smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000052102543 214118293 /nfs/dbraw/zinc/11/82/93/214118293.db2.gz GPHMJNNZWCLSMQ-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000052102543 214118298 /nfs/dbraw/zinc/11/82/98/214118298.db2.gz GPHMJNNZWCLSMQ-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP CN(CCC[NH+](C)C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000557664790 306232551 /nfs/dbraw/zinc/23/25/51/306232551.db2.gz NWRIMJMNVXSHSS-SFHVURJKSA-N 2 2 332.492 1.385 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000359306354 282221277 /nfs/dbraw/zinc/22/12/77/282221277.db2.gz ZRKFPTOSWMCBGS-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000359306354 282221279 /nfs/dbraw/zinc/22/12/79/282221279.db2.gz ZRKFPTOSWMCBGS-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000174884928 529776093 /nfs/dbraw/zinc/77/60/93/529776093.db2.gz UMMSUHAENRSZRC-MSOLQXFVSA-N 2 2 330.476 1.315 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000174884928 529776094 /nfs/dbraw/zinc/77/60/94/529776094.db2.gz UMMSUHAENRSZRC-MSOLQXFVSA-N 2 2 330.476 1.315 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329736664 539461287 /nfs/dbraw/zinc/46/12/87/539461287.db2.gz LPMWMEXPCHADMI-GOSISDBHSA-N 2 2 340.427 1.478 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@@H]1C ZINC000649325091 452004443 /nfs/dbraw/zinc/00/44/43/452004443.db2.gz IQOQJXMTSSVRLE-WFASDCNBSA-N 2 2 325.840 1.519 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@@H]1C ZINC000649325091 452004451 /nfs/dbraw/zinc/00/44/51/452004451.db2.gz IQOQJXMTSSVRLE-WFASDCNBSA-N 2 2 325.840 1.519 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000560505721 306272566 /nfs/dbraw/zinc/27/25/66/306272566.db2.gz TVWVRAKFFQFFSA-LJQANCHMSA-N 2 2 342.443 1.308 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000412355564 304000592 /nfs/dbraw/zinc/00/05/92/304000592.db2.gz BNGPLAKPKGSOAV-INIZCTEOSA-N 2 2 347.459 1.363 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000412355564 304000594 /nfs/dbraw/zinc/00/05/94/304000594.db2.gz BNGPLAKPKGSOAV-INIZCTEOSA-N 2 2 347.459 1.363 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000561147212 306282800 /nfs/dbraw/zinc/28/28/00/306282800.db2.gz PDNNAXIFUPZTDW-IYBDPMFKSA-N 2 2 341.459 1.986 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)[nH+]c1 ZINC000151180604 539745374 /nfs/dbraw/zinc/74/53/74/539745374.db2.gz YGMMCPNMHAZMDJ-HUUCEWRRSA-N 2 2 335.452 1.210 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)[nH+]c1 ZINC000151180604 539745378 /nfs/dbraw/zinc/74/53/78/539745378.db2.gz YGMMCPNMHAZMDJ-HUUCEWRRSA-N 2 2 335.452 1.210 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000103508505 219309593 /nfs/dbraw/zinc/30/95/93/219309593.db2.gz UVWWBCDPRIPAKB-UHFFFAOYSA-N 2 2 329.448 1.860 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000562369856 306296737 /nfs/dbraw/zinc/29/67/37/306296737.db2.gz YNNIYSNUTGJECJ-INIZCTEOSA-N 2 2 330.432 1.752 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000562369856 306296738 /nfs/dbraw/zinc/29/67/38/306296738.db2.gz YNNIYSNUTGJECJ-INIZCTEOSA-N 2 2 330.432 1.752 20 0 EDADLP Cc1cccn2cc(CCNC(=O)[C@H](C)[NH+]3CCSCC3)[nH+]c12 ZINC000153252114 539859439 /nfs/dbraw/zinc/85/94/39/539859439.db2.gz ABAWDTIEUKCJRC-AWEZNQCLSA-N 2 2 332.473 1.739 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000562796671 306309494 /nfs/dbraw/zinc/30/94/94/306309494.db2.gz DTKIWMHPEKRNHF-KRWDZBQOSA-N 2 2 346.475 1.283 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000562796671 306309495 /nfs/dbraw/zinc/30/94/95/306309495.db2.gz DTKIWMHPEKRNHF-KRWDZBQOSA-N 2 2 346.475 1.283 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000563203303 306323251 /nfs/dbraw/zinc/32/32/51/306323251.db2.gz TYDYPTAVGYJBPZ-HOTGVXAUSA-N 2 2 332.448 1.016 20 0 EDADLP Cc1cc(NC(=O)CC[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)no1 ZINC000183787823 235226537 /nfs/dbraw/zinc/22/65/37/235226537.db2.gz JTFWWTJPONGZQM-UHFFFAOYSA-N 2 2 330.392 1.232 20 0 EDADLP c1ccc(N2CCO[C@H](C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000563349588 306328954 /nfs/dbraw/zinc/32/89/54/306328954.db2.gz HPLZJOFYWLWMBZ-UYAOXDASSA-N 2 2 345.487 1.546 20 0 EDADLP c1ccc(N2CCO[C@H](C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000563349588 306328955 /nfs/dbraw/zinc/32/89/55/306328955.db2.gz HPLZJOFYWLWMBZ-UYAOXDASSA-N 2 2 345.487 1.546 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000413055165 304052949 /nfs/dbraw/zinc/05/29/49/304052949.db2.gz AGRVYCYMZIYWNP-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP C[N@H+](CCCNC(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000075529644 138242754 /nfs/dbraw/zinc/24/27/54/138242754.db2.gz LAXNQUZLEPNSDB-UHFFFAOYSA-N 2 2 326.485 1.272 20 0 EDADLP C[N@@H+](CCCNC(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000075529644 138242755 /nfs/dbraw/zinc/24/27/55/138242755.db2.gz LAXNQUZLEPNSDB-UHFFFAOYSA-N 2 2 326.485 1.272 20 0 EDADLP CC(C)(CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000563560076 306338884 /nfs/dbraw/zinc/33/88/84/306338884.db2.gz VRQVJTJALMBHFD-DLBZAZTESA-N 2 2 346.475 1.152 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090553747 138279558 /nfs/dbraw/zinc/27/95/58/138279558.db2.gz SWZWHLTYHRCWHH-OIISXLGYSA-N 2 2 349.479 1.380 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090553747 138279559 /nfs/dbraw/zinc/27/95/59/138279559.db2.gz SWZWHLTYHRCWHH-OIISXLGYSA-N 2 2 349.479 1.380 20 0 EDADLP COCCCC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000093159870 138292373 /nfs/dbraw/zinc/29/23/73/138292373.db2.gz CNOSQUPNVMRQFE-UHFFFAOYSA-N 2 2 333.476 1.689 20 0 EDADLP COCCCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000093159870 138292374 /nfs/dbraw/zinc/29/23/74/138292374.db2.gz CNOSQUPNVMRQFE-UHFFFAOYSA-N 2 2 333.476 1.689 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112212398 138309082 /nfs/dbraw/zinc/30/90/82/138309082.db2.gz HEERRMFCMFMFBI-MRXNPFEDSA-N 2 2 335.452 1.027 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCOc2ccc(F)cc2)CC[N@@H+]1C ZINC000124031123 138323273 /nfs/dbraw/zinc/32/32/73/138323273.db2.gz GWXPWDRQOHALKK-GDBMZVCRSA-N 2 2 337.439 1.735 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCOc2ccc(F)cc2)CC[N@H+]1C ZINC000124031123 138323274 /nfs/dbraw/zinc/32/32/74/138323274.db2.gz GWXPWDRQOHALKK-GDBMZVCRSA-N 2 2 337.439 1.735 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCCOc2ccc(F)cc2)CC[NH+]1C ZINC000124031123 138323275 /nfs/dbraw/zinc/32/32/75/138323275.db2.gz GWXPWDRQOHALKK-GDBMZVCRSA-N 2 2 337.439 1.735 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCOc2ccc(F)cc2)CC[NH+]1C ZINC000124031123 138323276 /nfs/dbraw/zinc/32/32/76/138323276.db2.gz GWXPWDRQOHALKK-GDBMZVCRSA-N 2 2 337.439 1.735 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000130399567 138341257 /nfs/dbraw/zinc/34/12/57/138341257.db2.gz IOXPFQIBSBAQOQ-UHFFFAOYSA-N 2 2 330.432 1.872 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000130399567 138341258 /nfs/dbraw/zinc/34/12/58/138341258.db2.gz IOXPFQIBSBAQOQ-UHFFFAOYSA-N 2 2 330.432 1.872 20 0 EDADLP O[C@H](COCc1cccs1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131563026 138361722 /nfs/dbraw/zinc/36/17/22/138361722.db2.gz FUKMGCVPEHNGGL-CVEARBPZSA-N 2 2 340.489 1.280 20 0 EDADLP O[C@H](COCc1cccs1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131563026 138361725 /nfs/dbraw/zinc/36/17/25/138361725.db2.gz FUKMGCVPEHNGGL-CVEARBPZSA-N 2 2 340.489 1.280 20 0 EDADLP Fc1cccc(OCC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000563673955 306344746 /nfs/dbraw/zinc/34/47/46/306344746.db2.gz WVANYRHLBNHLCS-UHFFFAOYSA-N 2 2 345.422 1.779 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)CCCO1 ZINC000563698419 306345412 /nfs/dbraw/zinc/34/54/12/306345412.db2.gz WRMAMCNKKJZDNP-IBGZPJMESA-N 2 2 345.487 1.517 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)CCCO1 ZINC000563698419 306345413 /nfs/dbraw/zinc/34/54/13/306345413.db2.gz WRMAMCNKKJZDNP-IBGZPJMESA-N 2 2 345.487 1.517 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000563854479 306349926 /nfs/dbraw/zinc/34/99/26/306349926.db2.gz LCXRKAQFBYCZHV-OAGGEKHMSA-N 2 2 332.448 1.205 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000367763745 283320491 /nfs/dbraw/zinc/32/04/91/283320491.db2.gz PUVXAFIIMGZVJH-OKZBNKHCSA-N 2 2 329.444 1.059 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000367763745 283320494 /nfs/dbraw/zinc/32/04/94/283320494.db2.gz PUVXAFIIMGZVJH-OKZBNKHCSA-N 2 2 329.444 1.059 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc3c(c2)OCO3)CC1 ZINC000177131369 138723552 /nfs/dbraw/zinc/72/35/52/138723552.db2.gz ZILPJUXCZCQAIF-UHFFFAOYSA-N 2 2 333.432 1.100 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCOc2ccc(F)cc2)C[C@@H](C)O1 ZINC000564847078 306367195 /nfs/dbraw/zinc/36/71/95/306367195.db2.gz XRDCRCMMRFLOTR-BFYDXBDKSA-N 2 2 340.439 1.654 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000565156689 306376423 /nfs/dbraw/zinc/37/64/23/306376423.db2.gz LIURMXANVUWZBZ-ZBFHGGJFSA-N 2 2 346.475 1.919 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000565156689 306376424 /nfs/dbraw/zinc/37/64/24/306376424.db2.gz LIURMXANVUWZBZ-ZBFHGGJFSA-N 2 2 346.475 1.919 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(C)[nH+]1 ZINC000190026039 238180261 /nfs/dbraw/zinc/18/02/61/238180261.db2.gz RUSIHLQGOPSZFY-OAHLLOKOSA-N 2 2 330.432 1.724 20 0 EDADLP CCc1nnsc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050800904 201125861 /nfs/dbraw/zinc/12/58/61/201125861.db2.gz WYTUHCRYJMQWLJ-UHFFFAOYSA-N 2 2 337.493 1.389 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000290367758 201339203 /nfs/dbraw/zinc/33/92/03/201339203.db2.gz REZWSKPNBAULGL-CRAIPNDOSA-N 2 2 331.460 1.523 20 0 EDADLP C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152426524 201391126 /nfs/dbraw/zinc/39/11/26/201391126.db2.gz MXHOCACCRWMWDJ-HNNXBMFYSA-N 2 2 340.489 1.743 20 0 EDADLP C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152426524 201391130 /nfs/dbraw/zinc/39/11/30/201391130.db2.gz MXHOCACCRWMWDJ-HNNXBMFYSA-N 2 2 340.489 1.743 20 0 EDADLP C[NH+](CCOc1cccc(S(C)(=O)=O)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152426524 201391134 /nfs/dbraw/zinc/39/11/34/201391134.db2.gz MXHOCACCRWMWDJ-HNNXBMFYSA-N 2 2 340.489 1.743 20 0 EDADLP C[NH+](CCOc1cccc(S(C)(=O)=O)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152426524 201391137 /nfs/dbraw/zinc/39/11/37/201391137.db2.gz MXHOCACCRWMWDJ-HNNXBMFYSA-N 2 2 340.489 1.743 20 0 EDADLP C[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[NH+]1CCN(C)CC1 ZINC000566066253 306397596 /nfs/dbraw/zinc/39/75/96/306397596.db2.gz JAOUOCPYOLHITM-AEFFLSMTSA-N 2 2 338.540 1.816 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H]([C@H](C)O)C2)CC1 ZINC000414595500 304125241 /nfs/dbraw/zinc/12/52/41/304125241.db2.gz TUBOHOPSLMBUIO-PXNSSMCTSA-N 2 2 347.503 1.800 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H]([C@H](C)O)C2)CC1 ZINC000414595500 304125243 /nfs/dbraw/zinc/12/52/43/304125243.db2.gz TUBOHOPSLMBUIO-PXNSSMCTSA-N 2 2 347.503 1.800 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000566249200 306406273 /nfs/dbraw/zinc/40/62/73/306406273.db2.gz NDXYYNOIPMUQRL-KRWDZBQOSA-N 2 2 344.459 1.431 20 0 EDADLP CCCn1c(C)nnc1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367621743 284129029 /nfs/dbraw/zinc/12/90/29/284129029.db2.gz CRGUQEYTZAKCBA-QGZVFWFLSA-N 2 2 334.512 1.456 20 0 EDADLP CCCn1c(C)nnc1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367621743 284129030 /nfs/dbraw/zinc/12/90/30/284129030.db2.gz CRGUQEYTZAKCBA-QGZVFWFLSA-N 2 2 334.512 1.456 20 0 EDADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC(=O)NCc1ccccc1 ZINC000072758830 203243029 /nfs/dbraw/zinc/24/30/29/203243029.db2.gz HCKUAUWXNBNWME-QGZVFWFLSA-N 2 2 346.475 1.819 20 0 EDADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC(=O)NCc1ccccc1 ZINC000072758830 203243032 /nfs/dbraw/zinc/24/30/32/203243032.db2.gz HCKUAUWXNBNWME-QGZVFWFLSA-N 2 2 346.475 1.819 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC(=O)NCc1ccccc1 ZINC000072758830 203243034 /nfs/dbraw/zinc/24/30/34/203243034.db2.gz HCKUAUWXNBNWME-QGZVFWFLSA-N 2 2 346.475 1.819 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC(=O)NCc1ccccc1 ZINC000072758830 203243036 /nfs/dbraw/zinc/24/30/36/203243036.db2.gz HCKUAUWXNBNWME-QGZVFWFLSA-N 2 2 346.475 1.819 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000073599449 203269268 /nfs/dbraw/zinc/26/92/68/203269268.db2.gz UAVPDVOSVBDECK-MJQMVNBJSA-N 2 2 345.487 1.875 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000073599449 203269271 /nfs/dbraw/zinc/26/92/71/203269271.db2.gz UAVPDVOSVBDECK-MJQMVNBJSA-N 2 2 345.487 1.875 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000073599449 203269275 /nfs/dbraw/zinc/26/92/75/203269275.db2.gz UAVPDVOSVBDECK-MJQMVNBJSA-N 2 2 345.487 1.875 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000073599449 203269279 /nfs/dbraw/zinc/26/92/79/203269279.db2.gz UAVPDVOSVBDECK-MJQMVNBJSA-N 2 2 345.487 1.875 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCSc2ccccc2F)CC1 ZINC000076648643 203360690 /nfs/dbraw/zinc/36/06/90/203360690.db2.gz XQVZBHUDIKEOHU-UHFFFAOYSA-N 2 2 325.453 1.624 20 0 EDADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000415090109 304158420 /nfs/dbraw/zinc/15/84/20/304158420.db2.gz ZYFUEUJKTXYVLK-UHFFFAOYSA-N 3 2 333.476 1.487 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000104790304 204119852 /nfs/dbraw/zinc/11/98/52/204119852.db2.gz YYAMBTNYSSTKJV-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000104790304 204119856 /nfs/dbraw/zinc/11/98/56/204119856.db2.gz YYAMBTNYSSTKJV-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000104790304 204119860 /nfs/dbraw/zinc/11/98/60/204119860.db2.gz YYAMBTNYSSTKJV-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000104790304 204119865 /nfs/dbraw/zinc/11/98/65/204119865.db2.gz YYAMBTNYSSTKJV-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000104779899 204121112 /nfs/dbraw/zinc/12/11/12/204121112.db2.gz UDKCTJXHVJMDCL-CRAIPNDOSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000104779899 204121117 /nfs/dbraw/zinc/12/11/17/204121117.db2.gz UDKCTJXHVJMDCL-CRAIPNDOSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000104779899 204121122 /nfs/dbraw/zinc/12/11/22/204121122.db2.gz UDKCTJXHVJMDCL-CRAIPNDOSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000104779899 204121124 /nfs/dbraw/zinc/12/11/24/204121124.db2.gz UDKCTJXHVJMDCL-CRAIPNDOSA-N 2 2 346.475 1.063 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3ccccc3F)C2)CC1 ZINC000107369188 204233153 /nfs/dbraw/zinc/23/31/53/204233153.db2.gz VRBABXFOWZHRPC-QGZVFWFLSA-N 2 2 348.466 1.154 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3ccccc3F)C2)CC1 ZINC000107369188 204233156 /nfs/dbraw/zinc/23/31/56/204233156.db2.gz VRBABXFOWZHRPC-QGZVFWFLSA-N 2 2 348.466 1.154 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415134747 304162892 /nfs/dbraw/zinc/16/28/92/304162892.db2.gz PLEAVIODJXNAMA-MJGOQNOKSA-N 4 2 330.520 1.958 20 0 EDADLP OCC[C@]1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOC1 ZINC000119795891 204307778 /nfs/dbraw/zinc/30/77/78/204307778.db2.gz VDPCXCUISGHXLF-QGZVFWFLSA-N 2 2 340.387 1.412 20 0 EDADLP C[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000195222640 139010657 /nfs/dbraw/zinc/01/06/57/139010657.db2.gz SBOGBZLDDZSWRC-HRCADAONSA-N 2 2 346.450 1.014 20 0 EDADLP [NH3+]CC1(O)CC[NH+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000415145652 304164654 /nfs/dbraw/zinc/16/46/54/304164654.db2.gz WYHIDMDEFCPGDT-UHFFFAOYSA-N 2 2 339.802 1.345 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H](C)C1 ZINC000337355123 296186330 /nfs/dbraw/zinc/18/63/30/296186330.db2.gz BYJNJKQAAMBWSO-DLBZAZTESA-N 2 2 328.460 1.818 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H](C)C1 ZINC000337355123 296186331 /nfs/dbraw/zinc/18/63/31/296186331.db2.gz BYJNJKQAAMBWSO-DLBZAZTESA-N 2 2 328.460 1.818 20 0 EDADLP C[C@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)C[NH+]1CCCC1 ZINC000110637733 220051222 /nfs/dbraw/zinc/05/12/22/220051222.db2.gz JMCWXZHFWJUUFN-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP COCC[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000237163317 139042723 /nfs/dbraw/zinc/04/27/23/139042723.db2.gz HVWJNYFOLNXCNI-OAHLLOKOSA-N 2 2 335.448 1.136 20 0 EDADLP CN1CC[NH+]([C@H](C(=O)N2CCC(C[NH3+])CC2)c2ccccc2)CC1 ZINC000237230261 139045057 /nfs/dbraw/zinc/04/50/57/139045057.db2.gz HPYDLIOIZCHRRK-SFHVURJKSA-N 2 2 330.476 1.172 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000237315929 139047583 /nfs/dbraw/zinc/04/75/83/139047583.db2.gz PZFGRIGUUAWPKV-HNNXBMFYSA-N 2 2 332.473 1.671 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000237311661 139047426 /nfs/dbraw/zinc/04/74/26/139047426.db2.gz PLBDGXKEIJFCOC-HNAYVOBHSA-N 2 2 331.460 1.900 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000247374869 284343102 /nfs/dbraw/zinc/34/31/02/284343102.db2.gz SOMSMKIHCKPOTI-JYJNAYRXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000247374869 284343104 /nfs/dbraw/zinc/34/31/04/284343104.db2.gz SOMSMKIHCKPOTI-JYJNAYRXSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115549271 205059502 /nfs/dbraw/zinc/05/95/02/205059502.db2.gz PWCHDRHPBGJAPQ-MRXNPFEDSA-N 2 2 325.497 1.412 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115549271 205059507 /nfs/dbraw/zinc/05/95/07/205059507.db2.gz PWCHDRHPBGJAPQ-MRXNPFEDSA-N 2 2 325.497 1.412 20 0 EDADLP C[C@@H](CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[C@H]1CCC[NH2+]C1 ZINC000237389528 139049908 /nfs/dbraw/zinc/04/99/08/139049908.db2.gz IAGFHEBVWPDBQE-STQMWFEESA-N 2 2 337.468 1.508 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c[nH+]2)C[C@@H](C)O1 ZINC000237441463 139051322 /nfs/dbraw/zinc/05/13/22/139051322.db2.gz USKSWQBMOQOCKM-MUIFIZLQSA-N 2 2 346.475 1.829 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241464 220122082 /nfs/dbraw/zinc/12/20/82/220122082.db2.gz DLCLRGHFDHYDMN-UHFFFAOYSA-N 2 2 333.480 1.279 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131830964 205304696 /nfs/dbraw/zinc/30/46/96/205304696.db2.gz IHJMBYJKUNAOBL-HNNXBMFYSA-N 2 2 345.422 1.667 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000131120793 205275102 /nfs/dbraw/zinc/27/51/02/205275102.db2.gz RBACIHKWJNOCQH-UHFFFAOYSA-N 2 2 349.866 1.655 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c[nH+]2)C[C@H](C)O1 ZINC000237662041 139057199 /nfs/dbraw/zinc/05/71/99/139057199.db2.gz USKSWQBMOQOCKM-YALNPMBYSA-N 2 2 346.475 1.829 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245505212 139077132 /nfs/dbraw/zinc/07/71/32/139077132.db2.gz FTAKESWFPSLMSJ-CVEARBPZSA-N 2 2 331.464 1.691 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2ccccn2)C1 ZINC000245691682 139083253 /nfs/dbraw/zinc/08/32/53/139083253.db2.gz LVTNHMCUQFVPEB-IAGOWNOFSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2ccccn2)C1 ZINC000245691682 139083254 /nfs/dbraw/zinc/08/32/54/139083254.db2.gz LVTNHMCUQFVPEB-IAGOWNOFSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H](C)c2ccccn2)C1 ZINC000245691682 139083255 /nfs/dbraw/zinc/08/32/55/139083255.db2.gz LVTNHMCUQFVPEB-IAGOWNOFSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)C1 ZINC000245691682 139083256 /nfs/dbraw/zinc/08/32/56/139083256.db2.gz LVTNHMCUQFVPEB-IAGOWNOFSA-N 2 2 348.491 1.547 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000155329098 206002084 /nfs/dbraw/zinc/00/20/84/206002084.db2.gz SEQSUZRSYXEAIB-UHFFFAOYSA-N 2 2 331.420 1.381 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1C(F)(F)F ZINC000157385538 206133369 /nfs/dbraw/zinc/13/33/69/206133369.db2.gz LATBIQXRNCIVSQ-UHFFFAOYSA-N 2 2 329.366 1.911 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(Cc4cccnc4)nn3)CC[C@H]21 ZINC000248482651 139166033 /nfs/dbraw/zinc/16/60/33/139166033.db2.gz IZAOHDGHFLMXAL-SJLPKXTDSA-N 2 2 326.448 1.638 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(Cc4cccnc4)nn3)CC[C@H]21 ZINC000248482651 139166034 /nfs/dbraw/zinc/16/60/34/139166034.db2.gz IZAOHDGHFLMXAL-SJLPKXTDSA-N 2 2 326.448 1.638 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(Cc4cccnc4)nn3)CC[C@H]21 ZINC000248482651 139166035 /nfs/dbraw/zinc/16/60/35/139166035.db2.gz IZAOHDGHFLMXAL-SJLPKXTDSA-N 2 2 326.448 1.638 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(Cc4cccnc4)nn3)CC[C@H]21 ZINC000248482651 139166036 /nfs/dbraw/zinc/16/60/36/139166036.db2.gz IZAOHDGHFLMXAL-SJLPKXTDSA-N 2 2 326.448 1.638 20 0 EDADLP CC(=O)Nc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000093046765 218189064 /nfs/dbraw/zinc/18/90/64/218189064.db2.gz PZVJLPUBFJPOOD-UHFFFAOYSA-N 2 2 344.459 1.385 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261551899 139208892 /nfs/dbraw/zinc/20/88/92/139208892.db2.gz MNCQUABSTAKABB-SFHVURJKSA-N 2 2 330.476 1.015 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261642340 139213824 /nfs/dbraw/zinc/21/38/24/139213824.db2.gz CEKUEAOZGCJXHN-MRXNPFEDSA-N 2 2 338.415 1.251 20 0 EDADLP CCc1nc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cs1 ZINC000261782927 139225575 /nfs/dbraw/zinc/22/55/75/139225575.db2.gz QDZJUBPZYMVDRG-UHFFFAOYSA-N 2 2 332.477 1.780 20 0 EDADLP [NH3+][C@H](C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCOCC1 ZINC000261818296 139228671 /nfs/dbraw/zinc/22/86/71/139228671.db2.gz PFRNBAHSIBQOFU-SFHVURJKSA-N 2 2 346.475 1.832 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000261843711 139230757 /nfs/dbraw/zinc/23/07/57/139230757.db2.gz QVMAYXNELNJBBD-APWZRJJASA-N 2 2 330.476 1.300 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000261843711 139230758 /nfs/dbraw/zinc/23/07/58/139230758.db2.gz QVMAYXNELNJBBD-APWZRJJASA-N 2 2 330.476 1.300 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)c[nH+]2)CC1 ZINC000261899182 139235095 /nfs/dbraw/zinc/23/50/95/139235095.db2.gz WGLGFARBGYZXKW-CVEARBPZSA-N 2 2 332.448 1.440 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000416019274 251048194 /nfs/dbraw/zinc/04/81/94/251048194.db2.gz XLHAQMJBJINADA-SFHVURJKSA-N 2 2 346.475 1.981 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000416019274 251048197 /nfs/dbraw/zinc/04/81/97/251048197.db2.gz XLHAQMJBJINADA-SFHVURJKSA-N 2 2 346.475 1.981 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000262242010 139262952 /nfs/dbraw/zinc/26/29/52/139262952.db2.gz PEONZNBXSPSANM-UHFFFAOYSA-N 2 2 338.455 1.802 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000416878826 251115593 /nfs/dbraw/zinc/11/55/93/251115593.db2.gz JRNLFYGZNUHLSD-YOEHRIQHSA-N 2 2 332.448 1.007 20 0 EDADLP [NH3+]C[C@H]1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416882923 251117534 /nfs/dbraw/zinc/11/75/34/251117534.db2.gz ASEGIOLCLLYGDL-NVXWUHKLSA-N 2 2 332.448 1.050 20 0 EDADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000416881782 251117737 /nfs/dbraw/zinc/11/77/37/251117737.db2.gz HRSNBJHYJGUNLR-HNNXBMFYSA-N 2 2 329.448 1.986 20 0 EDADLP CC[NH2+]CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416993841 251121094 /nfs/dbraw/zinc/12/10/94/251121094.db2.gz SRPIFUIGDQHWCX-OKILXGFUSA-N 2 2 335.452 1.104 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H]2C)[NH+]2CCOCC2)cc1 ZINC000417171782 251144106 /nfs/dbraw/zinc/14/41/06/251144106.db2.gz FCWPWDNEQMTWFF-NJAFHUGGSA-N 2 2 346.475 1.499 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417221953 251147621 /nfs/dbraw/zinc/14/76/21/251147621.db2.gz PEXHKMMSQJACEB-BDAKNGLRSA-N 2 2 340.225 1.632 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C[C@@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000262347687 139272043 /nfs/dbraw/zinc/27/20/43/139272043.db2.gz IQMIYDQMGGVYHV-BFYDXBDKSA-N 2 2 347.459 1.613 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[NH+]1CCC(C)CC1 ZINC000417311461 251154386 /nfs/dbraw/zinc/15/43/86/251154386.db2.gz LXONNRCUNPNFSD-KGLIPLIRSA-N 2 2 332.439 1.651 20 0 EDADLP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]([NH3+])COC)CC2)cs1 ZINC000262376672 139274432 /nfs/dbraw/zinc/27/44/32/139274432.db2.gz XIPGOMQLQNDKIS-CQSZACIVSA-N 2 2 340.493 1.007 20 0 EDADLP CS(=O)(=O)C1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC[NH2+]CC1 ZINC000262365695 139273521 /nfs/dbraw/zinc/27/35/21/139273521.db2.gz LATYPSFJMDHCMQ-UHFFFAOYSA-N 2 2 348.428 1.182 20 0 EDADLP [NH3+]CC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCOCC1 ZINC000262386753 139275305 /nfs/dbraw/zinc/27/53/05/139275305.db2.gz XMMIOSVSFNUEQP-UHFFFAOYSA-N 2 2 346.475 1.834 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417590194 251199501 /nfs/dbraw/zinc/19/95/01/251199501.db2.gz VVWDXGAVEQDDRF-RWMBFGLXSA-N 2 2 340.418 1.964 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417590194 251199505 /nfs/dbraw/zinc/19/95/05/251199505.db2.gz VVWDXGAVEQDDRF-RWMBFGLXSA-N 2 2 340.418 1.964 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417592874 251201879 /nfs/dbraw/zinc/20/18/79/251201879.db2.gz YOPKHGWLZCXNDL-QWHCGFSZSA-N 2 2 340.418 1.918 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417592874 251201883 /nfs/dbraw/zinc/20/18/83/251201883.db2.gz YOPKHGWLZCXNDL-QWHCGFSZSA-N 2 2 340.418 1.918 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417655713 251214411 /nfs/dbraw/zinc/21/44/11/251214411.db2.gz FRJXKNMRUCCMED-AWEZNQCLSA-N 2 2 328.407 1.866 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000417657725 251215577 /nfs/dbraw/zinc/21/55/77/251215577.db2.gz IALBQAKVNUOIAB-BXUZGUMPSA-N 2 2 326.391 1.476 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC[C@H]1[NH3+] ZINC000417660625 251217842 /nfs/dbraw/zinc/21/78/42/251217842.db2.gz NMSOQLFLPYPUFQ-DFBGVHRSSA-N 2 2 340.418 1.946 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000418426122 251367421 /nfs/dbraw/zinc/36/74/21/251367421.db2.gz LJYXNLVYMSIECY-HNNXBMFYSA-N 3 2 339.528 1.314 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000418426122 251367424 /nfs/dbraw/zinc/36/74/24/251367424.db2.gz LJYXNLVYMSIECY-HNNXBMFYSA-N 3 2 339.528 1.314 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000418701148 251387929 /nfs/dbraw/zinc/38/79/29/251387929.db2.gz CQNNCEZLCKLUKV-JSGCOSHPSA-N 2 2 341.406 1.452 20 0 EDADLP c1cn(-c2ccc(CN3CC[NH+](C4CCOCC4)CC3)cn2)c[nH+]1 ZINC000177365811 207326758 /nfs/dbraw/zinc/32/67/58/207326758.db2.gz WNUOARWQIQLFEW-UHFFFAOYSA-N 2 2 327.432 1.564 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000262798040 139304454 /nfs/dbraw/zinc/30/44/54/139304454.db2.gz DUPBHWSVSZDBLE-CZUORRHYSA-N 2 2 339.867 1.909 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262850904 139308006 /nfs/dbraw/zinc/30/80/06/139308006.db2.gz SGVNTCLOUMUIGX-RVKKMQEKSA-N 2 2 348.466 1.450 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422881674 252010344 /nfs/dbraw/zinc/01/03/44/252010344.db2.gz QZCFVDWDYWLCBB-MRAWALMUSA-N 2 2 330.432 1.361 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423066576 252032544 /nfs/dbraw/zinc/03/25/44/252032544.db2.gz XGRKRPPAUAQWEV-GBESFXJTSA-N 2 2 345.487 1.780 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423066576 252032548 /nfs/dbraw/zinc/03/25/48/252032548.db2.gz XGRKRPPAUAQWEV-GBESFXJTSA-N 2 2 345.487 1.780 20 0 EDADLP Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000423153362 252040160 /nfs/dbraw/zinc/04/01/60/252040160.db2.gz NGPJTVFVPYPULG-SUHUHFCYSA-N 2 2 343.269 1.429 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)CCC1 ZINC000423781371 252070644 /nfs/dbraw/zinc/07/06/44/252070644.db2.gz XNKLHGCIJRJZEE-UHFFFAOYSA-N 2 2 339.443 1.398 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423866561 252097438 /nfs/dbraw/zinc/09/74/38/252097438.db2.gz FPCLSTPMGGKCDL-AYBZRNKSSA-N 2 2 331.460 1.430 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2OC)C[C@@H]1[NH+]1CCOCC1 ZINC000423872047 252101537 /nfs/dbraw/zinc/10/15/37/252101537.db2.gz KOBJHGUEIONAIV-HFTRVMKXSA-N 2 2 347.459 1.264 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000424005899 252112911 /nfs/dbraw/zinc/11/29/11/252112911.db2.gz WKGBBKFVXWDSAB-IRXDYDNUSA-N 2 2 339.443 1.252 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000424005899 252112915 /nfs/dbraw/zinc/11/29/15/252112915.db2.gz WKGBBKFVXWDSAB-IRXDYDNUSA-N 2 2 339.443 1.252 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424045508 252123112 /nfs/dbraw/zinc/12/31/12/252123112.db2.gz QUCUOQMWDBVARR-ORPJZTTNSA-N 2 2 349.519 1.757 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424045508 252123116 /nfs/dbraw/zinc/12/31/16/252123116.db2.gz QUCUOQMWDBVARR-ORPJZTTNSA-N 2 2 349.519 1.757 20 0 EDADLP Cn1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424151316 252145568 /nfs/dbraw/zinc/14/55/68/252145568.db2.gz HEUDDFQCDKTPDP-AWEZNQCLSA-N 2 2 342.447 1.630 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000424332035 252198032 /nfs/dbraw/zinc/19/80/32/252198032.db2.gz KIDFDPOCQTVQGE-QZTJIDSGSA-N 2 2 341.459 1.391 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424388768 252206489 /nfs/dbraw/zinc/20/64/89/252206489.db2.gz ZNMRDAKWNQACQT-FUHWJXTLSA-N 2 2 333.476 1.482 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CN1CC[NH+]1CCOCC1 ZINC000246513620 296348217 /nfs/dbraw/zinc/34/82/17/296348217.db2.gz UFGKVZWRXYSATG-SQNIBIBYSA-N 2 2 335.492 1.478 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000263229840 139329733 /nfs/dbraw/zinc/32/97/33/139329733.db2.gz NGQIQXHTPQQVSL-DOTOQJQBSA-N 2 2 347.846 1.984 20 0 EDADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H](C)C1 ZINC000488723258 255050660 /nfs/dbraw/zinc/05/06/60/255050660.db2.gz QMDBYRUOVXZFMW-JYJNAYRXSA-N 2 2 331.464 1.480 20 0 EDADLP C[C@H]1C[C@@H]1[N@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H](C)C1 ZINC000488723258 255050661 /nfs/dbraw/zinc/05/06/61/255050661.db2.gz QMDBYRUOVXZFMW-JYJNAYRXSA-N 2 2 331.464 1.480 20 0 EDADLP C[NH+]1CCN([C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)c2cccs2)CC1 ZINC000493155785 255194004 /nfs/dbraw/zinc/19/40/04/255194004.db2.gz PIGGOUPAIYQZCD-ISZGNANSSA-N 2 2 345.472 1.589 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000493181511 255194883 /nfs/dbraw/zinc/19/48/83/255194883.db2.gz BMKJZQKZGMYYGS-VBROQKIQSA-N 2 2 338.249 1.564 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000493181511 255194884 /nfs/dbraw/zinc/19/48/84/255194884.db2.gz BMKJZQKZGMYYGS-VBROQKIQSA-N 2 2 338.249 1.564 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C[C@H]1C ZINC000494224523 255242463 /nfs/dbraw/zinc/24/24/63/255242463.db2.gz UDPKOEODGDTJSJ-PVAVHDDUSA-N 2 2 338.496 1.364 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C[C@H]1C ZINC000494224523 255242464 /nfs/dbraw/zinc/24/24/64/255242464.db2.gz UDPKOEODGDTJSJ-PVAVHDDUSA-N 2 2 338.496 1.364 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C[C@H]1C ZINC000494224523 255242465 /nfs/dbraw/zinc/24/24/65/255242465.db2.gz UDPKOEODGDTJSJ-PVAVHDDUSA-N 2 2 338.496 1.364 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C[C@H]1C ZINC000494224523 255242466 /nfs/dbraw/zinc/24/24/66/255242466.db2.gz UDPKOEODGDTJSJ-PVAVHDDUSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000494691076 255258053 /nfs/dbraw/zinc/25/80/53/255258053.db2.gz RCEAIHOIZAZWMD-MRXNPFEDSA-N 2 2 349.479 1.172 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000494691076 255258054 /nfs/dbraw/zinc/25/80/54/255258054.db2.gz RCEAIHOIZAZWMD-MRXNPFEDSA-N 2 2 349.479 1.172 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CC[C@@H](COC(F)F)C1)C[NH+]1CCC2CC1 ZINC000496485599 255397900 /nfs/dbraw/zinc/39/79/00/255397900.db2.gz HTSHEZXDJJWOCL-WBMJQRKESA-N 2 2 345.390 1.422 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CC[C@@H](COC(F)F)C1)C[NH+]1CCC2CC1 ZINC000496485599 255397901 /nfs/dbraw/zinc/39/79/01/255397901.db2.gz HTSHEZXDJJWOCL-WBMJQRKESA-N 2 2 345.390 1.422 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000118113739 221119849 /nfs/dbraw/zinc/11/98/49/221119849.db2.gz DZKBYVGZUTWFSL-AWEZNQCLSA-N 2 2 348.447 1.800 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000118113739 221119850 /nfs/dbraw/zinc/11/98/50/221119850.db2.gz DZKBYVGZUTWFSL-AWEZNQCLSA-N 2 2 348.447 1.800 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC000264122595 139381627 /nfs/dbraw/zinc/38/16/27/139381627.db2.gz MQDAIKACRTVSOW-MRXNPFEDSA-N 2 2 333.501 1.768 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC000264122595 139381628 /nfs/dbraw/zinc/38/16/28/139381628.db2.gz MQDAIKACRTVSOW-MRXNPFEDSA-N 2 2 333.501 1.768 20 0 EDADLP CCc1nn(C)c(CC)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119545783 221343993 /nfs/dbraw/zinc/34/39/93/221343993.db2.gz WXCXEURPUGJLHQ-UHFFFAOYSA-N 2 2 333.524 1.758 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000264306874 139395669 /nfs/dbraw/zinc/39/56/69/139395669.db2.gz YMJJIHPGUHOIAW-AWEZNQCLSA-N 2 2 342.509 1.570 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000264357407 139399820 /nfs/dbraw/zinc/39/98/20/139399820.db2.gz IVCLYGUTPITIPV-UHFFFAOYSA-N 2 2 340.851 2.000 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000264357407 139399821 /nfs/dbraw/zinc/39/98/21/139399821.db2.gz IVCLYGUTPITIPV-UHFFFAOYSA-N 2 2 340.851 2.000 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000270464318 140105090 /nfs/dbraw/zinc/10/50/90/140105090.db2.gz GRYGAXWYFCQJSF-WMZOPIPTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000270464318 140105091 /nfs/dbraw/zinc/10/50/91/140105091.db2.gz GRYGAXWYFCQJSF-WMZOPIPTSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000270929723 140201223 /nfs/dbraw/zinc/20/12/23/140201223.db2.gz DYWGYFVCLSCHJC-MRXNPFEDSA-N 2 2 346.475 1.656 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000271419999 140293668 /nfs/dbraw/zinc/29/36/68/140293668.db2.gz BPAHKIGLZXMFKD-AEFFLSMTSA-N 2 2 331.460 1.345 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)ccc2[nH+]1 ZINC000271526522 140307310 /nfs/dbraw/zinc/30/73/10/140307310.db2.gz DSGRKUDQVBQJQP-CYBMUJFWSA-N 2 2 343.431 1.572 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C)nc2)CC1 ZINC000271819568 140355593 /nfs/dbraw/zinc/35/55/93/140355593.db2.gz OWOKEZKJKTWAPB-UHFFFAOYSA-N 2 2 334.464 1.655 20 0 EDADLP C[C@@]1(CO)CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331462092 141033593 /nfs/dbraw/zinc/03/35/93/141033593.db2.gz NMIGHFXMDLRESL-LPHOPBHVSA-N 2 2 346.475 1.261 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331835203 141086868 /nfs/dbraw/zinc/08/68/68/141086868.db2.gz AQRYHOLTDYNKPP-NCOADZHNSA-N 2 2 347.507 1.872 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422852107 285663020 /nfs/dbraw/zinc/66/30/20/285663020.db2.gz AAEQXVLRBJYBJH-MRXNPFEDSA-N 3 2 325.497 1.629 20 0 EDADLP C[C@@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C[NH3+] ZINC000332528602 141196699 /nfs/dbraw/zinc/19/66/99/141196699.db2.gz GDRNFBSEWDAIHE-HUUCEWRRSA-N 2 2 331.464 1.677 20 0 EDADLP Cc1cc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000333656186 141351488 /nfs/dbraw/zinc/35/14/88/141351488.db2.gz ZWIBGGRDAJISDW-GUYCJALGSA-N 2 2 332.448 1.561 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339342516 142022397 /nfs/dbraw/zinc/02/23/97/142022397.db2.gz HBWPPDDPDNMJGF-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339342516 142022399 /nfs/dbraw/zinc/02/23/99/142022399.db2.gz HBWPPDDPDNMJGF-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP COC[C@@H](C(N)=O)[N@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000339362949 142027659 /nfs/dbraw/zinc/02/76/59/142027659.db2.gz UZSNUZQQIGMTDI-KRWDZBQOSA-N 2 2 332.448 1.947 20 0 EDADLP COC[C@@H](C(N)=O)[N@@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000339362949 142027660 /nfs/dbraw/zinc/02/76/60/142027660.db2.gz UZSNUZQQIGMTDI-KRWDZBQOSA-N 2 2 332.448 1.947 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H]1C ZINC000339572278 142080772 /nfs/dbraw/zinc/08/07/72/142080772.db2.gz CYHYQSFMNFFDTC-CVEARBPZSA-N 2 2 343.471 1.606 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H]1C ZINC000339572278 142080773 /nfs/dbraw/zinc/08/07/73/142080773.db2.gz CYHYQSFMNFFDTC-CVEARBPZSA-N 2 2 343.471 1.606 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](O)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000339775341 142151753 /nfs/dbraw/zinc/15/17/53/142151753.db2.gz FYWZBKOVQQPOBM-SFHVURJKSA-N 2 2 347.459 1.304 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](O)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000339775341 142151754 /nfs/dbraw/zinc/15/17/54/142151754.db2.gz FYWZBKOVQQPOBM-SFHVURJKSA-N 2 2 347.459 1.304 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000339911113 142197447 /nfs/dbraw/zinc/19/74/47/142197447.db2.gz CQSOBWDBGRMIRP-MNOVXSKESA-N 2 2 332.370 1.945 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000339911113 142197449 /nfs/dbraw/zinc/19/74/49/142197449.db2.gz CQSOBWDBGRMIRP-MNOVXSKESA-N 2 2 332.370 1.945 20 0 EDADLP CC(C)CCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340233460 142314588 /nfs/dbraw/zinc/31/45/88/142314588.db2.gz WIPCVMASPJUFKL-UHFFFAOYSA-N 2 2 340.512 1.023 20 0 EDADLP CC(C)CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340233460 142314590 /nfs/dbraw/zinc/31/45/90/142314590.db2.gz WIPCVMASPJUFKL-UHFFFAOYSA-N 2 2 340.512 1.023 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+][C@@H]3C)c[nH+]2)C[C@H](C)O1 ZINC000342686340 142745237 /nfs/dbraw/zinc/74/52/37/142745237.db2.gz AHUGFNOPLFWKQE-JYYAWHABSA-N 2 2 346.475 1.700 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)C1 ZINC000572484344 306590803 /nfs/dbraw/zinc/59/08/03/306590803.db2.gz TXBDHYKRVHMOCS-XOKHGSTOSA-N 2 2 335.423 1.408 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000345107615 143051310 /nfs/dbraw/zinc/05/13/10/143051310.db2.gz LBHHOTZQSOYCJM-BZUAXINKSA-N 2 2 334.443 1.597 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]2CCOCC2)c1 ZINC000345690861 143122105 /nfs/dbraw/zinc/12/21/05/143122105.db2.gz CGKATWWMTUDZNY-HUUCEWRRSA-N 2 2 341.402 1.467 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000345881842 143142981 /nfs/dbraw/zinc/14/29/81/143142981.db2.gz UNUGUVIKUMCKFX-INIZCTEOSA-N 2 2 340.512 1.214 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000345881842 143142982 /nfs/dbraw/zinc/14/29/82/143142982.db2.gz UNUGUVIKUMCKFX-INIZCTEOSA-N 2 2 340.512 1.214 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000345881842 143142983 /nfs/dbraw/zinc/14/29/83/143142983.db2.gz UNUGUVIKUMCKFX-INIZCTEOSA-N 2 2 340.512 1.214 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000345881842 143142984 /nfs/dbraw/zinc/14/29/84/143142984.db2.gz UNUGUVIKUMCKFX-INIZCTEOSA-N 2 2 340.512 1.214 20 0 EDADLP Cn1cc(CN2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)cn1 ZINC000346162587 143174033 /nfs/dbraw/zinc/17/40/33/143174033.db2.gz ZEFNCVNICDRZJZ-UHFFFAOYSA-N 2 2 342.472 1.985 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000346216352 143179938 /nfs/dbraw/zinc/17/99/38/143179938.db2.gz HTLARPSPLHEOPZ-XUWVNRHRSA-N 2 2 325.522 1.612 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000346216352 143179939 /nfs/dbraw/zinc/17/99/39/143179939.db2.gz HTLARPSPLHEOPZ-XUWVNRHRSA-N 2 2 325.522 1.612 20 0 EDADLP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000346296193 143188191 /nfs/dbraw/zinc/18/81/91/143188191.db2.gz VVFAFFGMRQUXQS-CHWSQXEVSA-N 2 2 337.386 1.240 20 0 EDADLP C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000346296197 143188290 /nfs/dbraw/zinc/18/82/90/143188290.db2.gz VVFAFFGMRQUXQS-QWHCGFSZSA-N 2 2 337.386 1.240 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000346827209 143249570 /nfs/dbraw/zinc/24/95/70/143249570.db2.gz FZYRCMHSCUSIDI-KURKYZTESA-N 2 2 336.524 1.108 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000346827209 143249571 /nfs/dbraw/zinc/24/95/71/143249571.db2.gz FZYRCMHSCUSIDI-KURKYZTESA-N 2 2 336.524 1.108 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H]([NH2+]CCCn2cc[nH+]c2)CC(=O)N1C1CC1 ZINC000346878165 143255188 /nfs/dbraw/zinc/25/51/88/143255188.db2.gz GZOLPXDKWVHVFC-YOEHRIQHSA-N 2 2 328.420 1.101 20 0 EDADLP O=C1C[C@H]([NH2+]CCCn2cc[nH+]c2)[C@H](c2cccnc2)N1C1CC1 ZINC000346879074 143255311 /nfs/dbraw/zinc/25/53/11/143255311.db2.gz OAYBNHAGLFXVMV-WMZOPIPTSA-N 2 2 325.416 1.762 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc(-c2ccncc2)s1 ZINC000347090366 143281451 /nfs/dbraw/zinc/28/14/51/143281451.db2.gz FUKMVUTUMGSYGA-UHFFFAOYSA-N 2 2 331.445 1.069 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc(-c2ccncc2)s1 ZINC000347090366 143281452 /nfs/dbraw/zinc/28/14/52/143281452.db2.gz FUKMVUTUMGSYGA-UHFFFAOYSA-N 2 2 331.445 1.069 20 0 EDADLP CN(C)[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]cn1C ZINC000347700254 143351531 /nfs/dbraw/zinc/35/15/31/143351531.db2.gz JINGSEYSBZWMMI-SFHVURJKSA-N 2 2 341.459 1.367 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000572824140 306599726 /nfs/dbraw/zinc/59/97/26/306599726.db2.gz DHNWSHWOPXZCLY-CALCHBBNSA-N 2 2 339.443 1.335 20 0 EDADLP CO[C@H](C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374793205 286002008 /nfs/dbraw/zinc/00/20/08/286002008.db2.gz KYSCWHDNIBFEOM-RBUKOAKNSA-N 2 2 333.476 1.322 20 0 EDADLP CO[C@H](C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374793205 286002010 /nfs/dbraw/zinc/00/20/10/286002010.db2.gz KYSCWHDNIBFEOM-RBUKOAKNSA-N 2 2 333.476 1.322 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416892938 304353479 /nfs/dbraw/zinc/35/34/79/304353479.db2.gz OVPCGBPSIHZFCI-PVAVHDDUSA-N 2 2 332.448 1.191 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416895967 304354075 /nfs/dbraw/zinc/35/40/75/304354075.db2.gz UVKURYKZBBJHAG-SJORKVTESA-N 2 2 334.464 1.342 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)[NH+]2CCOCC2)cc1 ZINC000417174142 292199625 /nfs/dbraw/zinc/19/96/25/292199625.db2.gz IIFXVYJPKSBDBB-ZWKOTPCHSA-N 2 2 348.491 1.651 20 0 EDADLP [NH3+]C[C@H](NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000416895641 304353904 /nfs/dbraw/zinc/35/39/04/304353904.db2.gz UEWHMMYDNSGNMM-DLBZAZTESA-N 2 2 332.448 1.096 20 0 EDADLP Fc1ccc(Cn2cc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000352694033 149119872 /nfs/dbraw/zinc/11/98/72/149119872.db2.gz OEOZPSCQJZQKKQ-IBGZPJMESA-N 2 2 343.450 1.550 20 0 EDADLP COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352736362 149137326 /nfs/dbraw/zinc/13/73/26/149137326.db2.gz LSDUAFGUNMNVQM-UONOGXRCSA-N 2 2 329.466 1.115 20 0 EDADLP COc1cccc(OC)c1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352756165 149151564 /nfs/dbraw/zinc/15/15/64/149151564.db2.gz ONZKXJSWHYZQFC-CQSZACIVSA-N 2 2 335.448 1.381 20 0 EDADLP COc1cccc(OC)c1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352756165 149151567 /nfs/dbraw/zinc/15/15/67/149151567.db2.gz ONZKXJSWHYZQFC-CQSZACIVSA-N 2 2 335.448 1.381 20 0 EDADLP C[C@@H]1CSC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352788903 149167060 /nfs/dbraw/zinc/16/70/60/149167060.db2.gz BAUFHZUHHCRDKJ-HUUCEWRRSA-N 2 2 334.489 1.461 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000416900758 304354751 /nfs/dbraw/zinc/35/47/51/304354751.db2.gz AQLMOEMEVJEHJT-HUBLWGQQSA-N 2 2 331.420 1.553 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000353122374 149296120 /nfs/dbraw/zinc/29/61/20/149296120.db2.gz GIEWILHBCWLPQW-QGZVFWFLSA-N 2 2 332.496 1.192 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000353122374 149296122 /nfs/dbraw/zinc/29/61/22/149296122.db2.gz GIEWILHBCWLPQW-QGZVFWFLSA-N 2 2 332.496 1.192 20 0 EDADLP CCCN1CCC[C@@H]1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000353122374 149296123 /nfs/dbraw/zinc/29/61/23/149296123.db2.gz GIEWILHBCWLPQW-QGZVFWFLSA-N 2 2 332.496 1.192 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000353283030 149351651 /nfs/dbraw/zinc/35/16/51/149351651.db2.gz OHLVNBVTXGMAAI-UHFFFAOYSA-N 2 2 337.374 1.874 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000353335148 149369500 /nfs/dbraw/zinc/36/95/00/149369500.db2.gz JAODGZOAUFYFGA-HUUCEWRRSA-N 2 2 344.459 1.960 20 0 EDADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)c(OC)c1OC ZINC000353360386 149379368 /nfs/dbraw/zinc/37/93/68/149379368.db2.gz HMSXKLIPONLHGM-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c(OC)c1OC ZINC000353360386 149379371 /nfs/dbraw/zinc/37/93/71/149379371.db2.gz HMSXKLIPONLHGM-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000416975346 304359149 /nfs/dbraw/zinc/35/91/49/304359149.db2.gz NVVHCFXJNLFLKQ-GDBMZVCRSA-N 2 2 331.464 1.999 20 0 EDADLP CN(CC[NH+](C)C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354908279 150025387 /nfs/dbraw/zinc/02/53/87/150025387.db2.gz HSWYMZXPFOVJMS-INIZCTEOSA-N 2 2 349.479 1.037 20 0 EDADLP CN(CC[NH+](C)C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354908279 150025388 /nfs/dbraw/zinc/02/53/88/150025388.db2.gz HSWYMZXPFOVJMS-INIZCTEOSA-N 2 2 349.479 1.037 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C1CCOCC1 ZINC000354947733 150048830 /nfs/dbraw/zinc/04/88/30/150048830.db2.gz OAJRDWIEXCMACQ-HOTGVXAUSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C1CCOCC1 ZINC000354947733 150048833 /nfs/dbraw/zinc/04/88/33/150048833.db2.gz OAJRDWIEXCMACQ-HOTGVXAUSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000416981344 304360908 /nfs/dbraw/zinc/36/09/08/304360908.db2.gz HAXFZHZWKRDVJK-CABCVRRESA-N 2 2 349.479 1.623 20 0 EDADLP CC[C@]1(C)COCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355049414 150091928 /nfs/dbraw/zinc/09/19/28/150091928.db2.gz HEINQCBEEXSYFD-PKOBYXMFSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@]1(C)COCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355049414 150091932 /nfs/dbraw/zinc/09/19/32/150091932.db2.gz HEINQCBEEXSYFD-PKOBYXMFSA-N 2 2 333.476 1.906 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417044853 304365842 /nfs/dbraw/zinc/36/58/42/304365842.db2.gz UHFSXUWNYQVXPS-RDJZCZTQSA-N 2 2 334.464 1.215 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000357625630 151090029 /nfs/dbraw/zinc/09/00/29/151090029.db2.gz IJBWGZFEEVLXGZ-RHSMWYFYSA-N 2 2 340.439 1.342 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000357625630 151090031 /nfs/dbraw/zinc/09/00/31/151090031.db2.gz IJBWGZFEEVLXGZ-RHSMWYFYSA-N 2 2 340.439 1.342 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644360 151097757 /nfs/dbraw/zinc/09/77/57/151097757.db2.gz HZVLUWGNPYSNOG-INIZCTEOSA-N 2 2 333.476 1.595 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644360 151097758 /nfs/dbraw/zinc/09/77/58/151097758.db2.gz HZVLUWGNPYSNOG-INIZCTEOSA-N 2 2 333.476 1.595 20 0 EDADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653271 151103273 /nfs/dbraw/zinc/10/32/73/151103273.db2.gz VSVPBQDULUGTOQ-OAHLLOKOSA-N 2 2 349.475 1.801 20 0 EDADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653271 151103277 /nfs/dbraw/zinc/10/32/77/151103277.db2.gz VSVPBQDULUGTOQ-OAHLLOKOSA-N 2 2 349.475 1.801 20 0 EDADLP CC(C)[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000357787505 151151510 /nfs/dbraw/zinc/15/15/10/151151510.db2.gz DDPKYXJJSPTSIN-DOTOQJQBSA-N 2 2 340.512 1.515 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](CCO)C3)CC2)c1 ZINC000357825235 151163016 /nfs/dbraw/zinc/16/30/16/151163016.db2.gz DMSCVJPSLTZGOI-GOSISDBHSA-N 2 2 345.487 1.344 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](CCO)C3)CC2)c1 ZINC000357825235 151163018 /nfs/dbraw/zinc/16/30/18/151163018.db2.gz DMSCVJPSLTZGOI-GOSISDBHSA-N 2 2 345.487 1.344 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC1 ZINC000357842772 151169577 /nfs/dbraw/zinc/16/95/77/151169577.db2.gz XFBKJVLOEJEWPJ-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC1 ZINC000357842772 151169578 /nfs/dbraw/zinc/16/95/78/151169578.db2.gz XFBKJVLOEJEWPJ-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000358034056 151242059 /nfs/dbraw/zinc/24/20/59/151242059.db2.gz YHQBOFXVMKQXHD-WMZOPIPTSA-N 2 2 333.476 1.906 20 0 EDADLP COc1cc2c(c(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)c1)O[C@@H](C)C2 ZINC000352540792 286250715 /nfs/dbraw/zinc/25/07/15/286250715.db2.gz PNEHMVBWCQJIIO-YOEHRIQHSA-N 2 2 331.460 1.498 20 0 EDADLP CSC1(CNC(=O)NCCNc2cccc[nH+]2)CC[NH+](C)CC1 ZINC000358408030 151365733 /nfs/dbraw/zinc/36/57/33/151365733.db2.gz GTZCPKLRRWOBMK-UHFFFAOYSA-N 2 2 337.493 1.620 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000362390673 292250844 /nfs/dbraw/zinc/25/08/44/292250844.db2.gz TVGRAAIFJOIEAJ-UHOSZYNNSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000362390673 292250845 /nfs/dbraw/zinc/25/08/45/292250845.db2.gz TVGRAAIFJOIEAJ-UHOSZYNNSA-N 2 2 345.487 1.682 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360543370 152087776 /nfs/dbraw/zinc/08/77/76/152087776.db2.gz HGXLGLXNVJQKNA-KRWDZBQOSA-N 2 2 338.473 1.544 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360543370 152087780 /nfs/dbraw/zinc/08/77/80/152087780.db2.gz HGXLGLXNVJQKNA-KRWDZBQOSA-N 2 2 338.473 1.544 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360560293 152095976 /nfs/dbraw/zinc/09/59/76/152095976.db2.gz FGZFSNISGCRXAJ-AUUYWEPGSA-N 2 2 347.459 1.566 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360560293 152095979 /nfs/dbraw/zinc/09/59/79/152095979.db2.gz FGZFSNISGCRXAJ-AUUYWEPGSA-N 2 2 347.459 1.566 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360563260 152097031 /nfs/dbraw/zinc/09/70/31/152097031.db2.gz ODTVTLREZZNBCE-QGZVFWFLSA-N 2 2 332.404 1.029 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360563260 152097035 /nfs/dbraw/zinc/09/70/35/152097035.db2.gz ODTVTLREZZNBCE-QGZVFWFLSA-N 2 2 332.404 1.029 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000360983977 152269880 /nfs/dbraw/zinc/26/98/80/152269880.db2.gz PEIXKBYUNQPCKD-UHFFFAOYSA-N 3 2 325.497 1.726 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(O)c1 ZINC000361123594 152312922 /nfs/dbraw/zinc/31/29/22/152312922.db2.gz GUGIDROBESPFRE-HOCLYGCPSA-N 2 2 346.475 1.921 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(O)c1 ZINC000361123594 152312923 /nfs/dbraw/zinc/31/29/23/152312923.db2.gz GUGIDROBESPFRE-HOCLYGCPSA-N 2 2 346.475 1.921 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2Cc3cccc(O)c3C2)CC1 ZINC000361137606 152317796 /nfs/dbraw/zinc/31/77/96/152317796.db2.gz ZKBWAHWYVHHRME-INIZCTEOSA-N 2 2 332.444 1.867 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)Cc2ccc(C)cc2)CC1 ZINC000361137460 152317826 /nfs/dbraw/zinc/31/78/26/152317826.db2.gz YJZBGKQKKDSZAP-IBGZPJMESA-N 2 2 348.487 1.906 20 0 EDADLP C[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@@H]2CCC[C@H]21 ZINC000361178031 152326808 /nfs/dbraw/zinc/32/68/08/152326808.db2.gz JZXXQQHYSOOZOX-GBESFXJTSA-N 2 2 342.487 1.903 20 0 EDADLP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@@H]2CCC[C@H]21 ZINC000361178031 152326812 /nfs/dbraw/zinc/32/68/12/152326812.db2.gz JZXXQQHYSOOZOX-GBESFXJTSA-N 2 2 342.487 1.903 20 0 EDADLP C[NH+]1CC[C@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)[C@@H]2CCC[C@H]21 ZINC000361178031 152326814 /nfs/dbraw/zinc/32/68/14/152326814.db2.gz JZXXQQHYSOOZOX-GBESFXJTSA-N 2 2 342.487 1.903 20 0 EDADLP C[NH+]1CC[C@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)[C@@H]2CCC[C@H]21 ZINC000361178031 152326816 /nfs/dbraw/zinc/32/68/16/152326816.db2.gz JZXXQQHYSOOZOX-GBESFXJTSA-N 2 2 342.487 1.903 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1OCC(=O)N(C)C ZINC000361207829 152335722 /nfs/dbraw/zinc/33/57/22/152335722.db2.gz BGEAEUIOVSRQKI-GDBMZVCRSA-N 2 2 337.464 1.117 20 0 EDADLP NC(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000361364470 152373135 /nfs/dbraw/zinc/37/31/35/152373135.db2.gz CBOONYMNBPMTOZ-UHFFFAOYSA-N 2 2 338.455 1.977 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3(C)C)CC2)c1 ZINC000361413376 152387353 /nfs/dbraw/zinc/38/73/53/152387353.db2.gz CULBDIAZJPEADH-SFHVURJKSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](O)C3(C)C)CC2)c1 ZINC000361413376 152387354 /nfs/dbraw/zinc/38/73/54/152387354.db2.gz CULBDIAZJPEADH-SFHVURJKSA-N 2 2 345.487 1.484 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H](C)OC)[C@@H]1CC12CC[NH2+]CC2 ZINC000370162839 155357680 /nfs/dbraw/zinc/35/76/80/155357680.db2.gz PQKJTDHGETYMHA-HUUCEWRRSA-N 2 2 334.464 1.799 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1 ZINC000417181219 304381446 /nfs/dbraw/zinc/38/14/46/304381446.db2.gz PKJLBQNSMNXFDX-MSOLQXFVSA-N 2 2 346.475 1.372 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)[NH+]2CCOCC2)cc1 ZINC000417181330 304381552 /nfs/dbraw/zinc/38/15/52/304381552.db2.gz POZWLKFGQDADAG-ZWKOTPCHSA-N 2 2 346.475 1.405 20 0 EDADLP COc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000363585076 153006080 /nfs/dbraw/zinc/00/60/80/153006080.db2.gz GNFJHIJGCLCOSL-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP COc1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000363585076 153006081 /nfs/dbraw/zinc/00/60/81/153006081.db2.gz GNFJHIJGCLCOSL-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP COCCC[N@@H+]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000363645161 153021451 /nfs/dbraw/zinc/02/14/51/153021451.db2.gz MZJLZFPSYCWNCQ-UHFFFAOYSA-N 2 2 343.431 1.452 20 0 EDADLP COCCC[N@H+]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000363645161 153021453 /nfs/dbraw/zinc/02/14/53/153021453.db2.gz MZJLZFPSYCWNCQ-UHFFFAOYSA-N 2 2 343.431 1.452 20 0 EDADLP Cc1ncsc1CC[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000363659381 153024490 /nfs/dbraw/zinc/02/44/90/153024490.db2.gz IJQAOXXAFVCORF-HOCLYGCPSA-N 2 2 338.521 1.331 20 0 EDADLP Cc1ncsc1CC[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000363659381 153024492 /nfs/dbraw/zinc/02/44/92/153024492.db2.gz IJQAOXXAFVCORF-HOCLYGCPSA-N 2 2 338.521 1.331 20 0 EDADLP Cc1ncsc1CC[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000363659381 153024494 /nfs/dbraw/zinc/02/44/94/153024494.db2.gz IJQAOXXAFVCORF-HOCLYGCPSA-N 2 2 338.521 1.331 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000363659381 153024495 /nfs/dbraw/zinc/02/44/95/153024495.db2.gz IJQAOXXAFVCORF-HOCLYGCPSA-N 2 2 338.521 1.331 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000363912993 153093660 /nfs/dbraw/zinc/09/36/60/153093660.db2.gz DEDTXRLIWWAYEJ-ZWKOTPCHSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000363912993 153093662 /nfs/dbraw/zinc/09/36/62/153093662.db2.gz DEDTXRLIWWAYEJ-ZWKOTPCHSA-N 2 2 343.475 1.536 20 0 EDADLP Cc1noc(C)c1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364277378 153194087 /nfs/dbraw/zinc/19/40/87/153194087.db2.gz BAOSAEPSFACBKQ-MRXNPFEDSA-N 2 2 349.479 1.601 20 0 EDADLP Cc1noc(C)c1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364277378 153194088 /nfs/dbraw/zinc/19/40/88/153194088.db2.gz BAOSAEPSFACBKQ-MRXNPFEDSA-N 2 2 349.479 1.601 20 0 EDADLP COc1cc[nH+]c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1OC ZINC000364543274 153264038 /nfs/dbraw/zinc/26/40/38/153264038.db2.gz VFPUHJURTPYXKV-YSVLISHTSA-N 2 2 335.448 1.782 20 0 EDADLP COc1ccnc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1OC ZINC000364543274 153264040 /nfs/dbraw/zinc/26/40/40/153264040.db2.gz VFPUHJURTPYXKV-YSVLISHTSA-N 2 2 335.448 1.782 20 0 EDADLP COc1ccnc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1OC ZINC000364543274 153264041 /nfs/dbraw/zinc/26/40/41/153264041.db2.gz VFPUHJURTPYXKV-YSVLISHTSA-N 2 2 335.448 1.782 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c[nH+]2)C[C@H](C)O1 ZINC000364557265 153270269 /nfs/dbraw/zinc/27/02/69/153270269.db2.gz DFUBKKWNAQKMHX-QMYADUOMSA-N 2 2 344.459 1.311 20 0 EDADLP C[C@@]([NH3+])(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000364778175 153330757 /nfs/dbraw/zinc/33/07/57/153330757.db2.gz DSRDEFMDFGFMRS-SFHVURJKSA-N 2 2 343.431 1.028 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)NC3CC3)[C@@H](C)C2)s1 ZINC000364893989 153362774 /nfs/dbraw/zinc/36/27/74/153362774.db2.gz JFOAZGISDULXRH-MKBNYLNASA-N 2 2 336.505 1.919 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)NC3CC3)[C@@H](C)C2)s1 ZINC000364893989 153362778 /nfs/dbraw/zinc/36/27/78/153362778.db2.gz JFOAZGISDULXRH-MKBNYLNASA-N 2 2 336.505 1.919 20 0 EDADLP COCc1noc([C@H](C)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000364914118 153367969 /nfs/dbraw/zinc/36/79/69/153367969.db2.gz CADXZBKIIIQLIC-KBPBESRZSA-N 2 2 337.468 1.377 20 0 EDADLP COCc1noc([C@H](C)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000364914118 153367973 /nfs/dbraw/zinc/36/79/73/153367973.db2.gz CADXZBKIIIQLIC-KBPBESRZSA-N 2 2 337.468 1.377 20 0 EDADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC[NH+](C)C)CC2)cc1 ZINC000365124660 153431739 /nfs/dbraw/zinc/43/17/39/153431739.db2.gz KVCIBULBACKYHF-UHFFFAOYSA-N 2 2 325.478 1.299 20 0 EDADLP COC(=O)c1occc1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367111459 154012071 /nfs/dbraw/zinc/01/20/71/154012071.db2.gz XRLUJYUZTHROBR-OAHLLOKOSA-N 2 2 335.448 1.526 20 0 EDADLP COC(=O)c1occc1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367111459 154012072 /nfs/dbraw/zinc/01/20/72/154012072.db2.gz XRLUJYUZTHROBR-OAHLLOKOSA-N 2 2 335.448 1.526 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000367116299 154013064 /nfs/dbraw/zinc/01/30/64/154013064.db2.gz AOVYHMARRFKSLV-GOSISDBHSA-N 2 2 344.503 1.893 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000367116299 154013068 /nfs/dbraw/zinc/01/30/68/154013068.db2.gz AOVYHMARRFKSLV-GOSISDBHSA-N 2 2 344.503 1.893 20 0 EDADLP Cc1ccncc1CCC[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367316248 154075830 /nfs/dbraw/zinc/07/58/30/154075830.db2.gz CGMSRQVDGXIIAR-IBGZPJMESA-N 2 2 332.492 1.319 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367316248 154075832 /nfs/dbraw/zinc/07/58/32/154075832.db2.gz CGMSRQVDGXIIAR-IBGZPJMESA-N 3 2 332.492 1.319 20 0 EDADLP Cc1[nH+]c(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)c2n1CCCC2 ZINC000367370817 154092907 /nfs/dbraw/zinc/09/29/07/154092907.db2.gz GXXSHDANUHWXDG-AWEZNQCLSA-N 2 2 342.447 1.891 20 0 EDADLP CCc1ncc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000367547427 154171954 /nfs/dbraw/zinc/17/19/54/154171954.db2.gz WBDYDMSDQQMHTE-CQSZACIVSA-N 2 2 346.479 1.671 20 0 EDADLP CCc1ncc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000367547427 154171958 /nfs/dbraw/zinc/17/19/58/154171958.db2.gz WBDYDMSDQQMHTE-CQSZACIVSA-N 2 2 346.479 1.671 20 0 EDADLP C[C@H]1CN(C(=O)NOCc2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367546348 154172008 /nfs/dbraw/zinc/17/20/08/154172008.db2.gz HCHZYHBEXRGGMB-INIZCTEOSA-N 2 2 346.475 1.928 20 0 EDADLP C[C@H]1CN(C(=O)NOCc2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367546348 154172011 /nfs/dbraw/zinc/17/20/11/154172011.db2.gz HCHZYHBEXRGGMB-INIZCTEOSA-N 2 2 346.475 1.928 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccc1F ZINC000367981111 154352776 /nfs/dbraw/zinc/35/27/76/154352776.db2.gz GNYROVFBCPWDKS-CRAIPNDOSA-N 2 2 349.450 1.800 20 0 EDADLP Cc1[nH+]c2n(c1CN1CCN(C(=O)/C=C/C[NH+](C)C)CC1)CCCC2 ZINC000367985014 154355686 /nfs/dbraw/zinc/35/56/86/154355686.db2.gz KARAFPWCXBQXEI-SOFGYWHQSA-N 2 2 345.491 1.290 20 0 EDADLP COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369393244 155011034 /nfs/dbraw/zinc/01/10/34/155011034.db2.gz LLCCUSWUJLEAQU-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP COc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369393244 155011038 /nfs/dbraw/zinc/01/10/38/155011038.db2.gz LLCCUSWUJLEAQU-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C2 ZINC000369527494 155071919 /nfs/dbraw/zinc/07/19/19/155071919.db2.gz MFRDYKABVUFVFY-UHFFFAOYSA-N 2 2 341.415 1.005 20 0 EDADLP COCCCN(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364998517 292329929 /nfs/dbraw/zinc/32/99/29/292329929.db2.gz SUJWVRWXNSLIFM-HNNXBMFYSA-N 2 2 326.485 1.175 20 0 EDADLP COCCCN(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364998517 292329931 /nfs/dbraw/zinc/32/99/31/292329931.db2.gz SUJWVRWXNSLIFM-HNNXBMFYSA-N 2 2 326.485 1.175 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000371663959 156053255 /nfs/dbraw/zinc/05/32/55/156053255.db2.gz FXYHYIZNQAQNJC-YLJYHZDGSA-N 2 2 345.487 1.569 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000371663959 156053258 /nfs/dbraw/zinc/05/32/58/156053258.db2.gz FXYHYIZNQAQNJC-YLJYHZDGSA-N 2 2 345.487 1.569 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cnoc3C3CC3)CC2)C1 ZINC000372256936 156291656 /nfs/dbraw/zinc/29/16/56/156291656.db2.gz WMPTVGAKFZLQSX-QGZVFWFLSA-N 2 2 334.464 1.390 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cnoc3C3CC3)CC2)C1 ZINC000372256936 156291660 /nfs/dbraw/zinc/29/16/60/156291660.db2.gz WMPTVGAKFZLQSX-QGZVFWFLSA-N 2 2 334.464 1.390 20 0 EDADLP C[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CCN1C1CC[NH+](C)CC1 ZINC000374259138 157217397 /nfs/dbraw/zinc/21/73/97/157217397.db2.gz ZCPLDNCSWYVNMN-OAHLLOKOSA-N 2 2 344.507 1.903 20 0 EDADLP CCc1nnc2ccc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)nn21 ZINC000374258676 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NQZYEUHXFWMQNK-RDJZCZTQSA-N 2 2 347.507 1.144 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377970941 158043303 /nfs/dbraw/zinc/04/33/03/158043303.db2.gz QYSCIZXDFRLLEJ-SFHVURJKSA-N 2 2 343.487 1.768 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000378147642 158091591 /nfs/dbraw/zinc/09/15/91/158091591.db2.gz GKIOSJZFZGFAGN-RTBURBONSA-N 2 2 343.471 1.518 20 0 EDADLP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000378330283 158142450 /nfs/dbraw/zinc/14/24/50/158142450.db2.gz GEJZTUZMCRDBNK-DOTOQJQBSA-N 2 2 336.432 1.631 20 0 EDADLP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000378330283 158142453 /nfs/dbraw/zinc/14/24/53/158142453.db2.gz GEJZTUZMCRDBNK-DOTOQJQBSA-N 2 2 336.432 1.631 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378364328 158153835 /nfs/dbraw/zinc/15/38/35/158153835.db2.gz BAXQLBYIKQCGMF-AWEZNQCLSA-N 2 2 344.459 1.026 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378364328 158153837 /nfs/dbraw/zinc/15/38/37/158153837.db2.gz BAXQLBYIKQCGMF-AWEZNQCLSA-N 2 2 344.459 1.026 20 0 EDADLP C[C@@H]1CN(C(=O)COCc2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378369622 158155803 /nfs/dbraw/zinc/15/58/03/158155803.db2.gz YRAJPWZCZHWUIV-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1CN(C(=O)COCc2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378369622 158155806 /nfs/dbraw/zinc/15/58/06/158155806.db2.gz YRAJPWZCZHWUIV-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP CCCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000378618736 158220303 /nfs/dbraw/zinc/22/03/03/158220303.db2.gz TWQYRKGPIWEBHY-QGZVFWFLSA-N 2 2 333.480 1.534 20 0 EDADLP CCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000378618736 158220305 /nfs/dbraw/zinc/22/03/05/158220305.db2.gz TWQYRKGPIWEBHY-QGZVFWFLSA-N 2 2 333.480 1.534 20 0 EDADLP COCC1(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC[NH2+]CC1 ZINC000576134881 306678742 /nfs/dbraw/zinc/67/87/42/306678742.db2.gz RLQKFWSBVRGAQF-AWEZNQCLSA-N 2 2 335.452 1.663 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000352217040 162056774 /nfs/dbraw/zinc/05/67/74/162056774.db2.gz MKHCJOLGYHXFFG-QGZVFWFLSA-N 2 2 333.501 1.985 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000352441291 162182962 /nfs/dbraw/zinc/18/29/62/162182962.db2.gz VQBVFGRKYWRPEI-YESZJQIVSA-N 2 2 335.492 1.573 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000352441291 162182966 /nfs/dbraw/zinc/18/29/66/162182966.db2.gz VQBVFGRKYWRPEI-YESZJQIVSA-N 2 2 335.492 1.573 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000352441288 162183034 /nfs/dbraw/zinc/18/30/34/162183034.db2.gz VQBVFGRKYWRPEI-BBWFWOEESA-N 2 2 335.492 1.573 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000352441288 162183037 /nfs/dbraw/zinc/18/30/37/162183037.db2.gz VQBVFGRKYWRPEI-BBWFWOEESA-N 2 2 335.492 1.573 20 0 EDADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352524204 162231000 /nfs/dbraw/zinc/23/10/00/162231000.db2.gz AIEPMCUFZQDKHE-CRAIPNDOSA-N 2 2 348.466 1.325 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000366557646 162392512 /nfs/dbraw/zinc/39/25/12/162392512.db2.gz JNQQUDJPJSWYQE-LJQANCHMSA-N 2 2 331.460 1.681 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000366557646 162392516 /nfs/dbraw/zinc/39/25/16/162392516.db2.gz JNQQUDJPJSWYQE-LJQANCHMSA-N 2 2 331.460 1.681 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000366557646 162392520 /nfs/dbraw/zinc/39/25/20/162392520.db2.gz JNQQUDJPJSWYQE-LJQANCHMSA-N 2 2 331.460 1.681 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000366557646 162392523 /nfs/dbraw/zinc/39/25/23/162392523.db2.gz JNQQUDJPJSWYQE-LJQANCHMSA-N 2 2 331.460 1.681 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000458305824 287188947 /nfs/dbraw/zinc/18/89/47/287188947.db2.gz DULPUUNPVVOIRO-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000458305824 287188949 /nfs/dbraw/zinc/18/89/49/287188949.db2.gz DULPUUNPVVOIRO-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000114830678 287343977 /nfs/dbraw/zinc/34/39/77/287343977.db2.gz CYGXNLHBFQCNSF-SJORKVTESA-N 2 2 345.491 1.812 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000114830678 287343980 /nfs/dbraw/zinc/34/39/80/287343980.db2.gz CYGXNLHBFQCNSF-SJORKVTESA-N 2 2 345.491 1.812 20 0 EDADLP C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000665719810 452285221 /nfs/dbraw/zinc/28/52/21/452285221.db2.gz WCWADJDMETZCPS-AWEZNQCLSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000418367066 304486807 /nfs/dbraw/zinc/48/68/07/304486807.db2.gz JZOFQNYFPHUJHC-OAHLLOKOSA-N 2 2 329.448 1.928 20 0 EDADLP CC1CC[NH+](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000127029578 287432401 /nfs/dbraw/zinc/43/24/01/287432401.db2.gz DCOHTERJFGLWQH-UHFFFAOYSA-N 2 2 345.491 1.641 20 0 EDADLP CN(C)c1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000122916282 222182799 /nfs/dbraw/zinc/18/27/99/222182799.db2.gz FXSWJXIIOWSLNY-UHFFFAOYSA-N 2 2 333.480 1.246 20 0 EDADLP CN(C)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000122916282 222182803 /nfs/dbraw/zinc/18/28/03/222182803.db2.gz FXSWJXIIOWSLNY-UHFFFAOYSA-N 2 2 333.480 1.246 20 0 EDADLP COCC[NH+]1CCC(NC(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000138629857 287585623 /nfs/dbraw/zinc/58/56/23/287585623.db2.gz JNXQMQIJSKZHMZ-UHFFFAOYSA-N 2 2 330.432 1.572 20 0 EDADLP [NH3+]CCCCNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418506303 304505322 /nfs/dbraw/zinc/50/53/22/304505322.db2.gz GNIDRAJAMGTGKM-OAHLLOKOSA-N 2 2 347.463 1.583 20 0 EDADLP CN(C)c1noc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000192790756 272986590 /nfs/dbraw/zinc/98/65/90/272986590.db2.gz UHCZMRGORFWZHV-UHFFFAOYSA-N 2 2 337.468 1.460 20 0 EDADLP CCN1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000273478276 268048466 /nfs/dbraw/zinc/04/84/66/268048466.db2.gz KRSZSLCKMHBVKB-UHFFFAOYSA-N 2 2 344.503 1.881 20 0 EDADLP CCN1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000273478276 268048469 /nfs/dbraw/zinc/04/84/69/268048469.db2.gz KRSZSLCKMHBVKB-UHFFFAOYSA-N 2 2 344.503 1.881 20 0 EDADLP Cn1cc[nH+]c1CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000274363744 268127673 /nfs/dbraw/zinc/12/76/73/268127673.db2.gz WKZNQEBHLWBHMI-GOSISDBHSA-N 2 2 339.399 1.117 20 0 EDADLP Cn1cc[nH+]c1CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000274363744 268127676 /nfs/dbraw/zinc/12/76/76/268127676.db2.gz WKZNQEBHLWBHMI-GOSISDBHSA-N 2 2 339.399 1.117 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000274719043 268190732 /nfs/dbraw/zinc/19/07/32/268190732.db2.gz UGLUISYHRLQYFC-KGLIPLIRSA-N 2 2 348.495 1.770 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000274719043 268190734 /nfs/dbraw/zinc/19/07/34/268190734.db2.gz UGLUISYHRLQYFC-KGLIPLIRSA-N 2 2 348.495 1.770 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972297 268253882 /nfs/dbraw/zinc/25/38/82/268253882.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 3 2 330.520 1.732 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972297 268253884 /nfs/dbraw/zinc/25/38/84/268253884.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 3 2 330.520 1.732 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972297 268253885 /nfs/dbraw/zinc/25/38/85/268253885.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 3 2 330.520 1.732 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972297 268253888 /nfs/dbraw/zinc/25/38/88/268253888.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 3 2 330.520 1.732 20 0 EDADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1O ZINC000275380431 268333614 /nfs/dbraw/zinc/33/36/14/268333614.db2.gz AZGUIODNIPQSIC-GOSISDBHSA-N 2 2 345.487 1.424 20 0 EDADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1O ZINC000275380431 268333616 /nfs/dbraw/zinc/33/36/16/268333616.db2.gz AZGUIODNIPQSIC-GOSISDBHSA-N 2 2 345.487 1.424 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000279178399 268794942 /nfs/dbraw/zinc/79/49/42/268794942.db2.gz JZIFMKAWFLPGMU-UHFFFAOYSA-N 2 2 328.416 1.491 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@H](C)C[NH+]3CCOCC3)c(C)n2n1 ZINC000091726966 272917118 /nfs/dbraw/zinc/91/71/18/272917118.db2.gz JSFDWLDVGASOJJ-ZFWWWQNUSA-N 2 2 331.464 1.965 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000277958618 273238673 /nfs/dbraw/zinc/23/86/73/273238673.db2.gz PLUDHHKKOHDVAP-KRWDZBQOSA-N 2 2 331.460 1.140 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000278898504 273268908 /nfs/dbraw/zinc/26/89/08/273268908.db2.gz RHQDTYLOXFFODE-HNNXBMFYSA-N 2 2 342.443 1.589 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000278898504 273268910 /nfs/dbraw/zinc/26/89/10/273268910.db2.gz RHQDTYLOXFFODE-HNNXBMFYSA-N 2 2 342.443 1.589 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278907127 273270108 /nfs/dbraw/zinc/27/01/08/273270108.db2.gz PZUCEBAPOPBHQD-GFCCVEGCSA-N 2 2 333.436 1.243 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279067182 273278012 /nfs/dbraw/zinc/27/80/12/273278012.db2.gz SXXCMUXNTUMOAO-ZDUSSCGKSA-N 2 2 338.415 1.575 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000279492291 273301962 /nfs/dbraw/zinc/30/19/62/273301962.db2.gz RRQKHFGTKQRWBU-UHFFFAOYSA-N 2 2 343.471 1.968 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000280638078 273380384 /nfs/dbraw/zinc/38/03/84/273380384.db2.gz DALVHWNEQBNLAU-UHFFFAOYSA-N 2 2 343.431 1.704 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000280638078 273380386 /nfs/dbraw/zinc/38/03/86/273380386.db2.gz DALVHWNEQBNLAU-UHFFFAOYSA-N 2 2 343.431 1.704 20 0 EDADLP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1Cc1ccccc1 ZINC000283954124 274024519 /nfs/dbraw/zinc/02/45/19/274024519.db2.gz BRCQSIKCTUGYIJ-IBGZPJMESA-N 2 2 344.503 1.009 20 0 EDADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1Cc1ccccc1 ZINC000283954124 274024520 /nfs/dbraw/zinc/02/45/20/274024520.db2.gz BRCQSIKCTUGYIJ-IBGZPJMESA-N 2 2 344.503 1.009 20 0 EDADLP C[NH+]1CCN(C(=O)CCN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000283954124 274024521 /nfs/dbraw/zinc/02/45/21/274024521.db2.gz BRCQSIKCTUGYIJ-IBGZPJMESA-N 2 2 344.503 1.009 20 0 EDADLP C[NH+]1CCN(C(=O)CCN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000283954124 274024522 /nfs/dbraw/zinc/02/45/22/274024522.db2.gz BRCQSIKCTUGYIJ-IBGZPJMESA-N 2 2 344.503 1.009 20 0 EDADLP NC(=O)NC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284295575 274150526 /nfs/dbraw/zinc/15/05/26/274150526.db2.gz YWCNFGDSYWUDAQ-GOSISDBHSA-N 2 2 346.475 1.410 20 0 EDADLP NC(=O)NC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284295575 274150527 /nfs/dbraw/zinc/15/05/27/274150527.db2.gz YWCNFGDSYWUDAQ-GOSISDBHSA-N 2 2 346.475 1.410 20 0 EDADLP CC[N@H+](CCOCCO)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284777975 274328167 /nfs/dbraw/zinc/32/81/67/274328167.db2.gz NDBVWKCRHGCQSH-LJQANCHMSA-N 2 2 336.476 1.608 20 0 EDADLP CC[N@@H+](CCOCCO)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284777975 274328168 /nfs/dbraw/zinc/32/81/68/274328168.db2.gz NDBVWKCRHGCQSH-LJQANCHMSA-N 2 2 336.476 1.608 20 0 EDADLP CC[NH+](CCOCCO)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284777975 274328169 /nfs/dbraw/zinc/32/81/69/274328169.db2.gz NDBVWKCRHGCQSH-LJQANCHMSA-N 2 2 336.476 1.608 20 0 EDADLP CC[NH+](CCOCCO)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284777975 274328170 /nfs/dbraw/zinc/32/81/70/274328170.db2.gz NDBVWKCRHGCQSH-LJQANCHMSA-N 2 2 336.476 1.608 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1csc(CC[NH3+])n1)C2 ZINC000194835300 276065913 /nfs/dbraw/zinc/06/59/13/276065913.db2.gz GBHRKSSDPOLCPB-UHFFFAOYSA-N 2 2 333.461 1.700 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)CCC(F)(F)F ZINC000359030542 276128113 /nfs/dbraw/zinc/12/81/13/276128113.db2.gz NBJBNGFLPDXBFL-LLVKDONJSA-N 2 2 347.385 1.841 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)CCC(F)(F)F ZINC000359030542 276128114 /nfs/dbraw/zinc/12/81/14/276128114.db2.gz NBJBNGFLPDXBFL-LLVKDONJSA-N 2 2 347.385 1.841 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)CCC(F)(F)F ZINC000359030542 276128115 /nfs/dbraw/zinc/12/81/15/276128115.db2.gz NBJBNGFLPDXBFL-LLVKDONJSA-N 2 2 347.385 1.841 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)CCC(F)(F)F ZINC000359030542 276128116 /nfs/dbraw/zinc/12/81/16/276128116.db2.gz NBJBNGFLPDXBFL-LLVKDONJSA-N 2 2 347.385 1.841 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3CC(C)(C)OC3=O)CC2)CC1 ZINC000497035865 276149847 /nfs/dbraw/zinc/14/98/47/276149847.db2.gz GVNNFZJMXXHBPX-UHFFFAOYSA-N 2 2 338.496 1.667 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3CC(C)(C)OC3=O)CC2)CC1 ZINC000497035865 276149848 /nfs/dbraw/zinc/14/98/48/276149848.db2.gz GVNNFZJMXXHBPX-UHFFFAOYSA-N 2 2 338.496 1.667 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3CC(C)(C)OC3=O)CC2)CC1 ZINC000497035865 276149849 /nfs/dbraw/zinc/14/98/49/276149849.db2.gz GVNNFZJMXXHBPX-UHFFFAOYSA-N 2 2 338.496 1.667 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3CC(C)(C)OC3=O)CC2)CC1 ZINC000497035865 276149850 /nfs/dbraw/zinc/14/98/50/276149850.db2.gz GVNNFZJMXXHBPX-UHFFFAOYSA-N 2 2 338.496 1.667 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)[NH+]1CCOCC1 ZINC000364696186 276212051 /nfs/dbraw/zinc/21/20/51/276212051.db2.gz LCQIFYCDGLABJG-WMZOPIPTSA-N 2 2 348.491 1.760 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377773427 276260733 /nfs/dbraw/zinc/26/07/33/276260733.db2.gz SGYFOVQMNSNECF-IAGOWNOFSA-N 2 2 344.459 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377773427 276260735 /nfs/dbraw/zinc/26/07/35/276260735.db2.gz SGYFOVQMNSNECF-IAGOWNOFSA-N 2 2 344.459 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377773427 276260737 /nfs/dbraw/zinc/26/07/37/276260737.db2.gz SGYFOVQMNSNECF-IAGOWNOFSA-N 2 2 344.459 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377773427 276260740 /nfs/dbraw/zinc/26/07/40/276260740.db2.gz SGYFOVQMNSNECF-IAGOWNOFSA-N 2 2 344.459 1.286 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CCCc3n[nH]cc32)nc[nH+]1 ZINC000375803376 277302323 /nfs/dbraw/zinc/30/23/23/277302323.db2.gz BSRUUIDSXUCJSY-GXTWGEPZSA-N 2 2 327.436 1.877 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)c3ccc(OC)cc3)C2)CC1 ZINC000286453789 288009632 /nfs/dbraw/zinc/00/96/32/288009632.db2.gz OGOLUNQMTFZDKM-GOSISDBHSA-N 2 2 345.487 1.980 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000363160696 278245277 /nfs/dbraw/zinc/24/52/77/278245277.db2.gz JOUGKDAKOIZFHW-GOEBONIOSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000363160696 278245281 /nfs/dbraw/zinc/24/52/81/278245281.db2.gz JOUGKDAKOIZFHW-GOEBONIOSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)N2CCc3c([nH+]cn3C)C2)([NH+](C)C)C1 ZINC000369381614 278525011 /nfs/dbraw/zinc/52/50/11/278525011.db2.gz MUQJSPWXTITWMO-KDOFPFPSSA-N 2 2 333.480 1.998 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C[C@H]1[NH3+] ZINC000415791465 278664261 /nfs/dbraw/zinc/66/42/61/278664261.db2.gz QNELGUABUDBHPJ-PSASIEDQSA-N 2 2 342.241 1.721 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076001431 279124345 /nfs/dbraw/zinc/12/43/45/279124345.db2.gz LAPSZXGWHRZYGA-KRWDZBQOSA-N 3 2 338.540 1.639 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076001431 279124347 /nfs/dbraw/zinc/12/43/47/279124347.db2.gz LAPSZXGWHRZYGA-KRWDZBQOSA-N 3 2 338.540 1.639 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC(C)(C)OC)CC2)CC1 ZINC000422021997 279258602 /nfs/dbraw/zinc/25/86/02/279258602.db2.gz NYBNVTQHBQVANL-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC(C)(C)OC)CC2)CC1 ZINC000422021997 279258605 /nfs/dbraw/zinc/25/86/05/279258605.db2.gz NYBNVTQHBQVANL-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)c3c(F)cccc32)C1 ZINC000372233350 279396141 /nfs/dbraw/zinc/39/61/41/279396141.db2.gz SCEGOFQRJKKPMI-SWLSCSKDSA-N 2 2 326.437 1.976 20 0 EDADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)c3c(F)cccc32)C1 ZINC000372233350 279396142 /nfs/dbraw/zinc/39/61/42/279396142.db2.gz SCEGOFQRJKKPMI-SWLSCSKDSA-N 2 2 326.437 1.976 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000133389599 279791922 /nfs/dbraw/zinc/79/19/22/279791922.db2.gz OHCACWFKTCNBJV-IAGOWNOFSA-N 2 2 349.500 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188080212 288219559 /nfs/dbraw/zinc/21/95/59/288219559.db2.gz ZORNUXAJAZUYKD-JKIFEVAISA-N 2 2 333.432 1.223 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188080212 288219560 /nfs/dbraw/zinc/21/95/60/288219560.db2.gz ZORNUXAJAZUYKD-JKIFEVAISA-N 2 2 333.432 1.223 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000287543605 288262087 /nfs/dbraw/zinc/26/20/87/288262087.db2.gz OLHSCJPHSSSHGP-ZDUSSCGKSA-N 2 2 334.420 1.800 20 0 EDADLP CC[C@H](COC)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119062575 280852346 /nfs/dbraw/zinc/85/23/46/280852346.db2.gz QVIFLICNALPZPA-CVEARBPZSA-N 2 2 349.479 1.297 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000659983425 452892075 /nfs/dbraw/zinc/89/20/75/452892075.db2.gz MAIYFRIMVGFKAI-UKRRQHHQSA-N 2 2 325.478 1.509 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000659983425 452892080 /nfs/dbraw/zinc/89/20/80/452892080.db2.gz MAIYFRIMVGFKAI-UKRRQHHQSA-N 2 2 325.478 1.509 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000659983425 452892089 /nfs/dbraw/zinc/89/20/89/452892089.db2.gz MAIYFRIMVGFKAI-UKRRQHHQSA-N 2 2 325.478 1.509 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000659983425 452892097 /nfs/dbraw/zinc/89/20/97/452892097.db2.gz MAIYFRIMVGFKAI-UKRRQHHQSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000289944541 288808362 /nfs/dbraw/zinc/80/83/62/288808362.db2.gz OWKDZNMGECHCLH-NZSAHSFTSA-N 2 2 345.487 1.434 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000290493993 288907406 /nfs/dbraw/zinc/90/74/06/288907406.db2.gz XXMUHGTWYBADSC-RBSFLKMASA-N 2 2 337.489 1.626 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000290989177 288985368 /nfs/dbraw/zinc/98/53/68/288985368.db2.gz FNWZFZKOJSKEQQ-LSDHHAIUSA-N 2 2 325.416 1.544 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CCn2c[nH+]cc2C1)c1ccc(F)cc1 ZINC000291335163 289040095 /nfs/dbraw/zinc/04/00/95/289040095.db2.gz RNCLMNNTFBVABF-MRXNPFEDSA-N 2 2 331.395 1.850 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000363348378 289256086 /nfs/dbraw/zinc/25/60/86/289256086.db2.gz GCRYBSSTIGMQNY-YJBOKZPZSA-N 2 2 330.476 1.812 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000363348378 289256088 /nfs/dbraw/zinc/25/60/88/289256088.db2.gz GCRYBSSTIGMQNY-YJBOKZPZSA-N 2 2 330.476 1.812 20 0 EDADLP CN(C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)C1CC([NH3+])C1 ZINC000417656939 289353727 /nfs/dbraw/zinc/35/37/27/289353727.db2.gz GVWMCAZOWIHHIE-QIMFLAQGSA-N 2 2 326.391 1.699 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[C@H]1C[NH3+])c1c(F)cccc1F ZINC000417653407 289358957 /nfs/dbraw/zinc/35/89/57/289358957.db2.gz BDWGKPRGDFRHCZ-TUKIKUTGSA-N 2 2 340.418 1.994 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)c1cnccn1 ZINC000345297434 290001131 /nfs/dbraw/zinc/00/11/31/290001131.db2.gz FVNOOYRTUNLRLR-WRSAYESZSA-N 2 2 340.431 1.755 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)n1 ZINC000173491546 294348058 /nfs/dbraw/zinc/34/80/58/294348058.db2.gz AMCYJOFDOAUHTK-IRXDYDNUSA-N 2 2 345.491 1.866 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)n1 ZINC000173491546 294348060 /nfs/dbraw/zinc/34/80/60/294348060.db2.gz AMCYJOFDOAUHTK-IRXDYDNUSA-N 2 2 345.491 1.866 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000418608296 304518659 /nfs/dbraw/zinc/51/86/59/304518659.db2.gz YPWUFNTYIDAVHL-MRXNPFEDSA-N 2 2 348.491 1.911 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000422011017 447306748 /nfs/dbraw/zinc/30/67/48/447306748.db2.gz CSTHBXQWXXRNDD-UHFFFAOYSA-N 3 2 348.535 1.633 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000422011017 447306753 /nfs/dbraw/zinc/30/67/53/447306753.db2.gz CSTHBXQWXXRNDD-UHFFFAOYSA-N 3 2 348.535 1.633 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000417428493 299003349 /nfs/dbraw/zinc/00/33/49/299003349.db2.gz SFLKOOIJCXUEHN-AWEZNQCLSA-N 2 2 334.464 1.616 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000417428493 299003352 /nfs/dbraw/zinc/00/33/52/299003352.db2.gz SFLKOOIJCXUEHN-AWEZNQCLSA-N 2 2 334.464 1.616 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CCCc3sccc32)CN1CC[NH+]1CCOCC1 ZINC000271569406 304648757 /nfs/dbraw/zinc/64/87/57/304648757.db2.gz ZALIJGXVOGOOEK-GOEBONIOSA-N 2 2 349.500 1.648 20 0 EDADLP C[C@H]1[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC(=O)N1Cc1ccccc1 ZINC000419729956 304673834 /nfs/dbraw/zinc/67/38/34/304673834.db2.gz PEGDTGNNAMNGKR-WMLDXEAASA-N 2 2 341.459 1.765 20 0 EDADLP CCn1cc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cn1 ZINC000422026263 447314254 /nfs/dbraw/zinc/31/42/54/447314254.db2.gz ULDXYSXTMPWQAA-UHFFFAOYSA-N 2 2 333.480 1.535 20 0 EDADLP CCn1cc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cn1 ZINC000422026263 447314257 /nfs/dbraw/zinc/31/42/57/447314257.db2.gz ULDXYSXTMPWQAA-UHFFFAOYSA-N 2 2 333.480 1.535 20 0 EDADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000420317464 304750727 /nfs/dbraw/zinc/75/07/27/304750727.db2.gz OSAPQLBYRWQIBS-OAHLLOKOSA-N 2 2 326.444 1.639 20 0 EDADLP Cc1cc(C)cc(OCc2noc(C[NH+]3CCC(O)(C[NH3+])CC3)n2)c1 ZINC000420401569 304755928 /nfs/dbraw/zinc/75/59/28/304755928.db2.gz GTYIRLXDQCITQB-UHFFFAOYSA-N 2 2 346.431 1.551 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ccc(O)cc3)CC2)CC1 ZINC000422028133 447316534 /nfs/dbraw/zinc/31/65/34/447316534.db2.gz XHGMYSFBURZXMD-UHFFFAOYSA-N 2 2 345.487 1.953 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ccc(O)cc3)CC2)CC1 ZINC000422028133 447316539 /nfs/dbraw/zinc/31/65/39/447316539.db2.gz XHGMYSFBURZXMD-UHFFFAOYSA-N 2 2 345.487 1.953 20 0 EDADLP CC(C)[C@H](C[NH2+][C@H](c1cccs1)c1nnc[nH]1)N1CC[NH+](C)CC1 ZINC000293695193 303004879 /nfs/dbraw/zinc/00/48/79/303004879.db2.gz LBXCRLWBCWEYBW-GOEBONIOSA-N 2 2 348.520 1.817 20 0 EDADLP C[C@H](C(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000294236845 303081465 /nfs/dbraw/zinc/08/14/65/303081465.db2.gz QRYNXRVTOVPHMY-WBVHZDCISA-N 2 2 341.459 1.593 20 0 EDADLP COC(=O)Cn1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)nn1 ZINC000294732980 303140513 /nfs/dbraw/zinc/14/05/13/303140513.db2.gz GWOJEVUTYSDLOV-AWEZNQCLSA-N 2 2 344.419 1.089 20 0 EDADLP COC(=O)Cn1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)nn1 ZINC000294732980 303140515 /nfs/dbraw/zinc/14/05/15/303140515.db2.gz GWOJEVUTYSDLOV-AWEZNQCLSA-N 2 2 344.419 1.089 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000295270912 303197911 /nfs/dbraw/zinc/19/79/11/303197911.db2.gz VPSFTSLPCNCAEE-WMLDXEAASA-N 2 2 333.432 1.091 20 0 EDADLP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000297387519 303393112 /nfs/dbraw/zinc/39/31/12/303393112.db2.gz WTXBUMWDJXBZRK-KRWDZBQOSA-N 2 2 328.416 1.594 20 0 EDADLP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000297387519 303393115 /nfs/dbraw/zinc/39/31/15/303393115.db2.gz WTXBUMWDJXBZRK-KRWDZBQOSA-N 2 2 328.416 1.594 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000340115130 303407479 /nfs/dbraw/zinc/40/74/79/303407479.db2.gz ZPARLJSCECBMCN-IPMKNSEASA-N 2 2 345.487 1.421 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000261677042 303425820 /nfs/dbraw/zinc/42/58/20/303425820.db2.gz GLNWHRFFNKQFAY-RBSFLKMASA-N 2 2 337.489 1.613 20 0 EDADLP COC1([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000412020193 303949777 /nfs/dbraw/zinc/94/97/77/303949777.db2.gz HVLBGXMUXXOJCP-MRXNPFEDSA-N 2 2 346.475 1.668 20 0 EDADLP COCC1(O)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420946635 304785980 /nfs/dbraw/zinc/78/59/80/304785980.db2.gz NRZNIPPTQVOXGE-UHFFFAOYSA-N 2 2 334.460 1.492 20 0 EDADLP Cc1ccc(CC[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000377764612 447344217 /nfs/dbraw/zinc/34/42/17/447344217.db2.gz VEFOYJRLNHUTLX-AZUAARDMSA-N 2 2 331.504 1.874 20 0 EDADLP Cc1ccc(CC[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000377764612 447344222 /nfs/dbraw/zinc/34/42/22/447344222.db2.gz VEFOYJRLNHUTLX-AZUAARDMSA-N 2 2 331.504 1.874 20 0 EDADLP Cc1ccc(CC[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000377764612 447344231 /nfs/dbraw/zinc/34/42/31/447344231.db2.gz VEFOYJRLNHUTLX-AZUAARDMSA-N 2 2 331.504 1.874 20 0 EDADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c2ccccc21 ZINC000423114780 304887203 /nfs/dbraw/zinc/88/72/03/304887203.db2.gz WISSXZUJRBMWJQ-ILXRZTDVSA-N 2 2 329.366 1.984 20 0 EDADLP FC(F)(F)c1ccnc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423138033 304888283 /nfs/dbraw/zinc/88/82/83/304888283.db2.gz RUMDOLYQBSGVHD-CABCVRRESA-N 2 2 329.366 2.000 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000424453907 304930142 /nfs/dbraw/zinc/93/01/42/304930142.db2.gz MSCJOMOFLZKIHY-QZTJIDSGSA-N 2 2 346.475 1.588 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000428038323 305004929 /nfs/dbraw/zinc/00/49/29/305004929.db2.gz XOXMNVVTYLKRNF-HKUYNNGSSA-N 2 2 342.487 1.327 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000428038323 305004930 /nfs/dbraw/zinc/00/49/30/305004930.db2.gz XOXMNVVTYLKRNF-HKUYNNGSSA-N 2 2 342.487 1.327 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1OC ZINC000428040876 305005226 /nfs/dbraw/zinc/00/52/26/305005226.db2.gz YMIRTIQTFRGWMO-ZBFHGGJFSA-N 2 2 347.459 1.346 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1OC ZINC000428040876 305005227 /nfs/dbraw/zinc/00/52/27/305005227.db2.gz YMIRTIQTFRGWMO-ZBFHGGJFSA-N 2 2 347.459 1.346 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000428053271 305005919 /nfs/dbraw/zinc/00/59/19/305005919.db2.gz KRVANWALUDNXNR-IEBWSBKVSA-N 2 2 329.488 1.954 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000428053271 305005920 /nfs/dbraw/zinc/00/59/20/305005920.db2.gz KRVANWALUDNXNR-IEBWSBKVSA-N 2 2 329.488 1.954 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000429147443 305024702 /nfs/dbraw/zinc/02/47/02/305024702.db2.gz FJPOXWCZGBRCDA-INIZCTEOSA-N 2 2 343.431 1.625 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000430568975 305056224 /nfs/dbraw/zinc/05/62/24/305056224.db2.gz HUSQYCLDUHNOQT-IBGZPJMESA-N 2 2 343.475 1.494 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000430576241 305056833 /nfs/dbraw/zinc/05/68/33/305056833.db2.gz WHSRRBYNJZLHMA-GOSISDBHSA-N 2 2 332.448 1.713 20 0 EDADLP C[NH2+]C[C@H]1CCCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000430585557 305057198 /nfs/dbraw/zinc/05/71/98/305057198.db2.gz QRMDUXCJHSVKLB-MRXNPFEDSA-N 2 2 336.505 1.076 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000430599653 305057900 /nfs/dbraw/zinc/05/79/00/305057900.db2.gz ATIJLIMANWOADV-LSDHHAIUSA-N 2 2 349.475 1.812 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000430599653 305057901 /nfs/dbraw/zinc/05/79/01/305057901.db2.gz ATIJLIMANWOADV-LSDHHAIUSA-N 2 2 349.475 1.812 20 0 EDADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430620027 305059493 /nfs/dbraw/zinc/05/94/93/305059493.db2.gz BQVVKSHPJOWLKZ-SFHVURJKSA-N 2 2 348.466 1.678 20 0 EDADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430620027 305059494 /nfs/dbraw/zinc/05/94/94/305059494.db2.gz BQVVKSHPJOWLKZ-SFHVURJKSA-N 2 2 348.466 1.678 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000430913182 305067643 /nfs/dbraw/zinc/06/76/43/305067643.db2.gz SHGIHSHCVXGQHU-YJBOKZPZSA-N 2 2 347.459 1.279 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)C1 ZINC000430924283 305068404 /nfs/dbraw/zinc/06/84/04/305068404.db2.gz ITGCOTRVNDOKKX-QGZVFWFLSA-N 2 2 330.476 1.185 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)C1 ZINC000430924283 305068405 /nfs/dbraw/zinc/06/84/05/305068405.db2.gz ITGCOTRVNDOKKX-QGZVFWFLSA-N 2 2 330.476 1.185 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)C1 ZINC000430938624 305069505 /nfs/dbraw/zinc/06/95/05/305069505.db2.gz IQXWRPLZMOUPCC-GOEBONIOSA-N 2 2 349.475 1.292 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)C1 ZINC000430938624 305069506 /nfs/dbraw/zinc/06/95/06/305069506.db2.gz IQXWRPLZMOUPCC-GOEBONIOSA-N 2 2 349.475 1.292 20 0 EDADLP C[NH2+]CC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000430961190 305071102 /nfs/dbraw/zinc/07/11/02/305071102.db2.gz BYVZHLDPINBYNX-AWEZNQCLSA-N 2 2 340.265 1.907 20 0 EDADLP CN(C)c1ccnc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000432357323 305092034 /nfs/dbraw/zinc/09/20/34/305092034.db2.gz HREGIVMOYAUYHC-UHFFFAOYSA-N 2 2 349.483 1.032 20 0 EDADLP CN(C)c1ccnc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000432357323 305092035 /nfs/dbraw/zinc/09/20/35/305092035.db2.gz HREGIVMOYAUYHC-UHFFFAOYSA-N 2 2 349.483 1.032 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCc2cn3c([nH+]2)CCCC3)CCCO1 ZINC000433328168 305105830 /nfs/dbraw/zinc/10/58/30/305105830.db2.gz CNBDMAZALGUSHF-OAHLLOKOSA-N 2 2 349.479 1.520 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cn3c([nH+]2)CCCC3)CCCO1 ZINC000433328168 305105831 /nfs/dbraw/zinc/10/58/31/305105831.db2.gz CNBDMAZALGUSHF-OAHLLOKOSA-N 2 2 349.479 1.520 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)c1ncnc2c1C[N@H+](C)CC2 ZINC000433430843 305109064 /nfs/dbraw/zinc/10/90/64/305109064.db2.gz ODRSJIFUNBAYJS-UHFFFAOYSA-N 2 2 326.448 1.428 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)c1ncnc2c1C[N@@H+](C)CC2 ZINC000433430843 305109065 /nfs/dbraw/zinc/10/90/65/305109065.db2.gz ODRSJIFUNBAYJS-UHFFFAOYSA-N 2 2 326.448 1.428 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000433923660 305114582 /nfs/dbraw/zinc/11/45/82/305114582.db2.gz ZDODBKNPHRYPKF-INIZCTEOSA-N 2 2 338.496 1.128 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000433923660 305114583 /nfs/dbraw/zinc/11/45/83/305114583.db2.gz ZDODBKNPHRYPKF-INIZCTEOSA-N 2 2 338.496 1.128 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC=C(C)C3)CC2)cc1 ZINC000436274058 305155458 /nfs/dbraw/zinc/15/54/58/305155458.db2.gz WXLTYWCKYLVMEZ-UHFFFAOYSA-N 2 2 343.471 1.991 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC=C(C)C3)CC2)cc1 ZINC000436274058 305155459 /nfs/dbraw/zinc/15/54/59/305155459.db2.gz WXLTYWCKYLVMEZ-UHFFFAOYSA-N 2 2 343.471 1.991 20 0 EDADLP CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442945240 305231673 /nfs/dbraw/zinc/23/16/73/305231673.db2.gz QNDMTHYKCOWYJR-HNNXBMFYSA-N 2 2 348.472 1.504 20 0 EDADLP CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442945240 305231674 /nfs/dbraw/zinc/23/16/74/305231674.db2.gz QNDMTHYKCOWYJR-HNNXBMFYSA-N 2 2 348.472 1.504 20 0 EDADLP O=S(=O)(c1ccccc1Cn1cc[nH+]c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000442957527 305232162 /nfs/dbraw/zinc/23/21/62/305232162.db2.gz OAQDORNRPVJBGT-MRXNPFEDSA-N 2 2 346.456 1.400 20 0 EDADLP O=S(=O)(c1ccccc1Cn1cc[nH+]c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000442957527 305232163 /nfs/dbraw/zinc/23/21/63/305232163.db2.gz OAQDORNRPVJBGT-MRXNPFEDSA-N 2 2 346.456 1.400 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)[C@H](C)O1 ZINC000446082627 305261063 /nfs/dbraw/zinc/26/10/63/305261063.db2.gz PYTQMNJSXPFGQM-KURKYZTESA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)[C@H](C)O1 ZINC000446082627 305261064 /nfs/dbraw/zinc/26/10/64/305261064.db2.gz PYTQMNJSXPFGQM-KURKYZTESA-N 2 2 345.487 1.829 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000449121518 305307306 /nfs/dbraw/zinc/30/73/06/305307306.db2.gz IAAWKHYCXCDUEK-MRXNPFEDSA-N 2 2 335.496 1.479 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000449121518 305307307 /nfs/dbraw/zinc/30/73/07/305307307.db2.gz IAAWKHYCXCDUEK-MRXNPFEDSA-N 2 2 335.496 1.479 20 0 EDADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cc(C(N)=O)no2)CC1 ZINC000449237566 305309135 /nfs/dbraw/zinc/30/91/35/305309135.db2.gz CAOBRKBFPFOFHO-CQSZACIVSA-N 2 2 342.443 1.959 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000449730552 305318190 /nfs/dbraw/zinc/31/81/90/305318190.db2.gz REYPUKWMKQHTOU-CYBMUJFWSA-N 2 2 326.322 1.941 20 0 EDADLP CC1(C)COC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451807455 305370301 /nfs/dbraw/zinc/37/03/01/305370301.db2.gz BIIGBEQCMFQVAB-HNNXBMFYSA-N 2 2 337.489 1.407 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452126638 305384392 /nfs/dbraw/zinc/38/43/92/305384392.db2.gz UUOVDKWPAZNCSB-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452126638 305384393 /nfs/dbraw/zinc/38/43/93/305384393.db2.gz UUOVDKWPAZNCSB-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP O=S(=O)(CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000425892551 447351495 /nfs/dbraw/zinc/35/14/95/447351495.db2.gz BLYMJCWGYTVNJR-UHFFFAOYSA-N 2 2 349.456 1.705 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000514736030 305704005 /nfs/dbraw/zinc/70/40/05/305704005.db2.gz IVIOXGUFAFAUBS-USXIJHARSA-N 2 2 325.416 1.773 20 0 EDADLP CC[NH2+]CCCNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000516916763 305743727 /nfs/dbraw/zinc/74/37/27/305743727.db2.gz QAFXBMNLMBOSBS-CQSZACIVSA-N 2 2 335.452 1.310 20 0 EDADLP O=C(Cn1cc[nH+]c1C1CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000530131569 305932002 /nfs/dbraw/zinc/93/20/02/305932002.db2.gz OPXRZPCFEIGNQH-UHFFFAOYSA-N 2 2 346.475 1.912 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534126516 306003813 /nfs/dbraw/zinc/00/38/13/306003813.db2.gz SWTANBNLWOWNIS-ZDUSSCGKSA-N 2 2 333.436 1.581 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000538599179 306031003 /nfs/dbraw/zinc/03/10/03/306031003.db2.gz XHZWAKUCLOZUHF-QGZVFWFLSA-N 2 2 344.459 1.241 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000538599179 306031004 /nfs/dbraw/zinc/03/10/04/306031004.db2.gz XHZWAKUCLOZUHF-QGZVFWFLSA-N 2 2 344.459 1.241 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000539020720 306033954 /nfs/dbraw/zinc/03/39/54/306033954.db2.gz JNCDMBBDIPRCOS-RHSMWYFYSA-N 2 2 337.489 1.511 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000539020720 306033955 /nfs/dbraw/zinc/03/39/55/306033955.db2.gz JNCDMBBDIPRCOS-RHSMWYFYSA-N 2 2 337.489 1.511 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000543236591 306061849 /nfs/dbraw/zinc/06/18/49/306061849.db2.gz RSUSMRKKWVQHMB-CVEARBPZSA-N 2 2 343.475 1.847 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000543236591 306061850 /nfs/dbraw/zinc/06/18/50/306061850.db2.gz RSUSMRKKWVQHMB-CVEARBPZSA-N 2 2 343.475 1.847 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCN4CCOC[C@@H]4C3)c2cc1C ZINC000543558269 306064906 /nfs/dbraw/zinc/06/49/06/306064906.db2.gz DTSCXNNLABHHBD-DLBZAZTESA-N 2 2 344.459 1.030 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCN4CCOC[C@@H]4C3)c2cc1C ZINC000543558269 306064907 /nfs/dbraw/zinc/06/49/07/306064907.db2.gz DTSCXNNLABHHBD-DLBZAZTESA-N 2 2 344.459 1.030 20 0 EDADLP Cn1cc(C[NH+]2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cn1 ZINC000543693547 306066861 /nfs/dbraw/zinc/06/68/61/306066861.db2.gz UXLHQBROYVAJTG-UHFFFAOYSA-N 2 2 341.463 1.523 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)c2cc1C ZINC000544111298 306072739 /nfs/dbraw/zinc/07/27/39/306072739.db2.gz OYURMXLMPQRECT-WFXMFSGNSA-N 2 2 329.444 1.717 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)c2cc1C ZINC000544111298 306072740 /nfs/dbraw/zinc/07/27/40/306072740.db2.gz OYURMXLMPQRECT-WFXMFSGNSA-N 2 2 329.444 1.717 20 0 EDADLP CC[N@H+](Cc1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1)C1CC1 ZINC000545127346 306080371 /nfs/dbraw/zinc/08/03/71/306080371.db2.gz YJIBWPLRFDIVAT-UHFFFAOYSA-N 2 2 342.447 1.868 20 0 EDADLP CC[N@@H+](Cc1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1)C1CC1 ZINC000545127346 306080372 /nfs/dbraw/zinc/08/03/72/306080372.db2.gz YJIBWPLRFDIVAT-UHFFFAOYSA-N 2 2 342.447 1.868 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000547984307 306116873 /nfs/dbraw/zinc/11/68/73/306116873.db2.gz FADBZNFSQLEKND-SJORKVTESA-N 2 2 339.443 1.621 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000547984307 306116874 /nfs/dbraw/zinc/11/68/74/306116874.db2.gz FADBZNFSQLEKND-SJORKVTESA-N 2 2 339.443 1.621 20 0 EDADLP C[N@H+](CCC(=O)NCC[NH+]1CCOCC1(C)C)C1CCCCC1 ZINC000548388625 306126167 /nfs/dbraw/zinc/12/61/67/306126167.db2.gz ILQYHDYWTVBICV-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[N@@H+](CCC(=O)NCC[NH+]1CCOCC1(C)C)C1CCCCC1 ZINC000548388625 306126168 /nfs/dbraw/zinc/12/61/68/306126168.db2.gz ILQYHDYWTVBICV-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[NH+](CCC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CCCCC1 ZINC000548388625 306126169 /nfs/dbraw/zinc/12/61/69/306126169.db2.gz ILQYHDYWTVBICV-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[NH+](CCC(=O)NCC[N@H+]1CCOCC1(C)C)C1CCCCC1 ZINC000548388625 306126170 /nfs/dbraw/zinc/12/61/70/306126170.db2.gz ILQYHDYWTVBICV-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP CC(C)C[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000550198285 306151853 /nfs/dbraw/zinc/15/18/53/306151853.db2.gz VPIZVEMXVNOJCL-QGZVFWFLSA-N 2 2 330.432 1.811 20 0 EDADLP C[N@@H+]1CCN(CC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1(C)C ZINC000551306134 306157342 /nfs/dbraw/zinc/15/73/42/306157342.db2.gz CWVHDQJDQGESGU-QGZVFWFLSA-N 2 2 346.454 1.649 20 0 EDADLP C[N@H+]1CCN(CC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1(C)C ZINC000551306134 306157343 /nfs/dbraw/zinc/15/73/43/306157343.db2.gz CWVHDQJDQGESGU-QGZVFWFLSA-N 2 2 346.454 1.649 20 0 EDADLP COc1cccc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000552029558 306173890 /nfs/dbraw/zinc/17/38/90/306173890.db2.gz WIJHWNWHGZDVDO-LZWOXQAQSA-N 2 2 338.448 1.264 20 0 EDADLP COc1cccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000552029558 306173891 /nfs/dbraw/zinc/17/38/91/306173891.db2.gz WIJHWNWHGZDVDO-LZWOXQAQSA-N 2 2 338.448 1.264 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC000552998490 306181849 /nfs/dbraw/zinc/18/18/49/306181849.db2.gz FNLHXNDLHRODOW-GJZGRUSLSA-N 2 2 332.448 1.265 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC000552998490 306181850 /nfs/dbraw/zinc/18/18/50/306181850.db2.gz FNLHXNDLHRODOW-GJZGRUSLSA-N 2 2 332.448 1.265 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2nc(NCC)[nH+]c(NC(C)(C)C)n2)C1 ZINC000553331174 306184279 /nfs/dbraw/zinc/18/42/79/306184279.db2.gz YOPIWXVTUCOFLW-ZDUSSCGKSA-N 2 2 335.500 1.501 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2nc(NCC)[nH+]c(NC(C)(C)C)n2)C1 ZINC000553331174 306184280 /nfs/dbraw/zinc/18/42/80/306184280.db2.gz YOPIWXVTUCOFLW-ZDUSSCGKSA-N 2 2 335.500 1.501 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2nc(NC(C)(C)C)nc(NCC)[nH+]2)C1 ZINC000553331174 306184281 /nfs/dbraw/zinc/18/42/81/306184281.db2.gz YOPIWXVTUCOFLW-ZDUSSCGKSA-N 2 2 335.500 1.501 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2nc(NC(C)(C)C)nc(NCC)[nH+]2)C1 ZINC000553331174 306184282 /nfs/dbraw/zinc/18/42/82/306184282.db2.gz YOPIWXVTUCOFLW-ZDUSSCGKSA-N 2 2 335.500 1.501 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2nc(NCC)nc(NC(C)(C)C)[nH+]2)C1 ZINC000553331174 306184283 /nfs/dbraw/zinc/18/42/83/306184283.db2.gz YOPIWXVTUCOFLW-ZDUSSCGKSA-N 2 2 335.500 1.501 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2nc(NCC)nc(NC(C)(C)C)[nH+]2)C1 ZINC000553331174 306184284 /nfs/dbraw/zinc/18/42/84/306184284.db2.gz YOPIWXVTUCOFLW-ZDUSSCGKSA-N 2 2 335.500 1.501 20 0 EDADLP OCCNc1nc(NCc2c[nH+]c3n2CCCC3)[nH+]c2ccccc21 ZINC000553592292 306186497 /nfs/dbraw/zinc/18/64/97/306186497.db2.gz XYCSOSRHKBSIFZ-UHFFFAOYSA-N 2 2 338.415 1.023 20 0 EDADLP C[NH+]1CCN([C@H](CNC(=O)CCc2[nH]cc[nH+]2)c2cccs2)CC1 ZINC000554223307 306189868 /nfs/dbraw/zinc/18/98/68/306189868.db2.gz APJVEGROFJYYSX-CQSZACIVSA-N 2 2 347.488 1.509 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Cc1c[nH+]cn1C ZINC000554578544 306195784 /nfs/dbraw/zinc/19/57/84/306195784.db2.gz XEVGPUKUCWMLDX-UHFFFAOYSA-N 2 2 341.459 1.243 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000556856375 306220662 /nfs/dbraw/zinc/22/06/62/306220662.db2.gz PIHPEFNSCBBQPK-IJEWVQPXSA-N 2 2 338.448 1.264 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000556856375 306220663 /nfs/dbraw/zinc/22/06/63/306220663.db2.gz PIHPEFNSCBBQPK-IJEWVQPXSA-N 2 2 338.448 1.264 20 0 EDADLP C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000414955483 447371845 /nfs/dbraw/zinc/37/18/45/447371845.db2.gz NDWPUYSVPRRSBY-WBVHZDCISA-N 2 2 346.475 1.967 20 0 EDADLP COc1cc(Br)ccc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414968672 447379001 /nfs/dbraw/zinc/37/90/01/447379001.db2.gz SFOYMVHZZWPFEI-CYBMUJFWSA-N 2 2 328.254 1.451 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000044849274 440892655 /nfs/dbraw/zinc/89/26/55/440892655.db2.gz SSOSXGHYAWJRQQ-IYBDPMFKSA-N 2 2 332.448 1.230 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000044849274 440892661 /nfs/dbraw/zinc/89/26/61/440892661.db2.gz SSOSXGHYAWJRQQ-IYBDPMFKSA-N 2 2 332.448 1.230 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045814080 441044105 /nfs/dbraw/zinc/04/41/05/441044105.db2.gz NSRYTRSXLLYWRI-HNNXBMFYSA-N 2 2 345.447 1.711 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057172221 441095215 /nfs/dbraw/zinc/09/52/15/441095215.db2.gz JFUPGRZUNLDMPH-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057172221 441095218 /nfs/dbraw/zinc/09/52/18/441095218.db2.gz JFUPGRZUNLDMPH-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080552190 441179367 /nfs/dbraw/zinc/17/93/67/441179367.db2.gz DXDKXDVVGLTBMJ-YJBOKZPZSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080552190 441179372 /nfs/dbraw/zinc/17/93/72/441179372.db2.gz DXDKXDVVGLTBMJ-YJBOKZPZSA-N 2 2 349.450 1.627 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CC(=O)Nc3ccccc32)[C@H](C)C1 ZINC000081096068 441233899 /nfs/dbraw/zinc/23/38/99/441233899.db2.gz WWNFDJRAVUINBK-GDBMZVCRSA-N 2 2 344.459 1.634 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CC(=O)Nc3ccccc32)[C@H](C)C1 ZINC000081096068 441233902 /nfs/dbraw/zinc/23/39/02/441233902.db2.gz WWNFDJRAVUINBK-GDBMZVCRSA-N 2 2 344.459 1.634 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CC(=O)Nc3ccccc32)[C@H](C)C1 ZINC000081096068 441233906 /nfs/dbraw/zinc/23/39/06/441233906.db2.gz WWNFDJRAVUINBK-GDBMZVCRSA-N 2 2 344.459 1.634 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CC(=O)Nc3ccccc32)[C@H](C)C1 ZINC000081096068 441233910 /nfs/dbraw/zinc/23/39/10/441233910.db2.gz WWNFDJRAVUINBK-GDBMZVCRSA-N 2 2 344.459 1.634 20 0 EDADLP CCCCNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969166 441214714 /nfs/dbraw/zinc/21/47/14/441214714.db2.gz FKFUCOVWJNYGGB-UHFFFAOYSA-N 2 2 332.492 1.937 20 0 EDADLP CCCCNC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969166 441214716 /nfs/dbraw/zinc/21/47/16/441214716.db2.gz FKFUCOVWJNYGGB-UHFFFAOYSA-N 2 2 332.492 1.937 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(=O)NC1CCCCC1 ZINC000080973286 441215828 /nfs/dbraw/zinc/21/58/28/441215828.db2.gz WPLWIRGCGGDRQV-ZDUSSCGKSA-N 2 2 333.436 1.748 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(=O)NC1CCCCC1 ZINC000080973286 441215834 /nfs/dbraw/zinc/21/58/34/441215834.db2.gz WPLWIRGCGGDRQV-ZDUSSCGKSA-N 2 2 333.436 1.748 20 0 EDADLP CCC[C@@H](O)[C@H](CO)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000419832698 447438507 /nfs/dbraw/zinc/43/85/07/447438507.db2.gz VSEIAHVCNWVZCK-UONOGXRCSA-N 2 2 327.494 1.521 20 0 EDADLP CCC[C@@H](O)[C@H](CO)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000419832698 447438512 /nfs/dbraw/zinc/43/85/12/447438512.db2.gz VSEIAHVCNWVZCK-UONOGXRCSA-N 2 2 327.494 1.521 20 0 EDADLP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105297709 441249665 /nfs/dbraw/zinc/24/96/65/441249665.db2.gz USBFUWMMJAIYNF-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP COCC[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000048023879 441252391 /nfs/dbraw/zinc/25/23/91/441252391.db2.gz UEUCDKUFUQJYJR-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP COCC[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000048023879 441252394 /nfs/dbraw/zinc/25/23/94/441252394.db2.gz UEUCDKUFUQJYJR-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP CC(=O)[C@@H](NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)C(C)C ZINC000105876155 441303538 /nfs/dbraw/zinc/30/35/38/441303538.db2.gz WYWKQOSXVQPQAN-SFHVURJKSA-N 2 2 334.464 1.404 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)C[C@H](C)O1 ZINC000105875960 441303759 /nfs/dbraw/zinc/30/37/59/441303759.db2.gz RYIMHMBODQZFLY-GASCZTMLSA-N 2 2 334.464 1.310 20 0 EDADLP C[N@H+](CCN1CCN(C(=O)Cn2cc[nH+]c2)CC1)Cc1ccccc1 ZINC000073389438 441314337 /nfs/dbraw/zinc/31/43/37/441314337.db2.gz DDHFZZRRTFHMHM-UHFFFAOYSA-N 2 2 341.459 1.159 20 0 EDADLP C[N@@H+](CCN1CCN(C(=O)Cn2cc[nH+]c2)CC1)Cc1ccccc1 ZINC000073389438 441314340 /nfs/dbraw/zinc/31/43/40/441314340.db2.gz DDHFZZRRTFHMHM-UHFFFAOYSA-N 2 2 341.459 1.159 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000074027388 441383353 /nfs/dbraw/zinc/38/33/53/441383353.db2.gz JECNJXTWYUTFTQ-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP COCCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051273009 441405367 /nfs/dbraw/zinc/40/53/67/441405367.db2.gz BEMDBAMLZXTSET-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@H+](CCOCC1CC1)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000088599842 441514840 /nfs/dbraw/zinc/51/48/40/441514840.db2.gz MITDGVNIQCPXRV-UHFFFAOYSA-N 2 2 346.475 1.479 20 0 EDADLP C[N@@H+](CCOCC1CC1)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000088599842 441514842 /nfs/dbraw/zinc/51/48/42/441514842.db2.gz MITDGVNIQCPXRV-UHFFFAOYSA-N 2 2 346.475 1.479 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CCCS2)([NH+]2CCCCC2)CC1 ZINC000075158787 441505295 /nfs/dbraw/zinc/50/52/95/441505295.db2.gz LJCVXIVDZADFGB-OAHLLOKOSA-N 2 2 325.522 1.949 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CN1CC[NH+](C)CC1 ZINC000075180195 441507653 /nfs/dbraw/zinc/50/76/53/441507653.db2.gz FCHJBVBOEWJUIX-UHFFFAOYSA-N 2 2 341.459 1.137 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(NC(N)=O)c1 ZINC000112921405 441568193 /nfs/dbraw/zinc/56/81/93/441568193.db2.gz FXQGSZBXNBNJNX-UHFFFAOYSA-N 2 2 347.463 1.275 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(NC(N)=O)c1 ZINC000112921405 441568196 /nfs/dbraw/zinc/56/81/96/441568196.db2.gz FXQGSZBXNBNJNX-UHFFFAOYSA-N 2 2 347.463 1.275 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066915268 441585313 /nfs/dbraw/zinc/58/53/13/441585313.db2.gz LZPTYOGFRPVUBD-VQHPVUNQSA-N 2 2 325.497 1.721 20 0 EDADLP CC(C)[N@H+](CC(N)=O)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076549573 441657455 /nfs/dbraw/zinc/65/74/55/441657455.db2.gz GSFSEQIQZDJHAW-UHFFFAOYSA-N 2 2 346.475 1.094 20 0 EDADLP CC(C)[N@@H+](CC(N)=O)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076549573 441657460 /nfs/dbraw/zinc/65/74/60/441657460.db2.gz GSFSEQIQZDJHAW-UHFFFAOYSA-N 2 2 346.475 1.094 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000114479887 441663461 /nfs/dbraw/zinc/66/34/61/441663461.db2.gz FATXNFKRBNUZQJ-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000114479887 441663467 /nfs/dbraw/zinc/66/34/67/441663467.db2.gz FATXNFKRBNUZQJ-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000114856127 441690332 /nfs/dbraw/zinc/69/03/32/441690332.db2.gz MTSRGEMJZGMGLE-MOPGFXCFSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000114856127 441690337 /nfs/dbraw/zinc/69/03/37/441690337.db2.gz MTSRGEMJZGMGLE-MOPGFXCFSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114856127 441690341 /nfs/dbraw/zinc/69/03/41/441690341.db2.gz MTSRGEMJZGMGLE-MOPGFXCFSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114856127 441690346 /nfs/dbraw/zinc/69/03/46/441690346.db2.gz MTSRGEMJZGMGLE-MOPGFXCFSA-N 2 2 343.471 1.630 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000137021788 441739221 /nfs/dbraw/zinc/73/92/21/441739221.db2.gz WPMPTFAFCMULIW-IYBDPMFKSA-N 2 2 337.468 1.414 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000137021788 441739226 /nfs/dbraw/zinc/73/92/26/441739226.db2.gz WPMPTFAFCMULIW-IYBDPMFKSA-N 2 2 337.468 1.414 20 0 EDADLP C[NH+](C)CCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000042922504 441798884 /nfs/dbraw/zinc/79/88/84/441798884.db2.gz BFIAEGMBDKMBKT-QGZVFWFLSA-N 2 2 334.464 1.311 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000173640589 441811750 /nfs/dbraw/zinc/81/17/50/441811750.db2.gz DWERNQXZXSOSBB-ZDUSSCGKSA-N 2 2 325.478 1.453 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093146972 441860742 /nfs/dbraw/zinc/86/07/42/441860742.db2.gz HIWGGSGNOZMURB-MRXNPFEDSA-N 2 2 328.464 1.331 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093146972 441860746 /nfs/dbraw/zinc/86/07/46/441860746.db2.gz HIWGGSGNOZMURB-MRXNPFEDSA-N 2 2 328.464 1.331 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000139611611 441822602 /nfs/dbraw/zinc/82/26/02/441822602.db2.gz WRVVFDPAHJTLPI-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000139611611 441822606 /nfs/dbraw/zinc/82/26/06/441822606.db2.gz WRVVFDPAHJTLPI-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)c1csc(CC[NH3+])n1 ZINC000173674838 441822849 /nfs/dbraw/zinc/82/28/49/441822849.db2.gz CSFJHQGMMWQGCH-UHFFFAOYSA-N 2 2 329.429 1.732 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)[nH+]1 ZINC000092917852 441839009 /nfs/dbraw/zinc/83/90/09/441839009.db2.gz JHNGYDIFLCMEED-AWEZNQCLSA-N 2 2 327.436 1.921 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)[nH+]1 ZINC000092917852 441839013 /nfs/dbraw/zinc/83/90/13/441839013.db2.gz JHNGYDIFLCMEED-AWEZNQCLSA-N 2 2 327.436 1.921 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118842897 441906669 /nfs/dbraw/zinc/90/66/69/441906669.db2.gz DEBKELKOVHMMGA-OAHLLOKOSA-N 2 2 347.459 1.994 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118842897 441906677 /nfs/dbraw/zinc/90/66/77/441906677.db2.gz DEBKELKOVHMMGA-OAHLLOKOSA-N 2 2 347.459 1.994 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118842897 441906680 /nfs/dbraw/zinc/90/66/80/441906680.db2.gz DEBKELKOVHMMGA-OAHLLOKOSA-N 2 2 347.459 1.994 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000118842897 441906685 /nfs/dbraw/zinc/90/66/85/441906685.db2.gz DEBKELKOVHMMGA-OAHLLOKOSA-N 2 2 347.459 1.994 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000124197410 441910618 /nfs/dbraw/zinc/91/06/18/441910618.db2.gz HIBKLZOTKHSTLY-MRXNPFEDSA-N 2 2 349.475 1.354 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123324411 441883673 /nfs/dbraw/zinc/88/36/73/441883673.db2.gz YZPZRJLGIKSGMA-BBRMVZONSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123324411 441883679 /nfs/dbraw/zinc/88/36/79/441883679.db2.gz YZPZRJLGIKSGMA-BBRMVZONSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123324411 441883682 /nfs/dbraw/zinc/88/36/82/441883682.db2.gz YZPZRJLGIKSGMA-BBRMVZONSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123324411 441883685 /nfs/dbraw/zinc/88/36/85/441883685.db2.gz YZPZRJLGIKSGMA-BBRMVZONSA-N 2 2 333.432 1.826 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c(-c2cccnc2)n1 ZINC000093394868 441885121 /nfs/dbraw/zinc/88/51/21/441885121.db2.gz OGSWNUTWAMNVGS-UHFFFAOYSA-N 2 2 343.475 1.761 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(-c2cccnc2)n1 ZINC000093394868 441885125 /nfs/dbraw/zinc/88/51/25/441885125.db2.gz OGSWNUTWAMNVGS-UHFFFAOYSA-N 2 2 343.475 1.761 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN(C3CC3)C(=O)C2)CC1 ZINC000093444763 441886476 /nfs/dbraw/zinc/88/64/76/441886476.db2.gz GNCBNMCBEZMUFG-UHFFFAOYSA-N 2 2 342.487 1.635 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN(C3CC3)C(=O)C2)CC1 ZINC000093444763 441886478 /nfs/dbraw/zinc/88/64/78/441886478.db2.gz GNCBNMCBEZMUFG-UHFFFAOYSA-N 2 2 342.487 1.635 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCN(C)c3ccccc3C2)CC1 ZINC000069090762 441889097 /nfs/dbraw/zinc/88/90/97/441889097.db2.gz UADCLXRNVFGKKZ-INIZCTEOSA-N 2 2 330.476 1.491 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCN(C)c3ccccc3C2)CC1 ZINC000069090762 441889099 /nfs/dbraw/zinc/88/90/99/441889099.db2.gz UADCLXRNVFGKKZ-INIZCTEOSA-N 2 2 330.476 1.491 20 0 EDADLP OCCCSCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119329542 441929004 /nfs/dbraw/zinc/92/90/04/441929004.db2.gz BKBJGZJTORJSSS-UHFFFAOYSA-N 2 2 330.417 1.738 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000174488667 441929586 /nfs/dbraw/zinc/92/95/86/441929586.db2.gz MKKDKNSCDVDUOQ-UHFFFAOYSA-N 2 2 348.495 1.783 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000174488667 441929595 /nfs/dbraw/zinc/92/95/95/441929595.db2.gz MKKDKNSCDVDUOQ-UHFFFAOYSA-N 2 2 348.495 1.783 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)n12 ZINC000150793888 441952576 /nfs/dbraw/zinc/95/25/76/441952576.db2.gz JYLWXGBDJDANJQ-INIZCTEOSA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)n12 ZINC000150793888 441952579 /nfs/dbraw/zinc/95/25/79/441952579.db2.gz JYLWXGBDJDANJQ-INIZCTEOSA-N 2 2 326.444 1.921 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000119815346 441957247 /nfs/dbraw/zinc/95/72/47/441957247.db2.gz LFUBDOMTEWKENA-OCCSQVGLSA-N 2 2 334.420 1.217 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2c[nH+]ccc2OC)[C@H](C)C1 ZINC000119815346 441957252 /nfs/dbraw/zinc/95/72/52/441957252.db2.gz LFUBDOMTEWKENA-OCCSQVGLSA-N 2 2 334.420 1.217 20 0 EDADLP C[C@H]1C[NH+](CCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H](C)O1 ZINC000119983420 441988076 /nfs/dbraw/zinc/98/80/76/441988076.db2.gz JFRDXCBUMXKDCV-HOTGVXAUSA-N 2 2 349.475 1.973 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000175143432 442008275 /nfs/dbraw/zinc/00/82/75/442008275.db2.gz PMUZFHDQKSOCBN-BZSNNMDCSA-N 2 2 338.540 1.732 20 0 EDADLP CC[C@@H](C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1)[NH+](C)C ZINC000151462160 442065802 /nfs/dbraw/zinc/06/58/02/442065802.db2.gz CJWBVGHKGDKOPP-INIZCTEOSA-N 2 2 349.475 1.518 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000175729187 442112681 /nfs/dbraw/zinc/11/26/81/442112681.db2.gz PTCCMMWNCPOJDL-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000163430558 442165675 /nfs/dbraw/zinc/16/56/75/442165675.db2.gz KFHPUEDHGQQWMZ-PBHICJAKSA-N 2 2 330.436 1.424 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000163430558 442165679 /nfs/dbraw/zinc/16/56/79/442165679.db2.gz KFHPUEDHGQQWMZ-PBHICJAKSA-N 2 2 330.436 1.424 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000163510181 442170572 /nfs/dbraw/zinc/17/05/72/442170572.db2.gz MSHSHMIGRHXZLN-HOCLYGCPSA-N 2 2 347.459 1.475 20 0 EDADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000121272228 442198652 /nfs/dbraw/zinc/19/86/52/442198652.db2.gz FSUASZBIGIVIIW-MRXNPFEDSA-N 2 2 346.475 1.500 20 0 EDADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000121272228 442198654 /nfs/dbraw/zinc/19/86/54/442198654.db2.gz FSUASZBIGIVIIW-MRXNPFEDSA-N 2 2 346.475 1.500 20 0 EDADLP C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152347791 442200322 /nfs/dbraw/zinc/20/03/22/442200322.db2.gz ZPOVPFNRDHEAOM-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP C[N@H+](CC(=O)NCCOc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152347791 442200324 /nfs/dbraw/zinc/20/03/24/442200324.db2.gz ZPOVPFNRDHEAOM-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP C[NH+](CC(=O)NCCOc1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152347791 442200325 /nfs/dbraw/zinc/20/03/25/442200325.db2.gz ZPOVPFNRDHEAOM-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP C[NH+](CC(=O)NCCOc1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152347791 442200327 /nfs/dbraw/zinc/20/03/27/442200327.db2.gz ZPOVPFNRDHEAOM-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000164675695 442201344 /nfs/dbraw/zinc/20/13/44/442201344.db2.gz TVIPTNXSRGNFEO-FMKPAKJESA-N 2 2 332.448 1.454 20 0 EDADLP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000164777780 442203187 /nfs/dbraw/zinc/20/31/87/442203187.db2.gz NVGYYISXLNMMNI-HOTGVXAUSA-N 2 2 331.464 1.786 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000163233859 442152187 /nfs/dbraw/zinc/15/21/87/442152187.db2.gz JHHHLVUZWOKBCD-OAHLLOKOSA-N 3 2 341.459 1.605 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)cc1 ZINC000163233859 442152190 /nfs/dbraw/zinc/15/21/90/442152190.db2.gz JHHHLVUZWOKBCD-OAHLLOKOSA-N 2 2 341.459 1.605 20 0 EDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000165968886 442212502 /nfs/dbraw/zinc/21/25/02/442212502.db2.gz NAASPHUQOKNYKH-IBGZPJMESA-N 2 2 344.503 1.091 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)C(C)C)CC2)cc1F ZINC000152573380 442227208 /nfs/dbraw/zinc/22/72/08/442227208.db2.gz ZVJWEWXDZLUJAW-UHFFFAOYSA-N 2 2 337.439 1.819 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc1F ZINC000152573380 442227210 /nfs/dbraw/zinc/22/72/10/442227210.db2.gz ZVJWEWXDZLUJAW-UHFFFAOYSA-N 2 2 337.439 1.819 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCO1 ZINC000170766673 442260824 /nfs/dbraw/zinc/26/08/24/442260824.db2.gz SOXHNPXDTNETON-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCO1 ZINC000170766673 442260827 /nfs/dbraw/zinc/26/08/27/442260827.db2.gz SOXHNPXDTNETON-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000176891166 442267801 /nfs/dbraw/zinc/26/78/01/442267801.db2.gz ZFLLMFUSMYERJH-KRWDZBQOSA-N 2 2 330.432 1.959 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000176891179 442267996 /nfs/dbraw/zinc/26/79/96/442267996.db2.gz ZFLLMFUSMYERJH-QGZVFWFLSA-N 2 2 330.432 1.959 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000153242249 442270479 /nfs/dbraw/zinc/27/04/79/442270479.db2.gz NQTYCEWPWSKTND-JKSUJKDBSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000153242249 442270482 /nfs/dbraw/zinc/27/04/82/442270482.db2.gz NQTYCEWPWSKTND-JKSUJKDBSA-N 2 2 329.448 1.540 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153348848 442276774 /nfs/dbraw/zinc/27/67/74/442276774.db2.gz PSHBTCDBUJIRPF-CVEARBPZSA-N 2 2 331.464 1.642 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153348848 442276777 /nfs/dbraw/zinc/27/67/77/442276777.db2.gz PSHBTCDBUJIRPF-CVEARBPZSA-N 2 2 331.464 1.642 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170863245 442278593 /nfs/dbraw/zinc/27/85/93/442278593.db2.gz DAEYCWRGVZCUQY-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170863245 442278595 /nfs/dbraw/zinc/27/85/95/442278595.db2.gz DAEYCWRGVZCUQY-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000177024719 442287357 /nfs/dbraw/zinc/28/73/57/442287357.db2.gz URKPSAXREPLEMO-OAHLLOKOSA-N 2 2 341.415 1.236 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000177024719 442287359 /nfs/dbraw/zinc/28/73/59/442287359.db2.gz URKPSAXREPLEMO-OAHLLOKOSA-N 2 2 341.415 1.236 20 0 EDADLP Cc1noc(CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000154314404 442332218 /nfs/dbraw/zinc/33/22/18/442332218.db2.gz OOMWAMSIKFVJCQ-XYPWUTKMSA-N 2 2 347.463 1.080 20 0 EDADLP Cc1noc(CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000154314404 442332221 /nfs/dbraw/zinc/33/22/21/442332221.db2.gz OOMWAMSIKFVJCQ-XYPWUTKMSA-N 2 2 347.463 1.080 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)COc2ccccc2Cl)CC1 ZINC000177154488 442306582 /nfs/dbraw/zinc/30/65/82/442306582.db2.gz RKARUQJZFXTGQW-UHFFFAOYSA-N 2 2 339.867 1.861 20 0 EDADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129291522 442310092 /nfs/dbraw/zinc/31/00/92/442310092.db2.gz NUDRRIQDHIHDAN-QZTJIDSGSA-N 2 2 345.487 1.654 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171094020 442310482 /nfs/dbraw/zinc/31/04/82/442310482.db2.gz UGJJEEYTFPGHLA-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171094020 442310485 /nfs/dbraw/zinc/31/04/85/442310485.db2.gz UGJJEEYTFPGHLA-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171094020 442310488 /nfs/dbraw/zinc/31/04/88/442310488.db2.gz UGJJEEYTFPGHLA-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171094020 442310490 /nfs/dbraw/zinc/31/04/90/442310490.db2.gz UGJJEEYTFPGHLA-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CCOCC[N@H+](CC)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000171634903 442365248 /nfs/dbraw/zinc/36/52/48/442365248.db2.gz BQSSGONNRMUZCM-UHFFFAOYSA-N 2 2 347.503 1.998 20 0 EDADLP CCOCC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000171634903 442365250 /nfs/dbraw/zinc/36/52/50/442365250.db2.gz BQSSGONNRMUZCM-UHFFFAOYSA-N 2 2 347.503 1.998 20 0 EDADLP Cc1cccn2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)[nH+]c12 ZINC000155287265 442385907 /nfs/dbraw/zinc/38/59/07/442385907.db2.gz QEEXQNQOQFIKDA-KRWDZBQOSA-N 2 2 342.443 1.902 20 0 EDADLP Cc1cccn2cc(CNC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)[nH+]c12 ZINC000155287265 442385909 /nfs/dbraw/zinc/38/59/09/442385909.db2.gz QEEXQNQOQFIKDA-KRWDZBQOSA-N 2 2 342.443 1.902 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cnn(C)c1 ZINC000133638760 442427704 /nfs/dbraw/zinc/42/77/04/442427704.db2.gz WQJLDCZNPVQGFM-OAHLLOKOSA-N 2 2 329.452 1.073 20 0 EDADLP O[C@H](COc1ccccc1F)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172996912 442581236 /nfs/dbraw/zinc/58/12/36/442581236.db2.gz NUXPXQQIUSDNHG-CVEARBPZSA-N 2 2 338.423 1.220 20 0 EDADLP O[C@H](COc1ccccc1F)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172996912 442581240 /nfs/dbraw/zinc/58/12/40/442581240.db2.gz NUXPXQQIUSDNHG-CVEARBPZSA-N 2 2 338.423 1.220 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000186699770 442594906 /nfs/dbraw/zinc/59/49/06/442594906.db2.gz XISDGQTYLDJFIZ-XLIONFOSSA-N 2 2 345.487 1.863 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000192179019 442609329 /nfs/dbraw/zinc/60/93/29/442609329.db2.gz DFFWKWSLRWHESB-SFHVURJKSA-N 2 2 342.443 1.941 20 0 EDADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192143783 442602690 /nfs/dbraw/zinc/60/26/90/442602690.db2.gz FNDVTSYTFMMDKR-QGZVFWFLSA-N 2 2 348.472 1.694 20 0 EDADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192143783 442602696 /nfs/dbraw/zinc/60/26/96/442602696.db2.gz FNDVTSYTFMMDKR-QGZVFWFLSA-N 2 2 348.472 1.694 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000179082882 442567834 /nfs/dbraw/zinc/56/78/34/442567834.db2.gz YHUMIRKVFQINLJ-UHFFFAOYSA-N 2 2 337.468 1.334 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000179082882 442567843 /nfs/dbraw/zinc/56/78/43/442567843.db2.gz YHUMIRKVFQINLJ-UHFFFAOYSA-N 2 2 337.468 1.334 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000136121454 442651579 /nfs/dbraw/zinc/65/15/79/442651579.db2.gz PZGLIIZKIYWDJZ-MRXNPFEDSA-N 2 2 332.492 1.737 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000136121454 442651582 /nfs/dbraw/zinc/65/15/82/442651582.db2.gz PZGLIIZKIYWDJZ-MRXNPFEDSA-N 2 2 332.492 1.737 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000136207393 442655670 /nfs/dbraw/zinc/65/56/70/442655670.db2.gz VOPZUHGACMSCDQ-INIZCTEOSA-N 2 2 349.479 1.107 20 0 EDADLP COc1ccccc1CN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179278956 442611149 /nfs/dbraw/zinc/61/11/49/442611149.db2.gz RGBVPZFCHQFKES-UHFFFAOYSA-N 2 2 348.491 1.863 20 0 EDADLP Cc1cccc([C@H](O)CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000179302746 442616486 /nfs/dbraw/zinc/61/64/86/442616486.db2.gz OPZWCBAWMAPVTR-GOSISDBHSA-N 2 2 348.491 1.354 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000173189276 442620683 /nfs/dbraw/zinc/62/06/83/442620683.db2.gz BCSVRIUWAIFSSO-GJZGRUSLSA-N 2 2 337.468 1.448 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCN1S(C)(=O)=O ZINC000181612246 442706793 /nfs/dbraw/zinc/70/67/93/442706793.db2.gz UDHGUMRTFNBGAV-AWEZNQCLSA-N 2 2 334.445 1.338 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCN1S(C)(=O)=O ZINC000181612246 442706796 /nfs/dbraw/zinc/70/67/96/442706796.db2.gz UDHGUMRTFNBGAV-AWEZNQCLSA-N 2 2 334.445 1.338 20 0 EDADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000181035097 442677021 /nfs/dbraw/zinc/67/70/21/442677021.db2.gz PQQAVNUCOXGDCX-HKUYNNGSSA-N 2 2 345.487 1.887 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181113615 442680959 /nfs/dbraw/zinc/68/09/59/442680959.db2.gz UMRVOISWNSELNK-UHFFFAOYSA-N 2 2 330.432 1.920 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181113615 442680961 /nfs/dbraw/zinc/68/09/61/442680961.db2.gz UMRVOISWNSELNK-UHFFFAOYSA-N 2 2 330.432 1.920 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@H]2c2cccn2C)CC1 ZINC000193009119 442704821 /nfs/dbraw/zinc/70/48/21/442704821.db2.gz FIYBMOLCQOSCBP-IBGZPJMESA-N 2 2 334.508 1.815 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@H]2c2cccn2C)CC1 ZINC000193009119 442704823 /nfs/dbraw/zinc/70/48/23/442704823.db2.gz FIYBMOLCQOSCBP-IBGZPJMESA-N 2 2 334.508 1.815 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cn3cccc(C)c3[nH+]2)C1(C)C ZINC000188194581 442723271 /nfs/dbraw/zinc/72/32/71/442723271.db2.gz AYPSNPNZFZRILZ-KDOFPFPSSA-N 2 2 330.432 1.791 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)CC[C@H](C)[NH3+])CC2)c1 ZINC000193290760 442730295 /nfs/dbraw/zinc/73/02/95/442730295.db2.gz OAFCVZLIBFQAKR-AWEZNQCLSA-N 2 2 335.448 1.475 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000188701162 442792344 /nfs/dbraw/zinc/79/23/44/442792344.db2.gz PLOZBMHOTDLNSG-UONOGXRCSA-N 2 2 335.427 1.257 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc1F ZINC000182602141 442793595 /nfs/dbraw/zinc/79/35/95/442793595.db2.gz HDAHYICBOKAXQV-NSHDSACASA-N 2 2 325.409 1.843 20 0 EDADLP CC(C)c1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000182626955 442797346 /nfs/dbraw/zinc/79/73/46/442797346.db2.gz SREHUSXDHCJKDL-XYPWUTKMSA-N 2 2 333.480 1.936 20 0 EDADLP CC(C)c1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000182626955 442797348 /nfs/dbraw/zinc/79/73/48/442797348.db2.gz SREHUSXDHCJKDL-XYPWUTKMSA-N 2 2 333.480 1.936 20 0 EDADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193611610 442759288 /nfs/dbraw/zinc/75/92/88/442759288.db2.gz SMICHEXAHDYKNP-MZKHANEFSA-N 2 2 331.504 1.953 20 0 EDADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193611610 442759290 /nfs/dbraw/zinc/75/92/90/442759290.db2.gz SMICHEXAHDYKNP-MZKHANEFSA-N 2 2 331.504 1.953 20 0 EDADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193611610 442759292 /nfs/dbraw/zinc/75/92/92/442759292.db2.gz SMICHEXAHDYKNP-MZKHANEFSA-N 2 2 331.504 1.953 20 0 EDADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193611610 442759294 /nfs/dbraw/zinc/75/92/94/442759294.db2.gz SMICHEXAHDYKNP-MZKHANEFSA-N 2 2 331.504 1.953 20 0 EDADLP CC[N@H+](CCCNC(=O)N[C@H]1CC[NH+](CCOC)C1)c1ccccc1 ZINC000265536007 442814235 /nfs/dbraw/zinc/81/42/35/442814235.db2.gz KAXSHLMTCXRNOY-KRWDZBQOSA-N 2 2 348.491 1.923 20 0 EDADLP CC[N@@H+](CCCNC(=O)N[C@H]1CC[NH+](CCOC)C1)c1ccccc1 ZINC000265536007 442814239 /nfs/dbraw/zinc/81/42/39/442814239.db2.gz KAXSHLMTCXRNOY-KRWDZBQOSA-N 2 2 348.491 1.923 20 0 EDADLP CC[NH+](CCCNC(=O)N[C@H]1CC[N@H+](CCOC)C1)c1ccccc1 ZINC000265536007 442814243 /nfs/dbraw/zinc/81/42/43/442814243.db2.gz KAXSHLMTCXRNOY-KRWDZBQOSA-N 2 2 348.491 1.923 20 0 EDADLP CC[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1)c1ccccc1 ZINC000265536007 442814247 /nfs/dbraw/zinc/81/42/47/442814247.db2.gz KAXSHLMTCXRNOY-KRWDZBQOSA-N 2 2 348.491 1.923 20 0 EDADLP COCC[N@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000182730053 442815810 /nfs/dbraw/zinc/81/58/10/442815810.db2.gz NCFGVYSLEWUOKX-OAHLLOKOSA-N 2 2 329.485 1.944 20 0 EDADLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000182730053 442815813 /nfs/dbraw/zinc/81/58/13/442815813.db2.gz NCFGVYSLEWUOKX-OAHLLOKOSA-N 2 2 329.485 1.944 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCn3cc[nH+]c3)CC2)CC1 ZINC000182774340 442822997 /nfs/dbraw/zinc/82/29/97/442822997.db2.gz BPTIRCSPDCYGDC-UHFFFAOYSA-N 3 2 347.507 1.539 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000265558171 442824018 /nfs/dbraw/zinc/82/40/18/442824018.db2.gz TUQHWKAZTVYLTF-INIZCTEOSA-N 2 2 342.447 1.454 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000265558171 442824023 /nfs/dbraw/zinc/82/40/23/442824023.db2.gz TUQHWKAZTVYLTF-INIZCTEOSA-N 2 2 342.447 1.454 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)ccn1 ZINC000183235185 442909115 /nfs/dbraw/zinc/90/91/15/442909115.db2.gz STRNKHMDFKOILK-UHFFFAOYSA-N 2 2 339.399 1.600 20 0 EDADLP CC(C)OCCCNC(=O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182679743 318510259 /nfs/dbraw/zinc/51/02/59/318510259.db2.gz POJGMXOOFXCUOP-UHFFFAOYSA-N 2 2 336.480 1.917 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000189374447 442933204 /nfs/dbraw/zinc/93/32/04/442933204.db2.gz SWAMWEHQORILHQ-JKSUJKDBSA-N 2 2 328.501 1.469 20 0 EDADLP CC[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000183759578 442961153 /nfs/dbraw/zinc/96/11/53/442961153.db2.gz DZBADPOALPDXAM-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CC[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000183759578 442961159 /nfs/dbraw/zinc/96/11/59/442961159.db2.gz DZBADPOALPDXAM-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000266216929 443061462 /nfs/dbraw/zinc/06/14/62/443061462.db2.gz KXNJZMCUMNJLCV-HZPDHXFCSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000266216929 443061466 /nfs/dbraw/zinc/06/14/66/443061466.db2.gz KXNJZMCUMNJLCV-HZPDHXFCSA-N 2 2 342.443 1.459 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccccn3)C2)CC1 ZINC000268674934 443072756 /nfs/dbraw/zinc/07/27/56/443072756.db2.gz KZVNJMHHZUGQFL-HZPDHXFCSA-N 2 2 332.448 1.087 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccccn3)C2)CC1 ZINC000268674934 443072759 /nfs/dbraw/zinc/07/27/59/443072759.db2.gz KZVNJMHHZUGQFL-HZPDHXFCSA-N 2 2 332.448 1.087 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C)c2cc1C ZINC000297590343 318769711 /nfs/dbraw/zinc/76/97/11/318769711.db2.gz JFFWBMRMBDRBJF-RDTXWAMCSA-N 2 2 332.448 1.504 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)[NH+]1CCOCC1 ZINC000236631825 443141952 /nfs/dbraw/zinc/14/19/52/443141952.db2.gz LZLCBHIVDOZBPQ-MJGOQNOKSA-N 2 2 345.487 1.737 20 0 EDADLP CO[C@H]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000190400462 443101017 /nfs/dbraw/zinc/10/10/17/443101017.db2.gz OATOPFAICKZZAA-ZBFHGGJFSA-N 2 2 326.485 1.221 20 0 EDADLP CO[C@H]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000190400462 443101020 /nfs/dbraw/zinc/10/10/20/443101020.db2.gz OATOPFAICKZZAA-ZBFHGGJFSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770352 443103420 /nfs/dbraw/zinc/10/34/20/443103420.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770352 443103425 /nfs/dbraw/zinc/10/34/25/443103425.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268770352 443103426 /nfs/dbraw/zinc/10/34/26/443103426.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268770352 443103431 /nfs/dbraw/zinc/10/34/31/443103431.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 3 2 331.504 1.724 20 0 EDADLP C[NH+]1CCN(C(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000255765082 443109334 /nfs/dbraw/zinc/10/93/34/443109334.db2.gz AWTTVRUMBRRNCZ-YVMONPNESA-N 2 2 342.487 1.091 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nnc2ccccn21 ZINC000266401358 443117213 /nfs/dbraw/zinc/11/72/13/443117213.db2.gz HIBGHEMMLKRPKM-UHFFFAOYSA-N 2 2 345.451 1.219 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nnc2ccccn21 ZINC000266401358 443117216 /nfs/dbraw/zinc/11/72/16/443117216.db2.gz HIBGHEMMLKRPKM-UHFFFAOYSA-N 2 2 345.451 1.219 20 0 EDADLP COCc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)o1 ZINC000268828239 443120563 /nfs/dbraw/zinc/12/05/63/443120563.db2.gz ZPQMGWMWEJDKKE-UHFFFAOYSA-N 2 2 330.432 1.863 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)[nH+]1 ZINC000269034230 443178755 /nfs/dbraw/zinc/17/87/55/443178755.db2.gz VDHCWTZNTGDQOE-GDBMZVCRSA-N 2 2 330.432 1.580 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)[nH+]1 ZINC000269034230 443178760 /nfs/dbraw/zinc/17/87/60/443178760.db2.gz VDHCWTZNTGDQOE-GDBMZVCRSA-N 2 2 330.432 1.580 20 0 EDADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000262188158 443185966 /nfs/dbraw/zinc/18/59/66/443185966.db2.gz CALGHVFHRVFCOM-CQSZACIVSA-N 2 2 330.432 1.736 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000262240804 443187530 /nfs/dbraw/zinc/18/75/30/443187530.db2.gz BJNXGIADWDUMFG-KZNAEPCWSA-N 2 2 331.460 1.694 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000237904875 443188125 /nfs/dbraw/zinc/18/81/25/443188125.db2.gz XZPULUHKJSJCHC-KRWDZBQOSA-N 2 2 346.475 1.847 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245417072 443224811 /nfs/dbraw/zinc/22/48/11/443224811.db2.gz FSRKQAAGSJCOMI-HUUCEWRRSA-N 2 2 346.475 1.776 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245417072 443224813 /nfs/dbraw/zinc/22/48/13/443224813.db2.gz FSRKQAAGSJCOMI-HUUCEWRRSA-N 2 2 346.475 1.776 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245417072 443224814 /nfs/dbraw/zinc/22/48/14/443224814.db2.gz FSRKQAAGSJCOMI-HUUCEWRRSA-N 2 2 346.475 1.776 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245417072 443224817 /nfs/dbraw/zinc/22/48/17/443224817.db2.gz FSRKQAAGSJCOMI-HUUCEWRRSA-N 2 2 346.475 1.776 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000269210167 443234130 /nfs/dbraw/zinc/23/41/30/443234130.db2.gz BQDFSKKDELHNED-NJAFHUGGSA-N 2 2 342.443 1.078 20 0 EDADLP C[C@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000262680813 443207753 /nfs/dbraw/zinc/20/77/53/443207753.db2.gz XAOSJEUYMCYGKG-WBVHZDCISA-N 2 2 346.475 1.560 20 0 EDADLP Cn1c[nH+]cc1Cc1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC000350422346 319049394 /nfs/dbraw/zinc/04/93/94/319049394.db2.gz NADKCNDANODSRU-UHFFFAOYSA-N 2 2 338.415 1.813 20 0 EDADLP C[N@@H+]1CCO[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000351206305 319096189 /nfs/dbraw/zinc/09/61/89/319096189.db2.gz WLYTTZHIRGBJED-HNNXBMFYSA-N 2 2 325.372 1.985 20 0 EDADLP C[N@H+]1CCO[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000351206305 319096192 /nfs/dbraw/zinc/09/61/92/319096192.db2.gz WLYTTZHIRGBJED-HNNXBMFYSA-N 2 2 325.372 1.985 20 0 EDADLP C[N@H+](CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C1CC1 ZINC000269252713 443252201 /nfs/dbraw/zinc/25/22/01/443252201.db2.gz QDWCMGBULQSXHE-SFHVURJKSA-N 3 2 341.459 1.012 20 0 EDADLP C[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C1CC1 ZINC000269252713 443252204 /nfs/dbraw/zinc/25/22/04/443252204.db2.gz QDWCMGBULQSXHE-SFHVURJKSA-N 3 2 341.459 1.012 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411582944 319185496 /nfs/dbraw/zinc/18/54/96/319185496.db2.gz MMMAALFSZHIGQY-AWEZNQCLSA-N 2 2 329.404 1.216 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411582944 319185499 /nfs/dbraw/zinc/18/54/99/319185499.db2.gz MMMAALFSZHIGQY-AWEZNQCLSA-N 2 2 329.404 1.216 20 0 EDADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411612599 319188396 /nfs/dbraw/zinc/18/83/96/319188396.db2.gz AHLORUVWYYZJMS-ZWKOTPCHSA-N 2 2 332.444 1.781 20 0 EDADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411612599 319188398 /nfs/dbraw/zinc/18/83/98/319188398.db2.gz AHLORUVWYYZJMS-ZWKOTPCHSA-N 2 2 332.444 1.781 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(c3ncccc3Cl)C2)n1C ZINC000414375611 319325277 /nfs/dbraw/zinc/32/52/77/319325277.db2.gz FUVJJEZLRIIOHC-GFCCVEGCSA-N 2 2 334.855 1.903 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000415083308 319345774 /nfs/dbraw/zinc/34/57/74/319345774.db2.gz PQOBVRZHJWIUHU-SJORKVTESA-N 3 2 333.476 1.485 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415793359 319370725 /nfs/dbraw/zinc/37/07/25/319370725.db2.gz UJRMGPOWYYNWAL-SECBINFHSA-N 2 2 342.241 1.736 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000269282707 443265836 /nfs/dbraw/zinc/26/58/36/443265836.db2.gz GRIIURDGEBYEJV-QGZVFWFLSA-N 2 2 334.464 1.235 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1cccc(F)c1 ZINC000416923626 319475971 /nfs/dbraw/zinc/47/59/71/319475971.db2.gz WFPXLHQCUCGNCM-HUUCEWRRSA-N 2 2 331.395 1.685 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416928583 319476914 /nfs/dbraw/zinc/47/69/14/319476914.db2.gz YNXXACXPLVCQHZ-UHOFOFEASA-N 2 2 345.422 1.946 20 0 EDADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc2[nH+]ccn2c1 ZINC000264538102 443318300 /nfs/dbraw/zinc/31/83/00/443318300.db2.gz KQRZTDXIGPOGNG-UHFFFAOYSA-N 2 2 328.416 1.709 20 0 EDADLP CN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000264543646 443319844 /nfs/dbraw/zinc/31/98/44/443319844.db2.gz OOKBVZJVUUKZQM-UHFFFAOYSA-N 2 2 330.436 1.093 20 0 EDADLP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1[nH+]ccn1C ZINC000272509465 443345139 /nfs/dbraw/zinc/34/51/39/443345139.db2.gz FWXZEFPGVCZUFQ-MRXNPFEDSA-N 2 2 329.448 1.271 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCNc1cccc[nH+]1 ZINC000278660249 443393336 /nfs/dbraw/zinc/39/33/36/443393336.db2.gz AVBZVGUUBNZEMT-UHFFFAOYSA-N 2 2 349.479 1.636 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCNc1cccc[nH+]1 ZINC000278660249 443393339 /nfs/dbraw/zinc/39/33/39/443393339.db2.gz AVBZVGUUBNZEMT-UHFFFAOYSA-N 2 2 349.479 1.636 20 0 EDADLP CC(C)C(=O)NCC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278530166 443354977 /nfs/dbraw/zinc/35/49/77/443354977.db2.gz DXZMTUIQFOIBRO-IBGZPJMESA-N 2 2 347.503 1.982 20 0 EDADLP CC(C)C(=O)NCC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278530166 443354981 /nfs/dbraw/zinc/35/49/81/443354981.db2.gz DXZMTUIQFOIBRO-IBGZPJMESA-N 2 2 347.503 1.982 20 0 EDADLP CC(C)C(=O)NCC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278530166 443354984 /nfs/dbraw/zinc/35/49/84/443354984.db2.gz DXZMTUIQFOIBRO-IBGZPJMESA-N 2 2 347.503 1.982 20 0 EDADLP CC(C)C(=O)NCC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278530166 443354990 /nfs/dbraw/zinc/35/49/90/443354990.db2.gz DXZMTUIQFOIBRO-IBGZPJMESA-N 2 2 347.503 1.982 20 0 EDADLP C[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[NH+]1CCSCC1 ZINC000269722574 443411420 /nfs/dbraw/zinc/41/14/20/443411420.db2.gz XWOBFPSJEYFRKG-GXTWGEPZSA-N 2 2 327.519 1.904 20 0 EDADLP COc1cccc([C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000278710396 443409131 /nfs/dbraw/zinc/40/91/31/443409131.db2.gz SCFMJDNZWTZYDI-QGZVFWFLSA-N 2 2 349.475 1.525 20 0 EDADLP O=C(NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000422952667 319740770 /nfs/dbraw/zinc/74/07/70/319740770.db2.gz BVVIUCHLJFXEAU-JKSUJKDBSA-N 2 2 337.851 1.426 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000422953364 319741318 /nfs/dbraw/zinc/74/13/18/319741318.db2.gz FAVQJTIDLZGRJH-STQMWFEESA-N 2 2 325.840 1.426 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000422978704 319744566 /nfs/dbraw/zinc/74/45/66/319744566.db2.gz KFPGQDMTSLHEBF-OJLVUWQFSA-N 2 2 328.403 1.580 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000283025476 443500294 /nfs/dbraw/zinc/50/02/94/443500294.db2.gz HFEYHKFUKQNLFA-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000283025476 443500295 /nfs/dbraw/zinc/50/02/95/443500295.db2.gz HFEYHKFUKQNLFA-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CN(CCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283025476 443500296 /nfs/dbraw/zinc/50/02/96/443500296.db2.gz HFEYHKFUKQNLFA-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CN(CCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283025476 443500297 /nfs/dbraw/zinc/50/02/97/443500297.db2.gz HFEYHKFUKQNLFA-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc([C@H]3CC[NH2+]C3)n[nH]1)C2 ZINC000279097892 443512799 /nfs/dbraw/zinc/51/27/99/443512799.db2.gz WZHHMJNJCPAUQJ-LBPRGKRZSA-N 2 2 342.447 1.542 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279169906 443523074 /nfs/dbraw/zinc/52/30/74/443523074.db2.gz QRRZSRPIUSGUGM-KRWDZBQOSA-N 2 2 327.432 1.302 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279169906 443523076 /nfs/dbraw/zinc/52/30/76/443523076.db2.gz QRRZSRPIUSGUGM-KRWDZBQOSA-N 2 2 327.432 1.302 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000265181837 443561014 /nfs/dbraw/zinc/56/10/14/443561014.db2.gz CHJGFAZZEMLUSM-MRXNPFEDSA-N 2 2 340.439 1.344 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000265181837 443561019 /nfs/dbraw/zinc/56/10/19/443561019.db2.gz CHJGFAZZEMLUSM-MRXNPFEDSA-N 2 2 340.439 1.344 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000272282276 443578940 /nfs/dbraw/zinc/57/89/40/443578940.db2.gz UGNZJOGEUCPCMY-HNNXBMFYSA-N 2 2 325.416 1.825 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000265400038 443629082 /nfs/dbraw/zinc/62/90/82/443629082.db2.gz IEIXEVQNOPBFAT-IEBWSBKVSA-N 2 2 347.503 1.980 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000265400038 443629085 /nfs/dbraw/zinc/62/90/85/443629085.db2.gz IEIXEVQNOPBFAT-IEBWSBKVSA-N 2 2 347.503 1.980 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443865129 320113189 /nfs/dbraw/zinc/11/31/89/320113189.db2.gz ABGRYZWGHMSHKS-CVEARBPZSA-N 2 2 332.448 1.159 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448972734 320167741 /nfs/dbraw/zinc/16/77/41/320167741.db2.gz VDVHLOXLADUEID-CQSZACIVSA-N 2 2 329.404 1.108 20 0 EDADLP Cc1cccc2c1C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)O2 ZINC000448976151 320168689 /nfs/dbraw/zinc/16/86/89/320168689.db2.gz LFUBMHSHVWOROC-IBGZPJMESA-N 2 2 345.487 1.783 20 0 EDADLP Cc1cccc2c1C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)O2 ZINC000448976151 320168690 /nfs/dbraw/zinc/16/86/90/320168690.db2.gz LFUBMHSHVWOROC-IBGZPJMESA-N 2 2 345.487 1.783 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389129 320187170 /nfs/dbraw/zinc/18/71/70/320187170.db2.gz RIMGJZRLQQPEQL-RHSMWYFYSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389129 320187173 /nfs/dbraw/zinc/18/71/73/320187173.db2.gz RIMGJZRLQQPEQL-RHSMWYFYSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cncn2)cc1 ZINC000453271896 320261851 /nfs/dbraw/zinc/26/18/51/320261851.db2.gz UPOGUTCGNBCVLM-MAUKXSAKSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(-n2cncn2)cc1 ZINC000453271896 320261852 /nfs/dbraw/zinc/26/18/52/320261852.db2.gz UPOGUTCGNBCVLM-MAUKXSAKSA-N 2 2 329.448 1.765 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000492908674 320390753 /nfs/dbraw/zinc/39/07/53/320390753.db2.gz GPNARYCKWQXIBX-OSJSJHBBSA-N 2 2 326.400 1.306 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000492908674 320390754 /nfs/dbraw/zinc/39/07/54/320390754.db2.gz GPNARYCKWQXIBX-OSJSJHBBSA-N 2 2 326.400 1.306 20 0 EDADLP O=C1NC2(CO1)CC[NH+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000496788416 320414330 /nfs/dbraw/zinc/41/43/30/320414330.db2.gz ZKJANNXCRORMIJ-UHFFFAOYSA-N 2 2 345.443 1.593 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)n3cccn3)CC2)CC1 ZINC000616381133 450406839 /nfs/dbraw/zinc/40/68/39/450406839.db2.gz JTYVFJHULICUCM-UHFFFAOYSA-N 2 2 347.507 1.637 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)n3cccn3)CC2)CC1 ZINC000616381133 450406842 /nfs/dbraw/zinc/40/68/42/450406842.db2.gz JTYVFJHULICUCM-UHFFFAOYSA-N 2 2 347.507 1.637 20 0 EDADLP COc1ccc([C@@H](NC(=O)Cn2c[nH+]cc2C)c2[nH+]ccn2C)cc1 ZINC000527776224 320525068 /nfs/dbraw/zinc/52/50/68/320525068.db2.gz ZZZGQVKNYREAEM-QGZVFWFLSA-N 2 2 339.399 1.839 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(O)cc(=O)[nH]3)CC2)CC1 ZINC000616381602 450407151 /nfs/dbraw/zinc/40/71/51/450407151.db2.gz VNDGZJJWDWWFJM-UHFFFAOYSA-N 2 2 348.447 1.125 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(O)cc(=O)[nH]3)CC2)CC1 ZINC000616381602 450407156 /nfs/dbraw/zinc/40/71/56/450407156.db2.gz VNDGZJJWDWWFJM-UHFFFAOYSA-N 2 2 348.447 1.125 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H]3C(=O)N(C)C)c2cc1C ZINC000298723166 443849176 /nfs/dbraw/zinc/84/91/76/443849176.db2.gz POCSXAPGXVEDNN-RDJZCZTQSA-N 2 2 344.459 1.567 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H]3C(=O)N(C)C)c2cc1C ZINC000298723166 443849179 /nfs/dbraw/zinc/84/91/79/443849179.db2.gz POCSXAPGXVEDNN-RDJZCZTQSA-N 2 2 344.459 1.567 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000292685139 443817956 /nfs/dbraw/zinc/81/79/56/443817956.db2.gz NEZRDYNHCHKJPG-CQSZACIVSA-N 2 2 348.447 1.390 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000285049090 443836246 /nfs/dbraw/zinc/83/62/46/443836246.db2.gz KYMIPTFJSMVAED-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000530684651 320635685 /nfs/dbraw/zinc/63/56/85/320635685.db2.gz AZFQWNGQCIAZNB-GJZGRUSLSA-N 2 2 334.468 1.110 20 0 EDADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC000285199620 443891803 /nfs/dbraw/zinc/89/18/03/443891803.db2.gz FFWYAHNDIUQROL-FQEVSTJZSA-N 2 2 345.487 1.690 20 0 EDADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC000285199620 443891806 /nfs/dbraw/zinc/89/18/06/443891806.db2.gz FFWYAHNDIUQROL-FQEVSTJZSA-N 2 2 345.487 1.690 20 0 EDADLP C[C@H](Cc1ccsc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540184971 320758576 /nfs/dbraw/zinc/75/85/76/320758576.db2.gz XLHMUADKDPWKAA-ZBFHGGJFSA-N 2 2 337.489 1.202 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)cn2cc[nH+]c12 ZINC000293024089 443905356 /nfs/dbraw/zinc/90/53/56/443905356.db2.gz IFMSOEPBQSGQRA-UHFFFAOYSA-N 2 2 343.431 1.524 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)cn2cc[nH+]c12 ZINC000293024089 443905362 /nfs/dbraw/zinc/90/53/62/443905362.db2.gz IFMSOEPBQSGQRA-UHFFFAOYSA-N 2 2 343.431 1.524 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000277159918 443922500 /nfs/dbraw/zinc/92/25/00/443922500.db2.gz KDJOQNFXPXZLKU-ZDUSSCGKSA-N 2 2 338.477 1.490 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000277159918 443922504 /nfs/dbraw/zinc/92/25/04/443922504.db2.gz KDJOQNFXPXZLKU-ZDUSSCGKSA-N 2 2 338.477 1.490 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000299242507 443993736 /nfs/dbraw/zinc/99/37/36/443993736.db2.gz NBOFMMZHDMTRPE-UHFFFAOYSA-N 2 2 328.416 1.667 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000299242507 443993739 /nfs/dbraw/zinc/99/37/39/443993739.db2.gz NBOFMMZHDMTRPE-UHFFFAOYSA-N 2 2 328.416 1.667 20 0 EDADLP CC(C)[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccco1 ZINC000299456373 444051575 /nfs/dbraw/zinc/05/15/75/444051575.db2.gz YDDNSSPSZFBZSG-UHFFFAOYSA-N 2 2 337.464 1.717 20 0 EDADLP CC(C)[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccco1 ZINC000299456373 444051581 /nfs/dbraw/zinc/05/15/81/444051581.db2.gz YDDNSSPSZFBZSG-UHFFFAOYSA-N 2 2 337.464 1.717 20 0 EDADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299315761 444015353 /nfs/dbraw/zinc/01/53/53/444015353.db2.gz PCCUJNBFZKVRCL-GXTWGEPZSA-N 2 2 329.404 1.118 20 0 EDADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299315761 444015355 /nfs/dbraw/zinc/01/53/55/444015355.db2.gz PCCUJNBFZKVRCL-GXTWGEPZSA-N 2 2 329.404 1.118 20 0 EDADLP O=C(CN1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000299369071 444030067 /nfs/dbraw/zinc/03/00/67/444030067.db2.gz YFHVQYGVFBOPOZ-UHFFFAOYSA-N 2 2 342.487 1.111 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC000299522840 444069703 /nfs/dbraw/zinc/06/97/03/444069703.db2.gz ZIQPQYTVVYDPNU-UHFFFAOYSA-N 2 2 346.519 1.781 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000299522840 444069704 /nfs/dbraw/zinc/06/97/04/444069704.db2.gz ZIQPQYTVVYDPNU-UHFFFAOYSA-N 2 2 346.519 1.781 20 0 EDADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1(S(C)(=O)=O)CC1 ZINC000556845632 320994945 /nfs/dbraw/zinc/99/49/45/320994945.db2.gz VIFJHSJLGYSFMI-NSHDSACASA-N 2 2 325.459 1.989 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000557113713 320999828 /nfs/dbraw/zinc/99/98/28/320999828.db2.gz QVOAQDXMYDTQGA-FMKPAKJESA-N 2 2 347.463 1.246 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000557355217 321002998 /nfs/dbraw/zinc/00/29/98/321002998.db2.gz PRQVUGDVDGZWMI-UHFFFAOYSA-N 2 2 327.388 1.016 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)n1C ZINC000557925622 321008998 /nfs/dbraw/zinc/00/89/98/321008998.db2.gz KBZMPABEDMGKQP-ZDUSSCGKSA-N 2 2 331.424 1.170 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC000561015208 321031464 /nfs/dbraw/zinc/03/14/64/321031464.db2.gz DWEJZHIRBWSFST-ZFWWWQNUSA-N 2 2 343.431 1.604 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC000561015208 321031465 /nfs/dbraw/zinc/03/14/65/321031465.db2.gz DWEJZHIRBWSFST-ZFWWWQNUSA-N 2 2 343.431 1.604 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000561902679 321044716 /nfs/dbraw/zinc/04/47/16/321044716.db2.gz WOOQTFWYVCHHOZ-DZGCQCFKSA-N 2 2 349.479 1.358 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000561902679 321044717 /nfs/dbraw/zinc/04/47/17/321044717.db2.gz WOOQTFWYVCHHOZ-DZGCQCFKSA-N 2 2 349.479 1.358 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000562762303 321075056 /nfs/dbraw/zinc/07/50/56/321075056.db2.gz IASRGAGBRSYZOR-ZDUSSCGKSA-N 2 2 329.404 1.167 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000562815562 321078383 /nfs/dbraw/zinc/07/83/83/321078383.db2.gz CEHHQDVVRWYGAW-QLFBSQMISA-N 2 2 334.468 1.186 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000562985172 321084935 /nfs/dbraw/zinc/08/49/35/321084935.db2.gz IADOFBBUEPSJOB-QGZVFWFLSA-N 2 2 346.500 1.508 20 0 EDADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(O[C@@H]2CCOC2)c1 ZINC000562990546 321085964 /nfs/dbraw/zinc/08/59/64/321085964.db2.gz HMRCCQCMXLQWRW-QZTJIDSGSA-N 2 2 334.460 1.707 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000563094316 321095078 /nfs/dbraw/zinc/09/50/78/321095078.db2.gz CAABNTMJPDURSW-DOTOQJQBSA-N 2 2 334.464 1.843 20 0 EDADLP FC(F)c1noc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000564880444 321153681 /nfs/dbraw/zinc/15/36/81/321153681.db2.gz HJLZGIFYDPTFIS-UHFFFAOYSA-N 2 2 330.379 1.942 20 0 EDADLP CCCCOc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000565234815 321177740 /nfs/dbraw/zinc/17/77/40/321177740.db2.gz YZDFJFOKTWOQCS-JKSUJKDBSA-N 2 2 347.459 1.618 20 0 EDADLP CCCCOc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000565234815 321177741 /nfs/dbraw/zinc/17/77/41/321177741.db2.gz YZDFJFOKTWOQCS-JKSUJKDBSA-N 2 2 347.459 1.618 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000565534773 321189750 /nfs/dbraw/zinc/18/97/50/321189750.db2.gz MADLUDXVOYGLBG-UHFFFAOYSA-N 2 2 331.420 1.909 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000565647394 321194413 /nfs/dbraw/zinc/19/44/13/321194413.db2.gz YZHDWXRFCOZQQJ-UHFFFAOYSA-N 2 2 325.416 1.981 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000566108421 321215530 /nfs/dbraw/zinc/21/55/30/321215530.db2.gz ZRCSPKCMLCBQTM-MSOLQXFVSA-N 2 2 336.476 1.744 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000566108421 321215532 /nfs/dbraw/zinc/21/55/32/321215532.db2.gz ZRCSPKCMLCBQTM-MSOLQXFVSA-N 2 2 336.476 1.744 20 0 EDADLP c1c[nH+]c(N2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)[nH]1 ZINC000566416545 321229270 /nfs/dbraw/zinc/22/92/70/321229270.db2.gz MVQBIFSHDGPXSH-UHFFFAOYSA-N 3 2 341.459 1.564 20 0 EDADLP C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@H](C)[NH3+] ZINC000567849058 321262827 /nfs/dbraw/zinc/26/28/27/321262827.db2.gz KGIBBCGNZSXZEM-QWHCGFSZSA-N 2 2 329.404 1.377 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000568289756 321286304 /nfs/dbraw/zinc/28/63/04/321286304.db2.gz PDPVXQILDNIEEB-NTDBWNAOSA-N 2 2 340.508 1.595 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000568289756 321286306 /nfs/dbraw/zinc/28/63/06/321286306.db2.gz PDPVXQILDNIEEB-NTDBWNAOSA-N 2 2 340.508 1.595 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000568289756 321286307 /nfs/dbraw/zinc/28/63/07/321286307.db2.gz PDPVXQILDNIEEB-NTDBWNAOSA-N 2 2 340.508 1.595 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000568289756 321286308 /nfs/dbraw/zinc/28/63/08/321286308.db2.gz PDPVXQILDNIEEB-NTDBWNAOSA-N 2 2 340.508 1.595 20 0 EDADLP C[C@@H](O)c1ncc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000289295474 444099748 /nfs/dbraw/zinc/09/97/48/444099748.db2.gz QFIUENLMJHMBQC-TZMCWYRMSA-N 2 2 340.493 1.229 20 0 EDADLP C[C@@H](O)c1ncc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000289295474 444099751 /nfs/dbraw/zinc/09/97/51/444099751.db2.gz QFIUENLMJHMBQC-TZMCWYRMSA-N 2 2 340.493 1.229 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(N)c2ccccc2n1 ZINC000299630551 444100275 /nfs/dbraw/zinc/10/02/75/444100275.db2.gz JZSYQPFGSKPMLS-UHFFFAOYSA-N 2 2 342.491 1.670 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(N)c2ccccc2n1 ZINC000299630551 444100278 /nfs/dbraw/zinc/10/02/78/444100278.db2.gz JZSYQPFGSKPMLS-UHFFFAOYSA-N 2 2 342.491 1.670 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)n1C ZINC000569478204 321327257 /nfs/dbraw/zinc/32/72/57/321327257.db2.gz MUZQBIDFORVYSK-MRXNPFEDSA-N 2 2 342.447 1.162 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c(C)c1 ZINC000570525260 321345248 /nfs/dbraw/zinc/34/52/48/321345248.db2.gz IGTFDBYQIFYNNA-CVEARBPZSA-N 2 2 346.475 1.478 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c(C)c1 ZINC000570525260 321345249 /nfs/dbraw/zinc/34/52/49/321345249.db2.gz IGTFDBYQIFYNNA-CVEARBPZSA-N 2 2 346.475 1.478 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000570564795 321347986 /nfs/dbraw/zinc/34/79/86/321347986.db2.gz GBRJFRIONLLTBL-POAQFYNOSA-N 2 2 348.487 1.796 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000570564795 321347987 /nfs/dbraw/zinc/34/79/87/321347987.db2.gz GBRJFRIONLLTBL-POAQFYNOSA-N 2 2 348.487 1.796 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000289322717 444107644 /nfs/dbraw/zinc/10/76/44/444107644.db2.gz KDPUTADFUSHXCF-UHFFFAOYSA-N 2 2 325.478 1.678 20 0 EDADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1(C(N)=O)CCCC1 ZINC000285797436 444110693 /nfs/dbraw/zinc/11/06/93/444110693.db2.gz YITUTIOOJAJEGK-UHFFFAOYSA-N 2 2 344.503 1.929 20 0 EDADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1(C(N)=O)CCCC1 ZINC000285797436 444110696 /nfs/dbraw/zinc/11/06/96/444110696.db2.gz YITUTIOOJAJEGK-UHFFFAOYSA-N 2 2 344.503 1.929 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289416880 444137145 /nfs/dbraw/zinc/13/71/45/444137145.db2.gz UHCZCBAZKXCTPW-LSDHHAIUSA-N 2 2 334.464 1.858 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289416880 444137148 /nfs/dbraw/zinc/13/71/48/444137148.db2.gz UHCZCBAZKXCTPW-LSDHHAIUSA-N 2 2 334.464 1.858 20 0 EDADLP CCOC1CC(CNC(=O)CCCC[NH+](C)C)([NH+]2CCOCC2)C1 ZINC000572585566 321432790 /nfs/dbraw/zinc/43/27/90/321432790.db2.gz BRNUGLHZURHIBW-UHFFFAOYSA-N 2 2 341.496 1.104 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2N(C)C1CC[NH+](C(C)C)CC1 ZINC000301163119 444150438 /nfs/dbraw/zinc/15/04/38/444150438.db2.gz CSIRIXBAKBVNHQ-UHFFFAOYSA-N 2 2 346.435 1.308 20 0 EDADLP CCC[C@H](C)[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000573497280 321457598 /nfs/dbraw/zinc/45/75/98/321457598.db2.gz WJDAVBCJMTZYCN-GOEBONIOSA-N 2 2 328.501 1.109 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289492154 444157661 /nfs/dbraw/zinc/15/76/61/444157661.db2.gz JNBKLJRKHLNKSD-COXVUDFISA-N 2 2 326.387 1.840 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289492154 444157665 /nfs/dbraw/zinc/15/76/65/444157665.db2.gz JNBKLJRKHLNKSD-COXVUDFISA-N 2 2 326.387 1.840 20 0 EDADLP Cc1cnn(C)c1C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000289521204 444164254 /nfs/dbraw/zinc/16/42/54/444164254.db2.gz PINBYLBRICTJNW-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1cnn(C)c1C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000289521204 444164257 /nfs/dbraw/zinc/16/42/57/444164257.db2.gz PINBYLBRICTJNW-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1)C1CC1 ZINC000289526810 444165701 /nfs/dbraw/zinc/16/57/01/444165701.db2.gz MWSRTPVWGJIYCP-IBGZPJMESA-N 2 2 332.488 1.759 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1)C1CC1 ZINC000289526810 444165704 /nfs/dbraw/zinc/16/57/04/444165704.db2.gz MWSRTPVWGJIYCP-IBGZPJMESA-N 2 2 332.488 1.759 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@H]21 ZINC000294535666 444122390 /nfs/dbraw/zinc/12/23/90/444122390.db2.gz AIMQYKGYEJKSAB-FCGDIQPGSA-N 2 2 330.472 1.809 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@H]21 ZINC000294535666 444122393 /nfs/dbraw/zinc/12/23/93/444122393.db2.gz AIMQYKGYEJKSAB-FCGDIQPGSA-N 2 2 330.472 1.809 20 0 EDADLP CS[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000296165569 444208883 /nfs/dbraw/zinc/20/88/83/444208883.db2.gz HPGUQSIRVCKLPX-KRWDZBQOSA-N 2 2 333.501 1.768 20 0 EDADLP CS[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000296165569 444208884 /nfs/dbraw/zinc/20/88/84/444208884.db2.gz HPGUQSIRVCKLPX-KRWDZBQOSA-N 2 2 333.501 1.768 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3C(N)=O)CC2)cn1 ZINC000302233717 444210235 /nfs/dbraw/zinc/21/02/35/444210235.db2.gz TVELXYJYCFAYCY-UHFFFAOYSA-N 2 2 342.447 1.499 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3C(N)=O)CC2)cn1 ZINC000302233717 444210237 /nfs/dbraw/zinc/21/02/37/444210237.db2.gz TVELXYJYCFAYCY-UHFFFAOYSA-N 2 2 342.447 1.499 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)nc[nH+]2)C1 ZINC000302482889 444214642 /nfs/dbraw/zinc/21/46/42/444214642.db2.gz HFLJWIJEXKGZOJ-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)nc[nH+]2)C1 ZINC000302482889 444214644 /nfs/dbraw/zinc/21/46/44/444214644.db2.gz HFLJWIJEXKGZOJ-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC000302526239 444215662 /nfs/dbraw/zinc/21/56/62/444215662.db2.gz ZXSGMXAVMZOVMB-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC000302526239 444215665 /nfs/dbraw/zinc/21/56/65/444215665.db2.gz ZXSGMXAVMZOVMB-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)[NH+]2CCOCC2)c1 ZINC000296268469 444215930 /nfs/dbraw/zinc/21/59/30/444215930.db2.gz DPRZLKZSZJRQCW-MAUKXSAKSA-N 2 2 331.460 1.625 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([NH+]3CCCC3)CC2)nc[nH+]1 ZINC000301505635 444175914 /nfs/dbraw/zinc/17/59/14/444175914.db2.gz GTRVNIGADVFMQW-MRXNPFEDSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([NH+]3CCCC3)CC2)[nH+]cn1 ZINC000301505635 444175918 /nfs/dbraw/zinc/17/59/18/444175918.db2.gz GTRVNIGADVFMQW-MRXNPFEDSA-N 2 2 331.464 1.502 20 0 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CC1=CC[N@H+](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000302840913 444227191 /nfs/dbraw/zinc/22/71/91/444227191.db2.gz LWIKRQWOUSNUOA-INIZCTEOSA-N 2 2 331.464 1.892 20 0 EDADLP CC1=CC[N@@H+](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000302840913 444227193 /nfs/dbraw/zinc/22/71/93/444227193.db2.gz LWIKRQWOUSNUOA-INIZCTEOSA-N 2 2 331.464 1.892 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000304294920 444245612 /nfs/dbraw/zinc/24/56/12/444245612.db2.gz FFTFCCVNCARGRZ-ZSYWTGECSA-N 2 2 339.524 1.264 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000304294920 444245613 /nfs/dbraw/zinc/24/56/13/444245613.db2.gz FFTFCCVNCARGRZ-ZSYWTGECSA-N 2 2 339.524 1.264 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(Br)cc1 ZINC000312710155 444295148 /nfs/dbraw/zinc/29/51/48/444295148.db2.gz HFZQVSAKIAQFQP-OAHLLOKOSA-N 2 2 345.281 1.820 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(Br)cc1 ZINC000312710155 444295151 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O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659691 444418111 /nfs/dbraw/zinc/41/81/11/444418111.db2.gz UAENIQHGEYAOKU-NVXWUHKLSA-N 2 2 346.475 1.382 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000578778293 321831118 /nfs/dbraw/zinc/83/11/18/321831118.db2.gz PGHRGGFAEPMUSM-UHFFFAOYSA-N 3 2 342.487 1.072 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000331060536 444378734 /nfs/dbraw/zinc/37/87/34/444378734.db2.gz SZFLHLNMDFAPOS-UHFFFAOYSA-N 2 2 332.448 1.820 20 0 EDADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000340473649 444392251 /nfs/dbraw/zinc/39/22/51/444392251.db2.gz JTWFSPZYJNQUMG-LBPRGKRZSA-N 2 2 330.270 1.929 20 0 EDADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000340473649 444392256 /nfs/dbraw/zinc/39/22/56/444392256.db2.gz JTWFSPZYJNQUMG-LBPRGKRZSA-N 2 2 330.270 1.929 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]ccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000298031125 444392538 /nfs/dbraw/zinc/39/25/38/444392538.db2.gz QSGYAMHUBUNMKE-UKRRQHHQSA-N 2 2 336.436 1.077 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]ccc2OC)CC[N@H+]1C[C@@H](C)O ZINC000298031125 444392542 /nfs/dbraw/zinc/39/25/42/444392542.db2.gz QSGYAMHUBUNMKE-UKRRQHHQSA-N 2 2 336.436 1.077 20 0 EDADLP CC(C)[NH+]1CCN(C2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000340588991 444451338 /nfs/dbraw/zinc/45/13/38/444451338.db2.gz VJBWUWRNJXPCAB-UHFFFAOYSA-N 2 2 332.496 1.537 20 0 EDADLP CC(C)N1CC[NH+](C2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000340588991 444451339 /nfs/dbraw/zinc/45/13/39/444451339.db2.gz VJBWUWRNJXPCAB-UHFFFAOYSA-N 2 2 332.496 1.537 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340651803 444471677 /nfs/dbraw/zinc/47/16/77/444471677.db2.gz UDFSZZURSFMGJJ-CVEARBPZSA-N 2 2 349.479 1.159 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340651803 444471678 /nfs/dbraw/zinc/47/16/78/444471678.db2.gz UDFSZZURSFMGJJ-CVEARBPZSA-N 2 2 349.479 1.159 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000580080092 322007506 /nfs/dbraw/zinc/00/75/06/322007506.db2.gz PLNUUULWDNNNQE-HIFRSBDPSA-N 2 2 326.404 1.267 20 0 EDADLP COc1cc(F)cc(C[C@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000580293811 322032190 /nfs/dbraw/zinc/03/21/90/322032190.db2.gz UZZLCHQKBCHULU-SWLSCSKDSA-N 2 2 338.427 1.050 20 0 EDADLP COc1cc(F)cc(C[C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000580293811 322032191 /nfs/dbraw/zinc/03/21/91/322032191.db2.gz UZZLCHQKBCHULU-SWLSCSKDSA-N 2 2 338.427 1.050 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000580373344 322042289 /nfs/dbraw/zinc/04/22/89/322042289.db2.gz RGBRQWZQRUTTSY-UHFFFAOYSA-N 2 2 328.420 1.279 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccncn3)CC2)CC1 ZINC000581184556 322145759 /nfs/dbraw/zinc/14/57/59/322145759.db2.gz WGSUWVXRDAMNCQ-UHFFFAOYSA-N 2 2 332.452 1.501 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccncn3)CC2)CC1 ZINC000581184556 322145760 /nfs/dbraw/zinc/14/57/60/322145760.db2.gz WGSUWVXRDAMNCQ-UHFFFAOYSA-N 2 2 332.452 1.501 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000581188237 322146703 /nfs/dbraw/zinc/14/67/03/322146703.db2.gz UNWJOWVVDCGBLC-SFHVURJKSA-N 2 2 330.476 1.890 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CC[NH+](C4CCC4)CC3)nc[nH+]2)C1 ZINC000329252772 444513315 /nfs/dbraw/zinc/51/33/15/444513315.db2.gz BZVHXAFULFDYIC-HNNXBMFYSA-N 2 2 331.464 1.360 20 0 EDADLP C[C@H]1OCC[C@@]1(C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332867947 444580005 /nfs/dbraw/zinc/58/00/05/444580005.db2.gz LYZVYKNIDALGJT-RDTXWAMCSA-N 2 2 338.496 1.412 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343711195 444537306 /nfs/dbraw/zinc/53/73/06/444537306.db2.gz FFWNPMPQFULFED-HZPDHXFCSA-N 2 2 338.540 1.780 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343711195 444537307 /nfs/dbraw/zinc/53/73/07/444537307.db2.gz FFWNPMPQFULFED-HZPDHXFCSA-N 2 2 338.540 1.780 20 0 EDADLP C[C@@H]1CN(Cc2nnc3n2CCCCC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343711096 444537325 /nfs/dbraw/zinc/53/73/25/444537325.db2.gz MIEVZXBKHUOLHW-MRXNPFEDSA-N 2 2 346.523 1.605 20 0 EDADLP C[C@@H]1CN(Cc2nnc3n2CCCCC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343711096 444537329 /nfs/dbraw/zinc/53/73/29/444537329.db2.gz MIEVZXBKHUOLHW-MRXNPFEDSA-N 2 2 346.523 1.605 20 0 EDADLP CCCCc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000338153655 444538195 /nfs/dbraw/zinc/53/81/95/444538195.db2.gz KNZUZUNBQLLQGG-GJZGRUSLSA-N 2 2 349.479 1.492 20 0 EDADLP CCCCc1nc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000338153655 444538201 /nfs/dbraw/zinc/53/82/01/444538201.db2.gz KNZUZUNBQLLQGG-GJZGRUSLSA-N 2 2 349.479 1.492 20 0 EDADLP COC(=O)c1ccoc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919614 444668973 /nfs/dbraw/zinc/66/89/73/444668973.db2.gz GPQNVGOVFURABA-GDBMZVCRSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1ccoc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919614 444668975 /nfs/dbraw/zinc/66/89/75/444668975.db2.gz GPQNVGOVFURABA-GDBMZVCRSA-N 2 2 335.448 1.524 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343925255 444673144 /nfs/dbraw/zinc/67/31/44/444673144.db2.gz OLXJTDRYLPCZKQ-GVDBMIGSSA-N 2 2 325.497 1.676 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343925255 444673146 /nfs/dbraw/zinc/67/31/46/444673146.db2.gz OLXJTDRYLPCZKQ-GVDBMIGSSA-N 2 2 325.497 1.676 20 0 EDADLP Cn1c(NCC(C)(C)[NH+]2CCS(=O)CC2)[nH+]c2cccc(F)c21 ZINC000333096665 444637650 /nfs/dbraw/zinc/63/76/50/444637650.db2.gz DSCQPHBFXMLHBO-UHFFFAOYSA-N 2 2 338.452 1.967 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343972639 444703337 /nfs/dbraw/zinc/70/33/37/444703337.db2.gz GNEBULCTHSFHMT-FGTMMUONSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343972639 444703341 /nfs/dbraw/zinc/70/33/41/444703341.db2.gz GNEBULCTHSFHMT-FGTMMUONSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000341185953 444716037 /nfs/dbraw/zinc/71/60/37/444716037.db2.gz BYFHZENWWRSRRB-JKSUJKDBSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000341185953 444716040 /nfs/dbraw/zinc/71/60/40/444716040.db2.gz BYFHZENWWRSRRB-JKSUJKDBSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000341185953 444716044 /nfs/dbraw/zinc/71/60/44/444716044.db2.gz BYFHZENWWRSRRB-JKSUJKDBSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000341185953 444716048 /nfs/dbraw/zinc/71/60/48/444716048.db2.gz BYFHZENWWRSRRB-JKSUJKDBSA-N 3 2 339.528 1.137 20 0 EDADLP CO[C@@H]1C[C@H](C(N)=O)[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000344013999 444728223 /nfs/dbraw/zinc/72/82/23/444728223.db2.gz PJDRQEGDMYBPHQ-IAGOWNOFSA-N 2 2 333.476 1.719 20 0 EDADLP CO[C@@H]1C[C@H](C(N)=O)[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000344013999 444728227 /nfs/dbraw/zinc/72/82/27/444728227.db2.gz PJDRQEGDMYBPHQ-IAGOWNOFSA-N 2 2 333.476 1.719 20 0 EDADLP CO[C@@H]1C[C@H](C(N)=O)[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000344013999 444728230 /nfs/dbraw/zinc/72/82/30/444728230.db2.gz PJDRQEGDMYBPHQ-IAGOWNOFSA-N 2 2 333.476 1.719 20 0 EDADLP CO[C@@H]1C[C@H](C(N)=O)[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000344013999 444728234 /nfs/dbraw/zinc/72/82/34/444728234.db2.gz PJDRQEGDMYBPHQ-IAGOWNOFSA-N 2 2 333.476 1.719 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000341360980 444795419 /nfs/dbraw/zinc/79/54/19/444795419.db2.gz HBLKCLBUDWEBQA-UHFFFAOYSA-N 2 2 326.462 1.291 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000342702653 444823920 /nfs/dbraw/zinc/82/39/20/444823920.db2.gz ZJHIYUHGZCOCKT-RYQLBKOJSA-N 2 2 331.460 1.564 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCO1 ZINC000341435897 444829652 /nfs/dbraw/zinc/82/96/52/444829652.db2.gz UPZKSSDIYBERNY-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCO1 ZINC000341435897 444829653 /nfs/dbraw/zinc/82/96/53/444829653.db2.gz UPZKSSDIYBERNY-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000344223059 444847318 /nfs/dbraw/zinc/84/73/18/444847318.db2.gz SCSKBXPSGUGVDG-BBRMVZONSA-N 2 2 326.462 1.399 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000344223059 444847322 /nfs/dbraw/zinc/84/73/22/444847322.db2.gz SCSKBXPSGUGVDG-BBRMVZONSA-N 2 2 326.462 1.399 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCOCC3)CC2)c1 ZINC000344249458 444863206 /nfs/dbraw/zinc/86/32/06/444863206.db2.gz SKVLQBXJSDBTCH-UHFFFAOYSA-N 2 2 331.460 1.362 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCOCC3)CC2)c1 ZINC000344249458 444863208 /nfs/dbraw/zinc/86/32/08/444863208.db2.gz SKVLQBXJSDBTCH-UHFFFAOYSA-N 2 2 331.460 1.362 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@]2(C)CCCC[C@H]2O)CC1 ZINC000342796658 444871514 /nfs/dbraw/zinc/87/15/14/444871514.db2.gz QMHDVVLHRDYESA-AEFFLSMTSA-N 2 2 326.481 1.935 20 0 EDADLP C[N@H+]([C@@H]1CCN(C2CC2)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000336880464 444828415 /nfs/dbraw/zinc/82/84/15/444828415.db2.gz QICCTWBFNPMXRQ-QGZVFWFLSA-N 2 2 331.464 1.043 20 0 EDADLP C[N@@H+]([C@@H]1CCN(C2CC2)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000336880464 444828417 /nfs/dbraw/zinc/82/84/17/444828417.db2.gz QICCTWBFNPMXRQ-QGZVFWFLSA-N 2 2 331.464 1.043 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2n1 ZINC000330267151 444914769 /nfs/dbraw/zinc/91/47/69/444914769.db2.gz QJBQEQZMWAMOGB-LLVKDONJSA-N 2 2 330.417 1.562 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)sc2n1 ZINC000330267151 444914770 /nfs/dbraw/zinc/91/47/70/444914770.db2.gz QJBQEQZMWAMOGB-LLVKDONJSA-N 2 2 330.417 1.562 20 0 EDADLP CCc1oc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1C(=O)OC ZINC000338941221 444947800 /nfs/dbraw/zinc/94/78/00/444947800.db2.gz DAVCYAUZMZDFHB-AWEZNQCLSA-N 2 2 337.420 1.058 20 0 EDADLP CCc1oc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1C(=O)OC ZINC000338941221 444947803 /nfs/dbraw/zinc/94/78/03/444947803.db2.gz DAVCYAUZMZDFHB-AWEZNQCLSA-N 2 2 337.420 1.058 20 0 EDADLP COC(=O)[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H](C)O1 ZINC000338960438 444955080 /nfs/dbraw/zinc/95/50/80/444955080.db2.gz KCYBHFJYOIYXPO-LRDDRELGSA-N 2 2 330.388 1.338 20 0 EDADLP COC(=O)[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H](C)O1 ZINC000338960438 444955086 /nfs/dbraw/zinc/95/50/86/444955086.db2.gz KCYBHFJYOIYXPO-LRDDRELGSA-N 2 2 330.388 1.338 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000341817956 445014731 /nfs/dbraw/zinc/01/47/31/445014731.db2.gz VJRNDIJHXFWXHH-INIZCTEOSA-N 2 2 329.448 1.734 20 0 EDADLP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000341876696 445048187 /nfs/dbraw/zinc/04/81/87/445048187.db2.gz MDJOAFTZFHMZPL-CHWSQXEVSA-N 2 2 326.412 1.950 20 0 EDADLP C[N@H+](CC(=O)Nc1nc2c(s1)C[NH+](C)CC2)[C@H]1CCSC1 ZINC000343095783 445061311 /nfs/dbraw/zinc/06/13/11/445061311.db2.gz LEQGGPJXLUQPTL-JTQLQIEISA-N 2 2 326.491 1.507 20 0 EDADLP C[N@@H+](CC(=O)Nc1nc2c(s1)C[NH+](C)CC2)[C@H]1CCSC1 ZINC000343095783 445061312 /nfs/dbraw/zinc/06/13/12/445061312.db2.gz LEQGGPJXLUQPTL-JTQLQIEISA-N 2 2 326.491 1.507 20 0 EDADLP C[NH+](CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2)[C@H]1CCSC1 ZINC000343095783 445061314 /nfs/dbraw/zinc/06/13/14/445061314.db2.gz LEQGGPJXLUQPTL-JTQLQIEISA-N 2 2 326.491 1.507 20 0 EDADLP C[NH+](CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)[C@H]1CCSC1 ZINC000343095783 445061315 /nfs/dbraw/zinc/06/13/15/445061315.db2.gz LEQGGPJXLUQPTL-JTQLQIEISA-N 2 2 326.491 1.507 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000344697563 445133005 /nfs/dbraw/zinc/13/30/05/445133005.db2.gz LJICMFXQMRYGDY-RDJZCZTQSA-N 3 2 338.540 1.543 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000344697563 445133012 /nfs/dbraw/zinc/13/30/12/445133012.db2.gz LJICMFXQMRYGDY-RDJZCZTQSA-N 3 2 338.540 1.543 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000337482766 445099292 /nfs/dbraw/zinc/09/92/92/445099292.db2.gz WVMNLGUEZANRPP-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000343167468 445109989 /nfs/dbraw/zinc/10/99/89/445109989.db2.gz JDMNWIMYJGXOOE-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000343167468 445109995 /nfs/dbraw/zinc/10/99/95/445109995.db2.gz JDMNWIMYJGXOOE-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)[NH+]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000343167468 445110000 /nfs/dbraw/zinc/11/00/00/445110000.db2.gz JDMNWIMYJGXOOE-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)[NH+]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000343167468 445110006 /nfs/dbraw/zinc/11/00/06/445110006.db2.gz JDMNWIMYJGXOOE-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000344764666 445141189 /nfs/dbraw/zinc/14/11/89/445141189.db2.gz BZMYDJZULFHUPH-TWMKSMIVSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000344764666 445141192 /nfs/dbraw/zinc/14/11/92/445141192.db2.gz BZMYDJZULFHUPH-TWMKSMIVSA-N 2 2 336.480 1.118 20 0 EDADLP CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339266426 445124855 /nfs/dbraw/zinc/12/48/55/445124855.db2.gz ZMQRITYOZYMZRK-BBWFWOEESA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339266426 445124860 /nfs/dbraw/zinc/12/48/60/445124860.db2.gz ZMQRITYOZYMZRK-BBWFWOEESA-N 2 2 325.497 1.724 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[C@H]([NH+]3CC=CC3)C1)CCC2 ZINC000337587637 445153073 /nfs/dbraw/zinc/15/30/73/445153073.db2.gz GFCDXYFUICDLRR-CVEARBPZSA-N 2 2 329.448 1.725 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000345672428 445195687 /nfs/dbraw/zinc/19/56/87/445195687.db2.gz FSQHNSNMTIFGQN-ZOBUZTSGSA-N 2 2 336.480 1.141 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000345672428 445195689 /nfs/dbraw/zinc/19/56/89/445195689.db2.gz FSQHNSNMTIFGQN-ZOBUZTSGSA-N 2 2 336.480 1.141 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)CCC[N@@H+]1C ZINC000343461323 445226996 /nfs/dbraw/zinc/22/69/96/445226996.db2.gz KUDNBIQYHGUPNI-AEFFLSMTSA-N 2 2 341.459 1.692 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)CCC[N@H+]1C ZINC000343461323 445226997 /nfs/dbraw/zinc/22/69/97/445226997.db2.gz KUDNBIQYHGUPNI-AEFFLSMTSA-N 2 2 341.459 1.692 20 0 EDADLP CC(C)[C@@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000343512451 445236691 /nfs/dbraw/zinc/23/66/91/445236691.db2.gz PBEQFZPENHKXNP-QZTJIDSGSA-N 2 2 342.491 1.756 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626323 445247059 /nfs/dbraw/zinc/24/70/59/445247059.db2.gz FOTNAAGMPZIFBE-DLBZAZTESA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626323 445247065 /nfs/dbraw/zinc/24/70/65/445247065.db2.gz FOTNAAGMPZIFBE-DLBZAZTESA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C1)CCCC2 ZINC000351626323 445247067 /nfs/dbraw/zinc/24/70/67/445247067.db2.gz FOTNAAGMPZIFBE-DLBZAZTESA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C1)CCCC2 ZINC000351626323 445247068 /nfs/dbraw/zinc/24/70/68/445247068.db2.gz FOTNAAGMPZIFBE-DLBZAZTESA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CCN(C[C@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626323 445247070 /nfs/dbraw/zinc/24/70/70/445247070.db2.gz FOTNAAGMPZIFBE-DLBZAZTESA-N 2 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CCN(C[C@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626323 445247072 /nfs/dbraw/zinc/24/70/72/445247072.db2.gz FOTNAAGMPZIFBE-DLBZAZTESA-N 2 2 332.492 1.772 20 0 EDADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000347994968 445260686 /nfs/dbraw/zinc/26/06/86/445260686.db2.gz GSFDQIUEUGPMQD-HYVNUMGLSA-N 2 2 332.448 1.157 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000343606089 445260811 /nfs/dbraw/zinc/26/08/11/445260811.db2.gz MKGSXDSBOQIWFI-ZACQAIPSSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000343606089 445260812 /nfs/dbraw/zinc/26/08/12/445260812.db2.gz MKGSXDSBOQIWFI-ZACQAIPSSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000343606089 445260814 /nfs/dbraw/zinc/26/08/14/445260814.db2.gz MKGSXDSBOQIWFI-ZACQAIPSSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000343606089 445260815 /nfs/dbraw/zinc/26/08/15/445260815.db2.gz MKGSXDSBOQIWFI-ZACQAIPSSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnn(CC(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000351700138 445278151 /nfs/dbraw/zinc/27/81/51/445278151.db2.gz JEQWBUPGNMZSHL-GDBMZVCRSA-N 2 2 341.450 1.606 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000351700138 445278154 /nfs/dbraw/zinc/27/81/54/445278154.db2.gz JEQWBUPGNMZSHL-GDBMZVCRSA-N 2 2 341.450 1.606 20 0 EDADLP CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)Cc2ccccc21 ZINC000351712364 445287224 /nfs/dbraw/zinc/28/72/24/445287224.db2.gz ONFZZYZALPHYIS-WMZOPIPTSA-N 2 2 332.444 1.604 20 0 EDADLP CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)Cc2ccccc21 ZINC000351712364 445287228 /nfs/dbraw/zinc/28/72/28/445287228.db2.gz ONFZZYZALPHYIS-WMZOPIPTSA-N 2 2 332.444 1.604 20 0 EDADLP CCOC(=O)[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)Cc2ccccc21 ZINC000351712364 445287231 /nfs/dbraw/zinc/28/72/31/445287231.db2.gz ONFZZYZALPHYIS-WMZOPIPTSA-N 2 2 332.444 1.604 20 0 EDADLP CCOC(=O)[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)Cc2ccccc21 ZINC000351712364 445287234 /nfs/dbraw/zinc/28/72/34/445287234.db2.gz ONFZZYZALPHYIS-WMZOPIPTSA-N 2 2 332.444 1.604 20 0 EDADLP COC(=O)C(C)(C)CCNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000354551215 445290940 /nfs/dbraw/zinc/29/09/40/445290940.db2.gz YJASMJSYFNUAGR-HNNXBMFYSA-N 2 2 334.464 2.223 20 0 EDADLP CC[NH+](CC)CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000348463164 445299435 /nfs/dbraw/zinc/29/94/35/445299435.db2.gz HTZHMHFYQIFKNI-UHFFFAOYSA-N 2 2 341.459 2.469 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000351850808 445342761 /nfs/dbraw/zinc/34/27/61/445342761.db2.gz JJMOYKAACLHIES-HKUYNNGSSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000351850808 445342765 /nfs/dbraw/zinc/34/27/65/445342765.db2.gz JJMOYKAACLHIES-HKUYNNGSSA-N 3 2 344.503 1.308 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000357073240 445408418 /nfs/dbraw/zinc/40/84/18/445408418.db2.gz DYWXTCVFLPSBNN-HUUCEWRRSA-N 2 2 338.455 1.594 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000357073240 445408421 /nfs/dbraw/zinc/40/84/21/445408421.db2.gz DYWXTCVFLPSBNN-HUUCEWRRSA-N 2 2 338.455 1.594 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1)C1CC1 ZINC000351974543 445410460 /nfs/dbraw/zinc/41/04/60/445410460.db2.gz IIIDUFIPNVIRPJ-OIISXLGYSA-N 2 2 336.501 1.942 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1)C1CC1 ZINC000351974543 445410462 /nfs/dbraw/zinc/41/04/62/445410462.db2.gz IIIDUFIPNVIRPJ-OIISXLGYSA-N 2 2 336.501 1.942 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1)C1CC1 ZINC000351974543 445410464 /nfs/dbraw/zinc/41/04/64/445410464.db2.gz IIIDUFIPNVIRPJ-OIISXLGYSA-N 2 2 336.501 1.942 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1)C1CC1 ZINC000351974543 445410468 /nfs/dbraw/zinc/41/04/68/445410468.db2.gz IIIDUFIPNVIRPJ-OIISXLGYSA-N 2 2 336.501 1.942 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078693 445412055 /nfs/dbraw/zinc/41/20/55/445412055.db2.gz RTWDLVANKJGRHY-HKUYNNGSSA-N 2 2 345.487 1.771 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078693 445412058 /nfs/dbraw/zinc/41/20/58/445412058.db2.gz RTWDLVANKJGRHY-HKUYNNGSSA-N 2 2 345.487 1.771 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000357093782 445424669 /nfs/dbraw/zinc/42/46/69/445424669.db2.gz YRPYMLJLOKDLGV-CABCVRRESA-N 2 2 330.432 1.493 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000357093782 445424673 /nfs/dbraw/zinc/42/46/73/445424673.db2.gz YRPYMLJLOKDLGV-CABCVRRESA-N 2 2 330.432 1.493 20 0 EDADLP CCn1nc(C)c(C[NH2+]C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)c1C ZINC000354862452 445429885 /nfs/dbraw/zinc/42/98/85/445429885.db2.gz RNRDVAYPRXVLQR-HZPDHXFCSA-N 2 2 348.470 1.956 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC12CCC2 ZINC000357021399 445379446 /nfs/dbraw/zinc/37/94/46/445379446.db2.gz HJCWEZPOYLNDLI-MRXNPFEDSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC12CCC2 ZINC000357021399 445379448 /nfs/dbraw/zinc/37/94/48/445379448.db2.gz HJCWEZPOYLNDLI-MRXNPFEDSA-N 2 2 337.508 1.726 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000357190122 445473826 /nfs/dbraw/zinc/47/38/26/445473826.db2.gz PBONIJBHIAZDPB-DLBZAZTESA-N 2 2 341.496 1.104 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000357190122 445473830 /nfs/dbraw/zinc/47/38/30/445473830.db2.gz PBONIJBHIAZDPB-DLBZAZTESA-N 2 2 341.496 1.104 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000357190122 445473832 /nfs/dbraw/zinc/47/38/32/445473832.db2.gz PBONIJBHIAZDPB-DLBZAZTESA-N 2 2 341.496 1.104 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000357190122 445473834 /nfs/dbraw/zinc/47/38/34/445473834.db2.gz PBONIJBHIAZDPB-DLBZAZTESA-N 2 2 341.496 1.104 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352051054 445460417 /nfs/dbraw/zinc/46/04/17/445460417.db2.gz YFDHDSOUVRWDQQ-UHFFFAOYSA-N 2 2 328.359 1.897 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352051054 445460419 /nfs/dbraw/zinc/46/04/19/445460419.db2.gz YFDHDSOUVRWDQQ-UHFFFAOYSA-N 2 2 328.359 1.897 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC1CCC2(CC1)OCCO2 ZINC000360018867 445531085 /nfs/dbraw/zinc/53/10/85/445531085.db2.gz IAHANZODONVEOS-UHFFFAOYSA-N 2 2 348.447 1.391 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000352488517 445532956 /nfs/dbraw/zinc/53/29/56/445532956.db2.gz QZDUZHMEZUJBQD-INIZCTEOSA-N 2 2 344.459 1.955 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000352488517 445532959 /nfs/dbraw/zinc/53/29/59/445532959.db2.gz QZDUZHMEZUJBQD-INIZCTEOSA-N 2 2 344.459 1.955 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)NC(=O)NCC(F)(F)F ZINC000359952106 445502504 /nfs/dbraw/zinc/50/25/04/445502504.db2.gz INSKXRINCHADFV-ZJUUUORDSA-N 2 2 347.341 1.127 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@@H]1CNc1cc[nH+]c(N(C)C)n1 ZINC000357461961 445560584 /nfs/dbraw/zinc/56/05/84/445560584.db2.gz STIVILSHCHUZGX-ZIAGYGMSSA-N 2 2 348.426 2.172 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@@H]1CNc1cc[nH+]c(N(C)C)n1 ZINC000357461961 445560590 /nfs/dbraw/zinc/56/05/90/445560590.db2.gz STIVILSHCHUZGX-ZIAGYGMSSA-N 2 2 348.426 2.172 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000360092746 445562140 /nfs/dbraw/zinc/56/21/40/445562140.db2.gz LPICTLFBHIOHPM-QGZVFWFLSA-N 2 2 335.423 1.191 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000360092746 445562143 /nfs/dbraw/zinc/56/21/43/445562143.db2.gz LPICTLFBHIOHPM-QGZVFWFLSA-N 2 2 335.423 1.191 20 0 EDADLP C[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000349325503 445564084 /nfs/dbraw/zinc/56/40/84/445564084.db2.gz ROBGWBQABSYJMY-AWEZNQCLSA-N 2 2 344.463 1.874 20 0 EDADLP Cn1c(CC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc2ccccc21 ZINC000362842610 445576214 /nfs/dbraw/zinc/57/62/14/445576214.db2.gz ZUQWTWSYLDYTOE-HNNXBMFYSA-N 2 2 341.459 1.012 20 0 EDADLP Cn1c(CC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc2ccccc21 ZINC000362842610 445576216 /nfs/dbraw/zinc/57/62/16/445576216.db2.gz ZUQWTWSYLDYTOE-HNNXBMFYSA-N 2 2 341.459 1.012 20 0 EDADLP COc1cccc(CCC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362841939 445576655 /nfs/dbraw/zinc/57/66/55/445576655.db2.gz XMIAYFRCDJJGAX-QGZVFWFLSA-N 2 2 331.460 1.524 20 0 EDADLP COc1cccc(CCC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362841939 445576658 /nfs/dbraw/zinc/57/66/58/445576658.db2.gz XMIAYFRCDJJGAX-QGZVFWFLSA-N 2 2 331.460 1.524 20 0 EDADLP CC[NH+]1CCC(N(C)C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000360118804 445577009 /nfs/dbraw/zinc/57/70/09/445577009.db2.gz KUQPCQGFYPQQQM-UHFFFAOYSA-N 2 2 345.491 1.146 20 0 EDADLP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357321160 445547489 /nfs/dbraw/zinc/54/74/89/445547489.db2.gz OYLYPTXFKONBAU-GOSISDBHSA-N 2 2 331.460 1.778 20 0 EDADLP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357321160 445547494 /nfs/dbraw/zinc/54/74/94/445547494.db2.gz OYLYPTXFKONBAU-GOSISDBHSA-N 2 2 331.460 1.778 20 0 EDADLP CCOC(=O)C1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000352686509 445547931 /nfs/dbraw/zinc/54/79/31/445547931.db2.gz NSZUAHFZRDEANT-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000352686509 445547936 /nfs/dbraw/zinc/54/79/36/445547936.db2.gz NSZUAHFZRDEANT-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP Cc1ccc(CCC[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c[nH+]1 ZINC000353453377 445608778 /nfs/dbraw/zinc/60/87/78/445608778.db2.gz ZQNKNKAKZDNBPZ-UHFFFAOYSA-N 2 2 339.443 1.639 20 0 EDADLP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000362941412 445619436 /nfs/dbraw/zinc/61/94/36/445619436.db2.gz JYGQXJCXQHWPJY-FUHWJXTLSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000362941412 445619439 /nfs/dbraw/zinc/61/94/39/445619439.db2.gz JYGQXJCXQHWPJY-FUHWJXTLSA-N 2 2 336.524 1.536 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353498618 445630488 /nfs/dbraw/zinc/63/04/88/445630488.db2.gz APNJOHHMVJVTMN-UKRRQHHQSA-N 2 2 333.432 1.779 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353498618 445630493 /nfs/dbraw/zinc/63/04/93/445630493.db2.gz APNJOHHMVJVTMN-UKRRQHHQSA-N 2 2 333.432 1.779 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356183369 445665939 /nfs/dbraw/zinc/66/59/39/445665939.db2.gz OTIMVQUSQLUBHE-OAHLLOKOSA-N 2 2 327.831 1.951 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356183369 445665943 /nfs/dbraw/zinc/66/59/43/445665943.db2.gz OTIMVQUSQLUBHE-OAHLLOKOSA-N 2 2 327.831 1.951 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(C(C)(C)C)on3)C2)CC1 ZINC000363053491 445661867 /nfs/dbraw/zinc/66/18/67/445661867.db2.gz LRKFJTMMRWRMSC-CYBMUJFWSA-N 2 2 334.464 1.870 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(C(C)(C)C)on3)C2)CC1 ZINC000363053491 445661871 /nfs/dbraw/zinc/66/18/71/445661871.db2.gz LRKFJTMMRWRMSC-CYBMUJFWSA-N 2 2 334.464 1.870 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000356246398 445697029 /nfs/dbraw/zinc/69/70/29/445697029.db2.gz LSNCEQBSHOBUQP-MRXNPFEDSA-N 2 2 348.472 1.798 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CC[C@H](CO)O3)sc2C1 ZINC000353705975 445717422 /nfs/dbraw/zinc/71/74/22/445717422.db2.gz OUIFNGYNDHRJSU-QWHCGFSZSA-N 2 2 325.478 1.539 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CC[C@H](CO)O3)sc2C1 ZINC000353705975 445717425 /nfs/dbraw/zinc/71/74/25/445717425.db2.gz OUIFNGYNDHRJSU-QWHCGFSZSA-N 2 2 325.478 1.539 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)c(C)c1 ZINC000625555161 450426110 /nfs/dbraw/zinc/42/61/10/450426110.db2.gz QJWYLOUEVGPAQO-LJQANCHMSA-N 2 2 348.487 1.840 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000356314136 445730030 /nfs/dbraw/zinc/73/00/30/445730030.db2.gz JEODEBIIQJRHBX-MRXNPFEDSA-N 2 2 346.431 1.293 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H](C)O1 ZINC000363266773 445747018 /nfs/dbraw/zinc/74/70/18/445747018.db2.gz WCJSVXTUKWZKLH-RBSFLKMASA-N 2 2 334.464 1.450 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc(N)c2ccccc2n1 ZINC000361084886 445748042 /nfs/dbraw/zinc/74/80/42/445748042.db2.gz BVTYCPVDMPHAKX-XOKHGSTOSA-N 2 2 341.459 1.896 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1nc(N)c2ccccc2n1 ZINC000361084886 445748044 /nfs/dbraw/zinc/74/80/44/445748044.db2.gz BVTYCPVDMPHAKX-XOKHGSTOSA-N 2 2 341.459 1.896 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000353798569 445761380 /nfs/dbraw/zinc/76/13/80/445761380.db2.gz NSFLBEJNFIRXMW-MRXNPFEDSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000361515196 445797434 /nfs/dbraw/zinc/79/74/34/445797434.db2.gz IRDUSJYGTLWJEE-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000361515196 445797439 /nfs/dbraw/zinc/79/74/39/445797439.db2.gz IRDUSJYGTLWJEE-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519449 445800170 /nfs/dbraw/zinc/80/01/70/445800170.db2.gz OGRQNPZATSORBH-AWEZNQCLSA-N 2 2 334.464 1.906 20 0 EDADLP [NH3+]C[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000358852298 445811184 /nfs/dbraw/zinc/81/11/84/445811184.db2.gz GHAKXGLDWAINDA-INIZCTEOSA-N 2 2 330.407 1.760 20 0 EDADLP CC[NH+](CC)CCNC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000363464819 445814811 /nfs/dbraw/zinc/81/48/11/445814811.db2.gz SNSSXNRHRSIIEK-UHFFFAOYSA-N 2 2 339.509 1.749 20 0 EDADLP CCC[NH+]1CCC(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000356616292 445887704 /nfs/dbraw/zinc/88/77/04/445887704.db2.gz AMYFDEZPIPUDQQ-MRXNPFEDSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[NH+]1CCC(CNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000356616292 445887707 /nfs/dbraw/zinc/88/77/07/445887707.db2.gz AMYFDEZPIPUDQQ-MRXNPFEDSA-N 2 2 333.480 1.972 20 0 EDADLP c1cc(NCc2ccc(N3CCCC3)[nH+]c2)nc(N2CCOCC2)[nH+]1 ZINC000354075320 445887978 /nfs/dbraw/zinc/88/79/78/445887978.db2.gz JYLAXUNSDSFQPH-UHFFFAOYSA-N 2 2 340.431 1.921 20 0 EDADLP CO[C@@H]1CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@H](C[NH3+])C1 ZINC000359041565 445903554 /nfs/dbraw/zinc/90/35/54/445903554.db2.gz KDDSSSWRIMHWGA-LSDHHAIUSA-N 2 2 334.420 1.163 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@H](C[NH3+])C1 ZINC000359041565 445903561 /nfs/dbraw/zinc/90/35/61/445903561.db2.gz KDDSSSWRIMHWGA-LSDHHAIUSA-N 2 2 334.420 1.163 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000372977749 445955318 /nfs/dbraw/zinc/95/53/18/445955318.db2.gz LKNFONOGGQRYRK-KBXCAEBGSA-N 2 2 329.448 1.996 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000372977749 445955323 /nfs/dbraw/zinc/95/53/23/445955323.db2.gz LKNFONOGGQRYRK-KBXCAEBGSA-N 2 2 329.448 1.996 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366009275 445960173 /nfs/dbraw/zinc/96/01/73/445960173.db2.gz RGUPHHIVAGUXIS-ZIAGYGMSSA-N 2 2 335.452 1.248 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366009275 445960178 /nfs/dbraw/zinc/96/01/78/445960178.db2.gz RGUPHHIVAGUXIS-ZIAGYGMSSA-N 2 2 335.452 1.248 20 0 EDADLP C[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373010108 445973315 /nfs/dbraw/zinc/97/33/15/445973315.db2.gz BGPQXXNLXIKBIA-FXAWDEMLSA-N 2 2 344.455 1.651 20 0 EDADLP C[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373010108 445973323 /nfs/dbraw/zinc/97/33/23/445973323.db2.gz BGPQXXNLXIKBIA-FXAWDEMLSA-N 2 2 344.455 1.651 20 0 EDADLP C[NH+](C[C@@H]1CC2(CC2)C(=O)O1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373010108 445973330 /nfs/dbraw/zinc/97/33/30/445973330.db2.gz BGPQXXNLXIKBIA-FXAWDEMLSA-N 2 2 344.455 1.651 20 0 EDADLP C[NH+](C[C@@H]1CC2(CC2)C(=O)O1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000373010108 445973333 /nfs/dbraw/zinc/97/33/33/445973333.db2.gz BGPQXXNLXIKBIA-FXAWDEMLSA-N 2 2 344.455 1.651 20 0 EDADLP COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000369276696 446042777 /nfs/dbraw/zinc/04/27/77/446042777.db2.gz IFESTRXFAQWEOT-INIZCTEOSA-N 2 2 331.460 1.902 20 0 EDADLP COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000369276696 446042782 /nfs/dbraw/zinc/04/27/82/446042782.db2.gz IFESTRXFAQWEOT-INIZCTEOSA-N 2 2 331.460 1.902 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859124 446012194 /nfs/dbraw/zinc/01/21/94/446012194.db2.gz AEGSYFMXIRVOEP-QGZVFWFLSA-N 2 2 348.472 1.694 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859124 446012196 /nfs/dbraw/zinc/01/21/96/446012196.db2.gz AEGSYFMXIRVOEP-QGZVFWFLSA-N 2 2 348.472 1.694 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)[C@@H](C[NH3+])C1 ZINC000584040753 326188232 /nfs/dbraw/zinc/18/82/32/326188232.db2.gz FOOGCOLQPSGIBD-AWEZNQCLSA-N 2 2 331.445 1.917 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)[C@@H](C[NH3+])C1 ZINC000584040753 326188235 /nfs/dbraw/zinc/18/82/35/326188235.db2.gz FOOGCOLQPSGIBD-AWEZNQCLSA-N 2 2 331.445 1.917 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000354267695 446063561 /nfs/dbraw/zinc/06/35/61/446063561.db2.gz VHTJDGNMKCZNFI-BZUAXINKSA-N 2 2 348.495 1.147 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000354267695 446063562 /nfs/dbraw/zinc/06/35/62/446063562.db2.gz VHTJDGNMKCZNFI-BZUAXINKSA-N 2 2 348.495 1.147 20 0 EDADLP CCc1nc(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000584227049 326223346 /nfs/dbraw/zinc/22/33/46/326223346.db2.gz CQEAVVRIVWXBRZ-YDHLFZDLSA-N 2 2 327.494 1.308 20 0 EDADLP COc1cc2c(cc1OC)CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000351440987 446065576 /nfs/dbraw/zinc/06/55/76/446065576.db2.gz JIAFRWZBUAIHBH-KRWDZBQOSA-N 2 2 334.460 1.560 20 0 EDADLP COc1cc2c(cc1OC)CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000351440987 446065583 /nfs/dbraw/zinc/06/55/83/446065583.db2.gz JIAFRWZBUAIHBH-KRWDZBQOSA-N 2 2 334.460 1.560 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCOc1ccccc1 ZINC000361924518 446073792 /nfs/dbraw/zinc/07/37/92/446073792.db2.gz FSBDFPNVLAIPNZ-QUCCMNQESA-N 2 2 347.503 1.792 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCOc1ccccc1 ZINC000361924518 446073796 /nfs/dbraw/zinc/07/37/96/446073796.db2.gz FSBDFPNVLAIPNZ-QUCCMNQESA-N 2 2 347.503 1.792 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCOc1ccccc1 ZINC000361924518 446073798 /nfs/dbraw/zinc/07/37/98/446073798.db2.gz FSBDFPNVLAIPNZ-QUCCMNQESA-N 2 2 347.503 1.792 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCOc1ccccc1 ZINC000361924518 446073802 /nfs/dbraw/zinc/07/38/02/446073802.db2.gz FSBDFPNVLAIPNZ-QUCCMNQESA-N 2 2 347.503 1.792 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000351483306 446083806 /nfs/dbraw/zinc/08/38/06/446083806.db2.gz NBQQMHFYEXWCFY-CYBMUJFWSA-N 2 2 333.432 1.295 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000351483306 446083809 /nfs/dbraw/zinc/08/38/09/446083809.db2.gz NBQQMHFYEXWCFY-CYBMUJFWSA-N 2 2 333.432 1.295 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000354347385 446131648 /nfs/dbraw/zinc/13/16/48/446131648.db2.gz KGJSVOORELJKDI-OALUTQOASA-N 2 2 349.519 1.822 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000354347385 446131656 /nfs/dbraw/zinc/13/16/56/446131656.db2.gz KGJSVOORELJKDI-OALUTQOASA-N 2 2 349.519 1.822 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH+]1CCCC1 ZINC000354295438 446090760 /nfs/dbraw/zinc/09/07/60/446090760.db2.gz ISDATHWIXQHQHE-INIZCTEOSA-N 2 2 349.479 1.037 20 0 EDADLP CCC(CC)[C@@H](O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369369245 446108959 /nfs/dbraw/zinc/10/89/59/446108959.db2.gz FQBXFXWCQCYBSW-RDJZCZTQSA-N 2 2 340.512 1.251 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1nc(N[C@H]3CCCOC3)cc[nH+]1)C2 ZINC000365261439 446108946 /nfs/dbraw/zinc/10/89/46/446108946.db2.gz KSJJGQUYIVJTNY-KBPBESRZSA-N 2 2 328.420 1.999 20 0 EDADLP CCC(CC)[C@@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369369245 446108970 /nfs/dbraw/zinc/10/89/70/446108970.db2.gz FQBXFXWCQCYBSW-RDJZCZTQSA-N 2 2 340.512 1.251 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000365261562 446109656 /nfs/dbraw/zinc/10/96/56/446109656.db2.gz XJJDGOVBHPFHOA-HUUCEWRRSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000365261562 446109659 /nfs/dbraw/zinc/10/96/59/446109659.db2.gz XJJDGOVBHPFHOA-HUUCEWRRSA-N 2 2 331.464 1.610 20 0 EDADLP CN(C[C@H]1CCCCO1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372507 446111071 /nfs/dbraw/zinc/11/10/71/446111071.db2.gz JNOUZVJMOXYWNU-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C[C@H]1CCCCO1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372507 446111076 /nfs/dbraw/zinc/11/10/76/446111076.db2.gz JNOUZVJMOXYWNU-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1(F)F ZINC000359359384 446172888 /nfs/dbraw/zinc/17/28/88/446172888.db2.gz PBAWBEJBFQJCBZ-WQKZHXONSA-N 2 2 327.419 1.657 20 0 EDADLP C[C@H]1[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1(F)F ZINC000359359384 446172889 /nfs/dbraw/zinc/17/28/89/446172889.db2.gz PBAWBEJBFQJCBZ-WQKZHXONSA-N 2 2 327.419 1.657 20 0 EDADLP Cc1ccc(F)cc1C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000359365174 446176115 /nfs/dbraw/zinc/17/61/15/446176115.db2.gz VLPPMQHNZNIJOF-UHFFFAOYSA-N 2 2 349.450 1.801 20 0 EDADLP Cc1ccc(F)cc1C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000359365174 446176120 /nfs/dbraw/zinc/17/61/20/446176120.db2.gz VLPPMQHNZNIJOF-UHFFFAOYSA-N 2 2 349.450 1.801 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CC12CC[NH2+]CC2 ZINC000370164957 446187128 /nfs/dbraw/zinc/18/71/28/446187128.db2.gz UHRUMLQJIPAYMS-PMPSAXMXSA-N 3 2 345.491 1.501 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000359386739 446191025 /nfs/dbraw/zinc/19/10/25/446191025.db2.gz LLSVMRCVNNEIGK-UKRRQHHQSA-N 2 2 341.477 1.095 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000359386739 446191028 /nfs/dbraw/zinc/19/10/28/446191028.db2.gz LLSVMRCVNNEIGK-UKRRQHHQSA-N 2 2 341.477 1.095 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)C1 ZINC000365530944 446243186 /nfs/dbraw/zinc/24/31/86/446243186.db2.gz BFTCFTYIASNTHB-IAGOWNOFSA-N 2 2 346.475 1.443 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)C1 ZINC000365530944 446243188 /nfs/dbraw/zinc/24/31/88/446243188.db2.gz BFTCFTYIASNTHB-IAGOWNOFSA-N 2 2 346.475 1.443 20 0 EDADLP C[C@@H]1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C[C@@H]1n1cc[nH+]c1 ZINC000370229576 446195282 /nfs/dbraw/zinc/19/52/82/446195282.db2.gz CGJDYMQDSKXHAT-PMPSAXMXSA-N 2 2 342.447 2.352 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)[C@@H](C)C1 ZINC000359408742 446207311 /nfs/dbraw/zinc/20/73/11/446207311.db2.gz CUWSPUDSCJQXRA-YOEHRIQHSA-N 2 2 337.489 1.656 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)[C@@H](C)C1 ZINC000359408742 446207314 /nfs/dbraw/zinc/20/73/14/446207314.db2.gz CUWSPUDSCJQXRA-YOEHRIQHSA-N 2 2 337.489 1.656 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000370280296 446211440 /nfs/dbraw/zinc/21/14/40/446211440.db2.gz FMRLYJSKMTTYEQ-OAGGEKHMSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000370280296 446211443 /nfs/dbraw/zinc/21/14/43/446211443.db2.gz FMRLYJSKMTTYEQ-OAGGEKHMSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000370280296 446211450 /nfs/dbraw/zinc/21/14/50/446211450.db2.gz FMRLYJSKMTTYEQ-OAGGEKHMSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000370280296 446211453 /nfs/dbraw/zinc/21/14/53/446211453.db2.gz FMRLYJSKMTTYEQ-OAGGEKHMSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000351625604 446218536 /nfs/dbraw/zinc/21/85/36/446218536.db2.gz APPZFEBFZOYESU-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366476308 446229912 /nfs/dbraw/zinc/22/99/12/446229912.db2.gz RJDVVCNYTAGOKS-QGZVFWFLSA-N 2 2 340.512 1.613 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366476308 446229916 /nfs/dbraw/zinc/22/99/16/446229916.db2.gz RJDVVCNYTAGOKS-QGZVFWFLSA-N 2 2 340.512 1.613 20 0 EDADLP CCc1noc(CC)c1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370329518 446232198 /nfs/dbraw/zinc/23/21/98/446232198.db2.gz FXDCOPZGYCPEBS-CQSZACIVSA-N 2 2 348.491 1.627 20 0 EDADLP CCc1noc(CC)c1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370329518 446232202 /nfs/dbraw/zinc/23/22/02/446232202.db2.gz FXDCOPZGYCPEBS-CQSZACIVSA-N 2 2 348.491 1.627 20 0 EDADLP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH+]c[nH]1 ZINC000373560180 446261218 /nfs/dbraw/zinc/26/12/18/446261218.db2.gz FCGVRWBZVRYRMS-IBGZPJMESA-N 2 2 342.443 1.438 20 0 EDADLP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH+]c[nH]1 ZINC000373560180 446261220 /nfs/dbraw/zinc/26/12/20/446261220.db2.gz FCGVRWBZVRYRMS-IBGZPJMESA-N 2 2 342.443 1.438 20 0 EDADLP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH]c[nH+]1 ZINC000373560180 446261223 /nfs/dbraw/zinc/26/12/23/446261223.db2.gz FCGVRWBZVRYRMS-IBGZPJMESA-N 2 2 342.443 1.438 20 0 EDADLP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1c[nH]c[nH+]1 ZINC000373560180 446261226 /nfs/dbraw/zinc/26/12/26/446261226.db2.gz FCGVRWBZVRYRMS-IBGZPJMESA-N 2 2 342.443 1.438 20 0 EDADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1nc(C2CC2)no1 ZINC000362249024 446285837 /nfs/dbraw/zinc/28/58/37/446285837.db2.gz GOUXUAWVLBYPTQ-UHFFFAOYSA-N 2 2 333.436 1.115 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362252426 446287434 /nfs/dbraw/zinc/28/74/34/446287434.db2.gz CBXLGFDBKWCDTC-CZUORRHYSA-N 2 2 340.431 1.549 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362252426 446287440 /nfs/dbraw/zinc/28/74/40/446287440.db2.gz CBXLGFDBKWCDTC-CZUORRHYSA-N 2 2 340.431 1.549 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)[C@H]1SC ZINC000362311847 446315391 /nfs/dbraw/zinc/31/53/91/446315391.db2.gz DWPOIDVZTHHZQL-IIAWOOMASA-N 2 2 329.510 1.038 20 0 EDADLP O=C1C[C@@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)[C@@H]2CCCCN12 ZINC000370542597 446325443 /nfs/dbraw/zinc/32/54/43/446325443.db2.gz SIRASEIZTIGYQZ-CABCVRRESA-N 2 2 349.398 1.776 20 0 EDADLP CN(C(=O)CC1(O)CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365750838 446328209 /nfs/dbraw/zinc/32/82/09/446328209.db2.gz HZXOOSCIGJJRFP-QGZVFWFLSA-N 2 2 337.508 1.699 20 0 EDADLP CN(C(=O)CC1(O)CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365750838 446328211 /nfs/dbraw/zinc/32/82/11/446328211.db2.gz HZXOOSCIGJJRFP-QGZVFWFLSA-N 2 2 337.508 1.699 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000370573793 446338097 /nfs/dbraw/zinc/33/80/97/446338097.db2.gz LAYBULSVRWFIPK-QGZVFWFLSA-N 2 2 349.475 1.831 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000370573793 446338103 /nfs/dbraw/zinc/33/81/03/446338103.db2.gz LAYBULSVRWFIPK-QGZVFWFLSA-N 2 2 349.475 1.831 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000417468891 446352974 /nfs/dbraw/zinc/35/29/74/446352974.db2.gz PIXCFLHJUVVHOP-WDEREUQCSA-N 2 2 333.358 1.714 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000410911462 446354364 /nfs/dbraw/zinc/35/43/64/446354364.db2.gz QZOGETWUSVRUCL-UHFFFAOYSA-N 2 2 349.479 1.306 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000410911462 446354366 /nfs/dbraw/zinc/35/43/66/446354366.db2.gz QZOGETWUSVRUCL-UHFFFAOYSA-N 2 2 349.479 1.306 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370650880 446374153 /nfs/dbraw/zinc/37/41/53/446374153.db2.gz GSGAMBAQWNAQOE-MWDXBVQZSA-N 2 2 325.497 1.722 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370650880 446374157 /nfs/dbraw/zinc/37/41/57/446374157.db2.gz GSGAMBAQWNAQOE-MWDXBVQZSA-N 2 2 325.497 1.722 20 0 EDADLP COc1ncc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C)n1 ZINC000366844666 446379535 /nfs/dbraw/zinc/37/95/35/446379535.db2.gz JRRBUWGKNGVFJG-KRWDZBQOSA-N 2 2 333.480 1.396 20 0 EDADLP COc1ncc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)n1 ZINC000366844666 446379536 /nfs/dbraw/zinc/37/95/36/446379536.db2.gz JRRBUWGKNGVFJG-KRWDZBQOSA-N 2 2 333.480 1.396 20 0 EDADLP [NH3+][C@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000417922343 446387076 /nfs/dbraw/zinc/38/70/76/446387076.db2.gz IROWUPANCJRHKV-JKSUJKDBSA-N 2 2 325.416 1.660 20 0 EDADLP CCn1c[nH+]cc1C[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC ZINC000417940073 446393358 /nfs/dbraw/zinc/39/33/58/446393358.db2.gz KZXREJHZHNVFJQ-KRWDZBQOSA-N 2 2 325.416 1.831 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000417944567 446394140 /nfs/dbraw/zinc/39/41/40/446394140.db2.gz CMOYQQDUYUHIHX-GLQYFDAESA-N 2 2 340.855 1.358 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000417944567 446394145 /nfs/dbraw/zinc/39/41/45/446394145.db2.gz CMOYQQDUYUHIHX-GLQYFDAESA-N 2 2 340.855 1.358 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc3c2OCO3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370710660 446397629 /nfs/dbraw/zinc/39/76/29/446397629.db2.gz UPDKIEVTANZGQU-DOTOQJQBSA-N 2 2 331.460 1.873 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370710660 446397633 /nfs/dbraw/zinc/39/76/33/446397633.db2.gz UPDKIEVTANZGQU-DOTOQJQBSA-N 2 2 331.460 1.873 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000370768963 446427041 /nfs/dbraw/zinc/42/70/41/446427041.db2.gz XTVCGBMPGMFBSW-QGZVFWFLSA-N 2 2 341.496 1.058 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000370768963 446427044 /nfs/dbraw/zinc/42/70/44/446427044.db2.gz XTVCGBMPGMFBSW-QGZVFWFLSA-N 2 2 341.496 1.058 20 0 EDADLP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)nn1 ZINC000423128109 446433622 /nfs/dbraw/zinc/43/36/22/446433622.db2.gz VCLKQSRIORHNBH-XJNFMUPTSA-N 2 2 337.468 1.265 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000411232087 446434452 /nfs/dbraw/zinc/43/44/52/446434452.db2.gz VEYMCWXLXUXYNE-UKRRQHHQSA-N 2 2 348.447 1.171 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411236451 446437159 /nfs/dbraw/zinc/43/71/59/446437159.db2.gz DGGJVAPLSQQNTC-OAHLLOKOSA-N 2 2 332.448 1.936 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411236451 446437165 /nfs/dbraw/zinc/43/71/65/446437165.db2.gz DGGJVAPLSQQNTC-OAHLLOKOSA-N 2 2 332.448 1.936 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000411263026 446453186 /nfs/dbraw/zinc/45/31/86/446453186.db2.gz DPMIQAAWIKQUPF-OAHLLOKOSA-N 2 2 332.448 1.888 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)CC1 ZINC000374809624 446402506 /nfs/dbraw/zinc/40/25/06/446402506.db2.gz COKMAOGBPKDZAT-SFHVURJKSA-N 2 2 337.414 1.860 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](F)(c3ccccc3F)C2)CC1 ZINC000374809624 446402509 /nfs/dbraw/zinc/40/25/09/446402509.db2.gz COKMAOGBPKDZAT-SFHVURJKSA-N 2 2 337.414 1.860 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000370735802 446409408 /nfs/dbraw/zinc/40/94/08/446409408.db2.gz ZSDGWQXWPRMIJI-QGZVFWFLSA-N 2 2 327.432 1.791 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000370735802 446409410 /nfs/dbraw/zinc/40/94/10/446409410.db2.gz ZSDGWQXWPRMIJI-QGZVFWFLSA-N 2 2 327.432 1.791 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)c(C)[nH+]1 ZINC000411159526 446413428 /nfs/dbraw/zinc/41/34/28/446413428.db2.gz YSKLPRUSPIJUBR-UHFFFAOYSA-N 2 2 332.448 1.746 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000411167344 446416135 /nfs/dbraw/zinc/41/61/35/446416135.db2.gz WVFUNNUEOSNQQT-UHFFFAOYSA-N 2 2 329.404 1.073 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000374911179 446452012 /nfs/dbraw/zinc/45/20/12/446452012.db2.gz IQOBERCSGYNXEX-GJZGRUSLSA-N 2 2 340.493 1.364 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000374911179 446452019 /nfs/dbraw/zinc/45/20/19/446452019.db2.gz IQOBERCSGYNXEX-GJZGRUSLSA-N 2 2 340.493 1.364 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCOCCC(C)C)CC2)C1 ZINC000370766795 446425470 /nfs/dbraw/zinc/42/54/70/446425470.db2.gz KTFZTBDADYWTHZ-GOSISDBHSA-N 2 2 327.513 1.387 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCOCCC(C)C)CC2)C1 ZINC000370766795 446425476 /nfs/dbraw/zinc/42/54/76/446425476.db2.gz KTFZTBDADYWTHZ-GOSISDBHSA-N 2 2 327.513 1.387 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000420295466 446458154 /nfs/dbraw/zinc/45/81/54/446458154.db2.gz AKWMRVVSOLILLQ-IBGZPJMESA-N 2 2 328.460 1.857 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000420298127 446459753 /nfs/dbraw/zinc/45/97/53/446459753.db2.gz GUOUOQKXFIBFHE-GZBFAFLISA-N 2 2 328.478 1.491 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000420298127 446459757 /nfs/dbraw/zinc/45/97/57/446459757.db2.gz GUOUOQKXFIBFHE-GZBFAFLISA-N 2 2 328.478 1.491 20 0 EDADLP COC(=O)c1cnc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)s1 ZINC000423235347 446460155 /nfs/dbraw/zinc/46/01/55/446460155.db2.gz QYFOZJCEGHRVNO-NSHDSACASA-N 2 2 347.444 1.907 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000420315703 446481277 /nfs/dbraw/zinc/48/12/77/446481277.db2.gz XGJJWSLWAZMQIB-BFHYXJOUSA-N 2 2 333.432 1.660 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000420315703 446481286 /nfs/dbraw/zinc/48/12/86/446481286.db2.gz XGJJWSLWAZMQIB-BFHYXJOUSA-N 2 2 333.432 1.660 20 0 EDADLP CN(C(=O)CCc1ccncc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831214 446465639 /nfs/dbraw/zinc/46/56/39/446465639.db2.gz SRTLGTMMLPMPRC-SFHVURJKSA-N 2 2 330.476 1.641 20 0 EDADLP CN(C(=O)CCc1ccncc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831214 446465641 /nfs/dbraw/zinc/46/56/41/446465641.db2.gz SRTLGTMMLPMPRC-SFHVURJKSA-N 2 2 330.476 1.641 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420312197 446475235 /nfs/dbraw/zinc/47/52/35/446475235.db2.gz RUADOLVQZMOKSC-DRZSPHRISA-N 2 2 337.445 1.532 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420312197 446475241 /nfs/dbraw/zinc/47/52/41/446475241.db2.gz RUADOLVQZMOKSC-DRZSPHRISA-N 2 2 337.445 1.532 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420312930 446478033 /nfs/dbraw/zinc/47/80/33/446478033.db2.gz JEYZNPCTFMYPKZ-LJQANCHMSA-N 2 2 326.444 1.564 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420312930 446478039 /nfs/dbraw/zinc/47/80/39/446478039.db2.gz JEYZNPCTFMYPKZ-LJQANCHMSA-N 2 2 326.444 1.564 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000420315350 446479498 /nfs/dbraw/zinc/47/94/98/446479498.db2.gz LXDGQIMFMMPGRM-ZWKOTPCHSA-N 3 2 332.492 1.609 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000420315350 446479504 /nfs/dbraw/zinc/47/95/04/446479504.db2.gz LXDGQIMFMMPGRM-ZWKOTPCHSA-N 3 2 332.492 1.609 20 0 EDADLP CC[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1c(F)cccc1F ZINC000420317659 446483037 /nfs/dbraw/zinc/48/30/37/446483037.db2.gz NPEURXIMQFOKNT-UHFFFAOYSA-N 2 2 326.391 1.130 20 0 EDADLP CC[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1c(F)cccc1F ZINC000420317659 446483045 /nfs/dbraw/zinc/48/30/45/446483045.db2.gz NPEURXIMQFOKNT-UHFFFAOYSA-N 2 2 326.391 1.130 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000420322495 446488224 /nfs/dbraw/zinc/48/82/24/446488224.db2.gz SNCLHJRNSSLKEW-GJZGRUSLSA-N 2 2 333.432 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000420322495 446488227 /nfs/dbraw/zinc/48/82/27/446488227.db2.gz SNCLHJRNSSLKEW-GJZGRUSLSA-N 2 2 333.432 1.252 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(c3nc(C)ns3)CC2)cc1 ZINC000420323177 446489421 /nfs/dbraw/zinc/48/94/21/446489421.db2.gz UARHIPSHTSNRHE-OAHLLOKOSA-N 2 2 347.488 1.720 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423362450 446502128 /nfs/dbraw/zinc/50/21/28/446502128.db2.gz HVSHOKBJBDRJJL-VBQJREDUSA-N 3 2 327.419 1.754 20 0 EDADLP COc1cc(NC(=O)C[N@H+](C)C2CC([NH3+])C2)c(OC)cc1Cl ZINC000420335877 446506339 /nfs/dbraw/zinc/50/63/39/446506339.db2.gz PTXOUGZDIHMDBU-UHFFFAOYSA-N 2 2 327.812 1.717 20 0 EDADLP COc1cc(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)c(OC)cc1Cl ZINC000420335877 446506341 /nfs/dbraw/zinc/50/63/41/446506341.db2.gz PTXOUGZDIHMDBU-UHFFFAOYSA-N 2 2 327.812 1.717 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000423376192 446508764 /nfs/dbraw/zinc/50/87/64/446508764.db2.gz KVKOGNVROWVECB-YDHLFZDLSA-N 2 2 325.478 1.742 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NCCC[NH3+] ZINC000418344188 446508742 /nfs/dbraw/zinc/50/87/42/446508742.db2.gz GCWLKESQQQFHQX-STQMWFEESA-N 2 2 328.457 1.651 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NCCC[NH3+] ZINC000418344188 446508749 /nfs/dbraw/zinc/50/87/49/446508749.db2.gz GCWLKESQQQFHQX-STQMWFEESA-N 2 2 328.457 1.651 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)c[nH+]2)C[C@@H](C)O1 ZINC000423342784 446496627 /nfs/dbraw/zinc/49/66/27/446496627.db2.gz VQXPTFUDPJUEHX-GGKPKWOWSA-N 2 2 330.432 1.063 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000418485353 446561918 /nfs/dbraw/zinc/56/19/18/446561918.db2.gz HATCBGCUEGYRLC-RVKKMQEKSA-N 2 2 346.475 1.711 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(OCc2nccn2C)cc1 ZINC000423528340 446562774 /nfs/dbraw/zinc/56/27/74/446562774.db2.gz UABSWDHWUQVALR-YOEHRIQHSA-N 2 2 330.432 1.638 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)cn21 ZINC000420389390 446564310 /nfs/dbraw/zinc/56/43/10/446564310.db2.gz YFKBBLBJFPXXST-INIZCTEOSA-N 2 2 325.420 1.530 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)cn21 ZINC000420389390 446564317 /nfs/dbraw/zinc/56/43/17/446564317.db2.gz YFKBBLBJFPXXST-INIZCTEOSA-N 2 2 325.420 1.530 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)[nH+]1 ZINC000411406207 446523542 /nfs/dbraw/zinc/52/35/42/446523542.db2.gz IOQPNWWTWIRGFM-ZFWWWQNUSA-N 2 2 330.432 1.640 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)[nH+]1 ZINC000411406207 446523546 /nfs/dbraw/zinc/52/35/46/446523546.db2.gz IOQPNWWTWIRGFM-ZFWWWQNUSA-N 2 2 330.432 1.640 20 0 EDADLP COC[C@]1(C[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)CCC[NH2+]1 ZINC000423416059 446525268 /nfs/dbraw/zinc/52/52/68/446525268.db2.gz PYQUQLCOOFXTLR-MISYRCLQSA-N 2 2 347.503 1.807 20 0 EDADLP COC[C@]1(CN[C@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000423416059 446525279 /nfs/dbraw/zinc/52/52/79/446525279.db2.gz PYQUQLCOOFXTLR-MISYRCLQSA-N 2 2 347.503 1.807 20 0 EDADLP O=C1[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000420351854 446529682 /nfs/dbraw/zinc/52/96/82/446529682.db2.gz XWIDVDNKWZIGGP-PBHICJAKSA-N 2 2 348.878 1.425 20 0 EDADLP O=C1[C@@H]([N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000420351854 446529687 /nfs/dbraw/zinc/52/96/87/446529687.db2.gz XWIDVDNKWZIGGP-PBHICJAKSA-N 2 2 348.878 1.425 20 0 EDADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350886 446529888 /nfs/dbraw/zinc/52/98/88/446529888.db2.gz VCSFJKMQMDRFEX-GOEBONIOSA-N 2 2 344.459 1.196 20 0 EDADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350886 446529896 /nfs/dbraw/zinc/52/98/96/446529896.db2.gz VCSFJKMQMDRFEX-GOEBONIOSA-N 2 2 344.459 1.196 20 0 EDADLP C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@H](O)C[NH3+] ZINC000420353472 446533517 /nfs/dbraw/zinc/53/35/17/446533517.db2.gz NIWWOXCREQJPON-PBHICJAKSA-N 2 2 333.457 1.205 20 0 EDADLP C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@H](O)C[NH3+] ZINC000420353472 446533521 /nfs/dbraw/zinc/53/35/21/446533521.db2.gz NIWWOXCREQJPON-PBHICJAKSA-N 2 2 333.457 1.205 20 0 EDADLP CCOC(=O)CN(C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000420355455 446536267 /nfs/dbraw/zinc/53/62/67/446536267.db2.gz FFZJQZIHOQWEIZ-HNNXBMFYSA-N 2 2 335.448 1.546 20 0 EDADLP C[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)cc1Cl ZINC000420357789 446538291 /nfs/dbraw/zinc/53/82/91/446538291.db2.gz SXNMDYQRWDIHER-ONGXEEELSA-N 2 2 334.247 1.422 20 0 EDADLP C[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)cc1Cl ZINC000420357789 446538295 /nfs/dbraw/zinc/53/82/95/446538295.db2.gz SXNMDYQRWDIHER-ONGXEEELSA-N 2 2 334.247 1.422 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000411432181 446539665 /nfs/dbraw/zinc/53/96/65/446539665.db2.gz YMOLYYMIWNBMDQ-UHFFFAOYSA-N 2 2 330.388 1.963 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000411432181 446539672 /nfs/dbraw/zinc/53/96/72/446539672.db2.gz YMOLYYMIWNBMDQ-UHFFFAOYSA-N 2 2 330.388 1.963 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420362244 446540657 /nfs/dbraw/zinc/54/06/57/446540657.db2.gz IPBUQDLTHPHAIG-XJKCOSOUSA-N 2 2 325.478 1.413 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420363296 446542691 /nfs/dbraw/zinc/54/26/91/446542691.db2.gz JIUDRAQVBSWHII-NEULZYRMSA-N 2 2 332.448 1.948 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423468130 446548604 /nfs/dbraw/zinc/54/86/04/446548604.db2.gz JKUJHTLCKJXYSM-KKUMJFAQSA-N 2 2 347.463 1.152 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372414 446551266 /nfs/dbraw/zinc/55/12/66/446551266.db2.gz MGHVVIUTISTVMQ-FQEVSTJZSA-N 2 2 345.487 1.915 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372414 446551269 /nfs/dbraw/zinc/55/12/69/446551269.db2.gz MGHVVIUTISTVMQ-FQEVSTJZSA-N 2 2 345.487 1.915 20 0 EDADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000453251009 446552233 /nfs/dbraw/zinc/55/22/33/446552233.db2.gz AOPGBJUGQLRUIJ-OXJNMPFZSA-N 2 2 347.503 1.863 20 0 EDADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000453251009 446552239 /nfs/dbraw/zinc/55/22/39/446552239.db2.gz AOPGBJUGQLRUIJ-OXJNMPFZSA-N 2 2 347.503 1.863 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000418500438 446568018 /nfs/dbraw/zinc/56/80/18/446568018.db2.gz PONUTZPSPQAFDE-QGZVFWFLSA-N 2 2 332.448 1.130 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420379598 446555564 /nfs/dbraw/zinc/55/55/64/446555564.db2.gz XRONQGLLEXSQSS-OALUTQOASA-N 3 2 346.519 1.903 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423501792 446556630 /nfs/dbraw/zinc/55/66/30/446556630.db2.gz DSFUBMOAOBOCJJ-DYVFJYSZSA-N 2 2 331.464 1.525 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000371072997 446611911 /nfs/dbraw/zinc/61/19/11/446611911.db2.gz KATBMXQOXCRMKB-GJZGRUSLSA-N 2 2 349.479 1.064 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000371072997 446611915 /nfs/dbraw/zinc/61/19/15/446611915.db2.gz KATBMXQOXCRMKB-GJZGRUSLSA-N 2 2 349.479 1.064 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000420394250 446569197 /nfs/dbraw/zinc/56/91/97/446569197.db2.gz ZJYGTWRMROZKSN-QGZVFWFLSA-N 2 2 349.475 1.909 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000420394250 446569198 /nfs/dbraw/zinc/56/91/98/446569198.db2.gz ZJYGTWRMROZKSN-QGZVFWFLSA-N 2 2 349.475 1.909 20 0 EDADLP CCc1ccc([C@H](COC)[NH2+]CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000411512291 446578938 /nfs/dbraw/zinc/57/89/38/446578938.db2.gz LIMDLOAKTBFMTP-INIZCTEOSA-N 2 2 337.464 1.720 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420408260 446581937 /nfs/dbraw/zinc/58/19/37/446581937.db2.gz VZMWXKNJIRGOQJ-IEBWSBKVSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420408260 446581941 /nfs/dbraw/zinc/58/19/41/446581941.db2.gz VZMWXKNJIRGOQJ-IEBWSBKVSA-N 2 2 345.487 1.954 20 0 EDADLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)C1 ZINC000367740841 446583573 /nfs/dbraw/zinc/58/35/73/446583573.db2.gz QNNUEPOGKBGDHU-RDJZCZTQSA-N 2 2 334.485 1.567 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000423600034 446596068 /nfs/dbraw/zinc/59/60/68/446596068.db2.gz AEEKCYJWCKXNAJ-CEXWTWQISA-N 2 2 345.487 1.688 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000423600034 446596073 /nfs/dbraw/zinc/59/60/73/446596073.db2.gz AEEKCYJWCKXNAJ-CEXWTWQISA-N 2 2 345.487 1.688 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)[nH+]1 ZINC000411562830 446602124 /nfs/dbraw/zinc/60/21/24/446602124.db2.gz PPDHMMPYPXEEHR-LJQANCHMSA-N 2 2 344.459 1.890 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)[nH+]1 ZINC000411562830 446602129 /nfs/dbraw/zinc/60/21/29/446602129.db2.gz PPDHMMPYPXEEHR-LJQANCHMSA-N 2 2 344.459 1.890 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423611373 446604073 /nfs/dbraw/zinc/60/40/73/446604073.db2.gz OAOYSUUPWXTNSD-KSZLIROESA-N 2 2 331.460 1.441 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423611373 446604076 /nfs/dbraw/zinc/60/40/76/446604076.db2.gz OAOYSUUPWXTNSD-KSZLIROESA-N 2 2 331.460 1.441 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000423690098 446641378 /nfs/dbraw/zinc/64/13/78/446641378.db2.gz NUTXAKJRZYUXOV-SFHVURJKSA-N 2 2 330.407 1.634 20 0 EDADLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@@H+]2C)cn1 ZINC000368101675 446641608 /nfs/dbraw/zinc/64/16/08/446641608.db2.gz UVENSPCLAVEYNN-GUYCJALGSA-N 2 2 339.447 1.816 20 0 EDADLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@H+]2C)cn1 ZINC000368101675 446641616 /nfs/dbraw/zinc/64/16/16/446641616.db2.gz UVENSPCLAVEYNN-GUYCJALGSA-N 2 2 339.447 1.816 20 0 EDADLP CCO[C@@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000376677170 446644350 /nfs/dbraw/zinc/64/43/50/446644350.db2.gz BQDWCRAMARYBGR-GJZGRUSLSA-N 2 2 334.464 1.799 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)[C@H](C)[NH3+] ZINC000418689472 446648498 /nfs/dbraw/zinc/64/84/98/446648498.db2.gz BYXBKEOOGVQMKQ-RRFJBIMHSA-N 2 2 347.463 1.580 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000371140354 446650589 /nfs/dbraw/zinc/65/05/89/446650589.db2.gz WYAVBRDKHMSIET-FXAWDEMLSA-N 2 2 345.487 1.305 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423711745 446653968 /nfs/dbraw/zinc/65/39/68/446653968.db2.gz CIRKAKOMXWSVSL-NUJGCVRESA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423711745 446653973 /nfs/dbraw/zinc/65/39/73/446653973.db2.gz CIRKAKOMXWSVSL-NUJGCVRESA-N 2 2 335.492 1.478 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000368135835 446662161 /nfs/dbraw/zinc/66/21/61/446662161.db2.gz RVKBNZBPSVSKCQ-MRXNPFEDSA-N 2 2 342.443 1.877 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000368135835 446662165 /nfs/dbraw/zinc/66/21/65/446662165.db2.gz RVKBNZBPSVSKCQ-MRXNPFEDSA-N 2 2 342.443 1.877 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000423741105 446672729 /nfs/dbraw/zinc/67/27/29/446672729.db2.gz JPZJTIJWCAQXGR-MAUKXSAKSA-N 2 2 349.450 1.800 20 0 EDADLP C[C@@H](O)CNc1[nH+]c2ccccc2n1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418767662 446687412 /nfs/dbraw/zinc/68/74/12/446687412.db2.gz SLLLQFGFBWZODB-KFWWJZLASA-N 2 2 330.432 1.692 20 0 EDADLP C[C@@H](O)CNc1[nH+]c2ccccc2n1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418767662 446687415 /nfs/dbraw/zinc/68/74/15/446687415.db2.gz SLLLQFGFBWZODB-KFWWJZLASA-N 2 2 330.432 1.692 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000418782972 446699993 /nfs/dbraw/zinc/69/99/93/446699993.db2.gz FPJVDAAXLPRQQV-DLBZAZTESA-N 2 2 346.475 1.520 20 0 EDADLP CN1C[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)Cc2ccccc21 ZINC000368197214 446701301 /nfs/dbraw/zinc/70/13/01/446701301.db2.gz BSOIYMVNTQCFFT-QGZVFWFLSA-N 2 2 344.503 1.437 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(C)nc(N(C)C)n3)CC2)CC1 ZINC000420627950 446709550 /nfs/dbraw/zinc/70/95/50/446709550.db2.gz OFQDCQIJQLAFFU-UHFFFAOYSA-N 2 2 347.511 1.242 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3nc(C)nc(N(C)C)n3)CC2)CC1 ZINC000420627950 446709556 /nfs/dbraw/zinc/70/95/56/446709556.db2.gz OFQDCQIJQLAFFU-UHFFFAOYSA-N 2 2 347.511 1.242 20 0 EDADLP [NH3+][C@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000371282027 446739372 /nfs/dbraw/zinc/73/93/72/446739372.db2.gz XQPBDCVJUFCUDK-MJGOQNOKSA-N 2 2 347.459 1.074 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423826156 446715431 /nfs/dbraw/zinc/71/54/31/446715431.db2.gz MGXBXICHAMXZIT-CZUORRHYSA-N 2 2 329.366 1.965 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423826156 446715434 /nfs/dbraw/zinc/71/54/34/446715434.db2.gz MGXBXICHAMXZIT-CZUORRHYSA-N 2 2 329.366 1.965 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423837753 446727189 /nfs/dbraw/zinc/72/71/89/446727189.db2.gz XCBJMUWPFPCTQX-YDHLFZDLSA-N 2 2 345.365 1.329 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])OC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423837753 446727194 /nfs/dbraw/zinc/72/71/94/446727194.db2.gz XCBJMUWPFPCTQX-YDHLFZDLSA-N 2 2 345.365 1.329 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCc1ccc(F)cc1 ZINC000371289248 446746283 /nfs/dbraw/zinc/74/62/83/446746283.db2.gz JFLQCOJFZLMJOB-FGTMMUONSA-N 2 2 349.450 1.625 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCc1ccc(F)cc1 ZINC000371289248 446746289 /nfs/dbraw/zinc/74/62/89/446746289.db2.gz JFLQCOJFZLMJOB-FGTMMUONSA-N 2 2 349.450 1.625 20 0 EDADLP CCC[NH+]1CCC(N2CCN(C(=O)NCc3c[nH+]cn3C)CC2)CC1 ZINC000368267433 446747977 /nfs/dbraw/zinc/74/79/77/446747977.db2.gz OYVDOOPPUXOCJA-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000376840678 446748349 /nfs/dbraw/zinc/74/83/49/446748349.db2.gz DYINRTJKHZCAQA-ZDUSSCGKSA-N 2 2 328.420 1.150 20 0 EDADLP CCc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1O ZINC000368268621 446750043 /nfs/dbraw/zinc/75/00/43/446750043.db2.gz YNDXRGZBXCSYNK-INIZCTEOSA-N 2 2 331.460 1.853 20 0 EDADLP CCc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1O ZINC000368268621 446750047 /nfs/dbraw/zinc/75/00/47/446750047.db2.gz YNDXRGZBXCSYNK-INIZCTEOSA-N 2 2 331.460 1.853 20 0 EDADLP COc1cccc(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371300167 446756074 /nfs/dbraw/zinc/75/60/74/446756074.db2.gz NKWLMXGLZCZRKR-KBAYOESNSA-N 2 2 347.459 1.817 20 0 EDADLP COc1cccc(NC(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371300167 446756079 /nfs/dbraw/zinc/75/60/79/446756079.db2.gz NKWLMXGLZCZRKR-KBAYOESNSA-N 2 2 347.459 1.817 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000423907855 446758205 /nfs/dbraw/zinc/75/82/05/446758205.db2.gz BUGOGCMNYKHMRM-JYJNAYRXSA-N 2 2 339.459 1.308 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000423907855 446758211 /nfs/dbraw/zinc/75/82/11/446758211.db2.gz BUGOGCMNYKHMRM-JYJNAYRXSA-N 2 2 339.459 1.308 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000375383823 446761968 /nfs/dbraw/zinc/76/19/68/446761968.db2.gz GKMNUCZGTJPJCZ-OAHLLOKOSA-N 2 2 333.480 1.450 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000423911199 446762219 /nfs/dbraw/zinc/76/22/19/446762219.db2.gz GSBLZYQSWNIBPX-KCQAQPDRSA-N 2 2 341.452 1.107 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000423911199 446762223 /nfs/dbraw/zinc/76/22/23/446762223.db2.gz GSBLZYQSWNIBPX-KCQAQPDRSA-N 2 2 341.452 1.107 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000423918416 446767416 /nfs/dbraw/zinc/76/74/16/446767416.db2.gz PIYAEDYSTPLYFH-JYJNAYRXSA-N 2 2 339.459 1.022 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000423918416 446767419 /nfs/dbraw/zinc/76/74/19/446767419.db2.gz PIYAEDYSTPLYFH-JYJNAYRXSA-N 2 2 339.459 1.022 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000423921926 446771911 /nfs/dbraw/zinc/77/19/11/446771911.db2.gz VAOJOCFCJWHSQB-DZKIICNBSA-N 2 2 340.443 1.693 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000423921926 446771920 /nfs/dbraw/zinc/77/19/20/446771920.db2.gz VAOJOCFCJWHSQB-DZKIICNBSA-N 2 2 340.443 1.693 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423925525 446775334 /nfs/dbraw/zinc/77/53/34/446775334.db2.gz FVSHPLGGVDUOID-RBSFLKMASA-N 2 2 332.448 1.515 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000423924700 446775491 /nfs/dbraw/zinc/77/54/91/446775491.db2.gz ZCWSVUSEYOQGOS-WBMJQRKESA-N 2 2 337.851 1.191 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000423924700 446775494 /nfs/dbraw/zinc/77/54/94/446775494.db2.gz ZCWSVUSEYOQGOS-WBMJQRKESA-N 2 2 337.851 1.191 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000371377803 446817257 /nfs/dbraw/zinc/81/72/57/446817257.db2.gz FJGSJWXCANIWGO-GOSISDBHSA-N 2 2 343.475 1.401 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000371377803 446817266 /nfs/dbraw/zinc/81/72/66/446817266.db2.gz FJGSJWXCANIWGO-GOSISDBHSA-N 2 2 343.475 1.401 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cccc(F)c1 ZINC000623179571 450436363 /nfs/dbraw/zinc/43/63/63/450436363.db2.gz TYDYLOUTCRPKTH-VNQPRFMTSA-N 2 2 328.391 1.538 20 0 EDADLP Cc1nc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)nc(N(C)C)[nH+]1 ZINC000439099266 446807621 /nfs/dbraw/zinc/80/76/21/446807621.db2.gz NKOMGMFMQBPPKY-ZDUSSCGKSA-N 2 2 341.463 2.279 20 0 EDADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377016754 446863559 /nfs/dbraw/zinc/86/35/59/446863559.db2.gz YBTQHLCYLZWTHD-CQSZACIVSA-N 2 2 334.468 1.503 20 0 EDADLP COCC[NH+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420896472 446875507 /nfs/dbraw/zinc/87/55/07/446875507.db2.gz ASQVPVLDEHXTSM-UHFFFAOYSA-N 2 2 333.476 1.283 20 0 EDADLP C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377058582 446891967 /nfs/dbraw/zinc/89/19/67/446891967.db2.gz XHCMCRQBNPSGIW-DLBZAZTESA-N 2 2 344.507 1.539 20 0 EDADLP CS[C@@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1[NH+](C)C ZINC000420935953 446908450 /nfs/dbraw/zinc/90/84/50/446908450.db2.gz KEHNZPYSZMLPAG-RTBURBONSA-N 2 2 349.544 1.996 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000454563946 446911621 /nfs/dbraw/zinc/91/16/21/446911621.db2.gz XUBOIMKTAOVDIW-CQSZACIVSA-N 2 2 337.468 1.481 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000454563946 446911625 /nfs/dbraw/zinc/91/16/25/446911625.db2.gz XUBOIMKTAOVDIW-CQSZACIVSA-N 2 2 337.468 1.481 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000377096142 446917203 /nfs/dbraw/zinc/91/72/03/446917203.db2.gz XVVYEEPOQLIUSB-HNNXBMFYSA-N 2 2 328.416 1.709 20 0 EDADLP CCOCCCNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000371543238 446924369 /nfs/dbraw/zinc/92/43/69/446924369.db2.gz KAAOABOVELCROX-KRWDZBQOSA-N 2 2 334.464 1.428 20 0 EDADLP CCOCCCNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000371543238 446924374 /nfs/dbraw/zinc/92/43/74/446924374.db2.gz KAAOABOVELCROX-KRWDZBQOSA-N 2 2 334.464 1.428 20 0 EDADLP OC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCOC1 ZINC000420957986 446927890 /nfs/dbraw/zinc/92/78/90/446927890.db2.gz CGWSQZGRSNPMSJ-RTBURBONSA-N 2 2 334.460 1.396 20 0 EDADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C2CC2)O1 ZINC000375676939 446970407 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ZINC000413153791 447037952 /nfs/dbraw/zinc/03/79/52/447037952.db2.gz MASCCYFMQZXKTN-OWCLPIDISA-N 2 2 349.479 1.064 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000375795564 447055629 /nfs/dbraw/zinc/05/56/29/447055629.db2.gz MZDPFOTVQLEALK-GOSISDBHSA-N 2 2 341.459 1.637 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000375795564 447055633 /nfs/dbraw/zinc/05/56/33/447055633.db2.gz MZDPFOTVQLEALK-GOSISDBHSA-N 2 2 341.459 1.637 20 0 EDADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000375807848 447066880 /nfs/dbraw/zinc/06/68/80/447066880.db2.gz CZXUTVQBHCOGGO-HNNXBMFYSA-N 2 2 325.478 1.949 20 0 EDADLP CCCS(=O)(=O)CC[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000375807848 447066884 /nfs/dbraw/zinc/06/68/84/447066884.db2.gz CZXUTVQBHCOGGO-HNNXBMFYSA-N 2 2 325.478 1.949 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@@H]1C ZINC000377325777 447067134 /nfs/dbraw/zinc/06/71/34/447067134.db2.gz WKCLYKZJKJCNCH-AWEZNQCLSA-N 2 2 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447120760 /nfs/dbraw/zinc/12/07/60/447120760.db2.gz YKCLCSYIQFVDKP-UHFFFAOYSA-N 2 2 348.539 1.477 20 0 EDADLP CC1=CC[N@H+](CCNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000413226350 447080352 /nfs/dbraw/zinc/08/03/52/447080352.db2.gz HFWSYXQVCRKTHA-JKSUJKDBSA-N 2 2 331.464 1.748 20 0 EDADLP CC1=CC[N@@H+](CCNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000413226350 447080359 /nfs/dbraw/zinc/08/03/59/447080359.db2.gz HFWSYXQVCRKTHA-JKSUJKDBSA-N 2 2 331.464 1.748 20 0 EDADLP CN1CCC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1=O ZINC000372496819 447090877 /nfs/dbraw/zinc/09/08/77/447090877.db2.gz QTCRWSFTNTVDMA-GOSISDBHSA-N 2 2 325.416 1.712 20 0 EDADLP CN1CCC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1=O ZINC000372496819 447090881 /nfs/dbraw/zinc/09/08/81/447090881.db2.gz QTCRWSFTNTVDMA-GOSISDBHSA-N 2 2 325.416 1.712 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000377372344 447095816 /nfs/dbraw/zinc/09/58/16/447095816.db2.gz HTIWWPXTOZSZSZ-SJORKVTESA-N 2 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C[C@H](O)[C@@H]1CCN(c2cc(NCCCC[N@H+](C)C3CC3)[nH+]cn2)C1 ZINC000413350555 447156574 /nfs/dbraw/zinc/15/65/74/447156574.db2.gz WWRUGZOPIRVPQS-LSDHHAIUSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCCCC[N@@H+](C)C3CC3)[nH+]cn2)C1 ZINC000413350555 447156582 /nfs/dbraw/zinc/15/65/82/447156582.db2.gz WWRUGZOPIRVPQS-LSDHHAIUSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCCCC[N@H+](C)C3CC3)nc[nH+]2)C1 ZINC000413350555 447156593 /nfs/dbraw/zinc/15/65/93/447156593.db2.gz WWRUGZOPIRVPQS-LSDHHAIUSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCCCC[N@@H+](C)C3CC3)nc[nH+]2)C1 ZINC000413350555 447156602 /nfs/dbraw/zinc/15/66/02/447156602.db2.gz WWRUGZOPIRVPQS-LSDHHAIUSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000368813774 447126965 /nfs/dbraw/zinc/12/69/65/447126965.db2.gz KLXGEMSCFQGVPD-UHFFFAOYSA-N 2 2 331.464 1.032 20 0 EDADLP CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000368813774 447126971 /nfs/dbraw/zinc/12/69/71/447126971.db2.gz KLXGEMSCFQGVPD-UHFFFAOYSA-N 2 2 331.464 1.032 20 0 EDADLP c1cn([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)nn1 ZINC000425504285 447199949 /nfs/dbraw/zinc/19/99/49/447199949.db2.gz KPZZYPRGZGUBBU-IBGZPJMESA-N 2 2 341.459 1.947 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)C[N@@H+]1C1CC1 ZINC000372781294 447283429 /nfs/dbraw/zinc/28/34/29/447283429.db2.gz MXTTZEIWDAQNAB-GJEMEMOUSA-N 2 2 341.521 1.548 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)C[N@H+]1C1CC1 ZINC000372781294 447283433 /nfs/dbraw/zinc/28/34/33/447283433.db2.gz MXTTZEIWDAQNAB-GJEMEMOUSA-N 2 2 341.521 1.548 20 0 EDADLP O=C(NC1CC[NH+](Cc2cscn2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000369051117 447290309 /nfs/dbraw/zinc/29/03/09/447290309.db2.gz QQIJGBXPZZWRFM-UHFFFAOYSA-N 2 2 349.504 1.597 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cn1C ZINC000377652479 447273425 /nfs/dbraw/zinc/27/34/25/447273425.db2.gz KXPGFLAIFOVACK-RDJZCZTQSA-N 2 2 348.491 1.270 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cn1C ZINC000377652479 447273430 /nfs/dbraw/zinc/27/34/30/447273430.db2.gz KXPGFLAIFOVACK-RDJZCZTQSA-N 2 2 348.491 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)OC2CCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377654692 447275255 /nfs/dbraw/zinc/27/52/55/447275255.db2.gz RQMQUDHTMYJFAU-CQSZACIVSA-N 2 2 325.453 1.402 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc(C)[nH+]1 ZINC000422359386 447501477 /nfs/dbraw/zinc/50/14/77/447501477.db2.gz DEHDMWXMUOSNIB-QGZVFWFLSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc(C)[nH+]1 ZINC000422359386 447501481 /nfs/dbraw/zinc/50/14/81/447501481.db2.gz DEHDMWXMUOSNIB-QGZVFWFLSA-N 2 2 346.475 1.551 20 0 EDADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000394529433 447537671 /nfs/dbraw/zinc/53/76/71/447537671.db2.gz PKNIBONLVARTSB-NWDGAFQWSA-N 2 2 325.457 1.877 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000400156697 447567408 /nfs/dbraw/zinc/56/74/08/447567408.db2.gz FWZYCNXEXGSZDY-HYVNUMGLSA-N 2 2 337.489 1.273 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[N@H+]1Cc1ccccc1 ZINC000400156697 447567414 /nfs/dbraw/zinc/56/74/14/447567414.db2.gz FWZYCNXEXGSZDY-HYVNUMGLSA-N 2 2 337.489 1.273 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]c(C)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000459084882 447567823 /nfs/dbraw/zinc/56/78/23/447567823.db2.gz UUPDODQLEQVCAD-WBVHZDCISA-N 2 2 334.464 1.685 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]c(C)cc2C)CC[N@H+]1C[C@@H](C)O ZINC000459084882 447567829 /nfs/dbraw/zinc/56/78/29/447567829.db2.gz UUPDODQLEQVCAD-WBVHZDCISA-N 2 2 334.464 1.685 20 0 EDADLP COC(=O)c1ccc(N2CC[N@H+](CCc3c[nH+]cn3C)[C@@H](C)C2)cc1 ZINC000459333246 447637290 /nfs/dbraw/zinc/63/72/90/447637290.db2.gz ZJZNWJQGDWHUJB-HNNXBMFYSA-N 2 2 342.443 1.960 20 0 EDADLP COC(=O)c1ccc(N2CC[N@@H+](CCc3c[nH+]cn3C)[C@@H](C)C2)cc1 ZINC000459333246 447637293 /nfs/dbraw/zinc/63/72/93/447637293.db2.gz ZJZNWJQGDWHUJB-HNNXBMFYSA-N 2 2 342.443 1.960 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCC[C@@H](C(=O)NCC[NH3+])C3)nc[nH+]2)C1 ZINC000420166326 447649971 /nfs/dbraw/zinc/64/99/71/447649971.db2.gz ODSXHGYHNRJPKK-LSDHHAIUSA-N 2 2 346.479 1.004 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCC[C@@H](C(=O)NCC[NH3+])C3)[nH+]cn2)C1 ZINC000420166326 447649973 /nfs/dbraw/zinc/64/99/73/447649973.db2.gz ODSXHGYHNRJPKK-LSDHHAIUSA-N 2 2 346.479 1.004 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000422535723 447623604 /nfs/dbraw/zinc/62/36/04/447623604.db2.gz CDNRIDURSXAFOI-LSDHHAIUSA-N 2 2 347.463 1.167 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000422535723 447623606 /nfs/dbraw/zinc/62/36/06/447623606.db2.gz CDNRIDURSXAFOI-LSDHHAIUSA-N 2 2 347.463 1.167 20 0 EDADLP CC[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451160482 447700218 /nfs/dbraw/zinc/70/02/18/447700218.db2.gz UTRIVMKBCZJKEF-OAHLLOKOSA-N 2 2 325.478 1.095 20 0 EDADLP CC[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451160482 447700221 /nfs/dbraw/zinc/70/02/21/447700221.db2.gz UTRIVMKBCZJKEF-OAHLLOKOSA-N 2 2 325.478 1.095 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416906112 447704090 /nfs/dbraw/zinc/70/40/90/447704090.db2.gz GVKUGXZSCFYLSB-LSDHHAIUSA-N 2 2 333.411 1.931 20 0 EDADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422585420 447655016 /nfs/dbraw/zinc/65/50/16/447655016.db2.gz CNPPGKQQBKSLIE-IRXDYDNUSA-N 2 2 344.459 1.400 20 0 EDADLP CC(C)(CC[NH3+])NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000422587922 447656518 /nfs/dbraw/zinc/65/65/18/447656518.db2.gz FZMPYKRMOCRGDJ-UHFFFAOYSA-N 2 2 329.448 1.901 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc(C)[nH+]1 ZINC000422590645 447659777 /nfs/dbraw/zinc/65/97/77/447659777.db2.gz PGDWGJUHZYRDGA-IYBDPMFKSA-N 2 2 346.475 1.694 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc(C)[nH+]1 ZINC000422590645 447659780 /nfs/dbraw/zinc/65/97/80/447659780.db2.gz PGDWGJUHZYRDGA-IYBDPMFKSA-N 2 2 346.475 1.694 20 0 EDADLP c1nc(N2CCSCC2)cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]1 ZINC000420221873 447676617 /nfs/dbraw/zinc/67/66/17/447676617.db2.gz USYKAGJWZZJXJZ-HNNXBMFYSA-N 2 2 333.505 1.998 20 0 EDADLP c1nc(N2CCC([C@@H]3CCC[NH2+]3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000420221873 447676623 /nfs/dbraw/zinc/67/66/23/447676623.db2.gz USYKAGJWZZJXJZ-HNNXBMFYSA-N 2 2 333.505 1.998 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422640448 447684130 /nfs/dbraw/zinc/68/41/30/447684130.db2.gz VORNTGZMROADLD-KKUMJFAQSA-N 2 2 340.489 1.774 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422640448 447684133 /nfs/dbraw/zinc/68/41/33/447684133.db2.gz VORNTGZMROADLD-KKUMJFAQSA-N 2 2 340.489 1.774 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416920350 447710598 /nfs/dbraw/zinc/71/05/98/447710598.db2.gz RIQNYETWEDQMSZ-YOEHRIQHSA-N 2 2 327.432 1.729 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416935686 447715046 /nfs/dbraw/zinc/71/50/46/447715046.db2.gz WWTHXPBJTYRQSD-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP CCNC(=O)C(C)(C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000459601492 447718906 /nfs/dbraw/zinc/71/89/06/447718906.db2.gz XENJIDVBSZSOEA-KRWDZBQOSA-N 2 2 333.476 1.782 20 0 EDADLP CCNC(=O)C(C)(C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000459601492 447718909 /nfs/dbraw/zinc/71/89/09/447718909.db2.gz XENJIDVBSZSOEA-KRWDZBQOSA-N 2 2 333.476 1.782 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422711100 447724401 /nfs/dbraw/zinc/72/44/01/447724401.db2.gz GQMASRWRFLITAR-MSOLQXFVSA-N 3 2 331.508 1.844 20 0 EDADLP Fc1ccc(-n2ccc(CC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)n2)cc1 ZINC000422796052 447752452 /nfs/dbraw/zinc/75/24/52/447752452.db2.gz XLASINPNVPRXQX-RTBURBONSA-N 2 2 344.434 1.911 20 0 EDADLP CCC(CC)[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000422815488 447757572 /nfs/dbraw/zinc/75/75/72/447757572.db2.gz BWZHNVLJJHGVNW-OTWHNJEPSA-N 2 2 339.524 1.480 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000422819323 447758682 /nfs/dbraw/zinc/75/86/82/447758682.db2.gz MRLOHMVDIQWGIT-WMZOPIPTSA-N 2 2 342.443 1.357 20 0 EDADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)ccc1OCC(=O)N(C)C ZINC000422939640 447776968 /nfs/dbraw/zinc/77/69/68/447776968.db2.gz MHJSEARQNVDUMU-HOCLYGCPSA-N 2 2 349.475 1.782 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000430555631 447777688 /nfs/dbraw/zinc/77/76/88/447777688.db2.gz SOILJAAGELDOAE-FQEVSTJZSA-N 3 2 346.519 1.862 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000430561231 447779450 /nfs/dbraw/zinc/77/94/50/447779450.db2.gz ZHXQGEZHVXJMIH-SFHVURJKSA-N 2 2 332.448 1.715 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)CCOc1ccccc1F ZINC000430579504 447781473 /nfs/dbraw/zinc/78/14/73/447781473.db2.gz QOFVSINIUIVZIR-MRXNPFEDSA-N 2 2 339.455 1.968 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)CCOc1ccccc1F ZINC000430579504 447781475 /nfs/dbraw/zinc/78/14/75/447781475.db2.gz QOFVSINIUIVZIR-MRXNPFEDSA-N 2 2 339.455 1.968 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423029084 447793699 /nfs/dbraw/zinc/79/36/99/447793699.db2.gz HPVBKYHKJWJYTG-AABGKKOBSA-N 3 2 345.487 1.110 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423029084 447793702 /nfs/dbraw/zinc/79/37/02/447793702.db2.gz HPVBKYHKJWJYTG-AABGKKOBSA-N 3 2 345.487 1.110 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCO1 ZINC000423080314 447801136 /nfs/dbraw/zinc/80/11/36/447801136.db2.gz ZNMRUULGAZSPGZ-XDNAFOTISA-N 3 2 325.497 1.234 20 0 EDADLP CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000423114843 447808855 /nfs/dbraw/zinc/80/88/55/447808855.db2.gz ZZTOAHARPZUFFQ-ZFWWWQNUSA-N 2 2 326.462 1.337 20 0 EDADLP COC(=O)Nc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000496574727 447824649 /nfs/dbraw/zinc/82/46/49/447824649.db2.gz YLUKSEMZEGWAAZ-DLBZAZTESA-N 2 2 333.432 1.764 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N[C@H]3CCn4cc[nH+]c4C3)[nH+]cn2)C1 ZINC000489945045 447880348 /nfs/dbraw/zinc/88/03/48/447880348.db2.gz MNCPVJMSUFHVPD-KGLIPLIRSA-N 2 2 328.420 1.309 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N[C@H]3CCn4cc[nH+]c4C3)nc[nH+]2)C1 ZINC000489945045 447880353 /nfs/dbraw/zinc/88/03/53/447880353.db2.gz MNCPVJMSUFHVPD-KGLIPLIRSA-N 2 2 328.420 1.309 20 0 EDADLP COCCn1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ccccc21 ZINC000575757270 447891449 /nfs/dbraw/zinc/89/14/49/447891449.db2.gz PBJUAXLGNDUJQH-AWEZNQCLSA-N 2 2 330.432 1.003 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000569906950 447912892 /nfs/dbraw/zinc/91/28/92/447912892.db2.gz GJRXOTZNCLFSSV-UHFFFAOYSA-N 2 2 326.444 1.786 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3CCC(=O)CC3)CC2)CC1 ZINC000530505917 447901476 /nfs/dbraw/zinc/90/14/76/447901476.db2.gz QRHAOODLYQNDNE-UHFFFAOYSA-N 2 2 335.492 1.811 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000575823519 447906746 /nfs/dbraw/zinc/90/67/46/447906746.db2.gz GENHTBLKYXLIFD-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000575823519 447906755 /nfs/dbraw/zinc/90/67/55/447906755.db2.gz GENHTBLKYXLIFD-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037963 447956223 /nfs/dbraw/zinc/95/62/23/447956223.db2.gz IZTGIHNVZFNOKR-SJLPKXTDSA-N 3 2 348.466 1.139 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037963 447956227 /nfs/dbraw/zinc/95/62/27/447956227.db2.gz IZTGIHNVZFNOKR-SJLPKXTDSA-N 3 2 348.466 1.139 20 0 EDADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037963 447956234 /nfs/dbraw/zinc/95/62/34/447956234.db2.gz IZTGIHNVZFNOKR-SJLPKXTDSA-N 3 2 348.466 1.139 20 0 EDADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037963 447956241 /nfs/dbraw/zinc/95/62/41/447956241.db2.gz IZTGIHNVZFNOKR-SJLPKXTDSA-N 3 2 348.466 1.139 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000570174122 447960059 /nfs/dbraw/zinc/96/00/59/447960059.db2.gz YJKANDPJWIDUSA-JTDSTZFVSA-N 2 2 348.491 1.688 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000570174122 447960064 /nfs/dbraw/zinc/96/00/64/447960064.db2.gz YJKANDPJWIDUSA-JTDSTZFVSA-N 2 2 348.491 1.688 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000570174122 447960068 /nfs/dbraw/zinc/96/00/68/447960068.db2.gz YJKANDPJWIDUSA-JTDSTZFVSA-N 2 2 348.491 1.688 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000570174122 447960073 /nfs/dbraw/zinc/96/00/73/447960073.db2.gz YJKANDPJWIDUSA-JTDSTZFVSA-N 2 2 348.491 1.688 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H](C)O1 ZINC000553247302 447982441 /nfs/dbraw/zinc/98/24/41/447982441.db2.gz SNNKANQMDIGWOX-RBSFLKMASA-N 2 2 334.464 1.450 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000570333209 447989811 /nfs/dbraw/zinc/98/98/11/447989811.db2.gz ZDOGWNFASZIGKI-KRWDZBQOSA-N 2 2 338.473 1.544 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000570333209 447989815 /nfs/dbraw/zinc/98/98/15/447989815.db2.gz ZDOGWNFASZIGKI-KRWDZBQOSA-N 2 2 338.473 1.544 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000570382851 447998946 /nfs/dbraw/zinc/99/89/46/447998946.db2.gz MSXYOEXIMUVJTM-HZPDHXFCSA-N 2 2 331.464 1.469 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496885547 448001575 /nfs/dbraw/zinc/00/15/75/448001575.db2.gz RBOPBCLPKJERJQ-YOEHRIQHSA-N 2 2 329.485 1.726 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496885547 448001578 /nfs/dbraw/zinc/00/15/78/448001578.db2.gz RBOPBCLPKJERJQ-YOEHRIQHSA-N 2 2 329.485 1.726 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000570398232 448003982 /nfs/dbraw/zinc/00/39/82/448003982.db2.gz UVTCMGMPRAQTFV-ZSZQSSIHSA-N 2 2 346.475 1.710 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000525621171 448007051 /nfs/dbraw/zinc/00/70/51/448007051.db2.gz OLWNRQPCRUNWOY-DZGCQCFKSA-N 2 2 328.420 1.465 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000525621171 448007058 /nfs/dbraw/zinc/00/70/58/448007058.db2.gz OLWNRQPCRUNWOY-DZGCQCFKSA-N 2 2 328.420 1.465 20 0 EDADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000576321656 448025914 /nfs/dbraw/zinc/02/59/14/448025914.db2.gz RRKDOFVAHOYDOR-KSSFIOAISA-N 2 2 333.476 1.760 20 0 EDADLP CC(C)C[C@@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)NC(=O)OC(C)(C)C ZINC000497279194 448033317 /nfs/dbraw/zinc/03/33/17/448033317.db2.gz DSZOJRZRHGXMFR-HOTGVXAUSA-N 2 2 342.528 1.761 20 0 EDADLP CC(C)C[C@@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)NC(=O)OC(C)(C)C ZINC000497279194 448033321 /nfs/dbraw/zinc/03/33/21/448033321.db2.gz DSZOJRZRHGXMFR-HOTGVXAUSA-N 2 2 342.528 1.761 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000531483338 448092739 /nfs/dbraw/zinc/09/27/39/448092739.db2.gz WSOWMXVOOUIGFS-WDEREUQCSA-N 2 2 345.369 1.870 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000531483338 448092742 /nfs/dbraw/zinc/09/27/42/448092742.db2.gz WSOWMXVOOUIGFS-WDEREUQCSA-N 2 2 345.369 1.870 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000576643545 448105512 /nfs/dbraw/zinc/10/55/12/448105512.db2.gz VRTWLGYEEDEJIT-MRXNPFEDSA-N 2 2 329.847 1.567 20 0 EDADLP CC(C)n1ccnc1C[N@@H+]1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491903442 448148326 /nfs/dbraw/zinc/14/83/26/448148326.db2.gz HAVKDKUGHBVFOG-ALCCZGGFSA-N 2 2 333.480 1.616 20 0 EDADLP CC(C)n1ccnc1C[N@H+]1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491903442 448148329 /nfs/dbraw/zinc/14/83/29/448148329.db2.gz HAVKDKUGHBVFOG-ALCCZGGFSA-N 2 2 333.480 1.616 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491903442 448148332 /nfs/dbraw/zinc/14/83/32/448148332.db2.gz HAVKDKUGHBVFOG-ALCCZGGFSA-N 2 2 333.480 1.616 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000576834964 448151938 /nfs/dbraw/zinc/15/19/38/448151938.db2.gz XZWFATHVDIUXFW-MRXNPFEDSA-N 2 2 334.464 1.353 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000576834964 448151942 /nfs/dbraw/zinc/15/19/42/448151942.db2.gz XZWFATHVDIUXFW-MRXNPFEDSA-N 2 2 334.464 1.353 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531909013 448171110 /nfs/dbraw/zinc/17/11/10/448171110.db2.gz AHZCZQMOEVBRHX-PMPSAXMXSA-N 2 2 335.452 1.214 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCCOC1CCCCC1 ZINC000571642550 448185676 /nfs/dbraw/zinc/18/56/76/448185676.db2.gz XCCIXEROZDNEAI-IBGZPJMESA-N 2 2 337.508 1.918 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCCOC1CCCCC1 ZINC000571642550 448185678 /nfs/dbraw/zinc/18/56/78/448185678.db2.gz XCCIXEROZDNEAI-IBGZPJMESA-N 2 2 337.508 1.918 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000514795972 448206027 /nfs/dbraw/zinc/20/60/27/448206027.db2.gz KHMVKOMYAQTENI-KRWDZBQOSA-N 2 2 325.497 1.460 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000514795972 448206029 /nfs/dbraw/zinc/20/60/29/448206029.db2.gz KHMVKOMYAQTENI-KRWDZBQOSA-N 2 2 325.497 1.460 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCc3sc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000514591059 448167729 /nfs/dbraw/zinc/16/77/29/448167729.db2.gz WUAUBNVJSBVUHZ-KOLCDFICSA-N 2 2 328.869 1.673 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCc3sc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000514591059 448167732 /nfs/dbraw/zinc/16/77/32/448167732.db2.gz WUAUBNVJSBVUHZ-KOLCDFICSA-N 2 2 328.869 1.673 20 0 EDADLP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000582423384 448234895 /nfs/dbraw/zinc/23/48/95/448234895.db2.gz VHUFAOSBPFBXPB-ZTFGCOKTSA-N 2 2 330.476 1.811 20 0 EDADLP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000582423384 448234898 /nfs/dbraw/zinc/23/48/98/448234898.db2.gz VHUFAOSBPFBXPB-ZTFGCOKTSA-N 2 2 330.476 1.811 20 0 EDADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3csnn3)CC2)C[C@@H](C)O1 ZINC000577146496 448218397 /nfs/dbraw/zinc/21/83/97/448218397.db2.gz DXAXVBOVKNJALF-ZIAGYGMSSA-N 2 2 340.493 1.628 20 0 EDADLP CC[N@H+](CC(=O)N[C@@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763541 448307559 /nfs/dbraw/zinc/30/75/59/448307559.db2.gz UNRYZJDYZRHUOQ-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP CC[N@@H+](CC(=O)N[C@@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763541 448307562 /nfs/dbraw/zinc/30/75/62/448307562.db2.gz UNRYZJDYZRHUOQ-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+](CC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763541 448307568 /nfs/dbraw/zinc/30/75/68/448307568.db2.gz UNRYZJDYZRHUOQ-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+](CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763541 448307572 /nfs/dbraw/zinc/30/75/72/448307572.db2.gz UNRYZJDYZRHUOQ-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(OC)c(Cl)c3)C2)CC1 ZINC000532778807 448312490 /nfs/dbraw/zinc/31/24/90/448312490.db2.gz WIPAFVMUITUQJA-OAHLLOKOSA-N 2 2 338.883 1.955 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(OC)c(Cl)c3)C2)CC1 ZINC000532778807 448312494 /nfs/dbraw/zinc/31/24/94/448312494.db2.gz WIPAFVMUITUQJA-OAHLLOKOSA-N 2 2 338.883 1.955 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1(C)C ZINC000582603214 448286771 /nfs/dbraw/zinc/28/67/71/448286771.db2.gz QFZZCUVWKHXVKY-LRDDRELGSA-N 2 2 338.477 1.602 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1(C)C ZINC000582603214 448286775 /nfs/dbraw/zinc/28/67/75/448286775.db2.gz QFZZCUVWKHXVKY-LRDDRELGSA-N 2 2 338.477 1.602 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000582789430 448342064 /nfs/dbraw/zinc/34/20/64/448342064.db2.gz ZHFDXZKSCCDPET-UHFFFAOYSA-N 3 2 344.503 1.451 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C2CC([NH3+])C2)CC1 ZINC000582789430 448342075 /nfs/dbraw/zinc/34/20/75/448342075.db2.gz ZHFDXZKSCCDPET-UHFFFAOYSA-N 3 2 344.503 1.451 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C2CC([NH3+])C2)CC1 ZINC000582789430 448342077 /nfs/dbraw/zinc/34/20/77/448342077.db2.gz ZHFDXZKSCCDPET-UHFFFAOYSA-N 3 2 344.503 1.451 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)no1 ZINC000564868891 448343569 /nfs/dbraw/zinc/34/35/69/448343569.db2.gz KDQQIHZPMQTZFO-CQSZACIVSA-N 2 2 330.432 2.422 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)no1 ZINC000564868891 448343576 /nfs/dbraw/zinc/34/35/76/448343576.db2.gz KDQQIHZPMQTZFO-CQSZACIVSA-N 2 2 330.432 2.422 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000515810947 448352708 /nfs/dbraw/zinc/35/27/08/448352708.db2.gz KPXLMAPCFOWIEU-GOEBONIOSA-N 2 2 347.463 1.097 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C(C)=O)no3)CC2)CC1 ZINC000582854573 448361638 /nfs/dbraw/zinc/36/16/38/448361638.db2.gz RJGSUKNMODBHJN-UHFFFAOYSA-N 2 2 334.464 1.869 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C(C)=O)no3)CC2)CC1 ZINC000582854573 448361643 /nfs/dbraw/zinc/36/16/43/448361643.db2.gz RJGSUKNMODBHJN-UHFFFAOYSA-N 2 2 334.464 1.869 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)ccc2n1C ZINC000577721064 448367493 /nfs/dbraw/zinc/36/74/93/448367493.db2.gz ABKQEDSCGRHURR-MNOVXSKESA-N 2 2 329.404 1.029 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)C1CC1 ZINC000572393336 448367831 /nfs/dbraw/zinc/36/78/31/448367831.db2.gz FWDHGKXVCVPJNZ-SWLSCSKDSA-N 2 2 339.386 1.115 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)C1CC1 ZINC000572393336 448367835 /nfs/dbraw/zinc/36/78/35/448367835.db2.gz FWDHGKXVCVPJNZ-SWLSCSKDSA-N 2 2 339.386 1.115 20 0 EDADLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)NC(=O)NCc1ccccc1 ZINC000591449579 448368241 /nfs/dbraw/zinc/36/82/41/448368241.db2.gz WWXIAHSHZGJTRH-HZPDHXFCSA-N 2 2 330.432 1.086 20 0 EDADLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)NC(=O)NCc1ccccc1 ZINC000591449579 448368245 /nfs/dbraw/zinc/36/82/45/448368245.db2.gz WWXIAHSHZGJTRH-HZPDHXFCSA-N 2 2 330.432 1.086 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000572254364 448328101 /nfs/dbraw/zinc/32/81/01/448328101.db2.gz MMXMOGVAIMZZRA-HDICACEKSA-N 3 2 333.524 1.843 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000572254364 448328108 /nfs/dbraw/zinc/32/81/08/448328108.db2.gz MMXMOGVAIMZZRA-HDICACEKSA-N 3 2 333.524 1.843 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000577766805 448383077 /nfs/dbraw/zinc/38/30/77/448383077.db2.gz KDAGLSOMXPJHKT-NWDGAFQWSA-N 2 2 348.369 1.293 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000577766805 448383085 /nfs/dbraw/zinc/38/30/85/448383085.db2.gz KDAGLSOMXPJHKT-NWDGAFQWSA-N 2 2 348.369 1.293 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCSC)CC2)CC1 ZINC000591546783 448386416 /nfs/dbraw/zinc/38/64/16/448386416.db2.gz SLBLTPLAHAVNQW-UHFFFAOYSA-N 2 2 328.526 1.551 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCSC)CC2)CC1 ZINC000591546783 448386418 /nfs/dbraw/zinc/38/64/18/448386418.db2.gz SLBLTPLAHAVNQW-UHFFFAOYSA-N 2 2 328.526 1.551 20 0 EDADLP [NH3+]Cc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)co1 ZINC000582904140 448374682 /nfs/dbraw/zinc/37/46/82/448374682.db2.gz CXBOQYWDXCDNQD-UHFFFAOYSA-N 3 2 342.443 1.462 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC12CC2 ZINC000527851725 448375073 /nfs/dbraw/zinc/37/50/73/448375073.db2.gz ASGTZFIFYKNUBI-HOTGVXAUSA-N 2 2 328.460 1.899 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000578043134 448449227 /nfs/dbraw/zinc/44/92/27/448449227.db2.gz DUTHWUVNWRAYHB-ZNMIVQPWSA-N 2 2 331.464 1.580 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@H]3CC[N@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000578043134 448449233 /nfs/dbraw/zinc/44/92/33/448449233.db2.gz DUTHWUVNWRAYHB-ZNMIVQPWSA-N 2 2 331.464 1.580 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)[nH+]cn2)C1 ZINC000578043134 448449237 /nfs/dbraw/zinc/44/92/37/448449237.db2.gz DUTHWUVNWRAYHB-ZNMIVQPWSA-N 2 2 331.464 1.580 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@H]3CC[N@H+](C4CC4)C3)[nH+]cn2)C1 ZINC000578043134 448449242 /nfs/dbraw/zinc/44/92/42/448449242.db2.gz DUTHWUVNWRAYHB-ZNMIVQPWSA-N 2 2 331.464 1.580 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000566407580 448462536 /nfs/dbraw/zinc/46/25/36/448462536.db2.gz OJZOAOBOLJNHQW-AWEZNQCLSA-N 2 2 327.375 1.160 20 0 EDADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3CCCN(Cc4[nH+]ccn4C)C3=O)C[C@H]2C1 ZINC000578185718 448478468 /nfs/dbraw/zinc/47/84/68/448478468.db2.gz BPEJWCCXCVLLOE-NNXHMXCWSA-N 2 2 346.475 1.704 20 0 EDADLP CC(C)c1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000566488720 448490245 /nfs/dbraw/zinc/49/02/45/448490245.db2.gz ADNLLFZKDRLORC-QWHCGFSZSA-N 2 2 331.464 1.646 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000535258888 448492371 /nfs/dbraw/zinc/49/23/71/448492371.db2.gz WYYRKRPAEMCFNH-UHFFFAOYSA-N 2 2 333.461 1.780 20 0 EDADLP Cn1ccc([C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000566672665 448533410 /nfs/dbraw/zinc/53/34/10/448533410.db2.gz YXVMNJSLIPEMMU-KRWDZBQOSA-N 2 2 347.850 1.184 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000566555646 448506222 /nfs/dbraw/zinc/50/62/22/448506222.db2.gz GDTWVTVKLFFXAM-BQFCYCMXSA-N 2 2 331.460 1.787 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C ZINC000578334029 448521399 /nfs/dbraw/zinc/52/13/99/448521399.db2.gz OIWFHRZFKBMXPX-BQFCYCMXSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C ZINC000578334029 448521405 /nfs/dbraw/zinc/52/14/05/448521405.db2.gz OIWFHRZFKBMXPX-BQFCYCMXSA-N 2 2 346.475 1.279 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOCC1CCC1 ZINC000584444016 448526985 /nfs/dbraw/zinc/52/69/85/448526985.db2.gz IRJYFEPQAMFSJI-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOCC1CCC1 ZINC000584444016 448526989 /nfs/dbraw/zinc/52/69/89/448526989.db2.gz IRJYFEPQAMFSJI-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP COCCOC[C@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000566851463 448571581 /nfs/dbraw/zinc/57/15/81/448571581.db2.gz XICUFLUCZIBJCG-HOTGVXAUSA-N 2 2 335.448 1.655 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000566676786 448535554 /nfs/dbraw/zinc/53/55/54/448535554.db2.gz FPEWSBOOFVIXBZ-LSDHHAIUSA-N 2 2 334.464 1.444 20 0 EDADLP CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000584463851 448535623 /nfs/dbraw/zinc/53/56/23/448535623.db2.gz KQEOQSDIUWHDKX-ROUUACIJSA-N 2 2 331.460 1.779 20 0 EDADLP CCCS(=O)(=O)NC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000584477472 448541870 /nfs/dbraw/zinc/54/18/70/448541870.db2.gz IBQZHEVTTMEIFE-UHFFFAOYSA-N 2 2 328.482 1.147 20 0 EDADLP O=S1(=O)CCC(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000536836831 448544705 /nfs/dbraw/zinc/54/47/05/448544705.db2.gz BSCACLGDYNSRGO-UHFFFAOYSA-N 2 2 337.489 1.855 20 0 EDADLP CC[C@H]([NH2+]C[C@@H]1CCCCN1S(=O)(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000573355099 448606712 /nfs/dbraw/zinc/60/67/12/448606712.db2.gz LMJJQBURXOHQHQ-JYJNAYRXSA-N 2 2 346.541 1.158 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000538587703 448590120 /nfs/dbraw/zinc/59/01/20/448590120.db2.gz VNGDKRCXJBPDIM-WDSOQIARSA-N 3 2 346.519 1.348 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000538587703 448590128 /nfs/dbraw/zinc/59/01/28/448590128.db2.gz VNGDKRCXJBPDIM-WDSOQIARSA-N 3 2 346.519 1.348 20 0 EDADLP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000566960710 448591514 /nfs/dbraw/zinc/59/15/14/448591514.db2.gz UODOTEXHTQPYJC-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP CCN(CCSC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591941107 448592958 /nfs/dbraw/zinc/59/29/58/448592958.db2.gz WMKXETIJZHYVLF-CQSZACIVSA-N 2 2 328.526 1.549 20 0 EDADLP CCN(CCSC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591941107 448592962 /nfs/dbraw/zinc/59/29/62/448592962.db2.gz WMKXETIJZHYVLF-CQSZACIVSA-N 2 2 328.526 1.549 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)C[C@@H](C)O1 ZINC000573318349 448597295 /nfs/dbraw/zinc/59/72/95/448597295.db2.gz XFMNKCGQSWPYNL-BZPMIXESSA-N 2 2 346.393 1.706 20 0 EDADLP CC(C)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH+]1CCN(C)CC1 ZINC000540888332 448648977 /nfs/dbraw/zinc/64/89/77/448648977.db2.gz DCONEKWTNAQYDK-GOSISDBHSA-N 2 2 347.507 1.150 20 0 EDADLP CC(C)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)N1CC[NH+](C)CC1 ZINC000540888332 448648984 /nfs/dbraw/zinc/64/89/84/448648984.db2.gz DCONEKWTNAQYDK-GOSISDBHSA-N 2 2 347.507 1.150 20 0 EDADLP CC(C)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH+]1CCN(C)CC1 ZINC000540888333 448649709 /nfs/dbraw/zinc/64/97/09/448649709.db2.gz DCONEKWTNAQYDK-SFHVURJKSA-N 2 2 347.507 1.150 20 0 EDADLP CC(C)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)N1CC[NH+](C)CC1 ZINC000540888333 448649717 /nfs/dbraw/zinc/64/97/17/448649717.db2.gz DCONEKWTNAQYDK-SFHVURJKSA-N 2 2 347.507 1.150 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3nccc(N)n3)CC2)CC1 ZINC000584847674 448656412 /nfs/dbraw/zinc/65/64/12/448656412.db2.gz UUIGRYYASJGDLN-OAHLLOKOSA-N 2 2 332.496 1.612 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3nccc(N)n3)CC2)CC1 ZINC000584847674 448656413 /nfs/dbraw/zinc/65/64/13/448656413.db2.gz UUIGRYYASJGDLN-OAHLLOKOSA-N 2 2 332.496 1.612 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3nccc(N)n3)CC2)CC1 ZINC000584847674 448656415 /nfs/dbraw/zinc/65/64/15/448656415.db2.gz UUIGRYYASJGDLN-OAHLLOKOSA-N 2 2 332.496 1.612 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3nccc(N)n3)CC2)CC1 ZINC000584847674 448656416 /nfs/dbraw/zinc/65/64/16/448656416.db2.gz UUIGRYYASJGDLN-OAHLLOKOSA-N 2 2 332.496 1.612 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000528780152 448673398 /nfs/dbraw/zinc/67/33/98/448673398.db2.gz CARVZFQAARTXNO-OAHLLOKOSA-N 2 2 325.497 1.722 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)Cn3cc[nH+]c3)n2)c1C ZINC000518637855 448696173 /nfs/dbraw/zinc/69/61/73/448696173.db2.gz SRFRPTUHDNHXPW-UHFFFAOYSA-N 2 2 341.375 1.182 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000518733166 448702553 /nfs/dbraw/zinc/70/25/53/448702553.db2.gz VJDFJIOCPZMYTM-SZMVWBNQSA-N 2 2 346.475 1.266 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000518733166 448702558 /nfs/dbraw/zinc/70/25/58/448702558.db2.gz VJDFJIOCPZMYTM-SZMVWBNQSA-N 2 2 346.475 1.266 20 0 EDADLP COc1ccc(-c2cnc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)o2)cc1 ZINC000573817689 448722519 /nfs/dbraw/zinc/72/25/19/448722519.db2.gz ZJQXYCTYSHZHCB-UKRRQHHQSA-N 2 2 342.399 1.094 20 0 EDADLP COc1ccc(-c2cnc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)o2)cc1 ZINC000573817689 448722523 /nfs/dbraw/zinc/72/25/23/448722523.db2.gz ZJQXYCTYSHZHCB-UKRRQHHQSA-N 2 2 342.399 1.094 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@]4(C3)CCC[N@H+](C)C4)nc[nH+]2)C1 ZINC000573782025 448709512 /nfs/dbraw/zinc/70/95/12/448709512.db2.gz GURCGYLYPXQKID-TXPKVOOTSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@]4(C3)CCC[N@@H+](C)C4)nc[nH+]2)C1 ZINC000573782025 448709519 /nfs/dbraw/zinc/70/95/19/448709519.db2.gz GURCGYLYPXQKID-TXPKVOOTSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@]4(C3)CCC[N@H+](C)C4)[nH+]cn2)C1 ZINC000573782025 448709523 /nfs/dbraw/zinc/70/95/23/448709523.db2.gz GURCGYLYPXQKID-TXPKVOOTSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@]4(C3)CCC[N@@H+](C)C4)[nH+]cn2)C1 ZINC000573782025 448709527 /nfs/dbraw/zinc/70/95/27/448709527.db2.gz GURCGYLYPXQKID-TXPKVOOTSA-N 2 2 345.491 1.606 20 0 EDADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)n2)c1 ZINC000579108282 448715948 /nfs/dbraw/zinc/71/59/48/448715948.db2.gz OIHUBSGIGPNZHN-IHRRRGAJSA-N 2 2 330.436 1.593 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](CCc1ccccn1)Cc1cccnc1 ZINC000519176789 448750533 /nfs/dbraw/zinc/75/05/33/448750533.db2.gz JUSDDFYMIRQWRU-IBGZPJMESA-N 2 2 328.460 1.834 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1ccccn1)Cc1cccnc1 ZINC000519176789 448750536 /nfs/dbraw/zinc/75/05/36/448750536.db2.gz JUSDDFYMIRQWRU-IBGZPJMESA-N 2 2 328.460 1.834 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000519176789 448750540 /nfs/dbraw/zinc/75/05/40/448750540.db2.gz JUSDDFYMIRQWRU-IBGZPJMESA-N 2 2 328.460 1.834 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000519176789 448750545 /nfs/dbraw/zinc/75/05/45/448750545.db2.gz JUSDDFYMIRQWRU-IBGZPJMESA-N 2 2 328.460 1.834 20 0 EDADLP CCCOc1ccc(OCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000567753802 448752845 /nfs/dbraw/zinc/75/28/45/448752845.db2.gz HVAVZSLJJWWUCQ-PBHICJAKSA-N 2 2 333.432 1.098 20 0 EDADLP CN(C)c1nc(N)nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000585748498 448755512 /nfs/dbraw/zinc/75/55/12/448755512.db2.gz QFHHJIMWBGJYKG-UHFFFAOYSA-N 2 2 347.511 1.608 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000568166852 448827506 /nfs/dbraw/zinc/82/75/06/448827506.db2.gz VPRQBCOHVBBICJ-OCCSQVGLSA-N 2 2 326.437 1.676 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000568166852 448827509 /nfs/dbraw/zinc/82/75/09/448827509.db2.gz VPRQBCOHVBBICJ-OCCSQVGLSA-N 2 2 326.437 1.676 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cc(F)ccc2F)C[C@H](C)O1 ZINC000568254749 448846011 /nfs/dbraw/zinc/84/60/11/448846011.db2.gz LMNBKIYMFXOZMY-ZENOOKHLSA-N 2 2 328.403 1.567 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cc(F)ccc2F)C[C@H](C)O1 ZINC000568254749 448846014 /nfs/dbraw/zinc/84/60/14/448846014.db2.gz LMNBKIYMFXOZMY-ZENOOKHLSA-N 2 2 328.403 1.567 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000529353237 448837385 /nfs/dbraw/zinc/83/73/85/448837385.db2.gz FZDAKXMYPHZNIG-QGZVFWFLSA-N 2 2 346.450 1.938 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@](C)(C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529367690 448843393 /nfs/dbraw/zinc/84/33/93/448843393.db2.gz PKUBKGCEGMWUJM-KRWDZBQOSA-N 2 2 334.468 1.701 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)n1C ZINC000568269336 448847329 /nfs/dbraw/zinc/84/73/29/448847329.db2.gz ICPOSPDIIUDCKI-LLVKDONJSA-N 2 2 330.396 1.774 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@H]1OCCc2sccc21 ZINC000574385188 448861073 /nfs/dbraw/zinc/86/10/73/448861073.db2.gz QWHDRVGEDQZXKS-YWPYICTPSA-N 2 2 338.477 1.035 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@H]1OCCc2sccc21 ZINC000574385188 448861077 /nfs/dbraw/zinc/86/10/77/448861077.db2.gz QWHDRVGEDQZXKS-YWPYICTPSA-N 2 2 338.477 1.035 20 0 EDADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c21 ZINC000592562377 448901822 /nfs/dbraw/zinc/90/18/22/448901822.db2.gz FCCQMHGLRQJSLE-UONOGXRCSA-N 2 2 340.431 1.123 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CC(F)(F)C1 ZINC000529540115 448893115 /nfs/dbraw/zinc/89/31/15/448893115.db2.gz FOQSCJWHDZBEKU-YPMHNXCESA-N 2 2 326.391 1.935 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000574528825 448896044 /nfs/dbraw/zinc/89/60/44/448896044.db2.gz OJWDQKTYVBLFET-XHSDSOJGSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000574528825 448896049 /nfs/dbraw/zinc/89/60/49/448896049.db2.gz OJWDQKTYVBLFET-XHSDSOJGSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000574528825 448896051 /nfs/dbraw/zinc/89/60/51/448896051.db2.gz OJWDQKTYVBLFET-XHSDSOJGSA-N 2 2 344.496 1.225 20 0 EDADLP COc1cccc(Cl)c1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000574750784 448947017 /nfs/dbraw/zinc/94/70/17/448947017.db2.gz CUDBFCRBGDRBTG-CYBMUJFWSA-N 2 2 327.856 1.047 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)CC(C)(C)C ZINC000588938509 448952463 /nfs/dbraw/zinc/95/24/63/448952463.db2.gz HFSRDMHKCNJLIE-SFHVURJKSA-N 2 2 347.503 1.982 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)CC(C)(C)C ZINC000588938509 448952467 /nfs/dbraw/zinc/95/24/67/448952467.db2.gz HFSRDMHKCNJLIE-SFHVURJKSA-N 2 2 347.503 1.982 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)CC(C)(C)C ZINC000588938509 448952472 /nfs/dbraw/zinc/95/24/72/448952472.db2.gz HFSRDMHKCNJLIE-SFHVURJKSA-N 2 2 347.503 1.982 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)CC(C)(C)C ZINC000588938509 448952475 /nfs/dbraw/zinc/95/24/75/448952475.db2.gz HFSRDMHKCNJLIE-SFHVURJKSA-N 2 2 347.503 1.982 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1C1(O)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000574856103 448970317 /nfs/dbraw/zinc/97/03/17/448970317.db2.gz VSCQWWRLAUQJTM-KRWDZBQOSA-N 2 2 347.459 1.303 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1C1(O)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000574856103 448970321 /nfs/dbraw/zinc/97/03/21/448970321.db2.gz VSCQWWRLAUQJTM-KRWDZBQOSA-N 2 2 347.459 1.303 20 0 EDADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000548085788 448981742 /nfs/dbraw/zinc/98/17/42/448981742.db2.gz DYOFUEAIPOOXFP-UHFFFAOYSA-N 2 2 342.447 1.151 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000522315766 449078057 /nfs/dbraw/zinc/07/80/57/449078057.db2.gz DAIFRUAZAMWZNS-UHFFFAOYSA-N 2 2 336.399 1.654 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000582369701 449079846 /nfs/dbraw/zinc/07/98/46/449079846.db2.gz SYFPSWJLYMQPTE-WBVHZDCISA-N 2 2 341.459 1.964 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000582369701 449079850 /nfs/dbraw/zinc/07/98/50/449079850.db2.gz SYFPSWJLYMQPTE-WBVHZDCISA-N 2 2 341.459 1.964 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000582369701 449079858 /nfs/dbraw/zinc/07/98/58/449079858.db2.gz SYFPSWJLYMQPTE-WBVHZDCISA-N 2 2 341.459 1.964 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000582369701 449079863 /nfs/dbraw/zinc/07/98/63/449079863.db2.gz SYFPSWJLYMQPTE-WBVHZDCISA-N 2 2 341.459 1.964 20 0 EDADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000575172897 449053321 /nfs/dbraw/zinc/05/33/21/449053321.db2.gz SNDNNAOHNMKUQP-RDGPPVDQSA-N 3 2 337.508 1.111 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000530241288 449092034 /nfs/dbraw/zinc/09/20/34/449092034.db2.gz PPOFLBZRBJSEEI-QZTJIDSGSA-N 2 2 333.476 1.316 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000530241288 449092039 /nfs/dbraw/zinc/09/20/39/449092039.db2.gz PPOFLBZRBJSEEI-QZTJIDSGSA-N 2 2 333.476 1.316 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+](C)C2CCC2)cc1 ZINC000530272811 449099089 /nfs/dbraw/zinc/09/90/89/449099089.db2.gz CWQPDRYGZZSMPD-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C[NH+](C)C2CCC2)cc1 ZINC000530272811 449099094 /nfs/dbraw/zinc/09/90/94/449099094.db2.gz CWQPDRYGZZSMPD-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000530272811 449099097 /nfs/dbraw/zinc/09/90/97/449099097.db2.gz CWQPDRYGZZSMPD-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000530272811 449099105 /nfs/dbraw/zinc/09/91/05/449099105.db2.gz CWQPDRYGZZSMPD-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000593032800 449109243 /nfs/dbraw/zinc/10/92/43/449109243.db2.gz AKHUPWQKODGZJF-UHFFFAOYSA-N 2 2 332.444 1.800 20 0 EDADLP CCOC(=O)C(C)(C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601809545 449164699 /nfs/dbraw/zinc/16/46/99/449164699.db2.gz YXPHCYPWWQPTSR-UHFFFAOYSA-N 2 2 348.447 1.751 20 0 EDADLP CCOC(=O)c1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000600118848 449200234 /nfs/dbraw/zinc/20/02/34/449200234.db2.gz CJGXSCTZTDRFBB-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP CCOC(=O)c1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000600118848 449200235 /nfs/dbraw/zinc/20/02/35/449200235.db2.gz CJGXSCTZTDRFBB-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331506 449208125 /nfs/dbraw/zinc/20/81/25/449208125.db2.gz QIEZRPUGFGWAJF-WBVHZDCISA-N 2 2 330.476 1.860 20 0 EDADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331506 449208131 /nfs/dbraw/zinc/20/81/31/449208131.db2.gz QIEZRPUGFGWAJF-WBVHZDCISA-N 2 2 330.476 1.860 20 0 EDADLP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)[NH+]1CCCC1 ZINC000600146109 449215015 /nfs/dbraw/zinc/21/50/15/449215015.db2.gz WEMSXKIDKHJILM-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn4cccc(F)c4n3)C2)CC1 ZINC000611268924 449244159 /nfs/dbraw/zinc/24/41/59/449244159.db2.gz ICFFRPOYTSNMHT-INIZCTEOSA-N 2 2 331.439 1.685 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn4cccc(F)c4n3)C2)CC1 ZINC000611268924 449244165 /nfs/dbraw/zinc/24/41/65/449244165.db2.gz ICFFRPOYTSNMHT-INIZCTEOSA-N 2 2 331.439 1.685 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1c(F)cccc1F ZINC000604643733 449267496 /nfs/dbraw/zinc/26/74/96/449267496.db2.gz XMDURCVLJMKQCR-WFASDCNBSA-N 2 2 340.418 1.961 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1c(F)cccc1F ZINC000604643733 449267502 /nfs/dbraw/zinc/26/75/02/449267502.db2.gz XMDURCVLJMKQCR-WFASDCNBSA-N 2 2 340.418 1.961 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc4c3OCCO4)CC2)C1 ZINC000604389214 449223028 /nfs/dbraw/zinc/22/30/28/449223028.db2.gz WBJSCSJXVLDOTE-KRWDZBQOSA-N 2 2 331.460 1.670 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc4c3OCCO4)CC2)C1 ZINC000604389214 449223031 /nfs/dbraw/zinc/22/30/31/449223031.db2.gz WBJSCSJXVLDOTE-KRWDZBQOSA-N 2 2 331.460 1.670 20 0 EDADLP COc1cc2c(cc1C[NH2+]CCC[NH+]1CCC(O)CC1)O[C@H](C)C2 ZINC000604891729 449324884 /nfs/dbraw/zinc/32/48/84/449324884.db2.gz RJHKENNAZMQQHQ-CQSZACIVSA-N 2 2 334.460 1.955 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H](C)C1 ZINC000602133047 449370288 /nfs/dbraw/zinc/37/02/88/449370288.db2.gz OAKBPOWTFRBDMQ-AWEZNQCLSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H](C)C1 ZINC000602133047 449370291 /nfs/dbraw/zinc/37/02/91/449370291.db2.gz OAKBPOWTFRBDMQ-AWEZNQCLSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC000602133047 449370294 /nfs/dbraw/zinc/37/02/94/449370294.db2.gz OAKBPOWTFRBDMQ-AWEZNQCLSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC000602133047 449370297 /nfs/dbraw/zinc/37/02/97/449370297.db2.gz OAKBPOWTFRBDMQ-AWEZNQCLSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC000602133048 449370468 /nfs/dbraw/zinc/37/04/68/449370468.db2.gz OAKBPOWTFRBDMQ-CQSZACIVSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC000602133048 449370470 /nfs/dbraw/zinc/37/04/70/449370470.db2.gz OAKBPOWTFRBDMQ-CQSZACIVSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC000602133048 449370474 /nfs/dbraw/zinc/37/04/74/449370474.db2.gz OAKBPOWTFRBDMQ-CQSZACIVSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC000602133048 449370479 /nfs/dbraw/zinc/37/04/79/449370479.db2.gz OAKBPOWTFRBDMQ-CQSZACIVSA-N 2 2 327.469 1.060 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000607145105 449578193 /nfs/dbraw/zinc/57/81/93/449578193.db2.gz CAMACRZDZWBPQB-UHFFFAOYSA-N 2 2 329.452 1.471 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000607145105 449578196 /nfs/dbraw/zinc/57/81/96/449578196.db2.gz CAMACRZDZWBPQB-UHFFFAOYSA-N 2 2 329.452 1.471 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607348011 449600510 /nfs/dbraw/zinc/60/05/10/449600510.db2.gz TYVRFFUQTBUFJU-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607348011 449600516 /nfs/dbraw/zinc/60/05/16/449600516.db2.gz TYVRFFUQTBUFJU-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607348011 449600523 /nfs/dbraw/zinc/60/05/23/449600523.db2.gz TYVRFFUQTBUFJU-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607348011 449600530 /nfs/dbraw/zinc/60/05/30/449600530.db2.gz TYVRFFUQTBUFJU-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000617506651 449654768 /nfs/dbraw/zinc/65/47/68/449654768.db2.gz VFVJWQPENZJHRH-HNNXBMFYSA-N 3 2 344.463 1.269 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000617506651 449654779 /nfs/dbraw/zinc/65/47/79/449654779.db2.gz VFVJWQPENZJHRH-HNNXBMFYSA-N 3 2 344.463 1.269 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)no2)[C@H](C)C1 ZINC000602544574 449665810 /nfs/dbraw/zinc/66/58/10/449665810.db2.gz HKFVKIFXIVZMHU-UKRRQHHQSA-N 2 2 339.436 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)no2)[C@H](C)C1 ZINC000602544574 449665819 /nfs/dbraw/zinc/66/58/19/449665819.db2.gz HKFVKIFXIVZMHU-UKRRQHHQSA-N 2 2 339.436 1.688 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCCOCCC[NH3+])cn2c1 ZINC000602552290 449669793 /nfs/dbraw/zinc/66/97/93/449669793.db2.gz NLEARKFJIYMJHU-UHFFFAOYSA-N 2 2 336.461 1.358 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000612464779 449720733 /nfs/dbraw/zinc/72/07/33/449720733.db2.gz GERGIKUFZOTZQM-FPCVCCKLSA-N 2 2 332.448 1.283 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@H](C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000601105707 449692717 /nfs/dbraw/zinc/69/27/17/449692717.db2.gz NFKQVMUEVMIXSW-AWEZNQCLSA-N 2 2 334.464 2.425 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617703735 449751559 /nfs/dbraw/zinc/75/15/59/449751559.db2.gz NQAXSZHXQKRLOI-GOSISDBHSA-N 2 2 342.443 1.236 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617703735 449751566 /nfs/dbraw/zinc/75/15/66/449751566.db2.gz NQAXSZHXQKRLOI-GOSISDBHSA-N 2 2 342.443 1.236 20 0 EDADLP Cc1nnc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1CC1CC1 ZINC000612559995 449774764 /nfs/dbraw/zinc/77/47/64/449774764.db2.gz MSCFHKJRIWCAFB-UHFFFAOYSA-N 2 2 346.523 1.991 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000617763309 449822947 /nfs/dbraw/zinc/82/29/47/449822947.db2.gz MMWJNQDNTAKQGX-QGZVFWFLSA-N 2 2 332.492 1.513 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000617763309 449822954 /nfs/dbraw/zinc/82/29/54/449822954.db2.gz MMWJNQDNTAKQGX-QGZVFWFLSA-N 2 2 332.492 1.513 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000617764003 449824766 /nfs/dbraw/zinc/82/47/66/449824766.db2.gz FITLZVLJQOMHPI-CQSZACIVSA-N 2 2 335.448 1.519 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000617764003 449824773 /nfs/dbraw/zinc/82/47/73/449824773.db2.gz FITLZVLJQOMHPI-CQSZACIVSA-N 2 2 335.448 1.519 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CSc1ccc(O)cc1 ZINC000617765558 449826903 /nfs/dbraw/zinc/82/69/03/449826903.db2.gz GLEXSZBLDTVYCI-UHFFFAOYSA-N 2 2 325.478 1.484 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CSc1ccc(O)cc1 ZINC000617765558 449826908 /nfs/dbraw/zinc/82/69/08/449826908.db2.gz GLEXSZBLDTVYCI-UHFFFAOYSA-N 2 2 325.478 1.484 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1occc1Br ZINC000617765955 449829237 /nfs/dbraw/zinc/82/92/37/449829237.db2.gz XLGWPZMRADJKNJ-UHFFFAOYSA-N 2 2 332.242 1.655 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1occc1Br ZINC000617765955 449829243 /nfs/dbraw/zinc/82/92/43/449829243.db2.gz XLGWPZMRADJKNJ-UHFFFAOYSA-N 2 2 332.242 1.655 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cncn1-c1ccc(F)cc1 ZINC000617768325 449832706 /nfs/dbraw/zinc/83/27/06/449832706.db2.gz ZAXSFBKXJIHQJW-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cncn1-c1ccc(F)cc1 ZINC000617768325 449832713 /nfs/dbraw/zinc/83/27/13/449832713.db2.gz ZAXSFBKXJIHQJW-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000601326804 449833028 /nfs/dbraw/zinc/83/30/28/449833028.db2.gz PYVCHDOSENVLNA-GVXVVHGQSA-N 2 2 337.445 1.167 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000601326804 449833034 /nfs/dbraw/zinc/83/30/34/449833034.db2.gz PYVCHDOSENVLNA-GVXVVHGQSA-N 2 2 337.445 1.167 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cncn1-c1ccccc1 ZINC000617768474 449834149 /nfs/dbraw/zinc/83/41/49/449834149.db2.gz FUYULKUZXUQYKE-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cncn1-c1ccccc1 ZINC000617768474 449834155 /nfs/dbraw/zinc/83/41/55/449834155.db2.gz FUYULKUZXUQYKE-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601334246 449842122 /nfs/dbraw/zinc/84/21/22/449842122.db2.gz JXXQXHTUNWBADY-ZBFHGGJFSA-N 2 2 331.416 1.486 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000601334246 449842128 /nfs/dbraw/zinc/84/21/28/449842128.db2.gz JXXQXHTUNWBADY-ZBFHGGJFSA-N 2 2 331.416 1.486 20 0 EDADLP CSC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000602920709 449923049 /nfs/dbraw/zinc/92/30/49/449923049.db2.gz ZJJZMGVCHIEHTR-UHFFFAOYSA-N 2 2 329.510 1.041 20 0 EDADLP C[NH+](C)CCCCC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000615098744 449958043 /nfs/dbraw/zinc/95/80/43/449958043.db2.gz SHGQFZWRRGCLDL-MRXNPFEDSA-N 2 2 343.537 1.385 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612963295 449959349 /nfs/dbraw/zinc/95/93/49/449959349.db2.gz LUIVGBSFHGDETC-OAHLLOKOSA-N 2 2 329.448 1.623 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000615107818 449962337 /nfs/dbraw/zinc/96/23/37/449962337.db2.gz JYVCTVFJRGVAGV-GVDBMIGSSA-N 2 2 340.427 1.729 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000615107818 449962345 /nfs/dbraw/zinc/96/23/45/449962345.db2.gz JYVCTVFJRGVAGV-GVDBMIGSSA-N 2 2 340.427 1.729 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612971544 449965177 /nfs/dbraw/zinc/96/51/77/449965177.db2.gz VDZGYWOHOIQWCI-LLVKDONJSA-N 2 2 345.369 1.729 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157615 449971275 /nfs/dbraw/zinc/97/12/75/449971275.db2.gz KMZAFPXOFZUIBE-OWCLPIDISA-N 2 2 347.463 1.925 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157615 449971283 /nfs/dbraw/zinc/97/12/83/449971283.db2.gz KMZAFPXOFZUIBE-OWCLPIDISA-N 2 2 347.463 1.925 20 0 EDADLP CCn1nc(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000601479770 450002381 /nfs/dbraw/zinc/00/23/81/450002381.db2.gz SVVUJDXLJVEUEH-QGZVFWFLSA-N 2 2 347.507 1.760 20 0 EDADLP CCn1nc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000601479770 450002388 /nfs/dbraw/zinc/00/23/88/450002388.db2.gz SVVUJDXLJVEUEH-QGZVFWFLSA-N 2 2 347.507 1.760 20 0 EDADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000615305781 450056002 /nfs/dbraw/zinc/05/60/02/450056002.db2.gz XQHYASUNOCBVER-WMLDXEAASA-N 2 2 332.448 1.078 20 0 EDADLP COC(=O)[C@]1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCCC(C)(C)C1 ZINC000599559290 450059639 /nfs/dbraw/zinc/05/96/39/450059639.db2.gz SZRIRLKBLKJMHM-SFHVURJKSA-N 2 2 339.480 1.252 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585602 450086179 /nfs/dbraw/zinc/08/61/79/450086179.db2.gz FQZUKRQZDRFRQM-HUUCEWRRSA-N 2 2 339.480 1.060 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599585602 450086181 /nfs/dbraw/zinc/08/61/81/450086181.db2.gz FQZUKRQZDRFRQM-HUUCEWRRSA-N 2 2 339.480 1.060 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@H+](C)C1 ZINC000601630634 450127005 /nfs/dbraw/zinc/12/70/05/450127005.db2.gz CZUWAXHAYLKLQX-HNNXBMFYSA-N 2 2 342.399 1.254 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@@H+](C)C1 ZINC000601630634 450127008 /nfs/dbraw/zinc/12/70/08/450127008.db2.gz CZUWAXHAYLKLQX-HNNXBMFYSA-N 2 2 342.399 1.254 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@]2(CC[NH+](C)C2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000615605147 450163062 /nfs/dbraw/zinc/16/30/62/450163062.db2.gz TUKLXFWSCFSDLW-LMMKCTJWSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@]2(CC[NH+](C)C2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000615605147 450163066 /nfs/dbraw/zinc/16/30/66/450163066.db2.gz TUKLXFWSCFSDLW-LMMKCTJWSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)[NH+]1CCO[C@H](CC)C1 ZINC000615605147 450163069 /nfs/dbraw/zinc/16/30/69/450163069.db2.gz TUKLXFWSCFSDLW-LMMKCTJWSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)[NH+]1CCO[C@H](CC)C1 ZINC000615605147 450163073 /nfs/dbraw/zinc/16/30/73/450163073.db2.gz TUKLXFWSCFSDLW-LMMKCTJWSA-N 2 2 337.508 1.820 20 0 EDADLP CN(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH+]cn1C ZINC000618669836 450269274 /nfs/dbraw/zinc/26/92/74/450269274.db2.gz LJFJBQFPMJZCFZ-WMLDXEAASA-N 2 2 333.480 1.546 20 0 EDADLP CN(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1c[nH+]cn1C ZINC000618669836 450269275 /nfs/dbraw/zinc/26/92/75/450269275.db2.gz LJFJBQFPMJZCFZ-WMLDXEAASA-N 2 2 333.480 1.546 20 0 EDADLP [NH3+]C1(CNC(=O)C(=O)c2ccc[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000623068489 450388931 /nfs/dbraw/zinc/38/89/31/450388931.db2.gz BBTHDSKFYUDWRP-UHFFFAOYSA-N 2 2 340.427 1.307 20 0 EDADLP C[C@H](C[NH2+]Cc1cn(-c2ccc(F)cc2)nn1)C[NH+]1CCOCC1 ZINC000623427073 450520672 /nfs/dbraw/zinc/52/06/72/450520672.db2.gz LLEWUNVYPZZAPV-CQSZACIVSA-N 2 2 333.411 1.464 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000623477886 450528459 /nfs/dbraw/zinc/52/84/59/450528459.db2.gz VMDBBZGHHFCLSE-MRXNPFEDSA-N 2 2 349.479 1.558 20 0 EDADLP C[N@@H+]1C[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](c2ccccc2)C1 ZINC000626081631 450571106 /nfs/dbraw/zinc/57/11/06/450571106.db2.gz ILKLMKFLQQLDEQ-OTWHNJEPSA-N 2 2 343.471 1.265 20 0 EDADLP C[N@H+]1C[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](c2ccccc2)C1 ZINC000626081631 450571108 /nfs/dbraw/zinc/57/11/08/450571108.db2.gz ILKLMKFLQQLDEQ-OTWHNJEPSA-N 2 2 343.471 1.265 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623493999 450531311 /nfs/dbraw/zinc/53/13/11/450531311.db2.gz YURVRZWLWXYTHM-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623493999 450531314 /nfs/dbraw/zinc/53/13/14/450531314.db2.gz YURVRZWLWXYTHM-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623493999 450531315 /nfs/dbraw/zinc/53/13/15/450531315.db2.gz YURVRZWLWXYTHM-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623493999 450531317 /nfs/dbraw/zinc/53/13/17/450531317.db2.gz YURVRZWLWXYTHM-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000620773170 450542351 /nfs/dbraw/zinc/54/23/51/450542351.db2.gz ROXYCBUYNKIRSY-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000620773170 450542352 /nfs/dbraw/zinc/54/23/52/450542352.db2.gz ROXYCBUYNKIRSY-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620773170 450542354 /nfs/dbraw/zinc/54/23/54/450542354.db2.gz ROXYCBUYNKIRSY-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620773170 450542355 /nfs/dbraw/zinc/54/23/55/450542355.db2.gz ROXYCBUYNKIRSY-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)[nH+]c12 ZINC000620966478 450566382 /nfs/dbraw/zinc/56/63/82/450566382.db2.gz HAPGKXZGQHCBGW-KRWDZBQOSA-N 2 2 344.459 1.754 20 0 EDADLP CNS(=O)(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000621262015 450640573 /nfs/dbraw/zinc/64/05/73/450640573.db2.gz LVMDPCQVBZPURM-WBVHZDCISA-N 2 2 339.505 1.521 20 0 EDADLP CNS(=O)(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000621262015 450640578 /nfs/dbraw/zinc/64/05/78/450640578.db2.gz LVMDPCQVBZPURM-WBVHZDCISA-N 2 2 339.505 1.521 20 0 EDADLP CNS(=O)(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000621262015 450640583 /nfs/dbraw/zinc/64/05/83/450640583.db2.gz LVMDPCQVBZPURM-WBVHZDCISA-N 2 2 339.505 1.521 20 0 EDADLP CNS(=O)(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000621262015 450640589 /nfs/dbraw/zinc/64/05/89/450640589.db2.gz LVMDPCQVBZPURM-WBVHZDCISA-N 2 2 339.505 1.521 20 0 EDADLP c1[nH+]cn2c1c(NC1CC[NH+]([C@H]3CCOC3)CC1)nc1ccccc12 ZINC000624050599 450684932 /nfs/dbraw/zinc/68/49/32/450684932.db2.gz CDAKHBUFHSPTEL-HNNXBMFYSA-N 2 2 337.427 2.548 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000629537687 450727259 /nfs/dbraw/zinc/72/72/59/450727259.db2.gz LUJRBFWXECJKEH-NFAWXSAZSA-N 2 2 325.478 1.728 20 0 EDADLP CC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000633250007 450757167 /nfs/dbraw/zinc/75/71/67/450757167.db2.gz CYSFODWNQSEOFC-AWEZNQCLSA-N 2 2 331.464 1.927 20 0 EDADLP CC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000633250007 450757169 /nfs/dbraw/zinc/75/71/69/450757169.db2.gz CYSFODWNQSEOFC-AWEZNQCLSA-N 2 2 331.464 1.927 20 0 EDADLP C[N@H+](CCOCC[NH3+])Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000629661206 450774420 /nfs/dbraw/zinc/77/44/20/450774420.db2.gz AYHFVQXYAGAFBU-UHFFFAOYSA-N 2 2 344.246 1.981 20 0 EDADLP C[N@@H+](CCOCC[NH3+])Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000629661206 450774424 /nfs/dbraw/zinc/77/44/24/450774424.db2.gz AYHFVQXYAGAFBU-UHFFFAOYSA-N 2 2 344.246 1.981 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@@H]3COCC[N@H+]3C)C2)cc1 ZINC000633370490 450823416 /nfs/dbraw/zinc/82/34/16/450823416.db2.gz DNSAMEOATYXWPC-ZWKOTPCHSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@@H]3COCC[N@@H+]3C)C2)cc1 ZINC000633370490 450823423 /nfs/dbraw/zinc/82/34/23/450823423.db2.gz DNSAMEOATYXWPC-ZWKOTPCHSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@@H]3COCC[NH+]3C)C2)cc1 ZINC000633370490 450823427 /nfs/dbraw/zinc/82/34/27/450823427.db2.gz DNSAMEOATYXWPC-ZWKOTPCHSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@@H]3COCC[NH+]3C)C2)cc1 ZINC000633370490 450823432 /nfs/dbraw/zinc/82/34/32/450823432.db2.gz DNSAMEOATYXWPC-ZWKOTPCHSA-N 2 2 346.475 1.199 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886084 450847537 /nfs/dbraw/zinc/84/75/37/450847537.db2.gz FNDJLKMCLGPUCE-AEFFLSMTSA-N 2 2 331.460 1.775 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886084 450847539 /nfs/dbraw/zinc/84/75/39/450847539.db2.gz FNDJLKMCLGPUCE-AEFFLSMTSA-N 2 2 331.460 1.775 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783255 450867071 /nfs/dbraw/zinc/86/70/71/450867071.db2.gz ZGDUDSSJJBELRC-UWVAXJGDSA-N 2 2 342.487 1.537 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783255 450867074 /nfs/dbraw/zinc/86/70/74/450867074.db2.gz ZGDUDSSJJBELRC-UWVAXJGDSA-N 2 2 342.487 1.537 20 0 EDADLP COc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)sn1 ZINC000621804212 450871157 /nfs/dbraw/zinc/87/11/57/450871157.db2.gz DRTPNIJNHLQYNO-UHFFFAOYSA-N 2 2 338.477 1.440 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621812696 450872832 /nfs/dbraw/zinc/87/28/32/450872832.db2.gz WSVRYAMDGMOLON-HOTGVXAUSA-N 2 2 347.507 1.704 20 0 EDADLP CCN(CC[NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000626925605 451008984 /nfs/dbraw/zinc/00/89/84/451008984.db2.gz OBAGQUNZOLMLIO-KRWDZBQOSA-N 2 2 334.464 1.359 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626926230 451009518 /nfs/dbraw/zinc/00/95/18/451009518.db2.gz YSUGTOCNGHAMCE-UAGQMJEPSA-N 2 2 332.448 1.110 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1ccc(N3CCCC3)[nH+]c1)C2 ZINC000626931575 451014347 /nfs/dbraw/zinc/01/43/47/451014347.db2.gz JJFRPULVRKTOJL-KDURUIRLSA-N 2 2 343.475 1.823 20 0 EDADLP CCOc1ccc(C[C@@H](C)CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000633797129 451020857 /nfs/dbraw/zinc/02/08/57/451020857.db2.gz SQXFGJMSFPAFJX-NVXWUHKLSA-N 2 2 348.491 1.548 20 0 EDADLP CCOc1ccc(C[C@@H](C)CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000633797129 451020861 /nfs/dbraw/zinc/02/08/61/451020861.db2.gz SQXFGJMSFPAFJX-NVXWUHKLSA-N 2 2 348.491 1.548 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635500047 450994734 /nfs/dbraw/zinc/99/47/34/450994734.db2.gz CSTTYAIHUGMHGR-OAHLLOKOSA-N 2 2 344.415 1.419 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635500047 450994738 /nfs/dbraw/zinc/99/47/38/450994738.db2.gz CSTTYAIHUGMHGR-OAHLLOKOSA-N 2 2 344.415 1.419 20 0 EDADLP CC[NH+]1CCN(CCNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635556395 451054443 /nfs/dbraw/zinc/05/44/43/451054443.db2.gz PWPMABPIBVKGMC-CYBMUJFWSA-N 2 2 347.385 1.130 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632145764 451071261 /nfs/dbraw/zinc/07/12/61/451071261.db2.gz NZYKHAMWNUCUNP-CQSZACIVSA-N 2 2 326.466 1.025 20 0 EDADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635588727 451086342 /nfs/dbraw/zinc/08/63/42/451086342.db2.gz IEFSQDVBBGQMIC-HKUYNNGSSA-N 2 2 340.427 1.565 20 0 EDADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635588727 451086343 /nfs/dbraw/zinc/08/63/43/451086343.db2.gz IEFSQDVBBGQMIC-HKUYNNGSSA-N 2 2 340.427 1.565 20 0 EDADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635588727 451086345 /nfs/dbraw/zinc/08/63/45/451086345.db2.gz IEFSQDVBBGQMIC-HKUYNNGSSA-N 2 2 340.427 1.565 20 0 EDADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635588727 451086350 /nfs/dbraw/zinc/08/63/50/451086350.db2.gz IEFSQDVBBGQMIC-HKUYNNGSSA-N 2 2 340.427 1.565 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000627077450 451112836 /nfs/dbraw/zinc/11/28/36/451112836.db2.gz CJOXSVHOTFSYBR-CABCVRRESA-N 2 2 348.495 2.137 20 0 EDADLP CC1([NH+]2CCCC2)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000633944283 451119000 /nfs/dbraw/zinc/11/90/00/451119000.db2.gz FFAPLSPMOWBRTR-UHFFFAOYSA-N 2 2 335.492 1.718 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000635651096 451136356 /nfs/dbraw/zinc/13/63/56/451136356.db2.gz UBDYOKSLRXGXBG-HZPDHXFCSA-N 2 2 332.448 1.617 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000635651096 451136358 /nfs/dbraw/zinc/13/63/58/451136358.db2.gz UBDYOKSLRXGXBG-HZPDHXFCSA-N 2 2 332.448 1.617 20 0 EDADLP CC(C)C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000635684980 451168015 /nfs/dbraw/zinc/16/80/15/451168015.db2.gz BIESIEPNVUVZNH-IAGOWNOFSA-N 2 2 334.464 1.840 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622566726 451171358 /nfs/dbraw/zinc/17/13/58/451171358.db2.gz WGAQUWYXIBTKFK-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622566726 451171362 /nfs/dbraw/zinc/17/13/62/451171362.db2.gz WGAQUWYXIBTKFK-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000630419175 451178476 /nfs/dbraw/zinc/17/84/76/451178476.db2.gz PSEYRCKGIAHCJT-FUHWJXTLSA-N 2 2 341.459 1.950 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000630419175 451178478 /nfs/dbraw/zinc/17/84/78/451178478.db2.gz PSEYRCKGIAHCJT-FUHWJXTLSA-N 2 2 341.459 1.950 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC000635710685 451190679 /nfs/dbraw/zinc/19/06/79/451190679.db2.gz GASRSLBWXUXVQL-INIZCTEOSA-N 2 2 346.475 1.892 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC000635710685 451190682 /nfs/dbraw/zinc/19/06/82/451190682.db2.gz GASRSLBWXUXVQL-INIZCTEOSA-N 2 2 346.475 1.892 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635734538 451206199 /nfs/dbraw/zinc/20/61/99/451206199.db2.gz ONBYVTLZTCTBHU-NJAFHUGGSA-N 3 2 338.540 1.732 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635734538 451206201 /nfs/dbraw/zinc/20/62/01/451206201.db2.gz ONBYVTLZTCTBHU-NJAFHUGGSA-N 3 2 338.540 1.732 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000627251093 451209282 /nfs/dbraw/zinc/20/92/82/451209282.db2.gz UXDDYDRNUCZFJW-NVXWUHKLSA-N 2 2 346.475 1.663 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000627251093 451209289 /nfs/dbraw/zinc/20/92/89/451209289.db2.gz UXDDYDRNUCZFJW-NVXWUHKLSA-N 2 2 346.475 1.663 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195237 451232922 /nfs/dbraw/zinc/23/29/22/451232922.db2.gz XDGMQHAPPDRUFT-ZDUSSCGKSA-N 3 2 328.420 1.374 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c[nH+]1 ZINC000628424781 451250669 /nfs/dbraw/zinc/25/06/69/451250669.db2.gz QXFDQBXISVXATG-MRXNPFEDSA-N 2 2 337.431 1.629 20 0 EDADLP CC[NH2+][C@H](C)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000638086172 451252521 /nfs/dbraw/zinc/25/25/21/451252521.db2.gz PNXZEVPHPKWYJG-CYBMUJFWSA-N 2 2 348.447 1.019 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000638102778 451269065 /nfs/dbraw/zinc/26/90/65/451269065.db2.gz WUSFEFXXZDONRL-GWCFXTLKSA-N 2 2 334.342 1.171 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCn1cc(COc2ccccc2O)nn1 ZINC000630611765 451275559 /nfs/dbraw/zinc/27/55/59/451275559.db2.gz KDHKVECCVXLXHG-UHFFFAOYSA-N 2 2 333.436 1.446 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(COc2ccccc2O)nn1 ZINC000630611765 451275564 /nfs/dbraw/zinc/27/55/64/451275564.db2.gz KDHKVECCVXLXHG-UHFFFAOYSA-N 2 2 333.436 1.446 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000638110278 451277825 /nfs/dbraw/zinc/27/78/25/451277825.db2.gz CPULQSUAGOUQNH-QFBILLFUSA-N 2 2 342.443 1.657 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000638124206 451293337 /nfs/dbraw/zinc/29/33/37/451293337.db2.gz YTMBRRINNQKKRB-QGZVFWFLSA-N 2 2 333.432 1.018 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000638132865 451305774 /nfs/dbraw/zinc/30/57/74/451305774.db2.gz FSMKHJZWTSEEFM-GJZGRUSLSA-N 2 2 334.489 1.200 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636587459 451327259 /nfs/dbraw/zinc/32/72/59/451327259.db2.gz DMCDQRXMMXRYSL-AWEZNQCLSA-N 2 2 349.504 1.469 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)C[C@@H]21 ZINC000638164928 451331533 /nfs/dbraw/zinc/33/15/33/451331533.db2.gz JXNMBULVILVOJA-VBNZEHGJSA-N 2 2 326.400 1.777 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636618367 451355067 /nfs/dbraw/zinc/35/50/67/451355067.db2.gz CQVZGQDUKOYAHW-HOTGVXAUSA-N 2 2 327.432 1.280 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629380 451367008 /nfs/dbraw/zinc/36/70/08/451367008.db2.gz MPYFTNPYMGWEFI-HYVNUMGLSA-N 2 2 339.443 1.943 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629380 451367013 /nfs/dbraw/zinc/36/70/13/451367013.db2.gz MPYFTNPYMGWEFI-HYVNUMGLSA-N 2 2 339.443 1.943 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)CC2 ZINC000638252455 451381638 /nfs/dbraw/zinc/38/16/38/451381638.db2.gz VCRGLJHAHLXVIU-IXDOHACOSA-N 2 2 330.476 1.992 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCC[N@H+]1CCCO ZINC000635976143 451410947 /nfs/dbraw/zinc/41/09/47/451410947.db2.gz WJSYQEYQLXHJTI-QWHCGFSZSA-N 2 2 348.369 1.340 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000638297271 451411757 /nfs/dbraw/zinc/41/17/57/451411757.db2.gz KXWBLRJRBKTNHI-UXLLHSPISA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@]2(C)C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000638297271 451411762 /nfs/dbraw/zinc/41/17/62/451411762.db2.gz KXWBLRJRBKTNHI-UXLLHSPISA-N 2 2 339.386 1.205 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000638296052 451412095 /nfs/dbraw/zinc/41/20/95/451412095.db2.gz DKWROCCZVKKEEF-JLJPHGGASA-N 2 2 337.489 1.720 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)[C@@H](C)C1 ZINC000640569114 451413165 /nfs/dbraw/zinc/41/31/65/451413165.db2.gz HPOQEHGJYKGKCK-KBPBESRZSA-N 2 2 335.452 1.062 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000640614890 451461772 /nfs/dbraw/zinc/46/17/72/451461772.db2.gz GCILQMXAOBPHAS-KBPBESRZSA-N 2 2 335.452 1.062 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000640614890 451461783 /nfs/dbraw/zinc/46/17/83/451461783.db2.gz GCILQMXAOBPHAS-KBPBESRZSA-N 2 2 335.452 1.062 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700875 451473667 /nfs/dbraw/zinc/47/36/67/451473667.db2.gz GUAIZHDAEDQBPE-QUCCMNQESA-N 3 2 329.488 1.697 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700875 451473673 /nfs/dbraw/zinc/47/36/73/451473673.db2.gz GUAIZHDAEDQBPE-QUCCMNQESA-N 3 2 329.488 1.697 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2CC[NH+](C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634700875 451473677 /nfs/dbraw/zinc/47/36/77/451473677.db2.gz GUAIZHDAEDQBPE-QUCCMNQESA-N 3 2 329.488 1.697 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700875 451473683 /nfs/dbraw/zinc/47/36/83/451473683.db2.gz GUAIZHDAEDQBPE-QUCCMNQESA-N 3 2 329.488 1.697 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C2 ZINC000638383912 451476778 /nfs/dbraw/zinc/47/67/78/451476778.db2.gz OSZYIZGFBFYFRB-OBJOEFQTSA-N 2 2 330.354 1.964 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2COCC[NH+]2C)cc1)C(C)C ZINC000628921812 451486092 /nfs/dbraw/zinc/48/60/92/451486092.db2.gz MABFXKRIWIUMOF-SFHVURJKSA-N 2 2 333.476 1.977 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2COCC[NH+]2C)cc1)C(C)C ZINC000628921812 451486097 /nfs/dbraw/zinc/48/60/97/451486097.db2.gz MABFXKRIWIUMOF-SFHVURJKSA-N 2 2 333.476 1.977 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1)C(C)C ZINC000628921812 451486100 /nfs/dbraw/zinc/48/61/00/451486100.db2.gz MABFXKRIWIUMOF-SFHVURJKSA-N 2 2 333.476 1.977 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1)C(C)C ZINC000628921812 451486104 /nfs/dbraw/zinc/48/61/04/451486104.db2.gz MABFXKRIWIUMOF-SFHVURJKSA-N 2 2 333.476 1.977 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640600662 451446791 /nfs/dbraw/zinc/44/67/91/451446791.db2.gz RHZYUPYSGVUMAE-ZFWWWQNUSA-N 2 2 333.436 1.475 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631040157 451547352 /nfs/dbraw/zinc/54/73/52/451547352.db2.gz HCZCHSNFPOMZBO-KRWDZBQOSA-N 3 2 344.459 1.772 20 0 EDADLP C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631040157 451547357 /nfs/dbraw/zinc/54/73/57/451547357.db2.gz HCZCHSNFPOMZBO-KRWDZBQOSA-N 2 2 344.459 1.772 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634743680 451520708 /nfs/dbraw/zinc/52/07/08/451520708.db2.gz AQBAZAABJKVGHU-HDICACEKSA-N 2 2 332.444 1.476 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634743680 451520713 /nfs/dbraw/zinc/52/07/13/451520713.db2.gz AQBAZAABJKVGHU-HDICACEKSA-N 2 2 332.444 1.476 20 0 EDADLP CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631070962 451567763 /nfs/dbraw/zinc/56/77/63/451567763.db2.gz IODYNZQGGMVFMQ-APWZRJJASA-N 2 2 336.476 1.894 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cc2[nH+]1 ZINC000636207142 451582709 /nfs/dbraw/zinc/58/27/09/451582709.db2.gz DDODLZXRUUOMTJ-UHFFFAOYSA-N 2 2 328.416 1.580 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000632829343 451602265 /nfs/dbraw/zinc/60/22/65/451602265.db2.gz FMJKRYTVFROZED-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)n1cc[nH+]c1 ZINC000636228237 451605618 /nfs/dbraw/zinc/60/56/18/451605618.db2.gz DXVCSNFXJZUQPZ-DLBZAZTESA-N 2 2 334.464 1.528 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)n1cc[nH+]c1 ZINC000636228237 451605623 /nfs/dbraw/zinc/60/56/23/451605623.db2.gz DXVCSNFXJZUQPZ-DLBZAZTESA-N 2 2 334.464 1.528 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCNC(=O)CC3)[nH+]c2)CC1 ZINC000634969006 451628640 /nfs/dbraw/zinc/62/86/40/451628640.db2.gz CHDGKMMHTSBSIR-AWEZNQCLSA-N 2 2 331.464 1.693 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000634984974 451636961 /nfs/dbraw/zinc/63/69/61/451636961.db2.gz HTNLYOZAEWBESF-GOSISDBHSA-N 2 2 333.476 1.502 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000634984974 451636965 /nfs/dbraw/zinc/63/69/65/451636965.db2.gz HTNLYOZAEWBESF-GOSISDBHSA-N 2 2 333.476 1.502 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)cc2)C[C@@H](C)O1 ZINC000634996017 451642054 /nfs/dbraw/zinc/64/20/54/451642054.db2.gz WPOZHBKNMGDCJD-LVGGZARRSA-N 2 2 343.471 1.778 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636295762 451665900 /nfs/dbraw/zinc/66/59/00/451665900.db2.gz XPILUWUAQFFJNX-UHFFFAOYSA-N 2 2 327.432 1.135 20 0 EDADLP Cc1nc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000631244737 451659082 /nfs/dbraw/zinc/65/90/82/451659082.db2.gz CYQKOCDDBCEWME-CQSZACIVSA-N 2 2 330.461 1.214 20 0 EDADLP Cc1nc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000631244737 451659085 /nfs/dbraw/zinc/65/90/85/451659085.db2.gz CYQKOCDDBCEWME-CQSZACIVSA-N 2 2 330.461 1.214 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000631274684 451674542 /nfs/dbraw/zinc/67/45/42/451674542.db2.gz SOFNRAHBHITCNV-CVEARBPZSA-N 2 2 333.480 2.296 20 0 EDADLP C[NH+]1CCN(c2ccnc(NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)c2)CC1 ZINC000636313389 451675258 /nfs/dbraw/zinc/67/52/58/451675258.db2.gz UJZDCUXAYCGVGE-KRWDZBQOSA-N 2 2 343.475 1.789 20 0 EDADLP C[NH+]1CCN(c2ccnc(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)c2)CC1 ZINC000636313389 451675264 /nfs/dbraw/zinc/67/52/64/451675264.db2.gz UJZDCUXAYCGVGE-KRWDZBQOSA-N 2 2 343.475 1.789 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)c2)CC1 ZINC000636313389 451675268 /nfs/dbraw/zinc/67/52/68/451675268.db2.gz UJZDCUXAYCGVGE-KRWDZBQOSA-N 3 2 343.475 1.789 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)c2)CC1 ZINC000636313389 451675270 /nfs/dbraw/zinc/67/52/70/451675270.db2.gz UJZDCUXAYCGVGE-KRWDZBQOSA-N 3 2 343.475 1.789 20 0 EDADLP Cc1nc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c2c([nH+]1)CCCC2 ZINC000631306704 451688704 /nfs/dbraw/zinc/68/87/04/451688704.db2.gz GCUBOGKJBCTUCZ-QGZVFWFLSA-N 2 2 343.475 1.771 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccn12 ZINC000638786127 451691681 /nfs/dbraw/zinc/69/16/81/451691681.db2.gz JUGXCMACTFCMKR-QGZVFWFLSA-N 2 2 342.443 1.873 20 0 EDADLP [NH3+][C@H](c1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nn1)C1CCOCC1 ZINC000640880276 451669421 /nfs/dbraw/zinc/66/94/21/451669421.db2.gz JWTZMURVJSLYNV-SFHVURJKSA-N 2 2 338.415 1.939 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@H]([NH3+])C[C@H]1C)CC2 ZINC000638933828 451739470 /nfs/dbraw/zinc/73/94/70/451739470.db2.gz ZFXLFTIBMMLQHA-IUODEOHRSA-N 2 2 333.432 1.010 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@H]([NH3+])C[C@H]1C)CC2 ZINC000638933828 451739473 /nfs/dbraw/zinc/73/94/73/451739473.db2.gz ZFXLFTIBMMLQHA-IUODEOHRSA-N 2 2 333.432 1.010 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)CC2 ZINC000638933830 451739538 /nfs/dbraw/zinc/73/95/38/451739538.db2.gz ZFXLFTIBMMLQHA-WFASDCNBSA-N 2 2 333.432 1.010 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)CC2 ZINC000638933830 451739540 /nfs/dbraw/zinc/73/95/40/451739540.db2.gz ZFXLFTIBMMLQHA-WFASDCNBSA-N 2 2 333.432 1.010 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1Cc1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000641130011 451757744 /nfs/dbraw/zinc/75/77/44/451757744.db2.gz NBWVIBQAWHPNNG-KRWDZBQOSA-N 2 2 338.415 1.469 20 0 EDADLP OC[C@@H]1CCC[N@H+]1Cc1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000641130011 451757745 /nfs/dbraw/zinc/75/77/45/451757745.db2.gz NBWVIBQAWHPNNG-KRWDZBQOSA-N 2 2 338.415 1.469 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H](CNCc1c[nH+]c(N)nc1N)C1CC1 ZINC000639061664 451760423 /nfs/dbraw/zinc/76/04/23/451760423.db2.gz PZTUPIXAJDAGOS-INIZCTEOSA-N 2 2 326.448 1.302 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H](CNCc1c[nH+]c(N)nc1N)C1CC1 ZINC000639061664 451760426 /nfs/dbraw/zinc/76/04/26/451760426.db2.gz PZTUPIXAJDAGOS-INIZCTEOSA-N 2 2 326.448 1.302 20 0 EDADLP C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639127326 451772849 /nfs/dbraw/zinc/77/28/49/451772849.db2.gz PRENIHIOONQRTF-LJQANCHMSA-N 2 2 347.459 1.095 20 0 EDADLP C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639127326 451772850 /nfs/dbraw/zinc/77/28/50/451772850.db2.gz PRENIHIOONQRTF-LJQANCHMSA-N 2 2 347.459 1.095 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCc3cnn(C)c3)c2cc1C ZINC000644523704 451839637 /nfs/dbraw/zinc/83/96/37/451839637.db2.gz VLZXMJPMSGORJS-INIZCTEOSA-N 2 2 327.432 1.580 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(=O)c1cccs1 ZINC000644523921 451840193 /nfs/dbraw/zinc/84/01/93/451840193.db2.gz AQWDBLJRACEHMG-MRXNPFEDSA-N 2 2 347.484 1.560 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(=O)c1cccs1 ZINC000644523921 451840198 /nfs/dbraw/zinc/84/01/98/451840198.db2.gz AQWDBLJRACEHMG-MRXNPFEDSA-N 2 2 347.484 1.560 20 0 EDADLP CC[NH+]1CCN(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000637415734 451846182 /nfs/dbraw/zinc/84/61/82/451846182.db2.gz YALIPJJYNHFMKC-UHFFFAOYSA-N 2 2 334.468 1.667 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000639491399 451900580 /nfs/dbraw/zinc/90/05/80/451900580.db2.gz ANDFHZAHDJZOAD-KRWDZBQOSA-N 2 2 340.427 1.893 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000639491399 451900589 /nfs/dbraw/zinc/90/05/89/451900589.db2.gz ANDFHZAHDJZOAD-KRWDZBQOSA-N 2 2 340.427 1.893 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000646916186 451933323 /nfs/dbraw/zinc/93/33/23/451933323.db2.gz CJMUPIYMHLOCTC-OKZBNKHCSA-N 2 2 345.512 1.939 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000646916186 451933331 /nfs/dbraw/zinc/93/33/31/451933331.db2.gz CJMUPIYMHLOCTC-OKZBNKHCSA-N 2 2 345.512 1.939 20 0 EDADLP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C)n1 ZINC000639546384 451936971 /nfs/dbraw/zinc/93/69/71/451936971.db2.gz NHFLJQWJOKUIED-SFHVURJKSA-N 2 2 330.476 1.921 20 0 EDADLP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C)n1 ZINC000639546384 451936979 /nfs/dbraw/zinc/93/69/79/451936979.db2.gz NHFLJQWJOKUIED-SFHVURJKSA-N 2 2 330.476 1.921 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000649279782 451950764 /nfs/dbraw/zinc/95/07/64/451950764.db2.gz VTHYLNCMNOYFFS-FUHWJXTLSA-N 2 2 331.460 1.585 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649281026 451952963 /nfs/dbraw/zinc/95/29/63/451952963.db2.gz BAVLEEIVTKTNFT-OIISXLGYSA-N 2 2 329.444 1.398 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])[NH+]2CCOCC2)c1 ZINC000649292638 451969766 /nfs/dbraw/zinc/96/97/66/451969766.db2.gz VAIVPCQRORFDJP-QYZOEREBSA-N 2 2 345.487 1.860 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)CN2CCCC[C@@H]([NH3+])C2=O)c1 ZINC000649299438 451976526 /nfs/dbraw/zinc/97/65/26/451976526.db2.gz VNDGOBFNZCBGSZ-OAHLLOKOSA-N 2 2 341.415 1.365 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC000639622302 451980224 /nfs/dbraw/zinc/98/02/24/451980224.db2.gz ZVRMTXDHKFVTQG-MISYRCLQSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC000639622302 451980227 /nfs/dbraw/zinc/98/02/27/451980227.db2.gz ZVRMTXDHKFVTQG-MISYRCLQSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC000639622302 451980230 /nfs/dbraw/zinc/98/02/30/451980230.db2.gz ZVRMTXDHKFVTQG-MISYRCLQSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC000639622302 451980232 /nfs/dbraw/zinc/98/02/32/451980232.db2.gz ZVRMTXDHKFVTQG-MISYRCLQSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000649305015 451981325 /nfs/dbraw/zinc/98/13/25/451981325.db2.gz WYFOFNYCRLOXSO-ZDUSSCGKSA-N 2 2 330.432 1.153 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644820282 452012157 /nfs/dbraw/zinc/01/21/57/452012157.db2.gz VEYLEWXLDKJAPU-MEDUHNTESA-N 2 2 334.370 1.785 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644820282 452012164 /nfs/dbraw/zinc/01/21/64/452012164.db2.gz VEYLEWXLDKJAPU-MEDUHNTESA-N 2 2 334.370 1.785 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)COC1(C)C[NH2+]C1)c1c(F)cccc1F ZINC000649336268 452016190 /nfs/dbraw/zinc/01/61/90/452016190.db2.gz OVFDLQMKEBNWJT-ZDUSSCGKSA-N 2 2 327.375 1.062 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2cnccc2o1 ZINC000651694392 452018690 /nfs/dbraw/zinc/01/86/90/452018690.db2.gz BLHVSHNNORGJAA-MRXNPFEDSA-N 2 2 330.432 1.860 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2cnccc2o1 ZINC000651694392 452018697 /nfs/dbraw/zinc/01/86/97/452018697.db2.gz BLHVSHNNORGJAA-MRXNPFEDSA-N 2 2 330.432 1.860 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000649410051 452073755 /nfs/dbraw/zinc/07/37/55/452073755.db2.gz KCQCKLXIVIBCLP-UHFFFAOYSA-N 3 2 336.505 1.455 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000649410051 452073761 /nfs/dbraw/zinc/07/37/61/452073761.db2.gz KCQCKLXIVIBCLP-UHFFFAOYSA-N 3 2 336.505 1.455 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(C)([NH3+])CC1 ZINC000649416150 452077482 /nfs/dbraw/zinc/07/74/82/452077482.db2.gz SWKHVYOURYICJI-OAHLLOKOSA-N 2 2 348.466 1.676 20 0 EDADLP CC[N@H+]1[C@H](C)CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C ZINC000639741615 452086068 /nfs/dbraw/zinc/08/60/68/452086068.db2.gz ALTDQNFRPKECFS-CALCHBBNSA-N 2 2 348.491 1.338 20 0 EDADLP CC[N@@H+]1[C@H](C)CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C ZINC000639741615 452086073 /nfs/dbraw/zinc/08/60/73/452086073.db2.gz ALTDQNFRPKECFS-CALCHBBNSA-N 2 2 348.491 1.338 20 0 EDADLP COc1ccc2c(CC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])coc2c1C ZINC000637864138 452120769 /nfs/dbraw/zinc/12/07/69/452120769.db2.gz NACHOBPQIYDERB-CQSZACIVSA-N 2 2 331.416 1.394 20 0 EDADLP COc1ccc2c(CC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])coc2c1C ZINC000637864138 452120773 /nfs/dbraw/zinc/12/07/73/452120773.db2.gz NACHOBPQIYDERB-CQSZACIVSA-N 2 2 331.416 1.394 20 0 EDADLP O=S1(=O)C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)Oc2ccccc21 ZINC000647223622 452135157 /nfs/dbraw/zinc/13/51/57/452135157.db2.gz HAVTXOMGSNDFGG-KFWWJZLASA-N 2 2 336.457 1.438 20 0 EDADLP O=S1(=O)C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)Oc2ccccc21 ZINC000647223622 452135159 /nfs/dbraw/zinc/13/51/59/452135159.db2.gz HAVTXOMGSNDFGG-KFWWJZLASA-N 2 2 336.457 1.438 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(O)cc3O)CC2)CC1 ZINC000643362385 452149887 /nfs/dbraw/zinc/14/98/87/452149887.db2.gz ABVFBZPMTIKAET-UHFFFAOYSA-N 2 2 347.459 1.730 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(O)cc3O)CC2)CC1 ZINC000643362385 452149892 /nfs/dbraw/zinc/14/98/92/452149892.db2.gz ABVFBZPMTIKAET-UHFFFAOYSA-N 2 2 347.459 1.730 20 0 EDADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000647343660 452182061 /nfs/dbraw/zinc/18/20/61/452182061.db2.gz ZNCWRNQVMNWZPY-HDICACEKSA-N 2 2 339.524 1.719 20 0 EDADLP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000647343660 452182071 /nfs/dbraw/zinc/18/20/71/452182071.db2.gz ZNCWRNQVMNWZPY-HDICACEKSA-N 2 2 339.524 1.719 20 0 EDADLP CCCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@H+](C)C1 ZINC000645176825 452194244 /nfs/dbraw/zinc/19/42/44/452194244.db2.gz STYYKERQAOHRFL-MRXNPFEDSA-N 2 2 333.480 1.888 20 0 EDADLP CCCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@@H+](C)C1 ZINC000645176825 452194248 /nfs/dbraw/zinc/19/42/48/452194248.db2.gz STYYKERQAOHRFL-MRXNPFEDSA-N 2 2 333.480 1.888 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000645222677 452218957 /nfs/dbraw/zinc/21/89/57/452218957.db2.gz ZEOYXSPHOLCHRY-KRWDZBQOSA-N 2 2 347.459 1.026 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000641748958 452234484 /nfs/dbraw/zinc/23/44/84/452234484.db2.gz QTRPTRUNMCUILO-GJZGRUSLSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000641748958 452234490 /nfs/dbraw/zinc/23/44/90/452234490.db2.gz QTRPTRUNMCUILO-GJZGRUSLSA-N 2 2 340.512 1.610 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NCc3[nH]cc(C)[nH+]3)c2)CC1 ZINC000657444300 452252315 /nfs/dbraw/zinc/25/23/15/452252315.db2.gz ZIUOXPPIEPCZBZ-UHFFFAOYSA-N 2 2 327.432 1.994 20 0 EDADLP CCCC[C@@H](COC)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786620 452260557 /nfs/dbraw/zinc/26/05/57/452260557.db2.gz LWFMFFXXPKQNKY-MSOLQXFVSA-N 2 2 327.513 1.578 20 0 EDADLP COC1([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000641788052 452263362 /nfs/dbraw/zinc/26/33/62/452263362.db2.gz XSXYDHWFFJNHJB-ROUUACIJSA-N 2 2 339.524 1.720 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641789152 452265597 /nfs/dbraw/zinc/26/55/97/452265597.db2.gz ZKLGYBVHJGHJBE-FUHWJXTLSA-N 2 2 325.497 1.188 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)[C@H](C)C1 ZINC000641788916 452267123 /nfs/dbraw/zinc/26/71/23/452267123.db2.gz WEZKADDFADNESR-QYZOEREBSA-N 3 2 338.540 1.103 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000652084462 452273830 /nfs/dbraw/zinc/27/38/30/452273830.db2.gz NOKOPOZVISSDDI-JSGCOSHPSA-N 2 2 336.480 1.324 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)NCC12CC(C1)C[NH2+]2 ZINC000659433644 452279002 /nfs/dbraw/zinc/27/90/02/452279002.db2.gz AZNXDYICWWLUME-URSIVYNOSA-N 2 2 344.459 1.111 20 0 EDADLP Cn1nc2c(c1C[NH+]1CCN(C[C@H]3CCCC[N@@H+]3C)CC1)CCCC2 ZINC000638033332 452285573 /nfs/dbraw/zinc/28/55/73/452285573.db2.gz CYFQAQPGJXREEO-QGZVFWFLSA-N 2 2 345.535 1.901 20 0 EDADLP Cn1nc2c(c1C[NH+]1CCN(C[C@H]3CCCC[N@H+]3C)CC1)CCCC2 ZINC000638033332 452285582 /nfs/dbraw/zinc/28/55/82/452285582.db2.gz CYFQAQPGJXREEO-QGZVFWFLSA-N 2 2 345.535 1.901 20 0 EDADLP CN(C(=O)c1cc(C(F)F)n[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639960761 452287052 /nfs/dbraw/zinc/28/70/52/452287052.db2.gz DBHRLGGNLKNABF-GFCCVEGCSA-N 2 2 341.406 1.588 20 0 EDADLP CN(C(=O)c1cc(C(F)F)n[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639960761 452287055 /nfs/dbraw/zinc/28/70/55/452287055.db2.gz DBHRLGGNLKNABF-GFCCVEGCSA-N 2 2 341.406 1.588 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)cc2[nH+]1 ZINC000657524682 452311199 /nfs/dbraw/zinc/31/11/99/452311199.db2.gz NEJLBWMTUQQHSM-ZDUSSCGKSA-N 2 2 343.431 1.572 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000657526122 452312365 /nfs/dbraw/zinc/31/23/65/452312365.db2.gz AHHUDHXBRWBBEP-GFCCVEGCSA-N 2 2 345.896 1.950 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000657526122 452312375 /nfs/dbraw/zinc/31/23/75/452312375.db2.gz AHHUDHXBRWBBEP-GFCCVEGCSA-N 2 2 345.896 1.950 20 0 EDADLP [NH3+][C@@H]1CC=C(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000638054690 452337153 /nfs/dbraw/zinc/33/71/53/452337153.db2.gz HOVGJLPKCNDPAJ-OAHLLOKOSA-N 2 2 342.443 1.253 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCCCCn3cc[nH+]c3)cc2n1 ZINC000657580744 452349294 /nfs/dbraw/zinc/34/92/94/452349294.db2.gz SBFDHOAKYNVQAR-UHFFFAOYSA-N 2 2 340.387 1.374 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCCCCn3cc[nH+]c3)cc2[nH+]1 ZINC000657580744 452349302 /nfs/dbraw/zinc/34/93/02/452349302.db2.gz SBFDHOAKYNVQAR-UHFFFAOYSA-N 2 2 340.387 1.374 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657588515 452357073 /nfs/dbraw/zinc/35/70/73/452357073.db2.gz JCOFTSWVKZOESD-GFCCVEGCSA-N 2 2 331.420 1.428 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000663626940 452365565 /nfs/dbraw/zinc/36/55/65/452365565.db2.gz AQBYELANFVZNLB-YYIAUSFCSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000663626940 452365572 /nfs/dbraw/zinc/36/55/72/452365572.db2.gz AQBYELANFVZNLB-YYIAUSFCSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000663626940 452365577 /nfs/dbraw/zinc/36/55/77/452365577.db2.gz AQBYELANFVZNLB-YYIAUSFCSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000663626940 452365583 /nfs/dbraw/zinc/36/55/83/452365583.db2.gz AQBYELANFVZNLB-YYIAUSFCSA-N 2 2 340.512 1.658 20 0 EDADLP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](c3cccs3)c3nnc[nH]3)C2)CC1 ZINC000645408768 452381167 /nfs/dbraw/zinc/38/11/67/452381167.db2.gz CXAFDDIIILVGHJ-BBRMVZONSA-N 2 2 346.504 1.714 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000638080522 452395084 /nfs/dbraw/zinc/39/50/84/452395084.db2.gz PBBHFRKYASQIQK-KRWDZBQOSA-N 2 2 345.468 1.931 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000638080522 452395095 /nfs/dbraw/zinc/39/50/95/452395095.db2.gz PBBHFRKYASQIQK-KRWDZBQOSA-N 2 2 345.468 1.931 20 0 EDADLP [NH3+]Cc1ncc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cn1 ZINC000638079374 452396652 /nfs/dbraw/zinc/39/66/52/452396652.db2.gz TZEDFIITWUSYFW-UHFFFAOYSA-N 2 2 341.415 1.062 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652241706 452427163 /nfs/dbraw/zinc/42/71/63/452427163.db2.gz XEFWJHJNXXXTRP-OAHLLOKOSA-N 2 2 331.464 1.599 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000654381513 452433430 /nfs/dbraw/zinc/43/34/30/452433430.db2.gz ODTFMVWEQYQAIH-FZNQNYSPSA-N 2 2 331.464 1.690 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654389341 452442424 /nfs/dbraw/zinc/44/24/24/452442424.db2.gz QXFJSYBWLCRLJB-SOUVJXGZSA-N 2 2 337.468 1.379 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654389341 452442433 /nfs/dbraw/zinc/44/24/33/452442433.db2.gz QXFJSYBWLCRLJB-SOUVJXGZSA-N 2 2 337.468 1.379 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000655633841 452457608 /nfs/dbraw/zinc/45/76/08/452457608.db2.gz AQEXDDRAHJSGQQ-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000655633841 452457618 /nfs/dbraw/zinc/45/76/18/452457618.db2.gz AQEXDDRAHJSGQQ-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@@]3(O)CC[N@H+](C)C3)ccc21 ZINC000640174560 452487493 /nfs/dbraw/zinc/48/74/93/452487493.db2.gz NYABSIGJJVEJLG-SFHVURJKSA-N 2 2 343.431 1.489 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)ccc21 ZINC000640174560 452487500 /nfs/dbraw/zinc/48/75/00/452487500.db2.gz NYABSIGJJVEJLG-SFHVURJKSA-N 2 2 343.431 1.489 20 0 EDADLP C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CS1 ZINC000655686950 452510035 /nfs/dbraw/zinc/51/00/35/452510035.db2.gz FSIOVXYAPLZXNM-CVEARBPZSA-N 2 2 335.521 1.862 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000652340679 452510847 /nfs/dbraw/zinc/51/08/47/452510847.db2.gz DEFNSCINJMKPLK-WMLDXEAASA-N 2 2 335.473 1.311 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000652340679 452510854 /nfs/dbraw/zinc/51/08/54/452510854.db2.gz DEFNSCINJMKPLK-WMLDXEAASA-N 2 2 335.473 1.311 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000663787993 452517587 /nfs/dbraw/zinc/51/75/87/452517587.db2.gz NCUMQFFQWLVCHA-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000663787993 452517596 /nfs/dbraw/zinc/51/75/96/452517596.db2.gz NCUMQFFQWLVCHA-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000663787993 452517604 /nfs/dbraw/zinc/51/76/04/452517604.db2.gz NCUMQFFQWLVCHA-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000663787993 452517614 /nfs/dbraw/zinc/51/76/14/452517614.db2.gz NCUMQFFQWLVCHA-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cc2[nH+]1 ZINC000657778136 452523802 /nfs/dbraw/zinc/52/38/02/452523802.db2.gz LEYTVXGFLSSMQN-HIFRSBDPSA-N 2 2 341.415 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)cc2[nH+]1 ZINC000657778136 452523804 /nfs/dbraw/zinc/52/38/04/452523804.db2.gz LEYTVXGFLSSMQN-HIFRSBDPSA-N 2 2 341.415 1.134 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCc2ncn(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000647800592 452530923 /nfs/dbraw/zinc/53/09/23/452530923.db2.gz GMTMNDCHMNLKNH-AEFFLSMTSA-N 2 2 329.448 1.839 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357221 452534491 /nfs/dbraw/zinc/53/44/91/452534491.db2.gz CCYQPPSLFWBOMI-OIPACUDHSA-N 2 2 349.475 1.557 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357221 452534500 /nfs/dbraw/zinc/53/45/00/452534500.db2.gz CCYQPPSLFWBOMI-OIPACUDHSA-N 2 2 349.475 1.557 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2cccs2)C[C@H]1C[NH3+] ZINC000652357949 452537836 /nfs/dbraw/zinc/53/78/36/452537836.db2.gz QVULISVLMYWXAV-GZBFAFLISA-N 2 2 325.478 1.091 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCc2cccs2)C[C@H]1C[NH3+] ZINC000652357949 452537848 /nfs/dbraw/zinc/53/78/48/452537848.db2.gz QVULISVLMYWXAV-GZBFAFLISA-N 2 2 325.478 1.091 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000647835964 452573357 /nfs/dbraw/zinc/57/33/57/452573357.db2.gz WLNBWYZYBWTFTC-UHFFFAOYSA-N 2 2 341.415 1.419 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000647835964 452573364 /nfs/dbraw/zinc/57/33/64/452573364.db2.gz WLNBWYZYBWTFTC-UHFFFAOYSA-N 2 2 341.415 1.419 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(CCc2ccccc2)no1 ZINC000647835850 452574505 /nfs/dbraw/zinc/57/45/05/452574505.db2.gz RMHCWKXGASRSLI-UHFFFAOYSA-N 2 2 329.448 1.192 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(CCc2ccccc2)no1 ZINC000647835850 452574510 /nfs/dbraw/zinc/57/45/10/452574510.db2.gz RMHCWKXGASRSLI-UHFFFAOYSA-N 2 2 329.448 1.192 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CCO1 ZINC000647863159 452599362 /nfs/dbraw/zinc/59/93/62/452599362.db2.gz XSUKMSARAYJMOY-HZMBPMFUSA-N 2 2 329.803 1.856 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)CCO1 ZINC000647863159 452599370 /nfs/dbraw/zinc/59/93/70/452599370.db2.gz XSUKMSARAYJMOY-HZMBPMFUSA-N 2 2 329.803 1.856 20 0 EDADLP Cc1cccn2cc(CN3CC[NH+]([C@@H]4CCNC(=O)CC4)CC3)[nH+]c12 ZINC000650222032 452611115 /nfs/dbraw/zinc/61/11/15/452611115.db2.gz PXBLKQJMSALOIN-KRWDZBQOSA-N 2 2 341.459 1.429 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000663896445 452623301 /nfs/dbraw/zinc/62/33/01/452623301.db2.gz IGXQMLCLNRPARA-GOSISDBHSA-N 2 2 332.492 1.727 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2ccccc2C1 ZINC000663896445 452623310 /nfs/dbraw/zinc/62/33/10/452623310.db2.gz IGXQMLCLNRPARA-GOSISDBHSA-N 2 2 332.492 1.727 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(c3nc4c(cnn4C(C)(C)C)c(N)[nH+]3)C2)C1 ZINC000663936093 452657484 /nfs/dbraw/zinc/65/74/84/452657484.db2.gz PEMXFAHGYFLNPX-KRWDZBQOSA-N 2 2 329.452 1.696 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(c3nc4c(cnn4C(C)(C)C)c(N)[nH+]3)C2)C1 ZINC000663936093 452657492 /nfs/dbraw/zinc/65/74/92/452657492.db2.gz PEMXFAHGYFLNPX-KRWDZBQOSA-N 2 2 329.452 1.696 20 0 EDADLP CN1c2ccccc2C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000658107138 452728251 /nfs/dbraw/zinc/72/82/51/452728251.db2.gz KOSVORKGOBZKEN-ROUUACIJSA-N 2 2 343.471 1.807 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H]4C[C@H]4C3)CC2)c1 ZINC000661977446 452729642 /nfs/dbraw/zinc/72/96/42/452729642.db2.gz YUQHICDWKJWBAL-OALUTQOASA-N 2 2 327.472 1.981 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H]4C[C@H]4C3)CC2)c1 ZINC000661977446 452729648 /nfs/dbraw/zinc/72/96/48/452729648.db2.gz YUQHICDWKJWBAL-OALUTQOASA-N 2 2 327.472 1.981 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)[C@@H]2C1 ZINC000664036548 452734188 /nfs/dbraw/zinc/73/41/88/452734188.db2.gz QPPJJHHIENIIIW-LSDHHAIUSA-N 2 2 331.464 1.358 20 0 EDADLP CSc1nsc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000666288043 452746153 /nfs/dbraw/zinc/74/61/53/452746153.db2.gz UTLRVQTWASTFDE-UHFFFAOYSA-N 2 2 332.499 1.265 20 0 EDADLP CSc1nsc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000666288043 452746162 /nfs/dbraw/zinc/74/61/62/452746162.db2.gz UTLRVQTWASTFDE-UHFFFAOYSA-N 2 2 332.499 1.265 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000643882740 452789958 /nfs/dbraw/zinc/78/99/58/452789958.db2.gz YQZGJZWFJZNXEU-MRXNPFEDSA-N 2 2 344.484 1.791 20 0 EDADLP C[C@H]1CCC[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)O1 ZINC000658217555 452792681 /nfs/dbraw/zinc/79/26/81/452792681.db2.gz FPFWWJTYBTVOJW-FUHWJXTLSA-N 2 2 325.497 1.330 20 0 EDADLP C[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)O1 ZINC000658217555 452792695 /nfs/dbraw/zinc/79/26/95/452792695.db2.gz FPFWWJTYBTVOJW-FUHWJXTLSA-N 2 2 325.497 1.330 20 0 EDADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1[nH+]ccn1C ZINC000662091923 452836286 /nfs/dbraw/zinc/83/62/86/452836286.db2.gz DRDFGNCKXOVTHA-CQSZACIVSA-N 2 2 335.452 1.235 20 0 EDADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000654724332 452839658 /nfs/dbraw/zinc/83/96/58/452839658.db2.gz CEDOBGDAIXZCGX-IRXDYDNUSA-N 2 2 343.475 1.930 20 0 EDADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000654724332 452839666 /nfs/dbraw/zinc/83/96/66/452839666.db2.gz CEDOBGDAIXZCGX-IRXDYDNUSA-N 2 2 343.475 1.930 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000648172582 452883182 /nfs/dbraw/zinc/88/31/82/452883182.db2.gz INNKUAOPTXCOAC-KBPBESRZSA-N 2 2 340.443 1.838 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000648172582 452883191 /nfs/dbraw/zinc/88/31/91/452883191.db2.gz INNKUAOPTXCOAC-KBPBESRZSA-N 2 2 340.443 1.838 20 0 EDADLP C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)CC2 ZINC000648172600 452884325 /nfs/dbraw/zinc/88/43/25/452884325.db2.gz JFXRDZLWQUXYJE-KBXIAJHMSA-N 2 2 346.500 1.706 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)[C@@H]1C[C@H]3C[C@H]3[NH2+]1)CC2 ZINC000648172600 452884336 /nfs/dbraw/zinc/88/43/36/452884336.db2.gz JFXRDZLWQUXYJE-KBXIAJHMSA-N 2 2 346.500 1.706 20 0 EDADLP CCO[C@H]1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000664215054 452888540 /nfs/dbraw/zinc/88/85/40/452888540.db2.gz HTGPVVRQTKPRMX-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CCO[C@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000664215054 452888547 /nfs/dbraw/zinc/88/85/47/452888547.db2.gz HTGPVVRQTKPRMX-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662161364 452901311 /nfs/dbraw/zinc/90/13/11/452901311.db2.gz SNAIONQOSGVHDQ-ZWKOTPCHSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662161364 452901315 /nfs/dbraw/zinc/90/13/15/452901315.db2.gz SNAIONQOSGVHDQ-ZWKOTPCHSA-N 2 2 334.460 1.266 20 0 EDADLP Clc1ccccc1OCC[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662261535 452990140 /nfs/dbraw/zinc/99/01/40/452990140.db2.gz ZPOCIRPXZPLSKU-HNNXBMFYSA-N 2 2 339.867 1.325 20 0 EDADLP COc1ccc(Cl)cc1C[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662260571 452991102 /nfs/dbraw/zinc/99/11/02/452991102.db2.gz MSDYRCKICTYMAL-INIZCTEOSA-N 2 2 339.867 1.455 20 0 EDADLP Fc1ccc(OC(F)F)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000662274047 453001542 /nfs/dbraw/zinc/00/15/42/453001542.db2.gz SQGFNZOZULZPJD-AWEZNQCLSA-N 2 2 329.366 1.907 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000662279593 453004603 /nfs/dbraw/zinc/00/46/03/453004603.db2.gz AGJRTFNOKNKWAM-KDOFPFPSSA-N 2 2 340.427 1.973 20 0 EDADLP O=C1N[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000662283056 453006456 /nfs/dbraw/zinc/00/64/56/453006456.db2.gz ZVNPXZKVYRVZJG-IAGOWNOFSA-N 2 2 345.447 1.272 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000662283056 453006467 /nfs/dbraw/zinc/00/64/67/453006467.db2.gz ZVNPXZKVYRVZJG-IAGOWNOFSA-N 2 2 345.447 1.272 20 0 EDADLP C[C@@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccccc1Cl ZINC000662285410 453008785 /nfs/dbraw/zinc/00/87/85/453008785.db2.gz HDXFEYQTUHIVIP-GFCCVEGCSA-N 2 2 325.840 1.221 20 0 EDADLP COC1CCC(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000664334796 453010181 /nfs/dbraw/zinc/01/01/81/453010181.db2.gz NIWHQKKXISSVGC-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP COC1CCC(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664334796 453010182 /nfs/dbraw/zinc/01/01/82/453010182.db2.gz NIWHQKKXISSVGC-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000662325381 453042249 /nfs/dbraw/zinc/04/22/49/453042249.db2.gz MKNMHKQGBSLSLL-OAHLLOKOSA-N 2 2 344.459 1.921 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000662325381 453042252 /nfs/dbraw/zinc/04/22/52/453042252.db2.gz MKNMHKQGBSLSLL-OAHLLOKOSA-N 2 2 344.459 1.921 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000658521173 453073506 /nfs/dbraw/zinc/07/35/06/453073506.db2.gz BRVBEFPNRSFDRD-HNNXBMFYSA-N 2 2 347.463 1.036 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000658521173 453073513 /nfs/dbraw/zinc/07/35/13/453073513.db2.gz BRVBEFPNRSFDRD-HNNXBMFYSA-N 2 2 347.463 1.036 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1(C)C ZINC000646138155 453149197 /nfs/dbraw/zinc/14/91/97/453149197.db2.gz DFHXDOALNJVILB-DNVCBOLYSA-N 2 2 344.459 1.834 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@H](C)CO1 ZINC000664520787 453161064 /nfs/dbraw/zinc/16/10/64/453161064.db2.gz POJBPHRQZOVNBZ-BZUAXINKSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@H](C)CO1 ZINC000664520787 453161075 /nfs/dbraw/zinc/16/10/75/453161075.db2.gz POJBPHRQZOVNBZ-BZUAXINKSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@@H](CO)C1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000650995019 453172247 /nfs/dbraw/zinc/17/22/47/453172247.db2.gz ZRDZLYXWIMTPNO-HNNXBMFYSA-N 2 2 340.512 1.062 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000656442421 453184272 /nfs/dbraw/zinc/18/42/72/453184272.db2.gz PXCDBUVSUGFHHU-SFHVURJKSA-N 2 2 348.878 1.967 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000660313433 453205074 /nfs/dbraw/zinc/20/50/74/453205074.db2.gz PTBJHNNLMBBBOF-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000656472556 453207456 /nfs/dbraw/zinc/20/74/56/453207456.db2.gz JGJVRIYJRKHMKJ-OAHLLOKOSA-N 2 2 338.415 1.542 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000656472556 453207461 /nfs/dbraw/zinc/20/74/61/453207461.db2.gz JGJVRIYJRKHMKJ-OAHLLOKOSA-N 2 2 338.415 1.542 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC[N@@H+]1C ZINC000648719783 453209114 /nfs/dbraw/zinc/20/91/14/453209114.db2.gz LUMHCAPPTDWXMR-NXHRZFHOSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC[N@H+]1C ZINC000648719783 453209121 /nfs/dbraw/zinc/20/91/21/453209121.db2.gz LUMHCAPPTDWXMR-NXHRZFHOSA-N 2 2 331.460 1.516 20 0 EDADLP CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653071095 453249339 /nfs/dbraw/zinc/24/93/39/453249339.db2.gz VORGDCLHAFZRIL-CQSZACIVSA-N 2 2 345.447 1.351 20 0 EDADLP CC(C)CC(=O)Nc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653076923 453254496 /nfs/dbraw/zinc/25/44/96/453254496.db2.gz JGYJPKQCNLNVQK-INIZCTEOSA-N 2 2 334.464 1.566 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648779487 453260926 /nfs/dbraw/zinc/26/09/26/453260926.db2.gz RVCOQUAGMITCAC-BHIYHBOVSA-N 2 2 345.487 1.386 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000648779487 453260929 /nfs/dbraw/zinc/26/09/29/453260929.db2.gz RVCOQUAGMITCAC-BHIYHBOVSA-N 2 2 345.487 1.386 20 0 EDADLP c1ccc(C[N@H+]2CC[C@H]2CNc2cc[nH+]c(N3CCOCC3)n2)cc1 ZINC000664630828 453268528 /nfs/dbraw/zinc/26/85/28/453268528.db2.gz GSPPBKHAMIUUKY-KRWDZBQOSA-N 2 2 339.443 2.000 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@H]2CNc2cc[nH+]c(N3CCOCC3)n2)cc1 ZINC000664630828 453268535 /nfs/dbraw/zinc/26/85/35/453268535.db2.gz GSPPBKHAMIUUKY-KRWDZBQOSA-N 2 2 339.443 2.000 20 0 EDADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1OC1CCOCC1 ZINC000653092495 453275113 /nfs/dbraw/zinc/27/51/13/453275113.db2.gz BFFHMTALMCIUOC-INIZCTEOSA-N 2 2 335.448 1.770 20 0 EDADLP CC(C)Cc1ncc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000666963576 453282106 /nfs/dbraw/zinc/28/21/06/453282106.db2.gz OEPHBZIJAYIASW-UHFFFAOYSA-N 2 2 336.484 1.680 20 0 EDADLP CC(C)Cc1ncc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000666963576 453282113 /nfs/dbraw/zinc/28/21/13/453282113.db2.gz OEPHBZIJAYIASW-UHFFFAOYSA-N 2 2 336.484 1.680 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653105422 453288018 /nfs/dbraw/zinc/28/80/18/453288018.db2.gz VEMMSYFVOFLGQQ-QZTJIDSGSA-N 2 2 331.460 1.393 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653105422 453288028 /nfs/dbraw/zinc/28/80/28/453288028.db2.gz VEMMSYFVOFLGQQ-QZTJIDSGSA-N 2 2 331.460 1.393 20 0 EDADLP O=C([C@@H]1CCC[NH2+]CC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000653106592 453290438 /nfs/dbraw/zinc/29/04/38/453290438.db2.gz DZSVVHDTFKCZIC-MRXNPFEDSA-N 2 2 341.459 1.368 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662568834 453295941 /nfs/dbraw/zinc/29/59/41/453295941.db2.gz VLZMRISBWOYWLM-GXTWGEPZSA-N 2 2 344.228 1.609 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000653123407 453315877 /nfs/dbraw/zinc/31/58/77/453315877.db2.gz XMUAMXVUGYREFS-HUUCEWRRSA-N 3 2 326.872 1.338 20 0 EDADLP CN(C)c1cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c2ccccc2n1 ZINC000653123069 453316124 /nfs/dbraw/zinc/31/61/24/453316124.db2.gz MTHHJBJUGBPKHI-OAHLLOKOSA-N 2 2 329.448 1.196 20 0 EDADLP C[N@H+](Cc1cnc(C2CC2)nc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656617962 453325369 /nfs/dbraw/zinc/32/53/69/453325369.db2.gz RQDCQBNSMZNDMX-SFHVURJKSA-N 2 2 329.492 1.954 20 0 EDADLP C[N@@H+](Cc1cnc(C2CC2)nc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656617962 453325374 /nfs/dbraw/zinc/32/53/74/453325374.db2.gz RQDCQBNSMZNDMX-SFHVURJKSA-N 2 2 329.492 1.954 20 0 EDADLP CN(Cc1cnc(C2CC2)nc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656617962 453325377 /nfs/dbraw/zinc/32/53/77/453325377.db2.gz RQDCQBNSMZNDMX-SFHVURJKSA-N 2 2 329.492 1.954 20 0 EDADLP CN(Cc1cnc(C2CC2)nc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656617962 453325383 /nfs/dbraw/zinc/32/53/83/453325383.db2.gz RQDCQBNSMZNDMX-SFHVURJKSA-N 2 2 329.492 1.954 20 0 EDADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nn1-c1cccc(Cl)c1 ZINC000653153433 453341851 /nfs/dbraw/zinc/34/18/51/453341851.db2.gz OUOIROCOAFWDFD-AWEZNQCLSA-N 2 2 335.839 1.474 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000653164859 453358399 /nfs/dbraw/zinc/35/83/99/453358399.db2.gz OOEPGUOMNLABPV-GOSISDBHSA-N 2 2 330.476 1.999 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(OCc2ccccc2F)CC1 ZINC000653168460 453360691 /nfs/dbraw/zinc/36/06/91/453360691.db2.gz AZHFOFQWKRZVGP-QGZVFWFLSA-N 2 2 337.439 1.612 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])n2)C1 ZINC000662662408 453375428 /nfs/dbraw/zinc/37/54/28/453375428.db2.gz FPIGNYKJBRVWBD-XBFCOCLRSA-N 2 2 338.477 1.677 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])n2)C1 ZINC000662662408 453375440 /nfs/dbraw/zinc/37/54/40/453375440.db2.gz FPIGNYKJBRVWBD-XBFCOCLRSA-N 2 2 338.477 1.677 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000658777687 453380826 /nfs/dbraw/zinc/38/08/26/453380826.db2.gz FRQAJTNFPWRFRG-AWEZNQCLSA-N 2 2 343.431 1.421 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000658777687 453380835 /nfs/dbraw/zinc/38/08/35/453380835.db2.gz FRQAJTNFPWRFRG-AWEZNQCLSA-N 2 2 343.431 1.421 20 0 EDADLP CCc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000648934512 453411483 /nfs/dbraw/zinc/41/14/83/453411483.db2.gz NRWPMAHTKWIPSL-QGZVFWFLSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000648934512 453411490 /nfs/dbraw/zinc/41/14/90/453411490.db2.gz NRWPMAHTKWIPSL-QGZVFWFLSA-N 2 2 330.476 1.885 20 0 EDADLP C[C@@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]([NH3+])c1ccccc1 ZINC000662704240 453426615 /nfs/dbraw/zinc/42/66/15/453426615.db2.gz XBUHKLKPTMNMNF-APWZRJJASA-N 2 2 345.487 1.893 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2csc(C[NH3+])n2)[C@H](Cc2ccccc2)C1 ZINC000653253983 453437416 /nfs/dbraw/zinc/43/74/16/453437416.db2.gz FYXNBMBPVSLPBU-CQSZACIVSA-N 2 2 330.457 1.601 20 0 EDADLP C[N@H+]1CCN(C(=O)c2csc(C[NH3+])n2)[C@H](Cc2ccccc2)C1 ZINC000653253983 453437426 /nfs/dbraw/zinc/43/74/26/453437426.db2.gz FYXNBMBPVSLPBU-CQSZACIVSA-N 2 2 330.457 1.601 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000646500378 453444875 /nfs/dbraw/zinc/44/48/75/453444875.db2.gz LFKZGENRJVXXQU-ZBFHGGJFSA-N 2 2 345.472 1.518 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000646500378 453444886 /nfs/dbraw/zinc/44/48/86/453444886.db2.gz LFKZGENRJVXXQU-ZBFHGGJFSA-N 2 2 345.472 1.518 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)CC1 ZINC000664866403 453453746 /nfs/dbraw/zinc/45/37/46/453453746.db2.gz FYCRYTXYDJRDDV-UHFFFAOYSA-N 2 2 347.507 1.783 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)CC1 ZINC000664866403 453453754 /nfs/dbraw/zinc/45/37/54/453453754.db2.gz FYCRYTXYDJRDDV-UHFFFAOYSA-N 2 2 347.507 1.783 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000662740785 453465985 /nfs/dbraw/zinc/46/59/85/453465985.db2.gz BXTNNGVEAZVMKW-HKUYNNGSSA-N 2 2 344.503 1.309 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000662740785 453465992 /nfs/dbraw/zinc/46/59/92/453465992.db2.gz BXTNNGVEAZVMKW-HKUYNNGSSA-N 2 2 344.503 1.309 20 0 EDADLP CC(C)N(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649065294 453514549 /nfs/dbraw/zinc/51/45/49/453514549.db2.gz UCZFGSXPBPGYKD-RBUKOAKNSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)N(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649065294 453514556 /nfs/dbraw/zinc/51/45/56/453514556.db2.gz UCZFGSXPBPGYKD-RBUKOAKNSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)N(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649065294 453514563 /nfs/dbraw/zinc/51/45/63/453514563.db2.gz UCZFGSXPBPGYKD-RBUKOAKNSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)N(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649065294 453514572 /nfs/dbraw/zinc/51/45/72/453514572.db2.gz UCZFGSXPBPGYKD-RBUKOAKNSA-N 2 2 345.487 1.829 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000660703719 453528404 /nfs/dbraw/zinc/52/84/04/453528404.db2.gz XPECSMQJEQHYGJ-QGZVFWFLSA-N 2 2 343.475 1.965 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000660703719 453528410 /nfs/dbraw/zinc/52/84/10/453528410.db2.gz XPECSMQJEQHYGJ-QGZVFWFLSA-N 2 2 343.475 1.965 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCCC1(F)F ZINC000664982243 453529061 /nfs/dbraw/zinc/52/90/61/453529061.db2.gz OOMOGVSTIDHZLZ-AWEZNQCLSA-N 2 2 334.455 1.995 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCCC1(F)F ZINC000664982243 453529071 /nfs/dbraw/zinc/52/90/71/453529071.db2.gz OOMOGVSTIDHZLZ-AWEZNQCLSA-N 2 2 334.455 1.995 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)c[nH+]2)CCO1 ZINC000655443884 453529649 /nfs/dbraw/zinc/52/96/49/453529649.db2.gz AVKFJHKXTBMIKR-SIXWZSSISA-N 2 2 344.459 1.313 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCOC3(C)C)C2)CC1 ZINC000660711796 453540221 /nfs/dbraw/zinc/54/02/21/453540221.db2.gz HBCHWNIRDIINGY-CABCVRRESA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCOC3(C)C)C2)CC1 ZINC000660711796 453540227 /nfs/dbraw/zinc/54/02/27/453540227.db2.gz HBCHWNIRDIINGY-CABCVRRESA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)n1cc(C2=CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)CC2)nn1 ZINC000660721233 453545923 /nfs/dbraw/zinc/54/59/23/453545923.db2.gz WKHUNIPRYWIYBO-KRWDZBQOSA-N 2 2 333.480 1.793 20 0 EDADLP CC(C)n1cc(C2=CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)CC2)nn1 ZINC000660721233 453545929 /nfs/dbraw/zinc/54/59/29/453545929.db2.gz WKHUNIPRYWIYBO-KRWDZBQOSA-N 2 2 333.480 1.793 20 0 EDADLP CC(C)n1cc(C2=CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)nn1 ZINC000660721233 453545933 /nfs/dbraw/zinc/54/59/33/453545933.db2.gz WKHUNIPRYWIYBO-KRWDZBQOSA-N 2 2 333.480 1.793 20 0 EDADLP CC(C)n1cc(C2=CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)nn1 ZINC000660721233 453545937 /nfs/dbraw/zinc/54/59/37/453545937.db2.gz WKHUNIPRYWIYBO-KRWDZBQOSA-N 2 2 333.480 1.793 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659098345 453630555 /nfs/dbraw/zinc/63/05/55/453630555.db2.gz MZPBSIJZLLEMAC-UHFFFAOYSA-N 2 2 341.415 1.413 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000660948558 453658641 /nfs/dbraw/zinc/65/86/41/453658641.db2.gz BBICDVXCOABLCD-GJZGRUSLSA-N 2 2 331.464 1.832 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000660948558 453658647 /nfs/dbraw/zinc/65/86/47/453658647.db2.gz BBICDVXCOABLCD-GJZGRUSLSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCC(F)(F)F ZINC000657071312 453661270 /nfs/dbraw/zinc/66/12/70/453661270.db2.gz JNOSGQSJSYCJIF-NSHDSACASA-N 2 2 333.420 1.130 20 0 EDADLP Cc1cccc(CS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000657071533 453661205 /nfs/dbraw/zinc/66/12/05/453661205.db2.gz PKHBGTHQCQTNDG-INIZCTEOSA-N 2 2 341.521 1.686 20 0 EDADLP Cc1cccc(CS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657071533 453661208 /nfs/dbraw/zinc/66/12/08/453661208.db2.gz PKHBGTHQCQTNDG-INIZCTEOSA-N 2 2 341.521 1.686 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCC(F)(F)F ZINC000657071312 453661273 /nfs/dbraw/zinc/66/12/73/453661273.db2.gz JNOSGQSJSYCJIF-NSHDSACASA-N 2 2 333.420 1.130 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)c1 ZINC000665536348 453736699 /nfs/dbraw/zinc/73/66/99/453736699.db2.gz OWXITCICWRQFKL-KBXCAEBGSA-N 2 2 342.443 1.942 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[NH+](C)C)c1 ZINC000665536348 453736702 /nfs/dbraw/zinc/73/67/02/453736702.db2.gz OWXITCICWRQFKL-KBXCAEBGSA-N 2 2 342.443 1.942 20 0 EDADLP [NH3+]C[C@@H]1OCC[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000663251758 453746257 /nfs/dbraw/zinc/74/62/57/453746257.db2.gz WALBNZHLVYBNHA-HOTGVXAUSA-N 2 2 344.415 1.400 20 0 EDADLP CC(=O)Nc1ccc(C)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665588240 453758219 /nfs/dbraw/zinc/75/82/19/453758219.db2.gz OJHDLFZHBMHGCZ-UHFFFAOYSA-N 2 2 349.479 1.958 20 0 EDADLP CC(=O)Nc1ccc(C)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000665588240 453758223 /nfs/dbraw/zinc/75/82/23/453758223.db2.gz OJHDLFZHBMHGCZ-UHFFFAOYSA-N 2 2 349.479 1.958 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661226586 453765939 /nfs/dbraw/zinc/76/59/39/453765939.db2.gz CHLRKJBZWZJRRN-OAHLLOKOSA-N 2 2 334.420 1.143 20 0 EDADLP Cn1ncc(C(F)(F)F)c1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657349940 453771827 /nfs/dbraw/zinc/77/18/27/453771827.db2.gz PNWNNIDCIRBHGS-LLVKDONJSA-N 2 2 347.385 1.116 20 0 EDADLP Cn1ncc(C(F)(F)F)c1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657349940 453771830 /nfs/dbraw/zinc/77/18/30/453771830.db2.gz PNWNNIDCIRBHGS-LLVKDONJSA-N 2 2 347.385 1.116 20 0 EDADLP CCc1cc(N2CCC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)ncn1 ZINC000657358377 453774377 /nfs/dbraw/zinc/77/43/77/453774377.db2.gz CMQIRQUADYYDSY-OAHLLOKOSA-N 2 2 326.448 1.940 20 0 EDADLP CN(c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1)S(C)(=O)=O ZINC000657372406 453777718 /nfs/dbraw/zinc/77/77/18/453777718.db2.gz RXQFNVLXDAYHDJ-UHFFFAOYSA-N 2 2 334.445 1.515 20 0 EDADLP CCC(CC)[C@@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[NH+](C)C ZINC000663379218 453784418 /nfs/dbraw/zinc/78/44/18/453784418.db2.gz JYJBPESGPJNQFT-OAHLLOKOSA-N 2 2 348.495 1.533 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663438646 453798650 /nfs/dbraw/zinc/79/86/50/453798650.db2.gz UKGXYEZEKADJGI-SFHVURJKSA-N 2 2 346.475 1.090 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663438646 453798654 /nfs/dbraw/zinc/79/86/54/453798654.db2.gz UKGXYEZEKADJGI-SFHVURJKSA-N 2 2 346.475 1.090 20 0 EDADLP Cc1c(N2CC[NH+](C3CC3)CC2)ncnc1N1CC[NH+](C2CC2)CC1 ZINC000663448457 453801139 /nfs/dbraw/zinc/80/11/39/453801139.db2.gz HIDIDFCOWPNBEP-UHFFFAOYSA-N 2 2 342.491 1.354 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663451486 453801541 /nfs/dbraw/zinc/80/15/41/453801541.db2.gz RZVKBWCYLWCDSN-OAHLLOKOSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663451486 453801542 /nfs/dbraw/zinc/80/15/42/453801542.db2.gz RZVKBWCYLWCDSN-OAHLLOKOSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663451486 453801544 /nfs/dbraw/zinc/80/15/44/453801544.db2.gz RZVKBWCYLWCDSN-OAHLLOKOSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663451486 453801546 /nfs/dbraw/zinc/80/15/46/453801546.db2.gz RZVKBWCYLWCDSN-OAHLLOKOSA-N 2 2 333.480 1.970 20 0 EDADLP c1snnc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663513311 453813640 /nfs/dbraw/zinc/81/36/40/453813640.db2.gz SCWKOURBPRSACL-LBPRGKRZSA-N 2 2 333.465 1.050 20 0 EDADLP c1snnc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663513311 453813642 /nfs/dbraw/zinc/81/36/42/453813642.db2.gz SCWKOURBPRSACL-LBPRGKRZSA-N 2 2 333.465 1.050 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672204862 486662812 /nfs/dbraw/zinc/66/28/12/486662812.db2.gz HEIWSSIVANAFBC-HOTGVXAUSA-N 2 2 347.463 1.037 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672204862 486662817 /nfs/dbraw/zinc/66/28/17/486662817.db2.gz HEIWSSIVANAFBC-HOTGVXAUSA-N 2 2 347.463 1.037 20 0 EDADLP CO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000679952216 486681545 /nfs/dbraw/zinc/68/15/45/486681545.db2.gz CVTVGKPDYVPRPJ-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP CO[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000679952216 486681552 /nfs/dbraw/zinc/68/15/52/486681552.db2.gz CVTVGKPDYVPRPJ-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCO1 ZINC000683378999 486700432 /nfs/dbraw/zinc/70/04/32/486700432.db2.gz SIHGFRMHFJWJSC-IAGOWNOFSA-N 2 2 349.479 1.731 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCO1 ZINC000683378999 486700436 /nfs/dbraw/zinc/70/04/36/486700436.db2.gz SIHGFRMHFJWJSC-IAGOWNOFSA-N 2 2 349.479 1.731 20 0 EDADLP COC1CC[NH+](CCNc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000683392277 486706068 /nfs/dbraw/zinc/70/60/68/486706068.db2.gz YKLNOUQAKGOWQI-UHFFFAOYSA-N 2 2 337.493 1.553 20 0 EDADLP CC1(C)CCC[N@H+](CCNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000683548510 486751718 /nfs/dbraw/zinc/75/17/18/486751718.db2.gz JMTRJSRCPWQABN-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC1(C)CCC[N@@H+](CCNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000683548510 486751724 /nfs/dbraw/zinc/75/17/24/486751724.db2.gz JMTRJSRCPWQABN-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC1(C)CCC[NH+](CCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000683548510 486751730 /nfs/dbraw/zinc/75/17/30/486751730.db2.gz JMTRJSRCPWQABN-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC1(C)CCC[NH+](CCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000683548510 486751733 /nfs/dbraw/zinc/75/17/33/486751733.db2.gz JMTRJSRCPWQABN-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415637872 486758161 /nfs/dbraw/zinc/75/81/61/486758161.db2.gz KIGOTRFVOAIHHB-DZGCQCFKSA-N 2 2 341.415 1.412 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000415637879 486758519 /nfs/dbraw/zinc/75/85/19/486758519.db2.gz KIGOTRFVOAIHHB-UKRRQHHQSA-N 2 2 341.415 1.412 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2 ZINC000672723057 486777562 /nfs/dbraw/zinc/77/75/62/486777562.db2.gz ZOKZJXHPJIDNTK-AWEZNQCLSA-N 2 2 349.479 1.016 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000672811699 486810023 /nfs/dbraw/zinc/81/00/23/486810023.db2.gz PJRHLQQGINMHAM-KRWDZBQOSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000672811699 486810026 /nfs/dbraw/zinc/81/00/26/486810026.db2.gz PJRHLQQGINMHAM-KRWDZBQOSA-N 2 2 326.444 1.991 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)ccc2n1C ZINC000667538798 486832171 /nfs/dbraw/zinc/83/21/71/486832171.db2.gz NQSLYULFINTFHJ-SWLSCSKDSA-N 2 2 341.415 1.031 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000671366278 486840334 /nfs/dbraw/zinc/84/03/34/486840334.db2.gz UJFHZNWOIVVEQZ-WMLDXEAASA-N 2 2 346.475 1.136 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000671366278 486840339 /nfs/dbraw/zinc/84/03/39/486840339.db2.gz UJFHZNWOIVVEQZ-WMLDXEAASA-N 2 2 346.475 1.136 20 0 EDADLP CN(C(=O)[C@@H]1CCn2ccnc2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676700870 486846409 /nfs/dbraw/zinc/84/64/09/486846409.db2.gz AZYFWBFTWCRGNJ-NVXWUHKLSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCn2ccnc2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676700870 486846413 /nfs/dbraw/zinc/84/64/13/486846413.db2.gz AZYFWBFTWCRGNJ-NVXWUHKLSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676700870 486846415 /nfs/dbraw/zinc/84/64/15/486846415.db2.gz AZYFWBFTWCRGNJ-NVXWUHKLSA-N 3 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676700870 486846420 /nfs/dbraw/zinc/84/64/20/486846420.db2.gz AZYFWBFTWCRGNJ-NVXWUHKLSA-N 3 2 345.491 1.072 20 0 EDADLP CC(C)[NH+]1CCN(C2CCN(c3cc[nH+]cc3C(N)=O)CC2)CC1 ZINC000680829841 486863029 /nfs/dbraw/zinc/86/30/29/486863029.db2.gz BMDXFEXZPKTJRS-UHFFFAOYSA-N 2 2 331.464 1.175 20 0 EDADLP CC(C)N1CC[NH+](C2CCN(c3cc[nH+]cc3C(N)=O)CC2)CC1 ZINC000680829841 486863033 /nfs/dbraw/zinc/86/30/33/486863033.db2.gz BMDXFEXZPKTJRS-UHFFFAOYSA-N 2 2 331.464 1.175 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670393046 486891810 /nfs/dbraw/zinc/89/18/10/486891810.db2.gz OFBMOCWGQFLNQL-MRXNPFEDSA-N 2 2 328.416 1.661 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@]34C[C@H]3COC4(C)C)CC2)CC1 ZINC000667641879 486893677 /nfs/dbraw/zinc/89/36/77/486893677.db2.gz GTLYDFQVONYQIX-LIRRHRJNSA-N 2 2 335.492 1.476 20 0 EDADLP CN(C(=O)NCCc1ccccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681207504 486973898 /nfs/dbraw/zinc/97/38/98/486973898.db2.gz CWRACOKQZYPSGS-SFHVURJKSA-N 2 2 345.491 1.434 20 0 EDADLP CN(C(=O)NCCc1ccccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681207504 486973904 /nfs/dbraw/zinc/97/39/04/486973904.db2.gz CWRACOKQZYPSGS-SFHVURJKSA-N 2 2 345.491 1.434 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1CC1 ZINC000667806175 486974538 /nfs/dbraw/zinc/97/45/38/486974538.db2.gz MUGBUQVGXDBMPZ-CJNGLKHVSA-N 2 2 340.431 1.904 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000677190752 487002920 /nfs/dbraw/zinc/00/29/20/487002920.db2.gz GLDAJQBSEVKDHO-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000677190752 487002923 /nfs/dbraw/zinc/00/29/23/487002923.db2.gz GLDAJQBSEVKDHO-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000677190752 487002928 /nfs/dbraw/zinc/00/29/28/487002928.db2.gz GLDAJQBSEVKDHO-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000677190752 487002933 /nfs/dbraw/zinc/00/29/33/487002933.db2.gz GLDAJQBSEVKDHO-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@H]1C ZINC000677216231 487011279 /nfs/dbraw/zinc/01/12/79/487011279.db2.gz DKRYLEGOOVPCED-VQIMIIECSA-N 2 2 345.487 1.737 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@H]1C ZINC000677216231 487011280 /nfs/dbraw/zinc/01/12/80/487011280.db2.gz DKRYLEGOOVPCED-VQIMIIECSA-N 2 2 345.487 1.737 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)CC3CCC3)C2)CC1 ZINC000684375364 487041146 /nfs/dbraw/zinc/04/11/46/487041146.db2.gz IURDEYAPDVCODB-HOTGVXAUSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)CC3CCC3)C2)CC1 ZINC000684375364 487041149 /nfs/dbraw/zinc/04/11/49/487041149.db2.gz IURDEYAPDVCODB-HOTGVXAUSA-N 2 2 338.496 1.005 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)C1 ZINC000684434939 487058954 /nfs/dbraw/zinc/05/89/54/487058954.db2.gz NDWWQSKNJAHUII-HNNXBMFYSA-N 2 2 330.432 1.722 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)C1 ZINC000684434939 487058961 /nfs/dbraw/zinc/05/89/61/487058961.db2.gz NDWWQSKNJAHUII-HNNXBMFYSA-N 2 2 330.432 1.722 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000677579599 487123528 /nfs/dbraw/zinc/12/35/28/487123528.db2.gz SMKOCBZZDMVPRM-QGZVFWFLSA-N 2 2 348.495 1.256 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)cc2[nH+]1 ZINC000668162127 487124376 /nfs/dbraw/zinc/12/43/76/487124376.db2.gz PEZCCHPOBOTUEW-ZIAGYGMSSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)cc2[nH+]1 ZINC000668162127 487124378 /nfs/dbraw/zinc/12/43/78/487124378.db2.gz PEZCCHPOBOTUEW-ZIAGYGMSSA-N 2 2 331.420 1.562 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000681661886 487125247 /nfs/dbraw/zinc/12/52/47/487125247.db2.gz GNWVKLNXOFPLET-CQSZACIVSA-N 2 2 326.404 1.125 20 0 EDADLP C[N@H+](CCOC[C@H]1CCCO1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711974 487139720 /nfs/dbraw/zinc/13/97/20/487139720.db2.gz WEPDOIQSNDDRFE-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP C[N@@H+](CCOC[C@H]1CCCO1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681711974 487139724 /nfs/dbraw/zinc/13/97/24/487139724.db2.gz WEPDOIQSNDDRFE-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP C[NH+](CCOC[C@H]1CCCO1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681711974 487139730 /nfs/dbraw/zinc/13/97/30/487139730.db2.gz WEPDOIQSNDDRFE-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP C[NH+](CCOC[C@H]1CCCO1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681711974 487139734 /nfs/dbraw/zinc/13/97/34/487139734.db2.gz WEPDOIQSNDDRFE-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)NCCc2cn3ccccc3[nH+]2)cn1 ZINC000673868808 487140217 /nfs/dbraw/zinc/14/02/17/487140217.db2.gz FLEXWTTZEFTQBT-UHFFFAOYSA-N 2 2 341.419 1.457 20 0 EDADLP Cn1cc([C@H]2C[N@H+](Cc3c[nH+]c4n3CCC4)CC23CCOCC3)cn1 ZINC000668212893 487145125 /nfs/dbraw/zinc/14/51/25/487145125.db2.gz PGTKEOXQSCIDFI-QGZVFWFLSA-N 2 2 341.459 1.959 20 0 EDADLP Cn1cc([C@H]2C[N@@H+](Cc3c[nH+]c4n3CCC4)CC23CCOCC3)cn1 ZINC000668212893 487145130 /nfs/dbraw/zinc/14/51/30/487145130.db2.gz PGTKEOXQSCIDFI-QGZVFWFLSA-N 2 2 341.459 1.959 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(CC2)CC1 ZINC000677716719 487157364 /nfs/dbraw/zinc/15/73/64/487157364.db2.gz IAFVOTPWYVZDID-MRXNPFEDSA-N 2 2 328.460 1.995 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1cn[nH]c1 ZINC000673927107 487160162 /nfs/dbraw/zinc/16/01/62/487160162.db2.gz NFIUODVODQHXOY-UHFFFAOYSA-N 2 2 343.431 1.312 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1cn[nH]c1 ZINC000673927107 487160166 /nfs/dbraw/zinc/16/01/66/487160166.db2.gz NFIUODVODQHXOY-UHFFFAOYSA-N 2 2 343.431 1.312 20 0 EDADLP CCCCNc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000672142492 487180747 /nfs/dbraw/zinc/18/07/47/487180747.db2.gz FISZXZLRUIVPNT-AWEZNQCLSA-N 2 2 334.468 1.572 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H]2CCCc3cccnc32)C1=O ZINC000684962063 487201400 /nfs/dbraw/zinc/20/14/00/487201400.db2.gz QHWFQXVKILVQEC-HZPDHXFCSA-N 2 2 339.443 1.973 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235748 487269220 /nfs/dbraw/zinc/26/92/20/487269220.db2.gz OTSUJLAXKYZICP-MRXNPFEDSA-N 2 2 344.463 1.599 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235748 487269221 /nfs/dbraw/zinc/26/92/21/487269221.db2.gz OTSUJLAXKYZICP-MRXNPFEDSA-N 2 2 344.463 1.599 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561276 487295795 /nfs/dbraw/zinc/29/57/95/487295795.db2.gz CEHJVORSRYZRCQ-NVXWUHKLSA-N 2 2 347.507 1.639 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561276 487295799 /nfs/dbraw/zinc/29/57/99/487295799.db2.gz CEHJVORSRYZRCQ-NVXWUHKLSA-N 2 2 347.507 1.639 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561276 487295802 /nfs/dbraw/zinc/29/58/02/487295802.db2.gz CEHJVORSRYZRCQ-NVXWUHKLSA-N 2 2 347.507 1.639 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561276 487295806 /nfs/dbraw/zinc/29/58/06/487295806.db2.gz CEHJVORSRYZRCQ-NVXWUHKLSA-N 2 2 347.507 1.639 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3c(F)cccc3F)C2)CC1 ZINC000674799795 487324597 /nfs/dbraw/zinc/32/45/97/487324597.db2.gz MFSZKCJIKHXQEE-ZDUSSCGKSA-N 2 2 337.414 1.792 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3c(F)cccc3F)C2)CC1 ZINC000674799795 487324601 /nfs/dbraw/zinc/32/46/01/487324601.db2.gz MFSZKCJIKHXQEE-ZDUSSCGKSA-N 2 2 337.414 1.792 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)[nH+]c12 ZINC000675107218 487378771 /nfs/dbraw/zinc/37/87/71/487378771.db2.gz GNANNYLAWMDNDC-WMLDXEAASA-N 2 2 341.459 1.967 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)[nH+]c12 ZINC000675107218 487378773 /nfs/dbraw/zinc/37/87/73/487378773.db2.gz GNANNYLAWMDNDC-WMLDXEAASA-N 2 2 341.459 1.967 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000675198165 487389068 /nfs/dbraw/zinc/38/90/68/487389068.db2.gz SGZIPVZFYFLKQU-SFHVURJKSA-N 2 2 345.491 1.783 20 0 EDADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000675574188 487424434 /nfs/dbraw/zinc/42/44/34/487424434.db2.gz IZGIUXHJDCZPRE-UHFFFAOYSA-N 2 2 344.463 1.160 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000675731358 487439714 /nfs/dbraw/zinc/43/97/14/487439714.db2.gz GWXLVLCPWSCWEF-CRAIPNDOSA-N 2 2 344.463 1.670 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000675731358 487439717 /nfs/dbraw/zinc/43/97/17/487439717.db2.gz GWXLVLCPWSCWEF-CRAIPNDOSA-N 2 2 344.463 1.670 20 0 EDADLP CC[NH+]1CCN(CC(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC1 ZINC000679699810 487458830 /nfs/dbraw/zinc/45/88/30/487458830.db2.gz IJKZTFFUTWPUFZ-UHFFFAOYSA-N 2 2 345.491 1.244 20 0 EDADLP CC[NH+]1CCN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC1 ZINC000679705787 487459915 /nfs/dbraw/zinc/45/99/15/487459915.db2.gz XCRJDRULXPIVEM-UHFFFAOYSA-N 2 2 331.464 1.837 20 0 EDADLP C[C@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000119059530 485495129 /nfs/dbraw/zinc/49/51/29/485495129.db2.gz PZNFTKISHLNLSU-GUYCJALGSA-N 2 2 345.443 1.943 20 0 EDADLP C[C@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000119059530 485495132 /nfs/dbraw/zinc/49/51/32/485495132.db2.gz PZNFTKISHLNLSU-GUYCJALGSA-N 2 2 345.443 1.943 20 0 EDADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668970525 485507736 /nfs/dbraw/zinc/50/77/36/485507736.db2.gz OIQVROBKXSDKOS-GFCCVEGCSA-N 2 2 341.415 1.314 20 0 EDADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668970525 485507744 /nfs/dbraw/zinc/50/77/44/485507744.db2.gz OIQVROBKXSDKOS-GFCCVEGCSA-N 2 2 341.415 1.314 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)[NH+]1CCOCC1 ZINC000672147050 485858095 /nfs/dbraw/zinc/85/80/95/485858095.db2.gz GHTFFHBFNDPXCE-WBVHZDCISA-N 2 2 334.464 1.451 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000668546013 485876813 /nfs/dbraw/zinc/87/68/13/485876813.db2.gz NNVDFECXXCLVGU-CYBMUJFWSA-N 2 2 345.274 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000668546013 485876818 /nfs/dbraw/zinc/87/68/18/485876818.db2.gz NNVDFECXXCLVGU-CYBMUJFWSA-N 2 2 345.274 1.820 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000668610760 485945051 /nfs/dbraw/zinc/94/50/51/485945051.db2.gz GEUAMHRHZBZFBT-KZNAEPCWSA-N 2 2 346.475 1.457 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000668610760 485945057 /nfs/dbraw/zinc/94/50/57/485945057.db2.gz GEUAMHRHZBZFBT-KZNAEPCWSA-N 2 2 346.475 1.457 20 0 EDADLP CN(C(=O)c1cnc2n1CCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616848 485953502 /nfs/dbraw/zinc/95/35/02/485953502.db2.gz GRWYQMXMCMIYLI-HNNXBMFYSA-N 2 2 331.464 1.070 20 0 EDADLP CN(C(=O)c1cnc2n1CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616848 485953508 /nfs/dbraw/zinc/95/35/08/485953508.db2.gz GRWYQMXMCMIYLI-HNNXBMFYSA-N 2 2 331.464 1.070 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC2([NH3+])CCC2)[NH+]2CCOCC2)cc1 ZINC000237876982 486014212 /nfs/dbraw/zinc/01/42/12/486014212.db2.gz BJZQDIMOLZPUSW-QGZVFWFLSA-N 2 2 331.460 1.756 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000668792707 486201574 /nfs/dbraw/zinc/20/15/74/486201574.db2.gz HVDSDVHZBSOWFS-UHFFFAOYSA-N 2 2 326.448 1.738 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)C1 ZINC000668817904 486225723 /nfs/dbraw/zinc/22/57/23/486225723.db2.gz BYTBHKKWQMEUAH-JYJNAYRXSA-N 2 2 348.491 1.768 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)C1 ZINC000668817904 486225727 /nfs/dbraw/zinc/22/57/27/486225727.db2.gz BYTBHKKWQMEUAH-JYJNAYRXSA-N 2 2 348.491 1.768 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C1 ZINC000668817904 486225732 /nfs/dbraw/zinc/22/57/32/486225732.db2.gz BYTBHKKWQMEUAH-JYJNAYRXSA-N 2 2 348.491 1.768 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C1 ZINC000668817904 486225739 /nfs/dbraw/zinc/22/57/39/486225739.db2.gz BYTBHKKWQMEUAH-JYJNAYRXSA-N 2 2 348.491 1.768 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCC1(F)F ZINC000673205010 486479116 /nfs/dbraw/zinc/47/91/16/486479116.db2.gz LBNXVKVJUHLWMD-AWEZNQCLSA-N 2 2 332.439 1.842 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCC1(F)F ZINC000673205010 486479119 /nfs/dbraw/zinc/47/91/19/486479119.db2.gz LBNXVKVJUHLWMD-AWEZNQCLSA-N 2 2 332.439 1.842 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672155220 486602287 /nfs/dbraw/zinc/60/22/87/486602287.db2.gz ZSVAOOCQJJXJIT-INIZCTEOSA-N 2 2 335.411 1.802 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])([NH+]2CCCCC2)CC1 ZINC000261712310 486646987 /nfs/dbraw/zinc/64/69/87/486646987.db2.gz GHJUHUKBZFQWCR-IAGOWNOFSA-N 3 2 336.524 1.428 20 0 EDADLP [NH3+]CCCCn1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)nn1 ZINC000564087491 491005712 /nfs/dbraw/zinc/00/57/12/491005712.db2.gz ALACMGSHNGPJLE-UHFFFAOYSA-N 2 2 325.376 1.659 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000189734903 528226785 /nfs/dbraw/zinc/22/67/85/528226785.db2.gz OVQVQRMGLGOVDE-FUHWJXTLSA-N 2 2 333.476 1.595 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000175861740 529118358 /nfs/dbraw/zinc/11/83/58/529118358.db2.gz VDCQFEGVNYHMGQ-INIZCTEOSA-N 2 2 341.496 1.007 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000175861740 529118361 /nfs/dbraw/zinc/11/83/61/529118361.db2.gz VDCQFEGVNYHMGQ-INIZCTEOSA-N 2 2 341.496 1.007 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000263111568 535053983 /nfs/dbraw/zinc/05/39/83/535053983.db2.gz DWFHWFSVQHUSMN-KRWDZBQOSA-N 2 2 342.399 1.912 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)CC1 ZINC000331599741 535145350 /nfs/dbraw/zinc/14/53/50/535145350.db2.gz PVWLPYLNIQHXMC-QGZVFWFLSA-N 2 2 345.491 1.630 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)CC1 ZINC000331599741 535145351 /nfs/dbraw/zinc/14/53/51/535145351.db2.gz PVWLPYLNIQHXMC-QGZVFWFLSA-N 2 2 345.491 1.630 20 0 EDADLP CC(C)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCO1 ZINC000353024316 535248599 /nfs/dbraw/zinc/24/85/99/535248599.db2.gz ZTLRJYJHKYKWHV-XWDNEUNKSA-N 2 2 337.508 1.863 20 0 EDADLP CC(C)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCO1 ZINC000353024316 535248604 /nfs/dbraw/zinc/24/86/04/535248604.db2.gz ZTLRJYJHKYKWHV-XWDNEUNKSA-N 2 2 337.508 1.863 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCc2cccc(COC)c2)CC1 ZINC000077249319 535458330 /nfs/dbraw/zinc/45/83/30/535458330.db2.gz XQLDRCDYONNMGV-UHFFFAOYSA-N 2 2 333.476 1.865 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCc2cccc(COC)c2)CC1 ZINC000077249319 535458336 /nfs/dbraw/zinc/45/83/36/535458336.db2.gz XQLDRCDYONNMGV-UHFFFAOYSA-N 2 2 333.476 1.865 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000051879370 535494070 /nfs/dbraw/zinc/49/40/70/535494070.db2.gz ANHNDPNXLDEFDS-QGZVFWFLSA-N 2 2 330.432 1.976 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H](C[NH3+])OC ZINC000262782121 535701620 /nfs/dbraw/zinc/70/16/20/535701620.db2.gz LIQWQVKFCOCZRN-INIZCTEOSA-N 2 2 334.464 1.510 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3cc(C)ccc3C)C2)CC1 ZINC000107370007 535733954 /nfs/dbraw/zinc/73/39/54/535733954.db2.gz CRQIGBISZMEMEE-GOSISDBHSA-N 2 2 344.503 1.954 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3cc(C)ccc3C)C2)CC1 ZINC000107370007 535733956 /nfs/dbraw/zinc/73/39/56/535733956.db2.gz CRQIGBISZMEMEE-GOSISDBHSA-N 2 2 344.503 1.954 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC3CCC(C)CC3)C2)CC1 ZINC000107369058 535734250 /nfs/dbraw/zinc/73/42/50/535734250.db2.gz QGBAAWLKTZONFD-DAWZGUTISA-N 2 2 336.524 1.393 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC3CCC(C)CC3)C2)CC1 ZINC000107369058 535734253 /nfs/dbraw/zinc/73/42/53/535734253.db2.gz QGBAAWLKTZONFD-DAWZGUTISA-N 2 2 336.524 1.393 20 0 EDADLP CC[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000066987997 535751191 /nfs/dbraw/zinc/75/11/91/535751191.db2.gz IZVQUTGHCYAAHA-UHFFFAOYSA-N 2 2 334.464 1.270 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000066987997 535751196 /nfs/dbraw/zinc/75/11/96/535751196.db2.gz IZVQUTGHCYAAHA-UHFFFAOYSA-N 2 2 334.464 1.270 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000246754164 535760336 /nfs/dbraw/zinc/76/03/36/535760336.db2.gz OBGQCNKBMPRMFE-PKOBYXMFSA-N 2 2 345.487 1.860 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000246754164 535760344 /nfs/dbraw/zinc/76/03/44/535760344.db2.gz OBGQCNKBMPRMFE-PKOBYXMFSA-N 2 2 345.487 1.860 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261581541 536303757 /nfs/dbraw/zinc/30/37/57/536303757.db2.gz QQYPORSJEDRAJZ-UHFFFAOYSA-N 3 2 344.503 1.405 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261581541 536303759 /nfs/dbraw/zinc/30/37/59/536303759.db2.gz QQYPORSJEDRAJZ-UHFFFAOYSA-N 3 2 344.503 1.405 20 0 EDADLP C[NH+]1CCC(CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000158675133 536338074 /nfs/dbraw/zinc/33/80/74/536338074.db2.gz GXQHJRVTSJXURI-QGZVFWFLSA-N 2 2 332.448 1.976 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])CC2)CC1 ZINC000263051229 536339984 /nfs/dbraw/zinc/33/99/84/536339984.db2.gz UPOONIANRYVTDY-IEBWSBKVSA-N 3 2 336.524 1.569 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000248064528 536368071 /nfs/dbraw/zinc/36/80/71/536368071.db2.gz MBYGPBLFXDWYIV-IAGOWNOFSA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000248064528 536368075 /nfs/dbraw/zinc/36/80/75/536368075.db2.gz MBYGPBLFXDWYIV-IAGOWNOFSA-N 2 2 335.423 1.098 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000262373234 536659354 /nfs/dbraw/zinc/65/93/54/536659354.db2.gz WXVLEUSPGBAMHU-SWLSCSKDSA-N 2 2 325.840 1.519 20 0 EDADLP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000726256875 578339383 /nfs/dbraw/zinc/33/93/83/578339383.db2.gz QINNMZRQJKNVON-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000726256875 578339384 /nfs/dbraw/zinc/33/93/84/578339384.db2.gz QINNMZRQJKNVON-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H]1CCC[NH+](CCCCNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000726256875 578339385 /nfs/dbraw/zinc/33/93/85/578339385.db2.gz QINNMZRQJKNVON-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H]1CCC[NH+](CCCCNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000726256875 578339386 /nfs/dbraw/zinc/33/93/86/578339386.db2.gz QINNMZRQJKNVON-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000726258401 578339925 /nfs/dbraw/zinc/33/99/25/578339925.db2.gz JJAFPNDZWIZLME-OAHLLOKOSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000726258401 578339926 /nfs/dbraw/zinc/33/99/26/578339926.db2.gz JJAFPNDZWIZLME-OAHLLOKOSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCCC[NH2+]C2CCCCC2)CCO1 ZINC000726258708 578340099 /nfs/dbraw/zinc/34/00/99/578340099.db2.gz FJRJXPPECFKTPO-HNNXBMFYSA-N 2 2 326.485 1.319 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCCC[NH2+]C2CCCCC2)CCO1 ZINC000726258708 578340100 /nfs/dbraw/zinc/34/01/00/578340100.db2.gz FJRJXPPECFKTPO-HNNXBMFYSA-N 2 2 326.485 1.319 20 0 EDADLP CNC(=O)C1([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCCC1 ZINC000733999330 578793262 /nfs/dbraw/zinc/79/32/62/578793262.db2.gz GMHDRPSLCTVINV-HNNXBMFYSA-N 2 2 344.459 1.662 20 0 EDADLP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000760958826 580042679 /nfs/dbraw/zinc/04/26/79/580042679.db2.gz BUALNUFSOATGJQ-HZPDHXFCSA-N 2 2 326.481 1.887 20 0 EDADLP CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000760958826 580042680 /nfs/dbraw/zinc/04/26/80/580042680.db2.gz BUALNUFSOATGJQ-HZPDHXFCSA-N 2 2 326.481 1.887 20 0 EDADLP C[C@H](COC(=O)[C@H]1CCCC[N@@H+]1C)COC(=O)[C@@H]1CCCC[NH+]1C ZINC000745079701 579536493 /nfs/dbraw/zinc/53/64/93/579536493.db2.gz MTFRLMLHFKTIGY-PHZGNYQRSA-N 2 2 340.464 1.678 20 0 EDADLP C[C@H](COC(=O)[C@H]1CCCC[N@H+]1C)COC(=O)[C@@H]1CCCC[NH+]1C ZINC000745079701 579536495 /nfs/dbraw/zinc/53/64/95/579536495.db2.gz MTFRLMLHFKTIGY-PHZGNYQRSA-N 2 2 340.464 1.678 20 0 EDADLP C[C@H](COC(=O)[C@H]1CCCC[NH+]1C)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745079701 579536496 /nfs/dbraw/zinc/53/64/96/579536496.db2.gz MTFRLMLHFKTIGY-PHZGNYQRSA-N 2 2 340.464 1.678 20 0 EDADLP C[C@H](COC(=O)[C@H]1CCCC[NH+]1C)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745079701 579536498 /nfs/dbraw/zinc/53/64/98/579536498.db2.gz MTFRLMLHFKTIGY-PHZGNYQRSA-N 2 2 340.464 1.678 20 0 EDADLP O=C(Nc1ccccc1)NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000747681715 579653664 /nfs/dbraw/zinc/65/36/64/579653664.db2.gz PIWVXQLAWXCSAQ-SFHVURJKSA-N 2 2 346.475 1.729 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cn1 ZINC000749568589 579730903 /nfs/dbraw/zinc/73/09/03/579730903.db2.gz OZYSNRWHJMPXDB-OAHLLOKOSA-N 2 2 336.399 1.651 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)CCO1 ZINC000750290869 579758422 /nfs/dbraw/zinc/75/84/22/579758422.db2.gz FDUWXCJXRYGKCU-FHERZECASA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)CCO1 ZINC000750290869 579758424 /nfs/dbraw/zinc/75/84/24/579758424.db2.gz FDUWXCJXRYGKCU-FHERZECASA-N 2 2 326.485 1.127 20 0 EDADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc12 ZINC000752116427 579838654 /nfs/dbraw/zinc/83/86/54/579838654.db2.gz RGCIYKHKYYCEQM-OAHLLOKOSA-N 2 2 325.844 1.332 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CCO)c2cccs2)CC1 ZINC000754391041 579902644 /nfs/dbraw/zinc/90/26/44/579902644.db2.gz XHJGPJYKPCCGIC-UONOGXRCSA-N 2 2 325.478 1.314 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@@]2(CCOC2)CC1=O ZINC000762073864 580066339 /nfs/dbraw/zinc/06/63/39/580066339.db2.gz KQNWKENGDADACK-GOSISDBHSA-N 2 2 334.464 1.754 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@@]2(CCOC2)CC1=O ZINC000762073864 580066340 /nfs/dbraw/zinc/06/63/40/580066340.db2.gz KQNWKENGDADACK-GOSISDBHSA-N 2 2 334.464 1.754 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)n1 ZINC000763984819 580109770 /nfs/dbraw/zinc/10/97/70/580109770.db2.gz ZGSOAPCGDZJZDS-CQSZACIVSA-N 2 2 337.493 1.313 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)n1 ZINC000763984819 580109771 /nfs/dbraw/zinc/10/97/71/580109771.db2.gz ZGSOAPCGDZJZDS-CQSZACIVSA-N 2 2 337.493 1.313 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)NCc1ccccc1 ZINC000765381559 580140790 /nfs/dbraw/zinc/14/07/90/580140790.db2.gz NUMZHJRUAWXQKN-UHFFFAOYSA-N 2 2 338.455 1.952 20 0 EDADLP COC(=O)c1nn(C[N@H+](C)CCCn2cc[nH+]c2)c(C)c1Cl ZINC000767753641 580198549 /nfs/dbraw/zinc/19/85/49/580198549.db2.gz DCTYGOGRLYJTMS-UHFFFAOYSA-N 2 2 325.800 1.808 20 0 EDADLP COC(=O)c1nn(C[N@@H+](C)CCCn2cc[nH+]c2)c(C)c1Cl ZINC000767753641 580198550 /nfs/dbraw/zinc/19/85/50/580198550.db2.gz DCTYGOGRLYJTMS-UHFFFAOYSA-N 2 2 325.800 1.808 20 0 EDADLP CN(C(=O)/C=C\c1cncc(O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779664630 580493946 /nfs/dbraw/zinc/49/39/46/580493946.db2.gz CMSJTDAVMSHIMD-CWIOURORSA-N 2 2 344.459 1.427 20 0 EDADLP CN(C(=O)/C=C\c1cncc(O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779664630 580493947 /nfs/dbraw/zinc/49/39/47/580493947.db2.gz CMSJTDAVMSHIMD-CWIOURORSA-N 2 2 344.459 1.427 20 0 EDADLP Cn1c[nH+]cc1Cc1noc([C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000783629459 580602964 /nfs/dbraw/zinc/60/29/64/580602964.db2.gz QFPLWCLWNWZYNS-GOSISDBHSA-N 2 2 339.399 1.487 20 0 EDADLP Cn1c[nH+]cc1Cc1noc([C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000783629459 580602965 /nfs/dbraw/zinc/60/29/65/580602965.db2.gz QFPLWCLWNWZYNS-GOSISDBHSA-N 2 2 339.399 1.487 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000783984702 580610200 /nfs/dbraw/zinc/61/02/00/580610200.db2.gz OJKRGPPQMOOFIW-IAGOWNOFSA-N 2 2 345.491 1.644 20 0 EDADLP CCC[N@H+](C[C@H]1CCCCO1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783986142 580610326 /nfs/dbraw/zinc/61/03/26/580610326.db2.gz CHKNQFUYXLMIDD-JKSUJKDBSA-N 2 2 334.464 1.975 20 0 EDADLP CCC[N@@H+](C[C@H]1CCCCO1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783986142 580610327 /nfs/dbraw/zinc/61/03/27/580610327.db2.gz CHKNQFUYXLMIDD-JKSUJKDBSA-N 2 2 334.464 1.975 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000783993280 580610925 /nfs/dbraw/zinc/61/09/25/580610925.db2.gz FZVSDDBNWSVQJP-PMPSAXMXSA-N 2 2 331.464 1.110 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000783993280 580610926 /nfs/dbraw/zinc/61/09/26/580610926.db2.gz FZVSDDBNWSVQJP-PMPSAXMXSA-N 2 2 331.464 1.110 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000784590277 580624541 /nfs/dbraw/zinc/62/45/41/580624541.db2.gz XLSFKNLAMHNEGM-WBVHZDCISA-N 2 2 347.459 1.385 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC3(CCOCC3)CC2)C1 ZINC000789530657 580748701 /nfs/dbraw/zinc/74/87/01/580748701.db2.gz LCDDEXPBBCYKGN-OAHLLOKOSA-N 2 2 332.448 1.586 20 0 EDADLP Cc1cc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)n(C)n1 ZINC000793529796 580847201 /nfs/dbraw/zinc/84/72/01/580847201.db2.gz VGOCXPONNRMYEJ-HNNXBMFYSA-N 2 2 328.464 1.726 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000798192441 580990250 /nfs/dbraw/zinc/99/02/50/580990250.db2.gz PHACDTMTJBSRQM-UHFFFAOYSA-N 2 2 344.415 1.813 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799301850 581024595 /nfs/dbraw/zinc/02/45/95/581024595.db2.gz XCLYVNOKERCHBF-FUHWJXTLSA-N 2 2 336.455 1.356 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799301850 581024596 /nfs/dbraw/zinc/02/45/96/581024596.db2.gz XCLYVNOKERCHBF-FUHWJXTLSA-N 2 2 336.455 1.356 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000891927680 590691541 /nfs/dbraw/zinc/69/15/41/590691541.db2.gz UHPQKTUKOBQMCZ-UHFFFAOYSA-N 2 2 333.480 1.594 20 0 EDADLP [NH3+]C1CCC(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000892020880 590754237 /nfs/dbraw/zinc/75/42/37/590754237.db2.gz CLGPCEFNHJNGSJ-UHFFFAOYSA-N 2 2 349.504 1.704 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H](C)CCC[NH3+])C2)c1 ZINC000892140404 590819040 /nfs/dbraw/zinc/81/90/40/590819040.db2.gz YXIRBZKGRXKGAM-SJLPKXTDSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H](C)CCC[NH3+])C2)c1 ZINC000892140404 590819042 /nfs/dbraw/zinc/81/90/42/590819042.db2.gz YXIRBZKGRXKGAM-SJLPKXTDSA-N 2 2 348.491 1.622 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1F ZINC000892154106 590825372 /nfs/dbraw/zinc/82/53/72/590825372.db2.gz VNQZBYROCZWDAI-GOEBONIOSA-N 2 2 336.455 1.687 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1F ZINC000892154106 590825376 /nfs/dbraw/zinc/82/53/76/590825376.db2.gz VNQZBYROCZWDAI-GOEBONIOSA-N 2 2 336.455 1.687 20 0 EDADLP Cc1cc(NCCNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(C(C)C)[nH+]1 ZINC000892283548 590913169 /nfs/dbraw/zinc/91/31/69/590913169.db2.gz RGWYCWLJKNODJT-OKILXGFUSA-N 2 2 332.452 1.466 20 0 EDADLP Cc1cc(N)nc(N2CCC[N@@H+](Cc3nccn3C(C)C)CC2)[nH+]1 ZINC000892364298 590991684 /nfs/dbraw/zinc/99/16/84/590991684.db2.gz FTAPBSRFPOPVGW-UHFFFAOYSA-N 2 2 329.452 1.857 20 0 EDADLP Cc1cc(N)nc(N2CCC[N@H+](Cc3nccn3C(C)C)CC2)[nH+]1 ZINC000892364298 590991688 /nfs/dbraw/zinc/99/16/88/590991688.db2.gz FTAPBSRFPOPVGW-UHFFFAOYSA-N 2 2 329.452 1.857 20 0 EDADLP [NH3+][C@@H](CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000892408595 591015642 /nfs/dbraw/zinc/01/56/42/591015642.db2.gz RXKIAFDHQNGODQ-OKZBNKHCSA-N 2 2 346.475 1.109 20 0 EDADLP [NH3+][C@@H](CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000892408595 591015647 /nfs/dbraw/zinc/01/56/47/591015647.db2.gz RXKIAFDHQNGODQ-OKZBNKHCSA-N 2 2 346.475 1.109 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000892421659 591022004 /nfs/dbraw/zinc/02/20/04/591022004.db2.gz MCXHWMACAXQVFI-CYBMUJFWSA-N 2 2 337.518 1.986 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892493202 591048374 /nfs/dbraw/zinc/04/83/74/591048374.db2.gz DBKOGDQTHXAGOG-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c[nH+]1 ZINC000891348068 591053959 /nfs/dbraw/zinc/05/39/59/591053959.db2.gz NNRMPFRSEFVWKY-QGZVFWFLSA-N 2 2 339.443 1.661 20 0 EDADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892513536 591054641 /nfs/dbraw/zinc/05/46/41/591054641.db2.gz CCVMWFXPBJCGGU-UONOGXRCSA-N 2 2 349.504 1.527 20 0 EDADLP [NH3+][C@H]1C[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892513870 591054995 /nfs/dbraw/zinc/05/49/95/591054995.db2.gz NNUUTGURNTXCES-OKILXGFUSA-N 2 2 335.477 1.171 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562759 591073406 /nfs/dbraw/zinc/07/34/06/591073406.db2.gz KRIFFFMNVAWMRU-HZPDHXFCSA-N 2 2 340.431 1.645 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562759 591073411 /nfs/dbraw/zinc/07/34/11/591073411.db2.gz KRIFFFMNVAWMRU-HZPDHXFCSA-N 2 2 340.431 1.645 20 0 EDADLP COc1nccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1F ZINC000892594763 591086179 /nfs/dbraw/zinc/08/61/79/591086179.db2.gz OLNJGOLBHMREJL-UHFFFAOYSA-N 2 2 345.422 1.666 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000892609090 591092586 /nfs/dbraw/zinc/09/25/86/591092586.db2.gz KXHZXZDQSIJMLZ-QZTJIDSGSA-N 2 2 346.475 1.329 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H]([NH3+])C3)C2)c1 ZINC000892609090 591092591 /nfs/dbraw/zinc/09/25/91/591092591.db2.gz KXHZXZDQSIJMLZ-QZTJIDSGSA-N 2 2 346.475 1.329 20 0 EDADLP COCCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)o1 ZINC000891505000 591097812 /nfs/dbraw/zinc/09/78/12/591097812.db2.gz DDNUMYVVYQSQGH-UHFFFAOYSA-N 2 2 337.464 1.518 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[NH+]1CCN(CC[NH+]3CCCC3)CC1)OCCO2 ZINC000891506345 591099479 /nfs/dbraw/zinc/09/94/79/591099479.db2.gz XDNHMPLJISCQOL-SJORKVTESA-N 2 2 341.471 1.334 20 0 EDADLP CC(=O)OC[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000892695860 591135494 /nfs/dbraw/zinc/13/54/94/591135494.db2.gz FKQJDGXMUNYOCS-OAHLLOKOSA-N 2 2 336.432 1.439 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892800499 591185178 /nfs/dbraw/zinc/18/51/78/591185178.db2.gz SMCFAHAHUNAJTK-QAPCUYQASA-N 2 2 346.475 1.063 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)[C@@H]2C1 ZINC000891690098 591186040 /nfs/dbraw/zinc/18/60/40/591186040.db2.gz ZSPVJGCGAIFUPO-ZWKOTPCHSA-N 2 2 339.443 1.777 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)[C@@H]2C1 ZINC000891690098 591186044 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0 EDADLP c1ccc2c(c1)ccnc2C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000894255917 591250029 /nfs/dbraw/zinc/25/00/29/591250029.db2.gz LRQSTLGSVPZVJD-GOSISDBHSA-N 2 2 340.471 1.731 20 0 EDADLP CO[C@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000895684798 591252700 /nfs/dbraw/zinc/25/27/00/591252700.db2.gz GIMMVEYBPGSOEB-RTBURBONSA-N 2 2 339.524 1.578 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc[nH+]1 ZINC000894436311 591312190 /nfs/dbraw/zinc/31/21/90/591312190.db2.gz SCMNZDQLSPURKM-HOTGVXAUSA-N 2 2 349.479 1.351 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)[nH+]cn1 ZINC000894436311 591312192 /nfs/dbraw/zinc/31/21/92/591312192.db2.gz SCMNZDQLSPURKM-HOTGVXAUSA-N 2 2 349.479 1.351 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866948030 591383309 /nfs/dbraw/zinc/38/33/09/591383309.db2.gz FUMLQPPRWCYJCO-JXMROGBWSA-N 2 2 345.487 1.902 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866948030 591383313 /nfs/dbraw/zinc/38/33/13/591383313.db2.gz FUMLQPPRWCYJCO-JXMROGBWSA-N 2 2 345.487 1.902 20 0 EDADLP C/C(=C\C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)C[NH+]1CCOCC1 ZINC000909411987 591445926 /nfs/dbraw/zinc/44/59/26/591445926.db2.gz SGFFINKEDHVYFT-IYICPGQYSA-N 2 2 329.444 1.438 20 0 EDADLP C[C@H]1CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC[N@@H+]1CC(C)(C)O ZINC000897500477 591503299 /nfs/dbraw/zinc/50/32/99/591503299.db2.gz WRMBRZZOMMWWIB-XJKSGUPXSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@H]1CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC[N@H+]1CC(C)(C)O ZINC000897500477 591503307 /nfs/dbraw/zinc/50/33/07/591503307.db2.gz WRMBRZZOMMWWIB-XJKSGUPXSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC[NH+]1CC(C)(C)O ZINC000897500477 591503311 /nfs/dbraw/zinc/50/33/11/591503311.db2.gz WRMBRZZOMMWWIB-XJKSGUPXSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC[NH+]1CC(C)(C)O ZINC000897500477 591503314 /nfs/dbraw/zinc/50/33/14/591503314.db2.gz WRMBRZZOMMWWIB-XJKSGUPXSA-N 2 2 349.479 1.094 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000896619009 591555309 /nfs/dbraw/zinc/55/53/09/591555309.db2.gz IJMWLEGMKQGCPB-DOMZBBRYSA-N 2 2 349.385 1.791 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000896619009 591555311 /nfs/dbraw/zinc/55/53/11/591555311.db2.gz IJMWLEGMKQGCPB-DOMZBBRYSA-N 2 2 349.385 1.791 20 0 EDADLP Cc1cc[nH+]c(N)c1C[NH+]1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000896745137 591601043 /nfs/dbraw/zinc/60/10/43/591601043.db2.gz REABWIKACKJRGQ-UHFFFAOYSA-N 2 2 338.415 1.876 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(c3nc(C(C)C)cc(=O)[nH]3)C2)n1C ZINC000897707326 591627578 /nfs/dbraw/zinc/62/75/78/591627578.db2.gz ZZTFKMNWPWJCPT-ZDUSSCGKSA-N 2 2 330.436 1.716 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000898993369 591633331 /nfs/dbraw/zinc/63/33/31/591633331.db2.gz HEULVKPMVUTVNM-ULQDDVLXSA-N 2 2 340.512 1.467 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)COCC2 ZINC000895232705 591670007 /nfs/dbraw/zinc/67/00/07/591670007.db2.gz CBBGYCMVSKYYMV-HNNXBMFYSA-N 2 2 334.464 1.180 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C[C@]2(C)C1 ZINC000896913887 591677385 /nfs/dbraw/zinc/67/73/85/591677385.db2.gz WTJICPHNLMQMML-RKVPGOIHSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1C[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C[C@]2(C)C1 ZINC000896913887 591677389 /nfs/dbraw/zinc/67/73/89/591677389.db2.gz WTJICPHNLMQMML-RKVPGOIHSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)C[C@]2(C)C1 ZINC000896913887 591677392 /nfs/dbraw/zinc/67/73/92/591677392.db2.gz WTJICPHNLMQMML-RKVPGOIHSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1C[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)C[C@]2(C)C1 ZINC000896913887 591677396 /nfs/dbraw/zinc/67/73/96/591677396.db2.gz WTJICPHNLMQMML-RKVPGOIHSA-N 2 2 331.464 1.216 20 0 EDADLP CN(C(=O)[C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989920 591702792 /nfs/dbraw/zinc/70/27/92/591702792.db2.gz XWDCDGFGIBBVDH-AEFFLSMTSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@@H]1CCOC2(CCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989920 591702794 /nfs/dbraw/zinc/70/27/94/591702794.db2.gz XWDCDGFGIBBVDH-AEFFLSMTSA-N 2 2 349.519 1.963 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c[nH+]1 ZINC000897055645 591725044 /nfs/dbraw/zinc/72/50/44/591725044.db2.gz BFDJHBNDWRWCQB-SJORKVTESA-N 2 2 348.491 1.811 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)[nH]c1C(C)C ZINC000895417286 591750260 /nfs/dbraw/zinc/75/02/60/591750260.db2.gz WKEBOXYUHLUEFF-ZDUSSCGKSA-N 2 2 337.464 1.860 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)[nH]c1C(C)C ZINC000895417286 591750262 /nfs/dbraw/zinc/75/02/62/591750262.db2.gz WKEBOXYUHLUEFF-ZDUSSCGKSA-N 2 2 337.464 1.860 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)c1ccco1 ZINC000895456511 591763345 /nfs/dbraw/zinc/76/33/45/591763345.db2.gz FVAXCCIHQSFGHQ-HUUCEWRRSA-N 2 2 331.420 1.802 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)c1ccco1 ZINC000895456511 591763348 /nfs/dbraw/zinc/76/33/48/591763348.db2.gz FVAXCCIHQSFGHQ-HUUCEWRRSA-N 2 2 331.420 1.802 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)c1ccco1 ZINC000895456511 591763351 /nfs/dbraw/zinc/76/33/51/591763351.db2.gz FVAXCCIHQSFGHQ-HUUCEWRRSA-N 2 2 331.420 1.802 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)c1ccco1 ZINC000895456511 591763354 /nfs/dbraw/zinc/76/33/54/591763354.db2.gz FVAXCCIHQSFGHQ-HUUCEWRRSA-N 2 2 331.420 1.802 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)Nc2nc3c(s2)C[NH+](C)CC3)n[nH]1 ZINC000895484376 591778568 /nfs/dbraw/zinc/77/85/68/591778568.db2.gz WSLOUFNPABBKFI-CYBMUJFWSA-N 2 2 346.460 1.873 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)Nc2nc3c(s2)C[NH+](C)CC3)n[nH]1 ZINC000895484376 591778571 /nfs/dbraw/zinc/77/85/71/591778571.db2.gz WSLOUFNPABBKFI-CYBMUJFWSA-N 2 2 346.460 1.873 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)n[nH]1 ZINC000895484376 591778574 /nfs/dbraw/zinc/77/85/74/591778574.db2.gz WSLOUFNPABBKFI-CYBMUJFWSA-N 2 2 346.460 1.873 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)n[nH]1 ZINC000895484376 591778575 /nfs/dbraw/zinc/77/85/75/591778575.db2.gz WSLOUFNPABBKFI-CYBMUJFWSA-N 2 2 346.460 1.873 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000895551240 591797841 /nfs/dbraw/zinc/79/78/41/591797841.db2.gz GSCBSORFZZFDCO-UHFFFAOYSA-N 2 2 331.464 1.135 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000899972960 591845637 /nfs/dbraw/zinc/84/56/37/591845637.db2.gz VIKMVUHGLQMTBW-IEBWSBKVSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000899972960 591845642 /nfs/dbraw/zinc/84/56/42/591845642.db2.gz VIKMVUHGLQMTBW-IEBWSBKVSA-N 2 2 331.460 1.094 20 0 EDADLP C/C(=C\C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900013267 591862838 /nfs/dbraw/zinc/86/28/38/591862838.db2.gz INWZBGCHCMHFFL-HAZIXKIPSA-N 2 2 349.450 1.823 20 0 EDADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000897345815 591872430 /nfs/dbraw/zinc/87/24/30/591872430.db2.gz PNMQTQDNEBUFHX-KRWDZBQOSA-N 2 2 330.476 1.940 20 0 EDADLP Cc1ccc(C(=O)NCC[N@H+](C)CCO)cc1Oc1cc[nH+]cc1 ZINC000899733853 591929873 /nfs/dbraw/zinc/92/98/73/591929873.db2.gz LBENREXHRUQDHD-UHFFFAOYSA-N 2 2 329.400 1.836 20 0 EDADLP Cc1ccc(C(=O)NCC[N@@H+](C)CCO)cc1Oc1cc[nH+]cc1 ZINC000899733853 591929874 /nfs/dbraw/zinc/92/98/74/591929874.db2.gz LBENREXHRUQDHD-UHFFFAOYSA-N 2 2 329.400 1.836 20 0 EDADLP C[C@H](CNC(=O)Cc1c[nH+]c[nH]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000900199761 591948240 /nfs/dbraw/zinc/94/82/40/591948240.db2.gz ZZUGQVKDHLGPKS-OAHLLOKOSA-N 2 2 327.432 1.279 20 0 EDADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000900199761 591948242 /nfs/dbraw/zinc/94/82/42/591948242.db2.gz ZZUGQVKDHLGPKS-OAHLLOKOSA-N 2 2 327.432 1.279 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000900223508 591955028 /nfs/dbraw/zinc/95/50/28/591955028.db2.gz VYJAMEFKELOELN-MAUKXSAKSA-N 2 2 332.448 1.143 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000900223508 591955031 /nfs/dbraw/zinc/95/50/31/591955031.db2.gz VYJAMEFKELOELN-MAUKXSAKSA-N 2 2 332.448 1.143 20 0 EDADLP CCn1c[nH+]c(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000902372170 591981713 /nfs/dbraw/zinc/98/17/13/591981713.db2.gz VGCLIEPKOHBXBR-UHFFFAOYSA-N 2 2 329.404 1.985 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902375221 591982674 /nfs/dbraw/zinc/98/26/74/591982674.db2.gz BLJCEZIFHDLHLI-SOLBZPMBSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902375221 591982677 /nfs/dbraw/zinc/98/26/77/591982677.db2.gz BLJCEZIFHDLHLI-SOLBZPMBSA-N 2 2 344.459 1.577 20 0 EDADLP CC(C)c1nc(NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)nc(N(C)C)[nH+]1 ZINC000900362634 591995525 /nfs/dbraw/zinc/99/55/25/591995525.db2.gz OZXDPKDHIPYYHP-LBPRGKRZSA-N 2 2 348.451 1.158 20 0 EDADLP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000902501064 592003117 /nfs/dbraw/zinc/00/31/17/592003117.db2.gz HRRRFWVWSPJZOH-IJXRJRJASA-N 3 2 343.471 1.599 20 0 EDADLP CC(C)(C[NH3+])C1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000900409394 592010623 /nfs/dbraw/zinc/01/06/23/592010623.db2.gz NPKIZKHEQJNSHA-HNNXBMFYSA-N 2 2 347.507 1.887 20 0 EDADLP CC(C)(C[NH3+])C1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000900409394 592010625 /nfs/dbraw/zinc/01/06/25/592010625.db2.gz NPKIZKHEQJNSHA-HNNXBMFYSA-N 2 2 347.507 1.887 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900410291 592010785 /nfs/dbraw/zinc/01/07/85/592010785.db2.gz SWGLLZCOTUPZEZ-CVEARBPZSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900410291 592010787 /nfs/dbraw/zinc/01/07/87/592010787.db2.gz SWGLLZCOTUPZEZ-CVEARBPZSA-N 2 2 325.416 1.900 20 0 EDADLP [NH3+]CC1([C@H]2CCCCN2c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCC1 ZINC000900421589 592014553 /nfs/dbraw/zinc/01/45/53/592014553.db2.gz DTNJQUWZSSXJSC-HZPDHXFCSA-N 2 2 345.491 1.926 20 0 EDADLP [NH3+]CC1([C@H]2CCCCN2c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCC1 ZINC000900421589 592014556 /nfs/dbraw/zinc/01/45/56/592014556.db2.gz DTNJQUWZSSXJSC-HZPDHXFCSA-N 2 2 345.491 1.926 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3cn(C)nn3)c2cc1C ZINC000902868460 592074937 /nfs/dbraw/zinc/07/49/37/592074937.db2.gz LSODLGKHZJLCKG-ZIAGYGMSSA-N 2 2 328.420 1.493 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900648884 592080230 /nfs/dbraw/zinc/08/02/30/592080230.db2.gz ZLMQGNKTLAYCCV-KRWDZBQOSA-N 2 2 327.432 1.860 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900648884 592080231 /nfs/dbraw/zinc/08/02/31/592080231.db2.gz ZLMQGNKTLAYCCV-KRWDZBQOSA-N 2 2 327.432 1.860 20 0 EDADLP CNc1nc(C)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668370 592085993 /nfs/dbraw/zinc/08/59/93/592085993.db2.gz AJVDUOIHJSQFMT-MRXNPFEDSA-N 2 2 345.491 1.672 20 0 EDADLP CNc1nc(C)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668370 592085996 /nfs/dbraw/zinc/08/59/96/592085996.db2.gz AJVDUOIHJSQFMT-MRXNPFEDSA-N 2 2 345.491 1.672 20 0 EDADLP CO[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000903185021 592132469 /nfs/dbraw/zinc/13/24/69/592132469.db2.gz BWSFUAWTNDTLLA-AHEZYBDSSA-N 2 2 332.448 1.772 20 0 EDADLP C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883779 592156383 /nfs/dbraw/zinc/15/63/83/592156383.db2.gz SULQLIBHCLLFSJ-FDQGKXFDSA-N 2 2 328.416 1.505 20 0 EDADLP C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883779 592156385 /nfs/dbraw/zinc/15/63/85/592156385.db2.gz SULQLIBHCLLFSJ-FDQGKXFDSA-N 2 2 328.416 1.505 20 0 EDADLP C/C(=C/C(=O)NCCc1cn2cccc(C)c2[nH+]1)C[NH+]1CCOCC1 ZINC000900923136 592164027 /nfs/dbraw/zinc/16/40/27/592164027.db2.gz LEVHNKDAORTTKV-QINSGFPZSA-N 2 2 342.443 1.580 20 0 EDADLP O=C(C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1)N1CCCc2ccccc21 ZINC000903444050 592172967 /nfs/dbraw/zinc/17/29/67/592172967.db2.gz OJXYDWKOGZIUAV-GOSISDBHSA-N 2 2 342.487 1.335 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000903470331 592175329 /nfs/dbraw/zinc/17/53/29/592175329.db2.gz LEGCAQCVXPKIPI-GOSISDBHSA-N 2 2 342.487 1.518 20 0 EDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nccn1CC(F)(F)F)C2 ZINC000903492282 592184894 /nfs/dbraw/zinc/18/48/94/592184894.db2.gz AHISTEMCJBWHMP-WDMOLILDSA-N 2 2 346.353 1.158 20 0 EDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1nccn1CC(F)(F)F)C2 ZINC000903492282 592184895 /nfs/dbraw/zinc/18/48/95/592184895.db2.gz AHISTEMCJBWHMP-WDMOLILDSA-N 2 2 346.353 1.158 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)/C=C\c2cccc(Cl)c2)CC1 ZINC000903564546 592211523 /nfs/dbraw/zinc/21/15/23/592211523.db2.gz ZBHHSMMYSXJYRN-WDZFZDKYSA-N 2 2 343.880 1.653 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000903565606 592212130 /nfs/dbraw/zinc/21/21/30/592212130.db2.gz NOESIGOWQPDMJD-UHFFFAOYSA-N 2 2 349.859 1.322 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000903565200 592212236 /nfs/dbraw/zinc/21/22/36/592212236.db2.gz GAJRMUGPTAPEEV-UHFFFAOYSA-N 2 2 331.869 1.183 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000903565051 592212394 /nfs/dbraw/zinc/21/23/94/592212394.db2.gz DQPKJPFFOANLHD-OCCSQVGLSA-N 2 2 329.238 1.833 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000901157517 592266024 /nfs/dbraw/zinc/26/60/24/592266024.db2.gz LULNQQUUGPFEMX-LSDHHAIUSA-N 2 2 348.447 1.152 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000901157517 592266026 /nfs/dbraw/zinc/26/60/26/592266026.db2.gz LULNQQUUGPFEMX-LSDHHAIUSA-N 2 2 348.447 1.152 20 0 EDADLP C[NH+]1CCC(Oc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2)CC1 ZINC000908082337 592291936 /nfs/dbraw/zinc/29/19/36/592291936.db2.gz HZQIRZZJXJZWKS-UHFFFAOYSA-N 2 2 328.416 1.742 20 0 EDADLP C[NH+]1CCC(Oc2ccc(CNC(=O)Cc3c[nH+]c[nH]3)cc2)CC1 ZINC000908082337 592291938 /nfs/dbraw/zinc/29/19/38/592291938.db2.gz HZQIRZZJXJZWKS-UHFFFAOYSA-N 2 2 328.416 1.742 20 0 EDADLP CCn1cc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)nn1 ZINC000903745442 592292094 /nfs/dbraw/zinc/29/20/94/592292094.db2.gz HOBYVJJMMWYXQZ-HNNXBMFYSA-N 2 2 329.452 1.176 20 0 EDADLP CCO[C@@H](C)c1noc(C[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903735172 592297495 /nfs/dbraw/zinc/29/74/95/592297495.db2.gz YJDZUNKNQJUXQI-KBPBESRZSA-N 2 2 338.452 1.758 20 0 EDADLP CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903735172 592297500 /nfs/dbraw/zinc/29/75/00/592297500.db2.gz YJDZUNKNQJUXQI-KBPBESRZSA-N 2 2 338.452 1.758 20 0 EDADLP [NH3+][C@]1(c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)C[C@H]1c1ccccc1 ZINC000904640005 592302023 /nfs/dbraw/zinc/30/20/23/592302023.db2.gz XIWIBQPNIPQMJW-LDDOYCOJSA-N 2 2 326.400 1.947 20 0 EDADLP [NH3+][C@]1(c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)C[C@H]1c1ccccc1 ZINC000904640005 592302028 /nfs/dbraw/zinc/30/20/28/592302028.db2.gz XIWIBQPNIPQMJW-LDDOYCOJSA-N 2 2 326.400 1.947 20 0 EDADLP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000903740045 592302351 /nfs/dbraw/zinc/30/23/51/592302351.db2.gz BXIJAVGSDFMTKI-RBUKOAKNSA-N 3 2 347.507 1.048 20 0 EDADLP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000903740045 592302357 /nfs/dbraw/zinc/30/23/57/592302357.db2.gz BXIJAVGSDFMTKI-RBUKOAKNSA-N 3 2 347.507 1.048 20 0 EDADLP O=S(=O)(CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903785372 592321996 /nfs/dbraw/zinc/32/19/96/592321996.db2.gz YVKHXJDDEFGJAR-KRWDZBQOSA-N 2 2 337.489 1.894 20 0 EDADLP O=S(=O)(CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903785372 592321999 /nfs/dbraw/zinc/32/19/99/592321999.db2.gz YVKHXJDDEFGJAR-KRWDZBQOSA-N 2 2 337.489 1.894 20 0 EDADLP CN(C)c1cc(-c2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc2)cc[nH+]1 ZINC000904851561 592334480 /nfs/dbraw/zinc/33/44/80/592334480.db2.gz ULFLINXOKLFLEO-UHFFFAOYSA-N 2 2 346.456 1.409 20 0 EDADLP COc1cnc([C@@H]2CCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)[nH]c1=O ZINC000903829792 592335184 /nfs/dbraw/zinc/33/51/84/592335184.db2.gz KQLHICWCQIFYGX-KBPBESRZSA-N 2 2 348.447 1.486 20 0 EDADLP COc1cnc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)[nH]c1=O ZINC000903829792 592335189 /nfs/dbraw/zinc/33/51/89/592335189.db2.gz KQLHICWCQIFYGX-KBPBESRZSA-N 2 2 348.447 1.486 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)C1 ZINC000906806114 592354082 /nfs/dbraw/zinc/35/40/82/592354082.db2.gz IGSUCJZEZQTPAZ-CABCVRRESA-N 2 2 338.521 1.744 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)C1 ZINC000906806114 592354088 /nfs/dbraw/zinc/35/40/88/592354088.db2.gz IGSUCJZEZQTPAZ-CABCVRRESA-N 2 2 338.521 1.744 20 0 EDADLP COCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903873788 592355195 /nfs/dbraw/zinc/35/51/95/592355195.db2.gz XRISCLINHWKSJM-QGZVFWFLSA-N 2 2 329.448 1.851 20 0 EDADLP COCC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903873788 592355199 /nfs/dbraw/zinc/35/51/99/592355199.db2.gz XRISCLINHWKSJM-QGZVFWFLSA-N 2 2 329.448 1.851 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@H](c3ccccc3)C2)cnn1C ZINC000903878337 592359337 /nfs/dbraw/zinc/35/93/37/592359337.db2.gz GPVJVTGYJORCRU-APWZRJJASA-N 2 2 328.460 1.919 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@H](c3ccccc3)C2)cnn1C ZINC000903878337 592359341 /nfs/dbraw/zinc/35/93/41/592359341.db2.gz GPVJVTGYJORCRU-APWZRJJASA-N 2 2 328.460 1.919 20 0 EDADLP CN1C[C@H](CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1=O ZINC000905012940 592368135 /nfs/dbraw/zinc/36/81/35/592368135.db2.gz HPJNVCQCAWIHPH-GFCCVEGCSA-N 2 2 337.387 1.491 20 0 EDADLP [NH3+]CCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903905186 592372708 /nfs/dbraw/zinc/37/27/08/592372708.db2.gz AJHHEPFIJVYNHU-QGZVFWFLSA-N 3 2 328.464 1.554 20 0 EDADLP [NH3+]CCC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903905186 592372713 /nfs/dbraw/zinc/37/27/13/592372713.db2.gz AJHHEPFIJVYNHU-QGZVFWFLSA-N 3 2 328.464 1.554 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnn1C ZINC000903934186 592386346 /nfs/dbraw/zinc/38/63/46/592386346.db2.gz DCYOYJRZJPDQSP-SNPRPXQTSA-N 3 2 347.429 1.305 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnn1C ZINC000903934186 592386350 /nfs/dbraw/zinc/38/63/50/592386350.db2.gz DCYOYJRZJPDQSP-SNPRPXQTSA-N 3 2 347.429 1.305 20 0 EDADLP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903917024 592388788 /nfs/dbraw/zinc/38/87/88/592388788.db2.gz JPVULWGTRRQQDF-KRWDZBQOSA-N 3 2 329.488 1.877 20 0 EDADLP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903917024 592388790 /nfs/dbraw/zinc/38/87/90/592388790.db2.gz JPVULWGTRRQQDF-KRWDZBQOSA-N 3 2 329.488 1.877 20 0 EDADLP Cc1ccc([C@H](C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)[NH+]2CCCC2)cc1 ZINC000905075505 592403445 /nfs/dbraw/zinc/40/34/45/592403445.db2.gz ITMMSPQYXLOJLI-AABGKKOBSA-N 2 2 348.487 1.624 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NCCCn1cc[nH+]c1)c1cccnc1 ZINC000905152638 592423024 /nfs/dbraw/zinc/42/30/24/592423024.db2.gz SLDQCROZLGFEST-INIZCTEOSA-N 2 2 330.436 1.660 20 0 EDADLP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCCn1cc[nH+]c1)C2 ZINC000905139227 592432914 /nfs/dbraw/zinc/43/29/14/592432914.db2.gz RRCADXQRKGXFMQ-KONPQCLYSA-N 2 2 349.479 1.052 20 0 EDADLP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCCn1cc[nH+]c1)C2 ZINC000905139227 592432920 /nfs/dbraw/zinc/43/29/20/592432920.db2.gz RRCADXQRKGXFMQ-KONPQCLYSA-N 2 2 349.479 1.052 20 0 EDADLP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCCn1cc[nH+]c1)C2 ZINC000905139228 592433107 /nfs/dbraw/zinc/43/31/07/592433107.db2.gz RRCADXQRKGXFMQ-XLMAVXFVSA-N 2 2 349.479 1.052 20 0 EDADLP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCCn1cc[nH+]c1)C2 ZINC000905139228 592433109 /nfs/dbraw/zinc/43/31/09/592433109.db2.gz RRCADXQRKGXFMQ-XLMAVXFVSA-N 2 2 349.479 1.052 20 0 EDADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H](O)CCOCc2ccccc2)CCSC1 ZINC000905147218 592437694 /nfs/dbraw/zinc/43/76/94/592437694.db2.gz JVHIQQKJXPYBRV-ZWKOTPCHSA-N 2 2 338.517 1.981 20 0 EDADLP CC(C)[N@H+]1C[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000906971857 592444216 /nfs/dbraw/zinc/44/42/16/592444216.db2.gz UUGMUAJWPLRVNY-IRXDYDNUSA-N 2 2 348.491 1.279 20 0 EDADLP CC(C)[N@@H+]1C[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000906971857 592444219 /nfs/dbraw/zinc/44/42/19/592444219.db2.gz UUGMUAJWPLRVNY-IRXDYDNUSA-N 2 2 348.491 1.279 20 0 EDADLP NC(=O)[C@H]([NH2+][C@H]1CCc2[nH+]cc(Br)n2C1)c1ccccc1 ZINC000901727215 592445096 /nfs/dbraw/zinc/44/50/96/592445096.db2.gz DUDANZPVGUETKX-SMDDNHRTSA-N 2 2 349.232 1.777 20 0 EDADLP C[C@]1(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)CCC[NH2+]C1 ZINC000904305389 592472776 /nfs/dbraw/zinc/47/27/76/592472776.db2.gz MXKCMYBCJJWBMN-IBGZPJMESA-N 2 2 327.476 1.842 20 0 EDADLP COCC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000905305204 592499250 /nfs/dbraw/zinc/49/92/50/592499250.db2.gz RTRFLBNZSNRGLN-HNNXBMFYSA-N 2 2 332.404 1.605 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000905359233 592506017 /nfs/dbraw/zinc/50/60/17/592506017.db2.gz RUDYGCMYICDXHO-SFHVURJKSA-N 2 2 330.476 1.848 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000905359233 592506020 /nfs/dbraw/zinc/50/60/20/592506020.db2.gz RUDYGCMYICDXHO-SFHVURJKSA-N 2 2 330.476 1.848 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000905379659 592519988 /nfs/dbraw/zinc/51/99/88/592519988.db2.gz XOLAMGLQWYYEBD-INIZCTEOSA-N 2 2 334.464 1.034 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000905379659 592519989 /nfs/dbraw/zinc/51/99/89/592519989.db2.gz XOLAMGLQWYYEBD-INIZCTEOSA-N 2 2 334.464 1.034 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1CCCO1 ZINC000907132430 592524846 /nfs/dbraw/zinc/52/48/46/592524846.db2.gz NHIHRWYPOAGGMY-WKUFJEKOSA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@@H]1CCCO1 ZINC000907132430 592524849 /nfs/dbraw/zinc/52/48/49/592524849.db2.gz NHIHRWYPOAGGMY-WKUFJEKOSA-N 2 2 335.492 1.571 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](CO)C[C@@H]3CCCO3)c2cc1C ZINC000905474066 592536415 /nfs/dbraw/zinc/53/64/15/592536415.db2.gz OEICMLOIXPIVPM-ZACQAIPSSA-N 2 2 347.459 1.534 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC2(CCC2)CO1)C[N@@H+]1CCc2ccccc2C1 ZINC000905471975 592544463 /nfs/dbraw/zinc/54/44/63/592544463.db2.gz FEWQFBJTIJDAPO-RBUKOAKNSA-N 2 2 330.472 1.954 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC2(CCC2)CO1)C[N@H+]1CCc2ccccc2C1 ZINC000905471975 592544466 /nfs/dbraw/zinc/54/44/66/592544466.db2.gz FEWQFBJTIJDAPO-RBUKOAKNSA-N 2 2 330.472 1.954 20 0 EDADLP CC(C)(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[NH+]1CCCCC1 ZINC000905605669 592576072 /nfs/dbraw/zinc/57/60/72/592576072.db2.gz UAUIRVXMRUQUGS-UHFFFAOYSA-N 2 2 346.475 1.799 20 0 EDADLP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc(F)c1 ZINC000905620784 592587897 /nfs/dbraw/zinc/58/78/97/592587897.db2.gz XEJLJBHABDTEAV-KRWDZBQOSA-N 2 2 335.423 1.997 20 0 EDADLP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)Nc1cccc(F)c1 ZINC000905620784 592587900 /nfs/dbraw/zinc/58/79/00/592587900.db2.gz XEJLJBHABDTEAV-KRWDZBQOSA-N 2 2 335.423 1.997 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)nc[nH+]2)C1 ZINC000905710918 592619564 /nfs/dbraw/zinc/61/95/64/592619564.db2.gz PWXNZWWBQAHHMD-IRCOFANPSA-N 2 2 345.369 1.010 20 0 EDADLP CC[C@](O)(C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)C(F)(F)F ZINC000905936857 592689187 /nfs/dbraw/zinc/68/91/87/592689187.db2.gz YQJLKLDCZSVGLQ-HNNXBMFYSA-N 2 2 348.413 1.983 20 0 EDADLP CC[C@](O)(C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)C(F)(F)F ZINC000905936857 592689189 /nfs/dbraw/zinc/68/91/89/592689189.db2.gz YQJLKLDCZSVGLQ-HNNXBMFYSA-N 2 2 348.413 1.983 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@H](O)C3(O)CCCC3)CC2)S1 ZINC000905943930 592695441 /nfs/dbraw/zinc/69/54/41/592695441.db2.gz IOWDPDLSLRNGKN-ZDUSSCGKSA-N 2 2 327.494 1.151 20 0 EDADLP O=C(NC[C@@H]1CCn2cc[nH+]c2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000907561239 592709106 /nfs/dbraw/zinc/70/91/06/592709106.db2.gz PVIOEYJPSHDTIQ-KLAILNCOSA-N 2 2 346.475 1.453 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)NCC[NH+]3CCCCC3)co2)C1 ZINC000906170936 592755320 /nfs/dbraw/zinc/75/53/20/592755320.db2.gz OXSRZZVJVBNYCS-AWEZNQCLSA-N 2 2 336.436 1.111 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NCC[NH+]3CCCCC3)co2)C1 ZINC000906170936 592755323 /nfs/dbraw/zinc/75/53/23/592755323.db2.gz OXSRZZVJVBNYCS-AWEZNQCLSA-N 2 2 336.436 1.111 20 0 EDADLP CN(C)c1cc(NC(=O)C23CC[NH+](CC2)C3)[nH+]cc1Br ZINC000909267478 592790152 /nfs/dbraw/zinc/79/01/52/592790152.db2.gz QAUCJVYCKSJWFN-UHFFFAOYSA-N 2 2 339.237 1.944 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H]3CC[NH+](CC4CC4)C3)co2)C1 ZINC000906618642 592859454 /nfs/dbraw/zinc/85/94/54/592859454.db2.gz ZBVJNADLOWVKHX-CABCVRRESA-N 2 2 348.447 1.109 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H]3CC[NH+](CC4CC4)C3)co2)C1 ZINC000906618642 592859455 /nfs/dbraw/zinc/85/94/55/592859455.db2.gz ZBVJNADLOWVKHX-CABCVRRESA-N 2 2 348.447 1.109 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)co2)C1 ZINC000906618642 592859456 /nfs/dbraw/zinc/85/94/56/592859456.db2.gz ZBVJNADLOWVKHX-CABCVRRESA-N 2 2 348.447 1.109 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)co2)C1 ZINC000906618642 592859457 /nfs/dbraw/zinc/85/94/57/592859457.db2.gz ZBVJNADLOWVKHX-CABCVRRESA-N 2 2 348.447 1.109 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000911023877 592909030 /nfs/dbraw/zinc/90/90/30/592909030.db2.gz YITCYXKALLTMQP-INIZCTEOSA-N 2 2 346.475 1.133 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000911023877 592909031 /nfs/dbraw/zinc/90/90/31/592909031.db2.gz YITCYXKALLTMQP-INIZCTEOSA-N 2 2 346.475 1.133 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3[C@@H]4C(=O)CC[C@H]34)CC2)CC1 ZINC000911189937 592945825 /nfs/dbraw/zinc/94/58/25/592945825.db2.gz CZISHQTWYRAYPW-RYQLBKOJSA-N 2 2 333.476 1.230 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3[C@@H]4C(=O)CC[C@H]34)CC2)CC1 ZINC000911189937 592945827 /nfs/dbraw/zinc/94/58/27/592945827.db2.gz CZISHQTWYRAYPW-RYQLBKOJSA-N 2 2 333.476 1.230 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736798310 593038480 /nfs/dbraw/zinc/03/84/80/593038480.db2.gz USRJOQWNZQABCV-UHFFFAOYSA-N 2 2 330.436 1.145 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736798310 593038481 /nfs/dbraw/zinc/03/84/81/593038481.db2.gz USRJOQWNZQABCV-UHFFFAOYSA-N 2 2 330.436 1.145 20 0 EDADLP Cc1cc(NC(=O)C[NH2+]CC[NH3+])n(-c2ccccc2C(F)(F)F)n1 ZINC000911991412 593046487 /nfs/dbraw/zinc/04/64/87/593046487.db2.gz DPVJPFQDOPDSAR-UHFFFAOYSA-N 2 2 341.337 1.686 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1 ZINC000912374393 593091191 /nfs/dbraw/zinc/09/11/91/593091191.db2.gz NIYGAZBWEPQXQO-QUCCMNQESA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1 ZINC000912374393 593091192 /nfs/dbraw/zinc/09/11/92/593091192.db2.gz NIYGAZBWEPQXQO-QUCCMNQESA-N 2 2 343.471 1.870 20 0 EDADLP CC(C)N(Cc1cc(Br)ccc1F)C(=O)C[NH2+]CC[NH3+] ZINC000912424436 593096006 /nfs/dbraw/zinc/09/60/06/593096006.db2.gz UUAKNXSKTAZBDY-UHFFFAOYSA-N 2 2 346.244 1.874 20 0 EDADLP COC(=O)[C@@H]1CC(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000782941659 593130595 /nfs/dbraw/zinc/13/05/95/593130595.db2.gz AVZBWUVBNKCJCU-MRXNPFEDSA-N 2 2 348.447 1.354 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C[C@H]1Cc1ccccc1 ZINC000838634219 593199121 /nfs/dbraw/zinc/19/91/21/593199121.db2.gz MMNDZTQTMWIKJM-SJORKVTESA-N 2 2 339.443 1.896 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C[C@H]1Cc1ccccc1 ZINC000838634219 593199122 /nfs/dbraw/zinc/19/91/22/593199122.db2.gz MMNDZTQTMWIKJM-SJORKVTESA-N 2 2 339.443 1.896 20 0 EDADLP CCn1ncc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)n1 ZINC000838891075 593234383 /nfs/dbraw/zinc/23/43/83/593234383.db2.gz OXFOFVREHNUFTP-OAHLLOKOSA-N 2 2 334.493 1.438 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000839005723 593250865 /nfs/dbraw/zinc/25/08/65/593250865.db2.gz XERHUFPFRMNZTL-KRWDZBQOSA-N 3 2 340.471 1.814 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@H]21 ZINC000802734837 593274627 /nfs/dbraw/zinc/27/46/27/593274627.db2.gz VEFXHPYBEWVLFM-OGWOLHLISA-N 2 2 348.491 1.861 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@H]21 ZINC000802734837 593274628 /nfs/dbraw/zinc/27/46/28/593274628.db2.gz VEFXHPYBEWVLFM-OGWOLHLISA-N 2 2 348.491 1.861 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@H]21 ZINC000802734837 593274630 /nfs/dbraw/zinc/27/46/30/593274630.db2.gz VEFXHPYBEWVLFM-OGWOLHLISA-N 2 2 348.491 1.861 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@H]21 ZINC000802734837 593274631 /nfs/dbraw/zinc/27/46/31/593274631.db2.gz VEFXHPYBEWVLFM-OGWOLHLISA-N 2 2 348.491 1.861 20 0 EDADLP O=C1CC2(CCC2)C(=O)N1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000840031830 593395681 /nfs/dbraw/zinc/39/56/81/593395681.db2.gz UCAALKXPHKBTLM-HOCLYGCPSA-N 2 2 331.460 1.822 20 0 EDADLP O=C1CC2(CCC2)C(=O)N1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000840031830 593395684 /nfs/dbraw/zinc/39/56/84/593395684.db2.gz UCAALKXPHKBTLM-HOCLYGCPSA-N 2 2 331.460 1.822 20 0 EDADLP O=C1CC2(CCC2)C(=O)N1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000840031830 593395686 /nfs/dbraw/zinc/39/56/86/593395686.db2.gz UCAALKXPHKBTLM-HOCLYGCPSA-N 2 2 331.460 1.822 20 0 EDADLP O=C1CC2(CCC2)C(=O)N1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000840031830 593395688 /nfs/dbraw/zinc/39/56/88/593395688.db2.gz UCAALKXPHKBTLM-HOCLYGCPSA-N 2 2 331.460 1.822 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)C1 ZINC000811758207 593479851 /nfs/dbraw/zinc/47/98/51/593479851.db2.gz FHSDPVWUFNVZQC-WCXIOVBPSA-N 2 2 335.492 1.776 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)C1 ZINC000811758207 593479852 /nfs/dbraw/zinc/47/98/52/593479852.db2.gz FHSDPVWUFNVZQC-WCXIOVBPSA-N 2 2 335.492 1.776 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)C1 ZINC000811758207 593479853 /nfs/dbraw/zinc/47/98/53/593479853.db2.gz FHSDPVWUFNVZQC-WCXIOVBPSA-N 2 2 335.492 1.776 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)C1 ZINC000811758207 593479854 /nfs/dbraw/zinc/47/98/54/593479854.db2.gz FHSDPVWUFNVZQC-WCXIOVBPSA-N 2 2 335.492 1.776 20 0 EDADLP Cn1ncc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1Cl ZINC000816620661 593535629 /nfs/dbraw/zinc/53/56/29/593535629.db2.gz FOGSPDFHPPODPQ-UHFFFAOYSA-N 2 2 327.860 1.155 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3SCCS3)CC2)CC1 ZINC000817657419 593620436 /nfs/dbraw/zinc/62/04/36/593620436.db2.gz YQYVHKUCCQPIAB-UHFFFAOYSA-N 2 2 343.562 1.811 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3SCCS3)CC2)CC1 ZINC000817657419 593620437 /nfs/dbraw/zinc/62/04/37/593620437.db2.gz YQYVHKUCCQPIAB-UHFFFAOYSA-N 2 2 343.562 1.811 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000817775544 593630818 /nfs/dbraw/zinc/63/08/18/593630818.db2.gz RUYNTPVXPXETON-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000817775544 593630820 /nfs/dbraw/zinc/63/08/20/593630820.db2.gz RUYNTPVXPXETON-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817934581 593650241 /nfs/dbraw/zinc/65/02/41/593650241.db2.gz IMOYHBORQNNUOX-LALPHHSUSA-N 2 2 343.265 1.839 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3COC(C)(C)OC3)c2cc1C ZINC000819225816 593745455 /nfs/dbraw/zinc/74/54/55/593745455.db2.gz HDXOPQVEWIXUME-OAHLLOKOSA-N 2 2 333.432 1.755 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cn2)cc1 ZINC000823825494 593868822 /nfs/dbraw/zinc/86/88/22/593868822.db2.gz QFJZSCPGDWBEPN-MJGOQNOKSA-N 2 2 342.443 1.834 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)cn2)cc1 ZINC000823825494 593868826 /nfs/dbraw/zinc/86/88/26/593868826.db2.gz QFJZSCPGDWBEPN-MJGOQNOKSA-N 2 2 342.443 1.834 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821600318 593875821 /nfs/dbraw/zinc/87/58/21/593875821.db2.gz HSNQVRYCWVGHBX-UHFFFAOYSA-N 2 2 348.426 1.284 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821600318 593875823 /nfs/dbraw/zinc/87/58/23/593875823.db2.gz HSNQVRYCWVGHBX-UHFFFAOYSA-N 2 2 348.426 1.284 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H](C)O1 ZINC000820758629 593883495 /nfs/dbraw/zinc/88/34/95/593883495.db2.gz AQAVQGYJTUNSQD-BETUJISGSA-N 2 2 348.426 1.595 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H](C)O1 ZINC000820758629 593883498 /nfs/dbraw/zinc/88/34/98/593883498.db2.gz AQAVQGYJTUNSQD-BETUJISGSA-N 2 2 348.426 1.595 20 0 EDADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821622250 593883814 /nfs/dbraw/zinc/88/38/14/593883814.db2.gz XKPHWTJBKAZIKD-OAHLLOKOSA-N 2 2 327.436 1.129 20 0 EDADLP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821622250 593883817 /nfs/dbraw/zinc/88/38/17/593883817.db2.gz XKPHWTJBKAZIKD-OAHLLOKOSA-N 2 2 327.436 1.129 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824548751 594036540 /nfs/dbraw/zinc/03/65/40/594036540.db2.gz ZFHCHNXWBUYPCY-NSHDSACASA-N 2 2 334.399 1.113 20 0 EDADLP COCC(C)(C)[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000822497807 594057805 /nfs/dbraw/zinc/05/78/05/594057805.db2.gz LWRVFAPRKKIZIO-UHFFFAOYSA-N 2 2 329.448 1.810 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)cc(F)c1O ZINC000824817862 594079338 /nfs/dbraw/zinc/07/93/38/594079338.db2.gz CMPWSRDATIIKDE-NSHDSACASA-N 2 2 329.391 1.672 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)cc(F)c1O ZINC000824817862 594079339 /nfs/dbraw/zinc/07/93/39/594079339.db2.gz CMPWSRDATIIKDE-NSHDSACASA-N 2 2 329.391 1.672 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822930834 594123710 /nfs/dbraw/zinc/12/37/10/594123710.db2.gz IYMWTKMOJPAILJ-HZPDHXFCSA-N 2 2 349.475 1.793 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822930834 594123713 /nfs/dbraw/zinc/12/37/13/594123713.db2.gz IYMWTKMOJPAILJ-HZPDHXFCSA-N 2 2 349.475 1.793 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)CC[NH2+]1 ZINC000825170053 594141167 /nfs/dbraw/zinc/14/11/67/594141167.db2.gz RQRRSNQDODGHDT-GOSISDBHSA-N 2 2 343.471 1.723 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnn(-c3ccccc3)n2)CC1 ZINC000825275419 594159947 /nfs/dbraw/zinc/15/99/47/594159947.db2.gz LSXDWQBBYIYZSX-UHFFFAOYSA-N 2 2 342.491 1.773 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C\COc2ccccc2)CC1 ZINC000829674437 594238366 /nfs/dbraw/zinc/23/83/66/594238366.db2.gz SRJKHQUCUOCSQI-TWGQIWQCSA-N 2 2 331.460 1.764 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)c2cccs2)CC1 ZINC000825795690 594248988 /nfs/dbraw/zinc/24/89/88/594248988.db2.gz OYLDNDSECJNZIE-HUUCEWRRSA-N 2 2 336.505 1.280 20 0 EDADLP C[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826029377 594310303 /nfs/dbraw/zinc/31/03/03/594310303.db2.gz RQJPAMJSEHMXBD-QGZVFWFLSA-N 2 2 341.463 1.125 20 0 EDADLP C[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826029377 594310304 /nfs/dbraw/zinc/31/03/04/594310304.db2.gz RQJPAMJSEHMXBD-QGZVFWFLSA-N 2 2 341.463 1.125 20 0 EDADLP CN1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826029377 594310305 /nfs/dbraw/zinc/31/03/05/594310305.db2.gz RQJPAMJSEHMXBD-QGZVFWFLSA-N 2 2 341.463 1.125 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1C ZINC000827970908 594312870 /nfs/dbraw/zinc/31/28/70/594312870.db2.gz PBTLQCPPPPMRDG-HNNXBMFYSA-N 2 2 343.431 1.758 20 0 EDADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826157939 594353398 /nfs/dbraw/zinc/35/33/98/594353398.db2.gz SELQMFQAMQJZBH-LBPRGKRZSA-N 2 2 336.415 1.625 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826157939 594353401 /nfs/dbraw/zinc/35/34/01/594353401.db2.gz SELQMFQAMQJZBH-LBPRGKRZSA-N 2 2 336.415 1.625 20 0 EDADLP COc1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)cc1-c1nn[nH]n1 ZINC000826202492 594377051 /nfs/dbraw/zinc/37/70/51/594377051.db2.gz BPMHHVGLCKGVIP-UHFFFAOYSA-N 2 2 335.371 1.813 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC000826557686 594525516 /nfs/dbraw/zinc/52/55/16/594525516.db2.gz OGPKGNBQJFYGBF-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000826557686 594525517 /nfs/dbraw/zinc/52/55/17/594525517.db2.gz OGPKGNBQJFYGBF-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC000826557686 594525519 /nfs/dbraw/zinc/52/55/19/594525519.db2.gz OGPKGNBQJFYGBF-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC000826557686 594525520 /nfs/dbraw/zinc/52/55/20/594525520.db2.gz OGPKGNBQJFYGBF-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP O=C(C1C[NH+](C2CCOCC2)C1)N1CCc2[nH+]c[nH]c2C12CCC2 ZINC000829057299 594559447 /nfs/dbraw/zinc/55/94/47/594559447.db2.gz KKWRVUPFCALVFL-UHFFFAOYSA-N 2 2 330.432 1.284 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2F)[C@H](C[NH3+])C1 ZINC000841068303 594846944 /nfs/dbraw/zinc/84/69/44/594846944.db2.gz YSDNWRTZBDSJFJ-CYBMUJFWSA-N 2 2 349.410 1.059 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000841689456 594938111 /nfs/dbraw/zinc/93/81/11/594938111.db2.gz DNEZUQDZDTUZTL-OAHLLOKOSA-N 2 2 330.436 1.782 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000841838037 594961864 /nfs/dbraw/zinc/96/18/64/594961864.db2.gz JKVXSIRNYQHHKL-UHFFFAOYSA-N 2 2 345.491 1.773 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000841838037 594961866 /nfs/dbraw/zinc/96/18/66/594961866.db2.gz JKVXSIRNYQHHKL-UHFFFAOYSA-N 2 2 345.491 1.773 20 0 EDADLP CCc1[nH+]c2ccccc2n1Cc1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000843212107 595037910 /nfs/dbraw/zinc/03/79/10/595037910.db2.gz MQXNLTFJRVGFEJ-GFCCVEGCSA-N 2 2 327.388 1.561 20 0 EDADLP CCC[C@@H](O)[C@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000842227202 595045040 /nfs/dbraw/zinc/04/50/40/595045040.db2.gz SGZUPZGCYWLHQE-RBUKOAKNSA-N 2 2 335.492 1.833 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347115 595081858 /nfs/dbraw/zinc/08/18/58/595081858.db2.gz RLGQKVFXWZGUJN-CVEARBPZSA-N 2 2 346.475 1.521 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843347115 595081861 /nfs/dbraw/zinc/08/18/61/595081861.db2.gz RLGQKVFXWZGUJN-CVEARBPZSA-N 2 2 346.475 1.521 20 0 EDADLP COC(=O)C1=C(C[N@H+](C)CCC[NH3+])N(C)C(=O)N[C@H]1c1ccccc1 ZINC000843351114 595083403 /nfs/dbraw/zinc/08/34/03/595083403.db2.gz GZFNOHHPHLLJSA-INIZCTEOSA-N 2 2 346.431 1.090 20 0 EDADLP COC(=O)C1=C(C[N@@H+](C)CCC[NH3+])N(C)C(=O)N[C@H]1c1ccccc1 ZINC000843351114 595083408 /nfs/dbraw/zinc/08/34/08/595083408.db2.gz GZFNOHHPHLLJSA-INIZCTEOSA-N 2 2 346.431 1.090 20 0 EDADLP CC[N@H+](CCC[NH2+]C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000843356627 595086121 /nfs/dbraw/zinc/08/61/21/595086121.db2.gz TWJUEWKHLGVRDU-UHFFFAOYSA-N 2 2 334.464 1.393 20 0 EDADLP CC[N@@H+](CCC[NH2+]C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000843356627 595086124 /nfs/dbraw/zinc/08/61/24/595086124.db2.gz TWJUEWKHLGVRDU-UHFFFAOYSA-N 2 2 334.464 1.393 20 0 EDADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000843383684 595096005 /nfs/dbraw/zinc/09/60/05/595096005.db2.gz GTQQLUPGNQTTSR-HNNXBMFYSA-N 2 2 342.509 1.248 20 0 EDADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000843383684 595096010 /nfs/dbraw/zinc/09/60/10/595096010.db2.gz GTQQLUPGNQTTSR-HNNXBMFYSA-N 2 2 342.509 1.248 20 0 EDADLP CCOC(=O)C1=C(C[NH2+][C@H](C[NH3+])C2CCCCC2)NC(=O)N[C@H]1C ZINC000842476886 595114898 /nfs/dbraw/zinc/11/48/98/595114898.db2.gz VNQBKBLMCKYYRP-WCQYABFASA-N 2 2 338.452 1.002 20 0 EDADLP COc1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(C)c1OC ZINC000846015436 595122929 /nfs/dbraw/zinc/12/29/29/595122929.db2.gz XJTNDALXEQJBBZ-UHFFFAOYSA-N 2 2 335.448 1.218 20 0 EDADLP COc1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(C)c1OC ZINC000846015436 595122930 /nfs/dbraw/zinc/12/29/30/595122930.db2.gz XJTNDALXEQJBBZ-UHFFFAOYSA-N 2 2 335.448 1.218 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842696619 595172877 /nfs/dbraw/zinc/17/28/77/595172877.db2.gz GVPYQCHAVYFMLS-LBPRGKRZSA-N 2 2 334.645 1.654 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)cnc2Cl)C1 ZINC000842696619 595172879 /nfs/dbraw/zinc/17/28/79/595172879.db2.gz GVPYQCHAVYFMLS-LBPRGKRZSA-N 2 2 334.645 1.654 20 0 EDADLP NC(=O)C1=NO[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842702308 595174358 /nfs/dbraw/zinc/17/43/58/595174358.db2.gz KAAHZDIJRYJFLM-JKSUJKDBSA-N 2 2 342.443 1.403 20 0 EDADLP NC(=O)C1=NO[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842702308 595174361 /nfs/dbraw/zinc/17/43/61/595174361.db2.gz KAAHZDIJRYJFLM-JKSUJKDBSA-N 2 2 342.443 1.403 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000837762548 595189328 /nfs/dbraw/zinc/18/93/28/595189328.db2.gz NAKHYVPNPPGTEF-MRXNPFEDSA-N 2 2 342.447 1.811 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000837762548 595189330 /nfs/dbraw/zinc/18/93/30/595189330.db2.gz NAKHYVPNPPGTEF-MRXNPFEDSA-N 2 2 342.447 1.811 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000843062285 595276980 /nfs/dbraw/zinc/27/69/80/595276980.db2.gz NJMIJXFEFIJPRC-IEBWSBKVSA-N 2 2 345.418 1.263 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)C[N@H+]1CCc2ccccc2C1 ZINC000843062285 595276981 /nfs/dbraw/zinc/27/69/81/595276981.db2.gz NJMIJXFEFIJPRC-IEBWSBKVSA-N 2 2 345.418 1.263 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867431125 595278177 /nfs/dbraw/zinc/27/81/77/595278177.db2.gz ZZGHWZSLUQLESJ-HNTCUJBNSA-N 2 2 343.471 1.512 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000844182343 595294503 /nfs/dbraw/zinc/29/45/03/595294503.db2.gz JPCKONOOSPSDLY-APWZRJJASA-N 2 2 345.487 1.863 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844225695 595309110 /nfs/dbraw/zinc/30/91/10/595309110.db2.gz GCPJMRISXKFANS-MRXNPFEDSA-N 2 2 334.464 1.425 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000846813185 595320565 /nfs/dbraw/zinc/32/05/65/595320565.db2.gz YYLAQPODQPQPQM-QUCCMNQESA-N 2 2 349.519 1.753 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000846813185 595320566 /nfs/dbraw/zinc/32/05/66/595320566.db2.gz YYLAQPODQPQPQM-QUCCMNQESA-N 2 2 349.519 1.753 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000846813185 595320567 /nfs/dbraw/zinc/32/05/67/595320567.db2.gz YYLAQPODQPQPQM-QUCCMNQESA-N 2 2 349.519 1.753 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000846813185 595320568 /nfs/dbraw/zinc/32/05/68/595320568.db2.gz YYLAQPODQPQPQM-QUCCMNQESA-N 2 2 349.519 1.753 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@H]4[C@@H](C3)C4(F)F)C2)CC1 ZINC000844982707 595423295 /nfs/dbraw/zinc/42/32/95/595423295.db2.gz DADIFLWKYXHUQR-BNOWGMLFSA-N 2 2 328.407 1.061 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@H]4[C@@H](C3)C4(F)F)C2)CC1 ZINC000844982707 595423296 /nfs/dbraw/zinc/42/32/96/595423296.db2.gz DADIFLWKYXHUQR-BNOWGMLFSA-N 2 2 328.407 1.061 20 0 EDADLP CN(C)[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1c[nH+]cn1C ZINC000857501821 595537859 /nfs/dbraw/zinc/53/78/59/595537859.db2.gz XXMPXQMVJZAULR-MRXNPFEDSA-N 2 2 333.480 1.357 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC2)c1 ZINC000852865777 595585718 /nfs/dbraw/zinc/58/57/18/595585718.db2.gz OWYASEBLGTXCSR-CZUORRHYSA-N 2 2 346.431 1.004 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852866019 595585764 /nfs/dbraw/zinc/58/57/64/595585764.db2.gz RICYJADBHVVNLC-UHFFFAOYSA-N 2 2 329.444 1.649 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2cccc3[nH+]ccn32)cn1 ZINC000849612548 595596473 /nfs/dbraw/zinc/59/64/73/595596473.db2.gz MNCSDSUCYFMBBM-CABCVRRESA-N 2 2 338.415 1.742 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2cccc3[nH+]ccn32)cn1 ZINC000849612548 595596474 /nfs/dbraw/zinc/59/64/74/595596474.db2.gz MNCSDSUCYFMBBM-CABCVRRESA-N 2 2 338.415 1.742 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H]4COC(=O)[C@@H]4C3)c2cc1C ZINC000860158041 595598776 /nfs/dbraw/zinc/59/87/76/595598776.db2.gz HNWWUGWYMICJJG-RBSFLKMASA-N 2 2 329.400 1.119 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H]4COC(=O)[C@@H]4C3)c2cc1C ZINC000860158041 595598778 /nfs/dbraw/zinc/59/87/78/595598778.db2.gz HNWWUGWYMICJJG-RBSFLKMASA-N 2 2 329.400 1.119 20 0 EDADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000860195165 595609096 /nfs/dbraw/zinc/60/90/96/595609096.db2.gz QDUKAUFCBKWWAE-OAHLLOKOSA-N 2 2 349.460 1.029 20 0 EDADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000860195165 595609099 /nfs/dbraw/zinc/60/90/99/595609099.db2.gz QDUKAUFCBKWWAE-OAHLLOKOSA-N 2 2 349.460 1.029 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@@H]1CCn3c[nH+]cc31)n2C ZINC000857983781 595677036 /nfs/dbraw/zinc/67/70/36/595677036.db2.gz VCKZUMGOSVABII-LLVKDONJSA-N 2 2 325.376 1.106 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000855414757 595704330 /nfs/dbraw/zinc/70/43/30/595704330.db2.gz KWPAYMNWWFJUHA-HNNXBMFYSA-N 2 2 327.856 1.373 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000855414757 595704333 /nfs/dbraw/zinc/70/43/33/595704333.db2.gz KWPAYMNWWFJUHA-HNNXBMFYSA-N 2 2 327.856 1.373 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)n1C ZINC000850071244 595733076 /nfs/dbraw/zinc/73/30/76/595733076.db2.gz OZYKRMSXWGQWOK-ZDUSSCGKSA-N 2 2 331.342 1.392 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000111240522 595740466 /nfs/dbraw/zinc/74/04/66/595740466.db2.gz XNZNEEVWHRKMJD-UHFFFAOYSA-N 2 2 339.480 1.158 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000111240522 595740468 /nfs/dbraw/zinc/74/04/68/595740468.db2.gz XNZNEEVWHRKMJD-UHFFFAOYSA-N 2 2 339.480 1.158 20 0 EDADLP CN1c2ccccc2C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1=O ZINC000850352771 595816011 /nfs/dbraw/zinc/81/60/11/595816011.db2.gz HVEVNKLBWNPCCQ-AWEZNQCLSA-N 2 2 330.457 1.882 20 0 EDADLP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000858546915 595824284 /nfs/dbraw/zinc/82/42/84/595824284.db2.gz BCOJLOWVPPNZDW-MELADBBJSA-N 2 2 334.407 1.400 20 0 EDADLP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000858546915 595824286 /nfs/dbraw/zinc/82/42/86/595824286.db2.gz BCOJLOWVPPNZDW-MELADBBJSA-N 2 2 334.407 1.400 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851740928 595902763 /nfs/dbraw/zinc/90/27/63/595902763.db2.gz BJUVUVDYLBQOBW-SCTDSRPQSA-N 2 2 332.492 1.605 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851740928 595902766 /nfs/dbraw/zinc/90/27/66/595902766.db2.gz BJUVUVDYLBQOBW-SCTDSRPQSA-N 2 2 332.492 1.605 20 0 EDADLP Brc1ncn(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000851854182 595948847 /nfs/dbraw/zinc/94/88/47/595948847.db2.gz OOVUXNGQOSZIIC-UHFFFAOYSA-N 2 2 325.214 1.643 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000851948816 595982270 /nfs/dbraw/zinc/98/22/70/595982270.db2.gz ZZVOSJIEKWPPEH-OAHLLOKOSA-N 2 2 342.447 1.939 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000851948816 595982275 /nfs/dbraw/zinc/98/22/75/595982275.db2.gz ZZVOSJIEKWPPEH-OAHLLOKOSA-N 2 2 342.447 1.939 20 0 EDADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)nc1 ZINC000854231881 596009718 /nfs/dbraw/zinc/00/97/18/596009718.db2.gz KASZKZMFLLYVJY-MRVPVSSYSA-N 2 2 338.209 1.649 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000859356578 596062580 /nfs/dbraw/zinc/06/25/80/596062580.db2.gz SPDRXMIPABNRIE-NVXWUHKLSA-N 2 2 346.475 1.514 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cn(C)nc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000857023610 596142198 /nfs/dbraw/zinc/14/21/98/596142198.db2.gz ZMUQZSOULNBHIP-UKRRQHHQSA-N 2 2 325.888 1.531 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cn(C)nc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000857023610 596142200 /nfs/dbraw/zinc/14/22/00/596142200.db2.gz ZMUQZSOULNBHIP-UKRRQHHQSA-N 2 2 325.888 1.531 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000854725944 596176019 /nfs/dbraw/zinc/17/60/19/596176019.db2.gz CWXMDXFKDGCNFQ-QAPCUYQASA-N 2 2 341.471 1.522 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000854725944 596176021 /nfs/dbraw/zinc/17/60/21/596176021.db2.gz CWXMDXFKDGCNFQ-QAPCUYQASA-N 2 2 341.471 1.522 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)Cc1ccccc1 ZINC000864613491 596282526 /nfs/dbraw/zinc/28/25/26/596282526.db2.gz XFKFQHOHWRVGDW-OTIVFRFGSA-N 2 2 331.460 1.164 20 0 EDADLP COC(=O)/C=C/c1ccc(OCC[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000866683312 596293256 /nfs/dbraw/zinc/29/32/56/596293256.db2.gz RWDNUKFPOVQOMA-QPJJXVBHSA-N 2 2 348.443 1.298 20 0 EDADLP CCOC(=O)c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000862279582 596295047 /nfs/dbraw/zinc/29/50/47/596295047.db2.gz QWVOZFPJTIBZPE-QGZVFWFLSA-N 2 2 347.459 1.991 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000866703925 596300949 /nfs/dbraw/zinc/30/09/49/596300949.db2.gz LZMBAUNCQPAPNY-GOSISDBHSA-N 2 2 328.464 1.918 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000866703925 596300952 /nfs/dbraw/zinc/30/09/52/596300952.db2.gz LZMBAUNCQPAPNY-GOSISDBHSA-N 2 2 328.464 1.918 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000868811910 596314833 /nfs/dbraw/zinc/31/48/33/596314833.db2.gz PADWSPOMOFLFCS-MRXNPFEDSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000868811910 596314840 /nfs/dbraw/zinc/31/48/40/596314840.db2.gz PADWSPOMOFLFCS-MRXNPFEDSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000866761697 596328070 /nfs/dbraw/zinc/32/80/70/596328070.db2.gz VIQTXFUNVDEJKS-DAXSKMNVSA-N 2 2 347.459 1.171 20 0 EDADLP O=C(CC[NH2+]CC1CC1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000870854951 596378479 /nfs/dbraw/zinc/37/84/79/596378479.db2.gz MVNACHADZZTYLP-OAHLLOKOSA-N 2 2 337.489 1.627 20 0 EDADLP O=C(CC[NH2+]CC1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000870855225 596378679 /nfs/dbraw/zinc/37/86/79/596378679.db2.gz HWNSYEKFFPNYOP-UHFFFAOYSA-N 2 2 331.460 1.599 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)CC[NH2+]CC3CC3)c2)CC1 ZINC000870873892 596385626 /nfs/dbraw/zinc/38/56/26/596385626.db2.gz WALRMCXZLWUVHG-UHFFFAOYSA-N 2 2 330.476 1.762 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[NH2+]Cc4ccccc43)CC2)CC1 ZINC000870981723 596428404 /nfs/dbraw/zinc/42/84/04/596428404.db2.gz QWMDEEOHBMWECJ-LJQANCHMSA-N 2 2 342.487 1.112 20 0 EDADLP C[C@H](c1ccccc1F)[C@@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000869243384 596459630 /nfs/dbraw/zinc/45/96/30/596459630.db2.gz QNFPBXAXPQLFHH-RHSMWYFYSA-N 2 2 339.455 1.290 20 0 EDADLP C[C@H](c1ccccc1F)[C@@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000869243384 596459633 /nfs/dbraw/zinc/45/96/33/596459633.db2.gz QNFPBXAXPQLFHH-RHSMWYFYSA-N 2 2 339.455 1.290 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865123141 596484630 /nfs/dbraw/zinc/48/46/30/596484630.db2.gz GIIFPKRRTLMKOD-AWEZNQCLSA-N 2 2 347.450 1.581 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865123141 596484633 /nfs/dbraw/zinc/48/46/33/596484633.db2.gz GIIFPKRRTLMKOD-AWEZNQCLSA-N 2 2 347.450 1.581 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000865138745 596489226 /nfs/dbraw/zinc/48/92/26/596489226.db2.gz JXXKABJHFCXQFD-QPJJXVBHSA-N 2 2 347.459 1.132 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000865177515 596501539 /nfs/dbraw/zinc/50/15/39/596501539.db2.gz IUKPMSCJFIXKNF-INIZCTEOSA-N 2 2 348.422 1.585 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)C[C@@H](C)O1 ZINC000865406306 596564760 /nfs/dbraw/zinc/56/47/60/596564760.db2.gz PFWRSEBDBMPEAK-BFYDXBDKSA-N 2 2 337.468 1.046 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865441026 596575553 /nfs/dbraw/zinc/57/55/53/596575553.db2.gz AOVJQXHAMOSIDA-AWEZNQCLSA-N 2 2 342.846 1.906 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865441026 596575555 /nfs/dbraw/zinc/57/55/55/596575555.db2.gz AOVJQXHAMOSIDA-AWEZNQCLSA-N 2 2 342.846 1.906 20 0 EDADLP c1c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nnn1C[C@H]1CCCO1 ZINC000865462649 596582328 /nfs/dbraw/zinc/58/23/28/596582328.db2.gz ONUWXJNYBRXLJG-QZTJIDSGSA-N 2 2 349.479 1.190 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000867857937 596588351 /nfs/dbraw/zinc/58/83/51/596588351.db2.gz PPUGBQGSPJFNSR-MCIONIFRSA-N 2 2 333.398 1.608 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000867857937 596588353 /nfs/dbraw/zinc/58/83/53/596588353.db2.gz PPUGBQGSPJFNSR-MCIONIFRSA-N 2 2 333.398 1.608 20 0 EDADLP Cn1nc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1Cl ZINC000863545498 596614086 /nfs/dbraw/zinc/61/40/86/596614086.db2.gz UBRPZKJUZQHEAV-UHFFFAOYSA-N 2 2 335.843 1.148 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000863548789 596614759 /nfs/dbraw/zinc/61/47/59/596614759.db2.gz XBPVMWIFXQJKMH-CABCVRRESA-N 2 2 336.823 1.492 20 0 EDADLP Cc1cc(C)c(N2CC[C@@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C2=O)c(C)c1 ZINC000863555939 596617523 /nfs/dbraw/zinc/61/75/23/596617523.db2.gz YMEHYCNOTORUOF-ZWKOTPCHSA-N 2 2 345.487 1.763 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000867998732 596649666 /nfs/dbraw/zinc/64/96/66/596649666.db2.gz ZQWHARNDYOELFE-MSOLQXFVSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000867998732 596649668 /nfs/dbraw/zinc/64/96/68/596649668.db2.gz ZQWHARNDYOELFE-MSOLQXFVSA-N 2 2 331.460 1.312 20 0 EDADLP Cn1cc[nH+]c1N1CCC(Nc2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865722143 596660334 /nfs/dbraw/zinc/66/03/34/596660334.db2.gz DVXUFEUEYOFBKQ-UHFFFAOYSA-N 2 2 331.811 1.848 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3[C@@H]3CCCO3)C2)CC1 ZINC000865749552 596669675 /nfs/dbraw/zinc/66/96/75/596669675.db2.gz FEQKWPUEPARJIW-CJNGLKHVSA-N 2 2 347.463 1.160 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3[C@@H]3CCCO3)C2)CC1 ZINC000865749552 596669677 /nfs/dbraw/zinc/66/96/77/596669677.db2.gz FEQKWPUEPARJIW-CJNGLKHVSA-N 2 2 347.463 1.160 20 0 EDADLP COCC[NH+](CCOC)C1CCN(c2ccc([C@@H](C)O)c[nH+]2)CC1 ZINC000865800747 596689476 /nfs/dbraw/zinc/68/94/76/596689476.db2.gz RNHFYGUJNVPJDB-OAHLLOKOSA-N 2 2 337.464 1.699 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CCOCC1 ZINC000865877642 596708095 /nfs/dbraw/zinc/70/80/95/596708095.db2.gz YKBPXMROULNQSW-ZDUSSCGKSA-N 2 2 333.423 1.191 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CCOCC1 ZINC000865877642 596708097 /nfs/dbraw/zinc/70/80/97/596708097.db2.gz YKBPXMROULNQSW-ZDUSSCGKSA-N 2 2 333.423 1.191 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)Nc3ccc4c(c3)C[NH2+]CCO4)cc2C1 ZINC000868166657 596708138 /nfs/dbraw/zinc/70/81/38/596708138.db2.gz GDQJMDGOTBMMTD-UHFFFAOYSA-N 2 2 342.403 1.455 20 0 EDADLP Cn1ncc(I)c1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000864055606 596746609 /nfs/dbraw/zinc/74/66/09/596746609.db2.gz UABAMKWCRAXDPL-WDEREUQCSA-N 2 2 346.216 1.384 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(O)c1F ZINC000872035756 596798131 /nfs/dbraw/zinc/79/81/31/596798131.db2.gz QLYFMRTZKZQVNP-CABCVRRESA-N 2 2 337.439 1.588 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1C ZINC000872143810 596809254 /nfs/dbraw/zinc/80/92/54/596809254.db2.gz QSJOWPCSPOEWSW-MRXNPFEDSA-N 2 2 345.443 1.178 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1C ZINC000872143810 596809259 /nfs/dbraw/zinc/80/92/59/596809259.db2.gz QSJOWPCSPOEWSW-MRXNPFEDSA-N 2 2 345.443 1.178 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@@H]1C(F)(F)F ZINC000872148267 596811692 /nfs/dbraw/zinc/81/16/92/596811692.db2.gz IRCICYXUGBKCOY-RISCZKNCSA-N 2 2 333.398 1.989 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@@H]1C(F)(F)F ZINC000872148267 596811698 /nfs/dbraw/zinc/81/16/98/596811698.db2.gz IRCICYXUGBKCOY-RISCZKNCSA-N 2 2 333.398 1.989 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CCn2cnc3ccccc3c2=O)C[C@@H]1C(F)(F)F ZINC000872151392 596813571 /nfs/dbraw/zinc/81/35/71/596813571.db2.gz VQYIEUUDLGRQRH-YPMHNXCESA-N 2 2 340.349 1.466 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CCn2cnc3ccccc3c2=O)C[C@@H]1C(F)(F)F ZINC000872151392 596813572 /nfs/dbraw/zinc/81/35/72/596813572.db2.gz VQYIEUUDLGRQRH-YPMHNXCESA-N 2 2 340.349 1.466 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154297 596814902 /nfs/dbraw/zinc/81/49/02/596814902.db2.gz VAWJNYQKIABVSU-KBXCAEBGSA-N 2 2 335.423 1.204 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154297 596814903 /nfs/dbraw/zinc/81/49/03/596814903.db2.gz VAWJNYQKIABVSU-KBXCAEBGSA-N 2 2 335.423 1.204 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872154031 596814961 /nfs/dbraw/zinc/81/49/61/596814961.db2.gz RFJNHEIGNLBPNP-QFBILLFUSA-N 2 2 331.460 1.631 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872154031 596814963 /nfs/dbraw/zinc/81/49/63/596814963.db2.gz RFJNHEIGNLBPNP-QFBILLFUSA-N 2 2 331.460 1.631 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000872217691 596839948 /nfs/dbraw/zinc/83/99/48/596839948.db2.gz DBWCBHIZQOJLJC-KBPBESRZSA-N 2 2 326.412 1.000 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000872217691 596839949 /nfs/dbraw/zinc/83/99/49/596839949.db2.gz DBWCBHIZQOJLJC-KBPBESRZSA-N 2 2 326.412 1.000 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCC[C@H]3CCOC3=O)c2cc1C ZINC000872244475 596852200 /nfs/dbraw/zinc/85/22/00/596852200.db2.gz LRALYNQVWYNDDI-HOTGVXAUSA-N 2 2 345.443 1.947 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000868484246 596856804 /nfs/dbraw/zinc/85/68/04/596856804.db2.gz BDJXLQFHRCPWKD-OTZGOOTISA-N 2 2 345.443 1.080 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000868484246 596856806 /nfs/dbraw/zinc/85/68/06/596856806.db2.gz BDJXLQFHRCPWKD-OTZGOOTISA-N 2 2 345.443 1.080 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000866415271 596880968 /nfs/dbraw/zinc/88/09/68/596880968.db2.gz YWVYUGGDWNBFOQ-ZNMIVQPWSA-N 2 2 341.496 1.867 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000866415271 596880970 /nfs/dbraw/zinc/88/09/70/596880970.db2.gz YWVYUGGDWNBFOQ-ZNMIVQPWSA-N 2 2 341.496 1.867 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000864413692 596886481 /nfs/dbraw/zinc/88/64/81/596886481.db2.gz CQVDZYIMKATSCW-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP COC(=O)c1c2cnn(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)c2ccc1C ZINC000872582824 596976321 /nfs/dbraw/zinc/97/63/21/596976321.db2.gz OPOVRVDTGJOIEB-CQSZACIVSA-N 2 2 330.432 1.972 20 0 EDADLP COC(=O)c1c2cnn(C[N@H+]3CC[C@H](C[NH+](C)C)C3)c2ccc1C ZINC000872582824 596976324 /nfs/dbraw/zinc/97/63/24/596976324.db2.gz OPOVRVDTGJOIEB-CQSZACIVSA-N 2 2 330.432 1.972 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000876109590 597093692 /nfs/dbraw/zinc/09/36/92/597093692.db2.gz PWBFECUEJDDPCR-BHBVFMNGSA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000876109590 597093697 /nfs/dbraw/zinc/09/36/97/597093697.db2.gz PWBFECUEJDDPCR-BHBVFMNGSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000874708670 597153102 /nfs/dbraw/zinc/15/31/02/597153102.db2.gz XUGNTODCKFVPBT-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000874708670 597153103 /nfs/dbraw/zinc/15/31/03/597153103.db2.gz XUGNTODCKFVPBT-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000876270113 597157439 /nfs/dbraw/zinc/15/74/39/597157439.db2.gz SFTYJLATQKHSDU-GDBMZVCRSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000876270113 597157441 /nfs/dbraw/zinc/15/74/41/597157441.db2.gz SFTYJLATQKHSDU-GDBMZVCRSA-N 2 2 348.495 1.291 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@H](C)Cn3cc[nH+]c3)nn2)cc1 ZINC000873013036 597160284 /nfs/dbraw/zinc/16/02/84/597160284.db2.gz RDEYVUONVRJXOW-CQSZACIVSA-N 2 2 326.404 1.710 20 0 EDADLP C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873202426 597225519 /nfs/dbraw/zinc/22/55/19/597225519.db2.gz RCPQNNWHAJOQSX-CYBMUJFWSA-N 2 2 348.516 1.179 20 0 EDADLP CCOC(=O)[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCCOC1 ZINC000873210348 597229061 /nfs/dbraw/zinc/22/90/61/597229061.db2.gz COIAAVGVSFIMPO-WBMJQRKESA-N 2 2 338.473 1.842 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC000875127860 597293099 /nfs/dbraw/zinc/29/30/99/597293099.db2.gz IFMSADVHALIQKJ-AWEZNQCLSA-N 2 2 337.387 1.196 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000875132196 597295130 /nfs/dbraw/zinc/29/51/30/597295130.db2.gz NLNRSNIDGDATKM-MRXNPFEDSA-N 2 2 345.447 1.553 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000875132196 597295132 /nfs/dbraw/zinc/29/51/32/597295132.db2.gz NLNRSNIDGDATKM-MRXNPFEDSA-N 2 2 345.447 1.553 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876752796 597322445 /nfs/dbraw/zinc/32/24/45/597322445.db2.gz ZCKILQXMTUUDER-ZFWWWQNUSA-N 2 2 339.386 1.179 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866529 597363137 /nfs/dbraw/zinc/36/31/37/597363137.db2.gz IGCIIPCSEBSVMT-DTWKUNHWSA-N 2 2 326.269 1.490 20 0 EDADLP CC[C@H](C[C@H](C)O)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875295986 597373157 /nfs/dbraw/zinc/37/31/57/597373157.db2.gz YEGUZSYTNNVQHB-RRFJBIMHSA-N 2 2 326.485 1.004 20 0 EDADLP CC[C@H](C[C@H](C)O)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875295986 597373161 /nfs/dbraw/zinc/37/31/61/597373161.db2.gz YEGUZSYTNNVQHB-RRFJBIMHSA-N 2 2 326.485 1.004 20 0 EDADLP COC(=O)c1[nH]c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000877031732 597417628 /nfs/dbraw/zinc/41/76/28/597417628.db2.gz UQRSCMCPRJIRQQ-INIZCTEOSA-N 2 2 335.448 1.843 20 0 EDADLP CO[C@H]1CC[C@@H](C)N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000875428652 597424372 /nfs/dbraw/zinc/42/43/72/597424372.db2.gz ORRXTVCTSVCRTR-ZBFHGGJFSA-N 2 2 326.485 1.221 20 0 EDADLP CO[C@@H]1CC[C@H](C)N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000875428650 597424574 /nfs/dbraw/zinc/42/45/74/597424574.db2.gz ORRXTVCTSVCRTR-GOEBONIOSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C2)c1 ZINC000877248225 597478484 /nfs/dbraw/zinc/47/84/84/597478484.db2.gz HZZIMPMTTIHDCS-DLBZAZTESA-N 2 2 333.476 1.685 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C2)c1 ZINC000877248225 597478485 /nfs/dbraw/zinc/47/84/85/597478485.db2.gz HZZIMPMTTIHDCS-DLBZAZTESA-N 2 2 333.476 1.685 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000877248613 597478870 /nfs/dbraw/zinc/47/88/70/597478870.db2.gz OFJYJQYFLKOXLX-UYAOXDASSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@]3(C)CCC[NH2+]C3)C2)cc1 ZINC000877248613 597478873 /nfs/dbraw/zinc/47/88/73/597478873.db2.gz OFJYJQYFLKOXLX-UYAOXDASSA-N 2 2 345.487 1.702 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353459 597499052 /nfs/dbraw/zinc/49/90/52/597499052.db2.gz QYZAXQSHYCZQLK-CMKODMSKSA-N 3 2 344.503 1.246 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353459 597499054 /nfs/dbraw/zinc/49/90/54/597499054.db2.gz QYZAXQSHYCZQLK-CMKODMSKSA-N 3 2 344.503 1.246 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)CC2 ZINC000877355467 597499855 /nfs/dbraw/zinc/49/98/55/597499855.db2.gz NSJSCAMNJPUKIF-IJLUTSLNSA-N 2 2 330.354 1.350 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)CC1CCS(=O)(=O)CC1 ZINC000877525018 597530796 /nfs/dbraw/zinc/53/07/96/597530796.db2.gz NVWVCXLAHHHWAQ-QGZVFWFLSA-N 2 2 345.553 1.159 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)CC1CCS(=O)(=O)CC1 ZINC000877525018 597530797 /nfs/dbraw/zinc/53/07/97/597530797.db2.gz NVWVCXLAHHHWAQ-QGZVFWFLSA-N 2 2 345.553 1.159 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)CC1 ZINC000877747598 597552940 /nfs/dbraw/zinc/55/29/40/597552940.db2.gz SWJPJBIMZUDUJU-UHFFFAOYSA-N 3 2 340.475 1.479 20 0 EDADLP C[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000877943712 597565291 /nfs/dbraw/zinc/56/52/91/597565291.db2.gz OUGQCJWBRHRTIL-UHFFFAOYSA-N 2 2 336.505 1.076 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000878118124 597579888 /nfs/dbraw/zinc/57/98/88/597579888.db2.gz GCBLMWUCKFEUBV-ZDUSSCGKSA-N 2 2 337.386 1.240 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000878118124 597579889 /nfs/dbraw/zinc/57/98/89/597579889.db2.gz GCBLMWUCKFEUBV-ZDUSSCGKSA-N 2 2 337.386 1.240 20 0 EDADLP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878518093 597620733 /nfs/dbraw/zinc/62/07/33/597620733.db2.gz HPSGJEQOZMXPGN-SFHVURJKSA-N 2 2 339.480 1.395 20 0 EDADLP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878518093 597620735 /nfs/dbraw/zinc/62/07/35/597620735.db2.gz HPSGJEQOZMXPGN-SFHVURJKSA-N 2 2 339.480 1.395 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883143705 597665943 /nfs/dbraw/zinc/66/59/43/597665943.db2.gz SIDXELLLEWTLAQ-LSDHHAIUSA-N 2 2 328.420 1.587 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cn1 ZINC000878848665 597734218 /nfs/dbraw/zinc/73/42/18/597734218.db2.gz ZREYMLNCAOOTEZ-KRWDZBQOSA-N 2 2 342.447 1.753 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cn1 ZINC000878848665 597734221 /nfs/dbraw/zinc/73/42/21/597734221.db2.gz ZREYMLNCAOOTEZ-KRWDZBQOSA-N 2 2 342.447 1.753 20 0 EDADLP CC1(C)CCC[C@@H](C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)O1 ZINC000883430215 597743959 /nfs/dbraw/zinc/74/39/59/597743959.db2.gz POKWFQDEXDUHPD-HNNXBMFYSA-N 2 2 333.480 1.908 20 0 EDADLP C[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000883448266 597750804 /nfs/dbraw/zinc/75/08/04/597750804.db2.gz ZCCNWOYZLUJAEO-KRWDZBQOSA-N 2 2 330.476 1.187 20 0 EDADLP CCn1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)nn1 ZINC000884002756 597966359 /nfs/dbraw/zinc/96/63/59/597966359.db2.gz YVODZKKQBCENOW-UHFFFAOYSA-N 2 2 348.495 1.064 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N(CC(F)F)C3CCC3)C2)CC1 ZINC000884163751 598011979 /nfs/dbraw/zinc/01/19/79/598011979.db2.gz OVBNANWJYMZAAM-ZDUSSCGKSA-N 2 2 344.450 1.984 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N(CC(F)F)C3CCC3)C2)CC1 ZINC000884163751 598011982 /nfs/dbraw/zinc/01/19/82/598011982.db2.gz OVBNANWJYMZAAM-ZDUSSCGKSA-N 2 2 344.450 1.984 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)Cn1cc[nH+]c1 ZINC000884196479 598023731 /nfs/dbraw/zinc/02/37/31/598023731.db2.gz SAILBGCEUOMCIA-CZUORRHYSA-N 2 2 326.400 1.952 20 0 EDADLP [NH3+]CC1(O)CCN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CC1 ZINC000884346417 598076594 /nfs/dbraw/zinc/07/65/94/598076594.db2.gz KMUDTRWEMJUOMM-UHFFFAOYSA-N 2 2 326.400 1.173 20 0 EDADLP CC(C)c1c[nH]c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000882886407 598096114 /nfs/dbraw/zinc/09/61/14/598096114.db2.gz RYQDPJLDBBYOAU-UHFFFAOYSA-N 2 2 328.464 1.970 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)[C@H]1C ZINC000994297408 696725740 /nfs/dbraw/zinc/72/57/40/696725740.db2.gz GDXPPZPPEWDGDQ-HOCLYGCPSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)[C@H]1C ZINC000994297408 696725742 /nfs/dbraw/zinc/72/57/42/696725742.db2.gz GDXPPZPPEWDGDQ-HOCLYGCPSA-N 2 2 334.464 1.656 20 0 EDADLP CN(C)c1cc[nH+]c(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000914169196 695255336 /nfs/dbraw/zinc/25/53/36/695255336.db2.gz YCHKGPURRJISBX-UHFFFAOYSA-N 2 2 342.447 1.722 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000324174446 695261460 /nfs/dbraw/zinc/26/14/60/695261460.db2.gz GDPPNDITPDHVQP-UHFFFAOYSA-N 2 2 342.424 1.810 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000914196577 695273609 /nfs/dbraw/zinc/27/36/09/695273609.db2.gz ZKOFCSDOEVUHFG-JKSUJKDBSA-N 2 2 349.479 1.556 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@H]2C1 ZINC000992785525 695326146 /nfs/dbraw/zinc/32/61/46/695326146.db2.gz JYFVQZVIXJUOJE-XIRDDKMYSA-N 2 2 343.431 1.678 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ncccn3)[C@H]2C1 ZINC000992829053 695388870 /nfs/dbraw/zinc/38/88/70/695388870.db2.gz CIYYHHLWVAOBKG-CWRNSKLLSA-N 2 2 340.431 1.159 20 0 EDADLP COCc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cs1 ZINC000939855311 699993376 /nfs/dbraw/zinc/99/33/76/699993376.db2.gz DGDNVQUDDMPRNA-TZMCWYRMSA-N 2 2 349.460 1.123 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000915073583 695732534 /nfs/dbraw/zinc/73/25/34/695732534.db2.gz WBWPYBNKJKOJFE-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001031235886 695931066 /nfs/dbraw/zinc/93/10/66/695931066.db2.gz JBKYRMWOWNOZKT-RDTXWAMCSA-N 2 2 335.492 1.476 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2C[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC001031254029 696025758 /nfs/dbraw/zinc/02/57/58/696025758.db2.gz NHNYGORUEHLJNR-PKOBYXMFSA-N 2 2 345.487 1.600 20 0 EDADLP Cc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994403281 696826167 /nfs/dbraw/zinc/82/61/67/696826167.db2.gz BQTCTROYHJDVHM-FUHWJXTLSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994403281 696826170 /nfs/dbraw/zinc/82/61/70/696826170.db2.gz BQTCTROYHJDVHM-FUHWJXTLSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1oncc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994417595 696832890 /nfs/dbraw/zinc/83/28/90/696832890.db2.gz DLOPHVFMILAHFS-BLLLJJGKSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1oncc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994417595 696832893 /nfs/dbraw/zinc/83/28/93/696832893.db2.gz DLOPHVFMILAHFS-BLLLJJGKSA-N 2 2 331.420 1.657 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)nn1 ZINC000994412362 696838306 /nfs/dbraw/zinc/83/83/06/696838306.db2.gz UXZOTBTUGONGSE-HOCLYGCPSA-N 2 2 347.463 1.050 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)nn1 ZINC000994412362 696838308 /nfs/dbraw/zinc/83/83/08/696838308.db2.gz UXZOTBTUGONGSE-HOCLYGCPSA-N 2 2 347.463 1.050 20 0 EDADLP Cc1cccc(NCCNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000917008187 696874965 /nfs/dbraw/zinc/87/49/65/696874965.db2.gz YEZXWZXVVGLZRP-CABCVRRESA-N 2 2 335.452 1.210 20 0 EDADLP O=C1CC2(CCCC2)C(=O)N1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000917460835 697021281 /nfs/dbraw/zinc/02/12/81/697021281.db2.gz IPSAOFJMMLNXSK-UHFFFAOYSA-N 2 2 349.475 1.307 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1F ZINC001031577116 697273153 /nfs/dbraw/zinc/27/31/53/697273153.db2.gz JAZWBZMRPXYLIZ-INIZCTEOSA-N 2 2 335.423 1.477 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1F ZINC001031577116 697273154 /nfs/dbraw/zinc/27/31/54/697273154.db2.gz JAZWBZMRPXYLIZ-INIZCTEOSA-N 2 2 335.423 1.477 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000919836860 697343986 /nfs/dbraw/zinc/34/39/86/697343986.db2.gz JVEIUDQROHSIJC-CVEARBPZSA-N 2 2 349.500 1.532 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000919836860 697343988 /nfs/dbraw/zinc/34/39/88/697343988.db2.gz JVEIUDQROHSIJC-CVEARBPZSA-N 2 2 349.500 1.532 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)C1 ZINC000919836860 697343989 /nfs/dbraw/zinc/34/39/89/697343989.db2.gz JVEIUDQROHSIJC-CVEARBPZSA-N 2 2 349.500 1.532 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)C1 ZINC000919836860 697343991 /nfs/dbraw/zinc/34/39/91/697343991.db2.gz JVEIUDQROHSIJC-CVEARBPZSA-N 2 2 349.500 1.532 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060737641 697350970 /nfs/dbraw/zinc/35/09/70/697350970.db2.gz ZMLJASLAFFBXEI-WKILWMFISA-N 2 2 349.479 1.016 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCCCn1cc[nH+]c1C ZINC000920260531 697413110 /nfs/dbraw/zinc/41/31/10/697413110.db2.gz KFUBDVALAFLTDW-MRXNPFEDSA-N 2 2 337.468 1.382 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000920924963 697491921 /nfs/dbraw/zinc/49/19/21/697491921.db2.gz BCNAQWVYXLNBNZ-GASCZTMLSA-N 2 2 336.480 1.976 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000920924963 697491922 /nfs/dbraw/zinc/49/19/22/697491922.db2.gz BCNAQWVYXLNBNZ-GASCZTMLSA-N 2 2 336.480 1.976 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000921388343 697587921 /nfs/dbraw/zinc/58/79/21/697587921.db2.gz GFGAMYUBZQHQCT-LSDHHAIUSA-N 2 2 328.501 1.373 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2snnc2C)C1 ZINC001031715741 697745954 /nfs/dbraw/zinc/74/59/54/697745954.db2.gz ZZTCGDOPNUYQFZ-CQSZACIVSA-N 2 2 337.493 1.269 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2snnc2C)C1 ZINC001031715741 697745957 /nfs/dbraw/zinc/74/59/57/697745957.db2.gz ZZTCGDOPNUYQFZ-CQSZACIVSA-N 2 2 337.493 1.269 20 0 EDADLP CC1([NH2+]CC2CCOCC2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083718 700177977 /nfs/dbraw/zinc/17/79/77/700177977.db2.gz UIXUXGSQZPXVNK-UHFFFAOYSA-N 2 2 334.464 1.740 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031731507 698112349 /nfs/dbraw/zinc/11/23/49/698112349.db2.gz AXKHBLXXCADTFJ-OAHLLOKOSA-N 2 2 345.472 1.508 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767167 698823050 /nfs/dbraw/zinc/82/30/50/698823050.db2.gz RQAJEBAHAFFCFX-DOMZBBRYSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767167 698823053 /nfs/dbraw/zinc/82/30/53/698823053.db2.gz RQAJEBAHAFFCFX-DOMZBBRYSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995153846 701554789 /nfs/dbraw/zinc/55/47/89/701554789.db2.gz QOJKDQAXRAWOSU-LSDHHAIUSA-N 2 2 327.432 1.730 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001031782789 699204592 /nfs/dbraw/zinc/20/45/92/699204592.db2.gz LYFGQJLNXCQQCH-JKSUJKDBSA-N 2 2 332.448 1.063 20 0 EDADLP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001031783402 699210132 /nfs/dbraw/zinc/21/01/32/699210132.db2.gz WLXUCQZHJSVZJD-HOTGVXAUSA-N 2 2 346.475 1.309 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784962 699220021 /nfs/dbraw/zinc/22/00/21/699220021.db2.gz ZWIGYMXGQULWEM-RDJZCZTQSA-N 2 2 346.475 1.310 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001031802470 699364514 /nfs/dbraw/zinc/36/45/14/699364514.db2.gz RRZBTKDIPSLURD-QGZVFWFLSA-N 2 2 333.480 1.089 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001031802470 699364518 /nfs/dbraw/zinc/36/45/18/699364518.db2.gz RRZBTKDIPSLURD-QGZVFWFLSA-N 2 2 333.480 1.089 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000995162579 701591920 /nfs/dbraw/zinc/59/19/20/701591920.db2.gz UAFQIEMVZSDUJH-ZIAGYGMSSA-N 2 2 347.488 1.802 20 0 EDADLP Cc1nocc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163872 701597164 /nfs/dbraw/zinc/59/71/64/701597164.db2.gz XONKWOAPGCNTRW-DZGCQCFKSA-N 2 2 331.420 1.334 20 0 EDADLP CCOc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)n1 ZINC000939407258 699561737 /nfs/dbraw/zinc/56/17/37/699561737.db2.gz AUPJZAVFQVPFGO-HIFRSBDPSA-N 2 2 343.431 1.383 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000939409144 699563357 /nfs/dbraw/zinc/56/33/57/699563357.db2.gz SBTPBWOODIYJGL-MWLCHTKSSA-N 2 2 339.852 1.699 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cs1 ZINC000939533761 699671760 /nfs/dbraw/zinc/67/17/60/699671760.db2.gz FCBIBSZMFOXBEG-WBMJQRKESA-N 2 2 347.488 1.407 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939534342 699675172 /nfs/dbraw/zinc/67/51/72/699675172.db2.gz JBHBLTIBPFIFLB-PXAZEXFGSA-N 2 2 348.397 1.878 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccccc1F ZINC000939536213 699677155 /nfs/dbraw/zinc/67/71/55/699677155.db2.gz UJCPDKPVJAOISC-CXAGYDPISA-N 2 2 330.407 1.738 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CCc1ccns1 ZINC000939537349 699678203 /nfs/dbraw/zinc/67/82/03/699678203.db2.gz ZPCIGLLORMSXPE-DOMZBBRYSA-N 2 2 333.461 1.098 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)ncn1 ZINC000939543085 699683942 /nfs/dbraw/zinc/68/39/42/699683942.db2.gz ZMUMCPPZNQCAKY-DOMZBBRYSA-N 2 2 342.447 1.422 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1nncs1 ZINC000939552250 699701931 /nfs/dbraw/zinc/70/19/31/699701931.db2.gz WHAANMVMXHCMGH-YPMHNXCESA-N 2 2 346.460 1.249 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)n1 ZINC000939623116 699760671 /nfs/dbraw/zinc/76/06/71/699760671.db2.gz RBDXDQJRRPMYBA-LRDDRELGSA-N 2 2 343.431 1.301 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939643931 699784126 /nfs/dbraw/zinc/78/41/26/699784126.db2.gz YCGAAXNEKSYZBX-WMLDXEAASA-N 2 2 327.432 1.384 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)nn1C ZINC000939643869 699784248 /nfs/dbraw/zinc/78/42/48/699784248.db2.gz XTJDCRQOXSEGEO-CXAGYDPISA-N 2 2 344.463 1.031 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC000939754611 699904842 /nfs/dbraw/zinc/90/48/42/699904842.db2.gz NPZLQNHTXQPMOP-KGLIPLIRSA-N 2 2 335.452 1.054 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000083114143 700403878 /nfs/dbraw/zinc/40/38/78/700403878.db2.gz YPFMRGWGXQMLBT-HNNXBMFYSA-N 2 2 339.440 1.798 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000083114143 700403880 /nfs/dbraw/zinc/40/38/80/700403880.db2.gz YPFMRGWGXQMLBT-HNNXBMFYSA-N 2 2 339.440 1.798 20 0 EDADLP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243471 700404624 /nfs/dbraw/zinc/40/46/24/700404624.db2.gz QOKSKVKFBHZHPD-UHFFFAOYSA-N 2 2 331.420 1.741 20 0 EDADLP CC1([NH2+]Cc2cnns2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243384 700404643 /nfs/dbraw/zinc/40/46/43/700404643.db2.gz MMPZLRKYZSNANT-UHFFFAOYSA-N 2 2 334.449 1.296 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001031967773 701653121 /nfs/dbraw/zinc/65/31/21/701653121.db2.gz DCWUCKCJDLLZMX-GJZGRUSLSA-N 2 2 332.448 1.447 20 0 EDADLP COc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)on1 ZINC000940392604 700569382 /nfs/dbraw/zinc/56/93/82/700569382.db2.gz GIAWQNWVQCLKQV-UHFFFAOYSA-N 2 2 333.392 1.120 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)s1 ZINC000940397350 700594388 /nfs/dbraw/zinc/59/43/88/700594388.db2.gz KXLUQHFIAYYYSF-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482692 700670756 /nfs/dbraw/zinc/67/07/56/700670756.db2.gz MAKLOKYVFIGSSP-UHFFFAOYSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1csc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC000995168479 701661729 /nfs/dbraw/zinc/66/17/29/701661729.db2.gz MMFVPAHNAOHFPU-UONOGXRCSA-N 2 2 347.488 1.802 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000940850126 700944188 /nfs/dbraw/zinc/94/41/88/700944188.db2.gz BPSOHZPIRPWMMG-GOEBONIOSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000940850126 700944189 /nfs/dbraw/zinc/94/41/89/700944189.db2.gz BPSOHZPIRPWMMG-GOEBONIOSA-N 2 2 334.464 1.045 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850708 700951706 /nfs/dbraw/zinc/95/17/06/700951706.db2.gz LNWIRVNANIPZGI-LSDHHAIUSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850708 700951707 /nfs/dbraw/zinc/95/17/07/700951707.db2.gz LNWIRVNANIPZGI-LSDHHAIUSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)sn1 ZINC000995110692 701000711 /nfs/dbraw/zinc/00/07/11/701000711.db2.gz YWJGQLNLHCVZEJ-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP COc1ncccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995116027 701048118 /nfs/dbraw/zinc/04/81/18/701048118.db2.gz LMAWTCMXFMADQL-ZFWWWQNUSA-N 2 2 343.431 1.431 20 0 EDADLP CC1(C)CO[C@H](C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000941061060 701108083 /nfs/dbraw/zinc/10/80/83/701108083.db2.gz KPFNNOITSKZMNR-JKSUJKDBSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@H](C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000941061060 701108085 /nfs/dbraw/zinc/10/80/85/701108085.db2.gz KPFNNOITSKZMNR-JKSUJKDBSA-N 2 2 348.491 1.984 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)n1 ZINC000945806114 701195835 /nfs/dbraw/zinc/19/58/35/701195835.db2.gz ASGNLFNRXAYZBU-PBHICJAKSA-N 2 2 344.463 1.223 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)n1 ZINC000945806114 701195837 /nfs/dbraw/zinc/19/58/37/701195837.db2.gz ASGNLFNRXAYZBU-PBHICJAKSA-N 2 2 344.463 1.223 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809525 701201757 /nfs/dbraw/zinc/20/17/57/701201757.db2.gz UUXCPIRPPDGCQV-DYVFJYSZSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809525 701201760 /nfs/dbraw/zinc/20/17/60/701201760.db2.gz UUXCPIRPPDGCQV-DYVFJYSZSA-N 2 2 345.447 1.769 20 0 EDADLP CC1(C)CO[C@H](C[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)C1 ZINC000941130396 701208075 /nfs/dbraw/zinc/20/80/75/701208075.db2.gz QYJRTKZNODBCEG-GJZGRUSLSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@H](C[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)C1 ZINC000941130396 701208077 /nfs/dbraw/zinc/20/80/77/701208077.db2.gz QYJRTKZNODBCEG-GJZGRUSLSA-N 2 2 348.491 1.984 20 0 EDADLP CC(C)S(=O)(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182949593 701376123 /nfs/dbraw/zinc/37/61/23/701376123.db2.gz CRXLPICMAQGWGZ-UHFFFAOYSA-N 2 2 346.537 1.634 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941166353 701377310 /nfs/dbraw/zinc/37/73/10/701377310.db2.gz GHICPKRRKRHFCR-RDJZCZTQSA-N 2 2 348.491 1.606 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941166353 701377312 /nfs/dbraw/zinc/37/73/12/701377312.db2.gz GHICPKRRKRHFCR-RDJZCZTQSA-N 2 2 348.491 1.606 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cnns3)CC2(C)C)C1 ZINC000941216706 701402735 /nfs/dbraw/zinc/40/27/35/701402735.db2.gz FYVVPTGHPJZNCK-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cnns3)CC2(C)C)C1 ZINC000941216706 701402737 /nfs/dbraw/zinc/40/27/37/701402737.db2.gz FYVVPTGHPJZNCK-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cnns3)CC2(C)C)C1 ZINC000941216706 701402738 /nfs/dbraw/zinc/40/27/38/701402738.db2.gz FYVVPTGHPJZNCK-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cnns3)CC2(C)C)C1 ZINC000941216706 701402740 /nfs/dbraw/zinc/40/27/40/701402740.db2.gz FYVVPTGHPJZNCK-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C1CC([NH2+]CCF)C1 ZINC000999170113 706599026 /nfs/dbraw/zinc/59/90/26/706599026.db2.gz XVVOBFDXPCCGFR-GPANFISMSA-N 2 2 327.444 1.036 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C1CC([NH2+]CCF)C1 ZINC000999170113 706599029 /nfs/dbraw/zinc/59/90/29/706599029.db2.gz XVVOBFDXPCCGFR-GPANFISMSA-N 2 2 327.444 1.036 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941221410 701412081 /nfs/dbraw/zinc/41/20/81/701412081.db2.gz TWOGSXCAXJREAH-KRWDZBQOSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941221410 701412082 /nfs/dbraw/zinc/41/20/82/701412082.db2.gz TWOGSXCAXJREAH-KRWDZBQOSA-N 2 2 347.507 1.716 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)CC1(C)C ZINC000941221441 701412121 /nfs/dbraw/zinc/41/21/21/701412121.db2.gz UZQFACNFVYJCHN-MRXNPFEDSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)CC1(C)C ZINC000941221441 701412123 /nfs/dbraw/zinc/41/21/23/701412123.db2.gz UZQFACNFVYJCHN-MRXNPFEDSA-N 2 2 344.463 1.342 20 0 EDADLP CC1(C)C[N@H+](C[C@@H]2CCCOC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252511 701427322 /nfs/dbraw/zinc/42/73/22/701427322.db2.gz ACCAOONHLQNJFB-JKSUJKDBSA-N 2 2 334.464 1.526 20 0 EDADLP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252511 701427323 /nfs/dbraw/zinc/42/73/23/701427323.db2.gz ACCAOONHLQNJFB-JKSUJKDBSA-N 2 2 334.464 1.526 20 0 EDADLP CC[C@H](F)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941460322 701544255 /nfs/dbraw/zinc/54/42/55/701544255.db2.gz PNDGCBVZFLWGBH-DOTOQJQBSA-N 2 2 340.487 1.047 20 0 EDADLP CC[C@H](F)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941460322 701544256 /nfs/dbraw/zinc/54/42/56/701544256.db2.gz PNDGCBVZFLWGBH-DOTOQJQBSA-N 2 2 340.487 1.047 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000995152214 701549255 /nfs/dbraw/zinc/54/92/55/701549255.db2.gz JRZZVLUAXCPYOX-DZGCQCFKSA-N 2 2 328.420 1.125 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000999177244 706619852 /nfs/dbraw/zinc/61/98/52/706619852.db2.gz XKONSZSBWLSWPF-LSDHHAIUSA-N 2 2 347.463 1.054 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001031978459 702092568 /nfs/dbraw/zinc/09/25/68/702092568.db2.gz UDHQDHPYWAPDGN-BLLLJJGKSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001031978459 702092575 /nfs/dbraw/zinc/09/25/75/702092575.db2.gz UDHQDHPYWAPDGN-BLLLJJGKSA-N 2 2 337.414 1.711 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001032205732 702096487 /nfs/dbraw/zinc/09/64/87/702096487.db2.gz GXHFRRHRTCNDAU-MRXNPFEDSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001032205732 702096492 /nfs/dbraw/zinc/09/64/92/702096492.db2.gz GXHFRRHRTCNDAU-MRXNPFEDSA-N 2 2 348.495 1.029 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995879072 702186075 /nfs/dbraw/zinc/18/60/75/702186075.db2.gz BJTRBYBJBKUKPX-GDBMZVCRSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995879072 702186077 /nfs/dbraw/zinc/18/60/77/702186077.db2.gz BJTRBYBJBKUKPX-GDBMZVCRSA-N 2 2 334.464 1.596 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1)C1CC1 ZINC000995894610 702197373 /nfs/dbraw/zinc/19/73/73/702197373.db2.gz KJAHKIZCRPGBJM-UONOGXRCSA-N 2 2 337.493 1.205 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000995890927 702232819 /nfs/dbraw/zinc/23/28/19/702232819.db2.gz IYHNRLOSEQHTBF-GOEBONIOSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000995890927 702232823 /nfs/dbraw/zinc/23/28/23/702232823.db2.gz IYHNRLOSEQHTBF-GOEBONIOSA-N 2 2 334.464 1.596 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)o1 ZINC000995964537 702309819 /nfs/dbraw/zinc/30/98/19/702309819.db2.gz BENCGURZJKKCSN-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995964537 702309826 /nfs/dbraw/zinc/30/98/26/702309826.db2.gz BENCGURZJKKCSN-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC000995191856 702330900 /nfs/dbraw/zinc/33/09/00/702330900.db2.gz BCQCPSYYPUGSEZ-LSDHHAIUSA-N 2 2 328.420 1.056 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)o1 ZINC000996001554 702381140 /nfs/dbraw/zinc/38/11/40/702381140.db2.gz ZGZMMIZXSCZDDI-AWEZNQCLSA-N 2 2 347.463 1.333 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944170043 702412524 /nfs/dbraw/zinc/41/25/24/702412524.db2.gz RVXYCRCYTWKKNH-XJKSGUPXSA-N 2 2 343.431 1.776 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944170043 702412527 /nfs/dbraw/zinc/41/25/27/702412527.db2.gz RVXYCRCYTWKKNH-XJKSGUPXSA-N 2 2 343.431 1.776 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996074636 702464510 /nfs/dbraw/zinc/46/45/10/702464510.db2.gz MFRJGBHNNBZPPF-INIZCTEOSA-N 2 2 341.459 1.775 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996072383 702484408 /nfs/dbraw/zinc/48/44/08/702484408.db2.gz GVDBAEQDAKOSHE-HNNXBMFYSA-N 2 2 344.463 1.113 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]C[C@@H]2CCCOC2)C(C)(C)C1 ZINC000996076820 702524772 /nfs/dbraw/zinc/52/47/72/702524772.db2.gz VGZDOJCVJMXYEF-HOTGVXAUSA-N 2 2 348.491 1.606 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1[NH2+]CCF ZINC000996190645 702596351 /nfs/dbraw/zinc/59/63/51/702596351.db2.gz MKLWRSNQPXWSHY-CVEARBPZSA-N 2 2 341.471 1.426 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1[NH2+]CCF ZINC000996190645 702596355 /nfs/dbraw/zinc/59/63/55/702596355.db2.gz MKLWRSNQPXWSHY-CVEARBPZSA-N 2 2 341.471 1.426 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000996198050 702625021 /nfs/dbraw/zinc/62/50/21/702625021.db2.gz NFDCDROEEKORQE-HNNXBMFYSA-N 2 2 346.431 1.970 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)C1 ZINC000995209513 702675424 /nfs/dbraw/zinc/67/54/24/702675424.db2.gz KGPVOXOAKBTEOJ-STQMWFEESA-N 2 2 334.449 1.118 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184595 702692085 /nfs/dbraw/zinc/69/20/85/702692085.db2.gz URIMDXZAFAXPDT-JSGCOSHPSA-N 2 2 343.431 1.091 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184595 702692087 /nfs/dbraw/zinc/69/20/87/702692087.db2.gz URIMDXZAFAXPDT-JSGCOSHPSA-N 2 2 343.431 1.091 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000996354412 702732076 /nfs/dbraw/zinc/73/20/76/702732076.db2.gz HKTKJALZVVUKPK-INIZCTEOSA-N 2 2 343.431 1.844 20 0 EDADLP Cc1cncc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)c1 ZINC000996357157 702734175 /nfs/dbraw/zinc/73/41/75/702734175.db2.gz VBXKRWIFZNUIDA-INIZCTEOSA-N 2 2 327.432 1.682 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996513090 702832507 /nfs/dbraw/zinc/83/25/07/702832507.db2.gz FRVWMSWPMYQRKZ-INIZCTEOSA-N 2 2 327.432 1.384 20 0 EDADLP CC(C)(C(=O)N1C[C@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996514439 702849688 /nfs/dbraw/zinc/84/96/88/702849688.db2.gz MICDXPXRLDAXAH-ZBFHGGJFSA-N 2 2 348.491 1.941 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996562339 702876007 /nfs/dbraw/zinc/87/60/07/702876007.db2.gz KDLVZIPWVDBRLF-MRXNPFEDSA-N 2 2 334.464 1.514 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC2(C)C)o1 ZINC000996562564 702876306 /nfs/dbraw/zinc/87/63/06/702876306.db2.gz LYBYWSMNXRNUTQ-OAHLLOKOSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2C)C(C)(C)C1 ZINC000996564228 702885294 /nfs/dbraw/zinc/88/52/94/702885294.db2.gz RSYMGHXYXPYMIU-KRWDZBQOSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+][C@H](C)c2cnccn2)C(C)(C)C1 ZINC000996565062 702886416 /nfs/dbraw/zinc/88/64/16/702886416.db2.gz WQWLIZJFODEVAN-CZUORRHYSA-N 2 2 342.447 1.638 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995241875 702901136 /nfs/dbraw/zinc/90/11/36/702901136.db2.gz FXOFXFPLWQZLLH-HOTGVXAUSA-N 2 2 327.432 1.661 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996624887 702928587 /nfs/dbraw/zinc/92/85/87/702928587.db2.gz QHCOQDHFKDVBSY-HNNXBMFYSA-N 2 2 345.447 1.769 20 0 EDADLP Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c(C)n1 ZINC000995248278 702966863 /nfs/dbraw/zinc/96/68/63/702966863.db2.gz KMWSHTZKIWQEHA-AEFFLSMTSA-N 2 2 341.459 1.970 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)on1 ZINC000996683778 702981466 /nfs/dbraw/zinc/98/14/66/702981466.db2.gz IPLBSMDHKKRYSY-HUUCEWRRSA-N 2 2 329.404 1.590 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995256213 703004425 /nfs/dbraw/zinc/00/44/25/703004425.db2.gz YWWKZMHVAJHFCD-NVXWUHKLSA-N 2 2 327.432 1.661 20 0 EDADLP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996716319 703014683 /nfs/dbraw/zinc/01/46/83/703014683.db2.gz QHHYYMDNJWESPY-INIZCTEOSA-N 2 2 327.432 1.613 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996729772 703026367 /nfs/dbraw/zinc/02/63/67/703026367.db2.gz GVDYDDPJSHDXFU-MRXNPFEDSA-N 2 2 339.443 1.621 20 0 EDADLP C[C@@H]1C[N@H+](Cc2nccn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556353 703071024 /nfs/dbraw/zinc/07/10/24/703071024.db2.gz ZRGBDNLEMZGSMN-HZPDHXFCSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556353 703071027 /nfs/dbraw/zinc/07/10/27/703071027.db2.gz ZRGBDNLEMZGSMN-HZPDHXFCSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)o2)CC1 ZINC000996800024 703086174 /nfs/dbraw/zinc/08/61/74/703086174.db2.gz CZXYHWLMQATVCP-LBPRGKRZSA-N 2 2 332.408 1.225 20 0 EDADLP CCn1ccc(C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)n1 ZINC000996834324 703122076 /nfs/dbraw/zinc/12/20/76/703122076.db2.gz NKFXZHMRUBLYIE-UHFFFAOYSA-N 2 2 344.463 1.350 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000996857442 703141756 /nfs/dbraw/zinc/14/17/56/703141756.db2.gz BFZBQHNMQMWFMZ-GOSISDBHSA-N 2 2 342.443 1.587 20 0 EDADLP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1)[NH+](C)C ZINC000996959452 703229737 /nfs/dbraw/zinc/22/97/37/703229737.db2.gz AVNHRMJSHBVCPW-MRXNPFEDSA-N 2 2 349.479 1.614 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996987869 703245553 /nfs/dbraw/zinc/24/55/53/703245553.db2.gz HLTNMZYNXIGSOC-ZFWWWQNUSA-N 2 2 332.448 1.447 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000997083034 703321420 /nfs/dbraw/zinc/32/14/20/703321420.db2.gz GQGSVDKTDHYORX-WMLDXEAASA-N 2 2 348.491 1.984 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000997083034 703321422 /nfs/dbraw/zinc/32/14/22/703321422.db2.gz GQGSVDKTDHYORX-WMLDXEAASA-N 2 2 348.491 1.984 20 0 EDADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(F)(F)F ZINC001032407836 703433423 /nfs/dbraw/zinc/43/34/23/703433423.db2.gz PDGNOTSZADNTDO-IHRRRGAJSA-N 2 2 331.382 1.566 20 0 EDADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(F)(F)F ZINC001032407836 703433424 /nfs/dbraw/zinc/43/34/24/703433424.db2.gz PDGNOTSZADNTDO-IHRRRGAJSA-N 2 2 331.382 1.566 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032411443 703445398 /nfs/dbraw/zinc/44/53/98/703445398.db2.gz PDXSYQVQRLPISZ-FXUDXRNXSA-N 2 2 346.475 1.671 20 0 EDADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032411443 703445400 /nfs/dbraw/zinc/44/54/00/703445400.db2.gz PDXSYQVQRLPISZ-FXUDXRNXSA-N 2 2 346.475 1.671 20 0 EDADLP CCc1onc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032411443 703445402 /nfs/dbraw/zinc/44/54/02/703445402.db2.gz PDXSYQVQRLPISZ-FXUDXRNXSA-N 2 2 346.475 1.671 20 0 EDADLP CCc1onc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032411443 703445403 /nfs/dbraw/zinc/44/54/03/703445403.db2.gz PDXSYQVQRLPISZ-FXUDXRNXSA-N 2 2 346.475 1.671 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000997182582 703467492 /nfs/dbraw/zinc/46/74/92/703467492.db2.gz ZUDPUESWEJFSIC-CJNGLKHVSA-N 2 2 348.495 1.314 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000997182582 703467494 /nfs/dbraw/zinc/46/74/94/703467494.db2.gz ZUDPUESWEJFSIC-CJNGLKHVSA-N 2 2 348.495 1.314 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2nncn2C)CC1 ZINC000997182529 703467717 /nfs/dbraw/zinc/46/77/17/703467717.db2.gz YNDSQXAZRNWQSA-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2nncn2C)CC1 ZINC000997182529 703467719 /nfs/dbraw/zinc/46/77/19/703467719.db2.gz YNDSQXAZRNWQSA-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1csc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC000997180719 703471237 /nfs/dbraw/zinc/47/12/37/703471237.db2.gz UIXRNFMYWGFNSX-UHFFFAOYSA-N 2 2 333.461 1.508 20 0 EDADLP COc1ncccc1C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997209373 703509158 /nfs/dbraw/zinc/50/91/58/703509158.db2.gz CIZBQYCSEVBELG-UHFFFAOYSA-N 2 2 343.431 1.445 20 0 EDADLP Cc1ncsc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997236690 703523766 /nfs/dbraw/zinc/52/37/66/703523766.db2.gz LBKBKPWYBFJYBT-UHFFFAOYSA-N 2 2 347.488 1.898 20 0 EDADLP Cc1ncoc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032456727 703634896 /nfs/dbraw/zinc/63/48/96/703634896.db2.gz VRKBTHZOUVOJGY-JYJNAYRXSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1ncoc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032456727 703634897 /nfs/dbraw/zinc/63/48/97/703634897.db2.gz VRKBTHZOUVOJGY-JYJNAYRXSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1ncoc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032456727 703634898 /nfs/dbraw/zinc/63/48/98/703634898.db2.gz VRKBTHZOUVOJGY-JYJNAYRXSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1ncoc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032456727 703634899 /nfs/dbraw/zinc/63/48/99/703634899.db2.gz VRKBTHZOUVOJGY-JYJNAYRXSA-N 2 2 332.448 1.643 20 0 EDADLP CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032454219 703640855 /nfs/dbraw/zinc/64/08/55/703640855.db2.gz IQPIZZMSPNCMNI-IKGGRYGDSA-N 2 2 346.475 1.897 20 0 EDADLP CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032454219 703640857 /nfs/dbraw/zinc/64/08/57/703640857.db2.gz IQPIZZMSPNCMNI-IKGGRYGDSA-N 2 2 346.475 1.897 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001032454219 703640859 /nfs/dbraw/zinc/64/08/59/703640859.db2.gz IQPIZZMSPNCMNI-IKGGRYGDSA-N 2 2 346.475 1.897 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032454219 703640860 /nfs/dbraw/zinc/64/08/60/703640860.db2.gz IQPIZZMSPNCMNI-IKGGRYGDSA-N 2 2 346.475 1.897 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997515930 703763710 /nfs/dbraw/zinc/76/37/10/703763710.db2.gz QIQAQANIDJOFFZ-ZFWWWQNUSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000997515930 703763711 /nfs/dbraw/zinc/76/37/11/703763711.db2.gz QIQAQANIDJOFFZ-ZFWWWQNUSA-N 2 2 349.479 1.443 20 0 EDADLP CCn1nncc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004209519 703952241 /nfs/dbraw/zinc/95/22/41/703952241.db2.gz UAPSXMRIUANPJA-KRWDZBQOSA-N 2 2 348.495 1.253 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)no1 ZINC000999291495 706786855 /nfs/dbraw/zinc/78/68/55/706786855.db2.gz BWWAKBZANZNCNO-HESLUPGFSA-N 2 2 349.479 1.441 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)no1 ZINC000999291495 706786858 /nfs/dbraw/zinc/78/68/58/706786858.db2.gz BWWAKBZANZNCNO-HESLUPGFSA-N 2 2 349.479 1.441 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001004257964 704086137 /nfs/dbraw/zinc/08/61/37/704086137.db2.gz OUZULQLKBQBYSB-CQSZACIVSA-N 2 2 328.420 1.323 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033073983 704114320 /nfs/dbraw/zinc/11/43/20/704114320.db2.gz VMHNTEPIYCPIMY-WBVHZDCISA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033073983 704114322 /nfs/dbraw/zinc/11/43/22/704114322.db2.gz VMHNTEPIYCPIMY-WBVHZDCISA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033073983 704114325 /nfs/dbraw/zinc/11/43/25/704114325.db2.gz VMHNTEPIYCPIMY-WBVHZDCISA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033073983 704114328 /nfs/dbraw/zinc/11/43/28/704114328.db2.gz VMHNTEPIYCPIMY-WBVHZDCISA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033073981 704114461 /nfs/dbraw/zinc/11/44/61/704114461.db2.gz VMHNTEPIYCPIMY-RDJZCZTQSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033073981 704114463 /nfs/dbraw/zinc/11/44/63/704114463.db2.gz VMHNTEPIYCPIMY-RDJZCZTQSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033073981 704114467 /nfs/dbraw/zinc/11/44/67/704114467.db2.gz VMHNTEPIYCPIMY-RDJZCZTQSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033073981 704114470 /nfs/dbraw/zinc/11/44/70/704114470.db2.gz VMHNTEPIYCPIMY-RDJZCZTQSA-N 2 2 333.480 1.326 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001033074131 704116854 /nfs/dbraw/zinc/11/68/54/704116854.db2.gz WBQIRIUAJYYWTO-NVXWUHKLSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)on1 ZINC001033074131 704116857 /nfs/dbraw/zinc/11/68/57/704116857.db2.gz WBQIRIUAJYYWTO-NVXWUHKLSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001033074131 704116859 /nfs/dbraw/zinc/11/68/59/704116859.db2.gz WBQIRIUAJYYWTO-NVXWUHKLSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001033074131 704116863 /nfs/dbraw/zinc/11/68/63/704116863.db2.gz WBQIRIUAJYYWTO-NVXWUHKLSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001033080735 704134831 /nfs/dbraw/zinc/13/48/31/704134831.db2.gz ITISGKUMMCKGMN-DLBZAZTESA-N 2 2 332.448 1.358 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001033080735 704134833 /nfs/dbraw/zinc/13/48/33/704134833.db2.gz ITISGKUMMCKGMN-DLBZAZTESA-N 2 2 332.448 1.358 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032535001 704567669 /nfs/dbraw/zinc/56/76/69/704567669.db2.gz OMXMTNZBHINTOH-IRXDYDNUSA-N 2 2 346.475 1.455 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032535001 704567671 /nfs/dbraw/zinc/56/76/71/704567671.db2.gz OMXMTNZBHINTOH-IRXDYDNUSA-N 2 2 346.475 1.455 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000997733459 704630211 /nfs/dbraw/zinc/63/02/11/704630211.db2.gz GWXJYLPLHAXFEP-UHFFFAOYSA-N 2 2 345.422 1.905 20 0 EDADLP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ncccn1 ZINC000947936678 704669494 /nfs/dbraw/zinc/66/94/94/704669494.db2.gz XSDOEZYFCVZKAL-LSDHHAIUSA-N 2 2 329.448 1.042 20 0 EDADLP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ncccn1 ZINC000947936678 704669496 /nfs/dbraw/zinc/66/94/96/704669496.db2.gz XSDOEZYFCVZKAL-LSDHHAIUSA-N 2 2 329.448 1.042 20 0 EDADLP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cc[nH+]c2)cn1 ZINC001032551595 704692800 /nfs/dbraw/zinc/69/28/00/704692800.db2.gz XNJGUQFGGQXWLW-IRXDYDNUSA-N 2 2 342.447 1.017 20 0 EDADLP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCn2cc[nH+]c2)cn1 ZINC001032551595 704692802 /nfs/dbraw/zinc/69/28/02/704692802.db2.gz XNJGUQFGGQXWLW-IRXDYDNUSA-N 2 2 342.447 1.017 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944965917 704837668 /nfs/dbraw/zinc/83/76/68/704837668.db2.gz WSXHDOHOSBETLK-XJKSGUPXSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944965917 704837674 /nfs/dbraw/zinc/83/76/74/704837674.db2.gz WSXHDOHOSBETLK-XJKSGUPXSA-N 2 2 345.447 1.769 20 0 EDADLP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000997952279 705072554 /nfs/dbraw/zinc/07/25/54/705072554.db2.gz LAVQKWSRYBVBJB-ZDUSSCGKSA-N 2 2 346.435 1.554 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998052180 705254863 /nfs/dbraw/zinc/25/48/63/705254863.db2.gz ORUCQVZMQSIKQU-IAGOWNOFSA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998052180 705254866 /nfs/dbraw/zinc/25/48/66/705254866.db2.gz ORUCQVZMQSIKQU-IAGOWNOFSA-N 2 2 348.491 1.795 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000998072307 705290062 /nfs/dbraw/zinc/29/00/62/705290062.db2.gz NMTVAUWEGLACEI-OAHLLOKOSA-N 2 2 343.431 1.846 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C[C@@H](C)O1 ZINC000921505778 705447204 /nfs/dbraw/zinc/44/72/04/705447204.db2.gz BIPDKHBPVUUANX-HZPDHXFCSA-N 2 2 333.476 1.977 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000998244385 705590678 /nfs/dbraw/zinc/59/06/78/705590678.db2.gz MTRIRWRLRJFLLV-CJNGLKHVSA-N 2 2 334.464 1.656 20 0 EDADLP Cn1cc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)cn1 ZINC000998254636 705611901 /nfs/dbraw/zinc/61/19/01/705611901.db2.gz PJVROCHTBOXXOP-UHFFFAOYSA-N 2 2 344.463 1.115 20 0 EDADLP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999006723 706425774 /nfs/dbraw/zinc/42/57/74/706425774.db2.gz BWNWFSLSFHHIPY-JEYLPNPQSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999057627 706479245 /nfs/dbraw/zinc/47/92/45/706479245.db2.gz NJSLRYXZKAXSRK-UHFFFAOYSA-N 2 2 340.387 1.419 20 0 EDADLP CC(C)(C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1)[NH+]1CCCCC1 ZINC000999151776 706580560 /nfs/dbraw/zinc/58/05/60/706580560.db2.gz ICADRDMSWKVLQW-MRXNPFEDSA-N 2 2 345.491 1.822 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000999324565 706834594 /nfs/dbraw/zinc/83/45/94/706834594.db2.gz XCHDJBRUPUYWOP-HOTGVXAUSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000999324565 706834596 /nfs/dbraw/zinc/83/45/96/706834596.db2.gz XCHDJBRUPUYWOP-HOTGVXAUSA-N 2 2 334.464 1.738 20 0 EDADLP Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC000999372684 706867190 /nfs/dbraw/zinc/86/71/90/706867190.db2.gz OQHWOXIYSNUBOE-HOTGVXAUSA-N 2 2 342.447 1.275 20 0 EDADLP CCc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999365058 706878451 /nfs/dbraw/zinc/87/84/51/706878451.db2.gz PBPAEKIUCYYYDL-UONOGXRCSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999365058 706878454 /nfs/dbraw/zinc/87/84/54/706878454.db2.gz PBPAEKIUCYYYDL-UONOGXRCSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1)[NH+](C)C ZINC000999435749 706943275 /nfs/dbraw/zinc/94/32/75/706943275.db2.gz SFDNCSQDHZDFKU-JSGCOSHPSA-N 2 2 325.482 1.205 20 0 EDADLP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c(C)n1 ZINC000999469422 706978585 /nfs/dbraw/zinc/97/85/85/706978585.db2.gz NNMRWOXFYDWVOQ-UHFFFAOYSA-N 2 2 327.432 1.743 20 0 EDADLP Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000999505534 707002892 /nfs/dbraw/zinc/00/28/92/707002892.db2.gz VTGJVWYOKBEQKF-AWEZNQCLSA-N 2 2 338.415 1.691 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999488777 707024690 /nfs/dbraw/zinc/02/46/90/707024690.db2.gz GYNHTKMSKUPFEO-RDJZCZTQSA-N 2 2 347.459 1.640 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000999686836 707240124 /nfs/dbraw/zinc/24/01/24/707240124.db2.gz ACAYXXHTGBYGJZ-NFOMZHRRSA-N 2 2 342.447 1.401 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)s2)C1 ZINC000999715451 707253102 /nfs/dbraw/zinc/25/31/02/707253102.db2.gz VIFANTWPTNBRTD-CYBMUJFWSA-N 2 2 334.449 1.132 20 0 EDADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001033266027 707291394 /nfs/dbraw/zinc/29/13/94/707291394.db2.gz MKWUUDVSYYZDLA-CABCVRRESA-N 2 2 331.420 1.782 20 0 EDADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001033266027 707291400 /nfs/dbraw/zinc/29/14/00/707291400.db2.gz MKWUUDVSYYZDLA-CABCVRRESA-N 2 2 331.420 1.782 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC[C@H]([NH2+]CCn3cncn3)C2)c(C)[nH+]1 ZINC000999766879 707322534 /nfs/dbraw/zinc/32/25/34/707322534.db2.gz TWGOYRUZTFEQHR-INIZCTEOSA-N 2 2 342.447 1.493 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000999773781 707332818 /nfs/dbraw/zinc/33/28/18/707332818.db2.gz CVIIGZDCKCISPW-CQSZACIVSA-N 2 2 347.488 1.633 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)ncn1 ZINC000999773887 707332873 /nfs/dbraw/zinc/33/28/73/707332873.db2.gz DXSXXVNBOOWRGB-HNNXBMFYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999778140 707338546 /nfs/dbraw/zinc/33/85/46/707338546.db2.gz VFYISYDDSYBLQJ-OAHLLOKOSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000999747280 707347895 /nfs/dbraw/zinc/34/78/95/707347895.db2.gz MDSSUJBWYQYAHC-UHFFFAOYSA-N 2 2 331.395 1.574 20 0 EDADLP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)s1 ZINC000999748596 707349869 /nfs/dbraw/zinc/34/98/69/707349869.db2.gz YRIWWYWDAXVIJX-UHFFFAOYSA-N 2 2 348.476 1.454 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)c[nH+]1 ZINC001033190444 707391506 /nfs/dbraw/zinc/39/15/06/707391506.db2.gz HSOXPRBLQKTENM-JKSUJKDBSA-N 2 2 334.464 1.496 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)c[nH+]1 ZINC001033190444 707391510 /nfs/dbraw/zinc/39/15/10/707391510.db2.gz HSOXPRBLQKTENM-JKSUJKDBSA-N 2 2 334.464 1.496 20 0 EDADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033191186 707394856 /nfs/dbraw/zinc/39/48/56/707394856.db2.gz FUSYGJRSDCYOFZ-JSGCOSHPSA-N 2 2 343.431 1.186 20 0 EDADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033191186 707394861 /nfs/dbraw/zinc/39/48/61/707394861.db2.gz FUSYGJRSDCYOFZ-JSGCOSHPSA-N 2 2 343.431 1.186 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC001033296493 707405962 /nfs/dbraw/zinc/40/59/62/707405962.db2.gz VQRMIWCLTSQQGR-FUHWJXTLSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC001033296493 707405963 /nfs/dbraw/zinc/40/59/63/707405963.db2.gz VQRMIWCLTSQQGR-FUHWJXTLSA-N 2 2 346.475 1.890 20 0 EDADLP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297082 707410772 /nfs/dbraw/zinc/41/07/72/707410772.db2.gz GGPTVVHVWOXEFK-OALUTQOASA-N 2 2 349.519 1.986 20 0 EDADLP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297082 707410774 /nfs/dbraw/zinc/41/07/74/707410774.db2.gz GGPTVVHVWOXEFK-OALUTQOASA-N 2 2 349.519 1.986 20 0 EDADLP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297082 707410776 /nfs/dbraw/zinc/41/07/76/707410776.db2.gz GGPTVVHVWOXEFK-OALUTQOASA-N 2 2 349.519 1.986 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cs1 ZINC000999840362 707413402 /nfs/dbraw/zinc/41/34/02/707413402.db2.gz FEIYSEFAACVGAX-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033192672 707422040 /nfs/dbraw/zinc/42/20/40/707422040.db2.gz UUILOLZVCWRKAV-DZGCQCFKSA-N 2 2 328.416 1.746 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033192672 707422043 /nfs/dbraw/zinc/42/20/43/707422043.db2.gz UUILOLZVCWRKAV-DZGCQCFKSA-N 2 2 328.416 1.746 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)ncn1 ZINC001033196189 707442381 /nfs/dbraw/zinc/44/23/81/707442381.db2.gz BVNRANUGKLSUCB-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)ncn1 ZINC001033196189 707442385 /nfs/dbraw/zinc/44/23/85/707442385.db2.gz BVNRANUGKLSUCB-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC001033196189 707442388 /nfs/dbraw/zinc/44/23/88/707442388.db2.gz BVNRANUGKLSUCB-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)ncn1 ZINC001033196189 707442396 /nfs/dbraw/zinc/44/23/96/707442396.db2.gz BVNRANUGKLSUCB-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999886456 707475965 /nfs/dbraw/zinc/47/59/65/707475965.db2.gz WLNBHQVBYYCHAL-HIFRSBDPSA-N 2 2 349.479 1.894 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318683 707513194 /nfs/dbraw/zinc/51/31/94/707513194.db2.gz LDRWKSBZXQWWKP-HZPDHXFCSA-N 2 2 345.491 1.945 20 0 EDADLP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318683 707513195 /nfs/dbraw/zinc/51/31/95/707513195.db2.gz LDRWKSBZXQWWKP-HZPDHXFCSA-N 2 2 345.491 1.945 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2csc(Cl)n2)C1 ZINC000999917595 707559732 /nfs/dbraw/zinc/55/97/32/707559732.db2.gz UZABSWCNWILQHC-UHFFFAOYSA-N 2 2 339.852 1.772 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cnon1 ZINC001004903555 707594786 /nfs/dbraw/zinc/59/47/86/707594786.db2.gz WIHWUURVOZJRMY-UKRRQHHQSA-N 2 2 332.408 1.134 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033206521 707636461 /nfs/dbraw/zinc/63/64/61/707636461.db2.gz KIUMPCFIGSELNI-IAGOWNOFSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033206521 707636466 /nfs/dbraw/zinc/63/64/66/707636466.db2.gz KIUMPCFIGSELNI-IAGOWNOFSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033203921 707645809 /nfs/dbraw/zinc/64/58/09/707645809.db2.gz UTQHAOVRWCSIGF-RDJZCZTQSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033203921 707645813 /nfs/dbraw/zinc/64/58/13/707645813.db2.gz UTQHAOVRWCSIGF-RDJZCZTQSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033208016 707673913 /nfs/dbraw/zinc/67/39/13/707673913.db2.gz RIPIOBAMQRTYPT-JKSUJKDBSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033208016 707673919 /nfs/dbraw/zinc/67/39/19/707673919.db2.gz RIPIOBAMQRTYPT-JKSUJKDBSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033208006 707674072 /nfs/dbraw/zinc/67/40/72/707674072.db2.gz RIPIOBAMQRTYPT-CVEARBPZSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033208006 707674074 /nfs/dbraw/zinc/67/40/74/707674074.db2.gz RIPIOBAMQRTYPT-CVEARBPZSA-N 2 2 346.475 1.547 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1C ZINC001033358827 707684181 /nfs/dbraw/zinc/68/41/81/707684181.db2.gz QSCGQHQCLZNLJT-QILLFSRXSA-N 2 2 347.507 1.492 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1C ZINC001033358827 707684182 /nfs/dbraw/zinc/68/41/82/707684182.db2.gz QSCGQHQCLZNLJT-QILLFSRXSA-N 2 2 347.507 1.492 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)nn1C ZINC001033358827 707684185 /nfs/dbraw/zinc/68/41/85/707684185.db2.gz QSCGQHQCLZNLJT-QILLFSRXSA-N 2 2 347.507 1.492 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)nn1C ZINC001033358827 707684189 /nfs/dbraw/zinc/68/41/89/707684189.db2.gz QSCGQHQCLZNLJT-QILLFSRXSA-N 2 2 347.507 1.492 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnsn3)C2)CC[N@@H+]1C ZINC001000022209 707688720 /nfs/dbraw/zinc/68/87/20/707688720.db2.gz XQKXAYDBVPERCR-MELADBBJSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnsn3)C2)CC[N@H+]1C ZINC001000022209 707688725 /nfs/dbraw/zinc/68/87/25/707688725.db2.gz XQKXAYDBVPERCR-MELADBBJSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004948238 707721705 /nfs/dbraw/zinc/72/17/05/707721705.db2.gz SSGYGPRLXOYZPJ-XJKSGUPXSA-N 2 2 330.436 1.245 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001032728150 707723166 /nfs/dbraw/zinc/72/31/66/707723166.db2.gz OKJHIOWRFVXCMC-IRXDYDNUSA-N 2 2 337.427 1.966 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cn1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032728150 707723169 /nfs/dbraw/zinc/72/31/69/707723169.db2.gz OKJHIOWRFVXCMC-IRXDYDNUSA-N 2 2 337.427 1.966 20 0 EDADLP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001004952904 707737318 /nfs/dbraw/zinc/73/73/18/707737318.db2.gz JGKZGCLDOMDFJZ-LRDDRELGSA-N 2 2 331.420 1.808 20 0 EDADLP Cc1ncoc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004963341 707789243 /nfs/dbraw/zinc/78/92/43/707789243.db2.gz FLURTPIVRPIZNY-TZMCWYRMSA-N 2 2 331.420 1.808 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426571 707849144 /nfs/dbraw/zinc/84/91/44/707849144.db2.gz ROVPHGMTBVNNIA-JKSUJKDBSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426571 707849148 /nfs/dbraw/zinc/84/91/48/707849148.db2.gz ROVPHGMTBVNNIA-JKSUJKDBSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@@H](c1cnccn1)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033426571 707849152 /nfs/dbraw/zinc/84/91/52/707849152.db2.gz ROVPHGMTBVNNIA-JKSUJKDBSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@@H](c1cnccn1)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426571 707849155 /nfs/dbraw/zinc/84/91/55/707849155.db2.gz ROVPHGMTBVNNIA-JKSUJKDBSA-N 2 2 345.491 1.802 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033229429 707883624 /nfs/dbraw/zinc/88/36/24/707883624.db2.gz AYSRGQWNQHNALO-HNNXBMFYSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033229429 707883628 /nfs/dbraw/zinc/88/36/28/707883628.db2.gz AYSRGQWNQHNALO-HNNXBMFYSA-N 2 2 339.399 1.977 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC001033452445 707895747 /nfs/dbraw/zinc/89/57/47/707895747.db2.gz LEVVIUGKXQUNNO-ZWKOTPCHSA-N 2 2 342.443 1.089 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC001033452445 707895748 /nfs/dbraw/zinc/89/57/48/707895748.db2.gz LEVVIUGKXQUNNO-ZWKOTPCHSA-N 2 2 342.443 1.089 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453383 707897795 /nfs/dbraw/zinc/89/77/95/707897795.db2.gz VKWDJGLNTGMNQG-CQSZACIVSA-N 2 2 333.461 1.758 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453383 707897800 /nfs/dbraw/zinc/89/78/00/707897800.db2.gz VKWDJGLNTGMNQG-CQSZACIVSA-N 2 2 333.461 1.758 20 0 EDADLP Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005008052 707922526 /nfs/dbraw/zinc/92/25/26/707922526.db2.gz GVIYRIJCJDJHAB-BBRMVZONSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)nn1C ZINC001005009669 707926820 /nfs/dbraw/zinc/92/68/20/707926820.db2.gz NOXSXZILRVWUOZ-WBVHZDCISA-N 2 2 344.463 1.484 20 0 EDADLP Cc1nc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)co1 ZINC001005010995 707929566 /nfs/dbraw/zinc/92/95/66/707929566.db2.gz RFHZADQODMLMCV-CZUORRHYSA-N 2 2 331.420 1.739 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCOC3)CC1 ZINC000921811150 708079441 /nfs/dbraw/zinc/07/94/41/708079441.db2.gz ZFNZCXZFDXOMJF-UHFFFAOYSA-N 2 2 336.480 1.472 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC001005181748 708127181 /nfs/dbraw/zinc/12/71/81/708127181.db2.gz XVKYOKULAGZZDK-INIZCTEOSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1 ZINC001005181748 708127183 /nfs/dbraw/zinc/12/71/83/708127183.db2.gz XVKYOKULAGZZDK-INIZCTEOSA-N 2 2 331.464 1.302 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001044873443 708177372 /nfs/dbraw/zinc/17/73/72/708177372.db2.gz YHDQYNLJWBNQAD-ZFWWWQNUSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC001044873443 708177376 /nfs/dbraw/zinc/17/73/76/708177376.db2.gz YHDQYNLJWBNQAD-ZFWWWQNUSA-N 2 2 337.489 1.068 20 0 EDADLP CC(C)[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001683914 708181408 /nfs/dbraw/zinc/18/14/08/708181408.db2.gz JJAXHBBYTKATLJ-GOSISDBHSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[NH+]1CCC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001683914 708181411 /nfs/dbraw/zinc/18/14/11/708181411.db2.gz JJAXHBBYTKATLJ-GOSISDBHSA-N 2 2 337.508 1.724 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001001684491 708181707 /nfs/dbraw/zinc/18/17/07/708181707.db2.gz MEYAAOLOPDFPOW-LJQANCHMSA-N 2 2 349.519 1.726 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001001684491 708181709 /nfs/dbraw/zinc/18/17/09/708181709.db2.gz MEYAAOLOPDFPOW-LJQANCHMSA-N 2 2 349.519 1.726 20 0 EDADLP C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033591433 708289244 /nfs/dbraw/zinc/28/92/44/708289244.db2.gz BZRPCZQJMIGFFE-LSDHHAIUSA-N 2 2 329.448 1.166 20 0 EDADLP C[C@@H](c1ncccn1)[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033591433 708289245 /nfs/dbraw/zinc/28/92/45/708289245.db2.gz BZRPCZQJMIGFFE-LSDHHAIUSA-N 2 2 329.448 1.166 20 0 EDADLP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001823443 708325191 /nfs/dbraw/zinc/32/51/91/708325191.db2.gz WKLOKVQGKOQRLW-ZFWWWQNUSA-N 2 2 334.464 1.693 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033621421 708354603 /nfs/dbraw/zinc/35/46/03/708354603.db2.gz VSYRPFZUWOZUPI-AWEZNQCLSA-N 2 2 331.420 1.598 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033621421 708354607 /nfs/dbraw/zinc/35/46/07/708354607.db2.gz VSYRPFZUWOZUPI-AWEZNQCLSA-N 2 2 331.420 1.598 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033664111 708445105 /nfs/dbraw/zinc/44/51/05/708445105.db2.gz COCZTTCWLFDBGV-UKRRQHHQSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033664111 708445107 /nfs/dbraw/zinc/44/51/07/708445107.db2.gz COCZTTCWLFDBGV-UKRRQHHQSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001033664111 708445109 /nfs/dbraw/zinc/44/51/09/708445109.db2.gz COCZTTCWLFDBGV-UKRRQHHQSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001033664111 708445112 /nfs/dbraw/zinc/44/51/12/708445112.db2.gz COCZTTCWLFDBGV-UKRRQHHQSA-N 2 2 336.867 1.719 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033667599 708454805 /nfs/dbraw/zinc/45/48/05/708454805.db2.gz IDSOFSKLPCWDEG-OAHLLOKOSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033667599 708454808 /nfs/dbraw/zinc/45/48/08/708454808.db2.gz IDSOFSKLPCWDEG-OAHLLOKOSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033668606 708457428 /nfs/dbraw/zinc/45/74/28/708457428.db2.gz NMHHFOCVFOJKFY-INIZCTEOSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033668606 708457432 /nfs/dbraw/zinc/45/74/32/708457432.db2.gz NMHHFOCVFOJKFY-INIZCTEOSA-N 2 2 328.420 1.023 20 0 EDADLP CC(C)c1ocnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659410 708471058 /nfs/dbraw/zinc/47/10/58/708471058.db2.gz WWCURZLQQFIKQZ-OAHLLOKOSA-N 2 2 334.464 1.927 20 0 EDADLP CC(C)c1ocnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659410 708471060 /nfs/dbraw/zinc/47/10/60/708471060.db2.gz WWCURZLQQFIKQZ-OAHLLOKOSA-N 2 2 334.464 1.927 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)sn1 ZINC001033659882 708472084 /nfs/dbraw/zinc/47/20/84/708472084.db2.gz ZMTGQXOHZMOTHN-ZDUSSCGKSA-N 2 2 349.460 1.390 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)sn1 ZINC001033659882 708472087 /nfs/dbraw/zinc/47/20/87/708472087.db2.gz ZMTGQXOHZMOTHN-ZDUSSCGKSA-N 2 2 349.460 1.390 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)C1 ZINC001002119611 708632754 /nfs/dbraw/zinc/63/27/54/708632754.db2.gz BYJXLHWLZMZGET-OAHLLOKOSA-N 2 2 347.463 1.227 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)C1 ZINC001002119611 708632755 /nfs/dbraw/zinc/63/27/55/708632755.db2.gz BYJXLHWLZMZGET-OAHLLOKOSA-N 2 2 347.463 1.227 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033775826 708701929 /nfs/dbraw/zinc/70/19/29/708701929.db2.gz NQCAZBNKPMSGKJ-HUUCEWRRSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033775826 708701931 /nfs/dbraw/zinc/70/19/31/708701931.db2.gz NQCAZBNKPMSGKJ-HUUCEWRRSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ncc(C)s2)C1 ZINC001033775826 708701933 /nfs/dbraw/zinc/70/19/33/708701933.db2.gz NQCAZBNKPMSGKJ-HUUCEWRRSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ncc(C)s2)C1 ZINC001033775826 708701934 /nfs/dbraw/zinc/70/19/34/708701934.db2.gz NQCAZBNKPMSGKJ-HUUCEWRRSA-N 2 2 336.505 1.969 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001005383575 708821065 /nfs/dbraw/zinc/82/10/65/708821065.db2.gz JDHFBYSBSMJNJZ-SFHVURJKSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001005383575 708821066 /nfs/dbraw/zinc/82/10/66/708821066.db2.gz JDHFBYSBSMJNJZ-SFHVURJKSA-N 2 2 347.507 1.716 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033827775 708878026 /nfs/dbraw/zinc/87/80/26/708878026.db2.gz ILHKIIXIAULWOP-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033827775 708878029 /nfs/dbraw/zinc/87/80/29/708878029.db2.gz ILHKIIXIAULWOP-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033827775 708878034 /nfs/dbraw/zinc/87/80/34/708878034.db2.gz ILHKIIXIAULWOP-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033827775 708878037 /nfs/dbraw/zinc/87/80/37/708878037.db2.gz ILHKIIXIAULWOP-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001034014565 709229692 /nfs/dbraw/zinc/22/96/92/709229692.db2.gz XVBFWJCXXCQGDF-AWEZNQCLSA-N 2 2 334.489 1.662 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001034014565 709229694 /nfs/dbraw/zinc/22/96/94/709229694.db2.gz XVBFWJCXXCQGDF-AWEZNQCLSA-N 2 2 334.489 1.662 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001034014712 709230096 /nfs/dbraw/zinc/23/00/96/709230096.db2.gz CLBNRJAKBSAVRX-DZGCQCFKSA-N 2 2 347.463 1.458 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001034014712 709230098 /nfs/dbraw/zinc/23/00/98/709230098.db2.gz CLBNRJAKBSAVRX-DZGCQCFKSA-N 2 2 347.463 1.458 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001002834265 709449643 /nfs/dbraw/zinc/44/96/43/709449643.db2.gz STIGOBOTFQRBNR-KRWDZBQOSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001002860717 709464194 /nfs/dbraw/zinc/46/41/94/709464194.db2.gz QYRMOGVBNBPCAC-TYNCELHUSA-N 2 2 335.452 1.360 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001002860717 709464195 /nfs/dbraw/zinc/46/41/95/709464195.db2.gz QYRMOGVBNBPCAC-TYNCELHUSA-N 2 2 335.452 1.360 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001002860715 709464200 /nfs/dbraw/zinc/46/42/00/709464200.db2.gz QYRMOGVBNBPCAC-LALPHHSUSA-N 2 2 335.452 1.360 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001002860715 709464201 /nfs/dbraw/zinc/46/42/01/709464201.db2.gz QYRMOGVBNBPCAC-LALPHHSUSA-N 2 2 335.452 1.360 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nc1 ZINC001034215090 709568611 /nfs/dbraw/zinc/56/86/11/709568611.db2.gz VVIWBZOVPYJZQW-BRWVUGGUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nc1 ZINC001034215090 709568614 /nfs/dbraw/zinc/56/86/14/709568614.db2.gz VVIWBZOVPYJZQW-BRWVUGGUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nc1 ZINC001034215090 709568618 /nfs/dbraw/zinc/56/86/18/709568618.db2.gz VVIWBZOVPYJZQW-BRWVUGGUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nc1 ZINC001034215090 709568621 /nfs/dbraw/zinc/56/86/21/709568621.db2.gz VVIWBZOVPYJZQW-BRWVUGGUSA-N 2 2 345.491 1.596 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnnn2C)C1 ZINC001034239742 709622883 /nfs/dbraw/zinc/62/28/83/709622883.db2.gz MAPQFVSCJWXCBK-DOTOQJQBSA-N 2 2 348.495 1.160 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnnn2C)C1 ZINC001034239742 709622887 /nfs/dbraw/zinc/62/28/87/709622887.db2.gz MAPQFVSCJWXCBK-DOTOQJQBSA-N 2 2 348.495 1.160 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cnnn2C)C1 ZINC001034239742 709622891 /nfs/dbraw/zinc/62/28/91/709622891.db2.gz MAPQFVSCJWXCBK-DOTOQJQBSA-N 2 2 348.495 1.160 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnnn2C)C1 ZINC001034239742 709622894 /nfs/dbraw/zinc/62/28/94/709622894.db2.gz MAPQFVSCJWXCBK-DOTOQJQBSA-N 2 2 348.495 1.160 20 0 EDADLP CNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272993 709680981 /nfs/dbraw/zinc/68/09/81/709680981.db2.gz XZHWRQNDOZVBNT-TZMCWYRMSA-N 2 2 343.431 1.282 20 0 EDADLP CNC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272993 709680983 /nfs/dbraw/zinc/68/09/83/709680983.db2.gz XZHWRQNDOZVBNT-TZMCWYRMSA-N 2 2 343.431 1.282 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCCC[N@H+](CCCF)C2)no1 ZINC001034282952 709702086 /nfs/dbraw/zinc/70/20/86/709702086.db2.gz RSCRPIWFXKOFDC-CYBMUJFWSA-N 2 2 326.416 1.680 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCCC[N@@H+](CCCF)C2)no1 ZINC001034282952 709702089 /nfs/dbraw/zinc/70/20/89/709702089.db2.gz RSCRPIWFXKOFDC-CYBMUJFWSA-N 2 2 326.416 1.680 20 0 EDADLP CCc1cc(N(C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)nc(C)[nH+]1 ZINC001061214867 709733289 /nfs/dbraw/zinc/73/32/89/709733289.db2.gz YXGDZGIUULMCBE-KRWDZBQOSA-N 2 2 345.491 1.870 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2cc(C)ncn2)C1 ZINC001034308460 709748751 /nfs/dbraw/zinc/74/87/51/709748751.db2.gz BUTDBBVIJKFSNL-INIZCTEOSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001034308460 709748752 /nfs/dbraw/zinc/74/87/52/709748752.db2.gz BUTDBBVIJKFSNL-INIZCTEOSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2snnc2C)C1 ZINC001034309344 709751100 /nfs/dbraw/zinc/75/11/00/709751100.db2.gz KSLYKDLPWGBNDT-AWEZNQCLSA-N 2 2 348.476 1.522 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2snnc2C)C1 ZINC001034309344 709751105 /nfs/dbraw/zinc/75/11/05/709751105.db2.gz KSLYKDLPWGBNDT-AWEZNQCLSA-N 2 2 348.476 1.522 20 0 EDADLP Cc1nnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001034363548 709881906 /nfs/dbraw/zinc/88/19/06/709881906.db2.gz OPNQUVHXZPIIMJ-CWRNSKLLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001034363548 709881909 /nfs/dbraw/zinc/88/19/09/709881909.db2.gz OPNQUVHXZPIIMJ-CWRNSKLLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001034363548 709881913 /nfs/dbraw/zinc/88/19/13/709881913.db2.gz OPNQUVHXZPIIMJ-CWRNSKLLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001034363548 709881915 /nfs/dbraw/zinc/88/19/15/709881915.db2.gz OPNQUVHXZPIIMJ-CWRNSKLLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)on1 ZINC001003178849 710094336 /nfs/dbraw/zinc/09/43/36/710094336.db2.gz BLMGZKOOUCZCCT-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034487011 710134565 /nfs/dbraw/zinc/13/45/65/710134565.db2.gz DFXFRYZSXTZTTB-HUUCEWRRSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001034487011 710134566 /nfs/dbraw/zinc/13/45/66/710134566.db2.gz DFXFRYZSXTZTTB-HUUCEWRRSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nnc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034487011 710134567 /nfs/dbraw/zinc/13/45/67/710134567.db2.gz DFXFRYZSXTZTTB-HUUCEWRRSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034487011 710134568 /nfs/dbraw/zinc/13/45/68/710134568.db2.gz DFXFRYZSXTZTTB-HUUCEWRRSA-N 2 2 335.452 1.191 20 0 EDADLP CC[C@@H](F)C[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001003222414 710141527 /nfs/dbraw/zinc/14/15/27/710141527.db2.gz XRLXHYGAHYRNCI-GFCCVEGCSA-N 2 2 326.416 1.679 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034501938 710142378 /nfs/dbraw/zinc/14/23/78/710142378.db2.gz BJFZKIOGNUOTDQ-INIZCTEOSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034501938 710142379 /nfs/dbraw/zinc/14/23/79/710142379.db2.gz BJFZKIOGNUOTDQ-INIZCTEOSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CCc2ccns2)C1 ZINC001034502520 710143525 /nfs/dbraw/zinc/14/35/25/710143525.db2.gz HNASHVVBZWNIPL-CQSZACIVSA-N 2 2 347.488 1.931 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CCc2ccns2)C1 ZINC001034502520 710143527 /nfs/dbraw/zinc/14/35/27/710143527.db2.gz HNASHVVBZWNIPL-CQSZACIVSA-N 2 2 347.488 1.931 20 0 EDADLP CCc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034524768 710174093 /nfs/dbraw/zinc/17/40/93/710174093.db2.gz HSGZHLIZTZSZKW-GJZGRUSLSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034524768 710174095 /nfs/dbraw/zinc/17/40/95/710174095.db2.gz HSGZHLIZTZSZKW-GJZGRUSLSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001034524768 710174097 /nfs/dbraw/zinc/17/40/97/710174097.db2.gz HSGZHLIZTZSZKW-GJZGRUSLSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034524768 710174099 /nfs/dbraw/zinc/17/40/99/710174099.db2.gz HSGZHLIZTZSZKW-GJZGRUSLSA-N 2 2 334.464 1.659 20 0 EDADLP COc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034528534 710182593 /nfs/dbraw/zinc/18/25/93/710182593.db2.gz OTLMSLKWEQNGNW-QGZVFWFLSA-N 2 2 346.475 1.657 20 0 EDADLP COc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034528534 710182595 /nfs/dbraw/zinc/18/25/95/710182595.db2.gz OTLMSLKWEQNGNW-QGZVFWFLSA-N 2 2 346.475 1.657 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)c1cccc2[nH+]ccn21 ZINC001003294440 710231367 /nfs/dbraw/zinc/23/13/67/710231367.db2.gz YXMAMYHUGGUNMS-HNNXBMFYSA-N 2 2 342.443 1.955 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001003378858 710297971 /nfs/dbraw/zinc/29/79/71/710297971.db2.gz XOQCSGUZEVUUNO-QGZVFWFLSA-N 2 2 341.471 1.428 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001003378858 710297973 /nfs/dbraw/zinc/29/79/73/710297973.db2.gz XOQCSGUZEVUUNO-QGZVFWFLSA-N 2 2 341.471 1.428 20 0 EDADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001034649609 710326420 /nfs/dbraw/zinc/32/64/20/710326420.db2.gz MVZAZIWFSWXVLI-WSMBLCCSSA-N 2 2 349.479 1.188 20 0 EDADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001034649609 710326421 /nfs/dbraw/zinc/32/64/21/710326421.db2.gz MVZAZIWFSWXVLI-WSMBLCCSSA-N 2 2 349.479 1.188 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034665671 710334771 /nfs/dbraw/zinc/33/47/71/710334771.db2.gz OTNSOQLGOCDHPJ-OXGONZEZSA-N 2 2 332.448 1.567 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034665671 710334773 /nfs/dbraw/zinc/33/47/73/710334773.db2.gz OTNSOQLGOCDHPJ-OXGONZEZSA-N 2 2 332.448 1.567 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001003546879 710413642 /nfs/dbraw/zinc/41/36/42/710413642.db2.gz DTSWQCKMOOYCKC-CYBMUJFWSA-N 2 2 349.479 1.615 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001003606470 710446730 /nfs/dbraw/zinc/44/67/30/710446730.db2.gz MOHGVVAPUYWHRB-GOEBONIOSA-N 2 2 346.475 1.837 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)c(C)o1 ZINC001003627009 710457217 /nfs/dbraw/zinc/45/72/17/710457217.db2.gz ZQDQCGHXFBNABA-ZDUSSCGKSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)c(C)o1 ZINC001003627009 710457220 /nfs/dbraw/zinc/45/72/20/710457220.db2.gz ZQDQCGHXFBNABA-ZDUSSCGKSA-N 2 2 334.464 1.714 20 0 EDADLP CO[C@H](C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC001003700887 710494992 /nfs/dbraw/zinc/49/49/92/710494992.db2.gz IOKCOHMIMKMIJL-GOSISDBHSA-N 2 2 342.443 1.921 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001003701703 710495825 /nfs/dbraw/zinc/49/58/25/710495825.db2.gz VYBZYRXJBUBBBK-QGZVFWFLSA-N 2 2 328.416 1.266 20 0 EDADLP C[NH+](C)Cc1ccc(C[NH2+]CC2OCCCO2)c2c1OC(F)(F)O2 ZINC000922280567 710582952 /nfs/dbraw/zinc/58/29/52/710582952.db2.gz LTOVFVWTBOFELO-UHFFFAOYSA-N 2 2 344.358 1.922 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001034744113 710946483 /nfs/dbraw/zinc/94/64/83/710946483.db2.gz LQFNFFXTKOJBHL-HDJSIYSDSA-N 2 2 343.431 1.573 20 0 EDADLP CC(C)c1ocnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959206 710984110 /nfs/dbraw/zinc/98/41/10/710984110.db2.gz FQSAFMZOTFNZSO-ZBFHGGJFSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959206 710984114 /nfs/dbraw/zinc/98/41/14/710984114.db2.gz FQSAFMZOTFNZSO-ZBFHGGJFSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032959206 710984119 /nfs/dbraw/zinc/98/41/19/710984119.db2.gz FQSAFMZOTFNZSO-ZBFHGGJFSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032959206 710984122 /nfs/dbraw/zinc/98/41/22/710984122.db2.gz FQSAFMZOTFNZSO-ZBFHGGJFSA-N 2 2 334.464 1.925 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC001034764399 711040098 /nfs/dbraw/zinc/04/00/98/711040098.db2.gz UDQGKXCGYCQNTH-HDJSIYSDSA-N 2 2 342.447 1.312 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001034764961 711041455 /nfs/dbraw/zinc/04/14/55/711041455.db2.gz ZNUPGPRZWXNJMG-XSWJXKHESA-N 2 2 332.448 1.396 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001034775508 711049242 /nfs/dbraw/zinc/04/92/42/711049242.db2.gz BHNOVRQLTQYSID-JYJNAYRXSA-N 2 2 334.464 1.406 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)[nH]1 ZINC001034777314 711055892 /nfs/dbraw/zinc/05/58/92/711055892.db2.gz HTMNTENPKPPRDE-MRVWCRGKSA-N 2 2 345.451 1.167 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CCCC2CCOCC2)CC1 ZINC001003970414 711119590 /nfs/dbraw/zinc/11/95/90/711119590.db2.gz FVRFLXZEWRCANG-UHFFFAOYSA-N 2 2 348.491 1.750 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)cs1 ZINC001034802346 711126295 /nfs/dbraw/zinc/12/62/95/711126295.db2.gz YWFDASZDZYPYNB-HDJSIYSDSA-N 2 2 333.461 1.865 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cs1 ZINC001032983111 711135697 /nfs/dbraw/zinc/13/56/97/711135697.db2.gz ZSSIXVMIKKKUSO-HOTGVXAUSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cs1 ZINC001032983111 711135700 /nfs/dbraw/zinc/13/57/00/711135700.db2.gz ZSSIXVMIKKKUSO-HOTGVXAUSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cs1 ZINC001032983111 711135702 /nfs/dbraw/zinc/13/57/02/711135702.db2.gz ZSSIXVMIKKKUSO-HOTGVXAUSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cs1 ZINC001032983111 711135704 /nfs/dbraw/zinc/13/57/04/711135704.db2.gz ZSSIXVMIKKKUSO-HOTGVXAUSA-N 2 2 337.489 1.420 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC001003967220 711137446 /nfs/dbraw/zinc/13/74/46/711137446.db2.gz JTNCYICZKMPLSV-CRAIPNDOSA-N 2 2 347.507 1.621 20 0 EDADLP CCc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc(C)[nH+]1 ZINC001061364208 711141176 /nfs/dbraw/zinc/14/11/76/711141176.db2.gz FBYARIQULGUATC-HUUCEWRRSA-N 2 2 331.464 1.384 20 0 EDADLP CCc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC001061364208 711141180 /nfs/dbraw/zinc/14/11/80/711141180.db2.gz FBYARIQULGUATC-HUUCEWRRSA-N 2 2 331.464 1.384 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001034801577 711141731 /nfs/dbraw/zinc/14/17/31/711141731.db2.gz MBRKTOFDMMMDBF-RBSFLKMASA-N 2 2 331.420 1.958 20 0 EDADLP Cc1nonc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001034810320 711170820 /nfs/dbraw/zinc/17/08/20/711170820.db2.gz DWWNWPINESWUTO-KRWDZBQOSA-N 2 2 343.431 1.378 20 0 EDADLP Cc1nonc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001034810320 711170822 /nfs/dbraw/zinc/17/08/22/711170822.db2.gz DWWNWPINESWUTO-KRWDZBQOSA-N 2 2 343.431 1.378 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)cc1C ZINC001034890638 711346449 /nfs/dbraw/zinc/34/64/49/711346449.db2.gz FJNURMFZONPTRM-RTBURBONSA-N 2 2 345.487 1.715 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)cc1C ZINC001034890638 711346453 /nfs/dbraw/zinc/34/64/53/711346453.db2.gz FJNURMFZONPTRM-RTBURBONSA-N 2 2 345.487 1.715 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csnn1 ZINC001034935612 711362751 /nfs/dbraw/zinc/36/27/51/711362751.db2.gz AJAUASAWSBDFLF-HUUCEWRRSA-N 2 2 337.493 1.492 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csnn1 ZINC001034935612 711362753 /nfs/dbraw/zinc/36/27/53/711362753.db2.gz AJAUASAWSBDFLF-HUUCEWRRSA-N 2 2 337.493 1.492 20 0 EDADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001034936115 711364492 /nfs/dbraw/zinc/36/44/92/711364492.db2.gz JWCRDGFIKXNYHT-HUUCEWRRSA-N 2 2 349.479 1.585 20 0 EDADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001034936115 711364494 /nfs/dbraw/zinc/36/44/94/711364494.db2.gz JWCRDGFIKXNYHT-HUUCEWRRSA-N 2 2 349.479 1.585 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034936131 711365286 /nfs/dbraw/zinc/36/52/86/711365286.db2.gz KJJYTZCAQOATQL-HUUCEWRRSA-N 2 2 337.493 1.492 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034936131 711365289 /nfs/dbraw/zinc/36/52/89/711365289.db2.gz KJJYTZCAQOATQL-HUUCEWRRSA-N 2 2 337.493 1.492 20 0 EDADLP CCc1noc(C)c1C[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004053242 711374577 /nfs/dbraw/zinc/37/45/77/711374577.db2.gz NDXDIBVTGZMXQK-UHFFFAOYSA-N 2 2 345.447 1.900 20 0 EDADLP Cc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)c1 ZINC001034924389 711387972 /nfs/dbraw/zinc/38/79/72/711387972.db2.gz OHOGIENLTRUGES-MRXNPFEDSA-N 2 2 327.432 1.827 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001034957827 711430563 /nfs/dbraw/zinc/43/05/63/711430563.db2.gz KWSYCROCPSLOLK-OAHLLOKOSA-N 2 2 348.495 1.493 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001034957827 711430564 /nfs/dbraw/zinc/43/05/64/711430564.db2.gz KWSYCROCPSLOLK-OAHLLOKOSA-N 2 2 348.495 1.493 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)sn1 ZINC001004153151 711550355 /nfs/dbraw/zinc/55/03/55/711550355.db2.gz WJDQFROGCNBUIN-UHFFFAOYSA-N 2 2 349.460 1.437 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)cs1 ZINC001004146138 711556366 /nfs/dbraw/zinc/55/63/66/711556366.db2.gz POJZXWVOLHHEGU-UHFFFAOYSA-N 2 2 333.461 1.737 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001004151314 711569086 /nfs/dbraw/zinc/56/90/86/711569086.db2.gz WNFHIUKFDGFCMR-CHWSQXEVSA-N 2 2 335.452 1.225 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001004151314 711569087 /nfs/dbraw/zinc/56/90/87/711569087.db2.gz WNFHIUKFDGFCMR-CHWSQXEVSA-N 2 2 335.452 1.225 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+]([C@H](C)c2cnc(C)cn2)CC1 ZINC001004151845 711569936 /nfs/dbraw/zinc/56/99/36/711569936.db2.gz NOAJJEOHJCBWIF-CQSZACIVSA-N 2 2 342.447 1.632 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004475042 711851686 /nfs/dbraw/zinc/85/16/86/711851686.db2.gz QYZFSDKQIJBRGH-AEFFLSMTSA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004475042 711851687 /nfs/dbraw/zinc/85/16/87/711851687.db2.gz QYZFSDKQIJBRGH-AEFFLSMTSA-N 2 2 346.475 1.141 20 0 EDADLP Cc1cc(N2CCC(NC(=O)C[NH+]3CC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC000557634475 306231472 /nfs/dbraw/zinc/23/14/72/306231472.db2.gz FZXCTAVJWSWSOE-UHFFFAOYSA-N 2 2 331.464 1.520 20 0 EDADLP CN(C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000371295292 282224083 /nfs/dbraw/zinc/22/40/83/282224083.db2.gz QIHVUPATASNECA-FGTMMUONSA-N 2 2 331.460 1.833 20 0 EDADLP CN(C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000371295292 282224086 /nfs/dbraw/zinc/22/40/86/282224086.db2.gz QIHVUPATASNECA-FGTMMUONSA-N 2 2 331.460 1.833 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000173144554 282223486 /nfs/dbraw/zinc/22/34/86/282223486.db2.gz UPERLCMGYYOXSW-AEFFLSMTSA-N 2 2 339.524 1.972 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000359080594 282257486 /nfs/dbraw/zinc/25/74/86/282257486.db2.gz ZITZENIJYGWPPR-OKZBNKHCSA-N 2 2 337.508 1.866 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000359080594 282257488 /nfs/dbraw/zinc/25/74/88/282257488.db2.gz ZITZENIJYGWPPR-OKZBNKHCSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000246524554 299100768 /nfs/dbraw/zinc/10/07/68/299100768.db2.gz VZRPJNBPUDSSFI-ULQDDVLXSA-N 2 2 338.496 1.365 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000559638873 306257296 /nfs/dbraw/zinc/25/72/96/306257296.db2.gz XYDXZSOTPMMIAL-INIZCTEOSA-N 2 2 340.439 1.608 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000559638873 306257297 /nfs/dbraw/zinc/25/72/97/306257297.db2.gz XYDXZSOTPMMIAL-INIZCTEOSA-N 2 2 340.439 1.608 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)[N@H+](C)C1 ZINC000329011314 539387701 /nfs/dbraw/zinc/38/77/01/539387701.db2.gz DQEVDUJFMMAJGT-MPGHIAIKSA-N 2 2 346.475 1.563 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)[N@@H+](C)C1 ZINC000329011314 539387708 /nfs/dbraw/zinc/38/77/08/539387708.db2.gz DQEVDUJFMMAJGT-MPGHIAIKSA-N 2 2 346.475 1.563 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000434280634 305119462 /nfs/dbraw/zinc/11/94/62/305119462.db2.gz NKCYDQWDNVNRNW-BZUAXINKSA-N 2 2 326.485 1.221 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167900 282388673 /nfs/dbraw/zinc/38/86/73/282388673.db2.gz XPRBFYCDLOVUCM-KRWDZBQOSA-N 3 2 348.535 1.393 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167900 282388678 /nfs/dbraw/zinc/38/86/78/282388678.db2.gz XPRBFYCDLOVUCM-KRWDZBQOSA-N 3 2 348.535 1.393 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167900 282388681 /nfs/dbraw/zinc/38/86/81/282388681.db2.gz XPRBFYCDLOVUCM-KRWDZBQOSA-N 3 2 348.535 1.393 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167900 282388685 /nfs/dbraw/zinc/38/86/85/282388685.db2.gz XPRBFYCDLOVUCM-KRWDZBQOSA-N 3 2 348.535 1.393 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000560453079 306269137 /nfs/dbraw/zinc/26/91/37/306269137.db2.gz ZXCLMYJZZKYWFA-SFHVURJKSA-N 2 2 328.416 1.156 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000560453079 306269138 /nfs/dbraw/zinc/26/91/38/306269138.db2.gz ZXCLMYJZZKYWFA-SFHVURJKSA-N 2 2 328.416 1.156 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000561147659 306282741 /nfs/dbraw/zinc/28/27/41/306282741.db2.gz UAYUHHCKQVQQNQ-SJLPKXTDSA-N 2 2 346.475 1.372 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000248438501 539687445 /nfs/dbraw/zinc/68/74/45/539687445.db2.gz BWOYVEHVWZHLBF-CRAIPNDOSA-N 2 2 349.450 1.831 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000248438501 539687447 /nfs/dbraw/zinc/68/74/47/539687447.db2.gz BWOYVEHVWZHLBF-CRAIPNDOSA-N 2 2 349.450 1.831 20 0 EDADLP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000361101186 295811789 /nfs/dbraw/zinc/81/17/89/295811789.db2.gz ZRKNERQFTSETMA-RTBURBONSA-N 2 2 343.471 1.637 20 0 EDADLP C[NH+]1CCC2(CCCN2C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000373085516 282730913 /nfs/dbraw/zinc/73/09/13/282730913.db2.gz BLAMUFNGRCVOSM-UHFFFAOYSA-N 2 2 336.480 1.121 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)[C@H](C[NH3+])C1 ZINC000562749208 306307743 /nfs/dbraw/zinc/30/77/43/306307743.db2.gz MIDHFKFHEFESRC-CYBMUJFWSA-N 2 2 349.410 1.059 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)[C@H](C[NH3+])C1 ZINC000562749208 306307744 /nfs/dbraw/zinc/30/77/44/306307744.db2.gz MIDHFKFHEFESRC-CYBMUJFWSA-N 2 2 349.410 1.059 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000562794518 306309289 /nfs/dbraw/zinc/30/92/89/306309289.db2.gz IYIJIXSPZWUEER-HNNXBMFYSA-N 2 2 333.480 1.839 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000157809179 539983446 /nfs/dbraw/zinc/98/34/46/539983446.db2.gz MNHPAKOCUPJAQJ-NVXWUHKLSA-N 2 2 330.432 1.729 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000157809179 539983452 /nfs/dbraw/zinc/98/34/52/539983452.db2.gz MNHPAKOCUPJAQJ-NVXWUHKLSA-N 2 2 330.432 1.729 20 0 EDADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000563037086 306316322 /nfs/dbraw/zinc/31/63/22/306316322.db2.gz UWXIBMBZYSPVDS-GDBMZVCRSA-N 2 2 345.443 1.100 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000563160597 306321046 /nfs/dbraw/zinc/32/10/46/306321046.db2.gz NYMWBEHRLQHMFH-QGZVFWFLSA-N 2 2 339.443 1.392 20 0 EDADLP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@@H]3C1)C2 ZINC000341570605 283026227 /nfs/dbraw/zinc/02/62/27/283026227.db2.gz PQRKZPGORJIRGN-VEDBGLOESA-N 2 2 336.480 1.116 20 0 EDADLP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@@H]3C1)C2 ZINC000341570605 283026228 /nfs/dbraw/zinc/02/62/28/283026228.db2.gz PQRKZPGORJIRGN-VEDBGLOESA-N 2 2 336.480 1.116 20 0 EDADLP C[NH+]1CCO[C@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC000341570605 283026231 /nfs/dbraw/zinc/02/62/31/283026231.db2.gz PQRKZPGORJIRGN-VEDBGLOESA-N 2 2 336.480 1.116 20 0 EDADLP C[NH+]1CCO[C@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC000341570605 283026232 /nfs/dbraw/zinc/02/62/32/283026232.db2.gz PQRKZPGORJIRGN-VEDBGLOESA-N 2 2 336.480 1.116 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000342723947 291046707 /nfs/dbraw/zinc/04/67/07/291046707.db2.gz BNMCHOZWGOVGKX-UKRRQHHQSA-N 2 2 348.378 1.045 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC2 ZINC000563264107 306325334 /nfs/dbraw/zinc/32/53/34/306325334.db2.gz NTAUESDPDKDMMG-MRXNPFEDSA-N 2 2 335.496 1.096 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC2 ZINC000563264107 306325335 /nfs/dbraw/zinc/32/53/35/306325335.db2.gz NTAUESDPDKDMMG-MRXNPFEDSA-N 2 2 335.496 1.096 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)CC2 ZINC000563264107 306325336 /nfs/dbraw/zinc/32/53/36/306325336.db2.gz NTAUESDPDKDMMG-MRXNPFEDSA-N 2 2 335.496 1.096 20 0 EDADLP C[NH+](C/C=C/C[N@@H+](C)C[C@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000181317708 540126006 /nfs/dbraw/zinc/12/60/06/540126006.db2.gz ROSQTWOZJPUCLF-OHINUGQQSA-N 2 2 338.292 1.253 20 0 EDADLP C[NH+](C/C=C/C[N@H+](C)C[C@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000181317708 540126010 /nfs/dbraw/zinc/12/60/10/540126010.db2.gz ROSQTWOZJPUCLF-OHINUGQQSA-N 2 2 338.292 1.253 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000376323238 291064818 /nfs/dbraw/zinc/06/48/18/291064818.db2.gz PNLZXHZVRTWVHN-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000376323238 291064820 /nfs/dbraw/zinc/06/48/20/291064820.db2.gz PNLZXHZVRTWVHN-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000191626723 540175260 /nfs/dbraw/zinc/17/52/60/540175260.db2.gz JENMAMJGUUEPLF-HNNXBMFYSA-N 2 2 334.439 1.110 20 0 EDADLP C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000191626723 540175263 /nfs/dbraw/zinc/17/52/63/540175263.db2.gz JENMAMJGUUEPLF-HNNXBMFYSA-N 2 2 334.439 1.110 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965848 291091589 /nfs/dbraw/zinc/09/15/89/291091589.db2.gz RTSDKIZYLNJDNN-JYJNAYRXSA-N 2 2 339.480 1.251 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965848 291091590 /nfs/dbraw/zinc/09/15/90/291091590.db2.gz RTSDKIZYLNJDNN-JYJNAYRXSA-N 2 2 339.480 1.251 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965848 291091591 /nfs/dbraw/zinc/09/15/91/291091591.db2.gz RTSDKIZYLNJDNN-JYJNAYRXSA-N 2 2 339.480 1.251 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965848 291091593 /nfs/dbraw/zinc/09/15/93/291091593.db2.gz RTSDKIZYLNJDNN-JYJNAYRXSA-N 2 2 339.480 1.251 20 0 EDADLP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000046059015 138113995 /nfs/dbraw/zinc/11/39/95/138113995.db2.gz DQUCBGNOSDXPJC-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000046059015 138113997 /nfs/dbraw/zinc/11/39/97/138113997.db2.gz DQUCBGNOSDXPJC-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCC[NH+]1CCOCC1 ZINC000047618068 138121862 /nfs/dbraw/zinc/12/18/62/138121862.db2.gz QOCUGXYOOKGHBS-UHFFFAOYSA-N 2 2 346.475 1.066 20 0 EDADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCC[NH+]1CCOCC1 ZINC000047618068 138121863 /nfs/dbraw/zinc/12/18/63/138121863.db2.gz QOCUGXYOOKGHBS-UHFFFAOYSA-N 2 2 346.475 1.066 20 0 EDADLP CC(C)Oc1cccc([C@@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000563559039 306338783 /nfs/dbraw/zinc/33/87/83/306338783.db2.gz UNPSGBGTJGFLIT-GDBMZVCRSA-N 2 2 334.464 1.819 20 0 EDADLP CC(C)Oc1cccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000563559039 306338784 /nfs/dbraw/zinc/33/87/84/306338784.db2.gz UNPSGBGTJGFLIT-GDBMZVCRSA-N 2 2 334.464 1.819 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000111866993 138309020 /nfs/dbraw/zinc/30/90/20/138309020.db2.gz HFFFXCLYIWWUOE-LSDHHAIUSA-N 2 2 335.452 1.757 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000111866993 138309021 /nfs/dbraw/zinc/30/90/21/138309021.db2.gz HFFFXCLYIWWUOE-LSDHHAIUSA-N 2 2 335.452 1.757 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(C)(C)C[NH+](C)C ZINC000122969686 138318483 /nfs/dbraw/zinc/31/84/83/138318483.db2.gz OFIRCPQVQPZXOC-LSDHHAIUSA-N 2 2 333.480 1.936 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000563617363 306342354 /nfs/dbraw/zinc/34/23/54/306342354.db2.gz BQCRLCBRDPMVQB-QGPMSJSTSA-N 2 2 334.460 1.788 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000563617363 306342355 /nfs/dbraw/zinc/34/23/55/306342355.db2.gz BQCRLCBRDPMVQB-QGPMSJSTSA-N 2 2 334.460 1.788 20 0 EDADLP COc1nccc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000563779944 306346997 /nfs/dbraw/zinc/34/69/97/306346997.db2.gz AFTCYJCLESLGQH-OAHLLOKOSA-N 2 2 341.415 1.602 20 0 EDADLP COc1nccc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000563779943 306347031 /nfs/dbraw/zinc/34/70/31/306347031.db2.gz AFTCYJCLESLGQH-HNNXBMFYSA-N 2 2 341.415 1.602 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)[C@H]1C ZINC000563945414 306352799 /nfs/dbraw/zinc/35/27/99/306352799.db2.gz IDJQTDGTOYWLQW-OFQRWUPVSA-N 2 2 327.432 1.901 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496177043 283342098 /nfs/dbraw/zinc/34/20/98/283342098.db2.gz VMGLKXZQASQLBK-YOEHRIQHSA-N 2 2 329.485 1.726 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496177043 283342102 /nfs/dbraw/zinc/34/21/02/283342102.db2.gz VMGLKXZQASQLBK-YOEHRIQHSA-N 2 2 329.485 1.726 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000564063105 306354567 /nfs/dbraw/zinc/35/45/67/306354567.db2.gz WLQPYNFFEGPRNW-GOSISDBHSA-N 2 2 326.444 1.667 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000564661063 306362674 /nfs/dbraw/zinc/36/26/74/306362674.db2.gz MBZGLQOVISCFLY-OKILXGFUSA-N 2 2 340.431 1.178 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000564661063 306362675 /nfs/dbraw/zinc/36/26/75/306362675.db2.gz MBZGLQOVISCFLY-OKILXGFUSA-N 2 2 340.431 1.178 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000564793283 306365033 /nfs/dbraw/zinc/36/50/33/306365033.db2.gz HXWPGUPROFZSDZ-RISCZKNCSA-N 2 2 340.265 1.767 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+](C)C1 ZINC000413900030 304086315 /nfs/dbraw/zinc/08/63/15/304086315.db2.gz DRSBVRDJCWCRDE-HNNXBMFYSA-N 2 2 342.399 1.049 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+](C)C1 ZINC000413900030 304086317 /nfs/dbraw/zinc/08/63/17/304086317.db2.gz DRSBVRDJCWCRDE-HNNXBMFYSA-N 2 2 342.399 1.049 20 0 EDADLP CCOCC[C@H](O)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000564849867 306367270 /nfs/dbraw/zinc/36/72/70/306367270.db2.gz OKBDWSHTFLDCEI-KRWDZBQOSA-N 2 2 328.497 1.646 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1C[NH2+]C1 ZINC000564936216 306370360 /nfs/dbraw/zinc/37/03/60/306370360.db2.gz FEFSPUPTDOBGEC-GDBMZVCRSA-N 2 2 344.459 1.517 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000564979982 306371940 /nfs/dbraw/zinc/37/19/40/306371940.db2.gz OCSIVQXTLXWWAD-QWHCGFSZSA-N 2 2 345.447 1.093 20 0 EDADLP C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565028790 306373035 /nfs/dbraw/zinc/37/30/35/306373035.db2.gz QNPUTYGMCVANPJ-OAHLLOKOSA-N 2 2 343.431 1.097 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000565379446 306382287 /nfs/dbraw/zinc/38/22/87/306382287.db2.gz FODKIKQMYGTKIE-GXTWGEPZSA-N 2 2 329.404 1.262 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000565379449 306382356 /nfs/dbraw/zinc/38/23/56/306382356.db2.gz FODKIKQMYGTKIE-TZMCWYRMSA-N 2 2 329.404 1.262 20 0 EDADLP CCS(=O)(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000118396858 201078437 /nfs/dbraw/zinc/07/84/37/201078437.db2.gz NHKSEJIVPCVRRJ-GJZGRUSLSA-N 2 2 332.510 1.242 20 0 EDADLP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000268081059 296109354 /nfs/dbraw/zinc/10/93/54/296109354.db2.gz GKPQZDLWABSVOR-CHWSQXEVSA-N 2 2 325.478 1.649 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414833077 304146182 /nfs/dbraw/zinc/14/61/82/304146182.db2.gz PBMISIPFFBNOKE-QGZVFWFLSA-N 2 2 327.428 1.943 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000077121900 203372409 /nfs/dbraw/zinc/37/24/09/203372409.db2.gz FQPVTRHSQIVQAX-UHFFFAOYSA-N 2 2 334.445 1.198 20 0 EDADLP C[N@@H+](Cc1cc2ccccc2nc1N1CCCCC1)C[C@H](O)C[NH3+] ZINC000415066983 304156782 /nfs/dbraw/zinc/15/67/82/304156782.db2.gz JTEHFWNJELYSFO-QGZVFWFLSA-N 2 2 328.460 1.977 20 0 EDADLP C[N@H+](Cc1cc2ccccc2nc1N1CCCCC1)C[C@H](O)C[NH3+] ZINC000415066983 304156783 /nfs/dbraw/zinc/15/67/83/304156783.db2.gz JTEHFWNJELYSFO-QGZVFWFLSA-N 2 2 328.460 1.977 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(O)cc1 ZINC000105105145 204133579 /nfs/dbraw/zinc/13/35/79/204133579.db2.gz IRNNWHNYTMSZMU-UHFFFAOYSA-N 2 2 334.464 1.560 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(O)cc1 ZINC000105105145 204133583 /nfs/dbraw/zinc/13/35/83/204133583.db2.gz IRNNWHNYTMSZMU-UHFFFAOYSA-N 2 2 334.464 1.560 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nccs1 ZINC000105159584 204136214 /nfs/dbraw/zinc/13/62/14/204136214.db2.gz YMRXGAXBDRYUGZ-UHFFFAOYSA-N 2 2 325.482 1.311 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nccs1 ZINC000105159584 204136218 /nfs/dbraw/zinc/13/62/18/204136218.db2.gz YMRXGAXBDRYUGZ-UHFFFAOYSA-N 2 2 325.482 1.311 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000111456325 204358925 /nfs/dbraw/zinc/35/89/25/204358925.db2.gz YICRCYKVQQTPPR-IRXDYDNUSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000111456325 204358929 /nfs/dbraw/zinc/35/89/29/204358929.db2.gz YICRCYKVQQTPPR-IRXDYDNUSA-N 2 2 348.491 1.527 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)C(=O)OC ZINC000111244487 204344329 /nfs/dbraw/zinc/34/43/29/204344329.db2.gz AIYKIHFQDSQGHS-BBRMVZONSA-N 2 2 336.436 1.224 20 0 EDADLP COc1ccc([C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000195142575 139007681 /nfs/dbraw/zinc/00/76/81/139007681.db2.gz MGJGFGLCELYBDW-GDBMZVCRSA-N 2 2 328.416 1.634 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]C1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415159565 304167956 /nfs/dbraw/zinc/16/79/56/304167956.db2.gz RDOCNCROQVYDEZ-AWEZNQCLSA-N 2 2 329.404 1.693 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c[nH+]2)CC1 ZINC000567361154 306448789 /nfs/dbraw/zinc/44/87/89/306448789.db2.gz CXHCAVOUQVYTSA-MRXNPFEDSA-N 2 2 331.464 1.869 20 0 EDADLP Cc1csc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000126468066 205057611 /nfs/dbraw/zinc/05/76/11/205057611.db2.gz YOIYEEATTCOHOD-UHFFFAOYSA-N 2 2 325.482 1.941 20 0 EDADLP Cc1csc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000126468066 205057613 /nfs/dbraw/zinc/05/76/13/205057613.db2.gz YOIYEEATTCOHOD-UHFFFAOYSA-N 2 2 325.482 1.941 20 0 EDADLP c1cc(C[NH2+]CC2=CCCOC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000126807657 205073690 /nfs/dbraw/zinc/07/36/90/205073690.db2.gz GKKRTIGVFKSIKA-UHFFFAOYSA-N 2 2 332.444 1.834 20 0 EDADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1cccc(F)c1 ZINC000129492503 205197965 /nfs/dbraw/zinc/19/79/65/205197965.db2.gz GOZBGKHWRPGWDY-HNNXBMFYSA-N 2 2 335.423 1.808 20 0 EDADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1cccc(F)c1 ZINC000129492503 205197970 /nfs/dbraw/zinc/19/79/70/205197970.db2.gz GOZBGKHWRPGWDY-HNNXBMFYSA-N 2 2 335.423 1.808 20 0 EDADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237508680 139052805 /nfs/dbraw/zinc/05/28/05/139052805.db2.gz JXQZBQZCVKGSED-MAUKXSAKSA-N 2 2 348.466 1.676 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000377746013 284380505 /nfs/dbraw/zinc/38/05/05/284380505.db2.gz OVWXOIAELLFKHF-CABCVRRESA-N 2 2 329.404 1.397 20 0 EDADLP Cc1cc(NC(=O)[C@@H]2COCC[NH2+]2)ccc1OCC[NH+]1CCCC1 ZINC000237719475 139058614 /nfs/dbraw/zinc/05/86/14/139058614.db2.gz SHHSFAUWHYRGFW-INIZCTEOSA-N 2 2 333.432 1.397 20 0 EDADLP O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@@H]1COCC[NH2+]1 ZINC000238122503 139069323 /nfs/dbraw/zinc/06/93/23/139069323.db2.gz UKJGWZVYAOZSRN-INIZCTEOSA-N 2 2 326.400 1.813 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000238137809 139069506 /nfs/dbraw/zinc/06/95/06/139069506.db2.gz YJDJEIZEDDWGPH-QZTJIDSGSA-N 2 2 343.471 1.566 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202705 139071057 /nfs/dbraw/zinc/07/10/57/139071057.db2.gz GKGAIKLXYYAVDO-IXDOHACOSA-N 2 2 330.476 1.987 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202705 139071058 /nfs/dbraw/zinc/07/10/58/139071058.db2.gz GKGAIKLXYYAVDO-IXDOHACOSA-N 2 2 330.476 1.987 20 0 EDADLP CCC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000453153072 305406193 /nfs/dbraw/zinc/40/61/93/305406193.db2.gz YNPOMYDERYRDDT-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000159231609 206232113 /nfs/dbraw/zinc/23/21/13/206232113.db2.gz PBBPKPAKIITZQE-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000159231609 206232116 /nfs/dbraw/zinc/23/21/16/206232116.db2.gz PBBPKPAKIITZQE-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)cn1 ZINC000246433612 139108260 /nfs/dbraw/zinc/10/82/60/139108260.db2.gz CTEGMQCGHGGNCW-QGTPRVQTSA-N 2 2 343.475 1.474 20 0 EDADLP Cn1cc(N2CC[C@H]([NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)cn1 ZINC000246433612 139108262 /nfs/dbraw/zinc/10/82/62/139108262.db2.gz CTEGMQCGHGGNCW-QGTPRVQTSA-N 2 2 343.475 1.474 20 0 EDADLP Cn1cc(N2CC[C@H]([NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)cn1 ZINC000246433612 139108263 /nfs/dbraw/zinc/10/82/63/139108263.db2.gz CTEGMQCGHGGNCW-QGTPRVQTSA-N 2 2 343.475 1.474 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)nc12 ZINC000246738865 139119755 /nfs/dbraw/zinc/11/97/55/139119755.db2.gz GPGJXRVZTNGFHE-RDJZCZTQSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)nc12 ZINC000246738865 139119756 /nfs/dbraw/zinc/11/97/56/139119756.db2.gz GPGJXRVZTNGFHE-RDJZCZTQSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)nc12 ZINC000246738865 139119757 /nfs/dbraw/zinc/11/97/57/139119757.db2.gz GPGJXRVZTNGFHE-RDJZCZTQSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)nc12 ZINC000246738865 139119758 /nfs/dbraw/zinc/11/97/58/139119758.db2.gz GPGJXRVZTNGFHE-RDJZCZTQSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000568057406 306471202 /nfs/dbraw/zinc/47/12/02/306471202.db2.gz NPUBPOZAPOUXPS-AWEZNQCLSA-N 2 2 331.420 1.104 20 0 EDADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415340635 304197863 /nfs/dbraw/zinc/19/78/63/304197863.db2.gz WVCBXVYGJYEXLE-CYBMUJFWSA-N 2 2 341.415 1.179 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266007691 248023825 /nfs/dbraw/zinc/02/38/25/248023825.db2.gz KZZGDSYDTODUSH-RBUKOAKNSA-N 2 2 348.487 1.697 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266007691 248023827 /nfs/dbraw/zinc/02/38/27/248023827.db2.gz KZZGDSYDTODUSH-RBUKOAKNSA-N 2 2 348.487 1.697 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000247886503 139155616 /nfs/dbraw/zinc/15/56/16/139155616.db2.gz DFBLCBXUJHTNSZ-PKOBYXMFSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000247886503 139155617 /nfs/dbraw/zinc/15/56/17/139155617.db2.gz DFBLCBXUJHTNSZ-PKOBYXMFSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246356472 296282018 /nfs/dbraw/zinc/28/20/18/296282018.db2.gz ICLWPDHFEGNCIT-IXDOHACOSA-N 2 2 337.508 1.724 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nccs3)C2)CC1 ZINC000249906734 139200007 /nfs/dbraw/zinc/20/00/07/139200007.db2.gz VDRWQGBQDMSJAU-HUUCEWRRSA-N 2 2 336.505 1.875 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nccs3)C2)CC1 ZINC000249906734 139200008 /nfs/dbraw/zinc/20/00/08/139200008.db2.gz VDRWQGBQDMSJAU-HUUCEWRRSA-N 2 2 336.505 1.875 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1)[C@H]1CCC[NH2+]1 ZINC000261619504 139211677 /nfs/dbraw/zinc/21/16/77/139211677.db2.gz FYZJDGDEIFTPSB-TZMCWYRMSA-N 2 2 333.436 1.027 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1)[C@H]1CCC[NH2+]1 ZINC000261619504 139211678 /nfs/dbraw/zinc/21/16/78/139211678.db2.gz FYZJDGDEIFTPSB-TZMCWYRMSA-N 2 2 333.436 1.027 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000261619500 139211629 /nfs/dbraw/zinc/21/16/29/139211629.db2.gz FYZJDGDEIFTPSB-JSGCOSHPSA-N 2 2 333.436 1.027 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000261619500 139211630 /nfs/dbraw/zinc/21/16/30/139211630.db2.gz FYZJDGDEIFTPSB-JSGCOSHPSA-N 2 2 333.436 1.027 20 0 EDADLP C[C@H](O)CNc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC000413157067 250654011 /nfs/dbraw/zinc/65/40/11/250654011.db2.gz PPARVISVXPBEHE-UONOGXRCSA-N 2 2 335.452 1.182 20 0 EDADLP C[C@H](O)CNc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]cn1 ZINC000413157067 250654017 /nfs/dbraw/zinc/65/40/17/250654017.db2.gz PPARVISVXPBEHE-UONOGXRCSA-N 2 2 335.452 1.182 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000261737247 139221854 /nfs/dbraw/zinc/22/18/54/139221854.db2.gz LMWMXULRARRSGH-NXNVCVFFSA-N 2 2 346.475 1.829 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000261739555 139222137 /nfs/dbraw/zinc/22/21/37/139222137.db2.gz SRGKUYGKHJZOCW-AWEZNQCLSA-N 2 2 329.404 1.024 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000261739555 139222138 /nfs/dbraw/zinc/22/21/38/139222138.db2.gz SRGKUYGKHJZOCW-AWEZNQCLSA-N 2 2 329.404 1.024 20 0 EDADLP [NH3+][C@H](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000261768832 139224401 /nfs/dbraw/zinc/22/44/01/139224401.db2.gz WRRUOCDOVMCKBV-QGZVFWFLSA-N 2 2 340.427 1.625 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261836659 139230183 /nfs/dbraw/zinc/23/01/83/139230183.db2.gz UDMGNVXYGQXDDP-QRQLOZEOSA-N 3 2 344.503 1.213 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261836659 139230184 /nfs/dbraw/zinc/23/01/84/139230184.db2.gz UDMGNVXYGQXDDP-QRQLOZEOSA-N 3 2 344.503 1.213 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000261882533 139233862 /nfs/dbraw/zinc/23/38/62/139233862.db2.gz MRNSCDFXTQDVER-CABCVRRESA-N 2 2 337.489 1.770 20 0 EDADLP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261888013 139234263 /nfs/dbraw/zinc/23/42/63/139234263.db2.gz GCNNNDOHZDIODJ-BRWVUGGUSA-N 2 2 338.473 1.207 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415487945 304224055 /nfs/dbraw/zinc/22/40/55/304224055.db2.gz HMQVHSNAKVJZAM-OAHLLOKOSA-N 2 2 341.415 1.236 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)N2CCCc3ccccc32)n1C ZINC000414297871 250840638 /nfs/dbraw/zinc/84/06/38/250840638.db2.gz HSKDXNALMXRYIH-UHFFFAOYSA-N 2 2 327.432 1.555 20 0 EDADLP [NH3+]CC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCOCC1 ZINC000262069897 139248369 /nfs/dbraw/zinc/24/83/69/139248369.db2.gz BMQPALLWWCQGJT-UHFFFAOYSA-N 2 2 332.379 1.383 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174300600 207009079 /nfs/dbraw/zinc/00/90/79/207009079.db2.gz UNFIJIRKFOZKHM-HUUCEWRRSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174300600 207009082 /nfs/dbraw/zinc/00/90/82/207009082.db2.gz UNFIJIRKFOZKHM-HUUCEWRRSA-N 2 2 344.459 1.512 20 0 EDADLP COCc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000262114075 139252054 /nfs/dbraw/zinc/25/20/54/139252054.db2.gz WULRJLNTDVYQEW-GFCCVEGCSA-N 2 2 326.466 1.109 20 0 EDADLP COCc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])s1 ZINC000262114075 139252055 /nfs/dbraw/zinc/25/20/55/139252055.db2.gz WULRJLNTDVYQEW-GFCCVEGCSA-N 2 2 326.466 1.109 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCCCC[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000415563806 251016301 /nfs/dbraw/zinc/01/63/01/251016301.db2.gz KPJKQRWIXGHCBB-UHFFFAOYSA-N 2 2 342.399 1.976 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262264448 139264797 /nfs/dbraw/zinc/26/47/97/139264797.db2.gz JTCZWRUKIBDFQK-MELADBBJSA-N 2 2 329.803 1.314 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262264448 139264798 /nfs/dbraw/zinc/26/47/98/139264798.db2.gz JTCZWRUKIBDFQK-MELADBBJSA-N 2 2 329.803 1.314 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000416991193 251120925 /nfs/dbraw/zinc/12/09/25/251120925.db2.gz XQOALFCIQNPVPN-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416996554 251122557 /nfs/dbraw/zinc/12/25/57/251122557.db2.gz WYIVNLJVQVHSQV-FMKPAKJESA-N 2 2 349.479 1.478 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N[C@H](C[NH3+])C2CC2)[NH+]2CCOCC2)c1 ZINC000416995068 251123718 /nfs/dbraw/zinc/12/37/18/251123718.db2.gz KKVLIYBBHDHUSI-QZTJIDSGSA-N 2 2 346.475 1.405 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000417430973 251171098 /nfs/dbraw/zinc/17/10/98/251171098.db2.gz YRPXUTDOUULNHH-SHTZXODSSA-N 2 2 326.485 1.162 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000417430973 251171102 /nfs/dbraw/zinc/17/11/02/251171102.db2.gz YRPXUTDOUULNHH-SHTZXODSSA-N 2 2 326.485 1.162 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)[C@@H]([NH2+]C)c2cnn(C)c2)c[nH+]1 ZINC000262361125 139273145 /nfs/dbraw/zinc/27/31/45/139273145.db2.gz KJAPLMJWVUZVMS-INIZCTEOSA-N 2 2 330.436 1.238 20 0 EDADLP COCC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[NH2+]CC1 ZINC000262375089 139274206 /nfs/dbraw/zinc/27/42/06/139274206.db2.gz MVJLQVHLXYFVTA-UHFFFAOYSA-N 2 2 346.475 1.704 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000417661807 251217741 /nfs/dbraw/zinc/21/77/41/251217741.db2.gz QFXQGXQJSPHIAQ-SMDDNHRTSA-N 2 2 326.391 1.700 20 0 EDADLP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000262460055 139280620 /nfs/dbraw/zinc/28/06/20/139280620.db2.gz WZXUWNPKPHCSHH-MRXNPFEDSA-N 2 2 337.851 1.363 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000418473281 251374230 /nfs/dbraw/zinc/37/42/30/251374230.db2.gz XKMYHZSEXUUWGE-YJBOKZPZSA-N 2 2 346.475 1.713 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000418725196 251399122 /nfs/dbraw/zinc/39/91/22/251399122.db2.gz KUIILUAQQVTOQR-KBPBESRZSA-N 2 2 332.439 1.605 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000418725196 251399126 /nfs/dbraw/zinc/39/91/26/251399126.db2.gz KUIILUAQQVTOQR-KBPBESRZSA-N 2 2 332.439 1.605 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418723253 251399199 /nfs/dbraw/zinc/39/91/99/251399199.db2.gz IWPODVDIXWAYME-HUUCEWRRSA-N 2 2 344.450 1.891 20 0 EDADLP C[C@]1(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCC[NH2+]C1 ZINC000415584343 304232747 /nfs/dbraw/zinc/23/27/47/304232747.db2.gz SKAPDPQBTREQIP-SFHVURJKSA-N 2 2 341.415 1.317 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)[nH+]c12 ZINC000262879331 139310007 /nfs/dbraw/zinc/31/00/07/139310007.db2.gz YSUNYKBVLUUQTE-HNNXBMFYSA-N 2 2 338.415 1.694 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422886075 252011483 /nfs/dbraw/zinc/01/14/83/252011483.db2.gz VYNYRMRQNHDZEX-QFBILLFUSA-N 3 2 344.503 1.694 20 0 EDADLP C[C@H](NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422886075 252011486 /nfs/dbraw/zinc/01/14/86/252011486.db2.gz VYNYRMRQNHDZEX-QFBILLFUSA-N 2 2 344.503 1.694 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@](C)(C[NH3+])C(C)C)CC2 ZINC000422849263 251998783 /nfs/dbraw/zinc/99/87/83/251998783.db2.gz BSENJUWMAWDSID-LJQANCHMSA-N 2 2 349.475 1.552 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@](C)(C[NH3+])C(C)C)CC2 ZINC000422849263 251998784 /nfs/dbraw/zinc/99/87/84/251998784.db2.gz BSENJUWMAWDSID-LJQANCHMSA-N 2 2 349.475 1.552 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC000422864206 252004243 /nfs/dbraw/zinc/00/42/43/252004243.db2.gz UPHNRSBOGSNAGO-HOTGVXAUSA-N 3 2 337.508 1.914 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC000422864206 252004245 /nfs/dbraw/zinc/00/42/45/252004245.db2.gz UPHNRSBOGSNAGO-HOTGVXAUSA-N 3 2 337.508 1.914 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000422868547 252005172 /nfs/dbraw/zinc/00/51/72/252005172.db2.gz VLSLIOSSXHFAJY-QRVBRYPASA-N 2 2 346.519 1.554 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423153324 252040134 /nfs/dbraw/zinc/04/01/34/252040134.db2.gz NDKFSYMLDHOIHX-CVEARBPZSA-N 2 2 325.478 1.687 20 0 EDADLP CC(C)n1cncc1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000424181512 252154536 /nfs/dbraw/zinc/15/45/36/252154536.db2.gz XUKIIEVYKXJUHX-GJZGRUSLSA-N 2 2 334.443 1.900 20 0 EDADLP Cn1cc([C@@H]2CN(Cc3[nH+]ccn3Cc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424284563 252190334 /nfs/dbraw/zinc/19/03/34/252190334.db2.gz COHBRAZPZOOPPF-ZWKOTPCHSA-N 2 2 336.443 1.592 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424331822 252196311 /nfs/dbraw/zinc/19/63/11/252196311.db2.gz JZDRWWGGAPRVNB-RTBURBONSA-N 3 2 344.503 1.499 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3c[nH+]cn3C)C2=O)c1 ZINC000177711610 207381997 /nfs/dbraw/zinc/38/19/97/207381997.db2.gz OSRKJEDWLIXRBQ-MRXNPFEDSA-N 2 2 330.388 1.332 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424449872 252235807 /nfs/dbraw/zinc/23/58/07/252235807.db2.gz UMVZDWXXDSRJQT-GFCCVEGCSA-N 2 2 329.404 1.486 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000569711544 306517283 /nfs/dbraw/zinc/51/72/83/306517283.db2.gz MEGFJCUTVHERLT-GWCFXTLKSA-N 2 2 349.859 1.345 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415661265 304250731 /nfs/dbraw/zinc/25/07/31/304250731.db2.gz UMFRBUMVFAKIJH-NSHDSACASA-N 2 2 329.404 1.165 20 0 EDADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496267325 285081290 /nfs/dbraw/zinc/08/12/90/285081290.db2.gz YGOHZRXQWREMIL-OAHLLOKOSA-N 2 2 327.469 1.383 20 0 EDADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496267325 285081293 /nfs/dbraw/zinc/08/12/93/285081293.db2.gz YGOHZRXQWREMIL-OAHLLOKOSA-N 2 2 327.469 1.383 20 0 EDADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496267325 285081297 /nfs/dbraw/zinc/08/12/97/285081297.db2.gz YGOHZRXQWREMIL-OAHLLOKOSA-N 2 2 327.469 1.383 20 0 EDADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496267325 285081300 /nfs/dbraw/zinc/08/13/00/285081300.db2.gz YGOHZRXQWREMIL-OAHLLOKOSA-N 2 2 327.469 1.383 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000112636391 220361592 /nfs/dbraw/zinc/36/15/92/220361592.db2.gz JCZZRDGYHJNAHY-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000112636391 220361594 /nfs/dbraw/zinc/36/15/94/220361594.db2.gz JCZZRDGYHJNAHY-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP Cn1cncc1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000263842882 139364195 /nfs/dbraw/zinc/36/41/95/139364195.db2.gz IEDQXEVECFKTJL-UHFFFAOYSA-N 2 2 327.432 1.098 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000471834040 255016041 /nfs/dbraw/zinc/01/60/41/255016041.db2.gz DQRVNVWUCNLGGN-UHFFFAOYSA-N 2 2 342.528 1.861 20 0 EDADLP COc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[NH2+]1 ZINC000488584946 255045486 /nfs/dbraw/zinc/04/54/86/255045486.db2.gz VKFBVBKXRKASAG-HOTGVXAUSA-N 2 2 340.427 1.942 20 0 EDADLP C[NH+](C)C/C=C\C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000491850390 255152216 /nfs/dbraw/zinc/15/22/16/255152216.db2.gz XLZHARYJKVXVSA-YVMONPNESA-N 2 2 347.459 1.132 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000493927465 255226846 /nfs/dbraw/zinc/22/68/46/255226846.db2.gz QYMQWLUUTTUDJU-RKDXNWHRSA-N 2 2 325.210 1.696 20 0 EDADLP O=C1O[C@]2(CN1C[NH+]1CCC(C(F)F)CC1)C[NH+]1CCC2CC1 ZINC000496277529 255373912 /nfs/dbraw/zinc/37/39/12/255373912.db2.gz SWYPTWPCHSQNMV-INIZCTEOSA-N 2 2 329.391 1.838 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000246390373 299605157 /nfs/dbraw/zinc/60/51/57/299605157.db2.gz IPSCMPXAABNDBU-LZLYRXPVSA-N 2 2 348.491 1.698 20 0 EDADLP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000266031259 285353562 /nfs/dbraw/zinc/35/35/62/285353562.db2.gz RRVLXQBJWJSIQF-CXAGYDPISA-N 2 2 326.387 1.652 20 0 EDADLP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000266031259 285353564 /nfs/dbraw/zinc/35/35/64/285353564.db2.gz RRVLXQBJWJSIQF-CXAGYDPISA-N 2 2 326.387 1.652 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000264293821 139394497 /nfs/dbraw/zinc/39/44/97/139394497.db2.gz ZJBSFBSDSQNFSX-HNNXBMFYSA-N 2 2 332.448 1.859 20 0 EDADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N(C)CC[NH3+])c1 ZINC000415882092 304283950 /nfs/dbraw/zinc/28/39/50/304283950.db2.gz WNSFETSJBHLFLA-UHFFFAOYSA-N 2 2 343.431 1.706 20 0 EDADLP CO[C@H](CC(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000416142439 304291567 /nfs/dbraw/zinc/29/15/67/304291567.db2.gz GWESRZHKBPNCJB-QGZVFWFLSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(=O)N1CCCCC1 ZINC000266714341 139554065 /nfs/dbraw/zinc/55/40/65/139554065.db2.gz GCSDIRUOCGXPGP-AWEZNQCLSA-N 2 2 347.463 1.106 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)C[C@H]21 ZINC000416244279 304300233 /nfs/dbraw/zinc/30/02/33/304300233.db2.gz QCCFWWGQYRDSQG-RTBURBONSA-N 2 2 343.471 1.366 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)C[C@H]21 ZINC000416244279 304300234 /nfs/dbraw/zinc/30/02/34/304300234.db2.gz QCCFWWGQYRDSQG-RTBURBONSA-N 2 2 343.471 1.366 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)C[C@H]21 ZINC000416244279 304300235 /nfs/dbraw/zinc/30/02/35/304300235.db2.gz QCCFWWGQYRDSQG-RTBURBONSA-N 2 2 343.471 1.366 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+]3CCc4ccccc4C3)C[C@H]21 ZINC000416244279 304300236 /nfs/dbraw/zinc/30/02/36/304300236.db2.gz QCCFWWGQYRDSQG-RTBURBONSA-N 2 2 343.471 1.366 20 0 EDADLP O[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C1CCOCC1 ZINC000269868803 140009190 /nfs/dbraw/zinc/00/91/90/140009190.db2.gz TZOVWOLAURLELU-HNNXBMFYSA-N 2 2 340.387 1.410 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000270681800 140147087 /nfs/dbraw/zinc/14/70/87/140147087.db2.gz UWAZHKDFXNLZEF-UHFFFAOYSA-N 2 2 336.461 1.410 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000270681800 140147088 /nfs/dbraw/zinc/14/70/88/140147088.db2.gz UWAZHKDFXNLZEF-UHFFFAOYSA-N 2 2 336.461 1.410 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000271116209 140239590 /nfs/dbraw/zinc/23/95/90/140239590.db2.gz NECBXTNJIRGJCM-AWEZNQCLSA-N 2 2 346.406 1.596 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)ccc2[nH+]1 ZINC000271617291 140320963 /nfs/dbraw/zinc/32/09/63/140320963.db2.gz HUFZKOBCBXJHNW-HIFRSBDPSA-N 2 2 343.431 1.570 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416311404 304308569 /nfs/dbraw/zinc/30/85/69/304308569.db2.gz PERLXPDERBQMMS-CABCVRRESA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416311404 304308570 /nfs/dbraw/zinc/30/85/70/304308570.db2.gz PERLXPDERBQMMS-CABCVRRESA-N 2 2 344.459 1.648 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nc(C2CCCCC2)no1 ZINC000328683847 140670135 /nfs/dbraw/zinc/67/01/35/140670135.db2.gz PKFHONGNACKNQB-AWEZNQCLSA-N 2 2 349.479 1.932 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000331598913 141054314 /nfs/dbraw/zinc/05/43/14/141054314.db2.gz QJFCPAUMBYZKMT-LSDHHAIUSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N3CC[NH+](C)CC3)c[nH+]2)C[C@H](C)O1 ZINC000331989636 141107360 /nfs/dbraw/zinc/10/73/60/141107360.db2.gz AJPLFWIPLNWPEG-GJZGRUSLSA-N 2 2 347.463 1.152 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000332062697 141116896 /nfs/dbraw/zinc/11/68/96/141116896.db2.gz QFWHALOEXQAVTK-TZMCWYRMSA-N 2 2 333.436 1.346 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C2 ZINC000332591184 141210289 /nfs/dbraw/zinc/21/02/89/141210289.db2.gz FIBLDZNKJOAASY-UKRRQHHQSA-N 2 2 334.464 1.058 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C2 ZINC000332591184 141210290 /nfs/dbraw/zinc/21/02/90/141210290.db2.gz FIBLDZNKJOAASY-UKRRQHHQSA-N 2 2 334.464 1.058 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000332873677 141242367 /nfs/dbraw/zinc/24/23/67/141242367.db2.gz UMWPMTBNBDCNEG-IJEWVQPXSA-N 2 2 348.491 1.758 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000332873677 141242368 /nfs/dbraw/zinc/24/23/68/141242368.db2.gz UMWPMTBNBDCNEG-IJEWVQPXSA-N 2 2 348.491 1.758 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NCC[N@@H+]2CCCOCC2)CC1(C)C ZINC000333296166 141294634 /nfs/dbraw/zinc/29/46/34/141294634.db2.gz BMDSFKMRYMJKTO-AWEZNQCLSA-N 2 2 335.452 1.235 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NCC[N@H+]2CCCOCC2)CC1(C)C ZINC000333296166 141294636 /nfs/dbraw/zinc/29/46/36/141294636.db2.gz BMDSFKMRYMJKTO-AWEZNQCLSA-N 2 2 335.452 1.235 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@H+](C2CC2)C1 ZINC000333678829 141355577 /nfs/dbraw/zinc/35/55/77/141355577.db2.gz KSKUQZZZAFKEBO-JKSUJKDBSA-N 2 2 345.491 1.606 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000339472549 142054576 /nfs/dbraw/zinc/05/45/76/142054576.db2.gz ICUPQSMOJGPRBN-DLBZAZTESA-N 2 2 326.444 1.909 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@@H]1n1cccn1 ZINC000339597147 142087817 /nfs/dbraw/zinc/08/78/17/142087817.db2.gz YYKSYAJHSQQZCA-LZWOXQAQSA-N 2 2 335.477 1.910 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000339911117 142197462 /nfs/dbraw/zinc/19/74/62/142197462.db2.gz CQSOBWDBGRMIRP-QWRGUYRKSA-N 2 2 332.370 1.945 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000339911117 142197464 /nfs/dbraw/zinc/19/74/64/142197464.db2.gz CQSOBWDBGRMIRP-QWRGUYRKSA-N 2 2 332.370 1.945 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1COc2ccccc2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000340173753 142291829 /nfs/dbraw/zinc/29/18/29/142291829.db2.gz VWRITMNCFOSGEA-PMACEKPBSA-N 2 2 338.451 1.999 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1COc2ccccc2C1)C[N@H+]1CCc2ccccc2C1 ZINC000340173753 142291830 /nfs/dbraw/zinc/29/18/30/142291830.db2.gz VWRITMNCFOSGEA-PMACEKPBSA-N 2 2 338.451 1.999 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340176315 142292354 /nfs/dbraw/zinc/29/23/54/142292354.db2.gz NCLGPWRMGQRKGW-BLLLJJGKSA-N 2 2 334.445 1.586 20 0 EDADLP OCC[NH+]1CCC(C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000340233930 142314811 /nfs/dbraw/zinc/31/48/11/142314811.db2.gz MOECRIIMKGJLAH-INIZCTEOSA-N 2 2 333.411 1.327 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3C(F)F)CC2)CC1 ZINC000344728738 143004018 /nfs/dbraw/zinc/00/40/18/143004018.db2.gz WJDUKGOXBVUZGD-ZIAGYGMSSA-N 2 2 330.423 1.498 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000345289711 143073788 /nfs/dbraw/zinc/07/37/88/143073788.db2.gz KSEDPMTWKJIYIN-MDZRGWNJSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000345289711 143073789 /nfs/dbraw/zinc/07/37/89/143073789.db2.gz KSEDPMTWKJIYIN-MDZRGWNJSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[N@@H+]1C ZINC000345319949 143077370 /nfs/dbraw/zinc/07/73/70/143077370.db2.gz MQRSBGDLQGOEES-APWZRJJASA-N 2 2 344.503 1.647 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[N@H+]1C ZINC000345319949 143077371 /nfs/dbraw/zinc/07/73/71/143077371.db2.gz MQRSBGDLQGOEES-APWZRJJASA-N 2 2 344.503 1.647 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc(OC)c1O ZINC000345319650 143077389 /nfs/dbraw/zinc/07/73/89/143077389.db2.gz QKZMJCFGIVBMIT-OAHLLOKOSA-N 2 2 338.448 1.856 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(OC)c1O ZINC000345319650 143077390 /nfs/dbraw/zinc/07/73/90/143077390.db2.gz QKZMJCFGIVBMIT-OAHLLOKOSA-N 2 2 338.448 1.856 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)[C@@H]2c2ccnn2C)C1 ZINC000345334866 143079579 /nfs/dbraw/zinc/07/95/79/143079579.db2.gz XISCPJNTHQLJFN-FRQROOTJSA-N 2 2 331.464 1.154 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)[C@@H]2c2ccnn2C)C1 ZINC000345334866 143079580 /nfs/dbraw/zinc/07/95/80/143079580.db2.gz XISCPJNTHQLJFN-FRQROOTJSA-N 2 2 331.464 1.154 20 0 EDADLP CC[N@H+](CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1)C(C)C ZINC000346098657 143167497 /nfs/dbraw/zinc/16/74/97/143167497.db2.gz BAYGELJCOVTATN-UHFFFAOYSA-N 2 2 333.480 1.050 20 0 EDADLP CC[N@@H+](CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1)C(C)C ZINC000346098657 143167498 /nfs/dbraw/zinc/16/74/98/143167498.db2.gz BAYGELJCOVTATN-UHFFFAOYSA-N 2 2 333.480 1.050 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000346547216 143215591 /nfs/dbraw/zinc/21/55/91/143215591.db2.gz VQCQWKCRLVXJKR-JKSUJKDBSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000346547216 143215592 /nfs/dbraw/zinc/21/55/92/143215592.db2.gz VQCQWKCRLVXJKR-JKSUJKDBSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000346821827 143249112 /nfs/dbraw/zinc/24/91/12/143249112.db2.gz DKEBFIXPORWLKD-FGTMMUONSA-N 2 2 336.524 1.299 20 0 EDADLP Cc1nn2c(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(C(C)C)nc2s1 ZINC000346830586 143249724 /nfs/dbraw/zinc/24/97/24/143249724.db2.gz PDDZIAXHCVSKFB-HNNXBMFYSA-N 2 2 325.482 1.625 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cn3ccccc3n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767359 155169690 /nfs/dbraw/zinc/16/96/90/155169690.db2.gz RRVNYJKTKDRMMN-AEFFLSMTSA-N 2 2 327.476 1.792 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cn3ccccc3n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767359 155169691 /nfs/dbraw/zinc/16/96/91/155169691.db2.gz RRVNYJKTKDRMMN-AEFFLSMTSA-N 2 2 327.476 1.792 20 0 EDADLP [NH3+]C[C@H]1CCCCN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416893598 304353577 /nfs/dbraw/zinc/35/35/77/304353577.db2.gz PTYYJZSKEDQSHE-QZTJIDSGSA-N 2 2 346.475 1.583 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000352609556 149084954 /nfs/dbraw/zinc/08/49/54/149084954.db2.gz ISYFEUQRNOZDMR-MRXNPFEDSA-N 2 2 349.479 1.036 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000369904558 155223718 /nfs/dbraw/zinc/22/37/18/155223718.db2.gz NIOGIALVAQJXOW-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000369904558 155223719 /nfs/dbraw/zinc/22/37/19/155223719.db2.gz NIOGIALVAQJXOW-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000369904558 155223720 /nfs/dbraw/zinc/22/37/20/155223720.db2.gz NIOGIALVAQJXOW-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000369904558 155223721 /nfs/dbraw/zinc/22/37/21/155223721.db2.gz NIOGIALVAQJXOW-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000352752835 149150576 /nfs/dbraw/zinc/15/05/76/149150576.db2.gz ZIFCPJRXCLCMSX-NSHDSACASA-N 2 2 336.465 1.047 20 0 EDADLP COC(=O)CC1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCOCC1 ZINC000352769872 149157170 /nfs/dbraw/zinc/15/71/70/149157170.db2.gz OELCAJBBIFBKFG-UHFFFAOYSA-N 2 2 327.450 1.407 20 0 EDADLP C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352802733 149171793 /nfs/dbraw/zinc/17/17/93/149171793.db2.gz WJTMZWDOYLYECU-KKUMJFAQSA-N 2 2 334.489 1.460 20 0 EDADLP C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921726 149215308 /nfs/dbraw/zinc/21/53/08/149215308.db2.gz KWOBAAHMPOOZAI-VQTPCSAVSA-N 2 2 335.492 1.713 20 0 EDADLP C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921726 149215311 /nfs/dbraw/zinc/21/53/11/149215311.db2.gz KWOBAAHMPOOZAI-VQTPCSAVSA-N 2 2 335.492 1.713 20 0 EDADLP C[NH+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921726 149215314 /nfs/dbraw/zinc/21/53/14/149215314.db2.gz KWOBAAHMPOOZAI-VQTPCSAVSA-N 2 2 335.492 1.713 20 0 EDADLP C[NH+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921726 149215316 /nfs/dbraw/zinc/21/53/16/149215316.db2.gz KWOBAAHMPOOZAI-VQTPCSAVSA-N 2 2 335.492 1.713 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000354891919 150014914 /nfs/dbraw/zinc/01/49/14/150014914.db2.gz VJHXLBIOGQDOLI-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000354891919 150014917 /nfs/dbraw/zinc/01/49/17/150014917.db2.gz VJHXLBIOGQDOLI-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP CCC(C)(C)NC(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000354903578 150023038 /nfs/dbraw/zinc/02/30/38/150023038.db2.gz IPBPRUVIEUHQAQ-IAGOWNOFSA-N 2 2 338.540 1.782 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2cncnc2)cc[nH+]1 ZINC000354911824 150027555 /nfs/dbraw/zinc/02/75/55/150027555.db2.gz ASVGKXAAQZHJCQ-CABCVRRESA-N 2 2 345.426 1.381 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2cncnc2)cc[nH+]1 ZINC000354911824 150027558 /nfs/dbraw/zinc/02/75/58/150027558.db2.gz ASVGKXAAQZHJCQ-CABCVRRESA-N 2 2 345.426 1.381 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354950692 150050944 /nfs/dbraw/zinc/05/09/44/150050944.db2.gz WHHJPAAFQBOYSS-KXBFYZLASA-N 2 2 343.471 1.617 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354950692 150050945 /nfs/dbraw/zinc/05/09/45/150050945.db2.gz WHHJPAAFQBOYSS-KXBFYZLASA-N 2 2 343.471 1.617 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000416981924 304361019 /nfs/dbraw/zinc/36/10/19/304361019.db2.gz HMUIPDYZNINTCP-OAHLLOKOSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccccc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355076694 150106214 /nfs/dbraw/zinc/10/62/14/150106214.db2.gz YCVGZBVASKUPFB-HNNXBMFYSA-N 2 2 348.466 1.865 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccccc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355076694 150106215 /nfs/dbraw/zinc/10/62/15/150106215.db2.gz YCVGZBVASKUPFB-HNNXBMFYSA-N 2 2 348.466 1.865 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)C1 ZINC000416985333 304361861 /nfs/dbraw/zinc/36/18/61/304361861.db2.gz KYWIPVDHMKAEBU-LZWOXQAQSA-N 2 2 347.463 1.199 20 0 EDADLP C[C@]1(C[NH3+])CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417032759 304363346 /nfs/dbraw/zinc/36/33/46/304363346.db2.gz HPGDLVHDWRXTDU-PKOBYXMFSA-N 2 2 346.475 1.440 20 0 EDADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357642564 151098207 /nfs/dbraw/zinc/09/82/07/151098207.db2.gz BXJDYVDOFWIMIJ-HNNXBMFYSA-N 2 2 349.475 1.801 20 0 EDADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357642564 151098209 /nfs/dbraw/zinc/09/82/09/151098209.db2.gz BXJDYVDOFWIMIJ-HNNXBMFYSA-N 2 2 349.475 1.801 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@@H]2CN(C)c2cc[nH+]c(N(C)C)n2)on1 ZINC000357711268 151121951 /nfs/dbraw/zinc/12/19/51/151121951.db2.gz YPVVELFRGBUKQQ-UONOGXRCSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@@H]2CN(C)c2cc[nH+]c(N(C)C)n2)on1 ZINC000357711268 151121953 /nfs/dbraw/zinc/12/19/53/151121953.db2.gz YPVVELFRGBUKQQ-UONOGXRCSA-N 2 2 348.426 1.888 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)n1C ZINC000357718506 151123557 /nfs/dbraw/zinc/12/35/57/151123557.db2.gz WKLMSDMFKZKERB-INIZCTEOSA-N 2 2 327.432 1.377 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)n1C ZINC000357718506 151123559 /nfs/dbraw/zinc/12/35/59/151123559.db2.gz WKLMSDMFKZKERB-INIZCTEOSA-N 2 2 327.432 1.377 20 0 EDADLP C[N@H+](C[C@@H](O)COc1ccccc1Cl)C1CC[NH+](CCO)CC1 ZINC000357721778 151125877 /nfs/dbraw/zinc/12/58/77/151125877.db2.gz NNMPMLBYLPHJOJ-OAHLLOKOSA-N 2 2 342.867 1.468 20 0 EDADLP C[N@@H+](C[C@@H](O)COc1ccccc1Cl)C1CC[NH+](CCO)CC1 ZINC000357721778 151125879 /nfs/dbraw/zinc/12/58/79/151125879.db2.gz NNMPMLBYLPHJOJ-OAHLLOKOSA-N 2 2 342.867 1.468 20 0 EDADLP CC[C@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@@H+]1CCOC ZINC000357811192 151157982 /nfs/dbraw/zinc/15/79/82/151157982.db2.gz DTAHXLLSPCQMEJ-JKSUJKDBSA-N 2 2 349.479 1.623 20 0 EDADLP CC[C@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@H+]1CCOC ZINC000357811192 151157985 /nfs/dbraw/zinc/15/79/85/151157985.db2.gz DTAHXLLSPCQMEJ-JKSUJKDBSA-N 2 2 349.479 1.623 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)[C@@H](C)C1 ZINC000357987502 151223907 /nfs/dbraw/zinc/22/39/07/151223907.db2.gz DQKOXUHHZWPVEB-HOCLYGCPSA-N 2 2 349.475 1.592 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)[C@@H](C)C1 ZINC000357987502 151223909 /nfs/dbraw/zinc/22/39/09/151223909.db2.gz DQKOXUHHZWPVEB-HOCLYGCPSA-N 2 2 349.475 1.592 20 0 EDADLP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000358032042 151240640 /nfs/dbraw/zinc/24/06/40/151240640.db2.gz BIQZCIGBDQVESY-UHFFFAOYSA-N 2 2 347.459 1.606 20 0 EDADLP CC(=O)c1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000358032042 151240642 /nfs/dbraw/zinc/24/06/42/151240642.db2.gz BIQZCIGBDQVESY-UHFFFAOYSA-N 2 2 347.459 1.606 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417077852 304370766 /nfs/dbraw/zinc/37/07/66/304370766.db2.gz LWJUDRGBNFWVLP-LSDHHAIUSA-N 2 2 331.464 1.867 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000165669489 292253525 /nfs/dbraw/zinc/25/35/25/292253525.db2.gz GNBLUPRHZJFRSH-MSOLQXFVSA-N 2 2 331.460 1.484 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000360345503 152001551 /nfs/dbraw/zinc/00/15/51/152001551.db2.gz VVFZONGPJSQADW-QGZVFWFLSA-N 2 2 335.492 1.432 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000360345503 152001554 /nfs/dbraw/zinc/00/15/54/152001554.db2.gz VVFZONGPJSQADW-QGZVFWFLSA-N 2 2 335.492 1.432 20 0 EDADLP CNC(=O)Cc1noc(C[NH+]2CCC(C[NH+]3CCC(C)CC3)CC2)n1 ZINC000370120682 155333171 /nfs/dbraw/zinc/33/31/71/155333171.db2.gz PMTFQYALSABDMP-UHFFFAOYSA-N 2 2 349.479 1.302 20 0 EDADLP O=C(N1CCCC[C@@H]([NH+]2CCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000360440034 152044249 /nfs/dbraw/zinc/04/42/49/152044249.db2.gz AFFDOQLQDZULNR-QGZVFWFLSA-N 2 2 335.492 1.718 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360546114 152088818 /nfs/dbraw/zinc/08/88/18/152088818.db2.gz MYZATEKOFCXICF-SCLBCKFNSA-N 2 2 330.432 1.059 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360546114 152088824 /nfs/dbraw/zinc/08/88/24/152088824.db2.gz MYZATEKOFCXICF-SCLBCKFNSA-N 2 2 330.432 1.059 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(CCCO)CC2)CC1 ZINC000360562893 152097636 /nfs/dbraw/zinc/09/76/36/152097636.db2.gz ASPNRARVFUCIBD-UHFFFAOYSA-N 2 2 340.512 1.207 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000360571727 152102656 /nfs/dbraw/zinc/10/26/56/152102656.db2.gz VPBKDJRGWVZGQR-PXNSSMCTSA-N 2 2 342.487 1.315 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000360571727 152102658 /nfs/dbraw/zinc/10/26/58/152102658.db2.gz VPBKDJRGWVZGQR-PXNSSMCTSA-N 2 2 342.487 1.315 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000360739709 152178021 /nfs/dbraw/zinc/17/80/21/152178021.db2.gz MUDVFFKYWUZGJO-MRXNPFEDSA-N 2 2 347.507 1.524 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)C[NH+]1CCn2ccnc2C1 ZINC000360739709 152178023 /nfs/dbraw/zinc/17/80/23/152178023.db2.gz MUDVFFKYWUZGJO-MRXNPFEDSA-N 2 2 347.507 1.524 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH+]1 ZINC000360779608 152201066 /nfs/dbraw/zinc/20/10/66/152201066.db2.gz AZAADCPXVYCFAD-AWEZNQCLSA-N 2 2 328.420 1.009 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH+]1 ZINC000360779608 152201069 /nfs/dbraw/zinc/20/10/69/152201069.db2.gz AZAADCPXVYCFAD-AWEZNQCLSA-N 2 2 328.420 1.009 20 0 EDADLP CC(C)[C@H](O)C1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000360793472 152206837 /nfs/dbraw/zinc/20/68/37/152206837.db2.gz PBOHPNKYQMUOBN-SFHVURJKSA-N 2 2 339.524 1.170 20 0 EDADLP CC(C)[C@H](O)C1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000360793472 152206839 /nfs/dbraw/zinc/20/68/39/152206839.db2.gz PBOHPNKYQMUOBN-SFHVURJKSA-N 2 2 339.524 1.170 20 0 EDADLP C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000363771540 153052469 /nfs/dbraw/zinc/05/24/69/153052469.db2.gz XCBKNTHUJDBKNK-DNVCBOLYSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000363771540 153052472 /nfs/dbraw/zinc/05/24/72/153052472.db2.gz XCBKNTHUJDBKNK-DNVCBOLYSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@H](C(=O)NC1CC1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000363771540 153052475 /nfs/dbraw/zinc/05/24/75/153052475.db2.gz XCBKNTHUJDBKNK-DNVCBOLYSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@H](C(=O)NC1CC1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000363771540 153052479 /nfs/dbraw/zinc/05/24/79/153052479.db2.gz XCBKNTHUJDBKNK-DNVCBOLYSA-N 2 2 331.460 1.222 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000364019218 153123966 /nfs/dbraw/zinc/12/39/66/153123966.db2.gz UPAXLDWIZGSBDN-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000364019218 153123971 /nfs/dbraw/zinc/12/39/71/153123971.db2.gz UPAXLDWIZGSBDN-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP c1ccc(CC[NH+]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000364100414 153145345 /nfs/dbraw/zinc/14/53/45/153145345.db2.gz GCPDOSNGGXAWHN-BGYRXZFFSA-N 2 2 329.488 1.710 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCOCC2)cc1 ZINC000417189898 304382609 /nfs/dbraw/zinc/38/26/09/304382609.db2.gz ZKZLJWIUJPBCFQ-WBVHZDCISA-N 2 2 334.464 1.357 20 0 EDADLP COc1ccccc1[C@H](NC(=O)c1coc(C[NH3+])c1)c1[nH+]ccn1C ZINC000364217951 153177562 /nfs/dbraw/zinc/17/75/62/153177562.db2.gz HAESBPAPUNMELY-INIZCTEOSA-N 2 2 340.383 2.000 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000364244054 153185554 /nfs/dbraw/zinc/18/55/54/153185554.db2.gz YFDKGBVIOVPCQX-JXFKEZNVSA-N 2 2 345.487 1.569 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000364250861 153187945 /nfs/dbraw/zinc/18/79/45/153187945.db2.gz NQPGPMDJDNAIJE-HNNXBMFYSA-N 2 2 332.448 1.314 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@H](NC[C@@H]3C[NH+](C4CC4)CCO3)C2)cc1 ZINC000364393356 153226621 /nfs/dbraw/zinc/22/66/21/153226621.db2.gz ZKAUMBYQAJMQHX-AZUAARDMSA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@H](NC[C@@H]3C[NH+](C4CC4)CCO3)C2)cc1 ZINC000364393356 153226622 /nfs/dbraw/zinc/22/66/22/153226622.db2.gz ZKAUMBYQAJMQHX-AZUAARDMSA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[NH+]2CC[C@H](NC[C@@H]3C[N@@H+](C4CC4)CCO3)C2)cc1 ZINC000364393356 153226624 /nfs/dbraw/zinc/22/66/24/153226624.db2.gz ZKAUMBYQAJMQHX-AZUAARDMSA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[NH+]2CC[C@H](NC[C@@H]3C[N@H+](C4CC4)CCO3)C2)cc1 ZINC000364393356 153226626 /nfs/dbraw/zinc/22/66/26/153226626.db2.gz ZKAUMBYQAJMQHX-AZUAARDMSA-N 2 2 329.488 1.756 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000364423863 153232253 /nfs/dbraw/zinc/23/22/53/153232253.db2.gz WMSIFFZCBAGJHG-XHSDSOJGSA-N 2 2 334.464 1.451 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000364423863 153232255 /nfs/dbraw/zinc/23/22/55/153232255.db2.gz WMSIFFZCBAGJHG-XHSDSOJGSA-N 2 2 334.464 1.451 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1OC ZINC000364489838 153250914 /nfs/dbraw/zinc/25/09/14/153250914.db2.gz JDPCWDOMSRWAQI-RDJZCZTQSA-N 2 2 348.491 1.557 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1OC ZINC000364489838 153250916 /nfs/dbraw/zinc/25/09/16/153250916.db2.gz JDPCWDOMSRWAQI-RDJZCZTQSA-N 2 2 348.491 1.557 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)oc1C ZINC000364553236 153267502 /nfs/dbraw/zinc/26/75/02/153267502.db2.gz BGPBRPYIOBNRKV-HNNXBMFYSA-N 2 2 335.448 1.586 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)oc1C ZINC000364553236 153267504 /nfs/dbraw/zinc/26/75/04/153267504.db2.gz BGPBRPYIOBNRKV-HNNXBMFYSA-N 2 2 335.448 1.586 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000364688253 153303625 /nfs/dbraw/zinc/30/36/25/153303625.db2.gz XMLWHSQVQONFAK-GASCZTMLSA-N 2 2 349.479 1.605 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000364688253 153303628 /nfs/dbraw/zinc/30/36/28/153303628.db2.gz XMLWHSQVQONFAK-GASCZTMLSA-N 2 2 349.479 1.605 20 0 EDADLP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000364969339 153386032 /nfs/dbraw/zinc/38/60/32/153386032.db2.gz AILOLRZLGHTKCB-HNNXBMFYSA-N 2 2 334.464 1.986 20 0 EDADLP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)n1 ZINC000366080094 153710140 /nfs/dbraw/zinc/71/01/40/153710140.db2.gz XWPZLVYYIQWDBQ-OAHLLOKOSA-N 2 2 334.464 1.986 20 0 EDADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367137703 154019929 /nfs/dbraw/zinc/01/99/29/154019929.db2.gz KJMCWZFXGOCXLR-CQSZACIVSA-N 2 2 340.493 1.290 20 0 EDADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367137703 154019930 /nfs/dbraw/zinc/01/99/30/154019930.db2.gz KJMCWZFXGOCXLR-CQSZACIVSA-N 2 2 340.493 1.290 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCN2CCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000367359860 154088009 /nfs/dbraw/zinc/08/80/09/154088009.db2.gz CGWQYVNJRFWEEC-SJLPKXTDSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCN2CCNC2=O)CC[N@H+]1Cc1ccccc1 ZINC000367359860 154088010 /nfs/dbraw/zinc/08/80/10/154088010.db2.gz CGWQYVNJRFWEEC-SJLPKXTDSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CCN2CCNC2=O)CC[NH+]1Cc1ccccc1 ZINC000367359860 154088014 /nfs/dbraw/zinc/08/80/14/154088014.db2.gz CGWQYVNJRFWEEC-SJLPKXTDSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2CCNC2=O)CC[NH+]1Cc1ccccc1 ZINC000367359860 154088018 /nfs/dbraw/zinc/08/80/18/154088018.db2.gz CGWQYVNJRFWEEC-SJLPKXTDSA-N 2 2 330.476 1.997 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[C@H]2COCC[NH2+]2)c2[nH+]ccn2C)c1 ZINC000367512746 154154769 /nfs/dbraw/zinc/15/47/69/154154769.db2.gz GFCLBXMAAXFHBL-WMLDXEAASA-N 2 2 344.415 1.013 20 0 EDADLP Cc1[nH+]c2n(c1CN1CC[NH+]([C@@H](C)C(=O)NC3CC3)CC1)CCCC2 ZINC000367885655 154311094 /nfs/dbraw/zinc/31/10/94/154311094.db2.gz MMZJPFIQUVUUII-HNNXBMFYSA-N 2 2 345.491 1.313 20 0 EDADLP Cc1noc(C)c1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369393265 155010205 /nfs/dbraw/zinc/01/02/05/155010205.db2.gz LXBIRFQAGKCQAR-AWEZNQCLSA-N 2 2 335.452 1.259 20 0 EDADLP Cc1noc(C)c1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369393265 155010208 /nfs/dbraw/zinc/01/02/08/155010208.db2.gz LXBIRFQAGKCQAR-AWEZNQCLSA-N 2 2 335.452 1.259 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600758 155106740 /nfs/dbraw/zinc/10/67/40/155106740.db2.gz VHVHDKKVDGZNBP-OLMNPRSZSA-N 2 2 349.425 1.997 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600758 155106744 /nfs/dbraw/zinc/10/67/44/155106744.db2.gz VHVHDKKVDGZNBP-OLMNPRSZSA-N 2 2 349.425 1.997 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600758 155106746 /nfs/dbraw/zinc/10/67/46/155106746.db2.gz VHVHDKKVDGZNBP-OLMNPRSZSA-N 2 2 349.425 1.997 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600758 155106751 /nfs/dbraw/zinc/10/67/51/155106751.db2.gz VHVHDKKVDGZNBP-OLMNPRSZSA-N 2 2 349.425 1.997 20 0 EDADLP Cn1cccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1=O ZINC000369648035 155119987 /nfs/dbraw/zinc/11/99/87/155119987.db2.gz NUECGOIQTNEVGD-UHFFFAOYSA-N 2 2 346.475 1.065 20 0 EDADLP C[C@H](NC(=O)C1(N2CC[NH+](C)CC2)CCCC1)C1=CC[N@H+](C)CC1 ZINC000371652716 156045650 /nfs/dbraw/zinc/04/56/50/156045650.db2.gz ZDXPRBJGJDVOBH-INIZCTEOSA-N 2 2 334.508 1.313 20 0 EDADLP C[C@@H]1CN(Cc2nccn2C(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371694529 156065473 /nfs/dbraw/zinc/06/54/73/156065473.db2.gz UFQVGOQDIYVELJ-CYBMUJFWSA-N 2 2 327.423 1.879 20 0 EDADLP C[C@@H]1CN(Cc2nccn2C(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371694529 156065474 /nfs/dbraw/zinc/06/54/74/156065474.db2.gz UFQVGOQDIYVELJ-CYBMUJFWSA-N 2 2 327.423 1.879 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)C[N@@H+]1C1CC1 ZINC000371891053 156153606 /nfs/dbraw/zinc/15/36/06/156153606.db2.gz BOMUASQCSBIOLF-JKSUJKDBSA-N 2 2 334.508 1.288 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)C[N@H+]1C1CC1 ZINC000371891053 156153610 /nfs/dbraw/zinc/15/36/10/156153610.db2.gz BOMUASQCSBIOLF-JKSUJKDBSA-N 2 2 334.508 1.288 20 0 EDADLP CN(C(=O)Cc1cccc(O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371974030 156191070 /nfs/dbraw/zinc/19/10/70/156191070.db2.gz MYOIXOXEQQAFAC-KRWDZBQOSA-N 2 2 331.460 1.562 20 0 EDADLP CN(C(=O)Cc1cccc(O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371974030 156191073 /nfs/dbraw/zinc/19/10/73/156191073.db2.gz MYOIXOXEQQAFAC-KRWDZBQOSA-N 2 2 331.460 1.562 20 0 EDADLP C[C@@H]1CN(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000575027958 306662863 /nfs/dbraw/zinc/66/28/63/306662863.db2.gz VYQRJEHJGXYLIM-JFIYKMOQSA-N 2 2 338.496 1.210 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CSCC[NH+]2Cc2ccccc2)C1 ZINC000373879824 157045861 /nfs/dbraw/zinc/04/58/61/157045861.db2.gz CSXPCIPHGOMCOX-IAGOWNOFSA-N 2 2 349.500 1.051 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CSCC[NH+]2Cc2ccccc2)C1 ZINC000373879824 157045864 /nfs/dbraw/zinc/04/58/64/157045864.db2.gz CSXPCIPHGOMCOX-IAGOWNOFSA-N 2 2 349.500 1.051 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000373879824 157045867 /nfs/dbraw/zinc/04/58/67/157045867.db2.gz CSXPCIPHGOMCOX-IAGOWNOFSA-N 2 2 349.500 1.051 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000373879824 157045869 /nfs/dbraw/zinc/04/58/69/157045869.db2.gz CSXPCIPHGOMCOX-IAGOWNOFSA-N 2 2 349.500 1.051 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374313889 157239283 /nfs/dbraw/zinc/23/92/83/157239283.db2.gz BKBBRNUMWSTYRW-MAUKXSAKSA-N 2 2 348.535 1.249 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374313889 157239288 /nfs/dbraw/zinc/23/92/88/157239288.db2.gz BKBBRNUMWSTYRW-MAUKXSAKSA-N 2 2 348.535 1.249 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374430002 157287883 /nfs/dbraw/zinc/28/78/83/157287883.db2.gz QUJGQOZOCLNOIQ-GVDBMIGSSA-N 2 2 341.496 1.103 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374430002 157287886 /nfs/dbraw/zinc/28/78/86/157287886.db2.gz QUJGQOZOCLNOIQ-GVDBMIGSSA-N 2 2 341.496 1.103 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@@H]2CCCCN12 ZINC000374504972 157311219 /nfs/dbraw/zinc/31/12/19/157311219.db2.gz MQPUDDGIRZYQPN-MSOLQXFVSA-N 2 2 328.460 1.789 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377879651 158018396 /nfs/dbraw/zinc/01/83/96/158018396.db2.gz MZMRRXSALYUAHZ-LSDHHAIUSA-N 2 2 335.452 1.202 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377879651 158018399 /nfs/dbraw/zinc/01/83/99/158018399.db2.gz MZMRRXSALYUAHZ-LSDHHAIUSA-N 2 2 335.452 1.202 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000378069546 158070772 /nfs/dbraw/zinc/07/07/72/158070772.db2.gz LUIQECWFDWTRFD-INIZCTEOSA-N 2 2 342.447 1.527 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000378069546 158070773 /nfs/dbraw/zinc/07/07/73/158070773.db2.gz LUIQECWFDWTRFD-INIZCTEOSA-N 2 2 342.447 1.527 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000378214256 158112361 /nfs/dbraw/zinc/11/23/61/158112361.db2.gz CQMHJDVAUROYQC-UHFFFAOYSA-N 2 2 347.507 1.229 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000378214256 158112363 /nfs/dbraw/zinc/11/23/63/158112363.db2.gz CQMHJDVAUROYQC-UHFFFAOYSA-N 2 2 347.507 1.229 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000378429620 158171731 /nfs/dbraw/zinc/17/17/31/158171731.db2.gz MQEOPVFOZDIFLE-UHFFFAOYSA-N 2 2 326.387 1.624 20 0 EDADLP Cn1c2ccccc2nc1C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378596056 158216559 /nfs/dbraw/zinc/21/65/59/158216559.db2.gz OJVLIDZNHDBXSH-UHFFFAOYSA-N 2 2 341.459 1.312 20 0 EDADLP Cn1c2ccccc2nc1C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378596056 158216561 /nfs/dbraw/zinc/21/65/61/158216561.db2.gz OJVLIDZNHDBXSH-UHFFFAOYSA-N 2 2 341.459 1.312 20 0 EDADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352382325 162152296 /nfs/dbraw/zinc/15/22/96/162152296.db2.gz NOQXKEFWGGUATD-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP Cn1nccc1-c1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000352406173 162167233 /nfs/dbraw/zinc/16/72/33/162167233.db2.gz LSNGWOVTZWRWFL-SFHVURJKSA-N 2 2 341.459 1.517 20 0 EDADLP Cn1nccc1-c1ccccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000352406173 162167238 /nfs/dbraw/zinc/16/72/38/162167238.db2.gz LSNGWOVTZWRWFL-SFHVURJKSA-N 2 2 341.459 1.517 20 0 EDADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N(Cc1ccccc1)C1CC1 ZINC000352511154 162222334 /nfs/dbraw/zinc/22/23/34/162222334.db2.gz QWJWIPYUZOKOPW-IBGZPJMESA-N 2 2 342.487 1.157 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C[C@H]1CCC[NH+](C)C1 ZINC000355734550 162273955 /nfs/dbraw/zinc/27/39/55/162273955.db2.gz MYTMLLJDPMLLTQ-DOTOQJQBSA-N 2 2 331.460 1.380 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C[C@H]1CCC[NH+](C)C1 ZINC000355734550 162273959 /nfs/dbraw/zinc/27/39/59/162273959.db2.gz MYTMLLJDPMLLTQ-DOTOQJQBSA-N 2 2 331.460 1.380 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1Cc2ccccc2O1)C[C@H]1CCC[N@H+](C)C1 ZINC000355734550 162273963 /nfs/dbraw/zinc/27/39/63/162273963.db2.gz MYTMLLJDPMLLTQ-DOTOQJQBSA-N 2 2 331.460 1.380 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1Cc2ccccc2O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000355734550 162273967 /nfs/dbraw/zinc/27/39/67/162273967.db2.gz MYTMLLJDPMLLTQ-DOTOQJQBSA-N 2 2 331.460 1.380 20 0 EDADLP c1nc(N2CCC[N@@H+](C3CCOCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000365043059 162348600 /nfs/dbraw/zinc/34/86/00/162348600.db2.gz JXMIQUNTRZGKCR-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP c1nc(N2CCC[N@H+](C3CCOCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000365043059 162348605 /nfs/dbraw/zinc/34/86/05/162348605.db2.gz JXMIQUNTRZGKCR-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[NH3+])[nH+]c12 ZINC000418008876 304445466 /nfs/dbraw/zinc/44/54/66/304445466.db2.gz DVTSVOQNENCCJS-UHFFFAOYSA-N 2 2 326.198 1.163 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000078541762 287294397 /nfs/dbraw/zinc/29/43/97/287294397.db2.gz ALLZGFJXLSIHOI-RDJZCZTQSA-N 2 2 329.448 1.744 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000119622376 287354238 /nfs/dbraw/zinc/35/42/38/287354238.db2.gz XVFVLSHZAMMYON-UHFFFAOYSA-N 2 2 337.468 1.334 20 0 EDADLP O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1C[NH2+]CCO1 ZINC000168595222 226219681 /nfs/dbraw/zinc/21/96/81/226219681.db2.gz JZANCZJFDHWZBZ-LRDDRELGSA-N 2 2 339.386 1.034 20 0 EDADLP O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1C[NH2+]CCO1 ZINC000168595222 226219684 /nfs/dbraw/zinc/21/96/84/226219684.db2.gz JZANCZJFDHWZBZ-LRDDRELGSA-N 2 2 339.386 1.034 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000194147103 273000784 /nfs/dbraw/zinc/00/07/84/273000784.db2.gz XTOJUCFYYJWVLT-SOLBZPMBSA-N 2 2 340.512 1.517 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(C)(C)C[NH3+])CC2 ZINC000237289204 273008870 /nfs/dbraw/zinc/00/88/70/273008870.db2.gz DOOXIAPTLWABQZ-UHFFFAOYSA-N 2 2 335.448 1.163 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(C)(C)C[NH3+])CC2 ZINC000237289204 273008871 /nfs/dbraw/zinc/00/88/71/273008871.db2.gz DOOXIAPTLWABQZ-UHFFFAOYSA-N 2 2 335.448 1.163 20 0 EDADLP COc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000258839442 273016983 /nfs/dbraw/zinc/01/69/83/273016983.db2.gz DZXWIIDUBMCIJN-CYBMUJFWSA-N 2 2 328.254 1.451 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccsc2)CC1 ZINC000274250798 273079952 /nfs/dbraw/zinc/07/99/52/273079952.db2.gz YVWHLADZMFAOIU-OAHLLOKOSA-N 2 2 326.462 1.789 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)[NH+](C)C ZINC000275618960 273114077 /nfs/dbraw/zinc/11/40/77/273114077.db2.gz MEKYEOBMVPNKTF-GOEBONIOSA-N 2 2 334.464 1.714 20 0 EDADLP CC(C)c1cc(N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)nc(C(C)C)[nH+]1 ZINC000275741751 273124601 /nfs/dbraw/zinc/12/46/01/273124601.db2.gz PRJKQWQCWWNATA-CQSZACIVSA-N 2 2 349.479 1.346 20 0 EDADLP CC(C)c1cc(N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)nc(C(C)C)[nH+]1 ZINC000275741751 273124603 /nfs/dbraw/zinc/12/46/03/273124603.db2.gz PRJKQWQCWWNATA-CQSZACIVSA-N 2 2 349.479 1.346 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000275775647 273127848 /nfs/dbraw/zinc/12/78/48/273127848.db2.gz GAWOTGHAGMWDPZ-UHFFFAOYSA-N 2 2 328.416 1.384 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000275775647 273127849 /nfs/dbraw/zinc/12/78/49/273127849.db2.gz GAWOTGHAGMWDPZ-UHFFFAOYSA-N 2 2 328.416 1.384 20 0 EDADLP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000105081482 272919997 /nfs/dbraw/zinc/91/99/97/272919997.db2.gz IIJVQFMWWFWGEU-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP CN1CCN(c2cc(NC[C@H]3CCCC[N@@H+]3C3CC3)nc[nH+]2)CC1=O ZINC000277432258 273196582 /nfs/dbraw/zinc/19/65/82/273196582.db2.gz MJYQDIKMIZOQCS-OAHLLOKOSA-N 2 2 344.463 1.184 20 0 EDADLP CN1CCN(c2cc(NC[C@H]3CCCC[N@H+]3C3CC3)nc[nH+]2)CC1=O ZINC000277432258 273196583 /nfs/dbraw/zinc/19/65/83/273196583.db2.gz MJYQDIKMIZOQCS-OAHLLOKOSA-N 2 2 344.463 1.184 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000277761480 273224450 /nfs/dbraw/zinc/22/44/50/273224450.db2.gz CVOVKYSSEPRCKN-UHFFFAOYSA-N 2 2 343.471 1.877 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000281382841 273467475 /nfs/dbraw/zinc/46/74/75/273467475.db2.gz FRVIOAHEIOLNMS-UHFFFAOYSA-N 2 2 327.388 1.683 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000360029419 274355939 /nfs/dbraw/zinc/35/59/39/274355939.db2.gz NFIMDEIJQWZSAC-WBVHZDCISA-N 2 2 346.475 1.164 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000360029419 274355943 /nfs/dbraw/zinc/35/59/43/274355943.db2.gz NFIMDEIJQWZSAC-WBVHZDCISA-N 2 2 346.475 1.164 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000354147091 274379372 /nfs/dbraw/zinc/37/93/72/274379372.db2.gz REAUBULRNIXWDH-QAPCUYQASA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000354147091 274379374 /nfs/dbraw/zinc/37/93/74/274379374.db2.gz REAUBULRNIXWDH-QAPCUYQASA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354147091 274379375 /nfs/dbraw/zinc/37/93/75/274379375.db2.gz REAUBULRNIXWDH-QAPCUYQASA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000354147091 274379377 /nfs/dbraw/zinc/37/93/77/274379377.db2.gz REAUBULRNIXWDH-QAPCUYQASA-N 2 2 349.450 1.627 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21)[NH+]1CCOCC1 ZINC000366492494 275699197 /nfs/dbraw/zinc/69/91/97/275699197.db2.gz GJYVIGCMHKKGED-HOTGVXAUSA-N 2 2 349.479 1.417 20 0 EDADLP CCC[C@@H](C(=O)OCC)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343756578 276021674 /nfs/dbraw/zinc/02/16/74/276021674.db2.gz ZFJZRFFPPFEOSB-RDJZCZTQSA-N 2 2 325.497 1.819 20 0 EDADLP CCC[C@@H](C(=O)OCC)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343756578 276021675 /nfs/dbraw/zinc/02/16/75/276021675.db2.gz ZFJZRFFPPFEOSB-RDJZCZTQSA-N 2 2 325.497 1.819 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3nc(C)cc3C)C2)CC1 ZINC000375794893 276190861 /nfs/dbraw/zinc/19/08/61/276190861.db2.gz POZPKBHVCIPMNY-ZWKOTPCHSA-N 2 2 347.507 1.689 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](n3nc(C)cc3C)C2)CC1 ZINC000375794893 276190862 /nfs/dbraw/zinc/19/08/62/276190862.db2.gz POZPKBHVCIPMNY-ZWKOTPCHSA-N 2 2 347.507 1.689 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4c(s3)CCOC4)C2)CC1 ZINC000369269402 277028556 /nfs/dbraw/zinc/02/85/56/277028556.db2.gz WJVGSFKLGXFDQK-AWEZNQCLSA-N 2 2 349.500 1.719 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4c(s3)CCOC4)C2)CC1 ZINC000369269402 277028558 /nfs/dbraw/zinc/02/85/58/277028558.db2.gz WJVGSFKLGXFDQK-AWEZNQCLSA-N 2 2 349.500 1.719 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495681055 277222202 /nfs/dbraw/zinc/22/22/02/277222202.db2.gz YKOWTWJZXDKLHL-GDBMZVCRSA-N 2 2 341.496 1.942 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495681055 277222204 /nfs/dbraw/zinc/22/22/04/277222204.db2.gz YKOWTWJZXDKLHL-GDBMZVCRSA-N 2 2 341.496 1.942 20 0 EDADLP CSC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000369234713 278137535 /nfs/dbraw/zinc/13/75/35/278137535.db2.gz FDJAIOFPJYBLPC-NUEKZKHPSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000369234713 278137537 /nfs/dbraw/zinc/13/75/37/278137537.db2.gz FDJAIOFPJYBLPC-NUEKZKHPSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000369234713 278137540 /nfs/dbraw/zinc/13/75/40/278137540.db2.gz FDJAIOFPJYBLPC-NUEKZKHPSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000369234713 278137542 /nfs/dbraw/zinc/13/75/42/278137542.db2.gz FDJAIOFPJYBLPC-NUEKZKHPSA-N 2 2 326.510 1.459 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360553651 278154038 /nfs/dbraw/zinc/15/40/38/278154038.db2.gz TVBJTCNMEBZGRD-IDHHARJASA-N 2 2 329.444 1.700 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360553651 278154042 /nfs/dbraw/zinc/15/40/42/278154042.db2.gz TVBJTCNMEBZGRD-IDHHARJASA-N 2 2 329.444 1.700 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107833417 278193961 /nfs/dbraw/zinc/19/39/61/278193961.db2.gz GJBPHRZBUGWASM-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000337524185 278221948 /nfs/dbraw/zinc/22/19/48/278221948.db2.gz ALACBHRMIDJISG-ILXRZTDVSA-N 2 2 337.468 1.459 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000417836034 278222980 /nfs/dbraw/zinc/22/29/80/278222980.db2.gz UNEYHUIQVVVTFN-AWEZNQCLSA-N 2 2 328.420 1.647 20 0 EDADLP NC(=O)C[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286580196 288038690 /nfs/dbraw/zinc/03/86/90/288038690.db2.gz WOBPNNRMWGDMRK-SFHVURJKSA-N 2 2 344.503 1.786 20 0 EDADLP NC(=O)C[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286580196 288038693 /nfs/dbraw/zinc/03/86/93/288038693.db2.gz WOBPNNRMWGDMRK-SFHVURJKSA-N 2 2 344.503 1.786 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)C1 ZINC000286636981 288051438 /nfs/dbraw/zinc/05/14/38/288051438.db2.gz ZQISOGIXQSKSBQ-FUHWJXTLSA-N 2 2 343.427 1.557 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)C1 ZINC000286636981 288051439 /nfs/dbraw/zinc/05/14/39/288051439.db2.gz ZQISOGIXQSKSBQ-FUHWJXTLSA-N 2 2 343.427 1.557 20 0 EDADLP CC[N@H+](CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1)C1CC1 ZINC000338381981 279056161 /nfs/dbraw/zinc/05/61/61/279056161.db2.gz FCFXBEQGSZIACI-LJQANCHMSA-N 2 2 345.487 1.969 20 0 EDADLP CC[N@@H+](CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1)C1CC1 ZINC000338381981 279056163 /nfs/dbraw/zinc/05/61/63/279056163.db2.gz FCFXBEQGSZIACI-LJQANCHMSA-N 2 2 345.487 1.969 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccco1 ZINC000101660453 279163596 /nfs/dbraw/zinc/16/35/96/279163596.db2.gz KBJDCLOQMZQGJR-HZPDHXFCSA-N 2 2 336.480 1.415 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000106524199 279366568 /nfs/dbraw/zinc/36/65/68/279366568.db2.gz RYNHWTZLSVMTIO-GOSISDBHSA-N 2 2 349.523 1.035 20 0 EDADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418319057 288154375 /nfs/dbraw/zinc/15/43/75/288154375.db2.gz QNARFKGFSKFEIM-MRXNPFEDSA-N 2 2 340.418 1.963 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343661914 279885403 /nfs/dbraw/zinc/88/54/03/279885403.db2.gz HFLMOJMFZYDBFG-WMLDXEAASA-N 2 2 328.460 1.897 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000648149997 452860866 /nfs/dbraw/zinc/86/08/66/452860866.db2.gz DEDMWQWCYVTBTB-HNNXBMFYSA-N 2 2 325.840 1.521 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000648149997 452860878 /nfs/dbraw/zinc/86/08/78/452860878.db2.gz DEDMWQWCYVTBTB-HNNXBMFYSA-N 2 2 325.840 1.521 20 0 EDADLP CCO[C@H](C)c1noc(CN2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262039559 279895003 /nfs/dbraw/zinc/89/50/03/279895003.db2.gz OZOHHJBCOSTNJE-PBHICJAKSA-N 2 2 337.468 1.284 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000376171568 279953330 /nfs/dbraw/zinc/95/33/30/279953330.db2.gz IDRZBZIYOZAVBL-WMLDXEAASA-N 2 2 332.448 1.078 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000236651498 280236940 /nfs/dbraw/zinc/23/69/40/280236940.db2.gz KPUWVFWHCLZWFW-UONOGXRCSA-N 2 2 325.478 1.469 20 0 EDADLP CC[C@H]1C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000495855105 288289810 /nfs/dbraw/zinc/28/98/10/288289810.db2.gz AFEOVBFNEQIILA-GOEBONIOSA-N 2 2 325.478 1.688 20 0 EDADLP CC[C@H]1C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000495855105 288289812 /nfs/dbraw/zinc/28/98/12/288289812.db2.gz AFEOVBFNEQIILA-GOEBONIOSA-N 2 2 325.478 1.688 20 0 EDADLP CC1(C)C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000495913069 281241790 /nfs/dbraw/zinc/24/17/90/281241790.db2.gz PBQFDXPLUGLMCW-INIZCTEOSA-N 2 2 325.478 1.688 20 0 EDADLP CC1(C)C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000495913069 281241791 /nfs/dbraw/zinc/24/17/91/281241791.db2.gz PBQFDXPLUGLMCW-INIZCTEOSA-N 2 2 325.478 1.688 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000152176220 281538828 /nfs/dbraw/zinc/53/88/28/281538828.db2.gz KCAHMJQTVIBEPQ-JKSUJKDBSA-N 2 2 349.479 1.513 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000350099373 288347084 /nfs/dbraw/zinc/34/70/84/288347084.db2.gz NHMIEIALFYZYMU-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000350099373 288347086 /nfs/dbraw/zinc/34/70/86/288347086.db2.gz NHMIEIALFYZYMU-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP COCC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073978499 292670517 /nfs/dbraw/zinc/67/05/17/292670517.db2.gz ZYEQLKWOLLEZOC-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000289305098 288670669 /nfs/dbraw/zinc/67/06/69/288670669.db2.gz IREUNQMMADYDOS-UHFFFAOYSA-N 2 2 325.416 1.943 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000289656038 288753408 /nfs/dbraw/zinc/75/34/08/288753408.db2.gz ILXGOPKOTVTOJC-INIZCTEOSA-N 2 2 334.445 1.588 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000289758123 288774178 /nfs/dbraw/zinc/77/41/78/288774178.db2.gz HUONLBBVRSVOKN-IUODEOHRSA-N 2 2 330.388 1.330 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000289946066 288808784 /nfs/dbraw/zinc/80/87/84/288808784.db2.gz LUIBCTPPRAQJNZ-SQNIBIBYSA-N 2 2 331.460 1.564 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CCn3c[nH+]cc3C2)Cc2ccccc2C1 ZINC000291040826 288993144 /nfs/dbraw/zinc/99/31/44/288993144.db2.gz OAEAURXUPBZUQB-UHFFFAOYSA-N 2 2 339.443 1.508 20 0 EDADLP COCC[C@@H]1COCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000291282848 289030622 /nfs/dbraw/zinc/03/06/22/289030622.db2.gz QNRXDLUTJXYJDR-QZTJIDSGSA-N 2 2 349.475 1.143 20 0 EDADLP COCC[C@@H]1COCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000291282848 289030623 /nfs/dbraw/zinc/03/06/23/289030623.db2.gz QNRXDLUTJXYJDR-QZTJIDSGSA-N 2 2 349.475 1.143 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@](C)(O)c2ccsc2)CC1 ZINC000291321971 289037686 /nfs/dbraw/zinc/03/76/86/289037686.db2.gz YWPDFIUGNUCYKF-KRWDZBQOSA-N 2 2 340.489 1.963 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1(CO)CCC1 ZINC000292167935 289279710 /nfs/dbraw/zinc/27/97/10/289279710.db2.gz PKAVAZWKKCWDDO-UHFFFAOYSA-N 2 2 331.460 1.178 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1(CO)CCC1 ZINC000292167935 289279714 /nfs/dbraw/zinc/27/97/14/289279714.db2.gz PKAVAZWKKCWDDO-UHFFFAOYSA-N 2 2 331.460 1.178 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC1(C[NH+](C)C)CCCC1)[NH+]1CCOCC1 ZINC000185665183 290204020 /nfs/dbraw/zinc/20/40/20/290204020.db2.gz LDWZBSBQHIWQQX-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@H](C)O1 ZINC000342765000 297017988 /nfs/dbraw/zinc/01/79/88/297017988.db2.gz LHJNREBTYXXLFK-LJISPDSOSA-N 2 2 345.434 1.331 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@H](C)O1 ZINC000342765000 297017990 /nfs/dbraw/zinc/01/79/90/297017990.db2.gz LHJNREBTYXXLFK-LJISPDSOSA-N 2 2 345.434 1.331 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CCN1C ZINC000423872881 294420794 /nfs/dbraw/zinc/42/07/94/294420794.db2.gz QNVXLVXQEZTOKV-HOTGVXAUSA-N 2 2 345.422 1.117 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000238019117 295328689 /nfs/dbraw/zinc/32/86/89/295328689.db2.gz ASVAGTRNNPVMPS-MOPGFXCFSA-N 2 2 339.439 1.876 20 0 EDADLP [NH3+]C1(CNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CCCCCC1 ZINC000419234869 304579325 /nfs/dbraw/zinc/57/93/25/304579325.db2.gz IKWXXYIUDMGTAU-UHFFFAOYSA-N 2 2 343.431 1.118 20 0 EDADLP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000344891779 298927239 /nfs/dbraw/zinc/92/72/39/298927239.db2.gz UUUGHDSCUYRAFB-XUWXXGDYSA-N 2 2 342.447 1.489 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCOC2(C)C)CC1 ZINC000664540228 453180230 /nfs/dbraw/zinc/18/02/30/453180230.db2.gz WBJNCKHEOXTKRX-AWEZNQCLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000294217180 303078620 /nfs/dbraw/zinc/07/86/20/303078620.db2.gz LQELQUPMLCWYPW-QAPCUYQASA-N 2 2 333.476 1.856 20 0 EDADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000294217180 303078621 /nfs/dbraw/zinc/07/86/21/303078621.db2.gz LQELQUPMLCWYPW-QAPCUYQASA-N 2 2 333.476 1.856 20 0 EDADLP CC(C)(CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCOCC1 ZINC000294387654 303100677 /nfs/dbraw/zinc/10/06/77/303100677.db2.gz OMKWIYHSKTWHOW-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCCC[NH+]1CCOCC1 ZINC000372866434 447326895 /nfs/dbraw/zinc/32/68/95/447326895.db2.gz PZUHHXYIRCHWBX-UHFFFAOYSA-N 2 2 334.464 1.680 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153475 /nfs/dbraw/zinc/15/34/75/303153475.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 3 2 331.504 1.726 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153476 /nfs/dbraw/zinc/15/34/76/303153476.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 3 2 331.504 1.726 20 0 EDADLP CC[NH+]1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153478 /nfs/dbraw/zinc/15/34/78/303153478.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 3 2 331.504 1.726 20 0 EDADLP CC[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1CCOC ZINC000295878314 303278946 /nfs/dbraw/zinc/27/89/46/303278946.db2.gz PKOFWKKJURHWBS-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP CC[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1CCOC ZINC000295878314 303278949 /nfs/dbraw/zinc/27/89/49/303278949.db2.gz PKOFWKKJURHWBS-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000295992209 303287787 /nfs/dbraw/zinc/28/77/87/303287787.db2.gz NVHJSOXTHKBQOJ-PMACEKPBSA-N 2 2 342.487 1.917 20 0 EDADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000295992209 303287788 /nfs/dbraw/zinc/28/77/88/303287788.db2.gz NVHJSOXTHKBQOJ-PMACEKPBSA-N 2 2 342.487 1.917 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000493448091 447331792 /nfs/dbraw/zinc/33/17/92/447331792.db2.gz FTIGJVQDWJWXJN-PLNGDYQASA-N 2 2 328.420 2.018 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423077375 304884346 /nfs/dbraw/zinc/88/43/46/304884346.db2.gz LXZBNVGYMJTFMR-BPLDGKMQSA-N 2 2 328.403 1.472 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1c[nH+]ccc1N ZINC000423112712 304886987 /nfs/dbraw/zinc/88/69/87/304886987.db2.gz KASTZIGXBACNKQ-MLGOLLRUSA-N 2 2 326.400 1.785 20 0 EDADLP CC(C)(C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423432220 304896075 /nfs/dbraw/zinc/89/60/75/304896075.db2.gz JFBXTVNFMQJFNQ-OAHLLOKOSA-N 2 2 346.475 1.121 20 0 EDADLP COC1(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CC[NH2+]CC1 ZINC000423744824 304907560 /nfs/dbraw/zinc/90/75/60/304907560.db2.gz OPOPRSXQDIYLBF-OAHLLOKOSA-N 2 2 349.450 1.800 20 0 EDADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923447 304917319 /nfs/dbraw/zinc/91/73/19/304917319.db2.gz CAMNTEQOFRYKOD-SOUVJXGZSA-N 2 2 348.422 1.362 20 0 EDADLP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CC[NH+](CC(F)F)CC1 ZINC000423982194 304922166 /nfs/dbraw/zinc/92/21/66/304922166.db2.gz UHWAXZPRSMDEBL-JKSUJKDBSA-N 2 2 337.414 1.835 20 0 EDADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425892761 304976222 /nfs/dbraw/zinc/97/62/22/304976222.db2.gz ACAWTAMHXAIVEK-MOPGFXCFSA-N 3 2 348.491 1.609 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000428029084 305004316 /nfs/dbraw/zinc/00/43/16/305004316.db2.gz CURUBCNDQYPAOZ-GDBMZVCRSA-N 2 2 330.432 1.635 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000428029084 305004317 /nfs/dbraw/zinc/00/43/17/305004317.db2.gz CURUBCNDQYPAOZ-GDBMZVCRSA-N 2 2 330.432 1.635 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428044773 305005404 /nfs/dbraw/zinc/00/54/04/305005404.db2.gz VMNBDPBRNAMDPY-MUIFIZLQSA-N 2 2 329.444 1.699 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428044773 305005405 /nfs/dbraw/zinc/00/54/05/305005405.db2.gz VMNBDPBRNAMDPY-MUIFIZLQSA-N 2 2 329.444 1.699 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCCCSc1ccccc1 ZINC000428054902 305005832 /nfs/dbraw/zinc/00/58/32/305005832.db2.gz PKVGSMFQDBRUGN-RDJZCZTQSA-N 2 2 333.501 1.969 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCCCSc1ccccc1 ZINC000428054902 305005833 /nfs/dbraw/zinc/00/58/33/305005833.db2.gz PKVGSMFQDBRUGN-RDJZCZTQSA-N 2 2 333.501 1.969 20 0 EDADLP Cc1nnc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)[nH]1 ZINC000428482692 305009744 /nfs/dbraw/zinc/00/97/44/305009744.db2.gz MXQNBAPSOGRXMI-STQMWFEESA-N 2 2 348.430 1.018 20 0 EDADLP Cc1nnc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)[nH]1 ZINC000428482692 305009745 /nfs/dbraw/zinc/00/97/45/305009745.db2.gz MXQNBAPSOGRXMI-STQMWFEESA-N 2 2 348.430 1.018 20 0 EDADLP Cn1c(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)nc2ccccc21 ZINC000428706469 305015175 /nfs/dbraw/zinc/01/51/75/305015175.db2.gz ALHOWVBGNFZNNE-UHFFFAOYSA-N 2 2 329.448 1.169 20 0 EDADLP Cn1c(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)nc2ccccc21 ZINC000428706469 305015176 /nfs/dbraw/zinc/01/51/76/305015176.db2.gz ALHOWVBGNFZNNE-UHFFFAOYSA-N 2 2 329.448 1.169 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000429527840 305031425 /nfs/dbraw/zinc/03/14/25/305031425.db2.gz HNHHPQDOCHJBHH-IRXDYDNUSA-N 2 2 331.460 1.522 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000429527840 305031426 /nfs/dbraw/zinc/03/14/26/305031426.db2.gz HNHHPQDOCHJBHH-IRXDYDNUSA-N 2 2 331.460 1.522 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000430630331 305060271 /nfs/dbraw/zinc/06/02/71/305060271.db2.gz YGBNRPAMPOSPEX-RDTXWAMCSA-N 2 2 347.459 1.741 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000430630331 305060272 /nfs/dbraw/zinc/06/02/72/305060272.db2.gz YGBNRPAMPOSPEX-RDTXWAMCSA-N 2 2 347.459 1.741 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430634387 305060565 /nfs/dbraw/zinc/06/05/65/305060565.db2.gz ROKXAYICIPSGEH-OAHLLOKOSA-N 2 2 335.448 1.251 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430634387 305060566 /nfs/dbraw/zinc/06/05/66/305060566.db2.gz ROKXAYICIPSGEH-OAHLLOKOSA-N 2 2 335.448 1.251 20 0 EDADLP COCC[C@@]1(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]C1 ZINC000430872130 305066523 /nfs/dbraw/zinc/06/65/23/305066523.db2.gz ZPKDCNQVJQZCHB-KUHUBIRLSA-N 2 2 348.491 1.628 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000430921303 305068046 /nfs/dbraw/zinc/06/80/46/305068046.db2.gz SOZPQVLFXIRBBI-AWEZNQCLSA-N 2 2 342.443 1.565 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000430921303 305068047 /nfs/dbraw/zinc/06/80/47/305068047.db2.gz SOZPQVLFXIRBBI-AWEZNQCLSA-N 2 2 342.443 1.565 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430926763 305068742 /nfs/dbraw/zinc/06/87/42/305068742.db2.gz HBULDTSNSAVTDO-OAHLLOKOSA-N 2 2 334.439 1.016 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430926763 305068743 /nfs/dbraw/zinc/06/87/43/305068743.db2.gz HBULDTSNSAVTDO-OAHLLOKOSA-N 2 2 334.439 1.016 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430934356 305069065 /nfs/dbraw/zinc/06/90/65/305069065.db2.gz LXTXLALIMRGNBL-UONOGXRCSA-N 2 2 335.448 1.552 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430934356 305069066 /nfs/dbraw/zinc/06/90/66/305069066.db2.gz LXTXLALIMRGNBL-UONOGXRCSA-N 2 2 335.448 1.552 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH2+]C)C2)c1 ZINC000430934238 305069114 /nfs/dbraw/zinc/06/91/14/305069114.db2.gz ODADDRZKCKXMAG-HNNXBMFYSA-N 2 2 346.475 1.648 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](C[NH2+]C)C2)c1 ZINC000430934238 305069115 /nfs/dbraw/zinc/06/91/15/305069115.db2.gz ODADDRZKCKXMAG-HNNXBMFYSA-N 2 2 346.475 1.648 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000430935624 305069281 /nfs/dbraw/zinc/06/92/81/305069281.db2.gz UPGZUCJHYKWPIK-HOTGVXAUSA-N 2 2 346.475 1.336 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000430935624 305069282 /nfs/dbraw/zinc/06/92/82/305069282.db2.gz UPGZUCJHYKWPIK-HOTGVXAUSA-N 2 2 346.475 1.336 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430934999 305069287 /nfs/dbraw/zinc/06/92/87/305069287.db2.gz OUBFEJUTZTYQQR-HKUYNNGSSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430934999 305069288 /nfs/dbraw/zinc/06/92/88/305069288.db2.gz OUBFEJUTZTYQQR-HKUYNNGSSA-N 3 2 344.503 1.308 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430952925 305070460 /nfs/dbraw/zinc/07/04/60/305070460.db2.gz RHPZLYFBBHBZGQ-CVEARBPZSA-N 2 2 347.459 1.216 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430952925 305070461 /nfs/dbraw/zinc/07/04/61/305070461.db2.gz RHPZLYFBBHBZGQ-CVEARBPZSA-N 2 2 347.459 1.216 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430966198 305071537 /nfs/dbraw/zinc/07/15/37/305071537.db2.gz NZTKDGHMCVPATL-GJZGRUSLSA-N 2 2 344.459 1.682 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430966198 305071538 /nfs/dbraw/zinc/07/15/38/305071538.db2.gz NZTKDGHMCVPATL-GJZGRUSLSA-N 2 2 344.459 1.682 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000430973068 305071818 /nfs/dbraw/zinc/07/18/18/305071818.db2.gz VMXZYSRRCGDIAA-DOMZBBRYSA-N 2 2 325.840 1.504 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000430973068 305071819 /nfs/dbraw/zinc/07/18/19/305071819.db2.gz VMXZYSRRCGDIAA-DOMZBBRYSA-N 2 2 325.840 1.504 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000431001851 305072321 /nfs/dbraw/zinc/07/23/21/305072321.db2.gz XDCXKFPURPDBQV-KRWDZBQOSA-N 2 2 345.447 1.359 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000431001851 305072322 /nfs/dbraw/zinc/07/23/22/305072322.db2.gz XDCXKFPURPDBQV-KRWDZBQOSA-N 2 2 345.447 1.359 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000431035824 305073397 /nfs/dbraw/zinc/07/33/97/305073397.db2.gz UMESEWFIZFUVHE-SFHVURJKSA-N 2 2 348.491 1.085 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000431035824 305073398 /nfs/dbraw/zinc/07/33/98/305073398.db2.gz UMESEWFIZFUVHE-SFHVURJKSA-N 2 2 348.491 1.085 20 0 EDADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000431053910 305073781 /nfs/dbraw/zinc/07/37/81/305073781.db2.gz BHCHYFUMHYIQMD-UHFFFAOYSA-N 2 2 344.459 1.433 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2nc(C(C)(C)[NH3+])no2)C[C@H](C)O1 ZINC000431066469 305074001 /nfs/dbraw/zinc/07/40/01/305074001.db2.gz NNMNVGDNMAAXPF-HZSPNIEDSA-N 2 2 337.468 1.337 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2nc(C(C)(C)[NH3+])no2)C[C@H](C)O1 ZINC000431066469 305074002 /nfs/dbraw/zinc/07/40/02/305074002.db2.gz NNMNVGDNMAAXPF-HZSPNIEDSA-N 2 2 337.468 1.337 20 0 EDADLP CCN1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433474591 305110464 /nfs/dbraw/zinc/11/04/64/305110464.db2.gz KGLAOSYBTBYICS-IAGOWNOFSA-N 2 2 341.459 1.918 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N(CC2CC2)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000434893763 305132650 /nfs/dbraw/zinc/13/26/50/305132650.db2.gz DDLCBURUGJIPMN-IRXDYDNUSA-N 2 2 338.496 1.223 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N(CC2CC2)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000434893763 305132651 /nfs/dbraw/zinc/13/26/51/305132651.db2.gz DDLCBURUGJIPMN-IRXDYDNUSA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000434893763 305132652 /nfs/dbraw/zinc/13/26/52/305132652.db2.gz DDLCBURUGJIPMN-IRXDYDNUSA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000434893763 305132653 /nfs/dbraw/zinc/13/26/53/305132653.db2.gz DDLCBURUGJIPMN-IRXDYDNUSA-N 2 2 338.496 1.223 20 0 EDADLP CC[N@H+](CCNC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000434990587 305133894 /nfs/dbraw/zinc/13/38/94/305133894.db2.gz HZIREHSNNKOJAY-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP CC[N@@H+](CCNC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000434990587 305133895 /nfs/dbraw/zinc/13/38/95/305133895.db2.gz HZIREHSNNKOJAY-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+](CCNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000434990587 305133896 /nfs/dbraw/zinc/13/38/96/305133896.db2.gz HZIREHSNNKOJAY-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+](CCNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000434990587 305133897 /nfs/dbraw/zinc/13/38/97/305133897.db2.gz HZIREHSNNKOJAY-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000435236478 305137489 /nfs/dbraw/zinc/13/74/89/305137489.db2.gz SQGOATJKIHOZDZ-QGZVFWFLSA-N 2 2 348.516 1.219 20 0 EDADLP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)c2O1 ZINC000435380367 305139553 /nfs/dbraw/zinc/13/95/53/305139553.db2.gz QRLSNBYHJYHOCG-KRWDZBQOSA-N 2 2 343.471 1.796 20 0 EDADLP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)c2O1 ZINC000435380367 305139554 /nfs/dbraw/zinc/13/95/54/305139554.db2.gz QRLSNBYHJYHOCG-KRWDZBQOSA-N 2 2 343.471 1.796 20 0 EDADLP CC(C)[C@H](C)NC(=O)CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695938 305145567 /nfs/dbraw/zinc/14/55/67/305145567.db2.gz OSTYGOGKQGJBIH-JKSUJKDBSA-N 2 2 347.507 1.525 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1nc(C)no1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698705 305145666 /nfs/dbraw/zinc/14/56/66/305145666.db2.gz WZYHFDGSDUTQBL-AWEZNQCLSA-N 2 2 330.436 1.739 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccnc1 ZINC000436209660 305154181 /nfs/dbraw/zinc/15/41/81/305154181.db2.gz LJEBCFFIMDNEAB-GOSISDBHSA-N 2 2 332.492 1.963 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccnc1 ZINC000436209661 305154281 /nfs/dbraw/zinc/15/42/81/305154281.db2.gz LJEBCFFIMDNEAB-SFHVURJKSA-N 2 2 332.492 1.963 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ncnn2CCF)[C@@H](C)C1 ZINC000440531724 305209438 /nfs/dbraw/zinc/20/94/38/305209438.db2.gz CUWYMKXMPLVPMZ-LSDHHAIUSA-N 2 2 327.448 1.474 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ncnn2CCF)[C@@H](C)C1 ZINC000440531724 305209439 /nfs/dbraw/zinc/20/94/39/305209439.db2.gz CUWYMKXMPLVPMZ-LSDHHAIUSA-N 2 2 327.448 1.474 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000442974144 305232442 /nfs/dbraw/zinc/23/24/42/305232442.db2.gz BGSCUFCTRWFNNA-MRXNPFEDSA-N 2 2 348.472 1.694 20 0 EDADLP CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000442974144 305232443 /nfs/dbraw/zinc/23/24/43/305232443.db2.gz BGSCUFCTRWFNNA-MRXNPFEDSA-N 2 2 348.472 1.694 20 0 EDADLP COc1nccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000449145408 305307855 /nfs/dbraw/zinc/30/78/55/305307855.db2.gz XVCWKNWWISODFM-PBHICJAKSA-N 2 2 327.432 1.880 20 0 EDADLP COc1nccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000449145408 305307856 /nfs/dbraw/zinc/30/78/56/305307856.db2.gz XVCWKNWWISODFM-PBHICJAKSA-N 2 2 327.432 1.880 20 0 EDADLP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12COC2 ZINC000449356966 305312545 /nfs/dbraw/zinc/31/25/45/305312545.db2.gz DAPBJHBPGMVUHZ-QGZVFWFLSA-N 2 2 341.411 1.884 20 0 EDADLP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12COC2 ZINC000449356966 305312546 /nfs/dbraw/zinc/31/25/46/305312546.db2.gz DAPBJHBPGMVUHZ-QGZVFWFLSA-N 2 2 341.411 1.884 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000449885116 305321696 /nfs/dbraw/zinc/32/16/96/305321696.db2.gz RGKFIQWHWKDXSO-HNNXBMFYSA-N 2 2 343.431 1.450 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000449885116 305321697 /nfs/dbraw/zinc/32/16/97/305321697.db2.gz RGKFIQWHWKDXSO-HNNXBMFYSA-N 2 2 343.431 1.450 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000450595273 305330423 /nfs/dbraw/zinc/33/04/23/305330423.db2.gz LZKFCHGKLQWRME-CQSZACIVSA-N 2 2 337.493 1.289 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000450595273 305330424 /nfs/dbraw/zinc/33/04/24/305330424.db2.gz LZKFCHGKLQWRME-CQSZACIVSA-N 2 2 337.493 1.289 20 0 EDADLP CO[C@H]([C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000458608830 305503066 /nfs/dbraw/zinc/50/30/66/305503066.db2.gz YYVRUSBQVGNBSP-CZUORRHYSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068417 306019361 /nfs/dbraw/zinc/01/93/61/306019361.db2.gz DVVUOPUWVHGYIL-CHWSQXEVSA-N 2 2 342.399 1.965 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068417 306019362 /nfs/dbraw/zinc/01/93/62/306019362.db2.gz DVVUOPUWVHGYIL-CHWSQXEVSA-N 2 2 342.399 1.965 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3CC[N@H+](C)C[C@H]31)n2C ZINC000538712531 306032925 /nfs/dbraw/zinc/03/29/25/306032925.db2.gz SINCRXNTPVNMST-IUODEOHRSA-N 2 2 342.447 1.201 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3CC[N@@H+](C)C[C@H]31)n2C ZINC000538712531 306032926 /nfs/dbraw/zinc/03/29/26/306032926.db2.gz SINCRXNTPVNMST-IUODEOHRSA-N 2 2 342.447 1.201 20 0 EDADLP CCOc1nccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000540970462 306042757 /nfs/dbraw/zinc/04/27/57/306042757.db2.gz JTDDYFKFPHNDRX-XYPWUTKMSA-N 2 2 331.464 1.623 20 0 EDADLP CCOc1nccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000540970462 306042758 /nfs/dbraw/zinc/04/27/58/306042758.db2.gz JTDDYFKFPHNDRX-XYPWUTKMSA-N 2 2 331.464 1.623 20 0 EDADLP CCn1cc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000548406880 306127185 /nfs/dbraw/zinc/12/71/85/306127185.db2.gz GDYDYFJEDXDDLK-JWTNVVGKSA-N 2 2 345.491 1.215 20 0 EDADLP CCn1cc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000548406880 306127186 /nfs/dbraw/zinc/12/71/86/306127186.db2.gz GDYDYFJEDXDDLK-JWTNVVGKSA-N 2 2 345.491 1.215 20 0 EDADLP CCn1nnc(C)c1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000449188068 447367868 /nfs/dbraw/zinc/36/78/68/447367868.db2.gz RNFKXBXSHKBAEI-UHFFFAOYSA-N 2 2 335.496 1.979 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCC23CCOCC3)C1=O ZINC000548856851 306139988 /nfs/dbraw/zinc/13/99/88/306139988.db2.gz YWRFVEXMOPTTEY-GJZGRUSLSA-N 2 2 332.448 1.460 20 0 EDADLP CC(=O)N1CCC([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000548947049 306142626 /nfs/dbraw/zinc/14/26/26/306142626.db2.gz VVGUGJLPTRGWFP-QGZVFWFLSA-N 2 2 344.459 1.615 20 0 EDADLP CCNc1nc(N2CC[C@H](C[NH+]3CCCC3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000549143104 306144851 /nfs/dbraw/zinc/14/48/51/306144851.db2.gz CKSXNWCGMLAXTO-CQSZACIVSA-N 2 2 347.511 1.858 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000549143104 306144852 /nfs/dbraw/zinc/14/48/52/306144852.db2.gz CKSXNWCGMLAXTO-CQSZACIVSA-N 2 2 347.511 1.858 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000549143104 306144853 /nfs/dbraw/zinc/14/48/53/306144853.db2.gz CKSXNWCGMLAXTO-CQSZACIVSA-N 2 2 347.511 1.858 20 0 EDADLP Cn1ccnc1[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000552188027 306177388 /nfs/dbraw/zinc/17/73/88/306177388.db2.gz UFDIHDFNTASACK-INIZCTEOSA-N 2 2 341.463 1.203 20 0 EDADLP CCNC(=O)C[NH+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000556270371 306209515 /nfs/dbraw/zinc/20/95/15/306209515.db2.gz FATQYMYOBNVSFO-UHFFFAOYSA-N 2 2 343.475 1.711 20 0 EDADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000556818908 306218579 /nfs/dbraw/zinc/21/85/79/306218579.db2.gz FQBOSKSEEWSIPO-FUUSMOTLSA-N 2 2 334.460 1.359 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000557127129 306224486 /nfs/dbraw/zinc/22/44/86/306224486.db2.gz VHCGAAQRLHDUGK-ZDUSSCGKSA-N 2 2 326.828 1.133 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000557127129 306224487 /nfs/dbraw/zinc/22/44/87/306224487.db2.gz VHCGAAQRLHDUGK-ZDUSSCGKSA-N 2 2 326.828 1.133 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCCOCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000557139439 306224902 /nfs/dbraw/zinc/22/49/02/306224902.db2.gz IKCRYRCCNCKESH-KRWDZBQOSA-N 2 2 334.464 1.268 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCCOCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000557139439 306224903 /nfs/dbraw/zinc/22/49/03/306224903.db2.gz IKCRYRCCNCKESH-KRWDZBQOSA-N 2 2 334.464 1.268 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000557193114 306225999 /nfs/dbraw/zinc/22/59/99/306225999.db2.gz CUZNKORSYGTQKO-HOTGVXAUSA-N 2 2 325.416 1.623 20 0 EDADLP O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)Nc1ccn2cc[nH+]c2c1 ZINC000377816648 447370598 /nfs/dbraw/zinc/37/05/98/447370598.db2.gz JQICYEFBGZOTNK-GOEBONIOSA-N 2 2 343.431 1.957 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000377817892 447372755 /nfs/dbraw/zinc/37/27/55/447372755.db2.gz WOXINSTVEDEGRD-SJLPKXTDSA-N 2 2 347.507 1.315 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)CCOC)CC2)CC1 ZINC000422159915 447380060 /nfs/dbraw/zinc/38/00/60/447380060.db2.gz RTHCSKMRDFCNRD-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)CCOC)CC2)CC1 ZINC000422159915 447380068 /nfs/dbraw/zinc/38/00/68/447380068.db2.gz RTHCSKMRDFCNRD-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC(C)(C)OC)CC2)CC1 ZINC000422190510 447396307 /nfs/dbraw/zinc/39/63/07/447396307.db2.gz UGBQBOYONCHXBC-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC(C)(C)OC)CC2)CC1 ZINC000422190510 447396309 /nfs/dbraw/zinc/39/63/09/447396309.db2.gz UGBQBOYONCHXBC-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000494162855 447428505 /nfs/dbraw/zinc/42/85/05/447428505.db2.gz XJSUQIPBLKGNFY-JLSDUUJJSA-N 2 2 331.460 1.316 20 0 EDADLP CC[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000494162855 447428510 /nfs/dbraw/zinc/42/85/10/447428510.db2.gz XJSUQIPBLKGNFY-JLSDUUJJSA-N 2 2 331.460 1.316 20 0 EDADLP COc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000378499121 447435842 /nfs/dbraw/zinc/43/58/42/447435842.db2.gz TXJWSJKICWESDQ-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000378499121 447435848 /nfs/dbraw/zinc/43/58/48/447435848.db2.gz TXJWSJKICWESDQ-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000378499121 447435852 /nfs/dbraw/zinc/43/58/52/447435852.db2.gz TXJWSJKICWESDQ-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000378499121 447435856 /nfs/dbraw/zinc/43/58/56/447435856.db2.gz TXJWSJKICWESDQ-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000057169602 441094936 /nfs/dbraw/zinc/09/49/36/441094936.db2.gz QVPMCCJXPNUOID-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000057169602 441094938 /nfs/dbraw/zinc/09/49/38/441094938.db2.gz QVPMCCJXPNUOID-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000105070573 441230280 /nfs/dbraw/zinc/23/02/80/441230280.db2.gz SVKFXAUOBUMBMG-KBPBESRZSA-N 2 2 340.512 1.704 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC1CCCC1 ZINC000105163355 441240153 /nfs/dbraw/zinc/24/01/53/441240153.db2.gz VWYUTBNJASNEGC-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC1CCCC1 ZINC000105163355 441240156 /nfs/dbraw/zinc/24/01/56/441240156.db2.gz VWYUTBNJASNEGC-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)N1CCCCC1 ZINC000080960380 441212602 /nfs/dbraw/zinc/21/26/02/441212602.db2.gz UOZHYSPLGPYLMW-CABCVRRESA-N 2 2 347.463 1.106 20 0 EDADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)N1CCCCC1 ZINC000080960380 441212606 /nfs/dbraw/zinc/21/26/06/441212606.db2.gz UOZHYSPLGPYLMW-CABCVRRESA-N 2 2 347.463 1.106 20 0 EDADLP C[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000105198191 441242164 /nfs/dbraw/zinc/24/21/64/441242164.db2.gz FOCKXIRRKTWQCY-BRWVUGGUSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105297713 441249161 /nfs/dbraw/zinc/24/91/61/441249161.db2.gz USBFUWMMJAIYNF-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000072965584 441279101 /nfs/dbraw/zinc/27/91/01/441279101.db2.gz JFNFNVUGYCRAPC-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000072965584 441279104 /nfs/dbraw/zinc/27/91/04/441279104.db2.gz JFNFNVUGYCRAPC-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000072965584 441279107 /nfs/dbraw/zinc/27/91/07/441279107.db2.gz JFNFNVUGYCRAPC-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000072965584 441279113 /nfs/dbraw/zinc/27/91/13/441279113.db2.gz JFNFNVUGYCRAPC-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)COc1cccc(Br)c1 ZINC000049077230 441344594 /nfs/dbraw/zinc/34/45/94/441344594.db2.gz IJEJEUPMIGRPOY-ZDUSSCGKSA-N 2 2 340.221 1.675 20 0 EDADLP Cc1cc(NC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n(C)n1 ZINC000105876124 441303799 /nfs/dbraw/zinc/30/37/99/441303799.db2.gz JKVLGCWPYDJXGU-UHFFFAOYSA-N 2 2 330.436 1.355 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000105875528 441303809 /nfs/dbraw/zinc/30/38/09/441303809.db2.gz CXQVDTFNNJEZOE-MRXNPFEDSA-N 3 2 347.507 1.227 20 0 EDADLP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000105875528 441303814 /nfs/dbraw/zinc/30/38/14/441303814.db2.gz CXQVDTFNNJEZOE-MRXNPFEDSA-N 2 2 347.507 1.227 20 0 EDADLP COCC[N@H+](C)CC[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000073386685 441314326 /nfs/dbraw/zinc/31/43/26/441314326.db2.gz AIDQFQPSIDDZGI-KRWDZBQOSA-N 2 2 330.432 1.709 20 0 EDADLP COCC[N@@H+](C)CC[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000073386685 441314328 /nfs/dbraw/zinc/31/43/28/441314328.db2.gz AIDQFQPSIDDZGI-KRWDZBQOSA-N 2 2 330.432 1.709 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)[NH+]1CCOCC1 ZINC000073430772 441317299 /nfs/dbraw/zinc/31/72/99/441317299.db2.gz FGVXJBNKEYLKBZ-JZXOWHBKSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)[NH+]1CCOCC1 ZINC000073430772 441317302 /nfs/dbraw/zinc/31/73/02/441317302.db2.gz FGVXJBNKEYLKBZ-JZXOWHBKSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[N@H+](C)C3)c[nH+]2)CCO1 ZINC000052523587 441456263 /nfs/dbraw/zinc/45/62/63/441456263.db2.gz DKVOJJQFRHXGNM-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[N@@H+](C)C3)c[nH+]2)CCO1 ZINC000052523587 441456264 /nfs/dbraw/zinc/45/62/64/441456264.db2.gz DKVOJJQFRHXGNM-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000108589174 441466612 /nfs/dbraw/zinc/46/66/12/441466612.db2.gz JORGPILMWQXNEI-OAHLLOKOSA-N 2 2 336.505 1.917 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000108589174 441466613 /nfs/dbraw/zinc/46/66/13/441466613.db2.gz JORGPILMWQXNEI-OAHLLOKOSA-N 2 2 336.505 1.917 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3nc(C)no3)CC2)CC1 ZINC000066568110 441544926 /nfs/dbraw/zinc/54/49/26/441544926.db2.gz IWWZMVANRVXXCQ-CQSZACIVSA-N 2 2 349.479 1.705 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109706376 441502836 /nfs/dbraw/zinc/50/28/36/441502836.db2.gz QKYNMMIOTYJBHX-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109706376 441502839 /nfs/dbraw/zinc/50/28/39/441502839.db2.gz QKYNMMIOTYJBHX-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP C[NH+]1CCN(CC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000109939389 441511371 /nfs/dbraw/zinc/51/13/71/441511371.db2.gz DBMPVWOMIMNXTH-UHFFFAOYSA-N 2 2 337.493 1.315 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000089592319 441562230 /nfs/dbraw/zinc/56/22/30/441562230.db2.gz ZTQKPBIERRWWFS-GOSISDBHSA-N 2 2 333.476 1.591 20 0 EDADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000089592165 441562324 /nfs/dbraw/zinc/56/23/24/441562324.db2.gz BNGZCDHNCMUYQN-SFHVURJKSA-N 2 2 331.460 1.345 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCCn1cc[nH+]c1 ZINC000054539740 441583776 /nfs/dbraw/zinc/58/37/76/441583776.db2.gz OEZLROCJNDALBB-UHFFFAOYSA-N 2 2 339.403 1.662 20 0 EDADLP O=C(CC[N@@H+]1CCOC[C@@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000090007964 441613233 /nfs/dbraw/zinc/61/32/33/441613233.db2.gz ACNPKNFRUWRNIW-QGZVFWFLSA-N 2 2 344.459 1.231 20 0 EDADLP O=C(CC[N@H+]1CCOC[C@@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000090007964 441613235 /nfs/dbraw/zinc/61/32/35/441613235.db2.gz ACNPKNFRUWRNIW-QGZVFWFLSA-N 2 2 344.459 1.231 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000137171847 441751722 /nfs/dbraw/zinc/75/17/22/441751722.db2.gz WGAJOLFIBJCBEG-BQYQJAHWSA-N 2 2 341.415 1.715 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000137340336 441764929 /nfs/dbraw/zinc/76/49/29/441764929.db2.gz ATUYRYTUIQDBGS-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077490112 441791603 /nfs/dbraw/zinc/79/16/03/441791603.db2.gz GTNFDMQNNMYFGO-MRXNPFEDSA-N 2 2 341.463 1.269 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077490112 441791607 /nfs/dbraw/zinc/79/16/07/441791607.db2.gz GTNFDMQNNMYFGO-MRXNPFEDSA-N 2 2 341.463 1.269 20 0 EDADLP COc1ccnc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000116184463 441799691 /nfs/dbraw/zinc/79/96/91/441799691.db2.gz UHZXTUFQSQVEGR-UHFFFAOYSA-N 2 2 332.448 1.379 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000173645201 441812828 /nfs/dbraw/zinc/81/28/28/441812828.db2.gz ILOUAXRUXMSDQC-CQSZACIVSA-N 2 2 335.448 1.723 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(F)n3)CC2)CC1 ZINC000122734706 441861282 /nfs/dbraw/zinc/86/12/82/441861282.db2.gz PDRIBUKWMCRXFY-UHFFFAOYSA-N 2 2 335.427 1.901 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000139611751 441822631 /nfs/dbraw/zinc/82/26/31/441822631.db2.gz WRVVFDPAHJTLPI-KRWDZBQOSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000139611751 441822636 /nfs/dbraw/zinc/82/26/36/441822636.db2.gz WRVVFDPAHJTLPI-KRWDZBQOSA-N 2 2 327.432 1.825 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCOCC1 ZINC000116546891 441828786 /nfs/dbraw/zinc/82/87/86/441828786.db2.gz GGJSAXBVEVHAPA-XHSDSOJGSA-N 2 2 342.528 1.761 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)[nH+]1 ZINC000092917849 441839842 /nfs/dbraw/zinc/83/98/42/441839842.db2.gz JHNGYDIFLCMEED-CQSZACIVSA-N 2 2 327.436 1.921 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[nH+]1 ZINC000092917849 441839845 /nfs/dbraw/zinc/83/98/45/441839845.db2.gz JHNGYDIFLCMEED-CQSZACIVSA-N 2 2 327.436 1.921 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3)C2)CC1 ZINC000118835091 441905081 /nfs/dbraw/zinc/90/50/81/441905081.db2.gz MCLUWYWJIJFKBF-GOSISDBHSA-N 2 2 330.476 1.645 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3)C2)CC1 ZINC000118835091 441905084 /nfs/dbraw/zinc/90/50/84/441905084.db2.gz MCLUWYWJIJFKBF-GOSISDBHSA-N 2 2 330.476 1.645 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123203172 441880115 /nfs/dbraw/zinc/88/01/15/441880115.db2.gz PZDBMDNQLAZCQF-YOEHRIQHSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[N@H+]1C ZINC000123203172 441880118 /nfs/dbraw/zinc/88/01/18/441880118.db2.gz PZDBMDNQLAZCQF-YOEHRIQHSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123203172 441880122 /nfs/dbraw/zinc/88/01/22/441880122.db2.gz PZDBMDNQLAZCQF-YOEHRIQHSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123203172 441880126 /nfs/dbraw/zinc/88/01/26/441880126.db2.gz PZDBMDNQLAZCQF-YOEHRIQHSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)[C@@H]1C ZINC000378565371 447442912 /nfs/dbraw/zinc/44/29/12/447442912.db2.gz JKYLGSSFTMMFOX-BDXSIMOUSA-N 2 2 337.508 1.724 20 0 EDADLP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000118108569 441889574 /nfs/dbraw/zinc/88/95/74/441889574.db2.gz URYZPWWZTBMTQE-UHFFFAOYSA-N 2 2 342.399 1.880 20 0 EDADLP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000118108569 441889582 /nfs/dbraw/zinc/88/95/82/441889582.db2.gz URYZPWWZTBMTQE-UHFFFAOYSA-N 2 2 342.399 1.880 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn21 ZINC000069479529 441946980 /nfs/dbraw/zinc/94/69/80/441946980.db2.gz YOEBIHCFDBZHGG-HNNXBMFYSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn21 ZINC000069479529 441946983 /nfs/dbraw/zinc/94/69/83/441946983.db2.gz YOEBIHCFDBZHGG-HNNXBMFYSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn21 ZINC000069479526 441947531 /nfs/dbraw/zinc/94/75/31/441947531.db2.gz YOEBIHCFDBZHGG-OAHLLOKOSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn21 ZINC000069479526 441947540 /nfs/dbraw/zinc/94/75/40/441947540.db2.gz YOEBIHCFDBZHGG-OAHLLOKOSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)on1 ZINC000174880982 441978898 /nfs/dbraw/zinc/97/88/98/441978898.db2.gz FYBSQAMWKXNGES-HNNXBMFYSA-N 2 2 335.452 1.023 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)on1 ZINC000174880982 441978902 /nfs/dbraw/zinc/97/89/02/441978902.db2.gz FYBSQAMWKXNGES-HNNXBMFYSA-N 2 2 335.452 1.023 20 0 EDADLP COc1cccc(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175589709 442090313 /nfs/dbraw/zinc/09/03/13/442090313.db2.gz MOMBMIFUMCZALG-UHFFFAOYSA-N 2 2 348.491 1.563 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(=O)NCc1ccco1 ZINC000162020113 442056979 /nfs/dbraw/zinc/05/69/79/442056979.db2.gz HRMILDFKHNQVCM-OAHLLOKOSA-N 2 2 342.443 1.934 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175735912 442113528 /nfs/dbraw/zinc/11/35/28/442113528.db2.gz PQFQQGPBVOJHTF-BFYDXBDKSA-N 2 2 349.479 1.190 20 0 EDADLP COCCCNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784547 442121390 /nfs/dbraw/zinc/12/13/90/442121390.db2.gz HHGIKOZZOWQFQM-UHFFFAOYSA-N 2 2 348.491 1.173 20 0 EDADLP COCCCNC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784547 442121393 /nfs/dbraw/zinc/12/13/93/442121393.db2.gz HHGIKOZZOWQFQM-UHFFFAOYSA-N 2 2 348.491 1.173 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[NH2+]CC2CC2)[NH+]2CCOCC2)c1 ZINC000164896157 442204560 /nfs/dbraw/zinc/20/45/60/442204560.db2.gz HENNMBYCEOYFRK-SFHVURJKSA-N 2 2 331.460 1.484 20 0 EDADLP COC1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[NH2+]CC1 ZINC000164318580 442194804 /nfs/dbraw/zinc/19/48/04/442194804.db2.gz AFPNCVPCQIUCNW-UHFFFAOYSA-N 2 2 332.448 1.457 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000152038660 442156780 /nfs/dbraw/zinc/15/67/80/442156780.db2.gz QWFTUCKYLFQDEP-UHFFFAOYSA-N 2 2 339.430 1.993 20 0 EDADLP CCNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000120986724 442161556 /nfs/dbraw/zinc/16/15/56/442161556.db2.gz PDSXXXAKFJPTHO-UHFFFAOYSA-N 2 2 342.443 1.810 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CC[NH2+]C(C)C)[NH+]2CCOCC2)cc1 ZINC000165672702 442210629 /nfs/dbraw/zinc/21/06/29/442210629.db2.gz JXESUHYYGXQGNY-SFHVURJKSA-N 2 2 333.476 1.873 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167396842 442221077 /nfs/dbraw/zinc/22/10/77/442221077.db2.gz ZIRRKRNZIWOPLH-CRAIPNDOSA-N 2 2 347.459 1.266 20 0 EDADLP [NH3+][C@@H]1[C@H](C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)[C@@H]2CC[C@H]1C2 ZINC000167963249 442223276 /nfs/dbraw/zinc/22/32/76/442223276.db2.gz DUYCMSGTKZSGFA-ZRSRNVLSSA-N 2 2 343.471 1.238 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](CO)OC[C@@H]3C)c2cc1C ZINC000153329832 442275441 /nfs/dbraw/zinc/27/54/41/442275441.db2.gz ZJFFQVHTSDJFNR-ARFHVFGLSA-N 2 2 333.432 1.096 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](CO)OC[C@@H]3C)c2cc1C ZINC000153329832 442275443 /nfs/dbraw/zinc/27/54/43/442275443.db2.gz ZJFFQVHTSDJFNR-ARFHVFGLSA-N 2 2 333.432 1.096 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@]1(C)CCCS1 ZINC000153437499 442282845 /nfs/dbraw/zinc/28/28/45/442282845.db2.gz CMOXBYXBJNJHNF-QGZVFWFLSA-N 2 2 342.553 1.940 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@]1(C)CCCS1 ZINC000153437499 442282846 /nfs/dbraw/zinc/28/28/46/442282846.db2.gz CMOXBYXBJNJHNF-QGZVFWFLSA-N 2 2 342.553 1.940 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000171015749 442299767 /nfs/dbraw/zinc/29/97/67/442299767.db2.gz AGDUJYFHVFCBBI-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000171015749 442299769 /nfs/dbraw/zinc/29/97/69/442299769.db2.gz AGDUJYFHVFCBBI-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(N3CCCC3)nc2)CC1 ZINC000177134469 442302773 /nfs/dbraw/zinc/30/27/73/442302773.db2.gz IWFLKDTXECPZQJ-UHFFFAOYSA-N 2 2 345.491 1.438 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000171201546 442326945 /nfs/dbraw/zinc/32/69/45/442326945.db2.gz OVZMXGDAGJGTGJ-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000171201546 442326946 /nfs/dbraw/zinc/32/69/46/442326946.db2.gz OVZMXGDAGJGTGJ-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171288133 442339028 /nfs/dbraw/zinc/33/90/28/442339028.db2.gz MJQPGMUMHFRXRV-UHFFFAOYSA-N 2 2 339.509 1.702 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171288133 442339030 /nfs/dbraw/zinc/33/90/30/442339030.db2.gz MJQPGMUMHFRXRV-UHFFFAOYSA-N 2 2 339.509 1.702 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177452880 442342925 /nfs/dbraw/zinc/34/29/25/442342925.db2.gz OHVJPYBIIXJDJN-MRXNPFEDSA-N 2 2 335.452 1.168 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000154511614 442343904 /nfs/dbraw/zinc/34/39/04/442343904.db2.gz OCPLOECTPJLRMP-GXTWGEPZSA-N 2 2 332.448 1.874 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000154511614 442343906 /nfs/dbraw/zinc/34/39/06/442343906.db2.gz OCPLOECTPJLRMP-GXTWGEPZSA-N 2 2 332.448 1.874 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[NH+]1CCSCC1 ZINC000153897066 442309581 /nfs/dbraw/zinc/30/95/81/442309581.db2.gz QNRFORVZGSDBAV-CABCVRRESA-N 2 2 336.505 1.639 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177787707 442384550 /nfs/dbraw/zinc/38/45/50/442384550.db2.gz KOQQKUIQXPUIPB-UHFFFAOYSA-N 2 2 331.420 1.198 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171906270 442389830 /nfs/dbraw/zinc/38/98/30/442389830.db2.gz ZITLTYCMJHTWQT-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171906270 442389832 /nfs/dbraw/zinc/38/98/32/442389832.db2.gz ZITLTYCMJHTWQT-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171906270 442389834 /nfs/dbraw/zinc/38/98/34/442389834.db2.gz ZITLTYCMJHTWQT-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177958672 442398008 /nfs/dbraw/zinc/39/80/08/442398008.db2.gz WPGPUBWVORTZLV-OAHLLOKOSA-N 2 2 331.420 1.244 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177958672 442398010 /nfs/dbraw/zinc/39/80/10/442398010.db2.gz WPGPUBWVORTZLV-OAHLLOKOSA-N 2 2 331.420 1.244 20 0 EDADLP C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000132938370 442402855 /nfs/dbraw/zinc/40/28/55/442402855.db2.gz UGRFAXQPFMSYGK-CABCVRRESA-N 2 2 327.469 1.554 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000171563866 442357755 /nfs/dbraw/zinc/35/77/55/442357755.db2.gz JEDIEMVGCAWJAA-UHFFFAOYSA-N 2 2 347.463 1.275 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(C(N)=O)c1 ZINC000171563866 442357759 /nfs/dbraw/zinc/35/77/59/442357759.db2.gz JEDIEMVGCAWJAA-UHFFFAOYSA-N 2 2 347.463 1.275 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178112824 442408527 /nfs/dbraw/zinc/40/85/27/442408527.db2.gz NQBMUASNSZJDQA-PBHICJAKSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178112824 442408531 /nfs/dbraw/zinc/40/85/31/442408531.db2.gz NQBMUASNSZJDQA-PBHICJAKSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178112824 442408534 /nfs/dbraw/zinc/40/85/34/442408534.db2.gz NQBMUASNSZJDQA-PBHICJAKSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178112824 442408537 /nfs/dbraw/zinc/40/85/37/442408537.db2.gz NQBMUASNSZJDQA-PBHICJAKSA-N 2 2 345.443 1.828 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@]1(C)CCCO1 ZINC000133456174 442419355 /nfs/dbraw/zinc/41/93/55/442419355.db2.gz ODBUNBAAALIUTN-QGZVFWFLSA-N 2 2 326.485 1.223 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@]1(C)CCCO1 ZINC000133456174 442419357 /nfs/dbraw/zinc/41/93/57/442419357.db2.gz ODBUNBAAALIUTN-QGZVFWFLSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)[NH+]1CCSCC1 ZINC000133609554 442426084 /nfs/dbraw/zinc/42/60/84/442426084.db2.gz TYYSYTFFMMJDEE-AWEZNQCLSA-N 2 2 325.478 1.607 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000133579823 442425032 /nfs/dbraw/zinc/42/50/32/442425032.db2.gz KGGWDQNYWXGSIS-ZDUSSCGKSA-N 2 2 334.420 1.723 20 0 EDADLP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000155791713 442427744 /nfs/dbraw/zinc/42/77/44/442427744.db2.gz LYJQTMDVIHRPFQ-HZPDHXFCSA-N 2 2 341.521 1.137 20 0 EDADLP C[N@@H+](CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000155791713 442427747 /nfs/dbraw/zinc/42/77/47/442427747.db2.gz LYJQTMDVIHRPFQ-HZPDHXFCSA-N 2 2 341.521 1.137 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](OCCO)C3)c2cc1C ZINC000172291788 442436043 /nfs/dbraw/zinc/43/60/43/442436043.db2.gz ILHSEXJWWZNEPZ-IRXDYDNUSA-N 2 2 347.459 1.487 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](OCCO)C3)c2cc1C ZINC000172291788 442436045 /nfs/dbraw/zinc/43/60/45/442436045.db2.gz ILHSEXJWWZNEPZ-IRXDYDNUSA-N 2 2 347.459 1.487 20 0 EDADLP COC1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC000178674275 442454763 /nfs/dbraw/zinc/45/47/63/442454763.db2.gz WASHBTHQMGAKPK-UHFFFAOYSA-N 2 2 328.416 1.316 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000178873917 442510145 /nfs/dbraw/zinc/51/01/45/442510145.db2.gz YGGVNJRPJKNJRQ-SFHVURJKSA-N 2 2 332.492 1.424 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000178853668 442503443 /nfs/dbraw/zinc/50/34/43/442503443.db2.gz OXKWUKMTXUKAKF-OAHLLOKOSA-N 2 2 332.473 1.822 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134910569 442535320 /nfs/dbraw/zinc/53/53/20/442535320.db2.gz DSBBRMNAEDDEQR-ZBFHGGJFSA-N 2 2 336.480 1.417 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134910569 442535324 /nfs/dbraw/zinc/53/53/24/442535324.db2.gz DSBBRMNAEDDEQR-ZBFHGGJFSA-N 2 2 336.480 1.417 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134910569 442535327 /nfs/dbraw/zinc/53/53/27/442535327.db2.gz DSBBRMNAEDDEQR-ZBFHGGJFSA-N 2 2 336.480 1.417 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134910569 442535330 /nfs/dbraw/zinc/53/53/30/442535330.db2.gz DSBBRMNAEDDEQR-ZBFHGGJFSA-N 2 2 336.480 1.417 20 0 EDADLP O=C1C[C@@H]([NH2+]C/C=C/c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000172697228 442522477 /nfs/dbraw/zinc/52/24/77/442522477.db2.gz UUXQDAAIOKOTGU-WEBJUUICSA-N 2 2 329.444 1.223 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000157293572 442569644 /nfs/dbraw/zinc/56/96/44/442569644.db2.gz FYXOFGAGRQCGCB-HNNXBMFYSA-N 2 2 346.479 1.066 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000157345453 442574615 /nfs/dbraw/zinc/57/46/15/442574615.db2.gz NFZGFABFGSJLJU-OAHLLOKOSA-N 2 2 333.480 1.925 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000157345453 442574620 /nfs/dbraw/zinc/57/46/20/442574620.db2.gz NFZGFABFGSJLJU-OAHLLOKOSA-N 2 2 333.480 1.925 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180300735 442576047 /nfs/dbraw/zinc/57/60/47/442576047.db2.gz QKFAAVCPPLSMQQ-JKSUJKDBSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180300735 442576052 /nfs/dbraw/zinc/57/60/52/442576052.db2.gz QKFAAVCPPLSMQQ-JKSUJKDBSA-N 2 2 338.496 1.271 20 0 EDADLP CSC[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000135479699 442601438 /nfs/dbraw/zinc/60/14/38/442601438.db2.gz WLFJWSVZBULZIH-AWEZNQCLSA-N 2 2 329.510 1.041 20 0 EDADLP CSC[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000135479699 442601445 /nfs/dbraw/zinc/60/14/45/442601445.db2.gz WLFJWSVZBULZIH-AWEZNQCLSA-N 2 2 329.510 1.041 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(Cc2ccccn2)C2CC2)CC1 ZINC000179300633 442616768 /nfs/dbraw/zinc/61/67/68/442616768.db2.gz XDHXIJRYOIEADC-UHFFFAOYSA-N 2 2 345.491 1.782 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3ccccc3C2)CC1 ZINC000179317451 442620430 /nfs/dbraw/zinc/62/04/30/442620430.db2.gz IZGNSBJUDVQSHL-UHFFFAOYSA-N 2 2 330.476 1.780 20 0 EDADLP c1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000192331327 442634396 /nfs/dbraw/zinc/63/43/96/442634396.db2.gz JWCOMHNMLFEGDE-OAHLLOKOSA-N 2 2 349.504 1.188 20 0 EDADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)c1 ZINC000181021677 442675234 /nfs/dbraw/zinc/67/52/34/442675234.db2.gz LFVABZSRKOFEKA-QZTJIDSGSA-N 2 2 345.487 1.887 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000181034797 442676664 /nfs/dbraw/zinc/67/66/64/442676664.db2.gz WSXDSVVPKMYLNH-PBHICJAKSA-N 2 2 335.423 1.409 20 0 EDADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181038660 442676964 /nfs/dbraw/zinc/67/69/64/442676964.db2.gz NPSZEXLKUPOYAS-APWZRJJASA-N 2 2 345.487 1.833 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000181045528 442677193 /nfs/dbraw/zinc/67/71/93/442677193.db2.gz NPOYOINATDGEHI-WMLDXEAASA-N 2 2 335.423 1.409 20 0 EDADLP Cc1cc(=O)[nH]c([C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000192708171 442679024 /nfs/dbraw/zinc/67/90/24/442679024.db2.gz YDUHMOJTMAGBDM-PMRDEQMMSA-N 2 2 345.491 1.794 20 0 EDADLP Cc1cc(=O)[nH]c([C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000192708171 442679026 /nfs/dbraw/zinc/67/90/26/442679026.db2.gz YDUHMOJTMAGBDM-PMRDEQMMSA-N 2 2 345.491 1.794 20 0 EDADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000187252566 442664150 /nfs/dbraw/zinc/66/41/50/442664150.db2.gz GBKIWGBNOKIPIL-KURKYZTESA-N 2 2 335.492 1.502 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000193120288 442715280 /nfs/dbraw/zinc/71/52/80/442715280.db2.gz DWMZQQFHHLWMIZ-HZPDHXFCSA-N 2 2 332.448 1.277 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC(=O)NC1CCCCC1 ZINC000265476851 442787112 /nfs/dbraw/zinc/78/71/12/442787112.db2.gz JQFXYUKSNDJMGM-UHFFFAOYSA-N 2 2 333.436 1.748 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265478002 442787755 /nfs/dbraw/zinc/78/77/55/442787755.db2.gz KDFOSSIVJVHYGB-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265478002 442787760 /nfs/dbraw/zinc/78/77/60/442787760.db2.gz KDFOSSIVJVHYGB-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265478002 442787764 /nfs/dbraw/zinc/78/77/64/442787764.db2.gz KDFOSSIVJVHYGB-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265478002 442787768 /nfs/dbraw/zinc/78/77/68/442787768.db2.gz KDFOSSIVJVHYGB-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP C[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000193842050 442797395 /nfs/dbraw/zinc/79/73/95/442797395.db2.gz VHAWOBIAUXYMMZ-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP C[N@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000188731472 442799279 /nfs/dbraw/zinc/79/92/79/442799279.db2.gz NBNJEXYBKZBPFJ-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP C[N@@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)Cc1ccccc1 ZINC000188731472 442799283 /nfs/dbraw/zinc/79/92/83/442799283.db2.gz NBNJEXYBKZBPFJ-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP C[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000188731472 442799285 /nfs/dbraw/zinc/79/92/85/442799285.db2.gz NBNJEXYBKZBPFJ-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP C[NH+](CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000188731472 442799287 /nfs/dbraw/zinc/79/92/87/442799287.db2.gz NBNJEXYBKZBPFJ-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000246340235 442773946 /nfs/dbraw/zinc/77/39/46/442773946.db2.gz OIVVZVRDDSMBQS-FPCVCCKLSA-N 2 2 326.485 1.077 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)[nH+]1 ZINC000268026269 442822045 /nfs/dbraw/zinc/82/20/45/442822045.db2.gz CMLBJWPRMWGCLY-OAHLLOKOSA-N 2 2 330.432 1.724 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268099939 442847416 /nfs/dbraw/zinc/84/74/16/442847416.db2.gz KOOMUACGRBUVLZ-UHFFFAOYSA-N 2 2 325.478 1.604 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247504876 442859191 /nfs/dbraw/zinc/85/91/91/442859191.db2.gz MAQQJAQUOSMMAD-HZPDHXFCSA-N 2 2 341.496 1.497 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247504876 442859193 /nfs/dbraw/zinc/85/91/93/442859193.db2.gz MAQQJAQUOSMMAD-HZPDHXFCSA-N 2 2 341.496 1.497 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247504876 442859195 /nfs/dbraw/zinc/85/91/95/442859195.db2.gz MAQQJAQUOSMMAD-HZPDHXFCSA-N 2 2 341.496 1.497 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247504876 442859198 /nfs/dbraw/zinc/85/91/98/442859198.db2.gz MAQQJAQUOSMMAD-HZPDHXFCSA-N 2 2 341.496 1.497 20 0 EDADLP Cc1cn2cc(NC(=O)NC[C@@H](C)C[NH+]3CCOCC3)ccc2[nH+]1 ZINC000265685692 442879950 /nfs/dbraw/zinc/87/99/50/442879950.db2.gz CYPUPALUHPBORJ-CYBMUJFWSA-N 2 2 331.420 1.733 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248410217 442889990 /nfs/dbraw/zinc/88/99/90/442889990.db2.gz XRRNFSSIDYTFFU-ZOBUZTSGSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248410217 442889996 /nfs/dbraw/zinc/88/99/96/442889996.db2.gz XRRNFSSIDYTFFU-ZOBUZTSGSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248410217 442890000 /nfs/dbraw/zinc/89/00/00/442890000.db2.gz XRRNFSSIDYTFFU-ZOBUZTSGSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248410217 442890004 /nfs/dbraw/zinc/89/00/04/442890004.db2.gz XRRNFSSIDYTFFU-ZOBUZTSGSA-N 2 2 338.496 1.269 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@@H](C)C[NH+]3CCOCC3)[nH+]c2c1 ZINC000265761083 442911187 /nfs/dbraw/zinc/91/11/87/442911187.db2.gz QWRCYRFPMOOCSG-OAHLLOKOSA-N 2 2 345.447 1.410 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000182624020 318509176 /nfs/dbraw/zinc/50/91/76/318509176.db2.gz JTDBBJKTHWQNLU-HDICACEKSA-N 2 2 347.507 1.395 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000184094887 442991038 /nfs/dbraw/zinc/99/10/38/442991038.db2.gz PCUYHLRWIOLQBW-UHFFFAOYSA-N 2 2 334.464 1.578 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC[C@H]3C(N)=O)c2cc1C ZINC000249724557 443002096 /nfs/dbraw/zinc/00/20/96/443002096.db2.gz OWBDRDYAUHEEBA-HOCLYGCPSA-N 2 2 330.432 1.354 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC[C@H]3C(N)=O)c2cc1C ZINC000249724557 443002099 /nfs/dbraw/zinc/00/20/99/443002099.db2.gz OWBDRDYAUHEEBA-HOCLYGCPSA-N 2 2 330.432 1.354 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000266454854 443132113 /nfs/dbraw/zinc/13/21/13/443132113.db2.gz KHYDSBGQZZXGMH-INIZCTEOSA-N 2 2 327.432 1.372 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184995409 443115005 /nfs/dbraw/zinc/11/50/05/443115005.db2.gz JORKYCZNHCWWQC-MRXNPFEDSA-N 2 2 346.479 1.491 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184995409 443115007 /nfs/dbraw/zinc/11/50/07/443115007.db2.gz JORKYCZNHCWWQC-MRXNPFEDSA-N 2 2 346.479 1.491 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000261742824 443167376 /nfs/dbraw/zinc/16/73/76/443167376.db2.gz LXPQLHQSUJQLCI-ZNMIVQPWSA-N 2 2 337.489 1.755 20 0 EDADLP CCC[NH+]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266572814 443172416 /nfs/dbraw/zinc/17/24/16/443172416.db2.gz OXFSBOMUXJQHOV-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CCC[NH+]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266572814 443172425 /nfs/dbraw/zinc/17/24/25/443172425.db2.gz OXFSBOMUXJQHOV-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000236952170 443153032 /nfs/dbraw/zinc/15/30/32/443153032.db2.gz NMCSUGCIDQUCDA-WVZRYYJFSA-N 2 2 334.464 1.685 20 0 EDADLP C[C@](O)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CN1CCOCC1 ZINC000304374882 318918129 /nfs/dbraw/zinc/91/81/29/318918129.db2.gz WZHSMTMBWZMIII-SFHVURJKSA-N 2 2 330.432 1.045 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC3(CCCC3)OC(C)(C)C2)CC1 ZINC000190971933 443217264 /nfs/dbraw/zinc/21/72/64/443217264.db2.gz YPGHGXJMYLNGPZ-INIZCTEOSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC3(CCCC3)OC(C)(C)C2)CC1 ZINC000190971933 443217266 /nfs/dbraw/zinc/21/72/66/443217266.db2.gz YPGHGXJMYLNGPZ-INIZCTEOSA-N 2 2 337.508 1.963 20 0 EDADLP Cn1c[nH+]cc1Cc1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000350412471 319049000 /nfs/dbraw/zinc/04/90/00/319049000.db2.gz ZDUQVWVUUCHEEP-UHFFFAOYSA-N 2 2 328.376 1.396 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C[N@@H+]1C1CC1 ZINC000397448953 319134641 /nfs/dbraw/zinc/13/46/41/319134641.db2.gz LBYXKLMUJPFFCR-FMKPAKJESA-N 2 2 339.480 1.837 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C[N@H+]1C1CC1 ZINC000397448953 319134644 /nfs/dbraw/zinc/13/46/44/319134644.db2.gz LBYXKLMUJPFFCR-FMKPAKJESA-N 2 2 339.480 1.837 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411583289 319185330 /nfs/dbraw/zinc/18/53/30/319185330.db2.gz NSQQSFXUCWSNSB-HNNXBMFYSA-N 2 2 332.448 1.888 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411583289 319185331 /nfs/dbraw/zinc/18/53/31/319185331.db2.gz NSQQSFXUCWSNSB-HNNXBMFYSA-N 2 2 332.448 1.888 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000413046091 319260101 /nfs/dbraw/zinc/26/01/01/319260101.db2.gz ZFCBVWAOVJWOLU-HUUCEWRRSA-N 2 2 333.480 1.968 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000413046091 319260102 /nfs/dbraw/zinc/26/01/02/319260102.db2.gz ZFCBVWAOVJWOLU-HUUCEWRRSA-N 2 2 333.480 1.968 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264402263 443278253 /nfs/dbraw/zinc/27/82/53/443278253.db2.gz GFPBGYKLUXFSOG-QGZVFWFLSA-N 2 2 344.503 1.648 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266834779 443261770 /nfs/dbraw/zinc/26/17/70/443261770.db2.gz LTXDOQYVVONEMJ-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266834779 443261772 /nfs/dbraw/zinc/26/17/72/443261772.db2.gz LTXDOQYVVONEMJ-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000416814322 319463340 /nfs/dbraw/zinc/46/33/40/319463340.db2.gz NLFQGUSJOINVKA-LBPRGKRZSA-N 2 2 330.379 1.700 20 0 EDADLP COc1ccc([C@@H](C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000267200474 443376224 /nfs/dbraw/zinc/37/62/24/443376224.db2.gz CZBPNVHUCNFVOT-OAHLLOKOSA-N 2 2 333.476 1.941 20 0 EDADLP COCCOc1ccccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267210248 443379761 /nfs/dbraw/zinc/37/97/61/443379761.db2.gz FSQGGRCJWDFSGQ-UHFFFAOYSA-N 2 2 349.475 1.468 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000420370333 319611943 /nfs/dbraw/zinc/61/19/43/319611943.db2.gz OYIBYQXZQLIMPP-IGCXYCKISA-N 2 2 332.448 1.303 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420382254 319612590 /nfs/dbraw/zinc/61/25/90/319612590.db2.gz ZSLZAUNOGWZCRF-OUJBWJOFSA-N 2 2 325.434 1.449 20 0 EDADLP C[C@H]1C[N@@H+]([C@H](CNC(=O)/C=C/C[NH+](C)C)c2cccs2)CCO1 ZINC000267369106 443433119 /nfs/dbraw/zinc/43/31/19/443433119.db2.gz XLXNQORHEQHOBB-SJPZSHDVSA-N 2 2 337.489 1.744 20 0 EDADLP C[C@H]1C[N@H+]([C@H](CNC(=O)/C=C/C[NH+](C)C)c2cccs2)CCO1 ZINC000267369106 443433121 /nfs/dbraw/zinc/43/31/21/443433121.db2.gz XLXNQORHEQHOBB-SJPZSHDVSA-N 2 2 337.489 1.744 20 0 EDADLP C[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[NH+]1CCSCC1 ZINC000269722579 443411312 /nfs/dbraw/zinc/41/13/12/443411312.db2.gz XWOBFPSJEYFRKG-TZMCWYRMSA-N 2 2 327.519 1.904 20 0 EDADLP COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000267407329 443445906 /nfs/dbraw/zinc/44/59/06/443445906.db2.gz HIYDRWVVJZGKNN-AWEZNQCLSA-N 2 2 348.447 1.581 20 0 EDADLP COC(=O)C1(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000267407329 443445910 /nfs/dbraw/zinc/44/59/10/443445910.db2.gz HIYDRWVVJZGKNN-AWEZNQCLSA-N 2 2 348.447 1.581 20 0 EDADLP Cc1cc(CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc(C)[nH+]1 ZINC000422607104 319720438 /nfs/dbraw/zinc/72/04/38/319720438.db2.gz KJKMJKFNOIJPLE-INIZCTEOSA-N 2 2 347.463 1.228 20 0 EDADLP c1cc2c(cc1CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)OCCO2 ZINC000422925325 319737718 /nfs/dbraw/zinc/73/77/18/319737718.db2.gz BKIHUBZJXUSMDF-RTBURBONSA-N 2 2 332.444 1.747 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000278881195 443471959 /nfs/dbraw/zinc/47/19/59/443471959.db2.gz COVJLFGFFHCNCS-CVEARBPZSA-N 2 2 342.447 1.825 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000272984998 443510678 /nfs/dbraw/zinc/51/06/78/443510678.db2.gz DQSSTESHQKSBFN-CABCVRRESA-N 2 2 334.439 1.062 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C(C)C ZINC000283112882 443527490 /nfs/dbraw/zinc/52/74/90/443527490.db2.gz ABXLGTQKPOSYNK-HNNXBMFYSA-N 2 2 349.479 1.698 20 0 EDADLP COC1(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC[NH2+]CC1 ZINC000423810897 319815119 /nfs/dbraw/zinc/81/51/19/319815119.db2.gz AKWUKIJGVYDZSF-AWEZNQCLSA-N 2 2 337.489 1.722 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)n1C ZINC000425350794 319833368 /nfs/dbraw/zinc/83/33/68/319833368.db2.gz GEMFMHXSIODCNA-UHFFFAOYSA-N 2 2 337.449 1.147 20 0 EDADLP C[C@@H](C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2)n1cccn1 ZINC000275721629 443639507 /nfs/dbraw/zinc/63/95/07/443639507.db2.gz ORTNQLNPZGJERD-GJZGRUSLSA-N 2 2 342.447 1.349 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000433209463 319975442 /nfs/dbraw/zinc/97/54/42/319975442.db2.gz QNYDMHVINGDVRC-ZDUSSCGKSA-N 2 2 333.354 1.452 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)c(OC)co2)[C@@H](C)C1 ZINC000276145568 443653748 /nfs/dbraw/zinc/65/37/48/443653748.db2.gz BDQUGOZGXMSXEI-GOEBONIOSA-N 2 2 338.448 1.875 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)c(OC)co2)[C@@H](C)C1 ZINC000276145568 443653751 /nfs/dbraw/zinc/65/37/51/443653751.db2.gz BDQUGOZGXMSXEI-GOEBONIOSA-N 2 2 338.448 1.875 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283527138 443654217 /nfs/dbraw/zinc/65/42/17/443654217.db2.gz REDTZDQAXHEFJA-AXHPFZFWSA-N 2 2 331.464 1.440 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283527138 443654221 /nfs/dbraw/zinc/65/42/21/443654221.db2.gz REDTZDQAXHEFJA-AXHPFZFWSA-N 2 2 331.464 1.440 20 0 EDADLP CCC(C)(C)NC(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441061321 320087239 /nfs/dbraw/zinc/08/72/39/320087239.db2.gz WPYZENBIABMICW-UHFFFAOYSA-N 2 2 338.540 1.782 20 0 EDADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345410 320093384 /nfs/dbraw/zinc/09/33/84/320093384.db2.gz GSDMBFUOOHTHST-QGZVFWFLSA-N 3 2 336.524 1.536 20 0 EDADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345410 320093386 /nfs/dbraw/zinc/09/33/86/320093386.db2.gz GSDMBFUOOHTHST-QGZVFWFLSA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345410 320093389 /nfs/dbraw/zinc/09/33/89/320093389.db2.gz GSDMBFUOOHTHST-QGZVFWFLSA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345410 320093392 /nfs/dbraw/zinc/09/33/92/320093392.db2.gz GSDMBFUOOHTHST-QGZVFWFLSA-N 3 2 336.524 1.536 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389607 320186862 /nfs/dbraw/zinc/18/68/62/320186862.db2.gz DFJGHTGLRGNXNR-JKSUJKDBSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389607 320186863 /nfs/dbraw/zinc/18/68/63/320186863.db2.gz DFJGHTGLRGNXNR-JKSUJKDBSA-N 2 2 349.475 1.849 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000452207994 320245532 /nfs/dbraw/zinc/24/55/32/320245532.db2.gz OILVQMOCDORSNW-INIZCTEOSA-N 2 2 348.834 1.863 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000452207994 320245533 /nfs/dbraw/zinc/24/55/33/320245533.db2.gz OILVQMOCDORSNW-INIZCTEOSA-N 2 2 348.834 1.863 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000453983527 320275711 /nfs/dbraw/zinc/27/57/11/320275711.db2.gz VFJRHPSDVHDJJF-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000453983527 320275713 /nfs/dbraw/zinc/27/57/13/320275713.db2.gz VFJRHPSDVHDJJF-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000454617916 320291414 /nfs/dbraw/zinc/29/14/14/320291414.db2.gz YCRYHKLHNBVVOU-CQSZACIVSA-N 2 2 337.468 1.481 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000454617916 320291415 /nfs/dbraw/zinc/29/14/15/320291415.db2.gz YCRYHKLHNBVVOU-CQSZACIVSA-N 2 2 337.468 1.481 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000276241404 443674881 /nfs/dbraw/zinc/67/48/81/443674881.db2.gz KYNFEUOEXORVTH-UHFFFAOYSA-N 2 2 331.420 1.381 20 0 EDADLP O=C(C1C[NH+](C2CCCCC2)C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000457583531 320329355 /nfs/dbraw/zinc/32/93/55/320329355.db2.gz QUCURDWGYLULGJ-UHFFFAOYSA-N 2 2 331.464 1.318 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCc3c[nH+]cn3C)CC2)C1 ZINC000459362018 320347169 /nfs/dbraw/zinc/34/71/69/320347169.db2.gz GJENULUWVZQGHL-IAGOWNOFSA-N 2 2 347.507 1.275 20 0 EDADLP C[N@H+](CCn1cc(Cl)cn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000459332438 320347178 /nfs/dbraw/zinc/34/71/78/320347178.db2.gz GXPGAUFAXZFNAD-UHFFFAOYSA-N 2 2 336.871 1.829 20 0 EDADLP C[N@@H+](CCn1cc(Cl)cn1)C1CC[NH+](CCn2cccn2)CC1 ZINC000459332438 320347179 /nfs/dbraw/zinc/34/71/79/320347179.db2.gz GXPGAUFAXZFNAD-UHFFFAOYSA-N 2 2 336.871 1.829 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000479336682 320355214 /nfs/dbraw/zinc/35/52/14/320355214.db2.gz ASGVQQKIAFNGHD-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000488408439 320358491 /nfs/dbraw/zinc/35/84/91/320358491.db2.gz FRPJTWHVPIPYQR-GDBMZVCRSA-N 2 2 337.489 1.368 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000493589985 320395302 /nfs/dbraw/zinc/39/53/02/320395302.db2.gz NSXBCGOQNYJMKU-KXMPLOMGSA-N 2 2 344.278 1.625 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000493589985 320395303 /nfs/dbraw/zinc/39/53/03/320395303.db2.gz NSXBCGOQNYJMKU-KXMPLOMGSA-N 2 2 344.278 1.625 20 0 EDADLP NC(=O)NC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000286323466 443690843 /nfs/dbraw/zinc/69/08/43/443690843.db2.gz HVWUIAAZBAGHSM-UHFFFAOYSA-N 2 2 345.491 1.331 20 0 EDADLP C[C@@H]1C[NH+](CC2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)C[C@@H](C)O1 ZINC000276554951 443745317 /nfs/dbraw/zinc/74/53/17/443745317.db2.gz ILRVIZXNAAGOHC-LRPXVYOUSA-N 2 2 332.448 1.771 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000283757442 443708824 /nfs/dbraw/zinc/70/88/24/443708824.db2.gz AXJXRWSCCBXDGE-HNNXBMFYSA-N 2 2 349.479 1.159 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000283757442 443708828 /nfs/dbraw/zinc/70/88/28/443708828.db2.gz AXJXRWSCCBXDGE-HNNXBMFYSA-N 2 2 349.479 1.159 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288160689 443789380 /nfs/dbraw/zinc/78/93/80/443789380.db2.gz ZQMSLLMXRONDPG-CABCVRRESA-N 2 2 347.463 1.454 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000283873254 443751306 /nfs/dbraw/zinc/75/13/06/443751306.db2.gz GVBDUAZZYVPCEK-MSOLQXFVSA-N 2 2 346.475 1.363 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000283873254 443751309 /nfs/dbraw/zinc/75/13/09/443751309.db2.gz GVBDUAZZYVPCEK-MSOLQXFVSA-N 2 2 346.475 1.363 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000529354631 320576529 /nfs/dbraw/zinc/57/65/29/320576529.db2.gz FOPFSCLMVJYRMX-MRXNPFEDSA-N 2 2 329.448 1.193 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ocnc3C(F)F)C2)CC1 ZINC000625523140 450408193 /nfs/dbraw/zinc/40/81/93/450408193.db2.gz ZRJMFQQOWLKDHG-JTQLQIEISA-N 2 2 328.363 1.511 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000292773441 443840193 /nfs/dbraw/zinc/84/01/93/443840193.db2.gz KSKXMCOCUHDTCJ-INIZCTEOSA-N 2 2 349.479 1.248 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000292773441 443840196 /nfs/dbraw/zinc/84/01/96/443840196.db2.gz KSKXMCOCUHDTCJ-INIZCTEOSA-N 2 2 349.479 1.248 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000288337096 443848740 /nfs/dbraw/zinc/84/87/40/443848740.db2.gz YLNVDFPRNYSBOZ-OCCSQVGLSA-N 2 2 332.404 1.114 20 0 EDADLP C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000299057540 443942023 /nfs/dbraw/zinc/94/20/23/443942023.db2.gz QUKCBWWVQNPMIU-UHFFFAOYSA-N 2 2 329.404 1.267 20 0 EDADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cncc(F)c1 ZINC000285395982 443969129 /nfs/dbraw/zinc/96/91/29/443969129.db2.gz DUUYGPJYLQLPIW-FCLXEUQJSA-N 2 2 334.439 1.955 20 0 EDADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cncc(F)c1 ZINC000285395982 443969135 /nfs/dbraw/zinc/96/91/35/443969135.db2.gz DUUYGPJYLQLPIW-FCLXEUQJSA-N 2 2 334.439 1.955 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299213931 443985115 /nfs/dbraw/zinc/98/51/15/443985115.db2.gz HCJLEGXSLULOIQ-CYBMUJFWSA-N 2 2 331.420 1.509 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299213931 443985116 /nfs/dbraw/zinc/98/51/16/443985116.db2.gz HCJLEGXSLULOIQ-CYBMUJFWSA-N 2 2 331.420 1.509 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)C(=O)NCCn2cc[nH+]c2)ccc1Cl ZINC000281609702 443957730 /nfs/dbraw/zinc/95/77/30/443957730.db2.gz CFJBXFQZEZTNNT-UHFFFAOYSA-N 2 2 349.822 1.353 20 0 EDADLP CC[C@H](C)NC(=O)CN1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000289033825 444038930 /nfs/dbraw/zinc/03/89/30/444038930.db2.gz HESBNOXOBOOCRM-KRWDZBQOSA-N 2 2 332.492 1.855 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1(CO)CC1 ZINC000285497439 444006877 /nfs/dbraw/zinc/00/68/77/444006877.db2.gz MNHHRSXWBPAYLV-UHFFFAOYSA-N 2 2 349.500 1.631 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1(CO)CC1 ZINC000285497439 444006879 /nfs/dbraw/zinc/00/68/79/444006879.db2.gz MNHHRSXWBPAYLV-UHFFFAOYSA-N 2 2 349.500 1.631 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCC[NH+](C)Cc2ccco2)C[C@H](C)O1 ZINC000285522140 444015348 /nfs/dbraw/zinc/01/53/48/444015348.db2.gz DZNZTMYGHRIFIC-IYBDPMFKSA-N 2 2 337.464 1.669 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCC[NH+](C)Cc2ccco2)C[C@H](C)O1 ZINC000285522140 444015354 /nfs/dbraw/zinc/01/53/54/444015354.db2.gz DZNZTMYGHRIFIC-IYBDPMFKSA-N 2 2 337.464 1.669 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+](C)CCC[N@H+](C)Cc2ccco2)C[C@H](C)O1 ZINC000285522140 444015356 /nfs/dbraw/zinc/01/53/56/444015356.db2.gz DZNZTMYGHRIFIC-IYBDPMFKSA-N 2 2 337.464 1.669 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+](C)CCC[N@@H+](C)Cc2ccco2)C[C@H](C)O1 ZINC000285522140 444015358 /nfs/dbraw/zinc/01/53/58/444015358.db2.gz DZNZTMYGHRIFIC-IYBDPMFKSA-N 2 2 337.464 1.669 20 0 EDADLP C[C@H]1CN(C(=O)C[N@H+](C)CCC[NH+](C)Cc2ccco2)C[C@H](C)O1 ZINC000285522135 444015531 /nfs/dbraw/zinc/01/55/31/444015531.db2.gz DZNZTMYGHRIFIC-HOTGVXAUSA-N 2 2 337.464 1.669 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+](C)CCC[NH+](C)Cc2ccco2)C[C@H](C)O1 ZINC000285522135 444015534 /nfs/dbraw/zinc/01/55/34/444015534.db2.gz DZNZTMYGHRIFIC-HOTGVXAUSA-N 2 2 337.464 1.669 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+](C)CCC[N@H+](C)Cc2ccco2)C[C@H](C)O1 ZINC000285522135 444015536 /nfs/dbraw/zinc/01/55/36/444015536.db2.gz DZNZTMYGHRIFIC-HOTGVXAUSA-N 2 2 337.464 1.669 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+](C)CCC[N@@H+](C)Cc2ccco2)C[C@H](C)O1 ZINC000285522135 444015539 /nfs/dbraw/zinc/01/55/39/444015539.db2.gz DZNZTMYGHRIFIC-HOTGVXAUSA-N 2 2 337.464 1.669 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000554563899 320953961 /nfs/dbraw/zinc/95/39/61/320953961.db2.gz JECAMQGIEXBYSO-UHFFFAOYSA-N 2 2 342.443 1.754 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285570259 444032685 /nfs/dbraw/zinc/03/26/85/444032685.db2.gz NSKOAMPMYMVKHN-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285570259 444032688 /nfs/dbraw/zinc/03/26/88/444032688.db2.gz NSKOAMPMYMVKHN-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285570259 444032692 /nfs/dbraw/zinc/03/26/92/444032692.db2.gz NSKOAMPMYMVKHN-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285570259 444032694 /nfs/dbraw/zinc/03/26/94/444032694.db2.gz NSKOAMPMYMVKHN-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000293627037 444074600 /nfs/dbraw/zinc/07/46/00/444074600.db2.gz ISVOXBPUNPSQKD-CRAIPNDOSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000293627037 444074604 /nfs/dbraw/zinc/07/46/04/444074604.db2.gz ISVOXBPUNPSQKD-CRAIPNDOSA-N 2 2 342.443 1.459 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299494215 444061740 /nfs/dbraw/zinc/06/17/40/444061740.db2.gz OBURSJIUOIFSIN-UHFFFAOYSA-N 2 2 341.459 1.369 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000299494215 444061748 /nfs/dbraw/zinc/06/17/48/444061748.db2.gz OBURSJIUOIFSIN-UHFFFAOYSA-N 2 2 341.459 1.369 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCC2([NH3+])CCC2)[NH+]2CCOCC2)cc1 ZINC000557120934 321000161 /nfs/dbraw/zinc/00/01/61/321000161.db2.gz HDLLIQIMYRWUBA-KRWDZBQOSA-N 2 2 346.475 1.549 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000299505723 444065067 /nfs/dbraw/zinc/06/50/67/444065067.db2.gz LGGYLZFKCCAHMJ-KRWDZBQOSA-N 2 2 344.459 1.036 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000299505723 444065071 /nfs/dbraw/zinc/06/50/71/444065071.db2.gz LGGYLZFKCCAHMJ-KRWDZBQOSA-N 2 2 344.459 1.036 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000558424009 321012450 /nfs/dbraw/zinc/01/24/50/321012450.db2.gz XFFSSXIYEFOASK-ICXUMSERSA-N 2 2 344.459 1.617 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000558424009 321012451 /nfs/dbraw/zinc/01/24/51/321012451.db2.gz XFFSSXIYEFOASK-ICXUMSERSA-N 2 2 344.459 1.617 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000560404992 321026549 /nfs/dbraw/zinc/02/65/49/321026549.db2.gz HBGRGRZUINJCSE-UHFFFAOYSA-N 2 2 334.445 1.574 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCC(=O)c1cccs1 ZINC000560404992 321026550 /nfs/dbraw/zinc/02/65/50/321026550.db2.gz HBGRGRZUINJCSE-UHFFFAOYSA-N 2 2 334.445 1.574 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560999382 321030738 /nfs/dbraw/zinc/03/07/38/321030738.db2.gz RPBQARWTCBDSLO-CQSZACIVSA-N 2 2 329.404 1.263 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560999382 321030739 /nfs/dbraw/zinc/03/07/39/321030739.db2.gz RPBQARWTCBDSLO-CQSZACIVSA-N 2 2 329.404 1.263 20 0 EDADLP CC(C)Oc1ccc([C@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000561125249 321034018 /nfs/dbraw/zinc/03/40/18/321034018.db2.gz OKVAVEJBLVWJHQ-GOEBONIOSA-N 2 2 334.464 1.819 20 0 EDADLP CC(C)Oc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000561125249 321034019 /nfs/dbraw/zinc/03/40/19/321034019.db2.gz OKVAVEJBLVWJHQ-GOEBONIOSA-N 2 2 334.464 1.819 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C(=O)NCC[C@@H]3C)c2cc1C ZINC000562515564 321060721 /nfs/dbraw/zinc/06/07/21/321060721.db2.gz OHXJGHZHVMZFEI-KHIZAZIESA-N 2 2 330.432 1.128 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)CNC2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000562986942 321084830 /nfs/dbraw/zinc/08/48/30/321084830.db2.gz DJGXQSQWZPWBHA-INMHGKMJSA-N 2 2 327.513 1.309 20 0 EDADLP COc1cc(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C ZINC000562994501 321086651 /nfs/dbraw/zinc/08/66/51/321086651.db2.gz BTPJJNJCRPJBRQ-NUJGCVRESA-N 2 2 336.476 1.606 20 0 EDADLP CC(C)O[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000563067438 321092442 /nfs/dbraw/zinc/09/24/42/321092442.db2.gz GWDHGXRSMOPIDO-QGZVFWFLSA-N 2 2 346.475 1.620 20 0 EDADLP CC(C)O[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000563067438 321092443 /nfs/dbraw/zinc/09/24/43/321092443.db2.gz GWDHGXRSMOPIDO-QGZVFWFLSA-N 2 2 346.475 1.620 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CCC2 ZINC000563248439 321104090 /nfs/dbraw/zinc/10/40/90/321104090.db2.gz APVIBQSNHXUSDP-CABCVRRESA-N 2 2 327.432 1.953 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000563942582 321116953 /nfs/dbraw/zinc/11/69/53/321116953.db2.gz PAHWNFXCQQTOFH-OAHLLOKOSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000563942582 321116954 /nfs/dbraw/zinc/11/69/54/321116954.db2.gz PAHWNFXCQQTOFH-OAHLLOKOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cncc(Br)c1 ZINC000564585110 321136658 /nfs/dbraw/zinc/13/66/58/321136658.db2.gz KSFXNDDKDJGAKT-FZMZJTMJSA-N 2 2 328.254 1.951 20 0 EDADLP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)Cn1cc[nH+]c1 ZINC000564643220 321139980 /nfs/dbraw/zinc/13/99/80/321139980.db2.gz JJCFPLQNQGIDBG-HNNXBMFYSA-N 2 2 336.436 1.149 20 0 EDADLP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)Cn1cc[nH+]c1 ZINC000564643220 321139982 /nfs/dbraw/zinc/13/99/82/321139982.db2.gz JJCFPLQNQGIDBG-HNNXBMFYSA-N 2 2 336.436 1.149 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)c1 ZINC000564915436 321156685 /nfs/dbraw/zinc/15/66/85/321156685.db2.gz HMPXKZAVFQEYSE-PBHICJAKSA-N 2 2 347.459 1.346 20 0 EDADLP O=C(COC1CC[NH2+]CC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000564915467 321156933 /nfs/dbraw/zinc/15/69/33/321156933.db2.gz UWJMEZSWLVEAQT-UHFFFAOYSA-N 2 2 328.416 1.316 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000564988041 321163198 /nfs/dbraw/zinc/16/31/98/321163198.db2.gz VIIUEOZCGJLVNV-CYBMUJFWSA-N 2 2 327.881 1.924 20 0 EDADLP C[N@H+]1CCN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000564988041 321163200 /nfs/dbraw/zinc/16/32/00/321163200.db2.gz VIIUEOZCGJLVNV-CYBMUJFWSA-N 2 2 327.881 1.924 20 0 EDADLP O=C(C[NH2+][C@@H]1CCCOc2cc(F)cc(F)c21)N1CC[NH2+]CC1 ZINC000566087848 321214339 /nfs/dbraw/zinc/21/43/39/321214339.db2.gz ZKQIKXQUCBNAFX-CYBMUJFWSA-N 2 2 325.359 1.200 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCC(=O)NC3(C)C)[nH+]c2)C1 ZINC000566832745 321234762 /nfs/dbraw/zinc/23/47/62/321234762.db2.gz DLSFIRKXGFQXBJ-HUUCEWRRSA-N 2 2 331.464 1.691 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484681 321244193 /nfs/dbraw/zinc/24/41/93/321244193.db2.gz WUJIHKYQQSTJMR-KGLIPLIRSA-N 2 2 338.414 1.980 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484681 321244195 /nfs/dbraw/zinc/24/41/95/321244195.db2.gz WUJIHKYQQSTJMR-KGLIPLIRSA-N 2 2 338.414 1.980 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484681 321244196 /nfs/dbraw/zinc/24/41/96/321244196.db2.gz WUJIHKYQQSTJMR-KGLIPLIRSA-N 2 2 338.414 1.980 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484681 321244198 /nfs/dbraw/zinc/24/41/98/321244198.db2.gz WUJIHKYQQSTJMR-KGLIPLIRSA-N 2 2 338.414 1.980 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000567906872 321268220 /nfs/dbraw/zinc/26/82/20/321268220.db2.gz ASYTZCHGKWLVPD-LSDHHAIUSA-N 3 2 333.480 1.501 20 0 EDADLP C[C@@H](CC(=O)NCCCNC(=O)C[C@H](C)n1cc[nH+]c1)n1cc[nH+]c1 ZINC000568040611 321273867 /nfs/dbraw/zinc/27/38/67/321273867.db2.gz ZTZFABKXUPRKBP-GJZGRUSLSA-N 2 2 346.435 1.305 20 0 EDADLP C[NH+](CCC[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O)Cc1ccco1 ZINC000285765052 444100655 /nfs/dbraw/zinc/10/06/55/444100655.db2.gz SMIRMNLQCCUQEV-UHFFFAOYSA-N 2 2 336.436 1.364 20 0 EDADLP C[NH+](CCC[N@H+](C)CCN1C(=O)NC(C)(C)C1=O)Cc1ccco1 ZINC000285765052 444100658 /nfs/dbraw/zinc/10/06/58/444100658.db2.gz SMIRMNLQCCUQEV-UHFFFAOYSA-N 2 2 336.436 1.364 20 0 EDADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCN1C(=O)NC(C)(C)C1=O ZINC000285765052 444100661 /nfs/dbraw/zinc/10/06/61/444100661.db2.gz SMIRMNLQCCUQEV-UHFFFAOYSA-N 2 2 336.436 1.364 20 0 EDADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCN1C(=O)NC(C)(C)C1=O ZINC000285765052 444100664 /nfs/dbraw/zinc/10/06/64/444100664.db2.gz SMIRMNLQCCUQEV-UHFFFAOYSA-N 2 2 336.436 1.364 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3([NH3+])CCC3)c2)CC1 ZINC000568999272 321314053 /nfs/dbraw/zinc/31/40/53/321314053.db2.gz WYQDFZMOAQGBMK-UHFFFAOYSA-N 2 2 330.432 1.171 20 0 EDADLP C[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000569248177 321322674 /nfs/dbraw/zinc/32/26/74/321322674.db2.gz IIRXBJHYBILPHA-LBPRGKRZSA-N 2 2 345.896 1.761 20 0 EDADLP C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000569248177 321322675 /nfs/dbraw/zinc/32/26/75/321322675.db2.gz IIRXBJHYBILPHA-LBPRGKRZSA-N 2 2 345.896 1.761 20 0 EDADLP C[NH+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000569248177 321322676 /nfs/dbraw/zinc/32/26/76/321322676.db2.gz IIRXBJHYBILPHA-LBPRGKRZSA-N 2 2 345.896 1.761 20 0 EDADLP C[NH+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000569248177 321322677 /nfs/dbraw/zinc/32/26/77/321322677.db2.gz IIRXBJHYBILPHA-LBPRGKRZSA-N 2 2 345.896 1.761 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000570564794 321347973 /nfs/dbraw/zinc/34/79/73/321347973.db2.gz GBRJFRIONLLTBL-KPFFTGBYSA-N 2 2 348.487 1.796 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000570564794 321347975 /nfs/dbraw/zinc/34/79/75/321347975.db2.gz GBRJFRIONLLTBL-KPFFTGBYSA-N 2 2 348.487 1.796 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570756380 321355848 /nfs/dbraw/zinc/35/58/48/321355848.db2.gz VQYYLCKCUUYLAK-OAHLLOKOSA-N 2 2 327.432 1.579 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000570880624 321361528 /nfs/dbraw/zinc/36/15/28/321361528.db2.gz BVCVRSDQWZYGJT-HUUCEWRRSA-N 2 2 335.452 1.166 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000570880624 321361529 /nfs/dbraw/zinc/36/15/29/321361529.db2.gz BVCVRSDQWZYGJT-HUUCEWRRSA-N 2 2 335.452 1.166 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[NH+]1CC(C)C1 ZINC000571102134 321371495 /nfs/dbraw/zinc/37/14/95/321371495.db2.gz GVZVNMPBUIMQJT-KRWDZBQOSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[NH+]1CC(C)C1 ZINC000571102134 321371496 /nfs/dbraw/zinc/37/14/96/321371496.db2.gz GVZVNMPBUIMQJT-KRWDZBQOSA-N 2 2 344.503 1.390 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)C2 ZINC000571386394 321385441 /nfs/dbraw/zinc/38/54/41/321385441.db2.gz PRQNPYQCLHCYBW-RBSFLKMASA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)C2 ZINC000571386394 321385442 /nfs/dbraw/zinc/38/54/42/321385442.db2.gz PRQNPYQCLHCYBW-RBSFLKMASA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)CC2 ZINC000571386394 321385443 /nfs/dbraw/zinc/38/54/43/321385443.db2.gz PRQNPYQCLHCYBW-RBSFLKMASA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)CC2 ZINC000571386394 321385445 /nfs/dbraw/zinc/38/54/45/321385445.db2.gz PRQNPYQCLHCYBW-RBSFLKMASA-N 2 2 348.491 1.552 20 0 EDADLP CNc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000285866604 444134227 /nfs/dbraw/zinc/13/42/27/444134227.db2.gz DRPUEZUQXHGEGV-UHFFFAOYSA-N 2 2 331.464 1.412 20 0 EDADLP CCC[C@H](C)[C@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000573497282 321457445 /nfs/dbraw/zinc/45/74/45/321457445.db2.gz WJDAVBCJMTZYCN-HOCLYGCPSA-N 2 2 328.501 1.109 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000574078170 321468409 /nfs/dbraw/zinc/46/84/09/321468409.db2.gz UNVHWVCQAKIEOG-JQHSSLGASA-N 2 2 331.460 1.483 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1)CC[NH+](C)C ZINC000289534159 444166767 /nfs/dbraw/zinc/16/67/67/444166767.db2.gz WGQIKHCLOLFAII-UHFFFAOYSA-N 3 2 330.480 1.583 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1)CC[NH+](C)C ZINC000289534159 444166768 /nfs/dbraw/zinc/16/67/68/444166768.db2.gz WGQIKHCLOLFAII-UHFFFAOYSA-N 3 2 330.480 1.583 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCOC3(CCCC3)C2)C[C@@H](C)O1 ZINC000574983146 321509854 /nfs/dbraw/zinc/50/98/54/321509854.db2.gz ZVIDSAVRYFEEDE-QBPKDAKJSA-N 2 2 326.481 1.538 20 0 EDADLP C[N@H+](C[C@@H](O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000289741987 444197386 /nfs/dbraw/zinc/19/73/86/444197386.db2.gz IGOVMHLHLGNSFU-GOSISDBHSA-N 2 2 337.895 1.913 20 0 EDADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000289741987 444197387 /nfs/dbraw/zinc/19/73/87/444197387.db2.gz IGOVMHLHLGNSFU-GOSISDBHSA-N 2 2 337.895 1.913 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](Nc1cc(N3CCC[C@H]3CO)nc[nH+]1)C2 ZINC000301968489 444198668 /nfs/dbraw/zinc/19/86/68/444198668.db2.gz YIEVWLUPDKFXNK-KGLIPLIRSA-N 2 2 328.420 1.370 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](Nc1cc(N3CCC[C@H]3CO)[nH+]cn1)C2 ZINC000301968489 444198670 /nfs/dbraw/zinc/19/86/70/444198670.db2.gz YIEVWLUPDKFXNK-KGLIPLIRSA-N 2 2 328.420 1.370 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1 ZINC000301965857 444198700 /nfs/dbraw/zinc/19/87/00/444198700.db2.gz XPEJQJJAEPMYJC-LSDHHAIUSA-N 2 2 328.420 1.636 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1 ZINC000301965857 444198702 /nfs/dbraw/zinc/19/87/02/444198702.db2.gz XPEJQJJAEPMYJC-LSDHHAIUSA-N 2 2 328.420 1.636 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302905536 444231348 /nfs/dbraw/zinc/23/13/48/444231348.db2.gz SMIACDXPSVNYGZ-CVEARBPZSA-N 2 2 333.480 1.748 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(C)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302905536 444231351 /nfs/dbraw/zinc/23/13/51/444231351.db2.gz SMIACDXPSVNYGZ-CVEARBPZSA-N 2 2 333.480 1.748 20 0 EDADLP c1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000302919466 444231806 /nfs/dbraw/zinc/23/18/06/444231806.db2.gz YLJJHSAQJVCUSV-INIZCTEOSA-N 2 2 331.464 1.990 20 0 EDADLP c1nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000302919466 444231808 /nfs/dbraw/zinc/23/18/08/444231808.db2.gz YLJJHSAQJVCUSV-INIZCTEOSA-N 2 2 331.464 1.990 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303032700 444232329 /nfs/dbraw/zinc/23/23/29/444232329.db2.gz XRNDDDIJHOYINR-XDNAFOTISA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303032700 444232331 /nfs/dbraw/zinc/23/23/31/444232331.db2.gz XRNDDDIJHOYINR-XDNAFOTISA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303032700 444232333 /nfs/dbraw/zinc/23/23/33/444232333.db2.gz XRNDDDIJHOYINR-XDNAFOTISA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303032700 444232335 /nfs/dbraw/zinc/23/23/35/444232335.db2.gz XRNDDDIJHOYINR-XDNAFOTISA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H](C)O ZINC000303989106 444239548 /nfs/dbraw/zinc/23/95/48/444239548.db2.gz KJLAHPAWHVDALS-KRWDZBQOSA-N 2 2 333.476 1.422 20 0 EDADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H](C)O ZINC000303989106 444239551 /nfs/dbraw/zinc/23/95/51/444239551.db2.gz KJLAHPAWHVDALS-KRWDZBQOSA-N 2 2 333.476 1.422 20 0 EDADLP Cc1ccccc1-n1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)nn1 ZINC000290125699 444245126 /nfs/dbraw/zinc/24/51/26/444245126.db2.gz JEDOPGFPRHNBCZ-UHFFFAOYSA-N 2 2 344.507 1.891 20 0 EDADLP Cc1ccccc1-n1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)nn1 ZINC000290125699 444245127 /nfs/dbraw/zinc/24/51/27/444245127.db2.gz JEDOPGFPRHNBCZ-UHFFFAOYSA-N 2 2 344.507 1.891 20 0 EDADLP CN(C)S(=O)(=O)CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297592032 444305709 /nfs/dbraw/zinc/30/57/09/444305709.db2.gz JGCPZULBHOXHHF-UHFFFAOYSA-N 2 2 348.472 1.248 20 0 EDADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nc(N(C)C)[nH+]1 ZINC000328957430 444422983 /nfs/dbraw/zinc/42/29/83/444422983.db2.gz OACZGTMUTGSOMM-GJZGRUSLSA-N 2 2 348.401 2.382 20 0 EDADLP Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nc(N(C)C)[nH+]1 ZINC000328957430 444422988 /nfs/dbraw/zinc/42/29/88/444422988.db2.gz OACZGTMUTGSOMM-GJZGRUSLSA-N 2 2 348.401 2.382 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000298003158 444384281 /nfs/dbraw/zinc/38/42/81/444384281.db2.gz JDSQFFWXIYMFKU-LSDHHAIUSA-N 2 2 347.463 1.058 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000332032066 444496448 /nfs/dbraw/zinc/49/64/48/444496448.db2.gz IMMAOBLQRNXTBN-CQSZACIVSA-N 2 2 347.463 1.167 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3F)C[C@H]2[NH3+])cn1 ZINC000580063262 322003478 /nfs/dbraw/zinc/00/34/78/322003478.db2.gz WTOZRHMZAHCQRH-DZGCQCFKSA-N 2 2 331.395 1.315 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3F)C[C@H]2[NH3+])cn1 ZINC000580063262 322003480 /nfs/dbraw/zinc/00/34/80/322003480.db2.gz WTOZRHMZAHCQRH-DZGCQCFKSA-N 2 2 331.395 1.315 20 0 EDADLP [NH3+]CCCCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000580188379 322020807 /nfs/dbraw/zinc/02/08/07/322020807.db2.gz KKRZVKKMCBLMTG-UHFFFAOYSA-N 2 2 339.867 1.992 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccc(OC)cc3CC2)CC1 ZINC000340757459 444500906 /nfs/dbraw/zinc/50/09/06/444500906.db2.gz NKNMBULRDYXZIW-INIZCTEOSA-N 2 2 345.487 1.648 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccc(OC)cc3CC2)CC1 ZINC000340757459 444500907 /nfs/dbraw/zinc/50/09/07/444500907.db2.gz NKNMBULRDYXZIW-INIZCTEOSA-N 2 2 345.487 1.648 20 0 EDADLP Cc1nc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc(N2C[C@H]3CC[NH+](C)[C@H]3C2)[nH+]1 ZINC000580695617 322082719 /nfs/dbraw/zinc/08/27/19/322082719.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 3 2 342.491 1.066 20 0 EDADLP Cc1nc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc(N2C[C@H]3CC[NH+](C)[C@H]3C2)[nH+]1 ZINC000580695617 322082722 /nfs/dbraw/zinc/08/27/22/322082722.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 3 2 342.491 1.066 20 0 EDADLP Cc1nc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)[nH+]1 ZINC000580695617 322082724 /nfs/dbraw/zinc/08/27/24/322082724.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 3 2 342.491 1.066 20 0 EDADLP Cc1nc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)[nH+]1 ZINC000580695617 322082726 /nfs/dbraw/zinc/08/27/26/322082726.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 3 2 342.491 1.066 20 0 EDADLP Cc1nc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[nH+]1 ZINC000580695617 322082727 /nfs/dbraw/zinc/08/27/27/322082727.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 3 2 342.491 1.066 20 0 EDADLP Cc1nc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[nH+]1 ZINC000580695617 322082730 /nfs/dbraw/zinc/08/27/30/322082730.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 3 2 342.491 1.066 20 0 EDADLP Cc1nc(N2C[C@H]3CC[NH+](C)[C@H]3C2)cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[nH+]1 ZINC000580695617 322082732 /nfs/dbraw/zinc/08/27/32/322082732.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 3 2 342.491 1.066 20 0 EDADLP Cc1nc(N2C[C@H]3CC[NH+](C)[C@H]3C2)cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)[nH+]1 ZINC000580695617 322082734 /nfs/dbraw/zinc/08/27/34/322082734.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 3 2 342.491 1.066 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000581136055 322140925 /nfs/dbraw/zinc/14/09/25/322140925.db2.gz QRFCYKXAWPRPFL-QGZVFWFLSA-N 2 2 341.883 1.437 20 0 EDADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000581136055 322140928 /nfs/dbraw/zinc/14/09/28/322140928.db2.gz QRFCYKXAWPRPFL-QGZVFWFLSA-N 2 2 341.883 1.437 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000332307099 444509254 /nfs/dbraw/zinc/50/92/54/444509254.db2.gz MGGGYKOEKIAPPE-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000332307099 444509255 /nfs/dbraw/zinc/50/92/55/444509255.db2.gz MGGGYKOEKIAPPE-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1Cc1ccccc1C[NH+]1CCN(C)C[C@@H]1C ZINC000343717454 444542830 /nfs/dbraw/zinc/54/28/30/444542830.db2.gz QZURDYDHYUQVMY-ROUUACIJSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1C[NH+]1CCN(C)C[C@@H]1C ZINC000343717454 444542832 /nfs/dbraw/zinc/54/28/32/444542832.db2.gz QZURDYDHYUQVMY-ROUUACIJSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@H]1C[NH+](C)CCN1Cc1ccccc1C[N@@H+]1CCN(C)C[C@@H]1C ZINC000343717454 444542833 /nfs/dbraw/zinc/54/28/33/444542833.db2.gz QZURDYDHYUQVMY-ROUUACIJSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@H]1C[NH+](C)CCN1Cc1ccccc1C[N@H+]1CCN(C)C[C@@H]1C ZINC000343717454 444542835 /nfs/dbraw/zinc/54/28/35/444542835.db2.gz QZURDYDHYUQVMY-ROUUACIJSA-N 2 2 330.520 1.958 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)nc[nH+]1 ZINC000333011021 444628498 /nfs/dbraw/zinc/62/84/98/444628498.db2.gz SJJOJXLLNSJMLQ-GJZGRUSLSA-N 2 2 344.463 1.230 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)nc[nH+]1 ZINC000333011021 444628505 /nfs/dbraw/zinc/62/85/05/444628505.db2.gz SJJOJXLLNSJMLQ-GJZGRUSLSA-N 2 2 344.463 1.230 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[nH+]cn1 ZINC000333011021 444628510 /nfs/dbraw/zinc/62/85/10/444628510.db2.gz SJJOJXLLNSJMLQ-GJZGRUSLSA-N 2 2 344.463 1.230 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[nH+]cn1 ZINC000333011021 444628516 /nfs/dbraw/zinc/62/85/16/444628516.db2.gz SJJOJXLLNSJMLQ-GJZGRUSLSA-N 2 2 344.463 1.230 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000342264160 444599208 /nfs/dbraw/zinc/59/92/08/444599208.db2.gz KNFODNZUKGJXNJ-GJZGRUSLSA-N 2 2 349.479 1.032 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)s1 ZINC000338283731 444610279 /nfs/dbraw/zinc/61/02/79/444610279.db2.gz HYYUGSMUEMLHME-LLVKDONJSA-N 2 2 325.482 1.297 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)nc1 ZINC000338306836 444622077 /nfs/dbraw/zinc/62/20/77/444622077.db2.gz YNORPAAFGOZORN-GDBMZVCRSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)nc1 ZINC000338306836 444622080 /nfs/dbraw/zinc/62/20/80/444622080.db2.gz YNORPAAFGOZORN-GDBMZVCRSA-N 2 2 347.438 1.868 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000341115059 444680803 /nfs/dbraw/zinc/68/08/03/444680803.db2.gz CZARWQRFZIZXTR-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000341115059 444680806 /nfs/dbraw/zinc/68/08/06/444680806.db2.gz CZARWQRFZIZXTR-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@@H]1C ZINC000329581415 444636522 /nfs/dbraw/zinc/63/65/22/444636522.db2.gz PYIPKFTWPSAGMZ-STQMWFEESA-N 2 2 335.477 1.764 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@@H]1C ZINC000329581415 444636524 /nfs/dbraw/zinc/63/65/24/444636524.db2.gz PYIPKFTWPSAGMZ-STQMWFEESA-N 2 2 335.477 1.764 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@@H]1C ZINC000329581415 444636528 /nfs/dbraw/zinc/63/65/28/444636528.db2.gz PYIPKFTWPSAGMZ-STQMWFEESA-N 2 2 335.477 1.764 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@@H]1C ZINC000329581415 444636530 /nfs/dbraw/zinc/63/65/30/444636530.db2.gz PYIPKFTWPSAGMZ-STQMWFEESA-N 2 2 335.477 1.764 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)c2cc(N3CCSCC3)[nH+]cn2)[N@H+](C)C1 ZINC000343869808 444637775 /nfs/dbraw/zinc/63/77/75/444637775.db2.gz CBOGOKQDYGXWKW-ZIAGYGMSSA-N 2 2 337.493 1.185 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)c2cc(N3CCSCC3)[nH+]cn2)[N@@H+](C)C1 ZINC000343869808 444637780 /nfs/dbraw/zinc/63/77/80/444637780.db2.gz CBOGOKQDYGXWKW-ZIAGYGMSSA-N 2 2 337.493 1.185 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000341164847 444705064 /nfs/dbraw/zinc/70/50/64/444705064.db2.gz QZDORPFMJCJGCW-WBVHZDCISA-N 2 2 332.496 1.000 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000341164847 444705065 /nfs/dbraw/zinc/70/50/65/444705065.db2.gz QZDORPFMJCJGCW-WBVHZDCISA-N 2 2 332.496 1.000 20 0 EDADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000333897393 444712355 /nfs/dbraw/zinc/71/23/55/444712355.db2.gz IEDOBZNYVAQZLZ-BZUAXINKSA-N 2 2 329.448 1.301 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000341178918 444712828 /nfs/dbraw/zinc/71/28/28/444712828.db2.gz CEVRZAQRMZYLFR-CQSZACIVSA-N 2 2 341.496 1.497 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333929169 444721100 /nfs/dbraw/zinc/72/11/00/444721100.db2.gz YBLLCDMQEKDQDH-CVEARBPZSA-N 2 2 329.448 1.718 20 0 EDADLP CNc1nc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)[nH+]c2ccccc21 ZINC000333738340 444693909 /nfs/dbraw/zinc/69/39/09/444693909.db2.gz XEVZPQNKVMDDKM-RDJZCZTQSA-N 2 2 341.459 2.394 20 0 EDADLP C[C@@H](O)C[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000341252463 444749246 /nfs/dbraw/zinc/74/92/46/444749246.db2.gz ZYPNCKUPFSUSIY-UONOGXRCSA-N 2 2 326.485 1.004 20 0 EDADLP C[NH+]1CCN(C(=O)C2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)CC1 ZINC000334033287 444753866 /nfs/dbraw/zinc/75/38/66/444753866.db2.gz MHUVDYITJYFFAG-UHFFFAOYSA-N 2 2 344.463 1.041 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341282857 444761085 /nfs/dbraw/zinc/76/10/85/444761085.db2.gz ONWFLLKYPKGPPX-HUUCEWRRSA-N 2 2 330.436 1.176 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000344081347 444770576 /nfs/dbraw/zinc/77/05/76/444770576.db2.gz ZTTCHSUWKJZWDF-BBWFWOEESA-N 2 2 349.500 1.095 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000344081347 444770581 /nfs/dbraw/zinc/77/05/81/444770581.db2.gz ZTTCHSUWKJZWDF-BBWFWOEESA-N 2 2 349.500 1.095 20 0 EDADLP C[NH+](C)C(C)(C)CNc1cc(C2CC2)[nH+]c(NCC(C)(C)[NH+](C)C)n1 ZINC000341375434 444800898 /nfs/dbraw/zinc/80/08/98/444800898.db2.gz NKSAZZROTISLGH-UHFFFAOYSA-N 3 2 348.539 1.702 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000342663318 444802923 /nfs/dbraw/zinc/80/29/23/444802923.db2.gz QBSYROFRWZPJLO-UHFFFAOYSA-N 2 2 335.496 1.937 20 0 EDADLP C[C@@H]1C[C@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC[N@@H+]1C ZINC000344173399 444821246 /nfs/dbraw/zinc/82/12/46/444821246.db2.gz NFVLDOZLYYOAHB-GDBMZVCRSA-N 2 2 332.448 1.265 20 0 EDADLP C[C@@H]1C[C@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC[N@H+]1C ZINC000344173399 444821247 /nfs/dbraw/zinc/82/12/47/444821247.db2.gz NFVLDOZLYYOAHB-GDBMZVCRSA-N 2 2 332.448 1.265 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H]4OCCN(C)[C@H]4C3)c2cc1C ZINC000336891466 444837008 /nfs/dbraw/zinc/83/70/08/444837008.db2.gz PYFSOFNJGPROQM-AYOQOUSVSA-N 2 2 344.459 1.029 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H]4OCCN(C)[C@H]4C3)c2cc1C ZINC000336891466 444837010 /nfs/dbraw/zinc/83/70/10/444837010.db2.gz PYFSOFNJGPROQM-AYOQOUSVSA-N 2 2 344.459 1.029 20 0 EDADLP CCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000341479626 444852897 /nfs/dbraw/zinc/85/28/97/444852897.db2.gz YXTWQLGCNOVHTD-CQSZACIVSA-N 2 2 335.448 1.519 20 0 EDADLP Cc1c[nH+]c(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C ZINC000342795047 444870969 /nfs/dbraw/zinc/87/09/69/444870969.db2.gz VYDRSPXQNGUDDF-KRWDZBQOSA-N 2 2 344.459 1.286 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)C(C)(C)C ZINC000341568401 444898767 /nfs/dbraw/zinc/89/87/67/444898767.db2.gz NCORZVQMFCALMC-OAGGEKHMSA-N 2 2 340.512 1.467 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)C(C)(C)C ZINC000341568401 444898772 /nfs/dbraw/zinc/89/87/72/444898772.db2.gz NCORZVQMFCALMC-OAGGEKHMSA-N 2 2 340.512 1.467 20 0 EDADLP Cc1[nH+]ccn1CCN1[C@H](C)C[N@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC000337247844 445002778 /nfs/dbraw/zinc/00/27/78/445002778.db2.gz PETQLRBDPQFJHU-IYBDPMFKSA-N 3 2 330.480 1.791 20 0 EDADLP CO[C@@H](C)c1noc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000337263080 445007560 /nfs/dbraw/zinc/00/75/60/445007560.db2.gz ZKYQWULGKYNTIN-HNNXBMFYSA-N 2 2 339.484 1.625 20 0 EDADLP CO[C@@H](C)c1noc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000337263080 445007565 /nfs/dbraw/zinc/00/75/65/445007565.db2.gz ZKYQWULGKYNTIN-HNNXBMFYSA-N 2 2 339.484 1.625 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000339068231 445016851 /nfs/dbraw/zinc/01/68/51/445016851.db2.gz NDKDGATYJDTNOQ-AZUAARDMSA-N 4 2 343.519 1.810 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000339068231 445016858 /nfs/dbraw/zinc/01/68/58/445016858.db2.gz NDKDGATYJDTNOQ-AZUAARDMSA-N 4 2 343.519 1.810 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)CCc3c[nH+]cn3C)CCCC2)CC1 ZINC000339173887 445073553 /nfs/dbraw/zinc/07/35/53/445073553.db2.gz KQBYEHAEUASMSC-UHFFFAOYSA-N 2 2 348.491 1.893 20 0 EDADLP CCCCNc1cc(N(C)CC[NH+]2C[C@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000343113282 445074453 /nfs/dbraw/zinc/07/44/53/445074453.db2.gz YRYOEKDCVRRBHI-KBPBESRZSA-N 2 2 336.484 1.816 20 0 EDADLP COc1ccccc1[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC[NH2+]1 ZINC000337564645 445139458 /nfs/dbraw/zinc/13/94/58/445139458.db2.gz AMPARPXJCYMKKK-GDBMZVCRSA-N 2 2 349.500 1.605 20 0 EDADLP CC[C@@H](C(=O)NC1CC[NH+](CCOC)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339248182 445113839 /nfs/dbraw/zinc/11/38/39/445113839.db2.gz HSCCHWASFICZHG-SJORKVTESA-N 2 2 341.496 1.103 20 0 EDADLP CC[C@@H](C(=O)NC1CC[NH+](CCOC)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339248182 445113843 /nfs/dbraw/zinc/11/38/43/445113843.db2.gz HSCCHWASFICZHG-SJORKVTESA-N 2 2 341.496 1.103 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1 ZINC000342083003 445162741 /nfs/dbraw/zinc/16/27/41/445162741.db2.gz KDBVELPUMRCQJJ-JCURWCKSSA-N 2 2 333.432 1.702 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1 ZINC000342083003 445162744 /nfs/dbraw/zinc/16/27/44/445162744.db2.gz KDBVELPUMRCQJJ-JCURWCKSSA-N 2 2 333.432 1.702 20 0 EDADLP O=C(NCC[NH+]1CCC1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000337620714 445172558 /nfs/dbraw/zinc/17/25/58/445172558.db2.gz QYQKTNLMDWJHAG-AWEZNQCLSA-N 2 2 338.477 1.126 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C[C@H](C)O ZINC000345329609 445181049 /nfs/dbraw/zinc/18/10/49/445181049.db2.gz SFLRPLNIDBIZBD-GOEBONIOSA-N 2 2 349.479 1.206 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@H+]1C[C@H](C)O ZINC000345329609 445181053 /nfs/dbraw/zinc/18/10/53/445181053.db2.gz SFLRPLNIDBIZBD-GOEBONIOSA-N 2 2 349.479 1.206 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000343245774 445158730 /nfs/dbraw/zinc/15/87/30/445158730.db2.gz CMWSIEXQTNHCOP-HOTGVXAUSA-N 2 2 331.464 1.766 20 0 EDADLP 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20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000351626096 445247286 /nfs/dbraw/zinc/24/72/86/445247286.db2.gz DSNZQDNNFLAMPK-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)C1 ZINC000347856227 445251324 /nfs/dbraw/zinc/25/13/24/445251324.db2.gz WDYKZYKVFQCWOC-MAUKXSAKSA-N 2 2 325.460 2.485 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)C1 ZINC000347856227 445251328 /nfs/dbraw/zinc/25/13/28/445251328.db2.gz WDYKZYKVFQCWOC-MAUKXSAKSA-N 2 2 325.460 2.485 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[N@@H+]1C ZINC000343610581 445262697 /nfs/dbraw/zinc/26/26/97/445262697.db2.gz CXIZBWRMWHAZRV-HOCLYGCPSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[N@H+]1C ZINC000343610581 445262701 /nfs/dbraw/zinc/26/27/01/445262701.db2.gz CXIZBWRMWHAZRV-HOCLYGCPSA-N 2 2 331.464 1.964 20 0 EDADLP CCOC[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C 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Cc1nc(NCc2cccc(C(=O)NC[C@H](C)[NH+](C)C)c2)cc[nH+]1 ZINC000348604442 445336626 /nfs/dbraw/zinc/33/66/26/445336626.db2.gz YNVMOIRSXAMMLA-ZDUSSCGKSA-N 2 2 327.432 2.077 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000362404897 445362392 /nfs/dbraw/zinc/36/23/92/445362392.db2.gz CASZLRUJIZBYIZ-CVEARBPZSA-N 2 2 347.459 1.216 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000362404897 445362399 /nfs/dbraw/zinc/36/23/99/445362399.db2.gz CASZLRUJIZBYIZ-CVEARBPZSA-N 2 2 347.459 1.216 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000362404897 445362406 /nfs/dbraw/zinc/36/24/06/445362406.db2.gz CASZLRUJIZBYIZ-CVEARBPZSA-N 2 2 347.459 1.216 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000362404897 445362412 /nfs/dbraw/zinc/36/24/12/445362412.db2.gz CASZLRUJIZBYIZ-CVEARBPZSA-N 2 2 347.459 1.216 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000362486641 445407638 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1.413 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000354858086 445429163 /nfs/dbraw/zinc/42/91/63/445429163.db2.gz NNZZHYQCCOVSLS-DGCLKSJQSA-N 2 2 342.369 1.714 20 0 EDADLP Cc1cc(N(C)C[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)nc[nH+]1 ZINC000359710590 445387181 /nfs/dbraw/zinc/38/71/81/445387181.db2.gz DDTXQPLIXBEPBO-ZIAGYGMSSA-N 2 2 345.426 1.694 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cc1F ZINC000362450083 445388216 /nfs/dbraw/zinc/38/82/16/445388216.db2.gz UQGDXPRANFSIGZ-ZBFHGGJFSA-N 2 2 349.450 1.676 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1F ZINC000362450083 445388220 /nfs/dbraw/zinc/38/82/20/445388220.db2.gz UQGDXPRANFSIGZ-ZBFHGGJFSA-N 2 2 349.450 1.676 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000362547373 445433181 /nfs/dbraw/zinc/43/31/81/445433181.db2.gz IQGCNDOLPWYYFH-DOTOQJQBSA-N 2 2 326.444 1.788 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000362547373 445433184 /nfs/dbraw/zinc/43/31/84/445433184.db2.gz IQGCNDOLPWYYFH-DOTOQJQBSA-N 2 2 326.444 1.788 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(OC(F)F)cc1 ZINC000357109619 445434540 /nfs/dbraw/zinc/43/45/40/445434540.db2.gz WGEWRBATNLSKHP-VXGBXAGGSA-N 2 2 325.359 1.768 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(OC(F)F)cc1 ZINC000357109619 445434545 /nfs/dbraw/zinc/43/45/45/445434545.db2.gz WGEWRBATNLSKHP-VXGBXAGGSA-N 2 2 325.359 1.768 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000355062052 445441621 /nfs/dbraw/zinc/44/16/21/445441621.db2.gz RUWPPPPFXOZVBH-SJORKVTESA-N 2 2 341.459 1.966 20 0 EDADLP CC1=CC[NH+](CCNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000355333234 445455803 /nfs/dbraw/zinc/45/58/03/445455803.db2.gz KMXSXDJXPWRLBC-FGTMMUONSA-N 2 2 337.508 1.888 20 0 EDADLP CC1=CC[NH+](CCNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000355333234 445455808 /nfs/dbraw/zinc/45/58/08/445455808.db2.gz KMXSXDJXPWRLBC-FGTMMUONSA-N 2 2 337.508 1.888 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000355333234 445455810 /nfs/dbraw/zinc/45/58/10/445455810.db2.gz KMXSXDJXPWRLBC-FGTMMUONSA-N 2 2 337.508 1.888 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000355333234 445455814 /nfs/dbraw/zinc/45/58/14/445455814.db2.gz KMXSXDJXPWRLBC-FGTMMUONSA-N 2 2 337.508 1.888 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000352060790 445465459 /nfs/dbraw/zinc/46/54/59/445465459.db2.gz VJLNHMHFUQZRKA-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000359879370 445471590 /nfs/dbraw/zinc/47/15/90/445471590.db2.gz RUJZJJOVHXDHJA-HNNXBMFYSA-N 2 2 345.447 1.069 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn(C)c(=O)n(C)c1=O ZINC000359879370 445471594 /nfs/dbraw/zinc/47/15/94/445471594.db2.gz RUJZJJOVHXDHJA-HNNXBMFYSA-N 2 2 345.447 1.069 20 0 EDADLP COC1(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCCCC1 ZINC000359974234 445510459 /nfs/dbraw/zinc/51/04/59/445510459.db2.gz FSRLDWCIXNBVTD-UHFFFAOYSA-N 2 2 347.507 1.928 20 0 EDADLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000357277185 445520987 /nfs/dbraw/zinc/52/09/87/445520987.db2.gz XHYXGRGECZWKJC-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000357277185 445520989 /nfs/dbraw/zinc/52/09/89/445520989.db2.gz XHYXGRGECZWKJC-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000362666958 445488237 /nfs/dbraw/zinc/48/82/37/445488237.db2.gz QSVSTGSLHANMHW-OAHLLOKOSA-N 2 2 333.432 1.100 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000362666958 445488240 /nfs/dbraw/zinc/48/82/40/445488240.db2.gz QSVSTGSLHANMHW-OAHLLOKOSA-N 2 2 333.432 1.100 20 0 EDADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000362682765 445498376 /nfs/dbraw/zinc/49/83/76/445498376.db2.gz GJUMTJJOBHGAJH-MRXNPFEDSA-N 2 2 347.459 1.408 20 0 EDADLP COc1cc(C)c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000362682765 445498378 /nfs/dbraw/zinc/49/83/78/445498378.db2.gz GJUMTJJOBHGAJH-MRXNPFEDSA-N 2 2 347.459 1.408 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)s1 ZINC000357241216 445501723 /nfs/dbraw/zinc/50/17/23/445501723.db2.gz MYYHPOCXYNMQOP-AWEZNQCLSA-N 2 2 337.489 1.333 20 0 EDADLP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3cscn3)CC2)CC1 ZINC000362821942 445565464 /nfs/dbraw/zinc/56/54/64/445565464.db2.gz BWPYTKNDFBQGKT-UHFFFAOYSA-N 2 2 336.505 1.956 20 0 EDADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836041 445573428 /nfs/dbraw/zinc/57/34/28/445573428.db2.gz CWAJYWYFLDWTLI-HNNXBMFYSA-N 2 2 339.443 1.334 20 0 EDADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362836041 445573429 /nfs/dbraw/zinc/57/34/29/445573429.db2.gz CWAJYWYFLDWTLI-HNNXBMFYSA-N 2 2 339.443 1.334 20 0 EDADLP C[C@@H]1CSC[C@H]1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000357756319 445580197 /nfs/dbraw/zinc/58/01/97/445580197.db2.gz KZUGDKSBJLEZBO-IIAWOOMASA-N 2 2 340.537 1.548 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)no1 ZINC000360213410 445632154 /nfs/dbraw/zinc/63/21/54/445632154.db2.gz OMADYZOQOINTBQ-INIZCTEOSA-N 2 2 334.395 1.908 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000356126114 445635705 /nfs/dbraw/zinc/63/57/05/445635705.db2.gz SUDTUFKTQYSKDX-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000356126114 445635709 /nfs/dbraw/zinc/63/57/09/445635709.db2.gz SUDTUFKTQYSKDX-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CCO[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000349701187 445649794 /nfs/dbraw/zinc/64/97/94/445649794.db2.gz KGSXBUBFVGXUGO-QGZVFWFLSA-N 2 2 327.513 1.922 20 0 EDADLP CCO[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000349701187 445649795 /nfs/dbraw/zinc/64/97/95/445649795.db2.gz KGSXBUBFVGXUGO-QGZVFWFLSA-N 2 2 327.513 1.922 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc(Br)cn3)C2)CC1 ZINC000363031365 445655548 /nfs/dbraw/zinc/65/55/48/445655548.db2.gz GSVUAXUPJSEAAC-GFCCVEGCSA-N 2 2 340.269 1.820 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc(Br)cn3)C2)CC1 ZINC000363031365 445655551 /nfs/dbraw/zinc/65/55/51/445655551.db2.gz GSVUAXUPJSEAAC-GFCCVEGCSA-N 2 2 340.269 1.820 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000356158590 445654282 /nfs/dbraw/zinc/65/42/82/445654282.db2.gz ASKXALWQCMRVMF-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000353614515 445677578 /nfs/dbraw/zinc/67/75/78/445677578.db2.gz XVUJIMIPYUPEKD-UHFFFAOYSA-N 2 2 327.432 1.201 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000353614515 445677584 /nfs/dbraw/zinc/67/75/84/445677584.db2.gz XVUJIMIPYUPEKD-UHFFFAOYSA-N 2 2 327.432 1.201 20 0 EDADLP CCc1nc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N3CC[NH+](CC)CC3)C2)no1 ZINC000363107247 445680886 /nfs/dbraw/zinc/68/08/86/445680886.db2.gz DQTALJHZFPPYER-CABCVRRESA-N 2 2 349.479 1.364 20 0 EDADLP CCc1nc([C@H]2CCC[N@H+]([C@H](C)C(=O)N3CC[NH+](CC)CC3)C2)no1 ZINC000363107247 445680890 /nfs/dbraw/zinc/68/08/90/445680890.db2.gz DQTALJHZFPPYER-CABCVRRESA-N 2 2 349.479 1.364 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000358663404 445701066 /nfs/dbraw/zinc/70/10/66/445701066.db2.gz KIASPJKNRSSVKN-IAGOWNOFSA-N 2 2 336.480 1.001 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000358663404 445701069 /nfs/dbraw/zinc/70/10/69/445701069.db2.gz KIASPJKNRSSVKN-IAGOWNOFSA-N 2 2 336.480 1.001 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000358667534 445703660 /nfs/dbraw/zinc/70/36/60/445703660.db2.gz PISOAYQNJMCGQZ-KRWDZBQOSA-N 2 2 336.480 1.145 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000358667534 445703663 /nfs/dbraw/zinc/70/36/63/445703663.db2.gz PISOAYQNJMCGQZ-KRWDZBQOSA-N 2 2 336.480 1.145 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000363176646 445708326 /nfs/dbraw/zinc/70/83/26/445708326.db2.gz LCZFJLFBLZDPKD-YJBOKZPZSA-N 2 2 330.480 1.943 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000363176646 445708328 /nfs/dbraw/zinc/70/83/28/445708328.db2.gz LCZFJLFBLZDPKD-YJBOKZPZSA-N 2 2 330.480 1.943 20 0 EDADLP CCOC(=O)COc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000356272401 445711325 /nfs/dbraw/zinc/71/13/25/445711325.db2.gz CCUVSSPDZMMUJW-AWEZNQCLSA-N 2 2 329.400 1.999 20 0 EDADLP CCOC(=O)COc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000356272401 445711329 /nfs/dbraw/zinc/71/13/29/445711329.db2.gz CCUVSSPDZMMUJW-AWEZNQCLSA-N 2 2 329.400 1.999 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000353760715 445742605 /nfs/dbraw/zinc/74/26/05/445742605.db2.gz RVUNXERHPHGRRH-INIZCTEOSA-N 2 2 342.443 1.772 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000356348079 445745768 /nfs/dbraw/zinc/74/57/68/445745768.db2.gz GLPBWVROGVXOCN-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000356348079 445745773 /nfs/dbraw/zinc/74/57/73/445745773.db2.gz GLPBWVROGVXOCN-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP COC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358864634 445818642 /nfs/dbraw/zinc/81/86/42/445818642.db2.gz MBDJALXIZUVJGH-KKUMJFAQSA-N 2 2 328.453 1.138 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356425752 445783626 /nfs/dbraw/zinc/78/36/26/445783626.db2.gz VUWGQZWPRIXELX-KBPBESRZSA-N 2 2 336.480 1.626 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000363410019 445793086 /nfs/dbraw/zinc/79/30/86/445793086.db2.gz BPFZFKRVXKQTGN-JKSUJKDBSA-N 2 2 331.464 1.360 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000363410019 445793089 /nfs/dbraw/zinc/79/30/89/445793089.db2.gz BPFZFKRVXKQTGN-JKSUJKDBSA-N 2 2 331.464 1.360 20 0 EDADLP CC(C)(C)[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000361541412 445810922 /nfs/dbraw/zinc/81/09/22/445810922.db2.gz OXPULPFNYKXJDB-INIZCTEOSA-N 2 2 339.524 1.972 20 0 EDADLP CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000361541412 445810925 /nfs/dbraw/zinc/81/09/25/445810925.db2.gz OXPULPFNYKXJDB-INIZCTEOSA-N 2 2 339.524 1.972 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCCOc3ccc(F)cc3)CC[C@H]21 ZINC000361687820 445877816 /nfs/dbraw/zinc/87/78/16/445877816.db2.gz QSNLJOPWPTXRIK-MAUKXSAKSA-N 2 2 349.450 1.737 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCCOc3ccc(F)cc3)CC[C@H]21 ZINC000361687820 445877821 /nfs/dbraw/zinc/87/78/21/445877821.db2.gz QSNLJOPWPTXRIK-MAUKXSAKSA-N 2 2 349.450 1.737 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCCOc3ccc(F)cc3)CC[C@H]21 ZINC000361687820 445877826 /nfs/dbraw/zinc/87/78/26/445877826.db2.gz QSNLJOPWPTXRIK-MAUKXSAKSA-N 2 2 349.450 1.737 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCCOc3ccc(F)cc3)CC[C@H]21 ZINC000361687820 445877829 /nfs/dbraw/zinc/87/78/29/445877829.db2.gz QSNLJOPWPTXRIK-MAUKXSAKSA-N 2 2 349.450 1.737 20 0 EDADLP C[C@H](NC(=O)N1CCC(C[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000356530086 445844226 /nfs/dbraw/zinc/84/42/26/445844226.db2.gz BFVODFUCZOUPBZ-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP CC[C@@]1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000363535696 445847912 /nfs/dbraw/zinc/84/79/12/445847912.db2.gz UJDRRVFWIASGBE-IEBWSBKVSA-N 2 2 331.460 1.254 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](O)Cc2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000356640012 445904282 /nfs/dbraw/zinc/90/42/82/445904282.db2.gz WURMOXGTXKLISZ-VQIMIIECSA-N 2 2 345.487 1.217 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](O)Cc2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000356640012 445904289 /nfs/dbraw/zinc/90/42/89/445904289.db2.gz WURMOXGTXKLISZ-VQIMIIECSA-N 2 2 345.487 1.217 20 0 EDADLP CSc1ccc(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000361754455 445917429 /nfs/dbraw/zinc/91/74/29/445917429.db2.gz GPJCFWGCRCZFLW-KRWDZBQOSA-N 2 2 335.517 1.857 20 0 EDADLP CSc1ccc(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000361754455 445917434 /nfs/dbraw/zinc/91/74/34/445917434.db2.gz GPJCFWGCRCZFLW-KRWDZBQOSA-N 2 2 335.517 1.857 20 0 EDADLP CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000361762942 445923235 /nfs/dbraw/zinc/92/32/35/445923235.db2.gz FSXKZQAICZJXIC-BRWVUGGUSA-N 2 2 346.475 1.666 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[NH+](CCc3ccccc3)CC2)nc[nH+]1 ZINC000354170822 445966189 /nfs/dbraw/zinc/96/61/89/445966189.db2.gz WAIUJGVTGFUBKO-INIZCTEOSA-N 2 2 341.459 1.634 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000365040614 445988324 /nfs/dbraw/zinc/98/83/24/445988324.db2.gz JGDPLTUNHHEZHU-KRWDZBQOSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000365040614 445988331 /nfs/dbraw/zinc/98/83/31/445988331.db2.gz JGDPLTUNHHEZHU-KRWDZBQOSA-N 2 2 338.540 1.783 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000582685335 325903235 /nfs/dbraw/zinc/90/32/35/325903235.db2.gz RUVBZSYXEVJWAZ-MRXNPFEDSA-N 2 2 332.404 1.261 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCC[NH+]1CCOCC1 ZINC000372972529 445951469 /nfs/dbraw/zinc/95/14/69/445951469.db2.gz CGQHNSBXDCDARB-UHFFFAOYSA-N 2 2 335.452 1.083 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000369257373 446026059 /nfs/dbraw/zinc/02/60/59/446026059.db2.gz IIVQUJPQYGMFIV-ZDUSSCGKSA-N 2 2 344.467 1.677 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000369257373 446026062 /nfs/dbraw/zinc/02/60/62/446026062.db2.gz IIVQUJPQYGMFIV-ZDUSSCGKSA-N 2 2 344.467 1.677 20 0 EDADLP CC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)c1 ZINC000369274517 446039527 /nfs/dbraw/zinc/03/95/27/446039527.db2.gz PVNYPDHGYSFMSO-HNNXBMFYSA-N 2 2 332.448 1.126 20 0 EDADLP CC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)c1 ZINC000369274517 446039535 /nfs/dbraw/zinc/03/95/35/446039535.db2.gz PVNYPDHGYSFMSO-HNNXBMFYSA-N 2 2 332.448 1.126 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000366080174 446000141 /nfs/dbraw/zinc/00/01/41/446000141.db2.gz DWIPAGCRBSZVJM-KRWDZBQOSA-N 2 2 348.491 1.643 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000373131214 446048817 /nfs/dbraw/zinc/04/88/17/446048817.db2.gz CFMFYVDFVFSXAN-MRXNPFEDSA-N 2 2 336.480 1.121 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]([NH3+])c2cscn2)C[C@@H](C)O1 ZINC000583086207 325998263 /nfs/dbraw/zinc/99/82/63/325998263.db2.gz DUMVSIIPFANQLN-YRGRVCCFSA-N 2 2 326.466 1.149 20 0 EDADLP CCc1c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cnn1C(CC)CC ZINC000583191815 326022172 /nfs/dbraw/zinc/02/21/72/326022172.db2.gz HNQFCFBZWYLGGY-AWEZNQCLSA-N 2 2 336.484 1.913 20 0 EDADLP CCc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cnn1C(CC)CC ZINC000583191815 326022174 /nfs/dbraw/zinc/02/21/74/326022174.db2.gz HNQFCFBZWYLGGY-AWEZNQCLSA-N 2 2 336.484 1.913 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000583388535 326064116 /nfs/dbraw/zinc/06/41/16/326064116.db2.gz MJINEDUKHXNQFZ-TZMCWYRMSA-N 2 2 333.329 1.810 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000583388535 326064119 /nfs/dbraw/zinc/06/41/19/326064119.db2.gz MJINEDUKHXNQFZ-TZMCWYRMSA-N 2 2 333.329 1.810 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2SCCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000583614217 326104616 /nfs/dbraw/zinc/10/46/16/326104616.db2.gz JRMIOFVLQRQUNO-HOCLYGCPSA-N 2 2 334.489 1.301 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2SCCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000583614217 326104617 /nfs/dbraw/zinc/10/46/17/326104617.db2.gz JRMIOFVLQRQUNO-HOCLYGCPSA-N 2 2 334.489 1.301 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2Cc3ccccc3[C@H](n3cccn3)C2)CC1 ZINC000373153517 446061482 /nfs/dbraw/zinc/06/14/82/446061482.db2.gz QGOCGNPKCNORRD-GOSISDBHSA-N 2 2 339.443 1.062 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2Cc3ccccc3[C@H](n3cccn3)C2)CC1 ZINC000373153517 446061487 /nfs/dbraw/zinc/06/14/87/446061487.db2.gz QGOCGNPKCNORRD-GOSISDBHSA-N 2 2 339.443 1.062 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CCN(c3cccc[nH+]3)CC1)C2 ZINC000584142116 326206754 /nfs/dbraw/zinc/20/67/54/326206754.db2.gz HJTWHQHSJDLKNN-OAHLLOKOSA-N 2 2 339.443 1.934 20 0 EDADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351441016 446065814 /nfs/dbraw/zinc/06/58/14/446065814.db2.gz JMDQFFLBBZKARY-YOEHRIQHSA-N 2 2 325.497 1.314 20 0 EDADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351441016 446065821 /nfs/dbraw/zinc/06/58/21/446065821.db2.gz JMDQFFLBBZKARY-YOEHRIQHSA-N 2 2 325.497 1.314 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000354277153 446075057 /nfs/dbraw/zinc/07/50/57/446075057.db2.gz ZEYDMWKPIUMKQI-MSOLQXFVSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000354277153 446075061 /nfs/dbraw/zinc/07/50/61/446075061.db2.gz ZEYDMWKPIUMKQI-MSOLQXFVSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354277153 446075063 /nfs/dbraw/zinc/07/50/63/446075063.db2.gz ZEYDMWKPIUMKQI-MSOLQXFVSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354277153 446075066 /nfs/dbraw/zinc/07/50/66/446075066.db2.gz ZEYDMWKPIUMKQI-MSOLQXFVSA-N 2 2 337.508 1.868 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1OC ZINC000351474785 446075462 /nfs/dbraw/zinc/07/54/62/446075462.db2.gz GUDPKWMSJOHHLU-YUTCNCBUSA-N 2 2 349.431 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1OC ZINC000351474785 446075470 /nfs/dbraw/zinc/07/54/70/446075470.db2.gz GUDPKWMSJOHHLU-YUTCNCBUSA-N 2 2 349.431 1.320 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000356873821 446086145 /nfs/dbraw/zinc/08/61/45/446086145.db2.gz KPBDJKYVSALLAC-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000356873821 446086153 /nfs/dbraw/zinc/08/61/53/446086153.db2.gz KPBDJKYVSALLAC-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCOC1 ZINC000356879421 446090256 /nfs/dbraw/zinc/09/02/56/446090256.db2.gz TTXMVUAPJRQGGM-DLBZAZTESA-N 2 2 333.480 1.393 20 0 EDADLP COCCN(C(C)=O)c1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000351491851 446092914 /nfs/dbraw/zinc/09/29/14/446092914.db2.gz KFPAQWRMXSGYPF-NWANDNLSSA-N 2 2 338.477 1.312 20 0 EDADLP COCCN(C(C)=O)c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000351491851 446092918 /nfs/dbraw/zinc/09/29/18/446092918.db2.gz KFPAQWRMXSGYPF-NWANDNLSSA-N 2 2 338.477 1.312 20 0 EDADLP COc1cc(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)ccc1C ZINC000373200926 446093618 /nfs/dbraw/zinc/09/36/18/446093618.db2.gz ASSXTKVZJOTIJT-SFHVURJKSA-N 2 2 333.476 1.452 20 0 EDADLP COc1cc(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)ccc1C ZINC000373200926 446093623 /nfs/dbraw/zinc/09/36/23/446093623.db2.gz ASSXTKVZJOTIJT-SFHVURJKSA-N 2 2 333.476 1.452 20 0 EDADLP CN(C[C@H]1CCCOC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369363389 446103711 /nfs/dbraw/zinc/10/37/11/446103711.db2.gz KYGRXUPLPKRGPA-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C[C@H]1CCCOC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369363389 446103717 /nfs/dbraw/zinc/10/37/17/446103717.db2.gz KYGRXUPLPKRGPA-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)CC1 ZINC000365258713 446107176 /nfs/dbraw/zinc/10/71/76/446107176.db2.gz HLGVIJXPXVLPTO-BQFCYCMXSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)CC1 ZINC000365258713 446107180 /nfs/dbraw/zinc/10/71/80/446107180.db2.gz HLGVIJXPXVLPTO-BQFCYCMXSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258713 446107185 /nfs/dbraw/zinc/10/71/85/446107185.db2.gz HLGVIJXPXVLPTO-BQFCYCMXSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258713 446107191 /nfs/dbraw/zinc/10/71/91/446107191.db2.gz HLGVIJXPXVLPTO-BQFCYCMXSA-N 3 2 349.523 1.081 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000359272445 446109320 /nfs/dbraw/zinc/10/93/20/446109320.db2.gz MNAHZEHKXUVNCQ-GJZGRUSLSA-N 2 2 349.479 1.032 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000359272445 446109327 /nfs/dbraw/zinc/10/93/27/446109327.db2.gz MNAHZEHKXUVNCQ-GJZGRUSLSA-N 2 2 349.479 1.032 20 0 EDADLP CCC(CC)[C@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369369243 446110039 /nfs/dbraw/zinc/11/00/39/446110039.db2.gz FQBXFXWCQCYBSW-NVXWUHKLSA-N 2 2 340.512 1.251 20 0 EDADLP CCC(CC)[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369369243 446110042 /nfs/dbraw/zinc/11/00/42/446110042.db2.gz FQBXFXWCQCYBSW-NVXWUHKLSA-N 2 2 340.512 1.251 20 0 EDADLP COCCN(CC(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372642 446111731 /nfs/dbraw/zinc/11/17/31/446111731.db2.gz KPFBGYMMLIMTSZ-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP COCCN(CC(C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372642 446111736 /nfs/dbraw/zinc/11/17/36/446111736.db2.gz KPFBGYMMLIMTSZ-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](c1cccnc1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369375086 446113866 /nfs/dbraw/zinc/11/38/66/446113866.db2.gz VTWYZCPRJBPMHC-RDJZCZTQSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](c1cccnc1)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369375086 446113871 /nfs/dbraw/zinc/11/38/71/446113871.db2.gz VTWYZCPRJBPMHC-RDJZCZTQSA-N 2 2 345.491 1.953 20 0 EDADLP CC(C)(CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCCCC1 ZINC000366264688 446114338 /nfs/dbraw/zinc/11/43/38/446114338.db2.gz PFPXTBLLHQZJKJ-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCCCC1 ZINC000366264688 446114342 /nfs/dbraw/zinc/11/43/42/446114342.db2.gz PFPXTBLLHQZJKJ-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369410463 446119109 /nfs/dbraw/zinc/11/91/09/446119109.db2.gz DJFJQKCOELGSNF-GJZGRUSLSA-N 2 2 332.448 1.134 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369410463 446119110 /nfs/dbraw/zinc/11/91/10/446119110.db2.gz DJFJQKCOELGSNF-GJZGRUSLSA-N 2 2 332.448 1.134 20 0 EDADLP C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)C(C)(C)C[NH+](C)C ZINC000366279481 446125507 /nfs/dbraw/zinc/12/55/07/446125507.db2.gz HQTAPLRLWVAGSV-HIFRSBDPSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)C(C)(C)C[NH+](C)C ZINC000366279481 446125510 /nfs/dbraw/zinc/12/55/10/446125510.db2.gz HQTAPLRLWVAGSV-HIFRSBDPSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000365348931 446163341 /nfs/dbraw/zinc/16/33/41/446163341.db2.gz MITOHPJHZXWTRO-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000365348931 446163349 /nfs/dbraw/zinc/16/33/49/446163349.db2.gz MITOHPJHZXWTRO-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP COc1c(O)cccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000354382107 446164840 /nfs/dbraw/zinc/16/48/40/446164840.db2.gz JNBOMINWSHOTBA-GOSISDBHSA-N 2 2 342.439 1.910 20 0 EDADLP COc1c(O)cccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000354382107 446164842 /nfs/dbraw/zinc/16/48/42/446164842.db2.gz JNBOMINWSHOTBA-GOSISDBHSA-N 2 2 342.439 1.910 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000365366278 446170685 /nfs/dbraw/zinc/17/06/85/446170685.db2.gz RGYOSDFJUOPXDF-UONOGXRCSA-N 2 2 331.464 1.986 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000359373029 446181216 /nfs/dbraw/zinc/18/12/16/446181216.db2.gz JEQLYZGDKRVGCB-UHFFFAOYSA-N 2 2 345.447 1.587 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@H](F)C[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000351588806 446186050 /nfs/dbraw/zinc/18/60/50/446186050.db2.gz XLDJADJKENZIHP-CABCVRRESA-N 2 2 340.443 1.660 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@H](F)C[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000351588806 446186054 /nfs/dbraw/zinc/18/60/54/446186054.db2.gz XLDJADJKENZIHP-CABCVRRESA-N 2 2 340.443 1.660 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC000351588806 446186059 /nfs/dbraw/zinc/18/60/59/446186059.db2.gz XLDJADJKENZIHP-CABCVRRESA-N 2 2 340.443 1.660 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC000351588806 446186066 /nfs/dbraw/zinc/18/60/66/446186066.db2.gz XLDJADJKENZIHP-CABCVRRESA-N 2 2 340.443 1.660 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365402233 446189258 /nfs/dbraw/zinc/18/92/58/446189258.db2.gz JPDHIXRKLBXCPO-UHFFFAOYSA-N 2 2 331.464 1.964 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C ZINC000354359934 446142092 /nfs/dbraw/zinc/14/20/92/446142092.db2.gz AMNALSODPVWHGD-ARFHVFGLSA-N 2 2 348.495 1.291 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000351616780 446210652 /nfs/dbraw/zinc/21/06/52/446210652.db2.gz VRUJIDYHRPNUML-SFHVURJKSA-N 2 2 336.524 1.491 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000351616780 446210656 /nfs/dbraw/zinc/21/06/56/446210656.db2.gz VRUJIDYHRPNUML-SFHVURJKSA-N 2 2 336.524 1.491 20 0 EDADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000351616780 446210662 /nfs/dbraw/zinc/21/06/62/446210662.db2.gz VRUJIDYHRPNUML-SFHVURJKSA-N 2 2 336.524 1.491 20 0 EDADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000351616780 446210668 /nfs/dbraw/zinc/21/06/68/446210668.db2.gz VRUJIDYHRPNUML-SFHVURJKSA-N 2 2 336.524 1.491 20 0 EDADLP Cc1cc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)on1 ZINC000351622831 446216313 /nfs/dbraw/zinc/21/63/13/446216313.db2.gz SSNSPJVZWNCIMQ-KGLIPLIRSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1cc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)on1 ZINC000351622831 446216318 /nfs/dbraw/zinc/21/63/18/446216318.db2.gz SSNSPJVZWNCIMQ-KGLIPLIRSA-N 2 2 348.426 1.888 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000365458209 446216303 /nfs/dbraw/zinc/21/63/03/446216303.db2.gz DGWWQUNSMPPOBY-ZACQAIPSSA-N 2 2 345.491 1.891 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000365458209 446216314 /nfs/dbraw/zinc/21/63/14/446216314.db2.gz DGWWQUNSMPPOBY-ZACQAIPSSA-N 2 2 345.491 1.891 20 0 EDADLP CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CCOC ZINC000366444878 446218414 /nfs/dbraw/zinc/21/84/14/446218414.db2.gz WUDOMXZOYOZTGA-JKSUJKDBSA-N 2 2 349.479 1.513 20 0 EDADLP CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@H+]1CCOC ZINC000366444878 446218420 /nfs/dbraw/zinc/21/84/20/446218420.db2.gz WUDOMXZOYOZTGA-JKSUJKDBSA-N 2 2 349.479 1.513 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000370294527 446218663 /nfs/dbraw/zinc/21/86/63/446218663.db2.gz QAJXHPFKKQTFNZ-UHFFFAOYSA-N 3 2 345.491 1.146 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000370294527 446218670 /nfs/dbraw/zinc/21/86/70/446218670.db2.gz QAJXHPFKKQTFNZ-UHFFFAOYSA-N 3 2 345.491 1.146 20 0 EDADLP Cn1ncc2c1nc(NC1CC[NH+](CC3CCCCC3)CC1)[nH+]c2N ZINC000365461390 446219170 /nfs/dbraw/zinc/21/91/70/446219170.db2.gz OPQMKDPAZBTJFA-UHFFFAOYSA-N 2 2 343.479 2.402 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3cc(F)c(F)cc32)CC1 ZINC000362127683 446226787 /nfs/dbraw/zinc/22/67/87/446226787.db2.gz BKVHOHAZSGCSDE-UHFFFAOYSA-N 2 2 335.402 2.346 20 0 EDADLP CO[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000373504563 446240825 /nfs/dbraw/zinc/24/08/25/446240825.db2.gz MAYIHZKDJPMBOH-SJORKVTESA-N 2 2 340.512 1.467 20 0 EDADLP CO[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000373504563 446240828 /nfs/dbraw/zinc/24/08/28/446240828.db2.gz MAYIHZKDJPMBOH-SJORKVTESA-N 2 2 340.512 1.467 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21 ZINC000365549139 446249898 /nfs/dbraw/zinc/24/98/98/446249898.db2.gz HADHTADWBBJYNZ-LJQANCHMSA-N 2 2 342.443 1.937 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000366581338 446267667 /nfs/dbraw/zinc/26/76/67/446267667.db2.gz MQJLMKHIIMLDNG-CVEARBPZSA-N 2 2 349.479 1.860 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000366581338 446267669 /nfs/dbraw/zinc/26/76/69/446267669.db2.gz MQJLMKHIIMLDNG-CVEARBPZSA-N 2 2 349.479 1.860 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncn(C(C)(C)C)n1 ZINC000362232029 446276368 /nfs/dbraw/zinc/27/63/68/446276368.db2.gz YHWKNSZMSMBZGT-UHFFFAOYSA-N 2 2 336.484 1.131 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncn(C(C)(C)C)n1 ZINC000362232029 446276372 /nfs/dbraw/zinc/27/63/72/446276372.db2.gz YHWKNSZMSMBZGT-UHFFFAOYSA-N 2 2 336.484 1.131 20 0 EDADLP Cc1nc(N(C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)cc[nH+]1 ZINC000373706954 446308679 /nfs/dbraw/zinc/30/86/79/446308679.db2.gz QJKBGQHSWCGOQL-KBPBESRZSA-N 2 2 345.426 1.694 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000417828198 446374390 /nfs/dbraw/zinc/37/43/90/446374390.db2.gz OLHHSXPKYBHUAJ-RDBSUJKOSA-N 2 2 340.493 1.465 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370652787 446375226 /nfs/dbraw/zinc/37/52/26/446375226.db2.gz IRUNOAKPBVEDGR-SMLCLMEVSA-N 2 2 325.497 1.769 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370652787 446375230 /nfs/dbraw/zinc/37/52/30/446375230.db2.gz IRUNOAKPBVEDGR-SMLCLMEVSA-N 2 2 325.497 1.769 20 0 EDADLP Cc1cc(C[C@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000370715685 446400128 /nfs/dbraw/zinc/40/01/28/446400128.db2.gz VWUSZGJMRHFASD-ZFWWWQNUSA-N 2 2 348.495 1.117 20 0 EDADLP Cc1cc(C[C@H](C)NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000370715685 446400130 /nfs/dbraw/zinc/40/01/30/446400130.db2.gz VWUSZGJMRHFASD-ZFWWWQNUSA-N 2 2 348.495 1.117 20 0 EDADLP Cc1cc(C[C@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000370715685 446400133 /nfs/dbraw/zinc/40/01/33/446400133.db2.gz VWUSZGJMRHFASD-ZFWWWQNUSA-N 2 2 348.495 1.117 20 0 EDADLP Cc1cc(C[C@H](C)NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000370715685 446400135 /nfs/dbraw/zinc/40/01/35/446400135.db2.gz VWUSZGJMRHFASD-ZFWWWQNUSA-N 2 2 348.495 1.117 20 0 EDADLP Cn1cc([C@H](O)C[NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000370683160 446385371 /nfs/dbraw/zinc/38/53/71/446385371.db2.gz VAMMLVYWPARXJW-GOSISDBHSA-N 2 2 332.423 1.847 20 0 EDADLP CCn1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000417939604 446393425 /nfs/dbraw/zinc/39/34/25/446393425.db2.gz KFGMKBTTYJGMQV-PKOBYXMFSA-N 2 2 328.460 1.876 20 0 EDADLP CCn1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000417939604 446393432 /nfs/dbraw/zinc/39/34/32/446393432.db2.gz KFGMKBTTYJGMQV-PKOBYXMFSA-N 2 2 328.460 1.876 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000420255566 446434648 /nfs/dbraw/zinc/43/46/48/446434648.db2.gz HSQNBFQVCCBDFI-BZUAXINKSA-N 2 2 333.480 1.862 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000420255566 446434659 /nfs/dbraw/zinc/43/46/59/446434659.db2.gz HSQNBFQVCCBDFI-BZUAXINKSA-N 2 2 333.480 1.862 20 0 EDADLP CC(C)[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C(C)C ZINC000376319051 446426661 /nfs/dbraw/zinc/42/66/61/446426661.db2.gz NLFGZMXJIFFQPG-QGZVFWFLSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)[NH+](CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C(C)C ZINC000376319051 446426665 /nfs/dbraw/zinc/42/66/65/446426665.db2.gz NLFGZMXJIFFQPG-QGZVFWFLSA-N 2 2 325.497 1.722 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000420300042 446461581 /nfs/dbraw/zinc/46/15/81/446461581.db2.gz GYMSVRXPQHSTCU-PKOBYXMFSA-N 2 2 339.439 1.650 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000420300042 446461590 /nfs/dbraw/zinc/46/15/90/446461590.db2.gz GYMSVRXPQHSTCU-PKOBYXMFSA-N 2 2 339.439 1.650 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420304506 446467904 /nfs/dbraw/zinc/46/79/04/446467904.db2.gz JBBFXEQAJKKQAD-AUUYWEPGSA-N 2 2 345.443 1.163 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420304506 446467912 /nfs/dbraw/zinc/46/79/12/446467912.db2.gz JBBFXEQAJKKQAD-AUUYWEPGSA-N 2 2 345.443 1.163 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420307308 446470335 /nfs/dbraw/zinc/47/03/35/446470335.db2.gz LUHOXKFXWVNLLU-CQSZACIVSA-N 2 2 342.365 1.497 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420307308 446470338 /nfs/dbraw/zinc/47/03/38/446470338.db2.gz LUHOXKFXWVNLLU-CQSZACIVSA-N 2 2 342.365 1.497 20 0 EDADLP CC[C@@]1(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370847732 446478883 /nfs/dbraw/zinc/47/88/83/446478883.db2.gz UENOIBVVGPXPRN-AZUAARDMSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)[nH+]1 ZINC000411301944 446479030 /nfs/dbraw/zinc/47/90/30/446479030.db2.gz OJNDYBBVDFBBIG-NHYWBVRUSA-N 2 2 330.432 1.544 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)[nH+]1 ZINC000411301944 446479031 /nfs/dbraw/zinc/47/90/31/446479031.db2.gz OJNDYBBVDFBBIG-NHYWBVRUSA-N 2 2 330.432 1.544 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000423319408 446488085 /nfs/dbraw/zinc/48/80/85/446488085.db2.gz FEXRWOUWACQZSN-NEWSRXKRSA-N 2 2 345.487 1.873 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1)N1CC[NH+](C)CC1 ZINC000370897309 446504501 /nfs/dbraw/zinc/50/45/01/446504501.db2.gz GPLIIOTZDVWUQP-INIZCTEOSA-N 2 2 345.491 1.145 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000423388642 446514108 /nfs/dbraw/zinc/51/41/08/446514108.db2.gz NAZIBZJXWQSNKN-IUODEOHRSA-N 2 2 325.478 1.763 20 0 EDADLP COCC1(CNC(=O)C[N@@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000367069417 446500561 /nfs/dbraw/zinc/50/05/61/446500561.db2.gz WAWOJLMFDYLIHT-UHFFFAOYSA-N 2 2 337.489 1.239 20 0 EDADLP COCC1(CNC(=O)C[N@H+]2CCc3sccc3C2)CC[NH2+]CC1 ZINC000367069417 446500569 /nfs/dbraw/zinc/50/05/69/446500569.db2.gz WAWOJLMFDYLIHT-UHFFFAOYSA-N 2 2 337.489 1.239 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H](C)C[NH3+] ZINC000418477694 446558093 /nfs/dbraw/zinc/55/80/93/446558093.db2.gz VUAGLDXMBXCSCU-SWHYSGLUSA-N 2 2 341.431 1.098 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@H](C)C[NH3+] ZINC000418477694 446558096 /nfs/dbraw/zinc/55/80/96/446558096.db2.gz VUAGLDXMBXCSCU-SWHYSGLUSA-N 2 2 341.431 1.098 20 0 EDADLP CCC[NH2+]CCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418480182 446560085 /nfs/dbraw/zinc/56/00/85/446560085.db2.gz QNITVNISBJMXEK-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP CCC[NH2+]CCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418480182 446560093 /nfs/dbraw/zinc/56/00/93/446560093.db2.gz QNITVNISBJMXEK-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)cc1Cl ZINC000420349141 446525417 /nfs/dbraw/zinc/52/54/17/446525417.db2.gz BUTXJVLMYGWKAE-NHCYSSNCSA-N 2 2 348.274 1.811 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)cc1Cl ZINC000420349141 446525424 /nfs/dbraw/zinc/52/54/24/446525424.db2.gz BUTXJVLMYGWKAE-NHCYSSNCSA-N 2 2 348.274 1.811 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1ccc(Cl)cc1Cl ZINC000420349140 446526117 /nfs/dbraw/zinc/52/61/17/446526117.db2.gz BUTXJVLMYGWKAE-JBLDHEPKSA-N 2 2 348.274 1.811 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(Cl)cc1Cl ZINC000420349140 446526121 /nfs/dbraw/zinc/52/61/21/446526121.db2.gz BUTXJVLMYGWKAE-JBLDHEPKSA-N 2 2 348.274 1.811 20 0 EDADLP CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420351356 446529063 /nfs/dbraw/zinc/52/90/63/446529063.db2.gz WQEDEXOCTXTFHY-KSSFIOAISA-N 2 2 344.459 1.196 20 0 EDADLP CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420351356 446529073 /nfs/dbraw/zinc/52/90/73/446529073.db2.gz WQEDEXOCTXTFHY-KSSFIOAISA-N 2 2 344.459 1.196 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCC1(c2ccccc2)CC1 ZINC000420358960 446540044 /nfs/dbraw/zinc/54/00/44/446540044.db2.gz FKBWJRIBSWVEAW-LJQANCHMSA-N 2 2 327.472 1.910 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCC1(c2ccccc2)CC1 ZINC000420358960 446540049 /nfs/dbraw/zinc/54/00/49/446540049.db2.gz FKBWJRIBSWVEAW-LJQANCHMSA-N 2 2 327.472 1.910 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420363120 446542479 /nfs/dbraw/zinc/54/24/79/446542479.db2.gz OZEUQAOXGPLVON-FVQBIDKESA-N 2 2 338.496 1.888 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC2)c1 ZINC000420363985 446544331 /nfs/dbraw/zinc/54/43/31/446544331.db2.gz ONGWTXCNHFETRY-KRWDZBQOSA-N 2 2 332.492 1.607 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000433229314 446551129 /nfs/dbraw/zinc/55/11/29/446551129.db2.gz BWADCQQUKCZYKP-WBVHZDCISA-N 2 2 349.479 1.671 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418511859 446572829 /nfs/dbraw/zinc/57/28/29/446572829.db2.gz KBDJRXPFYCWNRR-AGIUHOORSA-N 2 2 328.457 1.649 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418511859 446572835 /nfs/dbraw/zinc/57/28/35/446572835.db2.gz KBDJRXPFYCWNRR-AGIUHOORSA-N 2 2 328.457 1.649 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCO1 ZINC000433449804 446574809 /nfs/dbraw/zinc/57/48/09/446574809.db2.gz JAABMPRHBFLGPR-OAHLLOKOSA-N 2 2 349.479 1.800 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCO1 ZINC000433449804 446574816 /nfs/dbraw/zinc/57/48/16/446574816.db2.gz JAABMPRHBFLGPR-OAHLLOKOSA-N 2 2 349.479 1.800 20 0 EDADLP [NH3+]C[C@@H]1CCCCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000433496952 446582834 /nfs/dbraw/zinc/58/28/34/446582834.db2.gz HSVODAYQFMQDCJ-HNNXBMFYSA-N 2 2 336.505 1.206 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCC[N@@H+]1C ZINC000433509677 446584092 /nfs/dbraw/zinc/58/40/92/446584092.db2.gz NOZWBIKUNHAPDN-HLPPOEQASA-N 2 2 335.452 1.422 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCC[N@H+]1C ZINC000433509677 446584097 /nfs/dbraw/zinc/58/40/97/446584097.db2.gz NOZWBIKUNHAPDN-HLPPOEQASA-N 2 2 335.452 1.422 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420411495 446584541 /nfs/dbraw/zinc/58/45/41/446584541.db2.gz RQSQBNGFWLAJOK-YDHLFZDLSA-N 2 2 332.448 1.889 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420411495 446584548 /nfs/dbraw/zinc/58/45/48/446584548.db2.gz RQSQBNGFWLAJOK-YDHLFZDLSA-N 2 2 332.448 1.889 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000420434735 446609083 /nfs/dbraw/zinc/60/90/83/446609083.db2.gz FKESFRRXFVWUCG-HNNXBMFYSA-N 2 2 329.441 1.070 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCSC1 ZINC000371115729 446635945 /nfs/dbraw/zinc/63/59/45/446635945.db2.gz BGLHKERYLUUPBS-HIFRSBDPSA-N 2 2 326.510 1.302 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCSC1 ZINC000371115729 446635951 /nfs/dbraw/zinc/63/59/51/446635951.db2.gz BGLHKERYLUUPBS-HIFRSBDPSA-N 2 2 326.510 1.302 20 0 EDADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000368102131 446643239 /nfs/dbraw/zinc/64/32/39/446643239.db2.gz MMZSIHYTWGWGCN-FZMZJTMJSA-N 2 2 334.445 1.989 20 0 EDADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000368102131 446643245 /nfs/dbraw/zinc/64/32/45/446643245.db2.gz MMZSIHYTWGWGCN-FZMZJTMJSA-N 2 2 334.445 1.989 20 0 EDADLP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418729087 446656447 /nfs/dbraw/zinc/65/64/47/446656447.db2.gz NTCMABTWCSEBJI-CQSZACIVSA-N 2 2 332.439 1.782 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCSC3)C2)CC1 ZINC000376705133 446663354 /nfs/dbraw/zinc/66/33/54/446663354.db2.gz DGYHZEPSDXVSEW-HUUCEWRRSA-N 2 2 340.537 1.597 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCSC3)C2)CC1 ZINC000376705133 446663360 /nfs/dbraw/zinc/66/33/60/446663360.db2.gz DGYHZEPSDXVSEW-HUUCEWRRSA-N 2 2 340.537 1.597 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411753126 446668511 /nfs/dbraw/zinc/66/85/11/446668511.db2.gz FIRARPWWDPZNGP-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411753126 446668519 /nfs/dbraw/zinc/66/85/19/446668519.db2.gz FIRARPWWDPZNGP-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418753968 446672111 /nfs/dbraw/zinc/67/21/11/446672111.db2.gz HUJOZSYQIMOEFC-AWEZNQCLSA-N 2 2 332.439 1.749 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411600683 446622833 /nfs/dbraw/zinc/62/28/33/446622833.db2.gz YSQWBMWUAQCZAY-XQQFMLRXSA-N 2 2 337.468 1.744 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411600683 446622837 /nfs/dbraw/zinc/62/28/37/446622837.db2.gz YSQWBMWUAQCZAY-XQQFMLRXSA-N 2 2 337.468 1.744 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423646518 446623734 /nfs/dbraw/zinc/62/37/34/446623734.db2.gz UXQUWKAFGOZMNR-AEFFLSMTSA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423646518 446623737 /nfs/dbraw/zinc/62/37/37/446623737.db2.gz UXQUWKAFGOZMNR-AEFFLSMTSA-N 2 2 335.492 1.478 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418772882 446691104 /nfs/dbraw/zinc/69/11/04/446691104.db2.gz UXFFHRGPIQUXSD-HNNXBMFYSA-N 2 2 346.466 1.995 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CC[NH+](Cc2ccco2)CC1 ZINC000418772857 446691514 /nfs/dbraw/zinc/69/15/14/446691514.db2.gz USFSFJKBRGRHSH-ZDUSSCGKSA-N 2 2 342.390 1.352 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000435346423 446692669 /nfs/dbraw/zinc/69/26/69/446692669.db2.gz RRUIRWRNRXNHQF-HPFXQQBRSA-N 2 2 347.507 2.478 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C[C@H]1C ZINC000418774753 446693147 /nfs/dbraw/zinc/69/31/47/446693147.db2.gz VWRCPCFIARPTES-MCIONIFRSA-N 2 2 332.439 1.745 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C[C@H]1C ZINC000418774753 446693151 /nfs/dbraw/zinc/69/31/51/446693151.db2.gz VWRCPCFIARPTES-MCIONIFRSA-N 2 2 332.439 1.745 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](C(=O)N(C)C)C3)c2cc1C ZINC000411929218 446738645 /nfs/dbraw/zinc/73/86/45/446738645.db2.gz DJMIMXGZFHPEED-HOTGVXAUSA-N 2 2 344.459 1.424 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](C(=O)N(C)C)C3)c2cc1C ZINC000411929218 446738649 /nfs/dbraw/zinc/73/86/49/446738649.db2.gz DJMIMXGZFHPEED-HOTGVXAUSA-N 2 2 344.459 1.424 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000423810724 446700999 /nfs/dbraw/zinc/70/09/99/446700999.db2.gz BDUOQXXYNJAQQM-MBNYWOFBSA-N 2 2 333.329 1.809 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000423810724 446701004 /nfs/dbraw/zinc/70/10/04/446701004.db2.gz BDUOQXXYNJAQQM-MBNYWOFBSA-N 2 2 333.329 1.809 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435627212 446703823 /nfs/dbraw/zinc/70/38/23/446703823.db2.gz QSYDWVDEZRGWRJ-GOSISDBHSA-N 2 2 333.476 1.913 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435627212 446703830 /nfs/dbraw/zinc/70/38/30/446703830.db2.gz QSYDWVDEZRGWRJ-GOSISDBHSA-N 2 2 333.476 1.913 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368208786 446711111 /nfs/dbraw/zinc/71/11/11/446711111.db2.gz MXAHKALNTMEHLG-INIZCTEOSA-N 2 2 327.432 1.741 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368208786 446711118 /nfs/dbraw/zinc/71/11/18/446711118.db2.gz MXAHKALNTMEHLG-INIZCTEOSA-N 2 2 327.432 1.741 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1C ZINC000423874325 446735887 /nfs/dbraw/zinc/73/58/87/446735887.db2.gz BEGYQBPFMXISFC-UGUYLWEFSA-N 2 2 337.464 1.003 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1C ZINC000423874325 446735893 /nfs/dbraw/zinc/73/58/93/446735893.db2.gz BEGYQBPFMXISFC-UGUYLWEFSA-N 2 2 337.464 1.003 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000623178118 450435724 /nfs/dbraw/zinc/43/57/24/450435724.db2.gz DCSGOZWYSRANGI-HOCLYGCPSA-N 2 2 328.391 1.758 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000423912244 446761563 /nfs/dbraw/zinc/76/15/63/446761563.db2.gz IILYABPHNOKPGZ-QEJZJMRPSA-N 2 2 340.443 1.708 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000423912244 446761570 /nfs/dbraw/zinc/76/15/70/446761570.db2.gz IILYABPHNOKPGZ-QEJZJMRPSA-N 2 2 340.443 1.708 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000371309921 446764808 /nfs/dbraw/zinc/76/48/08/446764808.db2.gz DMTFWDMIWBHHII-JKSUJKDBSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000371309921 446764816 /nfs/dbraw/zinc/76/48/16/446764816.db2.gz DMTFWDMIWBHHII-JKSUJKDBSA-N 2 2 331.464 1.834 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCCC1 ZINC000368304307 446771072 /nfs/dbraw/zinc/77/10/72/446771072.db2.gz LSVKSXHEYGBQPR-IAGOWNOFSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCCC1 ZINC000368304307 446771078 /nfs/dbraw/zinc/77/10/78/446771078.db2.gz LSVKSXHEYGBQPR-IAGOWNOFSA-N 2 2 338.496 1.269 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)c1coc(C[NH3+])c1 ZINC000423933860 446785239 /nfs/dbraw/zinc/78/52/39/446785239.db2.gz SYPSPJSNSPDJSA-ROUUACIJSA-N 2 2 343.427 1.882 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)c1coc(C[NH3+])c1 ZINC000423933860 446785249 /nfs/dbraw/zinc/78/52/49/446785249.db2.gz SYPSPJSNSPDJSA-ROUUACIJSA-N 2 2 343.427 1.882 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN(C)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000375478284 446832343 /nfs/dbraw/zinc/83/23/43/446832343.db2.gz MGZKDRMFISQZFK-IHPCNDPISA-N 2 2 347.503 1.711 20 0 EDADLP C[C@H]1COCC[N@H+]1CCN(C)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000375478284 446832346 /nfs/dbraw/zinc/83/23/46/446832346.db2.gz MGZKDRMFISQZFK-IHPCNDPISA-N 2 2 347.503 1.711 20 0 EDADLP C[C@H]1COCC[NH+]1CCN(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000375478284 446832348 /nfs/dbraw/zinc/83/23/48/446832348.db2.gz MGZKDRMFISQZFK-IHPCNDPISA-N 2 2 347.503 1.711 20 0 EDADLP C[C@H]1COCC[NH+]1CCN(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000375478284 446832349 /nfs/dbraw/zinc/83/23/49/446832349.db2.gz MGZKDRMFISQZFK-IHPCNDPISA-N 2 2 347.503 1.711 20 0 EDADLP CCc1nn(C)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371409293 446838011 /nfs/dbraw/zinc/83/80/11/446838011.db2.gz ZTWADZWPEWTNQY-OAHLLOKOSA-N 2 2 333.480 1.223 20 0 EDADLP CCc1nn(C)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371409293 446838015 /nfs/dbraw/zinc/83/80/15/446838015.db2.gz ZTWADZWPEWTNQY-OAHLLOKOSA-N 2 2 333.480 1.223 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)C1 ZINC000423972651 446802444 /nfs/dbraw/zinc/80/24/44/446802444.db2.gz PQJAXDMYEGMYBV-ZDUSSCGKSA-N 2 2 338.477 1.658 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)C1 ZINC000423972651 446802449 /nfs/dbraw/zinc/80/24/49/446802449.db2.gz PQJAXDMYEGMYBV-ZDUSSCGKSA-N 2 2 338.477 1.658 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000423983443 446806354 /nfs/dbraw/zinc/80/63/54/446806354.db2.gz AIURAOMGRNFKKV-QAPCUYQASA-N 2 2 339.443 1.518 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000423983443 446806359 /nfs/dbraw/zinc/80/63/59/446806359.db2.gz AIURAOMGRNFKKV-QAPCUYQASA-N 2 2 339.443 1.518 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000419008891 446862814 /nfs/dbraw/zinc/86/28/14/446862814.db2.gz UTRGSXBAMLCOLP-INIZCTEOSA-N 2 2 346.475 1.087 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000419008891 446862819 /nfs/dbraw/zinc/86/28/19/446862819.db2.gz UTRGSXBAMLCOLP-INIZCTEOSA-N 2 2 346.475 1.087 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000419010112 446865461 /nfs/dbraw/zinc/86/54/61/446865461.db2.gz XDQVQQXMXDCLMH-HZPDHXFCSA-N 2 2 346.475 1.215 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000419010112 446865466 /nfs/dbraw/zinc/86/54/66/446865466.db2.gz XDQVQQXMXDCLMH-HZPDHXFCSA-N 2 2 346.475 1.215 20 0 EDADLP COC(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420899345 446876174 /nfs/dbraw/zinc/87/61/74/446876174.db2.gz GRFWPXIYXZIXIG-UHFFFAOYSA-N 2 2 332.444 1.904 20 0 EDADLP COCC[N@@H+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000420908329 446882122 /nfs/dbraw/zinc/88/21/22/446882122.db2.gz WRXRSDCEDMBGSC-SFHVURJKSA-N 2 2 347.503 1.671 20 0 EDADLP COCC[N@H+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000420908329 446882128 /nfs/dbraw/zinc/88/21/28/446882128.db2.gz WRXRSDCEDMBGSC-SFHVURJKSA-N 2 2 347.503 1.671 20 0 EDADLP CC(=O)N1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC000420932120 446905083 /nfs/dbraw/zinc/90/50/83/446905083.db2.gz HHPXNHJIUZGOHG-MRXNPFEDSA-N 2 2 331.460 1.571 20 0 EDADLP CC(=O)N1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC000420932120 446905090 /nfs/dbraw/zinc/90/50/90/446905090.db2.gz HHPXNHJIUZGOHG-MRXNPFEDSA-N 2 2 331.460 1.571 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)[nH+]c1 ZINC000454542690 446906685 /nfs/dbraw/zinc/90/66/85/446906685.db2.gz WYQDTDXAIYDTHU-KGLIPLIRSA-N 2 2 328.420 2.394 20 0 EDADLP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCO1 ZINC000420967089 446936942 /nfs/dbraw/zinc/93/69/42/446936942.db2.gz SMOJWYIBSIDYSH-RBUKOAKNSA-N 2 2 334.460 1.802 20 0 EDADLP COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420965059 446934539 /nfs/dbraw/zinc/93/45/39/446934539.db2.gz OTTMKHDTAPQWKS-GOSISDBHSA-N 2 2 348.443 1.283 20 0 EDADLP COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420965059 446934543 /nfs/dbraw/zinc/93/45/43/446934543.db2.gz OTTMKHDTAPQWKS-GOSISDBHSA-N 2 2 348.443 1.283 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000420977496 446949402 /nfs/dbraw/zinc/94/94/02/446949402.db2.gz IGTMAXSKILAFIK-LJQANCHMSA-N 2 2 344.503 1.705 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000420977496 446949408 /nfs/dbraw/zinc/94/94/08/446949408.db2.gz IGTMAXSKILAFIK-LJQANCHMSA-N 2 2 344.503 1.705 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442766980 446959744 /nfs/dbraw/zinc/95/97/44/446959744.db2.gz LUAAVSCMALYGBK-HKUYNNGSSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442766980 446959752 /nfs/dbraw/zinc/95/97/52/446959752.db2.gz LUAAVSCMALYGBK-HKUYNNGSSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442766803 446960070 /nfs/dbraw/zinc/96/00/70/446960070.db2.gz LPPDBDMPMLNLEI-CVEARBPZSA-N 2 2 346.475 1.336 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442766803 446960073 /nfs/dbraw/zinc/96/00/73/446960073.db2.gz LPPDBDMPMLNLEI-CVEARBPZSA-N 2 2 346.475 1.336 20 0 EDADLP CC(C)[C@H](CNc1cccc(-n2cc[nH+]c2)n1)[NH+]1CCN(C)CC1 ZINC000372115719 447009469 /nfs/dbraw/zinc/00/94/69/447009469.db2.gz IYXUEMPYJRINEI-INIZCTEOSA-N 2 2 328.464 1.951 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)c[nH+]1 ZINC000419205512 447009632 /nfs/dbraw/zinc/00/96/32/447009632.db2.gz LGNQNKNLEZAQPA-OAHLLOKOSA-N 2 2 349.479 1.034 20 0 EDADLP CC[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)c1[nH]cc[nH+]1 ZINC000442805555 446974831 /nfs/dbraw/zinc/97/48/31/446974831.db2.gz AGOWWHJPBSAVBP-KFWWJZLASA-N 2 2 347.463 1.310 20 0 EDADLP CC[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)c1[nH]cc[nH+]1 ZINC000442805555 446974837 /nfs/dbraw/zinc/97/48/37/446974837.db2.gz AGOWWHJPBSAVBP-KFWWJZLASA-N 2 2 347.463 1.310 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CCC(C(F)F)CC2)CN1CC[NH+]1CCOCC1 ZINC000442820855 446979677 /nfs/dbraw/zinc/97/96/77/446979677.db2.gz UFCAPWAMRDKFBB-YMAMQOFZSA-N 2 2 345.434 1.333 20 0 EDADLP C[C@H]1CC[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421019784 446990043 /nfs/dbraw/zinc/99/00/43/446990043.db2.gz NSOVKCURLNRHQY-MAUKXSAKSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H]1CC[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421019784 446990048 /nfs/dbraw/zinc/99/00/48/446990048.db2.gz NSOVKCURLNRHQY-MAUKXSAKSA-N 2 2 347.459 1.303 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000375714383 446996323 /nfs/dbraw/zinc/99/63/23/446996323.db2.gz MJGDQCMVCUZATJ-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000375714383 446996327 /nfs/dbraw/zinc/99/63/27/446996327.db2.gz MJGDQCMVCUZATJ-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000375795565 447056538 /nfs/dbraw/zinc/05/65/38/447056538.db2.gz MZDPFOTVQLEALK-SFHVURJKSA-N 2 2 341.459 1.637 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000375795565 447056543 /nfs/dbraw/zinc/05/65/43/447056543.db2.gz MZDPFOTVQLEALK-SFHVURJKSA-N 2 2 341.459 1.637 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(C)Cc3ccco3)C2)CC1 ZINC000375891705 447124953 /nfs/dbraw/zinc/12/49/53/447124953.db2.gz RVQNZCJEYRMGHG-KRWDZBQOSA-N 2 2 348.491 1.338 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccco3)C2)CC1 ZINC000375891705 447124962 /nfs/dbraw/zinc/12/49/62/447124962.db2.gz RVQNZCJEYRMGHG-KRWDZBQOSA-N 2 2 348.491 1.338 20 0 EDADLP COc1cc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)ccc1OCCO ZINC000425349238 447122887 /nfs/dbraw/zinc/12/28/87/447122887.db2.gz KVWZPPQNMZJNAU-ZDUSSCGKSA-N 2 2 348.447 1.717 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000372478750 447077005 /nfs/dbraw/zinc/07/70/05/447077005.db2.gz WGDGUNYHVCPHQQ-RHSMWYFYSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000372478750 447077013 /nfs/dbraw/zinc/07/70/13/447077013.db2.gz WGDGUNYHVCPHQQ-RHSMWYFYSA-N 2 2 348.495 1.291 20 0 EDADLP CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000372493325 447086892 /nfs/dbraw/zinc/08/68/92/447086892.db2.gz GUKWFIIZXUWFAO-UHFFFAOYSA-N 2 2 343.431 1.186 20 0 EDADLP CC(C)(O)C[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000372493325 447086898 /nfs/dbraw/zinc/08/68/98/447086898.db2.gz GUKWFIIZXUWFAO-UHFFFAOYSA-N 2 2 343.431 1.186 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccc(F)cc1 ZINC000444189600 447092046 /nfs/dbraw/zinc/09/20/46/447092046.db2.gz VURMFZOLKGJMMC-DAYGRLMNSA-N 2 2 328.391 1.764 20 0 EDADLP CCOC(=O)C(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377375814 447096611 /nfs/dbraw/zinc/09/66/11/447096611.db2.gz WXKBJWNIFRAZCO-CQSZACIVSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377375814 447096615 /nfs/dbraw/zinc/09/66/15/447096615.db2.gz WXKBJWNIFRAZCO-CQSZACIVSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3c(C)nn(C)c3OC)CC2)CC1 ZINC000421367536 447142425 /nfs/dbraw/zinc/14/24/25/447142425.db2.gz FEMPLIHMNUEDQR-UHFFFAOYSA-N 2 2 349.523 1.729 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(C)nn(C)c3OC)CC2)CC1 ZINC000421367536 447142432 /nfs/dbraw/zinc/14/24/32/447142432.db2.gz FEMPLIHMNUEDQR-UHFFFAOYSA-N 2 2 349.523 1.729 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3c(C)nn(C)c3OC)CC2)CC1 ZINC000421367536 447142440 /nfs/dbraw/zinc/14/24/40/447142440.db2.gz FEMPLIHMNUEDQR-UHFFFAOYSA-N 2 2 349.523 1.729 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3c(C)nn(C)c3OC)CC2)CC1 ZINC000421367536 447142443 /nfs/dbraw/zinc/14/24/43/447142443.db2.gz FEMPLIHMNUEDQR-UHFFFAOYSA-N 2 2 349.523 1.729 20 0 EDADLP CCC(CC)[C@H](CNc1ncnc2c1C[N@H+](C)CC2)[NH+]1CCOCC1 ZINC000368838548 447149225 /nfs/dbraw/zinc/14/92/25/447149225.db2.gz MIICZHUODWJUQM-SFHVURJKSA-N 2 2 347.507 2.013 20 0 EDADLP CCC(CC)[C@H](CNc1ncnc2c1C[N@@H+](C)CC2)[NH+]1CCOCC1 ZINC000368838548 447149229 /nfs/dbraw/zinc/14/92/29/447149229.db2.gz MIICZHUODWJUQM-SFHVURJKSA-N 2 2 347.507 2.013 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cn1C ZINC000377548700 447196917 /nfs/dbraw/zinc/19/69/17/447196917.db2.gz IGPSIZAJPWWHPK-HOTGVXAUSA-N 2 2 335.448 1.402 20 0 EDADLP COCC(C)(C)N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000425508018 447201255 /nfs/dbraw/zinc/20/12/55/447201255.db2.gz RHUNPZFSCORUJY-UHFFFAOYSA-N 2 2 340.556 1.445 20 0 EDADLP COCC(C)(C)[NH+]1CCN(CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000425508018 447201259 /nfs/dbraw/zinc/20/12/59/447201259.db2.gz RHUNPZFSCORUJY-UHFFFAOYSA-N 2 2 340.556 1.445 20 0 EDADLP CN(C(=O)NCc1ccccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924129 447206018 /nfs/dbraw/zinc/20/60/18/447206018.db2.gz HVGOTCRYCMCDNZ-QGZVFWFLSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C(=O)NCc1ccccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924129 447206025 /nfs/dbraw/zinc/20/60/25/447206025.db2.gz HVGOTCRYCMCDNZ-QGZVFWFLSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)CCn1cc[nH+]c1 ZINC000372594257 447169541 /nfs/dbraw/zinc/16/95/41/447169541.db2.gz VQFKQAIEHZGKHL-WMZOPIPTSA-N 2 2 327.432 1.820 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)CCn1cc[nH+]c1 ZINC000372594257 447169545 /nfs/dbraw/zinc/16/95/45/447169545.db2.gz VQFKQAIEHZGKHL-WMZOPIPTSA-N 2 2 327.432 1.820 20 0 EDADLP CO[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC(C)C ZINC000419493697 447222819 /nfs/dbraw/zinc/22/28/19/447222819.db2.gz PNQKCQDXBLLVCF-INIZCTEOSA-N 2 2 328.501 1.373 20 0 EDADLP CCc1ncc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cn1 ZINC000414301246 447289937 /nfs/dbraw/zinc/28/99/37/447289937.db2.gz SSSTZXGISZQUEH-INIZCTEOSA-N 2 2 326.448 2.186 20 0 EDADLP CC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)c1 ZINC000377639744 447264608 /nfs/dbraw/zinc/26/46/08/447264608.db2.gz KOWSBKHSJBBKFY-KRWDZBQOSA-N 2 2 346.475 1.468 20 0 EDADLP CC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)c1 ZINC000377639744 447264614 /nfs/dbraw/zinc/26/46/14/447264614.db2.gz KOWSBKHSJBBKFY-KRWDZBQOSA-N 2 2 346.475 1.468 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H]2CCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000426485274 447454724 /nfs/dbraw/zinc/45/47/24/447454724.db2.gz IMIFLMLWQROTNE-DLBZAZTESA-N 2 2 328.460 1.995 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H]2CCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000426485274 447454728 /nfs/dbraw/zinc/45/47/28/447454728.db2.gz IMIFLMLWQROTNE-DLBZAZTESA-N 2 2 328.460 1.995 20 0 EDADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)C1CCCCC1 ZINC000419986435 447530190 /nfs/dbraw/zinc/53/01/90/447530190.db2.gz ZPBBERSZNLCXDG-MRXNPFEDSA-N 2 2 347.463 1.070 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H](C)c2[nH+]ccn2CC)CC[N@@H+]1CCOC ZINC000459073004 447562127 /nfs/dbraw/zinc/56/21/27/447562127.db2.gz ZHPMQGUYOKRIFY-HUUCEWRRSA-N 2 2 337.468 1.716 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H](C)c2[nH+]ccn2CC)CC[N@H+]1CCOC ZINC000459073004 447562133 /nfs/dbraw/zinc/56/21/33/447562133.db2.gz ZHPMQGUYOKRIFY-HUUCEWRRSA-N 2 2 337.468 1.716 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000427275166 447573195 /nfs/dbraw/zinc/57/31/95/447573195.db2.gz LBDDYTQOBUZCFP-OAHLLOKOSA-N 2 2 332.448 1.314 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2COCC2(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459213469 447614722 /nfs/dbraw/zinc/61/47/22/447614722.db2.gz YFEBKEJETDMGFH-GOEBONIOSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2COCC2(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459213469 447614726 /nfs/dbraw/zinc/61/47/26/447614726.db2.gz YFEBKEJETDMGFH-GOEBONIOSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459284850 447628750 /nfs/dbraw/zinc/62/87/50/447628750.db2.gz DYMBDBIHCKWYCZ-JKSUJKDBSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459284850 447628752 /nfs/dbraw/zinc/62/87/52/447628752.db2.gz DYMBDBIHCKWYCZ-JKSUJKDBSA-N 2 2 326.485 1.080 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416886529 447701835 /nfs/dbraw/zinc/70/18/35/447701835.db2.gz GUPUFJCGDOSUJB-QGZVFWFLSA-N 2 2 348.491 1.877 20 0 EDADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459409637 447655968 /nfs/dbraw/zinc/65/59/68/447655968.db2.gz RFFDEDABTFRCAS-UHFFFAOYSA-N 3 2 344.503 1.694 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416910715 447706833 /nfs/dbraw/zinc/70/68/33/447706833.db2.gz HXMVDNJWAKNDJH-RHSMWYFYSA-N 2 2 327.432 1.729 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000422633824 447680862 /nfs/dbraw/zinc/68/08/62/447680862.db2.gz IRGJHPKNYBKHGS-IJEWVQPXSA-N 2 2 346.475 1.632 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000422633824 447680866 /nfs/dbraw/zinc/68/08/66/447680866.db2.gz IRGJHPKNYBKHGS-IJEWVQPXSA-N 2 2 346.475 1.632 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416805488 447688976 /nfs/dbraw/zinc/68/89/76/447688976.db2.gz FAUTVUDAXXOIMQ-SJORKVTESA-N 2 2 334.464 1.170 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416805488 447688982 /nfs/dbraw/zinc/68/89/82/447688982.db2.gz FAUTVUDAXXOIMQ-SJORKVTESA-N 2 2 334.464 1.170 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416923757 447711076 /nfs/dbraw/zinc/71/10/76/447711076.db2.gz WLZJGXDNEPUWGU-KCXAZCMYSA-N 2 2 345.422 1.946 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000416928279 447712737 /nfs/dbraw/zinc/71/27/37/447712737.db2.gz XXZSPQTVBDCUEG-GJZGRUSLSA-N 2 2 331.395 1.700 20 0 EDADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422713799 447724900 /nfs/dbraw/zinc/72/49/00/447724900.db2.gz HYXRWUYUKDBXRP-MSOLQXFVSA-N 2 2 337.508 1.770 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422727312 447730703 /nfs/dbraw/zinc/73/07/03/447730703.db2.gz CCPDDYCJMHRCQF-OFQRWUPVSA-N 2 2 337.489 1.768 20 0 EDADLP COc1cccc([C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)N(C)C)c1 ZINC000422727110 447731278 /nfs/dbraw/zinc/73/12/78/447731278.db2.gz GQIDVVVGBXAICF-IPMKNSEASA-N 2 2 333.476 1.655 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000422802674 447753981 /nfs/dbraw/zinc/75/39/81/447753981.db2.gz HTZKPLPXOJEULP-RCCFBDPRSA-N 2 2 331.460 1.707 20 0 EDADLP c1ncn(Cc2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)n1 ZINC000422816384 447757642 /nfs/dbraw/zinc/75/76/42/447757642.db2.gz ZUWMWVKHUKFUSY-ZWKOTPCHSA-N 2 2 327.432 1.183 20 0 EDADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1N1CCOCC1 ZINC000422826399 447762095 /nfs/dbraw/zinc/76/20/95/447762095.db2.gz LHEAQQQSCBIPKH-APWZRJJASA-N 2 2 340.471 1.966 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953553 447779621 /nfs/dbraw/zinc/77/96/21/447779621.db2.gz FPHYWLGQOUENIX-DLBZAZTESA-N 2 2 349.500 1.941 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1CC1 ZINC000496438659 447783210 /nfs/dbraw/zinc/78/32/10/447783210.db2.gz PDQNWUWMCPPRHD-KBMXLJTQSA-N 2 2 339.480 1.383 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1CC1 ZINC000496438659 447783212 /nfs/dbraw/zinc/78/32/12/447783212.db2.gz PDQNWUWMCPPRHD-KBMXLJTQSA-N 2 2 339.480 1.383 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1CC1 ZINC000496438659 447783214 /nfs/dbraw/zinc/78/32/14/447783214.db2.gz PDQNWUWMCPPRHD-KBMXLJTQSA-N 2 2 339.480 1.383 20 0 EDADLP CCC[N@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)C1CC[NH2+]CC1 ZINC000431104384 447791760 /nfs/dbraw/zinc/79/17/60/447791760.db2.gz GDGJXJGWCMXKSH-UHFFFAOYSA-N 2 2 346.475 1.839 20 0 EDADLP CCC[N@@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)C1CC[NH2+]CC1 ZINC000431104384 447791764 /nfs/dbraw/zinc/79/17/64/447791764.db2.gz GDGJXJGWCMXKSH-UHFFFAOYSA-N 2 2 346.475 1.839 20 0 EDADLP C[C@H]1COC(C)(C)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000487427423 447832428 /nfs/dbraw/zinc/83/24/28/447832428.db2.gz JMJSYXAZHVTZSZ-AWEZNQCLSA-N 2 2 326.485 1.221 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496653349 447841529 /nfs/dbraw/zinc/84/15/29/447841529.db2.gz BWZIMSRKCUTPQM-SUMWQHHRSA-N 2 2 338.452 1.485 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CCN2C1=O ZINC000576003326 447948860 /nfs/dbraw/zinc/94/88/60/447948860.db2.gz SJQFRPDDSGOZPL-HOTGVXAUSA-N 2 2 345.834 1.270 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CCN2C1=O ZINC000576003326 447948868 /nfs/dbraw/zinc/94/88/68/447948868.db2.gz SJQFRPDDSGOZPL-HOTGVXAUSA-N 2 2 345.834 1.270 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N[C@H]2CCC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000576013696 447951903 /nfs/dbraw/zinc/95/19/03/447951903.db2.gz SODMADYMOWHAAR-ZWKOTPCHSA-N 2 2 346.475 1.420 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1COC(=O)NC1CC1)C1CC1 ZINC000497207746 447959827 /nfs/dbraw/zinc/95/98/27/447959827.db2.gz CZMOROJPMFMERU-JKSUJKDBSA-N 2 2 325.453 1.185 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1COC(=O)NC1CC1)C1CC1 ZINC000497207746 447959839 /nfs/dbraw/zinc/95/98/39/447959839.db2.gz CZMOROJPMFMERU-JKSUJKDBSA-N 2 2 325.453 1.185 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CC1)C1CC1 ZINC000497207746 447959843 /nfs/dbraw/zinc/95/98/43/447959843.db2.gz CZMOROJPMFMERU-JKSUJKDBSA-N 2 2 325.453 1.185 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CC1)C1CC1 ZINC000497207746 447959848 /nfs/dbraw/zinc/95/98/48/447959848.db2.gz CZMOROJPMFMERU-JKSUJKDBSA-N 2 2 325.453 1.185 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000525670400 448008191 /nfs/dbraw/zinc/00/81/91/448008191.db2.gz JZOQIMUWOIAMLN-WMZOPIPTSA-N 2 2 339.524 1.970 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000525670400 448008194 /nfs/dbraw/zinc/00/81/94/448008194.db2.gz JZOQIMUWOIAMLN-WMZOPIPTSA-N 2 2 339.524 1.970 20 0 EDADLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000497218349 447971133 /nfs/dbraw/zinc/97/11/33/447971133.db2.gz IXLHPWJVJDSZGW-HNNXBMFYSA-N 2 2 349.479 1.928 20 0 EDADLP CCCN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000570784375 448062688 /nfs/dbraw/zinc/06/26/88/448062688.db2.gz XRZQCTYCRQFDEB-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000525705569 448015317 /nfs/dbraw/zinc/01/53/17/448015317.db2.gz VYLKNPHAOPOLBT-OAHLLOKOSA-N 2 2 343.475 2.345 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000525705569 448015322 /nfs/dbraw/zinc/01/53/22/448015322.db2.gz VYLKNPHAOPOLBT-OAHLLOKOSA-N 2 2 343.475 2.345 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)[C@@H](C)C1 ZINC000497724354 448074193 /nfs/dbraw/zinc/07/41/93/448074193.db2.gz VSSCDSQAJCBDKH-CZANMRCUSA-N 2 2 328.460 1.816 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)[C@@H](C)C1 ZINC000497724354 448074196 /nfs/dbraw/zinc/07/41/96/448074196.db2.gz VSSCDSQAJCBDKH-CZANMRCUSA-N 2 2 328.460 1.816 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000526004416 448076380 /nfs/dbraw/zinc/07/63/80/448076380.db2.gz SLTGJTJWMPNEIO-GFCCVEGCSA-N 2 2 330.436 1.389 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000526004416 448076384 /nfs/dbraw/zinc/07/63/84/448076384.db2.gz SLTGJTJWMPNEIO-GFCCVEGCSA-N 2 2 330.436 1.389 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000526025878 448082216 /nfs/dbraw/zinc/08/22/16/448082216.db2.gz JUUQXTDAMUAJPM-UHFFFAOYSA-N 2 2 326.404 1.409 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000571046827 448099259 /nfs/dbraw/zinc/09/92/59/448099259.db2.gz QPTSURYVCNAGAI-GVDBMIGSSA-N 2 2 345.491 1.218 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000576473186 448065284 /nfs/dbraw/zinc/06/52/84/448065284.db2.gz NLEMABUNDFTULD-IAGOWNOFSA-N 2 2 347.503 1.995 20 0 EDADLP COc1cc(F)c(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000514608643 448172972 /nfs/dbraw/zinc/17/29/72/448172972.db2.gz GZLWKNWUZMFMML-ZDUSSCGKSA-N 2 2 326.412 1.901 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH+]1CCOCC1 ZINC000571685300 448191001 /nfs/dbraw/zinc/19/10/01/448191001.db2.gz FRYNPYUFFRHTRP-WBVHZDCISA-N 2 2 334.464 1.309 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CC3([NH+](C)C)CCC3)nc[nH+]2)C1 ZINC000514781187 448202321 /nfs/dbraw/zinc/20/23/21/448202321.db2.gz UKTCFYBIUOCAFS-HUUCEWRRSA-N 2 2 333.480 1.604 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000514803179 448207217 /nfs/dbraw/zinc/20/72/17/448207217.db2.gz PJLDRPBIFXBWCY-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C[C@@H]21 ZINC000514582253 448164457 /nfs/dbraw/zinc/16/44/57/448164457.db2.gz PUEUZVLFBSVFTN-MSOLQXFVSA-N 2 2 339.443 1.777 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C[C@@H]21 ZINC000514582253 448164462 /nfs/dbraw/zinc/16/44/62/448164462.db2.gz PUEUZVLFBSVFTN-MSOLQXFVSA-N 2 2 339.443 1.777 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000577117171 448214461 /nfs/dbraw/zinc/21/44/61/448214461.db2.gz PRDCEUBEJVKLTJ-SFHVURJKSA-N 2 2 331.460 1.882 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000515220253 448277653 /nfs/dbraw/zinc/27/76/53/448277653.db2.gz PGJYUCKAYJAYGQ-HNNXBMFYSA-N 2 2 328.420 1.932 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCc1c[nH+]c2n1CCCC2)C1CC1 ZINC000515080347 448258554 /nfs/dbraw/zinc/25/85/54/448258554.db2.gz QGWRSBUANPAPKG-OAHLLOKOSA-N 2 2 328.420 1.903 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)[NH+]1CC(C)C1 ZINC000577295480 448260713 /nfs/dbraw/zinc/26/07/13/448260713.db2.gz QIBUSMFWHIXEJU-HNNXBMFYSA-N 2 2 331.460 1.922 20 0 EDADLP Cn1c[nH+]cc1CCCN1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000577527225 448322263 /nfs/dbraw/zinc/32/22/63/448322263.db2.gz SDYMZVRJCRIBKW-UHFFFAOYSA-N 3 2 344.507 1.727 20 0 EDADLP Cn1c[nH+]cc1CCCN1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000577527225 448322269 /nfs/dbraw/zinc/32/22/69/448322269.db2.gz SDYMZVRJCRIBKW-UHFFFAOYSA-N 3 2 344.507 1.727 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)CC1 ZINC000577384958 448282955 /nfs/dbraw/zinc/28/29/55/448282955.db2.gz JRMHHNYTBIHJQN-QGZVFWFLSA-N 2 2 341.459 1.495 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3F)C2)CC1 ZINC000572332878 448346332 /nfs/dbraw/zinc/34/63/32/448346332.db2.gz YOTFIXDGTJVZNN-MRXNPFEDSA-N 2 2 348.466 1.865 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3F)C2)CC1 ZINC000572332878 448346336 /nfs/dbraw/zinc/34/63/36/448346336.db2.gz YOTFIXDGTJVZNN-MRXNPFEDSA-N 2 2 348.466 1.865 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[N@@H+]2CCC(C)(C)C2)cn1 ZINC000582855016 448361459 /nfs/dbraw/zinc/36/14/59/448361459.db2.gz DXONEZZVYMHEOS-UHFFFAOYSA-N 2 2 344.463 1.377 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[N@H+]2CCC(C)(C)C2)cn1 ZINC000582855016 448361467 /nfs/dbraw/zinc/36/14/67/448361467.db2.gz DXONEZZVYMHEOS-UHFFFAOYSA-N 2 2 344.463 1.377 20 0 EDADLP CCOc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OCC ZINC000493292874 448383868 /nfs/dbraw/zinc/38/38/68/448383868.db2.gz OVDDNVHOIHHRHK-GQSKFBFOSA-N 2 2 347.459 1.599 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(C)[nH+]1 ZINC000572488110 448391906 /nfs/dbraw/zinc/39/19/06/448391906.db2.gz KMVFGSZPYGCXBX-HNNXBMFYSA-N 2 2 332.448 1.792 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c(C)[nH+]1 ZINC000572488110 448391911 /nfs/dbraw/zinc/39/19/11/448391911.db2.gz KMVFGSZPYGCXBX-HNNXBMFYSA-N 2 2 332.448 1.792 20 0 EDADLP COCCC1CC[NH+](C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000527938450 448392034 /nfs/dbraw/zinc/39/20/34/448392034.db2.gz ZHNHXSGCDPGTCM-UHFFFAOYSA-N 2 2 339.524 1.532 20 0 EDADLP COCCC1CC[NH+](C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000527938450 448392039 /nfs/dbraw/zinc/39/20/39/448392039.db2.gz ZHNHXSGCDPGTCM-UHFFFAOYSA-N 2 2 339.524 1.532 20 0 EDADLP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000566169713 448402575 /nfs/dbraw/zinc/40/25/75/448402575.db2.gz RHIFEHWBUJEJLD-TZMCWYRMSA-N 2 2 329.408 1.121 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CC[NH2+]C(C)C)cc1 ZINC000566171946 448404273 /nfs/dbraw/zinc/40/42/73/448404273.db2.gz IGEZSZGRDBEXNB-SFHVURJKSA-N 2 2 333.476 1.873 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000566222205 448418638 /nfs/dbraw/zinc/41/86/38/448418638.db2.gz YUITXKBKTKPJJH-KBXIAJHMSA-N 2 2 338.473 1.540 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000566222205 448418642 /nfs/dbraw/zinc/41/86/42/448418642.db2.gz YUITXKBKTKPJJH-KBXIAJHMSA-N 2 2 338.473 1.540 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(CC)(CC)CO)CC2)CC1 ZINC000516783454 448474541 /nfs/dbraw/zinc/47/45/41/448474541.db2.gz AMDRWZWVYGOUFB-UHFFFAOYSA-N 2 2 339.524 1.804 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(CC)(CC)CO)CC2)CC1 ZINC000516783454 448474544 /nfs/dbraw/zinc/47/45/44/448474544.db2.gz AMDRWZWVYGOUFB-UHFFFAOYSA-N 2 2 339.524 1.804 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000591733757 448476449 /nfs/dbraw/zinc/47/64/49/448476449.db2.gz HRGBOUMJOTVLLH-HZPDHXFCSA-N 2 2 336.432 1.287 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000591733757 448476453 /nfs/dbraw/zinc/47/64/53/448476453.db2.gz HRGBOUMJOTVLLH-HZPDHXFCSA-N 2 2 336.432 1.287 20 0 EDADLP C[NH+](C)C1CC([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000566474777 448486902 /nfs/dbraw/zinc/48/69/02/448486902.db2.gz IHDKBBLYKPDQIK-UHFFFAOYSA-N 2 2 331.460 1.870 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+]1CC(C)C1 ZINC000516876114 448487608 /nfs/dbraw/zinc/48/76/08/448487608.db2.gz NKIFPTIBKWOYNJ-HNNXBMFYSA-N 2 2 344.459 1.353 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)[C@@H](C[NH3+])C1 ZINC000572876821 448488007 /nfs/dbraw/zinc/48/80/07/448488007.db2.gz ZVRKFEXCBKSWSK-LBPRGKRZSA-N 2 2 348.834 1.368 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)[C@@H](C[NH3+])C1 ZINC000572876821 448488013 /nfs/dbraw/zinc/48/80/13/448488013.db2.gz ZVRKFEXCBKSWSK-LBPRGKRZSA-N 2 2 348.834 1.368 20 0 EDADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000584341677 448489763 /nfs/dbraw/zinc/48/97/63/448489763.db2.gz IJUYIZRLFSGLQV-GOEBONIOSA-N 2 2 344.459 1.265 20 0 EDADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000584341677 448489767 /nfs/dbraw/zinc/48/97/67/448489767.db2.gz IJUYIZRLFSGLQV-GOEBONIOSA-N 2 2 344.459 1.265 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)[NH+]3CC(C)C3)CC2)cn1 ZINC000584359837 448498291 /nfs/dbraw/zinc/49/82/91/448498291.db2.gz PANLDFFUPKQOJF-KRWDZBQOSA-N 2 2 347.507 1.668 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)[NH+]3CC(C)C3)CC2)cn1 ZINC000584359837 448498294 /nfs/dbraw/zinc/49/82/94/448498294.db2.gz PANLDFFUPKQOJF-KRWDZBQOSA-N 2 2 347.507 1.668 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000584406425 448514107 /nfs/dbraw/zinc/51/41/07/448514107.db2.gz HDWXFWPGGOAELO-HUUCEWRRSA-N 2 2 331.416 1.626 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCCO1 ZINC000566787571 448558810 /nfs/dbraw/zinc/55/88/10/448558810.db2.gz HFTXOIZKJBNQDR-SFHVURJKSA-N 2 2 331.460 1.862 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)CCCO1 ZINC000566787571 448558815 /nfs/dbraw/zinc/55/88/15/448558815.db2.gz HFTXOIZKJBNQDR-SFHVURJKSA-N 2 2 331.460 1.862 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000573206475 448568774 /nfs/dbraw/zinc/56/87/74/448568774.db2.gz AYDFNLASTZTIPR-GJZGRUSLSA-N 2 2 326.412 1.002 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000573206475 448568777 /nfs/dbraw/zinc/56/87/77/448568777.db2.gz AYDFNLASTZTIPR-GJZGRUSLSA-N 2 2 326.412 1.002 20 0 EDADLP O=C([C@@H]1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1)N1CCCCC1 ZINC000578433968 448543100 /nfs/dbraw/zinc/54/31/00/448543100.db2.gz RWDMTAICGXYORV-XMTFNYHQSA-N 2 2 335.492 1.524 20 0 EDADLP CC[NH+]1CCC(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517732645 448610726 /nfs/dbraw/zinc/61/07/26/448610726.db2.gz MMBXHCBHQVSRBD-NUJGCVRESA-N 3 2 327.513 1.168 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc2c(F)cccn21 ZINC000528559596 448588016 /nfs/dbraw/zinc/58/80/16/448588016.db2.gz APJVGBYXQUDFQC-UHFFFAOYSA-N 2 2 347.438 1.571 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc2c(F)cccn21 ZINC000528559596 448588019 /nfs/dbraw/zinc/58/80/19/448588019.db2.gz APJVGBYXQUDFQC-UHFFFAOYSA-N 2 2 347.438 1.571 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000517630053 448599810 /nfs/dbraw/zinc/59/98/10/448599810.db2.gz FSQPAZYSGWQLOZ-BBRMVZONSA-N 2 2 346.456 1.513 20 0 EDADLP C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)n1cc[nH+]c1 ZINC000573495553 448641612 /nfs/dbraw/zinc/64/16/12/448641612.db2.gz GFCDKPQVYDFOQG-IXDOHACOSA-N 2 2 333.480 1.319 20 0 EDADLP COc1ccc([C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C2CC2)cc1 ZINC000567246253 448648696 /nfs/dbraw/zinc/64/86/96/448648696.db2.gz FIXRLVJNXSTDAA-NVXWUHKLSA-N 2 2 332.448 1.431 20 0 EDADLP COc1ccc([C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C2CC2)cc1 ZINC000567246253 448648700 /nfs/dbraw/zinc/64/87/00/448648700.db2.gz FIXRLVJNXSTDAA-NVXWUHKLSA-N 2 2 332.448 1.431 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000573550029 448656293 /nfs/dbraw/zinc/65/62/93/448656293.db2.gz DFLWLWZRHKJMGE-XNWVLMOPSA-N 2 2 349.450 1.702 20 0 EDADLP COC(=O)CC1([NH2+]CCc2cc[nH+]cc2C)CCS(=O)(=O)CC1 ZINC000592118653 448695313 /nfs/dbraw/zinc/69/53/13/448695313.db2.gz RKVGPTUPSMOXSX-UHFFFAOYSA-N 2 2 340.445 1.033 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)[C@@H](C[NH3+])C1 ZINC000579089606 448710233 /nfs/dbraw/zinc/71/02/33/448710233.db2.gz ZPBOVJZDIFTQSF-NSHDSACASA-N 2 2 337.493 1.864 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)[C@@H](C[NH3+])C1 ZINC000579089606 448710238 /nfs/dbraw/zinc/71/02/38/448710238.db2.gz ZPBOVJZDIFTQSF-NSHDSACASA-N 2 2 337.493 1.864 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2(c3cccc(Cl)c3)CC2)[C@H](C[NH3+])C1 ZINC000579098062 448712603 /nfs/dbraw/zinc/71/26/03/448712603.db2.gz SFVQZUSADNAUNR-OAHLLOKOSA-N 2 2 336.867 1.656 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3cccc(Cl)c3)CC2)[C@H](C[NH3+])C1 ZINC000579098062 448712609 /nfs/dbraw/zinc/71/26/09/448712609.db2.gz SFVQZUSADNAUNR-OAHLLOKOSA-N 2 2 336.867 1.656 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000518946985 448723745 /nfs/dbraw/zinc/72/37/45/448723745.db2.gz BUJWKDMGLIIJRD-XLIONFOSSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000518946985 448723751 /nfs/dbraw/zinc/72/37/51/448723751.db2.gz BUJWKDMGLIIJRD-XLIONFOSSA-N 2 2 345.487 1.954 20 0 EDADLP COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000567677294 448734188 /nfs/dbraw/zinc/73/41/88/448734188.db2.gz OSKVALXZTRNCMJ-HIFRSBDPSA-N 2 2 333.388 1.088 20 0 EDADLP C/C=C\c1ccc(OC[C@@H](O)C[NH2+]CCn2cc[nH+]c2)c(OC)c1 ZINC000573914041 448744103 /nfs/dbraw/zinc/74/41/03/448744103.db2.gz POOWDEDECFBCFI-QGZUEGPWSA-N 2 2 331.416 1.954 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000579478900 448804709 /nfs/dbraw/zinc/80/47/09/448804709.db2.gz FHGJRFKJXRMARS-MRXNPFEDSA-N 2 2 348.491 1.795 20 0 EDADLP COCC1(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000567858219 448775608 /nfs/dbraw/zinc/77/56/08/448775608.db2.gz XTULMHLEAWERGX-UHFFFAOYSA-N 2 2 325.497 1.189 20 0 EDADLP COCC1(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000567858219 448775615 /nfs/dbraw/zinc/77/56/15/448775615.db2.gz XTULMHLEAWERGX-UHFFFAOYSA-N 2 2 325.497 1.189 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c2[nH+]ccn21 ZINC000529329251 448828023 /nfs/dbraw/zinc/82/80/23/448828023.db2.gz GRNWSYYDUCOTHH-KBMXLJTQSA-N 2 2 347.463 1.689 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000568236582 448840898 /nfs/dbraw/zinc/84/08/98/448840898.db2.gz PBSYDCIOQHXCBH-UHFFFAOYSA-N 2 2 329.404 1.794 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc(C(C)C)[nH+]1 ZINC000529365036 448842600 /nfs/dbraw/zinc/84/26/00/448842600.db2.gz FQOSCKRJPYUAQA-CABCVRRESA-N 2 2 346.479 1.856 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000529368974 448843908 /nfs/dbraw/zinc/84/39/08/448843908.db2.gz WBEMBSAPMCLXDM-OCCSQVGLSA-N 2 2 334.468 1.699 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000529384837 448851063 /nfs/dbraw/zinc/85/10/63/448851063.db2.gz JEGDZTFDBWIVOW-LSDHHAIUSA-N 2 2 347.463 1.097 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC(O)C1 ZINC000546800405 448851592 /nfs/dbraw/zinc/85/15/92/448851592.db2.gz BVBJIDCKUKEFNC-UHFFFAOYSA-N 2 2 349.500 1.629 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC(O)C1 ZINC000546800405 448851602 /nfs/dbraw/zinc/85/16/02/448851602.db2.gz BVBJIDCKUKEFNC-UHFFFAOYSA-N 2 2 349.500 1.629 20 0 EDADLP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000529387852 448852581 /nfs/dbraw/zinc/85/25/81/448852581.db2.gz QBARDCJQVIKCMI-HUUCEWRRSA-N 2 2 329.404 1.129 20 0 EDADLP Cc1ccccc1-c1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n(C)n1 ZINC000579688338 448853224 /nfs/dbraw/zinc/85/32/24/448853224.db2.gz NHULUYOXOFJYQJ-AWEZNQCLSA-N 2 2 342.447 1.502 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)[C@H](C)C1 ZINC000520232969 448876670 /nfs/dbraw/zinc/87/66/70/448876670.db2.gz TYMWBZBYXLAPNJ-HUUCEWRRSA-N 2 2 336.480 1.941 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)[C@H](C)C1 ZINC000520232969 448876674 /nfs/dbraw/zinc/87/66/74/448876674.db2.gz TYMWBZBYXLAPNJ-HUUCEWRRSA-N 2 2 336.480 1.941 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000579805542 448880733 /nfs/dbraw/zinc/88/07/33/448880733.db2.gz QPTLBNLMHKLFEX-IYBDPMFKSA-N 2 2 338.496 1.412 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000579805542 448880740 /nfs/dbraw/zinc/88/07/40/448880740.db2.gz QPTLBNLMHKLFEX-IYBDPMFKSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000592489675 448859488 /nfs/dbraw/zinc/85/94/88/448859488.db2.gz ZKFGTQGWKLQBSD-WFASDCNBSA-N 2 2 334.420 1.403 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000592489675 448859493 /nfs/dbraw/zinc/85/94/93/448859493.db2.gz ZKFGTQGWKLQBSD-WFASDCNBSA-N 2 2 334.420 1.403 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1 ZINC000569116243 448964843 /nfs/dbraw/zinc/96/48/43/448964843.db2.gz CEWQXAORKIQOMO-IBGZPJMESA-N 2 2 340.427 1.367 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2(c3ccc(F)cc3)CCCC2)[C@H](C[NH3+])C1 ZINC000568974112 448945935 /nfs/dbraw/zinc/94/59/35/448945935.db2.gz HKYRIVZWCMBYSR-QGZVFWFLSA-N 2 2 348.466 1.922 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3ccc(F)cc3)CCCC2)[C@H](C[NH3+])C1 ZINC000568974112 448945939 /nfs/dbraw/zinc/94/59/39/448945939.db2.gz HKYRIVZWCMBYSR-QGZVFWFLSA-N 2 2 348.466 1.922 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc2[nH+]1 ZINC000574973601 449001289 /nfs/dbraw/zinc/00/12/89/449001289.db2.gz YYPHTNOFJMPQLL-AEGPPILISA-N 2 2 341.415 1.167 20 0 EDADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000569377304 449016970 /nfs/dbraw/zinc/01/69/70/449016970.db2.gz UTABIIFIVUSIED-QGZVFWFLSA-N 3 2 336.524 1.393 20 0 EDADLP COc1ccc2nc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)sc2c1 ZINC000582133284 449019907 /nfs/dbraw/zinc/01/99/07/449019907.db2.gz QPVDIXZHYJQSGT-CMPLNLGQSA-N 2 2 332.429 1.049 20 0 EDADLP [NH3+]C1CCC(OCC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000521879996 449024417 /nfs/dbraw/zinc/02/44/17/449024417.db2.gz ZJZBWQXSNJRABB-UHFFFAOYSA-N 2 2 347.459 1.323 20 0 EDADLP Cc1nc(N)c(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c[nH+]1 ZINC000582183173 449032347 /nfs/dbraw/zinc/03/23/47/449032347.db2.gz CNHNEPZZGKLLGH-AWEZNQCLSA-N 2 2 335.477 1.201 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000521974561 449033367 /nfs/dbraw/zinc/03/33/67/449033367.db2.gz HZIARWHNVIDSET-YVSFHVDLSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000521974561 449033371 /nfs/dbraw/zinc/03/33/71/449033371.db2.gz HZIARWHNVIDSET-YVSFHVDLSA-N 2 2 338.496 1.364 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cc(F)c(Cl)cc2F)CC1 ZINC000574912631 448988483 /nfs/dbraw/zinc/98/84/83/448988483.db2.gz QAFVPILXPDJBKF-GFCCVEGCSA-N 2 2 333.810 1.316 20 0 EDADLP CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1C1CC1 ZINC000582348729 449070638 /nfs/dbraw/zinc/07/06/38/449070638.db2.gz POJLJAHYRDPPGY-CQSZACIVSA-N 2 2 334.468 1.523 20 0 EDADLP CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1C1CC1 ZINC000582348729 449070641 /nfs/dbraw/zinc/07/06/41/449070641.db2.gz POJLJAHYRDPPGY-CQSZACIVSA-N 2 2 334.468 1.523 20 0 EDADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000575172899 449053418 /nfs/dbraw/zinc/05/34/18/449053418.db2.gz SNDNNAOHNMKUQP-ZSYWTGECSA-N 3 2 337.508 1.111 20 0 EDADLP O=C1N[C@H]2C[N@H+](Cc3ncccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000530223559 449086510 /nfs/dbraw/zinc/08/65/10/449086510.db2.gz KMDHSFNYAFLFDL-JKSUJKDBSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@H]2C[N@@H+](Cc3ncccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000530223559 449086513 /nfs/dbraw/zinc/08/65/13/449086513.db2.gz KMDHSFNYAFLFDL-JKSUJKDBSA-N 2 2 349.866 1.455 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000530222979 449086973 /nfs/dbraw/zinc/08/69/73/449086973.db2.gz KNQFOALDRSJLGT-UHFFFAOYSA-N 2 2 338.402 1.767 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([S@](C)=O)cc1 ZINC000597942746 449152220 /nfs/dbraw/zinc/15/22/20/449152220.db2.gz MSWTYTVJGRHANL-PSLXWICFSA-N 2 2 339.505 1.426 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([S@](C)=O)cc1 ZINC000597942746 449152223 /nfs/dbraw/zinc/15/22/23/449152223.db2.gz MSWTYTVJGRHANL-PSLXWICFSA-N 2 2 339.505 1.426 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc([S@@](C)=O)c1 ZINC000597943119 449152782 /nfs/dbraw/zinc/15/27/82/449152782.db2.gz UODKIBKSSAWLNA-LFVRLGFBSA-N 2 2 339.505 1.426 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc([S@@](C)=O)c1 ZINC000597943119 449152785 /nfs/dbraw/zinc/15/27/85/449152785.db2.gz UODKIBKSSAWLNA-LFVRLGFBSA-N 2 2 339.505 1.426 20 0 EDADLP COC(=O)c1cccc(OCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595865704 449217775 /nfs/dbraw/zinc/21/77/75/449217775.db2.gz JELXXAGNKUKHNP-KRWDZBQOSA-N 2 2 348.443 1.383 20 0 EDADLP COC(=O)c1cccc(OCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595865704 449217777 /nfs/dbraw/zinc/21/77/77/449217777.db2.gz JELXXAGNKUKHNP-KRWDZBQOSA-N 2 2 348.443 1.383 20 0 EDADLP CCOC(=O)c1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000600107413 449193555 /nfs/dbraw/zinc/19/35/55/449193555.db2.gz KYQHDISPSSFFDQ-UHFFFAOYSA-N 2 2 346.475 1.472 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C[C@H]1C[NH3+] ZINC000593315634 449223693 /nfs/dbraw/zinc/22/36/93/449223693.db2.gz JQTJZKUNULEVTP-UKRRQHHQSA-N 2 2 326.824 1.922 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2Cl)C[C@H]1C[NH3+] ZINC000593315634 449223699 /nfs/dbraw/zinc/22/36/99/449223699.db2.gz JQTJZKUNULEVTP-UKRRQHHQSA-N 2 2 326.824 1.922 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(CC(=O)OC)cc[nH+]2)CC1 ZINC000596076786 449350670 /nfs/dbraw/zinc/35/06/70/449350670.db2.gz PIMIDMUFRICYKF-UHFFFAOYSA-N 2 2 348.447 1.200 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000605185840 449356329 /nfs/dbraw/zinc/35/63/29/449356329.db2.gz XMPZSDITWURFEB-DLBZAZTESA-N 2 2 345.491 1.193 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000605185840 449356334 /nfs/dbraw/zinc/35/63/34/449356334.db2.gz XMPZSDITWURFEB-DLBZAZTESA-N 2 2 345.491 1.193 20 0 EDADLP O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611740250 449403267 /nfs/dbraw/zinc/40/32/67/449403267.db2.gz LGOQBIDZENLNPY-HNNXBMFYSA-N 2 2 346.475 1.618 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611740250 449403272 /nfs/dbraw/zinc/40/32/72/449403272.db2.gz LGOQBIDZENLNPY-HNNXBMFYSA-N 2 2 346.475 1.618 20 0 EDADLP COc1ccc(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000602283951 449490540 /nfs/dbraw/zinc/49/05/40/449490540.db2.gz YAZSHTDEIDKDQU-AWEZNQCLSA-N 2 2 333.436 1.380 20 0 EDADLP COc1ccc(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000602283951 449490544 /nfs/dbraw/zinc/49/05/44/449490544.db2.gz YAZSHTDEIDKDQU-AWEZNQCLSA-N 2 2 333.436 1.380 20 0 EDADLP C[C@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H](C)O1 ZINC000612057768 449545256 /nfs/dbraw/zinc/54/52/56/449545256.db2.gz QRYJTBIITHLGFM-CAOSSQGBSA-N 2 2 334.464 1.529 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400318 449494919 /nfs/dbraw/zinc/49/49/19/449494919.db2.gz BCCCYDRVRPSNOG-HRCADAONSA-N 2 2 345.553 1.675 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400318 449494924 /nfs/dbraw/zinc/49/49/24/449494924.db2.gz BCCCYDRVRPSNOG-HRCADAONSA-N 2 2 345.553 1.675 20 0 EDADLP C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000606702251 449511193 /nfs/dbraw/zinc/51/11/93/449511193.db2.gz SUFGELYMPZGATE-HNNXBMFYSA-N 2 2 331.464 1.644 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)n2c1CCCC2 ZINC000598645015 449515210 /nfs/dbraw/zinc/51/52/10/449515210.db2.gz XBBDPOPNSQKAOL-LBPRGKRZSA-N 2 2 328.416 1.981 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)n2c1CCCC2 ZINC000598645015 449515214 /nfs/dbraw/zinc/51/52/14/449515214.db2.gz XBBDPOPNSQKAOL-LBPRGKRZSA-N 2 2 328.416 1.981 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607145925 449578022 /nfs/dbraw/zinc/57/80/22/449578022.db2.gz DGUPHEHJCOAJGP-AWEZNQCLSA-N 2 2 343.435 1.017 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607145925 449578031 /nfs/dbraw/zinc/57/80/31/449578031.db2.gz DGUPHEHJCOAJGP-AWEZNQCLSA-N 2 2 343.435 1.017 20 0 EDADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC(n2cc[nH+]c2)C1 ZINC000607342223 449598646 /nfs/dbraw/zinc/59/86/46/449598646.db2.gz OXMJZVYMPAUNTL-QGZVFWFLSA-N 2 2 326.400 1.167 20 0 EDADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC(n2cc[nH+]c2)C1 ZINC000607342223 449598652 /nfs/dbraw/zinc/59/86/52/449598652.db2.gz OXMJZVYMPAUNTL-QGZVFWFLSA-N 2 2 326.400 1.167 20 0 EDADLP C[C@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607356212 449602671 /nfs/dbraw/zinc/60/26/71/449602671.db2.gz CEMVGJSVRXYOCR-RDJZCZTQSA-N 2 2 341.459 2.244 20 0 EDADLP C[C@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607356212 449602677 /nfs/dbraw/zinc/60/26/77/449602677.db2.gz CEMVGJSVRXYOCR-RDJZCZTQSA-N 2 2 341.459 2.244 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n1C ZINC000602489017 449629566 /nfs/dbraw/zinc/62/95/66/449629566.db2.gz YETIABLICQAIGS-YSVLISHTSA-N 2 2 335.448 1.495 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n1C ZINC000602489017 449629570 /nfs/dbraw/zinc/62/95/70/449629570.db2.gz YETIABLICQAIGS-YSVLISHTSA-N 2 2 335.448 1.495 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600960462 449616899 /nfs/dbraw/zinc/61/68/99/449616899.db2.gz ABBGIJKPMPXGGV-RYUDHWBXSA-N 2 2 327.384 1.971 20 0 EDADLP CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000600971359 449624666 /nfs/dbraw/zinc/62/46/66/449624666.db2.gz YQJLKNYGXMRZGT-UHFFFAOYSA-N 2 2 349.479 1.756 20 0 EDADLP CCN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617554886 449685243 /nfs/dbraw/zinc/68/52/43/449685243.db2.gz LVYFIYPSSUKEPD-LJQANCHMSA-N 2 2 344.503 1.600 20 0 EDADLP CCN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000617554886 449685262 /nfs/dbraw/zinc/68/52/62/449685262.db2.gz LVYFIYPSSUKEPD-LJQANCHMSA-N 2 2 344.503 1.600 20 0 EDADLP CCCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000594738565 449657839 /nfs/dbraw/zinc/65/78/39/449657839.db2.gz GTCOVXIOYGJFLC-CVEARBPZSA-N 2 2 347.459 1.618 20 0 EDADLP CCCCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000594738565 449657847 /nfs/dbraw/zinc/65/78/47/449657847.db2.gz GTCOVXIOYGJFLC-CVEARBPZSA-N 2 2 347.459 1.618 20 0 EDADLP COc1ccc(COCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000607751682 449643166 /nfs/dbraw/zinc/64/31/66/449643166.db2.gz BPSPHMQOENYHQI-SFHVURJKSA-N 2 2 334.460 1.866 20 0 EDADLP COc1ccc(COCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000607751682 449643174 /nfs/dbraw/zinc/64/31/74/449643174.db2.gz BPSPHMQOENYHQI-SFHVURJKSA-N 2 2 334.460 1.866 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000612431551 449700338 /nfs/dbraw/zinc/70/03/38/449700338.db2.gz MWSYLJNPYORHPG-RDJZCZTQSA-N 2 2 332.448 1.159 20 0 EDADLP CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601253770 449776976 /nfs/dbraw/zinc/77/69/76/449776976.db2.gz DHHXHKBZPVFBSQ-INIZCTEOSA-N 2 2 331.464 1.640 20 0 EDADLP Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000602666796 449739848 /nfs/dbraw/zinc/73/98/48/449739848.db2.gz KPOUJOJNAKILJP-LLVKDONJSA-N 2 2 331.420 1.746 20 0 EDADLP Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000602666796 449739850 /nfs/dbraw/zinc/73/98/50/449739850.db2.gz KPOUJOJNAKILJP-LLVKDONJSA-N 2 2 331.420 1.746 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000594946624 449817119 /nfs/dbraw/zinc/81/71/19/449817119.db2.gz PFARMSTWJJCLLJ-IRXDYDNUSA-N 2 2 348.495 1.083 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000594946624 449817124 /nfs/dbraw/zinc/81/71/24/449817124.db2.gz PFARMSTWJJCLLJ-IRXDYDNUSA-N 2 2 348.495 1.083 20 0 EDADLP COc1cccc2[nH]cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c21 ZINC000617764636 449825333 /nfs/dbraw/zinc/82/53/33/449825333.db2.gz ATOQTYMMGWREFX-UHFFFAOYSA-N 2 2 346.475 1.719 20 0 EDADLP COc1cccc2[nH]cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c21 ZINC000617764636 449825337 /nfs/dbraw/zinc/82/53/37/449825337.db2.gz ATOQTYMMGWREFX-UHFFFAOYSA-N 2 2 346.475 1.719 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccn(-c2ccccc2)n1 ZINC000617766018 449829734 /nfs/dbraw/zinc/82/97/34/449829734.db2.gz ZGWFTWBWSGSXLK-UHFFFAOYSA-N 2 2 343.475 1.415 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccn(-c2ccccc2)n1 ZINC000617766018 449829736 /nfs/dbraw/zinc/82/97/36/449829736.db2.gz ZGWFTWBWSGSXLK-UHFFFAOYSA-N 2 2 343.475 1.415 20 0 EDADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000617767168 449831207 /nfs/dbraw/zinc/83/12/07/449831207.db2.gz JJIOQDZCXOKVEY-QGZVFWFLSA-N 3 2 326.529 1.497 20 0 EDADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000617767168 449831211 /nfs/dbraw/zinc/83/12/11/449831211.db2.gz JJIOQDZCXOKVEY-QGZVFWFLSA-N 3 2 326.529 1.497 20 0 EDADLP Cc1cccc(NC(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617767359 449831292 /nfs/dbraw/zinc/83/12/92/449831292.db2.gz QUTHFIDEHZXGOT-UHFFFAOYSA-N 2 2 349.479 1.116 20 0 EDADLP Cc1cccc(NC(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617767359 449831296 /nfs/dbraw/zinc/83/12/96/449831296.db2.gz QUTHFIDEHZXGOT-UHFFFAOYSA-N 2 2 349.479 1.116 20 0 EDADLP CCOC(=O)c1cnn(C2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)c1 ZINC000597137493 449832415 /nfs/dbraw/zinc/83/24/15/449832415.db2.gz UBYYVSCSKRUCSE-UHFFFAOYSA-N 2 2 331.420 1.939 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1nc2ccccc2o1 ZINC000617768578 449833248 /nfs/dbraw/zinc/83/32/48/449833248.db2.gz KICWFKSIJHZSIH-UHFFFAOYSA-N 2 2 332.448 1.760 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1nc2ccccc2o1 ZINC000617768578 449833252 /nfs/dbraw/zinc/83/32/52/449833252.db2.gz KICWFKSIJHZSIH-UHFFFAOYSA-N 2 2 332.448 1.760 20 0 EDADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875722 449790457 /nfs/dbraw/zinc/79/04/57/449790457.db2.gz VWLGQJVCIOKXMZ-MRVWCRGKSA-N 2 2 327.388 1.041 20 0 EDADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875722 449790460 /nfs/dbraw/zinc/79/04/60/449790460.db2.gz VWLGQJVCIOKXMZ-MRVWCRGKSA-N 2 2 327.388 1.041 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3ccccc3C(F)(F)F)CCN2C1=O ZINC000594875017 449790493 /nfs/dbraw/zinc/79/04/93/449790493.db2.gz IHMWMHFXXODCTP-AAEUAGOBSA-N 2 2 343.349 1.328 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)CCN2C1=O ZINC000594875017 449790500 /nfs/dbraw/zinc/79/05/00/449790500.db2.gz IHMWMHFXXODCTP-AAEUAGOBSA-N 2 2 343.349 1.328 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C[NH+]1CCN(C)CC1 ZINC000608709214 449917061 /nfs/dbraw/zinc/91/70/61/449917061.db2.gz URGHXRCUSCKGGW-IAGOWNOFSA-N 2 2 348.495 1.113 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000615109200 449960580 /nfs/dbraw/zinc/96/05/80/449960580.db2.gz RITQDHKGCQEAAB-MAUKXSAKSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000615109200 449960586 /nfs/dbraw/zinc/96/05/86/449960586.db2.gz RITQDHKGCQEAAB-MAUKXSAKSA-N 2 2 340.427 1.651 20 0 EDADLP OCCNc1nc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]c2ccccc21 ZINC000601513469 450035024 /nfs/dbraw/zinc/03/50/24/450035024.db2.gz YNRBBHGNCIDPBD-UHFFFAOYSA-N 2 2 338.415 2.141 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595394387 450108893 /nfs/dbraw/zinc/10/88/93/450108893.db2.gz WMRZDUGYAFWWBM-KGLIPLIRSA-N 2 2 348.447 1.152 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595394387 450108896 /nfs/dbraw/zinc/10/88/96/450108896.db2.gz WMRZDUGYAFWWBM-KGLIPLIRSA-N 2 2 348.447 1.152 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615559333 450147115 /nfs/dbraw/zinc/14/71/15/450147115.db2.gz XTOSNQRWSBHFOJ-HOTGVXAUSA-N 2 2 334.464 1.720 20 0 EDADLP COC(=O)[C@@](C)(O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595551955 450225454 /nfs/dbraw/zinc/22/54/54/450225454.db2.gz LYNIJIBVKSUYDV-SFHVURJKSA-N 2 2 331.416 1.741 20 0 EDADLP COC(=O)c1cnc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000603300884 450226611 /nfs/dbraw/zinc/22/66/11/450226611.db2.gz SGTXEKPFPNTSOD-UHFFFAOYSA-N 2 2 347.463 1.625 20 0 EDADLP CC(C)(C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1c[nH]c[nH+]1 ZINC000619969152 450386885 /nfs/dbraw/zinc/38/68/85/450386885.db2.gz XKQYPBFUFSXNSZ-UKRRQHHQSA-N 2 2 332.448 1.447 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC000625722117 450487442 /nfs/dbraw/zinc/48/74/42/450487442.db2.gz UQWDXQPJABMDLZ-KRWDZBQOSA-N 2 2 346.475 1.325 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)Cn1cc[nH+]c1 ZINC000625751664 450495635 /nfs/dbraw/zinc/49/56/35/450495635.db2.gz LIPIAVJPLNAHSZ-BPQIPLTHSA-N 2 2 326.444 1.981 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)Cn1cc[nH+]c1 ZINC000625751664 450495637 /nfs/dbraw/zinc/49/56/37/450495637.db2.gz LIPIAVJPLNAHSZ-BPQIPLTHSA-N 2 2 326.444 1.981 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3[nH+]ccn3C)CC2)CC1 ZINC000620605666 450520742 /nfs/dbraw/zinc/52/07/42/450520742.db2.gz IHGHSUJLAAWTCS-OAHLLOKOSA-N 3 2 347.507 1.794 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)CC1(C)C ZINC000623470565 450526467 /nfs/dbraw/zinc/52/64/67/450526467.db2.gz QATVXRHPBCFQNO-STQMWFEESA-N 2 2 346.518 1.345 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)CC1(C)C ZINC000623470565 450526470 /nfs/dbraw/zinc/52/64/70/450526470.db2.gz QATVXRHPBCFQNO-STQMWFEESA-N 2 2 346.518 1.345 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626075828 450569492 /nfs/dbraw/zinc/56/94/92/450569492.db2.gz WFFZCAAWRQZUPX-IBGZPJMESA-N 2 2 344.503 1.987 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626075828 450569493 /nfs/dbraw/zinc/56/94/93/450569493.db2.gz WFFZCAAWRQZUPX-IBGZPJMESA-N 2 2 344.503 1.987 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726943 450574365 /nfs/dbraw/zinc/57/43/65/450574365.db2.gz HOZGDGUTCOOEPP-CABCVRRESA-N 2 2 348.495 2.102 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726943 450574367 /nfs/dbraw/zinc/57/43/67/450574367.db2.gz HOZGDGUTCOOEPP-CABCVRRESA-N 2 2 348.495 2.102 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000631477685 450615053 /nfs/dbraw/zinc/61/50/53/450615053.db2.gz NQPAZMKSXQAYFD-MRXNPFEDSA-N 2 2 347.507 1.996 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000631477685 450615056 /nfs/dbraw/zinc/61/50/56/450615056.db2.gz NQPAZMKSXQAYFD-MRXNPFEDSA-N 2 2 347.507 1.996 20 0 EDADLP CCO[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC1 ZINC000626270272 450655798 /nfs/dbraw/zinc/65/57/98/450655798.db2.gz TZHVRDFJPYNUPT-WFFDWFOESA-N 2 2 335.492 1.571 20 0 EDADLP CCO[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC1 ZINC000626270272 450655802 /nfs/dbraw/zinc/65/58/02/450655802.db2.gz TZHVRDFJPYNUPT-WFFDWFOESA-N 2 2 335.492 1.571 20 0 EDADLP Cn1ccc2ccc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cc21 ZINC000631624405 450682221 /nfs/dbraw/zinc/68/22/21/450682221.db2.gz FYGZWAPJBMMAOO-UHFFFAOYSA-N 2 2 328.460 1.934 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1C)CC2 ZINC000629455079 450695955 /nfs/dbraw/zinc/69/59/55/450695955.db2.gz FFRGEMKANGYLQP-INIZCTEOSA-N 2 2 347.459 1.272 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1C)CC2 ZINC000629455079 450695959 /nfs/dbraw/zinc/69/59/59/450695959.db2.gz FFRGEMKANGYLQP-INIZCTEOSA-N 2 2 347.459 1.272 20 0 EDADLP COc1cc2c(cc1OC)C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000629455079 450695963 /nfs/dbraw/zinc/69/59/63/450695963.db2.gz FFRGEMKANGYLQP-INIZCTEOSA-N 2 2 347.459 1.272 20 0 EDADLP COc1cc2c(cc1OC)C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1C)CC2 ZINC000629455079 450695968 /nfs/dbraw/zinc/69/59/68/450695968.db2.gz FFRGEMKANGYLQP-INIZCTEOSA-N 2 2 347.459 1.272 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560322 450735966 /nfs/dbraw/zinc/73/59/66/450735966.db2.gz QWMFOVBLQSZFAY-UXHICEINSA-N 3 2 331.504 1.597 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560322 450735972 /nfs/dbraw/zinc/73/59/72/450735972.db2.gz QWMFOVBLQSZFAY-UXHICEINSA-N 3 2 331.504 1.597 20 0 EDADLP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629575439 450743806 /nfs/dbraw/zinc/74/38/06/450743806.db2.gz NOFIIVUTOVCSAC-UHFFFAOYSA-N 2 2 329.828 1.503 20 0 EDADLP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629575439 450743808 /nfs/dbraw/zinc/74/38/08/450743808.db2.gz NOFIIVUTOVCSAC-UHFFFAOYSA-N 2 2 329.828 1.503 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000629653604 450772643 /nfs/dbraw/zinc/77/26/43/450772643.db2.gz KPIWADGOSJIRCU-UHFFFAOYSA-N 2 2 341.818 1.728 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000629653604 450772646 /nfs/dbraw/zinc/77/26/46/450772646.db2.gz KPIWADGOSJIRCU-UHFFFAOYSA-N 2 2 341.818 1.728 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](O)[C@@H]3CCCO3)c2cc1C ZINC000629590024 450751080 /nfs/dbraw/zinc/75/10/80/450751080.db2.gz ISTWXJMRCMDIRA-OLMNPRSZSA-N 2 2 333.432 1.144 20 0 EDADLP Cc1sccc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000635209120 450751577 /nfs/dbraw/zinc/75/15/77/450751577.db2.gz MMHFWKXKRPXHBA-LBPRGKRZSA-N 2 2 340.493 1.383 20 0 EDADLP Cc1sccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000635209120 450751581 /nfs/dbraw/zinc/75/15/81/450751581.db2.gz MMHFWKXKRPXHBA-LBPRGKRZSA-N 2 2 340.493 1.383 20 0 EDADLP Cn1cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c(C2CCCCC2)n1 ZINC000629653140 450771691 /nfs/dbraw/zinc/77/16/91/450771691.db2.gz OBXQXBNTVYQOIU-UHFFFAOYSA-N 2 2 330.436 1.712 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc2ccccc2n2c[nH+]cc12 ZINC000624286164 450781601 /nfs/dbraw/zinc/78/16/01/450781601.db2.gz LRCSBYYKDBTKEQ-ZIAGYGMSSA-N 2 2 325.416 1.774 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1nc2ccccc2n2c[nH+]cc12 ZINC000624286164 450781604 /nfs/dbraw/zinc/78/16/04/450781604.db2.gz LRCSBYYKDBTKEQ-ZIAGYGMSSA-N 2 2 325.416 1.774 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635281757 450812282 /nfs/dbraw/zinc/81/22/82/450812282.db2.gz XQBDAGMXRJNVBQ-UHFFFAOYSA-N 2 2 332.404 1.276 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635281757 450812287 /nfs/dbraw/zinc/81/22/87/450812287.db2.gz XQBDAGMXRJNVBQ-UHFFFAOYSA-N 2 2 332.404 1.276 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000631851337 450825900 /nfs/dbraw/zinc/82/59/00/450825900.db2.gz WXGQEUUUWZVDMP-UHFFFAOYSA-N 2 2 326.466 1.336 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865125 450834145 /nfs/dbraw/zinc/83/41/45/450834145.db2.gz ZQDXRFMLLWAZRJ-ZDUSSCGKSA-N 2 2 339.867 1.391 20 0 EDADLP Cc1cc(C)c(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C)[nH+]1 ZINC000626568218 450802844 /nfs/dbraw/zinc/80/28/44/450802844.db2.gz CGGQRTMNPFQXAT-AWEZNQCLSA-N 2 2 333.436 1.468 20 0 EDADLP Cc1cc(C)c(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c(C)[nH+]1 ZINC000626568218 450802848 /nfs/dbraw/zinc/80/28/48/450802848.db2.gz CGGQRTMNPFQXAT-AWEZNQCLSA-N 2 2 333.436 1.468 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885556 450845573 /nfs/dbraw/zinc/84/55/73/450845573.db2.gz BTVIZKTUMGFANQ-RDJZCZTQSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885556 450845578 /nfs/dbraw/zinc/84/55/78/450845578.db2.gz BTVIZKTUMGFANQ-RDJZCZTQSA-N 2 2 331.460 1.728 20 0 EDADLP CC[C@H](C(=O)N(CC)C1CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000627616455 450847561 /nfs/dbraw/zinc/84/75/61/450847561.db2.gz QBCVBOPRRWDTKE-DLBZAZTESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N(CC)C1CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000627616455 450847563 /nfs/dbraw/zinc/84/75/63/450847563.db2.gz QBCVBOPRRWDTKE-DLBZAZTESA-N 2 2 325.497 1.819 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631886171 450847583 /nfs/dbraw/zinc/84/75/83/450847583.db2.gz HLLJNCQUMBBBPF-NVXWUHKLSA-N 2 2 344.459 1.401 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631886171 450847586 /nfs/dbraw/zinc/84/75/86/450847586.db2.gz HLLJNCQUMBBBPF-NVXWUHKLSA-N 2 2 344.459 1.401 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886900 450848397 /nfs/dbraw/zinc/84/83/97/450848397.db2.gz KLYHXSHIMIEVDQ-PKOBYXMFSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886900 450848401 /nfs/dbraw/zinc/84/84/01/450848401.db2.gz KLYHXSHIMIEVDQ-PKOBYXMFSA-N 2 2 345.487 1.954 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887147 450848416 /nfs/dbraw/zinc/84/84/16/450848416.db2.gz MICVRZQWUPRHRW-WMLDXEAASA-N 2 2 338.473 1.543 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887147 450848421 /nfs/dbraw/zinc/84/84/21/450848421.db2.gz MICVRZQWUPRHRW-WMLDXEAASA-N 2 2 338.473 1.543 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)CC1 ZINC000633458369 450860414 /nfs/dbraw/zinc/86/04/14/450860414.db2.gz CMQDNPCLVOAUDF-QUCCMNQESA-N 2 2 349.519 1.964 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]34CCC[C@H]3OCC4)CC2)CC1 ZINC000633458369 450860417 /nfs/dbraw/zinc/86/04/17/450860417.db2.gz CMQDNPCLVOAUDF-QUCCMNQESA-N 2 2 349.519 1.964 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCc2ccc(-c3c[nH]c[nH+]3)cc2)n1 ZINC000633525928 450895956 /nfs/dbraw/zinc/89/59/56/450895956.db2.gz SYAGNIAECXCRBY-UHFFFAOYSA-N 2 2 338.415 1.765 20 0 EDADLP CC(C)C[C@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)n1cc[nH+]c1 ZINC000635470777 450969414 /nfs/dbraw/zinc/96/94/14/450969414.db2.gz CEXAWEMHRPNQHD-CYBMUJFWSA-N 2 2 348.451 1.966 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000624733211 450970216 /nfs/dbraw/zinc/97/02/16/450970216.db2.gz JQVGNKCSUMBJTG-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000624733211 450970218 /nfs/dbraw/zinc/97/02/18/450970218.db2.gz JQVGNKCSUMBJTG-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624733211 450970221 /nfs/dbraw/zinc/97/02/21/450970221.db2.gz JQVGNKCSUMBJTG-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624733211 450970225 /nfs/dbraw/zinc/97/02/25/450970225.db2.gz JQVGNKCSUMBJTG-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C12CCC[NH+](CCC1)C2 ZINC000635497389 450992629 /nfs/dbraw/zinc/99/26/29/450992629.db2.gz YOPFFSBAXFCRQO-UHFFFAOYSA-N 2 2 347.463 1.030 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635495362 450990444 /nfs/dbraw/zinc/99/04/44/450990444.db2.gz RLUSKFRWYGILNP-LBPRGKRZSA-N 2 2 348.369 1.604 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635495362 450990446 /nfs/dbraw/zinc/99/04/46/450990446.db2.gz RLUSKFRWYGILNP-LBPRGKRZSA-N 2 2 348.369 1.604 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C[NH2+]1 ZINC000626925467 451008616 /nfs/dbraw/zinc/00/86/16/451008616.db2.gz MREVHANQQHOTTN-KBAYOESNSA-N 2 2 346.475 1.500 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CCCF)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000627961655 451055050 /nfs/dbraw/zinc/05/50/50/451055050.db2.gz GQDAERVTWXXICR-CVEARBPZSA-N 2 2 329.460 1.380 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CCCF)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000627961655 451055052 /nfs/dbraw/zinc/05/50/52/451055052.db2.gz GQDAERVTWXXICR-CVEARBPZSA-N 2 2 329.460 1.380 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000635633928 451123795 /nfs/dbraw/zinc/12/37/95/451123795.db2.gz NQSJDTWSEKDGRM-ZIFCJYIRSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000635633928 451123799 /nfs/dbraw/zinc/12/37/99/451123799.db2.gz NQSJDTWSEKDGRM-ZIFCJYIRSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000635633928 451123802 /nfs/dbraw/zinc/12/38/02/451123802.db2.gz NQSJDTWSEKDGRM-ZIFCJYIRSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000635633928 451123806 /nfs/dbraw/zinc/12/38/06/451123806.db2.gz NQSJDTWSEKDGRM-ZIFCJYIRSA-N 2 2 343.471 1.965 20 0 EDADLP Cc1cc(NCCNC(=O)NCCCn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000630393827 451163549 /nfs/dbraw/zinc/16/35/49/451163549.db2.gz HURWTIGWIKWXSC-UHFFFAOYSA-N 2 2 345.451 1.906 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000635680287 451165251 /nfs/dbraw/zinc/16/52/51/451165251.db2.gz HKSMVLDGYYUKAF-ARFHVFGLSA-N 2 2 332.448 1.617 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000635680287 451165256 /nfs/dbraw/zinc/16/52/56/451165256.db2.gz HKSMVLDGYYUKAF-ARFHVFGLSA-N 2 2 332.448 1.617 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc2[nH+]1 ZINC000635722229 451198680 /nfs/dbraw/zinc/19/86/80/451198680.db2.gz ULTNRKTTXYEAND-GVDBMIGSSA-N 2 2 342.443 1.966 20 0 EDADLP C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194650 451231353 /nfs/dbraw/zinc/23/13/53/451231353.db2.gz MPYWQKQZUAJZEQ-GDBMZVCRSA-N 2 2 348.447 1.356 20 0 EDADLP Cc1cc(COCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)on1 ZINC000634195125 451231784 /nfs/dbraw/zinc/23/17/84/451231784.db2.gz YSCUYENWNTTZRM-UHFFFAOYSA-N 2 2 345.403 1.285 20 0 EDADLP Cn1nccc1CCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193660 451229324 /nfs/dbraw/zinc/22/93/24/451229324.db2.gz LROONZTVQJOXTO-UHFFFAOYSA-N 2 2 328.420 1.138 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632300558 451184365 /nfs/dbraw/zinc/18/43/65/451184365.db2.gz WJQQAGCSUBGFSU-CQSZACIVSA-N 2 2 340.493 1.854 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000638089092 451254085 /nfs/dbraw/zinc/25/40/85/451254085.db2.gz RVQRQVIBXCYIPB-KDURUIRLSA-N 2 2 332.444 1.761 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000638089092 451254088 /nfs/dbraw/zinc/25/40/88/451254088.db2.gz RVQRQVIBXCYIPB-KDURUIRLSA-N 2 2 332.444 1.761 20 0 EDADLP NC(=O)C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000628474268 451262401 /nfs/dbraw/zinc/26/24/01/451262401.db2.gz RAQHKQNKVCRKCP-GOSISDBHSA-N 2 2 347.459 1.237 20 0 EDADLP NC(=O)C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000628474268 451262407 /nfs/dbraw/zinc/26/24/07/451262407.db2.gz RAQHKQNKVCRKCP-GOSISDBHSA-N 2 2 347.459 1.237 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000630586280 451264438 /nfs/dbraw/zinc/26/44/38/451264438.db2.gz HEKRNNLPWBPMEM-UHFFFAOYSA-N 2 2 347.488 1.464 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638099320 451265073 /nfs/dbraw/zinc/26/50/73/451265073.db2.gz SUWWSZWSDJFRQS-LPHOPBHVSA-N 2 2 347.459 1.106 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)cc2[nH+]1 ZINC000635835020 451284186 /nfs/dbraw/zinc/28/41/86/451284186.db2.gz QTIDURLPULUUKL-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)cc2[nH+]1 ZINC000635835020 451284190 /nfs/dbraw/zinc/28/41/90/451284190.db2.gz QTIDURLPULUUKL-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000638137386 451310249 /nfs/dbraw/zinc/31/02/49/451310249.db2.gz JQMWTPOMPBVORZ-PKOBYXMFSA-N 2 2 346.475 1.140 20 0 EDADLP CC(C)C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)n1cc[nH+]c1 ZINC000635919618 451364626 /nfs/dbraw/zinc/36/46/26/451364626.db2.gz LKBHXBNRBPMODQ-IXDOHACOSA-N 2 2 334.464 1.792 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246481 451379086 /nfs/dbraw/zinc/37/90/86/451379086.db2.gz FGQUPQLDGSJDCU-GFCCVEGCSA-N 2 2 330.354 1.979 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(S(N)(=O)=O)cc3F)CC[C@@H]21 ZINC000638181176 451341787 /nfs/dbraw/zinc/34/17/87/451341787.db2.gz XIXYVEKLMFGICE-BBRMVZONSA-N 2 2 341.452 1.389 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(S(N)(=O)=O)cc3F)CC[C@@H]21 ZINC000638181176 451341789 /nfs/dbraw/zinc/34/17/89/451341789.db2.gz XIXYVEKLMFGICE-BBRMVZONSA-N 2 2 341.452 1.389 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(S(N)(=O)=O)cc3F)CC[C@@H]21 ZINC000638181176 451341791 /nfs/dbraw/zinc/34/17/91/451341791.db2.gz XIXYVEKLMFGICE-BBRMVZONSA-N 2 2 341.452 1.389 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(S(N)(=O)=O)cc3F)CC[C@@H]21 ZINC000638181176 451341793 /nfs/dbraw/zinc/34/17/93/451341793.db2.gz XIXYVEKLMFGICE-BBRMVZONSA-N 2 2 341.452 1.389 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C)n1cc[nH+]c1 ZINC000635960711 451400380 /nfs/dbraw/zinc/40/03/80/451400380.db2.gz WIBSRSWRVPVKMD-ZACQAIPSSA-N 2 2 334.464 1.792 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C)n1cc[nH+]c1 ZINC000635960711 451400385 /nfs/dbraw/zinc/40/03/85/451400385.db2.gz WIBSRSWRVPVKMD-ZACQAIPSSA-N 2 2 334.464 1.792 20 0 EDADLP C[C@@](O)(C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000634642094 451433922 /nfs/dbraw/zinc/43/39/22/451433922.db2.gz FABBURQEKSIMQI-RTBURBONSA-N 2 2 333.476 1.548 20 0 EDADLP CO[C@@H](C[NH2+]CC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCOC1 ZINC000638358841 451459292 /nfs/dbraw/zinc/45/92/92/451459292.db2.gz CYRNMEJAOMBCJA-CVEARBPZSA-N 2 2 328.522 1.989 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccnc(C[NH+](C)C)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000640618060 451466307 /nfs/dbraw/zinc/46/63/07/451466307.db2.gz BQNNLNLXBFXVFI-SOUVJXGZSA-N 2 2 349.479 1.762 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccnc(C[NH+](C)C)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000640618060 451466314 /nfs/dbraw/zinc/46/63/14/451466314.db2.gz BQNNLNLXBFXVFI-SOUVJXGZSA-N 2 2 349.479 1.762 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638370239 451467431 /nfs/dbraw/zinc/46/74/31/451467431.db2.gz ATYFDTQQEJAPEX-STQMWFEESA-N 2 2 329.466 1.385 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000628917285 451479229 /nfs/dbraw/zinc/47/92/29/451479229.db2.gz CCRNGJRZEBWYSV-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000628917285 451479232 /nfs/dbraw/zinc/47/92/32/451479232.db2.gz CCRNGJRZEBWYSV-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000628917285 451479235 /nfs/dbraw/zinc/47/92/35/451479235.db2.gz CCRNGJRZEBWYSV-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000628917285 451479238 /nfs/dbraw/zinc/47/92/38/451479238.db2.gz CCRNGJRZEBWYSV-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cn1 ZINC000630916427 451481514 /nfs/dbraw/zinc/48/15/14/451481514.db2.gz LKMJMQFIOQSYFM-UHFFFAOYSA-N 2 2 344.341 1.134 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000628922505 451485296 /nfs/dbraw/zinc/48/52/96/451485296.db2.gz XDEIZEWEEQCYLR-AEFFLSMTSA-N 2 2 349.450 1.485 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000628922505 451485298 /nfs/dbraw/zinc/48/52/98/451485298.db2.gz XDEIZEWEEQCYLR-AEFFLSMTSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000628922505 451485303 /nfs/dbraw/zinc/48/53/03/451485303.db2.gz XDEIZEWEEQCYLR-AEFFLSMTSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000628922505 451485306 /nfs/dbraw/zinc/48/53/06/451485306.db2.gz XDEIZEWEEQCYLR-AEFFLSMTSA-N 2 2 349.450 1.485 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000634742575 451520829 /nfs/dbraw/zinc/52/08/29/451520829.db2.gz PYAQRPMLGRLDLV-KDURUIRLSA-N 2 2 345.491 1.090 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000638453806 451523575 /nfs/dbraw/zinc/52/35/75/451523575.db2.gz IWKPDNDRTBILGM-CABCVRRESA-N 2 2 334.489 1.604 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631059879 451562150 /nfs/dbraw/zinc/56/21/50/451562150.db2.gz RSLHBFBRNMGRRB-QGZVFWFLSA-N 2 2 347.507 1.331 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631059879 451562154 /nfs/dbraw/zinc/56/21/54/451562154.db2.gz RSLHBFBRNMGRRB-QGZVFWFLSA-N 2 2 347.507 1.331 20 0 EDADLP CCc1nc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc(C)[nH+]1 ZINC000634808094 451564129 /nfs/dbraw/zinc/56/41/29/451564129.db2.gz JEXCKFXELFQKHF-UHFFFAOYSA-N 2 2 327.436 1.426 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[C@@H]1C[NH3+] ZINC000634810810 451565463 /nfs/dbraw/zinc/56/54/63/451565463.db2.gz JOCHAUVHYUUEJH-QXSJWSMHSA-N 2 2 333.480 1.495 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C[C@@H]1C[NH3+] ZINC000634810810 451565465 /nfs/dbraw/zinc/56/54/65/451565465.db2.gz JOCHAUVHYUUEJH-QXSJWSMHSA-N 2 2 333.480 1.495 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H]4C[NH2+]CC[C@@H]43)nc[nH+]2)C1 ZINC000634813103 451566772 /nfs/dbraw/zinc/56/67/72/451566772.db2.gz ZHOZITCYVDCUQQ-JJXSEGSLSA-N 2 2 331.464 1.262 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H]4C[NH2+]CC[C@@H]43)[nH+]cn2)C1 ZINC000634813103 451566778 /nfs/dbraw/zinc/56/67/78/451566778.db2.gz ZHOZITCYVDCUQQ-JJXSEGSLSA-N 2 2 331.464 1.262 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]([NH3+])c2ccccc2)nc(C(C)C)[nH+]1 ZINC000638584249 451589235 /nfs/dbraw/zinc/58/92/35/451589235.db2.gz QZRADSBIJHWUFF-INIZCTEOSA-N 2 2 327.432 2.137 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000638584631 451590308 /nfs/dbraw/zinc/59/03/08/451590308.db2.gz VYOYBRFSHHOSQJ-JKSUJKDBSA-N 2 2 345.491 2.072 20 0 EDADLP COC[C@@]1(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CCCC[NH2+]1 ZINC000638584748 451590616 /nfs/dbraw/zinc/59/06/16/451590616.db2.gz PBMZTIFRPCCIAR-GOSISDBHSA-N 2 2 349.479 1.595 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000636939154 451622233 /nfs/dbraw/zinc/62/22/33/451622233.db2.gz AINPSXUQNVIWCA-HUUCEWRRSA-N 2 2 335.452 1.319 20 0 EDADLP O[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C12CCC2 ZINC000631175325 451625950 /nfs/dbraw/zinc/62/59/50/451625950.db2.gz MTPSBLSERBJZGO-MOPGFXCFSA-N 2 2 346.471 1.791 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638653528 451632753 /nfs/dbraw/zinc/63/27/53/451632753.db2.gz LITZYJJDFXJFFI-RDJZCZTQSA-N 3 2 339.528 1.314 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638653528 451632759 /nfs/dbraw/zinc/63/27/59/451632759.db2.gz LITZYJJDFXJFFI-RDJZCZTQSA-N 3 2 339.528 1.314 20 0 EDADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)sn1 ZINC000638679598 451647934 /nfs/dbraw/zinc/64/79/34/451647934.db2.gz ZMLVZIJJMLVIBW-KRWDZBQOSA-N 2 2 333.457 1.878 20 0 EDADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000638679598 451647940 /nfs/dbraw/zinc/64/79/40/451647940.db2.gz ZMLVZIJJMLVIBW-KRWDZBQOSA-N 2 2 333.457 1.878 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000636973161 451650715 /nfs/dbraw/zinc/65/07/15/451650715.db2.gz MFGQITYHXKAJAB-UHFFFAOYSA-N 2 2 346.475 1.647 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)[nH+]1 ZINC000636288272 451657841 /nfs/dbraw/zinc/65/78/41/451657841.db2.gz DDTYJJWSNRAMSA-UHFFFAOYSA-N 2 2 334.464 1.618 20 0 EDADLP CN(C(=O)c1cnn(C(F)F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246946 451660030 /nfs/dbraw/zinc/66/00/30/451660030.db2.gz MTGAVARZMYNIMU-CQSZACIVSA-N 2 2 341.406 1.519 20 0 EDADLP CN(C(=O)c1cnn(C(F)F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246946 451660033 /nfs/dbraw/zinc/66/00/33/451660033.db2.gz MTGAVARZMYNIMU-CQSZACIVSA-N 2 2 341.406 1.519 20 0 EDADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](CCc1ccccc1)C(F)F ZINC000638776065 451686534 /nfs/dbraw/zinc/68/65/34/451686534.db2.gz OVDREQXVKDTLOF-HUUCEWRRSA-N 2 2 327.419 1.990 20 0 EDADLP Cc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000631343897 451703732 /nfs/dbraw/zinc/70/37/32/451703732.db2.gz KAZRBRFHRDOGNI-GOSISDBHSA-N 2 2 327.432 1.740 20 0 EDADLP [NH3+][C@H](C(=O)NCc1cccc2c1CC[NH2+]C2)c1c(F)cccc1F ZINC000638846277 451708491 /nfs/dbraw/zinc/70/84/91/451708491.db2.gz SLFYDNPNASNBIU-KRWDZBQOSA-N 2 2 331.366 1.927 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732798 451669580 /nfs/dbraw/zinc/66/95/80/451669580.db2.gz ZDJYREUODXAVJA-LNLFQRSKSA-N 2 2 346.475 1.306 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732798 451669585 /nfs/dbraw/zinc/66/95/85/451669585.db2.gz ZDJYREUODXAVJA-LNLFQRSKSA-N 2 2 346.475 1.306 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1cccc(F)c1 ZINC000636472436 451725826 /nfs/dbraw/zinc/72/58/26/451725826.db2.gz CDULLYXCDWCNEP-GDBMZVCRSA-N 2 2 331.395 1.549 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000637138442 451738601 /nfs/dbraw/zinc/73/86/01/451738601.db2.gz NPTSFHOSYAMZFL-RYRKJORJSA-N 2 2 348.491 1.616 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C ZINC000637138442 451738603 /nfs/dbraw/zinc/73/86/03/451738603.db2.gz NPTSFHOSYAMZFL-RYRKJORJSA-N 2 2 348.491 1.616 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636500463 451739003 /nfs/dbraw/zinc/73/90/03/451739003.db2.gz ARZNVVXUOFQSNP-QGZVFWFLSA-N 2 2 339.443 1.903 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000637162638 451745045 /nfs/dbraw/zinc/74/50/45/451745045.db2.gz PJQZHRIWMYELOP-SFHVURJKSA-N 2 2 349.475 1.306 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000637162638 451745046 /nfs/dbraw/zinc/74/50/46/451745046.db2.gz PJQZHRIWMYELOP-SFHVURJKSA-N 2 2 349.475 1.306 20 0 EDADLP O=C(N[C@H]1CCC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000641073640 451745420 /nfs/dbraw/zinc/74/54/20/451745420.db2.gz LLAHXZQCNYUFPV-KRWDZBQOSA-N 2 2 346.475 1.535 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000639004240 451750989 /nfs/dbraw/zinc/75/09/89/451750989.db2.gz LIZYAHYPYGQOTI-LBPRGKRZSA-N 2 2 334.420 1.261 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003846 451751069 /nfs/dbraw/zinc/75/10/69/451751069.db2.gz KRVKRKQXCQFRRG-WMZOPIPTSA-N 2 2 331.464 1.071 20 0 EDADLP COCC[C@H]([NH3+])Cc1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000641130343 451757675 /nfs/dbraw/zinc/75/76/75/451757675.db2.gz QJPWMLTUXIZJAO-AWEZNQCLSA-N 2 2 326.404 1.418 20 0 EDADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639277422 451802974 /nfs/dbraw/zinc/80/29/74/451802974.db2.gz WOLMTHRQFSXOAI-SJLPKXTDSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639277422 451802975 /nfs/dbraw/zinc/80/29/75/451802975.db2.gz WOLMTHRQFSXOAI-SJLPKXTDSA-N 2 2 334.460 1.743 20 0 EDADLP CC(C)Oc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000644523082 451840595 /nfs/dbraw/zinc/84/05/95/451840595.db2.gz GVQJJTBDSUPVLC-INMHGKMJSA-N 2 2 337.464 1.429 20 0 EDADLP O=c1c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cccn1C(F)F ZINC000639326999 451827429 /nfs/dbraw/zinc/82/74/29/451827429.db2.gz GBTDRZJYZFLJCF-AWEZNQCLSA-N 2 2 327.375 1.586 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000644535271 451848451 /nfs/dbraw/zinc/84/84/51/451848451.db2.gz AQTKHOKVKZRFHT-CRAIPNDOSA-N 2 2 349.450 1.657 20 0 EDADLP COCCOCC[NH+]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000651485322 451859893 /nfs/dbraw/zinc/85/98/93/451859893.db2.gz XLTPYVBDPRBXAK-UHFFFAOYSA-N 2 2 333.436 1.360 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000641338663 451862427 /nfs/dbraw/zinc/86/24/27/451862427.db2.gz LYHKMHRLMYDUFC-HNNXBMFYSA-N 2 2 326.466 1.163 20 0 EDADLP Cc1ccc(O[C@H](C)C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000644577600 451871220 /nfs/dbraw/zinc/87/12/20/451871220.db2.gz ZZWQFRMBXKDDSZ-TVFCKZIOSA-N 2 2 336.476 1.822 20 0 EDADLP CC[N@H+](CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)Cc1ccccc1Cl ZINC000646853476 451889816 /nfs/dbraw/zinc/88/98/16/451889816.db2.gz GUGRDYWSACDIDO-CZUORRHYSA-N 2 2 339.867 1.737 20 0 EDADLP CC[N@@H+](CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)Cc1ccccc1Cl ZINC000646853476 451889824 /nfs/dbraw/zinc/88/98/24/451889824.db2.gz GUGRDYWSACDIDO-CZUORRHYSA-N 2 2 339.867 1.737 20 0 EDADLP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000649211264 451907143 /nfs/dbraw/zinc/90/71/43/451907143.db2.gz VTGRMWOQLVAWBK-AWEZNQCLSA-N 2 2 342.447 1.938 20 0 EDADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000649279849 451950865 /nfs/dbraw/zinc/95/08/65/451950865.db2.gz ZUNXHTUFGOJETR-XYPHTWIQSA-N 2 2 349.862 1.613 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC000639549866 451940195 /nfs/dbraw/zinc/94/01/95/451940195.db2.gz ILPKLSIZEOUJIN-KRWDZBQOSA-N 2 2 333.476 1.784 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC000639549866 451940199 /nfs/dbraw/zinc/94/01/99/451940199.db2.gz ILPKLSIZEOUJIN-KRWDZBQOSA-N 2 2 333.476 1.784 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000649285766 451958874 /nfs/dbraw/zinc/95/88/74/451958874.db2.gz RZICPXMFOBVRPY-LSDHHAIUSA-N 2 2 344.459 1.388 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641427564 451966584 /nfs/dbraw/zinc/96/65/84/451966584.db2.gz ZJPXDHPOEIMRST-RDJZCZTQSA-N 2 2 348.472 1.323 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641427564 451966586 /nfs/dbraw/zinc/96/65/86/451966586.db2.gz ZJPXDHPOEIMRST-RDJZCZTQSA-N 2 2 348.472 1.323 20 0 EDADLP C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000641432352 451971371 /nfs/dbraw/zinc/97/13/71/451971371.db2.gz ZCJPVZREMTZRJI-HOCLYGCPSA-N 2 2 336.461 1.494 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)COC3(C)C[NH2+]C3)CC2)s1 ZINC000649319649 451997993 /nfs/dbraw/zinc/99/79/93/451997993.db2.gz NYAVHOOUPPVYLO-UHFFFAOYSA-N 2 2 337.489 1.333 20 0 EDADLP CNC(=O)NC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639676844 452017926 /nfs/dbraw/zinc/01/79/26/452017926.db2.gz AEGRQDNHYPGDHN-LJQANCHMSA-N 2 2 346.475 1.017 20 0 EDADLP CNC(=O)NC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639676844 452017934 /nfs/dbraw/zinc/01/79/34/452017934.db2.gz AEGRQDNHYPGDHN-LJQANCHMSA-N 2 2 346.475 1.017 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)c3cn([C@@H]4CC[NH2+]C4)nn3)ccc2n1C ZINC000649343143 452022898 /nfs/dbraw/zinc/02/28/98/452022898.db2.gz IRWRCKIOJALLSA-GFCCVEGCSA-N 2 2 325.376 1.260 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000643044207 452025171 /nfs/dbraw/zinc/02/51/71/452025171.db2.gz PBWVEWNAEAQZSR-HOTGVXAUSA-N 2 2 331.464 1.529 20 0 EDADLP c1nc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(N2CCOCC2)[nH+]1 ZINC000643044207 452025176 /nfs/dbraw/zinc/02/51/76/452025176.db2.gz PBWVEWNAEAQZSR-HOTGVXAUSA-N 2 2 331.464 1.529 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653588468 452027457 /nfs/dbraw/zinc/02/74/57/452027457.db2.gz XQWHMOGXUDLAHS-KRWDZBQOSA-N 2 2 342.443 1.784 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653588468 452027460 /nfs/dbraw/zinc/02/74/60/452027460.db2.gz XQWHMOGXUDLAHS-KRWDZBQOSA-N 2 2 342.443 1.784 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)CCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000649348898 452032281 /nfs/dbraw/zinc/03/22/81/452032281.db2.gz DOGQYGGESPXBDH-AWEZNQCLSA-N 2 2 338.521 1.670 20 0 EDADLP FC(F)(F)COc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)nn1 ZINC000653644066 452056480 /nfs/dbraw/zinc/05/64/80/452056480.db2.gz LXTLIVLCMJJTKS-UHFFFAOYSA-N 2 2 342.325 1.463 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000649416449 452078575 /nfs/dbraw/zinc/07/85/75/452078575.db2.gz AMDTVSLLIVSJDL-SJLPKXTDSA-N 2 2 332.492 1.688 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000649416449 452078580 /nfs/dbraw/zinc/07/85/80/452078580.db2.gz AMDTVSLLIVSJDL-SJLPKXTDSA-N 2 2 332.492 1.688 20 0 EDADLP Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000649420483 452081934 /nfs/dbraw/zinc/08/19/34/452081934.db2.gz YIOHMMAXMWRXAV-CQSZACIVSA-N 2 2 325.420 1.461 20 0 EDADLP Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000649420483 452081938 /nfs/dbraw/zinc/08/19/38/452081938.db2.gz YIOHMMAXMWRXAV-CQSZACIVSA-N 2 2 325.420 1.461 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000643232540 452085704 /nfs/dbraw/zinc/08/57/04/452085704.db2.gz YCSPSIFXWSJXCO-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N(C)C[C@@H]3CCC[N@H+]3C)[nH+]c12 ZINC000643232540 452085713 /nfs/dbraw/zinc/08/57/13/452085713.db2.gz YCSPSIFXWSJXCO-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764491 452104830 /nfs/dbraw/zinc/10/48/30/452104830.db2.gz VUEQLVOYABEWBF-RDTXWAMCSA-N 2 2 337.439 1.219 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764491 452104835 /nfs/dbraw/zinc/10/48/35/452104835.db2.gz VUEQLVOYABEWBF-RDTXWAMCSA-N 2 2 337.439 1.219 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000649483301 452104987 /nfs/dbraw/zinc/10/49/87/452104987.db2.gz HNCQBDUVXQUQSV-KZNAEPCWSA-N 2 2 336.524 1.203 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000649483301 452104990 /nfs/dbraw/zinc/10/49/90/452104990.db2.gz HNCQBDUVXQUQSV-KZNAEPCWSA-N 2 2 336.524 1.203 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000639764510 452105930 /nfs/dbraw/zinc/10/59/30/452105930.db2.gz VWQXMDKCCBPTMN-SFHVURJKSA-N 2 2 330.432 1.668 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000639764510 452105931 /nfs/dbraw/zinc/10/59/31/452105931.db2.gz VWQXMDKCCBPTMN-SFHVURJKSA-N 2 2 330.432 1.668 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000649498218 452111412 /nfs/dbraw/zinc/11/14/12/452111412.db2.gz DJANMSYJMVOOEB-FUHWJXTLSA-N 2 2 341.459 1.840 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000649498218 452111419 /nfs/dbraw/zinc/11/14/19/452111419.db2.gz DJANMSYJMVOOEB-FUHWJXTLSA-N 2 2 341.459 1.840 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793545 452133660 /nfs/dbraw/zinc/13/36/60/452133660.db2.gz UWUHRQFQGWPDEP-SJORKVTESA-N 2 2 344.459 1.358 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793545 452133668 /nfs/dbraw/zinc/13/36/68/452133668.db2.gz UWUHRQFQGWPDEP-SJORKVTESA-N 2 2 344.459 1.358 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793545 452133671 /nfs/dbraw/zinc/13/36/71/452133671.db2.gz UWUHRQFQGWPDEP-SJORKVTESA-N 2 2 344.459 1.358 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793545 452133677 /nfs/dbraw/zinc/13/36/77/452133677.db2.gz UWUHRQFQGWPDEP-SJORKVTESA-N 2 2 344.459 1.358 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000641626523 452146636 /nfs/dbraw/zinc/14/66/36/452146636.db2.gz YARMHAUPOJZMKD-QWHCGFSZSA-N 2 2 341.468 1.223 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)C[C@@]1(C)CC1(F)F ZINC000641626523 452146641 /nfs/dbraw/zinc/14/66/41/452146641.db2.gz YARMHAUPOJZMKD-QWHCGFSZSA-N 2 2 341.468 1.223 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCO1 ZINC000651893516 452149180 /nfs/dbraw/zinc/14/91/80/452149180.db2.gz XEFVUWORVCOJHX-HNNXBMFYSA-N 2 2 334.464 1.379 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCO1 ZINC000651893516 452149186 /nfs/dbraw/zinc/14/91/86/452149186.db2.gz XEFVUWORVCOJHX-HNNXBMFYSA-N 2 2 334.464 1.379 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1([NH+](C)C)CC1 ZINC000639841372 452173100 /nfs/dbraw/zinc/17/31/00/452173100.db2.gz VEIOEJAKJRMZEW-UHFFFAOYSA-N 2 2 333.436 1.442 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cn21 ZINC000645175208 452194144 /nfs/dbraw/zinc/19/41/44/452194144.db2.gz TUPKXZXKNGNZPN-OAHLLOKOSA-N 2 2 341.459 1.969 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cn21 ZINC000645175208 452194147 /nfs/dbraw/zinc/19/41/47/452194147.db2.gz TUPKXZXKNGNZPN-OAHLLOKOSA-N 2 2 341.459 1.969 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(-n3cccn3)cc2)CC1=O ZINC000649688159 452198605 /nfs/dbraw/zinc/19/86/05/452198605.db2.gz SZENFBWRXJKUMX-UHFFFAOYSA-N 2 2 327.432 1.078 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)CC1=O ZINC000649688159 452198611 /nfs/dbraw/zinc/19/86/11/452198611.db2.gz SZENFBWRXJKUMX-UHFFFAOYSA-N 2 2 327.432 1.078 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000645222626 452219179 /nfs/dbraw/zinc/21/91/79/452219179.db2.gz WQAZBUMPWLYWKJ-DOTOQJQBSA-N 2 2 331.460 1.646 20 0 EDADLP [NH3+]CCOCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000645235768 452228096 /nfs/dbraw/zinc/22/80/96/452228096.db2.gz FAPRWYUCXCYDSN-UHFFFAOYSA-N 2 2 345.365 1.325 20 0 EDADLP COC1([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000641783939 452252367 /nfs/dbraw/zinc/25/23/67/452252367.db2.gz BATKQGDRPRUKCV-DLBZAZTESA-N 2 2 325.497 1.330 20 0 EDADLP CC[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1)[NH+](C)C ZINC000665695182 452253163 /nfs/dbraw/zinc/25/31/63/452253163.db2.gz UFYVRXLZBSFXIN-JKSUJKDBSA-N 2 2 330.432 1.975 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000657449277 452253627 /nfs/dbraw/zinc/25/36/27/452253627.db2.gz SPDJCAJLUJFNDC-MRXNPFEDSA-N 3 2 329.448 1.858 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000657449277 452253641 /nfs/dbraw/zinc/25/36/41/452253641.db2.gz SPDJCAJLUJFNDC-MRXNPFEDSA-N 3 2 329.448 1.858 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000665697862 452255614 /nfs/dbraw/zinc/25/56/14/452255614.db2.gz UUEMOCLCJLCEFI-HUUCEWRRSA-N 2 2 333.480 1.651 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000665697862 452255621 /nfs/dbraw/zinc/25/56/21/452255621.db2.gz UUEMOCLCJLCEFI-HUUCEWRRSA-N 2 2 333.480 1.651 20 0 EDADLP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786008 452256234 /nfs/dbraw/zinc/25/62/34/452256234.db2.gz HUGIZKYEVZIADB-PKOBYXMFSA-N 2 2 339.524 1.578 20 0 EDADLP Fc1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1F ZINC000641788067 452262318 /nfs/dbraw/zinc/26/23/18/452262318.db2.gz IDUWUBXXQNCVLU-MRXNPFEDSA-N 2 2 339.430 1.851 20 0 EDADLP COCc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000641788109 452262908 /nfs/dbraw/zinc/26/29/08/452262908.db2.gz JHCUKJPABPIFJJ-HXUWFJFHSA-N 2 2 347.503 1.719 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)[C@H](C)C1 ZINC000641788915 452267062 /nfs/dbraw/zinc/26/70/62/452267062.db2.gz WEZKADDFADNESR-QRVBRYPASA-N 3 2 338.540 1.103 20 0 EDADLP c1nc2ccccn2c1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789850 452268896 /nfs/dbraw/zinc/26/88/96/452268896.db2.gz YBNAPNBTLQEODA-KRWDZBQOSA-N 2 2 343.475 1.221 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1ccccc1F ZINC000655479240 452276460 /nfs/dbraw/zinc/27/64/60/452276460.db2.gz NGZIMLPGKKGRRU-DUVNUKRYSA-N 2 2 328.391 1.538 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000659434041 452282402 /nfs/dbraw/zinc/28/24/02/452282402.db2.gz IMWUTGCPEYHHJA-NVXWUHKLSA-N 2 2 334.464 1.275 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000639960156 452286607 /nfs/dbraw/zinc/28/66/07/452286607.db2.gz FHWJYPORVPQLAY-IBGZPJMESA-N 2 2 345.487 1.644 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000639960156 452286616 /nfs/dbraw/zinc/28/66/16/452286616.db2.gz FHWJYPORVPQLAY-IBGZPJMESA-N 2 2 345.487 1.644 20 0 EDADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488959 452287571 /nfs/dbraw/zinc/28/75/71/452287571.db2.gz KAZCJQRTEGKCJA-BSXFFOKHSA-N 2 2 331.460 1.487 20 0 EDADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488959 452287579 /nfs/dbraw/zinc/28/75/79/452287579.db2.gz KAZCJQRTEGKCJA-BSXFFOKHSA-N 2 2 331.460 1.487 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCc2[nH+]ccn2C)cc1 ZINC000659449231 452298683 /nfs/dbraw/zinc/29/86/83/452298683.db2.gz APGSDUVWPFUAHN-HOTGVXAUSA-N 2 2 343.431 1.374 20 0 EDADLP [NH3+]C[C@@]1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCOC1 ZINC000638049375 452318551 /nfs/dbraw/zinc/31/85/51/452318551.db2.gz DMOZLKUCOGVXLP-INIZCTEOSA-N 2 2 338.477 1.823 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000638054099 452335139 /nfs/dbraw/zinc/33/51/39/452335139.db2.gz DXBIAVHUZDWWHA-GOSISDBHSA-N 2 2 330.476 1.189 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000659476171 452335171 /nfs/dbraw/zinc/33/51/71/452335171.db2.gz SZGFBEWJWPLSRK-NZVBXONLSA-N 2 2 326.391 1.617 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000659476171 452335185 /nfs/dbraw/zinc/33/51/85/452335185.db2.gz SZGFBEWJWPLSRK-NZVBXONLSA-N 2 2 326.391 1.617 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659483717 452343708 /nfs/dbraw/zinc/34/37/08/452343708.db2.gz GCOZYYHIKVYGTP-CVEARBPZSA-N 2 2 331.464 1.619 20 0 EDADLP [NH3+]C[C@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCOC1 ZINC000638058695 452348174 /nfs/dbraw/zinc/34/81/74/452348174.db2.gz VZPSWYXXLHWRKZ-GOSISDBHSA-N 2 2 328.416 1.303 20 0 EDADLP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657579981 452349272 /nfs/dbraw/zinc/34/92/72/452349272.db2.gz RMSSIIJWJZPHKC-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000638062764 452357620 /nfs/dbraw/zinc/35/76/20/452357620.db2.gz WEGAZJNIEDCSIR-QAPCUYQASA-N 2 2 332.448 1.455 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647631411 452367135 /nfs/dbraw/zinc/36/71/35/452367135.db2.gz HZMQSTIOAYOMSG-IKGGRYGDSA-N 2 2 339.455 1.275 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647631411 452367143 /nfs/dbraw/zinc/36/71/43/452367143.db2.gz HZMQSTIOAYOMSG-IKGGRYGDSA-N 2 2 339.455 1.275 20 0 EDADLP C[C@H]1C[C@@H](Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000663705581 452444529 /nfs/dbraw/zinc/44/45/29/452444529.db2.gz XUVRKSFWRXEYBZ-UONOGXRCSA-N 2 2 331.464 1.865 20 0 EDADLP C[C@H]1C[C@@H](Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[N@H+]1C1CC1 ZINC000663705581 452444536 /nfs/dbraw/zinc/44/45/36/452444536.db2.gz XUVRKSFWRXEYBZ-UONOGXRCSA-N 2 2 331.464 1.865 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000659623300 452480764 /nfs/dbraw/zinc/48/07/64/452480764.db2.gz GDNDKEVJOHRRMB-DOTOQJQBSA-N 2 2 333.480 1.843 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)cc2[nH+]1 ZINC000657730226 452483284 /nfs/dbraw/zinc/48/32/84/452483284.db2.gz YSHJZOGHIBGPRB-IAQYHMDHSA-N 2 2 341.415 1.180 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2[nH+]1 ZINC000657730226 452483293 /nfs/dbraw/zinc/48/32/93/452483293.db2.gz YSHJZOGHIBGPRB-IAQYHMDHSA-N 2 2 341.415 1.180 20 0 EDADLP O=C(NCCC1CC[NH2+]CC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000652309400 452487155 /nfs/dbraw/zinc/48/71/55/452487155.db2.gz XGAAUQJKUMRWGH-UHFFFAOYSA-N 2 2 331.464 1.299 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000657752205 452502332 /nfs/dbraw/zinc/50/23/32/452502332.db2.gz NJEFDXHJQPATLC-GOSISDBHSA-N 2 2 348.491 1.507 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655682244 452508227 /nfs/dbraw/zinc/50/82/27/452508227.db2.gz CDKMDUUATJFGQM-MOPGFXCFSA-N 2 2 339.524 1.576 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655682244 452508236 /nfs/dbraw/zinc/50/82/36/452508236.db2.gz CDKMDUUATJFGQM-MOPGFXCFSA-N 2 2 339.524 1.576 20 0 EDADLP CC(C)CN1CCO[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655682244 452508245 /nfs/dbraw/zinc/50/82/45/452508245.db2.gz CDKMDUUATJFGQM-MOPGFXCFSA-N 2 2 339.524 1.576 20 0 EDADLP c1cnn(-c2ncccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655686936 452511757 /nfs/dbraw/zinc/51/17/57/452511757.db2.gz DUEKOQKZFJFOPZ-QGZVFWFLSA-N 2 2 327.432 1.610 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655696688 452516529 /nfs/dbraw/zinc/51/65/29/452516529.db2.gz IYVWQRIHPIZHEA-GOSISDBHSA-N 2 2 331.460 1.488 20 0 EDADLP CC(C)CC(=O)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655701488 452522869 /nfs/dbraw/zinc/52/28/69/452522869.db2.gz FYFSGPJJBQPJAK-GOSISDBHSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NCc1ccccc1 ZINC000655702190 452524747 /nfs/dbraw/zinc/52/47/47/452524747.db2.gz ZCARSJQKEJHRQE-YJBOKZPZSA-N 2 2 331.460 1.534 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)o1 ZINC000666012747 452529323 /nfs/dbraw/zinc/52/93/23/452529323.db2.gz ANOWRJHSIVYLCY-UHFFFAOYSA-N 2 2 337.464 1.962 20 0 EDADLP CC[C@H]([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C(=O)NCc1cccs1 ZINC000647802850 452534155 /nfs/dbraw/zinc/53/41/55/452534155.db2.gz VRUQZLHRZQJGKP-HRCADAONSA-N 2 2 337.489 1.500 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357026 452534377 /nfs/dbraw/zinc/53/43/77/452534377.db2.gz XFYQYTAPVBDXCM-IIDMSEBBSA-N 2 2 349.475 1.510 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357026 452534384 /nfs/dbraw/zinc/53/43/84/452534384.db2.gz XFYQYTAPVBDXCM-IIDMSEBBSA-N 2 2 349.475 1.510 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCc2ccccc21 ZINC000655724600 452538186 /nfs/dbraw/zinc/53/81/86/452538186.db2.gz FMLVYYUAQMJIQI-QAPCUYQASA-N 2 2 343.471 1.807 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000652358329 452538421 /nfs/dbraw/zinc/53/84/21/452538421.db2.gz WZENSZLZWCECJC-OGHNNQOOSA-N 2 2 349.431 1.080 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000652358329 452538432 /nfs/dbraw/zinc/53/84/32/452538432.db2.gz WZENSZLZWCECJC-OGHNNQOOSA-N 2 2 349.431 1.080 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661892701 452660078 /nfs/dbraw/zinc/66/00/78/452660078.db2.gz CBDQFEWJGHFAMM-IAGOWNOFSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925379 452664581 /nfs/dbraw/zinc/66/45/81/452664581.db2.gz GVSAQFLPCKLWKG-CYBMUJFWSA-N 2 2 333.432 1.988 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925383 452664643 /nfs/dbraw/zinc/66/46/43/452664643.db2.gz GWXDUDNJNJWTCH-UONOGXRCSA-N 2 2 347.459 1.837 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(F)(F)F ZINC000655912249 452670831 /nfs/dbraw/zinc/67/08/31/452670831.db2.gz MBYRYWVGTHNJBB-LLVKDONJSA-N 2 2 336.383 1.465 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC3CCC([NH+](C)C)CC3)cc2[nH+]1 ZINC000658021962 452693089 /nfs/dbraw/zinc/69/30/89/452693089.db2.gz SBOKYSSWNNVQLA-UHFFFAOYSA-N 2 2 343.431 1.570 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957060 452699212 /nfs/dbraw/zinc/69/92/12/452699212.db2.gz KFSCRIQUTZEPTG-LJQANCHMSA-N 2 2 331.460 1.429 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957060 452699221 /nfs/dbraw/zinc/69/92/21/452699221.db2.gz KFSCRIQUTZEPTG-LJQANCHMSA-N 2 2 331.460 1.429 20 0 EDADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659864257 452743868 /nfs/dbraw/zinc/74/38/68/452743868.db2.gz KZLQLRNZYPTPGE-DOTOQJQBSA-N 2 2 327.513 1.560 20 0 EDADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659864257 452743878 /nfs/dbraw/zinc/74/38/78/452743878.db2.gz KZLQLRNZYPTPGE-DOTOQJQBSA-N 2 2 327.513 1.560 20 0 EDADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000659876413 452753185 /nfs/dbraw/zinc/75/31/85/452753185.db2.gz AQJKVRURDFJXBG-MRXNPFEDSA-N 2 2 336.480 1.468 20 0 EDADLP CN1CC(=O)N(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000659876413 452753188 /nfs/dbraw/zinc/75/31/88/452753188.db2.gz AQJKVRURDFJXBG-MRXNPFEDSA-N 2 2 336.480 1.468 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)[N@H+]1CCO ZINC000652617144 452774869 /nfs/dbraw/zinc/77/48/69/452774869.db2.gz VDEZBDMGVRJPNK-OKILXGFUSA-N 2 2 344.419 1.186 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)[N@@H+]1CCO ZINC000652617144 452774876 /nfs/dbraw/zinc/77/48/76/452774876.db2.gz VDEZBDMGVRJPNK-OKILXGFUSA-N 2 2 344.419 1.186 20 0 EDADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH+]c2ccc(Cl)cn12 ZINC000648065078 452794437 /nfs/dbraw/zinc/79/44/37/452794437.db2.gz UIPFDYYJETZZRG-LBPRGKRZSA-N 2 2 335.839 1.540 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000648089673 452810144 /nfs/dbraw/zinc/81/01/44/452810144.db2.gz KIWDWCNIGGZBLU-QGZVFWFLSA-N 2 2 341.415 1.204 20 0 EDADLP C[C@H](CNC(=O)C1([NH+](C)C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000666377137 452819733 /nfs/dbraw/zinc/81/97/33/452819733.db2.gz MDRUBSYBXDHSPP-MRXNPFEDSA-N 2 2 330.476 1.408 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000648152416 452862816 /nfs/dbraw/zinc/86/28/16/452862816.db2.gz BBQWUDFTMVAFLK-CQSZACIVSA-N 2 2 335.423 1.409 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000652713911 452871513 /nfs/dbraw/zinc/87/15/13/452871513.db2.gz ZQXIMHMPDNSFFE-BMFAXAFESA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000652713911 452871522 /nfs/dbraw/zinc/87/15/22/452871522.db2.gz ZQXIMHMPDNSFFE-BMFAXAFESA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000652713911 452871528 /nfs/dbraw/zinc/87/15/28/452871528.db2.gz ZQXIMHMPDNSFFE-BMFAXAFESA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000652713911 452871536 /nfs/dbraw/zinc/87/15/36/452871536.db2.gz ZQXIMHMPDNSFFE-BMFAXAFESA-N 2 2 345.487 1.827 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000656118555 452875292 /nfs/dbraw/zinc/87/52/92/452875292.db2.gz SAUUVHCKZFSWLR-LSDHHAIUSA-N 2 2 332.448 1.706 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@@H]3CN(c4ccccc4)CCO3)CC2)C1 ZINC000662150280 452884114 /nfs/dbraw/zinc/88/41/14/452884114.db2.gz UFRLCYJRFUGQHQ-WOJBJXKFSA-N 2 2 345.487 1.423 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](C[C@@H]3CN(c4ccccc4)CCO3)CC2)C1 ZINC000662150280 452884119 /nfs/dbraw/zinc/88/41/19/452884119.db2.gz UFRLCYJRFUGQHQ-WOJBJXKFSA-N 2 2 345.487 1.423 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662153637 452888758 /nfs/dbraw/zinc/88/87/58/452888758.db2.gz BEGUGEBWLNOYFD-QZTJIDSGSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662153637 452888764 /nfs/dbraw/zinc/88/87/64/452888764.db2.gz BEGUGEBWLNOYFD-QZTJIDSGSA-N 2 2 334.460 1.266 20 0 EDADLP CN(C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645905923 452890441 /nfs/dbraw/zinc/89/04/41/452890441.db2.gz CVOCNPIEKYJNEZ-CUSZFKRNSA-N 2 2 334.508 1.985 20 0 EDADLP CN(C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645905923 452890449 /nfs/dbraw/zinc/89/04/49/452890449.db2.gz CVOCNPIEKYJNEZ-CUSZFKRNSA-N 2 2 334.508 1.985 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc12 ZINC000662159304 452898085 /nfs/dbraw/zinc/89/80/85/452898085.db2.gz XHKVBDDXCSIPKF-MRXNPFEDSA-N 2 2 329.448 1.308 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)cc12 ZINC000662159304 452898094 /nfs/dbraw/zinc/89/80/94/452898094.db2.gz XHKVBDDXCSIPKF-MRXNPFEDSA-N 2 2 329.448 1.308 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000645944343 452922140 /nfs/dbraw/zinc/92/21/40/452922140.db2.gz JPGVTVGXQAVJIA-CQSZACIVSA-N 2 2 327.432 1.398 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000664247548 452927750 /nfs/dbraw/zinc/92/77/50/452927750.db2.gz BBDNJEKIJGYKJH-UHFFFAOYSA-N 2 2 338.525 1.325 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000664247548 452927760 /nfs/dbraw/zinc/92/77/60/452927760.db2.gz BBDNJEKIJGYKJH-UHFFFAOYSA-N 2 2 338.525 1.325 20 0 EDADLP CC(C)CO[C@H](C)c1noc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662257756 452986354 /nfs/dbraw/zinc/98/63/54/452986354.db2.gz GEPQUOZKNUJYIN-KGLIPLIRSA-N 2 2 338.452 1.756 20 0 EDADLP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662257756 452986361 /nfs/dbraw/zinc/98/63/61/452986361.db2.gz GEPQUOZKNUJYIN-KGLIPLIRSA-N 2 2 338.452 1.756 20 0 EDADLP c1ccc(COCC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000662277246 453002677 /nfs/dbraw/zinc/00/26/77/453002677.db2.gz NZFRXWZLKLWXBY-UHFFFAOYSA-N 2 2 341.459 1.778 20 0 EDADLP Fc1ccc(F)c2c1O[C@@H]1C[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@@H]1O2 ZINC000662282305 453007316 /nfs/dbraw/zinc/00/73/16/453007316.db2.gz FXHZBUVECPGKJT-HONMWMINSA-N 2 2 338.354 1.310 20 0 EDADLP Fc1ccc(F)c2c1O[C@@H]1C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C[C@@H]1O2 ZINC000662282305 453007324 /nfs/dbraw/zinc/00/73/24/453007324.db2.gz FXHZBUVECPGKJT-HONMWMINSA-N 2 2 338.354 1.310 20 0 EDADLP C[C@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000662286103 453010070 /nfs/dbraw/zinc/01/00/70/453010070.db2.gz VRSYVFJEPSEATA-LBPRGKRZSA-N 2 2 325.840 1.221 20 0 EDADLP CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)[NH3+] ZINC000662293861 453016359 /nfs/dbraw/zinc/01/63/59/453016359.db2.gz WKXODRWUTJIIAU-UHFFFAOYSA-N 2 2 334.464 1.126 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)CCO1 ZINC000662315550 453032448 /nfs/dbraw/zinc/03/24/48/453032448.db2.gz GIGWHYSWTVEDOD-IBGZPJMESA-N 2 2 345.487 1.614 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)CCO1 ZINC000662315550 453032454 /nfs/dbraw/zinc/03/24/54/453032454.db2.gz GIGWHYSWTVEDOD-IBGZPJMESA-N 2 2 345.487 1.614 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000666645491 453032709 /nfs/dbraw/zinc/03/27/09/453032709.db2.gz UDDJXEOVXVBSTK-OALUTQOASA-N 2 2 344.503 1.390 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000666645491 453032713 /nfs/dbraw/zinc/03/27/13/453032713.db2.gz UDDJXEOVXVBSTK-OALUTQOASA-N 2 2 344.503 1.390 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319438 453034804 /nfs/dbraw/zinc/03/48/04/453034804.db2.gz NFUDTVLIWZZCIL-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319438 453034812 /nfs/dbraw/zinc/03/48/12/453034812.db2.gz NFUDTVLIWZZCIL-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C[N@@H+]1C1CC1 ZINC000664366584 453037005 /nfs/dbraw/zinc/03/70/05/453037005.db2.gz AJPCKYGOHGPSGY-IPYPFGDCSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C[N@H+]1C1CC1 ZINC000664366584 453037011 /nfs/dbraw/zinc/03/70/11/453037011.db2.gz AJPCKYGOHGPSGY-IPYPFGDCSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664405386 453065794 /nfs/dbraw/zinc/06/57/94/453065794.db2.gz IUOHHUMYVRTVTI-VHDGCEQUSA-N 2 2 349.479 1.262 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664405386 453065800 /nfs/dbraw/zinc/06/58/00/453065800.db2.gz IUOHHUMYVRTVTI-VHDGCEQUSA-N 2 2 349.479 1.262 20 0 EDADLP CCC[C@H](C)[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000650876795 453078059 /nfs/dbraw/zinc/07/80/59/453078059.db2.gz GTLDJZKCYZWIJJ-ZMSDIMECSA-N 2 2 340.512 1.251 20 0 EDADLP CCC[C@H](C)[C@@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000650876795 453078065 /nfs/dbraw/zinc/07/80/65/453078065.db2.gz GTLDJZKCYZWIJJ-ZMSDIMECSA-N 2 2 340.512 1.251 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000658524795 453078443 /nfs/dbraw/zinc/07/84/43/453078443.db2.gz UAKYJQRSZKVCCK-KGLIPLIRSA-N 2 2 347.463 1.452 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000658524795 453078454 /nfs/dbraw/zinc/07/84/54/453078454.db2.gz UAKYJQRSZKVCCK-KGLIPLIRSA-N 2 2 347.463 1.452 20 0 EDADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104481 453107573 /nfs/dbraw/zinc/10/75/73/453107573.db2.gz FRDQFVFGOGQGRF-IAGOWNOFSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104481 453107576 /nfs/dbraw/zinc/10/75/76/453107576.db2.gz FRDQFVFGOGQGRF-IAGOWNOFSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000666755087 453120195 /nfs/dbraw/zinc/12/01/95/453120195.db2.gz AXJQUYDVEYDBOR-SJORKVTESA-N 2 2 340.512 1.469 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)c1cnnn1C1CC[NH2+]CC1 ZINC000662445161 453152015 /nfs/dbraw/zinc/15/20/15/453152015.db2.gz FDEPNSHSHRJWCE-UHFFFAOYSA-N 2 2 343.435 1.220 20 0 EDADLP CC1(C)CC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC(C)(C)[NH2+]1 ZINC000660283720 453173165 /nfs/dbraw/zinc/17/31/65/453173165.db2.gz PYQURPREKJUDSP-HNNXBMFYSA-N 2 2 338.496 1.412 20 0 EDADLP Cn1ncc2c1nc[nH+]c2N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000664540276 453181792 /nfs/dbraw/zinc/18/17/92/453181792.db2.gz WNTOIFMWBGIYOM-ZIAGYGMSSA-N 2 2 328.420 1.419 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666838841 453182974 /nfs/dbraw/zinc/18/29/74/453182974.db2.gz GPDXHKVQIDACKI-QGZVFWFLSA-N 2 2 346.475 1.729 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000648732789 453219157 /nfs/dbraw/zinc/21/91/57/453219157.db2.gz PYFGEIFHNYKARF-MRXNPFEDSA-N 2 2 335.496 1.540 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000648732789 453219169 /nfs/dbraw/zinc/21/91/69/453219169.db2.gz PYFGEIFHNYKARF-MRXNPFEDSA-N 2 2 335.496 1.540 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666892479 453219975 /nfs/dbraw/zinc/21/99/75/453219975.db2.gz PKRFPHKGTIGKIW-HOTGVXAUSA-N 2 2 326.444 1.804 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn(C4CCC4)nn3)CC2)CC1 ZINC000648756728 453238005 /nfs/dbraw/zinc/23/80/05/453238005.db2.gz JSXNFMFIDUNRNF-UHFFFAOYSA-N 2 2 346.479 1.292 20 0 EDADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662531607 453254619 /nfs/dbraw/zinc/25/46/19/453254619.db2.gz YTRUKNABTHLSDB-LSDHHAIUSA-N 2 2 349.500 1.767 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000653079173 453258311 /nfs/dbraw/zinc/25/83/11/453258311.db2.gz VGXKRXQERXPCID-JTQLQIEISA-N 2 2 326.853 1.845 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000653084614 453266875 /nfs/dbraw/zinc/26/68/75/453266875.db2.gz MBNVPMTXVWLAGD-GJZGRUSLSA-N 2 2 343.830 1.658 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653105095 453287936 /nfs/dbraw/zinc/28/79/36/453287936.db2.gz FVBUVTNHBMPMKP-HUUCEWRRSA-N 2 2 337.489 1.627 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000653108291 453291219 /nfs/dbraw/zinc/29/12/19/453291219.db2.gz QTQCUCZZBMMHMJ-UONOGXRCSA-N 2 2 330.432 1.813 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccsc1 ZINC000653109629 453296314 /nfs/dbraw/zinc/29/63/14/453296314.db2.gz HWFCKAWWUOGWEF-LSDHHAIUSA-N 3 2 326.510 1.526 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000653114223 453301703 /nfs/dbraw/zinc/30/17/03/453301703.db2.gz AMVIUWYWPUGIGG-MRXNPFEDSA-N 3 2 336.505 1.453 20 0 EDADLP C[C@@H]1C[NH+](CCN2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@@H](C)O1 ZINC000660482639 453339893 /nfs/dbraw/zinc/33/98/93/453339893.db2.gz HLMVXHDUOYEMIW-KZNAEPCWSA-N 2 2 325.497 1.140 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000648869594 453345972 /nfs/dbraw/zinc/34/59/72/453345972.db2.gz ZEOCTALCXFTABY-ZIAGYGMSSA-N 2 2 330.436 1.635 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1c1cccc(F)c1 ZINC000653163972 453357369 /nfs/dbraw/zinc/35/73/69/453357369.db2.gz BQJQFSSULDHWHM-DLBZAZTESA-N 2 2 342.418 1.854 20 0 EDADLP C[C@@H](CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)[NH+](C)C ZINC000653165134 453358080 /nfs/dbraw/zinc/35/80/80/453358080.db2.gz FSDHMSMKKKVIQI-GOEBONIOSA-N 2 2 329.448 1.953 20 0 EDADLP [NH3+]CCCCn1cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)nn1 ZINC000646421587 453378325 /nfs/dbraw/zinc/37/83/25/453378325.db2.gz MBWZAPPTDXLPPM-UHFFFAOYSA-N 2 2 325.376 1.455 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000664766895 453392199 /nfs/dbraw/zinc/39/21/99/453392199.db2.gz RAYRNTXTBNFSPJ-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000664766895 453392206 /nfs/dbraw/zinc/39/22/06/453392206.db2.gz RAYRNTXTBNFSPJ-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3C[C@H]([NH3+])C3)CCCC2)no1 ZINC000662702535 453423698 /nfs/dbraw/zinc/42/36/98/453423698.db2.gz LFDVHTDYBFNUPA-JOCQHMNTSA-N 2 2 335.452 1.534 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCCC12CCOCC2 ZINC000664823761 453430526 /nfs/dbraw/zinc/43/05/26/453430526.db2.gz FXWWZQDIXNKNIH-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCCC12CCOCC2 ZINC000664823761 453430536 /nfs/dbraw/zinc/43/05/36/453430536.db2.gz FXWWZQDIXNKNIH-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@H]3CC[NH2+]C3)c2)CC1 ZINC000646518062 453450638 /nfs/dbraw/zinc/45/06/38/453450638.db2.gz PJWCVFXZJCJEAR-MRXNPFEDSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1nc(-c2ccc(C)c(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2)n[nH]1 ZINC000667174496 453451986 /nfs/dbraw/zinc/45/19/86/453451986.db2.gz HLBIHXPICASFFT-CQSZACIVSA-N 2 2 343.435 1.195 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@H](c2ccccc2)C1 ZINC000662786609 453520411 /nfs/dbraw/zinc/52/04/11/453520411.db2.gz WCHCZFREXNALDB-AWEZNQCLSA-N 2 2 328.416 1.997 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@H](c2ccccc2)C1 ZINC000662786609 453520418 /nfs/dbraw/zinc/52/04/18/453520418.db2.gz WCHCZFREXNALDB-AWEZNQCLSA-N 2 2 328.416 1.997 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000660695945 453520541 /nfs/dbraw/zinc/52/05/41/453520541.db2.gz DNKRGQSSXCJMKB-GOSISDBHSA-N 2 2 338.467 1.802 20 0 EDADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000660760119 453564870 /nfs/dbraw/zinc/56/48/70/453564870.db2.gz MRMLBGXNDJYUCZ-ZACQAIPSSA-N 2 2 335.492 1.260 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900937 453596241 /nfs/dbraw/zinc/59/62/41/453596241.db2.gz QFZUYFSDXXVTKA-SJORKVTESA-N 3 2 338.540 1.638 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900937 453596244 /nfs/dbraw/zinc/59/62/44/453596244.db2.gz QFZUYFSDXXVTKA-SJORKVTESA-N 3 2 338.540 1.638 20 0 EDADLP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662907567 453597562 /nfs/dbraw/zinc/59/75/62/453597562.db2.gz RREOXTRKOUIGLC-KCXAZCMYSA-N 2 2 339.867 1.907 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000660856548 453615246 /nfs/dbraw/zinc/61/52/46/453615246.db2.gz OSYNVSIQTMWSAQ-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000660856548 453615249 /nfs/dbraw/zinc/61/52/49/453615249.db2.gz OSYNVSIQTMWSAQ-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660856548 453615250 /nfs/dbraw/zinc/61/52/50/453615250.db2.gz OSYNVSIQTMWSAQ-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660856548 453615252 /nfs/dbraw/zinc/61/52/52/453615252.db2.gz OSYNVSIQTMWSAQ-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000659255077 453686388 /nfs/dbraw/zinc/68/63/88/453686388.db2.gz FJUJDLKHNHEIOI-CVEARBPZSA-N 2 2 347.463 1.036 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000665462748 453701106 /nfs/dbraw/zinc/70/11/06/453701106.db2.gz ROWBROKQVJFLMX-YOEHRIQHSA-N 2 2 328.416 1.671 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000665462748 453701111 /nfs/dbraw/zinc/70/11/11/453701111.db2.gz ROWBROKQVJFLMX-YOEHRIQHSA-N 2 2 328.416 1.671 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663235092 453742172 /nfs/dbraw/zinc/74/21/72/453742172.db2.gz YQBHJLSFYNRIPE-MRXNPFEDSA-N 2 2 335.452 1.170 20 0 EDADLP COc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cn1 ZINC000663370553 453782383 /nfs/dbraw/zinc/78/23/83/453782383.db2.gz IFQMPPPRCZOLOL-UHFFFAOYSA-N 2 2 334.464 1.511 20 0 EDADLP COc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cn1 ZINC000663370553 453782385 /nfs/dbraw/zinc/78/23/85/453782385.db2.gz IFQMPPPRCZOLOL-UHFFFAOYSA-N 2 2 334.464 1.511 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCc2ccccc2-n2ccnc21)C1CC1 ZINC000663381088 453784821 /nfs/dbraw/zinc/78/48/21/453784821.db2.gz ZHJLRIKKAJWTPP-SJORKVTESA-N 2 2 326.444 1.904 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCc2ccccc2-n2ccnc21)C1CC1 ZINC000663381088 453784822 /nfs/dbraw/zinc/78/48/22/453784822.db2.gz ZHJLRIKKAJWTPP-SJORKVTESA-N 2 2 326.444 1.904 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C)CO1 ZINC000663425300 453794952 /nfs/dbraw/zinc/79/49/52/453794952.db2.gz OTJARCDLDQSBGD-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C)CO1 ZINC000663425300 453794953 /nfs/dbraw/zinc/79/49/53/453794953.db2.gz OTJARCDLDQSBGD-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP CC[N@H+](CC(=O)N1CCOC2(C[NH2+]C2)C1)Cc1ccccc1Cl ZINC000663492517 453809445 /nfs/dbraw/zinc/80/94/45/453809445.db2.gz RKILSUFFLJAUQY-UHFFFAOYSA-N 2 2 337.851 1.363 20 0 EDADLP CC[N@@H+](CC(=O)N1CCOC2(C[NH2+]C2)C1)Cc1ccccc1Cl ZINC000663492517 453809447 /nfs/dbraw/zinc/80/94/47/453809447.db2.gz RKILSUFFLJAUQY-UHFFFAOYSA-N 2 2 337.851 1.363 20 0 EDADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000663514226 453814054 /nfs/dbraw/zinc/81/40/54/453814054.db2.gz PJFNLCSHNLZDLJ-OLZOCXBDSA-N 2 2 332.448 1.950 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(c2ccccc2)CC1 ZINC000663539469 453818864 /nfs/dbraw/zinc/81/88/64/453818864.db2.gz PBWCWZXXQJBNLM-UHFFFAOYSA-N 2 2 332.492 1.901 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(c2ccccc2)CC1 ZINC000663539469 453818866 /nfs/dbraw/zinc/81/88/66/453818866.db2.gz PBWCWZXXQJBNLM-UHFFFAOYSA-N 2 2 332.492 1.901 20 0 EDADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676286766 486720246 /nfs/dbraw/zinc/72/02/46/486720246.db2.gz FLPKDGXGMWTILF-WMLDXEAASA-N 2 2 328.416 1.380 20 0 EDADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676286766 486720252 /nfs/dbraw/zinc/72/02/52/486720252.db2.gz FLPKDGXGMWTILF-WMLDXEAASA-N 2 2 328.416 1.380 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNc2nc(N3CCOCC3)cc[nH+]2)C[C@H](C)O1 ZINC000676306153 486730429 /nfs/dbraw/zinc/73/04/29/486730429.db2.gz ZPZCXPWSDVZZOG-GJZGRUSLSA-N 2 2 349.479 1.613 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417047476 486791918 /nfs/dbraw/zinc/79/19/18/486791918.db2.gz YJWBFQVTVDBBND-FGTMMUONSA-N 2 2 346.475 1.629 20 0 EDADLP Cc1[nH+]cc(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)n1C ZINC000667501126 486812302 /nfs/dbraw/zinc/81/23/02/486812302.db2.gz ODIXEUSICWOUHI-HNNXBMFYSA-N 2 2 333.480 1.247 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+](CCO)C(C)(C)C3)cn21 ZINC000672851862 486819639 /nfs/dbraw/zinc/81/96/39/486819639.db2.gz ZAABMHPBUUAGBH-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cn21 ZINC000672851862 486819645 /nfs/dbraw/zinc/81/96/45/486819645.db2.gz ZAABMHPBUUAGBH-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000672943130 486850371 /nfs/dbraw/zinc/85/03/71/486850371.db2.gz VZLXVMPJIZWERJ-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1COCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000676711247 486850661 /nfs/dbraw/zinc/85/06/61/486850661.db2.gz FKIIIMJKVCIQAC-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@H]1COCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000676711247 486850664 /nfs/dbraw/zinc/85/06/64/486850664.db2.gz FKIIIMJKVCIQAC-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000683884009 486852530 /nfs/dbraw/zinc/85/25/30/486852530.db2.gz UNFHNWOPKFFJRD-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000683884009 486852533 /nfs/dbraw/zinc/85/25/33/486852533.db2.gz UNFHNWOPKFFJRD-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP Cc1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)sn1 ZINC000683889623 486853570 /nfs/dbraw/zinc/85/35/70/486853570.db2.gz OGTOAUVBBVMVDG-UHFFFAOYSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1[nH+]cc(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)n1C ZINC000667595662 486865491 /nfs/dbraw/zinc/86/54/91/486865491.db2.gz MKZZFDXUQFQPJL-AWEZNQCLSA-N 2 2 333.480 1.293 20 0 EDADLP CCc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000684049460 486926365 /nfs/dbraw/zinc/92/63/65/486926365.db2.gz YFBQOGMYLTZIMF-GOSISDBHSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000684049460 486926367 /nfs/dbraw/zinc/92/63/67/486926367.db2.gz YFBQOGMYLTZIMF-GOSISDBHSA-N 2 2 330.476 1.885 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnc2ccccn12 ZINC000667787834 486964876 /nfs/dbraw/zinc/96/48/76/486964876.db2.gz APGKRCAXPGIVKP-UHFFFAOYSA-N 2 2 344.463 1.824 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnc2ccccn12 ZINC000667787834 486964880 /nfs/dbraw/zinc/96/48/80/486964880.db2.gz APGKRCAXPGIVKP-UHFFFAOYSA-N 2 2 344.463 1.824 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681208192 486973924 /nfs/dbraw/zinc/97/39/24/486973924.db2.gz ZYOULSTWEPHKCH-WBVHZDCISA-N 3 2 348.495 1.082 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681208192 486973931 /nfs/dbraw/zinc/97/39/31/486973931.db2.gz ZYOULSTWEPHKCH-WBVHZDCISA-N 3 2 348.495 1.082 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1CC1 ZINC000667806174 486974516 /nfs/dbraw/zinc/97/45/16/486974516.db2.gz MUGBUQVGXDBMPZ-BBRMVZONSA-N 2 2 340.431 1.904 20 0 EDADLP CN(C(=O)NCCn1cccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216784 486977565 /nfs/dbraw/zinc/97/75/65/486977565.db2.gz LBZZDYRKDQZXPD-QGZVFWFLSA-N 2 2 333.480 1.298 20 0 EDADLP CN(C(=O)NCCn1cccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216784 486977570 /nfs/dbraw/zinc/97/75/70/486977570.db2.gz LBZZDYRKDQZXPD-QGZVFWFLSA-N 2 2 333.480 1.298 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)C(F)F)CC2)CC1 ZINC000684259748 487004737 /nfs/dbraw/zinc/00/47/37/487004737.db2.gz GMKNBFCGHUEPMK-UHFFFAOYSA-N 2 2 332.439 1.888 20 0 EDADLP CN(C(=O)Cn1cncn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290577 487034165 /nfs/dbraw/zinc/03/41/65/487034165.db2.gz NEDNLEPIXDNOHK-IRXDYDNUSA-N 2 2 348.495 1.074 20 0 EDADLP CN(C(=O)Cn1cncn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290577 487034168 /nfs/dbraw/zinc/03/41/68/487034168.db2.gz NEDNLEPIXDNOHK-IRXDYDNUSA-N 2 2 348.495 1.074 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000673861501 487136705 /nfs/dbraw/zinc/13/67/05/487136705.db2.gz HWVJAAAICRFPBU-UHFFFAOYSA-N 2 2 344.419 1.500 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000673861501 487136709 /nfs/dbraw/zinc/13/67/09/487136709.db2.gz HWVJAAAICRFPBU-UHFFFAOYSA-N 2 2 344.419 1.500 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1Cc1ccccc1 ZINC000671927554 487156630 /nfs/dbraw/zinc/15/66/30/487156630.db2.gz DOJIBSKNHNZAFR-ROUUACIJSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1Cc1ccccc1 ZINC000671927554 487156631 /nfs/dbraw/zinc/15/66/31/487156631.db2.gz DOJIBSKNHNZAFR-ROUUACIJSA-N 2 2 338.455 1.831 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)no1 ZINC000681825690 487186621 /nfs/dbraw/zinc/18/66/21/487186621.db2.gz BBSMQYXMGOSKMH-ZDUSSCGKSA-N 2 2 329.404 1.944 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)no1 ZINC000681825690 487186622 /nfs/dbraw/zinc/18/66/22/487186622.db2.gz BBSMQYXMGOSKMH-ZDUSSCGKSA-N 2 2 329.404 1.944 20 0 EDADLP CN(C)c1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000678081628 487243944 /nfs/dbraw/zinc/24/39/44/487243944.db2.gz FWTGDCQTCPNYCY-SFHVURJKSA-N 2 2 330.476 1.667 20 0 EDADLP CN(C)c1cccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000678081628 487243948 /nfs/dbraw/zinc/24/39/48/487243948.db2.gz FWTGDCQTCPNYCY-SFHVURJKSA-N 2 2 330.476 1.667 20 0 EDADLP CN(C(=O)[C@H]1CCCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785954 487323488 /nfs/dbraw/zinc/32/34/88/487323488.db2.gz MSSCOHKIHGZPTA-HOCLYGCPSA-N 2 2 325.522 1.757 20 0 EDADLP CN(C(=O)[C@H]1CCCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785954 487323490 /nfs/dbraw/zinc/32/34/90/487323490.db2.gz MSSCOHKIHGZPTA-HOCLYGCPSA-N 2 2 325.522 1.757 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000674877462 487344095 /nfs/dbraw/zinc/34/40/95/487344095.db2.gz SOOJHSLIDCZLNO-HUUCEWRRSA-N 2 2 337.489 1.481 20 0 EDADLP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC000682532109 487383489 /nfs/dbraw/zinc/38/34/89/487383489.db2.gz LSDGVSPRIIADCJ-ZACQAIPSSA-N 2 2 345.491 1.120 20 0 EDADLP COc1nc(C)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679100905 487391857 /nfs/dbraw/zinc/39/18/57/487391857.db2.gz FGCXBKQPTJHDRT-AWEZNQCLSA-N 2 2 332.448 1.297 20 0 EDADLP COc1nc(C)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679100905 487391859 /nfs/dbraw/zinc/39/18/59/487391859.db2.gz FGCXBKQPTJHDRT-AWEZNQCLSA-N 2 2 332.448 1.297 20 0 EDADLP O=C(C[N@H+]1CC=CCC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000679321447 487414911 /nfs/dbraw/zinc/41/49/11/487414911.db2.gz CHRYQFSGGPMOEB-UHFFFAOYSA-N 2 2 341.455 1.528 20 0 EDADLP O=C(C[N@@H+]1CC=CCC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000679321447 487414912 /nfs/dbraw/zinc/41/49/12/487414912.db2.gz CHRYQFSGGPMOEB-UHFFFAOYSA-N 2 2 341.455 1.528 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnn3C3CCCC3)C2)CC1 ZINC000675795438 487445138 /nfs/dbraw/zinc/44/51/38/487445138.db2.gz DHKWMQVNOOHYER-HNNXBMFYSA-N 2 2 345.491 1.897 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnn3C3CCCC3)C2)CC1 ZINC000675795438 487445139 /nfs/dbraw/zinc/44/51/39/487445139.db2.gz DHKWMQVNOOHYER-HNNXBMFYSA-N 2 2 345.491 1.897 20 0 EDADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000669521447 485488924 /nfs/dbraw/zinc/48/89/24/485488924.db2.gz NVHFSPBNBJURQD-WMLDXEAASA-N 2 2 325.416 1.273 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668253284 485515178 /nfs/dbraw/zinc/51/51/78/485515178.db2.gz BHFVQJCRMSLOLL-PKOBYXMFSA-N 2 2 345.487 1.703 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668253284 485515183 /nfs/dbraw/zinc/51/51/83/485515183.db2.gz BHFVQJCRMSLOLL-PKOBYXMFSA-N 2 2 345.487 1.703 20 0 EDADLP CN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669542781 485528540 /nfs/dbraw/zinc/52/85/40/485528540.db2.gz GFDSLXJRIJDOJF-IUOOZAAYSA-N 2 2 329.448 1.585 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000669021126 485568080 /nfs/dbraw/zinc/56/80/80/485568080.db2.gz FYJCNNGRLOWJCH-GDBMZVCRSA-N 2 2 347.463 1.330 20 0 EDADLP CC(C)CCOc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669569202 485583410 /nfs/dbraw/zinc/58/34/10/485583410.db2.gz RXTHSXUUBLTYOW-KRWDZBQOSA-N 2 2 348.491 1.896 20 0 EDADLP CC(C)CCOc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669569202 485583417 /nfs/dbraw/zinc/58/34/17/485583417.db2.gz RXTHSXUUBLTYOW-KRWDZBQOSA-N 2 2 348.491 1.896 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000325145407 485652124 /nfs/dbraw/zinc/65/21/24/485652124.db2.gz GYNUVEUIGPUWFD-INIZCTEOSA-N 2 2 334.464 1.546 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668419623 485729212 /nfs/dbraw/zinc/72/92/12/485729212.db2.gz HYRSBOPFUCBCHI-JKSUJKDBSA-N 2 2 345.491 1.143 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668419623 485729218 /nfs/dbraw/zinc/72/92/18/485729218.db2.gz HYRSBOPFUCBCHI-JKSUJKDBSA-N 2 2 345.491 1.143 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668419623 485729225 /nfs/dbraw/zinc/72/92/25/485729225.db2.gz HYRSBOPFUCBCHI-JKSUJKDBSA-N 2 2 345.491 1.143 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668419623 485729229 /nfs/dbraw/zinc/72/92/29/485729229.db2.gz HYRSBOPFUCBCHI-JKSUJKDBSA-N 2 2 345.491 1.143 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000668591192 485927753 /nfs/dbraw/zinc/92/77/53/485927753.db2.gz NMYXUONZRRGMQA-HZPDHXFCSA-N 2 2 346.475 1.675 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2cccc(OC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000572118137 485979741 /nfs/dbraw/zinc/97/97/41/485979741.db2.gz WNPJWLFXOJKCNV-LBPRGKRZSA-N 2 2 331.338 1.229 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2cccc(OC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000572118137 485979747 /nfs/dbraw/zinc/97/97/47/485979747.db2.gz WNPJWLFXOJKCNV-LBPRGKRZSA-N 2 2 331.338 1.229 20 0 EDADLP CC(C)NC(=O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000267334044 486047164 /nfs/dbraw/zinc/04/71/64/486047164.db2.gz APAMVKWMLUCTDG-UHFFFAOYSA-N 2 2 348.491 1.274 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000672693916 486179924 /nfs/dbraw/zinc/17/99/24/486179924.db2.gz GYBBWBFFCMVEEP-HNNXBMFYSA-N 2 2 347.463 1.037 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC000570343125 486191889 /nfs/dbraw/zinc/19/18/89/486191889.db2.gz HRUVQMMRSLRTNK-QGZVFWFLSA-N 3 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)CC1 ZINC000570343125 486191894 /nfs/dbraw/zinc/19/18/94/486191894.db2.gz HRUVQMMRSLRTNK-QGZVFWFLSA-N 3 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000570343125 486191898 /nfs/dbraw/zinc/19/18/98/486191898.db2.gz HRUVQMMRSLRTNK-QGZVFWFLSA-N 3 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000570343125 486191903 /nfs/dbraw/zinc/19/19/03/486191903.db2.gz HRUVQMMRSLRTNK-QGZVFWFLSA-N 3 2 336.524 1.347 20 0 EDADLP CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669487310 486256204 /nfs/dbraw/zinc/25/62/04/486256204.db2.gz HGZCBHAAQHRUFI-JKSUJKDBSA-N 2 2 338.883 1.945 20 0 EDADLP CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669487310 486256210 /nfs/dbraw/zinc/25/62/10/486256210.db2.gz HGZCBHAAQHRUFI-JKSUJKDBSA-N 2 2 338.883 1.945 20 0 EDADLP CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669487308 486256267 /nfs/dbraw/zinc/25/62/67/486256267.db2.gz HGZCBHAAQHRUFI-HOTGVXAUSA-N 2 2 338.883 1.945 20 0 EDADLP CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669487308 486256274 /nfs/dbraw/zinc/25/62/74/486256274.db2.gz HGZCBHAAQHRUFI-HOTGVXAUSA-N 2 2 338.883 1.945 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000668873825 486285874 /nfs/dbraw/zinc/28/58/74/486285874.db2.gz ABGZXRZUGNVYEH-HZPDHXFCSA-N 2 2 327.432 1.951 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC3(C)CC[NH2+]CC3)[nH+]c12 ZINC000669512014 486294828 /nfs/dbraw/zinc/29/48/28/486294828.db2.gz RQAOEKHDUDAUCB-UHFFFAOYSA-N 2 2 329.448 1.874 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000669932165 486517549 /nfs/dbraw/zinc/51/75/49/486517549.db2.gz KHJLVNHXIPNYKN-DLBZAZTESA-N 2 2 335.492 1.892 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000669932165 486517554 /nfs/dbraw/zinc/51/75/54/486517554.db2.gz KHJLVNHXIPNYKN-DLBZAZTESA-N 2 2 335.492 1.892 20 0 EDADLP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000671295582 486640842 /nfs/dbraw/zinc/64/08/42/486640842.db2.gz DVLUKXGLPQYKRH-BMGDILEWSA-N 2 2 331.460 1.551 20 0 EDADLP CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093050824 491205810 /nfs/dbraw/zinc/20/58/10/491205810.db2.gz RHLXMHVGJDCPHV-SFHVURJKSA-N 2 2 331.460 1.872 20 0 EDADLP CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093050824 491205811 /nfs/dbraw/zinc/20/58/11/491205811.db2.gz RHLXMHVGJDCPHV-SFHVURJKSA-N 2 2 331.460 1.872 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H](C[NH+](C)C)C3)[nH+]c12 ZINC000130231025 491211123 /nfs/dbraw/zinc/21/11/23/491211123.db2.gz UGQYUOMCTREJNN-HNNXBMFYSA-N 2 2 329.448 1.778 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)COc2cccc(-n3cc[nH+]c3)c2)C[C@@H](C)O1 ZINC000305273270 491010843 /nfs/dbraw/zinc/01/08/43/491010843.db2.gz ADRFBHVDCHZLKK-INMHGKMJSA-N 2 2 331.416 1.721 20 0 EDADLP COC1CC[NH+](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000079670132 491011516 /nfs/dbraw/zinc/01/15/16/491011516.db2.gz QCLAQUVUDJSAAO-UHFFFAOYSA-N 2 2 330.432 1.412 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000236819515 535046310 /nfs/dbraw/zinc/04/63/10/535046310.db2.gz OFIUZLZNHZRXPP-KRWDZBQOSA-N 2 2 349.475 1.531 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261877376 535124837 /nfs/dbraw/zinc/12/48/37/535124837.db2.gz DXNUBUDTMSFJPF-XDNAFOTISA-N 3 2 325.497 1.090 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261877376 535124840 /nfs/dbraw/zinc/12/48/40/535124840.db2.gz DXNUBUDTMSFJPF-XDNAFOTISA-N 3 2 325.497 1.090 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C2 ZINC000261756018 535137247 /nfs/dbraw/zinc/13/72/47/535137247.db2.gz LKSJFJFXCRUHIV-BBRMVZONSA-N 2 2 334.464 1.366 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1n1cccn1 ZINC000339597146 535414727 /nfs/dbraw/zinc/41/47/27/535414727.db2.gz YYKSYAJHSQQZCA-IIAWOOMASA-N 2 2 335.477 1.910 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000262183216 535438602 /nfs/dbraw/zinc/43/86/02/535438602.db2.gz IYNRXUXMFWESPO-VQIMIIECSA-N 2 2 346.475 1.258 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000346845286 535489247 /nfs/dbraw/zinc/48/92/47/535489247.db2.gz MQBSPXPSHGGVST-UHFFFAOYSA-N 2 2 330.476 1.641 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000264124774 535489282 /nfs/dbraw/zinc/48/92/82/535489282.db2.gz MZMFOVFMNNCIPL-QGZVFWFLSA-N 2 2 337.439 1.345 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cncs3)CC2)CC1 ZINC000093141515 535612582 /nfs/dbraw/zinc/61/25/82/535612582.db2.gz XKSYZBXGYGPRQY-UHFFFAOYSA-N 2 2 336.505 1.909 20 0 EDADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246286984 535657359 /nfs/dbraw/zinc/65/73/59/535657359.db2.gz BXNQECRAKTXZHU-ULQDDVLXSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000270851439 535917219 /nfs/dbraw/zinc/91/72/19/535917219.db2.gz IARHORUVJHGKCH-UHFFFAOYSA-N 3 2 343.475 1.646 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000111231021 536358992 /nfs/dbraw/zinc/35/89/92/536358992.db2.gz OXSCLBBTIFEKDW-KRWDZBQOSA-N 2 2 338.540 1.641 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000111231021 536358994 /nfs/dbraw/zinc/35/89/94/536358994.db2.gz OXSCLBBTIFEKDW-KRWDZBQOSA-N 2 2 338.540 1.641 20 0 EDADLP Cn1cc(CN2C[C@H](F)C[C@H]2C[N@H+](C)CCCn2cc[nH+]c2)cn1 ZINC000347103764 536362605 /nfs/dbraw/zinc/36/26/05/536362605.db2.gz FIRPAKZMTFMAHD-SJORKVTESA-N 2 2 334.443 1.551 20 0 EDADLP Cn1cc(CN2C[C@H](F)C[C@H]2C[N@@H+](C)CCCn2cc[nH+]c2)cn1 ZINC000347103764 536362609 /nfs/dbraw/zinc/36/26/09/536362609.db2.gz FIRPAKZMTFMAHD-SJORKVTESA-N 2 2 334.443 1.551 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2nccs2)c2ccccc2)CC1 ZINC000271855465 536403934 /nfs/dbraw/zinc/40/39/34/536403934.db2.gz XJMYCMWJLOWSCL-KRWDZBQOSA-N 2 2 344.484 1.986 20 0 EDADLP CO[C@H]1CCC[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000339546405 536715051 /nfs/dbraw/zinc/71/50/51/536715051.db2.gz PVBOFKIYUAJWMB-QAPCUYQASA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OCCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000741145218 579398994 /nfs/dbraw/zinc/39/89/94/579398994.db2.gz PPGMVNWBGPGZMY-HUUCEWRRSA-N 2 2 326.437 1.432 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OCCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741145218 579398996 /nfs/dbraw/zinc/39/89/96/579398996.db2.gz PPGMVNWBGPGZMY-HUUCEWRRSA-N 2 2 326.437 1.432 20 0 EDADLP c1cn(CCCNc2cc[nH+]c(NCCCn3cc[nH+]c3)n2)c[nH+]1 ZINC000742256667 579445830 /nfs/dbraw/zinc/44/58/30/579445830.db2.gz NLDZKSKZQFRHJH-UHFFFAOYSA-N 3 2 326.408 1.874 20 0 EDADLP C[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000742744938 579461203 /nfs/dbraw/zinc/46/12/03/579461203.db2.gz ADWZXEOYUGTCCC-UHFFFAOYSA-N 2 2 343.475 1.750 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC000726252660 578337968 /nfs/dbraw/zinc/33/79/68/578337968.db2.gz IWGZNLSJPSHXNE-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)C[NH+]1CCCCC1 ZINC000726252660 578337969 /nfs/dbraw/zinc/33/79/69/578337969.db2.gz IWGZNLSJPSHXNE-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000729598550 578583946 /nfs/dbraw/zinc/58/39/46/578583946.db2.gz FNDHHGMAUSAVJX-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@H](O)c2cccc(F)c2)nc[nH+]1 ZINC000729920132 578599434 /nfs/dbraw/zinc/59/94/34/578599434.db2.gz GMTCCXUNCHIYPL-CVEARBPZSA-N 2 2 345.422 1.949 20 0 EDADLP C[NH+]1CCC(CNC(=S)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000760475320 580031611 /nfs/dbraw/zinc/03/16/11/580031611.db2.gz NSJHXPRHWOUWAD-UHFFFAOYSA-N 2 2 347.532 1.856 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000732459250 578713527 /nfs/dbraw/zinc/71/35/27/578713527.db2.gz VBIWFMJELFQNSO-QGZVFWFLSA-N 2 2 340.512 1.663 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000732459250 578713528 /nfs/dbraw/zinc/71/35/28/578713528.db2.gz VBIWFMJELFQNSO-QGZVFWFLSA-N 2 2 340.512 1.663 20 0 EDADLP Cc1nc2c(cnn2C)c(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000732805222 578730550 /nfs/dbraw/zinc/73/05/50/578730550.db2.gz RLXQSAADNZYJNC-ZDUSSCGKSA-N 2 2 329.452 1.252 20 0 EDADLP Cc1nc2c(cnn2C)c(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000732805222 578730551 /nfs/dbraw/zinc/73/05/51/578730551.db2.gz RLXQSAADNZYJNC-ZDUSSCGKSA-N 2 2 329.452 1.252 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCC(CO)CC1 ZINC000760870606 580040228 /nfs/dbraw/zinc/04/02/28/580040228.db2.gz VHTJAJDLPJHIFD-UHFFFAOYSA-N 2 2 349.475 1.407 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCC(CO)CC1 ZINC000760870606 580040229 /nfs/dbraw/zinc/04/02/29/580040229.db2.gz VHTJAJDLPJHIFD-UHFFFAOYSA-N 2 2 349.475 1.407 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000735187333 578866602 /nfs/dbraw/zinc/86/66/02/578866602.db2.gz NVJZKJMKZRZRCU-ROUUACIJSA-N 2 2 346.475 1.141 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000735187333 578866603 /nfs/dbraw/zinc/86/66/03/578866603.db2.gz NVJZKJMKZRZRCU-ROUUACIJSA-N 2 2 346.475 1.141 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@H]4C[C@H]43)CC2)nc(C(C)C)[nH+]1 ZINC000761091414 580047828 /nfs/dbraw/zinc/04/78/28/580047828.db2.gz KCEJHDXKDHJODC-JKSUJKDBSA-N 2 2 343.475 1.651 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@H]4C[C@H]43)CC2)nc(C(C)C)[nH+]1 ZINC000761091414 580047829 /nfs/dbraw/zinc/04/78/29/580047829.db2.gz KCEJHDXKDHJODC-JKSUJKDBSA-N 2 2 343.475 1.651 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3[nH]nc4c3CCCC4)C2)CC1 ZINC000777192273 580436879 /nfs/dbraw/zinc/43/68/79/580436879.db2.gz WUYIKZOSFHDJHY-CQSZACIVSA-N 2 2 345.491 1.116 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3[nH]nc4c3CCCC4)C2)CC1 ZINC000777192273 580436880 /nfs/dbraw/zinc/43/68/80/580436880.db2.gz WUYIKZOSFHDJHY-CQSZACIVSA-N 2 2 345.491 1.116 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3n[nH]c4c3CCCC4)C2)CC1 ZINC000777192273 580436881 /nfs/dbraw/zinc/43/68/81/580436881.db2.gz WUYIKZOSFHDJHY-CQSZACIVSA-N 2 2 345.491 1.116 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3n[nH]c4c3CCCC4)C2)CC1 ZINC000777192273 580436882 /nfs/dbraw/zinc/43/68/82/580436882.db2.gz WUYIKZOSFHDJHY-CQSZACIVSA-N 2 2 345.491 1.116 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777536754 580443898 /nfs/dbraw/zinc/44/38/98/580443898.db2.gz OHMCURKXFPFAFX-QGZVFWFLSA-N 2 2 335.492 1.637 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777536754 580443899 /nfs/dbraw/zinc/44/38/99/580443899.db2.gz OHMCURKXFPFAFX-QGZVFWFLSA-N 2 2 335.492 1.637 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777536754 580443900 /nfs/dbraw/zinc/44/39/00/580443900.db2.gz OHMCURKXFPFAFX-QGZVFWFLSA-N 2 2 335.492 1.637 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777536754 580443901 /nfs/dbraw/zinc/44/39/01/580443901.db2.gz OHMCURKXFPFAFX-QGZVFWFLSA-N 2 2 335.492 1.637 20 0 EDADLP COc1cccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000752409121 579849090 /nfs/dbraw/zinc/84/90/90/579849090.db2.gz QWLBKOOMPCXUDU-UHFFFAOYSA-N 2 2 332.448 1.379 20 0 EDADLP Cc1ccc(NCCNc2[nH+]cnc3c2cnn3-c2ncccn2)[nH+]c1 ZINC000752634700 579862739 /nfs/dbraw/zinc/86/27/39/579862739.db2.gz IALVIQRZZXLUIV-UHFFFAOYSA-N 2 2 347.386 1.833 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754284414 579900324 /nfs/dbraw/zinc/90/03/24/579900324.db2.gz FJWPFALJAUFOHD-ZIAGYGMSSA-N 2 2 338.521 1.885 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCNc3ccccc3)C2)CC1 ZINC000754920137 579916048 /nfs/dbraw/zinc/91/60/48/579916048.db2.gz LZRUSLFEQPXWJI-KRWDZBQOSA-N 2 2 345.491 1.566 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCNc3ccccc3)C2)CC1 ZINC000754920137 579916049 /nfs/dbraw/zinc/91/60/49/579916049.db2.gz LZRUSLFEQPXWJI-KRWDZBQOSA-N 2 2 345.491 1.566 20 0 EDADLP COc1cccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000756124107 579944034 /nfs/dbraw/zinc/94/40/34/579944034.db2.gz CNEVGAWHUCLPPN-XYPWUTKMSA-N 2 2 344.459 1.473 20 0 EDADLP COc1cccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000756124107 579944035 /nfs/dbraw/zinc/94/40/35/579944035.db2.gz CNEVGAWHUCLPPN-XYPWUTKMSA-N 2 2 344.459 1.473 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CCO1 ZINC000757637505 579969398 /nfs/dbraw/zinc/96/93/98/579969398.db2.gz DOMYVYNZZRYLFP-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CCO1 ZINC000757637505 579969399 /nfs/dbraw/zinc/96/93/99/579969399.db2.gz DOMYVYNZZRYLFP-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCO1 ZINC000757637505 579969400 /nfs/dbraw/zinc/96/94/00/579969400.db2.gz DOMYVYNZZRYLFP-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCO1 ZINC000757637505 579969401 /nfs/dbraw/zinc/96/94/01/579969401.db2.gz DOMYVYNZZRYLFP-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000758692139 579989564 /nfs/dbraw/zinc/98/95/64/579989564.db2.gz ZJAQDZORMWCULC-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cn1cnc(-c2ccccn2)n1 ZINC000762499744 580076059 /nfs/dbraw/zinc/07/60/59/580076059.db2.gz AHBADAYVLAXCAH-DJIMGWMZSA-N 2 2 342.447 1.481 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cn1cnc(-c2ccccn2)n1 ZINC000762499744 580076060 /nfs/dbraw/zinc/07/60/60/580076060.db2.gz AHBADAYVLAXCAH-DJIMGWMZSA-N 2 2 342.447 1.481 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cn1cnc(-c2ccccn2)n1 ZINC000762499748 580076080 /nfs/dbraw/zinc/07/60/80/580076080.db2.gz AHBADAYVLAXCAH-HYVNUMGLSA-N 2 2 342.447 1.481 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cn1cnc(-c2ccccn2)n1 ZINC000762499748 580076081 /nfs/dbraw/zinc/07/60/81/580076081.db2.gz AHBADAYVLAXCAH-HYVNUMGLSA-N 2 2 342.447 1.481 20 0 EDADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000762787507 580083247 /nfs/dbraw/zinc/08/32/47/580083247.db2.gz MTHVTDIBEUVABU-ABAIWWIYSA-N 2 2 348.415 1.400 20 0 EDADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000762787507 580083248 /nfs/dbraw/zinc/08/32/48/580083248.db2.gz MTHVTDIBEUVABU-ABAIWWIYSA-N 2 2 348.415 1.400 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000765279431 580139152 /nfs/dbraw/zinc/13/91/52/580139152.db2.gz MHYOULMREYOHKY-ZBFHGGJFSA-N 2 2 337.489 1.321 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000765279431 580139153 /nfs/dbraw/zinc/13/91/53/580139153.db2.gz MHYOULMREYOHKY-ZBFHGGJFSA-N 2 2 337.489 1.321 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000766253337 580162814 /nfs/dbraw/zinc/16/28/14/580162814.db2.gz VCFCHILQMQOKHF-LSDHHAIUSA-N 2 2 342.447 1.891 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000766253337 580162815 /nfs/dbraw/zinc/16/28/15/580162815.db2.gz VCFCHILQMQOKHF-LSDHHAIUSA-N 2 2 342.447 1.891 20 0 EDADLP CCCn1c(CO)nn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000769842120 580246847 /nfs/dbraw/zinc/24/68/47/580246847.db2.gz PYFJZHPLFCXZLR-ZDUSSCGKSA-N 2 2 336.465 1.807 20 0 EDADLP CCCn1c(CO)nn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000769842120 580246848 /nfs/dbraw/zinc/24/68/48/580246848.db2.gz PYFJZHPLFCXZLR-ZDUSSCGKSA-N 2 2 336.465 1.807 20 0 EDADLP O=C1CCCN1C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000774912236 580377337 /nfs/dbraw/zinc/37/73/37/580377337.db2.gz FGQDWMWIPKOOJN-ROUUACIJSA-N 2 2 331.460 1.396 20 0 EDADLP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000783245937 580596451 /nfs/dbraw/zinc/59/64/51/580596451.db2.gz QILFYXPRKWFZDN-GDBMZVCRSA-N 2 2 337.489 1.511 20 0 EDADLP Cn1c[nH+]cc1Cc1noc([C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000783629462 580602947 /nfs/dbraw/zinc/60/29/47/580602947.db2.gz QFPLWCLWNWZYNS-SFHVURJKSA-N 2 2 339.399 1.487 20 0 EDADLP Cn1c[nH+]cc1Cc1noc([C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000783629462 580602948 /nfs/dbraw/zinc/60/29/48/580602948.db2.gz QFPLWCLWNWZYNS-SFHVURJKSA-N 2 2 339.399 1.487 20 0 EDADLP CC[C@H](C(=O)O[C@H](C)C(=O)N1CC[NH+](CC)CC1)[NH+](CC)CC ZINC000783782817 580606189 /nfs/dbraw/zinc/60/61/89/580606189.db2.gz JWTPFWDZJABNNA-HUUCEWRRSA-N 2 2 327.469 1.203 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)CCOCc2ccccc2)C1 ZINC000783992754 580610802 /nfs/dbraw/zinc/61/08/02/580610802.db2.gz ZXWAXAMKWZWFAV-KRWDZBQOSA-N 2 2 342.443 1.842 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)CCOCc2ccccc2)C1 ZINC000783992754 580610803 /nfs/dbraw/zinc/61/08/03/580610803.db2.gz ZXWAXAMKWZWFAV-KRWDZBQOSA-N 2 2 342.443 1.842 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783994684 580611113 /nfs/dbraw/zinc/61/11/13/580611113.db2.gz LZUAEGLYZKDCBZ-HNNXBMFYSA-N 3 2 330.436 1.221 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783994684 580611114 /nfs/dbraw/zinc/61/11/14/580611114.db2.gz LZUAEGLYZKDCBZ-HNNXBMFYSA-N 3 2 330.436 1.221 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C[C@@H](c2cncn2C)CC1=O ZINC000783994684 580611115 /nfs/dbraw/zinc/61/11/15/580611115.db2.gz LZUAEGLYZKDCBZ-HNNXBMFYSA-N 2 2 330.436 1.221 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C[C@@H](c2cncn2C)CC1=O ZINC000783994684 580611116 /nfs/dbraw/zinc/61/11/16/580611116.db2.gz LZUAEGLYZKDCBZ-HNNXBMFYSA-N 2 2 330.436 1.221 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000786975712 580685731 /nfs/dbraw/zinc/68/57/31/580685731.db2.gz RTXLHWNTVDRQDG-ZBFHGGJFSA-N 2 2 332.448 1.205 20 0 EDADLP C[NH+](C)C1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787705065 580702431 /nfs/dbraw/zinc/70/24/31/580702431.db2.gz JFAWQZCVPVVETP-MAUKXSAKSA-N 2 2 341.496 1.773 20 0 EDADLP CC(C)(C)OC(=O)NC1(CO)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000788005475 580712952 /nfs/dbraw/zinc/71/29/52/580712952.db2.gz YNFNJGBTUVZMOE-UHFFFAOYSA-N 2 2 338.452 1.625 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000794417584 580891633 /nfs/dbraw/zinc/89/16/33/580891633.db2.gz QWSHJRDXKIHYSG-KBPBESRZSA-N 2 2 338.452 1.865 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000794417584 580891634 /nfs/dbraw/zinc/89/16/34/580891634.db2.gz QWSHJRDXKIHYSG-KBPBESRZSA-N 2 2 338.452 1.865 20 0 EDADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000799738111 581035676 /nfs/dbraw/zinc/03/56/76/581035676.db2.gz VASMNKFNLROKLK-KDOFPFPSSA-N 2 2 330.476 1.836 20 0 EDADLP O=C(OCCC[NH+]1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000800172011 581046094 /nfs/dbraw/zinc/04/60/94/581046094.db2.gz BPIFWCMCZPLXMT-SFHVURJKSA-N 2 2 332.444 1.917 20 0 EDADLP O=C(OCCC[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000800172011 581046095 /nfs/dbraw/zinc/04/60/95/581046095.db2.gz BPIFWCMCZPLXMT-SFHVURJKSA-N 2 2 332.444 1.917 20 0 EDADLP CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000800456735 581053275 /nfs/dbraw/zinc/05/32/75/581053275.db2.gz MTYCEACFOASBGW-OAHLLOKOSA-N 2 2 334.445 1.666 20 0 EDADLP CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000800456735 581053276 /nfs/dbraw/zinc/05/32/76/581053276.db2.gz MTYCEACFOASBGW-OAHLLOKOSA-N 2 2 334.445 1.666 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000801155451 581066774 /nfs/dbraw/zinc/06/67/74/581066774.db2.gz LECFOTAKAAIXCM-UHFFFAOYSA-N 2 2 349.475 1.701 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000892017018 590748679 /nfs/dbraw/zinc/74/86/79/590748679.db2.gz PEIAPZOXMAGZBR-ZWKOTPCHSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000892017018 590748682 /nfs/dbraw/zinc/74/86/82/590748682.db2.gz PEIAPZOXMAGZBR-ZWKOTPCHSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])C2)cc1 ZINC000892056199 590776129 /nfs/dbraw/zinc/77/61/29/590776129.db2.gz QOLNIKZMVLOCKR-WBVHZDCISA-N 2 2 334.464 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])C2)cc1 ZINC000892056199 590776131 /nfs/dbraw/zinc/77/61/31/590776131.db2.gz QOLNIKZMVLOCKR-WBVHZDCISA-N 2 2 334.464 1.232 20 0 EDADLP C[C@H](C[NH3+])NC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000892062243 590778016 /nfs/dbraw/zinc/77/80/16/590778016.db2.gz OZXFBIRNUQFKGR-OAHLLOKOSA-N 2 2 327.432 1.735 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC/C=C\C[NH3+])C2)cc1 ZINC000892120549 590810178 /nfs/dbraw/zinc/81/01/78/590810178.db2.gz BAZXPWKPEROWQU-BAHPRDJBSA-N 2 2 332.448 1.010 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC/C=C\C[NH3+])C2)cc1 ZINC000892120549 590810183 /nfs/dbraw/zinc/81/01/83/590810183.db2.gz BAZXPWKPEROWQU-BAHPRDJBSA-N 2 2 332.448 1.010 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000892403384 591012878 /nfs/dbraw/zinc/01/28/78/591012878.db2.gz AHTJMEIURSALIP-IRXDYDNUSA-N 2 2 341.459 1.879 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000893706831 591056100 /nfs/dbraw/zinc/05/61/00/591056100.db2.gz KCXHRMUZACTMLK-LSDHHAIUSA-N 2 2 341.496 1.725 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@@H]1C(F)(F)F ZINC000891363130 591060772 /nfs/dbraw/zinc/06/07/72/591060772.db2.gz FGFYJVGQNQZMOB-NEPJUHHUSA-N 2 2 345.369 1.662 20 0 EDADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000892593638 591085248 /nfs/dbraw/zinc/08/52/48/591085248.db2.gz XLFXXWBRRRXVGU-JYYAWHABSA-N 2 2 330.432 1.775 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000892608718 591092674 /nfs/dbraw/zinc/09/26/74/591092674.db2.gz HKMPXNKTXBEENM-MJGOQNOKSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000892608718 591092678 /nfs/dbraw/zinc/09/26/78/591092678.db2.gz HKMPXNKTXBEENM-MJGOQNOKSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000892610491 591094594 /nfs/dbraw/zinc/09/45/94/591094594.db2.gz CAGBAMQRBWZIGC-MSOLQXFVSA-N 2 2 346.475 1.329 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000892610491 591094599 /nfs/dbraw/zinc/09/45/99/591094599.db2.gz CAGBAMQRBWZIGC-MSOLQXFVSA-N 2 2 346.475 1.329 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000892616565 591098427 /nfs/dbraw/zinc/09/84/27/591098427.db2.gz WFJTZWPYXRRKGH-QGZVFWFLSA-N 2 2 328.460 1.958 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000892616565 591098431 /nfs/dbraw/zinc/09/84/31/591098431.db2.gz WFJTZWPYXRRKGH-QGZVFWFLSA-N 2 2 328.460 1.958 20 0 EDADLP C[C@H](Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000892640176 591107327 /nfs/dbraw/zinc/10/73/27/591107327.db2.gz KXEUDWXSELXSIP-UONOGXRCSA-N 2 2 338.477 1.069 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000892714451 591144243 /nfs/dbraw/zinc/14/42/43/591144243.db2.gz OLWVIOSAQXQJIJ-UHFFFAOYSA-N 2 2 336.383 1.112 20 0 EDADLP C[NH2+]CCN(C)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000892713656 591144394 /nfs/dbraw/zinc/14/43/94/591144394.db2.gz GKEZCYUUXGGUKL-UHFFFAOYSA-N 2 2 341.459 1.949 20 0 EDADLP Nc1nc(N2CCC(OCC[NH+]3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000892761582 591164339 /nfs/dbraw/zinc/16/43/39/591164339.db2.gz WBBZHCXCZVDIPV-UHFFFAOYSA-N 2 2 332.452 1.412 20 0 EDADLP Nc1nc(C2CC2)[nH+]c(N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000892761582 591164340 /nfs/dbraw/zinc/16/43/40/591164340.db2.gz WBBZHCXCZVDIPV-UHFFFAOYSA-N 2 2 332.452 1.412 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)C1(F)F ZINC000894001790 591164670 /nfs/dbraw/zinc/16/46/70/591164670.db2.gz MLWDRKDKVDQYFA-OCCSQVGLSA-N 2 2 341.358 1.267 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892793417 591178100 /nfs/dbraw/zinc/17/81/00/591178100.db2.gz MHSAGYZUHXUVGU-INIZCTEOSA-N 2 2 333.480 1.330 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892793417 591178102 /nfs/dbraw/zinc/17/81/02/591178102.db2.gz MHSAGYZUHXUVGU-INIZCTEOSA-N 2 2 333.480 1.330 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000892819918 591191453 /nfs/dbraw/zinc/19/14/53/591191453.db2.gz TXTWSGNPBDNVCB-HUUCEWRRSA-N 2 2 343.431 1.305 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000892819918 591191456 /nfs/dbraw/zinc/19/14/56/591191456.db2.gz TXTWSGNPBDNVCB-HUUCEWRRSA-N 2 2 343.431 1.305 20 0 EDADLP CC1(C)CC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[NH2+]C1 ZINC000891709323 591195564 /nfs/dbraw/zinc/19/55/64/591195564.db2.gz PTTSNBYQWAKIFZ-HUUCEWRRSA-N 2 2 331.464 1.738 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000892837683 591200663 /nfs/dbraw/zinc/20/06/63/591200663.db2.gz FGZMRXAWHIXFOR-IKGGRYGDSA-N 2 2 340.512 1.469 20 0 EDADLP NC(=O)C1CC[NH+](CCc2ccc(NCc3c[nH+]c[nH]3)cc2)CC1 ZINC000894122759 591201127 /nfs/dbraw/zinc/20/11/27/591201127.db2.gz NSXKLYDWTYMBAR-UHFFFAOYSA-N 2 2 327.432 1.762 20 0 EDADLP NC(=O)C1CC[NH+](CCc2ccc(NCc3c[nH]c[nH+]3)cc2)CC1 ZINC000894122759 591201130 /nfs/dbraw/zinc/20/11/30/591201130.db2.gz NSXKLYDWTYMBAR-UHFFFAOYSA-N 2 2 327.432 1.762 20 0 EDADLP CNC(=O)c1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ccn1 ZINC000892949295 591236646 /nfs/dbraw/zinc/23/66/46/591236646.db2.gz QNBUURJPIQUANE-UHFFFAOYSA-N 2 2 345.491 1.436 20 0 EDADLP CC[C@H](CCO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893015249 591254867 /nfs/dbraw/zinc/25/48/67/591254867.db2.gz WMXUWGZTYGLJOL-CQSZACIVSA-N 2 2 329.485 1.726 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895907446 591301839 /nfs/dbraw/zinc/30/18/39/591301839.db2.gz BWRYCLDUOBXKOO-KRWDZBQOSA-N 2 2 326.400 1.209 20 0 EDADLP c1cn(C2CC2)c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000896030106 591327614 /nfs/dbraw/zinc/32/76/14/591327614.db2.gz IITOYLPIONXKEX-INIZCTEOSA-N 2 2 333.480 1.104 20 0 EDADLP COC(=O)[C@@H]1[C@H](C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)C1(F)F ZINC000894639169 591375019 /nfs/dbraw/zinc/37/50/19/591375019.db2.gz ZCWGGPSFVLJRDQ-FZMZJTMJSA-N 2 2 341.358 1.267 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898504272 591390564 /nfs/dbraw/zinc/39/05/64/591390564.db2.gz PKMKZYCNQGQYEX-VXGBXAGGSA-N 2 2 336.333 1.927 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898504272 591390569 /nfs/dbraw/zinc/39/05/69/591390569.db2.gz PKMKZYCNQGQYEX-VXGBXAGGSA-N 2 2 336.333 1.927 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898593287 591427758 /nfs/dbraw/zinc/42/77/58/591427758.db2.gz XMECNYVOYUBFHD-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898593287 591427761 /nfs/dbraw/zinc/42/77/61/591427761.db2.gz XMECNYVOYUBFHD-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000894872798 591452545 /nfs/dbraw/zinc/45/25/45/591452545.db2.gz ITAYCKLPHQLGNM-OAHLLOKOSA-N 2 2 327.469 1.290 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000894872798 591452546 /nfs/dbraw/zinc/45/25/46/591452546.db2.gz ITAYCKLPHQLGNM-OAHLLOKOSA-N 2 2 327.469 1.290 20 0 EDADLP Cc1cccc(NCCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[nH+]1 ZINC000896447817 591470318 /nfs/dbraw/zinc/47/03/18/591470318.db2.gz VUXXDEOWLGXWNB-HNNXBMFYSA-N 2 2 328.420 1.722 20 0 EDADLP Cc1cccc(NCCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[nH+]1 ZINC000896447817 591470319 /nfs/dbraw/zinc/47/03/19/591470319.db2.gz VUXXDEOWLGXWNB-HNNXBMFYSA-N 2 2 328.420 1.722 20 0 EDADLP Cc1cccc(NCCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)[nH+]1 ZINC000896447817 591470323 /nfs/dbraw/zinc/47/03/23/591470323.db2.gz VUXXDEOWLGXWNB-HNNXBMFYSA-N 2 2 328.420 1.722 20 0 EDADLP Cc1cccc(NCCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)[nH+]1 ZINC000896447817 591470327 /nfs/dbraw/zinc/47/03/27/591470327.db2.gz VUXXDEOWLGXWNB-HNNXBMFYSA-N 2 2 328.420 1.722 20 0 EDADLP Cc1ccc(NCCNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)[nH+]c1 ZINC000896455383 591472502 /nfs/dbraw/zinc/47/25/02/591472502.db2.gz FXVDSCHWPZMHMS-HUUCEWRRSA-N 2 2 342.447 1.911 20 0 EDADLP Cc1ccc(NCCNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)[nH+]c1 ZINC000896455383 591472508 /nfs/dbraw/zinc/47/25/08/591472508.db2.gz FXVDSCHWPZMHMS-HUUCEWRRSA-N 2 2 342.447 1.911 20 0 EDADLP COc1nccc(C[NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)n1 ZINC000898720265 591483600 /nfs/dbraw/zinc/48/36/00/591483600.db2.gz LGGIFZLBGILJQD-SNVBAGLBSA-N 2 2 338.209 1.549 20 0 EDADLP CC(=O)N1CCC([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)CC1 ZINC000898725444 591490657 /nfs/dbraw/zinc/49/06/57/591490657.db2.gz UAYRYKUNTWIEAK-LBPRGKRZSA-N 2 2 341.253 1.561 20 0 EDADLP Brc1c[nH+]ccc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896523214 591491947 /nfs/dbraw/zinc/49/19/47/591491947.db2.gz SKFYPFBJTWSVRR-GFCCVEGCSA-N 2 2 326.238 1.931 20 0 EDADLP Brc1c[nH+]ccc1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896523214 591491950 /nfs/dbraw/zinc/49/19/50/591491950.db2.gz SKFYPFBJTWSVRR-GFCCVEGCSA-N 2 2 326.238 1.931 20 0 EDADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C12CCC2 ZINC000898836977 591547056 /nfs/dbraw/zinc/54/70/56/591547056.db2.gz YKHQTYUKIQFUJD-JKSUJKDBSA-N 2 2 325.416 1.870 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCCC[NH+](C)C2)[C@@H](C)CO1 ZINC000897559055 591552904 /nfs/dbraw/zinc/55/29/04/591552904.db2.gz QOVMFDQPUMFNSR-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCCC[NH+](C)C2)[C@@H](C)CO1 ZINC000897559055 591552908 /nfs/dbraw/zinc/55/29/08/591552908.db2.gz QOVMFDQPUMFNSR-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)[C@@H](C)CO1 ZINC000897559055 591552910 /nfs/dbraw/zinc/55/29/10/591552910.db2.gz QOVMFDQPUMFNSR-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)[C@@H](C)CO1 ZINC000897559055 591552915 /nfs/dbraw/zinc/55/29/15/591552915.db2.gz QOVMFDQPUMFNSR-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP CC(=O)c1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000896989945 591702388 /nfs/dbraw/zinc/70/23/88/591702388.db2.gz XYSAPOYVVQTJJV-GOSISDBHSA-N 2 2 344.459 1.525 20 0 EDADLP CC(=O)c1cncc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000896989945 591702393 /nfs/dbraw/zinc/70/23/93/591702393.db2.gz XYSAPOYVVQTJJV-GOSISDBHSA-N 2 2 344.459 1.525 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000899246279 591748458 /nfs/dbraw/zinc/74/84/58/591748458.db2.gz ZEPXIBLYNWBLCG-QILLFSRXSA-N 2 2 327.432 1.630 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897143941 591754128 /nfs/dbraw/zinc/75/41/28/591754128.db2.gz IWGSSILANGFQHT-INIZCTEOSA-N 2 2 330.436 1.844 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000897143941 591754133 /nfs/dbraw/zinc/75/41/33/591754133.db2.gz IWGSSILANGFQHT-INIZCTEOSA-N 2 2 330.436 1.844 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897219965 591774617 /nfs/dbraw/zinc/77/46/17/591774617.db2.gz QUDGJGJMSPULQJ-HUUCEWRRSA-N 2 2 332.448 1.706 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219965 591774621 /nfs/dbraw/zinc/77/46/21/591774621.db2.gz QUDGJGJMSPULQJ-HUUCEWRRSA-N 2 2 332.448 1.706 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284798 591853391 /nfs/dbraw/zinc/85/33/91/591853391.db2.gz PGFQCPFZGHONCA-CXAGYDPISA-N 2 2 337.489 1.655 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284798 591853392 /nfs/dbraw/zinc/85/33/92/591853392.db2.gz PGFQCPFZGHONCA-CXAGYDPISA-N 2 2 337.489 1.655 20 0 EDADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000898308274 591865644 /nfs/dbraw/zinc/86/56/44/591865644.db2.gz VZNKUMAKRCOSIK-UHFFFAOYSA-N 2 2 326.510 1.999 20 0 EDADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000898308274 591865650 /nfs/dbraw/zinc/86/56/50/591865650.db2.gz VZNKUMAKRCOSIK-UHFFFAOYSA-N 2 2 326.510 1.999 20 0 EDADLP C[NH2+][C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)Cc1ccccc1 ZINC000900019490 591870751 /nfs/dbraw/zinc/87/07/51/591870751.db2.gz BDQAOOQUHOUJQP-MRXNPFEDSA-N 2 2 327.432 1.556 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1-c1[nH]cc[nH+]1 ZINC000909637402 591877226 /nfs/dbraw/zinc/87/72/26/591877226.db2.gz HCTGOLPZWWUELW-CQSZACIVSA-N 2 2 328.416 1.661 20 0 EDADLP C/C(=C/C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C[NH+]1CCOCC1 ZINC000900121132 591906847 /nfs/dbraw/zinc/90/68/47/591906847.db2.gz QKZKVDUMHZMTOD-GDNBJRDFSA-N 2 2 341.415 1.162 20 0 EDADLP C[C@@]12C(=O)N(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000902152013 591930095 /nfs/dbraw/zinc/93/00/95/591930095.db2.gz XUBLWOUVPUJMJN-LCEIHVTHSA-N 2 2 340.427 1.675 20 0 EDADLP C[C@@]12C(=O)N(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000902152013 591930097 /nfs/dbraw/zinc/93/00/97/591930097.db2.gz XUBLWOUVPUJMJN-LCEIHVTHSA-N 2 2 340.427 1.675 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900301070 591980064 /nfs/dbraw/zinc/98/00/64/591980064.db2.gz KHIBZAXWGCULJB-UHFFFAOYSA-N 2 2 334.464 1.589 20 0 EDADLP C[C@H]1C[N@H+](CN2C[C@]3(CCCOC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000902370664 591982089 /nfs/dbraw/zinc/98/20/89/591982089.db2.gz MLTPKGHKIGKCKI-YJBOKZPZSA-N 2 2 330.432 1.189 20 0 EDADLP C[C@H]1C[N@@H+](CN2C[C@]3(CCCOC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000902370664 591982093 /nfs/dbraw/zinc/98/20/93/591982093.db2.gz MLTPKGHKIGKCKI-YJBOKZPZSA-N 2 2 330.432 1.189 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Cc3c[nH]c[nH+]3)c2)CCO1 ZINC000900369597 591998910 /nfs/dbraw/zinc/99/89/10/591998910.db2.gz UJGGMDVYMRQTRJ-AWEZNQCLSA-N 2 2 328.416 1.489 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Cc3c[nH]c[nH+]3)c2)CCO1 ZINC000900369597 591998912 /nfs/dbraw/zinc/99/89/12/591998912.db2.gz UJGGMDVYMRQTRJ-AWEZNQCLSA-N 2 2 328.416 1.489 20 0 EDADLP Cn1ncc2c1nc(N1CCC([C@@H]3CCC[NH2+]CC3)CC1)[nH+]c2N ZINC000900381803 592002499 /nfs/dbraw/zinc/00/24/99/592002499.db2.gz JCRCMSBATYQPJB-GFCCVEGCSA-N 2 2 329.452 1.552 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900439946 592019213 /nfs/dbraw/zinc/01/92/13/592019213.db2.gz UCMBUCNIVVJOSG-KRWDZBQOSA-N 2 2 343.431 1.056 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900439946 592019215 /nfs/dbraw/zinc/01/92/15/592019215.db2.gz UCMBUCNIVVJOSG-KRWDZBQOSA-N 2 2 343.431 1.056 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H](O)c3cccc(F)c3)nn2)CC1 ZINC000900582458 592058720 /nfs/dbraw/zinc/05/87/20/592058720.db2.gz NKNFBQAXCSNOPB-QGZVFWFLSA-N 2 2 333.411 1.335 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)nn1 ZINC000902862342 592077312 /nfs/dbraw/zinc/07/73/12/592077312.db2.gz ZJNORDYFQFUSKC-UONOGXRCSA-N 2 2 344.467 1.839 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000900665764 592085665 /nfs/dbraw/zinc/08/56/65/592085665.db2.gz ABHXORDNLVEKDO-IPMKNSEASA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000900665764 592085668 /nfs/dbraw/zinc/08/56/68/592085668.db2.gz ABHXORDNLVEKDO-IPMKNSEASA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000900744107 592114960 /nfs/dbraw/zinc/11/49/60/592114960.db2.gz JHEBLZOGUFRPRO-BPQIPLTHSA-N 2 2 333.476 1.593 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000900744107 592114961 /nfs/dbraw/zinc/11/49/61/592114961.db2.gz JHEBLZOGUFRPRO-BPQIPLTHSA-N 2 2 333.476 1.593 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178255 592131524 /nfs/dbraw/zinc/13/15/24/592131524.db2.gz VLNZLIHTPLEJBN-LSDHHAIUSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178255 592131525 /nfs/dbraw/zinc/13/15/25/592131525.db2.gz VLNZLIHTPLEJBN-LSDHHAIUSA-N 2 2 341.496 1.869 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000900813762 592134437 /nfs/dbraw/zinc/13/44/37/592134437.db2.gz HCSDKUSVRAIBGZ-KBXCAEBGSA-N 2 2 328.416 1.218 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000900813762 592134440 /nfs/dbraw/zinc/13/44/40/592134440.db2.gz HCSDKUSVRAIBGZ-KBXCAEBGSA-N 2 2 328.416 1.218 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000903432858 592169007 /nfs/dbraw/zinc/16/90/07/592169007.db2.gz NUDMIIAOWVZEKX-CABCVRRESA-N 2 2 340.489 1.646 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000903432858 592169010 /nfs/dbraw/zinc/16/90/10/592169010.db2.gz NUDMIIAOWVZEKX-CABCVRRESA-N 2 2 340.489 1.646 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000903441041 592170053 /nfs/dbraw/zinc/17/00/53/592170053.db2.gz HQOTWPDNIWUSSN-CABCVRRESA-N 2 2 334.439 1.237 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903468693 592174601 /nfs/dbraw/zinc/17/46/01/592174601.db2.gz NXXHPNMGIZVMBW-MRXNPFEDSA-N 2 2 331.460 1.673 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903467835 592174793 /nfs/dbraw/zinc/17/47/93/592174793.db2.gz DZVAJETZANFDAH-INIZCTEOSA-N 2 2 335.423 1.537 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1)c1ccc(=O)[nH]n1 ZINC000903478643 592176024 /nfs/dbraw/zinc/17/60/24/592176024.db2.gz HWEFKXSRRXBVCR-RKDXNWHRSA-N 2 2 338.209 1.807 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485381 592177975 /nfs/dbraw/zinc/17/79/75/592177975.db2.gz MSKSCYBVLQHQRC-QLFBSQMISA-N 2 2 336.480 1.655 20 0 EDADLP Cc1cccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)c1Cl ZINC000903566046 592212652 /nfs/dbraw/zinc/21/26/52/592212652.db2.gz YAIYOLOUJKCIJI-UHFFFAOYSA-N 2 2 331.869 1.350 20 0 EDADLP C[C@]1(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]C1 ZINC000904332919 592232451 /nfs/dbraw/zinc/23/24/51/592232451.db2.gz UCPVMSYUNAFGLO-SJORKVTESA-N 2 2 343.537 1.703 20 0 EDADLP C[C@]1(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]C1 ZINC000904332919 592232457 /nfs/dbraw/zinc/23/24/57/592232457.db2.gz UCPVMSYUNAFGLO-SJORKVTESA-N 2 2 343.537 1.703 20 0 EDADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000904379689 592246271 /nfs/dbraw/zinc/24/62/71/592246271.db2.gz BZTMNAQUTSTUPA-BMFZPTHFSA-N 3 2 338.496 1.397 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469012 592267862 /nfs/dbraw/zinc/26/78/62/592267862.db2.gz HXIHMAMCTLBHLN-WMZOPIPTSA-N 2 2 340.475 1.913 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469012 592267865 /nfs/dbraw/zinc/26/78/65/592267865.db2.gz HXIHMAMCTLBHLN-WMZOPIPTSA-N 2 2 340.475 1.913 20 0 EDADLP Cn1cnc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccccc3)C[C@H]2[NH3+])c1 ZINC000904491291 592271733 /nfs/dbraw/zinc/27/17/33/592271733.db2.gz MRYZHRUNIHSBRA-IAGOWNOFSA-N 2 2 336.443 1.747 20 0 EDADLP Cn1cnc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccccc3)C[C@H]2[NH3+])c1 ZINC000904491291 592271735 /nfs/dbraw/zinc/27/17/35/592271735.db2.gz MRYZHRUNIHSBRA-IAGOWNOFSA-N 2 2 336.443 1.747 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)ccc2n1C1CC1 ZINC000908057901 592278072 /nfs/dbraw/zinc/27/80/72/592278072.db2.gz AHRGMBZJRQBOAM-DNVCBOLYSA-N 2 2 342.443 1.751 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)ccc2n1C1CC1 ZINC000908057901 592278073 /nfs/dbraw/zinc/27/80/73/592278073.db2.gz AHRGMBZJRQBOAM-DNVCBOLYSA-N 2 2 342.443 1.751 20 0 EDADLP Cn1ccnc1C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC12CC[NH2+]CC2 ZINC000903746481 592293234 /nfs/dbraw/zinc/29/32/34/592293234.db2.gz ZGMLBPBGWYWYKK-LTIDMASMSA-N 2 2 346.475 1.168 20 0 EDADLP Cn1ccnc1C[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC12CC[NH2+]CC2 ZINC000903746481 592293237 /nfs/dbraw/zinc/29/32/37/592293237.db2.gz ZGMLBPBGWYWYKK-LTIDMASMSA-N 2 2 346.475 1.168 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)C[C@H]21 ZINC000908074128 592307972 /nfs/dbraw/zinc/30/79/72/592307972.db2.gz QOFCGOSEFTUUBW-SJORKVTESA-N 2 2 342.443 1.836 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)C[C@H]21 ZINC000908074128 592307975 /nfs/dbraw/zinc/30/79/75/592307975.db2.gz QOFCGOSEFTUUBW-SJORKVTESA-N 2 2 342.443 1.836 20 0 EDADLP C[NH+]1CCN(c2ccnc(-c3noc(C[C@@H]([NH3+])C(F)F)n3)c2)CC1 ZINC000904670712 592309405 /nfs/dbraw/zinc/30/94/05/592309405.db2.gz BAJJCHOCKLMBGB-LLVKDONJSA-N 2 2 338.362 1.018 20 0 EDADLP COCc1n[nH]c([C@@H]2CCCC[N@@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)n1 ZINC000903758801 592314761 /nfs/dbraw/zinc/31/47/61/592314761.db2.gz MSAYKDMKIWXBAX-KEYYUXOJSA-N 2 2 335.452 1.247 20 0 EDADLP COCc1n[nH]c([C@@H]2CCCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)n1 ZINC000903758801 592314765 /nfs/dbraw/zinc/31/47/65/592314765.db2.gz MSAYKDMKIWXBAX-KEYYUXOJSA-N 2 2 335.452 1.247 20 0 EDADLP CCNC(=O)C[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@@H]1C(=O)OCC ZINC000903794988 592316893 /nfs/dbraw/zinc/31/68/93/592316893.db2.gz HLLQZVYJSRSQRV-DLBZAZTESA-N 2 2 347.459 1.166 20 0 EDADLP CCNC(=O)C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@@H]1C(=O)OCC ZINC000903794988 592316899 /nfs/dbraw/zinc/31/68/99/592316899.db2.gz HLLQZVYJSRSQRV-DLBZAZTESA-N 2 2 347.459 1.166 20 0 EDADLP COc1ccccc1OCC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903885206 592363834 /nfs/dbraw/zinc/36/38/34/592363834.db2.gz JMMFPSDVALDKGV-HNNXBMFYSA-N 2 2 345.447 1.722 20 0 EDADLP COc1ccccc1OCC[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903885206 592363839 /nfs/dbraw/zinc/36/38/39/592363839.db2.gz JMMFPSDVALDKGV-HNNXBMFYSA-N 2 2 345.447 1.722 20 0 EDADLP O[C@@H](C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1)C(F)(F)F ZINC000903896334 592367332 /nfs/dbraw/zinc/36/73/32/592367332.db2.gz BCRXQOQNDNBWDP-JSGCOSHPSA-N 2 2 347.385 1.338 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1n1cc[nH+]c1 ZINC000903898141 592369583 /nfs/dbraw/zinc/36/95/83/592369583.db2.gz JRQAUPAZOLEXCA-BFYDXBDKSA-N 3 2 329.452 1.482 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1n1cc[nH+]c1 ZINC000903898141 592369589 /nfs/dbraw/zinc/36/95/89/592369589.db2.gz JRQAUPAZOLEXCA-BFYDXBDKSA-N 3 2 329.452 1.482 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cnn1C ZINC000903903894 592371297 /nfs/dbraw/zinc/37/12/97/592371297.db2.gz YJQZEKNRKGGIMM-QUCCMNQESA-N 2 2 342.487 1.789 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cnn1C ZINC000903903894 592371300 /nfs/dbraw/zinc/37/13/00/592371300.db2.gz YJQZEKNRKGGIMM-QUCCMNQESA-N 2 2 342.487 1.789 20 0 EDADLP CCn1nc(C)c(C[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)c1C ZINC000903936157 592385996 /nfs/dbraw/zinc/38/59/96/592385996.db2.gz YULMNCQHXRIVHC-HNNXBMFYSA-N 2 2 331.468 1.668 20 0 EDADLP CCn1nc(C)c(C[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)c1C ZINC000903936157 592386001 /nfs/dbraw/zinc/38/60/01/592386001.db2.gz YULMNCQHXRIVHC-HNNXBMFYSA-N 2 2 331.468 1.668 20 0 EDADLP [NH3+]CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903953157 592394479 /nfs/dbraw/zinc/39/44/79/592394479.db2.gz BDCCAFVYWPLHGB-HNNXBMFYSA-N 3 2 338.883 1.298 20 0 EDADLP [NH3+]CC[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903953157 592394483 /nfs/dbraw/zinc/39/44/83/592394483.db2.gz BDCCAFVYWPLHGB-HNNXBMFYSA-N 3 2 338.883 1.298 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955568 592395542 /nfs/dbraw/zinc/39/55/42/592395542.db2.gz WAHDBCOHQOSEHT-AWEZNQCLSA-N 2 2 341.402 1.488 20 0 EDADLP CC1(C)C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@H]1[NH3+] ZINC000903986916 592406286 /nfs/dbraw/zinc/40/62/86/592406286.db2.gz SUNXRXLPWNTMHG-QGZVFWFLSA-N 2 2 331.460 1.761 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@H]1[NH3+] ZINC000903986916 592406290 /nfs/dbraw/zinc/40/62/90/592406290.db2.gz SUNXRXLPWNTMHG-QGZVFWFLSA-N 2 2 331.460 1.761 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905158913 592425497 /nfs/dbraw/zinc/42/54/97/592425497.db2.gz LRKPGZUHDATJJC-AZOIQLNYSA-N 2 2 329.444 1.980 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905158913 592425503 /nfs/dbraw/zinc/42/55/03/592425503.db2.gz LRKPGZUHDATJJC-AZOIQLNYSA-N 2 2 329.444 1.980 20 0 EDADLP CN(C(=O)CCC(N)=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000907125627 592522010 /nfs/dbraw/zinc/52/20/10/592522010.db2.gz YXXRHQPKDQQQCS-CVEARBPZSA-N 2 2 338.496 1.048 20 0 EDADLP CN(C(=O)CCC(N)=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000907125627 592522011 /nfs/dbraw/zinc/52/20/11/592522011.db2.gz YXXRHQPKDQQQCS-CVEARBPZSA-N 2 2 338.496 1.048 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)COc1ccc(F)cc1 ZINC000905626436 592589963 /nfs/dbraw/zinc/58/99/63/592589963.db2.gz VGTZVMHJXLEDIP-IRXDYDNUSA-N 2 2 338.423 1.408 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)COc1ccc(F)cc1 ZINC000905626436 592589965 /nfs/dbraw/zinc/58/99/65/592589965.db2.gz VGTZVMHJXLEDIP-IRXDYDNUSA-N 2 2 338.423 1.408 20 0 EDADLP OCC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)CCCC1 ZINC000905617910 592595256 /nfs/dbraw/zinc/59/52/56/592595256.db2.gz GGJBACRSAVLNNC-IAGOWNOFSA-N 2 2 326.481 1.133 20 0 EDADLP OCC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)CCCC1 ZINC000905617910 592595258 /nfs/dbraw/zinc/59/52/58/592595258.db2.gz GGJBACRSAVLNNC-IAGOWNOFSA-N 2 2 326.481 1.133 20 0 EDADLP O[C@H](C[NH2+][C@@H]1Cc2ccccc2[C@H]1O)C[N@@H+]1CCc2ccccc2C1 ZINC000905707907 592618428 /nfs/dbraw/zinc/61/84/28/592618428.db2.gz LTFOPQLHRMPXNJ-HMXCVIKNSA-N 2 2 338.451 1.654 20 0 EDADLP O[C@H](C[NH2+][C@@H]1Cc2ccccc2[C@H]1O)C[N@H+]1CCc2ccccc2C1 ZINC000905707907 592618431 /nfs/dbraw/zinc/61/84/31/592618431.db2.gz LTFOPQLHRMPXNJ-HMXCVIKNSA-N 2 2 338.451 1.654 20 0 EDADLP Cc1cccn2cc(Cn3cc(CN4CCC([NH3+])CC4)nn3)[nH+]c12 ZINC000905793225 592642955 /nfs/dbraw/zinc/64/29/55/592642955.db2.gz MYYMBUMKRSDURW-UHFFFAOYSA-N 2 2 325.420 1.206 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC)C[C@H]2CC)C1 ZINC000909212065 592771337 /nfs/dbraw/zinc/77/13/37/592771337.db2.gz HMSAZPRMMQUJIG-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC)C[C@H]2CC)C1 ZINC000909212065 592771340 /nfs/dbraw/zinc/77/13/40/592771340.db2.gz HMSAZPRMMQUJIG-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](CC)C[C@H]2CC)C1 ZINC000909212065 592771343 /nfs/dbraw/zinc/77/13/43/592771343.db2.gz HMSAZPRMMQUJIG-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CC)C[C@H]2CC)C1 ZINC000909212065 592771345 /nfs/dbraw/zinc/77/13/45/592771345.db2.gz HMSAZPRMMQUJIG-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CC(=O)CCn1cc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)nn1 ZINC000906297784 592784638 /nfs/dbraw/zinc/78/46/38/592784638.db2.gz ZFCKASHSOQUOMW-MRXNPFEDSA-N 2 2 342.447 1.780 20 0 EDADLP CC(=O)CCn1cc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)nn1 ZINC000906297784 592784640 /nfs/dbraw/zinc/78/46/40/592784640.db2.gz ZFCKASHSOQUOMW-MRXNPFEDSA-N 2 2 342.447 1.780 20 0 EDADLP CC(=O)CCn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nn1 ZINC000906313296 592792124 /nfs/dbraw/zinc/79/21/24/592792124.db2.gz ZFLIFSAJXOBQHT-UHFFFAOYSA-N 2 2 328.420 1.365 20 0 EDADLP CC(=O)CCn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nn1 ZINC000906313296 592792125 /nfs/dbraw/zinc/79/21/25/592792125.db2.gz ZFLIFSAJXOBQHT-UHFFFAOYSA-N 2 2 328.420 1.365 20 0 EDADLP COCC[N@@H+](Cc1cn(CCC(C)=O)nn1)CC1CC[NH+](C)CC1 ZINC000906320705 592794608 /nfs/dbraw/zinc/79/46/08/592794608.db2.gz MNVVNXUIMWLFDW-UHFFFAOYSA-N 2 2 337.468 1.047 20 0 EDADLP COCC[N@H+](Cc1cn(CCC(C)=O)nn1)CC1CC[NH+](C)CC1 ZINC000906320705 592794610 /nfs/dbraw/zinc/79/46/10/592794610.db2.gz MNVVNXUIMWLFDW-UHFFFAOYSA-N 2 2 337.468 1.047 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)ccc2n1C(CO)CO ZINC000909300203 592794796 /nfs/dbraw/zinc/79/47/96/592794796.db2.gz ZWGHMHDKAIJUCS-QGZVFWFLSA-N 2 2 348.447 1.395 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cn(-c3ccn(C)n3)nn2)CCN1c1cc[nH+]cc1 ZINC000906323340 592795524 /nfs/dbraw/zinc/79/55/24/592795524.db2.gz ADEPHZKIGJDQLG-CQSZACIVSA-N 2 2 338.419 1.107 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C)[nH+]1 ZINC000906511606 592837594 /nfs/dbraw/zinc/83/75/94/592837594.db2.gz LNGJQIUCGJPSLL-INIZCTEOSA-N 2 2 344.459 1.561 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000910604365 592880175 /nfs/dbraw/zinc/88/01/75/592880175.db2.gz KEWQPXQFKSOCHV-AWEZNQCLSA-N 2 2 349.479 1.510 20 0 EDADLP CCC/C=C\[C@@H](O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190043 592945906 /nfs/dbraw/zinc/94/59/06/592945906.db2.gz FICKEENTHMAWBF-XOWYPZSQSA-N 2 2 337.508 1.722 20 0 EDADLP CCC/C=C\[C@@H](O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190043 592945908 /nfs/dbraw/zinc/94/59/08/592945908.db2.gz FICKEENTHMAWBF-XOWYPZSQSA-N 2 2 337.508 1.722 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)[C@@H]3CCCO3)CC2)CC1 ZINC000911190579 592946184 /nfs/dbraw/zinc/94/61/84/592946184.db2.gz LWNKCJLXXFNUGR-WMZOPIPTSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)[C@@H]3CCCO3)CC2)CC1 ZINC000911190579 592946185 /nfs/dbraw/zinc/94/61/85/592946185.db2.gz LWNKCJLXXFNUGR-WMZOPIPTSA-N 2 2 337.508 1.820 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734274491 592958681 /nfs/dbraw/zinc/95/86/81/592958681.db2.gz XGBPUMXIALLVKF-HNNXBMFYSA-N 2 2 325.416 1.908 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734274491 592958683 /nfs/dbraw/zinc/95/86/83/592958683.db2.gz XGBPUMXIALLVKF-HNNXBMFYSA-N 2 2 325.416 1.908 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc(C)[nH+]1 ZINC000911313539 592997303 /nfs/dbraw/zinc/99/73/03/592997303.db2.gz FQVOIYCSZBXNJY-SFHVURJKSA-N 2 2 330.432 1.059 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000838095123 593123643 /nfs/dbraw/zinc/12/36/43/593123643.db2.gz VPWRIOCSQVRHLD-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000838095123 593123647 /nfs/dbraw/zinc/12/36/47/593123647.db2.gz VPWRIOCSQVRHLD-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C(=O)C4(CCOCC4)[C@@H]3C3CC3)C2)C1 ZINC000840088334 593157935 /nfs/dbraw/zinc/15/79/35/593157935.db2.gz PVJNUDVKDAHHOI-HKUYNNGSSA-N 2 2 347.503 1.779 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C(=O)C4(CCOCC4)[C@@H]3C3CC3)C2)C1 ZINC000840088334 593157939 /nfs/dbraw/zinc/15/79/39/593157939.db2.gz PVJNUDVKDAHHOI-HKUYNNGSSA-N 2 2 347.503 1.779 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C(=O)C4(CCOCC4)[C@@H]3C3CC3)C2)C1 ZINC000840088334 593157941 /nfs/dbraw/zinc/15/79/41/593157941.db2.gz PVJNUDVKDAHHOI-HKUYNNGSSA-N 2 2 347.503 1.779 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C(=O)C4(CCOCC4)[C@@H]3C3CC3)C2)C1 ZINC000840088334 593157945 /nfs/dbraw/zinc/15/79/45/593157945.db2.gz PVJNUDVKDAHHOI-HKUYNNGSSA-N 2 2 347.503 1.779 20 0 EDADLP O=C1N(C[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H](C2CC2)[C@@]12CCCO2 ZINC000839955014 593224199 /nfs/dbraw/zinc/22/41/99/593224199.db2.gz YNWXXFDLPATUTG-MJGOQNOKSA-N 2 2 342.443 1.331 20 0 EDADLP Cn1cc([C@@H]2N(C[N@H+](C)CCCn3cc[nH+]c3)C(=O)C2(C)C)cn1 ZINC000808171935 593233534 /nfs/dbraw/zinc/23/35/34/593233534.db2.gz OOBPZYMYTSEJIK-HNNXBMFYSA-N 2 2 330.436 1.506 20 0 EDADLP Cn1cc([C@@H]2N(C[N@@H+](C)CCCn3cc[nH+]c3)C(=O)C2(C)C)cn1 ZINC000808171935 593233537 /nfs/dbraw/zinc/23/35/37/593233537.db2.gz OOBPZYMYTSEJIK-HNNXBMFYSA-N 2 2 330.436 1.506 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025446 593387875 /nfs/dbraw/zinc/38/78/75/593387875.db2.gz CGYXEJFWDDQQFZ-VXIBKDFQSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025446 593387878 /nfs/dbraw/zinc/38/78/78/593387878.db2.gz CGYXEJFWDDQQFZ-VXIBKDFQSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025446 593387880 /nfs/dbraw/zinc/38/78/80/593387880.db2.gz CGYXEJFWDDQQFZ-VXIBKDFQSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025446 593387882 /nfs/dbraw/zinc/38/78/82/593387882.db2.gz CGYXEJFWDDQQFZ-VXIBKDFQSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000840037811 593402579 /nfs/dbraw/zinc/40/25/79/593402579.db2.gz KZLKXUIBUMSXNK-HKUYNNGSSA-N 2 2 348.535 1.693 20 0 EDADLP CC1(C)C(=O)N(C[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H]1[C@@H]1CCCO1 ZINC000811730601 593477267 /nfs/dbraw/zinc/47/72/67/593477267.db2.gz VLNJSRFYWUQNRP-IRXDYDNUSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@H](O)CNc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc[nH+]1 ZINC000840244513 593487711 /nfs/dbraw/zinc/48/77/11/593487711.db2.gz VRJNRZKXGGYBCW-DZGCQCFKSA-N 2 2 335.452 1.325 20 0 EDADLP C[C@H](O)CNc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]cn1 ZINC000840244513 593487712 /nfs/dbraw/zinc/48/77/12/593487712.db2.gz VRJNRZKXGGYBCW-DZGCQCFKSA-N 2 2 335.452 1.325 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C[C@@H](C)O1 ZINC000816531232 593530071 /nfs/dbraw/zinc/53/00/71/593530071.db2.gz KMBXERWGOXIYGF-ZIAGYGMSSA-N 2 2 333.432 1.720 20 0 EDADLP Cn1ncc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1Cl ZINC000815115902 593616172 /nfs/dbraw/zinc/61/61/72/593616172.db2.gz QGRPMDMAFIBGJO-UHFFFAOYSA-N 2 2 334.855 1.510 20 0 EDADLP COC(=O)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000817864537 593642353 /nfs/dbraw/zinc/64/23/53/593642353.db2.gz LBKHTJOPLRGGGG-AWEZNQCLSA-N 2 2 330.388 1.895 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cl)c(F)c1 ZINC000818987118 593732517 /nfs/dbraw/zinc/73/25/17/593732517.db2.gz STLYKTJQMBRATI-XJKCOSOUSA-N 2 2 328.815 1.965 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)c(F)c1 ZINC000818987118 593732518 /nfs/dbraw/zinc/73/25/18/593732518.db2.gz STLYKTJQMBRATI-XJKCOSOUSA-N 2 2 328.815 1.965 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819049454 593735614 /nfs/dbraw/zinc/73/56/14/593735614.db2.gz KEFLFPHAODOLQA-CABCVRRESA-N 2 2 342.281 1.318 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819049454 593735615 /nfs/dbraw/zinc/73/56/15/593735615.db2.gz KEFLFPHAODOLQA-CABCVRRESA-N 2 2 342.281 1.318 20 0 EDADLP CON(C)C(=O)CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000819264476 593747525 /nfs/dbraw/zinc/74/75/25/593747525.db2.gz UYQZQHZEFWTUPO-QGZVFWFLSA-N 2 2 335.448 1.277 20 0 EDADLP CON(C)C(=O)CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000819264476 593747526 /nfs/dbraw/zinc/74/75/26/593747526.db2.gz UYQZQHZEFWTUPO-QGZVFWFLSA-N 2 2 335.448 1.277 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000821583391 593869235 /nfs/dbraw/zinc/86/92/35/593869235.db2.gz UCGVQQVUBFBEMT-UHFFFAOYSA-N 2 2 349.870 1.958 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1-c1nn[nH]n1 ZINC000821809225 593945706 /nfs/dbraw/zinc/94/57/06/593945706.db2.gz MTRSYCBXIBWOIB-GJZGRUSLSA-N 2 2 328.420 1.592 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1-c1nn[nH]n1 ZINC000821809225 593945708 /nfs/dbraw/zinc/94/57/08/593945708.db2.gz MTRSYCBXIBWOIB-GJZGRUSLSA-N 2 2 328.420 1.592 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000822477948 594054335 /nfs/dbraw/zinc/05/43/35/594054335.db2.gz FRWGWXWQOKKFOC-OAHLLOKOSA-N 2 2 334.464 1.485 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C[N@H+]1C1CC1 ZINC000824892537 594091819 /nfs/dbraw/zinc/09/18/19/594091819.db2.gz JZTNIFLNXRETRW-OCCSQVGLSA-N 2 2 328.420 1.460 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000822740752 594093391 /nfs/dbraw/zinc/09/33/91/594093391.db2.gz NSDLKBSNSRWSPU-AWEZNQCLSA-N 2 2 327.367 1.867 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000822740752 594093392 /nfs/dbraw/zinc/09/33/92/594093392.db2.gz NSDLKBSNSRWSPU-AWEZNQCLSA-N 2 2 327.367 1.867 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2[nH+]1 ZINC000825900278 594272951 /nfs/dbraw/zinc/27/29/51/594272951.db2.gz JWGKFFOSRXLSLS-LSDHHAIUSA-N 2 2 329.404 1.627 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2[nH+]1 ZINC000825900278 594272952 /nfs/dbraw/zinc/27/29/52/594272952.db2.gz JWGKFFOSRXLSLS-LSDHHAIUSA-N 2 2 329.404 1.627 20 0 EDADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[S@@](C)=O ZINC000828012894 594321764 /nfs/dbraw/zinc/32/17/64/594321764.db2.gz ZDAJKUVDCRQSHB-JOCHJYFZSA-N 3 2 329.554 1.493 20 0 EDADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[S@@](C)=O ZINC000828012894 594321766 /nfs/dbraw/zinc/32/17/66/594321766.db2.gz ZDAJKUVDCRQSHB-JOCHJYFZSA-N 3 2 329.554 1.493 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000826181996 594365078 /nfs/dbraw/zinc/36/50/78/594365078.db2.gz WFJMLDLUCDHHEP-DOMZBBRYSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000826181996 594365081 /nfs/dbraw/zinc/36/50/81/594365081.db2.gz WFJMLDLUCDHHEP-DOMZBBRYSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000826181996 594365083 /nfs/dbraw/zinc/36/50/83/594365083.db2.gz WFJMLDLUCDHHEP-DOMZBBRYSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000826181996 594365086 /nfs/dbraw/zinc/36/50/86/594365086.db2.gz WFJMLDLUCDHHEP-DOMZBBRYSA-N 2 2 330.436 1.790 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000828334583 594394321 /nfs/dbraw/zinc/39/43/21/594394321.db2.gz VIPYJCWIPYGGIH-HSZRJFAPSA-N 2 2 339.505 1.128 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000826276669 594407764 /nfs/dbraw/zinc/40/77/64/594407764.db2.gz RBIGOYQXMQIVFZ-KBPBESRZSA-N 2 2 345.451 1.871 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000826364469 594446224 /nfs/dbraw/zinc/44/62/24/594446224.db2.gz XFRSFSUAFQZCCT-LBPRGKRZSA-N 2 2 327.367 1.729 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2-c2nn[nH]n2)C1 ZINC000826364469 594446225 /nfs/dbraw/zinc/44/62/25/594446225.db2.gz XFRSFSUAFQZCCT-LBPRGKRZSA-N 2 2 327.367 1.729 20 0 EDADLP c1ccc(NC[C@H]2CC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)[nH+]c1 ZINC000826522029 594516337 /nfs/dbraw/zinc/51/63/37/594516337.db2.gz ITDQHJCAQLCEJT-CQSZACIVSA-N 2 2 336.403 1.591 20 0 EDADLP c1ccc(NC[C@H]2CC[N@@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)[nH+]c1 ZINC000826522029 594516338 /nfs/dbraw/zinc/51/63/38/594516338.db2.gz ITDQHJCAQLCEJT-CQSZACIVSA-N 2 2 336.403 1.591 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000827494526 594677283 /nfs/dbraw/zinc/67/72/83/594677283.db2.gz LTKKXOZAKZCFNU-ZFWWWQNUSA-N 2 2 332.448 1.274 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000827494526 594677284 /nfs/dbraw/zinc/67/72/84/594677284.db2.gz LTKKXOZAKZCFNU-ZFWWWQNUSA-N 2 2 332.448 1.274 20 0 EDADLP CCO[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C[NH+](C)C ZINC000831724570 594696511 /nfs/dbraw/zinc/69/65/11/594696511.db2.gz PENXDEMRPZCOGF-KRWDZBQOSA-N 2 2 330.432 1.628 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000831726863 594696697 /nfs/dbraw/zinc/69/66/97/594696697.db2.gz GRKYGPNJOGLLHU-HOTGVXAUSA-N 2 2 325.416 1.729 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(Br)n1 ZINC000841151571 594859450 /nfs/dbraw/zinc/85/94/50/594859450.db2.gz IRTOZMWEYVHCJF-SNVBAGLBSA-N 2 2 342.241 1.259 20 0 EDADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CCn2cc[nH+]c21 ZINC000836205986 594938237 /nfs/dbraw/zinc/93/82/37/594938237.db2.gz AVNIBPDOSUGMFQ-INIZCTEOSA-N 2 2 325.416 1.685 20 0 EDADLP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H]1CCn2cc[nH+]c21 ZINC000836205986 594938240 /nfs/dbraw/zinc/93/82/40/594938240.db2.gz AVNIBPDOSUGMFQ-INIZCTEOSA-N 2 2 325.416 1.685 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841838136 594961769 /nfs/dbraw/zinc/96/17/69/594961769.db2.gz NLUVUNITPLWSKR-MRXNPFEDSA-N 2 2 345.491 1.773 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841838136 594961771 /nfs/dbraw/zinc/96/17/71/594961771.db2.gz NLUVUNITPLWSKR-MRXNPFEDSA-N 2 2 345.491 1.773 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1C ZINC000842147888 595023280 /nfs/dbraw/zinc/02/32/80/595023280.db2.gz IERKPMFCKLGHMH-ZFWWWQNUSA-N 2 2 348.447 1.052 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000843349110 595083118 /nfs/dbraw/zinc/08/31/18/595083118.db2.gz HGKADSKZWSHOQO-UHFFFAOYSA-N 2 2 347.431 1.020 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000843349110 595083119 /nfs/dbraw/zinc/08/31/19/595083119.db2.gz HGKADSKZWSHOQO-UHFFFAOYSA-N 2 2 347.431 1.020 20 0 EDADLP C[C@H]1CC2(CN1C(=O)c1ccnc(-n3cc[nH+]c3)c1)CC[NH2+]CC2 ZINC000842515241 595125341 /nfs/dbraw/zinc/12/53/41/595125341.db2.gz NLQQOYIWHNTSFR-AWEZNQCLSA-N 2 2 325.416 1.872 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000867231982 595144148 /nfs/dbraw/zinc/14/41/48/595144148.db2.gz GVJXXERBDVUENC-WMZOPIPTSA-N 2 2 342.443 1.956 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000867231982 595144151 /nfs/dbraw/zinc/14/41/51/595144151.db2.gz GVJXXERBDVUENC-WMZOPIPTSA-N 2 2 342.443 1.956 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000867231981 595144218 /nfs/dbraw/zinc/14/42/18/595144218.db2.gz GVJXXERBDVUENC-SJLPKXTDSA-N 2 2 342.443 1.956 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000867231981 595144219 /nfs/dbraw/zinc/14/42/19/595144219.db2.gz GVJXXERBDVUENC-SJLPKXTDSA-N 2 2 342.443 1.956 20 0 EDADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000842672624 595166716 /nfs/dbraw/zinc/16/67/16/595166716.db2.gz XFKWQPVUMRMZOD-UHFFFAOYSA-N 2 2 343.468 1.826 20 0 EDADLP O=C(CO[C@@H]1CCC[NH2+]C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000844165566 595288551 /nfs/dbraw/zinc/28/85/51/595288551.db2.gz KFIIYAGWNWIWMC-CQSZACIVSA-N 2 2 338.477 1.836 20 0 EDADLP Clc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cn1 ZINC000843118639 595291255 /nfs/dbraw/zinc/29/12/55/595291255.db2.gz KNDTVKBROYFWQE-UHFFFAOYSA-N 2 2 332.839 1.809 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1)C(F)(F)F ZINC000848103268 595318585 /nfs/dbraw/zinc/31/85/85/595318585.db2.gz LAAVKYYSRVUVOM-AGIUHOORSA-N 2 2 344.381 1.866 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1)C(F)(F)F ZINC000848103268 595318588 /nfs/dbraw/zinc/31/85/88/595318588.db2.gz LAAVKYYSRVUVOM-AGIUHOORSA-N 2 2 344.381 1.866 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000846835831 595323870 /nfs/dbraw/zinc/32/38/70/595323870.db2.gz KNRSESFBWRQVBM-IBGZPJMESA-N 2 2 335.492 1.365 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000846835831 595323871 /nfs/dbraw/zinc/32/38/71/595323871.db2.gz KNRSESFBWRQVBM-IBGZPJMESA-N 2 2 335.492 1.365 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)O[C@H](C)COC)CC2)CC1 ZINC000867440026 595327028 /nfs/dbraw/zinc/32/70/28/595327028.db2.gz DGPIJMSRBKPIDP-OAHLLOKOSA-N 2 2 327.469 1.650 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)O[C@H](C)COC)CC2)CC1 ZINC000867440026 595327030 /nfs/dbraw/zinc/32/70/30/595327030.db2.gz DGPIJMSRBKPIDP-OAHLLOKOSA-N 2 2 327.469 1.650 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000846995888 595348279 /nfs/dbraw/zinc/34/82/79/595348279.db2.gz PNLYEKUBTSICSN-YJBOKZPZSA-N 2 2 341.496 1.774 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000846995888 595348282 /nfs/dbraw/zinc/34/82/82/595348282.db2.gz PNLYEKUBTSICSN-YJBOKZPZSA-N 2 2 341.496 1.774 20 0 EDADLP COc1ccccc1[C@H](NC(=O)CC[NH2+]C1CC1)c1[nH+]ccn1C ZINC000848407752 595374709 /nfs/dbraw/zinc/37/47/09/595374709.db2.gz TUDWSJSSIIIPHM-KRWDZBQOSA-N 2 2 328.416 1.776 20 0 EDADLP O=C1O[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CN1C1CC1 ZINC000848568942 595406267 /nfs/dbraw/zinc/40/62/67/595406267.db2.gz AZGUEEQHUGDKEY-ZDUSSCGKSA-N 2 2 335.370 1.976 20 0 EDADLP C[NH+](C)CC[C@H](N)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000844915702 595413813 /nfs/dbraw/zinc/41/38/13/595413813.db2.gz UORJJAMNIDYILR-HOTGVXAUSA-N 2 2 345.447 1.595 20 0 EDADLP C[NH+](C)CC[C@H](N)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000844915702 595413814 /nfs/dbraw/zinc/41/38/14/595413814.db2.gz UORJJAMNIDYILR-HOTGVXAUSA-N 2 2 345.447 1.595 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852806069 595550577 /nfs/dbraw/zinc/55/05/77/595550577.db2.gz OOTIFEFPHLZELZ-CQSZACIVSA-N 2 2 336.399 1.602 20 0 EDADLP O=C(C=C1CC[NH2+]CC1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000852858535 595579664 /nfs/dbraw/zinc/57/96/64/595579664.db2.gz CBFOSRXDLSCYMF-GOSISDBHSA-N 2 2 329.444 1.486 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860133550 595591833 /nfs/dbraw/zinc/59/18/33/595591833.db2.gz HGMNSSHVVDHJJI-IEBWSBKVSA-N 2 2 336.476 1.753 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860133550 595591835 /nfs/dbraw/zinc/59/18/35/595591835.db2.gz HGMNSSHVVDHJJI-IEBWSBKVSA-N 2 2 336.476 1.753 20 0 EDADLP c1n[nH]c2c1CCC[C@H]2[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000857851294 595632496 /nfs/dbraw/zinc/63/24/96/595632496.db2.gz LZNMDZFCXLHBRF-GOSISDBHSA-N 3 2 340.475 1.984 20 0 EDADLP C(C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1)C1SCCS1 ZINC000853023158 595643932 /nfs/dbraw/zinc/64/39/32/595643932.db2.gz OMAHWHWKDNHAHQ-UHFFFAOYSA-N 2 2 339.534 1.757 20 0 EDADLP C[C@H]1CCc2nc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cn2C1 ZINC000857927064 595654879 /nfs/dbraw/zinc/65/48/79/595654879.db2.gz YEBYBOJZBBVCQG-GJZGRUSLSA-N 2 2 345.491 1.364 20 0 EDADLP C[C@H]1CCc2nc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cn2C1 ZINC000857927064 595654883 /nfs/dbraw/zinc/65/48/83/595654883.db2.gz YEBYBOJZBBVCQG-GJZGRUSLSA-N 2 2 345.491 1.364 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cc(C=O)c2ccccc21 ZINC000855414916 595704349 /nfs/dbraw/zinc/70/43/49/595704349.db2.gz MWGRTLQQKCPTPU-UHFFFAOYSA-N 2 2 344.459 1.454 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cc(C=O)c2ccccc21 ZINC000855414916 595704353 /nfs/dbraw/zinc/70/43/53/595704353.db2.gz MWGRTLQQKCPTPU-UHFFFAOYSA-N 2 2 344.459 1.454 20 0 EDADLP CC(C)(C)n1ncc2c1nc(NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)[nH+]c2N ZINC000853241877 595717229 /nfs/dbraw/zinc/71/72/29/595717229.db2.gz MNWBXUFLRFJPHO-NWDGAFQWSA-N 2 2 345.451 1.439 20 0 EDADLP CC(C)(C)n1ncc2c1nc(NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)[nH+]c2N ZINC000853241877 595717230 /nfs/dbraw/zinc/71/72/30/595717230.db2.gz MNWBXUFLRFJPHO-NWDGAFQWSA-N 2 2 345.451 1.439 20 0 EDADLP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850119308 595744762 /nfs/dbraw/zinc/74/47/62/595744762.db2.gz NDPBUYSRSSCCSO-UHOSZYNNSA-N 2 2 332.444 1.807 20 0 EDADLP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000850119308 595744766 /nfs/dbraw/zinc/74/47/66/595744766.db2.gz NDPBUYSRSSCCSO-UHOSZYNNSA-N 2 2 332.444 1.807 20 0 EDADLP O=[S@](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC(F)(F)F ZINC000850494635 595843192 /nfs/dbraw/zinc/84/31/92/595843192.db2.gz RGHJBOKNUBJDHJ-WHEQGISXSA-N 2 2 342.427 1.530 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858635113 595851808 /nfs/dbraw/zinc/85/18/08/595851808.db2.gz VDAOZXDLCAYIBB-IBGZPJMESA-N 2 2 326.444 1.802 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000858764083 595884649 /nfs/dbraw/zinc/88/46/49/595884649.db2.gz LQQOKTUHHWZURC-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cc(F)cnc1Cl ZINC000854098480 595974362 /nfs/dbraw/zinc/97/43/62/595974362.db2.gz PWNODGMYDQPYDT-UHFFFAOYSA-N 2 2 345.850 1.557 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cc(F)cnc1Cl ZINC000854098480 595974365 /nfs/dbraw/zinc/97/43/65/595974365.db2.gz PWNODGMYDQPYDT-UHFFFAOYSA-N 2 2 345.850 1.557 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c21)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854097047 595974513 /nfs/dbraw/zinc/97/45/13/595974513.db2.gz ZAHZWLIQCOBHLD-GJZGRUSLSA-N 2 2 333.436 1.224 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c[nH+]cn3C)C2)ccn1 ZINC000856553000 596017567 /nfs/dbraw/zinc/01/75/67/596017567.db2.gz JVALWHNCMLEABF-SFHVURJKSA-N 3 2 329.448 1.920 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c[nH+]cn3C)C2)ccn1 ZINC000856553000 596017571 /nfs/dbraw/zinc/01/75/71/596017571.db2.gz JVALWHNCMLEABF-SFHVURJKSA-N 3 2 329.448 1.920 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c[nH+]cn3C)C2)ccn1 ZINC000856553000 596017575 /nfs/dbraw/zinc/01/75/75/596017575.db2.gz JVALWHNCMLEABF-SFHVURJKSA-N 3 2 329.448 1.920 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c[nH+]cn3C)C2)ccn1 ZINC000856553000 596017578 /nfs/dbraw/zinc/01/75/78/596017578.db2.gz JVALWHNCMLEABF-SFHVURJKSA-N 3 2 329.448 1.920 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N(C)C[C@H](C)[NH3+])cc1 ZINC000861549034 596025749 /nfs/dbraw/zinc/02/57/49/596025749.db2.gz DLMDZQVPDHJPFC-RDJZCZTQSA-N 2 2 334.464 1.357 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000856613687 596035663 /nfs/dbraw/zinc/03/56/63/596035663.db2.gz DTNYLOFWHLQPSR-NXNVCVFFSA-N 2 2 344.459 1.094 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)CC[N@H+]1C ZINC000856613687 596035665 /nfs/dbraw/zinc/03/56/65/596035665.db2.gz DTNYLOFWHLQPSR-NXNVCVFFSA-N 2 2 344.459 1.094 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000861593351 596040807 /nfs/dbraw/zinc/04/08/07/596040807.db2.gz JLLYBVQPZOXMBU-AWEZNQCLSA-N 2 2 333.480 1.710 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000861593351 596040811 /nfs/dbraw/zinc/04/08/11/596040811.db2.gz JLLYBVQPZOXMBU-AWEZNQCLSA-N 2 2 333.480 1.710 20 0 EDADLP Cn1cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)n1 ZINC000856766262 596077033 /nfs/dbraw/zinc/07/70/33/596077033.db2.gz YSSMBMKMJDACKS-UHFFFAOYSA-N 2 2 349.870 1.165 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n2c1CCCC2 ZINC000856769153 596077131 /nfs/dbraw/zinc/07/71/31/596077131.db2.gz IMGCLYIGNOTRNA-GDBMZVCRSA-N 2 2 347.459 1.564 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n2c1CCCC2 ZINC000856769153 596077133 /nfs/dbraw/zinc/07/71/33/596077133.db2.gz IMGCLYIGNOTRNA-GDBMZVCRSA-N 2 2 347.459 1.564 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815199 596091511 /nfs/dbraw/zinc/09/15/11/596091511.db2.gz IZDLKNUESPVHSD-RLFYNMQTSA-N 2 2 341.496 1.678 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815199 596091513 /nfs/dbraw/zinc/09/15/13/596091513.db2.gz IZDLKNUESPVHSD-RLFYNMQTSA-N 2 2 341.496 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815199 596091519 /nfs/dbraw/zinc/09/15/19/596091519.db2.gz IZDLKNUESPVHSD-RLFYNMQTSA-N 2 2 341.496 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815199 596091524 /nfs/dbraw/zinc/09/15/24/596091524.db2.gz IZDLKNUESPVHSD-RLFYNMQTSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC[C@H](C)[NH3+] ZINC000857112392 596160393 /nfs/dbraw/zinc/16/03/93/596160393.db2.gz BPIMFTZTUNCHPE-DLBZAZTESA-N 2 2 348.491 1.656 20 0 EDADLP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000854729645 596178235 /nfs/dbraw/zinc/17/82/35/596178235.db2.gz ZAWQVDJYDVOYDB-KRWDZBQOSA-N 2 2 337.508 1.822 20 0 EDADLP C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)NC(=O)OC(C)(C)C ZINC000852708153 596231532 /nfs/dbraw/zinc/23/15/32/596231532.db2.gz RZVWASFDGNDYKR-DZGCQCFKSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)NC(=O)OC(C)(C)C ZINC000852708153 596231534 /nfs/dbraw/zinc/23/15/34/596231534.db2.gz RZVWASFDGNDYKR-DZGCQCFKSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CC[N@@H+](C2CC2)C1 ZINC000868607489 596245050 /nfs/dbraw/zinc/24/50/50/596245050.db2.gz WZMFZCULLFCAEY-UONOGXRCSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CC[N@H+](C2CC2)C1 ZINC000868607489 596245054 /nfs/dbraw/zinc/24/50/54/596245054.db2.gz WZMFZCULLFCAEY-UONOGXRCSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC[NH+](C2CC2)C1 ZINC000868607489 596245058 /nfs/dbraw/zinc/24/50/58/596245058.db2.gz WZMFZCULLFCAEY-UONOGXRCSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC[NH+](C2CC2)C1 ZINC000868607489 596245062 /nfs/dbraw/zinc/24/50/62/596245062.db2.gz WZMFZCULLFCAEY-UONOGXRCSA-N 2 2 329.435 1.906 20 0 EDADLP CO[C@H]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)Cc3ccc[nH+]c3N2C1 ZINC000870535262 596274331 /nfs/dbraw/zinc/27/43/31/596274331.db2.gz KPHCHYUQYGMTER-HOTGVXAUSA-N 2 2 341.415 1.223 20 0 EDADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862295519 596297543 /nfs/dbraw/zinc/29/75/43/596297543.db2.gz LBYYGFIMKXEYFI-BZUAXINKSA-N 2 2 341.496 1.942 20 0 EDADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862295519 596297546 /nfs/dbraw/zinc/29/75/46/596297546.db2.gz LBYYGFIMKXEYFI-BZUAXINKSA-N 2 2 341.496 1.942 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000866714682 596306713 /nfs/dbraw/zinc/30/67/13/596306713.db2.gz VCLBBDDYSZCQRN-CFVMTHIKSA-N 2 2 339.798 1.846 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000866714682 596306718 /nfs/dbraw/zinc/30/67/18/596306718.db2.gz VCLBBDDYSZCQRN-CFVMTHIKSA-N 2 2 339.798 1.846 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)CC2([NH+](C)C)CC2)cn1 ZINC000866809270 596358633 /nfs/dbraw/zinc/35/86/33/596358633.db2.gz HDMRIYHDULPCPE-UHFFFAOYSA-N 2 2 349.460 1.089 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)c[nH+]2)CCO1 ZINC000870867110 596383393 /nfs/dbraw/zinc/38/33/93/596383393.db2.gz BYCRJBWISAWDFE-FVQBIDKESA-N 2 2 332.448 1.440 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CC[NH2+]CC3CC3)c[nH+]2)CCO1 ZINC000870867895 596383555 /nfs/dbraw/zinc/38/35/55/596383555.db2.gz VQOCXNOUENJABR-AWEZNQCLSA-N 2 2 332.448 1.313 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000870964916 596420741 /nfs/dbraw/zinc/42/07/41/596420741.db2.gz DMLQUKXUUAFZOV-OFQRWUPVSA-N 2 2 334.439 1.190 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC(F)(F)C[NH3+])C2)c1 ZINC000870977303 596423890 /nfs/dbraw/zinc/42/38/90/596423890.db2.gz FJCUGEDRCWJFIG-HNNXBMFYSA-N 2 2 341.402 1.296 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CC(F)(F)C[NH3+])C2)c1 ZINC000870977303 596423893 /nfs/dbraw/zinc/42/38/93/596423893.db2.gz FJCUGEDRCWJFIG-HNNXBMFYSA-N 2 2 341.402 1.296 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)[C@@H](Cc2ccccc2)C1 ZINC000869149404 596424825 /nfs/dbraw/zinc/42/48/25/596424825.db2.gz OMIRQTKJYJMSLV-ZXYDQQDNSA-N 2 2 343.471 1.260 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)[C@@H](Cc2ccccc2)C1 ZINC000869149404 596424827 /nfs/dbraw/zinc/42/48/27/596424827.db2.gz OMIRQTKJYJMSLV-ZXYDQQDNSA-N 2 2 343.471 1.260 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)C2)cc1 ZINC000870980017 596427666 /nfs/dbraw/zinc/42/76/66/596427666.db2.gz WGPLOXWMPKEBJH-QWFCFKBJSA-N 2 2 343.471 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)C2)cc1 ZINC000870980017 596427669 /nfs/dbraw/zinc/42/76/69/596427669.db2.gz WGPLOXWMPKEBJH-QWFCFKBJSA-N 2 2 343.471 1.312 20 0 EDADLP CN1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)Cc2ccc[nH+]c21 ZINC000871021901 596440786 /nfs/dbraw/zinc/44/07/86/596440786.db2.gz ZCQCCZCYGVGRQS-INIZCTEOSA-N 2 2 340.431 1.295 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865061361 596460268 /nfs/dbraw/zinc/46/02/68/596460268.db2.gz YJEOKPYFUDQORD-QZTJIDSGSA-N 2 2 340.427 1.394 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000865061361 596460270 /nfs/dbraw/zinc/46/02/70/596460270.db2.gz YJEOKPYFUDQORD-QZTJIDSGSA-N 2 2 340.427 1.394 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000865156565 596494543 /nfs/dbraw/zinc/49/45/43/596494543.db2.gz GQJBHDRRJCDOCT-QJSCKGPTSA-N 2 2 349.519 1.989 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000871281107 596520634 /nfs/dbraw/zinc/52/06/34/596520634.db2.gz QZCOOCRCEXRMIY-QGZVFWFLSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000871281107 596520635 /nfs/dbraw/zinc/52/06/35/596520635.db2.gz QZCOOCRCEXRMIY-QGZVFWFLSA-N 2 2 342.443 1.668 20 0 EDADLP Nc1nc(N2CCN(c3cc[nH+]cc3)CC2)nc(C2CCCC2)[nH+]1 ZINC000865415947 596567978 /nfs/dbraw/zinc/56/79/78/596567978.db2.gz SQUVSVOUQBOOCX-UHFFFAOYSA-N 2 2 325.420 1.833 20 0 EDADLP Nc1nc(C2CCCC2)[nH+]c(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000865415947 596567979 /nfs/dbraw/zinc/56/79/79/596567979.db2.gz SQUVSVOUQBOOCX-UHFFFAOYSA-N 2 2 325.420 1.833 20 0 EDADLP C[C@H](C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCOCC1 ZINC000865469988 596584578 /nfs/dbraw/zinc/58/45/78/596584578.db2.gz CMIOSTUKOHIZQI-HZPDHXFCSA-N 2 2 341.496 1.944 20 0 EDADLP CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)nn1 ZINC000865483802 596587748 /nfs/dbraw/zinc/58/77/48/596587748.db2.gz QNCJVPHWMIDUCJ-UHFFFAOYSA-N 2 2 343.475 1.935 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000865505950 596593752 /nfs/dbraw/zinc/59/37/52/596593752.db2.gz MVWNBSYSTHPCFP-WMZOPIPTSA-N 2 2 335.496 1.915 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000865505950 596593754 /nfs/dbraw/zinc/59/37/54/596593754.db2.gz MVWNBSYSTHPCFP-WMZOPIPTSA-N 2 2 335.496 1.915 20 0 EDADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000863553128 596616230 /nfs/dbraw/zinc/61/62/30/596616230.db2.gz VLLRUDJPPASBNX-MSOLQXFVSA-N 2 2 331.460 1.537 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1C(F)(F)F ZINC000863552098 596616360 /nfs/dbraw/zinc/61/63/60/596616360.db2.gz JWMCAICCUFKOTI-XBFCOCLRSA-N 2 2 349.397 1.225 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1C(F)(F)F ZINC000863552098 596616362 /nfs/dbraw/zinc/61/63/62/596616362.db2.gz JWMCAICCUFKOTI-XBFCOCLRSA-N 2 2 349.397 1.225 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863582581 596625802 /nfs/dbraw/zinc/62/58/02/596625802.db2.gz OHYZHVWCRJGTSV-CVEARBPZSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000863582581 596625805 /nfs/dbraw/zinc/62/58/05/596625805.db2.gz OHYZHVWCRJGTSV-CVEARBPZSA-N 2 2 341.496 1.869 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)n2c1CCCC2 ZINC000865660426 596642296 /nfs/dbraw/zinc/64/22/96/596642296.db2.gz LUQJZMZIFYWZPK-AWEZNQCLSA-N 2 2 349.475 1.546 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)n2c1CCCC2 ZINC000865660426 596642297 /nfs/dbraw/zinc/64/22/97/596642297.db2.gz LUQJZMZIFYWZPK-AWEZNQCLSA-N 2 2 349.475 1.546 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)[C@H](C)C1 ZINC000865687751 596651343 /nfs/dbraw/zinc/65/13/43/596651343.db2.gz UWFNBKUBYSAREQ-CVEARBPZSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)[C@H](C)C1 ZINC000865687751 596651344 /nfs/dbraw/zinc/65/13/44/596651344.db2.gz UWFNBKUBYSAREQ-CVEARBPZSA-N 2 2 341.459 1.980 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)s1 ZINC000868151427 596703590 /nfs/dbraw/zinc/70/35/90/596703590.db2.gz HZMKRULSNVLSCQ-BBRMVZONSA-N 2 2 348.472 1.794 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)s1 ZINC000868151427 596703594 /nfs/dbraw/zinc/70/35/94/596703594.db2.gz HZMKRULSNVLSCQ-BBRMVZONSA-N 2 2 348.472 1.794 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)c(N(C)C)[nH+]1 ZINC000868268017 596755756 /nfs/dbraw/zinc/75/57/56/596755756.db2.gz WBCCEABJTBYNNE-ZDUSSCGKSA-N 2 2 347.463 1.289 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868310000 596783212 /nfs/dbraw/zinc/78/32/12/596783212.db2.gz OKOPSXJZCCTZAL-UHFFFAOYSA-N 2 2 335.452 1.011 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868310000 596783214 /nfs/dbraw/zinc/78/32/14/596783214.db2.gz OKOPSXJZCCTZAL-UHFFFAOYSA-N 2 2 335.452 1.011 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(C)[nH+]1 ZINC000868312450 596784485 /nfs/dbraw/zinc/78/44/85/596784485.db2.gz RPKPFTXHQGENBK-SFHVURJKSA-N 2 2 332.448 1.860 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154305 596814877 /nfs/dbraw/zinc/81/48/77/596814877.db2.gz VZKANYRSCRTDAB-BKEDOTJMSA-N 2 2 331.460 1.802 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154305 596814880 /nfs/dbraw/zinc/81/48/80/596814880.db2.gz VZKANYRSCRTDAB-BKEDOTJMSA-N 2 2 331.460 1.802 20 0 EDADLP C[C@@H](CCc1cccnc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000866254321 596839321 /nfs/dbraw/zinc/83/93/21/596839321.db2.gz VWOUCYPROABHDT-WMZOPIPTSA-N 2 2 332.492 1.935 20 0 EDADLP C[C@@H](CCc1cccnc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000866254321 596839322 /nfs/dbraw/zinc/83/93/22/596839322.db2.gz VWOUCYPROABHDT-WMZOPIPTSA-N 2 2 332.492 1.935 20 0 EDADLP F[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000866268094 596842697 /nfs/dbraw/zinc/84/26/97/596842697.db2.gz MLCWEQFZOCVKKD-WDYCEAGBSA-N 2 2 349.450 1.454 20 0 EDADLP C[C@@H](CCc1cccnc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000866268317 596842949 /nfs/dbraw/zinc/84/29/49/596842949.db2.gz SFTPGJRYRWKVMI-PKOBYXMFSA-N 2 2 332.492 1.399 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cnc1Cl ZINC000872256518 596856313 /nfs/dbraw/zinc/85/63/13/596856313.db2.gz VKVBOMWQWNJTHB-MCIONIFRSA-N 2 2 336.823 1.410 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cnc1Cl ZINC000872256518 596856317 /nfs/dbraw/zinc/85/63/17/596856317.db2.gz VKVBOMWQWNJTHB-MCIONIFRSA-N 2 2 336.823 1.410 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000872726679 597047912 /nfs/dbraw/zinc/04/79/12/597047912.db2.gz UHRWOVHWFSKSCL-ZBFHGGJFSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000872726679 597047915 /nfs/dbraw/zinc/04/79/15/597047915.db2.gz UHRWOVHWFSKSCL-ZBFHGGJFSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000872726679 597047919 /nfs/dbraw/zinc/04/79/19/597047919.db2.gz UHRWOVHWFSKSCL-ZBFHGGJFSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000872726679 597047922 /nfs/dbraw/zinc/04/79/22/597047922.db2.gz UHRWOVHWFSKSCL-ZBFHGGJFSA-N 2 2 328.416 1.806 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](CN3C(=O)[C@@H]4CCCCC[C@@H]43)CC2)CC1 ZINC000872731390 597050123 /nfs/dbraw/zinc/05/01/23/597050123.db2.gz DDJHPWDZKFIZCJ-MSOLQXFVSA-N 2 2 334.508 1.447 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876205502 597134850 /nfs/dbraw/zinc/13/48/50/597134850.db2.gz GTFDXCXYAHTAFR-QAPCUYQASA-N 2 2 346.475 1.535 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876205502 597134854 /nfs/dbraw/zinc/13/48/54/597134854.db2.gz GTFDXCXYAHTAFR-QAPCUYQASA-N 2 2 346.475 1.535 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)[C@H](C)CO1 ZINC000876205998 597135558 /nfs/dbraw/zinc/13/55/58/597135558.db2.gz ZDBKTRZMFYJXSZ-IIDMSEBBSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)[C@H](C)CO1 ZINC000876205998 597135561 /nfs/dbraw/zinc/13/55/61/597135561.db2.gz ZDBKTRZMFYJXSZ-IIDMSEBBSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)[C@H](C)CO1 ZINC000876205998 597135564 /nfs/dbraw/zinc/13/55/64/597135564.db2.gz ZDBKTRZMFYJXSZ-IIDMSEBBSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)[C@H](C)CO1 ZINC000876205998 597135567 /nfs/dbraw/zinc/13/55/67/597135567.db2.gz ZDBKTRZMFYJXSZ-IIDMSEBBSA-N 2 2 346.475 1.582 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000874711699 597157022 /nfs/dbraw/zinc/15/70/22/597157022.db2.gz YYWBJQAGHLSGBW-CHWSQXEVSA-N 2 2 348.369 1.604 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000874711699 597157025 /nfs/dbraw/zinc/15/70/25/597157025.db2.gz YYWBJQAGHLSGBW-CHWSQXEVSA-N 2 2 348.369 1.604 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000873109977 597198834 /nfs/dbraw/zinc/19/88/34/597198834.db2.gz HPXHRBMZHGVDLU-UHFFFAOYSA-N 2 2 343.431 1.788 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000873222864 597232140 /nfs/dbraw/zinc/23/21/40/597232140.db2.gz DEQVQLAPVAYQQO-SFHVURJKSA-N 2 2 328.464 1.918 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000873222864 597232143 /nfs/dbraw/zinc/23/21/43/597232143.db2.gz DEQVQLAPVAYQQO-SFHVURJKSA-N 2 2 328.464 1.918 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000874988805 597232932 /nfs/dbraw/zinc/23/29/32/597232932.db2.gz FHFHUBHIZGYEMO-ZWKOTPCHSA-N 2 2 348.491 1.699 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000874988805 597232934 /nfs/dbraw/zinc/23/29/34/597232934.db2.gz FHFHUBHIZGYEMO-ZWKOTPCHSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1nn(C)c2ncc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc12 ZINC000873227180 597233650 /nfs/dbraw/zinc/23/36/50/597233650.db2.gz HZCAUXIKLQLLBG-DGCLKSJQSA-N 2 2 327.354 1.846 20 0 EDADLP Cc1nn(C)c2ncc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc12 ZINC000873227180 597233652 /nfs/dbraw/zinc/23/36/52/597233652.db2.gz HZCAUXIKLQLLBG-DGCLKSJQSA-N 2 2 327.354 1.846 20 0 EDADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000873227760 597234043 /nfs/dbraw/zinc/23/40/43/597234043.db2.gz NEOWAMOYQLWSDD-OWCLPIDISA-N 2 2 325.497 1.506 20 0 EDADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000873227760 597234045 /nfs/dbraw/zinc/23/40/45/597234045.db2.gz NEOWAMOYQLWSDD-OWCLPIDISA-N 2 2 325.497 1.506 20 0 EDADLP Cc1ccc(CN2CCO[C@H](C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)C2)cc1 ZINC000873264945 597242313 /nfs/dbraw/zinc/24/23/13/597242313.db2.gz FRNCPRITAXDTMG-YSIASYRMSA-N 2 2 347.503 1.552 20 0 EDADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(I)cnn1C ZINC000873275992 597245762 /nfs/dbraw/zinc/24/57/62/597245762.db2.gz MAHYXRPRBPTAOV-GXSJLCMTSA-N 2 2 348.232 1.502 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000875157663 597307370 /nfs/dbraw/zinc/30/73/70/597307370.db2.gz VLDICZMUJFCSFZ-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000875157663 597307374 /nfs/dbraw/zinc/30/73/74/597307374.db2.gz VLDICZMUJFCSFZ-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875157663 597307378 /nfs/dbraw/zinc/30/73/78/597307378.db2.gz VLDICZMUJFCSFZ-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875157663 597307381 /nfs/dbraw/zinc/30/73/81/597307381.db2.gz VLDICZMUJFCSFZ-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP [NH3+][C@H](C(=O)NCC[NH+]1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000876726793 597308059 /nfs/dbraw/zinc/30/80/59/597308059.db2.gz QUJGIRZRBZGRPK-ZDUSSCGKSA-N 2 2 347.406 1.870 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000875420028 597420982 /nfs/dbraw/zinc/42/09/82/597420982.db2.gz OEQZPCUCGPQDPM-CVEARBPZSA-N 2 2 347.463 1.070 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000875420028 597420984 /nfs/dbraw/zinc/42/09/84/597420984.db2.gz OEQZPCUCGPQDPM-CVEARBPZSA-N 2 2 347.463 1.070 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3[NH2+]CCC3(C)C)C2)cc1 ZINC000877248214 597478456 /nfs/dbraw/zinc/47/84/56/597478456.db2.gz HVHWDUGPNPSNQL-ROUUACIJSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3[NH2+]CCC3(C)C)C2)cc1 ZINC000877248214 597478457 /nfs/dbraw/zinc/47/84/57/597478457.db2.gz HVHWDUGPNPSNQL-ROUUACIJSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)C2)c1 ZINC000877248604 597478862 /nfs/dbraw/zinc/47/88/62/597478862.db2.gz OAKQYRZRJAYLMG-QXAKKESOSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)C2)c1 ZINC000877248604 597478865 /nfs/dbraw/zinc/47/88/65/597478865.db2.gz OAKQYRZRJAYLMG-QXAKKESOSA-N 2 2 345.487 1.700 20 0 EDADLP COCCC1(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC[NH2+]CC1 ZINC000877268775 597484002 /nfs/dbraw/zinc/48/40/02/597484002.db2.gz RJECGLAWPLOZNN-GFCCVEGCSA-N 2 2 348.369 1.652 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000877434041 597515053 /nfs/dbraw/zinc/51/50/53/597515053.db2.gz MIBWXSQEPZMHDJ-IEBWSBKVSA-N 2 2 331.460 1.145 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000877434041 597515055 /nfs/dbraw/zinc/51/50/55/597515055.db2.gz MIBWXSQEPZMHDJ-IEBWSBKVSA-N 2 2 331.460 1.145 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCCCCO)C1 ZINC000877665123 597546133 /nfs/dbraw/zinc/54/61/33/597546133.db2.gz HYLRHBDNZCNTCZ-KRWDZBQOSA-N 2 2 336.476 1.773 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCCCCO)C1 ZINC000877665123 597546134 /nfs/dbraw/zinc/54/61/34/597546134.db2.gz HYLRHBDNZCNTCZ-KRWDZBQOSA-N 2 2 336.476 1.773 20 0 EDADLP CCc1nn(C)c(Cl)c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877747647 597552821 /nfs/dbraw/zinc/55/28/21/597552821.db2.gz WBKSVTNPRVERDS-UHFFFAOYSA-N 2 2 339.915 1.848 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)n1C ZINC000877746824 597552976 /nfs/dbraw/zinc/55/29/76/597552976.db2.gz YPQPADJZEXTEMX-UHFFFAOYSA-N 2 2 334.464 1.024 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC000881437712 597618396 /nfs/dbraw/zinc/61/83/96/597618396.db2.gz RMFJTSKTISNKQK-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000881437712 597618397 /nfs/dbraw/zinc/61/83/97/597618397.db2.gz RMFJTSKTISNKQK-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC000881437712 597618398 /nfs/dbraw/zinc/61/83/98/597618398.db2.gz RMFJTSKTISNKQK-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC000881437712 597618399 /nfs/dbraw/zinc/61/83/99/597618399.db2.gz RMFJTSKTISNKQK-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP NC(=O)c1ccc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000878552427 597632678 /nfs/dbraw/zinc/63/26/78/597632678.db2.gz PBDHVFVOHGJXIU-GOSISDBHSA-N 2 2 331.460 1.515 20 0 EDADLP NC(=O)c1ccc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000878552427 597632683 /nfs/dbraw/zinc/63/26/83/597632683.db2.gz PBDHVFVOHGJXIU-GOSISDBHSA-N 2 2 331.460 1.515 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)CC1 ZINC000879590573 597647631 /nfs/dbraw/zinc/64/76/31/597647631.db2.gz AGURPGLWXVKLJS-SFHVURJKSA-N 2 2 339.430 1.710 20 0 EDADLP CC(C)c1c[nH]c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000883371259 597725591 /nfs/dbraw/zinc/72/55/91/597725591.db2.gz CPKOZZGOCHGCPA-MRXNPFEDSA-N 2 2 335.496 1.419 20 0 EDADLP CN(C(=O)C[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1)C1CCCCC1 ZINC000883423674 597741868 /nfs/dbraw/zinc/74/18/68/597741868.db2.gz RLEOWAZPZHLLRH-HOTGVXAUSA-N 2 2 340.487 1.095 20 0 EDADLP C[C@H](c1ccccc1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000883448267 597750882 /nfs/dbraw/zinc/75/08/82/597750882.db2.gz ZCCNWOYZLUJAEO-QGZVFWFLSA-N 2 2 330.476 1.187 20 0 EDADLP O[C@H](C[C@H](O)c1ccccc1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000878993934 597778260 /nfs/dbraw/zinc/77/82/60/597778260.db2.gz QGNZUQYEPVRYLB-OTWHNJEPSA-N 2 2 334.460 1.002 20 0 EDADLP O[C@H](C[C@H](O)c1ccccc1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000878993934 597778265 /nfs/dbraw/zinc/77/82/65/597778265.db2.gz QGNZUQYEPVRYLB-OTWHNJEPSA-N 2 2 334.460 1.002 20 0 EDADLP NC(=O)[C@@H](F)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000879040716 597796677 /nfs/dbraw/zinc/79/66/77/597796677.db2.gz GIISQXZUODHCGT-PKOBYXMFSA-N 2 2 349.450 1.159 20 0 EDADLP NC(=O)[C@@H](F)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000879040716 597796679 /nfs/dbraw/zinc/79/66/79/597796679.db2.gz GIISQXZUODHCGT-PKOBYXMFSA-N 2 2 349.450 1.159 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879995629 597802108 /nfs/dbraw/zinc/80/21/08/597802108.db2.gz WDDWHBZITRAARS-QGZVFWFLSA-N 2 2 342.443 1.047 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000880414006 597926247 /nfs/dbraw/zinc/92/62/47/597926247.db2.gz YKEITTZRVUEYQI-QGZVFWFLSA-N 2 2 327.513 1.530 20 0 EDADLP CC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000880463179 597939003 /nfs/dbraw/zinc/93/90/03/597939003.db2.gz OYXKXBYDTBMQPG-HOTGVXAUSA-N 2 2 341.496 1.008 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000882484826 597972811 /nfs/dbraw/zinc/97/28/11/597972811.db2.gz BXDHSAIGVVFLAV-ZWKOTPCHSA-N 2 2 330.476 1.186 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000882484826 597972814 /nfs/dbraw/zinc/97/28/14/597972814.db2.gz BXDHSAIGVVFLAV-ZWKOTPCHSA-N 2 2 330.476 1.186 20 0 EDADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412161 598097761 /nfs/dbraw/zinc/09/77/61/598097761.db2.gz KCEDYBGUZZEBCJ-SJORKVTESA-N 3 2 338.540 1.623 20 0 EDADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412161 598097763 /nfs/dbraw/zinc/09/77/63/598097763.db2.gz KCEDYBGUZZEBCJ-SJORKVTESA-N 3 2 338.540 1.623 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCC3)[C@@H]2C1 ZINC000992861137 695419373 /nfs/dbraw/zinc/41/93/73/695419373.db2.gz VCPHRYHLBLDBLH-JQHSSLGASA-N 2 2 330.476 1.979 20 0 EDADLP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992920326 695454385 /nfs/dbraw/zinc/45/43/85/695454385.db2.gz CFLGKEADAOIIMM-USXIJHARSA-N 2 2 342.447 1.034 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3csnn3)[C@@H]2C1 ZINC000992922201 695455385 /nfs/dbraw/zinc/45/53/85/695455385.db2.gz GXGWRXJVCWKNLO-NWANDNLSSA-N 2 2 346.460 1.152 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](CC[C@H]3CC3(Cl)Cl)C2)C1 ZINC001031260189 696067026 /nfs/dbraw/zinc/06/70/26/696067026.db2.gz NAYBGMYRBOLCNP-NEPJUHHUSA-N 2 2 334.291 1.713 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](CC[C@H]3CC3(Cl)Cl)C2)C1 ZINC001031260189 696067029 /nfs/dbraw/zinc/06/70/29/696067029.db2.gz NAYBGMYRBOLCNP-NEPJUHHUSA-N 2 2 334.291 1.713 20 0 EDADLP CO[C@@H](C[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1)C1CCC1 ZINC001031267566 696081815 /nfs/dbraw/zinc/08/18/15/696081815.db2.gz LZTWQBNUDQGTCY-KRWDZBQOSA-N 2 2 332.448 1.377 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCC[N@@H+]1CCO ZINC000994146151 696542080 /nfs/dbraw/zinc/54/20/80/696542080.db2.gz LJMHQNJGRICLJA-PBHICJAKSA-N 2 2 328.416 1.447 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCC[N@H+]1CCO ZINC000994146151 696542082 /nfs/dbraw/zinc/54/20/82/696542082.db2.gz LJMHQNJGRICLJA-PBHICJAKSA-N 2 2 328.416 1.447 20 0 EDADLP Cc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994205980 696580103 /nfs/dbraw/zinc/58/01/03/696580103.db2.gz HFCXKQSDNPMEKL-CRAIPNDOSA-N 2 2 341.459 1.835 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994205980 696580105 /nfs/dbraw/zinc/58/01/05/696580105.db2.gz HFCXKQSDNPMEKL-CRAIPNDOSA-N 2 2 341.459 1.835 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1cncc(F)c1 ZINC000994248104 696637079 /nfs/dbraw/zinc/63/70/79/696637079.db2.gz DLBXPRZBYMWATA-PBHICJAKSA-N 2 2 346.450 1.786 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1cncc(F)c1 ZINC000994248104 696637081 /nfs/dbraw/zinc/63/70/81/696637081.db2.gz DLBXPRZBYMWATA-PBHICJAKSA-N 2 2 346.450 1.786 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)[C@H]1C ZINC000994417151 696832747 /nfs/dbraw/zinc/83/27/47/696832747.db2.gz CHBBFARFBWEEOR-GUYCJALGSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@H]1C ZINC000994417151 696832750 /nfs/dbraw/zinc/83/27/50/696832750.db2.gz CHBBFARFBWEEOR-GUYCJALGSA-N 2 2 345.422 1.895 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000920236299 697410212 /nfs/dbraw/zinc/41/02/12/697410212.db2.gz MUTRIONQGQZBQK-CYBMUJFWSA-N 2 2 325.482 1.488 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000920236299 697410213 /nfs/dbraw/zinc/41/02/13/697410213.db2.gz MUTRIONQGQZBQK-CYBMUJFWSA-N 2 2 325.482 1.488 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](CC[C@H]4CCCO4)C3)ccn12 ZINC001031671005 697471296 /nfs/dbraw/zinc/47/12/96/697471296.db2.gz OZUYMWLBACKFJR-QGZVFWFLSA-N 2 2 342.443 1.873 20 0 EDADLP CC(C)=CC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031685985 697515927 /nfs/dbraw/zinc/51/59/27/697515927.db2.gz IDVOMWFAWPDHJD-KRWDZBQOSA-N 2 2 331.464 1.804 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)c(C)n1 ZINC000943177784 697873991 /nfs/dbraw/zinc/87/39/91/697873991.db2.gz PVENPCGWXFZFRK-SCLBCKFNSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)c(C)n1 ZINC000943177784 697873993 /nfs/dbraw/zinc/87/39/93/697873993.db2.gz PVENPCGWXFZFRK-SCLBCKFNSA-N 2 2 341.459 1.991 20 0 EDADLP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178831 697876121 /nfs/dbraw/zinc/87/61/21/697876121.db2.gz VTOZWQGSYMNHSJ-DOMZBBRYSA-N 2 2 333.461 1.478 20 0 EDADLP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178831 697876123 /nfs/dbraw/zinc/87/61/23/697876123.db2.gz VTOZWQGSYMNHSJ-DOMZBBRYSA-N 2 2 333.461 1.478 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3cnccn3)C2)C1 ZINC001031729382 698052326 /nfs/dbraw/zinc/05/23/26/698052326.db2.gz MBMNWFDYJNVNRU-DOTOQJQBSA-N 2 2 345.491 1.564 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3cnccn3)C2)C1 ZINC001031729382 698052329 /nfs/dbraw/zinc/05/23/29/698052329.db2.gz MBMNWFDYJNVNRU-DOTOQJQBSA-N 2 2 345.491 1.564 20 0 EDADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756543 698499801 /nfs/dbraw/zinc/49/98/01/698499801.db2.gz UPQZYXMDLFUIGP-WKILWMFISA-N 2 2 349.479 1.016 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756543 698499805 /nfs/dbraw/zinc/49/98/05/698499805.db2.gz UPQZYXMDLFUIGP-WKILWMFISA-N 2 2 349.479 1.016 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943765578 698816365 /nfs/dbraw/zinc/81/63/65/698816365.db2.gz DPVPYRNMJOZIHT-OCCSQVGLSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943765578 698816369 /nfs/dbraw/zinc/81/63/69/698816369.db2.gz DPVPYRNMJOZIHT-OCCSQVGLSA-N 2 2 347.488 1.786 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939055384 699116134 /nfs/dbraw/zinc/11/61/34/699116134.db2.gz XVCLGGMMIRRXNT-UKRRQHHQSA-N 2 2 349.479 1.471 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001031777059 699161160 /nfs/dbraw/zinc/16/11/60/699161160.db2.gz VFMNBDHRSDSOFP-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001031777059 699161164 /nfs/dbraw/zinc/16/11/64/699161164.db2.gz VFMNBDHRSDSOFP-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccsc2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784483 699203011 /nfs/dbraw/zinc/20/30/11/699203011.db2.gz TUWQPBUUUHRSSR-HNNXBMFYSA-N 2 2 330.457 1.755 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031783676 699211260 /nfs/dbraw/zinc/21/12/60/699211260.db2.gz DSIJURMCGGHOEX-SJORKVTESA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCCO2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784301 699215998 /nfs/dbraw/zinc/21/59/98/699215998.db2.gz OWAGGGLPEAIMQY-FUHWJXTLSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnsn1 ZINC000939133759 699218424 /nfs/dbraw/zinc/21/84/24/699218424.db2.gz UPGMRSCGROAYQO-GXTWGEPZSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnsn1 ZINC000939133759 699218426 /nfs/dbraw/zinc/21/84/26/699218426.db2.gz UPGMRSCGROAYQO-GXTWGEPZSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000995161367 701582510 /nfs/dbraw/zinc/58/25/10/701582510.db2.gz PFUDARRSOPFNDJ-ZIAGYGMSSA-N 2 2 331.420 1.334 20 0 EDADLP Cc1oncc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995161686 701584806 /nfs/dbraw/zinc/58/48/06/701584806.db2.gz QBCUOPCBGLLQPQ-UKRRQHHQSA-N 2 2 331.420 1.334 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000939210402 699357661 /nfs/dbraw/zinc/35/76/61/699357661.db2.gz NTKXQULEQSKFTH-DOMZBBRYSA-N 2 2 339.399 1.730 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939210813 699358480 /nfs/dbraw/zinc/35/84/80/699358480.db2.gz PWNVVBLJXXKAED-MEDUHNTESA-N 2 2 331.420 1.448 20 0 EDADLP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000941601696 701592780 /nfs/dbraw/zinc/59/27/80/701592780.db2.gz UKRUFENABATJGW-INIZCTEOSA-N 2 2 347.507 1.463 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000939402561 699551539 /nfs/dbraw/zinc/55/15/39/699551539.db2.gz YZTHRUJHRXWXJP-WBMJQRKESA-N 2 2 346.406 1.220 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCc1ccccc1F ZINC000939534302 699666622 /nfs/dbraw/zinc/66/66/22/699666622.db2.gz IWAYVVDJZYMVKU-KBXCAEBGSA-N 2 2 344.434 1.781 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCn1cccn1 ZINC000939539363 699680074 /nfs/dbraw/zinc/68/00/74/699680074.db2.gz CGPXZPCVFNZAST-ZIAGYGMSSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2ccns2)C1 ZINC000939622914 699760115 /nfs/dbraw/zinc/76/01/15/699760115.db2.gz PMKZTBJDEOYDBS-XHDPSFHLSA-N 2 2 333.461 1.396 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(C2C[NH+](CC3CC(C)C3)C2)CC1 ZINC000941653400 701612554 /nfs/dbraw/zinc/61/25/54/701612554.db2.gz SAUXKCVECLBKAD-UHFFFAOYSA-N 2 2 345.491 1.135 20 0 EDADLP CCCCc1noc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC000939752878 699902087 /nfs/dbraw/zinc/90/20/87/699902087.db2.gz AYROMLKXSNKAES-CABCVRRESA-N 2 2 349.479 1.445 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)s1 ZINC000939757045 699923808 /nfs/dbraw/zinc/92/38/08/699923808.db2.gz WXKQEBMRFWDBED-SMDDNHRTSA-N 2 2 333.461 1.593 20 0 EDADLP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000940182744 700339753 /nfs/dbraw/zinc/33/97/53/700339753.db2.gz NMULHNUNHZWHLD-CQSZACIVSA-N 2 2 343.431 1.604 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940228418 700393390 /nfs/dbraw/zinc/39/33/90/700393390.db2.gz MFERSPBSNAZTKQ-INIZCTEOSA-N 2 2 348.491 1.750 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC000995064989 700486071 /nfs/dbraw/zinc/48/60/71/700486071.db2.gz JJYFDUDMVUCELK-TZMCWYRMSA-N 2 2 347.419 1.413 20 0 EDADLP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2noc(C3CC3)n2)CC1)[NH+](C)C ZINC000940334927 700515190 /nfs/dbraw/zinc/51/51/90/700515190.db2.gz UAWDHERJCYEHDL-AWEZNQCLSA-N 2 2 349.479 1.758 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001031881557 700534934 /nfs/dbraw/zinc/53/49/34/700534934.db2.gz OEIYWOHHDCTIMU-OAHLLOKOSA-N 2 2 340.427 1.570 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000940353240 700536872 /nfs/dbraw/zinc/53/68/72/700536872.db2.gz JYHXVFVAZJSWAV-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940398072 700594998 /nfs/dbraw/zinc/59/49/98/700594998.db2.gz XUIZQDKAUVGPDL-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000940441712 700643289 /nfs/dbraw/zinc/64/32/89/700643289.db2.gz QAMQGXBJSHHRLA-HIFRSBDPSA-N 2 2 334.464 1.799 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)CCO1 ZINC000940483945 700671497 /nfs/dbraw/zinc/67/14/97/700671497.db2.gz RWJMYRHWQKIQOI-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000940484326 700671738 /nfs/dbraw/zinc/67/17/38/700671738.db2.gz XAZXWGMJUYTYGK-UHFFFAOYSA-N 2 2 331.420 1.659 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000940621180 700782255 /nfs/dbraw/zinc/78/22/55/700782255.db2.gz PIJKJKAJVSRGKO-CABCVRRESA-N 2 2 331.464 1.288 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000940621180 700782256 /nfs/dbraw/zinc/78/22/56/700782256.db2.gz PIJKJKAJVSRGKO-CABCVRRESA-N 2 2 331.464 1.288 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000940621180 700782257 /nfs/dbraw/zinc/78/22/57/700782257.db2.gz PIJKJKAJVSRGKO-CABCVRRESA-N 2 2 331.464 1.288 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000940621180 700782258 /nfs/dbraw/zinc/78/22/58/700782258.db2.gz PIJKJKAJVSRGKO-CABCVRRESA-N 2 2 331.464 1.288 20 0 EDADLP CC1(C)C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940745997 700872260 /nfs/dbraw/zinc/87/22/60/700872260.db2.gz XUBSLBXXGDJCKH-CVEARBPZSA-N 2 2 347.463 1.128 20 0 EDADLP CC1(C)C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940745997 700872262 /nfs/dbraw/zinc/87/22/62/700872262.db2.gz XUBSLBXXGDJCKH-CVEARBPZSA-N 2 2 347.463 1.128 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c(C)n1 ZINC000945806304 701195946 /nfs/dbraw/zinc/19/59/46/701195946.db2.gz BWMURLRHIXRYFJ-KSSFIOAISA-N 2 2 341.459 1.922 20 0 EDADLP C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808000 701199087 /nfs/dbraw/zinc/19/90/87/701199087.db2.gz MSAYHTMGLJZKKH-SJLPKXTDSA-N 2 2 342.443 1.789 20 0 EDADLP C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808000 701199088 /nfs/dbraw/zinc/19/90/88/701199088.db2.gz MSAYHTMGLJZKKH-SJLPKXTDSA-N 2 2 342.443 1.789 20 0 EDADLP CC1(C)C[N@H+](CCC[C@@H]2CCOC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129422 701206203 /nfs/dbraw/zinc/20/62/03/701206203.db2.gz GABHALCKFMCTBG-HZPDHXFCSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@@H+](CCC[C@@H]2CCOC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129422 701206207 /nfs/dbraw/zinc/20/62/07/701206207.db2.gz GABHALCKFMCTBG-HZPDHXFCSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220271 701410505 /nfs/dbraw/zinc/41/05/05/701410505.db2.gz BHSLXJBAEJKEEB-HNNXBMFYSA-N 2 2 331.464 1.289 20 0 EDADLP CC1(C)C[N@@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220271 701410507 /nfs/dbraw/zinc/41/05/07/701410507.db2.gz BHSLXJBAEJKEEB-HNNXBMFYSA-N 2 2 331.464 1.289 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941221121 701411571 /nfs/dbraw/zinc/41/15/71/701411571.db2.gz LGYIVPFPEMNQPL-CQSZACIVSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941221121 701411572 /nfs/dbraw/zinc/41/15/72/701411572.db2.gz LGYIVPFPEMNQPL-CQSZACIVSA-N 2 2 335.452 1.191 20 0 EDADLP CC[C@H](F)C[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941444998 701536476 /nfs/dbraw/zinc/53/64/76/701536476.db2.gz ZITWZQRVNIOHHC-RDJZCZTQSA-N 2 2 342.503 1.149 20 0 EDADLP Cc1ncsc1C[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032132171 701862847 /nfs/dbraw/zinc/86/28/47/701862847.db2.gz MLMPJIWJARDBSE-UHFFFAOYSA-N 2 2 345.472 1.774 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001032134274 701891037 /nfs/dbraw/zinc/89/10/37/701891037.db2.gz RHGROATZTLEHOY-UHFFFAOYSA-N 2 2 331.445 1.466 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000995739721 701899347 /nfs/dbraw/zinc/89/93/47/701899347.db2.gz WVKQNLJUIWTBKJ-OAHLLOKOSA-N 2 2 345.422 1.903 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000995742237 701916416 /nfs/dbraw/zinc/91/64/16/701916416.db2.gz BQYXNJCEBOOFMM-GJZGRUSLSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944441863 702021909 /nfs/dbraw/zinc/02/19/09/702021909.db2.gz BBRANXJFESXUBC-RISCZKNCSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944441863 702021917 /nfs/dbraw/zinc/02/19/17/702021917.db2.gz BBRANXJFESXUBC-RISCZKNCSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1C ZINC000944442570 702024355 /nfs/dbraw/zinc/02/43/55/702024355.db2.gz DOVVTIOUXXMUKJ-CZUORRHYSA-N 2 2 334.464 1.514 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@H]1C ZINC000944442570 702024361 /nfs/dbraw/zinc/02/43/61/702024361.db2.gz DOVVTIOUXXMUKJ-CZUORRHYSA-N 2 2 334.464 1.514 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](C)C2)o1 ZINC000944447072 702038383 /nfs/dbraw/zinc/03/83/83/702038383.db2.gz XENYTQGGTCIURI-XHDPSFHLSA-N 2 2 345.447 1.892 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](C)C2)o1 ZINC000944447072 702038388 /nfs/dbraw/zinc/03/83/88/702038388.db2.gz XENYTQGGTCIURI-XHDPSFHLSA-N 2 2 345.447 1.892 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995182815 702094301 /nfs/dbraw/zinc/09/43/01/702094301.db2.gz KGKFGHVTAGSFGF-ZFWWWQNUSA-N 2 2 345.422 1.869 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995825595 702096870 /nfs/dbraw/zinc/09/68/70/702096870.db2.gz OETFJOLEHMCTMS-BNOWGMLFSA-N 2 2 337.493 1.205 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)CC[N@H+]1C ZINC000995825595 702096877 /nfs/dbraw/zinc/09/68/77/702096877.db2.gz OETFJOLEHMCTMS-BNOWGMLFSA-N 2 2 337.493 1.205 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)C1 ZINC000995892412 702192183 /nfs/dbraw/zinc/19/21/83/702192183.db2.gz NOAPCAUIMRIAGF-CVEARBPZSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000995892412 702192188 /nfs/dbraw/zinc/19/21/88/702192188.db2.gz NOAPCAUIMRIAGF-CVEARBPZSA-N 2 2 348.491 1.984 20 0 EDADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)n1 ZINC000996044115 702438148 /nfs/dbraw/zinc/43/81/48/702438148.db2.gz RYEMAAGATIXTEF-MRXNPFEDSA-N 2 2 344.463 1.435 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000995196523 702442331 /nfs/dbraw/zinc/44/23/31/702442331.db2.gz LHDROTKXXXWELQ-LSDHHAIUSA-N 2 2 331.420 1.563 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996301174 702693023 /nfs/dbraw/zinc/69/30/23/702693023.db2.gz RCRDMUOIPDDENR-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)C1 ZINC000996311502 702700298 /nfs/dbraw/zinc/70/02/98/702700298.db2.gz SJBPBRVSHZKONB-CQSZACIVSA-N 2 2 335.452 1.128 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)C1 ZINC000996311502 702700299 /nfs/dbraw/zinc/70/02/99/702700299.db2.gz SJBPBRVSHZKONB-CQSZACIVSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H](CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)n1cc[nH+]c1 ZINC000942208083 702713663 /nfs/dbraw/zinc/71/36/63/702713663.db2.gz RHLBDAWIWKJNAQ-OAGGEKHMSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@H](CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)n1cc[nH+]c1 ZINC000942208083 702713664 /nfs/dbraw/zinc/71/36/64/702713664.db2.gz RHLBDAWIWKJNAQ-OAGGEKHMSA-N 2 2 347.463 1.036 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000996354470 702732427 /nfs/dbraw/zinc/73/24/27/702732427.db2.gz ILTJJCYZBWOFJW-DLBZAZTESA-N 2 2 348.491 1.720 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@@H]([NH2+]C[C@H](C)O)C(C)(C)C3)[nH+]c12 ZINC000996414871 702765669 /nfs/dbraw/zinc/76/56/69/702765669.db2.gz QMQJXHIXHYQNSD-GOEBONIOSA-N 2 2 344.459 1.393 20 0 EDADLP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)c1 ZINC000996461121 702789176 /nfs/dbraw/zinc/78/91/76/702789176.db2.gz MAKRPBZJAGITNM-OAHLLOKOSA-N 2 2 343.431 1.383 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996461055 702789201 /nfs/dbraw/zinc/78/92/01/702789201.db2.gz LFMVFXIKKSYGPE-ZDUSSCGKSA-N 2 2 333.461 1.744 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)C1 ZINC000996456132 702800797 /nfs/dbraw/zinc/80/07/97/702800797.db2.gz IIFFCHVIVWKKKO-KGLIPLIRSA-N 2 2 334.464 1.594 20 0 EDADLP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996512122 702831483 /nfs/dbraw/zinc/83/14/83/702831483.db2.gz AUANNIFLUCGZNX-QGZVFWFLSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)cn1 ZINC000996514983 702850449 /nfs/dbraw/zinc/85/04/49/702850449.db2.gz OUGVWHXOFYMEAR-MRXNPFEDSA-N 2 2 342.447 1.088 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC2(C)C)on1 ZINC000996568075 702880253 /nfs/dbraw/zinc/88/02/53/702880253.db2.gz BEPHRBSULRIHKK-INIZCTEOSA-N 2 2 345.447 1.676 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996568775 702880728 /nfs/dbraw/zinc/88/07/28/702880728.db2.gz LRMUGNFGLUGBRL-OAHLLOKOSA-N 2 2 347.488 1.836 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1 ZINC000996564505 702885750 /nfs/dbraw/zinc/88/57/50/702885750.db2.gz ULDJKERAPQINQK-INIZCTEOSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996564547 702885906 /nfs/dbraw/zinc/88/59/06/702885906.db2.gz URXYODHIFCTFOI-OAHLLOKOSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996608175 702911566 /nfs/dbraw/zinc/91/15/66/702911566.db2.gz BVPSAXONZJVHOP-FZMZJTMJSA-N 2 2 346.435 1.471 20 0 EDADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)[nH]1 ZINC000996613965 702918948 /nfs/dbraw/zinc/91/89/48/702918948.db2.gz XKHCFOYMZFSFOA-UONOGXRCSA-N 2 2 348.495 1.351 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2nccc(C)n2)C(C)(C)C1 ZINC000996626098 702929522 /nfs/dbraw/zinc/92/95/22/702929522.db2.gz UHGAWKOFEUXFAO-HNNXBMFYSA-N 2 2 342.447 1.317 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)ccn1 ZINC000996653165 702942566 /nfs/dbraw/zinc/94/25/66/702942566.db2.gz ZGDORQDHJYMWQL-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)ccn1 ZINC000996653165 702942568 /nfs/dbraw/zinc/94/25/68/702942568.db2.gz ZGDORQDHJYMWQL-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)no1 ZINC000996671626 702972842 /nfs/dbraw/zinc/97/28/42/702972842.db2.gz PTGQAJTVPFDYGL-UHFFFAOYSA-N 2 2 335.452 1.197 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996682819 702980891 /nfs/dbraw/zinc/98/08/91/702980891.db2.gz BUFWGSALVRCBBK-ARFHVFGLSA-N 2 2 332.448 1.663 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996682819 702980893 /nfs/dbraw/zinc/98/08/93/702980893.db2.gz BUFWGSALVRCBBK-ARFHVFGLSA-N 2 2 332.448 1.663 20 0 EDADLP CCc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000995253750 702989713 /nfs/dbraw/zinc/98/97/13/702989713.db2.gz UAOOBEMAGDNGIS-STQMWFEESA-N 2 2 348.476 1.372 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996713205 703008163 /nfs/dbraw/zinc/00/81/63/703008163.db2.gz AOYZWQODASTELI-AWEZNQCLSA-N 2 2 333.432 1.250 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000996714646 703009495 /nfs/dbraw/zinc/00/94/95/703009495.db2.gz LVHDGGQUESZFHD-IAGOWNOFSA-N 2 2 342.443 1.443 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC000942517825 703012067 /nfs/dbraw/zinc/01/20/67/703012067.db2.gz HCDJWTPLWXJDPZ-IUODEOHRSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC000942517825 703012070 /nfs/dbraw/zinc/01/20/70/703012070.db2.gz HCDJWTPLWXJDPZ-IUODEOHRSA-N 2 2 347.488 1.983 20 0 EDADLP COc1ncccc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996717063 703015722 /nfs/dbraw/zinc/01/57/22/703015722.db2.gz RVKQZEDBCZEXSC-HNNXBMFYSA-N 2 2 343.431 1.314 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000942518828 703020751 /nfs/dbraw/zinc/02/07/51/703020751.db2.gz XSDXBEYEYMUIRT-DYVFJYSZSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000942518828 703020756 /nfs/dbraw/zinc/02/07/56/703020756.db2.gz XSDXBEYEYMUIRT-DYVFJYSZSA-N 2 2 342.447 1.317 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996755614 703044446 /nfs/dbraw/zinc/04/44/46/703044446.db2.gz HQORVVUXBCSIGL-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996763252 703055363 /nfs/dbraw/zinc/05/53/63/703055363.db2.gz XUFFXALAYWEPFT-LSDHHAIUSA-N 2 2 332.448 1.063 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)no1 ZINC000996799798 703085718 /nfs/dbraw/zinc/08/57/18/703085718.db2.gz YJTQUGYKNGVJNY-UHFFFAOYSA-N 2 2 346.435 1.308 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001060769584 703096356 /nfs/dbraw/zinc/09/63/56/703096356.db2.gz QMLYBPQEXLAQGC-SHTZXODSSA-N 2 2 349.479 1.004 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000996832818 703115621 /nfs/dbraw/zinc/11/56/21/703115621.db2.gz GKLIIVBSLSQBCO-QGZVFWFLSA-N 2 2 348.491 1.893 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)c(C)[nH+]1 ZINC000996831998 703120354 /nfs/dbraw/zinc/12/03/54/703120354.db2.gz STWZSOYYYUGKKE-OAHLLOKOSA-N 2 2 330.432 1.090 20 0 EDADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C(F)(F)F ZINC000996852766 703131195 /nfs/dbraw/zinc/13/11/95/703131195.db2.gz BTELXZVHHAHTNF-YPMHNXCESA-N 2 2 332.370 1.598 20 0 EDADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC000996855618 703133752 /nfs/dbraw/zinc/13/37/52/703133752.db2.gz IWUCROJHQFHYOA-DGCLKSJQSA-N 2 2 332.370 1.599 20 0 EDADLP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000996857455 703141731 /nfs/dbraw/zinc/14/17/31/703141731.db2.gz BMKWCRUPFOWASZ-UHFFFAOYSA-N 2 2 344.463 1.367 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CCC2)C1 ZINC000996859592 703143415 /nfs/dbraw/zinc/14/34/15/703143415.db2.gz PJRGJBIZGSTDQD-KBPBESRZSA-N 2 2 344.381 1.910 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997082802 703320707 /nfs/dbraw/zinc/32/07/07/703320707.db2.gz FALNRJHIERTVHX-LBPRGKRZSA-N 2 2 331.420 1.666 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997082802 703320710 /nfs/dbraw/zinc/32/07/10/703320710.db2.gz FALNRJHIERTVHX-LBPRGKRZSA-N 2 2 331.420 1.666 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](C)C2)o1 ZINC000942823363 703331994 /nfs/dbraw/zinc/33/19/94/703331994.db2.gz UKXSTLWJIOOLFU-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](C)C2)o1 ZINC000942823363 703331999 /nfs/dbraw/zinc/33/19/99/703331999.db2.gz UKXSTLWJIOOLFU-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](C)C2)o1 ZINC000942823363 703332000 /nfs/dbraw/zinc/33/20/00/703332000.db2.gz UKXSTLWJIOOLFU-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](C)C2)o1 ZINC000942823363 703332003 /nfs/dbraw/zinc/33/20/03/703332003.db2.gz UKXSTLWJIOOLFU-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000997102122 703342064 /nfs/dbraw/zinc/34/20/64/703342064.db2.gz VLMPSIPXGUEDAW-XJKCOSOUSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000997102122 703342066 /nfs/dbraw/zinc/34/20/66/703342066.db2.gz VLMPSIPXGUEDAW-XJKCOSOUSA-N 2 2 349.479 1.435 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1 ZINC001032379848 703355936 /nfs/dbraw/zinc/35/59/36/703355936.db2.gz HUGCXSXQXIFXPG-HOTGVXAUSA-N 2 2 340.427 1.706 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1 ZINC001032379848 703355939 /nfs/dbraw/zinc/35/59/39/703355939.db2.gz HUGCXSXQXIFXPG-HOTGVXAUSA-N 2 2 340.427 1.706 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]CCn2cc(Cl)cn2)CC1 ZINC000997120377 703377513 /nfs/dbraw/zinc/37/75/13/703377513.db2.gz QEIYRHUVINTAJL-UHFFFAOYSA-N 2 2 336.827 1.083 20 0 EDADLP Cc1nc(CC[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cs1 ZINC000997121085 703378210 /nfs/dbraw/zinc/37/82/10/703378210.db2.gz TVBMSMROFRATCH-UHFFFAOYSA-N 2 2 333.461 1.540 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000997179484 703463421 /nfs/dbraw/zinc/46/34/21/703463421.db2.gz BCSJBSAVUWMOOT-RHSMWYFYSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000997179484 703463423 /nfs/dbraw/zinc/46/34/23/703463423.db2.gz BCSJBSAVUWMOOT-RHSMWYFYSA-N 2 2 348.495 1.016 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)on1 ZINC000997181770 703466581 /nfs/dbraw/zinc/46/65/81/703466581.db2.gz DTMIQARJADUCDH-UHFFFAOYSA-N 2 2 347.419 1.465 20 0 EDADLP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC000997183094 703468379 /nfs/dbraw/zinc/46/83/79/703468379.db2.gz NTCBSCSGGLDELA-UHFFFAOYSA-N 2 2 344.463 1.521 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000997180691 703470837 /nfs/dbraw/zinc/47/08/37/703470837.db2.gz SYDSYPWODFEJEG-OAGGEKHMSA-N 2 2 330.476 1.979 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)s1 ZINC000997223277 703500526 /nfs/dbraw/zinc/50/05/26/703500526.db2.gz ZDMPIVACHBNJGO-LLVKDONJSA-N 2 2 348.476 1.762 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)c1 ZINC001032445465 703614491 /nfs/dbraw/zinc/61/44/91/703614491.db2.gz HGFYIKVHDJXPLC-JENIJYKNSA-N 2 2 343.471 1.821 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)c1 ZINC001032445465 703614493 /nfs/dbraw/zinc/61/44/93/703614493.db2.gz HGFYIKVHDJXPLC-JENIJYKNSA-N 2 2 343.471 1.821 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnn(C)c2)C1 ZINC001032443287 703619552 /nfs/dbraw/zinc/61/95/52/703619552.db2.gz QKHLRZFUEBIUCK-SQNIBIBYSA-N 2 2 345.491 1.183 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnn(C)c2)C1 ZINC001032443287 703619554 /nfs/dbraw/zinc/61/95/54/703619554.db2.gz QKHLRZFUEBIUCK-SQNIBIBYSA-N 2 2 345.491 1.183 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnn(C)c2)C1 ZINC001032443287 703619556 /nfs/dbraw/zinc/61/95/56/703619556.db2.gz QKHLRZFUEBIUCK-SQNIBIBYSA-N 2 2 345.491 1.183 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnn(C)c2)C1 ZINC001032443287 703619558 /nfs/dbraw/zinc/61/95/58/703619558.db2.gz QKHLRZFUEBIUCK-SQNIBIBYSA-N 2 2 345.491 1.183 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)c1 ZINC001032443592 703620055 /nfs/dbraw/zinc/62/00/55/703620055.db2.gz YWFMTLMNVOJCQS-IRXDYDNUSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)c1 ZINC001032443592 703620056 /nfs/dbraw/zinc/62/00/56/703620056.db2.gz YWFMTLMNVOJCQS-IRXDYDNUSA-N 2 2 343.471 1.965 20 0 EDADLP 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C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1 ZINC000998728069 706157888 /nfs/dbraw/zinc/15/78/88/706157888.db2.gz BHHSJIBGHIPOMA-GJZGRUSLSA-N 2 2 347.463 1.197 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000998726027 706160437 /nfs/dbraw/zinc/16/04/37/706160437.db2.gz YJYDUMBHTFZCPP-ZIAGYGMSSA-N 2 2 333.436 1.122 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000998726027 706160440 /nfs/dbraw/zinc/16/04/40/706160440.db2.gz YJYDUMBHTFZCPP-ZIAGYGMSSA-N 2 2 333.436 1.122 20 0 EDADLP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC000999057592 706479261 /nfs/dbraw/zinc/47/92/61/706479261.db2.gz MCAKUDJDAKXTMU-UHFFFAOYSA-N 2 2 340.387 1.419 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999110473 706537529 /nfs/dbraw/zinc/53/75/29/706537529.db2.gz JRHQAQOPLBPPDP-UHFFFAOYSA-N 2 2 338.415 1.461 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999323646 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Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)o1 ZINC000999549540 707049015 /nfs/dbraw/zinc/04/90/15/707049015.db2.gz UAEXKGGZJZXNCW-CABCVRRESA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999561774 707058980 /nfs/dbraw/zinc/05/89/80/707058980.db2.gz OJHUZUDLZXWXDE-CQSZACIVSA-N 2 2 347.419 1.427 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000999605713 707070314 /nfs/dbraw/zinc/07/03/14/707070314.db2.gz NXRWYGKORMIKND-UHFFFAOYSA-N 2 2 346.406 1.363 20 0 EDADLP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000999606575 707119942 /nfs/dbraw/zinc/11/99/42/707119942.db2.gz YMSKLWHBKDCUPG-UHFFFAOYSA-N 2 2 330.436 1.045 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000999683275 707167983 /nfs/dbraw/zinc/16/79/83/707167983.db2.gz QBHGGHYKNIILCZ-GJZGRUSLSA-N 2 2 328.416 1.565 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)ccn1 ZINC001033266361 707292445 /nfs/dbraw/zinc/29/24/45/707292445.db2.gz OJRDPKKUIAYJRS-INIZCTEOSA-N 2 2 343.431 1.328 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)ccn1 ZINC001033266361 707292455 /nfs/dbraw/zinc/29/24/55/707292455.db2.gz OJRDPKKUIAYJRS-INIZCTEOSA-N 2 2 343.431 1.328 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)no1 ZINC001033181730 707344147 /nfs/dbraw/zinc/34/41/47/707344147.db2.gz JXQHSOKUDBGSQC-QGZVFWFLSA-N 2 2 346.475 1.892 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)no1 ZINC001033181730 707344152 /nfs/dbraw/zinc/34/41/52/707344152.db2.gz JXQHSOKUDBGSQC-QGZVFWFLSA-N 2 2 346.475 1.892 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC000999838294 707409883 /nfs/dbraw/zinc/40/98/83/707409883.db2.gz UUICCVMFZDTQBR-INIZCTEOSA-N 2 2 343.431 1.458 20 0 EDADLP COc1nscc1C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999843918 707418202 /nfs/dbraw/zinc/41/82/02/707418202.db2.gz XYWBOTDAJXXUJZ-CQSZACIVSA-N 2 2 349.460 1.519 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999834793 707467845 /nfs/dbraw/zinc/46/78/45/707467845.db2.gz FSUIVIXDEJMWCH-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000999837193 707473752 /nfs/dbraw/zinc/47/37/52/707473752.db2.gz ODGJNHSAFSNMMN-GWMXKSKGSA-N 2 2 332.408 1.223 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033203258 707603136 /nfs/dbraw/zinc/60/31/36/707603136.db2.gz QCGFIWLVQIMXCR-GXTWGEPZSA-N 2 2 344.381 1.931 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033203258 707603139 /nfs/dbraw/zinc/60/31/39/707603139.db2.gz QCGFIWLVQIMXCR-GXTWGEPZSA-N 2 2 344.381 1.931 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033210098 707663181 /nfs/dbraw/zinc/66/31/81/707663181.db2.gz UYDJFPDTLBVFGA-IAGOWNOFSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033210098 707663183 /nfs/dbraw/zinc/66/31/83/707663183.db2.gz UYDJFPDTLBVFGA-IAGOWNOFSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004942851 707689833 /nfs/dbraw/zinc/68/98/33/707689833.db2.gz BGHUHDFXAOPGCA-YOEHRIQHSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)s1 ZINC001033391486 707723989 /nfs/dbraw/zinc/72/39/89/707723989.db2.gz SYORXNRAUMBPQM-OAHLLOKOSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)s1 ZINC001033391486 707723992 /nfs/dbraw/zinc/72/39/92/707723992.db2.gz SYORXNRAUMBPQM-OAHLLOKOSA-N 2 2 336.505 1.826 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2F)C1 ZINC001032730827 707730246 /nfs/dbraw/zinc/73/02/46/707730246.db2.gz RHIPZYLCCMFCFR-PVAVHDDUSA-N 2 2 331.435 1.953 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2F)C1 ZINC001032730827 707730250 /nfs/dbraw/zinc/73/02/50/707730250.db2.gz RHIPZYLCCMFCFR-PVAVHDDUSA-N 2 2 331.435 1.953 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2F)C1 ZINC001032730827 707730258 /nfs/dbraw/zinc/73/02/58/707730258.db2.gz RHIPZYLCCMFCFR-PVAVHDDUSA-N 2 2 331.435 1.953 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2F)C1 ZINC001032730827 707730263 /nfs/dbraw/zinc/73/02/63/707730263.db2.gz RHIPZYLCCMFCFR-PVAVHDDUSA-N 2 2 331.435 1.953 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033397586 707737940 /nfs/dbraw/zinc/73/79/40/707737940.db2.gz TXNQPLGIMAZBTL-WFASDCNBSA-N 2 2 335.452 1.314 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033397586 707737946 /nfs/dbraw/zinc/73/79/46/707737946.db2.gz TXNQPLGIMAZBTL-WFASDCNBSA-N 2 2 335.452 1.314 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C1CCCCC1 ZINC001032733045 707739966 /nfs/dbraw/zinc/73/99/66/707739966.db2.gz HMVCWJWFWGUROT-OKZBNKHCSA-N 2 2 346.475 1.189 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)C1CCCCC1 ZINC001032733045 707739971 /nfs/dbraw/zinc/73/99/71/707739971.db2.gz HMVCWJWFWGUROT-OKZBNKHCSA-N 2 2 346.475 1.189 20 0 EDADLP Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004959796 707772907 /nfs/dbraw/zinc/77/29/07/707772907.db2.gz YTEOOCUPBGRHIW-LRDDRELGSA-N 2 2 331.420 1.808 20 0 EDADLP Cc1nccnc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004962389 707784852 /nfs/dbraw/zinc/78/48/52/707784852.db2.gz BVHDAAFGMVEQPX-GOEBONIOSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)ncn1 ZINC001033418869 707804648 /nfs/dbraw/zinc/80/46/48/707804648.db2.gz FDWVYIPPQGSUJB-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)ncn1 ZINC001033418869 707804649 /nfs/dbraw/zinc/80/46/49/707804649.db2.gz FDWVYIPPQGSUJB-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)ncn1 ZINC001033418869 707804650 /nfs/dbraw/zinc/80/46/50/707804650.db2.gz FDWVYIPPQGSUJB-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)ncn1 ZINC001033418869 707804651 /nfs/dbraw/zinc/80/46/51/707804651.db2.gz FDWVYIPPQGSUJB-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP COc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033423158 707838842 /nfs/dbraw/zinc/83/88/42/707838842.db2.gz LKKGIAJKHLXKDP-ZBFHGGJFSA-N 2 2 347.463 1.002 20 0 EDADLP COc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033423158 707838843 /nfs/dbraw/zinc/83/88/43/707838843.db2.gz LKKGIAJKHLXKDP-ZBFHGGJFSA-N 2 2 347.463 1.002 20 0 EDADLP COc1cncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001033423158 707838844 /nfs/dbraw/zinc/83/88/44/707838844.db2.gz LKKGIAJKHLXKDP-ZBFHGGJFSA-N 2 2 347.463 1.002 20 0 EDADLP COc1cncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001033423158 707838845 /nfs/dbraw/zinc/83/88/45/707838845.db2.gz LKKGIAJKHLXKDP-ZBFHGGJFSA-N 2 2 347.463 1.002 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001061603810 707839822 /nfs/dbraw/zinc/83/98/22/707839822.db2.gz GWSTUEVZBMENBX-HOTGVXAUSA-N 2 2 345.491 1.803 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001061603810 707839826 /nfs/dbraw/zinc/83/98/26/707839826.db2.gz GWSTUEVZBMENBX-HOTGVXAUSA-N 2 2 345.491 1.803 20 0 EDADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033426208 707847062 /nfs/dbraw/zinc/84/70/62/707847062.db2.gz OQKJHXPOPWLGEG-QGZVFWFLSA-N 2 2 348.466 1.985 20 0 EDADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033426208 707847064 /nfs/dbraw/zinc/84/70/64/707847064.db2.gz OQKJHXPOPWLGEG-QGZVFWFLSA-N 2 2 348.466 1.985 20 0 EDADLP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033426208 707847067 /nfs/dbraw/zinc/84/70/67/707847067.db2.gz OQKJHXPOPWLGEG-QGZVFWFLSA-N 2 2 348.466 1.985 20 0 EDADLP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033426208 707847069 /nfs/dbraw/zinc/84/70/69/707847069.db2.gz OQKJHXPOPWLGEG-QGZVFWFLSA-N 2 2 348.466 1.985 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CC1(Cl)Cl ZINC001032782796 707976205 /nfs/dbraw/zinc/97/62/05/707976205.db2.gz MWTNBABHMHOGBH-IHRRRGAJSA-N 2 2 346.302 1.951 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CC1(Cl)Cl ZINC001032782796 707976206 /nfs/dbraw/zinc/97/62/06/707976206.db2.gz MWTNBABHMHOGBH-IHRRRGAJSA-N 2 2 346.302 1.951 20 0 EDADLP Cc1ncoc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032800764 708083477 /nfs/dbraw/zinc/08/34/77/708083477.db2.gz AANBFQMKQVQFOZ-HOTGVXAUSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1ncoc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032800764 708083479 /nfs/dbraw/zinc/08/34/79/708083479.db2.gz AANBFQMKQVQFOZ-HOTGVXAUSA-N 2 2 332.448 1.644 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033593024 708291976 /nfs/dbraw/zinc/29/19/76/708291976.db2.gz FFQAUPHCZWAGMM-RDJZCZTQSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033593024 708291980 /nfs/dbraw/zinc/29/19/80/708291980.db2.gz FFQAUPHCZWAGMM-RDJZCZTQSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033593024 708291983 /nfs/dbraw/zinc/29/19/83/708291983.db2.gz FFQAUPHCZWAGMM-RDJZCZTQSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033593024 708291986 /nfs/dbraw/zinc/29/19/86/708291986.db2.gz FFQAUPHCZWAGMM-RDJZCZTQSA-N 2 2 333.480 1.278 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)on1 ZINC001033593147 708292641 /nfs/dbraw/zinc/29/26/41/708292641.db2.gz GMVXTKJWYTYOBD-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)on1 ZINC001033593147 708292643 /nfs/dbraw/zinc/29/26/43/708292643.db2.gz GMVXTKJWYTYOBD-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001033593147 708292644 /nfs/dbraw/zinc/29/26/44/708292644.db2.gz GMVXTKJWYTYOBD-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001033593147 708292646 /nfs/dbraw/zinc/29/26/46/708292646.db2.gz GMVXTKJWYTYOBD-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)s1 ZINC001033595890 708300042 /nfs/dbraw/zinc/30/00/42/708300042.db2.gz VXQWONCZQIJQKQ-AWEZNQCLSA-N 2 2 347.488 1.769 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)s1 ZINC001033595890 708300046 /nfs/dbraw/zinc/30/00/46/708300046.db2.gz VXQWONCZQIJQKQ-AWEZNQCLSA-N 2 2 347.488 1.769 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001001826575 708328972 /nfs/dbraw/zinc/32/89/72/708328972.db2.gz WRVSDHDNSJIXAG-SWLSCSKDSA-N 2 2 337.493 1.064 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001001826575 708328974 /nfs/dbraw/zinc/32/89/74/708328974.db2.gz WRVSDHDNSJIXAG-SWLSCSKDSA-N 2 2 337.493 1.064 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC001033657308 708428233 /nfs/dbraw/zinc/42/82/33/708428233.db2.gz JPIRXVWYKNTURI-INIZCTEOSA-N 2 2 332.448 1.219 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC001033670662 708461019 /nfs/dbraw/zinc/46/10/19/708461019.db2.gz WZNBWAWKNQKVCI-ZFWWWQNUSA-N 2 2 328.420 1.275 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC001033670662 708461020 /nfs/dbraw/zinc/46/10/20/708461020.db2.gz WZNBWAWKNQKVCI-ZFWWWQNUSA-N 2 2 328.420 1.275 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001002001564 708517913 /nfs/dbraw/zinc/51/79/13/708517913.db2.gz UDCJJRWADJQGOH-OAHLLOKOSA-N 2 2 342.443 1.695 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033701299 708527382 /nfs/dbraw/zinc/52/73/82/708527382.db2.gz AVBGZLSOZSTFDH-DLBZAZTESA-N 2 2 328.416 1.149 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033701299 708527387 /nfs/dbraw/zinc/52/73/87/708527387.db2.gz AVBGZLSOZSTFDH-DLBZAZTESA-N 2 2 328.416 1.149 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703890 708532827 /nfs/dbraw/zinc/53/28/27/708532827.db2.gz JVTUYTHJXNRZOH-AWEZNQCLSA-N 2 2 333.461 1.423 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703890 708532829 /nfs/dbraw/zinc/53/28/29/708532829.db2.gz JVTUYTHJXNRZOH-AWEZNQCLSA-N 2 2 333.461 1.423 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC001033704452 708533607 /nfs/dbraw/zinc/53/36/07/708533607.db2.gz VOUOKZFNHQXUQP-MSOLQXFVSA-N 2 2 342.443 1.019 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC001033704452 708533609 /nfs/dbraw/zinc/53/36/09/708533609.db2.gz VOUOKZFNHQXUQP-MSOLQXFVSA-N 2 2 342.443 1.019 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)C1 ZINC001002119606 708632765 /nfs/dbraw/zinc/63/27/65/708632765.db2.gz BYJXLHWLZMZGET-HNNXBMFYSA-N 2 2 347.463 1.227 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)C1 ZINC001002119606 708632767 /nfs/dbraw/zinc/63/27/67/708632767.db2.gz BYJXLHWLZMZGET-HNNXBMFYSA-N 2 2 347.463 1.227 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033788418 708698604 /nfs/dbraw/zinc/69/86/04/708698604.db2.gz HIOGCRXCLMCSLZ-DLBZAZTESA-N 2 2 337.508 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033788418 708698606 /nfs/dbraw/zinc/69/86/06/708698606.db2.gz HIOGCRXCLMCSLZ-DLBZAZTESA-N 2 2 337.508 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033788418 708698607 /nfs/dbraw/zinc/69/86/07/708698607.db2.gz HIOGCRXCLMCSLZ-DLBZAZTESA-N 2 2 337.508 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033788418 708698608 /nfs/dbraw/zinc/69/86/08/708698608.db2.gz HIOGCRXCLMCSLZ-DLBZAZTESA-N 2 2 337.508 1.676 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005398265 708881352 /nfs/dbraw/zinc/88/13/52/708881352.db2.gz MWUSTMWOMPXVCR-QGZVFWFLSA-N 2 2 343.475 1.241 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874382 708967443 /nfs/dbraw/zinc/96/74/43/708967443.db2.gz XIZIIYNTXXLLJJ-BBRMVZONSA-N 2 2 343.431 1.363 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874382 708967446 /nfs/dbraw/zinc/96/74/46/708967446.db2.gz XIZIIYNTXXLLJJ-BBRMVZONSA-N 2 2 343.431 1.363 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033882190 708981713 /nfs/dbraw/zinc/98/17/13/708981713.db2.gz YALBWCASPMYSJD-CABCVRRESA-N 2 2 334.464 1.392 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033882190 708981714 /nfs/dbraw/zinc/98/17/14/708981714.db2.gz YALBWCASPMYSJD-CABCVRRESA-N 2 2 334.464 1.392 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033882190 708981715 /nfs/dbraw/zinc/98/17/15/708981715.db2.gz YALBWCASPMYSJD-CABCVRRESA-N 2 2 334.464 1.392 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033882190 708981716 /nfs/dbraw/zinc/98/17/16/708981716.db2.gz YALBWCASPMYSJD-CABCVRRESA-N 2 2 334.464 1.392 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nc(C)no2)CC1 ZINC001005475476 709112168 /nfs/dbraw/zinc/11/21/68/709112168.db2.gz IBRUDIFBXHXDMD-MRXNPFEDSA-N 2 2 349.479 1.675 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nc(C)no2)CC1 ZINC001005475476 709112170 /nfs/dbraw/zinc/11/21/70/709112170.db2.gz IBRUDIFBXHXDMD-MRXNPFEDSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[N@H+](CCOC)C1 ZINC001034003681 709242707 /nfs/dbraw/zinc/24/27/07/709242707.db2.gz GSIZURQRTBGVOK-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001034003681 709242708 /nfs/dbraw/zinc/24/27/08/709242708.db2.gz GSIZURQRTBGVOK-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001034048472 709302337 /nfs/dbraw/zinc/30/23/37/709302337.db2.gz PNHGRRHJRROXBQ-CJKAQPIMSA-N 2 2 329.872 1.382 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001034048472 709302339 /nfs/dbraw/zinc/30/23/39/709302339.db2.gz PNHGRRHJRROXBQ-CJKAQPIMSA-N 2 2 329.872 1.382 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001034048472 709302342 /nfs/dbraw/zinc/30/23/42/709302342.db2.gz PNHGRRHJRROXBQ-CJKAQPIMSA-N 2 2 329.872 1.382 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001034048472 709302345 /nfs/dbraw/zinc/30/23/45/709302345.db2.gz PNHGRRHJRROXBQ-CJKAQPIMSA-N 2 2 329.872 1.382 20 0 EDADLP CCn1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)nn1 ZINC001002793646 709401633 /nfs/dbraw/zinc/40/16/33/709401633.db2.gz YOEQZDNYEBBQDW-QGZVFWFLSA-N 2 2 348.495 1.251 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001002859774 709468333 /nfs/dbraw/zinc/46/83/33/709468333.db2.gz FVSNJTDJHWABDW-TYNCELHUSA-N 2 2 334.468 1.095 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001002859774 709468335 /nfs/dbraw/zinc/46/83/35/709468335.db2.gz FVSNJTDJHWABDW-TYNCELHUSA-N 2 2 334.468 1.095 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnnn2C)C1 ZINC001034204751 709526926 /nfs/dbraw/zinc/52/69/26/709526926.db2.gz PRQURFLAGXIIMN-DOTOQJQBSA-N 2 2 348.495 1.159 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cnnn2C)C1 ZINC001034204751 709526927 /nfs/dbraw/zinc/52/69/27/709526927.db2.gz PRQURFLAGXIIMN-DOTOQJQBSA-N 2 2 348.495 1.159 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cnnn2C)C1 ZINC001034204751 709526928 /nfs/dbraw/zinc/52/69/28/709526928.db2.gz PRQURFLAGXIIMN-DOTOQJQBSA-N 2 2 348.495 1.159 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cnnn2C)C1 ZINC001034204751 709526929 /nfs/dbraw/zinc/52/69/29/709526929.db2.gz PRQURFLAGXIIMN-DOTOQJQBSA-N 2 2 348.495 1.159 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001005528929 709609569 /nfs/dbraw/zinc/60/95/69/709609569.db2.gz JEPGXCKNGZAKTH-DJIMGWMZSA-N 2 2 346.475 1.863 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001005528929 709609572 /nfs/dbraw/zinc/60/95/72/709609572.db2.gz JEPGXCKNGZAKTH-DJIMGWMZSA-N 2 2 346.475 1.863 20 0 EDADLP Cn1cncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034278020 709693181 /nfs/dbraw/zinc/69/31/81/709693181.db2.gz VKBGUBDIZKRXCJ-RDJZCZTQSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cncc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034278020 709693182 /nfs/dbraw/zinc/69/31/82/709693182.db2.gz VKBGUBDIZKRXCJ-RDJZCZTQSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034278020 709693183 /nfs/dbraw/zinc/69/31/83/709693183.db2.gz VKBGUBDIZKRXCJ-RDJZCZTQSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034278020 709693184 /nfs/dbraw/zinc/69/31/84/709693184.db2.gz VKBGUBDIZKRXCJ-RDJZCZTQSA-N 2 2 333.480 1.375 20 0 EDADLP Cc1noc(C[N@H+]2CCCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001034432445 710001775 /nfs/dbraw/zinc/00/17/75/710001775.db2.gz VWXBVFSOKNPFOX-INIZCTEOSA-N 2 2 349.479 1.581 20 0 EDADLP Cc1noc(C[N@@H+]2CCCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001034432445 710001780 /nfs/dbraw/zinc/00/17/80/710001780.db2.gz VWXBVFSOKNPFOX-INIZCTEOSA-N 2 2 349.479 1.581 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001003146564 710045037 /nfs/dbraw/zinc/04/50/37/710045037.db2.gz SPNMGWZXBIQLDV-IRXDYDNUSA-N 2 2 345.491 1.518 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001003146564 710045044 /nfs/dbraw/zinc/04/50/44/710045044.db2.gz SPNMGWZXBIQLDV-IRXDYDNUSA-N 2 2 345.491 1.518 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)o1 ZINC001003147524 710046346 /nfs/dbraw/zinc/04/63/46/710046346.db2.gz WNHCUIYRSLPVMM-HZPDHXFCSA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)o1 ZINC001003147524 710046354 /nfs/dbraw/zinc/04/63/54/710046354.db2.gz WNHCUIYRSLPVMM-HZPDHXFCSA-N 2 2 347.463 1.476 20 0 EDADLP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001003155767 710058353 /nfs/dbraw/zinc/05/83/53/710058353.db2.gz BILMYZIDYHILKQ-HNNXBMFYSA-N 2 2 329.404 1.021 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1 ZINC001034485951 710131953 /nfs/dbraw/zinc/13/19/53/710131953.db2.gz HVZAUCKHGGNTFX-MRXNPFEDSA-N 2 2 343.475 1.352 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1 ZINC001034485951 710131955 /nfs/dbraw/zinc/13/19/55/710131955.db2.gz HVZAUCKHGGNTFX-MRXNPFEDSA-N 2 2 343.475 1.352 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](Cc2ncccn2)C1)C12CC[NH+](CC1)C2 ZINC001034488675 710138112 /nfs/dbraw/zinc/13/81/12/710138112.db2.gz XFPFEVPBZVDDQW-OAHLLOKOSA-N 2 2 329.448 1.043 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](Cc2ncccn2)C1)C12CC[NH+](CC1)C2 ZINC001034488675 710138117 /nfs/dbraw/zinc/13/81/17/710138117.db2.gz XFPFEVPBZVDDQW-OAHLLOKOSA-N 2 2 329.448 1.043 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001034523749 710171620 /nfs/dbraw/zinc/17/16/20/710171620.db2.gz BIPCXVMURGQDQP-JKSUJKDBSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001034523749 710171622 /nfs/dbraw/zinc/17/16/22/710171622.db2.gz BIPCXVMURGQDQP-JKSUJKDBSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001034523749 710171623 /nfs/dbraw/zinc/17/16/23/710171623.db2.gz BIPCXVMURGQDQP-JKSUJKDBSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001034523749 710171626 /nfs/dbraw/zinc/17/16/26/710171626.db2.gz BIPCXVMURGQDQP-JKSUJKDBSA-N 2 2 348.495 1.281 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)oc1C ZINC001034524549 710174063 /nfs/dbraw/zinc/17/40/63/710174063.db2.gz HIYTVTIJBVIWHR-JKSUJKDBSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)oc1C ZINC001034524549 710174064 /nfs/dbraw/zinc/17/40/64/710174064.db2.gz HIYTVTIJBVIWHR-JKSUJKDBSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)oc1C ZINC001034524549 710174066 /nfs/dbraw/zinc/17/40/66/710174066.db2.gz HIYTVTIJBVIWHR-JKSUJKDBSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)oc1C ZINC001034524549 710174067 /nfs/dbraw/zinc/17/40/67/710174067.db2.gz HIYTVTIJBVIWHR-JKSUJKDBSA-N 2 2 334.464 1.714 20 0 EDADLP CCOC1CC(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001034547540 710221982 /nfs/dbraw/zinc/22/19/82/710221982.db2.gz UEEVPPAPGLBZDX-AQFXKWCLSA-N 2 2 334.464 1.669 20 0 EDADLP CCOC1CC(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001034547540 710221983 /nfs/dbraw/zinc/22/19/83/710221983.db2.gz UEEVPPAPGLBZDX-AQFXKWCLSA-N 2 2 334.464 1.669 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC001032839758 710282579 /nfs/dbraw/zinc/28/25/79/710282579.db2.gz VNQLMCNLFKUPLZ-FHLIZLRMSA-N 2 2 349.450 1.534 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC001032839758 710282582 /nfs/dbraw/zinc/28/25/82/710282582.db2.gz VNQLMCNLFKUPLZ-FHLIZLRMSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001032839758 710282585 /nfs/dbraw/zinc/28/25/85/710282585.db2.gz VNQLMCNLFKUPLZ-FHLIZLRMSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001032839758 710282589 /nfs/dbraw/zinc/28/25/89/710282589.db2.gz VNQLMCNLFKUPLZ-FHLIZLRMSA-N 2 2 349.450 1.534 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC001003623477 710452987 /nfs/dbraw/zinc/45/29/87/710452987.db2.gz GHDULUKSQGERIB-AWEZNQCLSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC001003623477 710452989 /nfs/dbraw/zinc/45/29/89/710452989.db2.gz GHDULUKSQGERIB-AWEZNQCLSA-N 2 2 334.464 1.802 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)c(C)o1 ZINC001003627528 710457399 /nfs/dbraw/zinc/45/73/99/710457399.db2.gz FYLCSBISGBTEKJ-ZDUSSCGKSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)c(C)o1 ZINC001003627528 710457401 /nfs/dbraw/zinc/45/74/01/710457401.db2.gz FYLCSBISGBTEKJ-ZDUSSCGKSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003632639 710461313 /nfs/dbraw/zinc/46/13/13/710461313.db2.gz BIAPVNJIEDUAID-XJKSGUPXSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003632639 710461315 /nfs/dbraw/zinc/46/13/15/710461315.db2.gz BIAPVNJIEDUAID-XJKSGUPXSA-N 2 2 331.464 1.063 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001003633738 710461506 /nfs/dbraw/zinc/46/15/06/710461506.db2.gz HQPDMCCPKJNQBZ-CJNGLKHVSA-N 2 2 346.475 1.830 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001003633738 710461508 /nfs/dbraw/zinc/46/15/08/710461508.db2.gz HQPDMCCPKJNQBZ-CJNGLKHVSA-N 2 2 346.475 1.830 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCNC2=O)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001034671298 710603041 /nfs/dbraw/zinc/60/30/41/710603041.db2.gz MCXKFNBTDMVPAQ-UMVBOHGHSA-N 2 2 341.415 1.082 20 0 EDADLP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC001034744224 710937061 /nfs/dbraw/zinc/93/70/61/710937061.db2.gz OSFHYZMRVQSENJ-WKILWMFISA-N 2 2 327.432 1.873 20 0 EDADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001034776869 711054603 /nfs/dbraw/zinc/05/46/03/711054603.db2.gz JXDFAJNMJQIPPH-RBSFLKMASA-N 2 2 343.431 1.279 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC001034778343 711079608 /nfs/dbraw/zinc/07/96/08/711079608.db2.gz RHPMGMPNLJKQIG-YKTARERQSA-N 2 2 346.475 1.406 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)CC2)co1 ZINC001034785972 711088966 /nfs/dbraw/zinc/08/89/66/711088966.db2.gz FZDLSYVSJHMDIL-HDJSIYSDSA-N 2 2 331.420 1.774 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001034799175 711135605 /nfs/dbraw/zinc/13/56/05/711135605.db2.gz AVQDSOKHMXKMGA-HDJSIYSDSA-N 2 2 333.461 1.865 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)oc1C ZINC001003967289 711137756 /nfs/dbraw/zinc/13/77/56/711137756.db2.gz KYTKMBLITRMUSD-HNNXBMFYSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)oc1C ZINC001003967289 711137758 /nfs/dbraw/zinc/13/77/58/711137758.db2.gz KYTKMBLITRMUSD-HNNXBMFYSA-N 2 2 334.464 1.714 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003977927 711151960 /nfs/dbraw/zinc/15/19/60/711151960.db2.gz ZSZJSFLBAHPROA-HUUCEWRRSA-N 2 2 331.464 1.460 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003977927 711151964 /nfs/dbraw/zinc/15/19/64/711151964.db2.gz ZSZJSFLBAHPROA-HUUCEWRRSA-N 2 2 331.464 1.460 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001034956585 711426562 /nfs/dbraw/zinc/42/65/62/711426562.db2.gz BBIYVARPDPRYQW-CQSZACIVSA-N 2 2 348.495 1.493 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1)C1CC1 ZINC001034959117 711433457 /nfs/dbraw/zinc/43/34/57/711433457.db2.gz RVEPZGSAUQEPQB-ZBFHGGJFSA-N 2 2 347.463 1.368 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1)C1CC1 ZINC001034959849 711435801 /nfs/dbraw/zinc/43/58/01/711435801.db2.gz GNBRMVJGTIFDGZ-ZBFHGGJFSA-N 2 2 346.479 1.103 20 0 EDADLP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001004147447 711559424 /nfs/dbraw/zinc/55/94/24/711559424.db2.gz HORKMSTVTPZWAW-UHFFFAOYSA-N 2 2 332.448 1.728 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)C1 ZINC001004149203 711563378 /nfs/dbraw/zinc/56/33/78/711563378.db2.gz GARATFQNELQNPT-CQSZACIVSA-N 2 2 346.475 1.586 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)C1 ZINC001004149203 711563380 /nfs/dbraw/zinc/56/33/80/711563380.db2.gz GARATFQNELQNPT-CQSZACIVSA-N 2 2 346.475 1.586 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033125461 711875918 /nfs/dbraw/zinc/87/59/18/711875918.db2.gz FNTYNYVQDGFDMK-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033125461 711875919 /nfs/dbraw/zinc/87/59/19/711875919.db2.gz FNTYNYVQDGFDMK-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033125461 711875920 /nfs/dbraw/zinc/87/59/20/711875920.db2.gz FNTYNYVQDGFDMK-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033125461 711875921 /nfs/dbraw/zinc/87/59/21/711875921.db2.gz FNTYNYVQDGFDMK-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004582353 712015260 /nfs/dbraw/zinc/01/52/60/712015260.db2.gz VGIWIZBIMRVISZ-YOEHRIQHSA-N 2 2 334.464 1.690 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004582353 712015262 /nfs/dbraw/zinc/01/52/62/712015262.db2.gz VGIWIZBIMRVISZ-YOEHRIQHSA-N 2 2 334.464 1.690 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)c1c(F)cccc1F ZINC000115810379 282175995 /nfs/dbraw/zinc/17/59/95/282175995.db2.gz PXORZNHXWNKVRF-DOMZBBRYSA-N 2 2 340.418 1.961 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)c1c(F)cccc1F ZINC000115810379 282175998 /nfs/dbraw/zinc/17/59/98/282175998.db2.gz PXORZNHXWNKVRF-DOMZBBRYSA-N 2 2 340.418 1.961 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000359325408 282256417 /nfs/dbraw/zinc/25/64/17/282256417.db2.gz KUHRSKPXIUQDDE-USXIJHARSA-N 2 2 325.497 1.722 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000359325408 282256419 /nfs/dbraw/zinc/25/64/19/282256419.db2.gz KUHRSKPXIUQDDE-USXIJHARSA-N 2 2 325.497 1.722 20 0 EDADLP CC1(C)CCC[N@H+](CCNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000559854959 306259051 /nfs/dbraw/zinc/25/90/51/306259051.db2.gz OEOSKXKWAXAPRS-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC1(C)CCC[N@@H+](CCNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000559854959 306259052 /nfs/dbraw/zinc/25/90/52/306259052.db2.gz OEOSKXKWAXAPRS-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC1(C)CCC[NH+](CCNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000559854959 306259053 /nfs/dbraw/zinc/25/90/53/306259053.db2.gz OEOSKXKWAXAPRS-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC1(C)CCC[NH+](CCNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000559854959 306259054 /nfs/dbraw/zinc/25/90/54/306259054.db2.gz OEOSKXKWAXAPRS-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420351709 282356055 /nfs/dbraw/zinc/35/60/55/282356055.db2.gz KQASPABWYAWQPG-PKOBYXMFSA-N 2 2 333.476 1.676 20 0 EDADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420351709 282356056 /nfs/dbraw/zinc/35/60/56/282356056.db2.gz KQASPABWYAWQPG-PKOBYXMFSA-N 2 2 333.476 1.676 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560044598 306260543 /nfs/dbraw/zinc/26/05/43/306260543.db2.gz JZPJXPODASSNPL-GOEBONIOSA-N 2 2 332.448 1.642 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000178499363 232203367 /nfs/dbraw/zinc/20/33/67/232203367.db2.gz XWJFDCFUBMFBOR-HIFRSBDPSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@H+]1C ZINC000178499363 232203369 /nfs/dbraw/zinc/20/33/69/232203369.db2.gz XWJFDCFUBMFBOR-HIFRSBDPSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000247327919 299121528 /nfs/dbraw/zinc/12/15/28/299121528.db2.gz WRHGMAGOVNBZTH-LUKYLMHMSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000247327919 299121532 /nfs/dbraw/zinc/12/15/32/299121532.db2.gz WRHGMAGOVNBZTH-LUKYLMHMSA-N 2 2 338.496 1.221 20 0 EDADLP CC[C@H](C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)[NH+](CC)CC ZINC000434669863 305126870 /nfs/dbraw/zinc/12/68/70/305126870.db2.gz MZXFTMZSKJQDIP-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@H](C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)[NH+](CC)CC ZINC000434669863 305126871 /nfs/dbraw/zinc/12/68/71/305126871.db2.gz MZXFTMZSKJQDIP-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@H]([NH3+])CCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000434679443 305127254 /nfs/dbraw/zinc/12/72/54/305127254.db2.gz OWHAXEOTGBPGMC-VIFPVBQESA-N 2 2 325.210 1.840 20 0 EDADLP CN1CCC[C@H]([N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000560493606 306271617 /nfs/dbraw/zinc/27/16/17/306271617.db2.gz NJFJQVVSWIMOPG-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CN1CCC[C@H]([N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000560493606 306271618 /nfs/dbraw/zinc/27/16/18/306271618.db2.gz NJFJQVVSWIMOPG-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC[N@@H+](C2CC2)C1 ZINC000560539682 306273877 /nfs/dbraw/zinc/27/38/77/306273877.db2.gz IIMFIUZZXFOAHO-CJNGLKHVSA-N 2 2 331.464 1.997 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC[N@H+](C2CC2)C1 ZINC000560539682 306273878 /nfs/dbraw/zinc/27/38/78/306273878.db2.gz IIMFIUZZXFOAHO-CJNGLKHVSA-N 2 2 331.464 1.997 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000332833182 539608420 /nfs/dbraw/zinc/60/84/20/539608420.db2.gz HISSPOAKHGJYIB-RDJZCZTQSA-N 2 2 343.475 1.707 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000332833182 539608424 /nfs/dbraw/zinc/60/84/24/539608424.db2.gz HISSPOAKHGJYIB-RDJZCZTQSA-N 2 2 343.475 1.707 20 0 EDADLP COCC(COC)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000412437994 304008678 /nfs/dbraw/zinc/00/86/78/304008678.db2.gz RVLRSASDJZQGID-UHFFFAOYSA-N 2 2 349.475 1.167 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)C[C@@H](C)O1 ZINC000341880393 539754377 /nfs/dbraw/zinc/75/43/77/539754377.db2.gz VBOTYYWIANZNRS-SCQOQHIRSA-N 2 2 348.487 1.824 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3CCO)cc2n1C ZINC000562745890 306307518 /nfs/dbraw/zinc/30/75/18/306307518.db2.gz SJBDPRGDSBANLD-OAHLLOKOSA-N 2 2 330.432 1.458 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3CCCC[N@H+]3CCO)cc2n1C ZINC000562745890 306307519 /nfs/dbraw/zinc/30/75/19/306307519.db2.gz SJBDPRGDSBANLD-OAHLLOKOSA-N 2 2 330.432 1.458 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCN(C4CCOCC4)C3=O)n2c1 ZINC000157405834 539973964 /nfs/dbraw/zinc/97/39/64/539973964.db2.gz ALPDOJCOVXYJEC-INIZCTEOSA-N 2 2 328.416 1.512 20 0 EDADLP COC(=O)CCCc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000563153665 306320502 /nfs/dbraw/zinc/32/05/02/306320502.db2.gz DMNQSPSZCFEOEM-ZIAGYGMSSA-N 2 2 336.436 1.387 20 0 EDADLP COC(=O)CCCc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000563153665 306320503 /nfs/dbraw/zinc/32/05/03/306320503.db2.gz DMNQSPSZCFEOEM-ZIAGYGMSSA-N 2 2 336.436 1.387 20 0 EDADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000563211207 306323747 /nfs/dbraw/zinc/32/37/47/306323747.db2.gz RHRDVAASYWLEMG-IRXDYDNUSA-N 3 2 336.524 1.441 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000175669387 540098314 /nfs/dbraw/zinc/09/83/14/540098314.db2.gz HWLSNJTWOZWUDV-MRXNPFEDSA-N 2 2 330.476 1.652 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563353152 306329502 /nfs/dbraw/zinc/32/95/02/306329502.db2.gz MLDWLKGODCKXRD-GJZGRUSLSA-N 2 2 348.447 1.154 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563353152 306329503 /nfs/dbraw/zinc/32/95/03/306329503.db2.gz MLDWLKGODCKXRD-GJZGRUSLSA-N 2 2 348.447 1.154 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563459241 306334763 /nfs/dbraw/zinc/33/47/63/306334763.db2.gz WSJCPXPJTXGSEJ-CQDKDKBSSA-N 2 2 340.830 1.885 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563459241 306334764 /nfs/dbraw/zinc/33/47/64/306334764.db2.gz WSJCPXPJTXGSEJ-CQDKDKBSSA-N 2 2 340.830 1.885 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352900132 535331756 /nfs/dbraw/zinc/33/17/56/535331756.db2.gz MFIKRXGXEJWVLY-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352900132 535331758 /nfs/dbraw/zinc/33/17/58/535331758.db2.gz MFIKRXGXEJWVLY-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP COc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc2c1OCCO2 ZINC000076898665 138250183 /nfs/dbraw/zinc/25/01/83/138250183.db2.gz BKHOTNIMVLSUDU-CQSZACIVSA-N 2 2 336.432 1.667 20 0 EDADLP CCOC(=O)CC[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000089909279 138275881 /nfs/dbraw/zinc/27/58/81/138275881.db2.gz WFBHXYYTBFZSFB-CQSZACIVSA-N 2 2 342.484 1.043 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000372427588 283350233 /nfs/dbraw/zinc/35/02/33/283350233.db2.gz HEGGZRMFNCHVQU-QGZVFWFLSA-N 2 2 325.416 1.548 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000372427588 283350234 /nfs/dbraw/zinc/35/02/34/283350234.db2.gz HEGGZRMFNCHVQU-QGZVFWFLSA-N 2 2 325.416 1.548 20 0 EDADLP COCCc1noc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000173954563 237269475 /nfs/dbraw/zinc/26/94/75/237269475.db2.gz UDGAWHVPLXSMFF-UHFFFAOYSA-N 2 2 338.452 1.335 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497043462 299306526 /nfs/dbraw/zinc/30/65/26/299306526.db2.gz BXENXPBZUVGYIX-HOCLYGCPSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497043462 299306528 /nfs/dbraw/zinc/30/65/28/299306528.db2.gz BXENXPBZUVGYIX-HOCLYGCPSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@@H]1COCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000359979751 201122057 /nfs/dbraw/zinc/12/20/57/201122057.db2.gz UUFISWDMIJQZDE-INIZCTEOSA-N 2 2 347.459 1.426 20 0 EDADLP C[C@@H]1COCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000359979751 201122062 /nfs/dbraw/zinc/12/20/62/201122062.db2.gz UUFISWDMIJQZDE-INIZCTEOSA-N 2 2 347.459 1.426 20 0 EDADLP C[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000565945092 306395062 /nfs/dbraw/zinc/39/50/62/306395062.db2.gz NRCMUVKJSKQYCL-SWLSCSKDSA-N 2 2 329.441 1.176 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCCCN12 ZINC000566128444 306399206 /nfs/dbraw/zinc/39/92/06/306399206.db2.gz DCCDUYFDNKSPTL-GBESFXJTSA-N 2 2 343.471 1.149 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCCCN12 ZINC000566128444 306399207 /nfs/dbraw/zinc/39/92/07/306399207.db2.gz DCCDUYFDNKSPTL-GBESFXJTSA-N 2 2 343.471 1.149 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1Oc1ccccc1 ZINC000566130949 306399404 /nfs/dbraw/zinc/39/94/04/306399404.db2.gz FVFAHXJZNWVGOT-LULLPPNCSA-N 2 2 334.460 1.656 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1Oc1ccccc1 ZINC000566130949 306399405 /nfs/dbraw/zinc/39/94/05/306399405.db2.gz FVFAHXJZNWVGOT-LULLPPNCSA-N 2 2 334.460 1.656 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000566179380 306402103 /nfs/dbraw/zinc/40/21/03/306402103.db2.gz OLXDJNXXFAEUEF-CYBMUJFWSA-N 2 2 326.466 1.149 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)CC1 ZINC000414595498 304125286 /nfs/dbraw/zinc/12/52/86/304125286.db2.gz TUBOHOPSLMBUIO-FXAWDEMLSA-N 2 2 347.503 1.800 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H]([C@H](C)O)C2)CC1 ZINC000414595498 304125287 /nfs/dbraw/zinc/12/52/87/304125287.db2.gz TUBOHOPSLMBUIO-FXAWDEMLSA-N 2 2 347.503 1.800 20 0 EDADLP C[C@]1(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC[NH2+]C1 ZINC000261902843 291380826 /nfs/dbraw/zinc/38/08/26/291380826.db2.gz WLYNCNMAQVWMCZ-ICSRJNTNSA-N 2 2 342.487 1.409 20 0 EDADLP C[C@]1(CN2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)CC[NH2+]C1 ZINC000261902843 291380827 /nfs/dbraw/zinc/38/08/27/291380827.db2.gz WLYNCNMAQVWMCZ-ICSRJNTNSA-N 2 2 342.487 1.409 20 0 EDADLP [NH3+]CCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000566675991 306424471 /nfs/dbraw/zinc/42/44/71/306424471.db2.gz MSHWSQCDJZSQAM-UHFFFAOYSA-N 2 2 332.448 1.335 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000567146297 306439349 /nfs/dbraw/zinc/43/93/49/306439349.db2.gz CCUBLEHJTCBMMM-DLBZAZTESA-N 2 2 339.443 1.702 20 0 EDADLP [NH3+]CCc1nc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000194830098 139001048 /nfs/dbraw/zinc/00/10/48/139001048.db2.gz KVOVDFDTLINZQC-UHFFFAOYSA-N 2 2 346.456 1.729 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[nH+]c1 ZINC000105139179 204136676 /nfs/dbraw/zinc/13/66/76/204136676.db2.gz NWQOQNPDIUROJC-HZPDHXFCSA-N 2 2 349.479 1.600 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2c[nH+]ccc2OC)CC1=O ZINC000105323486 204144007 /nfs/dbraw/zinc/14/40/07/204144007.db2.gz JSVAAECMSPEHJY-ZIAGYGMSSA-N 2 2 346.431 1.362 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2c[nH+]ccc2OC)CC1=O ZINC000105323486 204144011 /nfs/dbraw/zinc/14/40/11/204144011.db2.gz JSVAAECMSPEHJY-ZIAGYGMSSA-N 2 2 346.431 1.362 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107873033 204250167 /nfs/dbraw/zinc/25/01/67/204250167.db2.gz PGKLURUHMIPPSE-AWEZNQCLSA-N 2 2 346.431 1.506 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCCOc2ccccc2)CC1 ZINC000109787040 204291262 /nfs/dbraw/zinc/29/12/62/204291262.db2.gz QXGIPXCSGCSUDA-UHFFFAOYSA-N 2 2 333.476 1.988 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCCOc2ccccc2)CC1 ZINC000109787040 204291266 /nfs/dbraw/zinc/29/12/66/204291266.db2.gz QXGIPXCSGCSUDA-UHFFFAOYSA-N 2 2 333.476 1.988 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC(=O)NCc1ccco1 ZINC000109794407 204294042 /nfs/dbraw/zinc/29/40/42/204294042.db2.gz GZNPHJFEJZBRNS-UHFFFAOYSA-N 2 2 331.376 1.139 20 0 EDADLP CC[NH+]1CCN(c2ccccc2NC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000127737902 205116287 /nfs/dbraw/zinc/11/62/87/205116287.db2.gz QWCFVJQDGBWKMG-UHFFFAOYSA-N 2 2 328.420 1.873 20 0 EDADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567427776 306451187 /nfs/dbraw/zinc/45/11/87/306451187.db2.gz YOUYVHVPNSHRKY-UHFFFAOYSA-N 2 2 341.459 1.969 20 0 EDADLP O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415184329 304172069 /nfs/dbraw/zinc/17/20/69/304172069.db2.gz JTQJDOXRROABME-MLGOLLRUSA-N 2 2 328.372 1.576 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000129915676 205215847 /nfs/dbraw/zinc/21/58/47/205215847.db2.gz OOSGLBQGXNYGLS-YCPHGPKFSA-N 2 2 339.505 1.755 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000129915676 205215852 /nfs/dbraw/zinc/21/58/52/205215852.db2.gz OOSGLBQGXNYGLS-YCPHGPKFSA-N 2 2 339.505 1.755 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C[NH3+])cc3)c[nH+]2)CCO1 ZINC000237663318 139057336 /nfs/dbraw/zinc/05/73/36/139057336.db2.gz XNBOBZRYLLRXEM-AWEZNQCLSA-N 2 2 340.427 1.695 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)cs1 ZINC000237722704 139058656 /nfs/dbraw/zinc/05/86/56/139058656.db2.gz SCJDXEZZCQNXBI-STQMWFEESA-N 2 2 336.505 1.872 20 0 EDADLP [NH3+][C@@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000237889463 139062833 /nfs/dbraw/zinc/06/28/33/139062833.db2.gz RFAFRLUDADVQRY-WMZOPIPTSA-N 2 2 349.500 1.401 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000237828403 139061431 /nfs/dbraw/zinc/06/14/31/139061431.db2.gz GTHFVPNKOCHMLN-KRWDZBQOSA-N 2 2 334.439 1.206 20 0 EDADLP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000237941513 139064636 /nfs/dbraw/zinc/06/46/36/139064636.db2.gz JOEVKDZODPRLPD-NVXWUHKLSA-N 2 2 347.459 1.141 20 0 EDADLP [NH3+]Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000237981746 139065737 /nfs/dbraw/zinc/06/57/37/139065737.db2.gz IVZIGGWSLASUTR-IBGZPJMESA-N 2 2 339.439 1.949 20 0 EDADLP [NH3+]Cc1nc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000238025549 139066906 /nfs/dbraw/zinc/06/69/06/139066906.db2.gz YDLUUYMADIVMFJ-UHFFFAOYSA-N 2 2 330.457 1.602 20 0 EDADLP C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000245573944 139079896 /nfs/dbraw/zinc/07/98/96/139079896.db2.gz AJNFGOPRKCCXSK-OWCLPIDISA-N 2 2 340.493 1.438 20 0 EDADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000245573944 139079897 /nfs/dbraw/zinc/07/98/97/139079897.db2.gz AJNFGOPRKCCXSK-OWCLPIDISA-N 2 2 340.493 1.438 20 0 EDADLP C[C@@H]1[C@H](C)OCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000156064514 206052994 /nfs/dbraw/zinc/05/29/94/206052994.db2.gz YWRBXVPOOHPLLU-CVEARBPZSA-N 2 2 332.448 1.230 20 0 EDADLP C[C@@H]1[C@H](C)OCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000156064514 206052998 /nfs/dbraw/zinc/05/29/98/206052998.db2.gz YWRBXVPOOHPLLU-CVEARBPZSA-N 2 2 332.448 1.230 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813669 206210914 /nfs/dbraw/zinc/21/09/14/206210914.db2.gz NAZUJBDRVRKKKA-MJGOQNOKSA-N 3 2 346.519 1.679 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813669 206210918 /nfs/dbraw/zinc/21/09/18/206210918.db2.gz NAZUJBDRVRKKKA-MJGOQNOKSA-N 3 2 346.519 1.679 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813669 206210921 /nfs/dbraw/zinc/21/09/21/206210921.db2.gz NAZUJBDRVRKKKA-MJGOQNOKSA-N 3 2 346.519 1.679 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813669 206210926 /nfs/dbraw/zinc/21/09/26/206210926.db2.gz NAZUJBDRVRKKKA-MJGOQNOKSA-N 3 2 346.519 1.679 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccccn1 ZINC000158595726 206199263 /nfs/dbraw/zinc/19/92/63/206199263.db2.gz VREOOSGLZBVPRK-MRXNPFEDSA-N 2 2 326.448 1.735 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159128404 206227037 /nfs/dbraw/zinc/22/70/37/206227037.db2.gz GCMJTMGMXXZBQX-INIZCTEOSA-N 2 2 333.480 1.639 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159138761 206228358 /nfs/dbraw/zinc/22/83/58/206228358.db2.gz UUECMOIKUQJJFT-QGZVFWFLSA-N 2 2 345.491 1.783 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)c1 ZINC000246109683 139095211 /nfs/dbraw/zinc/09/52/11/139095211.db2.gz BWXQMHMSQXYRLL-KSSFIOAISA-N 2 2 347.459 1.693 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)c1 ZINC000246109683 139095212 /nfs/dbraw/zinc/09/52/12/139095212.db2.gz BWXQMHMSQXYRLL-KSSFIOAISA-N 2 2 347.459 1.693 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246155261 139097027 /nfs/dbraw/zinc/09/70/27/139097027.db2.gz PQFQQGPBVOJHTF-INMHGKMJSA-N 2 2 349.479 1.190 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246580437 139113774 /nfs/dbraw/zinc/11/37/74/139113774.db2.gz HVIHRBYDPRCGHN-IRXDYDNUSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246580437 139113775 /nfs/dbraw/zinc/11/37/75/139113775.db2.gz HVIHRBYDPRCGHN-IRXDYDNUSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000568175187 306474778 /nfs/dbraw/zinc/47/47/78/306474778.db2.gz VEJTZMLGYJUUGR-MRXNPFEDSA-N 2 2 339.524 1.848 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000247144731 139137357 /nfs/dbraw/zinc/13/73/57/139137357.db2.gz LGMODTHDSIWDEF-ARFHVFGLSA-N 2 2 334.464 1.766 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000247144731 139137358 /nfs/dbraw/zinc/13/73/58/139137358.db2.gz LGMODTHDSIWDEF-ARFHVFGLSA-N 2 2 334.464 1.766 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCSCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654055404 452223988 /nfs/dbraw/zinc/22/39/88/452223988.db2.gz CMFQCLIXBIYLGU-APIJFGDWSA-N 2 2 329.510 1.038 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCSCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654055404 452223993 /nfs/dbraw/zinc/22/39/93/452223993.db2.gz CMFQCLIXBIYLGU-APIJFGDWSA-N 2 2 329.510 1.038 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)cc1)C1CC1 ZINC000351702683 250062870 /nfs/dbraw/zinc/06/28/70/250062870.db2.gz KBDGPZPFYQTAPO-OALUTQOASA-N 2 2 343.471 1.826 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)cc1)C1CC1 ZINC000351702683 250062872 /nfs/dbraw/zinc/06/28/72/250062872.db2.gz KBDGPZPFYQTAPO-OALUTQOASA-N 2 2 343.471 1.826 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1)C1CC1 ZINC000351702683 250062875 /nfs/dbraw/zinc/06/28/75/250062875.db2.gz KBDGPZPFYQTAPO-OALUTQOASA-N 2 2 343.471 1.826 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1)C1CC1 ZINC000351702683 250062878 /nfs/dbraw/zinc/06/28/78/250062878.db2.gz KBDGPZPFYQTAPO-OALUTQOASA-N 2 2 343.471 1.826 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261675873 139216581 /nfs/dbraw/zinc/21/65/81/139216581.db2.gz CXRNRQBGSJMKAP-AWEZNQCLSA-N 2 2 337.221 1.971 20 0 EDADLP COc1cc(C(=O)N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)ccc1C ZINC000261693417 139218155 /nfs/dbraw/zinc/21/81/55/139218155.db2.gz BLATXHAXWBYIOZ-IBGZPJMESA-N 2 2 331.460 1.761 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000261887416 139234134 /nfs/dbraw/zinc/23/41/34/139234134.db2.gz VDVGRMHIDNYPDF-OAHLLOKOSA-N 2 2 345.365 1.872 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000261887416 139234135 /nfs/dbraw/zinc/23/41/35/139234135.db2.gz VDVGRMHIDNYPDF-OAHLLOKOSA-N 2 2 345.365 1.872 20 0 EDADLP [NH3+][C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000261901846 139235428 /nfs/dbraw/zinc/23/54/28/139235428.db2.gz WPHGTGLRRAHENO-QGZVFWFLSA-N 2 2 333.432 1.211 20 0 EDADLP [NH3+][C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CCOCC1 ZINC000261906746 139235735 /nfs/dbraw/zinc/23/57/35/139235735.db2.gz XBJXCWKVUMKPIZ-KRWDZBQOSA-N 2 2 332.448 1.442 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262078819 139249101 /nfs/dbraw/zinc/24/91/01/139249101.db2.gz QFTIPZVANKVXMT-ILXRZTDVSA-N 2 2 343.830 1.704 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])COC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262078819 139249102 /nfs/dbraw/zinc/24/91/02/139249102.db2.gz QFTIPZVANKVXMT-ILXRZTDVSA-N 2 2 343.830 1.704 20 0 EDADLP O=C(COC1C[NH2+]C1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000569240630 306501167 /nfs/dbraw/zinc/50/11/67/306501167.db2.gz CMBVKMWFRRUIIE-UHFFFAOYSA-N 2 2 328.416 1.332 20 0 EDADLP Cn1c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc21 ZINC000262109362 139251530 /nfs/dbraw/zinc/25/15/30/139251530.db2.gz WHPJHSMATOFOHY-CQSZACIVSA-N 2 2 329.448 1.393 20 0 EDADLP Cn1c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc21 ZINC000262109362 139251531 /nfs/dbraw/zinc/25/15/31/139251531.db2.gz WHPJHSMATOFOHY-CQSZACIVSA-N 2 2 329.448 1.393 20 0 EDADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174657662 207041841 /nfs/dbraw/zinc/04/18/41/207041841.db2.gz UCLTUXHRPZTDHL-KRWDZBQOSA-N 2 2 335.448 1.676 20 0 EDADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174657662 207041844 /nfs/dbraw/zinc/04/18/44/207041844.db2.gz UCLTUXHRPZTDHL-KRWDZBQOSA-N 2 2 335.448 1.676 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)cc1 ZINC000262230966 139262073 /nfs/dbraw/zinc/26/20/73/139262073.db2.gz NVLPVQVEPAOENL-UHFFFAOYSA-N 2 2 331.420 1.245 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000175264500 207110538 /nfs/dbraw/zinc/11/05/38/207110538.db2.gz ZPLXJPZBRIMVOU-MRXNPFEDSA-N 3 2 339.528 1.044 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000175264500 207110542 /nfs/dbraw/zinc/11/05/42/207110542.db2.gz ZPLXJPZBRIMVOU-MRXNPFEDSA-N 3 2 339.528 1.044 20 0 EDADLP O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262286686 139266754 /nfs/dbraw/zinc/26/67/54/139266754.db2.gz OJBRSJKPFNBSQL-AWEZNQCLSA-N 2 2 328.420 1.091 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NCCCC[NH3+])[NH+]2CCOCC2)c1 ZINC000416993081 251121820 /nfs/dbraw/zinc/12/18/20/251121820.db2.gz IFAXCQVEIBOQSG-KRWDZBQOSA-N 2 2 334.464 1.406 20 0 EDADLP [NH3+]CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000416991975 251121440 /nfs/dbraw/zinc/12/14/40/251121440.db2.gz HDGFFBYXXFUOQN-CYBMUJFWSA-N 2 2 328.819 1.874 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])c[nH+]2)CCO1 ZINC000416990233 251119527 /nfs/dbraw/zinc/11/95/27/251119527.db2.gz PFTUEUIOSIYTCC-CQSZACIVSA-N 2 2 349.479 1.433 20 0 EDADLP CCc1cnc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000175438643 207128601 /nfs/dbraw/zinc/12/86/01/207128601.db2.gz DYSHRWPKUYUEAD-UHFFFAOYSA-N 2 2 325.482 1.853 20 0 EDADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262375470 139274226 /nfs/dbraw/zinc/27/42/26/139274226.db2.gz WNLDIDNAROWTBZ-UHFFFAOYSA-N 2 2 328.420 1.091 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1c(F)cccc1F ZINC000417665358 251219548 /nfs/dbraw/zinc/21/95/48/251219548.db2.gz YOJBVWNQOHRLQO-LALPHHSUSA-N 2 2 340.418 1.994 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[NH+]2CCOCC2)c1 ZINC000262409668 139277107 /nfs/dbraw/zinc/27/71/07/139277107.db2.gz PAVFESISDIBMDL-WDSOQIARSA-N 2 2 345.487 1.873 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000176019109 207183076 /nfs/dbraw/zinc/18/30/76/207183076.db2.gz HBTOBROKGXTROZ-CQSZACIVSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000176019109 207183081 /nfs/dbraw/zinc/18/30/81/207183081.db2.gz HBTOBROKGXTROZ-CQSZACIVSA-N 2 2 328.501 1.373 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417837207 251292485 /nfs/dbraw/zinc/29/24/85/251292485.db2.gz HUMFJLOPQAERGS-HNNXBMFYSA-N 2 2 329.448 1.781 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417785463 251269681 /nfs/dbraw/zinc/26/96/81/251269681.db2.gz CXFSDNMUHMWUGW-LSDHHAIUSA-N 2 2 344.450 1.795 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417785463 251269686 /nfs/dbraw/zinc/26/96/86/251269686.db2.gz CXFSDNMUHMWUGW-LSDHHAIUSA-N 2 2 344.450 1.795 20 0 EDADLP C[C@H]1C[N@@H+]([C@H](CNC(=O)NCCCC[NH3+])c2cccs2)CCO1 ZINC000417814796 251280565 /nfs/dbraw/zinc/28/05/65/251280565.db2.gz HTCMKQLXLWGUFJ-UONOGXRCSA-N 2 2 340.493 1.548 20 0 EDADLP C[C@H]1C[N@H+]([C@H](CNC(=O)NCCCC[NH3+])c2cccs2)CCO1 ZINC000417814796 251280570 /nfs/dbraw/zinc/28/05/70/251280570.db2.gz HTCMKQLXLWGUFJ-UONOGXRCSA-N 2 2 340.493 1.548 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418724101 251399236 /nfs/dbraw/zinc/39/92/36/251399236.db2.gz JPDKQWMGNLTBLM-CYBMUJFWSA-N 2 2 341.406 1.818 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2)c1 ZINC000418703855 251388830 /nfs/dbraw/zinc/38/88/30/251388830.db2.gz QYQUHZKZYDJIOP-ILXRZTDVSA-N 2 2 334.464 1.819 20 0 EDADLP COc1ccc(CCNC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1OC ZINC000420356539 251697737 /nfs/dbraw/zinc/69/77/37/251697737.db2.gz CTKAFRPCDRPTQQ-BIENJYKASA-N 2 2 349.475 1.339 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422880113 252010666 /nfs/dbraw/zinc/01/06/66/252010666.db2.gz NFQVWTWGZYMAGD-TXPKVOOTSA-N 2 2 344.459 1.752 20 0 EDADLP Cc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c(N2CCOCC2)c1 ZINC000422861389 252003747 /nfs/dbraw/zinc/00/37/47/252003747.db2.gz JIKUUQLXFBMPNW-AEFFLSMTSA-N 2 2 333.476 1.688 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)CC[NH2+]CC1 ZINC000423005854 252024468 /nfs/dbraw/zinc/02/44/68/252024468.db2.gz NFQXOJLIRCHYSU-HZPDHXFCSA-N 3 2 348.491 1.980 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000423008020 252026361 /nfs/dbraw/zinc/02/63/61/252026361.db2.gz ZCQBACHSQXVZQH-JHJVBQTASA-N 2 2 332.491 1.003 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074708 252035394 /nfs/dbraw/zinc/03/53/94/252035394.db2.gz MQLBWVOIWXAUOY-MRVWCRGKSA-N 2 2 346.393 1.612 20 0 EDADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423513191 252058550 /nfs/dbraw/zinc/05/85/50/252058550.db2.gz QWWQMHHHNYTECT-CMTQZCSUSA-N 3 2 330.520 1.751 20 0 EDADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423513191 252058553 /nfs/dbraw/zinc/05/85/53/252058553.db2.gz QWWQMHHHNYTECT-CMTQZCSUSA-N 3 2 330.520 1.751 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423736707 252067067 /nfs/dbraw/zinc/06/70/67/252067067.db2.gz DGGGQLUBODBTQU-UHFFFAOYSA-N 2 2 333.480 1.364 20 0 EDADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000422912456 252019921 /nfs/dbraw/zinc/01/99/21/252019921.db2.gz WDYFJYNFHWJYIM-AEFFLSMTSA-N 3 2 338.540 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2OC)C[C@H]1[NH+]1CCOCC1 ZINC000423872051 252101812 /nfs/dbraw/zinc/10/18/12/252101812.db2.gz KOBJHGUEIONAIV-QGPMSJSTSA-N 2 2 347.459 1.264 20 0 EDADLP Cc1nsc(N2CC[NH+](C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)n1 ZINC000424280421 252189665 /nfs/dbraw/zinc/18/96/65/252189665.db2.gz HJDLXCZTEXFXMX-CQSZACIVSA-N 2 2 335.452 1.850 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000424337920 252198272 /nfs/dbraw/zinc/19/82/72/252198272.db2.gz STLOBCUXIWUYMD-ZIAGYGMSSA-N 2 2 327.450 1.424 20 0 EDADLP O=C(C1C[NH2+]C1)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000263290681 139333629 /nfs/dbraw/zinc/33/36/29/139333629.db2.gz LKTRTYIVBUZSPB-UHFFFAOYSA-N 2 2 347.850 1.241 20 0 EDADLP O=C(C1C[NH2+]C1)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000263290681 139333630 /nfs/dbraw/zinc/33/36/30/139333630.db2.gz LKTRTYIVBUZSPB-UHFFFAOYSA-N 2 2 347.850 1.241 20 0 EDADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263307448 139334739 /nfs/dbraw/zinc/33/47/39/139334739.db2.gz YATVXJSOCJBSEM-QAPCUYQASA-N 2 2 343.427 1.339 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000415704215 304259976 /nfs/dbraw/zinc/25/99/76/304259976.db2.gz GKOBFQMMZJCYKQ-AWEZNQCLSA-N 2 2 340.383 1.032 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000430557904 254512693 /nfs/dbraw/zinc/51/26/93/254512693.db2.gz UQOUYMZZSKTISL-HNNXBMFYSA-N 2 2 346.431 1.156 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000430557904 254512695 /nfs/dbraw/zinc/51/26/95/254512695.db2.gz UQOUYMZZSKTISL-HNNXBMFYSA-N 2 2 346.431 1.156 20 0 EDADLP C[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+](C)CC1 ZINC000263740836 139356992 /nfs/dbraw/zinc/35/69/92/139356992.db2.gz IJGPDZWUHRMZFC-INIZCTEOSA-N 2 2 341.459 1.297 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000493650382 255218566 /nfs/dbraw/zinc/21/85/66/255218566.db2.gz JXGMZCSHJJEDLE-WLMCBFPDSA-N 2 2 332.448 1.485 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000493650382 255218567 /nfs/dbraw/zinc/21/85/67/255218567.db2.gz JXGMZCSHJJEDLE-WLMCBFPDSA-N 2 2 332.448 1.485 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000493097824 255190899 /nfs/dbraw/zinc/19/08/99/255190899.db2.gz YGPZYWPQEFMLRP-AATRIKPKSA-N 2 2 326.400 1.572 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@]3(C)CCO[C@@H]3C)CC2)c1 ZINC000494234067 255242994 /nfs/dbraw/zinc/24/29/94/255242994.db2.gz MYAUJKHIEBNGEP-YLJYHZDGSA-N 2 2 345.487 1.796 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495852377 255331682 /nfs/dbraw/zinc/33/16/82/255331682.db2.gz WJDUFHUYVGEFPN-HUUCEWRRSA-N 2 2 327.469 1.383 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495852377 255331683 /nfs/dbraw/zinc/33/16/83/255331683.db2.gz WJDUFHUYVGEFPN-HUUCEWRRSA-N 2 2 327.469 1.383 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000495852377 255331684 /nfs/dbraw/zinc/33/16/84/255331684.db2.gz WJDUFHUYVGEFPN-HUUCEWRRSA-N 2 2 327.469 1.383 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000495852377 255331685 /nfs/dbraw/zinc/33/16/85/255331685.db2.gz WJDUFHUYVGEFPN-HUUCEWRRSA-N 2 2 327.469 1.383 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264185759 139385183 /nfs/dbraw/zinc/38/51/83/139385183.db2.gz PBLGPMJHEVGTIL-SJLPKXTDSA-N 2 2 341.459 1.377 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cs1 ZINC000264301011 139395120 /nfs/dbraw/zinc/39/51/20/139395120.db2.gz UBCPOXPEHJKLHG-UHFFFAOYSA-N 2 2 333.461 1.773 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cs1 ZINC000264301011 139395121 /nfs/dbraw/zinc/39/51/21/139395121.db2.gz UBCPOXPEHJKLHG-UHFFFAOYSA-N 2 2 333.461 1.773 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H]2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000571277424 306560646 /nfs/dbraw/zinc/56/06/46/306560646.db2.gz HLTQBUNYYCNEOU-WCXIOVBPSA-N 2 2 326.481 1.395 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCc3ccccc3C2)CC1 ZINC000267313510 139598130 /nfs/dbraw/zinc/59/81/30/139598130.db2.gz MOMOVQSPDKWLTA-SFHVURJKSA-N 2 2 344.503 1.869 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)C[C@@H]21 ZINC000416244278 304300156 /nfs/dbraw/zinc/30/01/56/304300156.db2.gz QCCFWWGQYRDSQG-RBUKOAKNSA-N 2 2 343.471 1.366 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)C[C@@H]21 ZINC000416244278 304300158 /nfs/dbraw/zinc/30/01/58/304300158.db2.gz QCCFWWGQYRDSQG-RBUKOAKNSA-N 2 2 343.471 1.366 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000416244278 304300160 /nfs/dbraw/zinc/30/01/60/304300160.db2.gz QCCFWWGQYRDSQG-RBUKOAKNSA-N 2 2 343.471 1.366 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000416244278 304300161 /nfs/dbraw/zinc/30/01/61/304300161.db2.gz QCCFWWGQYRDSQG-RBUKOAKNSA-N 2 2 343.471 1.366 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCSC1 ZINC000270371336 140088016 /nfs/dbraw/zinc/08/80/16/140088016.db2.gz SNSVIVYLNBKAII-KRWDZBQOSA-N 2 2 333.501 1.768 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCSC1 ZINC000270371336 140088017 /nfs/dbraw/zinc/08/80/17/140088017.db2.gz SNSVIVYLNBKAII-KRWDZBQOSA-N 2 2 333.501 1.768 20 0 EDADLP C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC000271002252 140218180 /nfs/dbraw/zinc/21/81/80/140218180.db2.gz GHPHEIJDCZPLRU-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC000271002252 140218181 /nfs/dbraw/zinc/21/81/81/140218181.db2.gz GHPHEIJDCZPLRU-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP COC(=O)CNC(=O)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000271513160 140305437 /nfs/dbraw/zinc/30/54/37/140305437.db2.gz FUFUSSGRHNKWJG-UHFFFAOYSA-N 2 2 335.448 1.166 20 0 EDADLP COC(=O)CNC(=O)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000271513160 140305439 /nfs/dbraw/zinc/30/54/39/140305439.db2.gz FUFUSSGRHNKWJG-UHFFFAOYSA-N 2 2 335.448 1.166 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCCC[NH+]3CCCCC3)ccc2[nH+]1 ZINC000271521345 140306363 /nfs/dbraw/zinc/30/63/63/140306363.db2.gz CODAMLKJRVREDT-UHFFFAOYSA-N 2 2 343.431 1.573 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@H+]3CCC[C@@H](C)C3)ccc2[nH+]1 ZINC000271534391 140308440 /nfs/dbraw/zinc/30/84/40/140308440.db2.gz GMPYTTKLAVBUCB-CYBMUJFWSA-N 2 2 343.431 1.429 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)ccc2[nH+]1 ZINC000271534391 140308442 /nfs/dbraw/zinc/30/84/42/140308442.db2.gz GMPYTTKLAVBUCB-CYBMUJFWSA-N 2 2 343.431 1.429 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@@H]3CCC[N@@H+]3C)n2)c1C ZINC000331432476 141025804 /nfs/dbraw/zinc/02/58/04/141025804.db2.gz MIWZKQCWCKYYDT-AWEZNQCLSA-N 2 2 344.419 1.380 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@@H]3CCC[N@H+]3C)n2)c1C ZINC000331432476 141025805 /nfs/dbraw/zinc/02/58/05/141025805.db2.gz MIWZKQCWCKYYDT-AWEZNQCLSA-N 2 2 344.419 1.380 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000331866924 141091209 /nfs/dbraw/zinc/09/12/09/141091209.db2.gz LQJZSODCVCVEGB-UHFFFAOYSA-N 2 2 348.491 1.386 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000331904021 141096130 /nfs/dbraw/zinc/09/61/30/141096130.db2.gz MCKSZVZIHROLRW-JKSUJKDBSA-N 2 2 342.443 1.708 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1 ZINC000331904021 141096132 /nfs/dbraw/zinc/09/61/32/141096132.db2.gz MCKSZVZIHROLRW-JKSUJKDBSA-N 2 2 342.443 1.708 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@@H+]1CCc2ccccc2C1 ZINC000331963345 141103687 /nfs/dbraw/zinc/10/36/87/141103687.db2.gz BFOHHFVEIZESGW-LPHOPBHVSA-N 2 2 345.487 1.396 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@H+]1CCc2ccccc2C1 ZINC000331963345 141103688 /nfs/dbraw/zinc/10/36/88/141103688.db2.gz BFOHHFVEIZESGW-LPHOPBHVSA-N 2 2 345.487 1.396 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCc2ccccc2C1 ZINC000331963345 141103689 /nfs/dbraw/zinc/10/36/89/141103689.db2.gz BFOHHFVEIZESGW-LPHOPBHVSA-N 2 2 345.487 1.396 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCc2ccccc2C1 ZINC000331963345 141103690 /nfs/dbraw/zinc/10/36/90/141103690.db2.gz BFOHHFVEIZESGW-LPHOPBHVSA-N 2 2 345.487 1.396 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000332065966 141117301 /nfs/dbraw/zinc/11/73/01/141117301.db2.gz SSHVJPRDLIPDGJ-LSDHHAIUSA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000332065966 141117302 /nfs/dbraw/zinc/11/73/02/141117302.db2.gz SSHVJPRDLIPDGJ-LSDHHAIUSA-N 2 2 344.459 1.648 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000332559066 141203171 /nfs/dbraw/zinc/20/31/71/141203171.db2.gz VCXWXKUUZXUZBU-NUJGCVRESA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000332559066 141203172 /nfs/dbraw/zinc/20/31/72/141203172.db2.gz VCXWXKUUZXUZBU-NUJGCVRESA-N 2 2 345.491 1.953 20 0 EDADLP Cc1nn(C)cc1[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000332578071 141207210 /nfs/dbraw/zinc/20/72/10/141207210.db2.gz ZRSNPUPVFGNMOX-ZDUSSCGKSA-N 2 2 336.484 1.115 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333141285 141271086 /nfs/dbraw/zinc/27/10/86/141271086.db2.gz DBVIPOQAWMGHNB-BRWVUGGUSA-N 2 2 343.475 1.691 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)n2)C1 ZINC000333159806 141273865 /nfs/dbraw/zinc/27/38/65/141273865.db2.gz NRSJCZKYDDPLRZ-SCUASFONSA-N 2 2 335.477 1.714 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)n2)C1 ZINC000333159806 141273866 /nfs/dbraw/zinc/27/38/66/141273866.db2.gz NRSJCZKYDDPLRZ-SCUASFONSA-N 2 2 335.477 1.714 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nnc4n3CCOC4)C1)CCCC2 ZINC000333312287 141297296 /nfs/dbraw/zinc/29/72/96/141297296.db2.gz VMOQGUAJQSBFPV-CQSZACIVSA-N 2 2 342.447 1.639 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nnc4n3CCOC4)C1)CCCC2 ZINC000333312287 141297298 /nfs/dbraw/zinc/29/72/98/141297298.db2.gz VMOQGUAJQSBFPV-CQSZACIVSA-N 2 2 342.447 1.639 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000333323841 141299392 /nfs/dbraw/zinc/29/93/92/141299392.db2.gz XJQGRTTWSYMTGX-GOEBONIOSA-N 2 2 347.463 1.082 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000333365680 141306171 /nfs/dbraw/zinc/30/61/71/141306171.db2.gz LTVYWKGUNZNSAZ-ZMSDIMECSA-N 2 2 338.496 1.269 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)s1 ZINC000333630816 141347581 /nfs/dbraw/zinc/34/75/81/141347581.db2.gz GPCBNEMJVJHDTM-IUODEOHRSA-N 2 2 337.493 1.419 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CCC4(CC[NH2+]C4)CC3)cn21 ZINC000333708694 141362931 /nfs/dbraw/zinc/36/29/31/141362931.db2.gz FDSSVJGWWWYJSO-UHFFFAOYSA-N 2 2 327.432 1.928 20 0 EDADLP CN1CCN(c2cc(NC3CCC([NH+](C)C)CC3)[nH+]cn2)CC1=O ZINC000333731788 141368110 /nfs/dbraw/zinc/36/81/10/141368110.db2.gz WGJSLXAVFXZZEX-UHFFFAOYSA-N 2 2 332.452 1.040 20 0 EDADLP CN1CCN(c2cc(NC3CCC([NH+](C)C)CC3)nc[nH+]2)CC1=O ZINC000333731788 141368111 /nfs/dbraw/zinc/36/81/11/141368111.db2.gz WGJSLXAVFXZZEX-UHFFFAOYSA-N 2 2 332.452 1.040 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339526273 142066176 /nfs/dbraw/zinc/06/61/76/142066176.db2.gz CJYSSBZGHRLBLS-MRXNPFEDSA-N 2 2 349.479 1.160 20 0 EDADLP C[C@@H](CO)[N@@H+]1CCCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000345042124 143042691 /nfs/dbraw/zinc/04/26/91/143042691.db2.gz XZWZNNLOJVJWLB-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H](CO)[N@H+]1CCCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000345042124 143042692 /nfs/dbraw/zinc/04/26/92/143042692.db2.gz XZWZNNLOJVJWLB-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+](CC)CC ZINC000345261127 143070774 /nfs/dbraw/zinc/07/07/74/143070774.db2.gz MJFKMVRFUCPYRC-QGZVFWFLSA-N 2 2 335.496 1.575 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+](CC)CC ZINC000345261127 143070775 /nfs/dbraw/zinc/07/07/75/143070775.db2.gz MJFKMVRFUCPYRC-QGZVFWFLSA-N 2 2 335.496 1.575 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc2)CC1 ZINC000345750968 143128865 /nfs/dbraw/zinc/12/88/65/143128865.db2.gz BVDRCOFVFDNJOO-HNNXBMFYSA-N 2 2 340.418 1.745 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)NCc1ccco1 ZINC000346129499 143170770 /nfs/dbraw/zinc/17/07/70/143170770.db2.gz FVKLMQDGRLNKBD-UHFFFAOYSA-N 2 2 328.416 1.545 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000346139794 143171562 /nfs/dbraw/zinc/17/15/62/143171562.db2.gz OVZAOPWFKQYFDC-HUUCEWRRSA-N 2 2 336.455 1.403 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000346174513 143175042 /nfs/dbraw/zinc/17/50/42/143175042.db2.gz BEFCEIKUXYRMPH-HUUCEWRRSA-N 2 2 347.507 1.554 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C ZINC000346177791 143175676 /nfs/dbraw/zinc/17/56/76/143175676.db2.gz AEFYPRQFESBDOT-DLBZAZTESA-N 2 2 348.491 1.338 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C ZINC000346177791 143175677 /nfs/dbraw/zinc/17/56/77/143175677.db2.gz AEFYPRQFESBDOT-DLBZAZTESA-N 2 2 348.491 1.338 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)NCc1ccco1 ZINC000346227432 143180932 /nfs/dbraw/zinc/18/09/32/143180932.db2.gz YYGDFYSZWRNAQI-UHFFFAOYSA-N 2 2 328.416 1.545 20 0 EDADLP COC(C)(C)CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000346274875 143186091 /nfs/dbraw/zinc/18/60/91/143186091.db2.gz JKYPKUSWNLZUAY-UHFFFAOYSA-N 2 2 349.479 1.250 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCc2cn3ccc(C)cc3[nH+]2)[N@H+](C)C1 ZINC000346733697 143239422 /nfs/dbraw/zinc/23/94/22/143239422.db2.gz UVNCPXBWXQZTSY-CVEARBPZSA-N 2 2 345.447 1.503 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCc2cn3ccc(C)cc3[nH+]2)[N@@H+](C)C1 ZINC000346733697 143239423 /nfs/dbraw/zinc/23/94/23/143239423.db2.gz UVNCPXBWXQZTSY-CVEARBPZSA-N 2 2 345.447 1.503 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000346839407 143250654 /nfs/dbraw/zinc/25/06/54/143250654.db2.gz SPYWMGAQIXIZCU-BBWFWOEESA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000346839407 143250655 /nfs/dbraw/zinc/25/06/55/143250655.db2.gz SPYWMGAQIXIZCU-BBWFWOEESA-N 2 2 346.537 1.680 20 0 EDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000347017443 143272094 /nfs/dbraw/zinc/27/20/94/143272094.db2.gz DPFOWPDJQDLDNR-CYBMUJFWSA-N 3 2 333.461 1.221 20 0 EDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000347017443 143272095 /nfs/dbraw/zinc/27/20/95/143272095.db2.gz DPFOWPDJQDLDNR-CYBMUJFWSA-N 3 2 333.461 1.221 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000369751893 155161837 /nfs/dbraw/zinc/16/18/37/155161837.db2.gz AZHLUQQAYSBTNJ-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CCOc1c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)nn1CC(C)C ZINC000352720502 149128947 /nfs/dbraw/zinc/12/89/47/149128947.db2.gz OFMRPJUALYVSTJ-QGZVFWFLSA-N 2 2 349.523 1.726 20 0 EDADLP CCC[C@@](C)(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000352757876 149151576 /nfs/dbraw/zinc/15/15/76/149151576.db2.gz LIGRDOXSIGDSPV-GOSISDBHSA-N 2 2 340.512 1.395 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)[N@H+](C)C1 ZINC000329037237 286087016 /nfs/dbraw/zinc/08/70/16/286087016.db2.gz RPDUFOXPUOFWKR-WBAXXEDZSA-N 2 2 347.459 1.737 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)[N@@H+](C)C1 ZINC000329037237 286087018 /nfs/dbraw/zinc/08/70/18/286087018.db2.gz RPDUFOXPUOFWKR-WBAXXEDZSA-N 2 2 347.459 1.737 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000352819945 149179999 /nfs/dbraw/zinc/17/99/99/149179999.db2.gz OVDCBJRBAUARDC-JZXOWHBKSA-N 2 2 348.491 1.616 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000352819945 149180001 /nfs/dbraw/zinc/18/00/01/149180001.db2.gz OVDCBJRBAUARDC-JZXOWHBKSA-N 2 2 348.491 1.616 20 0 EDADLP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cn1 ZINC000353047518 149265986 /nfs/dbraw/zinc/26/59/86/149265986.db2.gz NDFHAGYWMIAZIA-AYHJJNSGSA-N 2 2 330.476 1.817 20 0 EDADLP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cn1 ZINC000353047518 149265988 /nfs/dbraw/zinc/26/59/88/149265988.db2.gz NDFHAGYWMIAZIA-AYHJJNSGSA-N 2 2 330.476 1.817 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353070725 149274260 /nfs/dbraw/zinc/27/42/60/149274260.db2.gz CWHDKANNRNHWHX-UHFFFAOYSA-N 2 2 344.459 1.962 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353070725 149274262 /nfs/dbraw/zinc/27/42/62/149274262.db2.gz CWHDKANNRNHWHX-UHFFFAOYSA-N 2 2 344.459 1.962 20 0 EDADLP COc1cc(C)nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000353105635 149287913 /nfs/dbraw/zinc/28/79/13/149287913.db2.gz BHQDALJVDPLXSX-ZXFUBFMLSA-N 2 2 346.475 1.572 20 0 EDADLP COc1cc(C)nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000353105635 149287916 /nfs/dbraw/zinc/28/79/16/149287916.db2.gz BHQDALJVDPLXSX-ZXFUBFMLSA-N 2 2 346.475 1.572 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000353142674 149302074 /nfs/dbraw/zinc/30/20/74/149302074.db2.gz OIAVWRQITWMRBK-UHFFFAOYSA-N 2 2 344.419 1.209 20 0 EDADLP C[NH2+]CCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416976892 304359459 /nfs/dbraw/zinc/35/94/59/304359459.db2.gz AIKTZBMIIUIMLU-ZIAGYGMSSA-N 2 2 335.452 1.104 20 0 EDADLP C=Cn1cc(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354924421 150035624 /nfs/dbraw/zinc/03/56/24/150035624.db2.gz OOFPKARYBABFDK-HZPDHXFCSA-N 2 2 332.427 1.762 20 0 EDADLP C=Cn1cc(C[N@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354924421 150035625 /nfs/dbraw/zinc/03/56/25/150035625.db2.gz OOFPKARYBABFDK-HZPDHXFCSA-N 2 2 332.427 1.762 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]Cc2cscn2)cc[nH+]1 ZINC000354935829 150041287 /nfs/dbraw/zinc/04/12/87/150041287.db2.gz SGVKFLQYAXOIRU-WCQYABFASA-N 2 2 336.440 1.706 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc3c(c2)COC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354945638 150047587 /nfs/dbraw/zinc/04/75/87/150047587.db2.gz BLWDSEUHPVWRGR-HNNXBMFYSA-N 2 2 343.471 1.957 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc3c(c2)COC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354945638 150047590 /nfs/dbraw/zinc/04/75/90/150047590.db2.gz BLWDSEUHPVWRGR-HNNXBMFYSA-N 2 2 343.471 1.957 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)n1C ZINC000354975687 150061910 /nfs/dbraw/zinc/06/19/10/150061910.db2.gz LDMVBOWXCQQVFU-HNNXBMFYSA-N 2 2 332.492 1.882 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)n1C ZINC000354975687 150061913 /nfs/dbraw/zinc/06/19/13/150061913.db2.gz LDMVBOWXCQQVFU-HNNXBMFYSA-N 2 2 332.492 1.882 20 0 EDADLP COCCC(=O)N1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000355095092 150113457 /nfs/dbraw/zinc/11/34/57/150113457.db2.gz IQXYNTPIMXKTER-UHFFFAOYSA-N 2 2 343.431 1.256 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000355360671 150233907 /nfs/dbraw/zinc/23/39/07/150233907.db2.gz COBPOFUWKFWSHL-CQSZACIVSA-N 2 2 334.464 1.906 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355399443 150252784 /nfs/dbraw/zinc/25/27/84/150252784.db2.gz PJPQEDOKGFAYOM-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355399443 150252789 /nfs/dbraw/zinc/25/27/89/150252789.db2.gz PJPQEDOKGFAYOM-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355399443 150252792 /nfs/dbraw/zinc/25/27/92/150252792.db2.gz PJPQEDOKGFAYOM-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355399443 150252796 /nfs/dbraw/zinc/25/27/96/150252796.db2.gz PJPQEDOKGFAYOM-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000355501875 150295124 /nfs/dbraw/zinc/29/51/24/150295124.db2.gz CZBLYFOEWKBIBI-OFQRWUPVSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000355501875 150295126 /nfs/dbraw/zinc/29/51/26/150295126.db2.gz CZBLYFOEWKBIBI-OFQRWUPVSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000355501875 150295132 /nfs/dbraw/zinc/29/51/32/150295132.db2.gz CZBLYFOEWKBIBI-OFQRWUPVSA-N 2 2 349.479 1.034 20 0 EDADLP CN(C)c1nc(N2CCC(CCC[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000355587182 150325658 /nfs/dbraw/zinc/32/56/58/150325658.db2.gz QTUGTJFQBOOQJR-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP CCC[N@H+](C)CC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000355640437 150347742 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ZINC000357724119 151126702 /nfs/dbraw/zinc/12/67/02/151126702.db2.gz YGUBOWDHGUGHPN-LPHOPBHVSA-N 2 2 336.476 1.341 20 0 EDADLP CC1(C)[C@@H]2C[N@@H+](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000357743351 151134875 /nfs/dbraw/zinc/13/48/75/151134875.db2.gz FTOPLQUGBLQVTP-HDICACEKSA-N 2 2 327.472 1.919 20 0 EDADLP CC1(C)[C@@H]2C[N@H+](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000357743351 151134878 /nfs/dbraw/zinc/13/48/78/151134878.db2.gz FTOPLQUGBLQVTP-HDICACEKSA-N 2 2 327.472 1.919 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)[NH+](C)C)cc1 ZINC000357775279 151148247 /nfs/dbraw/zinc/14/82/47/151148247.db2.gz XIAZFWJJUXEJJR-BZSNNMDCSA-N 2 2 346.475 1.322 20 0 EDADLP CC(C)[C@H]1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000357787506 151151632 /nfs/dbraw/zinc/15/16/32/151151632.db2.gz DDPKYXJJSPTSIN-NVXWUHKLSA-N 2 2 340.512 1.515 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000357972615 151216927 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EDADLP CC(C)[NH2+]C1CC[NH+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000358064245 151254374 /nfs/dbraw/zinc/25/43/74/151254374.db2.gz LHNYPZCOQWBWRP-UHFFFAOYSA-N 2 2 331.460 1.838 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000358102635 151271802 /nfs/dbraw/zinc/27/18/02/151271802.db2.gz VFDJVRJTWMZXNA-HOCLYGCPSA-N 2 2 325.478 1.036 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000358102635 151271803 /nfs/dbraw/zinc/27/18/03/151271803.db2.gz VFDJVRJTWMZXNA-HOCLYGCPSA-N 2 2 325.478 1.036 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000358104553 151272578 /nfs/dbraw/zinc/27/25/78/151272578.db2.gz ZLLVZLMBAYKGDK-JKSUJKDBSA-N 2 2 349.479 1.141 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000358104553 151272580 /nfs/dbraw/zinc/27/25/80/151272580.db2.gz ZLLVZLMBAYKGDK-JKSUJKDBSA-N 2 2 349.479 1.141 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC000358165281 151293422 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1.538 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000358388310 151358153 /nfs/dbraw/zinc/35/81/53/151358153.db2.gz CLABRNGJKOSQQC-HOTGVXAUSA-N 2 2 346.537 1.538 20 0 EDADLP CC(C)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000358462180 151385192 /nfs/dbraw/zinc/38/51/92/151385192.db2.gz HOTVCXXYZAFBIT-SFHVURJKSA-N 2 2 333.476 1.591 20 0 EDADLP CC(C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000358462180 151385194 /nfs/dbraw/zinc/38/51/94/151385194.db2.gz HOTVCXXYZAFBIT-SFHVURJKSA-N 2 2 333.476 1.591 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)[NH+]1CCOCC1 ZINC000359302493 151677392 /nfs/dbraw/zinc/67/73/92/151677392.db2.gz WXXMBESFANGFDP-IRXDYDNUSA-N 2 2 325.497 1.580 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360573084 152103227 /nfs/dbraw/zinc/10/32/27/152103227.db2.gz ZKZAOTCEYAYUAI-FQEVSTJZSA-N 2 2 345.487 1.818 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360573084 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O=C(NCCCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000363836885 153071765 /nfs/dbraw/zinc/07/17/65/153071765.db2.gz YFXUMWVBWGWOAN-HOTGVXAUSA-N 2 2 335.452 1.216 20 0 EDADLP Cc1cccnc1/C=C/C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363895119 153088399 /nfs/dbraw/zinc/08/83/99/153088399.db2.gz JARVYVQFGGZHJV-JFDDCEBESA-N 2 2 328.460 1.688 20 0 EDADLP Cc1cccnc1/C=C/C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363895119 153088401 /nfs/dbraw/zinc/08/84/01/153088401.db2.gz JARVYVQFGGZHJV-JFDDCEBESA-N 2 2 328.460 1.688 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)c1 ZINC000364312213 153203937 /nfs/dbraw/zinc/20/39/37/153203937.db2.gz BKICCPZTKXDFOW-AWEZNQCLSA-N 2 2 341.415 1.198 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364349024 153213083 /nfs/dbraw/zinc/21/30/83/153213083.db2.gz VVZZAGALAAWZCW-LTIDMASMSA-N 2 2 325.497 1.626 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364349024 153213086 /nfs/dbraw/zinc/21/30/86/153213086.db2.gz VVZZAGALAAWZCW-LTIDMASMSA-N 2 2 325.497 1.626 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c[nH+]2)C[C@@H](C)O1 ZINC000364557263 153269987 /nfs/dbraw/zinc/26/99/87/153269987.db2.gz DFUBKKWNAQKMHX-GTACMHHNSA-N 2 2 344.459 1.311 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000364662099 153296704 /nfs/dbraw/zinc/29/67/04/153296704.db2.gz KFTBQEZKRCWMIZ-BZUAXINKSA-N 2 2 333.480 1.816 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000364662099 153296706 /nfs/dbraw/zinc/29/67/06/153296706.db2.gz KFTBQEZKRCWMIZ-BZUAXINKSA-N 2 2 333.480 1.816 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)CCC2 ZINC000364733501 153317119 /nfs/dbraw/zinc/31/71/19/153317119.db2.gz KXTOJRTUVQIGJS-OAHLLOKOSA-N 2 2 335.452 1.090 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCC[N@H+]1CCCOCC1)CCC2 ZINC000364733501 153317122 /nfs/dbraw/zinc/31/71/22/153317122.db2.gz KXTOJRTUVQIGJS-OAHLLOKOSA-N 2 2 335.452 1.090 20 0 EDADLP CC[C@@]1(C)CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000364794871 153336173 /nfs/dbraw/zinc/33/61/73/153336173.db2.gz XHKLTTLDHUYLPN-YJBOKZPZSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@]1(C)CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000364794871 153336174 /nfs/dbraw/zinc/33/61/74/153336174.db2.gz XHKLTTLDHUYLPN-YJBOKZPZSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@H](C)C2)c2n1CCCC2 ZINC000364810597 153340653 /nfs/dbraw/zinc/34/06/53/153340653.db2.gz GHVBALXCTOGQSP-ZIAGYGMSSA-N 2 2 349.479 1.124 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000364825601 153344550 /nfs/dbraw/zinc/34/45/50/153344550.db2.gz ATPLIHNFLGYMBR-GOSISDBHSA-N 2 2 346.475 1.275 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000364825601 153344555 /nfs/dbraw/zinc/34/45/55/153344555.db2.gz ATPLIHNFLGYMBR-GOSISDBHSA-N 2 2 346.475 1.275 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)ccc21 ZINC000417227968 304385902 /nfs/dbraw/zinc/38/59/02/304385902.db2.gz VWKAQZWKMMUBJQ-KURKYZTESA-N 2 2 344.459 1.782 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)ccc21 ZINC000417227968 304385904 /nfs/dbraw/zinc/38/59/04/304385904.db2.gz VWKAQZWKMMUBJQ-KURKYZTESA-N 2 2 344.459 1.782 20 0 EDADLP COc1ccc(O)cc1[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367318768 154077416 /nfs/dbraw/zinc/07/74/16/154077416.db2.gz RWYBHOWGUQTKMV-CVEARBPZSA-N 2 2 349.475 1.458 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000367428271 154117846 /nfs/dbraw/zinc/11/78/46/154117846.db2.gz GUYKEBGURJDWKC-MRXNPFEDSA-N 2 2 327.432 1.981 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000367428271 154117849 /nfs/dbraw/zinc/11/78/49/154117849.db2.gz GUYKEBGURJDWKC-MRXNPFEDSA-N 2 2 327.432 1.981 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C[N@H+]1CCc2ccccc2C1 ZINC000367551585 154171171 /nfs/dbraw/zinc/17/11/71/154171171.db2.gz LANYZZYMHKKUER-WMZOPIPTSA-N 2 2 326.444 1.796 20 0 EDADLP C[C@H](O)c1ncc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000368018617 154369725 /nfs/dbraw/zinc/36/97/25/154369725.db2.gz KCDOKBYDRCTDSG-DDHJSBNISA-N 2 2 325.478 1.880 20 0 EDADLP C[C@H](O)c1ncc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000368018617 154369727 /nfs/dbraw/zinc/36/97/27/154369727.db2.gz KCDOKBYDRCTDSG-DDHJSBNISA-N 2 2 325.478 1.880 20 0 EDADLP CCO[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361118578 286452671 /nfs/dbraw/zinc/45/26/71/286452671.db2.gz WCEAURJDZXMRGS-HOTGVXAUSA-N 2 2 328.453 1.188 20 0 EDADLP Cc1cc(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)nc(C2CC2)[nH+]1 ZINC000369377111 155003109 /nfs/dbraw/zinc/00/31/09/155003109.db2.gz FRATZWNIOKBUQL-HNNXBMFYSA-N 2 2 329.448 1.405 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000369421133 155024455 /nfs/dbraw/zinc/02/44/55/155024455.db2.gz NVPIAGWCXDIWEV-ZBFHGGJFSA-N 2 2 325.416 1.966 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000369421133 155024459 /nfs/dbraw/zinc/02/44/59/155024459.db2.gz NVPIAGWCXDIWEV-ZBFHGGJFSA-N 2 2 325.416 1.966 20 0 EDADLP C[C@@H](NC(=O)C1(N2CC[NH+](C)CC2)CCCC1)C1=CC[N@H+](C)CC1 ZINC000371652717 156046240 /nfs/dbraw/zinc/04/62/40/156046240.db2.gz ZDXPRBJGJDVOBH-MRXNPFEDSA-N 2 2 334.508 1.313 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)C2 ZINC000371693370 156065308 /nfs/dbraw/zinc/06/53/08/156065308.db2.gz FVBZFUGJLOVLKT-CQSZACIVSA-N 2 2 331.420 1.921 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCOC[C@@H](C)C3)CC2)c1 ZINC000372218263 156273789 /nfs/dbraw/zinc/27/37/89/156273789.db2.gz SPTZTYQXVNLVGZ-SFHVURJKSA-N 2 2 345.487 1.608 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCOC[C@@H](C)C3)CC2)c1 ZINC000372218263 156273795 /nfs/dbraw/zinc/27/37/95/156273795.db2.gz SPTZTYQXVNLVGZ-SFHVURJKSA-N 2 2 345.487 1.608 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000372282996 156311977 /nfs/dbraw/zinc/31/19/77/156311977.db2.gz URSSGQQFZOMROU-HIFRSBDPSA-N 2 2 330.436 1.760 20 0 EDADLP COc1ccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cc1O ZINC000372417445 156379042 /nfs/dbraw/zinc/37/90/42/156379042.db2.gz WJVBGJYHWRFCFO-WBVHZDCISA-N 2 2 349.475 1.238 20 0 EDADLP COc1ccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cc1O ZINC000372417445 156379046 /nfs/dbraw/zinc/37/90/46/156379046.db2.gz WJVBGJYHWRFCFO-WBVHZDCISA-N 2 2 349.475 1.238 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1O ZINC000372417445 156379047 /nfs/dbraw/zinc/37/90/47/156379047.db2.gz WJVBGJYHWRFCFO-WBVHZDCISA-N 2 2 349.475 1.238 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1O ZINC000372417445 156379049 /nfs/dbraw/zinc/37/90/49/156379049.db2.gz WJVBGJYHWRFCFO-WBVHZDCISA-N 2 2 349.475 1.238 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C(=O)OC ZINC000374201470 157191727 /nfs/dbraw/zinc/19/17/27/157191727.db2.gz WGYNCCRSGNDNIM-LRDDRELGSA-N 2 2 336.436 1.293 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@H](C)C2)CC1 ZINC000374368804 157262581 /nfs/dbraw/zinc/26/25/81/157262581.db2.gz WAQBVPFDORHEQC-QGZVFWFLSA-N 2 2 345.487 1.608 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@H](C)C2)CC1 ZINC000374368804 157262582 /nfs/dbraw/zinc/26/25/82/157262582.db2.gz WAQBVPFDORHEQC-QGZVFWFLSA-N 2 2 345.487 1.608 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000374423509 157287191 /nfs/dbraw/zinc/28/71/91/157287191.db2.gz WHQBDXHRHLVIRA-BPQIPLTHSA-N 2 2 347.459 1.817 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000374423509 157287193 /nfs/dbraw/zinc/28/71/93/157287193.db2.gz WHQBDXHRHLVIRA-BPQIPLTHSA-N 2 2 347.459 1.817 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374740732 157384232 /nfs/dbraw/zinc/38/42/32/157384232.db2.gz WBCOGUIXCQJCCN-UHFFFAOYSA-N 2 2 331.460 1.612 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374740732 157384235 /nfs/dbraw/zinc/38/42/35/157384235.db2.gz WBCOGUIXCQJCCN-UHFFFAOYSA-N 2 2 331.460 1.612 20 0 EDADLP CCOCCNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374753111 157388133 /nfs/dbraw/zinc/38/81/33/157388133.db2.gz UCWDMFGLWPFDFN-UHFFFAOYSA-N 2 2 348.491 1.173 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000378069548 158070679 /nfs/dbraw/zinc/07/06/79/158070679.db2.gz LUIQECWFDWTRFD-MRXNPFEDSA-N 2 2 342.447 1.527 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000378069548 158070682 /nfs/dbraw/zinc/07/06/82/158070682.db2.gz LUIQECWFDWTRFD-MRXNPFEDSA-N 2 2 342.447 1.527 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000378139907 158089310 /nfs/dbraw/zinc/08/93/10/158089310.db2.gz IMXGRKUKYASRQM-INIZCTEOSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000378139907 158089311 /nfs/dbraw/zinc/08/93/11/158089311.db2.gz IMXGRKUKYASRQM-INIZCTEOSA-N 2 2 331.460 1.941 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000378315288 158138139 /nfs/dbraw/zinc/13/81/39/158138139.db2.gz IJALEHPWCOQWOH-ZBFHGGJFSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000378315288 158138142 /nfs/dbraw/zinc/13/81/42/158138142.db2.gz IJALEHPWCOQWOH-ZBFHGGJFSA-N 2 2 335.448 1.524 20 0 EDADLP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000378330286 158143857 /nfs/dbraw/zinc/14/38/57/158143857.db2.gz GEJZTUZMCRDBNK-WBVHZDCISA-N 2 2 336.432 1.631 20 0 EDADLP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000378330286 158143860 /nfs/dbraw/zinc/14/38/60/158143860.db2.gz GEJZTUZMCRDBNK-WBVHZDCISA-N 2 2 336.432 1.631 20 0 EDADLP CSCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378373119 158156502 /nfs/dbraw/zinc/15/65/02/158156502.db2.gz WWMANZOPFXFDJT-AWEZNQCLSA-N 2 2 328.526 1.549 20 0 EDADLP CSCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378373119 158156505 /nfs/dbraw/zinc/15/65/05/158156505.db2.gz WWMANZOPFXFDJT-AWEZNQCLSA-N 2 2 328.526 1.549 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C2 ZINC000352149635 162014808 /nfs/dbraw/zinc/01/48/08/162014808.db2.gz UKBBHXJHLJUKFC-FMKPAKJESA-N 2 2 334.464 1.369 20 0 EDADLP COc1csc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000352432339 162179244 /nfs/dbraw/zinc/17/92/44/162179244.db2.gz MIVZHLTYCSTMPC-UHFFFAOYSA-N 2 2 325.478 1.855 20 0 EDADLP COc1csc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000352432339 162179249 /nfs/dbraw/zinc/17/92/49/162179249.db2.gz MIVZHLTYCSTMPC-UHFFFAOYSA-N 2 2 325.478 1.855 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000352473085 162200037 /nfs/dbraw/zinc/20/00/37/162200037.db2.gz OWBFXNISBXMRRI-DLBZAZTESA-N 2 2 344.459 1.270 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000352473085 162200039 /nfs/dbraw/zinc/20/00/39/162200039.db2.gz OWBFXNISBXMRRI-DLBZAZTESA-N 2 2 344.459 1.270 20 0 EDADLP CC(C)C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000074994131 287274864 /nfs/dbraw/zinc/27/48/64/287274864.db2.gz SEWVIRWITMSTOD-INIZCTEOSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000074994131 287274865 /nfs/dbraw/zinc/27/48/65/287274865.db2.gz SEWVIRWITMSTOD-INIZCTEOSA-N 2 2 325.497 1.581 20 0 EDADLP CC[N@@H+](CC(=O)NCCCOC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108844 287280401 /nfs/dbraw/zinc/28/04/01/287280401.db2.gz VBXRBVNIYKMZCQ-UHFFFAOYSA-N 2 2 348.491 1.773 20 0 EDADLP CC[N@H+](CC(=O)NCCCOC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108844 287280403 /nfs/dbraw/zinc/28/04/03/287280403.db2.gz VBXRBVNIYKMZCQ-UHFFFAOYSA-N 2 2 348.491 1.773 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000079313341 287299994 /nfs/dbraw/zinc/29/99/94/287299994.db2.gz NLSCHEZSDVJDHB-QGZVFWFLSA-N 2 2 348.491 1.481 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000081568319 287314233 /nfs/dbraw/zinc/31/42/33/287314233.db2.gz DXLHHJYMPLYWKY-KRWDZBQOSA-N 3 2 338.540 1.639 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000081568319 287314234 /nfs/dbraw/zinc/31/42/34/287314234.db2.gz DXLHHJYMPLYWKY-KRWDZBQOSA-N 3 2 338.540 1.639 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000081568319 287314235 /nfs/dbraw/zinc/31/42/35/287314235.db2.gz DXLHHJYMPLYWKY-KRWDZBQOSA-N 3 2 338.540 1.639 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000081568319 287314236 /nfs/dbraw/zinc/31/42/36/287314236.db2.gz DXLHHJYMPLYWKY-KRWDZBQOSA-N 3 2 338.540 1.639 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804707 287386458 /nfs/dbraw/zinc/38/64/58/287386458.db2.gz ICQAITIRYMIYFN-KZNAEPCWSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804707 287386459 /nfs/dbraw/zinc/38/64/59/287386459.db2.gz ICQAITIRYMIYFN-KZNAEPCWSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3c(c2)COC3)CC1 ZINC000124032507 287393392 /nfs/dbraw/zinc/39/33/92/287393392.db2.gz FTRMAPZMBVRCGG-UHFFFAOYSA-N 2 2 332.448 1.864 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237082656 273007569 /nfs/dbraw/zinc/00/75/69/273007569.db2.gz OPVZZNGUBTZTDY-GOSISDBHSA-N 3 2 332.492 1.609 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1Br ZINC000258982272 273016954 /nfs/dbraw/zinc/01/69/54/273016954.db2.gz UTQZLDWYFBBFRZ-LBPRGKRZSA-N 2 2 328.254 1.451 20 0 EDADLP CC(C)[C@@H](NC(=O)C[NH+]1CCC([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000236602534 267914954 /nfs/dbraw/zinc/91/49/54/267914954.db2.gz POKGPFGJWABZGJ-LJQANCHMSA-N 2 2 347.459 1.694 20 0 EDADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCN1C(=O)CNC1=O ZINC000274860224 268225382 /nfs/dbraw/zinc/22/53/82/268225382.db2.gz RSNBNQXLBARBLA-INIZCTEOSA-N 2 2 332.448 1.284 20 0 EDADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCN1C(=O)CNC1=O ZINC000274860224 268225386 /nfs/dbraw/zinc/22/53/86/268225386.db2.gz RSNBNQXLBARBLA-INIZCTEOSA-N 2 2 332.448 1.284 20 0 EDADLP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)[nH+]1 ZINC000275305750 268319042 /nfs/dbraw/zinc/31/90/42/268319042.db2.gz QSZKNXNHRFSVKD-QGZVFWFLSA-N 3 2 345.491 1.288 20 0 EDADLP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)[nH+]1 ZINC000275305750 268319044 /nfs/dbraw/zinc/31/90/44/268319044.db2.gz QSZKNXNHRFSVKD-QGZVFWFLSA-N 3 2 345.491 1.288 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275308819 268319400 /nfs/dbraw/zinc/31/94/00/268319400.db2.gz NPACELBYKAYZBK-AAEUAGOBSA-N 2 2 333.436 1.161 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275308819 268319402 /nfs/dbraw/zinc/31/94/02/268319402.db2.gz NPACELBYKAYZBK-AAEUAGOBSA-N 2 2 333.436 1.161 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@H]3CCc4[nH+]ccn4C3)cn2c1 ZINC000275432909 268341562 /nfs/dbraw/zinc/34/15/62/268341562.db2.gz PRKBKNCSCWVMEY-CQSZACIVSA-N 2 2 338.415 1.901 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000275499366 268351917 /nfs/dbraw/zinc/35/19/17/268351917.db2.gz AFECPQNUFRVNTR-LJQANCHMSA-N 2 2 345.487 1.931 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000275499366 268351918 /nfs/dbraw/zinc/35/19/18/268351918.db2.gz AFECPQNUFRVNTR-LJQANCHMSA-N 2 2 345.487 1.931 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275532605 268356417 /nfs/dbraw/zinc/35/64/17/268356417.db2.gz YVGLCFDAZUCWNY-AWEZNQCLSA-N 2 2 328.420 1.642 20 0 EDADLP Cc1cccnc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000275744156 268371816 /nfs/dbraw/zinc/37/18/16/268371816.db2.gz QIUWJEYHPKTDAJ-HNNXBMFYSA-N 2 2 339.443 1.908 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)ccc2[nH+]1 ZINC000275965352 268388402 /nfs/dbraw/zinc/38/84/02/268388402.db2.gz GKZKWUFNBQRAFD-UKRRQHHQSA-N 2 2 343.431 1.522 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2[nH+]1 ZINC000275965352 268388404 /nfs/dbraw/zinc/38/84/04/268388404.db2.gz GKZKWUFNBQRAFD-UKRRQHHQSA-N 2 2 343.431 1.522 20 0 EDADLP CC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC[NH2+]1 ZINC000274341144 273085663 /nfs/dbraw/zinc/08/56/63/273085663.db2.gz AXOXOSBMXDSBLQ-IBGZPJMESA-N 2 2 330.476 1.905 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)[NH+](C)C1CC1 ZINC000276268918 273156857 /nfs/dbraw/zinc/15/68/57/273156857.db2.gz GMILKZTZUKNXSV-GDBMZVCRSA-N 2 2 346.479 1.175 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)[NH+](C)C1CC1 ZINC000276268918 273156858 /nfs/dbraw/zinc/15/68/58/273156858.db2.gz GMILKZTZUKNXSV-GDBMZVCRSA-N 2 2 346.479 1.175 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)[N@H+](C)C1CC1 ZINC000276268918 273156859 /nfs/dbraw/zinc/15/68/59/273156859.db2.gz GMILKZTZUKNXSV-GDBMZVCRSA-N 2 2 346.479 1.175 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)[N@@H+](C)C1CC1 ZINC000276268918 273156860 /nfs/dbraw/zinc/15/68/60/273156860.db2.gz GMILKZTZUKNXSV-GDBMZVCRSA-N 2 2 346.479 1.175 20 0 EDADLP COC1(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CCOCC1 ZINC000277002809 273175803 /nfs/dbraw/zinc/17/58/03/273175803.db2.gz KBFYEOKNCDOSBI-MRXNPFEDSA-N 2 2 334.464 1.829 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)[NH+](C)C)cc1 ZINC000280796577 273399529 /nfs/dbraw/zinc/39/95/29/273399529.db2.gz OZAMFXSASPTPRC-SJLPKXTDSA-N 2 2 343.475 1.750 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000283637787 273911482 /nfs/dbraw/zinc/91/14/82/273911482.db2.gz XCADVPTUGVVPFJ-OAHLLOKOSA-N 2 2 347.463 1.108 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc2c[nH+]cn2c1 ZINC000284374624 274180062 /nfs/dbraw/zinc/18/00/62/274180062.db2.gz ATNIADCLIOVXAS-UHFFFAOYSA-N 2 2 337.383 1.496 20 0 EDADLP C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000246330738 287736756 /nfs/dbraw/zinc/73/67/56/287736756.db2.gz NQMVEELXGOFJAK-SOUVJXGZSA-N 2 2 328.501 1.371 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCCCNc2cccc[nH+]2)[N@H+](C)C1 ZINC000284600895 274259500 /nfs/dbraw/zinc/25/95/00/274259500.db2.gz BPRICGBEQSEMPS-GJZGRUSLSA-N 2 2 335.452 1.244 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCCCNc2cccc[nH+]2)[N@@H+](C)C1 ZINC000284600895 274259502 /nfs/dbraw/zinc/25/95/02/274259502.db2.gz BPRICGBEQSEMPS-GJZGRUSLSA-N 2 2 335.452 1.244 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284667021 274286250 /nfs/dbraw/zinc/28/62/50/274286250.db2.gz QRBXCLLZQAVPRU-IPMKNSEASA-N 2 2 334.460 1.359 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284667021 274286251 /nfs/dbraw/zinc/28/62/51/274286251.db2.gz QRBXCLLZQAVPRU-IPMKNSEASA-N 2 2 334.460 1.359 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284667021 274286252 /nfs/dbraw/zinc/28/62/52/274286252.db2.gz QRBXCLLZQAVPRU-IPMKNSEASA-N 2 2 334.460 1.359 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284667021 274286253 /nfs/dbraw/zinc/28/62/53/274286253.db2.gz QRBXCLLZQAVPRU-IPMKNSEASA-N 2 2 334.460 1.359 20 0 EDADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000284681600 274292363 /nfs/dbraw/zinc/29/23/63/274292363.db2.gz RRTAFUPHDWAJPR-ZBQZNYHESA-N 2 2 342.443 1.969 20 0 EDADLP Cc1c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cnn1C ZINC000284803834 274338393 /nfs/dbraw/zinc/33/83/93/274338393.db2.gz KCGULPPMRJENSQ-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cnn1C ZINC000284803834 274338395 /nfs/dbraw/zinc/33/83/95/274338395.db2.gz KCGULPPMRJENSQ-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cnn1C ZINC000284803834 274338397 /nfs/dbraw/zinc/33/83/97/274338397.db2.gz KCGULPPMRJENSQ-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cnn1C ZINC000284803834 274338399 /nfs/dbraw/zinc/33/83/99/274338399.db2.gz KCGULPPMRJENSQ-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP COCC1(O)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285588102 274588607 /nfs/dbraw/zinc/58/86/07/274588607.db2.gz KQFWOUZAPNBYFI-UHFFFAOYSA-N 2 2 347.503 1.672 20 0 EDADLP CCN1CCN(C(=O)NC[C@H](C)[NH+](CC)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000350749398 276111812 /nfs/dbraw/zinc/11/18/12/276111812.db2.gz UJPNNXKXNRUEGV-LSDHHAIUSA-N 2 2 336.484 1.528 20 0 EDADLP CCCC[C@H](C(=O)OC)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367662567 276241675 /nfs/dbraw/zinc/24/16/75/276241675.db2.gz XIZIGTNSHVYRED-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP CCCC[C@H](C(=O)OC)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367662567 276241676 /nfs/dbraw/zinc/24/16/76/276241676.db2.gz XIZIGTNSHVYRED-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367662567 276241677 /nfs/dbraw/zinc/24/16/77/276241677.db2.gz XIZIGTNSHVYRED-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367662567 276241679 /nfs/dbraw/zinc/24/16/79/276241679.db2.gz XIZIGTNSHVYRED-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000411409487 276244863 /nfs/dbraw/zinc/24/48/63/276244863.db2.gz QGUVOJHAAHZVIW-KGLIPLIRSA-N 2 2 332.448 1.886 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000411409487 276244866 /nfs/dbraw/zinc/24/48/66/276244866.db2.gz QGUVOJHAAHZVIW-KGLIPLIRSA-N 2 2 332.448 1.886 20 0 EDADLP C[NH+](C)CC1(CNC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000368753696 276779571 /nfs/dbraw/zinc/77/95/71/276779571.db2.gz LAWUBPIAHMBALP-HNNXBMFYSA-N 2 2 333.480 1.867 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)C2)CC1 ZINC000332901883 277033991 /nfs/dbraw/zinc/03/39/91/277033991.db2.gz WFFFRQUXNZFRBT-LSDHHAIUSA-N 2 2 331.464 1.640 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000332901883 277033992 /nfs/dbraw/zinc/03/39/92/277033992.db2.gz WFFFRQUXNZFRBT-LSDHHAIUSA-N 2 2 331.464 1.640 20 0 EDADLP CN1CC[NH+]([C@@H]2CCCCN(c3ncnc4c3C[N@H+](C)CC4)C2)CC1 ZINC000363505328 277110949 /nfs/dbraw/zinc/11/09/49/277110949.db2.gz WGWVQIZRTMCATO-MRXNPFEDSA-N 2 2 344.507 1.071 20 0 EDADLP CN1CC[NH+]([C@@H]2CCCCN(c3ncnc4c3C[N@@H+](C)CC4)C2)CC1 ZINC000363505328 277110952 /nfs/dbraw/zinc/11/09/52/277110952.db2.gz WGWVQIZRTMCATO-MRXNPFEDSA-N 2 2 344.507 1.071 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351754107 277340307 /nfs/dbraw/zinc/34/03/07/277340307.db2.gz YPDFUOFGCOTJII-NVXWUHKLSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351754107 277340308 /nfs/dbraw/zinc/34/03/08/277340308.db2.gz YPDFUOFGCOTJII-NVXWUHKLSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@@H](CC(C)C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351754107 277340310 /nfs/dbraw/zinc/34/03/10/277340310.db2.gz YPDFUOFGCOTJII-NVXWUHKLSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@@H](CC(C)C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351754107 277340312 /nfs/dbraw/zinc/34/03/12/277340312.db2.gz YPDFUOFGCOTJII-NVXWUHKLSA-N 2 2 325.497 1.674 20 0 EDADLP COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000362523033 277540705 /nfs/dbraw/zinc/54/07/05/277540705.db2.gz DBZCEJSABOAQFC-ROUUACIJSA-N 2 2 331.416 1.782 20 0 EDADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000122556871 278169836 /nfs/dbraw/zinc/16/98/36/278169836.db2.gz HHGJGDRTEZFNKX-CVEARBPZSA-N 2 2 348.491 1.168 20 0 EDADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000122556871 278169838 /nfs/dbraw/zinc/16/98/38/278169838.db2.gz HHGJGDRTEZFNKX-CVEARBPZSA-N 2 2 348.491 1.168 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000266859379 278191209 /nfs/dbraw/zinc/19/12/09/278191209.db2.gz AJVVJVHSPYSJBG-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000266859379 278191211 /nfs/dbraw/zinc/19/12/11/278191211.db2.gz AJVVJVHSPYSJBG-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCCC[C@H]1C ZINC000341256027 278201133 /nfs/dbraw/zinc/20/11/33/278201133.db2.gz KPFNQZRFJFBEDJ-WCXIOVBPSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCCC[C@H]1C ZINC000341256027 278201136 /nfs/dbraw/zinc/20/11/36/278201136.db2.gz KPFNQZRFJFBEDJ-WCXIOVBPSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000341256027 278201138 /nfs/dbraw/zinc/20/11/38/278201138.db2.gz KPFNQZRFJFBEDJ-WCXIOVBPSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000341256027 278201139 /nfs/dbraw/zinc/20/11/39/278201139.db2.gz KPFNQZRFJFBEDJ-WCXIOVBPSA-N 2 2 338.496 1.364 20 0 EDADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000268936111 278209345 /nfs/dbraw/zinc/20/93/45/278209345.db2.gz RPDGXEYLDKWRDH-DYVFJYSZSA-N 2 2 332.448 1.635 20 0 EDADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000268936111 278209346 /nfs/dbraw/zinc/20/93/46/278209346.db2.gz RPDGXEYLDKWRDH-DYVFJYSZSA-N 2 2 332.448 1.635 20 0 EDADLP CC1(C)CCC[N@H+](CCNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000357371776 278215163 /nfs/dbraw/zinc/21/51/63/278215163.db2.gz VVDUFZIZXTXLSF-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP CC1(C)CCC[N@@H+](CCNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000357371776 278215165 /nfs/dbraw/zinc/21/51/65/278215165.db2.gz VVDUFZIZXTXLSF-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP CC1(C)CCC[NH+](CCNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000357371776 278215166 /nfs/dbraw/zinc/21/51/66/278215166.db2.gz VVDUFZIZXTXLSF-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP CC1(C)CCC[NH+](CCNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000357371776 278215167 /nfs/dbraw/zinc/21/51/67/278215167.db2.gz VVDUFZIZXTXLSF-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)C1CCCC1 ZINC000286528430 288028053 /nfs/dbraw/zinc/02/80/53/288028053.db2.gz YHOIBOBDBLQAED-UHFFFAOYSA-N 2 2 347.463 1.037 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)C1CCCC1 ZINC000286528430 288028056 /nfs/dbraw/zinc/02/80/56/288028056.db2.gz YHOIBOBDBLQAED-UHFFFAOYSA-N 2 2 347.463 1.037 20 0 EDADLP CC(C)(C)CN1CCC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000359595414 278324743 /nfs/dbraw/zinc/32/47/43/278324743.db2.gz FUTUTFFSEYTZMB-SJORKVTESA-N 2 2 337.508 1.678 20 0 EDADLP CC(C)(C)CN1CCC[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000359595414 278324744 /nfs/dbraw/zinc/32/47/44/278324744.db2.gz FUTUTFFSEYTZMB-SJORKVTESA-N 2 2 337.508 1.678 20 0 EDADLP OC[C@@]1(F)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286747967 288076626 /nfs/dbraw/zinc/07/66/26/288076626.db2.gz FCINCIQIIHMKQZ-LJQANCHMSA-N 2 2 335.467 1.995 20 0 EDADLP OC[C@@]1(F)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286747967 288076628 /nfs/dbraw/zinc/07/66/28/288076628.db2.gz FCINCIQIIHMKQZ-LJQANCHMSA-N 2 2 335.467 1.995 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000496375422 279037656 /nfs/dbraw/zinc/03/76/56/279037656.db2.gz OKKTZPOMVKBZMG-CVEARBPZSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000496375422 279037659 /nfs/dbraw/zinc/03/76/59/279037659.db2.gz OKKTZPOMVKBZMG-CVEARBPZSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000496375422 279037660 /nfs/dbraw/zinc/03/76/60/279037660.db2.gz OKKTZPOMVKBZMG-CVEARBPZSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000496375422 279037661 /nfs/dbraw/zinc/03/76/61/279037661.db2.gz OKKTZPOMVKBZMG-CVEARBPZSA-N 2 2 329.485 1.632 20 0 EDADLP Cc1nc(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)oc1C ZINC000369345064 279096851 /nfs/dbraw/zinc/09/68/51/279096851.db2.gz SOCDNAIGSIKSGG-HNNXBMFYSA-N 2 2 335.452 1.924 20 0 EDADLP Cc1nc(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)oc1C ZINC000369345064 279096852 /nfs/dbraw/zinc/09/68/52/279096852.db2.gz SOCDNAIGSIKSGG-HNNXBMFYSA-N 2 2 335.452 1.924 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310253189 279218651 /nfs/dbraw/zinc/21/86/51/279218651.db2.gz KROOTTAZGGUBSK-KBMXLJTQSA-N 2 2 330.432 1.024 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310253189 279218652 /nfs/dbraw/zinc/21/86/52/279218652.db2.gz KROOTTAZGGUBSK-KBMXLJTQSA-N 2 2 330.432 1.024 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310253189 279218653 /nfs/dbraw/zinc/21/86/53/279218653.db2.gz KROOTTAZGGUBSK-KBMXLJTQSA-N 2 2 330.432 1.024 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310253189 279218654 /nfs/dbraw/zinc/21/86/54/279218654.db2.gz KROOTTAZGGUBSK-KBMXLJTQSA-N 2 2 330.432 1.024 20 0 EDADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359285238 279235112 /nfs/dbraw/zinc/23/51/12/279235112.db2.gz LZUKGMQHHQLRBZ-WOPDTQHZSA-N 2 2 338.249 1.927 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000357727577 279368104 /nfs/dbraw/zinc/36/81/04/279368104.db2.gz IJDJQLKIGCYIDS-LLVKDONJSA-N 2 2 335.374 1.973 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000357727577 279368108 /nfs/dbraw/zinc/36/81/08/279368108.db2.gz IJDJQLKIGCYIDS-LLVKDONJSA-N 2 2 335.374 1.973 20 0 EDADLP CC(C)[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000344889223 279889524 /nfs/dbraw/zinc/88/95/24/279889524.db2.gz LNOATWZWOYUQKA-CYBMUJFWSA-N 2 2 338.418 1.899 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346936893 280214457 /nfs/dbraw/zinc/21/44/57/280214457.db2.gz SGTXMWCNKBNTSU-TXPKVOOTSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346936893 280214458 /nfs/dbraw/zinc/21/44/58/280214458.db2.gz SGTXMWCNKBNTSU-TXPKVOOTSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346936893 280214459 /nfs/dbraw/zinc/21/44/59/280214459.db2.gz SGTXMWCNKBNTSU-TXPKVOOTSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346936893 280214461 /nfs/dbraw/zinc/21/44/61/280214461.db2.gz SGTXMWCNKBNTSU-TXPKVOOTSA-N 2 2 349.523 1.896 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000287329289 288211425 /nfs/dbraw/zinc/21/14/25/288211425.db2.gz MJGSABSPSKDMIX-SFHVURJKSA-N 2 2 341.459 1.760 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c[nH+]1 ZINC000334092791 280385887 /nfs/dbraw/zinc/38/58/87/280385887.db2.gz OXMFBPITNCZWNE-RHSMWYFYSA-N 2 2 332.448 1.561 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287763279 288317922 /nfs/dbraw/zinc/31/79/22/288317922.db2.gz MHVYYNWXKXBTQA-INIZCTEOSA-N 2 2 334.851 1.799 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000366549465 282076862 /nfs/dbraw/zinc/07/68/62/282076862.db2.gz AATFWUAVAMSZEJ-SFHVURJKSA-N 2 2 342.443 1.839 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000366549465 282076864 /nfs/dbraw/zinc/07/68/64/282076864.db2.gz AATFWUAVAMSZEJ-SFHVURJKSA-N 2 2 342.443 1.839 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2c1 ZINC000289939697 288807899 /nfs/dbraw/zinc/80/78/99/288807899.db2.gz WAZOFDKHSRKBCT-HUUCEWRRSA-N 2 2 344.484 1.944 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)c1cc(C[NH+]2CCCC2)on1 ZINC000291007414 288988582 /nfs/dbraw/zinc/98/85/82/288988582.db2.gz ULZMSZPJLRVCNA-UHFFFAOYSA-N 2 2 325.372 1.848 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccco1 ZINC000291054734 288995384 /nfs/dbraw/zinc/99/53/84/288995384.db2.gz ZVBVXYZDEIRNDA-OAHLLOKOSA-N 2 2 332.404 1.896 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000346185323 289068083 /nfs/dbraw/zinc/06/80/83/289068083.db2.gz YHOZXTSBWFTUIQ-UHFFFAOYSA-N 3 2 339.528 1.140 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NCCc3cn4ccccc4[nH+]3)C2)C1 ZINC000291796671 289182702 /nfs/dbraw/zinc/18/27/02/289182702.db2.gz XOSQEFHCXADUBS-SFHVURJKSA-N 2 2 327.432 1.614 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)NCCc3cn4ccccc4[nH+]3)C2)C1 ZINC000291796671 289182705 /nfs/dbraw/zinc/18/27/05/289182705.db2.gz XOSQEFHCXADUBS-SFHVURJKSA-N 2 2 327.432 1.614 20 0 EDADLP C[C@H](C[NH2+]Cc1cnnn1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000292027858 289242809 /nfs/dbraw/zinc/24/28/09/289242809.db2.gz XWKWLCQHYQEGSE-MRXNPFEDSA-N 2 2 329.448 1.384 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C)ncn3)CC2)CC1 ZINC000292367290 289326839 /nfs/dbraw/zinc/32/68/39/289326839.db2.gz GHPAZZYDOJIOCM-UHFFFAOYSA-N 2 2 345.491 1.551 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)CC(=O)OC)CC2)CC1 ZINC000422010977 447305819 /nfs/dbraw/zinc/30/58/19/447305819.db2.gz CLLHNMLGBRTXNE-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)CC(=O)OC)CC2)CC1 ZINC000422010977 447305827 /nfs/dbraw/zinc/30/58/27/447305827.db2.gz CLLHNMLGBRTXNE-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C(C)(C)C)n1 ZINC000368470565 294221752 /nfs/dbraw/zinc/22/17/52/294221752.db2.gz NSOLEYGJMLJKID-CQSZACIVSA-N 2 2 347.507 1.616 20 0 EDADLP Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C(C)(C)C)n1 ZINC000368470565 294221757 /nfs/dbraw/zinc/22/17/57/294221757.db2.gz NSOLEYGJMLJKID-CQSZACIVSA-N 2 2 347.507 1.616 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359303410 295182496 /nfs/dbraw/zinc/18/24/96/295182496.db2.gz JQUKJLZKNRFZHU-LJISPDSOSA-N 2 2 347.459 1.421 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359303410 295182500 /nfs/dbraw/zinc/18/25/00/295182500.db2.gz JQUKJLZKNRFZHU-LJISPDSOSA-N 2 2 347.459 1.421 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cccc4[nH+]ccn43)C2)CC1 ZINC000377707793 447306735 /nfs/dbraw/zinc/30/67/35/447306735.db2.gz VYGBWQCUTVUCKF-QGZVFWFLSA-N 3 2 327.476 1.936 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)CC1 ZINC000377707793 447306739 /nfs/dbraw/zinc/30/67/39/447306739.db2.gz VYGBWQCUTVUCKF-QGZVFWFLSA-N 3 2 327.476 1.936 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000362860931 300225228 /nfs/dbraw/zinc/22/52/28/300225228.db2.gz CNAMZAQJNUGIBV-DLBZAZTESA-N 3 2 336.524 1.251 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000362860931 300225231 /nfs/dbraw/zinc/22/52/31/300225231.db2.gz CNAMZAQJNUGIBV-DLBZAZTESA-N 3 2 336.524 1.251 20 0 EDADLP C[NH2+]CC1CC[NH+]([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000430961191 305071014 /nfs/dbraw/zinc/07/10/14/305071014.db2.gz BYVZHLDPINBYNX-CQSZACIVSA-N 2 2 340.265 1.907 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420363811 304752165 /nfs/dbraw/zinc/75/21/65/304752165.db2.gz JUZYUBXMEXROIH-BFQNTYOBSA-N 2 2 334.420 1.319 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420371489 304752790 /nfs/dbraw/zinc/75/27/90/304752790.db2.gz WSKZTWDUHJNRHS-HNNXBMFYSA-N 2 2 333.432 1.780 20 0 EDADLP CCOC(=O)CN(C(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000420375107 304753210 /nfs/dbraw/zinc/75/32/10/304753210.db2.gz SOZSIUCGHYNITR-QMTMVMCOSA-N 2 2 347.459 1.559 20 0 EDADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420410265 304756479 /nfs/dbraw/zinc/75/64/79/304756479.db2.gz ZWCHFMLDSSSQIE-SNVBAGLBSA-N 2 2 329.803 1.592 20 0 EDADLP COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653087621 453270340 /nfs/dbraw/zinc/27/03/40/453270340.db2.gz ADHAIYWCNZWQIG-HNNXBMFYSA-N 2 2 345.846 1.733 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCS(=O)(=O)N(C)C)[nH+]1 ZINC000367554069 302004926 /nfs/dbraw/zinc/00/49/26/302004926.db2.gz RTUVCQCWBIVYIR-CQSZACIVSA-N 2 2 326.466 1.158 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCS(=O)(=O)N(C)C)[nH+]1 ZINC000367554069 302004929 /nfs/dbraw/zinc/00/49/29/302004929.db2.gz RTUVCQCWBIVYIR-CQSZACIVSA-N 2 2 326.466 1.158 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3CCOC3(C)C)CC2)c1 ZINC000295281843 303198994 /nfs/dbraw/zinc/19/89/94/303198994.db2.gz SSKWYQVXLHWHMX-GOSISDBHSA-N 2 2 345.487 1.796 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295440485 303220098 /nfs/dbraw/zinc/22/00/98/303220098.db2.gz LIUPVGVYPJFPSH-OAHLLOKOSA-N 2 2 344.459 1.562 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295440485 303220100 /nfs/dbraw/zinc/22/01/00/303220100.db2.gz LIUPVGVYPJFPSH-OAHLLOKOSA-N 2 2 344.459 1.562 20 0 EDADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295701493 303254821 /nfs/dbraw/zinc/25/48/21/303254821.db2.gz FHVSQFYANQMEBB-GJZGRUSLSA-N 2 2 334.464 1.906 20 0 EDADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295701493 303254822 /nfs/dbraw/zinc/25/48/22/303254822.db2.gz FHVSQFYANQMEBB-GJZGRUSLSA-N 2 2 334.464 1.906 20 0 EDADLP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000297182219 303369487 /nfs/dbraw/zinc/36/94/87/303369487.db2.gz KKWROAWTPLGMHV-KRWDZBQOSA-N 2 2 328.416 1.451 20 0 EDADLP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000297182219 303369489 /nfs/dbraw/zinc/36/94/89/303369489.db2.gz KKWROAWTPLGMHV-KRWDZBQOSA-N 2 2 328.416 1.451 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncccc1C(F)(F)F ZINC000261934001 303373758 /nfs/dbraw/zinc/37/37/58/303373758.db2.gz DBFXKDWXIIYLPN-GFCCVEGCSA-N 2 2 344.381 1.920 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ncccc1C(F)(F)F ZINC000261934001 303373759 /nfs/dbraw/zinc/37/37/59/303373759.db2.gz DBFXKDWXIIYLPN-GFCCVEGCSA-N 2 2 344.381 1.920 20 0 EDADLP Cc1nc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(C)c(C)[nH+]1 ZINC000301455545 303679379 /nfs/dbraw/zinc/67/93/79/303679379.db2.gz WLJXNACDKSETOU-UHFFFAOYSA-N 2 2 341.463 1.816 20 0 EDADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)cc1F ZINC000302033264 303708701 /nfs/dbraw/zinc/70/87/01/303708701.db2.gz OCYCHTKYMJFLPQ-UHFFFAOYSA-N 2 2 344.390 1.650 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000332997024 303796668 /nfs/dbraw/zinc/79/66/68/303796668.db2.gz DVDJKNASOWLSMF-RDJZCZTQSA-N 2 2 349.479 1.814 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc(C)[nH+]1 ZINC000422590644 304873363 /nfs/dbraw/zinc/87/33/63/304873363.db2.gz PGDWGJUHZYRDGA-HZPDHXFCSA-N 2 2 346.475 1.694 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000423110386 304886616 /nfs/dbraw/zinc/88/66/16/304886616.db2.gz HTGGHDCFNOJINR-ZACQAIPSSA-N 2 2 347.459 1.023 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423411213 304894817 /nfs/dbraw/zinc/89/48/17/304894817.db2.gz TYTKJCCJTDBJJD-OXHMUOHRSA-N 2 2 329.213 1.745 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1I ZINC000423532199 304898028 /nfs/dbraw/zinc/89/80/28/304898028.db2.gz ZBPZCWGJRQEJES-WDEREUQCSA-N 2 2 346.212 1.930 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000427298510 304988049 /nfs/dbraw/zinc/98/80/49/304988049.db2.gz CYRYUVGRKNFQQW-LSDHHAIUSA-N 2 2 337.489 1.579 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428028773 305004328 /nfs/dbraw/zinc/00/43/28/305004328.db2.gz AURYRTTVQASJRA-RHSMWYFYSA-N 2 2 338.473 1.543 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428028773 305004329 /nfs/dbraw/zinc/00/43/29/305004329.db2.gz AURYRTTVQASJRA-RHSMWYFYSA-N 2 2 338.473 1.543 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428048495 305005702 /nfs/dbraw/zinc/00/57/02/305005702.db2.gz JDQBKADOKNVOOU-GDBMZVCRSA-N 2 2 335.423 1.347 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428048495 305005703 /nfs/dbraw/zinc/00/57/03/305005703.db2.gz JDQBKADOKNVOOU-GDBMZVCRSA-N 2 2 335.423 1.347 20 0 EDADLP CC[NH+](CC)CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428242976 305008746 /nfs/dbraw/zinc/00/87/46/305008746.db2.gz MVRWKTGBCUHVSH-GFCCVEGCSA-N 2 2 330.270 1.931 20 0 EDADLP CSC[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000429287970 305027670 /nfs/dbraw/zinc/02/76/70/305027670.db2.gz NPDUZXDJKCFTQG-OAHLLOKOSA-N 2 2 343.537 1.288 20 0 EDADLP CSC[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000429287970 305027671 /nfs/dbraw/zinc/02/76/71/305027671.db2.gz NPDUZXDJKCFTQG-OAHLLOKOSA-N 2 2 343.537 1.288 20 0 EDADLP COC1(C[C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCC1 ZINC000429526319 305031369 /nfs/dbraw/zinc/03/13/69/305031369.db2.gz ISYSYFAZWUZPSK-CVEARBPZSA-N 2 2 325.497 1.866 20 0 EDADLP COC1(C[C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCC1 ZINC000429526319 305031370 /nfs/dbraw/zinc/03/13/70/305031370.db2.gz ISYSYFAZWUZPSK-CVEARBPZSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCc2[nH]c3ccccc3c2C1)C1CC1 ZINC000430569115 305056141 /nfs/dbraw/zinc/05/61/41/305056141.db2.gz ILTFZVGZPSMYIQ-LJQANCHMSA-N 2 2 326.444 1.770 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430568084 305056255 /nfs/dbraw/zinc/05/62/55/305056255.db2.gz GZLGJABBRSSVGX-IAGOWNOFSA-N 2 2 333.476 1.858 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430568084 305056256 /nfs/dbraw/zinc/05/62/56/305056256.db2.gz GZLGJABBRSSVGX-IAGOWNOFSA-N 2 2 333.476 1.858 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@H](C[NH3+])C3)CC2)c1 ZINC000430624876 305059816 /nfs/dbraw/zinc/05/98/16/305059816.db2.gz JMFODGAYBARCSR-LJQANCHMSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@H](C[NH3+])C3)CC2)c1 ZINC000430624876 305059817 /nfs/dbraw/zinc/05/98/17/305059817.db2.gz JMFODGAYBARCSR-LJQANCHMSA-N 3 2 344.503 1.310 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430634347 305060581 /nfs/dbraw/zinc/06/05/81/305060581.db2.gz BOTYCBWGUHFHOE-CRAIPNDOSA-N 2 2 349.450 1.657 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430634347 305060582 /nfs/dbraw/zinc/06/05/82/305060582.db2.gz BOTYCBWGUHFHOE-CRAIPNDOSA-N 2 2 349.450 1.657 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430918002 305067997 /nfs/dbraw/zinc/06/79/97/305067997.db2.gz GCPISIOYMRMEFV-MAUKXSAKSA-N 2 2 333.476 1.802 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430918002 305067998 /nfs/dbraw/zinc/06/79/98/305067998.db2.gz GCPISIOYMRMEFV-MAUKXSAKSA-N 2 2 333.476 1.802 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)n(-c2ccccc2F)n1 ZINC000430926315 305068645 /nfs/dbraw/zinc/06/86/45/305068645.db2.gz NVJINLMWWDPOIY-ZDUSSCGKSA-N 2 2 331.395 1.539 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)n(-c2ccccc2F)n1 ZINC000430926315 305068646 /nfs/dbraw/zinc/06/86/46/305068646.db2.gz NVJINLMWWDPOIY-ZDUSSCGKSA-N 2 2 331.395 1.539 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000430931007 305068833 /nfs/dbraw/zinc/06/88/33/305068833.db2.gz BYXMBGOTJQDUAL-KBXCAEBGSA-N 2 2 331.460 1.855 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000430931007 305068834 /nfs/dbraw/zinc/06/88/34/305068834.db2.gz BYXMBGOTJQDUAL-KBXCAEBGSA-N 2 2 331.460 1.855 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430936065 305069165 /nfs/dbraw/zinc/06/91/65/305069165.db2.gz WRMVSJRTIBHJOF-YPMHNXCESA-N 2 2 334.420 1.261 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430936065 305069166 /nfs/dbraw/zinc/06/91/66/305069166.db2.gz WRMVSJRTIBHJOF-YPMHNXCESA-N 2 2 334.420 1.261 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@H]1[NH3+] ZINC000430938170 305069421 /nfs/dbraw/zinc/06/94/21/305069421.db2.gz ASFKCJWZJUXYPE-ZIAGYGMSSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@H]1[NH3+] ZINC000430938170 305069422 /nfs/dbraw/zinc/06/94/22/305069422.db2.gz ASFKCJWZJUXYPE-ZIAGYGMSSA-N 2 2 330.432 1.421 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430942529 305069620 /nfs/dbraw/zinc/06/96/20/305069620.db2.gz CZXSUMOYGDMDPQ-GOEBONIOSA-N 2 2 349.475 1.592 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430942529 305069621 /nfs/dbraw/zinc/06/96/21/305069621.db2.gz CZXSUMOYGDMDPQ-GOEBONIOSA-N 2 2 349.475 1.592 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2cccc(COC(C)C)c2)C1 ZINC000430956942 305070768 /nfs/dbraw/zinc/07/07/68/305070768.db2.gz QSJNYXFGNHXMLM-GOSISDBHSA-N 2 2 333.476 1.769 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(COC(C)C)c2)C1 ZINC000430956942 305070769 /nfs/dbraw/zinc/07/07/69/305070769.db2.gz QSJNYXFGNHXMLM-GOSISDBHSA-N 2 2 333.476 1.769 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000430958455 305070873 /nfs/dbraw/zinc/07/08/73/305070873.db2.gz SMXRUSFMWUJOGX-AWEZNQCLSA-N 2 2 339.867 1.719 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000430958455 305070874 /nfs/dbraw/zinc/07/08/74/305070874.db2.gz SMXRUSFMWUJOGX-AWEZNQCLSA-N 2 2 339.867 1.719 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000430971927 305071742 /nfs/dbraw/zinc/07/17/42/305071742.db2.gz QDROYOPSVNPALY-LJQANCHMSA-N 3 2 344.503 1.440 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000430971927 305071743 /nfs/dbraw/zinc/07/17/43/305071743.db2.gz QDROYOPSVNPALY-LJQANCHMSA-N 3 2 344.503 1.440 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430972644 305071831 /nfs/dbraw/zinc/07/18/31/305071831.db2.gz QJGUSDIXROGFFY-QAPCUYQASA-N 2 2 341.459 1.200 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430972644 305071832 /nfs/dbraw/zinc/07/18/32/305071832.db2.gz QJGUSDIXROGFFY-QAPCUYQASA-N 2 2 341.459 1.200 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1CC1 ZINC000433235058 305103272 /nfs/dbraw/zinc/10/32/72/305103272.db2.gz UDOKLPGFXPLQJB-CZUORRHYSA-N 2 2 335.452 1.424 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1CC1 ZINC000433235058 305103273 /nfs/dbraw/zinc/10/32/73/305103273.db2.gz UDOKLPGFXPLQJB-CZUORRHYSA-N 2 2 335.452 1.424 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)c3ncn([C@@H]4CCC[NH2+]C4)n3)cn21 ZINC000433387006 305107486 /nfs/dbraw/zinc/10/74/86/305107486.db2.gz PRYWDXIEKJFHMR-CQSZACIVSA-N 2 2 339.403 1.089 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CCN1C ZINC000433471054 305110271 /nfs/dbraw/zinc/11/02/71/305110271.db2.gz PSDIVJHETYCDNU-KRWDZBQOSA-N 2 2 341.459 1.367 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CCN1C ZINC000433471054 305110272 /nfs/dbraw/zinc/11/02/72/305110272.db2.gz PSDIVJHETYCDNU-KRWDZBQOSA-N 2 2 341.459 1.367 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000433928904 305114780 /nfs/dbraw/zinc/11/47/80/305114780.db2.gz BKVSISDQSLMQQL-IXDOHACOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000433928904 305114781 /nfs/dbraw/zinc/11/47/81/305114781.db2.gz BKVSISDQSLMQQL-IXDOHACOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000434192640 305118701 /nfs/dbraw/zinc/11/87/01/305118701.db2.gz ADZMAVKHMHTVDH-BBWFWOEESA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000434192640 305118702 /nfs/dbraw/zinc/11/87/02/305118702.db2.gz ADZMAVKHMHTVDH-BBWFWOEESA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000434673034 305127034 /nfs/dbraw/zinc/12/70/34/305127034.db2.gz BBFQJYHRTKKWHY-QGZVFWFLSA-N 2 2 348.491 1.966 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000434673034 305127035 /nfs/dbraw/zinc/12/70/35/305127035.db2.gz BBFQJYHRTKKWHY-QGZVFWFLSA-N 2 2 348.491 1.966 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N(CC2CC2)C[C@H]2C[NH+](C)CCO2)C1 ZINC000434893761 305132558 /nfs/dbraw/zinc/13/25/58/305132558.db2.gz DDLCBURUGJIPMN-DLBZAZTESA-N 2 2 338.496 1.223 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N(CC2CC2)C[C@H]2C[NH+](C)CCO2)C1 ZINC000434893761 305132559 /nfs/dbraw/zinc/13/25/59/305132559.db2.gz DDLCBURUGJIPMN-DLBZAZTESA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000434893761 305132560 /nfs/dbraw/zinc/13/25/60/305132560.db2.gz DDLCBURUGJIPMN-DLBZAZTESA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000434893761 305132561 /nfs/dbraw/zinc/13/25/61/305132561.db2.gz DDLCBURUGJIPMN-DLBZAZTESA-N 2 2 338.496 1.223 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435383719 305139523 /nfs/dbraw/zinc/13/95/23/305139523.db2.gz IVEDKZBUBOEGPQ-QGZVFWFLSA-N 2 2 331.460 1.775 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435383719 305139524 /nfs/dbraw/zinc/13/95/24/305139524.db2.gz IVEDKZBUBOEGPQ-QGZVFWFLSA-N 2 2 331.460 1.775 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435563004 305142397 /nfs/dbraw/zinc/14/23/97/305142397.db2.gz BJZBWQDMBZRFEE-LSDHHAIUSA-N 2 2 332.448 1.410 20 0 EDADLP C[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435626832 305143852 /nfs/dbraw/zinc/14/38/52/305143852.db2.gz PQGSONZCZKMKCW-OAHLLOKOSA-N 2 2 344.459 1.826 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)[C@@H]1CCC[NH2+]CC1 ZINC000435626832 305143853 /nfs/dbraw/zinc/14/38/53/305143853.db2.gz PQGSONZCZKMKCW-OAHLLOKOSA-N 2 2 344.459 1.826 20 0 EDADLP CCc1nc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)no1 ZINC000435695070 305145461 /nfs/dbraw/zinc/14/54/61/305145461.db2.gz PWGASSJOICCAMQ-ZDUSSCGKSA-N 2 2 330.436 1.510 20 0 EDADLP CCCNC(=O)CN(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435693607 305145573 /nfs/dbraw/zinc/14/55/73/305145573.db2.gz JOFYPAUHXJIALW-HNNXBMFYSA-N 2 2 333.480 1.373 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000435734191 305146539 /nfs/dbraw/zinc/14/65/39/305146539.db2.gz WHDVBOZUHDDCHL-CJNGLKHVSA-N 2 2 343.468 1.376 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000435734191 305146540 /nfs/dbraw/zinc/14/65/40/305146540.db2.gz WHDVBOZUHDDCHL-CJNGLKHVSA-N 2 2 343.468 1.376 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436052209 305151338 /nfs/dbraw/zinc/15/13/38/305151338.db2.gz NLXNDUJZEIRYKD-QGZVFWFLSA-N 2 2 346.475 1.561 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436052209 305151339 /nfs/dbraw/zinc/15/13/39/305151339.db2.gz NLXNDUJZEIRYKD-QGZVFWFLSA-N 2 2 346.475 1.561 20 0 EDADLP CCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000444419533 305248061 /nfs/dbraw/zinc/24/80/61/305248061.db2.gz ZGFYCXHKTYAVIF-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000444419533 305248062 /nfs/dbraw/zinc/24/80/62/305248062.db2.gz ZGFYCXHKTYAVIF-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP CC[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000451153980 305332869 /nfs/dbraw/zinc/33/28/69/305332869.db2.gz IWEGXGYQVGJXQI-AEFFLSMTSA-N 2 2 333.476 1.595 20 0 EDADLP CC[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000451153980 305332870 /nfs/dbraw/zinc/33/28/70/305332870.db2.gz IWEGXGYQVGJXQI-AEFFLSMTSA-N 2 2 333.476 1.595 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C2 ZINC000452360426 305392644 /nfs/dbraw/zinc/39/26/44/305392644.db2.gz IVLOUJHYJQHMGU-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)C2 ZINC000452360426 305392645 /nfs/dbraw/zinc/39/26/45/305392645.db2.gz IVLOUJHYJQHMGU-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)CC2 ZINC000452360426 305392646 /nfs/dbraw/zinc/39/26/46/305392646.db2.gz IVLOUJHYJQHMGU-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)CC2 ZINC000452360426 305392647 /nfs/dbraw/zinc/39/26/47/305392647.db2.gz IVLOUJHYJQHMGU-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC(C)(C)C[NH+](C)C)c[nH+]2)CCO1 ZINC000457666199 305494385 /nfs/dbraw/zinc/49/43/85/305494385.db2.gz UTSXNLGFWNXVRP-CQSZACIVSA-N 2 2 349.479 1.446 20 0 EDADLP CCC(CC)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000456316135 447358972 /nfs/dbraw/zinc/35/89/72/447358972.db2.gz FORBBYDURROHNR-HQSKLWIPSA-N 2 2 337.508 1.865 20 0 EDADLP CCC(CC)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000456316135 447358980 /nfs/dbraw/zinc/35/89/80/447358980.db2.gz FORBBYDURROHNR-HQSKLWIPSA-N 2 2 337.508 1.865 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[C@@H]3CCC[NH2+]C3)CCCC2)no1 ZINC000517040632 305747208 /nfs/dbraw/zinc/74/72/08/305747208.db2.gz VWRYHCKEBBUPTC-ZDUSSCGKSA-N 2 2 335.452 1.406 20 0 EDADLP [NH3+][C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1c(F)cccc1F ZINC000519634427 305771668 /nfs/dbraw/zinc/77/16/68/305771668.db2.gz KECDIEKVJMZUTA-QFYYESIMSA-N 2 2 332.354 1.814 20 0 EDADLP FC1(F)Oc2cccc(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)c2O1 ZINC000530219111 305934425 /nfs/dbraw/zinc/93/44/25/305934425.db2.gz ZCYXDZAFABWHEX-LSDHHAIUSA-N 2 2 340.370 1.907 20 0 EDADLP O[C@H](COC1CCOCC1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127895 306003857 /nfs/dbraw/zinc/00/38/57/306003857.db2.gz IHDPKXQJZSTNCN-INIZCTEOSA-N 2 2 335.448 1.514 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000535316523 306012921 /nfs/dbraw/zinc/01/29/21/306012921.db2.gz JDCNGMHXIIPWHV-OWCLPIDISA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000535316523 306012922 /nfs/dbraw/zinc/01/29/22/306012922.db2.gz JDCNGMHXIIPWHV-OWCLPIDISA-N 2 2 332.448 1.379 20 0 EDADLP CC(C)[NH+]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000538678587 306031753 /nfs/dbraw/zinc/03/17/53/306031753.db2.gz DJIABJXGVKMUAK-UHFFFAOYSA-N 2 2 348.472 1.646 20 0 EDADLP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000543655053 306066323 /nfs/dbraw/zinc/06/63/23/306066323.db2.gz CPRQYNSIKDDGIF-GOSISDBHSA-N 2 2 348.491 1.481 20 0 EDADLP CN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000543655053 306066324 /nfs/dbraw/zinc/06/63/24/306066324.db2.gz CPRQYNSIKDDGIF-GOSISDBHSA-N 2 2 348.491 1.481 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)c1 ZINC000543690605 306066922 /nfs/dbraw/zinc/06/69/22/306066922.db2.gz ZUDZAPKUFPKLAQ-UHFFFAOYSA-N 2 2 339.443 1.814 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000545150333 306080506 /nfs/dbraw/zinc/08/05/06/306080506.db2.gz VGLJBVWSSDSIHR-GOSISDBHSA-N 2 2 344.415 1.004 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000545150333 306080507 /nfs/dbraw/zinc/08/05/07/306080507.db2.gz VGLJBVWSSDSIHR-GOSISDBHSA-N 2 2 344.415 1.004 20 0 EDADLP Cc1nnc([C@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000546848794 306096487 /nfs/dbraw/zinc/09/64/87/306096487.db2.gz UZCHVIABCHJIKU-NSHDSACASA-N 2 2 340.497 1.233 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000547544017 306103666 /nfs/dbraw/zinc/10/36/66/306103666.db2.gz YLTLFRUUMFNBSO-UHFFFAOYSA-N 2 2 341.459 1.523 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000548635835 306133459 /nfs/dbraw/zinc/13/34/59/306133459.db2.gz IJXRELDRWARWOF-IUODEOHRSA-N 2 2 334.445 1.920 20 0 EDADLP C[N@H+](CCN1CCCC1=O)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700112 306160302 /nfs/dbraw/zinc/16/03/02/306160302.db2.gz WVUCPPDYQKUPEO-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP C[N@@H+](CCN1CCCC1=O)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700112 306160303 /nfs/dbraw/zinc/16/03/03/306160303.db2.gz WVUCPPDYQKUPEO-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP C[NH+](CCN1CCCC1=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551700112 306160304 /nfs/dbraw/zinc/16/03/04/306160304.db2.gz WVUCPPDYQKUPEO-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP C[NH+](CCN1CCCC1=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551700112 306160305 /nfs/dbraw/zinc/16/03/05/306160305.db2.gz WVUCPPDYQKUPEO-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP Cc1cc(=O)[nH]c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000556687752 306213920 /nfs/dbraw/zinc/21/39/20/306213920.db2.gz QSJAFMOLQZIZQT-XYPWUTKMSA-N 2 2 344.459 1.479 20 0 EDADLP Cc1cc(=O)[nH]c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000556687752 306213921 /nfs/dbraw/zinc/21/39/21/306213921.db2.gz QSJAFMOLQZIZQT-XYPWUTKMSA-N 2 2 344.459 1.479 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000556781514 306217915 /nfs/dbraw/zinc/21/79/15/306217915.db2.gz ZXCNMWPKDAKPLQ-DOTOQJQBSA-N 2 2 332.448 1.976 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000556781514 306217916 /nfs/dbraw/zinc/21/79/16/306217916.db2.gz ZXCNMWPKDAKPLQ-DOTOQJQBSA-N 2 2 332.448 1.976 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458450441 447373944 /nfs/dbraw/zinc/37/39/44/447373944.db2.gz ZMYCFJOKCPKWNV-ZACQAIPSSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458450441 447373951 /nfs/dbraw/zinc/37/39/51/447373951.db2.gz ZMYCFJOKCPKWNV-ZACQAIPSSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458450441 447373957 /nfs/dbraw/zinc/37/39/57/447373957.db2.gz ZMYCFJOKCPKWNV-ZACQAIPSSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458450441 447373961 /nfs/dbraw/zinc/37/39/61/447373961.db2.gz ZMYCFJOKCPKWNV-ZACQAIPSSA-N 2 2 338.496 1.413 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000414955996 447372788 /nfs/dbraw/zinc/37/27/88/447372788.db2.gz PJRBTFWKQAZMQW-DNVCBOLYSA-N 3 2 340.471 1.627 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000414963145 447375891 /nfs/dbraw/zinc/37/58/91/447375891.db2.gz KRDJVZPLEMIQDH-SFHVURJKSA-N 2 2 326.444 1.654 20 0 EDADLP CO[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1(C)C ZINC000458571412 447416866 /nfs/dbraw/zinc/41/68/66/447416866.db2.gz AJZPBOSFLUFYKP-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045814083 441044068 /nfs/dbraw/zinc/04/40/68/441044068.db2.gz NSRYTRSXLLYWRI-OAHLLOKOSA-N 2 2 345.447 1.711 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000057377940 441111684 /nfs/dbraw/zinc/11/16/84/441111684.db2.gz VUVSHZZHLZXKDX-UHFFFAOYSA-N 2 2 328.420 1.590 20 0 EDADLP CC(C)C[C@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000057803635 441136083 /nfs/dbraw/zinc/13/60/83/441136083.db2.gz PHQNGYHRXFDQOL-HZPDHXFCSA-N 2 2 337.468 1.318 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000101979846 441164371 /nfs/dbraw/zinc/16/43/71/441164371.db2.gz BGADZQORBBDFIS-OAHLLOKOSA-N 2 2 349.479 1.446 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000101979846 441164374 /nfs/dbraw/zinc/16/43/74/441164374.db2.gz BGADZQORBBDFIS-OAHLLOKOSA-N 2 2 349.479 1.446 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105079349 441230670 /nfs/dbraw/zinc/23/06/70/441230670.db2.gz KOJKIPZDFURKBP-HUUCEWRRSA-N 2 2 326.485 1.268 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cn1 ZINC000080961838 441212787 /nfs/dbraw/zinc/21/27/87/441212787.db2.gz OVEQVRQOMSNLGX-ZFWWWQNUSA-N 2 2 328.420 1.518 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)cn1 ZINC000080961838 441212791 /nfs/dbraw/zinc/21/27/91/441212791.db2.gz OVEQVRQOMSNLGX-ZFWWWQNUSA-N 2 2 328.420 1.518 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCCN2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000081292521 441248902 /nfs/dbraw/zinc/24/89/02/441248902.db2.gz FKJNPCWGJFIKEZ-UHFFFAOYSA-N 3 2 327.476 1.908 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000105787695 441269306 /nfs/dbraw/zinc/26/93/06/441269306.db2.gz POUGXUCTUVLZIN-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000105787695 441269309 /nfs/dbraw/zinc/26/93/09/441269309.db2.gz POUGXUCTUVLZIN-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP CC1CCC([N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000061799176 441289676 /nfs/dbraw/zinc/28/96/76/441289676.db2.gz GKUMNYYTNXCLHS-UHFFFAOYSA-N 2 2 325.497 1.724 20 0 EDADLP CC1CCC([N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000061799176 441289678 /nfs/dbraw/zinc/28/96/78/441289678.db2.gz GKUMNYYTNXCLHS-UHFFFAOYSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](C[C@@H]1CCCO1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105227463 441243763 /nfs/dbraw/zinc/24/37/63/441243763.db2.gz RWYPVUCGZYKLTM-WBVHZDCISA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](C[C@@H]1CCCO1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105227463 441243768 /nfs/dbraw/zinc/24/37/68/441243768.db2.gz RWYPVUCGZYKLTM-WBVHZDCISA-N 2 2 340.512 1.611 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000073701289 441343223 /nfs/dbraw/zinc/34/32/23/441343223.db2.gz RGYRRPBFENXYQK-KURKYZTESA-N 2 2 328.460 1.789 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000073701289 441343225 /nfs/dbraw/zinc/34/32/25/441343225.db2.gz RGYRRPBFENXYQK-KURKYZTESA-N 2 2 328.460 1.789 20 0 EDADLP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073701289 441343231 /nfs/dbraw/zinc/34/32/31/441343231.db2.gz RGYRRPBFENXYQK-KURKYZTESA-N 2 2 328.460 1.789 20 0 EDADLP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073701289 441343236 /nfs/dbraw/zinc/34/32/36/441343236.db2.gz RGYRRPBFENXYQK-KURKYZTESA-N 2 2 328.460 1.789 20 0 EDADLP O=C(C[N@H+](CCO)CC1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000064516453 441382989 /nfs/dbraw/zinc/38/29/89/441382989.db2.gz NJSOCOBBYIAZHS-UHFFFAOYSA-N 2 2 347.459 1.162 20 0 EDADLP O=C(C[N@@H+](CCO)CC1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000064516453 441382991 /nfs/dbraw/zinc/38/29/91/441382991.db2.gz NJSOCOBBYIAZHS-UHFFFAOYSA-N 2 2 347.459 1.162 20 0 EDADLP Cn1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C1CC1 ZINC000050797383 441389508 /nfs/dbraw/zinc/38/95/08/441389508.db2.gz ZDQGDMGNBNLUTK-UHFFFAOYSA-N 2 2 345.491 1.586 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000030515594 441494506 /nfs/dbraw/zinc/49/45/06/441494506.db2.gz AIDBHBRTCYBDFP-SFHVURJKSA-N 2 2 342.443 1.959 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000030515594 441494509 /nfs/dbraw/zinc/49/45/09/441494509.db2.gz AIDBHBRTCYBDFP-SFHVURJKSA-N 2 2 342.443 1.959 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109751127 441504510 /nfs/dbraw/zinc/50/45/10/441504510.db2.gz GGKIVMFSQQYDFL-FUHWJXTLSA-N 2 2 338.540 1.782 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109751127 441504513 /nfs/dbraw/zinc/50/45/13/441504513.db2.gz GGKIVMFSQQYDFL-FUHWJXTLSA-N 2 2 338.540 1.782 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109754396 441504594 /nfs/dbraw/zinc/50/45/94/441504594.db2.gz UDWWXKKWDPIVBR-SJORKVTESA-N 2 2 338.540 1.782 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109754396 441504595 /nfs/dbraw/zinc/50/45/95/441504595.db2.gz UDWWXKKWDPIVBR-SJORKVTESA-N 2 2 338.540 1.782 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000109796887 441508253 /nfs/dbraw/zinc/50/82/53/441508253.db2.gz ZDBQCVVZTANULM-UHFFFAOYSA-N 3 2 331.464 1.263 20 0 EDADLP CC[N@H+](C)CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000066988493 441597043 /nfs/dbraw/zinc/59/70/43/441597043.db2.gz ZQMXCWAWWOVHGS-OAHLLOKOSA-N 2 2 333.411 1.900 20 0 EDADLP CC[N@@H+](C)CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000066988493 441597045 /nfs/dbraw/zinc/59/70/45/441597045.db2.gz ZQMXCWAWWOVHGS-OAHLLOKOSA-N 2 2 333.411 1.900 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc(C)[nH+]1 ZINC000422279238 447441086 /nfs/dbraw/zinc/44/10/86/447441086.db2.gz RMUAPMJHJKZIOS-INIZCTEOSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc(C)[nH+]1 ZINC000422279238 447441093 /nfs/dbraw/zinc/44/10/93/447441093.db2.gz RMUAPMJHJKZIOS-INIZCTEOSA-N 2 2 346.475 1.551 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000035853346 441604736 /nfs/dbraw/zinc/60/47/36/441604736.db2.gz FHCAAEUYQMQBFU-GOSISDBHSA-N 2 2 344.503 1.357 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000114076374 441634378 /nfs/dbraw/zinc/63/43/78/441634378.db2.gz VORQCAFDZUWNQS-ROUUACIJSA-N 2 2 331.460 1.140 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000114076374 441634382 /nfs/dbraw/zinc/63/43/82/441634382.db2.gz VORQCAFDZUWNQS-ROUUACIJSA-N 2 2 331.460 1.140 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000067705042 441670302 /nfs/dbraw/zinc/67/03/02/441670302.db2.gz GDNXNXQVHORWTR-WMZOPIPTSA-N 2 2 348.491 1.618 20 0 EDADLP c1cn(-c2cc(N3CCCC[C@@H]3C[NH+]3CCOCC3)ncn2)c[nH+]1 ZINC000077219663 441736311 /nfs/dbraw/zinc/73/63/11/441736311.db2.gz ANGJNIDSVCKQHS-OAHLLOKOSA-N 2 2 328.420 1.353 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121713997 441765319 /nfs/dbraw/zinc/76/53/19/441765319.db2.gz VGPNDVSVDCHMKU-MSOLQXFVSA-N 2 2 347.459 1.855 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000173664262 441818783 /nfs/dbraw/zinc/81/87/83/441818783.db2.gz SXMFBQNGWNGNMN-HOTGVXAUSA-N 2 2 339.867 1.780 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000173664262 441818789 /nfs/dbraw/zinc/81/87/89/441818789.db2.gz SXMFBQNGWNGNMN-HOTGVXAUSA-N 2 2 339.867 1.780 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000043138567 441820875 /nfs/dbraw/zinc/82/08/75/441820875.db2.gz ZOZJFCQVMDEOEU-UHFFFAOYSA-N 2 2 335.452 1.217 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000139389416 441815096 /nfs/dbraw/zinc/81/50/96/441815096.db2.gz MKJGOBGWKYZREM-KRWDZBQOSA-N 2 2 346.475 1.487 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000139389416 441815103 /nfs/dbraw/zinc/81/51/03/441815103.db2.gz MKJGOBGWKYZREM-KRWDZBQOSA-N 2 2 346.475 1.487 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1COc2ccccc2O1 ZINC000122988354 441870889 /nfs/dbraw/zinc/87/08/89/441870889.db2.gz CTWPSAIOEDOKNK-GOSISDBHSA-N 2 2 347.459 1.311 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1COc2ccccc2O1 ZINC000122988354 441870894 /nfs/dbraw/zinc/87/08/94/441870894.db2.gz CTWPSAIOEDOKNK-GOSISDBHSA-N 2 2 347.459 1.311 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000043311990 441833868 /nfs/dbraw/zinc/83/38/68/441833868.db2.gz HCKGFJYWZMOFBG-UHFFFAOYSA-N 2 2 327.432 1.719 20 0 EDADLP CCC[C@@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@@H+]1CCOC ZINC000092940921 441842998 /nfs/dbraw/zinc/84/29/98/441842998.db2.gz AYOYCQTXXMARIW-MRXNPFEDSA-N 2 2 344.463 1.908 20 0 EDADLP CCC[C@@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@H+]1CCOC ZINC000092940921 441843001 /nfs/dbraw/zinc/84/30/01/441843001.db2.gz AYOYCQTXXMARIW-MRXNPFEDSA-N 2 2 344.463 1.908 20 0 EDADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCSC1 ZINC000123805766 441900846 /nfs/dbraw/zinc/90/08/46/441900846.db2.gz HOOZNLSOYQDCCZ-MRXNPFEDSA-N 2 2 340.537 1.692 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124417751 441925046 /nfs/dbraw/zinc/92/50/46/441925046.db2.gz KBBFFJNHOJAGFH-HNNXBMFYSA-N 2 2 330.432 1.919 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124417751 441925052 /nfs/dbraw/zinc/92/50/52/441925052.db2.gz KBBFFJNHOJAGFH-HNNXBMFYSA-N 2 2 330.432 1.919 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)C(=O)Nc1c[nH+]ccc1OC)[NH+](C)C ZINC000118098534 441887475 /nfs/dbraw/zinc/88/74/75/441887475.db2.gz RNVBFUWLIRUFNC-CQSZACIVSA-N 2 2 336.436 1.511 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000174486079 441929670 /nfs/dbraw/zinc/92/96/70/441929670.db2.gz UJXRQIFWSALYRN-GOSISDBHSA-N 2 2 347.459 1.060 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000174486079 441929676 /nfs/dbraw/zinc/92/96/76/441929676.db2.gz UJXRQIFWSALYRN-GOSISDBHSA-N 2 2 347.459 1.060 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000151049300 441995830 /nfs/dbraw/zinc/99/58/30/441995830.db2.gz LJHPGWAMVJJASI-DZGCQCFKSA-N 2 2 348.472 1.765 20 0 EDADLP CC[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000125620360 442036709 /nfs/dbraw/zinc/03/67/09/442036709.db2.gz QAYZMCKUZYZXMM-QGZVFWFLSA-N 2 2 345.487 1.867 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)no1 ZINC000120278678 442041760 /nfs/dbraw/zinc/04/17/60/442041760.db2.gz ATGJHDDKLJSBNB-UHFFFAOYSA-N 2 2 349.479 1.582 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(=O)NCc1ccco1 ZINC000161974428 442051598 /nfs/dbraw/zinc/05/15/98/442051598.db2.gz RVSFWZZJNCKNKY-HNNXBMFYSA-N 2 2 342.443 1.934 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000162683400 442114681 /nfs/dbraw/zinc/11/46/81/442114681.db2.gz JTCJRRIBTHJSCT-QGZVFWFLSA-N 2 2 345.443 1.212 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000162683400 442114684 /nfs/dbraw/zinc/11/46/84/442114684.db2.gz JTCJRRIBTHJSCT-QGZVFWFLSA-N 2 2 345.443 1.212 20 0 EDADLP COc1ccc(O)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000126654129 442130738 /nfs/dbraw/zinc/13/07/38/442130738.db2.gz KSGSDYRJYQFVFE-UHFFFAOYSA-N 2 2 347.459 1.689 20 0 EDADLP CC(C)(C)NC(=O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162913808 442130864 /nfs/dbraw/zinc/13/08/64/442130864.db2.gz LSIOABQLTAWRTD-UHFFFAOYSA-N 2 2 325.376 1.537 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000120887288 442147422 /nfs/dbraw/zinc/14/74/22/442147422.db2.gz BARCCMBTKVWNEV-GOSISDBHSA-N 2 2 349.450 1.581 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000120887288 442147423 /nfs/dbraw/zinc/14/74/23/442147423.db2.gz BARCCMBTKVWNEV-GOSISDBHSA-N 2 2 349.450 1.581 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)s1 ZINC000151686925 442106727 /nfs/dbraw/zinc/10/67/27/442106727.db2.gz XEZWTNJLPFJXKI-CQSZACIVSA-N 2 2 338.473 1.997 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)s1 ZINC000151686925 442106730 /nfs/dbraw/zinc/10/67/30/442106730.db2.gz XEZWTNJLPFJXKI-CQSZACIVSA-N 2 2 338.473 1.997 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1(O)CCCC1 ZINC000152194033 442179469 /nfs/dbraw/zinc/17/94/69/442179469.db2.gz SYCIKZZIGBWZST-UHFFFAOYSA-N 2 2 335.448 1.161 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1(O)CCCC1 ZINC000152194033 442179473 /nfs/dbraw/zinc/17/94/73/442179473.db2.gz SYCIKZZIGBWZST-UHFFFAOYSA-N 2 2 335.448 1.161 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[N@@H+]1C1CC1 ZINC000121154156 442184267 /nfs/dbraw/zinc/18/42/67/442184267.db2.gz QVMGKYYCULFWND-CHWSQXEVSA-N 2 2 343.518 1.583 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[N@H+]1C1CC1 ZINC000121154156 442184270 /nfs/dbraw/zinc/18/42/70/442184270.db2.gz QVMGKYYCULFWND-CHWSQXEVSA-N 2 2 343.518 1.583 20 0 EDADLP C[C@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000152250656 442188850 /nfs/dbraw/zinc/18/88/50/442188850.db2.gz MGUWSZWOQNLSPQ-DLBZAZTESA-N 2 2 349.479 1.588 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166371407 442216719 /nfs/dbraw/zinc/21/67/19/442216719.db2.gz ZDSLNYWIOUDNJJ-AEFFLSMTSA-N 2 2 331.460 1.518 20 0 EDADLP CCC[C@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000168165235 442223801 /nfs/dbraw/zinc/22/38/01/442223801.db2.gz HVLJBCMPAFMFMO-UONOGXRCSA-N 2 2 325.478 1.707 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000168166462 442223810 /nfs/dbraw/zinc/22/38/10/442223810.db2.gz JFKBRVXYUFEBKQ-SOUVJXGZSA-N 2 2 337.489 1.707 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000153205197 442267350 /nfs/dbraw/zinc/26/73/50/442267350.db2.gz DMESSSYRCJBGFB-XHSDSOJGSA-N 2 2 331.464 1.784 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000153205197 442267354 /nfs/dbraw/zinc/26/73/54/442267354.db2.gz DMESSSYRCJBGFB-XHSDSOJGSA-N 2 2 331.464 1.784 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cncn3C)CC2)CC1 ZINC000177065819 442293198 /nfs/dbraw/zinc/29/31/98/442293198.db2.gz KMBUBCYWDAIQBZ-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000170958871 442294171 /nfs/dbraw/zinc/29/41/71/442294171.db2.gz OALQZTOGCBFQFF-OAHLLOKOSA-N 2 2 349.504 1.457 20 0 EDADLP O=C(CN1CC[N@H+]2CCC[C@@H]2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000170958871 442294173 /nfs/dbraw/zinc/29/41/73/442294173.db2.gz OALQZTOGCBFQFF-OAHLLOKOSA-N 2 2 349.504 1.457 20 0 EDADLP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)Cn1cc[nH+]c1 ZINC000153663807 442294647 /nfs/dbraw/zinc/29/46/47/442294647.db2.gz LIERZEUVXJSFCP-INIZCTEOSA-N 2 2 342.443 1.781 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000171191556 442324706 /nfs/dbraw/zinc/32/47/06/442324706.db2.gz GWEHKIBQAFLHQN-UHFFFAOYSA-N 2 2 347.463 1.612 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000171191556 442324708 /nfs/dbraw/zinc/32/47/08/442324708.db2.gz GWEHKIBQAFLHQN-UHFFFAOYSA-N 2 2 347.463 1.612 20 0 EDADLP C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000177358044 442331743 /nfs/dbraw/zinc/33/17/43/442331743.db2.gz AFAFZMKFHYUCRP-HNNXBMFYSA-N 2 2 341.496 1.944 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177426360 442340134 /nfs/dbraw/zinc/34/01/34/442340134.db2.gz GARDVPKJVJOGEF-QGZVFWFLSA-N 2 2 331.464 1.932 20 0 EDADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000154570975 442346102 /nfs/dbraw/zinc/34/61/02/442346102.db2.gz CNZIVRABIATXCC-SJLPKXTDSA-N 2 2 349.475 1.088 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000153993380 442315368 /nfs/dbraw/zinc/31/53/68/442315368.db2.gz XKDSVVZYEMYASW-IAGOWNOFSA-N 2 2 344.503 1.776 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000154054026 442319015 /nfs/dbraw/zinc/31/90/15/442319015.db2.gz CYCZPIWIKMNQPL-OAHLLOKOSA-N 2 2 338.452 1.074 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000177725574 442376725 /nfs/dbraw/zinc/37/67/25/442376725.db2.gz CRBBXRGPJHGBCR-IAGOWNOFSA-N 2 2 336.524 1.393 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000177725574 442376728 /nfs/dbraw/zinc/37/67/28/442376728.db2.gz CRBBXRGPJHGBCR-IAGOWNOFSA-N 2 2 336.524 1.393 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171901430 442388486 /nfs/dbraw/zinc/38/84/86/442388486.db2.gz ZEVHQJLAZRZTKA-SFHVURJKSA-N 2 2 339.443 1.921 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171901430 442388489 /nfs/dbraw/zinc/38/84/89/442388489.db2.gz ZEVHQJLAZRZTKA-SFHVURJKSA-N 2 2 339.443 1.921 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H]([NH+](C)C)C1 ZINC000171945846 442392261 /nfs/dbraw/zinc/39/22/61/442392261.db2.gz KQYYYILQHZVRKA-SJORKVTESA-N 2 2 345.491 1.145 20 0 EDADLP Cn1cc[nH+]c1CC1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000178621153 442448764 /nfs/dbraw/zinc/44/87/64/442448764.db2.gz WJFTYXIGHFLMFA-UHFFFAOYSA-N 2 2 348.491 1.704 20 0 EDADLP C[C@H]1CSCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000172435768 442460766 /nfs/dbraw/zinc/46/07/66/442460766.db2.gz NIUZOFXJXBPRQT-AWEZNQCLSA-N 2 2 339.530 1.830 20 0 EDADLP C[C@H]1CSCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000172435768 442460771 /nfs/dbraw/zinc/46/07/71/442460771.db2.gz NIUZOFXJXBPRQT-AWEZNQCLSA-N 2 2 339.530 1.830 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000178714619 442461703 /nfs/dbraw/zinc/46/17/03/442461703.db2.gz AFDPYMZUZYEZPQ-KRWDZBQOSA-N 2 2 343.475 1.834 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000180053234 442534080 /nfs/dbraw/zinc/53/40/80/442534080.db2.gz NDKZWISXJRCYFS-CYBMUJFWSA-N 2 2 341.477 1.095 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134944145 442538985 /nfs/dbraw/zinc/53/89/85/442538985.db2.gz PIWCMDNPSFUTNW-VQIMIIECSA-N 3 2 348.535 1.536 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134944145 442538989 /nfs/dbraw/zinc/53/89/89/442538989.db2.gz PIWCMDNPSFUTNW-VQIMIIECSA-N 3 2 348.535 1.536 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134944145 442538991 /nfs/dbraw/zinc/53/89/91/442538991.db2.gz PIWCMDNPSFUTNW-VQIMIIECSA-N 3 2 348.535 1.536 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134944145 442538994 /nfs/dbraw/zinc/53/89/94/442538994.db2.gz PIWCMDNPSFUTNW-VQIMIIECSA-N 3 2 348.535 1.536 20 0 EDADLP O=C1OCCN1CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178893361 442518024 /nfs/dbraw/zinc/51/80/24/442518024.db2.gz MFHUNMSQPQBUPF-UHFFFAOYSA-N 2 2 339.359 1.465 20 0 EDADLP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H](C)O1 ZINC000192071738 442585306 /nfs/dbraw/zinc/58/53/06/442585306.db2.gz ZKQXRRRGXXWUJR-RHSMWYFYSA-N 2 2 329.400 1.943 20 0 EDADLP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H](C)O1 ZINC000192071738 442585312 /nfs/dbraw/zinc/58/53/12/442585312.db2.gz ZKQXRRRGXXWUJR-RHSMWYFYSA-N 2 2 329.400 1.943 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])c2[nH+]ccn2C)c1 ZINC000192090727 442589577 /nfs/dbraw/zinc/58/95/77/442589577.db2.gz OZKAJWFCGIVFEA-WQGACYEGSA-N 2 2 346.431 1.626 20 0 EDADLP C[NH+]1CCC(CNC(=O)Nc2cnns2)([NH+]2CCCCC2)CC1 ZINC000192353264 442637887 /nfs/dbraw/zinc/63/78/87/442637887.db2.gz FLHUDXUFZBZTOR-UHFFFAOYSA-N 2 2 338.481 1.610 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H](CO)c2ccccc2)CC1 ZINC000179316474 442619834 /nfs/dbraw/zinc/61/98/34/442619834.db2.gz OLWBIHGTVFPAMF-KRWDZBQOSA-N 2 2 348.491 1.088 20 0 EDADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000181039385 442677276 /nfs/dbraw/zinc/67/72/76/442677276.db2.gz YBGQOXFZJAHAOM-SJLPKXTDSA-N 2 2 331.460 1.579 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(CC[N@@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000192690738 442677484 /nfs/dbraw/zinc/67/74/84/442677484.db2.gz QORNYUZKOTYGOU-SFHVURJKSA-N 2 2 347.503 1.924 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(CC[N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000192690738 442677485 /nfs/dbraw/zinc/67/74/85/442677485.db2.gz QORNYUZKOTYGOU-SFHVURJKSA-N 2 2 347.503 1.924 20 0 EDADLP COCc1noc([C@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000182211159 442745687 /nfs/dbraw/zinc/74/56/87/442745687.db2.gz RWLDSCSXSIUBGD-GJZGRUSLSA-N 2 2 337.468 1.379 20 0 EDADLP COCc1noc([C@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000182211159 442745689 /nfs/dbraw/zinc/74/56/89/442745689.db2.gz RWLDSCSXSIUBGD-GJZGRUSLSA-N 2 2 337.468 1.379 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246703401 442805313 /nfs/dbraw/zinc/80/53/13/442805313.db2.gz WJXMNDNDXUZJLD-XYVMCAHJSA-N 2 2 331.460 1.502 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000193626587 442761013 /nfs/dbraw/zinc/76/10/13/442761013.db2.gz BCCRYVRVMVPUIH-OAGGEKHMSA-N 2 2 344.459 1.833 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000193626587 442761014 /nfs/dbraw/zinc/76/10/14/442761014.db2.gz BCCRYVRVMVPUIH-OAGGEKHMSA-N 2 2 344.459 1.833 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000193626587 442761016 /nfs/dbraw/zinc/76/10/16/442761016.db2.gz BCCRYVRVMVPUIH-OAGGEKHMSA-N 2 2 344.459 1.833 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1 ZINC000193626587 442761018 /nfs/dbraw/zinc/76/10/18/442761018.db2.gz BCCRYVRVMVPUIH-OAGGEKHMSA-N 2 2 344.459 1.833 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1 ZINC000193629152 442761380 /nfs/dbraw/zinc/76/13/80/442761380.db2.gz LVTXGIFZJSZOQS-GASCZTMLSA-N 2 2 330.432 1.445 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000193629152 442761382 /nfs/dbraw/zinc/76/13/82/442761382.db2.gz LVTXGIFZJSZOQS-GASCZTMLSA-N 2 2 330.432 1.445 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000193629152 442761383 /nfs/dbraw/zinc/76/13/83/442761383.db2.gz LVTXGIFZJSZOQS-GASCZTMLSA-N 2 2 330.432 1.445 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000193629152 442761385 /nfs/dbraw/zinc/76/13/85/442761385.db2.gz LVTXGIFZJSZOQS-GASCZTMLSA-N 2 2 330.432 1.445 20 0 EDADLP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC000193649215 442763653 /nfs/dbraw/zinc/76/36/53/442763653.db2.gz CFSVZIPIUXTQEI-OKILXGFUSA-N 2 2 339.386 1.398 20 0 EDADLP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC000193649215 442763654 /nfs/dbraw/zinc/76/36/54/442763654.db2.gz CFSVZIPIUXTQEI-OKILXGFUSA-N 2 2 339.386 1.398 20 0 EDADLP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC000193649215 442763656 /nfs/dbraw/zinc/76/36/56/442763656.db2.gz CFSVZIPIUXTQEI-OKILXGFUSA-N 2 2 339.386 1.398 20 0 EDADLP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC000193649215 442763657 /nfs/dbraw/zinc/76/36/57/442763657.db2.gz CFSVZIPIUXTQEI-OKILXGFUSA-N 2 2 339.386 1.398 20 0 EDADLP 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ZINC000189786241 443010605 /nfs/dbraw/zinc/01/06/05/443010605.db2.gz JKJVTFQQCQNRQK-UHFFFAOYSA-N 2 2 339.399 1.117 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3cnccn3)CC2)CC1 ZINC000184541743 443035658 /nfs/dbraw/zinc/03/56/58/443035658.db2.gz NTSQRBLQDIFLLS-MRXNPFEDSA-N 2 2 345.491 1.804 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1CO ZINC000190359650 443092706 /nfs/dbraw/zinc/09/27/06/443092706.db2.gz IVHZFPZDSSNFLV-CRAIPNDOSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1CO ZINC000190359650 443092708 /nfs/dbraw/zinc/09/27/08/443092708.db2.gz IVHZFPZDSSNFLV-CRAIPNDOSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000231762280 443136612 /nfs/dbraw/zinc/13/66/12/443136612.db2.gz OADYININUNDQJR-QLFBSQMISA-N 2 2 329.485 1.941 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)cc[nH+]1 ZINC000184934231 443102231 /nfs/dbraw/zinc/10/22/31/443102231.db2.gz YFNBHRIFQBLRDJ-OAHLLOKOSA-N 2 2 331.464 1.698 20 0 EDADLP O=C(CN1CC[NH2+]CC1=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000238120498 443195334 /nfs/dbraw/zinc/19/53/34/443195334.db2.gz GCBOJLPZLVORJK-UHFFFAOYSA-N 2 2 330.432 1.043 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000266690454 443209323 /nfs/dbraw/zinc/20/93/23/443209323.db2.gz UCUGHYRTPIIKLI-CVEARBPZSA-N 2 2 331.464 1.916 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000266690454 443209326 /nfs/dbraw/zinc/20/93/26/443209326.db2.gz UCUGHYRTPIIKLI-CVEARBPZSA-N 2 2 331.464 1.916 20 0 EDADLP [NH3+]Cc1nc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cs1 ZINC000269238206 443245202 /nfs/dbraw/zinc/24/52/02/443245202.db2.gz OFYVQEDRAMZJSP-UHFFFAOYSA-N 2 2 331.445 1.917 20 0 EDADLP C[NH+](C)CCCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269246663 443249612 /nfs/dbraw/zinc/24/96/12/443249612.db2.gz VDYCRDWOMLRQER-SFHVURJKSA-N 3 2 343.475 1.259 20 0 EDADLP CC(C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000264142914 443252502 /nfs/dbraw/zinc/25/25/02/443252502.db2.gz YRTVCDFYWCAQND-KRWDZBQOSA-N 2 2 332.492 1.687 20 0 EDADLP CC(C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000264142914 443252509 /nfs/dbraw/zinc/25/25/09/443252509.db2.gz YRTVCDFYWCAQND-KRWDZBQOSA-N 2 2 332.492 1.687 20 0 EDADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000414775993 319343876 /nfs/dbraw/zinc/34/38/76/319343876.db2.gz WJDLYNMQDOWVIG-LJQANCHMSA-N 2 2 343.450 1.799 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000246146619 443272614 /nfs/dbraw/zinc/27/26/14/443272614.db2.gz JWNJYVXEQGTTLS-SJLPKXTDSA-N 2 2 345.491 1.954 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000246146619 443272621 /nfs/dbraw/zinc/27/26/21/443272621.db2.gz JWNJYVXEQGTTLS-SJLPKXTDSA-N 2 2 345.491 1.954 20 0 EDADLP CN1CC[N@H+](CCCNC(=O)[C@H]2CSC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000269299468 443273210 /nfs/dbraw/zinc/27/32/10/443273210.db2.gz PRAOHVACOOLQKH-SJORKVTESA-N 2 2 348.516 1.144 20 0 EDADLP CN1CC[N@@H+](CCCNC(=O)[C@H]2CSC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000269299468 443273214 /nfs/dbraw/zinc/27/32/14/443273214.db2.gz PRAOHVACOOLQKH-SJORKVTESA-N 2 2 348.516 1.144 20 0 EDADLP C[N@@H+]1CCN(CCCNC(=O)[C@H]2CSC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000269299468 443273219 /nfs/dbraw/zinc/27/32/19/443273219.db2.gz PRAOHVACOOLQKH-SJORKVTESA-N 2 2 348.516 1.144 20 0 EDADLP C[N@H+]1CCN(CCCNC(=O)[C@H]2CSC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000269299468 443273220 /nfs/dbraw/zinc/27/32/20/443273220.db2.gz PRAOHVACOOLQKH-SJORKVTESA-N 2 2 348.516 1.144 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000246158393 443274093 /nfs/dbraw/zinc/27/40/93/443274093.db2.gz CYQCBKVWIIPBCN-OCCSQVGLSA-N 2 2 332.448 1.874 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000246158393 443274097 /nfs/dbraw/zinc/27/40/97/443274097.db2.gz CYQCBKVWIIPBCN-OCCSQVGLSA-N 2 2 332.448 1.874 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000264398412 443277571 /nfs/dbraw/zinc/27/75/71/443277571.db2.gz UWGPRLITULYASQ-OAHLLOKOSA-N 2 2 328.478 1.014 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000264398412 443277574 /nfs/dbraw/zinc/27/75/74/443277574.db2.gz UWGPRLITULYASQ-OAHLLOKOSA-N 2 2 328.478 1.014 20 0 EDADLP Cc1csc2nc(C[NH+]3CCN(c4[nH+]ccn4C)CC3)cc(=O)n12 ZINC000266965660 443305533 /nfs/dbraw/zinc/30/55/33/443305533.db2.gz YCJUXFXYGHHZHJ-UHFFFAOYSA-N 2 2 344.444 1.120 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000416835256 319465147 /nfs/dbraw/zinc/46/51/47/319465147.db2.gz YDYSTBJQRQRXEK-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000416862230 319467609 /nfs/dbraw/zinc/46/76/09/319467609.db2.gz XVEPQPJAEYHWEU-HOTGVXAUSA-N 2 2 341.459 1.986 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416923881 319475793 /nfs/dbraw/zinc/47/57/93/319475793.db2.gz WMMSBGHTKGAZLK-UGFHNGPFSA-N 2 2 331.395 1.780 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000269522264 443335173 /nfs/dbraw/zinc/33/51/73/443335173.db2.gz WCBDBLSBYGKTHI-UHFFFAOYSA-N 2 2 333.440 1.223 20 0 EDADLP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000418656994 319508908 /nfs/dbraw/zinc/50/89/08/319508908.db2.gz GKFIQWUSPCDZRC-DLBZAZTESA-N 2 2 332.448 1.495 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000266945317 443298645 /nfs/dbraw/zinc/29/86/45/443298645.db2.gz RNFJDRLJGGJFRB-OAHLLOKOSA-N 2 2 348.447 1.391 20 0 EDADLP CC(C)(C(=O)N1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000278601540 443374572 /nfs/dbraw/zinc/37/45/72/443374572.db2.gz LDVJZCKFNOPOSY-UHFFFAOYSA-N 2 2 345.487 1.484 20 0 EDADLP Cn1ccc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000267118131 443347927 /nfs/dbraw/zinc/34/79/27/443347927.db2.gz ZJDQISDUQDGNLT-UHFFFAOYSA-N 2 2 333.480 1.383 20 0 EDADLP O=C(C[N@@H+]1CCCN(c2cc[nH+]c3ccncc32)CC1)N1CCCC1 ZINC000267171833 443365915 /nfs/dbraw/zinc/36/59/15/443365915.db2.gz CIULSUBSMBHVNB-UHFFFAOYSA-N 2 2 339.443 1.764 20 0 EDADLP O=C(C[N@H+]1CCCN(c2cc[nH+]c3ccncc32)CC1)N1CCCC1 ZINC000267171833 443365921 /nfs/dbraw/zinc/36/59/21/443365921.db2.gz CIULSUBSMBHVNB-UHFFFAOYSA-N 2 2 339.443 1.764 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000420380744 319612577 /nfs/dbraw/zinc/61/25/77/319612577.db2.gz YSBCRIIJEMMZDC-XNJGSVPQSA-N 2 2 347.488 1.908 20 0 EDADLP C[C@@H](CCc1ccco1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267286676 443405634 /nfs/dbraw/zinc/40/56/34/443405634.db2.gz HYWRGESHASCRDH-HNNXBMFYSA-N 2 2 336.480 1.926 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000267292766 443407881 /nfs/dbraw/zinc/40/78/81/443407881.db2.gz CNSDKHXMCNSTAB-MRXNPFEDSA-N 2 2 330.436 1.961 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422926168 319737662 /nfs/dbraw/zinc/73/76/62/319737662.db2.gz CPOSDLDBEGPAGQ-PBHICJAKSA-N 2 2 339.505 1.947 20 0 EDADLP c1cc2c(cc1CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)OCCO2 ZINC000422925322 319737753 /nfs/dbraw/zinc/73/77/53/319737753.db2.gz BKIHUBZJXUSMDF-MOPGFXCFSA-N 2 2 332.444 1.747 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422927189 319738123 /nfs/dbraw/zinc/73/81/23/319738123.db2.gz FZILFNZBNFJLOR-RHSMWYFYSA-N 2 2 339.505 1.805 20 0 EDADLP COC[C@@]1(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]C1 ZINC000423410341 319772877 /nfs/dbraw/zinc/77/28/77/319772877.db2.gz ZZTJLAQGIHBCDZ-FZKQIMNGSA-N 2 2 334.464 1.238 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000423479257 319778695 /nfs/dbraw/zinc/77/86/95/319778695.db2.gz UVZADAONBTZNNL-CABCVRRESA-N 2 2 347.463 1.167 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000279196689 443532508 /nfs/dbraw/zinc/53/25/08/443532508.db2.gz MDUKTWUMBDLHPG-MRXNPFEDSA-N 2 2 328.416 1.360 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000279196689 443532514 /nfs/dbraw/zinc/53/25/14/443532514.db2.gz MDUKTWUMBDLHPG-MRXNPFEDSA-N 2 2 328.416 1.360 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)C12CCC[NH+]1CCC2 ZINC000283216270 443562625 /nfs/dbraw/zinc/56/26/25/443562625.db2.gz ZOVGOPNWWFKHNA-UHFFFAOYSA-N 2 2 330.432 1.163 20 0 EDADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CCc3[nH]cc[nH+]3)cc21 ZINC000279266358 443545514 /nfs/dbraw/zinc/54/55/14/443545514.db2.gz UOSZBZBOLINYPP-UHFFFAOYSA-N 2 2 343.387 1.451 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)c1ccccc1 ZINC000286053352 443635690 /nfs/dbraw/zinc/63/56/90/443635690.db2.gz SNMQXLHBMOFPFI-FGTMMUONSA-N 2 2 346.475 1.404 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)c1ccccc1 ZINC000286053352 443635695 /nfs/dbraw/zinc/63/56/95/443635695.db2.gz SNMQXLHBMOFPFI-FGTMMUONSA-N 2 2 346.475 1.404 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000279523760 443600664 /nfs/dbraw/zinc/60/06/64/443600664.db2.gz SYEWADTVMBOACN-SJORKVTESA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000279523760 443600668 /nfs/dbraw/zinc/60/06/68/443600668.db2.gz SYEWADTVMBOACN-SJORKVTESA-N 2 2 342.443 1.342 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000433181865 319975099 /nfs/dbraw/zinc/97/50/99/319975099.db2.gz ZIRTYZPNONPGIC-KRWDZBQOSA-N 2 2 346.475 1.437 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)c(OC)co2)[C@H](C)C1 ZINC000276145567 443653815 /nfs/dbraw/zinc/65/38/15/443653815.db2.gz BDQUGOZGXMSXEI-GDBMZVCRSA-N 2 2 338.448 1.875 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)c(OC)co2)[C@H](C)C1 ZINC000276145567 443653817 /nfs/dbraw/zinc/65/38/17/443653817.db2.gz BDQUGOZGXMSXEI-GDBMZVCRSA-N 2 2 338.448 1.875 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000440259188 320066862 /nfs/dbraw/zinc/06/68/62/320066862.db2.gz KESYEIBFUBRVES-KBAYOESNSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000440259188 320066863 /nfs/dbraw/zinc/06/68/63/320066863.db2.gz KESYEIBFUBRVES-KBAYOESNSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@@H+]1C1CC1 ZINC000449376636 320185681 /nfs/dbraw/zinc/18/56/81/320185681.db2.gz MBCWZUWTBLLMEJ-YPMHNXCESA-N 2 2 340.265 1.826 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@H+]1C1CC1 ZINC000449376636 320185683 /nfs/dbraw/zinc/18/56/83/320185683.db2.gz MBCWZUWTBLLMEJ-YPMHNXCESA-N 2 2 340.265 1.826 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000449728860 320202578 /nfs/dbraw/zinc/20/25/78/320202578.db2.gz XQVXUIRTQYTKGP-BFYDXBDKSA-N 2 2 348.466 1.580 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452354919 320247782 /nfs/dbraw/zinc/24/77/82/320247782.db2.gz WNLSYIOUCGZIJR-OAHLLOKOSA-N 2 2 344.459 1.562 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000457446722 320326327 /nfs/dbraw/zinc/32/63/27/320326327.db2.gz VVNOBAZBEUSPEW-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000457446722 320326328 /nfs/dbraw/zinc/32/63/28/320326328.db2.gz VVNOBAZBEUSPEW-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCOCC1 ZINC000457599207 320330184 /nfs/dbraw/zinc/33/01/84/320330184.db2.gz LUIMRBGUNFECOP-MRXNPFEDSA-N 2 2 337.468 1.009 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000478254514 320353900 /nfs/dbraw/zinc/35/39/00/320353900.db2.gz NRCHZGUKDBSHCO-RRFJBIMHSA-N 2 2 349.479 1.445 20 0 EDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492891979 320390086 /nfs/dbraw/zinc/39/00/86/320390086.db2.gz DMMYQQNDKVJSJC-FPLPWBNLSA-N 2 2 327.388 1.952 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccnc4c3cnn4C)CC2)CC1 ZINC000286335315 443693204 /nfs/dbraw/zinc/69/32/04/443693204.db2.gz VPTAZJZRXVOCDC-UHFFFAOYSA-N 2 2 342.491 1.963 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000283785678 443719335 /nfs/dbraw/zinc/71/93/35/443719335.db2.gz FYODCOYRAMMZRB-HNNXBMFYSA-N 2 2 349.479 1.159 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c[nH+]c(C)n2C)s1 ZINC000520253958 320476517 /nfs/dbraw/zinc/47/65/17/320476517.db2.gz FSGJUUPONCJGGO-UHFFFAOYSA-N 2 2 328.463 1.167 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000527941746 320529930 /nfs/dbraw/zinc/52/99/30/320529930.db2.gz PFIPROOCBHHVLJ-SFHVURJKSA-N 2 2 342.443 1.690 20 0 EDADLP O=C(N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280819100 443750575 /nfs/dbraw/zinc/75/05/75/443750575.db2.gz NBZDFUYJTWYFLM-HBFSDRIKSA-N 2 2 343.471 1.254 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000292754836 443835654 /nfs/dbraw/zinc/83/56/54/443835654.db2.gz ATGIFSIUNWXLKA-UHFFFAOYSA-N 2 2 327.432 1.713 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H](CO)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000292980166 443894470 /nfs/dbraw/zinc/89/44/70/443894470.db2.gz BGOAIPRWJNANQX-KRWDZBQOSA-N 2 2 346.475 1.215 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H](CO)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000292980166 443894473 /nfs/dbraw/zinc/89/44/73/443894473.db2.gz BGOAIPRWJNANQX-KRWDZBQOSA-N 2 2 346.475 1.215 20 0 EDADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285424183 443979238 /nfs/dbraw/zinc/97/92/38/443979238.db2.gz DVCUYAXSGKYZQQ-QGZVFWFLSA-N 2 2 337.489 1.134 20 0 EDADLP CS(=O)(=O)NCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285424183 443979240 /nfs/dbraw/zinc/97/92/40/443979240.db2.gz DVCUYAXSGKYZQQ-QGZVFWFLSA-N 2 2 337.489 1.134 20 0 EDADLP CS(=O)(=O)NCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285424183 443979245 /nfs/dbraw/zinc/97/92/45/443979245.db2.gz DVCUYAXSGKYZQQ-QGZVFWFLSA-N 2 2 337.489 1.134 20 0 EDADLP CS(=O)(=O)NCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285424183 443979247 /nfs/dbraw/zinc/97/92/47/443979247.db2.gz DVCUYAXSGKYZQQ-QGZVFWFLSA-N 2 2 337.489 1.134 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000299228181 443989155 /nfs/dbraw/zinc/98/91/55/443989155.db2.gz CADUEGWEPGCORA-UHFFFAOYSA-N 2 2 328.416 1.496 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000281754872 443997643 /nfs/dbraw/zinc/99/76/43/443997643.db2.gz RFWIANOMFMIAEI-UHFFFAOYSA-N 2 2 334.855 1.510 20 0 EDADLP COCc1ncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000285476066 443999334 /nfs/dbraw/zinc/99/93/34/443999334.db2.gz HVNVHIASYZQEFU-UHFFFAOYSA-N 2 2 340.493 1.388 20 0 EDADLP COCc1ncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000285476066 443999337 /nfs/dbraw/zinc/99/93/37/443999337.db2.gz HVNVHIASYZQEFU-UHFFFAOYSA-N 2 2 340.493 1.388 20 0 EDADLP COC[C@H]1CC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000293540858 444048360 /nfs/dbraw/zinc/04/83/60/444048360.db2.gz KFGKUKKFAAFPDT-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP COC[C@H]1CC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000293540858 444048365 /nfs/dbraw/zinc/04/83/65/444048365.db2.gz KFGKUKKFAAFPDT-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP COC[C@H]1CC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000293540858 444048367 /nfs/dbraw/zinc/04/83/67/444048367.db2.gz KFGKUKKFAAFPDT-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP COC[C@H]1CC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000293540858 444048371 /nfs/dbraw/zinc/04/83/71/444048371.db2.gz KFGKUKKFAAFPDT-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP O=C(C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000299287842 444007335 /nfs/dbraw/zinc/00/73/35/444007335.db2.gz YCNVXJPKISZQOR-RBUKOAKNSA-N 2 2 343.471 1.584 20 0 EDADLP O=C(C[N@H+]1CCO[C@@H]2CCC[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000299287842 444007338 /nfs/dbraw/zinc/00/73/38/444007338.db2.gz YCNVXJPKISZQOR-RBUKOAKNSA-N 2 2 343.471 1.584 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000277624561 444013959 /nfs/dbraw/zinc/01/39/59/444013959.db2.gz WPWBYEDXJWJHHT-DOTOQJQBSA-N 2 2 343.475 1.976 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000277624561 444013965 /nfs/dbraw/zinc/01/39/65/444013965.db2.gz WPWBYEDXJWJHHT-DOTOQJQBSA-N 2 2 343.475 1.976 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000560999793 321030686 /nfs/dbraw/zinc/03/06/86/321030686.db2.gz SXRBTORZNUTFQU-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000561128786 321034091 /nfs/dbraw/zinc/03/40/91/321034091.db2.gz ONFRKGYNTNGCTA-HFZWIWRYSA-N 2 2 327.432 1.692 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C[NH2+]1 ZINC000561131903 321034407 /nfs/dbraw/zinc/03/44/07/321034407.db2.gz IGMNCSOGLGTNME-HZPDHXFCSA-N 2 2 346.475 1.411 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000561145445 321034963 /nfs/dbraw/zinc/03/49/63/321034963.db2.gz YTEMDASYCUBUAF-MSOLQXFVSA-N 2 2 339.443 1.682 20 0 EDADLP COC[C@]1(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)CCC[NH2+]1 ZINC000562816702 321078515 /nfs/dbraw/zinc/07/85/15/321078515.db2.gz RKAGUSVUTWVHJM-SUMWQHHRSA-N 2 2 335.452 1.281 20 0 EDADLP CCOc1cc(C)ccc1C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000562989268 321085462 /nfs/dbraw/zinc/08/54/62/321085462.db2.gz GLLZFTDRFWYSNQ-NUJGCVRESA-N 2 2 336.476 1.953 20 0 EDADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000289264329 444090770 /nfs/dbraw/zinc/09/07/70/444090770.db2.gz OPOXFHSVXIXCAX-LSDHHAIUSA-N 2 2 335.423 1.751 20 0 EDADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000289264329 444090771 /nfs/dbraw/zinc/09/07/71/444090771.db2.gz OPOXFHSVXIXCAX-LSDHHAIUSA-N 2 2 335.423 1.751 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)NC(C)(C)C[NH3+])c2cccs2)CC1 ZINC000564430505 321131027 /nfs/dbraw/zinc/13/10/27/321131027.db2.gz LDNQSPUFKUYTIU-CYBMUJFWSA-N 2 2 339.509 1.073 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000564731785 321143884 /nfs/dbraw/zinc/14/38/84/321143884.db2.gz IOBKJVKCAMQTDS-UHFFFAOYSA-N 2 2 339.443 1.562 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000564855286 321151607 /nfs/dbraw/zinc/15/16/07/321151607.db2.gz DVLNHJFQTMNVNC-JKSUJKDBSA-N 2 2 336.432 1.287 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000564855286 321151609 /nfs/dbraw/zinc/15/16/09/321151609.db2.gz DVLNHJFQTMNVNC-JKSUJKDBSA-N 2 2 336.432 1.287 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000565046814 321166778 /nfs/dbraw/zinc/16/67/78/321166778.db2.gz URXNEEBDFCFEQX-HOTGVXAUSA-N 2 2 345.409 1.487 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000565046814 321166780 /nfs/dbraw/zinc/16/67/80/321166780.db2.gz URXNEEBDFCFEQX-HOTGVXAUSA-N 2 2 345.409 1.487 20 0 EDADLP C[C@@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)[NH+]1CC(C)C1 ZINC000565170829 321172633 /nfs/dbraw/zinc/17/26/33/321172633.db2.gz JFFZFEZTBUKLRB-INIZCTEOSA-N 2 2 341.459 1.319 20 0 EDADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC(F)F ZINC000565607826 321193870 /nfs/dbraw/zinc/19/38/70/321193870.db2.gz BGBZZOJFYMDRMY-NEPJUHHUSA-N 2 2 341.358 1.040 20 0 EDADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC(F)F ZINC000565607826 321193871 /nfs/dbraw/zinc/19/38/71/321193871.db2.gz BGBZZOJFYMDRMY-NEPJUHHUSA-N 2 2 341.358 1.040 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOC2CCCCCC2)C[C@@H](C)O1 ZINC000565655642 321195489 /nfs/dbraw/zinc/19/54/89/321195489.db2.gz VZHAQBFKSVCCQL-ZACQAIPSSA-N 2 2 328.497 1.786 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCSCC(F)(F)F)C[C@@H](C)O1 ZINC000567685515 321252272 /nfs/dbraw/zinc/25/22/72/321252272.db2.gz BRVQUSDSUPWPFV-IJLUTSLNSA-N 2 2 330.416 1.342 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](c2cccnc2)C1)[NH+]1CCOCC1 ZINC000567730645 321255689 /nfs/dbraw/zinc/25/56/89/321255689.db2.gz LOAMHRUGCBAJST-KRWDZBQOSA-N 2 2 346.475 1.098 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](c2cccnc2)C1)[NH+]1CCOCC1 ZINC000567730645 321255690 /nfs/dbraw/zinc/25/56/90/321255690.db2.gz LOAMHRUGCBAJST-KRWDZBQOSA-N 2 2 346.475 1.098 20 0 EDADLP C[C@H](CC(=O)NCCCNC(=O)C[C@@H](C)n1cc[nH+]c1)n1cc[nH+]c1 ZINC000568040612 321273924 /nfs/dbraw/zinc/27/39/24/321273924.db2.gz ZTZFABKXUPRKBP-HUUCEWRRSA-N 2 2 346.435 1.305 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cncc(Br)c1 ZINC000569021154 321315223 /nfs/dbraw/zinc/31/52/23/321315223.db2.gz OGZNBSFMCIPYCS-BXUZGUMPSA-N 2 2 327.270 1.741 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cncc(Br)c1 ZINC000569021154 321315224 /nfs/dbraw/zinc/31/52/24/321315224.db2.gz OGZNBSFMCIPYCS-BXUZGUMPSA-N 2 2 327.270 1.741 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000568261867 321284735 /nfs/dbraw/zinc/28/47/35/321284735.db2.gz UKYBBPYETBZTFZ-OAHLLOKOSA-N 2 2 332.448 1.055 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2CCC([NH3+])CC2)[NH+]2CCOCC2)cc1 ZINC000571506124 321388983 /nfs/dbraw/zinc/38/89/83/321388983.db2.gz JRXGMKCKFAXUOW-SFHVURJKSA-N 2 2 346.475 1.501 20 0 EDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000299651467 444105836 /nfs/dbraw/zinc/10/58/36/444105836.db2.gz KSWZWIUHLBHLOQ-KRWDZBQOSA-N 2 2 341.459 1.600 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Br)cn1 ZINC000289340018 444111888 /nfs/dbraw/zinc/11/18/88/444111888.db2.gz FSVNNAMPDZIHHW-GWCFXTLKSA-N 2 2 328.254 1.950 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Br)cn1 ZINC000289340018 444111892 /nfs/dbraw/zinc/11/18/92/444111892.db2.gz FSVNNAMPDZIHHW-GWCFXTLKSA-N 2 2 328.254 1.950 20 0 EDADLP CN1CC[C@H]([NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000285805689 444113677 /nfs/dbraw/zinc/11/36/77/444113677.db2.gz GAFLILQZZGUJTR-MOPGFXCFSA-N 2 2 342.487 1.109 20 0 EDADLP CN1CC[C@H]([NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000285805689 444113679 /nfs/dbraw/zinc/11/36/79/444113679.db2.gz GAFLILQZZGUJTR-MOPGFXCFSA-N 2 2 342.487 1.109 20 0 EDADLP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289359022 444116815 /nfs/dbraw/zinc/11/68/15/444116815.db2.gz NXPWXIRFKHKFRX-JKSUJKDBSA-N 2 2 337.464 1.634 20 0 EDADLP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289359022 444116818 /nfs/dbraw/zinc/11/68/18/444116818.db2.gz NXPWXIRFKHKFRX-JKSUJKDBSA-N 2 2 337.464 1.634 20 0 EDADLP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000289415553 444136229 /nfs/dbraw/zinc/13/62/29/444136229.db2.gz PXFMPKSLEAVTLC-FHLIZLRMSA-N 2 2 339.430 1.755 20 0 EDADLP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000289415553 444136233 /nfs/dbraw/zinc/13/62/33/444136233.db2.gz PXFMPKSLEAVTLC-FHLIZLRMSA-N 2 2 339.430 1.755 20 0 EDADLP C[N@H+](C[C@H](O)CN[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415553 444136237 /nfs/dbraw/zinc/13/62/37/444136237.db2.gz PXFMPKSLEAVTLC-FHLIZLRMSA-N 2 2 339.430 1.755 20 0 EDADLP C[N@@H+](C[C@H](O)CN[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415553 444136240 /nfs/dbraw/zinc/13/62/40/444136240.db2.gz PXFMPKSLEAVTLC-FHLIZLRMSA-N 2 2 339.430 1.755 20 0 EDADLP C[NH+](C[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415553 444136245 /nfs/dbraw/zinc/13/62/45/444136245.db2.gz PXFMPKSLEAVTLC-FHLIZLRMSA-N 2 2 339.430 1.755 20 0 EDADLP C[NH+](C[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415553 444136250 /nfs/dbraw/zinc/13/62/50/444136250.db2.gz PXFMPKSLEAVTLC-FHLIZLRMSA-N 2 2 339.430 1.755 20 0 EDADLP CC(C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@H](O)COc1ccccc1 ZINC000289470882 444152465 /nfs/dbraw/zinc/15/24/65/444152465.db2.gz HHUDMVUTIZWEQS-MSOLQXFVSA-N 2 2 336.476 1.592 20 0 EDADLP CC(C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@H](O)COc1ccccc1 ZINC000289470882 444152469 /nfs/dbraw/zinc/15/24/69/444152469.db2.gz HHUDMVUTIZWEQS-MSOLQXFVSA-N 2 2 336.476 1.592 20 0 EDADLP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H](O)COc1ccccc1 ZINC000289470882 444152473 /nfs/dbraw/zinc/15/24/73/444152473.db2.gz HHUDMVUTIZWEQS-MSOLQXFVSA-N 2 2 336.476 1.592 20 0 EDADLP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H](O)COc1ccccc1 ZINC000289470882 444152476 /nfs/dbraw/zinc/15/24/76/444152476.db2.gz HHUDMVUTIZWEQS-MSOLQXFVSA-N 2 2 336.476 1.592 20 0 EDADLP C[N@H+](C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1)C1CC1 ZINC000289385231 444126493 /nfs/dbraw/zinc/12/64/93/444126493.db2.gz LTXSDCCGKURMDZ-ZCNNSNEGSA-N 2 2 345.487 1.027 20 0 EDADLP C[N@@H+](C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1)C1CC1 ZINC000289385231 444126494 /nfs/dbraw/zinc/12/64/94/444126494.db2.gz LTXSDCCGKURMDZ-ZCNNSNEGSA-N 2 2 345.487 1.027 20 0 EDADLP C[NH+](C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C1CC1 ZINC000289385231 444126496 /nfs/dbraw/zinc/12/64/96/444126496.db2.gz LTXSDCCGKURMDZ-ZCNNSNEGSA-N 2 2 345.487 1.027 20 0 EDADLP C[NH+](C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C1CC1 ZINC000289385231 444126498 /nfs/dbraw/zinc/12/64/98/444126498.db2.gz LTXSDCCGKURMDZ-ZCNNSNEGSA-N 2 2 345.487 1.027 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000302473783 444214584 /nfs/dbraw/zinc/21/45/84/444214584.db2.gz DPEAPJQXZIOTEH-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000575235258 321519859 /nfs/dbraw/zinc/51/98/59/321519859.db2.gz WVGHSEIYHMBWDC-GDBMZVCRSA-N 2 2 331.464 1.869 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301516708 444176832 /nfs/dbraw/zinc/17/68/32/444176832.db2.gz KAEGVWTUFGHMOC-MRXNPFEDSA-N 2 2 332.496 1.905 20 0 EDADLP Nc1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)[nH+]c2ccccc12 ZINC000301786580 444190654 /nfs/dbraw/zinc/19/06/54/444190654.db2.gz PEXHNUQQUDDPLO-CQSZACIVSA-N 2 2 327.432 1.761 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCC(C)(F)F)([NH+]2CCCCC2)CC1 ZINC000576440718 321566081 /nfs/dbraw/zinc/56/60/81/321566081.db2.gz HXOFMOCFEFEQGN-UHFFFAOYSA-N 2 2 332.439 1.891 20 0 EDADLP CC[C@@](C)(CCO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000305138239 444260401 /nfs/dbraw/zinc/26/04/01/444260401.db2.gz GXJOXAXFXCPKMA-SFHVURJKSA-N 2 2 340.512 1.395 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@](C)(O)C[NH+](C)C)CC1 ZINC000305205429 444264821 /nfs/dbraw/zinc/26/48/21/444264821.db2.gz CLDDPBJUDGNYKN-IBGZPJMESA-N 3 2 334.508 1.231 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]21 ZINC000302879829 444228940 /nfs/dbraw/zinc/22/89/40/444228940.db2.gz HDNFKNHDOQDFTO-GJZGRUSLSA-N 2 2 333.505 1.950 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]21 ZINC000302879829 444228942 /nfs/dbraw/zinc/22/89/42/444228942.db2.gz HDNFKNHDOQDFTO-GJZGRUSLSA-N 2 2 333.505 1.950 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)CC[C@@H]21 ZINC000302879829 444228944 /nfs/dbraw/zinc/22/89/44/444228944.db2.gz HDNFKNHDOQDFTO-GJZGRUSLSA-N 2 2 333.505 1.950 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)CC[C@@H]21 ZINC000302879829 444228947 /nfs/dbraw/zinc/22/89/47/444228947.db2.gz HDNFKNHDOQDFTO-GJZGRUSLSA-N 2 2 333.505 1.950 20 0 EDADLP C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)CS2 ZINC000577143193 321626565 /nfs/dbraw/zinc/62/65/65/321626565.db2.gz WAGFVVWNHOWYKF-XJKSGUPXSA-N 2 2 343.412 1.660 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000290125104 444245107 /nfs/dbraw/zinc/24/51/07/444245107.db2.gz ZSFZLJZABTUYHO-QLFBSQMISA-N 2 2 337.489 1.626 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H]1[NH+]1CCOCC1 ZINC000290638526 444304505 /nfs/dbraw/zinc/30/45/05/444304505.db2.gz JJAUZORHPYPTEL-DZGCQCFKSA-N 2 2 329.404 1.519 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000577495710 321657730 /nfs/dbraw/zinc/65/77/30/321657730.db2.gz BCIBUJSDVVGSTJ-DLBZAZTESA-N 2 2 345.487 1.876 20 0 EDADLP C[N@@H+]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C[NH3+])C1 ZINC000316839958 444312585 /nfs/dbraw/zinc/31/25/85/444312585.db2.gz ZUZTXYKKVYEARS-CYBMUJFWSA-N 2 2 325.840 1.576 20 0 EDADLP C[N@H+]1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C[NH3+])C1 ZINC000316839958 444312587 /nfs/dbraw/zinc/31/25/87/444312587.db2.gz ZUZTXYKKVYEARS-CYBMUJFWSA-N 2 2 325.840 1.576 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000290790196 444323288 /nfs/dbraw/zinc/32/32/88/444323288.db2.gz UPJZASHLDTWCOT-CVEARBPZSA-N 2 2 343.431 1.834 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000305712838 444274474 /nfs/dbraw/zinc/27/44/74/444274474.db2.gz FXSGFFNTUWTUEN-DLBZAZTESA-N 2 2 335.423 1.273 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000305712838 444274475 /nfs/dbraw/zinc/27/44/75/444274475.db2.gz FXSGFFNTUWTUEN-DLBZAZTESA-N 2 2 335.423 1.273 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000305765410 444278865 /nfs/dbraw/zinc/27/88/65/444278865.db2.gz QMWBRFJRVCPZGU-LSDHHAIUSA-N 2 2 337.489 1.410 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000305765410 444278868 /nfs/dbraw/zinc/27/88/68/444278868.db2.gz QMWBRFJRVCPZGU-LSDHHAIUSA-N 2 2 337.489 1.410 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)n1C ZINC000310055194 444290731 /nfs/dbraw/zinc/29/07/31/444290731.db2.gz AEAIUGHYQXHGMN-UHFFFAOYSA-N 2 2 337.468 1.975 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000297544882 444299116 /nfs/dbraw/zinc/29/91/16/444299116.db2.gz BUVSNZTUDDHDLD-HNNXBMFYSA-N 2 2 342.443 1.729 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000297544882 444299117 /nfs/dbraw/zinc/29/91/17/444299117.db2.gz BUVSNZTUDDHDLD-HNNXBMFYSA-N 2 2 342.443 1.729 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340506834 444416752 /nfs/dbraw/zinc/41/67/52/444416752.db2.gz UKXPPFLCPCOZOM-MSOLQXFVSA-N 2 2 329.448 1.066 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340506834 444416754 /nfs/dbraw/zinc/41/67/54/444416754.db2.gz UKXPPFLCPCOZOM-MSOLQXFVSA-N 2 2 329.448 1.066 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)no1 ZINC000340515306 444421049 /nfs/dbraw/zinc/42/10/49/444421049.db2.gz UDKCTBPXPAAHHA-MAUKXSAKSA-N 2 2 344.459 1.923 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000328886083 444388276 /nfs/dbraw/zinc/38/82/76/444388276.db2.gz ZOLCDRLQQFXTDM-YVSFHVDLSA-N 2 2 348.491 1.870 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000328886083 444388279 /nfs/dbraw/zinc/38/82/79/444388279.db2.gz ZOLCDRLQQFXTDM-YVSFHVDLSA-N 2 2 348.491 1.870 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)CCCC[NH3+])c2[nH+]ccn2C)c1 ZINC000579001588 321868498 /nfs/dbraw/zinc/86/84/98/321868498.db2.gz KSPWTHXOOLRXMI-QGZVFWFLSA-N 2 2 346.431 1.772 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(NCCn2cc[nH+]c2)n1 ZINC000328627072 444400342 /nfs/dbraw/zinc/40/03/42/444400342.db2.gz FUDJBOQYKOJYKO-GDBMZVCRSA-N 2 2 330.436 2.401 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C[C@@H]12 ZINC000579811961 321972778 /nfs/dbraw/zinc/97/27/78/321972778.db2.gz CKBLJIKJCKXLMT-KZNAEPCWSA-N 2 2 339.443 1.810 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340709017 444485273 /nfs/dbraw/zinc/48/52/73/444485273.db2.gz GSHWVEXJHJLUMT-CVEARBPZSA-N 2 2 333.480 1.722 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000580711750 322085905 /nfs/dbraw/zinc/08/59/05/322085905.db2.gz MYCANWBHXMZRIU-HNNXBMFYSA-N 2 2 334.445 1.400 20 0 EDADLP CCSc1cc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000580948407 322115786 /nfs/dbraw/zinc/11/57/86/322115786.db2.gz XRFQRJBXIZLTQX-LZWOXQAQSA-N 2 2 339.505 1.753 20 0 EDADLP CCSc1cc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000580948407 322115788 /nfs/dbraw/zinc/11/57/88/322115788.db2.gz XRFQRJBXIZLTQX-LZWOXQAQSA-N 2 2 339.505 1.753 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000581132426 322140222 /nfs/dbraw/zinc/14/02/22/322140222.db2.gz IOFWCICKXQTDCQ-AZUAARDMSA-N 3 2 344.503 1.481 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000581132426 322140224 /nfs/dbraw/zinc/14/02/24/322140224.db2.gz IOFWCICKXQTDCQ-AZUAARDMSA-N 3 2 344.503 1.481 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCOCC2CCC2)CC1 ZINC000581224986 322150679 /nfs/dbraw/zinc/15/06/79/322150679.db2.gz WBKQEZHYVZZZDH-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H](CNC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000581246214 322154292 /nfs/dbraw/zinc/15/42/92/322154292.db2.gz LZNDDZBEGPIOJM-PNYFIKQUSA-N 2 2 349.519 1.567 20 0 EDADLP C[C@@H](CNC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000581246214 322154294 /nfs/dbraw/zinc/15/42/94/322154294.db2.gz LZNDDZBEGPIOJM-PNYFIKQUSA-N 2 2 349.519 1.567 20 0 EDADLP C[C@@H](CNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000581246214 322154297 /nfs/dbraw/zinc/15/42/97/322154297.db2.gz LZNDDZBEGPIOJM-PNYFIKQUSA-N 2 2 349.519 1.567 20 0 EDADLP C[C@@H](CNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000581246214 322154300 /nfs/dbraw/zinc/15/43/00/322154300.db2.gz LZNDDZBEGPIOJM-PNYFIKQUSA-N 2 2 349.519 1.567 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@H+]3C)ccc2n1C ZINC000581660699 322204648 /nfs/dbraw/zinc/20/46/48/322204648.db2.gz WBIBJNOEHOJUPF-AWEZNQCLSA-N 2 2 343.431 1.373 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000581777561 322219419 /nfs/dbraw/zinc/21/94/19/322219419.db2.gz VGKKYCLKEXFPBJ-QSFKDOLUSA-N 2 2 331.464 1.963 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)[C@H](C[NH3+])C1 ZINC000581873825 322226550 /nfs/dbraw/zinc/22/65/50/322226550.db2.gz KJAVZWCNPAIRSE-ZNMIVQPWSA-N 2 2 326.485 1.112 20 0 EDADLP C[C@H](CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)C[NH+]1CCOCC1 ZINC000581926742 322233287 /nfs/dbraw/zinc/23/32/87/322233287.db2.gz FBWSJKRMIUVRLJ-HUUCEWRRSA-N 2 2 349.479 1.481 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CC[C@@H]([NH+]4CCCCC4)C3)nc[nH+]2)C1 ZINC000329268575 444517617 /nfs/dbraw/zinc/51/76/17/444517617.db2.gz GQWMFKOYFRQEPC-IAGOWNOFSA-N 2 2 345.491 1.750 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338180375 444551828 /nfs/dbraw/zinc/55/18/28/444551828.db2.gz HUXXGAIOPPGDGN-MOPGFXCFSA-N 2 2 325.460 1.596 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338180375 444551829 /nfs/dbraw/zinc/55/18/29/444551829.db2.gz HUXXGAIOPPGDGN-MOPGFXCFSA-N 2 2 325.460 1.596 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000332884883 444586043 /nfs/dbraw/zinc/58/60/43/444586043.db2.gz FZEPPWMFKFJFEB-GJZGRUSLSA-N 2 2 331.464 1.927 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000332884883 444586045 /nfs/dbraw/zinc/58/60/45/444586045.db2.gz FZEPPWMFKFJFEB-GJZGRUSLSA-N 2 2 331.464 1.927 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000340961895 444599937 /nfs/dbraw/zinc/59/99/37/444599937.db2.gz LHHUIZFUJLOAMH-AWEZNQCLSA-N 2 2 330.432 1.436 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000340961895 444599939 /nfs/dbraw/zinc/59/99/39/444599939.db2.gz LHHUIZFUJLOAMH-AWEZNQCLSA-N 2 2 330.432 1.436 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1C ZINC000340966510 444604208 /nfs/dbraw/zinc/60/42/08/444604208.db2.gz VDYGNPLYOGFXSS-ZBFHGGJFSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000340966510 444604210 /nfs/dbraw/zinc/60/42/10/444604210.db2.gz VDYGNPLYOGFXSS-ZBFHGGJFSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1C[N@H+](CCCO[C@@H]2CCCCO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000338283711 444611215 /nfs/dbraw/zinc/61/12/15/444611215.db2.gz SVWNEBITDHQSEM-GUDVDZBRSA-N 2 2 339.524 1.878 20 0 EDADLP C[C@@H]1C[N@@H+](CCCO[C@@H]2CCCCO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000338283711 444611218 /nfs/dbraw/zinc/61/12/18/444611218.db2.gz SVWNEBITDHQSEM-GUDVDZBRSA-N 2 2 339.524 1.878 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCn2cc[nH+]c2C1 ZINC000332998492 444625871 /nfs/dbraw/zinc/62/58/71/444625871.db2.gz HYLOICIVDUEESQ-JKSUJKDBSA-N 2 2 347.463 1.176 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)C1 ZINC000343922155 444671339 /nfs/dbraw/zinc/67/13/39/444671339.db2.gz TZQMVSZCYROOKZ-APWZRJJASA-N 2 2 344.503 1.785 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)C1 ZINC000343922155 444671340 /nfs/dbraw/zinc/67/13/40/444671340.db2.gz TZQMVSZCYROOKZ-APWZRJJASA-N 2 2 344.503 1.785 20 0 EDADLP CCCCN(CC)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343927588 444675059 /nfs/dbraw/zinc/67/50/59/444675059.db2.gz SHUHGNOBCQTLBI-ROUUACIJSA-N 2 2 338.540 1.593 20 0 EDADLP CCCCN(CC)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343927588 444675064 /nfs/dbraw/zinc/67/50/64/444675064.db2.gz SHUHGNOBCQTLBI-ROUUACIJSA-N 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20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000342474138 444706773 /nfs/dbraw/zinc/70/67/73/444706773.db2.gz PBAYINPPAPAHOS-XCDZQEORSA-N 2 2 337.508 1.423 20 0 EDADLP COCc1cnc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)s1 ZINC000342615663 444777502 /nfs/dbraw/zinc/77/75/02/444777502.db2.gz LFOWAAHRQSWKDL-UHFFFAOYSA-N 2 2 340.493 1.179 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cn1 ZINC000341331550 444782056 /nfs/dbraw/zinc/78/20/56/444782056.db2.gz OXOLBKIUWSRBCU-IUODEOHRSA-N 2 2 331.395 1.796 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)C1CC1 ZINC000336876575 444822659 /nfs/dbraw/zinc/82/26/59/444822659.db2.gz TWOOGLHDFXOCCY-WMZOPIPTSA-N 2 2 326.481 1.492 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)C1CC1 ZINC000336876575 444822665 /nfs/dbraw/zinc/82/26/65/444822665.db2.gz TWOOGLHDFXOCCY-WMZOPIPTSA-N 2 2 326.481 1.492 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+]CC3(F)F)CC2)c1 ZINC000342721810 444835128 /nfs/dbraw/zinc/83/51/28/444835128.db2.gz AKJJOLYMLZBEJR-MRXNPFEDSA-N 2 2 337.414 1.884 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342728537 444837832 /nfs/dbraw/zinc/83/78/32/444837832.db2.gz NFRQOKVUBNSKMS-MRXNPFEDSA-N 2 2 347.507 1.806 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342728537 444837838 /nfs/dbraw/zinc/83/78/38/444837838.db2.gz NFRQOKVUBNSKMS-MRXNPFEDSA-N 2 2 347.507 1.806 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000341494891 444859820 /nfs/dbraw/zinc/85/98/20/444859820.db2.gz JMCMAVIVBVRVNM-BHUNQDJPSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000341494891 444859821 /nfs/dbraw/zinc/85/98/21/444859821.db2.gz JMCMAVIVBVRVNM-BHUNQDJPSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000337318876 445031088 /nfs/dbraw/zinc/03/10/88/445031088.db2.gz NDVYRSBJGZGSSZ-SFHVURJKSA-N 2 2 338.540 1.198 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000337318876 445031093 /nfs/dbraw/zinc/03/10/93/445031093.db2.gz NDVYRSBJGZGSSZ-SFHVURJKSA-N 2 2 338.540 1.198 20 0 EDADLP CC[C@H](C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(=O)OC ZINC000337230670 444995336 /nfs/dbraw/zinc/99/53/36/444995336.db2.gz IOWUEMYETPMPOL-AWEZNQCLSA-N 2 2 327.469 1.249 20 0 EDADLP CC[C@H](C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(=O)OC ZINC000337230670 444995342 /nfs/dbraw/zinc/99/53/42/444995342.db2.gz IOWUEMYETPMPOL-AWEZNQCLSA-N 2 2 327.469 1.249 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC[C@@H]3CNS(C)(=O)=O)n2c1 ZINC000337279296 445013333 /nfs/dbraw/zinc/01/33/33/445013333.db2.gz IAIWMIIPNHFUKX-UKRRQHHQSA-N 2 2 336.461 1.450 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000337359588 445047442 /nfs/dbraw/zinc/04/74/42/445047442.db2.gz DYGMTINVWYUYOG-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCC[NH+]3CCC3)c2)CCO1 ZINC000337376007 445054291 /nfs/dbraw/zinc/05/42/91/445054291.db2.gz BEBFFBKKEAJOHU-INIZCTEOSA-N 2 2 346.475 1.412 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC[NH+]3CCC3)c2)CCO1 ZINC000337376007 445054296 /nfs/dbraw/zinc/05/42/96/445054296.db2.gz BEBFFBKKEAJOHU-INIZCTEOSA-N 2 2 346.475 1.412 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000341891496 445055905 /nfs/dbraw/zinc/05/59/05/445055905.db2.gz YPMWWTNXMUBLIU-INIZCTEOSA-N 2 2 332.448 1.007 20 0 EDADLP CN(C(=O)c1cc[nH]n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339170247 445071224 /nfs/dbraw/zinc/07/12/24/445071224.db2.gz JNRFUSATZWFIGR-IAGOWNOFSA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1cc[nH]n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339170247 445071227 /nfs/dbraw/zinc/07/12/27/445071227.db2.gz JNRFUSATZWFIGR-IAGOWNOFSA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1ccn[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339170247 445071231 /nfs/dbraw/zinc/07/12/31/445071231.db2.gz JNRFUSATZWFIGR-IAGOWNOFSA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1ccn[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339170247 445071234 /nfs/dbraw/zinc/07/12/34/445071234.db2.gz JNRFUSATZWFIGR-IAGOWNOFSA-N 2 2 333.480 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339251488 445115710 /nfs/dbraw/zinc/11/57/10/445115710.db2.gz BAEGKTLIGRRUEM-KSZLIROESA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339251488 445115712 /nfs/dbraw/zinc/11/57/12/445115712.db2.gz BAEGKTLIGRRUEM-KSZLIROESA-N 2 2 337.508 1.963 20 0 EDADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c(C)c1OC ZINC000342107277 445175212 /nfs/dbraw/zinc/17/52/12/445175212.db2.gz SQSPIHDBFYPAJX-OAHLLOKOSA-N 2 2 335.448 1.442 20 0 EDADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c(C)c1OC ZINC000342107277 445175213 /nfs/dbraw/zinc/17/52/13/445175213.db2.gz SQSPIHDBFYPAJX-OAHLLOKOSA-N 2 2 335.448 1.442 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)CC1 ZINC000337640512 445182216 /nfs/dbraw/zinc/18/22/16/445182216.db2.gz FKRBCSXCZACFAE-IBGZPJMESA-N 2 2 345.487 1.833 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)CC1 ZINC000337640512 445182222 /nfs/dbraw/zinc/18/22/22/445182222.db2.gz FKRBCSXCZACFAE-IBGZPJMESA-N 2 2 345.487 1.833 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000344774584 445142031 /nfs/dbraw/zinc/14/20/31/445142031.db2.gz NEQWZXMRXBASNE-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000344774584 445142032 /nfs/dbraw/zinc/14/20/32/445142032.db2.gz NEQWZXMRXBASNE-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337571831 445144597 /nfs/dbraw/zinc/14/45/97/445144597.db2.gz ZPUCXYQRLDTLBK-HOCLYGCPSA-N 2 2 327.432 1.803 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337571831 445144602 /nfs/dbraw/zinc/14/46/02/445144602.db2.gz ZPUCXYQRLDTLBK-HOCLYGCPSA-N 2 2 327.432 1.803 20 0 EDADLP C[N@H+](CC(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCSC1 ZINC000343244411 445157603 /nfs/dbraw/zinc/15/76/03/445157603.db2.gz HVMUEPJKVHYQKG-SNVBAGLBSA-N 2 2 336.383 1.499 20 0 EDADLP C[N@@H+](CC(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCSC1 ZINC000343244411 445157610 /nfs/dbraw/zinc/15/76/10/445157610.db2.gz HVMUEPJKVHYQKG-SNVBAGLBSA-N 2 2 336.383 1.499 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000343397627 445215905 /nfs/dbraw/zinc/21/59/05/445215905.db2.gz UARXSYSDHKYTRV-JZXOWHBKSA-N 2 2 348.491 1.699 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000343397627 445215906 /nfs/dbraw/zinc/21/59/06/445215906.db2.gz UARXSYSDHKYTRV-JZXOWHBKSA-N 2 2 348.491 1.699 20 0 EDADLP CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000343401969 445216235 /nfs/dbraw/zinc/21/62/35/445216235.db2.gz WBPLAFIVNOVFCV-OAHLLOKOSA-N 2 2 348.447 1.004 20 0 EDADLP CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000343401969 445216237 /nfs/dbraw/zinc/21/62/37/445216237.db2.gz WBPLAFIVNOVFCV-OAHLLOKOSA-N 2 2 348.447 1.004 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346491115 445216617 /nfs/dbraw/zinc/21/66/17/445216617.db2.gz OXAZEQKXBYJOBL-SZMVWBNQSA-N 2 2 337.508 1.674 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)[C@@H](C)C1 ZINC000346561599 445218391 /nfs/dbraw/zinc/21/83/91/445218391.db2.gz KTFCJGOLYFNWSX-GOEBONIOSA-N 2 2 347.463 1.249 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)[C@@H](C)C1 ZINC000346561599 445218392 /nfs/dbraw/zinc/21/83/92/445218392.db2.gz KTFCJGOLYFNWSX-GOEBONIOSA-N 2 2 347.463 1.249 20 0 EDADLP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000343429130 445221436 /nfs/dbraw/zinc/22/14/36/445221436.db2.gz FOMRJIXCJWXMIZ-YJBOKZPZSA-N 2 2 330.476 1.114 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343532687 445239586 /nfs/dbraw/zinc/23/95/86/445239586.db2.gz GHRKBALAKFJYBV-KGLIPLIRSA-N 2 2 327.469 1.249 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343532687 445239587 /nfs/dbraw/zinc/23/95/87/445239587.db2.gz GHRKBALAKFJYBV-KGLIPLIRSA-N 2 2 327.469 1.249 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343532687 445239588 /nfs/dbraw/zinc/23/95/88/445239588.db2.gz GHRKBALAKFJYBV-KGLIPLIRSA-N 2 2 327.469 1.249 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343532687 445239590 /nfs/dbraw/zinc/23/95/90/445239590.db2.gz GHRKBALAKFJYBV-KGLIPLIRSA-N 2 2 327.469 1.249 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1OC ZINC000343557455 445243517 /nfs/dbraw/zinc/24/35/17/445243517.db2.gz CENGWFCHMWEMOY-DZGCQCFKSA-N 2 2 335.448 1.250 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000343557455 445243518 /nfs/dbraw/zinc/24/35/18/445243518.db2.gz CENGWFCHMWEMOY-DZGCQCFKSA-N 2 2 335.448 1.250 20 0 EDADLP CC[C@H](C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)OC)c1ccccc1 ZINC000343612212 445263431 /nfs/dbraw/zinc/26/34/31/445263431.db2.gz GDDCYSDOHHCMBB-GOSISDBHSA-N 2 2 347.503 1.903 20 0 EDADLP CC[C@H](C[N@@H+](CCN1CC[NH+](C)CC1)CC(=O)OC)c1ccccc1 ZINC000343612212 445263433 /nfs/dbraw/zinc/26/34/33/445263433.db2.gz GDDCYSDOHHCMBB-GOSISDBHSA-N 2 2 347.503 1.903 20 0 EDADLP COC(=O)CCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348089942 445264814 /nfs/dbraw/zinc/26/48/14/445264814.db2.gz SOTUQHKUMOFLTB-ZIAGYGMSSA-N 2 2 326.416 1.218 20 0 EDADLP COC(=O)CCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348089942 445264820 /nfs/dbraw/zinc/26/48/20/445264820.db2.gz SOTUQHKUMOFLTB-ZIAGYGMSSA-N 2 2 326.416 1.218 20 0 EDADLP CN(CC[NH+]1CCCCC1)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000348093177 445266046 /nfs/dbraw/zinc/26/60/46/445266046.db2.gz ZHAUJWZRVWWGTC-ROUUACIJSA-N 2 2 337.487 1.750 20 0 EDADLP CN(CC[NH+]1CCCCC1)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000348093177 445266047 /nfs/dbraw/zinc/26/60/47/445266047.db2.gz ZHAUJWZRVWWGTC-ROUUACIJSA-N 2 2 337.487 1.750 20 0 EDADLP O=C(C[NH2+][C@H]1CCC[C@@H]1CCO)N1CC[NH+](Cc2ccco2)CC1 ZINC000348181928 445307393 /nfs/dbraw/zinc/30/73/93/445307393.db2.gz KWJYHVYBYAVPLK-WBVHZDCISA-N 2 2 335.448 1.065 20 0 EDADLP CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000348233507 445324106 /nfs/dbraw/zinc/32/41/06/445324106.db2.gz JWZUODGJPMUMQG-LPHOPBHVSA-N 2 2 346.475 1.620 20 0 EDADLP CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000348233507 445324109 /nfs/dbraw/zinc/32/41/09/445324109.db2.gz JWZUODGJPMUMQG-LPHOPBHVSA-N 2 2 346.475 1.620 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@H+](C)Cc1ccc(F)cn1 ZINC000348112447 445273340 /nfs/dbraw/zinc/27/33/40/445273340.db2.gz FVXYOXLUJKNCAG-GDBMZVCRSA-N 2 2 335.402 1.999 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)Cc1ccc(F)cn1 ZINC000348112447 445273344 /nfs/dbraw/zinc/27/33/44/445273344.db2.gz FVXYOXLUJKNCAG-GDBMZVCRSA-N 2 2 335.402 1.999 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000343645098 445279095 /nfs/dbraw/zinc/27/90/95/445279095.db2.gz PWBIJIHXBPGOOI-UHFFFAOYSA-N 2 2 335.423 1.445 20 0 EDADLP Cc1ncccc1CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354556364 445293149 /nfs/dbraw/zinc/29/31/49/445293149.db2.gz CVROJMAHFMPCCV-HNNXBMFYSA-N 2 2 330.476 1.559 20 0 EDADLP Cc1ncccc1CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354556364 445293152 /nfs/dbraw/zinc/29/31/52/445293152.db2.gz CVROJMAHFMPCCV-HNNXBMFYSA-N 2 2 330.476 1.559 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC(C)(C)[NH+](C)C)c2)cc[nH+]1 ZINC000348452215 445295487 /nfs/dbraw/zinc/29/54/87/445295487.db2.gz BXEUAMOUMGGWAH-UHFFFAOYSA-N 2 2 341.459 2.467 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000348231398 445323421 /nfs/dbraw/zinc/32/34/21/445323421.db2.gz NRIXBYGKGSAURB-HZPDHXFCSA-N 2 2 325.478 1.773 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849123 445341750 /nfs/dbraw/zinc/34/17/50/445341750.db2.gz FOTVQHBBEFLYLL-NWDGAFQWSA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849123 445341753 /nfs/dbraw/zinc/34/17/53/445341753.db2.gz FOTVQHBBEFLYLL-NWDGAFQWSA-N 2 2 337.420 1.320 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000351855414 445344541 /nfs/dbraw/zinc/34/45/41/445344541.db2.gz TXBKYFJBZLDDST-GXTWGEPZSA-N 2 2 330.432 1.186 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000351855414 445344542 /nfs/dbraw/zinc/34/45/42/445344542.db2.gz TXBKYFJBZLDDST-GXTWGEPZSA-N 2 2 330.432 1.186 20 0 EDADLP FC(F)(F)C1CC([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000348680799 445347026 /nfs/dbraw/zinc/34/70/26/445347026.db2.gz KPSLEGBPPPFTDU-UHFFFAOYSA-N 2 2 335.414 1.714 20 0 EDADLP FC(F)(F)C1CC([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000348680799 445347029 /nfs/dbraw/zinc/34/70/29/445347029.db2.gz KPSLEGBPPPFTDU-UHFFFAOYSA-N 2 2 335.414 1.714 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864521 445347263 /nfs/dbraw/zinc/34/72/63/445347263.db2.gz YKJKFVQWEYWLNH-RDJZCZTQSA-N 3 2 346.475 1.126 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864521 445347266 /nfs/dbraw/zinc/34/72/66/445347266.db2.gz YKJKFVQWEYWLNH-RDJZCZTQSA-N 2 2 346.475 1.126 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864521 445347268 /nfs/dbraw/zinc/34/72/68/445347268.db2.gz YKJKFVQWEYWLNH-RDJZCZTQSA-N 2 2 346.475 1.126 20 0 EDADLP CNC(=O)c1cccnc1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354729296 445353524 /nfs/dbraw/zinc/35/35/24/445353524.db2.gz IYCZLZSJORCKND-AWEZNQCLSA-N 2 2 331.464 1.046 20 0 EDADLP CNC(=O)c1cccnc1N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354729296 445353529 /nfs/dbraw/zinc/35/35/29/445353529.db2.gz IYCZLZSJORCKND-AWEZNQCLSA-N 2 2 331.464 1.046 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCCc1nc2ccccc2s1 ZINC000357071107 445407012 /nfs/dbraw/zinc/40/70/12/445407012.db2.gz BNBBFBDVSOXZGU-UONOGXRCSA-N 2 2 344.484 1.496 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCCc1nc2ccccc2s1 ZINC000357071107 445407016 /nfs/dbraw/zinc/40/70/16/445407016.db2.gz BNBBFBDVSOXZGU-UONOGXRCSA-N 2 2 344.484 1.496 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357072424 445408100 /nfs/dbraw/zinc/40/81/00/445408100.db2.gz HHAYWBZWGWIIHX-MSOLQXFVSA-N 2 2 345.487 1.674 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357072424 445408106 /nfs/dbraw/zinc/40/81/06/445408106.db2.gz HHAYWBZWGWIIHX-MSOLQXFVSA-N 2 2 345.487 1.674 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000359760152 445413614 /nfs/dbraw/zinc/41/36/14/445413614.db2.gz GFQNWLATYCXWGO-RDJZCZTQSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000359760152 445413619 /nfs/dbraw/zinc/41/36/19/445413619.db2.gz GFQNWLATYCXWGO-RDJZCZTQSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000359760152 445413623 /nfs/dbraw/zinc/41/36/23/445413623.db2.gz GFQNWLATYCXWGO-RDJZCZTQSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000359760152 445413626 /nfs/dbraw/zinc/41/36/26/445413626.db2.gz GFQNWLATYCXWGO-RDJZCZTQSA-N 2 2 325.497 1.866 20 0 EDADLP CN(C[C@H]1OCC[N@H+](C)[C@@H]1c1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000348858151 445418469 /nfs/dbraw/zinc/41/84/69/445418469.db2.gz DRMGTZUVFHKVSL-VQIMIIECSA-N 2 2 342.443 1.873 20 0 EDADLP CN(C[C@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000348858151 445418472 /nfs/dbraw/zinc/41/84/72/445418472.db2.gz DRMGTZUVFHKVSL-VQIMIIECSA-N 2 2 342.443 1.873 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000359776928 445422832 /nfs/dbraw/zinc/42/28/32/445422832.db2.gz CUOKMGMDSXXKIE-RCCFBDPRSA-N 2 2 337.508 1.676 20 0 EDADLP COCCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000362527903 445424487 /nfs/dbraw/zinc/42/44/87/445424487.db2.gz HBTVUUOYBKNHAM-RBUKOAKNSA-N 2 2 349.475 1.456 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357100526 445428613 /nfs/dbraw/zinc/42/86/13/445428613.db2.gz GEXMGBYVRMWJME-IAGOWNOFSA-N 2 2 331.460 1.631 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357100526 445428617 /nfs/dbraw/zinc/42/86/17/445428617.db2.gz GEXMGBYVRMWJME-IAGOWNOFSA-N 2 2 331.460 1.631 20 0 EDADLP CN(C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)CCn1cc[nH+]c1 ZINC000351941787 445389395 /nfs/dbraw/zinc/38/93/95/445389395.db2.gz WNEFMEUVYQMRKJ-LSDHHAIUSA-N 2 2 348.426 1.078 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000348933435 445447416 /nfs/dbraw/zinc/44/74/16/445447416.db2.gz MYNGYNUGEJOTQY-FGTMMUONSA-N 2 2 339.524 1.972 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000348933435 445447419 /nfs/dbraw/zinc/44/74/19/445447419.db2.gz MYNGYNUGEJOTQY-FGTMMUONSA-N 2 2 339.524 1.972 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000348933435 445447423 /nfs/dbraw/zinc/44/74/23/445447423.db2.gz MYNGYNUGEJOTQY-FGTMMUONSA-N 2 2 339.524 1.972 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000348933435 445447426 /nfs/dbraw/zinc/44/74/26/445447426.db2.gz MYNGYNUGEJOTQY-FGTMMUONSA-N 2 2 339.524 1.972 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000352027983 445448985 /nfs/dbraw/zinc/44/89/85/445448985.db2.gz OARRWOFOAVDENX-INIZCTEOSA-N 2 2 349.479 1.318 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000349141532 445520717 /nfs/dbraw/zinc/52/07/17/445520717.db2.gz FIIKEIPCHWYZDX-NVXWUHKLSA-N 2 2 341.521 1.185 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000349141532 445520719 /nfs/dbraw/zinc/52/07/19/445520719.db2.gz FIIKEIPCHWYZDX-NVXWUHKLSA-N 2 2 341.521 1.185 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000362671112 445491405 /nfs/dbraw/zinc/49/14/05/445491405.db2.gz KREOPDCCEYMIQD-OAHLLOKOSA-N 2 2 331.391 1.968 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000362671112 445491408 /nfs/dbraw/zinc/49/14/08/445491408.db2.gz KREOPDCCEYMIQD-OAHLLOKOSA-N 2 2 331.391 1.968 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000359943398 445498938 /nfs/dbraw/zinc/49/89/38/445498938.db2.gz ZDVKDYPOHNKQFT-NVXWUHKLSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000359943398 445498940 /nfs/dbraw/zinc/49/89/40/445498940.db2.gz ZDVKDYPOHNKQFT-NVXWUHKLSA-N 2 2 336.480 1.119 20 0 EDADLP COc1cc2[nH+]c(N[C@H](C)C[N@H+](C)C(C)C)nc(N)c2cc1OC ZINC000357574029 445567571 /nfs/dbraw/zinc/56/75/71/445567571.db2.gz WEZDXLMCGYCPGN-LLVKDONJSA-N 2 2 333.436 1.792 20 0 EDADLP COc1cc2[nH+]c(N[C@H](C)C[N@@H+](C)C(C)C)nc(N)c2cc1OC ZINC000357574029 445567575 /nfs/dbraw/zinc/56/75/75/445567575.db2.gz WEZDXLMCGYCPGN-LLVKDONJSA-N 2 2 333.436 1.792 20 0 EDADLP COc1c(C)c[nH+]c(CN2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362836488 445573459 /nfs/dbraw/zinc/57/34/59/445573459.db2.gz HFZTZZNQSAZLQS-OAHLLOKOSA-N 2 2 332.448 1.103 20 0 EDADLP COc1c(C)cnc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362836488 445573460 /nfs/dbraw/zinc/57/34/60/445573460.db2.gz HFZTZZNQSAZLQS-OAHLLOKOSA-N 2 2 332.448 1.103 20 0 EDADLP COc1c(C)cnc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362836488 445573462 /nfs/dbraw/zinc/57/34/62/445573462.db2.gz HFZTZZNQSAZLQS-OAHLLOKOSA-N 2 2 332.448 1.103 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000362916655 445608809 /nfs/dbraw/zinc/60/88/09/445608809.db2.gz CAXLNJDASUCRMM-RDJZCZTQSA-N 2 2 347.507 1.431 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1)[NH+](CC)CC ZINC000349663384 445640150 /nfs/dbraw/zinc/64/01/50/445640150.db2.gz QJNMANRUFIOWMX-GJZGRUSLSA-N 2 2 327.469 1.203 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1)[NH+](CC)CC ZINC000349663384 445640154 /nfs/dbraw/zinc/64/01/54/445640154.db2.gz QJNMANRUFIOWMX-GJZGRUSLSA-N 2 2 327.469 1.203 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)C[NH+]1CCCCC1 ZINC000356186999 445666744 /nfs/dbraw/zinc/66/67/44/445666744.db2.gz RKXITLAGXQASDR-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)C[NH+]1CCCCC1 ZINC000356186999 445666748 /nfs/dbraw/zinc/66/67/48/445666748.db2.gz RKXITLAGXQASDR-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000349732333 445658397 /nfs/dbraw/zinc/65/83/97/445658397.db2.gz GDVJIPOJZIYJIL-KRWDZBQOSA-N 2 2 341.544 1.386 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[N@@H+]1CCO[C@H](CC)C1 ZINC000356212166 445677991 /nfs/dbraw/zinc/67/79/91/445677991.db2.gz GBHNNLISPOAJBQ-AOIWGVFYSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[N@H+]1CCO[C@H](CC)C1 ZINC000356212166 445677996 /nfs/dbraw/zinc/67/79/96/445677996.db2.gz GBHNNLISPOAJBQ-AOIWGVFYSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+]1CCO[C@H](CC)C1 ZINC000356212166 445678001 /nfs/dbraw/zinc/67/80/01/445678001.db2.gz GBHNNLISPOAJBQ-AOIWGVFYSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCO[C@H](CC)C1 ZINC000356212166 445678004 /nfs/dbraw/zinc/67/80/04/445678004.db2.gz GBHNNLISPOAJBQ-AOIWGVFYSA-N 2 2 337.508 1.820 20 0 EDADLP COCc1nc(CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)no1 ZINC000356226838 445686212 /nfs/dbraw/zinc/68/62/12/445686212.db2.gz HZBFHKCGJBZMFC-UHFFFAOYSA-N 2 2 337.468 1.206 20 0 EDADLP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363182460 445711040 /nfs/dbraw/zinc/71/10/40/445711040.db2.gz XYJYFFFOGCIIRO-MRXNPFEDSA-N 2 2 346.475 1.261 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCNc1cc[nH+]c(C)n1)CC2 ZINC000360521417 445712226 /nfs/dbraw/zinc/71/22/26/445712226.db2.gz NYGULOKERZYEQQ-UHFFFAOYSA-N 2 2 328.416 2.272 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNc1cc[nH+]c(C)n1)CC2 ZINC000360521417 445712227 /nfs/dbraw/zinc/71/22/27/445712227.db2.gz NYGULOKERZYEQQ-UHFFFAOYSA-N 2 2 328.416 2.272 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000363186131 445712739 /nfs/dbraw/zinc/71/27/39/445712739.db2.gz LNYPGUCODIRZAG-IBGZPJMESA-N 2 2 331.460 1.180 20 0 EDADLP CCC(CC)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000356277939 445713719 /nfs/dbraw/zinc/71/37/19/445713719.db2.gz JCKBVTCURQOPPX-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CCC(CC)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000356277939 445713724 /nfs/dbraw/zinc/71/37/24/445713724.db2.gz JCKBVTCURQOPPX-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000356337857 445741777 /nfs/dbraw/zinc/74/17/77/445741777.db2.gz CRKRVFNIOQYWTD-BZUAXINKSA-N 2 2 348.466 1.545 20 0 EDADLP Cc1noc(-c2ccc(NCC[NH+]3CCC([NH+](C)C)CC3)nc2)n1 ZINC000363313315 445761995 /nfs/dbraw/zinc/76/19/95/445761995.db2.gz FZTTYQRXEZLQSA-UHFFFAOYSA-N 2 2 330.436 1.878 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000363316537 445762868 /nfs/dbraw/zinc/76/28/68/445762868.db2.gz LROVDXCAOLKGBA-QZWWFDLISA-N 2 2 346.475 1.766 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000363316537 445762872 /nfs/dbraw/zinc/76/28/72/445762872.db2.gz LROVDXCAOLKGBA-QZWWFDLISA-N 2 2 346.475 1.766 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC2(c3noc(C[NH+](C)C)n3)CCCC2)CC[NH2+]1 ZINC000358861885 445817069 /nfs/dbraw/zinc/81/70/69/445817069.db2.gz WRYNYMBBSSKLKD-STQMWFEESA-N 2 2 335.452 1.405 20 0 EDADLP COCC1(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC[NH2+]CC1 ZINC000358865296 445818884 /nfs/dbraw/zinc/81/88/84/445818884.db2.gz MLAWXHGPGKAUQQ-UHFFFAOYSA-N 2 2 334.464 1.444 20 0 EDADLP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C12CCC2 ZINC000353946274 445821979 /nfs/dbraw/zinc/82/19/79/445821979.db2.gz GCHWGTKUVLECSS-SHHXBEJGSA-N 2 2 349.519 1.863 20 0 EDADLP CO[C@@H]1[C@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C12CCC2 ZINC000353946274 445821981 /nfs/dbraw/zinc/82/19/81/445821981.db2.gz GCHWGTKUVLECSS-SHHXBEJGSA-N 2 2 349.519 1.863 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000363494806 445830636 /nfs/dbraw/zinc/83/06/36/445830636.db2.gz FBWYBIAWJIDNBC-SFHVURJKSA-N 2 2 333.476 1.534 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000363494806 445830640 /nfs/dbraw/zinc/83/06/40/445830640.db2.gz FBWYBIAWJIDNBC-SFHVURJKSA-N 2 2 333.476 1.534 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356437643 445790654 /nfs/dbraw/zinc/79/06/54/445790654.db2.gz VZIDBGVKSXTDBG-RYUDHWBXSA-N 2 2 335.452 1.319 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000361518097 445798723 /nfs/dbraw/zinc/79/87/23/445798723.db2.gz HSLNWCICBXXUKM-HNNXBMFYSA-N 2 2 334.464 1.763 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)no2)CC[N@@H+]1Cc1ccccc1 ZINC000350463997 445832708 /nfs/dbraw/zinc/83/27/08/445832708.db2.gz WVOFRDSZFYPZJM-HIFRSBDPSA-N 2 2 328.416 1.916 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)no2)CC[N@H+]1Cc1ccccc1 ZINC000350463997 445832711 /nfs/dbraw/zinc/83/27/11/445832711.db2.gz WVOFRDSZFYPZJM-HIFRSBDPSA-N 2 2 328.416 1.916 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000350284216 445806202 /nfs/dbraw/zinc/80/62/02/445806202.db2.gz BLSXMPUPBAALIN-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000350284216 445806206 /nfs/dbraw/zinc/80/62/06/445806206.db2.gz BLSXMPUPBAALIN-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000361698663 445883812 /nfs/dbraw/zinc/88/38/12/445883812.db2.gz JMXIKOSKYWSWOT-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000361698663 445883814 /nfs/dbraw/zinc/88/38/14/445883814.db2.gz JMXIKOSKYWSWOT-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)NCC[NH+]1CCC1)C1CCOCC1 ZINC000356610707 445884400 /nfs/dbraw/zinc/88/44/00/445884400.db2.gz MQZPWKGJJHDPDF-HNNXBMFYSA-N 2 2 335.452 1.376 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000353983868 445840968 /nfs/dbraw/zinc/84/09/68/445840968.db2.gz ONOLUQHTFJWQKJ-CZUORRHYSA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000353983868 445840971 /nfs/dbraw/zinc/84/09/71/445840971.db2.gz ONOLUQHTFJWQKJ-CZUORRHYSA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000353983868 445840977 /nfs/dbraw/zinc/84/09/77/445840977.db2.gz ONOLUQHTFJWQKJ-CZUORRHYSA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000353983868 445840980 /nfs/dbraw/zinc/84/09/80/445840980.db2.gz ONOLUQHTFJWQKJ-CZUORRHYSA-N 2 2 349.479 1.082 20 0 EDADLP [NH3+]Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccn1 ZINC000361611722 445846128 /nfs/dbraw/zinc/84/61/28/445846128.db2.gz UEQHMINKFHUDFA-GOSISDBHSA-N 2 2 340.427 1.344 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000350553742 445848850 /nfs/dbraw/zinc/84/88/50/445848850.db2.gz IAUAEZVAUJEJDV-UHFFFAOYSA-N 2 2 343.431 1.549 20 0 EDADLP CO[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000350559456 445849739 /nfs/dbraw/zinc/84/97/39/445849739.db2.gz RKDHGPLWKBQUAW-YQQAZPJKSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000350559456 445849742 /nfs/dbraw/zinc/84/97/42/445849742.db2.gz RKDHGPLWKBQUAW-YQQAZPJKSA-N 2 2 338.496 1.364 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2CCC[C@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000350724122 445888424 /nfs/dbraw/zinc/88/84/24/445888424.db2.gz HKKYSZQHTDSFQO-SJLPKXTDSA-N 2 2 329.444 1.942 20 0 EDADLP O=C(C[N@H+]1C[C@H]2CCC[C@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000350724122 445888428 /nfs/dbraw/zinc/88/84/28/445888428.db2.gz HKKYSZQHTDSFQO-SJLPKXTDSA-N 2 2 329.444 1.942 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000359075465 445928567 /nfs/dbraw/zinc/92/85/67/445928567.db2.gz MZZKFZSWVPCPDQ-SFHVURJKSA-N 2 2 339.524 1.972 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000361775469 445933678 /nfs/dbraw/zinc/93/36/78/445933678.db2.gz WGEGCYVUPQNVFA-ULQDDVLXSA-N 2 2 339.528 1.137 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000361775469 445933681 /nfs/dbraw/zinc/93/36/81/445933681.db2.gz WGEGCYVUPQNVFA-ULQDDVLXSA-N 2 2 339.528 1.137 20 0 EDADLP CCCOc1cccc2c(N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc[nH+]c12 ZINC000582191971 325797062 /nfs/dbraw/zinc/79/70/62/325797062.db2.gz SIFVUASACALUOZ-DZGCQCFKSA-N 2 2 340.427 1.772 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000356623904 445893758 /nfs/dbraw/zinc/89/37/58/445893758.db2.gz NKKYRHRGEXTXIH-IAGOWNOFSA-N 2 2 325.497 1.722 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000356623904 445893760 /nfs/dbraw/zinc/89/37/60/445893760.db2.gz NKKYRHRGEXTXIH-IAGOWNOFSA-N 2 2 325.497 1.722 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000350749484 445896712 /nfs/dbraw/zinc/89/67/12/445896712.db2.gz VDMHZMNQLCKABM-YCPHGPKFSA-N 2 2 337.468 1.670 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000359042403 445904856 /nfs/dbraw/zinc/90/48/56/445904856.db2.gz OVOZWTSBCWTXJP-JKSUJKDBSA-N 2 2 342.447 1.755 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000350782377 445905585 /nfs/dbraw/zinc/90/55/85/445905585.db2.gz YESPXRYCXOXLTM-UHFFFAOYSA-N 2 2 341.402 1.560 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000372899088 445909700 /nfs/dbraw/zinc/90/97/00/445909700.db2.gz HULVHBLOZSRMLM-DHSIGJKJSA-N 2 2 334.464 1.688 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2[nH+]1 ZINC000359060043 445918776 /nfs/dbraw/zinc/91/87/76/445918776.db2.gz MAVBFKOGRYHZSS-DZGCQCFKSA-N 2 2 341.415 1.324 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2[nH+]1 ZINC000359060043 445918778 /nfs/dbraw/zinc/91/87/78/445918778.db2.gz MAVBFKOGRYHZSS-DZGCQCFKSA-N 2 2 341.415 1.324 20 0 EDADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372923770 445922778 /nfs/dbraw/zinc/92/27/78/445922778.db2.gz HPEUVNWITPEWAB-CVEARBPZSA-N 2 2 344.415 1.810 20 0 EDADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372923770 445922782 /nfs/dbraw/zinc/92/27/82/445922782.db2.gz HPEUVNWITPEWAB-CVEARBPZSA-N 2 2 344.415 1.810 20 0 EDADLP O=S(=O)(CC[NH+]1CCCC1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000369093774 445924855 /nfs/dbraw/zinc/92/48/55/445924855.db2.gz FLCSNGSNRHIPOI-HNNXBMFYSA-N 2 2 338.477 1.066 20 0 EDADLP CCCc1[nH+]c2ccccc2n1CCC(=O)N1CC[NH+](CCO)CC1 ZINC000354165338 445962598 /nfs/dbraw/zinc/96/25/98/445962598.db2.gz WGCPPUKFYABFFO-UHFFFAOYSA-N 2 2 344.459 1.515 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cn2)CC1 ZINC000354176059 445971463 /nfs/dbraw/zinc/97/14/63/445971463.db2.gz IMLWWEGCVZXKSJ-IBGZPJMESA-N 3 2 344.507 1.146 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cn2)CC1 ZINC000354176059 445971470 /nfs/dbraw/zinc/97/14/70/445971470.db2.gz IMLWWEGCVZXKSJ-IBGZPJMESA-N 3 2 344.507 1.146 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cn2)CC1 ZINC000354176059 445971476 /nfs/dbraw/zinc/97/14/76/445971476.db2.gz IMLWWEGCVZXKSJ-IBGZPJMESA-N 3 2 344.507 1.146 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cn2)CC1 ZINC000354176059 445971481 /nfs/dbraw/zinc/97/14/81/445971481.db2.gz IMLWWEGCVZXKSJ-IBGZPJMESA-N 3 2 344.507 1.146 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)n(C)c1C ZINC000366037922 445975877 /nfs/dbraw/zinc/97/58/77/445975877.db2.gz FOABCOOEMAVDGQ-MAUKXSAKSA-N 2 2 349.475 1.711 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1[nH+]ccn1C ZINC000369217503 445999243 /nfs/dbraw/zinc/99/92/43/445999243.db2.gz ZHGPZXZVNFIQTI-UHOFOFEASA-N 2 2 344.415 1.141 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000354198838 445992326 /nfs/dbraw/zinc/99/23/26/445992326.db2.gz MEWXQRVWKFHCLJ-QGZVFWFLSA-N 3 2 332.492 1.998 20 0 EDADLP CC1(C)CCC[C@@]1(O)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000354150983 445948625 /nfs/dbraw/zinc/94/86/25/445948625.db2.gz UQSMGNPHXCCTTB-LJQANCHMSA-N 2 2 339.524 1.314 20 0 EDADLP CC1(C)CCC[C@@]1(O)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000354150983 445948630 /nfs/dbraw/zinc/94/86/30/445948630.db2.gz UQSMGNPHXCCTTB-LJQANCHMSA-N 2 2 339.524 1.314 20 0 EDADLP C[C@H](NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000369253137 446025044 /nfs/dbraw/zinc/02/50/44/446025044.db2.gz RMJDAPUZYGYUHX-GJZGRUSLSA-N 2 2 331.464 1.737 20 0 EDADLP C[C@H](NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000369253137 446025052 /nfs/dbraw/zinc/02/50/52/446025052.db2.gz RMJDAPUZYGYUHX-GJZGRUSLSA-N 2 2 331.464 1.737 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCN(C(=O)CC2CCCC2)CC1)C1CC1 ZINC000351292976 446027362 /nfs/dbraw/zinc/02/73/62/446027362.db2.gz WLMFZDRBTYGZMV-GOSISDBHSA-N 2 2 337.508 1.556 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCN(C(=O)CC2CCCC2)CC1)C1CC1 ZINC000351292976 446027365 /nfs/dbraw/zinc/02/73/65/446027365.db2.gz WLMFZDRBTYGZMV-GOSISDBHSA-N 2 2 337.508 1.556 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)C1CC1 ZINC000351292976 446027367 /nfs/dbraw/zinc/02/73/67/446027367.db2.gz WLMFZDRBTYGZMV-GOSISDBHSA-N 2 2 337.508 1.556 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)C1CC1 ZINC000351292976 446027369 /nfs/dbraw/zinc/02/73/69/446027369.db2.gz WLMFZDRBTYGZMV-GOSISDBHSA-N 2 2 337.508 1.556 20 0 EDADLP COC(=O)c1occc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369268621 446033439 /nfs/dbraw/zinc/03/34/39/446033439.db2.gz UMOFEOXCSMHEEO-GOEBONIOSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1occc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369268621 446033443 /nfs/dbraw/zinc/03/34/43/446033443.db2.gz UMOFEOXCSMHEEO-GOEBONIOSA-N 2 2 335.448 1.524 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCC(C)CC1 ZINC000366088231 446006596 /nfs/dbraw/zinc/00/65/96/446006596.db2.gz KTQPOCCWUWNEDL-RDJZCZTQSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCC(C)CC1 ZINC000366088231 446006600 /nfs/dbraw/zinc/00/66/00/446006600.db2.gz KTQPOCCWUWNEDL-RDJZCZTQSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366091193 446007648 /nfs/dbraw/zinc/00/76/48/446007648.db2.gz LLEHZWQEUNYKDW-HIFRSBDPSA-N 2 2 349.479 1.001 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366091193 446007651 /nfs/dbraw/zinc/00/76/51/446007651.db2.gz LLEHZWQEUNYKDW-HIFRSBDPSA-N 2 2 349.479 1.001 20 0 EDADLP C[N@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@H]1CCCOC1 ZINC000583358365 326055536 /nfs/dbraw/zinc/05/55/36/326055536.db2.gz WYSAKBLTRJBKPG-AWEZNQCLSA-N 2 2 338.477 1.788 20 0 EDADLP C[N@@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@H]1CCCOC1 ZINC000583358365 326055537 /nfs/dbraw/zinc/05/55/37/326055537.db2.gz WYSAKBLTRJBKPG-AWEZNQCLSA-N 2 2 338.477 1.788 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C3CC3)no2)CC1 ZINC000583576700 326099349 /nfs/dbraw/zinc/09/93/49/326099349.db2.gz BNHNJOPBYANMGT-UHFFFAOYSA-N 2 2 327.388 1.951 20 0 EDADLP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000584042457 326188677 /nfs/dbraw/zinc/18/86/77/326188677.db2.gz LVKSWQPGFPYDOV-MRXNPFEDSA-N 2 2 332.448 1.068 20 0 EDADLP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000584042457 326188679 /nfs/dbraw/zinc/18/86/79/326188679.db2.gz LVKSWQPGFPYDOV-MRXNPFEDSA-N 2 2 332.448 1.068 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](F)C[NH+]2Cc2cccs2)C1 ZINC000351472620 446073183 /nfs/dbraw/zinc/07/31/83/446073183.db2.gz PYBDWEOIGCDSSJ-NFAWXSAZSA-N 2 2 341.452 1.107 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](F)C[NH+]2Cc2cccs2)C1 ZINC000351472620 446073192 /nfs/dbraw/zinc/07/31/92/446073192.db2.gz PYBDWEOIGCDSSJ-NFAWXSAZSA-N 2 2 341.452 1.107 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000351472620 446073195 /nfs/dbraw/zinc/07/31/95/446073195.db2.gz PYBDWEOIGCDSSJ-NFAWXSAZSA-N 2 2 341.452 1.107 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000351472620 446073201 /nfs/dbraw/zinc/07/32/01/446073201.db2.gz PYBDWEOIGCDSSJ-NFAWXSAZSA-N 2 2 341.452 1.107 20 0 EDADLP OC(C[NH+]1CCOCC2(CCC2)C1)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000373181997 446080410 /nfs/dbraw/zinc/08/04/10/446080410.db2.gz YCXMPOSSTMJFNR-UHFFFAOYSA-N 2 2 338.492 1.352 20 0 EDADLP OC(C[NH+]1CCOCC2(CCC2)C1)C[N@H+]1CCOCC2(CCC2)C1 ZINC000373181997 446080416 /nfs/dbraw/zinc/08/04/16/446080416.db2.gz YCXMPOSSTMJFNR-UHFFFAOYSA-N 2 2 338.492 1.352 20 0 EDADLP C[C@H]1C[N@@H+]([C@@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CCO1 ZINC000354353976 446137093 /nfs/dbraw/zinc/13/70/93/446137093.db2.gz OANBYRAQGURCRO-KBPBESRZSA-N 2 2 347.488 2.478 20 0 EDADLP C[C@H]1C[N@H+]([C@@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CCO1 ZINC000354353976 446137099 /nfs/dbraw/zinc/13/70/99/446137099.db2.gz OANBYRAQGURCRO-KBPBESRZSA-N 2 2 347.488 2.478 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000356892420 446099281 /nfs/dbraw/zinc/09/92/81/446099281.db2.gz HLZINKSNEJOKQY-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)C[N@@H+]1C1CC1 ZINC000366279942 446125619 /nfs/dbraw/zinc/12/56/19/446125619.db2.gz GSJWTZAGSNIRDO-GJZGRUSLSA-N 2 2 348.491 1.846 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)C[N@H+]1C1CC1 ZINC000366279942 446125622 /nfs/dbraw/zinc/12/56/22/446125622.db2.gz GSJWTZAGSNIRDO-GJZGRUSLSA-N 2 2 348.491 1.846 20 0 EDADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000351523517 446125929 /nfs/dbraw/zinc/12/59/29/446125929.db2.gz MCBSNRHEPWYKPC-DMRKSPOLSA-N 2 2 338.496 1.077 20 0 EDADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000351523517 446125933 /nfs/dbraw/zinc/12/59/33/446125933.db2.gz MCBSNRHEPWYKPC-DMRKSPOLSA-N 2 2 338.496 1.077 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000351523517 446125937 /nfs/dbraw/zinc/12/59/37/446125937.db2.gz MCBSNRHEPWYKPC-DMRKSPOLSA-N 2 2 338.496 1.077 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000351523517 446125942 /nfs/dbraw/zinc/12/59/42/446125942.db2.gz MCBSNRHEPWYKPC-DMRKSPOLSA-N 2 2 338.496 1.077 20 0 EDADLP Clc1ccsc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000373260558 446130584 /nfs/dbraw/zinc/13/05/84/446130584.db2.gz LZJSNGWFNPKQIN-CYBMUJFWSA-N 2 2 329.897 1.898 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C[C@@H](C)O1 ZINC000356963482 446162517 /nfs/dbraw/zinc/16/25/17/446162517.db2.gz WPZVTSKOFWRXSD-BRSBDYLESA-N 2 2 348.491 1.286 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C[C@@H](C)O1 ZINC000356963482 446162520 /nfs/dbraw/zinc/16/25/20/446162520.db2.gz WPZVTSKOFWRXSD-BRSBDYLESA-N 2 2 348.491 1.286 20 0 EDADLP CN(C)c1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c[nH+]1 ZINC000351565421 446163966 /nfs/dbraw/zinc/16/39/66/446163966.db2.gz AMDCJOWRGOCNLM-UHFFFAOYSA-N 2 2 348.472 1.688 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCSCC1 ZINC000365361291 446167897 /nfs/dbraw/zinc/16/78/97/446167897.db2.gz XYYODPIZEYARBV-HUUCEWRRSA-N 2 2 341.521 1.135 20 0 EDADLP Cc1cccc(CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000366309849 446143973 /nfs/dbraw/zinc/14/39/73/446143973.db2.gz JLGJLDYCQHFFTR-QGZVFWFLSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1cccc(CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000366309849 446143977 /nfs/dbraw/zinc/14/39/77/446143977.db2.gz JLGJLDYCQHFFTR-QGZVFWFLSA-N 2 2 345.491 1.400 20 0 EDADLP CCN1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354430593 446199244 /nfs/dbraw/zinc/19/92/44/446199244.db2.gz DOLXQLRQPZOGLF-MRXNPFEDSA-N 2 2 346.479 1.450 20 0 EDADLP CCN1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354430593 446199247 /nfs/dbraw/zinc/19/92/47/446199247.db2.gz DOLXQLRQPZOGLF-MRXNPFEDSA-N 2 2 346.479 1.450 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCn3c(C)nnc32)CC1 ZINC000365478540 446225917 /nfs/dbraw/zinc/22/59/17/446225917.db2.gz BETIEDVKONXRBJ-HNNXBMFYSA-N 2 2 335.452 1.429 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)C(=O)OC ZINC000362182585 446250369 /nfs/dbraw/zinc/25/03/69/446250369.db2.gz MYZVRMPUKVWGJP-IVSAIRAKSA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1)C(=O)OC ZINC000362182585 446250373 /nfs/dbraw/zinc/25/03/73/446250373.db2.gz MYZVRMPUKVWGJP-IVSAIRAKSA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1)C(=O)OC ZINC000362182585 446250377 /nfs/dbraw/zinc/25/03/77/446250377.db2.gz MYZVRMPUKVWGJP-IVSAIRAKSA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)C(=O)OC ZINC000362182585 446250380 /nfs/dbraw/zinc/25/03/80/446250380.db2.gz MYZVRMPUKVWGJP-IVSAIRAKSA-N 2 2 341.496 1.495 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000359567897 446295492 /nfs/dbraw/zinc/29/54/92/446295492.db2.gz WCJAJJHTWKDMKX-HNNXBMFYSA-N 2 2 346.475 1.863 20 0 EDADLP CCN(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000365570335 446258014 /nfs/dbraw/zinc/25/80/14/446258014.db2.gz OHCCZGCUDIIDKG-QGZVFWFLSA-N 2 2 337.508 1.822 20 0 EDADLP CCN(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000365570335 446258020 /nfs/dbraw/zinc/25/80/20/446258020.db2.gz OHCCZGCUDIIDKG-QGZVFWFLSA-N 2 2 337.508 1.822 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365589996 446265186 /nfs/dbraw/zinc/26/51/86/446265186.db2.gz WCSSVIKYAPJEMT-MRXNPFEDSA-N 2 2 335.492 1.622 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365589996 446265189 /nfs/dbraw/zinc/26/51/89/446265189.db2.gz WCSSVIKYAPJEMT-MRXNPFEDSA-N 2 2 335.492 1.622 20 0 EDADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000366585903 446269510 /nfs/dbraw/zinc/26/95/10/446269510.db2.gz OEMKXNMICLFBFI-NVXWUHKLSA-N 2 2 326.481 1.492 20 0 EDADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000366585903 446269511 /nfs/dbraw/zinc/26/95/11/446269511.db2.gz OEMKXNMICLFBFI-NVXWUHKLSA-N 2 2 326.481 1.492 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)C2 ZINC000365685504 446300073 /nfs/dbraw/zinc/30/00/73/446300073.db2.gz GVUOUBMGSVJPSF-WMZOPIPTSA-N 2 2 346.475 1.323 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000365685504 446300075 /nfs/dbraw/zinc/30/00/75/446300075.db2.gz GVUOUBMGSVJPSF-WMZOPIPTSA-N 2 2 346.475 1.323 20 0 EDADLP CCOC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000373709132 446309953 /nfs/dbraw/zinc/30/99/53/446309953.db2.gz SPYAJPOVKGLHIO-RDJZCZTQSA-N 2 2 340.512 1.515 20 0 EDADLP CCOC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000373709132 446309957 /nfs/dbraw/zinc/30/99/57/446309957.db2.gz SPYAJPOVKGLHIO-RDJZCZTQSA-N 2 2 340.512 1.515 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C1 ZINC000373746372 446321788 /nfs/dbraw/zinc/32/17/88/446321788.db2.gz NZMKZIDKCAJGSB-ZDUSSCGKSA-N 2 2 341.393 1.615 20 0 EDADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)C1 ZINC000365799654 446347992 /nfs/dbraw/zinc/34/79/92/446347992.db2.gz NNLUVEMCVBOZJO-OWSLCNJRSA-N 2 2 337.508 1.412 20 0 EDADLP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)C1 ZINC000365799654 446347993 /nfs/dbraw/zinc/34/79/93/446347993.db2.gz NNLUVEMCVBOZJO-OWSLCNJRSA-N 2 2 337.508 1.412 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000370573792 446338584 /nfs/dbraw/zinc/33/85/84/446338584.db2.gz LAYBULSVRWFIPK-KRWDZBQOSA-N 2 2 349.475 1.831 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000370573792 446338591 /nfs/dbraw/zinc/33/85/91/446338591.db2.gz LAYBULSVRWFIPK-KRWDZBQOSA-N 2 2 349.475 1.831 20 0 EDADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000370615209 446359469 /nfs/dbraw/zinc/35/94/69/446359469.db2.gz ACTVERLFKYVDNM-YVWKXTFCSA-N 2 2 329.488 1.916 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(c3ncncc3C(=O)OC)CC2)CC1 ZINC000376186464 446371811 /nfs/dbraw/zinc/37/18/11/446371811.db2.gz HNHJNMVZLFMRLB-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP C[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951602 446396927 /nfs/dbraw/zinc/39/69/27/446396927.db2.gz YQVWNICCCNUJOO-UONOGXRCSA-N 2 2 328.819 1.743 20 0 EDADLP C[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951602 446396931 /nfs/dbraw/zinc/39/69/31/446396931.db2.gz YQVWNICCCNUJOO-UONOGXRCSA-N 2 2 328.819 1.743 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@H]3CC[NH2+]CC3(F)F)[nH+]cn2)C1 ZINC000420287314 446453346 /nfs/dbraw/zinc/45/33/46/446453346.db2.gz RCSZVQYMXKPKPA-RWMBFGLXSA-N 2 2 341.406 1.340 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@H]3CC[NH2+]CC3(F)F)nc[nH+]2)C1 ZINC000420287314 446453349 /nfs/dbraw/zinc/45/33/49/446453349.db2.gz RCSZVQYMXKPKPA-RWMBFGLXSA-N 2 2 341.406 1.340 20 0 EDADLP C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)[C@@H]1CCCC[NH2+]1 ZINC000423146053 446440717 /nfs/dbraw/zinc/44/07/17/446440717.db2.gz NRCGJCPYEVOVTD-YPMHNXCESA-N 2 2 328.254 1.731 20 0 EDADLP Cn1cc(I)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000423163108 446443869 /nfs/dbraw/zinc/44/38/69/446443869.db2.gz QTBPRUQRSCQNNS-GXSJLCMTSA-N 2 2 348.232 1.632 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411253052 446446118 /nfs/dbraw/zinc/44/61/18/446446118.db2.gz LDQXZUJYRKYBSD-UHFFFAOYSA-N 2 2 336.436 1.030 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411253052 446446126 /nfs/dbraw/zinc/44/61/26/446446126.db2.gz LDQXZUJYRKYBSD-UHFFFAOYSA-N 2 2 336.436 1.030 20 0 EDADLP C[NH2+]CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423198002 446451521 /nfs/dbraw/zinc/45/15/21/446451521.db2.gz CMOYNNJBWOIZMQ-LBPRGKRZSA-N 2 2 347.278 1.867 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420295539 446458167 /nfs/dbraw/zinc/45/81/67/446458167.db2.gz PMNLMNPOXUHCPO-UKRRQHHQSA-N 2 2 333.432 1.019 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420295539 446458170 /nfs/dbraw/zinc/45/81/70/446458170.db2.gz PMNLMNPOXUHCPO-UKRRQHHQSA-N 2 2 333.432 1.019 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420315588 446480965 /nfs/dbraw/zinc/48/09/65/446480965.db2.gz WVUIQAMCISGCLY-NWANDNLSSA-N 2 2 331.416 1.471 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420315588 446480973 /nfs/dbraw/zinc/48/09/73/446480973.db2.gz WVUIQAMCISGCLY-NWANDNLSSA-N 2 2 331.416 1.471 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[NH+](C)C ZINC000423305517 446481225 /nfs/dbraw/zinc/48/12/25/446481225.db2.gz KNJZUDACMQAJBE-ZFWWWQNUSA-N 2 2 334.445 1.571 20 0 EDADLP Cc1ncsc1C[N@H+](CCN1CCO[C@H](C)C1)C[C@H]1CC[NH2+]C1 ZINC000420302174 446465841 /nfs/dbraw/zinc/46/58/41/446465841.db2.gz BHFJRUYGEHOTBF-ZBFHGGJFSA-N 2 2 338.521 1.584 20 0 EDADLP Cc1ncsc1C[N@@H+](CCN1CCO[C@H](C)C1)C[C@H]1CC[NH2+]C1 ZINC000420302174 446465846 /nfs/dbraw/zinc/46/58/46/446465846.db2.gz BHFJRUYGEHOTBF-ZBFHGGJFSA-N 2 2 338.521 1.584 20 0 EDADLP Cc1ncsc1CN(CC[N@@H+]1CCO[C@H](C)C1)C[C@H]1CC[NH2+]C1 ZINC000420302174 446465850 /nfs/dbraw/zinc/46/58/50/446465850.db2.gz BHFJRUYGEHOTBF-ZBFHGGJFSA-N 2 2 338.521 1.584 20 0 EDADLP Cc1ncsc1CN(CC[N@H+]1CCO[C@H](C)C1)C[C@H]1CC[NH2+]C1 ZINC000420302174 446465853 /nfs/dbraw/zinc/46/58/53/446465853.db2.gz BHFJRUYGEHOTBF-ZBFHGGJFSA-N 2 2 338.521 1.584 20 0 EDADLP CC(=O)c1c[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000370839089 446472744 /nfs/dbraw/zinc/47/27/44/446472744.db2.gz HIEZNGXWJOBETG-MRXNPFEDSA-N 2 2 332.448 1.458 20 0 EDADLP CC(=O)c1c[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000370839089 446472753 /nfs/dbraw/zinc/47/27/53/446472753.db2.gz HIEZNGXWJOBETG-MRXNPFEDSA-N 2 2 332.448 1.458 20 0 EDADLP CN(C(=O)COCc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370842916 446474896 /nfs/dbraw/zinc/47/48/96/446474896.db2.gz QLCWTMOLUDXOTJ-LJQANCHMSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C(=O)COCc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370842916 446474902 /nfs/dbraw/zinc/47/49/02/446474902.db2.gz QLCWTMOLUDXOTJ-LJQANCHMSA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)[NH+]1CCOCC1 ZINC000423307845 446482153 /nfs/dbraw/zinc/48/21/53/446482153.db2.gz WSHAZDBIFMVMAS-GDBMZVCRSA-N 2 2 341.402 1.438 20 0 EDADLP Cn1[nH]c(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1=O ZINC000420320680 446486337 /nfs/dbraw/zinc/48/63/37/446486337.db2.gz YWGDEVLEEGJWKZ-CVEARBPZSA-N 2 2 329.448 1.281 20 0 EDADLP Cn1[nH]c(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1=O ZINC000420320680 446486341 /nfs/dbraw/zinc/48/63/41/446486341.db2.gz YWGDEVLEEGJWKZ-CVEARBPZSA-N 2 2 329.448 1.281 20 0 EDADLP [NH3+][C@@H](C(=O)NCCCC[NH+]1CCOCC1)c1c(F)cccc1F ZINC000423323516 446487535 /nfs/dbraw/zinc/48/75/35/446487535.db2.gz HZGCUPOPTPERIQ-OAHLLOKOSA-N 2 2 327.375 1.193 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423331763 446491455 /nfs/dbraw/zinc/49/14/55/446491455.db2.gz UVCRKSWOYUPGCA-QGZVFWFLSA-N 2 2 333.476 1.893 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])C3CCC3)c[nH+]2)C[C@H](C)O1 ZINC000423332357 446491579 /nfs/dbraw/zinc/49/15/79/446491579.db2.gz NFTRSZKAGALHDP-IIYDPXPESA-N 2 2 332.448 1.439 20 0 EDADLP CN(C(=O)NCCC[NH3+])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418349616 446508979 /nfs/dbraw/zinc/50/89/79/446508979.db2.gz KRXOZSNEHOMIBE-DLBZAZTESA-N 3 2 339.528 1.314 20 0 EDADLP CN(C(=O)NCCC[NH3+])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418349616 446508983 /nfs/dbraw/zinc/50/89/83/446508983.db2.gz KRXOZSNEHOMIBE-DLBZAZTESA-N 3 2 339.528 1.314 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)[nH+]c12 ZINC000423379556 446509765 /nfs/dbraw/zinc/50/97/65/446509765.db2.gz DBTUMUVDYAPHOE-ZDUSSCGKSA-N 2 2 338.415 1.763 20 0 EDADLP C[C@H]1CCOCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000374991430 446499759 /nfs/dbraw/zinc/49/97/59/446499759.db2.gz XXXCARMKHNXHBC-INIZCTEOSA-N 2 2 347.459 1.568 20 0 EDADLP C[C@H]1CCOCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000374991430 446499766 /nfs/dbraw/zinc/49/97/66/446499766.db2.gz XXXCARMKHNXHBC-INIZCTEOSA-N 2 2 347.459 1.568 20 0 EDADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]CCN2C)CC1 ZINC000423518408 446560148 /nfs/dbraw/zinc/56/01/48/446560148.db2.gz OOHWRGPOPSEDFB-XLIONFOSSA-N 3 2 330.520 1.575 20 0 EDADLP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420387116 446563652 /nfs/dbraw/zinc/56/36/52/446563652.db2.gz JMLQIPSWUFOVOC-QGZVFWFLSA-N 2 2 327.513 1.957 20 0 EDADLP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420387116 446563662 /nfs/dbraw/zinc/56/36/62/446563662.db2.gz JMLQIPSWUFOVOC-QGZVFWFLSA-N 2 2 327.513 1.957 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000423529234 446564410 /nfs/dbraw/zinc/56/44/10/446564410.db2.gz XKLFCDDIERJYDG-NXHRZFHOSA-N 2 2 337.895 1.923 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(C)[nH+]1 ZINC000411403501 446521785 /nfs/dbraw/zinc/52/17/85/446521785.db2.gz VACDVGFXBWYWRW-HNNXBMFYSA-N 2 2 330.432 1.640 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c(C)[nH+]1 ZINC000411403501 446521791 /nfs/dbraw/zinc/52/17/91/446521791.db2.gz VACDVGFXBWYWRW-HNNXBMFYSA-N 2 2 330.432 1.640 20 0 EDADLP CN(Cc1ncnn1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367288688 446531735 /nfs/dbraw/zinc/53/17/35/446531735.db2.gz IBVVJBOPIUVTPI-INIZCTEOSA-N 2 2 334.512 1.633 20 0 EDADLP CN(Cc1ncnn1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367288688 446531740 /nfs/dbraw/zinc/53/17/40/446531740.db2.gz IBVVJBOPIUVTPI-INIZCTEOSA-N 2 2 334.512 1.633 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4CC[N@H+](C)[C@H]4C3)nc(N)c2cc1OC ZINC000375038059 446533044 /nfs/dbraw/zinc/53/30/44/446533044.db2.gz KMNXOYYRYQLCHZ-RISCZKNCSA-N 2 2 343.431 1.760 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4CC[N@@H+](C)[C@H]4C3)nc(N)c2cc1OC ZINC000375038059 446533051 /nfs/dbraw/zinc/53/30/51/446533051.db2.gz KMNXOYYRYQLCHZ-RISCZKNCSA-N 2 2 343.431 1.760 20 0 EDADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423442333 446539701 /nfs/dbraw/zinc/53/97/01/446539701.db2.gz JXLRAMHDNYWNNG-IHRRRGAJSA-N 2 2 341.477 1.094 20 0 EDADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000420361990 446541613 /nfs/dbraw/zinc/54/16/13/446541613.db2.gz YTIMTJJGNQLORW-ZWNOBZJWSA-N 2 2 331.338 1.062 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000420361990 446541617 /nfs/dbraw/zinc/54/16/17/446541617.db2.gz YTIMTJJGNQLORW-ZWNOBZJWSA-N 2 2 331.338 1.062 20 0 EDADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000420362590 446542580 /nfs/dbraw/zinc/54/25/80/446542580.db2.gz ZFASCWOEIMGVJR-TZMCWYRMSA-N 2 2 343.374 1.035 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000420362590 446542588 /nfs/dbraw/zinc/54/25/88/446542588.db2.gz ZFASCWOEIMGVJR-TZMCWYRMSA-N 2 2 343.374 1.035 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCN(C)[C@H](c3nc(C)no3)C2)cc1 ZINC000420363588 446542982 /nfs/dbraw/zinc/54/29/82/446542982.db2.gz BPBCFXXOEUNEPO-WBVHZDCISA-N 2 2 345.447 1.418 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCN(C)[C@H](c3nc(C)no3)C2)cc1 ZINC000420363588 446542991 /nfs/dbraw/zinc/54/29/91/446542991.db2.gz BPBCFXXOEUNEPO-WBVHZDCISA-N 2 2 345.447 1.418 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)cc[nH+]1 ZINC000418438272 446543992 /nfs/dbraw/zinc/54/39/92/446543992.db2.gz YSJSHGHKNJBQQU-MRXNPFEDSA-N 2 2 340.431 1.317 20 0 EDADLP CC[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1CC(F)F ZINC000420370056 446547954 /nfs/dbraw/zinc/54/79/54/446547954.db2.gz YHEVCJKXALPKDJ-ULQDDVLXSA-N 2 2 341.446 1.579 20 0 EDADLP CC[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1CC(F)F ZINC000420370056 446547959 /nfs/dbraw/zinc/54/79/59/446547959.db2.gz YHEVCJKXALPKDJ-ULQDDVLXSA-N 2 2 341.446 1.579 20 0 EDADLP C[N@H+](C[C@H]1CCCS(=O)(=O)C1)C1CCN(c2cccc[nH+]2)CC1 ZINC000367464477 446549817 /nfs/dbraw/zinc/54/98/17/446549817.db2.gz TUDBXRQVOAXKMB-OAHLLOKOSA-N 2 2 337.489 1.807 20 0 EDADLP C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)C1CCN(c2cccc[nH+]2)CC1 ZINC000367464477 446549820 /nfs/dbraw/zinc/54/98/20/446549820.db2.gz TUDBXRQVOAXKMB-OAHLLOKOSA-N 2 2 337.489 1.807 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420374255 446552072 /nfs/dbraw/zinc/55/20/72/446552072.db2.gz HHRHMVQAKVAOQZ-ZFWWWQNUSA-N 2 2 332.448 1.292 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420374255 446552082 /nfs/dbraw/zinc/55/20/82/446552082.db2.gz HHRHMVQAKVAOQZ-ZFWWWQNUSA-N 2 2 332.448 1.292 20 0 EDADLP C[C@@H]1CSC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367941748 446612455 /nfs/dbraw/zinc/61/24/55/446612455.db2.gz AQZAYEHZLKAXSW-VNQPRFMTSA-N 2 2 340.537 1.548 20 0 EDADLP C[C@@H]1CSC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367941748 446612460 /nfs/dbraw/zinc/61/24/60/446612460.db2.gz AQZAYEHZLKAXSW-VNQPRFMTSA-N 2 2 340.537 1.548 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000420397349 446572069 /nfs/dbraw/zinc/57/20/69/446572069.db2.gz FYMLHXYFDMJCAM-QBPKDAKJSA-N 2 2 325.497 1.615 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000420397349 446572073 /nfs/dbraw/zinc/57/20/73/446572073.db2.gz FYMLHXYFDMJCAM-QBPKDAKJSA-N 2 2 325.497 1.615 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000433479633 446580559 /nfs/dbraw/zinc/58/05/59/446580559.db2.gz IAXDDPDFDOOEJD-KRWDZBQOSA-N 3 2 338.521 1.355 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000433479633 446580566 /nfs/dbraw/zinc/58/05/66/446580566.db2.gz IAXDDPDFDOOEJD-KRWDZBQOSA-N 2 2 338.521 1.355 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418692237 446650111 /nfs/dbraw/zinc/65/01/11/446650111.db2.gz RVFVSJKNMHGOHQ-SZMVWBNQSA-N 2 2 348.491 1.827 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418692237 446650118 /nfs/dbraw/zinc/65/01/18/446650118.db2.gz RVFVSJKNMHGOHQ-SZMVWBNQSA-N 2 2 348.491 1.827 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](C3CC3)C(F)(F)F)C2)CC1 ZINC000376706280 446665453 /nfs/dbraw/zinc/66/54/53/446665453.db2.gz JBPMQGCKJYPXRK-TZMCWYRMSA-N 2 2 348.413 1.795 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](C3CC3)C(F)(F)F)C2)CC1 ZINC000376706280 446665458 /nfs/dbraw/zinc/66/54/58/446665458.db2.gz JBPMQGCKJYPXRK-TZMCWYRMSA-N 2 2 348.413 1.795 20 0 EDADLP C[C@H]1CN(C(=O)C[C@@H](O)CC(C)(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368144340 446666953 /nfs/dbraw/zinc/66/69/53/446666953.db2.gz UNMUGJSWPWJOSC-DOTOQJQBSA-N 2 2 339.524 1.801 20 0 EDADLP C[C@H]1CN(C(=O)C[C@@H](O)CC(C)(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368144340 446666959 /nfs/dbraw/zinc/66/69/59/446666959.db2.gz UNMUGJSWPWJOSC-DOTOQJQBSA-N 2 2 339.524 1.801 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000371102501 446629522 /nfs/dbraw/zinc/62/95/22/446629522.db2.gz ZWAIETPLSMMFIS-KRWDZBQOSA-N 2 2 344.459 1.525 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000371102501 446629524 /nfs/dbraw/zinc/62/95/24/446629524.db2.gz ZWAIETPLSMMFIS-KRWDZBQOSA-N 2 2 344.459 1.525 20 0 EDADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](CC(=O)N2CCNC2=O)CC1 ZINC000371102501 446629528 /nfs/dbraw/zinc/62/95/28/446629528.db2.gz ZWAIETPLSMMFIS-KRWDZBQOSA-N 2 2 344.459 1.525 20 0 EDADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)CC1 ZINC000371102501 446629531 /nfs/dbraw/zinc/62/95/31/446629531.db2.gz ZWAIETPLSMMFIS-KRWDZBQOSA-N 2 2 344.459 1.525 20 0 EDADLP CCN1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000418772365 446691154 /nfs/dbraw/zinc/69/11/54/446691154.db2.gz PTHQSXGBXVMLJM-HUUCEWRRSA-N 2 2 334.468 1.330 20 0 EDADLP C[N@@H+]1CCCC12CCN(c1cc(N3CCC[C@@H](CO)C3)[nH+]cn1)CC2 ZINC000375344708 446738405 /nfs/dbraw/zinc/73/84/05/446738405.db2.gz IEUQZSMDMPSHGG-MRXNPFEDSA-N 2 2 345.491 1.750 20 0 EDADLP C[N@H+]1CCCC12CCN(c1cc(N3CCC[C@@H](CO)C3)[nH+]cn1)CC2 ZINC000375344708 446738412 /nfs/dbraw/zinc/73/84/12/446738412.db2.gz IEUQZSMDMPSHGG-MRXNPFEDSA-N 2 2 345.491 1.750 20 0 EDADLP C[N@@H+]1CCCC12CCN(c1cc(N3CCC[C@@H](CO)C3)nc[nH+]1)CC2 ZINC000375344708 446738419 /nfs/dbraw/zinc/73/84/19/446738419.db2.gz IEUQZSMDMPSHGG-MRXNPFEDSA-N 2 2 345.491 1.750 20 0 EDADLP C[N@H+]1CCCC12CCN(c1cc(N3CCC[C@@H](CO)C3)nc[nH+]1)CC2 ZINC000375344708 446738425 /nfs/dbraw/zinc/73/84/25/446738425.db2.gz IEUQZSMDMPSHGG-MRXNPFEDSA-N 2 2 345.491 1.750 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418780730 446698234 /nfs/dbraw/zinc/69/82/34/446698234.db2.gz YSNUFYPVMPKTHY-IAGOWNOFSA-N 2 2 338.496 1.271 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418780730 446698241 /nfs/dbraw/zinc/69/82/41/446698241.db2.gz YSNUFYPVMPKTHY-IAGOWNOFSA-N 2 2 338.496 1.271 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435628566 446704810 /nfs/dbraw/zinc/70/48/10/446704810.db2.gz VDGQDNAPLHELHR-AWEZNQCLSA-N 2 2 334.420 1.417 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435628566 446704817 /nfs/dbraw/zinc/70/48/17/446704817.db2.gz VDGQDNAPLHELHR-AWEZNQCLSA-N 2 2 334.420 1.417 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000368203111 446706712 /nfs/dbraw/zinc/70/67/12/446706712.db2.gz KECZSFAXIGREJB-NXHRZFHOSA-N 2 2 339.443 1.864 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000368203111 446706716 /nfs/dbraw/zinc/70/67/16/446706716.db2.gz KECZSFAXIGREJB-NXHRZFHOSA-N 2 2 339.443 1.864 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000376786325 446717148 /nfs/dbraw/zinc/71/71/48/446717148.db2.gz DRMDWSWXCAIEGW-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H](O)c3ccccc3)C2)CC1 ZINC000376804327 446729986 /nfs/dbraw/zinc/72/99/86/446729986.db2.gz MHCBTPGMDPMXBE-WMZOPIPTSA-N 2 2 331.460 1.395 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H](O)c3ccccc3)C2)CC1 ZINC000376804327 446729992 /nfs/dbraw/zinc/72/99/92/446729992.db2.gz MHCBTPGMDPMXBE-WMZOPIPTSA-N 2 2 331.460 1.395 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000376819858 446737030 /nfs/dbraw/zinc/73/70/30/446737030.db2.gz QEHXCMVKIQUODU-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376725601 446679245 /nfs/dbraw/zinc/67/92/45/446679245.db2.gz FLRJFGVGUOGSSI-MRXNPFEDSA-N 2 2 346.475 1.525 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376725601 446679250 /nfs/dbraw/zinc/67/92/50/446679250.db2.gz FLRJFGVGUOGSSI-MRXNPFEDSA-N 2 2 346.475 1.525 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000371189017 446680056 /nfs/dbraw/zinc/68/00/56/446680056.db2.gz PEBOAYJOJHCMMF-SJORKVTESA-N 2 2 328.416 1.025 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000371189017 446680062 /nfs/dbraw/zinc/68/00/62/446680062.db2.gz PEBOAYJOJHCMMF-SJORKVTESA-N 2 2 328.416 1.025 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000371189015 446680767 /nfs/dbraw/zinc/68/07/67/446680767.db2.gz PEBOAYJOJHCMMF-IAGOWNOFSA-N 2 2 328.416 1.025 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000371189015 446680770 /nfs/dbraw/zinc/68/07/70/446680770.db2.gz PEBOAYJOJHCMMF-IAGOWNOFSA-N 2 2 328.416 1.025 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000423907238 446757119 /nfs/dbraw/zinc/75/71/19/446757119.db2.gz ATHBEGDGFUCMJW-KBPBESRZSA-N 2 2 338.427 1.592 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000423907238 446757124 /nfs/dbraw/zinc/75/71/24/446757124.db2.gz ATHBEGDGFUCMJW-KBPBESRZSA-N 2 2 338.427 1.592 20 0 EDADLP C[C@H](O)c1cnc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000368293148 446764838 /nfs/dbraw/zinc/76/48/38/446764838.db2.gz VUIHBZFBKVLQFE-KBPBESRZSA-N 2 2 338.521 1.797 20 0 EDADLP C[C@H](O)c1cnc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000368293148 446764843 /nfs/dbraw/zinc/76/48/43/446764843.db2.gz VUIHBZFBKVLQFE-KBPBESRZSA-N 2 2 338.521 1.797 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)[C@H](C[NH3+])C1CC1)CC2 ZINC000423957139 446798382 /nfs/dbraw/zinc/79/83/82/446798382.db2.gz UEQSGAJFDGTFOP-MRXNPFEDSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)[C@H](C[NH3+])C1CC1)CC2 ZINC000423957139 446798384 /nfs/dbraw/zinc/79/83/84/446798384.db2.gz UEQSGAJFDGTFOP-MRXNPFEDSA-N 2 2 347.459 1.258 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375436661 446798770 /nfs/dbraw/zinc/79/87/70/446798770.db2.gz LMFDBNWPGOUZBS-MRXNPFEDSA-N 2 2 349.479 1.472 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000375436661 446798773 /nfs/dbraw/zinc/79/87/73/446798773.db2.gz LMFDBNWPGOUZBS-MRXNPFEDSA-N 2 2 349.479 1.472 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1Cl ZINC000424000716 446816582 /nfs/dbraw/zinc/81/65/82/446816582.db2.gz ONKSQPWGXBHJMC-AWEZNQCLSA-N 2 2 325.840 1.267 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1Cl ZINC000424000716 446816591 /nfs/dbraw/zinc/81/65/91/446816591.db2.gz ONKSQPWGXBHJMC-AWEZNQCLSA-N 2 2 325.840 1.267 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NCCCC[NH+]2CCOCC2)CC1(C)C ZINC000454339725 446850227 /nfs/dbraw/zinc/85/02/27/446850227.db2.gz XZSPXMSHWVDVNJ-HNNXBMFYSA-N 2 2 349.479 1.625 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000368377146 446823191 /nfs/dbraw/zinc/82/31/91/446823191.db2.gz LVKBLAPLCAUBBC-HNNXBMFYSA-N 2 2 334.464 1.405 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CCOC)[C@H](C)C1 ZINC000376933449 446804793 /nfs/dbraw/zinc/80/47/93/446804793.db2.gz PTROCLUXLQUTGD-BRWVUGGUSA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CCOC)[C@H](C)C1 ZINC000376933449 446804798 /nfs/dbraw/zinc/80/47/98/446804798.db2.gz PTROCLUXLQUTGD-BRWVUGGUSA-N 2 2 341.496 1.055 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@H](C)[N@H+]1C ZINC000454375103 446859859 /nfs/dbraw/zinc/85/98/59/446859859.db2.gz RWLPXDBQZVLWCH-OKILXGFUSA-N 2 2 336.505 1.840 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCc3sccc3C2)C[C@H](C)[N@@H+]1C ZINC000454375103 446859863 /nfs/dbraw/zinc/85/98/63/446859863.db2.gz RWLPXDBQZVLWCH-OKILXGFUSA-N 2 2 336.505 1.840 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C[C@H](C)[NH+]1C ZINC000454375103 446859868 /nfs/dbraw/zinc/85/98/68/446859868.db2.gz RWLPXDBQZVLWCH-OKILXGFUSA-N 2 2 336.505 1.840 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3sccc3C2)C[C@H](C)[NH+]1C ZINC000454375103 446859875 /nfs/dbraw/zinc/85/98/75/446859875.db2.gz RWLPXDBQZVLWCH-OKILXGFUSA-N 2 2 336.505 1.840 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000375509303 446860820 /nfs/dbraw/zinc/86/08/20/446860820.db2.gz PWCHJMRDGVIHPT-QBPKDAKJSA-N 2 2 330.476 1.953 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000375509303 446860825 /nfs/dbraw/zinc/86/08/25/446860825.db2.gz PWCHJMRDGVIHPT-QBPKDAKJSA-N 2 2 330.476 1.953 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000419006007 446860833 /nfs/dbraw/zinc/86/08/33/446860833.db2.gz PUJDFSIANQACJH-KRWDZBQOSA-N 2 2 346.475 1.359 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000419006007 446860836 /nfs/dbraw/zinc/86/08/36/446860836.db2.gz PUJDFSIANQACJH-KRWDZBQOSA-N 2 2 346.475 1.359 20 0 EDADLP CCCCCOCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371469687 446874794 /nfs/dbraw/zinc/87/47/94/446874794.db2.gz GERIYNRKHSYVLP-INIZCTEOSA-N 2 2 325.497 1.820 20 0 EDADLP CNC(=O)CC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420915919 446885073 /nfs/dbraw/zinc/88/50/73/446885073.db2.gz NCLZYDALGBAABB-UHFFFAOYSA-N 2 2 345.487 1.867 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917530 446887820 /nfs/dbraw/zinc/88/78/20/446887820.db2.gz SGSMMCDTXZRLDR-MSOLQXFVSA-N 2 2 329.444 1.372 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917530 446887823 /nfs/dbraw/zinc/88/78/23/446887823.db2.gz SGSMMCDTXZRLDR-MSOLQXFVSA-N 2 2 329.444 1.372 20 0 EDADLP COC(=O)C[C@]1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCOC1 ZINC000420921377 446889299 /nfs/dbraw/zinc/88/92/99/446889299.db2.gz LHZMJQFRZYAXGO-LJQANCHMSA-N 2 2 348.443 1.331 20 0 EDADLP C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420923920 446891835 /nfs/dbraw/zinc/89/18/35/446891835.db2.gz RFAPMRZCUZXUHR-LPHOPBHVSA-N 2 2 334.460 1.491 20 0 EDADLP C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420923920 446891838 /nfs/dbraw/zinc/89/18/38/446891838.db2.gz RFAPMRZCUZXUHR-LPHOPBHVSA-N 2 2 334.460 1.491 20 0 EDADLP C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924100 446892571 /nfs/dbraw/zinc/89/25/71/446892571.db2.gz RSDVDRUAIIWSCS-VQIMIIECSA-N 2 2 334.460 1.491 20 0 EDADLP C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924100 446892574 /nfs/dbraw/zinc/89/25/74/446892574.db2.gz RSDVDRUAIIWSCS-VQIMIIECSA-N 2 2 334.460 1.491 20 0 EDADLP C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924424 446894938 /nfs/dbraw/zinc/89/49/38/446894938.db2.gz SPHFYQCWSMNPJO-IBGZPJMESA-N 2 2 331.460 1.749 20 0 EDADLP C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924424 446894939 /nfs/dbraw/zinc/89/49/39/446894939.db2.gz SPHFYQCWSMNPJO-IBGZPJMESA-N 2 2 331.460 1.749 20 0 EDADLP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC1 ZINC000420968915 446938706 /nfs/dbraw/zinc/93/87/06/446938706.db2.gz XNXKZONRLFRQQF-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC1 ZINC000420968915 446938710 /nfs/dbraw/zinc/93/87/10/446938710.db2.gz XNXKZONRLFRQQF-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)NCC3CCC3)CC2)CC1 ZINC000420986124 446962347 /nfs/dbraw/zinc/96/23/47/446962347.db2.gz XWOLFSNSLYTCHM-UHFFFAOYSA-N 2 2 336.524 1.395 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)NCC3CCC3)CC2)CC1 ZINC000420986124 446962351 /nfs/dbraw/zinc/96/23/51/446962351.db2.gz XWOLFSNSLYTCHM-UHFFFAOYSA-N 2 2 336.524 1.395 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)NCC3CCC3)CC2)CC1 ZINC000420986124 446962358 /nfs/dbraw/zinc/96/23/58/446962358.db2.gz XWOLFSNSLYTCHM-UHFFFAOYSA-N 2 2 336.524 1.395 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)NCC3CCC3)CC2)CC1 ZINC000420986124 446962365 /nfs/dbraw/zinc/96/23/65/446962365.db2.gz XWOLFSNSLYTCHM-UHFFFAOYSA-N 2 2 336.524 1.395 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000442793941 446969945 /nfs/dbraw/zinc/96/99/45/446969945.db2.gz SOPXCIYVULAENI-OLZOCXBDSA-N 2 2 337.493 1.347 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000375747722 447019342 /nfs/dbraw/zinc/01/93/42/447019342.db2.gz DUOXLVCACPMFPF-YJBOKZPZSA-N 2 2 346.475 1.535 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000375747722 447019345 /nfs/dbraw/zinc/01/93/45/447019345.db2.gz DUOXLVCACPMFPF-YJBOKZPZSA-N 2 2 346.475 1.535 20 0 EDADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199731 446987232 /nfs/dbraw/zinc/98/72/32/446987232.db2.gz VWZMNLXJTDPNSG-RDJZCZTQSA-N 3 2 336.524 1.297 20 0 EDADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199731 446987234 /nfs/dbraw/zinc/98/72/34/446987234.db2.gz VWZMNLXJTDPNSG-RDJZCZTQSA-N 3 2 336.524 1.297 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2C1 ZINC000372076024 446988928 /nfs/dbraw/zinc/98/89/28/446988928.db2.gz VSBIHPIEVUZCBD-KBXCAEBGSA-N 2 2 327.476 1.918 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2C1 ZINC000372076024 446988933 /nfs/dbraw/zinc/98/89/33/446988933.db2.gz VSBIHPIEVUZCBD-KBXCAEBGSA-N 2 2 327.476 1.918 20 0 EDADLP C[NH+]1CCc2ncnc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2C1 ZINC000372076024 446988937 /nfs/dbraw/zinc/98/89/37/446988937.db2.gz VSBIHPIEVUZCBD-KBXCAEBGSA-N 2 2 327.476 1.918 20 0 EDADLP C[NH+]1CCc2ncnc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2C1 ZINC000372076024 446988943 /nfs/dbraw/zinc/98/89/43/446988943.db2.gz VSBIHPIEVUZCBD-KBXCAEBGSA-N 2 2 327.476 1.918 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000368693658 447043114 /nfs/dbraw/zinc/04/31/14/447043114.db2.gz IRRCPYYCIDITIU-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000368693658 447043118 /nfs/dbraw/zinc/04/31/18/447043118.db2.gz IRRCPYYCIDITIU-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000368693658 447043121 /nfs/dbraw/zinc/04/31/21/447043121.db2.gz IRRCPYYCIDITIU-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000368693658 447043122 /nfs/dbraw/zinc/04/31/22/447043122.db2.gz IRRCPYYCIDITIU-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP Cn1c(NCc2ccc(N3CCOCC3)[nH+]c2)[nH+]c2cccc(F)c21 ZINC000443436125 447050404 /nfs/dbraw/zinc/05/04/04/447050404.db2.gz KXGZLXFQQBWGDW-UHFFFAOYSA-N 2 2 341.390 2.556 20 0 EDADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000377305980 447054214 /nfs/dbraw/zinc/05/42/14/447054214.db2.gz QHGFAHHHALTQQI-GDBMZVCRSA-N 2 2 349.479 1.481 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000377305980 447054216 /nfs/dbraw/zinc/05/42/16/447054216.db2.gz QHGFAHHHALTQQI-GDBMZVCRSA-N 2 2 349.479 1.481 20 0 EDADLP C[NH+](C)CCN(C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1)C1CC1 ZINC000377307947 447055419 /nfs/dbraw/zinc/05/54/19/447055419.db2.gz VMCJNZZOUFCREM-UHFFFAOYSA-N 2 2 333.480 1.278 20 0 EDADLP O=C(OC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1)N1CCOCC1 ZINC000375801762 447063772 /nfs/dbraw/zinc/06/37/72/447063772.db2.gz NHBLLXGEJFSVKT-QGZVFWFLSA-N 2 2 339.480 1.796 20 0 EDADLP O=C(OC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCC1)N1CCOCC1 ZINC000375801762 447063777 /nfs/dbraw/zinc/06/37/77/447063777.db2.gz NHBLLXGEJFSVKT-QGZVFWFLSA-N 2 2 339.480 1.796 20 0 EDADLP CCC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000372263973 447031062 /nfs/dbraw/zinc/03/10/62/447031062.db2.gz DGSKAYPQFCFMGM-UHFFFAOYSA-N 3 2 339.528 1.140 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[NH+]1CCC(O)CC1 ZINC000425314160 447108534 /nfs/dbraw/zinc/10/85/34/447108534.db2.gz MZGAKPXMFUYKQL-KRWDZBQOSA-N 2 2 342.443 1.505 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nn1 ZINC000377352912 447086064 /nfs/dbraw/zinc/08/60/64/447086064.db2.gz QYHGDCOGCRKOTK-RHSMWYFYSA-N 2 2 331.468 1.765 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)nn1 ZINC000377352912 447086070 /nfs/dbraw/zinc/08/60/70/447086070.db2.gz QYHGDCOGCRKOTK-RHSMWYFYSA-N 2 2 331.468 1.765 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421378692 447144302 /nfs/dbraw/zinc/14/43/02/447144302.db2.gz VUSXKCYIPNEURW-UHFFFAOYSA-N 3 2 325.497 1.866 20 0 EDADLP CC(C)C[N@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000377470109 447148449 /nfs/dbraw/zinc/14/84/49/447148449.db2.gz SIQUEHOKCWBLMS-SFHVURJKSA-N 2 2 333.476 1.591 20 0 EDADLP CC(C)C[N@@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000377470109 447148455 /nfs/dbraw/zinc/14/84/55/447148455.db2.gz SIQUEHOKCWBLMS-SFHVURJKSA-N 2 2 333.476 1.591 20 0 EDADLP CC(C)C[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000377470109 447148457 /nfs/dbraw/zinc/14/84/57/447148457.db2.gz SIQUEHOKCWBLMS-SFHVURJKSA-N 2 2 333.476 1.591 20 0 EDADLP CC(C)C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000377470109 447148461 /nfs/dbraw/zinc/14/84/61/447148461.db2.gz SIQUEHOKCWBLMS-SFHVURJKSA-N 2 2 333.476 1.591 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)[nH+]1 ZINC000372572417 447153124 /nfs/dbraw/zinc/15/31/24/447153124.db2.gz RNUPCIZWMYCNNR-YVSFHVDLSA-N 2 2 343.475 1.988 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)[nH+]1 ZINC000372572417 447153130 /nfs/dbraw/zinc/15/31/30/447153130.db2.gz RNUPCIZWMYCNNR-YVSFHVDLSA-N 2 2 343.475 1.988 20 0 EDADLP C[N@H+](CCN1C(=O)CCC1=O)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372576265 447155797 /nfs/dbraw/zinc/15/57/97/447155797.db2.gz UPSPCIPJRDZPSB-YJBOKZPZSA-N 2 2 330.432 1.155 20 0 EDADLP C[N@@H+](CCN1C(=O)CCC1=O)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372576265 447155801 /nfs/dbraw/zinc/15/58/01/447155801.db2.gz UPSPCIPJRDZPSB-YJBOKZPZSA-N 2 2 330.432 1.155 20 0 EDADLP C[NH+](CCN1C(=O)CCC1=O)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372576265 447155808 /nfs/dbraw/zinc/15/58/08/447155808.db2.gz UPSPCIPJRDZPSB-YJBOKZPZSA-N 2 2 330.432 1.155 20 0 EDADLP C[NH+](CCN1C(=O)CCC1=O)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372576265 447155814 /nfs/dbraw/zinc/15/58/14/447155814.db2.gz UPSPCIPJRDZPSB-YJBOKZPZSA-N 2 2 330.432 1.155 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1nc(NCCc2cn(C)c[nH+]2)cc[nH+]1 ZINC000413380621 447163977 /nfs/dbraw/zinc/16/39/77/447163977.db2.gz IZVUPPDQXBMDKX-NVXWUHKLSA-N 2 2 344.463 2.480 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3cn(C(C)C)nn3)CC2)CC1 ZINC000377550173 447197053 /nfs/dbraw/zinc/19/70/53/447197053.db2.gz OCAXLPOCZNKKQG-UHFFFAOYSA-N 2 2 334.512 1.851 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)CC1 ZINC000377558111 447203928 /nfs/dbraw/zinc/20/39/28/447203928.db2.gz FJMGYHJBUZEGDH-IBGZPJMESA-N 2 2 340.471 1.683 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)CC1 ZINC000377558111 447203935 /nfs/dbraw/zinc/20/39/35/447203935.db2.gz FJMGYHJBUZEGDH-IBGZPJMESA-N 2 2 340.471 1.683 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H](C)O1 ZINC000413757585 447236625 /nfs/dbraw/zinc/23/66/25/447236625.db2.gz UCRFXCRFFMGXJJ-OWCLPIDISA-N 2 2 340.512 1.467 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H](C)O1 ZINC000413757585 447236627 /nfs/dbraw/zinc/23/66/27/447236627.db2.gz UCRFXCRFFMGXJJ-OWCLPIDISA-N 2 2 340.512 1.467 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000377674646 447288526 /nfs/dbraw/zinc/28/85/26/447288526.db2.gz NXHPSFDOAPUSRP-HNNXBMFYSA-N 2 2 341.415 1.309 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415456487 447450522 /nfs/dbraw/zinc/45/05/22/447450522.db2.gz KKHRKXPQMUFKHH-SWLSCSKDSA-N 2 2 327.388 1.054 20 0 EDADLP CNc1nc(N2CCC([N@H+](C)C[C@H](C)O)CC2)[nH+]c2ccccc21 ZINC000450320776 447453380 /nfs/dbraw/zinc/45/33/80/447453380.db2.gz OWVCZERXHXNVKO-ZDUSSCGKSA-N 2 2 329.448 1.953 20 0 EDADLP CNc1nc(N2CCC([N@@H+](C)C[C@H](C)O)CC2)[nH+]c2ccccc21 ZINC000450320776 447453385 /nfs/dbraw/zinc/45/33/85/447453385.db2.gz OWVCZERXHXNVKO-ZDUSSCGKSA-N 2 2 329.448 1.953 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389851734 447487263 /nfs/dbraw/zinc/48/72/63/447487263.db2.gz WFIOIYCGCWDHJN-UKBAYJJMSA-N 2 2 336.476 1.509 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389851734 447487267 /nfs/dbraw/zinc/48/72/67/447487267.db2.gz WFIOIYCGCWDHJN-UKBAYJJMSA-N 2 2 336.476 1.509 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000392460461 447523584 /nfs/dbraw/zinc/52/35/84/447523584.db2.gz CHXTXXMDRIKBMR-HIFRSBDPSA-N 2 2 331.416 1.613 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000392460461 447523586 /nfs/dbraw/zinc/52/35/86/447523586.db2.gz CHXTXXMDRIKBMR-HIFRSBDPSA-N 2 2 331.416 1.613 20 0 EDADLP CCC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC)CC[N@@H+]1CCOC ZINC000458976863 447524679 /nfs/dbraw/zinc/52/46/79/447524679.db2.gz BPZFIQVDAQPKPA-HNNXBMFYSA-N 2 2 337.468 1.545 20 0 EDADLP CCC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC)CC[N@H+]1CCOC ZINC000458976863 447524683 /nfs/dbraw/zinc/52/46/83/447524683.db2.gz BPZFIQVDAQPKPA-HNNXBMFYSA-N 2 2 337.468 1.545 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000387912473 447475003 /nfs/dbraw/zinc/47/50/03/447475003.db2.gz XCNNEYHTESOUNK-UHFFFAOYSA-N 2 2 345.274 1.769 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000387912473 447475007 /nfs/dbraw/zinc/47/50/07/447475007.db2.gz XCNNEYHTESOUNK-UHFFFAOYSA-N 2 2 345.274 1.769 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]c(C)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000459084877 447567853 /nfs/dbraw/zinc/56/78/53/447567853.db2.gz UUPDODQLEQVCAD-RDJZCZTQSA-N 2 2 334.464 1.685 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]c(C)cc2C)CC[N@H+]1C[C@H](C)O ZINC000459084877 447567860 /nfs/dbraw/zinc/56/78/60/447567860.db2.gz UUPDODQLEQVCAD-RDJZCZTQSA-N 2 2 334.464 1.685 20 0 EDADLP Cc1cc(C)c(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c[nH+]1 ZINC000459087849 447569784 /nfs/dbraw/zinc/56/97/84/447569784.db2.gz XEWGPFRXMKUTAL-KRWDZBQOSA-N 2 2 334.464 1.590 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416316024 447570244 /nfs/dbraw/zinc/57/02/44/447570244.db2.gz VOADURUKSLESIW-KGLIPLIRSA-N 2 2 330.432 1.258 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416316024 447570249 /nfs/dbraw/zinc/57/02/49/447570249.db2.gz VOADURUKSLESIW-KGLIPLIRSA-N 2 2 330.432 1.258 20 0 EDADLP O=c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)nc(C2CC2)[nH]1 ZINC000459347259 447643121 /nfs/dbraw/zinc/64/31/21/447643121.db2.gz QBSIJKDIZBSSKW-CQSZACIVSA-N 2 2 332.448 1.604 20 0 EDADLP O=c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)nc(C2CC2)[nH]1 ZINC000459347259 447643127 /nfs/dbraw/zinc/64/31/27/447643127.db2.gz QBSIJKDIZBSSKW-CQSZACIVSA-N 2 2 332.448 1.604 20 0 EDADLP COCC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000457553760 447595638 /nfs/dbraw/zinc/59/56/38/447595638.db2.gz JLIJVBBHAVLCHS-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP COCC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000457553760 447595644 /nfs/dbraw/zinc/59/56/44/447595644.db2.gz JLIJVBBHAVLCHS-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP CC(=O)[C@@](C)(O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000450874382 447601895 /nfs/dbraw/zinc/60/18/95/447601895.db2.gz LMMHQMHVMIOCLE-HOCLYGCPSA-N 2 2 325.478 1.545 20 0 EDADLP CC(=O)[C@@](C)(O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000450874382 447601904 /nfs/dbraw/zinc/60/19/04/447601904.db2.gz LMMHQMHVMIOCLE-HOCLYGCPSA-N 2 2 325.478 1.545 20 0 EDADLP CC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000450874382 447601911 /nfs/dbraw/zinc/60/19/11/447601911.db2.gz LMMHQMHVMIOCLE-HOCLYGCPSA-N 2 2 325.478 1.545 20 0 EDADLP CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000450874382 447601916 /nfs/dbraw/zinc/60/19/16/447601916.db2.gz LMMHQMHVMIOCLE-HOCLYGCPSA-N 2 2 325.478 1.545 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457782911 447627706 /nfs/dbraw/zinc/62/77/06/447627706.db2.gz WHVYPNQPZOAOGC-HNNXBMFYSA-N 2 2 335.452 1.030 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457782911 447627711 /nfs/dbraw/zinc/62/77/11/447627711.db2.gz WHVYPNQPZOAOGC-HNNXBMFYSA-N 2 2 335.452 1.030 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc(C)[nH+]1 ZINC000422586781 447655722 /nfs/dbraw/zinc/65/57/22/447655722.db2.gz GRKXHEBCABVJPF-KRWDZBQOSA-N 2 2 344.459 1.401 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC000422594834 447661598 /nfs/dbraw/zinc/66/15/98/447661598.db2.gz XKENKXUEKCXXBU-OAHLLOKOSA-N 2 2 332.448 1.115 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000422594834 447661603 /nfs/dbraw/zinc/66/16/03/447661603.db2.gz XKENKXUEKCXXBU-OAHLLOKOSA-N 2 2 332.448 1.115 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422631491 447679196 /nfs/dbraw/zinc/67/91/96/447679196.db2.gz FPNWOFXJRLTNAZ-GUTXKFCHSA-N 2 2 332.448 1.889 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422631491 447679200 /nfs/dbraw/zinc/67/92/00/447679200.db2.gz FPNWOFXJRLTNAZ-GUTXKFCHSA-N 2 2 332.448 1.889 20 0 EDADLP Cn1c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2oc1=O ZINC000428281872 447687466 /nfs/dbraw/zinc/68/74/66/447687466.db2.gz BUWDESBXDPEGNP-OAHLLOKOSA-N 2 2 331.416 1.286 20 0 EDADLP Cn1c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2oc1=O ZINC000428281872 447687469 /nfs/dbraw/zinc/68/74/69/447687469.db2.gz BUWDESBXDPEGNP-OAHLLOKOSA-N 2 2 331.416 1.286 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000416934687 447714559 /nfs/dbraw/zinc/71/45/59/447714559.db2.gz DWUNLSBNGKQNII-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000422696554 447718734 /nfs/dbraw/zinc/71/87/34/447718734.db2.gz RUIKTRNVIYUOOO-QFBILLFUSA-N 3 2 333.476 1.375 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCS(=O)(=O)Cc1ccccc1 ZINC000422717142 447726910 /nfs/dbraw/zinc/72/69/10/447726910.db2.gz VNJBQHVAIIGFTM-RDJZCZTQSA-N 2 2 340.489 1.348 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2Cc3ccccc3O[C@@H](C)C2)CC1 ZINC000429157095 447731939 /nfs/dbraw/zinc/73/19/39/447731939.db2.gz UIXKVUGJNDGRKA-HOTGVXAUSA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2Cc3ccccc3O[C@@H](C)C2)CC1 ZINC000429157095 447731942 /nfs/dbraw/zinc/73/19/42/447731942.db2.gz UIXKVUGJNDGRKA-HOTGVXAUSA-N 2 2 331.460 1.822 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCC[NH+]3CCOC(C)(C)C3)C2)C1 ZINC000458177897 447737500 /nfs/dbraw/zinc/73/75/00/447737500.db2.gz MYHKETGDMMOXOK-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+]1CCC[C@@]2(CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C2)C1 ZINC000458177897 447737509 /nfs/dbraw/zinc/73/75/09/447737509.db2.gz MYHKETGDMMOXOK-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+]1CCC[C@@]2(CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C2)C1 ZINC000458177897 447737516 /nfs/dbraw/zinc/73/75/16/447737516.db2.gz MYHKETGDMMOXOK-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP CN(C)C(=O)c1cccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422784953 447749230 /nfs/dbraw/zinc/74/92/30/447749230.db2.gz QJBGGXMSYSJWHB-ROUUACIJSA-N 2 2 331.460 1.288 20 0 EDADLP CSCC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000422798218 447753686 /nfs/dbraw/zinc/75/36/86/447753686.db2.gz QDVCDLWHIUAQGI-KFWWJZLASA-N 2 2 349.504 1.880 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496541594 447813537 /nfs/dbraw/zinc/81/35/37/447813537.db2.gz CRFIYUDZBBRLRE-SNPRPXQTSA-N 2 2 327.469 1.287 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496541594 447813538 /nfs/dbraw/zinc/81/35/38/447813538.db2.gz CRFIYUDZBBRLRE-SNPRPXQTSA-N 2 2 327.469 1.287 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496546461 447815537 /nfs/dbraw/zinc/81/55/37/447815537.db2.gz HBBIVXAVXQAMFI-HNNXBMFYSA-N 2 2 338.452 1.807 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496546461 447815539 /nfs/dbraw/zinc/81/55/39/447815539.db2.gz HBBIVXAVXQAMFI-HNNXBMFYSA-N 2 2 338.452 1.807 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107699 447815622 /nfs/dbraw/zinc/81/56/22/447815622.db2.gz BYOCWQIEENFGCQ-AWEZNQCLSA-N 2 2 340.386 1.649 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107699 447815624 /nfs/dbraw/zinc/81/56/24/447815624.db2.gz BYOCWQIEENFGCQ-AWEZNQCLSA-N 2 2 340.386 1.649 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccnn1Cc1cccs1)C1CC1 ZINC000430555503 447777493 /nfs/dbraw/zinc/77/74/93/447777493.db2.gz ISBWLGXGSUVDLR-MRXNPFEDSA-N 2 2 333.461 1.648 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000430554061 447777680 /nfs/dbraw/zinc/77/76/80/447777680.db2.gz MFMLYFWWAKOLNT-SCLBCKFNSA-N 2 2 337.464 1.844 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430555022 447777730 /nfs/dbraw/zinc/77/77/30/447777730.db2.gz HMDCTKBSCMJFQX-RRFJBIMHSA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430555022 447777732 /nfs/dbraw/zinc/77/77/32/447777732.db2.gz HMDCTKBSCMJFQX-RRFJBIMHSA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)[C@H]1CCC[NH2+]1 ZINC000422955531 447780103 /nfs/dbraw/zinc/78/01/03/447780103.db2.gz MPURTVLZPSZFLG-SMDDNHRTSA-N 2 2 340.265 1.909 20 0 EDADLP COC[C@@]1(CO)CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000451927839 447786595 /nfs/dbraw/zinc/78/65/95/447786595.db2.gz NRDUXUXFKRACBK-LPHOPBHVSA-N 2 2 347.459 1.345 20 0 EDADLP COC[C@@]1(CO)CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000451927839 447786600 /nfs/dbraw/zinc/78/66/00/447786600.db2.gz NRDUXUXFKRACBK-LPHOPBHVSA-N 2 2 347.459 1.345 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000422980422 447786992 /nfs/dbraw/zinc/78/69/92/447786992.db2.gz PLCWAMWISBERGH-HOCLYGCPSA-N 2 2 335.448 1.496 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000431020535 447788907 /nfs/dbraw/zinc/78/89/07/447788907.db2.gz BGKMABPWNYVUPT-SFHVURJKSA-N 2 2 340.427 1.434 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423102247 447805409 /nfs/dbraw/zinc/80/54/09/447805409.db2.gz DSEAFAYYAFZEHC-DLBZAZTESA-N 2 2 343.427 1.029 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1c[nH+]ccc1N ZINC000423105450 447805691 /nfs/dbraw/zinc/80/56/91/447805691.db2.gz NIYMZKGJMCJVBY-SUNYJGFJSA-N 3 2 328.464 1.961 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1c[nH+]ccc1N ZINC000423105450 447805696 /nfs/dbraw/zinc/80/56/96/447805696.db2.gz NIYMZKGJMCJVBY-SUNYJGFJSA-N 3 2 328.464 1.961 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000487946953 447838578 /nfs/dbraw/zinc/83/85/78/447838578.db2.gz MEMGZLMYEKMWBU-WNHJNPCNSA-N 2 2 345.487 1.714 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000487946953 447838580 /nfs/dbraw/zinc/83/85/80/447838580.db2.gz MEMGZLMYEKMWBU-WNHJNPCNSA-N 2 2 345.487 1.714 20 0 EDADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000487946953 447838582 /nfs/dbraw/zinc/83/85/82/447838582.db2.gz MEMGZLMYEKMWBU-WNHJNPCNSA-N 2 2 345.487 1.714 20 0 EDADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000487946953 447838584 /nfs/dbraw/zinc/83/85/84/447838584.db2.gz MEMGZLMYEKMWBU-WNHJNPCNSA-N 2 2 345.487 1.714 20 0 EDADLP O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000489147165 447851716 /nfs/dbraw/zinc/85/17/16/447851716.db2.gz GVCKLTQULGPVCC-GOSISDBHSA-N 2 2 349.500 1.239 20 0 EDADLP O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000489147165 447851717 /nfs/dbraw/zinc/85/17/17/447851717.db2.gz GVCKLTQULGPVCC-GOSISDBHSA-N 2 2 349.500 1.239 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000575427347 447859326 /nfs/dbraw/zinc/85/93/26/447859326.db2.gz POIYBPCYQRAHGV-SMDDNHRTSA-N 2 2 349.244 1.524 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000575427347 447859331 /nfs/dbraw/zinc/85/93/31/447859331.db2.gz POIYBPCYQRAHGV-SMDDNHRTSA-N 2 2 349.244 1.524 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496740886 447871334 /nfs/dbraw/zinc/87/13/34/447871334.db2.gz NNWUTXMYJCGJIL-CRAIPNDOSA-N 2 2 341.496 1.678 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496740886 447871340 /nfs/dbraw/zinc/87/13/40/447871340.db2.gz NNWUTXMYJCGJIL-CRAIPNDOSA-N 2 2 341.496 1.678 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496740886 447871345 /nfs/dbraw/zinc/87/13/45/447871345.db2.gz NNWUTXMYJCGJIL-CRAIPNDOSA-N 2 2 341.496 1.678 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496740886 447871349 /nfs/dbraw/zinc/87/13/49/447871349.db2.gz NNWUTXMYJCGJIL-CRAIPNDOSA-N 2 2 341.496 1.678 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000523287371 447877686 /nfs/dbraw/zinc/87/76/86/447877686.db2.gz BJQLAQHHKXZKRV-UHFFFAOYSA-N 2 2 328.420 1.607 20 0 EDADLP COc1ccccc1C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000569912026 447913821 /nfs/dbraw/zinc/91/38/21/447913821.db2.gz KYMNBBLMOGHZIP-IAGOWNOFSA-N 2 2 348.491 1.547 20 0 EDADLP Cc1cn2cc(NC(=O)NCCCC[NH+]3CCN(C)CC3)ccc2[nH+]1 ZINC000524131139 447916536 /nfs/dbraw/zinc/91/65/36/447916536.db2.gz FYFUVYCDUMNOBB-UHFFFAOYSA-N 2 2 344.463 1.792 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)c2ccsc2)CC1 ZINC000552022658 447929223 /nfs/dbraw/zinc/92/92/23/447929223.db2.gz SPASDFOTUQYAEF-UHFFFAOYSA-N 2 2 338.458 1.696 20 0 EDADLP CN(C[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1)C(=O)OC(C)(C)C ZINC000496864890 447982610 /nfs/dbraw/zinc/98/26/10/447982610.db2.gz PWJZSSXBQDNSSX-ZBFHGGJFSA-N 2 2 341.496 1.630 20 0 EDADLP CN(C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1)C(=O)OC(C)(C)C ZINC000496864890 447982612 /nfs/dbraw/zinc/98/26/12/447982612.db2.gz PWJZSSXBQDNSSX-ZBFHGGJFSA-N 2 2 341.496 1.630 20 0 EDADLP CN(C[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1)C(=O)OC(C)(C)C ZINC000496864890 447982617 /nfs/dbraw/zinc/98/26/17/447982617.db2.gz PWJZSSXBQDNSSX-ZBFHGGJFSA-N 2 2 341.496 1.630 20 0 EDADLP CN(C[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1)C(=O)OC(C)(C)C ZINC000496864890 447982619 /nfs/dbraw/zinc/98/26/19/447982619.db2.gz PWJZSSXBQDNSSX-ZBFHGGJFSA-N 2 2 341.496 1.630 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000570398138 448003856 /nfs/dbraw/zinc/00/38/56/448003856.db2.gz ITBGTWFEJSTDLW-HNNXBMFYSA-N 2 2 334.449 1.106 20 0 EDADLP C[NH+](C)[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC000497218350 447972682 /nfs/dbraw/zinc/97/26/82/447972682.db2.gz IXLHPWJVJDSZGW-OAHLLOKOSA-N 2 2 349.479 1.928 20 0 EDADLP CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000576321657 448026057 /nfs/dbraw/zinc/02/60/57/448026057.db2.gz RRKDOFVAHOYDOR-RDTXWAMCSA-N 2 2 333.476 1.760 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)S(C)(=O)=O ZINC000576339226 448030907 /nfs/dbraw/zinc/03/09/07/448030907.db2.gz FBAOEKDWYZVNGC-AWEZNQCLSA-N 2 2 340.489 1.166 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000525826508 448033684 /nfs/dbraw/zinc/03/36/84/448033684.db2.gz BDUWOZWEMNEFLL-GASCZTMLSA-N 3 2 331.464 1.645 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000525826508 448033694 /nfs/dbraw/zinc/03/36/94/448033694.db2.gz BDUWOZWEMNEFLL-GASCZTMLSA-N 3 2 331.464 1.645 20 0 EDADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc(OC)c1Cl ZINC000576567270 448085140 /nfs/dbraw/zinc/08/51/40/448085140.db2.gz VLDHJFKBRCRVMD-LLVKDONJSA-N 2 2 342.827 1.464 20 0 EDADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(OC)c1Cl ZINC000576567270 448085144 /nfs/dbraw/zinc/08/51/44/448085144.db2.gz VLDHJFKBRCRVMD-LLVKDONJSA-N 2 2 342.827 1.464 20 0 EDADLP Cc1ccc(NC(=O)CC[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)nc1 ZINC000556060062 448103294 /nfs/dbraw/zinc/10/32/94/448103294.db2.gz UHJZGKSWDARTNP-UHFFFAOYSA-N 2 2 340.431 1.639 20 0 EDADLP CN(C[C@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1)C(=O)OC(C)(C)C ZINC000497048690 448156395 /nfs/dbraw/zinc/15/63/95/448156395.db2.gz ZJIITKFQPGUAIG-OAHLLOKOSA-N 2 2 348.447 1.694 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2c(c1)OCCO2 ZINC000571186871 448121573 /nfs/dbraw/zinc/12/15/73/448121573.db2.gz KQTZMTLBRYYGAC-GDBMZVCRSA-N 2 2 345.443 1.860 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2c(c1)OCCO2 ZINC000571186871 448121577 /nfs/dbraw/zinc/12/15/77/448121577.db2.gz KQTZMTLBRYYGAC-GDBMZVCRSA-N 2 2 345.443 1.860 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000576879274 448161382 /nfs/dbraw/zinc/16/13/82/448161382.db2.gz ICJLACAHUNJURP-OAHLLOKOSA-N 2 2 339.443 1.934 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000556603904 448123864 /nfs/dbraw/zinc/12/38/64/448123864.db2.gz ZNFKOLYFVOUEFO-MRXNPFEDSA-N 2 2 327.432 1.686 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000556603904 448123867 /nfs/dbraw/zinc/12/38/67/448123867.db2.gz ZNFKOLYFVOUEFO-MRXNPFEDSA-N 2 2 327.432 1.686 20 0 EDADLP Cc1nc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc(N(C)C)[nH+]1 ZINC000531680023 448128255 /nfs/dbraw/zinc/12/82/55/448128255.db2.gz HKWINSCVXNLSRI-INIZCTEOSA-N 2 2 326.448 2.495 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3ncnn3C)c2cc1C ZINC000576747337 448129769 /nfs/dbraw/zinc/12/97/69/448129769.db2.gz QPSGRUGVPVXPTA-ZIAGYGMSSA-N 2 2 328.420 1.493 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000527013043 448138583 /nfs/dbraw/zinc/13/85/83/448138583.db2.gz HTWUENACJFBJRB-UHFFFAOYSA-N 2 2 339.403 1.936 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000576812779 448145048 /nfs/dbraw/zinc/14/50/48/448145048.db2.gz MSOFDZYFDVJDMO-ROUUACIJSA-N 2 2 348.491 1.975 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000576812779 448145052 /nfs/dbraw/zinc/14/50/52/448145052.db2.gz MSOFDZYFDVJDMO-ROUUACIJSA-N 2 2 348.491 1.975 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000576812779 448145058 /nfs/dbraw/zinc/14/50/58/448145058.db2.gz MSOFDZYFDVJDMO-ROUUACIJSA-N 2 2 348.491 1.975 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000576812779 448145061 /nfs/dbraw/zinc/14/50/61/448145061.db2.gz MSOFDZYFDVJDMO-ROUUACIJSA-N 2 2 348.491 1.975 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000556724975 448146048 /nfs/dbraw/zinc/14/60/48/448146048.db2.gz YWICRDGWWSROBF-OAHLLOKOSA-N 2 2 336.505 1.842 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000556724975 448146051 /nfs/dbraw/zinc/14/60/51/448146051.db2.gz YWICRDGWWSROBF-OAHLLOKOSA-N 2 2 336.505 1.842 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000556724975 448146057 /nfs/dbraw/zinc/14/60/57/448146057.db2.gz YWICRDGWWSROBF-OAHLLOKOSA-N 2 2 336.505 1.842 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000556724975 448146061 /nfs/dbraw/zinc/14/60/61/448146061.db2.gz YWICRDGWWSROBF-OAHLLOKOSA-N 2 2 336.505 1.842 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000531961640 448175902 /nfs/dbraw/zinc/17/59/02/448175902.db2.gz CNGDVKRWKCFKGA-RNRVQEDPSA-N 2 2 342.443 1.314 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000531961640 448175904 /nfs/dbraw/zinc/17/59/04/448175904.db2.gz CNGDVKRWKCFKGA-RNRVQEDPSA-N 2 2 342.443 1.314 20 0 EDADLP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000514624513 448176308 /nfs/dbraw/zinc/17/63/08/448176308.db2.gz SJPXEZVFUUJEAS-AWEZNQCLSA-N 2 2 328.420 1.790 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000514624513 448176314 /nfs/dbraw/zinc/17/63/14/448176314.db2.gz SJPXEZVFUUJEAS-AWEZNQCLSA-N 2 2 328.420 1.790 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000514720921 448192232 /nfs/dbraw/zinc/19/22/32/448192232.db2.gz NXZUYRUPPGBSNM-HKUYNNGSSA-N 2 2 346.475 1.268 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000514720921 448192238 /nfs/dbraw/zinc/19/22/38/448192238.db2.gz NXZUYRUPPGBSNM-HKUYNNGSSA-N 2 2 346.475 1.268 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000514720924 448192461 /nfs/dbraw/zinc/19/24/61/448192461.db2.gz NXZUYRUPPGBSNM-MJGOQNOKSA-N 2 2 346.475 1.268 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000514720924 448192467 /nfs/dbraw/zinc/19/24/67/448192467.db2.gz NXZUYRUPPGBSNM-MJGOQNOKSA-N 2 2 346.475 1.268 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC2)c1 ZINC000532232616 448218201 /nfs/dbraw/zinc/21/82/01/448218201.db2.gz ULOJAHOAOVNDSS-UHFFFAOYSA-N 2 2 349.398 1.328 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000532230838 448218761 /nfs/dbraw/zinc/21/87/61/448218761.db2.gz IMTBNLAHINXRDJ-AEFFLSMTSA-N 3 2 332.492 1.338 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000532230838 448218765 /nfs/dbraw/zinc/21/87/65/448218765.db2.gz IMTBNLAHINXRDJ-AEFFLSMTSA-N 3 2 332.492 1.338 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[NH2+]CC3)c[nH+]2)C[C@@H](C)O1 ZINC000514923497 448225159 /nfs/dbraw/zinc/22/51/59/448225159.db2.gz CBGCRDXLMVJCFT-HUUCEWRRSA-N 2 2 347.463 1.200 20 0 EDADLP Cc1cc(C)c(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000571975718 448249221 /nfs/dbraw/zinc/24/92/21/448249221.db2.gz XODKAELWONYCEM-FQEVSTJZSA-N 2 2 339.439 1.952 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)[C@H](C[NH3+])C1 ZINC000577355862 448271751 /nfs/dbraw/zinc/27/17/51/448271751.db2.gz FWZVJDOZLCAPKG-WBMJQRKESA-N 2 2 338.402 1.627 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)[C@H](C[NH3+])C1 ZINC000577355862 448271755 /nfs/dbraw/zinc/27/17/55/448271755.db2.gz FWZVJDOZLCAPKG-WBMJQRKESA-N 2 2 338.402 1.627 20 0 EDADLP C[NH+](C)[C@H]1CCCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000562932691 448275247 /nfs/dbraw/zinc/27/52/47/448275247.db2.gz QSLYUNVHAJLQSL-AWEZNQCLSA-N 2 2 329.448 1.955 20 0 EDADLP CC[N@H+](CC(=O)N[C@@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763542 448307238 /nfs/dbraw/zinc/30/72/38/448307238.db2.gz UNRYZJDYZRHUOQ-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP CC[N@@H+](CC(=O)N[C@@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763542 448307243 /nfs/dbraw/zinc/30/72/43/448307243.db2.gz UNRYZJDYZRHUOQ-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+](CC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763542 448307247 /nfs/dbraw/zinc/30/72/47/448307247.db2.gz UNRYZJDYZRHUOQ-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+](CC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763542 448307254 /nfs/dbraw/zinc/30/72/54/448307254.db2.gz UNRYZJDYZRHUOQ-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(OC)c(Cl)c3)C2)CC1 ZINC000532778806 448312561 /nfs/dbraw/zinc/31/25/61/448312561.db2.gz WIPAFVMUITUQJA-HNNXBMFYSA-N 2 2 338.883 1.955 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(OC)c(Cl)c3)C2)CC1 ZINC000532778806 448312564 /nfs/dbraw/zinc/31/25/64/448312564.db2.gz WIPAFVMUITUQJA-HNNXBMFYSA-N 2 2 338.883 1.955 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527691844 448339326 /nfs/dbraw/zinc/33/93/26/448339326.db2.gz LNPQZIDPZMFDMK-CYBMUJFWSA-N 2 2 335.192 1.884 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527691844 448339330 /nfs/dbraw/zinc/33/93/30/448339330.db2.gz LNPQZIDPZMFDMK-CYBMUJFWSA-N 2 2 335.192 1.884 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000572331324 448346526 /nfs/dbraw/zinc/34/65/26/448346526.db2.gz CZMDHPGPGVNGAN-ZDUSSCGKSA-N 2 2 349.479 1.456 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000572331324 448346531 /nfs/dbraw/zinc/34/65/31/448346531.db2.gz CZMDHPGPGVNGAN-ZDUSSCGKSA-N 2 2 349.479 1.456 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCn2c[nH+]cc2C1 ZINC000582879200 448364147 /nfs/dbraw/zinc/36/41/47/448364147.db2.gz ZVTHJFJXGGYSAU-UHFFFAOYSA-N 2 2 336.399 1.853 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572261221 448331381 /nfs/dbraw/zinc/33/13/81/448331381.db2.gz JJHZHTAFGLZJEO-SFHVURJKSA-N 2 2 327.432 1.662 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCC3)CC2)N1 ZINC000527946981 448395088 /nfs/dbraw/zinc/39/50/88/448395088.db2.gz JEPVTSSJWMJBBX-DBQDNQAGSA-N 2 2 334.464 1.504 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCC3)CC2)N1 ZINC000527946981 448395091 /nfs/dbraw/zinc/39/50/91/448395091.db2.gz JEPVTSSJWMJBBX-DBQDNQAGSA-N 2 2 334.464 1.504 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000516190631 448395197 /nfs/dbraw/zinc/39/51/97/448395197.db2.gz BFTXAJPQCVOLJL-UHFFFAOYSA-N 2 2 344.381 1.048 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)CCC2 ZINC000572550858 448407086 /nfs/dbraw/zinc/40/70/86/448407086.db2.gz BJGDTYMYCADKJV-OWCLPIDISA-N 2 2 349.479 1.165 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C)CCC2 ZINC000572550858 448407090 /nfs/dbraw/zinc/40/70/90/448407090.db2.gz BJGDTYMYCADKJV-OWCLPIDISA-N 2 2 349.479 1.165 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2csc(C[NH3+])n2)C1 ZINC000516059814 448374105 /nfs/dbraw/zinc/37/41/05/448374105.db2.gz NZZPCKAYBOOVRS-LLVKDONJSA-N 2 2 347.444 1.356 20 0 EDADLP CCOc1cc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1OC ZINC000493255278 448380041 /nfs/dbraw/zinc/38/00/41/448380041.db2.gz JZRPXMSOXYRWLI-DDJMYBDESA-N 2 2 333.432 1.208 20 0 EDADLP CCOc1cc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1OC ZINC000493255278 448380044 /nfs/dbraw/zinc/38/00/44/448380044.db2.gz JZRPXMSOXYRWLI-DDJMYBDESA-N 2 2 333.432 1.208 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000533866464 448427314 /nfs/dbraw/zinc/42/73/14/448427314.db2.gz HGMZFSAHVMOFMA-CQSZACIVSA-N 2 2 330.457 1.856 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000533866464 448427318 /nfs/dbraw/zinc/42/73/18/448427318.db2.gz HGMZFSAHVMOFMA-CQSZACIVSA-N 2 2 330.457 1.856 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000528143381 448444895 /nfs/dbraw/zinc/44/48/95/448444895.db2.gz ZOURVNZBJURUHM-GFCCVEGCSA-N 2 2 333.823 2.407 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000528143381 448444902 /nfs/dbraw/zinc/44/49/02/448444902.db2.gz ZOURVNZBJURUHM-GFCCVEGCSA-N 2 2 333.823 2.407 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000578186777 448479089 /nfs/dbraw/zinc/47/90/89/448479089.db2.gz BJLJBTMOGMACBF-RVKKMQEKSA-N 2 2 325.497 1.063 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)CNC2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000578186777 448479094 /nfs/dbraw/zinc/47/90/94/448479094.db2.gz BJLJBTMOGMACBF-RVKKMQEKSA-N 2 2 325.497 1.063 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000528394984 448511486 /nfs/dbraw/zinc/51/14/86/448511486.db2.gz JUIVMZSEQKKQBA-GOSISDBHSA-N 2 2 341.459 1.296 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591867315 448511800 /nfs/dbraw/zinc/51/18/00/448511800.db2.gz ORKOUHWUBXKVPG-MRXNPFEDSA-N 2 2 328.416 1.845 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000591867315 448511805 /nfs/dbraw/zinc/51/18/05/448511805.db2.gz ORKOUHWUBXKVPG-MRXNPFEDSA-N 2 2 328.416 1.845 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)sc2n1 ZINC000591867677 448512744 /nfs/dbraw/zinc/51/27/44/448512744.db2.gz QUMAYKVGHQHBND-GFCCVEGCSA-N 2 2 330.417 1.493 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)sc2n1 ZINC000591867677 448512745 /nfs/dbraw/zinc/51/27/45/448512745.db2.gz QUMAYKVGHQHBND-GFCCVEGCSA-N 2 2 330.417 1.493 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CCN2C1=O ZINC000572986225 448515225 /nfs/dbraw/zinc/51/52/25/448515225.db2.gz BRYIVONBANKJTK-DZGCQCFKSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CCN2C1=O ZINC000572986225 448515232 /nfs/dbraw/zinc/51/52/32/448515232.db2.gz BRYIVONBANKJTK-DZGCQCFKSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)CCN2C1=O ZINC000516981107 448515915 /nfs/dbraw/zinc/51/59/15/448515915.db2.gz JGIICKOXLMRCID-NEPJUHHUSA-N 2 2 329.322 1.329 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)CCN2C1=O ZINC000516981107 448515920 /nfs/dbraw/zinc/51/59/20/448515920.db2.gz JGIICKOXLMRCID-NEPJUHHUSA-N 2 2 329.322 1.329 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000578540127 448575445 /nfs/dbraw/zinc/57/54/45/448575445.db2.gz WKMMVCRDXVMCIQ-OAHLLOKOSA-N 2 2 328.420 1.932 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000578540127 448575452 /nfs/dbraw/zinc/57/54/52/448575452.db2.gz WKMMVCRDXVMCIQ-OAHLLOKOSA-N 2 2 328.420 1.932 20 0 EDADLP Cc1nc(NCCCn2cc[nH+]c2)cc(NCCCn2cc[nH+]c2)[nH+]1 ZINC000536988070 448549424 /nfs/dbraw/zinc/54/94/24/448549424.db2.gz AYXIUYRWNVJMJE-UHFFFAOYSA-N 3 2 340.435 2.182 20 0 EDADLP Cc1nc(NC[C@@H](C2CC2)[NH+](C)C)cc(NC[C@H](C2CC2)[NH+](C)C)[nH+]1 ZINC000539188829 448605567 /nfs/dbraw/zinc/60/55/67/448605567.db2.gz NOAULDXDKBRINX-CALCHBBNSA-N 3 2 346.523 2.289 20 0 EDADLP Cc1nc(NC[C@H](C2CC2)[NH+](C)C)cc(NC[C@@H](C2CC2)[NH+](C)C)[nH+]1 ZINC000539188829 448605573 /nfs/dbraw/zinc/60/55/73/448605573.db2.gz NOAULDXDKBRINX-CALCHBBNSA-N 3 2 346.523 2.289 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCc2nc(C)sc21 ZINC000578597619 448586203 /nfs/dbraw/zinc/58/62/03/448586203.db2.gz GFVCVJMYRKRNMC-HIFRSBDPSA-N 2 2 327.494 1.700 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCc2nc(C)sc21 ZINC000578597619 448586206 /nfs/dbraw/zinc/58/62/06/448586206.db2.gz GFVCVJMYRKRNMC-HIFRSBDPSA-N 2 2 327.494 1.700 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000578597619 448586210 /nfs/dbraw/zinc/58/62/10/448586210.db2.gz GFVCVJMYRKRNMC-HIFRSBDPSA-N 2 2 327.494 1.700 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000578597619 448586212 /nfs/dbraw/zinc/58/62/12/448586212.db2.gz GFVCVJMYRKRNMC-HIFRSBDPSA-N 2 2 327.494 1.700 20 0 EDADLP C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](c2ccccc2)C1 ZINC000540901346 448652403 /nfs/dbraw/zinc/65/24/03/448652403.db2.gz UNCFLRVLEXNXEL-SJLPKXTDSA-N 2 2 338.455 1.976 20 0 EDADLP C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](c2ccccc2)C1 ZINC000540901346 448652410 /nfs/dbraw/zinc/65/24/10/448652410.db2.gz UNCFLRVLEXNXEL-SJLPKXTDSA-N 2 2 338.455 1.976 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000528769279 448668000 /nfs/dbraw/zinc/66/80/00/448668000.db2.gz XBRUVIZDXUEKLO-OCABDXPQSA-N 2 2 346.475 1.520 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(OCC(F)(F)F)nc1)C1CC1 ZINC000578758916 448628946 /nfs/dbraw/zinc/62/89/46/448628946.db2.gz FGHIWYLWFNAGOM-CYBMUJFWSA-N 2 2 333.354 1.567 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(OCC(F)(F)F)nc1)C1CC1 ZINC000578758916 448628949 /nfs/dbraw/zinc/62/89/49/448628949.db2.gz FGHIWYLWFNAGOM-CYBMUJFWSA-N 2 2 333.354 1.567 20 0 EDADLP CC(C)Oc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1Cl ZINC000567408048 448688114 /nfs/dbraw/zinc/68/81/14/448688114.db2.gz UZJLMQHLFIHCGZ-DZGCQCFKSA-N 2 2 337.851 1.871 20 0 EDADLP CC(C)Oc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1Cl ZINC000567408048 448688119 /nfs/dbraw/zinc/68/81/19/448688119.db2.gz UZJLMQHLFIHCGZ-DZGCQCFKSA-N 2 2 337.851 1.871 20 0 EDADLP CN(C(=O)c1cccnn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000528895919 448705680 /nfs/dbraw/zinc/70/56/80/448705680.db2.gz PQBDZEIPHLPZHI-ROUUACIJSA-N 2 2 345.491 1.886 20 0 EDADLP CN(C(=O)c1cccnn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528895919 448705688 /nfs/dbraw/zinc/70/56/88/448705688.db2.gz PQBDZEIPHLPZHI-ROUUACIJSA-N 2 2 345.491 1.886 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)CC1 ZINC000592157911 448716670 /nfs/dbraw/zinc/71/66/70/448716670.db2.gz RNJAXZYQUZWRPU-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000519109140 448742736 /nfs/dbraw/zinc/74/27/36/448742736.db2.gz VGTKGTFMUDSACO-WBVHZDCISA-N 2 2 331.464 1.564 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000519109140 448742741 /nfs/dbraw/zinc/74/27/41/448742741.db2.gz VGTKGTFMUDSACO-WBVHZDCISA-N 2 2 331.464 1.564 20 0 EDADLP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)N1CCOCC1 ZINC000567769013 448756323 /nfs/dbraw/zinc/75/63/23/448756323.db2.gz JIESZVUZVFFTGP-OAHLLOKOSA-N 2 2 335.414 1.714 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000567779501 448759638 /nfs/dbraw/zinc/75/96/38/448759638.db2.gz CNHOBSQIAONDEO-MRXNPFEDSA-N 2 2 340.418 1.108 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCO1 ZINC000579351730 448774938 /nfs/dbraw/zinc/77/49/38/448774938.db2.gz CYYGQEMJVKZNLR-KRWDZBQOSA-N 2 2 328.416 1.050 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000519548806 448783908 /nfs/dbraw/zinc/78/39/08/448783908.db2.gz JOCDZYZBEXBKBV-JQWIXIFHSA-N 2 2 329.322 1.171 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccon1 ZINC000545337234 448791372 /nfs/dbraw/zinc/79/13/72/448791372.db2.gz WACGNLPAMSKYKK-LSVZVQIISA-N 2 2 347.463 1.688 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccon1 ZINC000545337234 448791375 /nfs/dbraw/zinc/79/13/75/448791375.db2.gz WACGNLPAMSKYKK-LSVZVQIISA-N 2 2 347.463 1.688 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)[C@H](C[NH3+])C1 ZINC000529346457 448834385 /nfs/dbraw/zinc/83/43/85/448834385.db2.gz FCORJURSFQEKID-DMRZNYOFSA-N 2 2 334.851 1.262 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)[C@H](C[NH3+])C1 ZINC000529346457 448834391 /nfs/dbraw/zinc/83/43/91/448834391.db2.gz FCORJURSFQEKID-DMRZNYOFSA-N 2 2 334.851 1.262 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529351284 448837279 /nfs/dbraw/zinc/83/72/79/448837279.db2.gz GRMNWSQLNRYYIV-INIZCTEOSA-N 2 2 329.448 1.506 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCn2c[nH+]cc2C1 ZINC000579659490 448842894 /nfs/dbraw/zinc/84/28/94/448842894.db2.gz ZGODCHBAFIADAM-KRWDZBQOSA-N 2 2 339.443 1.930 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCn2c[nH+]cc2C1 ZINC000579659490 448842898 /nfs/dbraw/zinc/84/28/98/448842898.db2.gz ZGODCHBAFIADAM-KRWDZBQOSA-N 2 2 339.443 1.930 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000529367715 448843895 /nfs/dbraw/zinc/84/38/95/448843895.db2.gz QDIGPVVQKJPTBQ-CABCVRRESA-N 2 2 348.495 2.232 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)n1C ZINC000568269753 448847884 /nfs/dbraw/zinc/84/78/84/448847884.db2.gz WHYVLDJTQCDQOV-LBPRGKRZSA-N 2 2 336.461 1.830 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2C)C1 ZINC000574336393 448849114 /nfs/dbraw/zinc/84/91/14/448849114.db2.gz PIRIXDYKWFDDSS-ZDUSSCGKSA-N 2 2 344.463 1.879 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2C)C1 ZINC000574336393 448849120 /nfs/dbraw/zinc/84/91/20/448849120.db2.gz PIRIXDYKWFDDSS-ZDUSSCGKSA-N 2 2 344.463 1.879 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000592474253 448851976 /nfs/dbraw/zinc/85/19/76/448851976.db2.gz LFJTWGYPNITSNQ-NSHDSACASA-N 2 2 327.450 1.841 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000592474253 448851979 /nfs/dbraw/zinc/85/19/79/448851979.db2.gz LFJTWGYPNITSNQ-NSHDSACASA-N 2 2 327.450 1.841 20 0 EDADLP FC(F)(F)c1cccc([C@@H]2C[N@H+](CCN3CC[NH2+]CC3)CCO2)c1 ZINC000579711524 448860265 /nfs/dbraw/zinc/86/02/65/448860265.db2.gz BZBUXNODQFLISZ-INIZCTEOSA-N 2 2 343.393 1.984 20 0 EDADLP FC(F)(F)c1cccc([C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCO2)c1 ZINC000579711524 448860268 /nfs/dbraw/zinc/86/02/68/448860268.db2.gz BZBUXNODQFLISZ-INIZCTEOSA-N 2 2 343.393 1.984 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000574613963 448914294 /nfs/dbraw/zinc/91/42/94/448914294.db2.gz YNVYCWDIJOHNKU-SMDDNHRTSA-N 2 2 333.461 1.931 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000574613963 448914301 /nfs/dbraw/zinc/91/43/01/448914301.db2.gz YNVYCWDIJOHNKU-SMDDNHRTSA-N 2 2 333.461 1.931 20 0 EDADLP COc1cc(F)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000520591811 448914324 /nfs/dbraw/zinc/91/43/24/448914324.db2.gz XBDKYHNDQCOPNQ-AWEZNQCLSA-N 2 2 339.411 1.272 20 0 EDADLP COc1cc(F)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000520591811 448914329 /nfs/dbraw/zinc/91/43/29/448914329.db2.gz XBDKYHNDQCOPNQ-AWEZNQCLSA-N 2 2 339.411 1.272 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000579943233 448914298 /nfs/dbraw/zinc/91/42/98/448914298.db2.gz GUBGKZQNGNIYQF-HUUCEWRRSA-N 2 2 326.412 1.266 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000579943233 448914307 /nfs/dbraw/zinc/91/43/07/448914307.db2.gz GUBGKZQNGNIYQF-HUUCEWRRSA-N 2 2 326.412 1.266 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000588268788 448890281 /nfs/dbraw/zinc/89/02/81/448890281.db2.gz BYHQROKGQGXETD-INIZCTEOSA-N 2 2 349.479 1.656 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000588268788 448890285 /nfs/dbraw/zinc/89/02/85/448890285.db2.gz BYHQROKGQGXETD-INIZCTEOSA-N 2 2 349.479 1.656 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1C1(O)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000574856104 448970796 /nfs/dbraw/zinc/97/07/96/448970796.db2.gz VSCQWWRLAUQJTM-QGZVFWFLSA-N 2 2 347.459 1.303 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1C1(O)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000574856104 448970801 /nfs/dbraw/zinc/97/08/01/448970801.db2.gz VSCQWWRLAUQJTM-QGZVFWFLSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc(-n2cccn2)c1 ZINC000521411063 448982145 /nfs/dbraw/zinc/98/21/45/448982145.db2.gz XNGAMZIZPRARJM-WMLDXEAASA-N 2 2 342.447 1.218 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc(-n2cccn2)c1 ZINC000521411063 448982150 /nfs/dbraw/zinc/98/21/50/448982150.db2.gz XNGAMZIZPRARJM-WMLDXEAASA-N 2 2 342.447 1.218 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000520858009 448937464 /nfs/dbraw/zinc/93/74/64/448937464.db2.gz IFHQHKPHEHYLGC-MRXNPFEDSA-N 2 2 347.463 1.059 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000520858009 448937468 /nfs/dbraw/zinc/93/74/68/448937468.db2.gz IFHQHKPHEHYLGC-MRXNPFEDSA-N 2 2 347.463 1.059 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000569261604 448990853 /nfs/dbraw/zinc/99/08/53/448990853.db2.gz BSHYHFJTFXRQTQ-MRXNPFEDSA-N 2 2 333.480 1.185 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000569261604 448990858 /nfs/dbraw/zinc/99/08/58/448990858.db2.gz BSHYHFJTFXRQTQ-MRXNPFEDSA-N 2 2 333.480 1.185 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000530224097 449086032 /nfs/dbraw/zinc/08/60/32/449086032.db2.gz RGDXWMYDZCDTIH-KRWDZBQOSA-N 2 2 332.423 1.456 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)cn2c1 ZINC000592957680 449080425 /nfs/dbraw/zinc/08/04/25/449080425.db2.gz QQSVNKBFXXHWHG-CYBMUJFWSA-N 2 2 338.415 1.605 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000582249946 449048396 /nfs/dbraw/zinc/04/83/96/449048396.db2.gz DNZREXUFMRLTEK-UONOGXRCSA-N 2 2 334.489 1.601 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000582249946 449048402 /nfs/dbraw/zinc/04/84/02/449048402.db2.gz DNZREXUFMRLTEK-UONOGXRCSA-N 2 2 334.489 1.601 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc2c(c1)OCCCO2 ZINC000569577230 449048652 /nfs/dbraw/zinc/04/86/52/449048652.db2.gz LPKABOIYQMBNHR-LJQANCHMSA-N 2 2 345.443 1.862 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc2c(c1)OCCCO2 ZINC000569577230 449048654 /nfs/dbraw/zinc/04/86/54/449048654.db2.gz LPKABOIYQMBNHR-LJQANCHMSA-N 2 2 345.443 1.862 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000522241625 449066408 /nfs/dbraw/zinc/06/64/08/449066408.db2.gz NDLSCLOKAAKQNT-OAHLLOKOSA-N 2 2 342.447 1.904 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000522241625 449066411 /nfs/dbraw/zinc/06/64/11/449066411.db2.gz NDLSCLOKAAKQNT-OAHLLOKOSA-N 2 2 342.447 1.904 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592965817 449089445 /nfs/dbraw/zinc/08/94/45/449089445.db2.gz SDBCQBZFSMTQHC-CYBMUJFWSA-N 2 2 330.436 1.502 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)cc1 ZINC000530272812 449099444 /nfs/dbraw/zinc/09/94/44/449099444.db2.gz CWQPDRYGZZSMPD-QGZVFWFLSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)cc1 ZINC000530272812 449099450 /nfs/dbraw/zinc/09/94/50/449099450.db2.gz CWQPDRYGZZSMPD-QGZVFWFLSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000530272812 449099453 /nfs/dbraw/zinc/09/94/53/449099453.db2.gz CWQPDRYGZZSMPD-QGZVFWFLSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000530272812 449099457 /nfs/dbraw/zinc/09/94/57/449099457.db2.gz CWQPDRYGZZSMPD-QGZVFWFLSA-N 2 2 331.460 1.870 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000597990450 449174680 /nfs/dbraw/zinc/17/46/80/449174680.db2.gz WHZSRWBRNHCIAM-UHFFFAOYSA-N 2 2 338.452 1.031 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000597990450 449174682 /nfs/dbraw/zinc/17/46/82/449174682.db2.gz WHZSRWBRNHCIAM-UHFFFAOYSA-N 2 2 338.452 1.031 20 0 EDADLP CCn1cc(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000604209538 449193953 /nfs/dbraw/zinc/19/39/53/449193953.db2.gz QBKHUPAMDDIBCF-INIZCTEOSA-N 2 2 348.495 1.213 20 0 EDADLP CCn1cc(CN(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000604209538 449193954 /nfs/dbraw/zinc/19/39/54/449193954.db2.gz QBKHUPAMDDIBCF-INIZCTEOSA-N 2 2 348.495 1.213 20 0 EDADLP CN(C(=O)C(=O)c1ccc(F)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604420311 449228782 /nfs/dbraw/zinc/22/87/82/449228782.db2.gz XEBLSCPHAGRWCR-QGZVFWFLSA-N 2 2 347.434 1.635 20 0 EDADLP CN(C(=O)C(=O)c1ccc(F)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604420311 449228787 /nfs/dbraw/zinc/22/87/87/449228787.db2.gz XEBLSCPHAGRWCR-QGZVFWFLSA-N 2 2 347.434 1.635 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000590670055 449238858 /nfs/dbraw/zinc/23/88/58/449238858.db2.gz ROKFLELQYOKZKW-UHFFFAOYSA-N 3 2 336.399 1.733 20 0 EDADLP Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602195005 449424590 /nfs/dbraw/zinc/42/45/90/449424590.db2.gz JROYKUJTZUKWOF-CVEARBPZSA-N 2 2 333.480 1.346 20 0 EDADLP Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602195005 449424594 /nfs/dbraw/zinc/42/45/94/449424594.db2.gz JROYKUJTZUKWOF-CVEARBPZSA-N 2 2 333.480 1.346 20 0 EDADLP CN(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000602199929 449430124 /nfs/dbraw/zinc/43/01/24/449430124.db2.gz JVFGLNQZYBKRGI-OAHLLOKOSA-N 2 2 331.464 1.046 20 0 EDADLP CN(C)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000602199929 449430128 /nfs/dbraw/zinc/43/01/28/449430128.db2.gz JVFGLNQZYBKRGI-OAHLLOKOSA-N 2 2 331.464 1.046 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000606356679 449452684 /nfs/dbraw/zinc/45/26/84/449452684.db2.gz HQSBIKHIRIOJIQ-QGZVFWFLSA-N 2 2 344.459 1.497 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000606356679 449452688 /nfs/dbraw/zinc/45/26/88/449452688.db2.gz HQSBIKHIRIOJIQ-QGZVFWFLSA-N 2 2 344.459 1.497 20 0 EDADLP CC(C)[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCOCC1 ZINC000606583917 449489943 /nfs/dbraw/zinc/48/99/43/449489943.db2.gz SVTNLURZRVHBRT-OAHLLOKOSA-N 2 2 331.420 1.813 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)cc2n1C ZINC000614065627 449440814 /nfs/dbraw/zinc/44/08/14/449440814.db2.gz RCGCGFOQUBGXDK-GOSISDBHSA-N 2 2 330.432 1.410 20 0 EDADLP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000600777650 449543440 /nfs/dbraw/zinc/54/34/40/449543440.db2.gz VSZBLUBRHJJWSG-UHFFFAOYSA-N 2 2 336.779 1.371 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC000598689085 449546462 /nfs/dbraw/zinc/54/64/62/449546462.db2.gz IMBRCDWGFRCLTE-OAHLLOKOSA-N 2 2 333.480 1.314 20 0 EDADLP CCCCCc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[nH]n1 ZINC000611976736 449500279 /nfs/dbraw/zinc/50/02/79/449500279.db2.gz GBIBPETZFUNOAF-UHFFFAOYSA-N 2 2 335.496 1.898 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000614384745 449587059 /nfs/dbraw/zinc/58/70/59/449587059.db2.gz MMUURXHPCVWEEU-UHFFFAOYSA-N 2 2 336.823 1.679 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000614384745 449587065 /nfs/dbraw/zinc/58/70/65/449587065.db2.gz MMUURXHPCVWEEU-UHFFFAOYSA-N 2 2 336.823 1.679 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)o1 ZINC000594613547 449593953 /nfs/dbraw/zinc/59/39/53/449593953.db2.gz KFDDPLYDUHJSPH-CYBMUJFWSA-N 2 2 337.420 1.052 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)o1 ZINC000594613547 449593959 /nfs/dbraw/zinc/59/39/59/449593959.db2.gz KFDDPLYDUHJSPH-CYBMUJFWSA-N 2 2 337.420 1.052 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614451333 449618403 /nfs/dbraw/zinc/61/84/03/449618403.db2.gz PPSWZWLJTXOHAV-ARFHVFGLSA-N 2 2 332.448 1.237 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CCN2C1=O ZINC000594736344 449656277 /nfs/dbraw/zinc/65/62/77/449656277.db2.gz BPDGUGPUOMZXBM-DOMZBBRYSA-N 2 2 330.819 1.632 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CCN2C1=O ZINC000594736344 449656282 /nfs/dbraw/zinc/65/62/82/449656282.db2.gz BPDGUGPUOMZXBM-DOMZBBRYSA-N 2 2 330.819 1.632 20 0 EDADLP O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000614491302 449643191 /nfs/dbraw/zinc/64/31/91/449643191.db2.gz RZALOJLMAUNNFM-GJZGRUSLSA-N 2 2 332.448 1.085 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000614491302 449643198 /nfs/dbraw/zinc/64/31/98/449643198.db2.gz RZALOJLMAUNNFM-GJZGRUSLSA-N 2 2 332.448 1.085 20 0 EDADLP C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000601116109 449697716 /nfs/dbraw/zinc/69/77/16/449697716.db2.gz OJZQUBWEHGZDAL-NPMXOYFQSA-N 2 2 340.489 1.254 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CCC(C(C)(C)O)CC1 ZINC000617763683 449822467 /nfs/dbraw/zinc/82/24/67/449822467.db2.gz XPQKXUSHRZSQEU-UHFFFAOYSA-N 2 2 327.513 1.563 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CCC(C(C)(C)O)CC1 ZINC000617763683 449822469 /nfs/dbraw/zinc/82/24/69/449822469.db2.gz XPQKXUSHRZSQEU-UHFFFAOYSA-N 2 2 327.513 1.563 20 0 EDADLP CC(=O)N(C)c1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617764199 449825174 /nfs/dbraw/zinc/82/51/74/449825174.db2.gz MKFNUACDSFPITP-UHFFFAOYSA-N 2 2 334.464 1.283 20 0 EDADLP CC(=O)N(C)c1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617764199 449825180 /nfs/dbraw/zinc/82/51/80/449825180.db2.gz MKFNUACDSFPITP-UHFFFAOYSA-N 2 2 334.464 1.283 20 0 EDADLP CC(=O)Nc1ccc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617764965 449827152 /nfs/dbraw/zinc/82/71/52/449827152.db2.gz OFPQXYMFMYIRMH-UHFFFAOYSA-N 2 2 334.464 1.567 20 0 EDADLP CC(=O)Nc1ccc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617764965 449827154 /nfs/dbraw/zinc/82/71/54/449827154.db2.gz OFPQXYMFMYIRMH-UHFFFAOYSA-N 2 2 334.464 1.567 20 0 EDADLP COc1c(F)ccc(F)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765950 449828772 /nfs/dbraw/zinc/82/87/72/449828772.db2.gz XERZBMHZRTUNSC-UHFFFAOYSA-N 2 2 329.391 1.587 20 0 EDADLP COc1c(F)ccc(F)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765950 449828777 /nfs/dbraw/zinc/82/87/77/449828777.db2.gz XERZBMHZRTUNSC-UHFFFAOYSA-N 2 2 329.391 1.587 20 0 EDADLP C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767255 449831815 /nfs/dbraw/zinc/83/18/15/449831815.db2.gz MOVKWHUNQPUPHH-CYBMUJFWSA-N 2 2 343.418 1.732 20 0 EDADLP C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767255 449831817 /nfs/dbraw/zinc/83/18/17/449831817.db2.gz MOVKWHUNQPUPHH-CYBMUJFWSA-N 2 2 343.418 1.732 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000617767356 449831824 /nfs/dbraw/zinc/83/18/24/449831824.db2.gz QSUNGYXNTJJSKW-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000617767356 449831825 /nfs/dbraw/zinc/83/18/25/449831825.db2.gz QSUNGYXNTJJSKW-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(OC(F)F)c1 ZINC000617768549 449833163 /nfs/dbraw/zinc/83/31/63/449833163.db2.gz IXWUXNZZGHMZJL-UHFFFAOYSA-N 2 2 329.391 1.901 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(OC(F)F)c1 ZINC000617768549 449833167 /nfs/dbraw/zinc/83/31/67/449833167.db2.gz IXWUXNZZGHMZJL-UHFFFAOYSA-N 2 2 329.391 1.901 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000617767946 449833202 /nfs/dbraw/zinc/83/32/02/449833202.db2.gz JDLVLOOLDGXZKA-UHFFFAOYSA-N 2 2 343.475 1.415 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000617767946 449833206 /nfs/dbraw/zinc/83/32/06/449833206.db2.gz JDLVLOOLDGXZKA-UHFFFAOYSA-N 2 2 343.475 1.415 20 0 EDADLP COC(=O)c1cccc(OC)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000602847648 449854249 /nfs/dbraw/zinc/85/42/49/449854249.db2.gz AFJBTQRLQZPOBJ-UHFFFAOYSA-N 2 2 348.443 1.778 20 0 EDADLP COC(=O)c1cccc(OC)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000602847648 449854254 /nfs/dbraw/zinc/85/42/54/449854254.db2.gz AFJBTQRLQZPOBJ-UHFFFAOYSA-N 2 2 348.443 1.778 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000597176723 449855962 /nfs/dbraw/zinc/85/59/62/449855962.db2.gz KZFQNPUGQJGREW-HOCLYGCPSA-N 2 2 328.453 1.045 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000608495637 449858446 /nfs/dbraw/zinc/85/84/46/449858446.db2.gz VEGLZLIVTNACGH-GJZGRUSLSA-N 2 2 328.420 1.367 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000608495637 449858451 /nfs/dbraw/zinc/85/84/51/449858451.db2.gz VEGLZLIVTNACGH-GJZGRUSLSA-N 2 2 328.420 1.367 20 0 EDADLP CS[C@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1[NH+](C)C ZINC000601379591 449894986 /nfs/dbraw/zinc/89/49/86/449894986.db2.gz LQJOGFYLNVRSAD-IRXDYDNUSA-N 2 2 344.484 1.919 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000608693752 449912933 /nfs/dbraw/zinc/91/29/33/449912933.db2.gz XDQPREWHLZYUAE-NVXWUHKLSA-N 2 2 338.496 1.223 20 0 EDADLP CSC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000602923103 449924076 /nfs/dbraw/zinc/92/40/76/449924076.db2.gz OMBXXRPXEDNULB-UHFFFAOYSA-N 2 2 337.489 1.751 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCOC[C@H]3[C@H]3CCC[N@H+]3C)ccn12 ZINC000615274529 450039969 /nfs/dbraw/zinc/03/99/69/450039969.db2.gz JNTIQFCBYWWUTR-CVEARBPZSA-N 2 2 328.416 1.578 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCOC[C@H]3[C@H]3CCC[N@@H+]3C)ccn12 ZINC000615274529 450039975 /nfs/dbraw/zinc/03/99/75/450039975.db2.gz JNTIQFCBYWWUTR-CVEARBPZSA-N 2 2 328.416 1.578 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595329900 450044596 /nfs/dbraw/zinc/04/45/96/450044596.db2.gz DOSAMFOWHXNORU-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595329900 450044601 /nfs/dbraw/zinc/04/46/01/450044601.db2.gz DOSAMFOWHXNORU-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000613209411 450080575 /nfs/dbraw/zinc/08/05/75/450080575.db2.gz WNSHVGTUKOIKDF-NVXWUHKLSA-N 2 2 345.491 1.517 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000613209411 450080579 /nfs/dbraw/zinc/08/05/79/450080579.db2.gz WNSHVGTUKOIKDF-NVXWUHKLSA-N 2 2 345.491 1.517 20 0 EDADLP CCOC(=O)C1CC[NH+](Cc2cn(CCc3c[nH+]cn3C)nn2)CC1 ZINC000603251913 450179655 /nfs/dbraw/zinc/17/96/55/450179655.db2.gz YYQQLYZKPPVIBY-UHFFFAOYSA-N 2 2 346.435 1.029 20 0 EDADLP C[C@H](CSCCF)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000603428086 450297728 /nfs/dbraw/zinc/29/77/28/450297728.db2.gz JNJVKLSXMJOOAE-HZPDHXFCSA-N 2 2 333.517 1.464 20 0 EDADLP CC(C)(CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000603583853 450328131 /nfs/dbraw/zinc/32/81/31/450328131.db2.gz IYTGDUZYKZSYMP-UHFFFAOYSA-N 2 2 348.495 1.501 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)CC2 ZINC000625462147 450374889 /nfs/dbraw/zinc/37/48/89/450374889.db2.gz RHCGAFRIFWXHPZ-IRXDYDNUSA-N 2 2 346.475 1.467 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000623303463 450489057 /nfs/dbraw/zinc/48/90/57/450489057.db2.gz CRTJSNBXPVOGKW-DLBZAZTESA-N 2 2 339.443 1.621 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000623303463 450489058 /nfs/dbraw/zinc/48/90/58/450489058.db2.gz CRTJSNBXPVOGKW-DLBZAZTESA-N 2 2 339.443 1.621 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623377831 450508578 /nfs/dbraw/zinc/50/85/78/450508578.db2.gz LSLVQRHOBLHYHI-UHFFFAOYSA-N 2 2 333.411 1.607 20 0 EDADLP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000623617893 450552093 /nfs/dbraw/zinc/55/20/93/450552093.db2.gz UDRDDJJYCOIGJM-HNNXBMFYSA-N 2 2 335.448 1.523 20 0 EDADLP CCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000623617893 450552096 /nfs/dbraw/zinc/55/20/96/450552096.db2.gz UDRDDJJYCOIGJM-HNNXBMFYSA-N 2 2 335.448 1.523 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000623619758 450552852 /nfs/dbraw/zinc/55/28/52/450552852.db2.gz WCQCHDSSKJJRBX-AWEZNQCLSA-N 2 2 336.823 1.911 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000623619758 450552854 /nfs/dbraw/zinc/55/28/54/450552854.db2.gz WCQCHDSSKJJRBX-AWEZNQCLSA-N 2 2 336.823 1.911 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000623632863 450555493 /nfs/dbraw/zinc/55/54/93/450555493.db2.gz RWWSDFANOORWSF-UHFFFAOYSA-N 2 2 335.452 1.207 20 0 EDADLP Cn1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c(-c2cc3ccccc3o2)n1 ZINC000623758187 450578624 /nfs/dbraw/zinc/57/86/24/450578624.db2.gz RWXJRTAMMFYQRF-MRXNPFEDSA-N 2 2 340.427 1.990 20 0 EDADLP Cn1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c(-c2cc3ccccc3o2)n1 ZINC000623758187 450578625 /nfs/dbraw/zinc/57/86/25/450578625.db2.gz RWXJRTAMMFYQRF-MRXNPFEDSA-N 2 2 340.427 1.990 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631574421 450662196 /nfs/dbraw/zinc/66/21/96/450662196.db2.gz FDKGZQJMZAUEEJ-ZWKOTPCHSA-N 2 2 330.476 1.991 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631574421 450662202 /nfs/dbraw/zinc/66/22/02/450662202.db2.gz FDKGZQJMZAUEEJ-ZWKOTPCHSA-N 2 2 330.476 1.991 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633082464 450668550 /nfs/dbraw/zinc/66/85/50/450668550.db2.gz PZOBIWPWEFFNHJ-HNNXBMFYSA-N 2 2 349.504 1.528 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633082464 450668555 /nfs/dbraw/zinc/66/85/55/450668555.db2.gz PZOBIWPWEFFNHJ-HNNXBMFYSA-N 2 2 349.504 1.528 20 0 EDADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624084703 450698496 /nfs/dbraw/zinc/69/84/96/450698496.db2.gz IQCJUZWGNYWTTI-WBVHZDCISA-N 2 2 346.475 1.357 20 0 EDADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624084703 450698499 /nfs/dbraw/zinc/69/84/99/450698499.db2.gz IQCJUZWGNYWTTI-WBVHZDCISA-N 2 2 346.475 1.357 20 0 EDADLP CCC(CC)[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000629554314 450733572 /nfs/dbraw/zinc/73/35/72/450733572.db2.gz FOOXAYLVCNFEJX-QZTJIDSGSA-N 2 2 327.513 1.170 20 0 EDADLP COc1ccc2nc(C[NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)sc2c1 ZINC000629652644 450772258 /nfs/dbraw/zinc/77/22/58/450772258.db2.gz KIAHNSBNGVGJPK-UHFFFAOYSA-N 2 2 331.401 1.549 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566144 450740008 /nfs/dbraw/zinc/74/00/08/450740008.db2.gz MHSMEWZEQSOALA-YNEHKIRRSA-N 2 2 339.402 1.377 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566144 450740010 /nfs/dbraw/zinc/74/00/10/450740010.db2.gz MHSMEWZEQSOALA-YNEHKIRRSA-N 2 2 339.402 1.377 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000629572112 450742961 /nfs/dbraw/zinc/74/29/61/450742961.db2.gz NDJQJMJOCBGAND-UHFFFAOYSA-N 2 2 334.420 1.721 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000629572112 450742970 /nfs/dbraw/zinc/74/29/70/450742970.db2.gz NDJQJMJOCBGAND-UHFFFAOYSA-N 2 2 334.420 1.721 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000626468416 450755058 /nfs/dbraw/zinc/75/50/58/450755058.db2.gz DBRGYCHKQLNBTN-UHFFFAOYSA-N 2 2 332.448 1.921 20 0 EDADLP CC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000633250008 450756762 /nfs/dbraw/zinc/75/67/62/450756762.db2.gz CYSFODWNQSEOFC-CQSZACIVSA-N 2 2 331.464 1.927 20 0 EDADLP CC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000633250008 450756766 /nfs/dbraw/zinc/75/67/66/450756766.db2.gz CYSFODWNQSEOFC-CQSZACIVSA-N 2 2 331.464 1.927 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000629650279 450770684 /nfs/dbraw/zinc/77/06/84/450770684.db2.gz MAHXOKNIYLOIDX-UHFFFAOYSA-N 2 2 335.477 1.163 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc(Cl)c1OCC(N)=O ZINC000629673162 450776858 /nfs/dbraw/zinc/77/68/58/450776858.db2.gz YBMWEZLCNUFGSP-JOYOIKCWSA-N 2 2 327.812 1.053 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)CC2 ZINC000626591978 450817041 /nfs/dbraw/zinc/81/70/41/450817041.db2.gz LCHGFESGBFVTLW-CABCVRRESA-N 2 2 334.464 1.058 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)CC2 ZINC000626591978 450817046 /nfs/dbraw/zinc/81/70/46/450817046.db2.gz LCHGFESGBFVTLW-CABCVRRESA-N 2 2 334.464 1.058 20 0 EDADLP O=C(CN[C@]12CCC[C@@H]1C[NH2+]C2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000631867750 450836175 /nfs/dbraw/zinc/83/61/75/450836175.db2.gz HWNIUMLUSLRRNW-AEFFLSMTSA-N 2 2 348.516 1.124 20 0 EDADLP CC[C@@H](C(=O)N(CC)C1CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000627616458 450847585 /nfs/dbraw/zinc/84/75/85/450847585.db2.gz QBCVBOPRRWDTKE-SJORKVTESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N(CC)C1CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000627616458 450847588 /nfs/dbraw/zinc/84/75/88/450847588.db2.gz QBCVBOPRRWDTKE-SJORKVTESA-N 2 2 325.497 1.819 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1OC ZINC000631887433 450848543 /nfs/dbraw/zinc/84/85/43/450848543.db2.gz RIIIIXFRWMLKDC-UKRRQHHQSA-N 2 2 333.432 1.716 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1OC ZINC000631887433 450848547 /nfs/dbraw/zinc/84/85/47/450848547.db2.gz RIIIIXFRWMLKDC-UKRRQHHQSA-N 2 2 333.432 1.716 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631889999 450850700 /nfs/dbraw/zinc/85/07/00/450850700.db2.gz LMUGBMLLUMXJPT-RDJZCZTQSA-N 2 2 337.489 1.511 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631889999 450850705 /nfs/dbraw/zinc/85/07/05/450850705.db2.gz LMUGBMLLUMXJPT-RDJZCZTQSA-N 2 2 337.489 1.511 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCC3(O)CCC3)CC2)CC1 ZINC000633458796 450861290 /nfs/dbraw/zinc/86/12/90/450861290.db2.gz MQJJIDYJXKPOJY-UHFFFAOYSA-N 2 2 337.508 1.700 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCC3(O)CCC3)CC2)CC1 ZINC000633458796 450861293 /nfs/dbraw/zinc/86/12/93/450861293.db2.gz MQJJIDYJXKPOJY-UHFFFAOYSA-N 2 2 337.508 1.700 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000635401390 450908721 /nfs/dbraw/zinc/90/87/21/450908721.db2.gz KHIIBDASVHJCSL-YPMHNXCESA-N 2 2 330.354 1.977 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000635401390 450908724 /nfs/dbraw/zinc/90/87/24/450908724.db2.gz KHIIBDASVHJCSL-YPMHNXCESA-N 2 2 330.354 1.977 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635496791 450992217 /nfs/dbraw/zinc/99/22/17/450992217.db2.gz SMRJBRCCJVPEBB-QGZVFWFLSA-N 2 2 347.463 1.171 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635496791 450992223 /nfs/dbraw/zinc/99/22/23/450992223.db2.gz SMRJBRCCJVPEBB-QGZVFWFLSA-N 2 2 347.463 1.171 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000622005011 450983445 /nfs/dbraw/zinc/98/34/45/450983445.db2.gz XQWLXHBNPJGSKQ-HNAYVOBHSA-N 2 2 347.459 1.523 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000622005011 450983448 /nfs/dbraw/zinc/98/34/48/450983448.db2.gz XQWLXHBNPJGSKQ-HNAYVOBHSA-N 2 2 347.459 1.523 20 0 EDADLP CN(CCOCC[NH3+])C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000626932592 451015746 /nfs/dbraw/zinc/01/57/46/451015746.db2.gz WJFRPAUPTTVNKW-UHFFFAOYSA-N 2 2 349.479 1.579 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000635593325 451089748 /nfs/dbraw/zinc/08/97/48/451089748.db2.gz WZUJZIIZBLMAIL-YJBOKZPZSA-N 2 2 342.443 1.919 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000635593325 451089751 /nfs/dbraw/zinc/08/97/51/451089751.db2.gz WZUJZIIZBLMAIL-YJBOKZPZSA-N 2 2 342.443 1.919 20 0 EDADLP CO[C@H]1C[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000624986448 451096823 /nfs/dbraw/zinc/09/68/23/451096823.db2.gz KAYZOANRNKLZGE-ILRPZLSSSA-N 2 2 336.480 1.116 20 0 EDADLP CO[C@H]1C[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000624986448 451096825 /nfs/dbraw/zinc/09/68/25/451096825.db2.gz KAYZOANRNKLZGE-ILRPZLSSSA-N 2 2 336.480 1.116 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000627077452 451112790 /nfs/dbraw/zinc/11/27/90/451112790.db2.gz CJOXSVHOTFSYBR-HUUCEWRRSA-N 2 2 348.495 2.137 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2[nH+]1 ZINC000635656200 451140546 /nfs/dbraw/zinc/14/05/46/451140546.db2.gz VHQFGBRYGYBORX-HNNXBMFYSA-N 2 2 328.416 1.437 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(C4CC4)o3)CC2)CC1 ZINC000628163999 451163526 /nfs/dbraw/zinc/16/35/26/451163526.db2.gz AHIDWPISWYHSKK-UHFFFAOYSA-N 2 2 346.475 1.928 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000622522349 451163703 /nfs/dbraw/zinc/16/37/03/451163703.db2.gz WKABMJURIUOXMJ-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000622522349 451163713 /nfs/dbraw/zinc/16/37/13/451163713.db2.gz WKABMJURIUOXMJ-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP CCCN(C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000627179458 451168125 /nfs/dbraw/zinc/16/81/25/451168125.db2.gz TZPJGIBVQJRWQL-OAHLLOKOSA-N 2 2 348.495 2.104 20 0 EDADLP [NH3+]CCCOCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000627217256 451193175 /nfs/dbraw/zinc/19/31/75/451193175.db2.gz KHNCWYUDZXLWJB-UHFFFAOYSA-N 2 2 349.479 1.474 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000634193102 451227903 /nfs/dbraw/zinc/22/79/03/451227903.db2.gz BOSKXDQCNJIICW-KGLIPLIRSA-N 2 2 345.447 1.064 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000635788382 451241341 /nfs/dbraw/zinc/24/13/41/451241341.db2.gz BBLDALMMJZHZBI-QGZVFWFLSA-N 2 2 328.416 1.362 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000635788382 451241345 /nfs/dbraw/zinc/24/13/45/451241345.db2.gz BBLDALMMJZHZBI-QGZVFWFLSA-N 2 2 328.416 1.362 20 0 EDADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000638099915 451264657 /nfs/dbraw/zinc/26/46/57/451264657.db2.gz KGTMVYZKXUYCMR-KGLIPLIRSA-N 2 2 326.448 1.397 20 0 EDADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000638099915 451264664 /nfs/dbraw/zinc/26/46/64/451264664.db2.gz KGTMVYZKXUYCMR-KGLIPLIRSA-N 2 2 326.448 1.397 20 0 EDADLP c1c(C[NH+]2CCN(c3ccccc3)CC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630602913 451271550 /nfs/dbraw/zinc/27/15/50/451271550.db2.gz CQANASYTYXLFJH-INIZCTEOSA-N 2 2 326.448 1.352 20 0 EDADLP C[N@@H+](CC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1)C1CCC1 ZINC000640346874 451274602 /nfs/dbraw/zinc/27/46/02/451274602.db2.gz AVZVMGSBKBLLDY-MRXNPFEDSA-N 2 2 341.521 1.137 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632423790 451276512 /nfs/dbraw/zinc/27/65/12/451276512.db2.gz VMUJFLXFHLSDBD-UHFFFAOYSA-N 2 2 337.468 1.195 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000635830992 451280204 /nfs/dbraw/zinc/28/02/04/451280204.db2.gz VHMNXZZSCYEFDS-OAHLLOKOSA-N 2 2 342.447 1.529 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000635830992 451280207 /nfs/dbraw/zinc/28/02/07/451280207.db2.gz VHMNXZZSCYEFDS-OAHLLOKOSA-N 2 2 342.447 1.529 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)n1cc[nH+]c1 ZINC000635833810 451282678 /nfs/dbraw/zinc/28/26/78/451282678.db2.gz HGDLDEMEVASXIG-JKSUJKDBSA-N 2 2 336.480 1.774 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)n1cc[nH+]c1 ZINC000635833810 451282681 /nfs/dbraw/zinc/28/26/81/451282681.db2.gz HGDLDEMEVASXIG-JKSUJKDBSA-N 2 2 336.480 1.774 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000638114306 451283119 /nfs/dbraw/zinc/28/31/19/451283119.db2.gz YNLAMNWTTXJCPF-OALUTQOASA-N 2 2 347.503 1.810 20 0 EDADLP CC(C)[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+]1CCC(C)CC1 ZINC000636551100 451291261 /nfs/dbraw/zinc/29/12/61/451291261.db2.gz NUWLJZNXSWHNHP-WBVHZDCISA-N 2 2 333.480 1.864 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000638119208 451288248 /nfs/dbraw/zinc/28/82/48/451288248.db2.gz LNHGZUXEPBERAS-KHIZAZIESA-N 2 2 341.402 1.451 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[C@H]1CCSC1 ZINC000640515724 451366257 /nfs/dbraw/zinc/36/62/57/451366257.db2.gz HFCGFJWTNCZAQB-RRFJBIMHSA-N 2 2 341.521 1.039 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[C@H]1CCSC1 ZINC000640515724 451366264 /nfs/dbraw/zinc/36/62/64/451366264.db2.gz HFCGFJWTNCZAQB-RRFJBIMHSA-N 2 2 341.521 1.039 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc3c(c1)C[NH2+]CCO3)CC2 ZINC000638243108 451377293 /nfs/dbraw/zinc/37/72/93/451377293.db2.gz YILZTUQELGBZFX-CYBMUJFWSA-N 2 2 326.400 1.875 20 0 EDADLP CC(C)C[C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)n1cc[nH+]c1 ZINC000638262734 451385973 /nfs/dbraw/zinc/38/59/73/451385973.db2.gz QEAAQCTWAVRFQF-HOTGVXAUSA-N 2 2 334.464 1.684 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638282398 451399209 /nfs/dbraw/zinc/39/92/09/451399209.db2.gz RXATWWSADPECSW-VBQJREDUSA-N 2 2 335.448 1.263 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638282398 451399214 /nfs/dbraw/zinc/39/92/14/451399214.db2.gz RXATWWSADPECSW-VBQJREDUSA-N 2 2 335.448 1.263 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000638290383 451406455 /nfs/dbraw/zinc/40/64/55/451406455.db2.gz RMKDDFWSBZIINY-RHSMWYFYSA-N 2 2 326.400 1.485 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640566464 451411173 /nfs/dbraw/zinc/41/11/73/451411173.db2.gz CQXVOQYGQGRIOV-RBSFLKMASA-N 2 2 334.382 1.423 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640566464 451411177 /nfs/dbraw/zinc/41/11/77/451411177.db2.gz CQXVOQYGQGRIOV-RBSFLKMASA-N 2 2 334.382 1.423 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000635985311 451418486 /nfs/dbraw/zinc/41/84/86/451418486.db2.gz HFIFUADBWNTIED-RHSMWYFYSA-N 2 2 326.400 1.207 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000635985311 451418489 /nfs/dbraw/zinc/41/84/89/451418489.db2.gz HFIFUADBWNTIED-RHSMWYFYSA-N 2 2 326.400 1.207 20 0 EDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636692121 451418784 /nfs/dbraw/zinc/41/87/84/451418784.db2.gz DAJPXHBKJNLWIY-AWEZNQCLSA-N 2 2 349.479 1.385 20 0 EDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636692121 451418790 /nfs/dbraw/zinc/41/87/90/451418790.db2.gz DAJPXHBKJNLWIY-AWEZNQCLSA-N 2 2 349.479 1.385 20 0 EDADLP CN(C)c1cc(NC(=O)NCCCC[NH+]2CCN(C)CC2)cc[nH+]1 ZINC000640602959 451449622 /nfs/dbraw/zinc/44/96/22/451449622.db2.gz JYJZWIKDLANSSV-UHFFFAOYSA-N 2 2 334.468 1.297 20 0 EDADLP CN(C)c1cc(NC(=O)NCCCCN2CC[NH+](C)CC2)cc[nH+]1 ZINC000640602959 451449626 /nfs/dbraw/zinc/44/96/26/451449626.db2.gz JYJZWIKDLANSSV-UHFFFAOYSA-N 2 2 334.468 1.297 20 0 EDADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636034983 451456147 /nfs/dbraw/zinc/45/61/47/451456147.db2.gz LTSKECXWWJILKB-KBPBESRZSA-N 2 2 344.415 1.105 20 0 EDADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636034983 451456151 /nfs/dbraw/zinc/45/61/51/451456151.db2.gz LTSKECXWWJILKB-KBPBESRZSA-N 2 2 344.415 1.105 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379768 451474993 /nfs/dbraw/zinc/47/49/93/451474993.db2.gz MZGUOMPAEPIHFC-HFCFLWKCSA-N 2 2 330.476 1.176 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000628918448 451480927 /nfs/dbraw/zinc/48/09/27/451480927.db2.gz GKAJEHPQECZSJI-SFHVURJKSA-N 2 2 331.460 1.345 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000628918448 451480931 /nfs/dbraw/zinc/48/09/31/451480931.db2.gz GKAJEHPQECZSJI-SFHVURJKSA-N 2 2 331.460 1.345 20 0 EDADLP Cc1cccn2cc(CC[NH2+]C[C@H](O)CC3(O)CCOCC3)[nH+]c12 ZINC000634705550 451482894 /nfs/dbraw/zinc/48/28/94/451482894.db2.gz CDWZAIVKCKYSLU-MRXNPFEDSA-N 2 2 333.432 1.067 20 0 EDADLP OC[C@H](CC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720536 451500592 /nfs/dbraw/zinc/50/05/92/451500592.db2.gz LGABKDYQARIMAT-GJZGRUSLSA-N 2 2 332.366 1.526 20 0 EDADLP OC[C@H](CC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720536 451500595 /nfs/dbraw/zinc/50/05/95/451500595.db2.gz LGABKDYQARIMAT-GJZGRUSLSA-N 2 2 332.366 1.526 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C1CCC1 ZINC000634723252 451503864 /nfs/dbraw/zinc/50/38/64/451503864.db2.gz GYQHHPMXQQVKLE-AZUAARDMSA-N 2 2 343.471 1.366 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000638435637 451515257 /nfs/dbraw/zinc/51/52/57/451515257.db2.gz DQDVLSUOVIGQDU-JKSUJKDBSA-N 2 2 342.443 1.908 20 0 EDADLP O=C(C[N@@H+]1CCO[C@@H](C(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000634753006 451527062 /nfs/dbraw/zinc/52/70/62/451527062.db2.gz WTNKKTVYRUTXAY-CQSZACIVSA-N 2 2 331.407 1.085 20 0 EDADLP O=C(C[N@H+]1CCO[C@@H](C(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000634753006 451527066 /nfs/dbraw/zinc/52/70/66/451527066.db2.gz WTNKKTVYRUTXAY-CQSZACIVSA-N 2 2 331.407 1.085 20 0 EDADLP C[C@H](NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000636814150 451529629 /nfs/dbraw/zinc/52/96/29/451529629.db2.gz UUKWUNPWJCYXAR-KBPBESRZSA-N 2 2 347.463 1.137 20 0 EDADLP C[C@H](NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000636814150 451529637 /nfs/dbraw/zinc/52/96/37/451529637.db2.gz UUKWUNPWJCYXAR-KBPBESRZSA-N 2 2 347.463 1.137 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000636159589 451554079 /nfs/dbraw/zinc/55/40/79/451554079.db2.gz CZZXECIGECRBSS-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@@H]1CC[NH+](C)C1 ZINC000636159589 451554083 /nfs/dbraw/zinc/55/40/83/451554083.db2.gz CZZXECIGECRBSS-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@@H]1CC[NH+](C)C1 ZINC000636159589 451554087 /nfs/dbraw/zinc/55/40/87/451554087.db2.gz CZZXECIGECRBSS-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP C[NH+]1CCC(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631066181 451564072 /nfs/dbraw/zinc/56/40/72/451564072.db2.gz ZRGAWRIMCKRGBV-UHFFFAOYSA-N 3 2 347.503 1.829 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000631080066 451572039 /nfs/dbraw/zinc/57/20/39/451572039.db2.gz NCHWZSHQBPFLNV-ZYHUDNBSSA-N 2 2 331.869 1.560 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000631080066 451572044 /nfs/dbraw/zinc/57/20/44/451572044.db2.gz NCHWZSHQBPFLNV-ZYHUDNBSSA-N 2 2 331.869 1.560 20 0 EDADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000634951178 451620835 /nfs/dbraw/zinc/62/08/35/451620835.db2.gz OUUKVJGYOFQRJY-SFHVURJKSA-N 2 2 344.503 1.765 20 0 EDADLP O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000631255202 451665233 /nfs/dbraw/zinc/66/52/33/451665233.db2.gz WSGFHNBNPDTQNG-HUUCEWRRSA-N 2 2 338.477 1.312 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636293044 451662084 /nfs/dbraw/zinc/66/20/84/451662084.db2.gz IDFMMXMPZIDILN-QGZVFWFLSA-N 2 2 339.443 1.227 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[C@@H]2CCCOC2)CC1 ZINC000636987986 451663401 /nfs/dbraw/zinc/66/34/01/451663401.db2.gz RTONRYROKVKKCL-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000637001100 451672278 /nfs/dbraw/zinc/67/22/78/451672278.db2.gz GTMBJJDGXBBDAL-KRWDZBQOSA-N 2 2 334.439 1.795 20 0 EDADLP CC[NH+]1CCN(CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000631273636 451674609 /nfs/dbraw/zinc/67/46/09/451674609.db2.gz XWSIQQBGCRGYMT-UHFFFAOYSA-N 2 2 341.459 1.169 20 0 EDADLP C[C@H](CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+](C)CC1 ZINC000631277882 451678136 /nfs/dbraw/zinc/67/81/36/451678136.db2.gz MCBOENFZVYUCIG-MRXNPFEDSA-N 2 2 341.459 1.167 20 0 EDADLP C[C@H]1CCn2cc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2C1 ZINC000631258088 451667696 /nfs/dbraw/zinc/66/76/96/451667696.db2.gz MCPUTIGDPVRKNM-GJZGRUSLSA-N 2 2 345.491 1.364 20 0 EDADLP C[C@H]1CCn2cc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2C1 ZINC000631258088 451667699 /nfs/dbraw/zinc/66/76/99/451667699.db2.gz MCPUTIGDPVRKNM-GJZGRUSLSA-N 2 2 345.491 1.364 20 0 EDADLP COc1cccc([C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[NH+](C)C)c1 ZINC000636473116 451725856 /nfs/dbraw/zinc/72/58/56/451725856.db2.gz RPFDLDFGGCMBDT-RHSMWYFYSA-N 2 2 343.431 1.419 20 0 EDADLP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccco1 ZINC000637139166 451738867 /nfs/dbraw/zinc/73/88/67/451738867.db2.gz DYSCDTSOOPETGW-GZBFAFLISA-N 2 2 331.420 1.829 20 0 EDADLP CC(C)C[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)n1cc[nH+]c1 ZINC000638984051 451746137 /nfs/dbraw/zinc/74/61/37/451746137.db2.gz PPQLPWYPMLBUIM-INIZCTEOSA-N 3 2 342.447 1.914 20 0 EDADLP CNC(=O)c1cccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638986415 451747250 /nfs/dbraw/zinc/74/72/50/451747250.db2.gz NJIRJTIPOAFNGJ-UHFFFAOYSA-N 2 2 339.399 1.103 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000639149125 451777727 /nfs/dbraw/zinc/77/77/27/451777727.db2.gz LMCPNCDHMDMAIY-UHFFFAOYSA-N 2 2 340.493 1.560 20 0 EDADLP CN([C@@H](c1nccn1C)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639172010 451784357 /nfs/dbraw/zinc/78/43/57/451784357.db2.gz FYRFFMRJYADOFI-ZWKOTPCHSA-N 2 2 331.508 1.972 20 0 EDADLP CN([C@@H](c1nccn1C)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639172010 451784360 /nfs/dbraw/zinc/78/43/60/451784360.db2.gz FYRFFMRJYADOFI-ZWKOTPCHSA-N 2 2 331.508 1.972 20 0 EDADLP Cn1ccnc1[C@@H](C1CC1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172010 451784363 /nfs/dbraw/zinc/78/43/63/451784363.db2.gz FYRFFMRJYADOFI-ZWKOTPCHSA-N 2 2 331.508 1.972 20 0 EDADLP Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172010 451784365 /nfs/dbraw/zinc/78/43/65/451784365.db2.gz FYRFFMRJYADOFI-ZWKOTPCHSA-N 2 2 331.508 1.972 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc([C@H]([NH3+])C(C)C)nn3)c2cc1C ZINC000641214885 451784528 /nfs/dbraw/zinc/78/45/28/451784528.db2.gz YEKORNNILMNKBR-RDTXWAMCSA-N 2 2 342.447 1.962 20 0 EDADLP COc1ncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000639174467 451785106 /nfs/dbraw/zinc/78/51/06/451785106.db2.gz CIXPRAHPLGYTPH-YIONKMFJSA-N 2 2 336.505 1.895 20 0 EDADLP COc1ncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000639174467 451785107 /nfs/dbraw/zinc/78/51/07/451785107.db2.gz CIXPRAHPLGYTPH-YIONKMFJSA-N 2 2 336.505 1.895 20 0 EDADLP COc1ncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000639174467 451785109 /nfs/dbraw/zinc/78/51/09/451785109.db2.gz CIXPRAHPLGYTPH-YIONKMFJSA-N 2 2 336.505 1.895 20 0 EDADLP COc1ncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000639174467 451785111 /nfs/dbraw/zinc/78/51/11/451785111.db2.gz CIXPRAHPLGYTPH-YIONKMFJSA-N 2 2 336.505 1.895 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000639265104 451801161 /nfs/dbraw/zinc/80/11/61/451801161.db2.gz DLBRNASWEQARHC-QGZVFWFLSA-N 2 2 349.450 1.756 20 0 EDADLP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000639302983 451816885 /nfs/dbraw/zinc/81/68/85/451816885.db2.gz QAYCHIWWHZSPJV-QZTJIDSGSA-N 2 2 326.481 1.615 20 0 EDADLP CO[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000639302983 451816888 /nfs/dbraw/zinc/81/68/88/451816888.db2.gz QAYCHIWWHZSPJV-QZTJIDSGSA-N 2 2 326.481 1.615 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH+](C2CCOCC2)CC1 ZINC000651432439 451822726 /nfs/dbraw/zinc/82/27/26/451822726.db2.gz SDTHLXBVKAPTQX-UHFFFAOYSA-N 2 2 332.448 1.085 20 0 EDADLP O=c1c(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cccn1C(F)F ZINC000639330617 451829787 /nfs/dbraw/zinc/82/97/87/451829787.db2.gz MXUZNYKXRGHAMB-AWEZNQCLSA-N 2 2 327.375 1.274 20 0 EDADLP O=c1c(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cccn1C(F)F ZINC000639330617 451829791 /nfs/dbraw/zinc/82/97/91/451829791.db2.gz MXUZNYKXRGHAMB-AWEZNQCLSA-N 2 2 327.375 1.274 20 0 EDADLP C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H]1C[NH3+] ZINC000646772711 451830815 /nfs/dbraw/zinc/83/08/15/451830815.db2.gz VRPZXBQPRWPYDH-GDBMZVCRSA-N 2 2 333.480 1.218 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNC(=O)c1ccccc1 ZINC000644515610 451835531 /nfs/dbraw/zinc/83/55/31/451835531.db2.gz FKAYSPWUBLJURP-IBGZPJMESA-N 2 2 341.455 1.499 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNC(=O)c1ccccc1 ZINC000644515610 451835533 /nfs/dbraw/zinc/83/55/33/451835533.db2.gz FKAYSPWUBLJURP-IBGZPJMESA-N 2 2 341.455 1.499 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](n2cncn2)C(F)(F)F)CC1 ZINC000639381730 451858429 /nfs/dbraw/zinc/85/84/29/451858429.db2.gz QMAZTDDIYGNNDB-GFCCVEGCSA-N 2 2 335.374 1.206 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442315 451858462 /nfs/dbraw/zinc/85/84/62/451858462.db2.gz DRUCNLYPGMHSHG-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442315 451858467 /nfs/dbraw/zinc/85/84/67/451858467.db2.gz DRUCNLYPGMHSHG-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637442315 451858472 /nfs/dbraw/zinc/85/84/72/451858472.db2.gz DRUCNLYPGMHSHG-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637442315 451858476 /nfs/dbraw/zinc/85/84/76/451858476.db2.gz DRUCNLYPGMHSHG-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000644569286 451867185 /nfs/dbraw/zinc/86/71/85/451867185.db2.gz GEWHSSVYHZECJU-LSDHHAIUSA-N 2 2 345.443 1.108 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC(C)(C)[C@H]3C3CC3)C2)CC1 ZINC000642399011 451875459 /nfs/dbraw/zinc/87/54/59/451875459.db2.gz JSRSZYQJYGGZSL-NVXWUHKLSA-N 2 2 334.508 1.985 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC(C)(C)[C@H]3C3CC3)C2)CC1 ZINC000642399011 451875468 /nfs/dbraw/zinc/87/54/68/451875468.db2.gz JSRSZYQJYGGZSL-NVXWUHKLSA-N 2 2 334.508 1.985 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644584138 451876981 /nfs/dbraw/zinc/87/69/81/451876981.db2.gz JBOITTFKOAZFEZ-HXUWFJFHSA-N 3 2 348.535 1.095 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644584138 451876983 /nfs/dbraw/zinc/87/69/83/451876983.db2.gz JBOITTFKOAZFEZ-HXUWFJFHSA-N 3 2 348.535 1.095 20 0 EDADLP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641384939 451919650 /nfs/dbraw/zinc/91/96/50/451919650.db2.gz YPLBGEVYESOIBM-HNNXBMFYSA-N 2 2 337.489 1.389 20 0 EDADLP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641384939 451919654 /nfs/dbraw/zinc/91/96/54/451919654.db2.gz YPLBGEVYESOIBM-HNNXBMFYSA-N 2 2 337.489 1.389 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)CC2 ZINC000651568896 451923510 /nfs/dbraw/zinc/92/35/10/451923510.db2.gz AWXZVOJXXBRINZ-LSDHHAIUSA-N 2 2 325.416 1.544 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000649282207 451953657 /nfs/dbraw/zinc/95/36/57/451953657.db2.gz NQRSSXLNCJXQIE-HOTGVXAUSA-N 2 2 345.491 1.932 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[C@H]3C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000649282208 451954647 /nfs/dbraw/zinc/95/46/47/451954647.db2.gz NQRSSXLNCJXQIE-JKSUJKDBSA-N 2 2 345.491 1.932 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@@]1([NH3+])CCN(C)C1)Cc1ccccc1 ZINC000649292628 451969436 /nfs/dbraw/zinc/96/94/36/451969436.db2.gz UFAITNCIPJBGII-PKOBYXMFSA-N 2 2 332.492 1.089 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000642857554 451974486 /nfs/dbraw/zinc/97/44/86/451974486.db2.gz RICOPCKGEVGSLL-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000642857554 451974489 /nfs/dbraw/zinc/97/44/89/451974489.db2.gz RICOPCKGEVGSLL-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306581 451983921 /nfs/dbraw/zinc/98/39/21/451983921.db2.gz ZCPLLNGICRNGPT-HLIPFELVSA-N 2 2 343.471 1.651 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000639641588 451992848 /nfs/dbraw/zinc/99/28/48/451992848.db2.gz KFQNEDZQDKWEHO-LBPRGKRZSA-N 2 2 332.370 1.743 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000639641588 451992855 /nfs/dbraw/zinc/99/28/55/451992855.db2.gz KFQNEDZQDKWEHO-LBPRGKRZSA-N 2 2 332.370 1.743 20 0 EDADLP Cc1cncc(CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000644795606 451993973 /nfs/dbraw/zinc/99/39/73/451993973.db2.gz FVBLKYWGDYQAOP-LJQANCHMSA-N 2 2 344.503 1.950 20 0 EDADLP Cc1cncc(CCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000644795606 451993975 /nfs/dbraw/zinc/99/39/75/451993975.db2.gz FVBLKYWGDYQAOP-LJQANCHMSA-N 2 2 344.503 1.950 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000653555168 452012470 /nfs/dbraw/zinc/01/24/70/452012470.db2.gz MWUMTJHPCSUYPR-RTBURBONSA-N 2 2 339.524 1.802 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000653555168 452012478 /nfs/dbraw/zinc/01/24/78/452012478.db2.gz MWUMTJHPCSUYPR-RTBURBONSA-N 2 2 339.524 1.802 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000653557508 452014809 /nfs/dbraw/zinc/01/48/09/452014809.db2.gz XXQPVOXEHBRCOT-GJZGRUSLSA-N 2 2 334.382 1.815 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000653557508 452014811 /nfs/dbraw/zinc/01/48/11/452014811.db2.gz XXQPVOXEHBRCOT-GJZGRUSLSA-N 2 2 334.382 1.815 20 0 EDADLP C[N@@H+]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000637682550 452017105 /nfs/dbraw/zinc/01/71/05/452017105.db2.gz QDGRWDXADHOWDX-UHFFFAOYSA-N 2 2 349.504 1.482 20 0 EDADLP C[N@H+]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000637682550 452017111 /nfs/dbraw/zinc/01/71/11/452017111.db2.gz QDGRWDXADHOWDX-UHFFFAOYSA-N 2 2 349.504 1.482 20 0 EDADLP CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641493022 452025623 /nfs/dbraw/zinc/02/56/23/452025623.db2.gz AFMLNDLLJBGIPG-UHFFFAOYSA-N 2 2 342.509 1.799 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)cc(OC)c1 ZINC000649346520 452028607 /nfs/dbraw/zinc/02/86/07/452028607.db2.gz MZHCHLJSKZAOCO-GASCZTMLSA-N 2 2 333.432 1.085 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)o1 ZINC000649346008 452028725 /nfs/dbraw/zinc/02/87/25/452028725.db2.gz VPVSLQOACPHMOJ-LSDHHAIUSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)o1 ZINC000649346008 452028727 /nfs/dbraw/zinc/02/87/27/452028727.db2.gz VPVSLQOACPHMOJ-LSDHHAIUSA-N 2 2 334.464 1.973 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000653611536 452041202 /nfs/dbraw/zinc/04/12/02/452041202.db2.gz BNPOJKRTABUKQM-UONOGXRCSA-N 2 2 331.254 1.385 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000653611536 452041204 /nfs/dbraw/zinc/04/12/04/452041204.db2.gz BNPOJKRTABUKQM-UONOGXRCSA-N 2 2 331.254 1.385 20 0 EDADLP COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000651759614 452059439 /nfs/dbraw/zinc/05/94/39/452059439.db2.gz XHHRJLVNNDKUPE-CABCVRRESA-N 2 2 336.480 1.952 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000643200059 452066042 /nfs/dbraw/zinc/06/60/42/452066042.db2.gz RXKDKUWZWQVVGX-AWEZNQCLSA-N 2 2 336.436 1.111 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000643200059 452066047 /nfs/dbraw/zinc/06/60/47/452066047.db2.gz RXKDKUWZWQVVGX-AWEZNQCLSA-N 2 2 336.436 1.111 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)c1 ZINC000649414791 452078177 /nfs/dbraw/zinc/07/81/77/452078177.db2.gz XXWMIDDHANUAQX-CYBMUJFWSA-N 3 2 330.436 1.901 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)c1 ZINC000649414791 452078186 /nfs/dbraw/zinc/07/81/86/452078186.db2.gz XXWMIDDHANUAQX-CYBMUJFWSA-N 3 2 330.436 1.901 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CCN(Cc3nc(C(C)(C)[NH3+])no3)C2)c1 ZINC000649414791 452078190 /nfs/dbraw/zinc/07/81/90/452078190.db2.gz XXWMIDDHANUAQX-CYBMUJFWSA-N 2 2 330.436 1.901 20 0 EDADLP O=C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000649419490 452081575 /nfs/dbraw/zinc/08/15/75/452081575.db2.gz RZQDISXTBBUAEL-DOTOQJQBSA-N 2 2 348.516 1.076 20 0 EDADLP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000653738018 452095730 /nfs/dbraw/zinc/09/57/30/452095730.db2.gz IFNPZBAMYMJDAC-SJORKVTESA-N 2 2 347.459 1.206 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000639761244 452099517 /nfs/dbraw/zinc/09/95/17/452099517.db2.gz FPNWCYPHGILLCU-OALUTQOASA-N 2 2 333.476 1.280 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000639761244 452099525 /nfs/dbraw/zinc/09/95/25/452099525.db2.gz FPNWCYPHGILLCU-OALUTQOASA-N 2 2 333.476 1.280 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000647176312 452107373 /nfs/dbraw/zinc/10/73/73/452107373.db2.gz BEZOAJFEIPZEAJ-UHFFFAOYSA-N 2 2 341.452 1.580 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000637863347 452119858 /nfs/dbraw/zinc/11/98/58/452119858.db2.gz AQJVUSRZWPLORP-CYBMUJFWSA-N 2 2 329.366 1.739 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000637863347 452119865 /nfs/dbraw/zinc/11/98/65/452119865.db2.gz AQJVUSRZWPLORP-CYBMUJFWSA-N 2 2 329.366 1.739 20 0 EDADLP COc1cc(C)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1OC ZINC000651890532 452146502 /nfs/dbraw/zinc/14/65/02/452146502.db2.gz HACZCBAJAOUZTA-UHFFFAOYSA-N 2 2 335.448 1.218 20 0 EDADLP COc1cc(C)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1OC ZINC000651890532 452146508 /nfs/dbraw/zinc/14/65/08/452146508.db2.gz HACZCBAJAOUZTA-UHFFFAOYSA-N 2 2 335.448 1.218 20 0 EDADLP CC[N@H+](CC(=O)N(C)C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637908044 452157186 /nfs/dbraw/zinc/15/71/86/452157186.db2.gz XUIMHSFHAYDFJS-UHFFFAOYSA-N 2 2 349.475 1.308 20 0 EDADLP CC[N@@H+](CC(=O)N(C)C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637908044 452157192 /nfs/dbraw/zinc/15/71/92/452157192.db2.gz XUIMHSFHAYDFJS-UHFFFAOYSA-N 2 2 349.475 1.308 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)o1 ZINC000653884689 452160064 /nfs/dbraw/zinc/16/00/64/452160064.db2.gz CHWVKNNZBLLCRN-GASCZTMLSA-N 2 2 337.464 1.649 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)o1 ZINC000653884689 452160069 /nfs/dbraw/zinc/16/00/69/452160069.db2.gz CHWVKNNZBLLCRN-GASCZTMLSA-N 2 2 337.464 1.649 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000645183300 452198697 /nfs/dbraw/zinc/19/86/97/452198697.db2.gz UDSFIHVUCSJQQK-LSDHHAIUSA-N 2 2 336.505 1.152 20 0 EDADLP Nc1nc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c2c([nH+]1)CCCC2 ZINC000645189643 452203569 /nfs/dbraw/zinc/20/35/69/452203569.db2.gz RFYPYUBAPNCYGT-HZPDHXFCSA-N 2 2 331.464 1.415 20 0 EDADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccncc3N)cc2)CC1 ZINC000641707841 452213550 /nfs/dbraw/zinc/21/35/50/452213550.db2.gz LCZTYAWVERGJEZ-UHFFFAOYSA-N 2 2 325.460 1.701 20 0 EDADLP Cc1nc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000639882730 452216335 /nfs/dbraw/zinc/21/63/35/452216335.db2.gz BEZKQEQAYKXSJD-UHFFFAOYSA-N 2 2 325.482 1.941 20 0 EDADLP Cc1nc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000639882730 452216339 /nfs/dbraw/zinc/21/63/39/452216339.db2.gz BEZKQEQAYKXSJD-UHFFFAOYSA-N 2 2 325.482 1.941 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645222627 452218580 /nfs/dbraw/zinc/21/85/80/452218580.db2.gz WQAZBUMPWLYWKJ-NVXWUHKLSA-N 2 2 331.460 1.646 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000639897053 452222878 /nfs/dbraw/zinc/22/28/78/452222878.db2.gz XIYNCHYSNIGYHQ-MSOLQXFVSA-N 2 2 340.508 1.475 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643452322 452229850 /nfs/dbraw/zinc/22/98/50/452229850.db2.gz GWATWGKXYRFCOG-QRFRQXIXSA-N 3 2 330.520 1.703 20 0 EDADLP Cn1c[nH+]cc1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000649750538 452230034 /nfs/dbraw/zinc/23/00/34/452230034.db2.gz QSQLCJRQTMUDTB-RTBURBONSA-N 2 2 326.444 1.895 20 0 EDADLP Cn1c[nH+]cc1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000649750538 452230039 /nfs/dbraw/zinc/23/00/39/452230039.db2.gz QSQLCJRQTMUDTB-RTBURBONSA-N 2 2 326.444 1.895 20 0 EDADLP c1ccc(C[N@H+]2CC[C@@H]3OCCN(CC[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000649750703 452230776 /nfs/dbraw/zinc/23/07/76/452230776.db2.gz WIMNYGXQXHYCJT-PMACEKPBSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@@H]3OCCN(CC[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000649750703 452230783 /nfs/dbraw/zinc/23/07/83/452230783.db2.gz WIMNYGXQXHYCJT-PMACEKPBSA-N 2 2 345.487 1.294 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000638006832 452244847 /nfs/dbraw/zinc/24/48/47/452244847.db2.gz SJOIFLUZPHTPJI-KRWDZBQOSA-N 2 2 346.475 1.665 20 0 EDADLP O=C1[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CCCN1Cc1ccccn1 ZINC000657433245 452246607 /nfs/dbraw/zinc/24/66/07/452246607.db2.gz YRUOUTILNIWWLQ-MRXNPFEDSA-N 2 2 325.416 1.505 20 0 EDADLP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641785946 452255779 /nfs/dbraw/zinc/25/57/79/452255779.db2.gz GYIMPOFGYVXCCI-MJGOQNOKSA-N 2 2 349.523 1.911 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000641788358 452263294 /nfs/dbraw/zinc/26/32/94/452263294.db2.gz YTOYEKKHWSDLCT-ZBFHGGJFSA-N 2 2 338.521 1.899 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000647530128 452265386 /nfs/dbraw/zinc/26/53/86/452265386.db2.gz QMXMSGZFNXWGCK-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000647530128 452265390 /nfs/dbraw/zinc/26/53/90/452265390.db2.gz QMXMSGZFNXWGCK-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)ccn1 ZINC000641788381 452265833 /nfs/dbraw/zinc/26/58/33/452265833.db2.gz ZHHLODYPZVHXOO-SJLPKXTDSA-N 2 2 348.491 1.537 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1cccc(F)c1 ZINC000659430211 452273562 /nfs/dbraw/zinc/27/35/62/452273562.db2.gz UPVCDAALYCYITP-KVIBHRHWSA-N 2 2 343.406 1.700 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000665754719 452322478 /nfs/dbraw/zinc/32/24/78/452322478.db2.gz YCXZVRFBMVCRSF-INIZCTEOSA-N 2 2 341.459 1.879 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000665754719 452322485 /nfs/dbraw/zinc/32/24/85/452322485.db2.gz YCXZVRFBMVCRSF-INIZCTEOSA-N 2 2 341.459 1.879 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665760742 452330152 /nfs/dbraw/zinc/33/01/52/452330152.db2.gz OKDVLGRTJYCHMJ-GVDBMIGSSA-N 3 2 341.544 1.383 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665760742 452330167 /nfs/dbraw/zinc/33/01/67/452330167.db2.gz OKDVLGRTJYCHMJ-GVDBMIGSSA-N 3 2 341.544 1.383 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665760742 452330179 /nfs/dbraw/zinc/33/01/79/452330179.db2.gz OKDVLGRTJYCHMJ-GVDBMIGSSA-N 3 2 341.544 1.383 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665760742 452330189 /nfs/dbraw/zinc/33/01/89/452330189.db2.gz OKDVLGRTJYCHMJ-GVDBMIGSSA-N 3 2 341.544 1.383 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000638059047 452349504 /nfs/dbraw/zinc/34/95/04/452349504.db2.gz FEDSSNBRFJTVKT-QAPCUYQASA-N 2 2 332.448 1.455 20 0 EDADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000655552154 452368771 /nfs/dbraw/zinc/36/87/71/452368771.db2.gz PJXFEZHSRFWMNE-QGZVFWFLSA-N 2 2 345.491 1.666 20 0 EDADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000655552154 452368780 /nfs/dbraw/zinc/36/87/80/452368780.db2.gz PJXFEZHSRFWMNE-QGZVFWFLSA-N 2 2 345.491 1.666 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCc4cccc(O)c43)C2)CC1 ZINC000645407725 452378453 /nfs/dbraw/zinc/37/84/53/452378453.db2.gz UVCMBXDKFPHGRR-WBVHZDCISA-N 2 2 343.471 1.707 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCc4cccc(O)c43)C2)CC1 ZINC000645407725 452378457 /nfs/dbraw/zinc/37/84/57/452378457.db2.gz UVCMBXDKFPHGRR-WBVHZDCISA-N 2 2 343.471 1.707 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000638070801 452378571 /nfs/dbraw/zinc/37/85/71/452378571.db2.gz AONMVVLRAJTBMS-QZTJIDSGSA-N 2 2 332.492 1.246 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000638070801 452378581 /nfs/dbraw/zinc/37/85/81/452378581.db2.gz AONMVVLRAJTBMS-QZTJIDSGSA-N 2 2 332.492 1.246 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)C[C@H]3COCCO3)c2cc1C ZINC000661606779 452420883 /nfs/dbraw/zinc/42/08/83/452420883.db2.gz UUNPQGDBKVELPW-HOTGVXAUSA-N 2 2 333.432 1.361 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)C[C@H]3COCCO3)c2cc1C ZINC000661606779 452420889 /nfs/dbraw/zinc/42/08/89/452420889.db2.gz UUNPQGDBKVELPW-HOTGVXAUSA-N 2 2 333.432 1.361 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C(C)(C)CO ZINC000663690655 452428785 /nfs/dbraw/zinc/42/87/85/452428785.db2.gz ZRYNZPXFMUYOGR-DZGCQCFKSA-N 2 2 349.479 1.263 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000663690655 452428791 /nfs/dbraw/zinc/42/87/91/452428791.db2.gz ZRYNZPXFMUYOGR-DZGCQCFKSA-N 2 2 349.479 1.263 20 0 EDADLP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCn2c[nH+]cc2C1 ZINC000659584054 452439624 /nfs/dbraw/zinc/43/96/24/452439624.db2.gz WSBAMELICZZTQY-IRXDYDNUSA-N 2 2 343.406 1.693 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000665887295 452442032 /nfs/dbraw/zinc/44/20/32/452442032.db2.gz LFYJJMGWADKOAU-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000665887295 452442040 /nfs/dbraw/zinc/44/20/40/452442040.db2.gz LFYJJMGWADKOAU-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000652287183 452470399 /nfs/dbraw/zinc/47/03/99/452470399.db2.gz QCIMDDAGXQCEOT-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c2[nH+]ccn21 ZINC000645529851 452500546 /nfs/dbraw/zinc/50/05/46/452500546.db2.gz KSAWGXYPDWGTDL-UONOGXRCSA-N 2 2 333.436 1.395 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652335576 452504325 /nfs/dbraw/zinc/50/43/25/452504325.db2.gz SEABMZZVANZIKY-HNNXBMFYSA-N 2 2 337.489 1.559 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652335576 452504334 /nfs/dbraw/zinc/50/43/34/452504334.db2.gz SEABMZZVANZIKY-HNNXBMFYSA-N 2 2 337.489 1.559 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655685851 452508331 /nfs/dbraw/zinc/50/83/31/452508331.db2.gz RFFCEIXMFVGQQD-SFHVURJKSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@@H](Cc1ccccn1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654445475 452508469 /nfs/dbraw/zinc/50/84/69/452508469.db2.gz SFDMBJGAXNNRRX-RDJZCZTQSA-N 2 2 345.491 1.480 20 0 EDADLP C[C@@H](Cc1ccccn1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654445475 452508478 /nfs/dbraw/zinc/50/84/78/452508478.db2.gz SFDMBJGAXNNRRX-RDJZCZTQSA-N 2 2 345.491 1.480 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000652341426 452513550 /nfs/dbraw/zinc/51/35/50/452513550.db2.gz OUMKXEATOMMOQK-AABGKKOBSA-N 3 2 331.504 1.943 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000652341426 452513560 /nfs/dbraw/zinc/51/35/60/452513560.db2.gz OUMKXEATOMMOQK-AABGKKOBSA-N 3 2 331.504 1.943 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000652341426 452513566 /nfs/dbraw/zinc/51/35/66/452513566.db2.gz OUMKXEATOMMOQK-AABGKKOBSA-N 3 2 331.504 1.943 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000652341426 452513573 /nfs/dbraw/zinc/51/35/73/452513573.db2.gz OUMKXEATOMMOQK-AABGKKOBSA-N 3 2 331.504 1.943 20 0 EDADLP CCN(C[C@H](C)OC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643717517 452516669 /nfs/dbraw/zinc/51/66/69/452516669.db2.gz PPQHHLADVBJVOA-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CCN(C[C@H](C)OC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643717517 452516679 /nfs/dbraw/zinc/51/66/79/452516679.db2.gz PPQHHLADVBJVOA-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000652354861 452531282 /nfs/dbraw/zinc/53/12/82/452531282.db2.gz JWVPZUIIFBZPKP-UWWQBHOKSA-N 2 2 346.475 1.039 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000652354861 452531287 /nfs/dbraw/zinc/53/12/87/452531287.db2.gz JWVPZUIIFBZPKP-UWWQBHOKSA-N 2 2 346.475 1.039 20 0 EDADLP C1C[C@H]([NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)CO1 ZINC000655724628 452537354 /nfs/dbraw/zinc/53/73/54/452537354.db2.gz WCUKFJULVPPYKR-OTWHNJEPSA-N 2 2 337.508 1.473 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@H]1C[NH3+] ZINC000652358192 452540011 /nfs/dbraw/zinc/54/00/11/452540011.db2.gz KMJFNNCSNOLBRP-DMDPSCGWSA-N 2 2 326.828 1.358 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@H]1C[NH3+] ZINC000652358192 452540018 /nfs/dbraw/zinc/54/00/18/452540018.db2.gz KMJFNNCSNOLBRP-DMDPSCGWSA-N 2 2 326.828 1.358 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814154 452543496 /nfs/dbraw/zinc/54/34/96/452543496.db2.gz AFSUVOBKJHMUIJ-UHFFFAOYSA-N 2 2 330.432 1.800 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814154 452543508 /nfs/dbraw/zinc/54/35/08/452543508.db2.gz AFSUVOBKJHMUIJ-UHFFFAOYSA-N 2 2 330.432 1.800 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815167 452546547 /nfs/dbraw/zinc/54/65/47/452546547.db2.gz RVAMSCCWGSJTQR-UHFFFAOYSA-N 2 2 344.459 1.543 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815167 452546558 /nfs/dbraw/zinc/54/65/58/452546558.db2.gz RVAMSCCWGSJTQR-UHFFFAOYSA-N 2 2 344.459 1.543 20 0 EDADLP c1cc2n(n1)CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000657832490 452555889 /nfs/dbraw/zinc/55/58/89/452555889.db2.gz KWAVOUNJSFPAHT-INIZCTEOSA-N 2 2 341.463 1.310 20 0 EDADLP COCCNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655748691 452557374 /nfs/dbraw/zinc/55/73/74/452557374.db2.gz GSKUUFBYRNCWQW-SJORKVTESA-N 2 2 341.496 1.007 20 0 EDADLP CO[C@@H]([C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000652370923 452560688 /nfs/dbraw/zinc/56/06/88/452560688.db2.gz WOQNQMVLDKVLAU-KMFMINBZSA-N 2 2 338.496 1.268 20 0 EDADLP CO[C@@H]([C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000652370923 452560697 /nfs/dbraw/zinc/56/06/97/452560697.db2.gz WOQNQMVLDKVLAU-KMFMINBZSA-N 2 2 338.496 1.268 20 0 EDADLP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000655773143 452569850 /nfs/dbraw/zinc/56/98/50/452569850.db2.gz SGHGNVZQDWPLQB-SJORKVTESA-N 2 2 325.497 1.722 20 0 EDADLP C[C@H](Cc1ccccn1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000654509137 452583988 /nfs/dbraw/zinc/58/39/88/452583988.db2.gz RDKTVQJXLHYPIY-OAHLLOKOSA-N 2 2 333.480 1.338 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CCO1 ZINC000647862489 452597665 /nfs/dbraw/zinc/59/76/65/452597665.db2.gz QCDMIHRAMAKKRH-WBAXXEDZSA-N 2 2 331.460 1.618 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CCO1 ZINC000647862489 452597670 /nfs/dbraw/zinc/59/76/70/452597670.db2.gz QCDMIHRAMAKKRH-WBAXXEDZSA-N 2 2 331.460 1.618 20 0 EDADLP CC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@H]1CCCCO1 ZINC000655847883 452610197 /nfs/dbraw/zinc/61/01/97/452610197.db2.gz DZQWITOZNHBIGL-RBUKOAKNSA-N 2 2 339.524 1.720 20 0 EDADLP CC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@H]1CCCCO1 ZINC000655847883 452610204 /nfs/dbraw/zinc/61/02/04/452610204.db2.gz DZQWITOZNHBIGL-RBUKOAKNSA-N 2 2 339.524 1.720 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000663888620 452613324 /nfs/dbraw/zinc/61/33/24/452613324.db2.gz XCLXVHQGCVBVNY-QLFBSQMISA-N 2 2 337.468 1.236 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000663888620 452613334 /nfs/dbraw/zinc/61/33/34/452613334.db2.gz XCLXVHQGCVBVNY-QLFBSQMISA-N 2 2 337.468 1.236 20 0 EDADLP C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000661828367 452613303 /nfs/dbraw/zinc/61/33/03/452613303.db2.gz SVCFJRLAJPSWJM-JYJNAYRXSA-N 2 2 344.459 1.012 20 0 EDADLP O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000666190726 452671029 /nfs/dbraw/zinc/67/10/29/452671029.db2.gz WBRCHGFYFNCRSE-GOSISDBHSA-N 2 2 331.460 1.003 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC[C@H]1[NH3+] ZINC000647936407 452675495 /nfs/dbraw/zinc/67/54/95/452675495.db2.gz DBNKRGIJCJNXQU-XWIAVFTESA-N 2 2 347.459 1.868 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC[C@H]1[NH3+] ZINC000647936407 452675502 /nfs/dbraw/zinc/67/55/02/452675502.db2.gz DBNKRGIJCJNXQU-XWIAVFTESA-N 2 2 347.459 1.868 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000647934455 452675729 /nfs/dbraw/zinc/67/57/29/452675729.db2.gz GFXSNYMLWUJZOH-KBAYOESNSA-N 3 2 332.492 1.465 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000647934455 452675732 /nfs/dbraw/zinc/67/57/32/452675732.db2.gz GFXSNYMLWUJZOH-KBAYOESNSA-N 3 2 332.492 1.465 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917852 452678517 /nfs/dbraw/zinc/67/85/17/452678517.db2.gz YAYUWHFCNUCKJX-WCQYABFASA-N 2 2 345.369 1.359 20 0 EDADLP C[C@@H](CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[N@H+](C)C1CC1 ZINC000664000149 452702196 /nfs/dbraw/zinc/70/21/96/452702196.db2.gz VWRRPXOTSPZCBR-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H](CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[N@@H+](C)C1CC1 ZINC000664000149 452702203 /nfs/dbraw/zinc/70/22/03/452702203.db2.gz VWRRPXOTSPZCBR-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000661951800 452711043 /nfs/dbraw/zinc/71/10/43/452711043.db2.gz RMWMTRMQOCXVPS-SJLPKXTDSA-N 2 2 345.491 1.954 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000661951800 452711051 /nfs/dbraw/zinc/71/10/51/452711051.db2.gz RMWMTRMQOCXVPS-SJLPKXTDSA-N 2 2 345.491 1.954 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)n(-c2ccc(C)cc2)n1 ZINC000647983488 452727536 /nfs/dbraw/zinc/72/75/36/452727536.db2.gz DEUKRYYKZCQGMJ-UHFFFAOYSA-N 2 2 327.432 1.849 20 0 EDADLP Cc1cc(NC(=O)C[N@H+](C)C2CC([NH3+])C2)n(-c2ccc(C)cc2)n1 ZINC000647983488 452727544 /nfs/dbraw/zinc/72/75/44/452727544.db2.gz DEUKRYYKZCQGMJ-UHFFFAOYSA-N 2 2 327.432 1.849 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661977251 452730017 /nfs/dbraw/zinc/73/00/17/452730017.db2.gz XREVWJQQCDLAIC-IRXDYDNUSA-N 2 2 329.444 1.799 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661977251 452730024 /nfs/dbraw/zinc/73/00/24/452730024.db2.gz XREVWJQQCDLAIC-IRXDYDNUSA-N 2 2 329.444 1.799 20 0 EDADLP Cc1occc1C(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659874842 452752051 /nfs/dbraw/zinc/75/20/51/452752051.db2.gz SIZVQDPZQPFCDH-INIZCTEOSA-N 2 2 337.464 1.483 20 0 EDADLP Cc1occc1C(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659874842 452752060 /nfs/dbraw/zinc/75/20/60/452752060.db2.gz SIZVQDPZQPFCDH-INIZCTEOSA-N 2 2 337.464 1.483 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000664077650 452772096 /nfs/dbraw/zinc/77/20/96/452772096.db2.gz SMRJDMTUFCKOFD-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000664077650 452772100 /nfs/dbraw/zinc/77/21/00/452772100.db2.gz SMRJDMTUFCKOFD-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664077650 452772107 /nfs/dbraw/zinc/77/21/07/452772107.db2.gz SMRJDMTUFCKOFD-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664077650 452772111 /nfs/dbraw/zinc/77/21/11/452772111.db2.gz SMRJDMTUFCKOFD-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654665905 452780199 /nfs/dbraw/zinc/78/01/99/452780199.db2.gz QWCPUXJFWXEJFH-IYBDPMFKSA-N 2 2 331.464 1.562 20 0 EDADLP C[C@@H](OCC1CC1)C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000648048382 452783261 /nfs/dbraw/zinc/78/32/61/452783261.db2.gz PTOXTBQKDNDKIM-GDBMZVCRSA-N 2 2 346.475 1.706 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H]4COC[C@H]4C3)c2cc1C ZINC000662036974 452790977 /nfs/dbraw/zinc/79/09/77/452790977.db2.gz JZSKQATUMAQAJU-BRWVUGGUSA-N 2 2 329.444 1.982 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H]4COC[C@H]4C3)c2cc1C ZINC000662036974 452790985 /nfs/dbraw/zinc/79/09/85/452790985.db2.gz JZSKQATUMAQAJU-BRWVUGGUSA-N 2 2 329.444 1.982 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)c3[nH+]ccn3C)CC2)c1 ZINC000662097828 452841006 /nfs/dbraw/zinc/84/10/06/452841006.db2.gz YCTOZUNAHXZOMU-ZDUSSCGKSA-N 2 2 344.419 1.417 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1F ZINC000658333627 452851648 /nfs/dbraw/zinc/85/16/48/452851648.db2.gz PZHCCWGAEHCDPZ-ZDUSSCGKSA-N 2 2 338.427 1.152 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1F ZINC000658333627 452851660 /nfs/dbraw/zinc/85/16/60/452851660.db2.gz PZHCCWGAEHCDPZ-ZDUSSCGKSA-N 2 2 338.427 1.152 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000648161750 452872307 /nfs/dbraw/zinc/87/23/07/452872307.db2.gz ZLASGHFWYFRSFT-GOEBONIOSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)COC2(C)C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000648161750 452872315 /nfs/dbraw/zinc/87/23/15/452872315.db2.gz ZLASGHFWYFRSFT-GOEBONIOSA-N 2 2 339.386 1.205 20 0 EDADLP CC(C)Cn1ccnc1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664213213 452886820 /nfs/dbraw/zinc/88/68/20/452886820.db2.gz ZCMDOQSTRUUHQL-LSDHHAIUSA-N 2 2 337.468 1.448 20 0 EDADLP CC(C)Cn1ccnc1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664213213 452886827 /nfs/dbraw/zinc/88/68/27/452886827.db2.gz ZCMDOQSTRUUHQL-LSDHHAIUSA-N 2 2 337.468 1.448 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664213213 452886832 /nfs/dbraw/zinc/88/68/32/452886832.db2.gz ZCMDOQSTRUUHQL-LSDHHAIUSA-N 2 2 337.468 1.448 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664213213 452886840 /nfs/dbraw/zinc/88/68/40/452886840.db2.gz ZCMDOQSTRUUHQL-LSDHHAIUSA-N 2 2 337.468 1.448 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648175651 452888079 /nfs/dbraw/zinc/88/80/79/452888079.db2.gz JLBRCMIYNUPAQX-XWSJACJDSA-N 2 2 345.487 1.892 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648175651 452888087 /nfs/dbraw/zinc/88/80/87/452888087.db2.gz JLBRCMIYNUPAQX-XWSJACJDSA-N 2 2 345.487 1.892 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000664225569 452901797 /nfs/dbraw/zinc/90/17/97/452901797.db2.gz KOSXEDDYYWBETB-UHFFFAOYSA-N 3 2 327.517 1.044 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664225569 452901804 /nfs/dbraw/zinc/90/18/04/452901804.db2.gz KOSXEDDYYWBETB-UHFFFAOYSA-N 3 2 327.517 1.044 20 0 EDADLP Cc1ccc2[nH]c(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc2c1 ZINC000664284905 452964062 /nfs/dbraw/zinc/96/40/62/452964062.db2.gz VUBJXDWWXQAQAL-UHFFFAOYSA-N 2 2 346.479 1.554 20 0 EDADLP Cc1ccc2[nH]c(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)nc2c1 ZINC000664284905 452964071 /nfs/dbraw/zinc/96/40/71/452964071.db2.gz VUBJXDWWXQAQAL-UHFFFAOYSA-N 2 2 346.479 1.554 20 0 EDADLP Cc1ccc2nc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]c2c1 ZINC000664284905 452964077 /nfs/dbraw/zinc/96/40/77/452964077.db2.gz VUBJXDWWXQAQAL-UHFFFAOYSA-N 2 2 346.479 1.554 20 0 EDADLP Cc1ccc2nc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]c2c1 ZINC000664284905 452964084 /nfs/dbraw/zinc/96/40/84/452964084.db2.gz VUBJXDWWXQAQAL-UHFFFAOYSA-N 2 2 346.479 1.554 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc4c3CCCN4)C2)CC1 ZINC000645977938 452965580 /nfs/dbraw/zinc/96/55/80/452965580.db2.gz NVAUSFHWGHDBKI-OAHLLOKOSA-N 2 2 342.487 1.943 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc4c3CCCN4)C2)CC1 ZINC000645977938 452965583 /nfs/dbraw/zinc/96/55/83/452965583.db2.gz NVAUSFHWGHDBKI-OAHLLOKOSA-N 2 2 342.487 1.943 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000645977979 452966370 /nfs/dbraw/zinc/96/63/70/452966370.db2.gz PIYVNBLSEHZKNA-SJLPKXTDSA-N 3 2 336.524 1.569 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000645977979 452966379 /nfs/dbraw/zinc/96/63/79/452966379.db2.gz PIYVNBLSEHZKNA-SJLPKXTDSA-N 3 2 336.524 1.569 20 0 EDADLP CN(C(=O)N[C@H]1COCC1(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656220782 452969948 /nfs/dbraw/zinc/96/99/48/452969948.db2.gz RNGCKZQQHUQADM-CVEARBPZSA-N 2 2 338.496 1.221 20 0 EDADLP CN(C(=O)N[C@H]1COCC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656220782 452969954 /nfs/dbraw/zinc/96/99/54/452969954.db2.gz RNGCKZQQHUQADM-CVEARBPZSA-N 2 2 338.496 1.221 20 0 EDADLP O=C(c1ccc(F)cc1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249319 452972289 /nfs/dbraw/zinc/97/22/89/452972289.db2.gz SXFMXCHXMJHOSQ-INIZCTEOSA-N 2 2 333.407 1.105 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664297038 452975454 /nfs/dbraw/zinc/97/54/54/452975454.db2.gz TUPVLSZQMAJXAF-CQSZACIVSA-N 2 2 339.484 1.511 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664297038 452975459 /nfs/dbraw/zinc/97/54/59/452975459.db2.gz TUPVLSZQMAJXAF-CQSZACIVSA-N 2 2 339.484 1.511 20 0 EDADLP O=C(NCCc1cccs1)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662253315 452980720 /nfs/dbraw/zinc/98/07/20/452980720.db2.gz IPTVVDLCHSDZED-OAHLLOKOSA-N 2 2 337.489 1.107 20 0 EDADLP Cc1nc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000660072342 452987291 /nfs/dbraw/zinc/98/72/91/452987291.db2.gz WZPMGFAIKWXFPI-UHFFFAOYSA-N 2 2 334.464 1.668 20 0 EDADLP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662262692 452993992 /nfs/dbraw/zinc/99/39/92/452993992.db2.gz XFNMWUSJNOIXOL-HIFRSBDPSA-N 2 2 325.403 1.632 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)c1ccc(Cl)cc1 ZINC000664329861 453005288 /nfs/dbraw/zinc/00/52/88/453005288.db2.gz GFXRBYQFWJKMBT-UHFFFAOYSA-N 2 2 325.840 1.522 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)c1ccc(Cl)cc1 ZINC000664329861 453005292 /nfs/dbraw/zinc/00/52/92/453005292.db2.gz GFXRBYQFWJKMBT-UHFFFAOYSA-N 2 2 325.840 1.522 20 0 EDADLP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662298337 453021461 /nfs/dbraw/zinc/02/14/61/453021461.db2.gz XUFKMKQRFFPXNN-KGLIPLIRSA-N 2 2 335.448 1.342 20 0 EDADLP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662298337 453021469 /nfs/dbraw/zinc/02/14/69/453021469.db2.gz XUFKMKQRFFPXNN-KGLIPLIRSA-N 2 2 335.448 1.342 20 0 EDADLP Brc1cc2c(s1)CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000662309658 453028758 /nfs/dbraw/zinc/02/87/58/453028758.db2.gz BPRJCJKSHYBZKC-UHFFFAOYSA-N 2 2 330.295 1.774 20 0 EDADLP Brc1cc2c(s1)CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000662309658 453028766 /nfs/dbraw/zinc/02/87/66/453028766.db2.gz BPRJCJKSHYBZKC-UHFFFAOYSA-N 2 2 330.295 1.774 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000652889371 453057435 /nfs/dbraw/zinc/05/74/35/453057435.db2.gz QIQTYQFHARWIIA-MSOLQXFVSA-N 2 2 331.460 1.347 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000652889371 453057442 /nfs/dbraw/zinc/05/74/42/453057442.db2.gz QIQTYQFHARWIIA-MSOLQXFVSA-N 2 2 331.460 1.347 20 0 EDADLP Cc1ccoc1CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644161258 453092324 /nfs/dbraw/zinc/09/23/24/453092324.db2.gz GFBMHCVTYQIIGC-HNNXBMFYSA-N 2 2 334.464 1.898 20 0 EDADLP Cc1ccoc1CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644161258 453092332 /nfs/dbraw/zinc/09/23/32/453092332.db2.gz GFBMHCVTYQIIGC-HNNXBMFYSA-N 2 2 334.464 1.898 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C1CCCC1 ZINC000646104593 453105759 /nfs/dbraw/zinc/10/57/59/453105759.db2.gz HMJFAPANDLGELU-UHFFFAOYSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)C1CCCC1 ZINC000646104593 453105764 /nfs/dbraw/zinc/10/57/64/453105764.db2.gz HMJFAPANDLGELU-UHFFFAOYSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)OC1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000664512109 453155539 /nfs/dbraw/zinc/15/55/39/453155539.db2.gz LCGFCVGOTSFWSJ-UHFFFAOYSA-N 2 2 342.528 1.905 20 0 EDADLP CC(C)OC1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664512109 453155547 /nfs/dbraw/zinc/15/55/47/453155547.db2.gz LCGFCVGOTSFWSJ-UHFFFAOYSA-N 2 2 342.528 1.905 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000650982414 453161062 /nfs/dbraw/zinc/16/10/62/453161062.db2.gz CIFSDCOHOGONIR-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000650982414 453161068 /nfs/dbraw/zinc/16/10/68/453161068.db2.gz CIFSDCOHOGONIR-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000650982414 453161078 /nfs/dbraw/zinc/16/10/78/453161078.db2.gz CIFSDCOHOGONIR-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000650982414 453161090 /nfs/dbraw/zinc/16/10/90/453161090.db2.gz CIFSDCOHOGONIR-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP Cc1c[nH+]ccc1NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000664535029 453173515 /nfs/dbraw/zinc/17/35/15/453173515.db2.gz NKTHATPWYTUNBD-IBGZPJMESA-N 2 2 327.428 1.487 20 0 EDADLP Cc1c[nH+]ccc1NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000664535029 453173518 /nfs/dbraw/zinc/17/35/18/453173518.db2.gz NKTHATPWYTUNBD-IBGZPJMESA-N 2 2 327.428 1.487 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000648716160 453205170 /nfs/dbraw/zinc/20/51/70/453205170.db2.gz YMCSTTHBECCKMJ-CVEARBPZSA-N 2 2 334.464 1.720 20 0 EDADLP CC[N@H+](CC(=O)N[C@H](CO)C[NH+](C)C)Cc1ccccc1Cl ZINC000646210058 453221788 /nfs/dbraw/zinc/22/17/88/453221788.db2.gz VSDBJKQKFVHJHM-AWEZNQCLSA-N 2 2 327.856 1.201 20 0 EDADLP CC[N@@H+](CC(=O)N[C@H](CO)C[NH+](C)C)Cc1ccccc1Cl ZINC000646210058 453221797 /nfs/dbraw/zinc/22/17/97/453221797.db2.gz VSDBJKQKFVHJHM-AWEZNQCLSA-N 2 2 327.856 1.201 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000646211572 453225061 /nfs/dbraw/zinc/22/50/61/453225061.db2.gz PYZBTSNKJPAWQW-CVEARBPZSA-N 2 2 348.491 1.957 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000662510495 453229119 /nfs/dbraw/zinc/22/91/19/453229119.db2.gz TZOBNNOSNMPYPL-JYJNAYRXSA-N 2 2 341.402 1.579 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000662510495 453229125 /nfs/dbraw/zinc/22/91/25/453229125.db2.gz TZOBNNOSNMPYPL-JYJNAYRXSA-N 2 2 341.402 1.579 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000653062876 453238652 /nfs/dbraw/zinc/23/86/52/453238652.db2.gz MQJCZNGLVUKBEM-CYBMUJFWSA-N 2 2 341.839 1.049 20 0 EDADLP CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653067538 453245962 /nfs/dbraw/zinc/24/59/62/453245962.db2.gz CIRIPKFTBSJACM-CZUORRHYSA-N 2 2 334.464 1.566 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000666926339 453252432 /nfs/dbraw/zinc/25/24/32/453252432.db2.gz NULCFBQXJWMANR-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000666926339 453252440 /nfs/dbraw/zinc/25/24/40/453252440.db2.gz NULCFBQXJWMANR-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP CCC[NH+]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000666926339 453252447 /nfs/dbraw/zinc/25/24/47/453252447.db2.gz NULCFBQXJWMANR-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP CCC[NH+]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000666926339 453252455 /nfs/dbraw/zinc/25/24/55/453252455.db2.gz NULCFBQXJWMANR-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653079512 453260864 /nfs/dbraw/zinc/26/08/64/453260864.db2.gz CDBPXOUVJSDDQC-INIZCTEOSA-N 2 2 346.475 1.885 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000648781959 453265791 /nfs/dbraw/zinc/26/57/91/453265791.db2.gz HWZYFJJQMHYKTI-QGZVFWFLSA-N 2 2 349.523 1.931 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000648781959 453265795 /nfs/dbraw/zinc/26/57/95/453265795.db2.gz HWZYFJJQMHYKTI-QGZVFWFLSA-N 2 2 349.523 1.931 20 0 EDADLP C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089690 453272242 /nfs/dbraw/zinc/27/22/42/453272242.db2.gz QOOBFGCLXGFQQY-UHOFOFEASA-N 2 2 339.867 1.907 20 0 EDADLP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000653106277 453287094 /nfs/dbraw/zinc/28/70/94/453287094.db2.gz ZLJHMXYAKPTMOZ-OALUTQOASA-N 2 2 343.471 1.740 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000653105455 453287551 /nfs/dbraw/zinc/28/75/51/453287551.db2.gz WNSXAVJCGOJTIF-AWEZNQCLSA-N 2 2 329.448 1.980 20 0 EDADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653108587 453292212 /nfs/dbraw/zinc/29/22/12/453292212.db2.gz AROMXVRFJITGND-LPHOPBHVSA-N 3 2 346.519 1.956 20 0 EDADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653108587 453292221 /nfs/dbraw/zinc/29/22/21/453292221.db2.gz AROMXVRFJITGND-LPHOPBHVSA-N 3 2 346.519 1.956 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CCO1 ZINC000666974621 453292472 /nfs/dbraw/zinc/29/24/72/453292472.db2.gz VDASQIXBINAETG-HNNXBMFYSA-N 2 2 331.420 1.909 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000653109166 453293208 /nfs/dbraw/zinc/29/32/08/453293208.db2.gz WLFWYVGWMXAXIF-MRXNPFEDSA-N 2 2 328.416 1.769 20 0 EDADLP CC1CC[NH+]([C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c2ccccc2)CC1 ZINC000653112230 453298174 /nfs/dbraw/zinc/29/81/74/453298174.db2.gz RQOBQIQFYZCSFY-RTBURBONSA-N 3 2 346.519 1.855 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653124733 453316762 /nfs/dbraw/zinc/31/67/62/453316762.db2.gz FYGXRDBXHSAJCK-OLMNPRSZSA-N 2 2 328.460 1.817 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653148058 453333508 /nfs/dbraw/zinc/33/35/08/453333508.db2.gz MSTCSQKHNPDMRH-SFHVURJKSA-N 3 2 348.491 1.009 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653148058 453333516 /nfs/dbraw/zinc/33/35/16/453333516.db2.gz MSTCSQKHNPDMRH-SFHVURJKSA-N 3 2 348.491 1.009 20 0 EDADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660475058 453334861 /nfs/dbraw/zinc/33/48/61/453334861.db2.gz QBROVRMEKYSRJU-XDNAFOTISA-N 2 2 335.492 1.620 20 0 EDADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660475058 453334890 /nfs/dbraw/zinc/33/48/90/453334890.db2.gz QBROVRMEKYSRJU-XDNAFOTISA-N 2 2 335.492 1.620 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000653152793 453340116 /nfs/dbraw/zinc/34/01/16/453340116.db2.gz ZHUHGKFBDBZODP-CABCVRRESA-N 2 2 325.840 1.519 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](OC1CCCC1)C(F)(F)F ZINC000662627635 453344953 /nfs/dbraw/zinc/34/49/53/453344953.db2.gz RKZZUGJBANOHNS-NEPJUHHUSA-N 2 2 325.375 1.272 20 0 EDADLP Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653161241 453355119 /nfs/dbraw/zinc/35/51/19/453355119.db2.gz IHXUBZNYYNQBMM-AWEZNQCLSA-N 2 2 335.839 1.474 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Cc3cn4ccccc4[nH+]3)C2)C1 ZINC000653183240 453373343 /nfs/dbraw/zinc/37/33/43/453373343.db2.gz BJXZCGZFYBTHIQ-ZMSDIMECSA-N 2 2 342.443 1.622 20 0 EDADLP CC1(C)CC[NH2+][C@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000662670384 453384876 /nfs/dbraw/zinc/38/48/76/453384876.db2.gz JVDSCTNUNDEHOP-KRWDZBQOSA-N 2 2 341.459 1.367 20 0 EDADLP CCn1cc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000656707137 453384901 /nfs/dbraw/zinc/38/49/01/453384901.db2.gz LKBALVNZIYKQEV-HNNXBMFYSA-N 2 2 328.420 1.415 20 0 EDADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000662675670 453394278 /nfs/dbraw/zinc/39/42/78/453394278.db2.gz PHRQZBDAKUFDGF-HZPDHXFCSA-N 2 2 332.448 1.442 20 0 EDADLP Cc1cccc2c1O[C@H](C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000648926416 453402223 /nfs/dbraw/zinc/40/22/23/453402223.db2.gz RCCFETJQTIKBPG-WMZOPIPTSA-N 2 2 343.471 1.583 20 0 EDADLP Cc1cccc2c1O[C@H](C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000648926416 453402231 /nfs/dbraw/zinc/40/22/31/453402231.db2.gz RCCFETJQTIKBPG-WMZOPIPTSA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651263925 453406215 /nfs/dbraw/zinc/40/62/15/453406215.db2.gz TZCXVZNJGTZHJK-MRXNPFEDSA-N 2 2 334.464 1.331 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c(F)c1 ZINC000653223522 453411069 /nfs/dbraw/zinc/41/10/69/453411069.db2.gz QRJGEXQGWHDRSN-QGZVFWFLSA-N 2 2 335.423 1.544 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c(F)c1 ZINC000653223522 453411076 /nfs/dbraw/zinc/41/10/76/453411076.db2.gz QRJGEXQGWHDRSN-QGZVFWFLSA-N 2 2 335.423 1.544 20 0 EDADLP C[C@@H](CC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000662702989 453426092 /nfs/dbraw/zinc/42/60/92/453426092.db2.gz FXAVIPISEHWBAY-WMZOPIPTSA-N 2 2 337.508 1.583 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1)[NH+]1CCOCC1 ZINC000662721096 453444365 /nfs/dbraw/zinc/44/43/65/453444365.db2.gz QDQLBJVSGBYLJI-XOKHGSTOSA-N 2 2 333.432 1.382 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000664935311 453498958 /nfs/dbraw/zinc/49/89/58/453498958.db2.gz YINIVTSBKOCFBZ-BZUAXINKSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000664935311 453498964 /nfs/dbraw/zinc/49/89/64/453498964.db2.gz YINIVTSBKOCFBZ-BZUAXINKSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664935311 453498971 /nfs/dbraw/zinc/49/89/71/453498971.db2.gz YINIVTSBKOCFBZ-BZUAXINKSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664935311 453498980 /nfs/dbraw/zinc/49/89/80/453498980.db2.gz YINIVTSBKOCFBZ-BZUAXINKSA-N 2 2 328.501 1.515 20 0 EDADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000662787075 453521043 /nfs/dbraw/zinc/52/10/43/453521043.db2.gz DLLLWCHNAKNAJF-HOCLYGCPSA-N 2 2 337.851 1.348 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445717 453531408 /nfs/dbraw/zinc/53/14/08/453531408.db2.gz JZCFGRJIEKWLCR-IEBWSBKVSA-N 2 2 329.444 1.847 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000664994474 453536855 /nfs/dbraw/zinc/53/68/55/453536855.db2.gz BIFLUKTTWLARKP-HUUCEWRRSA-N 2 2 347.463 1.346 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2[nH+]ccn21 ZINC000665048057 453553824 /nfs/dbraw/zinc/55/38/24/453553824.db2.gz RATKAYQQMLBSKY-OAGGEKHMSA-N 2 2 347.463 1.785 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000667325901 453557430 /nfs/dbraw/zinc/55/74/30/453557430.db2.gz HSKAPGGJURWUKF-MSOLQXFVSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000667325901 453557434 /nfs/dbraw/zinc/55/74/34/453557434.db2.gz HSKAPGGJURWUKF-MSOLQXFVSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667325901 453557439 /nfs/dbraw/zinc/55/74/39/453557439.db2.gz HSKAPGGJURWUKF-MSOLQXFVSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000667325901 453557444 /nfs/dbraw/zinc/55/74/44/453557444.db2.gz HSKAPGGJURWUKF-MSOLQXFVSA-N 2 2 330.476 1.997 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667328263 453560768 /nfs/dbraw/zinc/56/07/68/453560768.db2.gz IIBNRALFRUYZSB-INIZCTEOSA-N 2 2 327.432 1.836 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000667328263 453560772 /nfs/dbraw/zinc/56/07/72/453560772.db2.gz IIBNRALFRUYZSB-INIZCTEOSA-N 2 2 327.432 1.836 20 0 EDADLP Cc1c(C[NH3+])c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1C ZINC000662837894 453563251 /nfs/dbraw/zinc/56/32/51/453563251.db2.gz VKMMJNZENBKNLH-MRXNPFEDSA-N 2 2 343.431 1.027 20 0 EDADLP Cc1c(C[NH3+])c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1C ZINC000662837894 453563255 /nfs/dbraw/zinc/56/32/55/453563255.db2.gz VKMMJNZENBKNLH-MRXNPFEDSA-N 2 2 343.431 1.027 20 0 EDADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000662877454 453584615 /nfs/dbraw/zinc/58/46/15/453584615.db2.gz CBQCADDDIZPROM-GOEBONIOSA-N 2 2 326.400 1.745 20 0 EDADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910128 453598498 /nfs/dbraw/zinc/59/84/98/453598498.db2.gz LCGBHJLHRGZZIJ-LJQANCHMSA-N 2 2 343.471 1.272 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000665232326 453617618 /nfs/dbraw/zinc/61/76/18/453617618.db2.gz KYMHLAJNWDHOQL-SZVBFZGTSA-N 2 2 336.476 1.735 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1CCCCC1 ZINC000657071589 453661188 /nfs/dbraw/zinc/66/11/88/453661188.db2.gz RQUGLISBSAZYJO-HNNXBMFYSA-N 2 2 333.542 1.758 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1CCCCC1 ZINC000657071589 453661190 /nfs/dbraw/zinc/66/11/90/453661190.db2.gz RQUGLISBSAZYJO-HNNXBMFYSA-N 2 2 333.542 1.758 20 0 EDADLP CN(C(=O)N[C@H]1COC(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665405993 453682891 /nfs/dbraw/zinc/68/28/91/453682891.db2.gz PDWXLSYIIJZSNX-ZBFHGGJFSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)N[C@H]1COC(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665405993 453682894 /nfs/dbraw/zinc/68/28/94/453682894.db2.gz PDWXLSYIIJZSNX-ZBFHGGJFSA-N 2 2 338.496 1.364 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661043686 453692680 /nfs/dbraw/zinc/69/26/80/453692680.db2.gz DLCXNNDRIUOOCW-IAGOWNOFSA-N 2 2 339.443 1.772 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661043686 453692685 /nfs/dbraw/zinc/69/26/85/453692685.db2.gz DLCXNNDRIUOOCW-IAGOWNOFSA-N 2 2 339.443 1.772 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000665462746 453701971 /nfs/dbraw/zinc/70/19/71/453701971.db2.gz ROWBROKQVJFLMX-RHSMWYFYSA-N 2 2 328.416 1.671 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000665462746 453701973 /nfs/dbraw/zinc/70/19/73/453701973.db2.gz ROWBROKQVJFLMX-RHSMWYFYSA-N 2 2 328.416 1.671 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000663303527 453763140 /nfs/dbraw/zinc/76/31/40/453763140.db2.gz IFIFRCLCBUIBDI-PBHICJAKSA-N 2 2 347.459 1.865 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000663304915 453763702 /nfs/dbraw/zinc/76/37/02/453763702.db2.gz VNBDFVXSXNJRKX-APWZRJJASA-N 2 2 345.487 1.843 20 0 EDADLP Cc1c[nH]c(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000657310750 453763881 /nfs/dbraw/zinc/76/38/81/453763881.db2.gz DKWFIVPBRVGRQD-UHFFFAOYSA-N 2 2 327.432 1.396 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661365437 453801057 /nfs/dbraw/zinc/80/10/57/453801057.db2.gz ACTXCVIQQCYOMP-BBWFWOEESA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661365437 453801060 /nfs/dbraw/zinc/80/10/60/453801060.db2.gz ACTXCVIQQCYOMP-BBWFWOEESA-N 2 2 336.480 1.119 20 0 EDADLP CCCCn1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000676426592 486764705 /nfs/dbraw/zinc/76/47/05/486764705.db2.gz UTWALBRAMSBPSJ-MRXNPFEDSA-N 2 2 347.507 1.890 20 0 EDADLP CCCCn1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000676426592 486764710 /nfs/dbraw/zinc/76/47/10/486764710.db2.gz UTWALBRAMSBPSJ-MRXNPFEDSA-N 2 2 347.507 1.890 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)n2c1 ZINC000676418204 486763329 /nfs/dbraw/zinc/76/33/29/486763329.db2.gz LAOWAJDFBPJSJW-CZUORRHYSA-N 2 2 338.415 1.660 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@H+](CCO)C(C)(C)C3)cn2c1 ZINC000672752286 486790524 /nfs/dbraw/zinc/79/05/24/486790524.db2.gz JJBWVSJNYYIPJU-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)cn2c1 ZINC000672752286 486790528 /nfs/dbraw/zinc/79/05/28/486790528.db2.gz JJBWVSJNYYIPJU-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000417783519 486811877 /nfs/dbraw/zinc/81/18/77/486811877.db2.gz ZIDNTIFCETVVBV-MGPQQGTHSA-N 2 2 347.467 1.056 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]cn1 ZINC000417783519 486811885 /nfs/dbraw/zinc/81/18/85/486811885.db2.gz ZIDNTIFCETVVBV-MGPQQGTHSA-N 2 2 347.467 1.056 20 0 EDADLP Cc1cc(C[NH+]2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)on1 ZINC000667491715 486808173 /nfs/dbraw/zinc/80/81/73/486808173.db2.gz CYIKDCZEZHQLIW-UHFFFAOYSA-N 2 2 338.415 1.882 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)nc(C)[nH+]1 ZINC000672877952 486826999 /nfs/dbraw/zinc/82/69/99/486826999.db2.gz BNZXRTRNKHRDMG-AWEZNQCLSA-N 2 2 328.420 1.534 20 0 EDADLP COCc1csc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000667593312 486863143 /nfs/dbraw/zinc/86/31/43/486863143.db2.gz XRJSZPJMQJYKSE-UHFFFAOYSA-N 2 2 337.489 1.635 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(n3)CCCC4)C2)CC1 ZINC000676782810 486871008 /nfs/dbraw/zinc/87/10/08/486871008.db2.gz GWWKZNUQGLCYHZ-MRXNPFEDSA-N 2 2 342.487 1.859 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(n3)CCCC4)C2)CC1 ZINC000676782810 486871013 /nfs/dbraw/zinc/87/10/13/486871013.db2.gz GWWKZNUQGLCYHZ-MRXNPFEDSA-N 2 2 342.487 1.859 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000670392669 486891903 /nfs/dbraw/zinc/89/19/03/486891903.db2.gz GABUFRLAOWJEGF-CVEARBPZSA-N 2 2 341.521 1.137 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)NCC[NH+]3CCC3)c[nH+]2)CC1 ZINC000677007333 486952806 /nfs/dbraw/zinc/95/28/06/486952806.db2.gz ZMAGMOLQZSQZSK-UHFFFAOYSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@H](Cn1cccn1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681211151 486974086 /nfs/dbraw/zinc/97/40/86/486974086.db2.gz QUWNLOUESUVAKV-WBVHZDCISA-N 2 2 348.495 1.082 20 0 EDADLP C[C@H](Cn1cccn1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681211151 486974088 /nfs/dbraw/zinc/97/40/88/486974088.db2.gz QUWNLOUESUVAKV-WBVHZDCISA-N 2 2 348.495 1.082 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000667816467 486979349 /nfs/dbraw/zinc/97/93/49/486979349.db2.gz UMMFXTJENKVGJQ-HKUYNNGSSA-N 2 2 345.487 1.703 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000667816467 486979353 /nfs/dbraw/zinc/97/93/53/486979353.db2.gz UMMFXTJENKVGJQ-HKUYNNGSSA-N 2 2 345.487 1.703 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000673666552 487083118 /nfs/dbraw/zinc/08/31/18/487083118.db2.gz FKNDXLFPGBLBOK-GOSISDBHSA-N 2 2 343.471 1.733 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000673666552 487083123 /nfs/dbraw/zinc/08/31/23/487083123.db2.gz FKNDXLFPGBLBOK-GOSISDBHSA-N 2 2 343.471 1.733 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000681553161 487083673 /nfs/dbraw/zinc/08/36/73/487083673.db2.gz KIPZSVGSHRMKDB-GJZGRUSLSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)cn2c1 ZINC000673870850 487142047 /nfs/dbraw/zinc/14/20/47/487142047.db2.gz SHOKUAOOWCAVNC-UHFFFAOYSA-N 2 2 341.419 1.723 20 0 EDADLP C[N@H+](Cc1ccc(CO)o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681755732 487158775 /nfs/dbraw/zinc/15/87/75/487158775.db2.gz LGBMXABXBXNYLO-LJQANCHMSA-N 2 2 330.428 1.841 20 0 EDADLP C[N@@H+](Cc1ccc(CO)o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000681755732 487158779 /nfs/dbraw/zinc/15/87/79/487158779.db2.gz LGBMXABXBXNYLO-LJQANCHMSA-N 2 2 330.428 1.841 20 0 EDADLP C[NH+](Cc1ccc(CO)o1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000681755732 487158783 /nfs/dbraw/zinc/15/87/83/487158783.db2.gz LGBMXABXBXNYLO-LJQANCHMSA-N 2 2 330.428 1.841 20 0 EDADLP C[NH+](Cc1ccc(CO)o1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000681755732 487158787 /nfs/dbraw/zinc/15/87/87/487158787.db2.gz LGBMXABXBXNYLO-LJQANCHMSA-N 2 2 330.428 1.841 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000677729964 487160648 /nfs/dbraw/zinc/16/06/48/487160648.db2.gz HPIRZXYPZUJBJF-KGLIPLIRSA-N 2 2 338.402 1.706 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000677729964 487160652 /nfs/dbraw/zinc/16/06/52/487160652.db2.gz HPIRZXYPZUJBJF-KGLIPLIRSA-N 2 2 338.402 1.706 20 0 EDADLP CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673990779 487178698 /nfs/dbraw/zinc/17/86/98/487178698.db2.gz AMKFJWOFWWGWMM-AWEZNQCLSA-N 2 2 332.448 1.379 20 0 EDADLP CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673990779 487178701 /nfs/dbraw/zinc/17/87/01/487178701.db2.gz AMKFJWOFWWGWMM-AWEZNQCLSA-N 2 2 332.448 1.379 20 0 EDADLP CCOc1cccnc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673991411 487178775 /nfs/dbraw/zinc/17/87/75/487178775.db2.gz MGFXPFNWHCPCDF-INIZCTEOSA-N 2 2 346.475 1.721 20 0 EDADLP CCOc1cccnc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673991411 487178778 /nfs/dbraw/zinc/17/87/78/487178778.db2.gz MGFXPFNWHCPCDF-INIZCTEOSA-N 2 2 346.475 1.721 20 0 EDADLP Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674284361 487228066 /nfs/dbraw/zinc/22/80/66/487228066.db2.gz QUDCYNXLFZXKMC-INIZCTEOSA-N 2 2 343.475 1.545 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2[nH]cnc2c1 ZINC000678252584 487273791 /nfs/dbraw/zinc/27/37/91/487273791.db2.gz AUPFESDTJPMWRZ-DOTOQJQBSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2[nH]cnc2c1 ZINC000678252584 487273795 /nfs/dbraw/zinc/27/37/95/487273795.db2.gz AUPFESDTJPMWRZ-DOTOQJQBSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC000678252584 487273798 /nfs/dbraw/zinc/27/37/98/487273798.db2.gz AUPFESDTJPMWRZ-DOTOQJQBSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000678252584 487273801 /nfs/dbraw/zinc/27/38/01/487273801.db2.gz AUPFESDTJPMWRZ-DOTOQJQBSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC000678252584 487273804 /nfs/dbraw/zinc/27/38/04/487273804.db2.gz AUPFESDTJPMWRZ-DOTOQJQBSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC000678252584 487273806 /nfs/dbraw/zinc/27/38/06/487273806.db2.gz AUPFESDTJPMWRZ-DOTOQJQBSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000678252584 487273809 /nfs/dbraw/zinc/27/38/09/487273809.db2.gz AUPFESDTJPMWRZ-DOTOQJQBSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000678252584 487273811 /nfs/dbraw/zinc/27/38/11/487273811.db2.gz AUPFESDTJPMWRZ-DOTOQJQBSA-N 2 2 343.475 1.400 20 0 EDADLP Cc1ncc([C@H](C)[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c(C)n1 ZINC000682070087 487298114 /nfs/dbraw/zinc/29/81/14/487298114.db2.gz JMRRICMVKRIDLS-RDJZCZTQSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1ncc([C@H](C)[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c(C)n1 ZINC000682070087 487298117 /nfs/dbraw/zinc/29/81/17/487298117.db2.gz JMRRICMVKRIDLS-RDJZCZTQSA-N 2 2 333.480 1.103 20 0 EDADLP CC(C)NC(=O)C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000682237730 487327918 /nfs/dbraw/zinc/32/79/18/487327918.db2.gz OEYYUXIPCKFPTA-UHFFFAOYSA-N 2 2 328.416 1.587 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000678885461 487376163 /nfs/dbraw/zinc/37/61/63/487376163.db2.gz CNOXGFVORNKLMS-RDJZCZTQSA-N 2 2 339.505 1.378 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000678885461 487376165 /nfs/dbraw/zinc/37/61/65/487376165.db2.gz CNOXGFVORNKLMS-RDJZCZTQSA-N 2 2 339.505 1.378 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000675187330 487386256 /nfs/dbraw/zinc/38/62/56/487386256.db2.gz RCRWEHPEFKNIOO-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP COc1nc(C)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679100908 487391898 /nfs/dbraw/zinc/39/18/98/487391898.db2.gz FGCXBKQPTJHDRT-CQSZACIVSA-N 2 2 332.448 1.297 20 0 EDADLP COc1nc(C)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679100908 487391900 /nfs/dbraw/zinc/39/19/00/487391900.db2.gz FGCXBKQPTJHDRT-CQSZACIVSA-N 2 2 332.448 1.297 20 0 EDADLP C[C@H](C[C@H]1CCOC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000675427207 487406468 /nfs/dbraw/zinc/40/64/68/487406468.db2.gz FMHKOTCJHNBGTH-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP CCO[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000675462402 487409667 /nfs/dbraw/zinc/40/96/67/487409667.db2.gz QWJMTGDRIKFXFP-NVXWUHKLSA-N 2 2 325.497 1.722 20 0 EDADLP CCO[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000675462402 487409670 /nfs/dbraw/zinc/40/96/70/487409670.db2.gz QWJMTGDRIKFXFP-NVXWUHKLSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000679316465 487412795 /nfs/dbraw/zinc/41/27/95/487412795.db2.gz IYTSKGCNKHFCCR-UHFFFAOYSA-N 2 2 328.416 1.401 20 0 EDADLP COc1cc[nH+]c(CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1OC ZINC000682756260 487411706 /nfs/dbraw/zinc/41/17/06/487411706.db2.gz OOSBJQSGVAFUJM-HNNXBMFYSA-N 2 2 335.448 1.786 20 0 EDADLP COc1cc[nH+]c(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1OC ZINC000682756260 487411708 /nfs/dbraw/zinc/41/17/08/487411708.db2.gz OOSBJQSGVAFUJM-HNNXBMFYSA-N 2 2 335.448 1.786 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cn1 ZINC000679343902 487416502 /nfs/dbraw/zinc/41/65/02/487416502.db2.gz VACYTVNIIUEBDA-SJORKVTESA-N 2 2 336.455 1.668 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)[nH+]c12 ZINC000679378183 487419708 /nfs/dbraw/zinc/41/97/08/487419708.db2.gz FWVANCKTUNUFMV-NVXWUHKLSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)[nH+]c12 ZINC000679378183 487419711 /nfs/dbraw/zinc/41/97/11/487419711.db2.gz FWVANCKTUNUFMV-NVXWUHKLSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)sc2n1 ZINC000679440603 487426163 /nfs/dbraw/zinc/42/61/63/487426163.db2.gz XAVLZVICNSODSD-UHFFFAOYSA-N 2 2 342.428 1.177 20 0 EDADLP Cc1cc(NC(=O)CN2CC[NH+](C)CC2)c[nH+]c1N1CCCC[C@H]1C ZINC000679582427 487440442 /nfs/dbraw/zinc/44/04/42/487440442.db2.gz HICYCPQQAOTSIV-MRXNPFEDSA-N 2 2 345.491 1.955 20 0 EDADLP CNC(=O)[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000679772111 487464544 /nfs/dbraw/zinc/46/45/44/487464544.db2.gz ATKBUFHXBPDWQY-GOSISDBHSA-N 2 2 347.459 1.108 20 0 EDADLP CNC(=O)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000679772111 487464545 /nfs/dbraw/zinc/46/45/45/487464545.db2.gz ATKBUFHXBPDWQY-GOSISDBHSA-N 2 2 347.459 1.108 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000119117892 485499697 /nfs/dbraw/zinc/49/96/97/485499697.db2.gz JZPSVTQRQHUOGH-WBAXXEDZSA-N 2 2 349.450 1.625 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000119117892 485499703 /nfs/dbraw/zinc/49/97/03/485499703.db2.gz JZPSVTQRQHUOGH-WBAXXEDZSA-N 2 2 349.450 1.625 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000119117892 485499710 /nfs/dbraw/zinc/49/97/10/485499710.db2.gz JZPSVTQRQHUOGH-WBAXXEDZSA-N 2 2 349.450 1.625 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119117892 485499716 /nfs/dbraw/zinc/49/97/16/485499716.db2.gz JZPSVTQRQHUOGH-WBAXXEDZSA-N 2 2 349.450 1.625 20 0 EDADLP O=C(N1CC[NH+](Cc2cccnc2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000324262789 485524526 /nfs/dbraw/zinc/52/45/26/485524526.db2.gz HVHJXJMLCUYIIN-OAHLLOKOSA-N 2 2 342.365 1.268 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000669542995 485528648 /nfs/dbraw/zinc/52/86/48/485528648.db2.gz XXLPHPYKYMQKQT-XHSDSOJGSA-N 2 2 329.448 1.301 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nc12 ZINC000324362290 485545041 /nfs/dbraw/zinc/54/50/41/485545041.db2.gz IMWHRTHJMACYKM-NVXWUHKLSA-N 2 2 326.444 1.967 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)nc12 ZINC000324362290 485545045 /nfs/dbraw/zinc/54/50/45/485545045.db2.gz IMWHRTHJMACYKM-NVXWUHKLSA-N 2 2 326.444 1.967 20 0 EDADLP O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986512 485610103 /nfs/dbraw/zinc/61/01/03/485610103.db2.gz VGLLDVUIQLLGPN-ROUUACIJSA-N 2 2 334.460 1.613 20 0 EDADLP O[C@H](COc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986512 485610107 /nfs/dbraw/zinc/61/01/07/485610107.db2.gz VGLLDVUIQLLGPN-ROUUACIJSA-N 2 2 334.460 1.613 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000673662077 485623514 /nfs/dbraw/zinc/62/35/14/485623514.db2.gz MZUWNUTVBDIYOM-UHFFFAOYSA-N 2 2 333.480 1.279 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000673662077 485623521 /nfs/dbraw/zinc/62/35/21/485623521.db2.gz MZUWNUTVBDIYOM-UHFFFAOYSA-N 2 2 333.480 1.279 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000673662077 485623529 /nfs/dbraw/zinc/62/35/29/485623529.db2.gz MZUWNUTVBDIYOM-UHFFFAOYSA-N 2 2 333.480 1.279 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCc3cccnc3)C2)CC1 ZINC000668640341 485983544 /nfs/dbraw/zinc/98/35/44/485983544.db2.gz RAOVHUVJZSINPU-QGZVFWFLSA-N 2 2 330.476 1.689 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCc3cccnc3)C2)CC1 ZINC000668640341 485983550 /nfs/dbraw/zinc/98/35/50/485983550.db2.gz RAOVHUVJZSINPU-QGZVFWFLSA-N 2 2 330.476 1.689 20 0 EDADLP c1c(Cc2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)[nH+]c2n1CCCC2 ZINC000351438604 486082476 /nfs/dbraw/zinc/08/24/76/486082476.db2.gz XPUDZCZLKGOHPO-ZIAGYGMSSA-N 2 2 329.404 1.729 20 0 EDADLP c1c(Cc2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)[nH+]c2n1CCCC2 ZINC000351438604 486082483 /nfs/dbraw/zinc/08/24/83/486082483.db2.gz XPUDZCZLKGOHPO-ZIAGYGMSSA-N 2 2 329.404 1.729 20 0 EDADLP COCCOc1cccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000668793526 486203629 /nfs/dbraw/zinc/20/36/29/486203629.db2.gz DVVVOXIZJRTIOO-UHFFFAOYSA-N 2 2 330.432 1.768 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)C1 ZINC000668817905 486225837 /nfs/dbraw/zinc/22/58/37/486225837.db2.gz BYTBHKKWQMEUAH-OAGGEKHMSA-N 2 2 348.491 1.768 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)C1 ZINC000668817905 486225842 /nfs/dbraw/zinc/22/58/42/486225842.db2.gz BYTBHKKWQMEUAH-OAGGEKHMSA-N 2 2 348.491 1.768 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C1 ZINC000668817905 486225846 /nfs/dbraw/zinc/22/58/46/486225846.db2.gz BYTBHKKWQMEUAH-OAGGEKHMSA-N 2 2 348.491 1.768 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C1 ZINC000668817905 486225852 /nfs/dbraw/zinc/22/58/52/486225852.db2.gz BYTBHKKWQMEUAH-OAGGEKHMSA-N 2 2 348.491 1.768 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000669484316 486249912 /nfs/dbraw/zinc/24/99/12/486249912.db2.gz QHTGBKNXRLOLKJ-OAHLLOKOSA-N 3 2 337.512 1.116 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000669484316 486249917 /nfs/dbraw/zinc/24/99/17/486249917.db2.gz QHTGBKNXRLOLKJ-OAHLLOKOSA-N 3 2 337.512 1.116 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NCC[NH2+]C2CC2)cc1 ZINC000668844241 486254233 /nfs/dbraw/zinc/25/42/33/486254233.db2.gz XEFHYFCKELHWRS-SFHVURJKSA-N 2 2 346.475 1.420 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cn1 ZINC000088391978 491194454 /nfs/dbraw/zinc/19/44/54/491194454.db2.gz KJYPBBNNLJUUIJ-AWEZNQCLSA-N 2 2 331.424 1.927 20 0 EDADLP CC[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123841294 491207360 /nfs/dbraw/zinc/20/73/60/491207360.db2.gz ZXJLUDYMHVSFIF-RYQLBKOJSA-N 2 2 333.476 1.732 20 0 EDADLP CC[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123841294 491207361 /nfs/dbraw/zinc/20/73/61/491207361.db2.gz ZXJLUDYMHVSFIF-RYQLBKOJSA-N 2 2 333.476 1.732 20 0 EDADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000133082789 491219692 /nfs/dbraw/zinc/21/96/92/491219692.db2.gz YUHPCTOJSCIFKY-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133082789 491219694 /nfs/dbraw/zinc/21/96/94/491219694.db2.gz YUHPCTOJSCIFKY-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4cc[nH]c4n3)C2)CC1 ZINC000679409102 491011263 /nfs/dbraw/zinc/01/12/63/491011263.db2.gz WNJLVFNSAKKFIE-CQSZACIVSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4cc[nH]c4n3)C2)CC1 ZINC000679409102 491011265 /nfs/dbraw/zinc/01/12/65/491011265.db2.gz WNJLVFNSAKKFIE-CQSZACIVSA-N 2 2 327.432 1.461 20 0 EDADLP COC1CC[NH+](CCNC(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000080097579 491170006 /nfs/dbraw/zinc/17/00/06/491170006.db2.gz IIQSWWHVMKJPQC-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420367070 500802156 /nfs/dbraw/zinc/80/21/56/500802156.db2.gz SAKYGRUONAWZOR-LLVKDONJSA-N 2 2 325.434 1.451 20 0 EDADLP Cc1cc(N2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2[nH+]1 ZINC000298125110 500961424 /nfs/dbraw/zinc/96/14/24/500961424.db2.gz VHUAHOXUZRZLBN-OAHLLOKOSA-N 2 2 345.468 1.852 20 0 EDADLP C[C@@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000174737906 533920019 /nfs/dbraw/zinc/92/00/19/533920019.db2.gz GZNAHNPAVXEPII-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000174737906 533920029 /nfs/dbraw/zinc/92/00/29/533920029.db2.gz GZNAHNPAVXEPII-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000174729716 527729321 /nfs/dbraw/zinc/72/93/21/527729321.db2.gz MFURGDOKRTUQMY-GOSISDBHSA-N 2 2 347.459 1.221 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000174729716 527729325 /nfs/dbraw/zinc/72/93/25/527729325.db2.gz MFURGDOKRTUQMY-GOSISDBHSA-N 2 2 347.459 1.221 20 0 EDADLP CC1CCN(C(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000174900095 528218650 /nfs/dbraw/zinc/21/86/50/528218650.db2.gz NDFVJGFOKMSZNU-SFHVURJKSA-N 2 2 336.524 1.347 20 0 EDADLP CC1CCN(C(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000174900095 528218651 /nfs/dbraw/zinc/21/86/51/528218651.db2.gz NDFVJGFOKMSZNU-SFHVURJKSA-N 2 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(=O)OC)s3)C2)CC1 ZINC000131315440 529151289 /nfs/dbraw/zinc/15/12/89/529151289.db2.gz IOFDWINCOSXPDG-CQSZACIVSA-N 2 2 337.489 1.747 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(=O)OC)s3)C2)CC1 ZINC000131315440 529151290 /nfs/dbraw/zinc/15/12/90/529151290.db2.gz IOFDWINCOSXPDG-CQSZACIVSA-N 2 2 337.489 1.747 20 0 EDADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000261809237 535026508 /nfs/dbraw/zinc/02/65/08/535026508.db2.gz HNDXAHGYDIGKDF-QGZVFWFLSA-N 2 2 345.491 1.322 20 0 EDADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000261809237 535026513 /nfs/dbraw/zinc/02/65/13/535026513.db2.gz HNDXAHGYDIGKDF-QGZVFWFLSA-N 2 2 345.491 1.322 20 0 EDADLP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369765 535114740 /nfs/dbraw/zinc/11/47/40/535114740.db2.gz YDMOSFGOGMZUNQ-MSOLQXFVSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369765 535114750 /nfs/dbraw/zinc/11/47/50/535114750.db2.gz YDMOSFGOGMZUNQ-MSOLQXFVSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCc1noc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000195519257 535122204 /nfs/dbraw/zinc/12/22/04/535122204.db2.gz PIAOEAFUPCPLMT-UHFFFAOYSA-N 2 2 337.468 1.302 20 0 EDADLP CC(C)[C@@](C)(CO)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352873049 535309567 /nfs/dbraw/zinc/30/95/67/535309567.db2.gz SIRGXEGQPWVSGE-QGZVFWFLSA-N 2 2 339.505 1.389 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000339947673 535574449 /nfs/dbraw/zinc/57/44/49/535574449.db2.gz QZLFNDVBIZZKAT-MRXNPFEDSA-N 2 2 333.480 1.639 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000271724399 535661572 /nfs/dbraw/zinc/66/15/72/535661572.db2.gz ZQRVBJRTDOZANM-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C(=O)OC)c3ccccc3)C2)CC1 ZINC000245445294 535737494 /nfs/dbraw/zinc/73/74/94/535737494.db2.gz YSPAQKWJNNAVRC-QZTJIDSGSA-N 2 2 331.460 1.613 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C(=O)OC)c3ccccc3)C2)CC1 ZINC000245445294 535737503 /nfs/dbraw/zinc/73/75/03/535737503.db2.gz YSPAQKWJNNAVRC-QZTJIDSGSA-N 2 2 331.460 1.613 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncccc3C(=O)OC)C2)CC1 ZINC000340276485 535738105 /nfs/dbraw/zinc/73/81/05/535738105.db2.gz GLFSTWGUUNHRSU-OAHLLOKOSA-N 2 2 332.448 1.080 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncccc3C(=O)OC)C2)CC1 ZINC000340276485 535738106 /nfs/dbraw/zinc/73/81/06/535738106.db2.gz GLFSTWGUUNHRSU-OAHLLOKOSA-N 2 2 332.448 1.080 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@@H]1C ZINC000332334501 535774736 /nfs/dbraw/zinc/77/47/36/535774736.db2.gz UHSPPNFEEPRUQL-UONOGXRCSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@@H]1C ZINC000332334501 535774740 /nfs/dbraw/zinc/77/47/40/535774740.db2.gz UHSPPNFEEPRUQL-UONOGXRCSA-N 2 2 347.463 1.057 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CC(=O)NCCc2ccccc2)s1 ZINC000352751335 536056800 /nfs/dbraw/zinc/05/68/00/536056800.db2.gz UEBQKWIFMJCFAM-UHFFFAOYSA-N 2 2 332.473 1.653 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC([N@H+](C)CCCO)CC3)cc2oc1=O ZINC000332584833 536357251 /nfs/dbraw/zinc/35/72/51/536357251.db2.gz KLAHBMDYXXOCSW-UHFFFAOYSA-N 2 2 333.432 1.410 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)cc2oc1=O ZINC000332584833 536357254 /nfs/dbraw/zinc/35/72/54/536357254.db2.gz KLAHBMDYXXOCSW-UHFFFAOYSA-N 2 2 333.432 1.410 20 0 EDADLP Cn1c2ccccc2[nH+]c1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000270604206 536369239 /nfs/dbraw/zinc/36/92/39/536369239.db2.gz WPNROXWRZFTUDS-MRXNPFEDSA-N 2 2 327.432 1.316 20 0 EDADLP Cn1c2ccccc2[nH+]c1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000270604206 536369241 /nfs/dbraw/zinc/36/92/41/536369241.db2.gz WPNROXWRZFTUDS-MRXNPFEDSA-N 2 2 327.432 1.316 20 0 EDADLP C[N@H+](CCNC(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000104781613 536379949 /nfs/dbraw/zinc/37/99/49/536379949.db2.gz QRIHOLORAXMZQF-UHFFFAOYSA-N 2 2 333.480 1.936 20 0 EDADLP C[N@@H+](CCNC(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC000104781613 536379952 /nfs/dbraw/zinc/37/99/52/536379952.db2.gz QRIHOLORAXMZQF-UHFFFAOYSA-N 2 2 333.480 1.936 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000262607841 536654995 /nfs/dbraw/zinc/65/49/95/536654995.db2.gz YKCCOGMNBYOWNE-OAHLLOKOSA-N 2 2 325.840 1.348 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000262607841 536655000 /nfs/dbraw/zinc/65/50/00/536655000.db2.gz YKCCOGMNBYOWNE-OAHLLOKOSA-N 2 2 325.840 1.348 20 0 EDADLP COC(=O)[C@H](O)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346173832 536749852 /nfs/dbraw/zinc/74/98/52/536749852.db2.gz PWTXBBODZGJOJG-OAHLLOKOSA-N 2 2 335.429 1.680 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[N@H+](C)C1 ZINC000347648608 536777811 /nfs/dbraw/zinc/77/78/11/536777811.db2.gz HTCVPPSMJIACSH-OWCLPIDISA-N 2 2 347.463 1.021 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[N@@H+](C)C1 ZINC000347648608 536777818 /nfs/dbraw/zinc/77/78/18/536777818.db2.gz HTCVPPSMJIACSH-OWCLPIDISA-N 2 2 347.463 1.021 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@H]1C ZINC000740882546 579388107 /nfs/dbraw/zinc/38/81/07/579388107.db2.gz JMBXFGSBDYUCGC-HZPDHXFCSA-N 2 2 339.480 1.157 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@H]1C ZINC000740882546 579388108 /nfs/dbraw/zinc/38/81/08/579388108.db2.gz JMBXFGSBDYUCGC-HZPDHXFCSA-N 2 2 339.480 1.157 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@H]1C ZINC000740882546 579388110 /nfs/dbraw/zinc/38/81/10/579388110.db2.gz JMBXFGSBDYUCGC-HZPDHXFCSA-N 2 2 339.480 1.157 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@H]1C ZINC000740882546 579388112 /nfs/dbraw/zinc/38/81/12/579388112.db2.gz JMBXFGSBDYUCGC-HZPDHXFCSA-N 2 2 339.480 1.157 20 0 EDADLP Cc1c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)sc2nc(C)nc(C)c12 ZINC000742718588 579460709 /nfs/dbraw/zinc/46/07/09/579460709.db2.gz QIHFSEFTVYFHTB-UHFFFAOYSA-N 2 2 347.488 1.480 20 0 EDADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC[NH+](C)C ZINC000743503638 579482652 /nfs/dbraw/zinc/48/26/52/579482652.db2.gz IQBKAFSHWMXZOI-GFCCVEGCSA-N 2 2 348.900 1.246 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743852420 578282654 /nfs/dbraw/zinc/28/26/54/578282654.db2.gz ZKLXNHGLAIYNTF-INIZCTEOSA-N 2 2 332.510 1.246 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743852420 578282655 /nfs/dbraw/zinc/28/26/55/578282655.db2.gz ZKLXNHGLAIYNTF-INIZCTEOSA-N 2 2 332.510 1.246 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)CC(C)C ZINC000726259553 578340270 /nfs/dbraw/zinc/34/02/70/578340270.db2.gz NBDMMOJHFYRXDJ-IAGOWNOFSA-N 2 2 342.528 1.763 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)CC(C)C ZINC000726259553 578340272 /nfs/dbraw/zinc/34/02/72/578340272.db2.gz NBDMMOJHFYRXDJ-IAGOWNOFSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=S)NCc2cccs2)CC1 ZINC000749004146 578504566 /nfs/dbraw/zinc/50/45/66/578504566.db2.gz FHAPIWYNNLFQCK-UHFFFAOYSA-N 2 2 326.535 1.738 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000729919831 578599196 /nfs/dbraw/zinc/59/91/96/578599196.db2.gz FUGZPCCYYUQUAZ-RDJZCZTQSA-N 2 2 349.456 1.657 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000729919831 578599198 /nfs/dbraw/zinc/59/91/98/578599198.db2.gz FUGZPCCYYUQUAZ-RDJZCZTQSA-N 2 2 349.456 1.657 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000731115794 578668181 /nfs/dbraw/zinc/66/81/81/578668181.db2.gz IFIGKAIXCLFMIK-OAHLLOKOSA-N 2 2 328.420 1.408 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000731115794 578668182 /nfs/dbraw/zinc/66/81/82/578668182.db2.gz IFIGKAIXCLFMIK-OAHLLOKOSA-N 2 2 328.420 1.408 20 0 EDADLP Cc1c(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)sc2nc(C)nc(C)c12 ZINC000732230572 578698279 /nfs/dbraw/zinc/69/82/79/578698279.db2.gz MKOPFZDZFQCTCZ-AWEZNQCLSA-N 2 2 333.505 1.952 20 0 EDADLP Cc1c(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)sc2nc(C)nc(C)c12 ZINC000732230572 578698281 /nfs/dbraw/zinc/69/82/81/578698281.db2.gz MKOPFZDZFQCTCZ-AWEZNQCLSA-N 2 2 333.505 1.952 20 0 EDADLP C[C@@H](C(=O)NCCCCCCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000732912854 578735434 /nfs/dbraw/zinc/73/54/34/578735434.db2.gz NUTNMCYMYJUZSF-SFHVURJKSA-N 2 2 338.540 1.785 20 0 EDADLP Cc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)o1 ZINC000734832679 578840934 /nfs/dbraw/zinc/84/09/34/578840934.db2.gz UDRUNWHGAHTJIL-AWEZNQCLSA-N 2 2 346.431 1.699 20 0 EDADLP Cc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)o1 ZINC000734832679 578840936 /nfs/dbraw/zinc/84/09/36/578840936.db2.gz UDRUNWHGAHTJIL-AWEZNQCLSA-N 2 2 346.431 1.699 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000735187328 578866729 /nfs/dbraw/zinc/86/67/29/578866729.db2.gz NVJZKJMKZRZRCU-QZTJIDSGSA-N 2 2 346.475 1.141 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000735187328 578866731 /nfs/dbraw/zinc/86/67/31/578866731.db2.gz NVJZKJMKZRZRCU-QZTJIDSGSA-N 2 2 346.475 1.141 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000761071586 580046333 /nfs/dbraw/zinc/04/63/33/580046333.db2.gz QCOVUXMHBKSNLY-ROUUACIJSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000761071586 580046334 /nfs/dbraw/zinc/04/63/34/580046334.db2.gz QCOVUXMHBKSNLY-ROUUACIJSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1C ZINC000761076168 580046790 /nfs/dbraw/zinc/04/67/90/580046790.db2.gz HQXNEVOOZPHGLN-HNNXBMFYSA-N 2 2 336.505 1.028 20 0 EDADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1C ZINC000761076168 580046791 /nfs/dbraw/zinc/04/67/91/580046791.db2.gz HQXNEVOOZPHGLN-HNNXBMFYSA-N 2 2 336.505 1.028 20 0 EDADLP COCCS(=O)(=O)CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761117696 580048808 /nfs/dbraw/zinc/04/88/08/580048808.db2.gz LPJJFZPHDDLEGP-UHFFFAOYSA-N 2 2 341.477 1.409 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H](C)C1 ZINC000746472427 579596560 /nfs/dbraw/zinc/59/65/60/579596560.db2.gz PHNIMRKRJOWKOU-DZGCQCFKSA-N 2 2 343.493 1.692 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H](C)C1 ZINC000746472427 579596561 /nfs/dbraw/zinc/59/65/61/579596561.db2.gz PHNIMRKRJOWKOU-DZGCQCFKSA-N 2 2 343.493 1.692 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H](C)C1 ZINC000746472427 579596563 /nfs/dbraw/zinc/59/65/63/579596563.db2.gz PHNIMRKRJOWKOU-DZGCQCFKSA-N 2 2 343.493 1.692 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H](C)C1 ZINC000746472427 579596564 /nfs/dbraw/zinc/59/65/64/579596564.db2.gz PHNIMRKRJOWKOU-DZGCQCFKSA-N 2 2 343.493 1.692 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cn1c2ccccc2oc1=O ZINC000746651879 579604930 /nfs/dbraw/zinc/60/49/30/579604930.db2.gz UZFPKQZREAYIRS-JKIFEVAISA-N 2 2 331.416 1.736 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cn1c2ccccc2oc1=O ZINC000746651879 579604932 /nfs/dbraw/zinc/60/49/32/579604932.db2.gz UZFPKQZREAYIRS-JKIFEVAISA-N 2 2 331.416 1.736 20 0 EDADLP C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000746651924 579605127 /nfs/dbraw/zinc/60/51/27/579605127.db2.gz ZQLMJVJXWXDQBC-ROUUACIJSA-N 2 2 336.524 1.395 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777665968 580448007 /nfs/dbraw/zinc/44/80/07/580448007.db2.gz SPBIYLOAIPZSNU-HOTGVXAUSA-N 2 2 347.463 1.141 20 0 EDADLP COC(=O)/C(C)=C\C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000748818173 579701941 /nfs/dbraw/zinc/70/19/41/579701941.db2.gz WAQUBIZUMPHYQJ-NVMNQCDNSA-N 2 2 345.487 1.855 20 0 EDADLP COC(=O)/C(C)=C\C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000748818173 579701943 /nfs/dbraw/zinc/70/19/43/579701943.db2.gz WAQUBIZUMPHYQJ-NVMNQCDNSA-N 2 2 345.487 1.855 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(F)(F)c3nccs3)C2)CC1 ZINC000756485649 579950811 /nfs/dbraw/zinc/95/08/11/579950811.db2.gz NNPVHGSQYTXAJD-LLVKDONJSA-N 2 2 344.431 1.520 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(F)(F)c3nccs3)C2)CC1 ZINC000756485649 579950812 /nfs/dbraw/zinc/95/08/12/579950812.db2.gz NNPVHGSQYTXAJD-LLVKDONJSA-N 2 2 344.431 1.520 20 0 EDADLP C[NH+](C)CCOc1cc(NC(=O)c2cccc3[nH+]ccn32)ccn1 ZINC000765388792 580140938 /nfs/dbraw/zinc/14/09/38/580140938.db2.gz KLRNWJRIJQITBA-UHFFFAOYSA-N 2 2 325.372 1.922 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(=O)NCc2ccccc2)CC1 ZINC000765941523 580154366 /nfs/dbraw/zinc/15/43/66/580154366.db2.gz RCBWQCVNBQYTOI-UHFFFAOYSA-N 2 2 347.459 1.310 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000766398594 580166073 /nfs/dbraw/zinc/16/60/73/580166073.db2.gz SKXILPYOYPEZJY-UHFFFAOYSA-N 2 2 335.423 1.192 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000775824868 580401998 /nfs/dbraw/zinc/40/19/98/580401998.db2.gz WCSJNZQCBUVOOI-MRXNPFEDSA-N 2 2 333.480 1.251 20 0 EDADLP Cc1ccnc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000779650315 580492774 /nfs/dbraw/zinc/49/27/74/580492774.db2.gz YRHOVKWOFKIWSX-INIZCTEOSA-N 2 2 341.415 1.684 20 0 EDADLP Cc1ccnc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000779650315 580492775 /nfs/dbraw/zinc/49/27/75/580492775.db2.gz YRHOVKWOFKIWSX-INIZCTEOSA-N 2 2 341.415 1.684 20 0 EDADLP Cc1cc(C(=O)CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c(C)n1C ZINC000779655173 580493527 /nfs/dbraw/zinc/49/35/27/580493527.db2.gz SGZKMHZIZKYTMO-MRXNPFEDSA-N 2 2 336.436 1.432 20 0 EDADLP Cc1cc(C(=O)CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c(C)n1C ZINC000779655173 580493528 /nfs/dbraw/zinc/49/35/28/580493528.db2.gz SGZKMHZIZKYTMO-MRXNPFEDSA-N 2 2 336.436 1.432 20 0 EDADLP CN(C)c1cccc(C[N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000783996089 580611343 /nfs/dbraw/zinc/61/13/43/580611343.db2.gz OMMZJWMZSMSWNS-MRXNPFEDSA-N 2 2 341.459 1.892 20 0 EDADLP CN(C)c1cccc(C[N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000783996089 580611344 /nfs/dbraw/zinc/61/13/44/580611344.db2.gz OMMZJWMZSMSWNS-MRXNPFEDSA-N 2 2 341.459 1.892 20 0 EDADLP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)NC(=O)OC(C)(C)C ZINC000785473637 580645247 /nfs/dbraw/zinc/64/52/47/580645247.db2.gz GQDLLADZDYEWNS-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)NC(=O)OC(C)(C)C ZINC000785473637 580645248 /nfs/dbraw/zinc/64/52/48/580645248.db2.gz GQDLLADZDYEWNS-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP [NH2+]=C(NOCc1ncccn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000790511002 580772012 /nfs/dbraw/zinc/77/20/12/580772012.db2.gz SLQXPECPGLMNHK-OAHLLOKOSA-N 2 2 327.388 1.376 20 0 EDADLP [NH2+]=C(NOCc1ncccn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000790511002 580772013 /nfs/dbraw/zinc/77/20/13/580772013.db2.gz SLQXPECPGLMNHK-OAHLLOKOSA-N 2 2 327.388 1.376 20 0 EDADLP Nc1cc(COC(=O)C2(C(=O)OCc3cc[nH+]c(N)c3)CC2)cc[nH+]1 ZINC000792184793 580812758 /nfs/dbraw/zinc/81/27/58/580812758.db2.gz WJRDCYCAYYNSTP-UHFFFAOYSA-N 2 2 342.355 1.208 20 0 EDADLP CNC(=O)C1([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000792871692 580829814 /nfs/dbraw/zinc/82/98/14/580829814.db2.gz LDIMLWIHSLENAF-SFHVURJKSA-N 2 2 345.487 1.926 20 0 EDADLP CNC(=O)C1([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000792871692 580829815 /nfs/dbraw/zinc/82/98/15/580829815.db2.gz LDIMLWIHSLENAF-SFHVURJKSA-N 2 2 345.487 1.926 20 0 EDADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000793502131 580846249 /nfs/dbraw/zinc/84/62/49/580846249.db2.gz WOTONHMKXDSJKU-INIZCTEOSA-N 2 2 334.464 1.766 20 0 EDADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000793502131 580846250 /nfs/dbraw/zinc/84/62/50/580846250.db2.gz WOTONHMKXDSJKU-INIZCTEOSA-N 2 2 334.464 1.766 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[NH+]1CCCCC1 ZINC000793718283 580853439 /nfs/dbraw/zinc/85/34/39/580853439.db2.gz NLLVESCLBOTCEV-JKSUJKDBSA-N 2 2 347.463 1.037 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000794950227 580908856 /nfs/dbraw/zinc/90/88/56/580908856.db2.gz WJIJGDMAXGLPAO-HOTGVXAUSA-N 2 2 338.496 1.175 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000794950227 580908857 /nfs/dbraw/zinc/90/88/57/580908857.db2.gz WJIJGDMAXGLPAO-HOTGVXAUSA-N 2 2 338.496 1.175 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799014021 581013979 /nfs/dbraw/zinc/01/39/79/581013979.db2.gz BUYICPZEBFTOTO-IBGZPJMESA-N 2 2 326.444 1.991 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014021 581013980 /nfs/dbraw/zinc/01/39/80/581013980.db2.gz BUYICPZEBFTOTO-IBGZPJMESA-N 2 2 326.444 1.991 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](c3ccccn3)C2)C1 ZINC000799156793 581019845 /nfs/dbraw/zinc/01/98/45/581019845.db2.gz YUXHQTBVABIVAZ-LSDHHAIUSA-N 2 2 325.416 1.578 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](c3ccccn3)C2)C1 ZINC000799156793 581019846 /nfs/dbraw/zinc/01/98/46/581019846.db2.gz YUXHQTBVABIVAZ-LSDHHAIUSA-N 2 2 325.416 1.578 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC3CCS(=O)CC3)[nH+]c2)CC1 ZINC000893135518 590675685 /nfs/dbraw/zinc/67/56/85/590675685.db2.gz NHMXIZRKPFNZSP-UHFFFAOYSA-N 2 2 336.505 1.935 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000891947133 590700155 /nfs/dbraw/zinc/70/01/55/590700155.db2.gz DBAZYLVKXOLWBG-JSGCOSHPSA-N 2 2 327.270 1.711 20 0 EDADLP C[NH+]1CCN(c2ncccc2CNc2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000892039226 590765637 /nfs/dbraw/zinc/76/56/37/590765637.db2.gz NASWHEALELLZCH-UHFFFAOYSA-N 2 2 340.435 1.090 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892091213 590795022 /nfs/dbraw/zinc/79/50/22/590795022.db2.gz DEJNKLIHPDIUHQ-UKRRQHHQSA-N 2 2 349.504 1.432 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC000892282776 590912759 /nfs/dbraw/zinc/91/27/59/590912759.db2.gz NADXMZQJLQOIDY-RDTXWAMCSA-N 2 2 346.479 1.904 20 0 EDADLP CNc1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc[nH+]1 ZINC000892331397 590957290 /nfs/dbraw/zinc/95/72/90/590957290.db2.gz HOBIRQGURYGOGC-UHFFFAOYSA-N 2 2 342.451 1.323 20 0 EDADLP CNc1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)[nH+]cn1 ZINC000892331397 590957292 /nfs/dbraw/zinc/95/72/92/590957292.db2.gz HOBIRQGURYGOGC-UHFFFAOYSA-N 2 2 342.451 1.323 20 0 EDADLP CC1(C)CC[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)[NH2+]C1 ZINC000892394520 591009272 /nfs/dbraw/zinc/00/92/72/591009272.db2.gz VLISVWWDROEXNX-OAHLLOKOSA-N 2 2 331.464 1.691 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc(NC)[nH+]cn3)CC2)CC1 ZINC000892429299 591025002 /nfs/dbraw/zinc/02/50/02/591025002.db2.gz JBSJWVHTQMDYIB-UHFFFAOYSA-N 2 2 346.479 1.289 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc(NC)nc[nH+]3)CC2)CC1 ZINC000892429299 591025005 /nfs/dbraw/zinc/02/50/05/591025005.db2.gz JBSJWVHTQMDYIB-UHFFFAOYSA-N 2 2 346.479 1.289 20 0 EDADLP O=S(=O)(c1ccccc1)C1CC([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000893706147 591055780 /nfs/dbraw/zinc/05/57/80/591055780.db2.gz BJKCUZSVJAWZAK-HLIUYOAVSA-N 2 2 331.441 1.792 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000893720080 591063975 /nfs/dbraw/zinc/06/39/75/591063975.db2.gz VFWKTWZHOJEYHT-HOTGVXAUSA-N 2 2 341.496 1.869 20 0 EDADLP Cc1cc(N)nc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[nH+]1 ZINC000892591363 591084383 /nfs/dbraw/zinc/08/43/83/591084383.db2.gz GCFIRXYMFODLDO-AWEZNQCLSA-N 2 2 327.436 1.385 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000892610232 591094159 /nfs/dbraw/zinc/09/41/59/591094159.db2.gz AURJJZLSAXJFIG-MSOLQXFVSA-N 2 2 346.475 1.186 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000892610232 591094165 /nfs/dbraw/zinc/09/41/65/591094165.db2.gz AURJJZLSAXJFIG-MSOLQXFVSA-N 2 2 346.475 1.186 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000892610488 591095034 /nfs/dbraw/zinc/09/50/34/591095034.db2.gz BYCIYALOQQILRV-ZWKOTPCHSA-N 2 2 346.475 1.199 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000892610488 591095038 /nfs/dbraw/zinc/09/50/38/591095038.db2.gz BYCIYALOQQILRV-ZWKOTPCHSA-N 2 2 346.475 1.199 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000892613383 591096831 /nfs/dbraw/zinc/09/68/31/591096831.db2.gz CRZWKZGYUMQWIF-GOSISDBHSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000892613383 591096836 /nfs/dbraw/zinc/09/68/36/591096836.db2.gz CRZWKZGYUMQWIF-GOSISDBHSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000893868434 591121219 /nfs/dbraw/zinc/12/12/19/591121219.db2.gz XTRXAKVIABULNW-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000893868434 591121220 /nfs/dbraw/zinc/12/12/20/591121220.db2.gz XTRXAKVIABULNW-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP CNC(=O)CCC[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892704649 591139452 /nfs/dbraw/zinc/13/94/52/591139452.db2.gz JBCKLYGPASWTNJ-UHFFFAOYSA-N 2 2 342.484 1.091 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000891607069 591147683 /nfs/dbraw/zinc/14/76/83/591147683.db2.gz QNPKGOIXXVTJFN-GJZGRUSLSA-N 2 2 345.491 1.853 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000891607069 591147685 /nfs/dbraw/zinc/14/76/85/591147685.db2.gz QNPKGOIXXVTJFN-GJZGRUSLSA-N 2 2 345.491 1.853 20 0 EDADLP Cc1n[nH]c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000894005213 591166417 /nfs/dbraw/zinc/16/64/17/591166417.db2.gz CMKOESDRLYPRSB-UHFFFAOYSA-N 2 2 333.480 1.403 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)[nH]n1 ZINC000895630142 591235918 /nfs/dbraw/zinc/23/59/18/591235918.db2.gz VGNXUAHNRJANKT-MRXNPFEDSA-N 2 2 342.447 1.682 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)[nH]n1 ZINC000895630142 591235919 /nfs/dbraw/zinc/23/59/19/591235919.db2.gz VGNXUAHNRJANKT-MRXNPFEDSA-N 2 2 342.447 1.682 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000892984509 591246405 /nfs/dbraw/zinc/24/64/05/591246405.db2.gz WJDOYTXEJITDPH-JKSUJKDBSA-N 2 2 333.480 1.828 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)[nH+]cn1 ZINC000892984509 591246407 /nfs/dbraw/zinc/24/64/07/591246407.db2.gz WJDOYTXEJITDPH-JKSUJKDBSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000895778774 591271747 /nfs/dbraw/zinc/27/17/47/591271747.db2.gz KQMKWJHXSYWTEE-GJZGRUSLSA-N 2 2 327.469 1.479 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(C2CC2)n1 ZINC000896029727 591327589 /nfs/dbraw/zinc/32/75/89/591327589.db2.gz DFUFHBIABNMAGM-GOSISDBHSA-N 2 2 347.507 1.184 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)[nH]n1 ZINC000898438687 591348563 /nfs/dbraw/zinc/34/85/63/591348563.db2.gz IEEAVMCSOKOMRB-XKQJLSEDSA-N 2 2 331.464 1.923 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)[nH]n1 ZINC000898438687 591348567 /nfs/dbraw/zinc/34/85/67/591348567.db2.gz IEEAVMCSOKOMRB-XKQJLSEDSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000898438687 591348569 /nfs/dbraw/zinc/34/85/69/591348569.db2.gz IEEAVMCSOKOMRB-XKQJLSEDSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]n1 ZINC000898438687 591348572 /nfs/dbraw/zinc/34/85/72/591348572.db2.gz IEEAVMCSOKOMRB-XKQJLSEDSA-N 2 2 331.464 1.923 20 0 EDADLP O=c1oc2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2o1 ZINC000894670031 591382201 /nfs/dbraw/zinc/38/22/01/591382201.db2.gz FEKHWSLSWYDXIO-HNNXBMFYSA-N 2 2 332.400 1.930 20 0 EDADLP O=c1oc2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2o1 ZINC000894670031 591382206 /nfs/dbraw/zinc/38/22/06/591382206.db2.gz FEKHWSLSWYDXIO-HNNXBMFYSA-N 2 2 332.400 1.930 20 0 EDADLP C[C@H]1CCc2[nH]nc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000896324877 591419521 /nfs/dbraw/zinc/41/95/21/591419521.db2.gz KVTNBFVRAPBWGX-UONOGXRCSA-N 2 2 345.491 1.433 20 0 EDADLP C[C@H]1CCc2[nH]nc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000896324877 591419523 /nfs/dbraw/zinc/41/95/23/591419523.db2.gz KVTNBFVRAPBWGX-UONOGXRCSA-N 2 2 345.491 1.433 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898629785 591442220 /nfs/dbraw/zinc/44/22/20/591442220.db2.gz SHZLUVFJRYLHGN-IYBDPMFKSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898629785 591442222 /nfs/dbraw/zinc/44/22/22/591442222.db2.gz SHZLUVFJRYLHGN-IYBDPMFKSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+]1CCN(C)CC1 ZINC000896426778 591464097 /nfs/dbraw/zinc/46/40/97/591464097.db2.gz FVZXWCLRTHXVJW-BHIYHBOVSA-N 2 2 344.503 1.432 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+]1CCN(C)CC1 ZINC000896426778 591464100 /nfs/dbraw/zinc/46/41/00/591464100.db2.gz FVZXWCLRTHXVJW-BHIYHBOVSA-N 2 2 344.503 1.432 20 0 EDADLP Cn1cc(CCC[NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)cn1 ZINC000898720669 591484405 /nfs/dbraw/zinc/48/44/05/591484405.db2.gz NGARZCJDKKPWBI-GFCCVEGCSA-N 2 2 338.253 1.916 20 0 EDADLP CC[C@H](CO)Nc1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc[nH+]1 ZINC000896524784 591492757 /nfs/dbraw/zinc/49/27/57/591492757.db2.gz HWXNUPGGOBOUKO-HIFRSBDPSA-N 2 2 335.452 1.325 20 0 EDADLP CC[C@H](CO)Nc1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)nc[nH+]1 ZINC000896524784 591492761 /nfs/dbraw/zinc/49/27/61/591492761.db2.gz HWXNUPGGOBOUKO-HIFRSBDPSA-N 2 2 335.452 1.325 20 0 EDADLP CCc1cc(N2CC[C@@](O)(C[NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000895008883 591526332 /nfs/dbraw/zinc/52/63/32/591526332.db2.gz HMIWEFHMKGAVJE-GOSISDBHSA-N 2 2 327.432 1.604 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000898883771 591577269 /nfs/dbraw/zinc/57/72/69/591577269.db2.gz KPUWYDAEMGLEDM-IRXDYDNUSA-N 2 2 342.443 1.624 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000898883771 591577273 /nfs/dbraw/zinc/57/72/73/591577273.db2.gz KPUWYDAEMGLEDM-IRXDYDNUSA-N 2 2 342.443 1.624 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000898958374 591616625 /nfs/dbraw/zinc/61/66/25/591616625.db2.gz AATWVHHVYLGSCK-HUUCEWRRSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000898958374 591616627 /nfs/dbraw/zinc/61/66/27/591616627.db2.gz AATWVHHVYLGSCK-HUUCEWRRSA-N 2 2 327.432 1.878 20 0 EDADLP CC(C)(C)OC(=O)N1CC(O)(C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000895208083 591657196 /nfs/dbraw/zinc/65/71/96/591657196.db2.gz PUPDPCNERLZDIK-UHFFFAOYSA-N 2 2 332.404 1.406 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)C2C[NH+](C3CCOCC3)C2)CC1(C)C ZINC000897883822 591705369 /nfs/dbraw/zinc/70/53/69/591705369.db2.gz PFPYSRAGPWTDEO-HNNXBMFYSA-N 2 2 332.448 1.440 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000899254076 591746324 /nfs/dbraw/zinc/74/63/24/591746324.db2.gz NSBPZOSFIYBVNH-PSFFPDNBSA-N 2 2 342.443 1.154 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000899254076 591746326 /nfs/dbraw/zinc/74/63/26/591746326.db2.gz NSBPZOSFIYBVNH-PSFFPDNBSA-N 2 2 342.443 1.154 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000899254076 591746328 /nfs/dbraw/zinc/74/63/28/591746328.db2.gz NSBPZOSFIYBVNH-PSFFPDNBSA-N 2 2 342.443 1.154 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000899254076 591746331 /nfs/dbraw/zinc/74/63/31/591746331.db2.gz NSBPZOSFIYBVNH-PSFFPDNBSA-N 2 2 342.443 1.154 20 0 EDADLP C[NH+]1CCC([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897979214 591747915 /nfs/dbraw/zinc/74/79/15/591747915.db2.gz YFDRVBDKBIGMKX-GFCCVEGCSA-N 2 2 339.237 1.391 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000895463708 591766920 /nfs/dbraw/zinc/76/69/20/591766920.db2.gz BAMFASIJGOAGTP-ROUUACIJSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000895463708 591766923 /nfs/dbraw/zinc/76/69/23/591766923.db2.gz BAMFASIJGOAGTP-ROUUACIJSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000895463708 591766925 /nfs/dbraw/zinc/76/69/25/591766925.db2.gz BAMFASIJGOAGTP-ROUUACIJSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000895463708 591766928 /nfs/dbraw/zinc/76/69/28/591766928.db2.gz BAMFASIJGOAGTP-ROUUACIJSA-N 2 2 345.487 1.876 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000897217587 591772532 /nfs/dbraw/zinc/77/25/32/591772532.db2.gz FRFBJEVHGHDPSX-IUODEOHRSA-N 2 2 328.420 1.540 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000897217587 591772533 /nfs/dbraw/zinc/77/25/33/591772533.db2.gz FRFBJEVHGHDPSX-IUODEOHRSA-N 2 2 328.420 1.540 20 0 EDADLP C/C(=C/C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900013270 591863134 /nfs/dbraw/zinc/86/31/34/591863134.db2.gz INWZBGCHCMHFFL-VHUCWBOISA-N 2 2 349.450 1.823 20 0 EDADLP CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)C1 ZINC000898355976 591887331 /nfs/dbraw/zinc/88/73/31/591887331.db2.gz HEMHTOYVYHCLGR-DZGCQCFKSA-N 2 2 332.404 1.182 20 0 EDADLP C/C(=C\C(=O)NCC[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000900116621 591904797 /nfs/dbraw/zinc/90/47/97/591904797.db2.gz SQKWJNNJHORAFY-SAPNQHFASA-N 2 2 343.471 1.439 20 0 EDADLP C/C(=C\C(=O)NCC[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000900116621 591904800 /nfs/dbraw/zinc/90/48/00/591904800.db2.gz SQKWJNNJHORAFY-SAPNQHFASA-N 2 2 343.471 1.439 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CCC(C[NH+]3CCOCC3)CC1)C2=O ZINC000902058402 591910713 /nfs/dbraw/zinc/91/07/13/591910713.db2.gz MQCHVKYJMSPFLI-QFBILLFUSA-N 2 2 349.475 1.019 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)c[nH+]2)CC1 ZINC000900233733 591949973 /nfs/dbraw/zinc/94/99/73/591949973.db2.gz ZNVMJCHROAKONU-LPHOPBHVSA-N 2 2 346.475 1.389 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)c[nH+]2)CC1 ZINC000900233733 591949975 /nfs/dbraw/zinc/94/99/75/591949975.db2.gz ZNVMJCHROAKONU-LPHOPBHVSA-N 2 2 346.475 1.389 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000900247755 591958547 /nfs/dbraw/zinc/95/85/47/591958547.db2.gz WRTLEBINACVYRB-IBGZPJMESA-N 2 2 346.475 1.535 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000900247755 591958550 /nfs/dbraw/zinc/95/85/50/591958550.db2.gz WRTLEBINACVYRB-IBGZPJMESA-N 2 2 346.475 1.535 20 0 EDADLP Nc1ccc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000902326383 591979498 /nfs/dbraw/zinc/97/94/98/591979498.db2.gz WUDBZQZLQCUIOY-INIZCTEOSA-N 2 2 341.415 1.563 20 0 EDADLP Nc1ccc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000902326383 591979502 /nfs/dbraw/zinc/97/95/02/591979502.db2.gz WUDBZQZLQCUIOY-INIZCTEOSA-N 2 2 341.415 1.563 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902333479 591979976 /nfs/dbraw/zinc/97/99/76/591979976.db2.gz MNGQVRPSJMXKGX-ZACQAIPSSA-N 2 2 346.475 1.895 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902333479 591979979 /nfs/dbraw/zinc/97/99/79/591979979.db2.gz MNGQVRPSJMXKGX-ZACQAIPSSA-N 2 2 346.475 1.895 20 0 EDADLP CCC1([NH+]2CCC2)CC[NH+](Cc2c(CO)[nH]cc(OC)c2=O)CC1 ZINC000902374376 591982685 /nfs/dbraw/zinc/98/26/85/591982685.db2.gz KXUNAYOVTZJSAJ-UHFFFAOYSA-N 2 2 335.448 1.326 20 0 EDADLP CCn1c[nH+]c(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1 ZINC000902358063 591986218 /nfs/dbraw/zinc/98/62/18/591986218.db2.gz ACBMUOZXYVXPIA-QGZVFWFLSA-N 2 2 327.432 1.965 20 0 EDADLP CCn1c[nH+]c(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1 ZINC000902358063 591986220 /nfs/dbraw/zinc/98/62/20/591986220.db2.gz ACBMUOZXYVXPIA-QGZVFWFLSA-N 2 2 327.432 1.965 20 0 EDADLP C[N@@H+]1CCCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000899934799 591988024 /nfs/dbraw/zinc/98/80/24/591988024.db2.gz ICOIDQFXOQTBOS-UHFFFAOYSA-N 2 2 327.432 1.773 20 0 EDADLP C[N@H+]1CCCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000899934799 591988027 /nfs/dbraw/zinc/98/80/27/591988027.db2.gz ICOIDQFXOQTBOS-UHFFFAOYSA-N 2 2 327.432 1.773 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000900370641 591999214 /nfs/dbraw/zinc/99/92/14/591999214.db2.gz JTPQBTKKXQEFNT-SFHVURJKSA-N 2 2 346.406 1.474 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000900370641 591999216 /nfs/dbraw/zinc/99/92/16/591999216.db2.gz JTPQBTKKXQEFNT-SFHVURJKSA-N 2 2 346.406 1.474 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@@]([NH3+])(CO)C1 ZINC000900375470 592000901 /nfs/dbraw/zinc/00/09/01/592000901.db2.gz PCZFVLNEQLOYBT-SFHVURJKSA-N 2 2 329.400 1.702 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccnn2CC[NH+](C)C)c1C ZINC000900434254 592017094 /nfs/dbraw/zinc/01/70/94/592017094.db2.gz JGCWVYCJXOHUCK-UHFFFAOYSA-N 2 2 345.447 1.737 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000900445869 592029325 /nfs/dbraw/zinc/02/93/25/592029325.db2.gz HOXATGSGAFTSDA-GJZGRUSLSA-N 2 2 348.447 1.738 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000900445869 592029327 /nfs/dbraw/zinc/02/93/27/592029327.db2.gz HOXATGSGAFTSDA-GJZGRUSLSA-N 2 2 348.447 1.738 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCO1 ZINC000900487163 592031906 /nfs/dbraw/zinc/03/19/06/592031906.db2.gz XVNPSYWTYAFEEJ-CQSZACIVSA-N 2 2 330.432 1.741 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)C1CCC([NH+]2CCOCC2)CC1 ZINC000900517063 592043175 /nfs/dbraw/zinc/04/31/75/592043175.db2.gz SHQINKLOWXPXEP-UHFFFAOYSA-N 2 2 346.475 1.727 20 0 EDADLP C/C(=C\C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000900539654 592051216 /nfs/dbraw/zinc/05/12/16/592051216.db2.gz DRPVQMOUPVHYBL-UMADGWCESA-N 2 2 335.492 1.742 20 0 EDADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC2)CC1 ZINC000902782913 592061983 /nfs/dbraw/zinc/06/19/83/592061983.db2.gz SHPOXMZZEJLTOH-CENDIDJXSA-N 3 2 333.520 1.948 20 0 EDADLP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903061098 592111722 /nfs/dbraw/zinc/11/17/22/592111722.db2.gz AGZSDGFXJYGOIJ-PMACEKPBSA-N 2 2 345.487 1.736 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CCOC34CCCC4)CC2)nc1 ZINC000903066405 592112381 /nfs/dbraw/zinc/11/23/81/592112381.db2.gz MFZTWHHMVNFZGW-QGZVFWFLSA-N 2 2 345.491 1.680 20 0 EDADLP c1cc(C[NH2+][C@H]2CCO[C@]23CCOC3)cc(C[NH+]2CCOCC2)c1 ZINC000903072858 592119413 /nfs/dbraw/zinc/11/94/13/592119413.db2.gz LEFVFPGLUNFYRM-OALUTQOASA-N 2 2 332.444 1.556 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)c3ccnn3CC[NH+](C)C)ccc2n1C ZINC000900895492 592160186 /nfs/dbraw/zinc/16/01/86/592160186.db2.gz QFLMYAAZVQQKIG-UHFFFAOYSA-N 2 2 326.404 1.892 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000900949911 592174437 /nfs/dbraw/zinc/17/44/37/592174437.db2.gz TYUUAXZVNQPQRD-CYBMUJFWSA-N 2 2 334.420 1.361 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000900949911 592174438 /nfs/dbraw/zinc/17/44/38/592174438.db2.gz TYUUAXZVNQPQRD-CYBMUJFWSA-N 2 2 334.420 1.361 20 0 EDADLP CCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903470886 592175589 /nfs/dbraw/zinc/17/55/89/592175589.db2.gz PAURMICYINFXKB-QGZVFWFLSA-N 2 2 331.460 1.966 20 0 EDADLP CCON1CCC([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)CC1 ZINC000903478613 592176127 /nfs/dbraw/zinc/17/61/27/592176127.db2.gz HMRQUUXMUQDOAN-LBPRGKRZSA-N 2 2 343.269 1.966 20 0 EDADLP COCc1cccc(CNC(=O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903484957 592177716 /nfs/dbraw/zinc/17/77/16/592177716.db2.gz HBIGQQZDAKVYDE-KRWDZBQOSA-N 2 2 331.460 1.714 20 0 EDADLP Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)c(C)c1F ZINC000903519602 592195356 /nfs/dbraw/zinc/19/53/56/592195356.db2.gz GYCIGDFVUXNFFS-UHFFFAOYSA-N 2 2 343.468 1.452 20 0 EDADLP C[C@H]1C[N@H+](C[C@@]2(C)CCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000904346476 592235453 /nfs/dbraw/zinc/23/54/53/592235453.db2.gz VJYQSTVELGQHED-YOEHRIQHSA-N 2 2 329.452 1.025 20 0 EDADLP C[C@H]1C[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000904346476 592235456 /nfs/dbraw/zinc/23/54/56/592235456.db2.gz VJYQSTVELGQHED-YOEHRIQHSA-N 2 2 329.452 1.025 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000901116484 592238612 /nfs/dbraw/zinc/23/86/12/592238612.db2.gz DVCSXFHRRZJILW-OAHLLOKOSA-N 2 2 336.436 1.007 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000901116484 592238614 /nfs/dbraw/zinc/23/86/14/592238614.db2.gz DVCSXFHRRZJILW-OAHLLOKOSA-N 2 2 336.436 1.007 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)nc3F)C2)CC1 ZINC000906662455 592245278 /nfs/dbraw/zinc/24/52/78/592245278.db2.gz XTOGRYCKCSFYPV-NSHDSACASA-N 2 2 340.830 1.772 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Cl)nc3F)C2)CC1 ZINC000906662455 592245284 /nfs/dbraw/zinc/24/52/84/592245284.db2.gz XTOGRYCKCSFYPV-NSHDSACASA-N 2 2 340.830 1.772 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C[C@H]2[NH3+])c1 ZINC000904484339 592270644 /nfs/dbraw/zinc/27/06/44/592270644.db2.gz GGZAONXMELMMPN-BRSBDYLESA-N 3 2 325.460 1.640 20 0 EDADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000903717036 592279774 /nfs/dbraw/zinc/27/97/74/592279774.db2.gz XRFUUPKQGSQNBO-GOSISDBHSA-N 2 2 333.476 1.388 20 0 EDADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000903717036 592279776 /nfs/dbraw/zinc/27/97/76/592279776.db2.gz XRFUUPKQGSQNBO-GOSISDBHSA-N 2 2 333.476 1.388 20 0 EDADLP COc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903722878 592283670 /nfs/dbraw/zinc/28/36/70/592283670.db2.gz FAZMJVHNOPDUGD-MRXNPFEDSA-N 2 2 331.460 1.843 20 0 EDADLP COc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903724500 592284209 /nfs/dbraw/zinc/28/42/09/592284209.db2.gz OBHWFUWJGHZZJO-MRXNPFEDSA-N 2 2 331.460 1.843 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc([C@]45C[C@H]4CCC[NH2+]5)n3)cn2)CC1 ZINC000904659978 592307730 /nfs/dbraw/zinc/30/77/30/592307730.db2.gz RHNYQQVVLCKVGT-KDOFPFPSSA-N 2 2 340.431 1.482 20 0 EDADLP [NH3+][C@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1)C(F)F ZINC000904674406 592310231 /nfs/dbraw/zinc/31/02/31/592310231.db2.gz UEGADTLLWODTAD-OLZOCXBDSA-N 2 2 338.358 1.778 20 0 EDADLP [NH3+][C@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)C(F)F ZINC000904674406 592310236 /nfs/dbraw/zinc/31/02/36/592310236.db2.gz UEGADTLLWODTAD-OLZOCXBDSA-N 2 2 338.358 1.778 20 0 EDADLP Cc1cc(=O)oc2cc(OCC[N@@H+](C)C3(C[NH3+])CCOCC3)ccc12 ZINC000903810078 592331216 /nfs/dbraw/zinc/33/12/16/592331216.db2.gz VGHKDWZYDCGUIJ-UHFFFAOYSA-N 2 2 346.427 1.920 20 0 EDADLP Cc1cc(=O)oc2cc(OCC[N@H+](C)C3(C[NH3+])CCOCC3)ccc12 ZINC000903810078 592331222 /nfs/dbraw/zinc/33/12/22/592331222.db2.gz VGHKDWZYDCGUIJ-UHFFFAOYSA-N 2 2 346.427 1.920 20 0 EDADLP COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903863169 592349458 /nfs/dbraw/zinc/34/94/58/592349458.db2.gz JRDSDKSAKNNJQH-HBUWYVDXSA-N 2 2 336.432 1.257 20 0 EDADLP COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903863169 592349463 /nfs/dbraw/zinc/34/94/63/592349463.db2.gz JRDSDKSAKNNJQH-HBUWYVDXSA-N 2 2 336.432 1.257 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cnn1C ZINC000903897775 592367661 /nfs/dbraw/zinc/36/76/61/592367661.db2.gz GDPNFPCKQVPBCF-UONOGXRCSA-N 2 2 347.429 1.414 20 0 EDADLP O[C@@H](C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1)C(F)(F)F ZINC000903896335 592367881 /nfs/dbraw/zinc/36/78/81/592367881.db2.gz BCRXQOQNDNBWDP-OCCSQVGLSA-N 2 2 347.385 1.338 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1CC(F)F ZINC000903898768 592368433 /nfs/dbraw/zinc/36/84/33/592368433.db2.gz PUJSRFQOOOLNSF-ZIAGYGMSSA-N 2 2 342.438 1.364 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1CC(F)F ZINC000903898768 592368438 /nfs/dbraw/zinc/36/84/38/592368438.db2.gz PUJSRFQOOOLNSF-ZIAGYGMSSA-N 2 2 342.438 1.364 20 0 EDADLP Cc1nn(C)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1Br ZINC000903958367 592390631 /nfs/dbraw/zinc/39/06/31/592390631.db2.gz YXXJTXGHNQAGTJ-SECBINFHSA-N 2 2 337.212 1.825 20 0 EDADLP c1nc(N2CCCC2)ncc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973424 592397480 /nfs/dbraw/zinc/39/74/80/592397480.db2.gz CUWOAMYCGOQSPR-INIZCTEOSA-N 2 2 331.464 1.325 20 0 EDADLP c1nc(N2CCCC2)ncc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973425 592397832 /nfs/dbraw/zinc/39/78/32/592397832.db2.gz CUWOAMYCGOQSPR-MRXNPFEDSA-N 2 2 331.464 1.325 20 0 EDADLP [NH3+]CCCn1ccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)n1 ZINC000904099179 592424957 /nfs/dbraw/zinc/42/49/57/592424957.db2.gz LPQXCEYYUBUMKZ-OCCSQVGLSA-N 2 2 332.408 1.208 20 0 EDADLP [NH3+]CCCn1ccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)n1 ZINC000904099179 592424960 /nfs/dbraw/zinc/42/49/60/592424960.db2.gz LPQXCEYYUBUMKZ-OCCSQVGLSA-N 2 2 332.408 1.208 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000908414345 592486619 /nfs/dbraw/zinc/48/66/19/592486619.db2.gz OPWNMUOPDFYCFT-PXAZEXFGSA-N 2 2 348.834 1.597 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000908414345 592486622 /nfs/dbraw/zinc/48/66/22/592486622.db2.gz OPWNMUOPDFYCFT-PXAZEXFGSA-N 2 2 348.834 1.597 20 0 EDADLP CC[C@](O)(C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000905344480 592500837 /nfs/dbraw/zinc/50/08/37/592500837.db2.gz JGPNRDWLFXYIEN-CVEARBPZSA-N 2 2 346.393 1.699 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2coc(C[NH+]3CC[C@H](OC)C3)n2)C[C@H]1C ZINC000907125784 592521960 /nfs/dbraw/zinc/52/19/60/592521960.db2.gz ZYAYNLGUSXKRFD-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2coc(C[NH+]3CC[C@H](OC)C3)n2)C[C@H]1C ZINC000907125784 592521964 /nfs/dbraw/zinc/52/19/64/592521964.db2.gz ZYAYNLGUSXKRFD-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CC[NH+]1CCN(C(=O)c2coc(C[N@@H+]3CC[C@H](OC)C3)n2)C[C@H]1C ZINC000907125784 592521967 /nfs/dbraw/zinc/52/19/67/592521967.db2.gz ZYAYNLGUSXKRFD-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CC[NH+]1CCN(C(=O)c2coc(C[N@H+]3CC[C@H](OC)C3)n2)C[C@H]1C ZINC000907125784 592521970 /nfs/dbraw/zinc/52/19/70/592521970.db2.gz ZYAYNLGUSXKRFD-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)CC1CCCC1 ZINC000905447087 592528285 /nfs/dbraw/zinc/52/82/85/592528285.db2.gz NYUFSAKEGMDSDO-MOPGFXCFSA-N 2 2 339.524 1.314 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000905540979 592557130 /nfs/dbraw/zinc/55/71/30/592557130.db2.gz MHRLLXYFIOBGRU-UNEWFSDZSA-N 2 2 336.432 1.285 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000905540979 592557132 /nfs/dbraw/zinc/55/71/32/592557132.db2.gz MHRLLXYFIOBGRU-UNEWFSDZSA-N 2 2 336.432 1.285 20 0 EDADLP CCN1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1=O ZINC000905548991 592572234 /nfs/dbraw/zinc/57/22/34/592572234.db2.gz DSFPHVMWFNQJMR-MSOLQXFVSA-N 2 2 331.460 1.006 20 0 EDADLP O=C(C[NH2+]C[C@H](O)C[NH+]1CCCC1)N1CCCCc2ccccc21 ZINC000905609525 592578080 /nfs/dbraw/zinc/57/80/80/592578080.db2.gz OWUQDVIIDDBQMR-KRWDZBQOSA-N 2 2 331.460 1.402 20 0 EDADLP O[C@H](C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1 ZINC000905620182 592588287 /nfs/dbraw/zinc/58/82/87/592588287.db2.gz QEIFHRNJFVDXRB-GBESFXJTSA-N 2 2 334.460 1.314 20 0 EDADLP O[C@H](C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)c1ccccc1 ZINC000905620182 592588289 /nfs/dbraw/zinc/58/82/89/592588289.db2.gz QEIFHRNJFVDXRB-GBESFXJTSA-N 2 2 334.460 1.314 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](O)c3ccnn3C)c2cc1C ZINC000905624610 592589424 /nfs/dbraw/zinc/58/94/24/592589424.db2.gz HYOACFHDEXXRCK-KDOFPFPSSA-N 2 2 343.431 1.071 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N[C@H]2C[NH2+]CC3(CCOCC3)C2)nc[nH+]1 ZINC000905690741 592605638 /nfs/dbraw/zinc/60/56/38/592605638.db2.gz SAQFYLPHJUWQKW-CABCVRRESA-N 2 2 347.463 1.008 20 0 EDADLP COc1nn(C)cc1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000905678275 592609512 /nfs/dbraw/zinc/60/95/12/592609512.db2.gz KBXRCOWGSBWKPU-HNNXBMFYSA-N 2 2 343.431 1.546 20 0 EDADLP Nc1nc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c2c([nH+]1)CCCC2 ZINC000905700325 592613983 /nfs/dbraw/zinc/61/39/83/592613983.db2.gz FTBNUYZKGBETSB-GASCZTMLSA-N 3 2 342.491 1.343 20 0 EDADLP Nc1nc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c2c([nH+]1)CCCC2 ZINC000905700325 592613985 /nfs/dbraw/zinc/61/39/85/592613985.db2.gz FTBNUYZKGBETSB-GASCZTMLSA-N 3 2 342.491 1.343 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907566674 592712740 /nfs/dbraw/zinc/71/27/40/592712740.db2.gz HBSDJXNSYITQQO-ZDUSSCGKSA-N 2 2 333.461 1.698 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000907566674 592712743 /nfs/dbraw/zinc/71/27/43/592712743.db2.gz HBSDJXNSYITQQO-ZDUSSCGKSA-N 2 2 333.461 1.698 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC2CC2)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000907579642 592720080 /nfs/dbraw/zinc/72/00/80/592720080.db2.gz ZLLBMSFYXMCSJT-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N(CC2CC2)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000907579642 592720082 /nfs/dbraw/zinc/72/00/82/592720082.db2.gz ZLLBMSFYXMCSJT-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000907579642 592720085 /nfs/dbraw/zinc/72/00/85/592720085.db2.gz ZLLBMSFYXMCSJT-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000907579642 592720088 /nfs/dbraw/zinc/72/00/88/592720088.db2.gz ZLLBMSFYXMCSJT-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)c2[nH+]ccn21 ZINC000909213481 592771944 /nfs/dbraw/zinc/77/19/44/592771944.db2.gz AZGXLCMOJMJEPC-PRLABOORSA-N 2 2 332.448 1.896 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000907835219 592810217 /nfs/dbraw/zinc/81/02/17/592810217.db2.gz DOBQCOOYYVNGJR-OAHLLOKOSA-N 2 2 329.404 1.133 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000910862542 592897761 /nfs/dbraw/zinc/89/77/61/592897761.db2.gz VRYXIDQDZVHCRZ-QGZVFWFLSA-N 2 2 348.491 1.387 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000910862542 592897762 /nfs/dbraw/zinc/89/77/62/592897762.db2.gz VRYXIDQDZVHCRZ-QGZVFWFLSA-N 2 2 348.491 1.387 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000910874185 592899145 /nfs/dbraw/zinc/89/91/45/592899145.db2.gz QLXRYIVNYOGRAP-MRXNPFEDSA-N 2 2 348.491 1.456 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000910874185 592899146 /nfs/dbraw/zinc/89/91/46/592899146.db2.gz QLXRYIVNYOGRAP-MRXNPFEDSA-N 2 2 348.491 1.456 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000910874185 592899147 /nfs/dbraw/zinc/89/91/47/592899147.db2.gz QLXRYIVNYOGRAP-MRXNPFEDSA-N 2 2 348.491 1.456 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000910874185 592899148 /nfs/dbraw/zinc/89/91/48/592899148.db2.gz QLXRYIVNYOGRAP-MRXNPFEDSA-N 2 2 348.491 1.456 20 0 EDADLP C[C@H]([NH3+])C1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCOCC1 ZINC000911641773 592964586 /nfs/dbraw/zinc/96/45/86/592964586.db2.gz IHRIMKYFXUAPBE-AWEZNQCLSA-N 2 2 332.448 1.442 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000911664749 592973115 /nfs/dbraw/zinc/97/31/15/592973115.db2.gz MVRJTOFOIYTAQO-OIISXLGYSA-N 2 2 349.475 1.701 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1OC)[N@H+]1CCO[C@H](CC)C1 ZINC000911664749 592973118 /nfs/dbraw/zinc/97/31/18/592973118.db2.gz MVRJTOFOIYTAQO-OIISXLGYSA-N 2 2 349.475 1.701 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000911735551 592992904 /nfs/dbraw/zinc/99/29/04/592992904.db2.gz LEHZIXHLDLZOMX-UHFFFAOYSA-N 2 2 328.372 1.500 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc(C)[nH+]1 ZINC000911313573 592997241 /nfs/dbraw/zinc/99/72/41/592997241.db2.gz GGYVGVFJUYDLFL-QAPCUYQASA-N 2 2 330.432 1.045 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000912388117 593091885 /nfs/dbraw/zinc/09/18/85/593091885.db2.gz VYOOLYZVERWAQZ-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000912388117 593091886 /nfs/dbraw/zinc/09/18/86/593091886.db2.gz VYOOLYZVERWAQZ-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CC1=C(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)SCCO1 ZINC000806843050 593120108 /nfs/dbraw/zinc/12/01/08/593120108.db2.gz COJLCVYDKMDLDP-CYBMUJFWSA-N 2 2 325.478 1.266 20 0 EDADLP CC1=C(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)SCCO1 ZINC000806843050 593120109 /nfs/dbraw/zinc/12/01/09/593120109.db2.gz COJLCVYDKMDLDP-CYBMUJFWSA-N 2 2 325.478 1.266 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C(=O)[C@]12CCCO2 ZINC000840088224 593158024 /nfs/dbraw/zinc/15/80/24/593158024.db2.gz NXTPCZZVQVYHFD-WDSOQIARSA-N 2 2 335.492 1.778 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C(=O)[C@]12CCCO2 ZINC000840088224 593158025 /nfs/dbraw/zinc/15/80/25/593158025.db2.gz NXTPCZZVQVYHFD-WDSOQIARSA-N 2 2 335.492 1.778 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C(=O)[C@]12CCCO2 ZINC000840088224 593158027 /nfs/dbraw/zinc/15/80/27/593158027.db2.gz NXTPCZZVQVYHFD-WDSOQIARSA-N 2 2 335.492 1.778 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C(=O)[C@]12CCCO2 ZINC000840088224 593158028 /nfs/dbraw/zinc/15/80/28/593158028.db2.gz NXTPCZZVQVYHFD-WDSOQIARSA-N 2 2 335.492 1.778 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C[C@@H]1Cc1ccccc1 ZINC000838633856 593199105 /nfs/dbraw/zinc/19/91/05/593199105.db2.gz MMNDZTQTMWIKJM-DLBZAZTESA-N 2 2 339.443 1.896 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C[C@@H]1Cc1ccccc1 ZINC000838633856 593199106 /nfs/dbraw/zinc/19/91/06/593199106.db2.gz MMNDZTQTMWIKJM-DLBZAZTESA-N 2 2 339.443 1.896 20 0 EDADLP C[C@@]12C(=O)N(C[NH+]3CCC(n4cc[nH+]c4)CC3)C(=O)[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000840003552 593335142 /nfs/dbraw/zinc/33/51/42/593335142.db2.gz MTVOUQRKDBUDLY-DFHZNHDVSA-N 2 2 342.443 1.899 20 0 EDADLP CC(C)n1ncc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1N ZINC000758346086 593401314 /nfs/dbraw/zinc/40/13/14/593401314.db2.gz LMZINLHMVXEPHF-HNNXBMFYSA-N 2 2 348.495 1.287 20 0 EDADLP CC(C)n1ncc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1N ZINC000758346086 593401315 /nfs/dbraw/zinc/40/13/15/593401315.db2.gz LMZINLHMVXEPHF-HNNXBMFYSA-N 2 2 348.495 1.287 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)C1 ZINC000811776751 593481422 /nfs/dbraw/zinc/48/14/22/593481422.db2.gz GDEXIYMPUBSQOX-KMFMINBZSA-N 2 2 332.448 1.583 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)C1 ZINC000811776751 593481423 /nfs/dbraw/zinc/48/14/23/593481423.db2.gz GDEXIYMPUBSQOX-KMFMINBZSA-N 2 2 332.448 1.583 20 0 EDADLP CN(C(=O)NOC/C=C\Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000812705637 593507624 /nfs/dbraw/zinc/50/76/24/593507624.db2.gz CSUARZXOOKMTDK-NMNMAYGDSA-N 2 2 330.860 1.480 20 0 EDADLP CN(C(=O)NOC/C=C\Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000812705637 593507625 /nfs/dbraw/zinc/50/76/25/593507625.db2.gz CSUARZXOOKMTDK-NMNMAYGDSA-N 2 2 330.860 1.480 20 0 EDADLP C[C@H](C[NH2+][C@H](C)c1cnnn1-c1ccccc1)C[NH+]1CCOCC1 ZINC000813325853 593526471 /nfs/dbraw/zinc/52/64/71/593526471.db2.gz LUHZOKNUWXJKGO-HZPDHXFCSA-N 2 2 329.448 1.886 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(Cl)nc(N)n3)CC2)CC1 ZINC000817125286 593573120 /nfs/dbraw/zinc/57/31/20/593573120.db2.gz OJDTUUMNSBPDRV-UHFFFAOYSA-N 2 2 338.887 1.709 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(Cl)nc(N)n3)CC2)CC1 ZINC000817125286 593573121 /nfs/dbraw/zinc/57/31/21/593573121.db2.gz OJDTUUMNSBPDRV-UHFFFAOYSA-N 2 2 338.887 1.709 20 0 EDADLP COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000817274077 593587016 /nfs/dbraw/zinc/58/70/16/593587016.db2.gz ATQYCDHBZWWSAJ-SFHVURJKSA-N 2 2 336.407 1.606 20 0 EDADLP COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000817274077 593587018 /nfs/dbraw/zinc/58/70/18/593587018.db2.gz ATQYCDHBZWWSAJ-SFHVURJKSA-N 2 2 336.407 1.606 20 0 EDADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000817276366 593587866 /nfs/dbraw/zinc/58/78/66/593587866.db2.gz BDLFKCBVCBPEQA-PIIMJCKOSA-N 2 2 330.428 1.370 20 0 EDADLP COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000817276366 593587868 /nfs/dbraw/zinc/58/78/68/593587868.db2.gz BDLFKCBVCBPEQA-PIIMJCKOSA-N 2 2 330.428 1.370 20 0 EDADLP Cn1ncc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1Cl ZINC000815122571 593616503 /nfs/dbraw/zinc/61/65/03/593616503.db2.gz YQJYYNZHRPNOSM-UHFFFAOYSA-N 2 2 349.866 1.655 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000817929644 593649878 /nfs/dbraw/zinc/64/98/78/593649878.db2.gz JNLJJKROGFZXCR-RDJZCZTQSA-N 2 2 340.489 1.001 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000818174731 593677007 /nfs/dbraw/zinc/67/70/07/593677007.db2.gz LKEZECAGUKNDMK-OWCLPIDISA-N 2 2 339.480 1.384 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000818174731 593677008 /nfs/dbraw/zinc/67/70/08/593677008.db2.gz LKEZECAGUKNDMK-OWCLPIDISA-N 2 2 339.480 1.384 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000818986196 593732333 /nfs/dbraw/zinc/73/23/33/593732333.db2.gz IALCQLWOHBELRX-SCTDSRPQSA-N 2 2 348.443 1.082 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000818986196 593732334 /nfs/dbraw/zinc/73/23/34/593732334.db2.gz IALCQLWOHBELRX-SCTDSRPQSA-N 2 2 348.443 1.082 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3COC(C)(C)O3)c2cc1C ZINC000819155666 593741838 /nfs/dbraw/zinc/74/18/38/593741838.db2.gz OUADBPVPJQCKGF-HUUCEWRRSA-N 2 2 333.432 1.755 20 0 EDADLP Cc1ccc2n[nH]cc2c1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000820609508 593843878 /nfs/dbraw/zinc/84/38/78/593843878.db2.gz UHDGTIRLCYIFGM-UHFFFAOYSA-N 2 2 329.448 1.627 20 0 EDADLP c1cn(-c2ncccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c[nH+]1 ZINC000823809498 593864563 /nfs/dbraw/zinc/86/45/63/593864563.db2.gz MWNJOKGQCTYZIY-UHFFFAOYSA-N 2 2 338.400 1.799 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000824161736 593941954 /nfs/dbraw/zinc/94/19/54/593941954.db2.gz PNNSLECLABKLGD-UHFFFAOYSA-N 2 2 334.512 1.456 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822159286 594001451 /nfs/dbraw/zinc/00/14/51/594001451.db2.gz MSKBGRQJNDFHNO-OAHLLOKOSA-N 2 2 335.448 1.404 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822159286 594001452 /nfs/dbraw/zinc/00/14/52/594001452.db2.gz MSKBGRQJNDFHNO-OAHLLOKOSA-N 2 2 335.448 1.404 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824698517 594058592 /nfs/dbraw/zinc/05/85/92/594058592.db2.gz LXLUARKKTKGHBI-LLVKDONJSA-N 2 2 336.465 1.205 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824698517 594058593 /nfs/dbraw/zinc/05/85/93/594058593.db2.gz LXLUARKKTKGHBI-LLVKDONJSA-N 2 2 336.465 1.205 20 0 EDADLP CC(C)(C)[NH2+]CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000824800657 594076891 /nfs/dbraw/zinc/07/68/91/594076891.db2.gz RKPHXPZWHUUZBI-MSOLQXFVSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)(C)[NH2+]CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000824800657 594076893 /nfs/dbraw/zinc/07/68/93/594076893.db2.gz RKPHXPZWHUUZBI-MSOLQXFVSA-N 2 2 345.487 1.876 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CC(=O)Nc2ccccc21 ZINC000824958452 594105545 /nfs/dbraw/zinc/10/55/45/594105545.db2.gz YYERRIDJYYAMCL-HNNXBMFYSA-N 2 2 346.475 1.502 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CC(=O)Nc2ccccc21 ZINC000824958452 594105548 /nfs/dbraw/zinc/10/55/48/594105548.db2.gz YYERRIDJYYAMCL-HNNXBMFYSA-N 2 2 346.475 1.502 20 0 EDADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000826051516 594318314 /nfs/dbraw/zinc/31/83/14/594318314.db2.gz DSOKZGUHVFAMRT-UONOGXRCSA-N 2 2 327.350 1.697 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826159721 594354886 /nfs/dbraw/zinc/35/48/86/594354886.db2.gz PJNAHKRFGMZNQN-XJKSGUPXSA-N 2 2 330.436 1.628 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826159721 594354887 /nfs/dbraw/zinc/35/48/87/594354887.db2.gz PJNAHKRFGMZNQN-XJKSGUPXSA-N 2 2 330.436 1.628 20 0 EDADLP Cc1cc[nH+]c(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826313902 594420702 /nfs/dbraw/zinc/42/07/02/594420702.db2.gz XVSDYOBAXXIIOI-STQMWFEESA-N 2 2 331.424 1.481 20 0 EDADLP Cn1cc(C[NH2+]CCn2cc[nH+]c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361701 594444366 /nfs/dbraw/zinc/44/43/66/594444366.db2.gz KAMADSPFQHYEKV-UHFFFAOYSA-N 2 2 349.402 1.254 20 0 EDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000826513520 594512665 /nfs/dbraw/zinc/51/26/65/594512665.db2.gz NNZONTVPFOEOIT-QGZVFWFLSA-N 2 2 342.447 1.600 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000826588709 594533546 /nfs/dbraw/zinc/53/35/46/594533546.db2.gz AKVCTXJMJSRDON-RBUKOAKNSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000826588709 594533548 /nfs/dbraw/zinc/53/35/48/594533548.db2.gz AKVCTXJMJSRDON-RBUKOAKNSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC000826588709 594533550 /nfs/dbraw/zinc/53/35/50/594533550.db2.gz AKVCTXJMJSRDON-RBUKOAKNSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC000826588709 594533552 /nfs/dbraw/zinc/53/35/52/594533552.db2.gz AKVCTXJMJSRDON-RBUKOAKNSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000826590083 594534009 /nfs/dbraw/zinc/53/40/09/594534009.db2.gz OQLYDCIGBRAYNR-QZTJIDSGSA-N 2 2 331.460 1.264 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000826590083 594534011 /nfs/dbraw/zinc/53/40/11/594534011.db2.gz OQLYDCIGBRAYNR-QZTJIDSGSA-N 2 2 331.460 1.264 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC000826590083 594534012 /nfs/dbraw/zinc/53/40/12/594534012.db2.gz OQLYDCIGBRAYNR-QZTJIDSGSA-N 2 2 331.460 1.264 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC000826590083 594534014 /nfs/dbraw/zinc/53/40/14/594534014.db2.gz OQLYDCIGBRAYNR-QZTJIDSGSA-N 2 2 331.460 1.264 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccc(C)cc2)CCO1)C1CC1 ZINC000826596555 594535604 /nfs/dbraw/zinc/53/56/04/594535604.db2.gz CPBDTBDOIQVKBK-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccc(C)cc2)CCO1)C1CC1 ZINC000826596555 594535606 /nfs/dbraw/zinc/53/56/06/594535606.db2.gz CPBDTBDOIQVKBK-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)C1CC1 ZINC000826596555 594535608 /nfs/dbraw/zinc/53/56/08/594535608.db2.gz CPBDTBDOIQVKBK-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)C1CC1 ZINC000826596555 594535609 /nfs/dbraw/zinc/53/56/09/594535609.db2.gz CPBDTBDOIQVKBK-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP [NH3+]CCCCCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000831094952 594555172 /nfs/dbraw/zinc/55/51/72/594555172.db2.gz SEGQPTNYWZDFJC-GOSISDBHSA-N 2 2 348.491 1.706 20 0 EDADLP [NH3+]CCCCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000831094952 594555174 /nfs/dbraw/zinc/55/51/74/594555174.db2.gz SEGQPTNYWZDFJC-GOSISDBHSA-N 2 2 348.491 1.706 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000829247826 594587808 /nfs/dbraw/zinc/58/78/08/594587808.db2.gz UEFWSYKNTCPBAD-HNNXBMFYSA-N 2 2 332.448 1.016 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1(C)C ZINC000831392056 594621764 /nfs/dbraw/zinc/62/17/64/594621764.db2.gz FLRCMPDJJZCXBJ-BMGDILEWSA-N 2 2 349.475 1.573 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]([NH3+])C3CC3)c[nH+]2)C[C@@H](C)O1 ZINC000827086328 594637310 /nfs/dbraw/zinc/63/73/10/594637310.db2.gz LDIUEKIPEVONQY-IOASZLSFSA-N 2 2 332.448 1.439 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)CC[C@H]21 ZINC000827234824 594655352 /nfs/dbraw/zinc/65/53/52/594655352.db2.gz YUOBCAVBYPNTBK-UPJWGTAASA-N 2 2 330.354 1.929 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)CC[C@H]21 ZINC000827234824 594655353 /nfs/dbraw/zinc/65/53/53/594655353.db2.gz YUOBCAVBYPNTBK-UPJWGTAASA-N 2 2 330.354 1.929 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)C[C@H]21 ZINC000841672623 594933504 /nfs/dbraw/zinc/93/35/04/594933504.db2.gz KYTHDDPLBKUATB-ARFHVFGLSA-N 2 2 340.431 1.536 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000841671262 594933657 /nfs/dbraw/zinc/93/36/57/594933657.db2.gz XQHOQPAKPIAKIL-IUODEOHRSA-N 2 2 331.420 1.555 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])c1[nH+]ccn1C ZINC000841671277 594933695 /nfs/dbraw/zinc/93/36/95/594933695.db2.gz XXMCPWJBONUGER-ZOWXZIJZSA-N 2 2 331.420 1.553 20 0 EDADLP O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000841673052 594934065 /nfs/dbraw/zinc/93/40/65/594934065.db2.gz WOSCDVOSJCCXRS-HNNXBMFYSA-N 2 2 328.420 1.599 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CCC4(C3)CC[NH2+]CC4)cn21 ZINC000841874440 594971148 /nfs/dbraw/zinc/97/11/48/594971148.db2.gz MIFUKDOVYGVIQB-UHFFFAOYSA-N 2 2 327.432 1.928 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)NCC3([NH3+])CCC3)CC2)S1 ZINC000841967192 594991525 /nfs/dbraw/zinc/99/15/25/594991525.db2.gz PAICRBQVNWFWNS-UHFFFAOYSA-N 2 2 325.482 1.076 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843354600 595084291 /nfs/dbraw/zinc/08/42/91/595084291.db2.gz LOOXLZJMGAEVAI-DGCLKSJQSA-N 2 2 333.436 1.901 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843354600 595084294 /nfs/dbraw/zinc/08/42/94/595084294.db2.gz LOOXLZJMGAEVAI-DGCLKSJQSA-N 2 2 333.436 1.901 20 0 EDADLP C/C(=C\C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1OC(F)F ZINC000834299472 595085655 /nfs/dbraw/zinc/08/56/55/595085655.db2.gz QVRWGUGKKABTKZ-SRXBQZRASA-N 2 2 339.386 1.793 20 0 EDADLP C/C(=C\C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1OC(F)F ZINC000834299472 595085658 /nfs/dbraw/zinc/08/56/58/595085658.db2.gz QVRWGUGKKABTKZ-SRXBQZRASA-N 2 2 339.386 1.793 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000843432098 595109198 /nfs/dbraw/zinc/10/91/98/595109198.db2.gz QMCFGPWBCRLSIO-UHFFFAOYSA-N 2 2 326.872 1.933 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000843432098 595109201 /nfs/dbraw/zinc/10/92/01/595109201.db2.gz QMCFGPWBCRLSIO-UHFFFAOYSA-N 2 2 326.872 1.933 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)C[C@](C)(O)c2ccccc2)C1 ZINC000842624776 595148217 /nfs/dbraw/zinc/14/82/17/595148217.db2.gz KMDNCTIMWXFTLD-KXBFYZLASA-N 2 2 342.443 1.533 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)C[C@](C)(O)c2ccccc2)C1 ZINC000842624776 595148219 /nfs/dbraw/zinc/14/82/19/595148219.db2.gz KMDNCTIMWXFTLD-KXBFYZLASA-N 2 2 342.443 1.533 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC000846124282 595150200 /nfs/dbraw/zinc/15/02/00/595150200.db2.gz NZWASORFSAPRFQ-INIZCTEOSA-N 2 2 348.491 1.423 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000843108299 595288707 /nfs/dbraw/zinc/28/87/07/595288707.db2.gz NRAVUCFHMGCBEO-WOJBJXKFSA-N 2 2 344.430 1.868 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000843108299 595288708 /nfs/dbraw/zinc/28/87/08/595288708.db2.gz NRAVUCFHMGCBEO-WOJBJXKFSA-N 2 2 344.430 1.868 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCC(F)(F)F ZINC000846669406 595297270 /nfs/dbraw/zinc/29/72/70/595297270.db2.gz ZKWWVAZKJPDSAZ-NSHDSACASA-N 2 2 346.353 1.196 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844219648 595305408 /nfs/dbraw/zinc/30/54/08/595305408.db2.gz NLKIGZXGOMIZHW-HNNXBMFYSA-N 2 2 332.448 1.003 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844219648 595305409 /nfs/dbraw/zinc/30/54/09/595305409.db2.gz NLKIGZXGOMIZHW-HNNXBMFYSA-N 2 2 332.448 1.003 20 0 EDADLP O=C1N[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000844226603 595309675 /nfs/dbraw/zinc/30/96/75/595309675.db2.gz PAJNQWSZLHJDQA-HUUCEWRRSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000844226603 595309676 /nfs/dbraw/zinc/30/96/76/595309676.db2.gz PAJNQWSZLHJDQA-HUUCEWRRSA-N 2 2 349.866 1.455 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000846820263 595321573 /nfs/dbraw/zinc/32/15/73/595321573.db2.gz IPKCJCZPICURDV-FHWLQOOXSA-N 2 2 336.476 1.514 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000846820263 595321575 /nfs/dbraw/zinc/32/15/75/595321575.db2.gz IPKCJCZPICURDV-FHWLQOOXSA-N 2 2 336.476 1.514 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000846820263 595321579 /nfs/dbraw/zinc/32/15/79/595321579.db2.gz IPKCJCZPICURDV-FHWLQOOXSA-N 2 2 336.476 1.514 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000846820263 595321580 /nfs/dbraw/zinc/32/15/80/595321580.db2.gz IPKCJCZPICURDV-FHWLQOOXSA-N 2 2 336.476 1.514 20 0 EDADLP Cn1c[nH+]c(CCNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000849116530 595484469 /nfs/dbraw/zinc/48/44/69/595484469.db2.gz RYXSHJYVXBBTBS-UHFFFAOYSA-N 2 2 330.411 1.448 20 0 EDADLP COc1ccc(CCNC(=[NH2+])NCCc2cn(C)c[nH+]2)cc1OC ZINC000849115977 595484576 /nfs/dbraw/zinc/48/45/76/595484576.db2.gz GAEWMDLKROZIDU-UHFFFAOYSA-N 2 2 331.420 1.336 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000850518166 595527201 /nfs/dbraw/zinc/52/72/01/595527201.db2.gz MMVCELYNGKPKKE-SRVKXCTJSA-N 2 2 328.400 1.426 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000850518166 595527203 /nfs/dbraw/zinc/52/72/03/595527203.db2.gz MMVCELYNGKPKKE-SRVKXCTJSA-N 2 2 328.400 1.426 20 0 EDADLP c1n[nH]c2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000857851295 595632773 /nfs/dbraw/zinc/63/27/73/595632773.db2.gz LZNMDZFCXLHBRF-SFHVURJKSA-N 3 2 340.475 1.984 20 0 EDADLP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850119303 595744432 /nfs/dbraw/zinc/74/44/32/595744432.db2.gz NDPBUYSRSSCCSO-BHIYHBOVSA-N 2 2 332.444 1.807 20 0 EDADLP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000850119303 595744433 /nfs/dbraw/zinc/74/44/33/595744433.db2.gz NDPBUYSRSSCCSO-BHIYHBOVSA-N 2 2 332.444 1.807 20 0 EDADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858548930 595825239 /nfs/dbraw/zinc/82/52/39/595825239.db2.gz REOAMEVIYCPAPM-VXGBXAGGSA-N 2 2 326.828 1.108 20 0 EDADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858548930 595825242 /nfs/dbraw/zinc/82/52/42/595825242.db2.gz REOAMEVIYCPAPM-VXGBXAGGSA-N 2 2 326.828 1.108 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(N(C)C)[nH+]1 ZINC000850507101 595846824 /nfs/dbraw/zinc/84/68/24/595846824.db2.gz MPYXIKZWNHPSCS-ZDUSSCGKSA-N 2 2 347.463 1.384 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(N(C)C)[nH+]1 ZINC000850507101 595846827 /nfs/dbraw/zinc/84/68/27/595846827.db2.gz MPYXIKZWNHPSCS-ZDUSSCGKSA-N 2 2 347.463 1.384 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795370 595926192 /nfs/dbraw/zinc/92/61/92/595926192.db2.gz XTTLRNKATSRNGS-GJZGRUSLSA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795370 595926194 /nfs/dbraw/zinc/92/61/94/595926194.db2.gz XTTLRNKATSRNGS-GJZGRUSLSA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795370 595926196 /nfs/dbraw/zinc/92/61/96/595926196.db2.gz XTTLRNKATSRNGS-GJZGRUSLSA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795370 595926198 /nfs/dbraw/zinc/92/61/98/595926198.db2.gz XTTLRNKATSRNGS-GJZGRUSLSA-N 2 2 329.485 1.629 20 0 EDADLP Cn1cc(-c2cc3c(nn2)CC[N@H+](CC[C@@H]2CCC[NH+]2C)C3)cn1 ZINC000854128634 595983631 /nfs/dbraw/zinc/98/36/31/595983631.db2.gz NZYXVYOICCQDQE-INIZCTEOSA-N 2 2 326.448 1.720 20 0 EDADLP Cn1cc(-c2cc3c(nn2)CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C3)cn1 ZINC000854128634 595983636 /nfs/dbraw/zinc/98/36/36/595983636.db2.gz NZYXVYOICCQDQE-INIZCTEOSA-N 2 2 326.448 1.720 20 0 EDADLP Cn1cc(-c2cc3c(nn2)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C3)cn1 ZINC000854128634 595983639 /nfs/dbraw/zinc/98/36/39/595983639.db2.gz NZYXVYOICCQDQE-INIZCTEOSA-N 2 2 326.448 1.720 20 0 EDADLP Cn1cc(-c2cc3c(nn2)CC[NH+](CC[C@@H]2CCC[N@H+]2C)C3)cn1 ZINC000854128634 595983642 /nfs/dbraw/zinc/98/36/42/595983642.db2.gz NZYXVYOICCQDQE-INIZCTEOSA-N 2 2 326.448 1.720 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccnc(F)c3)CC2)CC1 ZINC000859133872 595985584 /nfs/dbraw/zinc/98/55/84/595985584.db2.gz IBBFCEHZJKPUGO-UHFFFAOYSA-N 2 2 348.466 1.987 20 0 EDADLP c1[nH]nc([C@@H]2CC[NH2+]C2)c1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000854143411 595988716 /nfs/dbraw/zinc/98/87/16/595988716.db2.gz SERQXVDXBBXPGW-YRGRVCCFSA-N 2 2 344.419 1.462 20 0 EDADLP c1[nH]nc([C@@H]2CC[NH2+]C2)c1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000854143411 595988719 /nfs/dbraw/zinc/98/87/19/595988719.db2.gz SERQXVDXBBXPGW-YRGRVCCFSA-N 2 2 344.419 1.462 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn(C)nn3)C2)ccn1 ZINC000856560875 596017918 /nfs/dbraw/zinc/01/79/18/596017918.db2.gz PUELRJBGCPSXBW-GOSISDBHSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn(C)nn3)C2)ccn1 ZINC000856560875 596017921 /nfs/dbraw/zinc/01/79/21/596017921.db2.gz PUELRJBGCPSXBW-GOSISDBHSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cn(C)nn3)C2)ccn1 ZINC000856560875 596017926 /nfs/dbraw/zinc/01/79/26/596017926.db2.gz PUELRJBGCPSXBW-GOSISDBHSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C2)ccn1 ZINC000856560875 596017931 /nfs/dbraw/zinc/01/79/31/596017931.db2.gz PUELRJBGCPSXBW-GOSISDBHSA-N 2 2 344.463 1.704 20 0 EDADLP CCn1ncnc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585014 596023693 /nfs/dbraw/zinc/02/36/93/596023693.db2.gz XHGVFQVIJTYWQM-QGZVFWFLSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1ncnc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585014 596023697 /nfs/dbraw/zinc/02/36/97/596023697.db2.gz XHGVFQVIJTYWQM-QGZVFWFLSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1ncnc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585014 596023700 /nfs/dbraw/zinc/02/37/00/596023700.db2.gz XHGVFQVIJTYWQM-QGZVFWFLSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1ncnc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856585014 596023703 /nfs/dbraw/zinc/02/37/03/596023703.db2.gz XHGVFQVIJTYWQM-QGZVFWFLSA-N 2 2 344.463 1.798 20 0 EDADLP C[C@H]1C[N@H+](Cc2cn(C)nc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000857023611 596142619 /nfs/dbraw/zinc/14/26/19/596142619.db2.gz ZMUQZSOULNBHIP-ZFWWWQNUSA-N 2 2 325.888 1.531 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cn(C)nc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000857023611 596142620 /nfs/dbraw/zinc/14/26/20/596142620.db2.gz ZMUQZSOULNBHIP-ZFWWWQNUSA-N 2 2 325.888 1.531 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000864613723 596283382 /nfs/dbraw/zinc/28/33/82/596283382.db2.gz DWSPXZIGALUPHA-GIZXNFQBSA-N 2 2 349.500 1.890 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842370 596297117 /nfs/dbraw/zinc/29/71/17/596297117.db2.gz NBNVAODKPKKMOE-VXGBXAGGSA-N 2 2 338.477 1.448 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842370 596297119 /nfs/dbraw/zinc/29/71/19/596297119.db2.gz NBNVAODKPKKMOE-VXGBXAGGSA-N 2 2 338.477 1.448 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842370 596297121 /nfs/dbraw/zinc/29/71/21/596297121.db2.gz NBNVAODKPKKMOE-VXGBXAGGSA-N 2 2 338.477 1.448 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842370 596297122 /nfs/dbraw/zinc/29/71/22/596297122.db2.gz NBNVAODKPKKMOE-VXGBXAGGSA-N 2 2 338.477 1.448 20 0 EDADLP CC(C)(C)C1=CC[N@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867495613 596397211 /nfs/dbraw/zinc/39/72/11/596397211.db2.gz IUWVTGWQRGVLHU-SNAWJCMRSA-N 2 2 335.492 1.669 20 0 EDADLP CC(C)(C)C1=CC[N@@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867495613 596397214 /nfs/dbraw/zinc/39/72/14/596397214.db2.gz IUWVTGWQRGVLHU-SNAWJCMRSA-N 2 2 335.492 1.669 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000870955689 596417347 /nfs/dbraw/zinc/41/73/47/596417347.db2.gz XAKALYGKIBEXSG-QGZVFWFLSA-N 2 2 335.496 1.650 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864923470 596417547 /nfs/dbraw/zinc/41/75/47/596417547.db2.gz XLWTYNVHGCDZJN-HWKANZROSA-N 2 2 327.388 1.403 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C2)cc1 ZINC000870978927 596425494 /nfs/dbraw/zinc/42/54/94/596425494.db2.gz DFEMWPXBGKNQGS-MSOLQXFVSA-N 2 2 333.476 1.685 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C2)cc1 ZINC000870978927 596425497 /nfs/dbraw/zinc/42/54/97/596425497.db2.gz DFEMWPXBGKNQGS-MSOLQXFVSA-N 2 2 333.476 1.685 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000870978947 596425874 /nfs/dbraw/zinc/42/58/74/596425874.db2.gz DIHNVKHRTKEKHZ-SJLPKXTDSA-N 2 2 333.476 1.700 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000870978947 596425876 /nfs/dbraw/zinc/42/58/76/596425876.db2.gz DIHNVKHRTKEKHZ-SJLPKXTDSA-N 2 2 333.476 1.700 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000870981988 596428420 /nfs/dbraw/zinc/42/84/20/596428420.db2.gz UVLMOGYQYHVZDK-LJQANCHMSA-N 2 2 344.503 1.705 20 0 EDADLP C[C@@]1(NC(=O)/C=C/C[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000869162233 596430355 /nfs/dbraw/zinc/43/03/55/596430355.db2.gz IRLVFWKZNUSXGH-MUPIXQSSSA-N 2 2 343.471 1.656 20 0 EDADLP C[C@@]1(NC(=O)/C=C/C[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000869162233 596430358 /nfs/dbraw/zinc/43/03/58/596430358.db2.gz IRLVFWKZNUSXGH-MUPIXQSSSA-N 2 2 343.471 1.656 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)cc2C1 ZINC000871010825 596437933 /nfs/dbraw/zinc/43/79/33/596437933.db2.gz IUDXQLQXHJJMPJ-INIZCTEOSA-N 2 2 327.432 1.993 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)cc2C1 ZINC000871010825 596437936 /nfs/dbraw/zinc/43/79/36/596437936.db2.gz IUDXQLQXHJJMPJ-INIZCTEOSA-N 2 2 327.432 1.993 20 0 EDADLP Cn1cc(-c2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2)cn1 ZINC000869243584 596459654 /nfs/dbraw/zinc/45/96/54/596459654.db2.gz RKEAVDCOENNYSW-UHFFFAOYSA-N 2 2 343.475 1.700 20 0 EDADLP Cn1cc(-c2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2)cn1 ZINC000869243584 596459656 /nfs/dbraw/zinc/45/96/56/596459656.db2.gz RKEAVDCOENNYSW-UHFFFAOYSA-N 2 2 343.475 1.700 20 0 EDADLP CC(C)CN1C(=O)C(=O)N(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000121722976 596476748 /nfs/dbraw/zinc/47/67/48/596476748.db2.gz SIVFUPARKVJENJ-KGLIPLIRSA-N 2 2 347.419 1.170 20 0 EDADLP CC(C)CN1C(=O)C(=O)N(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000121722976 596476751 /nfs/dbraw/zinc/47/67/51/596476751.db2.gz SIVFUPARKVJENJ-KGLIPLIRSA-N 2 2 347.419 1.170 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=S)NCc3ccon3)c2)CC1 ZINC000865254419 596525374 /nfs/dbraw/zinc/52/53/74/596525374.db2.gz WTSGQFKRMGHQBH-UHFFFAOYSA-N 2 2 332.433 1.308 20 0 EDADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCC1(C)C ZINC000867742686 596527717 /nfs/dbraw/zinc/52/77/17/596527717.db2.gz SVCBJMYSLMXBTG-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCC1(C)C ZINC000867742686 596527718 /nfs/dbraw/zinc/52/77/18/596527718.db2.gz SVCBJMYSLMXBTG-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCC1(C)C ZINC000867742686 596527721 /nfs/dbraw/zinc/52/77/21/596527721.db2.gz SVCBJMYSLMXBTG-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCC1(C)C ZINC000867742686 596527723 /nfs/dbraw/zinc/52/77/23/596527723.db2.gz SVCBJMYSLMXBTG-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP COCCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000863269637 596534235 /nfs/dbraw/zinc/53/42/35/596534235.db2.gz KIHATCPIQARCCF-GOSISDBHSA-N 2 2 337.464 1.609 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865405350 596564174 /nfs/dbraw/zinc/56/41/74/596564174.db2.gz GXJDEWNGUAANSR-INIZCTEOSA-N 2 2 340.431 1.905 20 0 EDADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cn(C3CC3)cn2)c1 ZINC000865446679 596577723 /nfs/dbraw/zinc/57/77/23/596577723.db2.gz YRCWOFQGNHOWTN-UHFFFAOYSA-N 2 2 341.459 1.799 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000867844135 596582956 /nfs/dbraw/zinc/58/29/56/596582956.db2.gz SFAWYYPUEYBKJH-CQSZACIVSA-N 2 2 330.436 1.198 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865508648 596594208 /nfs/dbraw/zinc/59/42/08/596594208.db2.gz LTBZUOXFZRBIOW-UHFFFAOYSA-N 2 2 348.838 1.307 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000863546141 596613785 /nfs/dbraw/zinc/61/37/85/596613785.db2.gz DZGXCPYQVMQGPL-CWLKWCNXSA-N 2 2 347.459 1.753 20 0 EDADLP Nc1nc(N2CC[NH+](C3CCOCC3)CC2)nc(C2CCCC2)[nH+]1 ZINC000865580142 596616896 /nfs/dbraw/zinc/61/68/96/596616896.db2.gz SUZSTSKYTXDXGM-UHFFFAOYSA-N 2 2 332.452 1.412 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@]3(C)CCC[NH2+]3)C2)c1 ZINC000867997317 596647551 /nfs/dbraw/zinc/64/75/51/596647551.db2.gz DSIPNLHGRMULGW-HKUYNNGSSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@]3(C)CCC[NH2+]3)C2)c1 ZINC000867997317 596647557 /nfs/dbraw/zinc/64/75/57/596647557.db2.gz DSIPNLHGRMULGW-HKUYNNGSSA-N 2 2 331.460 1.454 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CC1(C)C ZINC000868055563 596671773 /nfs/dbraw/zinc/67/17/73/596671773.db2.gz KVJKUWSMDNCAGC-CQSZACIVSA-N 2 2 346.466 1.106 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CC1(C)C ZINC000868055563 596671777 /nfs/dbraw/zinc/67/17/77/596671777.db2.gz KVJKUWSMDNCAGC-CQSZACIVSA-N 2 2 346.466 1.106 20 0 EDADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1(C)C ZINC000868055563 596671779 /nfs/dbraw/zinc/67/17/79/596671779.db2.gz KVJKUWSMDNCAGC-CQSZACIVSA-N 2 2 346.466 1.106 20 0 EDADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1(C)C ZINC000868055563 596671782 /nfs/dbraw/zinc/67/17/82/596671782.db2.gz KVJKUWSMDNCAGC-CQSZACIVSA-N 2 2 346.466 1.106 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000868063723 596674104 /nfs/dbraw/zinc/67/41/04/596674104.db2.gz BFNHSXIOZVSHRC-GNAXCBTBSA-N 2 2 343.471 1.610 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)C1 ZINC000865770393 596676503 /nfs/dbraw/zinc/67/65/03/596676503.db2.gz RHVPSMGZDXAXMX-HHXXYDBFSA-N 2 2 345.443 1.633 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)C1 ZINC000865770393 596676506 /nfs/dbraw/zinc/67/65/06/596676506.db2.gz RHVPSMGZDXAXMX-HHXXYDBFSA-N 2 2 345.443 1.633 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865779319 596680706 /nfs/dbraw/zinc/68/07/06/596680706.db2.gz GVWSWVJMOCBSOU-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865779319 596680711 /nfs/dbraw/zinc/68/07/11/596680711.db2.gz GVWSWVJMOCBSOU-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)C[NH+]1CCOCC1 ZINC000868369667 596807753 /nfs/dbraw/zinc/80/77/53/596807753.db2.gz WUJQVNSBZWZDKR-MAUKXSAKSA-N 2 2 346.475 1.441 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000868369667 596807754 /nfs/dbraw/zinc/80/77/54/596807754.db2.gz WUJQVNSBZWZDKR-MAUKXSAKSA-N 2 2 346.475 1.441 20 0 EDADLP Cc1ccccc1CCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148770 596812132 /nfs/dbraw/zinc/81/21/32/596812132.db2.gz RDEZXIXMCIIGEF-LSDHHAIUSA-N 2 2 343.393 1.723 20 0 EDADLP Cc1ccccc1CCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148770 596812134 /nfs/dbraw/zinc/81/21/34/596812134.db2.gz RDEZXIXMCIIGEF-LSDHHAIUSA-N 2 2 343.393 1.723 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150362 596813298 /nfs/dbraw/zinc/81/32/98/596813298.db2.gz QHATYMJAEFCOMR-QKCSRTOESA-N 2 2 347.356 1.899 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872150362 596813300 /nfs/dbraw/zinc/81/33/00/596813300.db2.gz QHATYMJAEFCOMR-QKCSRTOESA-N 2 2 347.356 1.899 20 0 EDADLP [NH3+]C[C@]1(c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCCOC1 ZINC000872174757 596820422 /nfs/dbraw/zinc/82/04/22/596820422.db2.gz KZHDXOCAMDCJLA-QGZVFWFLSA-N 2 2 325.372 1.929 20 0 EDADLP COC[C@@]1(c2nc(-c3cccnc3-n3cc[nH+]c3)no2)CCCC[NH2+]1 ZINC000872175997 596821248 /nfs/dbraw/zinc/82/12/48/596821248.db2.gz MWRQLPLUQNTATE-QGZVFWFLSA-N 2 2 340.387 1.933 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000866212591 596830083 /nfs/dbraw/zinc/83/00/83/596830083.db2.gz IDQKYJOPKUJZQX-UHFFFAOYSA-N 2 2 332.448 1.013 20 0 EDADLP CC(C)c1cnc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872257154 596857623 /nfs/dbraw/zinc/85/76/23/596857623.db2.gz LXRBTPWFFXZACC-XQQFMLRXSA-N 2 2 336.461 1.633 20 0 EDADLP CC(C)c1cnc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872257154 596857627 /nfs/dbraw/zinc/85/76/27/596857627.db2.gz LXRBTPWFFXZACC-XQQFMLRXSA-N 2 2 336.461 1.633 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC000875621099 596922087 /nfs/dbraw/zinc/92/20/87/596922087.db2.gz HFWYMTQFHVRREC-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC000875621099 596922089 /nfs/dbraw/zinc/92/20/89/596922089.db2.gz HFWYMTQFHVRREC-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)C[NH+]3CCCC3)CCCC2)no1 ZINC000874183469 596959200 /nfs/dbraw/zinc/95/92/00/596959200.db2.gz WITCYEXRTTURPL-UHFFFAOYSA-N 2 2 349.479 1.893 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cn2cc[nH+]c12 ZINC000874370533 597044264 /nfs/dbraw/zinc/04/42/64/597044264.db2.gz ZOCAKMFCWBFTGT-GJZGRUSLSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cn2cc[nH+]c12 ZINC000874370533 597044269 /nfs/dbraw/zinc/04/42/69/597044269.db2.gz ZOCAKMFCWBFTGT-GJZGRUSLSA-N 2 2 341.415 1.276 20 0 EDADLP COCc1nn(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=O)o1 ZINC000872744118 597055441 /nfs/dbraw/zinc/05/54/41/597055441.db2.gz OHKQXHJJQSOJCK-UHFFFAOYSA-N 2 2 326.441 1.240 20 0 EDADLP COCc1nn(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=O)o1 ZINC000872744118 597055446 /nfs/dbraw/zinc/05/54/46/597055446.db2.gz OHKQXHJJQSOJCK-UHFFFAOYSA-N 2 2 326.441 1.240 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)nn2)cc1 ZINC000873012262 597159745 /nfs/dbraw/zinc/15/97/45/597159745.db2.gz FSAKDOMIJFHPMT-INIZCTEOSA-N 2 2 341.459 1.909 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)nn2)cc1 ZINC000873012262 597159748 /nfs/dbraw/zinc/15/97/48/597159748.db2.gz FSAKDOMIJFHPMT-INIZCTEOSA-N 2 2 341.459 1.909 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000876346659 597174518 /nfs/dbraw/zinc/17/45/18/597174518.db2.gz UYNUXYPKTUBJRS-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000876346659 597174520 /nfs/dbraw/zinc/17/45/20/597174520.db2.gz UYNUXYPKTUBJRS-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)C2=O ZINC000020637615 597180704 /nfs/dbraw/zinc/18/07/04/597180704.db2.gz JFJPJOVSHRKQEN-LLVKDONJSA-N 2 2 348.369 1.234 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)C2=O ZINC000020637615 597180709 /nfs/dbraw/zinc/18/07/09/597180709.db2.gz JFJPJOVSHRKQEN-LLVKDONJSA-N 2 2 348.369 1.234 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000124406433 597213991 /nfs/dbraw/zinc/21/39/91/597213991.db2.gz LSFNCBDGNPJSHV-UHFFFAOYSA-N 2 2 336.436 1.007 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC1CCC2(CC1)OCCO2 ZINC000124406433 597213996 /nfs/dbraw/zinc/21/39/96/597213996.db2.gz LSFNCBDGNPJSHV-UHFFFAOYSA-N 2 2 336.436 1.007 20 0 EDADLP O=C([C@H]1CCCO1)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873200593 597224924 /nfs/dbraw/zinc/22/49/24/597224924.db2.gz GRPIUQJTWWRRIL-OAHLLOKOSA-N 2 2 335.473 1.217 20 0 EDADLP COc1cc2c(cc1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)OCO2 ZINC000873228133 597233683 /nfs/dbraw/zinc/23/36/83/597233683.db2.gz PUKDJTBWULBTKG-QWRGUYRKSA-N 2 2 332.322 1.993 20 0 EDADLP COc1cc2c(cc1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)OCO2 ZINC000873228133 597233686 /nfs/dbraw/zinc/23/36/86/597233686.db2.gz PUKDJTBWULBTKG-QWRGUYRKSA-N 2 2 332.322 1.993 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1OC ZINC000873230545 597235082 /nfs/dbraw/zinc/23/50/82/597235082.db2.gz TWTLADKBHSILEX-HKUYNNGSSA-N 2 2 347.459 1.584 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876718050 597303668 /nfs/dbraw/zinc/30/36/68/597303668.db2.gz NFPXBSFQNKHUKK-GOEBONIOSA-N 2 2 344.459 1.386 20 0 EDADLP COC[C@@]1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)C[NH2+]CCO1 ZINC000876737146 597314307 /nfs/dbraw/zinc/31/43/07/597314307.db2.gz OLGBCZIEBZVPPR-GOSISDBHSA-N 2 2 344.415 1.637 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)CCO1 ZINC000875194058 597323587 /nfs/dbraw/zinc/32/35/87/597323587.db2.gz HGBDTXGONKUVRD-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)CCO1 ZINC000875194058 597323593 /nfs/dbraw/zinc/32/35/93/597323593.db2.gz HGBDTXGONKUVRD-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CCO1 ZINC000875194058 597323598 /nfs/dbraw/zinc/32/35/98/597323598.db2.gz HGBDTXGONKUVRD-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CCO1 ZINC000875194058 597323604 /nfs/dbraw/zinc/32/36/04/597323604.db2.gz HGBDTXGONKUVRD-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000873959839 597471184 /nfs/dbraw/zinc/47/11/84/597471184.db2.gz SHVNHFSYSCDLJQ-INIZCTEOSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000873959839 597471186 /nfs/dbraw/zinc/47/11/86/597471186.db2.gz SHVNHFSYSCDLJQ-INIZCTEOSA-N 2 2 325.416 1.900 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000877249533 597479505 /nfs/dbraw/zinc/47/95/05/597479505.db2.gz XEIPYRRASHAOPQ-MOPGFXCFSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000877249533 597479506 /nfs/dbraw/zinc/47/95/06/597479506.db2.gz XEIPYRRASHAOPQ-MOPGFXCFSA-N 2 2 345.487 1.702 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1c(F)cccc1F ZINC000877340873 597495613 /nfs/dbraw/zinc/49/56/13/597495613.db2.gz OCQDCUZIOPNJLR-DYVFJYSZSA-N 2 2 331.366 1.795 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C[C@H]1C(F)(F)F ZINC000877352900 597499114 /nfs/dbraw/zinc/49/91/14/597499114.db2.gz LYJQBPUHRZCIMY-BXKDBHETSA-N 2 2 344.312 1.612 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000877432830 597514658 /nfs/dbraw/zinc/51/46/58/597514658.db2.gz IAPAMVXSYUBVMP-SFHVURJKSA-N 2 2 345.487 1.535 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000877432830 597514659 /nfs/dbraw/zinc/51/46/59/597514659.db2.gz IAPAMVXSYUBVMP-SFHVURJKSA-N 2 2 345.487 1.535 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000877690447 597547730 /nfs/dbraw/zinc/54/77/30/597547730.db2.gz YIANTQHRUNPWRQ-NVXWUHKLSA-N 2 2 339.505 1.426 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000877690447 597547731 /nfs/dbraw/zinc/54/77/31/597547731.db2.gz YIANTQHRUNPWRQ-NVXWUHKLSA-N 2 2 339.505 1.426 20 0 EDADLP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000878204454 597586571 /nfs/dbraw/zinc/58/65/71/597586571.db2.gz PUGCUTFYKAQOSF-FQEVSTJZSA-N 2 2 338.455 1.971 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878694556 597681522 /nfs/dbraw/zinc/68/15/22/597681522.db2.gz VFTLRCQIQBRNHU-OALUTQOASA-N 2 2 348.487 1.298 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](c3nc(C)cs3)C2)CC1 ZINC000880010917 597807452 /nfs/dbraw/zinc/80/74/52/597807452.db2.gz ZNHFIZNQVRKVEO-GJZGRUSLSA-N 2 2 336.505 1.793 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](c3nc(C)cs3)C2)CC1 ZINC000880010917 597807454 /nfs/dbraw/zinc/80/74/54/597807454.db2.gz ZNHFIZNQVRKVEO-GJZGRUSLSA-N 2 2 336.505 1.793 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000879221277 597855090 /nfs/dbraw/zinc/85/50/90/597855090.db2.gz KECMNKMERUIMNS-KFWWJZLASA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000879221277 597855093 /nfs/dbraw/zinc/85/50/93/597855093.db2.gz KECMNKMERUIMNS-KFWWJZLASA-N 2 2 327.469 1.431 20 0 EDADLP O[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)COC[C@@H]1CCCO1 ZINC000880567522 597965952 /nfs/dbraw/zinc/96/59/52/597965952.db2.gz JODLCDVWMMBDQN-CEXWTWQISA-N 2 2 345.443 1.771 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884058394 597981479 /nfs/dbraw/zinc/98/14/79/597981479.db2.gz JELYDJWPVVHTHO-JKSUJKDBSA-N 2 2 347.463 1.022 20 0 EDADLP C[C@H](c1ccc(NC(=O)c2ncoc2C[NH3+])cc1)[NH+]1CCOCC1 ZINC000884213189 598031902 /nfs/dbraw/zinc/03/19/02/598031902.db2.gz VOWXHSIZQMVBMK-GFCCVEGCSA-N 2 2 330.388 1.779 20 0 EDADLP Cc1cn(C(C)(C)C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c[nH+]1 ZINC000884463324 598112579 /nfs/dbraw/zinc/11/25/79/598112579.db2.gz CSOLROULDQVDGB-UHFFFAOYSA-N 3 2 328.420 1.370 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001015723871 696711182 /nfs/dbraw/zinc/71/11/82/696711182.db2.gz XSGLBMNAOWUISD-QJPTWQEYSA-N 2 2 330.354 1.667 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001015723871 696711184 /nfs/dbraw/zinc/71/11/84/696711184.db2.gz XSGLBMNAOWUISD-QJPTWQEYSA-N 2 2 330.354 1.667 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCc2cnn(C)c2)[C@@H]1C ZINC000994299575 696728243 /nfs/dbraw/zinc/72/82/43/696728243.db2.gz WWOAOLTYXXIOEB-ZBFHGGJFSA-N 2 2 344.463 1.206 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@@H]1C ZINC000994299575 696728244 /nfs/dbraw/zinc/72/82/44/696728244.db2.gz WWOAOLTYXXIOEB-ZBFHGGJFSA-N 2 2 344.463 1.206 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC001031034597 695241022 /nfs/dbraw/zinc/24/10/22/695241022.db2.gz WVNKVPAKSVMCHE-HUUCEWRRSA-N 2 2 334.464 1.622 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939857700 699996716 /nfs/dbraw/zinc/99/67/16/699996716.db2.gz UHLBVKLPKUTKHP-YOEHRIQHSA-N 2 2 328.416 1.012 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939857677 699996773 /nfs/dbraw/zinc/99/67/73/699996773.db2.gz TYQLKFPIFYCEIG-DOMZBBRYSA-N 2 2 333.823 1.568 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnns3)[C@H]2C1 ZINC000992878867 695427216 /nfs/dbraw/zinc/42/72/16/695427216.db2.gz SUZMWHXCXFUNIN-FPMFFAJLSA-N 2 2 346.460 1.221 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993491159 696194604 /nfs/dbraw/zinc/19/46/04/696194604.db2.gz VSFNPMUMAOKJNN-OCCSQVGLSA-N 2 2 343.431 1.234 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@H+]1CC(=O)N(C)C ZINC000993491159 696194606 /nfs/dbraw/zinc/19/46/06/696194606.db2.gz VSFNPMUMAOKJNN-OCCSQVGLSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000916341990 696653168 /nfs/dbraw/zinc/65/31/68/696653168.db2.gz OJFZVQLOTCBQBD-LSDHHAIUSA-N 2 2 349.504 1.598 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000916341990 696653171 /nfs/dbraw/zinc/65/31/71/696653171.db2.gz OJFZVQLOTCBQBD-LSDHHAIUSA-N 2 2 349.504 1.598 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cncs2)[C@H]1C ZINC000994417169 696832980 /nfs/dbraw/zinc/83/29/80/696832980.db2.gz CHPXORAKHNPCQV-WFASDCNBSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cncs2)[C@H]1C ZINC000994417169 696832984 /nfs/dbraw/zinc/83/29/84/696832984.db2.gz CHPXORAKHNPCQV-WFASDCNBSA-N 2 2 333.461 1.817 20 0 EDADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000918217960 697140649 /nfs/dbraw/zinc/14/06/49/697140649.db2.gz YNYWWQIWAIUGTH-HNNXBMFYSA-N 2 2 328.526 1.407 20 0 EDADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000918217960 697140650 /nfs/dbraw/zinc/14/06/50/697140650.db2.gz YNYWWQIWAIUGTH-HNNXBMFYSA-N 2 2 328.526 1.407 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC(C)(C)/C=C\Cl)C2)CC1 ZINC000918906686 697222589 /nfs/dbraw/zinc/22/25/89/697222589.db2.gz QNTVZMSWVDOMOU-MEJMFZKBSA-N 2 2 328.888 1.985 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC(C)(C)/C=C\Cl)C2)CC1 ZINC000918906686 697222590 /nfs/dbraw/zinc/22/25/90/697222590.db2.gz QNTVZMSWVDOMOU-MEJMFZKBSA-N 2 2 328.888 1.985 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000919150225 697248968 /nfs/dbraw/zinc/24/89/68/697248968.db2.gz KBYYRLPPTKJBHV-HOTGVXAUSA-N 2 2 342.528 1.763 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@@H+]1C ZINC000920405060 697426705 /nfs/dbraw/zinc/42/67/05/697426705.db2.gz RIEQCXOOOLONIZ-VXGBXAGGSA-N 2 2 325.482 1.487 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@H+]1C ZINC000920405060 697426707 /nfs/dbraw/zinc/42/67/07/697426707.db2.gz RIEQCXOOOLONIZ-VXGBXAGGSA-N 2 2 325.482 1.487 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccncc3Cl)C2)CC[N@@H+]1C ZINC001031681418 697504588 /nfs/dbraw/zinc/50/45/88/697504588.db2.gz QVCLEHPHRCRNTE-IUODEOHRSA-N 2 2 336.867 1.623 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccncc3Cl)C2)CC[N@H+]1C ZINC001031681418 697504589 /nfs/dbraw/zinc/50/45/89/697504589.db2.gz QVCLEHPHRCRNTE-IUODEOHRSA-N 2 2 336.867 1.623 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000921427162 697603573 /nfs/dbraw/zinc/60/35/73/697603573.db2.gz YXZIVXATCOIMIW-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000921427162 697603576 /nfs/dbraw/zinc/60/35/76/697603576.db2.gz YXZIVXATCOIMIW-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2OC)C1 ZINC001031712342 697723234 /nfs/dbraw/zinc/72/32/34/697723234.db2.gz WLRLDVKXFMPYMZ-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2OC)C1 ZINC001031712342 697723237 /nfs/dbraw/zinc/72/32/37/697723237.db2.gz WLRLDVKXFMPYMZ-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083829 700178566 /nfs/dbraw/zinc/17/85/66/700178566.db2.gz XIVWEHJBRCMVQC-UHFFFAOYSA-N 2 2 342.447 1.612 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031774040 699134316 /nfs/dbraw/zinc/13/43/16/699134316.db2.gz LXTXNLVAXXDRIE-KRWDZBQOSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031774040 699134317 /nfs/dbraw/zinc/13/43/17/699134317.db2.gz LXTXNLVAXXDRIE-KRWDZBQOSA-N 2 2 337.414 1.997 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1C[NH+](C[C@@H]3CCCOC3)C1)C2 ZINC001031787776 699244840 /nfs/dbraw/zinc/24/48/40/699244840.db2.gz FOXDPMCOGFQABC-HOCLYGCPSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1C[NH+](C[C@@H]3CCCOC3)C1)CC2 ZINC001031787776 699244845 /nfs/dbraw/zinc/24/48/45/699244845.db2.gz FOXDPMCOGFQABC-HOCLYGCPSA-N 2 2 346.475 1.298 20 0 EDADLP CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941563721 701584111 /nfs/dbraw/zinc/58/41/11/701584111.db2.gz KWQCERYMBFKKMS-HNNXBMFYSA-N 2 2 331.464 1.068 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939208475 699354098 /nfs/dbraw/zinc/35/40/98/699354098.db2.gz COUMGMHMISUHSC-ZBEGNZNMSA-N 2 2 334.370 1.867 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000939210260 699357747 /nfs/dbraw/zinc/35/77/47/699357747.db2.gz MSONLWKKLKHZRE-CZUORRHYSA-N 2 2 344.463 1.540 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000939213499 699363277 /nfs/dbraw/zinc/36/32/77/699363277.db2.gz DPULPXUQAXUZIQ-YVEFUNNKSA-N 2 2 348.397 1.910 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)o1 ZINC000939257795 699435405 /nfs/dbraw/zinc/43/54/05/699435405.db2.gz OAIAVRYVZABEPC-ZFWWWQNUSA-N 2 2 349.479 1.300 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939407538 699562161 /nfs/dbraw/zinc/56/21/61/699562161.db2.gz FQEDJSYHQKILOU-FZMZJTMJSA-N 2 2 333.823 1.637 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000939534848 699675958 /nfs/dbraw/zinc/67/59/58/699675958.db2.gz NAZYHKBRVSFQFU-XHDPSFHLSA-N 2 2 345.447 1.929 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000939541088 699681982 /nfs/dbraw/zinc/68/19/82/699681982.db2.gz KZXMSFOOQDQQIX-DZGCQCFKSA-N 2 2 344.463 1.100 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939643888 699784077 /nfs/dbraw/zinc/78/40/77/699784077.db2.gz XUFWACGETSSAHP-WFASDCNBSA-N 2 2 347.488 1.754 20 0 EDADLP CO[C@H](C[NH+]1CC(CNC(=O)c2cccc3[nH+]ccn32)C1)C1CCC1 ZINC001031844461 699873232 /nfs/dbraw/zinc/87/32/32/699873232.db2.gz OVZXHLVUVJIMBQ-QGZVFWFLSA-N 2 2 342.443 1.811 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC000939748845 699895653 /nfs/dbraw/zinc/89/56/53/699895653.db2.gz RTKYBEUNPKSVLV-OCCSQVGLSA-N 2 2 346.435 1.335 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000939755050 699906020 /nfs/dbraw/zinc/90/60/20/699906020.db2.gz OUFXPTXMAUNJSX-BXUZGUMPSA-N 2 2 344.419 1.089 20 0 EDADLP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1csnn1 ZINC000939810049 699958301 /nfs/dbraw/zinc/95/83/01/699958301.db2.gz KRPSEFWWWZLKCU-DZGCQCFKSA-N 2 2 337.493 1.351 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144792 700274798 /nfs/dbraw/zinc/27/47/98/700274798.db2.gz OBFOXRDCPULYLU-UHFFFAOYSA-N 2 2 344.463 1.555 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940144792 700274802 /nfs/dbraw/zinc/27/48/02/700274802.db2.gz OBFOXRDCPULYLU-UHFFFAOYSA-N 2 2 344.463 1.555 20 0 EDADLP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000940183950 700340954 /nfs/dbraw/zinc/34/09/54/700340954.db2.gz WCOPAGHPEBIMRO-AWEZNQCLSA-N 2 2 343.431 1.604 20 0 EDADLP CCn1cc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)nn1 ZINC000940243614 700405277 /nfs/dbraw/zinc/40/52/77/700405277.db2.gz ZLCPVTVDLVMIMS-UHFFFAOYSA-N 2 2 345.451 1.056 20 0 EDADLP Cc1ccnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC000995167526 701637872 /nfs/dbraw/zinc/63/78/72/701637872.db2.gz JUEXEVCOEZGEIL-CABCVRRESA-N 2 2 342.447 1.136 20 0 EDADLP COC[C@H](C)[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001031880985 700502209 /nfs/dbraw/zinc/50/22/09/700502209.db2.gz AVTRFGZFEDUDED-AWEZNQCLSA-N 2 2 328.416 1.569 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940441259 700642334 /nfs/dbraw/zinc/64/23/34/700642334.db2.gz AJXBNBMCHGOHFO-UHFFFAOYSA-N 2 2 330.436 1.165 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)ncn1 ZINC000995106899 700936326 /nfs/dbraw/zinc/93/63/26/700936326.db2.gz NIFRLSFUTVKQER-UONOGXRCSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940842628 700938684 /nfs/dbraw/zinc/93/86/84/700938684.db2.gz KURYOXKKOJDWPL-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940842628 700938685 /nfs/dbraw/zinc/93/86/85/700938685.db2.gz KURYOXKKOJDWPL-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C(C)(C)C2)o1 ZINC000940842628 700938686 /nfs/dbraw/zinc/93/86/86/700938686.db2.gz KURYOXKKOJDWPL-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C(C)(C)C2)o1 ZINC000940842628 700938687 /nfs/dbraw/zinc/93/86/87/700938687.db2.gz KURYOXKKOJDWPL-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)CC1(C)C ZINC000940894243 700968670 /nfs/dbraw/zinc/96/86/70/700968670.db2.gz WMYHYYPRSAJBCY-MRXNPFEDSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)CC1(C)C ZINC000940894243 700968672 /nfs/dbraw/zinc/96/86/72/700968672.db2.gz WMYHYYPRSAJBCY-MRXNPFEDSA-N 2 2 344.463 1.342 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002067 701035812 /nfs/dbraw/zinc/03/58/12/701035812.db2.gz CXNPMDUJWINUPI-INIZCTEOSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002067 701035814 /nfs/dbraw/zinc/03/58/14/701035814.db2.gz CXNPMDUJWINUPI-INIZCTEOSA-N 2 2 347.507 1.479 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995118754 701097686 /nfs/dbraw/zinc/09/76/86/701097686.db2.gz UKWJNIUNADXXLB-ZIAGYGMSSA-N 2 2 345.451 1.199 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810931 701203913 /nfs/dbraw/zinc/20/39/13/701203913.db2.gz ZEIUTPRGDABMJO-CJNGLKHVSA-N 2 2 331.395 1.444 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810931 701203915 /nfs/dbraw/zinc/20/39/15/701203915.db2.gz ZEIUTPRGDABMJO-CJNGLKHVSA-N 2 2 331.395 1.444 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163981 701229255 /nfs/dbraw/zinc/22/92/55/701229255.db2.gz RCPDIPZXTZOCHS-HOTGVXAUSA-N 2 2 345.491 1.535 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163981 701229257 /nfs/dbraw/zinc/22/92/57/701229257.db2.gz RCPDIPZXTZOCHS-HOTGVXAUSA-N 2 2 345.491 1.535 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163981 701229260 /nfs/dbraw/zinc/22/92/60/701229260.db2.gz RCPDIPZXTZOCHS-HOTGVXAUSA-N 2 2 345.491 1.535 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163981 701229263 /nfs/dbraw/zinc/22/92/63/701229263.db2.gz RCPDIPZXTZOCHS-HOTGVXAUSA-N 2 2 345.491 1.535 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cnoc2C)CC1(C)C ZINC000941187213 701391609 /nfs/dbraw/zinc/39/16/09/701391609.db2.gz WNANDNIMYGKWRM-INIZCTEOSA-N 2 2 345.447 1.974 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cnoc2C)CC1(C)C ZINC000941187213 701391610 /nfs/dbraw/zinc/39/16/10/701391610.db2.gz WNANDNIMYGKWRM-INIZCTEOSA-N 2 2 345.447 1.974 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941221559 701412441 /nfs/dbraw/zinc/41/24/41/701412441.db2.gz XFBBQYBOOYJMHB-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941221559 701412443 /nfs/dbraw/zinc/41/24/43/701412443.db2.gz XFBBQYBOOYJMHB-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941221559 701412445 /nfs/dbraw/zinc/41/24/45/701412445.db2.gz XFBBQYBOOYJMHB-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941221559 701412446 /nfs/dbraw/zinc/41/24/46/701412446.db2.gz XFBBQYBOOYJMHB-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CC[NH+]1CC(N2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)C1 ZINC000941423868 701523767 /nfs/dbraw/zinc/52/37/67/701523767.db2.gz DMQAQKOYXGJVNX-UHFFFAOYSA-N 2 2 336.505 1.272 20 0 EDADLP CC[C@@H](F)C[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941444999 701536531 /nfs/dbraw/zinc/53/65/31/701536531.db2.gz ZITWZQRVNIOHHC-WBVHZDCISA-N 2 2 342.503 1.149 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995151186 701544490 /nfs/dbraw/zinc/54/44/90/701544490.db2.gz HATUUSPHELEXNI-IUODEOHRSA-N 2 2 331.395 1.561 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnoc2C)C1 ZINC000995180299 701946343 /nfs/dbraw/zinc/94/63/43/701946343.db2.gz DXXVXXSPVJEBEZ-HIFRSBDPSA-N 2 2 331.420 1.632 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000995748205 701961384 /nfs/dbraw/zinc/96/13/84/701961384.db2.gz RCAKNWRGQQYJGM-GJZGRUSLSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001031977738 702033076 /nfs/dbraw/zinc/03/30/76/702033076.db2.gz HORXJLHQNJLAKJ-DOMZBBRYSA-N 2 2 336.867 1.481 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001031977738 702033080 /nfs/dbraw/zinc/03/30/80/702033080.db2.gz HORXJLHQNJLAKJ-DOMZBBRYSA-N 2 2 336.867 1.481 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nccn2C)C1 ZINC000995185325 702122841 /nfs/dbraw/zinc/12/28/41/702122841.db2.gz NLKGOFHVBDZLGE-UONOGXRCSA-N 2 2 330.436 1.069 20 0 EDADLP CCc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995187205 702174784 /nfs/dbraw/zinc/17/47/84/702174784.db2.gz RFNHBBLGJWQLMZ-ZFWWWQNUSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995899271 702204161 /nfs/dbraw/zinc/20/41/61/702204161.db2.gz VWYGHHRIEWXQQZ-ZFWWWQNUSA-N 2 2 335.452 1.045 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC000995188880 702224728 /nfs/dbraw/zinc/22/47/28/702224728.db2.gz YHHNYMWNYQEDMX-HUUCEWRRSA-N 2 2 342.447 1.434 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995889555 702230078 /nfs/dbraw/zinc/23/00/78/702230078.db2.gz WENSCOGQEDMQDT-CYBMUJFWSA-N 2 2 335.452 1.189 20 0 EDADLP C[C@@H]1C[N@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097232 702262066 /nfs/dbraw/zinc/26/20/66/702262066.db2.gz FGFGYJZUVZUAEU-QAPCUYQASA-N 2 2 348.491 1.606 20 0 EDADLP C[C@@H]1C[N@@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097232 702262070 /nfs/dbraw/zinc/26/20/70/702262070.db2.gz FGFGYJZUVZUAEU-QAPCUYQASA-N 2 2 348.491 1.606 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3nc4ccc(F)cc4o3)C2)C1 ZINC001032185890 702310897 /nfs/dbraw/zinc/31/08/97/702310897.db2.gz FAWWNMJCUNCZEO-ZDUSSCGKSA-N 2 2 346.406 1.467 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3nc4ccc(F)cc4o3)C2)C1 ZINC001032185890 702310903 /nfs/dbraw/zinc/31/09/03/702310903.db2.gz FAWWNMJCUNCZEO-ZDUSSCGKSA-N 2 2 346.406 1.467 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)nc1 ZINC000995975695 702332154 /nfs/dbraw/zinc/33/21/54/702332154.db2.gz JNXFFOHTXMMUBU-CVEARBPZSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)nc1 ZINC000995975695 702332162 /nfs/dbraw/zinc/33/21/62/702332162.db2.gz JNXFFOHTXMMUBU-CVEARBPZSA-N 2 2 345.491 1.596 20 0 EDADLP CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1[NH2+]CCO ZINC000996090309 702500371 /nfs/dbraw/zinc/50/03/71/702500371.db2.gz HGVMBENUXRXNJI-INIZCTEOSA-N 2 2 328.416 1.305 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000942062809 702519150 /nfs/dbraw/zinc/51/91/50/702519150.db2.gz ACTIFBPFCILOKC-RHSMWYFYSA-N 2 2 330.476 1.999 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000942062809 702519152 /nfs/dbraw/zinc/51/91/52/702519152.db2.gz ACTIFBPFCILOKC-RHSMWYFYSA-N 2 2 330.476 1.999 20 0 EDADLP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996105316 702565477 /nfs/dbraw/zinc/56/54/77/702565477.db2.gz IOZXTVJYYGGMSJ-MRXNPFEDSA-N 2 2 342.447 1.398 20 0 EDADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996105733 702565969 /nfs/dbraw/zinc/56/59/69/702565969.db2.gz KQCWRCWHSXVOCC-CQSZACIVSA-N 2 2 330.436 1.034 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)n1 ZINC000996300404 702691764 /nfs/dbraw/zinc/69/17/64/702691764.db2.gz LSFVOGOYAAYCJC-GXTWGEPZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)n1 ZINC000996300404 702691766 /nfs/dbraw/zinc/69/17/66/702691766.db2.gz LSFVOGOYAAYCJC-GXTWGEPZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000996353692 702731875 /nfs/dbraw/zinc/73/18/75/702731875.db2.gz CHCJMCDUPONFCO-CZUORRHYSA-N 2 2 342.447 1.638 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996385834 702749859 /nfs/dbraw/zinc/74/98/59/702749859.db2.gz KRQVUFQMZSNHGP-HNNXBMFYSA-N 2 2 349.479 1.437 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996399280 702756339 /nfs/dbraw/zinc/75/63/39/702756339.db2.gz RHAGCIPVQRYGNE-GDBMZVCRSA-N 2 2 344.463 1.312 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996399280 702756340 /nfs/dbraw/zinc/75/63/40/702756340.db2.gz RHAGCIPVQRYGNE-GDBMZVCRSA-N 2 2 344.463 1.312 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnns2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942259408 702769168 /nfs/dbraw/zinc/76/91/68/702769168.db2.gz RNXIYFRDGPIITQ-DZGCQCFKSA-N 2 2 349.504 1.493 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnns2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942259408 702769169 /nfs/dbraw/zinc/76/91/69/702769169.db2.gz RNXIYFRDGPIITQ-DZGCQCFKSA-N 2 2 349.504 1.493 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)on1 ZINC000996608616 702911931 /nfs/dbraw/zinc/91/19/31/702911931.db2.gz DFCKYCRCVIWDNY-AWEZNQCLSA-N 2 2 347.419 1.215 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996675237 702974299 /nfs/dbraw/zinc/97/42/99/702974299.db2.gz FQWHKGSXPBMHHM-OAHLLOKOSA-N 2 2 340.431 1.331 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000996678372 702977275 /nfs/dbraw/zinc/97/72/75/702977275.db2.gz MWISCFRWWPGJIT-INIZCTEOSA-N 2 2 349.479 1.614 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000996681293 702979830 /nfs/dbraw/zinc/97/98/30/702979830.db2.gz YXMPWWUIEKNMDF-QGZVFWFLSA-N 2 2 349.479 1.443 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942518763 703020497 /nfs/dbraw/zinc/02/04/97/703020497.db2.gz WIAIOFQOOWWTGE-ZBFHGGJFSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942518763 703020499 /nfs/dbraw/zinc/02/04/99/703020499.db2.gz WIAIOFQOOWWTGE-ZBFHGGJFSA-N 2 2 344.463 1.435 20 0 EDADLP C[C@@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556351 703071005 /nfs/dbraw/zinc/07/10/05/703071005.db2.gz ZRGBDNLEMZGSMN-CVEARBPZSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556351 703071008 /nfs/dbraw/zinc/07/10/08/703071008.db2.gz ZRGBDNLEMZGSMN-CVEARBPZSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2noc(C(C)C)n2)CC1 ZINC000996798859 703085111 /nfs/dbraw/zinc/08/51/11/703085111.db2.gz QWDWILYPCQPTDD-UHFFFAOYSA-N 2 2 346.435 1.479 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060769645 703100999 /nfs/dbraw/zinc/10/09/99/703100999.db2.gz UHENHTMPGNGKFG-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060769645 703101000 /nfs/dbraw/zinc/10/10/00/703101000.db2.gz UHENHTMPGNGKFG-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996858413 703142766 /nfs/dbraw/zinc/14/27/66/703142766.db2.gz HXXVEZJEJBMNDX-UHFFFAOYSA-N 2 2 342.443 1.546 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032043118 703215795 /nfs/dbraw/zinc/21/57/95/703215795.db2.gz VOCDSYFBTNJEER-CABCVRRESA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032043118 703215796 /nfs/dbraw/zinc/21/57/96/703215796.db2.gz VOCDSYFBTNJEER-CABCVRRESA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)o1 ZINC000997066796 703311195 /nfs/dbraw/zinc/31/11/95/703311195.db2.gz WUKXOIVXMQDKFC-UHFFFAOYSA-N 2 2 346.435 1.479 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)on1 ZINC001032055222 703431275 /nfs/dbraw/zinc/43/12/75/703431275.db2.gz SWDPOLRQVBBGKJ-UHFFFAOYSA-N 2 2 342.443 1.906 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)cc1 ZINC000997178115 703464675 /nfs/dbraw/zinc/46/46/75/703464675.db2.gz CERNHOQFZZMUHB-UHFFFAOYSA-N 2 2 342.443 1.752 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1)c1c[nH+]c[nH]1 ZINC000997184247 703472748 /nfs/dbraw/zinc/47/27/48/703472748.db2.gz VIIIXGXYCBFNOS-OAHLLOKOSA-N 2 2 334.464 1.837 20 0 EDADLP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032414513 703474621 /nfs/dbraw/zinc/47/46/21/703474621.db2.gz CEGYDOZIJPGKDJ-BPUTZDHNSA-N 2 2 334.439 1.795 20 0 EDADLP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032414513 703474624 /nfs/dbraw/zinc/47/46/24/703474624.db2.gz CEGYDOZIJPGKDJ-BPUTZDHNSA-N 2 2 334.439 1.795 20 0 EDADLP CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000997243449 703529817 /nfs/dbraw/zinc/52/98/17/703529817.db2.gz JMQCRDDAUNXYJA-CRAIPNDOSA-N 2 2 337.508 1.724 20 0 EDADLP CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000997243449 703529820 /nfs/dbraw/zinc/52/98/20/703529820.db2.gz JMQCRDDAUNXYJA-CRAIPNDOSA-N 2 2 337.508 1.724 20 0 EDADLP CCc1cnc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000997308102 703566283 /nfs/dbraw/zinc/56/62/83/703566283.db2.gz ASPHACLJTHHFGN-UHFFFAOYSA-N 2 2 331.420 1.523 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1)c1cccnc1 ZINC000997368743 703608021 /nfs/dbraw/zinc/60/80/21/703608021.db2.gz KWOLPJCWEFHKNH-CRAIPNDOSA-N 2 2 346.475 1.301 20 0 EDADLP COc1cccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000084114077 703867524 /nfs/dbraw/zinc/86/75/24/703867524.db2.gz WCIBZXAMHMILJW-UHFFFAOYSA-N 2 2 346.475 1.770 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001004201401 703929140 /nfs/dbraw/zinc/92/91/40/703929140.db2.gz PAISBJPWLPEOHE-INIZCTEOSA-N 2 2 334.464 1.938 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001004201401 703929143 /nfs/dbraw/zinc/92/91/43/703929143.db2.gz PAISBJPWLPEOHE-INIZCTEOSA-N 2 2 334.464 1.938 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001004205114 703944735 /nfs/dbraw/zinc/94/47/35/703944735.db2.gz ZMEARIMYWGQEHS-BETUJISGSA-N 2 2 337.493 1.492 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001004205114 703944738 /nfs/dbraw/zinc/94/47/38/703944738.db2.gz ZMEARIMYWGQEHS-BETUJISGSA-N 2 2 337.493 1.492 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ncnn2C)CC1 ZINC000997640885 703945561 /nfs/dbraw/zinc/94/55/61/703945561.db2.gz ALZWMKJHKFHAEP-GOEBONIOSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ncnn2C)CC1 ZINC000997640885 703945563 /nfs/dbraw/zinc/94/55/63/703945563.db2.gz ALZWMKJHKFHAEP-GOEBONIOSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997644578 703956752 /nfs/dbraw/zinc/95/67/52/703956752.db2.gz RRJNZPZCENGWIV-STQMWFEESA-N 2 2 330.432 1.774 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001004208116 703968249 /nfs/dbraw/zinc/96/82/49/703968249.db2.gz LNOJKMHNNDZAAA-OAHLLOKOSA-N 2 2 337.493 1.493 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC001004252011 704077796 /nfs/dbraw/zinc/07/77/96/704077796.db2.gz DVOIRRHSYLQULE-UHFFFAOYSA-N 2 2 346.406 1.682 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033081069 704135958 /nfs/dbraw/zinc/13/59/58/704135958.db2.gz LSXDWCBBKWANFN-HOCLYGCPSA-N 2 2 348.447 1.058 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033081069 704135960 /nfs/dbraw/zinc/13/59/60/704135960.db2.gz LSXDWCBBKWANFN-HOCLYGCPSA-N 2 2 348.447 1.058 20 0 EDADLP CC[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1)OC ZINC001033097745 704192169 /nfs/dbraw/zinc/19/21/69/704192169.db2.gz WZWYTMGGRKGWKJ-DLBZAZTESA-N 2 2 348.491 1.720 20 0 EDADLP CC[C@H](C[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1)OC ZINC001033097745 704192171 /nfs/dbraw/zinc/19/21/71/704192171.db2.gz WZWYTMGGRKGWKJ-DLBZAZTESA-N 2 2 348.491 1.720 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1 ZINC001032550499 704684866 /nfs/dbraw/zinc/68/48/66/704684866.db2.gz USDZBBHDPWQQKP-YESZJQIVSA-N 2 2 332.448 1.518 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCCO1 ZINC001032550499 704684868 /nfs/dbraw/zinc/68/48/68/704684868.db2.gz USDZBBHDPWQQKP-YESZJQIVSA-N 2 2 332.448 1.518 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)nn1C ZINC000997815531 704736118 /nfs/dbraw/zinc/73/61/18/704736118.db2.gz CUTWQMIFWMDKNY-UHFFFAOYSA-N 2 2 344.463 1.413 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)nn1C ZINC000997815531 704736120 /nfs/dbraw/zinc/73/61/20/704736120.db2.gz CUTWQMIFWMDKNY-UHFFFAOYSA-N 2 2 344.463 1.413 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997866437 704773329 /nfs/dbraw/zinc/77/33/29/704773329.db2.gz JRNBGOOUDYWZNS-SWLSCSKDSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997866437 704773331 /nfs/dbraw/zinc/77/33/31/704773331.db2.gz JRNBGOOUDYWZNS-SWLSCSKDSA-N 2 2 335.452 1.046 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)on1 ZINC000944965060 704834927 /nfs/dbraw/zinc/83/49/27/704834927.db2.gz PGSXZNZKLDJHIP-DOMZBBRYSA-N 2 2 347.419 1.215 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)on1 ZINC000944965060 704834931 /nfs/dbraw/zinc/83/49/31/704834931.db2.gz PGSXZNZKLDJHIP-DOMZBBRYSA-N 2 2 347.419 1.215 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001032585712 705067279 /nfs/dbraw/zinc/06/72/79/705067279.db2.gz SYVNKCUILPBJLV-BZSNNMDCSA-N 2 2 333.476 1.325 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001032585712 705067282 /nfs/dbraw/zinc/06/72/82/705067282.db2.gz SYVNKCUILPBJLV-BZSNNMDCSA-N 2 2 333.476 1.325 20 0 EDADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032585712 705067289 /nfs/dbraw/zinc/06/72/89/705067289.db2.gz SYVNKCUILPBJLV-BZSNNMDCSA-N 2 2 333.476 1.325 20 0 EDADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032585712 705067295 /nfs/dbraw/zinc/06/72/95/705067295.db2.gz SYVNKCUILPBJLV-BZSNNMDCSA-N 2 2 333.476 1.325 20 0 EDADLP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000997953050 705081198 /nfs/dbraw/zinc/08/11/98/705081198.db2.gz QLNOFAMGQRIZQQ-UHFFFAOYSA-N 2 2 344.463 1.344 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000997976756 705120751 /nfs/dbraw/zinc/12/07/51/705120751.db2.gz NZWQCJGNHHCUCM-CVEARBPZSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000997976756 705120754 /nfs/dbraw/zinc/12/07/54/705120754.db2.gz NZWQCJGNHHCUCM-CVEARBPZSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](CCCF)CC1 ZINC000997976756 705120756 /nfs/dbraw/zinc/12/07/56/705120756.db2.gz NZWQCJGNHHCUCM-CVEARBPZSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](CCCF)CC1 ZINC000997976756 705120759 /nfs/dbraw/zinc/12/07/59/705120759.db2.gz NZWQCJGNHHCUCM-CVEARBPZSA-N 2 2 329.460 1.380 20 0 EDADLP C[C@H](CC(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1)n1cc[nH+]c1 ZINC000998129166 705392902 /nfs/dbraw/zinc/39/29/02/705392902.db2.gz ZBCUQNWBYVVKPJ-OAHLLOKOSA-N 2 2 344.463 1.596 20 0 EDADLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@@H]2CC2(F)F)CC1 ZINC001032603038 705421806 /nfs/dbraw/zinc/42/18/06/705421806.db2.gz MBRJHQFVRCOHNV-SOUVJXGZSA-N 2 2 343.418 1.038 20 0 EDADLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@@H]2CC2(F)F)CC1 ZINC001032603038 705421809 /nfs/dbraw/zinc/42/18/09/705421809.db2.gz MBRJHQFVRCOHNV-SOUVJXGZSA-N 2 2 343.418 1.038 20 0 EDADLP Cc1ncccc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000998221719 705547220 /nfs/dbraw/zinc/54/72/20/705547220.db2.gz GSHYSCSYOGHAIJ-UHFFFAOYSA-N 2 2 341.459 1.694 20 0 EDADLP Cc1noc(CCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001032611516 705579293 /nfs/dbraw/zinc/57/92/93/705579293.db2.gz LVXVZPBAMRBVGO-YQQAZPJKSA-N 2 2 349.479 1.182 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)no1 ZINC000998269303 705651986 /nfs/dbraw/zinc/65/19/86/705651986.db2.gz MBNPKTOBRGPLQE-GFCCVEGCSA-N 2 2 346.435 1.472 20 0 EDADLP CC(C)Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000998726046 706160751 /nfs/dbraw/zinc/16/07/51/706160751.db2.gz YONPETARTBSWBZ-CABCVRRESA-N 2 2 349.479 1.443 20 0 EDADLP CC(C)Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000998726046 706160752 /nfs/dbraw/zinc/16/07/52/706160752.db2.gz YONPETARTBSWBZ-CABCVRRESA-N 2 2 349.479 1.443 20 0 EDADLP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCc4[nH+]ccn43)C2)o1 ZINC000998902935 706339410 /nfs/dbraw/zinc/33/94/10/706339410.db2.gz ZVOQHCZPAPHOCQ-JXQTWKCFSA-N 2 2 344.419 1.231 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]C[C@@H]3CCCOC3)C2)c[nH+]1 ZINC000998970522 706390965 /nfs/dbraw/zinc/39/09/65/706390965.db2.gz IMMVQVWLCGNAPZ-GTPINHCMSA-N 2 2 348.491 1.932 20 0 EDADLP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3nc(C4CC4)no3)C2)CCC1 ZINC000999347796 706859871 /nfs/dbraw/zinc/85/98/71/706859871.db2.gz KQVSMTHGNCTHRK-AWEZNQCLSA-N 2 2 347.463 1.512 20 0 EDADLP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999372061 706886427 /nfs/dbraw/zinc/88/64/27/706886427.db2.gz NVVJIJDCFNJDJK-ZFWWWQNUSA-N 2 2 344.419 1.233 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]CC[C@@H]3CCOC3)C2)c[nH+]1 ZINC000999464389 706972228 /nfs/dbraw/zinc/97/22/28/706972228.db2.gz AVAUTLCHQUUSBG-SJORKVTESA-N 2 2 348.491 1.934 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)oc1C ZINC000999506784 707004171 /nfs/dbraw/zinc/00/41/71/707004171.db2.gz BWTYTJSJBMFZJC-HZPDHXFCSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)oc1C ZINC000999506784 707004174 /nfs/dbraw/zinc/00/41/74/707004174.db2.gz BWTYTJSJBMFZJC-HZPDHXFCSA-N 2 2 334.464 1.856 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999549168 707048744 /nfs/dbraw/zinc/04/87/44/707048744.db2.gz ROUIPFJYSAODOQ-IAGOWNOFSA-N 2 2 339.443 1.621 20 0 EDADLP CCc1noc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999726652 707269073 /nfs/dbraw/zinc/26/90/73/707269073.db2.gz ORKWRPYXFXWEFR-KGLIPLIRSA-N 2 2 346.435 1.479 20 0 EDADLP Cc1nc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)no1 ZINC000999704986 707294154 /nfs/dbraw/zinc/29/41/54/707294154.db2.gz FHGDAQCGGNVYBC-XGNXJENSSA-N 2 2 333.436 1.114 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999773903 707332970 /nfs/dbraw/zinc/33/29/70/707332970.db2.gz FBIVORWGDJVTKS-AWEZNQCLSA-N 2 2 340.418 1.979 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2cnccc2C)C1 ZINC000999745686 707345563 /nfs/dbraw/zinc/34/55/63/707345563.db2.gz AOZRRPCWZHAAAU-UHFFFAOYSA-N 2 2 327.432 1.743 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999755580 707357918 /nfs/dbraw/zinc/35/79/18/707357918.db2.gz XQHQGFCVHJPJLM-LEOMRAHMSA-N 2 2 342.443 1.573 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999796393 707367719 /nfs/dbraw/zinc/36/77/19/707367719.db2.gz DFZQKCKMKINKKZ-RBUKOAKNSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999796393 707367722 /nfs/dbraw/zinc/36/77/22/707367722.db2.gz DFZQKCKMKINKKZ-RBUKOAKNSA-N 2 2 349.519 1.868 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033298087 707435903 /nfs/dbraw/zinc/43/59/03/707435903.db2.gz ZQBYLGCWMVQAHB-RBUKOAKNSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033298087 707435904 /nfs/dbraw/zinc/43/59/04/707435904.db2.gz ZQBYLGCWMVQAHB-RBUKOAKNSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033298087 707435908 /nfs/dbraw/zinc/43/59/08/707435908.db2.gz ZQBYLGCWMVQAHB-RBUKOAKNSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033298087 707435910 /nfs/dbraw/zinc/43/59/10/707435910.db2.gz ZQBYLGCWMVQAHB-RBUKOAKNSA-N 2 2 349.519 1.820 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999834680 707467297 /nfs/dbraw/zinc/46/72/97/707467297.db2.gz CZIGWLVEYBCJCJ-INIZCTEOSA-N 2 2 331.395 1.588 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999835294 707469298 /nfs/dbraw/zinc/46/92/98/707469298.db2.gz HSJYLUCLCYVLEO-CQSZACIVSA-N 2 2 326.391 1.899 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999871949 707515787 /nfs/dbraw/zinc/51/57/87/707515787.db2.gz NPNWIFXZDIYOJH-CQSZACIVSA-N 2 2 335.452 1.333 20 0 EDADLP Cc1noc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001004872404 707516351 /nfs/dbraw/zinc/51/63/51/707516351.db2.gz YFPQXNUYHYLHDQ-XJKSGUPXSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1noc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001004872404 707516355 /nfs/dbraw/zinc/51/63/55/707516355.db2.gz YFPQXNUYHYLHDQ-XJKSGUPXSA-N 2 2 349.479 1.722 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2nccn2C(F)F)C1 ZINC000999911859 707554289 /nfs/dbraw/zinc/55/42/89/707554289.db2.gz CKOLBWXLHXBQFL-UHFFFAOYSA-N 2 2 338.362 1.254 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033203260 707602959 /nfs/dbraw/zinc/60/29/59/707602959.db2.gz QCGFIWLVQIMXCR-OCCSQVGLSA-N 2 2 344.381 1.931 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033203260 707602963 /nfs/dbraw/zinc/60/29/63/707602963.db2.gz QCGFIWLVQIMXCR-OCCSQVGLSA-N 2 2 344.381 1.931 20 0 EDADLP C[C@H]([NH2+]Cc1ccon1)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004914912 707647039 /nfs/dbraw/zinc/64/70/39/707647039.db2.gz BLOQWTVJPPRSCG-GOEBONIOSA-N 2 2 331.420 1.821 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033366814 707664238 /nfs/dbraw/zinc/66/42/38/707664238.db2.gz VWYTXAGRGDVSQT-HNNXBMFYSA-N 2 2 345.447 1.421 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033366814 707664240 /nfs/dbraw/zinc/66/42/40/707664240.db2.gz VWYTXAGRGDVSQT-HNNXBMFYSA-N 2 2 345.447 1.421 20 0 EDADLP C[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004942842 707689870 /nfs/dbraw/zinc/68/98/70/707689870.db2.gz BGHUHDFXAOPGCA-PBHICJAKSA-N 2 2 334.464 1.738 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CC(C)(C)CO1)c1c[nH+]c[nH]1 ZINC001032731387 707732158 /nfs/dbraw/zinc/73/21/58/707732158.db2.gz CPSYJKCQUNUWJB-KKUMJFAQSA-N 2 2 346.475 1.788 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CC(C)(C)CO1)c1c[nH+]c[nH]1 ZINC001032731387 707732162 /nfs/dbraw/zinc/73/21/62/707732162.db2.gz CPSYJKCQUNUWJB-KKUMJFAQSA-N 2 2 346.475 1.788 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033398017 707738201 /nfs/dbraw/zinc/73/82/01/707738201.db2.gz UWPPRPKCFLQLCO-AWEZNQCLSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033398017 707738203 /nfs/dbraw/zinc/73/82/03/707738203.db2.gz UWPPRPKCFLQLCO-AWEZNQCLSA-N 2 2 337.493 1.221 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032733434 707740738 /nfs/dbraw/zinc/74/07/38/707740738.db2.gz VXDWENDPAFSNSV-JYJNAYRXSA-N 2 2 332.448 1.063 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032733434 707740741 /nfs/dbraw/zinc/74/07/41/707740741.db2.gz VXDWENDPAFSNSV-JYJNAYRXSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)nn1C ZINC001004959914 707774584 /nfs/dbraw/zinc/77/45/84/707774584.db2.gz ZJGXTFPKSXFUOR-YOEHRIQHSA-N 2 2 344.463 1.554 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc[nH+]1 ZINC001061652162 707778915 /nfs/dbraw/zinc/77/89/15/707778915.db2.gz GDQBHHDAVQSVGQ-HOCLYGCPSA-N 2 2 329.448 1.069 20 0 EDADLP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000921700855 707827690 /nfs/dbraw/zinc/82/76/90/707827690.db2.gz XWXHCAXPVWPAHV-CQSZACIVSA-N 2 2 336.432 1.173 20 0 EDADLP Cc1oncc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984323 707831591 /nfs/dbraw/zinc/83/15/91/707831591.db2.gz VUKYCLFPBARRIU-DYVFJYSZSA-N 2 2 345.447 1.818 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC001033422714 707837483 /nfs/dbraw/zinc/83/74/83/707837483.db2.gz IKDYJQSSJMMWKT-YOEHRIQHSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001033422714 707837484 /nfs/dbraw/zinc/83/74/84/707837484.db2.gz IKDYJQSSJMMWKT-YOEHRIQHSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001033422714 707837486 /nfs/dbraw/zinc/83/74/86/707837486.db2.gz IKDYJQSSJMMWKT-YOEHRIQHSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001033422714 707837489 /nfs/dbraw/zinc/83/74/89/707837489.db2.gz IKDYJQSSJMMWKT-YOEHRIQHSA-N 2 2 331.464 1.302 20 0 EDADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033426211 707847149 /nfs/dbraw/zinc/84/71/49/707847149.db2.gz OSUUMLUWLOJQSQ-HNNXBMFYSA-N 2 2 333.480 1.185 20 0 EDADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033426211 707847150 /nfs/dbraw/zinc/84/71/50/707847150.db2.gz OSUUMLUWLOJQSQ-HNNXBMFYSA-N 2 2 333.480 1.185 20 0 EDADLP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033426211 707847151 /nfs/dbraw/zinc/84/71/51/707847151.db2.gz OSUUMLUWLOJQSQ-HNNXBMFYSA-N 2 2 333.480 1.185 20 0 EDADLP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033426211 707847153 /nfs/dbraw/zinc/84/71/53/707847153.db2.gz OSUUMLUWLOJQSQ-HNNXBMFYSA-N 2 2 333.480 1.185 20 0 EDADLP Cc1noc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)n1 ZINC001004991244 707855206 /nfs/dbraw/zinc/85/52/06/707855206.db2.gz KBRPWZVNOXSJAH-DOMZBBRYSA-N 2 2 346.435 1.442 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC001060922861 707856652 /nfs/dbraw/zinc/85/66/52/707856652.db2.gz USLUJZWZHXNJGB-MRXNPFEDSA-N 2 2 331.464 1.777 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccn1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005008063 707922833 /nfs/dbraw/zinc/92/28/33/707922833.db2.gz GYJQBQBKFMMRQP-WBVHZDCISA-N 2 2 327.432 1.838 20 0 EDADLP CCn1ncnc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005008400 707923905 /nfs/dbraw/zinc/92/39/05/707923905.db2.gz ITTRBXMKCAJLRH-LSDHHAIUSA-N 2 2 345.451 1.054 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005009466 707925894 /nfs/dbraw/zinc/92/58/94/707925894.db2.gz NHCZFRHRTPGMMI-ZFWWWQNUSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1 ZINC001032785168 707990480 /nfs/dbraw/zinc/99/04/80/707990480.db2.gz ZZUMGXOYBDFZHH-IRXDYDNUSA-N 2 2 340.427 1.556 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1 ZINC001032785168 707990483 /nfs/dbraw/zinc/99/04/83/707990483.db2.gz ZZUMGXOYBDFZHH-IRXDYDNUSA-N 2 2 340.427 1.556 20 0 EDADLP O[C@]1(C[NH2+]Cc2cnn(CCF)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000921769677 708008878 /nfs/dbraw/zinc/00/88/78/708008878.db2.gz CZMWCZBYSYCNPA-SFHVURJKSA-N 2 2 332.423 1.579 20 0 EDADLP O[C@]1(C[NH2+]Cc2cnn(CCF)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000921769677 708008879 /nfs/dbraw/zinc/00/88/79/708008879.db2.gz CZMWCZBYSYCNPA-SFHVURJKSA-N 2 2 332.423 1.579 20 0 EDADLP Cc1csc(C[NH+]2CC=C(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001000523941 708043204 /nfs/dbraw/zinc/04/32/04/708043204.db2.gz ZWQZMKGMVKNWHP-OAHLLOKOSA-N 2 2 334.489 1.794 20 0 EDADLP Cc1csc(C[NH+]2CC=C(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001000523941 708043206 /nfs/dbraw/zinc/04/32/06/708043206.db2.gz ZWQZMKGMVKNWHP-OAHLLOKOSA-N 2 2 334.489 1.794 20 0 EDADLP Cc1csc(C[N@H+]2CC=C(CNC(=O)[C@H]3CCC[NH+]3C)CC2)n1 ZINC001000523941 708043209 /nfs/dbraw/zinc/04/32/09/708043209.db2.gz ZWQZMKGMVKNWHP-OAHLLOKOSA-N 2 2 334.489 1.794 20 0 EDADLP Cc1csc(C[N@@H+]2CC=C(CNC(=O)[C@H]3CCC[NH+]3C)CC2)n1 ZINC001000523941 708043212 /nfs/dbraw/zinc/04/32/12/708043212.db2.gz ZWQZMKGMVKNWHP-OAHLLOKOSA-N 2 2 334.489 1.794 20 0 EDADLP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032800820 708083674 /nfs/dbraw/zinc/08/36/74/708083674.db2.gz ZNCXPEBCJPXQGY-ROUUACIJSA-N 2 2 328.460 1.743 20 0 EDADLP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032800820 708083676 /nfs/dbraw/zinc/08/36/76/708083676.db2.gz ZNCXPEBCJPXQGY-ROUUACIJSA-N 2 2 328.460 1.743 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033581064 708262580 /nfs/dbraw/zinc/26/25/80/708262580.db2.gz IIUOWCQVHCGZST-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033581064 708262584 /nfs/dbraw/zinc/26/25/84/708262584.db2.gz IIUOWCQVHCGZST-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033581064 708262588 /nfs/dbraw/zinc/26/25/88/708262588.db2.gz IIUOWCQVHCGZST-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033581064 708262590 /nfs/dbraw/zinc/26/25/90/708262590.db2.gz IIUOWCQVHCGZST-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033591382 708289037 /nfs/dbraw/zinc/28/90/37/708289037.db2.gz TVWNQHUMEBPFKT-SJLPKXTDSA-N 2 2 348.491 1.437 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033591382 708289040 /nfs/dbraw/zinc/28/90/40/708289040.db2.gz TVWNQHUMEBPFKT-SJLPKXTDSA-N 2 2 348.491 1.437 20 0 EDADLP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC001033621476 708355047 /nfs/dbraw/zinc/35/50/47/708355047.db2.gz WMBCBICQTBJWDV-INIZCTEOSA-N 2 2 344.463 1.252 20 0 EDADLP CCn1cc(CC[N@H+]2CC[C@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC001033621476 708355050 /nfs/dbraw/zinc/35/50/50/708355050.db2.gz WMBCBICQTBJWDV-INIZCTEOSA-N 2 2 344.463 1.252 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)sc1C ZINC001033664915 708446955 /nfs/dbraw/zinc/44/69/55/708446955.db2.gz KJYWVBXMYKHEMC-OAHLLOKOSA-N 2 2 347.488 1.998 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)sc1C ZINC001033664915 708446956 /nfs/dbraw/zinc/44/69/56/708446956.db2.gz KJYWVBXMYKHEMC-OAHLLOKOSA-N 2 2 347.488 1.998 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033665597 708449064 /nfs/dbraw/zinc/44/90/64/708449064.db2.gz PRSJKOZAICWIBP-GJZGRUSLSA-N 2 2 332.448 1.536 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033665597 708449065 /nfs/dbraw/zinc/44/90/65/708449065.db2.gz PRSJKOZAICWIBP-GJZGRUSLSA-N 2 2 332.448 1.536 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001033665597 708449066 /nfs/dbraw/zinc/44/90/66/708449066.db2.gz PRSJKOZAICWIBP-GJZGRUSLSA-N 2 2 332.448 1.536 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001033665597 708449067 /nfs/dbraw/zinc/44/90/67/708449067.db2.gz PRSJKOZAICWIBP-GJZGRUSLSA-N 2 2 332.448 1.536 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033684143 708496702 /nfs/dbraw/zinc/49/67/02/708496702.db2.gz DRYFESSSQKRTIE-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033684143 708496704 /nfs/dbraw/zinc/49/67/04/708496704.db2.gz DRYFESSSQKRTIE-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033684143 708496707 /nfs/dbraw/zinc/49/67/07/708496707.db2.gz DRYFESSSQKRTIE-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033684143 708496710 /nfs/dbraw/zinc/49/67/10/708496710.db2.gz DRYFESSSQKRTIE-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001033789967 708700748 /nfs/dbraw/zinc/70/07/48/708700748.db2.gz RUSIJMWHIBPMFT-WMZOPIPTSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001033789967 708700749 /nfs/dbraw/zinc/70/07/49/708700749.db2.gz RUSIJMWHIBPMFT-WMZOPIPTSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001033789967 708700750 /nfs/dbraw/zinc/70/07/50/708700750.db2.gz RUSIJMWHIBPMFT-WMZOPIPTSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001033789967 708700751 /nfs/dbraw/zinc/70/07/51/708700751.db2.gz RUSIJMWHIBPMFT-WMZOPIPTSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033829932 708850684 /nfs/dbraw/zinc/85/06/84/708850684.db2.gz DAQXJDRCRITUGK-JKSUJKDBSA-N 2 2 348.516 1.908 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033829932 708850687 /nfs/dbraw/zinc/85/06/87/708850687.db2.gz DAQXJDRCRITUGK-JKSUJKDBSA-N 2 2 348.516 1.908 20 0 EDADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2cnns2)CC1 ZINC001005400058 708886958 /nfs/dbraw/zinc/88/69/58/708886958.db2.gz YOMNXHGDQRYQRR-INIZCTEOSA-N 2 2 349.504 1.303 20 0 EDADLP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001033880677 708977533 /nfs/dbraw/zinc/97/75/33/708977533.db2.gz ZBWMQBBDMPOTPV-ZFWWWQNUSA-N 2 2 343.431 1.053 20 0 EDADLP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001033880677 708977537 /nfs/dbraw/zinc/97/75/37/708977537.db2.gz ZBWMQBBDMPOTPV-ZFWWWQNUSA-N 2 2 343.431 1.053 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001034012279 709225394 /nfs/dbraw/zinc/22/53/94/709225394.db2.gz DVFUUWHKNZEFLO-MRXNPFEDSA-N 2 2 346.475 1.810 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001034012279 709225398 /nfs/dbraw/zinc/22/53/98/709225398.db2.gz DVFUUWHKNZEFLO-MRXNPFEDSA-N 2 2 346.475 1.810 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001034039937 709272864 /nfs/dbraw/zinc/27/28/64/709272864.db2.gz NXYFSDLIHWZKFQ-UONOGXRCSA-N 2 2 336.436 1.058 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001034039937 709272867 /nfs/dbraw/zinc/27/28/67/709272867.db2.gz NXYFSDLIHWZKFQ-UONOGXRCSA-N 2 2 336.436 1.058 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001034039937 709272870 /nfs/dbraw/zinc/27/28/70/709272870.db2.gz NXYFSDLIHWZKFQ-UONOGXRCSA-N 2 2 336.436 1.058 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001034039937 709272873 /nfs/dbraw/zinc/27/28/73/709272873.db2.gz NXYFSDLIHWZKFQ-UONOGXRCSA-N 2 2 336.436 1.058 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)nn1C ZINC001034139014 709388703 /nfs/dbraw/zinc/38/87/03/709388703.db2.gz QSKAOYVXQHJRJR-DOTOQJQBSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)nn1C ZINC001034139014 709388705 /nfs/dbraw/zinc/38/87/05/709388705.db2.gz QSKAOYVXQHJRJR-DOTOQJQBSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1C ZINC001034139014 709388708 /nfs/dbraw/zinc/38/87/08/709388708.db2.gz QSKAOYVXQHJRJR-DOTOQJQBSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1C ZINC001034139014 709388711 /nfs/dbraw/zinc/38/87/11/709388711.db2.gz QSKAOYVXQHJRJR-DOTOQJQBSA-N 2 2 333.480 1.293 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)CC[N@@H+]1C ZINC001002852015 709461957 /nfs/dbraw/zinc/46/19/57/709461957.db2.gz NSBSWHMPKCOBDO-CZUORRHYSA-N 2 2 346.475 1.973 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)CC[N@H+]1C ZINC001002852015 709461958 /nfs/dbraw/zinc/46/19/58/709461958.db2.gz NSBSWHMPKCOBDO-CZUORRHYSA-N 2 2 346.475 1.973 20 0 EDADLP CCc1cc(N(C)[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061175417 709473214 /nfs/dbraw/zinc/47/32/14/709473214.db2.gz LMLJHDOMVZFNFQ-DLBZAZTESA-N 2 2 345.491 1.869 20 0 EDADLP CCc1cc(N(C)[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061175417 709473215 /nfs/dbraw/zinc/47/32/15/709473215.db2.gz LMLJHDOMVZFNFQ-DLBZAZTESA-N 2 2 345.491 1.869 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCCC[N@H+](C[C@@H]3CCOC3)C2)c[nH+]1 ZINC001034260768 709648034 /nfs/dbraw/zinc/64/80/34/709648034.db2.gz NRDXYXWJRCOCNL-IRXDYDNUSA-N 2 2 348.491 1.934 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCCC[N@@H+](C[C@@H]3CCOC3)C2)c[nH+]1 ZINC001034260768 709648038 /nfs/dbraw/zinc/64/80/38/709648038.db2.gz NRDXYXWJRCOCNL-IRXDYDNUSA-N 2 2 348.491 1.934 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001002956064 709658708 /nfs/dbraw/zinc/65/87/08/709658708.db2.gz PGONZQZIJKIRHF-MRXNPFEDSA-N 2 2 334.464 1.938 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001002956064 709658711 /nfs/dbraw/zinc/65/87/11/709658711.db2.gz PGONZQZIJKIRHF-MRXNPFEDSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034271139 709677722 /nfs/dbraw/zinc/67/77/22/709677722.db2.gz LSMHEBMQDPOWFY-HZPDHXFCSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034271139 709677724 /nfs/dbraw/zinc/67/77/24/709677724.db2.gz LSMHEBMQDPOWFY-HZPDHXFCSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034271139 709677725 /nfs/dbraw/zinc/67/77/25/709677725.db2.gz LSMHEBMQDPOWFY-HZPDHXFCSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034271139 709677726 /nfs/dbraw/zinc/67/77/26/709677726.db2.gz LSMHEBMQDPOWFY-HZPDHXFCSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)nn1C ZINC001034271471 709678137 /nfs/dbraw/zinc/67/81/37/709678137.db2.gz NCBYWQQSAGPSAV-WMZOPIPTSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)nn1C ZINC001034271471 709678138 /nfs/dbraw/zinc/67/81/38/709678138.db2.gz NCBYWQQSAGPSAV-WMZOPIPTSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1C ZINC001034271471 709678139 /nfs/dbraw/zinc/67/81/39/709678139.db2.gz NCBYWQQSAGPSAV-WMZOPIPTSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1C ZINC001034271471 709678140 /nfs/dbraw/zinc/67/81/40/709678140.db2.gz NCBYWQQSAGPSAV-WMZOPIPTSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001034310332 709753413 /nfs/dbraw/zinc/75/34/13/709753413.db2.gz WJASUIWYORSBSE-MRXNPFEDSA-N 2 2 345.447 1.967 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2nc(C)oc2C)C1 ZINC001034310332 709753416 /nfs/dbraw/zinc/75/34/16/709753416.db2.gz WJASUIWYORSBSE-MRXNPFEDSA-N 2 2 345.447 1.967 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001034462888 710031588 /nfs/dbraw/zinc/03/15/88/710031588.db2.gz PNCYMTILGDVBOB-QGZVFWFLSA-N 2 2 347.507 1.623 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001034462888 710031590 /nfs/dbraw/zinc/03/15/90/710031590.db2.gz PNCYMTILGDVBOB-QGZVFWFLSA-N 2 2 347.507 1.623 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)nc1 ZINC001003161911 710072016 /nfs/dbraw/zinc/07/20/16/710072016.db2.gz ZSEQNSRVRWEVOU-MRXNPFEDSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC001003161911 710072022 /nfs/dbraw/zinc/07/20/22/710072022.db2.gz ZSEQNSRVRWEVOU-MRXNPFEDSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003168014 710079883 /nfs/dbraw/zinc/07/98/83/710079883.db2.gz QTGWJMOTERWZHY-IUODEOHRSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003168014 710079888 /nfs/dbraw/zinc/07/98/88/710079888.db2.gz QTGWJMOTERWZHY-IUODEOHRSA-N 2 2 335.452 1.504 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](CCCO)C1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001034491934 710113412 /nfs/dbraw/zinc/11/34/12/710113412.db2.gz JJRLVBRJTXHDIP-OAHLLOKOSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](CCCO)C1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001034491934 710113413 /nfs/dbraw/zinc/11/34/13/710113413.db2.gz JJRLVBRJTXHDIP-OAHLLOKOSA-N 2 2 343.431 1.234 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](CCC(F)(F)F)C1 ZINC001034483430 710127577 /nfs/dbraw/zinc/12/75/77/710127577.db2.gz DAWHQUVKCSQEPK-LBPRGKRZSA-N 2 2 332.370 1.886 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](CCC(F)(F)F)C1 ZINC001034483430 710127579 /nfs/dbraw/zinc/12/75/79/710127579.db2.gz DAWHQUVKCSQEPK-LBPRGKRZSA-N 2 2 332.370 1.886 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](Cc2cccnc2)C1 ZINC001034503033 710144246 /nfs/dbraw/zinc/14/42/46/710144246.db2.gz LTJWBMGXVFTRFE-INIZCTEOSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cccnc2)C1 ZINC001034503033 710144248 /nfs/dbraw/zinc/14/42/48/710144248.db2.gz LTJWBMGXVFTRFE-INIZCTEOSA-N 2 2 327.432 1.827 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1 ZINC001034523748 710171814 /nfs/dbraw/zinc/17/18/14/710171814.db2.gz BIPCXVMURGQDQP-HZPDHXFCSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)nn1 ZINC001034523748 710171815 /nfs/dbraw/zinc/17/18/15/710171815.db2.gz BIPCXVMURGQDQP-HZPDHXFCSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001034523748 710171818 /nfs/dbraw/zinc/17/18/18/710171818.db2.gz BIPCXVMURGQDQP-HZPDHXFCSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001034523748 710171819 /nfs/dbraw/zinc/17/18/19/710171819.db2.gz BIPCXVMURGQDQP-HZPDHXFCSA-N 2 2 348.495 1.281 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001034524977 710174810 /nfs/dbraw/zinc/17/48/10/710174810.db2.gz JQLUHTYJRLVQSJ-LSDHHAIUSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001034524977 710174814 /nfs/dbraw/zinc/17/48/14/710174814.db2.gz JQLUHTYJRLVQSJ-LSDHHAIUSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cs1 ZINC001034524977 710174815 /nfs/dbraw/zinc/17/48/15/710174815.db2.gz JQLUHTYJRLVQSJ-LSDHHAIUSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cs1 ZINC001034524977 710174819 /nfs/dbraw/zinc/17/48/19/710174819.db2.gz JQLUHTYJRLVQSJ-LSDHHAIUSA-N 2 2 336.505 1.874 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525212 710174963 /nfs/dbraw/zinc/17/49/63/710174963.db2.gz KJNNAFAMXYBPKU-JKSUJKDBSA-N 2 2 345.491 1.252 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525212 710174964 /nfs/dbraw/zinc/17/49/64/710174964.db2.gz KJNNAFAMXYBPKU-JKSUJKDBSA-N 2 2 345.491 1.252 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525212 710174965 /nfs/dbraw/zinc/17/49/65/710174965.db2.gz KJNNAFAMXYBPKU-JKSUJKDBSA-N 2 2 345.491 1.252 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525212 710174966 /nfs/dbraw/zinc/17/49/66/710174966.db2.gz KJNNAFAMXYBPKU-JKSUJKDBSA-N 2 2 345.491 1.252 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC001061764270 710286044 /nfs/dbraw/zinc/28/60/44/710286044.db2.gz YPOCKOZKRYFWDA-HYVNUMGLSA-N 2 2 345.491 1.685 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC001061764270 710286046 /nfs/dbraw/zinc/28/60/46/710286046.db2.gz YPOCKOZKRYFWDA-HYVNUMGLSA-N 2 2 345.491 1.685 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001003716900 710505049 /nfs/dbraw/zinc/50/50/49/710505049.db2.gz QJSDVZSGCZSHPA-AWEZNQCLSA-N 2 2 349.479 1.064 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001032945920 710925817 /nfs/dbraw/zinc/92/58/17/710925817.db2.gz RDVLYFQJWWDHRE-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001032945920 710925822 /nfs/dbraw/zinc/92/58/22/710925822.db2.gz RDVLYFQJWWDHRE-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001032945920 710925826 /nfs/dbraw/zinc/92/58/26/710925826.db2.gz RDVLYFQJWWDHRE-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001032945920 710925831 /nfs/dbraw/zinc/92/58/31/710925831.db2.gz RDVLYFQJWWDHRE-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975378 711064816 /nfs/dbraw/zinc/06/48/16/711064816.db2.gz JBTSJNFFGJBHRA-QZTJIDSGSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975378 711064819 /nfs/dbraw/zinc/06/48/19/711064819.db2.gz JBTSJNFFGJBHRA-QZTJIDSGSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001032975378 711064821 /nfs/dbraw/zinc/06/48/21/711064821.db2.gz JBTSJNFFGJBHRA-QZTJIDSGSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001032975378 711064824 /nfs/dbraw/zinc/06/48/24/711064824.db2.gz JBTSJNFFGJBHRA-QZTJIDSGSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001034786627 711091380 /nfs/dbraw/zinc/09/13/80/711091380.db2.gz OQEPQEUEJURROL-HDJSIYSDSA-N 2 2 331.420 1.774 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCCO2)CC1 ZINC001034786674 711091627 /nfs/dbraw/zinc/09/16/27/711091627.db2.gz QIZXELUKIAVNGU-BZUAXINKSA-N 2 2 334.464 1.847 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC001034793161 711122030 /nfs/dbraw/zinc/12/20/30/711122030.db2.gz QTHMHIVFGOZFDV-CQDKDKBSSA-N 2 2 346.435 1.661 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC001061365145 711124077 /nfs/dbraw/zinc/12/40/77/711124077.db2.gz ZDZYIQQHTMRMMQ-JKSUJKDBSA-N 2 2 345.491 1.945 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC001061365145 711124082 /nfs/dbraw/zinc/12/40/82/711124082.db2.gz ZDZYIQQHTMRMMQ-JKSUJKDBSA-N 2 2 345.491 1.945 20 0 EDADLP CCn1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001034919756 711376914 /nfs/dbraw/zinc/37/69/14/711376914.db2.gz DCYAKXLICXTREV-CQSZACIVSA-N 2 2 345.451 1.043 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001034943700 711397819 /nfs/dbraw/zinc/39/78/19/711397819.db2.gz JIQWBRFABBJBTJ-DOTOQJQBSA-N 2 2 346.475 1.379 20 0 EDADLP Cc1nnsc1C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001004153318 711550757 /nfs/dbraw/zinc/55/07/57/711550757.db2.gz ZRUZRLIZOKSONP-UHFFFAOYSA-N 2 2 334.449 1.132 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3c(F)cccc3F)CC2)C1 ZINC001004145080 711553582 /nfs/dbraw/zinc/55/35/82/711553582.db2.gz SJPYJUFDERFFEF-CYBMUJFWSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3c(F)cccc3F)CC2)C1 ZINC001004145080 711553585 /nfs/dbraw/zinc/55/35/85/711553585.db2.gz SJPYJUFDERFFEF-CYBMUJFWSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3coc(C4CC4)n3)CC2)C1 ZINC001004150785 711566816 /nfs/dbraw/zinc/56/68/16/711566816.db2.gz TWQZTOVDVIUNCO-AWEZNQCLSA-N 2 2 332.448 1.584 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3coc(C4CC4)n3)CC2)C1 ZINC001004150785 711566818 /nfs/dbraw/zinc/56/68/18/711566818.db2.gz TWQZTOVDVIUNCO-AWEZNQCLSA-N 2 2 332.448 1.584 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001004162125 711589996 /nfs/dbraw/zinc/58/99/96/711589996.db2.gz YJXRBUREUXAYKS-UHFFFAOYSA-N 2 2 342.447 1.115 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004582351 712015269 /nfs/dbraw/zinc/01/52/69/712015269.db2.gz VGIWIZBIMRVISZ-WMLDXEAASA-N 2 2 334.464 1.690 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004582351 712015270 /nfs/dbraw/zinc/01/52/70/712015270.db2.gz VGIWIZBIMRVISZ-WMLDXEAASA-N 2 2 334.464 1.690 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642838 712128975 /nfs/dbraw/zinc/12/89/75/712128975.db2.gz RHKCVKKBEKSVMC-SOUVJXGZSA-N 2 2 342.443 1.728 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642838 712128976 /nfs/dbraw/zinc/12/89/76/712128976.db2.gz RHKCVKKBEKSVMC-SOUVJXGZSA-N 2 2 342.443 1.728 20 0 EDADLP CCc1nc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001061543039 712309325 /nfs/dbraw/zinc/30/93/25/712309325.db2.gz UCPWJXHSQRTDJC-HUUCEWRRSA-N 2 2 331.464 1.384 20 0 EDADLP CCc1nc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001061543039 712309327 /nfs/dbraw/zinc/30/93/27/712309327.db2.gz UCPWJXHSQRTDJC-HUUCEWRRSA-N 2 2 331.464 1.384 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000558353410 306237080 /nfs/dbraw/zinc/23/70/80/306237080.db2.gz KVUUIKTVJDRAHW-HNNXBMFYSA-N 2 2 347.488 1.129 20 0 EDADLP CN(C)[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1c[nH+]cn1C ZINC000343423666 282166369 /nfs/dbraw/zinc/16/63/69/282166369.db2.gz RVHOGTMPCKJRTN-QGZVFWFLSA-N 2 2 333.480 1.500 20 0 EDADLP CN(C)[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1c[nH+]cn1C ZINC000343423666 282166371 /nfs/dbraw/zinc/16/63/71/282166371.db2.gz RVHOGTMPCKJRTN-QGZVFWFLSA-N 2 2 333.480 1.500 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)cc[nH+]1 ZINC000371930146 282186526 /nfs/dbraw/zinc/18/65/26/282186526.db2.gz HAJCAKMSOYNJKV-JKSUJKDBSA-N 2 2 329.448 1.308 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cc[nH+]1 ZINC000371930146 282186529 /nfs/dbraw/zinc/18/65/29/282186529.db2.gz HAJCAKMSOYNJKV-JKSUJKDBSA-N 2 2 329.448 1.308 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000173099957 282222838 /nfs/dbraw/zinc/22/28/38/282222838.db2.gz GDDUBHGTKCPJSZ-KRWDZBQOSA-N 2 2 325.497 1.726 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)n1 ZINC000173946713 529930221 /nfs/dbraw/zinc/93/02/21/529930221.db2.gz XZRZESFOEZBSMQ-HOTGVXAUSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)n1 ZINC000173946713 529930222 /nfs/dbraw/zinc/93/02/22/529930222.db2.gz XZRZESFOEZBSMQ-HOTGVXAUSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1ccc(N2CCC[C@H]([NH+](C)CC[C@@H]3CCCC[N@@H+]3C)C2=O)n1 ZINC000173946713 529930224 /nfs/dbraw/zinc/93/02/24/529930224.db2.gz XZRZESFOEZBSMQ-HOTGVXAUSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1ccc(N2CCC[C@H]([NH+](C)CC[C@@H]3CCCC[N@H+]3C)C2=O)n1 ZINC000173946713 529930225 /nfs/dbraw/zinc/93/02/25/529930225.db2.gz XZRZESFOEZBSMQ-HOTGVXAUSA-N 2 2 333.480 1.722 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C[C@H](O)C[NH3+] ZINC000420351707 282354974 /nfs/dbraw/zinc/35/49/74/282354974.db2.gz KQASPABWYAWQPG-MJGOQNOKSA-N 2 2 333.476 1.676 20 0 EDADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCCC1)C[C@H](O)C[NH3+] ZINC000420351707 282354977 /nfs/dbraw/zinc/35/49/77/282354977.db2.gz KQASPABWYAWQPG-MJGOQNOKSA-N 2 2 333.476 1.676 20 0 EDADLP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093188912 539415489 /nfs/dbraw/zinc/41/54/89/539415489.db2.gz DERMWIIJMXPMSB-QGZVFWFLSA-N 2 2 330.476 1.491 20 0 EDADLP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093188912 539415492 /nfs/dbraw/zinc/41/54/92/539415492.db2.gz DERMWIIJMXPMSB-QGZVFWFLSA-N 2 2 330.476 1.491 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093394713 539505940 /nfs/dbraw/zinc/50/59/40/539505940.db2.gz BHAJUNIAQZFPHX-UHFFFAOYSA-N 3 2 349.519 1.906 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093394713 539505946 /nfs/dbraw/zinc/50/59/46/539505946.db2.gz BHAJUNIAQZFPHX-UHFFFAOYSA-N 3 2 349.519 1.906 20 0 EDADLP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1c(F)cncc1F ZINC000560507576 306272818 /nfs/dbraw/zinc/27/28/18/306272818.db2.gz BWTZXEFYKOUGJZ-NSHDSACASA-N 2 2 338.402 1.753 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000434829207 539562819 /nfs/dbraw/zinc/56/28/19/539562819.db2.gz PIASBQGDQCHKSX-WBVHZDCISA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000434829207 539562823 /nfs/dbraw/zinc/56/28/23/539562823.db2.gz PIASBQGDQCHKSX-WBVHZDCISA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H]1CCN(c2nc(N3CCOCC3)cc[nH+]2)C[C@@H]1n1cc[nH+]c1 ZINC000154239893 539570717 /nfs/dbraw/zinc/57/07/17/539570717.db2.gz YHMCVNABUSSULA-GJZGRUSLSA-N 2 2 328.420 1.597 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H](O)c2ccsc2)CC1 ZINC000179306047 232893796 /nfs/dbraw/zinc/89/37/96/232893796.db2.gz IIJOQTBJFOFRGQ-HNNXBMFYSA-N 2 2 340.493 1.107 20 0 EDADLP CN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC([NH3+])C1 ZINC000561145511 306282760 /nfs/dbraw/zinc/28/27/60/306282760.db2.gz OOKGUAAMFMOZQP-JCYILVPMSA-N 2 2 332.448 1.019 20 0 EDADLP CN(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC([NH3+])C1 ZINC000561145511 306282761 /nfs/dbraw/zinc/28/27/61/306282761.db2.gz OOKGUAAMFMOZQP-JCYILVPMSA-N 2 2 332.448 1.019 20 0 EDADLP COCC(COC)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000412434231 304008001 /nfs/dbraw/zinc/00/80/01/304008001.db2.gz GSMIOAZSJGZZDO-OAGGEKHMSA-N 2 2 341.496 1.053 20 0 EDADLP COc1cc(C)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000339358190 539708177 /nfs/dbraw/zinc/70/81/77/539708177.db2.gz MKFACVICFNTSLN-XYPWUTKMSA-N 2 2 331.464 1.541 20 0 EDADLP COc1cc(C)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000339358190 539708180 /nfs/dbraw/zinc/70/81/80/539708180.db2.gz MKFACVICFNTSLN-XYPWUTKMSA-N 2 2 331.464 1.541 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000352745698 539926230 /nfs/dbraw/zinc/92/62/30/539926230.db2.gz WYCREHHCDNJMNM-HOTGVXAUSA-N 2 2 333.480 1.359 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000352745698 539926235 /nfs/dbraw/zinc/92/62/35/539926235.db2.gz WYCREHHCDNJMNM-HOTGVXAUSA-N 2 2 333.480 1.359 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000562794811 306309231 /nfs/dbraw/zinc/30/92/31/306309231.db2.gz QWEPFAKWMUFPOI-CRAIPNDOSA-N 2 2 346.475 1.459 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000356757163 539969351 /nfs/dbraw/zinc/96/93/51/539969351.db2.gz ZCWUEYCNGJYFAP-UHFFFAOYSA-N 2 2 341.459 1.639 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000563150282 306320394 /nfs/dbraw/zinc/32/03/94/306320394.db2.gz MMKHCNBWTVIMEM-HIFRSBDPSA-N 2 2 333.398 1.863 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000563150282 306320395 /nfs/dbraw/zinc/32/03/95/306320395.db2.gz MMKHCNBWTVIMEM-HIFRSBDPSA-N 2 2 333.398 1.863 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000276548156 540061584 /nfs/dbraw/zinc/06/15/84/540061584.db2.gz HFMZQRRHPKNKBC-HNNXBMFYSA-N 2 2 342.447 1.064 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000276548156 540061589 /nfs/dbraw/zinc/06/15/89/540061589.db2.gz HFMZQRRHPKNKBC-HNNXBMFYSA-N 2 2 342.447 1.064 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ncc[nH]1 ZINC000285824891 540081613 /nfs/dbraw/zinc/08/16/13/540081613.db2.gz WOXJPBIAQIRSCL-CQSZACIVSA-N 2 2 327.432 1.648 20 0 EDADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173298149 540094708 /nfs/dbraw/zinc/09/47/08/540094708.db2.gz JJZORIXLMXXVMD-AWEZNQCLSA-N 2 2 325.478 1.683 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000563270838 306325803 /nfs/dbraw/zinc/32/58/03/306325803.db2.gz BZKLZZYNJROHQV-LJQANCHMSA-N 4 2 340.556 1.085 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000563270838 306325804 /nfs/dbraw/zinc/32/58/04/306325804.db2.gz BZKLZZYNJROHQV-LJQANCHMSA-N 4 2 340.556 1.085 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000563376722 306330716 /nfs/dbraw/zinc/33/07/16/306330716.db2.gz LRXWBKWHSTUTKM-CQSZACIVSA-N 2 2 327.432 1.764 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000563376722 306330717 /nfs/dbraw/zinc/33/07/17/306330717.db2.gz LRXWBKWHSTUTKM-CQSZACIVSA-N 2 2 327.432 1.764 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000563390849 306331557 /nfs/dbraw/zinc/33/15/57/306331557.db2.gz XXZBMPBMVVQEDC-INIZCTEOSA-N 2 2 347.507 1.464 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000563390849 306331558 /nfs/dbraw/zinc/33/15/58/306331558.db2.gz XXZBMPBMVVQEDC-INIZCTEOSA-N 2 2 347.507 1.464 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)[C@@H](C)C1 ZINC000563408166 306331912 /nfs/dbraw/zinc/33/19/12/306331912.db2.gz RUDGGSJLSHVIGY-IYBDPMFKSA-N 2 2 346.475 1.469 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)[C@@H](C)C1 ZINC000563408166 306331913 /nfs/dbraw/zinc/33/19/13/306331913.db2.gz RUDGGSJLSHVIGY-IYBDPMFKSA-N 2 2 346.475 1.469 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246745039 291090035 /nfs/dbraw/zinc/09/00/35/291090035.db2.gz MYDZYMGTHCTLDZ-HZPDHXFCSA-N 2 2 339.480 1.108 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246745039 291090036 /nfs/dbraw/zinc/09/00/36/291090036.db2.gz MYDZYMGTHCTLDZ-HZPDHXFCSA-N 2 2 339.480 1.108 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000054806415 138145046 /nfs/dbraw/zinc/14/50/46/138145046.db2.gz IFFXIHVVUXQPKI-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000054806415 138145047 /nfs/dbraw/zinc/14/50/47/138145047.db2.gz IFFXIHVVUXQPKI-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000563539036 306338111 /nfs/dbraw/zinc/33/81/11/306338111.db2.gz LQRDXSUMZQDEAP-INIZCTEOSA-N 2 2 336.911 1.924 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000079294856 138261108 /nfs/dbraw/zinc/26/11/08/138261108.db2.gz SHXJUTHSYHCEOZ-INIZCTEOSA-N 2 2 331.464 1.788 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106531821 138303173 /nfs/dbraw/zinc/30/31/73/138303173.db2.gz MUUVSJXEQJYEHV-OAHLLOKOSA-N 2 2 335.452 1.759 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000116519038 138311953 /nfs/dbraw/zinc/31/19/53/138311953.db2.gz DUGOGJGJLUACSL-WBVHZDCISA-N 2 2 342.447 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000116519038 138311954 /nfs/dbraw/zinc/31/19/54/138311954.db2.gz DUGOGJGJLUACSL-WBVHZDCISA-N 2 2 342.447 1.488 20 0 EDADLP C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000125268836 138332868 /nfs/dbraw/zinc/33/28/68/138332868.db2.gz RIBNUUJMEXLIJC-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000362283258 283339310 /nfs/dbraw/zinc/33/93/10/283339310.db2.gz WHVZDFZRFSIWMT-CABCVRRESA-N 2 2 346.479 1.478 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000362283258 283339314 /nfs/dbraw/zinc/33/93/14/283339314.db2.gz WHVZDFZRFSIWMT-CABCVRRESA-N 2 2 346.479 1.478 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000362283258 283339316 /nfs/dbraw/zinc/33/93/16/283339316.db2.gz WHVZDFZRFSIWMT-CABCVRRESA-N 2 2 346.479 1.478 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000362283258 283339317 /nfs/dbraw/zinc/33/93/17/283339317.db2.gz WHVZDFZRFSIWMT-CABCVRRESA-N 2 2 346.479 1.478 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@H]1CCn2cc[nH+]c2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000369664190 155131823 /nfs/dbraw/zinc/13/18/23/155131823.db2.gz LIDJTPHSZSJUOX-DFGXFYAUSA-N 2 2 348.491 1.696 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@H]1CCn2cc[nH+]c2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000369664190 155131824 /nfs/dbraw/zinc/13/18/24/155131824.db2.gz LIDJTPHSZSJUOX-DFGXFYAUSA-N 2 2 348.491 1.696 20 0 EDADLP CC1CC[NH+](Cc2csc(NC(=O)C[C@@H]3C[NH2+]CCO3)n2)CC1 ZINC000564653669 306362189 /nfs/dbraw/zinc/36/21/89/306362189.db2.gz MTFWMOCFDMSNLH-CQSZACIVSA-N 2 2 338.477 1.692 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000564844373 306366873 /nfs/dbraw/zinc/36/68/73/306366873.db2.gz KRHLOYANFNZKFU-GFCCVEGCSA-N 2 2 332.275 1.691 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000070150138 202309259 /nfs/dbraw/zinc/30/92/59/202309259.db2.gz YBECJHHOHPMBHM-LBPRGKRZSA-N 2 2 341.253 1.986 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000070150138 202309262 /nfs/dbraw/zinc/30/92/62/202309262.db2.gz YBECJHHOHPMBHM-LBPRGKRZSA-N 2 2 341.253 1.986 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2c[nH]nc2-c2ccccn2)CC1 ZINC000565336352 306381418 /nfs/dbraw/zinc/38/14/18/306381418.db2.gz QZNKGIVKKOILGD-UHFFFAOYSA-N 2 2 342.447 1.228 20 0 EDADLP [NH3+][C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cscn1 ZINC000565419315 306383415 /nfs/dbraw/zinc/38/34/15/306383415.db2.gz MVWWIUYIYOMGFL-KRWDZBQOSA-N 2 2 344.484 1.966 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@H]2CCC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000565529015 306385993 /nfs/dbraw/zinc/38/59/93/306385993.db2.gz HMGVFJOVJYNRQZ-ZWKOTPCHSA-N 2 2 346.475 1.420 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCCn3cc[nH+]c3C)C2)CC1 ZINC000359901661 201116907 /nfs/dbraw/zinc/11/69/07/201116907.db2.gz RUOCEVLAYAEPOV-KRWDZBQOSA-N 2 2 348.495 1.003 20 0 EDADLP CC(=O)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n(C)c1 ZINC000050799316 201125975 /nfs/dbraw/zinc/12/59/75/201125975.db2.gz KNSJVJCXULBCSR-UHFFFAOYSA-N 2 2 346.475 1.516 20 0 EDADLP Cc1cc(C)n(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000050800299 201126330 /nfs/dbraw/zinc/12/63/30/201126330.db2.gz FYZZGLZSUJBGGF-UHFFFAOYSA-N 2 2 333.480 1.175 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000273114305 201255498 /nfs/dbraw/zinc/25/54/98/201255498.db2.gz YAFOYQIORNXEJB-LJQANCHMSA-N 2 2 336.476 1.920 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000273114305 201255503 /nfs/dbraw/zinc/25/55/03/201255503.db2.gz YAFOYQIORNXEJB-LJQANCHMSA-N 2 2 336.476 1.920 20 0 EDADLP COc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(Br)c1 ZINC000286373494 201333733 /nfs/dbraw/zinc/33/37/33/201333733.db2.gz GKCOEQRRBNSVJL-CQSZACIVSA-N 2 2 331.254 1.860 20 0 EDADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000566058518 306397238 /nfs/dbraw/zinc/39/72/38/306397238.db2.gz UKYDIBUYLPKUJC-BRWVUGGUSA-N 2 2 348.516 1.963 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@@H]1Oc1ccccc1 ZINC000566130948 306399246 /nfs/dbraw/zinc/39/92/46/306399246.db2.gz FVFAHXJZNWVGOT-KANFNMMFSA-N 2 2 334.460 1.656 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]1Oc1ccccc1 ZINC000566130948 306399247 /nfs/dbraw/zinc/39/92/47/306399247.db2.gz FVFAHXJZNWVGOT-KANFNMMFSA-N 2 2 334.460 1.656 20 0 EDADLP C[C@H](O)[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000414578555 304123184 /nfs/dbraw/zinc/12/31/84/304123184.db2.gz IERPALMJHRIBBU-JXFKEZNVSA-N 2 2 347.503 1.799 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)CC1CCCC1 ZINC000566792303 306428732 /nfs/dbraw/zinc/42/87/32/306428732.db2.gz QSERNVRLSYZJQW-GOSISDBHSA-N 2 2 347.507 1.520 20 0 EDADLP CCOc1cc(C[NH2+]C[C@@H](C)[NH2+]C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414998214 304149542 /nfs/dbraw/zinc/14/95/42/304149542.db2.gz ZCEAPSMCDQPKAM-KGLIPLIRSA-N 2 2 337.464 1.638 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000076001992 203330413 /nfs/dbraw/zinc/33/04/13/203330413.db2.gz VSNOMFCDKWEUKA-OAHLLOKOSA-N 2 2 329.444 1.946 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000076001992 203330415 /nfs/dbraw/zinc/33/04/15/203330415.db2.gz VSNOMFCDKWEUKA-OAHLLOKOSA-N 2 2 329.444 1.946 20 0 EDADLP c1c(CN2CCN(CC[NH+]3CCCCC3)CC2)[nH+]c2ccccn12 ZINC000077172299 203374818 /nfs/dbraw/zinc/37/48/18/203374818.db2.gz ZQQLNIPTMDRSKU-UHFFFAOYSA-N 2 2 327.476 1.938 20 0 EDADLP COc1ccccc1NC(=O)CN1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000077119960 203372377 /nfs/dbraw/zinc/37/23/77/203372377.db2.gz NEFUZESFWOUDGS-UHFFFAOYSA-N 2 2 343.431 1.148 20 0 EDADLP COc1ccc(Br)c(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415037957 304153266 /nfs/dbraw/zinc/15/32/66/304153266.db2.gz LPLTUQUOSDJGQG-CYBMUJFWSA-N 2 2 329.238 1.926 20 0 EDADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415095592 304159522 /nfs/dbraw/zinc/15/95/22/304159522.db2.gz NHDGZKMWSRWOJN-UKRRQHHQSA-N 2 2 339.867 1.655 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101543141 204009796 /nfs/dbraw/zinc/00/97/96/204009796.db2.gz POBYGEXVJCIAER-KRWDZBQOSA-N 2 2 349.500 1.631 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101543141 204009800 /nfs/dbraw/zinc/00/98/00/204009800.db2.gz POBYGEXVJCIAER-KRWDZBQOSA-N 2 2 349.500 1.631 20 0 EDADLP C[NH+]1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000101542963 204009944 /nfs/dbraw/zinc/00/99/44/204009944.db2.gz KXFMJDORMLVMRB-UHFFFAOYSA-N 2 2 348.516 1.421 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOc1ccccc1 ZINC000105079023 204132293 /nfs/dbraw/zinc/13/22/93/204132293.db2.gz FKWADQZPUWQAMH-UHFFFAOYSA-N 2 2 348.491 1.733 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOc1ccccc1 ZINC000105079023 204132297 /nfs/dbraw/zinc/13/22/97/204132297.db2.gz FKWADQZPUWQAMH-UHFFFAOYSA-N 2 2 348.491 1.733 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H]3CCOC3)CC2)c1 ZINC000106882450 204216573 /nfs/dbraw/zinc/21/65/73/204216573.db2.gz BSWWMMAIEZKBCF-GOSISDBHSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H]3CCOC3)CC2)c1 ZINC000106882450 204216575 /nfs/dbraw/zinc/21/65/75/204216575.db2.gz BSWWMMAIEZKBCF-GOSISDBHSA-N 2 2 331.460 1.360 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000106879555 204216648 /nfs/dbraw/zinc/21/66/48/204216648.db2.gz JEKKGKXEAZITNE-QGZVFWFLSA-N 2 2 347.459 1.060 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000106879555 204216651 /nfs/dbraw/zinc/21/66/51/204216651.db2.gz JEKKGKXEAZITNE-QGZVFWFLSA-N 2 2 347.459 1.060 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCOC1 ZINC000106880519 204217988 /nfs/dbraw/zinc/21/79/88/204217988.db2.gz TZZFAJRQUNTTMV-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCOC1 ZINC000106880519 204217993 /nfs/dbraw/zinc/21/79/93/204217993.db2.gz TZZFAJRQUNTTMV-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000105897052 204178574 /nfs/dbraw/zinc/17/85/74/204178574.db2.gz HLQFPZRACCOKGJ-KBPBESRZSA-N 2 2 335.452 1.705 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000105897052 204178579 /nfs/dbraw/zinc/17/85/79/204178579.db2.gz HLQFPZRACCOKGJ-KBPBESRZSA-N 2 2 335.452 1.705 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000106029604 204183270 /nfs/dbraw/zinc/18/32/70/204183270.db2.gz VXSHSHDLDXWPNI-UHFFFAOYSA-N 2 2 341.459 1.440 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000110917520 204327377 /nfs/dbraw/zinc/32/73/77/204327377.db2.gz MRLVMGYXIOOSNY-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000110917520 204327379 /nfs/dbraw/zinc/32/73/79/204327379.db2.gz MRLVMGYXIOOSNY-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CC(=O)Nc1ccccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119537194 204664255 /nfs/dbraw/zinc/66/42/55/204664255.db2.gz XIVGOIXXECXMJY-UHFFFAOYSA-N 2 2 330.476 1.858 20 0 EDADLP CC[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000127796613 205116863 /nfs/dbraw/zinc/11/68/63/205116863.db2.gz NPJNWLIJKUSWFX-CQSZACIVSA-N 2 2 325.478 1.511 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000129856307 205213862 /nfs/dbraw/zinc/21/38/62/205213862.db2.gz UUFUBBAITARCOU-HIFRSBDPSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)CC[N@H+]1C ZINC000129856307 205213865 /nfs/dbraw/zinc/21/38/65/205213865.db2.gz UUFUBBAITARCOU-HIFRSBDPSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[NH+]1CCSCC1 ZINC000132150607 205314514 /nfs/dbraw/zinc/31/45/14/205314514.db2.gz DKKOXKAYGCTYPJ-HOTGVXAUSA-N 2 2 348.516 1.724 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000111493244 220161479 /nfs/dbraw/zinc/16/14/79/220161479.db2.gz MTRPOHZHGPIKME-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000111493244 220161483 /nfs/dbraw/zinc/16/14/83/220161483.db2.gz MTRPOHZHGPIKME-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000111493244 220161486 /nfs/dbraw/zinc/16/14/86/220161486.db2.gz MTRPOHZHGPIKME-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000111493244 220161487 /nfs/dbraw/zinc/16/14/87/220161487.db2.gz MTRPOHZHGPIKME-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)c3csc(C[NH3+])n3)c[nH+]2)CCO1 ZINC000237663502 139057445 /nfs/dbraw/zinc/05/74/45/139057445.db2.gz PWYGTUQWUCTCQY-NSHDSACASA-N 2 2 347.444 1.152 20 0 EDADLP [NH3+]C1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCCCC1 ZINC000237891156 139063025 /nfs/dbraw/zinc/06/30/25/139063025.db2.gz VFCHQQMEBXBFQY-UHFFFAOYSA-N 2 2 341.459 1.640 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cc(F)cc(F)c2)C[C@@H](C)O1 ZINC000567682873 306459058 /nfs/dbraw/zinc/45/90/58/306459058.db2.gz ATSXMNWNOKKKLE-PBFPGSCMSA-N 2 2 328.403 1.567 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000112074960 220239237 /nfs/dbraw/zinc/23/92/37/220239237.db2.gz XSNMMSJOLSLPSP-JKSUJKDBSA-N 2 2 331.464 1.502 20 0 EDADLP C[C@@H](O)C[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000156347933 206071617 /nfs/dbraw/zinc/07/16/17/206071617.db2.gz NSBDVSUSXVQKCO-CQSZACIVSA-N 2 2 337.489 1.487 20 0 EDADLP C[C@@H](O)C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000156347933 206071622 /nfs/dbraw/zinc/07/16/22/206071622.db2.gz NSBDVSUSXVQKCO-CQSZACIVSA-N 2 2 337.489 1.487 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246400368 139107167 /nfs/dbraw/zinc/10/71/67/139107167.db2.gz QOMJLNBTQRHKRF-HOCLYGCPSA-N 2 2 347.459 1.361 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246400368 139107168 /nfs/dbraw/zinc/10/71/68/139107168.db2.gz QOMJLNBTQRHKRF-HOCLYGCPSA-N 2 2 347.459 1.361 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000246494997 139110703 /nfs/dbraw/zinc/11/07/03/139110703.db2.gz SRUZZHDHTBHZBY-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000246494997 139110704 /nfs/dbraw/zinc/11/07/04/139110704.db2.gz SRUZZHDHTBHZBY-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000246858337 139124508 /nfs/dbraw/zinc/12/45/08/139124508.db2.gz DUGOGJGJLUACSL-NVXWUHKLSA-N 2 2 342.447 1.488 20 0 EDADLP C[C@@H]1C[C@H](N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1C ZINC000248014333 139157331 /nfs/dbraw/zinc/15/73/31/139157331.db2.gz LOMZUIYYXZNBNU-AFYVEPGGSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H](N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC[NH+]1C ZINC000248014333 139157332 /nfs/dbraw/zinc/15/73/32/139157332.db2.gz LOMZUIYYXZNBNU-AFYVEPGGSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H](N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC[NH+]1C ZINC000248014333 139157333 /nfs/dbraw/zinc/15/73/33/139157333.db2.gz LOMZUIYYXZNBNU-AFYVEPGGSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@@H+]1C ZINC000248014333 139157334 /nfs/dbraw/zinc/15/73/34/139157334.db2.gz LOMZUIYYXZNBNU-AFYVEPGGSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1C ZINC000248014333 139157335 /nfs/dbraw/zinc/15/73/35/139157335.db2.gz LOMZUIYYXZNBNU-AFYVEPGGSA-N 2 2 331.504 1.942 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249585518 139196158 /nfs/dbraw/zinc/19/61/58/139196158.db2.gz SVLXZIIEGMPALI-ZWOKBUDYSA-N 2 2 347.503 1.858 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249585518 139196159 /nfs/dbraw/zinc/19/61/59/139196159.db2.gz SVLXZIIEGMPALI-ZWOKBUDYSA-N 2 2 347.503 1.858 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249585518 139196160 /nfs/dbraw/zinc/19/61/60/139196160.db2.gz SVLXZIIEGMPALI-ZWOKBUDYSA-N 2 2 347.503 1.858 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249585518 139196161 /nfs/dbraw/zinc/19/61/61/139196161.db2.gz SVLXZIIEGMPALI-ZWOKBUDYSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000261656415 139214959 /nfs/dbraw/zinc/21/49/59/139214959.db2.gz HVGUGFUZKNYCIV-HXUWFJFHSA-N 3 2 344.503 1.569 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000261656415 139214960 /nfs/dbraw/zinc/21/49/60/139214960.db2.gz HVGUGFUZKNYCIV-HXUWFJFHSA-N 3 2 344.503 1.569 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261863939 139232430 /nfs/dbraw/zinc/23/24/30/139232430.db2.gz SLLPWYNUSXLCQT-GLJUWKHASA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261863939 139232431 /nfs/dbraw/zinc/23/24/31/139232431.db2.gz SLLPWYNUSXLCQT-GLJUWKHASA-N 2 2 333.432 1.002 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000174952122 207075732 /nfs/dbraw/zinc/07/57/32/207075732.db2.gz OTGPJTRHSQXOOB-KBPBESRZSA-N 2 2 326.485 1.663 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000174952122 207075736 /nfs/dbraw/zinc/07/57/36/207075736.db2.gz OTGPJTRHSQXOOB-KBPBESRZSA-N 2 2 326.485 1.663 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000174952122 207075738 /nfs/dbraw/zinc/07/57/38/207075738.db2.gz OTGPJTRHSQXOOB-KBPBESRZSA-N 2 2 326.485 1.663 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000174952122 207075741 /nfs/dbraw/zinc/07/57/41/207075741.db2.gz OTGPJTRHSQXOOB-KBPBESRZSA-N 2 2 326.485 1.663 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000569349483 306504886 /nfs/dbraw/zinc/50/48/86/306504886.db2.gz ASOUSTPHAXJGHP-IUODEOHRSA-N 2 2 329.441 1.034 20 0 EDADLP CN(C)c1ccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)c[nH+]1 ZINC000417009656 251128316 /nfs/dbraw/zinc/12/83/16/251128316.db2.gz NXDBPRXNOWGHPM-UHFFFAOYSA-N 2 2 341.459 1.861 20 0 EDADLP CO[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000417272066 251151364 /nfs/dbraw/zinc/15/13/64/251151364.db2.gz UNDOSGBRZZZEPF-HOTGVXAUSA-N 2 2 343.431 1.520 20 0 EDADLP Cc1noc(C)c1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262341183 139271485 /nfs/dbraw/zinc/27/14/85/139271485.db2.gz HXFNJXGLVHYDGP-AWEZNQCLSA-N 2 2 343.431 1.809 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000262366207 139273576 /nfs/dbraw/zinc/27/35/76/139273576.db2.gz KFHJKYPKDMLSPB-UHFFFAOYSA-N 2 2 336.399 1.230 20 0 EDADLP CO[C@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@@H](C[NH3+])C1 ZINC000417695069 251231556 /nfs/dbraw/zinc/23/15/56/251231556.db2.gz TVMQNOOURZJPES-SJORKVTESA-N 2 2 343.431 1.520 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)N3CC[NH2+][C@H](C)[C@H]3C)CC2)[nH+]c1 ZINC000417731422 251246557 /nfs/dbraw/zinc/24/65/57/251246557.db2.gz NTWPQKNXFCYGSE-HUUCEWRRSA-N 2 2 331.464 1.751 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417828819 251288575 /nfs/dbraw/zinc/28/85/75/251288575.db2.gz PJGROCKEYJEFHK-KBPBESRZSA-N 2 2 340.493 1.419 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417828819 251288579 /nfs/dbraw/zinc/28/85/79/251288579.db2.gz PJGROCKEYJEFHK-KBPBESRZSA-N 2 2 340.493 1.419 20 0 EDADLP C[C@H](C(=O)NC1CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262515860 139283681 /nfs/dbraw/zinc/28/36/81/139283681.db2.gz SDEPFFGJCPTTOR-CQSZACIVSA-N 2 2 334.439 1.204 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000418119488 251333464 /nfs/dbraw/zinc/33/34/64/251333464.db2.gz XPQYHXAZFHIXNK-UHFFFAOYSA-N 2 2 340.464 1.722 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[NH2+]CC3CC3)CC2)c1 ZINC000262622096 139290880 /nfs/dbraw/zinc/29/08/80/139290880.db2.gz FHORYMYKYOFHFL-UHFFFAOYSA-N 2 2 347.459 1.348 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000262662143 139294250 /nfs/dbraw/zinc/29/42/50/139294250.db2.gz OCEOFTUZNKXZIT-KRWDZBQOSA-N 2 2 340.427 1.543 20 0 EDADLP [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000262665986 139294593 /nfs/dbraw/zinc/29/45/93/139294593.db2.gz JZIOQPXDYZEECQ-KSZLIROESA-N 2 2 331.460 1.174 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(C)(O)CC2)CC1 ZINC000177314135 207320208 /nfs/dbraw/zinc/32/02/08/207320208.db2.gz FXVKCELKZZWSSZ-UHFFFAOYSA-N 2 2 345.487 1.486 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(=O)n2ccsc2n1 ZINC000177385299 207330140 /nfs/dbraw/zinc/33/01/40/207330140.db2.gz XDRYRPKBXRRPLC-UHFFFAOYSA-N 2 2 349.504 1.214 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(=O)n2ccsc2n1 ZINC000177385299 207330144 /nfs/dbraw/zinc/33/01/44/207330144.db2.gz XDRYRPKBXRRPLC-UHFFFAOYSA-N 2 2 349.504 1.214 20 0 EDADLP CN(CC[N@H+](C)Cc1cc(=O)n2ccsc2n1)C1CC[NH+](C)CC1 ZINC000177385299 207330150 /nfs/dbraw/zinc/33/01/50/207330150.db2.gz XDRYRPKBXRRPLC-UHFFFAOYSA-N 2 2 349.504 1.214 20 0 EDADLP CN(CC[N@@H+](C)Cc1cc(=O)n2ccsc2n1)C1CC[NH+](C)CC1 ZINC000177385299 207330154 /nfs/dbraw/zinc/33/01/54/207330154.db2.gz XDRYRPKBXRRPLC-UHFFFAOYSA-N 2 2 349.504 1.214 20 0 EDADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000422888654 252012438 /nfs/dbraw/zinc/01/24/38/252012438.db2.gz DMSJMTMQIFITPT-FXAWDEMLSA-N 3 2 330.520 1.912 20 0 EDADLP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422893529 252013509 /nfs/dbraw/zinc/01/35/09/252013509.db2.gz ADGWHZUOSWDPSU-OALUTQOASA-N 3 2 333.476 1.484 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000422903835 252017846 /nfs/dbraw/zinc/01/78/46/252017846.db2.gz PBESVRDWRDOSHS-NVXWUHKLSA-N 2 2 346.406 1.703 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000422896762 252015540 /nfs/dbraw/zinc/01/55/40/252015540.db2.gz AXJMIQYOOULAQS-UWVAXJGDSA-N 3 2 347.503 1.764 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000422896762 252015541 /nfs/dbraw/zinc/01/55/41/252015541.db2.gz AXJMIQYOOULAQS-UWVAXJGDSA-N 3 2 347.503 1.764 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000422850890 251999560 /nfs/dbraw/zinc/99/95/60/251999560.db2.gz OJJQBOLICMCWIV-KRWDZBQOSA-N 3 2 327.513 1.613 20 0 EDADLP C[C@H](O)[C@](C)(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000423070938 252033429 /nfs/dbraw/zinc/03/34/29/252033429.db2.gz HAYBAHDOSQKAFR-QLIIJSOBSA-N 2 2 332.488 1.973 20 0 EDADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1Cl ZINC000423481694 252054720 /nfs/dbraw/zinc/05/47/20/252054720.db2.gz QLKQNHGYTSCWHR-NWDGAFQWSA-N 2 2 327.856 1.911 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@H](C[NH3+])C[C@H]1C)CC2 ZINC000423485322 252055435 /nfs/dbraw/zinc/05/54/35/252055435.db2.gz ZCKKYOGJIOMIGB-KGLIPLIRSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@H](C[NH3+])C[C@H]1C)CC2 ZINC000423485322 252055439 /nfs/dbraw/zinc/05/54/39/252055439.db2.gz ZCKKYOGJIOMIGB-KGLIPLIRSA-N 2 2 347.459 1.258 20 0 EDADLP Cc1cc(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc(C)[nH+]1 ZINC000423551223 252062617 /nfs/dbraw/zinc/06/26/17/252062617.db2.gz FUKQESRXTLDHFT-UHFFFAOYSA-N 2 2 338.411 1.599 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422912523 252019649 /nfs/dbraw/zinc/01/96/49/252019649.db2.gz WLYPHFBKTHBRHH-YJBOKZPZSA-N 3 2 332.492 1.598 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000423864804 252096153 /nfs/dbraw/zinc/09/61/53/252096153.db2.gz ZMVHWZFJUGPELF-HZPDHXFCSA-N 2 2 331.460 1.728 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000423864804 252096156 /nfs/dbraw/zinc/09/61/56/252096156.db2.gz ZMVHWZFJUGPELF-HZPDHXFCSA-N 2 2 331.460 1.728 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000423871502 252099064 /nfs/dbraw/zinc/09/90/64/252099064.db2.gz PQMXUVFSWCYFDP-CVEARBPZSA-N 2 2 327.432 1.244 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)c1 ZINC000423794320 252078031 /nfs/dbraw/zinc/07/80/31/252078031.db2.gz DFKPTMDYCSWVCF-OAHLLOKOSA-N 2 2 347.459 1.074 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424143945 252141475 /nfs/dbraw/zinc/14/14/75/252141475.db2.gz KHYHVUORBBKJTA-GFCCVEGCSA-N 2 2 341.358 1.438 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424143945 252141482 /nfs/dbraw/zinc/14/14/82/252141482.db2.gz KHYHVUORBBKJTA-GFCCVEGCSA-N 2 2 341.358 1.438 20 0 EDADLP Cc1cn2cc(NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)ccc2[nH+]1 ZINC000424160757 252150021 /nfs/dbraw/zinc/15/00/21/252150021.db2.gz UOFBOYJJVILRQY-CYBMUJFWSA-N 2 2 325.376 1.411 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424132475 252135174 /nfs/dbraw/zinc/13/51/74/252135174.db2.gz KQYPBDJRPMVOPB-OAHLLOKOSA-N 2 2 337.387 1.641 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000424295153 252191270 /nfs/dbraw/zinc/19/12/70/252191270.db2.gz QTHARADJWBKHCG-UPJWGTAASA-N 2 2 337.445 1.500 20 0 EDADLP Cn1cc([C@]2(C)C[N@H+](C[C@H](C[NH3+])c3ccc(F)cc3)CCO2)cn1 ZINC000424304307 252194224 /nfs/dbraw/zinc/19/42/24/252194224.db2.gz QSNWLNIGKDQIQJ-YJBOKZPZSA-N 2 2 332.423 1.849 20 0 EDADLP Cn1cc([C@]2(C)C[N@@H+](C[C@H](C[NH3+])c3ccc(F)cc3)CCO2)cn1 ZINC000424304307 252194228 /nfs/dbraw/zinc/19/42/28/252194228.db2.gz QSNWLNIGKDQIQJ-YJBOKZPZSA-N 2 2 332.423 1.849 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424334749 252197126 /nfs/dbraw/zinc/19/71/26/252197126.db2.gz ODOVQBLAXJZCJM-IAGOWNOFSA-N 2 2 346.475 1.967 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424388770 252206901 /nfs/dbraw/zinc/20/69/01/252206901.db2.gz ZNMRDAKWNQACQT-WMZOPIPTSA-N 2 2 333.476 1.482 20 0 EDADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)C[C@H]2C1 ZINC000424359812 252200131 /nfs/dbraw/zinc/20/01/31/252200131.db2.gz YWIBBGIFTKDHSP-WIXVFLEXSA-N 2 2 349.519 1.863 20 0 EDADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)C[C@H]2C1 ZINC000424359812 252200135 /nfs/dbraw/zinc/20/01/35/252200135.db2.gz YWIBBGIFTKDHSP-WIXVFLEXSA-N 2 2 349.519 1.863 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000424697998 252261569 /nfs/dbraw/zinc/26/15/69/252261569.db2.gz DVOHACHHPJVQQR-IRXDYDNUSA-N 2 2 325.497 1.580 20 0 EDADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000263039876 139319176 /nfs/dbraw/zinc/31/91/76/139319176.db2.gz SRLVOQZPPCRCAB-MJGOQNOKSA-N 2 2 331.460 1.944 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)ccc2[nH+]1 ZINC000415674596 304253788 /nfs/dbraw/zinc/25/37/88/304253788.db2.gz HWUCZHSVIWPIET-ZDUSSCGKSA-N 2 2 329.404 1.169 20 0 EDADLP O=C(CC[N@@H+]1C[C@@H]2C[C@H]1CS2)N1CCN(c2cccc[nH+]2)CC1 ZINC000459792879 255001828 /nfs/dbraw/zinc/00/18/28/255001828.db2.gz KBIXDTJCSNFYKA-GJZGRUSLSA-N 2 2 332.473 1.310 20 0 EDADLP O=C(CC[N@H+]1C[C@@H]2C[C@H]1CS2)N1CCN(c2cccc[nH+]2)CC1 ZINC000459792879 255001830 /nfs/dbraw/zinc/00/18/30/255001830.db2.gz KBIXDTJCSNFYKA-GJZGRUSLSA-N 2 2 332.473 1.310 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnnn2Cc2ccccc2)C[C@H](C)O1 ZINC000490566060 255092585 /nfs/dbraw/zinc/09/25/85/255092585.db2.gz GFFXRQQSINZFES-CALCHBBNSA-N 2 2 343.475 1.915 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnnn2Cc2ccccc2)C[C@H](C)O1 ZINC000490566060 255092587 /nfs/dbraw/zinc/09/25/87/255092587.db2.gz GFFXRQQSINZFES-CALCHBBNSA-N 2 2 343.475 1.915 20 0 EDADLP CO[C@@H]1CCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C[NH3+])C1 ZINC000493743065 255220344 /nfs/dbraw/zinc/22/03/44/255220344.db2.gz BZUJILLULVADJJ-SJJKRXNQSA-N 2 2 340.427 1.850 20 0 EDADLP CO[C@@H]1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C[NH3+])C1 ZINC000493743064 255220349 /nfs/dbraw/zinc/22/03/49/255220349.db2.gz BZUJILLULVADJJ-DSCOKBBTSA-N 2 2 340.427 1.850 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000493210283 255196978 /nfs/dbraw/zinc/19/69/78/255196978.db2.gz VCPFVTYMUAJVGT-MRINAFOASA-N 2 2 332.448 1.771 20 0 EDADLP C[C@@H]1C[N@H+](CC2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000493210283 255196979 /nfs/dbraw/zinc/19/69/79/255196979.db2.gz VCPFVTYMUAJVGT-MRINAFOASA-N 2 2 332.448 1.771 20 0 EDADLP CC[N@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000496272719 255373229 /nfs/dbraw/zinc/37/32/29/255373229.db2.gz IHVLCZOTSNTVQK-RBSFLKMASA-N 2 2 329.485 1.846 20 0 EDADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000496272719 255373230 /nfs/dbraw/zinc/37/32/30/255373230.db2.gz IHVLCZOTSNTVQK-RBSFLKMASA-N 2 2 329.485 1.846 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000154554701 224270094 /nfs/dbraw/zinc/27/00/94/224270094.db2.gz GUYJFPOZGLJYID-YOEHRIQHSA-N 2 2 337.489 1.971 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000154554701 224270097 /nfs/dbraw/zinc/27/00/97/224270097.db2.gz GUYJFPOZGLJYID-YOEHRIQHSA-N 2 2 337.489 1.971 20 0 EDADLP Cn1c2c([nH+]c1[C@@H]1CCCN1CC(=O)N1CC[NH+](C)CC1)CCCC2 ZINC000328629405 258030226 /nfs/dbraw/zinc/03/02/26/258030226.db2.gz IDKKXOKJWQNSMJ-KRWDZBQOSA-N 2 2 345.491 1.210 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000434464907 285367266 /nfs/dbraw/zinc/36/72/66/285367266.db2.gz IKGHUIGBMBUIII-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000434464907 285367273 /nfs/dbraw/zinc/36/72/73/285367273.db2.gz IKGHUIGBMBUIII-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000154554815 533420019 /nfs/dbraw/zinc/42/00/19/533420019.db2.gz GUYJFPOZGLJYID-PBHICJAKSA-N 2 2 337.489 1.971 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000154554815 533420025 /nfs/dbraw/zinc/42/00/25/533420025.db2.gz GUYJFPOZGLJYID-PBHICJAKSA-N 2 2 337.489 1.971 20 0 EDADLP CC(C)c1cc(N2CCN(C(=O)C[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000269941717 140022029 /nfs/dbraw/zinc/02/20/29/140022029.db2.gz GPVFWNWDCHYFAA-UHFFFAOYSA-N 2 2 333.480 1.934 20 0 EDADLP COc1cccc(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000270332426 140080602 /nfs/dbraw/zinc/08/06/02/140080602.db2.gz DUBXMSXHHIPUFE-UHFFFAOYSA-N 2 2 348.491 1.863 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000420157554 285612120 /nfs/dbraw/zinc/61/21/20/285612120.db2.gz OZJWDXKAZLUEHU-ZIAGYGMSSA-N 2 2 335.452 1.071 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000271655095 140327935 /nfs/dbraw/zinc/32/79/35/140327935.db2.gz CAWUVHXEVRBYFO-INIZCTEOSA-N 2 2 327.432 1.836 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271655095 140327937 /nfs/dbraw/zinc/32/79/37/140327937.db2.gz CAWUVHXEVRBYFO-INIZCTEOSA-N 2 2 327.432 1.836 20 0 EDADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)nc1 ZINC000271906409 140370471 /nfs/dbraw/zinc/37/04/71/140370471.db2.gz HVCOEDXHOKXZMO-UHFFFAOYSA-N 2 2 329.448 1.883 20 0 EDADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)nc1 ZINC000271906409 140370473 /nfs/dbraw/zinc/37/04/73/140370473.db2.gz HVCOEDXHOKXZMO-UHFFFAOYSA-N 2 2 329.448 1.883 20 0 EDADLP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000332396793 141174897 /nfs/dbraw/zinc/17/48/97/141174897.db2.gz PUQLZRAYZTUSHC-HZPDHXFCSA-N 2 2 337.489 1.996 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000332544082 141200173 /nfs/dbraw/zinc/20/01/73/141200173.db2.gz MCMMDNYXFSVWSO-HNNXBMFYSA-N 2 2 346.479 1.492 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC000333134583 141269704 /nfs/dbraw/zinc/26/97/04/141269704.db2.gz BJJGVMCHYXQGEQ-IAGOWNOFSA-N 2 2 345.491 1.654 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC000333134583 141269705 /nfs/dbraw/zinc/26/97/05/141269705.db2.gz BJJGVMCHYXQGEQ-IAGOWNOFSA-N 2 2 345.491 1.654 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)n1C ZINC000333475274 141323470 /nfs/dbraw/zinc/32/34/70/141323470.db2.gz DVXOYDKWNOKRDS-AWEZNQCLSA-N 2 2 334.468 1.256 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000333561018 141336967 /nfs/dbraw/zinc/33/69/67/141336967.db2.gz WIMSPWUMRPIMIJ-ZBFHGGJFSA-N 2 2 345.447 1.394 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000333561018 141336969 /nfs/dbraw/zinc/33/69/69/141336969.db2.gz WIMSPWUMRPIMIJ-ZBFHGGJFSA-N 2 2 345.447 1.394 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333577404 141339890 /nfs/dbraw/zinc/33/98/90/141339890.db2.gz NEDDBTGADQAVFY-JKSUJKDBSA-N 2 2 331.464 1.792 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333872859 141399149 /nfs/dbraw/zinc/39/91/49/141399149.db2.gz UWMHFCNUIPYZCJ-INMHGKMJSA-N 2 2 331.464 1.468 20 0 EDADLP COCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000339364888 142027948 /nfs/dbraw/zinc/02/79/48/142027948.db2.gz ILEWRQVMLNTXQW-UHFFFAOYSA-N 2 2 340.493 1.154 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000339364888 142027950 /nfs/dbraw/zinc/02/79/50/142027950.db2.gz ILEWRQVMLNTXQW-UHFFFAOYSA-N 2 2 340.493 1.154 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339779755 142153690 /nfs/dbraw/zinc/15/36/90/142153690.db2.gz UTEBIZRRQMPWOC-IEBWSBKVSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339779755 142153692 /nfs/dbraw/zinc/15/36/92/142153692.db2.gz UTEBIZRRQMPWOC-IEBWSBKVSA-N 2 2 345.487 1.739 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(F)cc2F)CC1 ZINC000340252390 142320156 /nfs/dbraw/zinc/32/01/56/142320156.db2.gz JQNNDACIRQEJPT-UHFFFAOYSA-N 2 2 340.418 1.790 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CCCC23CCCC3)CN1CC[NH+]1CCOCC1 ZINC000340303396 142335667 /nfs/dbraw/zinc/33/56/67/142335667.db2.gz SWQBRJSZQRCRHI-DLBZAZTESA-N 2 2 335.492 1.622 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000344733874 143004847 /nfs/dbraw/zinc/00/48/47/143004847.db2.gz WBTAOHCORFMRAQ-GJZGRUSLSA-N 2 2 325.522 1.757 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000344733874 143004848 /nfs/dbraw/zinc/00/48/48/143004848.db2.gz WBTAOHCORFMRAQ-GJZGRUSLSA-N 2 2 325.522 1.757 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[nH]1 ZINC000344974654 143033527 /nfs/dbraw/zinc/03/35/27/143033527.db2.gz BMVPMXHJBMWDOB-CXAGYDPISA-N 2 2 345.447 1.708 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[nH]1 ZINC000344974654 143033528 /nfs/dbraw/zinc/03/35/28/143033528.db2.gz BMVPMXHJBMWDOB-CXAGYDPISA-N 2 2 345.447 1.708 20 0 EDADLP COC(=O)c1coc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)c1 ZINC000344977115 143033944 /nfs/dbraw/zinc/03/39/44/143033944.db2.gz CMNREPJXZDKMGN-DYVFJYSZSA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1coc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)c1 ZINC000344977115 143033945 /nfs/dbraw/zinc/03/39/45/143033945.db2.gz CMNREPJXZDKMGN-DYVFJYSZSA-N 2 2 346.431 1.972 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000345590832 143109393 /nfs/dbraw/zinc/10/93/93/143109393.db2.gz RJLNCOINKQDZTB-NEWSRXKRSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000345590832 143109394 /nfs/dbraw/zinc/10/93/94/143109394.db2.gz RJLNCOINKQDZTB-NEWSRXKRSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000345788084 143133539 /nfs/dbraw/zinc/13/35/39/143133539.db2.gz QVVBHIXIXMOCMJ-NVXWUHKLSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000345788084 143133540 /nfs/dbraw/zinc/13/35/40/143133540.db2.gz QVVBHIXIXMOCMJ-NVXWUHKLSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC[NH+]1C ZINC000345788084 143133541 /nfs/dbraw/zinc/13/35/41/143133541.db2.gz QVVBHIXIXMOCMJ-NVXWUHKLSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC[NH+]1C ZINC000345788084 143133542 /nfs/dbraw/zinc/13/35/42/143133542.db2.gz QVVBHIXIXMOCMJ-NVXWUHKLSA-N 3 2 339.528 1.137 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2cn3ccccc3[nH+]2)[N@H+](C)C1 ZINC000345866832 143141301 /nfs/dbraw/zinc/14/13/01/143141301.db2.gz RBWRSLOJMKCVMM-HUUCEWRRSA-N 2 2 331.420 1.195 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2cn3ccccc3[nH+]2)[N@@H+](C)C1 ZINC000345866832 143141302 /nfs/dbraw/zinc/14/13/02/143141302.db2.gz RBWRSLOJMKCVMM-HUUCEWRRSA-N 2 2 331.420 1.195 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COCCc1ccccc1 ZINC000346108933 143168623 /nfs/dbraw/zinc/16/86/23/143168623.db2.gz OOZGBOJQICXZFZ-UHFFFAOYSA-N 2 2 347.503 1.730 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COCCc1ccccc1 ZINC000346108933 143168624 /nfs/dbraw/zinc/16/86/24/143168624.db2.gz OOZGBOJQICXZFZ-UHFFFAOYSA-N 2 2 347.503 1.730 20 0 EDADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000346168314 143174325 /nfs/dbraw/zinc/17/43/25/143174325.db2.gz IDSSCLJXNBTIRK-LBPRGKRZSA-N 2 2 325.459 1.943 20 0 EDADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000346168314 143174326 /nfs/dbraw/zinc/17/43/26/143174326.db2.gz IDSSCLJXNBTIRK-LBPRGKRZSA-N 2 2 325.459 1.943 20 0 EDADLP O=C([C@H]1CCCO1)N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346173449 143175005 /nfs/dbraw/zinc/17/50/05/143175005.db2.gz MEQJVWGVPWDVPI-MRXNPFEDSA-N 2 2 346.456 1.757 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000346234226 143181714 /nfs/dbraw/zinc/18/17/14/143181714.db2.gz JMIZHYVPWBAKJS-MRXNPFEDSA-N 2 2 336.480 1.966 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000346234226 143181715 /nfs/dbraw/zinc/18/17/15/143181715.db2.gz JMIZHYVPWBAKJS-MRXNPFEDSA-N 2 2 336.480 1.966 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000346279515 143186300 /nfs/dbraw/zinc/18/63/00/143186300.db2.gz QSBQTWNAFVUPIR-UHFFFAOYSA-N 2 2 326.444 1.887 20 0 EDADLP COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346515659 143212690 /nfs/dbraw/zinc/21/26/90/143212690.db2.gz CCCDKPYSUSXLLI-AWEZNQCLSA-N 2 2 344.415 1.544 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)[C@@H]2CCN(C3CC3)C2=O)CCC[NH+]1C ZINC000346885338 143256157 /nfs/dbraw/zinc/25/61/57/143256157.db2.gz NPVNLKNOEXYWCN-BMGDILEWSA-N 2 2 345.491 1.498 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)[C@@H]2CCN(C3CC3)C2=O)CCC[NH+]1C ZINC000346885338 143256158 /nfs/dbraw/zinc/25/61/58/143256158.db2.gz NPVNLKNOEXYWCN-BMGDILEWSA-N 2 2 345.491 1.498 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)[C@@H]2CCN(C3CC3)C2=O)CCC[N@@H+]1C ZINC000346885338 143256159 /nfs/dbraw/zinc/25/61/59/143256159.db2.gz NPVNLKNOEXYWCN-BMGDILEWSA-N 2 2 345.491 1.498 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)[C@@H]2CCN(C3CC3)C2=O)CCC[N@H+]1C ZINC000346885338 143256160 /nfs/dbraw/zinc/25/61/60/143256160.db2.gz NPVNLKNOEXYWCN-BMGDILEWSA-N 2 2 345.491 1.498 20 0 EDADLP O=C1C[C@H]([NH2+]CC[NH+]2CCCCC2)[C@H](c2cccnc2)N1C1CC1 ZINC000346929104 143262424 /nfs/dbraw/zinc/26/24/24/143262424.db2.gz NRJMVOGVXRIRSE-HKUYNNGSSA-N 2 2 328.460 1.962 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000347000751 143269714 /nfs/dbraw/zinc/26/97/14/143269714.db2.gz ZAEDLELKRPRHBR-HOCLYGCPSA-N 2 2 329.510 1.312 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000347000751 143269715 /nfs/dbraw/zinc/26/97/15/143269715.db2.gz ZAEDLELKRPRHBR-HOCLYGCPSA-N 2 2 329.510 1.312 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)[C@@H](C)C1 ZINC000347165118 143289943 /nfs/dbraw/zinc/28/99/43/143289943.db2.gz YKTGEDBGOFBDNL-ZENOOKHLSA-N 2 2 325.478 1.586 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)[C@@H](C)C1 ZINC000347165118 143289944 /nfs/dbraw/zinc/28/99/44/143289944.db2.gz YKTGEDBGOFBDNL-ZENOOKHLSA-N 2 2 325.478 1.586 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](CNC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000347869292 143372596 /nfs/dbraw/zinc/37/25/96/143372596.db2.gz VCNBEYOZBMPCEI-RHSMWYFYSA-N 2 2 330.436 1.206 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](CNC(=O)CCn2cc[nH+]c2)CCC[N@H+]1C ZINC000347869292 143372597 /nfs/dbraw/zinc/37/25/97/143372597.db2.gz VCNBEYOZBMPCEI-RHSMWYFYSA-N 2 2 330.436 1.206 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369790956 155179538 /nfs/dbraw/zinc/17/95/38/155179538.db2.gz PFXPBXKZJNJXLC-GDBMZVCRSA-N 2 2 340.537 1.692 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369790956 155179539 /nfs/dbraw/zinc/17/95/39/155179539.db2.gz PFXPBXKZJNJXLC-GDBMZVCRSA-N 2 2 340.537 1.692 20 0 EDADLP CCOC1CC2(C1)CC[N@H+](CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)C2 ZINC000495807523 286018504 /nfs/dbraw/zinc/01/85/04/286018504.db2.gz AWLASEYYBIHBFF-KVZIAJEVSA-N 2 2 349.475 1.752 20 0 EDADLP CCOC1CC2(C1)CC[N@@H+](CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)C2 ZINC000495807523 286018505 /nfs/dbraw/zinc/01/85/05/286018505.db2.gz AWLASEYYBIHBFF-KVZIAJEVSA-N 2 2 349.475 1.752 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416866174 304353075 /nfs/dbraw/zinc/35/30/75/304353075.db2.gz RFIGTFOGZSDNIV-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000573426501 306620398 /nfs/dbraw/zinc/62/03/98/306620398.db2.gz OXFIYCWGYYXOGD-PBHICJAKSA-N 2 2 332.448 1.638 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000416893957 304353818 /nfs/dbraw/zinc/35/38/18/304353818.db2.gz PZMLSDWHXDPFGK-ZIAGYGMSSA-N 2 2 333.823 1.906 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416894453 304353924 /nfs/dbraw/zinc/35/39/24/304353924.db2.gz QPBVEQQQFLSPFP-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000416893956 304354059 /nfs/dbraw/zinc/35/40/59/304354059.db2.gz PZMLSDWHXDPFGK-UONOGXRCSA-N 2 2 333.823 1.906 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+]1CCCCC1 ZINC000352800466 149170407 /nfs/dbraw/zinc/17/04/07/149170407.db2.gz PXWJLUOFKVFHLZ-MRXNPFEDSA-N 2 2 349.479 1.085 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCCCC1 ZINC000352800466 149170410 /nfs/dbraw/zinc/17/04/10/149170410.db2.gz PXWJLUOFKVFHLZ-MRXNPFEDSA-N 2 2 349.479 1.085 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3CSC[C@H]3C)CC2)c1 ZINC000352798755 149170605 /nfs/dbraw/zinc/17/06/05/149170605.db2.gz XLILEAUKNKFRSA-AEFFLSMTSA-N 2 2 347.528 1.980 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000352904419 149210683 /nfs/dbraw/zinc/21/06/83/149210683.db2.gz YRWGSEBUNSCPBR-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000352904419 149210685 /nfs/dbraw/zinc/21/06/85/149210685.db2.gz YRWGSEBUNSCPBR-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000352967498 149233602 /nfs/dbraw/zinc/23/36/02/149233602.db2.gz MLLHPJPTSRJATJ-CQSZACIVSA-N 2 2 333.423 1.191 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000352967498 149233603 /nfs/dbraw/zinc/23/36/03/149233603.db2.gz MLLHPJPTSRJATJ-CQSZACIVSA-N 2 2 333.423 1.191 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000416902814 304354850 /nfs/dbraw/zinc/35/48/50/304354850.db2.gz BVTGAVNORAQLQX-LSDHHAIUSA-N 2 2 331.395 1.781 20 0 EDADLP CC[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCO1 ZINC000353115582 149292705 /nfs/dbraw/zinc/29/27/05/149292705.db2.gz YJHMNQRJVUFQFT-VGUREELVSA-N 2 2 337.508 1.865 20 0 EDADLP CC[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCO1 ZINC000353115582 149292708 /nfs/dbraw/zinc/29/27/08/149292708.db2.gz YJHMNQRJVUFQFT-VGUREELVSA-N 2 2 337.508 1.865 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000353241317 149336070 /nfs/dbraw/zinc/33/60/70/149336070.db2.gz FKHKGSQXBJENFP-UHFFFAOYSA-N 2 2 339.443 1.993 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000353241317 149336076 /nfs/dbraw/zinc/33/60/76/149336076.db2.gz FKHKGSQXBJENFP-UHFFFAOYSA-N 2 2 339.443 1.993 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c[nH+]1 ZINC000353366016 149380436 /nfs/dbraw/zinc/38/04/36/149380436.db2.gz WJKJNPGYOGCXLN-INIZCTEOSA-N 2 2 325.478 1.584 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c[nH+]1 ZINC000353366016 149380437 /nfs/dbraw/zinc/38/04/37/149380437.db2.gz WJKJNPGYOGCXLN-INIZCTEOSA-N 2 2 325.478 1.584 20 0 EDADLP COC[C@@H]1CCCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000369947366 155247097 /nfs/dbraw/zinc/24/70/97/155247097.db2.gz XARJTOROUIHGTC-QGZVFWFLSA-N 2 2 349.475 1.672 20 0 EDADLP COC[C@@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000369947366 155247099 /nfs/dbraw/zinc/24/70/99/155247099.db2.gz XARJTOROUIHGTC-QGZVFWFLSA-N 2 2 349.475 1.672 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000354875592 150005672 /nfs/dbraw/zinc/00/56/72/150005672.db2.gz CQFIFBUNXGGZML-QGZVFWFLSA-N 2 2 347.459 1.120 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000354875592 150005674 /nfs/dbraw/zinc/00/56/74/150005674.db2.gz CQFIFBUNXGGZML-QGZVFWFLSA-N 2 2 347.459 1.120 20 0 EDADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000354875592 150005677 /nfs/dbraw/zinc/00/56/77/150005677.db2.gz CQFIFBUNXGGZML-QGZVFWFLSA-N 2 2 347.459 1.120 20 0 EDADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000354875592 150005679 /nfs/dbraw/zinc/00/56/79/150005679.db2.gz CQFIFBUNXGGZML-QGZVFWFLSA-N 2 2 347.459 1.120 20 0 EDADLP C[C@H]1CN(C(=O)NCCC(F)(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355071437 150103868 /nfs/dbraw/zinc/10/38/68/150103868.db2.gz ODBGBKIKMXJKGH-LBPRGKRZSA-N 2 2 336.402 1.749 20 0 EDADLP C[C@H]1CN(C(=O)NCCC(F)(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355071437 150103870 /nfs/dbraw/zinc/10/38/70/150103870.db2.gz ODBGBKIKMXJKGH-LBPRGKRZSA-N 2 2 336.402 1.749 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000355249933 150184130 /nfs/dbraw/zinc/18/41/30/150184130.db2.gz BYBRGMTVPSTKEK-RTBURBONSA-N 2 2 347.503 1.812 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000355249933 150184133 /nfs/dbraw/zinc/18/41/33/150184133.db2.gz BYBRGMTVPSTKEK-RTBURBONSA-N 2 2 347.503 1.812 20 0 EDADLP CC(C)[NH+](CCN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1)C(C)C ZINC000355577461 150321395 /nfs/dbraw/zinc/32/13/95/150321395.db2.gz ABAQESMOPJPHII-INIZCTEOSA-N 2 2 335.496 1.993 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[C@@H]1C ZINC000355585899 150325877 /nfs/dbraw/zinc/32/58/77/150325877.db2.gz ICQJZOJKXLHBCD-JKSUJKDBSA-N 2 2 346.475 1.469 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[C@@H]1C ZINC000355585899 150325878 /nfs/dbraw/zinc/32/58/78/150325878.db2.gz ICQJZOJKXLHBCD-JKSUJKDBSA-N 2 2 346.475 1.469 20 0 EDADLP CC(C)C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH+]1CCOCC1 ZINC000355708355 150368017 /nfs/dbraw/zinc/36/80/17/150368017.db2.gz YVPJNCFLGCTMKB-CQSZACIVSA-N 2 2 338.452 1.213 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000357594106 151078065 /nfs/dbraw/zinc/07/80/65/151078065.db2.gz DJLIVBLBSRMULH-RBSFLKMASA-N 2 2 333.480 1.934 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357594106 151078067 /nfs/dbraw/zinc/07/80/67/151078067.db2.gz DJLIVBLBSRMULH-RBSFLKMASA-N 2 2 333.480 1.934 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000357625460 151089959 /nfs/dbraw/zinc/08/99/59/151089959.db2.gz SNQOVTCLLFUETA-JKSUJKDBSA-N 2 2 333.480 1.245 20 0 EDADLP COc1cccc(CN(CC[NH+](C)C)c2nc(C)[nH+]c(N(C)C)n2)c1 ZINC000357668647 151109413 /nfs/dbraw/zinc/10/94/13/151109413.db2.gz BJUHNOGITKLSPJ-UHFFFAOYSA-N 2 2 344.463 1.823 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417076779 304370274 /nfs/dbraw/zinc/37/02/74/304370274.db2.gz OUDCKYXXXCXUAG-UHFFFAOYSA-N 2 2 327.432 1.873 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358264547 151320855 /nfs/dbraw/zinc/32/08/55/151320855.db2.gz MFINSUYNWNQPBW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360546112 152088742 /nfs/dbraw/zinc/08/87/42/152088742.db2.gz MYZATEKOFCXICF-FZKQIMNGSA-N 2 2 330.432 1.059 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360546112 152088744 /nfs/dbraw/zinc/08/87/44/152088744.db2.gz MYZATEKOFCXICF-FZKQIMNGSA-N 2 2 330.432 1.059 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000360564735 152098717 /nfs/dbraw/zinc/09/87/17/152098717.db2.gz RSRUONZHAIPEQF-XLIONFOSSA-N 2 2 345.487 1.956 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000360564735 152098722 /nfs/dbraw/zinc/09/87/22/152098722.db2.gz RSRUONZHAIPEQF-XLIONFOSSA-N 2 2 345.487 1.956 20 0 EDADLP CC[C@H](C)[C@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000360831886 152223269 /nfs/dbraw/zinc/22/32/69/152223269.db2.gz UBBKMJREJPDPKV-HOTGVXAUSA-N 2 2 325.497 1.460 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000360891471 152242505 /nfs/dbraw/zinc/24/25/05/152242505.db2.gz ZRGYINGURFCLBP-KRWDZBQOSA-N 2 2 335.423 1.237 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000360891471 152242507 /nfs/dbraw/zinc/24/25/07/152242507.db2.gz ZRGYINGURFCLBP-KRWDZBQOSA-N 2 2 335.423 1.237 20 0 EDADLP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000360933729 152255968 /nfs/dbraw/zinc/25/59/68/152255968.db2.gz UYTWQPUEOIWWDQ-MAUKXSAKSA-N 2 2 345.487 1.768 20 0 EDADLP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000360933729 152255971 /nfs/dbraw/zinc/25/59/71/152255971.db2.gz UYTWQPUEOIWWDQ-MAUKXSAKSA-N 2 2 345.487 1.768 20 0 EDADLP Cc1nc([C@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)cs1 ZINC000361003083 152275427 /nfs/dbraw/zinc/27/54/27/152275427.db2.gz NAGPPQIQTKALNP-AWEZNQCLSA-N 2 2 326.510 1.492 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000363702312 153034093 /nfs/dbraw/zinc/03/40/93/153034093.db2.gz BHYPAZAMLUXYGF-XFKAJCMBSA-N 2 2 349.450 1.831 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000363702312 153034095 /nfs/dbraw/zinc/03/40/95/153034095.db2.gz BHYPAZAMLUXYGF-XFKAJCMBSA-N 2 2 349.450 1.831 20 0 EDADLP CN(C(=O)N[C@@H]1CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363820291 153065700 /nfs/dbraw/zinc/06/57/00/153065700.db2.gz MUJIKIYVBDRBKO-HIFRSBDPSA-N 2 2 326.510 1.302 20 0 EDADLP CN(C(=O)N[C@@H]1CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363820291 153065703 /nfs/dbraw/zinc/06/57/03/153065703.db2.gz MUJIKIYVBDRBKO-HIFRSBDPSA-N 2 2 326.510 1.302 20 0 EDADLP CC(C)[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000364351299 153214394 /nfs/dbraw/zinc/21/43/94/153214394.db2.gz GPYPFJKDJXRSNG-QGZVFWFLSA-N 2 2 325.497 1.865 20 0 EDADLP CC(C)[NH+](CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000364351299 153214395 /nfs/dbraw/zinc/21/43/95/153214395.db2.gz GPYPFJKDJXRSNG-QGZVFWFLSA-N 2 2 325.497 1.865 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000364426698 153233634 /nfs/dbraw/zinc/23/36/34/153233634.db2.gz UMZFQPXLJSRNEN-UHFFFAOYSA-N 2 2 344.463 1.785 20 0 EDADLP CC(C)n1cc(C[N@H+]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000364426698 153233638 /nfs/dbraw/zinc/23/36/38/153233638.db2.gz UMZFQPXLJSRNEN-UHFFFAOYSA-N 2 2 344.463 1.785 20 0 EDADLP [NH3+]CC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000417265716 304388651 /nfs/dbraw/zinc/38/86/51/304388651.db2.gz CSRFKHKYDGAAOC-UHFFFAOYSA-N 2 2 331.395 1.892 20 0 EDADLP Cn1nnnc1C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000367263356 154059350 /nfs/dbraw/zinc/05/93/50/154059350.db2.gz CWUWHMNUHLFADY-GFCCVEGCSA-N 2 2 333.465 1.153 20 0 EDADLP Cn1nnnc1C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000367263356 154059352 /nfs/dbraw/zinc/05/93/52/154059352.db2.gz CWUWHMNUHLFADY-GFCCVEGCSA-N 2 2 333.465 1.153 20 0 EDADLP c1ccc2c(c1)OC[C@@H]2C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000367294608 154069638 /nfs/dbraw/zinc/06/96/38/154069638.db2.gz LVKIQPSRZVKCJX-KRWDZBQOSA-N 2 2 345.487 1.549 20 0 EDADLP c1ccc2c(c1)OC[C@@H]2C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000367294608 154069641 /nfs/dbraw/zinc/06/96/41/154069641.db2.gz LVKIQPSRZVKCJX-KRWDZBQOSA-N 2 2 345.487 1.549 20 0 EDADLP COc1ccc(O)cc1[C@@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367318770 154077618 /nfs/dbraw/zinc/07/76/18/154077618.db2.gz RWYBHOWGUQTKMV-HZPDHXFCSA-N 2 2 349.475 1.458 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000367378509 154095343 /nfs/dbraw/zinc/09/53/43/154095343.db2.gz HSBQALXEIRCGCK-UHFFFAOYSA-N 2 2 330.436 1.922 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000367384521 154097892 /nfs/dbraw/zinc/09/78/92/154097892.db2.gz OIDQOEYCAKBQFK-UHFFFAOYSA-N 2 2 345.447 1.465 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000367384521 154097896 /nfs/dbraw/zinc/09/78/96/154097896.db2.gz OIDQOEYCAKBQFK-UHFFFAOYSA-N 2 2 345.447 1.465 20 0 EDADLP Cc1ccc2c(C)cc(N(C)C[C@@H](O)C[NH+]3CCOCC3)[nH+]c2c1 ZINC000274077328 292302504 /nfs/dbraw/zinc/30/25/04/292302504.db2.gz QILMCFUBLFZRTJ-MRXNPFEDSA-N 2 2 329.444 1.981 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(C1)NC(=O)NC2=O ZINC000367467433 154135709 /nfs/dbraw/zinc/13/57/09/154135709.db2.gz OPZOOLFLHMJIIZ-LJQANCHMSA-N 2 2 344.459 1.429 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(C1)NC(=O)NC2=O ZINC000367467433 154135714 /nfs/dbraw/zinc/13/57/14/154135714.db2.gz OPZOOLFLHMJIIZ-LJQANCHMSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@]2(C1)NC(=O)NC2=O ZINC000367467433 154135719 /nfs/dbraw/zinc/13/57/19/154135719.db2.gz OPZOOLFLHMJIIZ-LJQANCHMSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@]2(C1)NC(=O)NC2=O ZINC000367467433 154135721 /nfs/dbraw/zinc/13/57/21/154135721.db2.gz OPZOOLFLHMJIIZ-LJQANCHMSA-N 2 2 344.459 1.429 20 0 EDADLP CCC(CC)[C@H](CNC(=O)N1CCn2c[nH+]cc2C1)[NH+]1CCOCC1 ZINC000367851834 154298598 /nfs/dbraw/zinc/29/85/98/154298598.db2.gz WVVYAKZVADOHPZ-KRWDZBQOSA-N 2 2 349.479 1.545 20 0 EDADLP Cc1[nH+]c2n(c1CN1CC[NH+](CCC(=O)NC(C)C)CC1)CCCC2 ZINC000367888358 154312878 /nfs/dbraw/zinc/31/28/78/154312878.db2.gz XNQWMHPWGFFLOW-UHFFFAOYSA-N 2 2 347.507 1.560 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000368019215 154372432 /nfs/dbraw/zinc/37/24/32/154372432.db2.gz LVTGENPOUNRGIB-RDJZCZTQSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000368019215 154372433 /nfs/dbraw/zinc/37/24/33/154372433.db2.gz LVTGENPOUNRGIB-RDJZCZTQSA-N 2 2 343.475 1.786 20 0 EDADLP CN(C(=O)c1ocnc1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368042171 154382232 /nfs/dbraw/zinc/38/22/32/154382232.db2.gz MPGXQSFKXWHBBT-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP CN(C(=O)c1ocnc1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368042171 154382235 /nfs/dbraw/zinc/38/22/35/154382235.db2.gz MPGXQSFKXWHBBT-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP CN(C(=O)[C@H](F)C(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368152189 154431667 /nfs/dbraw/zinc/43/16/67/154431667.db2.gz MWOVNZILXFBZIK-RYUDHWBXSA-N 2 2 325.350 1.514 20 0 EDADLP CN(C(=O)[C@H](F)C(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368152189 154431674 /nfs/dbraw/zinc/43/16/74/154431674.db2.gz MWOVNZILXFBZIK-RYUDHWBXSA-N 2 2 325.350 1.514 20 0 EDADLP C[NH+](C)CCN1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000369413895 155018682 /nfs/dbraw/zinc/01/86/82/155018682.db2.gz MOVGALYKNNAONU-UHFFFAOYSA-N 2 2 341.459 1.582 20 0 EDADLP Cc1[nH+]c2n(c1CN1CCN(C(=O)C3CC[NH2+]CC3)CC1)CCCC2 ZINC000371561978 156004956 /nfs/dbraw/zinc/00/49/56/156004956.db2.gz KKYNAWYHTDTXLN-UHFFFAOYSA-N 2 2 345.491 1.172 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000174666797 292336609 /nfs/dbraw/zinc/33/66/09/292336609.db2.gz BMRRWZNTRGUMBF-UHFFFAOYSA-N 2 2 347.463 1.612 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000174666797 292336610 /nfs/dbraw/zinc/33/66/10/292336610.db2.gz BMRRWZNTRGUMBF-UHFFFAOYSA-N 2 2 347.463 1.612 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@H](C)O1 ZINC000371905983 156161262 /nfs/dbraw/zinc/16/12/62/156161262.db2.gz MFKMGVVHZFHDAR-GJZGRUSLSA-N 2 2 349.479 1.798 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@H](C)O1 ZINC000371905983 156161266 /nfs/dbraw/zinc/16/12/66/156161266.db2.gz MFKMGVVHZFHDAR-GJZGRUSLSA-N 2 2 349.479 1.798 20 0 EDADLP CN(C(=O)Cc1ccccc1O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371975596 156192496 /nfs/dbraw/zinc/19/24/96/156192496.db2.gz VSZMSABLAXVKGL-KRWDZBQOSA-N 2 2 331.460 1.562 20 0 EDADLP CN(C(=O)Cc1ccccc1O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371975596 156192497 /nfs/dbraw/zinc/19/24/97/156192497.db2.gz VSZMSABLAXVKGL-KRWDZBQOSA-N 2 2 331.460 1.562 20 0 EDADLP NC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000372060713 156229950 /nfs/dbraw/zinc/22/99/50/156229950.db2.gz VQQMNDSYAMMZMX-GOSISDBHSA-N 2 2 330.476 1.826 20 0 EDADLP NC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000372060713 156229953 /nfs/dbraw/zinc/22/99/53/156229953.db2.gz VQQMNDSYAMMZMX-GOSISDBHSA-N 2 2 330.476 1.826 20 0 EDADLP O=C(CC[N@@H+]1CCO[C@H](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372253137 156288596 /nfs/dbraw/zinc/28/85/96/156288596.db2.gz BFNGMZPVCBLQKR-KRWDZBQOSA-N 2 2 344.459 1.231 20 0 EDADLP O=C(CC[N@H+]1CCO[C@H](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372253137 156288599 /nfs/dbraw/zinc/28/85/99/156288599.db2.gz BFNGMZPVCBLQKR-KRWDZBQOSA-N 2 2 344.459 1.231 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[NH+]2CCOCC2)c1 ZINC000372434456 156388671 /nfs/dbraw/zinc/38/86/71/156388671.db2.gz AEBOUCDJRRWILR-BJLQDIEVSA-N 2 2 343.471 1.484 20 0 EDADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nnc4n3CCOC4)CC2)C[C@H](C)O1 ZINC000373859230 157036754 /nfs/dbraw/zinc/03/67/54/157036754.db2.gz LTQHFFDHMRLJPY-GJZGRUSLSA-N 2 2 349.479 1.130 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374065662 157128031 /nfs/dbraw/zinc/12/80/31/157128031.db2.gz LWCFWJUOQFOIPD-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP CNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374065662 157128034 /nfs/dbraw/zinc/12/80/34/157128034.db2.gz LWCFWJUOQFOIPD-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374065662 157128040 /nfs/dbraw/zinc/12/80/40/157128040.db2.gz LWCFWJUOQFOIPD-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374065662 157128042 /nfs/dbraw/zinc/12/80/42/157128042.db2.gz LWCFWJUOQFOIPD-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374360207 157259163 /nfs/dbraw/zinc/25/91/63/157259163.db2.gz PCGOORAJVYLQSC-MRXNPFEDSA-N 2 2 336.505 1.630 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000374728788 157379644 /nfs/dbraw/zinc/37/96/44/157379644.db2.gz UVYIKVURHQJERT-INIZCTEOSA-N 2 2 327.432 1.057 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000374728788 157379647 /nfs/dbraw/zinc/37/96/47/157379647.db2.gz UVYIKVURHQJERT-INIZCTEOSA-N 2 2 327.432 1.057 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)C1CCCCC1 ZINC000374741613 157384478 /nfs/dbraw/zinc/38/44/78/157384478.db2.gz CCOKEJPNJBZEEX-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000377940948 158035080 /nfs/dbraw/zinc/03/50/80/158035080.db2.gz BPLZSALDSILGPQ-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000377940948 158035084 /nfs/dbraw/zinc/03/50/84/158035084.db2.gz BPLZSALDSILGPQ-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000377940948 158035085 /nfs/dbraw/zinc/03/50/85/158035085.db2.gz BPLZSALDSILGPQ-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000377940948 158035089 /nfs/dbraw/zinc/03/50/89/158035089.db2.gz BPLZSALDSILGPQ-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000377964356 158041435 /nfs/dbraw/zinc/04/14/35/158041435.db2.gz STFNHXOGEKMJQD-IRXDYDNUSA-N 2 2 348.491 1.966 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](CCOC(C)C)CC1)C2 ZINC000377973998 158044039 /nfs/dbraw/zinc/04/40/39/158044039.db2.gz WUIXWRURQWEYFM-MRXNPFEDSA-N 2 2 334.464 1.323 20 0 EDADLP NC(=O)C1([NH+]2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)CCCC1 ZINC000378203840 158107339 /nfs/dbraw/zinc/10/73/39/158107339.db2.gz UCKJWBARZJWHFO-MRXNPFEDSA-N 2 2 344.459 1.019 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc[nH+]1 ZINC000378353534 158148140 /nfs/dbraw/zinc/14/81/40/158148140.db2.gz GBKUAQLRUDFYRN-RRQGHBQHSA-N 2 2 332.448 1.823 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc[nH+]1 ZINC000378353534 158148141 /nfs/dbraw/zinc/14/81/41/158148141.db2.gz GBKUAQLRUDFYRN-RRQGHBQHSA-N 2 2 332.448 1.823 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368335 158155701 /nfs/dbraw/zinc/15/57/01/158155701.db2.gz GWEWEOPMGBDYCK-AWEZNQCLSA-N 2 2 347.507 1.948 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368335 158155705 /nfs/dbraw/zinc/15/57/05/158155705.db2.gz GWEWEOPMGBDYCK-AWEZNQCLSA-N 2 2 347.507 1.948 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc(=O)[nH]1 ZINC000378515904 158197907 /nfs/dbraw/zinc/19/79/07/158197907.db2.gz HIIFPELWASPGLP-CQSZACIVSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc(=O)[nH]1 ZINC000378515904 158197913 /nfs/dbraw/zinc/19/79/13/158197913.db2.gz HIIFPELWASPGLP-CQSZACIVSA-N 2 2 332.448 1.336 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000352219253 162056247 /nfs/dbraw/zinc/05/62/47/162056247.db2.gz PBKDNWXQEISYCR-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000352219253 162056252 /nfs/dbraw/zinc/05/62/52/162056252.db2.gz PBKDNWXQEISYCR-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP CCC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000352437761 162181540 /nfs/dbraw/zinc/18/15/40/162181540.db2.gz OQOQRXABTIUDKB-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP CCC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000352437761 162181542 /nfs/dbraw/zinc/18/15/42/162181542.db2.gz OQOQRXABTIUDKB-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352487156 162207273 /nfs/dbraw/zinc/20/72/73/162207273.db2.gz APFGGUKWTPNWNH-DZGCQCFKSA-N 2 2 328.420 1.172 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000352496802 162213031 /nfs/dbraw/zinc/21/30/31/162213031.db2.gz ZUYHPVURVCRWSK-HNNXBMFYSA-N 2 2 344.459 1.955 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000352496802 162213033 /nfs/dbraw/zinc/21/30/33/162213033.db2.gz ZUYHPVURVCRWSK-HNNXBMFYSA-N 2 2 344.459 1.955 20 0 EDADLP Fc1ccc(-n2cc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000352535174 162237138 /nfs/dbraw/zinc/23/71/38/162237138.db2.gz NPRJRHCJKOEFJR-GOSISDBHSA-N 2 2 329.423 1.491 20 0 EDADLP CCC[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000360282664 162294490 /nfs/dbraw/zinc/29/44/90/162294490.db2.gz AZJLHPJLVLJMBI-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP CCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000360282664 162294492 /nfs/dbraw/zinc/29/44/92/162294492.db2.gz AZJLHPJLVLJMBI-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP CCC[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000360282664 162294493 /nfs/dbraw/zinc/29/44/93/162294493.db2.gz AZJLHPJLVLJMBI-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP CCC[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000360282664 162294495 /nfs/dbraw/zinc/29/44/95/162294495.db2.gz AZJLHPJLVLJMBI-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP Cc1n[nH]cc1CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364231779 162321170 /nfs/dbraw/zinc/32/11/70/162321170.db2.gz QUIGDRCOFWYVTQ-INIZCTEOSA-N 2 2 348.495 1.118 20 0 EDADLP Cc1n[nH]cc1CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364231779 162321172 /nfs/dbraw/zinc/32/11/72/162321172.db2.gz QUIGDRCOFWYVTQ-INIZCTEOSA-N 2 2 348.495 1.118 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000158515037 287188231 /nfs/dbraw/zinc/18/82/31/287188231.db2.gz YHBVKZJGOINUPN-JQHSSLGASA-N 2 2 333.476 1.905 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000158515037 287188233 /nfs/dbraw/zinc/18/82/33/287188233.db2.gz YHBVKZJGOINUPN-JQHSSLGASA-N 2 2 333.476 1.905 20 0 EDADLP CCc1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000050796822 287219432 /nfs/dbraw/zinc/21/94/32/287219432.db2.gz OMVFXYKMHAZXSW-UHFFFAOYSA-N 2 2 336.505 1.994 20 0 EDADLP COCC[NH+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000056894955 287231258 /nfs/dbraw/zinc/23/12/58/287231258.db2.gz OERXZDADJFHYJJ-UHFFFAOYSA-N 2 2 343.431 1.346 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000123072568 222211483 /nfs/dbraw/zinc/21/14/83/222211483.db2.gz GWNGFAAPTRYRGH-ZFWWWQNUSA-N 2 2 333.432 1.811 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000123072568 222211486 /nfs/dbraw/zinc/21/14/86/222211486.db2.gz GWNGFAAPTRYRGH-ZFWWWQNUSA-N 2 2 333.432 1.811 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000123072568 222211491 /nfs/dbraw/zinc/21/14/91/222211491.db2.gz GWNGFAAPTRYRGH-ZFWWWQNUSA-N 2 2 333.432 1.811 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000123072568 222211495 /nfs/dbraw/zinc/21/14/95/222211495.db2.gz GWNGFAAPTRYRGH-ZFWWWQNUSA-N 2 2 333.432 1.811 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000192125418 267819661 /nfs/dbraw/zinc/81/96/61/267819661.db2.gz AVFRJYBBWQZTOL-WBVHZDCISA-N 2 2 339.386 1.158 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000273256507 268006004 /nfs/dbraw/zinc/00/60/04/268006004.db2.gz YSXTVSMMDDVNGA-ZBFHGGJFSA-N 2 2 345.447 1.321 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000273256507 268006006 /nfs/dbraw/zinc/00/60/06/268006006.db2.gz YSXTVSMMDDVNGA-ZBFHGGJFSA-N 2 2 345.447 1.321 20 0 EDADLP C[C@H]([NH2+]CN1CCC(=O)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000273037249 273025498 /nfs/dbraw/zinc/02/54/98/273025498.db2.gz FOEZIRNCBMXXIR-HNNXBMFYSA-N 2 2 348.466 1.851 20 0 EDADLP Cn1cc[nH+]c1CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000274363745 268127712 /nfs/dbraw/zinc/12/77/12/268127712.db2.gz WKZNQEBHLWBHMI-SFHVURJKSA-N 2 2 339.399 1.117 20 0 EDADLP Cn1cc[nH+]c1CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000274363745 268127715 /nfs/dbraw/zinc/12/77/15/268127715.db2.gz WKZNQEBHLWBHMI-SFHVURJKSA-N 2 2 339.399 1.117 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274622409 268170408 /nfs/dbraw/zinc/17/04/08/268170408.db2.gz GCKJNXQIPGYWDU-GJZGRUSLSA-N 2 2 345.443 1.372 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274622409 268170410 /nfs/dbraw/zinc/17/04/10/268170410.db2.gz GCKJNXQIPGYWDU-GJZGRUSLSA-N 2 2 345.443 1.372 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274622411 268170571 /nfs/dbraw/zinc/17/05/71/268170571.db2.gz GCKJNXQIPGYWDU-HUUCEWRRSA-N 2 2 345.443 1.372 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274622411 268170573 /nfs/dbraw/zinc/17/05/73/268170573.db2.gz GCKJNXQIPGYWDU-HUUCEWRRSA-N 2 2 345.443 1.372 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000275187681 268293775 /nfs/dbraw/zinc/29/37/75/268293775.db2.gz CGEBEBLUJPICEN-QGZVFWFLSA-N 2 2 335.423 1.363 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000275187681 268293776 /nfs/dbraw/zinc/29/37/76/268293776.db2.gz CGEBEBLUJPICEN-QGZVFWFLSA-N 2 2 335.423 1.363 20 0 EDADLP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000275218990 268302473 /nfs/dbraw/zinc/30/24/73/268302473.db2.gz JLGDCNXIEHWYRV-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000275218990 268302475 /nfs/dbraw/zinc/30/24/75/268302475.db2.gz JLGDCNXIEHWYRV-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000275293295 268316286 /nfs/dbraw/zinc/31/62/86/268316286.db2.gz AXHFBPOALZAVSX-CABCVRRESA-N 2 2 347.463 1.405 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000275293295 268316288 /nfs/dbraw/zinc/31/62/88/268316288.db2.gz AXHFBPOALZAVSX-CABCVRRESA-N 2 2 347.463 1.405 20 0 EDADLP CS[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H]1[NH+]1CCCC1 ZINC000275400478 268337509 /nfs/dbraw/zinc/33/75/09/268337509.db2.gz DWAFADZVMZAHIN-QWHCGFSZSA-N 2 2 345.476 1.261 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCC1 ZINC000275422317 268340283 /nfs/dbraw/zinc/34/02/83/268340283.db2.gz AAUFXSVESKSQHQ-UHFFFAOYSA-N 2 2 347.463 1.202 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000275948944 268386793 /nfs/dbraw/zinc/38/67/93/268386793.db2.gz JDLFPJOYQYXCCI-GDBMZVCRSA-N 2 2 325.478 1.036 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000275948944 268386794 /nfs/dbraw/zinc/38/67/94/268386794.db2.gz JDLFPJOYQYXCCI-GDBMZVCRSA-N 2 2 325.478 1.036 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000275948950 268386974 /nfs/dbraw/zinc/38/69/74/268386974.db2.gz JDLFPJOYQYXCCI-ZBFHGGJFSA-N 2 2 325.478 1.036 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000275948950 268386975 /nfs/dbraw/zinc/38/69/75/268386975.db2.gz JDLFPJOYQYXCCI-ZBFHGGJFSA-N 2 2 325.478 1.036 20 0 EDADLP C[NH+]1CCN(c2ccnc(-c3noc(CCn4cc[nH+]c4)n3)c2)CC1 ZINC000273760223 273053521 /nfs/dbraw/zinc/05/35/21/273053521.db2.gz DHVQFVSMNOAWOD-UHFFFAOYSA-N 2 2 339.403 1.323 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1(CO)CC1 ZINC000275414544 273110171 /nfs/dbraw/zinc/11/01/71/273110171.db2.gz GSSVZKOHFDMMKN-UHFFFAOYSA-N 2 2 331.460 1.035 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1(CO)CC1 ZINC000275414544 273110172 /nfs/dbraw/zinc/11/01/72/273110172.db2.gz GSSVZKOHFDMMKN-UHFFFAOYSA-N 2 2 331.460 1.035 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3CCOC[C@H]3C)CC2)c1 ZINC000277513280 273202916 /nfs/dbraw/zinc/20/29/16/273202916.db2.gz QHGDFGRIEFIYFP-IEBWSBKVSA-N 2 2 345.487 1.654 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282272728 273620070 /nfs/dbraw/zinc/62/00/70/273620070.db2.gz OXQBNLJWHHNPHU-OAHLLOKOSA-N 2 2 333.432 1.807 20 0 EDADLP OCCO[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284131423 274090718 /nfs/dbraw/zinc/09/07/18/274090718.db2.gz OFKXSGPYTFQMES-UXHICEINSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284131423 274090720 /nfs/dbraw/zinc/09/07/20/274090720.db2.gz OFKXSGPYTFQMES-UXHICEINSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284131423 274090721 /nfs/dbraw/zinc/09/07/21/274090721.db2.gz OFKXSGPYTFQMES-UXHICEINSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284131423 274090722 /nfs/dbraw/zinc/09/07/22/274090722.db2.gz OFKXSGPYTFQMES-UXHICEINSA-N 2 2 348.487 1.751 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000284443780 274204537 /nfs/dbraw/zinc/20/45/37/274204537.db2.gz TUFNADHSHRSMCW-UHFFFAOYSA-N 2 2 333.480 1.416 20 0 EDADLP C[C@@H]([NH3+])CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416998233 274235708 /nfs/dbraw/zinc/23/57/08/274235708.db2.gz YJBQIAZFZGPQSA-MCIONIFRSA-N 2 2 335.452 1.232 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000284643851 274276671 /nfs/dbraw/zinc/27/66/71/274276671.db2.gz USKPFEMZIBDMLR-ZHALLVOQSA-N 2 2 345.487 1.591 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284643851 274276672 /nfs/dbraw/zinc/27/66/72/274276672.db2.gz USKPFEMZIBDMLR-ZHALLVOQSA-N 2 2 345.487 1.591 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@@H]21 ZINC000284881948 274370900 /nfs/dbraw/zinc/37/09/00/274370900.db2.gz ZIZACGZLOXFPHD-OALUTQOASA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@@H]21 ZINC000284881948 274370902 /nfs/dbraw/zinc/37/09/02/274370902.db2.gz ZIZACGZLOXFPHD-OALUTQOASA-N 2 2 343.471 1.828 20 0 EDADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284932393 274392299 /nfs/dbraw/zinc/39/22/99/274392299.db2.gz WHHGEHWBRVWCTI-BPQIPLTHSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284932393 274392301 /nfs/dbraw/zinc/39/23/01/274392301.db2.gz WHHGEHWBRVWCTI-BPQIPLTHSA-N 2 2 331.460 1.392 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CCN(CCC[NH+]3CCCCC3)CC2)C1 ZINC000372541881 276211619 /nfs/dbraw/zinc/21/16/19/276211619.db2.gz AKAWXCGMRAGIRX-IBGZPJMESA-N 2 2 338.540 1.201 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CCN(CCC[NH+]3CCCCC3)CC2)C1 ZINC000372541881 276211621 /nfs/dbraw/zinc/21/16/21/276211621.db2.gz AKAWXCGMRAGIRX-IBGZPJMESA-N 2 2 338.540 1.201 20 0 EDADLP CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422760440 276585002 /nfs/dbraw/zinc/58/50/02/276585002.db2.gz LSAARYDQNNIIBB-GJZGRUSLSA-N 2 2 345.896 1.739 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCn4ccnc43)C2)CC1 ZINC000370020507 277027954 /nfs/dbraw/zinc/02/79/54/277027954.db2.gz UGOSVJCQUPANCC-GDBMZVCRSA-N 2 2 331.464 1.045 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCn4ccnc43)C2)CC1 ZINC000370020507 277027955 /nfs/dbraw/zinc/02/79/55/277027955.db2.gz UGOSVJCQUPANCC-GDBMZVCRSA-N 2 2 331.464 1.045 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc4c3OC(=O)C4)C2)CC1 ZINC000375748058 277028035 /nfs/dbraw/zinc/02/80/35/277028035.db2.gz XJZKRMUIVCDZCS-CQSZACIVSA-N 2 2 343.427 1.046 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc4c3OC(=O)C4)C2)CC1 ZINC000375748058 277028036 /nfs/dbraw/zinc/02/80/36/277028036.db2.gz XJZKRMUIVCDZCS-CQSZACIVSA-N 2 2 343.427 1.046 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000377644229 277090322 /nfs/dbraw/zinc/09/03/22/277090322.db2.gz FCGPDCYVWWTPCC-LJQANCHMSA-N 2 2 329.444 1.230 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000377644229 277090324 /nfs/dbraw/zinc/09/03/24/277090324.db2.gz FCGPDCYVWWTPCC-LJQANCHMSA-N 2 2 329.444 1.230 20 0 EDADLP COc1ccc(F)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000666312010 452769875 /nfs/dbraw/zinc/76/98/75/452769875.db2.gz MJSQDWPVEPQDFP-UHFFFAOYSA-N 2 2 326.416 1.839 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCOCC1 ZINC000236631334 277484918 /nfs/dbraw/zinc/48/49/18/277484918.db2.gz CQDCMWOCOPDYHG-MOPGFXCFSA-N 2 2 345.487 1.564 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)C2 ZINC000333645902 278074374 /nfs/dbraw/zinc/07/43/74/278074374.db2.gz IZPMMKMRNCKKBX-KGLIPLIRSA-N 2 2 333.480 1.999 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H](C)O1 ZINC000370605532 288067019 /nfs/dbraw/zinc/06/70/19/288067019.db2.gz AEFULRCSSXNIHQ-MGPQQGTHSA-N 2 2 334.464 1.834 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)C2 ZINC000333943764 279160059 /nfs/dbraw/zinc/16/00/59/279160059.db2.gz RITAWNCORVOIBI-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000286868670 288108820 /nfs/dbraw/zinc/10/88/20/288108820.db2.gz VPILGJWHEHANKK-MRXNPFEDSA-N 2 2 336.399 1.471 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000286868670 288108822 /nfs/dbraw/zinc/10/88/22/288108822.db2.gz VPILGJWHEHANKK-MRXNPFEDSA-N 2 2 336.399 1.471 20 0 EDADLP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[NH+]1CCSCC1 ZINC000130644154 279225566 /nfs/dbraw/zinc/22/55/66/279225566.db2.gz QPCXRRYLYGPNBF-CHWSQXEVSA-N 2 2 327.519 1.904 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000345631527 279264114 /nfs/dbraw/zinc/26/41/14/279264114.db2.gz CWHRGHUBLCZFIK-IAGOWNOFSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345631527 279264117 /nfs/dbraw/zinc/26/41/17/279264117.db2.gz CWHRGHUBLCZFIK-IAGOWNOFSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093050269 288178643 /nfs/dbraw/zinc/17/86/43/288178643.db2.gz RLDSNIIKPNVKOH-SFHVURJKSA-N 2 2 344.503 1.927 20 0 EDADLP CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093050269 288178644 /nfs/dbraw/zinc/17/86/44/288178644.db2.gz RLDSNIIKPNVKOH-SFHVURJKSA-N 2 2 344.503 1.927 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000362682080 280266110 /nfs/dbraw/zinc/26/61/10/280266110.db2.gz WFHDSMLZWWDQII-GFCCVEGCSA-N 2 2 327.350 1.500 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000362682080 280266111 /nfs/dbraw/zinc/26/61/11/280266111.db2.gz WFHDSMLZWWDQII-GFCCVEGCSA-N 2 2 327.350 1.500 20 0 EDADLP O=C1OCC[C@]12CCC[NH+]2C/C=C/C[N@H+]1CCC[C@@]12CCOC2=O ZINC000186602994 280308963 /nfs/dbraw/zinc/30/89/63/280308963.db2.gz XGVXOHWZINQWIP-KVHJKKSTSA-N 2 2 334.416 1.106 20 0 EDADLP O=C1OCC[C@]12CCC[NH+]2C/C=C/C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000186602994 280308966 /nfs/dbraw/zinc/30/89/66/280308966.db2.gz XGVXOHWZINQWIP-KVHJKKSTSA-N 2 2 334.416 1.106 20 0 EDADLP O=C1OCC[C@]12CCC[N@H+]2C/C=C/C[NH+]1CCC[C@@]12CCOC2=O ZINC000186602994 280308968 /nfs/dbraw/zinc/30/89/68/280308968.db2.gz XGVXOHWZINQWIP-KVHJKKSTSA-N 2 2 334.416 1.106 20 0 EDADLP O=C1OCC[C@]12CCC[N@@H+]2C/C=C/C[NH+]1CCC[C@@]12CCOC2=O ZINC000186602994 280308970 /nfs/dbraw/zinc/30/89/70/280308970.db2.gz XGVXOHWZINQWIP-KVHJKKSTSA-N 2 2 334.416 1.106 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3c(C)cc[nH+]c3C)C2)CC1 ZINC000287529526 288258930 /nfs/dbraw/zinc/25/89/30/288258930.db2.gz NIHTYHMBFBUEQS-MRXNPFEDSA-N 2 2 331.464 1.942 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337183778 288342120 /nfs/dbraw/zinc/34/21/20/288342120.db2.gz BXQQUMXHUYTHFQ-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337183778 288342122 /nfs/dbraw/zinc/34/21/22/288342122.db2.gz BXQQUMXHUYTHFQ-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000337183778 288342124 /nfs/dbraw/zinc/34/21/24/288342124.db2.gz BXQQUMXHUYTHFQ-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000337183778 288342126 /nfs/dbraw/zinc/34/21/26/288342126.db2.gz BXQQUMXHUYTHFQ-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337183778 288342127 /nfs/dbraw/zinc/34/21/27/288342127.db2.gz BXQQUMXHUYTHFQ-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000337183778 288342130 /nfs/dbraw/zinc/34/21/30/288342130.db2.gz BXQQUMXHUYTHFQ-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000337183778 288342132 /nfs/dbraw/zinc/34/21/32/288342132.db2.gz BXQQUMXHUYTHFQ-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000337183778 288342134 /nfs/dbraw/zinc/34/21/34/288342134.db2.gz BXQQUMXHUYTHFQ-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NCc1ccncc1OCCC[NH+](C)C ZINC000288212161 288432859 /nfs/dbraw/zinc/43/28/59/288432859.db2.gz LQUDOCLRKWDLOO-UHFFFAOYSA-N 2 2 341.419 1.701 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000288910507 288593008 /nfs/dbraw/zinc/59/30/08/288593008.db2.gz HLSNTPPDJJQWEE-UHFFFAOYSA-N 2 2 334.420 1.363 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000289476236 288709622 /nfs/dbraw/zinc/70/96/22/288709622.db2.gz ZKWPEXLDCMSUIA-UHFFFAOYSA-N 2 2 328.416 1.429 20 0 EDADLP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CCn2c[nH+]cc2C1 ZINC000291087856 288999780 /nfs/dbraw/zinc/99/97/80/288999780.db2.gz KLSACQVMFOJPCE-SFHVURJKSA-N 2 2 340.427 1.423 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000291146375 289008413 /nfs/dbraw/zinc/00/84/13/289008413.db2.gz DSRAINNDRFBYAS-UHFFFAOYSA-N 2 2 337.387 1.498 20 0 EDADLP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@@H](C)C1 ZINC000291235056 289023328 /nfs/dbraw/zinc/02/33/28/289023328.db2.gz QEBMLGAYYDGCGW-YJBOKZPZSA-N 2 2 330.476 1.761 20 0 EDADLP CC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@@H](C)C1 ZINC000291235056 289023329 /nfs/dbraw/zinc/02/33/29/289023329.db2.gz QEBMLGAYYDGCGW-YJBOKZPZSA-N 2 2 330.476 1.761 20 0 EDADLP CC[NH+]1CC[C@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)[C@@H](C)C1 ZINC000291235056 289023332 /nfs/dbraw/zinc/02/33/32/289023332.db2.gz QEBMLGAYYDGCGW-YJBOKZPZSA-N 2 2 330.476 1.761 20 0 EDADLP CC[NH+]1CC[C@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)[C@@H](C)C1 ZINC000291235056 289023333 /nfs/dbraw/zinc/02/33/33/289023333.db2.gz QEBMLGAYYDGCGW-YJBOKZPZSA-N 2 2 330.476 1.761 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292274397 289304049 /nfs/dbraw/zinc/30/40/49/289304049.db2.gz ZXDZOYRHIXWCOH-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292274397 289304052 /nfs/dbraw/zinc/30/40/52/289304052.db2.gz ZXDZOYRHIXWCOH-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP CCOc1cccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292274397 289304054 /nfs/dbraw/zinc/30/40/54/289304054.db2.gz ZXDZOYRHIXWCOH-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP CCOc1cccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292274397 289304057 /nfs/dbraw/zinc/30/40/57/289304057.db2.gz ZXDZOYRHIXWCOH-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000357734210 289398149 /nfs/dbraw/zinc/39/81/49/289398149.db2.gz VVOIYYHIZFKSST-HZPDHXFCSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000357734210 289398150 /nfs/dbraw/zinc/39/81/50/289398150.db2.gz VVOIYYHIZFKSST-HZPDHXFCSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352494586 298116259 /nfs/dbraw/zinc/11/62/59/298116259.db2.gz DBVZBQVMRRAPEL-JFIYKMOQSA-N 2 2 342.487 1.332 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCO1 ZINC000459561210 300299749 /nfs/dbraw/zinc/29/97/49/300299749.db2.gz DKXUGCXWZKKOGQ-HKUYNNGSSA-N 2 2 347.503 1.848 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCO1 ZINC000459561210 300299752 /nfs/dbraw/zinc/29/97/52/300299752.db2.gz DKXUGCXWZKKOGQ-HKUYNNGSSA-N 2 2 347.503 1.848 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000420314066 304749919 /nfs/dbraw/zinc/74/99/19/304749919.db2.gz YOBRCDKYUZUBQQ-CQSZACIVSA-N 2 2 331.382 1.917 20 0 EDADLP C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420393984 304755110 /nfs/dbraw/zinc/75/51/10/304755110.db2.gz KGZAHANNQHCXHK-LSDHHAIUSA-N 2 2 336.505 1.075 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000414733820 447319591 /nfs/dbraw/zinc/31/95/91/447319591.db2.gz DUOIBNDESGHMBO-UHFFFAOYSA-N 2 2 347.463 1.573 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000414733820 447319594 /nfs/dbraw/zinc/31/95/94/447319594.db2.gz DUOIBNDESGHMBO-UHFFFAOYSA-N 2 2 347.463 1.573 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C\c3ccnn3C)CC2)CC1 ZINC000493400597 447319899 /nfs/dbraw/zinc/31/98/99/447319899.db2.gz LHJFIPJJWOWCTP-WAYWQWQTSA-N 2 2 345.491 1.452 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C\c3ccnn3C)CC2)CC1 ZINC000493400597 447319904 /nfs/dbraw/zinc/31/99/04/447319904.db2.gz LHJFIPJJWOWCTP-WAYWQWQTSA-N 2 2 345.491 1.452 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414752939 447322059 /nfs/dbraw/zinc/32/20/59/447322059.db2.gz PXZYSSCRALHNLH-UHFFFAOYSA-N 2 2 333.408 1.845 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415993459 302666449 /nfs/dbraw/zinc/66/64/49/302666449.db2.gz JEVCJVZRGZEYFZ-ZDUSSCGKSA-N 2 2 343.353 1.924 20 0 EDADLP CC[NH+]1CCN(CCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293818729 303023482 /nfs/dbraw/zinc/02/34/82/303023482.db2.gz RYVBLJAFOVYWAI-OAHLLOKOSA-N 2 2 334.493 1.573 20 0 EDADLP O[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000294042883 303054946 /nfs/dbraw/zinc/05/49/46/303054946.db2.gz IUWODTSIULHBQZ-MJGOQNOKSA-N 2 2 336.451 1.773 20 0 EDADLP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000294042883 303054948 /nfs/dbraw/zinc/05/49/48/303054948.db2.gz IUWODTSIULHBQZ-MJGOQNOKSA-N 2 2 336.451 1.773 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)nn1 ZINC000294670885 303135300 /nfs/dbraw/zinc/13/53/00/303135300.db2.gz DGWCDBDPIOHFRW-UHFFFAOYSA-N 2 2 342.403 1.289 20 0 EDADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000294812849 303148360 /nfs/dbraw/zinc/14/83/60/303148360.db2.gz WWOWBKLNWMLDAJ-MIGBEJBISA-N 2 2 345.487 1.996 20 0 EDADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000294812849 303148362 /nfs/dbraw/zinc/14/83/62/303148362.db2.gz WWOWBKLNWMLDAJ-MIGBEJBISA-N 2 2 345.487 1.996 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000295968229 303287157 /nfs/dbraw/zinc/28/71/57/303287157.db2.gz NFAACOAQTKCFKQ-AWEZNQCLSA-N 2 2 329.404 1.600 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000295968229 303287158 /nfs/dbraw/zinc/28/71/58/303287158.db2.gz NFAACOAQTKCFKQ-AWEZNQCLSA-N 2 2 329.404 1.600 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cn1 ZINC000296196039 303301373 /nfs/dbraw/zinc/30/13/73/303301373.db2.gz DCSXCQMTNYGXLN-OKILXGFUSA-N 2 2 342.447 1.810 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cn1 ZINC000296196039 303301374 /nfs/dbraw/zinc/30/13/74/303301374.db2.gz DCSXCQMTNYGXLN-OKILXGFUSA-N 2 2 342.447 1.810 20 0 EDADLP Cc1cc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cn2cc[nH+]c12 ZINC000297374162 303391135 /nfs/dbraw/zinc/39/11/35/303391135.db2.gz IVIGTDIEEHARML-UHFFFAOYSA-N 2 2 346.479 1.990 20 0 EDADLP Cc1cc(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)cn2cc[nH+]c12 ZINC000297374162 303391136 /nfs/dbraw/zinc/39/11/36/303391136.db2.gz IVIGTDIEEHARML-UHFFFAOYSA-N 2 2 346.479 1.990 20 0 EDADLP Cc1cc(NC(=O)N(C)CCCN(C)CC[NH+](C)C)cn2cc[nH+]c12 ZINC000297374162 303391137 /nfs/dbraw/zinc/39/11/37/303391137.db2.gz IVIGTDIEEHARML-UHFFFAOYSA-N 2 2 346.479 1.990 20 0 EDADLP CN(C(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1)c1ccccc1 ZINC000299633311 303640219 /nfs/dbraw/zinc/64/02/19/303640219.db2.gz KCUYOKRJTZVCIA-UHFFFAOYSA-N 2 2 327.432 1.595 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2NC1CC[NH+](C(C)(C)C)CC1 ZINC000301324861 303673071 /nfs/dbraw/zinc/67/30/71/303673071.db2.gz XYSGINGTPRQMGT-UHFFFAOYSA-N 2 2 346.435 1.674 20 0 EDADLP NC(=O)c1c[nH+]ccc1NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000302007021 303707305 /nfs/dbraw/zinc/70/73/05/303707305.db2.gz AOSMBHPQLUPCGN-UHFFFAOYSA-N 2 2 343.406 1.554 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302855683 303737579 /nfs/dbraw/zinc/73/75/79/303737579.db2.gz RUKUKKSRAKSBPH-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493524554 447340380 /nfs/dbraw/zinc/34/03/80/447340380.db2.gz NTRURKQVIJWKKS-OUOZUETKSA-N 2 2 340.427 1.411 20 0 EDADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493524554 447340383 /nfs/dbraw/zinc/34/03/83/447340383.db2.gz NTRURKQVIJWKKS-OUOZUETKSA-N 2 2 340.427 1.411 20 0 EDADLP CO[C@@](C)([C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000411945227 303941634 /nfs/dbraw/zinc/94/16/34/303941634.db2.gz KKJMWQZRHXJTFA-KSSFIOAISA-N 2 2 341.496 1.007 20 0 EDADLP CC[C@@H]([NH2+]CCn1cc(Br)ccc1=O)[C@@H]1CCC[NH2+]1 ZINC000423144522 304888421 /nfs/dbraw/zinc/88/84/21/304888421.db2.gz HIMLECFBNXJRDD-OLZOCXBDSA-N 2 2 328.254 1.731 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423212068 304889672 /nfs/dbraw/zinc/88/96/72/304889672.db2.gz ZOKPOTHQQZLIMA-DZGCQCFKSA-N 2 2 349.456 1.771 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cn(CCC[NH3+])nn1 ZINC000423312728 304892285 /nfs/dbraw/zinc/89/22/85/304892285.db2.gz VMJOEZZJRCVEOV-UHFFFAOYSA-N 2 2 341.419 1.105 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000423328359 304892610 /nfs/dbraw/zinc/89/26/10/304892610.db2.gz DNADFKGITLSEOJ-BPQIPLTHSA-N 2 2 331.460 1.564 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H](C[NH3+])C(C)C)c2)CC1 ZINC000423835136 304911452 /nfs/dbraw/zinc/91/14/52/304911452.db2.gz FJHVHAVNANFCNT-GOSISDBHSA-N 2 2 346.475 1.520 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1OC ZINC000428040868 305005257 /nfs/dbraw/zinc/00/52/57/305005257.db2.gz YMIRTIQTFRGWMO-GDBMZVCRSA-N 2 2 347.459 1.346 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1OC ZINC000428040868 305005258 /nfs/dbraw/zinc/00/52/58/305005258.db2.gz YMIRTIQTFRGWMO-GDBMZVCRSA-N 2 2 347.459 1.346 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428043099 305005338 /nfs/dbraw/zinc/00/53/38/305005338.db2.gz XFHJBRQXERVPFB-SWLSCSKDSA-N 2 2 337.851 1.649 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428043099 305005339 /nfs/dbraw/zinc/00/53/39/305005339.db2.gz XFHJBRQXERVPFB-SWLSCSKDSA-N 2 2 337.851 1.649 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000428056450 305006038 /nfs/dbraw/zinc/00/60/38/305006038.db2.gz UOXOPXIWOUKOIR-ZBFHGGJFSA-N 2 2 330.432 1.635 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000428056450 305006039 /nfs/dbraw/zinc/00/60/39/305006039.db2.gz UOXOPXIWOUKOIR-ZBFHGGJFSA-N 2 2 330.432 1.635 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@H]1CCCOC1 ZINC000430088397 305045244 /nfs/dbraw/zinc/04/52/44/305045244.db2.gz VSDDVEHGMTTYJD-RDJZCZTQSA-N 2 2 328.416 1.096 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCCCN1CCCCCC1=O ZINC000430571336 305056367 /nfs/dbraw/zinc/05/63/67/305056367.db2.gz COTHZIUBMTXKGS-MRXNPFEDSA-N 2 2 340.512 1.201 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCCCN1CCCCCC1=O ZINC000430571336 305056368 /nfs/dbraw/zinc/05/63/68/305056368.db2.gz COTHZIUBMTXKGS-MRXNPFEDSA-N 2 2 340.512 1.201 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430580980 305057006 /nfs/dbraw/zinc/05/70/06/305057006.db2.gz IHNVVIPFHIXGNU-GOSISDBHSA-N 3 2 333.480 1.083 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430589583 305057506 /nfs/dbraw/zinc/05/75/06/305057506.db2.gz FATJCIIMNMSASG-MRXNPFEDSA-N 2 2 348.491 1.609 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430589583 305057507 /nfs/dbraw/zinc/05/75/07/305057507.db2.gz FATJCIIMNMSASG-MRXNPFEDSA-N 2 2 348.491 1.609 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430589582 305057581 /nfs/dbraw/zinc/05/75/81/305057581.db2.gz FATJCIIMNMSASG-INIZCTEOSA-N 2 2 348.491 1.609 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430589582 305057582 /nfs/dbraw/zinc/05/75/82/305057582.db2.gz FATJCIIMNMSASG-INIZCTEOSA-N 2 2 348.491 1.609 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604328 305058088 /nfs/dbraw/zinc/05/80/88/305058088.db2.gz MTQWOTPEKMMRDQ-KFWWJZLASA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604328 305058089 /nfs/dbraw/zinc/05/80/89/305058089.db2.gz MTQWOTPEKMMRDQ-KFWWJZLASA-N 2 2 333.432 1.002 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000430603732 305058149 /nfs/dbraw/zinc/05/81/49/305058149.db2.gz LASIDHHOFYZFOS-HUUCEWRRSA-N 2 2 349.475 1.942 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000430603732 305058150 /nfs/dbraw/zinc/05/81/50/305058150.db2.gz LASIDHHOFYZFOS-HUUCEWRRSA-N 2 2 349.475 1.942 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430603363 305058278 /nfs/dbraw/zinc/05/82/78/305058278.db2.gz YJZIFZPSWWDXLD-IBGZPJMESA-N 2 2 333.476 1.945 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430633695 305060421 /nfs/dbraw/zinc/06/04/21/305060421.db2.gz AMJYRNUVEKIOII-GJZGRUSLSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430633695 305060422 /nfs/dbraw/zinc/06/04/22/305060422.db2.gz AMJYRNUVEKIOII-GJZGRUSLSA-N 2 2 344.459 1.811 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430634383 305060609 /nfs/dbraw/zinc/06/06/09/305060609.db2.gz ROKXAYICIPSGEH-HNNXBMFYSA-N 2 2 335.448 1.251 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430634383 305060610 /nfs/dbraw/zinc/06/06/10/305060610.db2.gz ROKXAYICIPSGEH-HNNXBMFYSA-N 2 2 335.448 1.251 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3CC[NH2+]C3)CCCCCC2)no1 ZINC000430692357 305062567 /nfs/dbraw/zinc/06/25/67/305062567.db2.gz ROBNRCYZWDHCQQ-CYBMUJFWSA-N 2 2 335.452 1.406 20 0 EDADLP COC1(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]CC1 ZINC000430871055 305066495 /nfs/dbraw/zinc/06/64/95/305066495.db2.gz BNZSXJJUTMCDPM-CYBMUJFWSA-N 2 2 334.464 1.380 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000430924521 305068483 /nfs/dbraw/zinc/06/84/83/305068483.db2.gz JAFCYVQCPWFRSI-CYBMUJFWSA-N 2 2 345.365 1.525 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000430924521 305068484 /nfs/dbraw/zinc/06/84/84/305068484.db2.gz JAFCYVQCPWFRSI-CYBMUJFWSA-N 2 2 345.365 1.525 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430927333 305068697 /nfs/dbraw/zinc/06/86/97/305068697.db2.gz IGSNNHDMILWECF-DOMZBBRYSA-N 2 2 341.402 1.616 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430927333 305068698 /nfs/dbraw/zinc/06/86/98/305068698.db2.gz IGSNNHDMILWECF-DOMZBBRYSA-N 2 2 341.402 1.616 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000430937006 305069246 /nfs/dbraw/zinc/06/92/46/305069246.db2.gz YMHCPTSKGRBJGM-LSDHHAIUSA-N 2 2 349.475 1.812 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000430937006 305069247 /nfs/dbraw/zinc/06/92/47/305069247.db2.gz YMHCPTSKGRBJGM-LSDHHAIUSA-N 2 2 349.475 1.812 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000430937694 305069528 /nfs/dbraw/zinc/06/95/28/305069528.db2.gz DOTDGWLUQKQVPU-LPHOPBHVSA-N 3 2 344.503 1.568 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000430937694 305069529 /nfs/dbraw/zinc/06/95/29/305069529.db2.gz DOTDGWLUQKQVPU-LPHOPBHVSA-N 3 2 344.503 1.568 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430942531 305069612 /nfs/dbraw/zinc/06/96/12/305069612.db2.gz CZXSUMOYGDMDPQ-ZBFHGGJFSA-N 2 2 349.475 1.592 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430942531 305069613 /nfs/dbraw/zinc/06/96/13/305069613.db2.gz CZXSUMOYGDMDPQ-ZBFHGGJFSA-N 2 2 349.475 1.592 20 0 EDADLP CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000431090539 305074770 /nfs/dbraw/zinc/07/47/70/305074770.db2.gz YVRLANYOFYJTAP-UHFFFAOYSA-N 2 2 345.447 1.987 20 0 EDADLP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000431090539 305074771 /nfs/dbraw/zinc/07/47/71/305074771.db2.gz YVRLANYOFYJTAP-UHFFFAOYSA-N 2 2 345.447 1.987 20 0 EDADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)n1 ZINC000431095969 305075127 /nfs/dbraw/zinc/07/51/27/305075127.db2.gz IAQOIEOUHKCRQR-UHFFFAOYSA-N 2 2 349.460 1.719 20 0 EDADLP C[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000431801452 305083057 /nfs/dbraw/zinc/08/30/57/305083057.db2.gz ZZBAANFDMNZYBO-FUHWJXTLSA-N 2 2 332.492 1.432 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H](C[NH3+])C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000433160426 305102212 /nfs/dbraw/zinc/10/22/12/305102212.db2.gz OIYJTVWYCHCOIU-OAHLLOKOSA-N 2 2 333.480 1.788 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000433176191 305102341 /nfs/dbraw/zinc/10/23/41/305102341.db2.gz RRTIQCRJXMKHLE-MJGOQNOKSA-N 2 2 347.503 1.967 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3ncn([C@H]4CCC[NH2+]C4)n3)[nH+]c12 ZINC000433383897 305107189 /nfs/dbraw/zinc/10/71/89/305107189.db2.gz IVRLESNLADKSID-AWEZNQCLSA-N 2 2 339.403 1.089 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000434482975 305123440 /nfs/dbraw/zinc/12/34/40/305123440.db2.gz KYKGUZJSQWVWPO-GDBMZVCRSA-N 2 2 335.452 1.024 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000434482975 305123441 /nfs/dbraw/zinc/12/34/41/305123441.db2.gz KYKGUZJSQWVWPO-GDBMZVCRSA-N 2 2 335.452 1.024 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434463035 305123474 /nfs/dbraw/zinc/12/34/74/305123474.db2.gz LBTMECWBOPMFSD-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434463035 305123475 /nfs/dbraw/zinc/12/34/75/305123475.db2.gz LBTMECWBOPMFSD-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nnc4n3CCCCC4)C2)CC1 ZINC000434543734 305124386 /nfs/dbraw/zinc/12/43/86/305124386.db2.gz SEUOLCZHAOORDS-MRXNPFEDSA-N 2 2 332.496 1.216 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)C2)CC1 ZINC000434543734 305124387 /nfs/dbraw/zinc/12/43/87/305124387.db2.gz SEUOLCZHAOORDS-MRXNPFEDSA-N 2 2 332.496 1.216 20 0 EDADLP C[NH+]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000435517099 305141637 /nfs/dbraw/zinc/14/16/37/305141637.db2.gz OLIHQINQFMCTQG-UHFFFAOYSA-N 2 2 338.496 1.226 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1ncoc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567296 305142645 /nfs/dbraw/zinc/14/26/45/305142645.db2.gz YZCCPMQBGGTOQQ-CQSZACIVSA-N 2 2 343.431 1.984 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435610653 305143338 /nfs/dbraw/zinc/14/33/38/305143338.db2.gz LNMNBTOEUYBUAB-MRXNPFEDSA-N 2 2 349.475 1.654 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435610653 305143339 /nfs/dbraw/zinc/14/33/39/305143339.db2.gz LNMNBTOEUYBUAB-MRXNPFEDSA-N 2 2 349.475 1.654 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000435622080 305143638 /nfs/dbraw/zinc/14/36/38/305143638.db2.gz BXCWGSVFICAVCS-MSOLQXFVSA-N 2 2 344.503 1.703 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000435622080 305143639 /nfs/dbraw/zinc/14/36/39/305143639.db2.gz BXCWGSVFICAVCS-MSOLQXFVSA-N 2 2 344.503 1.703 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435624928 305143847 /nfs/dbraw/zinc/14/38/47/305143847.db2.gz GLPRFVMHEXSRBM-KRWDZBQOSA-N 2 2 346.475 1.791 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435624928 305143848 /nfs/dbraw/zinc/14/38/48/305143848.db2.gz GLPRFVMHEXSRBM-KRWDZBQOSA-N 2 2 346.475 1.791 20 0 EDADLP CN(CCCNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435624973 305144017 /nfs/dbraw/zinc/14/40/17/305144017.db2.gz ZBBULCKNUMAMFR-SFHVURJKSA-N 2 2 332.492 1.703 20 0 EDADLP CN(CCCNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435624973 305144018 /nfs/dbraw/zinc/14/40/18/305144018.db2.gz ZBBULCKNUMAMFR-SFHVURJKSA-N 2 2 332.492 1.703 20 0 EDADLP CCCCNC(=O)CN(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691285 305145338 /nfs/dbraw/zinc/14/53/38/305145338.db2.gz CWHUQSKBLADRKZ-MRXNPFEDSA-N 2 2 347.507 1.763 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000442956478 305232112 /nfs/dbraw/zinc/23/21/12/305232112.db2.gz PBDAVJJYCIPOCC-AWEZNQCLSA-N 2 2 348.472 1.692 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000442956478 305232113 /nfs/dbraw/zinc/23/21/13/305232113.db2.gz PBDAVJJYCIPOCC-AWEZNQCLSA-N 2 2 348.472 1.692 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c[nH+]1 ZINC000446270835 305262234 /nfs/dbraw/zinc/26/22/34/305262234.db2.gz HPTSCBZXUNAAOT-DDUZABMNSA-N 2 2 332.448 1.296 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451329863 305339363 /nfs/dbraw/zinc/33/93/63/305339363.db2.gz YGMKSRGABWZZEQ-OAHLLOKOSA-N 2 2 325.840 1.079 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451329863 305339364 /nfs/dbraw/zinc/33/93/64/305339364.db2.gz YGMKSRGABWZZEQ-OAHLLOKOSA-N 2 2 325.840 1.079 20 0 EDADLP CC(C)(C)CC(C)(C)[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000451889202 305372065 /nfs/dbraw/zinc/37/20/65/305372065.db2.gz JYQFXYSVMKANIC-QGZVFWFLSA-N 2 2 341.540 1.512 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452055344 305380750 /nfs/dbraw/zinc/38/07/50/305380750.db2.gz RTRCWXBADVMNGJ-HNNXBMFYSA-N 2 2 344.463 1.552 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452055344 305380751 /nfs/dbraw/zinc/38/07/51/305380751.db2.gz RTRCWXBADVMNGJ-HNNXBMFYSA-N 2 2 344.463 1.552 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)C[C@@H](O)C3)CC2)c1 ZINC000452103032 305382894 /nfs/dbraw/zinc/38/28/94/305382894.db2.gz VHLNPPLGZCTETR-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)C[C@@H](O)C3)CC2)c1 ZINC000452103032 305382895 /nfs/dbraw/zinc/38/28/95/305382895.db2.gz VHLNPPLGZCTETR-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)C2 ZINC000452382139 305395626 /nfs/dbraw/zinc/39/56/26/305395626.db2.gz LEUMVAFRHHNQMV-CABCVRRESA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C2 ZINC000452382139 305395627 /nfs/dbraw/zinc/39/56/27/305395627.db2.gz LEUMVAFRHHNQMV-CABCVRRESA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)CC2 ZINC000452382139 305395628 /nfs/dbraw/zinc/39/56/28/305395628.db2.gz LEUMVAFRHHNQMV-CABCVRRESA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)CC2 ZINC000452382139 305395629 /nfs/dbraw/zinc/39/56/29/305395629.db2.gz LEUMVAFRHHNQMV-CABCVRRESA-N 2 2 348.491 1.601 20 0 EDADLP COC(=O)c1cc(C)cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000457632403 305492845 /nfs/dbraw/zinc/49/28/45/305492845.db2.gz VWUMVHVJDWXNLU-UHFFFAOYSA-N 2 2 347.459 1.537 20 0 EDADLP C[NH+](C)CCOCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000471635163 305537563 /nfs/dbraw/zinc/53/75/63/305537563.db2.gz ISDZUMISEDXCHW-UHFFFAOYSA-N 2 2 345.447 1.309 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)/C=C/C[NH+](C)C)c[nH+]2)C[C@@H](C)O1 ZINC000491873477 305579660 /nfs/dbraw/zinc/57/96/60/305579660.db2.gz ULCGVWCIOZVALD-XEVLESSRSA-N 2 2 332.448 1.429 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425892764 447352539 /nfs/dbraw/zinc/35/25/39/447352539.db2.gz ACAWTAMHXAIVEK-RTBURBONSA-N 3 2 348.491 1.609 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)[nH]c1C ZINC000449124501 447364352 /nfs/dbraw/zinc/36/43/52/447364352.db2.gz PFADPVCRRJYTSP-MRXNPFEDSA-N 2 2 337.464 1.682 20 0 EDADLP CO[C@@H](C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000530223013 305934793 /nfs/dbraw/zinc/93/47/93/305934793.db2.gz KWUJHHCCNIYNJH-KRWDZBQOSA-N 2 2 332.448 1.017 20 0 EDADLP Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000535316271 306012969 /nfs/dbraw/zinc/01/29/69/306012969.db2.gz WIBKWEVNFODWBC-OAHLLOKOSA-N 2 2 330.407 1.973 20 0 EDADLP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000535316271 306012970 /nfs/dbraw/zinc/01/29/70/306012970.db2.gz WIBKWEVNFODWBC-OAHLLOKOSA-N 2 2 330.407 1.973 20 0 EDADLP Cc1nc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)no1 ZINC000538045937 306029954 /nfs/dbraw/zinc/02/99/54/306029954.db2.gz RFBOEHORBJONOK-ZIAGYGMSSA-N 2 2 338.452 1.468 20 0 EDADLP Cn1cc(C(C)(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000542355020 306053176 /nfs/dbraw/zinc/05/31/76/306053176.db2.gz MQCNIECJHRBZLJ-UHFFFAOYSA-N 2 2 347.507 1.373 20 0 EDADLP C[C@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)N1CC[NH+](C)CC1 ZINC000542635815 306055394 /nfs/dbraw/zinc/05/53/94/306055394.db2.gz AHOOLGPYULAMLL-CQSZACIVSA-N 2 2 327.432 1.329 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[NH+](C2CCOCC2)CC1 ZINC000542728751 306057234 /nfs/dbraw/zinc/05/72/34/306057234.db2.gz MCTNCGWICUCORS-UHFFFAOYSA-N 2 2 332.448 1.085 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000548691185 306135221 /nfs/dbraw/zinc/13/52/21/306135221.db2.gz IYGVGVKWYDUQJX-CQSZACIVSA-N 2 2 329.404 1.105 20 0 EDADLP CC(C)C[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000550198284 306151791 /nfs/dbraw/zinc/15/17/91/306151791.db2.gz VPIZVEMXVNOJCL-KRWDZBQOSA-N 2 2 330.432 1.811 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2-n2cc[nH+]c2)C[C@@H](C)O1 ZINC000555581119 306203292 /nfs/dbraw/zinc/20/32/92/306203292.db2.gz RTONSZRIBMOOBE-BZUAXINKSA-N 2 2 331.416 1.721 20 0 EDADLP C[C@@H](CNC(=O)C(=O)NCCCCn1cc[nH+]c1)[N@H+]1CCC[C@H](C)C1 ZINC000556642574 306212441 /nfs/dbraw/zinc/21/24/41/306212441.db2.gz UQRZHLABBNKDHO-HOTGVXAUSA-N 2 2 349.479 1.016 20 0 EDADLP Cn1cc(N2CC[C@H]([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2=O)cn1 ZINC000556948066 306221748 /nfs/dbraw/zinc/22/17/48/306221748.db2.gz SVEMCMRMBXWGAY-RYQLBKOJSA-N 2 2 339.443 1.608 20 0 EDADLP Cc1cc(N2CCC(NC(=O)/C=C/c3[nH]cc[nH+]3)CC2)nc(C)[nH+]1 ZINC000493699669 447373812 /nfs/dbraw/zinc/37/38/12/447373812.db2.gz YVSKYFWMTYSTQF-ONEGZZNKSA-N 2 2 326.404 1.615 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000456371204 447377204 /nfs/dbraw/zinc/37/72/04/447377204.db2.gz GVUXPXWYQOLCBE-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000456371204 447377213 /nfs/dbraw/zinc/37/72/13/447377213.db2.gz GVUXPXWYQOLCBE-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP CC(C)C[NH+](C)CCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000665217761 453611586 /nfs/dbraw/zinc/61/15/86/453611586.db2.gz VGKSFIAMIBHWTD-HOTGVXAUSA-N 2 2 328.501 1.373 20 0 EDADLP CC(C)C[NH+](C)CCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000665217761 453611588 /nfs/dbraw/zinc/61/15/88/453611588.db2.gz VGKSFIAMIBHWTD-HOTGVXAUSA-N 2 2 328.501 1.373 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CC1(C)CCCCC1 ZINC000657090817 453673827 /nfs/dbraw/zinc/67/38/27/453673827.db2.gz HQDKXFNFXYJZKW-UHFFFAOYSA-N 2 2 333.542 1.760 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CC1(C)CCCCC1 ZINC000657090817 453673833 /nfs/dbraw/zinc/67/38/33/453673833.db2.gz HQDKXFNFXYJZKW-UHFFFAOYSA-N 2 2 333.542 1.760 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000426131341 447394972 /nfs/dbraw/zinc/39/49/72/447394972.db2.gz NWBKSIMSKKZSNW-ZIFCJYIRSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000426131341 447394976 /nfs/dbraw/zinc/39/49/76/447394976.db2.gz NWBKSIMSKKZSNW-ZIFCJYIRSA-N 2 2 345.487 1.595 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000045409512 440982172 /nfs/dbraw/zinc/98/21/72/440982172.db2.gz FTSZDDBDHFHEBW-UHFFFAOYSA-N 2 2 343.475 1.536 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOc2ccccc2C)CC1 ZINC000070870171 441124584 /nfs/dbraw/zinc/12/45/84/441124584.db2.gz SUNDSXSSKCPDEO-KRWDZBQOSA-N 2 2 333.476 1.858 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2C)CC1 ZINC000070870171 441124588 /nfs/dbraw/zinc/12/45/88/441124588.db2.gz SUNDSXSSKCPDEO-KRWDZBQOSA-N 2 2 333.476 1.858 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](Cc2ccco2)CC1 ZINC000047105538 441155976 /nfs/dbraw/zinc/15/59/76/441155976.db2.gz UXVRILBWCYVEKL-IAGOWNOFSA-N 2 2 332.448 1.734 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](Cc2ccco2)CC1 ZINC000047105538 441155982 /nfs/dbraw/zinc/15/59/82/441155982.db2.gz UXVRILBWCYVEKL-IAGOWNOFSA-N 2 2 332.448 1.734 20 0 EDADLP C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000101626488 441159441 /nfs/dbraw/zinc/15/94/41/441159441.db2.gz ACTKWTJDPKYIFF-HOTGVXAUSA-N 2 2 334.464 1.169 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC(C)(C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000105081476 441231202 /nfs/dbraw/zinc/23/12/02/441231202.db2.gz IIJVQFMWWFWGEU-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[N@H+](CCOc1ccccc1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015293695 441199409 /nfs/dbraw/zinc/19/94/09/441199409.db2.gz OYNYZGXKFVFSJQ-UHFFFAOYSA-N 2 2 349.475 1.224 20 0 EDADLP C[N@@H+](CCOc1ccccc1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015293695 441199412 /nfs/dbraw/zinc/19/94/12/441199412.db2.gz OYNYZGXKFVFSJQ-UHFFFAOYSA-N 2 2 349.475 1.224 20 0 EDADLP O=S(=O)(NCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961757 441212204 /nfs/dbraw/zinc/21/22/04/441212204.db2.gz VOJAHSNEMRJNCF-CQSZACIVSA-N 2 2 334.445 1.568 20 0 EDADLP O=S(=O)(NCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961757 441212209 /nfs/dbraw/zinc/21/22/09/441212209.db2.gz VOJAHSNEMRJNCF-CQSZACIVSA-N 2 2 334.445 1.568 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047966067 441244396 /nfs/dbraw/zinc/24/43/96/441244396.db2.gz HWEDBYOUXZMZDZ-WBVHZDCISA-N 2 2 327.432 1.845 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047966067 441244400 /nfs/dbraw/zinc/24/44/00/441244400.db2.gz HWEDBYOUXZMZDZ-WBVHZDCISA-N 2 2 327.432 1.845 20 0 EDADLP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000456685075 447438746 /nfs/dbraw/zinc/43/87/46/447438746.db2.gz PYBDYPPIZXVDSB-SFHVURJKSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000456685075 447438755 /nfs/dbraw/zinc/43/87/55/447438755.db2.gz PYBDYPPIZXVDSB-SFHVURJKSA-N 2 2 335.492 1.763 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000081571278 441291428 /nfs/dbraw/zinc/29/14/28/441291428.db2.gz GBKVKTXKDORIAD-HNNXBMFYSA-N 2 2 339.480 1.062 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000081571278 441291431 /nfs/dbraw/zinc/29/14/31/441291431.db2.gz GBKVKTXKDORIAD-HNNXBMFYSA-N 2 2 339.480 1.062 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000081571278 441291434 /nfs/dbraw/zinc/29/14/34/441291434.db2.gz GBKVKTXKDORIAD-HNNXBMFYSA-N 2 2 339.480 1.062 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000081571278 441291436 /nfs/dbraw/zinc/29/14/36/441291436.db2.gz GBKVKTXKDORIAD-HNNXBMFYSA-N 2 2 339.480 1.062 20 0 EDADLP C[C@@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)Cn1cc[nH+]c1 ZINC000081799566 441315088 /nfs/dbraw/zinc/31/50/88/441315088.db2.gz VKNLFMUHFSJNGA-INIZCTEOSA-N 2 2 344.463 1.632 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc[nH]c3=S)CC2)CC1 ZINC000051463951 441412110 /nfs/dbraw/zinc/41/21/10/441412110.db2.gz FELRWVBSXAQQFV-UHFFFAOYSA-N 2 2 334.489 1.659 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000108369228 441448598 /nfs/dbraw/zinc/44/85/98/441448598.db2.gz XXAZOXVIKRDVCY-OAHLLOKOSA-N 2 2 336.432 1.617 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000107854539 441431681 /nfs/dbraw/zinc/43/16/81/441431681.db2.gz OIVBEGNAYPQTBR-TXEJJXNPSA-N 2 2 338.249 1.847 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000107854539 441431685 /nfs/dbraw/zinc/43/16/85/441431685.db2.gz OIVBEGNAYPQTBR-TXEJJXNPSA-N 2 2 338.249 1.847 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCN(C)CC1 ZINC000074657245 441452729 /nfs/dbraw/zinc/45/27/29/441452729.db2.gz OPGQVZOQOCBTEU-JKSUJKDBSA-N 2 2 348.495 1.182 20 0 EDADLP Cc1cc[nH+]c(NNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000088423318 441507854 /nfs/dbraw/zinc/50/78/54/441507854.db2.gz CJTQNWDIKMOQFZ-SFHVURJKSA-N 2 2 339.443 1.822 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000076002442 441576456 /nfs/dbraw/zinc/57/64/56/441576456.db2.gz KQAWDVSLVWSLTG-IAGOWNOFSA-N 2 2 346.475 1.525 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000076002442 441576461 /nfs/dbraw/zinc/57/64/61/441576461.db2.gz KQAWDVSLVWSLTG-IAGOWNOFSA-N 2 2 346.475 1.525 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC(=O)N(C)CC2CC2)CC1 ZINC000113501535 441610951 /nfs/dbraw/zinc/61/09/51/441610951.db2.gz HWDMGNPWZXLXLG-IRXDYDNUSA-N 2 2 336.524 1.345 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000089926313 441596270 /nfs/dbraw/zinc/59/62/70/441596270.db2.gz FPDKPBMASJUOPJ-UHFFFAOYSA-N 2 2 346.410 1.292 20 0 EDADLP c1csc(N2CCC([NH2+]C[C@H]3C[N@@H+]4CCCC[C@@H]4CO3)CC2)n1 ZINC000090918184 441646137 /nfs/dbraw/zinc/64/61/37/441646137.db2.gz YTJQLJYNQVLOKE-CVEARBPZSA-N 2 2 336.505 1.955 20 0 EDADLP c1csc(N2CCC([NH2+]C[C@H]3C[N@H+]4CCCC[C@@H]4CO3)CC2)n1 ZINC000090918184 441646142 /nfs/dbraw/zinc/64/61/42/441646142.db2.gz YTJQLJYNQVLOKE-CVEARBPZSA-N 2 2 336.505 1.955 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000041570725 441659802 /nfs/dbraw/zinc/65/98/02/441659802.db2.gz HKPXHTNFGFKQIG-UHFFFAOYSA-N 2 2 328.416 1.715 20 0 EDADLP O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000055673896 441660547 /nfs/dbraw/zinc/66/05/47/441660547.db2.gz BQIDLFQNVRMPHP-QGZVFWFLSA-N 2 2 328.460 1.852 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114817933 441686364 /nfs/dbraw/zinc/68/63/64/441686364.db2.gz BGGVPWYCNGDFBB-KRWDZBQOSA-N 2 2 327.432 1.847 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114817933 441686367 /nfs/dbraw/zinc/68/63/67/441686367.db2.gz BGGVPWYCNGDFBB-KRWDZBQOSA-N 2 2 327.432 1.847 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000076898529 441692477 /nfs/dbraw/zinc/69/24/77/441692477.db2.gz OTBXLFJNQNZOQV-HNNXBMFYSA-N 2 2 329.448 1.683 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C2 ZINC000091315121 441694857 /nfs/dbraw/zinc/69/48/57/441694857.db2.gz BGSSQSJROZCTEC-TZMCWYRMSA-N 2 2 334.445 1.505 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000067685466 441667362 /nfs/dbraw/zinc/66/73/62/441667362.db2.gz RJIYMWVKPFHVDX-GOSISDBHSA-N 2 2 345.491 1.639 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000067685466 441667366 /nfs/dbraw/zinc/66/73/66/441667366.db2.gz RJIYMWVKPFHVDX-GOSISDBHSA-N 2 2 345.491 1.639 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000137017138 441739096 /nfs/dbraw/zinc/73/90/96/441739096.db2.gz MNUGQMIYOMTRIQ-UHFFFAOYSA-N 2 2 326.404 1.805 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000173525811 441778376 /nfs/dbraw/zinc/77/83/76/441778376.db2.gz BJUJQEPVVUBDNM-GUYCJALGSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000173525811 441778383 /nfs/dbraw/zinc/77/83/83/441778383.db2.gz BJUJQEPVVUBDNM-GUYCJALGSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000173525811 441778389 /nfs/dbraw/zinc/77/83/89/441778389.db2.gz BJUJQEPVVUBDNM-GUYCJALGSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000173525811 441778396 /nfs/dbraw/zinc/77/83/96/441778396.db2.gz BJUJQEPVVUBDNM-GUYCJALGSA-N 2 2 332.448 1.998 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000173615811 441805771 /nfs/dbraw/zinc/80/57/71/441805771.db2.gz ZEXXQVWJSFCRBO-AWEZNQCLSA-N 2 2 346.475 1.836 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000173640119 441812354 /nfs/dbraw/zinc/81/23/54/441812354.db2.gz MIAOEQCJDZUJCG-LBPRGKRZSA-N 2 2 341.402 1.992 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000068593086 441828428 /nfs/dbraw/zinc/82/84/28/441828428.db2.gz HPJKAPLXEWPPCY-HNNXBMFYSA-N 2 2 334.464 1.981 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000144247072 441880615 /nfs/dbraw/zinc/88/06/15/441880615.db2.gz DVGISOYDUZIWBR-QZTJIDSGSA-N 2 2 333.476 1.762 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000144247072 441880621 /nfs/dbraw/zinc/88/06/21/441880621.db2.gz DVGISOYDUZIWBR-QZTJIDSGSA-N 2 2 333.476 1.762 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123323588 441882745 /nfs/dbraw/zinc/88/27/45/441882745.db2.gz YZPZRJLGIKSGMA-CZUORRHYSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123323588 441882749 /nfs/dbraw/zinc/88/27/49/441882749.db2.gz YZPZRJLGIKSGMA-CZUORRHYSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123323588 441882754 /nfs/dbraw/zinc/88/27/54/441882754.db2.gz YZPZRJLGIKSGMA-CZUORRHYSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123323588 441882757 /nfs/dbraw/zinc/88/27/57/441882757.db2.gz YZPZRJLGIKSGMA-CZUORRHYSA-N 2 2 333.432 1.826 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000123437490 441887128 /nfs/dbraw/zinc/88/71/28/441887128.db2.gz WFZMBRQGXVSNDS-RHSMWYFYSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@H+]1C ZINC000123437490 441887131 /nfs/dbraw/zinc/88/71/31/441887131.db2.gz WFZMBRQGXVSNDS-RHSMWYFYSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[NH+]1C ZINC000123437490 441887136 /nfs/dbraw/zinc/88/71/36/441887136.db2.gz WFZMBRQGXVSNDS-RHSMWYFYSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[NH+]1C ZINC000123437490 441887142 /nfs/dbraw/zinc/88/71/42/441887142.db2.gz WFZMBRQGXVSNDS-RHSMWYFYSA-N 2 2 346.475 1.741 20 0 EDADLP COCC[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000150907598 441972790 /nfs/dbraw/zinc/97/27/90/441972790.db2.gz JDVOABSMPUVNLQ-UHFFFAOYSA-N 2 2 343.431 1.883 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000150874642 441965953 /nfs/dbraw/zinc/96/59/53/441965953.db2.gz ABSQLZGZGXZRKH-HNNXBMFYSA-N 2 2 329.404 1.539 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000150874642 441965959 /nfs/dbraw/zinc/96/59/59/441965959.db2.gz ABSQLZGZGXZRKH-HNNXBMFYSA-N 2 2 329.404 1.539 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000125314150 442007851 /nfs/dbraw/zinc/00/78/51/442007851.db2.gz SUIZXTUBFWIFRT-UHFFFAOYSA-N 2 2 338.406 1.991 20 0 EDADLP CO[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(O)cc1 ZINC000426443256 447444940 /nfs/dbraw/zinc/44/49/40/447444940.db2.gz NXQGEYMLPVBCGO-GOSISDBHSA-N 2 2 349.475 1.564 20 0 EDADLP CO[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(O)cc1 ZINC000426443256 447444942 /nfs/dbraw/zinc/44/49/42/447444942.db2.gz NXQGEYMLPVBCGO-GOSISDBHSA-N 2 2 349.475 1.564 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000079253347 442031998 /nfs/dbraw/zinc/03/19/98/442031998.db2.gz VQNZLWZWTNMFTP-MRXNPFEDSA-N 2 2 333.480 1.639 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175459475 442066596 /nfs/dbraw/zinc/06/65/96/442066596.db2.gz NEZZGSXMRJMQGP-QGZVFWFLSA-N 2 2 349.479 1.478 20 0 EDADLP Cc1cc(C)n(Cc2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000162285772 442079803 /nfs/dbraw/zinc/07/98/03/442079803.db2.gz QASDBODSTSCEJB-SFHVURJKSA-N 2 2 341.459 1.263 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3nc(CC)cc(=O)[nH]3)CC2)CC1 ZINC000120836046 442139807 /nfs/dbraw/zinc/13/98/07/442139807.db2.gz OZEDHDXNHMIEPA-UHFFFAOYSA-N 2 2 347.507 1.737 20 0 EDADLP O=C(C[NH2+]C[C@H]1CCCO1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000163556482 442173985 /nfs/dbraw/zinc/17/39/85/442173985.db2.gz GYVYJYPDGFKDHN-CQSZACIVSA-N 2 2 338.477 1.836 20 0 EDADLP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000121147203 442182606 /nfs/dbraw/zinc/18/26/06/442182606.db2.gz JOVABCKIOULSGD-SFHVURJKSA-N 2 2 330.476 1.664 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N(C)CC[NH+](C)C)c[nH+]2)C[C@H](C)O1 ZINC000176199641 442189221 /nfs/dbraw/zinc/18/92/21/442189221.db2.gz ILIIXQVSWUAFEK-GJZGRUSLSA-N 2 2 349.479 1.398 20 0 EDADLP CCc1noc(CC)c1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000126972646 442158914 /nfs/dbraw/zinc/15/89/14/442158914.db2.gz HGBQGBDGFVYSSW-UHFFFAOYSA-N 2 2 336.480 1.484 20 0 EDADLP COC1(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC[NH2+]CC1 ZINC000169079559 442226136 /nfs/dbraw/zinc/22/61/36/442226136.db2.gz CATOUXDUAMGQEN-CQSZACIVSA-N 2 2 341.402 1.452 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000152660383 442235531 /nfs/dbraw/zinc/23/55/31/442235531.db2.gz FGRFHGRZHUOBCD-UHFFFAOYSA-N 2 2 328.416 1.995 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)[N@@H+](C)C1CC1 ZINC000129162850 442304277 /nfs/dbraw/zinc/30/42/77/442304277.db2.gz BOZVKNPRFQAJAF-LSDHHAIUSA-N 2 2 331.464 1.832 20 0 EDADLP C[NH+](C)[C@H]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000170829143 442270703 /nfs/dbraw/zinc/27/07/03/442270703.db2.gz DAJZDMDWPMARET-KRWDZBQOSA-N 2 2 327.432 1.777 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000128585039 442276541 /nfs/dbraw/zinc/27/65/41/442276541.db2.gz FINIWQGGNRJDMI-AWEZNQCLSA-N 2 2 348.447 1.655 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000128585039 442276543 /nfs/dbraw/zinc/27/65/43/442276543.db2.gz FINIWQGGNRJDMI-AWEZNQCLSA-N 2 2 348.447 1.655 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000170886851 442283493 /nfs/dbraw/zinc/28/34/93/442283493.db2.gz IVJQXLPKMQGJIK-UONOGXRCSA-N 2 2 330.432 1.570 20 0 EDADLP CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177024928 442287146 /nfs/dbraw/zinc/28/71/46/442287146.db2.gz PYVWCVAWFKWBTM-UHFFFAOYSA-N 2 2 329.404 1.094 20 0 EDADLP CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000177024928 442287148 /nfs/dbraw/zinc/28/71/48/442287148.db2.gz PYVWCVAWFKWBTM-UHFFFAOYSA-N 2 2 329.404 1.094 20 0 EDADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000128780714 442288011 /nfs/dbraw/zinc/28/80/11/442288011.db2.gz MSJXDVPZUYZSIE-SJORKVTESA-N 2 2 346.475 1.525 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057026 442291303 /nfs/dbraw/zinc/29/13/03/442291303.db2.gz GVHUVYPCYQARSG-KFWWJZLASA-N 2 2 327.469 1.105 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177057026 442291305 /nfs/dbraw/zinc/29/13/05/442291305.db2.gz GVHUVYPCYQARSG-KFWWJZLASA-N 2 2 327.469 1.105 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057026 442291307 /nfs/dbraw/zinc/29/13/07/442291307.db2.gz GVHUVYPCYQARSG-KFWWJZLASA-N 2 2 327.469 1.105 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057026 442291310 /nfs/dbraw/zinc/29/13/10/442291310.db2.gz GVHUVYPCYQARSG-KFWWJZLASA-N 2 2 327.469 1.105 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CSCCS3)CC2)CC1 ZINC000177061937 442292414 /nfs/dbraw/zinc/29/24/14/442292414.db2.gz GSKBPYXCXPNYDC-HNNXBMFYSA-N 2 2 343.562 1.510 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000177379268 442333533 /nfs/dbraw/zinc/33/35/33/442333533.db2.gz WBYZUOMRUGSEJI-IAGOWNOFSA-N 2 2 349.479 1.414 20 0 EDADLP CN(C)CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000154616672 442348569 /nfs/dbraw/zinc/34/85/69/442348569.db2.gz XXVMWYYAJVRIOL-UHFFFAOYSA-N 2 2 346.523 1.535 20 0 EDADLP CN(C)CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000154616672 442348570 /nfs/dbraw/zinc/34/85/70/442348570.db2.gz XXVMWYYAJVRIOL-UHFFFAOYSA-N 2 2 346.523 1.535 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171531225 442354818 /nfs/dbraw/zinc/35/48/18/442354818.db2.gz YRBZAKPFIQXHTM-SFHVURJKSA-N 2 2 341.459 1.747 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171531225 442354821 /nfs/dbraw/zinc/35/48/21/442354821.db2.gz YRBZAKPFIQXHTM-SFHVURJKSA-N 2 2 341.459 1.747 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[NH2+]C1CC1 ZINC000154649719 442349944 /nfs/dbraw/zinc/34/99/44/442349944.db2.gz PGYXQUPUXIHTCW-MRXNPFEDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[NH+](C)CC1 ZINC000130572729 442350160 /nfs/dbraw/zinc/35/01/60/442350160.db2.gz ZOIJLIFPQKLRCN-AWEZNQCLSA-N 2 2 345.422 1.264 20 0 EDADLP c1ccc(-c2noc(CC[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000129333163 442311489 /nfs/dbraw/zinc/31/14/89/442311489.db2.gz OHEGCCXMIJTPBH-INIZCTEOSA-N 2 2 342.443 1.933 20 0 EDADLP c1ccc(-c2noc(CC[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000129333163 442311491 /nfs/dbraw/zinc/31/14/91/442311491.db2.gz OHEGCCXMIJTPBH-INIZCTEOSA-N 2 2 342.443 1.933 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177996559 442400164 /nfs/dbraw/zinc/40/01/64/442400164.db2.gz GSNGYPMWWURVBQ-HUUCEWRRSA-N 2 2 337.489 1.488 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177996559 442400167 /nfs/dbraw/zinc/40/01/67/442400167.db2.gz GSNGYPMWWURVBQ-HUUCEWRRSA-N 2 2 337.489 1.488 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H](C)[NH+]1CCSCC1)[NH+]1CCOCC1 ZINC000130868512 442359401 /nfs/dbraw/zinc/35/94/01/442359401.db2.gz YYCOMPXQDIQRNJ-JKSUJKDBSA-N 2 2 343.537 1.287 20 0 EDADLP CCC(CC)[C@H](C(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000154893138 442362754 /nfs/dbraw/zinc/36/27/54/442362754.db2.gz WAPFDUKIFQZICL-QGZVFWFLSA-N 2 2 336.480 1.869 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000178461314 442435616 /nfs/dbraw/zinc/43/56/16/442435616.db2.gz PAIJYIKIVVZFIU-DLBZAZTESA-N 2 2 349.479 1.340 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133844237 442436518 /nfs/dbraw/zinc/43/65/18/442436518.db2.gz WLRCZIDNLULHKL-CJNGLKHVSA-N 2 2 325.478 1.367 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133844237 442436521 /nfs/dbraw/zinc/43/65/21/442436521.db2.gz WLRCZIDNLULHKL-CJNGLKHVSA-N 2 2 325.478 1.367 20 0 EDADLP CC[C@@]1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000134564986 442494951 /nfs/dbraw/zinc/49/49/51/442494951.db2.gz ZSQDLHZDJGUCKG-KHYOSLBOSA-N 2 2 346.475 1.844 20 0 EDADLP CC[C@]1(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134597618 442498725 /nfs/dbraw/zinc/49/87/25/442498725.db2.gz DYILTZDQZULDRJ-PKOBYXMFSA-N 2 2 331.460 1.396 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cc(OC)c1 ZINC000178852299 442502587 /nfs/dbraw/zinc/50/25/87/442502587.db2.gz BCVWGOVBDNUQRS-MRXNPFEDSA-N 2 2 347.459 1.348 20 0 EDADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000186102790 442463087 /nfs/dbraw/zinc/46/30/87/442463087.db2.gz ZLHVOYCSZHRKFG-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H](c1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1)[NH+]1CCOCC1 ZINC000172783790 442542228 /nfs/dbraw/zinc/54/22/28/442542228.db2.gz FUTQPKTXQJNLBF-PBHICJAKSA-N 2 2 333.432 1.349 20 0 EDADLP C[C@H](c1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1)[NH+]1CCOCC1 ZINC000172783790 442542230 /nfs/dbraw/zinc/54/22/30/442542230.db2.gz FUTQPKTXQJNLBF-PBHICJAKSA-N 2 2 333.432 1.349 20 0 EDADLP C[NH2+]C[C@H]1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000179005103 442550567 /nfs/dbraw/zinc/55/05/67/442550567.db2.gz WJPMRVIAVBUIGL-CQSZACIVSA-N 2 2 332.473 1.944 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000180046114 442532356 /nfs/dbraw/zinc/53/23/56/442532356.db2.gz GASIENNLJQSMOQ-INIZCTEOSA-N 2 2 335.496 1.339 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000180046114 442532360 /nfs/dbraw/zinc/53/23/60/442532360.db2.gz GASIENNLJQSMOQ-INIZCTEOSA-N 2 2 335.496 1.339 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000180046114 442532364 /nfs/dbraw/zinc/53/23/64/442532364.db2.gz GASIENNLJQSMOQ-INIZCTEOSA-N 2 2 335.496 1.339 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000180046114 442532369 /nfs/dbraw/zinc/53/23/69/442532369.db2.gz GASIENNLJQSMOQ-INIZCTEOSA-N 2 2 335.496 1.339 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000186577133 442565437 /nfs/dbraw/zinc/56/54/37/442565437.db2.gz GEEDDYKEGVOMNP-CQSZACIVSA-N 2 2 331.460 1.938 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000186577133 442565440 /nfs/dbraw/zinc/56/54/40/442565440.db2.gz GEEDDYKEGVOMNP-CQSZACIVSA-N 2 2 331.460 1.938 20 0 EDADLP C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000192514258 442656072 /nfs/dbraw/zinc/65/60/72/442656072.db2.gz TXOUGLDEGYLTIP-QFBILLFUSA-N 2 2 334.460 1.912 20 0 EDADLP C[C@]1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCCC[NH2+]1 ZINC000181003109 442674121 /nfs/dbraw/zinc/67/41/21/442674121.db2.gz LAUZLLYUOLODDN-IEBWSBKVSA-N 2 2 331.460 1.396 20 0 EDADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)c1 ZINC000181021743 442675186 /nfs/dbraw/zinc/67/51/86/442675186.db2.gz LFVABZSRKOFEKA-ROUUACIJSA-N 2 2 345.487 1.887 20 0 EDADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022140 442675246 /nfs/dbraw/zinc/67/52/46/442675246.db2.gz XCMPLTATWBMOIL-OALUTQOASA-N 2 2 345.487 1.530 20 0 EDADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181072237 442678883 /nfs/dbraw/zinc/67/88/83/442678883.db2.gz TZFABFCKWSYTHM-AWEZNQCLSA-N 2 2 341.415 1.579 20 0 EDADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181072237 442678885 /nfs/dbraw/zinc/67/88/85/442678885.db2.gz TZFABFCKWSYTHM-AWEZNQCLSA-N 2 2 341.415 1.579 20 0 EDADLP COC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000187755329 442690978 /nfs/dbraw/zinc/69/09/78/442690978.db2.gz LMYYTNPIWAWERG-PMACEKPBSA-N 2 2 348.487 1.437 20 0 EDADLP COC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000187755329 442690981 /nfs/dbraw/zinc/69/09/81/442690981.db2.gz LMYYTNPIWAWERG-PMACEKPBSA-N 2 2 348.487 1.437 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936069 442670076 /nfs/dbraw/zinc/67/00/76/442670076.db2.gz GPJANWRLOVCTOL-MRXNPFEDSA-N 2 2 326.529 1.495 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936069 442670078 /nfs/dbraw/zinc/67/00/78/442670078.db2.gz GPJANWRLOVCTOL-MRXNPFEDSA-N 2 2 326.529 1.495 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180936069 442670079 /nfs/dbraw/zinc/67/00/79/442670079.db2.gz GPJANWRLOVCTOL-MRXNPFEDSA-N 2 2 326.529 1.495 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180936069 442670081 /nfs/dbraw/zinc/67/00/81/442670081.db2.gz GPJANWRLOVCTOL-MRXNPFEDSA-N 2 2 326.529 1.495 20 0 EDADLP CCc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000181809142 442717596 /nfs/dbraw/zinc/71/75/96/442717596.db2.gz CJTONZJTRACQDG-UHFFFAOYSA-N 2 2 334.464 1.035 20 0 EDADLP CCc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000181809142 442717598 /nfs/dbraw/zinc/71/75/98/442717598.db2.gz CJTONZJTRACQDG-UHFFFAOYSA-N 2 2 334.464 1.035 20 0 EDADLP C[C@H](CN1CCOCC1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188279114 442732639 /nfs/dbraw/zinc/73/26/39/442732639.db2.gz LUEBHCXTHPORTK-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H](CN1CCOCC1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188279114 442732641 /nfs/dbraw/zinc/73/26/41/442732641.db2.gz LUEBHCXTHPORTK-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188279114 442732643 /nfs/dbraw/zinc/73/26/43/442732643.db2.gz LUEBHCXTHPORTK-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188279114 442732645 /nfs/dbraw/zinc/73/26/45/442732645.db2.gz LUEBHCXTHPORTK-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188279114 442732647 /nfs/dbraw/zinc/73/26/47/442732647.db2.gz LUEBHCXTHPORTK-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188279114 442732649 /nfs/dbraw/zinc/73/26/49/442732649.db2.gz LUEBHCXTHPORTK-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc[nH+]1 ZINC000246499110 442786818 /nfs/dbraw/zinc/78/68/18/442786818.db2.gz SKLVSHHZLSPFBK-ZJIFWQFVSA-N 3 2 332.496 1.805 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc[nH+]1 ZINC000246499110 442786821 /nfs/dbraw/zinc/78/68/21/442786821.db2.gz SKLVSHHZLSPFBK-ZJIFWQFVSA-N 3 2 332.496 1.805 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000193621591 442760279 /nfs/dbraw/zinc/76/02/79/442760279.db2.gz SMLAUWHKCUWQAX-SFHVURJKSA-N 2 2 331.460 1.475 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000193621591 442760280 /nfs/dbraw/zinc/76/02/80/442760280.db2.gz SMLAUWHKCUWQAX-SFHVURJKSA-N 2 2 331.460 1.475 20 0 EDADLP O=C(NCCC[NH+]1CCC(O)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000265585528 442834158 /nfs/dbraw/zinc/83/41/58/442834158.db2.gz JOHWWYYSAKFGHG-UHFFFAOYSA-N 2 2 342.443 1.508 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2ccc(F)cn2)([NH+]2CCCCC2)CC1 ZINC000182900008 442845230 /nfs/dbraw/zinc/84/52/30/442845230.db2.gz ZIOFPGAJHBZYSV-UHFFFAOYSA-N 2 2 334.439 1.901 20 0 EDADLP COc1cc(C)c([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000178068929 318447536 /nfs/dbraw/zinc/44/75/36/318447536.db2.gz ADTBJPDLYMIJSI-AWEZNQCLSA-N 2 2 335.448 1.437 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000189261152 442907145 /nfs/dbraw/zinc/90/71/45/442907145.db2.gz UUYMWBXMXSQZOD-UHFFFAOYSA-N 2 2 334.420 1.362 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccncc2)[C@@H](C)C1 ZINC000248933825 442938679 /nfs/dbraw/zinc/93/86/79/442938679.db2.gz BRFCKKKJVARTHL-RDJZCZTQSA-N 2 2 334.464 1.747 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccncc2)[C@@H](C)C1 ZINC000248933825 442938683 /nfs/dbraw/zinc/93/86/83/442938683.db2.gz BRFCKKKJVARTHL-RDJZCZTQSA-N 2 2 334.464 1.747 20 0 EDADLP COc1cnccc1[C@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000189560744 442978783 /nfs/dbraw/zinc/97/87/83/442978783.db2.gz SKQQBYVESAVEHT-AWEZNQCLSA-N 2 2 342.447 1.483 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000184607679 443047881 /nfs/dbraw/zinc/04/78/81/443047881.db2.gz WQEDHPWTKCGTRK-QGZVFWFLSA-N 2 2 331.464 1.393 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000184607679 443047885 /nfs/dbraw/zinc/04/78/85/443047885.db2.gz WQEDHPWTKCGTRK-QGZVFWFLSA-N 2 2 331.464 1.393 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000184962698 443107582 /nfs/dbraw/zinc/10/75/82/443107582.db2.gz WAPWXERRXBMAJS-OAHLLOKOSA-N 2 2 332.452 1.101 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000184962698 443107584 /nfs/dbraw/zinc/10/75/84/443107584.db2.gz WAPWXERRXBMAJS-OAHLLOKOSA-N 2 2 332.452 1.101 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735079 443166536 /nfs/dbraw/zinc/16/65/36/443166536.db2.gz LFWKKPQHSDHZTA-NHYWBVRUSA-N 2 2 340.265 1.786 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735079 443166538 /nfs/dbraw/zinc/16/65/38/443166538.db2.gz LFWKKPQHSDHZTA-NHYWBVRUSA-N 2 2 340.265 1.786 20 0 EDADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000268936113 443152288 /nfs/dbraw/zinc/15/22/88/443152288.db2.gz RPDGXEYLDKWRDH-GUYCJALGSA-N 2 2 332.448 1.635 20 0 EDADLP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000268936113 443152292 /nfs/dbraw/zinc/15/22/92/443152292.db2.gz RPDGXEYLDKWRDH-GUYCJALGSA-N 2 2 332.448 1.635 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236946947 443153335 /nfs/dbraw/zinc/15/33/35/443153335.db2.gz BKIUGNPHUATQFD-QFBILLFUSA-N 2 2 344.503 1.263 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236946947 443153345 /nfs/dbraw/zinc/15/33/45/443153345.db2.gz BKIUGNPHUATQFD-QFBILLFUSA-N 2 2 344.503 1.263 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CC[C@@H]([NH3+])c2ccccc2)no1 ZINC000237061577 443158437 /nfs/dbraw/zinc/15/84/37/443158437.db2.gz KBEKCTFIEQABAG-CQSZACIVSA-N 2 2 345.447 1.963 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000261635230 443161900 /nfs/dbraw/zinc/16/19/00/443161900.db2.gz CCJATALBUGBMBK-RCCFBDPRSA-N 2 2 331.460 1.694 20 0 EDADLP CN(C(=O)[C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245744664 443247147 /nfs/dbraw/zinc/24/71/47/443247147.db2.gz WCKMZYZUVYNPHX-KBAYOESNSA-N 2 2 337.508 1.819 20 0 EDADLP CN(C(=O)[C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245744664 443247152 /nfs/dbraw/zinc/24/71/52/443247152.db2.gz WCKMZYZUVYNPHX-KBAYOESNSA-N 2 2 337.508 1.819 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1F ZINC000269244167 443248782 /nfs/dbraw/zinc/24/87/82/443248782.db2.gz SKWZJESWHCEGNH-DYVFJYSZSA-N 2 2 346.406 1.533 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)C1 ZINC000351268122 319098562 /nfs/dbraw/zinc/09/85/62/319098562.db2.gz JDYUYDXMUDQEGQ-IHRRRGAJSA-N 2 2 333.436 1.707 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)C1 ZINC000351268122 319098565 /nfs/dbraw/zinc/09/85/65/319098565.db2.gz JDYUYDXMUDQEGQ-IHRRRGAJSA-N 2 2 333.436 1.707 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000357651753 319112231 /nfs/dbraw/zinc/11/22/31/319112231.db2.gz NMPBCDBZKQFCAN-ZBFHGGJFSA-N 2 2 347.463 1.152 20 0 EDADLP CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000411972259 319217605 /nfs/dbraw/zinc/21/76/05/319217605.db2.gz PUTPKBXKBVLOKW-BEFAXECRSA-N 2 2 349.475 1.717 20 0 EDADLP COCC(COC)[NH+]1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000413471279 319269736 /nfs/dbraw/zinc/26/97/36/319269736.db2.gz FDUFYWSCGGQWOH-UHFFFAOYSA-N 2 2 349.479 1.250 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413545931 319275242 /nfs/dbraw/zinc/27/52/42/319275242.db2.gz RLMNCSXBRNBPTC-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413545931 319275244 /nfs/dbraw/zinc/27/52/44/319275244.db2.gz RLMNCSXBRNBPTC-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CN(C)c1ncc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1C ZINC000414378652 319325659 /nfs/dbraw/zinc/32/56/59/319325659.db2.gz LALZFELOKATQRT-IRXDYDNUSA-N 2 2 335.496 1.344 20 0 EDADLP CN(C)c1[nH+]cc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1C ZINC000414378652 319325661 /nfs/dbraw/zinc/32/56/61/319325661.db2.gz LALZFELOKATQRT-IRXDYDNUSA-N 2 2 335.496 1.344 20 0 EDADLP Cc1ccc(CCC[NH+]2CCC(N3CCCS3(=O)=O)CC2)c[nH+]1 ZINC000414472843 319329043 /nfs/dbraw/zinc/32/90/43/319329043.db2.gz TYFPOHCZCFVPMQ-UHFFFAOYSA-N 2 2 337.489 1.823 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)[C@H](C)C1 ZINC000245919114 443257672 /nfs/dbraw/zinc/25/76/72/443257672.db2.gz XHBZIXIHTIFAIB-OAHLLOKOSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)CC[N@H+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)[C@H](C)C1 ZINC000245919114 443257677 /nfs/dbraw/zinc/25/76/77/443257677.db2.gz XHBZIXIHTIFAIB-OAHLLOKOSA-N 2 2 330.432 1.712 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000414672629 319339192 /nfs/dbraw/zinc/33/91/92/319339192.db2.gz BANYJGSOBVVNDP-IBGZPJMESA-N 2 2 344.503 1.310 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000266933252 443294760 /nfs/dbraw/zinc/29/47/60/443294760.db2.gz PHMRKKWJTJKHST-UHFFFAOYSA-N 2 2 347.850 1.512 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000246017765 443263265 /nfs/dbraw/zinc/26/32/65/443263265.db2.gz MTLPLPBUXASPKT-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000246017765 443263270 /nfs/dbraw/zinc/26/32/70/443263270.db2.gz MTLPLPBUXASPKT-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000246017765 443263276 /nfs/dbraw/zinc/26/32/76/443263276.db2.gz MTLPLPBUXASPKT-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000246017765 443263281 /nfs/dbraw/zinc/26/32/81/443263281.db2.gz MTLPLPBUXASPKT-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416824668 319463668 /nfs/dbraw/zinc/46/36/68/319463668.db2.gz PAZOMCLAGFZOJB-KGLIPLIRSA-N 2 2 340.493 1.419 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416905468 319470772 /nfs/dbraw/zinc/47/07/72/319470772.db2.gz JLCBYSDZQJVHDK-OAHLLOKOSA-N 2 2 331.420 1.427 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)[nH+]c2c1 ZINC000272498392 443340818 /nfs/dbraw/zinc/34/08/18/443340818.db2.gz VIBDJKHZNFLACW-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP CCN(C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1)c1ccccc1 ZINC000266941451 443297836 /nfs/dbraw/zinc/29/78/36/443297836.db2.gz RJYQWHUJOZMBHJ-UHFFFAOYSA-N 2 2 327.432 1.595 20 0 EDADLP C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000272611945 443382375 /nfs/dbraw/zinc/38/23/75/443382375.db2.gz SJVZJRYFFZIRBG-HUUCEWRRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000272611945 443382381 /nfs/dbraw/zinc/38/23/81/443382381.db2.gz SJVZJRYFFZIRBG-HUUCEWRRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1[nH+]ccn1C ZINC000264709270 443384442 /nfs/dbraw/zinc/38/44/42/443384442.db2.gz BWKCNKPLJSOIKP-OAHLLOKOSA-N 2 2 327.432 1.836 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1[nH+]ccn1C ZINC000264709270 443384446 /nfs/dbraw/zinc/38/44/46/443384446.db2.gz BWKCNKPLJSOIKP-OAHLLOKOSA-N 2 2 327.432 1.836 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)CCCCCO)CC1 ZINC000278741649 443421524 /nfs/dbraw/zinc/42/15/24/443421524.db2.gz AERPDQVUUAYQQX-UHFFFAOYSA-N 2 2 347.503 1.734 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCO)CC1 ZINC000278741649 443421526 /nfs/dbraw/zinc/42/15/26/443421526.db2.gz AERPDQVUUAYQQX-UHFFFAOYSA-N 2 2 347.503 1.734 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000278711657 443410388 /nfs/dbraw/zinc/41/03/88/443410388.db2.gz UKACNFRIYHIGHH-UHFFFAOYSA-N 2 2 346.431 1.564 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(O)cc3O)CC2)CC1 ZINC000272837614 443461720 /nfs/dbraw/zinc/46/17/20/443461720.db2.gz QTUNXJNQLMYFLM-UHFFFAOYSA-N 2 2 333.432 1.386 20 0 EDADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000423240029 319758328 /nfs/dbraw/zinc/75/83/28/319758328.db2.gz GUOSBWNRBGSUEI-AWEZNQCLSA-N 2 2 327.494 1.977 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425469836 319841838 /nfs/dbraw/zinc/84/18/38/319841838.db2.gz FFYOUXKNSBRZMS-HNNXBMFYSA-N 2 2 332.448 1.612 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)C[C@@H]1C ZINC000265396327 443627650 /nfs/dbraw/zinc/62/76/50/443627650.db2.gz UQOLLHWLSRAKBM-HNNXBMFYSA-N 2 2 345.447 1.505 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)C[C@@H]1C ZINC000265396327 443627651 /nfs/dbraw/zinc/62/76/51/443627651.db2.gz UQOLLHWLSRAKBM-HNNXBMFYSA-N 2 2 345.447 1.505 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCN(c4ncc[nH]c4=O)C3)n2c1 ZINC000275511078 443629458 /nfs/dbraw/zinc/62/94/58/443629458.db2.gz KIFNJBGLGJBEPG-AWEZNQCLSA-N 2 2 338.415 1.897 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272356110 443601726 /nfs/dbraw/zinc/60/17/26/443601726.db2.gz RLRHAJYYQSMHJB-YOEHRIQHSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272356110 443601727 /nfs/dbraw/zinc/60/17/27/443601727.db2.gz RLRHAJYYQSMHJB-YOEHRIQHSA-N 2 2 325.416 1.824 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000283543672 443657874 /nfs/dbraw/zinc/65/78/74/443657874.db2.gz QEIXTOLROCHOHA-KRWDZBQOSA-N 2 2 346.475 1.182 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000283543672 443657876 /nfs/dbraw/zinc/65/78/76/443657876.db2.gz QEIXTOLROCHOHA-KRWDZBQOSA-N 2 2 346.475 1.182 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000434272030 319996590 /nfs/dbraw/zinc/99/65/90/319996590.db2.gz QFABWTVEIGDBKO-JKSUJKDBSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000434272027 319996652 /nfs/dbraw/zinc/99/66/52/319996652.db2.gz QFABWTVEIGDBKO-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP Cc1nn(C)c(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1Br ZINC000447938396 320148654 /nfs/dbraw/zinc/14/86/54/320148654.db2.gz ABRDYNCCQDXWHP-NSHDSACASA-N 2 2 345.285 1.549 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449376130 320185390 /nfs/dbraw/zinc/18/53/90/320185390.db2.gz KTIGHGLATJDVKA-SMDDNHRTSA-N 2 2 340.265 1.683 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449376130 320185393 /nfs/dbraw/zinc/18/53/93/320185393.db2.gz KTIGHGLATJDVKA-SMDDNHRTSA-N 2 2 340.265 1.683 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389128 320186914 /nfs/dbraw/zinc/18/69/14/320186914.db2.gz RIMGJZRLQQPEQL-PBHICJAKSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389128 320186916 /nfs/dbraw/zinc/18/69/16/320186916.db2.gz RIMGJZRLQQPEQL-PBHICJAKSA-N 2 2 337.439 1.979 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000449391795 320187389 /nfs/dbraw/zinc/18/73/89/320187389.db2.gz ZKBBEUZCYMCZCA-WBVHZDCISA-N 2 2 349.475 1.849 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000449391795 320187391 /nfs/dbraw/zinc/18/73/91/320187391.db2.gz ZKBBEUZCYMCZCA-WBVHZDCISA-N 2 2 349.475 1.849 20 0 EDADLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449391894 320187394 /nfs/dbraw/zinc/18/73/94/320187394.db2.gz IURBHVCRNUUPKP-INIZCTEOSA-N 2 2 336.432 1.175 20 0 EDADLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000449391894 320187396 /nfs/dbraw/zinc/18/73/96/320187396.db2.gz IURBHVCRNUUPKP-INIZCTEOSA-N 2 2 336.432 1.175 20 0 EDADLP COC(=O)[C@@H](N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1(OC)CCC1 ZINC000459386205 320348130 /nfs/dbraw/zinc/34/81/30/320348130.db2.gz HWXJJPKWWKPJFA-MRXNPFEDSA-N 2 2 341.496 1.055 20 0 EDADLP COC(=O)[C@@H](N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1(OC)CCC1 ZINC000459386205 320348131 /nfs/dbraw/zinc/34/81/31/320348131.db2.gz HWXJJPKWWKPJFA-MRXNPFEDSA-N 2 2 341.496 1.055 20 0 EDADLP C[C@@H]1C[N@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2cccnc2)CCCO1 ZINC000280291743 443692860 /nfs/dbraw/zinc/69/28/60/443692860.db2.gz ZFJOZQNQAVDKGW-WBVHZDCISA-N 2 2 329.448 1.985 20 0 EDADLP C[C@@H]1C[N@@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2cccnc2)CCCO1 ZINC000280291743 443692861 /nfs/dbraw/zinc/69/28/61/443692861.db2.gz ZFJOZQNQAVDKGW-WBVHZDCISA-N 2 2 329.448 1.985 20 0 EDADLP C[C@H]1C[NH+](CC2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)C[C@H](C)O1 ZINC000276554964 443745509 /nfs/dbraw/zinc/74/55/09/443745509.db2.gz ILRVIZXNAAGOHC-WCYDHSITSA-N 2 2 332.448 1.771 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000280802913 443745638 /nfs/dbraw/zinc/74/56/38/443745638.db2.gz SMVYTBLDRDAPKK-KURKYZTESA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280802913 443745640 /nfs/dbraw/zinc/74/56/40/443745640.db2.gz SMVYTBLDRDAPKK-KURKYZTESA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280802913 443745642 /nfs/dbraw/zinc/74/56/42/443745642.db2.gz SMVYTBLDRDAPKK-KURKYZTESA-N 2 2 329.444 1.192 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CC3(C[NH3+])CC3)c2)CC1 ZINC000519596203 320468110 /nfs/dbraw/zinc/46/81/10/320468110.db2.gz YYEXECGQSKEPSB-UHFFFAOYSA-N 2 2 344.459 1.418 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000290989159 443728316 /nfs/dbraw/zinc/72/83/16/443728316.db2.gz FNWZFZKOJSKEQQ-GJZGRUSLSA-N 2 2 325.416 1.544 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000298253749 443730495 /nfs/dbraw/zinc/73/04/95/443730495.db2.gz DXMCSUYDGKSPFF-HNNXBMFYSA-N 2 2 347.463 1.060 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000292565619 443800579 /nfs/dbraw/zinc/80/05/79/443800579.db2.gz FMRMMODNCDYYPG-UHFFFAOYSA-N 2 2 342.443 1.554 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276570619 443750184 /nfs/dbraw/zinc/75/01/84/443750184.db2.gz SZJPLACYXOBKLM-HUUCEWRRSA-N 2 2 334.468 1.033 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276570619 443750187 /nfs/dbraw/zinc/75/01/87/443750187.db2.gz SZJPLACYXOBKLM-HUUCEWRRSA-N 2 2 334.468 1.033 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000298558421 443798930 /nfs/dbraw/zinc/79/89/30/443798930.db2.gz PEBXSCFBFZMDMR-ROUUACIJSA-N 2 2 346.475 1.131 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000298558421 443798935 /nfs/dbraw/zinc/79/89/35/443798935.db2.gz PEBXSCFBFZMDMR-ROUUACIJSA-N 2 2 346.475 1.131 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000298558421 443798940 /nfs/dbraw/zinc/79/89/40/443798940.db2.gz PEBXSCFBFZMDMR-ROUUACIJSA-N 2 2 346.475 1.131 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000298558421 443798943 /nfs/dbraw/zinc/79/89/43/443798943.db2.gz PEBXSCFBFZMDMR-ROUUACIJSA-N 2 2 346.475 1.131 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528731157 320560003 /nfs/dbraw/zinc/56/00/03/320560003.db2.gz QQCYYWMRRCTGDS-SFHVURJKSA-N 2 2 348.487 1.921 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288096564 443770565 /nfs/dbraw/zinc/77/05/65/443770565.db2.gz AKKGFLCVOITAMQ-CJNGLKHVSA-N 2 2 341.415 1.393 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288096564 443770566 /nfs/dbraw/zinc/77/05/66/443770566.db2.gz AKKGFLCVOITAMQ-CJNGLKHVSA-N 2 2 341.415 1.393 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288096564 443770568 /nfs/dbraw/zinc/77/05/68/443770568.db2.gz AKKGFLCVOITAMQ-CJNGLKHVSA-N 2 2 341.415 1.393 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288096564 443770570 /nfs/dbraw/zinc/77/05/70/443770570.db2.gz AKKGFLCVOITAMQ-CJNGLKHVSA-N 2 2 341.415 1.393 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1c[nH+]cn1C ZINC000281081781 443813230 /nfs/dbraw/zinc/81/32/30/443813230.db2.gz CUIQHJSATIULBM-DOTOQJQBSA-N 2 2 329.448 1.442 20 0 EDADLP CCc1nc(NC[C@H](O)CN(C)c2cc(C)[nH+]c(CC)n2)cc(C)[nH+]1 ZINC000292725522 443827974 /nfs/dbraw/zinc/82/79/74/443827974.db2.gz LUTIOJDUNMDUAE-AWEZNQCLSA-N 2 2 344.463 1.917 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@@H]2CCc3[nH+]ccn3C2)[nH+]cn1 ZINC000288471313 443892144 /nfs/dbraw/zinc/89/21/44/443892144.db2.gz QYXQNWGFFNBMET-GJZGRUSLSA-N 2 2 342.447 1.699 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@@H]2CCc3[nH+]ccn3C2)nc[nH+]1 ZINC000288471313 443892147 /nfs/dbraw/zinc/89/21/47/443892147.db2.gz QYXQNWGFFNBMET-GJZGRUSLSA-N 2 2 342.447 1.699 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCN(c4[nH+]ccn4C)CC3)[nH+]c12 ZINC000533314231 320687426 /nfs/dbraw/zinc/68/74/26/320687426.db2.gz DEFKKWGZAAVZRM-UHFFFAOYSA-N 2 2 338.415 1.268 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292832525 443853956 /nfs/dbraw/zinc/85/39/56/443853956.db2.gz AODJGXKCDMZLCS-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292832525 443853960 /nfs/dbraw/zinc/85/39/60/443853960.db2.gz AODJGXKCDMZLCS-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292832525 443853965 /nfs/dbraw/zinc/85/39/65/443853965.db2.gz AODJGXKCDMZLCS-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292832525 443853971 /nfs/dbraw/zinc/85/39/71/443853971.db2.gz AODJGXKCDMZLCS-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277063781 443898994 /nfs/dbraw/zinc/89/89/94/443898994.db2.gz DIVCMRJKRYVKGU-JSGCOSHPSA-N 2 2 345.447 1.599 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277063781 443898999 /nfs/dbraw/zinc/89/89/99/443898999.db2.gz DIVCMRJKRYVKGU-JSGCOSHPSA-N 2 2 345.447 1.599 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000288379964 443862703 /nfs/dbraw/zinc/86/27/03/443862703.db2.gz XQCMBUSCLCNWBE-JKSUJKDBSA-N 2 2 349.479 1.141 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000288379964 443862705 /nfs/dbraw/zinc/86/27/05/443862705.db2.gz XQCMBUSCLCNWBE-JKSUJKDBSA-N 2 2 349.479 1.141 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000288379959 443863025 /nfs/dbraw/zinc/86/30/25/443863025.db2.gz XQCMBUSCLCNWBE-HOTGVXAUSA-N 2 2 349.479 1.141 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000288379959 443863028 /nfs/dbraw/zinc/86/30/28/443863028.db2.gz XQCMBUSCLCNWBE-HOTGVXAUSA-N 2 2 349.479 1.141 20 0 EDADLP O=C1C[C@@]2(CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)CN1 ZINC000285261146 443915981 /nfs/dbraw/zinc/91/59/81/443915981.db2.gz IZVAWGMUEBFDDP-FQEVSTJZSA-N 2 2 342.487 1.411 20 0 EDADLP O=C1C[C@@]2(CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)CN1 ZINC000285261146 443915986 /nfs/dbraw/zinc/91/59/86/443915986.db2.gz IZVAWGMUEBFDDP-FQEVSTJZSA-N 2 2 342.487 1.411 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COCc1ccccc1 ZINC000299138432 443965103 /nfs/dbraw/zinc/96/51/03/443965103.db2.gz XLUXHQUOQDLURH-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COCc1ccccc1 ZINC000299138432 443965108 /nfs/dbraw/zinc/96/51/08/443965108.db2.gz XLUXHQUOQDLURH-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000285480642 444000838 /nfs/dbraw/zinc/00/08/38/444000838.db2.gz LKYJCYOKDGXCMW-AWEZNQCLSA-N 2 2 332.370 1.500 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H](O)c1ccccc1 ZINC000293216488 443954101 /nfs/dbraw/zinc/95/41/01/443954101.db2.gz ZJSXXVNIHQVNOG-YJBOKZPZSA-N 2 2 348.491 1.434 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)NC1CC1 ZINC000289043291 444041055 /nfs/dbraw/zinc/04/10/55/444041055.db2.gz BQLPSYSQUHYROA-OAHLLOKOSA-N 2 2 330.432 1.414 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)NC1CC1 ZINC000289043291 444041060 /nfs/dbraw/zinc/04/10/60/444041060.db2.gz BQLPSYSQUHYROA-OAHLLOKOSA-N 2 2 330.432 1.414 20 0 EDADLP Cc1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n2ncnc2n1 ZINC000299458781 444051446 /nfs/dbraw/zinc/05/14/46/444051446.db2.gz BYRZJZSWDOEPID-UHFFFAOYSA-N 2 2 329.452 1.403 20 0 EDADLP CC1(C)C[NH+](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000557448523 321004322 /nfs/dbraw/zinc/00/43/22/321004322.db2.gz IZWCTIQQKADLLI-UHFFFAOYSA-N 2 2 331.460 1.551 20 0 EDADLP COCCOCc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000289157955 444065583 /nfs/dbraw/zinc/06/55/83/444065583.db2.gz QVIIUWOOYCRKKI-UHFFFAOYSA-N 2 2 336.476 1.738 20 0 EDADLP COCCOCc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000289157955 444065589 /nfs/dbraw/zinc/06/55/89/444065589.db2.gz QVIIUWOOYCRKKI-UHFFFAOYSA-N 2 2 336.476 1.738 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000560870738 321029169 /nfs/dbraw/zinc/02/91/69/321029169.db2.gz NLVFYJIYFHHWNB-WOJBJXKFSA-N 2 2 346.519 1.021 20 0 EDADLP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000560987502 321030271 /nfs/dbraw/zinc/03/02/71/321030271.db2.gz WWIDCYGLZGCWNQ-UHFFFAOYSA-N 2 2 329.404 1.121 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000560984589 321030597 /nfs/dbraw/zinc/03/05/97/321030597.db2.gz WULWMWLNRYIINK-SFHVURJKSA-N 2 2 347.463 1.738 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000561145191 321034921 /nfs/dbraw/zinc/03/49/21/321034921.db2.gz DSQYAUSJCTYTCI-WMLDXEAASA-N 2 2 327.432 1.729 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC[NH2+]1 ZINC000561145333 321034975 /nfs/dbraw/zinc/03/49/75/321034975.db2.gz GBAZFMIMTJNXMI-NXHRZFHOSA-N 2 2 346.475 1.500 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccc2n1C ZINC000562765793 321075521 /nfs/dbraw/zinc/07/55/21/321075521.db2.gz XTWKFAIQPNVGQI-OKILXGFUSA-N 2 2 341.415 1.173 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000562986941 321085022 /nfs/dbraw/zinc/08/50/22/321085022.db2.gz DJGXQSQWZPWBHA-HLLBOEOZSA-N 2 2 327.513 1.309 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)CNC2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000562986941 321085024 /nfs/dbraw/zinc/08/50/24/321085024.db2.gz DJGXQSQWZPWBHA-HLLBOEOZSA-N 2 2 327.513 1.309 20 0 EDADLP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000564855284 321151787 /nfs/dbraw/zinc/15/17/87/321151787.db2.gz DVLNHJFQTMNVNC-HOTGVXAUSA-N 2 2 336.432 1.287 20 0 EDADLP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000564855284 321151789 /nfs/dbraw/zinc/15/17/89/321151789.db2.gz DVLNHJFQTMNVNC-HOTGVXAUSA-N 2 2 336.432 1.287 20 0 EDADLP CCC[C@H](O)[C@H](CO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000564973942 321162308 /nfs/dbraw/zinc/16/23/08/321162308.db2.gz BMAZXAPINBTDTN-HFTRVMKXSA-N 2 2 335.448 1.126 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CCO)[C@@H]1CCCc2ccccc21 ZINC000565311763 321180970 /nfs/dbraw/zinc/18/09/70/321180970.db2.gz JGCWGVCCEMGPBR-IEBWSBKVSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CCO)[C@@H]1CCCc2ccccc21 ZINC000565311763 321180972 /nfs/dbraw/zinc/18/09/72/321180972.db2.gz JGCWGVCCEMGPBR-IEBWSBKVSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000565311763 321180973 /nfs/dbraw/zinc/18/09/73/321180973.db2.gz JGCWGVCCEMGPBR-IEBWSBKVSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000565311763 321180975 /nfs/dbraw/zinc/18/09/75/321180975.db2.gz JGCWGVCCEMGPBR-IEBWSBKVSA-N 2 2 336.476 1.297 20 0 EDADLP Cn1cc(-c2ccccc2C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000565474684 321187637 /nfs/dbraw/zinc/18/76/37/321187637.db2.gz NPHZADMNCYRVIQ-MOPGFXCFSA-N 2 2 326.444 1.944 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000565877741 321204332 /nfs/dbraw/zinc/20/43/32/321204332.db2.gz IBRKJDVIFKZLOX-CHWSQXEVSA-N 2 2 346.397 1.988 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000565877741 321204333 /nfs/dbraw/zinc/20/43/33/321204333.db2.gz IBRKJDVIFKZLOX-CHWSQXEVSA-N 2 2 346.397 1.988 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000565881970 321204873 /nfs/dbraw/zinc/20/48/73/321204873.db2.gz RIWKZJPLTAONKB-VNQPRFMTSA-N 2 2 327.432 1.936 20 0 EDADLP COc1ccc([C@@H](C[NH3+])CN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000566303680 321225970 /nfs/dbraw/zinc/22/59/70/321225970.db2.gz FIDKLSSXTUCTCI-SFHVURJKSA-N 2 2 340.471 1.950 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000566303680 321225972 /nfs/dbraw/zinc/22/59/72/321225972.db2.gz FIDKLSSXTUCTCI-SFHVURJKSA-N 2 2 340.471 1.950 20 0 EDADLP FC(F)Oc1ccc([C@H]2C[N@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000567471962 321242602 /nfs/dbraw/zinc/24/26/02/321242602.db2.gz FPOCBWSPQPSJNJ-MRXNPFEDSA-N 2 2 341.402 1.567 20 0 EDADLP FC(F)Oc1ccc([C@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000567471962 321242603 /nfs/dbraw/zinc/24/26/03/321242603.db2.gz FPOCBWSPQPSJNJ-MRXNPFEDSA-N 2 2 341.402 1.567 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000567872994 321263766 /nfs/dbraw/zinc/26/37/66/321263766.db2.gz LKWQMYLKYQQAPM-LSDHHAIUSA-N 2 2 342.867 1.516 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000567872994 321263767 /nfs/dbraw/zinc/26/37/67/321263767.db2.gz LKWQMYLKYQQAPM-LSDHHAIUSA-N 2 2 342.867 1.516 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@](C)(CC)CO)CC2)CC1 ZINC000568228164 321282971 /nfs/dbraw/zinc/28/29/71/321282971.db2.gz QLACJCKNTRDIBR-SFHVURJKSA-N 2 2 325.497 1.414 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@](C)(CC)CO)CC2)CC1 ZINC000568228164 321282972 /nfs/dbraw/zinc/28/29/72/321282972.db2.gz QLACJCKNTRDIBR-SFHVURJKSA-N 2 2 325.497 1.414 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)CC[NH2+]C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000568395947 321289953 /nfs/dbraw/zinc/28/99/53/321289953.db2.gz IRESUIYLDDOODI-INIZCTEOSA-N 3 2 347.507 1.762 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000568707070 321302190 /nfs/dbraw/zinc/30/21/90/321302190.db2.gz CMYPDURXHNCNHQ-HZPDHXFCSA-N 2 2 331.464 1.988 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000568707070 321302192 /nfs/dbraw/zinc/30/21/92/321302192.db2.gz CMYPDURXHNCNHQ-HZPDHXFCSA-N 2 2 331.464 1.988 20 0 EDADLP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000569861761 321330498 /nfs/dbraw/zinc/33/04/98/321330498.db2.gz CTPHKBNELNKNAW-MRXNPFEDSA-N 2 2 339.443 1.694 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000570617967 321350383 /nfs/dbraw/zinc/35/03/83/321350383.db2.gz FIFNTTCMKLICEC-CQSZACIVSA-N 2 2 331.395 1.810 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000570704818 321354599 /nfs/dbraw/zinc/35/45/99/321354599.db2.gz WYNJBXGAXZOMHQ-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000570704818 321354601 /nfs/dbraw/zinc/35/46/01/321354601.db2.gz WYNJBXGAXZOMHQ-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000570704818 321354602 /nfs/dbraw/zinc/35/46/02/321354602.db2.gz WYNJBXGAXZOMHQ-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000570704818 321354604 /nfs/dbraw/zinc/35/46/04/321354604.db2.gz WYNJBXGAXZOMHQ-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(OC(F)F)cc1 ZINC000571148201 321374945 /nfs/dbraw/zinc/37/49/45/321374945.db2.gz BNMSWZZLGPXHHW-YPMHNXCESA-N 2 2 342.390 1.633 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000571429288 321386879 /nfs/dbraw/zinc/38/68/79/321386879.db2.gz MKGSXDSBOQIWFI-BBWFWOEESA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000571429288 321386881 /nfs/dbraw/zinc/38/68/81/321386881.db2.gz MKGSXDSBOQIWFI-BBWFWOEESA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000571429288 321386882 /nfs/dbraw/zinc/38/68/82/321386882.db2.gz MKGSXDSBOQIWFI-BBWFWOEESA-N 2 2 325.497 1.866 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000571653685 321395347 /nfs/dbraw/zinc/39/53/47/321395347.db2.gz XBPVLAPECWNKSK-KRWDZBQOSA-N 2 2 337.439 1.789 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000571653685 321395348 /nfs/dbraw/zinc/39/53/48/321395348.db2.gz XBPVLAPECWNKSK-KRWDZBQOSA-N 2 2 337.439 1.789 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)OCC(=O)N2 ZINC000285960581 444163619 /nfs/dbraw/zinc/16/36/19/444163619.db2.gz GPHWPZSVKWNXLF-SWLSCSKDSA-N 2 2 346.431 1.008 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)OCC(=O)N2 ZINC000285960581 444163622 /nfs/dbraw/zinc/16/36/22/444163622.db2.gz GPHWPZSVKWNXLF-SWLSCSKDSA-N 2 2 346.431 1.008 20 0 EDADLP Cc1ccc2[nH+]ccc(N3CC[NH+](CCS(C)(=O)=O)CC3)c2c1 ZINC000302237758 444210370 /nfs/dbraw/zinc/21/03/70/444210370.db2.gz WLSOFYUPMZSFCY-UHFFFAOYSA-N 2 2 333.457 1.710 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)nc1 ZINC000289883022 444215194 /nfs/dbraw/zinc/21/51/94/444215194.db2.gz SRCKVJZHUWEWIJ-DGCLKSJQSA-N 2 2 327.270 1.741 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Br)nc1 ZINC000289883022 444215196 /nfs/dbraw/zinc/21/51/96/444215196.db2.gz SRCKVJZHUWEWIJ-DGCLKSJQSA-N 2 2 327.270 1.741 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1cc(N3CCC[C@H](CO)C3)nc[nH+]1)C2 ZINC000302624377 444218280 /nfs/dbraw/zinc/21/82/80/444218280.db2.gz FEQZNYHKWXSUCY-GJZGRUSLSA-N 2 2 342.447 1.617 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1cc(N3CCC[C@H](CO)C3)[nH+]cn1)C2 ZINC000302624377 444218283 /nfs/dbraw/zinc/21/82/83/444218283.db2.gz FEQZNYHKWXSUCY-GJZGRUSLSA-N 2 2 342.447 1.617 20 0 EDADLP Cc1cc(C)n(-c2cncc(NCC[NH+]3CCC([NH+](C)C)CC3)n2)n1 ZINC000301560507 444179462 /nfs/dbraw/zinc/17/94/62/444179462.db2.gz UGMOEFYAMMTFKQ-UHFFFAOYSA-N 2 2 343.479 1.717 20 0 EDADLP O[C@@H](C[NH2+]Cc1cnc2cnccn12)C[N@@H+]1CCc2ccccc2C1 ZINC000304598674 444250341 /nfs/dbraw/zinc/25/03/41/444250341.db2.gz AXLHMESXNLRZNL-SFHVURJKSA-N 2 2 337.427 1.238 20 0 EDADLP O[C@@H](C[NH2+]Cc1cnc2cnccn12)C[N@H+]1CCc2ccccc2C1 ZINC000304598674 444250344 /nfs/dbraw/zinc/25/03/44/444250344.db2.gz AXLHMESXNLRZNL-SFHVURJKSA-N 2 2 337.427 1.238 20 0 EDADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)C[C@H]3COCC[NH2+]3)C2=O)cc1 ZINC000576576060 321577954 /nfs/dbraw/zinc/57/79/54/321577954.db2.gz FCVAJGIAJUJTMQ-NJAFHUGGSA-N 2 2 331.460 1.453 20 0 EDADLP Cc1cc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000296731325 444250882 /nfs/dbraw/zinc/25/08/82/444250882.db2.gz CHHQWDZPHHOAQL-CQSZACIVSA-N 2 2 330.436 1.400 20 0 EDADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000290211857 444254704 /nfs/dbraw/zinc/25/47/04/444254704.db2.gz SDLHJOZOEOFTNJ-ZWKOTPCHSA-N 2 2 330.476 1.761 20 0 EDADLP C[NH+](C)CCCC1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000302826427 444225948 /nfs/dbraw/zinc/22/59/48/444225948.db2.gz HHPQBOSEDRHASD-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP C[NH+](C)CCCC1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000302826427 444225950 /nfs/dbraw/zinc/22/59/50/444225950.db2.gz HHPQBOSEDRHASD-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000290770854 444320936 /nfs/dbraw/zinc/32/09/36/444320936.db2.gz PROCABYNXATXON-OAHLLOKOSA-N 2 2 344.459 1.756 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000290770851 444321109 /nfs/dbraw/zinc/32/11/09/444321109.db2.gz PROCABYNXATXON-HNNXBMFYSA-N 2 2 344.459 1.756 20 0 EDADLP Cc1cc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)cc(N2CCCC2)[nH+]1 ZINC000290433963 444280118 /nfs/dbraw/zinc/28/01/18/444280118.db2.gz CAKYUAVMUQXMMQ-HNNXBMFYSA-N 2 2 346.475 1.575 20 0 EDADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000290468999 444284796 /nfs/dbraw/zinc/28/47/96/444284796.db2.gz FCRDMIFJMCXZAO-OAHLLOKOSA-N 2 2 329.404 1.838 20 0 EDADLP COCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000310726845 444292459 /nfs/dbraw/zinc/29/24/59/444292459.db2.gz KZIIFLLUEMYSSG-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP COCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310726845 444292460 /nfs/dbraw/zinc/29/24/60/444292460.db2.gz KZIIFLLUEMYSSG-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311852850 444293783 /nfs/dbraw/zinc/29/37/83/444293783.db2.gz PVPBLSSIPQWSHC-KSZLIROESA-N 2 2 331.460 1.379 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311852850 444293786 /nfs/dbraw/zinc/29/37/86/444293786.db2.gz PVPBLSSIPQWSHC-KSZLIROESA-N 2 2 331.460 1.379 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297896828 444350797 /nfs/dbraw/zinc/35/07/97/444350797.db2.gz PYDRDWZTMMLSDR-CVEARBPZSA-N 2 2 349.479 1.091 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CCn2c[nH+]cc2C1)c1cccc(F)c1 ZINC000290818396 444326337 /nfs/dbraw/zinc/32/63/37/444326337.db2.gz ABCARVSOESDPKZ-MRXNPFEDSA-N 2 2 331.395 1.850 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCN(C=O)CC3)c2cc1C ZINC000297757205 444329687 /nfs/dbraw/zinc/32/96/87/444329687.db2.gz UQLTXPWOVZDPGV-MRXNPFEDSA-N 2 2 330.432 1.178 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@H]2C(F)F)CC1 ZINC000337820384 444422889 /nfs/dbraw/zinc/42/28/89/444422889.db2.gz TWXOSLDYHICAKQ-AWEZNQCLSA-N 2 2 332.439 1.842 20 0 EDADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nnc4n3CCCC4)CC2)C[C@H](C)O1 ZINC000340643751 444469478 /nfs/dbraw/zinc/46/94/78/444469478.db2.gz OKDBWXGMFAOAQB-HOTGVXAUSA-N 2 2 347.507 1.936 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000579572516 321949002 /nfs/dbraw/zinc/94/90/02/321949002.db2.gz VVTMPQVVKNDBHV-DLBZAZTESA-N 2 2 345.491 1.860 20 0 EDADLP CC(C)C[NH+]1CCC(NC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580065385 322004036 /nfs/dbraw/zinc/00/40/36/322004036.db2.gz USHVKSWAQVJXJG-JZXOWHBKSA-N 2 2 327.513 1.167 20 0 EDADLP CC(C)C[NH+]1CCC(NC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580065385 322004037 /nfs/dbraw/zinc/00/40/37/322004037.db2.gz USHVKSWAQVJXJG-JZXOWHBKSA-N 2 2 327.513 1.167 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3[nH]c[nH+]c3C)CC2)CC1 ZINC000580091691 322009121 /nfs/dbraw/zinc/00/91/21/322009121.db2.gz JOMLGXJEQMKEMG-UHFFFAOYSA-N 3 2 333.480 1.531 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000580431454 322050253 /nfs/dbraw/zinc/05/02/53/322050253.db2.gz NIOIRVVGPWHANV-HZPDHXFCSA-N 2 2 326.412 1.002 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000580431454 322050255 /nfs/dbraw/zinc/05/02/55/322050255.db2.gz NIOIRVVGPWHANV-HZPDHXFCSA-N 2 2 326.412 1.002 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000580826599 322099968 /nfs/dbraw/zinc/09/99/68/322099968.db2.gz KCDODHPRAOULFI-ROUUACIJSA-N 2 2 336.476 1.989 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000580826599 322099970 /nfs/dbraw/zinc/09/99/70/322099970.db2.gz KCDODHPRAOULFI-ROUUACIJSA-N 2 2 336.476 1.989 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000580826599 322099973 /nfs/dbraw/zinc/09/99/73/322099973.db2.gz KCDODHPRAOULFI-ROUUACIJSA-N 2 2 336.476 1.989 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000580826599 322099975 /nfs/dbraw/zinc/09/99/75/322099975.db2.gz KCDODHPRAOULFI-ROUUACIJSA-N 2 2 336.476 1.989 20 0 EDADLP COCCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000580875263 322105855 /nfs/dbraw/zinc/10/58/55/322105855.db2.gz BPTMOTNQDBJWBB-GOSISDBHSA-N 2 2 340.439 1.404 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCCCC1 ZINC000581061760 322130806 /nfs/dbraw/zinc/13/08/06/322130806.db2.gz NNQFKMSDLAHJFQ-GOSISDBHSA-N 2 2 345.491 1.816 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000581121152 322138063 /nfs/dbraw/zinc/13/80/63/322138063.db2.gz IFTLAPGBYCGOQV-SJORKVTESA-N 2 2 331.464 1.426 20 0 EDADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000581141808 322141875 /nfs/dbraw/zinc/14/18/75/322141875.db2.gz AUXQBZZRYPZHRV-UHFFFAOYSA-N 2 2 345.403 1.077 20 0 EDADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000581141808 322141877 /nfs/dbraw/zinc/14/18/77/322141877.db2.gz AUXQBZZRYPZHRV-UHFFFAOYSA-N 2 2 345.403 1.077 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCSCCCO)c2cc1C ZINC000581310795 322162650 /nfs/dbraw/zinc/16/26/50/322162650.db2.gz OTFIUBNQUJFCMI-OAHLLOKOSA-N 2 2 337.489 1.719 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2cccnc12 ZINC000581357511 322167697 /nfs/dbraw/zinc/16/76/97/322167697.db2.gz DHZLYCCGUQSVEH-LBPRGKRZSA-N 2 2 329.404 1.350 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2cccnc12 ZINC000581357511 322167699 /nfs/dbraw/zinc/16/76/99/322167699.db2.gz DHZLYCCGUQSVEH-LBPRGKRZSA-N 2 2 329.404 1.350 20 0 EDADLP CC(=O)[C@](C)(O)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000581865589 322224966 /nfs/dbraw/zinc/22/49/66/322224966.db2.gz DCCMNUUIBDMLMI-GOEBONIOSA-N 2 2 337.489 1.769 20 0 EDADLP CC(=O)[C@](C)(O)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000581865589 322224968 /nfs/dbraw/zinc/22/49/68/322224968.db2.gz DCCMNUUIBDMLMI-GOEBONIOSA-N 2 2 337.489 1.769 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000343690341 444522421 /nfs/dbraw/zinc/52/24/21/444522421.db2.gz IZOOOGSAJPHOGH-UHFFFAOYSA-N 2 2 325.416 1.933 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000343690341 444522426 /nfs/dbraw/zinc/52/24/26/444522426.db2.gz IZOOOGSAJPHOGH-UHFFFAOYSA-N 2 2 325.416 1.933 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@@H+]1C ZINC000332800752 444558007 /nfs/dbraw/zinc/55/80/07/444558007.db2.gz WRLYNWGMQSFTEO-VNQPRFMTSA-N 2 2 349.479 1.670 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@H+]1C ZINC000332800752 444558010 /nfs/dbraw/zinc/55/80/10/444558010.db2.gz WRLYNWGMQSFTEO-VNQPRFMTSA-N 2 2 349.479 1.670 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000333005878 444627585 /nfs/dbraw/zinc/62/75/85/444627585.db2.gz MWMXGTIRDCVDKL-UXLLHSPISA-N 2 2 349.479 1.814 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000333005878 444627591 /nfs/dbraw/zinc/62/75/91/444627591.db2.gz MWMXGTIRDCVDKL-UXLLHSPISA-N 2 2 349.479 1.814 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCC(F)(F)F)C1 ZINC000338258115 444592006 /nfs/dbraw/zinc/59/20/06/444592006.db2.gz VZFMHHDJMARWLH-CYBMUJFWSA-N 2 2 339.402 1.344 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCC(F)(F)F)C1 ZINC000338258115 444592009 /nfs/dbraw/zinc/59/20/09/444592009.db2.gz VZFMHHDJMARWLH-CYBMUJFWSA-N 2 2 339.402 1.344 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCC(F)(F)F)C1 ZINC000338258115 444592011 /nfs/dbraw/zinc/59/20/11/444592011.db2.gz VZFMHHDJMARWLH-CYBMUJFWSA-N 2 2 339.402 1.344 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCC(F)(F)F)C1 ZINC000338258115 444592013 /nfs/dbraw/zinc/59/20/13/444592013.db2.gz VZFMHHDJMARWLH-CYBMUJFWSA-N 2 2 339.402 1.344 20 0 EDADLP CC[C@@H](C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000338279206 444607543 /nfs/dbraw/zinc/60/75/43/444607543.db2.gz JCEBSFZAJUXPRB-OAHLLOKOSA-N 2 2 341.496 1.593 20 0 EDADLP CC[C@@H](C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000338279206 444607547 /nfs/dbraw/zinc/60/75/47/444607547.db2.gz JCEBSFZAJUXPRB-OAHLLOKOSA-N 2 2 341.496 1.593 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000333320865 444657464 /nfs/dbraw/zinc/65/74/64/444657464.db2.gz BABHJAFZPOYSES-UONOGXRCSA-N 2 2 335.452 1.641 20 0 EDADLP CCOC(=O)C1CCC([N@H+](CC)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338368652 444659003 /nfs/dbraw/zinc/65/90/03/444659003.db2.gz LEVJXIHTNIFBSA-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1CCC([N@@H+](CC)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338368652 444659005 /nfs/dbraw/zinc/65/90/05/444659005.db2.gz LEVJXIHTNIFBSA-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000333555844 444680587 /nfs/dbraw/zinc/68/05/87/444680587.db2.gz KUBMFFNMRQLKMT-CTWPCTMYSA-N 2 2 342.487 1.034 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000343995169 444716050 /nfs/dbraw/zinc/71/60/50/444716050.db2.gz PFXGHBDPUCYBQC-QAETUUGQSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000343995169 444716054 /nfs/dbraw/zinc/71/60/54/444716054.db2.gz PFXGHBDPUCYBQC-QAETUUGQSA-N 2 2 338.496 1.364 20 0 EDADLP O=c1[nH]nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000341133111 444690905 /nfs/dbraw/zinc/69/09/05/444690905.db2.gz WEYTXOZAIQACDD-UHFFFAOYSA-N 2 2 327.432 1.998 20 0 EDADLP O=c1[nH]nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000341133111 444690909 /nfs/dbraw/zinc/69/09/09/444690909.db2.gz WEYTXOZAIQACDD-UHFFFAOYSA-N 2 2 327.432 1.998 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)C[C@@H](C)O1 ZINC000343959134 444695233 /nfs/dbraw/zinc/69/52/33/444695233.db2.gz GXHJXEDXAGBOEF-DZVNLGKHSA-N 2 2 325.497 1.015 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)C[C@@H](C)O1 ZINC000343959134 444695237 /nfs/dbraw/zinc/69/52/37/444695237.db2.gz GXHJXEDXAGBOEF-DZVNLGKHSA-N 2 2 325.497 1.015 20 0 EDADLP C[C@H](C(=O)N(C)C)[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338633593 444784518 /nfs/dbraw/zinc/78/45/18/444784518.db2.gz QLZMCJAXTQSWNM-KGLIPLIRSA-N 2 2 336.505 1.906 20 0 EDADLP C[C@H](C(=O)N(C)C)[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338633593 444784520 /nfs/dbraw/zinc/78/45/20/444784520.db2.gz QLZMCJAXTQSWNM-KGLIPLIRSA-N 2 2 336.505 1.906 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000334099301 444779491 /nfs/dbraw/zinc/77/94/91/444779491.db2.gz VIFFQMCSRPRALU-QLFBSQMISA-N 2 2 335.452 1.326 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@H]3CCC[NH2+]C3)CCCCCC2)no1 ZINC000342699209 444821943 /nfs/dbraw/zinc/82/19/43/444821943.db2.gz VTQXMZSOHQIYFX-AWEZNQCLSA-N 2 2 349.479 1.797 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nnc(C)n1C1CC1 ZINC000344117177 444790280 /nfs/dbraw/zinc/79/02/80/444790280.db2.gz BJFBPYDRERWBSX-UHFFFAOYSA-N 2 2 334.512 1.771 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nnc(C)n1C1CC1 ZINC000344117177 444790283 /nfs/dbraw/zinc/79/02/83/444790283.db2.gz BJFBPYDRERWBSX-UHFFFAOYSA-N 2 2 334.512 1.771 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[N@@H+]1C ZINC000344182688 444826304 /nfs/dbraw/zinc/82/63/04/444826304.db2.gz HQQXVAZEHLVBEE-QZTJIDSGSA-N 2 2 345.487 1.940 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[N@H+]1C ZINC000344182688 444826307 /nfs/dbraw/zinc/82/63/07/444826307.db2.gz HQQXVAZEHLVBEE-QZTJIDSGSA-N 2 2 345.487 1.940 20 0 EDADLP CN(C)c1nc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)cc[nH+]1 ZINC000336889239 444835531 /nfs/dbraw/zinc/83/55/31/444835531.db2.gz LGKGRJAUOHVTLZ-KRWDZBQOSA-N 2 2 341.459 1.268 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336895836 444839362 /nfs/dbraw/zinc/83/93/62/444839362.db2.gz ZWPZSWWJBFEUGJ-UHFFFAOYSA-N 3 2 343.479 1.650 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000336895836 444839366 /nfs/dbraw/zinc/83/93/66/444839366.db2.gz ZWPZSWWJBFEUGJ-UHFFFAOYSA-N 2 2 343.479 1.650 20 0 EDADLP C[C@@H](C(=O)N1CC([N@H+](C)Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000342759183 444852317 /nfs/dbraw/zinc/85/23/17/444852317.db2.gz PFRZIMZRVVHHPT-HNNXBMFYSA-N 2 2 333.501 1.767 20 0 EDADLP C[C@@H](C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000342759183 444852321 /nfs/dbraw/zinc/85/23/21/444852321.db2.gz PFRZIMZRVVHHPT-HNNXBMFYSA-N 2 2 333.501 1.767 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000342765225 444855957 /nfs/dbraw/zinc/85/59/57/444855957.db2.gz MUYFHEYVEATTMJ-UKRRQHHQSA-N 2 2 348.378 1.045 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CO[C@H]2CCOC2)CC1 ZINC000342802181 444873688 /nfs/dbraw/zinc/87/36/88/444873688.db2.gz ITKJPJWKBSYUPY-HOCLYGCPSA-N 2 2 328.453 1.188 20 0 EDADLP CCNc1nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000341723968 444971153 /nfs/dbraw/zinc/97/11/53/444971153.db2.gz ULFVWAXTBMGLIV-STQMWFEESA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000341723968 444971156 /nfs/dbraw/zinc/97/11/56/444971156.db2.gz ULFVWAXTBMGLIV-STQMWFEESA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000341723968 444971159 /nfs/dbraw/zinc/97/11/59/444971159.db2.gz ULFVWAXTBMGLIV-STQMWFEESA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000341723968 444971163 /nfs/dbraw/zinc/97/11/63/444971163.db2.gz ULFVWAXTBMGLIV-STQMWFEESA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]c(NC(C)(C)C)n1 ZINC000341723968 444971165 /nfs/dbraw/zinc/97/11/65/444971165.db2.gz ULFVWAXTBMGLIV-STQMWFEESA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]c(NC(C)(C)C)n1 ZINC000341723968 444971167 /nfs/dbraw/zinc/97/11/67/444971167.db2.gz ULFVWAXTBMGLIV-STQMWFEESA-N 2 2 333.484 1.396 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000344537504 445043209 /nfs/dbraw/zinc/04/32/09/445043209.db2.gz RSYSEQOWVDNZNE-IBGZPJMESA-N 2 2 344.411 1.793 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000344537504 445043211 /nfs/dbraw/zinc/04/32/11/445043211.db2.gz RSYSEQOWVDNZNE-IBGZPJMESA-N 2 2 344.411 1.793 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CC[C@@H]([NH+](C)C)C3)CC2)cc[nH+]1 ZINC000342036586 445136831 /nfs/dbraw/zinc/13/68/31/445136831.db2.gz FJDRGCGQBANHCE-HUUCEWRRSA-N 2 2 332.452 1.099 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000343150792 445099041 /nfs/dbraw/zinc/09/90/41/445099041.db2.gz GBDRQEZRUBAFON-QFBILLFUSA-N 2 2 334.483 1.878 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000343150792 445099045 /nfs/dbraw/zinc/09/90/45/445099045.db2.gz GBDRQEZRUBAFON-QFBILLFUSA-N 2 2 334.483 1.878 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3F)C2)CC1 ZINC000337497463 445105392 /nfs/dbraw/zinc/10/53/92/445105392.db2.gz JNAWVJHEEQOPTP-MRXNPFEDSA-N 2 2 348.466 1.784 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3F)C2)CC1 ZINC000337497463 445105398 /nfs/dbraw/zinc/10/53/98/445105398.db2.gz JNAWVJHEEQOPTP-MRXNPFEDSA-N 2 2 348.466 1.784 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000330845880 445163931 /nfs/dbraw/zinc/16/39/31/445163931.db2.gz CDSHYDJDYWUGNT-JKSUJKDBSA-N 2 2 339.505 1.770 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000330845880 445163960 /nfs/dbraw/zinc/16/39/60/445163960.db2.gz CDSHYDJDYWUGNT-JKSUJKDBSA-N 2 2 339.505 1.770 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000330845880 445163965 /nfs/dbraw/zinc/16/39/65/445163965.db2.gz CDSHYDJDYWUGNT-JKSUJKDBSA-N 2 2 339.505 1.770 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC000330845880 445163968 /nfs/dbraw/zinc/16/39/68/445163968.db2.gz CDSHYDJDYWUGNT-JKSUJKDBSA-N 2 2 339.505 1.770 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000345209941 445173618 /nfs/dbraw/zinc/17/36/18/445173618.db2.gz PWCHJMRDGVIHPT-LTIDMASMSA-N 2 2 330.476 1.953 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000345209941 445173623 /nfs/dbraw/zinc/17/36/23/445173623.db2.gz PWCHJMRDGVIHPT-LTIDMASMSA-N 2 2 330.476 1.953 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337648349 445186809 /nfs/dbraw/zinc/18/68/09/445186809.db2.gz JRKIQARDDCJJRA-UHFFFAOYSA-N 2 2 327.469 1.251 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337648349 445186813 /nfs/dbraw/zinc/18/68/13/445186813.db2.gz JRKIQARDDCJJRA-UHFFFAOYSA-N 2 2 327.469 1.251 20 0 EDADLP COCCN(C)c1ccc(CNc2nc(N(C)C)cc(C)[nH+]2)c[nH+]1 ZINC000337654491 445189604 /nfs/dbraw/zinc/18/96/04/445189604.db2.gz DMSNHNMFQQXFKP-UHFFFAOYSA-N 2 2 330.436 1.941 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000343308568 445191966 /nfs/dbraw/zinc/19/19/66/445191966.db2.gz YOFOAYUSTAYOQL-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000343308568 445191967 /nfs/dbraw/zinc/19/19/67/445191967.db2.gz YOFOAYUSTAYOQL-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000343308654 445191982 /nfs/dbraw/zinc/19/19/82/445191982.db2.gz YRGNLHSSLAWOLC-MNEFBYGVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000343308654 445191984 /nfs/dbraw/zinc/19/19/84/445191984.db2.gz YRGNLHSSLAWOLC-MNEFBYGVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000343308654 445191986 /nfs/dbraw/zinc/19/19/86/445191986.db2.gz YRGNLHSSLAWOLC-MNEFBYGVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000343308654 445191987 /nfs/dbraw/zinc/19/19/87/445191987.db2.gz YRGNLHSSLAWOLC-MNEFBYGVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000337571808 445144433 /nfs/dbraw/zinc/14/44/33/445144433.db2.gz ZPIRADIYNWVITR-HNNXBMFYSA-N 2 2 330.436 1.440 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)C[C@@H](O)C(F)(F)F)CCC[NH+]1C ZINC000346932178 445228264 /nfs/dbraw/zinc/22/82/64/445228264.db2.gz PXDOEOBYRMTDLG-YUTCNCBUSA-N 2 2 334.386 1.658 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)C[C@@H](O)C(F)(F)F)CCC[N@@H+]1C ZINC000346932178 445228266 /nfs/dbraw/zinc/22/82/66/445228266.db2.gz PXDOEOBYRMTDLG-YUTCNCBUSA-N 2 2 334.386 1.658 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)C[C@@H](O)C(F)(F)F)CCC[N@H+]1C ZINC000346932178 445228267 /nfs/dbraw/zinc/22/82/67/445228267.db2.gz PXDOEOBYRMTDLG-YUTCNCBUSA-N 2 2 334.386 1.658 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[N@@H+](C)CC(=O)N2CCCCC2)CCC[NH+]1C ZINC000346929082 445228467 /nfs/dbraw/zinc/22/84/67/445228467.db2.gz NKYZTQDKXQZIPY-VQIMIIECSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[NH+](C)CC(=O)N2CCCCC2)CCC[N@@H+]1C ZINC000346929082 445228468 /nfs/dbraw/zinc/22/84/68/445228468.db2.gz NKYZTQDKXQZIPY-VQIMIIECSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[NH+](C)CC(=O)N2CCCCC2)CCC[N@H+]1C ZINC000346929082 445228470 /nfs/dbraw/zinc/22/84/70/445228470.db2.gz NKYZTQDKXQZIPY-VQIMIIECSA-N 2 2 347.507 1.747 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC(=O)N(C)[C@H]3c3ccnn3C)n2c1 ZINC000343459398 445226643 /nfs/dbraw/zinc/22/66/43/445226643.db2.gz UNEMDTHCFMMKMZ-KBXCAEBGSA-N 2 2 338.415 1.438 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCC[N@@H+]1C ZINC000343545092 445241486 /nfs/dbraw/zinc/24/14/86/445241486.db2.gz NUPSKXDZUXDRJH-DGCLKSJQSA-N 2 2 330.436 1.247 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCC[N@H+]1C ZINC000343545092 445241488 /nfs/dbraw/zinc/24/14/88/445241488.db2.gz NUPSKXDZUXDRJH-DGCLKSJQSA-N 2 2 330.436 1.247 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102380 445268989 /nfs/dbraw/zinc/26/89/89/445268989.db2.gz NKJPXYNRTUGVCS-IXDOHACOSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102380 445268993 /nfs/dbraw/zinc/26/89/93/445268993.db2.gz NKJPXYNRTUGVCS-IXDOHACOSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348102380 445268995 /nfs/dbraw/zinc/26/89/95/445268995.db2.gz NKJPXYNRTUGVCS-IXDOHACOSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348102380 445268998 /nfs/dbraw/zinc/26/89/98/445268998.db2.gz NKJPXYNRTUGVCS-IXDOHACOSA-N 3 2 337.487 1.749 20 0 EDADLP Cc1noc(C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c2ccccc2)n1 ZINC000351637497 445252482 /nfs/dbraw/zinc/25/24/82/445252482.db2.gz VPNNXAPSZVPUHC-IAGOWNOFSA-N 2 2 330.432 1.707 20 0 EDADLP Cc1noc(C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c2ccccc2)n1 ZINC000351637497 445252484 /nfs/dbraw/zinc/25/24/84/445252484.db2.gz VPNNXAPSZVPUHC-IAGOWNOFSA-N 2 2 330.432 1.707 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000354593729 445307723 /nfs/dbraw/zinc/30/77/23/445307723.db2.gz KFRLSVSZHISRKB-KRWDZBQOSA-N 2 2 344.459 1.584 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000348191438 445311964 /nfs/dbraw/zinc/31/19/64/445311964.db2.gz GIMYTTCTSBWUBW-UHFFFAOYSA-N 2 2 330.432 1.777 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1CCCc2[nH+]ccn21)[NH+]1CCN(C)CC1 ZINC000354630909 445321146 /nfs/dbraw/zinc/32/11/46/445321146.db2.gz WRWAGHYXSGHUKS-CVEARBPZSA-N 2 2 333.480 1.149 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1CCCc2[nH+]ccn21)N1CC[NH+](C)CC1 ZINC000354630909 445321147 /nfs/dbraw/zinc/32/11/47/445321147.db2.gz WRWAGHYXSGHUKS-CVEARBPZSA-N 2 2 333.480 1.149 20 0 EDADLP Cc1cc(C)n(CC[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000348113857 445274286 /nfs/dbraw/zinc/27/42/86/445274286.db2.gz HDUREJBWJSYVOP-SJORKVTESA-N 2 2 348.470 1.778 20 0 EDADLP Cc1cc(C)n(CC[N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000348113857 445274291 /nfs/dbraw/zinc/27/42/91/445274291.db2.gz HDUREJBWJSYVOP-SJORKVTESA-N 2 2 348.470 1.778 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCC[N@@H+]1C ZINC000343638002 445274931 /nfs/dbraw/zinc/27/49/31/445274931.db2.gz YCLHOYRCMFJACK-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCC[N@H+]1C ZINC000343638002 445274934 /nfs/dbraw/zinc/27/49/34/445274934.db2.gz YCLHOYRCMFJACK-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280573 /nfs/dbraw/zinc/28/05/73/445280573.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 2 2 327.513 1.261 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280576 /nfs/dbraw/zinc/28/05/76/445280576.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 2 2 327.513 1.261 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280579 /nfs/dbraw/zinc/28/05/79/445280579.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 2 2 327.513 1.261 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280583 /nfs/dbraw/zinc/28/05/83/445280583.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 2 2 327.513 1.261 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280586 /nfs/dbraw/zinc/28/05/86/445280586.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 2 2 327.513 1.261 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280590 /nfs/dbraw/zinc/28/05/90/445280590.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 2 2 327.513 1.261 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280595 /nfs/dbraw/zinc/28/05/95/445280595.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 2 2 327.513 1.261 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280599 /nfs/dbraw/zinc/28/05/99/445280599.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 2 2 327.513 1.261 20 0 EDADLP CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000343656942 445286598 /nfs/dbraw/zinc/28/65/98/445286598.db2.gz MWCJRSXTDGYVPI-SFHVURJKSA-N 2 2 345.487 1.566 20 0 EDADLP CC(C)(O)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000343656942 445286601 /nfs/dbraw/zinc/28/66/01/445286601.db2.gz MWCJRSXTDGYVPI-SFHVURJKSA-N 2 2 345.487 1.566 20 0 EDADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCS(=O)(=O)N(C)C ZINC000351829279 445336135 /nfs/dbraw/zinc/33/61/35/445336135.db2.gz QNGHGSAKFNEOSS-KRWDZBQOSA-N 2 2 341.521 1.624 20 0 EDADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCS(=O)(=O)N(C)C ZINC000351829279 445336136 /nfs/dbraw/zinc/33/61/36/445336136.db2.gz QNGHGSAKFNEOSS-KRWDZBQOSA-N 2 2 341.521 1.624 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000351864507 445347382 /nfs/dbraw/zinc/34/73/82/445347382.db2.gz YIWPUSAGZDINBG-QWRGUYRKSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000351864507 445347383 /nfs/dbraw/zinc/34/73/83/445347383.db2.gz YIWPUSAGZDINBG-QWRGUYRKSA-N 2 2 341.839 1.965 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCCC[C@H]2O)CC1 ZINC000354641250 445324484 /nfs/dbraw/zinc/32/44/84/445324484.db2.gz XSCJWLNXUUUVBG-HZPDHXFCSA-N 2 2 326.485 1.005 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000357089850 445421031 /nfs/dbraw/zinc/42/10/31/445421031.db2.gz ZKIFYCIKHLFJQP-UHFFFAOYSA-N 2 2 329.803 1.212 20 0 EDADLP COCCO[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000362530681 445426293 /nfs/dbraw/zinc/42/62/93/445426293.db2.gz XUMINEDESIOYBD-OALUTQOASA-N 2 2 349.475 1.456 20 0 EDADLP CSC1(CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[NH+](C)CC1 ZINC000357047549 445393793 /nfs/dbraw/zinc/39/37/93/445393793.db2.gz JTAZXSJDOZEOND-ZDUSSCGKSA-N 2 2 325.482 1.398 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357102877 445430667 /nfs/dbraw/zinc/43/06/67/445430667.db2.gz JDLWXEONRLLRPG-KBPBESRZSA-N 2 2 326.400 1.847 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357102877 445430670 /nfs/dbraw/zinc/43/06/70/445430670.db2.gz JDLWXEONRLLRPG-KBPBESRZSA-N 2 2 326.400 1.847 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)[NH+](C)C ZINC000351953817 445397901 /nfs/dbraw/zinc/39/79/01/445397901.db2.gz LXQHABPOBJVRHD-RRFJBIMHSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)c1nnc([C@@H]2CCCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)[nH]1 ZINC000351955759 445399865 /nfs/dbraw/zinc/39/98/65/445399865.db2.gz DNODDOIUOSVPON-HNNXBMFYSA-N 2 2 348.495 1.619 20 0 EDADLP CC(C)c1nnc([C@@H]2CCCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)[nH]1 ZINC000351955759 445399871 /nfs/dbraw/zinc/39/98/71/445399871.db2.gz DNODDOIUOSVPON-HNNXBMFYSA-N 2 2 348.495 1.619 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(OC(F)F)cc1 ZINC000357109616 445434224 /nfs/dbraw/zinc/43/42/24/445434224.db2.gz WGEWRBATNLSKHP-RYUDHWBXSA-N 2 2 325.359 1.768 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(OC(F)F)cc1 ZINC000357109616 445434227 /nfs/dbraw/zinc/43/42/27/445434227.db2.gz WGEWRBATNLSKHP-RYUDHWBXSA-N 2 2 325.359 1.768 20 0 EDADLP CO[C@@H](C)CCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355100111 445443181 /nfs/dbraw/zinc/44/31/81/445443181.db2.gz HDIAMIPXCWFISZ-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP CO[C@@H](C)CCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355100111 445443185 /nfs/dbraw/zinc/44/31/85/445443185.db2.gz HDIAMIPXCWFISZ-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](C)[NH+](C)C)CC2)cc1 ZINC000359967984 445508043 /nfs/dbraw/zinc/50/80/43/445508043.db2.gz MGTHQICONHGJFL-OAHLLOKOSA-N 2 2 339.505 1.688 20 0 EDADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000362709584 445512197 /nfs/dbraw/zinc/51/21/97/445512197.db2.gz BWPQRJCTYRNNON-GSEOLPGOSA-N 2 2 348.487 1.917 20 0 EDADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000362709584 445512201 /nfs/dbraw/zinc/51/22/01/445512201.db2.gz BWPQRJCTYRNNON-GSEOLPGOSA-N 2 2 348.487 1.917 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360031247 445536718 /nfs/dbraw/zinc/53/67/18/445536718.db2.gz ZYZLAMRCCCVKIB-GDBMZVCRSA-N 2 2 348.491 1.704 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360031247 445536723 /nfs/dbraw/zinc/53/67/23/445536723.db2.gz ZYZLAMRCCCVKIB-GDBMZVCRSA-N 2 2 348.491 1.704 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000355923018 445531692 /nfs/dbraw/zinc/53/16/92/445531692.db2.gz WUTPHFGMLUZPNH-UHFFFAOYSA-N 2 2 334.464 1.693 20 0 EDADLP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352526313 445535057 /nfs/dbraw/zinc/53/50/57/445535057.db2.gz MLYHOOQKZNWRCL-AWEZNQCLSA-N 2 2 344.459 1.954 20 0 EDADLP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352526313 445535061 /nfs/dbraw/zinc/53/50/61/445535061.db2.gz MLYHOOQKZNWRCL-AWEZNQCLSA-N 2 2 344.459 1.954 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000359919844 445488989 /nfs/dbraw/zinc/48/89/89/445488989.db2.gz WXRZGWPSQFSDDV-IAGOWNOFSA-N 2 2 340.512 1.613 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000359919844 445488994 /nfs/dbraw/zinc/48/89/94/445488994.db2.gz WXRZGWPSQFSDDV-IAGOWNOFSA-N 2 2 340.512 1.613 20 0 EDADLP Cc1cc(N2CCC(N(C)C(=O)CCn3cc[nH+]c3)CC2)nc(C)[nH+]1 ZINC000359942939 445498537 /nfs/dbraw/zinc/49/85/37/445498537.db2.gz WPLOCFFSXIZDFC-UHFFFAOYSA-N 2 2 342.447 1.807 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(Cl)c1 ZINC000362697419 445505713 /nfs/dbraw/zinc/50/57/13/445505713.db2.gz KLVNAQOOJWCCNW-CQSZACIVSA-N 2 2 337.851 1.745 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(Cl)c1 ZINC000362697419 445505716 /nfs/dbraw/zinc/50/57/16/445505716.db2.gz KLVNAQOOJWCCNW-CQSZACIVSA-N 2 2 337.851 1.745 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000357248651 445506509 /nfs/dbraw/zinc/50/65/09/445506509.db2.gz RLZBXNNJJUMCMV-AWEZNQCLSA-N 2 2 337.468 1.002 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccccc3O)C2)CC1 ZINC000362791082 445551011 /nfs/dbraw/zinc/55/10/11/445551011.db2.gz FFPLTSKJLHQGMG-AWEZNQCLSA-N 2 2 333.432 1.056 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccccc3O)C2)CC1 ZINC000362791082 445551015 /nfs/dbraw/zinc/55/10/15/445551015.db2.gz FFPLTSKJLHQGMG-AWEZNQCLSA-N 2 2 333.432 1.056 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000360137677 445589677 /nfs/dbraw/zinc/58/96/77/445589677.db2.gz WDMALKTUGPLZRS-INIZCTEOSA-N 3 2 341.544 1.383 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000360137677 445589681 /nfs/dbraw/zinc/58/96/81/445589681.db2.gz WDMALKTUGPLZRS-INIZCTEOSA-N 3 2 341.544 1.383 20 0 EDADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000360137677 445589684 /nfs/dbraw/zinc/58/96/84/445589684.db2.gz WDMALKTUGPLZRS-INIZCTEOSA-N 3 2 341.544 1.383 20 0 EDADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000360137677 445589688 /nfs/dbraw/zinc/58/96/88/445589688.db2.gz WDMALKTUGPLZRS-INIZCTEOSA-N 3 2 341.544 1.383 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000353028914 445572039 /nfs/dbraw/zinc/57/20/39/445572039.db2.gz ONVOBOXKWHNFMI-QGZVFWFLSA-N 3 2 327.513 1.530 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000353028914 445572043 /nfs/dbraw/zinc/57/20/43/445572043.db2.gz ONVOBOXKWHNFMI-QGZVFWFLSA-N 3 2 327.513 1.530 20 0 EDADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccon1 ZINC000349233105 445541741 /nfs/dbraw/zinc/54/17/41/445541741.db2.gz CQZMCVQPPRAAOO-AWEZNQCLSA-N 2 2 344.415 1.796 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000362942929 445620861 /nfs/dbraw/zinc/62/08/61/445620861.db2.gz RIEIGFCPGXMQIL-IEBWSBKVSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000362942929 445620864 /nfs/dbraw/zinc/62/08/64/445620864.db2.gz RIEIGFCPGXMQIL-IEBWSBKVSA-N 2 2 344.503 1.403 20 0 EDADLP c1nn(-c2ccccc2)c2c1C[N@H+](CCC[NH+]1CCOCC1)CC2 ZINC000358510817 445624789 /nfs/dbraw/zinc/62/47/89/445624789.db2.gz PZNZXJKNORUZFM-UHFFFAOYSA-N 2 2 326.444 1.953 20 0 EDADLP c1nn(-c2ccccc2)c2c1C[N@@H+](CCC[NH+]1CCOCC1)CC2 ZINC000358510817 445624791 /nfs/dbraw/zinc/62/47/91/445624791.db2.gz PZNZXJKNORUZFM-UHFFFAOYSA-N 2 2 326.444 1.953 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC1(O)CCC1 ZINC000353532376 445645528 /nfs/dbraw/zinc/64/55/28/445645528.db2.gz UVDNLINKSHLXGX-UHFFFAOYSA-N 2 2 337.489 1.239 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC1(O)CCC1 ZINC000353532376 445645531 /nfs/dbraw/zinc/64/55/31/445645531.db2.gz UVDNLINKSHLXGX-UHFFFAOYSA-N 2 2 337.489 1.239 20 0 EDADLP CN(CCC[NH+]1CCCC1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000358670405 445705454 /nfs/dbraw/zinc/70/54/54/445705454.db2.gz BIGZTBXOBDEFAL-INIZCTEOSA-N 2 2 333.480 1.607 20 0 EDADLP CN(CCC[NH+]1CCCC1)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000358670405 445705457 /nfs/dbraw/zinc/70/54/57/445705457.db2.gz BIGZTBXOBDEFAL-INIZCTEOSA-N 2 2 333.480 1.607 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NCc1[nH+]ccn1CC(F)(F)F ZINC000353694350 445711231 /nfs/dbraw/zinc/71/12/31/445711231.db2.gz DEWBEKLKCFFASD-UHFFFAOYSA-N 2 2 331.342 1.507 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1[nH+]ccn1CC(F)(F)F ZINC000353694350 445711235 /nfs/dbraw/zinc/71/12/35/445711235.db2.gz DEWBEKLKCFFASD-UHFFFAOYSA-N 2 2 331.342 1.507 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000363081174 445670473 /nfs/dbraw/zinc/67/04/73/445670473.db2.gz GGWMUELQPSZIAN-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000363081174 445670477 /nfs/dbraw/zinc/67/04/77/445670477.db2.gz GGWMUELQPSZIAN-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@H](C)[N@H+]1C ZINC000358705627 445730311 /nfs/dbraw/zinc/73/03/11/445730311.db2.gz AXHCGIUHRXEAPE-FCEWJHQRSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@H](C)[N@@H+]1C ZINC000358705627 445730315 /nfs/dbraw/zinc/73/03/15/445730315.db2.gz AXHCGIUHRXEAPE-FCEWJHQRSA-N 2 2 345.487 1.735 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361289697 445757978 /nfs/dbraw/zinc/75/79/78/445757978.db2.gz WMPHUOSCJMCYLO-JKSUJKDBSA-N 2 2 347.463 1.436 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361289697 445757981 /nfs/dbraw/zinc/75/79/81/445757981.db2.gz WMPHUOSCJMCYLO-JKSUJKDBSA-N 2 2 347.463 1.436 20 0 EDADLP CC(C)(CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000363315104 445762600 /nfs/dbraw/zinc/76/26/00/445762600.db2.gz QYBRAXMKRDTIHP-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000363315104 445762604 /nfs/dbraw/zinc/76/26/04/445762604.db2.gz QYBRAXMKRDTIHP-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H](C(=O)OC)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358866004 445819803 /nfs/dbraw/zinc/81/98/03/445819803.db2.gz QSWQJKJZZNUDIV-BFYDXBDKSA-N 2 2 342.480 1.528 20 0 EDADLP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1(C)C ZINC000353947627 445823171 /nfs/dbraw/zinc/82/31/71/445823171.db2.gz NSJTUOMTBKTFAQ-VEDBGLOESA-N 2 2 337.508 1.863 20 0 EDADLP CCO[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1(C)C ZINC000353947627 445823174 /nfs/dbraw/zinc/82/31/74/445823174.db2.gz NSJTUOMTBKTFAQ-VEDBGLOESA-N 2 2 337.508 1.863 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000361479554 445779977 /nfs/dbraw/zinc/77/99/77/445779977.db2.gz SKBQJHDUEWXAOX-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000361479554 445779980 /nfs/dbraw/zinc/77/99/80/445779980.db2.gz SKBQJHDUEWXAOX-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[NH+]2CCCC[C@H]2CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000361479554 445779986 /nfs/dbraw/zinc/77/99/86/445779986.db2.gz SKBQJHDUEWXAOX-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[NH+]2CCCC[C@H]2CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000361479554 445779989 /nfs/dbraw/zinc/77/99/89/445779989.db2.gz SKBQJHDUEWXAOX-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000361493525 445786321 /nfs/dbraw/zinc/78/63/21/445786321.db2.gz SXMITCFUIBEIBB-DOTOQJQBSA-N 2 2 330.476 1.927 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000361493525 445786322 /nfs/dbraw/zinc/78/63/22/445786322.db2.gz SXMITCFUIBEIBB-DOTOQJQBSA-N 2 2 330.476 1.927 20 0 EDADLP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000363453528 445811516 /nfs/dbraw/zinc/81/15/16/445811516.db2.gz YQFRTKQAYPFVKG-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000363453528 445811520 /nfs/dbraw/zinc/81/15/20/445811520.db2.gz YQFRTKQAYPFVKG-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000350681389 445879088 /nfs/dbraw/zinc/87/90/88/445879088.db2.gz JLKIQPIDWDZBOM-MRXNPFEDSA-N 2 2 340.512 1.023 20 0 EDADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nccc(N)n1 ZINC000363508021 445837384 /nfs/dbraw/zinc/83/73/84/445837384.db2.gz AJAHGLPMJVXKTE-UHFFFAOYSA-N 3 2 346.523 1.687 20 0 EDADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nccc(N)n1 ZINC000363508021 445837387 /nfs/dbraw/zinc/83/73/87/445837387.db2.gz AJAHGLPMJVXKTE-UHFFFAOYSA-N 3 2 346.523 1.687 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000354024883 445860525 /nfs/dbraw/zinc/86/05/25/445860525.db2.gz VLEPBSFBQGOMQR-INIZCTEOSA-N 2 2 333.476 1.979 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000354024883 445860529 /nfs/dbraw/zinc/86/05/29/445860529.db2.gz VLEPBSFBQGOMQR-INIZCTEOSA-N 2 2 333.476 1.979 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000356568700 445863229 /nfs/dbraw/zinc/86/32/29/445863229.db2.gz JVMJEIFNHQGMKX-RHSMWYFYSA-N 2 2 332.448 1.256 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000356568700 445863236 /nfs/dbraw/zinc/86/32/36/445863236.db2.gz JVMJEIFNHQGMKX-RHSMWYFYSA-N 2 2 332.448 1.256 20 0 EDADLP CC(C)[N@H+]1C[C@H](NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)[C@@H](C)C1 ZINC000365962947 445931361 /nfs/dbraw/zinc/93/13/61/445931361.db2.gz OZWCKYUNLYAQSS-IRXDYDNUSA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[N@@H+]1C[C@H](NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)[C@@H](C)C1 ZINC000365962947 445931366 /nfs/dbraw/zinc/93/13/66/445931366.db2.gz OZWCKYUNLYAQSS-IRXDYDNUSA-N 2 2 336.524 1.392 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(-c4ccco4)n[nH]3)C2)CC1 ZINC000364210373 445900936 /nfs/dbraw/zinc/90/09/36/445900936.db2.gz ZWMWVVHWLVFHNM-CYBMUJFWSA-N 2 2 343.431 1.568 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(-c4ccco4)n[nH]3)C2)CC1 ZINC000364210373 445900940 /nfs/dbraw/zinc/90/09/40/445900940.db2.gz ZWMWVVHWLVFHNM-CYBMUJFWSA-N 2 2 343.431 1.568 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000369073190 445911419 /nfs/dbraw/zinc/91/14/19/445911419.db2.gz BNFBOQOSGVZBET-KRWDZBQOSA-N 2 2 338.496 1.415 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000369073190 445911425 /nfs/dbraw/zinc/91/14/25/445911425.db2.gz BNFBOQOSGVZBET-KRWDZBQOSA-N 2 2 338.496 1.415 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2CCCC[C@@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000364665059 445942919 /nfs/dbraw/zinc/94/29/19/445942919.db2.gz QORBEWGOTBOJGA-IAGOWNOFSA-N 2 2 345.491 2.522 20 0 EDADLP COc1ccccc1[C@@H](CNc1ncnc2c1C[N@H+](C)CC2)[NH+](C)C ZINC000356655675 445918846 /nfs/dbraw/zinc/91/88/46/445918846.db2.gz DNMSIMUNVXGIOG-QGZVFWFLSA-N 2 2 341.459 2.188 20 0 EDADLP COc1ccccc1[C@@H](CNc1ncnc2c1C[N@@H+](C)CC2)[NH+](C)C ZINC000356655675 445918851 /nfs/dbraw/zinc/91/88/51/445918851.db2.gz DNMSIMUNVXGIOG-QGZVFWFLSA-N 2 2 341.459 2.188 20 0 EDADLP O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc2[nH+]ccn2c1 ZINC000369150549 445955207 /nfs/dbraw/zinc/95/52/07/445955207.db2.gz NAVOLDZQKSHXLE-HOCLYGCPSA-N 2 2 328.416 1.565 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3nnc(C)n3CC)CC2)CC1 ZINC000369153398 445956706 /nfs/dbraw/zinc/95/67/06/445956706.db2.gz CKEBGNFHTZUHSN-UHFFFAOYSA-N 2 2 334.512 1.598 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3nc(C4CC4)no3)CC2)CC1 ZINC000369154982 445958348 /nfs/dbraw/zinc/95/83/48/445958348.db2.gz JHNMMFHQIAEVRM-UHFFFAOYSA-N 2 2 333.480 1.939 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncc([C@@H](C)O)s3)C2)CC1 ZINC000366025103 445969198 /nfs/dbraw/zinc/96/91/98/445969198.db2.gz VCTKHBKBTFEVHU-HUUCEWRRSA-N 2 2 338.521 1.797 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncc([C@@H](C)O)s3)C2)CC1 ZINC000366025103 445969204 /nfs/dbraw/zinc/96/92/04/445969204.db2.gz VCTKHBKBTFEVHU-HUUCEWRRSA-N 2 2 338.521 1.797 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n(C)c1C ZINC000366066977 445991666 /nfs/dbraw/zinc/99/16/66/445991666.db2.gz HCSACJCIJZUVST-GOEBONIOSA-N 2 2 335.448 1.463 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)n(C)c1C ZINC000366066977 445991671 /nfs/dbraw/zinc/99/16/71/445991671.db2.gz HCSACJCIJZUVST-GOEBONIOSA-N 2 2 335.448 1.463 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366076433 445997171 /nfs/dbraw/zinc/99/71/71/445997171.db2.gz GJBQHRPOXBOQGO-HOCLYGCPSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366076433 445997178 /nfs/dbraw/zinc/99/71/78/445997178.db2.gz GJBQHRPOXBOQGO-HOCLYGCPSA-N 2 2 326.485 1.125 20 0 EDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366108245 446017753 /nfs/dbraw/zinc/01/77/53/446017753.db2.gz YFTWCBIJHWRBML-CYBMUJFWSA-N 2 2 331.420 1.633 20 0 EDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366108245 446017757 /nfs/dbraw/zinc/01/77/57/446017757.db2.gz YFTWCBIJHWRBML-CYBMUJFWSA-N 2 2 331.420 1.633 20 0 EDADLP CN(C(=O)NCC[N@H+](C)C1CC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000369244473 446018403 /nfs/dbraw/zinc/01/84/03/446018403.db2.gz RMYJFLMSGFKOPP-UHFFFAOYSA-N 2 2 331.464 1.786 20 0 EDADLP CN(C(=O)NCC[N@@H+](C)C1CC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000369244473 446018406 /nfs/dbraw/zinc/01/84/06/446018406.db2.gz RMYJFLMSGFKOPP-UHFFFAOYSA-N 2 2 331.464 1.786 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4[nH]cnc4c3)C2)CC1 ZINC000369251697 446023174 /nfs/dbraw/zinc/02/31/74/446023174.db2.gz CTNFALIKCAWRGT-CQSZACIVSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4[nH]cnc4c3)C2)CC1 ZINC000369251697 446023178 /nfs/dbraw/zinc/02/31/78/446023178.db2.gz CTNFALIKCAWRGT-CQSZACIVSA-N 2 2 327.432 1.461 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000359203267 446032196 /nfs/dbraw/zinc/03/21/96/446032196.db2.gz CRMALMOEAZUKKG-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP COc1ccc(F)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273162 446037465 /nfs/dbraw/zinc/03/74/65/446037465.db2.gz FVAABYPIGDKGKA-AWEZNQCLSA-N 2 2 335.423 1.733 20 0 EDADLP COc1ccc(F)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273162 446037475 /nfs/dbraw/zinc/03/74/75/446037475.db2.gz FVAABYPIGDKGKA-AWEZNQCLSA-N 2 2 335.423 1.733 20 0 EDADLP Cc1cc(N2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000351345380 446038664 /nfs/dbraw/zinc/03/86/64/446038664.db2.gz XKJMUGOWYYTKST-KRWDZBQOSA-N 2 2 347.507 1.486 20 0 EDADLP Cc1cc(N2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000351345380 446038670 /nfs/dbraw/zinc/03/86/70/446038670.db2.gz XKJMUGOWYYTKST-KRWDZBQOSA-N 2 2 347.507 1.486 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@H]1C ZINC000354219017 446013296 /nfs/dbraw/zinc/01/32/96/446013296.db2.gz CHGNAYUFXUTWDE-XMTFNYHQSA-N 2 2 337.508 1.961 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@H]1C ZINC000354219017 446013303 /nfs/dbraw/zinc/01/33/03/446013303.db2.gz CHGNAYUFXUTWDE-XMTFNYHQSA-N 2 2 337.508 1.961 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@H]1C ZINC000354219017 446013308 /nfs/dbraw/zinc/01/33/08/446013308.db2.gz CHGNAYUFXUTWDE-XMTFNYHQSA-N 2 2 337.508 1.961 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@H]1C ZINC000354219017 446013314 /nfs/dbraw/zinc/01/33/14/446013314.db2.gz CHGNAYUFXUTWDE-XMTFNYHQSA-N 2 2 337.508 1.961 20 0 EDADLP CN(C(=O)CCOCC(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365083032 446013309 /nfs/dbraw/zinc/01/33/09/446013309.db2.gz GTKINMXPHSXODT-CQSZACIVSA-N 2 2 333.423 1.285 20 0 EDADLP CN(C(=O)CCOCC(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365083032 446013312 /nfs/dbraw/zinc/01/33/12/446013312.db2.gz GTKINMXPHSXODT-CQSZACIVSA-N 2 2 333.423 1.285 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000583267045 326039082 /nfs/dbraw/zinc/03/90/82/326039082.db2.gz GKFLUHYWFIAOFI-KRWDZBQOSA-N 2 2 347.507 1.288 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000583267045 326039086 /nfs/dbraw/zinc/03/90/86/326039086.db2.gz GKFLUHYWFIAOFI-KRWDZBQOSA-N 2 2 347.507 1.288 20 0 EDADLP Cc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)no1 ZINC000583312887 326047296 /nfs/dbraw/zinc/04/72/96/326047296.db2.gz VNYODSCZSSVKBO-OAHLLOKOSA-N 2 2 327.432 1.525 20 0 EDADLP Cc1ccccc1-c1nc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)no1 ZINC000583312887 326047297 /nfs/dbraw/zinc/04/72/97/326047297.db2.gz VNYODSCZSSVKBO-OAHLLOKOSA-N 2 2 327.432 1.525 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000583906955 326162517 /nfs/dbraw/zinc/16/25/17/326162517.db2.gz FVDLHNPGSDXZCO-UHFFFAOYSA-N 2 2 339.461 1.037 20 0 EDADLP CCCCCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000365225669 446088347 /nfs/dbraw/zinc/08/83/47/446088347.db2.gz CPHBEZOUBKSDDY-DLBZAZTESA-N 2 2 325.497 1.732 20 0 EDADLP CCCCCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000365225669 446088351 /nfs/dbraw/zinc/08/83/51/446088351.db2.gz CPHBEZOUBKSDDY-DLBZAZTESA-N 2 2 325.497 1.732 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000356854963 446073412 /nfs/dbraw/zinc/07/34/12/446073412.db2.gz PLIDSTSSRLGMJA-MTSZKFMLSA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000356854963 446073415 /nfs/dbraw/zinc/07/34/15/446073415.db2.gz PLIDSTSSRLGMJA-MTSZKFMLSA-N 2 2 325.497 1.671 20 0 EDADLP Cc1nc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(C)c(C)[nH+]1 ZINC000366199270 446078408 /nfs/dbraw/zinc/07/84/08/446078408.db2.gz WOUBYWRCIZJDFK-UHFFFAOYSA-N 2 2 331.464 1.392 20 0 EDADLP CO[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000361929484 446078907 /nfs/dbraw/zinc/07/89/07/446078907.db2.gz NNZICVHQFIOIBF-IAGOWNOFSA-N 2 2 325.497 1.186 20 0 EDADLP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000361929484 446078909 /nfs/dbraw/zinc/07/89/09/446078909.db2.gz NNZICVHQFIOIBF-IAGOWNOFSA-N 2 2 325.497 1.186 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366212998 446085772 /nfs/dbraw/zinc/08/57/72/446085772.db2.gz XRPZPFCCFPGRIT-ZWKOTPCHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000356873820 446086891 /nfs/dbraw/zinc/08/68/91/446086891.db2.gz KPBDJKYVSALLAC-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000356873820 446086893 /nfs/dbraw/zinc/08/68/93/446086893.db2.gz KPBDJKYVSALLAC-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000365301784 446134523 /nfs/dbraw/zinc/13/45/23/446134523.db2.gz YOHKFNMGLJLLFQ-AWEZNQCLSA-N 2 2 333.480 1.998 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000365301784 446134529 /nfs/dbraw/zinc/13/45/29/446134529.db2.gz YOHKFNMGLJLLFQ-AWEZNQCLSA-N 2 2 333.480 1.998 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CCO1 ZINC000354353981 446136928 /nfs/dbraw/zinc/13/69/28/446136928.db2.gz OANBYRAQGURCRO-ZIAGYGMSSA-N 2 2 347.488 2.478 20 0 EDADLP C[C@@H]1C[N@H+]([C@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CCO1 ZINC000354353981 446136934 /nfs/dbraw/zinc/13/69/34/446136934.db2.gz OANBYRAQGURCRO-ZIAGYGMSSA-N 2 2 347.488 2.478 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000366240930 446102174 /nfs/dbraw/zinc/10/21/74/446102174.db2.gz NEODYGQDKYTWRL-KRWDZBQOSA-N 2 2 329.444 1.799 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000359356379 446170689 /nfs/dbraw/zinc/17/06/89/446170689.db2.gz CUAOIAFYSNDOOM-UHFFFAOYSA-N 2 2 338.452 1.355 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cnn(C)c2C)CC1 ZINC000362051291 446179009 /nfs/dbraw/zinc/17/90/09/446179009.db2.gz AKPYVQHIROHJDP-DOTOQJQBSA-N 2 2 333.480 1.418 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]2c2cnn(C)c2C)CC1 ZINC000362051291 446179015 /nfs/dbraw/zinc/17/90/15/446179015.db2.gz AKPYVQHIROHJDP-DOTOQJQBSA-N 2 2 333.480 1.418 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000365409387 446193539 /nfs/dbraw/zinc/19/35/39/446193539.db2.gz JSZVEPDHPIRMRT-MRXNPFEDSA-N 2 2 339.480 1.204 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC2CCC3(CC2)OCCO3)CC1 ZINC000365409387 446193545 /nfs/dbraw/zinc/19/35/45/446193545.db2.gz JSZVEPDHPIRMRT-MRXNPFEDSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354415024 446188503 /nfs/dbraw/zinc/18/85/03/446188503.db2.gz YMFLGLDBKIBTJH-WMZOPIPTSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354415024 446188507 /nfs/dbraw/zinc/18/85/07/446188507.db2.gz YMFLGLDBKIBTJH-WMZOPIPTSA-N 2 2 337.508 1.820 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000359315851 446144353 /nfs/dbraw/zinc/14/43/53/446144353.db2.gz YDGQVLNRIZKVFK-CHWSQXEVSA-N 2 2 342.270 1.803 20 0 EDADLP COC(C)(C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369791737 446155791 /nfs/dbraw/zinc/15/57/91/446155791.db2.gz SAZLFEMPZDDALM-GJZGRUSLSA-N 2 2 340.512 1.658 20 0 EDADLP COC(C)(C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369791737 446155797 /nfs/dbraw/zinc/15/57/97/446155797.db2.gz SAZLFEMPZDDALM-GJZGRUSLSA-N 2 2 340.512 1.658 20 0 EDADLP CCCCCC[C@@H](O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000365412873 446195095 /nfs/dbraw/zinc/19/50/95/446195095.db2.gz ONSILGQWEXVAMX-QGZVFWFLSA-N 2 2 325.497 1.556 20 0 EDADLP CCCCCC[C@@H](O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000365412873 446195101 /nfs/dbraw/zinc/19/51/01/446195101.db2.gz ONSILGQWEXVAMX-QGZVFWFLSA-N 2 2 325.497 1.556 20 0 EDADLP C[C@H](NC(=O)NC1CC([NH+]2CCCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000365440750 446207587 /nfs/dbraw/zinc/20/75/87/446207587.db2.gz VQNQWXCAMOZZIG-JUVOFCAFSA-N 2 2 338.496 1.412 20 0 EDADLP CCCS(=O)(=O)NC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351619606 446213446 /nfs/dbraw/zinc/21/34/46/446213446.db2.gz MTEMZBVLRYFQPU-MRXNPFEDSA-N 2 2 331.526 1.655 20 0 EDADLP CCCS(=O)(=O)NC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351619606 446213449 /nfs/dbraw/zinc/21/34/49/446213449.db2.gz MTEMZBVLRYFQPU-MRXNPFEDSA-N 2 2 331.526 1.655 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N[C@H]2CCc3[nH+]ccn3C2)[nH+]cn1 ZINC000365486843 446228068 /nfs/dbraw/zinc/22/80/68/446228068.db2.gz QSPSLORJONXKAP-UONOGXRCSA-N 2 2 328.420 1.451 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N[C@H]2CCc3[nH+]ccn3C2)nc[nH+]1 ZINC000365486843 446228070 /nfs/dbraw/zinc/22/80/70/446228070.db2.gz QSPSLORJONXKAP-UONOGXRCSA-N 2 2 328.420 1.451 20 0 EDADLP CC(C)CC[C@H](O)C[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000366497180 446238215 /nfs/dbraw/zinc/23/82/15/446238215.db2.gz ZFTHHORTACRBQO-FGTMMUONSA-N 2 2 327.513 1.120 20 0 EDADLP CC(C)CC[C@H](O)C[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000366497180 446238218 /nfs/dbraw/zinc/23/82/18/446238218.db2.gz ZFTHHORTACRBQO-FGTMMUONSA-N 2 2 327.513 1.120 20 0 EDADLP CC(C)CC[C@H](O)C[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000366497180 446238221 /nfs/dbraw/zinc/23/82/21/446238221.db2.gz ZFTHHORTACRBQO-FGTMMUONSA-N 2 2 327.513 1.120 20 0 EDADLP C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000365609618 446273371 /nfs/dbraw/zinc/27/33/71/446273371.db2.gz BDNMMRZKOMGBSI-OAHLLOKOSA-N 2 2 343.431 1.097 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000366618927 446282946 /nfs/dbraw/zinc/28/29/46/446282946.db2.gz COGQAPREAHCMOO-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362252427 446287016 /nfs/dbraw/zinc/28/70/16/446287016.db2.gz CBXLGFDBKWCDTC-XJKSGUPXSA-N 2 2 340.431 1.549 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362252427 446287019 /nfs/dbraw/zinc/28/70/19/446287019.db2.gz CBXLGFDBKWCDTC-XJKSGUPXSA-N 2 2 340.431 1.549 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3nnc4n3CCOC4)C2)c1 ZINC000370470694 446293509 /nfs/dbraw/zinc/29/35/09/446293509.db2.gz PSBPXWWHTYUDMO-CQSZACIVSA-N 2 2 328.420 1.446 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nnc4n3CCOC4)C2)c1 ZINC000370470694 446293512 /nfs/dbraw/zinc/29/35/12/446293512.db2.gz PSBPXWWHTYUDMO-CQSZACIVSA-N 2 2 328.420 1.446 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C1 ZINC000373746371 446321815 /nfs/dbraw/zinc/32/18/15/446321815.db2.gz NZMKZIDKCAJGSB-CYBMUJFWSA-N 2 2 341.393 1.615 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000362362084 446334774 /nfs/dbraw/zinc/33/47/74/446334774.db2.gz UYDDOHHKMLMWQT-GFCCVEGCSA-N 2 2 347.385 1.929 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000362362084 446334775 /nfs/dbraw/zinc/33/47/75/446334775.db2.gz UYDDOHHKMLMWQT-GFCCVEGCSA-N 2 2 347.385 1.929 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)CCC(C)C)CC2)C1 ZINC000373674444 446298193 /nfs/dbraw/zinc/29/81/93/446298193.db2.gz VVFXOFGHOQOBGS-ZWKOTPCHSA-N 2 2 327.513 1.122 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)CCC(C)C)CC2)C1 ZINC000373674444 446298195 /nfs/dbraw/zinc/29/81/95/446298195.db2.gz VVFXOFGHOQOBGS-ZWKOTPCHSA-N 2 2 327.513 1.122 20 0 EDADLP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000370619925 446360526 /nfs/dbraw/zinc/36/05/26/446360526.db2.gz IBBJILPPBBHRPP-NVXWUHKLSA-N 3 2 348.539 1.443 20 0 EDADLP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000370619925 446360532 /nfs/dbraw/zinc/36/05/32/446360532.db2.gz IBBJILPPBBHRPP-NVXWUHKLSA-N 3 2 348.539 1.443 20 0 EDADLP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000370619925 446360538 /nfs/dbraw/zinc/36/05/38/446360538.db2.gz IBBJILPPBBHRPP-NVXWUHKLSA-N 3 2 348.539 1.443 20 0 EDADLP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000370619925 446360541 /nfs/dbraw/zinc/36/05/41/446360541.db2.gz IBBJILPPBBHRPP-NVXWUHKLSA-N 3 2 348.539 1.443 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000374386278 446366686 /nfs/dbraw/zinc/36/66/86/446366686.db2.gz MOWFLISBHNFCTN-GOEBONIOSA-N 2 2 332.448 1.256 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000374386278 446366692 /nfs/dbraw/zinc/36/66/92/446366692.db2.gz MOWFLISBHNFCTN-GOEBONIOSA-N 2 2 332.448 1.256 20 0 EDADLP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000376209535 446381014 /nfs/dbraw/zinc/38/10/14/446381014.db2.gz HAXFUDXTWDUVNT-GOSISDBHSA-N 2 2 330.476 1.409 20 0 EDADLP CC[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000376209535 446381021 /nfs/dbraw/zinc/38/10/21/446381021.db2.gz HAXFUDXTWDUVNT-GOSISDBHSA-N 2 2 330.476 1.409 20 0 EDADLP CC[NH+](CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000376209535 446381026 /nfs/dbraw/zinc/38/10/26/446381026.db2.gz HAXFUDXTWDUVNT-GOSISDBHSA-N 2 2 330.476 1.409 20 0 EDADLP CC[NH+](CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000376209535 446381032 /nfs/dbraw/zinc/38/10/32/446381032.db2.gz HAXFUDXTWDUVNT-GOSISDBHSA-N 2 2 330.476 1.409 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000417919118 446386079 /nfs/dbraw/zinc/38/60/79/446386079.db2.gz CPBGQPYAYDPIAQ-CABCVRRESA-N 2 2 340.830 1.838 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000417919118 446386082 /nfs/dbraw/zinc/38/60/82/446386082.db2.gz CPBGQPYAYDPIAQ-CABCVRRESA-N 2 2 340.830 1.838 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417950995 446397278 /nfs/dbraw/zinc/39/72/78/446397278.db2.gz LATOLAMQJYZJOF-UVBJJODRSA-N 2 2 338.402 1.713 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417950995 446397280 /nfs/dbraw/zinc/39/72/80/446397280.db2.gz LATOLAMQJYZJOF-UVBJJODRSA-N 2 2 338.402 1.713 20 0 EDADLP CN1CCN(c2cc(N(CCC[NH3+])CC3CCCC3)[nH+]cn2)CC1=O ZINC000420257767 446436289 /nfs/dbraw/zinc/43/62/89/446436289.db2.gz WVNJBODQFGXHIW-UHFFFAOYSA-N 2 2 346.479 1.100 20 0 EDADLP CN1CCN(c2cc(N(CCC[NH3+])CC3CCCC3)nc[nH+]2)CC1=O ZINC000420257767 446436296 /nfs/dbraw/zinc/43/62/96/446436296.db2.gz WVNJBODQFGXHIW-UHFFFAOYSA-N 2 2 346.479 1.100 20 0 EDADLP C[NH+](C)[C@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000431862101 446438659 /nfs/dbraw/zinc/43/86/59/446438659.db2.gz XIWFKEDDRDZBCZ-QZTJIDSGSA-N 2 2 331.460 1.613 20 0 EDADLP COCCOCc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423143061 446440746 /nfs/dbraw/zinc/44/07/46/446440746.db2.gz WGBJQNQPBUIXJT-OALUTQOASA-N 2 2 334.460 1.706 20 0 EDADLP c1nc(N2CCSCC2)cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420271632 446442737 /nfs/dbraw/zinc/44/27/37/446442737.db2.gz KGXLLSXHTQRYPZ-HUUCEWRRSA-N 2 2 333.505 1.856 20 0 EDADLP c1nc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(N2CCSCC2)[nH+]1 ZINC000420271632 446442744 /nfs/dbraw/zinc/44/27/44/446442744.db2.gz KGXLLSXHTQRYPZ-HUUCEWRRSA-N 2 2 333.505 1.856 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423162599 446443316 /nfs/dbraw/zinc/44/33/16/446443316.db2.gz UEGXNHNAXCJHBZ-PMPSAXMXSA-N 2 2 325.478 1.397 20 0 EDADLP CCOCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000366901100 446403841 /nfs/dbraw/zinc/40/38/41/446403841.db2.gz OYRQAVLFXRPJQB-SJPCQFCGSA-N 2 2 335.492 1.573 20 0 EDADLP CCOCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000366901100 446403845 /nfs/dbraw/zinc/40/38/45/446403845.db2.gz OYRQAVLFXRPJQB-SJPCQFCGSA-N 2 2 335.492 1.573 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000370731349 446407343 /nfs/dbraw/zinc/40/73/43/446407343.db2.gz WALAHSLRHCQQQO-HYVNUMGLSA-N 2 2 336.480 1.118 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000370731349 446407349 /nfs/dbraw/zinc/40/73/49/446407349.db2.gz WALAHSLRHCQQQO-HYVNUMGLSA-N 2 2 336.480 1.118 20 0 EDADLP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000370731349 446407354 /nfs/dbraw/zinc/40/73/54/446407354.db2.gz WALAHSLRHCQQQO-HYVNUMGLSA-N 2 2 336.480 1.118 20 0 EDADLP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000370731349 446407359 /nfs/dbraw/zinc/40/73/59/446407359.db2.gz WALAHSLRHCQQQO-HYVNUMGLSA-N 2 2 336.480 1.118 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420295101 446458028 /nfs/dbraw/zinc/45/80/28/446458028.db2.gz UUPRPZSVJMYFBV-HIFRSBDPSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420295101 446458036 /nfs/dbraw/zinc/45/80/36/446458036.db2.gz UUPRPZSVJMYFBV-HIFRSBDPSA-N 2 2 333.432 1.861 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000420311933 446475882 /nfs/dbraw/zinc/47/58/82/446475882.db2.gz WJBXJLWJOOMGQF-UKRRQHHQSA-N 2 2 340.489 1.635 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000420311933 446475887 /nfs/dbraw/zinc/47/58/87/446475887.db2.gz WJBXJLWJOOMGQF-UKRRQHHQSA-N 2 2 340.489 1.635 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCCc1cccc2cccnc21 ZINC000420314600 446480235 /nfs/dbraw/zinc/48/02/35/446480235.db2.gz VWIUHBNJKNCDCL-FQEVSTJZSA-N 2 2 338.455 1.579 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCCc1cccc2cccnc21 ZINC000420314600 446480242 /nfs/dbraw/zinc/48/02/42/446480242.db2.gz VWIUHBNJKNCDCL-FQEVSTJZSA-N 2 2 338.455 1.579 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000423328877 446489948 /nfs/dbraw/zinc/48/99/48/446489948.db2.gz SOCIYYGEOSODLU-WBVHZDCISA-N 2 2 326.444 1.978 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000420327737 446496208 /nfs/dbraw/zinc/49/62/08/446496208.db2.gz YYCCEXRRJKXQEY-FUHWJXTLSA-N 2 2 330.432 1.335 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000420327737 446496213 /nfs/dbraw/zinc/49/62/13/446496213.db2.gz YYCCEXRRJKXQEY-FUHWJXTLSA-N 2 2 330.432 1.335 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000370873849 446493369 /nfs/dbraw/zinc/49/33/69/446493369.db2.gz UUGRRGFZJWDTDF-XHSDSOJGSA-N 2 2 334.464 1.451 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000370873849 446493377 /nfs/dbraw/zinc/49/33/77/446493377.db2.gz UUGRRGFZJWDTDF-XHSDSOJGSA-N 2 2 334.464 1.451 20 0 EDADLP O=C(NCC1CCOCC1)[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000367070711 446502672 /nfs/dbraw/zinc/50/26/72/446502672.db2.gz GGSMTCLLGLFWFM-GOSISDBHSA-N 2 2 337.508 1.870 20 0 EDADLP O=C(NCC1CCOCC1)[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000367070711 446502674 /nfs/dbraw/zinc/50/26/74/446502674.db2.gz GGSMTCLLGLFWFM-GOSISDBHSA-N 2 2 337.508 1.870 20 0 EDADLP COC(=O)c1cc(C)nc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000376449679 446503859 /nfs/dbraw/zinc/50/38/59/446503859.db2.gz NOWREIUPTORUFU-AWEZNQCLSA-N 2 2 347.463 1.176 20 0 EDADLP CC[N@H+](CCOCCO)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000367105709 446507389 /nfs/dbraw/zinc/50/73/89/446507389.db2.gz GGJQTIQRINABGL-UHFFFAOYSA-N 2 2 327.494 1.740 20 0 EDADLP CC[N@@H+](CCOCCO)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000367105709 446507394 /nfs/dbraw/zinc/50/73/94/446507394.db2.gz GGJQTIQRINABGL-UHFFFAOYSA-N 2 2 327.494 1.740 20 0 EDADLP CC[NH+](CCOCCO)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000367105709 446507402 /nfs/dbraw/zinc/50/74/02/446507402.db2.gz GGJQTIQRINABGL-UHFFFAOYSA-N 2 2 327.494 1.740 20 0 EDADLP CC[NH+](CCOCCO)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000367105709 446507409 /nfs/dbraw/zinc/50/74/09/446507409.db2.gz GGJQTIQRINABGL-UHFFFAOYSA-N 2 2 327.494 1.740 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCC2)CCO1 ZINC000432806588 446507563 /nfs/dbraw/zinc/50/75/63/446507563.db2.gz POHQAFAYEGLSCB-HOCLYGCPSA-N 2 2 335.452 1.425 20 0 EDADLP O[C@H](COCC(F)(F)F)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432796182 446508353 /nfs/dbraw/zinc/50/83/53/446508353.db2.gz ZXYGTGTVKVCBSC-STQMWFEESA-N 2 2 347.381 1.949 20 0 EDADLP O[C@H](COCC(F)(F)F)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432796182 446508358 /nfs/dbraw/zinc/50/83/58/446508358.db2.gz ZXYGTGTVKVCBSC-STQMWFEESA-N 2 2 347.381 1.949 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000420328251 446497263 /nfs/dbraw/zinc/49/72/63/446497263.db2.gz FEXHNFXHBJEJAQ-XKQJLSEDSA-N 2 2 345.443 1.162 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000420328251 446497269 /nfs/dbraw/zinc/49/72/69/446497269.db2.gz FEXHNFXHBJEJAQ-XKQJLSEDSA-N 2 2 345.443 1.162 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000420329973 446498609 /nfs/dbraw/zinc/49/86/09/446498609.db2.gz KNVFDPKQEYJOCH-UHFFFAOYSA-N 2 2 331.395 1.680 20 0 EDADLP Cc1cc(NC(=O)C[N@H+](C)C2CC([NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000420329973 446498616 /nfs/dbraw/zinc/49/86/16/446498616.db2.gz KNVFDPKQEYJOCH-UHFFFAOYSA-N 2 2 331.395 1.680 20 0 EDADLP C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329505 446499591 /nfs/dbraw/zinc/49/95/91/446499591.db2.gz OKZJHPBBKSEOEK-HUUCEWRRSA-N 2 2 348.495 1.927 20 0 EDADLP C[C@H](c1nnnn1C1CCCCC1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329505 446499594 /nfs/dbraw/zinc/49/95/94/446499594.db2.gz OKZJHPBBKSEOEK-HUUCEWRRSA-N 2 2 348.495 1.927 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418481884 446559069 /nfs/dbraw/zinc/55/90/69/446559069.db2.gz AGXDVZAVRADNSA-INIZCTEOSA-N 2 2 332.448 1.260 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420387634 446562364 /nfs/dbraw/zinc/56/23/64/446562364.db2.gz WBPOSUGGPDNIBP-DOTOQJQBSA-N 2 2 343.431 1.596 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420387634 446562371 /nfs/dbraw/zinc/56/23/71/446562371.db2.gz WBPOSUGGPDNIBP-DOTOQJQBSA-N 2 2 343.431 1.596 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[N@@H+]1C[C@H](C)O ZINC000423401565 446518080 /nfs/dbraw/zinc/51/80/80/446518080.db2.gz XRVIRFAYOBTOER-OZVIIMIRSA-N 2 2 341.402 1.268 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[N@H+]1C[C@H](C)O ZINC000423401565 446518088 /nfs/dbraw/zinc/51/80/88/446518088.db2.gz XRVIRFAYOBTOER-OZVIIMIRSA-N 2 2 341.402 1.268 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418376624 446521106 /nfs/dbraw/zinc/52/11/06/446521106.db2.gz UYTAPFBWEUUQHI-GNJLHFKMSA-N 2 2 328.460 1.779 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1ccc2ccccc2c1 ZINC000420350252 446527390 /nfs/dbraw/zinc/52/73/90/446527390.db2.gz GDLYDIAPYWRPKI-SUNYJGFJSA-N 2 2 329.444 1.657 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1ccc2ccccc2c1 ZINC000420350252 446527394 /nfs/dbraw/zinc/52/73/94/446527394.db2.gz GDLYDIAPYWRPKI-SUNYJGFJSA-N 2 2 329.444 1.657 20 0 EDADLP CCCCNc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000367265114 446529954 /nfs/dbraw/zinc/52/99/54/446529954.db2.gz SDIXNYBMTHQESA-AWEZNQCLSA-N 2 2 334.468 1.358 20 0 EDADLP CCCCNc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]c(N)n1 ZINC000367265114 446529961 /nfs/dbraw/zinc/52/99/61/446529961.db2.gz SDIXNYBMTHQESA-AWEZNQCLSA-N 2 2 334.468 1.358 20 0 EDADLP O=C(CO)N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411422677 446533587 /nfs/dbraw/zinc/53/35/87/446533587.db2.gz TXRHYKUQPAZHCD-UHFFFAOYSA-N 2 2 331.460 1.309 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000420360160 446540119 /nfs/dbraw/zinc/54/01/19/446540119.db2.gz GGPKVSVYNSNDHU-LJQANCHMSA-N 2 2 347.459 1.396 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000420360160 446540121 /nfs/dbraw/zinc/54/01/21/446540121.db2.gz GGPKVSVYNSNDHU-LJQANCHMSA-N 2 2 347.459 1.396 20 0 EDADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000420361987 446540973 /nfs/dbraw/zinc/54/09/73/446540973.db2.gz YTIMTJJGNQLORW-MFKMUULPSA-N 2 2 331.338 1.062 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000420361987 446540982 /nfs/dbraw/zinc/54/09/82/446540982.db2.gz YTIMTJJGNQLORW-MFKMUULPSA-N 2 2 331.338 1.062 20 0 EDADLP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCOCC1 ZINC000453083541 446543414 /nfs/dbraw/zinc/54/34/14/446543414.db2.gz DJPIGVKQFKNTSJ-HZPDHXFCSA-N 2 2 341.496 1.103 20 0 EDADLP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCOCC1 ZINC000453083541 446543419 /nfs/dbraw/zinc/54/34/19/446543419.db2.gz DJPIGVKQFKNTSJ-HZPDHXFCSA-N 2 2 341.496 1.103 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423468129 446548934 /nfs/dbraw/zinc/54/89/34/446548934.db2.gz JKUJHTLCKJXYSM-KFWWJZLASA-N 2 2 347.463 1.152 20 0 EDADLP c1ccc(-c2nnc([C@@H]3CCC[N@H+]3CCN3CC[NH2+]CC3)[nH]2)cc1 ZINC000420371655 446551065 /nfs/dbraw/zinc/55/10/65/446551065.db2.gz KVAWUJYOFHGZIF-INIZCTEOSA-N 2 2 326.448 1.514 20 0 EDADLP c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3CCN3CC[NH2+]CC3)[nH]2)cc1 ZINC000420371655 446551071 /nfs/dbraw/zinc/55/10/71/446551071.db2.gz KVAWUJYOFHGZIF-INIZCTEOSA-N 2 2 326.448 1.514 20 0 EDADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000423500849 446554961 /nfs/dbraw/zinc/55/49/61/446554961.db2.gz DAUWLOBUXBKGOU-ZWKOTPCHSA-N 2 2 328.464 1.211 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423501793 446556012 /nfs/dbraw/zinc/55/60/12/446556012.db2.gz DSFUBMOAOBOCJJ-GUYCJALGSA-N 2 2 331.464 1.525 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420396037 446570199 /nfs/dbraw/zinc/57/01/99/446570199.db2.gz VCQBELRDQBDTIK-SFHVURJKSA-N 2 2 349.475 1.277 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420396037 446570206 /nfs/dbraw/zinc/57/02/06/446570206.db2.gz VCQBELRDQBDTIK-SFHVURJKSA-N 2 2 349.475 1.277 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418621636 446618485 /nfs/dbraw/zinc/61/84/85/446618485.db2.gz SYMOGHXICUUSAF-USXIJHARSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418621636 446618487 /nfs/dbraw/zinc/61/84/87/446618487.db2.gz SYMOGHXICUUSAF-USXIJHARSA-N 3 2 339.528 1.312 20 0 EDADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)ccc1S(C)(=O)=O ZINC000423561787 446575550 /nfs/dbraw/zinc/57/55/50/446575550.db2.gz QCFSYVCDIBTRLI-TZMCWYRMSA-N 2 2 326.462 1.891 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@H]1C[NH3+] ZINC000420405855 446578728 /nfs/dbraw/zinc/57/87/28/446578728.db2.gz MZTORJNBNIWFSE-HZPDHXFCSA-N 2 2 345.491 1.927 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@H]1C[NH3+] ZINC000420405855 446578734 /nfs/dbraw/zinc/57/87/34/446578734.db2.gz MZTORJNBNIWFSE-HZPDHXFCSA-N 2 2 345.491 1.927 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000433493903 446583363 /nfs/dbraw/zinc/58/33/63/446583363.db2.gz NTRRUUXBLWLAQY-KRWDZBQOSA-N 3 2 336.505 1.109 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418545719 446588507 /nfs/dbraw/zinc/58/85/07/446588507.db2.gz GCOPSXWHAHGUNS-QGZVFWFLSA-N 2 2 334.439 1.795 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)CC2 ZINC000423593797 446594305 /nfs/dbraw/zinc/59/43/05/446594305.db2.gz MRCSGPQIRZVTNU-BBRMVZONSA-N 2 2 347.459 1.176 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)CC2 ZINC000423593797 446594308 /nfs/dbraw/zinc/59/43/08/446594308.db2.gz MRCSGPQIRZVTNU-BBRMVZONSA-N 2 2 347.459 1.176 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423595977 446595167 /nfs/dbraw/zinc/59/51/67/446595167.db2.gz QWBFWQMATNLYND-HOTGVXAUSA-N 2 2 347.459 1.448 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423595977 446595173 /nfs/dbraw/zinc/59/51/73/446595173.db2.gz QWBFWQMATNLYND-HOTGVXAUSA-N 2 2 347.459 1.448 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC1 ZINC000376615772 446607685 /nfs/dbraw/zinc/60/76/85/446607685.db2.gz SBGDWZJIIZAPEJ-GUDVDZBRSA-N 2 2 343.471 1.265 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC1 ZINC000376615772 446607687 /nfs/dbraw/zinc/60/76/87/446607687.db2.gz SBGDWZJIIZAPEJ-GUDVDZBRSA-N 2 2 343.471 1.265 20 0 EDADLP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000423715236 446655234 /nfs/dbraw/zinc/65/52/34/446655234.db2.gz UHRSPWBMTZAXCS-CRAIPNDOSA-N 2 2 333.863 1.984 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(C)C ZINC000376704393 446663190 /nfs/dbraw/zinc/66/31/90/446663190.db2.gz WKZJQIIARFQJFW-GOSISDBHSA-N 2 2 333.476 1.734 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C(C)C ZINC000376704393 446663195 /nfs/dbraw/zinc/66/31/95/446663195.db2.gz WKZJQIIARFQJFW-GOSISDBHSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(C)C ZINC000376704393 446663201 /nfs/dbraw/zinc/66/32/01/446663201.db2.gz WKZJQIIARFQJFW-GOSISDBHSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(C)C ZINC000376704393 446663204 /nfs/dbraw/zinc/66/32/04/446663204.db2.gz WKZJQIIARFQJFW-GOSISDBHSA-N 2 2 333.476 1.734 20 0 EDADLP COC(C[NH+]1CCCC2(CCC[N@@H+](CC(OC)OC)C2)C1)OC ZINC000368069605 446626575 /nfs/dbraw/zinc/62/65/75/446626575.db2.gz ALHKVYJMDOFBSJ-UHFFFAOYSA-N 2 2 330.469 1.402 20 0 EDADLP COC(C[NH+]1CCCC2(CCC[N@H+](CC(OC)OC)C2)C1)OC ZINC000368069605 446626584 /nfs/dbraw/zinc/62/65/84/446626584.db2.gz ALHKVYJMDOFBSJ-UHFFFAOYSA-N 2 2 330.469 1.402 20 0 EDADLP CC(C)c1nc(N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)cc[nH+]1 ZINC000434229661 446628414 /nfs/dbraw/zinc/62/84/14/446628414.db2.gz WNMZVGWDHJCTAD-ZDUSSCGKSA-N 2 2 343.435 1.389 20 0 EDADLP CC(C)c1nc(N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)cc[nH+]1 ZINC000434229661 446628420 /nfs/dbraw/zinc/62/84/20/446628420.db2.gz WNMZVGWDHJCTAD-ZDUSSCGKSA-N 2 2 343.435 1.389 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000435337105 446687952 /nfs/dbraw/zinc/68/79/52/446687952.db2.gz UBLGFZNXMVOMLG-OAHLLOKOSA-N 2 2 330.436 2.099 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@]12CCOC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000375276131 446689232 /nfs/dbraw/zinc/68/92/32/446689232.db2.gz FQXOGDWDEDLTIJ-IBGZPJMESA-N 2 2 344.459 1.375 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@]12CCOC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000375276131 446689239 /nfs/dbraw/zinc/68/92/39/446689239.db2.gz FQXOGDWDEDLTIJ-IBGZPJMESA-N 2 2 344.459 1.375 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)n1 ZINC000435346422 446692681 /nfs/dbraw/zinc/69/26/81/446692681.db2.gz RRUIRWRNRXNHQF-CVYDXHPNSA-N 2 2 347.507 2.478 20 0 EDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000418782973 446700152 /nfs/dbraw/zinc/70/01/52/446700152.db2.gz FPJVDAAXLPRQQV-IAGOWNOFSA-N 2 2 346.475 1.520 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280648 446739332 /nfs/dbraw/zinc/73/93/32/446739332.db2.gz RJVLTRXWCWQAJW-SJLPKXTDSA-N 3 2 330.476 1.361 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280648 446739338 /nfs/dbraw/zinc/73/93/38/446739338.db2.gz RJVLTRXWCWQAJW-SJLPKXTDSA-N 3 2 330.476 1.361 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])COC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423820345 446711109 /nfs/dbraw/zinc/71/11/09/446711109.db2.gz GNOLAXAOOCGGEI-VNHYZAJKSA-N 2 2 345.365 1.329 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])COC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423820345 446711114 /nfs/dbraw/zinc/71/11/14/446711114.db2.gz GNOLAXAOOCGGEI-VNHYZAJKSA-N 2 2 345.365 1.329 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423824195 446714031 /nfs/dbraw/zinc/71/40/31/446714031.db2.gz KHCRHSYOHVEJTP-GUTXKFCHSA-N 2 2 327.350 1.717 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423824195 446714035 /nfs/dbraw/zinc/71/40/35/446714035.db2.gz KHCRHSYOHVEJTP-GUTXKFCHSA-N 2 2 327.350 1.717 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371189467 446681165 /nfs/dbraw/zinc/68/11/65/446681165.db2.gz SWOHYSPWEXVEAW-FGTMMUONSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371189467 446681172 /nfs/dbraw/zinc/68/11/72/446681172.db2.gz SWOHYSPWEXVEAW-FGTMMUONSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371291976 446748523 /nfs/dbraw/zinc/74/85/23/446748523.db2.gz ALICRJNXWTXDTF-ARFHVFGLSA-N 2 2 332.510 1.383 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371291976 446748527 /nfs/dbraw/zinc/74/85/27/446748527.db2.gz ALICRJNXWTXDTF-ARFHVFGLSA-N 2 2 332.510 1.383 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423906716 446758033 /nfs/dbraw/zinc/75/80/33/446758033.db2.gz AARQRPJBYSJDQW-HPZZRFSDSA-N 2 2 337.464 1.776 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423906716 446758038 /nfs/dbraw/zinc/75/80/38/446758038.db2.gz AARQRPJBYSJDQW-HPZZRFSDSA-N 2 2 337.464 1.776 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)C(=O)NCCC[NH3+])ccc2n1C1CC1 ZINC000418908798 446789982 /nfs/dbraw/zinc/78/99/82/446789982.db2.gz SOEYTJXIOWDWCW-UHFFFAOYSA-N 2 2 343.431 1.015 20 0 EDADLP C[C@H](CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH2+]C1 ZINC000423886164 446743891 /nfs/dbraw/zinc/74/38/91/446743891.db2.gz ZZSSHXFFCNBGIJ-BPQIPLTHSA-N 2 2 337.508 1.581 20 0 EDADLP C[C@H](CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH2+]C1 ZINC000423886164 446743897 /nfs/dbraw/zinc/74/38/97/446743897.db2.gz ZZSSHXFFCNBGIJ-BPQIPLTHSA-N 2 2 337.508 1.581 20 0 EDADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178607 450436313 /nfs/dbraw/zinc/43/63/13/450436313.db2.gz YAPNGKPVUFLRRM-GDBMZVCRSA-N 2 2 340.427 1.627 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423978901 446803573 /nfs/dbraw/zinc/80/35/73/446803573.db2.gz XHVDJLVTVGAOPG-INIZCTEOSA-N 2 2 334.464 1.039 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423978901 446803580 /nfs/dbraw/zinc/80/35/80/446803580.db2.gz XHVDJLVTVGAOPG-INIZCTEOSA-N 2 2 334.464 1.039 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CCC([NH2+]C)CC1)c1ccccc1 ZINC000419002662 446859239 /nfs/dbraw/zinc/85/92/39/446859239.db2.gz MMGSUDBNUIAADV-UHFFFAOYSA-N 2 2 346.475 1.230 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCC([NH2+]C)CC1)c1ccccc1 ZINC000419002662 446859243 /nfs/dbraw/zinc/85/92/43/446859243.db2.gz MMGSUDBNUIAADV-UHFFFAOYSA-N 2 2 346.475 1.230 20 0 EDADLP Clc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(-n2cncn2)c1 ZINC000368444441 446867271 /nfs/dbraw/zinc/86/72/71/446867271.db2.gz ZEXXSOKURDQIIG-HOTGVXAUSA-N 2 2 347.850 1.874 20 0 EDADLP Clc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(-n2cncn2)c1 ZINC000368444441 446867275 /nfs/dbraw/zinc/86/72/75/446867275.db2.gz ZEXXSOKURDQIIG-HOTGVXAUSA-N 2 2 347.850 1.874 20 0 EDADLP CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420896471 446875561 /nfs/dbraw/zinc/87/55/61/446875561.db2.gz ASPXGHBWRYPZAT-UHFFFAOYSA-N 2 2 333.476 1.819 20 0 EDADLP CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420896471 446875563 /nfs/dbraw/zinc/87/55/63/446875563.db2.gz ASPXGHBWRYPZAT-UHFFFAOYSA-N 2 2 333.476 1.819 20 0 EDADLP CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899885 446876961 /nfs/dbraw/zinc/87/69/61/446876961.db2.gz GVQIOKZTCWSJRJ-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899885 446876969 /nfs/dbraw/zinc/87/69/69/446876969.db2.gz GVQIOKZTCWSJRJ-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CC1CCC([NH+]2CCC([N@H+](C)CC(=O)N3CCNC3=O)CC2)CC1 ZINC000371498185 446893041 /nfs/dbraw/zinc/89/30/41/446893041.db2.gz WTKGTIVFMNCUNU-UHFFFAOYSA-N 2 2 336.480 1.513 20 0 EDADLP CC1CCC([NH+]2CCC([N@@H+](C)CC(=O)N3CCNC3=O)CC2)CC1 ZINC000371498185 446893044 /nfs/dbraw/zinc/89/30/44/446893044.db2.gz WTKGTIVFMNCUNU-UHFFFAOYSA-N 2 2 336.480 1.513 20 0 EDADLP CCN1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C(C)(C)C1=O ZINC000420925262 446893462 /nfs/dbraw/zinc/89/34/62/446893462.db2.gz VNHRVCXFGGNDOJ-UHFFFAOYSA-N 2 2 345.487 1.962 20 0 EDADLP CCN1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C(C)(C)C1=O ZINC000420925262 446893467 /nfs/dbraw/zinc/89/34/67/446893467.db2.gz VNHRVCXFGGNDOJ-UHFFFAOYSA-N 2 2 345.487 1.962 20 0 EDADLP CC(C)(CNC(=O)c1cccn1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000368506485 446907301 /nfs/dbraw/zinc/90/73/01/446907301.db2.gz AICSIHSZOWHZQX-UHFFFAOYSA-N 2 2 334.464 1.253 20 0 EDADLP O=C1CCCN1[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420954470 446924982 /nfs/dbraw/zinc/92/49/82/446924982.db2.gz VWHBFUWWFLAJHN-IBGZPJMESA-N 2 2 343.471 1.716 20 0 EDADLP O=C1CCCN1[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420954470 446924988 /nfs/dbraw/zinc/92/49/88/446924988.db2.gz VWHBFUWWFLAJHN-IBGZPJMESA-N 2 2 343.471 1.716 20 0 EDADLP COc1ncc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)n1 ZINC000375618990 446928752 /nfs/dbraw/zinc/92/87/52/446928752.db2.gz BVZXMGGTSAPKAW-AWEZNQCLSA-N 2 2 333.480 1.394 20 0 EDADLP COc1ncc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)n1 ZINC000375618990 446928761 /nfs/dbraw/zinc/92/87/61/446928761.db2.gz BVZXMGGTSAPKAW-AWEZNQCLSA-N 2 2 333.480 1.394 20 0 EDADLP COc1ncc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)n1 ZINC000375618990 446928769 /nfs/dbraw/zinc/92/87/69/446928769.db2.gz BVZXMGGTSAPKAW-AWEZNQCLSA-N 2 2 333.480 1.394 20 0 EDADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCOC1 ZINC000420962739 446931897 /nfs/dbraw/zinc/93/18/97/446931897.db2.gz KYRQSTUFLDNETD-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCOC1 ZINC000420962739 446931905 /nfs/dbraw/zinc/93/19/05/446931905.db2.gz KYRQSTUFLDNETD-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP Cc1noc(C)c1CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377134943 446942219 /nfs/dbraw/zinc/94/22/19/446942219.db2.gz WPYUWFFOYGTMOD-ZDUSSCGKSA-N 2 2 349.479 1.601 20 0 EDADLP Cc1noc(C)c1CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377134943 446942227 /nfs/dbraw/zinc/94/22/27/446942227.db2.gz WPYUWFFOYGTMOD-ZDUSSCGKSA-N 2 2 349.479 1.601 20 0 EDADLP O=C(C[N@@H+]1CCCC12CCOCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000368574083 446951292 /nfs/dbraw/zinc/95/12/92/446951292.db2.gz XANVETSRJCELER-UHFFFAOYSA-N 2 2 347.459 1.569 20 0 EDADLP O=C(C[N@H+]1CCCC12CCOCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000368574083 446951296 /nfs/dbraw/zinc/95/12/96/446951296.db2.gz XANVETSRJCELER-UHFFFAOYSA-N 2 2 347.459 1.569 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758215 446953451 /nfs/dbraw/zinc/95/34/51/446953451.db2.gz OLRJQPLSPLNVGQ-FCLJQHQZSA-N 2 2 329.444 1.321 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758215 446953459 /nfs/dbraw/zinc/95/34/59/446953459.db2.gz OLRJQPLSPLNVGQ-FCLJQHQZSA-N 2 2 329.444 1.321 20 0 EDADLP CC(C)OCC[NH+]1CCC(Nc2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000372112988 447009913 /nfs/dbraw/zinc/00/99/13/447009913.db2.gz GXVCUTHHPYDVBB-UHFFFAOYSA-N 2 2 329.448 2.569 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000375747718 447019388 /nfs/dbraw/zinc/01/93/88/447019388.db2.gz DUOXLVCACPMFPF-CRAIPNDOSA-N 2 2 346.475 1.535 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000375747718 447019390 /nfs/dbraw/zinc/01/93/90/447019390.db2.gz DUOXLVCACPMFPF-CRAIPNDOSA-N 2 2 346.475 1.535 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000377179280 446974935 /nfs/dbraw/zinc/97/49/35/446974935.db2.gz QSHOSGBETYAQSW-ROUUACIJSA-N 2 2 346.475 1.083 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000377179280 446974943 /nfs/dbraw/zinc/97/49/43/446974943.db2.gz QSHOSGBETYAQSW-ROUUACIJSA-N 2 2 346.475 1.083 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000377179280 446974949 /nfs/dbraw/zinc/97/49/49/446974949.db2.gz QSHOSGBETYAQSW-ROUUACIJSA-N 2 2 346.475 1.083 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000377179280 446974957 /nfs/dbraw/zinc/97/49/57/446974957.db2.gz QSHOSGBETYAQSW-ROUUACIJSA-N 2 2 346.475 1.083 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000372461427 447064737 /nfs/dbraw/zinc/06/47/37/447064737.db2.gz CGPAZRMGKLSONL-PMUMKWKESA-N 2 2 332.448 1.296 20 0 EDADLP CCOC1CC(CNc2cc(NC3CC3)[nH+]cn2)([NH+]2CCOCC2)C1 ZINC000413264036 447101936 /nfs/dbraw/zinc/10/19/36/447101936.db2.gz LZVWZFDRPOLZGB-UHFFFAOYSA-N 2 2 347.463 1.733 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377395813 447109009 /nfs/dbraw/zinc/10/90/09/447109009.db2.gz ASNKRBZQYYLUSM-GOSISDBHSA-N 2 2 333.476 1.534 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377395813 447109016 /nfs/dbraw/zinc/10/90/16/447109016.db2.gz ASNKRBZQYYLUSM-GOSISDBHSA-N 2 2 333.476 1.534 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H]3CCO)C2)CC1 ZINC000368734573 447075948 /nfs/dbraw/zinc/07/59/48/447075948.db2.gz YXZYNQAVTNNLEV-ZOBUZTSGSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H]3CCO)C2)CC1 ZINC000368734573 447075951 /nfs/dbraw/zinc/07/59/51/447075951.db2.gz YXZYNQAVTNNLEV-ZOBUZTSGSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000413221939 447078771 /nfs/dbraw/zinc/07/87/71/447078771.db2.gz BELHXHJSOXYTSO-OAHLLOKOSA-N 2 2 327.432 1.836 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000413221939 447078774 /nfs/dbraw/zinc/07/87/74/447078774.db2.gz BELHXHJSOXYTSO-OAHLLOKOSA-N 2 2 327.432 1.836 20 0 EDADLP Cn1ccc(N2CC[C@H]([NH2+]C3CC[NH+](Cc4ccccn4)CC3)C2)n1 ZINC000375848660 447096838 /nfs/dbraw/zinc/09/68/38/447096838.db2.gz LGLDYOYXCDEFJP-SFHVURJKSA-N 2 2 340.475 1.648 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368824245 447137351 /nfs/dbraw/zinc/13/73/51/447137351.db2.gz PCBGCAJICXLCLB-CQSZACIVSA-N 2 2 344.463 1.902 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)[C@@H](C)C1 ZINC000455485795 447142630 /nfs/dbraw/zinc/14/26/30/447142630.db2.gz ODKKDYGLAKLXIL-HZSPNIEDSA-N 2 2 349.435 1.168 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)[C@@H](C)C1 ZINC000455485795 447142636 /nfs/dbraw/zinc/14/26/36/447142636.db2.gz ODKKDYGLAKLXIL-HZSPNIEDSA-N 2 2 349.435 1.168 20 0 EDADLP C[NH2+][C@@H](C(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1)c1cnn(C)c1 ZINC000375958996 447174270 /nfs/dbraw/zinc/17/42/70/447174270.db2.gz RXRTURRAVZKXIG-QGZVFWFLSA-N 2 2 342.447 1.487 20 0 EDADLP c1cn([C@@H]2CCC[NH+](CCC[N@@H+]3CCC[C@@H](n4ccnn4)C3)C2)nn1 ZINC000425508875 447202992 /nfs/dbraw/zinc/20/29/92/447202992.db2.gz NWWNBYKLXWXNMP-IAGOWNOFSA-N 2 2 344.467 1.234 20 0 EDADLP c1cn([C@@H]2CCC[NH+](CCC[N@H+]3CCC[C@@H](n4ccnn4)C3)C2)nn1 ZINC000425508875 447202994 /nfs/dbraw/zinc/20/29/94/447202994.db2.gz NWWNBYKLXWXNMP-IAGOWNOFSA-N 2 2 344.467 1.234 20 0 EDADLP Cc1nc(Cl)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372726591 447249250 /nfs/dbraw/zinc/24/92/50/447249250.db2.gz KYXWMNWRKZQWRY-CYBMUJFWSA-N 2 2 336.867 1.942 20 0 EDADLP Cc1nc(Cl)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372726591 447249256 /nfs/dbraw/zinc/24/92/56/447249256.db2.gz KYXWMNWRKZQWRY-CYBMUJFWSA-N 2 2 336.867 1.942 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCc2ccccc21 ZINC000377608054 447241296 /nfs/dbraw/zinc/24/12/96/447241296.db2.gz MUTCBBFQJCKSAB-FQEVSTJZSA-N 2 2 345.487 1.305 20 0 EDADLP CN(C)c1cc(NC(=O)N(C)CC[NH+](C)C)[nH+]cc1Br ZINC000455867565 447245153 /nfs/dbraw/zinc/24/51/53/447245153.db2.gz PJHLBFIDONHXDZ-UHFFFAOYSA-N 2 2 344.257 1.935 20 0 EDADLP CCCCOC(=O)CC[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000369050298 447289748 /nfs/dbraw/zinc/28/97/48/447289748.db2.gz DZDHCVSQXZGMHO-IRXDYDNUSA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000369050298 447289752 /nfs/dbraw/zinc/28/97/52/447289752.db2.gz DZDHCVSQXZGMHO-IRXDYDNUSA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000369050298 447289756 /nfs/dbraw/zinc/28/97/56/447289756.db2.gz DZDHCVSQXZGMHO-IRXDYDNUSA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000369050298 447289760 /nfs/dbraw/zinc/28/97/60/447289760.db2.gz DZDHCVSQXZGMHO-IRXDYDNUSA-N 2 2 341.496 1.057 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421825859 447260714 /nfs/dbraw/zinc/26/07/14/447260714.db2.gz PQRHTDUVNJUKFR-HKUYNNGSSA-N 2 2 344.503 1.861 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421825859 447260717 /nfs/dbraw/zinc/26/07/17/447260717.db2.gz PQRHTDUVNJUKFR-HKUYNNGSSA-N 2 2 344.503 1.861 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000377645739 447269265 /nfs/dbraw/zinc/26/92/65/447269265.db2.gz GRIVZKDFKJYDAG-UHFFFAOYSA-N 2 2 341.459 1.951 20 0 EDADLP Cc1cc(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)cc(C)[nH+]1 ZINC000421919514 447278561 /nfs/dbraw/zinc/27/85/61/447278561.db2.gz MURAPUOCRBYXCH-UHFFFAOYSA-N 2 2 328.416 1.964 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CO)c2sccc2C)CC1 ZINC000494622355 447449459 /nfs/dbraw/zinc/44/94/59/447449459.db2.gz AXSXGIPTMDSMOX-UONOGXRCSA-N 2 2 325.478 1.232 20 0 EDADLP C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000377694139 447300385 /nfs/dbraw/zinc/30/03/85/447300385.db2.gz DGFVWEDHIKTZNU-IRXDYDNUSA-N 2 2 327.432 1.800 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC000494727872 447456882 /nfs/dbraw/zinc/45/68/82/447456882.db2.gz JQBJZIPVJJBINJ-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC000494727872 447456888 /nfs/dbraw/zinc/45/68/88/447456888.db2.gz JQBJZIPVJJBINJ-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389863652 447487411 /nfs/dbraw/zinc/48/74/11/447487411.db2.gz JJJRLTSKWZXANJ-NJAFHUGGSA-N 2 2 334.460 1.801 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389863652 447487416 /nfs/dbraw/zinc/48/74/16/447487416.db2.gz JJJRLTSKWZXANJ-NJAFHUGGSA-N 2 2 334.460 1.801 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000457115503 447522204 /nfs/dbraw/zinc/52/22/04/447522204.db2.gz IJRTUPWGJIMUCM-OAHLLOKOSA-N 2 2 328.416 1.070 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000457115503 447522208 /nfs/dbraw/zinc/52/22/08/447522208.db2.gz IJRTUPWGJIMUCM-OAHLLOKOSA-N 2 2 328.416 1.070 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000456875986 447472200 /nfs/dbraw/zinc/47/22/00/447472200.db2.gz FUXQEMVRYKESSC-UHFFFAOYSA-N 2 2 329.448 1.480 20 0 EDADLP C[C@H]1CN(Cc2cn(CC3CC3)nn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450653479 447550034 /nfs/dbraw/zinc/55/00/34/447550034.db2.gz PPJHEJZOTJMXPB-HNNXBMFYSA-N 2 2 332.496 1.288 20 0 EDADLP C[C@H]1CN(Cc2cn(CC3CC3)nn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450653479 447550040 /nfs/dbraw/zinc/55/00/40/447550040.db2.gz PPJHEJZOTJMXPB-HNNXBMFYSA-N 2 2 332.496 1.288 20 0 EDADLP CO[C@H]([C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000459195798 447610934 /nfs/dbraw/zinc/61/09/34/447610934.db2.gz OSBLPNZJRWOEOI-WMLDXEAASA-N 2 2 340.512 1.467 20 0 EDADLP CO[C@H]([C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000459195798 447610939 /nfs/dbraw/zinc/61/09/39/447610939.db2.gz OSBLPNZJRWOEOI-WMLDXEAASA-N 2 2 340.512 1.467 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416824698 447692609 /nfs/dbraw/zinc/69/26/09/447692609.db2.gz ZYERVWMHTWEGIJ-MSOLQXFVSA-N 2 2 346.475 1.329 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416824698 447692611 /nfs/dbraw/zinc/69/26/11/447692611.db2.gz ZYERVWMHTWEGIJ-MSOLQXFVSA-N 2 2 346.475 1.329 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000416879127 447699943 /nfs/dbraw/zinc/69/99/43/447699943.db2.gz CRVPCZOOJQUZKC-DOTOQJQBSA-N 2 2 334.464 1.262 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N(C)[C@H](C)C[NH3+])cc1 ZINC000416876557 447700758 /nfs/dbraw/zinc/70/07/58/447700758.db2.gz AASXEUZLNVMKDE-NVXWUHKLSA-N 2 2 334.464 1.357 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN(CCO)[C@@H](C)C2)CC1 ZINC000428456916 447701410 /nfs/dbraw/zinc/70/14/10/447701410.db2.gz IQTYCECCCRVUOC-SFHVURJKSA-N 2 2 346.519 1.327 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN(CCO)[C@@H](C)C2)CC1 ZINC000428456916 447701417 /nfs/dbraw/zinc/70/14/17/447701417.db2.gz IQTYCECCCRVUOC-SFHVURJKSA-N 2 2 346.519 1.327 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000428456013 447702328 /nfs/dbraw/zinc/70/23/28/447702328.db2.gz GSGPAOSZKJKCDS-HOCLYGCPSA-N 2 2 331.464 1.988 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000428456013 447702333 /nfs/dbraw/zinc/70/23/33/447702333.db2.gz GSGPAOSZKJKCDS-HOCLYGCPSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC000459570751 447709582 /nfs/dbraw/zinc/70/95/82/447709582.db2.gz NQRGGGGAGWKISQ-IEBWSBKVSA-N 2 2 347.503 1.848 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC000459570751 447709586 /nfs/dbraw/zinc/70/95/86/447709586.db2.gz NQRGGGGAGWKISQ-IEBWSBKVSA-N 2 2 347.503 1.848 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000408522358 447672287 /nfs/dbraw/zinc/67/22/87/447672287.db2.gz HYKXEFOINWSOEO-IRXDYDNUSA-N 2 2 343.427 1.852 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000408522358 447672289 /nfs/dbraw/zinc/67/22/89/447672289.db2.gz HYKXEFOINWSOEO-IRXDYDNUSA-N 2 2 343.427 1.852 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416914798 447707866 /nfs/dbraw/zinc/70/78/66/447707866.db2.gz LUFUJHGHDNLJJO-YOEHRIQHSA-N 2 2 327.432 1.858 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960871 447676458 /nfs/dbraw/zinc/67/64/58/447676458.db2.gz OTUAXKVVLKEDKN-INIZCTEOSA-N 2 2 335.448 1.506 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960871 447676463 /nfs/dbraw/zinc/67/64/63/447676463.db2.gz OTUAXKVVLKEDKN-INIZCTEOSA-N 2 2 335.448 1.506 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960871 447676470 /nfs/dbraw/zinc/67/64/70/447676470.db2.gz OTUAXKVVLKEDKN-INIZCTEOSA-N 2 2 335.448 1.506 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960871 447676475 /nfs/dbraw/zinc/67/64/75/447676475.db2.gz OTUAXKVVLKEDKN-INIZCTEOSA-N 2 2 335.448 1.506 20 0 EDADLP Cc1ccncc1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000451090973 447678869 /nfs/dbraw/zinc/67/88/69/447678869.db2.gz HWUPXILXIIWYIE-UHFFFAOYSA-N 2 2 340.493 1.037 20 0 EDADLP Cc1ccncc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000451090973 447678877 /nfs/dbraw/zinc/67/88/77/447678877.db2.gz HWUPXILXIIWYIE-UHFFFAOYSA-N 2 2 340.493 1.037 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000422633822 447680855 /nfs/dbraw/zinc/68/08/55/447680855.db2.gz IRGJHPKNYBKHGS-FMKPAKJESA-N 2 2 346.475 1.632 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000422633822 447680858 /nfs/dbraw/zinc/68/08/58/447680858.db2.gz IRGJHPKNYBKHGS-FMKPAKJESA-N 2 2 346.475 1.632 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000416920856 447710450 /nfs/dbraw/zinc/71/04/50/447710450.db2.gz UAYZBIPKJRWONO-LSDHHAIUSA-N 2 2 331.395 1.781 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843179 447766190 /nfs/dbraw/zinc/76/61/90/447766190.db2.gz HHNKKVKIEUZCHC-MOPGFXCFSA-N 3 2 331.508 1.843 20 0 EDADLP [NH3+]CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(F)F ZINC000416947323 447721413 /nfs/dbraw/zinc/72/14/13/447721413.db2.gz XWKWKWNSBDPEGQ-ZDUSSCGKSA-N 2 2 341.406 1.854 20 0 EDADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422720492 447727914 /nfs/dbraw/zinc/72/79/14/447727914.db2.gz SMCWTZBTSIGPNI-XPGWFJOJSA-N 2 2 329.488 1.790 20 0 EDADLP C[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422720492 447727917 /nfs/dbraw/zinc/72/79/17/447727917.db2.gz SMCWTZBTSIGPNI-XPGWFJOJSA-N 2 2 329.488 1.790 20 0 EDADLP C[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422720492 447727922 /nfs/dbraw/zinc/72/79/22/447727922.db2.gz SMCWTZBTSIGPNI-XPGWFJOJSA-N 2 2 329.488 1.790 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422835756 447764423 /nfs/dbraw/zinc/76/44/23/447764423.db2.gz QGDJPQZVIANMIL-SJLPKXTDSA-N 2 2 328.460 1.982 20 0 EDADLP C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000422804296 447754906 /nfs/dbraw/zinc/75/49/06/447754906.db2.gz HGTUEWBYABNZNN-CQSZACIVSA-N 2 2 347.459 1.130 20 0 EDADLP C[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000422804296 447754911 /nfs/dbraw/zinc/75/49/11/447754911.db2.gz HGTUEWBYABNZNN-CQSZACIVSA-N 2 2 347.459 1.130 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422843199 447766785 /nfs/dbraw/zinc/76/67/85/447766785.db2.gz HIWRRJAGYDIBEC-HKUYNNGSSA-N 4 2 331.508 1.701 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422937255 447776627 /nfs/dbraw/zinc/77/66/27/447776627.db2.gz JDJGTOONTYZVEG-IRXDYDNUSA-N 2 2 339.505 1.947 20 0 EDADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000422941044 447777121 /nfs/dbraw/zinc/77/71/21/447777121.db2.gz UPIMQNLNXADKMI-JKSUJKDBSA-N 2 2 337.489 1.831 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000430930417 447788331 /nfs/dbraw/zinc/78/83/31/447788331.db2.gz ANTDQZVRVKBHEL-AAEUAGOBSA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000430930417 447788335 /nfs/dbraw/zinc/78/83/35/447788335.db2.gz ANTDQZVRVKBHEL-AAEUAGOBSA-N 2 2 337.420 1.320 20 0 EDADLP COC[C@]1(CO)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451936017 447790868 /nfs/dbraw/zinc/79/08/68/447790868.db2.gz SJUZUMNZWMDYDU-VQTJNVASSA-N 2 2 348.487 1.608 20 0 EDADLP COC[C@]1(CO)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451936017 447790871 /nfs/dbraw/zinc/79/08/71/447790871.db2.gz SJUZUMNZWMDYDU-VQTJNVASSA-N 2 2 348.487 1.608 20 0 EDADLP COC[C@]1(CO)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936017 447790878 /nfs/dbraw/zinc/79/08/78/447790878.db2.gz SJUZUMNZWMDYDU-VQTJNVASSA-N 2 2 348.487 1.608 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423029087 447794029 /nfs/dbraw/zinc/79/40/29/447794029.db2.gz HPVBKYHKJWJYTG-VAMGGRTRSA-N 3 2 345.487 1.110 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423029087 447794031 /nfs/dbraw/zinc/79/40/31/447794031.db2.gz HPVBKYHKJWJYTG-VAMGGRTRSA-N 3 2 345.487 1.110 20 0 EDADLP CO[C@@H](C)[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000462519515 447799353 /nfs/dbraw/zinc/79/93/53/447799353.db2.gz WDKJXCGNLUGPPM-KFWWJZLASA-N 2 2 326.485 1.220 20 0 EDADLP CO[C@@H](C)[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000462519515 447799358 /nfs/dbraw/zinc/79/93/58/447799358.db2.gz WDKJXCGNLUGPPM-KFWWJZLASA-N 2 2 326.485 1.220 20 0 EDADLP CCS(=O)(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423095312 447803877 /nfs/dbraw/zinc/80/38/77/447803877.db2.gz DSIKRDHISBDWLZ-DLBZAZTESA-N 2 2 338.473 1.337 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000487940329 447838463 /nfs/dbraw/zinc/83/84/63/447838463.db2.gz GEFMLWFDQLZQLC-BZUAXINKSA-N 2 2 333.480 1.865 20 0 EDADLP C[C@H](CNc1nc(NC[C@H](C)C[NH+](C)C)c(Cl)c[nH+]1)C[NH+](C)C ZINC000489021191 447851376 /nfs/dbraw/zinc/85/13/76/447851376.db2.gz VBBWZZZNGGAYBA-QWHCGFSZSA-N 3 2 342.919 1.193 20 0 EDADLP CC(C)(C)OC(=O)NCC1(C[NH2+][C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000496568176 447822660 /nfs/dbraw/zinc/82/26/60/447822660.db2.gz HJQXZQFZJCZPMO-OAHLLOKOSA-N 2 2 341.496 1.728 20 0 EDADLP CC(C)(C)OC(=O)NCC1(C[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000496568176 447822662 /nfs/dbraw/zinc/82/26/62/447822662.db2.gz HJQXZQFZJCZPMO-OAHLLOKOSA-N 2 2 341.496 1.728 20 0 EDADLP CCOC(=O)N(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000496740329 447870280 /nfs/dbraw/zinc/87/02/80/447870280.db2.gz NLUIPVTZGYPXBO-HNNXBMFYSA-N 2 2 349.435 1.386 20 0 EDADLP CCOC(=O)N(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000496740329 447870284 /nfs/dbraw/zinc/87/02/84/447870284.db2.gz NLUIPVTZGYPXBO-HNNXBMFYSA-N 2 2 349.435 1.386 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496758549 447886803 /nfs/dbraw/zinc/88/68/03/447886803.db2.gz YBHALQDEUUKDRL-KKUMJFAQSA-N 2 2 329.485 1.534 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496758549 447886805 /nfs/dbraw/zinc/88/68/05/447886805.db2.gz YBHALQDEUUKDRL-KKUMJFAQSA-N 2 2 329.485 1.534 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496758549 447886807 /nfs/dbraw/zinc/88/68/07/447886807.db2.gz YBHALQDEUUKDRL-KKUMJFAQSA-N 2 2 329.485 1.534 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496758549 447886810 /nfs/dbraw/zinc/88/68/10/447886810.db2.gz YBHALQDEUUKDRL-KKUMJFAQSA-N 2 2 329.485 1.534 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000523441767 447887191 /nfs/dbraw/zinc/88/71/91/447887191.db2.gz NWIXWRWOHTUNMB-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000523441767 447887194 /nfs/dbraw/zinc/88/71/94/447887194.db2.gz NWIXWRWOHTUNMB-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000523441767 447887197 /nfs/dbraw/zinc/88/71/97/447887197.db2.gz NWIXWRWOHTUNMB-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000523441767 447887200 /nfs/dbraw/zinc/88/72/00/447887200.db2.gz NWIXWRWOHTUNMB-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[NH+]1CCC(C)CC1 ZINC000523509868 447890077 /nfs/dbraw/zinc/89/00/77/447890077.db2.gz SDWSFISNGYFEPY-AWEZNQCLSA-N 2 2 328.420 1.513 20 0 EDADLP C[C@@H]1C[C@H](O)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000530461026 447891842 /nfs/dbraw/zinc/89/18/42/447891842.db2.gz QNTOUBVGYFVGQS-CVEARBPZSA-N 2 2 338.496 1.101 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000569808681 447895561 /nfs/dbraw/zinc/89/55/61/447895561.db2.gz GAZQVLLTYNKNJG-CVEARBPZSA-N 2 2 339.480 1.285 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000569808681 447895566 /nfs/dbraw/zinc/89/55/66/447895566.db2.gz GAZQVLLTYNKNJG-CVEARBPZSA-N 2 2 339.480 1.285 20 0 EDADLP C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000530519446 447905003 /nfs/dbraw/zinc/90/50/03/447905003.db2.gz XRCCXZRSVWBVLL-WMLDXEAASA-N 2 2 349.500 1.629 20 0 EDADLP C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000530519446 447905007 /nfs/dbraw/zinc/90/50/07/447905007.db2.gz XRCCXZRSVWBVLL-WMLDXEAASA-N 2 2 349.500 1.629 20 0 EDADLP COc1ccc(COC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000575982721 447943052 /nfs/dbraw/zinc/94/30/52/447943052.db2.gz KNQUEUMQIVUYTN-LSDHHAIUSA-N 2 2 331.416 1.443 20 0 EDADLP COc1ccc(COC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000575982721 447943057 /nfs/dbraw/zinc/94/30/57/447943057.db2.gz KNQUEUMQIVUYTN-LSDHHAIUSA-N 2 2 331.416 1.443 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844476 447959146 /nfs/dbraw/zinc/95/91/46/447959146.db2.gz XXYOREBRHRBYEN-SJLPKXTDSA-N 2 2 331.460 1.344 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844476 447959149 /nfs/dbraw/zinc/95/91/49/447959149.db2.gz XXYOREBRHRBYEN-SJLPKXTDSA-N 2 2 331.460 1.344 20 0 EDADLP CN(CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC000497174418 447923757 /nfs/dbraw/zinc/92/37/57/447923757.db2.gz AQQRJZWECZACBS-INIZCTEOSA-N 2 2 341.496 1.898 20 0 EDADLP CN(CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(=O)OC(C)(C)C ZINC000497174418 447923762 /nfs/dbraw/zinc/92/37/62/447923762.db2.gz AQQRJZWECZACBS-INIZCTEOSA-N 2 2 341.496 1.898 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)CCN2C1=O ZINC000569940420 447924101 /nfs/dbraw/zinc/92/41/01/447924101.db2.gz ANMCLZXARGAAGC-HUUCEWRRSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)CCN2C1=O ZINC000569940420 447924103 /nfs/dbraw/zinc/92/41/03/447924103.db2.gz ANMCLZXARGAAGC-HUUCEWRRSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CCN2C1=O ZINC000575935039 447932312 /nfs/dbraw/zinc/93/23/12/447932312.db2.gz CPIXEPILPWYYLQ-LSDHHAIUSA-N 2 2 330.819 1.632 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CCN2C1=O ZINC000575935039 447932317 /nfs/dbraw/zinc/93/23/17/447932317.db2.gz CPIXEPILPWYYLQ-LSDHHAIUSA-N 2 2 330.819 1.632 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2c(n1)onc2C(C)C ZINC000576105669 447973682 /nfs/dbraw/zinc/97/36/82/447973682.db2.gz LQQZVSVSMMYHRI-GFCCVEGCSA-N 2 2 331.420 1.370 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000576526827 448075973 /nfs/dbraw/zinc/07/59/73/448075973.db2.gz JMNJLFWGKOAEHG-FZMZJTMJSA-N 2 2 325.840 1.776 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000576526827 448075977 /nfs/dbraw/zinc/07/59/77/448075977.db2.gz JMNJLFWGKOAEHG-FZMZJTMJSA-N 2 2 325.840 1.776 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000576566479 448083529 /nfs/dbraw/zinc/08/35/29/448083529.db2.gz RRPWOXDOCHSUKV-ZACQAIPSSA-N 2 2 337.489 1.493 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500411447 448088772 /nfs/dbraw/zinc/08/87/72/448088772.db2.gz SGTXMWCNKBNTSU-JTDSTZFVSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500411447 448088774 /nfs/dbraw/zinc/08/87/74/448088774.db2.gz SGTXMWCNKBNTSU-JTDSTZFVSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000500411447 448088780 /nfs/dbraw/zinc/08/87/80/448088780.db2.gz SGTXMWCNKBNTSU-JTDSTZFVSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000500411447 448088784 /nfs/dbraw/zinc/08/87/84/448088784.db2.gz SGTXMWCNKBNTSU-JTDSTZFVSA-N 2 2 349.523 1.896 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)c[nH+]1 ZINC000556431240 448118761 /nfs/dbraw/zinc/11/87/61/448118761.db2.gz WRTVAQYJEQNZOE-UHFFFAOYSA-N 2 2 328.420 1.680 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000571277423 448124364 /nfs/dbraw/zinc/12/43/64/448124364.db2.gz HLTQBUNYYCNEOU-VVLHAWIVSA-N 2 2 326.481 1.395 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000571277423 448124368 /nfs/dbraw/zinc/12/43/68/448124368.db2.gz HLTQBUNYYCNEOU-VVLHAWIVSA-N 2 2 326.481 1.395 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571618258 448178367 /nfs/dbraw/zinc/17/83/67/448178367.db2.gz XQVFWLCGSIAVEX-LUKYLMHMSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571618258 448178373 /nfs/dbraw/zinc/17/83/73/448178373.db2.gz XQVFWLCGSIAVEX-LUKYLMHMSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571618258 448178380 /nfs/dbraw/zinc/17/83/80/448178380.db2.gz XQVFWLCGSIAVEX-LUKYLMHMSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3cccnc3[nH]2)CC1 ZINC000514659892 448180709 /nfs/dbraw/zinc/18/07/09/448180709.db2.gz LHZJEUVNXZQTBB-UHFFFAOYSA-N 2 2 336.399 1.962 20 0 EDADLP COCC[NH2+]C1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000514730101 448194888 /nfs/dbraw/zinc/19/48/88/448194888.db2.gz OJFKKOAYGRIVKE-UHFFFAOYSA-N 2 2 345.443 1.373 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2n1C ZINC000527263226 448196778 /nfs/dbraw/zinc/19/67/78/448196778.db2.gz UMGNWXBEBKESDR-OAHLLOKOSA-N 2 2 342.443 1.676 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)ccc2n1C ZINC000571771339 448204382 /nfs/dbraw/zinc/20/43/82/448204382.db2.gz CAWHJTKRDHWTIY-SFHVURJKSA-N 2 2 341.415 1.032 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000532212499 448216862 /nfs/dbraw/zinc/21/68/62/448216862.db2.gz QGGZGANCTNBYGO-CQSZACIVSA-N 2 2 336.461 1.922 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000577369058 448278332 /nfs/dbraw/zinc/27/83/32/448278332.db2.gz UNKGSVLHPWCNDG-HNNXBMFYSA-N 2 2 334.464 1.559 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000562932692 448275153 /nfs/dbraw/zinc/27/51/53/448275153.db2.gz QSLYUNVHAJLQSL-CQSZACIVSA-N 2 2 329.448 1.955 20 0 EDADLP CC(C)n1c[nH+]cc1CNc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000577366589 448276484 /nfs/dbraw/zinc/27/64/84/448276484.db2.gz ZVRYFUQGNRUQFG-UHFFFAOYSA-N 2 2 342.447 1.281 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000591080472 448256798 /nfs/dbraw/zinc/25/67/98/448256798.db2.gz JNAPQRPDQNENNO-SFHVURJKSA-N 2 2 331.460 1.870 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000591080472 448256803 /nfs/dbraw/zinc/25/68/03/448256803.db2.gz JNAPQRPDQNENNO-SFHVURJKSA-N 2 2 331.460 1.870 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000577484682 448308575 /nfs/dbraw/zinc/30/85/75/448308575.db2.gz JCWPUCZDUPVUTK-INIZCTEOSA-N 2 2 334.464 1.301 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000577484682 448308576 /nfs/dbraw/zinc/30/85/76/448308576.db2.gz JCWPUCZDUPVUTK-INIZCTEOSA-N 2 2 334.464 1.301 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](CC2CC2)CC1 ZINC000582710741 448316490 /nfs/dbraw/zinc/31/64/90/448316490.db2.gz ZVBMPEBQYVOJOJ-CALCHBBNSA-N 2 2 336.480 1.023 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](CC2CC2)CC1 ZINC000582710741 448316497 /nfs/dbraw/zinc/31/64/97/448316497.db2.gz ZVBMPEBQYVOJOJ-CALCHBBNSA-N 2 2 336.480 1.023 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)[C@@H](C[NH3+])C1 ZINC000582713636 448317220 /nfs/dbraw/zinc/31/72/20/448317220.db2.gz CBEKBVDZUVQUKX-HNNXBMFYSA-N 2 2 331.420 1.142 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)[C@@H](C[NH3+])C1 ZINC000582713636 448317227 /nfs/dbraw/zinc/31/72/27/448317227.db2.gz CBEKBVDZUVQUKX-HNNXBMFYSA-N 2 2 331.420 1.142 20 0 EDADLP O=C(C[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1)N1CCCC1 ZINC000577521679 448321150 /nfs/dbraw/zinc/32/11/50/448321150.db2.gz MTXKQVRFSSTCFM-UHFFFAOYSA-N 2 2 342.487 1.072 20 0 EDADLP CC[NH+]1CCN(CC(=O)Nc2ccccc2-c2[nH]cc(C)[nH+]2)CC1 ZINC000532862482 448323758 /nfs/dbraw/zinc/32/37/58/448323758.db2.gz HAJGYXKJTXWFGV-UHFFFAOYSA-N 2 2 327.432 1.961 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577395179 448287067 /nfs/dbraw/zinc/28/70/67/448287067.db2.gz GUJHSMGCSKHCAR-IFXJQAMLSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577395179 448287074 /nfs/dbraw/zinc/28/70/74/448287074.db2.gz GUJHSMGCSKHCAR-IFXJQAMLSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000572114205 448289657 /nfs/dbraw/zinc/28/96/57/448289657.db2.gz HTDJQMDXMFBNKV-FGTMMUONSA-N 3 2 327.513 1.312 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000572114205 448289661 /nfs/dbraw/zinc/28/96/61/448289661.db2.gz HTDJQMDXMFBNKV-FGTMMUONSA-N 3 2 327.513 1.312 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3sccc3Br)CCN2C1=O ZINC000515339846 448292402 /nfs/dbraw/zinc/29/24/02/448292402.db2.gz XSSZYEZWRPXSKH-WCBMZHEXSA-N 2 2 330.251 1.254 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3sccc3Br)CCN2C1=O ZINC000515339846 448292411 /nfs/dbraw/zinc/29/24/11/448292411.db2.gz XSSZYEZWRPXSKH-WCBMZHEXSA-N 2 2 330.251 1.254 20 0 EDADLP C[NH+](C)[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000582661074 448303277 /nfs/dbraw/zinc/30/32/77/448303277.db2.gz XKJZVFQQMSMQPV-IRXDYDNUSA-N 2 2 341.883 1.225 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000591275575 448304222 /nfs/dbraw/zinc/30/42/22/448304222.db2.gz FLVFASWJRPAQMN-GDBMZVCRSA-N 2 2 339.480 1.298 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000572348737 448353321 /nfs/dbraw/zinc/35/33/21/448353321.db2.gz AQWYBBJAOWNVAZ-BWACUDIHSA-N 2 2 339.867 1.941 20 0 EDADLP CCCOc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000493061467 448357557 /nfs/dbraw/zinc/35/75/57/448357557.db2.gz ZFPJLFLMNKNXPV-IOBAAEILSA-N 2 2 347.459 1.599 20 0 EDADLP CCCOc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000493061467 448357560 /nfs/dbraw/zinc/35/75/60/448357560.db2.gz ZFPJLFLMNKNXPV-IOBAAEILSA-N 2 2 347.459 1.599 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000582900956 448372712 /nfs/dbraw/zinc/37/27/12/448372712.db2.gz WLRMDLJPBIGYIB-MSOLQXFVSA-N 2 2 343.471 1.415 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000582900956 448372718 /nfs/dbraw/zinc/37/27/18/448372718.db2.gz WLRMDLJPBIGYIB-MSOLQXFVSA-N 2 2 343.471 1.415 20 0 EDADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cc(F)ccc1F ZINC000572262322 448331075 /nfs/dbraw/zinc/33/10/75/448331075.db2.gz KUTOKALRTMTZFL-DOMZBBRYSA-N 2 2 326.391 1.700 20 0 EDADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cc(F)ccc1F ZINC000572262322 448331079 /nfs/dbraw/zinc/33/10/79/448331079.db2.gz KUTOKALRTMTZFL-DOMZBBRYSA-N 2 2 326.391 1.700 20 0 EDADLP C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000582774536 448334644 /nfs/dbraw/zinc/33/46/44/448334644.db2.gz DPWKEFYVNKKWRT-MXSMSXNCSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000515644784 448337454 /nfs/dbraw/zinc/33/74/54/448337454.db2.gz JYVJCEBNMCDJLB-KGLIPLIRSA-N 2 2 348.495 1.866 20 0 EDADLP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000533293966 448383904 /nfs/dbraw/zinc/38/39/04/448383904.db2.gz BVDOBIDHSPGSRK-MRXNPFEDSA-N 2 2 344.459 1.786 20 0 EDADLP O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000533293966 448383907 /nfs/dbraw/zinc/38/39/07/448383907.db2.gz BVDOBIDHSPGSRK-MRXNPFEDSA-N 2 2 344.459 1.786 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000582969687 448392340 /nfs/dbraw/zinc/39/23/40/448392340.db2.gz HSOSWBCMIISUGW-INIZCTEOSA-N 2 2 328.478 1.828 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000582969687 448392345 /nfs/dbraw/zinc/39/23/45/448392345.db2.gz HSOSWBCMIISUGW-INIZCTEOSA-N 2 2 328.478 1.828 20 0 EDADLP C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591632647 448419651 /nfs/dbraw/zinc/41/96/51/448419651.db2.gz KYQTWMCSUAAXTB-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591632647 448419657 /nfs/dbraw/zinc/41/96/57/448419657.db2.gz KYQTWMCSUAAXTB-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493159763 448375500 /nfs/dbraw/zinc/37/55/00/448375500.db2.gz GWQUPMGNCMOQRQ-NFAHFFEMSA-N 2 2 340.431 1.145 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1COc1cccnc1C ZINC000582913964 448378935 /nfs/dbraw/zinc/37/89/35/448378935.db2.gz ZTEHIVZZFZLVLD-SJORKVTESA-N 2 2 337.464 1.172 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1COc1cccnc1C ZINC000582913964 448378938 /nfs/dbraw/zinc/37/89/38/448378938.db2.gz ZTEHIVZZFZLVLD-SJORKVTESA-N 2 2 337.464 1.172 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1COc1cccnc1C ZINC000582913964 448378945 /nfs/dbraw/zinc/37/89/45/448378945.db2.gz ZTEHIVZZFZLVLD-SJORKVTESA-N 2 2 337.464 1.172 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1COc1cccnc1C ZINC000582913964 448378950 /nfs/dbraw/zinc/37/89/50/448378950.db2.gz ZTEHIVZZFZLVLD-SJORKVTESA-N 2 2 337.464 1.172 20 0 EDADLP Cn1nc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000591718851 448469943 /nfs/dbraw/zinc/46/99/43/448469943.db2.gz GWWPAHNOGDKGEU-AWEZNQCLSA-N 2 2 329.448 1.250 20 0 EDADLP Cn1nc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000591718851 448469945 /nfs/dbraw/zinc/46/99/45/448469945.db2.gz GWWPAHNOGDKGEU-AWEZNQCLSA-N 2 2 329.448 1.250 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000577960948 448427258 /nfs/dbraw/zinc/42/72/58/448427258.db2.gz DSMVECYPYYFDJU-UHFFFAOYSA-N 2 2 344.459 1.703 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)C2 ZINC000516567157 448439236 /nfs/dbraw/zinc/43/92/36/448439236.db2.gz UNPRQPABKCNUBA-AWEZNQCLSA-N 2 2 347.507 1.295 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cc(=O)[nH]c3ccccc23)C[C@@H](C)O1 ZINC000572751378 448456942 /nfs/dbraw/zinc/45/69/42/448456942.db2.gz GLPWRHQPKKESBK-FMKPAKJESA-N 2 2 345.443 1.500 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)CC2 ZINC000516655710 448459016 /nfs/dbraw/zinc/45/90/16/448459016.db2.gz JGVPNQQMJLFWGX-RDJZCZTQSA-N 2 2 332.448 1.077 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3C4CC5CC(C4)CC3C5)C2)C1 ZINC000572937997 448498505 /nfs/dbraw/zinc/49/85/05/448498505.db2.gz SZHGSYXSPIOIQI-AVHGTGSPSA-N 2 2 331.504 1.955 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3C4CC5CC(C4)CC3C5)C2)C1 ZINC000572937997 448498510 /nfs/dbraw/zinc/49/85/10/448498510.db2.gz SZHGSYXSPIOIQI-AVHGTGSPSA-N 2 2 331.504 1.955 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C2)C1 ZINC000572937997 448498512 /nfs/dbraw/zinc/49/85/12/448498512.db2.gz SZHGSYXSPIOIQI-AVHGTGSPSA-N 2 2 331.504 1.955 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC3C4CC5CC(C4)CC3C5)C2)C1 ZINC000572937997 448498518 /nfs/dbraw/zinc/49/85/18/448498518.db2.gz SZHGSYXSPIOIQI-AVHGTGSPSA-N 2 2 331.504 1.955 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(N(C)C)n3C)C2)CC1 ZINC000591834116 448501824 /nfs/dbraw/zinc/50/18/24/448501824.db2.gz BHBPKKBZYXQLLS-MRXNPFEDSA-N 2 2 334.512 1.086 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CCC(=O)OC)CC2)CC1 ZINC000517274332 448568493 /nfs/dbraw/zinc/56/84/93/448568493.db2.gz PRPBSDXTUDHOOF-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N(C)CCC[NH3+])[NH+]2CCOCC2)cc1 ZINC000517337632 448573034 /nfs/dbraw/zinc/57/30/34/448573034.db2.gz MLAVYLLINPYGGL-QGZVFWFLSA-N 2 2 334.464 1.359 20 0 EDADLP CCCCOc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000573222762 448575798 /nfs/dbraw/zinc/57/57/98/448575798.db2.gz CDDLCARREVGNLJ-QGZVFWFLSA-N 2 2 348.491 1.692 20 0 EDADLP CCCCOc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000573222762 448575802 /nfs/dbraw/zinc/57/58/02/448575802.db2.gz CDDLCARREVGNLJ-QGZVFWFLSA-N 2 2 348.491 1.692 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000566733710 448547049 /nfs/dbraw/zinc/54/70/49/448547049.db2.gz HCZQLEVQISAXJH-FUHIMQAGSA-N 3 2 349.519 1.350 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000567096996 448612534 /nfs/dbraw/zinc/61/25/34/448612534.db2.gz JLFOBOJHSAKPFP-SJORKVTESA-N 2 2 346.475 1.533 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000573403827 448616481 /nfs/dbraw/zinc/61/64/81/448616481.db2.gz KDNZWWYXUQBDND-INIZCTEOSA-N 2 2 346.475 1.518 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000573403827 448616487 /nfs/dbraw/zinc/61/64/87/448616487.db2.gz KDNZWWYXUQBDND-INIZCTEOSA-N 2 2 346.475 1.518 20 0 EDADLP C[C@H]1C[NH+](CCCCNC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H](C)O1 ZINC000539785049 448619453 /nfs/dbraw/zinc/61/94/53/448619453.db2.gz SAVAINZBMWPLNM-HOTGVXAUSA-N 2 2 348.491 1.768 20 0 EDADLP CCn1nnc(C)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000573293034 448587430 /nfs/dbraw/zinc/58/74/30/448587430.db2.gz FCQRVJAEXURNHK-UHFFFAOYSA-N 2 2 348.495 1.287 20 0 EDADLP CO[C@H](C[NH3+])C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000573493252 448641912 /nfs/dbraw/zinc/64/19/12/448641912.db2.gz GXWILMJEOYAOKK-QGZVFWFLSA-N 2 2 340.427 1.234 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276672 448656495 /nfs/dbraw/zinc/65/64/95/448656495.db2.gz QYMPAXNABPGERY-LSDHHAIUSA-N 2 2 349.479 1.478 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276672 448656496 /nfs/dbraw/zinc/65/64/96/448656496.db2.gz QYMPAXNABPGERY-LSDHHAIUSA-N 2 2 349.479 1.478 20 0 EDADLP CCN1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000578898711 448666005 /nfs/dbraw/zinc/66/60/05/448666005.db2.gz DZSUTMHCKWYGIT-GDBMZVCRSA-N 2 2 342.447 1.382 20 0 EDADLP CCc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)nc(C)[nH+]1 ZINC000541091259 448667533 /nfs/dbraw/zinc/66/75/33/448667533.db2.gz WOGFTDZUUKMGPG-UHFFFAOYSA-N 2 2 326.448 2.106 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000518356958 448668349 /nfs/dbraw/zinc/66/83/49/448668349.db2.gz GAOARRVSCUTLBC-KRWDZBQOSA-N 2 2 331.460 1.681 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000518356958 448668352 /nfs/dbraw/zinc/66/83/52/448668352.db2.gz GAOARRVSCUTLBC-KRWDZBQOSA-N 2 2 331.460 1.681 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000518393317 448672558 /nfs/dbraw/zinc/67/25/58/448672558.db2.gz CQCHOGIXLKLKSW-MSOLQXFVSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000518393317 448672566 /nfs/dbraw/zinc/67/25/66/448672566.db2.gz CQCHOGIXLKLKSW-MSOLQXFVSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000518393317 448672572 /nfs/dbraw/zinc/67/25/72/448672572.db2.gz CQCHOGIXLKLKSW-MSOLQXFVSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000518393317 448672574 /nfs/dbraw/zinc/67/25/74/448672574.db2.gz CQCHOGIXLKLKSW-MSOLQXFVSA-N 2 2 336.476 1.641 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C3(C)CC3)CC2)CC1 ZINC000584777277 448627948 /nfs/dbraw/zinc/62/79/48/448627948.db2.gz RHGOOMDZTYBOCU-UHFFFAOYSA-N 2 2 329.510 1.361 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C3(C)CC3)CC2)CC1 ZINC000584777277 448627953 /nfs/dbraw/zinc/62/79/53/448627953.db2.gz RHGOOMDZTYBOCU-UHFFFAOYSA-N 2 2 329.510 1.361 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000528683575 448628774 /nfs/dbraw/zinc/62/87/74/448628774.db2.gz YADDSEIVTMBESD-AWEZNQCLSA-N 2 2 328.372 1.984 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C[C@H](C)O1 ZINC000518758314 448706717 /nfs/dbraw/zinc/70/67/17/448706717.db2.gz ZCADOTQGNDWUOZ-HLNWXESRSA-N 2 2 347.503 1.573 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C[C@H](C)O1 ZINC000518758314 448706719 /nfs/dbraw/zinc/70/67/19/448706719.db2.gz ZCADOTQGNDWUOZ-HLNWXESRSA-N 2 2 347.503 1.573 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592098628 448682657 /nfs/dbraw/zinc/68/26/57/448682657.db2.gz YDFVJGXMQHZGLC-INIZCTEOSA-N 2 2 328.416 1.713 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592098628 448682663 /nfs/dbraw/zinc/68/26/63/448682663.db2.gz YDFVJGXMQHZGLC-INIZCTEOSA-N 2 2 328.416 1.713 20 0 EDADLP Cc1cc(Br)ccc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567611108 448724117 /nfs/dbraw/zinc/72/41/17/448724117.db2.gz JKJNLNMNRKDAGN-CQSZACIVSA-N 2 2 340.265 1.401 20 0 EDADLP Cc1cc(Br)ccc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567611108 448724121 /nfs/dbraw/zinc/72/41/21/448724121.db2.gz JKJNLNMNRKDAGN-CQSZACIVSA-N 2 2 340.265 1.401 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@@H](O)CC2CCCC2)C1=O ZINC000518966678 448726407 /nfs/dbraw/zinc/72/64/07/448726407.db2.gz WABHEJNZDDZGSR-JKSUJKDBSA-N 2 2 334.464 1.442 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000567624559 448726650 /nfs/dbraw/zinc/72/66/50/448726650.db2.gz SGNDSDQDAHXUEV-GJZGRUSLSA-N 2 2 340.489 1.724 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000567624559 448726652 /nfs/dbraw/zinc/72/66/52/448726652.db2.gz SGNDSDQDAHXUEV-GJZGRUSLSA-N 2 2 340.489 1.724 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000567624559 448726657 /nfs/dbraw/zinc/72/66/57/448726657.db2.gz SGNDSDQDAHXUEV-GJZGRUSLSA-N 2 2 340.489 1.724 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000567624559 448726660 /nfs/dbraw/zinc/72/66/60/448726660.db2.gz SGNDSDQDAHXUEV-GJZGRUSLSA-N 2 2 340.489 1.724 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000519175664 448750675 /nfs/dbraw/zinc/75/06/75/448750675.db2.gz YWFHFLUFHWZMMJ-YESZJQIVSA-N 2 2 326.481 1.743 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000519175664 448750679 /nfs/dbraw/zinc/75/06/79/448750679.db2.gz YWFHFLUFHWZMMJ-YESZJQIVSA-N 2 2 326.481 1.743 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000519175664 448750684 /nfs/dbraw/zinc/75/06/84/448750684.db2.gz YWFHFLUFHWZMMJ-YESZJQIVSA-N 2 2 326.481 1.743 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000519175664 448750686 /nfs/dbraw/zinc/75/06/86/448750686.db2.gz YWFHFLUFHWZMMJ-YESZJQIVSA-N 2 2 326.481 1.743 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000568051017 448807515 /nfs/dbraw/zinc/80/75/15/448807515.db2.gz RVZVFMFRVRPHLK-OAHLLOKOSA-N 2 2 332.347 1.419 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000568051017 448807519 /nfs/dbraw/zinc/80/75/19/448807519.db2.gz RVZVFMFRVRPHLK-OAHLLOKOSA-N 2 2 332.347 1.419 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000519643804 448809596 /nfs/dbraw/zinc/80/95/96/448809596.db2.gz KJSKGZZIFONRMS-IHRRRGAJSA-N 2 2 335.452 1.232 20 0 EDADLP C[C@H]1C[C@@H]1c1nnc2ccc(NCC[NH+]3CCC([NH+](C)C)CC3)nn21 ZINC000579435464 448790563 /nfs/dbraw/zinc/79/05/63/448790563.db2.gz VHNDUGALWQOIIC-ZFWWWQNUSA-N 2 2 343.479 1.686 20 0 EDADLP CC(C)(C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1c[nH+]c[nH]1 ZINC000579442050 448792027 /nfs/dbraw/zinc/79/20/27/448792027.db2.gz WMQRNDJCBRJAJP-UHFFFAOYSA-N 2 2 334.464 1.648 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccn(-c3ccccc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000579687862 448853244 /nfs/dbraw/zinc/85/32/44/448853244.db2.gz VBCINHOSXUESBH-LBPRGKRZSA-N 2 2 348.838 1.632 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccn(-c3ccccc3Cl)n2)[C@@H](C[NH3+])C1 ZINC000579687862 448853247 /nfs/dbraw/zinc/85/32/47/448853247.db2.gz VBCINHOSXUESBH-LBPRGKRZSA-N 2 2 348.838 1.632 20 0 EDADLP C[C@@]1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[NH2+]C1 ZINC000520201088 448869854 /nfs/dbraw/zinc/86/98/54/448869854.db2.gz WHGQMHVCHNEIPJ-QGZVFWFLSA-N 2 2 328.420 1.838 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000592489115 448859522 /nfs/dbraw/zinc/85/95/22/448859522.db2.gz QUTRRWYZAADKDR-BBRMVZONSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000592489115 448859527 /nfs/dbraw/zinc/85/95/27/448859527.db2.gz QUTRRWYZAADKDR-BBRMVZONSA-N 2 2 333.432 1.861 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@@H]1OCCc2sccc21 ZINC000574385189 448861024 /nfs/dbraw/zinc/86/10/24/448861024.db2.gz QWHDRVGEDQZXKS-ZOWXZIJZSA-N 2 2 338.477 1.035 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@@H]1OCCc2sccc21 ZINC000574385189 448861030 /nfs/dbraw/zinc/86/10/30/448861030.db2.gz QWHDRVGEDQZXKS-ZOWXZIJZSA-N 2 2 338.477 1.035 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000520834427 448936093 /nfs/dbraw/zinc/93/60/93/448936093.db2.gz BPBZXDUQFQDZHT-INIZCTEOSA-N 2 2 331.460 1.680 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccc(OC(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000520771031 448928310 /nfs/dbraw/zinc/92/83/10/448928310.db2.gz JXOQJOIRZUNGSK-AWEZNQCLSA-N 2 2 335.452 1.043 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(OC(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000520771031 448928312 /nfs/dbraw/zinc/92/83/12/448928312.db2.gz JXOQJOIRZUNGSK-AWEZNQCLSA-N 2 2 335.452 1.043 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)CC2 ZINC000520821022 448934061 /nfs/dbraw/zinc/93/40/61/448934061.db2.gz LQQTVBKVHJNZEK-AEFFLSMTSA-N 2 2 348.491 1.617 20 0 EDADLP O=C(CC[NH2+]CCn1cc[nH+]c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000589254033 448996520 /nfs/dbraw/zinc/99/65/20/448996520.db2.gz ZFDGAJRGNDRVFH-UHFFFAOYSA-N 2 2 341.415 1.628 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000522399072 449079276 /nfs/dbraw/zinc/07/92/76/449079276.db2.gz BEROGONEGPRWCN-MRXNPFEDSA-N 2 2 329.404 1.002 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000522399072 449079281 /nfs/dbraw/zinc/07/92/81/449079281.db2.gz BEROGONEGPRWCN-MRXNPFEDSA-N 2 2 329.404 1.002 20 0 EDADLP CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522080575 449049125 /nfs/dbraw/zinc/04/91/25/449049125.db2.gz QIOWOHKMPKJRBH-QGZVFWFLSA-N 2 2 343.475 1.929 20 0 EDADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N1Cc2ccccc2C1 ZINC000569579886 449050018 /nfs/dbraw/zinc/05/00/18/449050018.db2.gz GYKHFMKLDRTTEL-ZDUSSCGKSA-N 2 2 327.432 1.507 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([S@@](C)=O)cc1 ZINC000597989918 449175352 /nfs/dbraw/zinc/17/53/52/449175352.db2.gz NLKCMXQQGXJCJY-JOCHJYFZSA-N 2 2 325.478 1.037 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([S@@](C)=O)cc1 ZINC000597989918 449175355 /nfs/dbraw/zinc/17/53/55/449175355.db2.gz NLKCMXQQGXJCJY-JOCHJYFZSA-N 2 2 325.478 1.037 20 0 EDADLP C[C@@H](c1ccccn1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207685 449191300 /nfs/dbraw/zinc/19/13/00/449191300.db2.gz ADBQOKCLHTXCEE-HOTGVXAUSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](c1ccccn1)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207685 449191307 /nfs/dbraw/zinc/19/13/07/449191307.db2.gz ADBQOKCLHTXCEE-HOTGVXAUSA-N 2 2 345.491 1.953 20 0 EDADLP c1ccc2c(c1)n[nH]c2C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604418390 449228225 /nfs/dbraw/zinc/22/82/25/449228225.db2.gz WHGSVUUXPNMVEC-OAHLLOKOSA-N 2 2 329.448 1.059 20 0 EDADLP C[S@@](=O)C1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000601968198 449250202 /nfs/dbraw/zinc/25/02/02/449250202.db2.gz YKYBHGIDWKEGGT-GAJHUEQPSA-N 2 2 336.501 1.514 20 0 EDADLP C[S@@](=O)C1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000601968198 449250206 /nfs/dbraw/zinc/25/02/06/449250206.db2.gz YKYBHGIDWKEGGT-GAJHUEQPSA-N 2 2 336.501 1.514 20 0 EDADLP CCOC(=O)C1([S@](C)=O)CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000594001985 449318981 /nfs/dbraw/zinc/31/89/81/449318981.db2.gz OIBXDMGHPXKYEG-QHCPKHFHSA-N 2 2 341.477 1.129 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C[C@@H]1C ZINC000602132319 449370257 /nfs/dbraw/zinc/37/02/57/449370257.db2.gz XVAXZFIHULEYAW-GOEBONIOSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C[C@@H]1C ZINC000602132319 449370261 /nfs/dbraw/zinc/37/02/61/449370261.db2.gz XVAXZFIHULEYAW-GOEBONIOSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)C[C@@H]1C ZINC000602132319 449370265 /nfs/dbraw/zinc/37/02/65/449370265.db2.gz XVAXZFIHULEYAW-GOEBONIOSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)C[C@@H]1C ZINC000602132319 449370269 /nfs/dbraw/zinc/37/02/69/449370269.db2.gz XVAXZFIHULEYAW-GOEBONIOSA-N 2 2 337.464 1.099 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C(C)(C)CO)CC1 ZINC000605900314 449423075 /nfs/dbraw/zinc/42/30/75/449423075.db2.gz ADQMHUFXPZVTRK-INIZCTEOSA-N 2 2 333.476 1.595 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)(C)CO)CC1 ZINC000605900314 449423079 /nfs/dbraw/zinc/42/30/79/449423079.db2.gz ADQMHUFXPZVTRK-INIZCTEOSA-N 2 2 333.476 1.595 20 0 EDADLP COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000602283952 449490457 /nfs/dbraw/zinc/49/04/57/449490457.db2.gz YAZSHTDEIDKDQU-CQSZACIVSA-N 2 2 333.436 1.380 20 0 EDADLP COc1ccc(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000602283952 449490462 /nfs/dbraw/zinc/49/04/62/449490462.db2.gz YAZSHTDEIDKDQU-CQSZACIVSA-N 2 2 333.436 1.380 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000606660606 449500283 /nfs/dbraw/zinc/50/02/83/449500283.db2.gz VGJRUAIMEYYLSA-GOSISDBHSA-N 2 2 330.476 1.984 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000606660606 449500287 /nfs/dbraw/zinc/50/02/87/449500287.db2.gz VGJRUAIMEYYLSA-GOSISDBHSA-N 2 2 330.476 1.984 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc(C)[nH+]1 ZINC000611989227 449509210 /nfs/dbraw/zinc/50/92/10/449509210.db2.gz SUUXVCHUVGFGGD-HNNXBMFYSA-N 2 2 332.448 1.304 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc(C)[nH+]1 ZINC000611989227 449509217 /nfs/dbraw/zinc/50/92/17/449509217.db2.gz SUUXVCHUVGFGGD-HNNXBMFYSA-N 2 2 332.448 1.304 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC[NH+](C)CC1 ZINC000606701646 449511358 /nfs/dbraw/zinc/51/13/58/449511358.db2.gz HFXRHGWUPJLRPU-OAHLLOKOSA-N 2 2 334.464 1.837 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c1 ZINC000607145161 449578350 /nfs/dbraw/zinc/57/83/50/449578350.db2.gz ZGIBNJBOKFEQFW-UHFFFAOYSA-N 2 2 337.387 1.393 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000594587185 449585618 /nfs/dbraw/zinc/58/56/18/449585618.db2.gz QKCVCJDNSFIZPF-ULQDDVLXSA-N 3 2 337.508 1.914 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000594587185 449585620 /nfs/dbraw/zinc/58/56/20/449585620.db2.gz QKCVCJDNSFIZPF-ULQDDVLXSA-N 3 2 337.508 1.914 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614447809 449615421 /nfs/dbraw/zinc/61/54/21/449615421.db2.gz MGKSQETWIWEEPE-HZPDHXFCSA-N 2 2 332.448 1.159 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000607904009 449662720 /nfs/dbraw/zinc/66/27/20/449662720.db2.gz DZKSAMWCSLDMIT-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000607904009 449662724 /nfs/dbraw/zinc/66/27/24/449662724.db2.gz DZKSAMWCSLDMIT-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)no2)[C@H](C)C1 ZINC000602544573 449665604 /nfs/dbraw/zinc/66/56/04/449665604.db2.gz HKFVKIFXIVZMHU-HIFRSBDPSA-N 2 2 339.436 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)no2)[C@H](C)C1 ZINC000602544573 449665606 /nfs/dbraw/zinc/66/56/06/449665606.db2.gz HKFVKIFXIVZMHU-HIFRSBDPSA-N 2 2 339.436 1.688 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CCSC1 ZINC000617484879 449631923 /nfs/dbraw/zinc/63/19/23/449631923.db2.gz PGSWRVVGFRSCMF-OAHLLOKOSA-N 2 2 334.489 1.735 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CCSC1 ZINC000617484879 449631930 /nfs/dbraw/zinc/63/19/30/449631930.db2.gz PGSWRVVGFRSCMF-OAHLLOKOSA-N 2 2 334.489 1.735 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000599009177 449696393 /nfs/dbraw/zinc/69/63/93/449696393.db2.gz UAQAHNNOZVMEIT-NVXWUHKLSA-N 2 2 347.459 1.308 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000599009177 449696396 /nfs/dbraw/zinc/69/63/96/449696396.db2.gz UAQAHNNOZVMEIT-NVXWUHKLSA-N 2 2 347.459 1.308 20 0 EDADLP COC(=O)c1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)s1 ZINC000602603843 449699609 /nfs/dbraw/zinc/69/96/09/449699609.db2.gz SDUREOHBXYHHJZ-UHFFFAOYSA-N 2 2 346.412 1.592 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)c3[nH+]ccn3C)C2)CC1 ZINC000596931379 449723256 /nfs/dbraw/zinc/72/32/56/449723256.db2.gz LTYIVHRMYNGDLA-HZPDHXFCSA-N 2 2 348.495 1.291 20 0 EDADLP CCOC(=O)[C@@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC000602742757 449777425 /nfs/dbraw/zinc/77/74/25/449777425.db2.gz CKYMUNMWRRWLSH-LJQANCHMSA-N 2 2 347.459 2.000 20 0 EDADLP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000602747364 449781903 /nfs/dbraw/zinc/78/19/03/449781903.db2.gz DBHOZZBAUDYAIK-INIZCTEOSA-N 2 2 345.443 1.062 20 0 EDADLP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000602747364 449781908 /nfs/dbraw/zinc/78/19/08/449781908.db2.gz DBHOZZBAUDYAIK-INIZCTEOSA-N 2 2 345.443 1.062 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614664384 449749505 /nfs/dbraw/zinc/74/95/05/449749505.db2.gz UBCPPLCULHLQFA-KFWWJZLASA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614664384 449749507 /nfs/dbraw/zinc/74/95/07/449749507.db2.gz UBCPPLCULHLQFA-KFWWJZLASA-N 2 2 335.452 1.271 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)cc(F)c1N ZINC000617764015 449823967 /nfs/dbraw/zinc/82/39/67/449823967.db2.gz FUIOSGIFVVZWSW-UHFFFAOYSA-N 2 2 330.835 1.675 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)cc(F)c1N ZINC000617764015 449823975 /nfs/dbraw/zinc/82/39/75/449823975.db2.gz FUIOSGIFVVZWSW-UHFFFAOYSA-N 2 2 330.835 1.675 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccn(Cc2ccccc2)n1 ZINC000617764927 449827279 /nfs/dbraw/zinc/82/72/79/449827279.db2.gz MJMNERVLRAHCOB-UHFFFAOYSA-N 2 2 343.475 1.545 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccn(Cc2ccccc2)n1 ZINC000617764927 449827284 /nfs/dbraw/zinc/82/72/84/449827284.db2.gz MJMNERVLRAHCOB-UHFFFAOYSA-N 2 2 343.475 1.545 20 0 EDADLP CC(=O)[C@@H]1C[C@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000617765101 449827466 /nfs/dbraw/zinc/82/74/66/449827466.db2.gz TYBFXFIROKGMTJ-CVEARBPZSA-N 2 2 325.497 1.628 20 0 EDADLP CC(=O)[C@@H]1C[C@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000617765101 449827472 /nfs/dbraw/zinc/82/74/72/449827472.db2.gz TYBFXFIROKGMTJ-CVEARBPZSA-N 2 2 325.497 1.628 20 0 EDADLP Cc1[nH]nc(C(F)(F)F)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766589 449829887 /nfs/dbraw/zinc/82/98/87/449829887.db2.gz QCLJVHGTAWGFEW-UHFFFAOYSA-N 2 2 335.374 1.350 20 0 EDADLP Cc1[nH]nc(C(F)(F)F)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766589 449829895 /nfs/dbraw/zinc/82/98/95/449829895.db2.gz QCLJVHGTAWGFEW-UHFFFAOYSA-N 2 2 335.374 1.350 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]nc1-c1ccccc1 ZINC000617768205 449833314 /nfs/dbraw/zinc/83/33/14/449833314.db2.gz UGRPRYOKCUIELM-UHFFFAOYSA-N 2 2 329.448 1.690 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]nc1-c1ccccc1 ZINC000617768205 449833317 /nfs/dbraw/zinc/83/33/17/449833317.db2.gz UGRPRYOKCUIELM-UHFFFAOYSA-N 2 2 329.448 1.690 20 0 EDADLP C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602767601 449792091 /nfs/dbraw/zinc/79/20/91/449792091.db2.gz HTSLLKSBOWBMPN-NUJGCVRESA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1CCC[C@H](OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602767601 449792092 /nfs/dbraw/zinc/79/20/92/449792092.db2.gz HTSLLKSBOWBMPN-NUJGCVRESA-N 2 2 337.508 1.866 20 0 EDADLP C[C@]1(NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000612862271 449915292 /nfs/dbraw/zinc/91/52/92/449915292.db2.gz GOYSVWMKFULQNL-CJNGLKHVSA-N 2 2 338.477 1.173 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccccc1F ZINC000612865156 449916383 /nfs/dbraw/zinc/91/63/83/449916383.db2.gz IJAHUGVMZLNLFP-YOEHRIQHSA-N 2 2 331.395 1.700 20 0 EDADLP CC[C@@H](C(=O)N(CC)[C@H]1CC[NH+](CC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000617925063 449920761 /nfs/dbraw/zinc/92/07/61/449920761.db2.gz DUKWCFBYHZGRHU-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N(CC)[C@H]1CC[NH+](CC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000617925063 449920765 /nfs/dbraw/zinc/92/07/65/449920765.db2.gz DUKWCFBYHZGRHU-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617925063 449920768 /nfs/dbraw/zinc/92/07/68/449920768.db2.gz DUKWCFBYHZGRHU-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617925063 449920772 /nfs/dbraw/zinc/92/07/72/449920772.db2.gz DUKWCFBYHZGRHU-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N(CC)[C@@H]1CC[NH+](CC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000617925066 449921366 /nfs/dbraw/zinc/92/13/66/449921366.db2.gz DUKWCFBYHZGRHU-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N(CC)[C@@H]1CC[NH+](CC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000617925066 449921369 /nfs/dbraw/zinc/92/13/69/449921369.db2.gz DUKWCFBYHZGRHU-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617925066 449921373 /nfs/dbraw/zinc/92/13/73/449921373.db2.gz DUKWCFBYHZGRHU-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617925066 449921377 /nfs/dbraw/zinc/92/13/77/449921377.db2.gz DUKWCFBYHZGRHU-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CN(C(=O)c1ncc[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959996 449958045 /nfs/dbraw/zinc/95/80/45/449958045.db2.gz NVVYIWGBCVJQCH-CVEARBPZSA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1ncc[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612959996 449958052 /nfs/dbraw/zinc/95/80/52/449958052.db2.gz NVVYIWGBCVJQCH-CVEARBPZSA-N 2 2 333.480 1.819 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC12CC[NH2+]CC2 ZINC000612971908 449964818 /nfs/dbraw/zinc/96/48/18/449964818.db2.gz XXRMZNKYZIZYHW-JTQLQIEISA-N 2 2 331.342 1.387 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)Nc1ccn2cc[nH+]c2c1)C(C)C ZINC000603007009 450003460 /nfs/dbraw/zinc/00/34/60/450003460.db2.gz UVUDINCGWZODRL-HNNXBMFYSA-N 2 2 347.419 1.633 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCOC[C@H]3[C@H]3CCC[N@@H+]3C)cc2n1C ZINC000615265102 450027167 /nfs/dbraw/zinc/02/71/67/450027167.db2.gz HMVLDGWOULIRLT-AEFFLSMTSA-N 2 2 342.443 1.817 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCOC[C@H]3[C@H]3CCC[N@H+]3C)cc2n1C ZINC000615265102 450027170 /nfs/dbraw/zinc/02/71/70/450027170.db2.gz HMVLDGWOULIRLT-AEFFLSMTSA-N 2 2 342.443 1.817 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613241768 450097342 /nfs/dbraw/zinc/09/73/42/450097342.db2.gz UGIWDZOFABBBBJ-OAHLLOKOSA-N 2 2 339.443 1.942 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613241768 450097351 /nfs/dbraw/zinc/09/73/51/450097351.db2.gz UGIWDZOFABBBBJ-OAHLLOKOSA-N 2 2 339.443 1.942 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000610129501 450144965 /nfs/dbraw/zinc/14/49/65/450144965.db2.gz ZBGJISBSMCPYSD-UHFFFAOYSA-N 2 2 344.419 1.349 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615559332 450147240 /nfs/dbraw/zinc/14/72/40/450147240.db2.gz XTOSNQRWSBHFOJ-CVEARBPZSA-N 2 2 334.464 1.720 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ccccn1 ZINC000603299663 450225632 /nfs/dbraw/zinc/22/56/32/450225632.db2.gz HUQUUAKJGMFMKH-UHFFFAOYSA-N 2 2 332.492 1.889 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ccccn1 ZINC000603299663 450225637 /nfs/dbraw/zinc/22/56/37/450225637.db2.gz HUQUUAKJGMFMKH-UHFFFAOYSA-N 2 2 332.492 1.889 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC(n4cc[nH+]c4)C3)CC2)[nH+]c1 ZINC000603915423 450377080 /nfs/dbraw/zinc/37/70/80/450377080.db2.gz UCEZGVIUQDSJAI-UHFFFAOYSA-N 2 2 325.416 1.886 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000616550465 450447111 /nfs/dbraw/zinc/44/71/11/450447111.db2.gz UAKNNNGGXLCJLU-KZNAEPCWSA-N 2 2 338.455 1.909 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000616550465 450447114 /nfs/dbraw/zinc/44/71/14/450447114.db2.gz UAKNNNGGXLCJLU-KZNAEPCWSA-N 2 2 338.455 1.909 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000623258914 450467688 /nfs/dbraw/zinc/46/76/88/450467688.db2.gz JSINLTBLTGIUOE-ROUUACIJSA-N 2 2 338.455 1.879 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000623258914 450467689 /nfs/dbraw/zinc/46/76/89/450467689.db2.gz JSINLTBLTGIUOE-ROUUACIJSA-N 2 2 338.455 1.879 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC1 ZINC000625743542 450494056 /nfs/dbraw/zinc/49/40/56/450494056.db2.gz BNOKWJVLEARLKP-IIAWOOMASA-N 2 2 344.377 1.966 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC1 ZINC000625743542 450494057 /nfs/dbraw/zinc/49/40/57/450494057.db2.gz BNOKWJVLEARLKP-IIAWOOMASA-N 2 2 344.377 1.966 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+](C3CC3)C3CC3)CC2)cc1 ZINC000625840400 450519291 /nfs/dbraw/zinc/51/92/91/450519291.db2.gz OAYDNIIVNHPULL-UHFFFAOYSA-N 2 2 343.471 1.966 20 0 EDADLP CCO[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000625856582 450522585 /nfs/dbraw/zinc/52/25/85/450522585.db2.gz CEQPTHXCCNTSSJ-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP CCC(F)(F)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000623564749 450543706 /nfs/dbraw/zinc/54/37/06/450543706.db2.gz PUHOVCPFPWCXQV-UHFFFAOYSA-N 2 2 332.439 1.890 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000623617920 450552113 /nfs/dbraw/zinc/55/21/13/450552113.db2.gz VRYNSDVZELHQNB-SFHVURJKSA-N 2 2 348.466 1.855 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccccc1OCC1CC1 ZINC000623618357 450553085 /nfs/dbraw/zinc/55/30/85/450553085.db2.gz NUIGUQIZIWUGCU-KRWDZBQOSA-N 2 2 331.460 1.905 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccccc1OCC1CC1 ZINC000623618357 450553087 /nfs/dbraw/zinc/55/30/87/450553087.db2.gz NUIGUQIZIWUGCU-KRWDZBQOSA-N 2 2 331.460 1.905 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000626043302 450560394 /nfs/dbraw/zinc/56/03/94/450560394.db2.gz LSKVZSBDRRITOF-IZAXUBKRSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000626043302 450560397 /nfs/dbraw/zinc/56/03/97/450560397.db2.gz LSKVZSBDRRITOF-IZAXUBKRSA-N 2 2 345.487 1.342 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)CN2CCOCC2)CC1 ZINC000626088617 450573412 /nfs/dbraw/zinc/57/34/12/450573412.db2.gz GKTINYFTMNRCRD-QGZVFWFLSA-N 2 2 325.497 1.284 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000633032989 450627588 /nfs/dbraw/zinc/62/75/88/450627588.db2.gz FEWJXYOTXUSGLB-NVXWUHKLSA-N 2 2 341.459 1.987 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000633032989 450627592 /nfs/dbraw/zinc/62/75/92/450627592.db2.gz FEWJXYOTXUSGLB-NVXWUHKLSA-N 2 2 341.459 1.987 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627256612 450584812 /nfs/dbraw/zinc/58/48/12/450584812.db2.gz PYHIUCSQQGLLCP-ZWKOTPCHSA-N 2 2 340.427 1.213 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627256612 450584814 /nfs/dbraw/zinc/58/48/14/450584814.db2.gz PYHIUCSQQGLLCP-ZWKOTPCHSA-N 2 2 340.427 1.213 20 0 EDADLP Cc1csc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000623916640 450635248 /nfs/dbraw/zinc/63/52/48/450635248.db2.gz VJWGPYXBYAJTNJ-ZIAGYGMSSA-N 2 2 338.477 1.035 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633081469 450668282 /nfs/dbraw/zinc/66/82/82/450668282.db2.gz XTOAVWZIENDBDK-MRXNPFEDSA-N 2 2 348.495 1.077 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635135291 450679517 /nfs/dbraw/zinc/67/95/17/450679517.db2.gz CAYZJCFCMXIUIU-SFHVURJKSA-N 2 2 345.487 1.826 20 0 EDADLP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000635137457 450683473 /nfs/dbraw/zinc/68/34/73/450683473.db2.gz BAYRKDYDFZPVIU-KRWDZBQOSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000635137457 450683478 /nfs/dbraw/zinc/68/34/78/450683478.db2.gz BAYRKDYDFZPVIU-KRWDZBQOSA-N 2 2 331.460 1.345 20 0 EDADLP Cc1cn2ccc(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2[nH+]1 ZINC000635170711 450715868 /nfs/dbraw/zinc/71/58/68/450715868.db2.gz HEWHILVFGPDFKL-GASCZTMLSA-N 2 2 330.432 1.872 20 0 EDADLP Cc1cn2ccc(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2[nH+]1 ZINC000635170711 450715872 /nfs/dbraw/zinc/71/58/72/450715872.db2.gz HEWHILVFGPDFKL-GASCZTMLSA-N 2 2 330.432 1.872 20 0 EDADLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cn2)C[C@@H](C)O1 ZINC000629554977 450733392 /nfs/dbraw/zinc/73/33/92/450733392.db2.gz CDITTWDTKPLTIS-JFIYKMOQSA-N 2 2 348.491 1.242 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)C[N@@H+]1C1CC1 ZINC000631743868 450745275 /nfs/dbraw/zinc/74/52/75/450745275.db2.gz FGHMYAVCGHMUEF-NSNWQYSKSA-N 2 2 341.521 1.594 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)C[N@H+]1C1CC1 ZINC000631743868 450745283 /nfs/dbraw/zinc/74/52/83/450745283.db2.gz FGHMYAVCGHMUEF-NSNWQYSKSA-N 2 2 341.521 1.594 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NCCOc1cccc(F)c1)C2 ZINC000629585130 450750598 /nfs/dbraw/zinc/75/05/98/450750598.db2.gz LAHBGGAHAADARG-HDICACEKSA-N 2 2 335.423 1.252 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NCCOc1cccc(F)c1)C2 ZINC000629585130 450750602 /nfs/dbraw/zinc/75/06/02/450750602.db2.gz LAHBGGAHAADARG-HDICACEKSA-N 2 2 335.423 1.252 20 0 EDADLP CCN(CC)c1ccc(CNS(=O)(=O)CCC[NH+](C)C)c[nH+]1 ZINC000631757930 450753587 /nfs/dbraw/zinc/75/35/87/450753587.db2.gz MOHFKNAAZYCQNM-UHFFFAOYSA-N 2 2 328.482 1.299 20 0 EDADLP CN(C(=O)NCC[C@H]1CC1(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621548679 450767563 /nfs/dbraw/zinc/76/75/63/450767563.db2.gz BSGIDIUNEGTDMN-ZFWWWQNUSA-N 2 2 344.450 1.842 20 0 EDADLP CN(C(=O)NCC[C@H]1CC1(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621548679 450767569 /nfs/dbraw/zinc/76/75/69/450767569.db2.gz BSGIDIUNEGTDMN-ZFWWWQNUSA-N 2 2 344.450 1.842 20 0 EDADLP COc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c(OC(F)F)c1 ZINC000629654493 450771755 /nfs/dbraw/zinc/77/17/55/450771755.db2.gz YCKJJQXBDWETGQ-UHFFFAOYSA-N 2 2 340.330 1.541 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCOc1ccc(F)cc1 ZINC000631886275 450847572 /nfs/dbraw/zinc/84/75/72/450847572.db2.gz GQSUNDYUGFKQDQ-YOEHRIQHSA-N 2 2 335.423 1.395 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCOc1ccc(F)cc1 ZINC000631886275 450847574 /nfs/dbraw/zinc/84/75/74/450847574.db2.gz GQSUNDYUGFKQDQ-YOEHRIQHSA-N 2 2 335.423 1.395 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887646 450848437 /nfs/dbraw/zinc/84/84/37/450848437.db2.gz PKQAQYVYJHSVRX-WBVHZDCISA-N 2 2 344.459 1.401 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887646 450848441 /nfs/dbraw/zinc/84/84/41/450848441.db2.gz PKQAQYVYJHSVRX-WBVHZDCISA-N 2 2 344.459 1.401 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)c[nH+]2)CCO1 ZINC000635324932 450850501 /nfs/dbraw/zinc/85/05/01/450850501.db2.gz KRMHZLGHBCZUPP-OAHLLOKOSA-N 2 2 348.491 1.901 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)c[nH+]2)CCO1 ZINC000635324932 450850504 /nfs/dbraw/zinc/85/05/04/450850504.db2.gz KRMHZLGHBCZUPP-OAHLLOKOSA-N 2 2 348.491 1.901 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000621779210 450865384 /nfs/dbraw/zinc/86/53/84/450865384.db2.gz BNNAUQDSQUJCGA-RFUYNDQBSA-N 2 2 347.459 1.522 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000621779210 450865389 /nfs/dbraw/zinc/86/53/89/450865389.db2.gz BNNAUQDSQUJCGA-RFUYNDQBSA-N 2 2 347.459 1.522 20 0 EDADLP CC[N@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)Cc1ccccc1Cl ZINC000629915419 450884678 /nfs/dbraw/zinc/88/46/78/450884678.db2.gz BBPDWDPEJKYUCW-HNNXBMFYSA-N 2 2 339.867 1.345 20 0 EDADLP CC[N@@H+](CC(=O)NCC[NH+]1CC[C@H](O)C1)Cc1ccccc1Cl ZINC000629915419 450884683 /nfs/dbraw/zinc/88/46/83/450884683.db2.gz BBPDWDPEJKYUCW-HNNXBMFYSA-N 2 2 339.867 1.345 20 0 EDADLP CC[NH+](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)Cc1ccccc1Cl ZINC000629915419 450884690 /nfs/dbraw/zinc/88/46/90/450884690.db2.gz BBPDWDPEJKYUCW-HNNXBMFYSA-N 2 2 339.867 1.345 20 0 EDADLP CC[NH+](CC(=O)NCC[N@H+]1CC[C@H](O)C1)Cc1ccccc1Cl ZINC000629915419 450884695 /nfs/dbraw/zinc/88/46/95/450884695.db2.gz BBPDWDPEJKYUCW-HNNXBMFYSA-N 2 2 339.867 1.345 20 0 EDADLP Cc1nc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(C)c(C)[nH+]1 ZINC000624705106 450956565 /nfs/dbraw/zinc/95/65/65/450956565.db2.gz IJPVHYBEZJSSTG-KRWDZBQOSA-N 2 2 327.432 2.110 20 0 EDADLP Cc1nc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(C)c(C)[nH+]1 ZINC000624705106 450956570 /nfs/dbraw/zinc/95/65/70/450956570.db2.gz IJPVHYBEZJSSTG-KRWDZBQOSA-N 2 2 327.432 2.110 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[N@H+](C)CC(C)(C)C)no1 ZINC000635471473 450971234 /nfs/dbraw/zinc/97/12/34/450971234.db2.gz LTUFRUWGEOHXFM-UHFFFAOYSA-N 2 2 325.457 1.460 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[N@@H+](C)CC(C)(C)C)no1 ZINC000635471473 450971237 /nfs/dbraw/zinc/97/12/37/450971237.db2.gz LTUFRUWGEOHXFM-UHFFFAOYSA-N 2 2 325.457 1.460 20 0 EDADLP C[NH2+]CCOCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000626931975 451014992 /nfs/dbraw/zinc/01/49/92/451014992.db2.gz OXSRTCJDIZOIJW-UHFFFAOYSA-N 2 2 349.479 1.497 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cn2c1 ZINC000626944344 451023238 /nfs/dbraw/zinc/02/32/38/451023238.db2.gz GZJCTBIBYKBGGW-HDICACEKSA-N 2 2 327.432 1.784 20 0 EDADLP CCN(CC[NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000626944686 451023601 /nfs/dbraw/zinc/02/36/01/451023601.db2.gz UPNBSKBGKGCISK-QGZVFWFLSA-N 2 2 334.464 1.359 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)C(C)(C)C[NH+]3CCOCC3)cn21 ZINC000635544335 451039740 /nfs/dbraw/zinc/03/97/40/451039740.db2.gz PEJWFCDLEQAXGO-UHFFFAOYSA-N 2 2 330.432 1.617 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635556727 451053582 /nfs/dbraw/zinc/05/35/82/451053582.db2.gz REUAVYFNPWHLGI-GOSISDBHSA-N 2 2 347.459 1.060 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635556727 451053586 /nfs/dbraw/zinc/05/35/86/451053586.db2.gz REUAVYFNPWHLGI-GOSISDBHSA-N 2 2 347.459 1.060 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000635566476 451063895 /nfs/dbraw/zinc/06/38/95/451063895.db2.gz YFOIPVPOZZMEPW-KRWDZBQOSA-N 2 2 326.400 1.550 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000635566476 451063897 /nfs/dbraw/zinc/06/38/97/451063897.db2.gz YFOIPVPOZZMEPW-KRWDZBQOSA-N 2 2 326.400 1.550 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000627006855 451071406 /nfs/dbraw/zinc/07/14/06/451071406.db2.gz MYAJKJFAQFNTBD-YVFQKMDQSA-N 2 2 338.402 1.760 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000627006855 451071409 /nfs/dbraw/zinc/07/14/09/451071409.db2.gz MYAJKJFAQFNTBD-YVFQKMDQSA-N 2 2 338.402 1.760 20 0 EDADLP C[C@H](CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000635592738 451089197 /nfs/dbraw/zinc/08/91/97/451089197.db2.gz WXWRNMMDCDNGMJ-CHWSQXEVSA-N 2 2 348.369 1.461 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000635611916 451104134 /nfs/dbraw/zinc/10/41/34/451104134.db2.gz PIMCYRRYKPISBG-RRFJBIMHSA-N 2 2 332.448 1.663 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000635611916 451104141 /nfs/dbraw/zinc/10/41/41/451104141.db2.gz PIMCYRRYKPISBG-RRFJBIMHSA-N 2 2 332.448 1.663 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000635617146 451108094 /nfs/dbraw/zinc/10/80/94/451108094.db2.gz ZNOYWICFECUERR-QGZVFWFLSA-N 3 2 336.524 1.395 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000635617146 451108099 /nfs/dbraw/zinc/10/80/99/451108099.db2.gz ZNOYWICFECUERR-QGZVFWFLSA-N 3 2 336.524 1.395 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000635654379 451138673 /nfs/dbraw/zinc/13/86/73/451138673.db2.gz DQRLEVCMEHTJTQ-SJORKVTESA-N 2 2 334.464 1.651 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC([NH+]4CCOCC4)CC3)[nH+]c12 ZINC000628126498 451149985 /nfs/dbraw/zinc/14/99/85/451149985.db2.gz ULLQDONAWMWAMH-UHFFFAOYSA-N 2 2 342.443 1.508 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3cccc(O)c3)c2)CC1 ZINC000634193147 451228201 /nfs/dbraw/zinc/22/82/01/451228201.db2.gz DJWPUUDERJNROS-UHFFFAOYSA-N 2 2 326.400 1.720 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3C[C@H]3C3CCOCC3)c2)CC1 ZINC000634194798 451232371 /nfs/dbraw/zinc/23/23/71/451232371.db2.gz QDBXYHQLHUPHDX-DLBZAZTESA-N 2 2 344.459 1.835 20 0 EDADLP Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195053 451232462 /nfs/dbraw/zinc/23/24/62/451232462.db2.gz PIEHMUKBPOCITM-LBPRGKRZSA-N 2 2 342.447 1.916 20 0 EDADLP COCCC1(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCC1 ZINC000634195911 451234007 /nfs/dbraw/zinc/23/40/07/451234007.db2.gz JIQGTXPMGHZDTQ-UHFFFAOYSA-N 2 2 332.448 1.979 20 0 EDADLP CC(C)C[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000635812684 451259969 /nfs/dbraw/zinc/25/99/69/451259969.db2.gz UBFCRUSTTHRWNV-IRXDYDNUSA-N 2 2 335.496 1.613 20 0 EDADLP CC(C)C[C@@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000635812684 451259976 /nfs/dbraw/zinc/25/99/76/451259976.db2.gz UBFCRUSTTHRWNV-IRXDYDNUSA-N 2 2 335.496 1.613 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000636536811 451279059 /nfs/dbraw/zinc/27/90/59/451279059.db2.gz SECZPCVIHFTBQJ-HNNXBMFYSA-N 2 2 343.431 1.248 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnn2ccccc12 ZINC000640363947 451283382 /nfs/dbraw/zinc/28/33/82/451283382.db2.gz MZRRNOGYWOWPFQ-UHFFFAOYSA-N 2 2 344.463 1.824 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnn2ccccc12 ZINC000640363947 451283388 /nfs/dbraw/zinc/28/33/88/451283388.db2.gz MZRRNOGYWOWPFQ-UHFFFAOYSA-N 2 2 344.463 1.824 20 0 EDADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638125077 451294930 /nfs/dbraw/zinc/29/49/30/451294930.db2.gz CIDQCVVQHXVEKM-VBNZEHGJSA-N 2 2 337.851 1.661 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)C2 ZINC000635915243 451360636 /nfs/dbraw/zinc/36/06/36/451360636.db2.gz VLRYSOMIDQZYKZ-KDOFPFPSSA-N 2 2 346.475 1.174 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H]1CC[N@H+]1C1CCCC1)C2 ZINC000635915243 451360640 /nfs/dbraw/zinc/36/06/40/451360640.db2.gz VLRYSOMIDQZYKZ-KDOFPFPSSA-N 2 2 346.475 1.174 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1)C1CC1 ZINC000628667461 451362272 /nfs/dbraw/zinc/36/22/72/451362272.db2.gz PRTDSAAILYSGJT-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1)C1CC1 ZINC000628667461 451362275 /nfs/dbraw/zinc/36/22/75/451362275.db2.gz PRTDSAAILYSGJT-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C1CC1 ZINC000628667461 451362279 /nfs/dbraw/zinc/36/22/79/451362279.db2.gz PRTDSAAILYSGJT-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)C1CC1 ZINC000628667461 451362283 /nfs/dbraw/zinc/36/22/83/451362283.db2.gz PRTDSAAILYSGJT-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629382 451366488 /nfs/dbraw/zinc/36/64/88/451366488.db2.gz MPYFTNPYMGWEFI-PVAVHDDUSA-N 2 2 339.443 1.943 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629382 451366492 /nfs/dbraw/zinc/36/64/92/451366492.db2.gz MPYFTNPYMGWEFI-PVAVHDDUSA-N 2 2 339.443 1.943 20 0 EDADLP CC1(C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH+]1CCOCC1 ZINC000640517026 451368201 /nfs/dbraw/zinc/36/82/01/451368201.db2.gz XMGXQUDTIVGKLB-RRFJBIMHSA-N 2 2 332.448 1.061 20 0 EDADLP C[N@H+](CC(=O)NCc1nc(C[NH+]2CCCCC2)no1)CC(C)(C)C ZINC000635895963 451340071 /nfs/dbraw/zinc/34/00/71/451340071.db2.gz TWVNBWWPDMBPLM-UHFFFAOYSA-N 2 2 337.468 1.650 20 0 EDADLP C[N@@H+](CC(=O)NCc1nc(C[NH+]2CCCCC2)no1)CC(C)(C)C ZINC000635895963 451340077 /nfs/dbraw/zinc/34/00/77/451340077.db2.gz TWVNBWWPDMBPLM-UHFFFAOYSA-N 2 2 337.468 1.650 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC[N@@H+]1C ZINC000630702164 451349040 /nfs/dbraw/zinc/34/90/40/451349040.db2.gz FHDRNTQYSJFGSX-JKSUJKDBSA-N 2 2 332.448 1.265 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC[N@H+]1C ZINC000630702164 451349046 /nfs/dbraw/zinc/34/90/46/451349046.db2.gz FHDRNTQYSJFGSX-JKSUJKDBSA-N 2 2 332.448 1.265 20 0 EDADLP CC[NH2+][C@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000638274325 451393901 /nfs/dbraw/zinc/39/39/01/451393901.db2.gz HJCRISVNPOCDHM-CYBMUJFWSA-N 2 2 349.866 1.630 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000636714069 451437750 /nfs/dbraw/zinc/43/77/50/451437750.db2.gz MTHXCQOYSCJYOF-UHFFFAOYSA-N 2 2 335.452 1.141 20 0 EDADLP Cc1cc(NCCNC(=O)NCC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000636732019 451453005 /nfs/dbraw/zinc/45/30/05/451453005.db2.gz FOSDFZDPPFBTHR-UHFFFAOYSA-N 2 2 348.495 1.961 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636034989 451457810 /nfs/dbraw/zinc/45/78/10/451457810.db2.gz LTSKECXWWJILKB-ZIAGYGMSSA-N 2 2 344.415 1.105 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636034989 451457815 /nfs/dbraw/zinc/45/78/15/451457815.db2.gz LTSKECXWWJILKB-ZIAGYGMSSA-N 2 2 344.415 1.105 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1 ZINC000636052368 451467546 /nfs/dbraw/zinc/46/75/46/451467546.db2.gz CQIIUICJNGSMAU-FUHWJXTLSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1 ZINC000636052368 451467552 /nfs/dbraw/zinc/46/75/52/451467552.db2.gz CQIIUICJNGSMAU-FUHWJXTLSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000636052368 451467564 /nfs/dbraw/zinc/46/75/64/451467564.db2.gz CQIIUICJNGSMAU-FUHWJXTLSA-N 2 2 331.460 1.822 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccn1 ZINC000640624842 451472217 /nfs/dbraw/zinc/47/22/17/451472217.db2.gz VCOMGYABOJULBR-UHFFFAOYSA-N 2 2 335.452 1.064 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccn1 ZINC000640624842 451472220 /nfs/dbraw/zinc/47/22/20/451472220.db2.gz VCOMGYABOJULBR-UHFFFAOYSA-N 2 2 335.452 1.064 20 0 EDADLP CC(C)N1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634703226 451479544 /nfs/dbraw/zinc/47/95/44/451479544.db2.gz RTTSWVKIUANSBZ-PKOBYXMFSA-N 2 2 331.460 1.222 20 0 EDADLP CC(C)N1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634703226 451479549 /nfs/dbraw/zinc/47/95/49/451479549.db2.gz RTTSWVKIUANSBZ-PKOBYXMFSA-N 2 2 331.460 1.222 20 0 EDADLP Nc1ncc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)c(N)n1 ZINC000638387010 451479931 /nfs/dbraw/zinc/47/99/31/451479931.db2.gz XEVFLDBLDIBEQR-UHFFFAOYSA-N 2 2 330.411 1.195 20 0 EDADLP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2COCC[NH+]2C)cc1 ZINC000628918893 451480091 /nfs/dbraw/zinc/48/00/91/451480091.db2.gz DOLOOQLSRNIENL-GOSISDBHSA-N 2 2 333.476 1.979 20 0 EDADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2COCC[NH+]2C)cc1 ZINC000628918893 451480094 /nfs/dbraw/zinc/48/00/94/451480094.db2.gz DOLOOQLSRNIENL-GOSISDBHSA-N 2 2 333.476 1.979 20 0 EDADLP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000628918893 451480099 /nfs/dbraw/zinc/48/00/99/451480099.db2.gz DOLOOQLSRNIENL-GOSISDBHSA-N 2 2 333.476 1.979 20 0 EDADLP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000628918893 451480102 /nfs/dbraw/zinc/48/01/02/451480102.db2.gz DOLOOQLSRNIENL-GOSISDBHSA-N 2 2 333.476 1.979 20 0 EDADLP C[C@@H](C[C@H]1CCCC(=O)N1)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000638397769 451487657 /nfs/dbraw/zinc/48/76/57/451487657.db2.gz HGCJAJSRAYDZEY-LSDHHAIUSA-N 2 2 331.464 1.693 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](C3CC[NH2+]CC3)C1)CC2 ZINC000638401750 451491187 /nfs/dbraw/zinc/49/11/87/451491187.db2.gz WUDLPRFVXZMLKM-IAGOWNOFSA-N 2 2 330.476 1.992 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC[C@H](O)C(F)F)c2cc1C ZINC000634726550 451507267 /nfs/dbraw/zinc/50/72/67/451507267.db2.gz WCLYJCZLABRBOP-DOMZBBRYSA-N 2 2 327.375 1.620 20 0 EDADLP COc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000638482230 451535243 /nfs/dbraw/zinc/53/52/43/451535243.db2.gz PEBGITIUCDVZPY-CYBMUJFWSA-N 2 2 326.466 1.184 20 0 EDADLP COc1ncc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000638482230 451535248 /nfs/dbraw/zinc/53/52/48/451535248.db2.gz PEBGITIUCDVZPY-CYBMUJFWSA-N 2 2 326.466 1.184 20 0 EDADLP CC[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631035871 451544317 /nfs/dbraw/zinc/54/43/17/451544317.db2.gz XSNKHINZYZDYGK-UHFFFAOYSA-N 3 2 347.503 1.972 20 0 EDADLP Cc1nc(NCc2ccccc2C[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000631061241 451561750 /nfs/dbraw/zinc/56/17/50/451561750.db2.gz MZNBNHWTOKIYPA-UHFFFAOYSA-N 2 2 326.448 2.028 20 0 EDADLP Cc1nc(N)nc(NCc2ccccc2C[NH+]2CCC(C)CC2)[nH+]1 ZINC000631061241 451561753 /nfs/dbraw/zinc/56/17/53/451561753.db2.gz MZNBNHWTOKIYPA-UHFFFAOYSA-N 2 2 326.448 2.028 20 0 EDADLP FC(F)c1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000631073409 451567830 /nfs/dbraw/zinc/56/78/30/451567830.db2.gz MQDDRHJLQWXMCQ-OAHLLOKOSA-N 2 2 340.418 1.515 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632834057 451605682 /nfs/dbraw/zinc/60/56/82/451605682.db2.gz ZRESSBSKHHYREZ-MRXNPFEDSA-N 2 2 330.432 1.899 20 0 EDADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccon2)c1 ZINC000634953617 451621885 /nfs/dbraw/zinc/62/18/85/451621885.db2.gz FOARGYRKUPDEIG-UHFFFAOYSA-N 2 2 344.415 1.625 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000631171856 451622393 /nfs/dbraw/zinc/62/23/93/451622393.db2.gz IVJYNOJUILUQQI-KRWDZBQOSA-N 2 2 329.448 1.715 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000631171856 451622397 /nfs/dbraw/zinc/62/23/97/451622397.db2.gz IVJYNOJUILUQQI-KRWDZBQOSA-N 2 2 329.448 1.715 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000636255301 451625551 /nfs/dbraw/zinc/62/55/51/451625551.db2.gz GSCAVPNUWVGTHD-USXIJHARSA-N 2 2 340.427 1.913 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000636255301 451625559 /nfs/dbraw/zinc/62/55/59/451625559.db2.gz GSCAVPNUWVGTHD-USXIJHARSA-N 2 2 340.427 1.913 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000636255301 451625564 /nfs/dbraw/zinc/62/55/64/451625564.db2.gz GSCAVPNUWVGTHD-USXIJHARSA-N 2 2 340.427 1.913 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000636255301 451625570 /nfs/dbraw/zinc/62/55/70/451625570.db2.gz GSCAVPNUWVGTHD-USXIJHARSA-N 2 2 340.427 1.913 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000632904293 451642446 /nfs/dbraw/zinc/64/24/46/451642446.db2.gz MQLLCBIJTXUUAK-GDBMZVCRSA-N 2 2 332.448 1.577 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631229527 451650514 /nfs/dbraw/zinc/65/05/14/451650514.db2.gz MMZBWFJODNEQIJ-GOEBONIOSA-N 2 2 325.478 1.036 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631229527 451650518 /nfs/dbraw/zinc/65/05/18/451650518.db2.gz MMZBWFJODNEQIJ-GOEBONIOSA-N 2 2 325.478 1.036 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)n1C ZINC000631270426 451672795 /nfs/dbraw/zinc/67/27/95/451672795.db2.gz QMLMZVQFHMDXCU-UHFFFAOYSA-N 2 2 338.415 1.531 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638786707 451692041 /nfs/dbraw/zinc/69/20/41/451692041.db2.gz UZHUZDFMTXTBBR-HZPDHXFCSA-N 2 2 332.448 1.063 20 0 EDADLP COCC[NH2+]CCc1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000640942575 451699517 /nfs/dbraw/zinc/69/95/17/451699517.db2.gz MAUBSMFLCBEARY-UHFFFAOYSA-N 2 2 340.431 1.350 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638728567 451667545 /nfs/dbraw/zinc/66/75/45/451667545.db2.gz AYJOJRRTRUURHO-DLBZAZTESA-N 2 2 346.475 1.177 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638728567 451667549 /nfs/dbraw/zinc/66/75/49/451667549.db2.gz AYJOJRRTRUURHO-DLBZAZTESA-N 2 2 346.475 1.177 20 0 EDADLP [NH3+]CCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000637098974 451723711 /nfs/dbraw/zinc/72/37/11/451723711.db2.gz SIRSKDAQNNEWAA-UHFFFAOYSA-N 2 2 330.354 1.491 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984746 451745708 /nfs/dbraw/zinc/74/57/08/451745708.db2.gz PZJHEUSMVSXWBB-QGZVFWFLSA-N 3 2 325.416 1.438 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc2c1OCCO2 ZINC000638987433 451748042 /nfs/dbraw/zinc/74/80/42/451748042.db2.gz IVWBFCIVLGWVME-UHFFFAOYSA-N 2 2 340.383 1.515 20 0 EDADLP CC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC[NH2+]1 ZINC000638990832 451749056 /nfs/dbraw/zinc/74/90/56/451749056.db2.gz QWMLZVGRUURDDK-KRWDZBQOSA-N 2 2 334.489 1.783 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H](C[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000637411832 451839412 /nfs/dbraw/zinc/83/94/12/451839412.db2.gz UOJIOUCYUPBUGQ-OAHLLOKOSA-N 2 2 348.495 1.913 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000641270462 451800653 /nfs/dbraw/zinc/80/06/53/451800653.db2.gz GAMAPIHQCISPKQ-UHFFFAOYSA-N 2 2 348.472 1.251 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000641270462 451800655 /nfs/dbraw/zinc/80/06/55/451800655.db2.gz GAMAPIHQCISPKQ-UHFFFAOYSA-N 2 2 348.472 1.251 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCC[NH+]2CCCCC2)C1 ZINC000641280353 451805729 /nfs/dbraw/zinc/80/57/29/451805729.db2.gz WUCAUEZUOPKXGM-UHFFFAOYSA-N 2 2 337.489 1.439 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)NCC[NH+]2CCCCC2)C1 ZINC000641280353 451805735 /nfs/dbraw/zinc/80/57/35/451805735.db2.gz WUCAUEZUOPKXGM-UHFFFAOYSA-N 2 2 337.489 1.439 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000653276001 451810149 /nfs/dbraw/zinc/81/01/49/451810149.db2.gz TYXRDSYTJIMBHJ-IAGOWNOFSA-N 2 2 341.496 1.091 20 0 EDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641293095 451818715 /nfs/dbraw/zinc/81/87/15/451818715.db2.gz WOQNNILCFSVQOZ-CQSZACIVSA-N 2 2 328.482 1.313 20 0 EDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641293095 451818724 /nfs/dbraw/zinc/81/87/24/451818724.db2.gz WOQNNILCFSVQOZ-CQSZACIVSA-N 2 2 328.482 1.313 20 0 EDADLP CO[C@@]1(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CCOC1 ZINC000639328378 451828218 /nfs/dbraw/zinc/82/82/18/451828218.db2.gz WJIJFCZLGASREK-RTBURBONSA-N 2 2 333.476 1.198 20 0 EDADLP CO[C@@]1(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCOC1 ZINC000639328378 451828223 /nfs/dbraw/zinc/82/82/23/451828223.db2.gz WJIJFCZLGASREK-RTBURBONSA-N 2 2 333.476 1.198 20 0 EDADLP C[C@H](COCC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644530270 451844367 /nfs/dbraw/zinc/84/43/67/451844367.db2.gz DGZNHVJKOYZPIE-FVCCEPFGSA-N 2 2 328.375 1.014 20 0 EDADLP C[C@H](COCC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644530270 451844369 /nfs/dbraw/zinc/84/43/69/451844369.db2.gz DGZNHVJKOYZPIE-FVCCEPFGSA-N 2 2 328.375 1.014 20 0 EDADLP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000644547955 451855124 /nfs/dbraw/zinc/85/51/24/451855124.db2.gz IANCDKDUBMPNFO-ZWKOTPCHSA-N 2 2 334.460 1.632 20 0 EDADLP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000644547955 451855131 /nfs/dbraw/zinc/85/51/31/451855131.db2.gz IANCDKDUBMPNFO-ZWKOTPCHSA-N 2 2 334.460 1.632 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CCO1 ZINC000646853596 451890214 /nfs/dbraw/zinc/89/02/14/451890214.db2.gz IUHKECDRZQTSBT-RHSMWYFYSA-N 2 2 328.416 1.049 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000644666804 451926767 /nfs/dbraw/zinc/92/67/67/451926767.db2.gz VIKZLHZYFUXODZ-RCCFBDPRSA-N 2 2 331.460 1.222 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000644666804 451926769 /nfs/dbraw/zinc/92/67/69/451926769.db2.gz VIKZLHZYFUXODZ-RCCFBDPRSA-N 2 2 331.460 1.222 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000646933678 451947845 /nfs/dbraw/zinc/94/78/45/451947845.db2.gz HQTRJTRABGIKPO-SJLPKXTDSA-N 2 2 329.444 1.295 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)c3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000646933678 451947852 /nfs/dbraw/zinc/94/78/52/451947852.db2.gz HQTRJTRABGIKPO-SJLPKXTDSA-N 2 2 329.444 1.295 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CC2)cc1F ZINC000649280343 451952298 /nfs/dbraw/zinc/95/22/98/451952298.db2.gz DUIJMEUXGKTIJV-HOTGVXAUSA-N 2 2 349.450 1.854 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(CC(=O)N3CC[NH+](Cc4cccs4)CC3)[C@@H]2C1 ZINC000644728171 451954751 /nfs/dbraw/zinc/95/47/51/451954751.db2.gz CRQVPZULXHMHAV-NVXWUHKLSA-N 2 2 348.516 1.028 20 0 EDADLP C[N@H+]1C[C@H]2CCN(CC(=O)N3CC[NH+](Cc4cccs4)CC3)[C@@H]2C1 ZINC000644728171 451954758 /nfs/dbraw/zinc/95/47/58/451954758.db2.gz CRQVPZULXHMHAV-NVXWUHKLSA-N 2 2 348.516 1.028 20 0 EDADLP [NH3+][C@H]1CCCCN(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000649285405 451958399 /nfs/dbraw/zinc/95/83/99/451958399.db2.gz XOCNWDXMFYPUFJ-HNNXBMFYSA-N 2 2 327.388 1.151 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000649304981 451981354 /nfs/dbraw/zinc/98/13/54/451981354.db2.gz UCIKFMCZZWEURW-WMZOPIPTSA-N 3 2 341.459 1.012 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000649304981 451981357 /nfs/dbraw/zinc/98/13/57/451981357.db2.gz UCIKFMCZZWEURW-WMZOPIPTSA-N 3 2 341.459 1.012 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCC[NH2+]1 ZINC000649306627 451983590 /nfs/dbraw/zinc/98/35/90/451983590.db2.gz CRUOPRCXLPYNQZ-QGZVFWFLSA-N 2 2 332.379 1.396 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000641475469 452009406 /nfs/dbraw/zinc/00/94/06/452009406.db2.gz MLJKXPDFTVJUDO-INIZCTEOSA-N 2 2 340.493 1.600 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000641475469 452009412 /nfs/dbraw/zinc/00/94/12/452009412.db2.gz MLJKXPDFTVJUDO-INIZCTEOSA-N 2 2 340.493 1.600 20 0 EDADLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000641477964 452011810 /nfs/dbraw/zinc/01/18/10/452011810.db2.gz UMSRGQFAJBPWEI-CYBMUJFWSA-N 2 2 340.855 1.393 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000653572831 452022249 /nfs/dbraw/zinc/02/22/49/452022249.db2.gz CTMNDXHKOXSULL-CVEARBPZSA-N 2 2 347.459 1.946 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000653572831 452022254 /nfs/dbraw/zinc/02/22/54/452022254.db2.gz CTMNDXHKOXSULL-CVEARBPZSA-N 2 2 347.459 1.946 20 0 EDADLP O[C@@]1(C[N@@H+]2CCO[C@@]3(CCSC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639692094 452029929 /nfs/dbraw/zinc/02/99/29/452029929.db2.gz BZGOORXCHWPPIR-OALUTQOASA-N 2 2 348.512 1.831 20 0 EDADLP O[C@@]1(C[N@H+]2CCO[C@@]3(CCSC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639692094 452029932 /nfs/dbraw/zinc/02/99/32/452029932.db2.gz BZGOORXCHWPPIR-OALUTQOASA-N 2 2 348.512 1.831 20 0 EDADLP O[C@@]1(C[NH+]2CCO[C@@]3(CCSC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639692094 452029935 /nfs/dbraw/zinc/02/99/35/452029935.db2.gz BZGOORXCHWPPIR-OALUTQOASA-N 2 2 348.512 1.831 20 0 EDADLP O[C@@]1(C[NH+]2CCO[C@@]3(CCSC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639692094 452029939 /nfs/dbraw/zinc/02/99/39/452029939.db2.gz BZGOORXCHWPPIR-OALUTQOASA-N 2 2 348.512 1.831 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])c2)CC1 ZINC000649351779 452036105 /nfs/dbraw/zinc/03/61/05/452036105.db2.gz RGYCJDBXMSWMIN-WMZOPIPTSA-N 2 2 330.476 1.748 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000653646474 452058772 /nfs/dbraw/zinc/05/87/72/452058772.db2.gz QKQDIYRGVHRGGJ-HNNXBMFYSA-N 2 2 327.432 1.545 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411926 452075787 /nfs/dbraw/zinc/07/57/87/452075787.db2.gz VLFBWEZKVJTXRK-LSDHHAIUSA-N 2 2 334.439 1.380 20 0 EDADLP C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000649451233 452088092 /nfs/dbraw/zinc/08/80/92/452088092.db2.gz COLJFAXWEMCZTJ-NVXWUHKLSA-N 2 2 339.505 1.378 20 0 EDADLP C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000649451233 452088099 /nfs/dbraw/zinc/08/80/99/452088099.db2.gz COLJFAXWEMCZTJ-NVXWUHKLSA-N 2 2 339.505 1.378 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000639765037 452105483 /nfs/dbraw/zinc/10/54/83/452105483.db2.gz HRNYRSLOIVALEJ-RDJZCZTQSA-N 2 2 342.867 1.468 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000639765037 452105490 /nfs/dbraw/zinc/10/54/90/452105490.db2.gz HRNYRSLOIVALEJ-RDJZCZTQSA-N 2 2 342.867 1.468 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000639767543 452109853 /nfs/dbraw/zinc/10/98/53/452109853.db2.gz UWSNXEWJKBGPBA-ZIFCJYIRSA-N 2 2 337.508 1.556 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000639767543 452109857 /nfs/dbraw/zinc/10/98/57/452109857.db2.gz UWSNXEWJKBGPBA-ZIFCJYIRSA-N 2 2 337.508 1.556 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000637863348 452119802 /nfs/dbraw/zinc/11/98/02/452119802.db2.gz AQJVUSRZWPLORP-ZDUSSCGKSA-N 2 2 329.366 1.739 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000637863348 452119807 /nfs/dbraw/zinc/11/98/07/452119807.db2.gz AQJVUSRZWPLORP-ZDUSSCGKSA-N 2 2 329.366 1.739 20 0 EDADLP C[C@@H]1CN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000637864018 452120869 /nfs/dbraw/zinc/12/08/69/452120869.db2.gz KJXCJWHNPALYHM-RKVPGOIHSA-N 2 2 346.475 1.015 20 0 EDADLP C[C@@H]1CN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000637864018 452120870 /nfs/dbraw/zinc/12/08/70/452120870.db2.gz KJXCJWHNPALYHM-RKVPGOIHSA-N 2 2 346.475 1.015 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000639776417 452121118 /nfs/dbraw/zinc/12/11/18/452121118.db2.gz ALPOEEDMHPVMTI-MSOLQXFVSA-N 2 2 341.459 1.966 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000639776417 452121123 /nfs/dbraw/zinc/12/11/23/452121123.db2.gz ALPOEEDMHPVMTI-MSOLQXFVSA-N 2 2 341.459 1.966 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CC1 ZINC000639792664 452131364 /nfs/dbraw/zinc/13/13/64/452131364.db2.gz KVCMDFZAQFZCHA-INIZCTEOSA-N 2 2 339.443 1.193 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CC1 ZINC000639792664 452131368 /nfs/dbraw/zinc/13/13/68/452131368.db2.gz KVCMDFZAQFZCHA-INIZCTEOSA-N 2 2 339.443 1.193 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000643328130 452134206 /nfs/dbraw/zinc/13/42/06/452134206.db2.gz SLAIUHNJARJNQJ-QGZVFWFLSA-N 2 2 337.439 1.330 20 0 EDADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)NCc1cccs1 ZINC000647241310 452142365 /nfs/dbraw/zinc/14/23/65/452142365.db2.gz KJDDRGRTXBRSON-AWEZNQCLSA-N 2 2 335.477 1.732 20 0 EDADLP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000643345037 452144183 /nfs/dbraw/zinc/14/41/83/452144183.db2.gz KTGQICHOEAIFSW-GFCCVEGCSA-N 2 2 327.831 1.774 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c(O)cccc3O)CC2)CC1 ZINC000643375332 452160677 /nfs/dbraw/zinc/16/06/77/452160677.db2.gz QZVHXPYWYKVWFE-UHFFFAOYSA-N 2 2 347.459 1.730 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c(O)cccc3O)CC2)CC1 ZINC000643375332 452160683 /nfs/dbraw/zinc/16/06/83/452160683.db2.gz QZVHXPYWYKVWFE-UHFFFAOYSA-N 2 2 347.459 1.730 20 0 EDADLP CC(C)Oc1cc[nH+]c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000649623651 452172793 /nfs/dbraw/zinc/17/27/93/452172793.db2.gz ZFPDRYGLKPWJTD-QGZVFWFLSA-N 2 2 346.475 1.655 20 0 EDADLP c1nc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)cc(NC2CC2)[nH+]1 ZINC000641717627 452215672 /nfs/dbraw/zinc/21/56/72/452215672.db2.gz DOVDIYRQPZIBLF-INIZCTEOSA-N 2 2 346.479 1.259 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2cc3c(cc2OCCOC)OCO3)CC[C@H]1[NH3+] ZINC000647498153 452240168 /nfs/dbraw/zinc/24/01/68/452240168.db2.gz BNVXECDFPIJIGD-UKRRQHHQSA-N 2 2 336.432 2.000 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2cc3c(cc2OCCOC)OCO3)CC[C@H]1[NH3+] ZINC000647498153 452240173 /nfs/dbraw/zinc/24/01/73/452240173.db2.gz BNVXECDFPIJIGD-UKRRQHHQSA-N 2 2 336.432 2.000 20 0 EDADLP CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000645265974 452245385 /nfs/dbraw/zinc/24/53/85/452245385.db2.gz PQUHBTIGDPWRNC-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645265974 452245392 /nfs/dbraw/zinc/24/53/92/452245392.db2.gz PQUHBTIGDPWRNC-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000645268344 452247626 /nfs/dbraw/zinc/24/76/26/452247626.db2.gz PQCCAXDTVDCXAN-KRWDZBQOSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cn(C)nn1 ZINC000641777549 452248264 /nfs/dbraw/zinc/24/82/64/452248264.db2.gz UOIUBJNQIWSREB-UHFFFAOYSA-N 2 2 327.436 2.119 20 0 EDADLP Cn1ncnc1CNc1[nH+]c2ccccc2n1CCCn1cc[nH+]c1 ZINC000641778287 452249226 /nfs/dbraw/zinc/24/92/26/452249226.db2.gz JPETVXSTIUFAQL-UHFFFAOYSA-N 2 2 336.403 2.064 20 0 EDADLP C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661446295 452249238 /nfs/dbraw/zinc/24/92/38/452249238.db2.gz RTHCRVJRSRACFM-WMZOPIPTSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661446295 452249243 /nfs/dbraw/zinc/24/92/43/452249243.db2.gz RTHCRVJRSRACFM-WMZOPIPTSA-N 2 2 349.475 1.407 20 0 EDADLP CC1(C)C[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000641784957 452254364 /nfs/dbraw/zinc/25/43/64/452254364.db2.gz FSWGMSSSUNAHMW-SJORKVTESA-N 2 2 325.497 1.330 20 0 EDADLP Cc1csc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000641786746 452261076 /nfs/dbraw/zinc/26/10/76/452261076.db2.gz RVOSTPXHYAZMCO-JKSUJKDBSA-N 2 2 338.521 1.899 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000647529345 452262711 /nfs/dbraw/zinc/26/27/11/452262711.db2.gz HYTIJYKWENQLOI-JKSUJKDBSA-N 2 2 342.867 1.516 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000647529345 452262716 /nfs/dbraw/zinc/26/27/16/452262716.db2.gz HYTIJYKWENQLOI-JKSUJKDBSA-N 2 2 342.867 1.516 20 0 EDADLP COC[C@@H](CC(C)C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789104 452266186 /nfs/dbraw/zinc/26/61/86/452266186.db2.gz YRTWLCLPPGUCTK-ZWKOTPCHSA-N 2 2 327.513 1.434 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000659429463 452274454 /nfs/dbraw/zinc/27/44/54/452274454.db2.gz NMOVEFMNFBMKSE-UHFFFAOYSA-N 2 2 325.416 1.564 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)NCC34CC(C3)C[NH2+]4)c[nH+]2)CC1 ZINC000659432847 452278874 /nfs/dbraw/zinc/27/88/74/452278874.db2.gz QUHIWIHKZWQBMG-UHFFFAOYSA-N 2 2 343.475 1.869 20 0 EDADLP CCn1c2nnc(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)n2c2ccccc2c1=O ZINC000641804184 452279873 /nfs/dbraw/zinc/27/98/73/452279873.db2.gz JFVLZFINYNLJTP-KBPBESRZSA-N 2 2 340.431 1.280 20 0 EDADLP CC1(C)CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000638033200 452284956 /nfs/dbraw/zinc/28/49/56/452284956.db2.gz JOCGWSGGWNQILI-UHFFFAOYSA-N 2 2 326.448 1.398 20 0 EDADLP CC1(C)CN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000638033200 452284965 /nfs/dbraw/zinc/28/49/65/452284965.db2.gz JOCGWSGGWNQILI-UHFFFAOYSA-N 2 2 326.448 1.398 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000655487929 452286623 /nfs/dbraw/zinc/28/66/23/452286623.db2.gz QHHZDQOJMHVSKH-PQHDGLIZSA-N 2 2 341.496 1.133 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000659452956 452303207 /nfs/dbraw/zinc/30/32/07/452303207.db2.gz GSJPDVUVCUETNC-KRWDZBQOSA-N 2 2 348.491 1.309 20 0 EDADLP CCC1([NH+]2CCCC2)CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000639988168 452318915 /nfs/dbraw/zinc/31/89/15/452318915.db2.gz PFDGVCVIXWTNLQ-KRWDZBQOSA-N 2 2 325.497 1.020 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000638051491 452323181 /nfs/dbraw/zinc/32/31/81/452323181.db2.gz JDLCGKAJMNMKFO-KBXCAEBGSA-N 2 2 330.432 1.618 20 0 EDADLP [NH3+]C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(F)(F)F ZINC000655516401 452325439 /nfs/dbraw/zinc/32/54/39/452325439.db2.gz UROOTBCWTIMFLW-CYBMUJFWSA-N 2 2 331.338 1.138 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000643612622 452338424 /nfs/dbraw/zinc/33/84/24/452338424.db2.gz NZNAWUHGYPEJSC-BPQIPLTHSA-N 2 2 331.460 1.169 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000643612622 452338437 /nfs/dbraw/zinc/33/84/37/452338437.db2.gz NZNAWUHGYPEJSC-BPQIPLTHSA-N 2 2 331.460 1.169 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638060568 452351415 /nfs/dbraw/zinc/35/14/15/452351415.db2.gz XJAJTKKNRZAKFS-QZTJIDSGSA-N 2 2 332.492 1.388 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000645388601 452363832 /nfs/dbraw/zinc/36/38/32/452363832.db2.gz YUROSWZHKVVLDW-AWEZNQCLSA-N 2 2 334.493 1.571 20 0 EDADLP COC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655551687 452368505 /nfs/dbraw/zinc/36/85/05/452368505.db2.gz BCMROXVOHQWMHT-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP COC[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655551687 452368509 /nfs/dbraw/zinc/36/85/09/452368509.db2.gz BCMROXVOHQWMHT-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000638069896 452374680 /nfs/dbraw/zinc/37/46/80/452374680.db2.gz TYCSNVDMGJFBKS-IBGZPJMESA-N 2 2 339.439 1.870 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000638069896 452374683 /nfs/dbraw/zinc/37/46/83/452374683.db2.gz TYCSNVDMGJFBKS-IBGZPJMESA-N 2 2 339.439 1.870 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC2(F)F)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000649907013 452378975 /nfs/dbraw/zinc/37/89/75/452378975.db2.gz HYMLVRNEAWDMGA-MRXNPFEDSA-N 2 2 339.386 1.655 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC2(F)F)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000649907013 452378983 /nfs/dbraw/zinc/37/89/83/452378983.db2.gz HYMLVRNEAWDMGA-MRXNPFEDSA-N 2 2 339.386 1.655 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652197421 452394073 /nfs/dbraw/zinc/39/40/73/452394073.db2.gz ZFNSCSRUMLTIBY-ZNMIVQPWSA-N 2 2 335.452 1.331 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000638079286 452396725 /nfs/dbraw/zinc/39/67/25/452396725.db2.gz LUDINZCAXYUXIJ-SJLPKXTDSA-N 2 2 333.432 1.224 20 0 EDADLP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1CC[NH2+]CC1=O ZINC000638081321 452397414 /nfs/dbraw/zinc/39/74/14/452397414.db2.gz XXGYZQGDCSHZOI-OAHLLOKOSA-N 2 2 344.459 1.084 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659539905 452397904 /nfs/dbraw/zinc/39/79/04/452397904.db2.gz SDIWPLVOPUGXAB-UHFFFAOYSA-N 2 2 336.480 1.050 20 0 EDADLP Cc1cc(C(F)(F)F)cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC000663700940 452438758 /nfs/dbraw/zinc/43/87/58/452438758.db2.gz JRUANBNYJGHZBR-CYBMUJFWSA-N 2 2 333.354 1.538 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000659589492 452446621 /nfs/dbraw/zinc/44/66/21/452446621.db2.gz QYCUJIOMOUJRKE-IRXDYDNUSA-N 2 2 343.431 1.705 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)Cc2c[nH]c[nH+]2)cc1 ZINC000659589492 452446622 /nfs/dbraw/zinc/44/66/22/452446622.db2.gz QYCUJIOMOUJRKE-IRXDYDNUSA-N 2 2 343.431 1.705 20 0 EDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663708321 452447396 /nfs/dbraw/zinc/44/73/96/452447396.db2.gz NIWNIBPVXDBAEG-AWEZNQCLSA-N 2 2 327.432 1.696 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663740237 452475140 /nfs/dbraw/zinc/47/51/40/452475140.db2.gz XRDVGKDIIRESIX-KRWDZBQOSA-N 2 2 339.443 1.736 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663740237 452475169 /nfs/dbraw/zinc/47/51/69/452475169.db2.gz XRDVGKDIIRESIX-KRWDZBQOSA-N 2 2 339.443 1.736 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000652341197 452513766 /nfs/dbraw/zinc/51/37/66/452513766.db2.gz PRDNSWFJNULIKN-OAHLLOKOSA-N 2 2 342.281 1.542 20 0 EDADLP COCC(=O)Nc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655694969 452515664 /nfs/dbraw/zinc/51/56/64/452515664.db2.gz JHJXLMVCRUHXND-GOSISDBHSA-N 2 2 347.459 1.614 20 0 EDADLP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655715319 452534217 /nfs/dbraw/zinc/53/42/17/452534217.db2.gz JMZFOMOPFHMPLA-ROUUACIJSA-N 2 2 343.471 1.914 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C[C@H]1C[NH3+] ZINC000652357214 452535048 /nfs/dbraw/zinc/53/50/48/452535048.db2.gz BXEBVWKSRBJOPI-KYHPRHEASA-N 2 2 333.476 1.856 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)C[C@H]1C[NH3+] ZINC000652357214 452535057 /nfs/dbraw/zinc/53/50/57/452535057.db2.gz BXEBVWKSRBJOPI-KYHPRHEASA-N 2 2 333.476 1.856 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000652357853 452536996 /nfs/dbraw/zinc/53/69/96/452536996.db2.gz IAJJPZGKWQBVDU-KBRIMQKVSA-N 2 2 335.448 1.708 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000652357853 452537004 /nfs/dbraw/zinc/53/70/04/452537004.db2.gz IAJJPZGKWQBVDU-KBRIMQKVSA-N 2 2 335.448 1.708 20 0 EDADLP O=C(NCC1C[NH2+]C1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000640239699 452538806 /nfs/dbraw/zinc/53/88/06/452538806.db2.gz FSMDMKBRLMRJMN-DLBZAZTESA-N 2 2 325.416 1.630 20 0 EDADLP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C(F)(F)F)n1 ZINC000655734238 452546523 /nfs/dbraw/zinc/54/65/23/452546523.db2.gz CRFYBGTUGYRCBR-CYBMUJFWSA-N 2 2 332.370 1.782 20 0 EDADLP CC[C@H](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370558 452557064 /nfs/dbraw/zinc/55/70/64/452557064.db2.gz CVFMHWDUJQYXOX-YQQAZPJKSA-N 2 2 340.512 1.515 20 0 EDADLP CC[C@H](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370558 452557072 /nfs/dbraw/zinc/55/70/72/452557072.db2.gz CVFMHWDUJQYXOX-YQQAZPJKSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CS1 ZINC000655767420 452567227 /nfs/dbraw/zinc/56/72/27/452567227.db2.gz UZIWDBZVZDFXSV-YZDRTPDPSA-N 2 2 325.522 1.944 20 0 EDADLP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CS1 ZINC000655767420 452567235 /nfs/dbraw/zinc/56/72/35/452567235.db2.gz UZIWDBZVZDFXSV-YZDRTPDPSA-N 2 2 325.522 1.944 20 0 EDADLP c1cc2n(n1)CCC[C@H]2[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000657864058 452576068 /nfs/dbraw/zinc/57/60/68/452576068.db2.gz NQPULYIJZVALPX-GOSISDBHSA-N 3 2 340.475 1.915 20 0 EDADLP CN1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCC1=O ZINC000661805418 452588194 /nfs/dbraw/zinc/58/81/94/452588194.db2.gz ISQSAZRNKLOTBQ-UHFFFAOYSA-N 2 2 330.476 1.363 20 0 EDADLP CN1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCC1=O ZINC000661805418 452588203 /nfs/dbraw/zinc/58/82/03/452588203.db2.gz ISQSAZRNKLOTBQ-UHFFFAOYSA-N 2 2 330.476 1.363 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000655817851 452591916 /nfs/dbraw/zinc/59/19/16/452591916.db2.gz AFZAENGCHIDBEU-INIZCTEOSA-N 2 2 345.447 1.886 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000647860455 452595707 /nfs/dbraw/zinc/59/57/07/452595707.db2.gz IRELRDYLHYZDFJ-BBRMVZONSA-N 2 2 331.416 1.111 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000647860455 452595712 /nfs/dbraw/zinc/59/57/12/452595712.db2.gz IRELRDYLHYZDFJ-BBRMVZONSA-N 2 2 331.416 1.111 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000647879853 452618658 /nfs/dbraw/zinc/61/86/58/452618658.db2.gz MTELQZXJIBKVPQ-PMPSAXMXSA-N 2 2 346.393 1.961 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000647879853 452618670 /nfs/dbraw/zinc/61/86/70/452618670.db2.gz MTELQZXJIBKVPQ-PMPSAXMXSA-N 2 2 346.393 1.961 20 0 EDADLP O=C(CC[NH2+][C@H]1C[C@H](O)C12CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000661835530 452620395 /nfs/dbraw/zinc/62/03/95/452620395.db2.gz NWLCRNDWCOVYTL-HOTGVXAUSA-N 2 2 344.459 1.013 20 0 EDADLP C[C@H](Cn1cncn1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000657950056 452630430 /nfs/dbraw/zinc/63/04/30/452630430.db2.gz MPSAMARFQXVAAT-CQSZACIVSA-N 2 2 329.452 1.704 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663904140 452632486 /nfs/dbraw/zinc/63/24/86/452632486.db2.gz BMECEHGUQKCEOD-JKSUJKDBSA-N 2 2 345.491 1.891 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)C2)C1 ZINC000663939697 452660900 /nfs/dbraw/zinc/66/09/00/452660900.db2.gz POMUNUCMWMXIOB-LJQANCHMSA-N 2 2 345.491 1.750 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)C2)C1 ZINC000663939697 452660906 /nfs/dbraw/zinc/66/09/06/452660906.db2.gz POMUNUCMWMXIOB-LJQANCHMSA-N 2 2 345.491 1.750 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)C2)C1 ZINC000663939697 452660908 /nfs/dbraw/zinc/66/09/08/452660908.db2.gz POMUNUCMWMXIOB-LJQANCHMSA-N 2 2 345.491 1.750 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)C2)C1 ZINC000663939697 452660913 /nfs/dbraw/zinc/66/09/13/452660913.db2.gz POMUNUCMWMXIOB-LJQANCHMSA-N 2 2 345.491 1.750 20 0 EDADLP COCCOc1cccc(CNC(=O)C[NH+]2CCC(C)([NH3+])CC2)c1 ZINC000647925599 452663515 /nfs/dbraw/zinc/66/35/15/452663515.db2.gz PNFDUTLZNHOVFP-UHFFFAOYSA-N 2 2 335.448 1.141 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912219 452670871 /nfs/dbraw/zinc/67/08/71/452670871.db2.gz LJFUHLYUPJGKDY-GFCCVEGCSA-N 2 2 329.326 1.534 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCCCC[N@@H+](C)C3CC3)cc2[nH+]1 ZINC000658002230 452676160 /nfs/dbraw/zinc/67/61/60/452676160.db2.gz UASMDGGUZKGOQK-UHFFFAOYSA-N 2 2 343.431 1.572 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCCCC[N@H+](C)C3CC3)cc2[nH+]1 ZINC000658002230 452676165 /nfs/dbraw/zinc/67/61/65/452676165.db2.gz UASMDGGUZKGOQK-UHFFFAOYSA-N 2 2 343.431 1.572 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H](c2ccncc2)C1)[NH+]1CCOCC1 ZINC000647934144 452677335 /nfs/dbraw/zinc/67/73/35/452677335.db2.gz CIOLEXHRKLOMKP-QGZVFWFLSA-N 2 2 346.475 1.098 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H](c2ccncc2)C1)[NH+]1CCOCC1 ZINC000647934144 452677340 /nfs/dbraw/zinc/67/73/40/452677340.db2.gz CIOLEXHRKLOMKP-QGZVFWFLSA-N 2 2 346.475 1.098 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1C ZINC000655915579 452677557 /nfs/dbraw/zinc/67/75/57/452677557.db2.gz WBJYNXXVLPXOEK-LLVKDONJSA-N 2 2 334.342 1.738 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(C[NH3+])o3)c2)CC1 ZINC000645736239 452735626 /nfs/dbraw/zinc/73/56/26/452735626.db2.gz JAUAHKRDKXQNSH-UHFFFAOYSA-N 2 2 328.416 1.738 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(C[NH3+])o3)c2)CC1 ZINC000645736239 452735635 /nfs/dbraw/zinc/73/56/35/452735635.db2.gz JAUAHKRDKXQNSH-UHFFFAOYSA-N 2 2 328.416 1.738 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648534 452738431 /nfs/dbraw/zinc/73/84/31/452738431.db2.gz CEXPOJNVFPROAY-OAGGEKHMSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648534 452738440 /nfs/dbraw/zinc/73/84/40/452738440.db2.gz CEXPOJNVFPROAY-OAGGEKHMSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654648014 452739292 /nfs/dbraw/zinc/73/92/92/452739292.db2.gz BBVBONAFBKIGIB-OAGGEKHMSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654648014 452739301 /nfs/dbraw/zinc/73/93/01/452739301.db2.gz BBVBONAFBKIGIB-OAGGEKHMSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)Cn1nccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000648012277 452750811 /nfs/dbraw/zinc/75/08/11/452750811.db2.gz XEADVHKYPNKXBN-IEBWSBKVSA-N 2 2 333.524 1.997 20 0 EDADLP CC(C)Cn1nccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000648012277 452750818 /nfs/dbraw/zinc/75/08/18/452750818.db2.gz XEADVHKYPNKXBN-IEBWSBKVSA-N 2 2 333.524 1.997 20 0 EDADLP COc1ccc(F)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000666312010 452769865 /nfs/dbraw/zinc/76/98/65/452769865.db2.gz MJSQDWPVEPQDFP-UHFFFAOYSA-N 2 2 326.416 1.839 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](C2CCC2)C1)[NH+]1CCOCC1 ZINC000662039642 452793558 /nfs/dbraw/zinc/79/35/58/452793558.db2.gz QHGNUPZLQFTJDH-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](C2CCC2)C1)[NH+]1CCOCC1 ZINC000662039642 452793564 /nfs/dbraw/zinc/79/35/64/452793564.db2.gz QHGNUPZLQFTJDH-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP CC(C)[C@H]([NH3+])CC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000648118584 452835596 /nfs/dbraw/zinc/83/55/96/452835596.db2.gz SPQNOQNVXRPTEL-CABCVRRESA-N 3 2 333.480 1.264 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1ccc(F)cn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118559 452835734 /nfs/dbraw/zinc/83/57/34/452835734.db2.gz NLQWZZYZOGZVNL-OAHLLOKOSA-N 2 2 343.406 1.739 20 0 EDADLP CCN(C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@H]1CC[N@H+](C)C1 ZINC000666396157 452842383 /nfs/dbraw/zinc/84/23/83/452842383.db2.gz OEKDAOZQWRBSFF-HNNXBMFYSA-N 2 2 347.463 1.785 20 0 EDADLP CCN(C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@H]1CC[N@@H+](C)C1 ZINC000666396157 452842387 /nfs/dbraw/zinc/84/23/87/452842387.db2.gz OEKDAOZQWRBSFF-HNNXBMFYSA-N 2 2 347.463 1.785 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000648201270 452907336 /nfs/dbraw/zinc/90/73/36/452907336.db2.gz FASFBFMZCDBHHG-KRWDZBQOSA-N 2 2 347.507 1.815 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000664234119 452910080 /nfs/dbraw/zinc/91/00/80/452910080.db2.gz QLTWXDJIEOFQRZ-OZSLIKBDSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000664234119 452910088 /nfs/dbraw/zinc/91/00/88/452910088.db2.gz QLTWXDJIEOFQRZ-OZSLIKBDSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000664234119 452910096 /nfs/dbraw/zinc/91/00/96/452910096.db2.gz QLTWXDJIEOFQRZ-OZSLIKBDSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000664234119 452910106 /nfs/dbraw/zinc/91/01/06/452910106.db2.gz QLTWXDJIEOFQRZ-OZSLIKBDSA-N 2 2 338.496 1.410 20 0 EDADLP CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000660027142 452934927 /nfs/dbraw/zinc/93/49/27/452934927.db2.gz MBSKSRSBQIBSCF-INIZCTEOSA-N 2 2 348.472 1.694 20 0 EDADLP CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000660027142 452934936 /nfs/dbraw/zinc/93/49/36/452934936.db2.gz MBSKSRSBQIBSCF-INIZCTEOSA-N 2 2 348.472 1.694 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000654808299 452939883 /nfs/dbraw/zinc/93/98/83/452939883.db2.gz YQCOVQRHABCRFD-SJORKVTESA-N 2 2 345.491 1.049 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000658425818 452950702 /nfs/dbraw/zinc/95/07/02/452950702.db2.gz FIPFLCOMUSNHPB-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000658425818 452950705 /nfs/dbraw/zinc/95/07/05/452950705.db2.gz FIPFLCOMUSNHPB-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000658428217 452957008 /nfs/dbraw/zinc/95/70/08/452957008.db2.gz UMHNIDVKDYAHSV-UHFFFAOYSA-N 2 2 340.855 1.278 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000658428217 452957016 /nfs/dbraw/zinc/95/70/16/452957016.db2.gz UMHNIDVKDYAHSV-UHFFFAOYSA-N 2 2 340.855 1.278 20 0 EDADLP Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1F ZINC000658427981 452957150 /nfs/dbraw/zinc/95/71/50/452957150.db2.gz GOESZWSDUBDOGC-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1F ZINC000658427981 452957157 /nfs/dbraw/zinc/95/71/57/452957157.db2.gz GOESZWSDUBDOGC-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP COc1ncc(Br)cc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000662243964 452970376 /nfs/dbraw/zinc/97/03/76/452970376.db2.gz AARHKNOSEMDVJW-UHFFFAOYSA-N 2 2 343.269 1.190 20 0 EDADLP COc1ncc(Br)cc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000662243964 452970384 /nfs/dbraw/zinc/97/03/84/452970384.db2.gz AARHKNOSEMDVJW-UHFFFAOYSA-N 2 2 343.269 1.190 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261274 452990769 /nfs/dbraw/zinc/99/07/69/452990769.db2.gz WCGYWKYQFQFXHI-SFHVURJKSA-N 2 2 345.487 1.642 20 0 EDADLP COc1cc(OC)cc(N2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000662262316 452993092 /nfs/dbraw/zinc/99/30/92/452993092.db2.gz FKEFAAARLUFPHJ-SFHVURJKSA-N 2 2 335.448 1.204 20 0 EDADLP COc1cc(OC)cc(N2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000662262316 452993098 /nfs/dbraw/zinc/99/30/98/452993098.db2.gz FKEFAAARLUFPHJ-SFHVURJKSA-N 2 2 335.448 1.204 20 0 EDADLP CO[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648316173 452998259 /nfs/dbraw/zinc/99/82/59/452998259.db2.gz LGXLPPWYXOSLSJ-MJGOQNOKSA-N 2 2 345.487 1.529 20 0 EDADLP CO[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648316173 452998267 /nfs/dbraw/zinc/99/82/67/452998267.db2.gz LGXLPPWYXOSLSJ-MJGOQNOKSA-N 2 2 345.487 1.529 20 0 EDADLP c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](C[C@@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662279066 453004551 /nfs/dbraw/zinc/00/45/51/453004551.db2.gz PNSGAVLWMMPBOI-HOTGVXAUSA-N 2 2 327.432 1.640 20 0 EDADLP c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](C[C@@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662279066 453004560 /nfs/dbraw/zinc/00/45/60/453004560.db2.gz PNSGAVLWMMPBOI-HOTGVXAUSA-N 2 2 327.432 1.640 20 0 EDADLP c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](C[C@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662279069 453005783 /nfs/dbraw/zinc/00/57/83/453005783.db2.gz PNSGAVLWMMPBOI-JKSUJKDBSA-N 2 2 327.432 1.640 20 0 EDADLP c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](C[C@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662279069 453005785 /nfs/dbraw/zinc/00/57/85/453005785.db2.gz PNSGAVLWMMPBOI-JKSUJKDBSA-N 2 2 327.432 1.640 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccnc1N1CCCC1 ZINC000664330617 453006223 /nfs/dbraw/zinc/00/62/23/453006223.db2.gz KBXCHULYFUNBQD-UHFFFAOYSA-N 2 2 348.495 1.687 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccnc1N1CCCC1 ZINC000664330617 453006232 /nfs/dbraw/zinc/00/62/32/453006232.db2.gz KBXCHULYFUNBQD-UHFFFAOYSA-N 2 2 348.495 1.687 20 0 EDADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000646022721 453019195 /nfs/dbraw/zinc/01/91/95/453019195.db2.gz BFTJXRBYWFYIGQ-LJQANCHMSA-N 2 2 342.443 1.460 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662327114 453044973 /nfs/dbraw/zinc/04/49/73/453044973.db2.gz JPNSZBVBRTZWPD-PKOBYXMFSA-N 3 2 335.492 1.780 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662327114 453044977 /nfs/dbraw/zinc/04/49/77/453044977.db2.gz JPNSZBVBRTZWPD-PKOBYXMFSA-N 3 2 335.492 1.780 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662327112 453045200 /nfs/dbraw/zinc/04/52/00/453045200.db2.gz JPNSZBVBRTZWPD-IEBWSBKVSA-N 3 2 335.492 1.780 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662327112 453045210 /nfs/dbraw/zinc/04/52/10/453045210.db2.gz JPNSZBVBRTZWPD-IEBWSBKVSA-N 3 2 335.492 1.780 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662355350 453069931 /nfs/dbraw/zinc/06/99/31/453069931.db2.gz HDLVWLNPLYPXCI-INIZCTEOSA-N 2 2 340.512 1.010 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000650877592 453077238 /nfs/dbraw/zinc/07/72/38/453077238.db2.gz ZWLUDFUMMYLSJL-ZMSDIMECSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)CO1 ZINC000650877592 453077243 /nfs/dbraw/zinc/07/72/43/453077243.db2.gz ZWLUDFUMMYLSJL-ZMSDIMECSA-N 2 2 338.496 1.364 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])COC(C)C)CC2)cc1 ZINC000662366635 453077893 /nfs/dbraw/zinc/07/78/93/453077893.db2.gz QENSWDGAOBXDFG-SFHVURJKSA-N 2 2 349.475 1.482 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])COC(C)C)CC2)cc1 ZINC000662366635 453077901 /nfs/dbraw/zinc/07/79/01/453077901.db2.gz QENSWDGAOBXDFG-SFHVURJKSA-N 2 2 349.475 1.482 20 0 EDADLP COCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000654968197 453087713 /nfs/dbraw/zinc/08/77/13/453087713.db2.gz XXERALPPZJXXSM-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP COCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000654968197 453087721 /nfs/dbraw/zinc/08/77/21/453087721.db2.gz XXERALPPZJXXSM-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)C1 ZINC000646077241 453090135 /nfs/dbraw/zinc/09/01/35/453090135.db2.gz OUJJRGKURHNLKX-OAHLLOKOSA-N 2 2 327.423 1.360 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)C1 ZINC000646077241 453090143 /nfs/dbraw/zinc/09/01/43/453090143.db2.gz OUJJRGKURHNLKX-OAHLLOKOSA-N 2 2 327.423 1.360 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000666741914 453109128 /nfs/dbraw/zinc/10/91/28/453109128.db2.gz NUWWUIKXBRKMSY-UHFFFAOYSA-N 2 2 348.373 1.500 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000666741914 453109132 /nfs/dbraw/zinc/10/91/32/453109132.db2.gz NUWWUIKXBRKMSY-UHFFFAOYSA-N 2 2 348.373 1.500 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnnn1-c1ccccc1)CCO2 ZINC000646106593 453110409 /nfs/dbraw/zinc/11/04/09/453110409.db2.gz CAZJNHVOWUVDHE-UHFFFAOYSA-N 2 2 327.432 1.564 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnnn1-c1ccccc1)CCO2 ZINC000646106593 453110412 /nfs/dbraw/zinc/11/04/12/453110412.db2.gz CAZJNHVOWUVDHE-UHFFFAOYSA-N 2 2 327.432 1.564 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656382249 453152261 /nfs/dbraw/zinc/15/22/61/453152261.db2.gz NTBHWCXOCIIPHU-NRSFXHEJSA-N 2 2 334.508 1.985 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656382249 453152270 /nfs/dbraw/zinc/15/22/70/453152270.db2.gz NTBHWCXOCIIPHU-NRSFXHEJSA-N 2 2 334.508 1.985 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000652991472 453178365 /nfs/dbraw/zinc/17/83/65/453178365.db2.gz DHEUESKADXTUDR-UHFFFAOYSA-N 2 2 346.475 1.472 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000648720043 453208818 /nfs/dbraw/zinc/20/88/18/453208818.db2.gz XSMBURKYELJGFV-BPQIPLTHSA-N 2 2 331.460 1.344 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000648720043 453208828 /nfs/dbraw/zinc/20/88/28/453208828.db2.gz XSMBURKYELJGFV-BPQIPLTHSA-N 2 2 331.460 1.344 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000648720043 453208835 /nfs/dbraw/zinc/20/88/35/453208835.db2.gz XSMBURKYELJGFV-BPQIPLTHSA-N 2 2 331.460 1.344 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000648720043 453208841 /nfs/dbraw/zinc/20/88/41/453208841.db2.gz XSMBURKYELJGFV-BPQIPLTHSA-N 2 2 331.460 1.344 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)C(F)(F)F ZINC000655104319 453223640 /nfs/dbraw/zinc/22/36/40/453223640.db2.gz CZKIUVQRYOOUFE-QJPTWQEYSA-N 2 2 330.354 1.619 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)C(F)(F)F ZINC000655104319 453223648 /nfs/dbraw/zinc/22/36/48/453223648.db2.gz CZKIUVQRYOOUFE-QJPTWQEYSA-N 2 2 330.354 1.619 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000653061932 453238893 /nfs/dbraw/zinc/23/88/93/453238893.db2.gz GKTIXYGHMPSYMN-KRWDZBQOSA-N 2 2 346.475 1.208 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cn21 ZINC000646234891 453244604 /nfs/dbraw/zinc/24/46/04/453244604.db2.gz UIRIYDTUPAWNID-ZBFHGGJFSA-N 2 2 327.432 1.579 20 0 EDADLP C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653073552 453250755 /nfs/dbraw/zinc/25/07/55/453250755.db2.gz DSGICAROWFDEEX-SMDDNHRTSA-N 2 2 342.281 1.775 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000648773868 453252871 /nfs/dbraw/zinc/25/28/71/453252871.db2.gz BOOLNKRPZKHJSA-PMPSAXMXSA-N 2 2 334.464 1.454 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000662529815 453253466 /nfs/dbraw/zinc/25/34/66/453253466.db2.gz HFLMFZJWKMJEDC-HNNXBMFYSA-N 2 2 337.468 1.165 20 0 EDADLP Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653076028 453254439 /nfs/dbraw/zinc/25/44/39/453254439.db2.gz GKDLOJGDZZEMAV-KRWDZBQOSA-N 2 2 331.460 1.695 20 0 EDADLP COc1ccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC(F)F ZINC000653084665 453266280 /nfs/dbraw/zinc/26/62/80/453266280.db2.gz NRHQFGXWMWQXBV-LBPRGKRZSA-N 2 2 345.390 1.234 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000653093212 453276287 /nfs/dbraw/zinc/27/62/87/453276287.db2.gz ZKEFODIBKYSGFM-LBPRGKRZSA-N 2 2 337.811 1.285 20 0 EDADLP C[C@@H](CCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCCC1 ZINC000664643573 453279172 /nfs/dbraw/zinc/27/91/72/453279172.db2.gz ORTIISPEUGUVOE-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](CCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCCC1 ZINC000664643573 453279181 /nfs/dbraw/zinc/27/91/81/453279181.db2.gz ORTIISPEUGUVOE-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H](N)CC[NH+](C)C)n2)C1 ZINC000653105926 453287389 /nfs/dbraw/zinc/28/73/89/453287389.db2.gz NMNTYDSXROAOJI-GXTWGEPZSA-N 2 2 339.509 1.593 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H](N)CC[NH+](C)C)n2)C1 ZINC000653105926 453287400 /nfs/dbraw/zinc/28/74/00/453287400.db2.gz NMNTYDSXROAOJI-GXTWGEPZSA-N 2 2 339.509 1.593 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)s1 ZINC000653116812 453304963 /nfs/dbraw/zinc/30/49/63/453304963.db2.gz UXHKLVQHDAAAKX-INIZCTEOSA-N 2 2 338.521 1.234 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000648845019 453326064 /nfs/dbraw/zinc/32/60/64/453326064.db2.gz LKGUOQPHDRYBCD-NVXWUHKLSA-N 2 2 325.497 1.676 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000648845019 453326068 /nfs/dbraw/zinc/32/60/68/453326068.db2.gz LKGUOQPHDRYBCD-NVXWUHKLSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660464521 453327072 /nfs/dbraw/zinc/32/70/72/453327072.db2.gz BJSDKLHVCKFEHH-IXDOHACOSA-N 2 2 328.460 1.959 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000653155352 453344454 /nfs/dbraw/zinc/34/44/54/453344454.db2.gz QEXYKMNESYQUQN-OCCSQVGLSA-N 2 2 325.840 1.599 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000653155971 453347571 /nfs/dbraw/zinc/34/75/71/453347571.db2.gz NBUFYGWTQVGGMD-OAHLLOKOSA-N 2 2 342.447 1.033 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000651208575 453363827 /nfs/dbraw/zinc/36/38/27/453363827.db2.gz CINQMTKKZXLPSE-HNNXBMFYSA-N 2 2 341.459 1.512 20 0 EDADLP CC(C)(CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000662663406 453377188 /nfs/dbraw/zinc/37/71/88/453377188.db2.gz ZYFBMFHKBJAPSD-CQSZACIVSA-N 2 2 327.375 1.192 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662673461 453389119 /nfs/dbraw/zinc/38/91/19/453389119.db2.gz LIZUDPQVCOITST-HNNXBMFYSA-N 2 2 342.365 1.840 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)c[nH+]2)C[C@@H](C)O1 ZINC000662674345 453390998 /nfs/dbraw/zinc/39/09/98/453390998.db2.gz BMVVTHNZRKMZED-CPUCHLNUSA-N 2 2 346.475 1.700 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)C1([NH2+]C2CC2)CCC1 ZINC000662682150 453402980 /nfs/dbraw/zinc/40/29/80/453402980.db2.gz GVNOVSFDPJKXIF-SFHVURJKSA-N 2 2 343.471 1.851 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc2ncccc2c1 ZINC000664787768 453406185 /nfs/dbraw/zinc/40/61/85/453406185.db2.gz SUVUIUABXSPQOU-UHFFFAOYSA-N 2 2 343.475 1.918 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc2ncccc2c1 ZINC000664787768 453406195 /nfs/dbraw/zinc/40/61/95/453406195.db2.gz SUVUIUABXSPQOU-UHFFFAOYSA-N 2 2 343.475 1.918 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296261 453416167 /nfs/dbraw/zinc/41/61/67/453416167.db2.gz XDXKYDLFHYBXCX-LSDHHAIUSA-N 2 2 328.416 1.012 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296261 453416172 /nfs/dbraw/zinc/41/61/72/453416172.db2.gz XDXKYDLFHYBXCX-LSDHHAIUSA-N 2 2 328.416 1.012 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1ccc[nH+]c1N1CCCC1)C1CC1 ZINC000660586078 453426775 /nfs/dbraw/zinc/42/67/75/453426775.db2.gz COQSNLKGIYORPI-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1ccc[nH+]c1N1CCCC1)C1CC1 ZINC000660586078 453426782 /nfs/dbraw/zinc/42/67/82/453426782.db2.gz COQSNLKGIYORPI-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662705014 453428562 /nfs/dbraw/zinc/42/85/62/453428562.db2.gz NADCMKMFXXLXIM-IBGZPJMESA-N 2 2 343.471 1.792 20 0 EDADLP CCOc1ncc(C)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000667162316 453446189 /nfs/dbraw/zinc/44/61/89/453446189.db2.gz IRGOMHVZKGMSCD-UHFFFAOYSA-N 2 2 337.468 1.794 20 0 EDADLP CCOc1ncc(C)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000667162316 453446193 /nfs/dbraw/zinc/44/61/93/453446193.db2.gz IRGOMHVZKGMSCD-UHFFFAOYSA-N 2 2 337.468 1.794 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000656790385 453448364 /nfs/dbraw/zinc/44/83/64/453448364.db2.gz ZMWXYQCGZOHDPY-ZTFGCOKTSA-N 3 2 348.466 1.058 20 0 EDADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cc[nH+]c1 ZINC000651315896 453462427 /nfs/dbraw/zinc/46/24/27/453462427.db2.gz FEJDENFSRCQMTE-DOTOQJQBSA-N 3 2 333.480 1.461 20 0 EDADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cc[nH+]c1 ZINC000651315896 453462434 /nfs/dbraw/zinc/46/24/34/453462434.db2.gz FEJDENFSRCQMTE-DOTOQJQBSA-N 3 2 333.480 1.461 20 0 EDADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1ccnc1 ZINC000651315896 453462443 /nfs/dbraw/zinc/46/24/43/453462443.db2.gz FEJDENFSRCQMTE-DOTOQJQBSA-N 2 2 333.480 1.461 20 0 EDADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1ccnc1 ZINC000651315896 453462449 /nfs/dbraw/zinc/46/24/49/453462449.db2.gz FEJDENFSRCQMTE-DOTOQJQBSA-N 2 2 333.480 1.461 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664919495 453484385 /nfs/dbraw/zinc/48/43/85/453484385.db2.gz GOFNANUGKRVRPJ-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000664919495 453484391 /nfs/dbraw/zinc/48/43/91/453484391.db2.gz GOFNANUGKRVRPJ-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646603982 453507125 /nfs/dbraw/zinc/50/71/25/453507125.db2.gz DSRCFSVSJWIXIC-IRXDYDNUSA-N 2 2 347.459 1.455 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646603982 453507129 /nfs/dbraw/zinc/50/71/29/453507129.db2.gz DSRCFSVSJWIXIC-IRXDYDNUSA-N 2 2 347.459 1.455 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000660677989 453508786 /nfs/dbraw/zinc/50/87/86/453508786.db2.gz PMTNHCNBSXGZOK-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1[nH+]ccn1C ZINC000667254840 453515002 /nfs/dbraw/zinc/51/50/02/453515002.db2.gz BNCCTHKJSWRIAU-HZPDHXFCSA-N 2 2 348.495 1.293 20 0 EDADLP C[C@@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1[nH+]ccn1C ZINC000667254840 453515008 /nfs/dbraw/zinc/51/50/08/453515008.db2.gz BNCCTHKJSWRIAU-HZPDHXFCSA-N 2 2 348.495 1.293 20 0 EDADLP C[C@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000667253938 453515396 /nfs/dbraw/zinc/51/53/96/453515396.db2.gz MGXFWXSYYIGXKN-GJZGRUSLSA-N 2 2 335.452 1.377 20 0 EDADLP C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1[nH+]ccn1C ZINC000658919493 453535533 /nfs/dbraw/zinc/53/55/33/453535533.db2.gz QLFKKTYMRLUTCB-LBPRGKRZSA-N 2 2 329.404 1.298 20 0 EDADLP CC(C)n1cc(C2=CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)CC2)nn1 ZINC000660721234 453547449 /nfs/dbraw/zinc/54/74/49/453547449.db2.gz WKHUNIPRYWIYBO-QGZVFWFLSA-N 2 2 333.480 1.793 20 0 EDADLP CC(C)n1cc(C2=CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)CC2)nn1 ZINC000660721234 453547451 /nfs/dbraw/zinc/54/74/51/453547451.db2.gz WKHUNIPRYWIYBO-QGZVFWFLSA-N 2 2 333.480 1.793 20 0 EDADLP CC(C)n1cc(C2=CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)nn1 ZINC000660721234 453547453 /nfs/dbraw/zinc/54/74/53/453547453.db2.gz WKHUNIPRYWIYBO-QGZVFWFLSA-N 2 2 333.480 1.793 20 0 EDADLP CC(C)n1cc(C2=CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)nn1 ZINC000660721234 453547455 /nfs/dbraw/zinc/54/74/55/453547455.db2.gz WKHUNIPRYWIYBO-QGZVFWFLSA-N 2 2 333.480 1.793 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000662909407 453598694 /nfs/dbraw/zinc/59/86/94/453598694.db2.gz FBBVCHDSIKVEBY-SFHVURJKSA-N 2 2 331.460 1.566 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000665217761 453611577 /nfs/dbraw/zinc/61/15/77/453611577.db2.gz VGKSFIAMIBHWTD-HOTGVXAUSA-N 2 2 328.501 1.373 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000665217761 453611581 /nfs/dbraw/zinc/61/15/81/453611581.db2.gz VGKSFIAMIBHWTD-HOTGVXAUSA-N 2 2 328.501 1.373 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000665240001 453619981 /nfs/dbraw/zinc/61/99/81/453619981.db2.gz AFAZMCOLJQBYBE-AQNXPRMDSA-N 3 2 345.487 1.110 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000665240001 453619984 /nfs/dbraw/zinc/61/99/84/453619984.db2.gz AFAZMCOLJQBYBE-AQNXPRMDSA-N 3 2 345.487 1.110 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259328 453628532 /nfs/dbraw/zinc/62/85/32/453628532.db2.gz BPJFTZYZZNRHLF-ZMSDIMECSA-N 2 2 347.438 1.940 20 0 EDADLP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291655 453638381 /nfs/dbraw/zinc/63/83/81/453638381.db2.gz HGKJMQLJQNBVBW-XJKSGUPXSA-N 2 2 327.432 1.251 20 0 EDADLP C[C@@]1(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC[NH2+]C1 ZINC000663009243 453645961 /nfs/dbraw/zinc/64/59/61/453645961.db2.gz BYRXZCJKPHQMGK-GOSISDBHSA-N 2 2 341.415 1.394 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000659255079 453686507 /nfs/dbraw/zinc/68/65/07/453686507.db2.gz FJUJDLKHNHEIOI-HOTGVXAUSA-N 2 2 347.463 1.036 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661094328 453712096 /nfs/dbraw/zinc/71/20/96/453712096.db2.gz CUUZZHRYVKAPRR-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657369783 453776244 /nfs/dbraw/zinc/77/62/44/453776244.db2.gz FLXLKLSJFSUXRA-HKUYNNGSSA-N 2 2 340.471 1.802 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363825 453780273 /nfs/dbraw/zinc/78/02/73/453780273.db2.gz NCOBTNWPMVFEAQ-WOJBJXKFSA-N 3 2 347.503 1.322 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363825 453780276 /nfs/dbraw/zinc/78/02/76/453780276.db2.gz NCOBTNWPMVFEAQ-WOJBJXKFSA-N 3 2 347.503 1.322 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000665689186 453789333 /nfs/dbraw/zinc/78/93/33/453789333.db2.gz YLNBVPIBHSWEKI-HUUCEWRRSA-N 2 2 333.480 1.970 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000665689186 453789336 /nfs/dbraw/zinc/78/93/36/453789336.db2.gz YLNBVPIBHSWEKI-HUUCEWRRSA-N 2 2 333.480 1.970 20 0 EDADLP CCOc1cc(C[NH2+][C@@H](C)C[NH2+]C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000663511065 453813082 /nfs/dbraw/zinc/81/30/82/453813082.db2.gz VCKYWWUAEOCFLT-KBPBESRZSA-N 2 2 337.464 1.638 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663542336 453819180 /nfs/dbraw/zinc/81/91/80/453819180.db2.gz HONYTWYRACOLMZ-CQSZACIVSA-N 2 2 345.447 1.226 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413131335 486697300 /nfs/dbraw/zinc/69/73/00/486697300.db2.gz HWOQAGMEYOUJOD-UHFFFAOYSA-N 2 2 332.452 1.406 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413131335 486697302 /nfs/dbraw/zinc/69/73/02/486697302.db2.gz HWOQAGMEYOUJOD-UHFFFAOYSA-N 2 2 332.452 1.406 20 0 EDADLP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000680258318 486732469 /nfs/dbraw/zinc/73/24/69/486732469.db2.gz NCNXLNKUTKJLCP-KRWDZBQOSA-N 2 2 340.427 1.987 20 0 EDADLP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000680258318 486732474 /nfs/dbraw/zinc/73/24/74/486732474.db2.gz NCNXLNKUTKJLCP-KRWDZBQOSA-N 2 2 340.427 1.987 20 0 EDADLP COCCNC(=O)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667494364 486809237 /nfs/dbraw/zinc/80/92/37/486809237.db2.gz XECCAKMGBWYSFE-UHFFFAOYSA-N 2 2 343.431 1.242 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667574244 486853072 /nfs/dbraw/zinc/85/30/72/486853072.db2.gz CXNWMMIONSUMGJ-AWEZNQCLSA-N 2 2 342.443 1.771 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667574244 486853076 /nfs/dbraw/zinc/85/30/76/486853076.db2.gz CXNWMMIONSUMGJ-AWEZNQCLSA-N 2 2 342.443 1.771 20 0 EDADLP COC1CC[NH+](CCNC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000673082387 486903277 /nfs/dbraw/zinc/90/32/77/486903277.db2.gz GRLVIBPQTNXRSQ-UHFFFAOYSA-N 2 2 335.452 1.129 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ncccc3F)C2)CC1 ZINC000676925153 486931030 /nfs/dbraw/zinc/93/10/30/486931030.db2.gz UWUXQFHHAHORGC-CYBMUJFWSA-N 2 2 335.427 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ncccc3F)C2)CC1 ZINC000676925153 486931038 /nfs/dbraw/zinc/93/10/38/486931038.db2.gz UWUXQFHHAHORGC-CYBMUJFWSA-N 2 2 335.427 1.188 20 0 EDADLP O=C(CC[NH2+][C@H]1CO[C@@H](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000667821174 486982663 /nfs/dbraw/zinc/98/26/63/486982663.db2.gz WTAMCRUTYVLOQF-IAGOWNOFSA-N 2 2 344.459 1.277 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nc4c(s3)CCC4)C2)CC1 ZINC000667954402 487030529 /nfs/dbraw/zinc/03/05/29/487030529.db2.gz BKFMIURFDILJSZ-LBPRGKRZSA-N 2 2 334.489 1.530 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)CC1 ZINC000667983460 487046754 /nfs/dbraw/zinc/04/67/54/487046754.db2.gz NVVFFQNHJXKYJV-UHFFFAOYSA-N 3 2 331.508 1.679 20 0 EDADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673529862 487048734 /nfs/dbraw/zinc/04/87/34/487048734.db2.gz BCVXYFSYBJJQPM-MSOLQXFVSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000673529862 487048740 /nfs/dbraw/zinc/04/87/40/487048740.db2.gz BCVXYFSYBJJQPM-MSOLQXFVSA-N 2 2 349.450 1.363 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1)[NH+](C)C ZINC000684478134 487071622 /nfs/dbraw/zinc/07/16/22/487071622.db2.gz ASLSOFFADAOVJH-NSHDSACASA-N 2 2 330.354 1.699 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000684527118 487089588 /nfs/dbraw/zinc/08/95/88/487089588.db2.gz LWIYWCQYNKRTBE-AWEZNQCLSA-N 2 2 341.415 1.198 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CCC[C@H]([NH+](C)C)C3)[nH+]c12 ZINC000673781290 487112407 /nfs/dbraw/zinc/11/24/07/487112407.db2.gz QPYDSAVELRDEBP-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1cc([C@H]2CCCN2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)on1 ZINC000677579395 487124230 /nfs/dbraw/zinc/12/42/30/487124230.db2.gz MKSIJFVGUPERDF-MRXNPFEDSA-N 2 2 349.479 1.856 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)Nc1ccc3[nH+]ccn3c1)n2C ZINC000673839313 487128196 /nfs/dbraw/zinc/12/81/96/487128196.db2.gz YUDFTVGLUMFAPN-UHFFFAOYSA-N 2 2 335.371 1.934 20 0 EDADLP CCOC[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681801052 487172094 /nfs/dbraw/zinc/17/20/94/487172094.db2.gz QTYDKORBNWXDLA-HOCLYGCPSA-N 2 2 326.485 1.221 20 0 EDADLP CCOC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681801052 487172100 /nfs/dbraw/zinc/17/21/00/487172100.db2.gz QTYDKORBNWXDLA-HOCLYGCPSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)[nH+]1 ZINC000678069852 487239510 /nfs/dbraw/zinc/23/95/10/487239510.db2.gz UKZHUHMMRFJVAE-AWEZNQCLSA-N 2 2 328.420 1.185 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)[nH+]1 ZINC000678069852 487239512 /nfs/dbraw/zinc/23/95/12/487239512.db2.gz UKZHUHMMRFJVAE-AWEZNQCLSA-N 2 2 328.420 1.185 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000685325252 487260802 /nfs/dbraw/zinc/26/08/02/487260802.db2.gz NSMSRLPFBWMROK-SNVBAGLBSA-N 2 2 328.825 1.362 20 0 EDADLP COC1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681993696 487275193 /nfs/dbraw/zinc/27/51/93/487275193.db2.gz UDGXTNHMONVKIH-IIIMJFFVSA-N 2 2 337.508 1.819 20 0 EDADLP COC1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000681993696 487275196 /nfs/dbraw/zinc/27/51/96/487275196.db2.gz UDGXTNHMONVKIH-IIIMJFFVSA-N 2 2 337.508 1.819 20 0 EDADLP C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000674496031 487268169 /nfs/dbraw/zinc/26/81/69/487268169.db2.gz MUSWRYNERZDZES-UHFFFAOYSA-N 2 2 334.445 1.340 20 0 EDADLP C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000674496031 487268172 /nfs/dbraw/zinc/26/81/72/487268172.db2.gz MUSWRYNERZDZES-UHFFFAOYSA-N 2 2 334.445 1.340 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000685734455 487316005 /nfs/dbraw/zinc/31/60/05/487316005.db2.gz YVXIWPCKHUPACV-HOTGVXAUSA-N 3 2 345.491 1.039 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000685734455 487316009 /nfs/dbraw/zinc/31/60/09/487316009.db2.gz YVXIWPCKHUPACV-HOTGVXAUSA-N 3 2 345.491 1.039 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000678521705 487326108 /nfs/dbraw/zinc/32/61/08/487326108.db2.gz KJOLOBKGVMAECD-IBGZPJMESA-N 2 2 342.418 1.674 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000685846505 487332920 /nfs/dbraw/zinc/33/29/20/487332920.db2.gz GGNSLNMVIJSLCI-SFHVURJKSA-N 2 2 332.444 1.807 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@H](C(=O)C3CC3)C2)cc1 ZINC000685846505 487332922 /nfs/dbraw/zinc/33/29/22/487332922.db2.gz GGNSLNMVIJSLCI-SFHVURJKSA-N 2 2 332.444 1.807 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000674877461 487344560 /nfs/dbraw/zinc/34/45/60/487344560.db2.gz SOOJHSLIDCZLNO-GJZGRUSLSA-N 2 2 337.489 1.481 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678666021 487349072 /nfs/dbraw/zinc/34/90/72/487349072.db2.gz YCQHBRHILNDCIY-OCCSQVGLSA-N 2 2 327.388 1.016 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678666021 487349076 /nfs/dbraw/zinc/34/90/76/487349076.db2.gz YCQHBRHILNDCIY-OCCSQVGLSA-N 2 2 327.388 1.016 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000678989010 487385143 /nfs/dbraw/zinc/38/51/43/487385143.db2.gz DLMLTYAHBGEDHI-OAHLLOKOSA-N 3 2 327.432 1.297 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000678989010 487385145 /nfs/dbraw/zinc/38/51/45/487385145.db2.gz DLMLTYAHBGEDHI-OAHLLOKOSA-N 2 2 327.432 1.297 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000675186734 487386033 /nfs/dbraw/zinc/38/60/33/487386033.db2.gz QNHUJEXXPWFDAP-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000675186734 487386035 /nfs/dbraw/zinc/38/60/35/487386035.db2.gz QNHUJEXXPWFDAP-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000679063174 487389946 /nfs/dbraw/zinc/38/99/46/487389946.db2.gz DVYOERZIVCYKDA-DYVFJYSZSA-N 2 2 331.464 1.378 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000675567810 487423552 /nfs/dbraw/zinc/42/35/52/487423552.db2.gz PHFDHCZOQBIRHK-UHFFFAOYSA-N 2 2 333.480 1.279 20 0 EDADLP CN1C(=O)NCC12CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000668251285 485513458 /nfs/dbraw/zinc/51/34/58/485513458.db2.gz UODVVUUVIKVTCO-UHFFFAOYSA-N 2 2 326.404 1.257 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985612 485608796 /nfs/dbraw/zinc/60/87/96/485608796.db2.gz FRGDSSNTYXUQSZ-IBGZPJMESA-N 2 2 345.487 1.798 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985612 485608802 /nfs/dbraw/zinc/60/88/02/485608802.db2.gz FRGDSSNTYXUQSZ-IBGZPJMESA-N 2 2 345.487 1.798 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986470 485610849 /nfs/dbraw/zinc/61/08/49/485610849.db2.gz UMFQCCNEAKWJMI-MSOLQXFVSA-N 2 2 337.508 1.964 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986470 485610857 /nfs/dbraw/zinc/61/08/57/485610857.db2.gz UMFQCCNEAKWJMI-MSOLQXFVSA-N 2 2 337.508 1.964 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000669725510 485674086 /nfs/dbraw/zinc/67/40/86/485674086.db2.gz PXFDPISCONWNPW-QGZVFWFLSA-N 2 2 332.448 1.057 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)CC1 ZINC000246370905 485686516 /nfs/dbraw/zinc/68/65/16/485686516.db2.gz HJPVLPWXSTWJDU-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)CC1 ZINC000246370905 485686527 /nfs/dbraw/zinc/68/65/27/485686527.db2.gz HJPVLPWXSTWJDU-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc(OC)c1 ZINC000237302393 485974632 /nfs/dbraw/zinc/97/46/32/485974632.db2.gz HCBVDGFKTRHHIY-MSOLQXFVSA-N 2 2 347.459 1.475 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ncoc3-c3ccon3)C2)CC1 ZINC000668638697 485980610 /nfs/dbraw/zinc/98/06/10/485980610.db2.gz ARJIQWSGTLSKNT-LBPRGKRZSA-N 2 2 345.403 1.228 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ncoc3-c3ccon3)C2)CC1 ZINC000668638697 485980616 /nfs/dbraw/zinc/98/06/16/485980616.db2.gz ARJIQWSGTLSKNT-LBPRGKRZSA-N 2 2 345.403 1.228 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237443190 485984400 /nfs/dbraw/zinc/98/44/00/485984400.db2.gz RMMDCLIAMSFSJO-NVXWUHKLSA-N 2 2 348.466 1.595 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[NH2+]C2CC2)[NH+]2CCOCC2)cc1 ZINC000669399231 486061439 /nfs/dbraw/zinc/06/14/39/486061439.db2.gz NIEVTRKFPRNNDT-GOSISDBHSA-N 2 2 346.475 1.420 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)[C@H](C[NH3+])C1 ZINC000669406355 486079890 /nfs/dbraw/zinc/07/98/90/486079890.db2.gz WMCIHNRFHHYJDE-UKRRQHHQSA-N 2 2 336.411 1.324 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)[C@H](C[NH3+])C1 ZINC000669406355 486079898 /nfs/dbraw/zinc/07/98/98/486079898.db2.gz WMCIHNRFHHYJDE-UKRRQHHQSA-N 2 2 336.411 1.324 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CCOC4(CC[NH+](C)CC4)C3)cc2[nH+]1 ZINC000668167535 486184775 /nfs/dbraw/zinc/18/47/75/486184775.db2.gz CQILTHPUUVUWED-UHFFFAOYSA-N 2 2 343.431 1.971 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000668793030 486202994 /nfs/dbraw/zinc/20/29/94/486202994.db2.gz QGWXVVJDVHCKAE-UHFFFAOYSA-N 2 2 337.431 1.382 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC000668819012 486226834 /nfs/dbraw/zinc/22/68/34/486226834.db2.gz MLALUKCAWIAWFQ-VQHPVUNQSA-N 2 2 348.491 1.777 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC000668819012 486226838 /nfs/dbraw/zinc/22/68/38/486226838.db2.gz MLALUKCAWIAWFQ-VQHPVUNQSA-N 2 2 348.491 1.777 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000669475965 486234519 /nfs/dbraw/zinc/23/45/19/486234519.db2.gz BSEAAEZSQNHQQW-JQHSSLGASA-N 2 2 346.475 1.061 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000669491416 486263948 /nfs/dbraw/zinc/26/39/48/486263948.db2.gz YCWXAMVXJWLOTM-OLZOCXBDSA-N 2 2 330.423 1.547 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000669491416 486263950 /nfs/dbraw/zinc/26/39/50/486263950.db2.gz YCWXAMVXJWLOTM-OLZOCXBDSA-N 2 2 330.423 1.547 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000275816512 486556168 /nfs/dbraw/zinc/55/61/68/486556168.db2.gz VOKFOLQVYCIWHI-OIISXLGYSA-N 2 2 348.466 1.722 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606411984 491191046 /nfs/dbraw/zinc/19/10/46/491191046.db2.gz ZBNUOIKVOQCXEK-UHFFFAOYSA-N 2 2 340.431 1.753 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606411984 491191050 /nfs/dbraw/zinc/19/10/50/491191050.db2.gz ZBNUOIKVOQCXEK-UHFFFAOYSA-N 2 2 340.431 1.753 20 0 EDADLP C[C@H]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000131206231 491212339 /nfs/dbraw/zinc/21/23/39/491212339.db2.gz SIFNXGUBPKLVDE-GOEBONIOSA-N 2 2 345.451 1.756 20 0 EDADLP CN(C(=O)[C@@H]1CC12CCOCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674092391 490995940 /nfs/dbraw/zinc/99/59/40/490995940.db2.gz LSEDELKAZCSNJV-IRXDYDNUSA-N 2 2 335.492 1.430 20 0 EDADLP CN(C(=O)[C@@H]1CC12CCOCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674092391 490995941 /nfs/dbraw/zinc/99/59/41/490995941.db2.gz LSEDELKAZCSNJV-IRXDYDNUSA-N 2 2 335.492 1.430 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000129050643 491017928 /nfs/dbraw/zinc/01/79/28/491017928.db2.gz NCAGOTLDXABIDM-UHFFFAOYSA-N 2 2 329.366 1.911 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000129050643 491017929 /nfs/dbraw/zinc/01/79/29/491017929.db2.gz NCAGOTLDXABIDM-UHFFFAOYSA-N 2 2 329.366 1.911 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000236824210 535046512 /nfs/dbraw/zinc/04/65/12/535046512.db2.gz MTFIYCLLOXSHGI-SFHVURJKSA-N 2 2 349.475 1.531 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C(C)C ZINC000073440905 535066910 /nfs/dbraw/zinc/06/69/10/535066910.db2.gz RVPSCCGQDWQGAN-QGZVFWFLSA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000332634958 535152780 /nfs/dbraw/zinc/15/27/80/535152780.db2.gz XVKDTEZAOOBPHR-UHFFFAOYSA-N 2 2 338.496 1.950 20 0 EDADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000332634958 535152786 /nfs/dbraw/zinc/15/27/86/535152786.db2.gz XVKDTEZAOOBPHR-UHFFFAOYSA-N 2 2 338.496 1.950 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000339596788 535184236 /nfs/dbraw/zinc/18/42/36/535184236.db2.gz PNXDBZSYVGQYEE-IYBDPMFKSA-N 2 2 340.512 1.610 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000339596788 535184240 /nfs/dbraw/zinc/18/42/40/535184240.db2.gz PNXDBZSYVGQYEE-IYBDPMFKSA-N 2 2 340.512 1.610 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000063702295 535494017 /nfs/dbraw/zinc/49/40/17/535494017.db2.gz WWTMRFIOUJFOIS-KRWDZBQOSA-N 2 2 330.432 1.976 20 0 EDADLP CC[NH+](CC)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000047578321 535536242 /nfs/dbraw/zinc/53/62/42/535536242.db2.gz KQBQMFCPOGXYCQ-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000340046217 535563897 /nfs/dbraw/zinc/56/38/97/535563897.db2.gz SKGANQKDSOZXMJ-ZDUSSCGKSA-N 2 2 333.523 1.612 20 0 EDADLP CC[N@H+](C)CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000249829568 535750621 /nfs/dbraw/zinc/75/06/21/535750621.db2.gz SIIJESPAOHVKBD-AWEZNQCLSA-N 2 2 335.452 1.058 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000249829568 535750626 /nfs/dbraw/zinc/75/06/26/535750626.db2.gz SIIJESPAOHVKBD-AWEZNQCLSA-N 2 2 335.452 1.058 20 0 EDADLP CC[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCO1 ZINC000353115578 535899746 /nfs/dbraw/zinc/89/97/46/535899746.db2.gz YJHMNQRJVUFQFT-AJYUKVHDSA-N 2 2 337.508 1.865 20 0 EDADLP CC[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCO1 ZINC000353115578 535899754 /nfs/dbraw/zinc/89/97/54/535899754.db2.gz YJHMNQRJVUFQFT-AJYUKVHDSA-N 2 2 337.508 1.865 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000237069954 536340344 /nfs/dbraw/zinc/34/03/44/536340344.db2.gz DXFMTNPBGSRDIC-MNEFBYGVSA-N 3 2 348.535 1.582 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000333661363 536456362 /nfs/dbraw/zinc/45/63/62/536456362.db2.gz XBHVBLYXXLXMJM-MAZHCROVSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000333661363 536456364 /nfs/dbraw/zinc/45/63/64/536456364.db2.gz XBHVBLYXXLXMJM-MAZHCROVSA-N 2 2 338.402 1.761 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000262957743 536574547 /nfs/dbraw/zinc/57/45/47/536574547.db2.gz WFBGJCKAXKEDJN-DZKIICNBSA-N 2 2 335.448 1.598 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000263278482 536658056 /nfs/dbraw/zinc/65/80/56/536658056.db2.gz ZGSYQXNTKQTRNV-GOSISDBHSA-N 2 2 327.428 1.458 20 0 EDADLP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C)o1 ZINC000125337021 536814867 /nfs/dbraw/zinc/81/48/67/536814867.db2.gz BSNJAUHSJLTWAV-UHFFFAOYSA-N 2 2 349.475 1.779 20 0 EDADLP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C)o1 ZINC000125337021 536814873 /nfs/dbraw/zinc/81/48/73/536814873.db2.gz BSNJAUHSJLTWAV-UHFFFAOYSA-N 2 2 349.475 1.779 20 0 EDADLP CS(=O)(=O)CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000269866407 536919828 /nfs/dbraw/zinc/91/98/28/536919828.db2.gz SNSXAEAUWLUOAT-UHFFFAOYSA-N 2 2 332.389 1.057 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCS(N)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000740878484 579388097 /nfs/dbraw/zinc/38/80/97/579388097.db2.gz ILEGMORSHLFNND-HOCLYGCPSA-N 2 2 325.478 1.260 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCS(N)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000740878484 579388098 /nfs/dbraw/zinc/38/80/98/579388098.db2.gz ILEGMORSHLFNND-HOCLYGCPSA-N 2 2 325.478 1.260 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CCS(N)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000740878484 579388099 /nfs/dbraw/zinc/38/80/99/579388099.db2.gz ILEGMORSHLFNND-HOCLYGCPSA-N 2 2 325.478 1.260 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CCS(N)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000740878484 579388101 /nfs/dbraw/zinc/38/81/01/579388101.db2.gz ILEGMORSHLFNND-HOCLYGCPSA-N 2 2 325.478 1.260 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000726071813 578332175 /nfs/dbraw/zinc/33/21/75/578332175.db2.gz ORRXVNKDGPXFLW-HOTGVXAUSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000726071813 578332176 /nfs/dbraw/zinc/33/21/76/578332176.db2.gz ORRXVNKDGPXFLW-HOTGVXAUSA-N 2 2 341.496 1.822 20 0 EDADLP COCCCn1cnn(C[NH+]2CCC(C[NH+](C)C)CC2)c1=S ZINC000738076229 578523609 /nfs/dbraw/zinc/52/36/09/578523609.db2.gz KKOHAEGAAAIQJJ-UHFFFAOYSA-N 2 2 327.498 1.682 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@H](O)c2ccccc2)nc[nH+]1 ZINC000729920194 578599334 /nfs/dbraw/zinc/59/93/34/578599334.db2.gz KNMJGYQEKLUVFN-CVEARBPZSA-N 2 2 327.432 1.810 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC1CCC2(CC1)OCCO2 ZINC000729921088 578599832 /nfs/dbraw/zinc/59/98/32/578599832.db2.gz WKCPVTVZYVJHJB-INIZCTEOSA-N 2 2 348.447 1.322 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC1CCC2(CC1)OCCO2 ZINC000729921088 578599833 /nfs/dbraw/zinc/59/98/33/578599833.db2.gz WKCPVTVZYVJHJB-INIZCTEOSA-N 2 2 348.447 1.322 20 0 EDADLP CN(C(=O)/C=C/C1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732659988 578722351 /nfs/dbraw/zinc/72/23/51/578722351.db2.gz ANIXBLHVQLRTLI-OAJJDEHYSA-N 2 2 335.492 1.596 20 0 EDADLP CN(C(=O)/C=C/C1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732659988 578722352 /nfs/dbraw/zinc/72/23/52/578722352.db2.gz ANIXBLHVQLRTLI-OAJJDEHYSA-N 2 2 335.492 1.596 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000733646265 578778312 /nfs/dbraw/zinc/77/83/12/578778312.db2.gz LXKKGSYAOCSWPQ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000733646265 578778314 /nfs/dbraw/zinc/77/83/14/578778314.db2.gz LXKKGSYAOCSWPQ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000733646265 578778315 /nfs/dbraw/zinc/77/83/15/578778315.db2.gz LXKKGSYAOCSWPQ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000733646265 578778317 /nfs/dbraw/zinc/77/83/17/578778317.db2.gz LXKKGSYAOCSWPQ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP O=C1CCCN1CCC[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000733896977 578789270 /nfs/dbraw/zinc/78/92/70/578789270.db2.gz FZWXRZXMXIMWEL-HXUWFJFHSA-N 2 2 345.487 1.616 20 0 EDADLP O=C1CCCN1CCC[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000733896977 578789271 /nfs/dbraw/zinc/78/92/71/578789271.db2.gz FZWXRZXMXIMWEL-HXUWFJFHSA-N 2 2 345.487 1.616 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734263918 578805503 /nfs/dbraw/zinc/80/55/03/578805503.db2.gz HUYMVOFGESPFBN-HOCLYGCPSA-N 2 2 335.452 1.214 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000735292166 578874382 /nfs/dbraw/zinc/87/43/82/578874382.db2.gz OGALFGJCFRYHIC-NJAFHUGGSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000735292166 578874383 /nfs/dbraw/zinc/87/43/83/578874383.db2.gz OGALFGJCFRYHIC-NJAFHUGGSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000735292166 578874384 /nfs/dbraw/zinc/87/43/84/578874384.db2.gz OGALFGJCFRYHIC-NJAFHUGGSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000735292166 578874385 /nfs/dbraw/zinc/87/43/85/578874385.db2.gz OGALFGJCFRYHIC-NJAFHUGGSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@@H+]1C ZINC000761076170 580046728 /nfs/dbraw/zinc/04/67/28/580046728.db2.gz HQXNEVOOZPHGLN-OAHLLOKOSA-N 2 2 336.505 1.028 20 0 EDADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[N@H+]1C ZINC000761076170 580046729 /nfs/dbraw/zinc/04/67/29/580046729.db2.gz HQXNEVOOZPHGLN-OAHLLOKOSA-N 2 2 336.505 1.028 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000761079252 580047204 /nfs/dbraw/zinc/04/72/04/580047204.db2.gz QEQFPQDDDVSHTI-SFHVURJKSA-N 2 2 344.503 1.275 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000761079252 580047205 /nfs/dbraw/zinc/04/72/05/580047205.db2.gz QEQFPQDDDVSHTI-SFHVURJKSA-N 2 2 344.503 1.275 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000736230427 578965670 /nfs/dbraw/zinc/96/56/70/578965670.db2.gz ULXKILYXDNMVGQ-WFASDCNBSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC000736230427 578965671 /nfs/dbraw/zinc/96/56/71/578965671.db2.gz ULXKILYXDNMVGQ-WFASDCNBSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC000736230427 578965672 /nfs/dbraw/zinc/96/56/72/578965672.db2.gz ULXKILYXDNMVGQ-WFASDCNBSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC000736230427 578965673 /nfs/dbraw/zinc/96/56/73/578965673.db2.gz ULXKILYXDNMVGQ-WFASDCNBSA-N 2 2 343.435 1.220 20 0 EDADLP CC(C)C[C@@H]1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761305348 580054492 /nfs/dbraw/zinc/05/44/92/580054492.db2.gz TUKSLMVGHOEDKM-JKSUJKDBSA-N 2 2 336.480 1.464 20 0 EDADLP CC(C)C[C@@H]1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761305348 580054493 /nfs/dbraw/zinc/05/44/93/580054493.db2.gz TUKSLMVGHOEDKM-JKSUJKDBSA-N 2 2 336.480 1.464 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)S1 ZINC000744606651 579517157 /nfs/dbraw/zinc/51/71/57/579517157.db2.gz MNRHZJMIGIZDFY-HNNXBMFYSA-N 2 2 338.521 1.888 20 0 EDADLP CC(C)[C@@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000777664682 580447977 /nfs/dbraw/zinc/44/79/77/580447977.db2.gz ZRAHQMZAUYQEKW-HNNXBMFYSA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H](CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000753149790 579873648 /nfs/dbraw/zinc/87/36/48/579873648.db2.gz WSIFHPAZDGGESD-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+]1CCCCC1 ZINC000753149790 579873649 /nfs/dbraw/zinc/87/36/49/579873649.db2.gz WSIFHPAZDGGESD-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H](O)c1cn(C2C[NH+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000753571065 579883029 /nfs/dbraw/zinc/88/30/29/579883029.db2.gz PJHGPLODDKEDJU-NSHDSACASA-N 2 2 330.417 1.636 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](CCC(=O)N3CCCCC3)CC2)S1 ZINC000754648082 579908363 /nfs/dbraw/zinc/90/83/63/579908363.db2.gz CKKPFKOJHZKXCI-UHFFFAOYSA-N 2 2 338.521 1.888 20 0 EDADLP Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)s1 ZINC000754674107 579909195 /nfs/dbraw/zinc/90/91/95/579909195.db2.gz LXTPPCVSQHOYFD-CQSZACIVSA-N 2 2 339.505 1.934 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000754933978 579916456 /nfs/dbraw/zinc/91/64/56/579916456.db2.gz XAHHRSOKWJQOQX-MRXNPFEDSA-N 2 2 345.491 1.013 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000755790547 579935335 /nfs/dbraw/zinc/93/53/35/579935335.db2.gz MWEWYAWDWKTFOK-CABCVRRESA-N 2 2 325.416 1.578 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000755790547 579935336 /nfs/dbraw/zinc/93/53/36/579935336.db2.gz MWEWYAWDWKTFOK-CABCVRRESA-N 2 2 325.416 1.578 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000758236540 579978030 /nfs/dbraw/zinc/97/80/30/579978030.db2.gz CXPDQHZKXDATGT-DHSIGJKJSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000758236540 579978031 /nfs/dbraw/zinc/97/80/31/579978031.db2.gz CXPDQHZKXDATGT-DHSIGJKJSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1=O ZINC000758236540 579978032 /nfs/dbraw/zinc/97/80/32/579978032.db2.gz CXPDQHZKXDATGT-DHSIGJKJSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1=O ZINC000758236540 579978033 /nfs/dbraw/zinc/97/80/33/579978033.db2.gz CXPDQHZKXDATGT-DHSIGJKJSA-N 2 2 334.464 1.471 20 0 EDADLP C[C@H]1CC[N@H+](CN2C(=O)c3cccc(N)c3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000759158603 579999818 /nfs/dbraw/zinc/99/98/18/579999818.db2.gz MOYDSQYRCUUCPL-SWLSCSKDSA-N 2 2 339.399 1.602 20 0 EDADLP C[C@H]1CC[N@@H+](CN2C(=O)c3cccc(N)c3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000759158603 579999819 /nfs/dbraw/zinc/99/98/19/579999819.db2.gz MOYDSQYRCUUCPL-SWLSCSKDSA-N 2 2 339.399 1.602 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3C[C@@H](C4CC4)CC3=O)CC2)CC1 ZINC000762498674 580076087 /nfs/dbraw/zinc/07/60/87/580076087.db2.gz AOXWEWFWGWFLAF-SFHVURJKSA-N 2 2 348.535 1.693 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000767759626 580198738 /nfs/dbraw/zinc/19/87/38/580198738.db2.gz QHGPRNOQBDPOCO-UHFFFAOYSA-N 2 2 327.388 1.999 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000767759626 580198739 /nfs/dbraw/zinc/19/87/39/580198739.db2.gz QHGPRNOQBDPOCO-UHFFFAOYSA-N 2 2 327.388 1.999 20 0 EDADLP FC(F)C1CC([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000768670763 580218389 /nfs/dbraw/zinc/21/83/89/580218389.db2.gz MJJLSLHXEVUHEE-UHFFFAOYSA-N 2 2 325.407 1.622 20 0 EDADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000773009108 580325084 /nfs/dbraw/zinc/32/50/84/580325084.db2.gz ZZGNUWYMBFYJLV-QAPCUYQASA-N 2 2 349.450 1.279 20 0 EDADLP COC(=O)COc1ccc(C[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000775721597 580398428 /nfs/dbraw/zinc/39/84/28/580398428.db2.gz ONGYIRLMSOYYNF-MRXNPFEDSA-N 2 2 336.432 1.127 20 0 EDADLP COC(=O)COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000775721597 580398429 /nfs/dbraw/zinc/39/84/29/580398429.db2.gz ONGYIRLMSOYYNF-MRXNPFEDSA-N 2 2 336.432 1.127 20 0 EDADLP CS[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH+]1CCCC1 ZINC000776210274 580411299 /nfs/dbraw/zinc/41/12/99/580411299.db2.gz DTXLVKOLUNDDHW-HUUCEWRRSA-N 2 2 330.457 1.986 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C1CCS(=O)(=O)CC1 ZINC000779001754 580477783 /nfs/dbraw/zinc/47/77/83/580477783.db2.gz FBWZVGXMTGIHPE-CYBMUJFWSA-N 2 2 334.445 1.570 20 0 EDADLP COC(=O)C[C@@H]1CCCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783978668 580609859 /nfs/dbraw/zinc/60/98/59/580609859.db2.gz YMZPEZNJQWBZSJ-KBPBESRZSA-N 2 2 334.420 1.111 20 0 EDADLP COC(=O)C[C@@H]1CCCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783978668 580609860 /nfs/dbraw/zinc/60/98/60/580609860.db2.gz YMZPEZNJQWBZSJ-KBPBESRZSA-N 2 2 334.420 1.111 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000783995764 580611214 /nfs/dbraw/zinc/61/12/14/580611214.db2.gz WESYFBJXUQNNIO-QGZVFWFLSA-N 3 2 347.507 1.747 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000793712350 580853076 /nfs/dbraw/zinc/85/30/76/580853076.db2.gz JGADAQDSMVEIOO-CQSZACIVSA-N 2 2 347.463 1.106 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000793770092 580855403 /nfs/dbraw/zinc/85/54/03/580855403.db2.gz WLADXJJBAUIXES-SFHVURJKSA-N 2 2 328.416 1.808 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000793770092 580855404 /nfs/dbraw/zinc/85/54/04/580855404.db2.gz WLADXJJBAUIXES-SFHVURJKSA-N 2 2 328.416 1.808 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000793770092 580855405 /nfs/dbraw/zinc/85/54/05/580855405.db2.gz WLADXJJBAUIXES-SFHVURJKSA-N 2 2 328.416 1.808 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000793770092 580855406 /nfs/dbraw/zinc/85/54/06/580855406.db2.gz WLADXJJBAUIXES-SFHVURJKSA-N 2 2 328.416 1.808 20 0 EDADLP O=C1C[C@@H](C(F)F)CN1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000795435100 580922729 /nfs/dbraw/zinc/92/27/29/580922729.db2.gz SBLNKYKBERNMNN-CQSZACIVSA-N 2 2 345.434 1.634 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)s1 ZINC000796339668 580951369 /nfs/dbraw/zinc/95/13/69/580951369.db2.gz WNURFNBXBYVUQX-GDBMZVCRSA-N 2 2 335.473 1.779 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000796704188 580960130 /nfs/dbraw/zinc/96/01/30/580960130.db2.gz XYLSQBKCPDLMNW-FZKCQIBNSA-N 2 2 341.496 1.989 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000796704188 580960131 /nfs/dbraw/zinc/96/01/31/580960131.db2.gz XYLSQBKCPDLMNW-FZKCQIBNSA-N 2 2 341.496 1.989 20 0 EDADLP CC(C)[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000799134525 581018047 /nfs/dbraw/zinc/01/80/47/581018047.db2.gz JCHZREAMTPVNBX-QAPCUYQASA-N 2 2 345.447 1.834 20 0 EDADLP CC(C)[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000799134525 581018048 /nfs/dbraw/zinc/01/80/48/581018048.db2.gz JCHZREAMTPVNBX-QAPCUYQASA-N 2 2 345.447 1.834 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000799338780 581025899 /nfs/dbraw/zinc/02/58/99/581025899.db2.gz AZRAFCJAQWCOBP-ZIAGYGMSSA-N 2 2 326.872 1.931 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000891816179 590634480 /nfs/dbraw/zinc/63/44/80/590634480.db2.gz QKGRYRWVGCLFFS-UHFFFAOYSA-N 2 2 331.420 1.360 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nccn3C3CC3)CC2)CC1 ZINC000891948540 590702107 /nfs/dbraw/zinc/70/21/07/590702107.db2.gz CFQXSVRHWNUUPM-UHFFFAOYSA-N 2 2 345.491 1.594 20 0 EDADLP C[C@H](CNc1nc(NC[C@@H](C)[NH+](C)C)[nH+]c(NC2CC2)n1)[NH+](C)C ZINC000892029629 590758981 /nfs/dbraw/zinc/75/89/81/590758981.db2.gz XSPFYJMOQRMNFR-VXGBXAGGSA-N 3 2 336.488 1.170 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)c1 ZINC000892174912 590844643 /nfs/dbraw/zinc/84/46/43/590844643.db2.gz HPCAOHOKINQDOQ-GOSISDBHSA-N 2 2 331.460 1.742 20 0 EDADLP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893506021 590913201 /nfs/dbraw/zinc/91/32/01/590913201.db2.gz RKPAARUDHAFXCF-ZIAGYGMSSA-N 2 2 329.485 1.725 20 0 EDADLP COC(=O)[C@]1(C)C[C@@H](OC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1C ZINC000893569610 590970370 /nfs/dbraw/zinc/97/03/70/590970370.db2.gz CVXKQMKFTLPMDY-QAPCUYQASA-N 2 2 334.416 1.541 20 0 EDADLP COC(=O)[C@]1(C)C[C@@H](OC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1C ZINC000893569610 590970373 /nfs/dbraw/zinc/97/03/73/590970373.db2.gz CVXKQMKFTLPMDY-QAPCUYQASA-N 2 2 334.416 1.541 20 0 EDADLP CC[C@H](CO)Nc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)nc[nH+]1 ZINC000893685032 591045385 /nfs/dbraw/zinc/04/53/85/591045385.db2.gz IPLPNPJJRPNAFQ-CQSZACIVSA-N 2 2 336.484 1.097 20 0 EDADLP CC[C@H](CO)Nc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)nc[nH+]1 ZINC000893685032 591045389 /nfs/dbraw/zinc/04/53/89/591045389.db2.gz IPLPNPJJRPNAFQ-CQSZACIVSA-N 2 2 336.484 1.097 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)[C@@H]1C ZINC000892513984 591054304 /nfs/dbraw/zinc/05/43/04/591054304.db2.gz RBMCBQRSLNXKEM-ZIAGYGMSSA-N 2 2 349.504 1.527 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892513785 591054483 /nfs/dbraw/zinc/05/44/83/591054483.db2.gz KNWCELYEALOOIM-UHFFFAOYSA-N 2 2 337.493 1.514 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[NH2+]1 ZINC000892513556 591054555 /nfs/dbraw/zinc/05/45/55/591054555.db2.gz CRFNOODDCMFLLQ-ZDUSSCGKSA-N 2 2 335.477 1.138 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[C@@H]1[NH3+] ZINC000892514177 591054793 /nfs/dbraw/zinc/05/47/93/591054793.db2.gz XUEQDWRHAWTNLK-ZFWWWQNUSA-N 2 2 349.504 1.514 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000893706828 591056158 /nfs/dbraw/zinc/05/61/58/591056158.db2.gz KCXHRMUZACTMLK-CABCVRRESA-N 2 2 341.496 1.725 20 0 EDADLP CO[C@@H]1CC[C@H]1N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892521889 591057644 /nfs/dbraw/zinc/05/76/44/591057644.db2.gz IPUHZEFZSXHKEU-IAGOWNOFSA-N 2 2 338.496 1.364 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892563829 591074700 /nfs/dbraw/zinc/07/47/00/591074700.db2.gz WLEVNYWHVDEHOX-UHFFFAOYSA-N 2 2 344.463 1.997 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)CC2)CC1 ZINC000891459545 591078427 /nfs/dbraw/zinc/07/84/27/591078427.db2.gz AXGWLPXJEAWJEY-MSOLQXFVSA-N 2 2 349.523 1.081 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891506832 591100213 /nfs/dbraw/zinc/10/02/13/591100213.db2.gz MFSKFWMNXDIDTP-KRWDZBQOSA-N 2 2 348.491 1.357 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891506832 591100217 /nfs/dbraw/zinc/10/02/17/591100217.db2.gz MFSKFWMNXDIDTP-KRWDZBQOSA-N 2 2 348.491 1.357 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000893865573 591120163 /nfs/dbraw/zinc/12/01/63/591120163.db2.gz GQHSBLFCOCELBE-DLBZAZTESA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)(C)c1nc(N2CCC(OCC[NH+]3CCCC3)CC2)nc(N)[nH+]1 ZINC000892759735 591164978 /nfs/dbraw/zinc/16/49/78/591164978.db2.gz JGSOVNPZIWJVJI-UHFFFAOYSA-N 2 2 348.495 1.833 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000891653611 591170571 /nfs/dbraw/zinc/17/05/71/591170571.db2.gz FZECGHAZIAQUMM-ZBFHGGJFSA-N 2 2 327.432 1.757 20 0 EDADLP CCc1c(C)nc2ncnn2c1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000892815769 591191164 /nfs/dbraw/zinc/19/11/64/591191164.db2.gz JOLORTDMVOGIOD-UHFFFAOYSA-N 2 2 331.468 1.433 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@H]2C1 ZINC000891706107 591193874 /nfs/dbraw/zinc/19/38/74/591193874.db2.gz ZBXAWJYCHHWDBN-CABCVRRESA-N 2 2 326.404 1.113 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@H]2C1 ZINC000891706107 591193875 /nfs/dbraw/zinc/19/38/75/591193875.db2.gz ZBXAWJYCHHWDBN-CABCVRRESA-N 2 2 326.404 1.113 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000891709348 591195521 /nfs/dbraw/zinc/19/55/21/591195521.db2.gz QCVIWPUOPCOQAT-GJZGRUSLSA-N 2 2 331.464 1.738 20 0 EDADLP CC[C@H](COC)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893024210 591258993 /nfs/dbraw/zinc/25/89/93/591258993.db2.gz SKUFXYSZUBONBB-CQSZACIVSA-N 2 2 329.485 1.990 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(N3CC[NH+](CCOCCOC)CC3)c12 ZINC000894408885 591303999 /nfs/dbraw/zinc/30/39/99/591303999.db2.gz VMLSNRCJDVMJGH-UHFFFAOYSA-N 2 2 333.436 1.305 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c[nH+]1 ZINC000896005147 591321459 /nfs/dbraw/zinc/32/14/59/591321459.db2.gz ZYVBUTYNLGGYHN-UHFFFAOYSA-N 3 2 347.507 1.601 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000896005147 591321462 /nfs/dbraw/zinc/32/14/62/591321462.db2.gz ZYVBUTYNLGGYHN-UHFFFAOYSA-N 2 2 347.507 1.601 20 0 EDADLP CC(=O)c1cncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000896004884 591321486 /nfs/dbraw/zinc/32/14/86/591321486.db2.gz RYJCEDYYNRZMGA-UHFFFAOYSA-N 2 2 344.459 1.573 20 0 EDADLP CCO[C@@H](CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1)C[NH+](C)C ZINC000896113542 591348478 /nfs/dbraw/zinc/34/84/78/591348478.db2.gz QKFYHLYABOQBFZ-AWEZNQCLSA-N 2 2 337.468 1.206 20 0 EDADLP CCO[C@@H](CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C[NH+](C)C ZINC000896113542 591348479 /nfs/dbraw/zinc/34/84/79/591348479.db2.gz QKFYHLYABOQBFZ-AWEZNQCLSA-N 2 2 337.468 1.206 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000894673244 591383585 /nfs/dbraw/zinc/38/35/85/591383585.db2.gz MKJQXPONZNTZLI-HRCADAONSA-N 2 2 341.496 1.726 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000894673244 591383590 /nfs/dbraw/zinc/38/35/90/591383590.db2.gz MKJQXPONZNTZLI-HRCADAONSA-N 2 2 341.496 1.726 20 0 EDADLP CCN(C(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000896295304 591411688 /nfs/dbraw/zinc/41/16/88/591411688.db2.gz ZNUQASCKLCSCHD-UHFFFAOYSA-N 2 2 333.476 1.864 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000895009381 591520252 /nfs/dbraw/zinc/52/02/52/591520252.db2.gz WIZUASLAYICRHI-SFHVURJKSA-N 2 2 338.415 1.318 20 0 EDADLP CON(C)C(=O)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000895040902 591536971 /nfs/dbraw/zinc/53/69/71/591536971.db2.gz PWVFGDIYSTWPPJ-UHFFFAOYSA-N 2 2 325.840 1.914 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C12CCC2 ZINC000898842022 591559044 /nfs/dbraw/zinc/55/90/44/591559044.db2.gz QXGYLXPBCRUJSN-HUUCEWRRSA-N 2 2 325.416 1.870 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000896633239 591560377 /nfs/dbraw/zinc/56/03/77/591560377.db2.gz ROUNKSYHYDDYSR-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000896633239 591560380 /nfs/dbraw/zinc/56/03/80/591560380.db2.gz ROUNKSYHYDDYSR-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000896809123 591617040 /nfs/dbraw/zinc/61/70/40/591617040.db2.gz FWZMDPSQEUGMRS-MRXNPFEDSA-N 2 2 336.480 1.886 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000899025053 591639462 /nfs/dbraw/zinc/63/94/62/591639462.db2.gz ZONZVDKFWVBZED-GOSISDBHSA-N 2 2 340.427 1.584 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000899025053 591639465 /nfs/dbraw/zinc/63/94/65/591639465.db2.gz ZONZVDKFWVBZED-GOSISDBHSA-N 2 2 340.427 1.584 20 0 EDADLP CN1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)Cc2ccc[nH+]c21 ZINC000899187310 591724915 /nfs/dbraw/zinc/72/49/15/591724915.db2.gz SDRFMEQIMFMSBD-MRXNPFEDSA-N 2 2 340.431 1.664 20 0 EDADLP CN1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)Cc2ccc[nH+]c21 ZINC000899187310 591724918 /nfs/dbraw/zinc/72/49/18/591724918.db2.gz SDRFMEQIMFMSBD-MRXNPFEDSA-N 2 2 340.431 1.664 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[N@@H+]3CCC(C)(C)C3)nc[nH+]2)C1 ZINC000897248170 591785628 /nfs/dbraw/zinc/78/56/28/591785628.db2.gz LJVLVHZCIYKIKT-HUUCEWRRSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[N@H+]3CCC(C)(C)C3)nc[nH+]2)C1 ZINC000897248170 591785632 /nfs/dbraw/zinc/78/56/32/591785632.db2.gz LJVLVHZCIYKIKT-HUUCEWRRSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H]1C[N@H+](Cc2cn(C[C@@H]3CCCO3)nn2)CCN1c1cc[nH+]cc1 ZINC000895556093 591800457 /nfs/dbraw/zinc/80/04/57/591800457.db2.gz DWVJMAZULMOKES-YJBOKZPZSA-N 2 2 342.447 1.563 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)c[nH+]1 ZINC000898207542 591818020 /nfs/dbraw/zinc/81/80/20/591818020.db2.gz MPLYPSVDDYQYRU-GJZGRUSLSA-N 2 2 334.464 1.542 20 0 EDADLP COc1ccc([C@H](CNC(=O)Cc2c[nH]c[nH+]2)[NH+]2CCCC2)cc1 ZINC000899952828 591839337 /nfs/dbraw/zinc/83/93/37/591839337.db2.gz TYEWOZCPDMKLGZ-KRWDZBQOSA-N 2 2 328.416 1.914 20 0 EDADLP COCC[NH+](CCOC)C1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000898255653 591839544 /nfs/dbraw/zinc/83/95/44/591839544.db2.gz VNYGPOJPTHLRNU-GOSISDBHSA-N 2 2 349.475 1.095 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@H]2CCC[C@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000898274758 591849128 /nfs/dbraw/zinc/84/91/28/591849128.db2.gz URWPWASANZXHRL-BZZMCLGOSA-N 2 2 334.508 1.985 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@H]2CCC[C@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000898274758 591849132 /nfs/dbraw/zinc/84/91/32/591849132.db2.gz URWPWASANZXHRL-BZZMCLGOSA-N 2 2 334.508 1.985 20 0 EDADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000899613504 591870977 /nfs/dbraw/zinc/87/09/77/591870977.db2.gz DGFDCFDJJGKONT-INIZCTEOSA-N 2 2 342.553 1.245 20 0 EDADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000899613504 591870981 /nfs/dbraw/zinc/87/09/81/591870981.db2.gz DGFDCFDJJGKONT-INIZCTEOSA-N 2 2 342.553 1.245 20 0 EDADLP Cc1[nH+]c2ccccn2c1CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000900178894 591930310 /nfs/dbraw/zinc/93/03/10/591930310.db2.gz QSNQKFFRYHIHJV-AWEZNQCLSA-N 2 2 341.415 1.549 20 0 EDADLP NC(=[NH+]OC[C@@H]1CNC(=O)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000902224765 591949010 /nfs/dbraw/zinc/94/90/10/591949010.db2.gz MGJZQRPQEFAIMH-HNNXBMFYSA-N 2 2 330.432 1.655 20 0 EDADLP C/C(=C/C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)C[NH+]1CCOCC1 ZINC000900340878 591989826 /nfs/dbraw/zinc/98/98/26/591989826.db2.gz XAKFBMUVZFSLSK-UVQBRAAOSA-N 2 2 334.464 1.693 20 0 EDADLP CSCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000902392551 591990171 /nfs/dbraw/zinc/99/01/71/591990171.db2.gz JPQGBEINLFBSBF-KRWDZBQOSA-N 2 2 339.505 1.936 20 0 EDADLP O=c1[nH]ncc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)c1Cl ZINC000902518120 592009639 /nfs/dbraw/zinc/00/96/39/592009639.db2.gz KTEJVJPQSFFTAF-WCQYABFASA-N 2 2 337.855 1.679 20 0 EDADLP Cc1cccn2cc(Cn3cc(CNC4CC[NH+](C)CC4)nn3)[nH+]c12 ZINC000900525183 592036979 /nfs/dbraw/zinc/03/69/79/592036979.db2.gz OZJQLTLSUZNCGZ-UHFFFAOYSA-N 2 2 339.447 1.466 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)nn2)CC1 ZINC000900583693 592069841 /nfs/dbraw/zinc/06/98/41/592069841.db2.gz RNPFAUFKBOTUOX-SHHSBJBSSA-N 2 2 325.407 1.753 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(-c2ccccc2)ns1 ZINC000902952764 592089585 /nfs/dbraw/zinc/08/95/85/592089585.db2.gz DDDDKKKABGIBPS-UHFFFAOYSA-N 2 2 347.488 1.818 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(-c2ccccc2)ns1 ZINC000902952764 592089587 /nfs/dbraw/zinc/08/95/87/592089587.db2.gz DDDDKKKABGIBPS-UHFFFAOYSA-N 2 2 347.488 1.818 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000900744476 592115672 /nfs/dbraw/zinc/11/56/72/592115672.db2.gz KZLADSPSHMATJK-RHSMWYFYSA-N 2 2 328.416 1.219 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000900744476 592115674 /nfs/dbraw/zinc/11/56/74/592115674.db2.gz KZLADSPSHMATJK-RHSMWYFYSA-N 2 2 328.416 1.219 20 0 EDADLP CON(C)CC[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000903197249 592133983 /nfs/dbraw/zinc/13/39/83/592133983.db2.gz XDKIJXGNGXPMAB-UHFFFAOYSA-N 2 2 330.473 1.058 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903218198 592141192 /nfs/dbraw/zinc/14/11/92/592141192.db2.gz BLQAFPUBQOWDIK-QZTJIDSGSA-N 2 2 337.508 1.474 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000903470035 592175022 /nfs/dbraw/zinc/17/50/22/592175022.db2.gz ZRZORHRQOBKYTL-GRDNDAEWSA-N 2 2 345.443 1.205 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000900953746 592175496 /nfs/dbraw/zinc/17/54/96/592175496.db2.gz DVJQSWSQIQVQJY-PUZFROQSSA-N 2 2 345.487 1.221 20 0 EDADLP O=C(CN[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000903472475 592175757 /nfs/dbraw/zinc/17/57/57/592175757.db2.gz ZIFBRSIQRKXCEV-MRXNPFEDSA-N 2 2 348.516 1.267 20 0 EDADLP CC(C)C1(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC000903562407 592210673 /nfs/dbraw/zinc/21/06/73/592210673.db2.gz MDOJOVVLYKQWAC-IYBDPMFKSA-N 2 2 341.521 1.405 20 0 EDADLP CC(C)C1(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC000903562407 592210675 /nfs/dbraw/zinc/21/06/75/592210675.db2.gz MDOJOVVLYKQWAC-IYBDPMFKSA-N 2 2 341.521 1.405 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(N)nn2)C1 ZINC000904342380 592234531 /nfs/dbraw/zinc/23/45/31/592234531.db2.gz GFJGKLUPKIAIDU-CYBMUJFWSA-N 2 2 332.477 1.778 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N)nn2)C1 ZINC000904342380 592234533 /nfs/dbraw/zinc/23/45/33/592234533.db2.gz GFJGKLUPKIAIDU-CYBMUJFWSA-N 2 2 332.477 1.778 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904342380 592234535 /nfs/dbraw/zinc/23/45/35/592234535.db2.gz GFJGKLUPKIAIDU-CYBMUJFWSA-N 2 2 332.477 1.778 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904342380 592234538 /nfs/dbraw/zinc/23/45/38/592234538.db2.gz GFJGKLUPKIAIDU-CYBMUJFWSA-N 2 2 332.477 1.778 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000904380720 592246663 /nfs/dbraw/zinc/24/66/63/592246663.db2.gz OONFWYBZBZSSMN-UHFFFAOYSA-N 2 2 344.459 1.154 20 0 EDADLP Cc1ccccc1-n1nccc1CN1C[C@@H](c2cn(C)c[nH+]2)[C@H]([NH3+])C1 ZINC000904491889 592265858 /nfs/dbraw/zinc/26/58/58/592265858.db2.gz SMWNGTTXCFZQQJ-IAGOWNOFSA-N 2 2 336.443 1.841 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000906661207 592269793 /nfs/dbraw/zinc/26/97/93/592269793.db2.gz PNMAMQMOKMPIFK-MRXNPFEDSA-N 2 2 330.476 1.905 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000906661207 592269796 /nfs/dbraw/zinc/26/97/96/592269796.db2.gz PNMAMQMOKMPIFK-MRXNPFEDSA-N 2 2 330.476 1.905 20 0 EDADLP Cc1csc([C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)n1 ZINC000903725224 592285276 /nfs/dbraw/zinc/28/52/76/592285276.db2.gz ADEJPEJYKWSJAK-GJZGRUSLSA-N 2 2 337.489 1.984 20 0 EDADLP Cc1csc([C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)n1 ZINC000903725224 592285278 /nfs/dbraw/zinc/28/52/78/592285278.db2.gz ADEJPEJYKWSJAK-GJZGRUSLSA-N 2 2 337.489 1.984 20 0 EDADLP CCOC(=O)[C@H](CCc1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000903749548 592294533 /nfs/dbraw/zinc/29/45/33/592294533.db2.gz LKRHKLFVNFYEMB-OALUTQOASA-N 2 2 345.487 1.530 20 0 EDADLP C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790753 592316234 /nfs/dbraw/zinc/31/62/34/592316234.db2.gz YZWXGTHXPLEHJP-AWEZNQCLSA-N 2 2 347.507 1.911 20 0 EDADLP C[C@H]1C[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000906799819 592350344 /nfs/dbraw/zinc/35/03/44/592350344.db2.gz WLSALCUEROWJLC-JKSUJKDBSA-N 2 2 334.464 1.033 20 0 EDADLP C[C@H]1C[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000906799819 592350351 /nfs/dbraw/zinc/35/03/51/592350351.db2.gz WLSALCUEROWJLC-JKSUJKDBSA-N 2 2 334.464 1.033 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903892313 592361502 /nfs/dbraw/zinc/36/15/02/592361502.db2.gz HIZWVFLZLDLBFB-WMZOPIPTSA-N 3 2 344.507 1.942 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903892313 592361508 /nfs/dbraw/zinc/36/15/08/592361508.db2.gz HIZWVFLZLDLBFB-WMZOPIPTSA-N 3 2 344.507 1.942 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cnn1C ZINC000903914432 592365221 /nfs/dbraw/zinc/36/52/21/592365221.db2.gz UXUOJPDMGNFOGQ-PBHICJAKSA-N 2 2 348.520 1.370 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cnn1C ZINC000903914432 592365227 /nfs/dbraw/zinc/36/52/27/592365227.db2.gz UXUOJPDMGNFOGQ-PBHICJAKSA-N 2 2 348.520 1.370 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905034375 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348.476 1.636 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000905270027 592488180 /nfs/dbraw/zinc/48/81/80/592488180.db2.gz VVBCLMLQORRLTC-UHFFFAOYSA-N 2 2 344.503 1.133 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907048183 592494683 /nfs/dbraw/zinc/49/46/83/592494683.db2.gz WCPJMRKNXAJEOE-UHFFFAOYSA-N 2 2 345.447 1.179 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C[C@@]1(O)CCOC1 ZINC000905410282 592524088 /nfs/dbraw/zinc/52/40/88/592524088.db2.gz VSPWDQDFDHXROJ-SQNIBIBYSA-N 2 2 326.481 1.276 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C[C@@]1(O)CCOC1 ZINC000905410282 592524090 /nfs/dbraw/zinc/52/40/90/592524090.db2.gz VSPWDQDFDHXROJ-SQNIBIBYSA-N 2 2 326.481 1.276 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000907213148 592565714 /nfs/dbraw/zinc/56/57/14/592565714.db2.gz BQYCEGFGSONWHI-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000907213148 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0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+]3Cc3ccccc3)C2)C1 ZINC000910785679 592891881 /nfs/dbraw/zinc/89/18/81/592891881.db2.gz GISLKVFKBUMJCS-QGZVFWFLSA-N 2 2 329.444 1.194 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+]3Cc3ccccc3)C2)C1 ZINC000910785679 592891882 /nfs/dbraw/zinc/89/18/82/592891882.db2.gz GISLKVFKBUMJCS-QGZVFWFLSA-N 2 2 329.444 1.194 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000910785679 592891883 /nfs/dbraw/zinc/89/18/83/592891883.db2.gz GISLKVFKBUMJCS-QGZVFWFLSA-N 2 2 329.444 1.194 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)C1 ZINC000910785679 592891884 /nfs/dbraw/zinc/89/18/84/592891884.db2.gz GISLKVFKBUMJCS-QGZVFWFLSA-N 2 2 329.444 1.194 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)C[C@]3(O)CCC[N@@H+](C)C3)cn21 ZINC000911608830 592959842 /nfs/dbraw/zinc/95/98/42/592959842.db2.gz DGBVLGRLPRSNBL-GOSISDBHSA-N 2 2 330.432 1.148 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)C[C@]3(O)CCC[N@H+](C)C3)cn21 ZINC000911608830 592959845 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HGCLDRFLWTXLMA-IKGGRYGDSA-N 2 2 325.497 1.900 20 0 EDADLP CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911817809 593022724 /nfs/dbraw/zinc/02/27/24/593022724.db2.gz HGCLDRFLWTXLMA-IKGGRYGDSA-N 2 2 325.497 1.900 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)[C@@H](C[NH3+])C1 ZINC000911877696 593029388 /nfs/dbraw/zinc/02/93/88/593029388.db2.gz CDWMSHBPEKUMMW-WFASDCNBSA-N 2 2 337.370 1.197 20 0 EDADLP C[C@@]1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C[NH+]2CCC1CC2 ZINC000912380461 593089321 /nfs/dbraw/zinc/08/93/21/593089321.db2.gz SULPIQHSTPBNGQ-HXUWFJFHSA-N 2 2 343.471 1.733 20 0 EDADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000912588089 593106617 /nfs/dbraw/zinc/10/66/17/593106617.db2.gz BCRXPCLEYZKEIS-OAHLLOKOSA-N 2 2 334.464 1.045 20 0 EDADLP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000838853109 593225501 /nfs/dbraw/zinc/22/55/01/593225501.db2.gz IVLBDEUHCUAWMO-IAGOWNOFSA-N 2 2 339.524 1.924 20 0 EDADLP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000838853109 593225504 /nfs/dbraw/zinc/22/55/04/593225504.db2.gz IVLBDEUHCUAWMO-IAGOWNOFSA-N 2 2 339.524 1.924 20 0 EDADLP Cn1c[nH+]c(CNc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000808380987 593256128 /nfs/dbraw/zinc/25/61/28/593256128.db2.gz JYAJRNVRCWAZIA-UHFFFAOYSA-N 2 2 327.432 1.349 20 0 EDADLP CCOc1ccc(-c2nnn(C[N@H+](C)CC3CC[NH+](C)CC3)n2)cc1 ZINC000103461999 593303122 /nfs/dbraw/zinc/30/31/22/593303122.db2.gz DMLABNBOWQJEFQ-UHFFFAOYSA-N 2 2 344.463 1.970 20 0 EDADLP CCOc1ccc(-c2nnn(C[N@@H+](C)CC3CC[NH+](C)CC3)n2)cc1 ZINC000103461999 593303124 /nfs/dbraw/zinc/30/31/24/593303124.db2.gz DMLABNBOWQJEFQ-UHFFFAOYSA-N 2 2 344.463 1.970 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3C[C@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000840037816 593402771 /nfs/dbraw/zinc/40/27/71/593402771.db2.gz KZLKXUIBUMSXNK-MJGOQNOKSA-N 2 2 348.535 1.693 20 0 EDADLP C[C@@H](C[NH2+][C@@H](C)c1cnnn1-c1ccccc1)C[NH+]1CCOCC1 ZINC000813325852 593526525 /nfs/dbraw/zinc/52/65/25/593526525.db2.gz LUHZOKNUWXJKGO-HOTGVXAUSA-N 2 2 329.448 1.886 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)OC(C)(C)C)CC2)CC1 ZINC000817389618 593600766 /nfs/dbraw/zinc/60/07/66/593600766.db2.gz WLZOUCUJUJBJJH-UHFFFAOYSA-N 2 2 339.480 1.347 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)OC(C)(C)C)CC2)CC1 ZINC000817389618 593600767 /nfs/dbraw/zinc/60/07/67/593600767.db2.gz WLZOUCUJUJBJJH-UHFFFAOYSA-N 2 2 339.480 1.347 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000817892332 593646017 /nfs/dbraw/zinc/64/60/17/593646017.db2.gz STOZQMULLWEOGK-SNPRPXQTSA-N 2 2 332.366 1.793 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000817929645 593649727 /nfs/dbraw/zinc/64/97/27/593649727.db2.gz JNLJJKROGFZXCR-WBVHZDCISA-N 2 2 340.489 1.001 20 0 EDADLP CN1C(=O)CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1=O ZINC000818233811 593685956 /nfs/dbraw/zinc/68/59/56/593685956.db2.gz ORYIEMCDRVWIKS-QGZVFWFLSA-N 2 2 344.459 1.458 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000818330192 593693202 /nfs/dbraw/zinc/69/32/02/593693202.db2.gz PJNZARHRJJOQLF-GFCCVEGCSA-N 2 2 325.840 1.773 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000819635632 593761926 /nfs/dbraw/zinc/76/19/26/593761926.db2.gz VMSVLKFKNJNGOM-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680875 593832564 /nfs/dbraw/zinc/83/25/64/593832564.db2.gz BATKGJHJXPDCMQ-LSDHHAIUSA-N 2 2 339.403 1.503 20 0 EDADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680875 593832567 /nfs/dbraw/zinc/83/25/67/593832567.db2.gz BATKGJHJXPDCMQ-LSDHHAIUSA-N 2 2 339.403 1.503 20 0 EDADLP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680860 593832844 /nfs/dbraw/zinc/83/28/44/593832844.db2.gz BATKGJHJXPDCMQ-CABCVRRESA-N 2 2 339.403 1.503 20 0 EDADLP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680860 593832845 /nfs/dbraw/zinc/83/28/45/593832845.db2.gz BATKGJHJXPDCMQ-CABCVRRESA-N 2 2 339.403 1.503 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cnnn1C ZINC000820809099 593895102 /nfs/dbraw/zinc/89/51/02/593895102.db2.gz UCTSWNGPKLWZIT-GJZGRUSLSA-N 2 2 329.448 1.887 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cnnn1C ZINC000820809099 593895103 /nfs/dbraw/zinc/89/51/03/593895103.db2.gz UCTSWNGPKLWZIT-GJZGRUSLSA-N 2 2 329.448 1.887 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821809342 593945840 /nfs/dbraw/zinc/94/58/40/593945840.db2.gz NLQNSCKDUJVUJE-XHDPSFHLSA-N 2 2 328.420 1.448 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1-c1nn[nH]n1 ZINC000821809342 593945841 /nfs/dbraw/zinc/94/58/41/593945841.db2.gz NLQNSCKDUJVUJE-XHDPSFHLSA-N 2 2 328.420 1.448 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261418 593969783 /nfs/dbraw/zinc/96/97/83/593969783.db2.gz JTXSIQPVPIOZPA-YOEHRIQHSA-N 2 2 344.463 1.874 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261418 593969784 /nfs/dbraw/zinc/96/97/84/593969784.db2.gz JTXSIQPVPIOZPA-YOEHRIQHSA-N 2 2 344.463 1.874 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585138 594043048 /nfs/dbraw/zinc/04/30/48/594043048.db2.gz OKCZJEKHJGTXFI-GFCCVEGCSA-N 2 2 348.426 1.503 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C[C@@H]2C1 ZINC000823030732 594140610 /nfs/dbraw/zinc/14/06/10/594140610.db2.gz ZTBGPBJJOYSOSC-FRRDWIJNSA-N 2 2 330.354 1.787 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C[C@@H]2C1 ZINC000823030732 594140611 /nfs/dbraw/zinc/14/06/11/594140611.db2.gz ZTBGPBJJOYSOSC-FRRDWIJNSA-N 2 2 330.354 1.787 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000823030200 594140651 /nfs/dbraw/zinc/14/06/51/594140651.db2.gz VKYOPMLQGFFTOR-YQVWRLOYSA-N 2 2 343.471 1.680 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)cc1 ZINC000823030200 594140652 /nfs/dbraw/zinc/14/06/52/594140652.db2.gz VKYOPMLQGFFTOR-YQVWRLOYSA-N 2 2 343.471 1.680 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000823030200 594140653 /nfs/dbraw/zinc/14/06/53/594140653.db2.gz VKYOPMLQGFFTOR-YQVWRLOYSA-N 2 2 343.471 1.680 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1 ZINC000823030200 594140654 /nfs/dbraw/zinc/14/06/54/594140654.db2.gz VKYOPMLQGFFTOR-YQVWRLOYSA-N 2 2 343.471 1.680 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)c1 ZINC000825207213 594147799 /nfs/dbraw/zinc/14/77/99/594147799.db2.gz DCJDQDAWWTXCQQ-UHFFFAOYSA-N 2 2 331.460 1.681 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)o1 ZINC000827699322 594260370 /nfs/dbraw/zinc/26/03/70/594260370.db2.gz HCHLKBITVACJFN-XVWMLYKFSA-N 2 2 334.416 1.497 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)o1 ZINC000827699322 594260371 /nfs/dbraw/zinc/26/03/71/594260371.db2.gz HCHLKBITVACJFN-XVWMLYKFSA-N 2 2 334.416 1.497 20 0 EDADLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826192761 594370404 /nfs/dbraw/zinc/37/04/04/594370404.db2.gz ZRFSEPCLZULKDH-TZMCWYRMSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826192761 594370406 /nfs/dbraw/zinc/37/04/06/594370406.db2.gz ZRFSEPCLZULKDH-TZMCWYRMSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826192761 594370410 /nfs/dbraw/zinc/37/04/10/594370410.db2.gz ZRFSEPCLZULKDH-TZMCWYRMSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826192761 594370413 /nfs/dbraw/zinc/37/04/13/594370413.db2.gz ZRFSEPCLZULKDH-TZMCWYRMSA-N 2 2 330.436 1.790 20 0 EDADLP Cc1cc[nH+]c(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1-c1nn[nH]n1 ZINC000826309102 594417584 /nfs/dbraw/zinc/41/75/84/594417584.db2.gz DGPUPMCVELKKKM-ZDUSSCGKSA-N 2 2 345.451 1.099 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826364042 594445845 /nfs/dbraw/zinc/44/58/45/594445845.db2.gz JAEQGPUUJXYVCD-CQSZACIVSA-N 2 2 339.403 1.469 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826364042 594445848 /nfs/dbraw/zinc/44/58/48/594445848.db2.gz JAEQGPUUJXYVCD-CQSZACIVSA-N 2 2 339.403 1.469 20 0 EDADLP c1cc(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n[nH]1 ZINC000826515971 594513977 /nfs/dbraw/zinc/51/39/77/594513977.db2.gz RWVNWYRBEKRZLL-UHFFFAOYSA-N 2 2 338.419 1.344 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000826551908 594523301 /nfs/dbraw/zinc/52/33/01/594523301.db2.gz SHPCDESDWXOTAO-BHIYHBOVSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000826551908 594523302 /nfs/dbraw/zinc/52/33/02/594523302.db2.gz SHPCDESDWXOTAO-BHIYHBOVSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC000826551908 594523303 /nfs/dbraw/zinc/52/33/03/594523303.db2.gz SHPCDESDWXOTAO-BHIYHBOVSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC000826551908 594523304 /nfs/dbraw/zinc/52/33/04/594523304.db2.gz SHPCDESDWXOTAO-BHIYHBOVSA-N 2 2 345.487 1.652 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000826704787 594559918 /nfs/dbraw/zinc/55/99/18/594559918.db2.gz QPTUOMWXMIVRHF-HNNXBMFYSA-N 2 2 337.387 1.641 20 0 EDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000826721268 594563945 /nfs/dbraw/zinc/56/39/45/594563945.db2.gz UVLSFHUQNOHQPR-UHFFFAOYSA-N 2 2 346.475 1.162 20 0 EDADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000826721268 594563946 /nfs/dbraw/zinc/56/39/46/594563946.db2.gz UVLSFHUQNOHQPR-UHFFFAOYSA-N 2 2 346.475 1.162 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@]1(F)CC[NH2+]C1 ZINC000829225910 594584204 /nfs/dbraw/zinc/58/42/04/594584204.db2.gz JNPCCZHQMLBUHB-PXAZEXFGSA-N 2 2 341.377 1.747 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@]1(F)CC[NH2+]C1 ZINC000829225910 594584205 /nfs/dbraw/zinc/58/42/05/594584205.db2.gz JNPCCZHQMLBUHB-PXAZEXFGSA-N 2 2 341.377 1.747 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@H+](Cc2ccccc2)C1 ZINC000826943243 594606885 /nfs/dbraw/zinc/60/68/85/594606885.db2.gz WGWZJPJHPNRJSZ-MISYRCLQSA-N 2 2 348.487 1.655 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@@H+](Cc2ccccc2)C1 ZINC000826943243 594606886 /nfs/dbraw/zinc/60/68/86/594606886.db2.gz WGWZJPJHPNRJSZ-MISYRCLQSA-N 2 2 348.487 1.655 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000841727700 594944561 /nfs/dbraw/zinc/94/45/61/594944561.db2.gz WLHLYVPIZPMTAM-OLZOCXBDSA-N 2 2 328.420 1.468 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841837673 594961344 /nfs/dbraw/zinc/96/13/44/594961344.db2.gz DVNVKRSMVDBEFY-AWEZNQCLSA-N 2 2 333.480 1.758 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841837673 594961347 /nfs/dbraw/zinc/96/13/47/594961347.db2.gz DVNVKRSMVDBEFY-AWEZNQCLSA-N 2 2 333.480 1.758 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841838229 594961928 /nfs/dbraw/zinc/96/19/28/594961928.db2.gz SAKDSFPHJLLEHK-ZIAGYGMSSA-N 2 2 333.480 1.756 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841838229 594961930 /nfs/dbraw/zinc/96/19/30/594961930.db2.gz SAKDSFPHJLLEHK-ZIAGYGMSSA-N 2 2 333.480 1.756 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c43)CC2)c1 ZINC000836522512 594971640 /nfs/dbraw/zinc/97/16/40/594971640.db2.gz MVDVPUSTKHWGAJ-CQSZACIVSA-N 2 2 326.404 1.563 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH2+]CC1 ZINC000841916203 594981280 /nfs/dbraw/zinc/98/12/80/594981280.db2.gz PDBYHNONJKUYOD-UHFFFAOYSA-N 2 2 340.512 1.663 20 0 EDADLP Cc1nc([C@@H](C)ONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000842037811 595006830 /nfs/dbraw/zinc/00/68/30/595006830.db2.gz BGCBXWJAOSPPPG-IUODEOHRSA-N 2 2 345.403 1.838 20 0 EDADLP Cc1nc([C@@H](C)ONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000842037811 595006832 /nfs/dbraw/zinc/00/68/32/595006832.db2.gz BGCBXWJAOSPPPG-IUODEOHRSA-N 2 2 345.403 1.838 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843353697 595084483 /nfs/dbraw/zinc/08/44/83/595084483.db2.gz MYYPFYCGDBTRIE-RVKKMQEKSA-N 2 2 346.475 1.519 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843353697 595084487 /nfs/dbraw/zinc/08/44/87/595084487.db2.gz MYYPFYCGDBTRIE-RVKKMQEKSA-N 2 2 346.475 1.519 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c(N(C)C)[nH+]1 ZINC000846013852 595122362 /nfs/dbraw/zinc/12/23/62/595122362.db2.gz CXZBICCQQXFXCH-UHFFFAOYSA-N 2 2 349.479 1.489 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)c(N(C)C)[nH+]1 ZINC000846013852 595122365 /nfs/dbraw/zinc/12/23/65/595122365.db2.gz CXZBICCQQXFXCH-UHFFFAOYSA-N 2 2 349.479 1.489 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000105210492 595127078 /nfs/dbraw/zinc/12/70/78/595127078.db2.gz IKEIQBGUYRPJLT-UHFFFAOYSA-N 2 2 338.452 1.427 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000837804929 595199722 /nfs/dbraw/zinc/19/97/22/595199722.db2.gz IYYCDFIHZBRMJM-MRXNPFEDSA-N 2 2 342.447 1.811 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000837804929 595199723 /nfs/dbraw/zinc/19/97/23/595199723.db2.gz IYYCDFIHZBRMJM-MRXNPFEDSA-N 2 2 342.447 1.811 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CC2)[nH+]c1 ZINC000834845501 595228702 /nfs/dbraw/zinc/22/87/02/595228702.db2.gz ATWYZFSAWGTHEM-AWEZNQCLSA-N 2 2 338.402 1.720 20 0 EDADLP C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000867310498 595230200 /nfs/dbraw/zinc/23/02/00/595230200.db2.gz ZUPBNUYYXKGEDY-HBKWROQRSA-N 2 2 335.492 1.644 20 0 EDADLP C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000867310498 595230203 /nfs/dbraw/zinc/23/02/03/595230203.db2.gz ZUPBNUYYXKGEDY-HBKWROQRSA-N 2 2 335.492 1.644 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000843069655 595279961 /nfs/dbraw/zinc/27/99/61/595279961.db2.gz UDMCRIYCYYLUKX-HIFRSBDPSA-N 2 2 348.365 1.663 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000843069655 595279962 /nfs/dbraw/zinc/27/99/62/595279962.db2.gz UDMCRIYCYYLUKX-HIFRSBDPSA-N 2 2 348.365 1.663 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)cc2)CC1 ZINC000844128192 595282077 /nfs/dbraw/zinc/28/20/77/595282077.db2.gz JTNLGPRGZWZFCK-OAHLLOKOSA-N 2 2 339.443 1.836 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000843085995 595283539 /nfs/dbraw/zinc/28/35/39/595283539.db2.gz FFWLECNYIZXXAS-CJNGLKHVSA-N 2 2 330.831 1.949 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000843085995 595283542 /nfs/dbraw/zinc/28/35/42/595283542.db2.gz FFWLECNYIZXXAS-CJNGLKHVSA-N 2 2 330.831 1.949 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000843091408 595285333 /nfs/dbraw/zinc/28/53/33/595285333.db2.gz COZUCGHMGWPDGW-YOEHRIQHSA-N 2 2 338.448 1.174 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000843091408 595285336 /nfs/dbraw/zinc/28/53/36/595285336.db2.gz COZUCGHMGWPDGW-YOEHRIQHSA-N 2 2 338.448 1.174 20 0 EDADLP Cc1[nH]c(-c2cccc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c2)[nH+]c1C ZINC000844175969 595292554 /nfs/dbraw/zinc/29/25/54/595292554.db2.gz MFZXQUNCBCTDAT-INIZCTEOSA-N 2 2 343.431 1.732 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000846666205 595295951 /nfs/dbraw/zinc/29/59/51/595295951.db2.gz DWDWHJXFQFADHM-ZDUSSCGKSA-N 2 2 338.839 1.684 20 0 EDADLP COCCOC(=O)Nc1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000846668865 595296706 /nfs/dbraw/zinc/29/67/06/595296706.db2.gz OHLONHKWDLAQLB-AWEZNQCLSA-N 2 2 338.408 1.099 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000844219173 595305293 /nfs/dbraw/zinc/30/52/93/595305293.db2.gz GZNCWYOAWXOYOQ-UHFFFAOYSA-N 2 2 345.491 1.062 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000844219173 595305295 /nfs/dbraw/zinc/30/52/95/595305295.db2.gz GZNCWYOAWXOYOQ-UHFFFAOYSA-N 2 2 345.491 1.062 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844224626 595308685 /nfs/dbraw/zinc/30/86/85/595308685.db2.gz RTGZIFKBOWBGMK-KRWDZBQOSA-N 2 2 346.475 1.665 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844224626 595308688 /nfs/dbraw/zinc/30/86/88/595308688.db2.gz RTGZIFKBOWBGMK-KRWDZBQOSA-N 2 2 346.475 1.665 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000844455040 595345407 /nfs/dbraw/zinc/34/54/07/595345407.db2.gz UEFUPKQBDVCJLG-CALCHBBNSA-N 2 2 349.425 1.836 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000844455040 595345409 /nfs/dbraw/zinc/34/54/09/595345409.db2.gz UEFUPKQBDVCJLG-CALCHBBNSA-N 2 2 349.425 1.836 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000848531984 595403163 /nfs/dbraw/zinc/40/31/63/595403163.db2.gz YNYNIJMQYAQJMN-CVEARBPZSA-N 2 2 339.480 1.839 20 0 EDADLP C[C@@H]1CN(C(=[NH2+])NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000849094020 595480573 /nfs/dbraw/zinc/48/05/73/595480573.db2.gz UEJLTKLYTCKWGR-OAHLLOKOSA-N 2 2 349.454 1.193 20 0 EDADLP C[NH+](C)CCONC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000854947153 595540475 /nfs/dbraw/zinc/54/04/75/595540475.db2.gz IGLLHMFDJMPZPE-UHFFFAOYSA-N 2 2 345.403 1.135 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000855021033 595567423 /nfs/dbraw/zinc/56/74/23/595567423.db2.gz XVVSJDFZBRSFRB-DLBZAZTESA-N 2 2 340.427 1.454 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000855021033 595567428 /nfs/dbraw/zinc/56/74/28/595567428.db2.gz XVVSJDFZBRSFRB-DLBZAZTESA-N 2 2 340.427 1.454 20 0 EDADLP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)=NO1 ZINC000852855272 595577097 /nfs/dbraw/zinc/57/70/97/595577097.db2.gz YBBDYKUEMMPQFY-AWEZNQCLSA-N 2 2 336.823 1.088 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852918720 595614726 /nfs/dbraw/zinc/61/47/26/595614726.db2.gz FWNMWBUDOHSOTJ-LJQANCHMSA-N 2 2 342.487 1.229 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852918720 595614730 /nfs/dbraw/zinc/61/47/30/595614730.db2.gz FWNMWBUDOHSOTJ-LJQANCHMSA-N 2 2 342.487 1.229 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccns1 ZINC000858237563 595739875 /nfs/dbraw/zinc/73/98/75/595739875.db2.gz CKKQCOMWCKQMBL-STQMWFEESA-N 2 2 337.493 1.672 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccns1 ZINC000858237563 595739878 /nfs/dbraw/zinc/73/98/78/595739878.db2.gz CKKQCOMWCKQMBL-STQMWFEESA-N 2 2 337.493 1.672 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000858298147 595756974 /nfs/dbraw/zinc/75/69/74/595756974.db2.gz NKVSIGYGJMRJOI-RBSFLKMASA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000858298147 595756976 /nfs/dbraw/zinc/75/69/76/595756976.db2.gz NKVSIGYGJMRJOI-RBSFLKMASA-N 2 2 327.469 1.479 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](Cn2nccc2-c2ccncc2)CCO1 ZINC000853624558 595836601 /nfs/dbraw/zinc/83/66/01/595836601.db2.gz JVHWCXOGBJWXCH-KRWDZBQOSA-N 2 2 329.448 1.945 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cn2nccc2-c2ccncc2)CCO1 ZINC000853624558 595836604 /nfs/dbraw/zinc/83/66/04/595836604.db2.gz JVHWCXOGBJWXCH-KRWDZBQOSA-N 2 2 329.448 1.945 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000854222319 596006380 /nfs/dbraw/zinc/00/63/80/596006380.db2.gz FEAQSDNNASMDQN-TWMKSMIVSA-N 2 2 335.423 1.154 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000854259841 596017114 /nfs/dbraw/zinc/01/71/14/596017114.db2.gz PXBSDXKPGMQORM-IAGOWNOFSA-N 2 2 339.443 1.914 20 0 EDADLP OC[C@@]1([N@@H+](Cc2ccccc2)C[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000859294400 596037600 /nfs/dbraw/zinc/03/76/00/596037600.db2.gz SMSCAPZDXGCPJP-OALUTQOASA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@@]1([N@H+](Cc2ccccc2)C[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000859294400 596037604 /nfs/dbraw/zinc/03/76/04/596037604.db2.gz SMSCAPZDXGCPJP-OALUTQOASA-N 2 2 334.460 1.097 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)C1 ZINC000852123084 596050886 /nfs/dbraw/zinc/05/08/86/596050886.db2.gz FBRGEIPXGMXAIF-HNNXBMFYSA-N 2 2 340.464 1.295 20 0 EDADLP O=C1OCCN1[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000852442876 596165314 /nfs/dbraw/zinc/16/53/14/596165314.db2.gz MVASRYGMYUVPIA-SFHVURJKSA-N 2 2 345.443 1.545 20 0 EDADLP O=C1OCCN1[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000852442876 596165317 /nfs/dbraw/zinc/16/53/17/596165317.db2.gz MVASRYGMYUVPIA-SFHVURJKSA-N 2 2 345.443 1.545 20 0 EDADLP O=C(Cc1ccccc1)OCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852707741 596230914 /nfs/dbraw/zinc/23/09/14/596230914.db2.gz KCIBJKHDUVDWOW-GOSISDBHSA-N 2 2 332.444 1.303 20 0 EDADLP O=C(Cc1ccccc1)OCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852707741 596230916 /nfs/dbraw/zinc/23/09/16/596230916.db2.gz KCIBJKHDUVDWOW-GOSISDBHSA-N 2 2 332.444 1.303 20 0 EDADLP CN1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)Cc2ccc[nH+]c21 ZINC000868763058 596298572 /nfs/dbraw/zinc/29/85/72/596298572.db2.gz BSGYNLYPUTYLJU-HNNXBMFYSA-N 2 2 331.464 1.916 20 0 EDADLP CN1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)Cc2ccc[nH+]c21 ZINC000868763058 596298576 /nfs/dbraw/zinc/29/85/76/596298576.db2.gz BSGYNLYPUTYLJU-HNNXBMFYSA-N 2 2 331.464 1.916 20 0 EDADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868850052 596325867 /nfs/dbraw/zinc/32/58/67/596325867.db2.gz APBQNIDHKMNUBB-ARJAWSKDSA-N 2 2 337.489 1.527 20 0 EDADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000862531420 596340494 /nfs/dbraw/zinc/34/04/94/596340494.db2.gz GPZOEJFGUOYUMO-CHWSQXEVSA-N 2 2 349.422 1.287 20 0 EDADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000862531420 596340497 /nfs/dbraw/zinc/34/04/97/596340497.db2.gz GPZOEJFGUOYUMO-CHWSQXEVSA-N 2 2 349.422 1.287 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000864826129 596373307 /nfs/dbraw/zinc/37/33/07/596373307.db2.gz WDGRTWLSYDFZPY-QPJJXVBHSA-N 2 2 343.471 1.787 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870888298 596391475 /nfs/dbraw/zinc/39/14/75/596391475.db2.gz LSDDVFLPOBSHOZ-MDCZIUGASA-N 2 2 328.460 1.819 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000869104623 596410283 /nfs/dbraw/zinc/41/02/83/596410283.db2.gz LKEJSDHGTRAZBJ-MRXNPFEDSA-N 2 2 325.416 1.979 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000869104623 596410285 /nfs/dbraw/zinc/41/02/85/596410285.db2.gz LKEJSDHGTRAZBJ-MRXNPFEDSA-N 2 2 325.416 1.979 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CC(C)C)C2)c1 ZINC000870977445 596425199 /nfs/dbraw/zinc/42/51/99/596425199.db2.gz GICZQIXQIWXDKH-QZTJIDSGSA-N 2 2 333.476 1.685 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CC(C)C)C2)c1 ZINC000870977445 596425201 /nfs/dbraw/zinc/42/52/01/596425201.db2.gz GICZQIXQIWXDKH-QZTJIDSGSA-N 2 2 333.476 1.685 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCCCC[NH3+])C2)cc1 ZINC000870979008 596425825 /nfs/dbraw/zinc/42/58/25/596425825.db2.gz FSJZUFIKPLZERB-SFHVURJKSA-N 2 2 333.476 1.831 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CCCCC[NH3+])C2)cc1 ZINC000870979008 596425826 /nfs/dbraw/zinc/42/58/26/596425826.db2.gz FSJZUFIKPLZERB-SFHVURJKSA-N 2 2 333.476 1.831 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000870978697 596426032 /nfs/dbraw/zinc/42/60/32/596426032.db2.gz ACAWUDQAVZLZIL-MRXNPFEDSA-N 2 2 340.431 1.119 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000870978697 596426035 /nfs/dbraw/zinc/42/60/35/596426035.db2.gz ACAWUDQAVZLZIL-MRXNPFEDSA-N 2 2 340.431 1.119 20 0 EDADLP C[C@H](CNC(=O)Cc1cn2cc(F)ccc2[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869189685 596440536 /nfs/dbraw/zinc/44/05/36/596440536.db2.gz KZHUWTVMUYEXAU-MCIONIFRSA-N 2 2 348.422 1.630 20 0 EDADLP C[C@H](CNC(=O)Cc1cn2cc(F)ccc2[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869189685 596440537 /nfs/dbraw/zinc/44/05/37/596440537.db2.gz KZHUWTVMUYEXAU-MCIONIFRSA-N 2 2 348.422 1.630 20 0 EDADLP CN1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)Cc2ccc[nH+]c21 ZINC000871020757 596440761 /nfs/dbraw/zinc/44/07/61/596440761.db2.gz JIUQRTBKGBLNMK-UHFFFAOYSA-N 2 2 341.415 1.629 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000865060786 596459440 /nfs/dbraw/zinc/45/94/40/596459440.db2.gz SVGVLOABRGELIN-JKSUJKDBSA-N 2 2 326.400 1.670 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000865060786 596459445 /nfs/dbraw/zinc/45/94/45/596459445.db2.gz SVGVLOABRGELIN-JKSUJKDBSA-N 2 2 326.400 1.670 20 0 EDADLP C[C@@H]1C[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C[C@@H](C)C1(F)F ZINC000863273396 596535440 /nfs/dbraw/zinc/53/54/40/596535440.db2.gz CBCJLSMJBGXNFD-VXGBXAGGSA-N 2 2 344.406 1.183 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000871420666 596577107 /nfs/dbraw/zinc/57/71/07/596577107.db2.gz WULQGKYXMJKQIK-NVXWUHKLSA-N 2 2 344.459 1.361 20 0 EDADLP c1c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nnn1C[C@H]1CCOC1 ZINC000865462328 596582341 /nfs/dbraw/zinc/58/23/41/596582341.db2.gz KIRBDWBCYJVCQW-QAPCUYQASA-N 2 2 349.479 1.048 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000863546368 596613974 /nfs/dbraw/zinc/61/39/74/596613974.db2.gz BZSULUOLZOEXBB-CABCVRRESA-N 2 2 336.823 1.492 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000871545169 596623893 /nfs/dbraw/zinc/62/38/93/596623893.db2.gz FWOHFDNBZPEXBX-UKRRQHHQSA-N 2 2 339.480 1.249 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000871545169 596623895 /nfs/dbraw/zinc/62/38/95/596623895.db2.gz FWOHFDNBZPEXBX-UKRRQHHQSA-N 2 2 339.480 1.249 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000869784600 596636077 /nfs/dbraw/zinc/63/60/77/596636077.db2.gz UVZRSLGKNVYKRO-KRWDZBQOSA-N 2 2 342.443 1.506 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000869784600 596636079 /nfs/dbraw/zinc/63/60/79/596636079.db2.gz UVZRSLGKNVYKRO-KRWDZBQOSA-N 2 2 342.443 1.506 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000865655183 596639799 /nfs/dbraw/zinc/63/97/99/596639799.db2.gz ACVSTHDIYRJIBB-KRWDZBQOSA-N 2 2 331.460 1.514 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000865655183 596639802 /nfs/dbraw/zinc/63/98/02/596639802.db2.gz ACVSTHDIYRJIBB-KRWDZBQOSA-N 2 2 331.460 1.514 20 0 EDADLP COc1cc(C)[nH+]c(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863642092 596641514 /nfs/dbraw/zinc/64/15/14/596641514.db2.gz KANIECIDPZWQRF-SJORKVTESA-N 2 2 346.431 1.156 20 0 EDADLP CCOc1cc(C[N@H+](C)C[C@H](C)[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000863652951 596644519 /nfs/dbraw/zinc/64/45/19/596644519.db2.gz ZYQPGJUGUIOGDZ-KBPBESRZSA-N 2 2 337.464 1.720 20 0 EDADLP CCOc1cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000863652951 596644521 /nfs/dbraw/zinc/64/45/21/596644521.db2.gz ZYQPGJUGUIOGDZ-KBPBESRZSA-N 2 2 337.464 1.720 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000867997552 596647610 /nfs/dbraw/zinc/64/76/10/596647610.db2.gz GWFLYWZZSAKSFU-QZTJIDSGSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000867997552 596647617 /nfs/dbraw/zinc/64/76/17/596647617.db2.gz GWFLYWZZSAKSFU-QZTJIDSGSA-N 2 2 331.460 1.312 20 0 EDADLP C[C@@H]1CN(c2nc(N)[nH+]c(C3CCCC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000865710001 596657220 /nfs/dbraw/zinc/65/72/20/596657220.db2.gz CVOSKJNUVYEJCR-GFCCVEGCSA-N 2 2 334.468 1.393 20 0 EDADLP C[C@@H]1CN(c2nc(N)[nH+]c(C3CCCC3)n2)CC[N@H+]1CC(C)(C)O ZINC000865710001 596657222 /nfs/dbraw/zinc/65/72/22/596657222.db2.gz CVOSKJNUVYEJCR-GFCCVEGCSA-N 2 2 334.468 1.393 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000865715102 596658527 /nfs/dbraw/zinc/65/85/27/596658527.db2.gz JGDGLKCGIQHZPT-GNJLHFKMSA-N 2 2 343.471 1.608 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)/C=C\C[NH+]1CCOCC1 ZINC000865715102 596658529 /nfs/dbraw/zinc/65/85/29/596658529.db2.gz JGDGLKCGIQHZPT-GNJLHFKMSA-N 2 2 343.471 1.608 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000865791973 596685053 /nfs/dbraw/zinc/68/50/53/596685053.db2.gz NXGUDHIIQQYNEB-AWEZNQCLSA-N 2 2 347.438 1.158 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000865818183 596696253 /nfs/dbraw/zinc/69/62/53/596696253.db2.gz OREUOHVJEBLIPI-DZGCQCFKSA-N 2 2 337.489 1.352 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000865818183 596696255 /nfs/dbraw/zinc/69/62/55/596696255.db2.gz OREUOHVJEBLIPI-DZGCQCFKSA-N 2 2 337.489 1.352 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870124333 596761492 /nfs/dbraw/zinc/76/14/92/596761492.db2.gz YZBPLMOITOGVEV-QZTJIDSGSA-N 2 2 345.487 1.860 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H]4CC=CC[C@@H]4C3)C2)CC1 ZINC000868289343 596769002 /nfs/dbraw/zinc/76/90/02/596769002.db2.gz JVUAJFOCGDJYAX-BBWFWOEESA-N 2 2 332.492 1.763 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H]4CC=CC[C@@H]4C3)C2)CC1 ZINC000868289343 596769004 /nfs/dbraw/zinc/76/90/04/596769004.db2.gz JVUAJFOCGDJYAX-BBWFWOEESA-N 2 2 332.492 1.763 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c(N(C)C)[nH+]1 ZINC000868295212 596772831 /nfs/dbraw/zinc/77/28/31/596772831.db2.gz XLJRJTVBMWQXED-CYBMUJFWSA-N 2 2 347.463 1.289 20 0 EDADLP O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000866092514 596785705 /nfs/dbraw/zinc/78/57/05/596785705.db2.gz KLMVLNSMKYQKTN-CABCVRRESA-N 2 2 345.434 1.144 20 0 EDADLP O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000866092514 596785707 /nfs/dbraw/zinc/78/57/07/596785707.db2.gz KLMVLNSMKYQKTN-CABCVRRESA-N 2 2 345.434 1.144 20 0 EDADLP C[C@H](CCNC(=O)/C=C\C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000866291845 596849705 /nfs/dbraw/zinc/84/97/05/596849705.db2.gz JLNYCYNBRQGPKI-OTIVFRFGSA-N 2 2 345.487 1.902 20 0 EDADLP C[C@H](CCNC(=O)/C=C\C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000866291845 596849709 /nfs/dbraw/zinc/84/97/09/596849709.db2.gz JLNYCYNBRQGPKI-OTIVFRFGSA-N 2 2 345.487 1.902 20 0 EDADLP CCc1noc(CC)c1CC(=O)N1C[C@@H](c2cn(C)c[nH+]2)[C@H]([NH3+])C1 ZINC000864341267 596857261 /nfs/dbraw/zinc/85/72/61/596857261.db2.gz BREAGFAEEFAVID-CHWSQXEVSA-N 2 2 331.420 1.029 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000872280233 596865526 /nfs/dbraw/zinc/86/55/26/596865526.db2.gz QBHTZQSFMXIZFQ-ZMSDIMECSA-N 2 2 341.521 1.218 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000872307922 596876538 /nfs/dbraw/zinc/87/65/38/596876538.db2.gz OUUBZQHJHNNSSF-OKZBNKHCSA-N 2 2 346.475 1.306 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000872307922 596876540 /nfs/dbraw/zinc/87/65/40/596876540.db2.gz OUUBZQHJHNNSSF-OKZBNKHCSA-N 2 2 346.475 1.306 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[NH+]2CCCC2)[NH+]2CCOCC2)c1 ZINC000874007622 596896726 /nfs/dbraw/zinc/89/67/26/596896726.db2.gz GBAMZADIOHQFJK-SFHVURJKSA-N 2 2 331.460 1.580 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[NH+]3CCCC3)c[nH+]2)C[C@H](C)O1 ZINC000874041923 596905515 /nfs/dbraw/zinc/90/55/15/596905515.db2.gz MMFRGCHOPCYFMO-GJZGRUSLSA-N 2 2 332.448 1.407 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccns1 ZINC000875897711 597025968 /nfs/dbraw/zinc/02/59/68/597025968.db2.gz WNWVTLNXNUIXGP-ZDUSSCGKSA-N 2 2 339.509 1.872 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccns1 ZINC000875897711 597025971 /nfs/dbraw/zinc/02/59/71/597025971.db2.gz WNWVTLNXNUIXGP-ZDUSSCGKSA-N 2 2 339.509 1.872 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cn2cc[nH+]c12 ZINC000874370535 597044839 /nfs/dbraw/zinc/04/48/39/597044839.db2.gz ZOCAKMFCWBFTGT-LSDHHAIUSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cn2cc[nH+]c12 ZINC000874370535 597044842 /nfs/dbraw/zinc/04/48/42/597044842.db2.gz ZOCAKMFCWBFTGT-LSDHHAIUSA-N 2 2 341.415 1.276 20 0 EDADLP Cn1nc(Br)c2c1nc[nH+]c2NCCC[NH2+]C1CC1 ZINC000872777439 597064010 /nfs/dbraw/zinc/06/40/10/597064010.db2.gz AWLLSDTZVTVAAP-UHFFFAOYSA-N 2 2 325.214 1.680 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CCCS1 ZINC000876052820 597072867 /nfs/dbraw/zinc/07/28/67/597072867.db2.gz MUJVAMFDBORPJO-MRXNPFEDSA-N 2 2 342.553 1.940 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CCCS1 ZINC000876052820 597072869 /nfs/dbraw/zinc/07/28/69/597072869.db2.gz MUJVAMFDBORPJO-MRXNPFEDSA-N 2 2 342.553 1.940 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CCC(C)([NH+](C)C)CC2)[C@H](C)CO1 ZINC000876108311 597093500 /nfs/dbraw/zinc/09/35/00/597093500.db2.gz QNEAAEZBHJXRQS-RSIVFMTNSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CCC(C)([NH+](C)C)CC2)[C@H](C)CO1 ZINC000876108311 597093502 /nfs/dbraw/zinc/09/35/02/597093502.db2.gz QNEAAEZBHJXRQS-RSIVFMTNSA-N 2 2 340.512 1.658 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000874826872 597186220 /nfs/dbraw/zinc/18/62/20/597186220.db2.gz WYWLHPQFEGDYHF-JKSUJKDBSA-N 2 2 326.400 1.887 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000874826872 597186221 /nfs/dbraw/zinc/18/62/21/597186221.db2.gz WYWLHPQFEGDYHF-JKSUJKDBSA-N 2 2 326.400 1.887 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000874839436 597194079 /nfs/dbraw/zinc/19/40/79/597194079.db2.gz WFFHDJXSPFNEHI-OALUTQOASA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000874839436 597194082 /nfs/dbraw/zinc/19/40/82/597194082.db2.gz WFFHDJXSPFNEHI-OALUTQOASA-N 2 2 343.471 1.828 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000873209865 597228831 /nfs/dbraw/zinc/22/88/31/597228831.db2.gz USQMNZIIRFYMQI-CRAIPNDOSA-N 3 2 348.560 1.852 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000873209865 597228834 /nfs/dbraw/zinc/22/88/34/597228834.db2.gz USQMNZIIRFYMQI-CRAIPNDOSA-N 3 2 348.560 1.852 20 0 EDADLP Cc1cn2cc(NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)ccc2[nH+]1 ZINC000873307001 597252445 /nfs/dbraw/zinc/25/24/45/597252445.db2.gz FRXAYDFOXRFGAI-OAHLLOKOSA-N 2 2 343.431 1.923 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000876712159 597299447 /nfs/dbraw/zinc/29/94/47/597299447.db2.gz MRZCVDHYRNWXIV-AUAAOEEOSA-N 2 2 343.471 1.547 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H]3CSC[C@H]3C2)CC1 ZINC000875428675 597424749 /nfs/dbraw/zinc/42/47/49/597424749.db2.gz PTXNHIBKCZPRNI-HUUCEWRRSA-N 2 2 340.537 1.407 20 0 EDADLP CO[C@@H]1CC[C@@H](C)N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000875428649 597424768 /nfs/dbraw/zinc/42/47/68/597424768.db2.gz ORRXTVCTSVCRTR-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1[nH+]ccn1C ZINC000873898395 597439385 /nfs/dbraw/zinc/43/93/85/597439385.db2.gz PDJKDRXANMOOMI-KBXCAEBGSA-N 2 2 342.443 1.976 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000873898395 597439387 /nfs/dbraw/zinc/43/93/87/597439387.db2.gz PDJKDRXANMOOMI-KBXCAEBGSA-N 2 2 342.443 1.976 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000877187505 597455820 /nfs/dbraw/zinc/45/58/20/597455820.db2.gz VKPYRRUDAFXFMH-UHFFFAOYSA-N 2 2 331.464 1.114 20 0 EDADLP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(S(C)(=O)=O)o1)CC2 ZINC000877684727 597547514 /nfs/dbraw/zinc/54/75/14/597547514.db2.gz UXHGUPVTNHLYLB-UHFFFAOYSA-N 2 2 326.462 1.991 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)CC(C)(C)[NH+]1CCOCC1 ZINC000877765569 597553807 /nfs/dbraw/zinc/55/38/07/597553807.db2.gz DTJYVISJPAXUMC-UHFFFAOYSA-N 2 2 325.497 1.141 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1c1cc[nH+]cc1 ZINC000881632142 597665345 /nfs/dbraw/zinc/66/53/45/597665345.db2.gz KUEONIOUCPHDFG-GJZGRUSLSA-N 2 2 325.416 1.578 20 0 EDADLP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)no1 ZINC000883146549 597666751 /nfs/dbraw/zinc/66/67/51/597666751.db2.gz PYELUALEPPFSLO-UHFFFAOYSA-N 2 2 342.443 1.970 20 0 EDADLP C[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CCN1c1cc[nH+]cc1 ZINC000883174079 597676903 /nfs/dbraw/zinc/67/69/03/597676903.db2.gz AWRUGMCAJMTNCF-INIZCTEOSA-N 2 2 342.447 1.979 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878694555 597681686 /nfs/dbraw/zinc/68/16/86/597681686.db2.gz VFTLRCQIQBRNHU-MOPGFXCFSA-N 2 2 348.487 1.298 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCN1c1cc[nH+]cc1 ZINC000883587922 597815939 /nfs/dbraw/zinc/81/59/39/597815939.db2.gz WNYHSZNDEIJUCR-GJZGRUSLSA-N 2 2 340.431 1.513 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879215686 597852656 /nfs/dbraw/zinc/85/26/56/597852656.db2.gz WUPNNYXKLLQSIO-KFWWJZLASA-N 2 2 329.485 1.392 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879215686 597852659 /nfs/dbraw/zinc/85/26/59/597852659.db2.gz WUPNNYXKLLQSIO-KFWWJZLASA-N 2 2 329.485 1.392 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879215686 597852660 /nfs/dbraw/zinc/85/26/60/597852660.db2.gz WUPNNYXKLLQSIO-KFWWJZLASA-N 2 2 329.485 1.392 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879215686 597852663 /nfs/dbraw/zinc/85/26/63/597852663.db2.gz WUPNNYXKLLQSIO-KFWWJZLASA-N 2 2 329.485 1.392 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)CC1 ZINC000880191618 597870530 /nfs/dbraw/zinc/87/05/30/597870530.db2.gz LKYHRDCWEMQVFQ-OALUTQOASA-N 2 2 342.487 1.550 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)CC1 ZINC000880191618 597870532 /nfs/dbraw/zinc/87/05/32/597870532.db2.gz LKYHRDCWEMQVFQ-OALUTQOASA-N 2 2 342.487 1.550 20 0 EDADLP CC1([NH+]2CCC2)CC[NH+](CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000880474290 597940471 /nfs/dbraw/zinc/94/04/71/597940471.db2.gz XQZXPPCCQXCXDI-UHFFFAOYSA-N 2 2 343.471 1.936 20 0 EDADLP COC(=O)CN(C)C(=O)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568936 597966557 /nfs/dbraw/zinc/96/65/57/597966557.db2.gz HMDQJRFQXNDHOV-INIZCTEOSA-N 2 2 344.415 1.236 20 0 EDADLP O[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)COC1CCOCC1 ZINC000880571941 597967738 /nfs/dbraw/zinc/96/77/38/597967738.db2.gz WNZNWDUOGYTSPJ-MJGOQNOKSA-N 2 2 345.443 1.771 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884175190 598014931 /nfs/dbraw/zinc/01/49/31/598014931.db2.gz LDAGFJBEZGQYLZ-CYBMUJFWSA-N 2 2 326.238 1.613 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884184007 598017915 /nfs/dbraw/zinc/01/79/15/598017915.db2.gz CWMAMERAVBZTDW-HNNXBMFYSA-N 2 2 344.459 1.258 20 0 EDADLP [NH3+][C@H](CC1CC1)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000884218388 598032437 /nfs/dbraw/zinc/03/24/37/598032437.db2.gz NCJGRLXUNXSHON-QZTJIDSGSA-N 2 2 331.460 1.174 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)n1C ZINC000884219074 598032643 /nfs/dbraw/zinc/03/26/43/598032643.db2.gz HILBTVKGKNFTCK-HNNXBMFYSA-N 2 2 341.415 1.419 20 0 EDADLP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000884221275 598033442 /nfs/dbraw/zinc/03/34/42/598033442.db2.gz OGTCWAINZYUHKU-KRWDZBQOSA-N 2 2 327.428 1.999 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000914161164 695172814 /nfs/dbraw/zinc/17/28/14/695172814.db2.gz RYMYMNQSBOJNMU-LBPRGKRZSA-N 2 2 337.493 1.488 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000914161164 695172815 /nfs/dbraw/zinc/17/28/15/695172815.db2.gz RYMYMNQSBOJNMU-LBPRGKRZSA-N 2 2 337.493 1.488 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C)CC2)s1 ZINC000925406670 695336302 /nfs/dbraw/zinc/33/63/02/695336302.db2.gz PJDDNKUINXPDHU-AWEZNQCLSA-N 2 2 336.505 1.842 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C)CC2)s1 ZINC000925406670 695336306 /nfs/dbraw/zinc/33/63/06/695336306.db2.gz PJDDNKUINXPDHU-AWEZNQCLSA-N 2 2 336.505 1.842 20 0 EDADLP CCCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)o1 ZINC000939855942 699994474 /nfs/dbraw/zinc/99/44/74/699994474.db2.gz IUWGQCPTOALRJF-UKRRQHHQSA-N 2 2 345.447 1.769 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000939855312 699993460 /nfs/dbraw/zinc/99/34/60/699993460.db2.gz DJOHCYDDUFECRP-BLLLJJGKSA-N 2 2 340.387 1.056 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CCO1 ZINC000915827965 696034901 /nfs/dbraw/zinc/03/49/01/696034901.db2.gz KAYSECYCDFQEHN-NVXWUHKLSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CCO1 ZINC000915827965 696034903 /nfs/dbraw/zinc/03/49/03/696034903.db2.gz KAYSECYCDFQEHN-NVXWUHKLSA-N 2 2 349.479 1.094 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)sc1C ZINC001015705473 696596341 /nfs/dbraw/zinc/59/63/41/696596341.db2.gz LXEXMXFZOLYFSB-SWLSCSKDSA-N 2 2 336.505 1.792 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)sc1C ZINC001015705473 696596343 /nfs/dbraw/zinc/59/63/43/696596343.db2.gz LXEXMXFZOLYFSB-SWLSCSKDSA-N 2 2 336.505 1.792 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)sc1C ZINC001015705473 696596345 /nfs/dbraw/zinc/59/63/45/696596345.db2.gz LXEXMXFZOLYFSB-SWLSCSKDSA-N 2 2 336.505 1.792 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)sc1C ZINC001015705473 696596347 /nfs/dbraw/zinc/59/63/47/696596347.db2.gz LXEXMXFZOLYFSB-SWLSCSKDSA-N 2 2 336.505 1.792 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000916234157 696640227 /nfs/dbraw/zinc/64/02/27/696640227.db2.gz VNYGMPBASFMAFF-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000916234157 696640229 /nfs/dbraw/zinc/64/02/29/696640229.db2.gz VNYGMPBASFMAFF-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000916234157 696640231 /nfs/dbraw/zinc/64/02/31/696640231.db2.gz VNYGMPBASFMAFF-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000916234157 696640234 /nfs/dbraw/zinc/64/02/34/696640234.db2.gz VNYGMPBASFMAFF-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP Cc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994403282 696826059 /nfs/dbraw/zinc/82/60/59/696826059.db2.gz BQTCTROYHJDVHM-SJLPKXTDSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994403282 696826062 /nfs/dbraw/zinc/82/60/62/696826062.db2.gz BQTCTROYHJDVHM-SJLPKXTDSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1cccc(NCCNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000917008192 696874998 /nfs/dbraw/zinc/87/49/98/696874998.db2.gz YEZXWZXVVGLZRP-HUUCEWRRSA-N 2 2 335.452 1.210 20 0 EDADLP CCc1nocc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502994 696940524 /nfs/dbraw/zinc/94/05/24/696940524.db2.gz DWQHMCSVSWFGMA-BBRMVZONSA-N 2 2 331.420 1.603 20 0 EDADLP CCc1nocc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502994 696940525 /nfs/dbraw/zinc/94/05/25/696940525.db2.gz DWQHMCSVSWFGMA-BBRMVZONSA-N 2 2 331.420 1.603 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCc3ccccc3C)C2)C1 ZINC001031415559 697063342 /nfs/dbraw/zinc/06/33/42/697063342.db2.gz YOMCEWXUYFEYTB-IBGZPJMESA-N 2 2 345.487 1.449 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCc3ccccc3C)C2)C1 ZINC001031415559 697063343 /nfs/dbraw/zinc/06/33/43/697063343.db2.gz YOMCEWXUYFEYTB-IBGZPJMESA-N 2 2 345.487 1.449 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)C2)CC1 ZINC000918905406 697222181 /nfs/dbraw/zinc/22/21/81/697222181.db2.gz CZSQNNQOUSRZML-DFGXFYAUSA-N 2 2 348.491 1.045 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)C2)CC1 ZINC000918905406 697222183 /nfs/dbraw/zinc/22/21/83/697222183.db2.gz CZSQNNQOUSRZML-DFGXFYAUSA-N 2 2 348.491 1.045 20 0 EDADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000919726498 697324024 /nfs/dbraw/zinc/32/40/24/697324024.db2.gz LXTFVPBWNAZJOK-IRXDYDNUSA-N 2 2 340.512 1.326 20 0 EDADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000919726498 697324027 /nfs/dbraw/zinc/32/40/27/697324027.db2.gz LXTFVPBWNAZJOK-IRXDYDNUSA-N 2 2 340.512 1.326 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000920514672 697442078 /nfs/dbraw/zinc/44/20/78/697442078.db2.gz FRUBKFHXAHNFRO-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)cn1 ZINC001031669139 697464112 /nfs/dbraw/zinc/46/41/12/697464112.db2.gz YAVBOUAVNOLBAS-QZTJIDSGSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)cn1 ZINC001031669139 697464113 /nfs/dbraw/zinc/46/41/13/697464113.db2.gz YAVBOUAVNOLBAS-QZTJIDSGSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)ncn1 ZINC001031669303 697464487 /nfs/dbraw/zinc/46/44/87/697464487.db2.gz HDCOLSQOAALGSR-AEFFLSMTSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)ncn1 ZINC001031669303 697464489 /nfs/dbraw/zinc/46/44/89/697464489.db2.gz HDCOLSQOAALGSR-AEFFLSMTSA-N 2 2 343.475 1.207 20 0 EDADLP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001031679252 697496239 /nfs/dbraw/zinc/49/62/39/697496239.db2.gz PFNICWWIOONIQZ-BFYDXBDKSA-N 2 2 346.475 1.237 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940082896 700177036 /nfs/dbraw/zinc/17/70/36/700177036.db2.gz BRYUIBUNYGRTEY-UHFFFAOYSA-N 2 2 344.463 1.555 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)cc1 ZINC000943179748 697878009 /nfs/dbraw/zinc/87/80/09/697878009.db2.gz YXIXMDVIBXXGKZ-RDTXWAMCSA-N 2 2 342.443 1.988 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)cc1 ZINC000943179748 697878013 /nfs/dbraw/zinc/87/80/13/697878013.db2.gz YXIXMDVIBXXGKZ-RDTXWAMCSA-N 2 2 342.443 1.988 20 0 EDADLP Cc1ncsc1C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001031730827 698092889 /nfs/dbraw/zinc/09/28/89/698092889.db2.gz ZKMAYTRAQPXNMY-AWEZNQCLSA-N 2 2 345.472 1.774 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cncs3)C2)CC1 ZINC001032094657 698600318 /nfs/dbraw/zinc/60/03/18/698600318.db2.gz MWRHBLFKHKYCLL-UHFFFAOYSA-N 2 2 336.505 1.812 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)cc1 ZINC000943765422 698815070 /nfs/dbraw/zinc/81/50/70/698815070.db2.gz CWTQFXCRXIRQBZ-WMLDXEAASA-N 2 2 342.443 1.988 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)cc1 ZINC000943765422 698815074 /nfs/dbraw/zinc/81/50/74/698815074.db2.gz CWTQFXCRXIRQBZ-WMLDXEAASA-N 2 2 342.443 1.988 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)CC1 ZINC000943757010 698834502 /nfs/dbraw/zinc/83/45/02/698834502.db2.gz YWAPFYCFTRANLL-GOEBONIOSA-N 2 2 335.452 1.128 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)CC1 ZINC000943757010 698834505 /nfs/dbraw/zinc/83/45/05/698834505.db2.gz YWAPFYCFTRANLL-GOEBONIOSA-N 2 2 335.452 1.128 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001032117334 698994174 /nfs/dbraw/zinc/99/41/74/698994174.db2.gz BFTNOOKKENURKZ-GOSISDBHSA-N 2 2 347.507 1.623 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001032117334 698994175 /nfs/dbraw/zinc/99/41/75/698994175.db2.gz BFTNOOKKENURKZ-GOSISDBHSA-N 2 2 347.507 1.623 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000995153457 701558674 /nfs/dbraw/zinc/55/86/74/701558674.db2.gz PQJSPMGBVJQGLH-GXTWGEPZSA-N 2 2 343.431 1.892 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC001031765006 699050657 /nfs/dbraw/zinc/05/06/57/699050657.db2.gz RLPYILVKBSXWIF-UHFFFAOYSA-N 2 2 332.448 1.407 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)cn1 ZINC001031765944 699060543 /nfs/dbraw/zinc/06/05/43/699060543.db2.gz VYBRQLUUAUSWHX-QZTJIDSGSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)cn1 ZINC001031765944 699060547 /nfs/dbraw/zinc/06/05/47/699060547.db2.gz VYBRQLUUAUSWHX-QZTJIDSGSA-N 2 2 343.475 1.350 20 0 EDADLP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1)C1CCC1 ZINC001031784050 699213814 /nfs/dbraw/zinc/21/38/14/699213814.db2.gz LEVKCBSKBAMRQV-AEFFLSMTSA-N 2 2 346.475 1.309 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1C[NH+](CC[C@H]3CCCO3)C1)C2 ZINC001031787115 699241611 /nfs/dbraw/zinc/24/16/11/699241611.db2.gz BBSQAAYEFXXTOU-HZPDHXFCSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1C[NH+](CC[C@H]3CCCO3)C1)CC2 ZINC001031787115 699241613 /nfs/dbraw/zinc/24/16/13/699241613.db2.gz BBSQAAYEFXXTOU-HZPDHXFCSA-N 2 2 346.475 1.440 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939209526 699355888 /nfs/dbraw/zinc/35/58/88/699355888.db2.gz HAQPMFKJSMLOFV-ZBEGNZNMSA-N 2 2 334.370 1.867 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939210248 699357739 /nfs/dbraw/zinc/35/77/39/699357739.db2.gz MPKZQVLPHNNDQF-MEDUHNTESA-N 2 2 329.404 1.454 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000939210404 699357954 /nfs/dbraw/zinc/35/79/54/699357954.db2.gz NTKXQULEQSKFTH-SWLSCSKDSA-N 2 2 339.399 1.730 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939211431 699359460 /nfs/dbraw/zinc/35/94/60/699359460.db2.gz RSOPQLJVVDXSPB-SMDDNHRTSA-N 2 2 333.823 1.637 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031802294 699362248 /nfs/dbraw/zinc/36/22/48/699362248.db2.gz OYBUCJVKSHFAOC-GOSISDBHSA-N 2 2 348.466 1.889 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031802294 699362249 /nfs/dbraw/zinc/36/22/49/699362249.db2.gz OYBUCJVKSHFAOC-GOSISDBHSA-N 2 2 348.466 1.889 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939213874 699363867 /nfs/dbraw/zinc/36/38/67/699363867.db2.gz GPWKHKWJOWDXGI-SCLBCKFNSA-N 2 2 340.427 1.619 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)sn1 ZINC000939216455 699388630 /nfs/dbraw/zinc/38/86/30/699388630.db2.gz VYWVNGTZVZSHEX-GXFFZTMASA-N 2 2 335.433 1.054 20 0 EDADLP C[C@@H](CC(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1)n1cc[nH+]c1 ZINC000941587061 701591052 /nfs/dbraw/zinc/59/10/52/701591052.db2.gz JJQCPVACXQUPBF-INIZCTEOSA-N 2 2 345.491 1.463 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)n1 ZINC000939398715 699548142 /nfs/dbraw/zinc/54/81/42/699548142.db2.gz QUSXUIKACRPWGJ-LSDHHAIUSA-N 2 2 349.479 1.300 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939409150 699563513 /nfs/dbraw/zinc/56/35/13/699563513.db2.gz SFGLEHPIYFZQDB-IAQYHMDHSA-N 2 2 334.370 1.867 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1F ZINC000939409365 699563546 /nfs/dbraw/zinc/56/35/46/699563546.db2.gz TYGGEWRWCCHXNP-WFASDCNBSA-N 2 2 346.406 1.737 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939534441 699675594 /nfs/dbraw/zinc/67/55/94/699675594.db2.gz KEOISFODOGBLGV-PXAZEXFGSA-N 2 2 345.447 1.458 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000939536219 699677226 /nfs/dbraw/zinc/67/72/26/699677226.db2.gz UKLNQMUBCZHTGH-WMLDXEAASA-N 2 2 334.464 1.216 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939540839 699681848 /nfs/dbraw/zinc/68/18/48/699681848.db2.gz JWAXMSABXOZMDF-DZGCQCFKSA-N 2 2 344.463 1.100 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)o1 ZINC000939546159 699688089 /nfs/dbraw/zinc/68/80/89/699688089.db2.gz RAJFZKFTDXDRDC-KGLIPLIRSA-N 2 2 347.463 1.225 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1ncccn1 ZINC000939550625 699699948 /nfs/dbraw/zinc/69/99/48/699699948.db2.gz NDTQRIXXJKOFCA-UKRRQHHQSA-N 2 2 340.431 1.188 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCc2ccns2)[C@@H](C)C1 ZINC000939622913 699759927 /nfs/dbraw/zinc/75/99/27/699759927.db2.gz PMKZTBJDEOYDBS-NHYWBVRUSA-N 2 2 333.461 1.396 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)cs1 ZINC000939625699 699763267 /nfs/dbraw/zinc/76/32/67/699763267.db2.gz DOWLFHCBFMQIIU-BZNIZROVSA-N 2 2 347.488 1.705 20 0 EDADLP C[C@@H]1C[C@H](C[NH+]2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)CCO1 ZINC001031843643 699867972 /nfs/dbraw/zinc/86/79/72/699867972.db2.gz JXBOCMNDUCSXEG-HUUCEWRRSA-N 2 2 342.443 1.811 20 0 EDADLP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144058 700273120 /nfs/dbraw/zinc/27/31/20/700273120.db2.gz AMQVXRTVDOMZLY-UHFFFAOYSA-N 2 2 342.447 1.612 20 0 EDADLP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940144058 700273121 /nfs/dbraw/zinc/27/31/21/700273121.db2.gz AMQVXRTVDOMZLY-UHFFFAOYSA-N 2 2 342.447 1.612 20 0 EDADLP Cc1ccnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC000995167527 701637762 /nfs/dbraw/zinc/63/77/62/701637762.db2.gz JUEXEVCOEZGEIL-GJZGRUSLSA-N 2 2 342.447 1.136 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2ccon2)CC1)n1cc[nH+]c1 ZINC000940358714 700540380 /nfs/dbraw/zinc/54/03/80/700540380.db2.gz XGCWFCYJHZMKLP-AWEZNQCLSA-N 2 2 331.420 1.993 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940371614 700554163 /nfs/dbraw/zinc/55/41/63/700554163.db2.gz QJKQCZYJQODFEM-AWEZNQCLSA-N 2 2 344.463 1.493 20 0 EDADLP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000940426239 700619732 /nfs/dbraw/zinc/61/97/32/700619732.db2.gz LIKSUZJGJGBOOH-UHFFFAOYSA-N 2 2 346.435 1.550 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)on1 ZINC000940426269 700620012 /nfs/dbraw/zinc/62/00/12/700620012.db2.gz MMGBMXCVTQMPCI-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC000940426351 700620050 /nfs/dbraw/zinc/62/00/50/700620050.db2.gz RDHUYAFVSJFOPP-UHFFFAOYSA-N 2 2 344.463 1.350 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)nc1 ZINC000940426721 700620576 /nfs/dbraw/zinc/62/05/76/700620576.db2.gz ZGQKZTYNVOQHHA-UHFFFAOYSA-N 2 2 342.447 1.232 20 0 EDADLP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC000940483498 700671320 /nfs/dbraw/zinc/67/13/20/700671320.db2.gz GMXWURQPAJDMHT-UHFFFAOYSA-N 2 2 348.476 1.468 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC000940483235 700671333 /nfs/dbraw/zinc/67/13/33/700671333.db2.gz GAYFLMPLPXAJPF-UHFFFAOYSA-N 2 2 333.461 1.819 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)CCO1 ZINC000940483944 700671585 /nfs/dbraw/zinc/67/15/85/700671585.db2.gz RWJMYRHWQKIQOI-CVEARBPZSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1ncsc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995168914 701667452 /nfs/dbraw/zinc/66/74/52/701667452.db2.gz OEMLAPLKWBENNT-UONOGXRCSA-N 2 2 347.488 1.802 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cnon3)CC2(C)C)CC[N@@H+]1C ZINC000940756545 700892212 /nfs/dbraw/zinc/89/22/12/700892212.db2.gz BDHNSEBOHXVZOY-BPLDGKMQSA-N 2 2 335.452 1.127 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cnon3)CC2(C)C)CC[N@H+]1C ZINC000940756545 700892213 /nfs/dbraw/zinc/89/22/13/700892213.db2.gz BDHNSEBOHXVZOY-BPLDGKMQSA-N 2 2 335.452 1.127 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)CC2(C)C)CC[NH+]1C ZINC000940756545 700892215 /nfs/dbraw/zinc/89/22/15/700892215.db2.gz BDHNSEBOHXVZOY-BPLDGKMQSA-N 2 2 335.452 1.127 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)CC[NH+]1C ZINC000940756545 700892217 /nfs/dbraw/zinc/89/22/17/700892217.db2.gz BDHNSEBOHXVZOY-BPLDGKMQSA-N 2 2 335.452 1.127 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940837335 700934957 /nfs/dbraw/zinc/93/49/57/700934957.db2.gz RXCVKWZAIQLNOY-INIZCTEOSA-N 2 2 335.448 1.232 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940837335 700934958 /nfs/dbraw/zinc/93/49/58/700934958.db2.gz RXCVKWZAIQLNOY-INIZCTEOSA-N 2 2 335.448 1.232 20 0 EDADLP CCc1onc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995110679 701000809 /nfs/dbraw/zinc/00/08/09/701000809.db2.gz YULGZGUTZLMMMZ-ZIAGYGMSSA-N 2 2 345.447 1.886 20 0 EDADLP COc1ccnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000995117801 701060480 /nfs/dbraw/zinc/06/04/80/701060480.db2.gz QOLKRGLAONCDBB-KGLIPLIRSA-N 2 2 343.431 1.431 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC000995116807 701065935 /nfs/dbraw/zinc/06/59/35/701065935.db2.gz YMBSKKQOIUXLBO-UONOGXRCSA-N 2 2 346.435 1.464 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnn(C)n2)CC1(C)C ZINC000941033961 701077091 /nfs/dbraw/zinc/07/70/91/701077091.db2.gz YPZXMGBBIWKNGC-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnn(C)n2)CC1(C)C ZINC000941033961 701077093 /nfs/dbraw/zinc/07/70/93/701077093.db2.gz YPZXMGBBIWKNGC-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)n2)CC1(C)C ZINC000941033961 701077095 /nfs/dbraw/zinc/07/70/95/701077095.db2.gz YPZXMGBBIWKNGC-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)n2)CC1(C)C ZINC000941033961 701077098 /nfs/dbraw/zinc/07/70/98/701077098.db2.gz YPZXMGBBIWKNGC-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[N@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809922 701202907 /nfs/dbraw/zinc/20/29/07/701202907.db2.gz WDMZJTICUQPUDX-DOTOQJQBSA-N 2 2 334.464 1.526 20 0 EDADLP C[C@H]1C[N@@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809922 701202909 /nfs/dbraw/zinc/20/29/09/701202909.db2.gz WDMZJTICUQPUDX-DOTOQJQBSA-N 2 2 334.464 1.526 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941163989 701228990 /nfs/dbraw/zinc/22/89/90/701228990.db2.gz RDSIPVCTRAZWQA-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941163989 701228992 /nfs/dbraw/zinc/22/89/92/701228992.db2.gz RDSIPVCTRAZWQA-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941163989 701228994 /nfs/dbraw/zinc/22/89/94/701228994.db2.gz RDSIPVCTRAZWQA-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941163989 701228996 /nfs/dbraw/zinc/22/89/96/701228996.db2.gz RDSIPVCTRAZWQA-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941216154 701402448 /nfs/dbraw/zinc/40/24/48/701402448.db2.gz CJRIOUCBOMNDAX-HZPDHXFCSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941216154 701402449 /nfs/dbraw/zinc/40/24/49/701402449.db2.gz CJRIOUCBOMNDAX-HZPDHXFCSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941216154 701402450 /nfs/dbraw/zinc/40/24/50/701402450.db2.gz CJRIOUCBOMNDAX-HZPDHXFCSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941216154 701402451 /nfs/dbraw/zinc/40/24/51/701402451.db2.gz CJRIOUCBOMNDAX-HZPDHXFCSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941247489 701424561 /nfs/dbraw/zinc/42/45/61/701424561.db2.gz MNPSZSCYMKNIHV-INIZCTEOSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941247489 701424563 /nfs/dbraw/zinc/42/45/63/701424563.db2.gz MNPSZSCYMKNIHV-INIZCTEOSA-N 2 2 342.447 1.398 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941444096 701535704 /nfs/dbraw/zinc/53/57/04/701535704.db2.gz DWRHWWBKRQCWGI-IAGOWNOFSA-N 2 2 343.475 1.142 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)ncn1 ZINC000995151395 701545266 /nfs/dbraw/zinc/54/52/66/701545266.db2.gz HTBDYGSUWJYQHL-UONOGXRCSA-N 2 2 328.420 1.125 20 0 EDADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129238 701814665 /nfs/dbraw/zinc/81/46/65/701814665.db2.gz UIGLHIILOGQQHC-CVEARBPZSA-N 2 2 333.480 1.089 20 0 EDADLP O=C(NCC1C[NH+](Cc2nc3ccccc3o2)C1)C12CC[NH+](CC1)C2 ZINC001032129989 701831281 /nfs/dbraw/zinc/83/12/81/701831281.db2.gz CHFWOZBOIOSQNU-UHFFFAOYSA-N 2 2 340.427 1.472 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000995744628 701953933 /nfs/dbraw/zinc/95/39/33/701953933.db2.gz HVAHHTAJPAUKRL-HUUCEWRRSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)C1 ZINC000995748357 701963133 /nfs/dbraw/zinc/96/31/33/701963133.db2.gz RYTHTYMSCXYJIW-HUUCEWRRSA-N 2 2 348.491 1.984 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)oc1C ZINC000995181593 702036464 /nfs/dbraw/zinc/03/64/64/702036464.db2.gz IBQIVXBPLPCQTR-CABCVRRESA-N 2 2 345.447 1.940 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)oc1C ZINC000995181597 702036484 /nfs/dbraw/zinc/03/64/84/702036484.db2.gz IBQIVXBPLPCQTR-HUUCEWRRSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C[C@@H]1C ZINC000944447063 702038870 /nfs/dbraw/zinc/03/88/70/702038870.db2.gz XDLQIOMZDKDLMD-WMLDXEAASA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cncc(C)c2)C[C@@H]1C ZINC000944447063 702038878 /nfs/dbraw/zinc/03/88/78/702038878.db2.gz XDLQIOMZDKDLMD-WMLDXEAASA-N 2 2 341.459 1.991 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995827339 702100629 /nfs/dbraw/zinc/10/06/29/702100629.db2.gz UYBYCPGBNIHWLR-BNOWGMLFSA-N 2 2 335.452 1.045 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995827339 702100630 /nfs/dbraw/zinc/10/06/30/702100630.db2.gz UYBYCPGBNIHWLR-BNOWGMLFSA-N 2 2 335.452 1.045 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cscn2)C1 ZINC000995185476 702126757 /nfs/dbraw/zinc/12/67/57/702126757.db2.gz OHJVHLGVHWLCNF-CHWSQXEVSA-N 2 2 333.461 1.792 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1)[NH+](C)C ZINC000995923612 702248504 /nfs/dbraw/zinc/24/85/04/702248504.db2.gz IAKVWFSCKIVXQM-KBPBESRZSA-N 2 2 339.509 1.451 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099196 702269236 /nfs/dbraw/zinc/26/92/36/702269236.db2.gz PSUCNYFHUHFIHE-DYVFJYSZSA-N 2 2 345.422 1.524 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099196 702269241 /nfs/dbraw/zinc/26/92/41/702269241.db2.gz PSUCNYFHUHFIHE-DYVFJYSZSA-N 2 2 345.422 1.524 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995965476 702311159 /nfs/dbraw/zinc/31/11/59/702311159.db2.gz CFZHVGNJUHLNBJ-ZIAGYGMSSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995965476 702311167 /nfs/dbraw/zinc/31/11/67/702311167.db2.gz CFZHVGNJUHLNBJ-ZIAGYGMSSA-N 2 2 335.452 1.189 20 0 EDADLP CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)CC1 ZINC001040947485 702540456 /nfs/dbraw/zinc/54/04/56/702540456.db2.gz ZPLCHMHZBLJQMZ-QGZVFWFLSA-N 2 2 335.492 1.432 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)o1 ZINC000996301485 702693335 /nfs/dbraw/zinc/69/33/35/702693335.db2.gz UFPLUXLZBICNST-GXTWGEPZSA-N 2 2 335.452 1.189 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000996355392 702733155 /nfs/dbraw/zinc/73/31/55/702733155.db2.gz LNWKJCBKTSRSMC-HNNXBMFYSA-N 2 2 331.395 1.513 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC000996565101 702886486 /nfs/dbraw/zinc/88/64/86/702886486.db2.gz XAYMKNXKVHIHLP-HOCLYGCPSA-N 2 2 348.491 1.902 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000995242743 702918491 /nfs/dbraw/zinc/91/84/91/702918491.db2.gz HETOPDOXHBOIOG-UKRRQHHQSA-N 2 2 343.431 1.823 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996610061 702921126 /nfs/dbraw/zinc/92/11/26/702921126.db2.gz JGLVMKDGUFXPNB-UONOGXRCSA-N 2 2 349.479 1.471 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996610061 702921127 /nfs/dbraw/zinc/92/11/27/702921127.db2.gz JGLVMKDGUFXPNB-UONOGXRCSA-N 2 2 349.479 1.471 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)c1cnccn1 ZINC000996652032 702941499 /nfs/dbraw/zinc/94/14/99/702941499.db2.gz SMDUWPCLQOPFIK-ZDUSSCGKSA-N 2 2 328.420 1.474 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)c1cnccn1 ZINC000996652032 702941502 /nfs/dbraw/zinc/94/15/02/702941502.db2.gz SMDUWPCLQOPFIK-ZDUSSCGKSA-N 2 2 328.420 1.474 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000995250860 702974797 /nfs/dbraw/zinc/97/47/97/702974797.db2.gz OQIMMEGUROXPBP-UONOGXRCSA-N 2 2 345.451 1.199 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995251658 702979734 /nfs/dbraw/zinc/97/97/34/702979734.db2.gz PZMVPERBHBMGRP-LSDHHAIUSA-N 2 2 345.451 1.130 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996684393 702982100 /nfs/dbraw/zinc/98/21/00/702982100.db2.gz LUNAFNVLJHHXBP-NUEKZKHPSA-N 2 2 332.448 1.520 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996684393 702982103 /nfs/dbraw/zinc/98/21/03/702982103.db2.gz LUNAFNVLJHHXBP-NUEKZKHPSA-N 2 2 332.448 1.520 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)c1cnccn1 ZINC000996686258 702982498 /nfs/dbraw/zinc/98/24/98/702982498.db2.gz VMJKXKMMWCJFHA-NWANDNLSSA-N 2 2 340.431 1.645 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)c1cnccn1 ZINC000996686258 702982500 /nfs/dbraw/zinc/98/25/00/702982500.db2.gz VMJKXKMMWCJFHA-NWANDNLSSA-N 2 2 340.431 1.645 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)s1 ZINC000996711165 703006113 /nfs/dbraw/zinc/00/61/13/703006113.db2.gz BQPDGJGITMILER-ZDUSSCGKSA-N 2 2 333.461 1.675 20 0 EDADLP CCc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)cs1 ZINC000996711939 703006729 /nfs/dbraw/zinc/00/67/29/703006729.db2.gz CSGBTQRTNUAACL-CQSZACIVSA-N 2 2 347.488 1.929 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C[C@H]1C ZINC000942518188 703012727 /nfs/dbraw/zinc/01/27/27/703012727.db2.gz NXTVJCLFGUNRQL-CXAGYDPISA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C[C@H]1C ZINC000942518188 703012729 /nfs/dbraw/zinc/01/27/29/703012729.db2.gz NXTVJCLFGUNRQL-CXAGYDPISA-N 2 2 342.447 1.317 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996763630 703056108 /nfs/dbraw/zinc/05/61/08/703056108.db2.gz YRDKRAYNXVFRCA-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555343 703068964 /nfs/dbraw/zinc/06/89/64/703068964.db2.gz JBZSEGRMWPEBES-GDBMZVCRSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555343 703068966 /nfs/dbraw/zinc/06/89/66/703068966.db2.gz JBZSEGRMWPEBES-GDBMZVCRSA-N 2 2 334.464 1.876 20 0 EDADLP CCC[NH+]1CCN(C2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC000996781254 703069260 /nfs/dbraw/zinc/06/92/60/703069260.db2.gz FDLDQWLOCYHVKG-UHFFFAOYSA-N 2 2 347.507 1.647 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996829905 703119099 /nfs/dbraw/zinc/11/90/99/703119099.db2.gz HWSCLXLERSTOFK-OCCSQVGLSA-N 2 2 344.381 1.979 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996829905 703119100 /nfs/dbraw/zinc/11/91/00/703119100.db2.gz HWSCLXLERSTOFK-OCCSQVGLSA-N 2 2 344.381 1.979 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)nn1C ZINC000996857377 703141797 /nfs/dbraw/zinc/14/17/97/703141797.db2.gz ATCIXOGCVVYSPE-UHFFFAOYSA-N 2 2 330.436 1.096 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032044105 703234453 /nfs/dbraw/zinc/23/44/53/703234453.db2.gz PXMILLVBIWCPAF-ROUUACIJSA-N 2 2 346.450 1.786 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032044105 703234456 /nfs/dbraw/zinc/23/44/56/703234456.db2.gz PXMILLVBIWCPAF-ROUUACIJSA-N 2 2 346.450 1.786 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997016578 703275095 /nfs/dbraw/zinc/27/50/95/703275095.db2.gz MQSDMBDGZUVUHD-HZPDHXFCSA-N 2 2 342.447 1.038 20 0 EDADLP COc1ncccc1C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997041518 703291732 /nfs/dbraw/zinc/29/17/32/703291732.db2.gz LFAUOFYVARGSJP-UHFFFAOYSA-N 2 2 329.404 1.137 20 0 EDADLP CCOc1cccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000997042248 703292389 /nfs/dbraw/zinc/29/23/89/703292389.db2.gz OIFCTZKHEPFCKQ-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC000997045301 703294121 /nfs/dbraw/zinc/29/41/21/703294121.db2.gz LKZIFYFGFRKDBD-CVEARBPZSA-N 2 2 334.464 1.841 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997084070 703322346 /nfs/dbraw/zinc/32/23/46/703322346.db2.gz KRZMAVMRKOYNJU-GJZGRUSLSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997084070 703322348 /nfs/dbraw/zinc/32/23/48/703322348.db2.gz KRZMAVMRKOYNJU-GJZGRUSLSA-N 2 2 334.464 1.596 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)on1 ZINC000997085658 703331175 /nfs/dbraw/zinc/33/11/75/703331175.db2.gz PUYMVFGGRKVDFF-LBPRGKRZSA-N 2 2 347.419 1.366 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000997121657 703378124 /nfs/dbraw/zinc/37/81/24/703378124.db2.gz ZYNKFLQZAJBMKU-MRXNPFEDSA-N 2 2 328.416 1.266 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c(C)s1 ZINC000997121356 703378604 /nfs/dbraw/zinc/37/86/04/703378604.db2.gz WWDTZQNNXABMPP-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001032407100 703432344 /nfs/dbraw/zinc/43/23/44/703432344.db2.gz BYJOGPCPXVHBGI-GBESFXJTSA-N 2 2 340.471 1.517 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001032407100 703432346 /nfs/dbraw/zinc/43/23/46/703432346.db2.gz BYJOGPCPXVHBGI-GBESFXJTSA-N 2 2 340.471 1.517 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(F)c2)CC[N@@H+]1C ZINC001032411203 703442911 /nfs/dbraw/zinc/44/29/11/703442911.db2.gz IDUPDHYIXQWKLR-XFKAJCMBSA-N 2 2 331.435 1.951 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(F)c2)CC[N@H+]1C ZINC001032411203 703442912 /nfs/dbraw/zinc/44/29/12/703442912.db2.gz IDUPDHYIXQWKLR-XFKAJCMBSA-N 2 2 331.435 1.951 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(F)c2)CC[NH+]1C ZINC001032411203 703442914 /nfs/dbraw/zinc/44/29/14/703442914.db2.gz IDUPDHYIXQWKLR-XFKAJCMBSA-N 2 2 331.435 1.951 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(F)c2)CC[NH+]1C ZINC001032411203 703442916 /nfs/dbraw/zinc/44/29/16/703442916.db2.gz IDUPDHYIXQWKLR-XFKAJCMBSA-N 2 2 331.435 1.951 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000997179829 703469922 /nfs/dbraw/zinc/46/99/22/703469922.db2.gz KBWYKHSJXCGLTC-GOSISDBHSA-N 2 2 342.443 1.277 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997180800 703471132 /nfs/dbraw/zinc/47/11/32/703471132.db2.gz NJESESKSWHWMSE-CJNGLKHVSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997180800 703471135 /nfs/dbraw/zinc/47/11/35/703471135.db2.gz NJESESKSWHWMSE-CJNGLKHVSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000997220999 703499315 /nfs/dbraw/zinc/49/93/15/703499315.db2.gz HZRABAGJFNFDCH-UHFFFAOYSA-N 2 2 328.420 1.140 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997236301 703523375 /nfs/dbraw/zinc/52/33/75/703523375.db2.gz KNTGNMBKIJAERW-UHFFFAOYSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)cs1 ZINC000997237912 703524632 /nfs/dbraw/zinc/52/46/32/703524632.db2.gz RBQFKMKUEWQDBM-UHFFFAOYSA-N 2 2 347.488 1.898 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CCCO)CC1 ZINC000997304715 703564143 /nfs/dbraw/zinc/56/41/43/703564143.db2.gz ZPXGUMLWZWXRLD-FVQBIDKESA-N 2 2 334.464 1.123 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)no1 ZINC000997306673 703565238 /nfs/dbraw/zinc/56/52/38/703565238.db2.gz HWFLXBNVMAIOMP-UHFFFAOYSA-N 2 2 335.452 1.369 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cnn(C)c1 ZINC001032444626 703621853 /nfs/dbraw/zinc/62/18/53/703621853.db2.gz GPXZMZVLYKNABW-BZSNNMDCSA-N 2 2 345.491 1.468 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cnn(C)c1 ZINC001032444626 703621854 /nfs/dbraw/zinc/62/18/54/703621854.db2.gz GPXZMZVLYKNABW-BZSNNMDCSA-N 2 2 345.491 1.468 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnn(C)c1 ZINC001032444626 703621855 /nfs/dbraw/zinc/62/18/55/703621855.db2.gz GPXZMZVLYKNABW-BZSNNMDCSA-N 2 2 345.491 1.468 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnn(C)c1 ZINC001032444626 703621856 /nfs/dbraw/zinc/62/18/56/703621856.db2.gz GPXZMZVLYKNABW-BZSNNMDCSA-N 2 2 345.491 1.468 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCOC2)no1 ZINC001032488844 703764023 /nfs/dbraw/zinc/76/40/23/703764023.db2.gz ITSCBSNVEIPQLZ-ILXRZTDVSA-N 2 2 348.447 1.062 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCOC2)no1 ZINC001032488844 703764024 /nfs/dbraw/zinc/76/40/24/703764024.db2.gz ITSCBSNVEIPQLZ-ILXRZTDVSA-N 2 2 348.447 1.062 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2ccc[nH+]c2N)CC1=O ZINC000922665093 704215882 /nfs/dbraw/zinc/21/58/82/704215882.db2.gz YELIIRVMYDBLDO-GJZGRUSLSA-N 2 2 346.431 1.040 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCc2ccc[nH+]c2N)CC1=O ZINC000922665093 704215883 /nfs/dbraw/zinc/21/58/83/704215883.db2.gz YELIIRVMYDBLDO-GJZGRUSLSA-N 2 2 346.431 1.040 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NCc2ccc3c[nH+]cn3c2)n1 ZINC000922835688 704401400 /nfs/dbraw/zinc/40/14/00/704401400.db2.gz ZEJBBBBSSHBORX-UHFFFAOYSA-N 2 2 344.444 1.852 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004459280 704452551 /nfs/dbraw/zinc/45/25/51/704452551.db2.gz PFHKUZLIFAITLO-YOEHRIQHSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004459280 704452552 /nfs/dbraw/zinc/45/25/52/704452552.db2.gz PFHKUZLIFAITLO-YOEHRIQHSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004459280 704452553 /nfs/dbraw/zinc/45/25/53/704452553.db2.gz PFHKUZLIFAITLO-YOEHRIQHSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004459280 704452554 /nfs/dbraw/zinc/45/25/54/704452554.db2.gz PFHKUZLIFAITLO-YOEHRIQHSA-N 2 2 334.464 1.426 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997912030 704959404 /nfs/dbraw/zinc/95/94/04/704959404.db2.gz ZQDDMUISLPUMCF-INIZCTEOSA-N 2 2 342.443 1.813 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cs1 ZINC000998118138 705367662 /nfs/dbraw/zinc/36/76/62/705367662.db2.gz DOIJWMJCADWYJH-UHFFFAOYSA-N 2 2 333.461 1.746 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)c1csnn1 ZINC000998120086 705378926 /nfs/dbraw/zinc/37/89/26/705378926.db2.gz PFJAUPWFKYFFHY-NSHDSACASA-N 2 2 334.449 1.393 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]Cc2ccon2)CC1)n1cc[nH+]c1 ZINC000998126859 705385343 /nfs/dbraw/zinc/38/53/43/705385343.db2.gz MSNFZNUXZFJETG-AWEZNQCLSA-N 2 2 331.420 1.851 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000998222779 705549049 /nfs/dbraw/zinc/54/90/49/705549049.db2.gz MCRJTVAFELFKRL-KRWDZBQOSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)no1 ZINC000998224136 705553128 /nfs/dbraw/zinc/55/31/28/705553128.db2.gz YGOPOPJLXYZDHP-UHFFFAOYSA-N 2 2 331.420 1.287 20 0 EDADLP CCc1nocc1C[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000998243746 705583218 /nfs/dbraw/zinc/58/32/18/705583218.db2.gz IDYVQOWWHGFQNA-UHFFFAOYSA-N 2 2 345.447 1.839 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)O1 ZINC000998253855 705612911 /nfs/dbraw/zinc/61/29/11/705612911.db2.gz KDZPYMBYTCGIGD-YJBOKZPZSA-N 2 2 348.491 1.748 20 0 EDADLP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC000998298385 705701902 /nfs/dbraw/zinc/70/19/02/705701902.db2.gz WZQNEKZYBRZNAY-UHFFFAOYSA-N 2 2 345.451 1.153 20 0 EDADLP CC[C@H]([NH2+]C1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1)C(N)=O ZINC000998768947 706208738 /nfs/dbraw/zinc/20/87/38/706208738.db2.gz GLOWPZBSZXYVOR-NRXISQOPSA-N 2 2 343.431 1.099 20 0 EDADLP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000999006820 706426180 /nfs/dbraw/zinc/42/61/80/706426180.db2.gz FWGAIQSEBPOLAY-JEYLPNPQSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999033971 706447736 /nfs/dbraw/zinc/44/77/36/706447736.db2.gz AQKZHCLHVMNATI-MRXNPFEDSA-N 2 2 327.432 1.827 20 0 EDADLP CC(C)(C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1)[NH+]1CCCCC1 ZINC000999151775 706580584 /nfs/dbraw/zinc/58/05/84/706580584.db2.gz ICADRDMSWKVLQW-INIZCTEOSA-N 2 2 345.491 1.822 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC000999345810 706857336 /nfs/dbraw/zinc/85/73/36/706857336.db2.gz BANZNPOSKRSCMI-CVEARBPZSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC000999345810 706857337 /nfs/dbraw/zinc/85/73/37/706857337.db2.gz BANZNPOSKRSCMI-CVEARBPZSA-N 2 2 349.479 1.437 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999399219 706893978 /nfs/dbraw/zinc/89/39/78/706893978.db2.gz GBSNCIBGNVTZOE-UKRRQHHQSA-N 2 2 337.493 1.493 20 0 EDADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999399219 706893980 /nfs/dbraw/zinc/89/39/80/706893980.db2.gz GBSNCIBGNVTZOE-UKRRQHHQSA-N 2 2 337.493 1.493 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC000999470166 706979234 /nfs/dbraw/zinc/97/92/34/706979234.db2.gz SIQUHXALWXXTHM-UHFFFAOYSA-N 2 2 345.451 1.078 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999550271 707049479 /nfs/dbraw/zinc/04/94/79/707049479.db2.gz VNDDWJCUVJHDFF-KBPBESRZSA-N 2 2 345.472 1.683 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]2CC1 ZINC000946703868 707170021 /nfs/dbraw/zinc/17/00/21/707170021.db2.gz JKRGNXPNRIIUTM-GASCZTMLSA-N 2 2 344.419 1.027 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](Cc3cnon3)C[C@H]2CC1 ZINC000946703868 707170023 /nfs/dbraw/zinc/17/00/23/707170023.db2.gz JKRGNXPNRIIUTM-GASCZTMLSA-N 2 2 344.419 1.027 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946776741 707211759 /nfs/dbraw/zinc/21/17/59/707211759.db2.gz SDSYRUPUZAQQLA-OWCLPIDISA-N 2 2 346.475 1.382 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946776741 707211762 /nfs/dbraw/zinc/21/17/62/707211762.db2.gz SDSYRUPUZAQQLA-OWCLPIDISA-N 2 2 346.475 1.382 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000999698034 707224204 /nfs/dbraw/zinc/22/42/04/707224204.db2.gz PAVAYDBENOREJX-UHFFFAOYSA-N 2 2 327.432 1.862 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999725655 707267117 /nfs/dbraw/zinc/26/71/17/707267117.db2.gz MPCXZEMXOWRKRG-GXTWGEPZSA-N 2 2 332.408 1.225 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999796373 707367951 /nfs/dbraw/zinc/36/79/51/707367951.db2.gz DFZQKCKMKINKKZ-MOPGFXCFSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999796373 707367957 /nfs/dbraw/zinc/36/79/57/707367957.db2.gz DFZQKCKMKINKKZ-MOPGFXCFSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999797838 707368861 /nfs/dbraw/zinc/36/88/61/707368861.db2.gz HMSQBKKTGGPWKY-JKSUJKDBSA-N 2 2 327.444 1.037 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999797838 707368863 /nfs/dbraw/zinc/36/88/63/707368863.db2.gz HMSQBKKTGGPWKY-JKSUJKDBSA-N 2 2 327.444 1.037 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)on1 ZINC000999840318 707413150 /nfs/dbraw/zinc/41/31/50/707413150.db2.gz DBJOIYRUZGVREY-ZDUSSCGKSA-N 2 2 333.392 1.051 20 0 EDADLP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033294748 707419868 /nfs/dbraw/zinc/41/98/68/707419868.db2.gz DIYSYHZRSNKAOE-AEFFLSMTSA-N 2 2 345.491 1.327 20 0 EDADLP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033294748 707419869 /nfs/dbraw/zinc/41/98/69/707419869.db2.gz DIYSYHZRSNKAOE-AEFFLSMTSA-N 2 2 345.491 1.327 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)no1 ZINC000999828937 707457820 /nfs/dbraw/zinc/45/78/20/707457820.db2.gz HJTLNMPBFMUMBY-HSBZDZAISA-N 2 2 335.452 1.224 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)no1 ZINC000999828937 707457823 /nfs/dbraw/zinc/45/78/23/707457823.db2.gz HJTLNMPBFMUMBY-HSBZDZAISA-N 2 2 335.452 1.224 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033198448 707461025 /nfs/dbraw/zinc/46/10/25/707461025.db2.gz LOLJHKWRVYQBCB-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033198448 707461026 /nfs/dbraw/zinc/46/10/26/707461026.db2.gz LOLJHKWRVYQBCB-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033198448 707461029 /nfs/dbraw/zinc/46/10/29/707461029.db2.gz LOLJHKWRVYQBCB-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033198448 707461031 /nfs/dbraw/zinc/46/10/31/707461031.db2.gz LOLJHKWRVYQBCB-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)cs1 ZINC000999836278 707471634 /nfs/dbraw/zinc/47/16/34/707471634.db2.gz KFOYQOOGVOWMLH-UHFFFAOYSA-N 2 2 347.488 1.990 20 0 EDADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033308215 707472820 /nfs/dbraw/zinc/47/28/20/707472820.db2.gz FHUJAZLPBAGXQJ-RHSMWYFYSA-N 2 2 328.416 1.399 20 0 EDADLP CC(C)(C(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1)[NH+]1CCCC1 ZINC000999871776 707514914 /nfs/dbraw/zinc/51/49/14/707514914.db2.gz MFYBHAFXAXVJKP-CYBMUJFWSA-N 2 2 337.493 1.493 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815747 707565439 /nfs/dbraw/zinc/56/54/39/707565439.db2.gz MUCCBFUTQFSOAR-TWMKSMIVSA-N 2 2 348.491 1.794 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815747 707565441 /nfs/dbraw/zinc/56/54/41/707565441.db2.gz MUCCBFUTQFSOAR-TWMKSMIVSA-N 2 2 348.491 1.794 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815747 707565443 /nfs/dbraw/zinc/56/54/43/707565443.db2.gz MUCCBFUTQFSOAR-TWMKSMIVSA-N 2 2 348.491 1.794 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815747 707565444 /nfs/dbraw/zinc/56/54/44/707565444.db2.gz MUCCBFUTQFSOAR-TWMKSMIVSA-N 2 2 348.491 1.794 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3occc3C[NH+](C)C)C2)on1 ZINC001033366619 707662920 /nfs/dbraw/zinc/66/29/20/707662920.db2.gz ULXKGPZGCOMWKR-HNNXBMFYSA-N 2 2 346.431 1.984 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3occc3C[NH+](C)C)C2)on1 ZINC001033366619 707662924 /nfs/dbraw/zinc/66/29/24/707662924.db2.gz ULXKGPZGCOMWKR-HNNXBMFYSA-N 2 2 346.431 1.984 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033359716 707686832 /nfs/dbraw/zinc/68/68/32/707686832.db2.gz BBASIKMDPVWTIO-ROUUACIJSA-N 2 2 335.492 1.573 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033359716 707686835 /nfs/dbraw/zinc/68/68/35/707686835.db2.gz BBASIKMDPVWTIO-ROUUACIJSA-N 2 2 335.492 1.573 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033359716 707686838 /nfs/dbraw/zinc/68/68/38/707686838.db2.gz BBASIKMDPVWTIO-ROUUACIJSA-N 2 2 335.492 1.573 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033359716 707686841 /nfs/dbraw/zinc/68/68/41/707686841.db2.gz BBASIKMDPVWTIO-ROUUACIJSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004944671 707692612 /nfs/dbraw/zinc/69/26/12/707692612.db2.gz HDKIFLJBRHBSSH-BBRMVZONSA-N 2 2 330.436 1.245 20 0 EDADLP C[C@H]([NH2+]Cc1ccccn1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004945214 707714592 /nfs/dbraw/zinc/71/45/92/707714592.db2.gz JLEPTBWFCXGROZ-YOEHRIQHSA-N 2 2 327.432 1.907 20 0 EDADLP CCn1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001004952419 707736001 /nfs/dbraw/zinc/73/60/01/707736001.db2.gz HYUPYQOGLFSROJ-PBHICJAKSA-N 2 2 344.463 1.728 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1)c1c[nH+]c[nH]1 ZINC001032732246 707736855 /nfs/dbraw/zinc/73/68/55/707736855.db2.gz WZAQDQCNXQMNCC-GJZGRUSLSA-N 2 2 332.448 1.399 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1)c1c[nH+]c[nH]1 ZINC001032732246 707736861 /nfs/dbraw/zinc/73/68/61/707736861.db2.gz WZAQDQCNXQMNCC-GJZGRUSLSA-N 2 2 332.448 1.399 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001033421304 707833445 /nfs/dbraw/zinc/83/34/45/707833445.db2.gz WVLQRTVLNHJJQL-DZGCQCFKSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001033421304 707833448 /nfs/dbraw/zinc/83/34/48/707833448.db2.gz WVLQRTVLNHJJQL-DZGCQCFKSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033421304 707833452 /nfs/dbraw/zinc/83/34/52/707833452.db2.gz WVLQRTVLNHJJQL-DZGCQCFKSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033421304 707833455 /nfs/dbraw/zinc/83/34/55/707833455.db2.gz WVLQRTVLNHJJQL-DZGCQCFKSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001033421306 707833925 /nfs/dbraw/zinc/83/39/25/707833925.db2.gz WVLQRTVLNHJJQL-UKRRQHHQSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001033421306 707833928 /nfs/dbraw/zinc/83/39/28/707833928.db2.gz WVLQRTVLNHJJQL-UKRRQHHQSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001033421306 707833931 /nfs/dbraw/zinc/83/39/31/707833931.db2.gz WVLQRTVLNHJJQL-UKRRQHHQSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001033421306 707833935 /nfs/dbraw/zinc/83/39/35/707833935.db2.gz WVLQRTVLNHJJQL-UKRRQHHQSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1nccn1C ZINC001004989449 707848446 /nfs/dbraw/zinc/84/84/46/707848446.db2.gz IFHWGSTUWLSPRL-GDBMZVCRSA-N 2 2 344.463 1.554 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1 ZINC001032759531 707869529 /nfs/dbraw/zinc/86/95/29/707869529.db2.gz RFNNLBIUPVXWAP-PVAVHDDUSA-N 2 2 332.448 1.064 20 0 EDADLP CCc1nnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004994895 707882066 /nfs/dbraw/zinc/88/20/66/707882066.db2.gz WUZKIWLUEYSJOZ-LSDHHAIUSA-N 2 2 349.479 1.587 20 0 EDADLP C[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005008093 707923404 /nfs/dbraw/zinc/92/34/04/707923404.db2.gz HFPZBBAJGJTXIK-GOEBONIOSA-N 2 2 330.436 1.176 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2C)c1 ZINC001032783199 707973570 /nfs/dbraw/zinc/97/35/70/707973570.db2.gz VMSRMIPRLWPKON-IRXDYDNUSA-N 2 2 340.427 1.685 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2C)c1 ZINC001032783199 707973572 /nfs/dbraw/zinc/97/35/72/707973572.db2.gz VMSRMIPRLWPKON-IRXDYDNUSA-N 2 2 340.427 1.685 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032782720 707976090 /nfs/dbraw/zinc/97/60/90/707976090.db2.gz JRVJIQWIHSYJCD-GJZGRUSLSA-N 2 2 343.431 1.536 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032782720 707976092 /nfs/dbraw/zinc/97/60/92/707976092.db2.gz JRVJIQWIHSYJCD-GJZGRUSLSA-N 2 2 343.431 1.536 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1=CC[N@H+](CC3CC3)CC1)C2 ZINC001000872208 708072139 /nfs/dbraw/zinc/07/21/39/708072139.db2.gz SPZQXNBNRMGWPY-MRXNPFEDSA-N 2 2 328.460 1.981 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1=CC[N@@H+](CC3CC3)CC1)C2 ZINC001000872208 708072141 /nfs/dbraw/zinc/07/21/41/708072141.db2.gz SPZQXNBNRMGWPY-MRXNPFEDSA-N 2 2 328.460 1.981 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1=CC[N@H+](CC3CC3)CC1)CC2 ZINC001000872208 708072143 /nfs/dbraw/zinc/07/21/43/708072143.db2.gz SPZQXNBNRMGWPY-MRXNPFEDSA-N 2 2 328.460 1.981 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1=CC[N@@H+](CC3CC3)CC1)CC2 ZINC001000872208 708072145 /nfs/dbraw/zinc/07/21/45/708072145.db2.gz SPZQXNBNRMGWPY-MRXNPFEDSA-N 2 2 328.460 1.981 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001001266186 708121384 /nfs/dbraw/zinc/12/13/84/708121384.db2.gz ZSNVGGMSHONBQH-UKRRQHHQSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001001266186 708121386 /nfs/dbraw/zinc/12/13/86/708121386.db2.gz ZSNVGGMSHONBQH-UKRRQHHQSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)on1 ZINC001033532723 708156359 /nfs/dbraw/zinc/15/63/59/708156359.db2.gz TWPUGRZFZXIDMM-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)on1 ZINC001033532723 708156362 /nfs/dbraw/zinc/15/63/62/708156362.db2.gz TWPUGRZFZXIDMM-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033596351 708301242 /nfs/dbraw/zinc/30/12/42/708301242.db2.gz YNEQDGVZJUVHPQ-AWEZNQCLSA-N 2 2 332.473 1.800 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033596351 708301246 /nfs/dbraw/zinc/30/12/46/708301246.db2.gz YNEQDGVZJUVHPQ-AWEZNQCLSA-N 2 2 332.473 1.800 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3c[nH+]ccc3N(C)C)C2)on1 ZINC001033585765 708314057 /nfs/dbraw/zinc/31/40/57/708314057.db2.gz MGBRYGWCBSYNJF-AWEZNQCLSA-N 2 2 343.431 1.791 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3c[nH+]ccc3N(C)C)C2)on1 ZINC001033585765 708314061 /nfs/dbraw/zinc/31/40/61/708314061.db2.gz MGBRYGWCBSYNJF-AWEZNQCLSA-N 2 2 343.431 1.791 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033788421 708698403 /nfs/dbraw/zinc/69/84/03/708698403.db2.gz HIOGCRXCLMCSLZ-SJORKVTESA-N 2 2 337.508 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033788421 708698406 /nfs/dbraw/zinc/69/84/06/708698406.db2.gz HIOGCRXCLMCSLZ-SJORKVTESA-N 2 2 337.508 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033788421 708698409 /nfs/dbraw/zinc/69/84/09/708698409.db2.gz HIOGCRXCLMCSLZ-SJORKVTESA-N 2 2 337.508 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033788421 708698412 /nfs/dbraw/zinc/69/84/12/708698412.db2.gz HIOGCRXCLMCSLZ-SJORKVTESA-N 2 2 337.508 1.676 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005382810 708816863 /nfs/dbraw/zinc/81/68/63/708816863.db2.gz AXSBLVPRURWEDQ-KRWDZBQOSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005382810 708816867 /nfs/dbraw/zinc/81/68/67/708816867.db2.gz AXSBLVPRURWEDQ-KRWDZBQOSA-N 2 2 347.507 1.716 20 0 EDADLP CN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C1CC[NH+](CCF)CC1 ZINC001005408246 708916067 /nfs/dbraw/zinc/91/60/67/708916067.db2.gz VRXJBXMCRMCOSW-MRXNPFEDSA-N 2 2 337.443 1.682 20 0 EDADLP CN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C1CC[NH+](CCF)CC1 ZINC001005408246 708916069 /nfs/dbraw/zinc/91/60/69/708916069.db2.gz VRXJBXMCRMCOSW-MRXNPFEDSA-N 2 2 337.443 1.682 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061706769 709015243 /nfs/dbraw/zinc/01/52/43/709015243.db2.gz UXECNNSLVCMVLJ-HOTGVXAUSA-N 2 2 331.464 1.520 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061706769 709015246 /nfs/dbraw/zinc/01/52/46/709015246.db2.gz UXECNNSLVCMVLJ-HOTGVXAUSA-N 2 2 331.464 1.520 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](CCO)C1 ZINC001033913131 709024341 /nfs/dbraw/zinc/02/43/41/709024341.db2.gz NYIMSLMOQMGVPH-KRWDZBQOSA-N 2 2 328.416 1.401 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033913131 709024344 /nfs/dbraw/zinc/02/43/44/709024344.db2.gz NYIMSLMOQMGVPH-KRWDZBQOSA-N 2 2 328.416 1.401 20 0 EDADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034008731 709219368 /nfs/dbraw/zinc/21/93/68/709219368.db2.gz BRYGHUNMLAGSRU-GOEBONIOSA-N 2 2 343.431 1.185 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001034016100 709233127 /nfs/dbraw/zinc/23/31/27/709233127.db2.gz LCXCWPWRTDSWRT-DZGCQCFKSA-N 2 2 347.463 1.458 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001034016100 709233130 /nfs/dbraw/zinc/23/31/30/709233130.db2.gz LCXCWPWRTDSWRT-DZGCQCFKSA-N 2 2 347.463 1.458 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001034039564 709272551 /nfs/dbraw/zinc/27/25/51/709272551.db2.gz KGYOQBFXITYMIE-WBVHZDCISA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001034039564 709272553 /nfs/dbraw/zinc/27/25/53/709272553.db2.gz KGYOQBFXITYMIE-WBVHZDCISA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001034039564 709272555 /nfs/dbraw/zinc/27/25/55/709272555.db2.gz KGYOQBFXITYMIE-WBVHZDCISA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001034039564 709272557 /nfs/dbraw/zinc/27/25/57/709272557.db2.gz KGYOQBFXITYMIE-WBVHZDCISA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001034047413 709301150 /nfs/dbraw/zinc/30/11/50/709301150.db2.gz IEOFWDKUEJPXMS-ROUUACIJSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001034047413 709301154 /nfs/dbraw/zinc/30/11/54/709301154.db2.gz IEOFWDKUEJPXMS-ROUUACIJSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001034047413 709301158 /nfs/dbraw/zinc/30/11/58/709301158.db2.gz IEOFWDKUEJPXMS-ROUUACIJSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001034047413 709301161 /nfs/dbraw/zinc/30/11/61/709301161.db2.gz IEOFWDKUEJPXMS-ROUUACIJSA-N 2 2 346.475 1.225 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC001002802814 709405373 /nfs/dbraw/zinc/40/53/73/709405373.db2.gz OVHYONATHOJDCA-GOEBONIOSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)o1 ZINC001002802814 709405376 /nfs/dbraw/zinc/40/53/76/709405376.db2.gz OVHYONATHOJDCA-GOEBONIOSA-N 2 2 347.463 1.333 20 0 EDADLP COc1nccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034136601 709407870 /nfs/dbraw/zinc/40/78/70/709407870.db2.gz LBBRKWWVKKVJPQ-GDBMZVCRSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034136601 709407872 /nfs/dbraw/zinc/40/78/72/709407872.db2.gz LBBRKWWVKKVJPQ-GDBMZVCRSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001034136601 709407873 /nfs/dbraw/zinc/40/78/73/709407873.db2.gz LBBRKWWVKKVJPQ-GDBMZVCRSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001034136601 709407875 /nfs/dbraw/zinc/40/78/75/709407875.db2.gz LBBRKWWVKKVJPQ-GDBMZVCRSA-N 2 2 347.463 1.050 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002801526 709415577 /nfs/dbraw/zinc/41/55/77/709415577.db2.gz IVDSDXXCVXQHRR-NVXWUHKLSA-N 2 2 345.491 1.375 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002801526 709415579 /nfs/dbraw/zinc/41/55/79/709415579.db2.gz IVDSDXXCVXQHRR-NVXWUHKLSA-N 2 2 345.491 1.375 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002802245 709417046 /nfs/dbraw/zinc/41/70/46/709417046.db2.gz MBVOQHIMACSQIF-HOCLYGCPSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002802245 709417047 /nfs/dbraw/zinc/41/70/47/709417047.db2.gz MBVOQHIMACSQIF-HOCLYGCPSA-N 2 2 347.463 1.333 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3nncn3C)CC2)CC[N@@H+]1C ZINC001002859625 709467217 /nfs/dbraw/zinc/46/72/17/709467217.db2.gz PYNFTQAODJWXIS-CWRNSKLLSA-N 2 2 348.495 1.187 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3nncn3C)CC2)CC[N@H+]1C ZINC001002859625 709467218 /nfs/dbraw/zinc/46/72/18/709467218.db2.gz PYNFTQAODJWXIS-CWRNSKLLSA-N 2 2 348.495 1.187 20 0 EDADLP Cc1nnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034209229 709558559 /nfs/dbraw/zinc/55/85/59/709558559.db2.gz YMCKPIINDQRLIB-HOTGVXAUSA-N 2 2 347.463 1.191 20 0 EDADLP Cc1nnc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034209229 709558560 /nfs/dbraw/zinc/55/85/60/709558560.db2.gz YMCKPIINDQRLIB-HOTGVXAUSA-N 2 2 347.463 1.191 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002954640 709655205 /nfs/dbraw/zinc/65/52/05/709655205.db2.gz HEMHUQABCCXGCL-INIZCTEOSA-N 2 2 331.464 1.432 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002954640 709655210 /nfs/dbraw/zinc/65/52/10/709655210.db2.gz HEMHUQABCCXGCL-INIZCTEOSA-N 2 2 331.464 1.432 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2nccnc2C)C1 ZINC001034309172 709751382 /nfs/dbraw/zinc/75/13/82/709751382.db2.gz JGAUHHSCPZZAPD-MRXNPFEDSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2nccnc2C)C1 ZINC001034309172 709751385 /nfs/dbraw/zinc/75/13/85/709751385.db2.gz JGAUHHSCPZZAPD-MRXNPFEDSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccccn2)C1 ZINC001034310718 709754429 /nfs/dbraw/zinc/75/44/29/709754429.db2.gz BYUQCZJHKMFMHJ-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccn2)C1 ZINC001034310718 709754436 /nfs/dbraw/zinc/75/44/36/709754436.db2.gz BYUQCZJHKMFMHJ-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001034396715 709936250 /nfs/dbraw/zinc/93/62/50/709936250.db2.gz GLDUJZUQZLRPNY-HZPDHXFCSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001034396715 709936254 /nfs/dbraw/zinc/93/62/54/709936254.db2.gz GLDUJZUQZLRPNY-HZPDHXFCSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)C1 ZINC001034396715 709936257 /nfs/dbraw/zinc/93/62/57/709936257.db2.gz GLDUJZUQZLRPNY-HZPDHXFCSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)C1 ZINC001034396715 709936259 /nfs/dbraw/zinc/93/62/59/709936259.db2.gz GLDUJZUQZLRPNY-HZPDHXFCSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003157688 710060817 /nfs/dbraw/zinc/06/08/17/710060817.db2.gz FIQHMKIEJBVMAB-GDBMZVCRSA-N 2 2 331.464 1.603 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003157688 710060822 /nfs/dbraw/zinc/06/08/22/710060822.db2.gz FIQHMKIEJBVMAB-GDBMZVCRSA-N 2 2 331.464 1.603 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034490838 710109915 /nfs/dbraw/zinc/10/99/15/710109915.db2.gz OHFRGWJHBZMPAA-IAGOWNOFSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034490838 710109919 /nfs/dbraw/zinc/10/99/19/710109919.db2.gz OHFRGWJHBZMPAA-IAGOWNOFSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034490838 710109923 /nfs/dbraw/zinc/10/99/23/710109923.db2.gz OHFRGWJHBZMPAA-IAGOWNOFSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034490838 710109926 /nfs/dbraw/zinc/10/99/26/710109926.db2.gz OHFRGWJHBZMPAA-IAGOWNOFSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001034485675 710131354 /nfs/dbraw/zinc/13/13/54/710131354.db2.gz SQPZKLVJGCFHLZ-CQSZACIVSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001034485675 710131356 /nfs/dbraw/zinc/13/13/56/710131356.db2.gz SQPZKLVJGCFHLZ-CQSZACIVSA-N 2 2 331.420 1.430 20 0 EDADLP Cn1ccnc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034487024 710134287 /nfs/dbraw/zinc/13/42/87/710134287.db2.gz DFYUVCUMSBUDRY-HOTGVXAUSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccnc1C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034487024 710134290 /nfs/dbraw/zinc/13/42/90/710134290.db2.gz DFYUVCUMSBUDRY-HOTGVXAUSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccnc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034487024 710134294 /nfs/dbraw/zinc/13/42/94/710134294.db2.gz DFYUVCUMSBUDRY-HOTGVXAUSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccnc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034487024 710134297 /nfs/dbraw/zinc/13/42/97/710134297.db2.gz DFYUVCUMSBUDRY-HOTGVXAUSA-N 2 2 333.480 1.233 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001034503553 710145517 /nfs/dbraw/zinc/14/55/17/710145517.db2.gz OZSWNGFECPVMNI-CVEARBPZSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001034503553 710145522 /nfs/dbraw/zinc/14/55/22/710145522.db2.gz OZSWNGFECPVMNI-CVEARBPZSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC001003243524 710166758 /nfs/dbraw/zinc/16/67/58/710166758.db2.gz BSBMIBIOSMRYOH-UHFFFAOYSA-N 2 2 333.436 1.087 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524818 710173936 /nfs/dbraw/zinc/17/39/36/710173936.db2.gz IDKUBAKLTBONAS-HZPDHXFCSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034524818 710173938 /nfs/dbraw/zinc/17/39/38/710173938.db2.gz IDKUBAKLTBONAS-HZPDHXFCSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034524818 710173940 /nfs/dbraw/zinc/17/39/40/710173940.db2.gz IDKUBAKLTBONAS-HZPDHXFCSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034524818 710173942 /nfs/dbraw/zinc/17/39/42/710173942.db2.gz IDKUBAKLTBONAS-HZPDHXFCSA-N 2 2 333.480 1.325 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528235 710181673 /nfs/dbraw/zinc/18/16/73/710181673.db2.gz KQSIHNXPUCBHGN-CQSZACIVSA-N 2 2 337.493 1.413 20 0 EDADLP Cc1nnsc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528235 710181676 /nfs/dbraw/zinc/18/16/76/710181676.db2.gz KQSIHNXPUCBHGN-CQSZACIVSA-N 2 2 337.493 1.413 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034529822 710185476 /nfs/dbraw/zinc/18/54/76/710185476.db2.gz PEWQHBLNSBTTQB-HNNXBMFYSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034529822 710185477 /nfs/dbraw/zinc/18/54/77/710185477.db2.gz PEWQHBLNSBTTQB-HNNXBMFYSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034529933 710186490 /nfs/dbraw/zinc/18/64/90/710186490.db2.gz RHGBBRAFYVWNND-INIZCTEOSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034529933 710186494 /nfs/dbraw/zinc/18/64/94/710186494.db2.gz RHGBBRAFYVWNND-INIZCTEOSA-N 2 2 330.436 1.096 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnnn2C)C1 ZINC001034539085 710212336 /nfs/dbraw/zinc/21/23/36/710212336.db2.gz VGQMUMXIXWVWKQ-NVXWUHKLSA-N 2 2 348.495 1.160 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnnn2C)C1 ZINC001034539085 710212340 /nfs/dbraw/zinc/21/23/40/710212340.db2.gz VGQMUMXIXWVWKQ-NVXWUHKLSA-N 2 2 348.495 1.160 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnnn2C)C1 ZINC001034539085 710212343 /nfs/dbraw/zinc/21/23/43/710212343.db2.gz VGQMUMXIXWVWKQ-NVXWUHKLSA-N 2 2 348.495 1.160 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnnn2C)C1 ZINC001034539085 710212346 /nfs/dbraw/zinc/21/23/46/710212346.db2.gz VGQMUMXIXWVWKQ-NVXWUHKLSA-N 2 2 348.495 1.160 20 0 EDADLP CO[C@@H](C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1)C1CCC1 ZINC001034546473 710220453 /nfs/dbraw/zinc/22/04/53/710220453.db2.gz FBDBXSPEZBBIQM-IRXDYDNUSA-N 2 2 334.464 1.669 20 0 EDADLP CO[C@@H](C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1)C1CCC1 ZINC001034546473 710220456 /nfs/dbraw/zinc/22/04/56/710220456.db2.gz FBDBXSPEZBBIQM-IRXDYDNUSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2nc(C)oc2C)CC1 ZINC001003319885 710248234 /nfs/dbraw/zinc/24/82/34/710248234.db2.gz YRVJKYYRORNAQP-UHFFFAOYSA-N 2 2 331.420 1.577 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003424050 710339530 /nfs/dbraw/zinc/33/95/30/710339530.db2.gz MHOGFXFLOZGKQW-UHFFFAOYSA-N 2 2 334.464 1.938 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003635413 710462684 /nfs/dbraw/zinc/46/26/84/710462684.db2.gz PRXFRFOHNLXDCV-CRAIPNDOSA-N 2 2 347.507 1.742 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003635413 710462685 /nfs/dbraw/zinc/46/26/85/710462685.db2.gz PRXFRFOHNLXDCV-CRAIPNDOSA-N 2 2 347.507 1.742 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC001003701552 710495497 /nfs/dbraw/zinc/49/54/97/710495497.db2.gz RPHAUCULQARUJD-SFHVURJKSA-N 2 2 342.443 1.136 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000922257017 710535671 /nfs/dbraw/zinc/53/56/71/710535671.db2.gz QKXMAQHIFHZSKK-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000922257017 710535672 /nfs/dbraw/zinc/53/56/72/710535672.db2.gz QKXMAQHIFHZSKK-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001034673885 710613149 /nfs/dbraw/zinc/61/31/49/710613149.db2.gz FNGOJMFYLDHEGD-MGPQQGTHSA-N 2 2 344.419 1.046 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001034731307 710929024 /nfs/dbraw/zinc/92/90/24/710929024.db2.gz LZKIRDAWPZYSHN-VGWMRTNUSA-N 2 2 346.475 1.883 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744034 710946794 /nfs/dbraw/zinc/94/67/94/710946794.db2.gz IGLCRFWOUHMOAL-HDJSIYSDSA-N 2 2 345.451 1.089 20 0 EDADLP COc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034764190 711038621 /nfs/dbraw/zinc/03/86/21/711038621.db2.gz PWHQFTNLHDASKC-SHTZXODSSA-N 2 2 343.431 1.573 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1)c1ncccn1 ZINC001034776977 711055404 /nfs/dbraw/zinc/05/54/04/711055404.db2.gz DEDXMTVJSLNPJC-KKUMJFAQSA-N 2 2 342.447 1.531 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1)c1ncccn1 ZINC001034776979 711055476 /nfs/dbraw/zinc/05/54/76/711055476.db2.gz DEDXMTVJSLNPJC-RBSFLKMASA-N 2 2 342.447 1.531 20 0 EDADLP Cc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976685 711089633 /nfs/dbraw/zinc/08/96/33/711089633.db2.gz PBNPZDBREOIZOI-MSOLQXFVSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976685 711089639 /nfs/dbraw/zinc/08/96/39/711089639.db2.gz PBNPZDBREOIZOI-MSOLQXFVSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001032976685 711089643 /nfs/dbraw/zinc/08/96/43/711089643.db2.gz PBNPZDBREOIZOI-MSOLQXFVSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001032976685 711089648 /nfs/dbraw/zinc/08/96/48/711089648.db2.gz PBNPZDBREOIZOI-MSOLQXFVSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1F ZINC001032980236 711104406 /nfs/dbraw/zinc/10/44/06/711104406.db2.gz LSPUGAKECCXTNW-SJLPKXTDSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1F ZINC001032980236 711104411 /nfs/dbraw/zinc/10/44/11/711104411.db2.gz LSPUGAKECCXTNW-SJLPKXTDSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1F ZINC001032980236 711104416 /nfs/dbraw/zinc/10/44/16/711104416.db2.gz LSPUGAKECCXTNW-SJLPKXTDSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1F ZINC001032980236 711104422 /nfs/dbraw/zinc/10/44/22/711104422.db2.gz LSPUGAKECCXTNW-SJLPKXTDSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2cnoc2C)CC1 ZINC001005715203 711114990 /nfs/dbraw/zinc/11/49/90/711114990.db2.gz YEFZXPXCRKGEJH-UHFFFAOYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)o1 ZINC001003966971 711136715 /nfs/dbraw/zinc/13/67/15/711136715.db2.gz HGWIZXCRSDNMIA-ZBFHGGJFSA-N 2 2 349.479 1.579 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC001034799792 711138045 /nfs/dbraw/zinc/13/80/45/711138045.db2.gz PGHINFOMMUKXGE-HDJSIYSDSA-N 2 2 344.419 1.361 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc(C)[nH+]1 ZINC001061364206 711141299 /nfs/dbraw/zinc/14/12/99/711141299.db2.gz FBYARIQULGUATC-CABCVRRESA-N 2 2 331.464 1.384 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC001061364206 711141302 /nfs/dbraw/zinc/14/13/02/711141302.db2.gz FBYARIQULGUATC-CABCVRRESA-N 2 2 331.464 1.384 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034823983 711226494 /nfs/dbraw/zinc/22/64/94/711226494.db2.gz JTRIHHQDIZBNLB-CXAGYDPISA-N 2 2 343.431 1.173 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034823983 711226498 /nfs/dbraw/zinc/22/64/98/711226498.db2.gz JTRIHHQDIZBNLB-CXAGYDPISA-N 2 2 343.431 1.173 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001004052325 711340099 /nfs/dbraw/zinc/34/00/99/711340099.db2.gz GTNXFMTVGUJMQO-MRXNPFEDSA-N 2 2 334.464 1.800 20 0 EDADLP CCc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001034922679 711383505 /nfs/dbraw/zinc/38/35/05/711383505.db2.gz MRDKEEDZZSWVMA-CQSZACIVSA-N 2 2 345.447 1.982 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]ccn32)co1 ZINC001034958178 711431225 /nfs/dbraw/zinc/43/12/25/711431225.db2.gz CPBUQKLTNGHNOD-HZPDHXFCSA-N 2 2 343.431 1.838 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001034972083 711452135 /nfs/dbraw/zinc/45/21/35/711452135.db2.gz BIODUFZGJQPLPD-HUUCEWRRSA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001034972083 711452136 /nfs/dbraw/zinc/45/21/36/711452136.db2.gz BIODUFZGJQPLPD-HUUCEWRRSA-N 2 2 347.463 1.512 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001004151317 711568923 /nfs/dbraw/zinc/56/89/23/711568923.db2.gz WNFHIUKFDGFCMR-QWHCGFSZSA-N 2 2 335.452 1.225 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001004151317 711568924 /nfs/dbraw/zinc/56/89/24/711568924.db2.gz WNFHIUKFDGFCMR-QWHCGFSZSA-N 2 2 335.452 1.225 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+]([C@@H](C)c2cnc(C)cn2)CC1 ZINC001004151843 711569952 /nfs/dbraw/zinc/56/99/52/711569952.db2.gz NOAJJEOHJCBWIF-AWEZNQCLSA-N 2 2 342.447 1.632 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@H]2CCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001004594497 712033471 /nfs/dbraw/zinc/03/34/71/712033471.db2.gz ZKMTWQLTFXLKFX-NVXWUHKLSA-N 2 2 346.475 1.692 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001004594497 712033473 /nfs/dbraw/zinc/03/34/73/712033473.db2.gz ZKMTWQLTFXLKFX-NVXWUHKLSA-N 2 2 346.475 1.692 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946642425 712126797 /nfs/dbraw/zinc/12/67/97/712126797.db2.gz JAHKVBNWCBKBCY-GASCZTMLSA-N 2 2 342.443 1.729 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946642425 712126798 /nfs/dbraw/zinc/12/67/98/712126798.db2.gz JAHKVBNWCBKBCY-GASCZTMLSA-N 2 2 342.443 1.729 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033152639 712166793 /nfs/dbraw/zinc/16/67/93/712166793.db2.gz QMHWKAZNBOGNNA-DLBZAZTESA-N 2 2 339.443 1.888 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033152639 712166796 /nfs/dbraw/zinc/16/67/96/712166796.db2.gz QMHWKAZNBOGNNA-DLBZAZTESA-N 2 2 339.443 1.888 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC[N@@H+]1CCOC ZINC000557664885 306232543 /nfs/dbraw/zinc/23/25/43/306232543.db2.gz XUVITTDYFSGVJZ-FUHWJXTLSA-N 2 2 348.491 1.713 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC[N@H+]1CCOC ZINC000557664885 306232544 /nfs/dbraw/zinc/23/25/44/306232544.db2.gz XUVITTDYFSGVJZ-FUHWJXTLSA-N 2 2 348.491 1.713 20 0 EDADLP C[NH+](C)CCCCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000558322654 306236949 /nfs/dbraw/zinc/23/69/49/306236949.db2.gz VIDWEBBFSJFZRY-LJQANCHMSA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+](C)Cc1cnc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000347778892 282150375 /nfs/dbraw/zinc/15/03/75/282150375.db2.gz JWAROLWQFNJPNB-OAHLLOKOSA-N 2 2 338.521 1.749 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433867917 305114266 /nfs/dbraw/zinc/11/42/66/305114266.db2.gz KLTZSKNMZGCKLA-KBPBESRZSA-N 2 2 325.478 1.461 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433867917 305114267 /nfs/dbraw/zinc/11/42/67/305114267.db2.gz KLTZSKNMZGCKLA-KBPBESRZSA-N 2 2 325.478 1.461 20 0 EDADLP C[NH+](C)CCCCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000560608359 306275750 /nfs/dbraw/zinc/27/57/50/306275750.db2.gz MQDKNUHZGKAUMG-OAHLLOKOSA-N 2 2 339.505 1.970 20 0 EDADLP CC(C)Oc1ncc(Cl)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000561036676 306281700 /nfs/dbraw/zinc/28/17/00/306281700.db2.gz VNABMNMMXBXXES-GFCCVEGCSA-N 2 2 341.843 1.629 20 0 EDADLP CC(C)Oc1ncc(Cl)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000561036676 306281701 /nfs/dbraw/zinc/28/17/01/306281701.db2.gz VNABMNMMXBXXES-GFCCVEGCSA-N 2 2 341.843 1.629 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000412428017 304007293 /nfs/dbraw/zinc/00/72/93/304007293.db2.gz UJWPBMGAGPHFMI-KSZLIROESA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000412428017 304007286 /nfs/dbraw/zinc/00/72/86/304007286.db2.gz UJWPBMGAGPHFMI-KSZLIROESA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000412428017 304007289 /nfs/dbraw/zinc/00/72/89/304007289.db2.gz UJWPBMGAGPHFMI-KSZLIROESA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000412428017 304007290 /nfs/dbraw/zinc/00/72/90/304007290.db2.gz UJWPBMGAGPHFMI-KSZLIROESA-N 2 2 331.460 1.438 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333886271 539657240 /nfs/dbraw/zinc/65/72/40/539657240.db2.gz FWFZVTMGSPJLLB-HZPDHXFCSA-N 2 2 329.448 1.575 20 0 EDADLP Cc1ccc2nc(C[NH2+]C3CC[NH+](CCC(=O)N(C)C)CC3)cn2c1 ZINC000341051436 539745028 /nfs/dbraw/zinc/74/50/28/539745028.db2.gz RDPSZFJVORGXMH-UHFFFAOYSA-N 2 2 343.475 1.675 20 0 EDADLP C[NH+](C/C=C\C[N@@H+](C)C[C@H](O)C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000255577804 539877388 /nfs/dbraw/zinc/87/73/88/539877388.db2.gz ROSQTWOZJPUCLF-BZDJSAGESA-N 2 2 338.292 1.253 20 0 EDADLP C[NH+](C/C=C\C[N@H+](C)C[C@H](O)C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000255577804 539877392 /nfs/dbraw/zinc/87/73/92/539877392.db2.gz ROSQTWOZJPUCLF-BZDJSAGESA-N 2 2 338.292 1.253 20 0 EDADLP C[NH+](C/C=C\C[N@H+](C)C[C@@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000255577804 539877396 /nfs/dbraw/zinc/87/73/96/539877396.db2.gz ROSQTWOZJPUCLF-BZDJSAGESA-N 2 2 338.292 1.253 20 0 EDADLP C[NH+](C/C=C\C[N@@H+](C)C[C@@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000255577804 539877400 /nfs/dbraw/zinc/87/74/00/539877400.db2.gz ROSQTWOZJPUCLF-BZDJSAGESA-N 2 2 338.292 1.253 20 0 EDADLP CC[C@H](NC(=O)N1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562807812 306309898 /nfs/dbraw/zinc/30/98/98/306309898.db2.gz YWIWVNYIASDIFO-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP CC[C@H](NC(=O)N1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562807812 306309899 /nfs/dbraw/zinc/30/98/99/306309899.db2.gz YWIWVNYIASDIFO-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000562810035 306310049 /nfs/dbraw/zinc/31/00/49/306310049.db2.gz BZCUTUWBKPUAFJ-CQSZACIVSA-N 2 2 328.407 1.866 20 0 EDADLP C[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000159163522 540005747 /nfs/dbraw/zinc/00/57/47/540005747.db2.gz LPKIKHYTVLDEMO-CJNGLKHVSA-N 2 2 343.431 1.928 20 0 EDADLP C[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000159163522 540005751 /nfs/dbraw/zinc/00/57/51/540005751.db2.gz LPKIKHYTVLDEMO-CJNGLKHVSA-N 2 2 343.431 1.928 20 0 EDADLP O[C@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)COc1ccc2c(c1)OCO2 ZINC000562995844 306315032 /nfs/dbraw/zinc/31/50/32/306315032.db2.gz GHUIMEKTIMEOHJ-CQSZACIVSA-N 2 2 341.367 1.593 20 0 EDADLP C[C@@H](CC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1)n1cc[nH+]c1 ZINC000563219516 306323951 /nfs/dbraw/zinc/32/39/51/306323951.db2.gz QKMFUVDPILZIQD-AWEZNQCLSA-N 2 2 343.435 1.039 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000563348709 306328741 /nfs/dbraw/zinc/32/87/41/306328741.db2.gz MVPRXQBWFQCBDP-GXTWGEPZSA-N 2 2 341.402 1.758 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000563348709 306328740 /nfs/dbraw/zinc/32/87/40/306328740.db2.gz MVPRXQBWFQCBDP-GXTWGEPZSA-N 2 2 341.402 1.758 20 0 EDADLP COc1cccc(CN(CC[NH+](C)C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC000194345471 540186264 /nfs/dbraw/zinc/18/62/64/540186264.db2.gz DHEXUUJLZOLHSE-UHFFFAOYSA-N 2 2 330.432 1.941 20 0 EDADLP COc1cccc(CN(CC[NH+](C)C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC000194345471 540186267 /nfs/dbraw/zinc/18/62/67/540186267.db2.gz DHEXUUJLZOLHSE-UHFFFAOYSA-N 2 2 330.432 1.941 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000073000850 138213069 /nfs/dbraw/zinc/21/30/69/138213069.db2.gz LDVZCLQXJFAWNF-KRWDZBQOSA-N 2 2 333.432 1.178 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000073000850 138213070 /nfs/dbraw/zinc/21/30/70/138213070.db2.gz LDVZCLQXJFAWNF-KRWDZBQOSA-N 2 2 333.432 1.178 20 0 EDADLP COc1cc(Cl)ccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563578063 306339616 /nfs/dbraw/zinc/33/96/16/306339616.db2.gz HQTJOYYFJVVKTQ-ZDUSSCGKSA-N 2 2 326.828 1.133 20 0 EDADLP COc1cc(Cl)ccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563578063 306339617 /nfs/dbraw/zinc/33/96/17/306339617.db2.gz HQTJOYYFJVVKTQ-ZDUSSCGKSA-N 2 2 326.828 1.133 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000118872167 138313158 /nfs/dbraw/zinc/31/31/58/138313158.db2.gz VHSJSSNSHFCMNC-UHFFFAOYSA-N 2 2 327.432 1.158 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000129931410 138339164 /nfs/dbraw/zinc/33/91/64/138339164.db2.gz WGOHKFJETZAFIF-KRWDZBQOSA-N 2 2 347.507 1.483 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000129931410 138339165 /nfs/dbraw/zinc/33/91/65/138339165.db2.gz WGOHKFJETZAFIF-KRWDZBQOSA-N 2 2 347.507 1.483 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000130371646 138340923 /nfs/dbraw/zinc/34/09/23/138340923.db2.gz MBBDALDTRXOPST-HNNXBMFYSA-N 2 2 330.432 1.919 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000130371646 138340924 /nfs/dbraw/zinc/34/09/24/138340924.db2.gz MBBDALDTRXOPST-HNNXBMFYSA-N 2 2 330.432 1.919 20 0 EDADLP COCC[NH+]1[C@@H](C)CN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C ZINC000130450142 138341389 /nfs/dbraw/zinc/34/13/89/138341389.db2.gz IUYUESYHDDMUBJ-HOTGVXAUSA-N 2 2 329.448 1.808 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000339536172 295953765 /nfs/dbraw/zinc/95/37/65/295953765.db2.gz HFZYBSBAUJHBCK-DOTOQJQBSA-N 2 2 338.496 1.080 20 0 EDADLP O[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCCC1 ZINC000564074262 306354976 /nfs/dbraw/zinc/35/49/76/306354976.db2.gz NTBYOCKDXPGEGK-SZVBFZGTSA-N 3 2 331.460 1.289 20 0 EDADLP CCC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343394021 283345734 /nfs/dbraw/zinc/34/57/34/283345734.db2.gz FYKWXNSJNAUPOH-BBWFWOEESA-N 2 2 325.497 1.674 20 0 EDADLP CCC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343394021 283345736 /nfs/dbraw/zinc/34/57/36/283345736.db2.gz FYKWXNSJNAUPOH-BBWFWOEESA-N 2 2 325.497 1.674 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)C1CC1 ZINC000564793564 306364931 /nfs/dbraw/zinc/36/49/31/306364931.db2.gz QURQDCRHOKBBPQ-DZGCQCFKSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)C1CC1 ZINC000564793564 306364932 /nfs/dbraw/zinc/36/49/32/306364932.db2.gz QURQDCRHOKBBPQ-DZGCQCFKSA-N 2 2 337.851 1.490 20 0 EDADLP [NH3+]CCCCn1cc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)nn1 ZINC000565033584 306373466 /nfs/dbraw/zinc/37/34/66/306373466.db2.gz KPLADOZBILPSKJ-UHFFFAOYSA-N 2 2 325.376 1.659 20 0 EDADLP CC[N@H+](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000136038824 201130883 /nfs/dbraw/zinc/13/08/83/201130883.db2.gz UEGGJKWZCBWXMR-UHFFFAOYSA-N 3 2 336.524 1.537 20 0 EDADLP CC[N@@H+](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000136038824 201130887 /nfs/dbraw/zinc/13/08/87/201130887.db2.gz UEGGJKWZCBWXMR-UHFFFAOYSA-N 3 2 336.524 1.537 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000136322852 201131510 /nfs/dbraw/zinc/13/15/10/201131510.db2.gz PVSPSJKPGRZITG-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000136322852 201131514 /nfs/dbraw/zinc/13/15/14/201131514.db2.gz PVSPSJKPGRZITG-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000565588131 306387222 /nfs/dbraw/zinc/38/72/22/306387222.db2.gz ZLCNZHMRCJBXIJ-MAUKXSAKSA-N 2 2 346.475 1.316 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000565718628 306389801 /nfs/dbraw/zinc/38/98/01/306389801.db2.gz OVEWVVZIRJHWPJ-KRWDZBQOSA-N 2 2 346.475 1.406 20 0 EDADLP COc1cccc(N2CC[C@@H]([NH2+]Cc3c[nH+]c(N(C)C)n3C)C2)c1 ZINC000414350300 304110090 /nfs/dbraw/zinc/11/00/90/304110090.db2.gz ZVLJOCOKLWAHFV-CQSZACIVSA-N 2 2 329.448 1.863 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)ccn12 ZINC000565784383 306391900 /nfs/dbraw/zinc/39/19/00/306391900.db2.gz HHSGVLLEEAONAG-UHFFFAOYSA-N 2 2 331.464 1.598 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)ccn12 ZINC000565784383 306391901 /nfs/dbraw/zinc/39/19/01/306391901.db2.gz HHSGVLLEEAONAG-UHFFFAOYSA-N 2 2 331.464 1.598 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)CCCN(C)CC[NH+](C)C)ccn12 ZINC000565784383 306391902 /nfs/dbraw/zinc/39/19/02/306391902.db2.gz HHSGVLLEEAONAG-UHFFFAOYSA-N 2 2 331.464 1.598 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694250 304128340 /nfs/dbraw/zinc/12/83/40/304128340.db2.gz MZNDCUUVORBDIL-MJGOQNOKSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694250 304128342 /nfs/dbraw/zinc/12/83/42/304128342.db2.gz MZNDCUUVORBDIL-MJGOQNOKSA-N 2 2 344.503 1.390 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000566675952 306424466 /nfs/dbraw/zinc/42/44/66/306424466.db2.gz KBHYNDGDEWTFKI-RBSFLKMASA-N 2 2 334.464 1.700 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000072859138 203249223 /nfs/dbraw/zinc/24/92/23/203249223.db2.gz CTUILAYCGSAAPA-QGZVFWFLSA-N 2 2 333.476 1.764 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000072859138 203249227 /nfs/dbraw/zinc/24/92/27/203249227.db2.gz CTUILAYCGSAAPA-QGZVFWFLSA-N 2 2 333.476 1.764 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000072859138 203249228 /nfs/dbraw/zinc/24/92/28/203249228.db2.gz CTUILAYCGSAAPA-QGZVFWFLSA-N 2 2 333.476 1.764 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000072859138 203249233 /nfs/dbraw/zinc/24/92/33/203249233.db2.gz CTUILAYCGSAAPA-QGZVFWFLSA-N 2 2 333.476 1.764 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322101 203285192 /nfs/dbraw/zinc/28/51/92/203285192.db2.gz OKMBSVHABDGQSV-UHFFFAOYSA-N 2 2 332.448 1.429 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322101 203285196 /nfs/dbraw/zinc/28/51/96/203285196.db2.gz OKMBSVHABDGQSV-UHFFFAOYSA-N 2 2 332.448 1.429 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000077120883 203371757 /nfs/dbraw/zinc/37/17/57/203371757.db2.gz OFSJLTVONHYDMQ-UHFFFAOYSA-N 2 2 334.370 1.928 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](CCn3cc[nH+]c3C)CC2)cc1 ZINC000077120818 203372491 /nfs/dbraw/zinc/37/24/91/203372491.db2.gz VWIXNECGXWXWOH-UHFFFAOYSA-N 2 2 328.416 1.658 20 0 EDADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415037959 304153385 /nfs/dbraw/zinc/15/33/85/304153385.db2.gz LPLTUQUOSDJGQG-ZDUSSCGKSA-N 2 2 329.238 1.926 20 0 EDADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4C[NH2+]CCCO4)[C@H]3C2)cc1 ZINC000415036773 304153440 /nfs/dbraw/zinc/15/34/40/304153440.db2.gz KEYZXWFIGCQNRY-YRPNKDGESA-N 3 2 329.488 1.865 20 0 EDADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4C[NH2+]CCCO4)[C@H]3C2)cc1 ZINC000415036773 304153441 /nfs/dbraw/zinc/15/34/41/304153441.db2.gz KEYZXWFIGCQNRY-YRPNKDGESA-N 3 2 329.488 1.865 20 0 EDADLP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@H](O)C[NH3+] ZINC000415047536 304154196 /nfs/dbraw/zinc/15/41/96/304154196.db2.gz BBPNAWPZVKYSGY-CQSZACIVSA-N 2 2 339.237 1.386 20 0 EDADLP C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@H](O)C[NH3+] ZINC000415047536 304154197 /nfs/dbraw/zinc/15/41/97/304154197.db2.gz BBPNAWPZVKYSGY-CQSZACIVSA-N 2 2 339.237 1.386 20 0 EDADLP C[N@@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C[C@H](O)C[NH3+] ZINC000415072537 304157369 /nfs/dbraw/zinc/15/73/69/304157369.db2.gz WNIREWGVENBNCC-CABCVRRESA-N 2 2 328.840 1.649 20 0 EDADLP C[N@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C[C@H](O)C[NH3+] ZINC000415072537 304157371 /nfs/dbraw/zinc/15/73/71/304157371.db2.gz WNIREWGVENBNCC-CABCVRRESA-N 2 2 328.840 1.649 20 0 EDADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415097956 304159554 /nfs/dbraw/zinc/15/95/54/304159554.db2.gz UPNMKWLKYIJBPQ-CJNGLKHVSA-N 2 2 339.867 1.655 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N(C)c3ccccc3)CC2)c1 ZINC000104719740 204115553 /nfs/dbraw/zinc/11/55/53/204115553.db2.gz XQZWEYHWXXRRHR-UHFFFAOYSA-N 2 2 340.427 1.875 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000194983359 139003623 /nfs/dbraw/zinc/00/36/23/139003623.db2.gz LLVJNLUWORYWFF-RDJZCZTQSA-N 2 2 328.464 1.510 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000195149265 139008042 /nfs/dbraw/zinc/00/80/42/139008042.db2.gz FVWWLEHHILFEQH-IKGGRYGDSA-N 2 2 344.459 1.455 20 0 EDADLP C[C@H](c1cccc(NC(=O)NC2CC[NH2+]CC2)c1)[NH+]1CCOCC1 ZINC000415148825 304165237 /nfs/dbraw/zinc/16/52/37/304165237.db2.gz MNQAHKPYFFIDSL-CQSZACIVSA-N 2 2 332.448 1.953 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)(N2CCOCC2)C1 ZINC000195459099 139017239 /nfs/dbraw/zinc/01/72/39/139017239.db2.gz APUZVGJTWDSVJS-FDCMFXBMSA-N 2 2 337.508 1.471 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)(N2CCOCC2)C1 ZINC000195459099 139017240 /nfs/dbraw/zinc/01/72/40/139017240.db2.gz APUZVGJTWDSVJS-FDCMFXBMSA-N 2 2 337.508 1.471 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516009 139018931 /nfs/dbraw/zinc/01/89/31/139018931.db2.gz DRXQUMHNIJUFFF-KRWDZBQOSA-N 2 2 348.491 1.994 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516009 139018932 /nfs/dbraw/zinc/01/89/32/139018932.db2.gz DRXQUMHNIJUFFF-KRWDZBQOSA-N 2 2 348.491 1.994 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000236775360 139031000 /nfs/dbraw/zinc/03/10/00/139031000.db2.gz CJZIOKSWSSQRLZ-SFHVURJKSA-N 2 2 349.475 1.736 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)[NH+]1CCCC1 ZINC000237204053 139044135 /nfs/dbraw/zinc/04/41/35/139044135.db2.gz OAZWJVZZNDTEBO-HUUCEWRRSA-N 2 2 335.473 1.611 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000155947465 205052994 /nfs/dbraw/zinc/05/29/94/205052994.db2.gz HXHCAYDOFSKGAI-QGZVFWFLSA-N 2 2 341.521 1.090 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000128566158 205152198 /nfs/dbraw/zinc/15/21/98/205152198.db2.gz WOYUMKAQKZCODV-OAHLLOKOSA-N 2 2 330.363 1.676 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000128566158 205152200 /nfs/dbraw/zinc/15/22/00/205152200.db2.gz WOYUMKAQKZCODV-OAHLLOKOSA-N 2 2 330.363 1.676 20 0 EDADLP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415184330 304172089 /nfs/dbraw/zinc/17/20/89/304172089.db2.gz JTQJDOXRROABME-WBMJQRKESA-N 2 2 328.372 1.576 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237509740 139052928 /nfs/dbraw/zinc/05/29/28/139052928.db2.gz HVRRCKDBFJVRNL-JKSUJKDBSA-N 2 2 348.466 1.452 20 0 EDADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cnn(C)c1 ZINC000133578740 205372147 /nfs/dbraw/zinc/37/21/47/205372147.db2.gz IZAUOMHZVMYCOE-QGZVFWFLSA-N 2 2 343.479 1.463 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000238008570 139066244 /nfs/dbraw/zinc/06/62/44/139066244.db2.gz PMCSTKLDHKUTNH-SJORKVTESA-N 2 2 331.460 1.727 20 0 EDADLP O=C(CC1CC[NH2+]CC1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000238139481 139069464 /nfs/dbraw/zinc/06/94/64/139069464.db2.gz MJWXLRZCXZZMCE-OAHLLOKOSA-N 2 2 337.489 1.627 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000567677293 306458456 /nfs/dbraw/zinc/45/84/56/306458456.db2.gz OSKVALXZTRNCMJ-DZGCQCFKSA-N 2 2 333.388 1.088 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245453701 139075385 /nfs/dbraw/zinc/07/53/85/139075385.db2.gz RKJMBIHWMJDFMW-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245453701 139075386 /nfs/dbraw/zinc/07/53/86/139075386.db2.gz RKJMBIHWMJDFMW-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000245453701 139075387 /nfs/dbraw/zinc/07/53/87/139075387.db2.gz RKJMBIHWMJDFMW-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000245453701 139075388 /nfs/dbraw/zinc/07/53/88/139075388.db2.gz RKJMBIHWMJDFMW-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000155490278 206010480 /nfs/dbraw/zinc/01/04/80/206010480.db2.gz CXIWXVORQPCXRT-CQSZACIVSA-N 2 2 348.447 1.513 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000155490278 206010486 /nfs/dbraw/zinc/01/04/86/206010486.db2.gz CXIWXVORQPCXRT-CQSZACIVSA-N 2 2 348.447 1.513 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415271839 304182374 /nfs/dbraw/zinc/18/23/74/304182374.db2.gz OZHFTMRWYPAVOA-CYBMUJFWSA-N 2 2 340.383 1.762 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCOC[C@@H]3C[C@@H](C)O)c2cc1C ZINC000157012233 206110654 /nfs/dbraw/zinc/11/06/54/206110654.db2.gz PWNJNYLFAJFCMK-IKGGRYGDSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCOC[C@@H]3C[C@@H](C)O)c2cc1C ZINC000157012233 206110658 /nfs/dbraw/zinc/11/06/58/206110658.db2.gz PWNJNYLFAJFCMK-IKGGRYGDSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000567817362 306464218 /nfs/dbraw/zinc/46/42/18/306464218.db2.gz GSBFYGFLTNKGRM-MRXNPFEDSA-N 2 2 341.459 1.241 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000246728675 139119014 /nfs/dbraw/zinc/11/90/14/139119014.db2.gz XICZMWDYRJVVIA-GOEBONIOSA-N 2 2 342.447 1.749 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000246728675 139119015 /nfs/dbraw/zinc/11/90/15/139119015.db2.gz XICZMWDYRJVVIA-GOEBONIOSA-N 2 2 342.447 1.749 20 0 EDADLP CC[NH+](CC)CCN1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000359907874 284623748 /nfs/dbraw/zinc/62/37/48/284623748.db2.gz ZNJNDRMLDREMJS-QGZVFWFLSA-N 2 2 329.448 1.457 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247937490 139155863 /nfs/dbraw/zinc/15/58/63/139155863.db2.gz CQBFPVXUIADIIW-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247937490 139155864 /nfs/dbraw/zinc/15/58/64/139155864.db2.gz CQBFPVXUIADIIW-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247937490 139155865 /nfs/dbraw/zinc/15/58/65/139155865.db2.gz CQBFPVXUIADIIW-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247937490 139155866 /nfs/dbraw/zinc/15/58/66/139155866.db2.gz CQBFPVXUIADIIW-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000248840253 139177169 /nfs/dbraw/zinc/17/71/69/139177169.db2.gz LFTOZEHCTDLXOE-RBSFLKMASA-N 2 2 348.495 1.890 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+]1CCO ZINC000249493364 139194295 /nfs/dbraw/zinc/19/42/95/139194295.db2.gz FWJZOQJFZLSQRY-IEBWSBKVSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1CCO ZINC000249493364 139194296 /nfs/dbraw/zinc/19/42/96/139194296.db2.gz FWJZOQJFZLSQRY-IEBWSBKVSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000249493364 139194297 /nfs/dbraw/zinc/19/42/97/139194297.db2.gz FWJZOQJFZLSQRY-IEBWSBKVSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000249493364 139194298 /nfs/dbraw/zinc/19/42/98/139194298.db2.gz FWJZOQJFZLSQRY-IEBWSBKVSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@H]1O ZINC000249542109 139195303 /nfs/dbraw/zinc/19/53/03/139195303.db2.gz FFHUBYTVOJEUIZ-CRAIPNDOSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@H]1O ZINC000249542109 139195304 /nfs/dbraw/zinc/19/53/04/139195304.db2.gz FFHUBYTVOJEUIZ-CRAIPNDOSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000261643352 139213726 /nfs/dbraw/zinc/21/37/26/139213726.db2.gz XEEHRKXBIMWNGZ-CYBMUJFWSA-N 2 2 327.226 1.453 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000261643352 139213727 /nfs/dbraw/zinc/21/37/27/139213727.db2.gz XEEHRKXBIMWNGZ-CYBMUJFWSA-N 2 2 327.226 1.453 20 0 EDADLP COc1cc(C[NH+]2CCC([NH3+])CC2)cc(Cl)c1OCC(N)=O ZINC000261644894 139213952 /nfs/dbraw/zinc/21/39/52/139213952.db2.gz JCNWRWLBBVDTDD-UHFFFAOYSA-N 2 2 327.812 1.136 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261713149 139219820 /nfs/dbraw/zinc/21/98/20/139219820.db2.gz PXQWWQFPDGJXIS-WMZOPIPTSA-N 2 2 330.476 1.186 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000261697813 139218520 /nfs/dbraw/zinc/21/85/20/139218520.db2.gz LFTPSMNAIYHUCE-SFHVURJKSA-N 2 2 330.432 1.423 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000261697813 139218521 /nfs/dbraw/zinc/21/85/21/139218521.db2.gz LFTPSMNAIYHUCE-SFHVURJKSA-N 2 2 330.432 1.423 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000261763019 139223930 /nfs/dbraw/zinc/22/39/30/139223930.db2.gz NQRSSXLNCJXQIE-HZPDHXFCSA-N 2 2 345.491 1.932 20 0 EDADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000261762481 139223935 /nfs/dbraw/zinc/22/39/35/139223935.db2.gz VXZDFPRDXHBNBF-LJQANCHMSA-N 2 2 336.439 1.440 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1C ZINC000261800767 139227234 /nfs/dbraw/zinc/22/72/34/139227234.db2.gz RTSFCORMHPKKIA-UHFFFAOYSA-N 2 2 343.479 1.594 20 0 EDADLP C[C@@H](c1cccc(NC(=O)C2([NH3+])CCOCC2)c1)[NH+]1CCOCC1 ZINC000261921071 139237235 /nfs/dbraw/zinc/23/72/35/139237235.db2.gz UXXGLLRVWZYYSR-AWEZNQCLSA-N 2 2 333.432 1.526 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261966107 139240491 /nfs/dbraw/zinc/24/04/91/139240491.db2.gz QBBOVHFGAAASAQ-OTWHNJEPSA-N 3 2 338.540 1.007 20 0 EDADLP C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000262038213 139245676 /nfs/dbraw/zinc/24/56/76/139245676.db2.gz XYHORGRSYXAHOC-RISCZKNCSA-N 2 2 340.265 1.907 20 0 EDADLP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000262038213 139245677 /nfs/dbraw/zinc/24/56/77/139245677.db2.gz XYHORGRSYXAHOC-RISCZKNCSA-N 2 2 340.265 1.907 20 0 EDADLP CCO[C@@H](C)c1noc(CN2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262039568 139245815 /nfs/dbraw/zinc/24/58/15/139245815.db2.gz OZOHHJBCOSTNJE-WMLDXEAASA-N 2 2 337.468 1.284 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000262156575 139255926 /nfs/dbraw/zinc/25/59/26/139255926.db2.gz RZFJDUFOAFSVJY-KRWDZBQOSA-N 2 2 340.427 1.738 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000262156575 139255927 /nfs/dbraw/zinc/25/59/27/139255927.db2.gz RZFJDUFOAFSVJY-KRWDZBQOSA-N 2 2 340.427 1.738 20 0 EDADLP [NH3+][C@H](CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000415544019 250998742 /nfs/dbraw/zinc/99/87/42/250998742.db2.gz ZBCXZXUFAYWMMM-MRXNPFEDSA-N 2 2 340.383 1.666 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000416439899 251069479 /nfs/dbraw/zinc/06/94/79/251069479.db2.gz CIIQFBNKMAWMQN-XKQJLSEDSA-N 2 2 345.422 1.937 20 0 EDADLP [NH3+]Cc1nc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)no1 ZINC000262297322 139267734 /nfs/dbraw/zinc/26/77/34/139267734.db2.gz WVLDOXMUJFBBHC-UHFFFAOYSA-N 2 2 327.432 1.803 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000417010051 251130207 /nfs/dbraw/zinc/13/02/07/251130207.db2.gz OJRDMBWDFBTFBT-WBVHZDCISA-N 2 2 334.464 1.487 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262323188 139270069 /nfs/dbraw/zinc/27/00/69/139270069.db2.gz CZFCEGFMIPBPLR-UHOFOFEASA-N 2 2 337.851 1.268 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416998216 251124691 /nfs/dbraw/zinc/12/46/91/251124691.db2.gz YIIJJUBPWSVZJW-XJFOESAGSA-N 2 2 335.452 1.230 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000416998970 251124714 /nfs/dbraw/zinc/12/47/14/251124714.db2.gz SZHQHIFNICJHTC-OAHLLOKOSA-N 2 2 349.385 1.728 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C[C@H]2COCC[NH2+]2)C[C@@H](C)O1 ZINC000262347691 139272050 /nfs/dbraw/zinc/27/20/50/139272050.db2.gz IQMIYDQMGGVYHV-INMHGKMJSA-N 2 2 347.459 1.613 20 0 EDADLP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]([NH3+])COC)CC2)cs1 ZINC000262376669 139274347 /nfs/dbraw/zinc/27/43/47/139274347.db2.gz XIPGOMQLQNDKIS-AWEZNQCLSA-N 2 2 340.493 1.007 20 0 EDADLP COCC1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]CC1 ZINC000262382533 139275012 /nfs/dbraw/zinc/27/50/12/139275012.db2.gz OCTBXUFNIWAVFW-UHFFFAOYSA-N 2 2 346.406 1.644 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000417653819 251213686 /nfs/dbraw/zinc/21/36/86/251213686.db2.gz BONVDMWNODDWFN-SWLSCSKDSA-N 2 2 340.418 1.866 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262409625 139277078 /nfs/dbraw/zinc/27/70/78/139277078.db2.gz QLPKEPXJORJSGG-MAUKXSAKSA-N 2 2 325.416 1.663 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262443624 139279438 /nfs/dbraw/zinc/27/94/38/139279438.db2.gz IDHZKKUGXZGNMA-HUUCEWRRSA-N 2 2 336.455 1.450 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417837208 251292266 /nfs/dbraw/zinc/29/22/66/251292266.db2.gz HUMFJLOPQAERGS-OAHLLOKOSA-N 2 2 329.448 1.781 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000418445045 251371809 /nfs/dbraw/zinc/37/18/09/251371809.db2.gz MUYMTOWIZVXSLI-DOTOQJQBSA-N 2 2 333.480 1.987 20 0 EDADLP C[NH2+]CCCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000418305331 251358264 /nfs/dbraw/zinc/35/82/64/251358264.db2.gz HPDDMSWUCUNOBQ-UHFFFAOYSA-N 2 2 325.482 1.278 20 0 EDADLP C[NH2+]CCCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000418305331 251358267 /nfs/dbraw/zinc/35/82/67/251358267.db2.gz HPDDMSWUCUNOBQ-UHFFFAOYSA-N 2 2 325.482 1.278 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418726838 251398998 /nfs/dbraw/zinc/39/89/98/251398998.db2.gz MCHAOENKRWSDGD-MGPQQGTHSA-N 2 2 330.423 1.499 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC2)s1 ZINC000418702364 251388668 /nfs/dbraw/zinc/38/86/68/251388668.db2.gz DMZQVDJDNUSFNB-GFCCVEGCSA-N 2 2 347.435 1.261 20 0 EDADLP C[C@@H]1SCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645233662 452226067 /nfs/dbraw/zinc/22/60/67/452226067.db2.gz HEFLSVYKYVCWDD-KCQAQPDRSA-N 2 2 326.510 1.348 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[NH2+]CC3CC3)CC2)c1 ZINC000262634544 139291866 /nfs/dbraw/zinc/29/18/66/139291866.db2.gz HCKIQTUSXNWMGE-OAHLLOKOSA-N 2 2 331.460 1.900 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2csc(C[NH3+])n2)cc1 ZINC000262653696 139293382 /nfs/dbraw/zinc/29/33/82/139293382.db2.gz BLJMODAKTYSAJG-UHFFFAOYSA-N 2 2 333.417 1.354 20 0 EDADLP C[C@@H]1SCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645233662 452226074 /nfs/dbraw/zinc/22/60/74/452226074.db2.gz HEFLSVYKYVCWDD-KCQAQPDRSA-N 2 2 326.510 1.348 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2ccccc2N)([NH+]2CCCCC2)CC1 ZINC000262696112 139297025 /nfs/dbraw/zinc/29/70/25/139297025.db2.gz DTYGIJWIXLIICF-UHFFFAOYSA-N 2 2 330.476 1.949 20 0 EDADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)cn2)c[nH+]1 ZINC000177348576 207325583 /nfs/dbraw/zinc/32/55/83/207325583.db2.gz ICQPZZYIBWCPDM-QGZVFWFLSA-N 2 2 327.432 1.564 20 0 EDADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)cn2)c[nH+]1 ZINC000177348576 207325587 /nfs/dbraw/zinc/32/55/87/207325587.db2.gz ICQPZZYIBWCPDM-QGZVFWFLSA-N 2 2 327.432 1.564 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000177460302 207340216 /nfs/dbraw/zinc/34/02/16/207340216.db2.gz SXCBFQJXARXVMW-DLBZAZTESA-N 2 2 345.491 1.193 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000177460319 207340713 /nfs/dbraw/zinc/34/07/13/207340713.db2.gz SXCBFQJXARXVMW-IRXDYDNUSA-N 2 2 345.491 1.193 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2n[nH]c3c2C[NH2+]CC3)o1 ZINC000262825472 139306223 /nfs/dbraw/zinc/30/62/23/139306223.db2.gz YCPWSDREXYZJKH-UHFFFAOYSA-N 2 2 331.420 1.161 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422893083 252013224 /nfs/dbraw/zinc/01/32/24/252013224.db2.gz OQTOKFWOWUHTMQ-FHWLQOOXSA-N 2 2 334.460 1.867 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@H]1CCC[NH2+]1 ZINC000422908337 252017952 /nfs/dbraw/zinc/01/79/52/252017952.db2.gz YGWNMMGHZGJSHU-XNRPHZJLSA-N 2 2 333.432 1.041 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000153225482 224076053 /nfs/dbraw/zinc/07/60/53/224076053.db2.gz NEUBHAHIZQXGGH-MRXNPFEDSA-N 2 2 343.475 1.930 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000422829740 251992552 /nfs/dbraw/zinc/99/25/52/251992552.db2.gz HVGDJSTWROLPRN-SJORKVTESA-N 2 2 328.416 1.315 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000422860731 252002964 /nfs/dbraw/zinc/00/29/64/252002964.db2.gz MUAYEKYCJYPZNS-HOTGVXAUSA-N 3 2 325.497 1.629 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000422860731 252002967 /nfs/dbraw/zinc/00/29/67/252002967.db2.gz MUAYEKYCJYPZNS-HOTGVXAUSA-N 3 2 325.497 1.629 20 0 EDADLP CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCC[NH2+]1 ZINC000422862818 252003972 /nfs/dbraw/zinc/00/39/72/252003972.db2.gz QKZILPCOHKXCCO-DLBZAZTESA-N 2 2 340.489 1.979 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423070468 252033079 /nfs/dbraw/zinc/03/30/79/252033079.db2.gz CSDYWTNTYNVOFF-BBRMVZONSA-N 2 2 326.462 1.194 20 0 EDADLP FC(F)COc1cnccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423093703 252036841 /nfs/dbraw/zinc/03/68/41/252036841.db2.gz ACPWZMCOPJCGRC-HOCLYGCPSA-N 2 2 327.375 1.582 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423784120 252072230 /nfs/dbraw/zinc/07/22/30/252072230.db2.gz PJVSHMSHTGDWMC-QGZVFWFLSA-N 2 2 325.416 1.442 20 0 EDADLP Cc1nc(N2CCN(C(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000423779983 252071042 /nfs/dbraw/zinc/07/10/42/252071042.db2.gz JBSIOBRMTDGLNW-AWEZNQCLSA-N 2 2 331.464 1.459 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000423789744 252076073 /nfs/dbraw/zinc/07/60/73/252076073.db2.gz XARPYBBPAFOMPT-MRXNPFEDSA-N 2 2 343.406 1.315 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000424340652 252198953 /nfs/dbraw/zinc/19/89/53/252198953.db2.gz YNSQNEVRPMNUMC-HZPDHXFCSA-N 3 2 336.505 1.252 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000424340652 252198958 /nfs/dbraw/zinc/19/89/58/252198958.db2.gz YNSQNEVRPMNUMC-HZPDHXFCSA-N 2 2 336.505 1.252 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ncc(-c2ccccc2)n1C ZINC000569711531 306517319 /nfs/dbraw/zinc/51/73/19/306517319.db2.gz IHSCCHYSEDOAHS-AWEZNQCLSA-N 2 2 327.432 1.170 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]1CCO)N1CC[NH+](Cc2ccsc2)CC1 ZINC000426202839 252323714 /nfs/dbraw/zinc/32/37/14/252323714.db2.gz HGTRENPNYYWSTM-INIZCTEOSA-N 2 2 337.489 1.239 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]1CCO)N1CC[NH+](Cc2ccsc2)CC1 ZINC000426202839 252323717 /nfs/dbraw/zinc/32/37/17/252323717.db2.gz HGTRENPNYYWSTM-INIZCTEOSA-N 2 2 337.489 1.239 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c2[nH+]ccn21 ZINC000570020169 306528196 /nfs/dbraw/zinc/52/81/96/306528196.db2.gz VSBDRKCIXSTVTJ-FXUDXRNXSA-N 2 2 347.463 1.832 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000491984703 255157321 /nfs/dbraw/zinc/15/73/21/255157321.db2.gz QMOKUOXYNUEBDU-SNAWJCMRSA-N 2 2 328.420 1.435 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904787 255187165 /nfs/dbraw/zinc/18/71/65/255187165.db2.gz XURVACQFASOMBP-JDZPGQNUSA-N 2 2 342.447 1.698 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904787 255187166 /nfs/dbraw/zinc/18/71/66/255187166.db2.gz XURVACQFASOMBP-JDZPGQNUSA-N 2 2 342.447 1.698 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000495230244 255274543 /nfs/dbraw/zinc/27/45/43/255274543.db2.gz DOFUIEXDCVKAMA-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000495230244 255274544 /nfs/dbraw/zinc/27/45/44/255274544.db2.gz DOFUIEXDCVKAMA-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000495230244 255274545 /nfs/dbraw/zinc/27/45/45/255274545.db2.gz DOFUIEXDCVKAMA-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000495230244 255274546 /nfs/dbraw/zinc/27/45/46/255274546.db2.gz DOFUIEXDCVKAMA-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP COC(=O)C(C)(C)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000494455430 255251507 /nfs/dbraw/zinc/25/15/07/255251507.db2.gz VLZOLEIQXXXTBS-UHFFFAOYSA-N 2 2 342.443 1.942 20 0 EDADLP C[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494709290 255259188 /nfs/dbraw/zinc/25/91/88/255259188.db2.gz NOQRRAKNJWADJN-KBPBESRZSA-N 2 2 328.420 1.193 20 0 EDADLP C[NH+](C)CCOc1cnccc1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000494718980 255259584 /nfs/dbraw/zinc/25/95/84/255259584.db2.gz QOIOBXNEYUZAIT-UHFFFAOYSA-N 2 2 331.420 1.339 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000263880751 139366781 /nfs/dbraw/zinc/36/67/81/139366781.db2.gz BRQXIMMXYFQHJE-UHFFFAOYSA-N 2 2 344.459 1.963 20 0 EDADLP O[C@H](CN1CC[NH+](C/C=C\c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000337464128 285302990 /nfs/dbraw/zinc/30/29/90/285302990.db2.gz RIKVGPHDNQZTAA-DHBDYNCWSA-N 2 2 345.487 1.011 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@H](C)[C@H]2C)C1 ZINC000118414207 221148311 /nfs/dbraw/zinc/14/83/11/221148311.db2.gz GKUXXPFSJUZCFX-BZUAXINKSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@H](C)[C@H]2C)C1 ZINC000118414207 221148313 /nfs/dbraw/zinc/14/83/13/221148313.db2.gz GKUXXPFSJUZCFX-BZUAXINKSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCS[C@H](C)[C@H]2C)C1 ZINC000118414207 221148315 /nfs/dbraw/zinc/14/83/15/221148315.db2.gz GKUXXPFSJUZCFX-BZUAXINKSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCS[C@H](C)[C@H]2C)C1 ZINC000118414207 221148317 /nfs/dbraw/zinc/14/83/17/221148317.db2.gz GKUXXPFSJUZCFX-BZUAXINKSA-N 2 2 343.537 1.285 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000119760914 221395316 /nfs/dbraw/zinc/39/53/16/221395316.db2.gz DYKSFCIHEXFZEQ-KGLIPLIRSA-N 2 2 333.432 1.619 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000264200162 139386268 /nfs/dbraw/zinc/38/62/68/139386268.db2.gz PYVYKIFPLQSBTA-UHFFFAOYSA-N 2 2 343.431 1.252 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)cn2c1 ZINC000416043593 304286832 /nfs/dbraw/zinc/28/68/32/304286832.db2.gz LDHFNYTUBDRKQZ-LLVKDONJSA-N 2 2 329.326 1.722 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCSC1 ZINC000269834823 140003204 /nfs/dbraw/zinc/00/32/04/140003204.db2.gz AEZMCDVEYSXIFQ-YOEHRIQHSA-N 2 2 349.504 1.397 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269921789 140018873 /nfs/dbraw/zinc/01/88/73/140018873.db2.gz GOWHGYMMYJKBAR-IIAWOOMASA-N 2 2 329.448 1.442 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269921789 140018874 /nfs/dbraw/zinc/01/88/74/140018874.db2.gz GOWHGYMMYJKBAR-IIAWOOMASA-N 2 2 329.448 1.442 20 0 EDADLP CS[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1[NH+](C)C ZINC000270767420 140165031 /nfs/dbraw/zinc/16/50/31/140165031.db2.gz QCHMAZCIKWEKSO-JKSUJKDBSA-N 2 2 330.457 1.990 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(N(C)C)n2)CC1 ZINC000271847689 140360721 /nfs/dbraw/zinc/36/07/21/140360721.db2.gz VEQWKZUSLBAVLW-UHFFFAOYSA-N 2 2 334.464 1.655 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccco2)C[C@H]1C ZINC000331624152 141058556 /nfs/dbraw/zinc/05/85/56/141058556.db2.gz FVWJELTZRLDSJB-KGLIPLIRSA-N 2 2 336.436 1.410 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccco2)C[C@H]1C ZINC000331624152 141058558 /nfs/dbraw/zinc/05/85/58/141058558.db2.gz FVWJELTZRLDSJB-KGLIPLIRSA-N 2 2 336.436 1.410 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCc2ccco2)C[C@H]1C ZINC000331624152 141058559 /nfs/dbraw/zinc/05/85/59/141058559.db2.gz FVWJELTZRLDSJB-KGLIPLIRSA-N 2 2 336.436 1.410 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccco2)C[C@H]1C ZINC000331624152 141058560 /nfs/dbraw/zinc/05/85/60/141058560.db2.gz FVWJELTZRLDSJB-KGLIPLIRSA-N 2 2 336.436 1.410 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331835212 141086800 /nfs/dbraw/zinc/08/68/00/141086800.db2.gz AQRYHOLTDYNKPP-VQHPVUNQSA-N 2 2 347.507 1.872 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CC[NH2+]C[C@@H]3C)c[nH+]2)CC1 ZINC000332059575 141116309 /nfs/dbraw/zinc/11/63/09/141116309.db2.gz OWUIBQTXHZXENR-HNNXBMFYSA-N 2 2 331.464 1.821 20 0 EDADLP Cc1cc(C)c(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000332625562 141217887 /nfs/dbraw/zinc/21/78/87/141217887.db2.gz PQGWYFSMJZBQOI-UHFFFAOYSA-N 2 2 333.436 1.292 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H](C)O1 ZINC000332819248 141239479 /nfs/dbraw/zinc/23/94/79/141239479.db2.gz DOKUNARBGGNHEW-KFWWJZLASA-N 2 2 334.464 1.450 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333383169 141309337 /nfs/dbraw/zinc/30/93/37/141309337.db2.gz NSUULKSBFHTZSF-IRXDYDNUSA-N 2 2 343.475 1.965 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333389683 141310298 /nfs/dbraw/zinc/31/02/98/141310298.db2.gz OORUBGNNVQLODI-MRXNPFEDSA-N 2 2 338.496 1.128 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333389683 141310299 /nfs/dbraw/zinc/31/02/99/141310299.db2.gz OORUBGNNVQLODI-MRXNPFEDSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1[NH+]1CCOCC1 ZINC000333464768 141321325 /nfs/dbraw/zinc/32/13/25/141321325.db2.gz QKMRGOASXSGQBL-PMPSAXMXSA-N 2 2 347.463 1.123 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000333467694 141322207 /nfs/dbraw/zinc/32/22/07/141322207.db2.gz AEAZNAFCGTVWIK-UHOFOFEASA-N 2 2 338.402 1.843 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000333467694 141322209 /nfs/dbraw/zinc/32/22/09/141322209.db2.gz AEAZNAFCGTVWIK-UHOFOFEASA-N 2 2 338.402 1.843 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cn2cc[nH+]c12 ZINC000333721003 141365982 /nfs/dbraw/zinc/36/59/82/141365982.db2.gz VFOMEHGSWWQZFT-HUUCEWRRSA-N 2 2 329.404 1.580 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cn2cc[nH+]c12 ZINC000333721003 141365984 /nfs/dbraw/zinc/36/59/84/141365984.db2.gz VFOMEHGSWWQZFT-HUUCEWRRSA-N 2 2 329.404 1.580 20 0 EDADLP CC(C)C[C@@H](CNC(=O)N1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000339612826 142093550 /nfs/dbraw/zinc/09/35/50/142093550.db2.gz GFXGXNUYSVCMLH-KRWDZBQOSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000339616234 142095323 /nfs/dbraw/zinc/09/53/23/142095323.db2.gz ZPIFSLSUTACCQK-INIZCTEOSA-N 2 2 337.468 1.238 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC=C(C)CC3)CC2)cc1 ZINC000339628859 142099931 /nfs/dbraw/zinc/09/99/31/142099931.db2.gz NSNWRHJTJQMUJT-UHFFFAOYSA-N 2 2 343.471 1.991 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC=C(C)CC3)CC2)cc1 ZINC000339628859 142099932 /nfs/dbraw/zinc/09/99/32/142099932.db2.gz NSNWRHJTJQMUJT-UHFFFAOYSA-N 2 2 343.471 1.991 20 0 EDADLP O=C(C[N@@H+]1CCOC[C@H]1CC1CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000339778333 142152762 /nfs/dbraw/zinc/15/27/62/142152762.db2.gz RMQCGLAEIZGFBG-GOSISDBHSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(C[N@H+]1CCOC[C@H]1CC1CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000339778333 142152763 /nfs/dbraw/zinc/15/27/63/142152763.db2.gz RMQCGLAEIZGFBG-GOSISDBHSA-N 2 2 335.492 1.620 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000339936165 142205132 /nfs/dbraw/zinc/20/51/32/142205132.db2.gz MUTJGTXZVAOOSH-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCC(F)(F)C2)CC1 ZINC000340247701 142318651 /nfs/dbraw/zinc/31/86/51/142318651.db2.gz ASFNWJYHYDSXLK-CYBMUJFWSA-N 2 2 332.439 1.890 20 0 EDADLP CO[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000340257193 142322044 /nfs/dbraw/zinc/32/20/44/142322044.db2.gz SQVUZOUSMDYTCI-HUUCEWRRSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@H](CO)CCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340269428 142326005 /nfs/dbraw/zinc/32/60/05/142326005.db2.gz WJHKXEQXORGUSB-HNNXBMFYSA-N 2 2 328.501 1.062 20 0 EDADLP C[C@H](CO)CCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340269428 142326006 /nfs/dbraw/zinc/32/60/06/142326006.db2.gz WJHKXEQXORGUSB-HNNXBMFYSA-N 2 2 328.501 1.062 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345732985 143127060 /nfs/dbraw/zinc/12/70/60/143127060.db2.gz BZSBDQYGIPQHDY-UHFFFAOYSA-N 2 2 342.443 1.957 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000346023104 143158494 /nfs/dbraw/zinc/15/84/94/143158494.db2.gz YNELHGLJYIHJCT-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000346023104 143158495 /nfs/dbraw/zinc/15/84/95/143158495.db2.gz YNELHGLJYIHJCT-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@@H]1[NH+](C)C ZINC000346041666 143160715 /nfs/dbraw/zinc/16/07/15/143160715.db2.gz MNKZMDSFARXYPG-LVQVYYBASA-N 2 2 348.516 1.658 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@H](C)N1CCOCC1 ZINC000346061716 143163171 /nfs/dbraw/zinc/16/31/71/143163171.db2.gz BAOUKWYJRNEDQQ-SJORKVTESA-N 2 2 332.492 1.745 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](F)C[C@@H]3CO)CC2)c1 ZINC000346346691 143194652 /nfs/dbraw/zinc/19/46/52/143194652.db2.gz ARROIACXCSZRCD-QZTJIDSGSA-N 2 2 349.450 1.044 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](F)C[C@@H]3CO)CC2)c1 ZINC000346346691 143194653 /nfs/dbraw/zinc/19/46/53/143194653.db2.gz ARROIACXCSZRCD-QZTJIDSGSA-N 2 2 349.450 1.044 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC000346642841 143225305 /nfs/dbraw/zinc/22/53/05/143225305.db2.gz MFDPNHPCIJDABC-LJQANCHMSA-N 2 2 332.492 1.617 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1 ZINC000346642841 143225306 /nfs/dbraw/zinc/22/53/06/143225306.db2.gz MFDPNHPCIJDABC-LJQANCHMSA-N 2 2 332.492 1.617 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cn1C ZINC000346662725 143228231 /nfs/dbraw/zinc/22/82/31/143228231.db2.gz PJQFJUBDENOLBW-BBRMVZONSA-N 2 2 332.404 1.555 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(C(F)(F)F)ccc1F ZINC000346996967 143269425 /nfs/dbraw/zinc/26/94/25/143269425.db2.gz DLXFSCQGQIJASP-UHFFFAOYSA-N 2 2 333.329 1.708 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(C(F)(F)F)ccc1F ZINC000346996967 143269426 /nfs/dbraw/zinc/26/94/26/143269426.db2.gz DLXFSCQGQIJASP-UHFFFAOYSA-N 2 2 333.329 1.708 20 0 EDADLP COc1c(Cl)cc(Cl)cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347192211 143293203 /nfs/dbraw/zinc/29/32/03/143293203.db2.gz FSWMCECVJGWNCM-UHFFFAOYSA-N 2 2 346.258 1.866 20 0 EDADLP COc1c(Cl)cc(Cl)cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347192211 143293204 /nfs/dbraw/zinc/29/32/04/143293204.db2.gz FSWMCECVJGWNCM-UHFFFAOYSA-N 2 2 346.258 1.866 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347371626 143313790 /nfs/dbraw/zinc/31/37/90/143313790.db2.gz PCSOVBKRBFAQCQ-RBUKOAKNSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347371626 143313791 /nfs/dbraw/zinc/31/37/91/143313791.db2.gz PCSOVBKRBFAQCQ-RBUKOAKNSA-N 2 2 343.471 1.875 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC[N@@H+]([C@H](C)CO)CC3)ccc2[nH+]1 ZINC000347516566 143331343 /nfs/dbraw/zinc/33/13/43/143331343.db2.gz LQNPOPBVWKHGJG-CQSZACIVSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC[N@H+]([C@H](C)CO)CC3)ccc2[nH+]1 ZINC000347516566 143331344 /nfs/dbraw/zinc/33/13/44/143331344.db2.gz LQNPOPBVWKHGJG-CQSZACIVSA-N 2 2 331.420 1.563 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000347727944 143355214 /nfs/dbraw/zinc/35/52/14/143355214.db2.gz BOIAJEQLAVJFMH-UHFFFAOYSA-N 2 2 327.476 1.717 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000347727944 143355215 /nfs/dbraw/zinc/35/52/15/143355215.db2.gz BOIAJEQLAVJFMH-UHFFFAOYSA-N 2 2 327.476 1.717 20 0 EDADLP CN(CCc1c[nH+]cn1C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000347727944 143355216 /nfs/dbraw/zinc/35/52/16/143355216.db2.gz BOIAJEQLAVJFMH-UHFFFAOYSA-N 2 2 327.476 1.717 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CCCCCC1 ZINC000350021942 143526507 /nfs/dbraw/zinc/52/65/07/143526507.db2.gz ZPNMIWPLRBFDJH-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CCCCCC1 ZINC000350021942 143526508 /nfs/dbraw/zinc/52/65/08/143526508.db2.gz ZPNMIWPLRBFDJH-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369684634 155135208 /nfs/dbraw/zinc/13/52/08/155135208.db2.gz WJTPPNMNMXVBPD-CYBMUJFWSA-N 2 2 331.420 1.710 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000369684634 155135210 /nfs/dbraw/zinc/13/52/10/155135210.db2.gz WJTPPNMNMXVBPD-CYBMUJFWSA-N 2 2 331.420 1.710 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CCCC[NH2+]C1 ZINC000573074056 306610471 /nfs/dbraw/zinc/61/04/71/306610471.db2.gz RJBNUVMFQFSJQD-KRWDZBQOSA-N 2 2 327.432 1.873 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416820435 304350304 /nfs/dbraw/zinc/35/03/04/304350304.db2.gz UEEMULZYEIPHKF-GOSISDBHSA-N 2 2 346.475 1.329 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416820435 304350308 /nfs/dbraw/zinc/35/03/08/304350308.db2.gz UEEMULZYEIPHKF-GOSISDBHSA-N 2 2 346.475 1.329 20 0 EDADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(Br)c1 ZINC000352737691 149137198 /nfs/dbraw/zinc/13/71/98/149137198.db2.gz LEMQKFNKTIHZNE-AWEZNQCLSA-N 2 2 329.238 1.614 20 0 EDADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(Br)c1 ZINC000352737691 149137199 /nfs/dbraw/zinc/13/71/99/149137199.db2.gz LEMQKFNKTIHZNE-AWEZNQCLSA-N 2 2 329.238 1.614 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000352874870 149199152 /nfs/dbraw/zinc/19/91/52/149199152.db2.gz PAANXXSZDLWOLF-UHFFFAOYSA-N 2 2 344.459 1.962 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352874870 149199155 /nfs/dbraw/zinc/19/91/55/149199155.db2.gz PAANXXSZDLWOLF-UHFFFAOYSA-N 2 2 344.459 1.962 20 0 EDADLP CCc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)s1 ZINC000353087415 149281712 /nfs/dbraw/zinc/28/17/12/149281712.db2.gz KRVYOVGNCRVRPJ-AGUYFDCRSA-N 2 2 336.505 1.879 20 0 EDADLP CCc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)s1 ZINC000353087415 149281718 /nfs/dbraw/zinc/28/17/18/149281718.db2.gz KRVYOVGNCRVRPJ-AGUYFDCRSA-N 2 2 336.505 1.879 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000353174714 149312667 /nfs/dbraw/zinc/31/26/67/149312667.db2.gz FGMDDWPBSBKQNV-HXUWFJFHSA-N 3 2 340.471 1.874 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000353174714 149312672 /nfs/dbraw/zinc/31/26/72/149312672.db2.gz FGMDDWPBSBKQNV-HXUWFJFHSA-N 3 2 340.471 1.874 20 0 EDADLP Cc1cnc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000353366461 149381137 /nfs/dbraw/zinc/38/11/37/149381137.db2.gz VCOZBNVAMKEBOA-SFHVURJKSA-N 2 2 333.480 1.012 20 0 EDADLP Cc1cnc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000353366461 149381138 /nfs/dbraw/zinc/38/11/38/149381138.db2.gz VCOZBNVAMKEBOA-SFHVURJKSA-N 2 2 333.480 1.012 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@H]1[NH3+] ZINC000416964028 304356476 /nfs/dbraw/zinc/35/64/76/304356476.db2.gz VIXVLCRZFFLEDB-GOEBONIOSA-N 2 2 327.432 1.463 20 0 EDADLP C[NH2+]CCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416976888 304359379 /nfs/dbraw/zinc/35/93/79/304359379.db2.gz AIKTZBMIIUIMLU-KBPBESRZSA-N 2 2 335.452 1.104 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354988672 150067207 /nfs/dbraw/zinc/06/72/07/150067207.db2.gz ZRFWNDLIZJLXEV-HZPDHXFCSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354988672 150067210 /nfs/dbraw/zinc/06/72/10/150067210.db2.gz ZRFWNDLIZJLXEV-HZPDHXFCSA-N 2 2 346.475 1.476 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCCN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000355471321 150282676 /nfs/dbraw/zinc/28/26/76/150282676.db2.gz JSWBHEDAFFKKEE-INIZCTEOSA-N 2 2 338.883 1.306 20 0 EDADLP O=C(N1CC[NH+](CC2CCCCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000355571687 150319382 /nfs/dbraw/zinc/31/93/82/150319382.db2.gz DCLGHFSMENSYBA-UHFFFAOYSA-N 2 2 349.519 1.966 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417032755 304363152 /nfs/dbraw/zinc/36/31/52/304363152.db2.gz HPGDLVHDWRXTDU-MJGOQNOKSA-N 2 2 346.475 1.440 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000417039721 304364806 /nfs/dbraw/zinc/36/48/06/304364806.db2.gz OFHRWOWYOFFGRX-HYVNUMGLSA-N 2 2 332.448 1.049 20 0 EDADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370022086 155284704 /nfs/dbraw/zinc/28/47/04/155284704.db2.gz RTMHRMULUDKXML-AWEZNQCLSA-N 2 2 348.447 1.078 20 0 EDADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370022086 155284708 /nfs/dbraw/zinc/28/47/08/155284708.db2.gz RTMHRMULUDKXML-AWEZNQCLSA-N 2 2 348.447 1.078 20 0 EDADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)c(C)c1 ZINC000357647727 151099768 /nfs/dbraw/zinc/09/97/68/151099768.db2.gz KQNBOWXFZVFDLN-UHFFFAOYSA-N 2 2 333.476 1.939 20 0 EDADLP Cc1cc(C)c(NC(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)c(C)c1 ZINC000357647727 151099770 /nfs/dbraw/zinc/09/97/70/151099770.db2.gz KQNBOWXFZVFDLN-UHFFFAOYSA-N 2 2 333.476 1.939 20 0 EDADLP CC1CCC(N(C)C(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)CC1 ZINC000357650390 151101233 /nfs/dbraw/zinc/10/12/33/151101233.db2.gz RDVNEAZIWQOJAC-UHFFFAOYSA-N 2 2 325.497 1.412 20 0 EDADLP CC1CCC(N(C)C(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)CC1 ZINC000357650390 151101235 /nfs/dbraw/zinc/10/12/35/151101235.db2.gz RDVNEAZIWQOJAC-UHFFFAOYSA-N 2 2 325.497 1.412 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC1 ZINC000357842773 151169681 /nfs/dbraw/zinc/16/96/81/151169681.db2.gz XFBKJVLOEJEWPJ-MRXNPFEDSA-N 2 2 349.479 1.359 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)C1CC1 ZINC000357842773 151169682 /nfs/dbraw/zinc/16/96/82/151169682.db2.gz XFBKJVLOEJEWPJ-MRXNPFEDSA-N 2 2 349.479 1.359 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000358017604 151236054 /nfs/dbraw/zinc/23/60/54/151236054.db2.gz HUTCQOZJKKIYSQ-DVOMOZLQSA-N 2 2 325.478 1.538 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000358017604 151236058 /nfs/dbraw/zinc/23/60/58/151236058.db2.gz HUTCQOZJKKIYSQ-DVOMOZLQSA-N 2 2 325.478 1.538 20 0 EDADLP O=C(NCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccco1 ZINC000358067912 151256577 /nfs/dbraw/zinc/25/65/77/151256577.db2.gz YOKDIRLMOPPSJW-UHFFFAOYSA-N 2 2 328.416 1.659 20 0 EDADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000358256329 151319134 /nfs/dbraw/zinc/31/91/34/151319134.db2.gz RYRKIUWDHDOXPK-WBMJQRKESA-N 2 2 335.839 1.638 20 0 EDADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000358256329 151319135 /nfs/dbraw/zinc/31/91/35/151319135.db2.gz RYRKIUWDHDOXPK-WBMJQRKESA-N 2 2 335.839 1.638 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]([NH+]4CCCC4)C3)nc(N)c2cc1OC ZINC000078617627 286262778 /nfs/dbraw/zinc/26/27/78/286262778.db2.gz FBZLBGSFANUTSB-LBPRGKRZSA-N 2 2 343.431 1.904 20 0 EDADLP CC(C)[NH+](CCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1)C(C)C ZINC000360389185 152016494 /nfs/dbraw/zinc/01/64/94/152016494.db2.gz MVYSHOXKHUFONL-UHFFFAOYSA-N 2 2 338.540 1.782 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C2CC2)cc1 ZINC000360542054 152088055 /nfs/dbraw/zinc/08/80/55/152088055.db2.gz BTEDJNCRWMPZCB-FQEVSTJZSA-N 2 2 343.471 1.872 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C2CC2)cc1 ZINC000360542054 152088059 /nfs/dbraw/zinc/08/80/59/152088059.db2.gz BTEDJNCRWMPZCB-FQEVSTJZSA-N 2 2 343.471 1.872 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552902 152091992 /nfs/dbraw/zinc/09/19/92/152091992.db2.gz PSEQVVXAYFVCGP-ZRGWGRIASA-N 2 2 345.443 1.017 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552902 152091995 /nfs/dbraw/zinc/09/19/95/152091995.db2.gz PSEQVVXAYFVCGP-ZRGWGRIASA-N 2 2 345.443 1.017 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360563060 152097187 /nfs/dbraw/zinc/09/71/87/152097187.db2.gz NJIUIGUVDSPWPC-LJQANCHMSA-N 2 2 331.460 1.777 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360563060 152097191 /nfs/dbraw/zinc/09/71/91/152097191.db2.gz NJIUIGUVDSPWPC-LJQANCHMSA-N 2 2 331.460 1.777 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc(C4CCC4)n3C)C2)CC1 ZINC000360719159 152168817 /nfs/dbraw/zinc/16/88/17/152168817.db2.gz YQJKKBYCWQJKJD-KRWDZBQOSA-N 2 2 346.523 1.683 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc(C4CCC4)n3C)C2)CC1 ZINC000360719159 152168818 /nfs/dbraw/zinc/16/88/18/152168818.db2.gz YQJKKBYCWQJKJD-KRWDZBQOSA-N 2 2 346.523 1.683 20 0 EDADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000361035693 152285187 /nfs/dbraw/zinc/28/51/87/152285187.db2.gz OPSDJEVLZXTYOQ-SJORKVTESA-N 2 2 344.459 1.571 20 0 EDADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000361035693 152285188 /nfs/dbraw/zinc/28/51/88/152285188.db2.gz OPSDJEVLZXTYOQ-SJORKVTESA-N 2 2 344.459 1.571 20 0 EDADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361035693 152285190 /nfs/dbraw/zinc/28/51/90/152285190.db2.gz OPSDJEVLZXTYOQ-SJORKVTESA-N 2 2 344.459 1.571 20 0 EDADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000361035693 152285193 /nfs/dbraw/zinc/28/51/93/152285193.db2.gz OPSDJEVLZXTYOQ-SJORKVTESA-N 2 2 344.459 1.571 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2csc3nccn23)CC1 ZINC000361054767 152291307 /nfs/dbraw/zinc/29/13/07/152291307.db2.gz CBOWKUCRVVEHIQ-UHFFFAOYSA-N 2 2 335.477 1.081 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000361364583 152373151 /nfs/dbraw/zinc/37/31/51/152373151.db2.gz BRNJVAWLCFGLJB-SJLPKXTDSA-N 2 2 328.460 1.600 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000361364583 152373154 /nfs/dbraw/zinc/37/31/54/152373154.db2.gz BRNJVAWLCFGLJB-SJLPKXTDSA-N 2 2 328.460 1.600 20 0 EDADLP CC1(C)[C@H](O)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000361413383 152387052 /nfs/dbraw/zinc/38/70/52/152387052.db2.gz CVLGYKRLXORWHL-OAHLLOKOSA-N 2 2 337.489 1.238 20 0 EDADLP CC1(C)[C@H](O)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000361413383 152387054 /nfs/dbraw/zinc/38/70/54/152387054.db2.gz CVLGYKRLXORWHL-OAHLLOKOSA-N 2 2 337.489 1.238 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000370165325 155357767 /nfs/dbraw/zinc/35/77/67/155357767.db2.gz VNPCBWAHICTSLZ-CVEARBPZSA-N 2 2 346.475 1.943 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417186649 304382018 /nfs/dbraw/zinc/38/20/18/304382018.db2.gz VMDXXMARPWUOSA-IAGOWNOFSA-N 2 2 334.464 1.405 20 0 EDADLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000364551347 153267670 /nfs/dbraw/zinc/26/76/70/153267670.db2.gz MOKMWKPMYDKMDM-JKSUJKDBSA-N 2 2 332.448 1.063 20 0 EDADLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000364551347 153267672 /nfs/dbraw/zinc/26/76/72/153267672.db2.gz MOKMWKPMYDKMDM-JKSUJKDBSA-N 2 2 332.448 1.063 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(c3cncc4nncn43)CC2)CC1 ZINC000364689831 153305043 /nfs/dbraw/zinc/30/50/43/153305043.db2.gz GZTNJMGSZOWXPO-UHFFFAOYSA-N 2 2 329.452 1.121 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000364694515 153306313 /nfs/dbraw/zinc/30/63/13/153306313.db2.gz JYPKOXRQFSKJIY-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000364694515 153306315 /nfs/dbraw/zinc/30/63/15/153306315.db2.gz JYPKOXRQFSKJIY-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000364724869 153315552 /nfs/dbraw/zinc/31/55/52/153315552.db2.gz QIJQYABZFGTGIA-JCKWVBRZSA-N 2 2 328.416 1.483 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000364824324 153345079 /nfs/dbraw/zinc/34/50/79/153345079.db2.gz SHPBMZAEVYODDN-XYTVBORESA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000364824324 153345082 /nfs/dbraw/zinc/34/50/82/153345082.db2.gz SHPBMZAEVYODDN-XYTVBORESA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000365117729 153429042 /nfs/dbraw/zinc/42/90/42/153429042.db2.gz DZBOYJAYHFHBOT-HUUCEWRRSA-N 2 2 335.452 1.123 20 0 EDADLP Cc1ccncc1CCC[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367316249 154076328 /nfs/dbraw/zinc/07/63/28/154076328.db2.gz CGMSRQVDGXIIAR-LJQANCHMSA-N 2 2 332.492 1.319 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367316249 154076332 /nfs/dbraw/zinc/07/63/32/154076332.db2.gz CGMSRQVDGXIIAR-LJQANCHMSA-N 3 2 332.492 1.319 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc(C)c1O ZINC000367318070 154077186 /nfs/dbraw/zinc/07/71/86/154077186.db2.gz OMYPCPNTLWHVFP-SFHVURJKSA-N 2 2 333.476 1.505 20 0 EDADLP CC(C)C(C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000367405406 154108389 /nfs/dbraw/zinc/10/83/89/154108389.db2.gz OTRILMJXWDQKSZ-INIZCTEOSA-N 2 2 325.497 1.437 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000367648662 154212967 /nfs/dbraw/zinc/21/29/67/154212967.db2.gz KUGTZWLNVSAFLO-OAHLLOKOSA-N 2 2 349.479 1.309 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3ccc(C(=O)OC)[nH]3)CC2)CC1 ZINC000368063494 154393169 /nfs/dbraw/zinc/39/31/69/154393169.db2.gz VUHUKGKWCWADEV-UHFFFAOYSA-N 2 2 348.491 1.793 20 0 EDADLP Cc1csc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369391568 155008544 /nfs/dbraw/zinc/00/85/44/155008544.db2.gz AQNSGPPJTBPVII-CYBMUJFWSA-N 2 2 337.493 1.419 20 0 EDADLP Cc1csc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369391568 155008546 /nfs/dbraw/zinc/00/85/46/155008546.db2.gz AQNSGPPJTBPVII-CYBMUJFWSA-N 2 2 337.493 1.419 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000369421131 155024639 /nfs/dbraw/zinc/02/46/39/155024639.db2.gz NVPIAGWCXDIWEV-HOCLYGCPSA-N 2 2 325.416 1.966 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000369421131 155024642 /nfs/dbraw/zinc/02/46/42/155024642.db2.gz NVPIAGWCXDIWEV-HOCLYGCPSA-N 2 2 325.416 1.966 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCC(=O)c1ccccc1 ZINC000369443693 155036643 /nfs/dbraw/zinc/03/66/43/155036643.db2.gz QNYAZNHUBCVPKQ-HKUYNNGSSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCC(=O)c1ccccc1 ZINC000369443693 155036645 /nfs/dbraw/zinc/03/66/45/155036645.db2.gz QNYAZNHUBCVPKQ-HKUYNNGSSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCC(=O)c1ccccc1 ZINC000369443693 155036647 /nfs/dbraw/zinc/03/66/47/155036647.db2.gz QNYAZNHUBCVPKQ-HKUYNNGSSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCC(=O)c1ccccc1 ZINC000369443693 155036650 /nfs/dbraw/zinc/03/66/50/155036650.db2.gz QNYAZNHUBCVPKQ-HKUYNNGSSA-N 2 2 345.487 1.596 20 0 EDADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369520065 155068277 /nfs/dbraw/zinc/06/82/77/155068277.db2.gz QLTWRVFPNMMJMW-JKSUJKDBSA-N 2 2 347.507 1.467 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)nc12 ZINC000369603681 155105581 /nfs/dbraw/zinc/10/55/81/155105581.db2.gz YYZYHXGVXJTULD-NXHRZFHOSA-N 2 2 338.455 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)nc12 ZINC000369603681 155105585 /nfs/dbraw/zinc/10/55/85/155105585.db2.gz YYZYHXGVXJTULD-NXHRZFHOSA-N 2 2 338.455 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)nc12 ZINC000369603681 155105588 /nfs/dbraw/zinc/10/55/88/155105588.db2.gz YYZYHXGVXJTULD-NXHRZFHOSA-N 2 2 338.455 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)nc12 ZINC000369603681 155105591 /nfs/dbraw/zinc/10/55/91/155105591.db2.gz YYZYHXGVXJTULD-NXHRZFHOSA-N 2 2 338.455 1.919 20 0 EDADLP Cc1cc(N2CCC([N@@H+](C)Cc3nnnn3C(C)C)CC2)nc(C)[nH+]1 ZINC000371884403 156150220 /nfs/dbraw/zinc/15/02/20/156150220.db2.gz QAFPGIDHLPPJSK-UHFFFAOYSA-N 2 2 344.467 1.762 20 0 EDADLP Cc1cc(N2CCC([N@H+](C)Cc3nnnn3C(C)C)CC2)nc(C)[nH+]1 ZINC000371884403 156150226 /nfs/dbraw/zinc/15/02/26/156150226.db2.gz QAFPGIDHLPPJSK-UHFFFAOYSA-N 2 2 344.467 1.762 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C2 ZINC000372402020 156371979 /nfs/dbraw/zinc/37/19/79/156371979.db2.gz UASDHTPBEHLOAF-ILXRZTDVSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C2 ZINC000372402020 156371986 /nfs/dbraw/zinc/37/19/86/156371986.db2.gz UASDHTPBEHLOAF-ILXRZTDVSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)CC2 ZINC000372402020 156371991 /nfs/dbraw/zinc/37/19/91/156371991.db2.gz UASDHTPBEHLOAF-ILXRZTDVSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)CC2 ZINC000372402020 156371993 /nfs/dbraw/zinc/37/19/93/156371993.db2.gz UASDHTPBEHLOAF-ILXRZTDVSA-N 2 2 348.491 1.552 20 0 EDADLP NC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000373892017 157051685 /nfs/dbraw/zinc/05/16/85/157051685.db2.gz KGSRPNSMYMETCW-CQSZACIVSA-N 2 2 341.415 1.418 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374020720 157111229 /nfs/dbraw/zinc/11/12/29/157111229.db2.gz AYRWOBIZQVHWKW-IRXDYDNUSA-N 2 2 326.400 1.270 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374020720 157111230 /nfs/dbraw/zinc/11/12/30/157111230.db2.gz AYRWOBIZQVHWKW-IRXDYDNUSA-N 2 2 326.400 1.270 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000374096824 157141180 /nfs/dbraw/zinc/14/11/80/157141180.db2.gz ZGOVUMZQKLUNIP-KDURUIRLSA-N 2 2 343.471 1.502 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000374096824 157141186 /nfs/dbraw/zinc/14/11/86/157141186.db2.gz ZGOVUMZQKLUNIP-KDURUIRLSA-N 2 2 343.471 1.502 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000374255675 157216494 /nfs/dbraw/zinc/21/64/94/157216494.db2.gz RVVVROUBIQKFLN-AWEZNQCLSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000374255675 157216497 /nfs/dbraw/zinc/21/64/97/157216497.db2.gz RVVVROUBIQKFLN-AWEZNQCLSA-N 2 2 335.448 1.667 20 0 EDADLP C[C@@H]1COCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000374368549 157262529 /nfs/dbraw/zinc/26/25/29/157262529.db2.gz VKRRPELRZOSYNH-INIZCTEOSA-N 2 2 332.448 1.089 20 0 EDADLP C[C@@H]1COCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000374368549 157262530 /nfs/dbraw/zinc/26/25/30/157262530.db2.gz VKRRPELRZOSYNH-INIZCTEOSA-N 2 2 332.448 1.089 20 0 EDADLP COCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000374490988 157306922 /nfs/dbraw/zinc/30/69/22/157306922.db2.gz DKPNWWGFWMPHGF-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP COCC1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000374490988 157306926 /nfs/dbraw/zinc/30/69/26/157306926.db2.gz DKPNWWGFWMPHGF-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C[C@@H]1C ZINC000377966669 158042464 /nfs/dbraw/zinc/04/24/64/158042464.db2.gz VWDFMAKKBJCEIJ-FUHWJXTLSA-N 2 2 346.475 1.225 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C[C@@H]1C ZINC000377966669 158042466 /nfs/dbraw/zinc/04/24/66/158042466.db2.gz VWDFMAKKBJCEIJ-FUHWJXTLSA-N 2 2 346.475 1.225 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1C ZINC000377966669 158042468 /nfs/dbraw/zinc/04/24/68/158042468.db2.gz VWDFMAKKBJCEIJ-FUHWJXTLSA-N 2 2 346.475 1.225 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C[C@@H]1C ZINC000377966669 158042470 /nfs/dbraw/zinc/04/24/70/158042470.db2.gz VWDFMAKKBJCEIJ-FUHWJXTLSA-N 2 2 346.475 1.225 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377972501 158044164 /nfs/dbraw/zinc/04/41/64/158044164.db2.gz WGGWVKCUICNZCL-CQSZACIVSA-N 2 2 341.415 1.084 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)C[N@@H+]1Cc1ccccc1 ZINC000378068067 158070606 /nfs/dbraw/zinc/07/06/06/158070606.db2.gz IUVZKNCIKIHCTK-GOEBONIOSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)C[N@H+]1Cc1ccccc1 ZINC000378068067 158070607 /nfs/dbraw/zinc/07/06/07/158070607.db2.gz IUVZKNCIKIHCTK-GOEBONIOSA-N 2 2 327.432 1.882 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378203120 158107823 /nfs/dbraw/zinc/10/78/23/158107823.db2.gz QNSIFADWPFFMHA-ZDUSSCGKSA-N 2 2 328.416 1.637 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378203120 158107826 /nfs/dbraw/zinc/10/78/26/158107826.db2.gz QNSIFADWPFFMHA-ZDUSSCGKSA-N 2 2 328.416 1.637 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000378201372 158108075 /nfs/dbraw/zinc/10/80/75/158108075.db2.gz ISEMRIPERCNILY-GOSISDBHSA-N 2 2 334.439 1.464 20 0 EDADLP CC[C@]1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000378217376 158113188 /nfs/dbraw/zinc/11/31/88/158113188.db2.gz DLDYHVZATSHPCW-CLCXKQKWSA-N 2 2 346.475 1.701 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000378252644 158121814 /nfs/dbraw/zinc/12/18/14/158121814.db2.gz OMCRAEDIYRRQTB-UHFFFAOYSA-N 2 2 330.436 1.749 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCc3[nH+]c(C)cn3C2)CC1 ZINC000378442661 158175236 /nfs/dbraw/zinc/17/52/36/158175236.db2.gz LCGLHWPZNMRGRD-INIZCTEOSA-N 3 2 334.464 1.514 20 0 EDADLP COC(=O)CCCN1CCC([NH2+][C@H]2CCc3[nH+]c(C)cn3C2)CC1 ZINC000378442661 158175242 /nfs/dbraw/zinc/17/52/42/158175242.db2.gz LCGLHWPZNMRGRD-INIZCTEOSA-N 2 2 334.464 1.514 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H]1CCCc2[nH+]ccn21)[NH+]1CCOCC1 ZINC000352167244 162025578 /nfs/dbraw/zinc/02/55/78/162025578.db2.gz KSLLSZQKNBNLHB-CVEARBPZSA-N 2 2 334.464 1.624 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000352215511 162054737 /nfs/dbraw/zinc/05/47/37/162054737.db2.gz FBMXIVRXJRMLAJ-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000352215511 162054738 /nfs/dbraw/zinc/05/47/38/162054738.db2.gz FBMXIVRXJRMLAJ-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CC[C@H](O)C3)CC2)CC1 ZINC000352252588 162074470 /nfs/dbraw/zinc/07/44/70/162074470.db2.gz FLCVBIGGVZEPJM-YOEHRIQHSA-N 2 2 338.496 1.005 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000352333673 162124300 /nfs/dbraw/zinc/12/43/00/162124300.db2.gz VKVUSDKGCPYVGQ-CQSZACIVSA-N 2 2 333.523 1.612 20 0 EDADLP CO[C@H]1C[C@@H](CO)[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000352363488 162141812 /nfs/dbraw/zinc/14/18/12/162141812.db2.gz RKVOYVPXSWURDH-OALUTQOASA-N 2 2 333.476 1.280 20 0 EDADLP CO[C@H]1C[C@@H](CO)[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000352363488 162141817 /nfs/dbraw/zinc/14/18/17/162141817.db2.gz RKVOYVPXSWURDH-OALUTQOASA-N 2 2 333.476 1.280 20 0 EDADLP C[N@H+](Cc1cncc(Br)c1)C1CC[NH+](CCO)CC1 ZINC000357652176 162286826 /nfs/dbraw/zinc/28/68/26/162286826.db2.gz TVOGPHSUOTUUJL-UHFFFAOYSA-N 2 2 328.254 1.733 20 0 EDADLP C[N@@H+](Cc1cncc(Br)c1)C1CC[NH+](CCO)CC1 ZINC000357652176 162286827 /nfs/dbraw/zinc/28/68/27/162286827.db2.gz TVOGPHSUOTUUJL-UHFFFAOYSA-N 2 2 328.254 1.733 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000078541757 287294240 /nfs/dbraw/zinc/29/42/40/287294240.db2.gz ALLZGFJXLSIHOI-NVXWUHKLSA-N 2 2 329.448 1.744 20 0 EDADLP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000089268961 287320213 /nfs/dbraw/zinc/32/02/13/287320213.db2.gz FEBAJUFVFWOFMI-IRXDYDNUSA-N 2 2 338.540 1.449 20 0 EDADLP C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000089268961 287320216 /nfs/dbraw/zinc/32/02/16/287320216.db2.gz FEBAJUFVFWOFMI-IRXDYDNUSA-N 2 2 338.540 1.449 20 0 EDADLP C[C@H]1C[C@H](C)CN(C(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000089268961 287320218 /nfs/dbraw/zinc/32/02/18/287320218.db2.gz FEBAJUFVFWOFMI-IRXDYDNUSA-N 2 2 338.540 1.449 20 0 EDADLP C[C@H]1C[C@H](C)CN(C(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000089268961 287320220 /nfs/dbraw/zinc/32/02/20/287320220.db2.gz FEBAJUFVFWOFMI-IRXDYDNUSA-N 2 2 338.540 1.449 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000119925851 287357162 /nfs/dbraw/zinc/35/71/62/287357162.db2.gz MPAUDBBWRBPSSU-UHFFFAOYSA-N 2 2 330.436 1.884 20 0 EDADLP C[NH+]1CCC[C@@H](CNc2cc(NC[C@@H]3CCC[N@@H+](C)C3)nc[nH+]2)C1 ZINC000124229695 222396100 /nfs/dbraw/zinc/39/61/00/222396100.db2.gz DHYKVWMQPSTDOD-HOTGVXAUSA-N 3 2 332.496 1.984 20 0 EDADLP C[NH+]1CCC[C@@H](CNc2cc(NC[C@@H]3CCC[N@H+](C)C3)nc[nH+]2)C1 ZINC000124229695 222396103 /nfs/dbraw/zinc/39/61/03/222396103.db2.gz DHYKVWMQPSTDOD-HOTGVXAUSA-N 3 2 332.496 1.984 20 0 EDADLP C[NH+]1CCC[C@@H](CNc2cc(NC[C@@H]3CCC[N@H+](C)C3)[nH+]cn2)C1 ZINC000124229695 222396106 /nfs/dbraw/zinc/39/61/06/222396106.db2.gz DHYKVWMQPSTDOD-HOTGVXAUSA-N 3 2 332.496 1.984 20 0 EDADLP C[NH+]1CCC[C@@H](CNc2cc(NC[C@@H]3CCC[N@@H+](C)C3)[nH+]cn2)C1 ZINC000124229695 222396110 /nfs/dbraw/zinc/39/61/10/222396110.db2.gz DHYKVWMQPSTDOD-HOTGVXAUSA-N 3 2 332.496 1.984 20 0 EDADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@]1([NH3+])CCN(C)C1 ZINC000649290794 451965655 /nfs/dbraw/zinc/96/56/55/451965655.db2.gz SWIBNKDAAYVINK-IBGZPJMESA-N 2 2 348.491 1.056 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000154564271 287646359 /nfs/dbraw/zinc/64/63/59/287646359.db2.gz NDKAHIPPBRKTHW-CQSZACIVSA-N 2 2 330.407 1.963 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC000273505548 268054581 /nfs/dbraw/zinc/05/45/81/268054581.db2.gz ZTIAULKHSLGRFR-SFHVURJKSA-N 2 2 333.476 1.562 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000275187680 268294010 /nfs/dbraw/zinc/29/40/10/268294010.db2.gz CGEBEBLUJPICEN-KRWDZBQOSA-N 2 2 335.423 1.363 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000275187680 268294011 /nfs/dbraw/zinc/29/40/11/268294011.db2.gz CGEBEBLUJPICEN-KRWDZBQOSA-N 2 2 335.423 1.363 20 0 EDADLP O[C@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C[NH+]1CCCC1 ZINC000275430172 268341276 /nfs/dbraw/zinc/34/12/76/268341276.db2.gz CPAQDJSHUOTPAZ-GOSISDBHSA-N 2 2 332.423 1.617 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000275456018 268345364 /nfs/dbraw/zinc/34/53/64/268345364.db2.gz CZYWFCOTAOQVKZ-DLBZAZTESA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000275456018 268345366 /nfs/dbraw/zinc/34/53/66/268345366.db2.gz CZYWFCOTAOQVKZ-DLBZAZTESA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000275456018 268345368 /nfs/dbraw/zinc/34/53/68/268345368.db2.gz CZYWFCOTAOQVKZ-DLBZAZTESA-N 2 2 347.503 1.811 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000275456030 268345446 /nfs/dbraw/zinc/34/54/46/268345446.db2.gz CZYWFCOTAOQVKZ-SJORKVTESA-N 2 2 347.503 1.811 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000275456030 268345448 /nfs/dbraw/zinc/34/54/48/268345448.db2.gz CZYWFCOTAOQVKZ-SJORKVTESA-N 2 2 347.503 1.811 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000275456030 268345450 /nfs/dbraw/zinc/34/54/50/268345450.db2.gz CZYWFCOTAOQVKZ-SJORKVTESA-N 2 2 347.503 1.811 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](CCO)C3CCOCC3)c2cc1C ZINC000275533515 268356180 /nfs/dbraw/zinc/35/61/80/268356180.db2.gz KQHPLROKTCVVSN-KRWDZBQOSA-N 2 2 347.459 1.487 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](CCO)C3CCOCC3)c2cc1C ZINC000275533515 268356182 /nfs/dbraw/zinc/35/61/82/268356182.db2.gz KQHPLROKTCVVSN-KRWDZBQOSA-N 2 2 347.459 1.487 20 0 EDADLP CCOC1CCC([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000657865012 452576871 /nfs/dbraw/zinc/57/68/71/452576871.db2.gz PHGADLJKKKZZPR-OFLPRAFFSA-N 2 2 325.497 1.866 20 0 EDADLP O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000273973980 273063640 /nfs/dbraw/zinc/06/36/40/273063640.db2.gz KCQLAPZDYWCYPJ-MRXNPFEDSA-N 2 2 325.416 1.908 20 0 EDADLP O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000273973980 273063641 /nfs/dbraw/zinc/06/36/41/273063641.db2.gz KCQLAPZDYWCYPJ-MRXNPFEDSA-N 2 2 325.416 1.908 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275521689 273111058 /nfs/dbraw/zinc/11/10/58/273111058.db2.gz BNFFMNTUJGCSID-MRXNPFEDSA-N 2 2 348.495 1.424 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275521689 273111059 /nfs/dbraw/zinc/11/10/59/273111059.db2.gz BNFFMNTUJGCSID-MRXNPFEDSA-N 2 2 348.495 1.424 20 0 EDADLP O[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)C[NH+]1CCCCC1 ZINC000277460838 273200622 /nfs/dbraw/zinc/20/06/22/273200622.db2.gz ODKDFRKXDROWJF-AWEZNQCLSA-N 2 2 337.493 1.289 20 0 EDADLP O[C@@H](CNc1cc(N2CCSCC2)nc[nH+]1)C[NH+]1CCCCC1 ZINC000277460838 273200623 /nfs/dbraw/zinc/20/06/23/273200623.db2.gz ODKDFRKXDROWJF-AWEZNQCLSA-N 2 2 337.493 1.289 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277612833 273211499 /nfs/dbraw/zinc/21/14/99/273211499.db2.gz YBXGRKHCPZCIJN-ZDUSSCGKSA-N 2 2 332.404 1.162 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277612833 273211500 /nfs/dbraw/zinc/21/15/00/273211500.db2.gz YBXGRKHCPZCIJN-ZDUSSCGKSA-N 2 2 332.404 1.162 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000279239315 273287339 /nfs/dbraw/zinc/28/73/39/273287339.db2.gz FUZOHHBXBVGMTO-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000279239315 273287340 /nfs/dbraw/zinc/28/73/40/273287340.db2.gz FUZOHHBXBVGMTO-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000279249691 273288708 /nfs/dbraw/zinc/28/87/08/273288708.db2.gz PDMPGKNTZJNHIQ-CABCVRRESA-N 2 2 338.452 1.244 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000280142872 273345829 /nfs/dbraw/zinc/34/58/29/273345829.db2.gz HFKNYZJCNRAXSH-HZPDHXFCSA-N 2 2 344.459 1.754 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000280142872 273345830 /nfs/dbraw/zinc/34/58/30/273345830.db2.gz HFKNYZJCNRAXSH-HZPDHXFCSA-N 2 2 344.459 1.754 20 0 EDADLP COc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000284259203 274136508 /nfs/dbraw/zinc/13/65/08/274136508.db2.gz IWFFPKQMRZKBTK-FZMZJTMJSA-N 2 2 340.855 1.734 20 0 EDADLP COc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000284259203 274136510 /nfs/dbraw/zinc/13/65/10/274136510.db2.gz IWFFPKQMRZKBTK-FZMZJTMJSA-N 2 2 340.855 1.734 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284267235 274139373 /nfs/dbraw/zinc/13/93/73/274139373.db2.gz HJHKLLAKWVEBRC-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1=Cc2ccccc2OC1 ZINC000284480426 274217442 /nfs/dbraw/zinc/21/74/42/274217442.db2.gz IYFDMENJOQMVEZ-DNVCBOLYSA-N 2 2 338.411 1.805 20 0 EDADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000284713108 274304550 /nfs/dbraw/zinc/30/45/50/274304550.db2.gz VBKHCTFTKNTVCP-FRQCXROJSA-N 2 2 342.443 1.587 20 0 EDADLP COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000284713111 274304646 /nfs/dbraw/zinc/30/46/46/274304646.db2.gz VBKHCTFTKNTVCP-GPMSIDNRSA-N 2 2 342.443 1.587 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000339142464 274316296 /nfs/dbraw/zinc/31/62/96/274316296.db2.gz NSWLPCNGZJKXRO-GASCZTMLSA-N 2 2 328.464 1.953 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000339142464 274316299 /nfs/dbraw/zinc/31/62/99/274316299.db2.gz NSWLPCNGZJKXRO-GASCZTMLSA-N 2 2 328.464 1.953 20 0 EDADLP CNS(=O)(=O)c1cccc2c1CC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000284772668 274325962 /nfs/dbraw/zinc/32/59/62/274325962.db2.gz MUWPIZKYTXLLIW-UHFFFAOYSA-N 2 2 348.472 1.548 20 0 EDADLP CNS(=O)(=O)c1cccc2c1CC[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000284772668 274325963 /nfs/dbraw/zinc/32/59/63/274325963.db2.gz MUWPIZKYTXLLIW-UHFFFAOYSA-N 2 2 348.472 1.548 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000358153932 274356226 /nfs/dbraw/zinc/35/62/26/274356226.db2.gz GSUVTTUCFVDMOH-IDMDMSBLSA-N 2 2 330.476 1.926 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000358153932 274356227 /nfs/dbraw/zinc/35/62/27/274356227.db2.gz GSUVTTUCFVDMOH-IDMDMSBLSA-N 2 2 330.476 1.926 20 0 EDADLP O=C1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]([C@H]2CCCO2)N1 ZINC000353569593 275018113 /nfs/dbraw/zinc/01/81/13/275018113.db2.gz RMLCWLKOLZJGHV-FCEWJHQRSA-N 2 2 344.459 1.466 20 0 EDADLP CCN(C)C(=O)CC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348123445 276065318 /nfs/dbraw/zinc/06/53/18/276065318.db2.gz RUDYKMDEUOEYBG-CABCVRRESA-N 2 2 339.459 1.133 20 0 EDADLP CCN(C)C(=O)CC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348123445 276065320 /nfs/dbraw/zinc/06/53/20/276065320.db2.gz RUDYKMDEUOEYBG-CABCVRRESA-N 2 2 339.459 1.133 20 0 EDADLP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1[NH+](C)C ZINC000350872894 287873169 /nfs/dbraw/zinc/87/31/69/287873169.db2.gz YPXVZLUVHODHIZ-GDBMZVCRSA-N 2 2 333.480 1.041 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340186694 276175329 /nfs/dbraw/zinc/17/53/29/276175329.db2.gz XOWVXUKBYWGXNZ-PBHICJAKSA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340186694 276175330 /nfs/dbraw/zinc/17/53/30/276175330.db2.gz XOWVXUKBYWGXNZ-PBHICJAKSA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CC([NH+](C)C)C3)c2C1 ZINC000342141494 276237983 /nfs/dbraw/zinc/23/79/83/276237983.db2.gz RYQSFBJXVMFWBY-UHFFFAOYSA-N 2 2 338.455 1.999 20 0 EDADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CC([NH+](C)C)C3)c2C1 ZINC000342141494 276237984 /nfs/dbraw/zinc/23/79/84/276237984.db2.gz RYQSFBJXVMFWBY-UHFFFAOYSA-N 2 2 338.455 1.999 20 0 EDADLP CCCC[C@@H](C(=O)OC)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343746078 276239199 /nfs/dbraw/zinc/23/91/99/276239199.db2.gz WQKLUWIHIBOECM-RDJZCZTQSA-N 2 2 325.497 1.819 20 0 EDADLP CCCC[C@@H](C(=O)OC)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343746078 276239202 /nfs/dbraw/zinc/23/92/02/276239202.db2.gz WQKLUWIHIBOECM-RDJZCZTQSA-N 2 2 325.497 1.819 20 0 EDADLP CN(c1ncnc2c1C[NH+](C)CC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377669201 277004917 /nfs/dbraw/zinc/00/49/17/277004917.db2.gz OGABPKWPWHBEHY-INIZCTEOSA-N 3 2 344.507 1.069 20 0 EDADLP CN(c1ncnc2c1C[NH+](C)CC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377669201 277004918 /nfs/dbraw/zinc/00/49/18/277004918.db2.gz OGABPKWPWHBEHY-INIZCTEOSA-N 3 2 344.507 1.069 20 0 EDADLP CN(c1ncnc2c1C[N@H+](C)CC2)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377669201 277004919 /nfs/dbraw/zinc/00/49/19/277004919.db2.gz OGABPKWPWHBEHY-INIZCTEOSA-N 3 2 344.507 1.069 20 0 EDADLP CN(c1ncnc2c1C[N@@H+](C)CC2)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377669201 277004921 /nfs/dbraw/zinc/00/49/21/277004921.db2.gz OGABPKWPWHBEHY-INIZCTEOSA-N 3 2 344.507 1.069 20 0 EDADLP CN(c1ncnc2c1CN(C)CC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377669201 277004922 /nfs/dbraw/zinc/00/49/22/277004922.db2.gz OGABPKWPWHBEHY-INIZCTEOSA-N 2 2 344.507 1.069 20 0 EDADLP CN(c1ncnc2c1CN(C)CC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377669201 277004923 /nfs/dbraw/zinc/00/49/23/277004923.db2.gz OGABPKWPWHBEHY-INIZCTEOSA-N 2 2 344.507 1.069 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3Cc4ccccc4CO3)C2)CC1 ZINC000376706943 277027533 /nfs/dbraw/zinc/02/75/33/277027533.db2.gz OLJWCWVKRHGTIG-QGZVFWFLSA-N 2 2 344.459 1.812 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3Cc4ccccc4CO3)C2)CC1 ZINC000376706943 277027534 /nfs/dbraw/zinc/02/75/34/277027534.db2.gz OLJWCWVKRHGTIG-QGZVFWFLSA-N 2 2 344.459 1.812 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000352043801 277077293 /nfs/dbraw/zinc/07/72/93/277077293.db2.gz GFULASHCLMJZCV-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000352043801 277077294 /nfs/dbraw/zinc/07/72/94/277077294.db2.gz GFULASHCLMJZCV-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2C1 ZINC000370551105 277189635 /nfs/dbraw/zinc/18/96/35/277189635.db2.gz CIEKGASSRKUBKM-HNNXBMFYSA-N 2 2 331.464 1.013 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2C1 ZINC000370551105 277189637 /nfs/dbraw/zinc/18/96/37/277189637.db2.gz CIEKGASSRKUBKM-HNNXBMFYSA-N 2 2 331.464 1.013 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262623694 278155948 /nfs/dbraw/zinc/15/59/48/278155948.db2.gz KLVIYHQLFKGDAH-VKJFTORMSA-N 2 2 348.466 1.580 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[N@@H+]1CCc2sccc2C1 ZINC000342763232 278205276 /nfs/dbraw/zinc/20/52/76/278205276.db2.gz CNRXOUTTYROWGS-YPMHNXCESA-N 2 2 343.443 1.856 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[N@H+]1CCc2sccc2C1 ZINC000342763232 278205278 /nfs/dbraw/zinc/20/52/78/278205278.db2.gz CNRXOUTTYROWGS-YPMHNXCESA-N 2 2 343.443 1.856 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000422805467 278295382 /nfs/dbraw/zinc/29/53/82/278295382.db2.gz GYJVJGHDLWAJOE-OALUTQOASA-N 3 2 346.519 1.555 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1c1nc(N2CC[N@@H+](C)C[C@@H]2C)ncc1Cl ZINC000443445044 288071367 /nfs/dbraw/zinc/07/13/67/288071367.db2.gz IMXPMEKIJXQRDW-OLZOCXBDSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1c1nc(N2CC[N@H+](C)C[C@@H]2C)ncc1Cl ZINC000443445044 288071368 /nfs/dbraw/zinc/07/13/68/288071368.db2.gz IMXPMEKIJXQRDW-OLZOCXBDSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1c1nc(N2CC[NH+](C)C[C@@H]2C)ncc1Cl ZINC000443445044 288071369 /nfs/dbraw/zinc/07/13/69/288071369.db2.gz IMXPMEKIJXQRDW-OLZOCXBDSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1c1nc(N2CC[NH+](C)C[C@@H]2C)ncc1Cl ZINC000443445044 288071371 /nfs/dbraw/zinc/07/13/71/288071371.db2.gz IMXPMEKIJXQRDW-OLZOCXBDSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000344733878 279198551 /nfs/dbraw/zinc/19/85/51/279198551.db2.gz WBTAOHCORFMRAQ-LSDHHAIUSA-N 2 2 325.522 1.757 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000344733878 279198552 /nfs/dbraw/zinc/19/85/52/279198552.db2.gz WBTAOHCORFMRAQ-LSDHHAIUSA-N 2 2 325.522 1.757 20 0 EDADLP NC(=O)c1cccnc1N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000125046079 279608933 /nfs/dbraw/zinc/60/89/33/279608933.db2.gz UZQMCULKAALZFK-UHFFFAOYSA-N 2 2 331.464 1.179 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncnc3c2C[N@H+](C)CC3)C[C@@H](C)O1 ZINC000372501087 288193421 /nfs/dbraw/zinc/19/34/21/288193421.db2.gz GRMBKKAMVZKBSC-OAGGEKHMSA-N 2 2 345.491 1.543 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncnc3c2C[N@@H+](C)CC3)C[C@@H](C)O1 ZINC000372501087 288193422 /nfs/dbraw/zinc/19/34/22/288193422.db2.gz GRMBKKAMVZKBSC-OAGGEKHMSA-N 2 2 345.491 1.543 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1N(CC[NH+](C)C)Cc1ccco1 ZINC000377055422 288526902 /nfs/dbraw/zinc/52/69/02/288526902.db2.gz GZWCPSARIMEEKS-IAGOWNOFSA-N 2 2 336.480 1.353 20 0 EDADLP [NH3+][C@H]1CCc2nc(NC(=O)c3ccnc(-n4cc[nH+]c4)c3)sc2C1 ZINC000289921558 288803997 /nfs/dbraw/zinc/80/39/97/288803997.db2.gz NTYUIRXDLNLGLO-NSHDSACASA-N 2 2 340.412 1.792 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000290018952 288822911 /nfs/dbraw/zinc/82/29/11/288822911.db2.gz CELSDCCJEREFIL-FHWLQOOXSA-N 2 2 345.487 1.810 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000290210152 288858488 /nfs/dbraw/zinc/85/84/88/288858488.db2.gz PVSHVAYBTGOTBF-DOTOQJQBSA-N 2 2 332.448 1.169 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc([C@H](C)O)s2)nc[nH+]1 ZINC000290563117 288917128 /nfs/dbraw/zinc/91/71/28/288917128.db2.gz ZVGZYENQAQEPNK-RYUDHWBXSA-N 2 2 348.476 1.787 20 0 EDADLP COC(=O)c1cc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)n(C)c1C ZINC000291161576 289010341 /nfs/dbraw/zinc/01/03/41/289010341.db2.gz INUSMGHFBQLKIS-UHFFFAOYSA-N 2 2 339.399 1.991 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000265188825 289281303 /nfs/dbraw/zinc/28/13/03/289281303.db2.gz DVCITNKNIIEZOW-AWEZNQCLSA-N 2 2 326.391 1.525 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342470007 290270916 /nfs/dbraw/zinc/27/09/16/290270916.db2.gz IEAGJCLWSRWBCG-QRQLOZEOSA-N 2 2 330.476 1.623 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342470007 290270918 /nfs/dbraw/zinc/27/09/18/290270918.db2.gz IEAGJCLWSRWBCG-QRQLOZEOSA-N 2 2 330.476 1.623 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000361166888 290313377 /nfs/dbraw/zinc/31/33/77/290313377.db2.gz JDTBBVHPVQLVLP-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000361166888 290313381 /nfs/dbraw/zinc/31/33/81/290313381.db2.gz JDTBBVHPVQLVLP-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000182375179 293107492 /nfs/dbraw/zinc/10/74/92/293107492.db2.gz RYHLYJIULNDQEO-CYBMUJFWSA-N 2 2 347.507 1.805 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000418574655 304514573 /nfs/dbraw/zinc/51/45/73/304514573.db2.gz GHCAOCISFUDQLB-DLBZAZTESA-N 2 2 346.475 1.663 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c(C)ccn3C)CC2)CC1 ZINC000422008760 447306732 /nfs/dbraw/zinc/30/67/32/447306732.db2.gz ARZMYURJDFTCNG-UHFFFAOYSA-N 2 2 332.492 1.966 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c(C)ccn3C)CC2)CC1 ZINC000422008760 447306738 /nfs/dbraw/zinc/30/67/38/447306738.db2.gz ARZMYURJDFTCNG-UHFFFAOYSA-N 2 2 332.492 1.966 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)cc1C ZINC000420297981 304745011 /nfs/dbraw/zinc/74/50/11/304745011.db2.gz ZJWKROZJGLORLK-MRXNPFEDSA-N 2 2 339.461 1.889 20 0 EDADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423488166 302184222 /nfs/dbraw/zinc/18/42/22/302184222.db2.gz DMZNFGLLFSIXMD-HKUYNNGSSA-N 2 2 333.476 1.336 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCOC1 ZINC000162813876 302934087 /nfs/dbraw/zinc/93/40/87/302934087.db2.gz IPFDUKWDYMAURN-GDBMZVCRSA-N 2 2 337.489 1.407 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000294052849 303055940 /nfs/dbraw/zinc/05/59/40/303055940.db2.gz LNRMYJOIVPOPSX-UHFFFAOYSA-N 2 2 338.415 1.942 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000294496352 303115959 /nfs/dbraw/zinc/11/59/59/303115959.db2.gz YBVLSUIZLGHQLH-DOTOQJQBSA-N 2 2 341.459 1.782 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CCC[N@H+]1Cc1ccccc1 ZINC000294496352 303115961 /nfs/dbraw/zinc/11/59/61/303115961.db2.gz YBVLSUIZLGHQLH-DOTOQJQBSA-N 2 2 341.459 1.782 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000294815114 303148224 /nfs/dbraw/zinc/14/82/24/303148224.db2.gz CGLXXVNRQKXGNC-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP Cc1cc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc[nH+]1 ZINC000302605604 303727241 /nfs/dbraw/zinc/72/72/41/303727241.db2.gz ZQSVLAVXMNYGLG-UHFFFAOYSA-N 2 2 325.416 1.936 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc(C)[nH+]1 ZINC000422413721 304863848 /nfs/dbraw/zinc/86/38/48/304863848.db2.gz RKERVRNYDJSLHT-INIZCTEOSA-N 2 2 346.475 1.695 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000422958730 304881057 /nfs/dbraw/zinc/88/10/57/304881057.db2.gz YYIRPIINVUPJGT-NEPJUHHUSA-N 2 2 327.375 1.051 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422961547 304881207 /nfs/dbraw/zinc/88/12/07/304881207.db2.gz ZDGXVXJVINPEEY-YJBOKZPZSA-N 2 2 331.460 1.666 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000423112843 304886964 /nfs/dbraw/zinc/88/69/64/304886964.db2.gz YDVSRLUJRRBNAV-BRWVUGGUSA-N 2 2 335.448 1.181 20 0 EDADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000423209343 304889543 /nfs/dbraw/zinc/88/95/43/304889543.db2.gz DYONYWJWIRTZLD-OAHLLOKOSA-N 2 2 347.463 1.311 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CCN1C ZINC000423881668 304913164 /nfs/dbraw/zinc/91/31/64/304913164.db2.gz WNZUUINLQTVGQQ-OAGGEKHMSA-N 2 2 333.480 1.533 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423933245 304918957 /nfs/dbraw/zinc/91/89/57/304918957.db2.gz VDRSLISCXPEGTM-HOTGVXAUSA-N 2 2 344.459 1.804 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCCO[C@@H](C[NH3+])C3)cn2c1 ZINC000424018555 304925600 /nfs/dbraw/zinc/92/56/00/304925600.db2.gz IQDSXBAJBAGBDU-HNNXBMFYSA-N 2 2 348.472 1.452 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424453575 304929903 /nfs/dbraw/zinc/92/99/03/304929903.db2.gz LITIALMBNODBDL-CYBMUJFWSA-N 2 2 348.438 1.031 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCCCOc1ccccc1F ZINC000428027755 305004137 /nfs/dbraw/zinc/00/41/37/305004137.db2.gz BMNBTBKMASFIIF-HOCLYGCPSA-N 2 2 335.423 1.395 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCCCOc1ccccc1F ZINC000428027755 305004138 /nfs/dbraw/zinc/00/41/38/305004138.db2.gz BMNBTBKMASFIIF-HOCLYGCPSA-N 2 2 335.423 1.395 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000428034106 305004775 /nfs/dbraw/zinc/00/47/75/305004775.db2.gz ROGMXPSEQDTMQD-HZPDHXFCSA-N 2 2 347.459 1.046 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000428034106 305004776 /nfs/dbraw/zinc/00/47/76/305004776.db2.gz ROGMXPSEQDTMQD-HZPDHXFCSA-N 2 2 347.459 1.046 20 0 EDADLP COCC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000429268266 305027241 /nfs/dbraw/zinc/02/72/41/305027241.db2.gz ARPFNBCYFWLFQM-UHFFFAOYSA-N 2 2 347.503 1.996 20 0 EDADLP COCC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000429268266 305027242 /nfs/dbraw/zinc/02/72/42/305027242.db2.gz ARPFNBCYFWLFQM-UHFFFAOYSA-N 2 2 347.503 1.996 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000430567652 305056085 /nfs/dbraw/zinc/05/60/85/305056085.db2.gz BHZOLZZMRUOMAN-LPHOPBHVSA-N 2 2 332.492 1.592 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)c(C)c1 ZINC000430575129 305056817 /nfs/dbraw/zinc/05/68/17/305056817.db2.gz JXRJYSDCYPKOSG-LJQANCHMSA-N 2 2 346.475 1.384 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430581732 305056928 /nfs/dbraw/zinc/05/69/28/305056928.db2.gz HZGRNEFMRGTXBY-UHFFFAOYSA-N 2 2 334.464 1.220 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430581732 305056929 /nfs/dbraw/zinc/05/69/29/305056929.db2.gz HZGRNEFMRGTXBY-UHFFFAOYSA-N 2 2 334.464 1.220 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430604824 305058301 /nfs/dbraw/zinc/05/83/01/305058301.db2.gz OJCXSSHCWXNCCL-MRXNPFEDSA-N 2 2 347.459 1.359 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430604824 305058302 /nfs/dbraw/zinc/05/83/02/305058302.db2.gz OJCXSSHCWXNCCL-MRXNPFEDSA-N 2 2 347.459 1.359 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC([NH3+])CC2)c1 ZINC000430670260 305062046 /nfs/dbraw/zinc/06/20/46/305062046.db2.gz VUODLFXUIMGFQK-AWEZNQCLSA-N 2 2 346.475 1.919 20 0 EDADLP COCC[C@]1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[NH2+]C1 ZINC000430726103 305063312 /nfs/dbraw/zinc/06/33/12/305063312.db2.gz VPMIKXAVBKNOED-GOSISDBHSA-N 2 2 328.416 1.505 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000430833641 305065419 /nfs/dbraw/zinc/06/54/19/305065419.db2.gz RODUKACDSHZDCP-SQNIBIBYSA-N 2 2 331.460 1.612 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1F ZINC000430836072 305065637 /nfs/dbraw/zinc/06/56/37/305065637.db2.gz FXQHTCGJQUYSRY-BLLLJJGKSA-N 2 2 332.379 1.143 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000430922676 305068390 /nfs/dbraw/zinc/06/83/90/305068390.db2.gz BXGMJFMWRRGABI-DZGCQCFKSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000430922676 305068391 /nfs/dbraw/zinc/06/83/91/305068391.db2.gz BXGMJFMWRRGABI-DZGCQCFKSA-N 2 2 332.448 1.386 20 0 EDADLP C[NH2+]C1CC[NH+](CC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000430936450 305069180 /nfs/dbraw/zinc/06/91/80/305069180.db2.gz YQQXJWACHJHMBV-UHFFFAOYSA-N 2 2 334.439 1.158 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@H]1[NH3+] ZINC000430938169 305069518 /nfs/dbraw/zinc/06/95/18/305069518.db2.gz ASFKCJWZJUXYPE-UONOGXRCSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@H]1[NH3+] ZINC000430938169 305069519 /nfs/dbraw/zinc/06/95/19/305069519.db2.gz ASFKCJWZJUXYPE-UONOGXRCSA-N 2 2 330.432 1.421 20 0 EDADLP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000430956365 305070691 /nfs/dbraw/zinc/07/06/91/305070691.db2.gz KLCBMEYHJXFPDP-LIRRHRJNSA-N 2 2 347.459 1.552 20 0 EDADLP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000430956365 305070692 /nfs/dbraw/zinc/07/06/92/305070692.db2.gz KLCBMEYHJXFPDP-LIRRHRJNSA-N 2 2 347.459 1.552 20 0 EDADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430961958 305071342 /nfs/dbraw/zinc/07/13/42/305071342.db2.gz GEIOCRJHAUDPFK-OLZOCXBDSA-N 2 2 332.473 1.924 20 0 EDADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430961958 305071343 /nfs/dbraw/zinc/07/13/43/305071343.db2.gz GEIOCRJHAUDPFK-OLZOCXBDSA-N 2 2 332.473 1.924 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430966200 305071444 /nfs/dbraw/zinc/07/14/44/305071444.db2.gz NZTKDGHMCVPATL-LSDHHAIUSA-N 2 2 344.459 1.682 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430966200 305071445 /nfs/dbraw/zinc/07/14/45/305071445.db2.gz NZTKDGHMCVPATL-LSDHHAIUSA-N 2 2 344.459 1.682 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430969257 305071704 /nfs/dbraw/zinc/07/17/04/305071704.db2.gz ZINOLEGJXFCKPM-NFAWXSAZSA-N 2 2 333.432 1.844 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430969257 305071705 /nfs/dbraw/zinc/07/17/05/305071705.db2.gz ZINOLEGJXFCKPM-NFAWXSAZSA-N 2 2 333.432 1.844 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430973252 305071868 /nfs/dbraw/zinc/07/18/68/305071868.db2.gz WGTKHBKIKYIGQK-ZDUSSCGKSA-N 2 2 330.432 1.059 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430973252 305071869 /nfs/dbraw/zinc/07/18/69/305071869.db2.gz WGTKHBKIKYIGQK-ZDUSSCGKSA-N 2 2 330.432 1.059 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000431616442 305080715 /nfs/dbraw/zinc/08/07/15/305080715.db2.gz GKGOBRJINMXELV-GOSISDBHSA-N 2 2 330.476 1.990 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000431616442 305080716 /nfs/dbraw/zinc/08/07/16/305080716.db2.gz GKGOBRJINMXELV-GOSISDBHSA-N 2 2 330.476 1.990 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000433132336 305101477 /nfs/dbraw/zinc/10/14/77/305101477.db2.gz BMWXSIVEBYJFJF-GJZGRUSLSA-N 2 2 339.505 1.811 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000433160425 305102188 /nfs/dbraw/zinc/10/21/88/305102188.db2.gz OIYJTVWYCHCOIU-HNNXBMFYSA-N 2 2 333.480 1.788 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433212796 305103200 /nfs/dbraw/zinc/10/32/00/305103200.db2.gz MKZAHLRJFLHZHD-LZWOXQAQSA-N 2 2 337.468 1.670 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433212796 305103201 /nfs/dbraw/zinc/10/32/01/305103201.db2.gz MKZAHLRJFLHZHD-LZWOXQAQSA-N 2 2 337.468 1.670 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434283119 305119543 /nfs/dbraw/zinc/11/95/43/305119543.db2.gz YUJYEBWYEFFTHO-DLBZAZTESA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434283119 305119544 /nfs/dbraw/zinc/11/95/44/305119544.db2.gz YUJYEBWYEFFTHO-DLBZAZTESA-N 2 2 340.512 1.469 20 0 EDADLP CSC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434494251 305123557 /nfs/dbraw/zinc/12/35/57/305123557.db2.gz OBJNBJUADOJQSG-ZIAGYGMSSA-N 2 2 329.535 1.929 20 0 EDADLP CSC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434494251 305123558 /nfs/dbraw/zinc/12/35/58/305123558.db2.gz OBJNBJUADOJQSG-ZIAGYGMSSA-N 2 2 329.535 1.929 20 0 EDADLP CSC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000434494251 305123559 /nfs/dbraw/zinc/12/35/59/305123559.db2.gz OBJNBJUADOJQSG-ZIAGYGMSSA-N 2 2 329.535 1.929 20 0 EDADLP CSC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000434494251 305123560 /nfs/dbraw/zinc/12/35/60/305123560.db2.gz OBJNBJUADOJQSG-ZIAGYGMSSA-N 2 2 329.535 1.929 20 0 EDADLP CCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434499167 305123727 /nfs/dbraw/zinc/12/37/27/305123727.db2.gz WYKRVWRTSIPRDJ-HUUCEWRRSA-N 2 2 327.494 1.603 20 0 EDADLP CCOC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434499167 305123728 /nfs/dbraw/zinc/12/37/28/305123728.db2.gz WYKRVWRTSIPRDJ-HUUCEWRRSA-N 2 2 327.494 1.603 20 0 EDADLP CCOC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000434499167 305123729 /nfs/dbraw/zinc/12/37/29/305123729.db2.gz WYKRVWRTSIPRDJ-HUUCEWRRSA-N 2 2 327.494 1.603 20 0 EDADLP CCOC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000434499167 305123730 /nfs/dbraw/zinc/12/37/30/305123730.db2.gz WYKRVWRTSIPRDJ-HUUCEWRRSA-N 2 2 327.494 1.603 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000435349406 305138586 /nfs/dbraw/zinc/13/85/86/305138586.db2.gz ISOLIXASAZPRRU-YJBOKZPZSA-N 2 2 349.479 1.206 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000435564403 305142521 /nfs/dbraw/zinc/14/25/21/305142521.db2.gz CHLVNYSVSMLCBJ-CABCVRRESA-N 2 2 332.448 1.553 20 0 EDADLP Cc1n[nH]cc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435566801 305142596 /nfs/dbraw/zinc/14/25/96/305142596.db2.gz BUCGBCZJPBOVCV-AWEZNQCLSA-N 2 2 328.420 1.236 20 0 EDADLP CCCCOCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435567173 305142615 /nfs/dbraw/zinc/14/26/15/305142615.db2.gz CJJLLGHJIACBCM-HNNXBMFYSA-N 2 2 334.464 1.708 20 0 EDADLP COC[C@@H](C)CC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567617 305142618 /nfs/dbraw/zinc/14/26/18/305142618.db2.gz QYTMTSXLXUWAPM-LSDHHAIUSA-N 2 2 334.464 1.563 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1F ZINC000436054639 305151445 /nfs/dbraw/zinc/15/14/45/305151445.db2.gz RYBIJEKYVAIBAV-CYBMUJFWSA-N 2 2 336.411 1.084 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1F ZINC000436054639 305151446 /nfs/dbraw/zinc/15/14/46/305151446.db2.gz RYBIJEKYVAIBAV-CYBMUJFWSA-N 2 2 336.411 1.084 20 0 EDADLP Cc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436059225 305151853 /nfs/dbraw/zinc/15/18/53/305151853.db2.gz KKKGQXNXRXQUQL-HNNXBMFYSA-N 2 2 332.448 1.253 20 0 EDADLP Cc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436059225 305151854 /nfs/dbraw/zinc/15/18/54/305151854.db2.gz KKKGQXNXRXQUQL-HNNXBMFYSA-N 2 2 332.448 1.253 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000438108959 305181331 /nfs/dbraw/zinc/18/13/31/305181331.db2.gz ZIIBQPSFFWQAAV-CJNGLKHVSA-N 2 2 336.480 1.978 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000438108959 305181332 /nfs/dbraw/zinc/18/13/32/305181332.db2.gz ZIIBQPSFFWQAAV-CJNGLKHVSA-N 2 2 336.480 1.978 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000438108959 305181333 /nfs/dbraw/zinc/18/13/33/305181333.db2.gz ZIIBQPSFFWQAAV-CJNGLKHVSA-N 2 2 336.480 1.978 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000438108959 305181334 /nfs/dbraw/zinc/18/13/34/305181334.db2.gz ZIIBQPSFFWQAAV-CJNGLKHVSA-N 2 2 336.480 1.978 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000438850467 305190038 /nfs/dbraw/zinc/19/00/38/305190038.db2.gz HRKYAYZNZIKOAI-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000438850467 305190039 /nfs/dbraw/zinc/19/00/39/305190039.db2.gz HRKYAYZNZIKOAI-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000438850467 305190040 /nfs/dbraw/zinc/19/00/40/305190040.db2.gz HRKYAYZNZIKOAI-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000438850467 305190041 /nfs/dbraw/zinc/19/00/41/305190041.db2.gz HRKYAYZNZIKOAI-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000660701575 453525665 /nfs/dbraw/zinc/52/56/65/453525665.db2.gz ASHYPIOVKJGQHQ-KKUMJFAQSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000660701575 453525673 /nfs/dbraw/zinc/52/56/73/453525673.db2.gz ASHYPIOVKJGQHQ-KKUMJFAQSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000443343466 305238081 /nfs/dbraw/zinc/23/80/81/305238081.db2.gz PBICSZXOZJOVDH-SOLBZPMBSA-N 2 2 349.475 1.405 20 0 EDADLP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000443343466 305238082 /nfs/dbraw/zinc/23/80/82/305238082.db2.gz PBICSZXOZJOVDH-SOLBZPMBSA-N 2 2 349.475 1.405 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)[C@H](C)O1 ZINC000446647926 305268440 /nfs/dbraw/zinc/26/84/40/305268440.db2.gz JISQYGAZWXNTEN-KFWWJZLASA-N 2 2 326.485 1.220 20 0 EDADLP CCc1nnc(C[NH2+]Cc2ccccc2N2CC[NH+](CC)CC2)[nH]1 ZINC000449349645 305312248 /nfs/dbraw/zinc/31/22/48/305312248.db2.gz XJSBSYKSUWRSOD-UHFFFAOYSA-N 2 2 328.464 1.799 20 0 EDADLP COC[C@@H](C)[NH2+]CC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000449557255 305313590 /nfs/dbraw/zinc/31/35/90/305313590.db2.gz VKVUEPYTMBKRSV-GOSISDBHSA-N 2 2 347.503 1.982 20 0 EDADLP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC000450134803 305325775 /nfs/dbraw/zinc/32/57/75/305325775.db2.gz QATPIZRMFOATAU-AWEZNQCLSA-N 2 2 346.431 1.627 20 0 EDADLP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000450134803 305325776 /nfs/dbraw/zinc/32/57/76/305325776.db2.gz QATPIZRMFOATAU-AWEZNQCLSA-N 2 2 346.431 1.627 20 0 EDADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000451548171 305352504 /nfs/dbraw/zinc/35/25/04/305352504.db2.gz RRPSYGFYUKHIMT-IEBWSBKVSA-N 2 2 345.487 1.688 20 0 EDADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000451548171 305352505 /nfs/dbraw/zinc/35/25/05/305352505.db2.gz RRPSYGFYUKHIMT-IEBWSBKVSA-N 2 2 345.487 1.688 20 0 EDADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C ZINC000451558318 305353609 /nfs/dbraw/zinc/35/36/09/305353609.db2.gz FZGAMLUYAFBAAI-WBVHZDCISA-N 2 2 335.448 1.281 20 0 EDADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C ZINC000451558318 305353610 /nfs/dbraw/zinc/35/36/10/305353610.db2.gz FZGAMLUYAFBAAI-WBVHZDCISA-N 2 2 335.448 1.281 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000452395972 305397682 /nfs/dbraw/zinc/39/76/82/305397682.db2.gz XNVZWQJAUSSFOA-MRXNPFEDSA-N 2 2 342.443 1.757 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000452395972 305397683 /nfs/dbraw/zinc/39/76/83/305397683.db2.gz XNVZWQJAUSSFOA-MRXNPFEDSA-N 2 2 342.443 1.757 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000514782626 305705200 /nfs/dbraw/zinc/70/52/00/305705200.db2.gz VYFAXSSXAAAFLL-GJZGRUSLSA-N 2 2 332.448 1.733 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000536600658 306023643 /nfs/dbraw/zinc/02/36/43/306023643.db2.gz ZURGTZNAVHJZNA-ZDUSSCGKSA-N 2 2 332.379 1.918 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(N2CCCC2)nc1 ZINC000537691846 306028836 /nfs/dbraw/zinc/02/88/36/306028836.db2.gz CTHUNWGYWMXKPI-FGTMMUONSA-N 2 2 345.491 1.760 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(N2CCCC2)nc1 ZINC000537691846 306028837 /nfs/dbraw/zinc/02/88/37/306028837.db2.gz CTHUNWGYWMXKPI-FGTMMUONSA-N 2 2 345.491 1.760 20 0 EDADLP O=C(NCC[NH+]1CCCCC1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000540522135 306039896 /nfs/dbraw/zinc/03/98/96/306039896.db2.gz WXDYDMPJFPBLRF-UHFFFAOYSA-N 2 2 332.448 1.130 20 0 EDADLP CN(CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cc[nH+]cc1 ZINC000540926417 306041736 /nfs/dbraw/zinc/04/17/36/306041736.db2.gz AUGDWAKACCXNAM-QGZVFWFLSA-N 2 2 332.448 1.231 20 0 EDADLP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000547763613 306111086 /nfs/dbraw/zinc/11/10/86/306111086.db2.gz HYGYRGADQLEWNH-OAHLLOKOSA-N 2 2 346.475 1.981 20 0 EDADLP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCn3cc[nH+]c3)c2cc1C ZINC000549137338 306144816 /nfs/dbraw/zinc/14/48/16/306144816.db2.gz QSODXFCWIZYUDE-INIZCTEOSA-N 2 2 327.432 1.890 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCn3cc[nH+]c3)c2cc1C ZINC000549137338 306144817 /nfs/dbraw/zinc/14/48/17/306144817.db2.gz QSODXFCWIZYUDE-INIZCTEOSA-N 3 2 327.432 1.890 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000550117149 306150947 /nfs/dbraw/zinc/15/09/47/306150947.db2.gz VBQBKDYBEDWTSC-MRXNPFEDSA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000550117149 306150948 /nfs/dbraw/zinc/15/09/48/306150948.db2.gz VBQBKDYBEDWTSC-MRXNPFEDSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000556685585 306213860 /nfs/dbraw/zinc/21/38/60/306213860.db2.gz IZALSKOMLXYWCP-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000556685585 306213861 /nfs/dbraw/zinc/21/38/61/306213861.db2.gz IZALSKOMLXYWCP-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP COC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000556963953 306221982 /nfs/dbraw/zinc/22/19/82/306221982.db2.gz RYEIDLJVQHAXDM-LLVKDONJSA-N 2 2 340.811 1.233 20 0 EDADLP COC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000556963953 306221983 /nfs/dbraw/zinc/22/19/83/306221983.db2.gz RYEIDLJVQHAXDM-LLVKDONJSA-N 2 2 340.811 1.233 20 0 EDADLP COc1sc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1Br ZINC000414965117 447376275 /nfs/dbraw/zinc/37/62/75/447376275.db2.gz NBODGIKGVHGCMB-SECBINFHSA-N 2 2 334.283 1.512 20 0 EDADLP C[C@@H]1[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC(=O)N1Cc1ccccc1 ZINC000419729955 447378793 /nfs/dbraw/zinc/37/87/93/447378793.db2.gz PEGDTGNNAMNGKR-RHSMWYFYSA-N 2 2 341.459 1.765 20 0 EDADLP CN1CC[NH2+]C[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000449692297 447386042 /nfs/dbraw/zinc/38/60/42/447386042.db2.gz ACBLZXRMTAUNFW-OAHLLOKOSA-N 2 2 326.400 1.507 20 0 EDADLP Cc1nc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc1C ZINC000657071935 453662194 /nfs/dbraw/zinc/66/21/94/453662194.db2.gz WXNZQDPVCRWINV-NSHDSACASA-N 2 2 348.538 1.310 20 0 EDADLP Cc1nc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc1C ZINC000657071935 453662208 /nfs/dbraw/zinc/66/22/08/453662208.db2.gz WXNZQDPVCRWINV-NSHDSACASA-N 2 2 348.538 1.310 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1F ZINC000657072377 453662439 /nfs/dbraw/zinc/66/24/39/453662439.db2.gz WCYPKAUPGGWGBO-ZDUSSCGKSA-N 2 2 331.457 1.376 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1F ZINC000657072377 453662442 /nfs/dbraw/zinc/66/24/42/453662442.db2.gz WCYPKAUPGGWGBO-ZDUSSCGKSA-N 2 2 331.457 1.376 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)[C@H](C)CO1 ZINC000665355427 453663533 /nfs/dbraw/zinc/66/35/33/453663533.db2.gz UHTHCHJIIKHULA-RBSFLKMASA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)[C@H](C)CO1 ZINC000665355427 453663540 /nfs/dbraw/zinc/66/35/40/453663540.db2.gz UHTHCHJIIKHULA-RBSFLKMASA-N 2 2 326.485 1.268 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOC[C@@H]1CC(N)=O ZINC000449768642 447393162 /nfs/dbraw/zinc/39/31/62/447393162.db2.gz GHRAFEQCKDVCKW-KRWDZBQOSA-N 2 2 333.476 1.721 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOC[C@@H]1CC(N)=O ZINC000449768642 447393166 /nfs/dbraw/zinc/39/31/66/447393166.db2.gz GHRAFEQCKDVCKW-KRWDZBQOSA-N 2 2 333.476 1.721 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000449768642 447393167 /nfs/dbraw/zinc/39/31/67/447393167.db2.gz GHRAFEQCKDVCKW-KRWDZBQOSA-N 2 2 333.476 1.721 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000449768642 447393171 /nfs/dbraw/zinc/39/31/71/447393171.db2.gz GHRAFEQCKDVCKW-KRWDZBQOSA-N 2 2 333.476 1.721 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)n1C ZINC000419823368 447434347 /nfs/dbraw/zinc/43/43/47/447434347.db2.gz RVMJNODHLDMSLW-OAHLLOKOSA-N 2 2 331.395 1.520 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000046313939 441100346 /nfs/dbraw/zinc/10/03/46/441100346.db2.gz JZFBNKDMTJZLRI-RDJZCZTQSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[C@@H]1O ZINC000080444448 441171548 /nfs/dbraw/zinc/17/15/48/441171548.db2.gz VNXVKFKNDGMGEN-CVEARBPZSA-N 2 2 337.489 1.238 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[C@@H]1O ZINC000080444448 441171551 /nfs/dbraw/zinc/17/15/51/441171551.db2.gz VNXVKFKNDGMGEN-CVEARBPZSA-N 2 2 337.489 1.238 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000081096661 441232884 /nfs/dbraw/zinc/23/28/84/441232884.db2.gz JVWAHFFWNPRFOS-GDBMZVCRSA-N 2 2 332.448 1.997 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000081096661 441232890 /nfs/dbraw/zinc/23/28/90/441232890.db2.gz JVWAHFFWNPRFOS-GDBMZVCRSA-N 2 2 332.448 1.997 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000081096661 441232893 /nfs/dbraw/zinc/23/28/93/441232893.db2.gz JVWAHFFWNPRFOS-GDBMZVCRSA-N 2 2 332.448 1.997 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000081096661 441232898 /nfs/dbraw/zinc/23/28/98/441232898.db2.gz JVWAHFFWNPRFOS-GDBMZVCRSA-N 2 2 332.448 1.997 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+](C2CC2)CC1 ZINC000105119344 441236168 /nfs/dbraw/zinc/23/61/68/441236168.db2.gz UBLPHOVJRZBXNL-UHFFFAOYSA-N 2 2 339.443 1.921 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000105178868 441240896 /nfs/dbraw/zinc/24/08/96/441240896.db2.gz IRHMQAPNRQCRPT-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000105178868 441240900 /nfs/dbraw/zinc/24/09/00/441240900.db2.gz IRHMQAPNRQCRPT-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cccs1 ZINC000015309029 441199780 /nfs/dbraw/zinc/19/97/80/441199780.db2.gz MPPMXTRYEOSAIQ-UHFFFAOYSA-N 2 2 339.505 1.797 20 0 EDADLP CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cccs1 ZINC000015309029 441199785 /nfs/dbraw/zinc/19/97/85/441199785.db2.gz MPPMXTRYEOSAIQ-UHFFFAOYSA-N 2 2 339.505 1.797 20 0 EDADLP CC[N@H+](CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000105225017 441244025 /nfs/dbraw/zinc/24/40/25/441244025.db2.gz DKMOGPOFIBYOHQ-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP CC[N@@H+](CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000105225017 441244030 /nfs/dbraw/zinc/24/40/30/441244030.db2.gz DKMOGPOFIBYOHQ-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP CC[NH+](CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000105225017 441244034 /nfs/dbraw/zinc/24/40/34/441244034.db2.gz DKMOGPOFIBYOHQ-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP CC[NH+](CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000105225017 441244036 /nfs/dbraw/zinc/24/40/36/441244036.db2.gz DKMOGPOFIBYOHQ-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000072825471 441263795 /nfs/dbraw/zinc/26/37/95/441263795.db2.gz PDGFFSINBJBTFU-LJQANCHMSA-N 2 2 345.487 1.826 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@H+](C)C1CCCCC1)[NH+]1CCOCC1 ZINC000105214824 441243158 /nfs/dbraw/zinc/24/31/58/441243158.db2.gz VLTFZEVERMSLMA-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@@H+](C)C1CCCCC1)[NH+]1CCOCC1 ZINC000105214824 441243159 /nfs/dbraw/zinc/24/31/59/441243159.db2.gz VLTFZEVERMSLMA-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081634843 441297580 /nfs/dbraw/zinc/29/75/80/441297580.db2.gz MQNUFQCWDYHDQR-SFHVURJKSA-N 2 2 345.487 1.975 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081634843 441297586 /nfs/dbraw/zinc/29/75/86/441297586.db2.gz MQNUFQCWDYHDQR-SFHVURJKSA-N 2 2 345.487 1.975 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081634843 441297593 /nfs/dbraw/zinc/29/75/93/441297593.db2.gz MQNUFQCWDYHDQR-SFHVURJKSA-N 2 2 345.487 1.975 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081634843 441297599 /nfs/dbraw/zinc/29/75/99/441297599.db2.gz MQNUFQCWDYHDQR-SFHVURJKSA-N 2 2 345.487 1.975 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081666254 441301243 /nfs/dbraw/zinc/30/12/43/441301243.db2.gz BTPAKJQVAJWBHG-UHFFFAOYSA-N 2 2 334.464 1.672 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3cccnc3)CC2)CC1 ZINC000050799335 441389755 /nfs/dbraw/zinc/38/97/55/441389755.db2.gz BZLVXKRVKVUFPC-SNAWJCMRSA-N 2 2 328.460 1.770 20 0 EDADLP Cc1cc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000073872360 441364446 /nfs/dbraw/zinc/36/44/46/441364446.db2.gz RGLPFNSANNGUCM-UHFFFAOYSA-N 2 2 349.479 1.733 20 0 EDADLP CC1(C)COCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000049981310 441368511 /nfs/dbraw/zinc/36/85/11/441368511.db2.gz AZWIQKKGGMWYJC-UHFFFAOYSA-N 2 2 332.448 1.231 20 0 EDADLP CC1(C)COCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000049981310 441368514 /nfs/dbraw/zinc/36/85/14/441368514.db2.gz AZWIQKKGGMWYJC-UHFFFAOYSA-N 2 2 332.448 1.231 20 0 EDADLP CC[C@@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000378548860 447440317 /nfs/dbraw/zinc/44/03/17/447440317.db2.gz JGSAHYXNUGARQJ-CGTJXYLNSA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000378548860 447440319 /nfs/dbraw/zinc/44/03/19/447440319.db2.gz JGSAHYXNUGARQJ-CGTJXYLNSA-N 2 2 337.508 1.819 20 0 EDADLP CCOCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000084695643 441414270 /nfs/dbraw/zinc/41/42/70/441414270.db2.gz FXVSFPGOUPHRNW-HKUYNNGSSA-N 2 2 347.503 1.982 20 0 EDADLP CCOCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000084695643 441414276 /nfs/dbraw/zinc/41/42/76/441414276.db2.gz FXVSFPGOUPHRNW-HKUYNNGSSA-N 2 2 347.503 1.982 20 0 EDADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000084695643 441414278 /nfs/dbraw/zinc/41/42/78/441414278.db2.gz FXVSFPGOUPHRNW-HKUYNNGSSA-N 2 2 347.503 1.982 20 0 EDADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000084695643 441414282 /nfs/dbraw/zinc/41/42/82/441414282.db2.gz FXVSFPGOUPHRNW-HKUYNNGSSA-N 2 2 347.503 1.982 20 0 EDADLP CC(C)[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccn1 ZINC000052217893 441441311 /nfs/dbraw/zinc/44/13/11/441441311.db2.gz NXNMNRSFCFQCNU-UHFFFAOYSA-N 2 2 348.491 1.519 20 0 EDADLP CC(C)[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccn1 ZINC000052217893 441441317 /nfs/dbraw/zinc/44/13/17/441441317.db2.gz NXNMNRSFCFQCNU-UHFFFAOYSA-N 2 2 348.491 1.519 20 0 EDADLP C[NH+]1CCN(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC000111589248 441538895 /nfs/dbraw/zinc/53/88/95/441538895.db2.gz FZOUGIJNZMWZGW-UHFFFAOYSA-N 2 2 333.823 1.712 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066191457 441511951 /nfs/dbraw/zinc/51/19/51/441511951.db2.gz IYCCAHFJJLQKMP-GOSISDBHSA-N 2 2 328.460 1.882 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000089679949 441570101 /nfs/dbraw/zinc/57/01/01/441570101.db2.gz ZAOQIJMICXXJBI-AHRSYUTCSA-N 2 2 344.503 1.745 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000089679949 441570108 /nfs/dbraw/zinc/57/01/08/441570108.db2.gz ZAOQIJMICXXJBI-AHRSYUTCSA-N 2 2 344.503 1.745 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000076002542 441576804 /nfs/dbraw/zinc/57/68/04/441576804.db2.gz XYAUHCOUHFGTCA-HNNXBMFYSA-N 2 2 339.480 1.062 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000076002542 441576807 /nfs/dbraw/zinc/57/68/07/441576807.db2.gz XYAUHCOUHFGTCA-HNNXBMFYSA-N 2 2 339.480 1.062 20 0 EDADLP C[C@@H](O)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000089928664 441598102 /nfs/dbraw/zinc/59/81/02/441598102.db2.gz PDUZJSLFIPRAMR-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000089928664 441598105 /nfs/dbraw/zinc/59/81/05/441598105.db2.gz PDUZJSLFIPRAMR-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113513371 441612730 /nfs/dbraw/zinc/61/27/30/441612730.db2.gz XBBWNAWGBFMZGI-HUUCEWRRSA-N 2 2 349.475 1.765 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113513371 441612733 /nfs/dbraw/zinc/61/27/33/441612733.db2.gz XBBWNAWGBFMZGI-HUUCEWRRSA-N 2 2 349.475 1.765 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000114453739 441657509 /nfs/dbraw/zinc/65/75/09/441657509.db2.gz ZQGZPYLVPJZCBN-UHFFFAOYSA-N 2 2 345.491 1.193 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)O ZINC000114727807 441679137 /nfs/dbraw/zinc/67/91/37/441679137.db2.gz INGKLMHDLZZGSB-UHFFFAOYSA-N 2 2 335.448 1.160 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)O ZINC000114727807 441679140 /nfs/dbraw/zinc/67/91/40/441679140.db2.gz INGKLMHDLZZGSB-UHFFFAOYSA-N 2 2 335.448 1.160 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114789633 441684271 /nfs/dbraw/zinc/68/42/71/441684271.db2.gz RXEURYJIEFLOSI-MRXNPFEDSA-N 2 2 333.480 1.810 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114789633 441684273 /nfs/dbraw/zinc/68/42/73/441684273.db2.gz RXEURYJIEFLOSI-MRXNPFEDSA-N 2 2 333.480 1.810 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000158616934 441750475 /nfs/dbraw/zinc/75/04/75/441750475.db2.gz PBSBBJKTHOCNPT-INIZCTEOSA-N 2 2 336.436 1.213 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000158616934 441750480 /nfs/dbraw/zinc/75/04/80/441750480.db2.gz PBSBBJKTHOCNPT-INIZCTEOSA-N 2 2 336.436 1.213 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000121685498 441758252 /nfs/dbraw/zinc/75/82/52/441758252.db2.gz YISDPXJSSORLQU-OAHLLOKOSA-N 2 2 346.479 1.335 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C[NH+]2CCC(C)CC2)[nH+]cn1 ZINC000121685498 441758264 /nfs/dbraw/zinc/75/82/64/441758264.db2.gz YISDPXJSSORLQU-OAHLLOKOSA-N 2 2 346.479 1.335 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159343311 441804691 /nfs/dbraw/zinc/80/46/91/441804691.db2.gz NVMXYTRJLKJXMM-ICSRJNTNSA-N 3 2 330.520 1.734 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159343311 441804697 /nfs/dbraw/zinc/80/46/97/441804697.db2.gz NVMXYTRJLKJXMM-ICSRJNTNSA-N 3 2 330.520 1.734 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC1 ZINC000093208724 441865119 /nfs/dbraw/zinc/86/51/19/441865119.db2.gz OGFDRRWJYLDURH-GOSISDBHSA-N 2 2 331.460 1.034 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC1 ZINC000093208724 441865124 /nfs/dbraw/zinc/86/51/24/441865124.db2.gz OGFDRRWJYLDURH-GOSISDBHSA-N 2 2 331.460 1.034 20 0 EDADLP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)s1 ZINC000092748427 441824471 /nfs/dbraw/zinc/82/44/71/441824471.db2.gz FIPBHPHBHHUFJH-JSGCOSHPSA-N 2 2 326.510 1.537 20 0 EDADLP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)s1 ZINC000092748427 441824475 /nfs/dbraw/zinc/82/44/75/441824475.db2.gz FIPBHPHBHHUFJH-JSGCOSHPSA-N 2 2 326.510 1.537 20 0 EDADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000092748413 441825237 /nfs/dbraw/zinc/82/52/37/441825237.db2.gz BJVLEZSGVKZQQZ-BEFAXECRSA-N 2 2 332.492 1.262 20 0 EDADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000092748413 441825242 /nfs/dbraw/zinc/82/52/42/441825242.db2.gz BJVLEZSGVKZQQZ-BEFAXECRSA-N 2 2 332.492 1.262 20 0 EDADLP COCc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000093046731 441853304 /nfs/dbraw/zinc/85/33/04/441853304.db2.gz IAPPLHKJYGCZBQ-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000422280055 447443157 /nfs/dbraw/zinc/44/31/57/447443157.db2.gz UMTFFGFEGDXYQM-UHFFFAOYSA-N 2 2 346.475 1.695 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118841397 441904794 /nfs/dbraw/zinc/90/47/94/441904794.db2.gz XAHSKWYNEDBGJY-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118841397 441904798 /nfs/dbraw/zinc/90/47/98/441904798.db2.gz XAHSKWYNEDBGJY-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118841397 441904800 /nfs/dbraw/zinc/90/48/00/441904800.db2.gz XAHSKWYNEDBGJY-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118841397 441904805 /nfs/dbraw/zinc/90/48/05/441904805.db2.gz XAHSKWYNEDBGJY-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118843145 441907460 /nfs/dbraw/zinc/90/74/60/441907460.db2.gz HETIRVSZBHZNCK-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118843145 441907464 /nfs/dbraw/zinc/90/74/64/441907464.db2.gz HETIRVSZBHZNCK-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118843145 441907466 /nfs/dbraw/zinc/90/74/66/441907466.db2.gz HETIRVSZBHZNCK-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000118843145 441907469 /nfs/dbraw/zinc/90/74/69/441907469.db2.gz HETIRVSZBHZNCK-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000069024802 441880585 /nfs/dbraw/zinc/88/05/85/441880585.db2.gz HODBBLJSNNVAEU-UHFFFAOYSA-N 2 2 329.444 1.605 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000174112482 441888713 /nfs/dbraw/zinc/88/87/13/441888713.db2.gz GJDACIYGGROWKE-SJORKVTESA-N 2 2 338.496 1.225 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000118116485 441891152 /nfs/dbraw/zinc/89/11/52/441891152.db2.gz DBIRCZGELQTHAK-CYBMUJFWSA-N 2 2 344.419 1.052 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000118116485 441891157 /nfs/dbraw/zinc/89/11/57/441891157.db2.gz DBIRCZGELQTHAK-CYBMUJFWSA-N 2 2 344.419 1.052 20 0 EDADLP COCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093665256 441891567 /nfs/dbraw/zinc/89/15/67/441891567.db2.gz BCLUQWJMDXRERR-SFHVURJKSA-N 2 2 334.460 1.866 20 0 EDADLP COCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093665256 441891573 /nfs/dbraw/zinc/89/15/73/441891573.db2.gz BCLUQWJMDXRERR-SFHVURJKSA-N 2 2 334.460 1.866 20 0 EDADLP CN(Cc1ccco1)C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174884073 441977906 /nfs/dbraw/zinc/97/79/06/441977906.db2.gz LDKXWLPEEPFSKB-QGZVFWFLSA-N 2 2 348.491 1.340 20 0 EDADLP CN(Cc1ccco1)C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174884073 441977913 /nfs/dbraw/zinc/97/79/13/441977913.db2.gz LDKXWLPEEPFSKB-QGZVFWFLSA-N 2 2 348.491 1.340 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000151239799 442030323 /nfs/dbraw/zinc/03/03/23/442030323.db2.gz GDASWBISNXJKNJ-QGZVFWFLSA-N 2 2 345.491 1.246 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000151239799 442030334 /nfs/dbraw/zinc/03/03/34/442030334.db2.gz GDASWBISNXJKNJ-QGZVFWFLSA-N 2 2 345.491 1.246 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1c[nH]c2ncccc12 ZINC000120318842 442049613 /nfs/dbraw/zinc/04/96/13/442049613.db2.gz ALHPWBSNTXOOFI-UHFFFAOYSA-N 2 2 343.475 1.590 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1c[nH]c2ncccc12 ZINC000120318842 442049614 /nfs/dbraw/zinc/04/96/14/442049614.db2.gz ALHPWBSNTXOOFI-UHFFFAOYSA-N 2 2 343.475 1.590 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000162013768 442055255 /nfs/dbraw/zinc/05/52/55/442055255.db2.gz OZNVUQJMXRDXBO-AEFFLSMTSA-N 2 2 334.460 1.912 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000151413222 442057726 /nfs/dbraw/zinc/05/77/26/442057726.db2.gz KIHNMEVAXRFJLX-AWEZNQCLSA-N 2 2 326.485 1.127 20 0 EDADLP NC(=O)N1CCC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000163030174 442139945 /nfs/dbraw/zinc/13/99/45/442139945.db2.gz REMQFFGNYDJANC-UHFFFAOYSA-N 2 2 340.537 1.871 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000163451212 442166255 /nfs/dbraw/zinc/16/62/55/442166255.db2.gz YATZMDZKKRCCGI-INIZCTEOSA-N 2 2 335.448 1.585 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000163451212 442166259 /nfs/dbraw/zinc/16/62/59/442166259.db2.gz YATZMDZKKRCCGI-INIZCTEOSA-N 2 2 335.448 1.585 20 0 EDADLP C[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)C[C@@H]1CCC[NH+](C)C1 ZINC000152378037 442204876 /nfs/dbraw/zinc/20/48/76/442204876.db2.gz RBXYVXLTUWDYBB-MRXNPFEDSA-N 2 2 328.460 1.897 20 0 EDADLP C[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)C[C@@H]1CCC[NH+](C)C1 ZINC000152378037 442204879 /nfs/dbraw/zinc/20/48/79/442204879.db2.gz RBXYVXLTUWDYBB-MRXNPFEDSA-N 2 2 328.460 1.897 20 0 EDADLP C[NH+](CC(=O)N1CCC(c2ccccc2)=N1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152378037 442204881 /nfs/dbraw/zinc/20/48/81/442204881.db2.gz RBXYVXLTUWDYBB-MRXNPFEDSA-N 2 2 328.460 1.897 20 0 EDADLP C[NH+](CC(=O)N1CCC(c2ccccc2)=N1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152378037 442204884 /nfs/dbraw/zinc/20/48/84/442204884.db2.gz RBXYVXLTUWDYBB-MRXNPFEDSA-N 2 2 328.460 1.897 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)c1 ZINC000164046667 442189745 /nfs/dbraw/zinc/18/97/45/442189745.db2.gz BPJJGMVGTFJVEK-INIZCTEOSA-N 2 2 335.448 1.069 20 0 EDADLP CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000163256415 442154363 /nfs/dbraw/zinc/15/43/63/442154363.db2.gz AVQZSQBDXYOHJR-JKSUJKDBSA-N 2 2 325.497 1.772 20 0 EDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NCc3c[nH+]cn3C)cc2)CC1 ZINC000152424683 442210709 /nfs/dbraw/zinc/21/07/09/442210709.db2.gz GGKRNTISINYWAL-UHFFFAOYSA-N 2 2 341.459 1.739 20 0 EDADLP CCC[C@H]([NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000165691900 442211146 /nfs/dbraw/zinc/21/11/46/442211146.db2.gz UONFPVUKKSTZPC-NSHDSACASA-N 2 2 325.210 1.840 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)CCCC2)no1 ZINC000166156895 442213929 /nfs/dbraw/zinc/21/39/29/442213929.db2.gz ARSBCPPLEITZMM-KGLIPLIRSA-N 2 2 349.479 1.924 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000167512121 442221705 /nfs/dbraw/zinc/22/17/05/442221705.db2.gz YERAAORILRGLEY-PKOBYXMFSA-N 2 2 345.487 1.878 20 0 EDADLP CC(C)[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000127771914 442224480 /nfs/dbraw/zinc/22/44/80/442224480.db2.gz KCXYVZYKZMPPFQ-OAHLLOKOSA-N 2 2 339.505 1.757 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1COCC[NH2+]1 ZINC000169245019 442226019 /nfs/dbraw/zinc/22/60/19/442226019.db2.gz MFCLFVPGAABPEN-MRXNPFEDSA-N 2 2 332.448 1.135 20 0 EDADLP O=C(CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000152769320 442242954 /nfs/dbraw/zinc/24/29/54/442242954.db2.gz HBYMBRRUIBKZAF-CALCHBBNSA-N 2 2 328.460 1.852 20 0 EDADLP O=C(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000152769320 442242957 /nfs/dbraw/zinc/24/29/57/442242957.db2.gz HBYMBRRUIBKZAF-CALCHBBNSA-N 2 2 328.460 1.852 20 0 EDADLP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000170912340 442287409 /nfs/dbraw/zinc/28/74/09/442287409.db2.gz ZEPLJMKNGSTIKJ-DOTOQJQBSA-N 2 2 344.459 1.615 20 0 EDADLP CNC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000170912340 442287410 /nfs/dbraw/zinc/28/74/10/442287410.db2.gz ZEPLJMKNGSTIKJ-DOTOQJQBSA-N 2 2 344.459 1.615 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177118736 442300193 /nfs/dbraw/zinc/30/01/93/442300193.db2.gz NJVIOWOTGMVUOF-UHFFFAOYSA-N 2 2 343.475 1.487 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154740169 442354326 /nfs/dbraw/zinc/35/43/26/442354326.db2.gz UVNDDYBUAOLTHA-QGZVFWFLSA-N 2 2 325.497 1.583 20 0 EDADLP COCCCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154740169 442354328 /nfs/dbraw/zinc/35/43/28/442354328.db2.gz UVNDDYBUAOLTHA-QGZVFWFLSA-N 2 2 325.497 1.583 20 0 EDADLP COC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000155188660 442380388 /nfs/dbraw/zinc/38/03/88/442380388.db2.gz CRGMGFMQCAHBFJ-IBGZPJMESA-N 2 2 334.460 1.912 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000155386891 442394066 /nfs/dbraw/zinc/39/40/66/442394066.db2.gz AFFGJLMPCBKYMS-SJLPKXTDSA-N 2 2 347.459 1.425 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2OCCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000155386891 442394070 /nfs/dbraw/zinc/39/40/70/442394070.db2.gz AFFGJLMPCBKYMS-SJLPKXTDSA-N 2 2 347.459 1.425 20 0 EDADLP C[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)C[NH+]1CCN(C)CC1 ZINC000177968928 442398376 /nfs/dbraw/zinc/39/83/76/442398376.db2.gz JUKVCVHCWSYNJC-OAHLLOKOSA-N 2 2 344.463 1.017 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000172225460 442425815 /nfs/dbraw/zinc/42/58/15/442425815.db2.gz XGSPFNPDBFIWJF-AWEZNQCLSA-N 2 2 330.432 1.524 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000172225460 442425816 /nfs/dbraw/zinc/42/58/16/442425816.db2.gz XGSPFNPDBFIWJF-AWEZNQCLSA-N 2 2 330.432 1.524 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000178407247 442430820 /nfs/dbraw/zinc/43/08/20/442430820.db2.gz RQCHMFGZDWZHKB-INIZCTEOSA-N 2 2 345.447 1.490 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000178407247 442430822 /nfs/dbraw/zinc/43/08/22/442430822.db2.gz RQCHMFGZDWZHKB-INIZCTEOSA-N 2 2 345.447 1.490 20 0 EDADLP CCOC(=O)CCCCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134160123 442453882 /nfs/dbraw/zinc/45/38/82/442453882.db2.gz YBSKHPSJJZJHOY-UHFFFAOYSA-N 2 2 349.479 1.788 20 0 EDADLP C[C@@H]1CN(CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000191534949 442459969 /nfs/dbraw/zinc/45/99/69/442459969.db2.gz ZXSUAGJCLMDNBZ-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@@H]1CN(CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000191534949 442459971 /nfs/dbraw/zinc/45/99/71/442459971.db2.gz ZXSUAGJCLMDNBZ-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000191534949 442459973 /nfs/dbraw/zinc/45/99/73/442459973.db2.gz ZXSUAGJCLMDNBZ-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000191534949 442459976 /nfs/dbraw/zinc/45/99/76/442459976.db2.gz ZXSUAGJCLMDNBZ-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156401086 442476787 /nfs/dbraw/zinc/47/67/87/442476787.db2.gz QTXHVNRJSWIILX-GOSISDBHSA-N 2 2 341.411 1.860 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156401086 442476792 /nfs/dbraw/zinc/47/67/92/442476792.db2.gz QTXHVNRJSWIILX-GOSISDBHSA-N 2 2 341.411 1.860 20 0 EDADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)C1 ZINC000179009154 442550897 /nfs/dbraw/zinc/55/08/97/442550897.db2.gz AFISYASNLQXVGP-SJLPKXTDSA-N 2 2 330.476 1.043 20 0 EDADLP CC(C)C1CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000178906841 442520885 /nfs/dbraw/zinc/52/08/85/442520885.db2.gz BBJCZUUYTIPREZ-DAWZGUTISA-N 2 2 337.508 1.724 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000157667135 442603061 /nfs/dbraw/zinc/60/30/61/442603061.db2.gz UBBFDZNUDSVVEO-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000192359050 442639144 /nfs/dbraw/zinc/63/91/44/442639144.db2.gz XDEICJKWKQQQKK-YOEHRIQHSA-N 2 2 331.460 1.912 20 0 EDADLP COc1ccc(O)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000186916564 442630105 /nfs/dbraw/zinc/63/01/05/442630105.db2.gz NRTDORODKXKGLP-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP COc1ccc(O)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186916564 442630113 /nfs/dbraw/zinc/63/01/13/442630113.db2.gz NRTDORODKXKGLP-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H]2CCc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000181025310 442675766 /nfs/dbraw/zinc/67/57/66/442675766.db2.gz MRPLHNYGZPRXGX-AEFFLSMTSA-N 2 2 329.444 1.197 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](C)c1ccccc1 ZINC000181043154 442677184 /nfs/dbraw/zinc/67/71/84/442677184.db2.gz LIZKNZOOPLZEIG-ZHALLVOQSA-N 2 2 345.487 1.701 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000181058727 442678237 /nfs/dbraw/zinc/67/82/37/442678237.db2.gz UYYXXRZSMLXVKY-MRXNPFEDSA-N 2 2 328.416 1.845 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000181058727 442678238 /nfs/dbraw/zinc/67/82/38/442678238.db2.gz UYYXXRZSMLXVKY-MRXNPFEDSA-N 2 2 328.416 1.845 20 0 EDADLP C[C@H]1COCCN1CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192713141 442678946 /nfs/dbraw/zinc/67/89/46/442678946.db2.gz UOZPGNUYUKZRFX-KRWDZBQOSA-N 2 2 335.496 1.000 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192713141 442678947 /nfs/dbraw/zinc/67/89/47/442678947.db2.gz UOZPGNUYUKZRFX-KRWDZBQOSA-N 2 2 335.496 1.000 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192713141 442678948 /nfs/dbraw/zinc/67/89/48/442678948.db2.gz UOZPGNUYUKZRFX-KRWDZBQOSA-N 2 2 335.496 1.000 20 0 EDADLP C[C@H]1COCC[N@H+]1CCN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192713141 442678949 /nfs/dbraw/zinc/67/89/49/442678949.db2.gz UOZPGNUYUKZRFX-KRWDZBQOSA-N 2 2 335.496 1.000 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnc(C2CCC2)n1C ZINC000181522389 442702002 /nfs/dbraw/zinc/70/20/02/442702002.db2.gz WLCNWEQXJKDKMG-UHFFFAOYSA-N 2 2 334.512 1.540 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnc(C2CCC2)n1C ZINC000181522389 442702003 /nfs/dbraw/zinc/70/20/03/442702003.db2.gz WLCNWEQXJKDKMG-UHFFFAOYSA-N 2 2 334.512 1.540 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cn3cccc(C)c3[nH+]2)C1(C)C ZINC000188194627 442723000 /nfs/dbraw/zinc/72/30/00/442723000.db2.gz AYPSNPNZFZRILZ-RDTXWAMCSA-N 2 2 330.432 1.791 20 0 EDADLP COCCc1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000182610656 442794570 /nfs/dbraw/zinc/79/45/70/442794570.db2.gz BWKHIRHDJAFMBR-XYPWUTKMSA-N 2 2 349.479 1.001 20 0 EDADLP COCCc1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000182610656 442794572 /nfs/dbraw/zinc/79/45/72/442794572.db2.gz BWKHIRHDJAFMBR-XYPWUTKMSA-N 2 2 349.479 1.001 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193609158 442759270 /nfs/dbraw/zinc/75/92/70/442759270.db2.gz IEBXHDNZFCDPIA-ZACQAIPSSA-N 2 2 331.460 1.372 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193609158 442759273 /nfs/dbraw/zinc/75/92/73/442759273.db2.gz IEBXHDNZFCDPIA-ZACQAIPSSA-N 2 2 331.460 1.372 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193609158 442759275 /nfs/dbraw/zinc/75/92/75/442759275.db2.gz IEBXHDNZFCDPIA-ZACQAIPSSA-N 2 2 331.460 1.372 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193609158 442759276 /nfs/dbraw/zinc/75/92/76/442759276.db2.gz IEBXHDNZFCDPIA-ZACQAIPSSA-N 2 2 331.460 1.372 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCOC(F)F)CC2)CC1 ZINC000194227502 442863493 /nfs/dbraw/zinc/86/34/93/442863493.db2.gz YNSMGBWWANGQCO-UHFFFAOYSA-N 2 2 348.438 1.474 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000189201102 442896510 /nfs/dbraw/zinc/89/65/10/442896510.db2.gz SDRLUEORBLJRSS-FPMFFAJLSA-N 2 2 338.477 1.690 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000189201102 442896514 /nfs/dbraw/zinc/89/65/14/442896514.db2.gz SDRLUEORBLJRSS-FPMFFAJLSA-N 2 2 338.477 1.690 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000183182671 442897093 /nfs/dbraw/zinc/89/70/93/442897093.db2.gz SOXUEYVCVIEFQM-UHFFFAOYSA-N 2 2 336.461 1.492 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000183182671 442897099 /nfs/dbraw/zinc/89/70/99/442897099.db2.gz SOXUEYVCVIEFQM-UHFFFAOYSA-N 2 2 336.461 1.492 20 0 EDADLP CC(C)OC(=O)C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000181833189 318491124 /nfs/dbraw/zinc/49/11/24/318491124.db2.gz KUFYCHJDOIJCMF-KRWDZBQOSA-N 2 2 347.459 1.433 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)CCC[NH+](C)C ZINC000183268943 442914444 /nfs/dbraw/zinc/91/44/44/442914444.db2.gz WXPVHSUPOSJXNV-UHFFFAOYSA-N 2 2 335.452 1.642 20 0 EDADLP COC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000265805253 442927363 /nfs/dbraw/zinc/92/73/63/442927363.db2.gz ORZSSUWDRDCGIU-OAHLLOKOSA-N 2 2 337.489 1.361 20 0 EDADLP COC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000265805253 442927369 /nfs/dbraw/zinc/92/73/69/442927369.db2.gz ORZSSUWDRDCGIU-OAHLLOKOSA-N 2 2 337.489 1.361 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1[NH+](C)C ZINC000268324489 442948033 /nfs/dbraw/zinc/94/80/33/442948033.db2.gz SJFXUNVAAPAYNM-CJNGLKHVSA-N 2 2 341.415 1.219 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1 ZINC000249364728 442968911 /nfs/dbraw/zinc/96/89/11/442968911.db2.gz MGTFHALSGLHSIH-WMZOPIPTSA-N 2 2 347.503 1.983 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1 ZINC000249364728 442968915 /nfs/dbraw/zinc/96/89/15/442968915.db2.gz MGTFHALSGLHSIH-WMZOPIPTSA-N 2 2 347.503 1.983 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1 ZINC000249364728 442968918 /nfs/dbraw/zinc/96/89/18/442968918.db2.gz MGTFHALSGLHSIH-WMZOPIPTSA-N 2 2 347.503 1.983 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1 ZINC000249364728 442968924 /nfs/dbraw/zinc/96/89/24/442968924.db2.gz MGTFHALSGLHSIH-WMZOPIPTSA-N 2 2 347.503 1.983 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000249516565 442981394 /nfs/dbraw/zinc/98/13/94/442981394.db2.gz FJHVUYZKEOPKDN-IAGOWNOFSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000249516565 442981397 /nfs/dbraw/zinc/98/13/97/442981397.db2.gz FJHVUYZKEOPKDN-IAGOWNOFSA-N 2 2 340.512 1.518 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515980 443026930 /nfs/dbraw/zinc/02/69/30/443026930.db2.gz LELOUMDJXDKJTN-OAHLLOKOSA-N 2 2 342.447 1.208 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515980 443026934 /nfs/dbraw/zinc/02/69/34/443026934.db2.gz LELOUMDJXDKJTN-OAHLLOKOSA-N 2 2 342.447 1.208 20 0 EDADLP COCc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1OC ZINC000268869404 443132539 /nfs/dbraw/zinc/13/25/39/443132539.db2.gz FYISGUBXYSFCNZ-YOEHRIQHSA-N 2 2 349.475 1.832 20 0 EDADLP COCc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)ccc1OC ZINC000268869404 443132545 /nfs/dbraw/zinc/13/25/45/443132545.db2.gz FYISGUBXYSFCNZ-YOEHRIQHSA-N 2 2 349.475 1.832 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCc3c(O)cccc32)CC1 ZINC000190583912 443142148 /nfs/dbraw/zinc/14/21/48/443142148.db2.gz MZOSEXVAFIZXQU-GOSISDBHSA-N 2 2 345.487 1.954 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000298223033 318801874 /nfs/dbraw/zinc/80/18/74/318801874.db2.gz AKHMDTQQUXBOKB-CQSZACIVSA-N 2 2 347.463 1.058 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(N2CCOC2=O)c1 ZINC000268923238 443147639 /nfs/dbraw/zinc/14/76/39/443147639.db2.gz PHJVZVUULIAGAN-PBHICJAKSA-N 2 2 332.448 1.540 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(N2CCOC2=O)c1 ZINC000268923238 443147642 /nfs/dbraw/zinc/14/76/42/443147642.db2.gz PHJVZVUULIAGAN-PBHICJAKSA-N 2 2 332.448 1.540 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)OCCCO2 ZINC000268857363 443128450 /nfs/dbraw/zinc/12/84/50/443128450.db2.gz DCTUZOPFZBUNGD-HOCLYGCPSA-N 2 2 347.459 1.838 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)OCCCO2 ZINC000268857363 443128457 /nfs/dbraw/zinc/12/84/57/443128457.db2.gz DCTUZOPFZBUNGD-HOCLYGCPSA-N 2 2 347.459 1.838 20 0 EDADLP COCCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268959931 443160042 /nfs/dbraw/zinc/16/00/42/443160042.db2.gz XBKBPGRBFLKZJP-MAUKXSAKSA-N 2 2 349.475 1.702 20 0 EDADLP COCCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268959931 443160045 /nfs/dbraw/zinc/16/00/45/443160045.db2.gz XBKBPGRBFLKZJP-MAUKXSAKSA-N 2 2 349.475 1.702 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)C3(CO)CCOCC3)c2cc1C ZINC000191012952 443225635 /nfs/dbraw/zinc/22/56/35/443225635.db2.gz PZYYVFXFWNAYSW-MRXNPFEDSA-N 2 2 347.459 1.487 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)C3(CO)CCOCC3)c2cc1C ZINC000191012952 443225639 /nfs/dbraw/zinc/22/56/39/443225639.db2.gz PZYYVFXFWNAYSW-MRXNPFEDSA-N 2 2 347.459 1.487 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245422017 443226122 /nfs/dbraw/zinc/22/61/22/443226122.db2.gz IJIAHYKDNVPQKG-GJZGRUSLSA-N 2 2 327.469 1.108 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245422017 443226124 /nfs/dbraw/zinc/22/61/24/443226124.db2.gz IJIAHYKDNVPQKG-GJZGRUSLSA-N 2 2 327.469 1.108 20 0 EDADLP CCOC(=O)CCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245422017 443226127 /nfs/dbraw/zinc/22/61/27/443226127.db2.gz IJIAHYKDNVPQKG-GJZGRUSLSA-N 2 2 327.469 1.108 20 0 EDADLP CCOC(=O)CCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245422017 443226129 /nfs/dbraw/zinc/22/61/29/443226129.db2.gz IJIAHYKDNVPQKG-GJZGRUSLSA-N 2 2 327.469 1.108 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245550939 443236787 /nfs/dbraw/zinc/23/67/87/443236787.db2.gz OVWSQTYBLZRUGT-PMPSAXMXSA-N 2 2 329.448 1.538 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245550939 443236789 /nfs/dbraw/zinc/23/67/89/443236789.db2.gz OVWSQTYBLZRUGT-PMPSAXMXSA-N 2 2 329.448 1.538 20 0 EDADLP CNC(=O)Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000245583529 443238340 /nfs/dbraw/zinc/23/83/40/443238340.db2.gz JKMVNWDHIPYKOT-GXTWGEPZSA-N 2 2 333.461 1.711 20 0 EDADLP CNC(=O)Cc1nc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000245583529 443238344 /nfs/dbraw/zinc/23/83/44/443238344.db2.gz JKMVNWDHIPYKOT-GXTWGEPZSA-N 2 2 333.461 1.711 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000350051710 319040791 /nfs/dbraw/zinc/04/07/91/319040791.db2.gz YFECVIOFBULRAX-AWEZNQCLSA-N 2 2 325.376 1.236 20 0 EDADLP COc1cc(C[N@H+](C)C2(C[NH3+])CCC2)cc(Cl)c1OCC(N)=O ZINC000395519440 319133220 /nfs/dbraw/zinc/13/32/20/319133220.db2.gz VFPZTYXKIGAODM-UHFFFAOYSA-N 2 2 341.839 1.526 20 0 EDADLP COc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)cc(Cl)c1OCC(N)=O ZINC000395519440 319133223 /nfs/dbraw/zinc/13/32/23/319133223.db2.gz VFPZTYXKIGAODM-UHFFFAOYSA-N 2 2 341.839 1.526 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C[N@@H+]1C1CC1 ZINC000397448960 319134549 /nfs/dbraw/zinc/13/45/49/319134549.db2.gz LBYXKLMUJPFFCR-IJEWVQPXSA-N 2 2 339.480 1.837 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C[N@H+]1C1CC1 ZINC000397448960 319134551 /nfs/dbraw/zinc/13/45/51/319134551.db2.gz LBYXKLMUJPFFCR-IJEWVQPXSA-N 2 2 339.480 1.837 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCCC[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000413032530 319258514 /nfs/dbraw/zinc/25/85/14/319258514.db2.gz KMFQFWXCOWCUBB-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCCC[NH+]3CCCCC3)[nH+]cn2)C1 ZINC000413032530 319258516 /nfs/dbraw/zinc/25/85/16/319258516.db2.gz KMFQFWXCOWCUBB-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000416001709 319389313 /nfs/dbraw/zinc/38/93/13/319389313.db2.gz CVRQUMZWAXAZGW-CYBMUJFWSA-N 2 2 341.337 1.951 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266873570 443274804 /nfs/dbraw/zinc/27/48/04/443274804.db2.gz YMMSNLNGKPWZDZ-UHFFFAOYSA-N 2 2 345.487 1.933 20 0 EDADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000191386708 443288370 /nfs/dbraw/zinc/28/83/70/443288370.db2.gz LCHKZKGZHBVLCM-UHFFFAOYSA-N 2 2 348.491 1.454 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H](C)[C@H](C)[NH+]3CCOCC3)cn2c1 ZINC000264339821 443261279 /nfs/dbraw/zinc/26/12/79/443261279.db2.gz ZHXGEJUILLFVOD-CABCVRRESA-N 2 2 345.447 1.551 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416914796 319473204 /nfs/dbraw/zinc/47/32/04/319473204.db2.gz LUFUJHGHDNLJJO-WMLDXEAASA-N 2 2 327.432 1.858 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000264536694 443317007 /nfs/dbraw/zinc/31/70/07/443317007.db2.gz NAZRKKFEQYKXEH-QGZVFWFLSA-N 2 2 328.416 1.382 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000264536694 443317009 /nfs/dbraw/zinc/31/70/09/443317009.db2.gz NAZRKKFEQYKXEH-QGZVFWFLSA-N 2 2 328.416 1.382 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416942545 319480744 /nfs/dbraw/zinc/48/07/44/319480744.db2.gz BFLVNYOHVOCFBN-OAHLLOKOSA-N 2 2 329.448 1.629 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccnn1C ZINC000278615787 443378484 /nfs/dbraw/zinc/37/84/84/443378484.db2.gz FYPLUIULYFGUTK-INIZCTEOSA-N 3 2 328.464 1.678 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@]3([NH+](C)C)CCSC3)cn21 ZINC000267241863 443390534 /nfs/dbraw/zinc/39/05/34/443390534.db2.gz YGAGPWVDNBVVBE-QGZVFWFLSA-N 2 2 347.488 1.879 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000264609358 443345769 /nfs/dbraw/zinc/34/57/69/443345769.db2.gz HJOFAQDHRVYGEQ-HOTGVXAUSA-N 2 2 330.432 1.169 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000264609358 443345772 /nfs/dbraw/zinc/34/57/72/443345772.db2.gz HJOFAQDHRVYGEQ-HOTGVXAUSA-N 2 2 330.432 1.169 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264609358 443345774 /nfs/dbraw/zinc/34/57/74/443345774.db2.gz HJOFAQDHRVYGEQ-HOTGVXAUSA-N 2 2 330.432 1.169 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264609358 443345778 /nfs/dbraw/zinc/34/57/78/443345778.db2.gz HJOFAQDHRVYGEQ-HOTGVXAUSA-N 2 2 330.432 1.169 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000278548885 443361085 /nfs/dbraw/zinc/36/10/85/443361085.db2.gz GQHCIKCSHKKHBZ-UHFFFAOYSA-N 2 2 345.487 1.750 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264788829 443426124 /nfs/dbraw/zinc/42/61/24/443426124.db2.gz KCZNOHQDMHGPOH-UHFFFAOYSA-N 2 2 330.457 1.710 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000278756650 443427195 /nfs/dbraw/zinc/42/71/95/443427195.db2.gz FRIBQCYOVNSJNV-HNNXBMFYSA-N 2 2 341.459 1.588 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000264729500 443393983 /nfs/dbraw/zinc/39/39/83/443393983.db2.gz PCAGAMVFKIEERJ-HZPDHXFCSA-N 2 2 344.459 1.472 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000264729500 443393985 /nfs/dbraw/zinc/39/39/85/443393985.db2.gz PCAGAMVFKIEERJ-HZPDHXFCSA-N 2 2 344.459 1.472 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(=O)[nH]n1 ZINC000278994623 443484457 /nfs/dbraw/zinc/48/44/57/443484457.db2.gz QPBLJAUEYJIPTP-HUUCEWRRSA-N 2 2 342.443 1.841 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(=O)[nH]n1 ZINC000278994623 443484460 /nfs/dbraw/zinc/48/44/60/443484460.db2.gz QPBLJAUEYJIPTP-HUUCEWRRSA-N 2 2 342.443 1.841 20 0 EDADLP C[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000264851393 443453120 /nfs/dbraw/zinc/45/31/20/443453120.db2.gz LQERJPIUHCZXQL-SFHVURJKSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000264851393 443453123 /nfs/dbraw/zinc/45/31/23/443453123.db2.gz LQERJPIUHCZXQL-SFHVURJKSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000422952666 319740816 /nfs/dbraw/zinc/74/08/16/319740816.db2.gz BVVIUCHLJFXEAU-HZPDHXFCSA-N 2 2 337.851 1.426 20 0 EDADLP C[C@H](C[NH2+]CCN1C(=O)c2ccccc2C1=O)[NH+]1CCC(C)CC1 ZINC000278882484 443471604 /nfs/dbraw/zinc/47/16/04/443471604.db2.gz OGNWBSMUOCGQJP-OAHLLOKOSA-N 2 2 329.444 1.993 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1c[nH+]ccc1N ZINC000423124452 319751184 /nfs/dbraw/zinc/75/11/84/319751184.db2.gz MIYZQFCTWZQGHS-KGLIPLIRSA-N 2 2 346.456 1.608 20 0 EDADLP C[C@@H](C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000272120446 443532781 /nfs/dbraw/zinc/53/27/81/443532781.db2.gz SYHXIMXFJXPNHC-MAUKXSAKSA-N 2 2 349.450 1.452 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]2CCOCC2)s1 ZINC000423750900 319810771 /nfs/dbraw/zinc/81/07/71/319810771.db2.gz DSLWBDWVEMWWFH-NWDGAFQWSA-N 2 2 347.431 1.529 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272206272 443556984 /nfs/dbraw/zinc/55/69/84/443556984.db2.gz BKMFLVQHSLBHJF-HNNXBMFYSA-N 2 2 327.432 1.975 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272206272 443556988 /nfs/dbraw/zinc/55/69/88/443556988.db2.gz BKMFLVQHSLBHJF-HNNXBMFYSA-N 2 2 327.432 1.975 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CCc3[nH]cc[nH+]3)c2)CCO1 ZINC000279259291 443542804 /nfs/dbraw/zinc/54/28/04/443542804.db2.gz SZDZTZLNCQJERI-HNNXBMFYSA-N 2 2 342.443 1.879 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CCc3[nH]cc[nH+]3)c2)CCO1 ZINC000279259291 443542807 /nfs/dbraw/zinc/54/28/07/443542807.db2.gz SZDZTZLNCQJERI-HNNXBMFYSA-N 2 2 342.443 1.879 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CCO[C@@H](C[NH+](C)C)C3)cn2c1 ZINC000265379588 443622825 /nfs/dbraw/zinc/62/28/25/443622825.db2.gz ZSYJYZQHVADRTL-HNNXBMFYSA-N 2 2 331.420 1.115 20 0 EDADLP O=C(COc1ccccc1C[NH2+]CCCn1cc[nH+]c1)NCC1CC1 ZINC000265336926 443609622 /nfs/dbraw/zinc/60/96/22/443609622.db2.gz HQLBWXJHOCYRQV-UHFFFAOYSA-N 2 2 342.443 1.968 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000283511559 443650629 /nfs/dbraw/zinc/65/06/29/443650629.db2.gz OCTNJFSEQZRGJV-INIZCTEOSA-N 2 2 348.491 1.476 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000283511559 443650632 /nfs/dbraw/zinc/65/06/32/443650632.db2.gz OCTNJFSEQZRGJV-INIZCTEOSA-N 2 2 348.491 1.476 20 0 EDADLP CCn1nccc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279921914 443642111 /nfs/dbraw/zinc/64/21/11/443642111.db2.gz MSXGNUNCJHCDBA-HOCLYGCPSA-N 2 2 334.443 1.681 20 0 EDADLP CCn1nccc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279921914 443642114 /nfs/dbraw/zinc/64/21/14/443642114.db2.gz MSXGNUNCJHCDBA-HOCLYGCPSA-N 2 2 334.443 1.681 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000439351791 320045666 /nfs/dbraw/zinc/04/56/66/320045666.db2.gz FFGZTJWGONDUJJ-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000439351791 320045669 /nfs/dbraw/zinc/04/56/69/320045669.db2.gz FFGZTJWGONDUJJ-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000439351791 320045671 /nfs/dbraw/zinc/04/56/71/320045671.db2.gz FFGZTJWGONDUJJ-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000439351791 320045673 /nfs/dbraw/zinc/04/56/73/320045673.db2.gz FFGZTJWGONDUJJ-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000449004032 320173096 /nfs/dbraw/zinc/17/30/96/320173096.db2.gz VFUVLNJGKSKEJG-MAUKXSAKSA-N 2 2 336.501 1.859 20 0 EDADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449396826 320188187 /nfs/dbraw/zinc/18/81/87/320188187.db2.gz SYBIEXVNXGFWTF-IAGOWNOFSA-N 2 2 325.497 1.604 20 0 EDADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449396826 320188188 /nfs/dbraw/zinc/18/81/88/320188188.db2.gz SYBIEXVNXGFWTF-IAGOWNOFSA-N 2 2 325.497 1.604 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000449394374 320188615 /nfs/dbraw/zinc/18/86/15/320188615.db2.gz NWOHIEVYNNJCJR-WBVHZDCISA-N 2 2 349.475 1.849 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000449394374 320188618 /nfs/dbraw/zinc/18/86/18/320188618.db2.gz NWOHIEVYNNJCJR-WBVHZDCISA-N 2 2 349.475 1.849 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000449468482 320191660 /nfs/dbraw/zinc/19/16/60/320191660.db2.gz DQIDNIPPKQIFTE-UHFFFAOYSA-N 2 2 348.472 1.688 20 0 EDADLP C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000492858171 320388765 /nfs/dbraw/zinc/38/87/65/320388765.db2.gz FEMZITQGRTUOAH-PTZVLDCSSA-N 2 2 339.443 1.750 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)CCCCO)CC2)cc1 ZINC000276386225 443695092 /nfs/dbraw/zinc/69/50/92/443695092.db2.gz MGSVBFWDJFUBKQ-UHFFFAOYSA-N 2 2 349.475 1.044 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CCCCO)CC2)cc1 ZINC000276386225 443695096 /nfs/dbraw/zinc/69/50/96/443695096.db2.gz MGSVBFWDJFUBKQ-UHFFFAOYSA-N 2 2 349.475 1.044 20 0 EDADLP CC[NH+]1CCC(NC(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)CC1 ZINC000276456262 443712197 /nfs/dbraw/zinc/71/21/97/443712197.db2.gz MVPHKKWSDVXPEB-INIZCTEOSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)CC1 ZINC000276456262 443712202 /nfs/dbraw/zinc/71/22/02/443712202.db2.gz MVPHKKWSDVXPEB-INIZCTEOSA-N 2 2 346.479 1.177 20 0 EDADLP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000298228560 443725958 /nfs/dbraw/zinc/72/59/58/443725958.db2.gz BDGGIOHYOULRPJ-HXUWFJFHSA-N 3 2 329.488 1.622 20 0 EDADLP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000298228560 443725960 /nfs/dbraw/zinc/72/59/60/443725960.db2.gz BDGGIOHYOULRPJ-HXUWFJFHSA-N 3 2 329.488 1.622 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000298240961 443727913 /nfs/dbraw/zinc/72/79/13/443727913.db2.gz CJXIKBRCDNTMOK-HNNXBMFYSA-N 2 2 331.395 1.998 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000298240961 443727918 /nfs/dbraw/zinc/72/79/18/443727918.db2.gz CJXIKBRCDNTMOK-HNNXBMFYSA-N 2 2 331.395 1.998 20 0 EDADLP O=S1(=O)CC[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000280506960 443733524 /nfs/dbraw/zinc/73/35/24/443733524.db2.gz RDYFFANFMYAYPL-KURKYZTESA-N 2 2 334.485 1.485 20 0 EDADLP O=S1(=O)CC[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000280506960 443733530 /nfs/dbraw/zinc/73/35/30/443733530.db2.gz RDYFFANFMYAYPL-KURKYZTESA-N 2 2 334.485 1.485 20 0 EDADLP O=S1(=O)CC[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000280506960 443733533 /nfs/dbraw/zinc/73/35/33/443733533.db2.gz RDYFFANFMYAYPL-KURKYZTESA-N 2 2 334.485 1.485 20 0 EDADLP O=S1(=O)CC[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000280506960 443733536 /nfs/dbraw/zinc/73/35/36/443733536.db2.gz RDYFFANFMYAYPL-KURKYZTESA-N 2 2 334.485 1.485 20 0 EDADLP C[C@H](O)CNc1cc(NCC[N@@H+]2CCc3ccccc3C2)nc[nH+]1 ZINC000298326432 443747118 /nfs/dbraw/zinc/74/71/18/443747118.db2.gz RRRLIHNBRXDPAF-AWEZNQCLSA-N 2 2 327.432 1.740 20 0 EDADLP C[C@H](O)CNc1cc(NCC[N@H+]2CCc3ccccc3C2)nc[nH+]1 ZINC000298326432 443747121 /nfs/dbraw/zinc/74/71/21/443747121.db2.gz RRRLIHNBRXDPAF-AWEZNQCLSA-N 2 2 327.432 1.740 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000298548437 443796873 /nfs/dbraw/zinc/79/68/73/443796873.db2.gz CBCNYBKVNIZSGU-GJZGRUSLSA-N 2 2 347.463 1.406 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000298548437 443796876 /nfs/dbraw/zinc/79/68/76/443796876.db2.gz CBCNYBKVNIZSGU-GJZGRUSLSA-N 2 2 347.463 1.406 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CCO1 ZINC000276571993 443750834 /nfs/dbraw/zinc/75/08/34/443750834.db2.gz HGOXWWFUGRQBBY-UHFFFAOYSA-N 2 2 331.460 1.215 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CCO1 ZINC000276571993 443750836 /nfs/dbraw/zinc/75/08/36/443750836.db2.gz HGOXWWFUGRQBBY-UHFFFAOYSA-N 2 2 331.460 1.215 20 0 EDADLP O=C1NCCCC[C@H]1[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000298452995 443772416 /nfs/dbraw/zinc/77/24/16/443772416.db2.gz HOQJPTJJLNTZDY-JKSUJKDBSA-N 2 2 344.459 1.804 20 0 EDADLP O=C1NCCCC[C@H]1[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000298452995 443772419 /nfs/dbraw/zinc/77/24/19/443772419.db2.gz HOQJPTJJLNTZDY-JKSUJKDBSA-N 2 2 344.459 1.804 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000529353269 320576535 /nfs/dbraw/zinc/57/65/35/320576535.db2.gz GOWKHFBZPATNBF-UONOGXRCSA-N 2 2 332.452 1.083 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276958333 443878575 /nfs/dbraw/zinc/87/85/75/443878575.db2.gz LPCOKJBSIXSWNX-GOSISDBHSA-N 2 2 331.460 1.905 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276958333 443878579 /nfs/dbraw/zinc/87/85/79/443878579.db2.gz LPCOKJBSIXSWNX-GOSISDBHSA-N 2 2 331.460 1.905 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000537287746 320734400 /nfs/dbraw/zinc/73/44/00/320734400.db2.gz MNRVBXCMJPKDIA-IRXDYDNUSA-N 2 2 346.475 1.516 20 0 EDADLP CO[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000299060266 443942148 /nfs/dbraw/zinc/94/21/48/443942148.db2.gz IQDDUGQFWAJLBK-SFHVURJKSA-N 2 2 333.476 1.859 20 0 EDADLP CO[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000299060266 443942150 /nfs/dbraw/zinc/94/21/50/443942150.db2.gz IQDDUGQFWAJLBK-SFHVURJKSA-N 2 2 333.476 1.859 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)[nH+]c2c1 ZINC000277073974 443903918 /nfs/dbraw/zinc/90/39/18/443903918.db2.gz RDUQWPSIPIATMW-OAHLLOKOSA-N 2 2 338.415 1.694 20 0 EDADLP Cn1ccc(/C=C/C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000277081784 443905874 /nfs/dbraw/zinc/90/58/74/443905874.db2.gz OPDRUQPMQSIFPL-ONEGZZNKSA-N 2 2 330.476 1.713 20 0 EDADLP OCc1cn([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nn1 ZINC000293038523 443909465 /nfs/dbraw/zinc/90/94/65/443909465.db2.gz SCFWXQYLDPTZTB-SFHVURJKSA-N 2 2 338.415 1.793 20 0 EDADLP OCc1cn([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nn1 ZINC000293038523 443909469 /nfs/dbraw/zinc/90/94/69/443909469.db2.gz SCFWXQYLDPTZTB-SFHVURJKSA-N 2 2 338.415 1.793 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CC[NH+](C)CC2)[NH+]2CCOCC2)cc1 ZINC000299031439 443933409 /nfs/dbraw/zinc/93/34/09/443933409.db2.gz ZNVDARDMRUWHRV-GOSISDBHSA-N 2 2 346.475 1.325 20 0 EDADLP COc1nnccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000288851712 443998344 /nfs/dbraw/zinc/99/83/44/443998344.db2.gz IQRJQOSHCSUDQS-UHFFFAOYSA-N 2 2 348.451 1.165 20 0 EDADLP C[C@H](O)c1ncc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)s1 ZINC000289217847 444078976 /nfs/dbraw/zinc/07/89/76/444078976.db2.gz JBZZRZLKLSVERN-LBPRGKRZSA-N 2 2 333.461 1.955 20 0 EDADLP CCC[NH+]1CCC(Nc2nc(NCC)[nH+]c(NC(C)(C)C)n2)CC1 ZINC000561105184 321032776 /nfs/dbraw/zinc/03/27/76/321032776.db2.gz LJBCQYYJKWKIOD-UHFFFAOYSA-N 2 2 335.500 1.644 20 0 EDADLP CCC[NH+]1CCC(Nc2nc(NC(C)(C)C)nc(NCC)[nH+]2)CC1 ZINC000561105184 321032778 /nfs/dbraw/zinc/03/27/78/321032778.db2.gz LJBCQYYJKWKIOD-UHFFFAOYSA-N 2 2 335.500 1.644 20 0 EDADLP CCC[NH+]1CCC(Nc2nc(NCC)nc(NC(C)(C)C)[nH+]2)CC1 ZINC000561105184 321032780 /nfs/dbraw/zinc/03/27/80/321032780.db2.gz LJBCQYYJKWKIOD-UHFFFAOYSA-N 2 2 335.500 1.644 20 0 EDADLP C[C@@]1(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC[NH2+]C1 ZINC000561145488 321034910 /nfs/dbraw/zinc/03/49/10/321034910.db2.gz LQXOURGCCCJILN-GOSISDBHSA-N 2 2 347.463 1.107 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H](O)CCc2ccccc2)C[C@@H](C)O1 ZINC000563137872 321098052 /nfs/dbraw/zinc/09/80/52/321098052.db2.gz JZUFUOBCRWLWQI-PSBWJHGTSA-N 2 2 336.476 1.040 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000563139089 321098337 /nfs/dbraw/zinc/09/83/37/321098337.db2.gz VJCBLBSEDRTKLQ-WOJBJXKFSA-N 3 2 347.503 1.188 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000563139089 321098338 /nfs/dbraw/zinc/09/83/38/321098338.db2.gz VJCBLBSEDRTKLQ-WOJBJXKFSA-N 3 2 347.503 1.188 20 0 EDADLP C[NH+](C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139089 321098339 /nfs/dbraw/zinc/09/83/39/321098339.db2.gz VJCBLBSEDRTKLQ-WOJBJXKFSA-N 3 2 347.503 1.188 20 0 EDADLP C[NH+](C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139089 321098340 /nfs/dbraw/zinc/09/83/40/321098340.db2.gz VJCBLBSEDRTKLQ-WOJBJXKFSA-N 3 2 347.503 1.188 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000563422474 321110664 /nfs/dbraw/zinc/11/06/64/321110664.db2.gz DOLIIETUIKTXJL-QZTJIDSGSA-N 3 2 333.476 1.757 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000564150280 321121809 /nfs/dbraw/zinc/12/18/09/321121809.db2.gz OEUWFWULIZADBQ-HIFRSBDPSA-N 2 2 326.404 1.219 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000564150280 321121811 /nfs/dbraw/zinc/12/18/11/321121811.db2.gz OEUWFWULIZADBQ-HIFRSBDPSA-N 2 2 326.404 1.219 20 0 EDADLP [NH3+]C1CCC(OCC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000564890993 321155181 /nfs/dbraw/zinc/15/51/81/321155181.db2.gz LMXYBXQCIMABHT-UHFFFAOYSA-N 2 2 332.448 1.012 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)C1CC1 ZINC000289284532 444096768 /nfs/dbraw/zinc/09/67/68/444096768.db2.gz AILFFKQBCDMRFO-INIZCTEOSA-N 2 2 347.459 1.498 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)C1CC1 ZINC000289284532 444096771 /nfs/dbraw/zinc/09/67/71/444096771.db2.gz AILFFKQBCDMRFO-INIZCTEOSA-N 2 2 347.459 1.498 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000567890010 321266057 /nfs/dbraw/zinc/26/60/57/321266057.db2.gz VHUCKWCQGNMAND-SCVCMEIPSA-N 2 2 329.242 1.657 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568659773 321301075 /nfs/dbraw/zinc/30/10/75/321301075.db2.gz JQGYXDLKTMRTFW-UONOGXRCSA-N 2 2 330.436 1.587 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568659773 321301077 /nfs/dbraw/zinc/30/10/77/321301077.db2.gz JQGYXDLKTMRTFW-UONOGXRCSA-N 2 2 330.436 1.587 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000568744684 321304403 /nfs/dbraw/zinc/30/44/03/321304403.db2.gz BKBXVOHRVMOTAG-CYBMUJFWSA-N 2 2 326.466 1.677 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCCN(c3ccccc3)C2)C[C@@H](C)O1 ZINC000568990368 321313597 /nfs/dbraw/zinc/31/35/97/321313597.db2.gz BPGKGUNDTUZFPG-FTEYMNFISA-N 2 2 347.503 1.715 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998560 321314119 /nfs/dbraw/zinc/31/41/19/321314119.db2.gz XPDDWZBOEXTPKH-CQSZACIVSA-N 2 2 325.419 1.648 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998560 321314120 /nfs/dbraw/zinc/31/41/20/321314120.db2.gz XPDDWZBOEXTPKH-CQSZACIVSA-N 2 2 325.419 1.648 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998560 321314121 /nfs/dbraw/zinc/31/41/21/321314121.db2.gz XPDDWZBOEXTPKH-CQSZACIVSA-N 2 2 325.419 1.648 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998560 321314122 /nfs/dbraw/zinc/31/41/22/321314122.db2.gz XPDDWZBOEXTPKH-CQSZACIVSA-N 2 2 325.419 1.648 20 0 EDADLP C[NH+]1CCC(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000569997746 321333981 /nfs/dbraw/zinc/33/39/81/321333981.db2.gz FJRWDHHIBICVME-UHFFFAOYSA-N 2 2 328.420 1.790 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000570877051 321361173 /nfs/dbraw/zinc/36/11/73/321361173.db2.gz FHVCNDLMTQYUEA-OWCLPIDISA-N 2 2 331.464 1.997 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000570877051 321361174 /nfs/dbraw/zinc/36/11/74/321361174.db2.gz FHVCNDLMTQYUEA-OWCLPIDISA-N 2 2 331.464 1.997 20 0 EDADLP CC(=O)N1CC([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000571105783 321372169 /nfs/dbraw/zinc/37/21/69/321372169.db2.gz PIJBLKKAFMWPGW-UHFFFAOYSA-N 2 2 336.867 1.412 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]CCOc1cccc(C(F)(F)F)n1)C1CC1 ZINC000571198790 321375861 /nfs/dbraw/zinc/37/58/61/321375861.db2.gz ZGAICMFKKKPECF-LBPRGKRZSA-N 2 2 333.354 1.524 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOc1cccc(C(F)(F)F)n1)C1CC1 ZINC000571198790 321375862 /nfs/dbraw/zinc/37/58/62/321375862.db2.gz ZGAICMFKKKPECF-LBPRGKRZSA-N 2 2 333.354 1.524 20 0 EDADLP [NH3+][C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1c(F)cccc1F ZINC000571441175 321387128 /nfs/dbraw/zinc/38/71/28/321387128.db2.gz GXHIUOUBOITOAZ-KBMXLJTQSA-N 2 2 339.386 1.319 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000289322777 444107764 /nfs/dbraw/zinc/10/77/64/444107764.db2.gz KEBGYXKTNWQVLY-INIZCTEOSA-N 2 2 340.427 1.900 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000289322777 444107769 /nfs/dbraw/zinc/10/77/69/444107769.db2.gz KEBGYXKTNWQVLY-INIZCTEOSA-N 2 2 340.427 1.900 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000285802876 444112877 /nfs/dbraw/zinc/11/28/77/444112877.db2.gz QNFYEWYBBHLCCF-SFHVURJKSA-N 2 2 326.444 1.738 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000285802876 444112879 /nfs/dbraw/zinc/11/28/79/444112879.db2.gz QNFYEWYBBHLCCF-SFHVURJKSA-N 2 2 326.444 1.738 20 0 EDADLP CN1CC[C@H]([NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000285805694 444113814 /nfs/dbraw/zinc/11/38/14/444113814.db2.gz GAFLILQZZGUJTR-OALUTQOASA-N 2 2 342.487 1.109 20 0 EDADLP CN1CC[C@H]([NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000285805694 444113815 /nfs/dbraw/zinc/11/38/15/444113815.db2.gz GAFLILQZZGUJTR-OALUTQOASA-N 2 2 342.487 1.109 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000572136664 321417561 /nfs/dbraw/zinc/41/75/61/321417561.db2.gz AXEKFNZXZBFMCV-IAGOWNOFSA-N 2 2 326.400 1.944 20 0 EDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(F)cn1 ZINC000285854836 444130501 /nfs/dbraw/zinc/13/05/01/444130501.db2.gz ZHZISYMQPIXAQB-WWTUQBGBSA-N 2 2 334.439 1.955 20 0 EDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(F)cn1 ZINC000285854836 444130504 /nfs/dbraw/zinc/13/05/04/444130504.db2.gz ZHZISYMQPIXAQB-WWTUQBGBSA-N 2 2 334.439 1.955 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000289403441 444131946 /nfs/dbraw/zinc/13/19/46/444131946.db2.gz SGJYRAMDLLCQBX-HNNXBMFYSA-N 2 2 332.448 1.613 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000289403441 444131949 /nfs/dbraw/zinc/13/19/49/444131949.db2.gz SGJYRAMDLLCQBX-HNNXBMFYSA-N 2 2 332.448 1.613 20 0 EDADLP C[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C[NH+]1CCOCC1 ZINC000301364747 444166681 /nfs/dbraw/zinc/16/66/81/444166681.db2.gz NLCYOEGAMFTEJQ-JKSUJKDBSA-N 2 2 349.479 1.066 20 0 EDADLP C[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C[NH+]1CCOCC1 ZINC000301364747 444166684 /nfs/dbraw/zinc/16/66/84/444166684.db2.gz NLCYOEGAMFTEJQ-JKSUJKDBSA-N 2 2 349.479 1.066 20 0 EDADLP CCC[N@@H+]1CCCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000301393778 444168608 /nfs/dbraw/zinc/16/86/08/444168608.db2.gz JSVTYPRXNMRLGL-MRXNPFEDSA-N 2 2 333.480 1.607 20 0 EDADLP CCC[N@H+]1CCCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000301393778 444168611 /nfs/dbraw/zinc/16/86/11/444168611.db2.gz JSVTYPRXNMRLGL-MRXNPFEDSA-N 2 2 333.480 1.607 20 0 EDADLP CC(C)[C@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)[NH+]1CCC(C)CC1 ZINC000285830759 444122687 /nfs/dbraw/zinc/12/26/87/444122687.db2.gz GKNJVQKQJRRQEI-HOTGVXAUSA-N 2 2 347.463 1.629 20 0 EDADLP CC(C)[C@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)[NH+]1CCC(C)CC1 ZINC000285830759 444122691 /nfs/dbraw/zinc/12/26/91/444122691.db2.gz GKNJVQKQJRRQEI-HOTGVXAUSA-N 2 2 347.463 1.629 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000285837270 444123883 /nfs/dbraw/zinc/12/38/83/444123883.db2.gz VXMMTHXDIHZSHQ-MJGOQNOKSA-N 2 2 344.503 1.008 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000285837270 444123886 /nfs/dbraw/zinc/12/38/86/444123886.db2.gz VXMMTHXDIHZSHQ-MJGOQNOKSA-N 2 2 344.503 1.008 20 0 EDADLP CC1=CC[N@H+](CCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000302170780 444207308 /nfs/dbraw/zinc/20/73/08/444207308.db2.gz UHWIOLFEVQAULW-MRXNPFEDSA-N 2 2 331.464 1.749 20 0 EDADLP CC1=CC[N@@H+](CCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000302170780 444207311 /nfs/dbraw/zinc/20/73/11/444207311.db2.gz UHWIOLFEVQAULW-MRXNPFEDSA-N 2 2 331.464 1.749 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000296273734 444216734 /nfs/dbraw/zinc/21/67/34/444216734.db2.gz HWXGIQUVFGCAOA-OKILXGFUSA-N 2 2 342.447 1.810 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000296273734 444216735 /nfs/dbraw/zinc/21/67/35/444216735.db2.gz HWXGIQUVFGCAOA-OKILXGFUSA-N 2 2 342.447 1.810 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC([NH+]4CCCC4)CC3)nc[nH+]2)C1 ZINC000301541628 444178172 /nfs/dbraw/zinc/17/81/72/444178172.db2.gz SFUVXXWLXIHYHJ-INIZCTEOSA-N 2 2 345.491 1.750 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC([NH+]4CCCC4)CC3)[nH+]cn2)C1 ZINC000301541628 444178174 /nfs/dbraw/zinc/17/81/74/444178174.db2.gz SFUVXXWLXIHYHJ-INIZCTEOSA-N 2 2 345.491 1.750 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000301532488 444178451 /nfs/dbraw/zinc/17/84/51/444178451.db2.gz IBCMSPVFXPOYFT-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000301532488 444178452 /nfs/dbraw/zinc/17/84/52/444178452.db2.gz IBCMSPVFXPOYFT-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP CN(C)c1cc[nH+]c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000301730065 444187635 /nfs/dbraw/zinc/18/76/35/444187635.db2.gz OMSZHENNFOXPHK-MRXNPFEDSA-N 2 2 327.432 1.374 20 0 EDADLP CN(C)c1cc[nH+]c(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000301730065 444187637 /nfs/dbraw/zinc/18/76/37/444187637.db2.gz OMSZHENNFOXPHK-MRXNPFEDSA-N 2 2 327.432 1.374 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000289675304 444189480 /nfs/dbraw/zinc/18/94/80/444189480.db2.gz ZCELFVKLKYVXBJ-MRXNPFEDSA-N 2 2 339.443 1.493 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289682361 444190019 /nfs/dbraw/zinc/19/00/19/444190019.db2.gz JQZSSQLHMHXVEP-MLGOLLRUSA-N 2 2 334.445 1.586 20 0 EDADLP CCc1nnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1CC ZINC000302743999 444222477 /nfs/dbraw/zinc/22/24/77/444222477.db2.gz RMJFWYIFNGMDEL-UHFFFAOYSA-N 2 2 332.496 1.967 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNc2cc[nH+]cc2C(N)=O)nc[nH+]1 ZINC000302020971 444200875 /nfs/dbraw/zinc/20/08/75/444200875.db2.gz HZRORFHPJICUIR-LLVKDONJSA-N 2 2 327.392 1.093 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNc2cc[nH+]cc2C(N)=O)[nH+]cn1 ZINC000302020971 444200876 /nfs/dbraw/zinc/20/08/76/444200876.db2.gz HZRORFHPJICUIR-LLVKDONJSA-N 2 2 327.392 1.093 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cn(C(C)C)nn2)nc[nH+]1 ZINC000289774918 444201747 /nfs/dbraw/zinc/20/17/47/444201747.db2.gz PQGKYJJAXJNUMC-AWEZNQCLSA-N 2 2 330.440 1.449 20 0 EDADLP CCc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)nc(C)[nH+]1 ZINC000302069794 444203196 /nfs/dbraw/zinc/20/31/96/444203196.db2.gz XRUVQMUYGYTNTF-UHFFFAOYSA-N 2 2 326.466 1.268 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000290210158 444254805 /nfs/dbraw/zinc/25/48/05/444254805.db2.gz PVSHVAYBTGOTBF-WBVHZDCISA-N 2 2 332.448 1.169 20 0 EDADLP C[NH+](C)C[C@H](O)CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305167245 444262252 /nfs/dbraw/zinc/26/22/52/444262252.db2.gz YSXIKIQADLRBDZ-MRXNPFEDSA-N 2 2 325.884 1.817 20 0 EDADLP C[NH+](C)C[C@@H](O)CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000305167242 444262296 /nfs/dbraw/zinc/26/22/96/444262296.db2.gz YSXIKIQADLRBDZ-INIZCTEOSA-N 2 2 325.884 1.817 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[N@@H+](C3CC3)CC2)nc[nH+]1 ZINC000302917192 444231909 /nfs/dbraw/zinc/23/19/09/444231909.db2.gz WSCYCHZHQGEDDN-INIZCTEOSA-N 2 2 331.464 1.502 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303032696 444232298 /nfs/dbraw/zinc/23/22/98/444232298.db2.gz XRNDDDIJHOYINR-MHORFTMASA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303032696 444232300 /nfs/dbraw/zinc/23/23/00/444232300.db2.gz XRNDDDIJHOYINR-MHORFTMASA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303032696 444232301 /nfs/dbraw/zinc/23/23/01/444232301.db2.gz XRNDDDIJHOYINR-MHORFTMASA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303032696 444232303 /nfs/dbraw/zinc/23/23/03/444232303.db2.gz XRNDDDIJHOYINR-MHORFTMASA-N 2 2 337.508 1.817 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000577216774 321633582 /nfs/dbraw/zinc/63/35/82/321633582.db2.gz XPGMLGIWKKAHNJ-YKXHTNLXSA-N 2 2 348.487 1.966 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)C1 ZINC000304129139 444242923 /nfs/dbraw/zinc/24/29/23/444242923.db2.gz AROCVIQDNUKDOS-CRAIPNDOSA-N 2 2 339.430 1.710 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)C1 ZINC000304129139 444242925 /nfs/dbraw/zinc/24/29/25/444242925.db2.gz AROCVIQDNUKDOS-CRAIPNDOSA-N 2 2 339.430 1.710 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000290108282 444243264 /nfs/dbraw/zinc/24/32/64/444243264.db2.gz YFIAHPHOFAPTOA-HOTGVXAUSA-N 2 2 345.491 1.945 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH2+]Cc3c[nH+]cn3C)C2=O)c(OC)c1 ZINC000290113801 444244246 /nfs/dbraw/zinc/24/42/46/444244246.db2.gz LJYIGXWQTVMQHG-MRXNPFEDSA-N 2 2 344.415 1.328 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000304301493 444245868 /nfs/dbraw/zinc/24/58/68/444245868.db2.gz LPEBXEMHGNTCKY-MSOLQXFVSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000304301493 444245870 /nfs/dbraw/zinc/24/58/70/444245870.db2.gz LPEBXEMHGNTCKY-MSOLQXFVSA-N 2 2 334.460 1.389 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000297695087 444319598 /nfs/dbraw/zinc/31/95/98/444319598.db2.gz XVILPWPNKSFHMT-GASCZTMLSA-N 2 2 345.447 1.585 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2ccc3c[nH+]cn3c2)C[C@H](C)O1 ZINC000297695087 444319601 /nfs/dbraw/zinc/31/96/01/444319601.db2.gz XVILPWPNKSFHMT-GASCZTMLSA-N 2 2 345.447 1.585 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000290768068 444320774 /nfs/dbraw/zinc/32/07/74/444320774.db2.gz PKYMKZVFFCRPCV-OAHLLOKOSA-N 2 2 329.448 1.138 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000290768068 444320777 /nfs/dbraw/zinc/32/07/77/444320777.db2.gz PKYMKZVFFCRPCV-OAHLLOKOSA-N 2 2 329.448 1.138 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305786934 444280948 /nfs/dbraw/zinc/28/09/48/444280948.db2.gz YKGAMSLEICSEIW-CWRNSKLLSA-N 2 2 332.510 1.167 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H](C)O1 ZINC000578195802 321736538 /nfs/dbraw/zinc/73/65/38/321736538.db2.gz MUQXGYULISDRFK-CBZIJGRNSA-N 2 2 346.475 1.546 20 0 EDADLP COc1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc(OC)c1OC ZINC000324910126 444359411 /nfs/dbraw/zinc/35/94/11/444359411.db2.gz JJSZOHMSLUAWQW-UHFFFAOYSA-N 2 2 334.420 1.802 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328664134 444420367 /nfs/dbraw/zinc/42/03/67/444420367.db2.gz BQHYBUIJLNAYQB-HZPDHXFCSA-N 2 2 332.448 1.016 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000328886080 444388447 /nfs/dbraw/zinc/38/84/47/444388447.db2.gz ZOLCDRLQQFXTDM-NCOADZHNSA-N 2 2 348.491 1.870 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000340482164 444400070 /nfs/dbraw/zinc/40/00/70/444400070.db2.gz WOMGWNKQSVMBPK-KFWWJZLASA-N 2 2 345.447 1.206 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000340482164 444400072 /nfs/dbraw/zinc/40/00/72/444400072.db2.gz WOMGWNKQSVMBPK-KFWWJZLASA-N 2 2 345.447 1.206 20 0 EDADLP CC1(C)C[NH+](CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000579128294 321889466 /nfs/dbraw/zinc/88/94/66/321889466.db2.gz CJAVWTXCORXRFA-UHFFFAOYSA-N 2 2 345.487 1.472 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000329149946 444484882 /nfs/dbraw/zinc/48/48/82/444484882.db2.gz RCBIMNFDKWTFDV-OAHLLOKOSA-N 2 2 334.464 1.920 20 0 EDADLP CCCCN(CCCC)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340711059 444485649 /nfs/dbraw/zinc/48/56/49/444485649.db2.gz KDZORZYOKBWZKG-UHFFFAOYSA-N 2 2 335.496 1.971 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000340716535 444486690 /nfs/dbraw/zinc/48/66/90/444486690.db2.gz WEKUJPZZRSXQNR-UHFFFAOYSA-N 2 2 349.385 1.137 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1CCOCCN1CC[N@@H+](C)C[C@@H]1CC ZINC000580066414 322004619 /nfs/dbraw/zinc/00/46/19/322004619.db2.gz HFFKLBHWIQZRAZ-ROUUACIJSA-N 2 2 326.529 1.055 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1CCOCCN1CC[N@H+](C)C[C@@H]1CC ZINC000580066414 322004620 /nfs/dbraw/zinc/00/46/20/322004620.db2.gz HFFKLBHWIQZRAZ-ROUUACIJSA-N 2 2 326.529 1.055 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000580157689 322015089 /nfs/dbraw/zinc/01/50/89/322015089.db2.gz MXSJQGMEQSMLDK-MRXNPFEDSA-N 2 2 327.432 1.826 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000580157689 322015090 /nfs/dbraw/zinc/01/50/90/322015090.db2.gz MXSJQGMEQSMLDK-MRXNPFEDSA-N 2 2 327.432 1.826 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000580228577 322026069 /nfs/dbraw/zinc/02/60/69/322026069.db2.gz GKRAJXQPQJSUJI-IUODEOHRSA-N 2 2 328.420 1.630 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2ccc3[nH]ccc3c2)C[C@@H](C)O1 ZINC000580305833 322033734 /nfs/dbraw/zinc/03/37/34/322033734.db2.gz WUTIADCHDISGNJ-IIDMSEBBSA-N 2 2 331.460 1.770 20 0 EDADLP CC(C)n1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)nn1 ZINC000580356923 322041565 /nfs/dbraw/zinc/04/15/65/322041565.db2.gz RKGOHWCOAAVMLZ-LJQANCHMSA-N 2 2 342.491 1.937 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)ccn12 ZINC000580463234 322055116 /nfs/dbraw/zinc/05/51/16/322055116.db2.gz IZOMNBBKGQQMTA-IXDOHACOSA-N 2 2 342.443 1.966 20 0 EDADLP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000580612101 322073284 /nfs/dbraw/zinc/07/32/84/322073284.db2.gz DWFMZYSSRRFYHM-QGZVFWFLSA-N 2 2 331.460 1.666 20 0 EDADLP COc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2ccccc2n1 ZINC000580704051 322084455 /nfs/dbraw/zinc/08/44/55/322084455.db2.gz CIEFVIPUIFKJER-CQSZACIVSA-N 2 2 343.431 1.028 20 0 EDADLP CN(C)c1nc(N2CC[NH+](CCCc3c[nH+]cn3C)CC2)cc[nH+]1 ZINC000580722387 322087811 /nfs/dbraw/zinc/08/78/11/322087811.db2.gz KKTAVXGGMHTPQH-UHFFFAOYSA-N 3 2 329.452 1.031 20 0 EDADLP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000580827834 322100450 /nfs/dbraw/zinc/10/04/50/322100450.db2.gz SZDZSHMNSZFJRC-BZSNNMDCSA-N 2 2 335.492 1.524 20 0 EDADLP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000580827835 322100488 /nfs/dbraw/zinc/10/04/88/322100488.db2.gz SZDZSHMNSZFJRC-KSZLIROESA-N 2 2 335.492 1.524 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000580890368 322108859 /nfs/dbraw/zinc/10/88/59/322108859.db2.gz JTEODWAFWXBBJR-GDBMZVCRSA-N 2 2 348.491 1.947 20 0 EDADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581108503 322135432 /nfs/dbraw/zinc/13/54/32/322135432.db2.gz NSQADVLTXHQMLP-OAHLLOKOSA-N 2 2 331.464 1.927 20 0 EDADLP CC[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000581414094 322174188 /nfs/dbraw/zinc/17/41/88/322174188.db2.gz HZPYGRFNPBYLLM-DLBZAZTESA-N 2 2 330.432 1.840 20 0 EDADLP CC[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000581414094 322174190 /nfs/dbraw/zinc/17/41/90/322174190.db2.gz HZPYGRFNPBYLLM-DLBZAZTESA-N 2 2 330.432 1.840 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000581940876 322235690 /nfs/dbraw/zinc/23/56/90/322235690.db2.gz FDNAQVFJQWVVMD-RDJZCZTQSA-N 2 2 347.459 1.012 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H]3CCC[N@H+]3C[C@@H]1C)CCC2 ZINC000332700857 444529120 /nfs/dbraw/zinc/52/91/20/444529120.db2.gz BHRUGQZZPBIWSB-HRCADAONSA-N 2 2 331.464 1.947 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H]3CCC[N@@H+]3C[C@@H]1C)CCC2 ZINC000332700857 444529125 /nfs/dbraw/zinc/52/91/25/444529125.db2.gz BHRUGQZZPBIWSB-HRCADAONSA-N 2 2 331.464 1.947 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@@H+]1C ZINC000340921368 444577895 /nfs/dbraw/zinc/57/78/95/444577895.db2.gz KUGKUBZEMRRVGD-GDBMZVCRSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@H+]1C ZINC000340921368 444577898 /nfs/dbraw/zinc/57/78/98/444577898.db2.gz KUGKUBZEMRRVGD-GDBMZVCRSA-N 2 2 331.464 1.964 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCC(F)(F)F)C1 ZINC000338258118 444591940 /nfs/dbraw/zinc/59/19/40/444591940.db2.gz VZFMHHDJMARWLH-ZDUSSCGKSA-N 2 2 339.402 1.344 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCC(F)(F)F)C1 ZINC000338258118 444591942 /nfs/dbraw/zinc/59/19/42/444591942.db2.gz VZFMHHDJMARWLH-ZDUSSCGKSA-N 2 2 339.402 1.344 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CCC(F)(F)F)C1 ZINC000338258118 444591945 /nfs/dbraw/zinc/59/19/45/444591945.db2.gz VZFMHHDJMARWLH-ZDUSSCGKSA-N 2 2 339.402 1.344 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCC(F)(F)F)C1 ZINC000338258118 444591948 /nfs/dbraw/zinc/59/19/48/444591948.db2.gz VZFMHHDJMARWLH-ZDUSSCGKSA-N 2 2 339.402 1.344 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000343807058 444603986 /nfs/dbraw/zinc/60/39/86/444603986.db2.gz LXVDREOJOAXEJJ-OAHLLOKOSA-N 2 2 336.505 1.028 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000343807058 444603990 /nfs/dbraw/zinc/60/39/90/444603990.db2.gz LXVDREOJOAXEJJ-OAHLLOKOSA-N 2 2 336.505 1.028 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343917152 444667921 /nfs/dbraw/zinc/66/79/21/444667921.db2.gz CNLYXQVYMYMFAO-SJLPKXTDSA-N 2 2 336.524 1.393 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343917152 444667926 /nfs/dbraw/zinc/66/79/26/444667926.db2.gz CNLYXQVYMYMFAO-SJLPKXTDSA-N 2 2 336.524 1.393 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000329579783 444635744 /nfs/dbraw/zinc/63/57/44/444635744.db2.gz WRNNWAPGBRXHMK-HOTGVXAUSA-N 2 2 332.448 1.237 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000329579783 444635748 /nfs/dbraw/zinc/63/57/48/444635748.db2.gz WRNNWAPGBRXHMK-HOTGVXAUSA-N 2 2 332.448 1.237 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333916445 444717052 /nfs/dbraw/zinc/71/70/52/444717052.db2.gz NGOXZTGXPWUGAN-IYBDPMFKSA-N 2 2 329.448 1.433 20 0 EDADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000333918121 444717700 /nfs/dbraw/zinc/71/77/00/444717700.db2.gz ODHZFDRZYDDWHL-GVDBMIGSSA-N 2 2 343.475 1.297 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000342505208 444721375 /nfs/dbraw/zinc/72/13/75/444721375.db2.gz SGGDLSWYOLBPSN-HZPDHXFCSA-N 2 2 333.480 1.404 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000342505208 444721378 /nfs/dbraw/zinc/72/13/78/444721378.db2.gz SGGDLSWYOLBPSN-HZPDHXFCSA-N 2 2 333.480 1.404 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)c[nH+]1 ZINC000333936758 444723614 /nfs/dbraw/zinc/72/36/14/444723614.db2.gz KVBNNERRUBFQFT-UHFFFAOYSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000333727113 444693285 /nfs/dbraw/zinc/69/32/85/444693285.db2.gz VNORIJRAMMZSHX-ULQDDVLXSA-N 2 2 345.491 1.858 20 0 EDADLP Cc1csc(NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)n1 ZINC000344025542 444736076 /nfs/dbraw/zinc/73/60/76/444736076.db2.gz IWWCXKNEPSQKQK-UHFFFAOYSA-N 2 2 327.498 1.205 20 0 EDADLP Cc1csc(NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)n1 ZINC000344025542 444736080 /nfs/dbraw/zinc/73/60/80/444736080.db2.gz IWWCXKNEPSQKQK-UHFFFAOYSA-N 2 2 327.498 1.205 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2COc3ccccc3O2)CC1 ZINC000342548453 444740617 /nfs/dbraw/zinc/74/06/17/444740617.db2.gz ULMCHYARNUMCMC-INIZCTEOSA-N 2 2 348.443 1.834 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000342551756 444741451 /nfs/dbraw/zinc/74/14/51/444741451.db2.gz YSCMHQAPPOSUPW-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000342551756 444741456 /nfs/dbraw/zinc/74/14/56/444741456.db2.gz YSCMHQAPPOSUPW-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000342551756 444741461 /nfs/dbraw/zinc/74/14/61/444741461.db2.gz YSCMHQAPPOSUPW-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000342551756 444741466 /nfs/dbraw/zinc/74/14/66/444741466.db2.gz YSCMHQAPPOSUPW-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP OCC[NH+]1CCC(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000341280252 444760087 /nfs/dbraw/zinc/76/00/87/444760087.db2.gz UHZXGROHFCPEQQ-UHFFFAOYSA-N 3 2 332.492 1.340 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](CO)OC(C)(C)C3)c2cc1C ZINC000336895788 444839905 /nfs/dbraw/zinc/83/99/05/444839905.db2.gz ZNXYFOWKEPUPFT-HZPDHXFCSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](CO)OC(C)(C)C3)c2cc1C ZINC000336895788 444839910 /nfs/dbraw/zinc/83/99/10/444839910.db2.gz ZNXYFOWKEPUPFT-HZPDHXFCSA-N 2 2 347.459 1.486 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336918305 444852451 /nfs/dbraw/zinc/85/24/51/444852451.db2.gz OXQBNLJWHHNPHU-HNNXBMFYSA-N 2 2 333.432 1.807 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2c2ccnn2C(C)C)CC1 ZINC000344248762 444861961 /nfs/dbraw/zinc/86/19/61/444861961.db2.gz GEUQOFHPXHFFSE-AEFFLSMTSA-N 2 2 336.480 1.994 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341561407 444895345 /nfs/dbraw/zinc/89/53/45/444895345.db2.gz GEOJUWBEPPUXIB-IAGOWNOFSA-N 2 2 340.512 1.613 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341561407 444895351 /nfs/dbraw/zinc/89/53/51/444895351.db2.gz GEOJUWBEPPUXIB-IAGOWNOFSA-N 2 2 340.512 1.613 20 0 EDADLP CN(C(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000625544518 450419309 /nfs/dbraw/zinc/41/93/09/450419309.db2.gz SATHAGRQEQOQGE-UHFFFAOYSA-N 2 2 331.460 1.836 20 0 EDADLP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@H]([NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000337044840 444915645 /nfs/dbraw/zinc/91/56/45/444915645.db2.gz DYGSNTHZVMCXED-GJZGRUSLSA-N 2 2 330.432 1.134 20 0 EDADLP CC1(C)NC(=O)N(CCC[N@H+]2C[C@H]([NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000337044840 444915648 /nfs/dbraw/zinc/91/56/48/444915648.db2.gz DYGSNTHZVMCXED-GJZGRUSLSA-N 2 2 330.432 1.134 20 0 EDADLP COC(=O)c1ccccc1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000342967226 444974642 /nfs/dbraw/zinc/97/46/42/444974642.db2.gz UFYMVRIGEKRHPK-UHFFFAOYSA-N 2 2 347.459 1.158 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(C)[nH+]1 ZINC000341833614 445024865 /nfs/dbraw/zinc/02/48/65/445024865.db2.gz HRHDGJIREJKPLB-GDZNZVCISA-N 2 2 344.459 1.826 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000344516162 445027519 /nfs/dbraw/zinc/02/75/19/445027519.db2.gz FNHWRWNOVRVEIE-SFHVURJKSA-N 2 2 346.500 1.936 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000344516162 445027524 /nfs/dbraw/zinc/02/75/24/445027524.db2.gz FNHWRWNOVRVEIE-SFHVURJKSA-N 2 2 346.500 1.936 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1C[NH+]1CCOCC1 ZINC000344525384 445032945 /nfs/dbraw/zinc/03/29/45/445032945.db2.gz UIDLAAIVMFOHMM-ROUUACIJSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1C[NH+]1CCOCC1 ZINC000344525384 445032949 /nfs/dbraw/zinc/03/29/49/445032949.db2.gz UIDLAAIVMFOHMM-ROUUACIJSA-N 2 2 343.471 1.875 20 0 EDADLP CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337284196 445015079 /nfs/dbraw/zinc/01/50/79/445015079.db2.gz KVZDXQNNIZFDAH-DOTOQJQBSA-N 2 2 348.472 1.680 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000337368185 445050742 /nfs/dbraw/zinc/05/07/42/445050742.db2.gz MYOOJPMMYBIHJE-HNNXBMFYSA-N 2 2 326.485 1.319 20 0 EDADLP CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000339151149 445058553 /nfs/dbraw/zinc/05/85/53/445058553.db2.gz ZVDUJTWZUZQWKH-INIZCTEOSA-N 2 2 333.480 1.594 20 0 EDADLP CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000339151149 445058558 /nfs/dbraw/zinc/05/85/58/445058558.db2.gz ZVDUJTWZUZQWKH-INIZCTEOSA-N 2 2 333.480 1.594 20 0 EDADLP CNC(=O)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341907045 445065886 /nfs/dbraw/zinc/06/58/86/445065886.db2.gz WHMZUSVGFBJSAD-ROUUACIJSA-N 2 2 333.476 1.638 20 0 EDADLP CNC(=O)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341907045 445065890 /nfs/dbraw/zinc/06/58/90/445065890.db2.gz WHMZUSVGFBJSAD-ROUUACIJSA-N 2 2 333.476 1.638 20 0 EDADLP O=S1(=O)CCC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000341910279 445067078 /nfs/dbraw/zinc/06/70/78/445067078.db2.gz LFGBSINVYMCCSI-VYDXJSESSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CCC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000341910279 445067083 /nfs/dbraw/zinc/06/70/83/445067083.db2.gz LFGBSINVYMCCSI-VYDXJSESSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CCC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000341910279 445067088 /nfs/dbraw/zinc/06/70/88/445067088.db2.gz LFGBSINVYMCCSI-VYDXJSESSA-N 2 2 326.506 1.760 20 0 EDADLP C[N@@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1Cc1ccccc1 ZINC000341948186 445088856 /nfs/dbraw/zinc/08/88/56/445088856.db2.gz WAGIOVDVKOQWEC-AQNXPRMDSA-N 2 2 329.488 1.708 20 0 EDADLP C[N@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1Cc1ccccc1 ZINC000341948186 445088860 /nfs/dbraw/zinc/08/88/60/445088860.db2.gz WAGIOVDVKOQWEC-AQNXPRMDSA-N 2 2 329.488 1.708 20 0 EDADLP C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1Cc1ccccc1 ZINC000341948186 445088863 /nfs/dbraw/zinc/08/88/63/445088863.db2.gz WAGIOVDVKOQWEC-AQNXPRMDSA-N 2 2 329.488 1.708 20 0 EDADLP C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1Cc1ccccc1 ZINC000341948186 445088867 /nfs/dbraw/zinc/08/88/67/445088867.db2.gz WAGIOVDVKOQWEC-AQNXPRMDSA-N 2 2 329.488 1.708 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CCN2CCN(c3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000343150791 445099351 /nfs/dbraw/zinc/09/93/51/445099351.db2.gz GBDRQEZRUBAFON-LPHOPBHVSA-N 2 2 334.483 1.878 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CCN(c3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000343150791 445099356 /nfs/dbraw/zinc/09/93/56/445099356.db2.gz GBDRQEZRUBAFON-LPHOPBHVSA-N 2 2 334.483 1.878 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCC[C@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339261721 445122028 /nfs/dbraw/zinc/12/20/28/445122028.db2.gz CEEOJTIUDJFTNX-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCC[C@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000339261721 445122032 /nfs/dbraw/zinc/12/20/32/445122032.db2.gz CEEOJTIUDJFTNX-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000339261721 445122034 /nfs/dbraw/zinc/12/20/34/445122034.db2.gz CEEOJTIUDJFTNX-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000339261721 445122037 /nfs/dbraw/zinc/12/20/37/445122037.db2.gz CEEOJTIUDJFTNX-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC000330845872 445164264 /nfs/dbraw/zinc/16/42/64/445164264.db2.gz CDSHYDJDYWUGNT-CVEARBPZSA-N 2 2 339.505 1.770 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC000330845872 445164267 /nfs/dbraw/zinc/16/42/67/445164267.db2.gz CDSHYDJDYWUGNT-CVEARBPZSA-N 2 2 339.505 1.770 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC000330845872 445164269 /nfs/dbraw/zinc/16/42/69/445164269.db2.gz CDSHYDJDYWUGNT-CVEARBPZSA-N 2 2 339.505 1.770 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC000330845872 445164274 /nfs/dbraw/zinc/16/42/74/445164274.db2.gz 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CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000343400264 445216106 /nfs/dbraw/zinc/21/61/06/445216106.db2.gz JUBYGWVGYJAFPD-JFIYKMOQSA-N 2 2 336.480 1.444 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000343400264 445216107 /nfs/dbraw/zinc/21/61/07/445216107.db2.gz JUBYGWVGYJAFPD-JFIYKMOQSA-N 2 2 336.480 1.444 20 0 EDADLP CC[C@@H]1OCCC[C@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346474747 445216369 /nfs/dbraw/zinc/21/63/69/445216369.db2.gz CZVDJUGHUZYKIU-NXHRZFHOSA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346474747 445216371 /nfs/dbraw/zinc/21/63/71/445216371.db2.gz CZVDJUGHUZYKIU-NXHRZFHOSA-N 2 2 337.508 1.819 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)[C@H]3CC[NH2+]CC3(F)F)CC2)[nH+]c1 ZINC000343448151 445224882 /nfs/dbraw/zinc/22/48/82/445224882.db2.gz ZLXGLUCOEJDYRD-CQSZACIVSA-N 2 2 338.402 1.720 20 0 EDADLP CN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CCC[N@H+](C)C1 ZINC000343522265 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1.367 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000359772398 445419684 /nfs/dbraw/zinc/41/96/84/445419684.db2.gz FZUQSURVECOHIV-NEWSRXKRSA-N 2 2 345.487 1.859 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357094034 445424620 /nfs/dbraw/zinc/42/46/20/445424620.db2.gz XVDVKAWFGFCPLI-DLBZAZTESA-N 2 2 331.460 1.585 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357094034 445424623 /nfs/dbraw/zinc/42/46/23/445424623.db2.gz XVDVKAWFGFCPLI-DLBZAZTESA-N 2 2 331.460 1.585 20 0 EDADLP CCCc1cc(NCCC[N@@H+]2CCNC(=O)C2)c2ccccc2[nH+]1 ZINC000362637780 445473664 /nfs/dbraw/zinc/47/36/64/445473664.db2.gz ZPXASTUVHLTZSC-UHFFFAOYSA-N 2 2 326.444 1.843 20 0 EDADLP CCCc1cc(NCCC[N@H+]2CCNC(=O)C2)c2ccccc2[nH+]1 ZINC000362637780 445473666 /nfs/dbraw/zinc/47/36/66/445473666.db2.gz ZPXASTUVHLTZSC-UHFFFAOYSA-N 2 2 326.444 1.843 20 0 EDADLP C[C@@H]1CN(Cc2nnc(-c3ccco3)o2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000362639210 445474554 /nfs/dbraw/zinc/47/45/54/445474554.db2.gz KLSWRYQGVYVNSQ-CQSZACIVSA-N 2 2 345.447 1.930 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357108758 445433290 /nfs/dbraw/zinc/43/32/90/445433290.db2.gz VCQAGOSAWQRZSZ-CABCVRRESA-N 2 2 335.423 1.204 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357108758 445433294 /nfs/dbraw/zinc/43/32/94/445433294.db2.gz VCQAGOSAWQRZSZ-CABCVRRESA-N 2 2 335.423 1.204 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3ncn([C@@H]4CCC[NH2+]C4)n3)cn2c1 ZINC000357131044 445444644 /nfs/dbraw/zinc/44/46/44/445444644.db2.gz JSRFEQWRJBXPFX-CQSZACIVSA-N 2 2 339.403 1.089 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCO1 ZINC000355134616 445446198 /nfs/dbraw/zinc/44/61/98/445446198.db2.gz NLNFJABNCRHVMD-ARFHVFGLSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCO1 ZINC000355134616 445446201 /nfs/dbraw/zinc/44/62/01/445446201.db2.gz 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CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362672326 445491305 /nfs/dbraw/zinc/49/13/05/445491305.db2.gz MGULTGLYSKCZMJ-INIZCTEOSA-N 2 2 330.432 1.041 20 0 EDADLP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362672326 445491310 /nfs/dbraw/zinc/49/13/10/445491310.db2.gz MGULTGLYSKCZMJ-INIZCTEOSA-N 2 2 330.432 1.041 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000357235647 445498112 /nfs/dbraw/zinc/49/81/12/445498112.db2.gz WHXNGHWABSOTMU-UHFFFAOYSA-N 2 2 349.479 1.100 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000357244027 445503313 /nfs/dbraw/zinc/50/33/13/445503313.db2.gz HCUVICJUVBAZCM-HNNXBMFYSA-N 2 2 349.442 1.955 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000357244027 445503315 /nfs/dbraw/zinc/50/33/15/445503315.db2.gz HCUVICJUVBAZCM-HNNXBMFYSA-N 2 2 349.442 1.955 20 0 EDADLP COCCOc1ccccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362697377 445505432 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O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000362826621 445567600 /nfs/dbraw/zinc/56/76/00/445567600.db2.gz OZEAPVPIGSWGHT-CYBMUJFWSA-N 2 2 346.456 1.799 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000362828370 445568787 /nfs/dbraw/zinc/56/87/87/445568787.db2.gz WCVBDZXVRBTOMN-AWEZNQCLSA-N 2 2 337.851 1.615 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000362828370 445568791 /nfs/dbraw/zinc/56/87/91/445568791.db2.gz WCVBDZXVRBTOMN-AWEZNQCLSA-N 2 2 337.851 1.615 20 0 EDADLP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830315 445570849 /nfs/dbraw/zinc/57/08/49/445570849.db2.gz JPTKHMLTNAYVPC-MRXNPFEDSA-N 2 2 347.459 1.360 20 0 EDADLP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830315 445570851 /nfs/dbraw/zinc/57/08/51/445570851.db2.gz JPTKHMLTNAYVPC-MRXNPFEDSA-N 2 2 347.459 1.360 20 0 EDADLP COC(=O)c1ccccc1CC[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000360059061 445548957 /nfs/dbraw/zinc/54/89/57/445548957.db2.gz ZIVJYKRWRZLIEQ-OAHLLOKOSA-N 2 2 334.460 1.793 20 0 EDADLP COC(=O)c1ccccc1CC[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000360059061 445548960 /nfs/dbraw/zinc/54/89/60/445548960.db2.gz ZIVJYKRWRZLIEQ-OAHLLOKOSA-N 2 2 334.460 1.793 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000349525911 445604715 /nfs/dbraw/zinc/60/47/15/445604715.db2.gz PHMXVLZNVHKGMX-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000349639685 445630565 /nfs/dbraw/zinc/63/05/65/445630565.db2.gz SBNCPMOWLWMSQF-GOSISDBHSA-N 2 2 330.476 1.990 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000349639685 445630569 /nfs/dbraw/zinc/63/05/69/445630569.db2.gz SBNCPMOWLWMSQF-GOSISDBHSA-N 2 2 330.476 1.990 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCn2c(C)[nH+]c3ccccc32)C1 ZINC000353429347 445597205 /nfs/dbraw/zinc/59/72/05/445597205.db2.gz FWRKEFXIHHPTIC-OAHLLOKOSA-N 2 2 330.432 1.572 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)CCn2c(C)[nH+]c3ccccc32)C1 ZINC000353429347 445597208 /nfs/dbraw/zinc/59/72/08/445597208.db2.gz FWRKEFXIHHPTIC-OAHLLOKOSA-N 2 2 330.432 1.572 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000360236078 445646941 /nfs/dbraw/zinc/64/69/41/445646941.db2.gz ZBZIAIJMBKVKRK-OTWHNJEPSA-N 3 2 341.540 1.560 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000360236078 445646944 /nfs/dbraw/zinc/64/69/44/445646944.db2.gz ZBZIAIJMBKVKRK-OTWHNJEPSA-N 3 2 341.540 1.560 20 0 EDADLP CCC[N@H+](C)CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000358567936 445655155 /nfs/dbraw/zinc/65/51/55/445655155.db2.gz QEQPLAPKVPOPOO-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP CCC[N@@H+](C)CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000358567936 445655159 /nfs/dbraw/zinc/65/51/59/445655159.db2.gz QEQPLAPKVPOPOO-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP Cn1ncc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1=O ZINC000363031726 445655170 /nfs/dbraw/zinc/65/51/70/445655170.db2.gz PXEFJZPGUFXIQZ-LLVKDONJSA-N 2 2 325.844 1.014 20 0 EDADLP Cn1ncc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1=O ZINC000363031726 445655176 /nfs/dbraw/zinc/65/51/76/445655176.db2.gz PXEFJZPGUFXIQZ-LLVKDONJSA-N 2 2 325.844 1.014 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000356165017 445657169 /nfs/dbraw/zinc/65/71/69/445657169.db2.gz HHONJLAQFFXXDX-AEFFLSMTSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000356165017 445657173 /nfs/dbraw/zinc/65/71/73/445657173.db2.gz HHONJLAQFFXXDX-AEFFLSMTSA-N 2 2 335.492 1.574 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1NC(C)=O ZINC000360251641 445657875 /nfs/dbraw/zinc/65/78/75/445657875.db2.gz TXZBYZVOKNGLHJ-BBRMVZONSA-N 2 2 335.448 1.761 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000358580343 445660052 /nfs/dbraw/zinc/66/00/52/445660052.db2.gz XKYAMRJVTSDNBF-UAFMIMERSA-N 3 2 331.504 1.799 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000358580343 445660054 /nfs/dbraw/zinc/66/00/54/445660054.db2.gz XKYAMRJVTSDNBF-UAFMIMERSA-N 3 2 331.504 1.799 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](c2noc(CCCC[NH+]3CCOCC3)n2)C1 ZINC000349845300 445695808 /nfs/dbraw/zinc/69/58/08/445695808.db2.gz AWONMBXZYZBASG-HNNXBMFYSA-N 2 2 338.452 1.506 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](c2noc(CCCC[NH+]3CCOCC3)n2)C1 ZINC000349845300 445695812 /nfs/dbraw/zinc/69/58/12/445695812.db2.gz AWONMBXZYZBASG-HNNXBMFYSA-N 2 2 338.452 1.506 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356258149 445703412 /nfs/dbraw/zinc/70/34/12/445703412.db2.gz VDJPSVRIVQTBCQ-DNVCBOLYSA-N 2 2 348.491 1.250 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356258149 445703416 /nfs/dbraw/zinc/70/34/16/445703416.db2.gz VDJPSVRIVQTBCQ-DNVCBOLYSA-N 2 2 348.491 1.250 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000363261754 445744664 /nfs/dbraw/zinc/74/46/64/445744664.db2.gz PGFPOPKRFFUHEA-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000363261754 445744666 /nfs/dbraw/zinc/74/46/66/445744666.db2.gz PGFPOPKRFFUHEA-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP CC[C@H](C(=O)OC)[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358866010 445819350 /nfs/dbraw/zinc/81/93/50/445819350.db2.gz QSWQJKJZZNUDIV-YQQAZPJKSA-N 2 2 342.480 1.528 20 0 EDADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccn(C)n1 ZINC000353946899 445822071 /nfs/dbraw/zinc/82/20/71/445822071.db2.gz JSVNAXICMZEFOP-WTXIUTQJSA-N 2 2 333.480 1.544 20 0 EDADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccn(C)n1 ZINC000353946899 445822075 /nfs/dbraw/zinc/82/20/75/445822075.db2.gz JSVNAXICMZEFOP-WTXIUTQJSA-N 2 2 333.480 1.544 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](CCO)[C@H]3CCO[C@@H]3C)c2cc1C ZINC000361570826 445824885 /nfs/dbraw/zinc/82/48/85/445824885.db2.gz FPWZRAKFXKWIIF-NUJGCVRESA-N 2 2 347.459 1.486 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CCO)[C@H]3CCO[C@@H]3C)c2cc1C ZINC000361570826 445824887 /nfs/dbraw/zinc/82/48/87/445824887.db2.gz FPWZRAKFXKWIIF-NUJGCVRESA-N 2 2 347.459 1.486 20 0 EDADLP CCOC(=O)[C@@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358877483 445826801 /nfs/dbraw/zinc/82/68/01/445826801.db2.gz WQDLIEFQKHNTMM-OWCLPIDISA-N 2 2 342.480 1.528 20 0 EDADLP CCOC(=O)[C@@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358877483 445826805 /nfs/dbraw/zinc/82/68/05/445826805.db2.gz WQDLIEFQKHNTMM-OWCLPIDISA-N 2 2 342.480 1.528 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000361510046 445795750 /nfs/dbraw/zinc/79/57/50/445795750.db2.gz GAUQPQPKOOCPSH-BBWFWOEESA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000361510046 445795754 /nfs/dbraw/zinc/79/57/54/445795754.db2.gz GAUQPQPKOOCPSH-BBWFWOEESA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000350312927 445810041 /nfs/dbraw/zinc/81/00/41/445810041.db2.gz WEEXHKPLUMEGOS-KGLIPLIRSA-N 2 2 335.452 1.056 20 0 EDADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000356602571 445880572 /nfs/dbraw/zinc/88/05/72/445880572.db2.gz IGYSVCVIEQIKBG-UHFFFAOYSA-N 2 2 343.475 1.824 20 0 EDADLP Cn1nncc1CNc1[nH+]c2ccccc2n1CCCn1cc[nH+]c1 ZINC000361631445 445857481 /nfs/dbraw/zinc/85/74/81/445857481.db2.gz KRLUKCGNJZLVFC-UHFFFAOYSA-N 2 2 336.403 2.064 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361676450 445873366 /nfs/dbraw/zinc/87/33/66/445873366.db2.gz YNKZVMIEHMKXEL-HRCADAONSA-N 2 2 333.480 1.780 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361676450 445873368 /nfs/dbraw/zinc/87/33/68/445873368.db2.gz YNKZVMIEHMKXEL-HRCADAONSA-N 2 2 333.480 1.780 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361676450 445873370 /nfs/dbraw/zinc/87/33/70/445873370.db2.gz YNKZVMIEHMKXEL-HRCADAONSA-N 2 2 333.480 1.780 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361676450 445873372 /nfs/dbraw/zinc/87/33/72/445873372.db2.gz YNKZVMIEHMKXEL-HRCADAONSA-N 2 2 333.480 1.780 20 0 EDADLP Cc1ccc(CCC[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c[nH+]1 ZINC000354133524 445932216 /nfs/dbraw/zinc/93/22/16/445932216.db2.gz GRSCJXAYHDDJMK-GOSISDBHSA-N 3 2 332.492 1.855 20 0 EDADLP Cc1ccc(CCC[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c[nH+]1 ZINC000354133524 445932219 /nfs/dbraw/zinc/93/22/19/445932219.db2.gz GRSCJXAYHDDJMK-GOSISDBHSA-N 3 2 332.492 1.855 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000356632135 445898162 /nfs/dbraw/zinc/89/81/62/445898162.db2.gz UUTACTNPRNXCNR-DLBZAZTESA-N 2 2 337.508 1.820 20 0 EDADLP COc1ccc([C@H](NC(=O)/C=C/C[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000369160992 445962638 /nfs/dbraw/zinc/96/26/38/445962638.db2.gz LSHBNTUCDBTJBQ-RTRPANQVSA-N 2 2 328.416 1.752 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)n(C)c1C ZINC000366020429 445965231 /nfs/dbraw/zinc/96/52/31/445965231.db2.gz AGZFMSUYINWBKW-FHLIZLRMSA-N 2 2 349.475 1.804 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)n(C)c1C ZINC000366020429 445965236 /nfs/dbraw/zinc/96/52/36/445965236.db2.gz AGZFMSUYINWBKW-FHLIZLRMSA-N 2 2 349.475 1.804 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(c3ncnc4nc[nH]c43)CC2)CC1 ZINC000361827995 445985506 /nfs/dbraw/zinc/98/55/06/445985506.db2.gz CKHZWVGTPWCUQK-UHFFFAOYSA-N 2 2 329.452 1.349 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000356753678 445986880 /nfs/dbraw/zinc/98/68/80/445986880.db2.gz WGRGQMXXGPALDV-NZSAHSFTSA-N 2 2 345.487 1.481 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000366136118 446035529 /nfs/dbraw/zinc/03/55/29/446035529.db2.gz LXSFZGFAYQAZSH-MJBXVCDLSA-N 2 2 335.452 1.018 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000366136118 446035532 /nfs/dbraw/zinc/03/55/32/446035532.db2.gz LXSFZGFAYQAZSH-MJBXVCDLSA-N 2 2 335.452 1.018 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000366136118 446035536 /nfs/dbraw/zinc/03/55/36/446035536.db2.gz LXSFZGFAYQAZSH-MJBXVCDLSA-N 2 2 335.452 1.018 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000366136118 446035537 /nfs/dbraw/zinc/03/55/37/446035537.db2.gz LXSFZGFAYQAZSH-MJBXVCDLSA-N 2 2 335.452 1.018 20 0 EDADLP CCOCC[C@H](O)C[N@@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000373132907 446050613 /nfs/dbraw/zinc/05/06/13/446050613.db2.gz MYJXUWYUJCNYID-KRWDZBQOSA-N 2 2 338.496 1.759 20 0 EDADLP CCOCC[C@H](O)C[N@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000373132907 446050620 /nfs/dbraw/zinc/05/06/20/446050620.db2.gz MYJXUWYUJCNYID-KRWDZBQOSA-N 2 2 338.496 1.759 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CCN(c3cccc[nH+]3)CC1)C2 ZINC000584142115 326206260 /nfs/dbraw/zinc/20/62/60/326206260.db2.gz HJTWHQHSJDLKNN-HNNXBMFYSA-N 2 2 339.443 1.934 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000356851453 446069333 /nfs/dbraw/zinc/06/93/33/446069333.db2.gz MUJCNPMHIQDTBC-DLBZAZTESA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000356851453 446069343 /nfs/dbraw/zinc/06/93/43/446069343.db2.gz MUJCNPMHIQDTBC-DLBZAZTESA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000356851453 446069350 /nfs/dbraw/zinc/06/93/50/446069350.db2.gz MUJCNPMHIQDTBC-DLBZAZTESA-N 2 2 344.503 1.599 20 0 EDADLP CSC1(CNC(=O)[C@H](C)[NH+]2CCSCC2)CC[NH+](C)CC1 ZINC000359301242 446133872 /nfs/dbraw/zinc/13/38/72/446133872.db2.gz VUCPIGNXQMLBGQ-ZDUSSCGKSA-N 2 2 331.551 1.367 20 0 EDADLP CCC[N@@H+]1CCCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000369351348 446094430 /nfs/dbraw/zinc/09/44/30/446094430.db2.gz BVMCLEVAVWMMRK-INIZCTEOSA-N 2 2 333.480 1.750 20 0 EDADLP CCC[N@H+]1CCCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000369351348 446094432 /nfs/dbraw/zinc/09/44/32/446094432.db2.gz BVMCLEVAVWMMRK-INIZCTEOSA-N 2 2 333.480 1.750 20 0 EDADLP Cc1ncccc1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000354303014 446096181 /nfs/dbraw/zinc/09/61/81/446096181.db2.gz ISGBOCZNMODWCG-DFNIBXOVSA-N 2 2 342.487 1.702 20 0 EDADLP Cc1ncccc1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000354303014 446096189 /nfs/dbraw/zinc/09/61/89/446096189.db2.gz ISGBOCZNMODWCG-DFNIBXOVSA-N 2 2 342.487 1.702 20 0 EDADLP CC(=O)Oc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000366241580 446102125 /nfs/dbraw/zinc/10/21/25/446102125.db2.gz ZBZRLZWXZQMCPY-SFHVURJKSA-N 2 2 331.460 1.824 20 0 EDADLP CC(=O)Oc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000366241580 446102127 /nfs/dbraw/zinc/10/21/27/446102127.db2.gz ZBZRLZWXZQMCPY-SFHVURJKSA-N 2 2 331.460 1.824 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373238403 446113961 /nfs/dbraw/zinc/11/39/61/446113961.db2.gz ZSUBFIDQACNARG-KRWDZBQOSA-N 2 2 325.416 1.732 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373238403 446113964 /nfs/dbraw/zinc/11/39/64/446113964.db2.gz ZSUBFIDQACNARG-KRWDZBQOSA-N 2 2 325.416 1.732 20 0 EDADLP C[C@H](c1nnnn1C1CC1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000365271839 446116437 /nfs/dbraw/zinc/11/64/37/446116437.db2.gz IATQHOAVRQWRFR-ZIAGYGMSSA-N 2 2 333.484 1.169 20 0 EDADLP C[C@H](c1nnnn1C1CC1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000365271839 446116441 /nfs/dbraw/zinc/11/64/41/446116441.db2.gz IATQHOAVRQWRFR-ZIAGYGMSSA-N 2 2 333.484 1.169 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(CCO)CCOC1 ZINC000361980217 446123764 /nfs/dbraw/zinc/12/37/64/446123764.db2.gz IKCLYGSOQWIHME-NEWSRXKRSA-N 2 2 333.476 1.671 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(CCO)CCOC1 ZINC000361980217 446123769 /nfs/dbraw/zinc/12/37/69/446123769.db2.gz IKCLYGSOQWIHME-NEWSRXKRSA-N 2 2 333.476 1.671 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000354396351 446174501 /nfs/dbraw/zinc/17/45/01/446174501.db2.gz UKSVKQTUJXDDKH-HNNXBMFYSA-N 2 2 349.479 1.065 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000373288292 446145012 /nfs/dbraw/zinc/14/50/12/446145012.db2.gz YJHHSTIGJXLZOI-HZPDHXFCSA-N 2 2 349.479 1.167 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[NH+]1CCC(c2ccc(C)[nH+]c2)CC1)C(C)C ZINC000351603834 446199654 /nfs/dbraw/zinc/19/96/54/446199654.db2.gz BBEWDMAYBQMSIU-SFHVURJKSA-N 2 2 347.459 1.883 20 0 EDADLP CCc1nnc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1CC ZINC000365424730 446201040 /nfs/dbraw/zinc/20/10/40/446201040.db2.gz CPGCSIDSLMPPEA-OAHLLOKOSA-N 2 2 332.496 1.601 20 0 EDADLP CCc1nnc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1CC ZINC000365424730 446201045 /nfs/dbraw/zinc/20/10/45/446201045.db2.gz CPGCSIDSLMPPEA-OAHLLOKOSA-N 2 2 332.496 1.601 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373424320 446212038 /nfs/dbraw/zinc/21/20/38/446212038.db2.gz ZPCPTHOVPOCFCQ-OAHLLOKOSA-N 3 2 330.476 1.386 20 0 EDADLP C[C@@H]1CN(C(=O)N(C)C2CCOCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000370285105 446213829 /nfs/dbraw/zinc/21/38/29/446213829.db2.gz JUKGJQURNQCBCT-OAHLLOKOSA-N 2 2 338.496 1.318 20 0 EDADLP C[C@@H]1CN(C(=O)N(C)C2CCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000370285105 446213834 /nfs/dbraw/zinc/21/38/34/446213834.db2.gz JUKGJQURNQCBCT-OAHLLOKOSA-N 2 2 338.496 1.318 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CCc3[nH+]ccn3C2)[nH+]cn1 ZINC000365486841 446228418 /nfs/dbraw/zinc/22/84/18/446228418.db2.gz QSPSLORJONXKAP-KBPBESRZSA-N 2 2 328.420 1.451 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CCc3[nH+]ccn3C2)nc[nH+]1 ZINC000365486841 446228421 /nfs/dbraw/zinc/22/84/21/446228421.db2.gz QSPSLORJONXKAP-KBPBESRZSA-N 2 2 328.420 1.451 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)NCc1ccc(F)cc1 ZINC000365547913 446249164 /nfs/dbraw/zinc/24/91/64/446249164.db2.gz OMBZLMCQXRLPBX-NJAFHUGGSA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)NCc1ccc(F)cc1 ZINC000365547913 446249169 /nfs/dbraw/zinc/24/91/69/446249169.db2.gz OMBZLMCQXRLPBX-NJAFHUGGSA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)NCc1ccc(F)cc1 ZINC000365547913 446249174 /nfs/dbraw/zinc/24/91/74/446249174.db2.gz OMBZLMCQXRLPBX-NJAFHUGGSA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)NCc1ccc(F)cc1 ZINC000365547913 446249178 /nfs/dbraw/zinc/24/91/78/446249178.db2.gz OMBZLMCQXRLPBX-NJAFHUGGSA-N 2 2 331.435 1.858 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373587648 446273063 /nfs/dbraw/zinc/27/30/63/446273063.db2.gz YDPBNCSJUACGPI-DLBZAZTESA-N 2 2 326.444 1.735 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362252425 446287654 /nfs/dbraw/zinc/28/76/54/446287654.db2.gz CBXLGFDBKWCDTC-CJNGLKHVSA-N 2 2 340.431 1.549 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362252425 446287660 /nfs/dbraw/zinc/28/76/60/446287660.db2.gz CBXLGFDBKWCDTC-CJNGLKHVSA-N 2 2 340.431 1.549 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)no1 ZINC000359560425 446290850 /nfs/dbraw/zinc/29/08/50/446290850.db2.gz GSDHRJFPAWQBIG-DOTOQJQBSA-N 2 2 328.416 1.564 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)no1 ZINC000359560425 446290852 /nfs/dbraw/zinc/29/08/52/446290852.db2.gz GSDHRJFPAWQBIG-DOTOQJQBSA-N 2 2 328.416 1.564 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CCC(OCC[NH+]4CCCC4)CC3)c2C1 ZINC000365709712 446309936 /nfs/dbraw/zinc/30/99/36/446309936.db2.gz FHBBPXAUMXGNTD-UHFFFAOYSA-N 2 2 345.491 1.546 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CCC(OCC[NH+]4CCCC4)CC3)c2C1 ZINC000365709712 446309939 /nfs/dbraw/zinc/30/99/39/446309939.db2.gz FHBBPXAUMXGNTD-UHFFFAOYSA-N 2 2 345.491 1.546 20 0 EDADLP CN(C(=O)c1ccc(F)cc1O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366710233 446318272 /nfs/dbraw/zinc/31/82/72/446318272.db2.gz NJKBKOMRBWONAP-HNNXBMFYSA-N 2 2 335.423 1.772 20 0 EDADLP CN(C(=O)c1ccc(F)cc1O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366710233 446318274 /nfs/dbraw/zinc/31/82/74/446318274.db2.gz NJKBKOMRBWONAP-HNNXBMFYSA-N 2 2 335.423 1.772 20 0 EDADLP C[C@@H]1COCC[C@@H]1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000376121936 446343636 /nfs/dbraw/zinc/34/36/36/446343636.db2.gz CFUBTDSCWJTZQK-IAGOWNOFSA-N 2 2 325.497 1.045 20 0 EDADLP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000376121936 446343638 /nfs/dbraw/zinc/34/36/38/446343638.db2.gz CFUBTDSCWJTZQK-IAGOWNOFSA-N 2 2 325.497 1.045 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)C2 ZINC000376225280 446390095 /nfs/dbraw/zinc/39/00/95/446390095.db2.gz IYKHEBFTAUSGGI-KRWDZBQOSA-N 2 2 334.464 1.635 20 0 EDADLP COC(=O)c1cc(C)nc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000376228485 446390956 /nfs/dbraw/zinc/39/09/56/446390956.db2.gz LPOOBMZNEDYRTL-HNNXBMFYSA-N 2 2 347.463 1.176 20 0 EDADLP COC(=O)c1cc(C)nc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000376228485 446390963 /nfs/dbraw/zinc/39/09/63/446390963.db2.gz LPOOBMZNEDYRTL-HNNXBMFYSA-N 2 2 347.463 1.176 20 0 EDADLP COC(=O)c1cc(C)nc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000376228486 446391253 /nfs/dbraw/zinc/39/12/53/446391253.db2.gz LPOOBMZNEDYRTL-OAHLLOKOSA-N 2 2 347.463 1.176 20 0 EDADLP COC(=O)c1cc(C)nc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000376228486 446391255 /nfs/dbraw/zinc/39/12/55/446391255.db2.gz LPOOBMZNEDYRTL-OAHLLOKOSA-N 2 2 347.463 1.176 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417949675 446395885 /nfs/dbraw/zinc/39/58/85/446395885.db2.gz JLEPNTKJUOQCDK-KGLIPLIRSA-N 2 2 326.391 1.747 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417949675 446395886 /nfs/dbraw/zinc/39/58/86/446395886.db2.gz JLEPNTKJUOQCDK-KGLIPLIRSA-N 2 2 326.391 1.747 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCN([C@H]4CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000420261466 446436494 /nfs/dbraw/zinc/43/64/94/446436494.db2.gz PIQCHVASHYUFJE-CVEARBPZSA-N 2 2 330.480 1.197 20 0 EDADLP C[C@@H]1CSC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376345002 446443956 /nfs/dbraw/zinc/44/39/56/446443956.db2.gz XAALCWJUJQJJRI-NFAWXSAZSA-N 2 2 326.510 1.206 20 0 EDADLP C[C@@H]1CSC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376345002 446443961 /nfs/dbraw/zinc/44/39/61/446443961.db2.gz XAALCWJUJQJJRI-NFAWXSAZSA-N 2 2 326.510 1.206 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](OC)c3ccccc3)CC2)C1 ZINC000374821352 446407039 /nfs/dbraw/zinc/40/70/39/446407039.db2.gz FEQWNBCZIYWBCZ-WOJBJXKFSA-N 2 2 347.503 1.712 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](OC)c3ccccc3)CC2)C1 ZINC000374821352 446407045 /nfs/dbraw/zinc/40/70/45/446407045.db2.gz FEQWNBCZIYWBCZ-WOJBJXKFSA-N 2 2 347.503 1.712 20 0 EDADLP C[N@@H+]1CCc2ncnc(NCc3ccnc(N4CCCCC4)c3)c2C1 ZINC000370744367 446413324 /nfs/dbraw/zinc/41/33/24/446413324.db2.gz DVYIUNGXHDPJKY-UHFFFAOYSA-N 2 2 338.459 2.462 20 0 EDADLP C[N@@H+]1CCc2ncnc(NCc3cc[nH+]c(N4CCCCC4)c3)c2C1 ZINC000370744367 446413330 /nfs/dbraw/zinc/41/33/30/446413330.db2.gz DVYIUNGXHDPJKY-UHFFFAOYSA-N 2 2 338.459 2.462 20 0 EDADLP C[N@H+]1CCc2ncnc(NCc3cc[nH+]c(N4CCCCC4)c3)c2C1 ZINC000370744367 446413335 /nfs/dbraw/zinc/41/33/35/446413335.db2.gz DVYIUNGXHDPJKY-UHFFFAOYSA-N 2 2 338.459 2.462 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)C2)nn1 ZINC000420292054 446456542 /nfs/dbraw/zinc/45/65/42/446456542.db2.gz YGMHZFCCGZUHDY-HNNXBMFYSA-N 2 2 342.451 1.359 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCCN(c3cc(N4CCCCC4)nc[nH+]3)C2)nn1 ZINC000420292054 446456544 /nfs/dbraw/zinc/45/65/44/446456544.db2.gz YGMHZFCCGZUHDY-HNNXBMFYSA-N 2 2 342.451 1.359 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1C ZINC000420297980 446458581 /nfs/dbraw/zinc/45/85/81/446458581.db2.gz ZJWKROZJGLORLK-INIZCTEOSA-N 2 2 339.461 1.889 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000420298130 446459353 /nfs/dbraw/zinc/45/93/53/446459353.db2.gz GUOUOQKXFIBFHE-UMVBOHGHSA-N 2 2 328.478 1.491 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000420298130 446459357 /nfs/dbraw/zinc/45/93/57/446459357.db2.gz GUOUOQKXFIBFHE-UMVBOHGHSA-N 2 2 328.478 1.491 20 0 EDADLP C[NH2+]C1CC[NH+](CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000420298414 446461727 /nfs/dbraw/zinc/46/17/27/446461727.db2.gz SBNGVYNMKQWTOG-UHFFFAOYSA-N 2 2 325.478 1.132 20 0 EDADLP Cn1ncc2c1nc[nH+]c2N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000374924039 446462047 /nfs/dbraw/zinc/46/20/47/446462047.db2.gz GFUIUDAOLIGNQL-UHFFFAOYSA-N 2 2 343.479 1.217 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420307761 446469864 /nfs/dbraw/zinc/46/98/64/446469864.db2.gz MMCZVZFXVVQVFQ-CFVMTHIKSA-N 2 2 331.416 1.471 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420307761 446469872 /nfs/dbraw/zinc/46/98/72/446469872.db2.gz MMCZVZFXVVQVFQ-CFVMTHIKSA-N 2 2 331.416 1.471 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000420313363 446477285 /nfs/dbraw/zinc/47/72/85/446477285.db2.gz IXUOFKNJJUQXLJ-GOEBONIOSA-N 2 2 331.420 1.238 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000420313363 446477291 /nfs/dbraw/zinc/47/72/91/446477291.db2.gz IXUOFKNJJUQXLJ-GOEBONIOSA-N 2 2 331.420 1.238 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314389 446480483 /nfs/dbraw/zinc/48/04/83/446480483.db2.gz VSWFSJHRKWYEQF-IEBWSBKVSA-N 3 2 330.476 1.091 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314389 446480485 /nfs/dbraw/zinc/48/04/85/446480485.db2.gz VSWFSJHRKWYEQF-IEBWSBKVSA-N 3 2 330.476 1.091 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000420321487 446488029 /nfs/dbraw/zinc/48/80/29/446488029.db2.gz VIKSVMQNODCLMH-VQTJNVASSA-N 3 2 330.520 1.829 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000420321487 446488035 /nfs/dbraw/zinc/48/80/35/446488035.db2.gz VIKSVMQNODCLMH-VQTJNVASSA-N 3 2 330.520 1.829 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000423328364 446490017 /nfs/dbraw/zinc/49/00/17/446490017.db2.gz DNADFKGITLSEOJ-NJAFHUGGSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420324789 446491984 /nfs/dbraw/zinc/49/19/84/446491984.db2.gz ZZNDSWYQAOXWSR-SJLPKXTDSA-N 2 2 330.476 1.610 20 0 EDADLP O=S1(=O)NC(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)=Nc2ccccc21 ZINC000420333839 446502256 /nfs/dbraw/zinc/50/22/56/446502256.db2.gz TUMRSAFYDOUXRY-KGLIPLIRSA-N 2 2 348.472 1.330 20 0 EDADLP O=S1(=O)NC(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)=Nc2ccccc21 ZINC000420333839 446502265 /nfs/dbraw/zinc/50/22/65/446502265.db2.gz TUMRSAFYDOUXRY-KGLIPLIRSA-N 2 2 348.472 1.330 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411381043 446508432 /nfs/dbraw/zinc/50/84/32/446508432.db2.gz DLGMMKQAIAPSBS-UHFFFAOYSA-N 2 2 331.420 1.319 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418342998 446508587 /nfs/dbraw/zinc/50/85/87/446508587.db2.gz QSALYDCMKSGBPB-QGZVFWFLSA-N 2 2 346.475 1.392 20 0 EDADLP CN(C(=O)N[C@@H]1CSC1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367114337 446509556 /nfs/dbraw/zinc/50/95/56/446509556.db2.gz OAPRPZZVHQLRLQ-LSDHHAIUSA-N 2 2 340.537 1.690 20 0 EDADLP CN(C(=O)N[C@@H]1CSC1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367114337 446509561 /nfs/dbraw/zinc/50/95/61/446509561.db2.gz OAPRPZZVHQLRLQ-LSDHHAIUSA-N 2 2 340.537 1.690 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NCC1C[NH2+]C1 ZINC000418495016 446564555 /nfs/dbraw/zinc/56/45/55/446564555.db2.gz ZQHHDLCPYKHPAQ-KBPBESRZSA-N 2 2 340.468 1.521 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NCC1C[NH2+]C1 ZINC000418495016 446564558 /nfs/dbraw/zinc/56/45/58/446564558.db2.gz ZQHHDLCPYKHPAQ-KBPBESRZSA-N 2 2 340.468 1.521 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420391403 446566683 /nfs/dbraw/zinc/56/66/83/446566683.db2.gz AUAFBIQCXDQVOK-JSGCOSHPSA-N 2 2 339.867 1.882 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420391403 446566692 /nfs/dbraw/zinc/56/66/92/446566692.db2.gz AUAFBIQCXDQVOK-JSGCOSHPSA-N 2 2 339.867 1.882 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350834 446529278 /nfs/dbraw/zinc/52/92/78/446529278.db2.gz IEVHAQVKZLCSPZ-HOCLYGCPSA-N 2 2 327.428 1.932 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350834 446529285 /nfs/dbraw/zinc/52/92/85/446529285.db2.gz IEVHAQVKZLCSPZ-HOCLYGCPSA-N 2 2 327.428 1.932 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418412647 446534038 /nfs/dbraw/zinc/53/40/38/446534038.db2.gz RHSYKSONMXYMTA-SQNIBIBYSA-N 2 2 348.491 1.683 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418412647 446534044 /nfs/dbraw/zinc/53/40/44/446534044.db2.gz RHSYKSONMXYMTA-SQNIBIBYSA-N 2 2 348.491 1.683 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423439814 446538163 /nfs/dbraw/zinc/53/81/63/446538163.db2.gz IFKCSUMKJQIJFK-MSOLQXFVSA-N 2 2 335.492 1.620 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423439814 446538168 /nfs/dbraw/zinc/53/81/68/446538168.db2.gz IFKCSUMKJQIJFK-MSOLQXFVSA-N 2 2 335.492 1.620 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359950 446539967 /nfs/dbraw/zinc/53/99/67/446539967.db2.gz WMWNJCWJITUKDS-LZWOXQAQSA-N 2 2 329.444 1.657 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359950 446539971 /nfs/dbraw/zinc/53/99/71/446539971.db2.gz WMWNJCWJITUKDS-LZWOXQAQSA-N 2 2 329.444 1.657 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)[nH+]1 ZINC000367383451 446540134 /nfs/dbraw/zinc/54/01/34/446540134.db2.gz FVKRJXHMTYJUJQ-ZIAGYGMSSA-N 2 2 343.435 1.300 20 0 EDADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000420362911 446543015 /nfs/dbraw/zinc/54/30/15/446543015.db2.gz ZTUSKQYGMPVRDX-MFKMUULPSA-N 2 2 332.231 1.350 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000420362911 446543019 /nfs/dbraw/zinc/54/30/19/446543019.db2.gz ZTUSKQYGMPVRDX-MFKMUULPSA-N 2 2 332.231 1.350 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418439810 446544400 /nfs/dbraw/zinc/54/44/00/446544400.db2.gz ODRMFDUOLKQEBG-AWEZNQCLSA-N 2 2 349.479 1.828 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418438126 446544546 /nfs/dbraw/zinc/54/45/46/446544546.db2.gz IULBHHAWPSAPIG-AWEZNQCLSA-N 2 2 339.509 1.734 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418438126 446544550 /nfs/dbraw/zinc/54/45/50/446544550.db2.gz IULBHHAWPSAPIG-AWEZNQCLSA-N 2 2 339.509 1.734 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC2 ZINC000420373899 446551232 /nfs/dbraw/zinc/55/12/32/446551232.db2.gz ZONBIAXZOXOAFC-KRWDZBQOSA-N 2 2 349.475 1.552 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000453257465 446552576 /nfs/dbraw/zinc/55/25/76/446552576.db2.gz GVTDVGWMMLJNHN-YZGWKJHDSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000418459898 446552500 /nfs/dbraw/zinc/55/25/00/446552500.db2.gz JKTAVPDMIFBGAH-YOEHRIQHSA-N 2 2 332.448 1.322 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000453257465 446552582 /nfs/dbraw/zinc/55/25/82/446552582.db2.gz GVTDVGWMMLJNHN-YZGWKJHDSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1C[NH3+] ZINC000420375230 446553009 /nfs/dbraw/zinc/55/30/09/446553009.db2.gz IPBJEIQEASONJG-QWRGUYRKSA-N 2 2 341.358 1.863 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1C[NH3+] ZINC000420375230 446553012 /nfs/dbraw/zinc/55/30/12/446553012.db2.gz IPBJEIQEASONJG-QWRGUYRKSA-N 2 2 341.358 1.863 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420376391 446554929 /nfs/dbraw/zinc/55/49/29/446554929.db2.gz OXRSRXVEAFCUBT-SCLBCKFNSA-N 2 2 330.432 1.188 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420376391 446554937 /nfs/dbraw/zinc/55/49/37/446554937.db2.gz OXRSRXVEAFCUBT-SCLBCKFNSA-N 2 2 330.432 1.188 20 0 EDADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cn[nH]c1 ZINC000371078471 446614240 /nfs/dbraw/zinc/61/42/40/446614240.db2.gz WMNFQANRUGSXFO-HNNXBMFYSA-N 2 2 348.495 1.720 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000420395209 446570370 /nfs/dbraw/zinc/57/03/70/446570370.db2.gz DCWYYTIJGFBETI-UKRRQHHQSA-N 2 2 332.448 1.244 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000420395209 446570375 /nfs/dbraw/zinc/57/03/75/446570375.db2.gz DCWYYTIJGFBETI-UKRRQHHQSA-N 2 2 332.448 1.244 20 0 EDADLP CC[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418521828 446579989 /nfs/dbraw/zinc/57/99/89/446579989.db2.gz HQMWAISFNOQRNP-OAHLLOKOSA-N 2 2 340.418 1.886 20 0 EDADLP CC[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418521828 446579993 /nfs/dbraw/zinc/57/99/93/446579993.db2.gz HQMWAISFNOQRNP-OAHLLOKOSA-N 2 2 340.418 1.886 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])C[C@H]1Cc1ccccc1 ZINC000418525637 446581707 /nfs/dbraw/zinc/58/17/07/446581707.db2.gz PLIBNQFIRPFZLX-CQSZACIVSA-N 2 2 326.391 1.149 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])C[C@H]1Cc1ccccc1 ZINC000418525637 446581713 /nfs/dbraw/zinc/58/17/13/446581713.db2.gz PLIBNQFIRPFZLX-CQSZACIVSA-N 2 2 326.391 1.149 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000420418604 446592395 /nfs/dbraw/zinc/59/23/95/446592395.db2.gz XAKAHGMINGVPAM-NXHRZFHOSA-N 3 2 332.492 1.322 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000420418604 446592401 /nfs/dbraw/zinc/59/24/01/446592401.db2.gz XAKAHGMINGVPAM-NXHRZFHOSA-N 3 2 332.492 1.322 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420419308 446593907 /nfs/dbraw/zinc/59/39/07/446593907.db2.gz XPCJGJCATOXQRL-HIFRSBDPSA-N 2 2 333.432 1.719 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420419308 446593911 /nfs/dbraw/zinc/59/39/11/446593911.db2.gz XPCJGJCATOXQRL-HIFRSBDPSA-N 2 2 333.432 1.719 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)CC2 ZINC000423593800 446594330 /nfs/dbraw/zinc/59/43/30/446594330.db2.gz MRCSGPQIRZVTNU-XJKSGUPXSA-N 2 2 347.459 1.176 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)CC2 ZINC000423593800 446594335 /nfs/dbraw/zinc/59/43/35/446594335.db2.gz MRCSGPQIRZVTNU-XJKSGUPXSA-N 2 2 347.459 1.176 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000368011563 446619704 /nfs/dbraw/zinc/61/97/04/446619704.db2.gz ZGTDKPFGCSJJFK-BZUAXINKSA-N 3 2 345.491 1.279 20 0 EDADLP CC(C)[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@@H+]1C ZINC000433811823 446601910 /nfs/dbraw/zinc/60/19/10/446601910.db2.gz SPHQWSDDQHVDJA-CVEARBPZSA-N 2 2 333.480 1.604 20 0 EDADLP CC(C)[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@H+]1C ZINC000433811823 446601915 /nfs/dbraw/zinc/60/19/15/446601915.db2.gz SPHQWSDDQHVDJA-CVEARBPZSA-N 2 2 333.480 1.604 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418593122 446606748 /nfs/dbraw/zinc/60/67/48/446606748.db2.gz QXNIFVJWKQYOHJ-NJAFHUGGSA-N 2 2 348.491 1.698 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418593122 446606753 /nfs/dbraw/zinc/60/67/53/446606753.db2.gz QXNIFVJWKQYOHJ-NJAFHUGGSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000368102130 446644080 /nfs/dbraw/zinc/64/40/80/446644080.db2.gz MMZSIHYTWGWGCN-BXUZGUMPSA-N 2 2 334.445 1.989 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000368102130 446644084 /nfs/dbraw/zinc/64/40/84/446644084.db2.gz MMZSIHYTWGWGCN-BXUZGUMPSA-N 2 2 334.445 1.989 20 0 EDADLP [NH3+]CC[C@H](NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)C(F)F ZINC000418733743 446659055 /nfs/dbraw/zinc/65/90/55/446659055.db2.gz KZKURTAUHSKJMZ-AWEZNQCLSA-N 2 2 344.381 1.635 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423721863 446659197 /nfs/dbraw/zinc/65/91/97/446659197.db2.gz CHCDNEXIMHGKKZ-UHFFFAOYSA-N 2 2 339.480 1.383 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000423721863 446659204 /nfs/dbraw/zinc/65/92/04/446659204.db2.gz CHCDNEXIMHGKKZ-UHFFFAOYSA-N 2 2 339.480 1.383 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368142638 446666104 /nfs/dbraw/zinc/66/61/04/446666104.db2.gz MDMKRLHBHPWLNB-CIRFHOKZSA-N 2 2 336.501 1.920 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368142638 446666111 /nfs/dbraw/zinc/66/61/11/446666111.db2.gz MDMKRLHBHPWLNB-CIRFHOKZSA-N 2 2 336.501 1.920 20 0 EDADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371105395 446631580 /nfs/dbraw/zinc/63/15/80/446631580.db2.gz CLDUCOFPOFODFX-KRWDZBQOSA-N 2 2 347.459 1.262 20 0 EDADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371105395 446631588 /nfs/dbraw/zinc/63/15/88/446631588.db2.gz CLDUCOFPOFODFX-KRWDZBQOSA-N 2 2 347.459 1.262 20 0 EDADLP COC(=O)CNC(=O)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371105395 446631595 /nfs/dbraw/zinc/63/15/95/446631595.db2.gz CLDUCOFPOFODFX-KRWDZBQOSA-N 2 2 347.459 1.262 20 0 EDADLP COC(=O)CNC(=O)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371105395 446631601 /nfs/dbraw/zinc/63/16/01/446631601.db2.gz CLDUCOFPOFODFX-KRWDZBQOSA-N 2 2 347.459 1.262 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000435336277 446688347 /nfs/dbraw/zinc/68/83/47/446688347.db2.gz NQKQIKFHAORZFI-CQSZACIVSA-N 2 2 335.452 1.590 20 0 EDADLP CC1(C)COCC[N@H+]1CCNc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000435336277 446688354 /nfs/dbraw/zinc/68/83/54/446688354.db2.gz NQKQIKFHAORZFI-CQSZACIVSA-N 2 2 335.452 1.590 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423769820 446696609 /nfs/dbraw/zinc/69/66/09/446696609.db2.gz FOAVRUCZGTXNPL-MRXNPFEDSA-N 2 2 341.459 1.372 20 0 EDADLP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc2nccn12 ZINC000371219656 446697216 /nfs/dbraw/zinc/69/72/16/446697216.db2.gz MTJDUWJYJWWPRR-CYBMUJFWSA-N 2 2 347.488 1.603 20 0 EDADLP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc2nccn12 ZINC000371219656 446697222 /nfs/dbraw/zinc/69/72/22/446697222.db2.gz MTJDUWJYJWWPRR-CYBMUJFWSA-N 2 2 347.488 1.603 20 0 EDADLP NC(=O)C[C@H]1COCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411855503 446699354 /nfs/dbraw/zinc/69/93/54/446699354.db2.gz AZFBMKRXNMDHJK-SFHVURJKSA-N 2 2 331.460 1.749 20 0 EDADLP NC(=O)C[C@H]1COCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411855503 446699359 /nfs/dbraw/zinc/69/93/59/446699359.db2.gz AZFBMKRXNMDHJK-SFHVURJKSA-N 2 2 331.460 1.749 20 0 EDADLP O[C@@H]1C[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[N@H+](Cc2ccccc2)C1 ZINC000368227189 446722030 /nfs/dbraw/zinc/72/20/30/446722030.db2.gz OWMGLWZGOYPJBY-IAGOWNOFSA-N 2 2 337.427 1.635 20 0 EDADLP O[C@@H]1C[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[N@@H+](Cc2ccccc2)C1 ZINC000368227189 446722038 /nfs/dbraw/zinc/72/20/38/446722038.db2.gz OWMGLWZGOYPJBY-IAGOWNOFSA-N 2 2 337.427 1.635 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000423859652 446733612 /nfs/dbraw/zinc/73/36/12/446733612.db2.gz IZGXPDQKXDEAQO-QAPCUYQASA-N 2 2 347.459 1.106 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000423859652 446733621 /nfs/dbraw/zinc/73/36/21/446733621.db2.gz IZGXPDQKXDEAQO-QAPCUYQASA-N 2 2 347.459 1.106 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423907253 446757142 /nfs/dbraw/zinc/75/71/42/446757142.db2.gz AVKBNVJRHCLGOD-IHRRRGAJSA-N 2 2 343.468 1.483 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423907253 446757145 /nfs/dbraw/zinc/75/71/45/446757145.db2.gz AVKBNVJRHCLGOD-IHRRRGAJSA-N 2 2 343.468 1.483 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423914948 446765673 /nfs/dbraw/zinc/76/56/73/446765673.db2.gz LNURQCRJKQCXBZ-ZQIUZPCESA-N 2 2 339.459 1.308 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)C1CCCCC1 ZINC000437844546 446765931 /nfs/dbraw/zinc/76/59/31/446765931.db2.gz UXYYLKIHVYJGBZ-QGZVFWFLSA-N 2 2 325.497 1.412 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)C1CCCCC1 ZINC000437844546 446765934 /nfs/dbraw/zinc/76/59/34/446765934.db2.gz UXYYLKIHVYJGBZ-QGZVFWFLSA-N 2 2 325.497 1.412 20 0 EDADLP C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C[NH2+]CC1CC1)CC2 ZINC000423917794 446766875 /nfs/dbraw/zinc/76/68/75/446766875.db2.gz OOMUOZAAIKCPSM-HNNXBMFYSA-N 2 2 348.516 1.956 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)C[NH2+]CC1CC1)CC2 ZINC000423917794 446766883 /nfs/dbraw/zinc/76/68/83/446766883.db2.gz OOMUOZAAIKCPSM-HNNXBMFYSA-N 2 2 348.516 1.956 20 0 EDADLP Cc1ccc(C(=O)CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000375393001 446768632 /nfs/dbraw/zinc/76/86/32/446768632.db2.gz SVBMITSLHJNXAY-UHFFFAOYSA-N 2 2 346.471 1.727 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000423934171 446785571 /nfs/dbraw/zinc/78/55/71/446785571.db2.gz YLIDJBHAPSTKGY-KBXCAEBGSA-N 2 2 332.448 1.517 20 0 EDADLP COCC[C@@](C)(O)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000368253376 446741231 /nfs/dbraw/zinc/74/12/31/446741231.db2.gz LPNXYKQZNPBVAN-MRXNPFEDSA-N 2 2 327.494 1.787 20 0 EDADLP CCCCOCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368381987 446825835 /nfs/dbraw/zinc/82/58/35/446825835.db2.gz BNUQURYEOCZPMM-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP CCCCOCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368381987 446825840 /nfs/dbraw/zinc/82/58/40/446825840.db2.gz BNUQURYEOCZPMM-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000424038843 446828053 /nfs/dbraw/zinc/82/80/53/446828053.db2.gz JCPXPGBYMVIIHB-MSOLQXFVSA-N 2 2 349.519 1.724 20 0 EDADLP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000424038843 446828058 /nfs/dbraw/zinc/82/80/58/446828058.db2.gz JCPXPGBYMVIIHB-MSOLQXFVSA-N 2 2 349.519 1.724 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000371454575 446866325 /nfs/dbraw/zinc/86/63/25/446866325.db2.gz AGSBOTKYKBLPQX-UHFFFAOYSA-N 2 2 347.507 1.514 20 0 EDADLP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)N[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC000424356010 446866818 /nfs/dbraw/zinc/86/68/18/446866818.db2.gz URFOYVULJMDVDQ-DIJZOYDOSA-N 2 2 332.448 1.533 20 0 EDADLP COc1cccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000371466342 446873671 /nfs/dbraw/zinc/87/36/71/446873671.db2.gz NONBWERRPCMGEJ-OAHLLOKOSA-N 2 2 331.460 1.936 20 0 EDADLP COc1cccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000371466342 446873678 /nfs/dbraw/zinc/87/36/78/446873678.db2.gz NONBWERRPCMGEJ-OAHLLOKOSA-N 2 2 331.460 1.936 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000454484767 446888965 /nfs/dbraw/zinc/88/89/65/446888965.db2.gz QVVKOXDUZOGKJE-UHFFFAOYSA-N 2 2 337.468 1.592 20 0 EDADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412199230 446895185 /nfs/dbraw/zinc/89/51/85/446895185.db2.gz GQXNXVMGAUWPSX-IBGZPJMESA-N 2 2 342.487 1.402 20 0 EDADLP CC(C)N1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000420939588 446912606 /nfs/dbraw/zinc/91/26/06/446912606.db2.gz NNXLLKFQWGGRBY-UHFFFAOYSA-N 2 2 331.460 1.571 20 0 EDADLP CC(C)N1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000420939588 446912612 /nfs/dbraw/zinc/91/26/12/446912612.db2.gz NNXLLKFQWGGRBY-UHFFFAOYSA-N 2 2 331.460 1.571 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)oc1C ZINC000368521192 446917895 /nfs/dbraw/zinc/91/78/95/446917895.db2.gz CGIXCCHVVOIJIV-WBVHZDCISA-N 2 2 349.475 1.870 20 0 EDADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420972996 446944090 /nfs/dbraw/zinc/94/40/90/446944090.db2.gz MSFIILYPTRXKGX-YLJYHZDGSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420972996 446944094 /nfs/dbraw/zinc/94/40/94/446944094.db2.gz MSFIILYPTRXKGX-YLJYHZDGSA-N 2 2 347.503 1.406 20 0 EDADLP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000419207830 447011469 /nfs/dbraw/zinc/01/14/69/447011469.db2.gz NFCLZTXLMIYVDT-AWEZNQCLSA-N 2 2 343.431 1.117 20 0 EDADLP CC[N@H+](CC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000442845976 446986636 /nfs/dbraw/zinc/98/66/36/446986636.db2.gz VPDQTVDWYQJCEH-GOSISDBHSA-N 2 2 339.480 1.393 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000442845976 446986645 /nfs/dbraw/zinc/98/66/45/446986645.db2.gz VPDQTVDWYQJCEH-GOSISDBHSA-N 2 2 339.480 1.393 20 0 EDADLP C[N@H+](C[C@@H](O)COCC(F)(F)F)C1CCN(c2cccc[nH+]2)CC1 ZINC000368641064 447000883 /nfs/dbraw/zinc/00/08/83/447000883.db2.gz GEKNPVAZODPKMV-CQSZACIVSA-N 2 2 347.381 1.922 20 0 EDADLP C[N@@H+](C[C@@H](O)COCC(F)(F)F)C1CCN(c2cccc[nH+]2)CC1 ZINC000368641064 447000886 /nfs/dbraw/zinc/00/08/86/447000886.db2.gz GEKNPVAZODPKMV-CQSZACIVSA-N 2 2 347.381 1.922 20 0 EDADLP C[NH+]1CCC2(CCCN2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000372433593 447059677 /nfs/dbraw/zinc/05/96/77/447059677.db2.gz LNPMKWVDMWHEOE-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+]1CCC2(CCCN2C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000372433593 447059682 /nfs/dbraw/zinc/05/96/82/447059682.db2.gz LNPMKWVDMWHEOE-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000425222486 447070026 /nfs/dbraw/zinc/07/00/26/447070026.db2.gz ANQWMNXKUIRFQH-QAPCUYQASA-N 2 2 342.487 1.738 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000425222486 447070034 /nfs/dbraw/zinc/07/00/34/447070034.db2.gz ANQWMNXKUIRFQH-QAPCUYQASA-N 2 2 342.487 1.738 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377267511 447028867 /nfs/dbraw/zinc/02/88/67/447028867.db2.gz PYCQLLGKBZVRMA-QGZVFWFLSA-N 2 2 333.476 1.770 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377267511 447028872 /nfs/dbraw/zinc/02/88/72/447028872.db2.gz PYCQLLGKBZVRMA-QGZVFWFLSA-N 2 2 333.476 1.770 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000377391589 447107299 /nfs/dbraw/zinc/10/72/99/447107299.db2.gz MHLXFACMUULROB-SJORKVTESA-N 2 2 334.464 1.117 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000377391589 447107306 /nfs/dbraw/zinc/10/73/06/447107306.db2.gz MHLXFACMUULROB-SJORKVTESA-N 2 2 334.464 1.117 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368795864 447112105 /nfs/dbraw/zinc/11/21/05/447112105.db2.gz SYVQHMPLWOKQHB-UHFFFAOYSA-N 2 2 333.461 1.908 20 0 EDADLP COCC[NH+](CCOC)C1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413287025 447117351 /nfs/dbraw/zinc/11/73/51/447117351.db2.gz AGGJQQPYACLEDL-UHFFFAOYSA-N 2 2 349.479 1.615 20 0 EDADLP COCC[NH+](CCOC)C1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413287025 447117361 /nfs/dbraw/zinc/11/73/61/447117361.db2.gz AGGJQQPYACLEDL-UHFFFAOYSA-N 2 2 349.479 1.615 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nn(C)c(C)c3Cl)C2)CC1 ZINC000421323127 447130394 /nfs/dbraw/zinc/13/03/94/447130394.db2.gz VNVYGNSHKXRPGR-AWEZNQCLSA-N 2 2 325.888 1.594 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nn(C)c(C)c3Cl)C2)CC1 ZINC000421323127 447130398 /nfs/dbraw/zinc/13/03/98/447130398.db2.gz VNVYGNSHKXRPGR-AWEZNQCLSA-N 2 2 325.888 1.594 20 0 EDADLP CN(C)c1[nH+]cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1C ZINC000425375785 447132490 /nfs/dbraw/zinc/13/24/90/447132490.db2.gz DJDYVBCZXYYQJF-SJPCQFCGSA-N 3 2 346.523 1.229 20 0 EDADLP CN(C)c1[nH+]cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1C ZINC000425375785 447132495 /nfs/dbraw/zinc/13/24/95/447132495.db2.gz DJDYVBCZXYYQJF-SJPCQFCGSA-N 3 2 346.523 1.229 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)cn2c1 ZINC000419432065 447171542 /nfs/dbraw/zinc/17/15/42/447171542.db2.gz XLYVSCBNANFXBA-HUUCEWRRSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)cn2c1 ZINC000419432065 447171549 /nfs/dbraw/zinc/17/15/49/447171549.db2.gz XLYVSCBNANFXBA-HUUCEWRRSA-N 2 2 345.447 1.239 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nc(C(F)F)no1 ZINC000425458836 447172836 /nfs/dbraw/zinc/17/28/36/447172836.db2.gz NXQHLEKTFKAQPQ-UHFFFAOYSA-N 2 2 331.411 1.857 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nc(C(F)F)no1 ZINC000425458836 447172843 /nfs/dbraw/zinc/17/28/43/447172843.db2.gz NXQHLEKTFKAQPQ-UHFFFAOYSA-N 2 2 331.411 1.857 20 0 EDADLP COCCCn1nccc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377627457 447254662 /nfs/dbraw/zinc/25/46/62/447254662.db2.gz NPLGZBMNDAFEFZ-QGZVFWFLSA-N 2 2 349.523 1.520 20 0 EDADLP COCCCn1nccc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377627457 447254669 /nfs/dbraw/zinc/25/46/69/447254669.db2.gz NPLGZBMNDAFEFZ-QGZVFWFLSA-N 2 2 349.523 1.520 20 0 EDADLP COCCCn1nccc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377627457 447254675 /nfs/dbraw/zinc/25/46/75/447254675.db2.gz NPLGZBMNDAFEFZ-QGZVFWFLSA-N 2 2 349.523 1.520 20 0 EDADLP COCCCn1nccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377627457 447254679 /nfs/dbraw/zinc/25/46/79/447254679.db2.gz NPLGZBMNDAFEFZ-QGZVFWFLSA-N 2 2 349.523 1.520 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377579368 447218662 /nfs/dbraw/zinc/21/86/62/447218662.db2.gz CSMMODYJWDUBBF-HOTGVXAUSA-N 2 2 343.431 1.039 20 0 EDADLP COc1cc(NCc2c[nH+]c(N(C)C)n2C)[nH+]cc1Br ZINC000414360394 447292365 /nfs/dbraw/zinc/29/23/65/447292365.db2.gz ADVDVKGMKXYWEN-UHFFFAOYSA-N 2 2 340.225 2.264 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1sccc1C[NH+](C)C ZINC000426771215 447501063 /nfs/dbraw/zinc/50/10/63/447501063.db2.gz ZUUGNGBNBORQCC-UKRRQHHQSA-N 2 2 337.489 1.745 20 0 EDADLP Cc1cc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000459010734 447537702 /nfs/dbraw/zinc/53/77/02/447537702.db2.gz MVFKOGQFLDRXPE-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP Cc1cc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000459010734 447537708 /nfs/dbraw/zinc/53/77/08/447537708.db2.gz MVFKOGQFLDRXPE-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000416298385 447559211 /nfs/dbraw/zinc/55/92/11/447559211.db2.gz QSHHYMQARZCUGS-YESZJQIVSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000416298385 447559217 /nfs/dbraw/zinc/55/92/17/447559217.db2.gz QSHHYMQARZCUGS-YESZJQIVSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000416298385 447559223 /nfs/dbraw/zinc/55/92/23/447559223.db2.gz QSHHYMQARZCUGS-YESZJQIVSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000416298385 447559228 /nfs/dbraw/zinc/55/92/28/447559228.db2.gz QSHHYMQARZCUGS-YESZJQIVSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416299474 447560078 /nfs/dbraw/zinc/56/00/78/447560078.db2.gz RYVMEBCPAAWMFF-CABCVRRESA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C[N@H+]1CCO ZINC000416299474 447560084 /nfs/dbraw/zinc/56/00/84/447560084.db2.gz RYVMEBCPAAWMFF-CABCVRRESA-N 2 2 328.416 1.399 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000459068912 447561019 /nfs/dbraw/zinc/56/10/19/447561019.db2.gz WSMZAGWVDUPDHO-KBPBESRZSA-N 2 2 337.468 1.451 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000459068912 447561021 /nfs/dbraw/zinc/56/10/21/447561021.db2.gz WSMZAGWVDUPDHO-KBPBESRZSA-N 2 2 337.468 1.451 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H]3CN(C)C(=O)O3)CCC[NH+]2C)cn1 ZINC000495733164 447565290 /nfs/dbraw/zinc/56/52/90/447565290.db2.gz ZGWSOXGLKDJDBX-CWRNSKLLSA-N 2 2 335.452 1.185 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H]3CN(C)C(=O)O3)CCC[NH+]2C)cn1 ZINC000495733164 447565293 /nfs/dbraw/zinc/56/52/93/447565293.db2.gz ZGWSOXGLKDJDBX-CWRNSKLLSA-N 2 2 335.452 1.185 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H]3CN(C)C(=O)O3)CCC[N@@H+]2C)cn1 ZINC000495733164 447565298 /nfs/dbraw/zinc/56/52/98/447565298.db2.gz ZGWSOXGLKDJDBX-CWRNSKLLSA-N 2 2 335.452 1.185 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H]3CN(C)C(=O)O3)CCC[N@H+]2C)cn1 ZINC000495733164 447565303 /nfs/dbraw/zinc/56/53/03/447565303.db2.gz ZGWSOXGLKDJDBX-CWRNSKLLSA-N 2 2 335.452 1.185 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@H]3CC[N@H+](C)C[C@H]3C)c[nH+]2)CC1 ZINC000495735988 447569236 /nfs/dbraw/zinc/56/92/36/447569236.db2.gz ZDYCEVKAGQQLAP-ZBFHGGJFSA-N 2 2 347.463 1.722 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@H]3CC[N@@H+](C)C[C@H]3C)c[nH+]2)CC1 ZINC000495735988 447569243 /nfs/dbraw/zinc/56/92/43/447569243.db2.gz ZDYCEVKAGQQLAP-ZBFHGGJFSA-N 2 2 347.463 1.722 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000400179193 447569473 /nfs/dbraw/zinc/56/94/73/447569473.db2.gz OIMUXKGCIIIRCH-HIFRSBDPSA-N 2 2 334.445 1.557 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)NCCCC[N@H+](C)C3CC3)CC2)cn1 ZINC000459158221 447599934 /nfs/dbraw/zinc/59/99/34/447599934.db2.gz MZJNYHBRQKJVOB-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)NCCCC[N@@H+](C)C3CC3)CC2)cn1 ZINC000459158221 447599941 /nfs/dbraw/zinc/59/99/41/447599941.db2.gz MZJNYHBRQKJVOB-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1cccs1 ZINC000416438476 447603087 /nfs/dbraw/zinc/60/30/87/447603087.db2.gz OPMXSGKQSDTXFQ-VXGBXAGGSA-N 2 2 346.447 1.895 20 0 EDADLP C[C@H]1CC[C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000459165433 447603778 /nfs/dbraw/zinc/60/37/78/447603778.db2.gz MDFRQGGCORTMMX-HOCLYGCPSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1CC[C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000459165433 447603782 /nfs/dbraw/zinc/60/37/82/447603782.db2.gz MDFRQGGCORTMMX-HOCLYGCPSA-N 2 2 326.485 1.221 20 0 EDADLP COCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCCC1 ZINC000457686764 447619435 /nfs/dbraw/zinc/61/94/35/447619435.db2.gz FDNSJDRJOZQDPH-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP COCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCCC1 ZINC000457686764 447619440 /nfs/dbraw/zinc/61/94/40/447619440.db2.gz FDNSJDRJOZQDPH-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420138119 447628664 /nfs/dbraw/zinc/62/86/64/447628664.db2.gz XFSKWLZANVJTFQ-ZNMIVQPWSA-N 2 2 347.463 1.213 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496062789 447700695 /nfs/dbraw/zinc/70/06/95/447700695.db2.gz FSSDPOPEAQDEGY-ZNMIVQPWSA-N 2 2 329.485 1.534 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496062789 447700699 /nfs/dbraw/zinc/70/06/99/447700699.db2.gz FSSDPOPEAQDEGY-ZNMIVQPWSA-N 2 2 329.485 1.534 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496062789 447700701 /nfs/dbraw/zinc/70/07/01/447700701.db2.gz FSSDPOPEAQDEGY-ZNMIVQPWSA-N 2 2 329.485 1.534 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496062789 447700704 /nfs/dbraw/zinc/70/07/04/447700704.db2.gz FSSDPOPEAQDEGY-ZNMIVQPWSA-N 2 2 329.485 1.534 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](F)C3)CC2)cc1 ZINC000451201794 447702630 /nfs/dbraw/zinc/70/26/30/447702630.db2.gz VOSATMARWZAZDT-QGZVFWFLSA-N 2 2 349.450 1.773 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](F)C3)CC2)cc1 ZINC000451201794 447702633 /nfs/dbraw/zinc/70/26/33/447702633.db2.gz VOSATMARWZAZDT-QGZVFWFLSA-N 2 2 349.450 1.773 20 0 EDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC000451201794 447702637 /nfs/dbraw/zinc/70/26/37/447702637.db2.gz VOSATMARWZAZDT-QGZVFWFLSA-N 2 2 349.450 1.773 20 0 EDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC000451201794 447702639 /nfs/dbraw/zinc/70/26/39/447702639.db2.gz VOSATMARWZAZDT-QGZVFWFLSA-N 2 2 349.450 1.773 20 0 EDADLP CCC[NH2+]CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416890714 447702788 /nfs/dbraw/zinc/70/27/88/447702788.db2.gz MBCLBYIJGIXQSC-QGZVFWFLSA-N 2 2 334.464 1.359 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416905467 447704312 /nfs/dbraw/zinc/70/43/12/447704312.db2.gz JLCBYSDZQJVHDK-HNNXBMFYSA-N 2 2 331.420 1.427 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1F ZINC000416908408 447705390 /nfs/dbraw/zinc/70/53/90/447705390.db2.gz JNVCQPMVMGPACB-CABCVRRESA-N 2 2 331.395 1.685 20 0 EDADLP CC(=O)NCCC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451020898 447653407 /nfs/dbraw/zinc/65/34/07/447653407.db2.gz NMBLPUVXRYPMIV-MRXNPFEDSA-N 2 2 332.448 1.661 20 0 EDADLP CC(=O)NCCC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451020898 447653412 /nfs/dbraw/zinc/65/34/12/447653412.db2.gz NMBLPUVXRYPMIV-MRXNPFEDSA-N 2 2 332.448 1.661 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422632988 447680545 /nfs/dbraw/zinc/68/05/45/447680545.db2.gz HPNUEZIGUGPJAM-IPYPFGDCSA-N 2 2 333.432 1.717 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422632988 447680548 /nfs/dbraw/zinc/68/05/48/447680548.db2.gz HPNUEZIGUGPJAM-IPYPFGDCSA-N 2 2 333.432 1.717 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000422636942 447682692 /nfs/dbraw/zinc/68/26/92/447682692.db2.gz NVVBLDPZHBTFGL-HZSPNIEDSA-N 2 2 333.432 1.702 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000422636942 447682698 /nfs/dbraw/zinc/68/26/98/447682698.db2.gz NVVBLDPZHBTFGL-HZSPNIEDSA-N 2 2 333.432 1.702 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000422715009 447724965 /nfs/dbraw/zinc/72/49/65/447724965.db2.gz LOXWUEKNZCUURV-GFCCVEGCSA-N 2 2 331.507 1.273 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000417272975 447740382 /nfs/dbraw/zinc/74/03/82/447740382.db2.gz VZSHWXHQOQRXNL-SWLSCSKDSA-N 2 2 331.395 1.951 20 0 EDADLP C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000422767157 447744582 /nfs/dbraw/zinc/74/45/82/447744582.db2.gz YETLPOZMIGUEIM-WBVHZDCISA-N 2 2 326.444 1.978 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000422840759 447765743 /nfs/dbraw/zinc/76/57/43/447765743.db2.gz CAWAYPVOKHJTTM-GVDBMIGSSA-N 2 2 325.497 1.626 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000132894536 533710996 /nfs/dbraw/zinc/71/09/96/533710996.db2.gz XDZKUUOWTCNOCT-JKSUJKDBSA-N 2 2 346.475 1.595 20 0 EDADLP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422849175 447769056 /nfs/dbraw/zinc/76/90/56/447769056.db2.gz UTUHVEHDMMYAMT-IEBWSBKVSA-N 3 2 331.508 1.714 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430591566 447781733 /nfs/dbraw/zinc/78/17/33/447781733.db2.gz OISIEJGPPUXCTJ-KBPBESRZSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430591566 447781737 /nfs/dbraw/zinc/78/17/37/447781737.db2.gz OISIEJGPPUXCTJ-KBPBESRZSA-N 2 2 333.432 1.846 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431016127 447789152 /nfs/dbraw/zinc/78/91/52/447789152.db2.gz SWLSEURVVGGOKB-UHFFFAOYSA-N 2 2 348.422 2.399 20 0 EDADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000430971265 447789189 /nfs/dbraw/zinc/78/91/89/447789189.db2.gz MNKJEMUDWZBVOR-GDBMZVCRSA-N 2 2 347.459 1.357 20 0 EDADLP c1cc(N2CCC(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc[nH+]1 ZINC000422998703 447789360 /nfs/dbraw/zinc/78/93/60/447789360.db2.gz WVGLHQBMVDHPFA-RTBURBONSA-N 3 2 330.476 1.655 20 0 EDADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H]3CCO[C@H]3c3ccnn3C)CC2)CCO1 ZINC000484170310 447825219 /nfs/dbraw/zinc/82/52/19/447825219.db2.gz PNQMKKOXVBFCKJ-TXPKVOOTSA-N 2 2 348.491 1.683 20 0 EDADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H]3CCO[C@H]3c3ccnn3C)CC2)CCO1 ZINC000484170310 447825221 /nfs/dbraw/zinc/82/52/21/447825221.db2.gz PNQMKKOXVBFCKJ-TXPKVOOTSA-N 2 2 348.491 1.683 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CCOCC3(CCC3)C1)C[NH+]1CCC2CC1 ZINC000496579596 447825716 /nfs/dbraw/zinc/82/57/16/447825716.db2.gz CRIMRLCNURLIJW-SFHVURJKSA-N 2 2 335.448 1.363 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CCOCC3(CCC3)C1)C[NH+]1CCC2CC1 ZINC000496579596 447825718 /nfs/dbraw/zinc/82/57/18/447825718.db2.gz CRIMRLCNURLIJW-SFHVURJKSA-N 2 2 335.448 1.363 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)ccc2n1C ZINC000530349409 447865779 /nfs/dbraw/zinc/86/57/79/447865779.db2.gz DTZHVZBFSPDNCJ-UHFFFAOYSA-N 2 2 341.415 1.127 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000569891200 447909194 /nfs/dbraw/zinc/90/91/94/447909194.db2.gz YFDFEHFMUVDLLO-HOCLYGCPSA-N 2 2 341.446 1.956 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000569891200 447909201 /nfs/dbraw/zinc/90/92/01/447909201.db2.gz YFDFEHFMUVDLLO-HOCLYGCPSA-N 2 2 341.446 1.956 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000570058970 447940934 /nfs/dbraw/zinc/94/09/34/447940934.db2.gz DOLZNDSHEFXEQB-UHFFFAOYSA-N 2 2 343.431 1.636 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000570058970 447940941 /nfs/dbraw/zinc/94/09/41/447940941.db2.gz DOLZNDSHEFXEQB-UHFFFAOYSA-N 2 2 343.431 1.636 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000552905282 447964164 /nfs/dbraw/zinc/96/41/64/447964164.db2.gz WMUKANAOHLDAQD-OFQRWUPVSA-N 2 2 348.491 1.758 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000530814725 447964390 /nfs/dbraw/zinc/96/43/90/447964390.db2.gz QSKVFDAKFNWQMW-UHFFFAOYSA-N 2 2 330.436 1.464 20 0 EDADLP C[C@@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C[NH+]1CCCCC1 ZINC000524320591 447925353 /nfs/dbraw/zinc/92/53/53/447925353.db2.gz MMQPLWJGCFUBPN-INIZCTEOSA-N 2 2 348.495 1.359 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000530645875 447933194 /nfs/dbraw/zinc/93/31/94/447933194.db2.gz KONDYVYRQANBQZ-QGZVFWFLSA-N 2 2 345.491 1.329 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000570292066 447980761 /nfs/dbraw/zinc/98/07/61/447980761.db2.gz PRJUPZZCGOZGQN-WOSRLPQWSA-N 2 2 328.478 1.279 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000570292066 447980767 /nfs/dbraw/zinc/98/07/67/447980767.db2.gz PRJUPZZCGOZGQN-WOSRLPQWSA-N 2 2 328.478 1.279 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000570382515 447997907 /nfs/dbraw/zinc/99/79/07/447997907.db2.gz NECKKYNUPVDVLA-GFCCVEGCSA-N 2 2 326.828 1.003 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000570382515 447997914 /nfs/dbraw/zinc/99/79/14/447997914.db2.gz NECKKYNUPVDVLA-GFCCVEGCSA-N 2 2 326.828 1.003 20 0 EDADLP C[C@@H](C[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000496849247 447966798 /nfs/dbraw/zinc/96/67/98/447966798.db2.gz SNURSJVXTAXQDI-YOEHRIQHSA-N 2 2 329.485 1.678 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000525096696 447967290 /nfs/dbraw/zinc/96/72/90/447967290.db2.gz IQJIXWZVZIVKKP-UHFFFAOYSA-N 2 2 325.376 1.377 20 0 EDADLP CCNc1nc(N2CCC([NH2+]C(C)C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553047777 447969955 /nfs/dbraw/zinc/96/99/55/447969955.db2.gz RJEWLYBQKIVDOX-UHFFFAOYSA-N 2 2 335.500 1.903 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC([NH2+]C(C)C)CC2)[nH+]1 ZINC000553047777 447969963 /nfs/dbraw/zinc/96/99/63/447969963.db2.gz RJEWLYBQKIVDOX-UHFFFAOYSA-N 2 2 335.500 1.903 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC([NH2+]C(C)C)CC2)n1 ZINC000553047777 447969969 /nfs/dbraw/zinc/96/99/69/447969969.db2.gz RJEWLYBQKIVDOX-UHFFFAOYSA-N 2 2 335.500 1.903 20 0 EDADLP COC(=O)N1CCC[C@@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)C1 ZINC000491519975 448053110 /nfs/dbraw/zinc/05/31/10/448053110.db2.gz WWNASMXHYIJKMT-GFCCVEGCSA-N 2 2 329.360 1.684 20 0 EDADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000570725505 448054948 /nfs/dbraw/zinc/05/49/48/448054948.db2.gz UGXIGCXXMNDVGP-FUHWJXTLSA-N 2 2 330.476 1.313 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(-c3ccoc3)n[nH]2)CC1 ZINC000531370257 448071635 /nfs/dbraw/zinc/07/16/35/448071635.db2.gz CMYBMSMALZLLIR-UHFFFAOYSA-N 2 2 331.420 1.426 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000570911129 448083875 /nfs/dbraw/zinc/08/38/75/448083875.db2.gz JILMJBXOWOIJDP-HOTGVXAUSA-N 3 2 337.512 1.068 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000531492168 448093028 /nfs/dbraw/zinc/09/30/28/448093028.db2.gz FATGJZCMTNRZGP-HNNXBMFYSA-N 2 2 331.420 1.563 20 0 EDADLP FC(F)(F)c1ccc([C@@H]2C[N@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000571047403 448098994 /nfs/dbraw/zinc/09/89/94/448098994.db2.gz WQZVTXXSEATDPL-INIZCTEOSA-N 2 2 343.393 1.984 20 0 EDADLP FC(F)(F)c1ccc([C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000571047403 448098999 /nfs/dbraw/zinc/09/89/99/448098999.db2.gz WQZVTXXSEATDPL-INIZCTEOSA-N 2 2 343.393 1.984 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000576834623 448151504 /nfs/dbraw/zinc/15/15/04/448151504.db2.gz MVAXNVCPIAHPJW-GOSISDBHSA-N 2 2 329.448 1.544 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000576834623 448151509 /nfs/dbraw/zinc/15/15/09/448151509.db2.gz MVAXNVCPIAHPJW-GOSISDBHSA-N 2 2 329.448 1.544 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000576834623 448151514 /nfs/dbraw/zinc/15/15/14/448151514.db2.gz MVAXNVCPIAHPJW-GOSISDBHSA-N 2 2 329.448 1.544 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000576834623 448151517 /nfs/dbraw/zinc/15/15/17/448151517.db2.gz MVAXNVCPIAHPJW-GOSISDBHSA-N 2 2 329.448 1.544 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cncc(O)c3)CC2)CC1 ZINC000514679470 448186903 /nfs/dbraw/zinc/18/69/03/448186903.db2.gz NFJITYDFBJQEOW-UHFFFAOYSA-N 2 2 332.448 1.005 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000527236061 448189694 /nfs/dbraw/zinc/18/96/94/448189694.db2.gz DQIKKUOVNWUZBQ-UHFFFAOYSA-N 3 2 328.420 1.138 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000527231012 448190572 /nfs/dbraw/zinc/19/05/72/448190572.db2.gz NMDKKOXLOGTVRK-UHFFFAOYSA-N 2 2 341.459 1.291 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000492263910 448200790 /nfs/dbraw/zinc/20/07/90/448200790.db2.gz UNEYTDCADWGUMB-QWPQOLDESA-N 2 2 345.491 1.545 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000492263910 448200791 /nfs/dbraw/zinc/20/07/91/448200791.db2.gz UNEYTDCADWGUMB-QWPQOLDESA-N 2 2 345.491 1.545 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N3CCC[NH2+]CC3)c[nH+]2)C[C@H](C)O1 ZINC000514923496 448225123 /nfs/dbraw/zinc/22/51/23/448225123.db2.gz CBGCRDXLMVJCFT-GJZGRUSLSA-N 2 2 347.463 1.200 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000515068158 448256000 /nfs/dbraw/zinc/25/60/00/448256000.db2.gz BLNJLYFJCJUXEC-SFHVURJKSA-N 2 2 336.476 1.814 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000515068158 448256004 /nfs/dbraw/zinc/25/60/04/448256004.db2.gz BLNJLYFJCJUXEC-SFHVURJKSA-N 2 2 336.476 1.814 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[NH+]2CCOCC2)c1 ZINC000591097378 448260623 /nfs/dbraw/zinc/26/06/23/448260623.db2.gz PQGXYSRCVITHJE-MSOLQXFVSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[NH+]2CCOCC2)c1 ZINC000591097378 448260633 /nfs/dbraw/zinc/26/06/33/448260633.db2.gz PQGXYSRCVITHJE-MSOLQXFVSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1ccccc1-n1nccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577482488 448308955 /nfs/dbraw/zinc/30/89/55/448308955.db2.gz DCAARIFJBMYRGX-CQSZACIVSA-N 2 2 328.420 1.287 20 0 EDADLP Cc1ccccc1-n1nccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577482488 448308963 /nfs/dbraw/zinc/30/89/63/448308963.db2.gz DCAARIFJBMYRGX-CQSZACIVSA-N 2 2 328.420 1.287 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(COC2CCOCC2)cc1)C1CC1 ZINC000582720874 448319920 /nfs/dbraw/zinc/31/99/20/448319920.db2.gz KTMIIHFIVIETGP-LJQANCHMSA-N 2 2 348.487 1.927 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(COC2CCOCC2)cc1)C1CC1 ZINC000582720874 448319927 /nfs/dbraw/zinc/31/99/27/448319927.db2.gz KTMIIHFIVIETGP-LJQANCHMSA-N 2 2 348.487 1.927 20 0 EDADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)S(C)(=O)=O ZINC000582601914 448286341 /nfs/dbraw/zinc/28/63/41/448286341.db2.gz WWVHEVPEZIOUBA-ZIAGYGMSSA-N 2 2 330.519 1.983 20 0 EDADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)S(C)(=O)=O ZINC000582601914 448286348 /nfs/dbraw/zinc/28/63/48/448286348.db2.gz WWVHEVPEZIOUBA-ZIAGYGMSSA-N 2 2 330.519 1.983 20 0 EDADLP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000582796903 448343082 /nfs/dbraw/zinc/34/30/82/448343082.db2.gz CSQVGRFYAYBQPY-UHFFFAOYSA-N 2 2 329.404 1.196 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000591426251 448360445 /nfs/dbraw/zinc/36/04/45/448360445.db2.gz XHRPLDBKDWOPPK-MSOLQXFVSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000591426251 448360449 /nfs/dbraw/zinc/36/04/49/448360449.db2.gz XHRPLDBKDWOPPK-MSOLQXFVSA-N 2 2 331.460 1.436 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCSc3c(F)cccc32)[C@@H](C[NH3+])C1 ZINC000577712008 448364675 /nfs/dbraw/zinc/36/46/75/448364675.db2.gz SOUMGYMRLWRYQL-SMDDNHRTSA-N 2 2 338.452 1.647 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@H](O)Cc2ccccc2)C1=O ZINC000577723164 448368240 /nfs/dbraw/zinc/36/82/40/448368240.db2.gz ILXPSILXXIVOQL-IAGOWNOFSA-N 2 2 342.443 1.104 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000527951338 448396510 /nfs/dbraw/zinc/39/65/10/448396510.db2.gz KJKDDXJWIWATNS-DZGCQCFKSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000527951338 448396517 /nfs/dbraw/zinc/39/65/17/448396517.db2.gz KJKDDXJWIWATNS-DZGCQCFKSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000527951338 448396524 /nfs/dbraw/zinc/39/65/24/448396524.db2.gz KJKDDXJWIWATNS-DZGCQCFKSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000527951338 448396527 /nfs/dbraw/zinc/39/65/27/448396527.db2.gz KJKDDXJWIWATNS-DZGCQCFKSA-N 2 2 331.464 1.973 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000527984716 448405042 /nfs/dbraw/zinc/40/50/42/448405042.db2.gz XAKGFYQSZUUIMA-AWEZNQCLSA-N 2 2 329.404 1.128 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc4n3CCCC4)C2)CC1 ZINC000572452679 448379323 /nfs/dbraw/zinc/37/93/23/448379323.db2.gz BIRIGHURFORZHJ-INIZCTEOSA-N 2 2 332.496 1.215 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc4n3CCCC4)C2)CC1 ZINC000572452679 448379331 /nfs/dbraw/zinc/37/93/31/448379331.db2.gz BIRIGHURFORZHJ-INIZCTEOSA-N 2 2 332.496 1.215 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000533918738 448430091 /nfs/dbraw/zinc/43/00/91/448430091.db2.gz LUDMLRUBJSPPAE-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000533918738 448430097 /nfs/dbraw/zinc/43/00/97/448430097.db2.gz LUDMLRUBJSPPAE-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000533918738 448430100 /nfs/dbraw/zinc/43/01/00/448430100.db2.gz LUDMLRUBJSPPAE-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000533918738 448430105 /nfs/dbraw/zinc/43/01/05/448430105.db2.gz LUDMLRUBJSPPAE-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000578035678 448447609 /nfs/dbraw/zinc/44/76/09/448447609.db2.gz NNZGQWIEZKHQHY-ZDUSSCGKSA-N 2 2 344.463 1.591 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cscn1 ZINC000578130173 448468504 /nfs/dbraw/zinc/46/85/04/448468504.db2.gz VIWLYFUNIMSUPQ-NVXWUHKLSA-N 2 2 344.484 1.824 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cscn1 ZINC000578130173 448468507 /nfs/dbraw/zinc/46/85/07/448468507.db2.gz VIWLYFUNIMSUPQ-NVXWUHKLSA-N 2 2 344.484 1.824 20 0 EDADLP COC(=O)CCCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000591728254 448474243 /nfs/dbraw/zinc/47/42/43/448474243.db2.gz FEWGFCRJPPQMEY-HNNXBMFYSA-N 2 2 333.432 1.947 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000516915695 448495004 /nfs/dbraw/zinc/49/50/04/448495004.db2.gz ADMJKOONFIWVCS-MRXNPFEDSA-N 2 2 336.399 1.585 20 0 EDADLP O=C1[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528390071 448508875 /nfs/dbraw/zinc/50/88/75/448508875.db2.gz NPGOVZYVIOLLNH-FUHWJXTLSA-N 2 2 335.492 1.574 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000566569223 448510020 /nfs/dbraw/zinc/51/00/20/448510020.db2.gz LWGUQYAULLTHLK-KRWDZBQOSA-N 2 2 340.439 1.360 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000566569223 448510027 /nfs/dbraw/zinc/51/00/27/448510027.db2.gz LWGUQYAULLTHLK-KRWDZBQOSA-N 2 2 340.439 1.360 20 0 EDADLP C[C@H]1C[N@H+](Cc2cc(CO)ccc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000528434252 448527737 /nfs/dbraw/zinc/52/77/37/448527737.db2.gz WMWIPXRKADFPRB-HNAYVOBHSA-N 2 2 335.467 1.776 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cc(CO)ccc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000528434252 448527740 /nfs/dbraw/zinc/52/77/40/448527740.db2.gz WMWIPXRKADFPRB-HNAYVOBHSA-N 2 2 335.467 1.776 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOc2ccc(Cl)cn2)C[C@H](C)O1 ZINC000517230937 448557564 /nfs/dbraw/zinc/55/75/64/448557564.db2.gz LJRUCSZFNWVOFF-VNHYZAJKSA-N 2 2 343.855 1.174 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOc2ccc(Cl)cn2)C[C@H](C)O1 ZINC000517230937 448557569 /nfs/dbraw/zinc/55/75/69/448557569.db2.gz LJRUCSZFNWVOFF-VNHYZAJKSA-N 2 2 343.855 1.174 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000578540126 448575262 /nfs/dbraw/zinc/57/52/62/448575262.db2.gz WKMMVCRDXVMCIQ-HNNXBMFYSA-N 2 2 328.420 1.932 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000578540126 448575268 /nfs/dbraw/zinc/57/52/68/448575268.db2.gz WKMMVCRDXVMCIQ-HNNXBMFYSA-N 2 2 328.420 1.932 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cc1 ZINC000584468413 448537703 /nfs/dbraw/zinc/53/77/03/448537703.db2.gz PEOBGTZYCKGHGM-NSHDSACASA-N 2 2 331.420 1.816 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000578425123 448541397 /nfs/dbraw/zinc/54/13/97/448541397.db2.gz KLTHTHSNGQRNRI-NXHRZFHOSA-N 2 2 346.475 1.266 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000578425123 448541402 /nfs/dbraw/zinc/54/14/02/448541402.db2.gz KLTHTHSNGQRNRI-NXHRZFHOSA-N 2 2 346.475 1.266 20 0 EDADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000536850110 448544760 /nfs/dbraw/zinc/54/47/60/448544760.db2.gz FLQLWJGYINOPDL-HYVNUMGLSA-N 2 2 344.521 1.433 20 0 EDADLP [NH3+]CC12CCC(CC1)CN2C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000517165856 448547002 /nfs/dbraw/zinc/54/70/02/448547002.db2.gz IFWVCVSRCNBAIV-UHFFFAOYSA-N 2 2 343.471 1.862 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H](C)O1 ZINC000539785052 448620012 /nfs/dbraw/zinc/62/00/12/448620012.db2.gz SAVAINZBMWPLNM-IYBDPMFKSA-N 2 2 348.491 1.768 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H](C)O1 ZINC000539785052 448620016 /nfs/dbraw/zinc/62/00/16/448620016.db2.gz SAVAINZBMWPLNM-IYBDPMFKSA-N 2 2 348.491 1.768 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCO1 ZINC000566917494 448585274 /nfs/dbraw/zinc/58/52/74/448585274.db2.gz OEKWRZODJAPXRJ-OAHLLOKOSA-N 2 2 344.459 1.441 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCO1 ZINC000566917494 448585280 /nfs/dbraw/zinc/58/52/80/448585280.db2.gz OEKWRZODJAPXRJ-OAHLLOKOSA-N 2 2 344.459 1.441 20 0 EDADLP CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000584634401 448587220 /nfs/dbraw/zinc/58/72/20/448587220.db2.gz HYRAJICNMZAOMH-NSHDSACASA-N 2 2 326.447 1.057 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000538587702 448589847 /nfs/dbraw/zinc/58/98/47/448589847.db2.gz VNGDKRCXJBPDIM-UHOSZYNNSA-N 3 2 346.519 1.348 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000538587702 448589852 /nfs/dbraw/zinc/58/98/52/448589852.db2.gz VNGDKRCXJBPDIM-UHOSZYNNSA-N 3 2 346.519 1.348 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000567222366 448641574 /nfs/dbraw/zinc/64/15/74/448641574.db2.gz NANVBCUCBJUNGV-KRWDZBQOSA-N 2 2 346.475 1.283 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000567222366 448641580 /nfs/dbraw/zinc/64/15/80/448641580.db2.gz NANVBCUCBJUNGV-KRWDZBQOSA-N 2 2 346.475 1.283 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)cc12 ZINC000528728373 448648610 /nfs/dbraw/zinc/64/86/10/448648610.db2.gz NIOZGXXZTDLRPB-UHFFFAOYSA-N 2 2 343.475 1.963 20 0 EDADLP CCOC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000528733558 448650554 /nfs/dbraw/zinc/65/05/54/448650554.db2.gz WJFVIXBILXNGDD-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP CCOC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000528733558 448650559 /nfs/dbraw/zinc/65/05/59/448650559.db2.gz WJFVIXBILXNGDD-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1)C1CC1 ZINC000528761396 448666355 /nfs/dbraw/zinc/66/63/55/448666355.db2.gz DOZCFKPDJDGEKY-INIZCTEOSA-N 2 2 328.460 1.745 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1)C1CC1 ZINC000528761396 448666358 /nfs/dbraw/zinc/66/63/58/448666358.db2.gz DOZCFKPDJDGEKY-INIZCTEOSA-N 2 2 328.460 1.745 20 0 EDADLP C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000528769275 448667187 /nfs/dbraw/zinc/66/71/87/448667187.db2.gz XBRUVIZDXUEKLO-DNCCFGNJSA-N 2 2 346.475 1.520 20 0 EDADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000578905466 448667359 /nfs/dbraw/zinc/66/73/59/448667359.db2.gz COIPLDBOUCGYNG-GXTWGEPZSA-N 2 2 338.249 1.501 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000518393322 448672382 /nfs/dbraw/zinc/67/23/82/448672382.db2.gz CQCHOGIXLKLKSW-ZWKOTPCHSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000518393322 448672386 /nfs/dbraw/zinc/67/23/86/448672386.db2.gz CQCHOGIXLKLKSW-ZWKOTPCHSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000518393322 448672389 /nfs/dbraw/zinc/67/23/89/448672389.db2.gz CQCHOGIXLKLKSW-ZWKOTPCHSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000518393322 448672395 /nfs/dbraw/zinc/67/23/95/448672395.db2.gz CQCHOGIXLKLKSW-ZWKOTPCHSA-N 2 2 336.476 1.641 20 0 EDADLP C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000578943163 448673437 /nfs/dbraw/zinc/67/34/37/448673437.db2.gz WRIODYMIXYBCFM-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2OC)CC[N@@H+]1CCOC ZINC000578991451 448687873 /nfs/dbraw/zinc/68/78/73/448687873.db2.gz CDXWMTQAVFVFRV-CRAIPNDOSA-N 2 2 349.475 1.654 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2OC)CC[N@H+]1CCOC ZINC000578991451 448687879 /nfs/dbraw/zinc/68/78/79/448687879.db2.gz CDXWMTQAVFVFRV-CRAIPNDOSA-N 2 2 349.475 1.654 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N[C@H]1CCn2cc[nH+]c2C1 ZINC000567454999 448697188 /nfs/dbraw/zinc/69/71/88/448697188.db2.gz KXNDUWROBBODIL-GOEBONIOSA-N 2 2 325.416 1.384 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000567684164 448737292 /nfs/dbraw/zinc/73/72/92/448737292.db2.gz CUPGHAIPZVCJAD-YOEHRIQHSA-N 2 2 342.443 2.564 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000567684164 448737296 /nfs/dbraw/zinc/73/72/96/448737296.db2.gz CUPGHAIPZVCJAD-YOEHRIQHSA-N 2 2 342.443 2.564 20 0 EDADLP CC[N@H+](CCSC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000592205240 448742650 /nfs/dbraw/zinc/74/26/50/448742650.db2.gz XUYBNNGDNSOYKJ-OAHLLOKOSA-N 2 2 336.505 1.804 20 0 EDADLP CC[N@@H+](CCSC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000592205240 448742656 /nfs/dbraw/zinc/74/26/56/448742656.db2.gz XUYBNNGDNSOYKJ-OAHLLOKOSA-N 2 2 336.505 1.804 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000519634363 448806824 /nfs/dbraw/zinc/80/68/24/448806824.db2.gz NVYHCJMWDFGCMB-KFWWJZLASA-N 2 2 337.489 1.850 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000519634363 448806829 /nfs/dbraw/zinc/80/68/29/448806829.db2.gz NVYHCJMWDFGCMB-KFWWJZLASA-N 2 2 337.489 1.850 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529285484 448807328 /nfs/dbraw/zinc/80/73/28/448807328.db2.gz PVRJKMMDTOAGGQ-HNNXBMFYSA-N 2 2 345.447 1.002 20 0 EDADLP CNC(=O)c1ccc(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1 ZINC000579430663 448788230 /nfs/dbraw/zinc/78/82/30/448788230.db2.gz REDAZHBUSYLRIS-HNNXBMFYSA-N 2 2 331.460 1.731 20 0 EDADLP CCc1cccc2c1OCC[C@@H]2NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579452369 448795808 /nfs/dbraw/zinc/79/58/08/448795808.db2.gz XKEFAKLMEWJKAQ-ZBFHGGJFSA-N 2 2 332.448 1.357 20 0 EDADLP CCc1cccc2c1OCC[C@@H]2NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579452369 448795813 /nfs/dbraw/zinc/79/58/13/448795813.db2.gz XKEFAKLMEWJKAQ-ZBFHGGJFSA-N 2 2 332.448 1.357 20 0 EDADLP Cc1cccn2cc(CC(=O)Nc3cnn(CC[NH+](C)C)c3)[nH+]c12 ZINC000586756897 448799695 /nfs/dbraw/zinc/79/96/95/448799695.db2.gz WPEDHMKPIVZHBX-UHFFFAOYSA-N 2 2 326.404 1.582 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCn2ccccc2=O)CC1 ZINC000586843458 448822661 /nfs/dbraw/zinc/82/26/61/448822661.db2.gz DTWDTSYWLVXWOI-HDICACEKSA-N 2 2 332.492 1.339 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCn2ccccc2=O)CC1 ZINC000586843458 448822667 /nfs/dbraw/zinc/82/26/67/448822667.db2.gz DTWDTSYWLVXWOI-HDICACEKSA-N 2 2 332.492 1.339 20 0 EDADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000519733383 448829138 /nfs/dbraw/zinc/82/91/38/448829138.db2.gz YDZFYDQSVANYRM-UZLBHIALSA-N 2 2 345.487 1.895 20 0 EDADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000519733383 448829143 /nfs/dbraw/zinc/82/91/43/448829143.db2.gz YDZFYDQSVANYRM-UZLBHIALSA-N 2 2 345.487 1.895 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000529368811 448843794 /nfs/dbraw/zinc/84/37/94/448843794.db2.gz VQQFHYCOGSTWBV-HNNXBMFYSA-N 2 2 349.504 1.645 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000529368811 448843800 /nfs/dbraw/zinc/84/38/00/448843800.db2.gz VQQFHYCOGSTWBV-HNNXBMFYSA-N 2 2 349.504 1.645 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592471321 448851060 /nfs/dbraw/zinc/85/10/60/448851060.db2.gz UUNGDJNKTMDHLL-UHFFFAOYSA-N 2 2 345.443 1.937 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592471321 448851071 /nfs/dbraw/zinc/85/10/71/448851071.db2.gz UUNGDJNKTMDHLL-UHFFFAOYSA-N 2 2 345.443 1.937 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC(F)(F)C[NH3+])CC2)c1 ZINC000579727003 448865378 /nfs/dbraw/zinc/86/53/78/448865378.db2.gz JBCUJVZETXXZSZ-CYBMUJFWSA-N 2 2 341.402 1.885 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000579729276 448867400 /nfs/dbraw/zinc/86/74/00/448867400.db2.gz KPCAOIQIAVNPCW-OAHLLOKOSA-N 2 2 334.464 1.740 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000579729276 448867406 /nfs/dbraw/zinc/86/74/06/448867406.db2.gz KPCAOIQIAVNPCW-OAHLLOKOSA-N 2 2 334.464 1.740 20 0 EDADLP Cc1c(C[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000579794307 448876550 /nfs/dbraw/zinc/87/65/50/448876550.db2.gz HCKGNKXFDSSFJS-SFHVURJKSA-N 2 2 343.475 1.579 20 0 EDADLP Cc1c(C[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000579794307 448876556 /nfs/dbraw/zinc/87/65/56/448876556.db2.gz HCKGNKXFDSSFJS-SFHVURJKSA-N 2 2 343.475 1.579 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1c[nH+]cn1C ZINC000529717846 448935529 /nfs/dbraw/zinc/93/55/29/448935529.db2.gz PUEIIPBZGSRTLS-WBVHZDCISA-N 2 2 333.480 1.546 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1c[nH+]cn1C ZINC000529717846 448935532 /nfs/dbraw/zinc/93/55/32/448935532.db2.gz PUEIIPBZGSRTLS-WBVHZDCISA-N 2 2 333.480 1.546 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000520833113 448935638 /nfs/dbraw/zinc/93/56/38/448935638.db2.gz KXCVHEFIBPVHPO-IEBWSBKVSA-N 3 2 344.503 1.451 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000520833113 448935641 /nfs/dbraw/zinc/93/56/41/448935641.db2.gz KXCVHEFIBPVHPO-IEBWSBKVSA-N 3 2 344.503 1.451 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000574644084 448923658 /nfs/dbraw/zinc/92/36/58/448923658.db2.gz LGTFQFPDPPDFQD-DLBZAZTESA-N 2 2 346.475 1.325 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNc2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000581112614 448965920 /nfs/dbraw/zinc/96/59/20/448965920.db2.gz CGPXILZUGJBDKZ-HNNXBMFYSA-N 2 2 343.475 2.201 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(Br)ccc2F)[C@@H](C[NH3+])C1 ZINC000569200279 448976520 /nfs/dbraw/zinc/97/65/20/448976520.db2.gz SJOHFNWWRLBGCJ-JTQLQIEISA-N 2 2 345.216 1.695 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(Br)ccc2F)[C@@H](C[NH3+])C1 ZINC000569200279 448976524 /nfs/dbraw/zinc/97/65/24/448976524.db2.gz SJOHFNWWRLBGCJ-JTQLQIEISA-N 2 2 345.216 1.695 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1 ZINC000529836958 448979533 /nfs/dbraw/zinc/97/95/33/448979533.db2.gz ROELVIIEGFYWGC-WBVHZDCISA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1 ZINC000529836958 448979535 /nfs/dbraw/zinc/97/95/35/448979535.db2.gz ROELVIIEGFYWGC-WBVHZDCISA-N 2 2 331.460 1.726 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cnccc2C(C)(C)C)C[C@H](C)O1 ZINC000569213832 448981093 /nfs/dbraw/zinc/98/10/93/448981093.db2.gz FTWPPDGAXMDMJQ-HLLBOEOZSA-N 2 2 335.492 1.939 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000520898759 448939732 /nfs/dbraw/zinc/93/97/32/448939732.db2.gz YRUPSHHAJIZKIE-UHFFFAOYSA-N 2 2 347.459 1.442 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000520898759 448939734 /nfs/dbraw/zinc/93/97/34/448939734.db2.gz YRUPSHHAJIZKIE-UHFFFAOYSA-N 2 2 347.459 1.442 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c(C)c1 ZINC000582058342 448999382 /nfs/dbraw/zinc/99/93/82/448999382.db2.gz XLLQJPJDIXNCHQ-AEFFLSMTSA-N 2 2 336.476 1.601 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000529908981 449000887 /nfs/dbraw/zinc/00/08/87/449000887.db2.gz PCZQMEJJWRVFMU-OAHLLOKOSA-N 2 2 332.448 1.159 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000574975793 449002638 /nfs/dbraw/zinc/00/26/38/449002638.db2.gz ICPRLFUBCAMZOL-CVEARBPZSA-N 2 2 331.464 1.426 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCNC(=O)C(C)C)c2cc1C ZINC000569351185 449008750 /nfs/dbraw/zinc/00/87/50/449008750.db2.gz SDOATHHXMFILCD-HNNXBMFYSA-N 2 2 332.448 1.376 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)[C@H](C[NH3+])C1 ZINC000521834679 449016153 /nfs/dbraw/zinc/01/61/53/449016153.db2.gz KCWSPQRMCBKQHK-CQSZACIVSA-N 2 2 333.436 1.510 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)[C@H](C[NH3+])C1 ZINC000521834679 449016159 /nfs/dbraw/zinc/01/61/59/449016159.db2.gz KCWSPQRMCBKQHK-CQSZACIVSA-N 2 2 333.436 1.510 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000569379488 449018272 /nfs/dbraw/zinc/01/82/72/449018272.db2.gz FVAGAVRYTTYZAV-UHFFFAOYSA-N 3 2 327.476 1.636 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039295 449018724 /nfs/dbraw/zinc/01/87/24/449018724.db2.gz DPIMPZXLFTVBSN-VQTJNVASSA-N 3 2 346.519 1.020 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039295 449018728 /nfs/dbraw/zinc/01/87/28/449018728.db2.gz DPIMPZXLFTVBSN-VQTJNVASSA-N 3 2 346.519 1.020 20 0 EDADLP C[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)C1CC([NH3+])C1 ZINC000575050008 449022614 /nfs/dbraw/zinc/02/26/14/449022614.db2.gz XEHRQWCEDLXAME-UHFFFAOYSA-N 2 2 347.850 1.945 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)C1CC([NH3+])C1 ZINC000575050008 449022617 /nfs/dbraw/zinc/02/26/17/449022617.db2.gz XEHRQWCEDLXAME-UHFFFAOYSA-N 2 2 347.850 1.945 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548342276 449026409 /nfs/dbraw/zinc/02/64/09/449026409.db2.gz HSXWNOQJMQPPHC-KGLIPLIRSA-N 2 2 331.424 1.083 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000569286527 448992554 /nfs/dbraw/zinc/99/25/54/448992554.db2.gz MJSVWQSFZKCRRX-ZDUSSCGKSA-N 2 2 335.452 1.019 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000569286527 448992560 /nfs/dbraw/zinc/99/25/60/448992560.db2.gz MJSVWQSFZKCRRX-ZDUSSCGKSA-N 2 2 335.452 1.019 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000548653156 449071728 /nfs/dbraw/zinc/07/17/28/449071728.db2.gz KTEDRAHNUJJTKO-ZIAGYGMSSA-N 2 2 333.461 1.862 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000522138007 449055119 /nfs/dbraw/zinc/05/51/19/449055119.db2.gz ZSKKYMQZLKCFFT-DOTOQJQBSA-N 2 2 331.460 1.852 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000522138007 449055124 /nfs/dbraw/zinc/05/51/24/449055124.db2.gz ZSKKYMQZLKCFFT-DOTOQJQBSA-N 2 2 331.460 1.852 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000522596115 449085066 /nfs/dbraw/zinc/08/50/66/449085066.db2.gz OVOGKYOFLBZXKL-UHFFFAOYSA-N 2 2 342.447 1.856 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCOc1cccc(Cl)c1 ZINC000575192507 449059401 /nfs/dbraw/zinc/05/94/01/449059401.db2.gz DKSZTLULNYXSNA-TZMCWYRMSA-N 2 2 325.840 1.647 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCOc1cccc(Cl)c1 ZINC000575192507 449059406 /nfs/dbraw/zinc/05/94/06/449059406.db2.gz DKSZTLULNYXSNA-TZMCWYRMSA-N 2 2 325.840 1.647 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccnc3C(F)(F)F)C2)nn1 ZINC000530223409 449086390 /nfs/dbraw/zinc/08/63/90/449086390.db2.gz JFGJIEHXKAQFPH-ZDUSSCGKSA-N 2 2 340.353 1.988 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccnc3C(F)(F)F)C2)nn1 ZINC000530223409 449086396 /nfs/dbraw/zinc/08/63/96/449086396.db2.gz JFGJIEHXKAQFPH-ZDUSSCGKSA-N 2 2 340.353 1.988 20 0 EDADLP O=C1N[C@H]2C[N@H+](Cc3ncccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000530223552 449086517 /nfs/dbraw/zinc/08/65/17/449086517.db2.gz KMDHSFNYAFLFDL-HOTGVXAUSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@H]2C[N@@H+](Cc3ncccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000530223552 449086518 /nfs/dbraw/zinc/08/65/18/449086518.db2.gz KMDHSFNYAFLFDL-HOTGVXAUSA-N 2 2 349.866 1.455 20 0 EDADLP Cc1c[nH+]cn1CC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000530261375 449095406 /nfs/dbraw/zinc/09/54/06/449095406.db2.gz AQJDWTNBWQHBFA-UHFFFAOYSA-N 2 2 340.387 1.543 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000593733260 449168095 /nfs/dbraw/zinc/16/80/95/449168095.db2.gz KKYBKRWDTDDDBO-BBRMVZONSA-N 2 2 333.432 1.861 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000593733260 449168102 /nfs/dbraw/zinc/16/81/02/449168102.db2.gz KKYBKRWDTDDDBO-BBRMVZONSA-N 2 2 333.432 1.861 20 0 EDADLP COC(=O)Cn1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nn1 ZINC000590638564 449229808 /nfs/dbraw/zinc/22/98/08/449229808.db2.gz AVRGNWUUIIXCMP-UHFFFAOYSA-N 2 2 349.479 1.539 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000611257830 449240031 /nfs/dbraw/zinc/24/00/31/449240031.db2.gz WLDFOXHCQNFRIP-UHFFFAOYSA-N 2 2 339.480 1.251 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906944 449245910 /nfs/dbraw/zinc/24/59/10/449245910.db2.gz OUQHZJKHLNVIFT-KGLIPLIRSA-N 2 2 342.484 1.042 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906944 449245916 /nfs/dbraw/zinc/24/59/16/449245916.db2.gz OUQHZJKHLNVIFT-KGLIPLIRSA-N 2 2 342.484 1.042 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000593832053 449222696 /nfs/dbraw/zinc/22/26/96/449222696.db2.gz FXHASYQJUIQJTC-AWEZNQCLSA-N 2 2 326.404 1.363 20 0 EDADLP CCOC(=O)c1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000600168346 449224663 /nfs/dbraw/zinc/22/46/63/449224663.db2.gz XRNKGRQNIYFATA-UHFFFAOYSA-N 2 2 333.432 1.555 20 0 EDADLP CCOC(=O)c1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000600168346 449224668 /nfs/dbraw/zinc/22/46/68/449224668.db2.gz XRNKGRQNIYFATA-UHFFFAOYSA-N 2 2 333.432 1.555 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000600368389 449341396 /nfs/dbraw/zinc/34/13/96/449341396.db2.gz BSYQGSYHHXSXEI-UHFFFAOYSA-N 2 2 330.432 1.366 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000594133414 449364931 /nfs/dbraw/zinc/36/49/31/449364931.db2.gz OTVOERBLXHKCFF-BRWVUGGUSA-N 2 2 339.528 1.184 20 0 EDADLP Cc1ccn2cnc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)c2c1 ZINC000611976434 449499867 /nfs/dbraw/zinc/49/98/67/449499867.db2.gz CNWDRWLHFFZUNA-UHFFFAOYSA-N 2 2 329.448 1.399 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C[NH+]1CCOCC1 ZINC000606717639 449515643 /nfs/dbraw/zinc/51/56/43/449515643.db2.gz HCOHYKHOVOLPAU-CVEARBPZSA-N 2 2 335.452 1.198 20 0 EDADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000594492979 449556650 /nfs/dbraw/zinc/55/66/50/449556650.db2.gz ACEJLCBLWGUSLB-QGZVFWFLSA-N 2 2 345.443 1.214 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598719231 449561899 /nfs/dbraw/zinc/56/18/99/449561899.db2.gz MIYDIEMNAUWDQP-CRAIPNDOSA-N 2 2 334.464 1.765 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598719231 449561904 /nfs/dbraw/zinc/56/19/04/449561904.db2.gz MIYDIEMNAUWDQP-CRAIPNDOSA-N 2 2 334.464 1.765 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000602485211 449626897 /nfs/dbraw/zinc/62/68/97/449626897.db2.gz WGNJOKWBUAYIPU-CRAIPNDOSA-N 2 2 348.491 1.649 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000602485211 449626901 /nfs/dbraw/zinc/62/69/01/449626901.db2.gz WGNJOKWBUAYIPU-CRAIPNDOSA-N 2 2 348.491 1.649 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000601007308 449650213 /nfs/dbraw/zinc/65/02/13/449650213.db2.gz CHPZIRNYJOGPEU-HZPDHXFCSA-N 2 2 331.464 1.663 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000601007308 449650217 /nfs/dbraw/zinc/65/02/17/449650217.db2.gz CHPZIRNYJOGPEU-HZPDHXFCSA-N 2 2 331.464 1.663 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2c1CC(=O)CC2 ZINC000617507906 449659963 /nfs/dbraw/zinc/65/99/63/449659963.db2.gz OHUODPOUYOBBMS-HNNXBMFYSA-N 2 2 345.487 1.746 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2c1CC(=O)CC2 ZINC000617507906 449659968 /nfs/dbraw/zinc/65/99/68/449659968.db2.gz OHUODPOUYOBBMS-HNNXBMFYSA-N 2 2 345.487 1.746 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](CCO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000607733839 449644194 /nfs/dbraw/zinc/64/41/94/449644194.db2.gz QDVCRPZCQIAYAD-INIZCTEOSA-N 2 2 335.448 1.018 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](CCO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000607733839 449644199 /nfs/dbraw/zinc/64/41/99/449644199.db2.gz QDVCRPZCQIAYAD-INIZCTEOSA-N 2 2 335.448 1.018 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000594717959 449644698 /nfs/dbraw/zinc/64/46/98/449644698.db2.gz IWMBXUNCRJCEGI-SWKXRBFHSA-N 2 2 326.481 1.933 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000594717959 449644706 /nfs/dbraw/zinc/64/47/06/449644706.db2.gz IWMBXUNCRJCEGI-SWKXRBFHSA-N 2 2 326.481 1.933 20 0 EDADLP C[C@H](c1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1)[NH+]1CCOCC1 ZINC000601000487 449645495 /nfs/dbraw/zinc/64/54/95/449645495.db2.gz GAHMLIIDHAMUIU-MRXNPFEDSA-N 2 2 346.475 1.266 20 0 EDADLP COC(=O)c1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)on1 ZINC000602604249 449699056 /nfs/dbraw/zinc/69/90/56/449699056.db2.gz PLYIYYDTVFJWKX-UHFFFAOYSA-N 2 2 334.376 1.086 20 0 EDADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccc(I)cc2)C1 ZINC000599018432 449700651 /nfs/dbraw/zinc/70/06/51/449700651.db2.gz HVGJIXPHXRZQLG-ZDUSSCGKSA-N 2 2 346.212 1.447 20 0 EDADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2ccc(I)cc2)C1 ZINC000599018432 449700656 /nfs/dbraw/zinc/70/06/56/449700656.db2.gz HVGJIXPHXRZQLG-ZDUSSCGKSA-N 2 2 346.212 1.447 20 0 EDADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000601146384 449715500 /nfs/dbraw/zinc/71/55/00/449715500.db2.gz GUFQPHJXWWBVKI-QWRGUYRKSA-N 2 2 336.417 1.090 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@H](O)C(F)(F)F)CC1 ZINC000602744578 449778705 /nfs/dbraw/zinc/77/87/05/449778705.db2.gz SBEHVUFJDJVKQU-MFKMUULPSA-N 2 2 326.359 1.305 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671969 449752914 /nfs/dbraw/zinc/75/29/14/449752914.db2.gz LEFBIFJXORNCRF-UHFFFAOYSA-N 2 2 333.461 1.584 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH]1 ZINC000602713160 449764047 /nfs/dbraw/zinc/76/40/47/449764047.db2.gz YXYFQLXHULPBCH-MRXNPFEDSA-N 2 2 335.448 1.878 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH]1 ZINC000602713160 449764054 /nfs/dbraw/zinc/76/40/54/449764054.db2.gz YXYFQLXHULPBCH-MRXNPFEDSA-N 2 2 335.448 1.878 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc2c1CC(=O)CC2 ZINC000617764108 449824624 /nfs/dbraw/zinc/82/46/24/449824624.db2.gz IZZBNEXLQRZWJD-UHFFFAOYSA-N 2 2 331.460 1.358 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc2c1CC(=O)CC2 ZINC000617764108 449824628 /nfs/dbraw/zinc/82/46/28/449824628.db2.gz IZZBNEXLQRZWJD-UHFFFAOYSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1-n1cncn1 ZINC000617766434 449828451 /nfs/dbraw/zinc/82/84/51/449828451.db2.gz KAYRXLZGBASAST-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1-n1cncn1 ZINC000617766434 449828454 /nfs/dbraw/zinc/82/84/54/449828454.db2.gz KAYRXLZGBASAST-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn(-c2ccccc2F)c1 ZINC000617767258 449830920 /nfs/dbraw/zinc/83/09/20/449830920.db2.gz MPLYTYAQHXQNNG-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn(-c2ccccc2F)c1 ZINC000617767258 449830927 /nfs/dbraw/zinc/83/09/27/449830927.db2.gz MPLYTYAQHXQNNG-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP COc1ccc2[nH]cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2c1 ZINC000617767203 449831024 /nfs/dbraw/zinc/83/10/24/449831024.db2.gz KJFALEUGXOHXBE-UHFFFAOYSA-N 2 2 346.475 1.719 20 0 EDADLP COc1ccc2[nH]cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC000617767203 449831033 /nfs/dbraw/zinc/83/10/33/449831033.db2.gz KJFALEUGXOHXBE-UHFFFAOYSA-N 2 2 346.475 1.719 20 0 EDADLP CC(C)n1ncc2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnc21 ZINC000617767764 449832061 /nfs/dbraw/zinc/83/20/61/449832061.db2.gz BRYXEIJWMGGUBW-UHFFFAOYSA-N 2 2 346.479 1.626 20 0 EDADLP CC(C)n1ncc2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnc21 ZINC000617767764 449832066 /nfs/dbraw/zinc/83/20/66/449832066.db2.gz BRYXEIJWMGGUBW-UHFFFAOYSA-N 2 2 346.479 1.626 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000601328148 449835220 /nfs/dbraw/zinc/83/52/20/449835220.db2.gz BKIHLHNHXGZTNC-OAHLLOKOSA-N 2 2 335.452 1.410 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000601328148 449835223 /nfs/dbraw/zinc/83/52/23/449835223.db2.gz BKIHLHNHXGZTNC-OAHLLOKOSA-N 2 2 335.452 1.410 20 0 EDADLP COCCCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC[NH+](C)CC1 ZINC000615045751 449927200 /nfs/dbraw/zinc/92/72/00/449927200.db2.gz FHKBVKXLUCPHGO-HNNXBMFYSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000612871682 449920427 /nfs/dbraw/zinc/92/04/27/449920427.db2.gz BWOFTOYKCBXNIM-MJGOQNOKSA-N 2 2 346.475 1.420 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970702 449963845 /nfs/dbraw/zinc/96/38/45/449963845.db2.gz LEWQMMYAWKYOOD-INIZCTEOSA-N 2 2 325.416 1.814 20 0 EDADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000612980370 449969645 /nfs/dbraw/zinc/96/96/45/449969645.db2.gz PVHQNVVNPORKDU-MRXNPFEDSA-N 2 2 329.448 1.051 20 0 EDADLP CCc1noc(C)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479256 450000510 /nfs/dbraw/zinc/00/05/10/450000510.db2.gz TWCQVCYTRLZCQG-HNNXBMFYSA-N 2 2 334.464 1.786 20 0 EDADLP CCc1noc(C)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479256 450000512 /nfs/dbraw/zinc/00/05/12/450000512.db2.gz TWCQVCYTRLZCQG-HNNXBMFYSA-N 2 2 334.464 1.786 20 0 EDADLP CN(C(=O)C1(C(F)(F)F)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479924 450002574 /nfs/dbraw/zinc/00/25/74/450002574.db2.gz YIZIRYFTEDGESE-ZDUSSCGKSA-N 2 2 333.398 1.956 20 0 EDADLP CN(C(=O)C1(C(F)(F)F)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479924 450002580 /nfs/dbraw/zinc/00/25/80/450002580.db2.gz YIZIRYFTEDGESE-ZDUSSCGKSA-N 2 2 333.398 1.956 20 0 EDADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000609385657 450022415 /nfs/dbraw/zinc/02/24/15/450022415.db2.gz DAUJUJDJSABJNF-KRWDZBQOSA-N 2 2 346.475 1.865 20 0 EDADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000609385657 450022422 /nfs/dbraw/zinc/02/24/22/450022422.db2.gz DAUJUJDJSABJNF-KRWDZBQOSA-N 2 2 346.475 1.865 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N(Cc1ccco1)Cc1ccccc1 ZINC000613209620 450080985 /nfs/dbraw/zinc/08/09/85/450080985.db2.gz AXBCPRPTYYZVDM-ROUUACIJSA-N 2 2 339.439 1.960 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599583091 450083384 /nfs/dbraw/zinc/08/33/84/450083384.db2.gz QHJATIXUCWKODZ-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599583091 450083388 /nfs/dbraw/zinc/08/33/88/450083388.db2.gz QHJATIXUCWKODZ-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599583091 450083394 /nfs/dbraw/zinc/08/33/94/450083394.db2.gz QHJATIXUCWKODZ-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599583091 450083400 /nfs/dbraw/zinc/08/34/00/450083400.db2.gz QHJATIXUCWKODZ-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C[C@@H]1[NH+]1CCCC1 ZINC000599764422 450203470 /nfs/dbraw/zinc/20/34/70/450203470.db2.gz ZBQYWFMBDOJFCL-OWCLPIDISA-N 2 2 348.516 1.792 20 0 EDADLP COC(=O)c1ccnc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000603317024 450240594 /nfs/dbraw/zinc/24/05/94/450240594.db2.gz FNOGYASDLSSLTP-UHFFFAOYSA-N 2 2 346.475 1.863 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000623264182 450469687 /nfs/dbraw/zinc/46/96/87/450469687.db2.gz HYMYHXTWBFCFCR-WBVHZDCISA-N 2 2 328.391 1.728 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000623264182 450469691 /nfs/dbraw/zinc/46/96/91/450469691.db2.gz HYMYHXTWBFCFCR-WBVHZDCISA-N 2 2 328.391 1.728 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)C(C)(C)CO ZINC000616865498 450503413 /nfs/dbraw/zinc/50/34/13/450503413.db2.gz VLQPHDHCFGCDSZ-TZMCWYRMSA-N 2 2 340.493 1.033 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(C)(C)CO ZINC000616865498 450503416 /nfs/dbraw/zinc/50/34/16/450503416.db2.gz VLQPHDHCFGCDSZ-TZMCWYRMSA-N 2 2 340.493 1.033 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000623413019 450518195 /nfs/dbraw/zinc/51/81/95/450518195.db2.gz HYUWLDZQFGLPBO-SFHVURJKSA-N 2 2 346.475 1.065 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000623413019 450518198 /nfs/dbraw/zinc/51/81/98/450518198.db2.gz HYUWLDZQFGLPBO-SFHVURJKSA-N 2 2 346.475 1.065 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000623413019 450518200 /nfs/dbraw/zinc/51/82/00/450518200.db2.gz HYUWLDZQFGLPBO-SFHVURJKSA-N 2 2 346.475 1.065 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000623413019 450518202 /nfs/dbraw/zinc/51/82/02/450518202.db2.gz HYUWLDZQFGLPBO-SFHVURJKSA-N 2 2 346.475 1.065 20 0 EDADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087400 450572557 /nfs/dbraw/zinc/57/25/57/450572557.db2.gz MSCZILBWUIGYTL-HZPDHXFCSA-N 2 2 325.497 1.866 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000626090073 450573651 /nfs/dbraw/zinc/57/36/51/450573651.db2.gz UWWIIUQEANGLHJ-MRXNPFEDSA-N 2 2 326.481 1.229 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)CC2 ZINC000626138577 450581729 /nfs/dbraw/zinc/58/17/29/450581729.db2.gz ATVBZRWTQAWAMM-IXDOHACOSA-N 2 2 346.475 1.514 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3nnc(C4CC4)o3)CC2)CC1 ZINC000631437301 450590804 /nfs/dbraw/zinc/59/08/04/450590804.db2.gz WYIMEPGMIZDEMQ-UHFFFAOYSA-N 2 2 347.463 1.579 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3nnc(C4CC4)o3)CC2)CC1 ZINC000631437301 450590810 /nfs/dbraw/zinc/59/08/10/450590810.db2.gz WYIMEPGMIZDEMQ-UHFFFAOYSA-N 2 2 347.463 1.579 20 0 EDADLP Cc1nc(N2CC[NH+](CCc3cnccn3)CC2)c2c([nH+]1)CCCC2 ZINC000631535273 450642008 /nfs/dbraw/zinc/64/20/08/450642008.db2.gz WTLWVHJALCMMPS-UHFFFAOYSA-N 2 2 338.459 1.819 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000621280127 450653369 /nfs/dbraw/zinc/65/33/69/450653369.db2.gz NCCTUCWRNSZDDS-INIZCTEOSA-N 2 2 327.494 1.282 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000621280127 450653374 /nfs/dbraw/zinc/65/33/74/450653374.db2.gz NCCTUCWRNSZDDS-INIZCTEOSA-N 2 2 327.494 1.282 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000623968009 450654315 /nfs/dbraw/zinc/65/43/15/450654315.db2.gz PUVRCHVRUIVVDY-ROUUACIJSA-N 2 2 346.475 1.138 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000623968009 450654317 /nfs/dbraw/zinc/65/43/17/450654317.db2.gz PUVRCHVRUIVVDY-ROUUACIJSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000623968009 450654318 /nfs/dbraw/zinc/65/43/18/450654318.db2.gz PUVRCHVRUIVVDY-ROUUACIJSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623968009 450654321 /nfs/dbraw/zinc/65/43/21/450654321.db2.gz PUVRCHVRUIVVDY-ROUUACIJSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+](C)CC1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000635119929 450664949 /nfs/dbraw/zinc/66/49/49/450664949.db2.gz RDWULXAZXLVUNQ-UHFFFAOYSA-N 2 2 331.460 1.551 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624001839 450665292 /nfs/dbraw/zinc/66/52/92/450665292.db2.gz ODUYNARKRYYCHY-SNVBAGLBSA-N 2 2 333.827 1.233 20 0 EDADLP Cc1cccn2cc(CCNC(=O)c3cnn(CC[NH+](C)C)c3)[nH+]c12 ZINC000631595696 450670956 /nfs/dbraw/zinc/67/09/56/450670956.db2.gz DSDJBAKAVKWPEV-UHFFFAOYSA-N 2 2 340.431 1.373 20 0 EDADLP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)n1cccn1 ZINC000624045451 450682139 /nfs/dbraw/zinc/68/21/39/450682139.db2.gz IJDGMFRPGRLRAN-ZIAGYGMSSA-N 2 2 332.370 1.829 20 0 EDADLP CC(C)C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)n1cc[nH+]c1 ZINC000635137446 450683435 /nfs/dbraw/zinc/68/34/35/450683435.db2.gz AZDUGBMBPOGHAH-SJORKVTESA-N 2 2 336.480 1.943 20 0 EDADLP CC(C)C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)n1cc[nH+]c1 ZINC000635137446 450683436 /nfs/dbraw/zinc/68/34/36/450683436.db2.gz AZDUGBMBPOGHAH-SJORKVTESA-N 2 2 336.480 1.943 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(S(=O)(=O)NC3CC3)cc1)C2 ZINC000629596474 450755193 /nfs/dbraw/zinc/75/51/93/450755193.db2.gz ZZWFMRXNXMZTIZ-HDICACEKSA-N 2 2 349.500 1.559 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(S(=O)(=O)NC3CC3)cc1)C2 ZINC000629596474 450755199 /nfs/dbraw/zinc/75/51/99/450755199.db2.gz ZZWFMRXNXMZTIZ-HDICACEKSA-N 2 2 349.500 1.559 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@H]1C[NH3+] ZINC000631843416 450813606 /nfs/dbraw/zinc/81/36/06/450813606.db2.gz NJQRJUPSWKPERJ-NXEZZACHSA-N 2 2 327.331 1.473 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@H]1C[NH3+] ZINC000631843416 450813610 /nfs/dbraw/zinc/81/36/10/450813610.db2.gz NJQRJUPSWKPERJ-NXEZZACHSA-N 2 2 327.331 1.473 20 0 EDADLP Cc1ccc(CN(C(=O)C[NH+]2CCC([NH2+]CCO)CC2)C2CC2)cc1 ZINC000631863708 450833302 /nfs/dbraw/zinc/83/33/02/450833302.db2.gz BNYHJSXRAXGLLJ-UHFFFAOYSA-N 2 2 345.487 1.532 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869384 450837099 /nfs/dbraw/zinc/83/70/99/450837099.db2.gz XANWRAPUFDEWLX-QUCCMNQESA-N 2 2 345.487 1.961 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3(C[NH+](C)C)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000635314765 450839498 /nfs/dbraw/zinc/83/94/98/450839498.db2.gz MKQFVYBKXVGNGG-HUUCEWRRSA-N 2 2 346.475 1.653 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000631827624 450799223 /nfs/dbraw/zinc/79/92/23/450799223.db2.gz RQLUZKDWMQCNMJ-UHFFFAOYSA-N 2 2 336.399 1.773 20 0 EDADLP C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1C[NH2+]CCO1 ZINC000631834721 450804187 /nfs/dbraw/zinc/80/41/87/450804187.db2.gz DMHKNRNHZMYEBJ-ZFWWWQNUSA-N 2 2 349.258 1.653 20 0 EDADLP C[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H]1C[NH2+]CCO1 ZINC000631834721 450804193 /nfs/dbraw/zinc/80/41/93/450804193.db2.gz DMHKNRNHZMYEBJ-ZFWWWQNUSA-N 2 2 349.258 1.653 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)CC2 ZINC000626697079 450857361 /nfs/dbraw/zinc/85/73/61/450857361.db2.gz ITUYVWOJDQLOMP-CQSZACIVSA-N 2 2 342.447 1.856 20 0 EDADLP C[NH+](C)CCOc1ccc(CCNC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000621856302 450900508 /nfs/dbraw/zinc/90/05/08/450900508.db2.gz NKDGOJMYAFKCPF-UHFFFAOYSA-N 2 2 344.459 1.987 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)C3(C[NH+](C)C)CC3)c2)CC1 ZINC000635419681 450926395 /nfs/dbraw/zinc/92/63/95/450926395.db2.gz ZNTHPYSBSGTNSI-UHFFFAOYSA-N 2 2 330.476 1.714 20 0 EDADLP Cc1cc(CO)cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)[nH+]1 ZINC000624704233 450955650 /nfs/dbraw/zinc/95/56/50/450955650.db2.gz CIFGICIRXYOKGW-QGZVFWFLSA-N 2 2 328.416 1.590 20 0 EDADLP Cc1cc(CO)cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)[nH+]1 ZINC000624704233 450955655 /nfs/dbraw/zinc/95/56/55/450955655.db2.gz CIFGICIRXYOKGW-QGZVFWFLSA-N 2 2 328.416 1.590 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC[C@@H](C)[NH+](C)C2CC2)cc1 ZINC000635492069 450988232 /nfs/dbraw/zinc/98/82/32/450988232.db2.gz SULOFTCYXMCHJI-RDTXWAMCSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC[C@@H](C)[NH+](C)C2CC2)cc1 ZINC000635492069 450988234 /nfs/dbraw/zinc/98/82/34/450988234.db2.gz SULOFTCYXMCHJI-RDTXWAMCSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000635492069 450988235 /nfs/dbraw/zinc/98/82/35/450988235.db2.gz SULOFTCYXMCHJI-RDTXWAMCSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000635492069 450988237 /nfs/dbraw/zinc/98/82/37/450988237.db2.gz SULOFTCYXMCHJI-RDTXWAMCSA-N 2 2 331.460 1.868 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccccc1 ZINC000626926830 451009282 /nfs/dbraw/zinc/00/92/82/451009282.db2.gz FLBZQOACIKLFOM-OAHLLOKOSA-N 2 2 343.431 1.317 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)NCc1cccc2c1CC[NH2+]C2 ZINC000635527371 451024632 /nfs/dbraw/zinc/02/46/32/451024632.db2.gz HVDAFBXESZHNLO-UHFFFAOYSA-N 2 2 335.411 1.979 20 0 EDADLP CC(C)C[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000635556892 451054306 /nfs/dbraw/zinc/05/43/06/451054306.db2.gz UCQFLVDELCYQPE-ROUUACIJSA-N 2 2 349.523 1.859 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)[nH+]c12 ZINC000626991410 451057189 /nfs/dbraw/zinc/05/71/89/451057189.db2.gz HBXVUNKWAZSJGL-KDURUIRLSA-N 2 2 341.459 1.826 20 0 EDADLP C[C@@H](CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000635559440 451058562 /nfs/dbraw/zinc/05/85/62/451058562.db2.gz RTLJMLCNPHTGEK-QWHCGFSZSA-N 2 2 347.385 1.129 20 0 EDADLP CNc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000635560718 451059207 /nfs/dbraw/zinc/05/92/07/451059207.db2.gz MLEZONUYOBJCTO-UHFFFAOYSA-N 2 2 336.455 1.965 20 0 EDADLP CNc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000635560718 451059211 /nfs/dbraw/zinc/05/92/11/451059211.db2.gz MLEZONUYOBJCTO-UHFFFAOYSA-N 2 2 336.455 1.965 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)n1cc[nH+]c1 ZINC000633898277 451081686 /nfs/dbraw/zinc/08/16/86/451081686.db2.gz ARSZXNSLSNWWIX-HNNXBMFYSA-N 2 2 328.416 1.884 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635600306 451095216 /nfs/dbraw/zinc/09/52/16/451095216.db2.gz TWALVCZXNFVTEX-NZSAHSFTSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635600306 451095219 /nfs/dbraw/zinc/09/52/19/451095219.db2.gz TWALVCZXNFVTEX-NZSAHSFTSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635600306 451095221 /nfs/dbraw/zinc/09/52/21/451095221.db2.gz TWALVCZXNFVTEX-NZSAHSFTSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635600306 451095222 /nfs/dbraw/zinc/09/52/22/451095222.db2.gz TWALVCZXNFVTEX-NZSAHSFTSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[C@@H](C)O1 ZINC000632118215 451048602 /nfs/dbraw/zinc/04/86/02/451048602.db2.gz JVZJEIPLDIUBGI-QBFPNPNUSA-N 2 2 335.492 1.569 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[C@@H](C)O1 ZINC000632118215 451048609 /nfs/dbraw/zinc/04/86/09/451048609.db2.gz JVZJEIPLDIUBGI-QBFPNPNUSA-N 2 2 335.492 1.569 20 0 EDADLP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635629387 451119361 /nfs/dbraw/zinc/11/93/61/451119361.db2.gz DLVTWEZKYHEFKR-MDZRGWNJSA-N 2 2 340.427 1.266 20 0 EDADLP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635629387 451119365 /nfs/dbraw/zinc/11/93/65/451119365.db2.gz DLVTWEZKYHEFKR-MDZRGWNJSA-N 2 2 340.427 1.266 20 0 EDADLP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635629387 451119370 /nfs/dbraw/zinc/11/93/70/451119370.db2.gz DLVTWEZKYHEFKR-MDZRGWNJSA-N 2 2 340.427 1.266 20 0 EDADLP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635629387 451119373 /nfs/dbraw/zinc/11/93/73/451119373.db2.gz DLVTWEZKYHEFKR-MDZRGWNJSA-N 2 2 340.427 1.266 20 0 EDADLP CC[C@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635689993 451173841 /nfs/dbraw/zinc/17/38/41/451173841.db2.gz ZXJLUDYMHVSFIF-BPQIPLTHSA-N 2 2 333.476 1.732 20 0 EDADLP CC[C@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635689993 451173845 /nfs/dbraw/zinc/17/38/45/451173845.db2.gz ZXJLUDYMHVSFIF-BPQIPLTHSA-N 2 2 333.476 1.732 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[NH2+]1 ZINC000627203139 451185019 /nfs/dbraw/zinc/18/50/19/451185019.db2.gz VHIXSKBWSQZZKO-IIQAOJFUSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[NH2+]1 ZINC000627203139 451185023 /nfs/dbraw/zinc/18/50/23/451185023.db2.gz VHIXSKBWSQZZKO-IIQAOJFUSA-N 3 2 349.523 1.079 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635713862 451192974 /nfs/dbraw/zinc/19/29/74/451192974.db2.gz HLTYHDUVLZBEIY-SFHVURJKSA-N 2 2 333.476 1.076 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635713862 451192977 /nfs/dbraw/zinc/19/29/77/451192977.db2.gz HLTYHDUVLZBEIY-SFHVURJKSA-N 2 2 333.476 1.076 20 0 EDADLP CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1ccco1 ZINC000632328756 451201135 /nfs/dbraw/zinc/20/11/35/451201135.db2.gz HZWDHSDLUDGGEF-UONOGXRCSA-N 2 2 343.493 1.722 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634193584 451229268 /nfs/dbraw/zinc/22/92/68/451229268.db2.gz KRVFDWZFFJCTMW-UHFFFAOYSA-N 2 2 340.431 1.547 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCn4ccnc4C3)c2)CC1 ZINC000634194874 451233009 /nfs/dbraw/zinc/23/30/09/451233009.db2.gz XFQMESVOCQNTOV-CQSZACIVSA-N 2 2 340.431 1.231 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2)CC1 ZINC000634194874 451233011 /nfs/dbraw/zinc/23/30/11/451233011.db2.gz XFQMESVOCQNTOV-CQSZACIVSA-N 3 2 340.431 1.231 20 0 EDADLP C[NH+](C)CCCCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302646 451285963 /nfs/dbraw/zinc/28/59/63/451285963.db2.gz NXPDGXSCTAWWIF-UHFFFAOYSA-N 2 2 336.505 1.983 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000638083918 451248453 /nfs/dbraw/zinc/24/84/53/451248453.db2.gz PCZMIUVSJUIOTD-UHFFFAOYSA-N 2 2 329.391 1.522 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000638083918 451248458 /nfs/dbraw/zinc/24/84/58/451248458.db2.gz PCZMIUVSJUIOTD-UHFFFAOYSA-N 2 2 329.391 1.522 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000632397660 451253184 /nfs/dbraw/zinc/25/31/84/451253184.db2.gz HIPRMLKVCKVLDH-UHFFFAOYSA-N 2 2 349.479 1.339 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000632397660 451253192 /nfs/dbraw/zinc/25/31/92/451253192.db2.gz HIPRMLKVCKVLDH-UHFFFAOYSA-N 2 2 349.479 1.339 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCC1C[NH2+]C1 ZINC000638100946 451266942 /nfs/dbraw/zinc/26/69/42/451266942.db2.gz BRSSRMQLQMHFQV-QGZVFWFLSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000634299742 451284434 /nfs/dbraw/zinc/28/44/34/451284434.db2.gz ZJWNZTFTJXTYDX-LLVKDONJSA-N 2 2 335.782 1.837 20 0 EDADLP CC(C)[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+]1CCC(C)CC1 ZINC000636551098 451290774 /nfs/dbraw/zinc/29/07/74/451290774.db2.gz NUWLJZNXSWHNHP-NVXWUHKLSA-N 2 2 333.480 1.864 20 0 EDADLP C[C@@]1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[NH2+]CCO1 ZINC000638130510 451302437 /nfs/dbraw/zinc/30/24/37/451302437.db2.gz GZYDKFVRXSPZIJ-SFHVURJKSA-N 2 2 328.416 1.121 20 0 EDADLP [NH3+]C[C@@]1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCCOC1 ZINC000638132128 451303323 /nfs/dbraw/zinc/30/33/23/451303323.db2.gz PNMXJFOWFLJROB-IBGZPJMESA-N 2 2 342.443 1.498 20 0 EDADLP C[C@@]1(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C[NH2+]CCO1 ZINC000638133240 451305394 /nfs/dbraw/zinc/30/53/94/451305394.db2.gz URYWHCCYWLJTHL-IBGZPJMESA-N 2 2 342.443 1.511 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000638136915 451310260 /nfs/dbraw/zinc/31/02/60/451310260.db2.gz CFHAELUXTAKNJR-UHFFFAOYSA-N 3 2 329.404 1.446 20 0 EDADLP C[C@H]1C[N@H+](Cc2cc3c(cn2)OCCO3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638137834 451313662 /nfs/dbraw/zinc/31/36/62/451313662.db2.gz OZLPMLURRUGLCI-RDJZCZTQSA-N 2 2 346.475 1.311 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cc3c(cn2)OCCO3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638137834 451313666 /nfs/dbraw/zinc/31/36/66/451313666.db2.gz OZLPMLURRUGLCI-RDJZCZTQSA-N 2 2 346.475 1.311 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000638172806 451336944 /nfs/dbraw/zinc/33/69/44/451336944.db2.gz QWDLZUGTICQZSP-CJNGLKHVSA-N 2 2 334.445 1.614 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000638172806 451336947 /nfs/dbraw/zinc/33/69/47/451336947.db2.gz QWDLZUGTICQZSP-CJNGLKHVSA-N 2 2 334.445 1.614 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195160 451350625 /nfs/dbraw/zinc/35/06/25/451350625.db2.gz RFBMDAOIHIEHFQ-IBGZPJMESA-N 2 2 338.455 1.365 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629149 451366682 /nfs/dbraw/zinc/36/66/82/451366682.db2.gz GTECOSRSPAOVPU-QLFBSQMISA-N 2 2 333.480 1.864 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629149 451366686 /nfs/dbraw/zinc/36/66/86/451366686.db2.gz GTECOSRSPAOVPU-QLFBSQMISA-N 2 2 333.480 1.864 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)[C@]12CCCO2 ZINC000638280076 451398628 /nfs/dbraw/zinc/39/86/28/451398628.db2.gz ZRCNQHJJUWVDPG-XMTFNYHQSA-N 2 2 326.481 1.659 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@]12CCCO2 ZINC000638280076 451398633 /nfs/dbraw/zinc/39/86/33/451398633.db2.gz ZRCNQHJJUWVDPG-XMTFNYHQSA-N 2 2 326.481 1.659 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccn4cc(C)[nH+]c4c3)[C@H]2C1 ZINC000635963811 451401382 /nfs/dbraw/zinc/40/13/82/451401382.db2.gz WGSGYSDJXHKOOJ-JKSUJKDBSA-N 2 2 328.416 1.578 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccn4cc(C)[nH+]c4c3)[C@H]2C1 ZINC000635963811 451401388 /nfs/dbraw/zinc/40/13/88/451401388.db2.gz WGSGYSDJXHKOOJ-JKSUJKDBSA-N 2 2 328.416 1.578 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000635974985 451410673 /nfs/dbraw/zinc/41/06/73/451410673.db2.gz GQMKRLZVXLFDAD-IBGZPJMESA-N 2 2 345.487 1.484 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000635974985 451410679 /nfs/dbraw/zinc/41/06/79/451410679.db2.gz GQMKRLZVXLFDAD-IBGZPJMESA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)nc(C(C)C)[nH+]1 ZINC000628825072 451433378 /nfs/dbraw/zinc/43/33/78/451433378.db2.gz CGXPNEJHZHEKCZ-GFCCVEGCSA-N 2 2 330.436 2.038 20 0 EDADLP CO[C@]1(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCOC1 ZINC000638337466 451440818 /nfs/dbraw/zinc/44/08/18/451440818.db2.gz SJYPGTXVQYYKIU-IBGZPJMESA-N 2 2 333.476 1.594 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccns3)cc2)CC1 ZINC000638364097 451461228 /nfs/dbraw/zinc/46/12/28/451461228.db2.gz BGBVJXQKWSNBIU-UHFFFAOYSA-N 2 2 330.457 1.821 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000640620090 451468189 /nfs/dbraw/zinc/46/81/89/451468189.db2.gz DKOXHLNHNBJGDG-HNNXBMFYSA-N 2 2 347.463 1.329 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000628915333 451473740 /nfs/dbraw/zinc/47/37/40/451473740.db2.gz WGVJRRKLLKQGEF-ROUUACIJSA-N 2 2 331.460 1.313 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000628915333 451473747 /nfs/dbraw/zinc/47/37/47/451473747.db2.gz WGVJRRKLLKQGEF-ROUUACIJSA-N 2 2 331.460 1.313 20 0 EDADLP [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000638380568 451475655 /nfs/dbraw/zinc/47/56/55/451475655.db2.gz XRRYZTMFWBWWCI-UHFFFAOYSA-N 2 2 326.400 1.921 20 0 EDADLP CO[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCOC1 ZINC000638385788 451479769 /nfs/dbraw/zinc/47/97/69/451479769.db2.gz HPFKVGOGKUXKQV-MOPGFXCFSA-N 2 2 334.460 1.660 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634711951 451491037 /nfs/dbraw/zinc/49/10/37/451491037.db2.gz XCNXAHQPTCHOBI-HKUYNNGSSA-N 3 2 326.444 1.425 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711951 451491040 /nfs/dbraw/zinc/49/10/40/451491040.db2.gz XCNXAHQPTCHOBI-HKUYNNGSSA-N 3 2 326.444 1.425 20 0 EDADLP OCCN1CCCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721010 451502022 /nfs/dbraw/zinc/50/20/22/451502022.db2.gz SJZPVOJYPKUVHB-WOJBJXKFSA-N 2 2 347.503 1.060 20 0 EDADLP OCCN1CCCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721010 451502031 /nfs/dbraw/zinc/50/20/31/451502031.db2.gz SJZPVOJYPKUVHB-WOJBJXKFSA-N 2 2 347.503 1.060 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@@H](O)C(F)F)c2cc1C ZINC000634726552 451508285 /nfs/dbraw/zinc/50/82/85/451508285.db2.gz WCLYJCZLABRBOP-SWLSCSKDSA-N 2 2 327.375 1.620 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccnc(N2CCSCC2)c1)C1CC1 ZINC000634728320 451509276 /nfs/dbraw/zinc/50/92/76/451509276.db2.gz WXXRIQUILLVLHY-MRXNPFEDSA-N 2 2 336.505 1.180 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccnc(N2CCSCC2)c1)C1CC1 ZINC000634728320 451509279 /nfs/dbraw/zinc/50/92/79/451509279.db2.gz WXXRIQUILLVLHY-MRXNPFEDSA-N 2 2 336.505 1.180 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631043494 451550718 /nfs/dbraw/zinc/55/07/18/451550718.db2.gz YAIQBECWEAJAEC-ZACQAIPSSA-N 2 2 335.496 1.772 20 0 EDADLP CC(C)C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631049271 451553756 /nfs/dbraw/zinc/55/37/56/451553756.db2.gz HRPJGAJQZHITOF-GOSISDBHSA-N 2 2 336.476 1.894 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)nc[nH+]2)C1 ZINC000634810976 451566302 /nfs/dbraw/zinc/56/63/02/451566302.db2.gz PJDHUSNKGGVSRZ-CWVYHPPDSA-N 2 2 333.480 1.493 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)[nH+]cn2)C1 ZINC000634810976 451566309 /nfs/dbraw/zinc/56/63/09/451566309.db2.gz PJDHUSNKGGVSRZ-CWVYHPPDSA-N 2 2 333.480 1.493 20 0 EDADLP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)[nH]n1 ZINC000631076553 451570867 /nfs/dbraw/zinc/57/08/67/451570867.db2.gz MUVUXMLVPKPSGO-UHFFFAOYSA-N 2 2 330.432 1.719 20 0 EDADLP CC(C)c1nc2[nH]ccc2c(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000631148678 451610508 /nfs/dbraw/zinc/61/05/08/451610508.db2.gz WRHAMBKEEIBHFI-UHFFFAOYSA-N 2 2 330.480 2.519 20 0 EDADLP COc1ccccc1C[C@](C)(CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000631236237 451655786 /nfs/dbraw/zinc/65/57/86/451655786.db2.gz WWAHAAANVXNEKO-GOSISDBHSA-N 2 2 332.448 1.578 20 0 EDADLP COc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000631246389 451660909 /nfs/dbraw/zinc/66/09/09/451660909.db2.gz BFERFFOOJRZHLW-MRXNPFEDSA-N 2 2 346.475 1.639 20 0 EDADLP COc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000631246389 451660914 /nfs/dbraw/zinc/66/09/14/451660914.db2.gz BFERFFOOJRZHLW-MRXNPFEDSA-N 2 2 346.475 1.639 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638782957 451690387 /nfs/dbraw/zinc/69/03/87/451690387.db2.gz BUGSYXGUBZSHFS-KRWDZBQOSA-N 2 2 342.443 1.494 20 0 EDADLP Cc1cccn2cc(Cn3cc(CC[NH+]4CCC([NH3+])CC4)nn3)[nH+]c12 ZINC000640952226 451702318 /nfs/dbraw/zinc/70/23/18/451702318.db2.gz FSHYWJPHPFUZIK-UHFFFAOYSA-N 3 2 339.447 1.248 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000638737756 451670734 /nfs/dbraw/zinc/67/07/34/451670734.db2.gz WWBAEBKSMXDFEZ-UHFFFAOYSA-N 2 2 327.450 1.424 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000637138439 451739007 /nfs/dbraw/zinc/73/90/07/451739007.db2.gz NPTSFHOSYAMZFL-BQFCYCMXSA-N 2 2 348.491 1.616 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C ZINC000637138439 451739010 /nfs/dbraw/zinc/73/90/10/451739010.db2.gz NPTSFHOSYAMZFL-BQFCYCMXSA-N 2 2 348.491 1.616 20 0 EDADLP COCc1ncsc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984985 451746035 /nfs/dbraw/zinc/74/60/35/451746035.db2.gz WXGUTCXJKFHJQH-UHFFFAOYSA-N 2 2 333.417 1.346 20 0 EDADLP C[N@H+](Cc1cc2c(cn1)OCCO2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172015 451784742 /nfs/dbraw/zinc/78/47/42/451784742.db2.gz GBVBJQQESJGRHZ-KRWDZBQOSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@@H+](Cc1cc2c(cn1)OCCO2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172015 451784743 /nfs/dbraw/zinc/78/47/43/451784743.db2.gz GBVBJQQESJGRHZ-KRWDZBQOSA-N 2 2 346.475 1.453 20 0 EDADLP CN(Cc1cc2c(cn1)OCCO2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639172015 451784744 /nfs/dbraw/zinc/78/47/44/451784744.db2.gz GBVBJQQESJGRHZ-KRWDZBQOSA-N 2 2 346.475 1.453 20 0 EDADLP CN(Cc1cc2c(cn1)OCCO2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639172015 451784745 /nfs/dbraw/zinc/78/47/45/451784745.db2.gz GBVBJQQESJGRHZ-KRWDZBQOSA-N 2 2 346.475 1.453 20 0 EDADLP CC[N@H+](C)C[C@H](O)Cn1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641223973 451789341 /nfs/dbraw/zinc/78/93/41/451789341.db2.gz VYXGJBAONXMMMU-INIZCTEOSA-N 2 2 342.447 1.606 20 0 EDADLP CC[N@@H+](C)C[C@H](O)Cn1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641223973 451789342 /nfs/dbraw/zinc/78/93/42/451789342.db2.gz VYXGJBAONXMMMU-INIZCTEOSA-N 2 2 342.447 1.606 20 0 EDADLP C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639241341 451797187 /nfs/dbraw/zinc/79/71/87/451797187.db2.gz JTBKUEIASKDRMJ-AEFFLSMTSA-N 2 2 334.460 1.600 20 0 EDADLP C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639241341 451797188 /nfs/dbraw/zinc/79/71/88/451797188.db2.gz JTBKUEIASKDRMJ-AEFFLSMTSA-N 2 2 334.460 1.600 20 0 EDADLP Cn1cc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)nn1 ZINC000639318119 451823358 /nfs/dbraw/zinc/82/33/58/451823358.db2.gz CAVARLUJSTYCSS-UHFFFAOYSA-N 2 2 345.447 1.158 20 0 EDADLP Cn1cc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)nn1 ZINC000639318119 451823363 /nfs/dbraw/zinc/82/33/63/451823363.db2.gz CAVARLUJSTYCSS-UHFFFAOYSA-N 2 2 345.447 1.158 20 0 EDADLP CC(=O)Nc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000644514953 451834513 /nfs/dbraw/zinc/83/45/13/451834513.db2.gz SVXBXDPXBRGFPV-DEYYWGMASA-N 2 2 335.448 1.205 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639476518 451886819 /nfs/dbraw/zinc/88/68/19/451886819.db2.gz NTCMWGSJWVPPRR-HNNXBMFYSA-N 2 2 333.480 1.028 20 0 EDADLP CCCCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000649224838 451916095 /nfs/dbraw/zinc/91/60/95/451916095.db2.gz LABYRMRLUPAVEP-GOSISDBHSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000649224838 451916098 /nfs/dbraw/zinc/91/60/98/451916098.db2.gz LABYRMRLUPAVEP-GOSISDBHSA-N 2 2 338.540 1.783 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000637511496 451916645 /nfs/dbraw/zinc/91/66/45/451916645.db2.gz UYACLDYNCSTUCU-DOTOQJQBSA-N 2 2 338.496 1.221 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000637511496 451916651 /nfs/dbraw/zinc/91/66/51/451916651.db2.gz UYACLDYNCSTUCU-DOTOQJQBSA-N 2 2 338.496 1.221 20 0 EDADLP O[C@]1(C(F)(F)F)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639515811 451918647 /nfs/dbraw/zinc/91/86/47/451918647.db2.gz YHHUWSSAYNJTNX-JKSUJKDBSA-N 2 2 344.377 1.623 20 0 EDADLP O[C@]1(C(F)(F)F)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639515811 451918649 /nfs/dbraw/zinc/91/86/49/451918649.db2.gz YHHUWSSAYNJTNX-JKSUJKDBSA-N 2 2 344.377 1.623 20 0 EDADLP O[C@]1(C(F)(F)F)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639515811 451918657 /nfs/dbraw/zinc/91/86/57/451918657.db2.gz YHHUWSSAYNJTNX-JKSUJKDBSA-N 2 2 344.377 1.623 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641405672 451943751 /nfs/dbraw/zinc/94/37/51/451943751.db2.gz GDGNGPQWFUDKRJ-ZIAGYGMSSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641405672 451943753 /nfs/dbraw/zinc/94/37/53/451943753.db2.gz GDGNGPQWFUDKRJ-ZIAGYGMSSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)CN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641405672 451943757 /nfs/dbraw/zinc/94/37/57/451943757.db2.gz GDGNGPQWFUDKRJ-ZIAGYGMSSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)CN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641405672 451943762 /nfs/dbraw/zinc/94/37/62/451943762.db2.gz GDGNGPQWFUDKRJ-ZIAGYGMSSA-N 2 2 337.489 1.388 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649279325 451951143 /nfs/dbraw/zinc/95/11/43/451951143.db2.gz GBBOUDGDSJDWGL-WMLDXEAASA-N 2 2 333.432 1.018 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000637661613 452005359 /nfs/dbraw/zinc/00/53/59/452005359.db2.gz AGXPBHRKLUDEIP-CVEARBPZSA-N 2 2 331.464 1.469 20 0 EDADLP Cn1cc([C@H]2C[N@H+](CCc3c[nH+]cn3C)CC23CCOCC3)cn1 ZINC000639661491 452007376 /nfs/dbraw/zinc/00/73/76/452007376.db2.gz YCMMIHMGESFMNE-QGZVFWFLSA-N 2 2 329.448 1.592 20 0 EDADLP Cn1cc([C@H]2C[N@@H+](CCc3c[nH+]cn3C)CC23CCOCC3)cn1 ZINC000639661491 452007381 /nfs/dbraw/zinc/00/73/81/452007381.db2.gz YCMMIHMGESFMNE-QGZVFWFLSA-N 2 2 329.448 1.592 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000649335791 452016394 /nfs/dbraw/zinc/01/63/94/452016394.db2.gz YYDJWPJHWKVXNA-IRXDYDNUSA-N 2 2 345.491 1.241 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641490004 452021131 /nfs/dbraw/zinc/02/11/31/452021131.db2.gz BOWWUPQEGVFQRN-UHFFFAOYSA-N 2 2 328.482 1.411 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000641492803 452024352 /nfs/dbraw/zinc/02/43/52/452024352.db2.gz GISCJXHAKJUOFE-UAGQMJEPSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000641492803 452024356 /nfs/dbraw/zinc/02/43/56/452024356.db2.gz GISCJXHAKJUOFE-UAGQMJEPSA-N 3 2 339.528 1.312 20 0 EDADLP Cc1cc(CNS(=O)(=O)CCn2cc[nH+]c2)cc(N2CCCC2)[nH+]1 ZINC000641500152 452032064 /nfs/dbraw/zinc/03/20/64/452032064.db2.gz DVYSNTQULDRDEW-UHFFFAOYSA-N 2 2 349.460 1.306 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)C3CCC([NH3+])CC3)c2)CC1 ZINC000649351647 452035099 /nfs/dbraw/zinc/03/50/99/452035099.db2.gz FRFLCEXKMZJCRT-UHFFFAOYSA-N 2 2 330.476 1.890 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000644863994 452036829 /nfs/dbraw/zinc/03/68/29/452036829.db2.gz XQWCFIYGKHOLRR-HNNXBMFYSA-N 2 2 345.422 1.631 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000644863994 452036837 /nfs/dbraw/zinc/03/68/37/452036837.db2.gz XQWCFIYGKHOLRR-HNNXBMFYSA-N 2 2 345.422 1.631 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000653664560 452067122 /nfs/dbraw/zinc/06/71/22/452067122.db2.gz GSUWNENBRUENTA-MRXNPFEDSA-N 2 2 325.428 1.281 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000653664560 452067126 /nfs/dbraw/zinc/06/71/26/452067126.db2.gz GSUWNENBRUENTA-MRXNPFEDSA-N 2 2 325.428 1.281 20 0 EDADLP CCN1C[C@@H](C[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)Oc2ccccc21 ZINC000649411282 452073343 /nfs/dbraw/zinc/07/33/43/452073343.db2.gz CXVQZYOIAXGBLU-CYBMUJFWSA-N 2 2 345.447 1.983 20 0 EDADLP CCN1C[C@@H](C[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)Oc2ccccc21 ZINC000649411282 452073352 /nfs/dbraw/zinc/07/33/52/452073352.db2.gz CXVQZYOIAXGBLU-CYBMUJFWSA-N 2 2 345.447 1.983 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000649415926 452077413 /nfs/dbraw/zinc/07/74/13/452077413.db2.gz BCOFCXSYSIFMDS-UHFFFAOYSA-N 2 2 334.439 1.288 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000649416058 452077515 /nfs/dbraw/zinc/07/75/15/452077515.db2.gz KORMMDPJEQDJLL-UHFFFAOYSA-N 3 2 330.476 1.144 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCCC[NH+](C)C)cc1 ZINC000643216925 452077518 /nfs/dbraw/zinc/07/75/18/452077518.db2.gz LTUAXSUNMLVGTN-GOSISDBHSA-N 2 2 348.491 1.619 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000644960015 452088337 /nfs/dbraw/zinc/08/83/37/452088337.db2.gz YOVDEWHQJNLVOX-UHFFFAOYSA-N 2 2 327.388 1.517 20 0 EDADLP COc1ncncc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000647168551 452101432 /nfs/dbraw/zinc/10/14/32/452101432.db2.gz AJSJVBIIMQYSGN-UHFFFAOYSA-N 2 2 328.416 1.607 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647168718 452102287 /nfs/dbraw/zinc/10/22/87/452102287.db2.gz IRHSJEWKNYVVIL-UHFFFAOYSA-N 2 2 329.441 1.436 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768119 452109923 /nfs/dbraw/zinc/10/99/23/452109923.db2.gz XKPAIHAJUITQDF-JZXOWHBKSA-N 2 2 325.497 1.555 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768119 452109927 /nfs/dbraw/zinc/10/99/27/452109927.db2.gz XKPAIHAJUITQDF-JZXOWHBKSA-N 2 2 325.497 1.555 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC000645019824 452117354 /nfs/dbraw/zinc/11/73/54/452117354.db2.gz HDYQYPJAWOMOKA-ARFHVFGLSA-N 2 2 329.448 1.396 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC000645019824 452117361 /nfs/dbraw/zinc/11/73/61/452117361.db2.gz HDYQYPJAWOMOKA-ARFHVFGLSA-N 2 2 329.448 1.396 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000649570541 452150991 /nfs/dbraw/zinc/15/09/91/452150991.db2.gz FYEUPHIGSPPEHX-UHFFFAOYSA-N 2 2 348.472 1.846 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000649570541 452150995 /nfs/dbraw/zinc/15/09/95/452150995.db2.gz FYEUPHIGSPPEHX-UHFFFAOYSA-N 2 2 348.472 1.846 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCCC2 ZINC000647289161 452168049 /nfs/dbraw/zinc/16/80/49/452168049.db2.gz FDOPABTXFOATFY-DLBZAZTESA-N 2 2 347.507 1.277 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639855981 452189332 /nfs/dbraw/zinc/18/93/32/452189332.db2.gz QRTNYLQUYORLTP-SFHVURJKSA-N 2 2 338.415 1.673 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639855981 452189336 /nfs/dbraw/zinc/18/93/36/452189336.db2.gz QRTNYLQUYORLTP-SFHVURJKSA-N 2 2 338.415 1.673 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC000649731404 452216272 /nfs/dbraw/zinc/21/62/72/452216272.db2.gz HEPDIGRTNIHOOE-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC000649731404 452216274 /nfs/dbraw/zinc/21/62/74/452216274.db2.gz HEPDIGRTNIHOOE-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CCc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc(C)[nH+]1 ZINC000641719789 452218608 /nfs/dbraw/zinc/21/86/08/452218608.db2.gz WZXRWVLBXYFFHX-QGZVFWFLSA-N 2 2 333.480 1.556 20 0 EDADLP CCc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc(C)[nH+]1 ZINC000641719789 452218615 /nfs/dbraw/zinc/21/86/15/452218615.db2.gz WZXRWVLBXYFFHX-QGZVFWFLSA-N 2 2 333.480 1.556 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000639897056 452223041 /nfs/dbraw/zinc/22/30/41/452223041.db2.gz XIYNCHYSNIGYHQ-ROUUACIJSA-N 2 2 340.508 1.475 20 0 EDADLP CC1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C[NH2+]C1 ZINC000645234004 452226306 /nfs/dbraw/zinc/22/63/06/452226306.db2.gz MGBRBQGDKDJDRU-UHFFFAOYSA-N 2 2 341.377 1.959 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c2nccn21 ZINC000641784963 452254566 /nfs/dbraw/zinc/25/45/66/452254566.db2.gz FUSMLPNNSVKOTM-IKGGRYGDSA-N 2 2 333.480 1.275 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641785564 452256571 /nfs/dbraw/zinc/25/65/71/452256571.db2.gz BZMHYAQUFIMOPM-RTBURBONSA-N 2 2 339.524 1.578 20 0 EDADLP c1c2cccnc2oc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786441 452260430 /nfs/dbraw/zinc/26/04/30/452260430.db2.gz AIANJJLZDULTEW-KRWDZBQOSA-N 2 2 344.459 1.714 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCSCC1 ZINC000641788375 452264070 /nfs/dbraw/zinc/26/40/70/452264070.db2.gz ZHFLOAOBINQHEJ-AEFFLSMTSA-N 2 2 341.565 1.904 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CO)Cc1ccncc1 ZINC000647534003 452268076 /nfs/dbraw/zinc/26/80/76/452268076.db2.gz DJOOTGRTVVUKOQ-RBUKOAKNSA-N 2 2 329.444 1.068 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](CO)Cc1ccncc1 ZINC000647534003 452268081 /nfs/dbraw/zinc/26/80/81/452268081.db2.gz DJOOTGRTVVUKOQ-RBUKOAKNSA-N 2 2 329.444 1.068 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000638024536 452270833 /nfs/dbraw/zinc/27/08/33/452270833.db2.gz UIAVNRUGPKWWNB-UHFFFAOYSA-N 2 2 341.459 1.616 20 0 EDADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000647549118 452277295 /nfs/dbraw/zinc/27/72/95/452277295.db2.gz IVYMMZUIFPHGOY-SNRMKQJTSA-N 3 2 344.503 1.472 20 0 EDADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000647549118 452277298 /nfs/dbraw/zinc/27/72/98/452277298.db2.gz IVYMMZUIFPHGOY-SNRMKQJTSA-N 3 2 344.503 1.472 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000659435680 452280730 /nfs/dbraw/zinc/28/07/30/452280730.db2.gz ZMLAIQMMXKAYRV-RMXPPQQLSA-N 2 2 344.459 1.193 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000659440672 452289601 /nfs/dbraw/zinc/28/96/01/452289601.db2.gz UDQLFXACPXZXBF-RDJZCZTQSA-N 2 2 334.464 1.275 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCCC(C)(C)[NH3+])CC1 ZINC000641814857 452295626 /nfs/dbraw/zinc/29/56/26/452295626.db2.gz PQOHDQDWJMNCDD-UHFFFAOYSA-N 2 2 347.463 1.323 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1OCC(=O)N(C)C ZINC000643537977 452299516 /nfs/dbraw/zinc/29/95/16/452299516.db2.gz VWURWKHKCOUXAP-OFQRWUPVSA-N 2 2 337.439 1.894 20 0 EDADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)ccc1S(C)(=O)=O ZINC000643537900 452300714 /nfs/dbraw/zinc/30/07/14/452300714.db2.gz UIMYIWMVEOONDN-DRZSPHRISA-N 2 2 330.425 1.449 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000652122380 452317234 /nfs/dbraw/zinc/31/72/34/452317234.db2.gz TXZOZESZGJIVTF-OAHLLOKOSA-N 2 2 327.432 1.938 20 0 EDADLP COC[C@]1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC[NH2+]1 ZINC000638050982 452323862 /nfs/dbraw/zinc/32/38/62/452323862.db2.gz ASUKHCQHSPDZND-IBGZPJMESA-N 2 2 347.459 1.616 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665760741 452332208 /nfs/dbraw/zinc/33/22/08/452332208.db2.gz OKDVLGRTJYCHMJ-BBWFWOEESA-N 3 2 341.544 1.383 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665760741 452332214 /nfs/dbraw/zinc/33/22/14/452332214.db2.gz OKDVLGRTJYCHMJ-BBWFWOEESA-N 3 2 341.544 1.383 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665760741 452332221 /nfs/dbraw/zinc/33/22/21/452332221.db2.gz OKDVLGRTJYCHMJ-BBWFWOEESA-N 3 2 341.544 1.383 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@H]1C ZINC000665760741 452332231 /nfs/dbraw/zinc/33/22/31/452332231.db2.gz OKDVLGRTJYCHMJ-BBWFWOEESA-N 3 2 341.544 1.383 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@@]3(C[NH3+])CCCOC3)c[nH+]2)CC1 ZINC000638062833 452359329 /nfs/dbraw/zinc/35/93/29/452359329.db2.gz XQFYFODBKRTJEV-LJQANCHMSA-N 2 2 346.475 1.690 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000638077929 452392930 /nfs/dbraw/zinc/39/29/30/452392930.db2.gz YMLBTDBQCONRKL-IRXDYDNUSA-N 2 2 341.459 1.575 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000638077929 452392937 /nfs/dbraw/zinc/39/29/37/452392937.db2.gz YMLBTDBQCONRKL-IRXDYDNUSA-N 2 2 341.459 1.575 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@H]2CCC[N@@H+]2C2CC2)cn1 ZINC000647687681 452419409 /nfs/dbraw/zinc/41/94/09/452419409.db2.gz UEKHFHBAMPAOBG-QGZVFWFLSA-N 2 2 342.447 1.272 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)[C@H]2CCC[N@H+]2C2CC2)cn1 ZINC000647687681 452419418 /nfs/dbraw/zinc/41/94/18/452419418.db2.gz UEKHFHBAMPAOBG-QGZVFWFLSA-N 2 2 342.447 1.272 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2[nH+]1 ZINC000657675762 452436777 /nfs/dbraw/zinc/43/67/77/452436777.db2.gz FLJGOYCQZZEWEI-OLZOCXBDSA-N 2 2 329.404 1.180 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2[nH+]1 ZINC000657675762 452436785 /nfs/dbraw/zinc/43/67/85/452436785.db2.gz FLJGOYCQZZEWEI-OLZOCXBDSA-N 2 2 329.404 1.180 20 0 EDADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647708870 452444320 /nfs/dbraw/zinc/44/43/20/452444320.db2.gz PAICXUKFAYBPGK-QZTJIDSGSA-N 2 2 340.427 1.213 20 0 EDADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647708870 452444321 /nfs/dbraw/zinc/44/43/21/452444321.db2.gz PAICXUKFAYBPGK-QZTJIDSGSA-N 2 2 340.427 1.213 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)ccc2[nH+]1 ZINC000665951574 452482495 /nfs/dbraw/zinc/48/24/95/452482495.db2.gz OOYKAYWATHZXHN-INIZCTEOSA-N 2 2 343.431 1.706 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)ccc2[nH+]1 ZINC000665951574 452482502 /nfs/dbraw/zinc/48/25/02/452482502.db2.gz OOYKAYWATHZXHN-INIZCTEOSA-N 2 2 343.431 1.706 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652320832 452495323 /nfs/dbraw/zinc/49/53/23/452495323.db2.gz NJOBVTIYJPJYFU-UHFFFAOYSA-N 2 2 331.464 1.611 20 0 EDADLP COc1ccc(CNC(=O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655701006 452521115 /nfs/dbraw/zinc/52/11/15/452521115.db2.gz OHYBTSGUUGQNIP-KRWDZBQOSA-N 2 2 347.459 1.154 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000663791433 452521672 /nfs/dbraw/zinc/52/16/72/452521672.db2.gz JWAXDUFDCYOORE-QZWWFDLISA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000663791433 452521677 /nfs/dbraw/zinc/52/16/77/452521677.db2.gz JWAXDUFDCYOORE-QZWWFDLISA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000663791433 452521687 /nfs/dbraw/zinc/52/16/87/452521687.db2.gz JWAXDUFDCYOORE-QZWWFDLISA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000663791433 452521700 /nfs/dbraw/zinc/52/17/00/452521700.db2.gz JWAXDUFDCYOORE-QZWWFDLISA-N 2 2 340.512 1.515 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350206 452526478 /nfs/dbraw/zinc/52/64/78/452526478.db2.gz MBKRCWHQHXNPLY-KSSFIOAISA-N 2 2 330.432 1.644 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350206 452526485 /nfs/dbraw/zinc/52/64/85/452526485.db2.gz MBKRCWHQHXNPLY-KSSFIOAISA-N 2 2 330.432 1.644 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655708757 452527026 /nfs/dbraw/zinc/52/70/26/452527026.db2.gz OFLWAZAUZKIFBX-HKUYNNGSSA-N 3 2 338.540 1.103 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCc2ncn(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000647800594 452531483 /nfs/dbraw/zinc/53/14/83/452531483.db2.gz GMTMNDCHMNLKNH-SJLPKXTDSA-N 2 2 329.448 1.839 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655734037 452546024 /nfs/dbraw/zinc/54/60/24/452546024.db2.gz XVNDQRJEJNCDRQ-IPMKNSEASA-N 3 2 337.508 1.207 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NCCc1ccccc1 ZINC000655771653 452569192 /nfs/dbraw/zinc/56/91/92/452569192.db2.gz AMWGJMPHMWWZTQ-LPHOPBHVSA-N 2 2 345.487 1.577 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1OC(F)F ZINC000647835369 452570952 /nfs/dbraw/zinc/57/09/52/452570952.db2.gz VUYKANQDCVPJOE-UHFFFAOYSA-N 2 2 342.390 1.064 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1OC(F)F ZINC000647835369 452570957 /nfs/dbraw/zinc/57/09/57/452570957.db2.gz VUYKANQDCVPJOE-UHFFFAOYSA-N 2 2 342.390 1.064 20 0 EDADLP CCOC1CCC([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000657865012 452576860 /nfs/dbraw/zinc/57/68/60/452576860.db2.gz PHGADLJKKKZZPR-OFLPRAFFSA-N 2 2 325.497 1.866 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000663851287 452578688 /nfs/dbraw/zinc/57/86/88/452578688.db2.gz UQNJDVVDWHGVDP-UHFFFAOYSA-N 3 2 347.507 1.185 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000663851287 452578700 /nfs/dbraw/zinc/57/87/00/452578700.db2.gz UQNJDVVDWHGVDP-UHFFFAOYSA-N 3 2 347.507 1.185 20 0 EDADLP CN(CCC[NH+](C)C)CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000663851287 452578708 /nfs/dbraw/zinc/57/87/08/452578708.db2.gz UQNJDVVDWHGVDP-UHFFFAOYSA-N 2 2 347.507 1.185 20 0 EDADLP Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647886694 452625811 /nfs/dbraw/zinc/62/58/11/452625811.db2.gz LTFHQLNDQUVSBZ-IAGOWNOFSA-N 2 2 331.460 1.516 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000666132571 452629642 /nfs/dbraw/zinc/62/96/42/452629642.db2.gz YBVSEWSWASDDSG-OAHLLOKOSA-N 2 2 331.420 1.909 20 0 EDADLP COc1ccc(CCNC(=O)[C@H](C)[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647925456 452662941 /nfs/dbraw/zinc/66/29/41/452662941.db2.gz JULDCVRDKCVCQB-AWEZNQCLSA-N 2 2 349.475 1.564 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[N@H+](C)C1CC1 ZINC000664000213 452701397 /nfs/dbraw/zinc/70/13/97/452701397.db2.gz XBYIKIDNIOZFOO-JSGCOSHPSA-N 2 2 337.468 1.262 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[N@@H+](C)C1CC1 ZINC000664000213 452701401 /nfs/dbraw/zinc/70/14/01/452701401.db2.gz XBYIKIDNIOZFOO-JSGCOSHPSA-N 2 2 337.468 1.262 20 0 EDADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[C@H]1CCOC1 ZINC000658075622 452716065 /nfs/dbraw/zinc/71/60/65/452716065.db2.gz IPECRSUJAVFEOM-RNIPGJKVSA-N 2 2 333.476 1.933 20 0 EDADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)[C@H]1CCOC1 ZINC000658075622 452716073 /nfs/dbraw/zinc/71/60/73/452716073.db2.gz IPECRSUJAVFEOM-RNIPGJKVSA-N 2 2 333.476 1.933 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000652523385 452722462 /nfs/dbraw/zinc/72/24/62/452722462.db2.gz OGBIPPQLKHECJF-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000652523385 452722466 /nfs/dbraw/zinc/72/24/66/452722466.db2.gz OGBIPPQLKHECJF-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000652523385 452722472 /nfs/dbraw/zinc/72/24/72/452722472.db2.gz OGBIPPQLKHECJF-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000652523385 452722477 /nfs/dbraw/zinc/72/24/77/452722477.db2.gz OGBIPPQLKHECJF-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCOCC1 ZINC000666262155 452725799 /nfs/dbraw/zinc/72/57/99/452725799.db2.gz MJEWZZXJNBZXJO-YJBOKZPZSA-N 2 2 348.491 1.768 20 0 EDADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCC(F)CC1 ZINC000662006816 452757551 /nfs/dbraw/zinc/75/75/51/452757551.db2.gz SUZLVTUKEYWUEB-FHERZECASA-N 2 2 343.487 1.720 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000648032308 452769455 /nfs/dbraw/zinc/76/94/55/452769455.db2.gz ANZGTDGCVOTDPV-RHSMWYFYSA-N 2 2 329.448 1.826 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000643885959 452791805 /nfs/dbraw/zinc/79/18/05/452791805.db2.gz CLKYFXJGRDWWRQ-UHFFFAOYSA-N 2 2 326.444 1.908 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072250 452800910 /nfs/dbraw/zinc/80/09/10/452800910.db2.gz TWALLJMLVFZOFK-UHFFFAOYSA-N 3 2 341.459 1.872 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072250 452800918 /nfs/dbraw/zinc/80/09/18/452800918.db2.gz TWALLJMLVFZOFK-UHFFFAOYSA-N 3 2 341.459 1.872 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000664128467 452809053 /nfs/dbraw/zinc/80/90/53/452809053.db2.gz KQRKAOZLWCZIRN-TZMCWYRMSA-N 2 2 335.452 1.016 20 0 EDADLP O=C(C[N@@H+]1CCC2(COC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662076748 452823366 /nfs/dbraw/zinc/82/33/66/452823366.db2.gz TTYFQPBQIGBURX-UHFFFAOYSA-N 2 2 335.473 1.115 20 0 EDADLP O=C(C[N@H+]1CCC2(COC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662076748 452823370 /nfs/dbraw/zinc/82/33/70/452823370.db2.gz TTYFQPBQIGBURX-UHFFFAOYSA-N 2 2 335.473 1.115 20 0 EDADLP CC[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000648166214 452875265 /nfs/dbraw/zinc/87/52/65/452875265.db2.gz ZNSAGWBCRXRBMS-CRAIPNDOSA-N 2 2 343.471 1.052 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000648174570 452885352 /nfs/dbraw/zinc/88/53/52/452885352.db2.gz OEQSAAQIUHAPBR-CABCVRRESA-N 2 2 332.448 1.660 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CCC(C)(C)[NH3+])on1 ZINC000648172953 452885427 /nfs/dbraw/zinc/88/54/27/452885427.db2.gz WHRKPBGFLGPNBQ-KBPBESRZSA-N 2 2 340.443 1.871 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CCC(C)(C)[NH3+])on1 ZINC000648172953 452885432 /nfs/dbraw/zinc/88/54/32/452885432.db2.gz WHRKPBGFLGPNBQ-KBPBESRZSA-N 2 2 340.443 1.871 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC[N@H+]1C ZINC000664215687 452888879 /nfs/dbraw/zinc/88/88/79/452888879.db2.gz CNKMVUAZSGGYAQ-DOTOQJQBSA-N 2 2 338.496 1.223 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000652734921 452895252 /nfs/dbraw/zinc/89/52/52/452895252.db2.gz MHVBFQBSMKHGKJ-HNNXBMFYSA-N 2 2 347.463 1.785 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000652734921 452895260 /nfs/dbraw/zinc/89/52/60/452895260.db2.gz MHVBFQBSMKHGKJ-HNNXBMFYSA-N 2 2 347.463 1.785 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662161455 452902256 /nfs/dbraw/zinc/90/22/56/452902256.db2.gz USOJBBRLIFVVMR-RBUKOAKNSA-N 2 2 348.487 1.574 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662161455 452902262 /nfs/dbraw/zinc/90/22/62/452902262.db2.gz USOJBBRLIFVVMR-RBUKOAKNSA-N 2 2 348.487 1.574 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC[N@H+]3CC=CCC3)cn21 ZINC000645931252 452909640 /nfs/dbraw/zinc/90/96/40/452909640.db2.gz KBYWNOGMPIHVMF-UHFFFAOYSA-N 2 2 327.432 1.746 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC[N@@H+]3CC=CCC3)cn21 ZINC000645931252 452909649 /nfs/dbraw/zinc/90/96/49/452909649.db2.gz KBYWNOGMPIHVMF-UHFFFAOYSA-N 2 2 327.432 1.746 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cn21 ZINC000645932255 452911135 /nfs/dbraw/zinc/91/11/35/452911135.db2.gz ARDOOIHSHQRKJX-QGZVFWFLSA-N 2 2 339.443 1.841 20 0 EDADLP CCc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C ZINC000658427298 452954873 /nfs/dbraw/zinc/95/48/73/452954873.db2.gz AXJDLURYYQTPBR-UHFFFAOYSA-N 2 2 348.491 1.496 20 0 EDADLP CCc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C ZINC000658427298 452954880 /nfs/dbraw/zinc/95/48/80/452954880.db2.gz AXJDLURYYQTPBR-UHFFFAOYSA-N 2 2 348.491 1.496 20 0 EDADLP c1cc(N2CCOCC2)nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)[nH+]1 ZINC000656230664 452976533 /nfs/dbraw/zinc/97/65/33/452976533.db2.gz KMRQIYZXYYWCTL-INIZCTEOSA-N 2 2 347.463 1.004 20 0 EDADLP CN(c1nc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cs1)C1CC1 ZINC000662284421 453007378 /nfs/dbraw/zinc/00/73/78/453007378.db2.gz YDLHWOBHLJOSJJ-HNNXBMFYSA-N 2 2 347.492 1.629 20 0 EDADLP CN(c1nc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cs1)C1CC1 ZINC000662284421 453007384 /nfs/dbraw/zinc/00/73/84/453007384.db2.gz YDLHWOBHLJOSJJ-HNNXBMFYSA-N 2 2 347.492 1.629 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nnn(CC(F)(F)F)n2)C1 ZINC000662283673 453008125 /nfs/dbraw/zinc/00/81/25/453008125.db2.gz JDYLJRQPERGPBJ-GRYCIOLGSA-N 2 2 348.373 1.096 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nnn(CC(F)(F)F)n2)C1 ZINC000662283673 453008132 /nfs/dbraw/zinc/00/81/32/453008132.db2.gz JDYLJRQPERGPBJ-GRYCIOLGSA-N 2 2 348.373 1.096 20 0 EDADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286870 453012561 /nfs/dbraw/zinc/01/25/61/453012561.db2.gz NKAWTYMJSWZKMY-ZDUSSCGKSA-N 2 2 339.867 1.564 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1F ZINC000648370674 453040255 /nfs/dbraw/zinc/04/02/55/453040255.db2.gz QCWUUZYTMORZFQ-AEFFLSMTSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1F ZINC000648370674 453040264 /nfs/dbraw/zinc/04/02/64/453040264.db2.gz QCWUUZYTMORZFQ-AEFFLSMTSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1F ZINC000648370674 453040271 /nfs/dbraw/zinc/04/02/71/453040271.db2.gz QCWUUZYTMORZFQ-AEFFLSMTSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1F ZINC000648370674 453040274 /nfs/dbraw/zinc/04/02/74/453040274.db2.gz QCWUUZYTMORZFQ-AEFFLSMTSA-N 2 2 335.467 1.971 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@]4(CC4(F)F)C3)C2)CC1 ZINC000650876908 453077869 /nfs/dbraw/zinc/07/78/69/453077869.db2.gz JLCXYHWVDFTQAZ-BBRMVZONSA-N 2 2 342.434 1.596 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@]4(CC4(F)F)C3)C2)CC1 ZINC000650876908 453077877 /nfs/dbraw/zinc/07/78/77/453077877.db2.gz JLCXYHWVDFTQAZ-BBRMVZONSA-N 2 2 342.434 1.596 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)c[nH+]1 ZINC000662380936 453090918 /nfs/dbraw/zinc/09/09/18/453090918.db2.gz QTVCSVAQPNNHRV-UHFFFAOYSA-N 2 2 329.404 1.533 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3CC(F)(F)C3)C2)CC1 ZINC000644161448 453092375 /nfs/dbraw/zinc/09/23/75/453092375.db2.gz YVUHOVRSYQYIQZ-CYBMUJFWSA-N 2 2 330.423 1.499 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3CC(F)(F)C3)C2)CC1 ZINC000644161448 453092385 /nfs/dbraw/zinc/09/23/85/453092385.db2.gz YVUHOVRSYQYIQZ-CYBMUJFWSA-N 2 2 330.423 1.499 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102783 453104073 /nfs/dbraw/zinc/10/40/73/453104073.db2.gz RICPUHJLVBOZNR-UHFFFAOYSA-N 2 2 331.460 1.442 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102783 453104078 /nfs/dbraw/zinc/10/40/78/453104078.db2.gz RICPUHJLVBOZNR-UHFFFAOYSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000666754943 453120223 /nfs/dbraw/zinc/12/02/23/453120223.db2.gz XUSNPFBMDDMCMK-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC[NH2+]1 ZINC000660188674 453120928 /nfs/dbraw/zinc/12/09/28/453120928.db2.gz SKALHTKJGVBNGD-MRXNPFEDSA-N 2 2 348.472 1.550 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000655036174 453157117 /nfs/dbraw/zinc/15/71/17/453157117.db2.gz XWLVPNZTZUWCJU-GOSISDBHSA-N 2 2 330.476 1.780 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000655036174 453157127 /nfs/dbraw/zinc/15/71/27/453157127.db2.gz XWLVPNZTZUWCJU-GOSISDBHSA-N 2 2 330.476 1.780 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000655036174 453157133 /nfs/dbraw/zinc/15/71/33/453157133.db2.gz XWLVPNZTZUWCJU-GOSISDBHSA-N 2 2 330.476 1.780 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000655036174 453157142 /nfs/dbraw/zinc/15/71/42/453157142.db2.gz XWLVPNZTZUWCJU-GOSISDBHSA-N 2 2 330.476 1.780 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](C2CC2)C(C)(C)CO)CC1 ZINC000664537332 453176568 /nfs/dbraw/zinc/17/65/68/453176568.db2.gz KYTNDNNAOOPLKO-MRXNPFEDSA-N 2 2 340.512 1.109 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000646182957 453194411 /nfs/dbraw/zinc/19/44/11/453194411.db2.gz SVRNLBJAMXCQRI-HUUCEWRRSA-N 2 2 329.448 1.899 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000660314900 453206509 /nfs/dbraw/zinc/20/65/09/453206509.db2.gz XMVAAWOASCOQLF-GOSISDBHSA-N 2 2 338.467 1.896 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000660314900 453206519 /nfs/dbraw/zinc/20/65/19/453206519.db2.gz XMVAAWOASCOQLF-GOSISDBHSA-N 2 2 338.467 1.896 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656474392 453209251 /nfs/dbraw/zinc/20/92/51/453209251.db2.gz UJQACQMAEUDGKQ-DJIMGWMZSA-N 2 2 327.432 1.717 20 0 EDADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648731067 453218485 /nfs/dbraw/zinc/21/84/85/453218485.db2.gz AMOYXFIITDQFQC-OAHLLOKOSA-N 2 2 349.479 1.067 20 0 EDADLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648731067 453218493 /nfs/dbraw/zinc/21/84/93/453218493.db2.gz AMOYXFIITDQFQC-OAHLLOKOSA-N 2 2 349.479 1.067 20 0 EDADLP Cn1nc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c2ccccc21 ZINC000646215616 453226329 /nfs/dbraw/zinc/22/63/29/453226329.db2.gz DCMBCPMPMUOOPP-UHFFFAOYSA-N 2 2 343.475 1.655 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000653040933 453226181 /nfs/dbraw/zinc/22/61/81/453226181.db2.gz UNWBYAXIKYYCHX-SJORKVTESA-N 2 2 340.427 1.209 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000653040933 453226187 /nfs/dbraw/zinc/22/61/87/453226187.db2.gz UNWBYAXIKYYCHX-SJORKVTESA-N 2 2 340.427 1.209 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000646221438 453233371 /nfs/dbraw/zinc/23/33/71/453233371.db2.gz HEXWIEIGPLJDRC-KRWDZBQOSA-N 2 2 328.416 1.118 20 0 EDADLP CC(=O)Nc1ccc2nc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)sc2c1 ZINC000653063794 453240373 /nfs/dbraw/zinc/24/03/73/453240373.db2.gz XADAFTDUUTXTCX-LLVKDONJSA-N 2 2 335.433 1.472 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn21 ZINC000646234969 453247453 /nfs/dbraw/zinc/24/74/53/453247453.db2.gz XCTDZIQICJDJIB-XIRDDKMYSA-N 2 2 341.459 1.954 20 0 EDADLP COc1cc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc(OC)c1OC ZINC000653068806 453247727 /nfs/dbraw/zinc/24/77/27/453247727.db2.gz RSSSVHKPBWMBIY-WCQYABFASA-N 2 2 339.436 1.169 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1cc(Br)ccc1F ZINC000653076972 453254719 /nfs/dbraw/zinc/25/47/19/453254719.db2.gz KVQXVCTYCVRJSJ-ZDUSSCGKSA-N 2 2 346.244 1.526 20 0 EDADLP CCOCCOc1c(Cl)cccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653077807 453256475 /nfs/dbraw/zinc/25/64/75/453256475.db2.gz LPHFOGYJRQJTFF-CYBMUJFWSA-N 2 2 343.855 1.973 20 0 EDADLP Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653082019 453262914 /nfs/dbraw/zinc/26/29/14/453262914.db2.gz GPORKXBFDYQJTM-OAHLLOKOSA-N 2 2 332.448 1.449 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]([NH3+])COC(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000662537830 453263207 /nfs/dbraw/zinc/26/32/07/453263207.db2.gz QMNHTRKIZKCMLC-ROUUACIJSA-N 2 2 333.476 1.862 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]([NH3+])COC(C)C)CC[N@H+]1Cc1ccccc1 ZINC000662537830 453263210 /nfs/dbraw/zinc/26/32/10/453263210.db2.gz QMNHTRKIZKCMLC-ROUUACIJSA-N 2 2 333.476 1.862 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000653091182 453275374 /nfs/dbraw/zinc/27/53/74/453275374.db2.gz MWUFZAZTXOUVCQ-MSOLQXFVSA-N 2 2 333.476 1.866 20 0 EDADLP CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C12CCCCC2 ZINC000653096247 453279697 /nfs/dbraw/zinc/27/96/97/453279697.db2.gz GWCLMJKDZRWEBX-OWCLPIDISA-N 2 2 325.497 1.852 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000653099090 453281252 /nfs/dbraw/zinc/28/12/52/453281252.db2.gz DOHMBINFNHDVKJ-HNNXBMFYSA-N 2 2 328.416 1.114 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1 ZINC000648801383 453286552 /nfs/dbraw/zinc/28/65/52/453286552.db2.gz SRBGNSIUNNHKCY-IXDOHACOSA-N 2 2 348.491 1.966 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646292612 453293434 /nfs/dbraw/zinc/29/34/34/453293434.db2.gz PFKSJRHMRISYBS-GDBMZVCRSA-N 2 2 343.830 1.706 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646292612 453293447 /nfs/dbraw/zinc/29/34/47/453293447.db2.gz PFKSJRHMRISYBS-GDBMZVCRSA-N 2 2 343.830 1.706 20 0 EDADLP CCCCNc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)nc(N)[nH+]1 ZINC000664658890 453293807 /nfs/dbraw/zinc/29/38/07/453293807.db2.gz UBFXAUBRGCREPU-AWEZNQCLSA-N 2 2 336.484 1.818 20 0 EDADLP CCCCNc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)[nH+]c(N)n1 ZINC000664658890 453293814 /nfs/dbraw/zinc/29/38/14/453293814.db2.gz UBFXAUBRGCREPU-AWEZNQCLSA-N 2 2 336.484 1.818 20 0 EDADLP CC(C)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nc(-c2cccnc2)no1 ZINC000653115797 453303765 /nfs/dbraw/zinc/30/37/65/453303765.db2.gz ZXXWPGVNAXCRAY-UONOGXRCSA-N 2 2 346.435 1.224 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@@H](N)CC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000653117105 453304554 /nfs/dbraw/zinc/30/45/54/453304554.db2.gz AEKVXNBNLAHGSM-YOEHRIQHSA-N 2 2 334.464 1.297 20 0 EDADLP Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)n1 ZINC000653122483 453312515 /nfs/dbraw/zinc/31/25/15/453312515.db2.gz XPLUEVXGFJPRRH-YJBOKZPZSA-N 2 2 343.475 1.945 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000653155683 453346311 /nfs/dbraw/zinc/34/63/11/453346311.db2.gz CBMHCOIXNOUHRA-AWEZNQCLSA-N 2 2 348.274 1.905 20 0 EDADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCN(CC(F)(F)F)CC1 ZINC000653159465 453352439 /nfs/dbraw/zinc/35/24/39/453352439.db2.gz CUJYHZWDRXCTII-DGCLKSJQSA-N 2 2 338.418 1.044 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000655241508 453360168 /nfs/dbraw/zinc/36/01/68/453360168.db2.gz NSTTVXWNMHZUJV-AYDFFVQHSA-N 2 2 334.464 1.368 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000655241508 453360173 /nfs/dbraw/zinc/36/01/73/453360173.db2.gz NSTTVXWNMHZUJV-AYDFFVQHSA-N 2 2 334.464 1.368 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648884552 453360264 /nfs/dbraw/zinc/36/02/64/453360264.db2.gz LRQSAJZKVWZFFN-OAGGEKHMSA-N 2 2 336.480 1.964 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648884552 453360272 /nfs/dbraw/zinc/36/02/72/453360272.db2.gz LRQSAJZKVWZFFN-OAGGEKHMSA-N 2 2 336.480 1.964 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648884551 453361335 /nfs/dbraw/zinc/36/13/35/453361335.db2.gz LRQSAJZKVWZFFN-HRCADAONSA-N 2 2 336.480 1.964 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648884551 453361341 /nfs/dbraw/zinc/36/13/41/453361341.db2.gz LRQSAJZKVWZFFN-HRCADAONSA-N 2 2 336.480 1.964 20 0 EDADLP CCN1C[C@H](C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C)Oc2ccccc21 ZINC000656694419 453369302 /nfs/dbraw/zinc/36/93/02/453369302.db2.gz PENNBDMFFIAKKF-SJORKVTESA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)Oc2ccccc21 ZINC000656694419 453369307 /nfs/dbraw/zinc/36/93/07/453369307.db2.gz PENNBDMFFIAKKF-SJORKVTESA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@H](C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)Oc2ccccc21 ZINC000656694419 453369310 /nfs/dbraw/zinc/36/93/10/453369310.db2.gz PENNBDMFFIAKKF-SJORKVTESA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)Oc2ccccc21 ZINC000656694419 453369313 /nfs/dbraw/zinc/36/93/13/453369313.db2.gz PENNBDMFFIAKKF-SJORKVTESA-N 2 2 335.492 1.907 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3cn4ccccc4[nH+]3)C2)C1 ZINC000653183238 453374052 /nfs/dbraw/zinc/37/40/52/453374052.db2.gz BJXZCGZFYBTHIQ-INMHGKMJSA-N 2 2 342.443 1.622 20 0 EDADLP COC[C@@H](CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)OC ZINC000656706536 453384828 /nfs/dbraw/zinc/38/48/28/453384828.db2.gz YFUPNUSGXCLCGK-HZPDHXFCSA-N 2 2 335.448 1.655 20 0 EDADLP C[C@@H](c1cccc(NC(=O)NC[C@@H]2CCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000667075652 453389543 /nfs/dbraw/zinc/38/95/43/453389543.db2.gz ZSIVEGPZTBYAGW-YOEHRIQHSA-N 2 2 332.448 1.953 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000646448516 453397307 /nfs/dbraw/zinc/39/73/07/453397307.db2.gz AUFCEFXADBBPBP-ZWKOTPCHSA-N 2 2 340.427 1.808 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000646448516 453397313 /nfs/dbraw/zinc/39/73/13/453397313.db2.gz AUFCEFXADBBPBP-ZWKOTPCHSA-N 2 2 340.427 1.808 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])c1c(F)cccc1F ZINC000662733692 453460109 /nfs/dbraw/zinc/46/01/09/453460109.db2.gz JPSZOIDTRPUNBR-GDLCADMTSA-N 2 2 327.375 1.048 20 0 EDADLP CCn1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000651315282 453460591 /nfs/dbraw/zinc/46/05/91/453460591.db2.gz STGYDADWOALSCX-QGZVFWFLSA-N 2 2 333.480 1.072 20 0 EDADLP CCn1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000651315282 453460596 /nfs/dbraw/zinc/46/05/96/453460596.db2.gz STGYDADWOALSCX-QGZVFWFLSA-N 2 2 333.480 1.072 20 0 EDADLP Cn1c[nH+]c(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000656854801 453489374 /nfs/dbraw/zinc/48/93/74/453489374.db2.gz DHIASHVQJKFICL-UHFFFAOYSA-N 2 2 325.372 1.871 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000651346618 453490412 /nfs/dbraw/zinc/49/04/12/453490412.db2.gz DNJAFBIHSUVJMO-QGZVFWFLSA-N 2 2 345.491 1.000 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000651346618 453490418 /nfs/dbraw/zinc/49/04/18/453490418.db2.gz DNJAFBIHSUVJMO-QGZVFWFLSA-N 2 2 345.491 1.000 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCNS(=O)(=O)c1ccccc1)C2 ZINC000660658338 453496565 /nfs/dbraw/zinc/49/65/65/453496565.db2.gz DXAVKCYDJBMJSZ-QGZVFWFLSA-N 2 2 337.489 1.383 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCNS(=O)(=O)c1ccccc1)C2 ZINC000660658338 453496572 /nfs/dbraw/zinc/49/65/72/453496572.db2.gz DXAVKCYDJBMJSZ-QGZVFWFLSA-N 2 2 337.489 1.383 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCNS(=O)(=O)c1ccccc1)C2 ZINC000660658338 453496579 /nfs/dbraw/zinc/49/65/79/453496579.db2.gz DXAVKCYDJBMJSZ-QGZVFWFLSA-N 2 2 337.489 1.383 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCNS(=O)(=O)c1ccccc1)C2 ZINC000660658338 453496585 /nfs/dbraw/zinc/49/65/85/453496585.db2.gz DXAVKCYDJBMJSZ-QGZVFWFLSA-N 2 2 337.489 1.383 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000662792041 453526925 /nfs/dbraw/zinc/52/69/25/453526925.db2.gz URQFVQJPEIMNKA-PBHICJAKSA-N 2 2 337.439 1.783 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655442514 453530580 /nfs/dbraw/zinc/53/05/80/453530580.db2.gz SCCNQPPXTJYVOR-RKVPGOIHSA-N 2 2 349.500 1.627 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)Nc1nn(C)c(C)c1C[NH3+] ZINC000662835743 453562458 /nfs/dbraw/zinc/56/24/58/453562458.db2.gz MMQMKELSXOWIQI-UHFFFAOYSA-N 2 2 326.404 1.738 20 0 EDADLP O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000660760117 453565010 /nfs/dbraw/zinc/56/50/10/453565010.db2.gz MRMLBGXNDJYUCZ-GVDBMIGSSA-N 2 2 335.492 1.260 20 0 EDADLP O=C(C[C@@H]1CC[NH2+]C1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662851025 453570666 /nfs/dbraw/zinc/57/06/66/453570666.db2.gz VEHMNYQHXVKOBS-KSZLIROESA-N 2 2 329.444 1.098 20 0 EDADLP O=C(C[C@@H]1CC[NH2+]C1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662851025 453570671 /nfs/dbraw/zinc/57/06/71/453570671.db2.gz VEHMNYQHXVKOBS-KSZLIROESA-N 2 2 329.444 1.098 20 0 EDADLP CN(C(=O)[C@H]1CCCC[C@]1(C)[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899096 453593910 /nfs/dbraw/zinc/59/39/10/453593910.db2.gz BDGXCMIIVWDQSP-SCTDSRPQSA-N 3 2 336.524 1.521 20 0 EDADLP CN(C(=O)[C@H]1CCCC[C@]1(C)[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899096 453593913 /nfs/dbraw/zinc/59/39/13/453593913.db2.gz BDGXCMIIVWDQSP-SCTDSRPQSA-N 3 2 336.524 1.521 20 0 EDADLP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900168 453594347 /nfs/dbraw/zinc/59/43/47/453594347.db2.gz JRAATRFBDDDIBD-KRWDZBQOSA-N 3 2 342.487 1.530 20 0 EDADLP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900168 453594352 /nfs/dbraw/zinc/59/43/52/453594352.db2.gz JRAATRFBDDDIBD-KRWDZBQOSA-N 3 2 342.487 1.530 20 0 EDADLP CN(C(=O)Cc1cccc(N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899023 453594400 /nfs/dbraw/zinc/59/44/00/453594400.db2.gz ALHRZJZHBRUNMH-GOSISDBHSA-N 2 2 330.476 1.438 20 0 EDADLP CN(C(=O)Cc1cccc(N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899023 453594403 /nfs/dbraw/zinc/59/44/03/453594403.db2.gz ALHRZJZHBRUNMH-GOSISDBHSA-N 2 2 330.476 1.438 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660838095 453598179 /nfs/dbraw/zinc/59/81/79/453598179.db2.gz FNXVZISMYGHIMG-IXDOHACOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660838095 453598180 /nfs/dbraw/zinc/59/81/80/453598180.db2.gz FNXVZISMYGHIMG-IXDOHACOSA-N 2 2 338.496 1.223 20 0 EDADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910127 453598423 /nfs/dbraw/zinc/59/84/23/453598423.db2.gz LCGBHJLHRGZZIJ-IBGZPJMESA-N 2 2 343.471 1.272 20 0 EDADLP Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c[nH+]1 ZINC000659102333 453634195 /nfs/dbraw/zinc/63/41/95/453634195.db2.gz AHNKLHPBHCQHMR-CYBMUJFWSA-N 2 2 331.420 1.126 20 0 EDADLP Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c[nH+]1 ZINC000659102333 453634200 /nfs/dbraw/zinc/63/42/00/453634200.db2.gz AHNKLHPBHCQHMR-CYBMUJFWSA-N 2 2 331.420 1.126 20 0 EDADLP O=C(CC[N@@H+]1C[C@@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000660932315 453651652 /nfs/dbraw/zinc/65/16/52/453651652.db2.gz YQYVQCXZAASVHV-IRXDYDNUSA-N 2 2 328.460 1.995 20 0 EDADLP O=C(CC[N@H+]1C[C@@H]2CCCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000660932315 453651655 /nfs/dbraw/zinc/65/16/55/453651655.db2.gz YQYVQCXZAASVHV-IRXDYDNUSA-N 2 2 328.460 1.995 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660940983 453655593 /nfs/dbraw/zinc/65/55/93/453655593.db2.gz RGYWQECRGPAQGT-OFLPRAFFSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)[C@H](C)CO1 ZINC000665355427 453663528 /nfs/dbraw/zinc/66/35/28/453663528.db2.gz UHTHCHJIIKHULA-RBSFLKMASA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)[C@H](C)CO1 ZINC000665355427 453663532 /nfs/dbraw/zinc/66/35/32/453663532.db2.gz UHTHCHJIIKHULA-RBSFLKMASA-N 2 2 326.485 1.268 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)cc[nH+]1 ZINC000665361343 453667117 /nfs/dbraw/zinc/66/71/17/453667117.db2.gz NUUGJCUTJHYICM-HNNXBMFYSA-N 2 2 346.479 1.489 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)CC2)cc[nH+]1 ZINC000665361343 453667120 /nfs/dbraw/zinc/66/71/20/453667120.db2.gz NUUGJCUTJHYICM-HNNXBMFYSA-N 2 2 346.479 1.489 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000657092804 453675931 /nfs/dbraw/zinc/67/59/31/453675931.db2.gz OIKNZQQXXKZGSU-UHFFFAOYSA-N 2 2 327.494 1.465 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000657092804 453675934 /nfs/dbraw/zinc/67/59/34/453675934.db2.gz OIKNZQQXXKZGSU-UHFFFAOYSA-N 2 2 327.494 1.465 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[NH+](C)CC2(C)C)cc1 ZINC000665463891 453702442 /nfs/dbraw/zinc/70/24/42/453702442.db2.gz QUGHDEKKMUYWKX-KRWDZBQOSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[NH+](C)CC2(C)C)cc1 ZINC000665463891 453702447 /nfs/dbraw/zinc/70/24/47/453702447.db2.gz QUGHDEKKMUYWKX-KRWDZBQOSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[N@H+](C)CC2(C)C)cc1 ZINC000665463891 453702453 /nfs/dbraw/zinc/70/24/53/453702453.db2.gz QUGHDEKKMUYWKX-KRWDZBQOSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[N@@H+](C)CC2(C)C)cc1 ZINC000665463891 453702456 /nfs/dbraw/zinc/70/24/56/453702456.db2.gz QUGHDEKKMUYWKX-KRWDZBQOSA-N 2 2 331.460 1.822 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657332035 453766953 /nfs/dbraw/zinc/76/69/53/453766953.db2.gz CZSGZEMVPNMFIE-UHFFFAOYSA-N 2 2 340.475 1.730 20 0 EDADLP CCOc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)c1 ZINC000657364510 453775018 /nfs/dbraw/zinc/77/50/18/453775018.db2.gz WTRVFZGVRIBHRR-IBGZPJMESA-N 2 2 347.503 1.890 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)[nH+]c1 ZINC000676259605 486713881 /nfs/dbraw/zinc/71/38/81/486713881.db2.gz NSEJKJICIYSLSO-NVXWUHKLSA-N 2 2 346.475 1.442 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)[nH+]c1 ZINC000676259605 486713886 /nfs/dbraw/zinc/71/38/86/486713886.db2.gz NSEJKJICIYSLSO-NVXWUHKLSA-N 2 2 346.475 1.442 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000680329080 486752248 /nfs/dbraw/zinc/75/22/48/486752248.db2.gz ODWPTXLZPHNNBA-QZTJIDSGSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000680329080 486752255 /nfs/dbraw/zinc/75/22/55/486752255.db2.gz ODWPTXLZPHNNBA-QZTJIDSGSA-N 2 2 328.416 1.956 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000680339591 486753759 /nfs/dbraw/zinc/75/37/59/486753759.db2.gz SEJRATMSJKFQSY-LJQANCHMSA-N 2 2 342.418 1.674 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3c(C)cnn3C)CC2)CC1 ZINC000667451660 486787781 /nfs/dbraw/zinc/78/77/81/486787781.db2.gz IRBQXZHRODCBLY-UHFFFAOYSA-N 2 2 348.495 1.752 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3c(C)cnn3C)CC2)CC1 ZINC000667451660 486787787 /nfs/dbraw/zinc/78/77/87/486787787.db2.gz IRBQXZHRODCBLY-UHFFFAOYSA-N 2 2 348.495 1.752 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000672779142 486797800 /nfs/dbraw/zinc/79/78/00/486797800.db2.gz KOSIPISFMTZXME-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676706100 486847308 /nfs/dbraw/zinc/84/73/08/486847308.db2.gz CXJRFVNSHHMXLQ-ROUUACIJSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676706100 486847311 /nfs/dbraw/zinc/84/73/11/486847311.db2.gz CXJRFVNSHHMXLQ-ROUUACIJSA-N 2 2 335.492 1.717 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1c[nH]c[nH+]1 ZINC000683920229 486867559 /nfs/dbraw/zinc/86/75/59/486867559.db2.gz WNLJNLRWWYKATP-HUUCEWRRSA-N 2 2 334.464 1.571 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cnn3ccccc23)CC1 ZINC000672984780 486866064 /nfs/dbraw/zinc/86/60/64/486866064.db2.gz GUMJKUHPLDXCNM-UHFFFAOYSA-N 2 2 344.463 1.160 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000683918160 486866265 /nfs/dbraw/zinc/86/62/65/486866265.db2.gz GOCGUCBOUQLBJU-UHFFFAOYSA-N 2 2 330.432 1.944 20 0 EDADLP CN(C(=O)N[C@@H]1CCCC1(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673206789 486948440 /nfs/dbraw/zinc/94/84/40/486948440.db2.gz ZRXDXICEGZZEEV-LSDHHAIUSA-N 2 2 344.450 1.984 20 0 EDADLP CN(C(=O)N[C@@H]1CCCC1(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673206789 486948443 /nfs/dbraw/zinc/94/84/43/486948443.db2.gz ZRXDXICEGZZEEV-LSDHHAIUSA-N 2 2 344.450 1.984 20 0 EDADLP CN(C(=O)NC[C@H]1CCCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681212656 486975396 /nfs/dbraw/zinc/97/53/96/486975396.db2.gz TUDFWZMZTQALLS-IAGOWNOFSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NC[C@H]1CCCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681212656 486975399 /nfs/dbraw/zinc/97/53/99/486975399.db2.gz TUDFWZMZTQALLS-IAGOWNOFSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681212657 486975110 /nfs/dbraw/zinc/97/51/10/486975110.db2.gz TUDFWZMZTQALLS-IRXDYDNUSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681212657 486975112 /nfs/dbraw/zinc/97/51/12/486975112.db2.gz TUDFWZMZTQALLS-IRXDYDNUSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000677173737 486992824 /nfs/dbraw/zinc/99/28/24/486992824.db2.gz NPWBGSDNHPPFRO-IEBWSBKVSA-N 2 2 344.503 1.528 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000677173737 486992829 /nfs/dbraw/zinc/99/28/29/486992829.db2.gz NPWBGSDNHPPFRO-IEBWSBKVSA-N 2 2 344.503 1.528 20 0 EDADLP COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000667862295 486995544 /nfs/dbraw/zinc/99/55/44/486995544.db2.gz RHGRXXJAVGITSA-WMZOPIPTSA-N 2 2 335.492 1.478 20 0 EDADLP COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000667862295 486995548 /nfs/dbraw/zinc/99/55/48/486995548.db2.gz RHGRXXJAVGITSA-WMZOPIPTSA-N 2 2 335.492 1.478 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c[nH+]1 ZINC000684381802 487044221 /nfs/dbraw/zinc/04/42/21/487044221.db2.gz POOFXRRJZKHZKG-RHSMWYFYSA-N 2 2 327.432 1.840 20 0 EDADLP Cc1c[nH+]cn1C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000684479455 487073174 /nfs/dbraw/zinc/07/31/74/487073174.db2.gz HVCFYYNVLROZBV-UHFFFAOYSA-N 2 2 334.464 1.858 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000673770261 487109378 /nfs/dbraw/zinc/10/93/78/487109378.db2.gz IMHUQVTXMXEYJN-HNNXBMFYSA-N 2 2 341.459 1.969 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000673770261 487109382 /nfs/dbraw/zinc/10/93/82/487109382.db2.gz IMHUQVTXMXEYJN-HNNXBMFYSA-N 2 2 341.459 1.969 20 0 EDADLP CN(Cc1c(C2CC2)cnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668162175 487125085 /nfs/dbraw/zinc/12/50/85/487125085.db2.gz QJCBSAIQCKPPCQ-KRWDZBQOSA-N 2 2 331.508 1.898 20 0 EDADLP CN(Cc1c(C2CC2)cnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668162175 487125086 /nfs/dbraw/zinc/12/50/86/487125086.db2.gz QJCBSAIQCKPPCQ-KRWDZBQOSA-N 2 2 331.508 1.898 20 0 EDADLP Cn1ncc(C2CC2)c1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162175 487125090 /nfs/dbraw/zinc/12/50/90/487125090.db2.gz QJCBSAIQCKPPCQ-KRWDZBQOSA-N 2 2 331.508 1.898 20 0 EDADLP Cn1ncc(C2CC2)c1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162175 487125093 /nfs/dbraw/zinc/12/50/93/487125093.db2.gz QJCBSAIQCKPPCQ-KRWDZBQOSA-N 2 2 331.508 1.898 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC000677732959 487160033 /nfs/dbraw/zinc/16/00/33/487160033.db2.gz QKITYJFJIGDPCC-CQSZACIVSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC000677732959 487160038 /nfs/dbraw/zinc/16/00/38/487160038.db2.gz QKITYJFJIGDPCC-CQSZACIVSA-N 2 2 345.434 1.191 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)[NH+](C)C ZINC000674285531 487228374 /nfs/dbraw/zinc/22/83/74/487228374.db2.gz GSZRYMNBIAYDLF-AWEZNQCLSA-N 2 2 333.432 1.052 20 0 EDADLP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000682133631 487308595 /nfs/dbraw/zinc/30/85/95/487308595.db2.gz ZXKFJLGXXUHSNX-GOSISDBHSA-N 2 2 333.476 1.591 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)c2ccccc2O1 ZINC000682511735 487379332 /nfs/dbraw/zinc/37/93/32/487379332.db2.gz LEDGMEAJNURAMH-CABCVRRESA-N 2 2 340.427 1.801 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)[N@H+](C)C1 ZINC000500382744 487395690 /nfs/dbraw/zinc/39/56/90/487395690.db2.gz XJEZDJBVIIERBW-SQNIBIBYSA-N 2 2 331.460 1.091 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)[N@@H+](C)C1 ZINC000500382744 487395691 /nfs/dbraw/zinc/39/56/91/487395691.db2.gz XJEZDJBVIIERBW-SQNIBIBYSA-N 2 2 331.460 1.091 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)[NH+](C)C1 ZINC000500382744 487395692 /nfs/dbraw/zinc/39/56/92/487395692.db2.gz XJEZDJBVIIERBW-SQNIBIBYSA-N 2 2 331.460 1.091 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)[NH+](C)C1 ZINC000500382744 487395693 /nfs/dbraw/zinc/39/56/93/487395693.db2.gz XJEZDJBVIIERBW-SQNIBIBYSA-N 2 2 331.460 1.091 20 0 EDADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1F ZINC000679290623 487409674 /nfs/dbraw/zinc/40/96/74/487409674.db2.gz XRVQPPLBEBIKQK-PBHICJAKSA-N 2 2 340.487 1.935 20 0 EDADLP CC(C)n1nccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675792570 487444572 /nfs/dbraw/zinc/44/45/72/487444572.db2.gz KWYFVARLRAAHGD-INIZCTEOSA-N 2 2 333.480 1.705 20 0 EDADLP CC(C)n1nccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675792570 487444576 /nfs/dbraw/zinc/44/45/76/487444576.db2.gz KWYFVARLRAAHGD-INIZCTEOSA-N 2 2 333.480 1.705 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000679825902 487466327 /nfs/dbraw/zinc/46/63/27/487466327.db2.gz FYWSJXHJWFBZQS-RBUKOAKNSA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000679825902 487466329 /nfs/dbraw/zinc/46/63/29/487466329.db2.gz FYWSJXHJWFBZQS-RBUKOAKNSA-N 2 2 332.419 1.942 20 0 EDADLP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000679824665 487466634 /nfs/dbraw/zinc/46/66/34/487466634.db2.gz VBKSZXWGCVYAQB-MRXNPFEDSA-N 2 2 334.445 1.789 20 0 EDADLP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000679824665 487466635 /nfs/dbraw/zinc/46/66/35/487466635.db2.gz VBKSZXWGCVYAQB-MRXNPFEDSA-N 2 2 334.445 1.789 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)CCC2 ZINC000669541080 485526153 /nfs/dbraw/zinc/52/61/53/485526153.db2.gz MRJDNSVRTPZLAJ-CAOSSQGBSA-N 2 2 331.464 1.838 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC(=O)N1C ZINC000669718229 485536944 /nfs/dbraw/zinc/53/69/44/485536944.db2.gz OCFHLWBBVSMJJY-INIZCTEOSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC(=O)N1C ZINC000669718229 485536949 /nfs/dbraw/zinc/53/69/49/485536949.db2.gz OCFHLWBBVSMJJY-INIZCTEOSA-N 2 2 331.460 1.824 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)c1 ZINC000668284727 485570860 /nfs/dbraw/zinc/57/08/60/485570860.db2.gz VOXJRJGDKNBWJM-HUUCEWRRSA-N 2 2 341.415 1.276 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000670985593 485609362 /nfs/dbraw/zinc/60/93/62/485609362.db2.gz FFSLZDBYQLPAGC-KSZLIROESA-N 2 2 337.508 1.678 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000670985593 485609367 /nfs/dbraw/zinc/60/93/67/485609367.db2.gz FFSLZDBYQLPAGC-KSZLIROESA-N 2 2 337.508 1.678 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000669092655 485641125 /nfs/dbraw/zinc/64/11/25/485641125.db2.gz UOLRERCVDWSTQL-CQSZACIVSA-N 2 2 349.479 1.144 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000669092655 485641132 /nfs/dbraw/zinc/64/11/32/485641132.db2.gz UOLRERCVDWSTQL-CQSZACIVSA-N 2 2 349.479 1.144 20 0 EDADLP CCc1nocc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000669252191 485858874 /nfs/dbraw/zinc/85/88/74/485858874.db2.gz KGXRWERJKNXEII-UHFFFAOYSA-N 2 2 334.464 1.917 20 0 EDADLP CN(C)C(=O)CN(CC[NH+](C)C)Cc1c[nH+]c2ccc(Cl)cn12 ZINC000668557873 485889697 /nfs/dbraw/zinc/88/96/97/485889697.db2.gz AZLCTSMLOXYUEM-UHFFFAOYSA-N 2 2 337.855 1.440 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ncnc4sccc43)C2)CC1 ZINC000668639540 485981250 /nfs/dbraw/zinc/98/12/50/485981250.db2.gz JLFYWYSUZZGFDI-GFCCVEGCSA-N 2 2 345.472 1.590 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ncnc4sccc43)C2)CC1 ZINC000668639540 485981256 /nfs/dbraw/zinc/98/12/56/485981256.db2.gz JLFYWYSUZZGFDI-GFCCVEGCSA-N 2 2 345.472 1.590 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669388012 486022447 /nfs/dbraw/zinc/02/24/47/486022447.db2.gz STJIWOYHJBDPQQ-GDBMZVCRSA-N 2 2 329.448 1.444 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)[nH+]c2c1 ZINC000669402314 486072162 /nfs/dbraw/zinc/07/21/62/486072162.db2.gz NVYJTIKIHQBSLY-NUEKZKHPSA-N 2 2 327.432 1.912 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000669409066 486096555 /nfs/dbraw/zinc/09/65/55/486096555.db2.gz OFTQACDXTBONID-BBRMVZONSA-N 2 2 329.404 1.130 20 0 EDADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145732 486177150 /nfs/dbraw/zinc/17/71/50/486177150.db2.gz RFRODJDYZINIRL-QAPCUYQASA-N 2 2 327.432 1.562 20 0 EDADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145732 486177160 /nfs/dbraw/zinc/17/71/60/486177160.db2.gz RFRODJDYZINIRL-QAPCUYQASA-N 2 2 327.432 1.562 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145732 486177166 /nfs/dbraw/zinc/17/71/66/486177166.db2.gz RFRODJDYZINIRL-QAPCUYQASA-N 2 2 327.432 1.562 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668776931 486183673 /nfs/dbraw/zinc/18/36/73/486183673.db2.gz OKQXMGXQSAYGIW-OAHLLOKOSA-N 2 2 339.443 1.690 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668776931 486183679 /nfs/dbraw/zinc/18/36/79/486183679.db2.gz OKQXMGXQSAYGIW-OAHLLOKOSA-N 2 2 339.443 1.690 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000668793082 486203169 /nfs/dbraw/zinc/20/31/69/486203169.db2.gz CUQXYSTUJJHLNR-GOEBONIOSA-N 2 2 327.432 1.738 20 0 EDADLP CC[N@H+](CCCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000668809927 486219052 /nfs/dbraw/zinc/21/90/52/486219052.db2.gz ZRNUFHTXISUIPE-NVXWUHKLSA-N 2 2 334.464 1.661 20 0 EDADLP CC[N@@H+](CCCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000668809927 486219054 /nfs/dbraw/zinc/21/90/54/486219054.db2.gz ZRNUFHTXISUIPE-NVXWUHKLSA-N 2 2 334.464 1.661 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(Cl)o2)CC1 ZINC000674027761 486563002 /nfs/dbraw/zinc/56/30/02/486563002.db2.gz WURQOOZYBOTXNK-UHFFFAOYSA-N 2 2 328.844 1.758 20 0 EDADLP C[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000131205986 491212241 /nfs/dbraw/zinc/21/22/41/491212241.db2.gz SIFNXGUBPKLVDE-GDBMZVCRSA-N 2 2 345.451 1.756 20 0 EDADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000133083217 491219281 /nfs/dbraw/zinc/21/92/81/491219281.db2.gz YUHPCTOJSCIFKY-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000133083217 491219284 /nfs/dbraw/zinc/21/92/84/491219284.db2.gz YUHPCTOJSCIFKY-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000290134421 517990002 /nfs/dbraw/zinc/99/00/02/517990002.db2.gz ZRXXXNNZCQSGMX-GFCCVEGCSA-N 2 2 330.388 1.670 20 0 EDADLP O=C(C[C@H]1C[NH2+]CCO1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000571044417 518198887 /nfs/dbraw/zinc/19/88/87/518198887.db2.gz UFCXFLQLOXONEQ-HNNXBMFYSA-N 2 2 342.443 1.723 20 0 EDADLP c1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000176951274 534532137 /nfs/dbraw/zinc/53/21/37/534532137.db2.gz FFAJURRCZPMMOH-INIZCTEOSA-N 2 2 331.464 1.625 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000189734883 528260980 /nfs/dbraw/zinc/26/09/80/528260980.db2.gz OVQVQRMGLGOVDE-WMZOPIPTSA-N 2 2 333.476 1.595 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)[NH+]1CCOCC1 ZINC000173709670 528808344 /nfs/dbraw/zinc/80/83/44/528808344.db2.gz YWMROVFWWATSHF-RDJZCZTQSA-N 2 2 327.513 1.970 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261774276 535236552 /nfs/dbraw/zinc/23/65/52/535236552.db2.gz MMRQXWHYWJGFTP-LJQANCHMSA-N 2 2 333.476 1.900 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261774276 535236556 /nfs/dbraw/zinc/23/65/56/535236556.db2.gz MMRQXWHYWJGFTP-LJQANCHMSA-N 2 2 333.476 1.900 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000083019247 535330268 /nfs/dbraw/zinc/33/02/68/535330268.db2.gz BDYQVKIRESNFCG-UHFFFAOYSA-N 2 2 337.468 1.462 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000264142307 535490251 /nfs/dbraw/zinc/49/02/51/535490251.db2.gz QWGGSCKHFRKPKK-QGZVFWFLSA-N 2 2 337.439 1.345 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000339947032 535530177 /nfs/dbraw/zinc/53/01/77/535530177.db2.gz TUGGGVVXVNUGAZ-CYBMUJFWSA-N 2 2 329.404 1.182 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000339947032 535530178 /nfs/dbraw/zinc/53/01/78/535530178.db2.gz TUGGGVVXVNUGAZ-CYBMUJFWSA-N 2 2 329.404 1.182 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccoc1 ZINC000345094402 536303676 /nfs/dbraw/zinc/30/36/76/536303676.db2.gz WWSJGXWVSYZUFC-UHFFFAOYSA-N 2 2 328.416 1.845 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccoc1 ZINC000345094402 536303681 /nfs/dbraw/zinc/30/36/81/536303681.db2.gz WWSJGXWVSYZUFC-UHFFFAOYSA-N 2 2 328.416 1.845 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C[NH3+])cc3)CC2)CC1 ZINC000237164710 536339696 /nfs/dbraw/zinc/33/96/96/536339696.db2.gz RKOUTNQGPNYGPC-UHFFFAOYSA-N 3 2 330.476 1.434 20 0 EDADLP C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000047826117 536341562 /nfs/dbraw/zinc/34/15/62/536341562.db2.gz NHDBTKDCCRSCBO-SFHVURJKSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000047826117 536341564 /nfs/dbraw/zinc/34/15/64/536341564.db2.gz NHDBTKDCCRSCBO-SFHVURJKSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000353079866 536355886 /nfs/dbraw/zinc/35/58/86/536355886.db2.gz VHBXDBBOOSLQPQ-KRWDZBQOSA-N 2 2 349.479 1.418 20 0 EDADLP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000353079866 536355888 /nfs/dbraw/zinc/35/58/88/536355888.db2.gz VHBXDBBOOSLQPQ-KRWDZBQOSA-N 2 2 349.479 1.418 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261930959 536399914 /nfs/dbraw/zinc/39/99/14/536399914.db2.gz ZUANBTWVNXCFCV-QGZVFWFLSA-N 2 2 339.867 1.848 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261930959 536399918 /nfs/dbraw/zinc/39/99/18/536399918.db2.gz ZUANBTWVNXCFCV-QGZVFWFLSA-N 2 2 339.867 1.848 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+](CCO)Cc3ccccc3)cn2)CC1 ZINC000271033389 536426243 /nfs/dbraw/zinc/42/62/43/536426243.db2.gz ZULPRKBWMBRZJQ-UHFFFAOYSA-N 2 2 341.459 1.223 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+](CCO)Cc3ccccc3)cn2)CC1 ZINC000271033389 536426245 /nfs/dbraw/zinc/42/62/45/536426245.db2.gz ZULPRKBWMBRZJQ-UHFFFAOYSA-N 2 2 341.459 1.223 20 0 EDADLP COC(=O)c1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000332387241 536869776 /nfs/dbraw/zinc/86/97/76/536869776.db2.gz JRLJKCHIVZCWGX-CYBMUJFWSA-N 2 2 348.447 1.042 20 0 EDADLP COC(=O)c1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000332387241 536869783 /nfs/dbraw/zinc/86/97/83/536869783.db2.gz JRLJKCHIVZCWGX-CYBMUJFWSA-N 2 2 348.447 1.042 20 0 EDADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2CCO[C@H](C)C2)c1 ZINC000726259505 578340365 /nfs/dbraw/zinc/34/03/65/578340365.db2.gz VRAQCIXZBATSRS-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2CCO[C@H](C)C2)c1 ZINC000726259505 578340367 /nfs/dbraw/zinc/34/03/67/578340367.db2.gz VRAQCIXZBATSRS-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000726259505 578340369 /nfs/dbraw/zinc/34/03/69/578340369.db2.gz VRAQCIXZBATSRS-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000726259505 578340370 /nfs/dbraw/zinc/34/03/70/578340370.db2.gz VRAQCIXZBATSRS-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP Cc1cc(N2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)nc(N)[nH+]1 ZINC000728568974 578548904 /nfs/dbraw/zinc/54/89/04/578548904.db2.gz CVPFZJVXJXKVRY-UHFFFAOYSA-N 2 2 346.479 1.280 20 0 EDADLP C[C@@H](CNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000729590707 578583129 /nfs/dbraw/zinc/58/31/29/578583129.db2.gz SOPDJASNTUBUBM-INIZCTEOSA-N 2 2 348.491 1.610 20 0 EDADLP CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000729919830 578599306 /nfs/dbraw/zinc/59/93/06/578599306.db2.gz FUGZPCCYYUQUAZ-NVXWUHKLSA-N 2 2 349.456 1.657 20 0 EDADLP CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000729919830 578599307 /nfs/dbraw/zinc/59/93/07/578599307.db2.gz FUGZPCCYYUQUAZ-NVXWUHKLSA-N 2 2 349.456 1.657 20 0 EDADLP NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920602 578599557 /nfs/dbraw/zinc/59/95/57/578599557.db2.gz MVRHTNFVNWWXCK-LBPRGKRZSA-N 2 2 347.444 1.709 20 0 EDADLP NC(=O)c1ccsc1NC(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920602 578599559 /nfs/dbraw/zinc/59/95/59/578599559.db2.gz MVRHTNFVNWWXCK-LBPRGKRZSA-N 2 2 347.444 1.709 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc[nH]1 ZINC000760311726 580027823 /nfs/dbraw/zinc/02/78/23/580027823.db2.gz SVPNTUNLEZUORX-AWEZNQCLSA-N 2 2 333.480 1.934 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000731842378 578681165 /nfs/dbraw/zinc/68/11/65/578681165.db2.gz DMNQEOVAPGRQGF-RBUKOAKNSA-N 2 2 335.467 1.961 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000731842378 578681166 /nfs/dbraw/zinc/68/11/66/578681166.db2.gz DMNQEOVAPGRQGF-RBUKOAKNSA-N 2 2 335.467 1.961 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000788042878 578694214 /nfs/dbraw/zinc/69/42/14/578694214.db2.gz PUHDFOLWHIUQKI-HNNXBMFYSA-N 2 2 330.388 1.533 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000788042878 578694215 /nfs/dbraw/zinc/69/42/15/578694215.db2.gz PUHDFOLWHIUQKI-HNNXBMFYSA-N 2 2 330.388 1.533 20 0 EDADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735330647 578876703 /nfs/dbraw/zinc/87/67/03/578876703.db2.gz GQGCNFFAATWKDR-SJLPKXTDSA-N 2 2 333.476 1.595 20 0 EDADLP CCC[NH+](C)CC(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735330647 578876704 /nfs/dbraw/zinc/87/67/04/578876704.db2.gz GQGCNFFAATWKDR-SJLPKXTDSA-N 2 2 333.476 1.595 20 0 EDADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735330647 578876705 /nfs/dbraw/zinc/87/67/05/578876705.db2.gz GQGCNFFAATWKDR-SJLPKXTDSA-N 2 2 333.476 1.595 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000736657045 579010397 /nfs/dbraw/zinc/01/03/97/579010397.db2.gz PDJSLFVEQNMCHQ-INIZCTEOSA-N 2 2 343.431 1.392 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000736657045 579010398 /nfs/dbraw/zinc/01/03/98/579010398.db2.gz PDJSLFVEQNMCHQ-INIZCTEOSA-N 2 2 343.431 1.392 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737007634 579040061 /nfs/dbraw/zinc/04/00/61/579040061.db2.gz OVSLUEMXDMBHCG-CYBMUJFWSA-N 2 2 330.436 1.628 20 0 EDADLP O=C1NC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738157793 579166156 /nfs/dbraw/zinc/16/61/56/579166156.db2.gz JGUVQSFMUJNPSH-CQSZACIVSA-N 2 2 331.420 1.732 20 0 EDADLP O=C1NC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738157793 579166157 /nfs/dbraw/zinc/16/61/57/579166157.db2.gz JGUVQSFMUJNPSH-CQSZACIVSA-N 2 2 331.420 1.732 20 0 EDADLP CCn1cnn(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1=S ZINC000744439811 579510910 /nfs/dbraw/zinc/51/09/10/579510910.db2.gz BBOOPIWIGVBKOR-UHFFFAOYSA-N 2 2 339.509 1.968 20 0 EDADLP CC(C)C[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000755788758 579935126 /nfs/dbraw/zinc/93/51/26/579935126.db2.gz HXCUVHPBIKUUDJ-KSSFIOAISA-N 2 2 332.448 1.978 20 0 EDADLP CC(C)C[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000755788758 579935127 /nfs/dbraw/zinc/93/51/27/579935127.db2.gz HXCUVHPBIKUUDJ-KSSFIOAISA-N 2 2 332.448 1.978 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000756282287 579947297 /nfs/dbraw/zinc/94/72/97/579947297.db2.gz WVNJGFUNNDWXAT-UHFFFAOYSA-N 2 2 331.420 1.356 20 0 EDADLP C[N@H+](CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CCSC1 ZINC000763963385 580109209 /nfs/dbraw/zinc/10/92/09/580109209.db2.gz KREOOVBZDOUNLQ-AWEZNQCLSA-N 2 2 331.445 1.321 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CCSC1 ZINC000763963385 580109210 /nfs/dbraw/zinc/10/92/10/580109210.db2.gz KREOOVBZDOUNLQ-AWEZNQCLSA-N 2 2 331.445 1.321 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000765646861 580147234 /nfs/dbraw/zinc/14/72/34/580147234.db2.gz KOBINCDBJDXINI-HUUCEWRRSA-N 2 2 342.447 1.891 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000765646861 580147235 /nfs/dbraw/zinc/14/72/35/580147235.db2.gz KOBINCDBJDXINI-HUUCEWRRSA-N 2 2 342.447 1.891 20 0 EDADLP O=C1C[C@@H](c2cccnc2)CN1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000765694150 580148840 /nfs/dbraw/zinc/14/88/40/580148840.db2.gz NKTFSBKLKPCFCP-IAGOWNOFSA-N 2 2 325.416 1.889 20 0 EDADLP O=C1C[C@@H](c2cccnc2)CN1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000765694150 580148841 /nfs/dbraw/zinc/14/88/41/580148841.db2.gz NKTFSBKLKPCFCP-IAGOWNOFSA-N 2 2 325.416 1.889 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccnc1Cl ZINC000766023960 580156880 /nfs/dbraw/zinc/15/68/80/580156880.db2.gz SNJDZHPQVBQLON-GJZGRUSLSA-N 2 2 338.883 1.792 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccnc(Cl)c1 ZINC000766024022 580156936 /nfs/dbraw/zinc/15/69/36/580156936.db2.gz VLISZLDQHSVUCK-HOCLYGCPSA-N 2 2 338.883 1.792 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000767802724 580200203 /nfs/dbraw/zinc/20/02/03/580200203.db2.gz YGUVMAUEKSPGLD-BZUAXINKSA-N 2 2 347.463 1.172 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000767802724 580200204 /nfs/dbraw/zinc/20/02/04/580200204.db2.gz YGUVMAUEKSPGLD-BZUAXINKSA-N 2 2 347.463 1.172 20 0 EDADLP CSCC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771767196 580293263 /nfs/dbraw/zinc/29/32/63/580293263.db2.gz LAPOPXBPRCRNOW-GDBMZVCRSA-N 2 2 342.553 1.938 20 0 EDADLP CSCC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771767196 580293264 /nfs/dbraw/zinc/29/32/64/580293264.db2.gz LAPOPXBPRCRNOW-GDBMZVCRSA-N 2 2 342.553 1.938 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)c1 ZINC000774661262 580369308 /nfs/dbraw/zinc/36/93/08/580369308.db2.gz OUWIUNPYTJZBKV-UHFFFAOYSA-N 2 2 330.354 1.581 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000775683798 580397222 /nfs/dbraw/zinc/39/72/22/580397222.db2.gz VHBDUXOPVWTBRB-UHFFFAOYSA-N 2 2 337.468 1.936 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000776842223 580429909 /nfs/dbraw/zinc/42/99/09/580429909.db2.gz VGFBQPPJHZKYQX-UHFFFAOYSA-N 3 2 336.399 1.733 20 0 EDADLP CC[C@H](CO)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000779822307 580498564 /nfs/dbraw/zinc/49/85/64/580498564.db2.gz NPSUFAAZVHHXCD-BPQIPLTHSA-N 2 2 339.524 1.801 20 0 EDADLP CC[C@H](CO)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000779822307 580498565 /nfs/dbraw/zinc/49/85/65/580498565.db2.gz NPSUFAAZVHHXCD-BPQIPLTHSA-N 2 2 339.524 1.801 20 0 EDADLP OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000782074893 580565650 /nfs/dbraw/zinc/56/56/50/580565650.db2.gz AWHLBCSZSIJHRK-LSDHHAIUSA-N 2 2 343.265 1.529 20 0 EDADLP Cc1noc([C@H]2CCC[N@@H+](CN3C[C@@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000783979004 580609817 /nfs/dbraw/zinc/60/98/17/580609817.db2.gz UVFAQJGPXVIVGO-KBPBESRZSA-N 2 2 344.419 1.265 20 0 EDADLP Cc1noc([C@H]2CCC[N@H+](CN3C[C@@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000783979004 580609818 /nfs/dbraw/zinc/60/98/18/580609818.db2.gz UVFAQJGPXVIVGO-KBPBESRZSA-N 2 2 344.419 1.265 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989709 580610497 /nfs/dbraw/zinc/61/04/97/580610497.db2.gz IANKFWXLNSOSNF-DLBZAZTESA-N 3 2 345.491 1.357 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989709 580610498 /nfs/dbraw/zinc/61/04/98/580610498.db2.gz IANKFWXLNSOSNF-DLBZAZTESA-N 3 2 345.491 1.357 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000783989745 580610596 /nfs/dbraw/zinc/61/05/96/580610596.db2.gz IRTGVFRJYISBGO-BZUAXINKSA-N 2 2 332.448 1.442 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000783989745 580610597 /nfs/dbraw/zinc/61/05/97/580610597.db2.gz IRTGVFRJYISBGO-BZUAXINKSA-N 2 2 332.448 1.442 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000787750580 580704013 /nfs/dbraw/zinc/70/40/13/580704013.db2.gz FNBQHOSOAIEZKJ-ZIAGYGMSSA-N 2 2 336.867 1.899 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000787750580 580704014 /nfs/dbraw/zinc/70/40/14/580704014.db2.gz FNBQHOSOAIEZKJ-ZIAGYGMSSA-N 2 2 336.867 1.899 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000794562178 580897787 /nfs/dbraw/zinc/89/77/87/580897787.db2.gz MGABMKVQCGBHCD-OAHLLOKOSA-N 2 2 326.485 1.175 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000794562178 580897788 /nfs/dbraw/zinc/89/77/88/580897788.db2.gz MGABMKVQCGBHCD-OAHLLOKOSA-N 2 2 326.485 1.175 20 0 EDADLP CCC[C@]12CCCN1C(=O)N([C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2=O ZINC000794775283 580905607 /nfs/dbraw/zinc/90/56/07/580905607.db2.gz HHISWQIEYMVXPL-QFBILLFUSA-N 2 2 348.491 1.752 20 0 EDADLP CCC[C@]12CCCN1C(=O)N([C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2=O ZINC000794775283 580905608 /nfs/dbraw/zinc/90/56/08/580905608.db2.gz HHISWQIEYMVXPL-QFBILLFUSA-N 2 2 348.491 1.752 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799323800 581025594 /nfs/dbraw/zinc/02/55/94/581025594.db2.gz CUQJDIAYJFGAPD-INIZCTEOSA-N 2 2 332.379 1.480 20 0 EDADLP c1cc(-c2nn[nH]n2)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000738413330 598837825 /nfs/dbraw/zinc/83/78/25/598837825.db2.gz UADSQXZWQMGXGC-KRWDZBQOSA-N 2 2 342.447 1.600 20 0 EDADLP C[C@@H](O)C[C@@H](C)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893043383 590632434 /nfs/dbraw/zinc/63/24/34/590632434.db2.gz XAWHTTREBXWSME-HUUCEWRRSA-N 2 2 343.512 1.972 20 0 EDADLP C[C@@H]1CN(c2nc(N)[nH+]c(C(C)(C)C)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000893046757 590635084 /nfs/dbraw/zinc/63/50/84/590635084.db2.gz HXDUNOBDKGWMOU-ZIAGYGMSSA-N 2 2 347.511 1.214 20 0 EDADLP CN(C(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000891846233 590651790 /nfs/dbraw/zinc/65/17/90/590651790.db2.gz YGNWKSGWWICQDU-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000891846233 590651793 /nfs/dbraw/zinc/65/17/93/590651793.db2.gz YGNWKSGWWICQDU-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891914964 590685986 /nfs/dbraw/zinc/68/59/86/590685986.db2.gz CRVQJCLVWMAJSO-AWEZNQCLSA-N 2 2 334.420 1.048 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891940900 590697254 /nfs/dbraw/zinc/69/72/54/590697254.db2.gz TWMZVXKUJVZVEU-CZUORRHYSA-N 2 2 327.432 1.978 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c2[nH+]ccn21 ZINC000891941237 590697285 /nfs/dbraw/zinc/69/72/85/590697285.db2.gz VWVOEAIPHZHNSZ-RCWTZXSCSA-N 2 2 331.342 1.668 20 0 EDADLP CCO[C@@H]1C[C@H](Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)[C@H]1OC ZINC000893208382 590709360 /nfs/dbraw/zinc/70/93/60/590709360.db2.gz QLUBDGKMSCICFN-LISAXSMJSA-N 2 2 334.464 1.826 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000893209877 590711460 /nfs/dbraw/zinc/71/14/60/590711460.db2.gz JOTRBCFUQCVCSR-INIZCTEOSA-N 2 2 341.496 1.726 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000892019700 590750818 /nfs/dbraw/zinc/75/08/18/590750818.db2.gz RIXHDOFLJIDMBS-MSOLQXFVSA-N 2 2 348.491 1.478 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000892019700 590750820 /nfs/dbraw/zinc/75/08/20/590750820.db2.gz RIXHDOFLJIDMBS-MSOLQXFVSA-N 2 2 348.491 1.478 20 0 EDADLP C[C@H]([NH3+])CNC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000892104448 590800115 /nfs/dbraw/zinc/80/01/15/590800115.db2.gz XSOATSJWSBRFLJ-HNNXBMFYSA-N 2 2 327.432 1.735 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C2)c1 ZINC000892142842 590819900 /nfs/dbraw/zinc/81/99/00/590819900.db2.gz OLWYOFQOBJFXDT-BFYDXBDKSA-N 2 2 334.464 1.231 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C2)c1 ZINC000892142842 590819906 /nfs/dbraw/zinc/81/99/06/590819906.db2.gz OLWYOFQOBJFXDT-BFYDXBDKSA-N 2 2 334.464 1.231 20 0 EDADLP Nc1nc(N2CCC(CC[NH+]3CCOCC3)CC2)nc(C2CC2)[nH+]1 ZINC000892142214 590820038 /nfs/dbraw/zinc/82/00/38/590820038.db2.gz YWJAHOOCJKRJGC-UHFFFAOYSA-N 2 2 332.452 1.270 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CCN(c3nc(N)[nH+]c(C4CC4)n3)C2)c1 ZINC000892220165 590871642 /nfs/dbraw/zinc/87/16/42/590871642.db2.gz TZKMDFCFJKSJOH-GFCCVEGCSA-N 2 2 325.420 1.973 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)COCC2 ZINC000892236371 590880627 /nfs/dbraw/zinc/88/06/27/590880627.db2.gz SOHWSXXMXXZLJB-KDOFPFPSSA-N 2 2 330.476 1.942 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)COCC2 ZINC000892236371 590880628 /nfs/dbraw/zinc/88/06/28/590880628.db2.gz SOHWSXXMXXZLJB-KDOFPFPSSA-N 2 2 330.476 1.942 20 0 EDADLP Cn1nc2c(c1C[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)COCC2 ZINC000892236371 590880629 /nfs/dbraw/zinc/88/06/29/590880629.db2.gz SOHWSXXMXXZLJB-KDOFPFPSSA-N 2 2 330.476 1.942 20 0 EDADLP Cn1nc2c(c1C[NH+]1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)COCC2 ZINC000892236371 590880630 /nfs/dbraw/zinc/88/06/30/590880630.db2.gz SOHWSXXMXXZLJB-KDOFPFPSSA-N 2 2 330.476 1.942 20 0 EDADLP C[NH2+]C[C@H]1CCCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000891344500 591051560 /nfs/dbraw/zinc/05/15/60/591051560.db2.gz JEJXSEUPQVVTBT-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892513617 591054346 /nfs/dbraw/zinc/05/43/46/591054346.db2.gz FMYZKVGSIWQQLD-CQSZACIVSA-N 2 2 335.477 1.268 20 0 EDADLP [NH3+]CC12CCC(CC1)N2C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000891504809 591097752 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CC[C@@H](CO)Nc1cc(NC[C@H](C(C)C)[NH+]2CCOCC2)nc[nH+]1 ZINC000891679670 591181664 /nfs/dbraw/zinc/18/16/64/591181664.db2.gz YMWLEFKIGSBMBK-LSDHHAIUSA-N 2 2 337.468 1.428 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000891707694 591194463 /nfs/dbraw/zinc/19/44/63/591194463.db2.gz FUFBQYHIGSRXAL-STQMWFEESA-N 2 2 339.390 1.204 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000891716647 591196579 /nfs/dbraw/zinc/19/65/79/591196579.db2.gz VIAXDGWVDCOPOF-HZPDHXFCSA-N 2 2 327.432 1.755 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000891716647 591196583 /nfs/dbraw/zinc/19/65/83/591196583.db2.gz VIAXDGWVDCOPOF-HZPDHXFCSA-N 2 2 327.432 1.755 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895629506 591235974 /nfs/dbraw/zinc/23/59/74/591235974.db2.gz VDOYLEWQQYTKSA-MRXNPFEDSA-N 2 2 330.432 1.019 20 0 EDADLP Cn1nc(Br)nc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000894224415 591236353 /nfs/dbraw/zinc/23/63/53/591236353.db2.gz FPBFZDDHJHQSFC-UHFFFAOYSA-N 2 2 339.241 1.955 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000895664626 591243734 /nfs/dbraw/zinc/24/37/34/591243734.db2.gz AIDLPMZEBWQHKW-OAHLLOKOSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000895664626 591243737 /nfs/dbraw/zinc/24/37/37/591243737.db2.gz AIDLPMZEBWQHKW-OAHLLOKOSA-N 2 2 331.464 1.965 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000896103222 591345968 /nfs/dbraw/zinc/34/59/68/591345968.db2.gz RLRJSMDBWAYWNE-QZTJIDSGSA-N 2 2 331.460 1.470 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000896103222 591345972 /nfs/dbraw/zinc/34/59/72/591345972.db2.gz RLRJSMDBWAYWNE-QZTJIDSGSA-N 2 2 331.460 1.470 20 0 EDADLP CS[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000897376660 591354025 /nfs/dbraw/zinc/35/40/25/591354025.db2.gz BSISYTJYPINCOQ-HUUCEWRRSA-N 2 2 336.505 1.965 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2nccn3c[nH+]cc23)C1 ZINC000894632126 591372716 /nfs/dbraw/zinc/37/27/16/591372716.db2.gz STUOYZKSGIHWLP-KRWDZBQOSA-N 2 2 336.443 1.957 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNc2nccn3c[nH+]cc23)C1 ZINC000894632126 591372719 /nfs/dbraw/zinc/37/27/19/591372719.db2.gz STUOYZKSGIHWLP-KRWDZBQOSA-N 2 2 336.443 1.957 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c[nH+]1 ZINC000896196745 591379908 /nfs/dbraw/zinc/37/99/08/591379908.db2.gz DNKRIXXUXRYAQO-UHFFFAOYSA-N 2 2 344.463 1.395 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c[nH+]1 ZINC000896196745 591379912 /nfs/dbraw/zinc/37/99/12/591379912.db2.gz DNKRIXXUXRYAQO-UHFFFAOYSA-N 2 2 344.463 1.395 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1(F)F ZINC000894670898 591382464 /nfs/dbraw/zinc/38/24/64/591382464.db2.gz OBQWOKNVXZNNMC-BFHYXJOUSA-N 2 2 332.391 1.085 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1(F)F ZINC000894670898 591382467 /nfs/dbraw/zinc/38/24/67/591382467.db2.gz OBQWOKNVXZNNMC-BFHYXJOUSA-N 2 2 332.391 1.085 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000897428723 591409535 /nfs/dbraw/zinc/40/95/35/591409535.db2.gz QJCYPBOBKHVDHO-OAHLLOKOSA-N 2 2 336.505 1.917 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000897428723 591409538 /nfs/dbraw/zinc/40/95/38/591409538.db2.gz QJCYPBOBKHVDHO-OAHLLOKOSA-N 2 2 336.505 1.917 20 0 EDADLP C[NH+](C)Cc1ccc(C[NH2+]CC(=O)NC2CC2)c2c1OC(F)(F)O2 ZINC000894783016 591417432 /nfs/dbraw/zinc/41/74/32/591417432.db2.gz PBZSXGRQUPTNMC-UHFFFAOYSA-N 2 2 341.358 1.438 20 0 EDADLP COC(=O)c1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000896324737 591419576 /nfs/dbraw/zinc/41/95/76/591419576.db2.gz JOJMPDGQBFYORS-CYBMUJFWSA-N 2 2 349.431 1.273 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000894874201 591451993 /nfs/dbraw/zinc/45/19/93/591451993.db2.gz RZJVOVRJOHWANF-AWEZNQCLSA-N 2 2 345.443 1.891 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000894874201 591451997 /nfs/dbraw/zinc/45/19/97/591451997.db2.gz RZJVOVRJOHWANF-AWEZNQCLSA-N 2 2 345.443 1.891 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n[nH]1 ZINC000897601509 591579175 /nfs/dbraw/zinc/57/91/75/591579175.db2.gz NNDROSMATAWITN-RHSMWYFYSA-N 2 2 341.415 1.865 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n[nH]1 ZINC000897601509 591579179 /nfs/dbraw/zinc/57/91/79/591579179.db2.gz NNDROSMATAWITN-RHSMWYFYSA-N 2 2 341.415 1.865 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C[C@@H]1Cc1ccccc1 ZINC000897697843 591621962 /nfs/dbraw/zinc/62/19/62/591621962.db2.gz FGXBXHDALVGDNB-OALUTQOASA-N 2 2 343.471 1.092 20 0 EDADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C[C@@H]1Cc1ccccc1 ZINC000897697843 591621965 /nfs/dbraw/zinc/62/19/65/591621965.db2.gz FGXBXHDALVGDNB-OALUTQOASA-N 2 2 343.471 1.092 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2NC(=O)c3ccccc32)CC1 ZINC000896839704 591628792 /nfs/dbraw/zinc/62/87/92/591628792.db2.gz CTFPVGSZEBBRDU-QGZVFWFLSA-N 2 2 344.459 1.003 20 0 EDADLP Cc1[nH]c(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)[nH+]c1C ZINC000896922015 591682423 /nfs/dbraw/zinc/68/24/23/591682423.db2.gz VGCZBUFMLDVPMO-GOSISDBHSA-N 2 2 342.443 1.841 20 0 EDADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000897948928 591734501 /nfs/dbraw/zinc/73/45/01/591734501.db2.gz SJMFHLYMPPLBJR-OXFYSEKESA-N 2 2 346.471 1.962 20 0 EDADLP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000897986608 591751141 /nfs/dbraw/zinc/75/11/41/591751141.db2.gz DUYCVROQHNHKIN-GFCCVEGCSA-N 2 2 349.460 1.813 20 0 EDADLP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897228303 591779020 /nfs/dbraw/zinc/77/90/20/591779020.db2.gz LCTGOYWCYBVUFR-OAHLLOKOSA-N 2 2 327.469 1.744 20 0 EDADLP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897228303 591779023 /nfs/dbraw/zinc/77/90/23/591779023.db2.gz LCTGOYWCYBVUFR-OAHLLOKOSA-N 2 2 327.469 1.744 20 0 EDADLP COC(=O)c1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)nc1 ZINC000902043948 591902552 /nfs/dbraw/zinc/90/25/52/591902552.db2.gz MUMLEXMNLFURDX-UHFFFAOYSA-N 2 2 341.415 1.627 20 0 EDADLP O=C(CNc1cccc[nH+]1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000900263385 591965575 /nfs/dbraw/zinc/96/55/75/591965575.db2.gz JASIQNLJXLQZBE-UHFFFAOYSA-N 2 2 325.416 1.669 20 0 EDADLP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)[C@@H](C)OCC(C)C)CC1 ZINC000902273860 591966986 /nfs/dbraw/zinc/96/69/86/591966986.db2.gz OOBAPTRCIINFDN-CYBMUJFWSA-N 2 2 328.457 1.146 20 0 EDADLP C/C(=C\C(=O)NCC[N@@H+]1CCc2sccc2C1)C[NH+]1CCOCC1 ZINC000900334797 591987513 /nfs/dbraw/zinc/98/75/13/591987513.db2.gz QBMXUKGSFLZKJH-NTCAYCPXSA-N 2 2 349.500 1.501 20 0 EDADLP C/C(=C\C(=O)NCC[N@H+]1CCc2sccc2C1)C[NH+]1CCOCC1 ZINC000900334797 591987516 /nfs/dbraw/zinc/98/75/16/591987516.db2.gz QBMXUKGSFLZKJH-NTCAYCPXSA-N 2 2 349.500 1.501 20 0 EDADLP CNc1nc(NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)[nH+]c2ccccc21 ZINC000900362417 591995333 /nfs/dbraw/zinc/99/53/33/591995333.db2.gz LVYYHDGFQRZNJW-GFCCVEGCSA-N 2 2 341.415 1.769 20 0 EDADLP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000902501063 592003185 /nfs/dbraw/zinc/00/31/85/592003185.db2.gz HRRRFWVWSPJZOH-FRYIKTPZSA-N 3 2 343.471 1.599 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000902481765 592005504 /nfs/dbraw/zinc/00/55/04/592005504.db2.gz GQUTWDXHFCOMNW-HIFRSBDPSA-N 2 2 325.478 1.778 20 0 EDADLP CNc1ccccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000902644492 592037217 /nfs/dbraw/zinc/03/72/17/592037217.db2.gz NXIQETDSECXPJV-GOSISDBHSA-N 2 2 332.492 1.615 20 0 EDADLP CC[C@@H]1c2ccccc2C[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000902666032 592042820 /nfs/dbraw/zinc/04/28/20/592042820.db2.gz KGAORGMOIPXYFC-MRXNPFEDSA-N 2 2 342.443 1.927 20 0 EDADLP CC[C@@H]1c2ccccc2C[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000902666032 592042823 /nfs/dbraw/zinc/04/28/23/592042823.db2.gz KGAORGMOIPXYFC-MRXNPFEDSA-N 2 2 342.443 1.927 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900563090 592053475 /nfs/dbraw/zinc/05/34/75/592053475.db2.gz WIPXVMLCTAWNAR-IRXDYDNUSA-N 2 2 347.463 1.171 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900563090 592053477 /nfs/dbraw/zinc/05/34/77/592053477.db2.gz WIPXVMLCTAWNAR-IRXDYDNUSA-N 2 2 347.463 1.171 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000902785277 592059026 /nfs/dbraw/zinc/05/90/26/592059026.db2.gz CRYSKOWMGAWTMG-GOEBONIOSA-N 2 2 336.484 1.281 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000902785277 592059029 /nfs/dbraw/zinc/05/90/29/592059029.db2.gz CRYSKOWMGAWTMG-GOEBONIOSA-N 2 2 336.484 1.281 20 0 EDADLP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000900655604 592082278 /nfs/dbraw/zinc/08/22/78/592082278.db2.gz JRWYUQFTLQKAEE-KURKYZTESA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000900655604 592082281 /nfs/dbraw/zinc/08/22/81/592082281.db2.gz JRWYUQFTLQKAEE-KURKYZTESA-N 2 2 335.492 1.717 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CC(C)(C)CO1 ZINC000900693491 592097461 /nfs/dbraw/zinc/09/74/61/592097461.db2.gz UMQZPRDICQXSSZ-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CC(C)(C)CO1 ZINC000900693491 592097464 /nfs/dbraw/zinc/09/74/64/592097464.db2.gz UMQZPRDICQXSSZ-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP C/C(=C\C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000900722607 592105027 /nfs/dbraw/zinc/10/50/27/592105027.db2.gz IZXLTFNESXGJAS-XNTDXEJSSA-N 2 2 349.450 1.782 20 0 EDADLP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903061099 592111692 /nfs/dbraw/zinc/11/16/92/592111692.db2.gz AGZSDGFXJYGOIJ-UXHICEINSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903048378 592113519 /nfs/dbraw/zinc/11/35/19/592113519.db2.gz MOIFCYXGJXLVKU-MAUKXSAKSA-N 2 2 331.416 1.691 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@H]3CCO[C@@]34CCOC4)CC2)cc[nH+]1 ZINC000903088513 592118028 /nfs/dbraw/zinc/11/80/28/592118028.db2.gz ZMDYVDJEMFVGDD-RBUKOAKNSA-N 3 2 346.475 1.131 20 0 EDADLP CC(=O)OCc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000903205427 592137370 /nfs/dbraw/zinc/13/73/70/592137370.db2.gz ICTTULCPBJPLEW-KSSFIOAISA-N 2 2 347.459 1.740 20 0 EDADLP CC(=O)OCc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000903205427 592137372 /nfs/dbraw/zinc/13/73/72/592137372.db2.gz ICTTULCPBJPLEW-KSSFIOAISA-N 2 2 347.459 1.740 20 0 EDADLP Cc1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1C ZINC000900857407 592148892 /nfs/dbraw/zinc/14/88/92/592148892.db2.gz IPZRGEHEQGLFGM-UHFFFAOYSA-N 2 2 333.480 1.409 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903303750 592153286 /nfs/dbraw/zinc/15/32/86/592153286.db2.gz VABKDIUMLWDJNE-ZENOOKHLSA-N 2 2 325.478 1.680 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903303750 592153288 /nfs/dbraw/zinc/15/32/88/592153288.db2.gz VABKDIUMLWDJNE-ZENOOKHLSA-N 2 2 325.478 1.680 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1[NH+]1CCOCC1 ZINC000900880129 592155457 /nfs/dbraw/zinc/15/54/57/592155457.db2.gz OEWGKXFYXGGBKK-ZJPYXAASSA-N 2 2 335.492 1.573 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1[NH+]1CCOCC1 ZINC000900880129 592155458 /nfs/dbraw/zinc/15/54/58/592155458.db2.gz OEWGKXFYXGGBKK-ZJPYXAASSA-N 2 2 335.492 1.573 20 0 EDADLP CC[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000903342790 592156158 /nfs/dbraw/zinc/15/61/58/592156158.db2.gz KKQQBMYBXDLEFQ-GOSISDBHSA-N 2 2 332.492 1.746 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903484685 592177767 /nfs/dbraw/zinc/17/77/67/592177767.db2.gz VEBUJZNEBGMYTD-ZWKOTPCHSA-N 3 2 344.503 1.670 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H](CNC(=O)C23CC[NH+](CC2)C3)c2cccs2)CCO1 ZINC000900939880 592180003 /nfs/dbraw/zinc/18/00/03/592180003.db2.gz BHKKKGVQYTVZDY-HUUCEWRRSA-N 2 2 349.500 1.722 20 0 EDADLP C[C@@H]1C[N@H+]([C@H](CNC(=O)C23CC[NH+](CC2)C3)c2cccs2)CCO1 ZINC000900939880 592180006 /nfs/dbraw/zinc/18/00/06/592180006.db2.gz BHKKKGVQYTVZDY-HUUCEWRRSA-N 2 2 349.500 1.722 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000901118256 592239370 /nfs/dbraw/zinc/23/93/70/592239370.db2.gz MXYMUXSCIDRTSD-IAGOWNOFSA-N 2 2 346.475 1.929 20 0 EDADLP C[C@@]1(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CCC[NH2+]C1 ZINC000904388349 592242369 /nfs/dbraw/zinc/24/23/69/592242369.db2.gz HOWJFYBXZDCWLS-GOSISDBHSA-N 2 2 329.448 1.780 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Cl)nc3F)C2)CC1 ZINC000906662430 592245247 /nfs/dbraw/zinc/24/52/47/592245247.db2.gz XTOGRYCKCSFYPV-LLVKDONJSA-N 2 2 340.830 1.772 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Cl)nc3F)C2)CC1 ZINC000906662430 592245252 /nfs/dbraw/zinc/24/52/52/592245252.db2.gz XTOGRYCKCSFYPV-LLVKDONJSA-N 2 2 340.830 1.772 20 0 EDADLP C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906661498 592270971 /nfs/dbraw/zinc/27/09/71/592270971.db2.gz RECVVBQTUXUUDN-DZKIICNBSA-N 2 2 345.491 1.360 20 0 EDADLP C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906661498 592270975 /nfs/dbraw/zinc/27/09/75/592270975.db2.gz RECVVBQTUXUUDN-DZKIICNBSA-N 2 2 345.491 1.360 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3C[C@@H]4CCC[NH+]4C[C@H]3C)co2)C1 ZINC000906690589 592290958 /nfs/dbraw/zinc/29/09/58/592290958.db2.gz GQYKKEPHLSNICH-ILXRZTDVSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3C[C@@H]4CCC[NH+]4C[C@H]3C)co2)C1 ZINC000906690589 592290959 /nfs/dbraw/zinc/29/09/59/592290959.db2.gz GQYKKEPHLSNICH-ILXRZTDVSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)co2)C1 ZINC000906690589 592290962 /nfs/dbraw/zinc/29/09/62/592290962.db2.gz GQYKKEPHLSNICH-ILXRZTDVSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)co2)C1 ZINC000906690589 592290965 /nfs/dbraw/zinc/29/09/65/592290965.db2.gz GQYKKEPHLSNICH-ILXRZTDVSA-N 2 2 348.447 1.204 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903734014 592297649 /nfs/dbraw/zinc/29/76/49/592297649.db2.gz SHCSCGSYLFAZQJ-ZWKOTPCHSA-N 2 2 336.524 1.395 20 0 EDADLP C[C@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903734014 592297652 /nfs/dbraw/zinc/29/76/52/592297652.db2.gz SHCSCGSYLFAZQJ-ZWKOTPCHSA-N 2 2 336.524 1.395 20 0 EDADLP O=C(CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1)NC1CCCCC1 ZINC000903736725 592299084 /nfs/dbraw/zinc/29/90/84/592299084.db2.gz LIKLECMVGNRVGM-QGZVFWFLSA-N 2 2 336.524 1.443 20 0 EDADLP O=S(=O)(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1 ZINC000903742619 592304476 /nfs/dbraw/zinc/30/44/76/592304476.db2.gz YFSMVZOUXIGPSZ-NVXWUHKLSA-N 2 2 337.489 1.892 20 0 EDADLP O=S(=O)(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1 ZINC000903742619 592304481 /nfs/dbraw/zinc/30/44/81/592304481.db2.gz YFSMVZOUXIGPSZ-NVXWUHKLSA-N 2 2 337.489 1.892 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818034 592325193 /nfs/dbraw/zinc/32/51/93/592325193.db2.gz UOAVTYYYMXHYPY-UHFFFAOYSA-N 2 2 341.496 1.010 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818034 592325199 /nfs/dbraw/zinc/32/51/99/592325199.db2.gz UOAVTYYYMXHYPY-UHFFFAOYSA-N 2 2 341.496 1.010 20 0 EDADLP OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903895154 592365722 /nfs/dbraw/zinc/36/57/22/592365722.db2.gz KWBNIXBDNWHAJX-CRAIPNDOSA-N 2 2 327.432 1.294 20 0 EDADLP OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903895154 592365728 /nfs/dbraw/zinc/36/57/28/592365728.db2.gz KWBNIXBDNWHAJX-CRAIPNDOSA-N 2 2 327.432 1.294 20 0 EDADLP Cc1nc(C2([NH2+]C[C@H](C[NH3+])Cc3cnn(C)c3C)CCCCC2)no1 ZINC000903899845 592370036 /nfs/dbraw/zinc/37/00/36/592370036.db2.gz WRUZNKGCPZBDDH-HNNXBMFYSA-N 2 2 346.479 1.987 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2cn3ccccc3[nH+]2)cnn1C ZINC000903925304 592379999 /nfs/dbraw/zinc/37/99/99/592379999.db2.gz DOKXIAUOUBOQID-HNNXBMFYSA-N 3 2 326.448 1.326 20 0 EDADLP FC(F)(F)[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903937151 592387030 /nfs/dbraw/zinc/38/70/30/592387030.db2.gz CKCHWWSXYHQNGR-AAEUAGOBSA-N 2 2 333.358 1.356 20 0 EDADLP FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903937151 592387033 /nfs/dbraw/zinc/38/70/33/592387033.db2.gz CKCHWWSXYHQNGR-AAEUAGOBSA-N 2 2 333.358 1.356 20 0 EDADLP CCO[C@@H](C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O)C[NH+](C)C ZINC000901592039 592398569 /nfs/dbraw/zinc/39/85/69/592398569.db2.gz GWIJWUPADBRTIZ-GJZGRUSLSA-N 2 2 327.856 1.293 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906971906 592444735 /nfs/dbraw/zinc/44/47/35/592444735.db2.gz LKDZAYLBEFNFLT-DOTOQJQBSA-N 2 2 346.475 1.033 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906971906 592444741 /nfs/dbraw/zinc/44/47/41/592444741.db2.gz LKDZAYLBEFNFLT-DOTOQJQBSA-N 2 2 346.475 1.033 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)C1CC1 ZINC000905220274 592472523 /nfs/dbraw/zinc/47/25/23/592472523.db2.gz WDCPXSHNUHUIKZ-ZCNNSNEGSA-N 2 2 348.487 1.389 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)C1CC1 ZINC000905220274 592472525 /nfs/dbraw/zinc/47/25/25/592472525.db2.gz WDCPXSHNUHUIKZ-ZCNNSNEGSA-N 2 2 348.487 1.389 20 0 EDADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2nc(-c3ccccc3)ns2)CC1 ZINC000905293788 592486563 /nfs/dbraw/zinc/48/65/63/592486563.db2.gz LVXRCRJDIVPABQ-UHFFFAOYSA-N 2 2 346.460 1.750 20 0 EDADLP [NH3+]C1CC[NH+](CCNC(=O)c2nc(Br)cs2)CC1 ZINC000905294519 592487446 /nfs/dbraw/zinc/48/74/46/592487446.db2.gz WLICRJBWXPQHGZ-UHFFFAOYSA-N 2 2 333.255 1.059 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C[C@]1(O)CCOC1 ZINC000905408901 592523799 /nfs/dbraw/zinc/52/37/99/592523799.db2.gz MTFCKRDDOAGUSB-VAMGGRTRSA-N 2 2 348.487 1.533 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C[C@]1(O)CCOC1 ZINC000905408901 592523801 /nfs/dbraw/zinc/52/38/01/592523801.db2.gz MTFCKRDDOAGUSB-VAMGGRTRSA-N 2 2 348.487 1.533 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cc1 ZINC000908534061 592527756 /nfs/dbraw/zinc/52/77/56/592527756.db2.gz UIYMXEOTQQWDPJ-UHFFFAOYSA-N 2 2 327.432 1.666 20 0 EDADLP C[C@H](C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)S(C)(=O)=O ZINC000905434520 592533908 /nfs/dbraw/zinc/53/39/08/592533908.db2.gz ABDPDRZQGHFYBL-RHSMWYFYSA-N 2 2 337.489 1.816 20 0 EDADLP C[C@H](C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)S(C)(=O)=O ZINC000905434520 592533911 /nfs/dbraw/zinc/53/39/11/592533911.db2.gz ABDPDRZQGHFYBL-RHSMWYFYSA-N 2 2 337.489 1.816 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000905540977 592556405 /nfs/dbraw/zinc/55/64/05/592556405.db2.gz MHRLLXYFIOBGRU-FRFSOERESA-N 2 2 336.432 1.285 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000905540977 592556409 /nfs/dbraw/zinc/55/64/09/592556409.db2.gz MHRLLXYFIOBGRU-FRFSOERESA-N 2 2 336.432 1.285 20 0 EDADLP CC[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000905554273 592564827 /nfs/dbraw/zinc/56/48/27/592564827.db2.gz WIVHJXIDLCUICI-VQTJNVASSA-N 2 2 347.503 1.106 20 0 EDADLP CC[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000905554273 592564830 /nfs/dbraw/zinc/56/48/30/592564830.db2.gz WIVHJXIDLCUICI-VQTJNVASSA-N 2 2 347.503 1.106 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)C3(C[NH3+])CCCCC3)nc[nH+]2)C1 ZINC000905657107 592598724 /nfs/dbraw/zinc/59/87/24/592598724.db2.gz CSVQWXZQNXRTLE-HUUCEWRRSA-N 2 2 333.480 1.782 20 0 EDADLP CCC1([NH3+])CCN(c2cc(N3CCC([NH3+])(CC)CC3)[nH+]cn2)CC1 ZINC000905670678 592606916 /nfs/dbraw/zinc/60/69/16/592606916.db2.gz LMXFRXLBIBUQJA-UHFFFAOYSA-N 3 2 332.496 1.892 20 0 EDADLP [NH3+]Cc1nc2c(s1)CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC000905670603 592607180 /nfs/dbraw/zinc/60/71/80/592607180.db2.gz UWVJSWNJOYWLCV-UHFFFAOYSA-N 2 2 330.461 1.945 20 0 EDADLP [NH3+]C1CC[NH+](CCNc2nccc(OCc3ccccc3)n2)CC1 ZINC000905705137 592617657 /nfs/dbraw/zinc/61/76/57/592617657.db2.gz GUJQMVWHMHPPJV-UHFFFAOYSA-N 2 2 327.432 1.891 20 0 EDADLP [NH3+]C1CC[NH+](CCNc2cc(Cl)nc([C@@H]3CCCO3)n2)CC1 ZINC000905707852 592618279 /nfs/dbraw/zinc/61/82/79/592618279.db2.gz ZTERIGUKGHQDDP-LBPRGKRZSA-N 2 2 325.844 1.817 20 0 EDADLP CC[N@H+](Cc1noc(C)n1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907578775 592719996 /nfs/dbraw/zinc/71/99/96/592719996.db2.gz UKCATHUZMMEVRI-OAHLLOKOSA-N 2 2 346.435 1.547 20 0 EDADLP CC[N@@H+](Cc1noc(C)n1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907578775 592720000 /nfs/dbraw/zinc/72/00/00/592720000.db2.gz UKCATHUZMMEVRI-OAHLLOKOSA-N 2 2 346.435 1.547 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000907759701 592780609 /nfs/dbraw/zinc/78/06/09/592780609.db2.gz OCCCWTXTYGUZQC-UHFFFAOYSA-N 2 2 342.443 1.885 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910777675 592893596 /nfs/dbraw/zinc/89/35/96/592893596.db2.gz MGSSWIWJAMLAEJ-QGZVFWFLSA-N 2 2 336.439 1.932 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910777675 592893597 /nfs/dbraw/zinc/89/35/97/592893597.db2.gz MGSSWIWJAMLAEJ-QGZVFWFLSA-N 2 2 336.439 1.932 20 0 EDADLP CCC/C=C/[C@@H](O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190041 592945945 /nfs/dbraw/zinc/94/59/45/592945945.db2.gz FICKEENTHMAWBF-JHTBKMLMSA-N 2 2 337.508 1.722 20 0 EDADLP CCC/C=C/[C@@H](O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190041 592945946 /nfs/dbraw/zinc/94/59/46/592945946.db2.gz FICKEENTHMAWBF-JHTBKMLMSA-N 2 2 337.508 1.722 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])cc(C)[nH+]1 ZINC000911313572 592997329 /nfs/dbraw/zinc/99/73/29/592997329.db2.gz GGYVGVFJUYDLFL-MAUKXSAKSA-N 2 2 330.432 1.045 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)cc(C)[nH+]1 ZINC000911318791 592998836 /nfs/dbraw/zinc/99/88/36/592998836.db2.gz ZNALTXPJTMZHAT-UHFFFAOYSA-N 2 2 346.475 1.538 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000911969931 593042834 /nfs/dbraw/zinc/04/28/34/593042834.db2.gz AYODBQUTCBZJSA-UHFFFAOYSA-N 2 2 334.401 1.068 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@]23C[C@H]2COC3)([NH+]2CCCCC2)CC1 ZINC000888403371 593050867 /nfs/dbraw/zinc/05/08/67/593050867.db2.gz IKAYPNUWSOCYJU-YJBOKZPZSA-N 2 2 336.480 1.025 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C(=O)[C@@]4(CCCO4)[C@@H]3C3CC3)C2)C1 ZINC000840085536 593152907 /nfs/dbraw/zinc/15/29/07/593152907.db2.gz FJPLKJSHFUPPQW-YTQUADARSA-N 2 2 333.476 1.532 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C(=O)[C@@]4(CCCO4)[C@@H]3C3CC3)C2)C1 ZINC000840085536 593152909 /nfs/dbraw/zinc/15/29/09/593152909.db2.gz FJPLKJSHFUPPQW-YTQUADARSA-N 2 2 333.476 1.532 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C(=O)[C@@]4(CCCO4)[C@@H]3C3CC3)C2)C1 ZINC000840085536 593152911 /nfs/dbraw/zinc/15/29/11/593152911.db2.gz FJPLKJSHFUPPQW-YTQUADARSA-N 2 2 333.476 1.532 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C(=O)[C@@]4(CCCO4)[C@@H]3C3CC3)C2)C1 ZINC000840085536 593152912 /nfs/dbraw/zinc/15/29/12/593152912.db2.gz FJPLKJSHFUPPQW-YTQUADARSA-N 2 2 333.476 1.532 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C(=O)C4(CCC4)[C@H]3[C@H]3CCCO3)C2)C1 ZINC000840087609 593157012 /nfs/dbraw/zinc/15/70/12/593157012.db2.gz LENDVPQPRSPPOV-LMMKCTJWSA-N 2 2 347.503 1.922 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C(=O)C4(CCC4)[C@H]3[C@H]3CCCO3)C2)C1 ZINC000840087609 593157015 /nfs/dbraw/zinc/15/70/15/593157015.db2.gz LENDVPQPRSPPOV-LMMKCTJWSA-N 2 2 347.503 1.922 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C(=O)C4(CCC4)[C@H]3[C@H]3CCCO3)C2)C1 ZINC000840087609 593157018 /nfs/dbraw/zinc/15/70/18/593157018.db2.gz LENDVPQPRSPPOV-LMMKCTJWSA-N 2 2 347.503 1.922 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C(=O)C4(CCC4)[C@H]3[C@H]3CCCO3)C2)C1 ZINC000840087609 593157020 /nfs/dbraw/zinc/15/70/20/593157020.db2.gz LENDVPQPRSPPOV-LMMKCTJWSA-N 2 2 347.503 1.922 20 0 EDADLP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000838853117 593225637 /nfs/dbraw/zinc/22/56/37/593225637.db2.gz IVLBDEUHCUAWMO-SJORKVTESA-N 2 2 339.524 1.924 20 0 EDADLP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000838853117 593225639 /nfs/dbraw/zinc/22/56/39/593225639.db2.gz IVLBDEUHCUAWMO-SJORKVTESA-N 2 2 339.524 1.924 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000838932315 593241247 /nfs/dbraw/zinc/24/12/47/593241247.db2.gz PGLYMGSVZUAFAE-OAHLLOKOSA-N 2 2 325.416 1.496 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000838932315 593241249 /nfs/dbraw/zinc/24/12/49/593241249.db2.gz PGLYMGSVZUAFAE-OAHLLOKOSA-N 2 2 325.416 1.496 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)nc1 ZINC000810214422 593389330 /nfs/dbraw/zinc/38/93/30/593389330.db2.gz XOEAKFDCJSMSSI-NSHDSACASA-N 2 2 341.253 1.269 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000840029991 593394338 /nfs/dbraw/zinc/39/43/38/593394338.db2.gz HJYGVPXXLZRJQL-MTNOOBJLSA-N 2 2 333.476 1.530 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000840029991 593394341 /nfs/dbraw/zinc/39/43/41/593394341.db2.gz HJYGVPXXLZRJQL-MTNOOBJLSA-N 2 2 333.476 1.530 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000840029991 593394344 /nfs/dbraw/zinc/39/43/44/593394344.db2.gz HJYGVPXXLZRJQL-MTNOOBJLSA-N 2 2 333.476 1.530 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000840029991 593394347 /nfs/dbraw/zinc/39/43/47/593394347.db2.gz HJYGVPXXLZRJQL-MTNOOBJLSA-N 2 2 333.476 1.530 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@@H](C2CC2)[C@@]12CCCO2 ZINC000840059206 593437354 /nfs/dbraw/zinc/43/73/54/593437354.db2.gz HQPNARCNRGJEAL-AOIWGVFYSA-N 2 2 343.427 1.662 20 0 EDADLP O=C1N(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@@H](C2CC2)[C@@]12CCCO2 ZINC000840059206 593437357 /nfs/dbraw/zinc/43/73/57/593437357.db2.gz HQPNARCNRGJEAL-AOIWGVFYSA-N 2 2 343.427 1.662 20 0 EDADLP CC1(C)C(=O)N(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@@H]1[C@@H]1CCCO1 ZINC000811771270 593480846 /nfs/dbraw/zinc/48/08/46/593480846.db2.gz ZSXYOJWTKIQVQN-IXDOHACOSA-N 2 2 345.443 1.908 20 0 EDADLP CC1(C)C(=O)N(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@@H]1[C@@H]1CCCO1 ZINC000811771270 593480847 /nfs/dbraw/zinc/48/08/47/593480847.db2.gz ZSXYOJWTKIQVQN-IXDOHACOSA-N 2 2 345.443 1.908 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)C1 ZINC000811776750 593481384 /nfs/dbraw/zinc/48/13/84/593481384.db2.gz GDEXIYMPUBSQOX-FRFSOERESA-N 2 2 332.448 1.583 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)C1 ZINC000811776750 593481385 /nfs/dbraw/zinc/48/13/85/593481385.db2.gz GDEXIYMPUBSQOX-FRFSOERESA-N 2 2 332.448 1.583 20 0 EDADLP C[NH+]1CCC(ONC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000816534190 593530607 /nfs/dbraw/zinc/53/06/07/593530607.db2.gz ZMJVCMYLMHWMCB-UHFFFAOYSA-N 2 2 333.432 1.274 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3C(=O)CC34CCC4)CC2)CC1 ZINC000817374870 593597992 /nfs/dbraw/zinc/59/79/92/593597992.db2.gz ZPYSDDRNDYMWTJ-UHFFFAOYSA-N 2 2 334.508 1.591 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3C(=O)CC34CCC4)CC2)CC1 ZINC000817374870 593597993 /nfs/dbraw/zinc/59/79/93/593597993.db2.gz ZPYSDDRNDYMWTJ-UHFFFAOYSA-N 2 2 334.508 1.591 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C(=O)CC34CCC4)CC2)CC1 ZINC000817374870 593597994 /nfs/dbraw/zinc/59/79/94/593597994.db2.gz ZPYSDDRNDYMWTJ-UHFFFAOYSA-N 2 2 334.508 1.591 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C(=O)CC34CCC4)CC2)CC1 ZINC000817374870 593597995 /nfs/dbraw/zinc/59/79/95/593597995.db2.gz ZPYSDDRNDYMWTJ-UHFFFAOYSA-N 2 2 334.508 1.591 20 0 EDADLP CC(C)(C)C(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000818014000 593657489 /nfs/dbraw/zinc/65/74/89/593657489.db2.gz KLRCEMOWEXBZSG-UHFFFAOYSA-N 2 2 331.460 1.711 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000818330193 593693282 /nfs/dbraw/zinc/69/32/82/593693282.db2.gz PJNZARHRJJOQLF-LBPRGKRZSA-N 2 2 325.840 1.773 20 0 EDADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2=O)cc1 ZINC000819111278 593739409 /nfs/dbraw/zinc/73/94/09/593739409.db2.gz NMWJPEBUMQZCOV-ROUUACIJSA-N 2 2 331.460 1.535 20 0 EDADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2=O)cc1 ZINC000819111278 593739410 /nfs/dbraw/zinc/73/94/10/593739410.db2.gz NMWJPEBUMQZCOV-ROUUACIJSA-N 2 2 331.460 1.535 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@H](O)c2ccccc2)C1=O ZINC000819223347 593745413 /nfs/dbraw/zinc/74/54/13/593745413.db2.gz ZKFXTDJVPYLRJZ-CVEARBPZSA-N 2 2 328.416 1.234 20 0 EDADLP CC[NH+](CC)C[C@@H](C)Nc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821182145 593985006 /nfs/dbraw/zinc/98/50/06/593985006.db2.gz RXKHJBRLFOCZQY-GFCCVEGCSA-N 2 2 325.420 1.979 20 0 EDADLP Cc1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c(N(C)C)[nH+]1 ZINC000822078640 593990838 /nfs/dbraw/zinc/99/08/38/593990838.db2.gz QRTTWQLHBNUBIQ-UONOGXRCSA-N 2 2 335.452 1.687 20 0 EDADLP Cc1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(N(C)C)[nH+]1 ZINC000822078640 593990840 /nfs/dbraw/zinc/99/08/40/593990840.db2.gz QRTTWQLHBNUBIQ-UONOGXRCSA-N 2 2 335.452 1.687 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)S1 ZINC000824863792 594086880 /nfs/dbraw/zinc/08/68/80/594086880.db2.gz VDJYDIRIBDBIEZ-AWEZNQCLSA-N 2 2 342.472 1.876 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@](C)(O)c1ccc(F)cc1 ZINC000824955317 594104689 /nfs/dbraw/zinc/10/46/89/594104689.db2.gz AFTUORBXBVBNDI-KRWDZBQOSA-N 2 2 325.428 1.033 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@](C)(O)c1ccc(F)cc1 ZINC000824955317 594104690 /nfs/dbraw/zinc/10/46/90/594104690.db2.gz AFTUORBXBVBNDI-KRWDZBQOSA-N 2 2 325.428 1.033 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3cc(C)on3)CC2)CC1 ZINC000823113967 594155362 /nfs/dbraw/zinc/15/53/62/594155362.db2.gz LPNPFJKLMQILFC-UHFFFAOYSA-N 2 2 348.491 1.934 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3cc(C)on3)CC2)CC1 ZINC000823113967 594155363 /nfs/dbraw/zinc/15/53/63/594155363.db2.gz LPNPFJKLMQILFC-UHFFFAOYSA-N 2 2 348.491 1.934 20 0 EDADLP CN(C(=O)/C=C/C1(C)CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823266694 594178083 /nfs/dbraw/zinc/17/80/83/594178083.db2.gz CWVXPZDFZQTPPV-PYJQOMOHSA-N 2 2 349.519 1.986 20 0 EDADLP CN(C(=O)/C=C/C1(C)CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823266694 594178084 /nfs/dbraw/zinc/17/80/84/594178084.db2.gz CWVXPZDFZQTPPV-PYJQOMOHSA-N 2 2 349.519 1.986 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)C1([NH+](C)C)CC1 ZINC000823595100 594220220 /nfs/dbraw/zinc/22/02/20/594220220.db2.gz CASFVHMEHNOIBK-UHFFFAOYSA-N 2 2 325.497 1.822 20 0 EDADLP C[C@H]1Cc2cc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)ccc2O1 ZINC000829672331 594237641 /nfs/dbraw/zinc/23/76/41/594237641.db2.gz DJVRHQOLVWAPDL-AWEZNQCLSA-N 2 2 331.460 1.766 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2[nH+]1 ZINC000825900276 594272788 /nfs/dbraw/zinc/27/27/88/594272788.db2.gz JWGKFFOSRXLSLS-GJZGRUSLSA-N 2 2 329.404 1.627 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2[nH+]1 ZINC000825900276 594272789 /nfs/dbraw/zinc/27/27/89/594272789.db2.gz JWGKFFOSRXLSLS-GJZGRUSLSA-N 2 2 329.404 1.627 20 0 EDADLP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000827909897 594301744 /nfs/dbraw/zinc/30/17/44/594301744.db2.gz CHUYBSROUIYCCI-MRXNPFEDSA-N 2 2 343.431 1.775 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000828334584 594394389 /nfs/dbraw/zinc/39/43/89/594394389.db2.gz VIPYJCWIPYGGIH-QHCPKHFHSA-N 2 2 339.505 1.128 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000826364117 594446302 /nfs/dbraw/zinc/44/63/02/594446302.db2.gz LQVBCJLRXDTMNP-LBPRGKRZSA-N 2 2 327.367 1.729 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000826364117 594446303 /nfs/dbraw/zinc/44/63/03/594446303.db2.gz LQVBCJLRXDTMNP-LBPRGKRZSA-N 2 2 327.367 1.729 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)[NH+](C)C ZINC000826596228 594535661 /nfs/dbraw/zinc/53/56/61/594535661.db2.gz AIOAPJSOPWIOIL-MSOLQXFVSA-N 2 2 333.476 1.652 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)[NH+](C)C ZINC000826596228 594535663 /nfs/dbraw/zinc/53/56/63/594535663.db2.gz AIOAPJSOPWIOIL-MSOLQXFVSA-N 2 2 333.476 1.652 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000827310933 594660147 /nfs/dbraw/zinc/66/01/47/594660147.db2.gz NHDCXCGSLYLNKG-IAGOWNOFSA-N 2 2 345.491 1.185 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000827310933 594660148 /nfs/dbraw/zinc/66/01/48/594660148.db2.gz NHDCXCGSLYLNKG-IAGOWNOFSA-N 2 2 345.491 1.185 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)[NH+]2CCOCC2)cc1 ZINC000827440854 594672394 /nfs/dbraw/zinc/67/23/94/594672394.db2.gz NDCGYNOLBCLNSB-QZTJIDSGSA-N 2 2 331.460 1.612 20 0 EDADLP CN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000833141747 594800952 /nfs/dbraw/zinc/80/09/52/594800952.db2.gz GASIAWWXDONAKS-JKIFEVAISA-N 2 2 327.444 1.130 20 0 EDADLP CN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000833141747 594800953 /nfs/dbraw/zinc/80/09/53/594800953.db2.gz GASIAWWXDONAKS-JKIFEVAISA-N 2 2 327.444 1.130 20 0 EDADLP CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000833141747 594800955 /nfs/dbraw/zinc/80/09/55/594800955.db2.gz GASIAWWXDONAKS-JKIFEVAISA-N 2 2 327.444 1.130 20 0 EDADLP Ic1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841098875 594850871 /nfs/dbraw/zinc/85/08/71/594850871.db2.gz JNAYJFANKUAXLB-NSHDSACASA-N 2 2 332.185 1.369 20 0 EDADLP CCCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000841692907 594938498 /nfs/dbraw/zinc/93/84/98/594938498.db2.gz YOPCYKCLWOHUJV-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000841856646 594966441 /nfs/dbraw/zinc/96/64/41/594966441.db2.gz YXKVZPUSYFQCBP-JCYILVPMSA-N 3 2 337.512 1.068 20 0 EDADLP C[N@H+]1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000841856646 594966442 /nfs/dbraw/zinc/96/64/42/594966442.db2.gz YXKVZPUSYFQCBP-JCYILVPMSA-N 3 2 337.512 1.068 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000842147887 595023456 /nfs/dbraw/zinc/02/34/56/595023456.db2.gz IERKPMFCKLGHMH-UKRRQHHQSA-N 2 2 348.447 1.052 20 0 EDADLP CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000834303441 595087246 /nfs/dbraw/zinc/08/72/46/595087246.db2.gz BDAWBJQUJPBGMM-WMZOPIPTSA-N 2 2 342.443 1.052 20 0 EDADLP CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000834303441 595087250 /nfs/dbraw/zinc/08/72/50/595087250.db2.gz BDAWBJQUJPBGMM-WMZOPIPTSA-N 2 2 342.443 1.052 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843363072 595088498 /nfs/dbraw/zinc/08/84/98/595088498.db2.gz MJPNGTLOBIVMMB-TZMCWYRMSA-N 2 2 343.431 1.671 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843363072 595088501 /nfs/dbraw/zinc/08/85/01/595088501.db2.gz MJPNGTLOBIVMMB-TZMCWYRMSA-N 2 2 343.431 1.671 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000843491801 595129283 /nfs/dbraw/zinc/12/92/83/595129283.db2.gz JCDKTLJJJARSEY-GDBMZVCRSA-N 2 2 337.489 1.722 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000842687651 595170846 /nfs/dbraw/zinc/17/08/46/595170846.db2.gz UIBBTXBIDKDFHI-QWHCGFSZSA-N 2 2 329.441 1.436 20 0 EDADLP COCCn1cnn(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000121550093 595172623 /nfs/dbraw/zinc/17/26/23/595172623.db2.gz KACVFDHJNFISSY-KGLIPLIRSA-N 2 2 336.465 1.798 20 0 EDADLP COCCn1cnn(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000121550093 595172625 /nfs/dbraw/zinc/17/26/25/595172625.db2.gz KACVFDHJNFISSY-KGLIPLIRSA-N 2 2 336.465 1.798 20 0 EDADLP NC(=O)C1=NO[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842702307 595174686 /nfs/dbraw/zinc/17/46/86/595174686.db2.gz KAAHZDIJRYJFLM-HZPDHXFCSA-N 2 2 342.443 1.403 20 0 EDADLP NC(=O)C1=NO[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842702307 595174688 /nfs/dbraw/zinc/17/46/88/595174688.db2.gz KAAHZDIJRYJFLM-HZPDHXFCSA-N 2 2 342.443 1.403 20 0 EDADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(N2CCNC2=O)cc1 ZINC000842743942 595186812 /nfs/dbraw/zinc/18/68/12/595186812.db2.gz MISSZSSZNCVFTK-ZDUSSCGKSA-N 2 2 342.447 1.867 20 0 EDADLP CN(C(=O)c1cn2c(n1)CCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000843796740 595189048 /nfs/dbraw/zinc/18/90/48/595189048.db2.gz VECLKVSQMUZPQN-OAHLLOKOSA-N 2 2 331.464 1.070 20 0 EDADLP CN(C(=O)c1cn2c(n1)CCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000843796740 595189051 /nfs/dbraw/zinc/18/90/51/595189051.db2.gz VECLKVSQMUZPQN-OAHLLOKOSA-N 2 2 331.464 1.070 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843090723 595285209 /nfs/dbraw/zinc/28/52/09/595285209.db2.gz ZULXTMYSVKRXKQ-BBRMVZONSA-N 2 2 330.831 1.949 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843090723 595285211 /nfs/dbraw/zinc/28/52/11/595285211.db2.gz ZULXTMYSVKRXKQ-BBRMVZONSA-N 2 2 330.831 1.949 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000844177025 595293000 /nfs/dbraw/zinc/29/30/00/595293000.db2.gz YAQQKGIXNQFXOT-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000846673941 595298710 /nfs/dbraw/zinc/29/87/10/595298710.db2.gz HLIWJQLAYRGBLM-UHFFFAOYSA-N 2 2 325.403 1.989 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000846673941 595298711 /nfs/dbraw/zinc/29/87/11/595298711.db2.gz HLIWJQLAYRGBLM-UHFFFAOYSA-N 2 2 325.403 1.989 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846833336 595323032 /nfs/dbraw/zinc/32/30/32/595323032.db2.gz LVVOORCFEQIYIK-INIZCTEOSA-N 2 2 329.404 1.137 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846833336 595323035 /nfs/dbraw/zinc/32/30/35/595323035.db2.gz LVVOORCFEQIYIK-INIZCTEOSA-N 2 2 329.404 1.137 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000846871889 595330004 /nfs/dbraw/zinc/33/00/04/595330004.db2.gz JYVHUDAICOEETL-CQSZACIVSA-N 2 2 341.427 1.003 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000846871889 595330008 /nfs/dbraw/zinc/33/00/08/595330008.db2.gz JYVHUDAICOEETL-CQSZACIVSA-N 2 2 341.427 1.003 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)CC1=O ZINC000844381481 595334435 /nfs/dbraw/zinc/33/44/35/595334435.db2.gz NFWKFPKPHYYOJP-OAHLLOKOSA-N 2 2 325.840 1.079 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2)CC1=O ZINC000844381481 595334436 /nfs/dbraw/zinc/33/44/36/595334436.db2.gz NFWKFPKPHYYOJP-OAHLLOKOSA-N 2 2 325.840 1.079 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178740 595372097 /nfs/dbraw/zinc/37/20/97/595372097.db2.gz SQZRJTBLUMCQML-ZXFNITATSA-N 2 2 343.487 1.813 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178740 595372099 /nfs/dbraw/zinc/37/20/99/595372099.db2.gz SQZRJTBLUMCQML-ZXFNITATSA-N 2 2 343.487 1.813 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178740 595372103 /nfs/dbraw/zinc/37/21/03/595372103.db2.gz SQZRJTBLUMCQML-ZXFNITATSA-N 2 2 343.487 1.813 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000847283064 595387132 /nfs/dbraw/zinc/38/71/32/595387132.db2.gz JEMRKZUWXAWZPX-OTVXOJSOSA-N 2 2 328.420 1.407 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cn1cc(-c2ccncn2)cn1 ZINC000848482526 595391376 /nfs/dbraw/zinc/39/13/76/595391376.db2.gz OIBWDJKJCHCESF-BPQIPLTHSA-N 2 2 342.447 1.481 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cn1cc(-c2ccncn2)cn1 ZINC000848482526 595391379 /nfs/dbraw/zinc/39/13/79/595391379.db2.gz OIBWDJKJCHCESF-BPQIPLTHSA-N 2 2 342.447 1.481 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)ccnc1F ZINC000847489674 595432406 /nfs/dbraw/zinc/43/24/06/595432406.db2.gz RQADNWXICDAFDF-UHFFFAOYSA-N 2 2 326.391 1.458 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)ccnc1F ZINC000847489674 595432408 /nfs/dbraw/zinc/43/24/08/595432408.db2.gz RQADNWXICDAFDF-UHFFFAOYSA-N 2 2 326.391 1.458 20 0 EDADLP Cn1c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2oc1=O ZINC000848930770 595469457 /nfs/dbraw/zinc/46/94/57/595469457.db2.gz WJUSDDCUINIMCO-INIZCTEOSA-N 2 2 345.443 1.818 20 0 EDADLP Cn1c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2oc1=O ZINC000848930770 595469458 /nfs/dbraw/zinc/46/94/58/595469458.db2.gz WJUSDDCUINIMCO-INIZCTEOSA-N 2 2 345.443 1.818 20 0 EDADLP CC[C@H](C)NC(=[NH2+])NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000849012919 595474541 /nfs/dbraw/zinc/47/45/41/595474541.db2.gz SMLABQSZAKJPCI-AWEZNQCLSA-N 2 2 332.452 1.033 20 0 EDADLP C[C@H]1CN(C(=[NH2+])NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000849094675 595480736 /nfs/dbraw/zinc/48/07/36/595480736.db2.gz OTELWRHKYGQZGC-INIZCTEOSA-N 3 2 337.512 1.182 20 0 EDADLP COCC[NH+]1CCC(OC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000847884885 595496738 /nfs/dbraw/zinc/49/67/38/595496738.db2.gz RBNRJQKKTUJTIG-UHFFFAOYSA-N 2 2 330.388 1.535 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)[C@@H](c2cnn(C)c2)C1 ZINC000849553089 595563482 /nfs/dbraw/zinc/56/34/82/595563482.db2.gz QGMZSOKTBIKHAD-HZPDHXFCSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)[C@@H](c2cnn(C)c2)C1 ZINC000849553089 595563484 /nfs/dbraw/zinc/56/34/84/595563484.db2.gz QGMZSOKTBIKHAD-HZPDHXFCSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)[C@@H](c2cnn(C)c2)C1 ZINC000849553089 595563487 /nfs/dbraw/zinc/56/34/87/595563487.db2.gz QGMZSOKTBIKHAD-HZPDHXFCSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)[C@@H](c2cnn(C)c2)C1 ZINC000849553089 595563489 /nfs/dbraw/zinc/56/34/89/595563489.db2.gz QGMZSOKTBIKHAD-HZPDHXFCSA-N 2 2 330.436 1.274 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852855343 595577093 /nfs/dbraw/zinc/57/70/93/595577093.db2.gz IPMHJGZHIMVFQJ-UHFFFAOYSA-N 2 2 343.471 1.958 20 0 EDADLP [NH3+]C[C@H]1CC(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)=NO1 ZINC000852857715 595579201 /nfs/dbraw/zinc/57/92/01/595579201.db2.gz CYORJMFBSIWNQF-CQSZACIVSA-N 2 2 331.420 1.182 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1 ZINC000855414528 595704616 /nfs/dbraw/zinc/70/46/16/595704616.db2.gz GCJKUCFVTZQLNE-PKOBYXMFSA-N 2 2 349.475 1.490 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@@H](c2ccccc2)O1 ZINC000855414528 595704619 /nfs/dbraw/zinc/70/46/19/595704619.db2.gz GCJKUCFVTZQLNE-PKOBYXMFSA-N 2 2 349.475 1.490 20 0 EDADLP Cc1nc(NCC(=O)N2CC[NH+](C)CC2)c(Br)c(C)[nH+]1 ZINC000853264354 595722428 /nfs/dbraw/zinc/72/24/28/595722428.db2.gz AQUHDTSLTSOISY-UHFFFAOYSA-N 2 2 342.241 1.042 20 0 EDADLP Cc1cc(C(N)=O)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000853441652 595751186 /nfs/dbraw/zinc/75/11/86/595751186.db2.gz AIPBPIOCMUJDKV-UHFFFAOYSA-N 2 2 335.452 1.099 20 0 EDADLP Cc1cc(C(N)=O)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000853441652 595751188 /nfs/dbraw/zinc/75/11/88/595751188.db2.gz AIPBPIOCMUJDKV-UHFFFAOYSA-N 2 2 335.452 1.099 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000853461857 595757115 /nfs/dbraw/zinc/75/71/15/595757115.db2.gz AWPMNEAPMOJDRQ-CABCVRRESA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000853461857 595757118 /nfs/dbraw/zinc/75/71/18/595757118.db2.gz AWPMNEAPMOJDRQ-CABCVRRESA-N 2 2 340.512 1.658 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)n2c1 ZINC000850364452 595820003 /nfs/dbraw/zinc/82/00/03/595820003.db2.gz GRWLJYIRBHEIEO-UHFFFAOYSA-N 2 2 335.351 1.709 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000853595182 595822766 /nfs/dbraw/zinc/82/27/66/595822766.db2.gz YCONTXOEHZVMII-NVXWUHKLSA-N 2 2 340.427 1.847 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000853595182 595822771 /nfs/dbraw/zinc/82/27/71/595822771.db2.gz YCONTXOEHZVMII-NVXWUHKLSA-N 2 2 340.427 1.847 20 0 EDADLP O=[S@@](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC(F)(F)F ZINC000850494636 595843321 /nfs/dbraw/zinc/84/33/21/595843321.db2.gz RGHJBOKNUBJDHJ-XMHCIUCPSA-N 2 2 342.427 1.530 20 0 EDADLP COC(=O)c1sc(NCC[N@H+](C)CCC[NH+](C)C)nc1Cl ZINC000853798482 595883819 /nfs/dbraw/zinc/88/38/19/595883819.db2.gz HQIBLZUOOQDXCD-UHFFFAOYSA-N 2 2 334.873 1.879 20 0 EDADLP COC(=O)c1sc(NCC[N@@H+](C)CCC[NH+](C)C)nc1Cl ZINC000853798482 595883822 /nfs/dbraw/zinc/88/38/22/595883822.db2.gz HQIBLZUOOQDXCD-UHFFFAOYSA-N 2 2 334.873 1.879 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000851948162 595982487 /nfs/dbraw/zinc/98/24/87/595982487.db2.gz RLFUVOKFYQJJHS-OAHLLOKOSA-N 2 2 342.447 1.939 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000851948162 595982489 /nfs/dbraw/zinc/98/24/89/595982489.db2.gz RLFUVOKFYQJJHS-OAHLLOKOSA-N 2 2 342.447 1.939 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)S1 ZINC000859194415 596000231 /nfs/dbraw/zinc/00/02/31/596000231.db2.gz GGGXWDQAVUQQHD-ZDUSSCGKSA-N 2 2 327.494 1.151 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3cc[nH+]c3)C2)ccn1 ZINC000856585416 596022387 /nfs/dbraw/zinc/02/23/87/596022387.db2.gz DROIWYGLEYQFRK-GOSISDBHSA-N 3 2 329.448 1.883 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3cc[nH+]c3)C2)ccn1 ZINC000856585416 596022391 /nfs/dbraw/zinc/02/23/91/596022391.db2.gz DROIWYGLEYQFRK-GOSISDBHSA-N 3 2 329.448 1.883 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)ccn1 ZINC000856585416 596022395 /nfs/dbraw/zinc/02/23/95/596022395.db2.gz DROIWYGLEYQFRK-GOSISDBHSA-N 3 2 329.448 1.883 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)ccn1 ZINC000856585416 596022400 /nfs/dbraw/zinc/02/24/00/596022400.db2.gz DROIWYGLEYQFRK-GOSISDBHSA-N 3 2 329.448 1.883 20 0 EDADLP O=C(CC[NH+]1CCC([NH+]2CCOCC2)CC1)NCC1CCCCC1 ZINC000859354691 596061127 /nfs/dbraw/zinc/06/11/27/596061127.db2.gz GVZKOZFDLMZYBJ-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP CN(CC[NH+]1CCCC1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000112742806 596220114 /nfs/dbraw/zinc/22/01/14/596220114.db2.gz KDDOQBYLAOCYBF-UHFFFAOYSA-N 2 2 328.420 1.505 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cn3cc(F)ccc3[nH+]1)C2 ZINC000868634377 596255267 /nfs/dbraw/zinc/25/52/67/596255267.db2.gz VCURPKZRLFVDLQ-SFHVURJKSA-N 2 2 330.407 1.960 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cn3cc(F)ccc3[nH+]1)C2 ZINC000868634377 596255271 /nfs/dbraw/zinc/25/52/71/596255271.db2.gz VCURPKZRLFVDLQ-SFHVURJKSA-N 2 2 330.407 1.960 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)C2)cc1 ZINC000868674888 596266844 /nfs/dbraw/zinc/26/68/44/596266844.db2.gz CUQIOTBZDZUWLB-FUHWJXTLSA-N 2 2 348.491 1.445 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H](C)[NH+](C)C)C2)cc1 ZINC000868674888 596266847 /nfs/dbraw/zinc/26/68/47/596266847.db2.gz CUQIOTBZDZUWLB-FUHWJXTLSA-N 2 2 348.491 1.445 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2c(I)cnn2C)CC[N@@H+]1C ZINC000866630436 596272207 /nfs/dbraw/zinc/27/22/07/596272207.db2.gz PSFLQDZQRICDBO-NXEZZACHSA-N 2 2 348.232 1.597 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2c(I)cnn2C)CC[N@H+]1C ZINC000866630436 596272209 /nfs/dbraw/zinc/27/22/09/596272209.db2.gz PSFLQDZQRICDBO-NXEZZACHSA-N 2 2 348.232 1.597 20 0 EDADLP Cc1cc(CNC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc(C)[nH+]1 ZINC000868716163 596282113 /nfs/dbraw/zinc/28/21/13/596282113.db2.gz XLNZSGSPTFEVPD-UHFFFAOYSA-N 2 2 345.491 1.620 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000864614790 596284193 /nfs/dbraw/zinc/28/41/93/596284193.db2.gz MRHZBONJOQDNRA-LSDHHAIUSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000864614790 596284194 /nfs/dbraw/zinc/28/41/94/596284194.db2.gz MRHZBONJOQDNRA-LSDHHAIUSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)C1 ZINC000864614790 596284198 /nfs/dbraw/zinc/28/41/98/596284198.db2.gz MRHZBONJOQDNRA-LSDHHAIUSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)C1 ZINC000864614790 596284202 /nfs/dbraw/zinc/28/42/02/596284202.db2.gz MRHZBONJOQDNRA-LSDHHAIUSA-N 2 2 347.450 1.437 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000866683798 596293173 /nfs/dbraw/zinc/29/31/73/596293173.db2.gz XZRLBSBMJAJHFI-HUUCEWRRSA-N 2 2 332.448 1.273 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000866683798 596293176 /nfs/dbraw/zinc/29/31/76/596293176.db2.gz XZRLBSBMJAJHFI-HUUCEWRRSA-N 2 2 332.448 1.273 20 0 EDADLP CC(C)(C)OC(=O)NCCC1CC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000862532026 596340517 /nfs/dbraw/zinc/34/05/17/596340517.db2.gz NTNGKYKXNQWATF-YMAMQOFZSA-N 2 2 327.469 1.336 20 0 EDADLP CC(C)(C)OC(=O)NCCC1CC([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000862532026 596340521 /nfs/dbraw/zinc/34/05/21/596340521.db2.gz NTNGKYKXNQWATF-YMAMQOFZSA-N 2 2 327.469 1.336 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862535991 596341856 /nfs/dbraw/zinc/34/18/56/596341856.db2.gz CJTYVKYEHYOXBB-ILXRZTDVSA-N 2 2 327.469 1.695 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862535991 596341859 /nfs/dbraw/zinc/34/18/59/596341859.db2.gz CJTYVKYEHYOXBB-ILXRZTDVSA-N 2 2 327.469 1.695 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=S)NC3CCOCC3)c2)CC1 ZINC000865252873 596525428 /nfs/dbraw/zinc/52/54/28/596525428.db2.gz AXICPBNIYPVNSX-UHFFFAOYSA-N 2 2 335.477 1.299 20 0 EDADLP CCCn1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)nn1 ZINC000865399277 596562332 /nfs/dbraw/zinc/56/23/32/596562332.db2.gz KPPZKABITLVWRK-INIZCTEOSA-N 2 2 348.520 1.828 20 0 EDADLP CCCNc1cc(NCCC[NH+]2CCC(C(=O)OC)CC2)nc[nH+]1 ZINC000865444684 596576784 /nfs/dbraw/zinc/57/67/84/596576784.db2.gz WSWWNNCUCOVWAW-UHFFFAOYSA-N 2 2 335.452 1.986 20 0 EDADLP CCCNc1cc(NCCC[NH+]2CCC(C(=O)OC)CC2)[nH+]cn1 ZINC000865444684 596576785 /nfs/dbraw/zinc/57/67/85/596576785.db2.gz WSWWNNCUCOVWAW-UHFFFAOYSA-N 2 2 335.452 1.986 20 0 EDADLP COCC[N@H+](C)CC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865443432 596576810 /nfs/dbraw/zinc/57/68/10/596576810.db2.gz CJZUCPKGSALOSN-UHFFFAOYSA-N 2 2 327.469 1.554 20 0 EDADLP COCC[N@@H+](C)CC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865443432 596576811 /nfs/dbraw/zinc/57/68/11/596576811.db2.gz CJZUCPKGSALOSN-UHFFFAOYSA-N 2 2 327.469 1.554 20 0 EDADLP Nc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc(C2CCCC2)[nH+]1 ZINC000865505397 596593521 /nfs/dbraw/zinc/59/35/21/596593521.db2.gz DTLSSOOYUAEFRA-UONOGXRCSA-N 2 2 332.452 1.147 20 0 EDADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000863553130 596615995 /nfs/dbraw/zinc/61/59/95/596615995.db2.gz VLLRUDJPPASBNX-ROUUACIJSA-N 2 2 331.460 1.537 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)cn21 ZINC000865614698 596627352 /nfs/dbraw/zinc/62/73/52/596627352.db2.gz OREUVVQTWWPKQJ-KRWDZBQOSA-N 2 2 340.431 1.746 20 0 EDADLP COCCN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cn1 ZINC000865659415 596640984 /nfs/dbraw/zinc/64/09/84/596640984.db2.gz KCIUVRCIBLSPAH-INIZCTEOSA-N 2 2 336.480 1.099 20 0 EDADLP COCCN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cn1 ZINC000865659415 596640985 /nfs/dbraw/zinc/64/09/85/596640985.db2.gz KCIUVRCIBLSPAH-INIZCTEOSA-N 2 2 336.480 1.099 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])COC(C)C)C2)cc1 ZINC000867998379 596648010 /nfs/dbraw/zinc/64/80/10/596648010.db2.gz VUBICAKBJPOQTG-MSOLQXFVSA-N 2 2 349.475 1.064 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])COC(C)C)C2)cc1 ZINC000867998379 596648011 /nfs/dbraw/zinc/64/80/11/596648011.db2.gz VUBICAKBJPOQTG-MSOLQXFVSA-N 2 2 349.475 1.064 20 0 EDADLP Cc1conc1CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000871730226 596680336 /nfs/dbraw/zinc/68/03/36/596680336.db2.gz VJORERYRZIPPKE-UHFFFAOYSA-N 2 2 344.415 1.986 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000868122577 596693681 /nfs/dbraw/zinc/69/36/81/596693681.db2.gz ZIYNGPGTFAGTEK-HDJSIYSDSA-N 2 2 329.404 1.821 20 0 EDADLP Cn1c[nH+]cc1CCO[NH+]=C(N)[C@@H]1CCC(=O)N(CC2CCC2)C1 ZINC000871773439 596693832 /nfs/dbraw/zinc/69/38/32/596693832.db2.gz VSGDCRIBTFWDIA-CQSZACIVSA-N 2 2 333.436 1.500 20 0 EDADLP COCCN(C)c1ccc(CNc2cc3n(n2)CC[N@H+](C)C3)c[nH+]1 ZINC000865844511 596701087 /nfs/dbraw/zinc/70/10/87/596701087.db2.gz DVTSZIRZRRJWLJ-UHFFFAOYSA-N 2 2 330.436 1.418 20 0 EDADLP COCCN(C)c1ccc(CNc2cc3n(n2)CC[N@@H+](C)C3)c[nH+]1 ZINC000865844511 596701090 /nfs/dbraw/zinc/70/10/90/596701090.db2.gz DVTSZIRZRRJWLJ-UHFFFAOYSA-N 2 2 330.436 1.418 20 0 EDADLP C[NH+](C)C1(CNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCOCC1 ZINC000865874901 596707300 /nfs/dbraw/zinc/70/73/00/596707300.db2.gz BDDRZSUFHNUDHU-UHFFFAOYSA-N 2 2 334.395 1.243 20 0 EDADLP CC[N@H+](CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1)C(C)C ZINC000868218828 596730622 /nfs/dbraw/zinc/73/06/22/596730622.db2.gz LZTOOWYPJNDJNH-UHFFFAOYSA-N 2 2 348.495 1.077 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1)C(C)C ZINC000868218828 596730624 /nfs/dbraw/zinc/73/06/24/596730624.db2.gz LZTOOWYPJNDJNH-UHFFFAOYSA-N 2 2 348.495 1.077 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000868217977 596730794 /nfs/dbraw/zinc/73/07/94/596730794.db2.gz XPQHZHJUHHKAGT-NUJGCVRESA-N 2 2 344.459 1.336 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000868217977 596730796 /nfs/dbraw/zinc/73/07/96/596730796.db2.gz XPQHZHJUHHKAGT-NUJGCVRESA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000868217977 596730797 /nfs/dbraw/zinc/73/07/97/596730797.db2.gz XPQHZHJUHHKAGT-NUJGCVRESA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000868217977 596730799 /nfs/dbraw/zinc/73/07/99/596730799.db2.gz XPQHZHJUHHKAGT-NUJGCVRESA-N 2 2 344.459 1.336 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870085576 596742650 /nfs/dbraw/zinc/74/26/50/596742650.db2.gz NPSPCAKVBOSLAC-PBHICJAKSA-N 2 2 326.400 1.324 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@H](O)CC(C)(C)O)CC2)nc(C(C)C)[nH+]1 ZINC000871970173 596766629 /nfs/dbraw/zinc/76/66/29/596766629.db2.gz HSJXGWLWKOJRFC-OAHLLOKOSA-N 2 2 336.480 1.552 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872149030 596812811 /nfs/dbraw/zinc/81/28/11/596812811.db2.gz SIHFRBZCAOYRPZ-OCCSQVGLSA-N 2 2 345.365 1.380 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872149030 596812814 /nfs/dbraw/zinc/81/28/14/596812814.db2.gz SIHFRBZCAOYRPZ-OCCSQVGLSA-N 2 2 345.365 1.380 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872225540 596843787 /nfs/dbraw/zinc/84/37/87/596843787.db2.gz CNPCNPRSSIXMQC-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000872225540 596843789 /nfs/dbraw/zinc/84/37/89/596843789.db2.gz CNPCNPRSSIXMQC-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000872225540 596843793 /nfs/dbraw/zinc/84/37/93/596843793.db2.gz CNPCNPRSSIXMQC-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000872225540 596843798 /nfs/dbraw/zinc/84/37/98/596843798.db2.gz CNPCNPRSSIXMQC-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1CN1CCO[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872225540 596843801 /nfs/dbraw/zinc/84/38/01/596843801.db2.gz CNPCNPRSSIXMQC-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1CN1CCO[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000872225540 596843804 /nfs/dbraw/zinc/84/38/04/596843804.db2.gz CNPCNPRSSIXMQC-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000868519532 596871170 /nfs/dbraw/zinc/87/11/70/596871170.db2.gz HYQCBKHVIFOTIT-GDBMZVCRSA-N 2 2 325.416 1.684 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000868519532 596871173 /nfs/dbraw/zinc/87/11/73/596871173.db2.gz HYQCBKHVIFOTIT-GDBMZVCRSA-N 2 2 325.416 1.684 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000875589573 596907304 /nfs/dbraw/zinc/90/73/04/596907304.db2.gz AOWOZVYIIHNDHD-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000875589573 596907307 /nfs/dbraw/zinc/90/73/07/596907307.db2.gz AOWOZVYIIHNDHD-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875589573 596907310 /nfs/dbraw/zinc/90/73/10/596907310.db2.gz AOWOZVYIIHNDHD-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875589573 596907313 /nfs/dbraw/zinc/90/73/13/596907313.db2.gz AOWOZVYIIHNDHD-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@@H]1C[N@H+](CN2CCC3(CCCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872596493 596981611 /nfs/dbraw/zinc/98/16/11/596981611.db2.gz XDWAZGNOVRHILX-MSOLQXFVSA-N 2 2 348.535 1.694 20 0 EDADLP C[C@@H]1C[N@@H+](CN2CCC3(CCCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872596493 596981614 /nfs/dbraw/zinc/98/16/14/596981614.db2.gz XDWAZGNOVRHILX-MSOLQXFVSA-N 2 2 348.535 1.694 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000876208883 597138069 /nfs/dbraw/zinc/13/80/69/597138069.db2.gz VSDUHPVXQFLFMW-SFHVURJKSA-N 2 2 346.475 1.537 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000876208883 597138070 /nfs/dbraw/zinc/13/80/70/597138070.db2.gz VSDUHPVXQFLFMW-SFHVURJKSA-N 2 2 346.475 1.537 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000874702176 597145594 /nfs/dbraw/zinc/14/55/94/597145594.db2.gz CNMLMZRLPPCPDR-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000874702176 597145596 /nfs/dbraw/zinc/14/55/96/597145596.db2.gz CNMLMZRLPPCPDR-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3c[nH+]cn3C)CC2)CC1 ZINC000876305692 597166905 /nfs/dbraw/zinc/16/69/05/597166905.db2.gz QJVFUAKFXGGSPN-UHFFFAOYSA-N 3 2 348.495 1.122 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3c[nH+]cn3C)CC2)CC1 ZINC000876305692 597166907 /nfs/dbraw/zinc/16/69/07/597166907.db2.gz QJVFUAKFXGGSPN-UHFFFAOYSA-N 3 2 348.495 1.122 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3cncn3C)CC2)CC1 ZINC000876305692 597166910 /nfs/dbraw/zinc/16/69/10/597166910.db2.gz QJVFUAKFXGGSPN-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3cncn3C)CC2)CC1 ZINC000876305692 597166914 /nfs/dbraw/zinc/16/69/14/597166914.db2.gz QJVFUAKFXGGSPN-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c(C)[nH+]1 ZINC000873102241 597195484 /nfs/dbraw/zinc/19/54/84/597195484.db2.gz NFEABNBJPBCIHC-INIZCTEOSA-N 2 2 338.411 1.468 20 0 EDADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccc2[nH+]ccn2c1 ZINC000873310379 597253167 /nfs/dbraw/zinc/25/31/67/597253167.db2.gz ULSOEIKCLLTSDI-AWEZNQCLSA-N 2 2 329.404 1.615 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000875098670 597280415 /nfs/dbraw/zinc/28/04/15/597280415.db2.gz ALLQYWGQAMJVDB-JKSUJKDBSA-N 2 2 328.501 1.373 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000875098670 597280417 /nfs/dbraw/zinc/28/04/17/597280417.db2.gz ALLQYWGQAMJVDB-JKSUJKDBSA-N 2 2 328.501 1.373 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cn2c1 ZINC000875133148 597295843 /nfs/dbraw/zinc/29/58/43/597295843.db2.gz YIPWAIJYPNSKAY-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)cn2c1 ZINC000875133148 597295844 /nfs/dbraw/zinc/29/58/44/597295844.db2.gz YIPWAIJYPNSKAY-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C\[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876742778 597317751 /nfs/dbraw/zinc/31/77/51/597317751.db2.gz TUFWKZPLOXQVTM-YIEVGGLXSA-N 3 2 334.508 1.217 20 0 EDADLP [NH3+]Cc1cc(NC(=O)/C=C/C[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000876833139 597353811 /nfs/dbraw/zinc/35/38/11/597353811.db2.gz FGQHZWZHICDJHF-OWOJBTEDSA-N 2 2 343.349 1.991 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000875332876 597388073 /nfs/dbraw/zinc/38/80/73/597388073.db2.gz MVNGPRNYGVPSFI-QGZVFWFLSA-N 2 2 342.528 1.905 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000875332876 597388078 /nfs/dbraw/zinc/38/80/78/597388078.db2.gz MVNGPRNYGVPSFI-QGZVFWFLSA-N 2 2 342.528 1.905 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)C2)c1 ZINC000877248302 597478106 /nfs/dbraw/zinc/47/81/06/597478106.db2.gz JSOKNPYHUWIOHU-FGTMMUONSA-N 2 2 345.487 1.685 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)C2)c1 ZINC000877248302 597478107 /nfs/dbraw/zinc/47/81/07/597478107.db2.gz JSOKNPYHUWIOHU-FGTMMUONSA-N 2 2 345.487 1.685 20 0 EDADLP CC(C)(C)OC(=O)NCC(C)(C)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000877559167 597535565 /nfs/dbraw/zinc/53/55/65/597535565.db2.gz SNHLHCCBVZGUNS-OAHLLOKOSA-N 2 2 343.512 1.974 20 0 EDADLP CC(C)(C)OC(=O)NCC(C)(C)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000877559167 597535566 /nfs/dbraw/zinc/53/55/66/597535566.db2.gz SNHLHCCBVZGUNS-OAHLLOKOSA-N 2 2 343.512 1.974 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000877725906 597551221 /nfs/dbraw/zinc/55/12/21/597551221.db2.gz ANCQDYGRSPRVLN-DGCLKSJQSA-N 2 2 338.370 1.571 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877744844 597552295 /nfs/dbraw/zinc/55/22/95/597552295.db2.gz YIHSQBXBCCMRFR-NVXWUHKLSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877744844 597552296 /nfs/dbraw/zinc/55/22/96/597552296.db2.gz YIHSQBXBCCMRFR-NVXWUHKLSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744844 597552297 /nfs/dbraw/zinc/55/22/97/597552297.db2.gz YIHSQBXBCCMRFR-NVXWUHKLSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877744844 597552298 /nfs/dbraw/zinc/55/22/98/597552298.db2.gz YIHSQBXBCCMRFR-NVXWUHKLSA-N 2 2 331.460 1.680 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000877776676 597555009 /nfs/dbraw/zinc/55/50/09/597555009.db2.gz UHFHKNDIMSRNQS-UHFFFAOYSA-N 2 2 339.321 1.378 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590696 597647659 /nfs/dbraw/zinc/64/76/59/597647659.db2.gz ILKYWIILNQHKBY-CALCHBBNSA-N 2 2 336.524 1.488 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878668161 597672874 /nfs/dbraw/zinc/67/28/74/597672874.db2.gz NKINJWYTMOBSRY-INIZCTEOSA-N 2 2 326.481 1.540 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000879685776 597685931 /nfs/dbraw/zinc/68/59/31/597685931.db2.gz LZVRWSDOQIKFFV-LSDHHAIUSA-N 2 2 342.447 1.203 20 0 EDADLP CC[C@@H]1C[C@H](C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000883372108 597726175 /nfs/dbraw/zinc/72/61/75/597726175.db2.gz MNFJHWAPXXYOSQ-CEXWTWQISA-N 2 2 339.524 1.578 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000878829321 597726990 /nfs/dbraw/zinc/72/69/90/597726990.db2.gz HPUOPPZJRBMIRH-HNNXBMFYSA-N 2 2 344.419 1.500 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000878829321 597726993 /nfs/dbraw/zinc/72/69/93/597726993.db2.gz HPUOPPZJRBMIRH-HNNXBMFYSA-N 2 2 344.419 1.500 20 0 EDADLP CC(C)c1cc([C@@H]2CCC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n[nH]1 ZINC000879918341 597763727 /nfs/dbraw/zinc/76/37/27/597763727.db2.gz AWBQKGQVKCQXES-MRXNPFEDSA-N 2 2 347.507 1.877 20 0 EDADLP CC(C)c1cc([C@@H]2CCC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)n[nH]1 ZINC000879918341 597763729 /nfs/dbraw/zinc/76/37/29/597763729.db2.gz AWBQKGQVKCQXES-MRXNPFEDSA-N 2 2 347.507 1.877 20 0 EDADLP CN(C[C@@H](O)C[N@@H+](C)CCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000879080608 597813940 /nfs/dbraw/zinc/81/39/40/597813940.db2.gz MTVJOGJCZMIDJS-AWEZNQCLSA-N 2 2 326.441 1.122 20 0 EDADLP CCCOc1ccnc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000881973752 597823840 /nfs/dbraw/zinc/82/38/40/597823840.db2.gz QULVKDCSHRCSNH-MRXNPFEDSA-N 2 2 333.480 1.870 20 0 EDADLP CCCOc1ccnc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000881973752 597823841 /nfs/dbraw/zinc/82/38/41/597823841.db2.gz QULVKDCSHRCSNH-MRXNPFEDSA-N 2 2 333.480 1.870 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131966 597849548 /nfs/dbraw/zinc/84/95/48/597849548.db2.gz CXLHKPOZOLHQNU-JKSUJKDBSA-N 2 2 330.432 1.283 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131966 597849550 /nfs/dbraw/zinc/84/95/50/597849550.db2.gz CXLHKPOZOLHQNU-JKSUJKDBSA-N 2 2 330.432 1.283 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131966 597849552 /nfs/dbraw/zinc/84/95/52/597849552.db2.gz CXLHKPOZOLHQNU-JKSUJKDBSA-N 2 2 330.432 1.283 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131966 597849554 /nfs/dbraw/zinc/84/95/54/597849554.db2.gz CXLHKPOZOLHQNU-JKSUJKDBSA-N 2 2 330.432 1.283 20 0 EDADLP CN(C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1(C[NH3+])CCCCC1 ZINC000883654220 597849912 /nfs/dbraw/zinc/84/99/12/597849912.db2.gz WOFKGHIRHTWIKN-UHFFFAOYSA-N 2 2 347.463 1.236 20 0 EDADLP CN(C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1(C[NH3+])CCCCC1 ZINC000883654220 597849916 /nfs/dbraw/zinc/84/99/16/597849916.db2.gz WOFKGHIRHTWIKN-UHFFFAOYSA-N 2 2 347.463 1.236 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132967 597850693 /nfs/dbraw/zinc/85/06/93/597850693.db2.gz RRWGXDYHAJXORP-SJORKVTESA-N 2 2 344.459 1.571 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132967 597850695 /nfs/dbraw/zinc/85/06/95/597850695.db2.gz RRWGXDYHAJXORP-SJORKVTESA-N 2 2 344.459 1.571 20 0 EDADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132967 597850698 /nfs/dbraw/zinc/85/06/98/597850698.db2.gz RRWGXDYHAJXORP-SJORKVTESA-N 2 2 344.459 1.571 20 0 EDADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132967 597850699 /nfs/dbraw/zinc/85/06/99/597850699.db2.gz RRWGXDYHAJXORP-SJORKVTESA-N 2 2 344.459 1.571 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000879221278 597855605 /nfs/dbraw/zinc/85/56/05/597855605.db2.gz KECMNKMERUIMNS-QLFBSQMISA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000879221278 597855607 /nfs/dbraw/zinc/85/56/07/597855607.db2.gz KECMNKMERUIMNS-QLFBSQMISA-N 2 2 327.469 1.431 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000880254782 597884487 /nfs/dbraw/zinc/88/44/87/597884487.db2.gz NTCRYKOUWKJKRW-IXDOHACOSA-N 2 2 335.492 1.750 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](CF)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000880289949 597893415 /nfs/dbraw/zinc/89/34/15/597893415.db2.gz RZSJDYAMFAXZMT-INIZCTEOSA-N 2 2 341.471 1.429 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](CF)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000880289949 597893418 /nfs/dbraw/zinc/89/34/18/597893418.db2.gz RZSJDYAMFAXZMT-INIZCTEOSA-N 2 2 341.471 1.429 20 0 EDADLP OC[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1CO ZINC000879364979 597900035 /nfs/dbraw/zinc/90/00/35/597900035.db2.gz ZZYVBMQHPMSQDH-XUVXKRRUSA-N 2 2 348.487 1.343 20 0 EDADLP OC[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@H]1CO ZINC000879364979 597900040 /nfs/dbraw/zinc/90/00/40/597900040.db2.gz ZZYVBMQHPMSQDH-XUVXKRRUSA-N 2 2 348.487 1.343 20 0 EDADLP OC[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]1CO ZINC000879364979 597900042 /nfs/dbraw/zinc/90/00/42/597900042.db2.gz ZZYVBMQHPMSQDH-XUVXKRRUSA-N 2 2 348.487 1.343 20 0 EDADLP OC[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]1CO ZINC000879364979 597900046 /nfs/dbraw/zinc/90/00/46/597900046.db2.gz ZZYVBMQHPMSQDH-XUVXKRRUSA-N 2 2 348.487 1.343 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000884192269 598021479 /nfs/dbraw/zinc/02/14/79/598021479.db2.gz AWOVHNOIYWKVNM-UHFFFAOYSA-N 2 2 328.416 1.912 20 0 EDADLP COCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000884212163 598030673 /nfs/dbraw/zinc/03/06/73/598030673.db2.gz XOAOIDUDQRXFRS-YOEHRIQHSA-N 2 2 335.448 1.264 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000884212467 598030835 /nfs/dbraw/zinc/03/08/35/598030835.db2.gz GIBNTCGZSFOXSM-CABCVRRESA-N 2 2 335.448 1.124 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000914081235 695078491 /nfs/dbraw/zinc/07/84/91/695078491.db2.gz SBZZQJZWVMFREF-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CN1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCC1=O ZINC000152445979 695134618 /nfs/dbraw/zinc/13/46/18/695134618.db2.gz RRYGGSNUYMPXRN-INIZCTEOSA-N 2 2 330.476 1.932 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000914141935 695153192 /nfs/dbraw/zinc/15/31/92/695153192.db2.gz UNOLYWNNYWNFRP-GOSISDBHSA-N 2 2 348.491 1.658 20 0 EDADLP Cc1cc(F)ccc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939856788 699995712 /nfs/dbraw/zinc/99/57/12/699995712.db2.gz PZZSYCYTHHQVBS-PBHICJAKSA-N 2 2 330.407 1.967 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cscn3)[C@@H]2C1 ZINC000992925496 695456858 /nfs/dbraw/zinc/45/68/58/695456858.db2.gz PCTLNLXIRQGXFL-IMJJTQAJSA-N 2 2 345.472 1.757 20 0 EDADLP Cn1nccc1CC[NH+]1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001031104123 695527173 /nfs/dbraw/zinc/52/71/73/695527173.db2.gz HZJAAZPCGFOWPZ-UHFFFAOYSA-N 2 2 341.459 1.138 20 0 EDADLP CC[C@@H](C(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1)[NH+](C)C ZINC001060765293 700021367 /nfs/dbraw/zinc/02/13/67/700021367.db2.gz ZOAMWKGUYDXHQQ-JYJNAYRXSA-N 2 2 349.479 1.015 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)cc[nH+]1 ZINC001060535435 695834252 /nfs/dbraw/zinc/83/42/52/695834252.db2.gz NXMBESJDOZXPRC-HRCADAONSA-N 2 2 329.448 1.530 20 0 EDADLP Cc1ncoc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915500265 695936322 /nfs/dbraw/zinc/93/63/22/695936322.db2.gz HVMLIUZGWYQKMF-UHFFFAOYSA-N 2 2 335.452 1.341 20 0 EDADLP COCc1ccc(C[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031252124 696006798 /nfs/dbraw/zinc/00/67/98/696006798.db2.gz AWHVSUYLJPQMLU-KRWDZBQOSA-N 2 2 331.460 1.475 20 0 EDADLP COCc1ccc(C[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031252124 696006802 /nfs/dbraw/zinc/00/68/02/696006802.db2.gz AWHVSUYLJPQMLU-KRWDZBQOSA-N 2 2 331.460 1.475 20 0 EDADLP COc1cc[nH+]c(CN2CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)c1 ZINC001031253752 696021808 /nfs/dbraw/zinc/02/18/08/696021808.db2.gz KEYMTZFWBLIYAI-WMLDXEAASA-N 2 2 346.475 1.511 20 0 EDADLP O=C(NC1C[NH+](CC[C@H]2CC2(Cl)Cl)C1)C12CC[NH+](CC1)C2 ZINC001031266712 696079770 /nfs/dbraw/zinc/07/97/70/696079770.db2.gz YTTRQMWNHQFZKM-NSHDSACASA-N 2 2 332.275 1.467 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC[N@@H+]1CCCO ZINC000993620108 696262877 /nfs/dbraw/zinc/26/28/77/696262877.db2.gz DAHDGPPRMIVTJU-YJBOKZPZSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC[N@H+]1CCCO ZINC000993620108 696262879 /nfs/dbraw/zinc/26/28/79/696262879.db2.gz DAHDGPPRMIVTJU-YJBOKZPZSA-N 2 2 342.443 1.837 20 0 EDADLP Cc1cccnc1C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994214007 696584508 /nfs/dbraw/zinc/58/45/08/696584508.db2.gz VBGYQUVRURGKRV-NVXWUHKLSA-N 2 2 341.459 1.835 20 0 EDADLP Cc1cccnc1C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994214007 696584510 /nfs/dbraw/zinc/58/45/10/696584510.db2.gz VBGYQUVRURGKRV-NVXWUHKLSA-N 2 2 341.459 1.835 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000994215094 696585755 /nfs/dbraw/zinc/58/57/55/696585755.db2.gz XJDCZMGMRPVLDK-HOCLYGCPSA-N 2 2 343.431 1.496 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H]1C ZINC000994215094 696585757 /nfs/dbraw/zinc/58/57/57/696585757.db2.gz XJDCZMGMRPVLDK-HOCLYGCPSA-N 2 2 343.431 1.496 20 0 EDADLP Cc1nnsc1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994409255 696831828 /nfs/dbraw/zinc/83/18/28/696831828.db2.gz QJTUTWGLRCHSCN-KBPBESRZSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994409255 696831832 /nfs/dbraw/zinc/83/18/32/696831832.db2.gz QJTUTWGLRCHSCN-KBPBESRZSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)[C@H]1C ZINC000994424084 696846059 /nfs/dbraw/zinc/84/60/59/696846059.db2.gz PURQSFFZOHGKJE-XJKSGUPXSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2C)[C@H]1C ZINC000994424084 696846060 /nfs/dbraw/zinc/84/60/60/696846060.db2.gz PURQSFFZOHGKJE-XJKSGUPXSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994504079 696941589 /nfs/dbraw/zinc/94/15/89/696941589.db2.gz GLNDPQIPPFYEKH-CABCVRRESA-N 2 2 347.488 1.860 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994504081 696941921 /nfs/dbraw/zinc/94/19/21/696941921.db2.gz GLNDPQIPPFYEKH-GJZGRUSLSA-N 2 2 347.488 1.860 20 0 EDADLP Cc1ncsc1CC[NH+]1CC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001031431273 697092634 /nfs/dbraw/zinc/09/26/34/697092634.db2.gz ISJSCHDLHZRRFV-CHWSQXEVSA-N 2 2 336.505 1.667 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000444790192 697154982 /nfs/dbraw/zinc/15/49/82/697154982.db2.gz HMAZMAXNTSHWAQ-OAHLLOKOSA-N 2 2 348.447 1.011 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000444790192 697154984 /nfs/dbraw/zinc/15/49/84/697154984.db2.gz HMAZMAXNTSHWAQ-OAHLLOKOSA-N 2 2 348.447 1.011 20 0 EDADLP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060722966 697204419 /nfs/dbraw/zinc/20/44/19/697204419.db2.gz BGCAHZINQJBQOB-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031668269 697459897 /nfs/dbraw/zinc/45/98/97/697459897.db2.gz BZTFLFRLZRQWKB-MAUKXSAKSA-N 2 2 346.450 1.643 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031668269 697459898 /nfs/dbraw/zinc/45/98/98/697459898.db2.gz BZTFLFRLZRQWKB-MAUKXSAKSA-N 2 2 346.450 1.643 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921181282 697525505 /nfs/dbraw/zinc/52/55/05/697525505.db2.gz JDNWGORXPYFJKO-UHFFFAOYSA-N 2 2 327.498 1.736 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921181282 697525507 /nfs/dbraw/zinc/52/55/07/697525507.db2.gz JDNWGORXPYFJKO-UHFFFAOYSA-N 2 2 327.498 1.736 20 0 EDADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000921363696 697567827 /nfs/dbraw/zinc/56/78/27/697567827.db2.gz IWBRZICTCMVMMN-AWEZNQCLSA-N 2 2 336.484 1.358 20 0 EDADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000921363696 697567829 /nfs/dbraw/zinc/56/78/29/697567829.db2.gz IWBRZICTCMVMMN-AWEZNQCLSA-N 2 2 336.484 1.358 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)c(C)n1 ZINC000943177785 697873964 /nfs/dbraw/zinc/87/39/64/697873964.db2.gz PVENPCGWXFZFRK-UGSOOPFHSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)c(C)n1 ZINC000943177785 697873966 /nfs/dbraw/zinc/87/39/66/697873966.db2.gz PVENPCGWXFZFRK-UGSOOPFHSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000943331973 698148080 /nfs/dbraw/zinc/14/80/80/698148080.db2.gz AYMWGZDSXSZKQZ-CZUORRHYSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000943331973 698148082 /nfs/dbraw/zinc/14/80/82/698148082.db2.gz AYMWGZDSXSZKQZ-CZUORRHYSA-N 2 2 349.479 1.437 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939137615 699225071 /nfs/dbraw/zinc/22/50/71/699225071.db2.gz LEFBREBEMWJPTH-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)n1 ZINC000939138126 699226303 /nfs/dbraw/zinc/22/63/03/699226303.db2.gz SQTPBCVSYXRIQY-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)n1 ZINC000939138126 699226304 /nfs/dbraw/zinc/22/63/04/699226304.db2.gz SQTPBCVSYXRIQY-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CCc3ccccc3)C2)no1 ZINC001031800222 699316731 /nfs/dbraw/zinc/31/67/31/699316731.db2.gz WTUBMWQXQFJLKK-UHFFFAOYSA-N 2 2 342.443 1.641 20 0 EDADLP Cc1oncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995161683 701584789 /nfs/dbraw/zinc/58/47/89/701584789.db2.gz QBCUOPCBGLLQPQ-HIFRSBDPSA-N 2 2 331.420 1.334 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939209515 699355760 /nfs/dbraw/zinc/35/57/60/699355760.db2.gz GVHGHBAKSKLLJV-BDJLRTHQSA-N 2 2 334.370 1.867 20 0 EDADLP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000941601697 701592820 /nfs/dbraw/zinc/59/28/20/701592820.db2.gz UKRUFENABATJGW-MRXNPFEDSA-N 2 2 347.507 1.463 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)ccc1C ZINC000939411826 699565330 /nfs/dbraw/zinc/56/53/30/699565330.db2.gz DUZZHGUKGHAEOK-HOCLYGCPSA-N 2 2 342.443 1.906 20 0 EDADLP CCC(CC)C[NH+]1CC(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000941639252 701603030 /nfs/dbraw/zinc/60/30/30/701603030.db2.gz OMVCIURXQRIKKX-UHFFFAOYSA-N 2 2 347.507 1.227 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939533696 699671810 /nfs/dbraw/zinc/67/18/10/699671810.db2.gz DMUPEQTZRIKZSF-WFASDCNBSA-N 2 2 347.850 1.648 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cn1 ZINC000939534115 699672506 /nfs/dbraw/zinc/67/25/06/699672506.db2.gz HSVJYKFIJBOOEN-CZUORRHYSA-N 2 2 343.431 1.003 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)o1 ZINC000939539407 699680231 /nfs/dbraw/zinc/68/02/31/699680231.db2.gz CJOUMWXHTQWNDD-SMDDNHRTSA-N 2 2 345.447 1.929 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1cnns1 ZINC000939550141 699698955 /nfs/dbraw/zinc/69/89/55/699698955.db2.gz GTMZJHYRPNJSSG-BXUZGUMPSA-N 2 2 346.460 1.249 20 0 EDADLP Cc1nonc1C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000939550361 699699470 /nfs/dbraw/zinc/69/94/70/699699470.db2.gz JFFUJIOSJAZQPD-NHYWBVRUSA-N 2 2 344.419 1.089 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cccc(Cl)n2)[C@@H](C)C1 ZINC000939621892 699758508 /nfs/dbraw/zinc/75/85/08/699758508.db2.gz FXZVAROLSKWCMM-NHYWBVRUSA-N 2 2 347.850 1.946 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)cc1 ZINC000939622859 699760065 /nfs/dbraw/zinc/76/00/65/699760065.db2.gz OQVIMHJTGOBJBR-ACJLOTCBSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC000939747447 699893921 /nfs/dbraw/zinc/89/39/21/699893921.db2.gz LCRZUMQXYZSQRR-OCCSQVGLSA-N 2 2 346.435 1.335 20 0 EDADLP C[C@H](c1cnccn1)[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850407 699941565 /nfs/dbraw/zinc/94/15/65/699941565.db2.gz YVSQVORSTOBXIY-CYBMUJFWSA-N 2 2 336.399 1.547 20 0 EDADLP CC(C)n1cc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)nn1 ZINC000940356734 700518395 /nfs/dbraw/zinc/51/83/95/700518395.db2.gz WKHMISYMRKTKKQ-UHFFFAOYSA-N 2 2 345.451 1.296 20 0 EDADLP C[C@H](CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000940357851 700539231 /nfs/dbraw/zinc/53/92/31/700539231.db2.gz MMVPWVFTPKIBCO-CVEARBPZSA-N 2 2 334.464 1.841 20 0 EDADLP CCc1onc(C)c1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397371 700594381 /nfs/dbraw/zinc/59/43/81/700594381.db2.gz LPIPSFMOQHKRNZ-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000940484298 700671780 /nfs/dbraw/zinc/67/17/80/700671780.db2.gz WCWCCJPCPOPPJW-OAHLLOKOSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)no1 ZINC000940621529 700782874 /nfs/dbraw/zinc/78/28/74/700782874.db2.gz SVVABHHCOCTEIM-HOTGVXAUSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)no1 ZINC000940621529 700782876 /nfs/dbraw/zinc/78/28/76/700782876.db2.gz SVVABHHCOCTEIM-HOTGVXAUSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)no1 ZINC000940621529 700782879 /nfs/dbraw/zinc/78/28/79/700782879.db2.gz SVVABHHCOCTEIM-HOTGVXAUSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)no1 ZINC000940621529 700782882 /nfs/dbraw/zinc/78/28/82/700782882.db2.gz SVVABHHCOCTEIM-HOTGVXAUSA-N 2 2 334.464 1.794 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000940850128 700944302 /nfs/dbraw/zinc/94/43/02/700944302.db2.gz BPSOHZPIRPWMMG-ZBFHGGJFSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000940850128 700944304 /nfs/dbraw/zinc/94/43/04/700944304.db2.gz BPSOHZPIRPWMMG-ZBFHGGJFSA-N 2 2 334.464 1.045 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995107965 700960039 /nfs/dbraw/zinc/96/00/39/700960039.db2.gz STEOJSXDMVNKBX-DGCLKSJQSA-N 2 2 326.391 1.872 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000940892252 700967575 /nfs/dbraw/zinc/96/75/75/700967575.db2.gz ATBKGKBEXMAISH-CQSZACIVSA-N 2 2 348.476 1.460 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000940892252 700967576 /nfs/dbraw/zinc/96/75/76/700967576.db2.gz ATBKGKBEXMAISH-CQSZACIVSA-N 2 2 348.476 1.460 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2coc(C)n2)CC1(C)C ZINC000940894350 700985555 /nfs/dbraw/zinc/98/55/55/700985555.db2.gz XXKNAPZFQJMXRS-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2coc(C)n2)CC1(C)C ZINC000940894350 700985556 /nfs/dbraw/zinc/98/55/56/700985556.db2.gz XXKNAPZFQJMXRS-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP COc1ccnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000995117800 701060376 /nfs/dbraw/zinc/06/03/76/701060376.db2.gz QOLKRGLAONCDBB-KBPBESRZSA-N 2 2 343.431 1.431 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941023026 701063268 /nfs/dbraw/zinc/06/32/68/701063268.db2.gz ZNDFFEWKZUAPGO-HIFRSBDPSA-N 2 2 334.464 1.693 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941023026 701063270 /nfs/dbraw/zinc/06/32/70/701063270.db2.gz ZNDFFEWKZUAPGO-HIFRSBDPSA-N 2 2 334.464 1.693 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026815 701066268 /nfs/dbraw/zinc/06/62/68/701066268.db2.gz OFFCOOYQVNDZAF-CJNGLKHVSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026815 701066269 /nfs/dbraw/zinc/06/62/69/701066269.db2.gz OFFCOOYQVNDZAF-CJNGLKHVSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026815 701066270 /nfs/dbraw/zinc/06/62/70/701066270.db2.gz OFFCOOYQVNDZAF-CJNGLKHVSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026815 701066271 /nfs/dbraw/zinc/06/62/71/701066271.db2.gz OFFCOOYQVNDZAF-CJNGLKHVSA-N 2 2 349.479 1.437 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cn(C)nn2)CC1(C)C ZINC000941032602 701074289 /nfs/dbraw/zinc/07/42/89/701074289.db2.gz IVGROEYQDMMCMU-GDBMZVCRSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cn(C)nn2)CC1(C)C ZINC000941032602 701074291 /nfs/dbraw/zinc/07/42/91/701074291.db2.gz IVGROEYQDMMCMU-GDBMZVCRSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nn2)CC1(C)C ZINC000941032602 701074294 /nfs/dbraw/zinc/07/42/94/701074294.db2.gz IVGROEYQDMMCMU-GDBMZVCRSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nn2)CC1(C)C ZINC000941032602 701074296 /nfs/dbraw/zinc/07/42/96/701074296.db2.gz IVGROEYQDMMCMU-GDBMZVCRSA-N 2 2 348.495 1.016 20 0 EDADLP CC1(C)C[N@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061640 701108886 /nfs/dbraw/zinc/10/88/86/701108886.db2.gz OFJNVMJAYKUAGK-QGZVFWFLSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061640 701108887 /nfs/dbraw/zinc/10/88/87/701108887.db2.gz OFJNVMJAYKUAGK-QGZVFWFLSA-N 2 2 348.491 1.986 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C)c(F)c3)C2)C1 ZINC001032197456 701693909 /nfs/dbraw/zinc/69/39/09/701693909.db2.gz KUBBWKQAZILGKI-GOSISDBHSA-N 2 2 349.450 1.403 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C)c(F)c3)C2)C1 ZINC001032197456 701693910 /nfs/dbraw/zinc/69/39/10/701693910.db2.gz KUBBWKQAZILGKI-GOSISDBHSA-N 2 2 349.450 1.403 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)sn1 ZINC000945808306 701199525 /nfs/dbraw/zinc/19/95/25/701199525.db2.gz OAPAYYZCVQLPLX-GXTWGEPZSA-N 2 2 349.460 1.375 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)sn1 ZINC000945808306 701199526 /nfs/dbraw/zinc/19/95/26/701199526.db2.gz OAPAYYZCVQLPLX-GXTWGEPZSA-N 2 2 349.460 1.375 20 0 EDADLP CC1(C)C[N@H+](Cc2ncccn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166857 701377522 /nfs/dbraw/zinc/37/75/22/701377522.db2.gz JQKAPRSNKRWVDI-OAHLLOKOSA-N 2 2 343.475 1.289 20 0 EDADLP CC1(C)C[N@@H+](Cc2ncccn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166857 701377524 /nfs/dbraw/zinc/37/75/24/701377524.db2.gz JQKAPRSNKRWVDI-OAHLLOKOSA-N 2 2 343.475 1.289 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000941166777 701377534 /nfs/dbraw/zinc/37/75/34/701377534.db2.gz ILXWANUKJDUBJS-RDJZCZTQSA-N 2 2 348.491 1.606 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000941166777 701377535 /nfs/dbraw/zinc/37/75/35/701377535.db2.gz ILXWANUKJDUBJS-RDJZCZTQSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1ncccc1C[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031932550 701385958 /nfs/dbraw/zinc/38/59/58/701385958.db2.gz SGMSIFBBKCBGMJ-UHFFFAOYSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)on1 ZINC000941253393 701431676 /nfs/dbraw/zinc/43/16/76/701431676.db2.gz WQGJPEAQWWBFRP-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)on1 ZINC000941253393 701431678 /nfs/dbraw/zinc/43/16/78/701431678.db2.gz WQGJPEAQWWBFRP-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCN(C3C[NH+](CC4CC4)C3)CC2)c[nH+]1 ZINC000941452042 701547589 /nfs/dbraw/zinc/54/75/89/701547589.db2.gz UQIPVPRLZCBFCN-UHFFFAOYSA-N 2 2 345.491 1.165 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)o1 ZINC001032129079 701808162 /nfs/dbraw/zinc/80/81/62/701808162.db2.gz PZIXZSPMKBKKEY-JKSUJKDBSA-N 2 2 334.464 1.651 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001032201507 701824052 /nfs/dbraw/zinc/82/40/52/701824052.db2.gz GIVXXSGWOHONFA-QBUQCISBSA-N 2 2 343.471 1.469 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001032201507 701824059 /nfs/dbraw/zinc/82/40/59/701824059.db2.gz GIVXXSGWOHONFA-QBUQCISBSA-N 2 2 343.471 1.469 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032134308 701891287 /nfs/dbraw/zinc/89/12/87/701891287.db2.gz TWVBEWZAMMGQBP-UHFFFAOYSA-N 2 2 340.431 1.108 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC000999188873 706630429 /nfs/dbraw/zinc/63/04/29/706630429.db2.gz DZZCTCRSAKHNHJ-QLFBSQMISA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC000999188873 706630431 /nfs/dbraw/zinc/63/04/31/706630431.db2.gz DZZCTCRSAKHNHJ-QLFBSQMISA-N 2 2 349.479 1.614 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@@H]1C ZINC000944444082 702029113 /nfs/dbraw/zinc/02/91/13/702029113.db2.gz IJFCQCHZUZHIAG-LRDDRELGSA-N 2 2 342.447 1.386 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@@H]1C ZINC000944444082 702029117 /nfs/dbraw/zinc/02/91/17/702029117.db2.gz IJFCQCHZUZHIAG-LRDDRELGSA-N 2 2 342.447 1.386 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCc2ccnn2C)C[C@H]1C ZINC000944444902 702032077 /nfs/dbraw/zinc/03/20/77/702032077.db2.gz MKUKBHCZXQXIHT-CJNGLKHVSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)C[C@H]1C ZINC000944444902 702032083 /nfs/dbraw/zinc/03/20/83/702032083.db2.gz MKUKBHCZXQXIHT-CJNGLKHVSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nccn2C)C1 ZINC000995185321 702122771 /nfs/dbraw/zinc/12/27/71/702122771.db2.gz NLKGOFHVBDZLGE-KBPBESRZSA-N 2 2 330.436 1.069 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001032206235 702133685 /nfs/dbraw/zinc/13/36/85/702133685.db2.gz VMCLPFVXSPFHST-YJBOKZPZSA-N 2 2 345.491 1.768 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001032206235 702133689 /nfs/dbraw/zinc/13/36/89/702133689.db2.gz VMCLPFVXSPFHST-YJBOKZPZSA-N 2 2 345.491 1.768 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)C1 ZINC000995892415 702192237 /nfs/dbraw/zinc/19/22/37/702192237.db2.gz NOAPCAUIMRIAGF-JKSUJKDBSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000995892415 702192244 /nfs/dbraw/zinc/19/22/44/702192244.db2.gz NOAPCAUIMRIAGF-JKSUJKDBSA-N 2 2 348.491 1.984 20 0 EDADLP Cn1c(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc2ccccc21 ZINC001032182708 702207614 /nfs/dbraw/zinc/20/76/14/702207614.db2.gz PWZLVJHRYPHQCY-HNNXBMFYSA-N 2 2 341.459 1.073 20 0 EDADLP Cn1c(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)nc2ccccc21 ZINC001032182708 702207615 /nfs/dbraw/zinc/20/76/15/702207615.db2.gz PWZLVJHRYPHQCY-HNNXBMFYSA-N 2 2 341.459 1.073 20 0 EDADLP C[C@H]1C[N@H+](CCOC2CCC2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097281 702262181 /nfs/dbraw/zinc/26/21/81/702262181.db2.gz FXLJCFCOZDRJML-YOEHRIQHSA-N 2 2 334.464 1.358 20 0 EDADLP C[C@H]1C[N@@H+](CCOC2CCC2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097281 702262184 /nfs/dbraw/zinc/26/21/84/702262184.db2.gz FXLJCFCOZDRJML-YOEHRIQHSA-N 2 2 334.464 1.358 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1)[NH+](C)C ZINC000995949304 702298587 /nfs/dbraw/zinc/29/85/87/702298587.db2.gz MEFOUXUSFZKRQG-ZIAGYGMSSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)n1 ZINC000995994507 702372122 /nfs/dbraw/zinc/37/21/22/702372122.db2.gz DYYBSEZQKIEVGE-AWEZNQCLSA-N 2 2 347.463 1.333 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031987121 702412289 /nfs/dbraw/zinc/41/22/89/702412289.db2.gz UOLPSKVJSCTLJZ-IAGOWNOFSA-N 2 2 346.475 1.388 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC000995550033 702543595 /nfs/dbraw/zinc/54/35/95/702543595.db2.gz HBJJRHXCCJHLJD-ZIAGYGMSSA-N 2 2 347.463 1.368 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC000995550033 702543599 /nfs/dbraw/zinc/54/35/99/702543599.db2.gz HBJJRHXCCJHLJD-ZIAGYGMSSA-N 2 2 347.463 1.368 20 0 EDADLP CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)CC1 ZINC001040947481 702560130 /nfs/dbraw/zinc/56/01/30/702560130.db2.gz ZPLCHMHZBLJQMZ-KRWDZBQOSA-N 2 2 335.492 1.432 20 0 EDADLP CCc1noc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC000995205855 702645276 /nfs/dbraw/zinc/64/52/76/702645276.db2.gz CPJJLMRVZVQQLR-ZIAGYGMSSA-N 2 2 346.435 1.212 20 0 EDADLP Cc1ncsc1CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996356241 702733702 /nfs/dbraw/zinc/73/37/02/702733702.db2.gz QYQNFTYOSZYZKS-HNNXBMFYSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC000996450682 702796071 /nfs/dbraw/zinc/79/60/71/702796071.db2.gz XJAQLIDWWBPWJW-MRXNPFEDSA-N 2 2 349.479 1.437 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996514881 702850218 /nfs/dbraw/zinc/85/02/18/702850218.db2.gz NONUVGXWBSHVQR-CQSZACIVSA-N 2 2 333.461 1.446 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000996514987 702850752 /nfs/dbraw/zinc/85/07/52/702850752.db2.gz OVRXGAJDBZOQGL-QGZVFWFLSA-N 2 2 326.444 1.989 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996576251 702889410 /nfs/dbraw/zinc/88/94/10/702889410.db2.gz VZKTZUUUWKZBFS-KRWDZBQOSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1ncccc1C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996649458 702951619 /nfs/dbraw/zinc/95/16/19/702951619.db2.gz CWVRSEYUHPTGFY-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1ncccc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996649458 702951620 /nfs/dbraw/zinc/95/16/20/702951620.db2.gz CWVRSEYUHPTGFY-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC000995253878 702991078 /nfs/dbraw/zinc/99/10/78/702991078.db2.gz UCWUASJNAHWZEZ-KBPBESRZSA-N 2 2 333.461 1.723 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@@H]1C ZINC000942517796 703010998 /nfs/dbraw/zinc/01/09/98/703010998.db2.gz GQWAWUFJTWTFES-DZGCQCFKSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)C[C@@H]1C ZINC000942517796 703011000 /nfs/dbraw/zinc/01/10/00/703011000.db2.gz GQWAWUFJTWTFES-DZGCQCFKSA-N 2 2 328.420 1.008 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996717605 703011387 /nfs/dbraw/zinc/01/13/87/703011387.db2.gz QIEWZAKTIUYZKI-UHFFFAOYSA-N 2 2 346.456 1.870 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)s1 ZINC000996716328 703014842 /nfs/dbraw/zinc/01/48/42/703014842.db2.gz QJBOWGUMXWARPV-AWEZNQCLSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C[C@@H]1C ZINC000942518870 703020712 /nfs/dbraw/zinc/02/07/12/703020712.db2.gz YMHZJTFXIMKRIW-HOCLYGCPSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)C[C@@H]1C ZINC000942518870 703020715 /nfs/dbraw/zinc/02/07/15/703020715.db2.gz YMHZJTFXIMKRIW-HOCLYGCPSA-N 2 2 342.447 1.317 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996733037 703029758 /nfs/dbraw/zinc/02/97/58/703029758.db2.gz QNHSLAQQPWYVGW-CYBMUJFWSA-N 2 2 329.404 1.214 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996760598 703049065 /nfs/dbraw/zinc/04/90/65/703049065.db2.gz UUTMEVILKBSSFF-CRAIPNDOSA-N 2 2 346.475 1.595 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996853711 703132086 /nfs/dbraw/zinc/13/20/86/703132086.db2.gz FPNLHTVIMDFABC-OLZOCXBDSA-N 2 2 330.354 1.520 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996860543 703143926 /nfs/dbraw/zinc/14/39/26/703143926.db2.gz SMPJKBMSQLBYGN-OLZOCXBDSA-N 2 2 344.381 1.897 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996980311 703235528 /nfs/dbraw/zinc/23/55/28/703235528.db2.gz QIQAQANIDJOFFZ-HIFRSBDPSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000996980311 703235530 /nfs/dbraw/zinc/23/55/30/703235530.db2.gz QIQAQANIDJOFFZ-HIFRSBDPSA-N 2 2 349.479 1.443 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000997040304 703291107 /nfs/dbraw/zinc/29/11/07/703291107.db2.gz FRUARCBVFKPEDJ-UHFFFAOYSA-N 2 2 329.404 1.598 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC000997045304 703294046 /nfs/dbraw/zinc/29/40/46/703294046.db2.gz LKZIFYFGFRKDBD-HZPDHXFCSA-N 2 2 334.464 1.841 20 0 EDADLP Cn1cncc1C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997182990 703468205 /nfs/dbraw/zinc/46/82/05/703468205.db2.gz MDYCNSJJKNQLMU-UHFFFAOYSA-N 2 2 330.436 1.202 20 0 EDADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997218393 703496296 /nfs/dbraw/zinc/49/62/96/703496296.db2.gz BDNYYYDEUNKCAF-UONOGXRCSA-N 2 2 330.432 1.545 20 0 EDADLP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997212024 703511299 /nfs/dbraw/zinc/51/12/99/703511299.db2.gz ULIFRPSYRWWPGI-UHFFFAOYSA-N 2 2 331.420 1.646 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460469 703641755 /nfs/dbraw/zinc/64/17/55/703641755.db2.gz OZMXQMNVPBCQRM-DZKIICNBSA-N 2 2 336.505 1.823 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460469 703641756 /nfs/dbraw/zinc/64/17/56/703641756.db2.gz OZMXQMNVPBCQRM-DZKIICNBSA-N 2 2 336.505 1.823 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2noc3c2CCCC3)CC1 ZINC000997412477 703668177 /nfs/dbraw/zinc/66/81/77/703668177.db2.gz AEVBLOVNHGBVNY-UHFFFAOYSA-N 2 2 343.431 1.531 20 0 EDADLP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000997418761 703669698 /nfs/dbraw/zinc/66/96/98/703669698.db2.gz YPVKMXORGGBOBR-UHFFFAOYSA-N 2 2 330.436 1.441 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1 ZINC001032477636 703706864 /nfs/dbraw/zinc/70/68/64/703706864.db2.gz OIYIAQAAKSCDML-QEJZJMRPSA-N 2 2 326.400 1.498 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032477636 703706865 /nfs/dbraw/zinc/70/68/65/703706865.db2.gz OIYIAQAAKSCDML-QEJZJMRPSA-N 2 2 326.400 1.498 20 0 EDADLP CC[NH+](CC)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864560 703776572 /nfs/dbraw/zinc/77/65/72/703776572.db2.gz VAABHJIXXVXUDP-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995553789 703965911 /nfs/dbraw/zinc/96/59/11/703965911.db2.gz TVWGBNHUNWETOY-ZIAGYGMSSA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995553789 703965913 /nfs/dbraw/zinc/96/59/13/703965913.db2.gz TVWGBNHUNWETOY-ZIAGYGMSSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)no1 ZINC001033081817 704138206 /nfs/dbraw/zinc/13/82/06/704138206.db2.gz OCFAWJVMFJGROX-SJORKVTESA-N 2 2 332.448 1.358 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)no1 ZINC001033081817 704138210 /nfs/dbraw/zinc/13/82/10/704138210.db2.gz OCFAWJVMFJGROX-SJORKVTESA-N 2 2 332.448 1.358 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)[N@H+](C)C1 ZINC000922659916 704198917 /nfs/dbraw/zinc/19/89/17/704198917.db2.gz WYGVZBWQPBEODU-ULQDDVLXSA-N 2 2 328.416 1.460 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)[N@@H+](C)C1 ZINC000922659916 704198919 /nfs/dbraw/zinc/19/89/19/704198919.db2.gz WYGVZBWQPBEODU-ULQDDVLXSA-N 2 2 328.416 1.460 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000922737144 704286511 /nfs/dbraw/zinc/28/65/11/704286511.db2.gz GLOQXAJCXKISAC-QXMXGUDHSA-N 2 2 337.493 1.629 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000922737144 704286515 /nfs/dbraw/zinc/28/65/15/704286515.db2.gz GLOQXAJCXKISAC-QXMXGUDHSA-N 2 2 337.493 1.629 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC000999307236 706807123 /nfs/dbraw/zinc/80/71/23/706807123.db2.gz MVUYGGYYSCFELN-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC000999307236 706807126 /nfs/dbraw/zinc/80/71/26/706807126.db2.gz MVUYGGYYSCFELN-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004454919 704448432 /nfs/dbraw/zinc/44/84/32/704448432.db2.gz AWVYVMBSDUKLRL-KRWDZBQOSA-N 2 2 334.464 1.692 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004454919 704448434 /nfs/dbraw/zinc/44/84/34/704448434.db2.gz AWVYVMBSDUKLRL-KRWDZBQOSA-N 2 2 334.464 1.692 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004454919 704448435 /nfs/dbraw/zinc/44/84/35/704448435.db2.gz AWVYVMBSDUKLRL-KRWDZBQOSA-N 2 2 334.464 1.692 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004454919 704448437 /nfs/dbraw/zinc/44/84/37/704448437.db2.gz AWVYVMBSDUKLRL-KRWDZBQOSA-N 2 2 334.464 1.692 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CCO1 ZINC000997732190 704623691 /nfs/dbraw/zinc/62/36/91/704623691.db2.gz DDCJWJCQJRLSAD-WBVHZDCISA-N 2 2 348.491 1.986 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997738653 704636023 /nfs/dbraw/zinc/63/60/23/704636023.db2.gz QFQMTGFHTQXRAZ-UHFFFAOYSA-N 2 2 328.420 1.161 20 0 EDADLP COCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997749700 704649897 /nfs/dbraw/zinc/64/98/97/704649897.db2.gz XXEDZGMENSTWOP-DZGCQCFKSA-N 2 2 334.464 1.693 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000997866441 704773261 /nfs/dbraw/zinc/77/32/61/704773261.db2.gz SRILQAPQXVMQJY-HNNXBMFYSA-N 2 2 349.479 1.445 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000997866441 704773264 /nfs/dbraw/zinc/77/32/64/704773264.db2.gz SRILQAPQXVMQJY-HNNXBMFYSA-N 2 2 349.479 1.445 20 0 EDADLP C[C@@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942560 704794715 /nfs/dbraw/zinc/79/47/15/704794715.db2.gz BCJMUXQSHJZGRL-PBHICJAKSA-N 2 2 346.475 1.974 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942560 704794718 /nfs/dbraw/zinc/79/47/18/704794718.db2.gz BCJMUXQSHJZGRL-PBHICJAKSA-N 2 2 346.475 1.974 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944943396 704795811 /nfs/dbraw/zinc/79/58/11/704795811.db2.gz HJKONNGKCFNRNU-GOEBONIOSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944943396 704795813 /nfs/dbraw/zinc/79/58/13/704795813.db2.gz HJKONNGKCFNRNU-GOEBONIOSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C[C@@H]1C ZINC000944966362 704838562 /nfs/dbraw/zinc/83/85/62/704838562.db2.gz YMEKGQSQAXBUSU-GOEBONIOSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C[C@@H]1C ZINC000944966362 704838567 /nfs/dbraw/zinc/83/85/67/704838567.db2.gz YMEKGQSQAXBUSU-GOEBONIOSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000997913773 704975095 /nfs/dbraw/zinc/97/50/95/704975095.db2.gz FBKJKBWLWIABON-CYBMUJFWSA-N 2 2 346.435 1.472 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC000997962575 705096932 /nfs/dbraw/zinc/09/69/32/705096932.db2.gz VJJYXHPONKOFDF-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000997962575 705096937 /nfs/dbraw/zinc/09/69/37/705096937.db2.gz VJJYXHPONKOFDF-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000997962575 705096941 /nfs/dbraw/zinc/09/69/41/705096941.db2.gz VJJYXHPONKOFDF-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000997962575 705096946 /nfs/dbraw/zinc/09/69/46/705096946.db2.gz VJJYXHPONKOFDF-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998046109 705242235 /nfs/dbraw/zinc/24/22/35/705242235.db2.gz MPEOAJAJDNTWSM-JKSUJKDBSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998046109 705242237 /nfs/dbraw/zinc/24/22/37/705242237.db2.gz MPEOAJAJDNTWSM-JKSUJKDBSA-N 2 2 334.464 1.141 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)c1cnccn1 ZINC000998114506 705365034 /nfs/dbraw/zinc/36/50/34/705365034.db2.gz JBVCWGSNGRKGSS-ZDUSSCGKSA-N 2 2 328.420 1.332 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000998181626 705481732 /nfs/dbraw/zinc/48/17/32/705481732.db2.gz IHKZTVFKQWEVBF-UHFFFAOYSA-N 2 2 328.420 1.079 20 0 EDADLP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)o1 ZINC000998184013 705483474 /nfs/dbraw/zinc/48/34/74/705483474.db2.gz RJAVZKWNRHBLLD-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000998221166 705545946 /nfs/dbraw/zinc/54/59/46/705545946.db2.gz CVLWMPPMBVDKEM-UHFFFAOYSA-N 2 2 340.418 1.836 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2cnc(C)nc2)CC1 ZINC000998243240 705586672 /nfs/dbraw/zinc/58/66/72/705586672.db2.gz FJWKNTVQVQRGNV-UHFFFAOYSA-N 2 2 342.447 1.387 20 0 EDADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)o1 ZINC000998253424 705612377 /nfs/dbraw/zinc/61/23/77/705612377.db2.gz GMTQAYMZWSGMMP-UHFFFAOYSA-N 2 2 346.435 1.073 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000998297487 705700206 /nfs/dbraw/zinc/70/02/06/705700206.db2.gz JZDZCEPTBOSTHB-UHFFFAOYSA-N 2 2 344.419 1.172 20 0 EDADLP CC1(C)CO[C@H](C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000998297462 705700338 /nfs/dbraw/zinc/70/03/38/705700338.db2.gz JJTZANWWYQGJDQ-INIZCTEOSA-N 2 2 334.464 1.526 20 0 EDADLP CC(C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C(F)(F)F ZINC000998300023 705704622 /nfs/dbraw/zinc/70/46/22/705704622.db2.gz DOZBZEWWEYMZEF-KGLIPLIRSA-N 2 2 346.397 1.988 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3noc(C4CC4)n3)C2)CC[N@@H+]1C ZINC000998790729 706237530 /nfs/dbraw/zinc/23/75/30/706237530.db2.gz DATLEWPKHJKJFR-GALLPEHLSA-N 2 2 347.463 1.366 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3noc(C4CC4)n3)C2)CC[N@H+]1C ZINC000998790729 706237532 /nfs/dbraw/zinc/23/75/32/706237532.db2.gz DATLEWPKHJKJFR-GALLPEHLSA-N 2 2 347.463 1.366 20 0 EDADLP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC000998902697 706339668 /nfs/dbraw/zinc/33/96/68/706339668.db2.gz XIKIGRMZCUFQML-RUXDESIVSA-N 2 2 344.419 1.231 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998929098 706357659 /nfs/dbraw/zinc/35/76/59/706357659.db2.gz KTFZNKXFLHOIRJ-UZVIJOLCSA-N 2 2 328.420 1.026 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998929098 706357662 /nfs/dbraw/zinc/35/76/62/706357662.db2.gz KTFZNKXFLHOIRJ-UZVIJOLCSA-N 2 2 328.420 1.026 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]CC[C@H]3CCOC3)C2)c[nH+]1 ZINC000998970831 706391591 /nfs/dbraw/zinc/39/15/91/706391591.db2.gz NPPSVRIFCKHJLP-GTPINHCMSA-N 2 2 348.491 1.932 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+][C@H]2CCCNC2=O)C1 ZINC000998988952 706420921 /nfs/dbraw/zinc/42/09/21/706420921.db2.gz OZKKIQVLDKIHSC-PIMMBPRGSA-N 2 2 341.415 1.034 20 0 EDADLP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999005337 706445626 /nfs/dbraw/zinc/44/56/26/706445626.db2.gz QMYOMXUYFPIPDM-IUDNXUCKSA-N 2 2 343.431 1.521 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]Cc2cncs2)C1 ZINC000999006506 706446698 /nfs/dbraw/zinc/44/66/98/706446698.db2.gz FADWBRPGLDJJHW-OPFPJEHXSA-N 2 2 345.472 1.681 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC000999036220 706451139 /nfs/dbraw/zinc/45/11/39/706451139.db2.gz UCGMNPRWGMEDKA-HNNXBMFYSA-N 2 2 343.431 1.527 20 0 EDADLP CCc1cnc(C[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999128327 706529842 /nfs/dbraw/zinc/52/98/42/706529842.db2.gz XNKHOOQIUXXKEW-UHFFFAOYSA-N 2 2 331.420 1.521 20 0 EDADLP Cc1cc(C)c(C(=O)N(C)C2CC([NH2+]CCn3cncn3)C2)c(C)[nH+]1 ZINC000999146678 706560744 /nfs/dbraw/zinc/56/07/44/706560744.db2.gz GBSANYWTOGCQPC-UHFFFAOYSA-N 2 2 342.447 1.491 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)ccn1 ZINC000999319085 706818717 /nfs/dbraw/zinc/81/87/17/706818717.db2.gz UALZRGZCRGTTPG-MRXNPFEDSA-N 2 2 343.431 1.527 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)ccn1 ZINC000999319085 706818721 /nfs/dbraw/zinc/81/87/21/706818721.db2.gz UALZRGZCRGTTPG-MRXNPFEDSA-N 2 2 343.431 1.527 20 0 EDADLP CN(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001032652145 706588007 /nfs/dbraw/zinc/58/80/07/706588007.db2.gz LYCHPPCEUJVHDX-ROUUACIJSA-N 2 2 339.443 1.504 20 0 EDADLP CN(C)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001032652145 706588010 /nfs/dbraw/zinc/58/80/10/706588010.db2.gz LYCHPPCEUJVHDX-ROUUACIJSA-N 2 2 339.443 1.504 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1csnn1 ZINC000999346856 706858622 /nfs/dbraw/zinc/85/86/22/706858622.db2.gz GSYZYFQQHAFUBS-OLZOCXBDSA-N 2 2 337.493 1.664 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999369747 706883529 /nfs/dbraw/zinc/88/35/29/706883529.db2.gz KKHLXPUSZCABBT-GOEBONIOSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]C[C@@H]3CCCOC3)C2)c[nH+]1 ZINC000999466152 706974266 /nfs/dbraw/zinc/97/42/66/706974266.db2.gz MHUKEMYULOYOQF-IRXDYDNUSA-N 2 2 348.491 1.934 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000999497221 706994593 /nfs/dbraw/zinc/99/45/93/706994593.db2.gz PLTDRHHLEDBMLX-DLBZAZTESA-N 2 2 347.459 1.782 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999533911 707034596 /nfs/dbraw/zinc/03/45/96/707034596.db2.gz BCNMIAWSPIAENC-GJZGRUSLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999534981 707035377 /nfs/dbraw/zinc/03/53/77/707035377.db2.gz IUFOUVQDQTVYFG-SJORKVTESA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000999545948 707045905 /nfs/dbraw/zinc/04/59/05/707045905.db2.gz MKAKFBIILKFLEH-ZIAGYGMSSA-N 2 2 345.472 1.683 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000999605325 707070011 /nfs/dbraw/zinc/07/00/11/707070011.db2.gz HLTQOFAZEZPBKO-UHFFFAOYSA-N 2 2 333.823 1.780 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000999605309 707070045 /nfs/dbraw/zinc/07/00/45/707070045.db2.gz GVFBNASLRIDXHS-UHFFFAOYSA-N 2 2 330.407 1.913 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC000999623900 707146525 /nfs/dbraw/zinc/14/65/25/707146525.db2.gz ZWVIWCURHSAJLK-AWEZNQCLSA-N 2 2 340.387 1.420 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)no1 ZINC000999683114 707203333 /nfs/dbraw/zinc/20/33/33/707203333.db2.gz WJKFOZYWKMMONF-NFOMZHRRSA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)no1 ZINC000999683114 707203336 /nfs/dbraw/zinc/20/33/36/707203336.db2.gz WJKFOZYWKMMONF-NFOMZHRRSA-N 2 2 349.479 1.614 20 0 EDADLP C[C@H]([NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)c1nncn1C ZINC000999697157 707222983 /nfs/dbraw/zinc/22/29/83/707222983.db2.gz JWKYGPUNVLYLFV-HIFPTAJRSA-N 2 2 345.451 1.156 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]CC[C@H]2CCCCO2)C1 ZINC000999747407 707347587 /nfs/dbraw/zinc/34/75/87/707347587.db2.gz NRQDROJTDSLLAB-UYSNPLJNSA-N 2 2 334.464 1.799 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197040 707413106 /nfs/dbraw/zinc/41/31/06/707413106.db2.gz GREVNACEABLLRD-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197040 707413110 /nfs/dbraw/zinc/41/31/10/707413110.db2.gz GREVNACEABLLRD-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033197040 707413113 /nfs/dbraw/zinc/41/31/13/707413113.db2.gz GREVNACEABLLRD-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033197040 707413115 /nfs/dbraw/zinc/41/31/15/707413115.db2.gz GREVNACEABLLRD-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199363 707445351 /nfs/dbraw/zinc/44/53/51/707445351.db2.gz RGVLWFPIXRQALK-DOTOQJQBSA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199363 707445357 /nfs/dbraw/zinc/44/53/57/707445357.db2.gz RGVLWFPIXRQALK-DOTOQJQBSA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033199363 707445360 /nfs/dbraw/zinc/44/53/60/707445360.db2.gz RGVLWFPIXRQALK-DOTOQJQBSA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033199363 707445367 /nfs/dbraw/zinc/44/53/67/707445367.db2.gz RGVLWFPIXRQALK-DOTOQJQBSA-N 2 2 334.464 1.754 20 0 EDADLP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033308217 707472955 /nfs/dbraw/zinc/47/29/55/707472955.db2.gz FHUJAZLPBAGXQJ-YOEHRIQHSA-N 2 2 328.416 1.399 20 0 EDADLP Cc1nnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001004876246 707542893 /nfs/dbraw/zinc/54/28/93/707542893.db2.gz HTCQIYKEGYYDHO-CZUORRHYSA-N 2 2 348.495 1.457 20 0 EDADLP Cc1nnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001004876246 707542895 /nfs/dbraw/zinc/54/28/95/707542895.db2.gz HTCQIYKEGYYDHO-CZUORRHYSA-N 2 2 348.495 1.457 20 0 EDADLP C[C@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004919870 707627850 /nfs/dbraw/zinc/62/78/50/707627850.db2.gz MNPWPUDKNXDPIY-HOTGVXAUSA-N 2 2 344.463 1.566 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033206525 707636336 /nfs/dbraw/zinc/63/63/36/707636336.db2.gz KIUMPCFIGSELNI-SJORKVTESA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033206525 707636337 /nfs/dbraw/zinc/63/63/37/707636337.db2.gz KIUMPCFIGSELNI-SJORKVTESA-N 2 2 346.475 1.405 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccn3)C2)C1 ZINC001033358388 707681513 /nfs/dbraw/zinc/68/15/13/707681513.db2.gz PAYNJKDMDVDBTJ-QZTJIDSGSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccn3)C2)C1 ZINC001033358388 707681516 /nfs/dbraw/zinc/68/15/16/707681516.db2.gz PAYNJKDMDVDBTJ-QZTJIDSGSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccn3)C2)C1 ZINC001033358388 707681518 /nfs/dbraw/zinc/68/15/18/707681518.db2.gz PAYNJKDMDVDBTJ-QZTJIDSGSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001033358388 707681522 /nfs/dbraw/zinc/68/15/22/707681522.db2.gz PAYNJKDMDVDBTJ-QZTJIDSGSA-N 2 2 346.475 1.224 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004962370 707784952 /nfs/dbraw/zinc/78/49/52/707784952.db2.gz BRVLBVDMWRSWSD-WCQYABFASA-N 2 2 348.476 1.672 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)c1 ZINC001033416492 707796265 /nfs/dbraw/zinc/79/62/65/707796265.db2.gz PZLAJGFKUAHTIY-DOTOQJQBSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)c1 ZINC001033416492 707796267 /nfs/dbraw/zinc/79/62/67/707796267.db2.gz PZLAJGFKUAHTIY-DOTOQJQBSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC001033416492 707796269 /nfs/dbraw/zinc/79/62/69/707796269.db2.gz PZLAJGFKUAHTIY-DOTOQJQBSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)c1 ZINC001033416492 707796271 /nfs/dbraw/zinc/79/62/71/707796271.db2.gz PZLAJGFKUAHTIY-DOTOQJQBSA-N 2 2 346.475 1.607 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1C ZINC001033418391 707802303 /nfs/dbraw/zinc/80/23/03/707802303.db2.gz BXQQMCYHYDJJLL-WMLDXEAASA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1C ZINC001033418391 707802307 /nfs/dbraw/zinc/80/23/07/707802307.db2.gz BXQQMCYHYDJJLL-WMLDXEAASA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)nn1C ZINC001033418391 707802309 /nfs/dbraw/zinc/80/23/09/707802309.db2.gz BXQQMCYHYDJJLL-WMLDXEAASA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)nn1C ZINC001033418391 707802312 /nfs/dbraw/zinc/80/23/12/707802312.db2.gz BXQQMCYHYDJJLL-WMLDXEAASA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)on1 ZINC001004975773 707809014 /nfs/dbraw/zinc/80/90/14/707809014.db2.gz LJJNVDVTXVEHEH-WMLDXEAASA-N 2 2 345.447 1.818 20 0 EDADLP C[C@H]([NH2+]Cc1cnsn1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004991264 707855519 /nfs/dbraw/zinc/85/55/19/707855519.db2.gz KPPGFYMRSNZEOP-DZGCQCFKSA-N 2 2 337.493 1.493 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225754 707862602 /nfs/dbraw/zinc/86/26/02/707862602.db2.gz KMGVNTOTATVWFK-MRXNPFEDSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225754 707862605 /nfs/dbraw/zinc/86/26/05/707862605.db2.gz KMGVNTOTATVWFK-MRXNPFEDSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1nocc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005006893 707913904 /nfs/dbraw/zinc/91/39/04/707913904.db2.gz ACSSVFQGAQAZPG-HOCLYGCPSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)cc[nH+]1 ZINC001061020399 708219485 /nfs/dbraw/zinc/21/94/85/708219485.db2.gz MMDFDKFPWSDWNQ-INIZCTEOSA-N 2 2 343.475 1.921 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)c(C)o1 ZINC001033667408 708454592 /nfs/dbraw/zinc/45/45/92/708454592.db2.gz GHOOKCUZFISJPB-HNNXBMFYSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)c(C)o1 ZINC001033667408 708454594 /nfs/dbraw/zinc/45/45/94/708454594.db2.gz GHOOKCUZFISJPB-HNNXBMFYSA-N 2 2 331.420 1.529 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033684146 708496251 /nfs/dbraw/zinc/49/62/51/708496251.db2.gz DRYFESSSQKRTIE-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033684146 708496254 /nfs/dbraw/zinc/49/62/54/708496254.db2.gz DRYFESSSQKRTIE-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033684146 708496256 /nfs/dbraw/zinc/49/62/56/708496256.db2.gz DRYFESSSQKRTIE-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033684146 708496261 /nfs/dbraw/zinc/49/62/61/708496261.db2.gz DRYFESSSQKRTIE-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001001995077 708510436 /nfs/dbraw/zinc/51/04/36/708510436.db2.gz SCNDVHMBUKDYDO-CQSZACIVSA-N 2 2 343.431 1.090 20 0 EDADLP CCc1nnc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001002042746 708532920 /nfs/dbraw/zinc/53/29/20/708532920.db2.gz IGSFDOWPRMXNLF-UHFFFAOYSA-N 2 2 347.463 1.056 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001033704218 708533497 /nfs/dbraw/zinc/53/34/97/708533497.db2.gz PEOXSQZZZREOLZ-KGLIPLIRSA-N 2 2 326.391 1.851 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001033704218 708533502 /nfs/dbraw/zinc/53/35/02/708533502.db2.gz PEOXSQZZZREOLZ-KGLIPLIRSA-N 2 2 326.391 1.851 20 0 EDADLP O=C(NCC1CC[NH+](CCCO)CC1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001002042573 708564023 /nfs/dbraw/zinc/56/40/23/708564023.db2.gz PHIOXVAUIHEBNE-UHFFFAOYSA-N 2 2 343.431 1.092 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nc(C)no2)CC1 ZINC001002155974 708670637 /nfs/dbraw/zinc/67/06/37/708670637.db2.gz DWNDOWCZXWYXBI-INIZCTEOSA-N 2 2 349.479 1.581 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nc(C)no2)CC1 ZINC001002155974 708670639 /nfs/dbraw/zinc/67/06/39/708670639.db2.gz DWNDOWCZXWYXBI-INIZCTEOSA-N 2 2 349.479 1.581 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nonc2C)CC1 ZINC001002160172 708673898 /nfs/dbraw/zinc/67/38/98/708673898.db2.gz UXFVLYWXBLXOCE-QGZVFWFLSA-N 2 2 349.479 1.581 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nonc2C)CC1 ZINC001002160172 708673901 /nfs/dbraw/zinc/67/39/01/708673901.db2.gz UXFVLYWXBLXOCE-QGZVFWFLSA-N 2 2 349.479 1.581 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033789386 708699941 /nfs/dbraw/zinc/69/99/41/708699941.db2.gz NVWGZKWDDKVTAZ-HUUCEWRRSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033789386 708699942 /nfs/dbraw/zinc/69/99/42/708699942.db2.gz NVWGZKWDDKVTAZ-HUUCEWRRSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033789386 708699944 /nfs/dbraw/zinc/69/99/44/708699944.db2.gz NVWGZKWDDKVTAZ-HUUCEWRRSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033789386 708699947 /nfs/dbraw/zinc/69/99/47/708699947.db2.gz NVWGZKWDDKVTAZ-HUUCEWRRSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001033789606 708700450 /nfs/dbraw/zinc/70/04/50/708700450.db2.gz OKIBHXZSSGDWLV-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001033789606 708700451 /nfs/dbraw/zinc/70/04/51/708700451.db2.gz OKIBHXZSSGDWLV-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033789606 708700452 /nfs/dbraw/zinc/70/04/52/708700452.db2.gz OKIBHXZSSGDWLV-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033789606 708700453 /nfs/dbraw/zinc/70/04/53/708700453.db2.gz OKIBHXZSSGDWLV-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033790438 708715068 /nfs/dbraw/zinc/71/50/68/708715068.db2.gz WCZAGPUAAVHFJA-HZPDHXFCSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033790438 708715070 /nfs/dbraw/zinc/71/50/70/708715070.db2.gz WCZAGPUAAVHFJA-HZPDHXFCSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033790438 708715072 /nfs/dbraw/zinc/71/50/72/708715072.db2.gz WCZAGPUAAVHFJA-HZPDHXFCSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033790438 708715073 /nfs/dbraw/zinc/71/50/73/708715073.db2.gz WCZAGPUAAVHFJA-HZPDHXFCSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001033790712 708715406 /nfs/dbraw/zinc/71/54/06/708715406.db2.gz XCXBEKOMEIKKNC-SJLPKXTDSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001033790712 708715410 /nfs/dbraw/zinc/71/54/10/708715410.db2.gz XCXBEKOMEIKKNC-SJLPKXTDSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001033790712 708715412 /nfs/dbraw/zinc/71/54/12/708715412.db2.gz XCXBEKOMEIKKNC-SJLPKXTDSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001033790712 708715415 /nfs/dbraw/zinc/71/54/15/708715415.db2.gz XCXBEKOMEIKKNC-SJLPKXTDSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033827502 708877237 /nfs/dbraw/zinc/87/72/37/708877237.db2.gz FMFHISPSFNANAB-RDJZCZTQSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033827502 708877240 /nfs/dbraw/zinc/87/72/40/708877240.db2.gz FMFHISPSFNANAB-RDJZCZTQSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033827502 708877243 /nfs/dbraw/zinc/87/72/43/708877243.db2.gz FMFHISPSFNANAB-RDJZCZTQSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033827502 708877247 /nfs/dbraw/zinc/87/72/47/708877247.db2.gz FMFHISPSFNANAB-RDJZCZTQSA-N 2 2 348.495 1.111 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001002461920 708987095 /nfs/dbraw/zinc/98/70/95/708987095.db2.gz RXTGATZWQJJRHV-OCCSQVGLSA-N 2 2 335.452 1.368 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001002461920 708987097 /nfs/dbraw/zinc/98/70/97/708987097.db2.gz RXTGATZWQJJRHV-OCCSQVGLSA-N 2 2 335.452 1.368 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033928363 709060149 /nfs/dbraw/zinc/06/01/49/709060149.db2.gz YQIBGZPHQWRLFZ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033928363 709060153 /nfs/dbraw/zinc/06/01/53/709060153.db2.gz YQIBGZPHQWRLFZ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033928363 709060156 /nfs/dbraw/zinc/06/01/56/709060156.db2.gz YQIBGZPHQWRLFZ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033928363 709060159 /nfs/dbraw/zinc/06/01/59/709060159.db2.gz YQIBGZPHQWRLFZ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034005211 709245586 /nfs/dbraw/zinc/24/55/86/709245586.db2.gz SESYCJXNTFZHPL-YJBOKZPZSA-N 2 2 342.443 1.790 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034005211 709245589 /nfs/dbraw/zinc/24/55/89/709245589.db2.gz SESYCJXNTFZHPL-YJBOKZPZSA-N 2 2 342.443 1.790 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC001002792017 709400045 /nfs/dbraw/zinc/40/00/45/709400045.db2.gz MFQLFEHXLRISJT-BBRMVZONSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC001002792017 709400047 /nfs/dbraw/zinc/40/00/47/709400047.db2.gz MFQLFEHXLRISJT-BBRMVZONSA-N 2 2 349.479 1.892 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cncc(F)c2)C1 ZINC001034137133 709408685 /nfs/dbraw/zinc/40/86/85/709408685.db2.gz NJRCUSVSIRKRRQ-IRXDYDNUSA-N 2 2 334.439 1.786 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cncc(F)c2)C1 ZINC001034137133 709408686 /nfs/dbraw/zinc/40/86/86/709408686.db2.gz NJRCUSVSIRKRRQ-IRXDYDNUSA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cncc(F)c2)C1 ZINC001034137133 709408687 /nfs/dbraw/zinc/40/86/87/709408687.db2.gz NJRCUSVSIRKRRQ-IRXDYDNUSA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001034137133 709408688 /nfs/dbraw/zinc/40/86/88/709408688.db2.gz NJRCUSVSIRKRRQ-IRXDYDNUSA-N 2 2 334.439 1.786 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001002956104 709658643 /nfs/dbraw/zinc/65/86/43/709658643.db2.gz RCBZDZJZQNGCNX-MRXNPFEDSA-N 2 2 333.480 1.375 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001002956104 709658645 /nfs/dbraw/zinc/65/86/45/709658645.db2.gz RCBZDZJZQNGCNX-MRXNPFEDSA-N 2 2 333.480 1.375 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC001002956640 709660590 /nfs/dbraw/zinc/66/05/90/709660590.db2.gz YSXBYUKIJHQLAP-SFHVURJKSA-N 2 2 347.507 1.684 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC001002956640 709660591 /nfs/dbraw/zinc/66/05/91/709660591.db2.gz YSXBYUKIJHQLAP-SFHVURJKSA-N 2 2 347.507 1.684 20 0 EDADLP CCc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034308833 709749619 /nfs/dbraw/zinc/74/96/19/709749619.db2.gz GDARJZLCSAMRHF-MRXNPFEDSA-N 2 2 345.447 1.913 20 0 EDADLP CCc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034308833 709749620 /nfs/dbraw/zinc/74/96/20/709749620.db2.gz GDARJZLCSAMRHF-MRXNPFEDSA-N 2 2 345.447 1.913 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001003070391 709920879 /nfs/dbraw/zinc/92/08/79/709920879.db2.gz KXYOHZITYQHNJN-FVQBIDKESA-N 2 2 332.448 1.520 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001003070391 709920880 /nfs/dbraw/zinc/92/08/80/709920880.db2.gz KXYOHZITYQHNJN-FVQBIDKESA-N 2 2 332.448 1.520 20 0 EDADLP COc1cc[nH+]cc1CC(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001003138746 710050051 /nfs/dbraw/zinc/05/00/51/710050051.db2.gz KXIYJUSJFSMUCY-UHFFFAOYSA-N 2 2 347.459 1.640 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003167888 710080159 /nfs/dbraw/zinc/08/01/59/710080159.db2.gz PTXVNMFGXQXZTE-HIFRSBDPSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003167888 710080164 /nfs/dbraw/zinc/08/01/64/710080164.db2.gz PTXVNMFGXQXZTE-HIFRSBDPSA-N 2 2 349.479 1.758 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCCO2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001003190701 710108540 /nfs/dbraw/zinc/10/85/40/710108540.db2.gz RSGITSQBBCQSGG-NVXWUHKLSA-N 2 2 346.475 1.595 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001034483761 710127522 /nfs/dbraw/zinc/12/75/22/710127522.db2.gz FNTKNLDVTJKWPJ-WBVHZDCISA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001034483761 710127524 /nfs/dbraw/zinc/12/75/24/710127524.db2.gz FNTKNLDVTJKWPJ-WBVHZDCISA-N 2 2 348.491 1.748 20 0 EDADLP CCc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001034485932 710132210 /nfs/dbraw/zinc/13/22/10/710132210.db2.gz HMOOJOXENNNEFU-HNNXBMFYSA-N 2 2 346.475 1.804 20 0 EDADLP CCc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001034485932 710132213 /nfs/dbraw/zinc/13/22/13/710132213.db2.gz HMOOJOXENNNEFU-HNNXBMFYSA-N 2 2 346.475 1.804 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034489091 710138138 /nfs/dbraw/zinc/13/81/38/710138138.db2.gz ZZPFONIXSZCFQT-MRXNPFEDSA-N 2 2 343.475 1.352 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034489091 710138143 /nfs/dbraw/zinc/13/81/43/710138143.db2.gz ZZPFONIXSZCFQT-MRXNPFEDSA-N 2 2 343.475 1.352 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001034502540 710143713 /nfs/dbraw/zinc/14/37/13/710143713.db2.gz HWYUTGPALVMYDR-HOTGVXAUSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001034502540 710143717 /nfs/dbraw/zinc/14/37/17/710143717.db2.gz HWYUTGPALVMYDR-HOTGVXAUSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001034502725 710143972 /nfs/dbraw/zinc/14/39/72/710143972.db2.gz HWYUTGPALVMYDR-HZPDHXFCSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001034502725 710143975 /nfs/dbraw/zinc/14/39/75/710143975.db2.gz HWYUTGPALVMYDR-HZPDHXFCSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CCc2ccnn2C)C1 ZINC001034504127 710146948 /nfs/dbraw/zinc/14/69/48/710146948.db2.gz WXLRYTSUGGFAEI-OAHLLOKOSA-N 2 2 344.463 1.208 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CCc2ccnn2C)C1 ZINC001034504127 710146952 /nfs/dbraw/zinc/14/69/52/710146952.db2.gz WXLRYTSUGGFAEI-OAHLLOKOSA-N 2 2 344.463 1.208 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)oc1C ZINC001034524546 710173851 /nfs/dbraw/zinc/17/38/51/710173851.db2.gz HIYTVTIJBVIWHR-HOTGVXAUSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)oc1C ZINC001034524546 710173854 /nfs/dbraw/zinc/17/38/54/710173854.db2.gz HIYTVTIJBVIWHR-HOTGVXAUSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)oc1C ZINC001034524546 710173856 /nfs/dbraw/zinc/17/38/56/710173856.db2.gz HIYTVTIJBVIWHR-HOTGVXAUSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)oc1C ZINC001034524546 710173858 /nfs/dbraw/zinc/17/38/58/710173858.db2.gz HIYTVTIJBVIWHR-HOTGVXAUSA-N 2 2 334.464 1.714 20 0 EDADLP CCn1nc(C)c(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525377 710175007 /nfs/dbraw/zinc/17/50/07/710175007.db2.gz LNZQRSXAKZZRBE-HOTGVXAUSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525377 710175008 /nfs/dbraw/zinc/17/50/08/710175008.db2.gz LNZQRSXAKZZRBE-HOTGVXAUSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525377 710175009 /nfs/dbraw/zinc/17/50/09/710175009.db2.gz LNZQRSXAKZZRBE-HOTGVXAUSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525377 710175010 /nfs/dbraw/zinc/17/50/10/710175010.db2.gz LNZQRSXAKZZRBE-HOTGVXAUSA-N 2 2 348.495 1.029 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc1 ZINC001034526557 710179074 /nfs/dbraw/zinc/17/90/74/710179074.db2.gz ZGXYMEDMKMRXJJ-CVEARBPZSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1 ZINC001034526557 710179076 /nfs/dbraw/zinc/17/90/76/710179076.db2.gz ZGXYMEDMKMRXJJ-CVEARBPZSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)nc1 ZINC001034526557 710179077 /nfs/dbraw/zinc/17/90/77/710179077.db2.gz ZGXYMEDMKMRXJJ-CVEARBPZSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)nc1 ZINC001034526557 710179078 /nfs/dbraw/zinc/17/90/78/710179078.db2.gz ZGXYMEDMKMRXJJ-CVEARBPZSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)oc1C ZINC001034527005 710179535 /nfs/dbraw/zinc/17/95/35/710179535.db2.gz CAYBPLRQEUTHFQ-MRXNPFEDSA-N 2 2 334.464 1.858 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)oc1C ZINC001034527005 710179537 /nfs/dbraw/zinc/17/95/37/710179537.db2.gz CAYBPLRQEUTHFQ-MRXNPFEDSA-N 2 2 334.464 1.858 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC001034529487 710184676 /nfs/dbraw/zinc/18/46/76/710184676.db2.gz IADXXSBLTVGLCI-GOEBONIOSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC001034529487 710184678 /nfs/dbraw/zinc/18/46/78/710184678.db2.gz IADXXSBLTVGLCI-GOEBONIOSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC001003319465 710247940 /nfs/dbraw/zinc/24/79/40/710247940.db2.gz SRANGQDBGMZXJY-UHFFFAOYSA-N 2 2 331.420 1.577 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC001003623482 710452917 /nfs/dbraw/zinc/45/29/17/710452917.db2.gz GHDULUKSQGERIB-CQSZACIVSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001003623482 710452919 /nfs/dbraw/zinc/45/29/19/710452919.db2.gz GHDULUKSQGERIB-CQSZACIVSA-N 2 2 334.464 1.802 20 0 EDADLP CO[C@H](C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1)C1CCCC1 ZINC001003704993 710503232 /nfs/dbraw/zinc/50/32/32/710503232.db2.gz GEUGGEIAVMEILB-QGZVFWFLSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005591287 710648144 /nfs/dbraw/zinc/64/81/44/710648144.db2.gz HPMKANPVLSVPRL-NVXWUHKLSA-N 2 2 345.491 1.945 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005591287 710648148 /nfs/dbraw/zinc/64/81/48/710648148.db2.gz HPMKANPVLSVPRL-NVXWUHKLSA-N 2 2 345.491 1.945 20 0 EDADLP Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(C2CCCC2)n1 ZINC000922288686 710676223 /nfs/dbraw/zinc/67/62/23/710676223.db2.gz WZCBQWLRXIQABC-INIZCTEOSA-N 2 2 333.480 1.507 20 0 EDADLP Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(C2CCCC2)n1 ZINC000922288686 710676227 /nfs/dbraw/zinc/67/62/27/710676227.db2.gz WZCBQWLRXIQABC-INIZCTEOSA-N 2 2 333.480 1.507 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744540 710960135 /nfs/dbraw/zinc/96/01/35/710960135.db2.gz VXNJCMLDGGGAQM-SHTZXODSSA-N 2 2 330.436 1.211 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032966969 711025854 /nfs/dbraw/zinc/02/58/54/711025854.db2.gz GWZSAGTZZYKRHF-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032966969 711025858 /nfs/dbraw/zinc/02/58/58/711025858.db2.gz GWZSAGTZZYKRHF-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032966969 711025861 /nfs/dbraw/zinc/02/58/61/711025861.db2.gz GWZSAGTZZYKRHF-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032966969 711025864 /nfs/dbraw/zinc/02/58/64/711025864.db2.gz GWZSAGTZZYKRHF-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC001034776371 711052657 /nfs/dbraw/zinc/05/26/57/711052657.db2.gz QJSAYFDQPRBQSE-HDJSIYSDSA-N 2 2 347.488 1.945 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)[nH]1 ZINC001034777316 711055833 /nfs/dbraw/zinc/05/58/33/711055833.db2.gz HTMNTENPKPPRDE-UBHSHLNASA-N 2 2 345.451 1.167 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003966452 711104022 /nfs/dbraw/zinc/10/40/22/711104022.db2.gz BYTSUEFIDXJZIW-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2ncccn2)cc1 ZINC001034811811 711176673 /nfs/dbraw/zinc/17/66/73/711176673.db2.gz XQDGGCCRHOHKFB-QGZVFWFLSA-N 2 2 339.443 1.477 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2ncccn2)cc1 ZINC001034811811 711176678 /nfs/dbraw/zinc/17/66/78/711176678.db2.gz XQDGGCCRHOHKFB-QGZVFWFLSA-N 2 2 339.443 1.477 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001004051784 711338593 /nfs/dbraw/zinc/33/85/93/711338593.db2.gz CPHPLNLITKCYAG-GOSISDBHSA-N 2 2 342.443 1.575 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001004056524 711358055 /nfs/dbraw/zinc/35/80/55/711358055.db2.gz PPVHIHJKKHXRKZ-OAHLLOKOSA-N 2 2 334.464 1.656 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1)[NH+](C)C ZINC001034971660 711451496 /nfs/dbraw/zinc/45/14/96/711451496.db2.gz SPALFCRKFTWZHT-ZIAGYGMSSA-N 2 2 334.468 1.103 20 0 EDADLP COc1ccnc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)c1 ZINC001004150768 711566623 /nfs/dbraw/zinc/56/66/23/711566623.db2.gz CYWDAJWVOHMORT-UHFFFAOYSA-N 2 2 343.431 1.376 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617292 711869453 /nfs/dbraw/zinc/86/94/53/711869453.db2.gz AOXCBYKPDVOAQD-HRCADAONSA-N 2 2 334.464 1.548 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617292 711869454 /nfs/dbraw/zinc/86/94/54/711869454.db2.gz AOXCBYKPDVOAQD-HRCADAONSA-N 2 2 334.464 1.548 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617292 711869456 /nfs/dbraw/zinc/86/94/56/711869456.db2.gz AOXCBYKPDVOAQD-HRCADAONSA-N 2 2 334.464 1.548 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617292 711869457 /nfs/dbraw/zinc/86/94/57/711869457.db2.gz AOXCBYKPDVOAQD-HRCADAONSA-N 2 2 334.464 1.548 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033127241 711877548 /nfs/dbraw/zinc/87/75/48/711877548.db2.gz SLOLVVNSOZLATC-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033127241 711877551 /nfs/dbraw/zinc/87/75/51/711877551.db2.gz SLOLVVNSOZLATC-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033127241 711877554 /nfs/dbraw/zinc/87/75/54/711877554.db2.gz SLOLVVNSOZLATC-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033127241 711877559 /nfs/dbraw/zinc/87/75/59/711877559.db2.gz SLOLVVNSOZLATC-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033153644 712177078 /nfs/dbraw/zinc/17/70/78/712177078.db2.gz WLEKHYYUTUAUJK-HZPDHXFCSA-N 2 2 342.447 1.227 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033153644 712177081 /nfs/dbraw/zinc/17/70/81/712177081.db2.gz WLEKHYYUTUAUJK-HZPDHXFCSA-N 2 2 342.447 1.227 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000052521934 214130857 /nfs/dbraw/zinc/13/08/57/214130857.db2.gz WWMLWSUGGXGEBV-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000052521934 214130860 /nfs/dbraw/zinc/13/08/60/214130860.db2.gz WWMLWSUGGXGEBV-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP Cc1ncc(/C=C/C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000369279510 282141151 /nfs/dbraw/zinc/14/11/51/282141151.db2.gz XNDYDXZTTQUQRC-XGACYXMMSA-N 2 2 334.489 1.749 20 0 EDADLP Cc1ncc(/C=C/C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000369279510 282141159 /nfs/dbraw/zinc/14/11/59/282141159.db2.gz XNDYDXZTTQUQRC-XGACYXMMSA-N 2 2 334.489 1.749 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343971535 282210405 /nfs/dbraw/zinc/21/04/05/282210405.db2.gz FRTPZNZJSMPOHS-RYRKJORJSA-N 2 2 338.540 1.638 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343971535 282210407 /nfs/dbraw/zinc/21/04/07/282210407.db2.gz FRTPZNZJSMPOHS-RYRKJORJSA-N 2 2 338.540 1.638 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)nc[nH+]1 ZINC000329264900 539423864 /nfs/dbraw/zinc/42/38/64/539423864.db2.gz FPWKOWWAESVENZ-HOTGVXAUSA-N 2 2 331.464 1.502 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079458193 539472496 /nfs/dbraw/zinc/47/24/96/539472496.db2.gz GSEZVBAUBWLXMU-AWEZNQCLSA-N 2 2 331.464 1.545 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079458193 539472500 /nfs/dbraw/zinc/47/25/00/539472500.db2.gz GSEZVBAUBWLXMU-AWEZNQCLSA-N 2 2 331.464 1.545 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000343018626 539777655 /nfs/dbraw/zinc/77/76/55/539777655.db2.gz WUGHKQHYBHPPQB-UONOGXRCSA-N 2 2 335.452 1.310 20 0 EDADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H](C)C1 ZINC000561760780 306290835 /nfs/dbraw/zinc/29/08/35/306290835.db2.gz CCPPGABTSNPKHM-LZWOXQAQSA-N 2 2 340.431 1.465 20 0 EDADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H](C)C1 ZINC000561760780 306290836 /nfs/dbraw/zinc/29/08/36/306290836.db2.gz CCPPGABTSNPKHM-LZWOXQAQSA-N 2 2 340.431 1.465 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000561797572 306291300 /nfs/dbraw/zinc/29/13/00/306291300.db2.gz ZJPJTKGCTZITCK-OAHLLOKOSA-N 2 2 348.495 1.196 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000561797572 306291301 /nfs/dbraw/zinc/29/13/01/306291301.db2.gz ZJPJTKGCTZITCK-OAHLLOKOSA-N 2 2 348.495 1.196 20 0 EDADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H](OC)C[NH+]1C)CCC(F)(F)F ZINC000346672965 539857522 /nfs/dbraw/zinc/85/75/22/539857522.db2.gz RLOLTCQESOHQGU-RYUDHWBXSA-N 2 2 325.375 1.096 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H](OC)C[NH+]1C)CCC(F)(F)F ZINC000346672965 539857529 /nfs/dbraw/zinc/85/75/29/539857529.db2.gz RLOLTCQESOHQGU-RYUDHWBXSA-N 2 2 325.375 1.096 20 0 EDADLP CC[NH+](CCNC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C)CCC(F)(F)F ZINC000346672965 539857535 /nfs/dbraw/zinc/85/75/35/539857535.db2.gz RLOLTCQESOHQGU-RYUDHWBXSA-N 2 2 325.375 1.096 20 0 EDADLP CC[NH+](CCNC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)CCC(F)(F)F ZINC000346672965 539857541 /nfs/dbraw/zinc/85/75/41/539857541.db2.gz RLOLTCQESOHQGU-RYUDHWBXSA-N 2 2 325.375 1.096 20 0 EDADLP Cc1nc(CC[NH+](C)[C@@H](C)CC[N@H+](C)CCc2noc(C)n2)no1 ZINC000269316794 540041079 /nfs/dbraw/zinc/04/10/79/540041079.db2.gz KOQZJJRZOAXYLK-LBPRGKRZSA-N 2 2 336.440 1.497 20 0 EDADLP Cc1nc(CC[NH+](C)[C@@H](C)CC[N@@H+](C)CCc2noc(C)n2)no1 ZINC000269316794 540041081 /nfs/dbraw/zinc/04/10/81/540041081.db2.gz KOQZJJRZOAXYLK-LBPRGKRZSA-N 2 2 336.440 1.497 20 0 EDADLP Cc1nc(CC[NH+](C)CC[C@H](C)[N@H+](C)CCc2noc(C)n2)no1 ZINC000269316794 540041084 /nfs/dbraw/zinc/04/10/84/540041084.db2.gz KOQZJJRZOAXYLK-LBPRGKRZSA-N 2 2 336.440 1.497 20 0 EDADLP Cc1nc(CC[NH+](C)CC[C@H](C)[N@@H+](C)CCc2noc(C)n2)no1 ZINC000269316794 540041088 /nfs/dbraw/zinc/04/10/88/540041088.db2.gz KOQZJJRZOAXYLK-LBPRGKRZSA-N 2 2 336.440 1.497 20 0 EDADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000165669662 540070297 /nfs/dbraw/zinc/07/02/97/540070297.db2.gz LRUFDMVHFBSIKH-CQSZACIVSA-N 2 2 330.436 1.445 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171100318 540092376 /nfs/dbraw/zinc/09/23/76/540092376.db2.gz XZASIUCQMAYVCP-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCC[NH+]3CCSCC3)nc[nH+]2)C1 ZINC000563305166 306326855 /nfs/dbraw/zinc/32/68/55/306326855.db2.gz HSSIREAEPLLAMO-KBPBESRZSA-N 2 2 337.493 1.144 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)[C@H](C)[NH+]1CCOCC1 ZINC000369925076 299232207 /nfs/dbraw/zinc/23/22/07/299232207.db2.gz FGVXJBNKEYLKBZ-XYJFISCASA-N 2 2 346.475 1.271 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)[C@H](C)[NH+]1CCOCC1 ZINC000369925076 299232209 /nfs/dbraw/zinc/23/22/09/299232209.db2.gz FGVXJBNKEYLKBZ-XYJFISCASA-N 2 2 346.475 1.271 20 0 EDADLP COC(=O)C[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(OC)cc(OC)c1 ZINC000420352988 291079314 /nfs/dbraw/zinc/07/93/14/291079314.db2.gz BCJWBHXGDDPIFN-CQSZACIVSA-N 2 2 336.432 1.678 20 0 EDADLP COC(=O)C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(OC)cc(OC)c1 ZINC000420352988 291079316 /nfs/dbraw/zinc/07/93/16/291079316.db2.gz BCJWBHXGDDPIFN-CQSZACIVSA-N 2 2 336.432 1.678 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ncccc12 ZINC000563483357 306335221 /nfs/dbraw/zinc/33/52/21/306335221.db2.gz UUQWGLSLUZACQI-LBPRGKRZSA-N 2 2 329.404 1.350 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ncccc12 ZINC000563483357 306335222 /nfs/dbraw/zinc/33/52/22/306335222.db2.gz UUQWGLSLUZACQI-LBPRGKRZSA-N 2 2 329.404 1.350 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028238 138197412 /nfs/dbraw/zinc/19/74/12/138197412.db2.gz QZVAFEUCTBHVOG-UHFFFAOYSA-N 2 2 337.386 1.051 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857471 138201165 /nfs/dbraw/zinc/20/11/65/138201165.db2.gz HVIHRBYDPRCGHN-IAGOWNOFSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857471 138201167 /nfs/dbraw/zinc/20/11/67/138201167.db2.gz HVIHRBYDPRCGHN-IAGOWNOFSA-N 2 2 325.497 1.581 20 0 EDADLP CC[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1)[NH+](C)C ZINC000413085610 304057609 /nfs/dbraw/zinc/05/76/09/304057609.db2.gz OOHCGHLBJJVAMO-CVEARBPZSA-N 2 2 330.432 1.975 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000079294859 138261204 /nfs/dbraw/zinc/26/12/04/138261204.db2.gz SHXJUTHSYHCEOZ-MRXNPFEDSA-N 2 2 331.464 1.788 20 0 EDADLP CCOC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000081519920 138266796 /nfs/dbraw/zinc/26/67/96/138266796.db2.gz VVZYDTRZTUGKOJ-MRXNPFEDSA-N 2 2 335.448 1.282 20 0 EDADLP CCOC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000081519920 138266797 /nfs/dbraw/zinc/26/67/97/138266797.db2.gz VVZYDTRZTUGKOJ-MRXNPFEDSA-N 2 2 335.448 1.282 20 0 EDADLP CC[N@H+](CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000101982950 138298405 /nfs/dbraw/zinc/29/84/05/138298405.db2.gz LTAOSZPGECBQEO-UHFFFAOYSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@@H+](CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000101982950 138298406 /nfs/dbraw/zinc/29/84/06/138298406.db2.gz LTAOSZPGECBQEO-UHFFFAOYSA-N 2 2 331.464 1.834 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c[nH]1 ZINC000092665798 138290126 /nfs/dbraw/zinc/29/01/26/138290126.db2.gz UDLQFVXMLPTJFH-HZPDHXFCSA-N 2 2 348.491 1.792 20 0 EDADLP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000120412879 138315626 /nfs/dbraw/zinc/31/56/26/138315626.db2.gz OMPWACLEQFPVJV-INIZCTEOSA-N 2 2 347.459 1.615 20 0 EDADLP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000120412879 138315627 /nfs/dbraw/zinc/31/56/27/138315627.db2.gz OMPWACLEQFPVJV-INIZCTEOSA-N 2 2 347.459 1.615 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)N1CCSCC1 ZINC000125131291 138332302 /nfs/dbraw/zinc/33/23/02/138332302.db2.gz SGOQYLKEHXAFHH-INIZCTEOSA-N 2 2 325.522 1.902 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)N1CCSCC1 ZINC000125131291 138332303 /nfs/dbraw/zinc/33/23/03/138332303.db2.gz SGOQYLKEHXAFHH-INIZCTEOSA-N 2 2 325.522 1.902 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cc[nH]c(=O)c2)([NH+]2CCCCC2)CC1 ZINC000131874924 138367083 /nfs/dbraw/zinc/36/70/83/138367083.db2.gz LOHIJZXXYZEQAA-UHFFFAOYSA-N 2 2 332.448 1.055 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000563799356 306347495 /nfs/dbraw/zinc/34/74/95/306347495.db2.gz VAVWHMUJJZOJMP-AWEZNQCLSA-N 2 2 348.447 1.022 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000186947714 236075076 /nfs/dbraw/zinc/07/50/76/236075076.db2.gz QEFCNMHXRZSMJB-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000186947714 236075078 /nfs/dbraw/zinc/07/50/78/236075078.db2.gz QEFCNMHXRZSMJB-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000187553700 236245756 /nfs/dbraw/zinc/24/57/56/236245756.db2.gz ZPWNSDZLIASYKE-MRXNPFEDSA-N 2 2 332.448 1.501 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000187553700 236245758 /nfs/dbraw/zinc/24/57/58/236245758.db2.gz ZPWNSDZLIASYKE-MRXNPFEDSA-N 2 2 332.448 1.501 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]2CCOCC2)cc1 ZINC000563895668 306351907 /nfs/dbraw/zinc/35/19/07/306351907.db2.gz JMVKZKDSHPQHCW-OAHLLOKOSA-N 2 2 341.402 1.469 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000564085591 306355519 /nfs/dbraw/zinc/35/55/19/306355519.db2.gz SVPAVZGXQAPDKX-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000564085591 306355520 /nfs/dbraw/zinc/35/55/20/306355520.db2.gz SVPAVZGXQAPDKX-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)C[C@]1(C)CC1(F)F ZINC000641626524 452146776 /nfs/dbraw/zinc/14/67/76/452146776.db2.gz YARMHAUPOJZMKD-STQMWFEESA-N 2 2 341.468 1.223 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)C[C@]1(C)CC1(F)F ZINC000641626524 452146768 /nfs/dbraw/zinc/14/67/68/452146768.db2.gz YARMHAUPOJZMKD-STQMWFEESA-N 2 2 341.468 1.223 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)C[C@H](C)O1 ZINC000564202578 306356609 /nfs/dbraw/zinc/35/66/09/306356609.db2.gz QNEFBOBKBCJNMP-FCEWJHQRSA-N 2 2 344.459 1.432 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)C[C@H](C)O1 ZINC000564202578 306356610 /nfs/dbraw/zinc/35/66/10/306356610.db2.gz QNEFBOBKBCJNMP-FCEWJHQRSA-N 2 2 344.459 1.432 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CNC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000564850925 306367541 /nfs/dbraw/zinc/36/75/41/306367541.db2.gz ZEKUGCTWGQLNTD-GPMSIDNRSA-N 2 2 339.524 1.453 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158846919 291248024 /nfs/dbraw/zinc/24/80/24/291248024.db2.gz SPRLJGITUGMVQL-BZUAXINKSA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158846919 291248029 /nfs/dbraw/zinc/24/80/29/291248029.db2.gz SPRLJGITUGMVQL-BZUAXINKSA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158846919 291248035 /nfs/dbraw/zinc/24/80/35/291248035.db2.gz SPRLJGITUGMVQL-BZUAXINKSA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158846919 291248037 /nfs/dbraw/zinc/24/80/37/291248037.db2.gz SPRLJGITUGMVQL-BZUAXINKSA-N 2 2 339.480 1.106 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccn(C)n1 ZINC000414110289 304100666 /nfs/dbraw/zinc/10/06/66/304100666.db2.gz IBWOEAOTWJBECL-VDZJLULYSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccn(C)n1 ZINC000414110289 304100668 /nfs/dbraw/zinc/10/06/68/304100668.db2.gz IBWOEAOTWJBECL-VDZJLULYSA-N 2 2 328.460 1.954 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)CCN2C1=O ZINC000565491702 306385092 /nfs/dbraw/zinc/38/50/92/306385092.db2.gz QNMYIUGQRGMKOL-KGLIPLIRSA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)CCN2C1=O ZINC000565491702 306385093 /nfs/dbraw/zinc/38/50/93/306385093.db2.gz QNMYIUGQRGMKOL-KGLIPLIRSA-N 2 2 346.818 1.739 20 0 EDADLP COC[C@]1(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCC[NH2+]1 ZINC000565586257 306387167 /nfs/dbraw/zinc/38/71/67/306387167.db2.gz ATEFDGCXYMKBBX-GOSISDBHSA-N 2 2 343.431 1.977 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)CCC[N@@H+]1Cc1ccccc1 ZINC000414200781 304105695 /nfs/dbraw/zinc/10/56/95/304105695.db2.gz XRKKNPBUQQTWGQ-KBAYOESNSA-N 2 2 329.448 1.282 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)CCC[N@H+]1Cc1ccccc1 ZINC000414200781 304105696 /nfs/dbraw/zinc/10/56/96/304105696.db2.gz XRKKNPBUQQTWGQ-KBAYOESNSA-N 2 2 329.448 1.282 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000414351964 304109994 /nfs/dbraw/zinc/10/99/94/304109994.db2.gz WJEMNEUWUCISBJ-ZFWWWQNUSA-N 2 2 325.478 1.682 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000414351964 304109996 /nfs/dbraw/zinc/10/99/96/304109996.db2.gz WJEMNEUWUCISBJ-ZFWWWQNUSA-N 2 2 325.478 1.682 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCc2csc(N3CCCC3)n2)n1C ZINC000414388763 304114083 /nfs/dbraw/zinc/11/40/83/304114083.db2.gz CVTIQSVFLJFOOI-UHFFFAOYSA-N 2 2 334.493 1.875 20 0 EDADLP C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H](C)[NH+]1CCOCC1 ZINC000246905970 296076096 /nfs/dbraw/zinc/07/60/96/296076096.db2.gz HWSWRCJBWCCSIN-DQIHPLBOSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H](C)[NH+]1CCOCC1 ZINC000246905970 296076098 /nfs/dbraw/zinc/07/60/98/296076098.db2.gz HWSWRCJBWCCSIN-DQIHPLBOSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc2c(c1)OCO2 ZINC000375502308 299362247 /nfs/dbraw/zinc/36/22/47/299362247.db2.gz KMPMUZQJHYYUAV-WHWRDJHUSA-N 2 2 342.399 1.819 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)Cc1ccccc1 ZINC000566800303 306429156 /nfs/dbraw/zinc/42/91/56/306429156.db2.gz WUZOZTZGNPPLCD-SJLPKXTDSA-N 2 2 326.444 1.735 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000369528530 296138775 /nfs/dbraw/zinc/13/87/75/296138775.db2.gz BJYAAJBYGCEMPO-QGZVFWFLSA-N 2 2 332.448 1.759 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000369528530 296138777 /nfs/dbraw/zinc/13/87/77/296138777.db2.gz BJYAAJBYGCEMPO-QGZVFWFLSA-N 2 2 332.448 1.759 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000073046444 203255580 /nfs/dbraw/zinc/25/55/80/203255580.db2.gz JMPKIDYOODLZPF-UHFFFAOYSA-N 2 2 331.464 1.789 20 0 EDADLP CO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000076344811 203349606 /nfs/dbraw/zinc/34/96/06/203349606.db2.gz YIMPUEFTEFMTAE-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000076344811 203349610 /nfs/dbraw/zinc/34/96/10/203349610.db2.gz YIMPUEFTEFMTAE-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3C[NH2+]CCO3)c2C)cc1 ZINC000415094321 304159036 /nfs/dbraw/zinc/15/90/36/304159036.db2.gz JTXLUIKMIVZRRD-GOSISDBHSA-N 2 2 344.459 1.635 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000415100205 304160087 /nfs/dbraw/zinc/16/00/87/304160087.db2.gz HROPLROJUWTWGI-OAHLLOKOSA-N 2 2 325.478 1.690 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N(CC(C)C)C3CC3)CC2)c1 ZINC000104720586 204115920 /nfs/dbraw/zinc/11/59/20/204115920.db2.gz ZJRZWQAVAAAJLF-UHFFFAOYSA-N 2 2 346.475 1.859 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000105087806 204133063 /nfs/dbraw/zinc/13/30/63/204133063.db2.gz XXZQTWBURISHRB-HNNXBMFYSA-N 2 2 333.480 1.810 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000105087806 204133066 /nfs/dbraw/zinc/13/30/66/204133066.db2.gz XXZQTWBURISHRB-HNNXBMFYSA-N 2 2 333.480 1.810 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000106584000 204204810 /nfs/dbraw/zinc/20/48/10/204204810.db2.gz BCYFYRILHYMZJY-INIZCTEOSA-N 2 2 348.495 1.209 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109793426 204294090 /nfs/dbraw/zinc/29/40/90/204294090.db2.gz UUNOQPJOXUTJDA-UHFFFAOYSA-N 2 2 348.472 1.971 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3ccccc3)C2)CC1 ZINC000111691036 204368245 /nfs/dbraw/zinc/36/82/45/204368245.db2.gz CECOLKJYXWIITF-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3ccccc3)C2)CC1 ZINC000111691036 204368247 /nfs/dbraw/zinc/36/82/47/204368247.db2.gz CECOLKJYXWIITF-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000236824468 139032729 /nfs/dbraw/zinc/03/27/29/139032729.db2.gz DKQSHFOMPJPQMK-INIZCTEOSA-N 2 2 335.448 1.475 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000236901452 139034524 /nfs/dbraw/zinc/03/45/24/139034524.db2.gz SKGZTWJCRGJJIT-DYVFJYSZSA-N 2 2 337.439 1.852 20 0 EDADLP CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110654483 220052649 /nfs/dbraw/zinc/05/26/49/220052649.db2.gz ZBIULMOOGOYRNR-QGZVFWFLSA-N 2 2 331.460 1.590 20 0 EDADLP CC[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110654483 220052652 /nfs/dbraw/zinc/05/26/52/220052652.db2.gz ZBIULMOOGOYRNR-QGZVFWFLSA-N 2 2 331.460 1.590 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)nc2)CC1 ZINC000156144250 205064814 /nfs/dbraw/zinc/06/48/14/205064814.db2.gz LOBNNNRSULWKRA-CQSZACIVSA-N 2 2 340.431 1.231 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000128320429 205143555 /nfs/dbraw/zinc/14/35/55/205143555.db2.gz LDRIDJOXQAORRX-UHFFFAOYSA-N 2 2 346.431 1.506 20 0 EDADLP C[C@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237443538 139051417 /nfs/dbraw/zinc/05/14/17/139051417.db2.gz JDTURTNGAZLKRK-KUHUBIRLSA-N 2 2 348.466 1.580 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CCCCCC[NH3+])c[nH+]2)CCO1 ZINC000237526766 139053199 /nfs/dbraw/zinc/05/31/99/139053199.db2.gz HROMJKVVLOAVMZ-OAHLLOKOSA-N 2 2 334.464 1.832 20 0 EDADLP C[C@]1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCCC[NH2+]1 ZINC000237524937 139053233 /nfs/dbraw/zinc/05/32/33/139053233.db2.gz VZNPXINLTHKAAP-LJQANCHMSA-N 2 2 331.460 1.742 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237606712 139055511 /nfs/dbraw/zinc/05/55/11/139055511.db2.gz RZIXIYMLZHYNQR-QGZVFWFLSA-N 2 2 328.416 1.636 20 0 EDADLP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000237756116 139059652 /nfs/dbraw/zinc/05/96/52/139059652.db2.gz DIJZMBUQPPPXDI-AWEZNQCLSA-N 2 2 337.851 1.473 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000237834745 139061666 /nfs/dbraw/zinc/06/16/66/139061666.db2.gz SAPLSQXCVYLYLD-QGZVFWFLSA-N 2 2 326.400 1.234 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000111825669 220200216 /nfs/dbraw/zinc/20/02/16/220200216.db2.gz MJZOXDYTKKBKMR-UHFFFAOYSA-N 2 2 349.479 1.126 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3C[C@H](O)C3(C)C)CC2)c1 ZINC000567624454 306457182 /nfs/dbraw/zinc/45/71/82/306457182.db2.gz PNIFQFBTKVQTKW-ROUUACIJSA-N 2 2 345.487 1.388 20 0 EDADLP O=C(CC1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000238139897 139069556 /nfs/dbraw/zinc/06/95/56/139069556.db2.gz DHYGKFJWBXVNJI-GOSISDBHSA-N 2 2 331.460 1.393 20 0 EDADLP O=C(CC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000238139897 139069557 /nfs/dbraw/zinc/06/95/57/139069557.db2.gz DHYGKFJWBXVNJI-GOSISDBHSA-N 2 2 331.460 1.393 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCOCC(F)(F)F)C[C@@H](C)O1 ZINC000567677152 306458384 /nfs/dbraw/zinc/45/83/84/306458384.db2.gz HNGZCHLYCYQDKF-JHJVBQTASA-N 2 2 328.375 1.015 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[N@@H+]1C1CC1 ZINC000245521796 139077783 /nfs/dbraw/zinc/07/77/83/139077783.db2.gz UCXWVVISXGDYNJ-QLFBSQMISA-N 2 2 329.448 1.585 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[N@H+]1C1CC1 ZINC000245521796 139077784 /nfs/dbraw/zinc/07/77/84/139077784.db2.gz UCXWVVISXGDYNJ-QLFBSQMISA-N 2 2 329.448 1.585 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000245703841 139083777 /nfs/dbraw/zinc/08/37/77/139083777.db2.gz BSCLCTNHYSSTRE-FUHWJXTLSA-N 2 2 348.491 1.979 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000245703841 139083778 /nfs/dbraw/zinc/08/37/78/139083778.db2.gz BSCLCTNHYSSTRE-FUHWJXTLSA-N 2 2 348.491 1.979 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000245703841 139083779 /nfs/dbraw/zinc/08/37/79/139083779.db2.gz BSCLCTNHYSSTRE-FUHWJXTLSA-N 2 2 348.491 1.979 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000245703841 139083780 /nfs/dbraw/zinc/08/37/80/139083780.db2.gz BSCLCTNHYSSTRE-FUHWJXTLSA-N 2 2 348.491 1.979 20 0 EDADLP C[C@H]1OCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000156064754 206052337 /nfs/dbraw/zinc/05/23/37/206052337.db2.gz YWRBXVPOOHPLLU-HZPDHXFCSA-N 2 2 332.448 1.230 20 0 EDADLP C[C@H]1OCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000156064754 206052341 /nfs/dbraw/zinc/05/23/41/206052341.db2.gz YWRBXVPOOHPLLU-HZPDHXFCSA-N 2 2 332.448 1.230 20 0 EDADLP Cc1noc(C)c1[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000156218179 206063671 /nfs/dbraw/zinc/06/36/71/206063671.db2.gz QJWDKKZGQXQIHG-ZDUSSCGKSA-N 2 2 336.480 1.879 20 0 EDADLP Cc1noc(C)c1[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000156218179 206063673 /nfs/dbraw/zinc/06/36/73/206063673.db2.gz QJWDKKZGQXQIHG-ZDUSSCGKSA-N 2 2 336.480 1.879 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000158958144 206217454 /nfs/dbraw/zinc/21/74/54/206217454.db2.gz MIVIPMPHKQCNPZ-OALUTQOASA-N 2 2 327.472 1.987 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000158958144 206217457 /nfs/dbraw/zinc/21/74/57/206217457.db2.gz MIVIPMPHKQCNPZ-OALUTQOASA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000158958144 206217460 /nfs/dbraw/zinc/21/74/60/206217460.db2.gz MIVIPMPHKQCNPZ-OALUTQOASA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000158958144 206217465 /nfs/dbraw/zinc/21/74/65/206217465.db2.gz MIVIPMPHKQCNPZ-OALUTQOASA-N 2 2 327.472 1.987 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC[NH+]1CCOCC1 ZINC000454245805 305421017 /nfs/dbraw/zinc/42/10/17/305421017.db2.gz SCOJYNZNFWBIQI-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[N@@H+]1C1CC1 ZINC000246385524 139106421 /nfs/dbraw/zinc/10/64/21/139106421.db2.gz JJXPBCCBJRADMY-SZVBFZGTSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[N@H+]1C1CC1 ZINC000246385524 139106422 /nfs/dbraw/zinc/10/64/22/139106422.db2.gz JJXPBCCBJRADMY-SZVBFZGTSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH+]1C1CC1 ZINC000246385524 139106423 /nfs/dbraw/zinc/10/64/23/139106423.db2.gz JJXPBCCBJRADMY-SZVBFZGTSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH+]1C1CC1 ZINC000246385524 139106424 /nfs/dbraw/zinc/10/64/24/139106424.db2.gz JJXPBCCBJRADMY-SZVBFZGTSA-N 2 2 343.471 1.629 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CN1CC[NH+]1CCOCC1 ZINC000246513600 139111633 /nfs/dbraw/zinc/11/16/33/139111633.db2.gz UFGKVZWRXYSATG-BZSNNMDCSA-N 2 2 335.492 1.478 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCOCC3(C)C)CC[C@@H]21 ZINC000246554233 139112602 /nfs/dbraw/zinc/11/26/02/139112602.db2.gz BDNHGISRAPFIFG-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCOCC3(C)C)CC[C@@H]21 ZINC000246554233 139112603 /nfs/dbraw/zinc/11/26/03/139112603.db2.gz BDNHGISRAPFIFG-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@H]2CN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC[C@@H]21 ZINC000246554233 139112604 /nfs/dbraw/zinc/11/26/04/139112604.db2.gz BDNHGISRAPFIFG-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@H]2CN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC[C@@H]21 ZINC000246554233 139112605 /nfs/dbraw/zinc/11/26/05/139112605.db2.gz BDNHGISRAPFIFG-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP c1nc(N2CCC[C@@H]([NH2+][C@H]3CCCOC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000246594168 139114404 /nfs/dbraw/zinc/11/44/04/139114404.db2.gz ZPEFFDAVFPSSFO-CVEARBPZSA-N 2 2 347.463 1.051 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415343273 304198464 /nfs/dbraw/zinc/19/84/64/304198464.db2.gz KZJVUUNOYYIXBQ-LLVKDONJSA-N 2 2 338.839 1.160 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000247235620 139141767 /nfs/dbraw/zinc/14/17/67/139141767.db2.gz RQLYSKPGXXASIB-KGLIPLIRSA-N 2 2 328.420 1.900 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000247235620 139141768 /nfs/dbraw/zinc/14/17/68/139141768.db2.gz RQLYSKPGXXASIB-KGLIPLIRSA-N 2 2 328.420 1.900 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCS1 ZINC000247260481 139142881 /nfs/dbraw/zinc/14/28/81/139142881.db2.gz FHGCXKIRSZIUDG-HOTGVXAUSA-N 2 2 343.537 1.287 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CCS1 ZINC000247260481 139142882 /nfs/dbraw/zinc/14/28/82/139142882.db2.gz FHGCXKIRSZIUDG-HOTGVXAUSA-N 2 2 343.537 1.287 20 0 EDADLP CC[C@H]1C[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCS1 ZINC000247260481 139142883 /nfs/dbraw/zinc/14/28/83/139142883.db2.gz FHGCXKIRSZIUDG-HOTGVXAUSA-N 2 2 343.537 1.287 20 0 EDADLP CC[C@H]1C[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCS1 ZINC000247260481 139142884 /nfs/dbraw/zinc/14/28/84/139142884.db2.gz FHGCXKIRSZIUDG-HOTGVXAUSA-N 2 2 343.537 1.287 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c2cc1C ZINC000247543069 139151853 /nfs/dbraw/zinc/15/18/53/139151853.db2.gz YPCGIEMWRVFKBW-DLBZAZTESA-N 3 2 330.476 1.898 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c2cc1C ZINC000247543069 139151854 /nfs/dbraw/zinc/15/18/54/139151854.db2.gz YPCGIEMWRVFKBW-DLBZAZTESA-N 3 2 330.476 1.898 20 0 EDADLP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000568976183 306493680 /nfs/dbraw/zinc/49/36/80/306493680.db2.gz DEZDSJVAYZPIQT-JKSUJKDBSA-N 2 2 329.448 1.301 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249591923 139196172 /nfs/dbraw/zinc/19/61/72/139196172.db2.gz VPUBHSNZXSQTOO-PXNSSMCTSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249591923 139196173 /nfs/dbraw/zinc/19/61/73/139196173.db2.gz VPUBHSNZXSQTOO-PXNSSMCTSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249591923 139196174 /nfs/dbraw/zinc/19/61/74/139196174.db2.gz VPUBHSNZXSQTOO-PXNSSMCTSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249591923 139196175 /nfs/dbraw/zinc/19/61/75/139196175.db2.gz VPUBHSNZXSQTOO-PXNSSMCTSA-N 2 2 347.503 1.812 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000261764132 139224163 /nfs/dbraw/zinc/22/41/63/139224163.db2.gz LXUWNZYCACHGDG-LJQANCHMSA-N 2 2 341.459 1.218 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000261764132 139224164 /nfs/dbraw/zinc/22/41/64/139224164.db2.gz LXUWNZYCACHGDG-LJQANCHMSA-N 2 2 341.459 1.218 20 0 EDADLP [NH3+][C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCOCC1 ZINC000261848752 139231165 /nfs/dbraw/zinc/23/11/65/139231165.db2.gz RIFZVIGMUGFHAK-KRWDZBQOSA-N 2 2 328.416 1.302 20 0 EDADLP C[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000261982687 139241768 /nfs/dbraw/zinc/24/17/68/139241768.db2.gz MGRWYMVWXOKHKL-DNVCBOLYSA-N 2 2 348.466 1.534 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000262031756 139245255 /nfs/dbraw/zinc/24/52/55/139245255.db2.gz JXTQTSYHUYXYPJ-XHSDSOJGSA-N 2 2 341.402 1.579 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000262031756 139245256 /nfs/dbraw/zinc/24/52/56/139245256.db2.gz JXTQTSYHUYXYPJ-XHSDSOJGSA-N 2 2 341.402 1.579 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415941587 251036669 /nfs/dbraw/zinc/03/66/69/251036669.db2.gz WXLXBYHENPGAPN-UHFFFAOYSA-N 2 2 336.436 1.256 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415941587 251036672 /nfs/dbraw/zinc/03/66/72/251036672.db2.gz WXLXBYHENPGAPN-UHFFFAOYSA-N 2 2 336.436 1.256 20 0 EDADLP CC[NH2+]CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416993842 251121348 /nfs/dbraw/zinc/12/13/48/251121348.db2.gz SRPIFUIGDQHWCX-ZIAGYGMSSA-N 2 2 335.452 1.104 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000416988276 251119695 /nfs/dbraw/zinc/11/96/95/251119695.db2.gz CHKKVEVVFPWSSY-IAGOWNOFSA-N 2 2 332.448 1.111 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N2CCC[C@H]2C[NH3+])[NH+]2CCOCC2)c1 ZINC000416996485 251123191 /nfs/dbraw/zinc/12/31/91/251123191.db2.gz MXPWASSSSIFPPT-ZWKOTPCHSA-N 2 2 346.475 1.501 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000417171786 251145113 /nfs/dbraw/zinc/14/51/13/251145113.db2.gz FCWPWDNEQMTWFF-SZMVWBNQSA-N 2 2 346.475 1.499 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417583227 251198186 /nfs/dbraw/zinc/19/81/86/251198186.db2.gz JWBRJFQWPULWBO-ZDUSSCGKSA-N 2 2 340.418 1.838 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417583227 251198191 /nfs/dbraw/zinc/19/81/91/251198191.db2.gz JWBRJFQWPULWBO-ZDUSSCGKSA-N 2 2 340.418 1.838 20 0 EDADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)[C@@H](C)C[NH2+]1 ZINC000415578193 304230924 /nfs/dbraw/zinc/23/09/24/304230924.db2.gz ZPVCYNKEEIVUET-STQMWFEESA-N 2 2 341.415 1.234 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000417831369 251288772 /nfs/dbraw/zinc/28/87/72/251288772.db2.gz QOTJKGFVWDDMID-UONOGXRCSA-N 2 2 340.493 1.466 20 0 EDADLP CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000417787333 251269368 /nfs/dbraw/zinc/26/93/68/251269368.db2.gz HDSGIOJMAFNMGU-INIZCTEOSA-N 2 2 331.460 1.543 20 0 EDADLP CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000417787333 251269371 /nfs/dbraw/zinc/26/93/71/251269371.db2.gz HDSGIOJMAFNMGU-INIZCTEOSA-N 2 2 331.460 1.543 20 0 EDADLP C[C@H]1C[N@@H+]([C@H](CNC(=O)NC(C)(C)C[NH3+])c2cccs2)CCO1 ZINC000417814866 251281237 /nfs/dbraw/zinc/28/12/37/251281237.db2.gz HXEPJNKEWLCZHV-QWHCGFSZSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@H]1C[N@H+]([C@H](CNC(=O)NC(C)(C)C[NH3+])c2cccs2)CCO1 ZINC000417814866 251281240 /nfs/dbraw/zinc/28/12/40/251281240.db2.gz HXEPJNKEWLCZHV-QWHCGFSZSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417944400 251317618 /nfs/dbraw/zinc/31/76/18/251317618.db2.gz CHSXLXMDIIZBHU-KMUNFCNLSA-N 2 2 326.391 1.747 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417944400 251317623 /nfs/dbraw/zinc/31/76/23/251317623.db2.gz CHSXLXMDIIZBHU-KMUNFCNLSA-N 2 2 326.391 1.747 20 0 EDADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000418129737 251337244 /nfs/dbraw/zinc/33/72/44/251337244.db2.gz VDVLHXRDWKZNBF-INIZCTEOSA-N 2 2 342.399 1.126 20 0 EDADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000418129737 251337247 /nfs/dbraw/zinc/33/72/47/251337247.db2.gz VDVLHXRDWKZNBF-INIZCTEOSA-N 2 2 342.399 1.126 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCC1([NH3+])CCC1 ZINC000418531303 251377792 /nfs/dbraw/zinc/37/77/92/251377792.db2.gz WUENEJVBDCFNEB-UHFFFAOYSA-N 2 2 327.432 1.954 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1(C)C ZINC000188193143 272955174 /nfs/dbraw/zinc/95/51/74/272955174.db2.gz NCFKQKJNHZMPMJ-BEFAXECRSA-N 2 2 348.491 1.961 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262869571 139309200 /nfs/dbraw/zinc/30/92/00/139309200.db2.gz XOWYFDHPFBDAIN-AWEZNQCLSA-N 2 2 328.420 1.199 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000422883174 252009130 /nfs/dbraw/zinc/00/91/30/252009130.db2.gz BTWLXDMBQDYKSO-KDOFPFPSSA-N 2 2 331.460 1.823 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000422883174 252009133 /nfs/dbraw/zinc/00/91/33/252009133.db2.gz BTWLXDMBQDYKSO-KDOFPFPSSA-N 2 2 331.460 1.823 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000422898110 252014955 /nfs/dbraw/zinc/01/49/55/252014955.db2.gz LDFYXGKDGZNUAY-RBUKOAKNSA-N 2 2 345.487 1.843 20 0 EDADLP COc1cc(OC)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1Cl ZINC000423481695 252055384 /nfs/dbraw/zinc/05/53/84/252055384.db2.gz QLKQNHGYTSCWHR-RYUDHWBXSA-N 2 2 327.856 1.911 20 0 EDADLP FC(F)(F)c1ccc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1 ZINC000422991079 252021656 /nfs/dbraw/zinc/02/16/56/252021656.db2.gz PEDBPDAIOWKFEB-UKRRQHHQSA-N 2 2 345.365 1.836 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423792911 252077098 /nfs/dbraw/zinc/07/70/98/252077098.db2.gz ZPRJRRDLFBPCSC-KRWDZBQOSA-N 2 2 341.415 1.142 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccccc1S(C)(=O)=O ZINC000424340887 252198550 /nfs/dbraw/zinc/19/85/50/252198550.db2.gz ZBYNUFPBANVOTN-YNEHKIRRSA-N 2 2 339.461 1.277 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000424369573 252201615 /nfs/dbraw/zinc/20/16/15/252201615.db2.gz CQWVRWGDWLZDIJ-DLBZAZTESA-N 2 2 340.489 1.903 20 0 EDADLP COCCOc1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424384791 252205094 /nfs/dbraw/zinc/20/50/94/252205094.db2.gz VPXLNUMBIVUMSZ-ZWKOTPCHSA-N 2 2 330.432 1.372 20 0 EDADLP COCCOc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424384791 252205099 /nfs/dbraw/zinc/20/50/99/252205099.db2.gz VPXLNUMBIVUMSZ-ZWKOTPCHSA-N 2 2 330.432 1.372 20 0 EDADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000263013423 139317718 /nfs/dbraw/zinc/31/77/18/139317718.db2.gz QAGVBOPEZKWBFC-GGPKGHCWSA-N 2 2 345.487 1.772 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263098523 139322205 /nfs/dbraw/zinc/32/22/05/139322205.db2.gz ZEQVWIFGCCORCX-CYBMUJFWSA-N 2 2 331.407 1.135 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000263183037 139327045 /nfs/dbraw/zinc/32/70/45/139327045.db2.gz GXPQLRMFHGROJM-YJBOKZPZSA-N 2 2 332.448 1.442 20 0 EDADLP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000263285343 139333301 /nfs/dbraw/zinc/33/33/01/139333301.db2.gz UXDYRIILIQJMKN-UMVBOHGHSA-N 2 2 345.434 1.331 20 0 EDADLP COCC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000124522347 285132478 /nfs/dbraw/zinc/13/24/78/285132478.db2.gz BNRFARWCPNJGKM-CVEARBPZSA-N 2 2 349.479 1.297 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000415704218 304259911 /nfs/dbraw/zinc/25/99/11/304259911.db2.gz GKOBFQMMZJCYKQ-CQSZACIVSA-N 2 2 340.383 1.032 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000263785267 139360192 /nfs/dbraw/zinc/36/01/92/139360192.db2.gz ZQVROPDZFTUKNV-INIZCTEOSA-N 2 2 331.460 1.681 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000263785267 139360193 /nfs/dbraw/zinc/36/01/93/139360193.db2.gz ZQVROPDZFTUKNV-INIZCTEOSA-N 2 2 331.460 1.681 20 0 EDADLP C[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[N@@H+](C2CCC2)C1 ZINC000488752071 255052888 /nfs/dbraw/zinc/05/28/88/255052888.db2.gz XEEBEITWVNUKST-OAHLLOKOSA-N 2 2 331.464 1.624 20 0 EDADLP C[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[N@H+](C2CCC2)C1 ZINC000488752071 255052890 /nfs/dbraw/zinc/05/28/90/255052890.db2.gz XEEBEITWVNUKST-OAHLLOKOSA-N 2 2 331.464 1.624 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000493894172 255225196 /nfs/dbraw/zinc/22/51/96/255225196.db2.gz LXOMBETVBTUYAX-ROUUACIJSA-N 2 2 345.487 1.913 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000493894172 255225197 /nfs/dbraw/zinc/22/51/97/255225197.db2.gz LXOMBETVBTUYAX-ROUUACIJSA-N 2 2 345.487 1.913 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000493181509 255194829 /nfs/dbraw/zinc/19/48/29/255194829.db2.gz BMKJZQKZGMYYGS-GJBLVYBDSA-N 2 2 338.249 1.564 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000493181509 255194830 /nfs/dbraw/zinc/19/48/30/255194830.db2.gz BMKJZQKZGMYYGS-GJBLVYBDSA-N 2 2 338.249 1.564 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)CCO1 ZINC000494711535 255259284 /nfs/dbraw/zinc/25/92/84/255259284.db2.gz QHLOGHFZSFWKOQ-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)CCO1 ZINC000494711535 255259285 /nfs/dbraw/zinc/25/92/85/255259285.db2.gz QHLOGHFZSFWKOQ-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000494711535 255259286 /nfs/dbraw/zinc/25/92/86/255259286.db2.gz QHLOGHFZSFWKOQ-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000494711535 255259287 /nfs/dbraw/zinc/25/92/87/255259287.db2.gz QHLOGHFZSFWKOQ-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC(C)CC2)CCO1 ZINC000494724617 255259900 /nfs/dbraw/zinc/25/99/00/255259900.db2.gz AFWYTVKDRFNFFO-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC(C)CC2)CCO1 ZINC000494724617 255259901 /nfs/dbraw/zinc/25/99/01/255259901.db2.gz AFWYTVKDRFNFFO-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP c1nc(N2CC[NH+](C[C@@H]3CCSC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000494987413 255264824 /nfs/dbraw/zinc/26/48/24/255264824.db2.gz UIHJRLZTSGQIPU-HNNXBMFYSA-N 2 2 349.504 1.188 20 0 EDADLP CC(C)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCOCC1 ZINC000117590526 221077434 /nfs/dbraw/zinc/07/74/34/221077434.db2.gz LRMCDOOACYHBQB-SFHVURJKSA-N 2 2 342.443 1.959 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000118834377 221191771 /nfs/dbraw/zinc/19/17/71/221191771.db2.gz KNIQFZBQLBERKN-LJQANCHMSA-N 2 2 348.535 1.632 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000118834377 221191774 /nfs/dbraw/zinc/19/17/74/221191774.db2.gz KNIQFZBQLBERKN-LJQANCHMSA-N 2 2 348.535 1.632 20 0 EDADLP O=C(NC1CC1)c1noc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)n1 ZINC000328638109 258025135 /nfs/dbraw/zinc/02/51/35/258025135.db2.gz OWVBIYQJKJXMTM-CYBMUJFWSA-N 2 2 330.392 1.386 20 0 EDADLP O=C(NC1CC1)c1noc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)n1 ZINC000328638109 258025136 /nfs/dbraw/zinc/02/51/36/258025136.db2.gz OWVBIYQJKJXMTM-CYBMUJFWSA-N 2 2 330.392 1.386 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000416224860 304297888 /nfs/dbraw/zinc/29/78/88/304297888.db2.gz RFJOAWYKDWSMDF-ROUUACIJSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000416224860 304297890 /nfs/dbraw/zinc/29/78/90/304297890.db2.gz RFJOAWYKDWSMDF-ROUUACIJSA-N 2 2 333.476 1.906 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369667640 155132391 /nfs/dbraw/zinc/13/23/91/155132391.db2.gz VWUWZMMDYYQGFN-HOCLYGCPSA-N 2 2 344.463 1.928 20 0 EDADLP COCC1(O)CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000270395954 140092097 /nfs/dbraw/zinc/09/20/97/140092097.db2.gz UHHSWQAMNUHQKU-MRXNPFEDSA-N 2 2 347.459 1.487 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C)[NH+](C)C ZINC000270568694 140125372 /nfs/dbraw/zinc/12/53/72/140125372.db2.gz ZRZQYBZZLQDVLL-LLVKDONJSA-N 2 2 343.431 1.456 20 0 EDADLP Cc1ccn2ncc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000271039958 140225302 /nfs/dbraw/zinc/22/53/02/140225302.db2.gz MRNGKWFWPHCVGE-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP Cc1ccn2ncc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000271039958 140225305 /nfs/dbraw/zinc/22/53/05/140225305.db2.gz MRNGKWFWPHCVGE-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000329341606 140710160 /nfs/dbraw/zinc/71/01/60/140710160.db2.gz ZSIOJUPHCJZSOS-IAGOWNOFSA-N 2 2 345.491 1.892 20 0 EDADLP COc1cc(NC(=O)CCc2[nH]cc[nH+]2)ccc1OCC[NH+](C)C ZINC000416334864 304310564 /nfs/dbraw/zinc/31/05/64/304310564.db2.gz RYEBVSWMPPIDPY-UHFFFAOYSA-N 2 2 332.404 1.930 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1[NH2+]CCc2ccccc21 ZINC000572042805 306580535 /nfs/dbraw/zinc/58/05/35/306580535.db2.gz DHVMQCRVRABMPY-CQSZACIVSA-N 2 2 338.333 1.949 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000332046852 141114746 /nfs/dbraw/zinc/11/47/46/141114746.db2.gz MNJIHDDTWOEDFR-CABCVRRESA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000332046852 141114747 /nfs/dbraw/zinc/11/47/47/141114747.db2.gz MNJIHDDTWOEDFR-CABCVRRESA-N 2 2 344.459 1.648 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)cc[nH+]1 ZINC000332075320 141118289 /nfs/dbraw/zinc/11/82/89/141118289.db2.gz YERLJGDKBVPRNK-UHFFFAOYSA-N 2 2 332.452 1.278 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000332074121 141118331 /nfs/dbraw/zinc/11/83/31/141118331.db2.gz XMGKRDGTQYMZCU-KGLIPLIRSA-N 2 2 333.436 1.618 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000332405916 141176697 /nfs/dbraw/zinc/17/66/97/141176697.db2.gz PEEPBAHFHQBEEU-LRDDRELGSA-N 2 2 329.404 1.531 20 0 EDADLP c1[nH+]c(C2CC[NH+](Cc3nnnn3C3CC3)CC2)n2c1CCCC2 ZINC000333190849 141278561 /nfs/dbraw/zinc/27/85/61/141278561.db2.gz VTNWTMMVRNFRCN-UHFFFAOYSA-N 2 2 327.436 1.920 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c2[nH+]ccn21 ZINC000333201227 141280458 /nfs/dbraw/zinc/28/04/58/141280458.db2.gz RGJGTYQESCOCCO-BFHYXJOUSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c2[nH+]ccn21 ZINC000333201227 141280459 /nfs/dbraw/zinc/28/04/59/141280459.db2.gz RGJGTYQESCOCCO-BFHYXJOUSA-N 2 2 335.452 1.376 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333468635 141322395 /nfs/dbraw/zinc/32/23/95/141322395.db2.gz ALWXNFMPAHFMJR-MRXNPFEDSA-N 2 2 348.495 1.006 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333735027 141369010 /nfs/dbraw/zinc/36/90/10/141369010.db2.gz IFOFTLDJNNSXBF-SFHVURJKSA-N 2 2 331.464 1.547 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333864746 141397113 /nfs/dbraw/zinc/39/71/13/141397113.db2.gz AQKKRLVTVFTUIB-HNNXBMFYSA-N 2 2 327.432 1.865 20 0 EDADLP C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000333871670 141398673 /nfs/dbraw/zinc/39/86/73/141398673.db2.gz PJQVCMUNAFESPF-HZPDHXFCSA-N 2 2 336.480 1.515 20 0 EDADLP C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000333871670 141398675 /nfs/dbraw/zinc/39/86/75/141398675.db2.gz PJQVCMUNAFESPF-HZPDHXFCSA-N 2 2 336.480 1.515 20 0 EDADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)COC(C)C)CC2)c1 ZINC000572356232 306586312 /nfs/dbraw/zinc/58/63/12/306586312.db2.gz BQZRVZMLWVEUDF-HXUWFJFHSA-N 2 2 349.519 1.883 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000339949173 142209651 /nfs/dbraw/zinc/20/96/51/142209651.db2.gz UZRLTIHFTSMMLG-INIZCTEOSA-N 2 2 333.480 1.639 20 0 EDADLP CN(C[C@H]1CCCCO1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340258009 142322464 /nfs/dbraw/zinc/32/24/64/142322464.db2.gz ZAOIHYPENTVCSP-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c[nH+]1 ZINC000345099755 143050255 /nfs/dbraw/zinc/05/02/55/143050255.db2.gz DZRYLIWPIBTVEG-MAUKXSAKSA-N 2 2 327.432 1.618 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]2CCOCC2)c1 ZINC000345690852 143121998 /nfs/dbraw/zinc/12/19/98/143121998.db2.gz CGKATWWMTUDZNY-GJZGRUSLSA-N 2 2 341.402 1.467 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000345698021 143122786 /nfs/dbraw/zinc/12/27/86/143122786.db2.gz BRRGDMXVKLBGKJ-AWEZNQCLSA-N 2 2 327.375 1.192 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCC[N@@H+]1C ZINC000345742507 143127773 /nfs/dbraw/zinc/12/77/73/143127773.db2.gz JBCLXNTZGWWUAR-OWCLPIDISA-N 2 2 333.480 1.867 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCC[N@H+]1C ZINC000345742507 143127774 /nfs/dbraw/zinc/12/77/74/143127774.db2.gz JBCLXNTZGWWUAR-OWCLPIDISA-N 2 2 333.480 1.867 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000345772663 143131678 /nfs/dbraw/zinc/13/16/78/143131678.db2.gz ZBMJOBIBJVTWHW-GJZGRUSLSA-N 2 2 333.480 1.886 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000345772663 143131679 /nfs/dbraw/zinc/13/16/79/143131679.db2.gz ZBMJOBIBJVTWHW-GJZGRUSLSA-N 2 2 333.480 1.886 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000345772666 143131684 /nfs/dbraw/zinc/13/16/84/143131684.db2.gz ZBMJOBIBJVTWHW-HUUCEWRRSA-N 2 2 333.480 1.886 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000345772666 143131685 /nfs/dbraw/zinc/13/16/85/143131685.db2.gz ZBMJOBIBJVTWHW-HUUCEWRRSA-N 2 2 333.480 1.886 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000345972295 143152739 /nfs/dbraw/zinc/15/27/39/143152739.db2.gz LYTIODTWCUFXMB-IRXDYDNUSA-N 2 2 336.480 1.143 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000345972295 143152740 /nfs/dbraw/zinc/15/27/40/143152740.db2.gz LYTIODTWCUFXMB-IRXDYDNUSA-N 2 2 336.480 1.143 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346876885 143254888 /nfs/dbraw/zinc/25/48/88/143254888.db2.gz FZCAWWWZILSJDD-WMZOPIPTSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346876885 143254889 /nfs/dbraw/zinc/25/48/89/143254889.db2.gz FZCAWWWZILSJDD-WMZOPIPTSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346876885 143254890 /nfs/dbraw/zinc/25/48/90/143254890.db2.gz FZCAWWWZILSJDD-WMZOPIPTSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346876885 143254891 /nfs/dbraw/zinc/25/48/91/143254891.db2.gz FZCAWWWZILSJDD-WMZOPIPTSA-N 3 2 330.480 1.940 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000347032873 143274192 /nfs/dbraw/zinc/27/41/92/143274192.db2.gz PXZQLYSLLITPRI-HOTGVXAUSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000347172338 143290924 /nfs/dbraw/zinc/29/09/24/143290924.db2.gz UZPKQAJGFLXIAK-CYBMUJFWSA-N 2 2 325.478 1.338 20 0 EDADLP C[C@H](CO)[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000347172338 143290925 /nfs/dbraw/zinc/29/09/25/143290925.db2.gz UZPKQAJGFLXIAK-CYBMUJFWSA-N 2 2 325.478 1.338 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414217 143318438 /nfs/dbraw/zinc/31/84/38/143318438.db2.gz FJQUPEMDWQLJDK-YZGWKJHDSA-N 3 2 331.504 1.943 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414217 143318439 /nfs/dbraw/zinc/31/84/39/143318439.db2.gz FJQUPEMDWQLJDK-YZGWKJHDSA-N 3 2 331.504 1.943 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414217 143318440 /nfs/dbraw/zinc/31/84/40/143318440.db2.gz FJQUPEMDWQLJDK-YZGWKJHDSA-N 3 2 331.504 1.943 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414217 143318441 /nfs/dbraw/zinc/31/84/41/143318441.db2.gz FJQUPEMDWQLJDK-YZGWKJHDSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000347486640 143327694 /nfs/dbraw/zinc/32/76/94/143327694.db2.gz SFNYRKPMSZYQLB-IKGGRYGDSA-N 2 2 346.475 1.117 20 0 EDADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000347629814 143343055 /nfs/dbraw/zinc/34/30/55/143343055.db2.gz LWOMNZYIUYIGAU-MRXNPFEDSA-N 2 2 333.476 1.864 20 0 EDADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000347629814 143343056 /nfs/dbraw/zinc/34/30/56/143343056.db2.gz LWOMNZYIUYIGAU-MRXNPFEDSA-N 2 2 333.476 1.864 20 0 EDADLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc(OC)c1O ZINC000347791060 143363604 /nfs/dbraw/zinc/36/36/04/143363604.db2.gz FVMRWUUKYNPBLF-OAHLLOKOSA-N 2 2 338.448 1.592 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)c3ccc(C)cc3)CC2)C1 ZINC000369781584 155175478 /nfs/dbraw/zinc/17/54/78/155175478.db2.gz HGCMPCRWSHPPRT-WOJBJXKFSA-N 2 2 347.503 1.367 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000369883309 155218218 /nfs/dbraw/zinc/21/82/18/155218218.db2.gz JTYMVABPNDHNPX-OAHLLOKOSA-N 2 2 333.480 1.865 20 0 EDADLP O=C(N1CCCC1)N1CCC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000573437244 306620989 /nfs/dbraw/zinc/62/09/89/306620989.db2.gz XOZZTINLQKYRKL-ULQDDVLXSA-N 2 2 336.480 1.023 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCCc2[nH+]ccn21 ZINC000353032472 149260689 /nfs/dbraw/zinc/26/06/89/149260689.db2.gz WTETZUXRNWNECI-CQSZACIVSA-N 2 2 330.457 1.997 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1CCCc2[nH+]ccn21 ZINC000353032472 149260690 /nfs/dbraw/zinc/26/06/90/149260690.db2.gz WTETZUXRNWNECI-CQSZACIVSA-N 2 2 330.457 1.997 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000353122906 149296689 /nfs/dbraw/zinc/29/66/89/149296689.db2.gz HMPPGEJTAGXMLJ-UHFFFAOYSA-N 2 2 334.464 1.693 20 0 EDADLP CO[C@H](C)C[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000353203818 149322902 /nfs/dbraw/zinc/32/29/02/149322902.db2.gz LZJOPUYZWBDBBX-MRXNPFEDSA-N 2 2 349.475 1.102 20 0 EDADLP CO[C@H](C)C[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000353203818 149322907 /nfs/dbraw/zinc/32/29/07/149322907.db2.gz LZJOPUYZWBDBBX-MRXNPFEDSA-N 2 2 349.475 1.102 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)[NH+]2CCOCC2)s1 ZINC000353226015 149331708 /nfs/dbraw/zinc/33/17/08/149331708.db2.gz CDSPMGFHJOQXBT-LSDHHAIUSA-N 2 2 339.505 1.919 20 0 EDADLP C[C@H]1CN(C(=O)c2cccnc2N(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354973526 150060525 /nfs/dbraw/zinc/06/05/25/150060525.db2.gz FNGLMIGOAQEQRY-HNNXBMFYSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@H]1CN(C(=O)c2cccnc2N(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354973526 150060527 /nfs/dbraw/zinc/06/05/27/150060527.db2.gz FNGLMIGOAQEQRY-HNNXBMFYSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2CCCS2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355074134 150104619 /nfs/dbraw/zinc/10/46/19/150104619.db2.gz BMKNDNXYQRSPPW-GDBMZVCRSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2CCCS2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355074134 150104623 /nfs/dbraw/zinc/10/46/23/150104623.db2.gz BMKNDNXYQRSPPW-GDBMZVCRSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@@H](O)C[C@H](C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000355218438 150169514 /nfs/dbraw/zinc/16/95/14/150169514.db2.gz ACYDLJHJQIELOA-LSDHHAIUSA-N 2 2 340.512 1.251 20 0 EDADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000355341211 150223716 /nfs/dbraw/zinc/22/37/16/150223716.db2.gz VZLPRKFCFGCZKK-HOTGVXAUSA-N 2 2 328.416 1.198 20 0 EDADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000355341211 150223722 /nfs/dbraw/zinc/22/37/22/150223722.db2.gz VZLPRKFCFGCZKK-HOTGVXAUSA-N 2 2 328.416 1.198 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000355400110 150253964 /nfs/dbraw/zinc/25/39/64/150253964.db2.gz REGWMVWWZSLZBN-LLVKDONJSA-N 2 2 333.358 1.681 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000355400110 150253966 /nfs/dbraw/zinc/25/39/66/150253966.db2.gz REGWMVWWZSLZBN-LLVKDONJSA-N 2 2 333.358 1.681 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417032588 304363125 /nfs/dbraw/zinc/36/31/25/304363125.db2.gz HLGGZIACIZYZPQ-DOTOQJQBSA-N 2 2 334.464 1.487 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C1 ZINC000357613361 151085726 /nfs/dbraw/zinc/08/57/26/151085726.db2.gz FDLYEUQHMJLOIY-HNNXBMFYSA-N 2 2 349.479 1.065 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C1 ZINC000357613361 151085728 /nfs/dbraw/zinc/08/57/28/151085728.db2.gz FDLYEUQHMJLOIY-HNNXBMFYSA-N 2 2 349.479 1.065 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357640156 151096562 /nfs/dbraw/zinc/09/65/62/151096562.db2.gz YIFIMMJRYBSUOL-DLBZAZTESA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357640156 151096564 /nfs/dbraw/zinc/09/65/64/151096564.db2.gz YIFIMMJRYBSUOL-DLBZAZTESA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645261 151098654 /nfs/dbraw/zinc/09/86/54/151098654.db2.gz JIITXVBJSQHRRA-BFYDXBDKSA-N 2 2 325.497 1.458 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645261 151098655 /nfs/dbraw/zinc/09/86/55/151098655.db2.gz JIITXVBJSQHRRA-BFYDXBDKSA-N 2 2 325.497 1.458 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000357651016 151101918 /nfs/dbraw/zinc/10/19/18/151101918.db2.gz MCSVWWVGQKEMSZ-HNNXBMFYSA-N 2 2 349.479 1.446 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000357651016 151101919 /nfs/dbraw/zinc/10/19/19/151101919.db2.gz MCSVWWVGQKEMSZ-HNNXBMFYSA-N 2 2 349.479 1.446 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721802 151125924 /nfs/dbraw/zinc/12/59/24/151125924.db2.gz OAPZKDPGVHWPHO-INIZCTEOSA-N 2 2 333.476 1.122 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721802 151125928 /nfs/dbraw/zinc/12/59/28/151125928.db2.gz OAPZKDPGVHWPHO-INIZCTEOSA-N 2 2 333.476 1.122 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000357778054 151149166 /nfs/dbraw/zinc/14/91/66/151149166.db2.gz GRDMXWLBPPBIKB-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000357778054 151149167 /nfs/dbraw/zinc/14/91/67/151149167.db2.gz GRDMXWLBPPBIKB-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000357778054 151149168 /nfs/dbraw/zinc/14/91/68/151149168.db2.gz GRDMXWLBPPBIKB-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000357778054 151149169 /nfs/dbraw/zinc/14/91/69/151149169.db2.gz GRDMXWLBPPBIKB-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417073459 304369884 /nfs/dbraw/zinc/36/98/84/304369884.db2.gz MGJLEGZXURDWLJ-YOEHRIQHSA-N 2 2 327.432 1.729 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417073450 304369902 /nfs/dbraw/zinc/36/99/02/304369902.db2.gz MGJLEGZXURDWLJ-PBHICJAKSA-N 2 2 327.432 1.729 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417073453 304370018 /nfs/dbraw/zinc/37/00/18/304370018.db2.gz MGJLEGZXURDWLJ-RHSMWYFYSA-N 2 2 327.432 1.729 20 0 EDADLP Cc1cnc(C[N@@H+](C)C[C@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)o1 ZINC000357963210 151213210 /nfs/dbraw/zinc/21/32/10/151213210.db2.gz HTLJLWYSFYPJDC-UONOGXRCSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1cnc(C[N@H+](C)C[C@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)o1 ZINC000357963210 151213214 /nfs/dbraw/zinc/21/32/14/151213214.db2.gz HTLJLWYSFYPJDC-UONOGXRCSA-N 2 2 348.426 1.888 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000358028807 151239572 /nfs/dbraw/zinc/23/95/72/151239572.db2.gz YSRYDHNTFWGXSH-UHFFFAOYSA-N 2 2 330.432 1.266 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000358028807 151239574 /nfs/dbraw/zinc/23/95/74/151239574.db2.gz YSRYDHNTFWGXSH-UHFFFAOYSA-N 2 2 330.432 1.266 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCN1c2ccccc2OCC1=O ZINC000358204593 151304394 /nfs/dbraw/zinc/30/43/94/151304394.db2.gz PPCZXUMDGFDQBP-HOCLYGCPSA-N 2 2 329.444 1.874 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCN1c2ccccc2OCC1=O ZINC000358204593 151304396 /nfs/dbraw/zinc/30/43/96/151304396.db2.gz PPCZXUMDGFDQBP-HOCLYGCPSA-N 2 2 329.444 1.874 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000360417135 152030807 /nfs/dbraw/zinc/03/08/07/152030807.db2.gz QQDZQLBBLWGTJK-SUNYJGFJSA-N 2 2 331.460 1.945 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000360417135 152030811 /nfs/dbraw/zinc/03/08/11/152030811.db2.gz QQDZQLBBLWGTJK-SUNYJGFJSA-N 2 2 331.460 1.945 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360543371 152087947 /nfs/dbraw/zinc/08/79/47/152087947.db2.gz HGXLGLXNVJQKNA-QGZVFWFLSA-N 2 2 338.473 1.544 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360543371 152087950 /nfs/dbraw/zinc/08/79/50/152087950.db2.gz HGXLGLXNVJQKNA-QGZVFWFLSA-N 2 2 338.473 1.544 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000360561077 152095863 /nfs/dbraw/zinc/09/58/63/152095863.db2.gz HZWPJGRFXJWDEX-SFHVURJKSA-N 2 2 330.432 1.637 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000360561077 152095865 /nfs/dbraw/zinc/09/58/65/152095865.db2.gz HZWPJGRFXJWDEX-SFHVURJKSA-N 2 2 330.432 1.637 20 0 EDADLP C[C@H]1CCCC[C@H]1OCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360893641 152243412 /nfs/dbraw/zinc/24/34/12/152243412.db2.gz FWTZWYIGLGUPQH-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCS3)C2)CC1 ZINC000360912329 152249106 /nfs/dbraw/zinc/24/91/06/152249106.db2.gz KHQSKTOXBFUUQS-UKRRQHHQSA-N 2 2 326.510 1.350 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCS3)C2)CC1 ZINC000360912329 152249107 /nfs/dbraw/zinc/24/91/07/152249107.db2.gz KHQSKTOXBFUUQS-UKRRQHHQSA-N 2 2 326.510 1.350 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000360966404 152265342 /nfs/dbraw/zinc/26/53/42/152265342.db2.gz NVCYZCGJLHBSCT-FUHWJXTLSA-N 2 2 340.464 1.332 20 0 EDADLP Cn1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C(F)F)n1 ZINC000360984948 152271300 /nfs/dbraw/zinc/27/13/00/152271300.db2.gz SRUORPMTSHTGQH-GFCCVEGCSA-N 2 2 328.407 1.948 20 0 EDADLP CN(C)c1nc(N(C)C[C@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)cc[nH+]1 ZINC000361001951 152275505 /nfs/dbraw/zinc/27/55/05/152275505.db2.gz KLUUUKOHUPYQJU-DZGCQCFKSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N(C)C[C@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)cc[nH+]1 ZINC000361001951 152275508 /nfs/dbraw/zinc/27/55/08/152275508.db2.gz KLUUUKOHUPYQJU-DZGCQCFKSA-N 2 2 347.442 1.325 20 0 EDADLP COCc1ccc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)o1 ZINC000361045460 152288094 /nfs/dbraw/zinc/28/80/94/152288094.db2.gz XFJMTCKZYHEOSS-HNNXBMFYSA-N 2 2 332.404 1.440 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)CC[N@@H+]1C ZINC000361115876 152309140 /nfs/dbraw/zinc/30/91/40/152309140.db2.gz YSKWOJMKXFQLHW-RHSMWYFYSA-N 2 2 345.491 1.356 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)CC[N@H+]1C ZINC000361115876 152309142 /nfs/dbraw/zinc/30/91/42/152309142.db2.gz YSKWOJMKXFQLHW-RHSMWYFYSA-N 2 2 345.491 1.356 20 0 EDADLP C[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@H]2CCC[C@H]21 ZINC000361177792 152326760 /nfs/dbraw/zinc/32/67/60/152326760.db2.gz JZXXQQHYSOOZOX-CEXWTWQISA-N 2 2 342.487 1.903 20 0 EDADLP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@H]2CCC[C@H]21 ZINC000361177792 152326762 /nfs/dbraw/zinc/32/67/62/152326762.db2.gz JZXXQQHYSOOZOX-CEXWTWQISA-N 2 2 342.487 1.903 20 0 EDADLP C[NH+]1CC[C@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)[C@H]2CCC[C@H]21 ZINC000361177792 152326764 /nfs/dbraw/zinc/32/67/64/152326764.db2.gz JZXXQQHYSOOZOX-CEXWTWQISA-N 2 2 342.487 1.903 20 0 EDADLP C[NH+]1CC[C@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)[C@H]2CCC[C@H]21 ZINC000361177792 152326765 /nfs/dbraw/zinc/32/67/65/152326765.db2.gz JZXXQQHYSOOZOX-CEXWTWQISA-N 2 2 342.487 1.903 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000370141634 155347148 /nfs/dbraw/zinc/34/71/48/155347148.db2.gz UONFZFGVJVWEPP-GOSISDBHSA-N 2 2 345.447 1.199 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000363707383 153035324 /nfs/dbraw/zinc/03/53/24/153035324.db2.gz QIVCYQIRILQUKE-BMFZPTHFSA-N 2 2 333.480 1.672 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000363707383 153035326 /nfs/dbraw/zinc/03/53/26/153035326.db2.gz QIVCYQIRILQUKE-BMFZPTHFSA-N 2 2 333.480 1.672 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ncccn1 ZINC000363708465 153035530 /nfs/dbraw/zinc/03/55/30/153035530.db2.gz SUEYGCZZJQITGS-YHUYYLMFSA-N 2 2 347.463 1.283 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ncccn1 ZINC000363708465 153035532 /nfs/dbraw/zinc/03/55/32/153035532.db2.gz SUEYGCZZJQITGS-YHUYYLMFSA-N 2 2 347.463 1.283 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363957661 153108047 /nfs/dbraw/zinc/10/80/47/153108047.db2.gz CUIIOWXLWKDIQL-YOEHRIQHSA-N 2 2 343.475 1.832 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363957661 153108049 /nfs/dbraw/zinc/10/80/49/153108049.db2.gz CUIIOWXLWKDIQL-YOEHRIQHSA-N 2 2 343.475 1.832 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000363984342 153114982 /nfs/dbraw/zinc/11/49/82/153114982.db2.gz GNFLCDBJWCLYQX-OAHLLOKOSA-N 2 2 342.447 1.914 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4nccn4c3)C2)CC1 ZINC000364210164 153173895 /nfs/dbraw/zinc/17/38/95/153173895.db2.gz YTAIXIAAOZBKNA-HNNXBMFYSA-N 2 2 327.432 1.233 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4nccn4c3)C2)CC1 ZINC000364210164 153173899 /nfs/dbraw/zinc/17/38/99/153173899.db2.gz YTAIXIAAOZBKNA-HNNXBMFYSA-N 2 2 327.432 1.233 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000364247755 153186357 /nfs/dbraw/zinc/18/63/57/153186357.db2.gz JHSUUTZOWIRURI-INMHGKMJSA-N 2 2 346.475 1.844 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000364392204 153225101 /nfs/dbraw/zinc/22/51/01/153225101.db2.gz YLNMPKTYMZKWHU-MRXNPFEDSA-N 2 2 342.443 1.702 20 0 EDADLP Cc1cc(N2CCC(N(C)C(=O)c3coc(C[NH3+])c3)CC2)nc(C)[nH+]1 ZINC000364560800 153271037 /nfs/dbraw/zinc/27/10/37/153271037.db2.gz MHPUQWBARGSXQY-UHFFFAOYSA-N 2 2 343.431 1.886 20 0 EDADLP CCCCC[C@H](C)NC(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364566513 153274225 /nfs/dbraw/zinc/27/42/25/153274225.db2.gz XBFNFEZLGSLKSA-ZWKOTPCHSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCC[C@H](C)NC(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364566513 153274228 /nfs/dbraw/zinc/27/42/28/153274228.db2.gz XBFNFEZLGSLKSA-ZWKOTPCHSA-N 2 2 338.540 1.783 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)CSC)[C@@H]1c1cnn(C)c1 ZINC000364704141 153308940 /nfs/dbraw/zinc/30/89/40/153308940.db2.gz IIAGJSKRRMFQTE-BHYGNILZSA-N 2 2 340.537 1.849 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](O)CSC)[C@@H]1c1cnn(C)c1 ZINC000364704141 153308941 /nfs/dbraw/zinc/30/89/41/153308941.db2.gz IIAGJSKRRMFQTE-BHYGNILZSA-N 2 2 340.537 1.849 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](O)CSC)[C@@H]1c1cnn(C)c1 ZINC000364704141 153308947 /nfs/dbraw/zinc/30/89/47/153308947.db2.gz IIAGJSKRRMFQTE-BHYGNILZSA-N 2 2 340.537 1.849 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](O)CSC)[C@@H]1c1cnn(C)c1 ZINC000364704141 153308951 /nfs/dbraw/zinc/30/89/51/153308951.db2.gz IIAGJSKRRMFQTE-BHYGNILZSA-N 2 2 340.537 1.849 20 0 EDADLP Cc1cccn2cc(CNC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)[nH+]c12 ZINC000364726643 153314843 /nfs/dbraw/zinc/31/48/43/153314843.db2.gz ZMFYUUHNRKJDCW-ZRGWGRIASA-N 2 2 342.443 1.791 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@]4(CCCCO4)C3)cn2)CC1 ZINC000364803012 153338853 /nfs/dbraw/zinc/33/88/53/153338853.db2.gz AOTIUJBIBOQVTG-LJQANCHMSA-N 2 2 345.491 1.764 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@]4(CCCCO4)C3)cn2)CC1 ZINC000364803012 153338855 /nfs/dbraw/zinc/33/88/55/153338855.db2.gz AOTIUJBIBOQVTG-LJQANCHMSA-N 2 2 345.491 1.764 20 0 EDADLP C[C@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)n1cc[nH+]c1 ZINC000574280304 306646898 /nfs/dbraw/zinc/64/68/98/306646898.db2.gz CWLUDMAALNNRSZ-CQSZACIVSA-N 2 2 329.404 1.382 20 0 EDADLP Cc1cccc(NC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000367305115 154072026 /nfs/dbraw/zinc/07/20/26/154072026.db2.gz KFNUMFOSKJNMLW-UHFFFAOYSA-N 3 2 345.491 1.430 20 0 EDADLP COC(=O)c1cncnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000367331457 154079069 /nfs/dbraw/zinc/07/90/69/154079069.db2.gz GEECHNDHQSRWMS-YIONKMFJSA-N 2 2 345.447 1.010 20 0 EDADLP COC(=O)c1cncnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000367331457 154079074 /nfs/dbraw/zinc/07/90/74/154079074.db2.gz GEECHNDHQSRWMS-YIONKMFJSA-N 2 2 345.447 1.010 20 0 EDADLP COc1ncccc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367440366 154122191 /nfs/dbraw/zinc/12/21/91/154122191.db2.gz CZFDNERBDQJMSR-AWEZNQCLSA-N 2 2 347.463 1.722 20 0 EDADLP COc1ncccc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367440366 154122195 /nfs/dbraw/zinc/12/21/95/154122195.db2.gz CZFDNERBDQJMSR-AWEZNQCLSA-N 2 2 347.463 1.722 20 0 EDADLP CC[C@H](CSC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367615576 154200702 /nfs/dbraw/zinc/20/07/02/154200702.db2.gz BGQZXPGELWHSPP-ZIAGYGMSSA-N 2 2 328.526 1.596 20 0 EDADLP CC[C@H](CSC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367615576 154200705 /nfs/dbraw/zinc/20/07/05/154200705.db2.gz BGQZXPGELWHSPP-ZIAGYGMSSA-N 2 2 328.526 1.596 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC1 ZINC000367703664 154236787 /nfs/dbraw/zinc/23/67/87/154236787.db2.gz GXKMZKLEXDIMFN-UHFFFAOYSA-N 2 2 333.480 1.278 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC1 ZINC000367703664 154236792 /nfs/dbraw/zinc/23/67/92/154236792.db2.gz GXKMZKLEXDIMFN-UHFFFAOYSA-N 2 2 333.480 1.278 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCN(c2ccccc2)CC1 ZINC000367983050 154352586 /nfs/dbraw/zinc/35/25/86/154352586.db2.gz MVKKYGHXAOPQMD-UHFFFAOYSA-N 2 2 330.476 1.361 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCN(c2ccccc2)CC1 ZINC000367983050 154352589 /nfs/dbraw/zinc/35/25/89/154352589.db2.gz MVKKYGHXAOPQMD-UHFFFAOYSA-N 2 2 330.476 1.361 20 0 EDADLP CCC[C@@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000367990429 154356384 /nfs/dbraw/zinc/35/63/84/154356384.db2.gz WFIZEAIMYNDYSI-LJQANCHMSA-N 2 2 349.475 1.408 20 0 EDADLP CCC[C@@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000367990429 154356386 /nfs/dbraw/zinc/35/63/86/154356386.db2.gz WFIZEAIMYNDYSI-LJQANCHMSA-N 2 2 349.475 1.408 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000368019606 154372363 /nfs/dbraw/zinc/37/23/63/154372363.db2.gz MZBDEXUMWHPKNT-QGZVFWFLSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000368019606 154372367 /nfs/dbraw/zinc/37/23/67/154372367.db2.gz MZBDEXUMWHPKNT-QGZVFWFLSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1ccncc1CCC[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000368029647 154375965 /nfs/dbraw/zinc/37/59/65/154375965.db2.gz KLMDOXOJNGHISN-IBGZPJMESA-N 2 2 332.492 1.271 20 0 EDADLP Cc1ccncc1CCC[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000368029647 154375969 /nfs/dbraw/zinc/37/59/69/154375969.db2.gz KLMDOXOJNGHISN-IBGZPJMESA-N 2 2 332.492 1.271 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369394686 155010914 /nfs/dbraw/zinc/01/09/14/155010914.db2.gz INBBDKQLJDJRAO-INIZCTEOSA-N 2 2 342.447 1.751 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369394686 155010915 /nfs/dbraw/zinc/01/09/15/155010915.db2.gz INBBDKQLJDJRAO-INIZCTEOSA-N 2 2 342.447 1.751 20 0 EDADLP CN(C(=O)Cc1ncccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369405433 155016720 /nfs/dbraw/zinc/01/67/20/155016720.db2.gz AILUUGUEUAMWOE-HNNXBMFYSA-N 2 2 334.439 1.390 20 0 EDADLP CN(C(=O)Cc1ncccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369405433 155016723 /nfs/dbraw/zinc/01/67/23/155016723.db2.gz AILUUGUEUAMWOE-HNNXBMFYSA-N 2 2 334.439 1.390 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000371630253 156038315 /nfs/dbraw/zinc/03/83/15/156038315.db2.gz XBWDCTFEEONKTL-HXUWFJFHSA-N 2 2 345.487 1.570 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3CCCOC3)CC2)CC1 ZINC000371639588 156041910 /nfs/dbraw/zinc/04/19/10/156041910.db2.gz YKYLXCDNYCITOB-FUHWJXTLSA-N 2 2 337.508 1.678 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)C(=O)C1 ZINC000371643825 156043813 /nfs/dbraw/zinc/04/38/13/156043813.db2.gz ZOSZLTRCCDGPAI-IBGZPJMESA-N 2 2 331.460 1.133 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)C(=O)C1 ZINC000371643825 156043820 /nfs/dbraw/zinc/04/38/20/156043820.db2.gz ZOSZLTRCCDGPAI-IBGZPJMESA-N 2 2 331.460 1.133 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000371814788 156118464 /nfs/dbraw/zinc/11/84/64/156118464.db2.gz NSTHHVLTQBPLSG-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000371814788 156118473 /nfs/dbraw/zinc/11/84/73/156118473.db2.gz NSTHHVLTQBPLSG-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)C1CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000371819023 156120734 /nfs/dbraw/zinc/12/07/34/156120734.db2.gz OHRGNLZPYXVTKO-QGZVFWFLSA-N 2 2 342.443 1.976 20 0 EDADLP COc1ccccc1[C@H](NC(=O)C1CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000371819022 156121543 /nfs/dbraw/zinc/12/15/43/156121543.db2.gz OHRGNLZPYXVTKO-KRWDZBQOSA-N 2 2 342.443 1.976 20 0 EDADLP COCCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371894312 156156199 /nfs/dbraw/zinc/15/61/99/156156199.db2.gz PINVJTAJTSEENP-MRXNPFEDSA-N 2 2 325.497 1.676 20 0 EDADLP COCCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371894312 156156203 /nfs/dbraw/zinc/15/62/03/156156203.db2.gz PINVJTAJTSEENP-MRXNPFEDSA-N 2 2 325.497 1.676 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000371971821 156191354 /nfs/dbraw/zinc/19/13/54/156191354.db2.gz BEXTXQHDVVSWSR-CQSZACIVSA-N 2 2 343.518 1.585 20 0 EDADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000371971821 156191357 /nfs/dbraw/zinc/19/13/57/156191357.db2.gz BEXTXQHDVVSWSR-CQSZACIVSA-N 2 2 343.518 1.585 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000372416473 156379478 /nfs/dbraw/zinc/37/94/78/156379478.db2.gz OZPUPXICFBNQOY-LPHOPBHVSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000372416473 156379479 /nfs/dbraw/zinc/37/94/79/156379479.db2.gz OZPUPXICFBNQOY-LPHOPBHVSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cc(F)ccc1C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000372416473 156379480 /nfs/dbraw/zinc/37/94/80/156379480.db2.gz OZPUPXICFBNQOY-LPHOPBHVSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cc(F)ccc1C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000372416473 156379482 /nfs/dbraw/zinc/37/94/82/156379482.db2.gz OZPUPXICFBNQOY-LPHOPBHVSA-N 2 2 335.467 1.971 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C3CC[NH+](CC(F)F)CC3)CC[C@H]21 ZINC000373917195 157063642 /nfs/dbraw/zinc/06/36/42/157063642.db2.gz VMXPSTUFWSWRQK-LSDHHAIUSA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)C3CC[NH+](CC(F)F)CC3)CC[C@H]21 ZINC000373917195 157063645 /nfs/dbraw/zinc/06/36/45/157063645.db2.gz VMXPSTUFWSWRQK-LSDHHAIUSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)C[C@@H](C)O1 ZINC000575180915 306666621 /nfs/dbraw/zinc/66/66/21/306666621.db2.gz HXXAKXFIECKFNJ-SFFUCWETSA-N 2 2 328.497 1.377 20 0 EDADLP COC(=O)C1(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCCCC1 ZINC000374197795 157189248 /nfs/dbraw/zinc/18/92/48/157189248.db2.gz FOCBSJQCSJICDI-UHFFFAOYSA-N 2 2 348.447 1.581 20 0 EDADLP C[C@H]1CN(Cc2ncc(Cl)n2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374253131 157213218 /nfs/dbraw/zinc/21/32/18/157213218.db2.gz FBZYJIBJECWCBS-ZDUSSCGKSA-N 2 2 325.888 1.674 20 0 EDADLP C[C@H]1CN(Cc2ncc(Cl)n2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374253131 157213221 /nfs/dbraw/zinc/21/32/21/157213221.db2.gz FBZYJIBJECWCBS-ZDUSSCGKSA-N 2 2 325.888 1.674 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374313892 157239128 /nfs/dbraw/zinc/23/91/28/157239128.db2.gz BKBBRNUMWSTYRW-QAPCUYQASA-N 2 2 348.535 1.249 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374313892 157239130 /nfs/dbraw/zinc/23/91/30/157239130.db2.gz BKBBRNUMWSTYRW-QAPCUYQASA-N 2 2 348.535 1.249 20 0 EDADLP COCCC[N@@H+]1CCCN(CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000374337213 157249598 /nfs/dbraw/zinc/24/95/98/157249598.db2.gz LPLCYQADBYLOOI-UHFFFAOYSA-N 2 2 340.556 1.447 20 0 EDADLP COCCC[N@H+]1CCCN(CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000374337213 157249599 /nfs/dbraw/zinc/24/95/99/157249599.db2.gz LPLCYQADBYLOOI-UHFFFAOYSA-N 2 2 340.556 1.447 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)C[N@@H+]1Cc1ccccc1 ZINC000378068066 158070927 /nfs/dbraw/zinc/07/09/27/158070927.db2.gz IUVZKNCIKIHCTK-GDBMZVCRSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)C[N@H+]1Cc1ccccc1 ZINC000378068066 158070929 /nfs/dbraw/zinc/07/09/29/158070929.db2.gz IUVZKNCIKIHCTK-GDBMZVCRSA-N 2 2 327.432 1.882 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NC1CC[NH+](Cc2cscn2)CC1 ZINC000378213828 158111941 /nfs/dbraw/zinc/11/19/41/158111941.db2.gz YGGUFQLBKRIXKN-CYBMUJFWSA-N 2 2 340.518 1.319 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378219105 158113060 /nfs/dbraw/zinc/11/30/60/158113060.db2.gz AIJCHIJAFAUOAG-INIZCTEOSA-N 2 2 325.416 1.872 20 0 EDADLP CC(C)c1nc(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)cc[nH+]1 ZINC000378228412 158116353 /nfs/dbraw/zinc/11/63/53/158116353.db2.gz KBNOHMKIEXAKBG-AWEZNQCLSA-N 2 2 338.477 1.346 20 0 EDADLP CC(C)c1nc(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)cc[nH+]1 ZINC000378228414 158116439 /nfs/dbraw/zinc/11/64/39/158116439.db2.gz KBNOHMKIEXAKBG-CQSZACIVSA-N 2 2 338.477 1.346 20 0 EDADLP CC[NH+]1CCN(CCC(=O)NCc2[nH+]c(C)n3c2CCCC3)CC1 ZINC000378303527 158133424 /nfs/dbraw/zinc/13/34/24/158133424.db2.gz AGKZGQHOIYMSDW-UHFFFAOYSA-N 2 2 333.480 1.172 20 0 EDADLP CCN1CC[NH+](CCC(=O)NCc2[nH+]c(C)n3c2CCCC3)CC1 ZINC000378303527 158133425 /nfs/dbraw/zinc/13/34/25/158133425.db2.gz AGKZGQHOIYMSDW-UHFFFAOYSA-N 2 2 333.480 1.172 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000352486611 162207376 /nfs/dbraw/zinc/20/73/76/162207376.db2.gz SZRBVYCINJAJTM-INIZCTEOSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000352486611 162207378 /nfs/dbraw/zinc/20/73/78/162207378.db2.gz SZRBVYCINJAJTM-INIZCTEOSA-N 2 2 349.479 1.036 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352489017 162208133 /nfs/dbraw/zinc/20/81/33/162208133.db2.gz WZAXTRKKAMJYQL-FUHWJXTLSA-N 2 2 330.476 1.013 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352503077 162215478 /nfs/dbraw/zinc/21/54/78/162215478.db2.gz BNHOSZRFJIAXGH-BBRMVZONSA-N 2 2 336.867 1.647 20 0 EDADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352505154 162217022 /nfs/dbraw/zinc/21/70/22/162217022.db2.gz YJQOLKSDGSWMEO-WMZOPIPTSA-N 2 2 346.475 1.392 20 0 EDADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352508583 162218897 /nfs/dbraw/zinc/21/88/97/162218897.db2.gz HVYQCWQXQLQRBM-NVXWUHKLSA-N 2 2 346.475 1.392 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363155991 162315070 /nfs/dbraw/zinc/31/50/70/162315070.db2.gz BGQNSUHXWBAGLV-CJNGLKHVSA-N 2 2 331.464 1.544 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363155991 162315073 /nfs/dbraw/zinc/31/50/73/162315073.db2.gz BGQNSUHXWBAGLV-CJNGLKHVSA-N 2 2 331.464 1.544 20 0 EDADLP c1cn2c(cccc2CNc2nc(N3CCn4cnnc4C3)cc[nH+]2)[nH+]1 ZINC000366431054 162381551 /nfs/dbraw/zinc/38/15/51/162381551.db2.gz JZRFCTQRKPGVDO-UHFFFAOYSA-N 2 2 347.386 1.348 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366432034 162382630 /nfs/dbraw/zinc/38/26/30/162382630.db2.gz RYMOZTKDHRWVPF-HZPDHXFCSA-N 2 2 348.447 1.533 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073667660 287263095 /nfs/dbraw/zinc/26/30/95/287263095.db2.gz BQKDRHNRBMMPKA-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073667660 287263096 /nfs/dbraw/zinc/26/30/96/287263096.db2.gz BQKDRHNRBMMPKA-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000074365682 287270152 /nfs/dbraw/zinc/27/01/52/287270152.db2.gz QDSMQZFFGCTVQM-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH2+]CCNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000418316956 304479017 /nfs/dbraw/zinc/47/90/17/304479017.db2.gz LPLFGPYLMSZKRG-UHFFFAOYSA-N 2 2 340.855 1.265 20 0 EDADLP COc1ccc([C@@H](NC(=O)C[C@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000163989932 226035502 /nfs/dbraw/zinc/03/55/02/226035502.db2.gz GLFLCGBJXBTIBM-RHSMWYFYSA-N 2 2 328.416 1.776 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418439153 304495865 /nfs/dbraw/zinc/49/58/65/304495865.db2.gz YBKVQOFTOBADIY-NVXWUHKLSA-N 2 2 331.464 1.426 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCCCC[NH3+] ZINC000418504923 304504670 /nfs/dbraw/zinc/50/46/70/304504670.db2.gz BPIHEWIIKGEHDM-CQSZACIVSA-N 2 2 340.493 1.502 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2CCC(F)CC2)CC1 ZINC000645393370 452365953 /nfs/dbraw/zinc/36/59/53/452365953.db2.gz SXLKMMOWNAFMPO-UHFFFAOYSA-N 2 2 328.476 1.840 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000273491067 268051920 /nfs/dbraw/zinc/05/19/20/268051920.db2.gz AJELFKVKNIUVKY-SFHVURJKSA-N 2 2 344.459 1.409 20 0 EDADLP CS[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@H]1[NH+]1CCCC1 ZINC000273508267 268054549 /nfs/dbraw/zinc/05/45/49/268054549.db2.gz NGSDJYJNAIKXKY-HZPDHXFCSA-N 2 2 344.484 1.915 20 0 EDADLP C[C@@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)C[NH+]1CCCCC1 ZINC000274322133 268124808 /nfs/dbraw/zinc/12/48/08/268124808.db2.gz CXAPVZWDPVROSC-HNNXBMFYSA-N 2 2 346.479 1.289 20 0 EDADLP C[C@@H](CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)C[NH+]1CCCCC1 ZINC000274322133 268124811 /nfs/dbraw/zinc/12/48/11/268124811.db2.gz CXAPVZWDPVROSC-HNNXBMFYSA-N 2 2 346.479 1.289 20 0 EDADLP COc1cccc2c(N3CC[NH+](C(C)(C)C(N)=O)CC3)cc[nH+]c12 ZINC000275446457 268343872 /nfs/dbraw/zinc/34/38/72/268343872.db2.gz FXIDULOYACPAEI-UHFFFAOYSA-N 2 2 328.416 1.629 20 0 EDADLP COc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1O ZINC000276021870 268392085 /nfs/dbraw/zinc/39/20/85/268392085.db2.gz SJJPQDFDNPHRHL-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP COc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1O ZINC000276021870 268392086 /nfs/dbraw/zinc/39/20/86/268392086.db2.gz SJJPQDFDNPHRHL-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP COc1cccc2c(NC[C@H](O)C[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000276123911 268399408 /nfs/dbraw/zinc/39/94/08/268399408.db2.gz YZKKGSGNCPXJML-AWEZNQCLSA-N 2 2 331.416 1.657 20 0 EDADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000273559300 273044648 /nfs/dbraw/zinc/04/46/48/273044648.db2.gz BUDUOFYWZCUIEN-CQSZACIVSA-N 2 2 332.404 1.143 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000274350473 273087139 /nfs/dbraw/zinc/08/71/39/273087139.db2.gz KKCVJXURINHIOQ-PKOBYXMFSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000274350473 273087141 /nfs/dbraw/zinc/08/71/41/273087141.db2.gz KKCVJXURINHIOQ-PKOBYXMFSA-N 3 2 331.504 1.943 20 0 EDADLP CCC[C@@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)[NH+](C)C ZINC000275649084 273115712 /nfs/dbraw/zinc/11/57/12/273115712.db2.gz OGEQNHHUGRDUGS-CABCVRRESA-N 2 2 334.464 1.858 20 0 EDADLP Cc1nc(N2CC[NH+](C[C@H](O)COCc3cccs3)CC2)cc[nH+]1 ZINC000183794989 272945042 /nfs/dbraw/zinc/94/50/42/272945042.db2.gz DDPGDOXWPFOOKV-HNNXBMFYSA-N 2 2 348.472 1.546 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279541323 273305282 /nfs/dbraw/zinc/30/52/82/273305282.db2.gz QDXJXGBOCWHRGN-MRXNPFEDSA-N 2 2 330.432 1.161 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279541323 273305284 /nfs/dbraw/zinc/30/52/84/273305284.db2.gz QDXJXGBOCWHRGN-MRXNPFEDSA-N 2 2 330.432 1.161 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000280194559 273350533 /nfs/dbraw/zinc/35/05/33/273350533.db2.gz IIQVJDYKQVNOKP-UHFFFAOYSA-N 2 2 342.443 1.840 20 0 EDADLP CN(C)[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1c[nH+]cn1C ZINC000280750704 273393847 /nfs/dbraw/zinc/39/38/47/273393847.db2.gz KMBJMZGKXLEFPY-MRXNPFEDSA-N 2 2 347.488 1.259 20 0 EDADLP CN(C)[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1c[nH+]cn1C ZINC000280750704 273393848 /nfs/dbraw/zinc/39/38/48/273393848.db2.gz KMBJMZGKXLEFPY-MRXNPFEDSA-N 2 2 347.488 1.259 20 0 EDADLP CC(C)[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000283983669 274037126 /nfs/dbraw/zinc/03/71/26/274037126.db2.gz OGFHBDCMBPBIQT-MRXNPFEDSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284215964 274120096 /nfs/dbraw/zinc/12/00/96/274120096.db2.gz ZTYUSWAONQREAM-WMZOPIPTSA-N 2 2 341.459 1.840 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284215964 274120097 /nfs/dbraw/zinc/12/00/97/274120097.db2.gz ZTYUSWAONQREAM-WMZOPIPTSA-N 2 2 341.459 1.840 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000284667518 274286147 /nfs/dbraw/zinc/28/61/47/274286147.db2.gz XBOWBUVOEWWUGF-KBAYOESNSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000284667518 274286150 /nfs/dbraw/zinc/28/61/50/274286150.db2.gz XBOWBUVOEWWUGF-KBAYOESNSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000284667518 274286153 /nfs/dbraw/zinc/28/61/53/274286153.db2.gz XBOWBUVOEWWUGF-KBAYOESNSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000284667518 274286155 /nfs/dbraw/zinc/28/61/55/274286155.db2.gz XBOWBUVOEWWUGF-KBAYOESNSA-N 2 2 331.460 1.438 20 0 EDADLP O=C1C[C@@]2(CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905351 274381043 /nfs/dbraw/zinc/38/10/43/274381043.db2.gz UZUZSPONQPTSTL-ICSRJNTNSA-N 2 2 343.471 1.490 20 0 EDADLP O=C1C[C@@]2(CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905351 274381046 /nfs/dbraw/zinc/38/10/46/274381046.db2.gz UZUZSPONQPTSTL-ICSRJNTNSA-N 2 2 343.471 1.490 20 0 EDADLP O=C1C[C@@]2(CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905351 274381048 /nfs/dbraw/zinc/38/10/48/274381048.db2.gz UZUZSPONQPTSTL-ICSRJNTNSA-N 2 2 343.471 1.490 20 0 EDADLP O=C1C[C@@]2(CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905351 274381051 /nfs/dbraw/zinc/38/10/51/274381051.db2.gz UZUZSPONQPTSTL-ICSRJNTNSA-N 2 2 343.471 1.490 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000285530427 274571759 /nfs/dbraw/zinc/57/17/59/274571759.db2.gz PSJUWPUJUGGEOH-LJQANCHMSA-N 2 2 336.476 1.779 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2COCCO2)[C@@H]1c1cnn(C)c1 ZINC000450793110 276165415 /nfs/dbraw/zinc/16/54/15/276165415.db2.gz PIWKGDOVTXKBSV-CGTJXYLNSA-N 2 2 336.480 1.540 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2COCCO2)[C@@H]1c1cnn(C)c1 ZINC000450793110 276165416 /nfs/dbraw/zinc/16/54/16/276165416.db2.gz PIWKGDOVTXKBSV-CGTJXYLNSA-N 2 2 336.480 1.540 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H]2COCCO2)[C@@H]1c1cnn(C)c1 ZINC000450793110 276165418 /nfs/dbraw/zinc/16/54/18/276165418.db2.gz PIWKGDOVTXKBSV-CGTJXYLNSA-N 2 2 336.480 1.540 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H]2COCCO2)[C@@H]1c1cnn(C)c1 ZINC000450793110 276165420 /nfs/dbraw/zinc/16/54/20/276165420.db2.gz PIWKGDOVTXKBSV-CGTJXYLNSA-N 2 2 336.480 1.540 20 0 EDADLP CCOCCNC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377764884 276325448 /nfs/dbraw/zinc/32/54/48/276325448.db2.gz RXVYHBQCHKXSKZ-RTBURBONSA-N 2 2 345.487 1.593 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377764884 276325449 /nfs/dbraw/zinc/32/54/49/276325449.db2.gz RXVYHBQCHKXSKZ-RTBURBONSA-N 2 2 345.487 1.593 20 0 EDADLP CCOCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377764884 276325450 /nfs/dbraw/zinc/32/54/50/276325450.db2.gz RXVYHBQCHKXSKZ-RTBURBONSA-N 2 2 345.487 1.593 20 0 EDADLP CCOCCNC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377764884 276325451 /nfs/dbraw/zinc/32/54/51/276325451.db2.gz RXVYHBQCHKXSKZ-RTBURBONSA-N 2 2 345.487 1.593 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](CC)CC ZINC000266863063 276541393 /nfs/dbraw/zinc/54/13/93/276541393.db2.gz VHVVAJPVUSGNTK-RTBURBONSA-N 2 2 347.503 1.985 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000347132609 277090215 /nfs/dbraw/zinc/09/02/15/277090215.db2.gz PVVBOXUIRHHSGI-UHFFFAOYSA-N 2 2 349.450 1.581 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000347132609 277090216 /nfs/dbraw/zinc/09/02/16/277090216.db2.gz PVVBOXUIRHHSGI-UHFFFAOYSA-N 2 2 349.450 1.581 20 0 EDADLP COCC1(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000376702946 277199969 /nfs/dbraw/zinc/19/99/69/277199969.db2.gz XZQSODHZCSUSHM-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP COc1nc(C)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332564747 278083255 /nfs/dbraw/zinc/08/32/55/278083255.db2.gz WPVICIRUHWUXFY-UHFFFAOYSA-N 2 2 346.475 1.687 20 0 EDADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000272720826 278204707 /nfs/dbraw/zinc/20/47/07/278204707.db2.gz FICIUOXHPJTPIF-DYVFJYSZSA-N 2 2 332.448 1.635 20 0 EDADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000272720826 278204708 /nfs/dbraw/zinc/20/47/08/278204708.db2.gz FICIUOXHPJTPIF-DYVFJYSZSA-N 2 2 332.448 1.635 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000341237255 278322319 /nfs/dbraw/zinc/32/23/19/278322319.db2.gz OUJNHDPISGITML-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000341237255 278322320 /nfs/dbraw/zinc/32/23/20/278322320.db2.gz OUJNHDPISGITML-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000343778068 278804258 /nfs/dbraw/zinc/80/42/58/278804258.db2.gz IHKYNWMYOOASIJ-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000348851300 279119296 /nfs/dbraw/zinc/11/92/96/279119296.db2.gz VJMNIVOPPCRLNU-MRXNPFEDSA-N 2 2 333.476 1.979 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247125586 279172199 /nfs/dbraw/zinc/17/21/99/279172199.db2.gz RZZTYWQGWVKYBY-ZOBUZTSGSA-N 2 2 349.479 1.475 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000245924016 279266880 /nfs/dbraw/zinc/26/68/80/279266880.db2.gz VNXGTKALPGNCLT-WBVHZDCISA-N 2 2 341.521 1.185 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000245924016 279266881 /nfs/dbraw/zinc/26/68/81/279266881.db2.gz VNXGTKALPGNCLT-WBVHZDCISA-N 2 2 341.521 1.185 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000287152889 288167936 /nfs/dbraw/zinc/16/79/36/288167936.db2.gz LZFISUQGQJIWTM-HUUCEWRRSA-N 2 2 347.463 1.105 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000287458087 288242412 /nfs/dbraw/zinc/24/24/12/288242412.db2.gz RXTSSDBURYGYDI-CRAIPNDOSA-N 2 2 331.460 1.683 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353537169 281247993 /nfs/dbraw/zinc/24/79/93/281247993.db2.gz WOJBMAQUPFPDIX-IAGOWNOFSA-N 3 2 336.524 1.441 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000363166034 281537835 /nfs/dbraw/zinc/53/78/35/281537835.db2.gz MVOQIRWCDCQUSV-GJZGRUSLSA-N 2 2 336.505 1.874 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000152204313 288640640 /nfs/dbraw/zinc/64/06/40/288640640.db2.gz LXLKEUZAZBRTTN-JKSUJKDBSA-N 2 2 349.479 1.513 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CC12CC[NH2+]CC2 ZINC000370164955 288716586 /nfs/dbraw/zinc/71/65/86/288716586.db2.gz UHRUMLQJIPAYMS-OAGGEKHMSA-N 3 2 345.491 1.501 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH+]1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 ZINC000289530498 288723062 /nfs/dbraw/zinc/72/30/62/288723062.db2.gz PWIFYSWWAGSCQC-ZWKOTPCHSA-N 2 2 331.460 1.925 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000290822645 288958996 /nfs/dbraw/zinc/95/89/96/288958996.db2.gz GARVXWWTEXVDPR-NXHRZFHOSA-N 2 2 331.460 1.611 20 0 EDADLP COCC[C@@H]1COCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000291327740 289039143 /nfs/dbraw/zinc/03/91/43/289039143.db2.gz VJFGLMNLWHGGQP-SJORKVTESA-N 2 2 347.459 1.751 20 0 EDADLP COCC[C@@H]1COCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000291327740 289039144 /nfs/dbraw/zinc/03/91/44/289039144.db2.gz VJFGLMNLWHGGQP-SJORKVTESA-N 2 2 347.459 1.751 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOCC3(CCC3)C2)CC1 ZINC000371899843 289068240 /nfs/dbraw/zinc/06/82/40/289068240.db2.gz RVEIICVRMVPUID-UHFFFAOYSA-N 2 2 338.496 1.225 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)CC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000292092731 289259014 /nfs/dbraw/zinc/25/90/14/289259014.db2.gz NMPAXIAJMXDHST-KRWDZBQOSA-N 2 2 330.476 1.905 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292105053 289262419 /nfs/dbraw/zinc/26/24/19/289262419.db2.gz IJAPHAXZWZHMMB-IBGZPJMESA-N 2 2 349.450 1.691 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292105053 289262422 /nfs/dbraw/zinc/26/24/22/289262422.db2.gz IJAPHAXZWZHMMB-IBGZPJMESA-N 2 2 349.450 1.691 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292105053 289262423 /nfs/dbraw/zinc/26/24/23/289262423.db2.gz IJAPHAXZWZHMMB-IBGZPJMESA-N 2 2 349.450 1.691 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292105053 289262425 /nfs/dbraw/zinc/26/24/25/289262425.db2.gz IJAPHAXZWZHMMB-IBGZPJMESA-N 2 2 349.450 1.691 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376799403 289346829 /nfs/dbraw/zinc/34/68/29/289346829.db2.gz QEBZLGGCWKWXQO-QAPCUYQASA-N 2 2 336.524 1.534 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376799403 289346830 /nfs/dbraw/zinc/34/68/30/289346830.db2.gz QEBZLGGCWKWXQO-QAPCUYQASA-N 2 2 336.524 1.534 20 0 EDADLP COC[C@]1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000495751378 293295842 /nfs/dbraw/zinc/29/58/42/293295842.db2.gz YSHLSJCALGZIFS-RVKKMQEKSA-N 2 2 341.496 1.942 20 0 EDADLP COC[C@]1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000495751378 293295844 /nfs/dbraw/zinc/29/58/44/293295844.db2.gz YSHLSJCALGZIFS-RVKKMQEKSA-N 2 2 341.496 1.942 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000342474139 297027226 /nfs/dbraw/zinc/02/72/26/297027226.db2.gz PBAYINPPAPAHOS-ZRSRNVLSSA-N 2 2 337.508 1.423 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000342474139 297027228 /nfs/dbraw/zinc/02/72/28/297027228.db2.gz PBAYINPPAPAHOS-ZRSRNVLSSA-N 2 2 337.508 1.423 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCN2CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000342474139 297027232 /nfs/dbraw/zinc/02/72/32/297027232.db2.gz PBAYINPPAPAHOS-ZRSRNVLSSA-N 2 2 337.508 1.423 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCN2CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000342474139 297027234 /nfs/dbraw/zinc/02/72/34/297027234.db2.gz PBAYINPPAPAHOS-ZRSRNVLSSA-N 2 2 337.508 1.423 20 0 EDADLP COCC[NH2+]CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000418512579 304506561 /nfs/dbraw/zinc/50/65/61/304506561.db2.gz TUAPCBWFJMBTNK-UHFFFAOYSA-N 2 2 349.479 1.344 20 0 EDADLP C[C@H]1C[N@@H+]([C@H](CNC(=O)NCCC[NH3+])c2cccs2)CCO1 ZINC000417809919 300293345 /nfs/dbraw/zinc/29/33/45/300293345.db2.gz BNCJGXZROXBQFQ-QWHCGFSZSA-N 2 2 326.466 1.158 20 0 EDADLP C[C@H]1C[N@H+]([C@H](CNC(=O)NCCC[NH3+])c2cccs2)CCO1 ZINC000417809919 300293348 /nfs/dbraw/zinc/29/33/48/300293348.db2.gz BNCJGXZROXBQFQ-QWHCGFSZSA-N 2 2 326.466 1.158 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420376554 304753479 /nfs/dbraw/zinc/75/34/79/304753479.db2.gz VFHSBYVURYZBIW-FRQCXROJSA-N 2 2 333.476 1.856 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000414750925 447320975 /nfs/dbraw/zinc/32/09/75/447320975.db2.gz MLEINXPSISCKRW-UHFFFAOYSA-N 2 2 341.415 1.358 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000294309823 303089715 /nfs/dbraw/zinc/08/97/15/303089715.db2.gz RLNFXYFJSJBSQD-OAHLLOKOSA-N 2 2 329.404 1.969 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C[C@H](C)[N@H+]1C ZINC000296642167 303328468 /nfs/dbraw/zinc/32/84/68/303328468.db2.gz SBYYKPRERVSYCG-GASCZTMLSA-N 2 2 347.463 1.152 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C[C@H](C)[N@@H+]1C ZINC000296642167 303328470 /nfs/dbraw/zinc/32/84/70/303328470.db2.gz SBYYKPRERVSYCG-GASCZTMLSA-N 2 2 347.463 1.152 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000297125578 303362468 /nfs/dbraw/zinc/36/24/68/303362468.db2.gz HGTBWXQULPSZBR-UHFFFAOYSA-N 2 2 341.459 1.732 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000298644435 303541458 /nfs/dbraw/zinc/54/14/58/303541458.db2.gz KDAICXHXZBQINF-UHFFFAOYSA-N 2 2 333.480 1.641 20 0 EDADLP Nc1nc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)[nH+]c2ccccc12 ZINC000301786579 303695414 /nfs/dbraw/zinc/69/54/14/303695414.db2.gz PEXHNUQQUDDPLO-AWEZNQCLSA-N 2 2 327.432 1.761 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](C)[NH+]1C ZINC000339074062 303802249 /nfs/dbraw/zinc/80/22/49/303802249.db2.gz IKCMEAMMTCFQBK-ZIAGYGMSSA-N 2 2 325.478 1.461 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCn2cc(CO)nn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423123381 304887743 /nfs/dbraw/zinc/88/77/43/304887743.db2.gz MNNJBGBUKAPFOX-ROUUACIJSA-N 2 2 345.447 1.252 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)c1 ZINC000423302830 304891932 /nfs/dbraw/zinc/89/19/32/304891932.db2.gz VZVFLYJCTAHLMQ-SFHVURJKSA-N 2 2 347.459 1.475 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)nc(C(C)C)[nH+]1 ZINC000423313914 304892288 /nfs/dbraw/zinc/89/22/88/304892288.db2.gz VEWBEVHETFMQMZ-KDOFPFPSSA-N 2 2 329.448 1.309 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423468955 304897088 /nfs/dbraw/zinc/89/70/88/304897088.db2.gz KBGKJIUEDOEFMQ-KBXCAEBGSA-N 2 2 347.463 1.154 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000424998885 304944191 /nfs/dbraw/zinc/94/41/91/304944191.db2.gz KAEVQZRPURJKOM-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000427298176 304988070 /nfs/dbraw/zinc/98/80/70/304988070.db2.gz ACQYHBYUXSCROS-FUHWJXTLSA-N 2 2 331.460 1.484 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000427941093 305001719 /nfs/dbraw/zinc/00/17/19/305001719.db2.gz YZGPXKFQUSAEOQ-ZDUSSCGKSA-N 2 2 336.436 1.062 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000427941093 305001720 /nfs/dbraw/zinc/00/17/20/305001720.db2.gz YZGPXKFQUSAEOQ-ZDUSSCGKSA-N 2 2 336.436 1.062 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428035789 305004709 /nfs/dbraw/zinc/00/47/09/305004709.db2.gz QEZFOFDTPYNWPX-OALUTQOASA-N 2 2 345.487 1.912 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428035789 305004710 /nfs/dbraw/zinc/00/47/10/305004710.db2.gz QEZFOFDTPYNWPX-OALUTQOASA-N 2 2 345.487 1.912 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000429548349 305031739 /nfs/dbraw/zinc/03/17/39/305031739.db2.gz MAKPFJFIYXTBBR-INIZCTEOSA-N 2 2 337.439 1.737 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000429548349 305031740 /nfs/dbraw/zinc/03/17/40/305031740.db2.gz MAKPFJFIYXTBBR-INIZCTEOSA-N 2 2 337.439 1.737 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000430576405 305056803 /nfs/dbraw/zinc/05/68/03/305056803.db2.gz XFERNQJCQUVIEE-MRXNPFEDSA-N 2 2 329.391 1.867 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430586276 305057239 /nfs/dbraw/zinc/05/72/39/305057239.db2.gz SKOYLIIDYIYQNO-OKZBNKHCSA-N 2 2 344.503 1.688 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430586276 305057240 /nfs/dbraw/zinc/05/72/40/305057240.db2.gz SKOYLIIDYIYQNO-OKZBNKHCSA-N 2 2 344.503 1.688 20 0 EDADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)CC1 ZINC000430596556 305057672 /nfs/dbraw/zinc/05/76/72/305057672.db2.gz JLKNHKASOAYHKL-SFHVURJKSA-N 2 2 340.512 1.055 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430598333 305057831 /nfs/dbraw/zinc/05/78/31/305057831.db2.gz CPNJINFMFRBYOF-GFCCVEGCSA-N 2 2 325.403 1.696 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430598333 305057832 /nfs/dbraw/zinc/05/78/32/305057832.db2.gz CPNJINFMFRBYOF-GFCCVEGCSA-N 2 2 325.403 1.696 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000430610703 305058819 /nfs/dbraw/zinc/05/88/19/305058819.db2.gz LKLUIPFJNLXGPT-LBPRGKRZSA-N 2 2 338.839 1.581 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000430610703 305058820 /nfs/dbraw/zinc/05/88/20/305058820.db2.gz LKLUIPFJNLXGPT-LBPRGKRZSA-N 2 2 338.839 1.581 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCOc2cccc(C)c2)C1 ZINC000430620741 305059697 /nfs/dbraw/zinc/05/96/97/305059697.db2.gz BQXMSDYBXOGDGR-IRXDYDNUSA-N 2 2 333.476 1.810 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCOc2cccc(C)c2)C1 ZINC000430620741 305059698 /nfs/dbraw/zinc/05/96/98/305059698.db2.gz BQXMSDYBXOGDGR-IRXDYDNUSA-N 2 2 333.476 1.810 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000430933751 305069026 /nfs/dbraw/zinc/06/90/26/305069026.db2.gz JLDCICPOGONYDQ-QGZVFWFLSA-N 2 2 345.487 1.392 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000430933751 305069027 /nfs/dbraw/zinc/06/90/27/305069027.db2.gz JLDCICPOGONYDQ-QGZVFWFLSA-N 2 2 345.487 1.392 20 0 EDADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430933567 305069045 /nfs/dbraw/zinc/06/90/45/305069045.db2.gz ITGDULLRCYIIIR-JTQLQIEISA-N 2 2 346.294 1.750 20 0 EDADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430933567 305069046 /nfs/dbraw/zinc/06/90/46/305069046.db2.gz ITGDULLRCYIIIR-JTQLQIEISA-N 2 2 346.294 1.750 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430934904 305069306 /nfs/dbraw/zinc/06/93/06/305069306.db2.gz RGWLGBMGWCPVOO-HOCLYGCPSA-N 2 2 347.459 1.046 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430934904 305069307 /nfs/dbraw/zinc/06/93/07/305069307.db2.gz RGWLGBMGWCPVOO-HOCLYGCPSA-N 2 2 347.459 1.046 20 0 EDADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000430955210 305070740 /nfs/dbraw/zinc/07/07/40/305070740.db2.gz YUEFPAQCPUMLPB-CQSZACIVSA-N 2 2 347.459 1.189 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430973365 305071776 /nfs/dbraw/zinc/07/17/76/305071776.db2.gz UAMQTYXOMCOJMV-YJBOKZPZSA-N 2 2 333.476 1.897 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430973365 305071777 /nfs/dbraw/zinc/07/17/77/305071777.db2.gz UAMQTYXOMCOJMV-YJBOKZPZSA-N 2 2 333.476 1.897 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])CC2)cn1 ZINC000430999192 305072423 /nfs/dbraw/zinc/07/24/23/305072423.db2.gz BGVVGOCNIWEJMM-SJORKVTESA-N 2 2 333.480 1.362 20 0 EDADLP CC1CCN(C(=O)C2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)CC1 ZINC000431068705 305074262 /nfs/dbraw/zinc/07/42/62/305074262.db2.gz CZKYJGGTAOIQIB-UHFFFAOYSA-N 2 2 349.479 1.734 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431095681 305075086 /nfs/dbraw/zinc/07/50/86/305075086.db2.gz WDLGUMRGCQICBM-OLZOCXBDSA-N 2 2 337.468 1.780 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431095681 305075087 /nfs/dbraw/zinc/07/50/87/305075087.db2.gz WDLGUMRGCQICBM-OLZOCXBDSA-N 2 2 337.468 1.780 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)N(C)C1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692828 305145569 /nfs/dbraw/zinc/14/55/69/305145569.db2.gz KLOMXNKQCBEKII-MRXNPFEDSA-N 2 2 345.491 1.468 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000435734190 305146675 /nfs/dbraw/zinc/14/66/75/305146675.db2.gz WHDVBOZUHDDCHL-BBRMVZONSA-N 2 2 343.468 1.376 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000435734190 305146676 /nfs/dbraw/zinc/14/66/76/305146676.db2.gz WHDVBOZUHDDCHL-BBRMVZONSA-N 2 2 343.468 1.376 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436053156 305151514 /nfs/dbraw/zinc/15/15/14/305151514.db2.gz DPPJSNKQYMHDRU-MRXNPFEDSA-N 2 2 346.475 1.561 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436053156 305151515 /nfs/dbraw/zinc/15/15/15/305151515.db2.gz DPPJSNKQYMHDRU-MRXNPFEDSA-N 2 2 346.475 1.561 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000443856214 305242428 /nfs/dbraw/zinc/24/24/28/305242428.db2.gz RPQCJWUCDCKRHY-MRXNPFEDSA-N 2 2 339.505 1.507 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000443856214 305242429 /nfs/dbraw/zinc/24/24/29/305242429.db2.gz RPQCJWUCDCKRHY-MRXNPFEDSA-N 2 2 339.505 1.507 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000443856214 305242430 /nfs/dbraw/zinc/24/24/30/305242430.db2.gz RPQCJWUCDCKRHY-MRXNPFEDSA-N 2 2 339.505 1.507 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000443856214 305242431 /nfs/dbraw/zinc/24/24/31/305242431.db2.gz RPQCJWUCDCKRHY-MRXNPFEDSA-N 2 2 339.505 1.507 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2C)C[C@@H]1[NH+]1CCOCC1 ZINC000449137715 305307515 /nfs/dbraw/zinc/30/75/15/305307515.db2.gz GLIUDEZGRHYFDF-BPQIPLTHSA-N 2 2 331.460 1.564 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2C)C[C@H]1[NH+]1CCOCC1 ZINC000449137721 305307553 /nfs/dbraw/zinc/30/75/53/305307553.db2.gz GLIUDEZGRHYFDF-NXHRZFHOSA-N 2 2 331.460 1.564 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000449173258 305308652 /nfs/dbraw/zinc/30/86/52/305308652.db2.gz WYYUWQFADFHNHT-MSOLQXFVSA-N 2 2 343.475 1.579 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000449173258 305308653 /nfs/dbraw/zinc/30/86/53/305308653.db2.gz WYYUWQFADFHNHT-MSOLQXFVSA-N 2 2 343.475 1.579 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414906595 447351940 /nfs/dbraw/zinc/35/19/40/447351940.db2.gz ACZASJHWTXYPLL-WWGRRREGSA-N 2 2 333.432 1.778 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000517128078 305748048 /nfs/dbraw/zinc/74/80/48/305748048.db2.gz WMEJZJOJIIXBCM-CQSZACIVSA-N 2 2 332.370 1.236 20 0 EDADLP CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000517171996 305748790 /nfs/dbraw/zinc/74/87/90/305748790.db2.gz SMEFZDZOZJLUAP-GJZGRUSLSA-N 2 2 337.489 1.141 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000523284674 305808541 /nfs/dbraw/zinc/80/85/41/305808541.db2.gz YVKMWKIOUCXWFP-UHFFFAOYSA-N 2 2 340.431 1.753 20 0 EDADLP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000525859066 305829193 /nfs/dbraw/zinc/82/91/93/305829193.db2.gz IUIQAYKUSAMLKP-UHFFFAOYSA-N 2 2 343.431 1.374 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529296932 305906969 /nfs/dbraw/zinc/90/69/69/305906969.db2.gz GKRQBQUVXMXFDT-MRXNPFEDSA-N 2 2 325.416 1.956 20 0 EDADLP COC(=O)COC[C@@H](C)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000449192012 447367539 /nfs/dbraw/zinc/36/75/39/447367539.db2.gz XSUUDTNNCCUZOA-MRXNPFEDSA-N 2 2 342.480 1.437 20 0 EDADLP CCCCn1nnnc1CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000533538870 306000547 /nfs/dbraw/zinc/00/05/47/306000547.db2.gz GMGMCIQILBWOIZ-UHFFFAOYSA-N 2 2 349.527 1.464 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H]2c2ccccn2)CC1 ZINC000535431033 306013619 /nfs/dbraw/zinc/01/36/19/306013619.db2.gz OXSMBKRUYWFNGE-GOSISDBHSA-N 2 2 345.491 1.954 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536368786 306020539 /nfs/dbraw/zinc/02/05/39/306020539.db2.gz DWQNEENYWKZAPQ-UHFFFAOYSA-N 2 2 326.466 1.239 20 0 EDADLP CNC(=O)Cc1nc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cs1 ZINC000536371803 306020562 /nfs/dbraw/zinc/02/05/62/306020562.db2.gz ULIBBPAFSLSLIZ-UHFFFAOYSA-N 2 2 345.472 1.903 20 0 EDADLP COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000540076912 306038841 /nfs/dbraw/zinc/03/88/41/306038841.db2.gz IGJKMQOAXPZHFR-QGZVFWFLSA-N 2 2 331.460 1.476 20 0 EDADLP COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000540076912 306038842 /nfs/dbraw/zinc/03/88/42/306038842.db2.gz IGJKMQOAXPZHFR-QGZVFWFLSA-N 2 2 331.460 1.476 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C2)CC1 ZINC000542784264 306058360 /nfs/dbraw/zinc/05/83/60/306058360.db2.gz AOFPKXSMTLJHKC-GOSISDBHSA-N 2 2 345.491 1.146 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000548317793 306124233 /nfs/dbraw/zinc/12/42/33/306124233.db2.gz KGVNCJGPHXDDIG-KGLIPLIRSA-N 2 2 338.411 1.862 20 0 EDADLP NC(=O)NC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000548832298 306139531 /nfs/dbraw/zinc/13/95/31/306139531.db2.gz ZHNWPCXTSDKSCU-UHFFFAOYSA-N 2 2 338.839 1.479 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C[N@@H+]1C1CC1 ZINC000551064057 306155590 /nfs/dbraw/zinc/15/55/90/306155590.db2.gz MCUBNTOSAPWBKZ-UVBSCNOISA-N 2 2 349.500 1.926 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C[N@H+]1C1CC1 ZINC000551064057 306155591 /nfs/dbraw/zinc/15/55/91/306155591.db2.gz MCUBNTOSAPWBKZ-UVBSCNOISA-N 2 2 349.500 1.926 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000551446904 306158259 /nfs/dbraw/zinc/15/82/59/306158259.db2.gz IDJNKGMAFVFVDO-AWEZNQCLSA-N 2 2 339.461 1.037 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000553187578 306183525 /nfs/dbraw/zinc/18/35/25/306183525.db2.gz IASBEFFAQSTDPR-DOTOQJQBSA-N 2 2 347.507 1.144 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000553187578 306183526 /nfs/dbraw/zinc/18/35/26/306183526.db2.gz IASBEFFAQSTDPR-DOTOQJQBSA-N 2 2 347.507 1.144 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000557221604 306226787 /nfs/dbraw/zinc/22/67/87/306226787.db2.gz KRTDEFOVHSQHKF-QAQDUYKDSA-N 2 2 345.491 1.674 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000557225885 306226978 /nfs/dbraw/zinc/22/69/78/306226978.db2.gz AMWKIYOUKRGNCJ-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000557225885 306226979 /nfs/dbraw/zinc/22/69/79/306226979.db2.gz AMWKIYOUKRGNCJ-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[NH+](C2CCCC2)CC1 ZINC000377815812 447371375 /nfs/dbraw/zinc/37/13/75/447371375.db2.gz ZYQIKFBLYJDOEQ-IBGZPJMESA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[NH+](C2CCCC2)CC1 ZINC000377815812 447371380 /nfs/dbraw/zinc/37/13/80/447371380.db2.gz ZYQIKFBLYJDOEQ-IBGZPJMESA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000377815812 447371384 /nfs/dbraw/zinc/37/13/84/447371384.db2.gz ZYQIKFBLYJDOEQ-IBGZPJMESA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000377815812 447371390 /nfs/dbraw/zinc/37/13/90/447371390.db2.gz ZYQIKFBLYJDOEQ-IBGZPJMESA-N 2 2 349.519 1.964 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000414979913 447383759 /nfs/dbraw/zinc/38/37/59/447383759.db2.gz VEOIMOMYNKTBGF-ZGXWSNOMSA-N 3 2 328.504 1.390 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414979913 447383765 /nfs/dbraw/zinc/38/37/65/447383765.db2.gz VEOIMOMYNKTBGF-ZGXWSNOMSA-N 3 2 328.504 1.390 20 0 EDADLP CC[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000422178483 447388966 /nfs/dbraw/zinc/38/89/66/447388966.db2.gz JODMUZGYEZGKAO-GDBMZVCRSA-N 2 2 326.485 1.269 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000493774042 447390761 /nfs/dbraw/zinc/39/07/61/447390761.db2.gz YJYKNFUPLBDBDH-AFNCTOJWSA-N 2 2 343.431 1.087 20 0 EDADLP COC[C@]1(CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CCC[NH2+]1 ZINC000493842159 447407945 /nfs/dbraw/zinc/40/79/45/447407945.db2.gz GWZLRUSWJTVQRC-MTCRFPMVSA-N 2 2 340.427 1.770 20 0 EDADLP CC(C)C[C@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000057803629 441135995 /nfs/dbraw/zinc/13/59/95/441135995.db2.gz PHQNGYHRXFDQOL-JKSUJKDBSA-N 2 2 337.468 1.318 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000105090751 441232741 /nfs/dbraw/zinc/23/27/41/441232741.db2.gz YCBXMBYSSVJIGG-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000072487626 441233624 /nfs/dbraw/zinc/23/36/24/441233624.db2.gz QOIVWSQPQUELEF-KRWDZBQOSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000105125855 441236628 /nfs/dbraw/zinc/23/66/28/441236628.db2.gz PJGIDDMFCDZOGP-KBPBESRZSA-N 2 2 335.452 1.056 20 0 EDADLP C[NH+]1CCC(O)(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000080891435 441203943 /nfs/dbraw/zinc/20/39/43/441203943.db2.gz NORLBGVYCMHORD-UHFFFAOYSA-N 2 2 328.416 1.118 20 0 EDADLP CC(C)C[C@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000104949801 441223647 /nfs/dbraw/zinc/22/36/47/441223647.db2.gz LHLYGSFYBVUVRF-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000104949801 441223649 /nfs/dbraw/zinc/22/36/49/441223649.db2.gz LHLYGSFYBVUVRF-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000105786375 441268181 /nfs/dbraw/zinc/26/81/81/441268181.db2.gz AUPLOGVSLXNELY-HNNXBMFYSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000105786375 441268185 /nfs/dbraw/zinc/26/81/85/441268185.db2.gz AUPLOGVSLXNELY-HNNXBMFYSA-N 2 2 333.480 1.970 20 0 EDADLP Cc1cccc([C@H](CNC(=O)Cn2cc[nH+]c2)[NH+]2CCOCC2)c1 ZINC000072908631 441276549 /nfs/dbraw/zinc/27/65/49/441276549.db2.gz NLRBMWBPCYSYNR-KRWDZBQOSA-N 2 2 328.416 1.381 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)C1 ZINC000494495713 447438847 /nfs/dbraw/zinc/43/88/47/447438847.db2.gz ODLBNXWJOCPZGX-BMGTVUPLSA-N 2 2 333.480 1.178 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)C1 ZINC000494495713 447438854 /nfs/dbraw/zinc/43/88/54/447438854.db2.gz ODLBNXWJOCPZGX-BMGTVUPLSA-N 2 2 333.480 1.178 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000073499024 441321404 /nfs/dbraw/zinc/32/14/04/441321404.db2.gz ANXHGULMRYNIAU-UHFFFAOYSA-N 2 2 337.468 1.416 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000081998235 441329923 /nfs/dbraw/zinc/32/99/23/441329923.db2.gz NDGKUNQXWOZFBX-UHFFFAOYSA-N 2 2 330.432 1.954 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000062504527 441303962 /nfs/dbraw/zinc/30/39/62/441303962.db2.gz HPJKAPLXEWPPCY-OAHLLOKOSA-N 2 2 334.464 1.981 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3ccncc3)CC2)CC1 ZINC000050799153 441389864 /nfs/dbraw/zinc/38/98/64/441389864.db2.gz URGMJBSKGFNINJ-NSCUHMNNSA-N 2 2 328.460 1.770 20 0 EDADLP NC(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000026221468 441371401 /nfs/dbraw/zinc/37/14/01/441371401.db2.gz ZTPPRZAEHANYNO-IBGZPJMESA-N 2 2 339.439 1.835 20 0 EDADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)NCC(F)(F)F ZINC000064344488 441374654 /nfs/dbraw/zinc/37/46/54/441374654.db2.gz GJXVBNBYDRYZFJ-UHFFFAOYSA-N 2 2 337.386 1.099 20 0 EDADLP Cc1cccn2c(C[NH2+]C3CCN(S(=O)(=O)C4CC4)CC3)c[nH+]c12 ZINC000084961797 441426902 /nfs/dbraw/zinc/42/69/02/441426902.db2.gz DMYZQRDKTLJNAQ-UHFFFAOYSA-N 2 2 348.472 1.689 20 0 EDADLP O=c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc2ccc(Br)cn12 ZINC000107855151 441431907 /nfs/dbraw/zinc/43/19/07/441431907.db2.gz ADAAEUZAIVXBGS-GHMZBOCLSA-N 2 2 349.232 1.108 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074851708 441472628 /nfs/dbraw/zinc/47/26/28/441472628.db2.gz WNUQCMJICFKWIY-RDJZCZTQSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074851708 441472632 /nfs/dbraw/zinc/47/26/32/441472632.db2.gz WNUQCMJICFKWIY-RDJZCZTQSA-N 2 2 338.496 1.080 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000089129834 441527245 /nfs/dbraw/zinc/52/72/45/441527245.db2.gz DMESCAKSWCHPGQ-OAHLLOKOSA-N 2 2 336.407 1.766 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000089129834 441527248 /nfs/dbraw/zinc/52/72/48/441527248.db2.gz DMESCAKSWCHPGQ-OAHLLOKOSA-N 2 2 336.407 1.766 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H](O)c2cccc(F)c2)CC1 ZINC000089305305 441536389 /nfs/dbraw/zinc/53/63/89/441536389.db2.gz MKXYIMBOYINMHI-KRWDZBQOSA-N 2 2 337.439 1.391 20 0 EDADLP O=S(=O)(NCC[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000109792383 441507960 /nfs/dbraw/zinc/50/79/60/441507960.db2.gz CZNPUYIEGUIMNW-UHFFFAOYSA-N 2 2 334.445 1.499 20 0 EDADLP O=C(CC[NH+]1CCOCC1)Nc1cc(NCc2[nH]cc[nH+]2)ccc1F ZINC000089792550 441579893 /nfs/dbraw/zinc/57/98/93/441579893.db2.gz HFJMRRSNLKQCLZ-UHFFFAOYSA-N 2 2 347.394 1.822 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000054509683 441581937 /nfs/dbraw/zinc/58/19/37/441581937.db2.gz PHMLWBSBECASBF-SFHVURJKSA-N 2 2 345.491 1.641 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000054509683 441581941 /nfs/dbraw/zinc/58/19/41/441581941.db2.gz PHMLWBSBECASBF-SFHVURJKSA-N 2 2 345.491 1.641 20 0 EDADLP CN1CC[NH+]([C@@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)c2ccccc2)CC1 ZINC000113454729 441609437 /nfs/dbraw/zinc/60/94/37/441609437.db2.gz DSDFDUOTDSLDPQ-PKOBYXMFSA-N 2 2 344.503 1.385 20 0 EDADLP COc1c(C)c[nH+]c(CN2CCC[N@H+](CC(=O)N(C)C)CC2)c1C ZINC000067226921 441618362 /nfs/dbraw/zinc/61/83/62/441618362.db2.gz XGOBMQJDUMVZFC-UHFFFAOYSA-N 2 2 334.464 1.303 20 0 EDADLP COc1c(C)c[nH+]c(CN2CCC[N@@H+](CC(=O)N(C)C)CC2)c1C ZINC000067226921 441618368 /nfs/dbraw/zinc/61/83/68/441618368.db2.gz XGOBMQJDUMVZFC-UHFFFAOYSA-N 2 2 334.464 1.303 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000067289515 441624966 /nfs/dbraw/zinc/62/49/66/441624966.db2.gz XIMPPPLKWJQOLU-ZWKOTPCHSA-N 2 2 339.524 1.970 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200139 441642193 /nfs/dbraw/zinc/64/21/93/441642193.db2.gz BNCICTOFTZXKMA-GDBMZVCRSA-N 2 2 332.448 1.284 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200139 441642198 /nfs/dbraw/zinc/64/21/98/441642198.db2.gz BNCICTOFTZXKMA-GDBMZVCRSA-N 2 2 332.448 1.284 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000137026564 441739119 /nfs/dbraw/zinc/73/91/19/441739119.db2.gz UXVHTVXCJFPXGF-FYCOFBDGSA-N 2 2 332.448 1.630 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000173444895 441751974 /nfs/dbraw/zinc/75/19/74/441751974.db2.gz NFFKNWORFBVBRU-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077349019 441760992 /nfs/dbraw/zinc/76/09/92/441760992.db2.gz OEIRPOBBGKRQQO-MRXNPFEDSA-N 2 2 349.479 1.463 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)NCCn3cc[nH+]c3)CC2)cs1 ZINC000068277209 441766562 /nfs/dbraw/zinc/76/65/62/441766562.db2.gz OJVIHGDWUXTBBX-UHFFFAOYSA-N 2 2 333.461 1.676 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000115739314 441775606 /nfs/dbraw/zinc/77/56/06/441775606.db2.gz VLJDUTBEXMHBLZ-SFHVURJKSA-N 2 2 336.476 1.513 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000115739314 441775612 /nfs/dbraw/zinc/77/56/12/441775612.db2.gz VLJDUTBEXMHBLZ-SFHVURJKSA-N 2 2 336.476 1.513 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173566463 441793992 /nfs/dbraw/zinc/79/39/92/441793992.db2.gz RPMDGVOTXLZJEZ-CQSZACIVSA-N 2 2 346.431 1.409 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173566463 441793998 /nfs/dbraw/zinc/79/39/98/441793998.db2.gz RPMDGVOTXLZJEZ-CQSZACIVSA-N 2 2 346.431 1.409 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)n1 ZINC000173593287 441800759 /nfs/dbraw/zinc/80/07/59/441800759.db2.gz DIQOYDIZITVIND-SJORKVTESA-N 2 2 345.491 1.723 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)n1 ZINC000173593287 441800761 /nfs/dbraw/zinc/80/07/61/441800761.db2.gz DIQOYDIZITVIND-SJORKVTESA-N 2 2 345.491 1.723 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCN(c2ccc(F)cc2)CC1 ZINC000093193772 441864089 /nfs/dbraw/zinc/86/40/89/441864089.db2.gz KDORIWUAOQEZQL-UHFFFAOYSA-N 2 2 348.466 1.500 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCN(c2ccc(F)cc2)CC1 ZINC000093193772 441864091 /nfs/dbraw/zinc/86/40/91/441864091.db2.gz KDORIWUAOQEZQL-UHFFFAOYSA-N 2 2 348.466 1.500 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000043160901 441823861 /nfs/dbraw/zinc/82/38/61/441823861.db2.gz XBLMCDACYCCOJS-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000043160901 441823866 /nfs/dbraw/zinc/82/38/66/441823866.db2.gz XBLMCDACYCCOJS-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[C@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@@H+]1CCOC ZINC000092940923 441842378 /nfs/dbraw/zinc/84/23/78/441842378.db2.gz AYOYCQTXXMARIW-INIZCTEOSA-N 2 2 344.463 1.908 20 0 EDADLP CCC[C@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@H+]1CCOC ZINC000092940923 441842382 /nfs/dbraw/zinc/84/23/82/441842382.db2.gz AYOYCQTXXMARIW-INIZCTEOSA-N 2 2 344.463 1.908 20 0 EDADLP [NH3+]C1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCCCCC1 ZINC000122475098 441851206 /nfs/dbraw/zinc/85/12/06/441851206.db2.gz JCGADOXOKHCPGO-UHFFFAOYSA-N 2 2 345.491 1.372 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000093045813 441853386 /nfs/dbraw/zinc/85/33/86/441853386.db2.gz SXPJAVYNGVKDFB-UHFFFAOYSA-N 2 2 349.475 1.690 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842356 441906743 /nfs/dbraw/zinc/90/67/43/441906743.db2.gz CWTIBKQJOLUGJR-HZPDHXFCSA-N 2 2 333.476 1.974 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842356 441906747 /nfs/dbraw/zinc/90/67/47/441906747.db2.gz CWTIBKQJOLUGJR-HZPDHXFCSA-N 2 2 333.476 1.974 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842356 441906754 /nfs/dbraw/zinc/90/67/54/441906754.db2.gz CWTIBKQJOLUGJR-HZPDHXFCSA-N 2 2 333.476 1.974 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842356 441906758 /nfs/dbraw/zinc/90/67/58/441906758.db2.gz CWTIBKQJOLUGJR-HZPDHXFCSA-N 2 2 333.476 1.974 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117794336 441878528 /nfs/dbraw/zinc/87/85/28/441878528.db2.gz XWHUPZLEMQREKC-HNNXBMFYSA-N 2 2 327.432 1.238 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCN2CCc3ccccc32)CC[N@@H+]1C ZINC000123515148 441889622 /nfs/dbraw/zinc/88/96/22/441889622.db2.gz IQDCACJPRYNQKZ-FUHWJXTLSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCN2CCc3ccccc32)CC[N@H+]1C ZINC000123515148 441889625 /nfs/dbraw/zinc/88/96/25/441889625.db2.gz IQDCACJPRYNQKZ-FUHWJXTLSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCCN2CCc3ccccc32)CC[NH+]1C ZINC000123515148 441889628 /nfs/dbraw/zinc/88/96/28/441889628.db2.gz IQDCACJPRYNQKZ-FUHWJXTLSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCCN2CCc3ccccc32)CC[NH+]1C ZINC000123515148 441889632 /nfs/dbraw/zinc/88/96/32/441889632.db2.gz IQDCACJPRYNQKZ-FUHWJXTLSA-N 2 2 344.503 1.580 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077982581 441891674 /nfs/dbraw/zinc/89/16/74/441891674.db2.gz FINPYKZHCPLLMG-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077982581 441891681 /nfs/dbraw/zinc/89/16/81/441891681.db2.gz FINPYKZHCPLLMG-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000119557732 441940057 /nfs/dbraw/zinc/94/00/57/441940057.db2.gz CNJGKTJTZRPTNJ-CQSZACIVSA-N 2 2 348.447 1.657 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000119557732 441940062 /nfs/dbraw/zinc/94/00/62/441940062.db2.gz CNJGKTJTZRPTNJ-CQSZACIVSA-N 2 2 348.447 1.657 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174888679 441980228 /nfs/dbraw/zinc/98/02/28/441980228.db2.gz VMASPVCXMIHMEI-SFHVURJKSA-N 2 2 338.540 1.737 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174888679 441980230 /nfs/dbraw/zinc/98/02/30/441980230.db2.gz VMASPVCXMIHMEI-SFHVURJKSA-N 2 2 338.540 1.737 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125256293 442003016 /nfs/dbraw/zinc/00/30/16/442003016.db2.gz ZPTGNINCKMOVTR-CQSZACIVSA-N 2 2 333.436 1.074 20 0 EDADLP COc1cccc([C@H](CNC(=O)NCCn2cc[nH+]c2)[NH+](C)C)c1 ZINC000079222915 442030486 /nfs/dbraw/zinc/03/04/86/442030486.db2.gz QVROSDHQDBMUKO-INIZCTEOSA-N 2 2 331.420 1.494 20 0 EDADLP CCC(CC)[C@H](CNC(=O)NCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000079254094 442032321 /nfs/dbraw/zinc/03/23/21/442032321.db2.gz JRRYOASJESFIHK-INIZCTEOSA-N 2 2 337.468 1.319 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175608646 442092780 /nfs/dbraw/zinc/09/27/80/442092780.db2.gz CGEKKHUDLUGSKI-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(NC(N)=O)CC3)c2cc1C ZINC000079467209 442051633 /nfs/dbraw/zinc/05/16/33/442051633.db2.gz IBSLUEKDWOGAOR-HNNXBMFYSA-N 2 2 345.447 1.147 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cn1 ZINC000151482531 442068608 /nfs/dbraw/zinc/06/86/08/442068608.db2.gz JEVWPCMPIMVORE-LBPRGKRZSA-N 2 2 331.445 1.952 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000162666513 442113519 /nfs/dbraw/zinc/11/35/19/442113519.db2.gz MGVRCIUHYLEOLS-LBPRGKRZSA-N 2 2 331.338 1.229 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000162666513 442113523 /nfs/dbraw/zinc/11/35/23/442113523.db2.gz MGVRCIUHYLEOLS-LBPRGKRZSA-N 2 2 331.338 1.229 20 0 EDADLP CCC(CC)(C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000120686388 442116578 /nfs/dbraw/zinc/11/65/78/442116578.db2.gz VNYKNPCEDNIXFZ-QLFBSQMISA-N 2 2 330.469 1.026 20 0 EDADLP CCC(CC)(C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000120686388 442116582 /nfs/dbraw/zinc/11/65/82/442116582.db2.gz VNYKNPCEDNIXFZ-QLFBSQMISA-N 2 2 330.469 1.026 20 0 EDADLP CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000151895007 442136372 /nfs/dbraw/zinc/13/63/72/442136372.db2.gz CZGHMYZDRQVYNV-MSOLQXFVSA-N 2 2 342.443 1.439 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000152373101 442204416 /nfs/dbraw/zinc/20/44/16/442204416.db2.gz KUCRWVOWUGPHSK-HUUCEWRRSA-N 2 2 339.480 1.060 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000152373101 442204419 /nfs/dbraw/zinc/20/44/19/442204419.db2.gz KUCRWVOWUGPHSK-HUUCEWRRSA-N 2 2 339.480 1.060 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000152373101 442204424 /nfs/dbraw/zinc/20/44/24/442204424.db2.gz KUCRWVOWUGPHSK-HUUCEWRRSA-N 2 2 339.480 1.060 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000152373101 442204425 /nfs/dbraw/zinc/20/44/25/442204425.db2.gz KUCRWVOWUGPHSK-HUUCEWRRSA-N 2 2 339.480 1.060 20 0 EDADLP CC(C)[C@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127165735 442177125 /nfs/dbraw/zinc/17/71/25/442177125.db2.gz RJMQDQOZCLKEMW-HNNXBMFYSA-N 2 2 340.493 1.168 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CC[NH+](C3CCCCC3)CC2)nc[nH+]1 ZINC000152440253 442213018 /nfs/dbraw/zinc/21/30/18/442213018.db2.gz AIOWIHSDLDYDKY-KRWDZBQOSA-N 2 2 345.491 1.892 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CC[C@H]([NH3+])C3)CCCC2)no1 ZINC000166157005 442214157 /nfs/dbraw/zinc/21/41/57/442214157.db2.gz ARSBCPPLEITZMM-KBPBESRZSA-N 2 2 349.479 1.924 20 0 EDADLP O=C(CN1CC[C@H]([NH+]2CCCC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000170739963 442255815 /nfs/dbraw/zinc/25/58/15/442255815.db2.gz UVTNQNKUJCBTDG-KRWDZBQOSA-N 2 2 346.475 1.094 20 0 EDADLP O=C(CC[NH2+]CC1=CCCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000176832329 442261849 /nfs/dbraw/zinc/26/18/49/442261849.db2.gz KEVCSLDCOGJTDZ-UHFFFAOYSA-N 2 2 330.432 1.057 20 0 EDADLP C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153186158 442265846 /nfs/dbraw/zinc/26/58/46/442265846.db2.gz SYMPTGYTTYANJT-AWEZNQCLSA-N 2 2 328.416 1.805 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000170827269 442269667 /nfs/dbraw/zinc/26/96/67/442269667.db2.gz JQUZWQDRUJEBHN-JKSUJKDBSA-N 2 2 345.422 1.994 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCC[NH+](C)C)c1 ZINC000176920160 442273266 /nfs/dbraw/zinc/27/32/66/442273266.db2.gz GTAWAIJZLVETOW-UHFFFAOYSA-N 2 2 329.404 1.094 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000176958528 442277935 /nfs/dbraw/zinc/27/79/35/442277935.db2.gz MWYXDCYZZBPXAQ-UHFFFAOYSA-N 2 2 341.415 1.190 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000170886856 442283332 /nfs/dbraw/zinc/28/33/32/442283332.db2.gz IVJQXLPKMQGJIK-KBPBESRZSA-N 2 2 330.432 1.570 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000170901998 442285749 /nfs/dbraw/zinc/28/57/49/442285749.db2.gz RUXOXCBLAVUNML-MAUKXSAKSA-N 2 2 331.460 1.995 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000170901998 442285751 /nfs/dbraw/zinc/28/57/51/442285751.db2.gz RUXOXCBLAVUNML-MAUKXSAKSA-N 2 2 331.460 1.995 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000177024705 442287111 /nfs/dbraw/zinc/28/71/11/442287111.db2.gz URKPSAXREPLEMO-HNNXBMFYSA-N 2 2 341.415 1.236 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000177024705 442287113 /nfs/dbraw/zinc/28/71/13/442287113.db2.gz URKPSAXREPLEMO-HNNXBMFYSA-N 2 2 341.415 1.236 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000153647403 442294318 /nfs/dbraw/zinc/29/43/18/442294318.db2.gz BJANSOQVEGLHPS-UHFFFAOYSA-N 2 2 349.479 1.372 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000153647403 442294322 /nfs/dbraw/zinc/29/43/22/442294322.db2.gz BJANSOQVEGLHPS-UHFFFAOYSA-N 2 2 349.479 1.372 20 0 EDADLP CC1(C)CC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000171002755 442297549 /nfs/dbraw/zinc/29/75/49/442297549.db2.gz FNRSKGUCXYFGJX-UHFFFAOYSA-N 2 2 340.512 1.706 20 0 EDADLP CC1(C)CC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000171002755 442297551 /nfs/dbraw/zinc/29/75/51/442297551.db2.gz FNRSKGUCXYFGJX-UHFFFAOYSA-N 2 2 340.512 1.706 20 0 EDADLP CCO[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000177133814 442302362 /nfs/dbraw/zinc/30/23/62/442302362.db2.gz NODHVURCJCQNJW-GOSISDBHSA-N 2 2 333.476 1.906 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3cnccn3)c2cc1C ZINC000177254641 442321361 /nfs/dbraw/zinc/32/13/61/442321361.db2.gz GTFMHVAYQMDIGJ-INIZCTEOSA-N 2 2 325.416 1.936 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3cnccn3)c2cc1C ZINC000177254641 442321363 /nfs/dbraw/zinc/32/13/63/442321363.db2.gz GTFMHVAYQMDIGJ-INIZCTEOSA-N 2 2 325.416 1.936 20 0 EDADLP C[C@@H]1C[N@H+](C2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)CCO1 ZINC000154365980 442335235 /nfs/dbraw/zinc/33/52/35/442335235.db2.gz KQPDTMMZEORLSR-GFCCVEGCSA-N 2 2 337.386 1.240 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)[nH+]1 ZINC000154411883 442338069 /nfs/dbraw/zinc/33/80/69/442338069.db2.gz XIHATNMKPNNFNZ-OAHLLOKOSA-N 2 2 332.448 1.970 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)[nH+]1 ZINC000154411883 442338070 /nfs/dbraw/zinc/33/80/70/442338070.db2.gz XIHATNMKPNNFNZ-OAHLLOKOSA-N 2 2 332.448 1.970 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000130335841 442344034 /nfs/dbraw/zinc/34/40/34/442344034.db2.gz CNSXGBDMIKZQGK-HNNXBMFYSA-N 2 2 331.464 1.557 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[C@H]2CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000130513323 442348619 /nfs/dbraw/zinc/34/86/19/442348619.db2.gz YYHPUXJUYVCDOI-AEFFLSMTSA-N 2 2 331.460 1.484 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000154938003 442365757 /nfs/dbraw/zinc/36/57/57/442365757.db2.gz VEYHULDTENHOLP-DOTOQJQBSA-N 2 2 345.491 1.891 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000154938003 442365758 /nfs/dbraw/zinc/36/57/58/442365758.db2.gz VEYHULDTENHOLP-DOTOQJQBSA-N 2 2 345.491 1.891 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000154938003 442365760 /nfs/dbraw/zinc/36/57/60/442365760.db2.gz VEYHULDTENHOLP-DOTOQJQBSA-N 2 2 345.491 1.891 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000154938003 442365763 /nfs/dbraw/zinc/36/57/63/442365763.db2.gz VEYHULDTENHOLP-DOTOQJQBSA-N 2 2 345.491 1.891 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000155152081 442378293 /nfs/dbraw/zinc/37/82/93/442378293.db2.gz JWVGTWQPTYQUQS-IEBWSBKVSA-N 3 2 347.503 1.970 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)n1 ZINC000155308471 442386541 /nfs/dbraw/zinc/38/65/41/442386541.db2.gz YEXPZNQHCQAKAR-SUMWQHHRSA-N 2 2 333.480 1.687 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)n1 ZINC000155308471 442386543 /nfs/dbraw/zinc/38/65/43/442386543.db2.gz YEXPZNQHCQAKAR-SUMWQHHRSA-N 2 2 333.480 1.687 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000177917895 442395627 /nfs/dbraw/zinc/39/56/27/442395627.db2.gz HVHPTEJLKAILNZ-GJZGRUSLSA-N 2 2 345.447 1.633 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H]1CCOC1 ZINC000178337843 442425466 /nfs/dbraw/zinc/42/54/66/442425466.db2.gz JPJLREGXVHMPGJ-OAHLLOKOSA-N 2 2 337.489 1.361 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H]1CCOC1 ZINC000178337843 442425470 /nfs/dbraw/zinc/42/54/70/442425470.db2.gz JPJLREGXVHMPGJ-OAHLLOKOSA-N 2 2 337.489 1.361 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[NH+](C)C)c1 ZINC000155785138 442427296 /nfs/dbraw/zinc/42/72/96/442427296.db2.gz JWWAHAKNLREXPT-WBVHZDCISA-N 2 2 342.443 1.873 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000134174376 442454765 /nfs/dbraw/zinc/45/47/65/442454765.db2.gz BMJIJJGQOIAPDZ-QGZVFWFLSA-N 2 2 345.491 1.891 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000134174376 442454767 /nfs/dbraw/zinc/45/47/67/442454767.db2.gz BMJIJJGQOIAPDZ-QGZVFWFLSA-N 2 2 345.491 1.891 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000191511311 442456463 /nfs/dbraw/zinc/45/64/63/442456463.db2.gz RHJRPGIDDNPNBL-IBGZPJMESA-N 3 2 338.540 1.057 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000191511311 442456469 /nfs/dbraw/zinc/45/64/69/442456469.db2.gz RHJRPGIDDNPNBL-IBGZPJMESA-N 3 2 338.540 1.057 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000179474957 442462960 /nfs/dbraw/zinc/46/29/60/442462960.db2.gz HOPPCLNFAPWTMT-ZFWWWQNUSA-N 2 2 333.436 1.534 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000179474957 442462963 /nfs/dbraw/zinc/46/29/63/442462963.db2.gz HOPPCLNFAPWTMT-ZFWWWQNUSA-N 2 2 333.436 1.534 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2ccnc(F)c2)([NH+]2CCCCC2)CC1 ZINC000172750704 442534046 /nfs/dbraw/zinc/53/40/46/442534046.db2.gz SYKUNWFHSYTNSZ-UHFFFAOYSA-N 2 2 334.439 1.901 20 0 EDADLP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000186448500 442536474 /nfs/dbraw/zinc/53/64/74/442536474.db2.gz OGFBWDLFMRTOAZ-QGZVFWFLSA-N 2 2 332.448 1.866 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)O[C@H](CO)C3)c2cc1C ZINC000191788398 442511432 /nfs/dbraw/zinc/51/14/32/442511432.db2.gz UCCCLSDSDIWHFX-XHSDSOJGSA-N 2 2 333.432 1.096 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)O[C@H](CO)C3)c2cc1C ZINC000191788398 442511437 /nfs/dbraw/zinc/51/14/37/442511437.db2.gz UCCCLSDSDIWHFX-XHSDSOJGSA-N 2 2 333.432 1.096 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)c2cc(-n3cccn3)nc(N)[nH+]2)c1C ZINC000179899728 442516903 /nfs/dbraw/zinc/51/69/03/442516903.db2.gz KMRSPUBFGBTMBE-UHFFFAOYSA-N 2 2 339.403 1.901 20 0 EDADLP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H](C)O1 ZINC000192071732 442584747 /nfs/dbraw/zinc/58/47/47/442584747.db2.gz ZKQXRRRGXXWUJR-PBHICJAKSA-N 2 2 329.400 1.943 20 0 EDADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C[C@@H](C)O1 ZINC000192071732 442584750 /nfs/dbraw/zinc/58/47/50/442584750.db2.gz ZKQXRRRGXXWUJR-PBHICJAKSA-N 2 2 329.400 1.943 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCc2ccccc2COC)CC1 ZINC000157459142 442585813 /nfs/dbraw/zinc/58/58/13/442585813.db2.gz QOLPMBODCBDACE-UHFFFAOYSA-N 2 2 333.476 1.865 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccccc2COC)CC1 ZINC000157459142 442585817 /nfs/dbraw/zinc/58/58/17/442585817.db2.gz QOLPMBODCBDACE-UHFFFAOYSA-N 2 2 333.476 1.865 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC2)c1 ZINC000192087623 442588758 /nfs/dbraw/zinc/58/87/58/442588758.db2.gz ZJOMZCBOYORYOV-ZIAGYGMSSA-N 2 2 335.448 1.331 20 0 EDADLP C(CC[NH+]1CCN(CC2CC2)CC1)CN1CC[NH+](CC2CC2)CC1 ZINC000157601922 442596553 /nfs/dbraw/zinc/59/65/53/442596553.db2.gz ZIOQJPHSQHDKRH-UHFFFAOYSA-N 2 2 334.552 1.822 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192131246 442599490 /nfs/dbraw/zinc/59/94/90/442599490.db2.gz QRVJNKAITNESEO-JTUUTPGSSA-N 2 2 345.495 1.312 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192131246 442599494 /nfs/dbraw/zinc/59/94/94/442599494.db2.gz QRVJNKAITNESEO-JTUUTPGSSA-N 2 2 345.495 1.312 20 0 EDADLP CC(C)(CNC(=O)C[NH2+][C@H](c1ccccc1)C1CC1)[NH+]1CCOCC1 ZINC000192510836 442655760 /nfs/dbraw/zinc/65/57/60/442655760.db2.gz DHULRHNGNBIUIG-LJQANCHMSA-N 2 2 345.487 1.954 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180496465 442612449 /nfs/dbraw/zinc/61/24/49/442612449.db2.gz ALPKGGSZSXTNSE-BEFAXECRSA-N 2 2 345.466 1.874 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)[NH+]1CCOCC1 ZINC000173178470 442617247 /nfs/dbraw/zinc/61/72/47/442617247.db2.gz RCZOMNPNVVCTAJ-DOTOQJQBSA-N 2 2 325.497 1.581 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC)C1)[NH+]1CCOCC1 ZINC000173178470 442617252 /nfs/dbraw/zinc/61/72/52/442617252.db2.gz RCZOMNPNVVCTAJ-DOTOQJQBSA-N 2 2 325.497 1.581 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2ccccc2O)CC1 ZINC000179315344 442619493 /nfs/dbraw/zinc/61/94/93/442619493.db2.gz PDMUPOLNSVDMMP-UHFFFAOYSA-N 2 2 334.464 1.260 20 0 EDADLP O=C1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000181025325 442675757 /nfs/dbraw/zinc/67/57/57/442675757.db2.gz MRPLHNYGZPRXGX-SJLPKXTDSA-N 2 2 329.444 1.197 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1(C)C ZINC000188067126 442707393 /nfs/dbraw/zinc/70/73/93/442707393.db2.gz WTUVHAWHUXFKKC-RDTXWAMCSA-N 2 2 343.431 1.416 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619056309 450394544 /nfs/dbraw/zinc/39/45/44/450394544.db2.gz PRWPCJLIYYTSCC-CYBMUJFWSA-N 2 2 347.463 1.633 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000180998999 442673731 /nfs/dbraw/zinc/67/37/31/442673731.db2.gz KSAUNFKXKOBACU-CRAIPNDOSA-N 3 2 332.492 1.550 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000180998999 442673732 /nfs/dbraw/zinc/67/37/32/442673732.db2.gz KSAUNFKXKOBACU-CRAIPNDOSA-N 3 2 332.492 1.550 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)c1 ZINC000193290774 442730293 /nfs/dbraw/zinc/73/02/93/442730293.db2.gz OAFCVZLIBFQAKR-CQSZACIVSA-N 2 2 335.448 1.475 20 0 EDADLP C[N@H+](CC(=O)NCC1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286310 442733610 /nfs/dbraw/zinc/73/36/10/442733610.db2.gz OJQQFZGSTIHTGC-IBGZPJMESA-N 2 2 331.460 1.081 20 0 EDADLP C[N@@H+](CC(=O)NCC1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286310 442733613 /nfs/dbraw/zinc/73/36/13/442733613.db2.gz OJQQFZGSTIHTGC-IBGZPJMESA-N 2 2 331.460 1.081 20 0 EDADLP C[NH+](CC(=O)NCC1CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188286310 442733616 /nfs/dbraw/zinc/73/36/16/442733616.db2.gz OJQQFZGSTIHTGC-IBGZPJMESA-N 2 2 331.460 1.081 20 0 EDADLP C[NH+](CC(=O)NCC1CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188286310 442733618 /nfs/dbraw/zinc/73/36/18/442733618.db2.gz OJQQFZGSTIHTGC-IBGZPJMESA-N 2 2 331.460 1.081 20 0 EDADLP CCCNC(=O)[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188304467 442736089 /nfs/dbraw/zinc/73/60/89/442736089.db2.gz YQFYGPPLJQPVCC-QFBILLFUSA-N 2 2 333.476 1.470 20 0 EDADLP CCCNC(=O)[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188304467 442736093 /nfs/dbraw/zinc/73/60/93/442736093.db2.gz YQFYGPPLJQPVCC-QFBILLFUSA-N 2 2 333.476 1.470 20 0 EDADLP CCCNC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188304467 442736095 /nfs/dbraw/zinc/73/60/95/442736095.db2.gz YQFYGPPLJQPVCC-QFBILLFUSA-N 2 2 333.476 1.470 20 0 EDADLP CCCNC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188304467 442736097 /nfs/dbraw/zinc/73/60/97/442736097.db2.gz YQFYGPPLJQPVCC-QFBILLFUSA-N 2 2 333.476 1.470 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2c[nH]nc2-c2ccsc2)CC1 ZINC000188083111 442709163 /nfs/dbraw/zinc/70/91/63/442709163.db2.gz IWBLDRPYLHHUTP-UHFFFAOYSA-N 2 2 347.488 1.894 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000181684339 442709868 /nfs/dbraw/zinc/70/98/68/442709868.db2.gz RQTNTLLMSWXBNT-KRWDZBQOSA-N 2 2 327.469 1.016 20 0 EDADLP CCCn1c(C)nnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182614456 442795300 /nfs/dbraw/zinc/79/53/00/442795300.db2.gz LBTDJCJELLKCFX-JWTNVVGKSA-N 2 2 346.523 1.739 20 0 EDADLP CCCn1c(C)nnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182614456 442795302 /nfs/dbraw/zinc/79/53/02/442795302.db2.gz LBTDJCJELLKCFX-JWTNVVGKSA-N 2 2 346.523 1.739 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nccn1C ZINC000182468516 442772426 /nfs/dbraw/zinc/77/24/26/442772426.db2.gz ARPSHOVRTWMLTH-MRXNPFEDSA-N 2 2 328.464 1.808 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182472483 442773365 /nfs/dbraw/zinc/77/33/65/442773365.db2.gz PIMDFQJEEWTIAD-MOPGFXCFSA-N 2 2 345.487 1.219 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182472483 442773370 /nfs/dbraw/zinc/77/33/70/442773370.db2.gz PIMDFQJEEWTIAD-MOPGFXCFSA-N 2 2 345.487 1.219 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246418133 442781062 /nfs/dbraw/zinc/78/10/62/442781062.db2.gz LMPDAKQFGDRCGE-JYJNAYRXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246418133 442781064 /nfs/dbraw/zinc/78/10/64/442781064.db2.gz LMPDAKQFGDRCGE-JYJNAYRXSA-N 2 2 326.485 1.079 20 0 EDADLP O=C(NCCCO)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000265466441 442783992 /nfs/dbraw/zinc/78/39/92/442783992.db2.gz GZAOFHZZRZOEHJ-UHFFFAOYSA-N 2 2 342.443 1.583 20 0 EDADLP C[C@@H](CCNC(=O)N(C)CC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000182713240 442812268 /nfs/dbraw/zinc/81/22/68/442812268.db2.gz HJIDQZWTMDMPKR-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP C[C@H]1CC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246885084 442819777 /nfs/dbraw/zinc/81/97/77/442819777.db2.gz BDLPOEZXESKIMZ-LSDHHAIUSA-N 2 2 345.447 1.631 20 0 EDADLP C[C@H]1CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246885084 442819780 /nfs/dbraw/zinc/81/97/80/442819780.db2.gz BDLPOEZXESKIMZ-LSDHHAIUSA-N 2 2 345.447 1.631 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC(=O)OC(C)(C)C)CC1 ZINC000175806893 318440077 /nfs/dbraw/zinc/44/00/77/318440077.db2.gz OOCHKMRABOKBOZ-UHFFFAOYSA-N 2 2 342.484 1.043 20 0 EDADLP C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000189886985 443024933 /nfs/dbraw/zinc/02/49/33/443024933.db2.gz MLAYCQIUMVDESS-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnn(CCOC)c2)nc[nH+]1 ZINC000266178644 443047023 /nfs/dbraw/zinc/04/70/23/443047023.db2.gz FHNDMLHEKWCWHM-OAHLLOKOSA-N 2 2 345.451 1.120 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000296587781 318709553 /nfs/dbraw/zinc/70/95/53/318709553.db2.gz UFXJEKGVAFQHFG-UHFFFAOYSA-N 2 2 341.459 1.801 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000296595355 318710562 /nfs/dbraw/zinc/71/05/62/318710562.db2.gz XWZXHNHZPXNYAZ-AEFFLSMTSA-N 2 2 333.476 1.873 20 0 EDADLP CC(=O)N1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@H](C)C1 ZINC000268620489 443054442 /nfs/dbraw/zinc/05/44/42/443054442.db2.gz ADLSUEPCYWCEIE-RDJZCZTQSA-N 2 2 344.459 1.567 20 0 EDADLP CC(=O)N1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@H](C)C1 ZINC000268620489 443054446 /nfs/dbraw/zinc/05/44/46/443054446.db2.gz ADLSUEPCYWCEIE-RDJZCZTQSA-N 2 2 344.459 1.567 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000268645097 443062781 /nfs/dbraw/zinc/06/27/81/443062781.db2.gz YLLGXXBYDFSYEW-UHFFFAOYSA-N 2 2 345.447 1.369 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c[nH+]1 ZINC000268898605 443140572 /nfs/dbraw/zinc/14/05/72/443140572.db2.gz LJFJEFUCDQKOOK-CVEARBPZSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c[nH+]1 ZINC000268898605 443140576 /nfs/dbraw/zinc/14/05/76/443140576.db2.gz LJFJEFUCDQKOOK-CVEARBPZSA-N 2 2 331.464 1.773 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)[NH+]1CCOCC1 ZINC000236668512 443143370 /nfs/dbraw/zinc/14/33/70/443143370.db2.gz VDKHJEYUPNQTKR-ROUUACIJSA-N 2 2 331.460 1.346 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735076 443166727 /nfs/dbraw/zinc/16/67/27/443166727.db2.gz LFWKKPQHSDHZTA-IAQYHMDHSA-N 2 2 340.265 1.786 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735076 443166731 /nfs/dbraw/zinc/16/67/31/443166731.db2.gz LFWKKPQHSDHZTA-IAQYHMDHSA-N 2 2 340.265 1.786 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269029069 443176992 /nfs/dbraw/zinc/17/69/92/443176992.db2.gz RFEQJDSXLBKBCS-GDBMZVCRSA-N 2 2 348.472 1.947 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000266519825 443155023 /nfs/dbraw/zinc/15/50/23/443155023.db2.gz ZGOYRXCZWBNMGT-UHFFFAOYSA-N 2 2 336.399 1.568 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268959930 443159723 /nfs/dbraw/zinc/15/97/23/443159723.db2.gz XBKBPGRBFLKZJP-CRAIPNDOSA-N 2 2 349.475 1.702 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268959930 443159729 /nfs/dbraw/zinc/15/97/29/443159729.db2.gz XBKBPGRBFLKZJP-CRAIPNDOSA-N 2 2 349.475 1.702 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000269210175 443233943 /nfs/dbraw/zinc/23/39/43/443233943.db2.gz BQDFSKKDELHNED-SZMVWBNQSA-N 2 2 342.443 1.078 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000399503037 319137675 /nfs/dbraw/zinc/13/76/75/319137675.db2.gz JIUYSELRWSHROL-CRAIPNDOSA-N 2 2 333.476 1.754 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)c2ccncc2)C1 ZINC000245746651 443248261 /nfs/dbraw/zinc/24/82/61/443248261.db2.gz WWKNIRRBVKMHPR-AEFFLSMTSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)c2ccncc2)C1 ZINC000245746651 443248264 /nfs/dbraw/zinc/24/82/64/443248264.db2.gz WWKNIRRBVKMHPR-AEFFLSMTSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H](C)c2ccncc2)C1 ZINC000245746651 443248268 /nfs/dbraw/zinc/24/82/68/443248268.db2.gz WWKNIRRBVKMHPR-AEFFLSMTSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)C1 ZINC000245746651 443248271 /nfs/dbraw/zinc/24/82/71/443248271.db2.gz WWKNIRRBVKMHPR-AEFFLSMTSA-N 2 2 348.491 1.547 20 0 EDADLP O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000269252549 443252173 /nfs/dbraw/zinc/25/21/73/443252173.db2.gz ZIBJMHZGLNNBEQ-INIZCTEOSA-N 2 2 332.448 1.457 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCOC(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000266823693 443256821 /nfs/dbraw/zinc/25/68/21/443256821.db2.gz KBCRQQVMWNKCLS-INIZCTEOSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCOC(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000266823693 443256825 /nfs/dbraw/zinc/25/68/25/443256825.db2.gz KBCRQQVMWNKCLS-INIZCTEOSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+](C)Cc1ccccc1 ZINC000266823693 443256831 /nfs/dbraw/zinc/25/68/31/443256831.db2.gz KBCRQQVMWNKCLS-INIZCTEOSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+](C)Cc1ccccc1 ZINC000266823693 443256836 /nfs/dbraw/zinc/25/68/36/443256836.db2.gz KBCRQQVMWNKCLS-INIZCTEOSA-N 2 2 333.476 1.734 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413367534 319264061 /nfs/dbraw/zinc/26/40/61/319264061.db2.gz DSBHHYZHUGGTON-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413367534 319264064 /nfs/dbraw/zinc/26/40/64/319264064.db2.gz DSBHHYZHUGGTON-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP CCc1ncc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000414267624 319323508 /nfs/dbraw/zinc/32/35/08/319323508.db2.gz IVJZJRDCIUVHLS-SFHVURJKSA-N 2 2 326.444 1.548 20 0 EDADLP CCc1ncc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000414267624 319323510 /nfs/dbraw/zinc/32/35/10/319323510.db2.gz IVJZJRDCIUVHLS-SFHVURJKSA-N 2 2 326.444 1.548 20 0 EDADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000415082538 319345910 /nfs/dbraw/zinc/34/59/10/319345910.db2.gz ONOLMMAEGLSONS-GOSISDBHSA-N 3 2 333.476 1.629 20 0 EDADLP C[C@@]1(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000415087716 319346773 /nfs/dbraw/zinc/34/67/73/319346773.db2.gz WMPQLCZHAKJBMX-LJQANCHMSA-N 3 2 333.476 1.487 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000266897022 443283466 /nfs/dbraw/zinc/28/34/66/443283466.db2.gz OHXFSVSIPKABQS-IAGOWNOFSA-N 2 2 333.476 1.686 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000266897022 443283468 /nfs/dbraw/zinc/28/34/68/443283468.db2.gz OHXFSVSIPKABQS-IAGOWNOFSA-N 2 2 333.476 1.686 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266857383 443269330 /nfs/dbraw/zinc/26/93/30/443269330.db2.gz SVPAOMGTWGLRTM-SJLPKXTDSA-N 2 2 343.471 1.828 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266857383 443269336 /nfs/dbraw/zinc/26/93/36/443269336.db2.gz SVPAOMGTWGLRTM-SJLPKXTDSA-N 2 2 343.471 1.828 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000269293405 443270569 /nfs/dbraw/zinc/27/05/69/443270569.db2.gz VCJKPXNCNOLVMD-RHSMWYFYSA-N 2 2 336.455 1.436 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[N@@H+]1C1CC1 ZINC000185859658 443270738 /nfs/dbraw/zinc/27/07/38/443270738.db2.gz KENOETRUUHRPQZ-GDBMZVCRSA-N 2 2 349.500 1.941 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[N@H+]1C1CC1 ZINC000185859658 443270740 /nfs/dbraw/zinc/27/07/40/443270740.db2.gz KENOETRUUHRPQZ-GDBMZVCRSA-N 2 2 349.500 1.941 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416923726 319475801 /nfs/dbraw/zinc/47/58/01/319475801.db2.gz WLKRNTNEEIPVII-WFASDCNBSA-N 2 2 333.411 1.803 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1F ZINC000416926245 319476323 /nfs/dbraw/zinc/47/63/23/319476323.db2.gz YXTZZNUIGHAIOF-DOMZBBRYSA-N 2 2 331.395 1.781 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416947228 319482627 /nfs/dbraw/zinc/48/26/27/319482627.db2.gz GNXRJCCUJXTSLB-HNNXBMFYSA-N 2 2 327.432 1.477 20 0 EDADLP Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)nc(-c2cccnc2)[nH+]1 ZINC000264600374 443341995 /nfs/dbraw/zinc/34/19/95/443341995.db2.gz NFWMDHVCLYTLEX-OAHLLOKOSA-N 2 2 340.431 1.599 20 0 EDADLP Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)nc(-c2cccnc2)[nH+]1 ZINC000264600374 443341996 /nfs/dbraw/zinc/34/19/96/443341996.db2.gz NFWMDHVCLYTLEX-OAHLLOKOSA-N 2 2 340.431 1.599 20 0 EDADLP CO[C@](C)(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000267246358 443392268 /nfs/dbraw/zinc/39/22/68/443392268.db2.gz LQBCQIAVWDOPBU-IBGZPJMESA-N 2 2 333.476 1.690 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)n1 ZINC000267421285 443451764 /nfs/dbraw/zinc/45/17/64/443451764.db2.gz KMQVHPFEKNWZPO-ZIAGYGMSSA-N 2 2 328.420 1.518 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)n1 ZINC000267421285 443451767 /nfs/dbraw/zinc/45/17/67/443451767.db2.gz KMQVHPFEKNWZPO-ZIAGYGMSSA-N 2 2 328.420 1.518 20 0 EDADLP Cn1cc(I)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000423168493 319754640 /nfs/dbraw/zinc/75/46/40/319754640.db2.gz YCMFECAHFZJPSA-WPRPVWTQSA-N 2 2 334.205 1.242 20 0 EDADLP CO[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000267777686 443574773 /nfs/dbraw/zinc/57/47/73/443574773.db2.gz HHIOHRKEBTUQSL-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP CO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000267777686 443574779 /nfs/dbraw/zinc/57/47/79/443574779.db2.gz HHIOHRKEBTUQSL-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H]1CNC(=O)O1)CC2 ZINC000283270117 443583333 /nfs/dbraw/zinc/58/33/33/443583333.db2.gz VRBXPNDHWUQNJP-STQMWFEESA-N 2 2 336.461 1.538 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H]1CNC(=O)O1)CC2 ZINC000283270117 443583337 /nfs/dbraw/zinc/58/33/37/443583337.db2.gz VRBXPNDHWUQNJP-STQMWFEESA-N 2 2 336.461 1.538 20 0 EDADLP C[C@]1(O)CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000279875155 443633692 /nfs/dbraw/zinc/63/36/92/443633692.db2.gz CEZFFAJHKFJLAM-IBGZPJMESA-N 2 2 346.475 1.357 20 0 EDADLP C[C@]1(O)CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000279875155 443633694 /nfs/dbraw/zinc/63/36/94/443633694.db2.gz CEZFFAJHKFJLAM-IBGZPJMESA-N 2 2 346.475 1.357 20 0 EDADLP CCOC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000286066138 443639465 /nfs/dbraw/zinc/63/94/65/443639465.db2.gz JHUADYDLXXZHQR-QGZVFWFLSA-N 2 2 348.491 1.771 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000433990718 319990594 /nfs/dbraw/zinc/99/05/94/319990594.db2.gz RCTODTZPORRRMB-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC(=O)N2CCCC2)[C@@H]1c1cnn(C)c1 ZINC000434744281 320000942 /nfs/dbraw/zinc/00/09/42/320000942.db2.gz HJEMUAIYYSGDFX-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC(=O)N2CCCC2)[C@@H]1c1cnn(C)c1 ZINC000434744281 320000944 /nfs/dbraw/zinc/00/09/44/320000944.db2.gz HJEMUAIYYSGDFX-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC(=O)N2CCCC2)[C@@H]1c1cnn(C)c1 ZINC000434744281 320000946 /nfs/dbraw/zinc/00/09/46/320000946.db2.gz HJEMUAIYYSGDFX-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(=O)N2CCCC2)[C@@H]1c1cnn(C)c1 ZINC000434744281 320000948 /nfs/dbraw/zinc/00/09/48/320000948.db2.gz HJEMUAIYYSGDFX-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436048570 320018627 /nfs/dbraw/zinc/01/86/27/320018627.db2.gz FXABTCNNMYFDJS-INIZCTEOSA-N 2 2 332.448 1.253 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436048570 320018628 /nfs/dbraw/zinc/01/86/28/320018628.db2.gz FXABTCNNMYFDJS-INIZCTEOSA-N 2 2 332.448 1.253 20 0 EDADLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(-c2cccnc2)n1 ZINC000449393970 320187542 /nfs/dbraw/zinc/18/75/42/320187542.db2.gz NHVVECFPVYVAHU-QGZVFWFLSA-N 2 2 329.448 1.419 20 0 EDADLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(-c2cccnc2)n1 ZINC000449393970 320187544 /nfs/dbraw/zinc/18/75/44/320187544.db2.gz NHVVECFPVYVAHU-QGZVFWFLSA-N 2 2 329.448 1.419 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449399036 320189137 /nfs/dbraw/zinc/18/91/37/320189137.db2.gz ZOHGKOKYYJMESQ-KRWDZBQOSA-N 2 2 349.475 1.090 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449399036 320189139 /nfs/dbraw/zinc/18/91/39/320189139.db2.gz ZOHGKOKYYJMESQ-KRWDZBQOSA-N 2 2 349.475 1.090 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCCC1(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000457053034 320318580 /nfs/dbraw/zinc/31/85/80/320318580.db2.gz JOGQFUVNDJIOPW-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCCC1(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000457053034 320318581 /nfs/dbraw/zinc/31/85/81/320318581.db2.gz JOGQFUVNDJIOPW-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCC[N@@H+]1CCCC1(C)C)[NH+]1CCO[C@@H](CC)C1 ZINC000457053034 320318582 /nfs/dbraw/zinc/31/85/82/320318582.db2.gz JOGQFUVNDJIOPW-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCC[N@H+]1CCCC1(C)C)[NH+]1CCO[C@@H](CC)C1 ZINC000457053034 320318583 /nfs/dbraw/zinc/31/85/83/320318583.db2.gz JOGQFUVNDJIOPW-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)ccn1 ZINC000457316508 320325572 /nfs/dbraw/zinc/32/55/72/320325572.db2.gz PVJBDXXRLJPKGK-UHFFFAOYSA-N 2 2 349.460 1.792 20 0 EDADLP CN(C(=O)NCCOCC[NH+](C)C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000458695602 320338610 /nfs/dbraw/zinc/33/86/10/320338610.db2.gz OKGIWTCRYYZWCE-INIZCTEOSA-N 2 2 345.447 1.719 20 0 EDADLP C[NH+](C)CCOCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000471641472 320353034 /nfs/dbraw/zinc/35/30/34/320353034.db2.gz GEKJPUPSRYWIKM-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP COCCOCCOCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000276321332 443686900 /nfs/dbraw/zinc/68/69/00/443686900.db2.gz YWSZSCZKRQQNBQ-UHFFFAOYSA-N 2 2 333.432 1.984 20 0 EDADLP COCCOCCOCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000276321332 443686903 /nfs/dbraw/zinc/68/69/03/443686903.db2.gz YWSZSCZKRQQNBQ-UHFFFAOYSA-N 2 2 333.432 1.984 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2cccnc2OC)CC1 ZINC000291074669 443745133 /nfs/dbraw/zinc/74/51/33/443745133.db2.gz SPHKIVJPGGYMMO-UHFFFAOYSA-N 2 2 335.448 1.640 20 0 EDADLP CC[NH+](CC)CCN(CCOC)Cc1[nH+]ccc(OC)c1OC ZINC000276393539 443696604 /nfs/dbraw/zinc/69/66/04/443696604.db2.gz BBZKQTCGBJCMGA-UHFFFAOYSA-N 2 2 325.453 1.889 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000516865164 320442186 /nfs/dbraw/zinc/44/21/86/320442186.db2.gz RMKJUGIEZQJMKV-SJLPKXTDSA-N 2 2 333.476 1.873 20 0 EDADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(CO)o2)c2ccccc2)CC1 ZINC000525709039 320492070 /nfs/dbraw/zinc/49/20/70/320492070.db2.gz GVBYXEONSXVKKW-IBGZPJMESA-N 2 2 329.444 1.850 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000298327375 443747858 /nfs/dbraw/zinc/74/78/58/443747858.db2.gz WEFJMJSBEWFFHW-DLBZAZTESA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000298327375 443747861 /nfs/dbraw/zinc/74/78/61/443747861.db2.gz WEFJMJSBEWFFHW-DLBZAZTESA-N 2 2 331.460 1.440 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528731983 320560367 /nfs/dbraw/zinc/56/03/67/320560367.db2.gz WFVAOQUIJMNYMG-GOSISDBHSA-N 2 2 348.487 1.921 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000530684650 320635652 /nfs/dbraw/zinc/63/56/52/320635652.db2.gz AZFQWNGQCIAZNB-CABCVRRESA-N 2 2 334.468 1.110 20 0 EDADLP c1ccc(N2CC[NH+](CCC[N@@H+]3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC000285199625 443891461 /nfs/dbraw/zinc/89/14/61/443891461.db2.gz FFWYAHNDIUQROL-HXUWFJFHSA-N 2 2 345.487 1.690 20 0 EDADLP c1ccc(N2CC[NH+](CCC[N@H+]3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC000285199625 443891468 /nfs/dbraw/zinc/89/14/68/443891468.db2.gz FFWYAHNDIUQROL-HXUWFJFHSA-N 2 2 345.487 1.690 20 0 EDADLP O=C(C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000298740499 443855480 /nfs/dbraw/zinc/85/54/80/443855480.db2.gz PILXEBWUKUOVLG-OAHLLOKOSA-N 2 2 345.447 1.018 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC000293201351 443949981 /nfs/dbraw/zinc/94/99/81/443949981.db2.gz QTEFCGDGZLZELE-UHFFFAOYSA-N 2 2 339.443 1.352 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC000293201351 443949986 /nfs/dbraw/zinc/94/99/86/443949986.db2.gz QTEFCGDGZLZELE-UHFFFAOYSA-N 2 2 339.443 1.352 20 0 EDADLP COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)oc1C ZINC000293017879 443903483 /nfs/dbraw/zinc/90/34/83/443903483.db2.gz VABNKSKDMULJIB-GFCCVEGCSA-N 2 2 332.404 1.991 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCOC1 ZINC000541882524 320779006 /nfs/dbraw/zinc/77/90/06/320779006.db2.gz MSGBPHHWUQQRGT-DLBZAZTESA-N 2 2 346.475 1.525 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000293354403 443992866 /nfs/dbraw/zinc/99/28/66/443992866.db2.gz NZEDWBDIYUQISP-FUHWJXTLSA-N 2 2 333.476 1.074 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000293354403 443992870 /nfs/dbraw/zinc/99/28/70/443992870.db2.gz NZEDWBDIYUQISP-FUHWJXTLSA-N 2 2 333.476 1.074 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000299268040 444001548 /nfs/dbraw/zinc/00/15/48/444001548.db2.gz ZKCYWKSHPSHKIG-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000299268040 444001554 /nfs/dbraw/zinc/00/15/54/444001554.db2.gz ZKCYWKSHPSHKIG-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299268040 444001556 /nfs/dbraw/zinc/00/15/56/444001556.db2.gz ZKCYWKSHPSHKIG-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299268040 444001560 /nfs/dbraw/zinc/00/15/60/444001560.db2.gz ZKCYWKSHPSHKIG-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP Cc1cnn(C)c1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000285628077 444052971 /nfs/dbraw/zinc/05/29/71/444052971.db2.gz ZWOYZTBZYRFXCU-UHFFFAOYSA-N 3 2 328.464 1.425 20 0 EDADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285504568 444009621 /nfs/dbraw/zinc/00/96/21/444009621.db2.gz QHNCHVHVUXLPFM-KRWDZBQOSA-N 2 2 332.492 1.213 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289219905 444080436 /nfs/dbraw/zinc/08/04/36/444080436.db2.gz LDRJTJITBIZEDL-HXUWFJFHSA-N 2 2 343.471 1.735 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000561125574 321034138 /nfs/dbraw/zinc/03/41/38/321034138.db2.gz GPUNSBSTZBMXBN-INIZCTEOSA-N 2 2 340.431 1.399 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000562815564 321078349 /nfs/dbraw/zinc/07/83/49/321078349.db2.gz CEHHQDVVRWYGAW-RBSFLKMASA-N 2 2 334.468 1.186 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000563792702 321113968 /nfs/dbraw/zinc/11/39/68/321113968.db2.gz YJKYUDYFFDMUFW-ZACQAIPSSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000563792702 321113969 /nfs/dbraw/zinc/11/39/69/321113969.db2.gz YJKYUDYFFDMUFW-ZACQAIPSSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000563792702 321113970 /nfs/dbraw/zinc/11/39/70/321113970.db2.gz YJKYUDYFFDMUFW-ZACQAIPSSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000563792702 321113971 /nfs/dbraw/zinc/11/39/71/321113971.db2.gz YJKYUDYFFDMUFW-ZACQAIPSSA-N 2 2 338.496 1.269 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)n1C ZINC000564666862 321140693 /nfs/dbraw/zinc/14/06/93/321140693.db2.gz IXEYHWDFUQOAOE-UHFFFAOYSA-N 2 2 327.432 1.167 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cn(C)nc1C1CC1 ZINC000564684561 321141781 /nfs/dbraw/zinc/14/17/81/321141781.db2.gz MPEJEGQXCKCKJG-UHFFFAOYSA-N 2 2 348.495 1.787 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cn(C)nc1C1CC1 ZINC000564684561 321141783 /nfs/dbraw/zinc/14/17/83/321141783.db2.gz MPEJEGQXCKCKJG-UHFFFAOYSA-N 2 2 348.495 1.787 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOc2ccccc2Cl)C[C@@H](C)O1 ZINC000564854090 321151375 /nfs/dbraw/zinc/15/13/75/321151375.db2.gz LQQAEYKCEGXRLB-KFWWJZLASA-N 2 2 342.867 1.779 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000564914906 321156897 /nfs/dbraw/zinc/15/68/97/321156897.db2.gz YFLAZQXVFASBLQ-UHFFFAOYSA-N 2 2 325.376 1.280 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000565958909 321208023 /nfs/dbraw/zinc/20/80/23/321208023.db2.gz GRKHXEJETZDPLR-HIFRSBDPSA-N 2 2 332.448 1.115 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000565958909 321208025 /nfs/dbraw/zinc/20/80/25/321208025.db2.gz GRKHXEJETZDPLR-HIFRSBDPSA-N 2 2 332.448 1.115 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000566417910 321229239 /nfs/dbraw/zinc/22/92/39/321229239.db2.gz ZZOROKMIGGXTIQ-YJBOKZPZSA-N 2 2 332.448 1.462 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000566417910 321229240 /nfs/dbraw/zinc/22/92/40/321229240.db2.gz ZZOROKMIGGXTIQ-YJBOKZPZSA-N 2 2 332.448 1.462 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccc(F)cc2F)C[C@H](C)O1 ZINC000567692391 321253195 /nfs/dbraw/zinc/25/31/95/321253195.db2.gz SANHHMRWPGASJW-ZENOOKHLSA-N 2 2 328.403 1.567 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccc(F)cc2F)C[C@H](C)O1 ZINC000567692391 321253197 /nfs/dbraw/zinc/25/31/97/321253197.db2.gz SANHHMRWPGASJW-ZENOOKHLSA-N 2 2 328.403 1.567 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000567839867 321261332 /nfs/dbraw/zinc/26/13/32/321261332.db2.gz UFUBFJPGOQSKQW-INIZCTEOSA-N 2 2 333.480 1.233 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000567975755 321270230 /nfs/dbraw/zinc/27/02/30/321270230.db2.gz BAFZSOYMKPVYKW-RDJZCZTQSA-N 2 2 332.448 1.159 20 0 EDADLP CCn1[nH]c(C)nc1=NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568233112 321284118 /nfs/dbraw/zinc/28/41/18/321284118.db2.gz DTGQTIKPKUFXIL-UHFFFAOYSA-N 2 2 348.495 1.163 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000568707072 321302118 /nfs/dbraw/zinc/30/21/18/321302118.db2.gz CMYPDURXHNCNHQ-JKSUJKDBSA-N 2 2 331.464 1.988 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000568707072 321302120 /nfs/dbraw/zinc/30/21/20/321302120.db2.gz CMYPDURXHNCNHQ-JKSUJKDBSA-N 2 2 331.464 1.988 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C1CC1 ZINC000289308397 444103484 /nfs/dbraw/zinc/10/34/84/444103484.db2.gz DSYZMKVTNUGWBN-SFHVURJKSA-N 2 2 349.450 1.931 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C1CC1 ZINC000289308397 444103489 /nfs/dbraw/zinc/10/34/89/444103489.db2.gz DSYZMKVTNUGWBN-SFHVURJKSA-N 2 2 349.450 1.931 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000570138544 321338944 /nfs/dbraw/zinc/33/89/44/321338944.db2.gz CYSNEOVUMQGBMV-HZPDHXFCSA-N 2 2 349.479 1.718 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000299694429 444118361 /nfs/dbraw/zinc/11/83/61/444118361.db2.gz XJMAHIHVRYENCN-UHFFFAOYSA-N 2 2 328.416 1.787 20 0 EDADLP CC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCC(F)(F)F ZINC000571093859 321370831 /nfs/dbraw/zinc/37/08/31/321370831.db2.gz UWIRTVPUQHQLOP-GFCCVEGCSA-N 2 2 332.370 1.836 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCC(F)(F)F ZINC000571093859 321370833 /nfs/dbraw/zinc/37/08/33/321370833.db2.gz UWIRTVPUQHQLOP-GFCCVEGCSA-N 2 2 332.370 1.836 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000571340633 321383100 /nfs/dbraw/zinc/38/31/00/321383100.db2.gz IQKBRZHPJQGOIR-SJORKVTESA-N 2 2 346.475 1.440 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000571340633 321383101 /nfs/dbraw/zinc/38/31/01/321383101.db2.gz IQKBRZHPJQGOIR-SJORKVTESA-N 2 2 346.475 1.440 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000571340633 321383102 /nfs/dbraw/zinc/38/31/02/321383102.db2.gz IQKBRZHPJQGOIR-SJORKVTESA-N 2 2 346.475 1.440 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000571340633 321383103 /nfs/dbraw/zinc/38/31/03/321383103.db2.gz IQKBRZHPJQGOIR-SJORKVTESA-N 2 2 346.475 1.440 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000571739283 321398758 /nfs/dbraw/zinc/39/87/58/321398758.db2.gz SILOGXKGLSFTSI-QGZVFWFLSA-N 2 2 345.491 1.641 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000571739283 321398759 /nfs/dbraw/zinc/39/87/59/321398759.db2.gz SILOGXKGLSFTSI-QGZVFWFLSA-N 2 2 345.491 1.641 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000571893671 321406224 /nfs/dbraw/zinc/40/62/24/321406224.db2.gz WEZXTPWLOALMSU-HOTGVXAUSA-N 2 2 346.475 1.411 20 0 EDADLP C[N@H+](C[C@H](O)CN1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000289446986 444146322 /nfs/dbraw/zinc/14/63/22/444146322.db2.gz ZQHXCGPJEPEPOD-KRWDZBQOSA-N 2 2 337.895 1.913 20 0 EDADLP C[N@@H+](C[C@H](O)CN1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000289446986 444146324 /nfs/dbraw/zinc/14/63/24/444146324.db2.gz ZQHXCGPJEPEPOD-KRWDZBQOSA-N 2 2 337.895 1.913 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC000289471565 444153299 /nfs/dbraw/zinc/15/32/99/444153299.db2.gz QXSJHFRWFMHYNR-CQSZACIVSA-N 2 2 337.493 1.230 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC000289471565 444153301 /nfs/dbraw/zinc/15/33/01/444153301.db2.gz QXSJHFRWFMHYNR-CQSZACIVSA-N 2 2 337.493 1.230 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC000289471565 444153304 /nfs/dbraw/zinc/15/33/04/444153304.db2.gz QXSJHFRWFMHYNR-CQSZACIVSA-N 2 2 337.493 1.230 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC000289471565 444153307 /nfs/dbraw/zinc/15/33/07/444153307.db2.gz QXSJHFRWFMHYNR-CQSZACIVSA-N 2 2 337.493 1.230 20 0 EDADLP Cc1ccncc1CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000289502489 444160459 /nfs/dbraw/zinc/16/04/59/444160459.db2.gz DPDMFARMXCXWPF-SFHVURJKSA-N 2 2 330.476 1.561 20 0 EDADLP Cc1ccncc1CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000289502489 444160461 /nfs/dbraw/zinc/16/04/61/444160461.db2.gz DPDMFARMXCXWPF-SFHVURJKSA-N 2 2 330.476 1.561 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000574516766 321487628 /nfs/dbraw/zinc/48/76/28/321487628.db2.gz FBLGWSSJAKAHJW-AWEZNQCLSA-N 2 2 330.432 1.708 20 0 EDADLP Cc1cccc(N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)[nH+]1 ZINC000282252024 444126922 /nfs/dbraw/zinc/12/69/22/444126922.db2.gz MXIWOJYUDPHJQN-HNNXBMFYSA-N 2 2 342.447 1.662 20 0 EDADLP Cc1cccc(N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)[nH+]1 ZINC000282252024 444126925 /nfs/dbraw/zinc/12/69/25/444126925.db2.gz MXIWOJYUDPHJQN-HNNXBMFYSA-N 2 2 342.447 1.662 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CC[NH+](C[C@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000301553539 444179399 /nfs/dbraw/zinc/17/93/99/444179399.db2.gz MWNYRTXUSGPGAE-DLBZAZTESA-N 2 2 345.491 1.871 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000575982374 321538376 /nfs/dbraw/zinc/53/83/76/321538376.db2.gz VHHMVCXVMHOTJU-ZDUSSCGKSA-N 2 2 331.445 1.964 20 0 EDADLP C[C@@H]1CN(c2ccc(CNc3nc(N(C)C)cc[nH+]3)c[nH+]2)CCO1 ZINC000301695245 444185546 /nfs/dbraw/zinc/18/55/46/444185546.db2.gz PJPGOCWQPQOQFH-CYBMUJFWSA-N 2 2 328.420 1.775 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)C(F)(F)F ZINC000576954693 321610622 /nfs/dbraw/zinc/61/06/22/321610622.db2.gz OTGUESDDFZYUEN-NEPJUHHUSA-N 2 2 332.370 1.913 20 0 EDADLP CC(C)c1cc(N2CC[C@H]([NH+](C)C)C2)nc(N2CC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000302786357 444224259 /nfs/dbraw/zinc/22/42/59/444224259.db2.gz WDNVABJRFYRROU-JKSUJKDBSA-N 3 2 346.523 1.881 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000296474275 444232236 /nfs/dbraw/zinc/23/22/36/444232236.db2.gz KBVUBLOONUZBTA-INIZCTEOSA-N 2 2 345.491 1.947 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000304018863 444239865 /nfs/dbraw/zinc/23/98/65/444239865.db2.gz WYTHSFZOQVGBOY-QRVBRYPASA-N 2 2 339.524 1.266 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000304018863 444239866 /nfs/dbraw/zinc/23/98/66/444239866.db2.gz WYTHSFZOQVGBOY-QRVBRYPASA-N 2 2 339.524 1.266 20 0 EDADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000296627533 444244117 /nfs/dbraw/zinc/24/41/17/444244117.db2.gz HMSYIXMDSMTDOR-HNNXBMFYSA-N 2 2 336.867 1.460 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]([NH3+])c2cscn2)cc1 ZINC000577606714 321666744 /nfs/dbraw/zinc/66/67/44/321666744.db2.gz HXGKRHMYIKWZBE-OAHLLOKOSA-N 2 2 334.445 1.400 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000305795674 444281075 /nfs/dbraw/zinc/28/10/75/444281075.db2.gz CEMQTCBONXBEOO-BHIYHBOVSA-N 2 2 328.460 1.887 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000305795674 444281078 /nfs/dbraw/zinc/28/10/78/444281078.db2.gz CEMQTCBONXBEOO-BHIYHBOVSA-N 2 2 328.460 1.887 20 0 EDADLP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cnn1C ZINC000305849620 444283162 /nfs/dbraw/zinc/28/31/62/444283162.db2.gz 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ZINC000340466216 444388916 /nfs/dbraw/zinc/38/89/16/444388916.db2.gz QMMVOHFNFOHPOL-UHFFFAOYSA-N 2 2 339.524 1.722 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000579098143 321881982 /nfs/dbraw/zinc/88/19/82/321881982.db2.gz VYJWZSQZBAEUJM-CHWSQXEVSA-N 2 2 341.406 1.613 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)[C@H](C)C[NH2+]1 ZINC000332002097 444495413 /nfs/dbraw/zinc/49/54/13/444495413.db2.gz BXBHGZBTLSFDEB-HUUCEWRRSA-N 2 2 331.464 1.964 20 0 EDADLP Cc1cc(N2CCC([NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)CC2)nc(C)[nH+]1 ZINC000580062890 322003201 /nfs/dbraw/zinc/00/32/01/322003201.db2.gz YNDNAOKCSQYUMD-GUYCJALGSA-N 3 2 333.480 1.419 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000580172592 322018120 /nfs/dbraw/zinc/01/81/20/322018120.db2.gz IJZQOVWWMPNZPI-ZBFHGGJFSA-N 2 2 325.416 1.623 20 0 EDADLP Cc1ccc(-c2nc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)co2)cc1 ZINC000580347039 322040615 /nfs/dbraw/zinc/04/06/15/322040615.db2.gz 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CC[NH+]1CCC(CCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000341564739 444897544 /nfs/dbraw/zinc/89/75/44/444897544.db2.gz HQLRKCLMCZYZQQ-DLBZAZTESA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000341564739 444897547 /nfs/dbraw/zinc/89/75/47/444897547.db2.gz HQLRKCLMCZYZQQ-DLBZAZTESA-N 2 2 338.496 1.223 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000344319545 444897779 /nfs/dbraw/zinc/89/77/79/444897779.db2.gz BVEJTHWDMBKGOP-CHWSQXEVSA-N 2 2 336.505 1.914 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000344319545 444897780 /nfs/dbraw/zinc/89/77/80/444897780.db2.gz BVEJTHWDMBKGOP-CHWSQXEVSA-N 2 2 336.505 1.914 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000341592833 444911177 /nfs/dbraw/zinc/91/11/77/444911177.db2.gz NSBBDXJGIOLBKK-SJLPKXTDSA-N 2 2 333.476 1.434 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000341592833 444911181 /nfs/dbraw/zinc/91/11/81/444911181.db2.gz NSBBDXJGIOLBKK-SJLPKXTDSA-N 2 2 333.476 1.434 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000342935764 444952505 /nfs/dbraw/zinc/95/25/05/444952505.db2.gz MFNUYDGILPTYNX-UHFFFAOYSA-N 2 2 345.447 1.107 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000342935764 444952509 /nfs/dbraw/zinc/95/25/09/444952509.db2.gz MFNUYDGILPTYNX-UHFFFAOYSA-N 2 2 345.447 1.107 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000341695920 444953366 /nfs/dbraw/zinc/95/33/66/444953366.db2.gz KZJIKFHBFSSQQA-QWHCGFSZSA-N 2 2 327.494 1.908 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000339092363 445029428 /nfs/dbraw/zinc/02/94/28/445029428.db2.gz SPDTUNKWUVQXRC-UHFFFAOYSA-N 2 2 343.431 1.882 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CCCCC1 ZINC000343132010 445085302 /nfs/dbraw/zinc/08/53/02/445085302.db2.gz GJSOYJXRFYXEOF-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CCOCC2(C)C)CCCCC1 ZINC000343132010 445085306 /nfs/dbraw/zinc/08/53/06/445085306.db2.gz GJSOYJXRFYXEOF-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H](C(=O)NCCCNc1ccc(C)c[nH+]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339223188 445097101 /nfs/dbraw/zinc/09/71/01/445097101.db2.gz JTRIJGZGOIHURA-IAGOWNOFSA-N 2 2 348.491 2.198 20 0 EDADLP CC[C@H](C(=O)NCCCNc1ccc(C)c[nH+]1)[N@H+]1CCO[C@H](CC)C1 ZINC000339223188 445097105 /nfs/dbraw/zinc/09/71/05/445097105.db2.gz JTRIJGZGOIHURA-IAGOWNOFSA-N 2 2 348.491 2.198 20 0 EDADLP CC(C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)[NH+]1CCOCC1 ZINC000339243763 445110076 /nfs/dbraw/zinc/11/00/76/445110076.db2.gz NQZFLAAPABKWMK-KRWDZBQOSA-N 2 2 334.464 1.230 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000343354062 445208185 /nfs/dbraw/zinc/20/81/85/445208185.db2.gz UPIXDYZKQLJCOP-QZTJIDSGSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000343354062 445208187 /nfs/dbraw/zinc/20/81/87/445208187.db2.gz UPIXDYZKQLJCOP-QZTJIDSGSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000343354062 445208189 /nfs/dbraw/zinc/20/81/89/445208189.db2.gz UPIXDYZKQLJCOP-QZTJIDSGSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000343354062 445208191 /nfs/dbraw/zinc/20/81/91/445208191.db2.gz UPIXDYZKQLJCOP-QZTJIDSGSA-N 2 2 329.444 1.240 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3nnnn3C(C)(C)C)CC2)CC1 ZINC000330923267 445194970 /nfs/dbraw/zinc/19/49/70/445194970.db2.gz SLUGSOZLXKCKAC-UHFFFAOYSA-N 2 2 349.527 1.278 20 0 EDADLP CC[NH+](CC)CCC[N@@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000343337192 445203887 /nfs/dbraw/zinc/20/38/87/445203887.db2.gz BPFFGGBRONMBOL-INIZCTEOSA-N 2 2 343.512 1.303 20 0 EDADLP CC[NH+](CC)CCC[N@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000343337192 445203889 /nfs/dbraw/zinc/20/38/89/445203889.db2.gz BPFFGGBRONMBOL-INIZCTEOSA-N 2 2 343.512 1.303 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343497164 445234397 /nfs/dbraw/zinc/23/43/97/445234397.db2.gz JYQJIYZLSQYOFQ-UHFFFAOYSA-N 2 2 330.432 1.630 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000343497164 445234398 /nfs/dbraw/zinc/23/43/98/445234398.db2.gz JYQJIYZLSQYOFQ-UHFFFAOYSA-N 2 2 330.432 1.630 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000343598199 445257042 /nfs/dbraw/zinc/25/70/42/445257042.db2.gz FRBSCHFJSVFKLQ-MOPGFXCFSA-N 2 2 345.487 1.513 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000343598199 445257044 /nfs/dbraw/zinc/25/70/44/445257044.db2.gz FRBSCHFJSVFKLQ-MOPGFXCFSA-N 2 2 345.487 1.513 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@H]21 ZINC000348007346 445261338 /nfs/dbraw/zinc/26/13/38/445261338.db2.gz HVUOWOONNKWWID-RCCFBDPRSA-N 2 2 335.492 1.715 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@H]21 ZINC000348007346 445261342 /nfs/dbraw/zinc/26/13/42/445261342.db2.gz HVUOWOONNKWWID-RCCFBDPRSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]21 ZINC000348007346 445261346 /nfs/dbraw/zinc/26/13/46/445261346.db2.gz HVUOWOONNKWWID-RCCFBDPRSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@H]21 ZINC000348007346 445261349 /nfs/dbraw/zinc/26/13/49/445261349.db2.gz HVUOWOONNKWWID-RCCFBDPRSA-N 2 2 335.492 1.715 20 0 EDADLP CCOC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)C(C)C ZINC000348483112 445305173 /nfs/dbraw/zinc/30/51/73/445305173.db2.gz YNMBDMPLWZFZKH-KRWDZBQOSA-N 2 2 337.464 1.575 20 0 EDADLP Cc1ccc(CCC[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)c[nH+]1 ZINC000354630882 445321348 /nfs/dbraw/zinc/32/13/48/445321348.db2.gz DVCLBHMHZQWROU-UHFFFAOYSA-N 2 2 330.432 1.777 20 0 EDADLP C[C@H](c1cnccn1)[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348126757 445282576 /nfs/dbraw/zinc/28/25/76/445282576.db2.gz YIOGOJCRTFQPGS-QLFBSQMISA-N 2 2 332.427 1.816 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348126757 445282580 /nfs/dbraw/zinc/28/25/80/445282580.db2.gz YIOGOJCRTFQPGS-QLFBSQMISA-N 2 2 332.427 1.816 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351811024 445329931 /nfs/dbraw/zinc/32/99/31/445329931.db2.gz ONDHFRLSBXZVIT-RYRKJORJSA-N 2 2 331.460 1.204 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351811024 445329933 /nfs/dbraw/zinc/32/99/33/445329933.db2.gz ONDHFRLSBXZVIT-RYRKJORJSA-N 2 2 331.460 1.204 20 0 EDADLP C[N@H+](CCC(=O)N1CCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000348274942 445336193 /nfs/dbraw/zinc/33/61/93/445336193.db2.gz IGSRYAMCNWJYAD-UHFFFAOYSA-N 2 2 331.460 1.354 20 0 EDADLP C[N@@H+](CCC(=O)N1CCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000348274942 445336195 /nfs/dbraw/zinc/33/61/95/445336195.db2.gz IGSRYAMCNWJYAD-UHFFFAOYSA-N 2 2 331.460 1.354 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)C2=O)c1 ZINC000351862184 445346624 /nfs/dbraw/zinc/34/66/24/445346624.db2.gz OFKVFMQGPHUJNZ-DCGLDWPTSA-N 2 2 333.432 1.478 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@H]([C@H](C)[NH3+])C3)C2=O)c1 ZINC000351862184 445346627 /nfs/dbraw/zinc/34/66/27/445346627.db2.gz OFKVFMQGPHUJNZ-DCGLDWPTSA-N 2 2 333.432 1.478 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864522 445347302 /nfs/dbraw/zinc/34/73/02/445347302.db2.gz YKJKFVQWEYWLNH-WBVHZDCISA-N 3 2 346.475 1.126 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864522 445347303 /nfs/dbraw/zinc/34/73/03/445347303.db2.gz YKJKFVQWEYWLNH-WBVHZDCISA-N 2 2 346.475 1.126 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864522 445347305 /nfs/dbraw/zinc/34/73/05/445347305.db2.gz YKJKFVQWEYWLNH-WBVHZDCISA-N 2 2 346.475 1.126 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000362396641 445359763 /nfs/dbraw/zinc/35/97/63/445359763.db2.gz BKYCKCXTKBJXTM-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000362396641 445359769 /nfs/dbraw/zinc/35/97/69/445359769.db2.gz BKYCKCXTKBJXTM-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000362396641 445359773 /nfs/dbraw/zinc/35/97/73/445359773.db2.gz BKYCKCXTKBJXTM-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000362396641 445359778 /nfs/dbraw/zinc/35/97/78/445359778.db2.gz BKYCKCXTKBJXTM-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP Cc1nc(NCC[NH+]2CCC([NH+](C)C)CC2)cc(-c2ccncc2)n1 ZINC000362407706 445364411 /nfs/dbraw/zinc/36/44/11/445364411.db2.gz MDIBAWVUQMMZHX-UHFFFAOYSA-N 2 2 340.475 2.285 20 0 EDADLP CN(C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)CCn1cc[nH+]c1 ZINC000351909444 445369847 /nfs/dbraw/zinc/36/98/47/445369847.db2.gz VBSSLIQGEMBYHX-JKSUJKDBSA-N 2 2 348.426 1.078 20 0 EDADLP CN(C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)CCn1cc[nH+]c1 ZINC000351909444 445369852 /nfs/dbraw/zinc/36/98/52/445369852.db2.gz VBSSLIQGEMBYHX-JKSUJKDBSA-N 2 2 348.426 1.078 20 0 EDADLP CCc1cc(=O)[nH]c(C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)n1 ZINC000362486959 445407736 /nfs/dbraw/zinc/40/77/36/445407736.db2.gz OJEJUYADCQMJOL-UHFFFAOYSA-N 2 2 334.464 1.679 20 0 EDADLP Cc1cc(C[NH+]2C[C@H](F)C[C@@H]2CN(C)C(=O)C[N@@H+](C)C(C)C)on1 ZINC000351980387 445414761 /nfs/dbraw/zinc/41/47/61/445414761.db2.gz DNXHTPMKSCTUCS-HUUCEWRRSA-N 2 2 340.443 1.694 20 0 EDADLP Cc1cc(C[NH+]2C[C@H](F)C[C@@H]2CN(C)C(=O)C[N@H+](C)C(C)C)on1 ZINC000351980387 445414767 /nfs/dbraw/zinc/41/47/67/445414767.db2.gz DNXHTPMKSCTUCS-HUUCEWRRSA-N 2 2 340.443 1.694 20 0 EDADLP Cc1cc(C[N@H+]2C[C@H](F)C[C@@H]2CN(C)C(=O)C[NH+](C)C(C)C)on1 ZINC000351980387 445414771 /nfs/dbraw/zinc/41/47/71/445414771.db2.gz DNXHTPMKSCTUCS-HUUCEWRRSA-N 2 2 340.443 1.694 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@H](F)C[C@@H]2CN(C)C(=O)C[NH+](C)C(C)C)on1 ZINC000351980387 445414776 /nfs/dbraw/zinc/41/47/76/445414776.db2.gz DNXHTPMKSCTUCS-HUUCEWRRSA-N 2 2 340.443 1.694 20 0 EDADLP CCc1c(C)[nH+]c2ccccc2c1NCCC[N@@H+]1CCNC(=O)C1 ZINC000362656512 445481823 /nfs/dbraw/zinc/48/18/23/445481823.db2.gz LKCBPNOXJYYUQF-UHFFFAOYSA-N 2 2 326.444 1.761 20 0 EDADLP CCc1c(C)[nH+]c2ccccc2c1NCCC[N@H+]1CCNC(=O)C1 ZINC000362656512 445481826 /nfs/dbraw/zinc/48/18/26/445481826.db2.gz LKCBPNOXJYYUQF-UHFFFAOYSA-N 2 2 326.444 1.761 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000362565473 445442435 /nfs/dbraw/zinc/44/24/35/445442435.db2.gz BHIBGVVTFJIXDM-RDJZCZTQSA-N 2 2 349.479 1.206 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)CCOC1C[NH2+]C1)c1c(F)cccc1F ZINC000348992978 445469062 /nfs/dbraw/zinc/46/90/62/445469062.db2.gz PVEBIDZUPOLDFX-AWEZNQCLSA-N 2 2 327.375 1.062 20 0 EDADLP COC[C@@]1(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CCC[NH2+]1 ZINC000357254768 445509978 /nfs/dbraw/zinc/50/99/78/445509978.db2.gz DNOOFRWEHBRJHA-SFHVURJKSA-N 2 2 328.416 1.679 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000359925667 445491479 /nfs/dbraw/zinc/49/14/79/445491479.db2.gz SNBTUCHDOIATSS-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000359925667 445491484 /nfs/dbraw/zinc/49/14/84/445491484.db2.gz SNBTUCHDOIATSS-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000359925667 445491487 /nfs/dbraw/zinc/49/14/87/445491487.db2.gz SNBTUCHDOIATSS-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000359925667 445491492 /nfs/dbraw/zinc/49/14/92/445491492.db2.gz SNBTUCHDOIATSS-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP COC(=O)C[C@](C)([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000352114676 445502087 /nfs/dbraw/zinc/50/20/87/445502087.db2.gz BSLYNJUOCQKLQB-AEFFLSMTSA-N 2 2 338.423 1.649 20 0 EDADLP COC(=O)C[C@](C)([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000352114676 445502091 /nfs/dbraw/zinc/50/20/91/445502091.db2.gz BSLYNJUOCQKLQB-AEFFLSMTSA-N 2 2 338.423 1.649 20 0 EDADLP C[NH+]1CCC(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000362696277 445504773 /nfs/dbraw/zinc/50/47/73/445504773.db2.gz XGJWOGCQHSQRAH-UHFFFAOYSA-N 3 2 336.524 1.393 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000352810488 445557222 /nfs/dbraw/zinc/55/72/22/445557222.db2.gz CSHLOPXMMJXXGP-UTSKFRMZSA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000352810488 445557223 /nfs/dbraw/zinc/55/72/23/445557223.db2.gz CSHLOPXMMJXXGP-UTSKFRMZSA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCOCC1)C2 ZINC000356001619 445566701 /nfs/dbraw/zinc/56/67/01/445566701.db2.gz AWPMAHBZZJRHOJ-LSDHHAIUSA-N 2 2 348.491 1.865 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)CC[NH+]1CCOCC1)CC2 ZINC000356001619 445566706 /nfs/dbraw/zinc/56/67/06/445566706.db2.gz AWPMAHBZZJRHOJ-LSDHHAIUSA-N 2 2 348.491 1.865 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362825441 445567171 /nfs/dbraw/zinc/56/71/71/445567171.db2.gz HLYBQMROLKWWPK-XJKSGUPXSA-N 2 2 348.422 1.049 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362825441 445567176 /nfs/dbraw/zinc/56/71/76/445567176.db2.gz HLYBQMROLKWWPK-XJKSGUPXSA-N 2 2 348.422 1.049 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000362829828 445570370 /nfs/dbraw/zinc/57/03/70/445570370.db2.gz ICUCKAFPVMTZNR-CQSZACIVSA-N 2 2 346.456 1.799 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000362829828 445570372 /nfs/dbraw/zinc/57/03/72/445570372.db2.gz ICUCKAFPVMTZNR-CQSZACIVSA-N 2 2 346.456 1.799 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000360123152 445579405 /nfs/dbraw/zinc/57/94/05/445579405.db2.gz GJRLIHWVHCNCQF-FMKPAKJESA-N 2 2 337.468 1.668 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000360123152 445579407 /nfs/dbraw/zinc/57/94/07/445579407.db2.gz GJRLIHWVHCNCQF-FMKPAKJESA-N 2 2 337.468 1.668 20 0 EDADLP COCC[N@@H+]1CC[C@H](N[C@H](C)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000360036143 445539048 /nfs/dbraw/zinc/53/90/48/445539048.db2.gz LVPMMMOFRZXUBE-YZGWKJHDSA-N 2 2 347.503 1.586 20 0 EDADLP COCC[N@H+]1CC[C@H](N[C@H](C)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000360036143 445539052 /nfs/dbraw/zinc/53/90/52/445539052.db2.gz LVPMMMOFRZXUBE-YZGWKJHDSA-N 2 2 347.503 1.586 20 0 EDADLP COCC[NH+]1CC[C@H](N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000360036143 445539055 /nfs/dbraw/zinc/53/90/55/445539055.db2.gz LVPMMMOFRZXUBE-YZGWKJHDSA-N 2 2 347.503 1.586 20 0 EDADLP COCC[NH+]1CC[C@H](N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000360036143 445539059 /nfs/dbraw/zinc/53/90/59/445539059.db2.gz LVPMMMOFRZXUBE-YZGWKJHDSA-N 2 2 347.503 1.586 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000349237263 445542198 /nfs/dbraw/zinc/54/21/98/445542198.db2.gz FDLKYJNHJFWPKN-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000349237263 445542200 /nfs/dbraw/zinc/54/22/00/445542200.db2.gz FDLKYJNHJFWPKN-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000349553093 445611300 /nfs/dbraw/zinc/61/13/00/445611300.db2.gz PYSJSICJQJDRBX-NVXWUHKLSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000349553093 445611303 /nfs/dbraw/zinc/61/13/03/445611303.db2.gz PYSJSICJQJDRBX-NVXWUHKLSA-N 2 2 334.464 1.137 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000353465337 445614215 /nfs/dbraw/zinc/61/42/15/445614215.db2.gz DOIRSWXDYOESQF-FHWLQOOXSA-N 2 2 345.487 1.873 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353501254 445631223 /nfs/dbraw/zinc/63/12/23/445631223.db2.gz YTCCLVSACXOERR-BDXSIMOUSA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353501254 445631228 /nfs/dbraw/zinc/63/12/28/445631228.db2.gz YTCCLVSACXOERR-BDXSIMOUSA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353501254 445631232 /nfs/dbraw/zinc/63/12/32/445631232.db2.gz YTCCLVSACXOERR-BDXSIMOUSA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353501254 445631235 /nfs/dbraw/zinc/63/12/35/445631235.db2.gz YTCCLVSACXOERR-BDXSIMOUSA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)C[C@H]([NH2+]Cc1ncc(Cl)s1)C(=O)NCC[NH+](C)C ZINC000349657745 445637350 /nfs/dbraw/zinc/63/73/50/445637350.db2.gz XIOLADQBUOVERX-NSHDSACASA-N 2 2 332.901 1.979 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356183368 445666111 /nfs/dbraw/zinc/66/61/11/445666111.db2.gz OTIMVQUSQLUBHE-HNNXBMFYSA-N 2 2 327.831 1.951 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356183368 445666113 /nfs/dbraw/zinc/66/61/13/445666113.db2.gz OTIMVQUSQLUBHE-HNNXBMFYSA-N 2 2 327.831 1.951 20 0 EDADLP OCc1cn(CCC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000353569025 445660910 /nfs/dbraw/zinc/66/09/10/445660910.db2.gz QKQOYIHVSDINGZ-QGZVFWFLSA-N 2 2 329.448 1.415 20 0 EDADLP OCc1cn(CCC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000353569025 445660916 /nfs/dbraw/zinc/66/09/16/445660916.db2.gz QKQOYIHVSDINGZ-QGZVFWFLSA-N 2 2 329.448 1.415 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)NCCCNc2cccc[nH+]2)CCSC1 ZINC000360259561 445662736 /nfs/dbraw/zinc/66/27/36/445662736.db2.gz XJDZUMCDSBFMRQ-INIZCTEOSA-N 2 2 337.493 1.620 20 0 EDADLP COC[C@@H](C)[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000360314570 445691445 /nfs/dbraw/zinc/69/14/45/445691445.db2.gz FUSUYSCNZIIAMB-IAGOWNOFSA-N 2 2 339.524 1.972 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)Cc1cccnc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000353695532 445712539 /nfs/dbraw/zinc/71/25/39/445712539.db2.gz JEIVKLFTBOFWDI-MRXNPFEDSA-N 2 2 339.443 1.529 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000360671269 445722033 /nfs/dbraw/zinc/72/20/33/445722033.db2.gz JXLCTSMASNZDNF-DOTOQJQBSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000360671269 445722040 /nfs/dbraw/zinc/72/20/40/445722040.db2.gz JXLCTSMASNZDNF-DOTOQJQBSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000360671269 445722044 /nfs/dbraw/zinc/72/20/44/445722044.db2.gz JXLCTSMASNZDNF-DOTOQJQBSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000360671269 445722048 /nfs/dbraw/zinc/72/20/48/445722048.db2.gz JXLCTSMASNZDNF-DOTOQJQBSA-N 2 2 333.480 1.091 20 0 EDADLP C[C@H](C[NH2+][C@H](c1ccccc1)c1ccncn1)N1CC[NH+](C)CC1 ZINC000358750102 445756507 /nfs/dbraw/zinc/75/65/07/445756507.db2.gz HARYMRJOFRJPBZ-VQIMIIECSA-N 2 2 325.460 1.792 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000356377708 445760681 /nfs/dbraw/zinc/76/06/81/445760681.db2.gz SFHDNKPZXZOAOG-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000356377708 445760683 /nfs/dbraw/zinc/76/06/83/445760683.db2.gz SFHDNKPZXZOAOG-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000356377708 445760685 /nfs/dbraw/zinc/76/06/85/445760685.db2.gz SFHDNKPZXZOAOG-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000356377708 445760687 /nfs/dbraw/zinc/76/06/87/445760687.db2.gz SFHDNKPZXZOAOG-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP NC(=O)[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000361582126 445832254 /nfs/dbraw/zinc/83/22/54/445832254.db2.gz IWNHXDMYWZLWIL-JSGCOSHPSA-N 2 2 349.232 1.777 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000363422880 445797305 /nfs/dbraw/zinc/79/73/05/445797305.db2.gz JKXRXLSSKDCEAF-HYVNUMGLSA-N 2 2 342.443 1.954 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000363422880 445797309 /nfs/dbraw/zinc/79/73/09/445797309.db2.gz JKXRXLSSKDCEAF-HYVNUMGLSA-N 2 2 342.443 1.954 20 0 EDADLP CCCCN(CC)C(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519226 445799668 /nfs/dbraw/zinc/79/96/68/445799668.db2.gz MZTMYCKNBUDGNZ-UHFFFAOYSA-N 2 2 334.464 1.861 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CC[NH+](C2CC2)CC1 ZINC000361584783 445832610 /nfs/dbraw/zinc/83/26/10/445832610.db2.gz YHCFRJNJLJOQFT-UHFFFAOYSA-N 2 2 326.404 1.257 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000361523364 445802695 /nfs/dbraw/zinc/80/26/95/445802695.db2.gz FCPDLVBNPBVTGZ-UHFFFAOYSA-N 2 2 334.464 1.765 20 0 EDADLP COCC[C@@H]1COCC[NH+]1CC(C)C[N@H+]1CCOC[C@H]1CCOC ZINC000361526550 445803690 /nfs/dbraw/zinc/80/36/90/445803690.db2.gz BEVIKKYUCJUUQJ-QZTJIDSGSA-N 2 2 344.496 1.097 20 0 EDADLP CN(C(=O)N[C@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363820289 445877387 /nfs/dbraw/zinc/87/73/87/445877387.db2.gz MUJIKIYVBDRBKO-DZGCQCFKSA-N 2 2 326.510 1.302 20 0 EDADLP CN(C(=O)N[C@H]1CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363820289 445877389 /nfs/dbraw/zinc/87/73/89/445877389.db2.gz MUJIKIYVBDRBKO-DZGCQCFKSA-N 2 2 326.510 1.302 20 0 EDADLP CS[C@@H]1CN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)C[C@H]1[NH+](C)C ZINC000356526046 445841679 /nfs/dbraw/zinc/84/16/79/445841679.db2.gz ANGSWRRPKBUSTP-HZPDHXFCSA-N 2 2 332.473 1.999 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000350629315 445863959 /nfs/dbraw/zinc/86/39/59/445863959.db2.gz NCJBREWRMCZFIJ-UHFFFAOYSA-N 2 2 333.476 1.860 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC000361764803 445926054 /nfs/dbraw/zinc/92/60/54/445926054.db2.gz NLHFPLMGJMSPIB-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC000361764803 445926059 /nfs/dbraw/zinc/92/60/59/445926059.db2.gz NLHFPLMGJMSPIB-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC000361764803 445926065 /nfs/dbraw/zinc/92/60/65/445926065.db2.gz NLHFPLMGJMSPIB-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC000361764803 445926071 /nfs/dbraw/zinc/92/60/71/445926071.db2.gz NLHFPLMGJMSPIB-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000372952341 445940853 /nfs/dbraw/zinc/94/08/53/445940853.db2.gz SPUZDGKSOJHOKV-AWEZNQCLSA-N 2 2 333.436 1.360 20 0 EDADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000372952341 445940857 /nfs/dbraw/zinc/94/08/57/445940857.db2.gz SPUZDGKSOJHOKV-AWEZNQCLSA-N 2 2 333.436 1.360 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2CCC[C@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000350732672 445891840 /nfs/dbraw/zinc/89/18/40/445891840.db2.gz QWDRHVMFSADEGE-RTBURBONSA-N 2 2 343.471 1.619 20 0 EDADLP O=C(C[N@H+]1C[C@H]2CCC[C@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000350732672 445891842 /nfs/dbraw/zinc/89/18/42/445891842.db2.gz QWDRHVMFSADEGE-RTBURBONSA-N 2 2 343.471 1.619 20 0 EDADLP CCC(CC)[C@@H](C(=O)Nc1cnc2c(c1)C[NH2+]CC2)[NH+]1CCOCC1 ZINC000364134683 445896532 /nfs/dbraw/zinc/89/65/32/445896532.db2.gz FDFHECYQUJKAAR-SFHVURJKSA-N 2 2 346.475 1.803 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)NC1CC[NH+](CC2CC2)CC1 ZINC000361802078 445957856 /nfs/dbraw/zinc/95/78/56/445957856.db2.gz WWHZOOKHHQOSLJ-HNNXBMFYSA-N 2 2 331.464 1.934 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC(=O)OC(C)(C)C)C2)CC1 ZINC000373007678 445971311 /nfs/dbraw/zinc/97/13/11/445971311.db2.gz KVCNLHMPFGSFPD-CQSZACIVSA-N 2 2 339.480 1.393 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC(=O)OC(C)(C)C)C2)CC1 ZINC000373007678 445971316 /nfs/dbraw/zinc/97/13/16/445971316.db2.gz KVCNLHMPFGSFPD-CQSZACIVSA-N 2 2 339.480 1.393 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000361862945 446016026 /nfs/dbraw/zinc/01/60/26/446016026.db2.gz RXMSASFMTASQHS-INIZCTEOSA-N 2 2 334.445 1.434 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000361862945 446016032 /nfs/dbraw/zinc/01/60/32/446016032.db2.gz RXMSASFMTASQHS-INIZCTEOSA-N 2 2 334.445 1.434 20 0 EDADLP Cc1[nH+]c(CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)c2n1CCCC2 ZINC000369245911 446020298 /nfs/dbraw/zinc/02/02/98/446020298.db2.gz UPJLPXYCTZWDTM-AWEZNQCLSA-N 2 2 342.447 2.521 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)OCCO4)C2)CC1 ZINC000369273841 446037154 /nfs/dbraw/zinc/03/71/54/446037154.db2.gz KBCMQUWJRCSRHE-HNNXBMFYSA-N 2 2 345.443 1.356 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)OCCO4)C2)CC1 ZINC000369273841 446037157 /nfs/dbraw/zinc/03/71/57/446037157.db2.gz KBCMQUWJRCSRHE-HNNXBMFYSA-N 2 2 345.443 1.356 20 0 EDADLP Cc1noc(Cl)c1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273811 446037990 /nfs/dbraw/zinc/03/79/90/446037990.db2.gz JSHBCMSDUDYLKT-LBPRGKRZSA-N 2 2 340.855 1.464 20 0 EDADLP Cc1noc(Cl)c1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273811 446037995 /nfs/dbraw/zinc/03/79/95/446037995.db2.gz JSHBCMSDUDYLKT-LBPRGKRZSA-N 2 2 340.855 1.464 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cn4ccccc4n3)C2)CC1 ZINC000369272756 446038722 /nfs/dbraw/zinc/03/87/22/446038722.db2.gz CRFOVJBQTYVZQR-HNNXBMFYSA-N 2 2 341.459 1.162 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cn4ccccc4n3)C2)CC1 ZINC000369272756 446038725 /nfs/dbraw/zinc/03/87/25/446038725.db2.gz CRFOVJBQTYVZQR-HNNXBMFYSA-N 2 2 341.459 1.162 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)CC1 ZINC000369274251 446041639 /nfs/dbraw/zinc/04/16/39/446041639.db2.gz NOHSJPHYFPYESY-AWEZNQCLSA-N 2 2 331.416 1.314 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)CC1 ZINC000369274251 446041642 /nfs/dbraw/zinc/04/16/42/446041642.db2.gz NOHSJPHYFPYESY-AWEZNQCLSA-N 2 2 331.416 1.314 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)c4ccccc43)C2)CC1 ZINC000365127354 446042517 /nfs/dbraw/zinc/04/25/17/446042517.db2.gz UNFDDTKUZOTLAE-KBXCAEBGSA-N 2 2 341.455 1.641 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)c4ccccc43)C2)CC1 ZINC000365127354 446042522 /nfs/dbraw/zinc/04/25/22/446042522.db2.gz UNFDDTKUZOTLAE-KBXCAEBGSA-N 2 2 341.455 1.641 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000369233150 446009898 /nfs/dbraw/zinc/00/98/98/446009898.db2.gz YOHSZGYSOUXBLP-CVEARBPZSA-N 2 2 331.464 1.916 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000369233150 446009901 /nfs/dbraw/zinc/00/99/01/446009901.db2.gz YOHSZGYSOUXBLP-CVEARBPZSA-N 2 2 331.464 1.916 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000583152165 326014670 /nfs/dbraw/zinc/01/46/70/326014670.db2.gz RDGMJBCVNRQFPP-OAHLLOKOSA-N 2 2 341.883 1.854 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000583152165 326014672 /nfs/dbraw/zinc/01/46/72/326014672.db2.gz RDGMJBCVNRQFPP-OAHLLOKOSA-N 2 2 341.883 1.854 20 0 EDADLP [NH3+]CC1(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000583260522 326036771 /nfs/dbraw/zinc/03/67/71/326036771.db2.gz SSGRYIGPCKCSKX-UHFFFAOYSA-N 2 2 344.459 1.335 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000583271003 326039620 /nfs/dbraw/zinc/03/96/20/326039620.db2.gz KJKNRHZWZFIMNK-QGZVFWFLSA-N 2 2 337.439 1.286 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000583271003 326039623 /nfs/dbraw/zinc/03/96/23/326039623.db2.gz KJKNRHZWZFIMNK-QGZVFWFLSA-N 2 2 337.439 1.286 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000583271003 326039625 /nfs/dbraw/zinc/03/96/25/326039625.db2.gz KJKNRHZWZFIMNK-QGZVFWFLSA-N 2 2 337.439 1.286 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000583271003 326039628 /nfs/dbraw/zinc/03/96/28/326039628.db2.gz KJKNRHZWZFIMNK-QGZVFWFLSA-N 2 2 337.439 1.286 20 0 EDADLP CO[C@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000583632323 326108979 /nfs/dbraw/zinc/10/89/79/326108979.db2.gz VDCJVOYJMHXQNU-AEFFLSMTSA-N 2 2 342.443 1.439 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000583674255 326114531 /nfs/dbraw/zinc/11/45/31/326114531.db2.gz CRUOZBDLDTXXGB-CQSZACIVSA-N 2 2 331.441 1.808 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1CCOC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000354268147 446063270 /nfs/dbraw/zinc/06/32/70/446063270.db2.gz KZXDWCLUZLKHQN-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1CCOC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000354268147 446063274 /nfs/dbraw/zinc/06/32/74/446063274.db2.gz KZXDWCLUZLKHQN-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000354268147 446063281 /nfs/dbraw/zinc/06/32/81/446063281.db2.gz KZXDWCLUZLKHQN-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000354268147 446063287 /nfs/dbraw/zinc/06/32/87/446063287.db2.gz KZXDWCLUZLKHQN-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584102189 326199090 /nfs/dbraw/zinc/19/90/90/326199090.db2.gz BLABYWABEIYUAT-ZWKOTPCHSA-N 2 2 346.475 1.186 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584102189 326199094 /nfs/dbraw/zinc/19/90/94/326199094.db2.gz BLABYWABEIYUAT-ZWKOTPCHSA-N 2 2 346.475 1.186 20 0 EDADLP CCCCCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000365225676 446088144 /nfs/dbraw/zinc/08/81/44/446088144.db2.gz CPHBEZOUBKSDDY-SJORKVTESA-N 2 2 325.497 1.732 20 0 EDADLP CCCCCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000365225676 446088150 /nfs/dbraw/zinc/08/81/50/446088150.db2.gz CPHBEZOUBKSDDY-SJORKVTESA-N 2 2 325.497 1.732 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487494 446088523 /nfs/dbraw/zinc/08/85/23/446088523.db2.gz BBAWIQQPGUZRRF-GDBMZVCRSA-N 2 2 325.497 1.316 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487494 446088525 /nfs/dbraw/zinc/08/85/25/446088525.db2.gz BBAWIQQPGUZRRF-GDBMZVCRSA-N 2 2 325.497 1.316 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487494 446088526 /nfs/dbraw/zinc/08/85/26/446088526.db2.gz BBAWIQQPGUZRRF-GDBMZVCRSA-N 2 2 325.497 1.316 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487494 446088527 /nfs/dbraw/zinc/08/85/27/446088527.db2.gz BBAWIQQPGUZRRF-GDBMZVCRSA-N 2 2 325.497 1.316 20 0 EDADLP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000351474853 446074959 /nfs/dbraw/zinc/07/49/59/446074959.db2.gz HNNTXNOTOYNGOV-MDZRGWNJSA-N 3 2 339.524 1.263 20 0 EDADLP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000351474853 446074961 /nfs/dbraw/zinc/07/49/61/446074961.db2.gz HNNTXNOTOYNGOV-MDZRGWNJSA-N 3 2 339.524 1.263 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000356864937 446079851 /nfs/dbraw/zinc/07/98/51/446079851.db2.gz WYUJLXSZXRQFJK-AOIWGVFYSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000356864937 446079853 /nfs/dbraw/zinc/07/98/53/446079853.db2.gz WYUJLXSZXRQFJK-AOIWGVFYSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-n2cncn2)cc1 ZINC000366220385 446090095 /nfs/dbraw/zinc/09/00/95/446090095.db2.gz UZMXFKGNVJCWDU-WBAXXEDZSA-N 2 2 327.432 1.781 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-n2cncn2)cc1 ZINC000366220385 446090102 /nfs/dbraw/zinc/09/01/02/446090102.db2.gz UZMXFKGNVJCWDU-WBAXXEDZSA-N 2 2 327.432 1.781 20 0 EDADLP CC(C)CN(C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000369347486 446090576 /nfs/dbraw/zinc/09/05/76/446090576.db2.gz PYFDXQHKJCWSMY-SFHVURJKSA-N 2 2 336.524 1.345 20 0 EDADLP CC(C)CN(C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000369347486 446090581 /nfs/dbraw/zinc/09/05/81/446090581.db2.gz PYFDXQHKJCWSMY-SFHVURJKSA-N 2 2 336.524 1.345 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366245111 446104058 /nfs/dbraw/zinc/10/40/58/446104058.db2.gz ILSJHLJSXYVIRE-SJORKVTESA-N 2 2 349.479 1.524 20 0 EDADLP CN(Cc1cscn1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369368454 446109831 /nfs/dbraw/zinc/10/98/31/446109831.db2.gz CRDKCZYUKZEGLO-ZDUSSCGKSA-N 2 2 337.493 1.453 20 0 EDADLP CN(Cc1cscn1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369368454 446109837 /nfs/dbraw/zinc/10/98/37/446109837.db2.gz CRDKCZYUKZEGLO-ZDUSSCGKSA-N 2 2 337.493 1.453 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000365278514 446123059 /nfs/dbraw/zinc/12/30/59/446123059.db2.gz WIBNANKPOULRTL-UHFFFAOYSA-N 2 2 334.445 1.434 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)no1 ZINC000369510739 446126691 /nfs/dbraw/zinc/12/66/91/446126691.db2.gz IHVOVXLSWMOPSX-AWEZNQCLSA-N 2 2 329.404 2.201 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)no1 ZINC000369510739 446126699 /nfs/dbraw/zinc/12/66/99/446126699.db2.gz IHVOVXLSWMOPSX-AWEZNQCLSA-N 2 2 329.404 2.201 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000366283786 446126900 /nfs/dbraw/zinc/12/69/00/446126900.db2.gz PDVPJIWKDPJBDJ-JKSUJKDBSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366283786 446126905 /nfs/dbraw/zinc/12/69/05/446126905.db2.gz PDVPJIWKDPJBDJ-JKSUJKDBSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366283786 446126911 /nfs/dbraw/zinc/12/69/11/446126911.db2.gz PDVPJIWKDPJBDJ-JKSUJKDBSA-N 2 2 338.496 1.269 20 0 EDADLP c1cc(N2CCC[N@@H+](C3CCOCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000373375836 446188983 /nfs/dbraw/zinc/18/89/83/446188983.db2.gz FNENICPBEIHTJN-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP c1cc(N2CCC[N@H+](C3CCOCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000373375836 446188988 /nfs/dbraw/zinc/18/89/88/446188988.db2.gz FNENICPBEIHTJN-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359314246 446144439 /nfs/dbraw/zinc/14/44/39/446144439.db2.gz VNRHAMPNEWCLCR-HDICACEKSA-N 2 2 331.460 1.379 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359314246 446144446 /nfs/dbraw/zinc/14/44/46/446144446.db2.gz VNRHAMPNEWCLCR-HDICACEKSA-N 2 2 331.460 1.379 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc2[nH+]ccn2c1 ZINC000366443463 446216888 /nfs/dbraw/zinc/21/68/88/446216888.db2.gz UVSIYYQYADNQAU-OAGGEKHMSA-N 2 2 328.416 1.658 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000365580766 446261516 /nfs/dbraw/zinc/26/15/16/446261516.db2.gz KECSFEHYCLISAK-IAGOWNOFSA-N 2 2 326.400 1.465 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000365580766 446261518 /nfs/dbraw/zinc/26/15/18/446261518.db2.gz KECSFEHYCLISAK-IAGOWNOFSA-N 2 2 326.400 1.465 20 0 EDADLP c1cn(-c2ccc(CN3CC[NH+]([C@@H]4CCSC4)CC3)cn2)c[nH+]1 ZINC000370403537 446263547 /nfs/dbraw/zinc/26/35/47/446263547.db2.gz BGJKBKZBGMEUAE-MRXNPFEDSA-N 2 2 329.473 1.890 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373587653 446273017 /nfs/dbraw/zinc/27/30/17/446273017.db2.gz YDPBNCSJUACGPI-SJORKVTESA-N 2 2 326.444 1.735 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000370438657 446279937 /nfs/dbraw/zinc/27/99/37/446279937.db2.gz OAMPPEAKXBYGBR-KRWDZBQOSA-N 2 2 334.464 1.541 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000370438657 446279938 /nfs/dbraw/zinc/27/99/38/446279938.db2.gz OAMPPEAKXBYGBR-KRWDZBQOSA-N 2 2 334.464 1.541 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000366667205 446301214 /nfs/dbraw/zinc/30/12/14/446301214.db2.gz DXFSKEBJZPFFNB-MRXNPFEDSA-N 2 2 338.496 1.587 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000366667205 446301220 /nfs/dbraw/zinc/30/12/20/446301220.db2.gz DXFSKEBJZPFFNB-MRXNPFEDSA-N 2 2 338.496 1.587 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+]C2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C1 ZINC000373697736 446306294 /nfs/dbraw/zinc/30/62/94/446306294.db2.gz RHDCBWOZPNPCSV-IAGOWNOFSA-N 2 2 344.521 1.169 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1C ZINC000376207914 446380786 /nfs/dbraw/zinc/38/07/86/446380786.db2.gz FJXQKHGRQKNYFB-XHSDSOJGSA-N 2 2 349.479 1.511 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1C ZINC000376207914 446380788 /nfs/dbraw/zinc/38/07/88/446380788.db2.gz FJXQKHGRQKNYFB-XHSDSOJGSA-N 2 2 349.479 1.511 20 0 EDADLP CCc1nc(N(C)C2CC[NH+](CC(=O)N3CCCC3)CC2)cc(C)[nH+]1 ZINC000376229650 446391336 /nfs/dbraw/zinc/39/13/36/446391336.db2.gz NVXPMYZWFPMSDC-UHFFFAOYSA-N 2 2 345.491 1.870 20 0 EDADLP COC[C@@]1(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CCC[NH2+]1 ZINC000420247649 446430740 /nfs/dbraw/zinc/43/07/40/446430740.db2.gz HDIXNHNKLLSMEB-YOEHRIQHSA-N 2 2 335.452 1.008 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420252786 446433236 /nfs/dbraw/zinc/43/32/36/446433236.db2.gz OMOFHBFGGATGRC-BLLLJJGKSA-N 2 2 329.400 1.134 20 0 EDADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420254872 446434701 /nfs/dbraw/zinc/43/47/01/446434701.db2.gz SDKKUWMREIROCJ-CZUORRHYSA-N 2 2 343.427 1.442 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c(C)[nH+]1 ZINC000411251405 446444856 /nfs/dbraw/zinc/44/48/56/446444856.db2.gz HYXIGXUZZVBZGQ-LBPRGKRZSA-N 2 2 348.447 1.030 20 0 EDADLP Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423168490 446446074 /nfs/dbraw/zinc/44/60/74/446446074.db2.gz YCMFECAHFZJPSA-PSASIEDQSA-N 2 2 334.205 1.242 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NC[C@@H]1C[NH2+]CCO1 ZINC000420290173 446455061 /nfs/dbraw/zinc/45/50/61/446455061.db2.gz UZMAQERKLQAWBX-ZDUSSCGKSA-N 2 2 345.399 1.242 20 0 EDADLP [NH3+]CCC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000418213387 446459768 /nfs/dbraw/zinc/45/97/68/446459768.db2.gz MESUKQVIHIAPPR-QZTJIDSGSA-N 2 2 346.475 1.629 20 0 EDADLP [NH3+]CCC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000418213387 446459770 /nfs/dbraw/zinc/45/97/70/446459770.db2.gz MESUKQVIHIAPPR-QZTJIDSGSA-N 2 2 346.475 1.629 20 0 EDADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000423262394 446468999 /nfs/dbraw/zinc/46/89/99/446468999.db2.gz MIGLRJPEZTWGAR-WBMJQRKESA-N 2 2 325.478 1.892 20 0 EDADLP CCOCCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370841268 446473364 /nfs/dbraw/zinc/47/33/64/446473364.db2.gz LYWQOGFHKQSWMG-NVXWUHKLSA-N 2 2 341.496 1.055 20 0 EDADLP CCOCCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370841268 446473373 /nfs/dbraw/zinc/47/33/73/446473373.db2.gz LYWQOGFHKQSWMG-NVXWUHKLSA-N 2 2 341.496 1.055 20 0 EDADLP CC[C@]1(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370847733 446478772 /nfs/dbraw/zinc/47/87/72/446478772.db2.gz UENOIBVVGPXPRN-ICSRJNTNSA-N 2 2 345.487 1.874 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ncnn1-c1ccccc1 ZINC000420314429 446479361 /nfs/dbraw/zinc/47/93/61/446479361.db2.gz QTAJDFRBQCFPPH-MRXNPFEDSA-N 2 2 342.447 1.087 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ncnn1-c1ccccc1 ZINC000420314429 446479369 /nfs/dbraw/zinc/47/93/69/446479369.db2.gz QTAJDFRBQCFPPH-MRXNPFEDSA-N 2 2 342.447 1.087 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000420326641 446494038 /nfs/dbraw/zinc/49/40/38/446494038.db2.gz XRFYDUQFQDXLOQ-MJGOQNOKSA-N 2 2 344.459 1.643 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](Cn3cc(C)cn3)C2)cc1 ZINC000420326641 446494043 /nfs/dbraw/zinc/49/40/43/446494043.db2.gz XRFYDUQFQDXLOQ-MJGOQNOKSA-N 2 2 344.459 1.643 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000420327316 446494836 /nfs/dbraw/zinc/49/48/36/446494836.db2.gz YNFUJFABSNSQDW-NEPJUHHUSA-N 2 2 339.461 1.841 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1C ZINC000420327316 446494840 /nfs/dbraw/zinc/49/48/40/446494840.db2.gz YNFUJFABSNSQDW-NEPJUHHUSA-N 2 2 339.461 1.841 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@]2([NH+](C)C)CCCSC2)C[C@@H]1C ZINC000367059350 446494919 /nfs/dbraw/zinc/49/49/19/446494919.db2.gz DZTMEKFMEHJHOE-HLLBOEOZSA-N 2 2 343.537 1.381 20 0 EDADLP CCc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420337711 446508022 /nfs/dbraw/zinc/50/80/22/446508022.db2.gz WYPGTCFIPFRPNN-MRXNPFEDSA-N 2 2 331.460 1.875 20 0 EDADLP CCc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420337711 446508028 /nfs/dbraw/zinc/50/80/28/446508028.db2.gz WYPGTCFIPFRPNN-MRXNPFEDSA-N 2 2 331.460 1.875 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000423360290 446499945 /nfs/dbraw/zinc/49/99/45/446499945.db2.gz LEZXRFWCTSCHGI-KSSFIOAISA-N 2 2 349.500 1.644 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000420394074 446568468 /nfs/dbraw/zinc/56/84/68/446568468.db2.gz CLWFALGNDJMGAK-ZFWWWQNUSA-N 2 2 332.448 1.868 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000420394074 446568476 /nfs/dbraw/zinc/56/84/76/446568476.db2.gz CLWFALGNDJMGAK-ZFWWWQNUSA-N 2 2 332.448 1.868 20 0 EDADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420388061 446562906 /nfs/dbraw/zinc/56/29/06/446562906.db2.gz KUBXBSJPXGEHTM-ZIAGYGMSSA-N 2 2 328.416 1.611 20 0 EDADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420388061 446562907 /nfs/dbraw/zinc/56/29/07/446562907.db2.gz KUBXBSJPXGEHTM-ZIAGYGMSSA-N 2 2 328.416 1.611 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)C12CCOCC2 ZINC000375080562 446566203 /nfs/dbraw/zinc/56/62/03/446566203.db2.gz WZNHCVAWQWBMLK-VSZNYVQBSA-N 2 2 338.492 1.804 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCCC[C@@H]3CO2)C12CCOCC2 ZINC000375080562 446566208 /nfs/dbraw/zinc/56/62/08/446566208.db2.gz WZNHCVAWQWBMLK-VSZNYVQBSA-N 2 2 338.492 1.804 20 0 EDADLP COC[C@@]1(CN[C@@H](C[NH+]2CCOCC2)c2ccccc2C)CCC[NH2+]1 ZINC000423418005 446525596 /nfs/dbraw/zinc/52/55/96/446525596.db2.gz TYRYHCRUCCDYCR-PMACEKPBSA-N 2 2 347.503 1.727 20 0 EDADLP COC[C@@]1(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2C)CCC[NH2+]1 ZINC000423418005 446525600 /nfs/dbraw/zinc/52/56/00/446525600.db2.gz TYRYHCRUCCDYCR-PMACEKPBSA-N 2 2 347.503 1.727 20 0 EDADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352683 446531727 /nfs/dbraw/zinc/53/17/27/446531727.db2.gz ZOYWDIVQYZZFDL-GXTWGEPZSA-N 2 2 338.402 1.271 20 0 EDADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352683 446531733 /nfs/dbraw/zinc/53/17/33/446531733.db2.gz ZOYWDIVQYZZFDL-GXTWGEPZSA-N 2 2 338.402 1.271 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000420358436 446537843 /nfs/dbraw/zinc/53/78/43/446537843.db2.gz UIPCSZPXZNFTKA-HOTGVXAUSA-N 2 2 339.455 1.671 20 0 EDADLP C[N@H+](CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000420358436 446537851 /nfs/dbraw/zinc/53/78/51/446537851.db2.gz UIPCSZPXZNFTKA-HOTGVXAUSA-N 2 2 339.455 1.671 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000420358765 446539424 /nfs/dbraw/zinc/53/94/24/446539424.db2.gz JDIYEDWGSCQRNZ-ZDUSSCGKSA-N 2 2 329.391 1.867 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C[C@H](O)C[NH3+] ZINC000420360993 446540926 /nfs/dbraw/zinc/54/09/26/446540926.db2.gz XITGAUVRIWQTBW-SJLPKXTDSA-N 2 2 337.439 1.425 20 0 EDADLP C[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C[C@H](O)C[NH3+] ZINC000420360993 446540931 /nfs/dbraw/zinc/54/09/31/446540931.db2.gz XITGAUVRIWQTBW-SJLPKXTDSA-N 2 2 337.439 1.425 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000370959505 446541295 /nfs/dbraw/zinc/54/12/95/446541295.db2.gz MFKOGPUUIDXYJM-ILXRZTDVSA-N 2 2 331.464 1.993 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000370959505 446541301 /nfs/dbraw/zinc/54/13/01/446541301.db2.gz MFKOGPUUIDXYJM-ILXRZTDVSA-N 2 2 331.464 1.993 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])C(C)C)[NH+]2CCOCC2)cc1 ZINC000433169795 446542861 /nfs/dbraw/zinc/54/28/61/446542861.db2.gz SSBIFUDEWLOSGI-QZTJIDSGSA-N 2 2 333.476 1.715 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000453201192 446550140 /nfs/dbraw/zinc/55/01/40/446550140.db2.gz APEJZMXWYMHDMF-ZDUSSCGKSA-N 2 2 327.432 1.920 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000453201192 446550149 /nfs/dbraw/zinc/55/01/49/446550149.db2.gz APEJZMXWYMHDMF-ZDUSSCGKSA-N 2 2 327.432 1.920 20 0 EDADLP Cc1cc(N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000370976092 446553147 /nfs/dbraw/zinc/55/31/47/446553147.db2.gz KLYGVSRYGAGYEF-UHFFFAOYSA-N 2 2 343.475 1.973 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCOc1cccc(F)c1 ZINC000420381234 446556507 /nfs/dbraw/zinc/55/65/07/446556507.db2.gz CMRASTNMYMXOPK-QAPCUYQASA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCOc1cccc(F)c1 ZINC000420381234 446556518 /nfs/dbraw/zinc/55/65/18/446556518.db2.gz CMRASTNMYMXOPK-QAPCUYQASA-N 2 2 349.450 1.785 20 0 EDADLP C[C@@H]1C[C@H](C)[C@@H](C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)O1 ZINC000423565995 446578080 /nfs/dbraw/zinc/57/80/80/446578080.db2.gz BTCNWRQQCBEKEJ-HWMZRRJGSA-N 2 2 346.475 1.704 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCN1C ZINC000433466748 446578411 /nfs/dbraw/zinc/57/84/11/446578411.db2.gz NUJMMWIFGLRDEZ-DLBZAZTESA-N 2 2 345.491 1.642 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCN1C ZINC000433466748 446578419 /nfs/dbraw/zinc/57/84/19/446578419.db2.gz NUJMMWIFGLRDEZ-DLBZAZTESA-N 2 2 345.491 1.642 20 0 EDADLP Cc1cc(C(=O)C[NH+]2CCC(O)(C[NH3+])CC2)c(C)n1CC(F)(F)F ZINC000420406154 446579746 /nfs/dbraw/zinc/57/97/46/446579746.db2.gz QEMGREYFWFJWCL-UHFFFAOYSA-N 2 2 347.381 1.636 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cn1 ZINC000375099363 446580686 /nfs/dbraw/zinc/58/06/86/446580686.db2.gz HAALQOIVOVOJQJ-UHFFFAOYSA-N 2 2 336.399 1.654 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420408263 446581163 /nfs/dbraw/zinc/58/11/63/446581163.db2.gz VZMWXKNJIRGOQJ-PKOBYXMFSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420408263 446581170 /nfs/dbraw/zinc/58/11/70/446581170.db2.gz VZMWXKNJIRGOQJ-PKOBYXMFSA-N 2 2 345.487 1.954 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423574438 446582258 /nfs/dbraw/zinc/58/22/58/446582258.db2.gz ZVMNEOJLGIHFLB-ZFWWWQNUSA-N 2 2 325.478 1.730 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000371026075 446582467 /nfs/dbraw/zinc/58/24/67/446582467.db2.gz RHVASGPTMFVECF-OAHLLOKOSA-N 2 2 342.509 1.973 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000371026075 446582472 /nfs/dbraw/zinc/58/24/72/446582472.db2.gz RHVASGPTMFVECF-OAHLLOKOSA-N 2 2 342.509 1.973 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@H](C)C[NH3+])[C@H](C)C1 ZINC000418530948 446583245 /nfs/dbraw/zinc/58/32/45/446583245.db2.gz VQFMUECNQLTNQV-HUUCEWRRSA-N 2 2 334.464 1.648 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@H](C)C[NH3+])[C@H](C)C1 ZINC000418530948 446583253 /nfs/dbraw/zinc/58/32/53/446583253.db2.gz VQFMUECNQLTNQV-HUUCEWRRSA-N 2 2 334.464 1.648 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423713429 446654798 /nfs/dbraw/zinc/65/47/98/446654798.db2.gz FHCOAQPEYKRFJP-KSZLIROESA-N 2 2 335.492 1.335 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423713429 446654803 /nfs/dbraw/zinc/65/48/03/446654803.db2.gz FHCOAQPEYKRFJP-KSZLIROESA-N 2 2 335.492 1.335 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)O1 ZINC000423716055 446656757 /nfs/dbraw/zinc/65/67/57/446656757.db2.gz VTLBSDNIELBFLJ-ZBFHGGJFSA-N 2 2 337.851 1.491 20 0 EDADLP Cn1ncc2c1CCC[NH+](CCC[N@H+]1CCCc3c(cnn3C)C1)C2 ZINC000411848288 446697651 /nfs/dbraw/zinc/69/76/51/446697651.db2.gz HLFCDSCTKDYEQK-UHFFFAOYSA-N 2 2 342.491 1.740 20 0 EDADLP Cn1ncc2c1CCC[NH+](CCC[N@@H+]1CCCc3c(cnn3C)C1)C2 ZINC000411848288 446697654 /nfs/dbraw/zinc/69/76/54/446697654.db2.gz HLFCDSCTKDYEQK-UHFFFAOYSA-N 2 2 342.491 1.740 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000368207018 446708704 /nfs/dbraw/zinc/70/87/04/446708704.db2.gz VKPACRFCJWUGOL-NVXWUHKLSA-N 2 2 349.479 1.476 20 0 EDADLP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000423754510 446683441 /nfs/dbraw/zinc/68/34/41/446683441.db2.gz YSIZWYRQRVHFIF-HNNXBMFYSA-N 2 2 349.866 1.759 20 0 EDADLP CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000423754510 446683449 /nfs/dbraw/zinc/68/34/49/446683449.db2.gz YSIZWYRQRVHFIF-HNNXBMFYSA-N 2 2 349.866 1.759 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCc1ccc(F)cc1 ZINC000371289249 446747119 /nfs/dbraw/zinc/74/71/19/446747119.db2.gz JFLQCOJFZLMJOB-KURKYZTESA-N 2 2 349.450 1.625 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCc1ccc(F)cc1 ZINC000371289249 446747126 /nfs/dbraw/zinc/74/71/26/446747126.db2.gz JFLQCOJFZLMJOB-KURKYZTESA-N 2 2 349.450 1.625 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCc1cccs1 ZINC000371300121 446755203 /nfs/dbraw/zinc/75/52/03/446755203.db2.gz MZFMBYYJMNFGAO-FVQBIDKESA-N 2 2 337.489 1.548 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCc1cccs1 ZINC000371300121 446755212 /nfs/dbraw/zinc/75/52/12/446755212.db2.gz MZFMBYYJMNFGAO-FVQBIDKESA-N 2 2 337.489 1.548 20 0 EDADLP COc1cccc(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371300168 446755982 /nfs/dbraw/zinc/75/59/82/446755982.db2.gz NKWLMXGLZCZRKR-RYQLBKOJSA-N 2 2 347.459 1.817 20 0 EDADLP COc1cccc(NC(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371300168 446755988 /nfs/dbraw/zinc/75/59/88/446755988.db2.gz NKWLMXGLZCZRKR-RYQLBKOJSA-N 2 2 347.459 1.817 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423906776 446758143 /nfs/dbraw/zinc/75/81/43/446758143.db2.gz ANMOTLKOCXPXGP-RYUDHWBXSA-N 2 2 334.420 1.898 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423906776 446758149 /nfs/dbraw/zinc/75/81/49/446758149.db2.gz ANMOTLKOCXPXGP-RYUDHWBXSA-N 2 2 334.420 1.898 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)C1(C)C[NH2+]C1 ZINC000423921481 446770455 /nfs/dbraw/zinc/77/04/55/446770455.db2.gz UJDYZDAHVCFSFJ-STQMWFEESA-N 2 2 325.453 1.728 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)C1(C)C[NH2+]C1 ZINC000423921481 446770461 /nfs/dbraw/zinc/77/04/61/446770461.db2.gz UJDYZDAHVCFSFJ-STQMWFEESA-N 2 2 325.453 1.728 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000423923376 446773035 /nfs/dbraw/zinc/77/30/35/446773035.db2.gz XOBWYKOMQTVXLB-DZGCQCFKSA-N 2 2 336.505 1.939 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000423923376 446773041 /nfs/dbraw/zinc/77/30/41/446773041.db2.gz XOBWYKOMQTVXLB-DZGCQCFKSA-N 2 2 336.505 1.939 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000423925151 446775469 /nfs/dbraw/zinc/77/54/69/446775469.db2.gz FDPRFCNYHRAZGT-HZPDHXFCSA-N 2 2 346.475 1.907 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423933681 446784972 /nfs/dbraw/zinc/78/49/72/446784972.db2.gz SLLZOXUZUUIJDU-SQNIBIBYSA-N 2 2 333.476 1.748 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423933681 446784978 /nfs/dbraw/zinc/78/49/78/446784978.db2.gz SLLZOXUZUUIJDU-SQNIBIBYSA-N 2 2 333.476 1.748 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423934961 446788014 /nfs/dbraw/zinc/78/80/14/446788014.db2.gz XNLRFXXKTAGIBH-UBDQQSCGSA-N 2 2 333.476 1.890 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423934961 446788021 /nfs/dbraw/zinc/78/80/21/446788021.db2.gz XNLRFXXKTAGIBH-UBDQQSCGSA-N 2 2 333.476 1.890 20 0 EDADLP Cc1ncsc1C(=O)N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000376828900 446742242 /nfs/dbraw/zinc/74/22/42/446742242.db2.gz QRVPSNLUQKBBHS-UHFFFAOYSA-N 2 2 333.461 1.886 20 0 EDADLP Cc1ncsc1C(=O)N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000376828900 446742250 /nfs/dbraw/zinc/74/22/50/446742250.db2.gz QRVPSNLUQKBBHS-UHFFFAOYSA-N 2 2 333.461 1.886 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000423989457 446810170 /nfs/dbraw/zinc/81/01/70/446810170.db2.gz GSEKRCXMRRXZMW-VQIMIIECSA-N 2 2 339.443 1.383 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000423989457 446810175 /nfs/dbraw/zinc/81/01/75/446810175.db2.gz GSEKRCXMRRXZMW-VQIMIIECSA-N 2 2 339.443 1.383 20 0 EDADLP Cc1cccc2[nH+]cc(CN3CC[NH+](C4(C(N)=O)CCCC4)CC3)n21 ZINC000371380899 446819187 /nfs/dbraw/zinc/81/91/87/446819187.db2.gz UCZKIRWWSMHVCE-UHFFFAOYSA-N 2 2 341.459 1.558 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000420794987 446826492 /nfs/dbraw/zinc/82/64/92/446826492.db2.gz DAZLJPBHSODAJL-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000420794987 446826500 /nfs/dbraw/zinc/82/65/00/446826500.db2.gz DAZLJPBHSODAJL-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C)n1 ZINC000371467235 446876008 /nfs/dbraw/zinc/87/60/08/446876008.db2.gz XFAVJIRQRWVLDH-OAHLLOKOSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C)n1 ZINC000371467235 446876014 /nfs/dbraw/zinc/87/60/14/446876014.db2.gz XFAVJIRQRWVLDH-OAHLLOKOSA-N 2 2 330.476 1.939 20 0 EDADLP NC(=O)CC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420899143 446877390 /nfs/dbraw/zinc/87/73/90/446877390.db2.gz DWQNVIRAADXMCC-QGZVFWFLSA-N 2 2 345.487 1.996 20 0 EDADLP NC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420899143 446877395 /nfs/dbraw/zinc/87/73/95/446877395.db2.gz DWQNVIRAADXMCC-QGZVFWFLSA-N 2 2 345.487 1.996 20 0 EDADLP COC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)O1 ZINC000420912867 446886206 /nfs/dbraw/zinc/88/62/06/446886206.db2.gz ADUBTGDEZMYJFA-APWZRJJASA-N 2 2 334.460 1.755 20 0 EDADLP COC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)O1 ZINC000420912867 446886209 /nfs/dbraw/zinc/88/62/09/446886209.db2.gz ADUBTGDEZMYJFA-APWZRJJASA-N 2 2 334.460 1.755 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000420924658 446894374 /nfs/dbraw/zinc/89/43/74/446894374.db2.gz UBRDTTBIFHHMEY-IBGZPJMESA-N 2 2 332.444 1.510 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000420924658 446894378 /nfs/dbraw/zinc/89/43/78/446894378.db2.gz UBRDTTBIFHHMEY-IBGZPJMESA-N 2 2 332.444 1.510 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000420926982 446896627 /nfs/dbraw/zinc/89/66/27/446896627.db2.gz YVAJONMAKJQKEM-LJQANCHMSA-N 2 2 331.460 1.035 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000420926982 446896636 /nfs/dbraw/zinc/89/66/36/446896636.db2.gz YVAJONMAKJQKEM-LJQANCHMSA-N 2 2 331.460 1.035 20 0 EDADLP CC1(C[NH+]2CCOCC2)CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000371547120 446926381 /nfs/dbraw/zinc/92/63/81/446926381.db2.gz QWECLRCDZFFVNT-UHFFFAOYSA-N 2 2 342.443 1.909 20 0 EDADLP CC(C)CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000368550826 446939746 /nfs/dbraw/zinc/93/97/46/446939746.db2.gz HYPMENNNMKTURP-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CCCn1c(C)nnc1CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420983340 446957664 /nfs/dbraw/zinc/95/76/64/446957664.db2.gz QPIGBLFWNQCYKK-UHFFFAOYSA-N 2 2 348.539 1.989 20 0 EDADLP CCCn1c(C)nnc1CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420983340 446957670 /nfs/dbraw/zinc/95/76/70/446957670.db2.gz QPIGBLFWNQCYKK-UHFFFAOYSA-N 2 2 348.539 1.989 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000442793910 446970007 /nfs/dbraw/zinc/97/00/07/446970007.db2.gz SOPXCIYVULAENI-CHWSQXEVSA-N 2 2 337.493 1.347 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C1 ZINC000413123871 447017471 /nfs/dbraw/zinc/01/74/71/447017471.db2.gz DGIHNKQATAIDPU-ZIAGYGMSSA-N 2 2 330.436 1.870 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(NC[C@@H](C)O)nc[nH+]2)C1 ZINC000413123871 447017476 /nfs/dbraw/zinc/01/74/76/447017476.db2.gz DGIHNKQATAIDPU-ZIAGYGMSSA-N 2 2 330.436 1.870 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)[nH+]cn2)C1 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CC[NH2+]CC1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000422969749 447784179 /nfs/dbraw/zinc/78/41/79/447784179.db2.gz DPYUQCYGPZYRJP-UHFFFAOYSA-N 2 2 332.448 1.163 20 0 EDADLP COC[C@]1(CO)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451936018 447790918 /nfs/dbraw/zinc/79/09/18/447790918.db2.gz SJUZUMNZWMDYDU-WOJBJXKFSA-N 2 2 348.487 1.608 20 0 EDADLP COC[C@]1(CO)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451936018 447790921 /nfs/dbraw/zinc/79/09/21/447790921.db2.gz SJUZUMNZWMDYDU-WOJBJXKFSA-N 2 2 348.487 1.608 20 0 EDADLP COC[C@]1(CO)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936018 447790927 /nfs/dbraw/zinc/79/09/27/447790927.db2.gz SJUZUMNZWMDYDU-WOJBJXKFSA-N 2 2 348.487 1.608 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423031872 447794670 /nfs/dbraw/zinc/79/46/70/447794670.db2.gz LMWIFTYUAPHJOQ-AHRSYUTCSA-N 3 2 347.503 1.500 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423031872 447794672 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CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500410205 448087776 /nfs/dbraw/zinc/08/77/76/448087776.db2.gz KTYNGCIVSDYGCR-XYJFISCASA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000500410205 448087782 /nfs/dbraw/zinc/08/77/82/448087782.db2.gz KTYNGCIVSDYGCR-XYJFISCASA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000500410205 448087788 /nfs/dbraw/zinc/08/77/88/448087788.db2.gz KTYNGCIVSDYGCR-XYJFISCASA-N 2 2 349.523 1.990 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)CC2 ZINC000571052650 448101415 /nfs/dbraw/zinc/10/14/15/448101415.db2.gz ZRFPMUCARPKGGQ-INIZCTEOSA-N 2 2 347.507 1.286 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC(C)(C)CCN1CC[NH+](C)CC1)CC2 ZINC000571052650 448101420 /nfs/dbraw/zinc/10/14/20/448101420.db2.gz ZRFPMUCARPKGGQ-INIZCTEOSA-N 2 2 347.507 1.286 20 0 EDADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000556079728 448104190 /nfs/dbraw/zinc/10/41/90/448104190.db2.gz YYMZPEUNSPOJAQ-DYVFJYSZSA-N 2 2 337.489 1.643 20 0 EDADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000556079728 448104194 /nfs/dbraw/zinc/10/41/94/448104194.db2.gz YYMZPEUNSPOJAQ-DYVFJYSZSA-N 2 2 337.489 1.643 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000570784849 448063131 /nfs/dbraw/zinc/06/31/31/448063131.db2.gz ZBWOMJJXMLPNSH-CVEARBPZSA-N 3 2 349.479 1.091 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000570784849 448063136 /nfs/dbraw/zinc/06/31/36/448063136.db2.gz ZBWOMJJXMLPNSH-CVEARBPZSA-N 3 2 349.479 1.091 20 0 EDADLP COCC1(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000531743905 448135659 /nfs/dbraw/zinc/13/56/59/448135659.db2.gz LQOTVPDBVMHGFT-UHFFFAOYSA-N 2 2 338.496 1.415 20 0 EDADLP COCCN1CC[C@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000577098328 448211008 /nfs/dbraw/zinc/21/10/08/448211008.db2.gz ZAPKAKWRDRJAPD-IRXDYDNUSA-N 2 2 346.475 1.324 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@H](C[NH3+])C1 ZINC000514662760 448181461 /nfs/dbraw/zinc/18/14/61/448181461.db2.gz AZTAXJOLEOMBOF-JHJVBQTASA-N 2 2 336.402 1.639 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000497096405 448196288 /nfs/dbraw/zinc/19/62/88/448196288.db2.gz PTQZCLQGYTZKBE-KFWWJZLASA-N 2 2 326.485 1.077 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000497096405 448196293 /nfs/dbraw/zinc/19/62/93/448196293.db2.gz PTQZCLQGYTZKBE-KFWWJZLASA-N 2 2 326.485 1.077 20 0 EDADLP C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)C(C)(C)C[NH+](C)C ZINC000532093100 448200452 /nfs/dbraw/zinc/20/04/52/448200452.db2.gz HIGKTCFYYMORQS-CYBMUJFWSA-N 2 2 331.464 1.266 20 0 EDADLP C[NH+]1CCN([C@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c2ccccc2)CC1 ZINC000577061535 448202083 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1.870 20 0 EDADLP CCOC(=O)[C@@H](CC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591069083 448252233 /nfs/dbraw/zinc/25/22/33/448252233.db2.gz QHVDAVSIIDZOJY-HOTGVXAUSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H](CC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591069083 448252235 /nfs/dbraw/zinc/25/22/35/448252235.db2.gz QHVDAVSIIDZOJY-HOTGVXAUSA-N 2 2 339.480 1.203 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527577483 448308039 /nfs/dbraw/zinc/30/80/39/448308039.db2.gz IUDUIQLCTABIGD-INIZCTEOSA-N 2 2 337.464 1.403 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527577483 448308044 /nfs/dbraw/zinc/30/80/44/448308044.db2.gz IUDUIQLCTABIGD-INIZCTEOSA-N 2 2 337.464 1.403 20 0 EDADLP CC1(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000572092806 448281648 /nfs/dbraw/zinc/28/16/48/448281648.db2.gz AASMQPXOKGRNPL-OAHLLOKOSA-N 2 2 331.464 1.672 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000572132660 448298675 /nfs/dbraw/zinc/29/86/75/448298675.db2.gz KUBGZNWSCGIZES-NSHDSACASA-N 2 2 329.404 1.388 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000572132660 448298678 /nfs/dbraw/zinc/29/86/78/448298678.db2.gz KUBGZNWSCGIZES-NSHDSACASA-N 2 2 329.404 1.388 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)CC2 ZINC000572374315 448361692 /nfs/dbraw/zinc/36/16/92/448361692.db2.gz DMKGBRVLUJXVBO-CJNGLKHVSA-N 2 2 347.459 1.400 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)CC2 ZINC000572374315 448361699 /nfs/dbraw/zinc/36/16/99/448361699.db2.gz DMKGBRVLUJXVBO-CJNGLKHVSA-N 2 2 347.459 1.400 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)[C@@H](C[NH3+])C1 ZINC000572374186 448361761 /nfs/dbraw/zinc/36/17/61/448361761.db2.gz IXESKSIDEGJVSD-JTQLQIEISA-N 2 2 328.319 1.115 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)[C@@H](C[NH3+])C1 ZINC000572374186 448361764 /nfs/dbraw/zinc/36/17/64/448361764.db2.gz IXESKSIDEGJVSD-JTQLQIEISA-N 2 2 328.319 1.115 20 0 EDADLP COC[C@]1([NH2+]Cc2c[nH+]c(N(C)C)n2C)COc2ccccc2C1 ZINC000527801675 448363748 /nfs/dbraw/zinc/36/37/48/448363748.db2.gz VJHSAJCBYNMKDT-SFHVURJKSA-N 2 2 330.432 1.596 20 0 EDADLP C[N@H+](CC[C@H]1CCNC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000582763584 448330954 /nfs/dbraw/zinc/33/09/54/448330954.db2.gz JQERFQBORXKGRY-MRXNPFEDSA-N 2 2 330.476 1.547 20 0 EDADLP C[N@@H+](CC[C@H]1CCNC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000582763584 448330960 /nfs/dbraw/zinc/33/09/60/448330960.db2.gz JQERFQBORXKGRY-MRXNPFEDSA-N 2 2 330.476 1.547 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000533313161 448385251 /nfs/dbraw/zinc/38/52/51/448385251.db2.gz OKXRHZXIISNNKN-HNNXBMFYSA-N 2 2 342.447 1.760 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000533313161 448385254 /nfs/dbraw/zinc/38/52/54/448385254.db2.gz OKXRHZXIISNNKN-HNNXBMFYSA-N 2 2 342.447 1.760 20 0 EDADLP OCCN1CC[NH+](CCCCNc2[nH+]ccc3ccccc32)CC1 ZINC000527895288 448385914 /nfs/dbraw/zinc/38/59/14/448385914.db2.gz JVTIGMBATSWWEK-UHFFFAOYSA-N 2 2 328.460 2.037 20 0 EDADLP OCC[NH+]1CCN(CCCCNc2[nH+]ccc3ccccc32)CC1 ZINC000527895288 448385917 /nfs/dbraw/zinc/38/59/17/448385917.db2.gz JVTIGMBATSWWEK-UHFFFAOYSA-N 2 2 328.460 2.037 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NC2CC[NH2+]CC2)[NH+]2CCOCC2)c1 ZINC000582953531 448387659 /nfs/dbraw/zinc/38/76/59/448387659.db2.gz KEDQVFMPVIUFDH-GOSISDBHSA-N 2 2 346.475 1.420 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000566171857 448404055 /nfs/dbraw/zinc/40/40/55/448404055.db2.gz VPULYDZMICVSNN-QAPCUYQASA-N 2 2 331.460 1.728 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000577856446 448404720 /nfs/dbraw/zinc/40/47/20/448404720.db2.gz HTIGMQGUVVVZPE-DGCLKSJQSA-N 2 2 333.354 1.879 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1C[NH2+]C1 ZINC000572593319 448416807 /nfs/dbraw/zinc/41/68/07/448416807.db2.gz GZGOAUFKWZISHP-YGRLFVJLSA-N 2 2 343.349 1.888 20 0 EDADLP Cn1cc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cn1 ZINC000533210975 448374535 /nfs/dbraw/zinc/37/45/35/448374535.db2.gz LPDWEXDZKXFSNJ-UHFFFAOYSA-N 2 2 340.431 1.783 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000572751753 448456873 /nfs/dbraw/zinc/45/68/73/448456873.db2.gz STIGETKARDKSRI-CVEARBPZSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000572751753 448456878 /nfs/dbraw/zinc/45/68/78/448456878.db2.gz STIGETKARDKSRI-CVEARBPZSA-N 2 2 337.851 1.490 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)on3)CC2)CC1 ZINC000583805658 448462989 /nfs/dbraw/zinc/46/29/89/448462989.db2.gz QVAKSGNDOHDVEN-UHFFFAOYSA-N 2 2 335.452 2.007 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)on3)CC2)CC1 ZINC000583805658 448462992 /nfs/dbraw/zinc/46/29/92/448462992.db2.gz QVAKSGNDOHDVEN-UHFFFAOYSA-N 2 2 335.452 2.007 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+][C@@H](CC)C[NH+]2CCCC2)CC1 ZINC000591742696 448478768 /nfs/dbraw/zinc/47/87/68/448478768.db2.gz AFRAKCQDGLIJES-PQUAAJSLSA-N 2 2 326.481 1.935 20 0 EDADLP C[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000572899497 448493547 /nfs/dbraw/zinc/49/35/47/448493547.db2.gz AASDGHMBOPYSSL-ZDUSSCGKSA-N 2 2 349.866 1.630 20 0 EDADLP C[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000572899497 448493551 /nfs/dbraw/zinc/49/35/51/448493551.db2.gz AASDGHMBOPYSSL-ZDUSSCGKSA-N 2 2 349.866 1.630 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572855361 448482269 /nfs/dbraw/zinc/48/22/69/448482269.db2.gz NWPXTGGAQIGMSM-BPQIPLTHSA-N 2 2 346.475 1.185 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572855361 448482277 /nfs/dbraw/zinc/48/22/77/448482277.db2.gz NWPXTGGAQIGMSM-BPQIPLTHSA-N 2 2 346.475 1.185 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cnn(C)c1 ZINC000535230712 448490599 /nfs/dbraw/zinc/49/05/99/448490599.db2.gz MBMOHHHEFDJMPX-NAZJXLNTSA-N 2 2 345.491 1.293 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cnn(C)c1 ZINC000535230712 448490605 /nfs/dbraw/zinc/49/06/05/448490605.db2.gz MBMOHHHEFDJMPX-NAZJXLNTSA-N 2 2 345.491 1.293 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578272786 448501951 /nfs/dbraw/zinc/50/19/51/448501951.db2.gz SARGKYGTGFTNFS-UKRRQHHQSA-N 2 2 341.415 1.358 20 0 EDADLP CN1CC[N@H+](CCCNC(=O)Cn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000578270419 448502247 /nfs/dbraw/zinc/50/22/47/448502247.db2.gz DKWWZYXBRGSIKH-GOSISDBHSA-N 2 2 341.459 1.378 20 0 EDADLP CN1CC[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000578270419 448502253 /nfs/dbraw/zinc/50/22/53/448502253.db2.gz DKWWZYXBRGSIKH-GOSISDBHSA-N 2 2 341.459 1.378 20 0 EDADLP C[N@@H+]1CCN(CCCNC(=O)Cn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000578270419 448502254 /nfs/dbraw/zinc/50/22/54/448502254.db2.gz DKWWZYXBRGSIKH-GOSISDBHSA-N 2 2 341.459 1.378 20 0 EDADLP C[N@H+]1CCN(CCCNC(=O)Cn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000578270419 448502259 /nfs/dbraw/zinc/50/22/59/448502259.db2.gz DKWWZYXBRGSIKH-GOSISDBHSA-N 2 2 341.459 1.378 20 0 EDADLP C[NH+]1CCN([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccs2)CC1 ZINC000572989782 448516456 /nfs/dbraw/zinc/51/64/56/448516456.db2.gz KXIFRCVKMGDNSV-FCLJQHQZSA-N 3 2 334.533 1.909 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCCC[NH2+]C1 ZINC000573074057 448535306 /nfs/dbraw/zinc/53/53/06/448535306.db2.gz RJBNUVMFQFSJQD-QGZVFWFLSA-N 2 2 327.432 1.873 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000573087967 448539948 /nfs/dbraw/zinc/53/99/48/448539948.db2.gz BWVWJGXELAFHHV-JTQLQIEISA-N 2 2 334.317 1.951 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000573087967 448539955 /nfs/dbraw/zinc/53/99/55/448539955.db2.gz BWVWJGXELAFHHV-JTQLQIEISA-N 2 2 334.317 1.951 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000578460207 448553037 /nfs/dbraw/zinc/55/30/37/448553037.db2.gz YPPKPUBYKPBLBE-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000578460207 448553041 /nfs/dbraw/zinc/55/30/41/448553041.db2.gz YPPKPUBYKPBLBE-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP COc1cc(Cl)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1C ZINC000573427951 448622997 /nfs/dbraw/zinc/62/29/97/448622997.db2.gz QIGIINNKBWSYEA-LLVKDONJSA-N 2 2 326.828 1.764 20 0 EDADLP COc1cc(Cl)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1C ZINC000573427951 448623003 /nfs/dbraw/zinc/62/30/03/448623003.db2.gz QIGIINNKBWSYEA-LLVKDONJSA-N 2 2 326.828 1.764 20 0 EDADLP C[C@H]([NH2+][C@H]1CCOC1(C)C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000573535948 448649395 /nfs/dbraw/zinc/64/93/95/448649395.db2.gz ZCCQTZIXJHRABV-GJZGRUSLSA-N 2 2 332.448 1.276 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000518758260 448705104 /nfs/dbraw/zinc/70/51/04/448705104.db2.gz WGFOWHIJDWQWFK-CVAIRZPRSA-N 2 2 348.487 1.688 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000518758260 448705107 /nfs/dbraw/zinc/70/51/07/448705107.db2.gz WGFOWHIJDWQWFK-CVAIRZPRSA-N 2 2 348.487 1.688 20 0 EDADLP CCC[C@H](OCC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000528905072 448707746 /nfs/dbraw/zinc/70/77/46/448707746.db2.gz IXAKRCHIJYDMRC-WFFDWFOESA-N 2 2 337.508 1.961 20 0 EDADLP CCC[C@H](OCC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000528905072 448707752 /nfs/dbraw/zinc/70/77/52/448707752.db2.gz IXAKRCHIJYDMRC-WFFDWFOESA-N 2 2 337.508 1.961 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528790978 448679337 /nfs/dbraw/zinc/67/93/37/448679337.db2.gz PBMIAUBWROZBKN-MRXNPFEDSA-N 2 2 347.463 1.308 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528790978 448679343 /nfs/dbraw/zinc/67/93/43/448679343.db2.gz PBMIAUBWROZBKN-MRXNPFEDSA-N 2 2 347.463 1.308 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)CC(F)(F)C[NH3+])c[nH+]2)CC1 ZINC000519614444 448801022 /nfs/dbraw/zinc/80/10/22/448801022.db2.gz XBIXPNBMJOGUMM-UHFFFAOYSA-N 2 2 326.391 1.918 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471184 448852082 /nfs/dbraw/zinc/85/20/82/448852082.db2.gz HIBRHZMMHKCSJX-UHFFFAOYSA-N 2 2 337.445 1.690 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471184 448852084 /nfs/dbraw/zinc/85/20/84/448852084.db2.gz HIBRHZMMHKCSJX-UHFFFAOYSA-N 2 2 337.445 1.690 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000592478695 448854451 /nfs/dbraw/zinc/85/44/51/448854451.db2.gz IGGOQSURUMBHDN-DOTOQJQBSA-N 2 2 345.443 1.876 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000592478695 448854455 /nfs/dbraw/zinc/85/44/55/448854455.db2.gz IGGOQSURUMBHDN-DOTOQJQBSA-N 2 2 345.443 1.876 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000588101632 448871966 /nfs/dbraw/zinc/87/19/66/448871966.db2.gz OXZQCIVLGYOHPH-CQSZACIVSA-N 2 2 326.404 1.363 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000547363079 448873906 /nfs/dbraw/zinc/87/39/06/448873906.db2.gz JJPFBOMXDKEBHO-MRXNPFEDSA-N 2 2 344.463 1.787 20 0 EDADLP CSc1ccc(NC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000574463083 448879906 /nfs/dbraw/zinc/87/99/06/448879906.db2.gz OSZUTSQDXCJHRY-UHFFFAOYSA-N 2 2 331.445 1.892 20 0 EDADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000579814956 448882775 /nfs/dbraw/zinc/88/27/75/448882775.db2.gz OWOFAEZNGKOMEZ-AAEUAGOBSA-N 2 2 326.391 1.353 20 0 EDADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000579814956 448882778 /nfs/dbraw/zinc/88/27/78/448882778.db2.gz OWOFAEZNGKOMEZ-AAEUAGOBSA-N 2 2 326.391 1.353 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000592489672 448859381 /nfs/dbraw/zinc/85/93/81/448859381.db2.gz ZKFGTQGWKLQBSD-DOMZBBRYSA-N 2 2 334.420 1.403 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000592489672 448859386 /nfs/dbraw/zinc/85/93/86/448859386.db2.gz ZKFGTQGWKLQBSD-DOMZBBRYSA-N 2 2 334.420 1.403 20 0 EDADLP O[C@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)Cn1cccn1 ZINC000574392842 448862814 /nfs/dbraw/zinc/86/28/14/448862814.db2.gz INGFMRBLEGPXRM-LJQANCHMSA-N 2 2 343.475 1.046 20 0 EDADLP C[N@H+](C[C@H](O)CNCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000568621455 448896714 /nfs/dbraw/zinc/89/67/14/448896714.db2.gz OJGKLEPFNNUNTN-GOSISDBHSA-N 2 2 328.460 1.671 20 0 EDADLP C[N@@H+](C[C@H](O)CNCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000568621455 448896720 /nfs/dbraw/zinc/89/67/20/448896720.db2.gz OJGKLEPFNNUNTN-GOSISDBHSA-N 2 2 328.460 1.671 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCc2c[nH]c3ccc(F)cc23)[C@@H](C[NH3+])C1 ZINC000574548747 448900622 /nfs/dbraw/zinc/90/06/22/448900622.db2.gz COPLONOLGJMIBZ-HNNXBMFYSA-N 2 2 347.438 1.524 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCc2c[nH]c3ccc(F)cc23)[C@@H](C[NH3+])C1 ZINC000574548747 448900630 /nfs/dbraw/zinc/90/06/30/448900630.db2.gz COPLONOLGJMIBZ-HNNXBMFYSA-N 2 2 347.438 1.524 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000588641682 448905728 /nfs/dbraw/zinc/90/57/28/448905728.db2.gz LPLYLIMYSAYDDH-UHFFFAOYSA-N 2 2 330.432 1.366 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000588641682 448905731 /nfs/dbraw/zinc/90/57/31/448905731.db2.gz LPLYLIMYSAYDDH-UHFFFAOYSA-N 2 2 330.432 1.366 20 0 EDADLP COC(=O)C(C)(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000568728205 448909252 /nfs/dbraw/zinc/90/92/52/448909252.db2.gz FJIUJHFXXDYPOT-HNNXBMFYSA-N 2 2 348.447 1.244 20 0 EDADLP COC(=O)C(C)(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000568728205 448909260 /nfs/dbraw/zinc/90/92/60/448909260.db2.gz FJIUJHFXXDYPOT-HNNXBMFYSA-N 2 2 348.447 1.244 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C[C@H]1n1cc[nH+]c1 ZINC000568738615 448913456 /nfs/dbraw/zinc/91/34/56/448913456.db2.gz CNYSESLXNDUCDC-UPJWGTAASA-N 2 2 327.379 1.473 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CC3CC[NH+](C)CC3)nc[nH+]2)C1 ZINC000574660461 448928295 /nfs/dbraw/zinc/92/82/95/448928295.db2.gz FITCVWNPOJWOFM-GDBMZVCRSA-N 2 2 333.480 1.462 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CC3CC[NH+](C)CC3)[nH+]cn2)C1 ZINC000574660461 448928302 /nfs/dbraw/zinc/92/83/02/448928302.db2.gz FITCVWNPOJWOFM-GDBMZVCRSA-N 2 2 333.480 1.462 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(-c3nncs3)cc2)[C@H](C[NH3+])C1 ZINC000574502206 448886804 /nfs/dbraw/zinc/88/68/04/448886804.db2.gz OTGUNZLYQRLBNY-CYBMUJFWSA-N 2 2 332.433 1.312 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(-c3nncs3)cc2)[C@H](C[NH3+])C1 ZINC000574502206 448886809 /nfs/dbraw/zinc/88/68/09/448886809.db2.gz OTGUNZLYQRLBNY-CYBMUJFWSA-N 2 2 332.433 1.312 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000520834721 448936504 /nfs/dbraw/zinc/93/65/04/448936504.db2.gz LHJQWJYRVRDASE-KRWDZBQOSA-N 2 2 336.476 1.560 20 0 EDADLP C[C@@H]1CC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@H](n2cncn2)C1 ZINC000568618351 448895184 /nfs/dbraw/zinc/89/51/84/448895184.db2.gz HIBWJUVLNTVFFD-DJIMGWMZSA-N 2 2 341.463 1.925 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000569211733 448978932 /nfs/dbraw/zinc/97/89/32/448978932.db2.gz BTAVJMPKTPJOMD-SJORKVTESA-N 3 2 345.491 1.241 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000569211733 448978938 /nfs/dbraw/zinc/97/89/38/448978938.db2.gz BTAVJMPKTPJOMD-SJORKVTESA-N 2 2 345.491 1.241 20 0 EDADLP COc1cccnc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000548080125 448979405 /nfs/dbraw/zinc/97/94/05/448979405.db2.gz XCFXBEHNRZYQMP-UHFFFAOYSA-N 2 2 347.463 1.770 20 0 EDADLP CNc1nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH+]c2ccccc21 ZINC000575002770 449011328 /nfs/dbraw/zinc/01/13/28/449011328.db2.gz WRNRKHJWWXMCPA-OAHLLOKOSA-N 2 2 341.459 2.363 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)CCN2C1=O ZINC000569379561 449017625 /nfs/dbraw/zinc/01/76/25/449017625.db2.gz HZFJMVXGKJELJD-BBRMVZONSA-N 2 2 332.423 1.170 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)CCN2C1=O ZINC000569379561 449017631 /nfs/dbraw/zinc/01/76/31/449017631.db2.gz HZFJMVXGKJELJD-BBRMVZONSA-N 2 2 332.423 1.170 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000575044067 449020544 /nfs/dbraw/zinc/02/05/44/449020544.db2.gz FBIRONPTBHVFCW-GFCCVEGCSA-N 2 2 332.231 1.474 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000575044067 449020550 /nfs/dbraw/zinc/02/05/50/449020550.db2.gz FBIRONPTBHVFCW-GFCCVEGCSA-N 2 2 332.231 1.474 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)C[N@@H+]1CCc2ccccc2C1 ZINC000569456948 449029032 /nfs/dbraw/zinc/02/90/32/449029032.db2.gz OJDNMQGOURLVTO-LSDHHAIUSA-N 2 2 332.366 1.309 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)C[N@H+]1CCc2ccccc2C1 ZINC000569456948 449029036 /nfs/dbraw/zinc/02/90/36/449029036.db2.gz OJDNMQGOURLVTO-LSDHHAIUSA-N 2 2 332.366 1.309 20 0 EDADLP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC)s1 ZINC000575076006 449031084 /nfs/dbraw/zinc/03/10/84/449031084.db2.gz VYUIUSLWYINXOS-UONOGXRCSA-N 2 2 329.510 1.946 20 0 EDADLP CCc1nc(C)c([C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CCOC)s1 ZINC000575076006 449031091 /nfs/dbraw/zinc/03/10/91/449031091.db2.gz VYUIUSLWYINXOS-UONOGXRCSA-N 2 2 329.510 1.946 20 0 EDADLP CCc1nc(C)c([C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOC)s1 ZINC000575076006 449031098 /nfs/dbraw/zinc/03/10/98/449031098.db2.gz VYUIUSLWYINXOS-UONOGXRCSA-N 2 2 329.510 1.946 20 0 EDADLP C[N@@H+]1CCO[C@H]([C@H](NC[C@@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000530222072 449085833 /nfs/dbraw/zinc/08/58/33/449085833.db2.gz FWHJMWMKVAFYLR-IXDOHACOSA-N 2 2 339.867 1.290 20 0 EDADLP C[N@H+]1CCO[C@H]([C@H](NC[C@@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000530222072 449085836 /nfs/dbraw/zinc/08/58/36/449085836.db2.gz FWHJMWMKVAFYLR-IXDOHACOSA-N 2 2 339.867 1.290 20 0 EDADLP C[C@@H](C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)CS(C)(=O)=O ZINC000548664597 449075726 /nfs/dbraw/zinc/07/57/26/449075726.db2.gz PQFDFCPHGWJNKF-UONOGXRCSA-N 2 2 325.478 1.689 20 0 EDADLP C[C@@H](C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)CS(C)(=O)=O ZINC000548664597 449075729 /nfs/dbraw/zinc/07/57/29/449075729.db2.gz PQFDFCPHGWJNKF-UONOGXRCSA-N 2 2 325.478 1.689 20 0 EDADLP COC(=O)c1cc(Cl)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000575350315 449082295 /nfs/dbraw/zinc/08/22/95/449082295.db2.gz UUCMWGTUQNOTSA-LLVKDONJSA-N 2 2 340.811 1.233 20 0 EDADLP COC(=O)c1cc(Cl)ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000575350315 449082300 /nfs/dbraw/zinc/08/23/00/449082300.db2.gz UUCMWGTUQNOTSA-LLVKDONJSA-N 2 2 340.811 1.233 20 0 EDADLP C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000548424465 449040722 /nfs/dbraw/zinc/04/07/22/449040722.db2.gz LBBZJOAMZITTMK-HZPDHXFCSA-N 2 2 343.471 1.748 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215261 449084603 /nfs/dbraw/zinc/08/46/03/449084603.db2.gz GCKARHPIDUODTL-WCQYABFASA-N 2 2 340.265 1.874 20 0 EDADLP Cc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000575177019 449054435 /nfs/dbraw/zinc/05/44/35/449054435.db2.gz OESWEZZHBBIDHW-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP Cc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000575177019 449054439 /nfs/dbraw/zinc/05/44/39/449054439.db2.gz OESWEZZHBBIDHW-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP C[C@@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000522230699 449065549 /nfs/dbraw/zinc/06/55/49/449065549.db2.gz ZNXFBDQURAUALQ-HOTGVXAUSA-N 2 2 348.495 1.500 20 0 EDADLP C[C@@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000522230699 449065552 /nfs/dbraw/zinc/06/55/52/449065552.db2.gz ZNXFBDQURAUALQ-HOTGVXAUSA-N 2 2 348.495 1.500 20 0 EDADLP C[C@H](c1ccccn1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207684 449192521 /nfs/dbraw/zinc/19/25/21/449192521.db2.gz ADBQOKCLHTXCEE-CVEARBPZSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](c1ccccn1)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207684 449192526 /nfs/dbraw/zinc/19/25/26/449192526.db2.gz ADBQOKCLHTXCEE-CVEARBPZSA-N 2 2 345.491 1.953 20 0 EDADLP CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1Cl ZINC000593903625 449274344 /nfs/dbraw/zinc/27/43/44/449274344.db2.gz IJCGJJUAVIYXCC-CYBMUJFWSA-N 2 2 327.812 1.734 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCO1 ZINC000590867516 449326245 /nfs/dbraw/zinc/32/62/45/449326245.db2.gz IUJQJCDITSCGFC-OAHLLOKOSA-N 2 2 335.452 1.340 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCO1 ZINC000590867516 449326253 /nfs/dbraw/zinc/32/62/53/449326253.db2.gz IUJQJCDITSCGFC-OAHLLOKOSA-N 2 2 335.452 1.340 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1(C)C ZINC000595986932 449297977 /nfs/dbraw/zinc/29/79/77/449297977.db2.gz RSUYXUDCOFXXJJ-DOMZBBRYSA-N 2 2 342.447 1.676 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)C[C@@H]1C ZINC000602131463 449369565 /nfs/dbraw/zinc/36/95/65/449369565.db2.gz TYAXMAPPBZBJFT-AWEZNQCLSA-N 2 2 344.415 1.352 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)C[C@@H]1C ZINC000602131463 449369568 /nfs/dbraw/zinc/36/95/68/449369568.db2.gz TYAXMAPPBZBJFT-AWEZNQCLSA-N 2 2 344.415 1.352 20 0 EDADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611740251 449403153 /nfs/dbraw/zinc/40/31/53/449403153.db2.gz LGOQBIDZENLNPY-OAHLLOKOSA-N 2 2 346.475 1.618 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611740251 449403160 /nfs/dbraw/zinc/40/31/60/449403160.db2.gz LGOQBIDZENLNPY-OAHLLOKOSA-N 2 2 346.475 1.618 20 0 EDADLP CN(CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000602199804 449427742 /nfs/dbraw/zinc/42/77/42/449427742.db2.gz IMOWULSYIBXFFR-MRXNPFEDSA-N 2 2 330.476 1.408 20 0 EDADLP CN(CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000602199804 449427749 /nfs/dbraw/zinc/42/77/49/449427749.db2.gz IMOWULSYIBXFFR-MRXNPFEDSA-N 2 2 330.476 1.408 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600678598 449487435 /nfs/dbraw/zinc/48/74/35/449487435.db2.gz MBNWAWGBVFKURQ-INIZCTEOSA-N 2 2 334.464 1.826 20 0 EDADLP C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C1CC[NH+](C)CC1 ZINC000606632941 449494442 /nfs/dbraw/zinc/49/44/42/449494442.db2.gz ZLNXFQRBZLJKEK-CQSZACIVSA-N 2 2 329.448 1.906 20 0 EDADLP CC(C)OCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607183268 449583276 /nfs/dbraw/zinc/58/32/76/449583276.db2.gz CGOIORVGZRNACN-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)OCCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607183268 449583280 /nfs/dbraw/zinc/58/32/80/449583280.db2.gz CGOIORVGZRNACN-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000602622247 449711564 /nfs/dbraw/zinc/71/15/64/449711564.db2.gz KQWSNHUEOKLXMQ-GFCCVEGCSA-N 2 2 331.420 1.677 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000601254226 449776494 /nfs/dbraw/zinc/77/64/94/449776494.db2.gz MFBHIXCOIKOIQM-OAHLLOKOSA-N 2 2 333.480 1.934 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC000617763689 449822757 /nfs/dbraw/zinc/82/27/57/449822757.db2.gz XSYSDWQQUBXGJO-SJORKVTESA-N 2 2 334.464 1.159 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1c1ccncc1 ZINC000617763689 449822760 /nfs/dbraw/zinc/82/27/60/449822760.db2.gz XSYSDWQQUBXGJO-SJORKVTESA-N 2 2 334.464 1.159 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000617763898 449824710 /nfs/dbraw/zinc/82/47/10/449824710.db2.gz ANUJPDXHVXTTMB-ZDUSSCGKSA-N 2 2 338.418 1.013 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000617763898 449824717 /nfs/dbraw/zinc/82/47/17/449824717.db2.gz ANUJPDXHVXTTMB-ZDUSSCGKSA-N 2 2 338.418 1.013 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1noc(-c2cccc(F)c2)n1 ZINC000617766203 449829586 /nfs/dbraw/zinc/82/95/86/449829586.db2.gz BSXPUFLPQHSFMX-UHFFFAOYSA-N 2 2 349.410 1.489 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1noc(-c2cccc(F)c2)n1 ZINC000617766203 449829590 /nfs/dbraw/zinc/82/95/90/449829590.db2.gz BSXPUFLPQHSFMX-UHFFFAOYSA-N 2 2 349.410 1.489 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccnc1N1CCCCC1 ZINC000617767123 449830720 /nfs/dbraw/zinc/83/07/20/449830720.db2.gz HVEYHGYAXLPXNM-UHFFFAOYSA-N 2 2 347.507 1.685 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccnc1N1CCCCC1 ZINC000617767123 449830726 /nfs/dbraw/zinc/83/07/26/449830726.db2.gz HVEYHGYAXLPXNM-UHFFFAOYSA-N 2 2 347.507 1.685 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334728 449843274 /nfs/dbraw/zinc/84/32/74/449843274.db2.gz MYDHFERORLNPLX-FXUDXRNXSA-N 2 2 336.480 1.465 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334728 449843280 /nfs/dbraw/zinc/84/32/80/449843280.db2.gz MYDHFERORLNPLX-FXUDXRNXSA-N 2 2 336.480 1.465 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nc(C(=O)OC)co3)C2)CC1 ZINC000602776399 449799794 /nfs/dbraw/zinc/79/97/94/449799794.db2.gz PRCDRRIJTIFULV-ZIAGYGMSSA-N 2 2 336.436 1.234 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nc(C(=O)OC)co3)C2)CC1 ZINC000602776399 449799798 /nfs/dbraw/zinc/79/97/98/449799798.db2.gz PRCDRRIJTIFULV-ZIAGYGMSSA-N 2 2 336.436 1.234 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000608763714 449930758 /nfs/dbraw/zinc/93/07/58/449930758.db2.gz RGYRRPBFENXYQK-FGTMMUONSA-N 2 2 328.460 1.789 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000608763714 449930765 /nfs/dbraw/zinc/93/07/65/449930765.db2.gz RGYRRPBFENXYQK-FGTMMUONSA-N 2 2 328.460 1.789 20 0 EDADLP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000608763714 449930771 /nfs/dbraw/zinc/93/07/71/449930771.db2.gz RGYRRPBFENXYQK-FGTMMUONSA-N 2 2 328.460 1.789 20 0 EDADLP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000608763714 449930778 /nfs/dbraw/zinc/93/07/78/449930778.db2.gz RGYRRPBFENXYQK-FGTMMUONSA-N 2 2 328.460 1.789 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)[C@@H](C[NH3+])C1 ZINC000612939892 449947625 /nfs/dbraw/zinc/94/76/25/449947625.db2.gz DMPNNKTVZFWBLC-QFBILLFUSA-N 2 2 330.476 1.639 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615088931 449950976 /nfs/dbraw/zinc/95/09/76/449950976.db2.gz VOIFEJKYYDPJPT-KBPBESRZSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615088931 449950978 /nfs/dbraw/zinc/95/09/78/449950978.db2.gz VOIFEJKYYDPJPT-KBPBESRZSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615088931 449950985 /nfs/dbraw/zinc/95/09/85/449950985.db2.gz VOIFEJKYYDPJPT-KBPBESRZSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615088931 449950991 /nfs/dbraw/zinc/95/09/91/449950991.db2.gz VOIFEJKYYDPJPT-KBPBESRZSA-N 2 2 332.448 1.226 20 0 EDADLP CC[C@@H](O)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608685827 449909773 /nfs/dbraw/zinc/90/97/73/449909773.db2.gz GAMMEBRPGSWUTE-GDBMZVCRSA-N 2 2 326.485 1.005 20 0 EDADLP CC[C@@H](O)CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608685827 449909779 /nfs/dbraw/zinc/90/97/79/449909779.db2.gz GAMMEBRPGSWUTE-GDBMZVCRSA-N 2 2 326.485 1.005 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1cccc(F)c1 ZINC000612865189 449916402 /nfs/dbraw/zinc/91/64/02/449916402.db2.gz JOZVJSDIXFPEIO-WMLDXEAASA-N 2 2 331.395 1.700 20 0 EDADLP CN(C(=O)c1ncc[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612960002 449957869 /nfs/dbraw/zinc/95/78/69/449957869.db2.gz NVVYIWGBCVJQCH-HOTGVXAUSA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1ncc[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612960002 449957874 /nfs/dbraw/zinc/95/78/74/449957874.db2.gz NVVYIWGBCVJQCH-HOTGVXAUSA-N 2 2 333.480 1.819 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970703 449963711 /nfs/dbraw/zinc/96/37/11/449963711.db2.gz LEWQMMYAWKYOOD-MRXNPFEDSA-N 2 2 325.416 1.814 20 0 EDADLP CN(C(=O)c1cn2ccccc2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476955 450000567 /nfs/dbraw/zinc/00/05/67/450000567.db2.gz LWNNSHZLZFJNLH-MRXNPFEDSA-N 2 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1cn2ccccc2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476955 450000572 /nfs/dbraw/zinc/00/05/72/450000572.db2.gz LWNNSHZLZFJNLH-MRXNPFEDSA-N 2 2 341.459 1.575 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1[NH+]1CCCC1 ZINC000597505830 450068266 /nfs/dbraw/zinc/06/82/66/450068266.db2.gz POXXDJYCINBBEX-UHOFOFEASA-N 2 2 334.489 1.553 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1[NH+]1CCCC1 ZINC000597505830 450068271 /nfs/dbraw/zinc/06/82/71/450068271.db2.gz POXXDJYCINBBEX-UHOFOFEASA-N 2 2 334.489 1.553 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000595387084 450101945 /nfs/dbraw/zinc/10/19/45/450101945.db2.gz GIXFVXIZIXLLAV-JYJNAYRXSA-N 2 2 348.447 1.320 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000595387084 450101949 /nfs/dbraw/zinc/10/19/49/450101949.db2.gz GIXFVXIZIXLLAV-JYJNAYRXSA-N 2 2 348.447 1.320 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC(C[NH+](C)C)C1)CC2 ZINC000615504799 450117009 /nfs/dbraw/zinc/11/70/09/450117009.db2.gz XNSNODPQBCIIPP-UHFFFAOYSA-N 2 2 347.459 1.082 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC(C[NH+](C)C)C1)CC2 ZINC000615504799 450117014 /nfs/dbraw/zinc/11/70/14/450117014.db2.gz XNSNODPQBCIIPP-UHFFFAOYSA-N 2 2 347.459 1.082 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NCCCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000615907714 450269156 /nfs/dbraw/zinc/26/91/56/450269156.db2.gz NWTJMMFOHOFNMY-HZPDHXFCSA-N 2 2 337.468 1.462 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000603493966 450313868 /nfs/dbraw/zinc/31/38/68/450313868.db2.gz NBKJFCMSJDOVPN-JKSUJKDBSA-N 2 2 333.480 1.652 20 0 EDADLP CCc1oc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C(=O)OC ZINC000619844239 450345144 /nfs/dbraw/zinc/34/51/44/450345144.db2.gz CQUVLOWOUKTMFL-OAHLLOKOSA-N 2 2 349.475 1.840 20 0 EDADLP CCc1oc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C(=O)OC ZINC000619844239 450345146 /nfs/dbraw/zinc/34/51/46/450345146.db2.gz CQUVLOWOUKTMFL-OAHLLOKOSA-N 2 2 349.475 1.840 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000623251934 450464890 /nfs/dbraw/zinc/46/48/90/450464890.db2.gz WPCIMPYTZMPYID-GOSISDBHSA-N 2 2 342.443 1.853 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302163 450487837 /nfs/dbraw/zinc/48/78/37/450487837.db2.gz ACYXTXQTCGYZEO-AWEZNQCLSA-N 2 2 328.416 1.568 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620487277 450504717 /nfs/dbraw/zinc/50/47/17/450504717.db2.gz VASMNPROIOZPAS-GOSISDBHSA-N 2 2 340.427 1.544 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620487277 450504720 /nfs/dbraw/zinc/50/47/20/450504720.db2.gz VASMNPROIOZPAS-GOSISDBHSA-N 2 2 340.427 1.544 20 0 EDADLP C[NH+]1CCN(CCCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623357030 450505012 /nfs/dbraw/zinc/50/50/12/450505012.db2.gz VZYXVYWIJSAVSL-UHFFFAOYSA-N 2 2 346.454 1.524 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000620773931 450542245 /nfs/dbraw/zinc/54/22/45/450542245.db2.gz YGOMQCHHXRTIQE-FUHWJXTLSA-N 2 2 330.476 1.013 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000620773931 450542247 /nfs/dbraw/zinc/54/22/47/450542247.db2.gz YGOMQCHHXRTIQE-FUHWJXTLSA-N 2 2 330.476 1.013 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccc(F)cc1 ZINC000623630851 450555030 /nfs/dbraw/zinc/55/50/30/450555030.db2.gz YGEUUDLLZPSRPC-HZPDHXFCSA-N 2 2 338.427 1.058 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)c1ccc(F)cc1 ZINC000623630851 450555031 /nfs/dbraw/zinc/55/50/31/450555031.db2.gz YGEUUDLLZPSRPC-HZPDHXFCSA-N 2 2 338.427 1.058 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C[C@H](C)[NH2+]1 ZINC000620899713 450557297 /nfs/dbraw/zinc/55/72/97/450557297.db2.gz PXVFNSGMHMOHSV-NWDGAFQWSA-N 2 2 330.436 1.247 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626075326 450568796 /nfs/dbraw/zinc/56/87/96/450568796.db2.gz DZQOSWXOAOQZIC-SFHVURJKSA-N 2 2 330.476 1.598 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626075326 450568798 /nfs/dbraw/zinc/56/87/98/450568798.db2.gz DZQOSWXOAOQZIC-SFHVURJKSA-N 2 2 330.476 1.598 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726946 450574092 /nfs/dbraw/zinc/57/40/92/450574092.db2.gz HOZGDGUTCOOEPP-LSDHHAIUSA-N 2 2 348.495 2.102 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726946 450574093 /nfs/dbraw/zinc/57/40/93/450574093.db2.gz HOZGDGUTCOOEPP-LSDHHAIUSA-N 2 2 348.495 2.102 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c(C)[nH+]1 ZINC000633019418 450614184 /nfs/dbraw/zinc/61/41/84/450614184.db2.gz FJYDQCGTJXEABG-MRXNPFEDSA-N 2 2 340.427 1.713 20 0 EDADLP Nc1nc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000623853653 450615622 /nfs/dbraw/zinc/61/56/22/450615622.db2.gz BQJODIIOUGNUEC-LBPRGKRZSA-N 2 2 333.827 1.021 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000635132899 450678020 /nfs/dbraw/zinc/67/80/20/450678020.db2.gz KIDWRAREIUYJSM-UHFFFAOYSA-N 2 2 327.432 1.746 20 0 EDADLP CC(C)C[C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)n1cc[nH+]c1 ZINC000635137445 450682554 /nfs/dbraw/zinc/68/25/54/450682554.db2.gz AZDUGBMBPOGHAH-IRXDYDNUSA-N 2 2 336.480 1.943 20 0 EDADLP CC(C)C[C@@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)n1cc[nH+]c1 ZINC000635137445 450682559 /nfs/dbraw/zinc/68/25/59/450682559.db2.gz AZDUGBMBPOGHAH-IRXDYDNUSA-N 2 2 336.480 1.943 20 0 EDADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1CO ZINC000621366060 450700909 /nfs/dbraw/zinc/70/09/09/450700909.db2.gz FFPQBUHSNRITTQ-IAGOWNOFSA-N 2 2 346.475 1.071 20 0 EDADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1CO ZINC000621366060 450700913 /nfs/dbraw/zinc/70/09/13/450700913.db2.gz FFPQBUHSNRITTQ-IAGOWNOFSA-N 2 2 346.475 1.071 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(c2nc3ccccc3n3c[nH+]cc23)[C@@H](C)C1 ZINC000624118173 450713882 /nfs/dbraw/zinc/71/38/82/450713882.db2.gz ATUXXOONISZRHL-UONOGXRCSA-N 2 2 325.416 1.774 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(c2nc3ccccc3n3c[nH+]cc23)[C@@H](C)C1 ZINC000624118173 450713887 /nfs/dbraw/zinc/71/38/87/450713887.db2.gz ATUXXOONISZRHL-UONOGXRCSA-N 2 2 325.416 1.774 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000629525929 450726318 /nfs/dbraw/zinc/72/63/18/450726318.db2.gz GWJWTEHQCTZKJO-UHOFOFEASA-N 2 2 325.478 1.728 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)[NH+](C)C ZINC000624164975 450730021 /nfs/dbraw/zinc/73/00/21/450730021.db2.gz RUHRSHUEDMKTHQ-HNNXBMFYSA-N 2 2 343.475 1.945 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561672 450737113 /nfs/dbraw/zinc/73/71/13/450737113.db2.gz IYQYDWPTHSFTDN-FZKCQIBNSA-N 3 2 345.409 1.376 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561672 450737123 /nfs/dbraw/zinc/73/71/23/450737123.db2.gz IYQYDWPTHSFTDN-FZKCQIBNSA-N 3 2 345.409 1.376 20 0 EDADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000629577814 450745732 /nfs/dbraw/zinc/74/57/32/450745732.db2.gz JSGFWAZIPMUXHL-LBPRGKRZSA-N 2 2 347.415 1.870 20 0 EDADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH3+] ZINC000629577814 450745739 /nfs/dbraw/zinc/74/57/39/450745739.db2.gz JSGFWAZIPMUXHL-LBPRGKRZSA-N 2 2 347.415 1.870 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585144 450750554 /nfs/dbraw/zinc/75/05/54/450750554.db2.gz LKECXYFVNXBJHL-OGWHTMIXSA-N 2 2 337.508 1.629 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585144 450750559 /nfs/dbraw/zinc/75/05/59/450750559.db2.gz LKECXYFVNXBJHL-OGWHTMIXSA-N 2 2 337.508 1.629 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)CC3 ZINC000624230063 450757217 /nfs/dbraw/zinc/75/72/17/450757217.db2.gz LUEBZGMIUJYXIN-ZIAGYGMSSA-N 2 2 329.444 1.690 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)CC3 ZINC000624230063 450757223 /nfs/dbraw/zinc/75/72/23/450757223.db2.gz LUEBZGMIUJYXIN-ZIAGYGMSSA-N 2 2 329.444 1.690 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635223360 450765110 /nfs/dbraw/zinc/76/51/10/450765110.db2.gz UUDKXFRBDSUTTR-KRWDZBQOSA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635223360 450765117 /nfs/dbraw/zinc/76/51/17/450765117.db2.gz UUDKXFRBDSUTTR-KRWDZBQOSA-N 2 2 344.459 1.551 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n(-c2ccc(F)cc2)n1 ZINC000631842342 450811737 /nfs/dbraw/zinc/81/17/37/450811737.db2.gz ZAKIPIZLMDMYAX-TZMCWYRMSA-N 2 2 345.422 1.785 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n(-c2ccc(F)cc2)n1 ZINC000631842342 450811740 /nfs/dbraw/zinc/81/17/40/450811740.db2.gz ZAKIPIZLMDMYAX-TZMCWYRMSA-N 2 2 345.422 1.785 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000631858362 450829400 /nfs/dbraw/zinc/82/94/00/450829400.db2.gz XIVDAVXQRISVBN-UONOGXRCSA-N 2 2 330.432 1.564 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000631858362 450829404 /nfs/dbraw/zinc/82/94/04/450829404.db2.gz XIVDAVXQRISVBN-UONOGXRCSA-N 2 2 330.432 1.564 20 0 EDADLP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864179 450832655 /nfs/dbraw/zinc/83/26/55/450832655.db2.gz LXMYRPMVVAKONJ-HZPDHXFCSA-N 2 2 333.476 1.607 20 0 EDADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624332871 450798788 /nfs/dbraw/zinc/79/87/88/450798788.db2.gz BGBUBDSLMYWBDC-DOMZBBRYSA-N 2 2 325.840 1.713 20 0 EDADLP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624332871 450798792 /nfs/dbraw/zinc/79/87/92/450798792.db2.gz BGBUBDSLMYWBDC-DOMZBBRYSA-N 2 2 325.840 1.713 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886115 450847747 /nfs/dbraw/zinc/84/77/47/450847747.db2.gz FWHDIXYVFIVICZ-RHSMWYFYSA-N 2 2 338.473 1.543 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886115 450847753 /nfs/dbraw/zinc/84/77/53/450847753.db2.gz FWHDIXYVFIVICZ-RHSMWYFYSA-N 2 2 338.473 1.543 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000627618941 450848957 /nfs/dbraw/zinc/84/89/57/450848957.db2.gz MQUFETMKYNHTFH-LJQANCHMSA-N 2 2 345.487 1.830 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH+](C)CC1 ZINC000627618941 450848960 /nfs/dbraw/zinc/84/89/60/450848960.db2.gz MQUFETMKYNHTFH-LJQANCHMSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631889998 450850869 /nfs/dbraw/zinc/85/08/69/450850869.db2.gz LMUGBMLLUMXJPT-NVXWUHKLSA-N 2 2 337.489 1.511 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631889998 450850873 /nfs/dbraw/zinc/85/08/73/450850873.db2.gz LMUGBMLLUMXJPT-NVXWUHKLSA-N 2 2 337.489 1.511 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)CC2 ZINC000626697078 450857429 /nfs/dbraw/zinc/85/74/29/450857429.db2.gz ITUYVWOJDQLOMP-AWEZNQCLSA-N 2 2 342.447 1.856 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000633617421 450944764 /nfs/dbraw/zinc/94/47/64/450944764.db2.gz LMOLJIAOYYWASL-SJPCQFCGSA-N 2 2 337.508 1.772 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O ZINC000633617421 450944769 /nfs/dbraw/zinc/94/47/69/450944769.db2.gz LMOLJIAOYYWASL-SJPCQFCGSA-N 2 2 337.508 1.772 20 0 EDADLP C[N@H+](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)CC(C)(C)C ZINC000635496382 450991440 /nfs/dbraw/zinc/99/14/40/450991440.db2.gz QLPWINHXJCKEST-UHFFFAOYSA-N 2 2 337.468 1.132 20 0 EDADLP C[N@@H+](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)CC(C)(C)C ZINC000635496382 450991447 /nfs/dbraw/zinc/99/14/47/450991447.db2.gz QLPWINHXJCKEST-UHFFFAOYSA-N 2 2 337.468 1.132 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H]([NH+]3CCOCC3)CC1)CC2 ZINC000626885158 450982070 /nfs/dbraw/zinc/98/20/70/450982070.db2.gz CMGKCGAYQLEUME-DLBZAZTESA-N 2 2 346.475 1.467 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626926231 451009581 /nfs/dbraw/zinc/00/95/81/451009581.db2.gz YSUGTOCNGHAMCE-USXIJHARSA-N 2 2 332.448 1.110 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCOCC2)c1 ZINC000626934447 451016668 /nfs/dbraw/zinc/01/66/68/451016668.db2.gz ZNYWORGUNKVWNF-CGTJXYLNSA-N 2 2 346.475 1.418 20 0 EDADLP CCOc1ccc(C[C@H](C)CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000633797113 451021233 /nfs/dbraw/zinc/02/12/33/451021233.db2.gz SQXFGJMSFPAFJX-DOTOQJQBSA-N 2 2 348.491 1.548 20 0 EDADLP CCOc1ccc(C[C@H](C)CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000633797113 451021240 /nfs/dbraw/zinc/02/12/40/451021240.db2.gz SQXFGJMSFPAFJX-DOTOQJQBSA-N 2 2 348.491 1.548 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000626945712 451025626 /nfs/dbraw/zinc/02/56/26/451025626.db2.gz MBUOFWOVJATTMF-OLZOCXBDSA-N 2 2 347.385 1.832 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635537659 451034048 /nfs/dbraw/zinc/03/40/48/451034048.db2.gz CJCFDYMCBMRECG-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635537659 451034053 /nfs/dbraw/zinc/03/40/53/451034053.db2.gz CJCFDYMCBMRECG-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000635537659 451034056 /nfs/dbraw/zinc/03/40/56/451034056.db2.gz CJCFDYMCBMRECG-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000635537659 451034063 /nfs/dbraw/zinc/03/40/63/451034063.db2.gz CJCFDYMCBMRECG-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP CNc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000635552298 451050202 /nfs/dbraw/zinc/05/02/02/451050202.db2.gz SYJHWQGTCAVKQG-AWEZNQCLSA-N 2 2 334.439 1.766 20 0 EDADLP CNc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000635552298 451050206 /nfs/dbraw/zinc/05/02/06/451050206.db2.gz SYJHWQGTCAVKQG-AWEZNQCLSA-N 2 2 334.439 1.766 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000627056467 451104766 /nfs/dbraw/zinc/10/47/66/451104766.db2.gz AZQWAPNBAJHBRX-JQWIXIFHSA-N 2 2 333.358 1.131 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)COc2ccccc2O1 ZINC000628063123 451114702 /nfs/dbraw/zinc/11/47/02/451114702.db2.gz ZULPTAKRRTWRBR-SFHVURJKSA-N 2 2 335.448 1.216 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)COc2ccccc2O1 ZINC000628063123 451114707 /nfs/dbraw/zinc/11/47/07/451114707.db2.gz ZULPTAKRRTWRBR-SFHVURJKSA-N 2 2 335.448 1.216 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cn3cc(Cl)cn3)c2)CC1 ZINC000634193263 451228385 /nfs/dbraw/zinc/22/83/85/451228385.db2.gz HYLYCOQUJYTARY-UHFFFAOYSA-N 2 2 334.811 1.322 20 0 EDADLP CC(=O)N1CCC[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000634196861 451234406 /nfs/dbraw/zinc/23/44/06/451234406.db2.gz AXXLHRBGEKKASH-OAHLLOKOSA-N 2 2 345.447 1.030 20 0 EDADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)[nH+]1 ZINC000635799669 451247781 /nfs/dbraw/zinc/24/77/81/451247781.db2.gz DYJOVHZKGWOEHH-IYBDPMFKSA-N 2 2 333.480 1.189 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000638089957 451255682 /nfs/dbraw/zinc/25/56/82/451255682.db2.gz FHQYSDXRDMLBLB-QGZVFWFLSA-N 2 2 341.459 1.575 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000638089957 451255689 /nfs/dbraw/zinc/25/56/89/451255689.db2.gz FHQYSDXRDMLBLB-QGZVFWFLSA-N 2 2 341.459 1.575 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+](C)CCc2ccccc2)[C@@H](C)C1 ZINC000635818713 451267179 /nfs/dbraw/zinc/26/71/79/451267179.db2.gz KXNHTKQJAYZGFY-IRXDYDNUSA-N 2 2 333.476 1.074 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+](C)CCc2ccccc2)[C@@H](C)C1 ZINC000635818713 451267188 /nfs/dbraw/zinc/26/71/88/451267188.db2.gz KXNHTKQJAYZGFY-IRXDYDNUSA-N 2 2 333.476 1.074 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@@H](C)C1 ZINC000635818713 451267195 /nfs/dbraw/zinc/26/71/95/451267195.db2.gz KXNHTKQJAYZGFY-IRXDYDNUSA-N 2 2 333.476 1.074 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)c1 ZINC000638103079 451270958 /nfs/dbraw/zinc/27/09/58/451270958.db2.gz KNMZRKYITVCQJH-XOKHGSTOSA-N 2 2 333.432 1.017 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)c1c(F)cccc1F ZINC000638119446 451288952 /nfs/dbraw/zinc/28/89/52/451288952.db2.gz REBILFRZQGYZCY-ZDUSSCGKSA-N 2 2 335.358 1.246 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000638127681 451299071 /nfs/dbraw/zinc/29/90/71/451299071.db2.gz XNZNBWVLRKLRNI-CQSZACIVSA-N 2 2 335.448 1.810 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000636593835 451334253 /nfs/dbraw/zinc/33/42/53/451334253.db2.gz YWSQALSAKSUBJG-UHFFFAOYSA-N 2 2 349.479 1.112 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)n1cc[nH+]c1 ZINC000638223705 451366085 /nfs/dbraw/zinc/36/60/85/451366085.db2.gz YTFXJZKOIZOTAT-LSDHHAIUSA-N 2 2 330.436 1.377 20 0 EDADLP CS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638274799 451393141 /nfs/dbraw/zinc/39/31/41/451393141.db2.gz HHHLLCCPHPNOQS-RDJZCZTQSA-N 2 2 337.489 1.493 20 0 EDADLP CS(=O)(=O)NCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638274799 451393144 /nfs/dbraw/zinc/39/31/44/451393144.db2.gz HHHLLCCPHPNOQS-RDJZCZTQSA-N 2 2 337.489 1.493 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H]1c1[nH]cc[nH+]1 ZINC000638282740 451401464 /nfs/dbraw/zinc/40/14/64/451401464.db2.gz FZXFTCCZODAHEB-RBSFLKMASA-N 2 2 334.468 1.315 20 0 EDADLP C[C@@]1(c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C[NH2+]CCO1 ZINC000634554568 451403876 /nfs/dbraw/zinc/40/38/76/451403876.db2.gz FPWJBHYWKAZXIL-SFHVURJKSA-N 2 2 344.415 1.404 20 0 EDADLP C[C@](O)(C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000634642189 451434665 /nfs/dbraw/zinc/43/46/65/451434665.db2.gz GFDXKIWGICFDPW-MOPGFXCFSA-N 2 2 333.476 1.548 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619019 451465922 /nfs/dbraw/zinc/46/59/22/451465922.db2.gz UOWDHPNRJXMXRF-UHFFFAOYSA-N 3 2 336.484 1.148 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619019 451465924 /nfs/dbraw/zinc/46/59/24/451465924.db2.gz UOWDHPNRJXMXRF-UHFFFAOYSA-N 3 2 336.484 1.148 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000628914546 451472849 /nfs/dbraw/zinc/47/28/49/451472849.db2.gz NRRSBCBTGJKVSG-AWEZNQCLSA-N 2 2 342.443 1.216 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000628914546 451472852 /nfs/dbraw/zinc/47/28/52/451472852.db2.gz NRRSBCBTGJKVSG-AWEZNQCLSA-N 2 2 342.443 1.216 20 0 EDADLP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@H]4COCC[N@@H+]4C)cc3c2C1 ZINC000628914546 451472858 /nfs/dbraw/zinc/47/28/58/451472858.db2.gz NRRSBCBTGJKVSG-AWEZNQCLSA-N 2 2 342.443 1.216 20 0 EDADLP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@H]4COCC[N@H+]4C)cc3c2C1 ZINC000628914546 451472861 /nfs/dbraw/zinc/47/28/61/451472861.db2.gz NRRSBCBTGJKVSG-AWEZNQCLSA-N 2 2 342.443 1.216 20 0 EDADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634704290 451480928 /nfs/dbraw/zinc/48/09/28/451480928.db2.gz JGFNOSOAYZJCCE-MAUKXSAKSA-N 2 2 328.497 1.377 20 0 EDADLP OCc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000634707395 451485598 /nfs/dbraw/zinc/48/55/98/451485598.db2.gz FGNOJGXGIOUXHN-FQEVSTJZSA-N 2 2 326.440 1.906 20 0 EDADLP OCc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000634707395 451485604 /nfs/dbraw/zinc/48/56/04/451485604.db2.gz FGNOJGXGIOUXHN-FQEVSTJZSA-N 2 2 326.440 1.906 20 0 EDADLP CNc1[nH+]cnc2c1cnn2C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634648085 451442070 /nfs/dbraw/zinc/44/20/70/451442070.db2.gz KIMAMCSTBLUECS-GOSISDBHSA-N 2 2 338.415 1.505 20 0 EDADLP CNc1[nH+]cnc2c1cnn2C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648085 451442073 /nfs/dbraw/zinc/44/20/73/451442073.db2.gz KIMAMCSTBLUECS-GOSISDBHSA-N 2 2 338.415 1.505 20 0 EDADLP OCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(F)c1 ZINC000634724820 451505728 /nfs/dbraw/zinc/50/57/28/451505728.db2.gz YFCIOMYXABGBGT-XJKSGUPXSA-N 2 2 330.831 1.949 20 0 EDADLP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000636095267 451512690 /nfs/dbraw/zinc/51/26/90/451512690.db2.gz FRIQQWDQVNHXQU-KDURUIRLSA-N 2 2 343.471 1.875 20 0 EDADLP CO[C@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(C)C ZINC000638454752 451525270 /nfs/dbraw/zinc/52/52/70/451525270.db2.gz NYZUOUHLFRSVHF-KRWDZBQOSA-N 2 2 348.491 1.771 20 0 EDADLP COc1cc(F)cc(OC)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000631049221 451553899 /nfs/dbraw/zinc/55/38/99/451553899.db2.gz DFJDNWLQMXLLTJ-UHFFFAOYSA-N 2 2 326.412 1.779 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000636855454 451557060 /nfs/dbraw/zinc/55/70/60/451557060.db2.gz YXPYDPJYHKEYOZ-KRWDZBQOSA-N 2 2 337.439 1.437 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C(F)(F)F ZINC000638557255 451576169 /nfs/dbraw/zinc/57/61/69/451576169.db2.gz HPFVEOGGBWBTEE-YPMHNXCESA-N 2 2 344.381 1.748 20 0 EDADLP COc1cncc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1C ZINC000631109601 451589977 /nfs/dbraw/zinc/58/99/77/451589977.db2.gz CIUYRYVYMAFPAG-HNNXBMFYSA-N 2 2 343.431 1.413 20 0 EDADLP CO[C@H](C[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCOCC1 ZINC000638636627 451624393 /nfs/dbraw/zinc/62/43/93/451624393.db2.gz FHNXJMIXZRIFJV-QGZVFWFLSA-N 2 2 328.497 1.907 20 0 EDADLP c1cnc2cc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)ccc2n1 ZINC000634962677 451626473 /nfs/dbraw/zinc/62/64/73/451626473.db2.gz ZAFXXFOIYGYJPR-KRWDZBQOSA-N 2 2 341.459 1.126 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638653522 451633173 /nfs/dbraw/zinc/63/31/73/451633173.db2.gz LITZYJJDFXJFFI-DOTOQJQBSA-N 3 2 339.528 1.314 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638653522 451633178 /nfs/dbraw/zinc/63/31/78/451633178.db2.gz LITZYJJDFXJFFI-DOTOQJQBSA-N 3 2 339.528 1.314 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000631229615 451650702 /nfs/dbraw/zinc/65/07/02/451650702.db2.gz LWJOJXRTXSIQNL-MRXNPFEDSA-N 2 2 339.505 1.568 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000631229615 451650705 /nfs/dbraw/zinc/65/07/05/451650705.db2.gz LWJOJXRTXSIQNL-MRXNPFEDSA-N 2 2 339.505 1.568 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)C1(F)F ZINC000636985436 451662118 /nfs/dbraw/zinc/66/21/18/451662118.db2.gz CIHSVZUKLKVRAY-OKILXGFUSA-N 2 2 346.466 1.945 20 0 EDADLP Cc1ncc([C@@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000636986072 451662380 /nfs/dbraw/zinc/66/23/80/451662380.db2.gz FNCWRJMKSCJENK-GFCCVEGCSA-N 2 2 339.509 1.838 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@H]1c1ccccc1 ZINC000636985743 451663041 /nfs/dbraw/zinc/66/30/41/451663041.db2.gz UNHWIMCZJWWPAO-BHYGNILZSA-N 2 2 325.416 1.552 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@H]1c1ccccc1 ZINC000636985743 451663046 /nfs/dbraw/zinc/66/30/46/451663046.db2.gz UNHWIMCZJWWPAO-BHYGNILZSA-N 2 2 325.416 1.552 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)c1C ZINC000640954038 451703067 /nfs/dbraw/zinc/70/30/67/451703067.db2.gz CVAPWWZPTBFEOW-OAHLLOKOSA-N 2 2 331.420 1.304 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)c1C ZINC000640954038 451703069 /nfs/dbraw/zinc/70/30/69/451703069.db2.gz CVAPWWZPTBFEOW-OAHLLOKOSA-N 2 2 331.420 1.304 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638728571 451667674 /nfs/dbraw/zinc/66/76/74/451667674.db2.gz AYJOJRRTRUURHO-IRXDYDNUSA-N 2 2 346.475 1.177 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638728571 451667677 /nfs/dbraw/zinc/66/76/77/451667677.db2.gz AYJOJRRTRUURHO-IRXDYDNUSA-N 2 2 346.475 1.177 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000638731951 451669811 /nfs/dbraw/zinc/66/98/11/451669811.db2.gz SCYZGJCJCNMBOC-ROUUACIJSA-N 2 2 340.427 1.099 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000638731951 451669814 /nfs/dbraw/zinc/66/98/14/451669814.db2.gz SCYZGJCJCNMBOC-ROUUACIJSA-N 2 2 340.427 1.099 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636477734 451728819 /nfs/dbraw/zinc/72/88/19/451728819.db2.gz BRKRHFCUMJRURX-HNNXBMFYSA-N 2 2 345.447 1.101 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636477734 451728822 /nfs/dbraw/zinc/72/88/22/451728822.db2.gz BRKRHFCUMJRURX-HNNXBMFYSA-N 2 2 345.447 1.101 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1Cc1ccccc1 ZINC000637150642 451741449 /nfs/dbraw/zinc/74/14/49/451741449.db2.gz PVMRDBGSFQLMIW-QGPMSJSTSA-N 2 2 339.443 1.770 20 0 EDADLP COc1cc(C)cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1O ZINC000638984990 451745822 /nfs/dbraw/zinc/74/58/22/451745822.db2.gz WZWBWKUPFFLKBK-UHFFFAOYSA-N 2 2 342.399 1.766 20 0 EDADLP CN(C)c1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)ccn1 ZINC000638983893 451745855 /nfs/dbraw/zinc/74/58/55/451745855.db2.gz HYPTYZMGBAEEHP-UHFFFAOYSA-N 2 2 326.404 1.205 20 0 EDADLP C[C@H]1CCn2ncc(C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)c2C1 ZINC000638985517 451746727 /nfs/dbraw/zinc/74/67/27/451746727.db2.gz JKOOEAVRMWNFLJ-ZDUSSCGKSA-N 2 2 340.431 1.522 20 0 EDADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638989618 451748767 /nfs/dbraw/zinc/74/87/67/451748767.db2.gz VWSSTMIODWOOKH-OAHLLOKOSA-N 2 2 334.489 1.639 20 0 EDADLP CC[C@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC[NH2+]1 ZINC000638990833 451749205 /nfs/dbraw/zinc/74/92/05/451749205.db2.gz QWMLZVGRUURDDK-QGZVFWFLSA-N 2 2 334.489 1.783 20 0 EDADLP C[N@H+](Cc1ccc(=O)[nH]c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639074843 451761751 /nfs/dbraw/zinc/76/17/51/451761751.db2.gz CJWVRJYZOWBQHK-IBGZPJMESA-N 2 2 327.428 1.856 20 0 EDADLP C[N@@H+](Cc1ccc(=O)[nH]c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639074843 451761752 /nfs/dbraw/zinc/76/17/52/451761752.db2.gz CJWVRJYZOWBQHK-IBGZPJMESA-N 2 2 327.428 1.856 20 0 EDADLP C[NH+](Cc1ccc(=O)[nH]c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639074843 451761753 /nfs/dbraw/zinc/76/17/53/451761753.db2.gz CJWVRJYZOWBQHK-IBGZPJMESA-N 2 2 327.428 1.856 20 0 EDADLP C[NH+](Cc1ccc(=O)[nH]c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639074843 451761755 /nfs/dbraw/zinc/76/17/55/451761755.db2.gz CJWVRJYZOWBQHK-IBGZPJMESA-N 2 2 327.428 1.856 20 0 EDADLP CO[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000639140120 451775324 /nfs/dbraw/zinc/77/53/24/451775324.db2.gz XIJIKLLHSOIETD-WMZOPIPTSA-N 2 2 326.481 1.472 20 0 EDADLP CO[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000639140120 451775326 /nfs/dbraw/zinc/77/53/26/451775326.db2.gz XIJIKLLHSOIETD-WMZOPIPTSA-N 2 2 326.481 1.472 20 0 EDADLP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000639162553 451781721 /nfs/dbraw/zinc/78/17/21/451781721.db2.gz BYSPBOZKBHXZIG-HQSKLWIPSA-N 2 2 337.508 1.865 20 0 EDADLP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000639162553 451781722 /nfs/dbraw/zinc/78/17/22/451781722.db2.gz BYSPBOZKBHXZIG-HQSKLWIPSA-N 2 2 337.508 1.865 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000641286534 451810362 /nfs/dbraw/zinc/81/03/62/451810362.db2.gz FKSMFMMRZSHFMY-UHFFFAOYSA-N 2 2 349.500 1.391 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000641286534 451810367 /nfs/dbraw/zinc/81/03/67/451810367.db2.gz FKSMFMMRZSHFMY-UHFFFAOYSA-N 2 2 349.500 1.391 20 0 EDADLP CN(Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000639298204 451813828 /nfs/dbraw/zinc/81/38/28/451813828.db2.gz WOOCECJGWMICRS-IBGZPJMESA-N 2 2 347.503 1.924 20 0 EDADLP CN(Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H]1CCC[N@H+]1C ZINC000639298204 451813831 /nfs/dbraw/zinc/81/38/31/451813831.db2.gz WOOCECJGWMICRS-IBGZPJMESA-N 2 2 347.503 1.924 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000653298685 451827686 /nfs/dbraw/zinc/82/76/86/451827686.db2.gz BMVIMOABSMVSHX-ZBFHGGJFSA-N 2 2 335.448 1.140 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000653298685 451827692 /nfs/dbraw/zinc/82/76/92/451827692.db2.gz BMVIMOABSMVSHX-ZBFHGGJFSA-N 2 2 335.448 1.140 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(=O)Nc1ccccc1 ZINC000644525617 451841636 /nfs/dbraw/zinc/84/16/36/451841636.db2.gz KMITWQGHMHSMLY-GOSISDBHSA-N 2 2 327.428 1.708 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(=O)Nc1ccccc1 ZINC000644525617 451841639 /nfs/dbraw/zinc/84/16/39/451841639.db2.gz KMITWQGHMHSMLY-GOSISDBHSA-N 2 2 327.428 1.708 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644528701 451842990 /nfs/dbraw/zinc/84/29/90/451842990.db2.gz QAONAQXKHUMXCN-LJQANCHMSA-N 3 2 335.492 1.180 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644528701 451842993 /nfs/dbraw/zinc/84/29/93/451842993.db2.gz QAONAQXKHUMXCN-LJQANCHMSA-N 3 2 335.492 1.180 20 0 EDADLP Cc1ccc([C@H](CNC[C@H](O)C[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000644535343 451848556 /nfs/dbraw/zinc/84/85/56/451848556.db2.gz GAPQGJGNFZSIFY-IRXDYDNUSA-N 2 2 337.464 1.008 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442313 451857679 /nfs/dbraw/zinc/85/76/79/451857679.db2.gz DRUCNLYPGMHSHG-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442313 451857686 /nfs/dbraw/zinc/85/76/86/451857686.db2.gz DRUCNLYPGMHSHG-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637442313 451857691 /nfs/dbraw/zinc/85/76/91/451857691.db2.gz DRUCNLYPGMHSHG-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637442313 451857695 /nfs/dbraw/zinc/85/76/95/451857695.db2.gz DRUCNLYPGMHSHG-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCOC4(CC[NH+](C)CC4)C3)cc2n1C ZINC000649130007 451862581 /nfs/dbraw/zinc/86/25/81/451862581.db2.gz UEWWPBWWWOXZMM-UHFFFAOYSA-N 2 2 342.443 1.819 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC(C)(C)Oc2ccccc2)C[C@@H](C)O1 ZINC000644567224 451865591 /nfs/dbraw/zinc/86/55/91/451865591.db2.gz OFBLZTDWBFATMG-BRWVUGGUSA-N 2 2 336.476 1.904 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000644572207 451868723 /nfs/dbraw/zinc/86/87/23/451868723.db2.gz UABYXDJTLQSFPO-SJLPKXTDSA-N 2 2 336.476 1.601 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](c2ccccc2)C1 ZINC000649235108 451920854 /nfs/dbraw/zinc/92/08/54/451920854.db2.gz BMWNAWQIEANHIA-LMMKCTJWSA-N 2 2 338.455 1.907 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](c2ccccc2)C1 ZINC000649235108 451920860 /nfs/dbraw/zinc/92/08/60/451920860.db2.gz BMWNAWQIEANHIA-LMMKCTJWSA-N 2 2 338.455 1.907 20 0 EDADLP C[NH+](C)CC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC1 ZINC000639538674 451932728 /nfs/dbraw/zinc/93/27/28/451932728.db2.gz QBLHQLPORVYTBT-UHFFFAOYSA-N 2 2 343.431 1.680 20 0 EDADLP CO[C@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000637555461 451941493 /nfs/dbraw/zinc/94/14/93/451941493.db2.gz MTQSJMSNBCGIOL-OIISXLGYSA-N 2 2 338.496 1.221 20 0 EDADLP CO[C@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000637555461 451941501 /nfs/dbraw/zinc/94/15/01/451941501.db2.gz MTQSJMSNBCGIOL-OIISXLGYSA-N 2 2 338.496 1.221 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000649279256 451950726 /nfs/dbraw/zinc/95/07/26/451950726.db2.gz BCIHJSVYFINHHR-CVEARBPZSA-N 2 2 337.851 1.663 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000649279258 451950800 /nfs/dbraw/zinc/95/08/00/451950800.db2.gz BCIHJSVYFINHHR-HZPDHXFCSA-N 2 2 337.851 1.663 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000649285758 451959078 /nfs/dbraw/zinc/95/90/78/451959078.db2.gz RXLWCCQNCZYNIZ-CQSZACIVSA-N 2 2 330.432 1.012 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2([NH3+])CCN(C)C2)C1 ZINC000649288427 451962952 /nfs/dbraw/zinc/96/29/52/451962952.db2.gz PIBCTQPRNNTBTK-OXJNMPFZSA-N 2 2 344.503 1.568 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2([NH3+])CCN(C)C2)C1 ZINC000649288427 451962956 /nfs/dbraw/zinc/96/29/56/451962956.db2.gz PIBCTQPRNNTBTK-OXJNMPFZSA-N 2 2 344.503 1.568 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC000649299341 451976421 /nfs/dbraw/zinc/97/64/21/451976421.db2.gz LDISBYTVDRJFOL-CQSZACIVSA-N 2 2 337.387 1.465 20 0 EDADLP COCCC1(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC[NH2+]CC1 ZINC000649303609 451980179 /nfs/dbraw/zinc/98/01/79/451980179.db2.gz LNJAQPNPQNJMDW-UHFFFAOYSA-N 2 2 330.432 1.665 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H](C)O1 ZINC000637651465 451998047 /nfs/dbraw/zinc/99/80/47/451998047.db2.gz RYDXSZRMIGPFAN-YCPHGPKFSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H](C)O1 ZINC000637651465 451998051 /nfs/dbraw/zinc/99/80/51/451998051.db2.gz RYDXSZRMIGPFAN-YCPHGPKFSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)O1 ZINC000637655115 451999428 /nfs/dbraw/zinc/99/94/28/451999428.db2.gz NUNLZRRVRCKOSW-JHNDHUHGSA-N 2 2 338.496 1.362 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)O1 ZINC000637655115 451999431 /nfs/dbraw/zinc/99/94/31/451999431.db2.gz NUNLZRRVRCKOSW-JHNDHUHGSA-N 2 2 338.496 1.362 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000649320830 452000048 /nfs/dbraw/zinc/00/00/48/452000048.db2.gz BWBRSFKUYCHKJW-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642980738 452006000 /nfs/dbraw/zinc/00/60/00/452006000.db2.gz LCDVBSTZVWTOGH-CABCVRRESA-N 2 2 347.463 1.215 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644820283 452011402 /nfs/dbraw/zinc/01/14/02/452011402.db2.gz VEYLEWXLDKJAPU-ZBEGNZNMSA-N 2 2 334.370 1.785 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644820283 452011405 /nfs/dbraw/zinc/01/14/05/452011405.db2.gz VEYLEWXLDKJAPU-ZBEGNZNMSA-N 2 2 334.370 1.785 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649339217 452018932 /nfs/dbraw/zinc/01/89/32/452018932.db2.gz CHLLUKPISORYBL-QGZVFWFLSA-N 2 2 346.475 1.383 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)o1 ZINC000649345919 452028708 /nfs/dbraw/zinc/02/87/08/452028708.db2.gz SHCYSTKWVITYHN-TUVASFSCSA-N 2 2 332.448 1.581 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)o1 ZINC000649345919 452028710 /nfs/dbraw/zinc/02/87/10/452028710.db2.gz SHCYSTKWVITYHN-TUVASFSCSA-N 2 2 332.448 1.581 20 0 EDADLP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CCn3cc[nH+]c3C)C2)ccn1 ZINC000639702503 452038820 /nfs/dbraw/zinc/03/88/20/452038820.db2.gz RYQFBRUQIBZWSM-MRXNPFEDSA-N 2 2 343.431 1.490 20 0 EDADLP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](CCn3cc[nH+]c3C)C2)ccn1 ZINC000639702503 452038827 /nfs/dbraw/zinc/03/88/27/452038827.db2.gz RYQFBRUQIBZWSM-MRXNPFEDSA-N 2 2 343.431 1.490 20 0 EDADLP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000653618236 452042594 /nfs/dbraw/zinc/04/25/94/452042594.db2.gz XCKFHQUKRCCNCK-HKUYNNGSSA-N 2 2 335.492 1.526 20 0 EDADLP CC[C@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000653618236 452042599 /nfs/dbraw/zinc/04/25/99/452042599.db2.gz XCKFHQUKRCCNCK-HKUYNNGSSA-N 2 2 335.492 1.526 20 0 EDADLP CC[C@H]1CN(c2ccccc2)CC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000653618236 452042606 /nfs/dbraw/zinc/04/26/06/452042606.db2.gz XCKFHQUKRCCNCK-HKUYNNGSSA-N 2 2 335.492 1.526 20 0 EDADLP CC[C@H]1CN(c2ccccc2)CC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000653618236 452042611 /nfs/dbraw/zinc/04/26/11/452042611.db2.gz XCKFHQUKRCCNCK-HKUYNNGSSA-N 2 2 335.492 1.526 20 0 EDADLP CC1(C)C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000651757847 452057863 /nfs/dbraw/zinc/05/78/63/452057863.db2.gz FKXFOLBLBHFGCP-MRXNPFEDSA-N 2 2 341.459 1.782 20 0 EDADLP CC1(C)C[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C[N@H+]1Cc1ccccc1 ZINC000651757847 452057868 /nfs/dbraw/zinc/05/78/68/452057868.db2.gz FKXFOLBLBHFGCP-MRXNPFEDSA-N 2 2 341.459 1.782 20 0 EDADLP Cc1cc(C)n(CC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)n1 ZINC000649419793 452082141 /nfs/dbraw/zinc/08/21/41/452082141.db2.gz KWWJFCJBRIEUCA-UHFFFAOYSA-N 2 2 329.452 1.074 20 0 EDADLP CN1CC[NH+](Cc2cccc(-c3nc([C@@H]4CCC[NH2+]4)no3)c2)CC1 ZINC000647151424 452090794 /nfs/dbraw/zinc/09/07/94/452090794.db2.gz FXKZHZGEGDRQDZ-INIZCTEOSA-N 2 2 327.432 1.909 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647168522 452101694 /nfs/dbraw/zinc/10/16/94/452101694.db2.gz YXNHCGUPEWKUCO-CYBMUJFWSA-N 2 2 343.468 1.827 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647168522 452101699 /nfs/dbraw/zinc/10/16/99/452101699.db2.gz YXNHCGUPEWKUCO-CYBMUJFWSA-N 2 2 343.468 1.827 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000639763423 452103364 /nfs/dbraw/zinc/10/33/64/452103364.db2.gz CPPHUROCPOLMMC-YOEHRIQHSA-N 2 2 342.867 1.468 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000639763423 452103372 /nfs/dbraw/zinc/10/33/72/452103372.db2.gz CPPHUROCPOLMMC-YOEHRIQHSA-N 2 2 342.867 1.468 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc3n(n2)CCCC3)nc[nH+]1 ZINC000649510487 452116616 /nfs/dbraw/zinc/11/66/16/452116616.db2.gz FMQVAXDIMLEPDG-MRXNPFEDSA-N 2 2 341.463 1.810 20 0 EDADLP COc1ncncc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000647193658 452119140 /nfs/dbraw/zinc/11/91/40/452119140.db2.gz MNBHQAONUNFUQZ-UHFFFAOYSA-N 2 2 342.447 2.023 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000653866994 452152815 /nfs/dbraw/zinc/15/28/15/452152815.db2.gz YPTVXTZHDKDPPM-GASCZTMLSA-N 2 2 335.448 1.714 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000653866994 452152821 /nfs/dbraw/zinc/15/28/21/452152821.db2.gz YPTVXTZHDKDPPM-GASCZTMLSA-N 2 2 335.448 1.714 20 0 EDADLP C[C@H](O)C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000653896792 452166177 /nfs/dbraw/zinc/16/61/77/452166177.db2.gz DJFJSFBMVYZULN-AWEZNQCLSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H](O)C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000653896792 452166181 /nfs/dbraw/zinc/16/61/81/452166181.db2.gz DJFJSFBMVYZULN-AWEZNQCLSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2n(n1)CCCC2 ZINC000647288022 452167418 /nfs/dbraw/zinc/16/74/18/452167418.db2.gz CFQYLKHJUIYRRI-CABCVRRESA-N 2 2 333.480 1.457 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc2n(n1)CCCC2 ZINC000647288022 452167424 /nfs/dbraw/zinc/16/74/24/452167424.db2.gz CFQYLKHJUIYRRI-CABCVRRESA-N 2 2 333.480 1.457 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000652013673 452224072 /nfs/dbraw/zinc/22/40/72/452224072.db2.gz MQXLXORNCGXVBD-OAHLLOKOSA-N 2 2 346.479 1.812 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn21 ZINC000645235615 452228420 /nfs/dbraw/zinc/22/84/20/452228420.db2.gz WETFDLKHPGFXCE-QGZVFWFLSA-N 2 2 341.459 1.969 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn21 ZINC000645235615 452228425 /nfs/dbraw/zinc/22/84/25/452228425.db2.gz WETFDLKHPGFXCE-QGZVFWFLSA-N 2 2 341.459 1.969 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000641773513 452244972 /nfs/dbraw/zinc/24/49/72/452244972.db2.gz XHCMYUGJQPEZCB-CYBMUJFWSA-N 2 2 325.482 1.590 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000641784341 452254489 /nfs/dbraw/zinc/25/44/89/452254489.db2.gz BZDCAHZQBAFLQA-ROUUACIJSA-N 2 2 337.508 1.474 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccncc1 ZINC000641785343 452256814 /nfs/dbraw/zinc/25/68/14/452256814.db2.gz IEXQNIJJVCIOQO-MOPGFXCFSA-N 2 2 332.492 1.919 20 0 EDADLP Cc1ncc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641787405 452263059 /nfs/dbraw/zinc/26/30/59/452263059.db2.gz VFCAFCVPHNSZCG-HOCLYGCPSA-N 2 2 338.521 1.899 20 0 EDADLP CCOc1cncc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641787635 452263338 /nfs/dbraw/zinc/26/33/38/452263338.db2.gz WRRTYSLEPMJCFO-SFHVURJKSA-N 2 2 348.491 1.367 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643501568 452269271 /nfs/dbraw/zinc/26/92/71/452269271.db2.gz LCTCQAZBLKQUPP-ZFWWWQNUSA-N 2 2 325.478 1.730 20 0 EDADLP c1nc(N2CCC(CCC[NH+]3CCOCC3)CC2)c2c([nH+]1)NCCO2 ZINC000665710764 452271992 /nfs/dbraw/zinc/27/19/92/452271992.db2.gz MUDISZJFPUVJNS-UHFFFAOYSA-N 2 2 347.463 1.610 20 0 EDADLP c1nc2c(c(N3CCC(CCC[NH+]4CCOCC4)CC3)[nH+]1)OCCN2 ZINC000665710764 452272004 /nfs/dbraw/zinc/27/20/04/452272004.db2.gz MUDISZJFPUVJNS-UHFFFAOYSA-N 2 2 347.463 1.610 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000654137762 452279980 /nfs/dbraw/zinc/27/99/80/452279980.db2.gz LSXPHCASHDHGED-AEFFLSMTSA-N 2 2 330.476 1.989 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000654137762 452279986 /nfs/dbraw/zinc/27/99/86/452279986.db2.gz LSXPHCASHDHGED-AEFFLSMTSA-N 2 2 330.476 1.989 20 0 EDADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000641803834 452280820 /nfs/dbraw/zinc/28/08/20/452280820.db2.gz VDPUCMXKEKBMHE-IRXDYDNUSA-N 3 2 346.475 1.173 20 0 EDADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000641803834 452280825 /nfs/dbraw/zinc/28/08/25/452280825.db2.gz VDPUCMXKEKBMHE-IRXDYDNUSA-N 2 2 346.475 1.173 20 0 EDADLP [NH3+]Cc1ncc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cn1 ZINC000638049753 452320477 /nfs/dbraw/zinc/32/04/77/452320477.db2.gz HIRAOFMGINUXFY-UHFFFAOYSA-N 2 2 332.433 1.630 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1C ZINC000657537179 452322332 /nfs/dbraw/zinc/32/23/32/452322332.db2.gz BLDMQQAWYDECGW-UHFFFAOYSA-N 3 2 335.496 1.467 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657561454 452333977 /nfs/dbraw/zinc/33/39/77/452333977.db2.gz AKMLVFAOQYLLMN-GWCFXTLKSA-N 2 2 341.253 1.114 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657561454 452333981 /nfs/dbraw/zinc/33/39/81/452333981.db2.gz AKMLVFAOQYLLMN-GWCFXTLKSA-N 2 2 341.253 1.114 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638055657 452341666 /nfs/dbraw/zinc/34/16/66/452341666.db2.gz URPPTPQYRNAMLS-UHFFFAOYSA-N 2 2 331.460 1.647 20 0 EDADLP Cc1cc(N2CCN(C(=O)CCC3C[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000638056256 452342101 /nfs/dbraw/zinc/34/21/01/452342101.db2.gz ISWAATSRTWRZQH-UHFFFAOYSA-N 2 2 331.464 1.557 20 0 EDADLP COC[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCC[NH2+]1 ZINC000638059469 452347214 /nfs/dbraw/zinc/34/72/14/452347214.db2.gz GHHDXRPCBAAHOL-IBGZPJMESA-N 2 2 346.475 1.847 20 0 EDADLP C[NH+]1CCC2(CC1)CN(c1cc(N3CCSCC3)[nH+]cn1)CCO2 ZINC000645384458 452358213 /nfs/dbraw/zinc/35/82/13/452358213.db2.gz FGVAAMODDAUGPQ-UHFFFAOYSA-N 2 2 349.504 1.331 20 0 EDADLP C[NH+]1CCC2(CC1)CN(c1cc(N3CCSCC3)nc[nH+]1)CCO2 ZINC000645384458 452358222 /nfs/dbraw/zinc/35/82/22/452358222.db2.gz FGVAAMODDAUGPQ-UHFFFAOYSA-N 2 2 349.504 1.331 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)CO1 ZINC000663623830 452359947 /nfs/dbraw/zinc/35/99/47/452359947.db2.gz HCIHUANRCVQQLO-UONOGXRCSA-N 2 2 335.452 1.056 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)CO1 ZINC000663623830 452359956 /nfs/dbraw/zinc/35/99/56/452359956.db2.gz HCIHUANRCVQQLO-UONOGXRCSA-N 2 2 335.452 1.056 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000647631408 452367093 /nfs/dbraw/zinc/36/70/93/452367093.db2.gz HZMQSTIOAYOMSG-BBWFWOEESA-N 2 2 339.455 1.275 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000647631408 452367096 /nfs/dbraw/zinc/36/70/96/452367096.db2.gz HZMQSTIOAYOMSG-BBWFWOEESA-N 2 2 339.455 1.275 20 0 EDADLP O=C(NCC[NH2+]C1CC1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000659509685 452372791 /nfs/dbraw/zinc/37/27/91/452372791.db2.gz HCZBJALVXWTSHA-MSOLQXFVSA-N 2 2 344.459 1.033 20 0 EDADLP O=C(NCC[NH2+]C1CC1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000659509685 452372795 /nfs/dbraw/zinc/37/27/95/452372795.db2.gz HCZBJALVXWTSHA-MSOLQXFVSA-N 2 2 344.459 1.033 20 0 EDADLP Cc1ccc(C[NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc1 ZINC000649897678 452374193 /nfs/dbraw/zinc/37/41/93/452374193.db2.gz DJNOOPQCLXJKKP-GOSISDBHSA-N 2 2 348.491 1.295 20 0 EDADLP Cc1ccc(C[NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc1 ZINC000649897678 452374202 /nfs/dbraw/zinc/37/42/02/452374202.db2.gz DJNOOPQCLXJKKP-GOSISDBHSA-N 2 2 348.491 1.295 20 0 EDADLP Cc1ccc(C[N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)nc1 ZINC000649897678 452374209 /nfs/dbraw/zinc/37/42/09/452374209.db2.gz DJNOOPQCLXJKKP-GOSISDBHSA-N 2 2 348.491 1.295 20 0 EDADLP Cc1ccc(C[N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)nc1 ZINC000649897678 452374219 /nfs/dbraw/zinc/37/42/19/452374219.db2.gz DJNOOPQCLXJKKP-GOSISDBHSA-N 2 2 348.491 1.295 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000638073334 452383193 /nfs/dbraw/zinc/38/31/93/452383193.db2.gz SPYRFJUJVVKUMQ-QGZVFWFLSA-N 2 2 348.491 1.814 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652197922 452395969 /nfs/dbraw/zinc/39/59/69/452395969.db2.gz PSFIUECRYIFSSW-YHUYYLMFSA-N 2 2 349.479 1.892 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000640102066 452426250 /nfs/dbraw/zinc/42/62/50/452426250.db2.gz JDXSLMRGDKCAGS-HDICACEKSA-N 2 2 331.508 1.615 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000640102066 452426258 /nfs/dbraw/zinc/42/62/58/452426258.db2.gz JDXSLMRGDKCAGS-HDICACEKSA-N 2 2 331.508 1.615 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663726904 452461900 /nfs/dbraw/zinc/46/19/00/452461900.db2.gz BKBSQCYXCJOGNM-HOTGVXAUSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663726904 452461909 /nfs/dbraw/zinc/46/19/09/452461909.db2.gz BKBSQCYXCJOGNM-HOTGVXAUSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663726904 452461915 /nfs/dbraw/zinc/46/19/15/452461915.db2.gz BKBSQCYXCJOGNM-HOTGVXAUSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663726904 452461922 /nfs/dbraw/zinc/46/19/22/452461922.db2.gz BKBSQCYXCJOGNM-HOTGVXAUSA-N 2 2 345.491 1.748 20 0 EDADLP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657751821 452499786 /nfs/dbraw/zinc/49/97/86/452499786.db2.gz LBHQYTZIERLYKJ-SFHVURJKSA-N 3 2 327.432 1.610 20 0 EDADLP c1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657751821 452499789 /nfs/dbraw/zinc/49/97/89/452499789.db2.gz LBHQYTZIERLYKJ-SFHVURJKSA-N 2 2 327.432 1.610 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655718281 452533940 /nfs/dbraw/zinc/53/39/40/452533940.db2.gz IBQTWBKSONFQTR-LJQANCHMSA-N 3 2 339.524 1.719 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000652357940 452536543 /nfs/dbraw/zinc/53/65/43/452536543.db2.gz PMBIMVARCRHERZ-FIXISWKDSA-N 2 2 327.375 1.587 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000652357940 452536546 /nfs/dbraw/zinc/53/65/46/452536546.db2.gz PMBIMVARCRHERZ-FIXISWKDSA-N 2 2 327.375 1.587 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000657800542 452536785 /nfs/dbraw/zinc/53/67/85/452536785.db2.gz HCEYOHUBLHVBFF-WOJBJXKFSA-N 2 2 346.519 1.113 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000657800542 452536790 /nfs/dbraw/zinc/53/67/90/452536790.db2.gz HCEYOHUBLHVBFF-WOJBJXKFSA-N 2 2 346.519 1.113 20 0 EDADLP COCC[NH+]1CC[C@@H](NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000657800542 452536799 /nfs/dbraw/zinc/53/67/99/452536799.db2.gz HCEYOHUBLHVBFF-WOJBJXKFSA-N 2 2 346.519 1.113 20 0 EDADLP COCC[NH+]1CC[C@@H](NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000657800542 452536809 /nfs/dbraw/zinc/53/68/09/452536809.db2.gz HCEYOHUBLHVBFF-WOJBJXKFSA-N 2 2 346.519 1.113 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000652357577 452538042 /nfs/dbraw/zinc/53/80/42/452538042.db2.gz ZKMXOLRILSZYNG-FRFSOERESA-N 2 2 337.439 1.641 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000652357577 452538052 /nfs/dbraw/zinc/53/80/52/452538052.db2.gz ZKMXOLRILSZYNG-FRFSOERESA-N 2 2 337.439 1.641 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCSc3ccccc32)C[C@H]1C[NH3+] ZINC000652357415 452538122 /nfs/dbraw/zinc/53/81/22/452538122.db2.gz OOECEFHJUVHHFR-SQWLQELKSA-N 2 2 349.500 1.809 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCSc3ccccc32)C[C@H]1C[NH3+] ZINC000652357415 452538129 /nfs/dbraw/zinc/53/81/29/452538129.db2.gz OOECEFHJUVHHFR-SQWLQELKSA-N 2 2 349.500 1.809 20 0 EDADLP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655725943 452538524 /nfs/dbraw/zinc/53/85/24/452538524.db2.gz NZRYTVBKGLOFNE-LPHOPBHVSA-N 3 2 337.508 1.330 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000655732813 452547145 /nfs/dbraw/zinc/54/71/45/452547145.db2.gz MERXAETXASMNNH-HZPDHXFCSA-N 2 2 331.464 1.691 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000655732813 452547155 /nfs/dbraw/zinc/54/71/55/452547155.db2.gz MERXAETXASMNNH-HZPDHXFCSA-N 2 2 331.464 1.691 20 0 EDADLP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000655735293 452548238 /nfs/dbraw/zinc/54/82/38/452548238.db2.gz GHYWHKYMIKNELU-IAGOWNOFSA-N 2 2 332.444 1.842 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cccc2ccccc21 ZINC000647834715 452568097 /nfs/dbraw/zinc/56/80/97/452568097.db2.gz GAKMVDCUCNDMSI-UHFFFAOYSA-N 2 2 326.444 1.615 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cccc2ccccc21 ZINC000647834715 452568102 /nfs/dbraw/zinc/56/81/02/452568102.db2.gz GAKMVDCUCNDMSI-UHFFFAOYSA-N 2 2 326.444 1.615 20 0 EDADLP C[N@H+](CCC[NH3+])[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647847556 452580917 /nfs/dbraw/zinc/58/09/17/452580917.db2.gz UJHSNKHAHREYEM-CYBMUJFWSA-N 2 2 326.238 1.835 20 0 EDADLP C[N@@H+](CCC[NH3+])[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647847556 452580925 /nfs/dbraw/zinc/58/09/25/452580925.db2.gz UJHSNKHAHREYEM-CYBMUJFWSA-N 2 2 326.238 1.835 20 0 EDADLP CN(CCC[NH+]1CCCC1)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663871428 452594350 /nfs/dbraw/zinc/59/43/50/452594350.db2.gz HQTGKWKLVLZZLH-UHFFFAOYSA-N 2 2 333.480 1.750 20 0 EDADLP CN(CCC[NH+]1CCCC1)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663871428 452594355 /nfs/dbraw/zinc/59/43/55/452594355.db2.gz HQTGKWKLVLZZLH-UHFFFAOYSA-N 2 2 333.480 1.750 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1CC[NH+](C2CC2)CC1 ZINC000655859013 452611515 /nfs/dbraw/zinc/61/15/15/452611515.db2.gz WVAUGQSYSMREHB-CALCHBBNSA-N 2 2 336.480 1.023 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1CC[NH+](C2CC2)CC1 ZINC000655859013 452611521 /nfs/dbraw/zinc/61/15/21/452611521.db2.gz WVAUGQSYSMREHB-CALCHBBNSA-N 2 2 336.480 1.023 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000645644826 452648463 /nfs/dbraw/zinc/64/84/63/452648463.db2.gz OSZIPOCVMUBCKL-NXHRZFHOSA-N 2 2 331.460 1.483 20 0 EDADLP C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)[C@H]1C[N@H+](C)CCO1 ZINC000652464175 452657454 /nfs/dbraw/zinc/65/74/54/452657454.db2.gz MYXOMBKEHVJLDE-MJBXVCDLSA-N 2 2 335.452 1.232 20 0 EDADLP C[C@H](NC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000652464175 452657461 /nfs/dbraw/zinc/65/74/61/452657461.db2.gz MYXOMBKEHVJLDE-MJBXVCDLSA-N 2 2 335.452 1.232 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(F)(F)F ZINC000655912250 452670504 /nfs/dbraw/zinc/67/05/04/452670504.db2.gz MBYRYWVGTHNJBB-NSHDSACASA-N 2 2 336.383 1.465 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000666190316 452670861 /nfs/dbraw/zinc/67/08/61/452670861.db2.gz HSTOEUZCSHDSBS-LJQANCHMSA-N 2 2 345.487 1.078 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000666190316 452670866 /nfs/dbraw/zinc/67/08/66/452670866.db2.gz HSTOEUZCSHDSBS-LJQANCHMSA-N 2 2 345.487 1.078 20 0 EDADLP O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000666190313 452670950 /nfs/dbraw/zinc/67/09/50/452670950.db2.gz HSTOEUZCSHDSBS-IBGZPJMESA-N 2 2 345.487 1.078 20 0 EDADLP O=C([C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CC[NH+](CCO)CC1 ZINC000666190313 452670956 /nfs/dbraw/zinc/67/09/56/452670956.db2.gz HSTOEUZCSHDSBS-IBGZPJMESA-N 2 2 345.487 1.078 20 0 EDADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666213282 452691347 /nfs/dbraw/zinc/69/13/47/452691347.db2.gz AQBJAUWPJCNLIB-MRXNPFEDSA-N 2 2 342.403 1.206 20 0 EDADLP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000664007833 452707681 /nfs/dbraw/zinc/70/76/81/452707681.db2.gz USHFOGDOFBOVLR-CABCVRRESA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000664007833 452707687 /nfs/dbraw/zinc/70/76/87/452707687.db2.gz USHFOGDOFBOVLR-CABCVRRESA-N 2 2 328.501 1.515 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCOCC1 ZINC000666262154 452725353 /nfs/dbraw/zinc/72/53/53/452725353.db2.gz MJEWZZXJNBZXJO-QAPCUYQASA-N 2 2 348.491 1.768 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659867910 452747179 /nfs/dbraw/zinc/74/71/79/452747179.db2.gz YGDYJKGSKZHMTB-BZUAXINKSA-N 2 2 331.451 1.901 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000661997966 452752803 /nfs/dbraw/zinc/75/28/03/452752803.db2.gz RNKKDQCMJFROIF-OAHLLOKOSA-N 2 2 335.492 1.430 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000661997966 452752813 /nfs/dbraw/zinc/75/28/13/452752813.db2.gz RNKKDQCMJFROIF-OAHLLOKOSA-N 2 2 335.492 1.430 20 0 EDADLP CCC[NH+]1CCC(Nc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000648028657 452763460 /nfs/dbraw/zinc/76/34/60/452763460.db2.gz VTDUIZYXNVZTBU-UHFFFAOYSA-N 2 2 329.448 1.164 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)ccc2[nH+]1 ZINC000652629260 452786917 /nfs/dbraw/zinc/78/69/17/452786917.db2.gz FOXQMVDKMKUYPZ-UGSOOPFHSA-N 2 2 341.415 1.169 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@H]3CC[N@@H+]3C(C)(C)C)nc[nH+]2)C1 ZINC000664138936 452817789 /nfs/dbraw/zinc/81/77/89/452817789.db2.gz MSLZYDJXIIBTLW-RRFJBIMHSA-N 2 2 333.480 1.968 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@H]3CC[N@H+]3C(C)(C)C)nc[nH+]2)C1 ZINC000664138936 452817794 /nfs/dbraw/zinc/81/77/94/452817794.db2.gz MSLZYDJXIIBTLW-RRFJBIMHSA-N 2 2 333.480 1.968 20 0 EDADLP O=C(C[N@@H+]1CCC2(COC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662074703 452821497 /nfs/dbraw/zinc/82/14/97/452821497.db2.gz ZQOLXTUIXBOQQE-UHFFFAOYSA-N 2 2 335.473 1.115 20 0 EDADLP O=C(C[N@H+]1CCC2(COC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662074703 452821501 /nfs/dbraw/zinc/82/15/01/452821501.db2.gz ZQOLXTUIXBOQQE-UHFFFAOYSA-N 2 2 335.473 1.115 20 0 EDADLP CC1(C)C[C@H]([NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CO1 ZINC000659950287 452846549 /nfs/dbraw/zinc/84/65/49/452846549.db2.gz DQZLSSHCXHDUIH-HNNXBMFYSA-N 2 2 347.463 1.003 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)[C@](C)(CO)C3)c2cc1C ZINC000662133434 452865741 /nfs/dbraw/zinc/86/57/41/452865741.db2.gz FFWSKZOCQTUBMB-MDZRGWNJSA-N 2 2 331.460 1.964 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)[C@](C)(CO)C3)c2cc1C ZINC000662133434 452865749 /nfs/dbraw/zinc/86/57/49/452865749.db2.gz FFWSKZOCQTUBMB-MDZRGWNJSA-N 2 2 331.460 1.964 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CC[N@H+](C)C1 ZINC000658359631 452867818 /nfs/dbraw/zinc/86/78/18/452867818.db2.gz DUJJHLNKFQJOFT-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CC[N@@H+](C)C1 ZINC000658359631 452867827 /nfs/dbraw/zinc/86/78/27/452867827.db2.gz DUJJHLNKFQJOFT-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@]1(C)CO ZINC000662133608 452869213 /nfs/dbraw/zinc/86/92/13/452869213.db2.gz FOMKILQQXCIRRK-LPHOPBHVSA-N 2 2 346.475 1.071 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@]1(C)CO ZINC000662133608 452869225 /nfs/dbraw/zinc/86/92/25/452869225.db2.gz FOMKILQQXCIRRK-LPHOPBHVSA-N 2 2 346.475 1.071 20 0 EDADLP CCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@H]1CC[N@H+](C)C1 ZINC000658361414 452871971 /nfs/dbraw/zinc/87/19/71/452871971.db2.gz MPKXTJBROQCLGH-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP CCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@H]1CC[N@@H+](C)C1 ZINC000658361414 452871976 /nfs/dbraw/zinc/87/19/76/452871976.db2.gz MPKXTJBROQCLGH-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000656118554 452875635 /nfs/dbraw/zinc/87/56/35/452875635.db2.gz SAUUVHCKZFSWLR-HUUCEWRRSA-N 2 2 332.448 1.706 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CCN1C ZINC000648167411 452879128 /nfs/dbraw/zinc/87/91/28/452879128.db2.gz LZINPQBVUXTPML-LSDHHAIUSA-N 2 2 347.850 1.589 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000648174662 452885118 /nfs/dbraw/zinc/88/51/18/452885118.db2.gz ZQUKFPTYBFCNJZ-RRFJBIMHSA-N 2 2 332.448 1.502 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000652734922 452895432 /nfs/dbraw/zinc/89/54/32/452895432.db2.gz MHVBFQBSMKHGKJ-OAHLLOKOSA-N 2 2 347.463 1.785 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000652734922 452895440 /nfs/dbraw/zinc/89/54/40/452895440.db2.gz MHVBFQBSMKHGKJ-OAHLLOKOSA-N 2 2 347.463 1.785 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662159507 452899267 /nfs/dbraw/zinc/89/92/67/452899267.db2.gz IXIOERZYPUEWIT-ROUUACIJSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662159507 452899272 /nfs/dbraw/zinc/89/92/72/452899272.db2.gz IXIOERZYPUEWIT-ROUUACIJSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1nc(C)c(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664224208 452902739 /nfs/dbraw/zinc/90/27/39/452902739.db2.gz QFGGPZKILGGGLD-UHFFFAOYSA-N 2 2 327.498 1.443 20 0 EDADLP Cc1nc(C)c(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000664224208 452902745 /nfs/dbraw/zinc/90/27/45/452902745.db2.gz QFGGPZKILGGGLD-UHFFFAOYSA-N 2 2 327.498 1.443 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000645930474 452907682 /nfs/dbraw/zinc/90/76/82/452907682.db2.gz WHPLDASDEOQIOM-YOEHRIQHSA-N 2 2 331.460 1.898 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNc1nc2c(cnn2C(C)(C)C)c(N)n1 ZINC000664243895 452922190 /nfs/dbraw/zinc/92/21/90/452922190.db2.gz CAFKPLCWZROFNE-UHFFFAOYSA-N 2 2 348.499 1.459 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNc1nc2c(cnn2C(C)(C)C)c(N)n1 ZINC000664243895 452922197 /nfs/dbraw/zinc/92/21/97/452922197.db2.gz CAFKPLCWZROFNE-UHFFFAOYSA-N 2 2 348.499 1.459 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c2[nH+]ccn21 ZINC000656199404 452955377 /nfs/dbraw/zinc/95/53/77/452955377.db2.gz AJSNQFCUTBJDTJ-ILXRZTDVSA-N 2 2 333.436 1.395 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000658428174 452956764 /nfs/dbraw/zinc/95/67/64/452956764.db2.gz SCAHEYRTTACWBO-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000658428174 452956775 /nfs/dbraw/zinc/95/67/75/452956775.db2.gz SCAHEYRTTACWBO-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@@H+]2CCC(C)(C)C2)nc[nH+]1 ZINC000654844968 452968571 /nfs/dbraw/zinc/96/85/71/452968571.db2.gz MXQLAYWUESDICV-AWEZNQCLSA-N 2 2 346.479 1.335 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@H+]2CCC(C)(C)C2)nc[nH+]1 ZINC000654844968 452968579 /nfs/dbraw/zinc/96/85/79/452968579.db2.gz MXQLAYWUESDICV-AWEZNQCLSA-N 2 2 346.479 1.335 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@@H+]2CCC(C)(C)C2)[nH+]cn1 ZINC000654844968 452968588 /nfs/dbraw/zinc/96/85/88/452968588.db2.gz MXQLAYWUESDICV-AWEZNQCLSA-N 2 2 346.479 1.335 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@H+]2CCC(C)(C)C2)[nH+]cn1 ZINC000654844968 452968593 /nfs/dbraw/zinc/96/85/93/452968593.db2.gz MXQLAYWUESDICV-AWEZNQCLSA-N 2 2 346.479 1.335 20 0 EDADLP CN(C(=O)NC[C@@H]1C[C@H]1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656257451 452994067 /nfs/dbraw/zinc/99/40/67/452994067.db2.gz YPQZPKMVJBOQCI-SZMVWBNQSA-N 2 2 334.508 1.842 20 0 EDADLP CN(C(=O)NC[C@@H]1C[C@H]1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656257451 452994072 /nfs/dbraw/zinc/99/40/72/452994072.db2.gz YPQZPKMVJBOQCI-SZMVWBNQSA-N 2 2 334.508 1.842 20 0 EDADLP Brc1cccc2c1OCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000662281989 453006895 /nfs/dbraw/zinc/00/68/95/453006895.db2.gz NEVDGSIIQOIHDE-MFKMUULPSA-N 2 2 327.222 1.851 20 0 EDADLP OCC1([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC[NH2+]CC1 ZINC000662287056 453012628 /nfs/dbraw/zinc/01/26/28/453012628.db2.gz RDDFNECSUXGULL-UHFFFAOYSA-N 2 2 343.221 1.382 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000650850106 453051841 /nfs/dbraw/zinc/05/18/41/453051841.db2.gz HPXFHQDDTMQTLN-HOTGVXAUSA-N 2 2 328.501 1.373 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000650850106 453051851 /nfs/dbraw/zinc/05/18/51/453051851.db2.gz HPXFHQDDTMQTLN-HOTGVXAUSA-N 2 2 328.501 1.373 20 0 EDADLP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662343532 453060893 /nfs/dbraw/zinc/06/08/93/453060893.db2.gz LCISVBJUXUWBDS-UHFFFAOYSA-N 2 2 341.415 1.499 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151161 453083362 /nfs/dbraw/zinc/08/33/62/453083362.db2.gz PPKILIAPPABKHY-IBGZPJMESA-N 3 2 340.556 1.178 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151161 453083371 /nfs/dbraw/zinc/08/33/71/453083371.db2.gz PPKILIAPPABKHY-IBGZPJMESA-N 3 2 340.556 1.178 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666722080 453097629 /nfs/dbraw/zinc/09/76/29/453097629.db2.gz KNJMFOZOEUNXNF-HNNXBMFYSA-N 2 2 339.443 1.690 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666722080 453097634 /nfs/dbraw/zinc/09/76/34/453097634.db2.gz KNJMFOZOEUNXNF-HNNXBMFYSA-N 2 2 339.443 1.690 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103205 453103826 /nfs/dbraw/zinc/10/38/26/453103826.db2.gz IXNWGNNDOZZVIR-IXDOHACOSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103205 453103830 /nfs/dbraw/zinc/10/38/30/453103830.db2.gz IXNWGNNDOZZVIR-IXDOHACOSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102994 453103898 /nfs/dbraw/zinc/10/38/98/453103898.db2.gz ZWFQRJAAQJVKRV-INIZCTEOSA-N 2 2 343.471 1.761 20 0 EDADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102994 453103901 /nfs/dbraw/zinc/10/39/01/453103901.db2.gz ZWFQRJAAQJVKRV-INIZCTEOSA-N 2 2 343.471 1.761 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)C(C)(C)C1 ZINC000652926645 453108411 /nfs/dbraw/zinc/10/84/11/453108411.db2.gz HGZDKWQJPKARKU-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)C(C)(C)C1 ZINC000652926645 453108420 /nfs/dbraw/zinc/10/84/20/453108420.db2.gz HGZDKWQJPKARKU-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256027 453158193 /nfs/dbraw/zinc/15/81/93/453158193.db2.gz IAGQIKOYUHJYCV-LUYZLQTOSA-N 2 2 330.494 1.041 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256027 453158199 /nfs/dbraw/zinc/15/81/99/453158199.db2.gz IAGQIKOYUHJYCV-LUYZLQTOSA-N 2 2 330.494 1.041 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000660285698 453174846 /nfs/dbraw/zinc/17/48/46/453174846.db2.gz FBIWPSFVTPKSLA-INIZCTEOSA-N 2 2 327.432 1.713 20 0 EDADLP Cc1[nH+]c2ccccc2n1Cc1cn(CCN2CC[NH+](C)CC2)nn1 ZINC000656437772 453179545 /nfs/dbraw/zinc/17/95/45/453179545.db2.gz IOZXZHGLGCNTEW-UHFFFAOYSA-N 2 2 339.447 1.232 20 0 EDADLP c1c(C[NH+]2CCN(c3ccccc3)CC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656468767 453204170 /nfs/dbraw/zinc/20/41/70/453204170.db2.gz SBCIMZOSNSEZOW-GOSISDBHSA-N 2 2 326.448 1.525 20 0 EDADLP COC[C@]1(C[NH2+]Cc2c[nH]nc2-c2cccc(OC)c2)CCC[NH2+]1 ZINC000666889899 453217742 /nfs/dbraw/zinc/21/77/42/453217742.db2.gz GHUNAIYVXIVUBU-GOSISDBHSA-N 2 2 330.432 1.944 20 0 EDADLP Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(OC[C@@H]2CCCO2)c1 ZINC000653076477 453255024 /nfs/dbraw/zinc/25/50/24/453255024.db2.gz XLHUVDYUCDKYOC-LSDHHAIUSA-N 2 2 335.448 1.770 20 0 EDADLP Cc1ccc(Cc2nnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s2)cc1 ZINC000653087130 453267971 /nfs/dbraw/zinc/26/79/71/453267971.db2.gz MUMRWEXSLMBXAD-ZDUSSCGKSA-N 2 2 333.461 1.655 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000653088184 453270299 /nfs/dbraw/zinc/27/02/99/453270299.db2.gz UGEBSSIJVUUZHA-ZIAGYGMSSA-N 2 2 339.411 1.601 20 0 EDADLP Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c(OC[C@@H]2CCCO2)c1 ZINC000653099112 453281807 /nfs/dbraw/zinc/28/18/07/453281807.db2.gz FSSHYLWFMWXQOB-DLBZAZTESA-N 2 2 349.475 1.448 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000666973787 453290894 /nfs/dbraw/zinc/29/08/94/453290894.db2.gz BGDBNOXOKXTPEQ-HNNXBMFYSA-N 2 2 329.404 1.397 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000666973787 453290901 /nfs/dbraw/zinc/29/09/01/453290901.db2.gz BGDBNOXOKXTPEQ-HNNXBMFYSA-N 2 2 329.404 1.397 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000653108719 453294306 /nfs/dbraw/zinc/29/43/06/453294306.db2.gz FQZMKOSJMOGWTN-KRWDZBQOSA-N 2 2 328.416 1.878 20 0 EDADLP CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653115051 453302446 /nfs/dbraw/zinc/30/24/46/453302446.db2.gz AVJNRPSQFPFRRT-YOEHRIQHSA-N 2 2 343.475 1.999 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471592 453331681 /nfs/dbraw/zinc/33/16/81/453331681.db2.gz BIIKJKOHCRSYBL-IRXDYDNUSA-N 2 2 341.496 1.104 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471592 453331687 /nfs/dbraw/zinc/33/16/87/453331687.db2.gz BIIKJKOHCRSYBL-IRXDYDNUSA-N 2 2 341.496 1.104 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000653148788 453335483 /nfs/dbraw/zinc/33/54/83/453335483.db2.gz LKFCLPIPPCEFLI-MRXNPFEDSA-N 3 2 342.434 1.134 20 0 EDADLP Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653155507 453346350 /nfs/dbraw/zinc/34/63/50/453346350.db2.gz WVNZRNUWAHJHAZ-HNNXBMFYSA-N 2 2 332.448 1.352 20 0 EDADLP C[C@@H]1CN(CCO)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648872971 453348778 /nfs/dbraw/zinc/34/87/78/453348778.db2.gz NQNYIESNEFXQIO-GOSISDBHSA-N 2 2 347.503 1.660 20 0 EDADLP C[C@@H]1CN(CCO)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648872971 453348788 /nfs/dbraw/zinc/34/87/88/453348788.db2.gz NQNYIESNEFXQIO-GOSISDBHSA-N 2 2 347.503 1.660 20 0 EDADLP Cn1ccc([C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000653156666 453349157 /nfs/dbraw/zinc/34/91/57/453349157.db2.gz HZZOIPFHZLJROM-GDBMZVCRSA-N 2 2 349.866 1.558 20 0 EDADLP C[C@H]1SCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000653175209 453365542 /nfs/dbraw/zinc/36/55/42/453365542.db2.gz QWBDFZRORMHOOU-XOKHGSTOSA-N 2 2 344.484 1.811 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000653180039 453369314 /nfs/dbraw/zinc/36/93/14/453369314.db2.gz HOMRFVLLRZQWKG-HNNXBMFYSA-N 2 2 327.375 1.192 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000655246296 453371174 /nfs/dbraw/zinc/37/11/74/453371174.db2.gz GSSLKBAVYAUBGM-HYVNUMGLSA-N 2 2 325.497 1.580 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000656700795 453378544 /nfs/dbraw/zinc/37/85/44/453378544.db2.gz KXXNNGHGFYWIDE-SFHVURJKSA-N 2 2 339.524 1.848 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000656700795 453378552 /nfs/dbraw/zinc/37/85/52/453378552.db2.gz KXXNNGHGFYWIDE-SFHVURJKSA-N 2 2 339.524 1.848 20 0 EDADLP O=C([C@@H]1C[NH2+]Cc2ccccc21)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703317 453425595 /nfs/dbraw/zinc/42/55/95/453425595.db2.gz GBUDRSJAPFDZOM-LJQANCHMSA-N 2 2 343.471 1.444 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1cccc2[nH]ccc21 ZINC000664826867 453432287 /nfs/dbraw/zinc/43/22/87/453432287.db2.gz AFWPVQUHGHKWDV-UHFFFAOYSA-N 2 2 345.491 1.893 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1cccc2[nH]ccc21 ZINC000664826867 453432294 /nfs/dbraw/zinc/43/22/94/453432294.db2.gz AFWPVQUHGHKWDV-UHFFFAOYSA-N 2 2 345.491 1.893 20 0 EDADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000653248554 453433844 /nfs/dbraw/zinc/43/38/44/453433844.db2.gz WTGFRBGZQGOGNE-SJLPKXTDSA-N 2 2 342.443 1.296 20 0 EDADLP Cc1cc[nH+]cc1Cc1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000664855501 453450350 /nfs/dbraw/zinc/45/03/50/453450350.db2.gz MAVCXEXHQJQRLT-UHFFFAOYSA-N 2 2 343.431 1.459 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C[NH3+])C4(C3)CCOCC4)ccn12 ZINC000662783667 453518076 /nfs/dbraw/zinc/51/80/76/453518076.db2.gz GKRJFCTUMFLLLV-OAHLLOKOSA-N 2 2 328.416 1.470 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000660696710 453520560 /nfs/dbraw/zinc/52/05/60/453520560.db2.gz UPJOBZHSEDSSJF-OAHLLOKOSA-N 2 2 325.497 1.458 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(-n2cnnn2)c1 ZINC000651381419 453520642 /nfs/dbraw/zinc/52/06/42/453520642.db2.gz IJFQOUDAHCZZNK-PBHICJAKSA-N 2 2 330.436 1.160 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(-n2cnnn2)c1 ZINC000651381419 453520647 /nfs/dbraw/zinc/52/06/47/453520647.db2.gz IJFQOUDAHCZZNK-PBHICJAKSA-N 2 2 330.436 1.160 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC000664964818 453521369 /nfs/dbraw/zinc/52/13/69/453521369.db2.gz HHVVOQONNGNNET-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC000664964818 453521373 /nfs/dbraw/zinc/52/13/73/453521373.db2.gz HHVVOQONNGNNET-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662788136 453523196 /nfs/dbraw/zinc/52/31/96/453523196.db2.gz XSROVRJGQOWGRQ-OAHLLOKOSA-N 2 2 327.375 1.145 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662788136 453523201 /nfs/dbraw/zinc/52/32/01/453523201.db2.gz XSROVRJGQOWGRQ-OAHLLOKOSA-N 2 2 327.375 1.145 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000660703718 453528736 /nfs/dbraw/zinc/52/87/36/453528736.db2.gz XPECSMQJEQHYGJ-KRWDZBQOSA-N 2 2 343.475 1.965 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000660703718 453528739 /nfs/dbraw/zinc/52/87/39/453528739.db2.gz XPECSMQJEQHYGJ-KRWDZBQOSA-N 2 2 343.475 1.965 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000660707254 453534580 /nfs/dbraw/zinc/53/45/80/453534580.db2.gz NBOIRKMSTMJVBT-ZNMIVQPWSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000660707254 453534582 /nfs/dbraw/zinc/53/45/82/453534582.db2.gz NBOIRKMSTMJVBT-ZNMIVQPWSA-N 2 2 326.485 1.268 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])ccc2n1C1CC1 ZINC000662810818 453544374 /nfs/dbraw/zinc/54/43/74/453544374.db2.gz DLMDLFXBOPAXMD-YOEHRIQHSA-N 2 2 342.443 1.914 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662857154 453573260 /nfs/dbraw/zinc/57/32/60/453573260.db2.gz GIJDUIIKOCWDKA-UHFFFAOYSA-N 3 2 346.519 1.308 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662857154 453573264 /nfs/dbraw/zinc/57/32/64/453573264.db2.gz GIJDUIIKOCWDKA-UHFFFAOYSA-N 3 2 346.519 1.308 20 0 EDADLP C[C@H](CNC(=O)NCc1ccc[nH+]c1N1CCCC1)[N@@H+](C)C1CC1 ZINC000660855003 453612129 /nfs/dbraw/zinc/61/21/29/453612129.db2.gz IFNZBEDRZMKHJI-CQSZACIVSA-N 2 2 331.464 1.964 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000665271056 453631146 /nfs/dbraw/zinc/63/11/46/453631146.db2.gz GFFURDLNAUBJEU-SJORKVTESA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000665271056 453631149 /nfs/dbraw/zinc/63/11/49/453631149.db2.gz GFFURDLNAUBJEU-SJORKVTESA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000665271056 453631150 /nfs/dbraw/zinc/63/11/50/453631150.db2.gz GFFURDLNAUBJEU-SJORKVTESA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000665271056 453631152 /nfs/dbraw/zinc/63/11/52/453631152.db2.gz GFFURDLNAUBJEU-SJORKVTESA-N 3 2 339.528 1.186 20 0 EDADLP NC(=O)c1csc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665273183 453632269 /nfs/dbraw/zinc/63/22/69/453632269.db2.gz RCWGLRZUPBTNLQ-PXAZEXFGSA-N 2 2 344.440 1.588 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](CCc2nsc3ccccc32)CC1=O ZINC000660911383 453643971 /nfs/dbraw/zinc/64/39/71/453643971.db2.gz GCFGGNQUESBNLR-UHFFFAOYSA-N 2 2 332.473 1.545 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](CCc2nsc3ccccc32)CC1=O ZINC000660911383 453643973 /nfs/dbraw/zinc/64/39/73/453643973.db2.gz GCFGGNQUESBNLR-UHFFFAOYSA-N 2 2 332.473 1.545 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659285284 453700806 /nfs/dbraw/zinc/70/08/06/453700806.db2.gz LPQKDYBVXIXQQX-SZMVWBNQSA-N 2 2 349.475 1.144 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659285284 453700808 /nfs/dbraw/zinc/70/08/08/453700808.db2.gz LPQKDYBVXIXQQX-SZMVWBNQSA-N 2 2 349.475 1.144 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC[C@H]2CCC[NH+](C)C2)cc1 ZINC000665462145 453701394 /nfs/dbraw/zinc/70/13/94/453701394.db2.gz GOTWXOKAQBUHBF-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC[C@H]2CCC[NH+](C)C2)cc1 ZINC000665462145 453701400 /nfs/dbraw/zinc/70/14/00/453701400.db2.gz GOTWXOKAQBUHBF-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000665462145 453701402 /nfs/dbraw/zinc/70/14/02/453701402.db2.gz GOTWXOKAQBUHBF-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000665462145 453701407 /nfs/dbraw/zinc/70/14/07/453701407.db2.gz GOTWXOKAQBUHBF-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000665555639 453747970 /nfs/dbraw/zinc/74/79/70/453747970.db2.gz IDCDFMJCBBSIDH-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000665555639 453747976 /nfs/dbraw/zinc/74/79/76/453747976.db2.gz IDCDFMJCBBSIDH-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP c1nc2n(c1C[NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000657293978 453759097 /nfs/dbraw/zinc/75/90/97/453759097.db2.gz ZAOPTIOESLAPST-UHFFFAOYSA-N 2 2 326.444 1.951 20 0 EDADLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000657293978 453759100 /nfs/dbraw/zinc/75/91/00/453759100.db2.gz ZAOPTIOESLAPST-UHFFFAOYSA-N 3 2 326.444 1.951 20 0 EDADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cnn3c2CCC3)c2ccccc2)CC1 ZINC000657344960 453770235 /nfs/dbraw/zinc/77/02/35/453770235.db2.gz FCNKCNCAOGJQKE-IBGZPJMESA-N 2 2 339.487 1.908 20 0 EDADLP COCc1csc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000657364637 453775405 /nfs/dbraw/zinc/77/54/05/453775405.db2.gz XVFZXCWQMFXFJU-INIZCTEOSA-N 2 2 339.505 1.391 20 0 EDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657371788 453776710 /nfs/dbraw/zinc/77/67/10/453776710.db2.gz NAFVWZBSKCEKJN-MOPGFXCFSA-N 2 2 340.471 1.802 20 0 EDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657371788 453776711 /nfs/dbraw/zinc/77/67/11/453776711.db2.gz NAFVWZBSKCEKJN-MOPGFXCFSA-N 2 2 340.471 1.802 20 0 EDADLP C[NH+](C)CC1CCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)CC1 ZINC000663396993 453788606 /nfs/dbraw/zinc/78/86/06/453788606.db2.gz IYZFCSZPKTXRIG-UHFFFAOYSA-N 2 2 331.468 1.942 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000661397930 453808991 /nfs/dbraw/zinc/80/89/91/453808991.db2.gz RULFVXZIGMRJMS-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000661397930 453808994 /nfs/dbraw/zinc/80/89/94/453808994.db2.gz RULFVXZIGMRJMS-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOc2cccc(Cl)c2)C[C@H](C)O1 ZINC000516174817 486669004 /nfs/dbraw/zinc/66/90/04/486669004.db2.gz ZIKXUZSPFTVGAB-IJEWVQPXSA-N 2 2 342.867 1.779 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOc2cccc(Cl)c2)C[C@H](C)O1 ZINC000516174817 486669007 /nfs/dbraw/zinc/66/90/07/486669007.db2.gz ZIKXUZSPFTVGAB-IJEWVQPXSA-N 2 2 342.867 1.779 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676195617 486686756 /nfs/dbraw/zinc/68/67/56/486686756.db2.gz MVBGVJCAPXLWOK-JKSUJKDBSA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676195617 486686759 /nfs/dbraw/zinc/68/67/59/486686759.db2.gz MVBGVJCAPXLWOK-JKSUJKDBSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676195617 486686762 /nfs/dbraw/zinc/68/67/62/486686762.db2.gz MVBGVJCAPXLWOK-JKSUJKDBSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676195617 486686767 /nfs/dbraw/zinc/68/67/67/486686767.db2.gz MVBGVJCAPXLWOK-JKSUJKDBSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)n2c1 ZINC000676418206 486763764 /nfs/dbraw/zinc/76/37/64/486763764.db2.gz LAOWAJDFBPJSJW-XJKSGUPXSA-N 2 2 338.415 1.660 20 0 EDADLP Cc1cccn2cc(CCNc3cc[nH+]c(N4CCOCC4)n3)[nH+]c12 ZINC000680529341 486801873 /nfs/dbraw/zinc/80/18/73/486801873.db2.gz QDTMYPNWKGXQHK-UHFFFAOYSA-N 2 2 338.415 1.924 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)C1 ZINC000672781518 486798807 /nfs/dbraw/zinc/79/88/07/486798807.db2.gz KNUSCBRFQHWIKW-JKSUJKDBSA-N 2 2 346.475 1.099 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)C1 ZINC000672781518 486798810 /nfs/dbraw/zinc/79/88/10/486798810.db2.gz KNUSCBRFQHWIKW-JKSUJKDBSA-N 2 2 346.475 1.099 20 0 EDADLP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC[C@H]1[NH3+] ZINC000667548623 486839209 /nfs/dbraw/zinc/83/92/09/486839209.db2.gz RATDUZSXWSCEEV-TZMCWYRMSA-N 2 2 343.431 1.406 20 0 EDADLP Cc1cc(C)c(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c(Cl)c1 ZINC000320758856 486958192 /nfs/dbraw/zinc/95/81/92/486958192.db2.gz RQBKDKQSERLPML-UHFFFAOYSA-N 2 2 338.883 1.732 20 0 EDADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c(Cl)c1 ZINC000320758856 486958197 /nfs/dbraw/zinc/95/81/97/486958197.db2.gz RQBKDKQSERLPML-UHFFFAOYSA-N 2 2 338.883 1.732 20 0 EDADLP CN(C(=O)NCC[C@H]1CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681213516 486974518 /nfs/dbraw/zinc/97/45/18/486974518.db2.gz UAJFXYCVJMFXJX-IAGOWNOFSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NCC[C@H]1CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681213516 486974521 /nfs/dbraw/zinc/97/45/21/486974521.db2.gz UAJFXYCVJMFXJX-IAGOWNOFSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NCCOC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214842 486974611 /nfs/dbraw/zinc/97/46/11/486974611.db2.gz KCHBNKCRVBNBFR-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP CN(C(=O)NCCOC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214842 486974620 /nfs/dbraw/zinc/97/46/20/486974620.db2.gz KCHBNKCRVBNBFR-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673517389 487039280 /nfs/dbraw/zinc/03/92/80/487039280.db2.gz VWOOZDROHIAJQD-HUUCEWRRSA-N 2 2 328.416 1.012 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673517389 487039288 /nfs/dbraw/zinc/03/92/88/487039288.db2.gz VWOOZDROHIAJQD-HUUCEWRRSA-N 2 2 328.416 1.012 20 0 EDADLP COc1ccc([C@H](C)[C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000684372997 487040758 /nfs/dbraw/zinc/04/07/58/487040758.db2.gz WBCVNKKHROHJQG-CABCVRRESA-N 2 2 349.475 1.559 20 0 EDADLP Cc1cc(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000673668885 487084545 /nfs/dbraw/zinc/08/45/45/487084545.db2.gz BWGJZKYOVGOEJJ-INIZCTEOSA-N 2 2 346.475 1.645 20 0 EDADLP Cc1cc(C)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000673668885 487084548 /nfs/dbraw/zinc/08/45/48/487084548.db2.gz BWGJZKYOVGOEJJ-INIZCTEOSA-N 2 2 346.475 1.645 20 0 EDADLP O=C(Cn1cc[nH+]c1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000673670659 487085509 /nfs/dbraw/zinc/08/55/09/487085509.db2.gz JMXPDPHADKMSAV-UHFFFAOYSA-N 2 2 328.416 1.156 20 0 EDADLP COc1c[nH+]ccc1N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000684601605 487112796 /nfs/dbraw/zinc/11/27/96/487112796.db2.gz AZUZSXJMRWZFHW-UHFFFAOYSA-N 2 2 337.387 1.393 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2[nH+]1 ZINC000668153567 487120541 /nfs/dbraw/zinc/12/05/41/487120541.db2.gz SHBBHPVKADMXEY-HZPDHXFCSA-N 2 2 343.431 1.706 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000677695166 487153485 /nfs/dbraw/zinc/15/34/85/487153485.db2.gz IFFGRDIRKWTFSX-IXDOHACOSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000677695166 487153487 /nfs/dbraw/zinc/15/34/87/487153487.db2.gz IFFGRDIRKWTFSX-IXDOHACOSA-N 2 2 346.475 1.212 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000678076025 487242369 /nfs/dbraw/zinc/24/23/69/487242369.db2.gz JWKBCQVGDJBYJV-AWEZNQCLSA-N 2 2 325.478 1.907 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000678076025 487242372 /nfs/dbraw/zinc/24/23/72/487242372.db2.gz JWKBCQVGDJBYJV-AWEZNQCLSA-N 2 2 325.478 1.907 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000681929847 487255648 /nfs/dbraw/zinc/25/56/48/487255648.db2.gz ZZJLLEHNCNJLQI-AEFFLSMTSA-N 2 2 343.475 1.384 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000681929847 487255653 /nfs/dbraw/zinc/25/56/53/487255653.db2.gz ZZJLLEHNCNJLQI-AEFFLSMTSA-N 2 2 343.475 1.384 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2[nH]cnc2c1 ZINC000678252586 487274230 /nfs/dbraw/zinc/27/42/30/487274230.db2.gz AUPFESDTJPMWRZ-NVXWUHKLSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2[nH]cnc2c1 ZINC000678252586 487274233 /nfs/dbraw/zinc/27/42/33/487274233.db2.gz AUPFESDTJPMWRZ-NVXWUHKLSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC000678252586 487274237 /nfs/dbraw/zinc/27/42/37/487274237.db2.gz AUPFESDTJPMWRZ-NVXWUHKLSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000678252586 487274241 /nfs/dbraw/zinc/27/42/41/487274241.db2.gz AUPFESDTJPMWRZ-NVXWUHKLSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC000678252586 487274244 /nfs/dbraw/zinc/27/42/44/487274244.db2.gz AUPFESDTJPMWRZ-NVXWUHKLSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC000678252586 487274249 /nfs/dbraw/zinc/27/42/49/487274249.db2.gz AUPFESDTJPMWRZ-NVXWUHKLSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000678252586 487274254 /nfs/dbraw/zinc/27/42/54/487274254.db2.gz AUPFESDTJPMWRZ-NVXWUHKLSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000678252586 487274257 /nfs/dbraw/zinc/27/42/57/487274257.db2.gz AUPFESDTJPMWRZ-NVXWUHKLSA-N 2 2 343.475 1.400 20 0 EDADLP c1ncn(-c2ccccc2C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000678279932 487280697 /nfs/dbraw/zinc/28/06/97/487280697.db2.gz OBJQYHGMLHQQHR-INIZCTEOSA-N 2 2 327.432 1.421 20 0 EDADLP c1ncn(-c2ccccc2C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000678279932 487280699 /nfs/dbraw/zinc/28/06/99/487280699.db2.gz OBJQYHGMLHQQHR-INIZCTEOSA-N 2 2 327.432 1.421 20 0 EDADLP CCn1cnnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000678588119 487339033 /nfs/dbraw/zinc/33/90/33/487339033.db2.gz NBJCBODPYQWHAH-WBVHZDCISA-N 2 2 328.464 1.736 20 0 EDADLP CCn1cnnc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000678588119 487339036 /nfs/dbraw/zinc/33/90/36/487339036.db2.gz NBJCBODPYQWHAH-WBVHZDCISA-N 2 2 328.464 1.736 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn(C(F)F)n1 ZINC000678841996 487370736 /nfs/dbraw/zinc/37/07/36/487370736.db2.gz CHZNKUVBHKVXIC-UHFFFAOYSA-N 2 2 329.395 1.376 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn(C(F)F)n1 ZINC000678841996 487370738 /nfs/dbraw/zinc/37/07/38/487370738.db2.gz CHZNKUVBHKVXIC-UHFFFAOYSA-N 2 2 329.395 1.376 20 0 EDADLP CCC(O)(CC)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000679124267 487394176 /nfs/dbraw/zinc/39/41/76/487394176.db2.gz YTDVXMLTJBZDKG-UHFFFAOYSA-N 2 2 347.503 1.814 20 0 EDADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1F ZINC000679290625 487409622 /nfs/dbraw/zinc/40/96/22/487409622.db2.gz XRVQPPLBEBIKQK-RHSMWYFYSA-N 2 2 340.487 1.935 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675584274 487425460 /nfs/dbraw/zinc/42/54/60/487425460.db2.gz COCWVIPICDNVAI-MRXNPFEDSA-N 2 2 343.431 1.341 20 0 EDADLP CCN(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000682996808 487440351 /nfs/dbraw/zinc/44/03/51/487440351.db2.gz PRKOZUSHHPKIBP-SFHVURJKSA-N 2 2 331.508 1.750 20 0 EDADLP CCN(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000682996808 487440352 /nfs/dbraw/zinc/44/03/52/487440352.db2.gz PRKOZUSHHPKIBP-SFHVURJKSA-N 2 2 331.508 1.750 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000517626171 487444035 /nfs/dbraw/zinc/44/40/35/487444035.db2.gz YNGVBCCVFRCHKL-SQPDSBPRSA-N 2 2 348.487 1.999 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000517626171 487444037 /nfs/dbraw/zinc/44/40/37/487444037.db2.gz YNGVBCCVFRCHKL-SQPDSBPRSA-N 2 2 348.487 1.999 20 0 EDADLP O=c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nc2sccn21 ZINC000670985417 485609042 /nfs/dbraw/zinc/60/90/42/485609042.db2.gz UDYNZEFSTWQOGR-OAHLLOKOSA-N 2 2 348.472 1.443 20 0 EDADLP O=c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nc2sccn21 ZINC000670985417 485609050 /nfs/dbraw/zinc/60/90/50/485609050.db2.gz UDYNZEFSTWQOGR-OAHLLOKOSA-N 2 2 348.472 1.443 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986349 485610335 /nfs/dbraw/zinc/61/03/35/485610335.db2.gz CQBITNAESJIPAI-QZTJIDSGSA-N 2 2 337.508 1.964 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986349 485610341 /nfs/dbraw/zinc/61/03/41/485610341.db2.gz CQBITNAESJIPAI-QZTJIDSGSA-N 2 2 337.508 1.964 20 0 EDADLP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669100300 485654399 /nfs/dbraw/zinc/65/43/99/485654399.db2.gz CZXXCJQDMBTCRL-NVXWUHKLSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669100300 485654403 /nfs/dbraw/zinc/65/44/03/485654403.db2.gz CZXXCJQDMBTCRL-NVXWUHKLSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000345037994 485955684 /nfs/dbraw/zinc/95/56/84/485955684.db2.gz SWIHBWCUKJPXPV-ZRGWGRIASA-N 2 2 347.507 1.792 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000345037994 485955692 /nfs/dbraw/zinc/95/56/92/485955692.db2.gz SWIHBWCUKJPXPV-ZRGWGRIASA-N 2 2 347.507 1.792 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ncoc3-c3ccon3)C2)CC1 ZINC000668638696 485980497 /nfs/dbraw/zinc/98/04/97/485980497.db2.gz ARJIQWSGTLSKNT-GFCCVEGCSA-N 2 2 345.403 1.228 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ncoc3-c3ccon3)C2)CC1 ZINC000668638696 485980501 /nfs/dbraw/zinc/98/05/01/485980501.db2.gz ARJIQWSGTLSKNT-GFCCVEGCSA-N 2 2 345.403 1.228 20 0 EDADLP CCc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000668639910 485982863 /nfs/dbraw/zinc/98/28/63/485982863.db2.gz NRMYBPFRHZSRFN-KRWDZBQOSA-N 2 2 330.476 1.471 20 0 EDADLP CCc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000668639910 485982871 /nfs/dbraw/zinc/98/28/71/485982871.db2.gz NRMYBPFRHZSRFN-KRWDZBQOSA-N 2 2 330.476 1.471 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668666966 486016687 /nfs/dbraw/zinc/01/66/87/486016687.db2.gz PIYYSWZRYUHGQY-OAHLLOKOSA-N 3 2 335.496 1.247 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668666966 486016695 /nfs/dbraw/zinc/01/66/95/486016695.db2.gz PIYYSWZRYUHGQY-OAHLLOKOSA-N 3 2 335.496 1.247 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000668757449 486157715 /nfs/dbraw/zinc/15/77/15/486157715.db2.gz HAACAGQJHDHNMX-OLZOCXBDSA-N 2 2 336.436 1.049 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000668757449 486157721 /nfs/dbraw/zinc/15/77/21/486157721.db2.gz HAACAGQJHDHNMX-OLZOCXBDSA-N 2 2 336.436 1.049 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000669442208 486198964 /nfs/dbraw/zinc/19/89/64/486198964.db2.gz RYNONIXBGYLPGM-JKSUJKDBSA-N 3 2 349.479 1.009 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000669442208 486198970 /nfs/dbraw/zinc/19/89/70/486198970.db2.gz RYNONIXBGYLPGM-JKSUJKDBSA-N 3 2 349.479 1.009 20 0 EDADLP Cn1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(-c2cccnc2)n1 ZINC000668793852 486202722 /nfs/dbraw/zinc/20/27/22/486202722.db2.gz QWEJUZMGYVBDAV-UHFFFAOYSA-N 2 2 337.431 1.538 20 0 EDADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000326707263 486286371 /nfs/dbraw/zinc/28/63/71/486286371.db2.gz OLJQFCYZYMFMDZ-ROUUACIJSA-N 2 2 329.444 1.024 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000671295574 486640299 /nfs/dbraw/zinc/64/02/99/486640299.db2.gz CLDISZXEUNWYLW-IRXDYDNUSA-N 2 2 331.460 1.596 20 0 EDADLP CN(CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc[nH+]cc1 ZINC000679409377 491011368 /nfs/dbraw/zinc/01/13/68/491011368.db2.gz ZTOBATNFSVIOES-MRXNPFEDSA-N 3 2 345.491 1.193 20 0 EDADLP CN(CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cc[nH+]cc1 ZINC000679409377 491011369 /nfs/dbraw/zinc/01/13/69/491011369.db2.gz ZTOBATNFSVIOES-MRXNPFEDSA-N 3 2 345.491 1.193 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)[C@@H](C[NH3+])C1 ZINC000563452760 491186548 /nfs/dbraw/zinc/18/65/48/491186548.db2.gz FPKNIDXYRDKZID-ZDUSSCGKSA-N 2 2 332.433 1.312 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(-c3csnn3)cc2)[C@@H](C[NH3+])C1 ZINC000563452760 491186550 /nfs/dbraw/zinc/18/65/50/491186550.db2.gz FPKNIDXYRDKZID-ZDUSSCGKSA-N 2 2 332.433 1.312 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cn[nH]c1 ZINC000631100981 500929276 /nfs/dbraw/zinc/92/92/76/500929276.db2.gz IBQOFTAQDNWAPG-HNNXBMFYSA-N 2 2 330.432 1.972 20 0 EDADLP CC(C)[NH2+]C1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171907119 527732286 /nfs/dbraw/zinc/73/22/86/527732286.db2.gz DGPKGGGDJNZNHR-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)[NH2+]C1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171907119 527732290 /nfs/dbraw/zinc/73/22/90/527732290.db2.gz DGPKGGGDJNZNHR-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1CCOC ZINC000168061083 529278567 /nfs/dbraw/zinc/27/85/67/529278567.db2.gz ZUKHDEKORVQJHU-ROUUACIJSA-N 2 2 331.460 1.270 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1CCOC ZINC000168061083 529278570 /nfs/dbraw/zinc/27/85/70/529278570.db2.gz ZUKHDEKORVQJHU-ROUUACIJSA-N 2 2 331.460 1.270 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339530169 535073183 /nfs/dbraw/zinc/07/31/83/535073183.db2.gz VWJKIDNPBFWJLI-INIZCTEOSA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339530169 535073184 /nfs/dbraw/zinc/07/31/84/535073184.db2.gz VWJKIDNPBFWJLI-INIZCTEOSA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)(CNC(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000333363316 535109396 /nfs/dbraw/zinc/10/93/96/535109396.db2.gz LKSVELYPAZPWRB-UHFFFAOYSA-N 2 2 338.496 1.272 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnc4cnccn34)CC2)CC1 ZINC000271232895 535156755 /nfs/dbraw/zinc/15/67/55/535156755.db2.gz VFXDAYNDNBKFQD-UHFFFAOYSA-N 2 2 342.491 1.720 20 0 EDADLP CC(C)C[C@H](CNC(=O)N1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000339612843 535308835 /nfs/dbraw/zinc/30/88/35/535308835.db2.gz GFXGXNUYSVCMLH-QGZVFWFLSA-N 2 2 340.512 1.469 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C12CCOCC2 ZINC000346553011 535517328 /nfs/dbraw/zinc/51/73/28/535517328.db2.gz FNYPHLGZJQDJEK-IXDOHACOSA-N 2 2 326.481 1.661 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271710043 535557528 /nfs/dbraw/zinc/55/75/28/535557528.db2.gz XQNDPWLDYDNGOF-CQSZACIVSA-N 2 2 329.404 1.182 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271710043 535557532 /nfs/dbraw/zinc/55/75/32/535557532.db2.gz XQNDPWLDYDNGOF-CQSZACIVSA-N 2 2 329.404 1.182 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000340041552 535564211 /nfs/dbraw/zinc/56/42/11/535564211.db2.gz IMJUZXJKWJXRSV-UHFFFAOYSA-N 2 2 340.493 1.312 20 0 EDADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000048918390 535609462 /nfs/dbraw/zinc/60/94/62/535609462.db2.gz ZZQXOBXUCVNHRM-UHFFFAOYSA-N 2 2 343.431 1.480 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000271722268 536362847 /nfs/dbraw/zinc/36/28/47/536362847.db2.gz RQRDMZRAYYDRDX-MRXNPFEDSA-N 2 2 337.445 1.342 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000271722268 536362849 /nfs/dbraw/zinc/36/28/49/536362849.db2.gz RQRDMZRAYYDRDX-MRXNPFEDSA-N 2 2 337.445 1.342 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[N@H+](C)C1 ZINC000346229004 536773880 /nfs/dbraw/zinc/77/38/80/536773880.db2.gz DAGKVFUOMCFSCW-LSDHHAIUSA-N 2 2 335.452 1.008 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[N@@H+](C)C1 ZINC000346229004 536773887 /nfs/dbraw/zinc/77/38/87/536773887.db2.gz DAGKVFUOMCFSCW-LSDHHAIUSA-N 2 2 335.452 1.008 20 0 EDADLP COC[C@@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000266013314 536785593 /nfs/dbraw/zinc/78/55/93/536785593.db2.gz SWAIWWOYIXABDC-HOTGVXAUSA-N 2 2 333.432 1.361 20 0 EDADLP COC[C@@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000266013314 536785598 /nfs/dbraw/zinc/78/55/98/536785598.db2.gz SWAIWWOYIXABDC-HOTGVXAUSA-N 2 2 333.432 1.361 20 0 EDADLP COC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000262217608 536863274 /nfs/dbraw/zinc/86/32/74/536863274.db2.gz FJTWSDCDQCJXAA-HOTGVXAUSA-N 2 2 335.448 1.312 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000743169329 579472021 /nfs/dbraw/zinc/47/20/21/579472021.db2.gz IHYUVKYWKNGPKB-OAHLLOKOSA-N 2 2 344.463 1.729 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000726255346 578338917 /nfs/dbraw/zinc/33/89/17/578338917.db2.gz UOXFGFJJSYNHMN-FUHWJXTLSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000726255346 578338918 /nfs/dbraw/zinc/33/89/18/578338918.db2.gz UOXFGFJJSYNHMN-FUHWJXTLSA-N 2 2 348.491 1.179 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000727226678 578523122 /nfs/dbraw/zinc/52/31/22/578523122.db2.gz GPWVIFWUXQTDQU-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000727226678 578523124 /nfs/dbraw/zinc/52/31/24/578523124.db2.gz GPWVIFWUXQTDQU-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H]1CC1(Cl)Cl ZINC000729930559 578602955 /nfs/dbraw/zinc/60/29/55/578602955.db2.gz URSIXPOFFBAMSS-MCIONIFRSA-N 2 2 336.307 1.517 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H]1CC1(Cl)Cl ZINC000729930559 578602957 /nfs/dbraw/zinc/60/29/57/578602957.db2.gz URSIXPOFFBAMSS-MCIONIFRSA-N 2 2 336.307 1.517 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000729930559 578602959 /nfs/dbraw/zinc/60/29/59/578602959.db2.gz URSIXPOFFBAMSS-MCIONIFRSA-N 2 2 336.307 1.517 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000729930559 578602960 /nfs/dbraw/zinc/60/29/60/578602960.db2.gz URSIXPOFFBAMSS-MCIONIFRSA-N 2 2 336.307 1.517 20 0 EDADLP C[C@H](CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[NH+]1CCCCC1 ZINC000730064984 578612191 /nfs/dbraw/zinc/61/21/91/578612191.db2.gz UNMROVMRAUQMRQ-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP Cc1cc2[nH+]cn(CN3CC[NH+](CCC(=O)N(C)C)CC3)c2cc1C ZINC000760415624 580030315 /nfs/dbraw/zinc/03/03/15/580030315.db2.gz UYPGRTZSBJYPPB-UHFFFAOYSA-N 2 2 343.475 1.707 20 0 EDADLP C[C@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000732201200 578697144 /nfs/dbraw/zinc/69/71/44/578697144.db2.gz OCTCOWGOZBNUND-PKOBYXMFSA-N 2 2 333.476 1.058 20 0 EDADLP C[C@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000732201200 578697145 /nfs/dbraw/zinc/69/71/45/578697145.db2.gz OCTCOWGOZBNUND-PKOBYXMFSA-N 2 2 333.476 1.058 20 0 EDADLP c1cnc2c(c1)cccc2C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000732197212 578698128 /nfs/dbraw/zinc/69/81/28/578698128.db2.gz XHGIYFUEISOYBU-UHFFFAOYSA-N 2 2 340.471 1.685 20 0 EDADLP Cc1cc(C)n(CCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000732565389 578718595 /nfs/dbraw/zinc/71/85/95/578718595.db2.gz XZTYKFKVBLGFOL-SFHVURJKSA-N 2 2 347.507 1.517 20 0 EDADLP Cc1cc(C)n(CCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000732565389 578718596 /nfs/dbraw/zinc/71/85/96/578718596.db2.gz XZTYKFKVBLGFOL-SFHVURJKSA-N 2 2 347.507 1.517 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)C1 ZINC000734486504 578816361 /nfs/dbraw/zinc/81/63/61/578816361.db2.gz COMMJQAMKXCCDR-CRAIPNDOSA-N 2 2 339.430 1.710 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)C1 ZINC000734486504 578816362 /nfs/dbraw/zinc/81/63/62/578816362.db2.gz COMMJQAMKXCCDR-CRAIPNDOSA-N 2 2 339.430 1.710 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2occc2Br)C1 ZINC000735322400 578876131 /nfs/dbraw/zinc/87/61/31/578876131.db2.gz GJGSGNFRGKKHAD-LLVKDONJSA-N 2 2 344.253 1.719 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2occc2Br)C1 ZINC000735322400 578876133 /nfs/dbraw/zinc/87/61/33/578876133.db2.gz GJGSGNFRGKKHAD-LLVKDONJSA-N 2 2 344.253 1.719 20 0 EDADLP C[C@](CO)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000735561743 578898823 /nfs/dbraw/zinc/89/88/23/578898823.db2.gz CPJKPRBHOVAFMK-HZPDHXFCSA-N 2 2 346.393 1.959 20 0 EDADLP CC=CC[C@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000761183791 580050628 /nfs/dbraw/zinc/05/06/28/580050628.db2.gz JHJHXRXDTBMPJL-MJSXRHKHSA-N 2 2 334.464 1.432 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543284 580444137 /nfs/dbraw/zinc/44/41/37/580444137.db2.gz YPYNXLPAHPIICA-AEFFLSMTSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543284 580444138 /nfs/dbraw/zinc/44/41/38/580444138.db2.gz YPYNXLPAHPIICA-AEFFLSMTSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543284 580444139 /nfs/dbraw/zinc/44/41/39/580444139.db2.gz YPYNXLPAHPIICA-AEFFLSMTSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543284 580444140 /nfs/dbraw/zinc/44/41/40/580444140.db2.gz YPYNXLPAHPIICA-AEFFLSMTSA-N 2 2 347.503 1.922 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cccc(F)n3)CC2)CC1 ZINC000747961571 579664595 /nfs/dbraw/zinc/66/45/95/579664595.db2.gz KVXIEQMLRIMVHM-UHFFFAOYSA-N 2 2 349.454 1.579 20 0 EDADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)c3ccc(F)cc3C2=O)CC1 ZINC000749019984 579710458 /nfs/dbraw/zinc/71/04/58/579710458.db2.gz ZPRSBXDYGIZRBY-UHFFFAOYSA-N 2 2 349.406 1.422 20 0 EDADLP CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000750037045 579749477 /nfs/dbraw/zinc/74/94/77/579749477.db2.gz URVMXHGABWKMDI-CQSZACIVSA-N 2 2 349.460 1.029 20 0 EDADLP CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000750037045 579749479 /nfs/dbraw/zinc/74/94/79/579749479.db2.gz URVMXHGABWKMDI-CQSZACIVSA-N 2 2 349.460 1.029 20 0 EDADLP O=C(OCCC[NH+]1CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000750891881 579786391 /nfs/dbraw/zinc/78/63/91/579786391.db2.gz VYVWRXMTCVGHLH-GOSISDBHSA-N 2 2 348.443 1.153 20 0 EDADLP O=C(OCCC[NH+]1CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000750891881 579786392 /nfs/dbraw/zinc/78/63/92/579786392.db2.gz VYVWRXMTCVGHLH-GOSISDBHSA-N 2 2 348.443 1.153 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000752109168 579838580 /nfs/dbraw/zinc/83/85/80/579838580.db2.gz YCJBOIFRJGWYRT-OAHLLOKOSA-N 2 2 328.416 1.661 20 0 EDADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000762787526 580083227 /nfs/dbraw/zinc/08/32/27/580083227.db2.gz MTHVTDIBEUVABU-NHYWBVRUSA-N 2 2 348.415 1.400 20 0 EDADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000762787526 580083228 /nfs/dbraw/zinc/08/32/28/580083228.db2.gz MTHVTDIBEUVABU-NHYWBVRUSA-N 2 2 348.415 1.400 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@H](C3CC3)CC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763329940 580097916 /nfs/dbraw/zinc/09/79/16/580097916.db2.gz ALYWUXHVJOWVRH-KBAYOESNSA-N 2 2 334.508 1.160 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@H](C3CC3)CC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763329940 580097917 /nfs/dbraw/zinc/09/79/17/580097917.db2.gz ALYWUXHVJOWVRH-KBAYOESNSA-N 2 2 334.508 1.160 20 0 EDADLP CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000763342858 580098121 /nfs/dbraw/zinc/09/81/21/580098121.db2.gz XRTXVRDVXCBFKB-KZNAEPCWSA-N 2 2 336.524 1.406 20 0 EDADLP CC(C)[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000763342858 580098122 /nfs/dbraw/zinc/09/81/22/580098122.db2.gz XRTXVRDVXCBFKB-KZNAEPCWSA-N 2 2 336.524 1.406 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCOC[C@@H]3CCO)c2cc1C ZINC000767589508 580193890 /nfs/dbraw/zinc/19/38/90/580193890.db2.gz CNGAEAJCOCBACI-HOTGVXAUSA-N 2 2 333.432 1.097 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCOC[C@@H]3CCO)c2cc1C ZINC000767589508 580193891 /nfs/dbraw/zinc/19/38/91/580193891.db2.gz CNGAEAJCOCBACI-HOTGVXAUSA-N 2 2 333.432 1.097 20 0 EDADLP C[NH+](C)CCOC1CC[NH+](Cn2ccc(Br)n2)CC1 ZINC000767969186 580204447 /nfs/dbraw/zinc/20/44/47/580204447.db2.gz FXSFUCRBNHNDRZ-UHFFFAOYSA-N 2 2 331.258 1.646 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000770028974 580251506 /nfs/dbraw/zinc/25/15/06/580251506.db2.gz SFKHDHYHVYAVPU-CYBMUJFWSA-N 2 2 333.436 1.368 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000770028974 580251507 /nfs/dbraw/zinc/25/15/07/580251507.db2.gz SFKHDHYHVYAVPU-CYBMUJFWSA-N 2 2 333.436 1.368 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc2[nH+]ccn21 ZINC000770428301 580260187 /nfs/dbraw/zinc/26/01/87/580260187.db2.gz WOTIYZQFJFYDFG-AWEZNQCLSA-N 2 2 328.416 1.565 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780330605 580518726 /nfs/dbraw/zinc/51/87/26/580518726.db2.gz KVYDUCGJVRSRRE-IBGZPJMESA-N 3 2 339.524 1.268 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C\c3cccc(O)c3)C2)CC1 ZINC000780672402 580530874 /nfs/dbraw/zinc/53/08/74/580530874.db2.gz YAWABNLUVKYMNG-OGZRUICASA-N 2 2 329.444 1.690 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C\c3cccc(O)c3)C2)CC1 ZINC000780672402 580530875 /nfs/dbraw/zinc/53/08/75/580530875.db2.gz YAWABNLUVKYMNG-OGZRUICASA-N 2 2 329.444 1.690 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000783646986 580603335 /nfs/dbraw/zinc/60/33/35/580603335.db2.gz NUJBWUJWNNJKGE-INIZCTEOSA-N 2 2 346.475 1.656 20 0 EDADLP CCOC(=O)CC[N@H+](CC1CC1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783978625 580609886 /nfs/dbraw/zinc/60/98/86/580609886.db2.gz XZGSAXDXHBGSCS-HNNXBMFYSA-N 2 2 348.447 1.359 20 0 EDADLP CCOC(=O)CC[N@@H+](CC1CC1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783978625 580609887 /nfs/dbraw/zinc/60/98/87/580609887.db2.gz XZGSAXDXHBGSCS-HNNXBMFYSA-N 2 2 348.447 1.359 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000783984696 580610263 /nfs/dbraw/zinc/61/02/63/580610263.db2.gz OFWCHCBMRKFQET-QGZVFWFLSA-N 3 2 345.491 1.501 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000783995558 580611134 /nfs/dbraw/zinc/61/11/34/580611134.db2.gz KRVISRZSNNTYNE-IAGOWNOFSA-N 2 2 345.491 1.501 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000785830864 580654358 /nfs/dbraw/zinc/65/43/58/580654358.db2.gz ICBLSYUUMGFWBJ-CQSZACIVSA-N 2 2 328.416 1.660 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000785830864 580654359 /nfs/dbraw/zinc/65/43/59/580654359.db2.gz ICBLSYUUMGFWBJ-CQSZACIVSA-N 2 2 328.416 1.660 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000786233656 580664749 /nfs/dbraw/zinc/66/47/49/580664749.db2.gz XOAGDVFASGQBEU-MRXNPFEDSA-N 2 2 348.491 1.311 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000786233656 580664750 /nfs/dbraw/zinc/66/47/50/580664750.db2.gz XOAGDVFASGQBEU-MRXNPFEDSA-N 2 2 348.491 1.311 20 0 EDADLP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000787676836 580701516 /nfs/dbraw/zinc/70/15/16/580701516.db2.gz RQPFYIAEACSZTF-HNNXBMFYSA-N 2 2 327.469 1.698 20 0 EDADLP CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000789518461 580748334 /nfs/dbraw/zinc/74/83/34/580748334.db2.gz GFMVXJRMRDUTHO-GJZGRUSLSA-N 2 2 347.463 1.074 20 0 EDADLP CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000789518461 580748335 /nfs/dbraw/zinc/74/83/35/580748335.db2.gz GFMVXJRMRDUTHO-GJZGRUSLSA-N 2 2 347.463 1.074 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cc[nH]c(=O)c1 ZINC000791139130 580784953 /nfs/dbraw/zinc/78/49/53/580784953.db2.gz XLFIGJXVCDSXKO-OAHLLOKOSA-N 2 2 342.447 1.440 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000791260287 580787689 /nfs/dbraw/zinc/78/76/89/580787689.db2.gz UEBVIVVRUWNOOH-GJZGRUSLSA-N 2 2 329.379 1.526 20 0 EDADLP CNC(=O)C1([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000795954976 580942134 /nfs/dbraw/zinc/94/21/34/580942134.db2.gz MWWYVNFALZNKED-UHFFFAOYSA-N 2 2 344.503 1.847 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cscc2Br)CC1 ZINC000796282532 580949941 /nfs/dbraw/zinc/94/99/41/580949941.db2.gz OAQNOMDMGSOHJX-UHFFFAOYSA-N 2 2 332.267 1.374 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000893072255 590648138 /nfs/dbraw/zinc/64/81/38/590648138.db2.gz ZVLMHHUMZSCOCD-HUUCEWRRSA-N 2 2 341.496 1.990 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000893103155 590661542 /nfs/dbraw/zinc/66/15/42/590661542.db2.gz LNDCZUGCBQZQDX-OAHLLOKOSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000893103155 590661546 /nfs/dbraw/zinc/66/15/46/590661546.db2.gz LNDCZUGCBQZQDX-OAHLLOKOSA-N 2 2 327.432 1.926 20 0 EDADLP OCc1c[nH+]ccc1NC[C@@H](c1cccc(F)c1)[NH+]1CCOCC1 ZINC000892040079 590766790 /nfs/dbraw/zinc/76/67/90/590766790.db2.gz XBEPOZNWFGINGK-SFHVURJKSA-N 2 2 331.391 1.620 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892079823 590787922 /nfs/dbraw/zinc/78/79/22/590787922.db2.gz LSGSKZJHFBOJJI-DJIMGWMZSA-N 2 2 327.432 1.922 20 0 EDADLP CC(C)OCC[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893564710 590963248 /nfs/dbraw/zinc/96/32/48/590963248.db2.gz FNGJRYHIFKPQMQ-UHFFFAOYSA-N 2 2 329.485 1.990 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000893627202 591018228 /nfs/dbraw/zinc/01/82/28/591018228.db2.gz WOCKLNOBMCYXRA-SWLSCSKDSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000893627202 591018232 /nfs/dbraw/zinc/01/82/32/591018232.db2.gz WOCKLNOBMCYXRA-SWLSCSKDSA-N 2 2 327.432 1.925 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892513901 591055035 /nfs/dbraw/zinc/05/50/35/591055035.db2.gz OUURCPRQLYFSKR-HIFRSBDPSA-N 2 2 349.504 1.514 20 0 EDADLP CCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000891357521 591057948 /nfs/dbraw/zinc/05/79/48/591057948.db2.gz FQMHHNGHUNRHJS-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891364493 591061992 /nfs/dbraw/zinc/06/19/92/591061992.db2.gz VITXAOSPMCLKKR-KRWDZBQOSA-N 2 2 339.443 1.897 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[NH+](CC3CCOCC3)CC2)nc[nH+]1 ZINC000892603890 591090914 /nfs/dbraw/zinc/09/09/14/591090914.db2.gz UKWZZKHLXMCYKK-MRXNPFEDSA-N 2 2 349.479 1.208 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nc[nH+]1 ZINC000893960430 591149624 /nfs/dbraw/zinc/14/96/24/591149624.db2.gz SJOMWMYAVOYZKW-CABCVRRESA-N 2 2 333.480 1.970 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nc[nH+]1 ZINC000893960430 591149626 /nfs/dbraw/zinc/14/96/26/591149626.db2.gz SJOMWMYAVOYZKW-CABCVRRESA-N 2 2 333.480 1.970 20 0 EDADLP CN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CCC[N@H+](C)C1 ZINC000892731706 591152067 /nfs/dbraw/zinc/15/20/67/591152067.db2.gz SMTBNOYAZAJABI-NSHDSACASA-N 2 2 333.358 1.681 20 0 EDADLP CN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CCC[N@@H+](C)C1 ZINC000892731706 591152071 /nfs/dbraw/zinc/15/20/71/591152071.db2.gz SMTBNOYAZAJABI-NSHDSACASA-N 2 2 333.358 1.681 20 0 EDADLP COc1nccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1F ZINC000892749634 591158454 /nfs/dbraw/zinc/15/84/54/591158454.db2.gz CVTAMVCIBIHRFV-UHFFFAOYSA-N 2 2 345.422 1.666 20 0 EDADLP CC(C)C[C@H](O)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892750722 591159394 /nfs/dbraw/zinc/15/93/94/591159394.db2.gz WWAGWJNHESJBSR-INIZCTEOSA-N 2 2 343.512 1.972 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@H+](CCO)CCCO)c2c1OC(F)(F)O2 ZINC000894020163 591168273 /nfs/dbraw/zinc/16/82/73/591168273.db2.gz DSYMAXOHNUPZOJ-UHFFFAOYSA-N 2 2 346.374 1.246 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@@H+](CCO)CCCO)c2c1OC(F)(F)O2 ZINC000894020163 591168277 /nfs/dbraw/zinc/16/82/77/591168277.db2.gz DSYMAXOHNUPZOJ-UHFFFAOYSA-N 2 2 346.374 1.246 20 0 EDADLP COCCOC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000894031988 591171642 /nfs/dbraw/zinc/17/16/42/591171642.db2.gz QVMPGPKEQTZYLZ-HKUYNNGSSA-N 2 2 336.476 1.919 20 0 EDADLP COCCOC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000894031988 591171643 /nfs/dbraw/zinc/17/16/43/591171643.db2.gz QVMPGPKEQTZYLZ-HKUYNNGSSA-N 2 2 336.476 1.919 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891680770 591181768 /nfs/dbraw/zinc/18/17/68/591181768.db2.gz ADQPNPLOWLOSBM-HNNXBMFYSA-N 2 2 343.431 1.292 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(C(F)(F)F)nc1 ZINC000892816776 591190143 /nfs/dbraw/zinc/19/01/43/591190143.db2.gz BMMUHLBIGGHHBH-PWSUYJOCSA-N 2 2 345.369 1.446 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(C(F)(F)F)nc1 ZINC000892816776 591190146 /nfs/dbraw/zinc/19/01/46/591190146.db2.gz BMMUHLBIGGHHBH-PWSUYJOCSA-N 2 2 345.369 1.446 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000891709346 591195545 /nfs/dbraw/zinc/19/55/45/591195545.db2.gz QCVIWPUOPCOQAT-CABCVRRESA-N 2 2 331.464 1.738 20 0 EDADLP CC(C)([NH3+])CCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000892861241 591205969 /nfs/dbraw/zinc/20/59/69/591205969.db2.gz RAEIBCVTWJVJMZ-UHFFFAOYSA-N 2 2 344.463 1.289 20 0 EDADLP CCNC(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000891768553 591217591 /nfs/dbraw/zinc/21/75/91/591217591.db2.gz YGRIZXBIGMQRJO-UHFFFAOYSA-N 2 2 331.464 1.701 20 0 EDADLP CCNC(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000891768553 591217593 /nfs/dbraw/zinc/21/75/93/591217593.db2.gz YGRIZXBIGMQRJO-UHFFFAOYSA-N 2 2 331.464 1.701 20 0 EDADLP C[NH+]1CCN(c2ccc(N[C@@H]3CCOC4(CCOCC4)C3)[nH+]c2)CC1 ZINC000894200696 591225251 /nfs/dbraw/zinc/22/52/51/591225251.db2.gz UJDAUUGPOREIRI-MRXNPFEDSA-N 2 2 346.475 1.974 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000894200107 591225373 /nfs/dbraw/zinc/22/53/73/591225373.db2.gz JEWMAZVVDSNBMR-ZDUSSCGKSA-N 2 2 331.416 1.501 20 0 EDADLP CN(C)c1[nH+]cc(CN2CC[NH+](CCCOC(C)(C)C)CC2)n1C ZINC000895644890 591240250 /nfs/dbraw/zinc/24/02/50/591240250.db2.gz HKXMQWULZDDXIY-UHFFFAOYSA-N 2 2 337.512 1.809 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000895661081 591242707 /nfs/dbraw/zinc/24/27/07/591242707.db2.gz BPAWITJWEIWEOT-HOTGVXAUSA-N 2 2 329.448 1.527 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000895661081 591242710 /nfs/dbraw/zinc/24/27/10/591242710.db2.gz BPAWITJWEIWEOT-HOTGVXAUSA-N 2 2 329.448 1.527 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)C1C[NH+](C2CCOCC2)C1 ZINC000895855423 591288558 /nfs/dbraw/zinc/28/85/58/591288558.db2.gz RROBPITXJVCTIJ-UHFFFAOYSA-N 2 2 340.427 1.599 20 0 EDADLP C[C@H]1C[N@H+](Cc2c3c(nn2C)CCOC3)CCN1c1cc[nH+]cc1 ZINC000896003142 591323480 /nfs/dbraw/zinc/32/34/80/591323480.db2.gz TVUHHQSLSYHAHA-AWEZNQCLSA-N 2 2 327.432 1.599 20 0 EDADLP Cc1cc(N)nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)[nH+]1 ZINC000894493962 591325916 /nfs/dbraw/zinc/32/59/16/591325916.db2.gz XMBMTZWYBVZDEM-CVEARBPZSA-N 2 2 325.416 1.457 20 0 EDADLP Cc1cc(N)nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)[nH+]1 ZINC000894493962 591325919 /nfs/dbraw/zinc/32/59/19/591325919.db2.gz XMBMTZWYBVZDEM-CVEARBPZSA-N 2 2 325.416 1.457 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n[nH]1 ZINC000896132784 591357883 /nfs/dbraw/zinc/35/78/83/591357883.db2.gz LEZCXRULHSFYJU-IUODEOHRSA-N 2 2 328.420 1.919 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n[nH]1 ZINC000896132784 591357887 /nfs/dbraw/zinc/35/78/87/591357887.db2.gz LEZCXRULHSFYJU-IUODEOHRSA-N 2 2 328.420 1.919 20 0 EDADLP O=C([C@@H](C[NH2+]Cc1c[nH+]c[nH]1)Cc1cccc(F)c1)N1CCOCC1 ZINC000894596128 591362944 /nfs/dbraw/zinc/36/29/44/591362944.db2.gz UGPYLQSYYGFXBG-OAHLLOKOSA-N 2 2 346.406 1.356 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000897408159 591368867 /nfs/dbraw/zinc/36/88/67/591368867.db2.gz MCZAVCKYDQSAPX-RHSMWYFYSA-N 2 2 349.500 1.674 20 0 EDADLP CC[C@@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)[C@@H](C)O ZINC000894735464 591399187 /nfs/dbraw/zinc/39/91/87/591399187.db2.gz NQCUEQSVBMJJRX-UKRRQHHQSA-N 2 2 329.485 1.725 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCc2cn(C)c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000894885495 591456605 /nfs/dbraw/zinc/45/66/05/591456605.db2.gz PZTZLXQCIIMJTL-PBHICJAKSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCc2cn(C)c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000894885495 591456606 /nfs/dbraw/zinc/45/66/06/591456606.db2.gz PZTZLXQCIIMJTL-PBHICJAKSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@@H]1[C@@H](NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000896552307 591517151 /nfs/dbraw/zinc/51/71/51/591517151.db2.gz ACUJODWFMKBSSE-ZBFHGGJFSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1[C@@H](NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000896552307 591517153 /nfs/dbraw/zinc/51/71/53/591517153.db2.gz ACUJODWFMKBSSE-ZBFHGGJFSA-N 2 2 340.512 1.658 20 0 EDADLP COCC[C@@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)NC(=O)OC(C)(C)C ZINC000897620060 591592660 /nfs/dbraw/zinc/59/26/60/591592660.db2.gz FQCZUWIXWPJAGO-RLFYNMQTSA-N 2 2 341.496 1.800 20 0 EDADLP COCC[C@@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)NC(=O)OC(C)(C)C ZINC000897620060 591592663 /nfs/dbraw/zinc/59/26/63/591592663.db2.gz FQCZUWIXWPJAGO-RLFYNMQTSA-N 2 2 341.496 1.800 20 0 EDADLP COCC[C@@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)NC(=O)OC(C)(C)C ZINC000897620060 591592667 /nfs/dbraw/zinc/59/26/67/591592667.db2.gz FQCZUWIXWPJAGO-RLFYNMQTSA-N 2 2 341.496 1.800 20 0 EDADLP COCC[C@@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)NC(=O)OC(C)(C)C ZINC000897620060 591592671 /nfs/dbraw/zinc/59/26/71/591592671.db2.gz FQCZUWIXWPJAGO-RLFYNMQTSA-N 2 2 341.496 1.800 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CO1 ZINC000895125951 591602369 /nfs/dbraw/zinc/60/23/69/591602369.db2.gz WPSHKLDOGUQICF-DZGCQCFKSA-N 2 2 327.469 1.743 20 0 EDADLP CO[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163777 591712588 /nfs/dbraw/zinc/71/25/88/591712588.db2.gz JQQIFLHDAJJYNF-JYJNAYRXSA-N 2 2 330.432 1.112 20 0 EDADLP CO[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163777 591712592 /nfs/dbraw/zinc/71/25/92/591712592.db2.gz JQQIFLHDAJJYNF-JYJNAYRXSA-N 2 2 330.432 1.112 20 0 EDADLP CCc1[nH]c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1C(=O)OC ZINC000895354823 591725786 /nfs/dbraw/zinc/72/57/86/591725786.db2.gz SGQKRZIZKOCWIL-UHFFFAOYSA-N 2 2 331.420 1.419 20 0 EDADLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000899252744 591746176 /nfs/dbraw/zinc/74/61/76/591746176.db2.gz IXMSQXIXCWCTSU-MRAWALMUSA-N 2 2 331.391 1.341 20 0 EDADLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000899252744 591746177 /nfs/dbraw/zinc/74/61/77/591746177.db2.gz IXMSQXIXCWCTSU-MRAWALMUSA-N 2 2 331.391 1.341 20 0 EDADLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000899252744 591746179 /nfs/dbraw/zinc/74/61/79/591746179.db2.gz IXMSQXIXCWCTSU-MRAWALMUSA-N 2 2 331.391 1.341 20 0 EDADLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000899252744 591746180 /nfs/dbraw/zinc/74/61/80/591746180.db2.gz IXMSQXIXCWCTSU-MRAWALMUSA-N 2 2 331.391 1.341 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000898109953 591786016 /nfs/dbraw/zinc/78/60/16/591786016.db2.gz BTSVWHOGCBKBOK-SFHVURJKSA-N 2 2 337.508 1.474 20 0 EDADLP C(C[NH+]1CCC([NH2+][C@H]2CCOC23CCCC3)CC1)N1CCOCC1 ZINC000898109953 591786019 /nfs/dbraw/zinc/78/60/19/591786019.db2.gz BTSVWHOGCBKBOK-SFHVURJKSA-N 2 2 337.508 1.474 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C(=O)[C@@H]2C[C@]2(C(C)C)C1=O ZINC000902172363 591938637 /nfs/dbraw/zinc/93/86/37/591938637.db2.gz GYXPJVYGGKDBHF-RLFYNMQTSA-N 2 2 330.432 1.645 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1C(=O)[C@@H]2C[C@]2(C(C)C)C1=O ZINC000902172363 591938639 /nfs/dbraw/zinc/93/86/39/591938639.db2.gz GYXPJVYGGKDBHF-RLFYNMQTSA-N 2 2 330.432 1.645 20 0 EDADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nnc(-c4cscn4)n3)C2)CC1 ZINC000902201760 591944515 /nfs/dbraw/zinc/94/45/15/591944515.db2.gz QYCOUYBEQFYXSQ-CYBMUJFWSA-N 2 2 333.465 1.418 20 0 EDADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nnc(-c4cscn4)n3)C2)CC1 ZINC000902201760 591944516 /nfs/dbraw/zinc/94/45/16/591944516.db2.gz QYCOUYBEQFYXSQ-CYBMUJFWSA-N 2 2 333.465 1.418 20 0 EDADLP C/C(=C\C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900216875 591946822 /nfs/dbraw/zinc/94/68/22/591946822.db2.gz YLSBGSOYUGVPGT-SOGDLCAJSA-N 2 2 337.508 1.893 20 0 EDADLP C/C(=C\C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900216875 591946826 /nfs/dbraw/zinc/94/68/26/591946826.db2.gz YLSBGSOYUGVPGT-SOGDLCAJSA-N 2 2 337.508 1.893 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900284291 591971411 /nfs/dbraw/zinc/97/14/11/591971411.db2.gz QXZKTEMCDHDMJD-FAEJEUNOSA-N 2 2 348.491 1.835 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)C1([NH3+])CC1 ZINC000902317074 591976712 /nfs/dbraw/zinc/97/67/12/591976712.db2.gz TVGOCBLLKSDVLR-LBPRGKRZSA-N 2 2 325.478 1.733 20 0 EDADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000902437421 591995825 /nfs/dbraw/zinc/99/58/25/591995825.db2.gz HOYOYCWCNOECPE-SSKCKEOISA-N 2 2 331.441 1.609 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902442508 591996539 /nfs/dbraw/zinc/99/65/39/591996539.db2.gz IVMOHKGKOFOOKK-UKRRQHHQSA-N 2 2 339.480 1.154 20 0 EDADLP C[C@@H]1CCc2c(sc3ncnc(N4CC[NH2+]CC[NH2+]CC4)c23)C1 ZINC000900369334 591998857 /nfs/dbraw/zinc/99/88/57/591998857.db2.gz GPAYUKFVAGBNLB-GFCCVEGCSA-N 2 2 331.489 1.815 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000902516595 592009445 /nfs/dbraw/zinc/00/94/45/592009445.db2.gz DSUCPHCQOUOSCN-WOPDTQHZSA-N 2 2 325.844 1.535 20 0 EDADLP C/C(=C\C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900405610 592009758 /nfs/dbraw/zinc/00/97/58/592009758.db2.gz JFWLOUXNIAHQQY-UMEYKSNOSA-N 2 2 345.487 1.992 20 0 EDADLP CCCCNc1cc(N2CC[NH2+]CCC23CCOCC3)nc(N)[nH+]1 ZINC000900423216 592014718 /nfs/dbraw/zinc/01/47/18/592014718.db2.gz UNWIRRDBXNDKIJ-UHFFFAOYSA-N 2 2 334.468 1.620 20 0 EDADLP Cn1c[nH+]cc1CCCO[NH+]=C(N)[C@H]1CCC(=O)N(CC2CCC2)C1 ZINC000902614158 592026260 /nfs/dbraw/zinc/02/62/60/592026260.db2.gz RZDMASAUVDAVML-HNNXBMFYSA-N 2 2 347.463 1.890 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000900540841 592051514 /nfs/dbraw/zinc/05/15/14/592051514.db2.gz NLXXDLLCLXHAFI-QGZVFWFLSA-N 2 2 347.507 1.922 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000900540784 592051890 /nfs/dbraw/zinc/05/18/90/592051890.db2.gz MKHLCZHHFDQZDE-GJZGRUSLSA-N 2 2 348.447 1.391 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000900540784 592051892 /nfs/dbraw/zinc/05/18/92/592051892.db2.gz MKHLCZHHFDQZDE-GJZGRUSLSA-N 2 2 348.447 1.391 20 0 EDADLP C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902745407 592055847 /nfs/dbraw/zinc/05/58/47/592055847.db2.gz NTTYADUBDOUZBM-AWEZNQCLSA-N 2 2 336.461 1.804 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cn(C)nn1 ZINC000902765958 592058872 /nfs/dbraw/zinc/05/88/72/592058872.db2.gz CZIIQZKYKNTBNN-HNNXBMFYSA-N 2 2 345.447 1.377 20 0 EDADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cn(C)nn1 ZINC000902789690 592064491 /nfs/dbraw/zinc/06/44/91/592064491.db2.gz MDZMTCPQMBXHPG-MAUKXSAKSA-N 2 2 328.464 1.454 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000900667014 592086076 /nfs/dbraw/zinc/08/60/76/592086076.db2.gz KYKTXKDMYSGWHS-RDJZCZTQSA-N 2 2 341.496 1.007 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000900674697 592090781 /nfs/dbraw/zinc/09/07/81/592090781.db2.gz MEIXDXURAUBRLE-UHFFFAOYSA-N 2 2 341.415 1.417 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000900674697 592090784 /nfs/dbraw/zinc/09/07/84/592090784.db2.gz MEIXDXURAUBRLE-UHFFFAOYSA-N 2 2 341.415 1.417 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nnc(-c2ccco2)o1 ZINC000900691813 592096471 /nfs/dbraw/zinc/09/64/71/592096471.db2.gz BERNCNIBPWGPMU-UHFFFAOYSA-N 2 2 347.419 1.428 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nnc(-c2ccco2)o1 ZINC000900691813 592096474 /nfs/dbraw/zinc/09/64/74/592096474.db2.gz BERNCNIBPWGPMU-UHFFFAOYSA-N 2 2 347.419 1.428 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903083563 592117479 /nfs/dbraw/zinc/11/74/79/592117479.db2.gz JCWZJQISNLHYGD-IBGZPJMESA-N 2 2 349.450 1.657 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH2+]CC[N@H+](C)CCOCCO ZINC000903089961 592118450 /nfs/dbraw/zinc/11/84/50/592118450.db2.gz XTFYVFHXXQEJKJ-BEFAXECRSA-N 2 2 336.476 1.849 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH2+]CC[N@@H+](C)CCOCCO ZINC000903089961 592118452 /nfs/dbraw/zinc/11/84/52/592118452.db2.gz XTFYVFHXXQEJKJ-BEFAXECRSA-N 2 2 336.476 1.849 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCO[C@@]23CCOC3)CCC[N@@H+]1C ZINC000903167491 592132583 /nfs/dbraw/zinc/13/25/83/592132583.db2.gz ZFQIXCXTVVAFTC-DZOHQFGASA-N 2 2 334.464 1.341 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCO[C@@]23CCOC3)CCC[N@H+]1C ZINC000903167491 592132584 /nfs/dbraw/zinc/13/25/84/592132584.db2.gz ZFQIXCXTVVAFTC-DZOHQFGASA-N 2 2 334.464 1.341 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCO[C@]23CCOC3)CCC[N@@H+]1C ZINC000903167492 592132704 /nfs/dbraw/zinc/13/27/04/592132704.db2.gz ZFQIXCXTVVAFTC-HPBDAGMYSA-N 2 2 334.464 1.341 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCO[C@]23CCOC3)CCC[N@H+]1C ZINC000903167492 592132706 /nfs/dbraw/zinc/13/27/06/592132706.db2.gz ZFQIXCXTVVAFTC-HPBDAGMYSA-N 2 2 334.464 1.341 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@]2(CO)COCCN2C)CCC[N@@H+]1Cc1ccccc1 ZINC000903277743 592150167 /nfs/dbraw/zinc/15/01/67/592150167.db2.gz JBKQFTVCLQBINO-HOJAQTOUSA-N 2 2 347.503 1.322 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@]2(CO)COCCN2C)CCC[N@H+]1Cc1ccccc1 ZINC000903277743 592150168 /nfs/dbraw/zinc/15/01/68/592150168.db2.gz JBKQFTVCLQBINO-HOJAQTOUSA-N 2 2 347.503 1.322 20 0 EDADLP CC[N@@H+]1CCC[C@H](C[NH+](C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000903463692 592172317 /nfs/dbraw/zinc/17/23/17/592172317.db2.gz JCBCZCJHTVYEGL-VXIBKDFQSA-N 3 2 333.524 1.980 20 0 EDADLP CC[N@H+]1CCC[C@H](C[NH+](C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000903463692 592172319 /nfs/dbraw/zinc/17/23/19/592172319.db2.gz JCBCZCJHTVYEGL-VXIBKDFQSA-N 3 2 333.524 1.980 20 0 EDADLP CC[NH+]1CCC[C@H](C[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000903463692 592172321 /nfs/dbraw/zinc/17/23/21/592172321.db2.gz JCBCZCJHTVYEGL-VXIBKDFQSA-N 3 2 333.524 1.980 20 0 EDADLP CC[NH+]1CCC[C@H](C[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000903463692 592172324 /nfs/dbraw/zinc/17/23/24/592172324.db2.gz JCBCZCJHTVYEGL-VXIBKDFQSA-N 3 2 333.524 1.980 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903472741 592175820 /nfs/dbraw/zinc/17/58/20/592175820.db2.gz VVMMPDUQAUALAR-CZUORRHYSA-N 2 2 345.443 1.352 20 0 EDADLP COC(=O)[C@H](c1ccsc1)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492454 592185176 /nfs/dbraw/zinc/18/51/76/592185176.db2.gz DXBJLWFVVUZCKQ-ZWUHOBOKSA-N 2 2 338.429 1.175 20 0 EDADLP COC(=O)[C@H](c1ccsc1)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492454 592185179 /nfs/dbraw/zinc/18/51/79/592185179.db2.gz DXBJLWFVVUZCKQ-ZWUHOBOKSA-N 2 2 338.429 1.175 20 0 EDADLP C[NH2+]CC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C ZINC000903573089 592225871 /nfs/dbraw/zinc/22/58/71/592225871.db2.gz PWTTVWQONRPDPJ-UHFFFAOYSA-N 2 2 348.491 1.782 20 0 EDADLP C[NH2+]CC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C(C)C ZINC000903573089 592225874 /nfs/dbraw/zinc/22/58/74/592225874.db2.gz PWTTVWQONRPDPJ-UHFFFAOYSA-N 2 2 348.491 1.782 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc(N)nn3)CCC[NH+]2C)cn1 ZINC000904347769 592236057 /nfs/dbraw/zinc/23/60/57/592236057.db2.gz JZQKILZEOPSQEI-SUMWQHHRSA-N 2 2 329.452 1.307 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc(N)nn3)CCC[NH+]2C)cn1 ZINC000904347769 592236064 /nfs/dbraw/zinc/23/60/64/592236064.db2.gz JZQKILZEOPSQEI-SUMWQHHRSA-N 2 2 329.452 1.307 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(N)nn3)CCC[N@@H+]2C)cn1 ZINC000904347769 592236070 /nfs/dbraw/zinc/23/60/70/592236070.db2.gz JZQKILZEOPSQEI-SUMWQHHRSA-N 2 2 329.452 1.307 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(N)nn3)CCC[N@H+]2C)cn1 ZINC000904347769 592236073 /nfs/dbraw/zinc/23/60/73/592236073.db2.gz JZQKILZEOPSQEI-SUMWQHHRSA-N 2 2 329.452 1.307 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904385003 592248579 /nfs/dbraw/zinc/24/85/79/592248579.db2.gz RMKUDAZJYRZXCD-VHDGCEQUSA-N 2 2 331.420 1.241 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000904384754 592248603 /nfs/dbraw/zinc/24/86/03/592248603.db2.gz NEPLOLZPCMXHIA-KBXCAEBGSA-N 2 2 345.447 1.572 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000901184796 592267780 /nfs/dbraw/zinc/26/77/80/592267780.db2.gz DMOJZUVYEYBVSL-GOSISDBHSA-N 2 2 345.447 1.075 20 0 EDADLP C/C=C/[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201291 592283606 /nfs/dbraw/zinc/28/36/06/592283606.db2.gz OBAJSDYGJWZVCE-YQBWCRNHSA-N 2 2 337.508 1.719 20 0 EDADLP C/C=C/[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201291 592283609 /nfs/dbraw/zinc/28/36/09/592283609.db2.gz OBAJSDYGJWZVCE-YQBWCRNHSA-N 2 2 337.508 1.719 20 0 EDADLP Cc1cccc([C@@H]2C(=O)NCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903765511 592308883 /nfs/dbraw/zinc/30/88/83/592308883.db2.gz IXEAHUTWGODVBY-ZWKOTPCHSA-N 2 2 343.471 1.627 20 0 EDADLP Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903765511 592308887 /nfs/dbraw/zinc/30/88/87/592308887.db2.gz IXEAHUTWGODVBY-ZWKOTPCHSA-N 2 2 343.471 1.627 20 0 EDADLP Cc1[nH+]c(N)ccc1-c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000904768700 592325442 /nfs/dbraw/zinc/32/54/42/592325442.db2.gz KVJCQGDXPRZDFB-UHFFFAOYSA-N 2 2 332.429 1.233 20 0 EDADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC1 ZINC000903812662 592331417 /nfs/dbraw/zinc/33/14/17/592331417.db2.gz VSYRSSVENLCTQL-FHWLQOOXSA-N 3 2 331.504 1.901 20 0 EDADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC1 ZINC000903812662 592331420 /nfs/dbraw/zinc/33/14/20/592331420.db2.gz VSYRSSVENLCTQL-FHWLQOOXSA-N 3 2 331.504 1.901 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000903858691 592348394 /nfs/dbraw/zinc/34/83/94/592348394.db2.gz YCURTHUBABTRHG-XOBRGWDASA-N 2 2 338.455 1.866 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000903858691 592348400 /nfs/dbraw/zinc/34/84/00/592348400.db2.gz YCURTHUBABTRHG-XOBRGWDASA-N 2 2 338.455 1.866 20 0 EDADLP Fc1ccccc1N1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903872057 592354052 /nfs/dbraw/zinc/35/40/52/592354052.db2.gz CBWSXHXDMSMZNS-OAHLLOKOSA-N 2 2 344.438 1.664 20 0 EDADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000903878699 592358519 /nfs/dbraw/zinc/35/85/19/592358519.db2.gz WPUKDSUSFOPVEZ-HOCLYGCPSA-N 2 2 343.431 1.474 20 0 EDADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000903878699 592358522 /nfs/dbraw/zinc/35/85/22/592358522.db2.gz WPUKDSUSFOPVEZ-HOCLYGCPSA-N 2 2 343.431 1.474 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903894953 592366186 /nfs/dbraw/zinc/36/61/86/592366186.db2.gz IRNVUIOUEXNOKP-DLBZAZTESA-N 3 2 332.496 1.653 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903894953 592366192 /nfs/dbraw/zinc/36/61/92/592366192.db2.gz IRNVUIOUEXNOKP-DLBZAZTESA-N 3 2 332.496 1.653 20 0 EDADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cnccn1 ZINC000906821802 592372555 /nfs/dbraw/zinc/37/25/55/592372555.db2.gz BHUIPPRJTBKQHT-INIZCTEOSA-N 2 2 345.491 1.647 20 0 EDADLP CCO[C@H]1[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@@H]1C ZINC000906823687 592373912 /nfs/dbraw/zinc/37/39/12/592373912.db2.gz OZQQQLCRNYEFIZ-GVDBMIGSSA-N 2 2 337.508 1.724 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c(-c2cccnc2)n1 ZINC000903974100 592397159 /nfs/dbraw/zinc/39/71/59/592397159.db2.gz LQOIBICXYMDREJ-KRWDZBQOSA-N 2 2 341.459 1.730 20 0 EDADLP O=C1NCC2(CC[NH+](CC34CC(C3)C[NH2+]4)CC2)Oc2ccccc21 ZINC000903986080 592405293 /nfs/dbraw/zinc/40/52/93/592405293.db2.gz FMZTXIOJARPWJQ-UHFFFAOYSA-N 2 2 327.428 1.395 20 0 EDADLP O=C(CNc1cccc[nH+]1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000908320550 592432327 /nfs/dbraw/zinc/43/23/27/592432327.db2.gz DPMMPZSRBRMMHQ-MRXNPFEDSA-N 2 2 326.400 1.699 20 0 EDADLP O=C(CNc1cccc[nH+]1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000908320550 592432328 /nfs/dbraw/zinc/43/23/28/592432328.db2.gz DPMMPZSRBRMMHQ-MRXNPFEDSA-N 2 2 326.400 1.699 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CC[C@H]([NH+](C)C)[C@@H]3C)co2)C1 ZINC000908414664 592486582 /nfs/dbraw/zinc/48/65/82/592486582.db2.gz KIBNHDAPDSDACK-YDHLFZDLSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CC[C@H]([NH+](C)C)[C@@H]3C)co2)C1 ZINC000908414664 592486583 /nfs/dbraw/zinc/48/65/83/592486583.db2.gz KIBNHDAPDSDACK-YDHLFZDLSA-N 2 2 336.436 1.060 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CCCCN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905362190 592506353 /nfs/dbraw/zinc/50/63/53/592506353.db2.gz MOUBWYLJYMFYFB-CQSZACIVSA-N 2 2 326.466 1.277 20 0 EDADLP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000905331632 592507802 /nfs/dbraw/zinc/50/78/02/592507802.db2.gz ORXPXIDZWRQVJC-UHFFFAOYSA-N 2 2 343.518 1.195 20 0 EDADLP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000908607107 592552063 /nfs/dbraw/zinc/55/20/63/592552063.db2.gz XSBVNJZEVPKKFJ-CQSZACIVSA-N 2 2 347.450 1.315 20 0 EDADLP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000908607107 592552067 /nfs/dbraw/zinc/55/20/67/592552067.db2.gz XSBVNJZEVPKKFJ-CQSZACIVSA-N 2 2 347.450 1.315 20 0 EDADLP CCC1([NH+]2CCC2)CCN(C(=S)NCC[NH+]2CCOCC2)CC1 ZINC000905584103 592581334 /nfs/dbraw/zinc/58/13/34/592581334.db2.gz LPAAWMZQSHCPBG-UHFFFAOYSA-N 2 2 340.537 1.143 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c(C)c1 ZINC000905620583 592587808 /nfs/dbraw/zinc/58/78/08/592587808.db2.gz UKWJYVMNQSPVPD-RTBURBONSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c(C)c1 ZINC000905620583 592587811 /nfs/dbraw/zinc/58/78/11/592587811.db2.gz UKWJYVMNQSPVPD-RTBURBONSA-N 2 2 348.487 1.886 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000905709337 592619050 /nfs/dbraw/zinc/61/90/50/592619050.db2.gz KUFSPGAIMGPWSU-MNEFBYGVSA-N 2 2 346.471 1.727 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000905709337 592619052 /nfs/dbraw/zinc/61/90/52/592619052.db2.gz KUFSPGAIMGPWSU-MNEFBYGVSA-N 2 2 346.471 1.727 20 0 EDADLP [NH3+][C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[C@@H]1C(F)(F)F ZINC000905721188 592628934 /nfs/dbraw/zinc/62/89/34/592628934.db2.gz ZANKXCWTEUFNOL-GRYCIOLGSA-N 2 2 345.369 1.154 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000907432347 592647387 /nfs/dbraw/zinc/64/73/87/592647387.db2.gz OMUNKMUMPWWALA-QGZVFWFLSA-N 2 2 348.491 1.423 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000907432347 592647390 /nfs/dbraw/zinc/64/73/90/592647390.db2.gz OMUNKMUMPWWALA-QGZVFWFLSA-N 2 2 348.491 1.423 20 0 EDADLP CCc1ccc([C@H](C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)[NH+](C)C)cc1 ZINC000905878922 592678494 /nfs/dbraw/zinc/67/84/94/592678494.db2.gz ZQJYNNFILBRVHD-CEXWTWQISA-N 2 2 336.476 1.344 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000907558326 592707613 /nfs/dbraw/zinc/70/76/13/592707613.db2.gz GJLWNYWVLMZCDX-QGZVFWFLSA-N 2 2 347.507 1.368 20 0 EDADLP CC(=O)CCn1cc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)nn1 ZINC000906264289 592777924 /nfs/dbraw/zinc/77/79/24/592777924.db2.gz YSQWITRQUCVVGO-MRXNPFEDSA-N 2 2 342.447 1.895 20 0 EDADLP CC(=O)CCn1cc(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)nn1 ZINC000906264289 592777928 /nfs/dbraw/zinc/77/79/28/592777928.db2.gz YSQWITRQUCVVGO-MRXNPFEDSA-N 2 2 342.447 1.895 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)ccc2n1[C@H](C)CO ZINC000909289328 592791400 /nfs/dbraw/zinc/79/14/00/592791400.db2.gz PALHYRBOYHCSFJ-VZSAFFHGSA-N 2 2 346.431 1.292 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)ccc2n1[C@H](C)CO ZINC000909289328 592791402 /nfs/dbraw/zinc/79/14/02/592791402.db2.gz PALHYRBOYHCSFJ-VZSAFFHGSA-N 2 2 346.431 1.292 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C1 ZINC000910284114 592820886 /nfs/dbraw/zinc/82/08/86/592820886.db2.gz PIIKNWRVYBBIET-INIZCTEOSA-N 2 2 347.507 1.575 20 0 EDADLP CC[N@H+]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C1 ZINC000910284114 592820889 /nfs/dbraw/zinc/82/08/89/592820889.db2.gz PIIKNWRVYBBIET-INIZCTEOSA-N 2 2 347.507 1.575 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000910609596 592877958 /nfs/dbraw/zinc/87/79/58/592877958.db2.gz KFDXXDRSTRKZAX-OAHLLOKOSA-N 2 2 349.479 1.093 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)F)[C@H](C[NH3+])C1 ZINC000911877694 593029413 /nfs/dbraw/zinc/02/94/13/593029413.db2.gz CDWMSHBPEKUMMW-IUODEOHRSA-N 2 2 337.370 1.197 20 0 EDADLP COc1ccc(CN(Cc2ccccc2)C(=O)C[NH2+]CC[NH3+])cc1 ZINC000912495396 593099330 /nfs/dbraw/zinc/09/93/30/593099330.db2.gz LBIBZRNGVJOHFG-UHFFFAOYSA-N 2 2 327.428 1.772 20 0 EDADLP CC[NH+]1CCN(CC(=O)N(Cc2[nH]cc[nH+]2)c2cncc(C)c2)CC1 ZINC000912530580 593103429 /nfs/dbraw/zinc/10/34/29/593103429.db2.gz HHSLTOCWQIMOKL-UHFFFAOYSA-N 2 2 342.447 1.284 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000808220282 593241697 /nfs/dbraw/zinc/24/16/97/593241697.db2.gz BWDZAQWLQPEAAI-AWEZNQCLSA-N 2 2 330.432 1.172 20 0 EDADLP COC(=O)C[C@]1([NH2+]Cc2ncc(C[NH+](C)C)s2)CCCOC1 ZINC000809642938 593351745 /nfs/dbraw/zinc/35/17/45/593351745.db2.gz BVDTWUSEWRIUEW-OAHLLOKOSA-N 2 2 327.450 1.407 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000840020478 593382304 /nfs/dbraw/zinc/38/23/04/593382304.db2.gz CBZKCPDCZAYWHL-WMEZAQDKSA-N 2 2 344.459 1.894 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000840020478 593382307 /nfs/dbraw/zinc/38/23/07/593382307.db2.gz CBZKCPDCZAYWHL-WMEZAQDKSA-N 2 2 344.459 1.894 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=S)NCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000758272363 593399408 /nfs/dbraw/zinc/39/94/08/593399408.db2.gz IWXUNNHZCOYMKB-SJORKVTESA-N 2 2 348.516 1.228 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=S)NCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000758272363 593399411 /nfs/dbraw/zinc/39/94/11/593399411.db2.gz IWXUNNHZCOYMKB-SJORKVTESA-N 2 2 348.516 1.228 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)n1C ZINC000813338191 593527780 /nfs/dbraw/zinc/52/77/80/593527780.db2.gz ZTEMBXXUKFVDRC-ZFWWWQNUSA-N 2 2 332.452 1.165 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)n1C ZINC000813338191 593527781 /nfs/dbraw/zinc/52/77/81/593527781.db2.gz ZTEMBXXUKFVDRC-ZFWWWQNUSA-N 2 2 332.452 1.165 20 0 EDADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000815593910 593643737 /nfs/dbraw/zinc/64/37/37/593643737.db2.gz AVLNRXPBHSLLPI-NVXWUHKLSA-N 2 2 349.450 1.718 20 0 EDADLP O=C1CCCN1c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817897620 593646848 /nfs/dbraw/zinc/64/68/48/593646848.db2.gz UARUJPWBNJMZPS-MJGOQNOKSA-N 2 2 329.444 1.670 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000817929642 593649874 /nfs/dbraw/zinc/64/98/74/593649874.db2.gz JNLJJKROGFZXCR-DOTOQJQBSA-N 2 2 340.489 1.001 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000819018209 593734147 /nfs/dbraw/zinc/73/41/47/593734147.db2.gz QTASOVBBGYTLQK-PBHICJAKSA-N 2 2 338.448 1.438 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000819018209 593734148 /nfs/dbraw/zinc/73/41/48/593734148.db2.gz QTASOVBBGYTLQK-PBHICJAKSA-N 2 2 338.448 1.438 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000819057125 593736192 /nfs/dbraw/zinc/73/61/92/593736192.db2.gz RRJHHMVVVWJYNL-KSFYIVLOSA-N 2 2 326.506 1.616 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000819153794 593741669 /nfs/dbraw/zinc/74/16/69/593741669.db2.gz NIIWUBYGTSUEOC-YUELXQCFSA-N 2 2 327.469 1.334 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000819153794 593741670 /nfs/dbraw/zinc/74/16/70/593741670.db2.gz NIIWUBYGTSUEOC-YUELXQCFSA-N 2 2 327.469 1.334 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000820079175 593789084 /nfs/dbraw/zinc/78/90/84/593789084.db2.gz HIIUSEASJQEABI-YSHGAJCASA-N 2 2 336.439 1.692 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000820079175 593789085 /nfs/dbraw/zinc/78/90/85/593789085.db2.gz HIIUSEASJQEABI-YSHGAJCASA-N 2 2 336.439 1.692 20 0 EDADLP O[C@@H](C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683139 593833951 /nfs/dbraw/zinc/83/39/51/593833951.db2.gz YXHYLOAXTGELKL-HOTGVXAUSA-N 2 2 339.403 1.434 20 0 EDADLP O[C@@H](C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683139 593833953 /nfs/dbraw/zinc/83/39/53/593833953.db2.gz YXHYLOAXTGELKL-HOTGVXAUSA-N 2 2 339.403 1.434 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000824958344 594105446 /nfs/dbraw/zinc/10/54/46/594105446.db2.gz WDHKGSGTCCQPSU-STQMWFEESA-N 2 2 339.402 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000824958344 594105448 /nfs/dbraw/zinc/10/54/48/594105448.db2.gz WDHKGSGTCCQPSU-STQMWFEESA-N 2 2 339.402 1.486 20 0 EDADLP CC(C)C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)n1cc[nH+]c1 ZINC000825146746 594136237 /nfs/dbraw/zinc/13/62/37/594136237.db2.gz GXHAUQQXGLWHAG-KURKYZTESA-N 3 2 349.523 1.668 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)Cc3ccc[nH+]c3N2C1 ZINC000825258045 594157068 /nfs/dbraw/zinc/15/70/68/594157068.db2.gz IIJXVONCZDCZLI-HYVNUMGLSA-N 2 2 344.459 1.359 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)Cc3ccc[nH+]c3N2C1 ZINC000825258045 594157070 /nfs/dbraw/zinc/15/70/70/594157070.db2.gz IIJXVONCZDCZLI-HYVNUMGLSA-N 2 2 344.459 1.359 20 0 EDADLP CCCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000825709922 594230285 /nfs/dbraw/zinc/23/02/85/594230285.db2.gz WCIAXRJDPBJXDN-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP CCCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000825709922 594230288 /nfs/dbraw/zinc/23/02/88/594230288.db2.gz WCIAXRJDPBJXDN-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(c3nc(N)[nH+]c4c3CCCC4)CC2)S1 ZINC000825776963 594243975 /nfs/dbraw/zinc/24/39/75/594243975.db2.gz WSEXFTCELBRRRX-LLVKDONJSA-N 2 2 332.477 1.551 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1C ZINC000827970909 594312969 /nfs/dbraw/zinc/31/29/69/594312969.db2.gz PBTLQCPPPPMRDG-OAHLLOKOSA-N 2 2 343.431 1.758 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826159733 594354530 /nfs/dbraw/zinc/35/45/30/594354530.db2.gz PZTZPZYRMVIXSP-OCCSQVGLSA-N 2 2 348.426 1.767 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826159733 594354532 /nfs/dbraw/zinc/35/45/32/594354532.db2.gz PZTZPZYRMVIXSP-OCCSQVGLSA-N 2 2 348.426 1.767 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000826169275 594360418 /nfs/dbraw/zinc/36/04/18/594360418.db2.gz MXHWXTSAPKSRKY-GDBMZVCRSA-N 2 2 342.447 1.791 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000826169275 594360420 /nfs/dbraw/zinc/36/04/20/594360420.db2.gz MXHWXTSAPKSRKY-GDBMZVCRSA-N 2 2 342.447 1.791 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000826169275 594360422 /nfs/dbraw/zinc/36/04/22/594360422.db2.gz MXHWXTSAPKSRKY-GDBMZVCRSA-N 2 2 342.447 1.791 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000826169275 594360424 /nfs/dbraw/zinc/36/04/24/594360424.db2.gz MXHWXTSAPKSRKY-GDBMZVCRSA-N 2 2 342.447 1.791 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]1 ZINC000826262434 594403009 /nfs/dbraw/zinc/40/30/09/594403009.db2.gz OQUJJYZBUWIGPW-AWEZNQCLSA-N 2 2 343.435 1.544 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000830550627 594420277 /nfs/dbraw/zinc/42/02/77/594420277.db2.gz ZYYKKGMARTXVNV-QUCCMNQESA-N 2 2 342.487 1.837 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000830550627 594420279 /nfs/dbraw/zinc/42/02/79/594420279.db2.gz ZYYKKGMARTXVNV-QUCCMNQESA-N 2 2 342.487 1.837 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000826372379 594449749 /nfs/dbraw/zinc/44/97/49/594449749.db2.gz TXGQCAQDPTZDFZ-UHFFFAOYSA-N 2 2 342.382 1.025 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC000826565756 594528743 /nfs/dbraw/zinc/52/87/43/594528743.db2.gz YFJSGCIQHUSHQC-SFHVURJKSA-N 2 2 331.460 1.408 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC000826565756 594528744 /nfs/dbraw/zinc/52/87/44/594528744.db2.gz YFJSGCIQHUSHQC-SFHVURJKSA-N 2 2 331.460 1.408 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)CC[C@H]21 ZINC000827233006 594655070 /nfs/dbraw/zinc/65/50/70/594655070.db2.gz NZQDNPLBJIXBON-XJKSGUPXSA-N 2 2 326.400 1.744 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)CC[C@H]21 ZINC000827233006 594655071 /nfs/dbraw/zinc/65/50/71/594655071.db2.gz NZQDNPLBJIXBON-XJKSGUPXSA-N 2 2 326.400 1.744 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000827464094 594674691 /nfs/dbraw/zinc/67/46/91/594674691.db2.gz SKBGVXGXKREVAI-JKSUJKDBSA-N 2 2 325.416 1.519 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000832778948 594775998 /nfs/dbraw/zinc/77/59/98/594775998.db2.gz RAXUFWZFBDTYPD-OAHLLOKOSA-N 2 2 337.430 1.792 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000832778948 594775999 /nfs/dbraw/zinc/77/59/99/594775999.db2.gz RAXUFWZFBDTYPD-OAHLLOKOSA-N 2 2 337.430 1.792 20 0 EDADLP Ic1ccccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841098873 594850925 /nfs/dbraw/zinc/85/09/25/594850925.db2.gz JNAYJFANKUAXLB-LLVKDONJSA-N 2 2 332.185 1.369 20 0 EDADLP C[C@H]1CC[N@H+](CN2C(=O)c3cccc(N)c3C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000121513231 594930331 /nfs/dbraw/zinc/93/03/31/594930331.db2.gz MOYDSQYRCUUCPL-WFASDCNBSA-N 2 2 339.399 1.602 20 0 EDADLP C[C@H]1CC[N@@H+](CN2C(=O)c3cccc(N)c3C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000121513231 594930332 /nfs/dbraw/zinc/93/03/32/594930332.db2.gz MOYDSQYRCUUCPL-WFASDCNBSA-N 2 2 339.399 1.602 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000841759938 594948290 /nfs/dbraw/zinc/94/82/90/594948290.db2.gz CBORQFHLYDJEAJ-GOSISDBHSA-N 2 2 332.448 1.992 20 0 EDADLP C[NH+]1CCN(c2ccnc(-c3noc([C@@H]([NH3+])CC(F)F)n3)c2)CC1 ZINC000843208761 595036235 /nfs/dbraw/zinc/03/62/35/595036235.db2.gz KYOONJPCJKQUQT-NSHDSACASA-N 2 2 338.362 1.538 20 0 EDADLP CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000834303438 595086857 /nfs/dbraw/zinc/08/68/57/595086857.db2.gz BDAWBJQUJPBGMM-AEFFLSMTSA-N 2 2 342.443 1.052 20 0 EDADLP CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000834303438 595086859 /nfs/dbraw/zinc/08/68/59/595086859.db2.gz BDAWBJQUJPBGMM-AEFFLSMTSA-N 2 2 342.443 1.052 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc(=O)oc2c1 ZINC000843387636 595097479 /nfs/dbraw/zinc/09/74/79/595097479.db2.gz SSNHNODBOVYZKP-GUYCJALGSA-N 2 2 341.411 1.935 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc(=O)oc2c1 ZINC000843387636 595097483 /nfs/dbraw/zinc/09/74/83/595097483.db2.gz SSNHNODBOVYZKP-GUYCJALGSA-N 2 2 341.411 1.935 20 0 EDADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842475680 595115151 /nfs/dbraw/zinc/11/51/51/595115151.db2.gz AGRAMMLUCKYAOU-BQVMBELUSA-N 2 2 331.420 1.572 20 0 EDADLP CC[NH2+]CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000843488732 595127497 /nfs/dbraw/zinc/12/74/97/595127497.db2.gz MYSWUVPGOFHDPE-UHFFFAOYSA-N 2 2 349.866 1.632 20 0 EDADLP CC[NH2+]CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000843488732 595127499 /nfs/dbraw/zinc/12/74/99/595127499.db2.gz MYSWUVPGOFHDPE-UHFFFAOYSA-N 2 2 349.866 1.632 20 0 EDADLP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000843495375 595130717 /nfs/dbraw/zinc/13/07/17/595130717.db2.gz MTTWOMKSOYTTLK-XJKSGUPXSA-N 2 2 329.366 1.965 20 0 EDADLP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000843495375 595130720 /nfs/dbraw/zinc/13/07/20/595130720.db2.gz MTTWOMKSOYTTLK-XJKSGUPXSA-N 2 2 329.366 1.965 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cccc3[nH+]ccn31)C2 ZINC000846124460 595149952 /nfs/dbraw/zinc/14/99/52/595149952.db2.gz PVZACPCFQMSYEM-CYBMUJFWSA-N 2 2 339.399 1.119 20 0 EDADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867411065 595201156 /nfs/dbraw/zinc/20/11/56/595201156.db2.gz IQGVMEOQNNNRFT-WBVHZDCISA-N 2 2 328.416 1.566 20 0 EDADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867411065 595201159 /nfs/dbraw/zinc/20/11/59/595201159.db2.gz IQGVMEOQNNNRFT-WBVHZDCISA-N 2 2 328.416 1.566 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(-n3cc[nH+]c3)nc1)CCO2 ZINC000844096058 595271028 /nfs/dbraw/zinc/27/10/28/595271028.db2.gz DWFYEIRJJYVEDV-UHFFFAOYSA-N 2 2 341.415 1.204 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000844166557 595288844 /nfs/dbraw/zinc/28/88/44/595288844.db2.gz DUHOBPNNXSCULE-NVXWUHKLSA-N 2 2 346.406 1.533 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000844167345 595289282 /nfs/dbraw/zinc/28/92/82/595289282.db2.gz DDFRGIVHZHQCRP-WBVHZDCISA-N 2 2 346.406 1.533 20 0 EDADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846836148 595323890 /nfs/dbraw/zinc/32/38/90/595323890.db2.gz OZKHRXOMHOCDLM-WDEREUQCSA-N 2 2 347.444 1.397 20 0 EDADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846836148 595323891 /nfs/dbraw/zinc/32/38/91/595323891.db2.gz OZKHRXOMHOCDLM-WDEREUQCSA-N 2 2 347.444 1.397 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)CC1=O ZINC000844382616 595334790 /nfs/dbraw/zinc/33/47/90/595334790.db2.gz ZDJMPIUZWHFJLV-OAHLLOKOSA-N 2 2 331.416 1.172 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)CC1=O ZINC000844382616 595334792 /nfs/dbraw/zinc/33/47/92/595334792.db2.gz ZDJMPIUZWHFJLV-OAHLLOKOSA-N 2 2 331.416 1.172 20 0 EDADLP CC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000846952761 595342197 /nfs/dbraw/zinc/34/21/97/595342197.db2.gz QHQRNSYCZUJOTN-UHFFFAOYSA-N 2 2 349.500 1.693 20 0 EDADLP CC(C)(C)OC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000844693966 595374691 /nfs/dbraw/zinc/37/46/91/595374691.db2.gz FLACDJPDBOZSCK-GJZGRUSLSA-N 2 2 348.447 1.668 20 0 EDADLP CC(C)(C)OC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000844693966 595374693 /nfs/dbraw/zinc/37/46/93/595374693.db2.gz FLACDJPDBOZSCK-GJZGRUSLSA-N 2 2 348.447 1.668 20 0 EDADLP C[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563610 595406043 /nfs/dbraw/zinc/40/60/43/595406043.db2.gz WTLUCIVEHMMGQW-MELADBBJSA-N 2 2 326.510 1.792 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848679303 595427195 /nfs/dbraw/zinc/42/71/95/595427195.db2.gz UGSZHUGAZIHMDK-IRXDYDNUSA-N 2 2 333.432 1.052 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848679303 595427198 /nfs/dbraw/zinc/42/71/98/595427198.db2.gz UGSZHUGAZIHMDK-IRXDYDNUSA-N 2 2 333.432 1.052 20 0 EDADLP C[C@@H]1C[N@H+](CCOC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000848776498 595445165 /nfs/dbraw/zinc/44/51/65/595445165.db2.gz ITOKUWGPKBVFDE-SJLPKXTDSA-N 2 2 332.444 1.772 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000848776498 595445166 /nfs/dbraw/zinc/44/51/66/595445166.db2.gz ITOKUWGPKBVFDE-SJLPKXTDSA-N 2 2 332.444 1.772 20 0 EDADLP C[C@@H]1C[NH+](CCOC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000848776498 595445167 /nfs/dbraw/zinc/44/51/67/595445167.db2.gz ITOKUWGPKBVFDE-SJLPKXTDSA-N 2 2 332.444 1.772 20 0 EDADLP C[C@@H]1C[NH+](CCOC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000848776498 595445168 /nfs/dbraw/zinc/44/51/68/595445168.db2.gz ITOKUWGPKBVFDE-SJLPKXTDSA-N 2 2 332.444 1.772 20 0 EDADLP O=C1N(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@H]2CCCCN12 ZINC000850561318 595535076 /nfs/dbraw/zinc/53/50/76/595535076.db2.gz IUJQOJZTPJJWQI-QGZVFWFLSA-N 2 2 343.475 1.930 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852884593 595597899 /nfs/dbraw/zinc/59/78/99/595597899.db2.gz HXDXKBLXSALJBM-DOMZBBRYSA-N 2 2 334.395 1.135 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050943 595690533 /nfs/dbraw/zinc/69/05/33/595690533.db2.gz GZQSDHGVAALNCM-QZTJIDSGSA-N 2 2 349.475 1.351 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050943 595690536 /nfs/dbraw/zinc/69/05/36/595690536.db2.gz GZQSDHGVAALNCM-QZTJIDSGSA-N 2 2 349.475 1.351 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050943 595690540 /nfs/dbraw/zinc/69/05/40/595690540.db2.gz GZQSDHGVAALNCM-QZTJIDSGSA-N 2 2 349.475 1.351 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050943 595690542 /nfs/dbraw/zinc/69/05/42/595690542.db2.gz GZQSDHGVAALNCM-QZTJIDSGSA-N 2 2 349.475 1.351 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000109788798 595736932 /nfs/dbraw/zinc/73/69/32/595736932.db2.gz SGHRTCRVDMKECD-UHFFFAOYSA-N 2 2 343.493 1.836 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000109788798 595736937 /nfs/dbraw/zinc/73/69/37/595736937.db2.gz SGHRTCRVDMKECD-UHFFFAOYSA-N 2 2 343.493 1.836 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000858500722 595810924 /nfs/dbraw/zinc/81/09/24/595810924.db2.gz OHGGCKKFBMCJGZ-HOCLYGCPSA-N 2 2 341.496 1.942 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000858500722 595810927 /nfs/dbraw/zinc/81/09/27/595810927.db2.gz OHGGCKKFBMCJGZ-HOCLYGCPSA-N 2 2 341.496 1.942 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801357 595928818 /nfs/dbraw/zinc/92/88/18/595928818.db2.gz HUCHEUFJVDCVJW-CVEARBPZSA-N 2 2 341.496 1.896 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801357 595928819 /nfs/dbraw/zinc/92/88/19/595928819.db2.gz HUCHEUFJVDCVJW-CVEARBPZSA-N 2 2 341.496 1.896 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801357 595928820 /nfs/dbraw/zinc/92/88/20/595928820.db2.gz HUCHEUFJVDCVJW-CVEARBPZSA-N 2 2 341.496 1.896 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801357 595928823 /nfs/dbraw/zinc/92/88/23/595928823.db2.gz HUCHEUFJVDCVJW-CVEARBPZSA-N 2 2 341.496 1.896 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851881160 595961917 /nfs/dbraw/zinc/96/19/17/595961917.db2.gz KBKWWIUOAQLZSA-HNNXBMFYSA-N 2 2 338.452 1.841 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851881160 595961918 /nfs/dbraw/zinc/96/19/18/595961918.db2.gz KBKWWIUOAQLZSA-HNNXBMFYSA-N 2 2 338.452 1.841 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000852048005 596023357 /nfs/dbraw/zinc/02/33/57/596023357.db2.gz MQHQYPRISLSQMJ-CVEARBPZSA-N 2 2 329.485 1.630 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000852048005 596023362 /nfs/dbraw/zinc/02/33/62/596023362.db2.gz MQHQYPRISLSQMJ-CVEARBPZSA-N 2 2 329.485 1.630 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000852048005 596023366 /nfs/dbraw/zinc/02/33/66/596023366.db2.gz MQHQYPRISLSQMJ-CVEARBPZSA-N 2 2 329.485 1.630 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000852048005 596023369 /nfs/dbraw/zinc/02/33/69/596023369.db2.gz MQHQYPRISLSQMJ-CVEARBPZSA-N 2 2 329.485 1.630 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000861593285 596040764 /nfs/dbraw/zinc/04/07/64/596040764.db2.gz HZGVWOBERMPMMZ-KBXCAEBGSA-N 2 2 345.491 1.771 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000861593285 596040767 /nfs/dbraw/zinc/04/07/67/596040767.db2.gz HZGVWOBERMPMMZ-KBXCAEBGSA-N 2 2 345.491 1.771 20 0 EDADLP Cc1[nH]c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c1C=O ZINC000859358947 596064413 /nfs/dbraw/zinc/06/44/13/596064413.db2.gz MYACIRRZTVCRDA-UHFFFAOYSA-N 2 2 334.464 1.542 20 0 EDADLP Cc1[nH]c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1C=O ZINC000859358947 596064417 /nfs/dbraw/zinc/06/44/17/596064417.db2.gz MYACIRRZTVCRDA-UHFFFAOYSA-N 2 2 334.464 1.542 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000866606583 596267083 /nfs/dbraw/zinc/26/70/83/596267083.db2.gz BVELCNWHUIWCEY-HIFRSBDPSA-N 2 2 345.434 1.333 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000866606583 596267086 /nfs/dbraw/zinc/26/70/86/596267086.db2.gz BVELCNWHUIWCEY-HIFRSBDPSA-N 2 2 345.434 1.333 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866674210 596289331 /nfs/dbraw/zinc/28/93/31/596289331.db2.gz VJWXGBDEPJVJTH-WMLDXEAASA-N 2 2 334.464 1.946 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866674210 596289334 /nfs/dbraw/zinc/28/93/34/596289334.db2.gz VJWXGBDEPJVJTH-WMLDXEAASA-N 2 2 334.464 1.946 20 0 EDADLP COC(=O)/C=C\c1ccc(OCC[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000866683311 596293224 /nfs/dbraw/zinc/29/32/24/596293224.db2.gz RWDNUKFPOVQOMA-DAXSKMNVSA-N 2 2 348.443 1.298 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[NH2+]CCC2(C)C)cc1OC ZINC000866700168 596299291 /nfs/dbraw/zinc/29/92/91/596299291.db2.gz UJWXICUNYIDJAU-UHFFFAOYSA-N 2 2 335.448 1.394 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[NH2+]CCC2(C)C)cc1OC ZINC000866700168 596299294 /nfs/dbraw/zinc/29/92/94/596299294.db2.gz UJWXICUNYIDJAU-UHFFFAOYSA-N 2 2 335.448 1.394 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc[nH+]c3N3CCCC3)CC[C@@H]21 ZINC000868765408 596299837 /nfs/dbraw/zinc/29/98/37/596299837.db2.gz TZRFFQGBUHQVEW-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc[nH+]c3N3CCCC3)CC[C@@H]21 ZINC000868765408 596299839 /nfs/dbraw/zinc/29/98/39/596299839.db2.gz TZRFFQGBUHQVEW-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP O=C(CN1CCC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000866724470 596310967 /nfs/dbraw/zinc/31/09/67/596310967.db2.gz LCXRPNMQVLGRAT-SJORKVTESA-N 2 2 348.516 1.219 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)CC2)cc1 ZINC000864703694 596313572 /nfs/dbraw/zinc/31/35/72/596313572.db2.gz WQOGQJILWRJLDT-KRWDZBQOSA-N 2 2 344.415 1.186 20 0 EDADLP CC(=O)CC1(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCC1 ZINC000870667345 596316151 /nfs/dbraw/zinc/31/61/51/596316151.db2.gz VXHQBUXJCLYGQF-UHFFFAOYSA-N 2 2 330.432 1.921 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)NCCc1cn2c([nH+]1)CCCC2 ZINC000864802079 596363504 /nfs/dbraw/zinc/36/35/04/596363504.db2.gz DERKLWPXCPBBOG-UHFFFAOYSA-N 2 2 341.390 1.908 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)c[nH+]2)C[C@H](C)O1 ZINC000870866108 596382393 /nfs/dbraw/zinc/38/23/93/596382393.db2.gz NUUVKWZIFLASRK-OTRWWLKZSA-N 2 2 346.475 1.829 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000870917071 596402939 /nfs/dbraw/zinc/40/29/39/596402939.db2.gz PDZVRVHFHRAFKX-QMTMVMCOSA-N 2 2 339.443 1.106 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865049348 596454995 /nfs/dbraw/zinc/45/49/95/596454995.db2.gz HFPSUSBXQYXSGB-YVMONPNESA-N 2 2 347.459 1.132 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CCC[NH+](CC(F)F)C1 ZINC000867640087 596475623 /nfs/dbraw/zinc/47/56/23/596475623.db2.gz PNACQINUORBUSF-KGLIPLIRSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CCC[NH+](CC(F)F)C1 ZINC000867640087 596475625 /nfs/dbraw/zinc/47/56/25/596475625.db2.gz PNACQINUORBUSF-KGLIPLIRSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000867640087 596475626 /nfs/dbraw/zinc/47/56/26/596475626.db2.gz PNACQINUORBUSF-KGLIPLIRSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867640087 596475627 /nfs/dbraw/zinc/47/56/27/596475627.db2.gz PNACQINUORBUSF-KGLIPLIRSA-N 2 2 347.450 1.267 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000871280554 596520822 /nfs/dbraw/zinc/52/08/22/596520822.db2.gz ISQHUQMCUMQQLI-GOSISDBHSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000871280554 596520824 /nfs/dbraw/zinc/52/08/24/596520824.db2.gz ISQHUQMCUMQQLI-GOSISDBHSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000871280554 596520826 /nfs/dbraw/zinc/52/08/26/596520826.db2.gz ISQHUQMCUMQQLI-GOSISDBHSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000871280554 596520827 /nfs/dbraw/zinc/52/08/27/596520827.db2.gz ISQHUQMCUMQQLI-GOSISDBHSA-N 2 2 342.443 1.668 20 0 EDADLP CCCn1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000865407247 596564891 /nfs/dbraw/zinc/56/48/91/596564891.db2.gz BFSZAYVXOWIUSQ-UHFFFAOYSA-N 2 2 342.491 1.990 20 0 EDADLP CCCn1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)nn1 ZINC000865419990 596568669 /nfs/dbraw/zinc/56/86/69/596568669.db2.gz FULKRRCJBCFEOV-UHFFFAOYSA-N 2 2 342.491 1.725 20 0 EDADLP CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)nn1 ZINC000865419990 596568670 /nfs/dbraw/zinc/56/86/70/596568670.db2.gz FULKRRCJBCFEOV-UHFFFAOYSA-N 2 2 342.491 1.725 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCCO1 ZINC000867825949 596573197 /nfs/dbraw/zinc/57/31/97/596573197.db2.gz DCBAZBNFSODYBH-CQSZACIVSA-N 2 2 348.422 1.633 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCCO1 ZINC000867825949 596573200 /nfs/dbraw/zinc/57/32/00/596573200.db2.gz DCBAZBNFSODYBH-CQSZACIVSA-N 2 2 348.422 1.633 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000867832518 596577970 /nfs/dbraw/zinc/57/79/70/596577970.db2.gz KWEIJXWQUZPBCS-UHFFFAOYSA-N 2 2 328.351 1.088 20 0 EDADLP Cc1ccnc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1Br ZINC000865456772 596580793 /nfs/dbraw/zinc/58/07/93/596580793.db2.gz OOECDFPQIJURAC-CYBMUJFWSA-N 2 2 341.297 1.878 20 0 EDADLP CS(=O)(=O)c1ccc([C@H]2C[N@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000863548733 596614742 /nfs/dbraw/zinc/61/47/42/596614742.db2.gz SGXRQMYALOPIAM-QGZVFWFLSA-N 2 2 340.489 1.983 20 0 EDADLP CS(=O)(=O)c1ccc([C@H]2C[N@@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000863548733 596614744 /nfs/dbraw/zinc/61/47/44/596614744.db2.gz SGXRQMYALOPIAM-QGZVFWFLSA-N 2 2 340.489 1.983 20 0 EDADLP COCC[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)NC(=O)OC(C)(C)C ZINC000865573684 596615708 /nfs/dbraw/zinc/61/57/08/596615708.db2.gz KEVOPJNAQDRIHN-QWHCGFSZSA-N 2 2 338.452 1.786 20 0 EDADLP COCC[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)NC(=O)OC(C)(C)C ZINC000865573684 596615710 /nfs/dbraw/zinc/61/57/10/596615710.db2.gz KEVOPJNAQDRIHN-QWHCGFSZSA-N 2 2 338.452 1.786 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCN1Cc1ccccc1 ZINC000863553921 596615984 /nfs/dbraw/zinc/61/59/84/596615984.db2.gz MRIXSKRNBJTXNH-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP COc1cc(NC(=O)CC[N@H+](C)C[C@@H](C)[NH3+])cc(OC)c1OC ZINC000863569344 596621392 /nfs/dbraw/zinc/62/13/92/596621392.db2.gz SMHYXAKYDZHOGS-LLVKDONJSA-N 2 2 325.409 1.320 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+])cc(OC)c1OC ZINC000863569344 596621394 /nfs/dbraw/zinc/62/13/94/596621394.db2.gz SMHYXAKYDZHOGS-LLVKDONJSA-N 2 2 325.409 1.320 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000865660605 596642190 /nfs/dbraw/zinc/64/21/90/596642190.db2.gz WKCIKZRBWMEDRL-HNNXBMFYSA-N 2 2 332.423 1.946 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000865660605 596642192 /nfs/dbraw/zinc/64/21/92/596642192.db2.gz WKCIKZRBWMEDRL-HNNXBMFYSA-N 2 2 332.423 1.946 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)c2ccnc(-n3cc[nH+]c3)c2)n1 ZINC000120690608 596653313 /nfs/dbraw/zinc/65/33/13/596653313.db2.gz BEUXVWVJBNRXRP-UHFFFAOYSA-N 2 2 325.376 1.278 20 0 EDADLP CN(C(=O)c1ccc(F)c(C=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728311 596661293 /nfs/dbraw/zinc/66/12/93/596661293.db2.gz SLDJOFIWQVHBBW-KRWDZBQOSA-N 2 2 347.434 1.879 20 0 EDADLP CN(C(=O)c1ccc(F)c(C=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728311 596661296 /nfs/dbraw/zinc/66/12/96/596661296.db2.gz SLDJOFIWQVHBBW-KRWDZBQOSA-N 2 2 347.434 1.879 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)on1 ZINC000865765087 596673645 /nfs/dbraw/zinc/67/36/45/596673645.db2.gz UPSUJSWNMQTCIQ-UHFFFAOYSA-N 2 2 327.344 1.722 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865792168 596685143 /nfs/dbraw/zinc/68/51/43/596685143.db2.gz QSAYJDPOBRLPGJ-HUUCEWRRSA-N 2 2 346.466 1.106 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865792168 596685145 /nfs/dbraw/zinc/68/51/45/596685145.db2.gz QSAYJDPOBRLPGJ-HUUCEWRRSA-N 2 2 346.466 1.106 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC[C@@H]2C[NH+](Cc3ccc(C)cc3)CCO2)C1 ZINC000865803265 596690974 /nfs/dbraw/zinc/69/09/74/596690974.db2.gz WZWZLPFWGHHBCN-WOJBJXKFSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC[C@@H]2C[NH+](Cc3ccc(C)cc3)CCO2)C1 ZINC000865803265 596690977 /nfs/dbraw/zinc/69/09/77/596690977.db2.gz WZWZLPFWGHHBCN-WOJBJXKFSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[NH+]1CC[C@@H](NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000865803265 596690980 /nfs/dbraw/zinc/69/09/80/596690980.db2.gz WZWZLPFWGHHBCN-WOJBJXKFSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[NH+]1CC[C@@H](NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000865803265 596690984 /nfs/dbraw/zinc/69/09/84/596690984.db2.gz WZWZLPFWGHHBCN-WOJBJXKFSA-N 2 2 347.503 1.506 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)C[N@@H+]1C1CC1 ZINC000865815594 596694819 /nfs/dbraw/zinc/69/48/19/596694819.db2.gz FOYQCPGABCUMOT-PBHICJAKSA-N 2 2 328.460 1.927 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)C[N@H+]1C1CC1 ZINC000865815594 596694822 /nfs/dbraw/zinc/69/48/22/596694822.db2.gz FOYQCPGABCUMOT-PBHICJAKSA-N 2 2 328.460 1.927 20 0 EDADLP COCC(C)(C)[NH+]1CCN(c2nc(N)[nH+]c(C3CCCC3)n2)CC1 ZINC000865889110 596711678 /nfs/dbraw/zinc/71/16/78/596711678.db2.gz FHNQNFLSTCIKPG-UHFFFAOYSA-N 2 2 334.468 1.658 20 0 EDADLP C[C@H]([C@H](C)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+]1CCOCC1 ZINC000868186711 596715407 /nfs/dbraw/zinc/71/54/07/596715407.db2.gz PRZAMEBSDTVPGG-UWWPHRKUSA-N 2 2 332.448 1.732 20 0 EDADLP C[C@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000868285948 596765995 /nfs/dbraw/zinc/76/59/95/596765995.db2.gz KTZGBMKUUAAZIE-WMTDPASSSA-N 2 2 340.512 1.658 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[NH2+]2)cc1 ZINC000870142433 596769329 /nfs/dbraw/zinc/76/93/29/596769329.db2.gz KDEYJCACCJRTCF-YJBOKZPZSA-N 2 2 340.427 1.627 20 0 EDADLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)CC ZINC000872049135 596799041 /nfs/dbraw/zinc/79/90/41/596799041.db2.gz PJRYZOIAIDSAIZ-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc(=O)n2c1 ZINC000872147795 596811198 /nfs/dbraw/zinc/81/11/98/596811198.db2.gz LIBHCCFMBRJZIZ-DGCLKSJQSA-N 2 2 340.349 1.572 20 0 EDADLP Cc1ccc2nc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc(=O)n2c1 ZINC000872147795 596811201 /nfs/dbraw/zinc/81/12/01/596811201.db2.gz LIBHCCFMBRJZIZ-DGCLKSJQSA-N 2 2 340.349 1.572 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)C[C@@H]1C(F)(F)F ZINC000872150148 596812835 /nfs/dbraw/zinc/81/28/35/596812835.db2.gz YRAUXHLAZJMMSW-CABCVRRESA-N 2 2 341.377 1.640 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)C[C@@H]1C(F)(F)F ZINC000872150148 596812837 /nfs/dbraw/zinc/81/28/37/596812837.db2.gz YRAUXHLAZJMMSW-CABCVRRESA-N 2 2 341.377 1.640 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872154002 596815099 /nfs/dbraw/zinc/81/50/99/596815099.db2.gz QLLFPXFOEJVACB-QFBILLFUSA-N 2 2 331.460 1.633 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872154002 596815100 /nfs/dbraw/zinc/81/51/00/596815100.db2.gz QLLFPXFOEJVACB-QFBILLFUSA-N 2 2 331.460 1.633 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872217739 596840013 /nfs/dbraw/zinc/84/00/13/596840013.db2.gz FJUXPSYEAMEESJ-DLBZAZTESA-N 2 2 336.476 1.478 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872217739 596840014 /nfs/dbraw/zinc/84/00/14/596840014.db2.gz FJUXPSYEAMEESJ-DLBZAZTESA-N 2 2 336.476 1.478 20 0 EDADLP CC(C)[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccn1 ZINC000866300638 596850941 /nfs/dbraw/zinc/85/09/41/596850941.db2.gz VOZWLTXUBZQLJP-LPHOPBHVSA-N 2 2 346.475 1.301 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2([C@H]3CCCCO3)CCC2)CC1 ZINC000866353320 596864810 /nfs/dbraw/zinc/86/48/10/596864810.db2.gz QRDXWGZFAIORFF-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[NH2+]CCC2(C)C)CC1 ZINC000872298242 596873336 /nfs/dbraw/zinc/87/33/36/596873336.db2.gz DQCSWAFKSODYTJ-UHFFFAOYSA-N 2 2 333.480 1.233 20 0 EDADLP C(C[C@H]1CCCS1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000866479139 596892087 /nfs/dbraw/zinc/89/20/87/596892087.db2.gz PMMQRDTWMUCQGJ-QGZVFWFLSA-N 2 2 327.538 1.658 20 0 EDADLP C(C[C@H]1CCCS1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000866479139 596892088 /nfs/dbraw/zinc/89/20/88/596892088.db2.gz PMMQRDTWMUCQGJ-QGZVFWFLSA-N 2 2 327.538 1.658 20 0 EDADLP COc1cc[nH+]cc1COC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000875734617 596966059 /nfs/dbraw/zinc/96/60/59/596966059.db2.gz MPKWSHHKYZQXHV-CVEARBPZSA-N 2 2 344.415 1.602 20 0 EDADLP COc1cc[nH+]cc1COC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000875734617 596966061 /nfs/dbraw/zinc/96/60/61/596966061.db2.gz MPKWSHHKYZQXHV-CVEARBPZSA-N 2 2 344.415 1.602 20 0 EDADLP Cc1ccc2n[nH]cc2c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874462779 597090305 /nfs/dbraw/zinc/09/03/05/597090305.db2.gz ZTALVOCVPPQYOG-CQSZACIVSA-N 2 2 341.459 1.770 20 0 EDADLP Cc1ccc2n[nH]cc2c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874462779 597090308 /nfs/dbraw/zinc/09/03/08/597090308.db2.gz ZTALVOCVPPQYOG-CQSZACIVSA-N 2 2 341.459 1.770 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000874988802 597232944 /nfs/dbraw/zinc/23/29/44/597232944.db2.gz FHFHUBHIZGYEMO-MSOLQXFVSA-N 2 2 348.491 1.699 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000874988802 597232945 /nfs/dbraw/zinc/23/29/45/597232945.db2.gz FHFHUBHIZGYEMO-MSOLQXFVSA-N 2 2 348.491 1.699 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000874993214 597234816 /nfs/dbraw/zinc/23/48/16/597234816.db2.gz FDIAOILNRRFVEO-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000874993214 597234819 /nfs/dbraw/zinc/23/48/19/597234819.db2.gz FDIAOILNRRFVEO-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C[N@@H+]1C1CC1 ZINC000873247065 597238674 /nfs/dbraw/zinc/23/86/74/597238674.db2.gz HSYXOQXBTZQLMT-DZGCQCFKSA-N 3 2 326.448 1.441 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C[N@H+]1C1CC1 ZINC000873247065 597238677 /nfs/dbraw/zinc/23/86/77/597238677.db2.gz HSYXOQXBTZQLMT-DZGCQCFKSA-N 3 2 326.448 1.441 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1nnnn1C1CC1 ZINC000873248145 597239300 /nfs/dbraw/zinc/23/93/00/597239300.db2.gz AFCKSYUQEQQKJG-PNPHSEOMSA-N 2 2 340.431 1.915 20 0 EDADLP Cc1ccc(CN2CCO[C@H](C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000873264943 597242579 /nfs/dbraw/zinc/24/25/79/597242579.db2.gz FRNCPRITAXDTMG-DFQSSKMNSA-N 2 2 347.503 1.552 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000877008517 597410490 /nfs/dbraw/zinc/41/04/90/597410490.db2.gz LTLARQLNEOOUDT-UHFFFAOYSA-N 2 2 325.844 1.162 20 0 EDADLP Cc1cc(NCCNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000877026777 597415232 /nfs/dbraw/zinc/41/52/32/597415232.db2.gz HEWZPWWNXQTCEY-LFAOLKIESA-N 2 2 331.464 1.992 20 0 EDADLP COc1ccccc1[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1[nH+]ccn1C ZINC000873897972 597439457 /nfs/dbraw/zinc/43/94/57/597439457.db2.gz BBNAEBAKJFTGKX-INIZCTEOSA-N 2 2 342.443 1.976 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248140 597478135 /nfs/dbraw/zinc/47/81/35/597478135.db2.gz GUGJPAYFVBJPFM-NJAFHUGGSA-N 2 2 333.476 1.685 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248140 597478138 /nfs/dbraw/zinc/47/81/38/597478138.db2.gz GUGJPAYFVBJPFM-NJAFHUGGSA-N 2 2 333.476 1.685 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3=CC[C@H]([NH3+])C3)C2)cc1 ZINC000877248210 597478384 /nfs/dbraw/zinc/47/83/84/597478384.db2.gz HUZMYYYHRMMSPY-ROUUACIJSA-N 2 2 329.444 1.360 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C3=CC[C@H]([NH3+])C3)C2)cc1 ZINC000877248210 597478386 /nfs/dbraw/zinc/47/83/86/597478386.db2.gz HUZMYYYHRMMSPY-ROUUACIJSA-N 2 2 329.444 1.360 20 0 EDADLP C[NH+](C)C[C@@H]1C[NH+](Cc2ccc(-n3cncn3)cc2)C[C@H]1C[NH+](C)C ZINC000877669736 597546622 /nfs/dbraw/zinc/54/66/22/597546622.db2.gz XCVGDNSGGYAKRD-QZTJIDSGSA-N 3 2 342.491 1.439 20 0 EDADLP C(C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1)[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982449 597567836 /nfs/dbraw/zinc/56/78/36/597567836.db2.gz UBDVFSSIVMMADQ-QGFMHUBQSA-N 4 2 332.536 1.095 20 0 EDADLP C(C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1)[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982449 597567837 /nfs/dbraw/zinc/56/78/37/597567837.db2.gz UBDVFSSIVMMADQ-QGFMHUBQSA-N 4 2 332.536 1.095 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2cc(Br)no2)CC[N@@H+]1C ZINC000878163379 597583294 /nfs/dbraw/zinc/58/32/94/597583294.db2.gz QYNUTOYYKJGJON-VWYCJHECSA-N 2 2 332.242 1.885 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2cc(Br)no2)CC[N@H+]1C ZINC000878163379 597583295 /nfs/dbraw/zinc/58/32/95/597583295.db2.gz QYNUTOYYKJGJON-VWYCJHECSA-N 2 2 332.242 1.885 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2cc(Br)no2)CC[NH+]1C ZINC000878163379 597583296 /nfs/dbraw/zinc/58/32/96/597583296.db2.gz QYNUTOYYKJGJON-VWYCJHECSA-N 2 2 332.242 1.885 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2cc(Br)no2)CC[NH+]1C ZINC000878163379 597583297 /nfs/dbraw/zinc/58/32/97/597583297.db2.gz QYNUTOYYKJGJON-VWYCJHECSA-N 2 2 332.242 1.885 20 0 EDADLP OC[C@]1(F)CC[NH+](CC(C[N@H+]2CC[C@@](F)(CO)C2)C2CCCC2)C1 ZINC000878567931 597638270 /nfs/dbraw/zinc/63/82/70/597638270.db2.gz DXWSXIHHUUFGQE-ROUUACIJSA-N 2 2 346.462 1.605 20 0 EDADLP OC[C@]1(F)CC[NH+](CC(C[N@@H+]2CC[C@@](F)(CO)C2)C2CCCC2)C1 ZINC000878567931 597638274 /nfs/dbraw/zinc/63/82/74/597638274.db2.gz DXWSXIHHUUFGQE-ROUUACIJSA-N 2 2 346.462 1.605 20 0 EDADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000879583378 597643782 /nfs/dbraw/zinc/64/37/82/597643782.db2.gz YHATZWDLCJVMDN-RTBURBONSA-N 2 2 327.472 1.987 20 0 EDADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000879583378 597643785 /nfs/dbraw/zinc/64/37/85/597643785.db2.gz YHATZWDLCJVMDN-RTBURBONSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000879583378 597643788 /nfs/dbraw/zinc/64/37/88/597643788.db2.gz YHATZWDLCJVMDN-RTBURBONSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000879583378 597643790 /nfs/dbraw/zinc/64/37/90/597643790.db2.gz YHATZWDLCJVMDN-RTBURBONSA-N 2 2 327.472 1.987 20 0 EDADLP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(N3CC[NH+](C)CC3)CC2)o1 ZINC000879591535 597648245 /nfs/dbraw/zinc/64/82/45/597648245.db2.gz OLYJFAZJCCNZSS-CQSZACIVSA-N 2 2 335.448 1.839 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc4cc[nH]c4c3)C2)CC1 ZINC000878823692 597724348 /nfs/dbraw/zinc/72/43/48/597724348.db2.gz DKPYAIJWCDQUAN-AWEZNQCLSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc4cc[nH]c4c3)C2)CC1 ZINC000878823692 597724350 /nfs/dbraw/zinc/72/43/50/597724350.db2.gz DKPYAIJWCDQUAN-AWEZNQCLSA-N 2 2 327.432 1.461 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142754 597854945 /nfs/dbraw/zinc/85/49/45/597854945.db2.gz UESIJMXBAXQFCM-IRXDYDNUSA-N 2 2 343.427 1.773 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142754 597854946 /nfs/dbraw/zinc/85/49/46/597854946.db2.gz UESIJMXBAXQFCM-IRXDYDNUSA-N 2 2 343.427 1.773 20 0 EDADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142754 597854947 /nfs/dbraw/zinc/85/49/47/597854947.db2.gz UESIJMXBAXQFCM-IRXDYDNUSA-N 2 2 343.427 1.773 20 0 EDADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142754 597854948 /nfs/dbraw/zinc/85/49/48/597854948.db2.gz UESIJMXBAXQFCM-IRXDYDNUSA-N 2 2 343.427 1.773 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000880252760 597883377 /nfs/dbraw/zinc/88/33/77/597883377.db2.gz COFIKTYXTNTKSU-GOSISDBHSA-N 2 2 345.487 1.396 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000880254393 597884480 /nfs/dbraw/zinc/88/44/80/597884480.db2.gz VLGYAKFFSHMJDI-KRWDZBQOSA-N 2 2 337.508 1.733 20 0 EDADLP COc1ccc2c(c1)CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C2 ZINC000880668949 597992336 /nfs/dbraw/zinc/99/23/36/597992336.db2.gz BCYVASMCIACKDC-SFHVURJKSA-N 2 2 347.503 1.800 20 0 EDADLP COc1ccc2c(c1)CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2 ZINC000880668949 597992338 /nfs/dbraw/zinc/99/23/38/597992338.db2.gz BCYVASMCIACKDC-SFHVURJKSA-N 2 2 347.503 1.800 20 0 EDADLP COc1ccc([C@@H](CNC(=O)c2ncoc2C[NH3+])[NH+]2CCCC2)cc1 ZINC000884177328 598015612 /nfs/dbraw/zinc/01/56/12/598015612.db2.gz GNVRZHFOCHLOHN-OAHLLOKOSA-N 2 2 344.415 1.709 20 0 EDADLP C[C@H](O)CNc1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc[nH+]1 ZINC000882821351 598070485 /nfs/dbraw/zinc/07/04/85/598070485.db2.gz SBUAZFNRLCOHRW-KGLIPLIRSA-N 2 2 328.420 1.379 20 0 EDADLP C[C@H](O)CNc1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)[nH+]cn1 ZINC000882821351 598070488 /nfs/dbraw/zinc/07/04/88/598070488.db2.gz SBUAZFNRLCOHRW-KGLIPLIRSA-N 2 2 328.420 1.379 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC(C)([NH+]4CCC4)CC3)nc[nH+]2)C1 ZINC000882962852 598118704 /nfs/dbraw/zinc/11/87/04/598118704.db2.gz GDYJSRUWJFGVDZ-HZPDHXFCSA-N 2 2 345.491 1.748 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC000992686980 695206440 /nfs/dbraw/zinc/20/64/40/695206440.db2.gz BLVUDJAMELZNHH-UAGQMJEPSA-N 2 2 348.466 1.948 20 0 EDADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@H]3C2)c(C)[nH+]1 ZINC000992753136 695281043 /nfs/dbraw/zinc/28/10/43/695281043.db2.gz IYQJKVMNJVFTGT-YESZJQIVSA-N 2 2 331.460 1.829 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000939858017 699997017 /nfs/dbraw/zinc/99/70/17/699997017.db2.gz WJADGJYCWXOGIL-BLLLJJGKSA-N 2 2 334.370 1.798 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)no1 ZINC000992866827 695413802 /nfs/dbraw/zinc/41/38/02/695413802.db2.gz XLXRGOLILCWYBQ-CWRNSKLLSA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]CCn3cccn3)[C@H]2C1 ZINC000992876856 695425545 /nfs/dbraw/zinc/42/55/45/695425545.db2.gz OHEJEIMXQRQLQY-HRCADAONSA-N 2 2 342.447 1.066 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)o1 ZINC000992881484 695428377 /nfs/dbraw/zinc/42/83/77/695428377.db2.gz XEULSWGNXDUZMA-FVQBIDKESA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC000992927152 695457953 /nfs/dbraw/zinc/45/79/53/695457953.db2.gz VZADBZYVXSWUAP-OKZBNKHCSA-N 2 2 339.443 1.695 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)o1 ZINC000992928024 695458675 /nfs/dbraw/zinc/45/86/75/695458675.db2.gz ZGANGXKRKAXLTG-HYVNUMGLSA-N 2 2 343.431 1.596 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]32)cc[nH+]1 ZINC001060545295 695925773 /nfs/dbraw/zinc/92/57/73/695925773.db2.gz YQNGWNUJWGKCMQ-HRCADAONSA-N 2 2 343.475 1.918 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC[N@@H+]1CCF ZINC000993581012 696233081 /nfs/dbraw/zinc/23/30/81/696233081.db2.gz VXBDKOPMWDKELL-HIFRSBDPSA-N 2 2 331.395 1.820 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC[N@H+]1CCF ZINC000993581012 696233083 /nfs/dbraw/zinc/23/30/83/696233083.db2.gz VXBDKOPMWDKELL-HIFRSBDPSA-N 2 2 331.395 1.820 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)on1 ZINC000993613647 696259577 /nfs/dbraw/zinc/25/95/77/696259577.db2.gz KSPYAJMKFZKHES-HIFRSBDPSA-N 2 2 347.419 1.357 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)on1 ZINC000993613647 696259579 /nfs/dbraw/zinc/25/95/79/696259579.db2.gz KSPYAJMKFZKHES-HIFRSBDPSA-N 2 2 347.419 1.357 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000993628158 696291690 /nfs/dbraw/zinc/29/16/90/696291690.db2.gz YCCPHYQMNDICHM-YOEHRIQHSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000993628158 696291691 /nfs/dbraw/zinc/29/16/91/696291691.db2.gz YCCPHYQMNDICHM-YOEHRIQHSA-N 2 2 345.422 1.895 20 0 EDADLP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1nccn1C ZINC000993931229 696449892 /nfs/dbraw/zinc/44/98/92/696449892.db2.gz SQNDJMIDKHYFOU-NVXWUHKLSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1nccn1C ZINC000993931229 696449893 /nfs/dbraw/zinc/44/98/93/696449893.db2.gz SQNDJMIDKHYFOU-NVXWUHKLSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994214143 696585290 /nfs/dbraw/zinc/58/52/90/696585290.db2.gz WDESWXWCWOMXLC-QAPCUYQASA-N 2 2 341.459 1.835 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994214143 696585293 /nfs/dbraw/zinc/58/52/93/696585293.db2.gz WDESWXWCWOMXLC-QAPCUYQASA-N 2 2 341.459 1.835 20 0 EDADLP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1cncc(F)c1 ZINC000994248111 696637809 /nfs/dbraw/zinc/63/78/09/696637809.db2.gz DLBXPRZBYMWATA-WMLDXEAASA-N 2 2 346.450 1.786 20 0 EDADLP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1cncc(F)c1 ZINC000994248111 696637811 /nfs/dbraw/zinc/63/78/11/696637811.db2.gz DLBXPRZBYMWATA-WMLDXEAASA-N 2 2 346.450 1.786 20 0 EDADLP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cn1 ZINC000994260464 696673605 /nfs/dbraw/zinc/67/36/05/696673605.db2.gz YPIPIFJOFGKABQ-WBVHZDCISA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cn1 ZINC000994260464 696673606 /nfs/dbraw/zinc/67/36/06/696673606.db2.gz YPIPIFJOFGKABQ-WBVHZDCISA-N 2 2 343.475 1.350 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000916837309 696794956 /nfs/dbraw/zinc/79/49/56/696794956.db2.gz RKDJSEZAHUQRIG-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000916837309 696794958 /nfs/dbraw/zinc/79/49/58/696794958.db2.gz RKDJSEZAHUQRIG-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1cncc(F)c1 ZINC000994406657 696830197 /nfs/dbraw/zinc/83/01/97/696830197.db2.gz KDAXOTSQFLYTRN-PBHICJAKSA-N 2 2 334.439 1.786 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1cncc(F)c1 ZINC000994406657 696830201 /nfs/dbraw/zinc/83/02/01/696830201.db2.gz KDAXOTSQFLYTRN-PBHICJAKSA-N 2 2 334.439 1.786 20 0 EDADLP Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)c1 ZINC000994412427 696838291 /nfs/dbraw/zinc/83/82/91/696838291.db2.gz VIXLWKNJYIQDTH-FUHWJXTLSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1cncc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)c1 ZINC000994412427 696838293 /nfs/dbraw/zinc/83/82/93/696838293.db2.gz VIXLWKNJYIQDTH-FUHWJXTLSA-N 2 2 330.476 1.955 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+]([C@H](C)c3cc(C)ccc3C)C2)C1 ZINC001031414202 697061871 /nfs/dbraw/zinc/06/18/71/697061871.db2.gz GWFIAQLBYIYLKD-VQIMIIECSA-N 2 2 345.487 1.886 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+]([C@H](C)c3cc(C)ccc3C)C2)C1 ZINC001031414202 697061873 /nfs/dbraw/zinc/06/18/73/697061873.db2.gz GWFIAQLBYIYLKD-VQIMIIECSA-N 2 2 345.487 1.886 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000444790191 697154902 /nfs/dbraw/zinc/15/49/02/697154902.db2.gz HMAZMAXNTSHWAQ-HNNXBMFYSA-N 2 2 348.447 1.011 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000444790191 697154904 /nfs/dbraw/zinc/15/49/04/697154904.db2.gz HMAZMAXNTSHWAQ-HNNXBMFYSA-N 2 2 348.447 1.011 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031593582 697292615 /nfs/dbraw/zinc/29/26/15/697292615.db2.gz DQWUROMYFMEXFP-CXAGYDPISA-N 2 2 335.423 1.265 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031593582 697292616 /nfs/dbraw/zinc/29/26/16/697292616.db2.gz DQWUROMYFMEXFP-CXAGYDPISA-N 2 2 335.423 1.265 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001031596946 697297642 /nfs/dbraw/zinc/29/76/42/697297642.db2.gz SNEBHAPSCRSQIN-MSOLQXFVSA-N 2 2 347.434 1.192 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001031596946 697297643 /nfs/dbraw/zinc/29/76/43/697297643.db2.gz SNEBHAPSCRSQIN-MSOLQXFVSA-N 2 2 347.434 1.192 20 0 EDADLP CC1(C)[NH2+]CC[C@H]1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000925481327 697457158 /nfs/dbraw/zinc/45/71/58/697457158.db2.gz NCLZWKFMHPEZFI-GOSISDBHSA-N 2 2 333.476 1.628 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000920659977 697463134 /nfs/dbraw/zinc/46/31/34/697463134.db2.gz QZQYFMOYNBWDOI-MGNMYUMUSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000920659977 697463136 /nfs/dbraw/zinc/46/31/36/697463136.db2.gz QZQYFMOYNBWDOI-MGNMYUMUSA-N 2 2 338.496 1.412 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921488358 697621595 /nfs/dbraw/zinc/62/15/95/697621595.db2.gz SHTRRSJUIJHOQD-HUUCEWRRSA-N 2 2 345.472 1.713 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921488358 697621596 /nfs/dbraw/zinc/62/15/96/697621596.db2.gz SHTRRSJUIJHOQD-HUUCEWRRSA-N 2 2 345.472 1.713 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179726 697878186 /nfs/dbraw/zinc/87/81/86/697878186.db2.gz YVHGIGGQVSZGQK-SJKOYZFVSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179726 697878192 /nfs/dbraw/zinc/87/81/92/697878192.db2.gz YVHGIGGQVSZGQK-SJKOYZFVSA-N 2 2 345.447 1.838 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001031728798 698035658 /nfs/dbraw/zinc/03/56/58/698035658.db2.gz BATVTVKHAAWYNJ-KRWDZBQOSA-N 2 2 348.466 1.747 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001031728798 698035662 /nfs/dbraw/zinc/03/56/62/698035662.db2.gz BATVTVKHAAWYNJ-KRWDZBQOSA-N 2 2 348.466 1.747 20 0 EDADLP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001031730136 698065691 /nfs/dbraw/zinc/06/56/91/698065691.db2.gz FKJOUCNVFBGZLO-KRWDZBQOSA-N 2 2 339.443 1.712 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cs1 ZINC000995154701 701556952 /nfs/dbraw/zinc/55/69/52/701556952.db2.gz SILDGOWVHKILNV-CHWSQXEVSA-N 2 2 333.461 1.792 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)on1 ZINC001031765034 699050683 /nfs/dbraw/zinc/05/06/83/699050683.db2.gz SIKAZPKXNZOUJK-UHFFFAOYSA-N 2 2 332.448 1.407 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995157761 701564947 /nfs/dbraw/zinc/56/49/47/701564947.db2.gz ZUIYFHXOWVEKLR-GOEBONIOSA-N 2 2 327.432 1.730 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031776124 699151343 /nfs/dbraw/zinc/15/13/43/699151343.db2.gz FZAKHGDDFJQYBG-KRWDZBQOSA-N 2 2 332.448 1.584 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031776124 699151344 /nfs/dbraw/zinc/15/13/44/699151344.db2.gz FZAKHGDDFJQYBG-KRWDZBQOSA-N 2 2 332.448 1.584 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784963 699220174 /nfs/dbraw/zinc/22/01/74/699220174.db2.gz ZWIGYMXGQULWEM-WBVHZDCISA-N 2 2 346.475 1.310 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)n1 ZINC000939138128 699226727 /nfs/dbraw/zinc/22/67/27/699226727.db2.gz SQTPBCVSYXRIQY-UONOGXRCSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)n1 ZINC000939138128 699226728 /nfs/dbraw/zinc/22/67/28/699226728.db2.gz SQTPBCVSYXRIQY-UONOGXRCSA-N 2 2 349.479 1.300 20 0 EDADLP CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1)OC ZINC001031787143 699242013 /nfs/dbraw/zinc/24/20/13/699242013.db2.gz BFZGZSUZMCVHGG-LSDHHAIUSA-N 2 2 334.464 1.296 20 0 EDADLP CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1)OC ZINC001031787143 699242015 /nfs/dbraw/zinc/24/20/15/699242015.db2.gz BFZGZSUZMCVHGG-LSDHHAIUSA-N 2 2 334.464 1.296 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(O)ccc1Cl ZINC000939211158 699359239 /nfs/dbraw/zinc/35/92/39/699359239.db2.gz QQUACIBXEOZCHC-MEDUHNTESA-N 2 2 348.834 1.948 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)sn1 ZINC000939216456 699388391 /nfs/dbraw/zinc/38/83/91/699388391.db2.gz VYWVNGTZVZSHEX-MFKMUULPSA-N 2 2 335.433 1.054 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)o1 ZINC000939399085 699548308 /nfs/dbraw/zinc/54/83/08/699548308.db2.gz VPULOFLKDFILNY-ZBFHGGJFSA-N 2 2 334.464 1.651 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCN(C2C[NH+](CCC3CCCC3)C2)CC1 ZINC000941618401 701598046 /nfs/dbraw/zinc/59/80/46/701598046.db2.gz VNQOJTMHGKMVLH-UHFFFAOYSA-N 2 2 345.491 1.361 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939409582 699563914 /nfs/dbraw/zinc/56/39/14/699563914.db2.gz WCOGYNXTZPVJCS-AAEUAGOBSA-N 2 2 333.823 1.637 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939410130 699564266 /nfs/dbraw/zinc/56/42/66/699564266.db2.gz XZJVPEAYNCSKDA-ABAIWWIYSA-N 2 2 334.370 1.867 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)ccc1C ZINC000939411827 699565242 /nfs/dbraw/zinc/56/52/42/699565242.db2.gz DUZZHGUKGHAEOK-ZBFHGGJFSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)c1 ZINC000939534832 699675993 /nfs/dbraw/zinc/67/59/93/699675993.db2.gz MVSLTFPRPORNRI-YJBOKZPZSA-N 2 2 326.444 1.908 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000939536220 699677054 /nfs/dbraw/zinc/67/70/54/699677054.db2.gz UKLNQMUBCZHTGH-YOEHRIQHSA-N 2 2 334.464 1.216 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C)o1 ZINC000939550486 699699538 /nfs/dbraw/zinc/69/95/38/699699538.db2.gz LAYMLQYKQKBQEF-SMDDNHRTSA-N 2 2 344.419 1.089 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC000939622005 699758989 /nfs/dbraw/zinc/75/89/89/699758989.db2.gz HKMRUQLNUSRQBD-WBMJQRKESA-N 2 2 345.451 1.070 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)s1 ZINC000939623475 699760859 /nfs/dbraw/zinc/76/08/59/699760859.db2.gz SFOLHWPYGFULRN-BMIGLBTASA-N 2 2 347.488 1.971 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)cn1 ZINC000939641549 699771035 /nfs/dbraw/zinc/77/10/35/699771035.db2.gz FWORCHVHZATQSH-GUYCJALGSA-N 2 2 342.447 1.088 20 0 EDADLP CC[C@H](F)C[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001031838135 699801005 /nfs/dbraw/zinc/80/10/05/699801005.db2.gz NCWQZXHBFBNGOY-AWEZNQCLSA-N 2 2 331.395 1.677 20 0 EDADLP CC1(C)CO[C@@H](C[NH+]2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001031844440 699872808 /nfs/dbraw/zinc/87/28/08/699872808.db2.gz ORPFTELPKOUPNM-OAHLLOKOSA-N 2 2 342.443 1.811 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)n1 ZINC000939747860 699894371 /nfs/dbraw/zinc/89/43/71/699894371.db2.gz MWOJUJVWFVROOF-SMDDNHRTSA-N 2 2 333.461 1.593 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)on1 ZINC001031846625 699900971 /nfs/dbraw/zinc/90/09/71/699900971.db2.gz UBPCFHHINLWSHN-UHFFFAOYSA-N 2 2 325.372 1.493 20 0 EDADLP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000940321829 700497926 /nfs/dbraw/zinc/49/79/26/700497926.db2.gz LMQSXUVKJKRMSK-HUUCEWRRSA-N 2 2 346.475 1.837 20 0 EDADLP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940356817 700518436 /nfs/dbraw/zinc/51/84/36/700518436.db2.gz ZMBZRKYJVOHAJV-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940372013 700554918 /nfs/dbraw/zinc/55/49/18/700554918.db2.gz YDDIRVGATYWONM-CQSZACIVSA-N 2 2 344.463 1.493 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940372013 700554922 /nfs/dbraw/zinc/55/49/22/700554922.db2.gz YDDIRVGATYWONM-CQSZACIVSA-N 2 2 344.463 1.493 20 0 EDADLP CC(C)n1ccc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000940398224 700595249 /nfs/dbraw/zinc/59/52/49/700595249.db2.gz ZDTVNNHAUDWJLJ-UHFFFAOYSA-N 2 2 344.463 1.901 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]cn3C)CC2)O1 ZINC000940445379 700647400 /nfs/dbraw/zinc/64/74/00/700647400.db2.gz PZLBSHCUTXSDOU-WBVHZDCISA-N 2 2 348.491 1.891 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2nccs2)CC1(C)C ZINC000940621842 700783639 /nfs/dbraw/zinc/78/36/39/700783639.db2.gz WBTJJPZGBFZQNU-KGLIPLIRSA-N 2 2 336.505 1.954 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2nccs2)CC1(C)C ZINC000940621842 700783641 /nfs/dbraw/zinc/78/36/41/700783641.db2.gz WBTJJPZGBFZQNU-KGLIPLIRSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2nccs2)CC1(C)C ZINC000940621842 700783644 /nfs/dbraw/zinc/78/36/44/700783644.db2.gz WBTJJPZGBFZQNU-KGLIPLIRSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2nccs2)CC1(C)C ZINC000940621842 700783646 /nfs/dbraw/zinc/78/36/46/700783646.db2.gz WBTJJPZGBFZQNU-KGLIPLIRSA-N 2 2 336.505 1.954 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)CC1(C)C ZINC000940831586 700931178 /nfs/dbraw/zinc/93/11/78/700931178.db2.gz OLRXZHWDGKOPHD-CZUORRHYSA-N 2 2 335.448 1.230 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)CC1(C)C ZINC000940831586 700931180 /nfs/dbraw/zinc/93/11/80/700931180.db2.gz OLRXZHWDGKOPHD-CZUORRHYSA-N 2 2 335.448 1.230 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C[C@H](C)O)CC1(C)C ZINC000940831584 700931310 /nfs/dbraw/zinc/93/13/10/700931310.db2.gz OLRXZHWDGKOPHD-BBRMVZONSA-N 2 2 335.448 1.230 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)CC1(C)C ZINC000940831584 700931311 /nfs/dbraw/zinc/93/13/11/700931311.db2.gz OLRXZHWDGKOPHD-BBRMVZONSA-N 2 2 335.448 1.230 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000995107081 700959578 /nfs/dbraw/zinc/95/95/78/700959578.db2.gz OQOUOGYZAGQKNG-OCCSQVGLSA-N 2 2 343.431 1.892 20 0 EDADLP Cc1cncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000995111766 701007798 /nfs/dbraw/zinc/00/77/98/701007798.db2.gz BZVJOIOXYUTJIU-GOEBONIOSA-N 2 2 327.432 1.730 20 0 EDADLP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920799 701059465 /nfs/dbraw/zinc/05/94/65/701059465.db2.gz RPZKDMOYUVRQGR-YJBOKZPZSA-N 2 2 337.508 1.724 20 0 EDADLP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920799 701059466 /nfs/dbraw/zinc/05/94/66/701059466.db2.gz RPZKDMOYUVRQGR-YJBOKZPZSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000941032962 701075245 /nfs/dbraw/zinc/07/52/45/701075245.db2.gz KKDKMISQKQXDTI-HOTGVXAUSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000941032962 701075248 /nfs/dbraw/zinc/07/52/48/701075248.db2.gz KKDKMISQKQXDTI-HOTGVXAUSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000941032962 701075252 /nfs/dbraw/zinc/07/52/52/701075252.db2.gz KKDKMISQKQXDTI-HOTGVXAUSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000941032962 701075256 /nfs/dbraw/zinc/07/52/56/701075256.db2.gz KKDKMISQKQXDTI-HOTGVXAUSA-N 2 2 345.491 1.678 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)ccn1 ZINC000995119308 701104887 /nfs/dbraw/zinc/10/48/87/701104887.db2.gz WVLCUTQNGNUKRI-DZGCQCFKSA-N 2 2 343.431 1.431 20 0 EDADLP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941060114 701106707 /nfs/dbraw/zinc/10/67/07/701106707.db2.gz BXWWQZXBPXJVIK-INIZCTEOSA-N 2 2 344.463 1.145 20 0 EDADLP Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941060114 701106709 /nfs/dbraw/zinc/10/67/09/701106709.db2.gz BXWWQZXBPXJVIK-INIZCTEOSA-N 2 2 344.463 1.145 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ccccc3F)C2)C1 ZINC001032197527 701695297 /nfs/dbraw/zinc/69/52/97/701695297.db2.gz NFLGEARPTULBQX-RDTXWAMCSA-N 2 2 349.450 1.655 20 0 EDADLP CCc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000995171219 701693776 /nfs/dbraw/zinc/69/37/76/701693776.db2.gz VSDSVVAZAWCVDI-KBPBESRZSA-N 2 2 345.447 1.588 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)ncn1 ZINC000945806122 701195702 /nfs/dbraw/zinc/19/57/02/701195702.db2.gz AUFCWAZROUSISN-BBRMVZONSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)ncn1 ZINC000945806122 701195705 /nfs/dbraw/zinc/19/57/05/701195705.db2.gz AUFCWAZROUSISN-BBRMVZONSA-N 2 2 328.420 1.008 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810876 701203888 /nfs/dbraw/zinc/20/38/88/701203888.db2.gz YEBAHSKOHNRFHF-QAPCUYQASA-N 2 2 342.443 1.402 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810876 701203889 /nfs/dbraw/zinc/20/38/89/701203889.db2.gz YEBAHSKOHNRFHF-QAPCUYQASA-N 2 2 342.443 1.402 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000941186207 701390717 /nfs/dbraw/zinc/39/07/17/701390717.db2.gz FSXOWRIIXQTALQ-KRWDZBQOSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000941186207 701390719 /nfs/dbraw/zinc/39/07/19/701390719.db2.gz FSXOWRIIXQTALQ-KRWDZBQOSA-N 2 2 348.491 1.904 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C/C=C\Cl)CC2(C)C)C1 ZINC000941230729 701404725 /nfs/dbraw/zinc/40/47/25/701404725.db2.gz JTNFIGVSKUQHSL-UWERJEOXSA-N 2 2 343.899 1.676 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C/C=C\Cl)CC2(C)C)C1 ZINC000941230729 701404726 /nfs/dbraw/zinc/40/47/26/701404726.db2.gz JTNFIGVSKUQHSL-UWERJEOXSA-N 2 2 343.899 1.676 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C/C=C\Cl)CC2(C)C)C1 ZINC000941230729 701404727 /nfs/dbraw/zinc/40/47/27/701404727.db2.gz JTNFIGVSKUQHSL-UWERJEOXSA-N 2 2 343.899 1.676 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)CC2(C)C)C1 ZINC000941230729 701404728 /nfs/dbraw/zinc/40/47/28/701404728.db2.gz JTNFIGVSKUQHSL-UWERJEOXSA-N 2 2 343.899 1.676 20 0 EDADLP CC1(C)C[N@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247906 701424504 /nfs/dbraw/zinc/42/45/04/701424504.db2.gz RNQNMHLAGNAOEQ-KRWDZBQOSA-N 2 2 348.491 1.917 20 0 EDADLP CC1(C)C[N@@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247906 701424505 /nfs/dbraw/zinc/42/45/05/701424505.db2.gz RNQNMHLAGNAOEQ-KRWDZBQOSA-N 2 2 348.491 1.917 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3csc(C)c3)C2)C1 ZINC001032200399 701844743 /nfs/dbraw/zinc/84/47/43/701844743.db2.gz TVALBJGZJZHOOE-INIZCTEOSA-N 2 2 337.489 1.325 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3csc(C)c3)C2)C1 ZINC001032200399 701844751 /nfs/dbraw/zinc/84/47/51/701844751.db2.gz TVALBJGZJZHOOE-INIZCTEOSA-N 2 2 337.489 1.325 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1C[NH+](Cc3cccnc3)C1)C2 ZINC001031975578 701883937 /nfs/dbraw/zinc/88/39/37/701883937.db2.gz VWZODVJSVLVFCJ-QGZVFWFLSA-N 2 2 339.443 1.397 20 0 EDADLP Cc1conc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995182611 702086944 /nfs/dbraw/zinc/08/69/44/702086944.db2.gz JJXWJOIBCUOKPM-KBPBESRZSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000995186986 702193402 /nfs/dbraw/zinc/19/34/02/702193402.db2.gz QYGARWHECFOYTJ-GOEBONIOSA-N 2 2 342.447 1.434 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)n1 ZINC000995900184 702206473 /nfs/dbraw/zinc/20/64/73/702206473.db2.gz XGJHFQTWVTXNJG-BBRMVZONSA-N 2 2 349.479 1.299 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)n1 ZINC000944170450 702414371 /nfs/dbraw/zinc/41/43/71/702414371.db2.gz UAOZMGOJOAZGNY-UONOGXRCSA-N 2 2 347.463 1.054 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)n1 ZINC000944170450 702414375 /nfs/dbraw/zinc/41/43/75/702414375.db2.gz UAOZMGOJOAZGNY-UONOGXRCSA-N 2 2 347.463 1.054 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)on1 ZINC000996043628 702461832 /nfs/dbraw/zinc/46/18/32/702461832.db2.gz OSGNZGNWNSPUTB-AWEZNQCLSA-N 2 2 347.419 1.215 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000996106153 702566630 /nfs/dbraw/zinc/56/66/30/702566630.db2.gz NFXPETWHXYJBGR-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1[NH2+]CC1CC1 ZINC000996190607 702595493 /nfs/dbraw/zinc/59/54/93/702595493.db2.gz MEJJJEDRBKVSGD-MSOLQXFVSA-N 2 2 349.519 1.866 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1[NH2+]CC1CC1 ZINC000996190607 702595496 /nfs/dbraw/zinc/59/54/96/702595496.db2.gz MEJJJEDRBKVSGD-MSOLQXFVSA-N 2 2 349.519 1.866 20 0 EDADLP CC(C)[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996194069 702620681 /nfs/dbraw/zinc/62/06/81/702620681.db2.gz XCXPXHSPBLLXIR-SJORKVTESA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996194069 702620682 /nfs/dbraw/zinc/62/06/82/702620682.db2.gz XCXPXHSPBLLXIR-SJORKVTESA-N 2 2 337.508 1.865 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)o1 ZINC000996300267 702691587 /nfs/dbraw/zinc/69/15/87/702691587.db2.gz LBTJFUMWPYMOIA-UONOGXRCSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)o1 ZINC000996300267 702691588 /nfs/dbraw/zinc/69/15/88/702691588.db2.gz LBTJFUMWPYMOIA-UONOGXRCSA-N 2 2 349.479 1.300 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3nncs3)C(C)(C)C2)C1 ZINC000996300396 702691922 /nfs/dbraw/zinc/69/19/22/702691922.db2.gz LKIFKSMHKVUICS-QWHCGFSZSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3nncs3)C(C)(C)C2)C1 ZINC000996300396 702691924 /nfs/dbraw/zinc/69/19/24/702691924.db2.gz LKIFKSMHKVUICS-QWHCGFSZSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)n1 ZINC000996300406 702691957 /nfs/dbraw/zinc/69/19/57/702691957.db2.gz LSFVOGOYAAYCJC-OCCSQVGLSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)n1 ZINC000996300406 702691958 /nfs/dbraw/zinc/69/19/58/702691958.db2.gz LSFVOGOYAAYCJC-OCCSQVGLSA-N 2 2 335.452 1.046 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)n1 ZINC000996301175 702692971 /nfs/dbraw/zinc/69/29/71/702692971.db2.gz RCRDMUOIPDDENR-ZIAGYGMSSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)s1 ZINC000996353872 702731827 /nfs/dbraw/zinc/73/18/27/702731827.db2.gz DQOCDGBNHOYSCJ-ZDUSSCGKSA-N 2 2 333.461 1.744 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000996354940 702732755 /nfs/dbraw/zinc/73/27/55/702732755.db2.gz JXLMSVDGMCPWKB-IAGOWNOFSA-N 2 2 342.443 1.512 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)n1 ZINC000942256075 702747503 /nfs/dbraw/zinc/74/75/03/702747503.db2.gz COTZXOGESYRWFF-UKRRQHHQSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)n1 ZINC000942256075 702747505 /nfs/dbraw/zinc/74/75/05/702747505.db2.gz COTZXOGESYRWFF-UKRRQHHQSA-N 2 2 347.463 1.333 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399838 702756521 /nfs/dbraw/zinc/75/65/21/702756521.db2.gz TUPIXIXLCDOQIJ-PBHICJAKSA-N 2 2 348.491 1.842 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399838 702756523 /nfs/dbraw/zinc/75/65/23/702756523.db2.gz TUPIXIXLCDOQIJ-PBHICJAKSA-N 2 2 348.491 1.842 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942260576 702769806 /nfs/dbraw/zinc/76/98/06/702769806.db2.gz YOLYZNMOXFDRIG-ZFWWWQNUSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942260576 702769807 /nfs/dbraw/zinc/76/98/07/702769807.db2.gz YOLYZNMOXFDRIG-ZFWWWQNUSA-N 2 2 347.463 1.333 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC000996513238 702832274 /nfs/dbraw/zinc/83/22/74/702832274.db2.gz HPUOICFBGJAFIF-HOTGVXAUSA-N 2 2 348.491 1.604 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996515595 702851404 /nfs/dbraw/zinc/85/14/04/702851404.db2.gz UADCHNAXYIYXQF-OAHLLOKOSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996565556 702886799 /nfs/dbraw/zinc/88/67/99/702886799.db2.gz ZINYBVVAVGTBBJ-CYBMUJFWSA-N 2 2 334.449 1.139 20 0 EDADLP CCc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC000995242214 702913314 /nfs/dbraw/zinc/91/33/14/702913314.db2.gz GLVIWURQBWVIIU-KGLIPLIRSA-N 2 2 331.420 1.508 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996610648 702915696 /nfs/dbraw/zinc/91/56/96/702915696.db2.gz JMFFIGUMBIBYMN-OCCSQVGLSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996610634 702915810 /nfs/dbraw/zinc/91/58/10/702915810.db2.gz JMFFIGUMBIBYMN-GXTWGEPZSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000996611759 702917076 /nfs/dbraw/zinc/91/70/76/702917076.db2.gz OTPMKYDZHLKSSF-AWEZNQCLSA-N 2 2 333.461 1.675 20 0 EDADLP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000996609465 702920224 /nfs/dbraw/zinc/92/02/24/702920224.db2.gz HADHDDBTOPRSKE-AWEZNQCLSA-N 2 2 346.479 1.105 20 0 EDADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC001032313234 702960320 /nfs/dbraw/zinc/96/03/20/702960320.db2.gz GMAVACWALUKGES-KKUMJFAQSA-N 2 2 334.489 1.639 20 0 EDADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001032313234 702960322 /nfs/dbraw/zinc/96/03/22/702960322.db2.gz GMAVACWALUKGES-KKUMJFAQSA-N 2 2 334.489 1.639 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)s1 ZINC001032313234 702960323 /nfs/dbraw/zinc/96/03/23/702960323.db2.gz GMAVACWALUKGES-KKUMJFAQSA-N 2 2 334.489 1.639 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)s1 ZINC001032313234 702960325 /nfs/dbraw/zinc/96/03/25/702960325.db2.gz GMAVACWALUKGES-KKUMJFAQSA-N 2 2 334.489 1.639 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccccc1 ZINC001032315307 702968775 /nfs/dbraw/zinc/96/87/75/702968775.db2.gz ICYZZTDEEXMUIY-BQFCYCMXSA-N 2 2 329.444 1.445 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccccc1 ZINC001032315307 702968777 /nfs/dbraw/zinc/96/87/77/702968777.db2.gz ICYZZTDEEXMUIY-BQFCYCMXSA-N 2 2 329.444 1.445 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1 ZINC001032315307 702968781 /nfs/dbraw/zinc/96/87/81/702968781.db2.gz ICYZZTDEEXMUIY-BQFCYCMXSA-N 2 2 329.444 1.445 20 0 EDADLP COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)ccc1C ZINC001032315746 702980415 /nfs/dbraw/zinc/98/04/15/702980415.db2.gz WUSUWECAUGRUIB-BZSNNMDCSA-N 2 2 343.471 1.883 20 0 EDADLP COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)ccc1C ZINC001032315746 702980418 /nfs/dbraw/zinc/98/04/18/702980418.db2.gz WUSUWECAUGRUIB-BZSNNMDCSA-N 2 2 343.471 1.883 20 0 EDADLP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)ccc1C ZINC001032315746 702980426 /nfs/dbraw/zinc/98/04/26/702980426.db2.gz WUSUWECAUGRUIB-BZSNNMDCSA-N 2 2 343.471 1.883 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCc1ccns1 ZINC000996711874 703006599 /nfs/dbraw/zinc/00/65/99/703006599.db2.gz CGFMPRYFWSKVSQ-CQSZACIVSA-N 2 2 333.461 1.409 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)c1 ZINC000996718286 703012222 /nfs/dbraw/zinc/01/22/22/703012222.db2.gz WWGPVXLQTPMJET-QGZVFWFLSA-N 2 2 342.443 1.919 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)n1 ZINC000996716499 703015443 /nfs/dbraw/zinc/01/54/43/703015443.db2.gz RCONRSBAXMTUJH-INIZCTEOSA-N 2 2 344.463 1.223 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)o1 ZINC000942555420 703068811 /nfs/dbraw/zinc/06/88/11/703068811.db2.gz JWZWANUIYDEHSF-HIFRSBDPSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)o1 ZINC000942555420 703068814 /nfs/dbraw/zinc/06/88/14/703068814.db2.gz JWZWANUIYDEHSF-HIFRSBDPSA-N 2 2 349.479 1.579 20 0 EDADLP CC(C)[NH+]1CCN(C2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000996801852 703087823 /nfs/dbraw/zinc/08/78/23/703087823.db2.gz INHUBUREXGJZRW-UHFFFAOYSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CCO1 ZINC000996861711 703144753 /nfs/dbraw/zinc/14/47/53/703144753.db2.gz ZRBUKRLFWGIEFB-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH2+]CC(C)C)CC1 ZINC000996865059 703147202 /nfs/dbraw/zinc/14/72/02/703147202.db2.gz PSKGMJSVWYBZHE-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH2+]CC(C)C)CC1 ZINC000996865059 703147204 /nfs/dbraw/zinc/14/72/04/703147204.db2.gz PSKGMJSVWYBZHE-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000996912459 703182476 /nfs/dbraw/zinc/18/24/76/703182476.db2.gz WVGQKRHBQFSVGJ-SFHVURJKSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000996912459 703182478 /nfs/dbraw/zinc/18/24/78/703182478.db2.gz WVGQKRHBQFSVGJ-SFHVURJKSA-N 2 2 337.508 1.866 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996989286 703246408 /nfs/dbraw/zinc/24/64/08/703246408.db2.gz MUYQWHAZIJSSAU-GDBMZVCRSA-N 2 2 346.475 1.837 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000997040432 703291026 /nfs/dbraw/zinc/29/10/26/703291026.db2.gz GSVBQHPXQPNCFW-QGZVFWFLSA-N 2 2 328.416 1.266 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000997042293 703292350 /nfs/dbraw/zinc/29/23/50/703292350.db2.gz OVWOKDPRKAOMHS-UHFFFAOYSA-N 2 2 329.404 1.137 20 0 EDADLP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997084234 703322594 /nfs/dbraw/zinc/32/25/94/703322594.db2.gz LIRCOZYSBHJXMJ-AWEZNQCLSA-N 2 2 344.463 1.586 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000997118791 703375498 /nfs/dbraw/zinc/37/54/98/703375498.db2.gz KFTPCYOWPVLPIY-MRXNPFEDSA-N 2 2 334.464 1.474 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032400271 703414244 /nfs/dbraw/zinc/41/42/44/703414244.db2.gz BAUPOHKOFGZKMB-YQQAZPJKSA-N 2 2 331.464 1.078 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032400271 703414245 /nfs/dbraw/zinc/41/42/45/703414245.db2.gz BAUPOHKOFGZKMB-YQQAZPJKSA-N 2 2 331.464 1.078 20 0 EDADLP CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407645 703433185 /nfs/dbraw/zinc/43/31/85/703433185.db2.gz LZGKTCZYHXDIFI-YESZJQIVSA-N 2 2 344.459 1.364 20 0 EDADLP CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407645 703433186 /nfs/dbraw/zinc/43/31/86/703433186.db2.gz LZGKTCZYHXDIFI-YESZJQIVSA-N 2 2 344.459 1.364 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)cn1 ZINC000997183719 703469109 /nfs/dbraw/zinc/46/91/09/703469109.db2.gz UXONKONRGPUGHO-UHFFFAOYSA-N 2 2 342.447 1.567 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)c(C)o1 ZINC000997180761 703471164 /nfs/dbraw/zinc/47/11/64/703471164.db2.gz VXYRCEJYJWTYFK-UHFFFAOYSA-N 2 2 331.420 1.348 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH+](CCCO)CC1 ZINC000997185700 703474643 /nfs/dbraw/zinc/47/46/43/703474643.db2.gz IGYNLSIAHJAUPB-GDBMZVCRSA-N 2 2 334.464 1.045 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000997186530 703476065 /nfs/dbraw/zinc/47/60/65/703476065.db2.gz OAUBTAWLLIKYCL-UHFFFAOYSA-N 2 2 346.460 1.394 20 0 EDADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001032417286 703499083 /nfs/dbraw/zinc/49/90/83/703499083.db2.gz VJZQYWDLZGERSV-ZQIUZPCESA-N 2 2 331.464 1.875 20 0 EDADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001032417286 703499085 /nfs/dbraw/zinc/49/90/85/703499085.db2.gz VJZQYWDLZGERSV-ZQIUZPCESA-N 2 2 331.464 1.875 20 0 EDADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001032417286 703499086 /nfs/dbraw/zinc/49/90/86/703499086.db2.gz VJZQYWDLZGERSV-ZQIUZPCESA-N 2 2 331.464 1.875 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2ncccc2C)CC1 ZINC000997210687 703510059 /nfs/dbraw/zinc/51/00/59/703510059.db2.gz LSEQWGXETPDGOD-UHFFFAOYSA-N 2 2 327.432 1.745 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032703111 706751918 /nfs/dbraw/zinc/75/19/18/706751918.db2.gz LSMSKKYOKZGGQF-HOTGVXAUSA-N 2 2 329.379 1.526 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032703111 706751921 /nfs/dbraw/zinc/75/19/21/706751921.db2.gz LSMSKKYOKZGGQF-HOTGVXAUSA-N 2 2 329.379 1.526 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1 ZINC001032437660 703606371 /nfs/dbraw/zinc/60/63/71/703606371.db2.gz LPMRHBWTUAHBDR-XIRDDKMYSA-N 2 2 332.448 1.444 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1 ZINC001032437660 703606372 /nfs/dbraw/zinc/60/63/72/703606372.db2.gz LPMRHBWTUAHBDR-XIRDDKMYSA-N 2 2 332.448 1.444 20 0 EDADLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)cc1 ZINC001032447208 703616171 /nfs/dbraw/zinc/61/61/71/703616171.db2.gz FZAGDDSNJKOKAL-ROUUACIJSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)cc1 ZINC001032447208 703616173 /nfs/dbraw/zinc/61/61/73/703616173.db2.gz FZAGDDSNJKOKAL-ROUUACIJSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C2CCC2)cc1 ZINC001032447208 703616175 /nfs/dbraw/zinc/61/61/75/703616175.db2.gz FZAGDDSNJKOKAL-ROUUACIJSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001032447208 703616176 /nfs/dbraw/zinc/61/61/76/703616176.db2.gz FZAGDDSNJKOKAL-ROUUACIJSA-N 2 2 343.471 1.965 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000997413878 703668655 /nfs/dbraw/zinc/66/86/55/703668655.db2.gz SNVSHKVYQKYLIB-UHFFFAOYSA-N 2 2 334.370 1.942 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000997597743 703887908 /nfs/dbraw/zinc/88/79/08/703887908.db2.gz YUWKMVAMHFUPQK-WOSRLPQWSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000997597743 703887909 /nfs/dbraw/zinc/88/79/09/703887909.db2.gz YUWKMVAMHFUPQK-WOSRLPQWSA-N 2 2 349.479 1.435 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001004201864 703931993 /nfs/dbraw/zinc/93/19/93/703931993.db2.gz ANSFQNCBCXQZJO-HUUCEWRRSA-N 2 2 331.464 1.430 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)[nH]1 ZINC000995549821 703933720 /nfs/dbraw/zinc/93/37/20/703933720.db2.gz FSERHZUZTOAOBG-ZIAGYGMSSA-N 2 2 348.495 1.349 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)[nH]1 ZINC000995549821 703933722 /nfs/dbraw/zinc/93/37/22/703933722.db2.gz FSERHZUZTOAOBG-ZIAGYGMSSA-N 2 2 348.495 1.349 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001004202600 703935553 /nfs/dbraw/zinc/93/55/53/703935553.db2.gz DTKZAOCGQSGDRE-GASCZTMLSA-N 2 2 333.480 1.374 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001004202600 703935554 /nfs/dbraw/zinc/93/55/54/703935554.db2.gz DTKZAOCGQSGDRE-GASCZTMLSA-N 2 2 333.480 1.374 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001004203255 703938746 /nfs/dbraw/zinc/93/87/46/703938746.db2.gz KIZLYDLRBDFSPR-CHWSQXEVSA-N 2 2 335.452 1.331 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001004210473 703954022 /nfs/dbraw/zinc/95/40/22/703954022.db2.gz WDUWBDXZRCMGSN-GOEBONIOSA-N 2 2 348.495 1.331 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001004210473 703954025 /nfs/dbraw/zinc/95/40/25/703954025.db2.gz WDUWBDXZRCMGSN-GOEBONIOSA-N 2 2 348.495 1.331 20 0 EDADLP COc1ccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)cc1C ZINC001004257013 704084394 /nfs/dbraw/zinc/08/43/94/704084394.db2.gz HMOWOCPZUZPHRU-UHFFFAOYSA-N 2 2 342.443 1.981 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081721 704137343 /nfs/dbraw/zinc/13/73/43/704137343.db2.gz NPCZXCREADVGPK-SJORKVTESA-N 2 2 345.491 1.278 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081721 704137346 /nfs/dbraw/zinc/13/73/46/704137346.db2.gz NPCZXCREADVGPK-SJORKVTESA-N 2 2 345.491 1.278 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000997738498 704635813 /nfs/dbraw/zinc/63/58/13/704635813.db2.gz MZPFIHDVQQLDDV-GFCCVEGCSA-N 2 2 346.435 1.623 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)s1 ZINC000944946496 704799345 /nfs/dbraw/zinc/79/93/45/704799345.db2.gz WTVGAUQXOZLGPI-JSGCOSHPSA-N 2 2 337.493 1.269 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)s1 ZINC000944946496 704799346 /nfs/dbraw/zinc/79/93/46/704799346.db2.gz WTVGAUQXOZLGPI-JSGCOSHPSA-N 2 2 337.493 1.269 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1C ZINC000944965130 704834786 /nfs/dbraw/zinc/83/47/86/704834786.db2.gz QQGMWNUYRVUTSR-GUYCJALGSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1C ZINC000944965130 704834792 /nfs/dbraw/zinc/83/47/92/704834792.db2.gz QQGMWNUYRVUTSR-GUYCJALGSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+][C@@H](C)c2noc(C)n2)CC1 ZINC000997915945 704980404 /nfs/dbraw/zinc/98/04/04/704980404.db2.gz QLVATMODMONYLM-ZDUSSCGKSA-N 2 2 346.435 1.472 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000997953634 705083135 /nfs/dbraw/zinc/08/31/35/705083135.db2.gz XEJINTYYDWHJNT-UHFFFAOYSA-N 2 2 331.420 1.598 20 0 EDADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998052935 705256614 /nfs/dbraw/zinc/25/66/14/705256614.db2.gz RCMHSAWIDFVUIF-IRXDYDNUSA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998052935 705256616 /nfs/dbraw/zinc/25/66/16/705256616.db2.gz RCMHSAWIDFVUIF-IRXDYDNUSA-N 2 2 348.491 1.531 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C[C@@H](O)c1ccccc1 ZINC001038602821 705287528 /nfs/dbraw/zinc/28/75/28/705287528.db2.gz DZYYWODUILRKLB-FGTMMUONSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C[C@@H](O)c1ccccc1 ZINC001038602821 705287531 /nfs/dbraw/zinc/28/75/31/705287531.db2.gz DZYYWODUILRKLB-FGTMMUONSA-N 2 2 331.460 1.395 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001038602821 705287534 /nfs/dbraw/zinc/28/75/34/705287534.db2.gz DZYYWODUILRKLB-FGTMMUONSA-N 2 2 331.460 1.395 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC001038602821 705287538 /nfs/dbraw/zinc/28/75/38/705287538.db2.gz DZYYWODUILRKLB-FGTMMUONSA-N 2 2 331.460 1.395 20 0 EDADLP Cc1ccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c(C)n1 ZINC000998115785 705370360 /nfs/dbraw/zinc/37/03/60/705370360.db2.gz OSGOONWHQDSJCD-UHFFFAOYSA-N 2 2 341.459 1.992 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998128585 705391252 /nfs/dbraw/zinc/39/12/52/705391252.db2.gz ZABOTAUZDQOHBB-GVDBMIGSSA-N 2 2 348.491 1.609 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998128585 705391253 /nfs/dbraw/zinc/39/12/53/705391253.db2.gz ZABOTAUZDQOHBB-GVDBMIGSSA-N 2 2 348.491 1.609 20 0 EDADLP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000998181577 705481795 /nfs/dbraw/zinc/48/17/95/705481795.db2.gz HEEHZXAKPNGYNY-UHFFFAOYSA-N 2 2 330.436 1.023 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000998297492 705700107 /nfs/dbraw/zinc/70/01/07/705700107.db2.gz KIGZFJZQAPXSQJ-UHFFFAOYSA-N 2 2 344.419 1.172 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]Cc3ccn(C)n3)C2)c[nH+]1 ZINC000998986698 706418673 /nfs/dbraw/zinc/41/86/73/706418673.db2.gz HZEHUYGRBIISIE-UHFFFAOYSA-N 2 2 344.463 1.439 20 0 EDADLP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)o1 ZINC000999008355 706428064 /nfs/dbraw/zinc/42/80/64/706428064.db2.gz WNFORYHQJXYXMG-NFOMZHRRSA-N 2 2 343.431 1.521 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC000999035155 706450164 /nfs/dbraw/zinc/45/01/64/706450164.db2.gz MXZDHBVTQCZUPN-OAHLLOKOSA-N 2 2 343.431 1.527 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1)C(N)=O ZINC000999152218 706581156 /nfs/dbraw/zinc/58/11/56/706581156.db2.gz KDOSMIJBKBTMAR-HUUCEWRRSA-N 2 2 343.431 1.101 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999362565 706875953 /nfs/dbraw/zinc/87/59/53/706875953.db2.gz BRSJTZSZGQLMQJ-CQSZACIVSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999362565 706875955 /nfs/dbraw/zinc/87/59/55/706875955.db2.gz BRSJTZSZGQLMQJ-CQSZACIVSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1)[NH+](C)C ZINC000999435752 706943215 /nfs/dbraw/zinc/94/32/15/706943215.db2.gz SFDNCSQDHZDFKU-OCCSQVGLSA-N 2 2 325.482 1.205 20 0 EDADLP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC000999474113 706982988 /nfs/dbraw/zinc/98/29/88/706982988.db2.gz QMWSCXIDUOPITE-UHFFFAOYSA-N 2 2 330.436 1.509 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000999504746 707001868 /nfs/dbraw/zinc/00/18/68/707001868.db2.gz RUKJQTVSIPWKJA-ZFWWWQNUSA-N 2 2 328.416 1.794 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)s1 ZINC000999598659 707101441 /nfs/dbraw/zinc/10/14/41/707101441.db2.gz WPONKVMNAURSSE-AWEZNQCLSA-N 2 2 349.504 1.556 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000999690477 707247515 /nfs/dbraw/zinc/24/75/15/707247515.db2.gz YYZAONFNLQUDIQ-HSBZDZAISA-N 2 2 331.420 1.599 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+][C@@H](C)c2cnc(C)cn2)C1 ZINC000999752651 707354579 /nfs/dbraw/zinc/35/45/79/707354579.db2.gz GQWIOUHKUPGOTI-NFOMZHRRSA-N 2 2 342.447 1.699 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000999841159 707414675 /nfs/dbraw/zinc/41/46/75/707414675.db2.gz JKNKYCAYXNGUTD-QGZVFWFLSA-N 2 2 344.463 1.367 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199365 707445253 /nfs/dbraw/zinc/44/52/53/707445253.db2.gz RGVLWFPIXRQALK-RDJZCZTQSA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199365 707445260 /nfs/dbraw/zinc/44/52/60/707445260.db2.gz RGVLWFPIXRQALK-RDJZCZTQSA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199365 707445265 /nfs/dbraw/zinc/44/52/65/707445265.db2.gz RGVLWFPIXRQALK-RDJZCZTQSA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033199365 707445270 /nfs/dbraw/zinc/44/52/70/707445270.db2.gz RGVLWFPIXRQALK-RDJZCZTQSA-N 2 2 334.464 1.754 20 0 EDADLP CC(C)Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)no1 ZINC000999828812 707457317 /nfs/dbraw/zinc/45/73/17/707457317.db2.gz GFRFWSASHNVKMB-WLYUNCDWSA-N 2 2 349.479 1.299 20 0 EDADLP CC(C)Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)no1 ZINC000999828812 707457318 /nfs/dbraw/zinc/45/73/18/707457318.db2.gz GFRFWSASHNVKMB-WLYUNCDWSA-N 2 2 349.479 1.299 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999837137 707473473 /nfs/dbraw/zinc/47/34/73/707473473.db2.gz PVISFXVHUKDLBF-OAHLLOKOSA-N 2 2 345.447 1.913 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000999915020 707557015 /nfs/dbraw/zinc/55/70/15/707557015.db2.gz FRQGFWGXRRQPQZ-UHFFFAOYSA-N 2 2 345.451 1.009 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC2(CCC2)C1 ZINC001032732435 707737361 /nfs/dbraw/zinc/73/73/61/707737361.db2.gz BSHCBXDUPGWVTP-IRXDYDNUSA-N 2 2 328.460 1.828 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC2(CCC2)C1 ZINC001032732435 707737364 /nfs/dbraw/zinc/73/73/64/707737364.db2.gz BSHCBXDUPGWVTP-IRXDYDNUSA-N 2 2 328.460 1.828 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC001032732416 707737412 /nfs/dbraw/zinc/73/74/12/707737412.db2.gz BIDDMYKIFHIHGQ-ULQDDVLXSA-N 2 2 332.448 1.063 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC001032732416 707737415 /nfs/dbraw/zinc/73/74/15/707737415.db2.gz BIDDMYKIFHIHGQ-ULQDDVLXSA-N 2 2 332.448 1.063 20 0 EDADLP C[C@@H]([NH2+]Cc1cccnc1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004977845 707814548 /nfs/dbraw/zinc/81/45/48/707814548.db2.gz RRUAWJIPPBSXCE-QAPCUYQASA-N 2 2 341.459 1.917 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)on1 ZINC001033425543 707844907 /nfs/dbraw/zinc/84/49/07/707844907.db2.gz KAYAYHCSOGFKGZ-OAHLLOKOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)on1 ZINC001033425543 707844910 /nfs/dbraw/zinc/84/49/10/707844910.db2.gz KAYAYHCSOGFKGZ-OAHLLOKOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)on1 ZINC001033425543 707844912 /nfs/dbraw/zinc/84/49/12/707844912.db2.gz KAYAYHCSOGFKGZ-OAHLLOKOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)on1 ZINC001033425543 707844913 /nfs/dbraw/zinc/84/49/13/707844913.db2.gz KAYAYHCSOGFKGZ-OAHLLOKOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC001000203484 707847194 /nfs/dbraw/zinc/84/71/94/707847194.db2.gz XBGXNNYORJYZGB-AWEZNQCLSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC001000203484 707847201 /nfs/dbraw/zinc/84/72/01/707847201.db2.gz XBGXNNYORJYZGB-AWEZNQCLSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001033225004 707849577 /nfs/dbraw/zinc/84/95/77/707849577.db2.gz BQHHLZPIMLLNEJ-KRWDZBQOSA-N 2 2 343.475 1.446 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001033225004 707849582 /nfs/dbraw/zinc/84/95/82/707849582.db2.gz BQHHLZPIMLLNEJ-KRWDZBQOSA-N 2 2 343.475 1.446 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccon1 ZINC001004991302 707856003 /nfs/dbraw/zinc/85/60/03/707856003.db2.gz LCEJLPGQLDNBLR-CZUORRHYSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cnns1 ZINC001004999143 707868316 /nfs/dbraw/zinc/86/83/16/707868316.db2.gz XCWNUSOTZMTLDP-SWLSCSKDSA-N 2 2 348.476 1.672 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccc(F)cc1 ZINC001032782602 707975740 /nfs/dbraw/zinc/97/57/40/707975740.db2.gz IHEHBBBVFFFSFB-IRXDYDNUSA-N 2 2 347.434 1.585 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccc(F)cc1 ZINC001032782602 707975742 /nfs/dbraw/zinc/97/57/42/707975742.db2.gz IHEHBBBVFFFSFB-IRXDYDNUSA-N 2 2 347.434 1.585 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580396 708260859 /nfs/dbraw/zinc/26/08/59/708260859.db2.gz DJWNIRZSBIPYHW-HOTGVXAUSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580396 708260860 /nfs/dbraw/zinc/26/08/60/708260860.db2.gz DJWNIRZSBIPYHW-HOTGVXAUSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033580396 708260861 /nfs/dbraw/zinc/26/08/61/708260861.db2.gz DJWNIRZSBIPYHW-HOTGVXAUSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033580396 708260862 /nfs/dbraw/zinc/26/08/62/708260862.db2.gz DJWNIRZSBIPYHW-HOTGVXAUSA-N 2 2 333.480 1.278 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001033591394 708288898 /nfs/dbraw/zinc/28/88/98/708288898.db2.gz TYMOCPRTOASCSN-INIZCTEOSA-N 2 2 344.463 1.009 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC001033591394 708288900 /nfs/dbraw/zinc/28/89/00/708288900.db2.gz TYMOCPRTOASCSN-INIZCTEOSA-N 2 2 344.463 1.009 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033592360 708290730 /nfs/dbraw/zinc/29/07/30/708290730.db2.gz FZBFNBFBBWNMQZ-OCCSQVGLSA-N 2 2 333.436 1.068 20 0 EDADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033592360 708290731 /nfs/dbraw/zinc/29/07/31/708290731.db2.gz FZBFNBFBBWNMQZ-OCCSQVGLSA-N 2 2 333.436 1.068 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033596353 708300688 /nfs/dbraw/zinc/30/06/88/708300688.db2.gz YNEQDGVZJUVHPQ-CQSZACIVSA-N 2 2 332.473 1.800 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033596353 708300692 /nfs/dbraw/zinc/30/06/92/708300692.db2.gz YNEQDGVZJUVHPQ-CQSZACIVSA-N 2 2 332.473 1.800 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001033617432 708345244 /nfs/dbraw/zinc/34/52/44/708345244.db2.gz UFPSWPFZVRDQIG-HOTGVXAUSA-N 2 2 334.464 1.753 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001033617432 708345247 /nfs/dbraw/zinc/34/52/47/708345247.db2.gz UFPSWPFZVRDQIG-HOTGVXAUSA-N 2 2 334.464 1.753 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001033675095 708483402 /nfs/dbraw/zinc/48/34/02/708483402.db2.gz LXDIHDLWXZUGEB-OLZOCXBDSA-N 2 2 337.386 1.192 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001033675095 708483404 /nfs/dbraw/zinc/48/34/04/708483404.db2.gz LXDIHDLWXZUGEB-OLZOCXBDSA-N 2 2 337.386 1.192 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC(F)(F)F)C2)C1 ZINC001033675095 708483406 /nfs/dbraw/zinc/48/34/06/708483406.db2.gz LXDIHDLWXZUGEB-OLZOCXBDSA-N 2 2 337.386 1.192 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC(F)(F)F)C2)C1 ZINC001033675095 708483407 /nfs/dbraw/zinc/48/34/07/708483407.db2.gz LXDIHDLWXZUGEB-OLZOCXBDSA-N 2 2 337.386 1.192 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033685421 708499138 /nfs/dbraw/zinc/49/91/38/708499138.db2.gz LHVZQIQTMYZGEC-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033685421 708499141 /nfs/dbraw/zinc/49/91/41/708499141.db2.gz LHVZQIQTMYZGEC-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033685421 708499142 /nfs/dbraw/zinc/49/91/42/708499142.db2.gz LHVZQIQTMYZGEC-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033685421 708499144 /nfs/dbraw/zinc/49/91/44/708499144.db2.gz LHVZQIQTMYZGEC-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033777345 708705113 /nfs/dbraw/zinc/70/51/13/708705113.db2.gz VEAUFHBHWXYVPA-RDJZCZTQSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033777345 708705115 /nfs/dbraw/zinc/70/51/15/708705115.db2.gz VEAUFHBHWXYVPA-RDJZCZTQSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001033777345 708705118 /nfs/dbraw/zinc/70/51/18/708705118.db2.gz VEAUFHBHWXYVPA-RDJZCZTQSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001033777345 708705121 /nfs/dbraw/zinc/70/51/21/708705121.db2.gz VEAUFHBHWXYVPA-RDJZCZTQSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033790756 708715942 /nfs/dbraw/zinc/71/59/42/708715942.db2.gz YDUQNQGGPQSQBP-MSOLQXFVSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033790756 708715944 /nfs/dbraw/zinc/71/59/44/708715944.db2.gz YDUQNQGGPQSQBP-MSOLQXFVSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001033790756 708715947 /nfs/dbraw/zinc/71/59/47/708715947.db2.gz YDUQNQGGPQSQBP-MSOLQXFVSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001033790756 708715950 /nfs/dbraw/zinc/71/59/50/708715950.db2.gz YDUQNQGGPQSQBP-MSOLQXFVSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001033932434 709090596 /nfs/dbraw/zinc/09/05/96/709090596.db2.gz NLVTWQYUSWYGDG-MCXNIAKKSA-N 2 2 343.899 1.771 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001033932434 709090599 /nfs/dbraw/zinc/09/05/99/709090599.db2.gz NLVTWQYUSWYGDG-MCXNIAKKSA-N 2 2 343.899 1.771 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001033932434 709090601 /nfs/dbraw/zinc/09/06/01/709090601.db2.gz NLVTWQYUSWYGDG-MCXNIAKKSA-N 2 2 343.899 1.771 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001033932434 709090602 /nfs/dbraw/zinc/09/06/02/709090602.db2.gz NLVTWQYUSWYGDG-MCXNIAKKSA-N 2 2 343.899 1.771 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001033941233 709147845 /nfs/dbraw/zinc/14/78/45/709147845.db2.gz NULXOBGHGUWKKK-RDJZCZTQSA-N 2 2 345.491 1.802 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001033941233 709147846 /nfs/dbraw/zinc/14/78/46/709147846.db2.gz NULXOBGHGUWKKK-RDJZCZTQSA-N 2 2 345.491 1.802 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034015802 709232156 /nfs/dbraw/zinc/23/21/56/709232156.db2.gz PFWCGLWBNZJIKG-HOCLYGCPSA-N 2 2 343.431 1.185 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034015802 709232158 /nfs/dbraw/zinc/23/21/58/709232158.db2.gz PFWCGLWBNZJIKG-HOCLYGCPSA-N 2 2 343.431 1.185 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001034018084 709235883 /nfs/dbraw/zinc/23/58/83/709235883.db2.gz WFRPDFFSRKPVER-CQSZACIVSA-N 2 2 348.447 1.202 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001034018084 709235885 /nfs/dbraw/zinc/23/58/85/709235885.db2.gz WFRPDFFSRKPVER-CQSZACIVSA-N 2 2 348.447 1.202 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)co1 ZINC001002790995 709398669 /nfs/dbraw/zinc/39/86/69/709398669.db2.gz DAESMMAHNQCQRC-QGZVFWFLSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)co1 ZINC001002790995 709398671 /nfs/dbraw/zinc/39/86/71/709398671.db2.gz DAESMMAHNQCQRC-QGZVFWFLSA-N 2 2 334.464 1.936 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nccs3)CC2)CC[N@@H+]1C ZINC001002858910 709466715 /nfs/dbraw/zinc/46/67/15/709466715.db2.gz IOUYVBGWNOUYBW-LSDHHAIUSA-N 2 2 336.505 1.954 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nccs3)CC2)CC[N@H+]1C ZINC001002858910 709466717 /nfs/dbraw/zinc/46/67/17/709466717.db2.gz IOUYVBGWNOUYBW-LSDHHAIUSA-N 2 2 336.505 1.954 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)on1 ZINC001034271497 709678545 /nfs/dbraw/zinc/67/85/45/709678545.db2.gz NVZNPDIZNUMOJZ-WBVHZDCISA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)on1 ZINC001034271497 709678548 /nfs/dbraw/zinc/67/85/48/709678548.db2.gz NVZNPDIZNUMOJZ-WBVHZDCISA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)on1 ZINC001034271497 709678551 /nfs/dbraw/zinc/67/85/51/709678551.db2.gz NVZNPDIZNUMOJZ-WBVHZDCISA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)on1 ZINC001034271497 709678553 /nfs/dbraw/zinc/67/85/53/709678553.db2.gz NVZNPDIZNUMOJZ-WBVHZDCISA-N 2 2 334.464 1.938 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC001034309416 709751484 /nfs/dbraw/zinc/75/14/84/709751484.db2.gz LUTFUUODOBWDFO-AWEZNQCLSA-N 2 2 347.419 1.359 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC001034309416 709751488 /nfs/dbraw/zinc/75/14/88/709751488.db2.gz LUTFUUODOBWDFO-AWEZNQCLSA-N 2 2 347.419 1.359 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3nccn3C)CC2)C1 ZINC001003008500 709791743 /nfs/dbraw/zinc/79/17/43/709791743.db2.gz QDFIYDOAJGBRPF-INIZCTEOSA-N 2 2 347.507 1.479 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3nccn3C)CC2)C1 ZINC001003008500 709791746 /nfs/dbraw/zinc/79/17/46/709791746.db2.gz QDFIYDOAJGBRPF-INIZCTEOSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034377859 709898030 /nfs/dbraw/zinc/89/80/30/709898030.db2.gz MRWTWTYQFFACHS-DOTOQJQBSA-N 2 2 345.491 1.850 20 0 EDADLP C[C@@H](c1ncccn1)[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034377859 709898036 /nfs/dbraw/zinc/89/80/36/709898036.db2.gz MRWTWTYQFFACHS-DOTOQJQBSA-N 2 2 345.491 1.850 20 0 EDADLP Cn1cncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034395354 709932735 /nfs/dbraw/zinc/93/27/35/709932735.db2.gz WSGVQJROVNVCSQ-MRXNPFEDSA-N 2 2 347.507 1.623 20 0 EDADLP Cn1cncc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034395354 709932739 /nfs/dbraw/zinc/93/27/39/709932739.db2.gz WSGVQJROVNVCSQ-MRXNPFEDSA-N 2 2 347.507 1.623 20 0 EDADLP Cn1cncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034395354 709932743 /nfs/dbraw/zinc/93/27/43/709932743.db2.gz WSGVQJROVNVCSQ-MRXNPFEDSA-N 2 2 347.507 1.623 20 0 EDADLP Cn1cncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034395354 709932748 /nfs/dbraw/zinc/93/27/48/709932748.db2.gz WSGVQJROVNVCSQ-MRXNPFEDSA-N 2 2 347.507 1.623 20 0 EDADLP CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034397170 709937223 /nfs/dbraw/zinc/93/72/23/709937223.db2.gz HPXVRXFJSGXYKK-CVEARBPZSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034397170 709937226 /nfs/dbraw/zinc/93/72/26/709937226.db2.gz HPXVRXFJSGXYKK-CVEARBPZSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034397170 709937229 /nfs/dbraw/zinc/93/72/29/709937229.db2.gz HPXVRXFJSGXYKK-CVEARBPZSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034397170 709937232 /nfs/dbraw/zinc/93/72/32/709937232.db2.gz HPXVRXFJSGXYKK-CVEARBPZSA-N 2 2 348.495 1.111 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003146567 710045133 /nfs/dbraw/zinc/04/51/33/710045133.db2.gz SPNMGWZXBIQLDV-SJORKVTESA-N 2 2 345.491 1.518 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003146567 710045137 /nfs/dbraw/zinc/04/51/37/710045137.db2.gz SPNMGWZXBIQLDV-SJORKVTESA-N 2 2 345.491 1.518 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001003158393 710065786 /nfs/dbraw/zinc/06/57/86/710065786.db2.gz HYWOUWHTSHJEAB-HIFRSBDPSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001003158393 710065792 /nfs/dbraw/zinc/06/57/92/710065792.db2.gz HYWOUWHTSHJEAB-HIFRSBDPSA-N 2 2 349.479 1.758 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001003167784 710079388 /nfs/dbraw/zinc/07/93/88/710079388.db2.gz PKTWSOYJGQERTP-QGZVFWFLSA-N 2 2 334.439 1.786 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001003167784 710079395 /nfs/dbraw/zinc/07/93/95/710079395.db2.gz PKTWSOYJGQERTP-QGZVFWFLSA-N 2 2 334.439 1.786 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001003169422 710082028 /nfs/dbraw/zinc/08/20/28/710082028.db2.gz XOISJSYVNSUPJX-INIZCTEOSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001003169422 710082033 /nfs/dbraw/zinc/08/20/33/710082033.db2.gz XOISJSYVNSUPJX-INIZCTEOSA-N 2 2 334.464 1.802 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCCO2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001003181192 710097607 /nfs/dbraw/zinc/09/76/07/710097607.db2.gz ZLMJWWQTRVDZLW-CRAIPNDOSA-N 2 2 346.475 1.595 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001003189109 710105925 /nfs/dbraw/zinc/10/59/25/710105925.db2.gz DNKGOJGURRRBEL-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](Cc3cnns3)C2)C1 ZINC001034491281 710110702 /nfs/dbraw/zinc/11/07/02/710110702.db2.gz ROASFIILGVIYHG-KGLIPLIRSA-N 2 2 337.493 1.351 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](Cc3cnns3)C2)C1 ZINC001034491281 710110704 /nfs/dbraw/zinc/11/07/04/710110704.db2.gz ROASFIILGVIYHG-KGLIPLIRSA-N 2 2 337.493 1.351 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@H+](Cc3cnns3)C2)C1 ZINC001034491281 710110708 /nfs/dbraw/zinc/11/07/08/710110708.db2.gz ROASFIILGVIYHG-KGLIPLIRSA-N 2 2 337.493 1.351 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCCC[N@@H+](Cc3cnns3)C2)C1 ZINC001034491281 710110710 /nfs/dbraw/zinc/11/07/10/710110710.db2.gz ROASFIILGVIYHG-KGLIPLIRSA-N 2 2 337.493 1.351 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001034503233 710144137 /nfs/dbraw/zinc/14/41/37/710144137.db2.gz MCBWJVHCILKJFJ-CVEARBPZSA-N 2 2 334.464 1.800 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001034503233 710144141 /nfs/dbraw/zinc/14/41/41/710144141.db2.gz MCBWJVHCILKJFJ-CVEARBPZSA-N 2 2 334.464 1.800 20 0 EDADLP CCn1cc(CC[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034546477 710220537 /nfs/dbraw/zinc/22/05/37/710220537.db2.gz FBGADIDHWCHHBM-QGZVFWFLSA-N 2 2 344.463 1.313 20 0 EDADLP CCn1cc(CC[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034546477 710220539 /nfs/dbraw/zinc/22/05/39/710220539.db2.gz FBGADIDHWCHHBM-QGZVFWFLSA-N 2 2 344.463 1.313 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC001034547061 710221107 /nfs/dbraw/zinc/22/11/07/710221107.db2.gz NNRQYXXQRDQCML-MRXNPFEDSA-N 2 2 343.431 1.458 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC001034547061 710221109 /nfs/dbraw/zinc/22/11/09/710221109.db2.gz NNRQYXXQRDQCML-MRXNPFEDSA-N 2 2 343.431 1.458 20 0 EDADLP Cc1ncsc1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547505 710222092 /nfs/dbraw/zinc/22/20/92/710222092.db2.gz SJPUDVATCATRIM-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1ncsc1C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547505 710222093 /nfs/dbraw/zinc/22/20/93/710222093.db2.gz SJPUDVATCATRIM-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547526 710222145 /nfs/dbraw/zinc/22/21/45/710222145.db2.gz SZTXQNNZJDRZHO-HOTGVXAUSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547526 710222147 /nfs/dbraw/zinc/22/21/47/710222147.db2.gz SZTXQNNZJDRZHO-HOTGVXAUSA-N 2 2 342.447 1.713 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3nccs3)CC2)C1 ZINC001003628571 710458461 /nfs/dbraw/zinc/45/84/61/710458461.db2.gz RLKAZZCVAQEMPM-UHFFFAOYSA-N 2 2 336.505 1.956 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](Cc3nccs3)CC2)C1 ZINC001003628571 710458463 /nfs/dbraw/zinc/45/84/63/710458463.db2.gz RLKAZZCVAQEMPM-UHFFFAOYSA-N 2 2 336.505 1.956 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001003632734 710461430 /nfs/dbraw/zinc/46/14/30/710461430.db2.gz BXPVTQVTZACKKU-SUMWQHHRSA-N 2 2 346.475 1.830 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001003632734 710461431 /nfs/dbraw/zinc/46/14/31/710461431.db2.gz BXPVTQVTZACKKU-SUMWQHHRSA-N 2 2 346.475 1.830 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003635415 710462605 /nfs/dbraw/zinc/46/26/05/710462605.db2.gz PRXFRFOHNLXDCV-MAUKXSAKSA-N 2 2 347.507 1.742 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003635415 710462608 /nfs/dbraw/zinc/46/26/08/710462608.db2.gz PRXFRFOHNLXDCV-MAUKXSAKSA-N 2 2 347.507 1.742 20 0 EDADLP Cc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)nc(C2CC2)[nH+]1 ZINC001061328596 710604468 /nfs/dbraw/zinc/60/44/68/710604468.db2.gz USMTYPQHXXDCDN-JKSUJKDBSA-N 2 2 343.475 1.842 20 0 EDADLP Cc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)nc(C2CC2)[nH+]1 ZINC001061328596 710604471 /nfs/dbraw/zinc/60/44/71/710604471.db2.gz USMTYPQHXXDCDN-JKSUJKDBSA-N 2 2 343.475 1.842 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001005580474 710610940 /nfs/dbraw/zinc/61/09/40/710610940.db2.gz GQBWSBGPCKEMLO-AWEZNQCLSA-N 2 2 335.448 1.590 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)CC1 ZINC001003891894 710834425 /nfs/dbraw/zinc/83/44/25/710834425.db2.gz GOVZFGBKCKNNLW-UHFFFAOYSA-N 2 2 347.507 1.621 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001034744373 710959807 /nfs/dbraw/zinc/95/98/07/710959807.db2.gz SPKJACUGMLBGTQ-HDJSIYSDSA-N 2 2 330.436 1.386 20 0 EDADLP CC(C)c1ocnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959203 710983997 /nfs/dbraw/zinc/98/39/97/710983997.db2.gz FQSAFMZOTFNZSO-GDBMZVCRSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959203 710984000 /nfs/dbraw/zinc/98/40/00/710984000.db2.gz FQSAFMZOTFNZSO-GDBMZVCRSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032959203 710984006 /nfs/dbraw/zinc/98/40/06/710984006.db2.gz FQSAFMZOTFNZSO-GDBMZVCRSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032959203 710984010 /nfs/dbraw/zinc/98/40/10/710984010.db2.gz FQSAFMZOTFNZSO-GDBMZVCRSA-N 2 2 334.464 1.925 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)sn1 ZINC001034777072 711055296 /nfs/dbraw/zinc/05/52/96/711055296.db2.gz DXUWSEXBLFKOLV-HDJSIYSDSA-N 2 2 347.488 1.945 20 0 EDADLP C[C@H]1C[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC001034778769 711082822 /nfs/dbraw/zinc/08/28/22/711082822.db2.gz YTBCAZQWDDNPGL-YVSFHVDLSA-N 2 2 348.491 1.795 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001005715213 711114903 /nfs/dbraw/zinc/11/49/03/711114903.db2.gz YEPHAJBISIDYAJ-UHFFFAOYSA-N 2 2 345.422 1.849 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001034801660 711142095 /nfs/dbraw/zinc/14/20/95/711142095.db2.gz NMUXVIYTSUIEIM-KZNAEPCWSA-N 2 2 342.443 1.634 20 0 EDADLP CCc1nc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)cs1 ZINC001003983116 711181454 /nfs/dbraw/zinc/18/14/54/711181454.db2.gz HKOWIGRUVFNOGK-UHFFFAOYSA-N 2 2 348.516 1.882 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001034921269 711380424 /nfs/dbraw/zinc/38/04/24/711380424.db2.gz YNGGMYOCHTZCKT-HUUCEWRRSA-N 2 2 334.464 1.738 20 0 EDADLP COc1cccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC001004153199 711550482 /nfs/dbraw/zinc/55/04/82/711550482.db2.gz XPAZFAZELJGBRX-UHFFFAOYSA-N 2 2 343.431 1.376 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004146729 711557691 /nfs/dbraw/zinc/55/76/91/711557691.db2.gz ACBCTCJANDUQHM-JSGCOSHPSA-N 2 2 347.463 1.540 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004146729 711557692 /nfs/dbraw/zinc/55/76/92/711557692.db2.gz ACBCTCJANDUQHM-JSGCOSHPSA-N 2 2 347.463 1.540 20 0 EDADLP O=C(C[N@@H+]1CCc2sccc2C1)NC1CC[NH+](CCCO)CC1 ZINC001004188170 711642212 /nfs/dbraw/zinc/64/22/12/711642212.db2.gz DPWZVRNMJNVSBH-UHFFFAOYSA-N 2 2 337.489 1.069 20 0 EDADLP O=C(C[N@H+]1CCc2sccc2C1)NC1CC[NH+](CCCO)CC1 ZINC001004188170 711642215 /nfs/dbraw/zinc/64/22/15/711642215.db2.gz DPWZVRNMJNVSBH-UHFFFAOYSA-N 2 2 337.489 1.069 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033152235 712144520 /nfs/dbraw/zinc/14/45/20/712144520.db2.gz NTJJBEQGZBBSSJ-CVEARBPZSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033152235 712144522 /nfs/dbraw/zinc/14/45/22/712144522.db2.gz NTJJBEQGZBBSSJ-CVEARBPZSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033152235 712144524 /nfs/dbraw/zinc/14/45/24/712144524.db2.gz NTJJBEQGZBBSSJ-CVEARBPZSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033152235 712144525 /nfs/dbraw/zinc/14/45/25/712144525.db2.gz NTJJBEQGZBBSSJ-CVEARBPZSA-N 2 2 348.495 1.111 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000356899884 282250275 /nfs/dbraw/zinc/25/02/75/282250275.db2.gz LBWINMGYGXRXAR-ZMSDIMECSA-N 2 2 325.497 1.674 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000356899884 282250278 /nfs/dbraw/zinc/25/02/78/282250278.db2.gz LBWINMGYGXRXAR-ZMSDIMECSA-N 2 2 325.497 1.674 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000560156382 306262012 /nfs/dbraw/zinc/26/20/12/306262012.db2.gz YCNGKEFFWDIGIA-INIZCTEOSA-N 2 2 342.447 1.811 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000560156382 306262013 /nfs/dbraw/zinc/26/20/13/306262013.db2.gz YCNGKEFFWDIGIA-INIZCTEOSA-N 2 2 342.447 1.811 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000139017347 299121576 /nfs/dbraw/zinc/12/15/76/299121576.db2.gz WRHGMAGOVNBZTH-MWDXBVQZSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000139017347 299121581 /nfs/dbraw/zinc/12/15/81/299121581.db2.gz WRHGMAGOVNBZTH-MWDXBVQZSA-N 2 2 338.496 1.221 20 0 EDADLP COC[C@@H]1C[NH+]([C@@H](C)CC[N@@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298223 539589503 /nfs/dbraw/zinc/58/95/03/539589503.db2.gz VEUTZTJYOBBWTI-ADHGMGHFSA-N 2 2 344.496 1.236 20 0 EDADLP COC[C@@H]1C[NH+]([C@@H](C)CC[N@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298223 539589507 /nfs/dbraw/zinc/58/95/07/539589507.db2.gz VEUTZTJYOBBWTI-ADHGMGHFSA-N 2 2 344.496 1.236 20 0 EDADLP COC[C@@H]1C[NH+](CC[C@H](C)[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000439298223 539589513 /nfs/dbraw/zinc/58/95/13/539589513.db2.gz VEUTZTJYOBBWTI-ADHGMGHFSA-N 2 2 344.496 1.236 20 0 EDADLP COC[C@@H]1C[NH+](CC[C@H](C)[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000439298223 539589518 /nfs/dbraw/zinc/58/95/18/539589518.db2.gz VEUTZTJYOBBWTI-ADHGMGHFSA-N 2 2 344.496 1.236 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000561146320 306282636 /nfs/dbraw/zinc/28/26/36/306282636.db2.gz ABNFKAFPMGLWAW-BBRMVZONSA-N 2 2 345.422 1.947 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)C1 ZINC000561147290 306282748 /nfs/dbraw/zinc/28/27/48/306282748.db2.gz RDNOFULQTGYEDL-HOTGVXAUSA-N 2 2 327.432 1.903 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000561207493 306284715 /nfs/dbraw/zinc/28/47/15/306284715.db2.gz HCYOIUUVDDGHFR-GOEBONIOSA-N 2 2 331.464 1.846 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000562794839 306309345 /nfs/dbraw/zinc/30/93/45/306309345.db2.gz SLAXUXYPBWWXRK-KBAYOESNSA-N 2 2 346.475 1.357 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]CC2Cc3ccccc3C2)C1=O ZINC000562807865 306309901 /nfs/dbraw/zinc/30/99/01/306309901.db2.gz WIAMOXWXNDWORX-GOSISDBHSA-N 2 2 338.455 1.916 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984354 306314880 /nfs/dbraw/zinc/31/48/80/306314880.db2.gz JNTSHGCGAHURRO-ICSRJNTNSA-N 3 2 331.504 1.596 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984354 306314881 /nfs/dbraw/zinc/31/48/81/306314881.db2.gz JNTSHGCGAHURRO-ICSRJNTNSA-N 3 2 331.504 1.596 20 0 EDADLP C[NH+](C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984354 306314882 /nfs/dbraw/zinc/31/48/82/306314882.db2.gz JNTSHGCGAHURRO-ICSRJNTNSA-N 3 2 331.504 1.596 20 0 EDADLP C[NH+](C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984354 306314883 /nfs/dbraw/zinc/31/48/83/306314883.db2.gz JNTSHGCGAHURRO-ICSRJNTNSA-N 3 2 331.504 1.596 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2nn(C)c3ccccc23)C[C@H](C)O1 ZINC000563014510 306316032 /nfs/dbraw/zinc/31/60/32/306316032.db2.gz XJJJHQSRYITUKS-OWCLPIDISA-N 2 2 346.475 1.176 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2nn(C)c3ccccc23)C[C@H](C)O1 ZINC000563014510 306316033 /nfs/dbraw/zinc/31/60/33/306316033.db2.gz XJJJHQSRYITUKS-OWCLPIDISA-N 2 2 346.475 1.176 20 0 EDADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(F)c1 ZINC000563252863 306324853 /nfs/dbraw/zinc/32/48/53/306324853.db2.gz YFWSADSXRFLWKQ-QGZVFWFLSA-N 2 2 337.439 1.867 20 0 EDADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(F)c1 ZINC000563252863 306324854 /nfs/dbraw/zinc/32/48/54/306324854.db2.gz YFWSADSXRFLWKQ-QGZVFWFLSA-N 2 2 337.439 1.867 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cnn(CC3CC3)c2)CC1 ZINC000175444627 540097650 /nfs/dbraw/zinc/09/76/50/540097650.db2.gz ZEDDNAGXTNKKSQ-UHFFFAOYSA-N 2 2 334.468 1.441 20 0 EDADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000189097309 540163017 /nfs/dbraw/zinc/16/30/17/540163017.db2.gz BOEUWURRTSZTTQ-INIZCTEOSA-N 2 2 341.459 1.669 20 0 EDADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000189097309 540163021 /nfs/dbraw/zinc/16/30/21/540163021.db2.gz BOEUWURRTSZTTQ-INIZCTEOSA-N 2 2 341.459 1.669 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563353154 306329442 /nfs/dbraw/zinc/32/94/42/306329442.db2.gz MLDWLKGODCKXRD-HUUCEWRRSA-N 2 2 348.447 1.154 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563353154 306329443 /nfs/dbraw/zinc/32/94/43/306329443.db2.gz MLDWLKGODCKXRD-HUUCEWRRSA-N 2 2 348.447 1.154 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413037241 304051704 /nfs/dbraw/zinc/05/17/04/304051704.db2.gz FLVYHLZSXXLRPU-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[NH2+]C(C)C)CC1 ZINC000563451670 306334278 /nfs/dbraw/zinc/33/42/78/306334278.db2.gz ORWRRZBVARWTFV-UHFFFAOYSA-N 2 2 332.448 1.287 20 0 EDADLP C[C@H](CCO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074357649 138232000 /nfs/dbraw/zinc/23/20/00/138232000.db2.gz FZXFFXJDTUCQLK-OAHLLOKOSA-N 2 2 326.485 1.007 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000086250065 138270944 /nfs/dbraw/zinc/27/09/44/138270944.db2.gz IXRUHRDTGXHKQY-GUYCJALGSA-N 2 2 328.416 1.689 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000086250065 138270945 /nfs/dbraw/zinc/27/09/45/138270945.db2.gz IXRUHRDTGXHKQY-GUYCJALGSA-N 2 2 328.416 1.689 20 0 EDADLP CC[NH+]1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000080054042 138263348 /nfs/dbraw/zinc/26/33/48/138263348.db2.gz UWKDOSYERYTGAE-UHFFFAOYSA-N 2 2 346.475 1.366 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000098144179 138297953 /nfs/dbraw/zinc/29/79/53/138297953.db2.gz SBVKENMDLPJQNK-KNCOVGOOSA-N 2 2 336.432 1.536 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000098144179 138297954 /nfs/dbraw/zinc/29/79/54/138297954.db2.gz SBVKENMDLPJQNK-KNCOVGOOSA-N 2 2 336.432 1.536 20 0 EDADLP CCC(CC)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000093562131 138293859 /nfs/dbraw/zinc/29/38/59/138293859.db2.gz UDXPLYZPQYYJGP-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP C[NH+]1CCN(C(=O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000120455163 138315644 /nfs/dbraw/zinc/31/56/44/138315644.db2.gz NRCKXGPFDVBSEL-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP C[NH+]1CCN(C(=O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000120455163 138315645 /nfs/dbraw/zinc/31/56/45/138315645.db2.gz NRCKXGPFDVBSEL-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000120455163 138315646 /nfs/dbraw/zinc/31/56/46/138315646.db2.gz NRCKXGPFDVBSEL-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000120455163 138315647 /nfs/dbraw/zinc/31/56/47/138315647.db2.gz NRCKXGPFDVBSEL-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000120966613 138316683 /nfs/dbraw/zinc/31/66/83/138316683.db2.gz HQOUJAJUJDZURH-OAHLLOKOSA-N 2 2 331.416 1.326 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000120966613 138316684 /nfs/dbraw/zinc/31/66/84/138316684.db2.gz HQOUJAJUJDZURH-OAHLLOKOSA-N 2 2 331.416 1.326 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000125629198 138335162 /nfs/dbraw/zinc/33/51/62/138335162.db2.gz APRWZYODGMTMSC-INIZCTEOSA-N 2 2 343.475 1.976 20 0 EDADLP Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131318139 138356993 /nfs/dbraw/zinc/35/69/93/138356993.db2.gz AIMPVBMOUOGFFB-AWEZNQCLSA-N 2 2 330.436 1.653 20 0 EDADLP Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131318139 138356994 /nfs/dbraw/zinc/35/69/94/138356994.db2.gz AIMPVBMOUOGFFB-AWEZNQCLSA-N 2 2 330.436 1.653 20 0 EDADLP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000187287337 236168547 /nfs/dbraw/zinc/16/85/47/236168547.db2.gz PWEVGNKHLCGPHS-LJQANCHMSA-N 2 2 345.487 1.865 20 0 EDADLP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000187287337 236168550 /nfs/dbraw/zinc/16/85/50/236168550.db2.gz PWEVGNKHLCGPHS-LJQANCHMSA-N 2 2 345.487 1.865 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000447851035 305287179 /nfs/dbraw/zinc/28/71/79/305287179.db2.gz XYRVUROOSQPCAY-MRXNPFEDSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000447851035 305287180 /nfs/dbraw/zinc/28/71/80/305287180.db2.gz XYRVUROOSQPCAY-MRXNPFEDSA-N 2 2 325.497 1.722 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000564727025 306364066 /nfs/dbraw/zinc/36/40/66/306364066.db2.gz UUJLQWSWJCLVQG-JZXOWHBKSA-N 2 2 348.491 1.793 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1C[NH2+]C1 ZINC000564936413 306370400 /nfs/dbraw/zinc/37/04/00/306370400.db2.gz FEFSPUPTDOBGEC-GOEBONIOSA-N 2 2 344.459 1.517 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCN2CCNC(=O)C2)C1 ZINC000565215555 306378909 /nfs/dbraw/zinc/37/89/09/306378909.db2.gz BGBNKVHCVUSJAI-AEFFLSMTSA-N 2 2 330.476 1.233 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCN2CCNC(=O)C2)C1 ZINC000565215555 306378910 /nfs/dbraw/zinc/37/89/10/306378910.db2.gz BGBNKVHCVUSJAI-AEFFLSMTSA-N 2 2 330.476 1.233 20 0 EDADLP COc1c(C)c[nH+]c(CN2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1C ZINC000359869082 201113597 /nfs/dbraw/zinc/11/35/97/201113597.db2.gz LTVMLHQPSYCBEU-UHFFFAOYSA-N 2 2 346.475 1.623 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000565587756 306387311 /nfs/dbraw/zinc/38/73/11/306387311.db2.gz KPAGXDNDOMGDSA-FUHWJXTLSA-N 2 2 339.443 1.682 20 0 EDADLP CCc1ncc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000414327969 304106768 /nfs/dbraw/zinc/10/67/68/304106768.db2.gz ZGSSIOYDKVLLPM-UHFFFAOYSA-N 3 2 340.475 1.736 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000565707964 306389236 /nfs/dbraw/zinc/38/92/36/306389236.db2.gz IRXBIIBAPUGVSX-YCPHGPKFSA-N 2 2 333.432 1.065 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000565707964 306389237 /nfs/dbraw/zinc/38/92/37/306389237.db2.gz IRXBIIBAPUGVSX-YCPHGPKFSA-N 2 2 333.432 1.065 20 0 EDADLP C[C@@H](NC(=O)N1CCCC12CC[NH+](C)CC2)[C@@H](C)[NH+]1CCOCC1 ZINC000361152282 296059961 /nfs/dbraw/zinc/05/99/61/296059961.db2.gz BMOQUSPXDCBGAG-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CC[NH2+]CC[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000414828520 304145460 /nfs/dbraw/zinc/14/54/60/304145460.db2.gz KOKKEGWXNNCODN-UHFFFAOYSA-N 2 2 335.448 1.396 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000132330389 296135998 /nfs/dbraw/zinc/13/59/98/296135998.db2.gz WUBTZBUQCKQNBV-JKSUJKDBSA-N 2 2 332.448 1.159 20 0 EDADLP C[C@@H](O)CC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000075777366 203323428 /nfs/dbraw/zinc/32/34/28/203323428.db2.gz BYHQAAVJDHMCFB-OAHLLOKOSA-N 2 2 335.448 1.160 20 0 EDADLP C[C@@H](O)CC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000075777366 203323432 /nfs/dbraw/zinc/32/34/32/203323432.db2.gz BYHQAAVJDHMCFB-OAHLLOKOSA-N 2 2 335.448 1.160 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2c[nH+]ccc2OC)C1 ZINC000076645397 203360754 /nfs/dbraw/zinc/36/07/54/203360754.db2.gz VODZXWPRLMKBKY-CYBMUJFWSA-N 2 2 334.420 1.219 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000077745556 203399881 /nfs/dbraw/zinc/39/98/81/203399881.db2.gz DGEACWISXADHHG-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000077745556 203399883 /nfs/dbraw/zinc/39/98/83/203399883.db2.gz DGEACWISXADHHG-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP FC(F)Oc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCCO1)OCO2 ZINC000415049828 304154655 /nfs/dbraw/zinc/15/46/55/304154655.db2.gz YEWXSOSCUZFCGG-LLVKDONJSA-N 2 2 330.331 1.485 20 0 EDADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415065505 304156144 /nfs/dbraw/zinc/15/61/44/304156144.db2.gz GKLLCAHMBYRVCT-HNNXBMFYSA-N 2 2 336.867 1.953 20 0 EDADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415065505 304156147 /nfs/dbraw/zinc/15/61/47/304156147.db2.gz GKLLCAHMBYRVCT-HNNXBMFYSA-N 2 2 336.867 1.953 20 0 EDADLP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000102810022 204050535 /nfs/dbraw/zinc/05/05/35/204050535.db2.gz HQLCJHPLMKPYSN-UHFFFAOYSA-N 2 2 343.431 1.132 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1cccnc1 ZINC000105106852 204134793 /nfs/dbraw/zinc/13/47/93/204134793.db2.gz LRGZCECABVCXKH-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1cccnc1 ZINC000105106852 204134796 /nfs/dbraw/zinc/13/47/96/204134796.db2.gz LRGZCECABVCXKH-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1nccs1 ZINC000105211006 204138012 /nfs/dbraw/zinc/13/80/12/204138012.db2.gz WCOLAHFCSZRFJD-UHFFFAOYSA-N 2 2 339.509 1.353 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1nccs1 ZINC000105211006 204138015 /nfs/dbraw/zinc/13/80/15/204138015.db2.gz WCOLAHFCSZRFJD-UHFFFAOYSA-N 2 2 339.509 1.353 20 0 EDADLP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@@H](C)Cn3cc[nH+]c3)c2cc1C ZINC000567227502 306442912 /nfs/dbraw/zinc/44/29/12/306442912.db2.gz IYCBQDWJCHYDIJ-HOTGVXAUSA-N 2 2 327.432 1.889 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)cc3C(=O)OC)C2)CC1 ZINC000107371394 204235439 /nfs/dbraw/zinc/23/54/39/204235439.db2.gz ALCMLBCGQNLHRP-QGZVFWFLSA-N 2 2 349.450 1.824 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)cc3C(=O)OC)C2)CC1 ZINC000107371394 204235441 /nfs/dbraw/zinc/23/54/41/204235441.db2.gz ALCMLBCGQNLHRP-QGZVFWFLSA-N 2 2 349.450 1.824 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000109753700 204292515 /nfs/dbraw/zinc/29/25/15/204292515.db2.gz HKFXVIABVLIUDY-SFHVURJKSA-N 2 2 330.476 1.387 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000109753700 204292518 /nfs/dbraw/zinc/29/25/18/204292518.db2.gz HKFXVIABVLIUDY-SFHVURJKSA-N 2 2 330.476 1.387 20 0 EDADLP CCC[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000236793541 139031624 /nfs/dbraw/zinc/03/16/24/139031624.db2.gz OJTVGFGBHAEFFV-HXUWFJFHSA-N 3 2 331.504 1.870 20 0 EDADLP CCC[NH+]1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000236793541 139031625 /nfs/dbraw/zinc/03/16/25/139031625.db2.gz OJTVGFGBHAEFFV-HXUWFJFHSA-N 3 2 331.504 1.870 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000236799119 139031722 /nfs/dbraw/zinc/03/17/22/139031722.db2.gz GRIIURDGEBYEJV-KRWDZBQOSA-N 2 2 334.464 1.235 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000237067609 139039730 /nfs/dbraw/zinc/03/97/30/139039730.db2.gz NRPXLXIGKVDENJ-SCLBCKFNSA-N 2 2 349.475 1.552 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000237067609 139039731 /nfs/dbraw/zinc/03/97/31/139039731.db2.gz NRPXLXIGKVDENJ-SCLBCKFNSA-N 2 2 349.475 1.552 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H]([NH3+])CC(C)C)CC2 ZINC000237289693 139046680 /nfs/dbraw/zinc/04/66/80/139046680.db2.gz YJRVDURVGLWIGM-INIZCTEOSA-N 2 2 349.475 1.552 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(C)C)CC2 ZINC000237289693 139046681 /nfs/dbraw/zinc/04/66/81/139046681.db2.gz YJRVDURVGLWIGM-INIZCTEOSA-N 2 2 349.475 1.552 20 0 EDADLP CN(c1ccccc1C[N@@H+]1CCN(C)C(=O)C1)C1CC[NH+](C)CC1 ZINC000127370069 205097536 /nfs/dbraw/zinc/09/75/36/205097536.db2.gz VGMODEKBIDDJLX-UHFFFAOYSA-N 2 2 330.476 1.491 20 0 EDADLP CN(c1ccccc1C[N@H+]1CCN(C)C(=O)C1)C1CC[NH+](C)CC1 ZINC000127370069 205097543 /nfs/dbraw/zinc/09/75/43/205097543.db2.gz VGMODEKBIDDJLX-UHFFFAOYSA-N 2 2 330.476 1.491 20 0 EDADLP COC(=O)c1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000129630284 205204801 /nfs/dbraw/zinc/20/48/01/205204801.db2.gz HPUYQNSULIMFCO-MRXNPFEDSA-N 2 2 348.443 1.506 20 0 EDADLP COC(=O)c1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000129630284 205204804 /nfs/dbraw/zinc/20/48/04/205204804.db2.gz HPUYQNSULIMFCO-MRXNPFEDSA-N 2 2 348.443 1.506 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000132150774 205314153 /nfs/dbraw/zinc/31/41/53/205314153.db2.gz DKKOXKAYGCTYPJ-CVEARBPZSA-N 2 2 348.516 1.724 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)[NH+]1CCSCC1 ZINC000132626071 205334391 /nfs/dbraw/zinc/33/43/91/205334391.db2.gz NOXVHRYGZJICJN-HNNXBMFYSA-N 2 2 349.500 1.474 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C2CC[NH2+]CC2)[NH+]2CCOCC2)c1 ZINC000237791869 139060447 /nfs/dbraw/zinc/06/04/47/139060447.db2.gz ZWODWUJLOIXXJT-SFHVURJKSA-N 2 2 331.460 1.484 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237969364 139065335 /nfs/dbraw/zinc/06/53/35/139065335.db2.gz IVMLWMFECIUSBZ-KRWDZBQOSA-N 2 2 329.444 1.847 20 0 EDADLP [NH3+][C@@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000237928951 139064070 /nfs/dbraw/zinc/06/40/70/139064070.db2.gz KEORAPDDRFMMRJ-CQSZACIVSA-N 2 2 327.388 1.085 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000238056546 139067884 /nfs/dbraw/zinc/06/78/84/139067884.db2.gz REJDUYMMKXAVOY-SJORKVTESA-N 2 2 349.500 1.099 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000238056546 139067885 /nfs/dbraw/zinc/06/78/85/139067885.db2.gz REJDUYMMKXAVOY-SJORKVTESA-N 2 2 349.500 1.099 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000567639436 306457533 /nfs/dbraw/zinc/45/75/33/306457533.db2.gz PCCIMPRBEQZNPV-ZOBUZTSGSA-N 2 2 337.489 1.570 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000245538072 139078443 /nfs/dbraw/zinc/07/84/43/139078443.db2.gz JBMZKJNNBXJDSS-NVXWUHKLSA-N 2 2 344.459 1.420 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000245538072 139078444 /nfs/dbraw/zinc/07/84/44/139078444.db2.gz JBMZKJNNBXJDSS-NVXWUHKLSA-N 2 2 344.459 1.420 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245585285 139080148 /nfs/dbraw/zinc/08/01/48/139080148.db2.gz JPQFZEYOVWWTPN-IAGOWNOFSA-N 2 2 336.480 1.945 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245585285 139080149 /nfs/dbraw/zinc/08/01/49/139080149.db2.gz JPQFZEYOVWWTPN-IAGOWNOFSA-N 2 2 336.480 1.945 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245881398 139088373 /nfs/dbraw/zinc/08/83/73/139088373.db2.gz BCDOKBHCVWWWLT-HRCADAONSA-N 2 2 325.497 1.865 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245881398 139088374 /nfs/dbraw/zinc/08/83/74/139088374.db2.gz BCDOKBHCVWWWLT-HRCADAONSA-N 2 2 325.497 1.865 20 0 EDADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246152495 139096820 /nfs/dbraw/zinc/09/68/20/139096820.db2.gz VTZXFROTDQRVNA-OALUTQOASA-N 2 2 342.487 1.015 20 0 EDADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000246152495 139096821 /nfs/dbraw/zinc/09/68/21/139096821.db2.gz VTZXFROTDQRVNA-OALUTQOASA-N 2 2 342.487 1.015 20 0 EDADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246715593 139118395 /nfs/dbraw/zinc/11/83/95/139118395.db2.gz LJGNZPUDIFNYKE-SAGYGOJTSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246715593 139118396 /nfs/dbraw/zinc/11/83/96/139118396.db2.gz LJGNZPUDIFNYKE-SAGYGOJTSA-N 2 2 337.508 1.724 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000247937493 139155999 /nfs/dbraw/zinc/15/59/99/139155999.db2.gz CQBFPVXUIADIIW-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000247937493 139156000 /nfs/dbraw/zinc/15/60/00/139156000.db2.gz CQBFPVXUIADIIW-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000247937493 139156001 /nfs/dbraw/zinc/15/60/01/139156001.db2.gz CQBFPVXUIADIIW-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000247937493 139156002 /nfs/dbraw/zinc/15/60/02/139156002.db2.gz CQBFPVXUIADIIW-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000247974995 139156502 /nfs/dbraw/zinc/15/65/02/139156502.db2.gz KRHDQABSESSPMF-UKRRQHHQSA-N 2 2 325.478 1.730 20 0 EDADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000247974995 139156503 /nfs/dbraw/zinc/15/65/03/139156503.db2.gz KRHDQABSESSPMF-UKRRQHHQSA-N 2 2 325.478 1.730 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000248044525 139157439 /nfs/dbraw/zinc/15/74/39/139157439.db2.gz UNKKVJRVHGVPPC-DOTOQJQBSA-N 2 2 342.443 1.905 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000248044525 139157440 /nfs/dbraw/zinc/15/74/40/139157440.db2.gz UNKKVJRVHGVPPC-DOTOQJQBSA-N 2 2 342.443 1.905 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000248414405 139162740 /nfs/dbraw/zinc/16/27/40/139162740.db2.gz GYCDEAPJRMGNBB-ROUUACIJSA-N 2 2 332.492 1.951 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000248414405 139162741 /nfs/dbraw/zinc/16/27/41/139162741.db2.gz GYCDEAPJRMGNBB-ROUUACIJSA-N 2 2 332.492 1.951 20 0 EDADLP CCCN(C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[NH2+]C1 ZINC000415406817 304215364 /nfs/dbraw/zinc/21/53/64/304215364.db2.gz PQLVGPCUDNPINO-MRXNPFEDSA-N 2 2 341.415 1.411 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000410810719 250379279 /nfs/dbraw/zinc/37/92/79/250379279.db2.gz POJDVFWLYGLDBD-JKSUJKDBSA-N 2 2 349.479 1.093 20 0 EDADLP C[C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249923073 139199838 /nfs/dbraw/zinc/19/98/38/139199838.db2.gz ZEOVFFSMCGCTOV-BZUAXINKSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)cc12 ZINC000261382802 139208347 /nfs/dbraw/zinc/20/83/47/139208347.db2.gz IKAKPNIBIUUYRQ-AWEZNQCLSA-N 2 2 343.475 1.962 20 0 EDADLP c1ccc(Cc2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000261629576 139212622 /nfs/dbraw/zinc/21/26/22/139212622.db2.gz HCRJSWJHHCNVRT-INIZCTEOSA-N 2 2 327.432 1.140 20 0 EDADLP c1ccc(Cc2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000261629576 139212623 /nfs/dbraw/zinc/21/26/23/139212623.db2.gz HCRJSWJHHCNVRT-INIZCTEOSA-N 2 2 327.432 1.140 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cc1F ZINC000261654535 139214766 /nfs/dbraw/zinc/21/47/66/139214766.db2.gz DUIJMEUXGKTIJV-HZPDHXFCSA-N 2 2 349.450 1.854 20 0 EDADLP C[C@@H]([NH3+])CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000261749558 139222899 /nfs/dbraw/zinc/22/28/99/139222899.db2.gz HEKWOGRFUNFNHZ-CYBMUJFWSA-N 2 2 349.866 1.759 20 0 EDADLP C[C@@H]([NH3+])CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000261749558 139222900 /nfs/dbraw/zinc/22/29/00/139222900.db2.gz HEKWOGRFUNFNHZ-CYBMUJFWSA-N 2 2 349.866 1.759 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261790859 139226347 /nfs/dbraw/zinc/22/63/47/139226347.db2.gz NPPMXUOAUOAUBV-LIRRHRJNSA-N 2 2 349.475 1.942 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261790859 139226348 /nfs/dbraw/zinc/22/63/48/139226348.db2.gz NPPMXUOAUOAUBV-LIRRHRJNSA-N 2 2 349.475 1.942 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261797203 139226899 /nfs/dbraw/zinc/22/68/99/139226899.db2.gz IQGDPVVLDWPMLO-UMVBOHGHSA-N 2 2 347.463 1.588 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261797203 139226900 /nfs/dbraw/zinc/22/69/00/139226900.db2.gz IQGDPVVLDWPMLO-UMVBOHGHSA-N 2 2 347.463 1.588 20 0 EDADLP CC(C)c1cccc(NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261773888 139224791 /nfs/dbraw/zinc/22/47/91/139224791.db2.gz XEZVEPVXCNNSEE-SFHVURJKSA-N 2 2 330.476 1.728 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261836064 139230267 /nfs/dbraw/zinc/23/02/67/139230267.db2.gz QIBNHIDTZUHVGU-IBGZPJMESA-N 2 2 333.476 1.976 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261836064 139230268 /nfs/dbraw/zinc/23/02/68/139230268.db2.gz QIBNHIDTZUHVGU-IBGZPJMESA-N 2 2 333.476 1.976 20 0 EDADLP C[C@@]1(C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC[NH2+]C1 ZINC000261902839 139235468 /nfs/dbraw/zinc/23/54/68/139235468.db2.gz WLYNCNMAQVWMCZ-AZUAARDMSA-N 2 2 342.487 1.409 20 0 EDADLP C[C@@]1(CN2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)CC[NH2+]C1 ZINC000261902839 139235469 /nfs/dbraw/zinc/23/54/69/139235469.db2.gz WLYNCNMAQVWMCZ-AZUAARDMSA-N 2 2 342.487 1.409 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000262033604 139245476 /nfs/dbraw/zinc/24/54/76/139245476.db2.gz ZGDKVOOEBOWTOK-OAHLLOKOSA-N 2 2 325.478 1.640 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000262033604 139245477 /nfs/dbraw/zinc/24/54/77/139245477.db2.gz ZGDKVOOEBOWTOK-OAHLLOKOSA-N 2 2 325.478 1.640 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])COC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262078822 139249184 /nfs/dbraw/zinc/24/91/84/139249184.db2.gz QFTIPZVANKVXMT-SOUVJXGZSA-N 2 2 343.830 1.704 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])COC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262078822 139249185 /nfs/dbraw/zinc/24/91/85/139249185.db2.gz QFTIPZVANKVXMT-SOUVJXGZSA-N 2 2 343.830 1.704 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)nc1 ZINC000262085295 139249688 /nfs/dbraw/zinc/24/96/88/139249688.db2.gz UGFPCDHCRATZLO-GOSISDBHSA-N 2 2 332.448 1.380 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262102019 139251064 /nfs/dbraw/zinc/25/10/64/139251064.db2.gz VRWJGILIZBBXOE-IBGZPJMESA-N 2 2 333.476 1.821 20 0 EDADLP COc1ccc(OC)c(CN2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262102019 139251065 /nfs/dbraw/zinc/25/10/65/139251065.db2.gz VRWJGILIZBBXOE-IBGZPJMESA-N 2 2 333.476 1.821 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1 ZINC000415983158 251041744 /nfs/dbraw/zinc/04/17/44/251041744.db2.gz MWBYOGNOXYKKCC-PBHICJAKSA-N 2 2 332.448 1.733 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000262279666 139266185 /nfs/dbraw/zinc/26/61/85/139266185.db2.gz KOWOEEHYHYVIIA-DLBZAZTESA-N 3 2 336.524 1.570 20 0 EDADLP [NH3+]C[C@H]1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000416993930 251121516 /nfs/dbraw/zinc/12/15/16/251121516.db2.gz SZKHSEXZEBHDON-OAHLLOKOSA-N 2 2 331.464 1.952 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416992667 251121523 /nfs/dbraw/zinc/12/15/23/251121523.db2.gz LTIYWJTZOPMDPY-DLBZAZTESA-N 2 2 327.432 1.858 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416996871 251122685 /nfs/dbraw/zinc/12/26/85/251122685.db2.gz QPGYXRIFORKEGH-UHFFFAOYSA-N 2 2 327.432 1.873 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416997669 251122972 /nfs/dbraw/zinc/12/29/72/251122972.db2.gz YBXYUTIPSPMONT-YDHLFZDLSA-N 2 2 335.452 1.232 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000416998837 251125566 /nfs/dbraw/zinc/12/55/66/251125566.db2.gz ZABPDIRJOPFUMV-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC(C)(C)C[NH3+])nc[nH+]1 ZINC000417783100 251267624 /nfs/dbraw/zinc/26/76/24/251267624.db2.gz YSWHISBQTMJXMN-ZDUSSCGKSA-N 2 2 349.483 1.113 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)N(C)CC(C)(C)C[NH3+])[nH+]cn1 ZINC000417783100 251267629 /nfs/dbraw/zinc/26/76/29/251267629.db2.gz YSWHISBQTMJXMN-ZDUSSCGKSA-N 2 2 349.483 1.113 20 0 EDADLP O=C(NCCN1CC[NH2+]CC1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000262520540 139284011 /nfs/dbraw/zinc/28/40/11/139284011.db2.gz YQCLMAUBNCCVDK-UHFFFAOYSA-N 2 2 326.400 1.509 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000176585959 207240802 /nfs/dbraw/zinc/24/08/02/207240802.db2.gz OPFYKGXAJZJZMV-ZWKOTPCHSA-N 2 2 345.491 1.782 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418701150 251388627 /nfs/dbraw/zinc/38/86/27/251388627.db2.gz CQNNCEZLCKLUKV-TZMCWYRMSA-N 2 2 341.406 1.452 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000262798037 139304371 /nfs/dbraw/zinc/30/43/71/139304371.db2.gz DUPBHWSVSZDBLE-CJNGLKHVSA-N 2 2 339.867 1.909 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000423073812 252035221 /nfs/dbraw/zinc/03/52/21/252035221.db2.gz JWYYBXCUTLJETL-AAEUAGOBSA-N 2 2 346.880 1.600 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)CC2)cc[nH+]1 ZINC000423783628 252071832 /nfs/dbraw/zinc/07/18/32/252071832.db2.gz OBNOPJVQNPLRDE-KSSFIOAISA-N 2 2 339.443 1.770 20 0 EDADLP [NH3+][C@H](C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CCC1 ZINC000423354251 252051027 /nfs/dbraw/zinc/05/10/27/252051027.db2.gz MYPGLKMWTZBYFI-ZDUSSCGKSA-N 2 2 337.221 1.840 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000423510790 252056643 /nfs/dbraw/zinc/05/66/43/252056643.db2.gz OAZUEAVTHVEEBI-KRWDZBQOSA-N 2 2 333.432 1.464 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000423510790 252056646 /nfs/dbraw/zinc/05/66/46/252056646.db2.gz OAZUEAVTHVEEBI-KRWDZBQOSA-N 2 2 333.432 1.464 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000423899210 252103949 /nfs/dbraw/zinc/10/39/49/252103949.db2.gz QLIGWHCJRUXESC-GJZGRUSLSA-N 2 2 326.444 1.994 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000423790586 252075039 /nfs/dbraw/zinc/07/50/39/252075039.db2.gz UHKDWWMRFOBGBS-FZKCQIBNSA-N 2 2 337.464 1.003 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000423797030 252078763 /nfs/dbraw/zinc/07/87/63/252078763.db2.gz HWCAQIDCMHTODY-INIZCTEOSA-N 2 2 340.427 1.908 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000423797033 252079496 /nfs/dbraw/zinc/07/94/96/252079496.db2.gz HWCAQIDCMHTODY-MRXNPFEDSA-N 2 2 340.427 1.908 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000424473793 252244464 /nfs/dbraw/zinc/24/44/64/252244464.db2.gz WSISBUHUOREHFH-LBPRGKRZSA-N 2 2 327.379 1.474 20 0 EDADLP Brc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc1 ZINC000261588101 532963370 /nfs/dbraw/zinc/96/33/70/532963370.db2.gz JVSBFAYVSIZVAF-CQSZACIVSA-N 2 2 325.254 1.324 20 0 EDADLP Brc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc1 ZINC000261588101 532963373 /nfs/dbraw/zinc/96/33/73/532963373.db2.gz JVSBFAYVSIZVAF-CQSZACIVSA-N 2 2 325.254 1.324 20 0 EDADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000263249320 139330864 /nfs/dbraw/zinc/33/08/64/139330864.db2.gz PQERXTJNYHALDQ-CRAIPNDOSA-N 2 2 332.448 1.442 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cn2cc[nH+]c12 ZINC000570288167 306535948 /nfs/dbraw/zinc/53/59/48/306535948.db2.gz JUPUIECDZUXXFX-UHFFFAOYSA-N 2 2 331.420 1.563 20 0 EDADLP C[NH+](C)CCOCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000471644288 255015514 /nfs/dbraw/zinc/01/55/14/255015514.db2.gz UYMOUBYSXGQTBC-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](CO)[C@H]3C)CC2)c1 ZINC000488713819 255050161 /nfs/dbraw/zinc/05/01/61/255050161.db2.gz CZSDXTBYHXORDQ-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](CO)[C@H]3C)CC2)c1 ZINC000488713819 255050163 /nfs/dbraw/zinc/05/01/63/255050163.db2.gz CZSDXTBYHXORDQ-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000494178576 255241471 /nfs/dbraw/zinc/24/14/71/255241471.db2.gz GGXYXLIMZBCIRQ-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000494178576 255241472 /nfs/dbraw/zinc/24/14/72/255241472.db2.gz GGXYXLIMZBCIRQ-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)CCO1 ZINC000494711537 255259212 /nfs/dbraw/zinc/25/92/12/255259212.db2.gz QHLOGHFZSFWKOQ-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)CCO1 ZINC000494711537 255259213 /nfs/dbraw/zinc/25/92/13/255259213.db2.gz QHLOGHFZSFWKOQ-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000494711537 255259214 /nfs/dbraw/zinc/25/92/14/255259214.db2.gz QHLOGHFZSFWKOQ-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000494711537 255259215 /nfs/dbraw/zinc/25/92/15/255259215.db2.gz QHLOGHFZSFWKOQ-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000496041234 255345539 /nfs/dbraw/zinc/34/55/39/255345539.db2.gz FJIXCEUAODBEQY-XNJGSVPQSA-N 2 2 327.469 1.477 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000496041234 255345540 /nfs/dbraw/zinc/34/55/40/255345540.db2.gz FJIXCEUAODBEQY-XNJGSVPQSA-N 2 2 327.469 1.477 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H](C)[C@@H]3CCC[NH2+]3)c[nH+]2)CC1 ZINC000496326852 255381549 /nfs/dbraw/zinc/38/15/49/255381549.db2.gz PDAQFDOGGNBPPQ-ZFWWWQNUSA-N 2 2 333.436 1.522 20 0 EDADLP COC(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000496456250 255393512 /nfs/dbraw/zinc/39/35/12/255393512.db2.gz VHROKCHOIJWPBV-UHFFFAOYSA-N 2 2 332.448 1.866 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496216521 255365654 /nfs/dbraw/zinc/36/56/54/255365654.db2.gz GTUBTHDPUBLWLP-KBAYOESNSA-N 2 2 347.459 1.754 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000496236471 255368426 /nfs/dbraw/zinc/36/84/26/255368426.db2.gz WIWJIYKTFOOWDM-SJORKVTESA-N 2 2 341.496 1.776 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000496236471 255368427 /nfs/dbraw/zinc/36/84/27/255368427.db2.gz WIWJIYKTFOOWDM-SJORKVTESA-N 2 2 341.496 1.776 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000496236471 255368428 /nfs/dbraw/zinc/36/84/28/255368428.db2.gz WIWJIYKTFOOWDM-SJORKVTESA-N 2 2 341.496 1.776 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000496236471 255368429 /nfs/dbraw/zinc/36/84/29/255368429.db2.gz WIWJIYKTFOOWDM-SJORKVTESA-N 2 2 341.496 1.776 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3cccnc3)CC2)CC1 ZINC000263962341 139372528 /nfs/dbraw/zinc/37/25/28/139372528.db2.gz QHQBIFPZMWREIJ-UHFFFAOYSA-N 2 2 332.448 1.135 20 0 EDADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]C2CCCC2)CC1 ZINC000116922322 221011402 /nfs/dbraw/zinc/01/14/02/221011402.db2.gz VBOWSUSHLFCBIO-UHFFFAOYSA-N 2 2 337.489 1.655 20 0 EDADLP CC[N@H+](CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000118119883 221123501 /nfs/dbraw/zinc/12/35/01/221123501.db2.gz FMDSILVTALRSIS-UHFFFAOYSA-N 2 2 343.431 1.657 20 0 EDADLP CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000118119883 221123502 /nfs/dbraw/zinc/12/35/02/221123502.db2.gz FMDSILVTALRSIS-UHFFFAOYSA-N 2 2 343.431 1.657 20 0 EDADLP C[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)Cn1cc[nH+]c1 ZINC000570582414 306545799 /nfs/dbraw/zinc/54/57/99/306545799.db2.gz VROPIDRIOJRSGK-GOEBONIOSA-N 2 2 336.505 1.853 20 0 EDADLP CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000352630761 285328868 /nfs/dbraw/zinc/32/88/68/285328868.db2.gz QRGZOUBYHYXWSU-CQSZACIVSA-N 2 2 325.478 1.463 20 0 EDADLP CC[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000352630761 285328870 /nfs/dbraw/zinc/32/88/70/285328870.db2.gz QRGZOUBYHYXWSU-CQSZACIVSA-N 2 2 325.478 1.463 20 0 EDADLP CC[NH+]1CCN(c2ncc(Cl)c(N3CC[NH+](CC)CC3)n2)CC1 ZINC000267079004 139581186 /nfs/dbraw/zinc/58/11/86/139581186.db2.gz GGHORRXPWQHTMV-UHFFFAOYSA-N 2 2 338.887 1.414 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416221438 304296707 /nfs/dbraw/zinc/29/67/07/304296707.db2.gz KZYMDTFWZKERAW-QGZVFWFLSA-N 2 2 345.487 1.614 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416221438 304296708 /nfs/dbraw/zinc/29/67/08/304296708.db2.gz KZYMDTFWZKERAW-QGZVFWFLSA-N 2 2 345.487 1.614 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420354243 292024967 /nfs/dbraw/zinc/02/49/67/292024967.db2.gz AZMJGYQDTVEXFG-IIYDPXPESA-N 2 2 333.432 1.412 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369667638 155132393 /nfs/dbraw/zinc/13/23/93/155132393.db2.gz VWUWZMMDYYQGFN-GDBMZVCRSA-N 2 2 344.463 1.928 20 0 EDADLP CS[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1[NH+](C)C ZINC000270543360 140120668 /nfs/dbraw/zinc/12/06/68/140120668.db2.gz YGJDNMUPANUPBH-KBPBESRZSA-N 2 2 331.445 1.385 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)N1 ZINC000271836622 140358777 /nfs/dbraw/zinc/35/87/77/140358777.db2.gz GEBOYKGXOLALNM-UHFFFAOYSA-N 2 2 339.399 1.483 20 0 EDADLP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331919923 141098320 /nfs/dbraw/zinc/09/83/20/141098320.db2.gz OBXMCRJYUCJSGH-HWOWSKLDSA-N 2 2 333.480 1.626 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000331933510 141099862 /nfs/dbraw/zinc/09/98/62/141099862.db2.gz ORWQBLHNRDKMOE-JKSUJKDBSA-N 2 2 338.402 1.843 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CCC([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000331933510 141099863 /nfs/dbraw/zinc/09/98/63/141099863.db2.gz ORWQBLHNRDKMOE-JKSUJKDBSA-N 2 2 338.402 1.843 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)[C@@H]1C ZINC000331965971 141104165 /nfs/dbraw/zinc/10/41/65/141104165.db2.gz RFVWTRKTGSSBMF-OAGGEKHMSA-N 2 2 333.480 1.483 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000332938067 141245612 /nfs/dbraw/zinc/24/56/12/141245612.db2.gz XUSLADQCFHBYBO-DOTOQJQBSA-N 2 2 349.479 1.334 20 0 EDADLP C[C@H]1COCC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000333406348 141312898 /nfs/dbraw/zinc/31/28/98/141312898.db2.gz GEMYRKYUXBYFHH-YOEHRIQHSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1=CC[N@H+](C)CC1 ZINC000333450986 141318956 /nfs/dbraw/zinc/31/89/56/141318956.db2.gz NPIBOXGDHHJYSM-QRTARXTBSA-N 2 2 347.463 1.590 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1=CC[N@@H+](C)CC1 ZINC000333450986 141318957 /nfs/dbraw/zinc/31/89/57/141318957.db2.gz NPIBOXGDHHJYSM-QRTARXTBSA-N 2 2 347.463 1.590 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333583353 141340734 /nfs/dbraw/zinc/34/07/34/141340734.db2.gz ALALUHMPJQGBLB-CVEARBPZSA-N 2 2 345.491 1.793 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CCN1C ZINC000333842644 141392377 /nfs/dbraw/zinc/39/23/77/141392377.db2.gz LOJQHUYLDGZBLG-UYSNPLJNSA-N 2 2 348.495 1.291 20 0 EDADLP COc1ccc([C@@H](NC(=O)CC2(C[NH3+])CC2)c2[nH+]ccn2C)cc1 ZINC000572360235 306586672 /nfs/dbraw/zinc/58/66/72/306586672.db2.gz NJFOJQISFFGBLJ-MRXNPFEDSA-N 2 2 328.416 1.763 20 0 EDADLP C[NH+]1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000339647636 142106918 /nfs/dbraw/zinc/10/69/18/142106918.db2.gz UIEOHSBOMHLANB-UHFFFAOYSA-N 2 2 327.432 1.431 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000340166410 142289685 /nfs/dbraw/zinc/28/96/85/142289685.db2.gz OZJPMGFBBHYPQI-MRXNPFEDSA-N 2 2 334.445 1.588 20 0 EDADLP CC[C@@H](C)[C@](C)(O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340248122 142318607 /nfs/dbraw/zinc/31/86/07/142318607.db2.gz BWEQVFJOXGSWPF-RHSMWYFYSA-N 2 2 328.501 1.109 20 0 EDADLP CO[C@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340249396 142319154 /nfs/dbraw/zinc/31/91/54/142319154.db2.gz HDCILOJTROVQPR-CVEARBPZSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000345721068 143125529 /nfs/dbraw/zinc/12/55/29/143125529.db2.gz NRXDFNJJMGUVQR-UHFFFAOYSA-N 2 2 333.476 1.981 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000345721068 143125530 /nfs/dbraw/zinc/12/55/30/143125530.db2.gz NRXDFNJJMGUVQR-UHFFFAOYSA-N 2 2 333.476 1.981 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000346446309 143205554 /nfs/dbraw/zinc/20/55/54/143205554.db2.gz PXRVJRTXSRCNDH-UHFFFAOYSA-N 2 2 343.387 1.409 20 0 EDADLP CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346474746 143208668 /nfs/dbraw/zinc/20/86/68/143208668.db2.gz CZVDJUGHUZYKIU-NJAFHUGGSA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346474746 143208669 /nfs/dbraw/zinc/20/86/69/143208669.db2.gz CZVDJUGHUZYKIU-NJAFHUGGSA-N 2 2 337.508 1.819 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346491112 143210414 /nfs/dbraw/zinc/21/04/14/143210414.db2.gz OXAZEQKXBYJOBL-NJAFHUGGSA-N 2 2 337.508 1.674 20 0 EDADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000346562547 143216887 /nfs/dbraw/zinc/21/68/87/143216887.db2.gz QBTCMXNUMSSYLK-RBUKOAKNSA-N 2 2 335.492 1.134 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC000346620946 143222901 /nfs/dbraw/zinc/22/29/01/143222901.db2.gz RPYZQBXNYPEDMK-CABCVRRESA-N 2 2 338.500 1.655 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC000346620946 143222902 /nfs/dbraw/zinc/22/29/02/143222902.db2.gz RPYZQBXNYPEDMK-CABCVRRESA-N 2 2 338.500 1.655 20 0 EDADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@H]1C ZINC000346671566 143229637 /nfs/dbraw/zinc/22/96/37/143229637.db2.gz JYILZMLRPAQJIY-BZUAXINKSA-N 2 2 345.443 1.897 20 0 EDADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@H]1C ZINC000346671566 143229638 /nfs/dbraw/zinc/22/96/38/143229638.db2.gz JYILZMLRPAQJIY-BZUAXINKSA-N 2 2 345.443 1.897 20 0 EDADLP c1nc(N2CC[NH+](CCOC3CCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000347089287 143281263 /nfs/dbraw/zinc/28/12/63/143281263.db2.gz ZUIGYEOVAMNUIM-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP CCCOc1c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cccc1OCC ZINC000347122975 143285162 /nfs/dbraw/zinc/28/51/62/143285162.db2.gz WOSBIXBQKGWKGV-UHFFFAOYSA-N 2 2 349.475 1.738 20 0 EDADLP CCCOc1c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cccc1OCC ZINC000347122975 143285163 /nfs/dbraw/zinc/28/51/63/143285163.db2.gz WOSBIXBQKGWKGV-UHFFFAOYSA-N 2 2 349.475 1.738 20 0 EDADLP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000351148513 143564240 /nfs/dbraw/zinc/56/42/40/143564240.db2.gz SNESXRZSYDTSQL-DYVFJYSZSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000572944512 306604374 /nfs/dbraw/zinc/60/43/74/306604374.db2.gz GFUITBKJOGRAQY-CVEARBPZSA-N 2 2 331.464 1.297 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369702594 155142170 /nfs/dbraw/zinc/14/21/70/155142170.db2.gz JKYGVNLSPJIJFO-SJLPKXTDSA-N 3 2 330.476 1.280 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369702594 155142172 /nfs/dbraw/zinc/14/21/72/155142172.db2.gz JKYGVNLSPJIJFO-SJLPKXTDSA-N 3 2 330.476 1.280 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369702594 155142174 /nfs/dbraw/zinc/14/21/74/155142174.db2.gz JKYGVNLSPJIJFO-SJLPKXTDSA-N 2 2 330.476 1.280 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](c2ccsc2)O1 ZINC000369814960 155187798 /nfs/dbraw/zinc/18/77/98/155187798.db2.gz VGEDVZOWFJKQQH-ZBFHGGJFSA-N 2 2 337.489 1.674 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](c2ccsc2)O1 ZINC000369814960 155187800 /nfs/dbraw/zinc/18/78/00/155187800.db2.gz VGEDVZOWFJKQQH-ZBFHGGJFSA-N 2 2 337.489 1.674 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000369873990 155212589 /nfs/dbraw/zinc/21/25/89/155212589.db2.gz WFRDCTMIGWHYEN-MRXNPFEDSA-N 2 2 327.432 1.836 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000369873990 155212598 /nfs/dbraw/zinc/21/25/98/155212598.db2.gz WFRDCTMIGWHYEN-MRXNPFEDSA-N 2 2 327.432 1.836 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000369883230 155218729 /nfs/dbraw/zinc/21/87/29/155218729.db2.gz QJUGUZUGIFHHME-UHFFFAOYSA-N 2 2 333.480 1.258 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000369883230 155218730 /nfs/dbraw/zinc/21/87/30/155218730.db2.gz QJUGUZUGIFHHME-UHFFFAOYSA-N 2 2 333.480 1.258 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000340602106 149056058 /nfs/dbraw/zinc/05/60/58/149056058.db2.gz BHUNPDKIVYJDBN-MRXNPFEDSA-N 2 2 331.416 1.683 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416894771 304354041 /nfs/dbraw/zinc/35/40/41/304354041.db2.gz RHEPESHPEQFTBF-SJORKVTESA-N 2 2 332.448 1.193 20 0 EDADLP COc1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1OC(C)C ZINC000352717224 149127894 /nfs/dbraw/zinc/12/78/94/149127894.db2.gz HEUVBARRNOZHCF-KRWDZBQOSA-N 2 2 333.476 1.962 20 0 EDADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCNC1=O ZINC000352721045 149128202 /nfs/dbraw/zinc/12/82/02/149128202.db2.gz YNTSOOWPADKFOD-SFHVURJKSA-N 2 2 330.476 1.015 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCNC1=O ZINC000352721045 149128203 /nfs/dbraw/zinc/12/82/03/149128203.db2.gz YNTSOOWPADKFOD-SFHVURJKSA-N 2 2 330.476 1.015 20 0 EDADLP Clc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(-n2cncn2)c1 ZINC000352719682 149128816 /nfs/dbraw/zinc/12/88/16/149128816.db2.gz LSENOAHRJTZYEO-MRXNPFEDSA-N 2 2 346.866 1.400 20 0 EDADLP COc1cc(C[C@H](CO)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(OC)c1 ZINC000352808943 149175300 /nfs/dbraw/zinc/17/53/00/149175300.db2.gz DQKGPBCLNXFDPO-IIMJZQEZSA-N 2 2 348.487 1.927 20 0 EDADLP COc1cc(C[C@H](CO)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc(OC)c1 ZINC000352808943 149175301 /nfs/dbraw/zinc/17/53/01/149175301.db2.gz DQKGPBCLNXFDPO-IIMJZQEZSA-N 2 2 348.487 1.927 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000352818675 149180363 /nfs/dbraw/zinc/18/03/63/149180363.db2.gz OJORPPZVGDXUTN-LMMKCTJWSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000352818675 149180365 /nfs/dbraw/zinc/18/03/65/149180365.db2.gz OJORPPZVGDXUTN-LMMKCTJWSA-N 2 2 344.503 1.526 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369913127 155228443 /nfs/dbraw/zinc/22/84/43/155228443.db2.gz PVYZPNPPHZJEGP-XHSDSOJGSA-N 2 2 348.443 1.752 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000369913127 155228447 /nfs/dbraw/zinc/22/84/47/155228447.db2.gz PVYZPNPPHZJEGP-XHSDSOJGSA-N 2 2 348.443 1.752 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353163725 149309410 /nfs/dbraw/zinc/30/94/10/149309410.db2.gz DMUCIAMGUYQNLO-WFFDWFOESA-N 2 2 343.471 1.663 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353163725 149309413 /nfs/dbraw/zinc/30/94/13/149309413.db2.gz DMUCIAMGUYQNLO-WFFDWFOESA-N 2 2 343.471 1.663 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353163725 149309416 /nfs/dbraw/zinc/30/94/16/149309416.db2.gz DMUCIAMGUYQNLO-WFFDWFOESA-N 2 2 343.471 1.663 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353163725 149309421 /nfs/dbraw/zinc/30/94/21/149309421.db2.gz DMUCIAMGUYQNLO-WFFDWFOESA-N 2 2 343.471 1.663 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(NC=O)cc3)C2)CC1 ZINC000369924615 155236622 /nfs/dbraw/zinc/23/66/22/155236622.db2.gz CQDWIKUZYKKFHR-INIZCTEOSA-N 2 2 330.432 1.153 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(NC=O)cc3)C2)CC1 ZINC000369924615 155236626 /nfs/dbraw/zinc/23/66/26/155236626.db2.gz CQDWIKUZYKKFHR-INIZCTEOSA-N 2 2 330.432 1.153 20 0 EDADLP C[C@@H]1CN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C[C@@H]1[NH3+] ZINC000416964033 304356366 /nfs/dbraw/zinc/35/63/66/304356366.db2.gz VIXVLCRZFFLEDB-ZBFHGGJFSA-N 2 2 327.432 1.463 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000416979862 304360503 /nfs/dbraw/zinc/36/05/03/304360503.db2.gz IMGGCNMZDFWRFO-HNNXBMFYSA-N 2 2 335.452 1.091 20 0 EDADLP C[C@@H](CO)CCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355065285 150099492 /nfs/dbraw/zinc/09/94/92/150099492.db2.gz IGYSRCXKPRFYED-HZPDHXFCSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@@H](CO)CCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355065285 150099493 /nfs/dbraw/zinc/09/94/93/150099493.db2.gz IGYSRCXKPRFYED-HZPDHXFCSA-N 2 2 340.512 1.205 20 0 EDADLP CC(C)[C@H](C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccnc1 ZINC000573677004 306629279 /nfs/dbraw/zinc/62/92/79/306629279.db2.gz YTTQGXSKAWTUIJ-RWQQGDIJSA-N 2 2 335.492 1.881 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355457501 150276933 /nfs/dbraw/zinc/27/69/33/150276933.db2.gz PPPRKOKXSXSYMI-WMZOPIPTSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355457501 150276935 /nfs/dbraw/zinc/27/69/35/150276935.db2.gz PPPRKOKXSXSYMI-WMZOPIPTSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(N[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355457501 150276938 /nfs/dbraw/zinc/27/69/38/150276938.db2.gz PPPRKOKXSXSYMI-WMZOPIPTSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(N[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355457501 150276939 /nfs/dbraw/zinc/27/69/39/150276939.db2.gz PPPRKOKXSXSYMI-WMZOPIPTSA-N 2 2 329.444 1.240 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357302341 150989624 /nfs/dbraw/zinc/98/96/24/150989624.db2.gz QFMXMKXPRPAJML-IIDMSEBBSA-N 2 2 331.460 1.635 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000357433042 151030917 /nfs/dbraw/zinc/03/09/17/151030917.db2.gz COBILUDWOFAFAK-OALUTQOASA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000357433042 151030920 /nfs/dbraw/zinc/03/09/20/151030920.db2.gz COBILUDWOFAFAK-OALUTQOASA-N 2 2 345.487 1.734 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417067043 304368847 /nfs/dbraw/zinc/36/88/47/304368847.db2.gz CQQMIWADUOXKGQ-DLBZAZTESA-N 2 2 339.443 1.938 20 0 EDADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357648482 151100744 /nfs/dbraw/zinc/10/07/44/151100744.db2.gz MDZRRKCPQOHXPM-MRXNPFEDSA-N 2 2 327.513 1.706 20 0 EDADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357648482 151100747 /nfs/dbraw/zinc/10/07/47/151100747.db2.gz MDZRRKCPQOHXPM-MRXNPFEDSA-N 2 2 327.513 1.706 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000357734212 151130517 /nfs/dbraw/zinc/13/05/17/151130517.db2.gz VVOIYYHIZFKSST-JKSUJKDBSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000357734212 151130518 /nfs/dbraw/zinc/13/05/18/151130518.db2.gz VVOIYYHIZFKSST-JKSUJKDBSA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000357761983 151142671 /nfs/dbraw/zinc/14/26/71/151142671.db2.gz ABABMAVBUTZRMQ-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000357761983 151142673 /nfs/dbraw/zinc/14/26/73/151142673.db2.gz ABABMAVBUTZRMQ-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000357761983 151142675 /nfs/dbraw/zinc/14/26/75/151142675.db2.gz ABABMAVBUTZRMQ-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000357761983 151142676 /nfs/dbraw/zinc/14/26/76/151142676.db2.gz ABABMAVBUTZRMQ-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358065669 151254348 /nfs/dbraw/zinc/25/43/48/151254348.db2.gz NBGUEROOOOQHNW-HNNXBMFYSA-N 2 2 328.416 1.713 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000358094983 151268289 /nfs/dbraw/zinc/26/82/89/151268289.db2.gz LMTVYJNPZGGMOM-FUHWJXTLSA-N 2 2 349.523 1.058 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000358094983 151268292 /nfs/dbraw/zinc/26/82/92/151268292.db2.gz LMTVYJNPZGGMOM-FUHWJXTLSA-N 2 2 349.523 1.058 20 0 EDADLP c1cc2[nH+]ccc(NC[C@]3([NH+]4CCOCC4)CCSC3)c2cn1 ZINC000370096672 155321767 /nfs/dbraw/zinc/32/17/67/155321767.db2.gz GDZBQFPFGQXDJS-QGZVFWFLSA-N 2 2 330.457 1.672 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357082692 286301715 /nfs/dbraw/zinc/30/17/15/286301715.db2.gz OXZIJXLWDLSAEX-CVEARBPZSA-N 2 2 347.459 1.204 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357082692 286301718 /nfs/dbraw/zinc/30/17/18/286301718.db2.gz OXZIJXLWDLSAEX-CVEARBPZSA-N 2 2 347.459 1.204 20 0 EDADLP C[C@H](Oc1ccccc1F)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360885391 152241523 /nfs/dbraw/zinc/24/15/23/152241523.db2.gz VNVPEHGXEGRLER-AWEZNQCLSA-N 2 2 337.439 1.735 20 0 EDADLP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@H](O)C(F)(F)F ZINC000360952415 152262050 /nfs/dbraw/zinc/26/20/50/152262050.db2.gz ZZEAQHNMNZSYLI-OCCSQVGLSA-N 2 2 340.386 1.695 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)cs1 ZINC000361003087 152276007 /nfs/dbraw/zinc/27/60/07/152276007.db2.gz NAGPPQIQTKALNP-CQSZACIVSA-N 2 2 326.510 1.492 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361034420 152284905 /nfs/dbraw/zinc/28/49/05/152284905.db2.gz YDHOMDYMAQQFKZ-UHFFFAOYSA-N 2 2 330.436 1.982 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000361046013 152288247 /nfs/dbraw/zinc/28/82/47/152288247.db2.gz ZHEQDCYPHXHDBQ-LJQANCHMSA-N 2 2 341.459 1.269 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000361046013 152288249 /nfs/dbraw/zinc/28/82/49/152288249.db2.gz ZHEQDCYPHXHDBQ-LJQANCHMSA-N 2 2 341.459 1.269 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)CC[N@@H+]1C ZINC000361115878 152309570 /nfs/dbraw/zinc/30/95/70/152309570.db2.gz YSKWOJMKXFQLHW-YOEHRIQHSA-N 2 2 345.491 1.356 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)CC[N@H+]1C ZINC000361115878 152309571 /nfs/dbraw/zinc/30/95/71/152309571.db2.gz YSKWOJMKXFQLHW-YOEHRIQHSA-N 2 2 345.491 1.356 20 0 EDADLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cncc(F)c1 ZINC000361131322 152315974 /nfs/dbraw/zinc/31/59/74/152315974.db2.gz ITPWOGRHFOOFBH-CYBMUJFWSA-N 2 2 338.427 1.098 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(N2CCCC2=O)c1 ZINC000361344127 152366412 /nfs/dbraw/zinc/36/64/12/152366412.db2.gz BZHDPLUNPIJIPC-YJBOKZPZSA-N 2 2 330.476 1.710 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(N2CCCC2=O)c1 ZINC000361344127 152366414 /nfs/dbraw/zinc/36/64/14/152366414.db2.gz BZHDPLUNPIJIPC-YJBOKZPZSA-N 2 2 330.476 1.710 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000370165295 155358887 /nfs/dbraw/zinc/35/88/87/155358887.db2.gz VCDCRMIXVSAPCG-MRXNPFEDSA-N 3 2 347.507 1.714 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000370165295 155358888 /nfs/dbraw/zinc/35/88/88/155358888.db2.gz VCDCRMIXVSAPCG-MRXNPFEDSA-N 3 2 347.507 1.714 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000363635576 153018632 /nfs/dbraw/zinc/01/86/32/153018632.db2.gz IMCIMFKDORSYKJ-UHFFFAOYSA-N 2 2 344.463 1.344 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417186648 304382295 /nfs/dbraw/zinc/38/22/95/304382295.db2.gz VMDXXMARPWUOSA-DLBZAZTESA-N 2 2 334.464 1.405 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000363854625 153076017 /nfs/dbraw/zinc/07/60/17/153076017.db2.gz VETMNNXSQWIFAO-CYBMUJFWSA-N 2 2 336.505 1.868 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000363854625 153076019 /nfs/dbraw/zinc/07/60/19/153076019.db2.gz VETMNNXSQWIFAO-CYBMUJFWSA-N 2 2 336.505 1.868 20 0 EDADLP CNC(=O)[C@@H]1CCC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000363854625 153076021 /nfs/dbraw/zinc/07/60/21/153076021.db2.gz VETMNNXSQWIFAO-CYBMUJFWSA-N 2 2 336.505 1.868 20 0 EDADLP CNC(=O)[C@@H]1CCC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000363854625 153076023 /nfs/dbraw/zinc/07/60/23/153076023.db2.gz VETMNNXSQWIFAO-CYBMUJFWSA-N 2 2 336.505 1.868 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H](C)[NH+]1CCO ZINC000364188813 153166762 /nfs/dbraw/zinc/16/67/62/153166762.db2.gz NCGASCGBLMDMLI-ZHALLVOQSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H](C)[NH+]1CCO ZINC000364188813 153166764 /nfs/dbraw/zinc/16/67/64/153166764.db2.gz NCGASCGBLMDMLI-ZHALLVOQSA-N 2 2 345.487 1.565 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]CC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000364250862 153187942 /nfs/dbraw/zinc/18/79/42/153187942.db2.gz NQPGPMDJDNAIJE-OAHLLOKOSA-N 2 2 332.448 1.314 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)c1 ZINC000364312214 153204456 /nfs/dbraw/zinc/20/44/56/153204456.db2.gz BKICCPZTKXDFOW-CQSZACIVSA-N 2 2 341.415 1.198 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364386476 153223383 /nfs/dbraw/zinc/22/33/83/153223383.db2.gz DTQBQNXXQONAED-MRXNPFEDSA-N 2 2 342.443 1.702 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364424830 153233711 /nfs/dbraw/zinc/23/37/11/153233711.db2.gz OSEOXGWUEHAOFH-OAHLLOKOSA-N 2 2 334.464 1.451 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000364839781 153349179 /nfs/dbraw/zinc/34/91/79/153349179.db2.gz NVOXTZYALIFCFO-HNNXBMFYSA-N 2 2 325.478 1.178 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000364839781 153349181 /nfs/dbraw/zinc/34/91/81/153349181.db2.gz NVOXTZYALIFCFO-HNNXBMFYSA-N 2 2 325.478 1.178 20 0 EDADLP NC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000364929220 153373014 /nfs/dbraw/zinc/37/30/14/153373014.db2.gz DRTRVWGQFAYLCW-IBGZPJMESA-N 2 2 338.455 1.732 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000367111086 154011893 /nfs/dbraw/zinc/01/18/93/154011893.db2.gz RNWCPECDSRPCPC-MRXNPFEDSA-N 2 2 348.466 1.724 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000367111086 154011894 /nfs/dbraw/zinc/01/18/94/154011894.db2.gz RNWCPECDSRPCPC-MRXNPFEDSA-N 2 2 348.466 1.724 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnnn3-c3ccccc3)C2)CC1 ZINC000367361808 154088425 /nfs/dbraw/zinc/08/84/25/154088425.db2.gz RUUBUYWSXFNYEU-GOSISDBHSA-N 2 2 340.475 1.479 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnnn3-c3ccccc3)C2)CC1 ZINC000367361808 154088427 /nfs/dbraw/zinc/08/84/27/154088427.db2.gz RUUBUYWSXFNYEU-GOSISDBHSA-N 2 2 340.475 1.479 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3n[nH]c(=O)s3)CC2)CC1 ZINC000367459353 154131596 /nfs/dbraw/zinc/13/15/96/154131596.db2.gz SNHJPPAGPYWNGI-UHFFFAOYSA-N 2 2 325.482 1.236 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000367499303 154149722 /nfs/dbraw/zinc/14/97/22/154149722.db2.gz AWMFZXXLVQIGMC-CQSZACIVSA-N 2 2 328.482 1.535 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000367499303 154149727 /nfs/dbraw/zinc/14/97/27/154149727.db2.gz AWMFZXXLVQIGMC-CQSZACIVSA-N 2 2 328.482 1.535 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1-n1ccnn1 ZINC000367586814 154186701 /nfs/dbraw/zinc/18/67/01/154186701.db2.gz HXBPSCDCHPGPRW-XHSDSOJGSA-N 2 2 327.432 1.781 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1-n1ccnn1 ZINC000367586814 154186704 /nfs/dbraw/zinc/18/67/04/154186704.db2.gz HXBPSCDCHPGPRW-XHSDSOJGSA-N 2 2 327.432 1.781 20 0 EDADLP Cc1ccnc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000367614287 154200774 /nfs/dbraw/zinc/20/07/74/154200774.db2.gz GIJKGLMORMASRE-IAGOWNOFSA-N 2 2 346.475 1.364 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@@H]2CCCSC2)CC1 ZINC000367904257 154319143 /nfs/dbraw/zinc/31/91/43/154319143.db2.gz PMDDFCCLGDWFQM-INIZCTEOSA-N 2 2 327.538 1.516 20 0 EDADLP C(C[NH+]1CCC([NH2+]C[C@@H]2CCCSC2)CC1)N1CCOCC1 ZINC000367904257 154319148 /nfs/dbraw/zinc/31/91/48/154319148.db2.gz PMDDFCCLGDWFQM-INIZCTEOSA-N 2 2 327.538 1.516 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](CC(N)=O)C3)c2cc1C ZINC000367993514 154359021 /nfs/dbraw/zinc/35/90/21/154359021.db2.gz LZAQOCHSFAUWRW-GJZGRUSLSA-N 2 2 330.432 1.211 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](CC(N)=O)C3)c2cc1C ZINC000367993514 154359027 /nfs/dbraw/zinc/35/90/27/154359027.db2.gz LZAQOCHSFAUWRW-GJZGRUSLSA-N 2 2 330.432 1.211 20 0 EDADLP O=C(CC[N@@H+]1C[C@H]2CCCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000368002823 154362515 /nfs/dbraw/zinc/36/25/15/154362515.db2.gz YQYVQCXZAASVHV-IAGOWNOFSA-N 2 2 328.460 1.995 20 0 EDADLP O=C(CC[N@H+]1C[C@H]2CCCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000368002823 154362518 /nfs/dbraw/zinc/36/25/18/154362518.db2.gz YQYVQCXZAASVHV-IAGOWNOFSA-N 2 2 328.460 1.995 20 0 EDADLP CC1(C)C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C(C)(C)O1 ZINC000368033442 154378390 /nfs/dbraw/zinc/37/83/90/154378390.db2.gz GKIOXMBQLCKADJ-QGZVFWFLSA-N 2 2 339.524 1.719 20 0 EDADLP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C(C)(C)O1 ZINC000368033442 154378393 /nfs/dbraw/zinc/37/83/93/154378393.db2.gz GKIOXMBQLCKADJ-QGZVFWFLSA-N 2 2 339.524 1.719 20 0 EDADLP COC1(CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCC1 ZINC000368073557 154398673 /nfs/dbraw/zinc/39/86/73/154398673.db2.gz FRSNIQKIQSLYAC-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP COC1(CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCC1 ZINC000368073557 154398676 /nfs/dbraw/zinc/39/86/76/154398676.db2.gz FRSNIQKIQSLYAC-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1noc(C)c1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369393266 155011358 /nfs/dbraw/zinc/01/13/58/155011358.db2.gz LXBIRFQAGKCQAR-CQSZACIVSA-N 2 2 335.452 1.259 20 0 EDADLP Cc1noc(C)c1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369393266 155011361 /nfs/dbraw/zinc/01/13/61/155011361.db2.gz LXBIRFQAGKCQAR-CQSZACIVSA-N 2 2 335.452 1.259 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369566452 155088703 /nfs/dbraw/zinc/08/87/03/155088703.db2.gz CPOPOVQXTOTLDU-OAGGEKHMSA-N 2 2 333.480 1.865 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369566452 155088707 /nfs/dbraw/zinc/08/87/07/155088707.db2.gz CPOPOVQXTOTLDU-OAGGEKHMSA-N 2 2 333.480 1.865 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCOC(C)(C)C2)CC1 ZINC000372269491 156295768 /nfs/dbraw/zinc/29/57/68/156295768.db2.gz BDQVDLMIJFXALG-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP COc1cccc([C@@H](NC(=O)NCC[NH+](C)C)c2[nH+]ccn2C)c1 ZINC000372363601 156352576 /nfs/dbraw/zinc/35/25/76/156352576.db2.gz BDSJOFSBAHEBLY-OAHLLOKOSA-N 2 2 331.420 1.379 20 0 EDADLP CCOc1cccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000372415867 156379345 /nfs/dbraw/zinc/37/93/45/156379345.db2.gz KRXHKYOQAFKCEI-YLJYHZDGSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000372415867 156379347 /nfs/dbraw/zinc/37/93/47/156379347.db2.gz KRXHKYOQAFKCEI-YLJYHZDGSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000372415867 156379348 /nfs/dbraw/zinc/37/93/48/156379348.db2.gz KRXHKYOQAFKCEI-YLJYHZDGSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000372415867 156379350 /nfs/dbraw/zinc/37/93/50/156379350.db2.gz KRXHKYOQAFKCEI-YLJYHZDGSA-N 2 2 347.503 1.922 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C[C@H]1C ZINC000374423285 157286506 /nfs/dbraw/zinc/28/65/06/157286506.db2.gz ROGMZLHKGWVSTA-CVEARBPZSA-N 2 2 349.479 1.431 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C[C@H]1C ZINC000374423285 157286511 /nfs/dbraw/zinc/28/65/11/157286511.db2.gz ROGMZLHKGWVSTA-CVEARBPZSA-N 2 2 349.479 1.431 20 0 EDADLP Cc1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000374622408 157348583 /nfs/dbraw/zinc/34/85/83/157348583.db2.gz ZFFLOAJUUMXTDW-OAHLLOKOSA-N 2 2 334.464 1.898 20 0 EDADLP Cc1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000374622408 157348585 /nfs/dbraw/zinc/34/85/85/157348585.db2.gz ZFFLOAJUUMXTDW-OAHLLOKOSA-N 2 2 334.464 1.898 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCOCC1 ZINC000375602583 157612569 /nfs/dbraw/zinc/61/25/69/157612569.db2.gz IBPNNRVPFDDLGE-SJORKVTESA-N 2 2 346.475 1.829 20 0 EDADLP CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000377636888 157963660 /nfs/dbraw/zinc/96/36/60/157963660.db2.gz LVIOXVLQWVLMRL-UHFFFAOYSA-N 2 2 342.447 1.939 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000377966185 158042111 /nfs/dbraw/zinc/04/21/11/158042111.db2.gz NQZYEUHXFWMQNK-NVXWUHKLSA-N 2 2 347.507 1.144 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000377966185 158042113 /nfs/dbraw/zinc/04/21/13/158042113.db2.gz NQZYEUHXFWMQNK-NVXWUHKLSA-N 2 2 347.507 1.144 20 0 EDADLP CC(C)n1ccnc1C[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000377966809 158042160 /nfs/dbraw/zinc/04/21/60/158042160.db2.gz YQYSPZJUWVRJCX-UHFFFAOYSA-N 2 2 347.507 1.840 20 0 EDADLP CC(C)n1ccnc1C[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000377966809 158042162 /nfs/dbraw/zinc/04/21/62/158042162.db2.gz YQYSPZJUWVRJCX-UHFFFAOYSA-N 2 2 347.507 1.840 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000377966809 158042164 /nfs/dbraw/zinc/04/21/64/158042164.db2.gz YQYSPZJUWVRJCX-UHFFFAOYSA-N 2 2 347.507 1.840 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000378288039 158129929 /nfs/dbraw/zinc/12/99/29/158129929.db2.gz LXCCGWLLQMDGLJ-NVXWUHKLSA-N 2 2 346.475 1.817 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000378288039 158129930 /nfs/dbraw/zinc/12/99/30/158129930.db2.gz LXCCGWLLQMDGLJ-NVXWUHKLSA-N 2 2 346.475 1.817 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000378288039 158129932 /nfs/dbraw/zinc/12/99/32/158129932.db2.gz LXCCGWLLQMDGLJ-NVXWUHKLSA-N 2 2 346.475 1.817 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000378288039 158129933 /nfs/dbraw/zinc/12/99/33/158129933.db2.gz LXCCGWLLQMDGLJ-NVXWUHKLSA-N 2 2 346.475 1.817 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378367699 158153475 /nfs/dbraw/zinc/15/34/75/158153475.db2.gz SIDBKEBRWIHMAC-AWEZNQCLSA-N 2 2 345.443 1.656 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378367699 158153480 /nfs/dbraw/zinc/15/34/80/158153480.db2.gz SIDBKEBRWIHMAC-AWEZNQCLSA-N 2 2 345.443 1.656 20 0 EDADLP C[N@H+](C[C@H](O)CN1C[C@H]2OCC[NH+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000352365005 162141473 /nfs/dbraw/zinc/14/14/73/162141473.db2.gz LTXSDCCGKURMDZ-XUVXKRRUSA-N 2 2 345.487 1.027 20 0 EDADLP C[N@@H+](C[C@H](O)CN1C[C@H]2OCC[NH+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000352365005 162141474 /nfs/dbraw/zinc/14/14/74/162141474.db2.gz LTXSDCCGKURMDZ-XUVXKRRUSA-N 2 2 345.487 1.027 20 0 EDADLP C[NH+](C[C@H](O)CN1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000352365005 162141475 /nfs/dbraw/zinc/14/14/75/162141475.db2.gz LTXSDCCGKURMDZ-XUVXKRRUSA-N 2 2 345.487 1.027 20 0 EDADLP C[NH+](C[C@H](O)CN1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000352365005 162141476 /nfs/dbraw/zinc/14/14/76/162141476.db2.gz LTXSDCCGKURMDZ-XUVXKRRUSA-N 2 2 345.487 1.027 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352489019 162208248 /nfs/dbraw/zinc/20/82/48/162208248.db2.gz WZAXTRKKAMJYQL-WMZOPIPTSA-N 2 2 330.476 1.013 20 0 EDADLP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352503731 162217210 /nfs/dbraw/zinc/21/72/10/162217210.db2.gz JOQZMOHAMFOMOC-APWZRJJASA-N 2 2 344.503 1.406 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000357225089 162283003 /nfs/dbraw/zinc/28/30/03/162283003.db2.gz CRWNLJBTZRMHNB-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000357225089 162283007 /nfs/dbraw/zinc/28/30/07/162283007.db2.gz CRWNLJBTZRMHNB-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652385 162286890 /nfs/dbraw/zinc/28/68/90/162286890.db2.gz UXJZLIJRZLCAIH-UHFFFAOYSA-N 2 2 333.476 1.424 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652385 162286893 /nfs/dbraw/zinc/28/68/93/162286893.db2.gz UXJZLIJRZLCAIH-UHFFFAOYSA-N 2 2 333.476 1.424 20 0 EDADLP CN(Cc1ccccn1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761692 287221741 /nfs/dbraw/zinc/22/17/41/287221741.db2.gz YNPSNKSRTAWSHW-UHFFFAOYSA-N 2 2 345.491 1.782 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2=Cc3cc(F)ccc3OC2)CC1 ZINC000121438788 221844295 /nfs/dbraw/zinc/84/42/95/221844295.db2.gz WBVGUJVCPMFBSI-UHFFFAOYSA-N 2 2 347.434 1.744 20 0 EDADLP COC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000128780275 287463746 /nfs/dbraw/zinc/46/37/46/287463746.db2.gz MJKVKHKKNMGLEM-MRXNPFEDSA-N 2 2 334.464 1.381 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000132937975 287531974 /nfs/dbraw/zinc/53/19/74/287531974.db2.gz UGRFAXQPFMSYGK-HUUCEWRRSA-N 2 2 327.469 1.554 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000418499412 304503941 /nfs/dbraw/zinc/50/39/41/304503941.db2.gz OAHSASFKQBAIDJ-MRXNPFEDSA-N 2 2 336.867 1.905 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000420354706 287633832 /nfs/dbraw/zinc/63/38/32/287633832.db2.gz BIHRFRBFTKDLDA-RRIFGTCXSA-N 3 2 332.492 1.382 20 0 EDADLP C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000237078590 273007588 /nfs/dbraw/zinc/00/75/88/273007588.db2.gz LPJCGNCGMZAPGI-QGZVFWFLSA-N 2 2 331.460 1.590 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCO[C@@H](C)C3)CC2)c1 ZINC000170766685 267523298 /nfs/dbraw/zinc/52/32/98/267523298.db2.gz CNXKGBUFUFOYFW-SFHVURJKSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCO[C@@H](C)C3)CC2)c1 ZINC000170766685 267523301 /nfs/dbraw/zinc/52/33/01/267523301.db2.gz CNXKGBUFUFOYFW-SFHVURJKSA-N 2 2 345.487 1.750 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000273256502 268005882 /nfs/dbraw/zinc/00/58/82/268005882.db2.gz YSXTVSMMDDVNGA-HOCLYGCPSA-N 2 2 345.447 1.321 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000273256502 268005885 /nfs/dbraw/zinc/00/58/85/268005885.db2.gz YSXTVSMMDDVNGA-HOCLYGCPSA-N 2 2 345.447 1.321 20 0 EDADLP CCC[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370626 452560528 /nfs/dbraw/zinc/56/05/28/452560528.db2.gz HFLZFZIWAGDCCH-GOEBONIOSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370626 452560536 /nfs/dbraw/zinc/56/05/36/452560536.db2.gz HFLZFZIWAGDCCH-GOEBONIOSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000274580365 268163036 /nfs/dbraw/zinc/16/30/36/268163036.db2.gz FDHYOXIZHBOQFG-DOMZBBRYSA-N 2 2 347.488 1.916 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cn[nH]c1 ZINC000275029316 268268141 /nfs/dbraw/zinc/26/81/41/268268141.db2.gz ADIVTVGMVHNXSX-CQSZACIVSA-N 2 2 328.420 1.194 20 0 EDADLP COCc1cccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000275271231 268311734 /nfs/dbraw/zinc/31/17/34/268311734.db2.gz JJOWGJAQZDDXSM-UHFFFAOYSA-N 2 2 347.503 1.860 20 0 EDADLP COCc1cccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000275271231 268311736 /nfs/dbraw/zinc/31/17/36/268311736.db2.gz JJOWGJAQZDDXSM-UHFFFAOYSA-N 2 2 347.503 1.860 20 0 EDADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC000275380432 268333699 /nfs/dbraw/zinc/33/36/99/268333699.db2.gz AZGUIODNIPQSIC-SFHVURJKSA-N 2 2 345.487 1.424 20 0 EDADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC000275380432 268333700 /nfs/dbraw/zinc/33/37/00/268333700.db2.gz AZGUIODNIPQSIC-SFHVURJKSA-N 2 2 345.487 1.424 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CC ZINC000273671680 273051465 /nfs/dbraw/zinc/05/14/65/273051465.db2.gz ZLFGEXMDICNANA-OAHLLOKOSA-N 2 2 334.464 1.721 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1CC ZINC000273671680 273051466 /nfs/dbraw/zinc/05/14/66/273051466.db2.gz ZLFGEXMDICNANA-OAHLLOKOSA-N 2 2 334.464 1.721 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000275928279 273135996 /nfs/dbraw/zinc/13/59/96/273135996.db2.gz VMIJROUTPBJVNN-CQSZACIVSA-N 2 2 332.448 1.826 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000278949706 273275410 /nfs/dbraw/zinc/27/54/10/273275410.db2.gz XDEGBVJGEUVXJA-HNNXBMFYSA-N 2 2 334.464 1.933 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[N@@H+]1C ZINC000279155585 273284157 /nfs/dbraw/zinc/28/41/57/273284157.db2.gz HQQXVAZEHLVBEE-ROUUACIJSA-N 2 2 345.487 1.940 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[N@H+]1C ZINC000279155585 273284158 /nfs/dbraw/zinc/28/41/58/273284158.db2.gz HQQXVAZEHLVBEE-ROUUACIJSA-N 2 2 345.487 1.940 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000279239330 273287294 /nfs/dbraw/zinc/28/72/94/273287294.db2.gz FUZOHHBXBVGMTO-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000279239330 273287295 /nfs/dbraw/zinc/28/72/95/273287295.db2.gz FUZOHHBXBVGMTO-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c[nH+]2)CCO1 ZINC000279464049 273299778 /nfs/dbraw/zinc/29/97/78/273299778.db2.gz JHSGDGCBFUWXNW-PBHICJAKSA-N 2 2 344.459 1.550 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)c[nH+]2)CCO1 ZINC000279464049 273299779 /nfs/dbraw/zinc/29/97/79/273299779.db2.gz JHSGDGCBFUWXNW-PBHICJAKSA-N 2 2 344.459 1.550 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH+]1C1CC1 ZINC000279793497 273327672 /nfs/dbraw/zinc/32/76/72/273327672.db2.gz VHARNSUTKJOOEU-RBUKOAKNSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH+]1C1CC1 ZINC000279793497 273327673 /nfs/dbraw/zinc/32/76/73/273327673.db2.gz VHARNSUTKJOOEU-RBUKOAKNSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279793497 273327674 /nfs/dbraw/zinc/32/76/74/273327674.db2.gz VHARNSUTKJOOEU-RBUKOAKNSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279793497 273327675 /nfs/dbraw/zinc/32/76/75/273327675.db2.gz VHARNSUTKJOOEU-RBUKOAKNSA-N 2 2 343.471 1.630 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000280771822 273396417 /nfs/dbraw/zinc/39/64/17/273396417.db2.gz FEURCMIIMYFPGS-OAHLLOKOSA-N 2 2 334.855 1.256 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000280771822 273396419 /nfs/dbraw/zinc/39/64/19/273396419.db2.gz FEURCMIIMYFPGS-OAHLLOKOSA-N 2 2 334.855 1.256 20 0 EDADLP Cn1cc[nH+]c1CN(Cc1ncc(Cl)n1C)[C@H]1CC12CC[NH2+]CC2 ZINC000283241323 273807165 /nfs/dbraw/zinc/80/71/65/273807165.db2.gz JJNXCHIRBSZWLS-ZDUSSCGKSA-N 2 2 348.882 1.951 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000284278739 274143919 /nfs/dbraw/zinc/14/39/19/274143919.db2.gz NHEYUHVBQRWJCO-UHFFFAOYSA-N 2 2 349.479 1.149 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000284278739 274143921 /nfs/dbraw/zinc/14/39/21/274143921.db2.gz NHEYUHVBQRWJCO-UHFFFAOYSA-N 2 2 349.479 1.149 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@H]21 ZINC000284881957 274371357 /nfs/dbraw/zinc/37/13/57/274371357.db2.gz ZIZACGZLOXFPHD-RTBURBONSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@H]21 ZINC000284881957 274371360 /nfs/dbraw/zinc/37/13/60/274371360.db2.gz ZIZACGZLOXFPHD-RTBURBONSA-N 2 2 343.471 1.828 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000658053456 452709442 /nfs/dbraw/zinc/70/94/42/452709442.db2.gz BDNFXJSSWZQIDF-JSGCOSHPSA-N 2 2 325.478 1.857 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000658053456 452709457 /nfs/dbraw/zinc/70/94/57/452709457.db2.gz BDNFXJSSWZQIDF-JSGCOSHPSA-N 2 2 325.478 1.857 20 0 EDADLP CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000664009455 452710926 /nfs/dbraw/zinc/71/09/26/452710926.db2.gz XDOLRNFFIGKNCJ-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664009455 452710945 /nfs/dbraw/zinc/71/09/45/452710945.db2.gz XDOLRNFFIGKNCJ-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000365387465 275044714 /nfs/dbraw/zinc/04/47/14/275044714.db2.gz CVFRKNSIACEDEF-UHFFFAOYSA-N 2 2 325.840 1.394 20 0 EDADLP C(C1CCC2(CC1)OCCO2)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000190202963 275389715 /nfs/dbraw/zinc/38/97/15/275389715.db2.gz QPTOQQPSMDTKLW-GOSISDBHSA-N 2 2 338.492 1.964 20 0 EDADLP C(C1CCC2(CC1)OCCO2)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000190202963 275389716 /nfs/dbraw/zinc/38/97/16/275389716.db2.gz QPTOQQPSMDTKLW-GOSISDBHSA-N 2 2 338.492 1.964 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]([NH2+]C)c3cnn(C)c3)sc2C1 ZINC000262350446 276237199 /nfs/dbraw/zinc/23/71/99/276237199.db2.gz JAQZXLDUGHELEM-ZDUSSCGKSA-N 2 2 334.449 1.154 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H]([NH2+]C)c3cnn(C)c3)sc2C1 ZINC000262350446 276237200 /nfs/dbraw/zinc/23/72/00/276237200.db2.gz JAQZXLDUGHELEM-ZDUSSCGKSA-N 2 2 334.449 1.154 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)CC1 ZINC000353423811 276885870 /nfs/dbraw/zinc/88/58/70/276885870.db2.gz FKIFTLUQNNTZKL-RBUKOAKNSA-N 3 2 348.535 1.297 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000369274513 277028833 /nfs/dbraw/zinc/02/88/33/277028833.db2.gz PUZLAJCWYHVZOK-YJBOKZPZSA-N 2 2 329.444 1.275 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000369274513 277028834 /nfs/dbraw/zinc/02/88/34/277028834.db2.gz PUZLAJCWYHVZOK-YJBOKZPZSA-N 2 2 329.444 1.275 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[NH+]1CCOCC1 ZINC000342695164 278604625 /nfs/dbraw/zinc/60/46/25/278604625.db2.gz OWXBGRUCPQEFCC-HUUCEWRRSA-N 2 2 347.450 1.484 20 0 EDADLP C[NH+]1CCN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1Cc1ccccc1 ZINC000286754750 288078745 /nfs/dbraw/zinc/07/87/45/288078745.db2.gz OVYJQBYNYPPJKX-QGZVFWFLSA-N 2 2 337.471 1.828 20 0 EDADLP C[NH+]1CCN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1Cc1ccccc1 ZINC000286754750 288078748 /nfs/dbraw/zinc/07/87/48/288078748.db2.gz OVYJQBYNYPPJKX-QGZVFWFLSA-N 2 2 337.471 1.828 20 0 EDADLP C[NH+]1CCc2ncnc(N3CC[N@H+](C)[C@H](Cc4ccccc4)C3)c2C1 ZINC000286754750 288078751 /nfs/dbraw/zinc/07/87/51/288078751.db2.gz OVYJQBYNYPPJKX-QGZVFWFLSA-N 2 2 337.471 1.828 20 0 EDADLP C[NH+]1CCc2ncnc(N3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)c2C1 ZINC000286754750 288078752 /nfs/dbraw/zinc/07/87/52/288078752.db2.gz OVYJQBYNYPPJKX-QGZVFWFLSA-N 2 2 337.471 1.828 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2cn3c(cccc3C)[nH+]2)[N@H+](C)C1 ZINC000286823352 288097058 /nfs/dbraw/zinc/09/70/58/288097058.db2.gz LMUQAZTYVZQLEE-HOTGVXAUSA-N 2 2 345.447 1.503 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2cn3c(cccc3C)[nH+]2)[N@@H+](C)C1 ZINC000286823352 288097059 /nfs/dbraw/zinc/09/70/59/288097059.db2.gz LMUQAZTYVZQLEE-HOTGVXAUSA-N 2 2 345.447 1.503 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000286875943 288110080 /nfs/dbraw/zinc/11/00/80/288110080.db2.gz CKNOIUWRZMOGCY-MRXNPFEDSA-N 2 2 338.427 1.060 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000111611194 279227356 /nfs/dbraw/zinc/22/73/56/279227356.db2.gz POTVVSQLUSYPRL-YESZJQIVSA-N 2 2 345.487 1.659 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000111611194 279227357 /nfs/dbraw/zinc/22/73/57/279227357.db2.gz POTVVSQLUSYPRL-YESZJQIVSA-N 2 2 345.487 1.659 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364697670 279342017 /nfs/dbraw/zinc/34/20/17/279342017.db2.gz OXZPXNHOLAXTEY-XYJFISCASA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364697670 279342019 /nfs/dbraw/zinc/34/20/19/279342019.db2.gz OXZPXNHOLAXTEY-XYJFISCASA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000364697670 279342021 /nfs/dbraw/zinc/34/20/21/279342021.db2.gz OXZPXNHOLAXTEY-XYJFISCASA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000364697670 279342023 /nfs/dbraw/zinc/34/20/23/279342023.db2.gz OXZPXNHOLAXTEY-XYJFISCASA-N 2 2 349.523 1.990 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000422791138 279369016 /nfs/dbraw/zinc/36/90/16/279369016.db2.gz VNHRHKLPFMYQGC-CEXWTWQISA-N 2 2 346.519 1.554 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000330267477 279378527 /nfs/dbraw/zinc/37/85/27/279378527.db2.gz ICXKWCODHSMYJA-CRAIPNDOSA-N 2 2 346.475 1.564 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000330267477 279378528 /nfs/dbraw/zinc/37/85/28/279378528.db2.gz ICXKWCODHSMYJA-CRAIPNDOSA-N 2 2 346.475 1.564 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)CCN1C ZINC000333342751 279379495 /nfs/dbraw/zinc/37/94/95/279379495.db2.gz YNFJUVROFDVGCK-HZPDHXFCSA-N 2 2 333.480 1.533 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@](F)(CO)C1)c1ccccc1 ZINC000287171627 288171927 /nfs/dbraw/zinc/17/19/27/288171927.db2.gz ZQJBKXAGJRTIMF-AEFFLSMTSA-N 2 2 337.439 1.202 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000332552214 280109638 /nfs/dbraw/zinc/10/96/38/280109638.db2.gz KISWSZPUPRUUEF-STQMWFEESA-N 2 2 330.432 1.122 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000332552214 280109639 /nfs/dbraw/zinc/10/96/39/280109639.db2.gz KISWSZPUPRUUEF-STQMWFEESA-N 2 2 330.432 1.122 20 0 EDADLP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000332552214 280109641 /nfs/dbraw/zinc/10/96/41/280109641.db2.gz KISWSZPUPRUUEF-STQMWFEESA-N 2 2 330.432 1.122 20 0 EDADLP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000332552214 280109642 /nfs/dbraw/zinc/10/96/42/280109642.db2.gz KISWSZPUPRUUEF-STQMWFEESA-N 2 2 330.432 1.122 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000345531073 280206116 /nfs/dbraw/zinc/20/61/16/280206116.db2.gz YLRJAZMGLAROBV-MRXNPFEDSA-N 2 2 342.443 1.709 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000287369562 288222279 /nfs/dbraw/zinc/22/22/79/288222279.db2.gz XCUKMVFNOCXACH-ZBFHGGJFSA-N 2 2 325.416 1.966 20 0 EDADLP CC[C@H](C)[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000287579122 288269930 /nfs/dbraw/zinc/26/99/30/288269930.db2.gz XUFGESPKLANTTI-HNNXBMFYSA-N 2 2 339.505 1.485 20 0 EDADLP CC[C@H](C)[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000287579122 288269931 /nfs/dbraw/zinc/26/99/31/288269931.db2.gz XUFGESPKLANTTI-HNNXBMFYSA-N 2 2 339.505 1.485 20 0 EDADLP CC1(C)C[N@@H+]([C@@H](CNC(=O)C[NH3+])c2ccc(Cl)cc2)CCO1 ZINC000236641366 281260832 /nfs/dbraw/zinc/26/08/32/281260832.db2.gz XEJFRMBSTYJRPL-AWEZNQCLSA-N 2 2 325.840 1.567 20 0 EDADLP CC1(C)C[N@H+]([C@@H](CNC(=O)C[NH3+])c2ccc(Cl)cc2)CCO1 ZINC000236641366 281260834 /nfs/dbraw/zinc/26/08/34/281260834.db2.gz XEJFRMBSTYJRPL-AWEZNQCLSA-N 2 2 325.840 1.567 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000288074098 288397464 /nfs/dbraw/zinc/39/74/64/288397464.db2.gz GQFLTJCHMLRYIQ-ZDUSSCGKSA-N 2 2 342.399 1.879 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000290047239 288828564 /nfs/dbraw/zinc/82/85/64/288828564.db2.gz VBCBJEKETHKELE-NXHRZFHOSA-N 2 2 331.460 1.564 20 0 EDADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CCC[N@@H+]1C ZINC000340349750 289060521 /nfs/dbraw/zinc/06/05/21/289060521.db2.gz AFPAYXIKZXSEBT-JLZZUVOBSA-N 2 2 337.489 1.784 20 0 EDADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CCC[N@H+]1C ZINC000340349750 289060524 /nfs/dbraw/zinc/06/05/24/289060524.db2.gz AFPAYXIKZXSEBT-JLZZUVOBSA-N 2 2 337.489 1.784 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000417653404 289358900 /nfs/dbraw/zinc/35/89/00/289358900.db2.gz BDWGKPRGDFRHCZ-BYCMXARLSA-N 2 2 340.418 1.994 20 0 EDADLP COC[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)C1CC1 ZINC000345293882 293159118 /nfs/dbraw/zinc/15/91/18/293159118.db2.gz BROWZKZYCQYGQP-VKJFTORMSA-N 2 2 332.448 1.629 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CCC1 ZINC000342131529 295208977 /nfs/dbraw/zinc/20/89/77/295208977.db2.gz ICCIHIOORGRGJS-UHFFFAOYSA-N 2 2 334.464 1.252 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418520226 304507636 /nfs/dbraw/zinc/50/76/36/304507636.db2.gz CRAMDFYJEFOETO-UHFFFAOYSA-N 2 2 328.363 1.537 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000358916287 301201496 /nfs/dbraw/zinc/20/14/96/301201496.db2.gz RVNJVOMYENMYEF-UONOGXRCSA-N 2 2 336.461 1.887 20 0 EDADLP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000420313464 304749215 /nfs/dbraw/zinc/74/92/15/304749215.db2.gz TZNOAHLSUKDWJX-UHFFFAOYSA-N 2 2 338.839 1.208 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000420372506 304752550 /nfs/dbraw/zinc/75/25/50/304752550.db2.gz XZCLYAYNONUPDX-NSHDSACASA-N 2 2 341.253 1.760 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000420373161 304752701 /nfs/dbraw/zinc/75/27/01/304752701.db2.gz QWEORVVWDWTRIE-RVKKMQEKSA-N 2 2 325.497 1.818 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000364849038 302021170 /nfs/dbraw/zinc/02/11/70/302021170.db2.gz DUAJRGTTZCSXET-AEFFLSMTSA-N 2 2 335.423 1.186 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2)CC1 ZINC000174760067 302953846 /nfs/dbraw/zinc/95/38/46/302953846.db2.gz ARCIQGDFMVPVRB-UHFFFAOYSA-N 2 2 327.432 1.130 20 0 EDADLP CS[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000296042698 303291156 /nfs/dbraw/zinc/29/11/56/303291156.db2.gz APZOMTJJZOGVKK-HNNXBMFYSA-N 2 2 334.489 1.558 20 0 EDADLP CS[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000296042698 303291157 /nfs/dbraw/zinc/29/11/57/303291157.db2.gz APZOMTJJZOGVKK-HNNXBMFYSA-N 2 2 334.489 1.558 20 0 EDADLP COC[C@H](O)C[NH+]1CCC(Nc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301901558 303702166 /nfs/dbraw/zinc/70/21/66/303702166.db2.gz NNLFKPYTMDQZOA-CYBMUJFWSA-N 2 2 331.420 1.096 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2=O)c(OC)c1 ZINC000423109660 304886728 /nfs/dbraw/zinc/88/67/28/304886728.db2.gz NZCINYBWPOBARE-RRQGHBQHSA-N 2 2 347.459 1.535 20 0 EDADLP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CSC[NH2+]3)c2)CC1 ZINC000423835797 304911506 /nfs/dbraw/zinc/91/15/06/304911506.db2.gz DVMFNQUFKYBRKA-MRXNPFEDSA-N 2 2 334.489 1.818 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)[C@H](C)[NH3+] ZINC000423913817 304915594 /nfs/dbraw/zinc/91/55/94/304915594.db2.gz KMUOEKDPNWWWIG-RZLSGREXSA-N 2 2 339.459 1.068 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(=O)[nH]n1 ZINC000428222590 305008395 /nfs/dbraw/zinc/00/83/95/305008395.db2.gz NKOVVKSTKNAMDF-AWEZNQCLSA-N 2 2 328.416 1.865 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(CC(=O)NC)no1 ZINC000429238188 305026382 /nfs/dbraw/zinc/02/63/82/305026382.db2.gz QDDQEOAAWHWPCW-UHFFFAOYSA-N 2 2 334.424 1.029 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(CC(=O)NC)no1 ZINC000429238188 305026383 /nfs/dbraw/zinc/02/63/83/305026383.db2.gz QDDQEOAAWHWPCW-UHFFFAOYSA-N 2 2 334.424 1.029 20 0 EDADLP CO[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000430426514 305053092 /nfs/dbraw/zinc/05/30/92/305053092.db2.gz QREGZMBSFPTXFX-SJORKVTESA-N 2 2 328.416 1.049 20 0 EDADLP COC[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000430536438 305055640 /nfs/dbraw/zinc/05/56/40/305055640.db2.gz DBMLNGYGHBSWQE-AEFFLSMTSA-N 2 2 342.443 1.296 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1OC ZINC000430589237 305057382 /nfs/dbraw/zinc/05/73/82/305057382.db2.gz DBSLZYOECCIQEJ-DJJJIMSYSA-N 2 2 349.475 1.988 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1 ZINC000430589617 305057633 /nfs/dbraw/zinc/05/76/33/305057633.db2.gz IQNUBNOHKYRHDE-IBGZPJMESA-N 2 2 333.476 1.850 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430618407 305059469 /nfs/dbraw/zinc/05/94/69/305059469.db2.gz UBAGCWGQZBHUSJ-ROUUACIJSA-N 2 2 344.503 1.561 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430618407 305059470 /nfs/dbraw/zinc/05/94/70/305059470.db2.gz UBAGCWGQZBHUSJ-ROUUACIJSA-N 2 2 344.503 1.561 20 0 EDADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000430638641 305060800 /nfs/dbraw/zinc/06/08/00/305060800.db2.gz CVQQJBINKCEIMF-SNVBAGLBSA-N 2 2 330.201 1.950 20 0 EDADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000430638641 305060801 /nfs/dbraw/zinc/06/08/01/305060801.db2.gz CVQQJBINKCEIMF-SNVBAGLBSA-N 2 2 330.201 1.950 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000430645152 305061088 /nfs/dbraw/zinc/06/10/88/305061088.db2.gz ZLTWPTIBZGPSIO-SNVBAGLBSA-N 2 2 327.331 1.617 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000430645152 305061089 /nfs/dbraw/zinc/06/10/89/305061089.db2.gz ZLTWPTIBZGPSIO-SNVBAGLBSA-N 2 2 327.331 1.617 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000430659782 305061699 /nfs/dbraw/zinc/06/16/99/305061699.db2.gz BUKGEPVKPIDDIC-KGLIPLIRSA-N 2 2 335.448 1.962 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000430659782 305061700 /nfs/dbraw/zinc/06/17/00/305061700.db2.gz BUKGEPVKPIDDIC-KGLIPLIRSA-N 2 2 335.448 1.962 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000430739427 305063727 /nfs/dbraw/zinc/06/37/27/305063727.db2.gz DKRYEBDOIFUBMQ-MRXNPFEDSA-N 2 2 339.867 1.846 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430924106 305068540 /nfs/dbraw/zinc/06/85/40/305068540.db2.gz HJDCZDMKQFQAKC-FZMZJTMJSA-N 2 2 325.840 1.634 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430924106 305068541 /nfs/dbraw/zinc/06/85/41/305068541.db2.gz HJDCZDMKQFQAKC-FZMZJTMJSA-N 2 2 325.840 1.634 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000430924068 305068561 /nfs/dbraw/zinc/06/85/61/305068561.db2.gz HVIRTTKFOXWSDW-GFCCVEGCSA-N 2 2 327.831 1.979 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C1 ZINC000430924068 305068562 /nfs/dbraw/zinc/06/85/62/305068562.db2.gz HVIRTTKFOXWSDW-GFCCVEGCSA-N 2 2 327.831 1.979 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000430931519 305068800 /nfs/dbraw/zinc/06/88/00/305068800.db2.gz WNIQEZJPBQVPNX-HKUYNNGSSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000430931519 305068801 /nfs/dbraw/zinc/06/88/01/305068801.db2.gz WNIQEZJPBQVPNX-HKUYNNGSSA-N 3 2 344.503 1.308 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C1 ZINC000430931029 305068853 /nfs/dbraw/zinc/06/88/53/305068853.db2.gz CCBGIDXKYDCTDK-TZMCWYRMSA-N 2 2 348.447 1.522 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C1 ZINC000430931029 305068854 /nfs/dbraw/zinc/06/88/54/305068854.db2.gz CCBGIDXKYDCTDK-TZMCWYRMSA-N 2 2 348.447 1.522 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000430934301 305069097 /nfs/dbraw/zinc/06/90/97/305069097.db2.gz OOBINHFZQLTTPM-MRXNPFEDSA-N 2 2 341.459 1.089 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000430934301 305069098 /nfs/dbraw/zinc/06/90/98/305069098.db2.gz OOBINHFZQLTTPM-MRXNPFEDSA-N 2 2 341.459 1.089 20 0 EDADLP C[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@@H](C)[NH2+]1 ZINC000430941541 305069683 /nfs/dbraw/zinc/06/96/83/305069683.db2.gz XAUGUOXZFXSTOD-CHWSQXEVSA-N 2 2 337.493 1.360 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@H]1[NH3+] ZINC000430945772 305069914 /nfs/dbraw/zinc/06/99/14/305069914.db2.gz SRJSVHLDSQJXGL-CZUORRHYSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@H]1[NH3+] ZINC000430945772 305069915 /nfs/dbraw/zinc/06/99/15/305069915.db2.gz SRJSVHLDSQJXGL-CZUORRHYSA-N 2 2 330.432 1.421 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000430949816 305070147 /nfs/dbraw/zinc/07/01/47/305070147.db2.gz OUSZENBVTISWLK-PGBRGIIUSA-N 2 2 348.491 1.322 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000430949816 305070148 /nfs/dbraw/zinc/07/01/48/305070148.db2.gz OUSZENBVTISWLK-PGBRGIIUSA-N 2 2 348.491 1.322 20 0 EDADLP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430948748 305070228 /nfs/dbraw/zinc/07/02/28/305070228.db2.gz LDEWISFDHVJKGJ-CKEIUWERSA-N 2 2 344.459 1.810 20 0 EDADLP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430948748 305070229 /nfs/dbraw/zinc/07/02/29/305070229.db2.gz LDEWISFDHVJKGJ-CKEIUWERSA-N 2 2 344.459 1.810 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430950621 305070343 /nfs/dbraw/zinc/07/03/43/305070343.db2.gz IIHYGDJAJGERBE-HIFRSBDPSA-N 2 2 335.448 1.250 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430950621 305070344 /nfs/dbraw/zinc/07/03/44/305070344.db2.gz IIHYGDJAJGERBE-HIFRSBDPSA-N 2 2 335.448 1.250 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@H]1[NH3+] ZINC000430964378 305071472 /nfs/dbraw/zinc/07/14/72/305071472.db2.gz DUGLCGIIVPATHS-XJKSGUPXSA-N 2 2 326.444 1.722 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@H]1[NH3+] ZINC000430964378 305071473 /nfs/dbraw/zinc/07/14/73/305071473.db2.gz DUGLCGIIVPATHS-XJKSGUPXSA-N 2 2 326.444 1.722 20 0 EDADLP CC(C)([NH3+])c1noc(CN(CC[NH+]2CCOCC2)c2ccccc2)n1 ZINC000431089314 305074821 /nfs/dbraw/zinc/07/48/21/305074821.db2.gz ZBJAARZYPKAJLJ-UHFFFAOYSA-N 2 2 345.447 1.602 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)no1 ZINC000431130314 305075815 /nfs/dbraw/zinc/07/58/15/305075815.db2.gz ULSPUOYQUYJPTE-CYBMUJFWSA-N 2 2 343.431 1.899 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000432904777 305097535 /nfs/dbraw/zinc/09/75/35/305097535.db2.gz YWEZERTUMDYJOA-ZBFHGGJFSA-N 2 2 337.468 1.671 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCSC(C)(C)CC2)CC1 ZINC000434287656 305119713 /nfs/dbraw/zinc/11/97/13/305119713.db2.gz LFKLPJNXFMAHPC-UHFFFAOYSA-N 2 2 342.553 1.940 20 0 EDADLP O=C(CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)NC(=O)NCc1ccccc1 ZINC000435235850 305137500 /nfs/dbraw/zinc/13/75/00/305137500.db2.gz GECZMEVCPOCENM-MRXNPFEDSA-N 2 2 330.432 1.229 20 0 EDADLP O=C(CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)NC(=O)NCc1ccccc1 ZINC000435235850 305137501 /nfs/dbraw/zinc/13/75/01/305137501.db2.gz GECZMEVCPOCENM-MRXNPFEDSA-N 2 2 330.432 1.229 20 0 EDADLP CCc1nc(CN(Cc2[nH+]ccn2CC)[C@H]2CC23CC[NH2+]CC3)no1 ZINC000435682329 305145243 /nfs/dbraw/zinc/14/52/43/305145243.db2.gz MBKJNBBGIOXIOB-AWEZNQCLSA-N 2 2 344.463 1.993 20 0 EDADLP CC[C@@H](C)NC(=O)CN(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693044 305145582 /nfs/dbraw/zinc/14/55/82/305145582.db2.gz IGEFOIIGSFTNLC-HZPDHXFCSA-N 2 2 347.507 1.762 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000442261879 305227592 /nfs/dbraw/zinc/22/75/92/305227592.db2.gz GFAVLGQBWKIGGA-KGLIPLIRSA-N 2 2 341.415 1.362 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000442261879 305227593 /nfs/dbraw/zinc/22/75/93/305227593.db2.gz GFAVLGQBWKIGGA-KGLIPLIRSA-N 2 2 341.415 1.362 20 0 EDADLP CC[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1[nH]cc[nH+]1 ZINC000442801343 305229710 /nfs/dbraw/zinc/22/97/10/305229710.db2.gz OKMQHHDNYKIITI-HNNXBMFYSA-N 2 2 342.447 1.584 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)[C@H](C)O1 ZINC000446077017 305260657 /nfs/dbraw/zinc/26/06/57/305260657.db2.gz DEXGJKMVTUNDAQ-IKGGRYGDSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)[C@H](C)O1 ZINC000446077017 305260658 /nfs/dbraw/zinc/26/06/58/305260658.db2.gz DEXGJKMVTUNDAQ-IKGGRYGDSA-N 2 2 346.475 1.618 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449357901 305312559 /nfs/dbraw/zinc/31/25/59/305312559.db2.gz DWBZFXAPSGASKO-FQEVSTJZSA-N 3 2 344.503 1.060 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000450596195 305330257 /nfs/dbraw/zinc/33/02/57/305330257.db2.gz NEQSEDOOSMFRCL-JKSUJKDBSA-N 2 2 349.479 1.087 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000450596195 305330258 /nfs/dbraw/zinc/33/02/58/305330258.db2.gz NEQSEDOOSMFRCL-JKSUJKDBSA-N 2 2 349.479 1.087 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000452576766 305401077 /nfs/dbraw/zinc/40/10/77/305401077.db2.gz UZTYPZNHIUJTSG-UHFFFAOYSA-N 2 2 341.459 1.337 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000522002623 305797208 /nfs/dbraw/zinc/79/72/08/305797208.db2.gz XWHHGMNDWSEJGK-GOEBONIOSA-N 2 2 333.480 1.360 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000531753655 305965800 /nfs/dbraw/zinc/96/58/00/305965800.db2.gz LGGPHCOOCVSRQE-IRXDYDNUSA-N 2 2 349.479 1.340 20 0 EDADLP Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000535316270 306012916 /nfs/dbraw/zinc/01/29/16/306012916.db2.gz WIBKWEVNFODWBC-HNNXBMFYSA-N 2 2 330.407 1.973 20 0 EDADLP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000535316270 306012917 /nfs/dbraw/zinc/01/29/17/306012917.db2.gz WIBKWEVNFODWBC-HNNXBMFYSA-N 2 2 330.407 1.973 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1nccn1C ZINC000540406330 306039537 /nfs/dbraw/zinc/03/95/37/306039537.db2.gz POTMOBVYONEQFL-OAHLLOKOSA-N 2 2 341.459 1.659 20 0 EDADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548666063 306133946 /nfs/dbraw/zinc/13/39/46/306133946.db2.gz YCBGZLQKAZIXTQ-ZDUSSCGKSA-N 2 2 333.436 1.245 20 0 EDADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548666063 306133947 /nfs/dbraw/zinc/13/39/47/306133947.db2.gz YCBGZLQKAZIXTQ-ZDUSSCGKSA-N 2 2 333.436 1.245 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000552804471 306181415 /nfs/dbraw/zinc/18/14/15/306181415.db2.gz GKTBDZWUMSVMNH-UHFFFAOYSA-N 2 2 333.476 1.631 20 0 EDADLP [NH3+]C1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000557136042 306224783 /nfs/dbraw/zinc/22/47/83/306224783.db2.gz WRINIJHSWOGPNE-KRWDZBQOSA-N 2 2 332.448 1.020 20 0 EDADLP [NH3+]C1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000557136042 306224784 /nfs/dbraw/zinc/22/47/84/306224784.db2.gz WRINIJHSWOGPNE-KRWDZBQOSA-N 2 2 332.448 1.020 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH+]1CCOCC1 ZINC000557481395 306228215 /nfs/dbraw/zinc/22/82/15/306228215.db2.gz MJDLUMTUEVJMMK-SJLPKXTDSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)[NH+]1CC(C)C1 ZINC000557563258 306229312 /nfs/dbraw/zinc/22/93/12/306229312.db2.gz KIQVVUPKZFVXHS-PBHICJAKSA-N 2 2 344.459 1.415 20 0 EDADLP C[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)[NH+]1CC(C)C1 ZINC000557563258 306229313 /nfs/dbraw/zinc/22/93/13/306229313.db2.gz KIQVVUPKZFVXHS-PBHICJAKSA-N 2 2 344.459 1.415 20 0 EDADLP CC[N@H+](CCNC(=O)N1CC[NH+](C2CC2)CC1)CCC(F)(F)F ZINC000426009598 447378151 /nfs/dbraw/zinc/37/81/51/447378151.db2.gz GXHAGYCAZSYIJZ-UHFFFAOYSA-N 2 2 336.402 1.750 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CC[NH+](C2CC2)CC1)CCC(F)(F)F ZINC000426009598 447378159 /nfs/dbraw/zinc/37/81/59/447378159.db2.gz GXHAGYCAZSYIJZ-UHFFFAOYSA-N 2 2 336.402 1.750 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CCO1 ZINC000426063726 447384581 /nfs/dbraw/zinc/38/45/81/447384581.db2.gz UXOLYVSNTKNZLB-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CCO1 ZINC000426063726 447384586 /nfs/dbraw/zinc/38/45/86/447384586.db2.gz UXOLYVSNTKNZLB-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCO1 ZINC000426063726 447384591 /nfs/dbraw/zinc/38/45/91/447384591.db2.gz UXOLYVSNTKNZLB-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CCO1 ZINC000426063726 447384598 /nfs/dbraw/zinc/38/45/98/447384598.db2.gz UXOLYVSNTKNZLB-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](CCO)CC2)CC1 ZINC000422176508 447387593 /nfs/dbraw/zinc/38/75/93/447387593.db2.gz IAHIBCLPFAOKPW-INIZCTEOSA-N 2 2 340.512 1.207 20 0 EDADLP CC[C@H]1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000422178486 447388948 /nfs/dbraw/zinc/38/89/48/447388948.db2.gz JODMUZGYEZGKAO-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665356470 453664605 /nfs/dbraw/zinc/66/46/05/453664605.db2.gz QHBXBOGCNDDCBG-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665356470 453664607 /nfs/dbraw/zinc/66/46/07/453664607.db2.gz QHBXBOGCNDDCBG-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1cc(F)cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657093101 453675985 /nfs/dbraw/zinc/67/59/85/453675985.db2.gz YMVWWMRNRJPOHP-UHFFFAOYSA-N 2 2 331.457 1.296 20 0 EDADLP Cc1cc(F)cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000657093101 453675988 /nfs/dbraw/zinc/67/59/88/453675988.db2.gz YMVWWMRNRJPOHP-UHFFFAOYSA-N 2 2 331.457 1.296 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C=Cc3c[nH]c[nH+]3)c2)CCO1 ZINC000493813819 447401327 /nfs/dbraw/zinc/40/13/27/447401327.db2.gz NWTMTVCNTXDOAL-IYKSTZQJSA-N 2 2 340.427 1.960 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C=Cc3c[nH]c[nH+]3)c2)CCO1 ZINC000493813819 447401329 /nfs/dbraw/zinc/40/13/29/447401329.db2.gz NWTMTVCNTXDOAL-IYKSTZQJSA-N 2 2 340.427 1.960 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2c(Cl)nc3sccn23)[C@H](C[NH3+])C1 ZINC000493835991 447406221 /nfs/dbraw/zinc/40/62/21/447406221.db2.gz LBOPZJQEYSGJJQ-MXQLGCADSA-N 2 2 339.852 1.164 20 0 EDADLP Cc1c(Br)cncc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657334094 453767568 /nfs/dbraw/zinc/76/75/68/453767568.db2.gz LZJOOVPXSSHUST-UHFFFAOYSA-N 2 2 341.253 1.016 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057172223 441095692 /nfs/dbraw/zinc/09/56/92/441095692.db2.gz JFUPGRZUNLDMPH-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057172223 441095696 /nfs/dbraw/zinc/09/56/96/441095696.db2.gz JFUPGRZUNLDMPH-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP CN(C)C(=O)CN1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101544376 441157021 /nfs/dbraw/zinc/15/70/21/441157021.db2.gz SEYXCAWJTRMYIK-UHFFFAOYSA-N 2 2 341.459 1.468 20 0 EDADLP CN(C)C(=O)CN1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101544376 441157026 /nfs/dbraw/zinc/15/70/26/441157026.db2.gz SEYXCAWJTRMYIK-UHFFFAOYSA-N 2 2 341.459 1.468 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000071952722 441200266 /nfs/dbraw/zinc/20/02/66/441200266.db2.gz RHYBSMZDAYNDSY-UHFFFAOYSA-N 2 2 349.479 1.020 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCOc1ccccc1 ZINC000080959447 441212851 /nfs/dbraw/zinc/21/28/51/441212851.db2.gz VKEXFMMSRYGDGJ-OAHLLOKOSA-N 2 2 328.416 1.784 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCOc1ccccc1 ZINC000080959447 441212855 /nfs/dbraw/zinc/21/28/55/441212855.db2.gz VKEXFMMSRYGDGJ-OAHLLOKOSA-N 2 2 328.416 1.784 20 0 EDADLP C[N@H+](CCC(=O)N1CCOCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080986667 441218052 /nfs/dbraw/zinc/21/80/52/441218052.db2.gz SEGKRMDEDPUVJZ-UHFFFAOYSA-N 2 2 332.448 1.231 20 0 EDADLP C[N@@H+](CCC(=O)N1CCOCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080986667 441218056 /nfs/dbraw/zinc/21/80/56/441218056.db2.gz SEGKRMDEDPUVJZ-UHFFFAOYSA-N 2 2 332.448 1.231 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCCC[NH2+]C1CCCCC1)[NH+]1CCOCC1 ZINC000105300105 441249730 /nfs/dbraw/zinc/24/97/30/441249730.db2.gz KMPMHUMZTQTEPA-JKSUJKDBSA-N 2 2 340.512 1.707 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)C[C@@H](C)O1 ZINC000048016973 441250977 /nfs/dbraw/zinc/25/09/77/441250977.db2.gz UEYSSIVMDNSWDJ-HUUCEWRRSA-N 2 2 345.447 1.633 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000061635074 441281757 /nfs/dbraw/zinc/28/17/57/441281757.db2.gz PYHTXLNYAVQFPG-UHFFFAOYSA-N 2 2 326.404 1.742 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000081584810 441293584 /nfs/dbraw/zinc/29/35/84/441293584.db2.gz HJKNGOVFGLUMNQ-MRXNPFEDSA-N 2 2 339.505 1.629 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000081584810 441293589 /nfs/dbraw/zinc/29/35/89/441293589.db2.gz HJKNGOVFGLUMNQ-MRXNPFEDSA-N 2 2 339.505 1.629 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000081584810 441293595 /nfs/dbraw/zinc/29/35/95/441293595.db2.gz HJKNGOVFGLUMNQ-MRXNPFEDSA-N 2 2 339.505 1.629 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000081584810 441293598 /nfs/dbraw/zinc/29/35/98/441293598.db2.gz HJKNGOVFGLUMNQ-MRXNPFEDSA-N 2 2 339.505 1.629 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000073572230 441326914 /nfs/dbraw/zinc/32/69/14/441326914.db2.gz QZUFMHLAXCEQPO-IYBDPMFKSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000073572230 441326917 /nfs/dbraw/zinc/32/69/17/441326917.db2.gz QZUFMHLAXCEQPO-IYBDPMFKSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)Cn1cc[nH+]c1 ZINC000081799568 441314357 /nfs/dbraw/zinc/31/43/57/441314357.db2.gz VKNLFMUHFSJNGA-MRXNPFEDSA-N 2 2 344.463 1.632 20 0 EDADLP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccco1 ZINC000064508634 441381901 /nfs/dbraw/zinc/38/19/01/441381901.db2.gz QNVBKTPPFBZDRL-UHFFFAOYSA-N 2 2 335.448 1.471 20 0 EDADLP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccco1 ZINC000064508634 441381904 /nfs/dbraw/zinc/38/19/04/441381904.db2.gz QNVBKTPPFBZDRL-UHFFFAOYSA-N 2 2 335.448 1.471 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000073749220 441350075 /nfs/dbraw/zinc/35/00/75/441350075.db2.gz BZOFBLZEHGNEFN-ZACQAIPSSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000073749220 441350079 /nfs/dbraw/zinc/35/00/79/441350079.db2.gz BZOFBLZEHGNEFN-ZACQAIPSSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCC(=O)c1ccccc1 ZINC000083206519 441355440 /nfs/dbraw/zinc/35/54/40/441355440.db2.gz AZRWDKHQEBWHID-OAHLLOKOSA-N 2 2 326.400 1.588 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCC(=O)c1ccccc1 ZINC000083206519 441355442 /nfs/dbraw/zinc/35/54/42/441355442.db2.gz AZRWDKHQEBWHID-OAHLLOKOSA-N 2 2 326.400 1.588 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000107281173 441406439 /nfs/dbraw/zinc/40/64/39/441406439.db2.gz PZVAVLZUVFZUFY-QGZVFWFLSA-N 2 2 333.480 1.292 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000107281173 441406443 /nfs/dbraw/zinc/40/64/43/441406443.db2.gz PZVAVLZUVFZUFY-QGZVFWFLSA-N 2 2 333.480 1.292 20 0 EDADLP C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000085361796 441433636 /nfs/dbraw/zinc/43/36/36/441433636.db2.gz NQMVEELXGOFJAK-KKUMJFAQSA-N 2 2 328.501 1.371 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000085402273 441437058 /nfs/dbraw/zinc/43/70/58/441437058.db2.gz PLPZHXJNIAVVCG-NEPJUHHUSA-N 2 2 347.385 1.927 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000085402273 441437064 /nfs/dbraw/zinc/43/70/64/441437064.db2.gz PLPZHXJNIAVVCG-NEPJUHHUSA-N 2 2 347.385 1.927 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000074157308 441400421 /nfs/dbraw/zinc/40/04/21/441400421.db2.gz UJAKKASWNTYBTD-KRWDZBQOSA-N 2 2 337.508 1.822 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCc3ccco3)CC2)CC1 ZINC000051239256 441405028 /nfs/dbraw/zinc/40/50/28/441405028.db2.gz LKNRMKCGHFZHHR-UHFFFAOYSA-N 2 2 334.464 1.680 20 0 EDADLP c1coc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000112505922 441549479 /nfs/dbraw/zinc/54/94/79/441549479.db2.gz GUWLZZKGWMFTNK-HNNXBMFYSA-N 2 2 343.431 1.665 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000054686715 441592212 /nfs/dbraw/zinc/59/22/12/441592212.db2.gz ZHOSHVNXFSCDDE-CYBMUJFWSA-N 2 2 333.461 1.691 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000054686715 441592227 /nfs/dbraw/zinc/59/22/27/441592227.db2.gz ZHOSHVNXFSCDDE-CYBMUJFWSA-N 2 2 333.461 1.691 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000076073217 441593751 /nfs/dbraw/zinc/59/37/51/441593751.db2.gz QBQZGQDGEUPIQW-OAHLLOKOSA-N 2 2 335.452 1.411 20 0 EDADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926640 441596490 /nfs/dbraw/zinc/59/64/90/441596490.db2.gz VZRVCOAMTKTIPX-MRXNPFEDSA-N 2 2 341.459 1.555 20 0 EDADLP CC(C)(CNC(=O)C[NH+]1CCC2(CCCC2)CC1)[NH+]1CCOCC1 ZINC000158438270 441737147 /nfs/dbraw/zinc/73/71/47/441737147.db2.gz DNOBDOKLULRRFS-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000092664785 441818222 /nfs/dbraw/zinc/81/82/22/441818222.db2.gz CFXBJTUQRCWXKY-IAGOWNOFSA-N 2 2 342.491 1.720 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC[C@@H]21 ZINC000158895495 441770558 /nfs/dbraw/zinc/77/05/58/441770558.db2.gz LHUODWVHNGNJJO-XSLAGTTESA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC[C@@H]21 ZINC000158895495 441770565 /nfs/dbraw/zinc/77/05/65/441770565.db2.gz LHUODWVHNGNJJO-XSLAGTTESA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC[C@@H]21 ZINC000158895495 441770572 /nfs/dbraw/zinc/77/05/72/441770572.db2.gz LHUODWVHNGNJJO-XSLAGTTESA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC[C@@H]21 ZINC000158895495 441770577 /nfs/dbraw/zinc/77/05/77/441770577.db2.gz LHUODWVHNGNJJO-XSLAGTTESA-N 2 2 335.492 1.573 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(=O)OC ZINC000158878318 441770775 /nfs/dbraw/zinc/77/07/75/441770775.db2.gz RIUHCWWVZDHBBO-KLZNWCGWSA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(=O)OC ZINC000158878318 441770782 /nfs/dbraw/zinc/77/07/82/441770782.db2.gz RIUHCWWVZDHBBO-KLZNWCGWSA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)OC ZINC000158878318 441770789 /nfs/dbraw/zinc/77/07/89/441770789.db2.gz RIUHCWWVZDHBBO-KLZNWCGWSA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(=O)OC ZINC000158878318 441770796 /nfs/dbraw/zinc/77/07/96/441770796.db2.gz RIUHCWWVZDHBBO-KLZNWCGWSA-N 2 2 339.480 1.106 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000115796087 441779246 /nfs/dbraw/zinc/77/92/46/441779246.db2.gz BWIOJDHFZJNMSR-HNNXBMFYSA-N 2 2 342.447 1.751 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000115796087 441779252 /nfs/dbraw/zinc/77/92/52/441779252.db2.gz BWIOJDHFZJNMSR-HNNXBMFYSA-N 2 2 342.447 1.751 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000159002076 441780579 /nfs/dbraw/zinc/78/05/79/441780579.db2.gz IPYNBJXKMGWJIW-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000159002076 441780585 /nfs/dbraw/zinc/78/05/85/441780585.db2.gz IPYNBJXKMGWJIW-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000139540157 441820392 /nfs/dbraw/zinc/82/03/92/441820392.db2.gz AWRJAMNNRAYIDU-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000139540157 441820399 /nfs/dbraw/zinc/82/03/99/441820399.db2.gz AWRJAMNNRAYIDU-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCc2cccc(OC)c2)CC1 ZINC000173641826 441812201 /nfs/dbraw/zinc/81/22/01/441812201.db2.gz KGBYEHIBAULXHM-HNNXBMFYSA-N 2 2 349.475 1.400 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068515251 441812325 /nfs/dbraw/zinc/81/23/25/441812325.db2.gz KGCQTYMDEGALDU-MRXNPFEDSA-N 2 2 333.476 1.979 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000173974024 441871777 /nfs/dbraw/zinc/87/17/77/441871777.db2.gz RVOFCIDQTZFEEE-HUUCEWRRSA-N 2 2 349.475 1.907 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000068598359 441829325 /nfs/dbraw/zinc/82/93/25/441829325.db2.gz ZPBDAHVNWCMELG-WMZOPIPTSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000068598359 441829330 /nfs/dbraw/zinc/82/93/30/441829330.db2.gz ZPBDAHVNWCMELG-WMZOPIPTSA-N 2 2 348.491 1.527 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000140455309 441839114 /nfs/dbraw/zinc/83/91/14/441839114.db2.gz DYVWTNIQUZHECU-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1)[NH+](C)C ZINC000122302357 441843355 /nfs/dbraw/zinc/84/33/55/441843355.db2.gz VIVFFPDJSNUYIU-SFHVURJKSA-N 2 2 349.475 1.688 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000093046343 441853463 /nfs/dbraw/zinc/85/34/63/441853463.db2.gz MOOBJZDJXTUPOD-UHFFFAOYSA-N 2 2 343.475 1.629 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000173882810 441855930 /nfs/dbraw/zinc/85/59/30/441855930.db2.gz OIVOOYBRCSDDBM-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000173882810 441855937 /nfs/dbraw/zinc/85/59/37/441855937.db2.gz OIVOOYBRCSDDBM-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000173882810 441855942 /nfs/dbraw/zinc/85/59/42/441855942.db2.gz OIVOOYBRCSDDBM-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(OC)cc2)C1 ZINC000173882810 441855946 /nfs/dbraw/zinc/85/59/46/441855946.db2.gz OIVOOYBRCSDDBM-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000118985496 441911939 /nfs/dbraw/zinc/91/19/39/441911939.db2.gz MDMKALGIBMGIKC-UHFFFAOYSA-N 2 2 346.475 1.817 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000118985496 441911946 /nfs/dbraw/zinc/91/19/46/441911946.db2.gz MDMKALGIBMGIKC-UHFFFAOYSA-N 2 2 346.475 1.817 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1O ZINC000093332222 441878222 /nfs/dbraw/zinc/87/82/22/441878222.db2.gz HCSMFSHHKKVEMX-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1O ZINC000093332222 441878224 /nfs/dbraw/zinc/87/82/24/441878224.db2.gz HCSMFSHHKKVEMX-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123202951 441880889 /nfs/dbraw/zinc/88/08/89/441880889.db2.gz PZDBMDNQLAZCQF-PBHICJAKSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[N@H+]1C ZINC000123202951 441880895 /nfs/dbraw/zinc/88/08/95/441880895.db2.gz PZDBMDNQLAZCQF-PBHICJAKSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123202951 441880903 /nfs/dbraw/zinc/88/09/03/441880903.db2.gz PZDBMDNQLAZCQF-PBHICJAKSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123202951 441880912 /nfs/dbraw/zinc/88/09/12/441880912.db2.gz PZDBMDNQLAZCQF-PBHICJAKSA-N 2 2 346.475 1.741 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000174479617 441928352 /nfs/dbraw/zinc/92/83/52/441928352.db2.gz HCFHJEJVRNQEQZ-UHFFFAOYSA-N 2 2 330.476 1.846 20 0 EDADLP c1cc(N2CCCC2)ncc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119520440 441939506 /nfs/dbraw/zinc/93/95/06/441939506.db2.gz BTNUQUVEPYXEGK-UHFFFAOYSA-N 2 2 343.519 1.895 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)cn1 ZINC000119637342 441944158 /nfs/dbraw/zinc/94/41/58/441944158.db2.gz CQFNBPKRNHCMDD-MRXNPFEDSA-N 2 2 328.420 1.449 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NCc1ccc2c(c1)OCO2 ZINC000150767771 441946414 /nfs/dbraw/zinc/94/64/14/441946414.db2.gz UWGQAQOQXIXWSG-MRXNPFEDSA-N 2 2 345.443 1.449 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NCc1ccc2c(c1)OCO2 ZINC000150767771 441946418 /nfs/dbraw/zinc/94/64/18/441946418.db2.gz UWGQAQOQXIXWSG-MRXNPFEDSA-N 2 2 345.443 1.449 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc[nH+]1 ZINC000174673670 441952076 /nfs/dbraw/zinc/95/20/76/441952076.db2.gz ZSGXIURDXOITMA-UHFFFAOYSA-N 2 2 326.400 1.878 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000069501650 441953497 /nfs/dbraw/zinc/95/34/97/441953497.db2.gz FAHDAQNBHHDNHF-MRXNPFEDSA-N 2 2 330.432 1.412 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000069501650 441953503 /nfs/dbraw/zinc/95/35/03/441953503.db2.gz FAHDAQNBHHDNHF-MRXNPFEDSA-N 2 2 330.432 1.412 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000174720345 441959053 /nfs/dbraw/zinc/95/90/53/441959053.db2.gz UTCZYPNHSWIINV-GOSISDBHSA-N 2 2 348.466 1.500 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150832946 441959456 /nfs/dbraw/zinc/95/94/56/441959456.db2.gz OHHCOUFBQMGPHF-IBGZPJMESA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150832946 441959463 /nfs/dbraw/zinc/95/94/63/441959463.db2.gz OHHCOUFBQMGPHF-IBGZPJMESA-N 2 2 345.487 1.867 20 0 EDADLP CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[N@H+](C)C1 ZINC000151083571 442003009 /nfs/dbraw/zinc/00/30/09/442003009.db2.gz WHJQFTDXTOWIJC-SFHVURJKSA-N 2 2 331.460 1.685 20 0 EDADLP CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000151083571 442003015 /nfs/dbraw/zinc/00/30/15/442003015.db2.gz WHJQFTDXTOWIJC-SFHVURJKSA-N 2 2 331.460 1.685 20 0 EDADLP CSCC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000151139378 442012843 /nfs/dbraw/zinc/01/28/43/442012843.db2.gz ZOJAJZIVDDPWAA-UHFFFAOYSA-N 2 2 337.489 1.752 20 0 EDADLP CSCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000151139378 442012847 /nfs/dbraw/zinc/01/28/47/442012847.db2.gz ZOJAJZIVDDPWAA-UHFFFAOYSA-N 2 2 337.489 1.752 20 0 EDADLP C[N@H+](CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000120298913 442045997 /nfs/dbraw/zinc/04/59/97/442045997.db2.gz APMQJZXCUTUUQO-OAHLLOKOSA-N 2 2 331.464 1.834 20 0 EDADLP C[N@@H+](CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000120298913 442045999 /nfs/dbraw/zinc/04/59/99/442045999.db2.gz APMQJZXCUTUUQO-OAHLLOKOSA-N 2 2 331.464 1.834 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000162257784 442078543 /nfs/dbraw/zinc/07/85/43/442078543.db2.gz KDOSNRXXUOQZKV-LLVKDONJSA-N 2 2 332.231 1.474 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000162257784 442078545 /nfs/dbraw/zinc/07/85/45/442078545.db2.gz KDOSNRXXUOQZKV-LLVKDONJSA-N 2 2 332.231 1.474 20 0 EDADLP CC(C)(CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000126386837 442106597 /nfs/dbraw/zinc/10/65/97/442106597.db2.gz RRQVRDUTCSTJJO-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP COC1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]CC1 ZINC000163635712 442177470 /nfs/dbraw/zinc/17/74/70/442177470.db2.gz JBMIVWYLMNHBNF-UHFFFAOYSA-N 2 2 333.432 1.226 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCc3nnc4ccccn43)c12 ZINC000163429316 442165395 /nfs/dbraw/zinc/16/53/95/442165395.db2.gz GNEQEXJEWHSYOS-UHFFFAOYSA-N 2 2 343.354 1.865 20 0 EDADLP C[N@@H+]1CCc2nc(NC(=O)CCCC[NH+]3CCOCC3)sc2C1 ZINC000170693323 442250126 /nfs/dbraw/zinc/25/01/26/442250126.db2.gz JXDAXJDMRLBFAD-UHFFFAOYSA-N 2 2 338.477 1.572 20 0 EDADLP C[N@H+]1CCc2nc(NC(=O)CCCC[NH+]3CCOCC3)sc2C1 ZINC000170693323 442250128 /nfs/dbraw/zinc/25/01/28/442250128.db2.gz JXDAXJDMRLBFAD-UHFFFAOYSA-N 2 2 338.477 1.572 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000128823893 442289956 /nfs/dbraw/zinc/28/99/56/442289956.db2.gz ANFOUJVHZCZOHU-INIZCTEOSA-N 2 2 346.475 1.525 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000177118368 442299906 /nfs/dbraw/zinc/29/99/06/442299906.db2.gz XYDFIWHNPRVDBJ-UHFFFAOYSA-N 2 2 328.460 1.853 20 0 EDADLP C[N@@H+]1CCCN(CCC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000128273276 442256766 /nfs/dbraw/zinc/25/67/66/442256766.db2.gz YIZQNNHINKFMJY-UHFFFAOYSA-N 3 2 345.535 1.663 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000128273276 442256770 /nfs/dbraw/zinc/25/67/70/442256770.db2.gz YIZQNNHINKFMJY-UHFFFAOYSA-N 3 2 345.535 1.663 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000177330061 442329023 /nfs/dbraw/zinc/32/90/23/442329023.db2.gz NZCPXMVOABJBIM-HOCLYGCPSA-N 2 2 331.464 1.670 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(OCc2nccn2C)cc1 ZINC000154285541 442330404 /nfs/dbraw/zinc/33/04/04/442330404.db2.gz LXAZSJXZBWUMGR-GDBMZVCRSA-N 2 2 332.448 1.572 20 0 EDADLP COC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000177476322 442346941 /nfs/dbraw/zinc/34/69/41/442346941.db2.gz KOEBHJDBJNKBBK-DNVCBOLYSA-N 2 2 345.443 1.899 20 0 EDADLP COC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000177476322 442346944 /nfs/dbraw/zinc/34/69/44/442346944.db2.gz KOEBHJDBJNKBBK-DNVCBOLYSA-N 2 2 345.443 1.899 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177491969 442349486 /nfs/dbraw/zinc/34/94/86/442349486.db2.gz HVHBRXULDNPCSM-AWEZNQCLSA-N 2 2 342.484 1.088 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000171133486 442317471 /nfs/dbraw/zinc/31/74/71/442317471.db2.gz LKQKGNSHCBDMNN-OAHLLOKOSA-N 2 2 343.475 1.351 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000154959990 442367544 /nfs/dbraw/zinc/36/75/44/442367544.db2.gz CYQCBKVWIIPBCN-GXTWGEPZSA-N 2 2 332.448 1.874 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCSCC1 ZINC000132477559 442394246 /nfs/dbraw/zinc/39/42/46/442394246.db2.gz ZRHNWJVXVOURPV-GOEBONIOSA-N 2 2 325.522 1.804 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1CCSCC1 ZINC000132477559 442394249 /nfs/dbraw/zinc/39/42/49/442394249.db2.gz ZRHNWJVXVOURPV-GOEBONIOSA-N 2 2 325.522 1.804 20 0 EDADLP CC[NH+]1CCN(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000171979427 442395680 /nfs/dbraw/zinc/39/56/80/442395680.db2.gz JIPDVYWRXFUMTP-UHFFFAOYSA-N 2 2 327.432 1.240 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000133491730 442420769 /nfs/dbraw/zinc/42/07/69/442420769.db2.gz GIHRIFFDLMKEIZ-QGZVFWFLSA-N 2 2 334.464 1.229 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000133703435 442430471 /nfs/dbraw/zinc/43/04/71/442430471.db2.gz DLUKXNKOQUIABM-MRXNPFEDSA-N 2 2 349.500 1.435 20 0 EDADLP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C(C)(C)O1 ZINC000133717448 442431462 /nfs/dbraw/zinc/43/14/62/442431462.db2.gz NQKXUAIYSDNEKU-MRXNPFEDSA-N 2 2 347.507 1.924 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134081836 442449351 /nfs/dbraw/zinc/44/93/51/442449351.db2.gz LHZNPXBKCVBGPU-AWEZNQCLSA-N 2 2 346.479 1.112 20 0 EDADLP C[C@H](CNC(=O)C[N@@H+]1CCc2sccc2C1)C[NH+]1CCOCC1 ZINC000134182275 442455380 /nfs/dbraw/zinc/45/53/80/442455380.db2.gz PXSIHCGOUPPPQM-CQSZACIVSA-N 2 2 337.489 1.191 20 0 EDADLP C[C@H](CNC(=O)C[N@H+]1CCc2sccc2C1)C[NH+]1CCOCC1 ZINC000134182275 442455383 /nfs/dbraw/zinc/45/53/83/442455383.db2.gz PXSIHCGOUPPPQM-CQSZACIVSA-N 2 2 337.489 1.191 20 0 EDADLP CS[C@H]1CCCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000134557282 442495543 /nfs/dbraw/zinc/49/55/43/442495543.db2.gz OFHUKXCIWFEBGH-HNNXBMFYSA-N 2 2 343.537 1.431 20 0 EDADLP CS[C@H]1CCCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000134557282 442495547 /nfs/dbraw/zinc/49/55/47/442495547.db2.gz OFHUKXCIWFEBGH-HNNXBMFYSA-N 2 2 343.537 1.431 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000178770321 442479655 /nfs/dbraw/zinc/47/96/55/442479655.db2.gz FZROYGBXWDOVAN-GOEBONIOSA-N 2 2 334.439 1.204 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3noc(C)n3)CC2)CC1 ZINC000156918544 442533894 /nfs/dbraw/zinc/53/38/94/442533894.db2.gz XIXOYWBARHEGAZ-ZDUSSCGKSA-N 2 2 335.452 1.110 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134903400 442534882 /nfs/dbraw/zinc/53/48/82/442534882.db2.gz LVBICWBVGGMBAF-XYVMCAHJSA-N 2 2 335.492 1.619 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134903400 442534888 /nfs/dbraw/zinc/53/48/88/442534888.db2.gz LVBICWBVGGMBAF-XYVMCAHJSA-N 2 2 335.492 1.619 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134903400 442534890 /nfs/dbraw/zinc/53/48/90/442534890.db2.gz LVBICWBVGGMBAF-XYVMCAHJSA-N 2 2 335.492 1.619 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134903400 442534896 /nfs/dbraw/zinc/53/48/96/442534896.db2.gz LVBICWBVGGMBAF-XYVMCAHJSA-N 2 2 335.492 1.619 20 0 EDADLP O=C([C@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)c1ccccc1)N1CCCCC1 ZINC000179008008 442550147 /nfs/dbraw/zinc/55/01/47/442550147.db2.gz MMNMLUHIYPGRTK-RTBURBONSA-N 2 2 342.487 1.330 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CC1 ZINC000178889499 442515538 /nfs/dbraw/zinc/51/55/38/442515538.db2.gz FQYGJYBYLNMXRB-XHHISWJOSA-N 2 2 328.460 1.660 20 0 EDADLP Cc1ccc(C)c(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000178905971 442520644 /nfs/dbraw/zinc/52/06/44/442520644.db2.gz SJUUVZOSPXEJGO-GOSISDBHSA-N 2 2 331.460 1.326 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134861567 442529859 /nfs/dbraw/zinc/52/98/59/442529859.db2.gz WWTOJCVFMJXCKB-IIAWOOMASA-N 2 2 329.448 1.752 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134861567 442529863 /nfs/dbraw/zinc/52/98/63/442529863.db2.gz WWTOJCVFMJXCKB-IIAWOOMASA-N 2 2 329.448 1.752 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134861567 442529867 /nfs/dbraw/zinc/52/98/67/442529867.db2.gz WWTOJCVFMJXCKB-IIAWOOMASA-N 2 2 329.448 1.752 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134861567 442529872 /nfs/dbraw/zinc/52/98/72/442529872.db2.gz WWTOJCVFMJXCKB-IIAWOOMASA-N 2 2 329.448 1.752 20 0 EDADLP COC(=O)C1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000192438981 442646758 /nfs/dbraw/zinc/64/67/58/442646758.db2.gz IQZWUKMZLKTJRH-NKELODKYSA-N 2 2 346.471 1.727 20 0 EDADLP COC(=O)C1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000192438981 442646760 /nfs/dbraw/zinc/64/67/60/442646760.db2.gz IQZWUKMZLKTJRH-NKELODKYSA-N 2 2 346.471 1.727 20 0 EDADLP C[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1CCCCCC1 ZINC000173155894 442612240 /nfs/dbraw/zinc/61/22/40/442612240.db2.gz OERZZMSNZJAJLF-QGZVFWFLSA-N 2 2 347.507 1.719 20 0 EDADLP C[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1CCCCCC1 ZINC000173155894 442612245 /nfs/dbraw/zinc/61/22/45/442612245.db2.gz OERZZMSNZJAJLF-QGZVFWFLSA-N 2 2 347.507 1.719 20 0 EDADLP COCCc1noc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000192757699 442684134 /nfs/dbraw/zinc/68/41/34/442684134.db2.gz XSDMALXNHJJRCF-UHFFFAOYSA-N 2 2 339.484 1.106 20 0 EDADLP COCCc1noc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000192757699 442684136 /nfs/dbraw/zinc/68/41/36/442684136.db2.gz XSDMALXNHJJRCF-UHFFFAOYSA-N 2 2 339.484 1.106 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000192943742 442700326 /nfs/dbraw/zinc/70/03/26/442700326.db2.gz VXBILUJPNIMZSS-UHFFFAOYSA-N 2 2 345.491 1.785 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000181546780 442703032 /nfs/dbraw/zinc/70/30/32/442703032.db2.gz VCLPVHWEBOUMAN-UHFFFAOYSA-N 2 2 327.469 1.204 20 0 EDADLP CC[C@H](C)NC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188329564 442740087 /nfs/dbraw/zinc/74/00/87/442740087.db2.gz OFADWHAOQJYDQV-QFBILLFUSA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188329564 442740090 /nfs/dbraw/zinc/74/00/90/442740090.db2.gz OFADWHAOQJYDQV-QFBILLFUSA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188329564 442740093 /nfs/dbraw/zinc/74/00/93/442740093.db2.gz OFADWHAOQJYDQV-QFBILLFUSA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188329564 442740095 /nfs/dbraw/zinc/74/00/95/442740095.db2.gz OFADWHAOQJYDQV-QFBILLFUSA-N 2 2 333.476 1.470 20 0 EDADLP C[C@H](CCNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000181695736 442710428 /nfs/dbraw/zinc/71/04/28/442710428.db2.gz RUKDZNQOVUSVLR-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H](CCNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000181695736 442710431 /nfs/dbraw/zinc/71/04/31/442710431.db2.gz RUKDZNQOVUSVLR-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000182624066 442797238 /nfs/dbraw/zinc/79/72/38/442797238.db2.gz JTDBBJKTHWQNLU-QZTJIDSGSA-N 2 2 347.507 1.395 20 0 EDADLP COCC[NH+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000193846187 442797842 /nfs/dbraw/zinc/79/78/42/442797842.db2.gz AZACRUDMFWIYNZ-UHFFFAOYSA-N 2 2 335.452 1.166 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000246865796 442819335 /nfs/dbraw/zinc/81/93/35/442819335.db2.gz KUCRWVOWUGPHSK-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000246865796 442819339 /nfs/dbraw/zinc/81/93/39/442819339.db2.gz KUCRWVOWUGPHSK-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000246865796 442819342 /nfs/dbraw/zinc/81/93/42/442819342.db2.gz KUCRWVOWUGPHSK-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000246865796 442819345 /nfs/dbraw/zinc/81/93/45/442819345.db2.gz KUCRWVOWUGPHSK-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000182808825 442828551 /nfs/dbraw/zinc/82/85/51/442828551.db2.gz GQPSXCIBGAXVDV-FUHWJXTLSA-N 2 2 338.517 1.964 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000182808825 442828554 /nfs/dbraw/zinc/82/85/54/442828554.db2.gz GQPSXCIBGAXVDV-FUHWJXTLSA-N 2 2 338.517 1.964 20 0 EDADLP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000268081061 442839018 /nfs/dbraw/zinc/83/90/18/442839018.db2.gz GKPQZDLWABSVOR-OLZOCXBDSA-N 2 2 325.478 1.649 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H](O)C2CCCCC2)CC1 ZINC000179307684 318456231 /nfs/dbraw/zinc/45/62/31/318456231.db2.gz BZFSCFVWWVCKST-KRWDZBQOSA-N 2 2 340.512 1.253 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000183153300 442890061 /nfs/dbraw/zinc/89/00/61/442890061.db2.gz RXMYZJIKNVUVEB-IAGOWNOFSA-N 2 2 347.507 1.996 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000183153300 442890066 /nfs/dbraw/zinc/89/00/66/442890066.db2.gz RXMYZJIKNVUVEB-IAGOWNOFSA-N 2 2 347.507 1.996 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000183153300 442890068 /nfs/dbraw/zinc/89/00/68/442890068.db2.gz RXMYZJIKNVUVEB-IAGOWNOFSA-N 2 2 347.507 1.996 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000183153300 442890071 /nfs/dbraw/zinc/89/00/71/442890071.db2.gz RXMYZJIKNVUVEB-IAGOWNOFSA-N 2 2 347.507 1.996 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248438153 442891113 /nfs/dbraw/zinc/89/11/13/442891113.db2.gz BSLWHMBFMHGKRM-UONOGXRCSA-N 2 2 327.469 1.106 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248438153 442891117 /nfs/dbraw/zinc/89/11/17/442891117.db2.gz BSLWHMBFMHGKRM-UONOGXRCSA-N 2 2 327.469 1.106 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248438153 442891120 /nfs/dbraw/zinc/89/11/20/442891120.db2.gz BSLWHMBFMHGKRM-UONOGXRCSA-N 2 2 327.469 1.106 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248438153 442891123 /nfs/dbraw/zinc/89/11/23/442891123.db2.gz BSLWHMBFMHGKRM-UONOGXRCSA-N 2 2 327.469 1.106 20 0 EDADLP C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000183160937 442892456 /nfs/dbraw/zinc/89/24/56/442892456.db2.gz GSUFWEOGALXVLU-NVXWUHKLSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000183160937 442892460 /nfs/dbraw/zinc/89/24/60/442892460.db2.gz GSUFWEOGALXVLU-NVXWUHKLSA-N 2 2 347.459 1.160 20 0 EDADLP CC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1C[C@@H](C)O ZINC000268202265 442898235 /nfs/dbraw/zinc/89/82/35/442898235.db2.gz YWGRLWRDDLWAMO-HIFRSBDPSA-N 2 2 339.505 1.727 20 0 EDADLP CC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1C[C@@H](C)O ZINC000268202265 442898239 /nfs/dbraw/zinc/89/82/39/442898239.db2.gz YWGRLWRDDLWAMO-HIFRSBDPSA-N 2 2 339.505 1.727 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194540634 442912136 /nfs/dbraw/zinc/91/21/36/442912136.db2.gz XNEBRTNMVYYGDZ-IYBDPMFKSA-N 2 2 334.464 1.445 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194540634 442912141 /nfs/dbraw/zinc/91/21/41/442912141.db2.gz XNEBRTNMVYYGDZ-IYBDPMFKSA-N 2 2 334.464 1.445 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194540634 442912145 /nfs/dbraw/zinc/91/21/45/442912145.db2.gz XNEBRTNMVYYGDZ-IYBDPMFKSA-N 2 2 334.464 1.445 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194540634 442912148 /nfs/dbraw/zinc/91/21/48/442912148.db2.gz XNEBRTNMVYYGDZ-IYBDPMFKSA-N 2 2 334.464 1.445 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000265852456 442944891 /nfs/dbraw/zinc/94/48/91/442944891.db2.gz UWVCROKSUCDFQZ-MRXNPFEDSA-N 2 2 343.471 1.733 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000265852456 442944895 /nfs/dbraw/zinc/94/48/95/442944895.db2.gz UWVCROKSUCDFQZ-MRXNPFEDSA-N 2 2 343.471 1.733 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@H]1n1cc[nH+]c1 ZINC000268324055 442947018 /nfs/dbraw/zinc/94/70/18/442947018.db2.gz KRMBXMMDNJRYCV-HUUCEWRRSA-N 2 2 337.493 1.524 20 0 EDADLP O=C(C[NH2+][C@@H](CO)c1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000183627127 442947631 /nfs/dbraw/zinc/94/76/31/442947631.db2.gz ASJJSKCRVDLETK-SFHVURJKSA-N 2 2 343.427 1.247 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000268511670 443015741 /nfs/dbraw/zinc/01/57/41/443015741.db2.gz CKFHRUHQSSMFGE-MRXNPFEDSA-N 2 2 331.464 1.177 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000268511670 443015743 /nfs/dbraw/zinc/01/57/43/443015743.db2.gz CKFHRUHQSSMFGE-MRXNPFEDSA-N 2 2 331.464 1.177 20 0 EDADLP CN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268477771 443003175 /nfs/dbraw/zinc/00/31/75/443003175.db2.gz IAPKRIZCRYZSSF-QGZVFWFLSA-N 2 2 327.432 1.799 20 0 EDADLP CN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268477771 443003181 /nfs/dbraw/zinc/00/31/81/443003181.db2.gz IAPKRIZCRYZSSF-QGZVFWFLSA-N 2 2 327.432 1.799 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1CO ZINC000190338672 443087173 /nfs/dbraw/zinc/08/71/73/443087173.db2.gz UUOVBGXKUIFECL-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cn2cc[nH+]c12 ZINC000296725867 318720718 /nfs/dbraw/zinc/72/07/18/318720718.db2.gz BVFWCONPMDIHLH-OAHLLOKOSA-N 2 2 343.431 1.829 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000268807275 443114447 /nfs/dbraw/zinc/11/44/47/443114447.db2.gz LCWPIVREYVMUMY-ROUUACIJSA-N 4 2 331.508 1.666 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000268807275 443114451 /nfs/dbraw/zinc/11/44/51/443114451.db2.gz LCWPIVREYVMUMY-ROUUACIJSA-N 4 2 331.508 1.666 20 0 EDADLP [NH3+]C1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000237936309 443189264 /nfs/dbraw/zinc/18/92/64/443189264.db2.gz KKDADHFNHNBJJM-INIZCTEOSA-N 2 2 345.443 1.544 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CCSCC1 ZINC000269201438 443231061 /nfs/dbraw/zinc/23/10/61/443231061.db2.gz GSEXZABAZXMHLJ-INIZCTEOSA-N 2 2 330.457 1.377 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245548032 443235353 /nfs/dbraw/zinc/23/53/53/443235353.db2.gz NQTYCEWPWSKTND-CVEARBPZSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245548032 443235359 /nfs/dbraw/zinc/23/53/59/443235359.db2.gz NQTYCEWPWSKTND-CVEARBPZSA-N 2 2 329.448 1.540 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000185460102 443202570 /nfs/dbraw/zinc/20/25/70/443202570.db2.gz VXFLFWREJWCAHZ-RDJZCZTQSA-N 2 2 339.505 1.120 20 0 EDADLP COCC[NH+]1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000269247966 443249805 /nfs/dbraw/zinc/24/98/05/443249805.db2.gz WAVPHIWCVCHCPD-UHFFFAOYSA-N 2 2 344.459 1.394 20 0 EDADLP C[N@@H+]1CCO[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000351206308 319095926 /nfs/dbraw/zinc/09/59/26/319095926.db2.gz WLYTTZHIRGBJED-OAHLLOKOSA-N 2 2 325.372 1.985 20 0 EDADLP C[N@H+]1CCO[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C1 ZINC000351206308 319095928 /nfs/dbraw/zinc/09/59/28/319095928.db2.gz WLYTTZHIRGBJED-OAHLLOKOSA-N 2 2 325.372 1.985 20 0 EDADLP CCC[N@H+](C[C@@H]1CCCCO1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411369533 319179527 /nfs/dbraw/zinc/17/95/27/319179527.db2.gz QJSROMNKCQCVBM-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCC[N@@H+](C[C@@H]1CCCCO1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411369533 319179530 /nfs/dbraw/zinc/17/95/30/319179530.db2.gz QJSROMNKCQCVBM-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413550639 319276439 /nfs/dbraw/zinc/27/64/39/319276439.db2.gz KSQAVKVUNYFUHH-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413550639 319276442 /nfs/dbraw/zinc/27/64/42/319276442.db2.gz KSQAVKVUNYFUHH-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP C[N@H+](CCCCNc1[nH+]cnc2c1cnn2-c1ncccn1)C1CC1 ZINC000414186141 319317837 /nfs/dbraw/zinc/31/78/37/319317837.db2.gz PGTWIWDQHFEZOW-UHFFFAOYSA-N 2 2 338.419 1.892 20 0 EDADLP C[N@@H+](CCCCNc1[nH+]cnc2c1cnn2-c1ncccn1)C1CC1 ZINC000414186141 319317839 /nfs/dbraw/zinc/31/78/39/319317839.db2.gz PGTWIWDQHFEZOW-UHFFFAOYSA-N 2 2 338.419 1.892 20 0 EDADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000414213899 319320985 /nfs/dbraw/zinc/32/09/85/319320985.db2.gz RWXNIJJOSFKKFC-SJLPKXTDSA-N 2 2 345.487 1.924 20 0 EDADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000414213899 319320986 /nfs/dbraw/zinc/32/09/86/319320986.db2.gz RWXNIJJOSFKKFC-SJLPKXTDSA-N 2 2 345.487 1.924 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000266927903 443293300 /nfs/dbraw/zinc/29/33/00/443293300.db2.gz XZLFHKYZENPHNA-IRXDYDNUSA-N 2 2 333.476 1.591 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000266927903 443293305 /nfs/dbraw/zinc/29/33/05/443293305.db2.gz XZLFHKYZENPHNA-IRXDYDNUSA-N 2 2 333.476 1.591 20 0 EDADLP C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000269277171 443263412 /nfs/dbraw/zinc/26/34/12/443263412.db2.gz XRZSYPPAXVAGNA-WMLDXEAASA-N 2 2 328.416 1.818 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269279673 443264586 /nfs/dbraw/zinc/26/45/86/443264586.db2.gz ZWXAEBVIABYSTK-KRWDZBQOSA-N 2 2 346.475 1.525 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416889886 319469770 /nfs/dbraw/zinc/46/97/70/319469770.db2.gz LFAWKBUKUNRUFT-MSOLQXFVSA-N 2 2 348.491 1.877 20 0 EDADLP CCc1cc(NCCN2CC[NH+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000264577646 443333371 /nfs/dbraw/zinc/33/33/71/443333371.db2.gz ZIAGKTOFQRAFST-UHFFFAOYSA-N 2 2 326.448 1.760 20 0 EDADLP Cc1[nH]c(C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c[nH+]1 ZINC000267100325 443341338 /nfs/dbraw/zinc/34/13/38/443341338.db2.gz KPSJNCPTSRTPCX-GOSISDBHSA-N 2 2 342.443 1.894 20 0 EDADLP CN(C)c1ncnc(Cl)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000278600481 443373874 /nfs/dbraw/zinc/37/38/74/443373874.db2.gz LTRDBJGIBZWQCV-UHFFFAOYSA-N 2 2 340.903 1.265 20 0 EDADLP CN(C)c1ncnc(Cl)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000278600481 443373879 /nfs/dbraw/zinc/37/38/79/443373879.db2.gz LTRDBJGIBZWQCV-UHFFFAOYSA-N 2 2 340.903 1.265 20 0 EDADLP O=CN1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278722264 443413687 /nfs/dbraw/zinc/41/36/87/443413687.db2.gz MFXOYNNSUDRQKQ-LJQANCHMSA-N 2 2 331.460 1.488 20 0 EDADLP O=CN1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278722264 443413692 /nfs/dbraw/zinc/41/36/92/443413692.db2.gz MFXOYNNSUDRQKQ-LJQANCHMSA-N 2 2 331.460 1.488 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)[NH+](C)C)cc1 ZINC000264732144 443395945 /nfs/dbraw/zinc/39/59/45/443395945.db2.gz NFXBZMWMTQFINI-ROUUACIJSA-N 2 2 347.507 1.143 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)[NH+](C)C)cc1 ZINC000264732144 443395948 /nfs/dbraw/zinc/39/59/48/443395948.db2.gz NFXBZMWMTQFINI-ROUUACIJSA-N 2 2 347.507 1.143 20 0 EDADLP COC[C@H](O)C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000282655202 443400646 /nfs/dbraw/zinc/40/06/46/443400646.db2.gz MGNFAZWFKPPJFP-GFCCVEGCSA-N 2 2 328.210 1.502 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267396245 443442358 /nfs/dbraw/zinc/44/23/58/443442358.db2.gz RKGGLKCADONHHH-HNNXBMFYSA-N 2 2 328.416 1.058 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000267414395 443448860 /nfs/dbraw/zinc/44/88/60/443448860.db2.gz JARRWHMYTXRVCW-LSDHHAIUSA-N 2 2 348.447 1.391 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000267414395 443448862 /nfs/dbraw/zinc/44/88/62/443448862.db2.gz JARRWHMYTXRVCW-LSDHHAIUSA-N 2 2 348.447 1.391 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000269808522 443449962 /nfs/dbraw/zinc/44/99/62/443449962.db2.gz LRSXQIKNTUNELX-AWEZNQCLSA-N 2 2 341.253 1.499 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)c1ccsc1 ZINC000282875447 443456497 /nfs/dbraw/zinc/45/64/97/443456497.db2.gz RSLOLBJYRBJQRH-CQSZACIVSA-N 2 2 325.478 1.578 20 0 EDADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1OCC(=O)N(C)C ZINC000422946652 319740099 /nfs/dbraw/zinc/74/00/99/319740099.db2.gz WYGKCGBNVJXUTD-DZGCQCFKSA-N 2 2 335.448 1.250 20 0 EDADLP C[NH+](C)C1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCOCC1 ZINC000271304551 443499304 /nfs/dbraw/zinc/49/93/04/443499304.db2.gz JMALQDOXLZDCQW-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000265193262 443565883 /nfs/dbraw/zinc/56/58/83/443565883.db2.gz IRAKQFAXCUADBS-OAHLLOKOSA-N 2 2 334.445 1.373 20 0 EDADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000265193262 443565887 /nfs/dbraw/zinc/56/58/87/443565887.db2.gz IRAKQFAXCUADBS-OAHLLOKOSA-N 2 2 334.445 1.373 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cn21 ZINC000272192101 443552654 /nfs/dbraw/zinc/55/26/54/443552654.db2.gz KMUANRPGQHQOCE-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cn21 ZINC000272192101 443552656 /nfs/dbraw/zinc/55/26/56/443552656.db2.gz KMUANRPGQHQOCE-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272356106 443602145 /nfs/dbraw/zinc/60/21/45/443602145.db2.gz RLRHAJYYQSMHJB-RHSMWYFYSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272356106 443602150 /nfs/dbraw/zinc/60/21/50/443602150.db2.gz RLRHAJYYQSMHJB-RHSMWYFYSA-N 2 2 325.416 1.824 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000440068123 320061042 /nfs/dbraw/zinc/06/10/42/320061042.db2.gz CHUDIJUCDPLSSQ-XWTMOSNGSA-N 2 2 325.497 1.017 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000440068123 320061045 /nfs/dbraw/zinc/06/10/45/320061045.db2.gz CHUDIJUCDPLSSQ-XWTMOSNGSA-N 2 2 325.497 1.017 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000440259190 320066829 /nfs/dbraw/zinc/06/68/29/320066829.db2.gz KESYEIBFUBRVES-NXHRZFHOSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000440259190 320066830 /nfs/dbraw/zinc/06/68/30/320066830.db2.gz KESYEIBFUBRVES-NXHRZFHOSA-N 2 2 335.492 1.573 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000441811493 320102598 /nfs/dbraw/zinc/10/25/98/320102598.db2.gz FQDBSNHKUSUSIK-BDXSIMOUSA-N 2 2 327.513 1.120 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000441811493 320102601 /nfs/dbraw/zinc/10/26/01/320102601.db2.gz FQDBSNHKUSUSIK-BDXSIMOUSA-N 2 2 327.513 1.120 20 0 EDADLP Cc1cccc(CC[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000449220604 320179446 /nfs/dbraw/zinc/17/94/46/320179446.db2.gz DIJWVGDBLSSSOH-GOSISDBHSA-N 2 2 331.460 1.060 20 0 EDADLP CCC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000449224786 320179691 /nfs/dbraw/zinc/17/96/91/320179691.db2.gz MSBWWVDWDCGAQC-QZTJIDSGSA-N 2 2 337.508 1.868 20 0 EDADLP CNc1nc(NC2CC[NH+](Cc3ccccn3)CC2)[nH+]c2ccccc21 ZINC000450263794 320217708 /nfs/dbraw/zinc/21/77/08/320217708.db2.gz YHBUHMYAZLVDHW-UHFFFAOYSA-N 2 2 348.454 1.987 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000280145115 443672607 /nfs/dbraw/zinc/67/26/07/443672607.db2.gz WULJITYWUFUUNE-HZPDHXFCSA-N 2 2 347.463 1.022 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000456531761 320309811 /nfs/dbraw/zinc/30/98/11/320309811.db2.gz OVGIMVNCDAPMER-MRXNPFEDSA-N 2 2 346.475 1.470 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CCCCO)CC2)c1 ZINC000276379930 443693701 /nfs/dbraw/zinc/69/37/01/443693701.db2.gz LEVLFJUKHGIQML-UHFFFAOYSA-N 2 2 333.476 1.344 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ncccc3F)CC2)CC1 ZINC000471967338 320353139 /nfs/dbraw/zinc/35/31/39/320353139.db2.gz RMESREVPRJBIEC-UHFFFAOYSA-N 2 2 334.439 1.438 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489330998 320359168 /nfs/dbraw/zinc/35/91/68/320359168.db2.gz PSYFCOJTJOUBBL-XDNAFOTISA-N 2 2 339.524 1.919 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)[C@@H](C(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489330998 320359169 /nfs/dbraw/zinc/35/91/69/320359169.db2.gz PSYFCOJTJOUBBL-XDNAFOTISA-N 2 2 339.524 1.919 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489330998 320359170 /nfs/dbraw/zinc/35/91/70/320359170.db2.gz PSYFCOJTJOUBBL-XDNAFOTISA-N 2 2 339.524 1.919 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489330998 320359171 /nfs/dbraw/zinc/35/91/71/320359171.db2.gz PSYFCOJTJOUBBL-XDNAFOTISA-N 2 2 339.524 1.919 20 0 EDADLP CC[N@@H+]1CCN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000286309429 443688151 /nfs/dbraw/zinc/68/81/51/443688151.db2.gz CVOYVFCOSRDJLP-QGZVFWFLSA-N 2 2 345.491 1.146 20 0 EDADLP CC[N@H+]1CCN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000286309429 443688154 /nfs/dbraw/zinc/68/81/54/443688154.db2.gz CVOYVFCOSRDJLP-QGZVFWFLSA-N 2 2 345.491 1.146 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)CCCCO)CC2)c1 ZINC000276379930 443693700 /nfs/dbraw/zinc/69/37/00/443693700.db2.gz LEVLFJUKHGIQML-UHFFFAOYSA-N 2 2 333.476 1.344 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC[NH+](CC)CC ZINC000283746682 443705108 /nfs/dbraw/zinc/70/51/08/443705108.db2.gz NTDHIVNDCNPESR-HNNXBMFYSA-N 2 2 349.479 1.415 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000518068677 320453907 /nfs/dbraw/zinc/45/39/07/320453907.db2.gz RMLWJRCYGIHDQU-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000526037474 320497511 /nfs/dbraw/zinc/49/75/11/320497511.db2.gz LYNWSNAVTMOWII-CQSZACIVSA-N 2 2 341.415 1.198 20 0 EDADLP CC[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[NH+](C)C ZINC000298515078 443788722 /nfs/dbraw/zinc/78/87/22/443788722.db2.gz BKWWEJIXDPDBCD-MSOLQXFVSA-N 2 2 333.476 1.386 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000283887320 443755363 /nfs/dbraw/zinc/75/53/63/443755363.db2.gz HJBVVNARGHLEDT-PBHICJAKSA-N 2 2 345.447 1.882 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000292156712 443779228 /nfs/dbraw/zinc/77/92/28/443779228.db2.gz ZDUOMWGYPKXJTJ-UHFFFAOYSA-N 2 2 343.431 1.326 20 0 EDADLP CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000298632980 443824086 /nfs/dbraw/zinc/82/40/86/443824086.db2.gz AJJQUOONBUOKKV-UHFFFAOYSA-N 2 2 331.464 1.393 20 0 EDADLP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccccc1F ZINC000530240347 320616743 /nfs/dbraw/zinc/61/67/43/320616743.db2.gz ZIRSQUMJLGXOHL-HNNXBMFYSA-N 2 2 335.423 1.855 20 0 EDADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnn(C)n3)[nH+]c12 ZINC000292757892 443836625 /nfs/dbraw/zinc/83/66/25/443836625.db2.gz BQTBDRFQQUDRAO-UHFFFAOYSA-N 2 2 349.236 1.866 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000281052612 443805286 /nfs/dbraw/zinc/80/52/86/443805286.db2.gz QYEZRLAKZLOYTD-OAHLLOKOSA-N 2 2 329.404 1.663 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)NCc3[nH]c[nH+]c3C)cc2F)CC1 ZINC000531013175 320645441 /nfs/dbraw/zinc/64/54/41/320645441.db2.gz QHLYBGSJXBCGNE-UHFFFAOYSA-N 2 2 345.422 1.929 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000293325655 443984819 /nfs/dbraw/zinc/98/48/19/443984819.db2.gz JBUWPJXJIIEBMS-BETUJISGSA-N 2 2 329.404 1.132 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000293325655 443984821 /nfs/dbraw/zinc/98/48/21/443984821.db2.gz JBUWPJXJIIEBMS-BETUJISGSA-N 2 2 329.404 1.132 20 0 EDADLP CC(C)n1cc([C@]2(O)CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)nn1 ZINC000285481236 444001048 /nfs/dbraw/zinc/00/10/48/444001048.db2.gz LSMKIYBMVCYSPI-SFHVURJKSA-N 2 2 340.431 1.990 20 0 EDADLP CC(C)n1cc([C@]2(O)CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)nn1 ZINC000285481236 444001055 /nfs/dbraw/zinc/00/10/55/444001055.db2.gz LSMKIYBMVCYSPI-SFHVURJKSA-N 2 2 340.431 1.990 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1S(C)(=O)=O ZINC000548307603 320872580 /nfs/dbraw/zinc/87/25/80/320872580.db2.gz WBYYSZSOQHAYRX-JSGCOSHPSA-N 2 2 349.456 1.961 20 0 EDADLP C[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)C[NH+]1CCOCC1 ZINC000277788993 444039958 /nfs/dbraw/zinc/03/99/58/444039958.db2.gz MOYFENOLVOHUSJ-AWEZNQCLSA-N 2 2 337.493 1.410 20 0 EDADLP C[C@@H](CNc1cc(N2CCSCC2)nc[nH+]1)C[NH+]1CCOCC1 ZINC000277788993 444039964 /nfs/dbraw/zinc/03/99/64/444039964.db2.gz MOYFENOLVOHUSJ-AWEZNQCLSA-N 2 2 337.493 1.410 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1)[C@@H](C)CO ZINC000293532169 444045234 /nfs/dbraw/zinc/04/52/34/444045234.db2.gz XDMJGDYBHBYKNF-INIZCTEOSA-N 2 2 349.475 1.042 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1)[C@@H](C)CO ZINC000293532169 444045242 /nfs/dbraw/zinc/04/52/42/444045242.db2.gz XDMJGDYBHBYKNF-INIZCTEOSA-N 2 2 349.475 1.042 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)Cc2cn3ccccc3[nH+]2)CC1(C)C ZINC000281792453 444007319 /nfs/dbraw/zinc/00/73/19/444007319.db2.gz ODDJULWGZWNSDO-UHFFFAOYSA-N 2 2 329.448 1.019 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)Cc2cn3ccccc3[nH+]2)CC1(C)C ZINC000281792453 444007324 /nfs/dbraw/zinc/00/73/24/444007324.db2.gz ODDJULWGZWNSDO-UHFFFAOYSA-N 2 2 329.448 1.019 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000299512663 444067071 /nfs/dbraw/zinc/06/70/71/444067071.db2.gz NNAVRLHSPJVVEY-OAHLLOKOSA-N 2 2 345.447 1.948 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCc1cn3c([nH+]1)CCCC3)C2 ZINC000558472948 321014200 /nfs/dbraw/zinc/01/42/00/321014200.db2.gz RXIDVGYZBNBYBV-CQSZACIVSA-N 2 2 327.432 1.646 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561009979 321031224 /nfs/dbraw/zinc/03/12/24/321031224.db2.gz JEDGONVQJUKSGT-ZIAGYGMSSA-N 2 2 343.431 1.652 20 0 EDADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000561144404 321035057 /nfs/dbraw/zinc/03/50/57/321035057.db2.gz HFGTWFFFSZTXHD-QGZVFWFLSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCOC2=O)cc1 ZINC000293750331 444087449 /nfs/dbraw/zinc/08/74/49/444087449.db2.gz OCYKUAANMMXNMH-CRAIPNDOSA-N 2 2 346.475 1.930 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCOC2=O)cc1 ZINC000293750331 444087452 /nfs/dbraw/zinc/08/74/52/444087452.db2.gz OCYKUAANMMXNMH-CRAIPNDOSA-N 2 2 346.475 1.930 20 0 EDADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000289238923 444084462 /nfs/dbraw/zinc/08/44/62/444084462.db2.gz MRADESMHJUKDMV-INIZCTEOSA-N 2 2 349.450 1.964 20 0 EDADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000563422476 321110471 /nfs/dbraw/zinc/11/04/71/321110471.db2.gz DOLIIETUIKTXJL-ZWKOTPCHSA-N 3 2 333.476 1.757 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)CO[C@@H]3CCOC3)c2cc1C ZINC000563952603 321117294 /nfs/dbraw/zinc/11/72/94/321117294.db2.gz MRSLOSRKNGJZFW-GVDBMIGSSA-N 2 2 347.459 1.798 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000564150282 321121699 /nfs/dbraw/zinc/12/16/99/321121699.db2.gz OEUWFWULIZADBQ-UKRRQHHQSA-N 2 2 326.404 1.219 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000564150282 321121701 /nfs/dbraw/zinc/12/17/01/321121701.db2.gz OEUWFWULIZADBQ-UKRRQHHQSA-N 2 2 326.404 1.219 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@@H]1C ZINC000564256233 321124337 /nfs/dbraw/zinc/12/43/37/321124337.db2.gz VRLFIRVDEVYBQV-LZWOXQAQSA-N 2 2 327.469 1.105 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@@H]1C ZINC000564256233 321124339 /nfs/dbraw/zinc/12/43/39/321124339.db2.gz VRLFIRVDEVYBQV-LZWOXQAQSA-N 2 2 327.469 1.105 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@@H]1C ZINC000564256233 321124340 /nfs/dbraw/zinc/12/43/40/321124340.db2.gz VRLFIRVDEVYBQV-LZWOXQAQSA-N 2 2 327.469 1.105 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@@H]1C ZINC000564256233 321124342 /nfs/dbraw/zinc/12/43/42/321124342.db2.gz VRLFIRVDEVYBQV-LZWOXQAQSA-N 2 2 327.469 1.105 20 0 EDADLP CCCCOc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1OC ZINC000565234814 321177727 /nfs/dbraw/zinc/17/77/27/321177727.db2.gz YZDFJFOKTWOQCS-HZPDHXFCSA-N 2 2 347.459 1.618 20 0 EDADLP CCCCOc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1OC ZINC000565234814 321177728 /nfs/dbraw/zinc/17/77/28/321177728.db2.gz YZDFJFOKTWOQCS-HZPDHXFCSA-N 2 2 347.459 1.618 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000566950431 321237141 /nfs/dbraw/zinc/23/71/41/321237141.db2.gz AQGYWYKNRLFKSU-LJQANCHMSA-N 2 2 342.487 1.999 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000566950431 321237142 /nfs/dbraw/zinc/23/71/42/321237142.db2.gz AQGYWYKNRLFKSU-LJQANCHMSA-N 2 2 342.487 1.999 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000566950431 321237143 /nfs/dbraw/zinc/23/71/43/321237143.db2.gz AQGYWYKNRLFKSU-LJQANCHMSA-N 2 2 342.487 1.999 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000566950431 321237144 /nfs/dbraw/zinc/23/71/44/321237144.db2.gz AQGYWYKNRLFKSU-LJQANCHMSA-N 2 2 342.487 1.999 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@@H+](C)C[C@@H](C)O)CC3)ccn12 ZINC000567625871 321249245 /nfs/dbraw/zinc/24/92/45/321249245.db2.gz YZNQNWXQKCRVPI-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@H+](C)C[C@@H](C)O)CC3)ccn12 ZINC000567625871 321249247 /nfs/dbraw/zinc/24/92/47/321249247.db2.gz YZNQNWXQKCRVPI-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)COC1CC[NH2+]CC1 ZINC000567806460 321259004 /nfs/dbraw/zinc/25/90/04/321259004.db2.gz MPLZJHKXLLNSQL-UHFFFAOYSA-N 2 2 342.443 1.658 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000567975626 321270044 /nfs/dbraw/zinc/27/00/44/321270044.db2.gz ZEJLTIGRJCEHFQ-INIZCTEOSA-N 2 2 346.475 1.549 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568188576 321279707 /nfs/dbraw/zinc/27/97/07/321279707.db2.gz LRBZIPSYFKWOLN-HOTGVXAUSA-N 2 2 338.883 1.305 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568188576 321279709 /nfs/dbraw/zinc/27/97/09/321279709.db2.gz LRBZIPSYFKWOLN-HOTGVXAUSA-N 2 2 338.883 1.305 20 0 EDADLP COc1cc2c(cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)O[C@@H](C)C2 ZINC000568473413 321292571 /nfs/dbraw/zinc/29/25/71/321292571.db2.gz DEICENUPCKGCES-YOEHRIQHSA-N 2 2 334.460 1.955 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1C ZINC000568588119 321297836 /nfs/dbraw/zinc/29/78/36/321297836.db2.gz FVELBUNUQRLBCX-OCCSQVGLSA-N 2 2 329.404 1.214 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1C ZINC000568588119 321297837 /nfs/dbraw/zinc/29/78/37/321297837.db2.gz FVELBUNUQRLBCX-OCCSQVGLSA-N 2 2 329.404 1.214 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568659774 321301120 /nfs/dbraw/zinc/30/11/20/321301120.db2.gz JQGYXDLKTMRTFW-ZIAGYGMSSA-N 2 2 330.436 1.587 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568659774 321301121 /nfs/dbraw/zinc/30/11/21/321301121.db2.gz JQGYXDLKTMRTFW-ZIAGYGMSSA-N 2 2 330.436 1.587 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC000568849599 321308765 /nfs/dbraw/zinc/30/87/65/321308765.db2.gz MTLVBBZFTFVTKN-BFYDXBDKSA-N 2 2 339.505 1.424 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569030100 321315358 /nfs/dbraw/zinc/31/53/58/321315358.db2.gz DXKAXIHXGYLANQ-UHFFFAOYSA-N 2 2 326.360 1.066 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000569837157 321330163 /nfs/dbraw/zinc/33/01/63/321330163.db2.gz JZPQHRRDYDDTIK-ROUUACIJSA-N 2 2 336.476 1.744 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000569837157 321330164 /nfs/dbraw/zinc/33/01/64/321330164.db2.gz JZPQHRRDYDDTIK-ROUUACIJSA-N 2 2 336.476 1.744 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000571027537 321367926 /nfs/dbraw/zinc/36/79/26/321367926.db2.gz BTHDKUYNKKTGJI-AAEUAGOBSA-N 2 2 328.420 1.997 20 0 EDADLP C[N@@H+]1CCN(Cc2cccc(OCc3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000571087838 321370250 /nfs/dbraw/zinc/37/02/50/321370250.db2.gz IBENIHWNOHZQEH-GOSISDBHSA-N 2 2 326.444 1.735 20 0 EDADLP C[N@H+]1CCN(Cc2cccc(OCc3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000571087838 321370251 /nfs/dbraw/zinc/37/02/51/321370251.db2.gz IBENIHWNOHZQEH-GOSISDBHSA-N 2 2 326.444 1.735 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000285854492 444129634 /nfs/dbraw/zinc/12/96/34/444129634.db2.gz YBSFHEDZIFWWGW-INIZCTEOSA-N 2 2 333.432 1.144 20 0 EDADLP COC[C@H](O)C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000572714374 321436009 /nfs/dbraw/zinc/43/60/09/321436009.db2.gz GILAZGMIMADQAP-QGZVFWFLSA-N 2 2 341.883 1.449 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000278354085 444144994 /nfs/dbraw/zinc/14/49/94/444144994.db2.gz KZOWCZMBPYNMHZ-LKGOPFMKSA-N 2 2 340.427 1.696 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000278354085 444144998 /nfs/dbraw/zinc/14/49/98/444144998.db2.gz KZOWCZMBPYNMHZ-LKGOPFMKSA-N 2 2 340.427 1.696 20 0 EDADLP CC(C)[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[NH+]1CCOCC1 ZINC000301152357 444149363 /nfs/dbraw/zinc/14/93/63/444149363.db2.gz BEJHKQUTTWUXBW-HOTGVXAUSA-N 2 2 349.479 1.206 20 0 EDADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289373091 444122504 /nfs/dbraw/zinc/12/25/04/444122504.db2.gz KKYVPOVQCJIACY-CZUORRHYSA-N 2 2 340.489 1.586 20 0 EDADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289373091 444122511 /nfs/dbraw/zinc/12/25/11/444122511.db2.gz KKYVPOVQCJIACY-CZUORRHYSA-N 2 2 340.489 1.586 20 0 EDADLP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295928923 444194570 /nfs/dbraw/zinc/19/45/70/444194570.db2.gz KEAJTLMGCCZDCH-JKSUJKDBSA-N 2 2 337.464 1.778 20 0 EDADLP CCCCOC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295928923 444194571 /nfs/dbraw/zinc/19/45/71/444194571.db2.gz KEAJTLMGCCZDCH-JKSUJKDBSA-N 2 2 337.464 1.778 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000289745178 444197965 /nfs/dbraw/zinc/19/79/65/444197965.db2.gz MFXDQGOXHOGELL-GOSISDBHSA-N 2 2 349.500 1.928 20 0 EDADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H](F)C(F)(F)F ZINC000290376825 444273624 /nfs/dbraw/zinc/27/36/24/444273624.db2.gz KLFOXJDBTYCZDV-ZDUSSCGKSA-N 2 2 348.344 1.610 20 0 EDADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)C(F)(F)F ZINC000290376825 444273626 /nfs/dbraw/zinc/27/36/26/444273626.db2.gz KLFOXJDBTYCZDV-ZDUSSCGKSA-N 2 2 348.344 1.610 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000305455978 444270054 /nfs/dbraw/zinc/27/00/54/444270054.db2.gz TYEWPJJBYVQFCZ-LJQANCHMSA-N 2 2 331.460 1.206 20 0 EDADLP CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000303094321 444234000 /nfs/dbraw/zinc/23/40/00/444234000.db2.gz LRCZYQCLZSZDEN-IAGOWNOFSA-N 2 2 344.459 1.615 20 0 EDADLP CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000303094321 444234001 /nfs/dbraw/zinc/23/40/01/444234001.db2.gz LRCZYQCLZSZDEN-IAGOWNOFSA-N 2 2 344.459 1.615 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000304011157 444239917 /nfs/dbraw/zinc/23/99/17/444239917.db2.gz VBTQZLKGTDUTMB-LPHOPBHVSA-N 2 2 335.467 1.961 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000304011157 444239918 /nfs/dbraw/zinc/23/99/18/444239918.db2.gz VBTQZLKGTDUTMB-LPHOPBHVSA-N 2 2 335.467 1.961 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290752606 444319491 /nfs/dbraw/zinc/31/94/91/444319491.db2.gz QWJJSDPAZHSTRB-UHFFFAOYSA-N 2 2 331.420 1.957 20 0 EDADLP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000305711452 444274562 /nfs/dbraw/zinc/27/45/62/444274562.db2.gz FLTTUQVTRTVJBI-ROUUACIJSA-N 2 2 349.450 1.582 20 0 EDADLP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000305711452 444274564 /nfs/dbraw/zinc/27/45/64/444274564.db2.gz FLTTUQVTRTVJBI-ROUUACIJSA-N 2 2 349.450 1.582 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CCc2c[nH+]cn2C)cn1 ZINC000577918486 321693748 /nfs/dbraw/zinc/69/37/48/321693748.db2.gz WNUNMXVQEAYCDF-UHFFFAOYSA-N 2 2 341.419 1.012 20 0 EDADLP CN(C)c1[nH+]cc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)n1C ZINC000578008287 321706013 /nfs/dbraw/zinc/70/60/13/321706013.db2.gz YXYZFQOCEGRQMT-UHFFFAOYSA-N 2 2 347.385 1.377 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(Cl)c1OCC(N)=O ZINC000322558155 444340340 /nfs/dbraw/zinc/34/03/40/444340340.db2.gz CJPYWVAVBIRWSG-CMPLNLGQSA-N 2 2 341.839 1.524 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc(Cl)c1OCC(N)=O ZINC000322558155 444340341 /nfs/dbraw/zinc/34/03/41/444340341.db2.gz CJPYWVAVBIRWSG-CMPLNLGQSA-N 2 2 341.839 1.524 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297870921 444344443 /nfs/dbraw/zinc/34/44/43/444344443.db2.gz MPSRPYGUIVNSKE-CQSZACIVSA-N 2 2 331.420 1.365 20 0 EDADLP C[C@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000328821850 444364618 /nfs/dbraw/zinc/36/46/18/444364618.db2.gz OYOILFJXMVJMOD-KBXCAEBGSA-N 2 2 336.480 1.370 20 0 EDADLP C[C@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000328821850 444364621 /nfs/dbraw/zinc/36/46/21/444364621.db2.gz OYOILFJXMVJMOD-KBXCAEBGSA-N 2 2 336.480 1.370 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CCn4c[nH+]cc4C3)CC2)cs1 ZINC000290895924 444335847 /nfs/dbraw/zinc/33/58/47/444335847.db2.gz GPYFPHMDUOYEDO-UHFFFAOYSA-N 2 2 345.472 1.902 20 0 EDADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccn(C)n1 ZINC000340505197 444414238 /nfs/dbraw/zinc/41/42/38/444414238.db2.gz MWNSEBJRUIEXFY-ZWKOTPCHSA-N 2 2 328.460 1.880 20 0 EDADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccn(C)n1 ZINC000340505197 444414244 /nfs/dbraw/zinc/41/42/44/444414244.db2.gz MWNSEBJRUIEXFY-ZWKOTPCHSA-N 2 2 328.460 1.880 20 0 EDADLP Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000328941589 444414812 /nfs/dbraw/zinc/41/48/12/444414812.db2.gz IDSAOIPIEDPBQW-HOTGVXAUSA-N 2 2 325.416 1.756 20 0 EDADLP Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000328941589 444414813 /nfs/dbraw/zinc/41/48/13/444414813.db2.gz IDSAOIPIEDPBQW-HOTGVXAUSA-N 2 2 325.416 1.756 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000340482166 444400017 /nfs/dbraw/zinc/40/00/17/444400017.db2.gz WOMGWNKQSVMBPK-RBSFLKMASA-N 2 2 345.447 1.206 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000340482166 444400019 /nfs/dbraw/zinc/40/00/19/444400019.db2.gz WOMGWNKQSVMBPK-RBSFLKMASA-N 2 2 345.447 1.206 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCCn2cc[nH+]c2)n1 ZINC000328627073 444401067 /nfs/dbraw/zinc/40/10/67/444401067.db2.gz FUDJBOQYKOJYKO-GOEBONIOSA-N 2 2 330.436 2.401 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337997995 444482230 /nfs/dbraw/zinc/48/22/30/444482230.db2.gz QVXLJYREGWSWLL-OWCLPIDISA-N 2 2 329.448 1.586 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337997995 444482232 /nfs/dbraw/zinc/48/22/32/444482232.db2.gz QVXLJYREGWSWLL-OWCLPIDISA-N 2 2 329.448 1.586 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)N1CC[NH+](C)CC1 ZINC000338019563 444487992 /nfs/dbraw/zinc/48/79/92/444487992.db2.gz RCSOKHOAKXYGIZ-OAHLLOKOSA-N 2 2 336.505 1.028 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580079986 322007416 /nfs/dbraw/zinc/00/74/16/322007416.db2.gz LKGRHFFFORKUPE-HXUWFJFHSA-N 2 2 343.471 1.735 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCCCC[NH2+]3)c2)CC1 ZINC000580332207 322039115 /nfs/dbraw/zinc/03/91/15/322039115.db2.gz JIHJOQYDTFOUGS-SFHVURJKSA-N 2 2 330.476 1.905 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000580958498 322118083 /nfs/dbraw/zinc/11/80/83/322118083.db2.gz YRHMJBRFGXLZRX-UHFFFAOYSA-N 2 2 336.480 1.365 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000581873457 322226488 /nfs/dbraw/zinc/22/64/88/322226488.db2.gz JJOYWCWZXPYBMW-DLBZAZTESA-N 2 2 343.475 1.869 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000581933643 322234530 /nfs/dbraw/zinc/23/45/30/322234530.db2.gz RJPWXKFZERGTMD-QGZVFWFLSA-N 2 2 331.464 1.426 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000581992277 322241745 /nfs/dbraw/zinc/24/17/45/322241745.db2.gz PUIDCONPIHMJEI-ZIAGYGMSSA-N 2 2 339.509 1.073 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342127275 444522225 /nfs/dbraw/zinc/52/22/25/444522225.db2.gz ASPWLNZADRDSBG-UHFFFAOYSA-N 2 2 332.448 1.578 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)N[C@H](c2nccs2)c2ccccc2)CCC1 ZINC000342126958 444522645 /nfs/dbraw/zinc/52/26/45/444522645.db2.gz KERPRDDPSCPVEA-HNNXBMFYSA-N 2 2 330.457 1.820 20 0 EDADLP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000343705278 444532914 /nfs/dbraw/zinc/53/29/14/444532914.db2.gz BWNBZTVDMBYVAH-WMLDXEAASA-N 2 2 339.505 1.755 20 0 EDADLP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000343705278 444532919 /nfs/dbraw/zinc/53/29/19/444532919.db2.gz BWNBZTVDMBYVAH-WMLDXEAASA-N 2 2 339.505 1.755 20 0 EDADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000342146556 444533995 /nfs/dbraw/zinc/53/39/95/444533995.db2.gz YAXOYFAVRSZFLN-CYBMUJFWSA-N 2 2 330.432 1.611 20 0 EDADLP CCCCc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000338153664 444538690 /nfs/dbraw/zinc/53/86/90/444538690.db2.gz KNZUZUNBQLLQGG-LSDHHAIUSA-N 2 2 349.479 1.492 20 0 EDADLP CCCCc1nc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000338153664 444538693 /nfs/dbraw/zinc/53/86/93/444538693.db2.gz KNZUZUNBQLLQGG-LSDHHAIUSA-N 2 2 349.479 1.492 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000343719435 444543519 /nfs/dbraw/zinc/54/35/19/444543519.db2.gz RTOSYDYOKMIRDV-KYOSRNDESA-N 2 2 332.366 1.985 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000343719435 444543523 /nfs/dbraw/zinc/54/35/23/444543523.db2.gz RTOSYDYOKMIRDV-KYOSRNDESA-N 2 2 332.366 1.985 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cccc3cc[nH]c32)CC1 ZINC000342256513 444592360 /nfs/dbraw/zinc/59/23/60/444592360.db2.gz DEZJEHZGRXDVIL-UHFFFAOYSA-N 2 2 343.475 1.993 20 0 EDADLP Cc1ccsc1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340978577 444612184 /nfs/dbraw/zinc/61/21/84/444612184.db2.gz CHUKQYZZBBYXRW-UHFFFAOYSA-N 2 2 345.534 1.703 20 0 EDADLP Cc1ccsc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340978577 444612188 /nfs/dbraw/zinc/61/21/88/444612188.db2.gz CHUKQYZZBBYXRW-UHFFFAOYSA-N 2 2 345.534 1.703 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000332985363 444621329 /nfs/dbraw/zinc/62/13/29/444621329.db2.gz VSWLHMQQCRHVQK-ZNMIVQPWSA-N 2 2 349.479 1.385 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000332985363 444621333 /nfs/dbraw/zinc/62/13/33/444621333.db2.gz VSWLHMQQCRHVQK-ZNMIVQPWSA-N 2 2 349.479 1.385 20 0 EDADLP Cc1nc(CN2C[C@H](F)C[C@@H]2C[N@H+](C)CCCn2cc[nH+]c2)no1 ZINC000342357564 444653463 /nfs/dbraw/zinc/65/34/63/444653463.db2.gz MZYZEAREMKCUEM-HUUCEWRRSA-N 2 2 336.415 1.509 20 0 EDADLP Cc1nc(CN2C[C@H](F)C[C@@H]2C[N@@H+](C)CCCn2cc[nH+]c2)no1 ZINC000342357564 444653466 /nfs/dbraw/zinc/65/34/66/444653466.db2.gz MZYZEAREMKCUEM-HUUCEWRRSA-N 2 2 336.415 1.509 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000341154460 444700019 /nfs/dbraw/zinc/70/00/19/444700019.db2.gz HDASANKXPJFSDV-UHFFFAOYSA-N 2 2 325.457 1.259 20 0 EDADLP CC[NH+](CC)CCOC1CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000342460264 444700279 /nfs/dbraw/zinc/70/02/79/444700279.db2.gz DZSDDZMMXLOEPG-UHFFFAOYSA-N 2 2 347.507 1.792 20 0 EDADLP CC[NH+](CC)CCOC1CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000342460264 444700282 /nfs/dbraw/zinc/70/02/82/444700282.db2.gz DZSDDZMMXLOEPG-UHFFFAOYSA-N 2 2 347.507 1.792 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC000341215769 444733536 /nfs/dbraw/zinc/73/35/36/444733536.db2.gz QYRDGSCAAIQIFY-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC000341215769 444733541 /nfs/dbraw/zinc/73/35/41/444733541.db2.gz QYRDGSCAAIQIFY-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)[nH+]c2c1 ZINC000333948299 444727184 /nfs/dbraw/zinc/72/71/84/444727184.db2.gz WEXAJBWXSGEIBH-SOUVJXGZSA-N 2 2 327.432 1.830 20 0 EDADLP CN(CCC[N@H+](C)CC(=O)Nc1c(F)cccc1F)CC[NH+](C)C ZINC000344044980 444747422 /nfs/dbraw/zinc/74/74/22/444747422.db2.gz XXUJZDQETONJAV-UHFFFAOYSA-N 2 2 342.434 1.719 20 0 EDADLP CN(CCC[N@@H+](C)CC(=O)Nc1c(F)cccc1F)CC[NH+](C)C ZINC000344044980 444747424 /nfs/dbraw/zinc/74/74/24/444747424.db2.gz XXUJZDQETONJAV-UHFFFAOYSA-N 2 2 342.434 1.719 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCC[N@H+]3CCC[C@@H](C)C3)nc[nH+]2)C1 ZINC000334058786 444765535 /nfs/dbraw/zinc/76/55/35/444765535.db2.gz XJWIDIARENKMIW-OAGGEKHMSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000334082840 444774253 /nfs/dbraw/zinc/77/42/53/444774253.db2.gz LBRRLKUMJVHBHM-JKSUJKDBSA-N 2 2 335.452 1.198 20 0 EDADLP C[C@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000334082840 444774255 /nfs/dbraw/zinc/77/42/55/444774255.db2.gz LBRRLKUMJVHBHM-JKSUJKDBSA-N 2 2 335.452 1.198 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000342687111 444813436 /nfs/dbraw/zinc/81/34/36/444813436.db2.gz LIBOSNFZLBEBGY-BEFAXECRSA-N 2 2 343.471 1.731 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000342687111 444813441 /nfs/dbraw/zinc/81/34/41/444813441.db2.gz LIBOSNFZLBEBGY-BEFAXECRSA-N 2 2 343.471 1.731 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CC[NH2+]CC1(F)F ZINC000342695707 444819789 /nfs/dbraw/zinc/81/97/89/444819789.db2.gz PTMZCXSJXCUOBN-QMMMGPOBSA-N 2 2 326.269 1.306 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1ccoc1 ZINC000342633113 444788793 /nfs/dbraw/zinc/78/87/93/444788793.db2.gz IMYGYRYUOXGZET-OAHLLOKOSA-N 2 2 328.416 1.844 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccoc1 ZINC000342633113 444788797 /nfs/dbraw/zinc/78/87/97/444788797.db2.gz IMYGYRYUOXGZET-OAHLLOKOSA-N 2 2 328.416 1.844 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000336877835 444822989 /nfs/dbraw/zinc/82/29/89/444822989.db2.gz XMJSXCUHONEEMZ-FQEVSTJZSA-N 2 2 330.520 1.529 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000336877835 444822996 /nfs/dbraw/zinc/82/29/96/444822996.db2.gz XMJSXCUHONEEMZ-FQEVSTJZSA-N 2 2 330.520 1.529 20 0 EDADLP CN1CCN(C)[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000336877835 444823000 /nfs/dbraw/zinc/82/30/00/444823000.db2.gz XMJSXCUHONEEMZ-FQEVSTJZSA-N 2 2 330.520 1.529 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000342719840 444833374 /nfs/dbraw/zinc/83/33/74/444833374.db2.gz XXMUHGTWYBADSC-ZNMIVQPWSA-N 2 2 337.489 1.626 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000344204914 444838127 /nfs/dbraw/zinc/83/81/27/444838127.db2.gz BHLAQWRVHRKRBE-QZTJIDSGSA-N 3 2 346.523 1.309 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000344204914 444838129 /nfs/dbraw/zinc/83/81/29/444838129.db2.gz BHLAQWRVHRKRBE-QZTJIDSGSA-N 3 2 346.523 1.309 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000344187832 444829239 /nfs/dbraw/zinc/82/92/39/444829239.db2.gz ORUBBBFLHCRWIP-SFHVURJKSA-N 2 2 346.454 1.649 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000344187832 444829245 /nfs/dbraw/zinc/82/92/45/444829245.db2.gz ORUBBBFLHCRWIP-SFHVURJKSA-N 2 2 346.454 1.649 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000344187832 444829249 /nfs/dbraw/zinc/82/92/49/444829249.db2.gz ORUBBBFLHCRWIP-SFHVURJKSA-N 2 2 346.454 1.649 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000344306513 444892007 /nfs/dbraw/zinc/89/20/07/444892007.db2.gz QBZYMCHGXTZNSU-UHFFFAOYSA-N 2 2 330.476 1.648 20 0 EDADLP C[C@@H]1C[C@H](C)[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000337103093 444944403 /nfs/dbraw/zinc/94/44/03/444944403.db2.gz RAGSWLVXHHAOAA-FSNBDZARSA-N 2 2 335.492 1.569 20 0 EDADLP C[C@@H]1C[C@H](C)[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000337103093 444944405 /nfs/dbraw/zinc/94/44/05/444944405.db2.gz RAGSWLVXHHAOAA-FSNBDZARSA-N 2 2 335.492 1.569 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344423859 444960277 /nfs/dbraw/zinc/96/02/77/444960277.db2.gz HBWZKHIBTSVFQA-LJQANCHMSA-N 2 2 340.471 1.996 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344423859 444960281 /nfs/dbraw/zinc/96/02/81/444960281.db2.gz HBWZKHIBTSVFQA-LJQANCHMSA-N 2 2 340.471 1.996 20 0 EDADLP C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000337319381 445031966 /nfs/dbraw/zinc/03/19/66/445031966.db2.gz AEXVIANUMJKQRN-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000337319381 445031970 /nfs/dbraw/zinc/03/19/70/445031970.db2.gz AEXVIANUMJKQRN-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP OCCN1CC[NH+](CCCCNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000339057471 445012198 /nfs/dbraw/zinc/01/21/98/445012198.db2.gz VINCMSWFNPJUDW-UHFFFAOYSA-N 2 2 346.397 1.902 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000330522970 445017730 /nfs/dbraw/zinc/01/77/30/445017730.db2.gz JDJNGGSQYCPQOH-IXDOHACOSA-N 2 2 346.475 1.069 20 0 EDADLP CN(C(=O)c1c[nH]cn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339163767 445067598 /nfs/dbraw/zinc/06/75/98/445067598.db2.gz FSYSUCOMYBCYHD-DLBZAZTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1c[nH]cn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339163767 445067599 /nfs/dbraw/zinc/06/75/99/445067599.db2.gz FSYSUCOMYBCYHD-DLBZAZTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1cnc[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339163767 445067600 /nfs/dbraw/zinc/06/76/00/445067600.db2.gz FSYSUCOMYBCYHD-DLBZAZTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1cnc[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339163767 445067601 /nfs/dbraw/zinc/06/76/01/445067601.db2.gz FSYSUCOMYBCYHD-DLBZAZTESA-N 2 2 333.480 1.819 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000344692932 445130698 /nfs/dbraw/zinc/13/06/98/445130698.db2.gz ARAKTCYDYNTCSV-GMBSWORKSA-N 2 2 336.476 1.785 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](CO)Cc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000344692932 445130702 /nfs/dbraw/zinc/13/07/02/445130702.db2.gz ARAKTCYDYNTCSV-GMBSWORKSA-N 2 2 336.476 1.785 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000344697559 445133027 /nfs/dbraw/zinc/13/30/27/445133027.db2.gz LJICMFXQMRYGDY-DOTOQJQBSA-N 3 2 338.540 1.543 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000344697559 445133031 /nfs/dbraw/zinc/13/30/31/445133031.db2.gz LJICMFXQMRYGDY-DOTOQJQBSA-N 3 2 338.540 1.543 20 0 EDADLP CC[C@@H](C(=O)NC1CC[NH+](CCOC)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339248180 445113950 /nfs/dbraw/zinc/11/39/50/445113950.db2.gz HSCCHWASFICZHG-IRXDYDNUSA-N 2 2 341.496 1.103 20 0 EDADLP CC[C@@H](C(=O)NC1CC[NH+](CCOC)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339248180 445113953 /nfs/dbraw/zinc/11/39/53/445113953.db2.gz HSCCHWASFICZHG-IRXDYDNUSA-N 2 2 341.496 1.103 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccnn3C3CCCC3)C[C@@H]21 ZINC000342077363 445159670 /nfs/dbraw/zinc/15/96/70/445159670.db2.gz BJSJQZQHLCXBSK-VNQPRFMTSA-N 2 2 331.464 1.996 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccnn3C3CCCC3)C[C@@H]21 ZINC000342077363 445159673 /nfs/dbraw/zinc/15/96/73/445159673.db2.gz BJSJQZQHLCXBSK-VNQPRFMTSA-N 2 2 331.464 1.996 20 0 EDADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C[C@@H](C)C1 ZINC000346175811 445207361 /nfs/dbraw/zinc/20/73/61/445207361.db2.gz DLRZXVCXSPONSC-JKQORVJESA-N 2 2 333.480 1.212 20 0 EDADLP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C[C@@H](C)C1 ZINC000346175811 445207362 /nfs/dbraw/zinc/20/73/62/445207362.db2.gz DLRZXVCXSPONSC-JKQORVJESA-N 2 2 333.480 1.212 20 0 EDADLP COC(=O)c1occc1CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000343378132 445212753 /nfs/dbraw/zinc/21/27/53/445212753.db2.gz VIBJTRJUIHYCPJ-UHFFFAOYSA-N 2 2 330.388 1.825 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000343484672 445231867 /nfs/dbraw/zinc/23/18/67/445231867.db2.gz WKEFKYZYWKPCHD-BEFAXECRSA-N 2 2 345.487 1.816 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000343484672 445231869 /nfs/dbraw/zinc/23/18/69/445231869.db2.gz WKEFKYZYWKPCHD-BEFAXECRSA-N 2 2 345.487 1.816 20 0 EDADLP Cc1n[nH]cc1C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000348544916 445322100 /nfs/dbraw/zinc/32/21/00/445322100.db2.gz BXSFOGNLAHVRHM-UHFFFAOYSA-N 2 2 327.476 1.968 20 0 EDADLP Cc1n[nH]cc1C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000348544916 445322101 /nfs/dbraw/zinc/32/21/01/445322101.db2.gz BXSFOGNLAHVRHM-UHFFFAOYSA-N 2 2 327.476 1.968 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCSC1 ZINC000354509343 445270326 /nfs/dbraw/zinc/27/03/26/445270326.db2.gz KXEKAXFZRZITDY-NVXWUHKLSA-N 2 2 341.521 1.183 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCSC1 ZINC000354509343 445270329 /nfs/dbraw/zinc/27/03/29/445270329.db2.gz KXEKAXFZRZITDY-NVXWUHKLSA-N 2 2 341.521 1.183 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)C2CC[NH+](CC(F)F)CC2)CCSC1 ZINC000354512195 445271852 /nfs/dbraw/zinc/27/18/52/445271852.db2.gz NYTKHISQXLLQRL-OAHLLOKOSA-N 2 2 335.464 1.517 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2=O)c[nH+]1 ZINC000354516254 445274118 /nfs/dbraw/zinc/27/41/18/445274118.db2.gz UWUZHQFMKRMNTI-QGZVFWFLSA-N 2 2 327.432 1.841 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348115367 445275585 /nfs/dbraw/zinc/27/55/85/445275585.db2.gz JACWUWABGQZQHT-HZPDHXFCSA-N 3 2 334.443 1.469 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348115367 445275588 /nfs/dbraw/zinc/27/55/88/445275588.db2.gz JACWUWABGQZQHT-HZPDHXFCSA-N 3 2 334.443 1.469 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000348269249 445333022 /nfs/dbraw/zinc/33/30/22/445333022.db2.gz DCTVDUQHLHIXDE-HNNXBMFYSA-N 2 2 348.447 1.269 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000348269249 445333024 /nfs/dbraw/zinc/33/30/24/445333024.db2.gz DCTVDUQHLHIXDE-HNNXBMFYSA-N 2 2 348.447 1.269 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000348269249 445333027 /nfs/dbraw/zinc/33/30/27/445333027.db2.gz DCTVDUQHLHIXDE-HNNXBMFYSA-N 2 2 348.447 1.269 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000348269249 445333031 /nfs/dbraw/zinc/33/30/31/445333031.db2.gz DCTVDUQHLHIXDE-HNNXBMFYSA-N 2 2 348.447 1.269 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000351850171 445342871 /nfs/dbraw/zinc/34/28/71/445342871.db2.gz IDRGAHVZMYUCML-CABCVRRESA-N 3 2 336.505 1.061 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000351850171 445342874 /nfs/dbraw/zinc/34/28/74/445342874.db2.gz IDRGAHVZMYUCML-CABCVRRESA-N 3 2 336.505 1.061 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000351863985 445347191 /nfs/dbraw/zinc/34/71/91/445347191.db2.gz WOUIKVZIIOWSIZ-CHWSQXEVSA-N 2 2 337.493 1.347 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)CCn2c(C)[nH+]c3ccccc32)[N@H+](C)C1 ZINC000348706471 445349659 /nfs/dbraw/zinc/34/96/59/445349659.db2.gz UWAXOCHDMAQIFP-HOTGVXAUSA-N 2 2 344.459 1.912 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)CCn2c(C)[nH+]c3ccccc32)[N@@H+](C)C1 ZINC000348706471 445349661 /nfs/dbraw/zinc/34/96/61/445349661.db2.gz UWAXOCHDMAQIFP-HOTGVXAUSA-N 2 2 344.459 1.912 20 0 EDADLP CO[C@@]1(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCOC1 ZINC000359646518 445355180 /nfs/dbraw/zinc/35/51/80/445355180.db2.gz AFGMBCRGGSFDGN-MRXNPFEDSA-N 2 2 325.478 1.805 20 0 EDADLP CO[C@@]1(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCOC1 ZINC000359646518 445355182 /nfs/dbraw/zinc/35/51/82/445355182.db2.gz AFGMBCRGGSFDGN-MRXNPFEDSA-N 2 2 325.478 1.805 20 0 EDADLP C[C@@H]1CN(c2ncnc3nc(N)ccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354736528 445358050 /nfs/dbraw/zinc/35/80/50/445358050.db2.gz SNJWKSKNNFXBND-CYBMUJFWSA-N 2 2 341.463 1.212 20 0 EDADLP C[C@@H]1CN(c2ncnc3nc(N)ccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354736528 445358055 /nfs/dbraw/zinc/35/80/55/445358055.db2.gz SNJWKSKNNFXBND-CYBMUJFWSA-N 2 2 341.463 1.212 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCC1(F)F ZINC000352003862 445431271 /nfs/dbraw/zinc/43/12/71/445431271.db2.gz AQIJBQOPHIDGOC-CYBMUJFWSA-N 2 2 333.423 1.191 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357082255 445415212 /nfs/dbraw/zinc/41/52/12/445415212.db2.gz HLKVBMMPLWGIPF-CVEARBPZSA-N 2 2 333.501 1.745 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357082255 445415213 /nfs/dbraw/zinc/41/52/13/445415213.db2.gz HLKVBMMPLWGIPF-CVEARBPZSA-N 2 2 333.501 1.745 20 0 EDADLP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354853089 445426070 /nfs/dbraw/zinc/42/60/70/445426070.db2.gz KMFADCKSTJLKCI-OWCLPIDISA-N 2 2 326.460 1.983 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000354858085 445428969 /nfs/dbraw/zinc/42/89/69/445428969.db2.gz NNZZHYQCCOVSLS-AAEUAGOBSA-N 2 2 342.369 1.714 20 0 EDADLP CSC1(CNC(=O)N[C@H](C)Cn2cc[nH+]c2)CC[NH+](C)CC1 ZINC000357047547 445393941 /nfs/dbraw/zinc/39/39/41/445393941.db2.gz JTAZXSJDOZEOND-CYBMUJFWSA-N 2 2 325.482 1.398 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000352169851 445513064 /nfs/dbraw/zinc/51/30/64/445513064.db2.gz IIWOXGJBDYAZSN-QZTJIDSGSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000352169851 445513068 /nfs/dbraw/zinc/51/30/68/445513068.db2.gz IIWOXGJBDYAZSN-QZTJIDSGSA-N 2 2 335.492 1.574 20 0 EDADLP C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362712173 445514139 /nfs/dbraw/zinc/51/41/39/445514139.db2.gz VEACDEXKXQLWKD-GDBMZVCRSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362712173 445514142 /nfs/dbraw/zinc/51/41/42/445514142.db2.gz VEACDEXKXQLWKD-GDBMZVCRSA-N 2 2 349.450 1.878 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)N(C)CC[NH+](C)C)c2)cc[nH+]1 ZINC000349196839 445533286 /nfs/dbraw/zinc/53/32/86/445533286.db2.gz GXLYGLZDOIFABM-UHFFFAOYSA-N 2 2 327.432 2.031 20 0 EDADLP COc1cccc(Cl)c1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362677008 445494190 /nfs/dbraw/zinc/49/41/90/445494190.db2.gz WRBGGSXQSWGIMR-ZDUSSCGKSA-N 2 2 337.851 1.745 20 0 EDADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362677008 445494195 /nfs/dbraw/zinc/49/41/95/445494195.db2.gz WRBGGSXQSWGIMR-ZDUSSCGKSA-N 2 2 337.851 1.745 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)CC)CC2)CC1 ZINC000362687327 445501146 /nfs/dbraw/zinc/50/11/46/445501146.db2.gz JIDUYKBTETWKAU-IRXDYDNUSA-N 2 2 338.540 1.782 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000359952933 445502013 /nfs/dbraw/zinc/50/20/13/445502013.db2.gz RKSKWJYLIKHAQJ-HOCLYGCPSA-N 2 2 347.459 1.405 20 0 EDADLP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000362796408 445553902 /nfs/dbraw/zinc/55/39/02/445553902.db2.gz UUOUNQSJYGMYBU-CQSZACIVSA-N 2 2 328.420 1.551 20 0 EDADLP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000362796408 445553903 /nfs/dbraw/zinc/55/39/03/445553903.db2.gz UUOUNQSJYGMYBU-CQSZACIVSA-N 2 2 328.420 1.551 20 0 EDADLP CCc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362836496 445573523 /nfs/dbraw/zinc/57/35/23/445573523.db2.gz HHALZMXBCFUFFH-QGZVFWFLSA-N 2 2 344.459 1.084 20 0 EDADLP CCc1cccc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362836496 445573524 /nfs/dbraw/zinc/57/35/24/445573524.db2.gz HHALZMXBCFUFFH-QGZVFWFLSA-N 2 2 344.459 1.084 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352558134 445538058 /nfs/dbraw/zinc/53/80/58/445538058.db2.gz VHLZIYWOUIIOSE-GPANFISMSA-N 2 2 325.497 1.865 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352558134 445538062 /nfs/dbraw/zinc/53/80/62/445538062.db2.gz VHLZIYWOUIIOSE-GPANFISMSA-N 2 2 325.497 1.865 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000355945445 445539933 /nfs/dbraw/zinc/53/99/33/445539933.db2.gz XFINNEFPAMHBET-CABCVRRESA-N 2 2 332.448 1.317 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000360172042 445611011 /nfs/dbraw/zinc/61/10/11/445611011.db2.gz VKQRBTAESDJAEM-RDJZCZTQSA-N 2 2 335.448 1.135 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000360172042 445611014 /nfs/dbraw/zinc/61/10/14/445611014.db2.gz VKQRBTAESDJAEM-RDJZCZTQSA-N 2 2 335.448 1.135 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000358531748 445636752 /nfs/dbraw/zinc/63/67/52/445636752.db2.gz VMBNOHPLUVSPLN-OAHLLOKOSA-N 2 2 347.507 1.454 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(C(C)(C)C)on3)C2)CC1 ZINC000363053492 445661947 /nfs/dbraw/zinc/66/19/47/445661947.db2.gz LRKFJTMMRWRMSC-ZDUSSCGKSA-N 2 2 334.464 1.870 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(C(C)(C)C)on3)C2)CC1 ZINC000363053492 445661951 /nfs/dbraw/zinc/66/19/51/445661951.db2.gz LRKFJTMMRWRMSC-ZDUSSCGKSA-N 2 2 334.464 1.870 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353574307 445662739 /nfs/dbraw/zinc/66/27/39/445662739.db2.gz XBCQBLFDIBBMCJ-QAPCUYQASA-N 2 2 344.463 1.056 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353574307 445662743 /nfs/dbraw/zinc/66/27/43/445662743.db2.gz XBCQBLFDIBBMCJ-QAPCUYQASA-N 2 2 344.463 1.056 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[N@@H+]1CCO[C@H](CC)C1 ZINC000356212178 445678531 /nfs/dbraw/zinc/67/85/31/445678531.db2.gz GBHNNLISPOAJBQ-ZIFCJYIRSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[N@H+]1CCO[C@H](CC)C1 ZINC000356212178 445678534 /nfs/dbraw/zinc/67/85/34/445678534.db2.gz GBHNNLISPOAJBQ-ZIFCJYIRSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+]1CCO[C@H](CC)C1 ZINC000356212178 445678536 /nfs/dbraw/zinc/67/85/36/445678536.db2.gz GBHNNLISPOAJBQ-ZIFCJYIRSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCO[C@H](CC)C1 ZINC000356212178 445678539 /nfs/dbraw/zinc/67/85/39/445678539.db2.gz GBHNNLISPOAJBQ-ZIFCJYIRSA-N 2 2 337.508 1.820 20 0 EDADLP CCOCCCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000356230713 445688552 /nfs/dbraw/zinc/68/85/52/445688552.db2.gz SMDBARGBAZYFTJ-UHFFFAOYSA-N 2 2 328.501 1.471 20 0 EDADLP CCOCCCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000356230713 445688556 /nfs/dbraw/zinc/68/85/56/445688556.db2.gz SMDBARGBAZYFTJ-UHFFFAOYSA-N 2 2 328.501 1.471 20 0 EDADLP O=C(C[NH2+]Cc1ncc(Cl)s1)NCC[NH+]1CCCCCC1 ZINC000353669401 445700299 /nfs/dbraw/zinc/70/02/99/445700299.db2.gz IYRJKXARKVATKZ-UHFFFAOYSA-N 2 2 330.885 1.878 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360562709 445713670 /nfs/dbraw/zinc/71/36/70/445713670.db2.gz MZLUNWOWVXEGCH-LIRRHRJNSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360562709 445713675 /nfs/dbraw/zinc/71/36/75/445713675.db2.gz MZLUNWOWVXEGCH-LIRRHRJNSA-N 2 2 345.443 1.860 20 0 EDADLP O=C(C[N@@H+]1CCCOCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000363202205 445718259 /nfs/dbraw/zinc/71/82/59/445718259.db2.gz OBRGICGISLIMOD-UHFFFAOYSA-N 2 2 349.500 1.896 20 0 EDADLP O=C(C[N@H+]1CCCOCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000363202205 445718266 /nfs/dbraw/zinc/71/82/66/445718266.db2.gz OBRGICGISLIMOD-UHFFFAOYSA-N 2 2 349.500 1.896 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C2)C1 ZINC000356311704 445729580 /nfs/dbraw/zinc/72/95/80/445729580.db2.gz KIWRVUMZPOXJPG-IEBWSBKVSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C2)C1 ZINC000356311704 445729585 /nfs/dbraw/zinc/72/95/85/445729585.db2.gz KIWRVUMZPOXJPG-IEBWSBKVSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)C1 ZINC000356311704 445729590 /nfs/dbraw/zinc/72/95/90/445729590.db2.gz KIWRVUMZPOXJPG-IEBWSBKVSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)C1 ZINC000356311704 445729593 /nfs/dbraw/zinc/72/95/93/445729593.db2.gz KIWRVUMZPOXJPG-IEBWSBKVSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCc3cn4ccccc4[nH+]3)cc2C1 ZINC000349945804 445729857 /nfs/dbraw/zinc/72/98/57/445729857.db2.gz IIFPMOJOUKSHRB-UHFFFAOYSA-N 2 2 349.394 1.535 20 0 EDADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCc3cn4ccccc4[nH+]3)cc2C1 ZINC000349945804 445729861 /nfs/dbraw/zinc/72/98/61/445729861.db2.gz IIFPMOJOUKSHRB-UHFFFAOYSA-N 2 2 349.394 1.535 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000360893146 445737671 /nfs/dbraw/zinc/73/76/71/445737671.db2.gz ADNZMJCQTQBQKW-GJZGRUSLSA-N 2 2 325.497 1.865 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000360893146 445737675 /nfs/dbraw/zinc/73/76/75/445737675.db2.gz ADNZMJCQTQBQKW-GJZGRUSLSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C1CC1 ZINC000356360984 445752355 /nfs/dbraw/zinc/75/23/55/445752355.db2.gz XPYSZYOBISZWLO-HNNXBMFYSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C1CC1 ZINC000356360984 445752358 /nfs/dbraw/zinc/75/23/58/445752358.db2.gz XPYSZYOBISZWLO-HNNXBMFYSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H](CNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000356360984 445752361 /nfs/dbraw/zinc/75/23/61/445752361.db2.gz XPYSZYOBISZWLO-HNNXBMFYSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H](CNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000356360984 445752365 /nfs/dbraw/zinc/75/23/65/445752365.db2.gz XPYSZYOBISZWLO-HNNXBMFYSA-N 3 2 339.528 1.137 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000350077296 445763280 /nfs/dbraw/zinc/76/32/80/445763280.db2.gz QZANXUTZVHMELK-MRXNPFEDSA-N 2 2 334.464 1.701 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCOC1 ZINC000361577669 445828369 /nfs/dbraw/zinc/82/83/69/445828369.db2.gz NPDHGLVZVMONOT-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCOC1 ZINC000361577669 445828373 /nfs/dbraw/zinc/82/83/73/445828373.db2.gz NPDHGLVZVMONOT-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000361505090 445792645 /nfs/dbraw/zinc/79/26/45/445792645.db2.gz JOWOWOFTOWYEPO-QGZVFWFLSA-N 2 2 347.503 1.767 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000361505090 445792646 /nfs/dbraw/zinc/79/26/46/445792646.db2.gz JOWOWOFTOWYEPO-QGZVFWFLSA-N 2 2 347.503 1.767 20 0 EDADLP COCC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[NH2+]CC1 ZINC000358858412 445815017 /nfs/dbraw/zinc/81/50/17/445815017.db2.gz RHUPCJHPRWPEQX-UHFFFAOYSA-N 2 2 342.443 1.564 20 0 EDADLP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])CCS(C)(=O)=O)n2)cc1 ZINC000350724235 445888001 /nfs/dbraw/zinc/88/80/01/445888001.db2.gz IWVJSYPOLSNNLM-ZDUSSCGKSA-N 2 2 338.433 1.233 20 0 EDADLP Cc1ccc(CCC[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c[nH+]1 ZINC000354133525 445931963 /nfs/dbraw/zinc/93/19/63/445931963.db2.gz GRSCJXAYHDDJMK-SFHVURJKSA-N 3 2 332.492 1.855 20 0 EDADLP Cc1ccc(CCC[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c[nH+]1 ZINC000354133525 445931968 /nfs/dbraw/zinc/93/19/68/445931968.db2.gz GRSCJXAYHDDJMK-SFHVURJKSA-N 3 2 332.492 1.855 20 0 EDADLP C[C@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@@H]1[NH+](C)C ZINC000350872899 445936244 /nfs/dbraw/zinc/93/62/44/445936244.db2.gz YPXVZLUVHODHIZ-HOCLYGCPSA-N 2 2 333.480 1.041 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000372899087 445910301 /nfs/dbraw/zinc/91/03/01/445910301.db2.gz HULVHBLOZSRMLM-DDUZABMNSA-N 2 2 334.464 1.688 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(c3c[nH+]ccc3C)CC1)CC2 ZINC000582491314 325858963 /nfs/dbraw/zinc/85/89/63/325858963.db2.gz ZVRBDWGYXVNGBR-MRXNPFEDSA-N 2 2 339.443 1.806 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366078369 445998878 /nfs/dbraw/zinc/99/88/78/445998878.db2.gz LKCSBKSKGQVBRW-ROUUACIJSA-N 2 2 346.475 1.452 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000366078369 445998884 /nfs/dbraw/zinc/99/88/84/445998884.db2.gz LKCSBKSKGQVBRW-ROUUACIJSA-N 2 2 346.475 1.452 20 0 EDADLP C[NH+]1CCC(CCO)(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000354146484 445944532 /nfs/dbraw/zinc/94/45/32/445944532.db2.gz CDCBMNVWZUWKMB-UHFFFAOYSA-N 2 2 328.416 1.449 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(C(C)(C)C)n[nH]3)C2)CC1 ZINC000369273551 446038405 /nfs/dbraw/zinc/03/84/05/446038405.db2.gz HLOZLZROFUDVKN-CYBMUJFWSA-N 2 2 333.480 1.606 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(C(C)(C)C)n[nH]3)C2)CC1 ZINC000369273551 446038411 /nfs/dbraw/zinc/03/84/11/446038411.db2.gz HLOZLZROFUDVKN-CYBMUJFWSA-N 2 2 333.480 1.606 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3=Cc4ccccc4OC3)C2)CC1 ZINC000369275109 446039826 /nfs/dbraw/zinc/03/98/26/446039826.db2.gz VQITWCJMRLAGEM-KRWDZBQOSA-N 2 2 341.455 1.747 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3=Cc4ccccc4OC3)C2)CC1 ZINC000369275109 446039830 /nfs/dbraw/zinc/03/98/30/446039830.db2.gz VQITWCJMRLAGEM-KRWDZBQOSA-N 2 2 341.455 1.747 20 0 EDADLP CCOC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(C)C ZINC000365067564 446003762 /nfs/dbraw/zinc/00/37/62/446003762.db2.gz IFEWODHHPCLNCC-SFHVURJKSA-N 2 2 327.513 1.434 20 0 EDADLP CCOC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(C)C ZINC000365067564 446003771 /nfs/dbraw/zinc/00/37/71/446003771.db2.gz IFEWODHHPCLNCC-SFHVURJKSA-N 2 2 327.513 1.434 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC000583128574 326006105 /nfs/dbraw/zinc/00/61/05/326006105.db2.gz PQOYAHYGKHUXRD-UHFFFAOYSA-N 2 2 341.459 1.140 20 0 EDADLP CC(C)[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000361899084 446049760 /nfs/dbraw/zinc/04/97/60/446049760.db2.gz GOXWERFOSIVTPC-IBGZPJMESA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000361899084 446049766 /nfs/dbraw/zinc/04/97/66/446049766.db2.gz GOXWERFOSIVTPC-IBGZPJMESA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000361899084 446049772 /nfs/dbraw/zinc/04/97/72/446049772.db2.gz GOXWERFOSIVTPC-IBGZPJMESA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000361899084 446049779 /nfs/dbraw/zinc/04/97/79/446049779.db2.gz GOXWERFOSIVTPC-IBGZPJMESA-N 2 2 345.487 1.876 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2cccc(OC)c2)CC1 ZINC000583572634 326098240 /nfs/dbraw/zinc/09/82/40/326098240.db2.gz SAXRDHYAYVSJRP-SFHVURJKSA-N 2 2 334.460 1.723 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000583572634 326098243 /nfs/dbraw/zinc/09/82/43/326098243.db2.gz SAXRDHYAYVSJRP-SFHVURJKSA-N 2 2 334.460 1.723 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000583572634 326098244 /nfs/dbraw/zinc/09/82/44/326098244.db2.gz SAXRDHYAYVSJRP-SFHVURJKSA-N 2 2 334.460 1.723 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/c2ccn(C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000365173454 446065957 /nfs/dbraw/zinc/06/59/57/446065957.db2.gz ULLYGUBRAKMTGX-DWTRPJMMSA-N 2 2 330.476 1.665 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/c2ccn(C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000365173454 446065963 /nfs/dbraw/zinc/06/59/63/446065963.db2.gz ULLYGUBRAKMTGX-DWTRPJMMSA-N 2 2 330.476 1.665 20 0 EDADLP CC(C)c1nc([C@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000373155132 446063514 /nfs/dbraw/zinc/06/35/14/446063514.db2.gz WOHYFABLIXVIII-AWEZNQCLSA-N 2 2 335.452 1.146 20 0 EDADLP CC(C)c1nc([C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000373155132 446063516 /nfs/dbraw/zinc/06/35/16/446063516.db2.gz WOHYFABLIXVIII-AWEZNQCLSA-N 2 2 335.452 1.146 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000584173387 326213915 /nfs/dbraw/zinc/21/39/15/326213915.db2.gz ZSTUJPDJXABNGY-UHFFFAOYSA-N 2 2 345.365 1.439 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000584280114 326233862 /nfs/dbraw/zinc/23/38/62/326233862.db2.gz RSEYTEWSEITZPZ-UHFFFAOYSA-N 2 2 348.447 1.401 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000584280114 326233864 /nfs/dbraw/zinc/23/38/64/326233864.db2.gz RSEYTEWSEITZPZ-UHFFFAOYSA-N 2 2 348.447 1.401 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)ccc2n1C ZINC000584281814 326234565 /nfs/dbraw/zinc/23/45/65/326234565.db2.gz QOWJXZGXUKZIJY-UHFFFAOYSA-N 2 2 329.404 1.031 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@@H](O)c1ccccc1 ZINC000361929842 446078865 /nfs/dbraw/zinc/07/88/65/446078865.db2.gz SRELKFHHEYBICH-BHIYHBOVSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@H](O)c1ccccc1 ZINC000361929842 446078871 /nfs/dbraw/zinc/07/88/71/446078871.db2.gz SRELKFHHEYBICH-BHIYHBOVSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000361929842 446078877 /nfs/dbraw/zinc/07/88/77/446078877.db2.gz SRELKFHHEYBICH-BHIYHBOVSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000361929842 446078883 /nfs/dbraw/zinc/07/88/83/446078883.db2.gz SRELKFHHEYBICH-BHIYHBOVSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CN1CCOCC1 ZINC000356864917 446079745 /nfs/dbraw/zinc/07/97/45/446079745.db2.gz CMCSPXJARLUDTR-CQSZACIVSA-N 2 2 337.430 1.961 20 0 EDADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000354348497 446132256 /nfs/dbraw/zinc/13/22/56/446132256.db2.gz OJBFJMPPAZTYSO-QGZVFWFLSA-N 2 2 344.463 1.060 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359303406 446136662 /nfs/dbraw/zinc/13/66/62/446136662.db2.gz JQUKJLZKNRFZHU-AJNGGQMLSA-N 2 2 347.459 1.421 20 0 EDADLP CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000365254947 446103622 /nfs/dbraw/zinc/10/36/22/446103622.db2.gz JIFKXKCXMPJULY-KRWDZBQOSA-N 2 2 348.472 1.694 20 0 EDADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000365254947 446103625 /nfs/dbraw/zinc/10/36/25/446103625.db2.gz JIFKXKCXMPJULY-KRWDZBQOSA-N 2 2 348.472 1.694 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](O)c3ccccc3)C2)CC1 ZINC000369368766 446109356 /nfs/dbraw/zinc/10/93/56/446109356.db2.gz DNMUZWPZBZIZRQ-SJLPKXTDSA-N 2 2 346.475 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](O)c3ccccc3)C2)CC1 ZINC000369368766 446109359 /nfs/dbraw/zinc/10/93/59/446109359.db2.gz DNMUZWPZBZIZRQ-SJLPKXTDSA-N 2 2 346.475 1.188 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000369371921 446110535 /nfs/dbraw/zinc/11/05/35/446110535.db2.gz ZMNHOFCZZFTKBS-HLLBOEOZSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000369371921 446110541 /nfs/dbraw/zinc/11/05/41/446110541.db2.gz ZMNHOFCZZFTKBS-HLLBOEOZSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000369890461 446165356 /nfs/dbraw/zinc/16/53/56/446165356.db2.gz YALMVFGUIAXHRC-HZPDHXFCSA-N 2 2 349.479 1.102 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000365401206 446190007 /nfs/dbraw/zinc/19/00/07/446190007.db2.gz QSLQPVNDCCVQQP-UHFFFAOYSA-N 2 2 328.416 1.661 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000365401206 446190013 /nfs/dbraw/zinc/19/00/13/446190013.db2.gz QSLQPVNDCCVQQP-UHFFFAOYSA-N 2 2 328.416 1.661 20 0 EDADLP CC[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369790958 446155009 /nfs/dbraw/zinc/15/50/09/446155009.db2.gz PFXPBXKZJNJXLC-HOCLYGCPSA-N 2 2 340.537 1.692 20 0 EDADLP CC[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369790958 446155014 /nfs/dbraw/zinc/15/50/14/446155014.db2.gz PFXPBXKZJNJXLC-HOCLYGCPSA-N 2 2 340.537 1.692 20 0 EDADLP Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000359407557 446206120 /nfs/dbraw/zinc/20/61/20/446206120.db2.gz GLOYSNQHOGFTAL-UHFFFAOYSA-N 2 2 331.420 1.565 20 0 EDADLP C[C@@H](Sc1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370323554 446230223 /nfs/dbraw/zinc/23/02/23/446230223.db2.gz FUMYLTIOVRFOFY-CABCVRRESA-N 2 2 348.516 1.847 20 0 EDADLP C[C@@H](Sc1ccccn1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370323554 446230228 /nfs/dbraw/zinc/23/02/28/446230228.db2.gz FUMYLTIOVRFOFY-CABCVRRESA-N 2 2 348.516 1.847 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2COCC[NH+]2CC)CC1 ZINC000370328570 446232569 /nfs/dbraw/zinc/23/25/69/446232569.db2.gz XSVGPMMWIQZEIF-KRWDZBQOSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2COCC[NH+]2CC)CC1 ZINC000370328570 446232574 /nfs/dbraw/zinc/23/25/74/446232574.db2.gz XSVGPMMWIQZEIF-KRWDZBQOSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC)CC1 ZINC000370328570 446232578 /nfs/dbraw/zinc/23/25/78/446232578.db2.gz XSVGPMMWIQZEIF-KRWDZBQOSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2COCC[N@H+]2CC)CC1 ZINC000370328570 446232582 /nfs/dbraw/zinc/23/25/82/446232582.db2.gz XSVGPMMWIQZEIF-KRWDZBQOSA-N 2 2 325.497 1.678 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365544516 446248136 /nfs/dbraw/zinc/24/81/36/446248136.db2.gz GEBGFSPFVOWOHQ-NEWSRXKRSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365544516 446248141 /nfs/dbraw/zinc/24/81/41/446248141.db2.gz GEBGFSPFVOWOHQ-NEWSRXKRSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365544516 446248145 /nfs/dbraw/zinc/24/81/45/446248145.db2.gz GEBGFSPFVOWOHQ-NEWSRXKRSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365544516 446248149 /nfs/dbraw/zinc/24/81/49/446248149.db2.gz GEBGFSPFVOWOHQ-NEWSRXKRSA-N 2 2 343.471 1.728 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000366562104 446262538 /nfs/dbraw/zinc/26/25/38/446262538.db2.gz VEGUVHOZQIDNRK-HZPDHXFCSA-N 2 2 334.464 1.718 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000365650152 446287569 /nfs/dbraw/zinc/28/75/69/446287569.db2.gz QRUXCPDMDJZTLS-AWEZNQCLSA-N 2 2 338.411 1.896 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000365650152 446287576 /nfs/dbraw/zinc/28/75/76/446287576.db2.gz QRUXCPDMDJZTLS-AWEZNQCLSA-N 2 2 338.411 1.896 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000366705852 446316301 /nfs/dbraw/zinc/31/63/01/446316301.db2.gz ALKMWNZKOBYWRQ-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000366705852 446316303 /nfs/dbraw/zinc/31/63/03/446316303.db2.gz ALKMWNZKOBYWRQ-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000366705852 446316304 /nfs/dbraw/zinc/31/63/04/446316304.db2.gz ALKMWNZKOBYWRQ-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000366705852 446316305 /nfs/dbraw/zinc/31/63/05/446316305.db2.gz ALKMWNZKOBYWRQ-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP Cc1ccc(NC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000362338481 446325319 /nfs/dbraw/zinc/32/53/19/446325319.db2.gz BIDXRIZGTWVNJK-UHFFFAOYSA-N 2 2 330.476 1.645 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+]1CC1CCC2(CC1)OCCO2 ZINC000373812181 446335574 /nfs/dbraw/zinc/33/55/74/446335574.db2.gz KKRLZWGNQNWUIC-MSOLQXFVSA-N 2 2 338.492 1.841 20 0 EDADLP OC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+]1CC1CCC2(CC1)OCCO2 ZINC000373812181 446335578 /nfs/dbraw/zinc/33/55/78/446335578.db2.gz KKRLZWGNQNWUIC-MSOLQXFVSA-N 2 2 338.492 1.841 20 0 EDADLP OC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000373812181 446335582 /nfs/dbraw/zinc/33/55/82/446335582.db2.gz KKRLZWGNQNWUIC-MSOLQXFVSA-N 2 2 338.492 1.841 20 0 EDADLP OC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000373812181 446335585 /nfs/dbraw/zinc/33/55/85/446335585.db2.gz KKRLZWGNQNWUIC-MSOLQXFVSA-N 2 2 338.492 1.841 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000417959588 446400191 /nfs/dbraw/zinc/40/01/91/446400191.db2.gz WNLWUXFPKAWKPS-HFBAOOFYSA-N 2 2 338.402 1.713 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000417959588 446400193 /nfs/dbraw/zinc/40/01/93/446400193.db2.gz WNLWUXFPKAWKPS-HFBAOOFYSA-N 2 2 338.402 1.713 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CCn3c[nH+]cc3C2)n1 ZINC000370678220 446382766 /nfs/dbraw/zinc/38/27/66/446382766.db2.gz VEEBHLFRZMVLTG-WBVHZDCISA-N 2 2 342.447 2.309 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411229525 446432146 /nfs/dbraw/zinc/43/21/46/446432146.db2.gz USRFXOGDMFODNM-ZWKOTPCHSA-N 2 2 331.435 1.922 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411255319 446447859 /nfs/dbraw/zinc/44/78/59/446447859.db2.gz PCNHASVPIBQIBX-AWEZNQCLSA-N 2 2 329.404 1.071 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411255319 446447866 /nfs/dbraw/zinc/44/78/66/446447866.db2.gz PCNHASVPIBQIBX-AWEZNQCLSA-N 2 2 329.404 1.071 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3ncc(Cl)n3C)CCC[N@@H+]2C)cn1 ZINC000366928208 446414135 /nfs/dbraw/zinc/41/41/35/446414135.db2.gz RXADYRKZWFNRAB-BLLLJJGKSA-N 2 2 336.871 1.980 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3ncc(Cl)n3C)CCC[N@H+]2C)cn1 ZINC000366928208 446414138 /nfs/dbraw/zinc/41/41/38/446414138.db2.gz RXADYRKZWFNRAB-BLLLJJGKSA-N 2 2 336.871 1.980 20 0 EDADLP Cc1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n(C)n1 ZINC000418020757 446417331 /nfs/dbraw/zinc/41/73/31/446417331.db2.gz NUHHEQJDUDOJKX-HOCLYGCPSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n(C)n1 ZINC000418020757 446417335 /nfs/dbraw/zinc/41/73/35/446417335.db2.gz NUHHEQJDUDOJKX-HOCLYGCPSA-N 2 2 334.443 1.506 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000370766475 446424390 /nfs/dbraw/zinc/42/43/90/446424390.db2.gz MIBUTVADHHUUAF-TUAOUCFPSA-N 2 2 330.354 1.982 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000418046686 446424556 /nfs/dbraw/zinc/42/45/56/446424556.db2.gz HRCZPJVVQLHETH-ZDUSSCGKSA-N 2 2 336.867 1.701 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000418047248 446424606 /nfs/dbraw/zinc/42/46/06/446424606.db2.gz IRQICUSAFGPLQP-CQSZACIVSA-N 2 2 336.867 1.831 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000418047248 446424608 /nfs/dbraw/zinc/42/46/08/446424608.db2.gz IRQICUSAFGPLQP-CQSZACIVSA-N 2 2 336.867 1.831 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420317988 446484233 /nfs/dbraw/zinc/48/42/33/446484233.db2.gz VGXHYRXTWOILMA-LBPRGKRZSA-N 2 2 339.461 1.937 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420317988 446484242 /nfs/dbraw/zinc/48/42/42/446484242.db2.gz VGXHYRXTWOILMA-LBPRGKRZSA-N 2 2 339.461 1.937 20 0 EDADLP CN(C(=O)N[C@H]1CSC1(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367114333 446509812 /nfs/dbraw/zinc/50/98/12/446509812.db2.gz OAPRPZZVHQLRLQ-CABCVRRESA-N 2 2 340.537 1.690 20 0 EDADLP CN(C(=O)N[C@H]1CSC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367114333 446509814 /nfs/dbraw/zinc/50/98/14/446509814.db2.gz OAPRPZZVHQLRLQ-CABCVRRESA-N 2 2 340.537 1.690 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423388827 446513939 /nfs/dbraw/zinc/51/39/39/446513939.db2.gz IZVNIAITTKPRBP-OKZBNKHCSA-N 2 2 327.428 1.723 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000420383566 446558488 /nfs/dbraw/zinc/55/84/88/446558488.db2.gz BWDMEHBGEKJROT-KBPBESRZSA-N 2 2 335.448 1.565 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000420383566 446558491 /nfs/dbraw/zinc/55/84/91/446558491.db2.gz BWDMEHBGEKJROT-KBPBESRZSA-N 2 2 335.448 1.565 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000420383570 446559163 /nfs/dbraw/zinc/55/91/63/446559163.db2.gz BWDMEHBGEKJROT-UONOGXRCSA-N 2 2 335.448 1.565 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000420383570 446559169 /nfs/dbraw/zinc/55/91/69/446559169.db2.gz BWDMEHBGEKJROT-UONOGXRCSA-N 2 2 335.448 1.565 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000420383921 446559378 /nfs/dbraw/zinc/55/93/78/446559378.db2.gz GCQAYGDDQKWHQL-GJZGRUSLSA-N 2 2 348.447 1.390 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000420383921 446559383 /nfs/dbraw/zinc/55/93/83/446559383.db2.gz GCQAYGDDQKWHQL-GJZGRUSLSA-N 2 2 348.447 1.390 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000418495449 446564835 /nfs/dbraw/zinc/56/48/35/446564835.db2.gz GAJORCZISKIDKS-MRXNPFEDSA-N 2 2 336.867 1.905 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418368159 446517108 /nfs/dbraw/zinc/51/71/08/446517108.db2.gz RHQMZGXMRUDYOP-HOCLYGCPSA-N 2 2 326.485 1.256 20 0 EDADLP COC[C@]1(CN[C@H](C[NH+]2CCOCC2)c2ccccc2C)CCC[NH2+]1 ZINC000423418008 446524399 /nfs/dbraw/zinc/52/43/99/446524399.db2.gz TYRYHCRUCCDYCR-WOJBJXKFSA-N 2 2 347.503 1.727 20 0 EDADLP COC[C@]1(C[NH2+][C@H](CN2CCOCC2)c2ccccc2C)CCC[NH2+]1 ZINC000423418008 446524405 /nfs/dbraw/zinc/52/44/05/446524405.db2.gz TYRYHCRUCCDYCR-WOJBJXKFSA-N 2 2 347.503 1.727 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423421891 446528718 /nfs/dbraw/zinc/52/87/18/446528718.db2.gz BFFBSKZNOSMYPO-GOSISDBHSA-N 3 2 346.519 1.855 20 0 EDADLP COc1ccc(CCNC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OC ZINC000420354447 446533886 /nfs/dbraw/zinc/53/38/86/446533886.db2.gz DBMGUNLEHMFGMU-INIZCTEOSA-N 2 2 337.464 1.326 20 0 EDADLP COc1ccc([C@H](C[NH3+])CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000420355165 446535565 /nfs/dbraw/zinc/53/55/65/446535565.db2.gz DWKZLENECDUBSV-LJQANCHMSA-N 2 2 340.471 1.950 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000420355165 446535571 /nfs/dbraw/zinc/53/55/71/446535571.db2.gz DWKZLENECDUBSV-LJQANCHMSA-N 2 2 340.471 1.950 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)C(=O)OC ZINC000420358119 446538013 /nfs/dbraw/zinc/53/80/13/446538013.db2.gz DZQNDLZJFPHQDF-BJJXKVORSA-N 2 2 327.469 1.188 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000420358578 446540286 /nfs/dbraw/zinc/54/02/86/446540286.db2.gz FJOIQZFIWOZNMB-RVSVCOFUSA-N 2 2 331.460 1.991 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420363324 446543343 /nfs/dbraw/zinc/54/33/43/446543343.db2.gz JKONVBJFTKAXKZ-ZDUSSCGKSA-N 2 2 339.461 1.970 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453108477 446545312 /nfs/dbraw/zinc/54/53/12/446545312.db2.gz KZDLRZBOLBYJEX-FUHWJXTLSA-N 2 2 347.438 1.860 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453108477 446545315 /nfs/dbraw/zinc/54/53/15/446545315.db2.gz KZDLRZBOLBYJEX-FUHWJXTLSA-N 2 2 347.438 1.860 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453108477 446545323 /nfs/dbraw/zinc/54/53/23/446545323.db2.gz KZDLRZBOLBYJEX-FUHWJXTLSA-N 2 2 347.438 1.860 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453108477 446545328 /nfs/dbraw/zinc/54/53/28/446545328.db2.gz KZDLRZBOLBYJEX-FUHWJXTLSA-N 2 2 347.438 1.860 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453108477 446545334 /nfs/dbraw/zinc/54/53/34/446545334.db2.gz KZDLRZBOLBYJEX-FUHWJXTLSA-N 2 2 347.438 1.860 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453108477 446545337 /nfs/dbraw/zinc/54/53/37/446545337.db2.gz KZDLRZBOLBYJEX-FUHWJXTLSA-N 2 2 347.438 1.860 20 0 EDADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000420370769 446548841 /nfs/dbraw/zinc/54/88/41/446548841.db2.gz ZDPCBQYSYLOKFS-OAHLLOKOSA-N 2 2 333.432 1.894 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[NH+]1CCCO ZINC000453259342 446552726 /nfs/dbraw/zinc/55/27/26/446552726.db2.gz IILHIJALOLWRET-HOJAQTOUSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[NH+]1CCCO ZINC000453259342 446552732 /nfs/dbraw/zinc/55/27/32/446552732.db2.gz IILHIJALOLWRET-HOJAQTOUSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000453259342 446552736 /nfs/dbraw/zinc/55/27/36/446552736.db2.gz IILHIJALOLWRET-HOJAQTOUSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[N@H+]1CCCO ZINC000453259342 446552739 /nfs/dbraw/zinc/55/27/39/446552739.db2.gz IILHIJALOLWRET-HOJAQTOUSA-N 2 2 346.519 1.728 20 0 EDADLP CC(C)N(C)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000411587056 446617936 /nfs/dbraw/zinc/61/79/36/446617936.db2.gz WOTDXNIOUIBOTQ-MAUKXSAKSA-N 2 2 335.496 1.602 20 0 EDADLP CC(C)N(C)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000411587056 446617940 /nfs/dbraw/zinc/61/79/40/446617940.db2.gz WOTDXNIOUIBOTQ-MAUKXSAKSA-N 2 2 335.496 1.602 20 0 EDADLP CC(C)N(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000411587056 446617948 /nfs/dbraw/zinc/61/79/48/446617948.db2.gz WOTDXNIOUIBOTQ-MAUKXSAKSA-N 2 2 335.496 1.602 20 0 EDADLP CC(C)N(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000411587056 446617953 /nfs/dbraw/zinc/61/79/53/446617953.db2.gz WOTDXNIOUIBOTQ-MAUKXSAKSA-N 2 2 335.496 1.602 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423595973 446595077 /nfs/dbraw/zinc/59/50/77/446595077.db2.gz QWBFWQMATNLYND-CVEARBPZSA-N 2 2 347.459 1.448 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423595973 446595083 /nfs/dbraw/zinc/59/50/83/446595083.db2.gz QWBFWQMATNLYND-CVEARBPZSA-N 2 2 347.459 1.448 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000433781351 446598444 /nfs/dbraw/zinc/59/84/44/446598444.db2.gz GFKNVXVYQHSMGG-MRXNPFEDSA-N 2 2 349.479 1.250 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000433781351 446598448 /nfs/dbraw/zinc/59/84/48/446598448.db2.gz GFKNVXVYQHSMGG-MRXNPFEDSA-N 2 2 349.479 1.250 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418592115 446607143 /nfs/dbraw/zinc/60/71/43/446607143.db2.gz OPUWAHNOUQLNTN-KGLIPLIRSA-N 2 2 335.452 1.308 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418737125 446661221 /nfs/dbraw/zinc/66/12/21/446661221.db2.gz VFSJUATVWGBNSY-XQQFMLRXSA-N 2 2 328.457 1.697 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418737125 446661223 /nfs/dbraw/zinc/66/12/23/446661223.db2.gz VFSJUATVWGBNSY-XQQFMLRXSA-N 2 2 328.457 1.697 20 0 EDADLP [NH3+]C[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000423731427 446666677 /nfs/dbraw/zinc/66/66/77/446666677.db2.gz OAQNDRAXNASUNO-GOSISDBHSA-N 2 2 342.418 1.607 20 0 EDADLP C[NH+](C)CCN(C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C1CCCC1 ZINC000418750312 446669160 /nfs/dbraw/zinc/66/91/60/446669160.db2.gz DHPNLBDJUORMCT-ZDUSSCGKSA-N 2 2 332.439 1.747 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH2+]C)[C@H](C)C1 ZINC000418627074 446620943 /nfs/dbraw/zinc/62/09/43/446620943.db2.gz MRHNNJWRWFKFOS-HZPDHXFCSA-N 2 2 348.491 1.909 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@@H](C)[NH2+]C)[C@H](C)C1 ZINC000418627074 446620951 /nfs/dbraw/zinc/62/09/51/446620951.db2.gz MRHNNJWRWFKFOS-HZPDHXFCSA-N 2 2 348.491 1.909 20 0 EDADLP Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371217642 446696052 /nfs/dbraw/zinc/69/60/52/446696052.db2.gz CVUVZOATPUSQEP-CZUORRHYSA-N 2 2 347.507 1.805 20 0 EDADLP Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371217642 446696056 /nfs/dbraw/zinc/69/60/56/446696056.db2.gz CVUVZOATPUSQEP-CZUORRHYSA-N 2 2 347.507 1.805 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371220483 446696959 /nfs/dbraw/zinc/69/69/59/446696959.db2.gz QXSYXUKEWAVMNB-BRWVUGGUSA-N 2 2 345.491 1.245 20 0 EDADLP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000375318094 446716894 /nfs/dbraw/zinc/71/68/94/446716894.db2.gz HOKMVFHVSCJHIQ-QZTJIDSGSA-N 2 2 335.492 1.794 20 0 EDADLP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000423832140 446721095 /nfs/dbraw/zinc/72/10/95/446721095.db2.gz RNYRCIVXUDZHQQ-HOCLYGCPSA-N 2 2 327.375 1.062 20 0 EDADLP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000423832140 446721101 /nfs/dbraw/zinc/72/11/01/446721101.db2.gz RNYRCIVXUDZHQQ-HOCLYGCPSA-N 2 2 327.375 1.062 20 0 EDADLP Cc1cc(NC(=O)CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000371259787 446722894 /nfs/dbraw/zinc/72/28/94/446722894.db2.gz VMSIRAUVXYLXKI-HNNXBMFYSA-N 2 2 335.452 1.022 20 0 EDADLP Cc1cc(NC(=O)CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000371259787 446722897 /nfs/dbraw/zinc/72/28/97/446722897.db2.gz VMSIRAUVXYLXKI-HNNXBMFYSA-N 2 2 335.452 1.022 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000376800900 446728325 /nfs/dbraw/zinc/72/83/25/446728325.db2.gz DKNPEAYRTJEKCC-WBVHZDCISA-N 2 2 335.448 1.642 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000376800900 446728330 /nfs/dbraw/zinc/72/83/30/446728330.db2.gz DKNPEAYRTJEKCC-WBVHZDCISA-N 2 2 335.448 1.642 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCOCC1 ZINC000368166665 446681372 /nfs/dbraw/zinc/68/13/72/446681372.db2.gz PXTVLLWVJYRNAZ-QGZVFWFLSA-N 2 2 334.464 1.736 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178610 450435981 /nfs/dbraw/zinc/43/59/81/450435981.db2.gz YAPNGKPVUFLRRM-ZBFHGGJFSA-N 2 2 340.427 1.627 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000376877517 446772783 /nfs/dbraw/zinc/77/27/83/446772783.db2.gz XJACCBOEPPICGS-GOSISDBHSA-N 2 2 349.450 1.579 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000376877517 446772792 /nfs/dbraw/zinc/77/27/92/446772792.db2.gz XJACCBOEPPICGS-GOSISDBHSA-N 2 2 349.450 1.579 20 0 EDADLP Cc1cc(C)c(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)c[nH+]1 ZINC000418893297 446777904 /nfs/dbraw/zinc/77/79/04/446777904.db2.gz XJOFCROTCNMJDV-UHFFFAOYSA-N 2 2 340.427 1.302 20 0 EDADLP CC(C)OCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376891793 446781683 /nfs/dbraw/zinc/78/16/83/446781683.db2.gz DXQAUHSYCRDERX-OAHLLOKOSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)OCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376891793 446781690 /nfs/dbraw/zinc/78/16/90/446781690.db2.gz DXQAUHSYCRDERX-OAHLLOKOSA-N 2 2 326.485 1.221 20 0 EDADLP c1nc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc(N2CCOCC2)[nH+]1 ZINC000375412949 446782576 /nfs/dbraw/zinc/78/25/76/446782576.db2.gz DWDVKIKHBHSWTA-HZPDHXFCSA-N 2 2 347.463 1.369 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423933664 446785764 /nfs/dbraw/zinc/78/57/64/446785764.db2.gz WRBPFEHOCWCIGA-HUUCEWRRSA-N 2 2 332.448 1.789 20 0 EDADLP CCOC(=O)CCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371342052 446790906 /nfs/dbraw/zinc/79/09/06/446790906.db2.gz UKRUMWGAMVPTAD-IAGOWNOFSA-N 2 2 325.497 1.678 20 0 EDADLP CCOC(=O)CCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371342052 446790909 /nfs/dbraw/zinc/79/09/09/446790909.db2.gz UKRUMWGAMVPTAD-IAGOWNOFSA-N 2 2 325.497 1.678 20 0 EDADLP Cc1cc(CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n(C)n1 ZINC000376950067 446816030 /nfs/dbraw/zinc/81/60/30/446816030.db2.gz FGIHCNGQCDAWHJ-OAHLLOKOSA-N 2 2 348.495 1.038 20 0 EDADLP Cc1cc(CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n(C)n1 ZINC000376950067 446816040 /nfs/dbraw/zinc/81/60/40/446816040.db2.gz FGIHCNGQCDAWHJ-OAHLLOKOSA-N 2 2 348.495 1.038 20 0 EDADLP CCCCNc1cc(N2CC[N@H+](CCOC)[C@H](CC)C2)nc(N)[nH+]1 ZINC000439156031 446808986 /nfs/dbraw/zinc/80/89/86/446808986.db2.gz CULYLQQLFOEKJI-CQSZACIVSA-N 2 2 336.484 1.818 20 0 EDADLP CCCCNc1cc(N2CC[N@@H+](CCOC)[C@H](CC)C2)nc(N)[nH+]1 ZINC000439156031 446808992 /nfs/dbraw/zinc/80/89/92/446808992.db2.gz CULYLQQLFOEKJI-CQSZACIVSA-N 2 2 336.484 1.818 20 0 EDADLP CC1(C)C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](CO)O1 ZINC000420929641 446902707 /nfs/dbraw/zinc/90/27/07/446902707.db2.gz RCBKBWBYPBCGQA-GOSISDBHSA-N 2 2 334.460 1.491 20 0 EDADLP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](CO)O1 ZINC000420929641 446902713 /nfs/dbraw/zinc/90/27/13/446902713.db2.gz RCBKBWBYPBCGQA-GOSISDBHSA-N 2 2 334.460 1.491 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000419008691 446862909 /nfs/dbraw/zinc/86/29/09/446862909.db2.gz ULKICWSVRISCOH-RDJZCZTQSA-N 2 2 346.475 1.133 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000419008691 446862916 /nfs/dbraw/zinc/86/29/16/446862916.db2.gz ULKICWSVRISCOH-RDJZCZTQSA-N 2 2 346.475 1.133 20 0 EDADLP COCC[N@H+](CC(=O)N(C)C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420903156 446879791 /nfs/dbraw/zinc/87/97/91/446879791.db2.gz NOOCLRKQGMYAQA-UHFFFAOYSA-N 2 2 349.475 1.055 20 0 EDADLP COCC[N@@H+](CC(=O)N(C)C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420903156 446879796 /nfs/dbraw/zinc/87/97/96/446879796.db2.gz NOOCLRKQGMYAQA-UHFFFAOYSA-N 2 2 349.475 1.055 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000420914210 446886749 /nfs/dbraw/zinc/88/67/49/446886749.db2.gz KGQPISAVNRVXBP-QRNKSROTSA-N 2 2 326.485 1.268 20 0 EDADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000420916241 446886824 /nfs/dbraw/zinc/88/68/24/446886824.db2.gz NWYMCDHMDAXNSS-GOSISDBHSA-N 2 2 348.443 1.283 20 0 EDADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000420916241 446886833 /nfs/dbraw/zinc/88/68/33/446886833.db2.gz NWYMCDHMDAXNSS-GOSISDBHSA-N 2 2 348.443 1.283 20 0 EDADLP C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920406 446888875 /nfs/dbraw/zinc/88/88/75/446888875.db2.gz JQHHNQGXLZUICQ-HJPURHCSSA-N 2 2 336.501 1.862 20 0 EDADLP C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920406 446888882 /nfs/dbraw/zinc/88/88/82/446888882.db2.gz JQHHNQGXLZUICQ-HJPURHCSSA-N 2 2 336.501 1.862 20 0 EDADLP CNC(=O)[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420976188 446950069 /nfs/dbraw/zinc/95/00/69/446950069.db2.gz PBUDUQZDVJDMJJ-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP CNC(=O)[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420976188 446950073 /nfs/dbraw/zinc/95/00/73/446950073.db2.gz PBUDUQZDVJDMJJ-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP CNC(=O)[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000420976188 446950079 /nfs/dbraw/zinc/95/00/79/446950079.db2.gz PBUDUQZDVJDMJJ-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP CNC(=O)[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000420976188 446950080 /nfs/dbraw/zinc/95/00/80/446950080.db2.gz PBUDUQZDVJDMJJ-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000442764588 446957900 /nfs/dbraw/zinc/95/79/00/446957900.db2.gz CTFSRUNLCUXVAN-NWDGAFQWSA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000442764588 446957907 /nfs/dbraw/zinc/95/79/07/446957907.db2.gz CTFSRUNLCUXVAN-NWDGAFQWSA-N 2 2 337.420 1.320 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c[nH+]1 ZINC000454920938 447004530 /nfs/dbraw/zinc/00/45/30/447004530.db2.gz SVIIXKAXLHJJFB-UHFFFAOYSA-N 2 2 333.480 1.524 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c[nH+]1 ZINC000454920938 447004536 /nfs/dbraw/zinc/00/45/36/447004536.db2.gz SVIIXKAXLHJJFB-UHFFFAOYSA-N 2 2 333.480 1.524 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1)C[NH+]1CCOCC1 ZINC000413153790 447035940 /nfs/dbraw/zinc/03/59/40/447035940.db2.gz MASCCYFMQZXKTN-OAGGEKHMSA-N 2 2 349.479 1.064 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1)C[NH+]1CCOCC1 ZINC000413153790 447035945 /nfs/dbraw/zinc/03/59/45/447035945.db2.gz MASCCYFMQZXKTN-OAGGEKHMSA-N 2 2 349.479 1.064 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@@H]1C ZINC000377334133 447072858 /nfs/dbraw/zinc/07/28/58/447072858.db2.gz AMAONVFYCPPVJG-GASCZTMLSA-N 2 2 349.479 1.470 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@@H]1C ZINC000377334133 447072867 /nfs/dbraw/zinc/07/28/67/447072867.db2.gz AMAONVFYCPPVJG-GASCZTMLSA-N 2 2 349.479 1.470 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413210866 447070016 /nfs/dbraw/zinc/07/00/16/447070016.db2.gz WMWBDJHZWQTFKL-HOCLYGCPSA-N 2 2 344.463 1.715 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413210866 447070020 /nfs/dbraw/zinc/07/00/20/447070020.db2.gz WMWBDJHZWQTFKL-HOCLYGCPSA-N 2 2 344.463 1.715 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377399287 447110343 /nfs/dbraw/zinc/11/03/43/447110343.db2.gz KPDPPBAVEFGXEJ-JWTNVVGKSA-N 2 2 345.487 1.911 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377399287 447110350 /nfs/dbraw/zinc/11/03/50/447110350.db2.gz KPDPPBAVEFGXEJ-JWTNVVGKSA-N 2 2 345.487 1.911 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377399287 447110352 /nfs/dbraw/zinc/11/03/52/447110352.db2.gz KPDPPBAVEFGXEJ-JWTNVVGKSA-N 2 2 345.487 1.911 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377399287 447110357 /nfs/dbraw/zinc/11/03/57/447110357.db2.gz KPDPPBAVEFGXEJ-JWTNVVGKSA-N 2 2 345.487 1.911 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+](C)C[C@H](O)COCc2ccccc2)n1C ZINC000425320217 447113624 /nfs/dbraw/zinc/11/36/24/447113624.db2.gz CGJWMRVEEOXUSQ-KRWDZBQOSA-N 2 2 332.448 1.496 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)n1C ZINC000425320217 447113631 /nfs/dbraw/zinc/11/36/31/447113631.db2.gz CGJWMRVEEOXUSQ-KRWDZBQOSA-N 2 2 332.448 1.496 20 0 EDADLP CC(C)(O)C[N@@H+]1CCCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000377335263 447073211 /nfs/dbraw/zinc/07/32/11/447073211.db2.gz RNBRFCWBPBJKAE-UHFFFAOYSA-N 2 2 347.450 1.269 20 0 EDADLP CC(C)(O)C[N@H+]1CCCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000377335263 447073218 /nfs/dbraw/zinc/07/32/18/447073218.db2.gz RNBRFCWBPBJKAE-UHFFFAOYSA-N 2 2 347.450 1.269 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000372478751 447077457 /nfs/dbraw/zinc/07/74/57/447077457.db2.gz WGDGUNYHVCPHQQ-WMLDXEAASA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000372478751 447077460 /nfs/dbraw/zinc/07/74/60/447077460.db2.gz WGDGUNYHVCPHQQ-WMLDXEAASA-N 2 2 348.495 1.291 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)nc[nH+]2)C1 ZINC000375905674 447137711 /nfs/dbraw/zinc/13/77/11/447137711.db2.gz NJLLYYBNYWDMHL-BRWVUGGUSA-N 2 2 345.491 1.748 20 0 EDADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375908560 447139865 /nfs/dbraw/zinc/13/98/65/447139865.db2.gz XKUZAAZXFSOJAQ-NEWSRXKRSA-N 2 2 345.487 1.863 20 0 EDADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375908560 447139875 /nfs/dbraw/zinc/13/98/75/447139875.db2.gz XKUZAAZXFSOJAQ-NEWSRXKRSA-N 2 2 345.487 1.863 20 0 EDADLP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375908560 447139881 /nfs/dbraw/zinc/13/98/81/447139881.db2.gz XKUZAAZXFSOJAQ-NEWSRXKRSA-N 2 2 345.487 1.863 20 0 EDADLP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000375908560 447139887 /nfs/dbraw/zinc/13/98/87/447139887.db2.gz XKUZAAZXFSOJAQ-NEWSRXKRSA-N 2 2 345.487 1.863 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCCc2cn(C)c[nH+]2)n1 ZINC000413385969 447166884 /nfs/dbraw/zinc/16/68/84/447166884.db2.gz TXYASBCIYYSSAD-WBVHZDCISA-N 2 2 344.463 1.324 20 0 EDADLP CC[C@H]1C[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](CC)O1 ZINC000421399074 447150894 /nfs/dbraw/zinc/15/08/94/447150894.db2.gz ZQLIEHDDGWVXAX-IRXDYDNUSA-N 2 2 333.480 1.618 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372587979 447166525 /nfs/dbraw/zinc/16/65/25/447166525.db2.gz XLPMYOUXBKYEGW-AWEZNQCLSA-N 2 2 347.463 1.212 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372587979 447166529 /nfs/dbraw/zinc/16/65/29/447166529.db2.gz XLPMYOUXBKYEGW-AWEZNQCLSA-N 2 2 347.463 1.212 20 0 EDADLP O=C(C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)N1CC[NH+](Cc2ccco2)CC1 ZINC000372655464 447208763 /nfs/dbraw/zinc/20/87/63/447208763.db2.gz NQMKPBQWNRQRGO-MCPYQZEQSA-N 2 2 347.459 1.017 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O)N1CC[NH+](Cc2ccco2)CC1 ZINC000372655464 447208769 /nfs/dbraw/zinc/20/87/69/447208769.db2.gz NQMKPBQWNRQRGO-MCPYQZEQSA-N 2 2 347.459 1.017 20 0 EDADLP Cn1nnnc1N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000377576943 447216957 /nfs/dbraw/zinc/21/69/57/447216957.db2.gz HWYRZGNVJHHXKW-UHFFFAOYSA-N 2 2 338.419 1.154 20 0 EDADLP C[C@H](O)c1ncc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)s1 ZINC000377634360 447261380 /nfs/dbraw/zinc/26/13/80/447261380.db2.gz ZXWSDKVRHYIZHT-LSDHHAIUSA-N 2 2 338.521 1.798 20 0 EDADLP C[C@H](O)c1ncc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)s1 ZINC000377634360 447261383 /nfs/dbraw/zinc/26/13/83/447261383.db2.gz ZXWSDKVRHYIZHT-LSDHHAIUSA-N 2 2 338.521 1.798 20 0 EDADLP C[C@@H]1CN(C(=O)COCC2CCCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000456005516 447282899 /nfs/dbraw/zinc/28/28/99/447282899.db2.gz BAOCYYUTEUCLEZ-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CN(C(=O)COCC2CCCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000456005516 447282904 /nfs/dbraw/zinc/28/29/04/447282904.db2.gz BAOCYYUTEUCLEZ-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000426792969 447501985 /nfs/dbraw/zinc/50/19/85/447501985.db2.gz OLSAIGBMPVNYTI-SFHVURJKSA-N 3 2 348.535 1.680 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000426792969 447501994 /nfs/dbraw/zinc/50/19/94/447501994.db2.gz OLSAIGBMPVNYTI-SFHVURJKSA-N 3 2 348.535 1.680 20 0 EDADLP CN1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000426792969 447502001 /nfs/dbraw/zinc/50/20/01/447502001.db2.gz OLSAIGBMPVNYTI-SFHVURJKSA-N 2 2 348.535 1.680 20 0 EDADLP CN1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000426792969 447502007 /nfs/dbraw/zinc/50/20/07/447502007.db2.gz OLSAIGBMPVNYTI-SFHVURJKSA-N 2 2 348.535 1.680 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398054310 447555314 /nfs/dbraw/zinc/55/53/14/447555314.db2.gz UVJOQNOEWMUTBI-NJAFHUGGSA-N 2 2 334.460 1.943 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398054310 447555320 /nfs/dbraw/zinc/55/53/20/447555320.db2.gz UVJOQNOEWMUTBI-NJAFHUGGSA-N 2 2 334.460 1.943 20 0 EDADLP COCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400320135 447571706 /nfs/dbraw/zinc/57/17/06/447571706.db2.gz BLAVKNKATFVKBY-CABCVRRESA-N 2 2 329.485 1.800 20 0 EDADLP COCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400320135 447571715 /nfs/dbraw/zinc/57/17/15/447571715.db2.gz BLAVKNKATFVKBY-CABCVRRESA-N 2 2 329.485 1.800 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000427730020 447638890 /nfs/dbraw/zinc/63/88/90/447638890.db2.gz CWJMZDBSLHLCEU-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000427730020 447638898 /nfs/dbraw/zinc/63/88/98/447638898.db2.gz CWJMZDBSLHLCEU-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000427730020 447638905 /nfs/dbraw/zinc/63/89/05/447638905.db2.gz CWJMZDBSLHLCEU-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000427730020 447638911 /nfs/dbraw/zinc/63/89/11/447638911.db2.gz CWJMZDBSLHLCEU-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000459252435 447622076 /nfs/dbraw/zinc/62/20/76/447622076.db2.gz GZUAOBDUUIFOPQ-MRXNPFEDSA-N 2 2 334.464 1.839 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000459252435 447622083 /nfs/dbraw/zinc/62/20/83/447622083.db2.gz GZUAOBDUUIFOPQ-MRXNPFEDSA-N 2 2 334.464 1.839 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C[C@@H]1[NH3+] ZINC000416888614 447702746 /nfs/dbraw/zinc/70/27/46/447702746.db2.gz JKICRFZQSKTJJV-HYVNUMGLSA-N 2 2 332.448 1.049 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000422586717 447655156 /nfs/dbraw/zinc/65/51/56/447655156.db2.gz GFUCOLYOMCZLNR-CZUORRHYSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000422586717 447655164 /nfs/dbraw/zinc/65/51/64/447655164.db2.gz GFUCOLYOMCZLNR-CZUORRHYSA-N 2 2 346.475 1.551 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000457868401 447655250 /nfs/dbraw/zinc/65/52/50/447655250.db2.gz XNUOMBJVEJZNEZ-UHFFFAOYSA-N 2 2 341.459 1.291 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416807190 447688431 /nfs/dbraw/zinc/68/84/31/447688431.db2.gz GWLKUBAFFNWPHH-MSOLQXFVSA-N 2 2 348.491 1.560 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416807190 447688436 /nfs/dbraw/zinc/68/84/36/447688436.db2.gz GWLKUBAFFNWPHH-MSOLQXFVSA-N 2 2 348.491 1.560 20 0 EDADLP COCC[NH2+]CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416920232 447710380 /nfs/dbraw/zinc/71/03/80/447710380.db2.gz NAISHTUMOYQTOH-HNNXBMFYSA-N 2 2 349.410 1.184 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000416939159 447715568 /nfs/dbraw/zinc/71/55/68/447715568.db2.gz MLPYRRCLYVGXOJ-OAHLLOKOSA-N 2 2 339.802 1.831 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416995848 447730059 /nfs/dbraw/zinc/73/00/59/447730059.db2.gz PNNZIHGGDOXBPB-PBHICJAKSA-N 2 2 327.432 1.729 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000422727311 447731292 /nfs/dbraw/zinc/73/12/92/447731292.db2.gz CCPDDYCJMHRCQF-IJEWVQPXSA-N 2 2 337.489 1.768 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422757594 447741498 /nfs/dbraw/zinc/74/14/98/447741498.db2.gz JTPJPGGDHDPFFG-QKPAOTATSA-N 2 2 325.497 1.626 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422757594 447741501 /nfs/dbraw/zinc/74/15/01/447741501.db2.gz JTPJPGGDHDPFFG-QKPAOTATSA-N 2 2 325.497 1.626 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422838171 447765231 /nfs/dbraw/zinc/76/52/31/447765231.db2.gz WJMNYVZCTMQEJL-OCCSQVGLSA-N 2 2 346.397 2.259 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496541544 447813500 /nfs/dbraw/zinc/81/35/00/447813500.db2.gz CIOQVUGZZFDHTD-LZWOXQAQSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496541544 447813501 /nfs/dbraw/zinc/81/35/01/447813501.db2.gz CIOQVUGZZFDHTD-LZWOXQAQSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000496541544 447813504 /nfs/dbraw/zinc/81/35/04/447813504.db2.gz CIOQVUGZZFDHTD-LZWOXQAQSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496541544 447813506 /nfs/dbraw/zinc/81/35/06/447813506.db2.gz CIOQVUGZZFDHTD-LZWOXQAQSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844110 447767932 /nfs/dbraw/zinc/76/79/32/447767932.db2.gz KWCILSZEZUQESA-FUHWJXTLSA-N 2 2 330.476 1.313 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CC1 ZINC000430554040 447777625 /nfs/dbraw/zinc/77/76/25/447777625.db2.gz MEFZPJJHKXVZCV-SFHVURJKSA-N 2 2 330.432 1.234 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000430558313 447778596 /nfs/dbraw/zinc/77/85/96/447778596.db2.gz PZHIIVFWQHBRHL-IBGZPJMESA-N 3 2 332.492 1.294 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430565898 447781024 /nfs/dbraw/zinc/78/10/24/447781024.db2.gz BJXDRUJTKVARSI-GTNSWQLSSA-N 2 2 325.403 1.729 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCO[C@H]2CCCC[C@H]2C)C1 ZINC000430594068 447782601 /nfs/dbraw/zinc/78/26/01/447782601.db2.gz FLXZBRCRMCXFIJ-TWMKSMIVSA-N 2 2 325.497 1.757 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCO[C@H]2CCCC[C@H]2C)C1 ZINC000430594068 447782605 /nfs/dbraw/zinc/78/26/05/447782605.db2.gz FLXZBRCRMCXFIJ-TWMKSMIVSA-N 2 2 325.497 1.757 20 0 EDADLP C[C@H](NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422966353 447783557 /nfs/dbraw/zinc/78/35/57/447783557.db2.gz RCFDMDVBGZPOQO-USXIJHARSA-N 2 2 326.444 1.780 20 0 EDADLP C[C@H](NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422966353 447783561 /nfs/dbraw/zinc/78/35/61/447783561.db2.gz RCFDMDVBGZPOQO-USXIJHARSA-N 2 2 326.444 1.780 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422966353 447783564 /nfs/dbraw/zinc/78/35/64/447783564.db2.gz RCFDMDVBGZPOQO-USXIJHARSA-N 2 2 326.444 1.780 20 0 EDADLP C[C@H](NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422966354 447783629 /nfs/dbraw/zinc/78/36/29/447783629.db2.gz RCFDMDVBGZPOQO-XIRDDKMYSA-N 2 2 326.444 1.780 20 0 EDADLP C[C@H](NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422966354 447783633 /nfs/dbraw/zinc/78/36/33/447783633.db2.gz RCFDMDVBGZPOQO-XIRDDKMYSA-N 2 2 326.444 1.780 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422966354 447783636 /nfs/dbraw/zinc/78/36/36/447783636.db2.gz RCFDMDVBGZPOQO-XIRDDKMYSA-N 2 2 326.444 1.780 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500520 447791506 /nfs/dbraw/zinc/79/15/06/447791506.db2.gz NVHDGHBQYLDPAP-GJZGRUSLSA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500520 447791509 /nfs/dbraw/zinc/79/15/09/447791509.db2.gz NVHDGHBQYLDPAP-GJZGRUSLSA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500520 447791513 /nfs/dbraw/zinc/79/15/13/447791513.db2.gz NVHDGHBQYLDPAP-GJZGRUSLSA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500520 447791517 /nfs/dbraw/zinc/79/15/17/447791517.db2.gz NVHDGHBQYLDPAP-GJZGRUSLSA-N 2 2 329.485 1.630 20 0 EDADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423034175 447795094 /nfs/dbraw/zinc/79/50/94/447795094.db2.gz HJBWGIPIPUOWNL-BSDSXHPESA-N 2 2 348.491 1.654 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000488567417 447848777 /nfs/dbraw/zinc/84/87/77/447848777.db2.gz WKXDDWVFCDJNFO-HBUWYVDXSA-N 2 2 339.480 1.106 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000488567417 447848778 /nfs/dbraw/zinc/84/87/78/447848778.db2.gz WKXDDWVFCDJNFO-HBUWYVDXSA-N 2 2 339.480 1.106 20 0 EDADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@@H](C)C1 ZINC000488816614 447850628 /nfs/dbraw/zinc/85/06/28/447850628.db2.gz CUKYOIRQWUHJMI-VVLHAWIVSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@@H](C)C1 ZINC000488816614 447850629 /nfs/dbraw/zinc/85/06/29/447850629.db2.gz CUKYOIRQWUHJMI-VVLHAWIVSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)C1 ZINC000488816614 447850630 /nfs/dbraw/zinc/85/06/30/447850630.db2.gz CUKYOIRQWUHJMI-VVLHAWIVSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)C1 ZINC000488816614 447850631 /nfs/dbraw/zinc/85/06/31/447850631.db2.gz CUKYOIRQWUHJMI-VVLHAWIVSA-N 2 2 338.496 1.079 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(C)[nH+]1 ZINC000569684534 447865658 /nfs/dbraw/zinc/86/56/58/447865658.db2.gz IRQSZFDNOAQVQD-MRXNPFEDSA-N 2 2 330.432 1.011 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000549528612 447876038 /nfs/dbraw/zinc/87/60/38/447876038.db2.gz VVHCARSKTWXALL-SFHVURJKSA-N 2 2 342.443 1.690 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000569822105 447899415 /nfs/dbraw/zinc/89/94/15/447899415.db2.gz CAWLKUJIWBIXFH-NVXWUHKLSA-N 2 2 346.475 1.835 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)cc1 ZINC000523785869 447908718 /nfs/dbraw/zinc/90/87/18/447908718.db2.gz YCLGOYMGWLNDJS-UHFFFAOYSA-N 2 2 336.399 1.654 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496782739 447910423 /nfs/dbraw/zinc/91/04/23/447910423.db2.gz WWYWLEZGHGCYMX-YCPHGPKFSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496782739 447910427 /nfs/dbraw/zinc/91/04/27/447910427.db2.gz WWYWLEZGHGCYMX-YCPHGPKFSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000496782739 447910434 /nfs/dbraw/zinc/91/04/34/447910434.db2.gz WWYWLEZGHGCYMX-YCPHGPKFSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000496782739 447910442 /nfs/dbraw/zinc/91/04/42/447910442.db2.gz WWYWLEZGHGCYMX-YCPHGPKFSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844477 447960145 /nfs/dbraw/zinc/96/01/45/447960145.db2.gz XXYOREBRHRBYEN-WMZOPIPTSA-N 2 2 331.460 1.344 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844477 447960147 /nfs/dbraw/zinc/96/01/47/447960147.db2.gz XXYOREBRHRBYEN-WMZOPIPTSA-N 2 2 331.460 1.344 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000551996839 447923373 /nfs/dbraw/zinc/92/33/73/447923373.db2.gz ADKDNFPWDMKAJL-INIZCTEOSA-N 2 2 341.459 1.449 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000551996839 447923379 /nfs/dbraw/zinc/92/33/79/447923379.db2.gz ADKDNFPWDMKAJL-INIZCTEOSA-N 2 2 341.459 1.449 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000576170727 447990385 /nfs/dbraw/zinc/99/03/85/447990385.db2.gz SSBBKWWRBJFFTD-OAGGEKHMSA-N 2 2 348.491 1.936 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000576170727 447990394 /nfs/dbraw/zinc/99/03/94/447990394.db2.gz SSBBKWWRBJFFTD-OAGGEKHMSA-N 2 2 348.491 1.936 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000576170727 447990400 /nfs/dbraw/zinc/99/04/00/447990400.db2.gz SSBBKWWRBJFFTD-OAGGEKHMSA-N 2 2 348.491 1.936 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000576170727 447990409 /nfs/dbraw/zinc/99/04/09/447990409.db2.gz SSBBKWWRBJFFTD-OAGGEKHMSA-N 2 2 348.491 1.936 20 0 EDADLP Cc1ncc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000530951615 447990628 /nfs/dbraw/zinc/99/06/28/447990628.db2.gz KBTFAFOJVVBKIA-UHFFFAOYSA-N 2 2 347.507 1.986 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)ccc2n1C ZINC000525793096 448026018 /nfs/dbraw/zinc/02/60/18/448026018.db2.gz SXVBGUDXEWLCOD-MRXNPFEDSA-N 2 2 343.431 1.277 20 0 EDADLP COCc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)no1 ZINC000525704353 448014993 /nfs/dbraw/zinc/01/49/93/448014993.db2.gz HYKRRDDOTXOFAK-UHFFFAOYSA-N 2 2 331.376 1.220 20 0 EDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000571059478 448102947 /nfs/dbraw/zinc/10/29/47/448102947.db2.gz HJECUPRRCYWZGR-JKSUJKDBSA-N 3 2 339.528 1.171 20 0 EDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000571059478 448102953 /nfs/dbraw/zinc/10/29/53/448102953.db2.gz HJECUPRRCYWZGR-JKSUJKDBSA-N 3 2 339.528 1.171 20 0 EDADLP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000571059478 448102959 /nfs/dbraw/zinc/10/29/59/448102959.db2.gz HJECUPRRCYWZGR-JKSUJKDBSA-N 3 2 339.528 1.171 20 0 EDADLP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000571059478 448102967 /nfs/dbraw/zinc/10/29/67/448102967.db2.gz HJECUPRRCYWZGR-JKSUJKDBSA-N 3 2 339.528 1.171 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000570784851 448063513 /nfs/dbraw/zinc/06/35/13/448063513.db2.gz ZBWOMJJXMLPNSH-HZPDHXFCSA-N 3 2 349.479 1.091 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000570784851 448063516 /nfs/dbraw/zinc/06/35/16/448063516.db2.gz ZBWOMJJXMLPNSH-HZPDHXFCSA-N 3 2 349.479 1.091 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCOCC1 ZINC000531343493 448066224 /nfs/dbraw/zinc/06/62/24/448066224.db2.gz AHQPYRNMFBRPJS-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CCOCC1 ZINC000531343493 448066227 /nfs/dbraw/zinc/06/62/27/448066227.db2.gz AHQPYRNMFBRPJS-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP COC(C)(C)C[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531829663 448154863 /nfs/dbraw/zinc/15/48/63/448154863.db2.gz KDGSJDGUHFDJDZ-UHFFFAOYSA-N 2 2 334.464 1.477 20 0 EDADLP COC(C)(C)C[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531829663 448154870 /nfs/dbraw/zinc/15/48/70/448154870.db2.gz KDGSJDGUHFDJDZ-UHFFFAOYSA-N 2 2 334.464 1.477 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000527092404 448156919 /nfs/dbraw/zinc/15/69/19/448156919.db2.gz URXNVOVSJGHUBK-UHFFFAOYSA-N 2 2 343.431 1.121 20 0 EDADLP CCOC(=O)N1CCC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000497030312 448139725 /nfs/dbraw/zinc/13/97/25/448139725.db2.gz UWSIOYNEOIJOCC-UHFFFAOYSA-N 2 2 333.436 1.524 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccccc2-n2cc[nH+]c2)C[C@@H](C)O1 ZINC000571396571 448145264 /nfs/dbraw/zinc/14/52/64/448145264.db2.gz HDTIWYNWIBFNAC-NUJGCVRESA-N 2 2 344.459 1.432 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000571657629 448188687 /nfs/dbraw/zinc/18/86/87/448188687.db2.gz FGFWNRUSKKDXQO-CEXWTWQISA-N 2 2 338.455 1.980 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000571657629 448188688 /nfs/dbraw/zinc/18/86/88/448188688.db2.gz FGFWNRUSKKDXQO-CEXWTWQISA-N 2 2 338.455 1.980 20 0 EDADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]CC2(F)CC2)CC1 ZINC000527227193 448189109 /nfs/dbraw/zinc/18/91/09/448189109.db2.gz UPIAZBHUMGEHME-UHFFFAOYSA-N 2 2 341.452 1.214 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000571747764 448197348 /nfs/dbraw/zinc/19/73/48/448197348.db2.gz SIRKXPRHYUXEGU-GJZGRUSLSA-N 2 2 334.464 1.458 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000571747764 448197352 /nfs/dbraw/zinc/19/73/52/448197352.db2.gz SIRKXPRHYUXEGU-GJZGRUSLSA-N 2 2 334.464 1.458 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)[nH+]c12 ZINC000514939550 448228336 /nfs/dbraw/zinc/22/83/36/448228336.db2.gz ODBBUTFOBNPXNK-AEFFLSMTSA-N 2 2 342.443 1.540 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000577191034 448232072 /nfs/dbraw/zinc/23/20/72/448232072.db2.gz YPJYQVFMINAEAO-CXAGYDPISA-N 2 2 328.416 1.794 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000577191034 448232096 /nfs/dbraw/zinc/23/20/96/448232096.db2.gz YPJYQVFMINAEAO-CXAGYDPISA-N 2 2 328.416 1.794 20 0 EDADLP CNC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000515009586 448241162 /nfs/dbraw/zinc/24/11/62/448241162.db2.gz NVEBYLSSRHSZIS-TZMCWYRMSA-N 2 2 341.415 1.472 20 0 EDADLP CNC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000515009586 448241167 /nfs/dbraw/zinc/24/11/67/448241167.db2.gz NVEBYLSSRHSZIS-TZMCWYRMSA-N 2 2 341.415 1.472 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532208857 448216838 /nfs/dbraw/zinc/21/68/38/448216838.db2.gz APVGRECDOHYFFU-DNVCBOLYSA-N 2 2 343.471 1.731 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532208857 448216842 /nfs/dbraw/zinc/21/68/42/448216842.db2.gz APVGRECDOHYFFU-DNVCBOLYSA-N 2 2 343.471 1.731 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)COC1CCOCC1 ZINC000582482116 448250151 /nfs/dbraw/zinc/25/01/51/448250151.db2.gz UOMXQABUUOFXTB-INIZCTEOSA-N 2 2 331.416 1.518 20 0 EDADLP CSCC[C@H](CO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000577395718 448287805 /nfs/dbraw/zinc/28/78/05/448287805.db2.gz MRAREBTYPUXHGN-HUUCEWRRSA-N 2 2 337.489 1.718 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000515309457 448289031 /nfs/dbraw/zinc/28/90/31/448289031.db2.gz GAEKJINTNNEIOA-GDBMZVCRSA-N 2 2 341.521 1.041 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000515309457 448289033 /nfs/dbraw/zinc/28/90/33/448289033.db2.gz GAEKJINTNNEIOA-GDBMZVCRSA-N 2 2 341.521 1.041 20 0 EDADLP O[C@]1(C[NH2+]Cc2cnc3cnccn23)CC[N@H+](Cc2ccccc2)C1 ZINC000533007911 448343940 /nfs/dbraw/zinc/34/39/40/448343940.db2.gz ZGXXMCCQNRUKLO-IBGZPJMESA-N 2 2 337.427 1.456 20 0 EDADLP O[C@]1(C[NH2+]Cc2cnc3cnccn23)CC[N@@H+](Cc2ccccc2)C1 ZINC000533007911 448343943 /nfs/dbraw/zinc/34/39/43/448343943.db2.gz ZGXXMCCQNRUKLO-IBGZPJMESA-N 2 2 337.427 1.456 20 0 EDADLP C[NH+]1CCN(c2ncc(CNC[C@H]3CC[N@@H+]3C3CCCC3)cn2)CC1 ZINC000527805299 448365373 /nfs/dbraw/zinc/36/53/73/448365373.db2.gz GQGFZVDPBRVCBZ-GOSISDBHSA-N 2 2 344.507 1.335 20 0 EDADLP C[NH+]1CCN(c2ncc(CNC[C@H]3CC[N@H+]3C3CCCC3)cn2)CC1 ZINC000527805299 448365377 /nfs/dbraw/zinc/36/53/77/448365377.db2.gz GQGFZVDPBRVCBZ-GOSISDBHSA-N 2 2 344.507 1.335 20 0 EDADLP CC(=O)Nc1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000577735117 448372610 /nfs/dbraw/zinc/37/26/10/448372610.db2.gz WAXMRXIFEYHHHX-UKRRQHHQSA-N 2 2 338.477 1.820 20 0 EDADLP CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000493122236 448370516 /nfs/dbraw/zinc/37/05/16/448370516.db2.gz BNEMNAMRJRPFPW-HXNUIPBLSA-N 2 2 331.460 1.978 20 0 EDADLP CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000493122236 448370521 /nfs/dbraw/zinc/37/05/21/448370521.db2.gz BNEMNAMRJRPFPW-HXNUIPBLSA-N 2 2 331.460 1.978 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000527656739 448331656 /nfs/dbraw/zinc/33/16/56/448331656.db2.gz JZGRRIRSVKHOIM-ZDUSSCGKSA-N 2 2 334.493 1.269 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000515611874 448333265 /nfs/dbraw/zinc/33/32/65/448333265.db2.gz GYKKABGYHHHCTP-JYJNAYRXSA-N 2 2 333.480 1.462 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000515611874 448333273 /nfs/dbraw/zinc/33/32/73/448333273.db2.gz GYKKABGYHHHCTP-JYJNAYRXSA-N 2 2 333.480 1.462 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)C1 ZINC000515611874 448333280 /nfs/dbraw/zinc/33/32/80/448333280.db2.gz GYKKABGYHHHCTP-JYJNAYRXSA-N 2 2 333.480 1.462 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)C1 ZINC000515611874 448333285 /nfs/dbraw/zinc/33/32/85/448333285.db2.gz GYKKABGYHHHCTP-JYJNAYRXSA-N 2 2 333.480 1.462 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000591573247 448394136 /nfs/dbraw/zinc/39/41/36/448394136.db2.gz ODPLIBFGFAYKLS-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000591573247 448394142 /nfs/dbraw/zinc/39/41/42/448394142.db2.gz ODPLIBFGFAYKLS-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000591573247 448394145 /nfs/dbraw/zinc/39/41/45/448394145.db2.gz ODPLIBFGFAYKLS-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCn2cc(Br)ccc2=O)n1C ZINC000516194247 448397382 /nfs/dbraw/zinc/39/73/82/448397382.db2.gz ATKYKNNXCBQGIS-UHFFFAOYSA-N 2 2 325.210 1.443 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000572519384 448400487 /nfs/dbraw/zinc/40/04/87/448400487.db2.gz IYMWJZOYSJYFJM-JTQLQIEISA-N 2 2 332.231 1.474 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000572519384 448400489 /nfs/dbraw/zinc/40/04/89/448400489.db2.gz IYMWJZOYSJYFJM-JTQLQIEISA-N 2 2 332.231 1.474 20 0 EDADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000583015580 448403222 /nfs/dbraw/zinc/40/32/22/448403222.db2.gz WXYMCMANCPBSES-OAHLLOKOSA-N 2 2 347.463 1.311 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000566171856 448404323 /nfs/dbraw/zinc/40/43/23/448404323.db2.gz VPULYDZMICVSNN-MAUKXSAKSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cn1 ZINC000527988837 448405434 /nfs/dbraw/zinc/40/54/34/448405434.db2.gz VWZFNDIZDFUVAH-UHFFFAOYSA-N 2 2 348.491 1.019 20 0 EDADLP COc1ccc(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cn1 ZINC000527988837 448405440 /nfs/dbraw/zinc/40/54/40/448405440.db2.gz VWZFNDIZDFUVAH-UHFFFAOYSA-N 2 2 348.491 1.019 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c2[nH+]ccn21 ZINC000572579527 448412109 /nfs/dbraw/zinc/41/21/09/448412109.db2.gz SJXCXEALFFFMOC-RRFJBIMHSA-N 2 2 335.452 1.281 20 0 EDADLP Cc1ccc(C)c(OCCCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000582904055 448375055 /nfs/dbraw/zinc/37/50/55/448375055.db2.gz WORYEVXAUQXPIV-KRWDZBQOSA-N 2 2 333.476 1.954 20 0 EDADLP Cc1ccc(C)c(OCCCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000582904055 448375060 /nfs/dbraw/zinc/37/50/60/448375060.db2.gz WORYEVXAUQXPIV-KRWDZBQOSA-N 2 2 333.476 1.954 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000566231177 448422660 /nfs/dbraw/zinc/42/26/60/448422660.db2.gz LYWLESIFSSUEET-HUUCEWRRSA-N 2 2 328.478 1.062 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000566231177 448422666 /nfs/dbraw/zinc/42/26/66/448422666.db2.gz LYWLESIFSSUEET-HUUCEWRRSA-N 2 2 328.478 1.062 20 0 EDADLP Cc1onc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC000583608476 448439864 /nfs/dbraw/zinc/43/98/64/448439864.db2.gz XCRXCZVMYMCAEZ-XYPWUTKMSA-N 2 2 347.463 2.066 20 0 EDADLP Cc1onc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC000583608476 448439875 /nfs/dbraw/zinc/43/98/75/448439875.db2.gz XCRXCZVMYMCAEZ-XYPWUTKMSA-N 2 2 347.463 2.066 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cc(=O)[nH]c3ccccc23)C[C@H](C)O1 ZINC000572751381 448457482 /nfs/dbraw/zinc/45/74/82/448457482.db2.gz GLPWRHQPKKESBK-LZWOXQAQSA-N 2 2 345.443 1.500 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cc(=O)[nH]c3ccccc23)C[C@H](C)O1 ZINC000572751381 448457484 /nfs/dbraw/zinc/45/74/84/448457484.db2.gz GLPWRHQPKKESBK-LZWOXQAQSA-N 2 2 345.443 1.500 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000535004431 448473697 /nfs/dbraw/zinc/47/36/97/448473697.db2.gz HWNCZDGRAPHXFG-IRXDYDNUSA-N 2 2 339.443 1.016 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000535004431 448473702 /nfs/dbraw/zinc/47/37/02/448473702.db2.gz HWNCZDGRAPHXFG-IRXDYDNUSA-N 2 2 339.443 1.016 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572880602 448488714 /nfs/dbraw/zinc/48/87/14/448488714.db2.gz FGZXYEMRBGSNFC-HNAYVOBHSA-N 2 2 333.451 1.948 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572880602 448488715 /nfs/dbraw/zinc/48/87/15/448488715.db2.gz FGZXYEMRBGSNFC-HNAYVOBHSA-N 2 2 333.451 1.948 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000572960787 448507809 /nfs/dbraw/zinc/50/78/09/448507809.db2.gz OZVZCMWLHZLPFD-CABCVRRESA-N 2 2 326.412 1.002 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000572960787 448507814 /nfs/dbraw/zinc/50/78/14/448507814.db2.gz OZVZCMWLHZLPFD-CABCVRRESA-N 2 2 326.412 1.002 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591869269 448515738 /nfs/dbraw/zinc/51/57/38/448515738.db2.gz NIWYSOLGAOPQRU-GOSISDBHSA-N 2 2 342.443 1.983 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591869269 448515743 /nfs/dbraw/zinc/51/57/43/448515743.db2.gz NIWYSOLGAOPQRU-GOSISDBHSA-N 2 2 342.443 1.983 20 0 EDADLP C[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000566628801 448525792 /nfs/dbraw/zinc/52/57/92/448525792.db2.gz KDEIQLLZTJJOOJ-GDBMZVCRSA-N 2 2 330.436 1.365 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000584530668 448559143 /nfs/dbraw/zinc/55/91/43/448559143.db2.gz DRLDZFGCSGLVEQ-IYBDPMFKSA-N 2 2 330.432 1.027 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000578506219 448564703 /nfs/dbraw/zinc/56/47/03/448564703.db2.gz WARUHWCWRVNOMP-GINYUPMKSA-N 2 2 328.460 1.764 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C1CC1 ZINC000538146714 448579244 /nfs/dbraw/zinc/57/92/44/448579244.db2.gz DELIWKYRKPGVQX-QGZVFWFLSA-N 2 2 332.496 1.522 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C1CC1 ZINC000538146714 448579247 /nfs/dbraw/zinc/57/92/47/448579247.db2.gz DELIWKYRKPGVQX-QGZVFWFLSA-N 2 2 332.496 1.522 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC[NH2+]C2CC2)[NH+]2CCOCC2)cc1 ZINC000578549665 448578099 /nfs/dbraw/zinc/57/80/99/448578099.db2.gz VXHUCLLTJYIEGV-GOSISDBHSA-N 2 2 331.460 1.627 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000517140098 448542881 /nfs/dbraw/zinc/54/28/81/448542881.db2.gz CPXHXCYJWFXXDR-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000517140098 448542885 /nfs/dbraw/zinc/54/28/85/448542885.db2.gz CPXHXCYJWFXXDR-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000517140098 448542887 /nfs/dbraw/zinc/54/28/87/448542887.db2.gz CPXHXCYJWFXXDR-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000517140098 448542892 /nfs/dbraw/zinc/54/28/92/448542892.db2.gz CPXHXCYJWFXXDR-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000566729382 448545550 /nfs/dbraw/zinc/54/55/50/448545550.db2.gz KHRGFKGIROALAV-NUEKZKHPSA-N 2 2 349.479 1.358 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@H+]1C[C@H](C)O ZINC000566729382 448545555 /nfs/dbraw/zinc/54/55/55/448545555.db2.gz KHRGFKGIROALAV-NUEKZKHPSA-N 2 2 349.479 1.358 20 0 EDADLP C[C@H]1C[NH+](CC(O)C[N@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000573245093 448578520 /nfs/dbraw/zinc/57/85/20/448578520.db2.gz JMYBMOBOZCNTHB-HOTGVXAUSA-N 2 2 338.492 1.634 20 0 EDADLP C[C@H]1C[NH+](CC(O)C[N@@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000573245093 448578526 /nfs/dbraw/zinc/57/85/26/448578526.db2.gz JMYBMOBOZCNTHB-HOTGVXAUSA-N 2 2 338.492 1.634 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)C2)C1 ZINC000584772359 448625509 /nfs/dbraw/zinc/62/55/09/448625509.db2.gz OAPVOVXGZAEQAX-KRWDZBQOSA-N 2 2 326.404 1.220 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)C2)C1 ZINC000584772359 448625516 /nfs/dbraw/zinc/62/55/16/448625516.db2.gz OAPVOVXGZAEQAX-KRWDZBQOSA-N 2 2 326.404 1.220 20 0 EDADLP COCCc1noc(CC2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000528627807 448609000 /nfs/dbraw/zinc/60/90/00/448609000.db2.gz QSBFGDVNVNKTDP-UHFFFAOYSA-N 2 2 333.436 1.800 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000584721573 448609458 /nfs/dbraw/zinc/60/94/58/448609458.db2.gz BNSYLJGHNZBHEW-MRXNPFEDSA-N 2 2 340.427 1.916 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000567110588 448616199 /nfs/dbraw/zinc/61/61/99/448616199.db2.gz NLKOMTOVLTYYEL-LEWJYISDSA-N 2 2 340.467 1.599 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)C[N@H+]1CCc2ccccc2C1 ZINC000567110588 448616203 /nfs/dbraw/zinc/61/62/03/448616203.db2.gz NLKOMTOVLTYYEL-LEWJYISDSA-N 2 2 340.467 1.599 20 0 EDADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000573411380 448617738 /nfs/dbraw/zinc/61/77/38/448617738.db2.gz INRCKUQNFVOVGJ-OAHLLOKOSA-N 2 2 337.489 1.095 20 0 EDADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000573411380 448617744 /nfs/dbraw/zinc/61/77/44/448617744.db2.gz INRCKUQNFVOVGJ-OAHLLOKOSA-N 2 2 337.489 1.095 20 0 EDADLP CN(CC1CC[NH+](C)CC1)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000517765486 448617793 /nfs/dbraw/zinc/61/77/93/448617793.db2.gz UGKCXZYLVYMFFE-UHFFFAOYSA-N 2 2 329.448 1.812 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000517392383 448580461 /nfs/dbraw/zinc/58/04/61/448580461.db2.gz YUIKBWBHLOMBEV-AWEZNQCLSA-N 2 2 330.432 1.845 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000517392383 448580464 /nfs/dbraw/zinc/58/04/64/448580464.db2.gz YUIKBWBHLOMBEV-AWEZNQCLSA-N 2 2 330.432 1.845 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)NCCn1cc[nH+]c1 ZINC000518139746 448647324 /nfs/dbraw/zinc/64/73/24/448647324.db2.gz YYTHEQBXNDTHKM-HNNXBMFYSA-N 2 2 329.404 1.248 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)C1 ZINC000584875579 448661919 /nfs/dbraw/zinc/66/19/19/448661919.db2.gz ROVSGIYVZFMEQM-FXAWDEMLSA-N 2 2 341.455 1.384 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)C1 ZINC000584875579 448661925 /nfs/dbraw/zinc/66/19/25/448661925.db2.gz ROVSGIYVZFMEQM-FXAWDEMLSA-N 2 2 341.455 1.384 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)C1 ZINC000584875579 448661931 /nfs/dbraw/zinc/66/19/31/448661931.db2.gz ROVSGIYVZFMEQM-FXAWDEMLSA-N 2 2 341.455 1.384 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)C1 ZINC000584875579 448661940 /nfs/dbraw/zinc/66/19/40/448661940.db2.gz ROVSGIYVZFMEQM-FXAWDEMLSA-N 2 2 341.455 1.384 20 0 EDADLP COC(=O)[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000592128911 448698873 /nfs/dbraw/zinc/69/88/73/448698873.db2.gz SQJGQUOSKATXIO-CRAIPNDOSA-N 2 2 332.444 1.760 20 0 EDADLP COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000592128911 448698879 /nfs/dbraw/zinc/69/88/79/448698879.db2.gz SQJGQUOSKATXIO-CRAIPNDOSA-N 2 2 332.444 1.760 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000542781384 448718813 /nfs/dbraw/zinc/71/88/13/448718813.db2.gz LJEYLDLDYDZYDW-UHFFFAOYSA-N 2 2 338.415 2.083 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000518488620 448683734 /nfs/dbraw/zinc/68/37/34/448683734.db2.gz OSJCBKYFUZJTIF-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000518488620 448683739 /nfs/dbraw/zinc/68/37/39/448683739.db2.gz OSJCBKYFUZJTIF-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)NC1CCN(c2cccc[nH+]2)CC1 ZINC000529288602 448809040 /nfs/dbraw/zinc/80/90/40/448809040.db2.gz CHBKWTSALQOOEJ-OAHLLOKOSA-N 2 2 329.448 1.634 20 0 EDADLP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000568167543 448827319 /nfs/dbraw/zinc/82/73/19/448827319.db2.gz IPROXJAHJZXSIO-DLBZAZTESA-N 2 2 345.443 1.796 20 0 EDADLP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000568167543 448827327 /nfs/dbraw/zinc/82/73/27/448827327.db2.gz IPROXJAHJZXSIO-DLBZAZTESA-N 2 2 345.443 1.796 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000546715531 448845031 /nfs/dbraw/zinc/84/50/31/448845031.db2.gz GHEKQBPKHTZIMC-UHFFFAOYSA-N 2 2 339.443 1.960 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000519834753 448855810 /nfs/dbraw/zinc/85/58/10/448855810.db2.gz SQBOIBFGVJGCAM-MRXNPFEDSA-N 2 2 348.491 1.939 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000519834753 448855817 /nfs/dbraw/zinc/85/58/17/448855817.db2.gz SQBOIBFGVJGCAM-MRXNPFEDSA-N 2 2 348.491 1.939 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000520789127 448929157 /nfs/dbraw/zinc/92/91/57/448929157.db2.gz PXVPAJLGJPWRML-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000520789127 448929161 /nfs/dbraw/zinc/92/91/61/448929161.db2.gz PXVPAJLGJPWRML-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000520393179 448891289 /nfs/dbraw/zinc/89/12/89/448891289.db2.gz MGIRQPVPXZXDBQ-SMDDNHRTSA-N 2 2 331.869 1.206 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc2[nH+]1 ZINC000574973602 449001459 /nfs/dbraw/zinc/00/14/59/449001459.db2.gz YYPHTNOFJMPQLL-CFVMTHIKSA-N 2 2 341.415 1.167 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCNC(=O)C(C)C)c2cc1C ZINC000569351186 449009557 /nfs/dbraw/zinc/00/95/57/449009557.db2.gz SDOATHHXMFILCD-OAHLLOKOSA-N 2 2 332.448 1.376 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569366833 449015639 /nfs/dbraw/zinc/01/56/39/449015639.db2.gz MYYLKHBAEKWGPM-SJORKVTESA-N 2 2 326.444 1.735 20 0 EDADLP CCc1cc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)[nH]n1 ZINC000575242419 449068300 /nfs/dbraw/zinc/06/83/00/449068300.db2.gz ZAJGAYXFBRHBLV-UHFFFAOYSA-N 2 2 333.480 1.604 20 0 EDADLP CCc1cc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)[nH]n1 ZINC000575242419 449068302 /nfs/dbraw/zinc/06/83/02/449068302.db2.gz ZAJGAYXFBRHBLV-UHFFFAOYSA-N 2 2 333.480 1.604 20 0 EDADLP COC(=O)c1ccc2c(c1)[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCC2 ZINC000595954943 449279737 /nfs/dbraw/zinc/27/97/37/449279737.db2.gz GRATVOYRCLFRFS-RDJZCZTQSA-N 2 2 347.459 1.288 20 0 EDADLP COC(=O)[C@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000611574924 449342763 /nfs/dbraw/zinc/34/27/63/449342763.db2.gz KODDDXLHDWVOKG-MRXNPFEDSA-N 2 2 337.464 1.147 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C[C@H]1C ZINC000602132321 449370446 /nfs/dbraw/zinc/37/04/46/449370446.db2.gz XVAXZFIHULEYAW-ZBFHGGJFSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C[C@H]1C ZINC000602132321 449370447 /nfs/dbraw/zinc/37/04/47/449370447.db2.gz XVAXZFIHULEYAW-ZBFHGGJFSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C[C@H]1C ZINC000602132321 449370451 /nfs/dbraw/zinc/37/04/51/449370451.db2.gz XVAXZFIHULEYAW-ZBFHGGJFSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)C[C@H]1C ZINC000602132321 449370452 /nfs/dbraw/zinc/37/04/52/449370452.db2.gz XVAXZFIHULEYAW-ZBFHGGJFSA-N 2 2 337.464 1.099 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1CCC2(C[NH+](C)C2)C1)C(F)(F)F ZINC000614034883 449426048 /nfs/dbraw/zinc/42/60/48/449426048.db2.gz PICZJSIMYSMURT-NSHDSACASA-N 2 2 330.354 1.620 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000611965177 449493995 /nfs/dbraw/zinc/49/39/95/449493995.db2.gz LVNTUJULYSDLBI-HOCLYGCPSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000611965177 449494003 /nfs/dbraw/zinc/49/40/03/449494003.db2.gz LVNTUJULYSDLBI-HOCLYGCPSA-N 2 2 339.480 1.251 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccccc1 ZINC000602397215 449563711 /nfs/dbraw/zinc/56/37/11/449563711.db2.gz XOKISTMYITXKDF-INIZCTEOSA-N 2 2 327.432 1.903 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000602397215 449563718 /nfs/dbraw/zinc/56/37/18/449563718.db2.gz XOKISTMYITXKDF-INIZCTEOSA-N 2 2 327.432 1.903 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000602480200 449623450 /nfs/dbraw/zinc/62/34/50/449623450.db2.gz AILRBQASIIWBFC-QGZVFWFLSA-N 2 2 348.491 1.792 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000602480200 449623456 /nfs/dbraw/zinc/62/34/56/449623456.db2.gz AILRBQASIIWBFC-QGZVFWFLSA-N 2 2 348.491 1.792 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000617555295 449686017 /nfs/dbraw/zinc/68/60/17/449686017.db2.gz TYRWWAIUQUXPIX-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000617555295 449686022 /nfs/dbraw/zinc/68/60/22/449686022.db2.gz TYRWWAIUQUXPIX-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+](C)C1 ZINC000617555295 449686025 /nfs/dbraw/zinc/68/60/25/449686025.db2.gz TYRWWAIUQUXPIX-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+](C)C1 ZINC000617555295 449686029 /nfs/dbraw/zinc/68/60/29/449686029.db2.gz TYRWWAIUQUXPIX-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)c2ccccc2O1 ZINC000612400681 449679614 /nfs/dbraw/zinc/67/96/14/449679614.db2.gz OZQAHLIAEAQRQR-GOEBONIOSA-N 2 2 340.427 1.801 20 0 EDADLP C[C@H](c1cccc(NC(=O)CN2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000601000940 449645863 /nfs/dbraw/zinc/64/58/63/449645863.db2.gz RHBRNZULUGYKAU-MRXNPFEDSA-N 2 2 346.475 1.266 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875221 449789757 /nfs/dbraw/zinc/78/97/57/449789757.db2.gz AWERRMPZYWAIRS-DZKIICNBSA-N 2 2 344.459 1.381 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594875221 449789762 /nfs/dbraw/zinc/78/97/62/449789762.db2.gz AWERRMPZYWAIRS-DZKIICNBSA-N 2 2 344.459 1.381 20 0 EDADLP CC1(C)C[NH+](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000614672055 449753380 /nfs/dbraw/zinc/75/33/80/449753380.db2.gz OEDRLVGLSDVEBK-UHFFFAOYSA-N 2 2 336.505 1.949 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(C4CCC4)no3)C2)CC1 ZINC000602786720 449807778 /nfs/dbraw/zinc/80/77/78/449807778.db2.gz TVZGCZNQAXKUEN-INIZCTEOSA-N 2 2 333.480 1.937 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(C4CCC4)no3)C2)CC1 ZINC000602786720 449807784 /nfs/dbraw/zinc/80/77/84/449807784.db2.gz TVZGCZNQAXKUEN-INIZCTEOSA-N 2 2 333.480 1.937 20 0 EDADLP CCOc1c(F)cccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766199 449828645 /nfs/dbraw/zinc/82/86/45/449828645.db2.gz BNMDDVWGWAJXBW-UHFFFAOYSA-N 2 2 325.428 1.838 20 0 EDADLP CCOc1c(F)cccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766199 449828649 /nfs/dbraw/zinc/82/86/49/449828649.db2.gz BNMDDVWGWAJXBW-UHFFFAOYSA-N 2 2 325.428 1.838 20 0 EDADLP CCOc1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000617766204 449829545 /nfs/dbraw/zinc/82/95/45/449829545.db2.gz BTFYTZPEFKSYAL-UHFFFAOYSA-N 2 2 342.871 1.747 20 0 EDADLP CCOc1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000617766204 449829549 /nfs/dbraw/zinc/82/95/49/449829549.db2.gz BTFYTZPEFKSYAL-UHFFFAOYSA-N 2 2 342.871 1.747 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000601326770 449833126 /nfs/dbraw/zinc/83/31/26/449833126.db2.gz PICQEWSXZGDKGX-GOEBONIOSA-N 2 2 329.404 1.206 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000601326770 449833133 /nfs/dbraw/zinc/83/31/33/449833133.db2.gz PICQEWSXZGDKGX-GOEBONIOSA-N 2 2 329.404 1.206 20 0 EDADLP Cc1nn(C)c2nc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc12 ZINC000617768124 449833523 /nfs/dbraw/zinc/83/35/23/449833523.db2.gz PZUUBISJNOGPDD-UHFFFAOYSA-N 2 2 346.479 1.198 20 0 EDADLP Cc1nn(C)c2nc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000617768124 449833529 /nfs/dbraw/zinc/83/35/29/449833529.db2.gz PZUUBISJNOGPDD-UHFFFAOYSA-N 2 2 346.479 1.198 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875224 449790182 /nfs/dbraw/zinc/79/01/82/449790182.db2.gz AWERRMPZYWAIRS-SQWLQELKSA-N 2 2 344.459 1.381 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594875224 449790186 /nfs/dbraw/zinc/79/01/86/449790186.db2.gz AWERRMPZYWAIRS-SQWLQELKSA-N 2 2 344.459 1.381 20 0 EDADLP c1cc2n(n1)C[C@@H](C[NH2+]CC1([NH+]3CCSCC3)CCCC1)CN2 ZINC000595141465 449897641 /nfs/dbraw/zinc/89/76/41/449897641.db2.gz MXHNWPIAUSPRKH-HNNXBMFYSA-N 2 2 335.521 1.876 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000612895338 449931831 /nfs/dbraw/zinc/93/18/31/449931831.db2.gz BMBSCHXNJLAEJR-ZMSDIMECSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000612895338 449931835 /nfs/dbraw/zinc/93/18/35/449931835.db2.gz BMBSCHXNJLAEJR-ZMSDIMECSA-N 2 2 338.402 1.761 20 0 EDADLP CC[C@H](C(=O)N(CC)[C@@H]1CC[NH+](CC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000617925064 449922086 /nfs/dbraw/zinc/92/20/86/449922086.db2.gz DUKWCFBYHZGRHU-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N(CC)[C@@H]1CC[NH+](CC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000617925064 449922092 /nfs/dbraw/zinc/92/20/92/449922092.db2.gz DUKWCFBYHZGRHU-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617925064 449922095 /nfs/dbraw/zinc/92/20/95/449922095.db2.gz DUKWCFBYHZGRHU-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617925064 449922099 /nfs/dbraw/zinc/92/20/99/449922099.db2.gz DUKWCFBYHZGRHU-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000615277472 450042081 /nfs/dbraw/zinc/04/20/81/450042081.db2.gz BPTSHBCELQHJCC-UHFFFAOYSA-N 2 2 346.431 1.003 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@]2(CC[NH+](C)C2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000615605150 450163141 /nfs/dbraw/zinc/16/31/41/450163141.db2.gz TUKLXFWSCFSDLW-ZIFCJYIRSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@]2(CC[NH+](C)C2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000615605150 450163145 /nfs/dbraw/zinc/16/31/45/450163145.db2.gz TUKLXFWSCFSDLW-ZIFCJYIRSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)[NH+]1CCO[C@H](CC)C1 ZINC000615605150 450163148 /nfs/dbraw/zinc/16/31/48/450163148.db2.gz TUKLXFWSCFSDLW-ZIFCJYIRSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1CCO[C@H](CC)C1 ZINC000615605150 450163152 /nfs/dbraw/zinc/16/31/52/450163152.db2.gz TUKLXFWSCFSDLW-ZIFCJYIRSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000595545555 450221031 /nfs/dbraw/zinc/22/10/31/450221031.db2.gz JHCVXQRWEQBGEO-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000595545555 450221034 /nfs/dbraw/zinc/22/10/34/450221034.db2.gz JHCVXQRWEQBGEO-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000595545555 450221036 /nfs/dbraw/zinc/22/10/36/450221036.db2.gz JHCVXQRWEQBGEO-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000595545555 450221038 /nfs/dbraw/zinc/22/10/38/450221038.db2.gz JHCVXQRWEQBGEO-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000626023997 450555700 /nfs/dbraw/zinc/55/57/00/450555700.db2.gz YHCISMPPDOJDPO-BRWVUGGUSA-N 2 2 348.491 1.760 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000623705212 450568571 /nfs/dbraw/zinc/56/85/71/450568571.db2.gz LJDQJHXSYLZVJA-UHFFFAOYSA-N 2 2 335.452 1.170 20 0 EDADLP CCOc1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)ccc1OC(F)F ZINC000623836200 450608787 /nfs/dbraw/zinc/60/87/87/450608787.db2.gz PAKWJULVCOOLTL-ZDUSSCGKSA-N 2 2 330.375 1.843 20 0 EDADLP CCOc1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)ccc1OC(F)F ZINC000623836200 450608794 /nfs/dbraw/zinc/60/87/94/450608794.db2.gz PAKWJULVCOOLTL-ZDUSSCGKSA-N 2 2 330.375 1.843 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCCO1 ZINC000623881620 450624260 /nfs/dbraw/zinc/62/42/60/450624260.db2.gz UWDHUSHNRPVQOX-IRXDYDNUSA-N 2 2 346.475 1.668 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]31)CC2 ZINC000626227051 450635429 /nfs/dbraw/zinc/63/54/29/450635429.db2.gz HWUQGBAJDJOJCQ-QBPKDAKJSA-N 2 2 346.475 1.464 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000633092120 450677029 /nfs/dbraw/zinc/67/70/29/450677029.db2.gz MVLNOQMDWAAUEC-MRXNPFEDSA-N 2 2 339.528 1.138 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631543977 450647025 /nfs/dbraw/zinc/64/70/25/450647025.db2.gz OMNHABLQRSPITF-GOSISDBHSA-N 2 2 343.471 1.584 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631543977 450647030 /nfs/dbraw/zinc/64/70/30/450647030.db2.gz OMNHABLQRSPITF-GOSISDBHSA-N 2 2 343.471 1.584 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000635139428 450685929 /nfs/dbraw/zinc/68/59/29/450685929.db2.gz UBGXKEYFNJJFND-CABCVRRESA-N 2 2 337.489 1.579 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000635139428 450685933 /nfs/dbraw/zinc/68/59/33/450685933.db2.gz UBGXKEYFNJJFND-CABCVRRESA-N 2 2 337.489 1.579 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000633158611 450717801 /nfs/dbraw/zinc/71/78/01/450717801.db2.gz SSOVCOYBGNCLCH-INIZCTEOSA-N 2 2 343.431 1.318 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000633158611 450717806 /nfs/dbraw/zinc/71/78/06/450717806.db2.gz SSOVCOYBGNCLCH-INIZCTEOSA-N 2 2 343.431 1.318 20 0 EDADLP O=C(Nc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1)C1CCC1 ZINC000629554790 450733592 /nfs/dbraw/zinc/73/35/92/450733592.db2.gz RIAOHCMOOCCEKI-GOSISDBHSA-N 2 2 331.460 1.972 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653056 450772799 /nfs/dbraw/zinc/77/27/99/450772799.db2.gz LQAQZQYJNXSRFZ-UHFFFAOYSA-N 2 2 339.403 1.128 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585146 450750719 /nfs/dbraw/zinc/75/07/19/450750719.db2.gz LKECXYFVNXBJHL-RWQQGDIJSA-N 2 2 337.508 1.629 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585146 450750723 /nfs/dbraw/zinc/75/07/23/450750723.db2.gz LKECXYFVNXBJHL-RWQQGDIJSA-N 2 2 337.508 1.629 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)COc1ccc2c(c1)OCO2 ZINC000629600764 450758375 /nfs/dbraw/zinc/75/83/75/450758375.db2.gz DDFLVHPTAVKYRU-HZPDHXFCSA-N 2 2 348.443 1.762 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)COc1ccc2c(c1)OCO2 ZINC000629600764 450758381 /nfs/dbraw/zinc/75/83/81/450758381.db2.gz DDFLVHPTAVKYRU-HZPDHXFCSA-N 2 2 348.443 1.762 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633253657 450759440 /nfs/dbraw/zinc/75/94/40/450759440.db2.gz YTNPCQSHXLCZID-MRXNPFEDSA-N 2 2 328.416 1.653 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633253657 450759445 /nfs/dbraw/zinc/75/94/45/450759445.db2.gz YTNPCQSHXLCZID-MRXNPFEDSA-N 2 2 328.416 1.653 20 0 EDADLP OCCC[N@@H+]1CCC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624248905 450763152 /nfs/dbraw/zinc/76/31/52/450763152.db2.gz IQNIOHQTLQPPJD-AWEZNQCLSA-N 2 2 325.416 2.141 20 0 EDADLP OCCC[N@H+]1CCC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624248905 450763155 /nfs/dbraw/zinc/76/31/55/450763155.db2.gz IQNIOHQTLQPPJD-AWEZNQCLSA-N 2 2 325.416 2.141 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000631791360 450779431 /nfs/dbraw/zinc/77/94/31/450779431.db2.gz QFFWXSOOAQZHTQ-UHFFFAOYSA-N 2 2 348.472 1.778 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCN1C1CCC1 ZINC000624343488 450801190 /nfs/dbraw/zinc/80/11/90/450801190.db2.gz WEAMKQBIXJOMOC-GOSISDBHSA-N 2 2 328.460 1.789 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886472 450847359 /nfs/dbraw/zinc/84/73/59/450847359.db2.gz IBFJKMFGBJDVJL-HKUYNNGSSA-N 2 2 345.487 1.913 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886472 450847363 /nfs/dbraw/zinc/84/73/63/450847363.db2.gz IBFJKMFGBJDVJL-HKUYNNGSSA-N 2 2 345.487 1.913 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886960 450848681 /nfs/dbraw/zinc/84/86/81/450848681.db2.gz NGEPZURIGXJURF-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886960 450848687 /nfs/dbraw/zinc/84/86/87/450848687.db2.gz NGEPZURIGXJURF-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627655609 450871196 /nfs/dbraw/zinc/87/11/96/450871196.db2.gz YQFFIXZQVWEHPW-FTJFQDGESA-N 2 2 334.370 1.641 20 0 EDADLP C[N@H+](CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCC1 ZINC000629947808 450908500 /nfs/dbraw/zinc/90/85/00/450908500.db2.gz UHPCCHOAABPIEN-UHFFFAOYSA-N 2 2 348.466 1.548 20 0 EDADLP C[N@@H+](CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCC1 ZINC000629947808 450908502 /nfs/dbraw/zinc/90/85/02/450908502.db2.gz UHPCCHOAABPIEN-UHFFFAOYSA-N 2 2 348.466 1.548 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1)C1CCC1 ZINC000629952353 450911741 /nfs/dbraw/zinc/91/17/41/450911741.db2.gz UMUFOIJUOVIPPQ-QGZVFWFLSA-N 2 2 344.459 1.559 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1)C1CCC1 ZINC000629952353 450911747 /nfs/dbraw/zinc/91/17/47/450911747.db2.gz UMUFOIJUOVIPPQ-QGZVFWFLSA-N 2 2 344.459 1.559 20 0 EDADLP C[NH+](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)C1CCC1 ZINC000629952353 450911754 /nfs/dbraw/zinc/91/17/54/450911754.db2.gz UMUFOIJUOVIPPQ-QGZVFWFLSA-N 2 2 344.459 1.559 20 0 EDADLP C[NH+](CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)C1CCC1 ZINC000629952353 450911761 /nfs/dbraw/zinc/91/17/61/450911761.db2.gz UMUFOIJUOVIPPQ-QGZVFWFLSA-N 2 2 344.459 1.559 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635410154 450917072 /nfs/dbraw/zinc/91/70/72/450917072.db2.gz DUDBACNIXFRBKJ-CHWSQXEVSA-N 3 2 326.404 1.299 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635410154 450917077 /nfs/dbraw/zinc/91/70/77/450917077.db2.gz DUDBACNIXFRBKJ-CHWSQXEVSA-N 3 2 326.404 1.299 20 0 EDADLP C[N@H+](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CC(C)(C)C ZINC000635410006 450917550 /nfs/dbraw/zinc/91/75/50/450917550.db2.gz BTNOAIJBQPKQSI-UHFFFAOYSA-N 3 2 333.480 1.750 20 0 EDADLP C[N@@H+](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CC(C)(C)C ZINC000635410006 450917557 /nfs/dbraw/zinc/91/75/57/450917557.db2.gz BTNOAIJBQPKQSI-UHFFFAOYSA-N 3 2 333.480 1.750 20 0 EDADLP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000629961754 450920880 /nfs/dbraw/zinc/92/08/80/450920880.db2.gz FVBXBBFMKBZQLY-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000629961754 450920885 /nfs/dbraw/zinc/92/08/85/450920885.db2.gz FVBXBBFMKBZQLY-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000629961754 450920889 /nfs/dbraw/zinc/92/08/89/450920889.db2.gz FVBXBBFMKBZQLY-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000629961754 450920895 /nfs/dbraw/zinc/92/08/95/450920895.db2.gz FVBXBBFMKBZQLY-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000635421824 450928634 /nfs/dbraw/zinc/92/86/34/450928634.db2.gz HPXMNFICWIAXOL-IJEWVQPXSA-N 2 2 334.464 1.615 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000635421824 450928638 /nfs/dbraw/zinc/92/86/38/450928638.db2.gz HPXMNFICWIAXOL-IJEWVQPXSA-N 2 2 334.464 1.615 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)[nH+]1 ZINC000635452322 450951872 /nfs/dbraw/zinc/95/18/72/450951872.db2.gz FAMNQXXILMWGIN-UHFFFAOYSA-N 2 2 334.464 1.476 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635487990 450985556 /nfs/dbraw/zinc/98/55/56/450985556.db2.gz AKWAOVYLQNIKPN-INIZCTEOSA-N 2 2 331.460 1.681 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635487990 450985560 /nfs/dbraw/zinc/98/55/60/450985560.db2.gz AKWAOVYLQNIKPN-INIZCTEOSA-N 2 2 331.460 1.681 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C(C)(C)c3c[nH+]c[nH]3)nc2)C1 ZINC000621926529 450941243 /nfs/dbraw/zinc/94/12/43/450941243.db2.gz LTKDBIGNRSQWLC-CQSZACIVSA-N 2 2 342.447 1.861 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C(C)(C)c3c[nH]c[nH+]3)nc2)C1 ZINC000621926529 450941246 /nfs/dbraw/zinc/94/12/46/450941246.db2.gz LTKDBIGNRSQWLC-CQSZACIVSA-N 2 2 342.447 1.861 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCCOCCC[NH3+] ZINC000626923651 451007202 /nfs/dbraw/zinc/00/72/02/451007202.db2.gz YGRWUOPMJIGTMB-UHFFFAOYSA-N 2 2 333.436 1.399 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000632112813 451045182 /nfs/dbraw/zinc/04/51/82/451045182.db2.gz JLCJHHUYGOXVKU-UHFFFAOYSA-N 2 2 329.510 1.361 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000633802336 451026476 /nfs/dbraw/zinc/02/64/76/451026476.db2.gz IEBRIAFYJRARFO-WBVHZDCISA-N 2 2 326.444 1.847 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000633802336 451026480 /nfs/dbraw/zinc/02/64/80/451026480.db2.gz IEBRIAFYJRARFO-WBVHZDCISA-N 2 2 326.444 1.847 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635537662 451034550 /nfs/dbraw/zinc/03/45/50/451034550.db2.gz CJCFDYMCBMRECG-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635537662 451034556 /nfs/dbraw/zinc/03/45/56/451034556.db2.gz CJCFDYMCBMRECG-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000635537662 451034566 /nfs/dbraw/zinc/03/45/66/451034566.db2.gz CJCFDYMCBMRECG-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000635537662 451034574 /nfs/dbraw/zinc/03/45/74/451034574.db2.gz CJCFDYMCBMRECG-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP O[C@H]1CC[N@H+](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000624779535 450993952 /nfs/dbraw/zinc/99/39/52/450993952.db2.gz RZZHSBRGPCVOEQ-INIZCTEOSA-N 2 2 325.416 1.475 20 0 EDADLP O[C@H]1CC[N@@H+](CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000624779535 450993958 /nfs/dbraw/zinc/99/39/58/450993958.db2.gz RZZHSBRGPCVOEQ-INIZCTEOSA-N 2 2 325.416 1.475 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)CCC[NH+](C)C ZINC000632300035 451182702 /nfs/dbraw/zinc/18/27/02/451182702.db2.gz FCGHVXLRHTWNQU-CQSZACIVSA-N 2 2 328.482 1.712 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)cn2)CC1 ZINC000634095349 451191217 /nfs/dbraw/zinc/19/12/17/451191217.db2.gz JMPOLPLXTYIDBA-ZDUSSCGKSA-N 2 2 328.420 1.547 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccnc(-c3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000627225962 451196210 /nfs/dbraw/zinc/19/62/10/451196210.db2.gz CKUWNNLDNRGVSI-QGZVFWFLSA-N 2 2 339.443 1.533 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3C[C@H]3c3cccnc3)c2)CC1 ZINC000634195140 451232441 /nfs/dbraw/zinc/23/24/41/451232441.db2.gz ZKAJGIQXDRNTET-DLBZAZTESA-N 2 2 337.427 1.971 20 0 EDADLP C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000632370133 451232760 /nfs/dbraw/zinc/23/27/60/451232760.db2.gz VVIIJHVHLBHTES-GDBMZVCRSA-N 2 2 348.472 1.645 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000638083525 451248505 /nfs/dbraw/zinc/24/85/05/451248505.db2.gz MZYRCAXNCKQDLN-QGZVFWFLSA-N 2 2 332.492 1.871 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000635835240 451284116 /nfs/dbraw/zinc/28/41/16/451284116.db2.gz SHQCYRGTHUEQJR-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000635835240 451284120 /nfs/dbraw/zinc/28/41/20/451284120.db2.gz SHQCYRGTHUEQJR-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000635863734 451310838 /nfs/dbraw/zinc/31/08/38/451310838.db2.gz ULQXZCRGOWYWOA-JKSUJKDBSA-N 2 2 344.390 1.836 20 0 EDADLP CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638161257 451329332 /nfs/dbraw/zinc/32/93/32/451329332.db2.gz ALWGDEAMXHNXPP-MRXNPFEDSA-N 2 2 349.475 1.212 20 0 EDADLP CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638161257 451329338 /nfs/dbraw/zinc/32/93/38/451329338.db2.gz ALWGDEAMXHNXPP-MRXNPFEDSA-N 2 2 349.475 1.212 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000638119209 451288238 /nfs/dbraw/zinc/28/82/38/451288238.db2.gz LNHGZUXEPBERAS-PZSREKOKSA-N 2 2 341.402 1.451 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630732800 451369779 /nfs/dbraw/zinc/36/97/79/451369779.db2.gz MOISXANVYDBRLP-UHFFFAOYSA-N 2 2 330.432 1.499 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630732800 451369784 /nfs/dbraw/zinc/36/97/84/451369784.db2.gz MOISXANVYDBRLP-UHFFFAOYSA-N 2 2 330.432 1.499 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638235725 451373299 /nfs/dbraw/zinc/37/32/99/451373299.db2.gz YFTXATYQYPVJMJ-SFHVURJKSA-N 2 2 326.400 1.794 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000635897231 451340852 /nfs/dbraw/zinc/34/08/52/451340852.db2.gz WXCHEZSEFOUIJU-MRXNPFEDSA-N 2 2 334.464 1.720 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000635897230 451341136 /nfs/dbraw/zinc/34/11/36/451341136.db2.gz WXCHEZSEFOUIJU-INIZCTEOSA-N 2 2 334.464 1.720 20 0 EDADLP CC1(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC[NH2+]CC1 ZINC000640491577 451344235 /nfs/dbraw/zinc/34/42/35/451344235.db2.gz CBUUJLXPQYERIH-UHFFFAOYSA-N 2 2 331.464 1.299 20 0 EDADLP C[C@]1(c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C[NH2+]CCO1 ZINC000634554567 451403363 /nfs/dbraw/zinc/40/33/63/451403363.db2.gz FPWJBHYWKAZXIL-GOSISDBHSA-N 2 2 344.415 1.404 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000635976846 451412120 /nfs/dbraw/zinc/41/21/20/451412120.db2.gz OOAVLHBSGVRZLF-OLZOCXBDSA-N 2 2 348.369 1.340 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000635976846 451412126 /nfs/dbraw/zinc/41/21/26/451412126.db2.gz OOAVLHBSGVRZLF-OLZOCXBDSA-N 2 2 348.369 1.340 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)[C@H](C)C1 ZINC000640569115 451413816 /nfs/dbraw/zinc/41/38/16/451413816.db2.gz HPOQEHGJYKGKCK-KGLIPLIRSA-N 2 2 335.452 1.062 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[NH+]2CCCC2)o1 ZINC000636697060 451422794 /nfs/dbraw/zinc/42/27/94/451422794.db2.gz AGBXSZPGSLPLQV-HOCLYGCPSA-N 2 2 343.431 1.846 20 0 EDADLP CCC(=O)N1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000634643176 451436249 /nfs/dbraw/zinc/43/62/49/451436249.db2.gz XFGDVAFUKXUCAU-FQEVSTJZSA-N 2 2 345.487 1.568 20 0 EDADLP CCC(=O)N1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000634643176 451436251 /nfs/dbraw/zinc/43/62/51/451436251.db2.gz XFGDVAFUKXUCAU-FQEVSTJZSA-N 2 2 345.487 1.568 20 0 EDADLP CCC(=O)N1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634643176 451436253 /nfs/dbraw/zinc/43/62/53/451436253.db2.gz XFGDVAFUKXUCAU-FQEVSTJZSA-N 2 2 345.487 1.568 20 0 EDADLP CCC(=O)N1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634643176 451436255 /nfs/dbraw/zinc/43/62/55/451436255.db2.gz XFGDVAFUKXUCAU-FQEVSTJZSA-N 2 2 345.487 1.568 20 0 EDADLP Cn1ncnc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000638355076 451456190 /nfs/dbraw/zinc/45/61/90/451456190.db2.gz DEDWYGSJLCWLFL-UHFFFAOYSA-N 2 2 328.464 1.113 20 0 EDADLP O=C(C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000634701289 451476318 /nfs/dbraw/zinc/47/63/18/451476318.db2.gz NBTSIQBFXSVWLK-FQEVSTJZSA-N 2 2 339.439 1.852 20 0 EDADLP O=C(C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000634701289 451476321 /nfs/dbraw/zinc/47/63/21/451476321.db2.gz NBTSIQBFXSVWLK-FQEVSTJZSA-N 2 2 339.439 1.852 20 0 EDADLP CCO[C@@H]1C[C@H](Nc2ccc(N3CC[NH+](C)CC3)c[nH+]2)[C@]12CCCO2 ZINC000638399272 451487534 /nfs/dbraw/zinc/48/75/34/451487534.db2.gz QCVSIHHFIZKHNN-YQVWRLOYSA-N 2 2 346.475 1.972 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000638428753 451509710 /nfs/dbraw/zinc/50/97/10/451509710.db2.gz BCFUGUYDIPSRJB-RBUKOAKNSA-N 2 2 346.519 1.682 20 0 EDADLP CN1CCCC[C@H]([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000634744571 451520380 /nfs/dbraw/zinc/52/03/80/451520380.db2.gz CPWQVSGUZAZBBT-IBGZPJMESA-N 2 2 345.487 1.962 20 0 EDADLP CN1CCCC[C@H]([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000634744571 451520384 /nfs/dbraw/zinc/52/03/84/451520384.db2.gz CPWQVSGUZAZBBT-IBGZPJMESA-N 2 2 345.487 1.962 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC1(F)F ZINC000638453582 451523115 /nfs/dbraw/zinc/52/31/15/451523115.db2.gz FXZGOSOQDIBFIG-UONOGXRCSA-N 2 2 338.402 1.754 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000638489830 451541892 /nfs/dbraw/zinc/54/18/92/451541892.db2.gz OMAWQQDUXSHYMK-IBGZPJMESA-N 2 2 344.503 1.504 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000636159254 451554119 /nfs/dbraw/zinc/55/41/19/451554119.db2.gz DNEXSWWBTQXGTL-OTWHNJEPSA-N 2 2 343.471 1.440 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000636159254 451554122 /nfs/dbraw/zinc/55/41/22/451554122.db2.gz DNEXSWWBTQXGTL-OTWHNJEPSA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000636159254 451554125 /nfs/dbraw/zinc/55/41/25/451554125.db2.gz DNEXSWWBTQXGTL-OTWHNJEPSA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000636159254 451554129 /nfs/dbraw/zinc/55/41/29/451554129.db2.gz DNEXSWWBTQXGTL-OTWHNJEPSA-N 2 2 343.471 1.440 20 0 EDADLP OC1CC[NH+](CCC[NH2+]Cc2ccncc2Br)CC1 ZINC000631050619 451554992 /nfs/dbraw/zinc/55/49/92/451554992.db2.gz WLLAIEOACYLHTF-UHFFFAOYSA-N 2 2 328.254 1.781 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC([C@@H]4CCC[NH2+]4)CC3)[nH+]cn2)CC1 ZINC000634807665 451564292 /nfs/dbraw/zinc/56/42/92/451564292.db2.gz WQQRBTLIITXHQD-INIZCTEOSA-N 2 2 345.491 1.796 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC([C@@H]4CCC[NH2+]4)CC3)nc[nH+]2)CC1 ZINC000634807665 451564295 /nfs/dbraw/zinc/56/42/95/451564295.db2.gz WQQRBTLIITXHQD-INIZCTEOSA-N 2 2 345.491 1.796 20 0 EDADLP O[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631100554 451584373 /nfs/dbraw/zinc/58/43/73/451584373.db2.gz YKDBMNDVFNQLCN-IYARVYRRSA-N 2 2 334.460 1.791 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)nc(C(C)C)[nH+]1 ZINC000638583728 451589447 /nfs/dbraw/zinc/58/94/47/451589447.db2.gz DLLRNYNUVIGNSG-GJZGRUSLSA-N 2 2 331.464 1.967 20 0 EDADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(F)cc1Br ZINC000631113537 451590977 /nfs/dbraw/zinc/59/09/77/451590977.db2.gz YVHVJUDPPLOLGO-CQSZACIVSA-N 2 2 347.228 1.753 20 0 EDADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(F)cc1Br ZINC000631113537 451590985 /nfs/dbraw/zinc/59/09/85/451590985.db2.gz YVHVJUDPPLOLGO-CQSZACIVSA-N 2 2 347.228 1.753 20 0 EDADLP c1c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631179891 451628395 /nfs/dbraw/zinc/62/83/95/451628395.db2.gz XWPBSSIZPRKKSW-DLBZAZTESA-N 2 2 333.480 1.526 20 0 EDADLP c1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631179891 451628402 /nfs/dbraw/zinc/62/84/02/451628402.db2.gz XWPBSSIZPRKKSW-DLBZAZTESA-N 2 2 333.480 1.526 20 0 EDADLP CC(C)(C(=O)N1CC[NH+](CCc2ccncc2)CC1)c1c[nH+]c[nH]1 ZINC000636295202 451664820 /nfs/dbraw/zinc/66/48/20/451664820.db2.gz NSJNEYXOAKUEDR-UHFFFAOYSA-N 2 2 327.432 1.469 20 0 EDADLP COc1cccnc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247535 451660289 /nfs/dbraw/zinc/66/02/89/451660289.db2.gz WPMWEEFRGTZXFQ-HNNXBMFYSA-N 2 2 332.448 1.331 20 0 EDADLP COc1cccnc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247535 451660295 /nfs/dbraw/zinc/66/02/95/451660295.db2.gz WPMWEEFRGTZXFQ-HNNXBMFYSA-N 2 2 332.448 1.331 20 0 EDADLP C[C@@H]1C[C@H]1c1noc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631363029 451711686 /nfs/dbraw/zinc/71/16/86/451711686.db2.gz HENGBBKGRANXQH-MBNYWOFBSA-N 2 2 333.436 1.091 20 0 EDADLP C[C@@H]1C[C@H]1c1noc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631363029 451711688 /nfs/dbraw/zinc/71/16/88/451711688.db2.gz HENGBBKGRANXQH-MBNYWOFBSA-N 2 2 333.436 1.091 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636296955 451666670 /nfs/dbraw/zinc/66/66/70/451666670.db2.gz MIEPVCAZDIJLFO-IAGOWNOFSA-N 2 2 330.476 1.641 20 0 EDADLP CC(C)Oc1cncc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638984150 451745585 /nfs/dbraw/zinc/74/55/85/451745585.db2.gz IFSQCJVHLPDJBT-UHFFFAOYSA-N 2 2 341.415 1.926 20 0 EDADLP COc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(OC)c1 ZINC000638987743 451747772 /nfs/dbraw/zinc/74/77/72/451747772.db2.gz YBTQIZQTPVTESO-UHFFFAOYSA-N 2 2 342.399 1.761 20 0 EDADLP Cn1nnc2cc(C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)ccc21 ZINC000638987824 451747947 /nfs/dbraw/zinc/74/79/47/451747947.db2.gz KTRUUYYQXAMFOV-UHFFFAOYSA-N 2 2 337.387 1.025 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000639120494 451772107 /nfs/dbraw/zinc/77/21/07/451772107.db2.gz RXBVAZCJIVAPIE-SFHVURJKSA-N 2 2 346.471 1.866 20 0 EDADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)[C@H]1c1ccccc1 ZINC000639156047 451780405 /nfs/dbraw/zinc/78/04/05/451780405.db2.gz YISAJFIAMVYUOI-GDBMZVCRSA-N 2 2 326.448 1.474 20 0 EDADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)[C@H]1c1ccccc1 ZINC000639156047 451780406 /nfs/dbraw/zinc/78/04/06/451780406.db2.gz YISAJFIAMVYUOI-GDBMZVCRSA-N 2 2 326.448 1.474 20 0 EDADLP Cn1c2cc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)ccc2oc1=O ZINC000639330645 451829836 /nfs/dbraw/zinc/82/98/36/451829836.db2.gz MZXDJGKNCLOOTR-OAHLLOKOSA-N 2 2 331.416 1.163 20 0 EDADLP Cn1c2cc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)ccc2oc1=O ZINC000639330645 451829841 /nfs/dbraw/zinc/82/98/41/451829841.db2.gz MZXDJGKNCLOOTR-OAHLLOKOSA-N 2 2 331.416 1.163 20 0 EDADLP CC(C)CC[C@H](O)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000644533787 451847299 /nfs/dbraw/zinc/84/72/99/451847299.db2.gz FEVIYABIBQHVDS-IBGZPJMESA-N 3 2 334.508 1.980 20 0 EDADLP Cc1ccc([C@@H](CNC[C@@H](O)C[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000644535337 451848500 /nfs/dbraw/zinc/84/85/00/451848500.db2.gz GAPQGJGNFZSIFY-IAGOWNOFSA-N 2 2 337.464 1.008 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)C[NH+]3CC(C)(C)C3)CC2)oc1C ZINC000646809770 451856863 /nfs/dbraw/zinc/85/68/63/451856863.db2.gz ZOXHLHLPWHERLI-UHFFFAOYSA-N 2 2 348.491 1.961 20 0 EDADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000644559348 451859974 /nfs/dbraw/zinc/85/99/74/451859974.db2.gz IEBCCBFOJIJACB-LSDHHAIUSA-N 2 2 341.883 1.224 20 0 EDADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000644559348 451859981 /nfs/dbraw/zinc/85/99/81/451859981.db2.gz IEBCCBFOJIJACB-LSDHHAIUSA-N 2 2 341.883 1.224 20 0 EDADLP C[N@@H+]1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000641398749 451937477 /nfs/dbraw/zinc/93/74/77/451937477.db2.gz KFEBWDSUKITIAH-CVEARBPZSA-N 2 2 334.445 1.248 20 0 EDADLP C[N@H+]1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000641398749 451937484 /nfs/dbraw/zinc/93/74/84/451937484.db2.gz KFEBWDSUKITIAH-CVEARBPZSA-N 2 2 334.445 1.248 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000644695034 451940759 /nfs/dbraw/zinc/94/07/59/451940759.db2.gz XKNVLPPMLADSED-DOTOQJQBSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000644695034 451940764 /nfs/dbraw/zinc/94/07/64/451940764.db2.gz XKNVLPPMLADSED-DOTOQJQBSA-N 2 2 340.427 1.651 20 0 EDADLP CC(C)c1[nH+]c(CN2CC[NH+](CC(=O)N(C)C)CC2)c2ccccn21 ZINC000651608889 451957924 /nfs/dbraw/zinc/95/79/24/451957924.db2.gz HQBBWMYDAKQTFN-UHFFFAOYSA-N 2 2 343.475 1.664 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000641468710 452004546 /nfs/dbraw/zinc/00/45/46/452004546.db2.gz CVLXIYKVBQOAJM-GJZGRUSLSA-N 2 2 334.464 1.648 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@H](C)[NH3+])[C@@H](C)C1 ZINC000641468710 452004553 /nfs/dbraw/zinc/00/45/53/452004553.db2.gz CVLXIYKVBQOAJM-GJZGRUSLSA-N 2 2 334.464 1.648 20 0 EDADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000649330334 452012300 /nfs/dbraw/zinc/01/23/00/452012300.db2.gz RIZREFZLZAQRPP-SJORKVTESA-N 2 2 331.460 1.044 20 0 EDADLP C[C@H]([NH2+]C1(CNC(=O)[C@]2([NH3+])CCN(C)C2)CCCC1)c1ccccc1 ZINC000649331704 452013255 /nfs/dbraw/zinc/01/32/55/452013255.db2.gz PFJVYVHJKMJRRW-JXFKEZNVSA-N 2 2 344.503 1.799 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000653557507 452014068 /nfs/dbraw/zinc/01/40/68/452014068.db2.gz XXQPVOXEHBRCOT-CABCVRRESA-N 2 2 334.382 1.815 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000653557507 452014075 /nfs/dbraw/zinc/01/40/75/452014075.db2.gz XXQPVOXEHBRCOT-CABCVRRESA-N 2 2 334.382 1.815 20 0 EDADLP COC[C@@]1(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CCC[NH2+]1 ZINC000649336435 452016839 /nfs/dbraw/zinc/01/68/39/452016839.db2.gz UIWKZTNAAWYAGJ-WMLDXEAASA-N 2 2 341.402 1.452 20 0 EDADLP COC[C@@H](CC(C)(C)C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000651694886 452018887 /nfs/dbraw/zinc/01/88/87/452018887.db2.gz UXWWGVJUDAOPBQ-CVEARBPZSA-N 2 2 327.513 1.970 20 0 EDADLP COC[C@@H](CC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000651694886 452018893 /nfs/dbraw/zinc/01/88/93/452018893.db2.gz UXWWGVJUDAOPBQ-CVEARBPZSA-N 2 2 327.513 1.970 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649339313 452019484 /nfs/dbraw/zinc/01/94/84/452019484.db2.gz LRNMUGJWXLIDLR-ZACQAIPSSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000641492805 452024104 /nfs/dbraw/zinc/02/41/04/452024104.db2.gz GISCJXHAKJUOFE-XIRDDKMYSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000641492805 452024112 /nfs/dbraw/zinc/02/41/12/452024112.db2.gz GISCJXHAKJUOFE-XIRDDKMYSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000641492804 452024333 /nfs/dbraw/zinc/02/43/33/452024333.db2.gz GISCJXHAKJUOFE-USXIJHARSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000641492804 452024339 /nfs/dbraw/zinc/02/43/39/452024339.db2.gz GISCJXHAKJUOFE-USXIJHARSA-N 3 2 339.528 1.312 20 0 EDADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000651710840 452028544 /nfs/dbraw/zinc/02/85/44/452028544.db2.gz PTERZMINHSCKKL-LJQANCHMSA-N 2 2 327.476 1.825 20 0 EDADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000651710840 452028550 /nfs/dbraw/zinc/02/85/50/452028550.db2.gz PTERZMINHSCKKL-LJQANCHMSA-N 2 2 327.476 1.825 20 0 EDADLP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000653618240 452042852 /nfs/dbraw/zinc/04/28/52/452042852.db2.gz XCKFHQUKRCCNCK-MJGOQNOKSA-N 2 2 335.492 1.526 20 0 EDADLP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000653618240 452042855 /nfs/dbraw/zinc/04/28/55/452042855.db2.gz XCKFHQUKRCCNCK-MJGOQNOKSA-N 2 2 335.492 1.526 20 0 EDADLP CC[C@@H]1CN(c2ccccc2)CC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000653618240 452042862 /nfs/dbraw/zinc/04/28/62/452042862.db2.gz XCKFHQUKRCCNCK-MJGOQNOKSA-N 2 2 335.492 1.526 20 0 EDADLP CC[C@@H]1CN(c2ccccc2)CC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000653618240 452042868 /nfs/dbraw/zinc/04/28/68/452042868.db2.gz XCKFHQUKRCCNCK-MJGOQNOKSA-N 2 2 335.492 1.526 20 0 EDADLP Cc1cc(C)n(CC[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000649416221 452077887 /nfs/dbraw/zinc/07/78/87/452077887.db2.gz YJGJXPHYLAARHF-KRWDZBQOSA-N 2 2 342.491 1.878 20 0 EDADLP Cc1cc(C)n(CC[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000649416221 452077892 /nfs/dbraw/zinc/07/78/92/452077892.db2.gz YJGJXPHYLAARHF-KRWDZBQOSA-N 2 2 342.491 1.878 20 0 EDADLP CN(C(=O)CCc1ncccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643230262 452085006 /nfs/dbraw/zinc/08/50/06/452085006.db2.gz AXHYVXWPVWEVNK-MRXNPFEDSA-N 2 2 331.464 1.036 20 0 EDADLP CN(C(=O)CCc1ncccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643230262 452085011 /nfs/dbraw/zinc/08/50/11/452085011.db2.gz AXHYVXWPVWEVNK-MRXNPFEDSA-N 2 2 331.464 1.036 20 0 EDADLP COc1ncncc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000647168559 452101622 /nfs/dbraw/zinc/10/16/22/452101622.db2.gz AWODMSNHSLRNNE-UHFFFAOYSA-N 2 2 328.416 1.607 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647168092 452101768 /nfs/dbraw/zinc/10/17/68/452101768.db2.gz GPHRIWARICQHPJ-KRWDZBQOSA-N 2 2 329.448 1.714 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647168092 452101774 /nfs/dbraw/zinc/10/17/74/452101774.db2.gz GPHRIWARICQHPJ-KRWDZBQOSA-N 2 2 329.448 1.714 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763000 452102799 /nfs/dbraw/zinc/10/27/99/452102799.db2.gz BNYWKWGGIHXUFF-IEBWSBKVSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763000 452102802 /nfs/dbraw/zinc/10/28/02/452102802.db2.gz BNYWKWGGIHXUFF-IEBWSBKVSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639763332 452103937 /nfs/dbraw/zinc/10/39/37/452103937.db2.gz CHXAISAIJQFLJH-IEBWSBKVSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639763332 452103941 /nfs/dbraw/zinc/10/39/41/452103941.db2.gz CHXAISAIJQFLJH-IEBWSBKVSA-N 2 2 336.476 1.432 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000647172200 452104791 /nfs/dbraw/zinc/10/47/91/452104791.db2.gz MIPPTGUEAGNTSY-CHWSQXEVSA-N 2 2 327.425 1.190 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000647172200 452104796 /nfs/dbraw/zinc/10/47/96/452104796.db2.gz MIPPTGUEAGNTSY-CHWSQXEVSA-N 2 2 327.425 1.190 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](CCc2cncc(C)n2)CC1 ZINC000649514929 452118254 /nfs/dbraw/zinc/11/82/54/452118254.db2.gz BFOFHGCKJCZGMR-UHFFFAOYSA-N 2 2 328.464 1.752 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+](CCc2cncc(C)n2)CC1 ZINC000649514929 452118258 /nfs/dbraw/zinc/11/82/58/452118258.db2.gz BFOFHGCKJCZGMR-UHFFFAOYSA-N 2 2 328.464 1.752 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792518 452130892 /nfs/dbraw/zinc/13/08/92/452130892.db2.gz RNIWOVABOPENGC-NVXWUHKLSA-N 2 2 326.444 1.874 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792518 452130899 /nfs/dbraw/zinc/13/08/99/452130899.db2.gz RNIWOVABOPENGC-NVXWUHKLSA-N 2 2 326.444 1.874 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792518 452130901 /nfs/dbraw/zinc/13/09/01/452130901.db2.gz RNIWOVABOPENGC-NVXWUHKLSA-N 2 2 326.444 1.874 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792518 452130908 /nfs/dbraw/zinc/13/09/08/452130908.db2.gz RNIWOVABOPENGC-NVXWUHKLSA-N 2 2 326.444 1.874 20 0 EDADLP CN(C)C(=O)c1ccc(OC2CC[NH+](CCn3cc[nH+]c3)CC2)nc1 ZINC000639806034 452143045 /nfs/dbraw/zinc/14/30/45/452143045.db2.gz WATCUXZFBOIONS-UHFFFAOYSA-N 2 2 343.431 1.523 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1C ZINC000647249287 452145731 /nfs/dbraw/zinc/14/57/31/452145731.db2.gz PRBLGPDUDJGSHD-AEFFLSMTSA-N 3 2 327.476 1.921 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1C ZINC000647249287 452145736 /nfs/dbraw/zinc/14/57/36/452145736.db2.gz PRBLGPDUDJGSHD-AEFFLSMTSA-N 3 2 327.476 1.921 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645107535 452155393 /nfs/dbraw/zinc/15/53/93/452155393.db2.gz RNTLJJQAXWACIA-KGLIPLIRSA-N 2 2 326.404 1.267 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCCCO1 ZINC000653874425 452156172 /nfs/dbraw/zinc/15/61/72/452156172.db2.gz GTJSPHVJXWGFPU-QZTJIDSGSA-N 2 2 349.475 1.861 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)ccc2[nH+]1 ZINC000651901145 452157089 /nfs/dbraw/zinc/15/70/89/452157089.db2.gz XUVQNFGLKNHQBQ-UHFFFAOYSA-N 2 2 345.447 1.675 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)ccc2[nH+]1 ZINC000651901145 452157093 /nfs/dbraw/zinc/15/70/93/452157093.db2.gz XUVQNFGLKNHQBQ-UHFFFAOYSA-N 2 2 345.447 1.675 20 0 EDADLP CC(C)c1nc(NC2CC[NH+](C3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000641656548 452174193 /nfs/dbraw/zinc/17/41/93/452174193.db2.gz IFDXVFUSINCDEL-UHFFFAOYSA-N 2 2 348.495 2.116 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](Cc2cccc(OC(F)F)c2)CC1=O ZINC000649687112 452198747 /nfs/dbraw/zinc/19/87/47/452198747.db2.gz JOVJJPVSUZQIAA-UHFFFAOYSA-N 2 2 327.375 1.494 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(OC(F)F)c2)CC1=O ZINC000649687112 452198753 /nfs/dbraw/zinc/19/87/53/452198753.db2.gz JOVJJPVSUZQIAA-UHFFFAOYSA-N 2 2 327.375 1.494 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000645222127 452218874 /nfs/dbraw/zinc/21/88/74/452218874.db2.gz RXBHPRJQRYVXQL-CQSZACIVSA-N 2 2 341.402 1.630 20 0 EDADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649744805 452225703 /nfs/dbraw/zinc/22/57/03/452225703.db2.gz OHURHOAGCSJNSS-IPMKNSEASA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649744805 452225707 /nfs/dbraw/zinc/22/57/07/452225707.db2.gz OHURHOAGCSJNSS-IPMKNSEASA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@@H]1C[C@@H](O)C[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000649744805 452225713 /nfs/dbraw/zinc/22/57/13/452225713.db2.gz OHURHOAGCSJNSS-IPMKNSEASA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@@H]1C[C@@H](O)C[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000649744805 452225717 /nfs/dbraw/zinc/22/57/17/452225717.db2.gz OHURHOAGCSJNSS-IPMKNSEASA-N 2 2 334.460 1.359 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCC[NH2+]1 ZINC000643481343 452244987 /nfs/dbraw/zinc/24/49/87/452244987.db2.gz QQXMISMHQDYYMY-SJORKVTESA-N 2 2 337.489 1.847 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c2cc1C ZINC000647515084 452247780 /nfs/dbraw/zinc/24/77/80/452247780.db2.gz OTFOAASCCUYSMS-LALPHHSUSA-N 2 2 345.365 1.915 20 0 EDADLP CC[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1)[NH+](C)C ZINC000665695180 452253377 /nfs/dbraw/zinc/25/33/77/452253377.db2.gz UFYVRXLZBSFXIN-HOTGVXAUSA-N 2 2 330.432 1.975 20 0 EDADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641784346 452254235 /nfs/dbraw/zinc/25/42/35/452254235.db2.gz BZGHNHUQAUFYLK-WMZOPIPTSA-N 2 2 347.507 1.184 20 0 EDADLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCCC[NH2+]1 ZINC000643487933 452254914 /nfs/dbraw/zinc/25/49/14/452254914.db2.gz FWKVDLQKDATHMU-FZMZJTMJSA-N 2 2 347.431 1.363 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000641786210 452256616 /nfs/dbraw/zinc/25/66/16/452256616.db2.gz JIZGHVDTCQLZCA-AEFFLSMTSA-N 2 2 347.507 1.541 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641785562 452257159 /nfs/dbraw/zinc/25/71/59/452257159.db2.gz BZMHYAQUFIMOPM-RBUKOAKNSA-N 2 2 339.524 1.578 20 0 EDADLP CCCn1nccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786724 452259617 /nfs/dbraw/zinc/25/96/17/452259617.db2.gz RRODAEFXIQSTSL-QGZVFWFLSA-N 2 2 335.496 1.179 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787458 452262858 /nfs/dbraw/zinc/26/28/58/452262858.db2.gz BFKLBHCHQKXBRM-SFHVURJKSA-N 3 2 347.507 1.034 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000641787458 452262867 /nfs/dbraw/zinc/26/28/67/452262867.db2.gz BFKLBHCHQKXBRM-SFHVURJKSA-N 2 2 347.507 1.034 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)Nc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000665701513 452263075 /nfs/dbraw/zinc/26/30/75/452263075.db2.gz DJUWWHZNWKNSBJ-OWCLPIDISA-N 2 2 333.480 1.970 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000647529369 452263321 /nfs/dbraw/zinc/26/33/21/452263321.db2.gz RSBSTTWZWCJNBA-HZPDHXFCSA-N 2 2 326.412 1.002 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000647529369 452263329 /nfs/dbraw/zinc/26/33/29/452263329.db2.gz RSBSTTWZWCJNBA-HZPDHXFCSA-N 2 2 326.412 1.002 20 0 EDADLP CCc1nc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000641789324 452267428 /nfs/dbraw/zinc/26/74/28/452267428.db2.gz BHHOLCYJCZEHCM-OAHLLOKOSA-N 2 2 338.521 1.592 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000641800766 452275028 /nfs/dbraw/zinc/27/50/28/452275028.db2.gz FKPUCXZKXMUIGZ-GRYCIOLGSA-N 2 2 326.238 1.691 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1C ZINC000641804077 452280669 /nfs/dbraw/zinc/28/06/69/452280669.db2.gz AKZDRTBZTHQIAP-MCIONIFRSA-N 2 2 341.477 1.161 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1C ZINC000641804077 452280676 /nfs/dbraw/zinc/28/06/76/452280676.db2.gz AKZDRTBZTHQIAP-MCIONIFRSA-N 2 2 341.477 1.161 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000659434884 452281663 /nfs/dbraw/zinc/28/16/63/452281663.db2.gz QBHFAJMGEXCRIC-INIZCTEOSA-N 2 2 334.464 1.439 20 0 EDADLP CC(C)OCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665717551 452282134 /nfs/dbraw/zinc/28/21/34/452282134.db2.gz GKNCXWNQYWSMIJ-HNNXBMFYSA-N 2 2 340.512 1.658 20 0 EDADLP CC(C)OCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665717551 452282135 /nfs/dbraw/zinc/28/21/35/452282135.db2.gz GKNCXWNQYWSMIJ-HNNXBMFYSA-N 2 2 340.512 1.658 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1(C)C ZINC000641812864 452293304 /nfs/dbraw/zinc/29/33/04/452293304.db2.gz NLXBAXRRUONUNH-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1(C)C ZINC000641812864 452293317 /nfs/dbraw/zinc/29/33/17/452293317.db2.gz NLXBAXRRUONUNH-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)[NH+](C)C ZINC000663592017 452318436 /nfs/dbraw/zinc/31/84/36/452318436.db2.gz PIBVZYRLIYBBCS-HUUCEWRRSA-N 2 2 349.479 1.446 20 0 EDADLP [NH3+]C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(F)(F)F ZINC000655513662 452320340 /nfs/dbraw/zinc/32/03/40/452320340.db2.gz AYVGCLBBMDIUQD-CYBMUJFWSA-N 2 2 331.338 1.138 20 0 EDADLP CO[C@H](C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCOC1 ZINC000657540233 452323618 /nfs/dbraw/zinc/32/36/18/452323618.db2.gz FRRLCMDZYOOKMH-QZTJIDSGSA-N 2 2 340.508 1.910 20 0 EDADLP CC[NH2+][C@H](C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000638054139 452335033 /nfs/dbraw/zinc/33/50/33/452335033.db2.gz FSLYBXUQRRCQSX-CQSZACIVSA-N 2 2 332.448 1.204 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]3CCCC3)cc2[nH+]1 ZINC000657568218 452340870 /nfs/dbraw/zinc/34/08/70/452340870.db2.gz DCYJLQQDWKTLTN-CYBMUJFWSA-N 2 2 343.431 1.429 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000638060616 452351776 /nfs/dbraw/zinc/35/17/76/452351776.db2.gz ZACLFSIEVCYJPW-MRXNPFEDSA-N 2 2 346.475 1.776 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647631460 452367452 /nfs/dbraw/zinc/36/74/52/452367452.db2.gz HZMQSTIOAYOMSG-ZACQAIPSSA-N 2 2 339.455 1.275 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647631460 452367459 /nfs/dbraw/zinc/36/74/59/452367459.db2.gz HZMQSTIOAYOMSG-ZACQAIPSSA-N 2 2 339.455 1.275 20 0 EDADLP CN(C(=O)CCc1cncs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398795 452374054 /nfs/dbraw/zinc/37/40/54/452374054.db2.gz MOYAIIKITBNHFO-OAHLLOKOSA-N 2 2 336.505 1.703 20 0 EDADLP CN(C(=O)CCc1cncs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398795 452374063 /nfs/dbraw/zinc/37/40/63/452374063.db2.gz MOYAIIKITBNHFO-OAHLLOKOSA-N 2 2 336.505 1.703 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000638079395 452396814 /nfs/dbraw/zinc/39/68/14/452396814.db2.gz NANYANFRZKFKSA-HOCLYGCPSA-N 2 2 329.510 1.074 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)[NH+](C)C ZINC000663659114 452400026 /nfs/dbraw/zinc/40/00/26/452400026.db2.gz QVSPEIUACMOQCK-FUHWJXTLSA-N 2 2 348.491 1.699 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659557640 452414312 /nfs/dbraw/zinc/41/43/12/452414312.db2.gz UEBNPFKNIRQCKE-DJIMGWMZSA-N 2 2 343.475 1.869 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccnc3ccccc23)[C@H](C[NH3+])C1 ZINC000659566957 452421306 /nfs/dbraw/zinc/42/13/06/452421306.db2.gz PVWWNWXUKRPVFU-OAHLLOKOSA-N 2 2 327.432 1.062 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccnc3ccccc23)[C@H](C[NH3+])C1 ZINC000659566957 452421314 /nfs/dbraw/zinc/42/13/14/452421314.db2.gz PVWWNWXUKRPVFU-OAHLLOKOSA-N 2 2 327.432 1.062 20 0 EDADLP C[C@H]1C[C@H](Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000663705575 452445578 /nfs/dbraw/zinc/44/55/78/452445578.db2.gz XUVRKSFWRXEYBZ-KBPBESRZSA-N 2 2 331.464 1.865 20 0 EDADLP C[C@H]1C[C@H](Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[N@H+]1C1CC1 ZINC000663705575 452445586 /nfs/dbraw/zinc/44/55/86/452445586.db2.gz XUVRKSFWRXEYBZ-KBPBESRZSA-N 2 2 331.464 1.865 20 0 EDADLP c1cnc(N2CCOCC2)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655687465 452511191 /nfs/dbraw/zinc/51/11/91/452511191.db2.gz PRFNXSSVOMUVIE-GOSISDBHSA-N 2 2 346.475 1.261 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C)Cc2ccccc2)[C@@H](C)CO1 ZINC000663785455 452514894 /nfs/dbraw/zinc/51/48/94/452514894.db2.gz HXSUTSZALQPYIU-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)Cc2ccccc2)[C@@H](C)CO1 ZINC000663785455 452514907 /nfs/dbraw/zinc/51/49/07/452514907.db2.gz HXSUTSZALQPYIU-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@H+](C)Cc2ccccc2)[C@@H](C)CO1 ZINC000663785455 452514918 /nfs/dbraw/zinc/51/49/18/452514918.db2.gz HXSUTSZALQPYIU-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)Cc2ccccc2)[C@@H](C)CO1 ZINC000663785455 452514931 /nfs/dbraw/zinc/51/49/31/452514931.db2.gz HXSUTSZALQPYIU-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cc2[nH+]1 ZINC000657778237 452523782 /nfs/dbraw/zinc/52/37/82/452523782.db2.gz LEYTVXGFLSSMQN-UKRRQHHQSA-N 2 2 341.415 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cc2[nH+]1 ZINC000657778237 452523787 /nfs/dbraw/zinc/52/37/87/452523787.db2.gz LEYTVXGFLSSMQN-UKRRQHHQSA-N 2 2 341.415 1.134 20 0 EDADLP C[C@H]1CCC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)[C@@H]1CC[NH3+] ZINC000652353524 452529830 /nfs/dbraw/zinc/52/98/30/452529830.db2.gz OMZMFYVVEKSXPO-DZGCQCFKSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]1CCC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)[C@@H]1CC[NH3+] ZINC000652353524 452529841 /nfs/dbraw/zinc/52/98/41/452529841.db2.gz OMZMFYVVEKSXPO-DZGCQCFKSA-N 2 2 330.432 1.421 20 0 EDADLP O[C@@]1(C[NH2+][C@@H]2CCCn3ccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000655714960 452532497 /nfs/dbraw/zinc/53/24/97/452532497.db2.gz FOWKXPPGGOLGQR-IEBWSBKVSA-N 2 2 326.444 1.945 20 0 EDADLP O[C@@]1(C[NH2+][C@@H]2CCCn3ccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000655714960 452532507 /nfs/dbraw/zinc/53/25/07/452532507.db2.gz FOWKXPPGGOLGQR-IEBWSBKVSA-N 2 2 326.444 1.945 20 0 EDADLP O=C1[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCN1Cc1ccccc1 ZINC000655724274 452537807 /nfs/dbraw/zinc/53/78/07/452537807.db2.gz AUXRWEBCBKUMAF-OALUTQOASA-N 2 2 343.471 1.630 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC3C[NH2+]C3)CC2)c1 ZINC000640246383 452543475 /nfs/dbraw/zinc/54/34/75/452543475.db2.gz OGCQUVHHHICMSA-CQSZACIVSA-N 2 2 332.448 1.303 20 0 EDADLP CNC(=O)C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655764605 452564023 /nfs/dbraw/zinc/56/40/23/452564023.db2.gz MDZQYWGWZYTWMI-QZTJIDSGSA-N 2 2 331.460 1.707 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000663849789 452576172 /nfs/dbraw/zinc/57/61/72/452576172.db2.gz LYZUGTKSFZJVLO-CHWSQXEVSA-N 2 2 325.457 1.119 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000647849227 452583379 /nfs/dbraw/zinc/58/33/79/452583379.db2.gz LZROBRFSFBKYNO-UHFFFAOYSA-N 2 2 347.459 1.624 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000647849227 452583388 /nfs/dbraw/zinc/58/33/88/452583388.db2.gz LZROBRFSFBKYNO-UHFFFAOYSA-N 2 2 347.459 1.624 20 0 EDADLP O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000661831332 452616098 /nfs/dbraw/zinc/61/60/98/452616098.db2.gz STNGVZQJOQUMQS-HZPDHXFCSA-N 2 2 349.500 1.285 20 0 EDADLP Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000647886641 452626188 /nfs/dbraw/zinc/62/61/88/452626188.db2.gz DPUWSLHEMFSLTK-SJORKVTESA-N 2 2 331.460 1.516 20 0 EDADLP CS(=O)(=O)CCCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000647913761 452651213 /nfs/dbraw/zinc/65/12/13/452651213.db2.gz YSJJHLRYQKETDF-QGZVFWFLSA-N 2 2 339.505 1.851 20 0 EDADLP CS(=O)(=O)CCCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000647913761 452651219 /nfs/dbraw/zinc/65/12/19/452651219.db2.gz YSJJHLRYQKETDF-QGZVFWFLSA-N 2 2 339.505 1.851 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663940807 452660696 /nfs/dbraw/zinc/66/06/96/452660696.db2.gz FGYGIUUKPUQYPX-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663940807 452660702 /nfs/dbraw/zinc/66/07/02/452660702.db2.gz FGYGIUUKPUQYPX-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000647936878 452677160 /nfs/dbraw/zinc/67/71/60/452677160.db2.gz MQSJNOKKKIBOGN-MLGOLLRUSA-N 2 2 325.403 1.683 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000647936878 452677169 /nfs/dbraw/zinc/67/71/69/452677169.db2.gz MQSJNOKKKIBOGN-MLGOLLRUSA-N 2 2 325.403 1.683 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC[C@H]1[NH3+] ZINC000647936405 452677252 /nfs/dbraw/zinc/67/72/52/452677252.db2.gz DBNKRGIJCJNXQU-FSPWUOQZSA-N 2 2 347.459 1.868 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC[C@H]1[NH3+] ZINC000647936405 452677256 /nfs/dbraw/zinc/67/72/56/452677256.db2.gz DBNKRGIJCJNXQU-FSPWUOQZSA-N 2 2 347.459 1.868 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCc2cccc(OCCOC)c2)CC[C@@H]1[NH3+] ZINC000647937117 452678132 /nfs/dbraw/zinc/67/81/32/452678132.db2.gz RCGWXSBOGFDMDK-AEFFLSMTSA-N 2 2 349.475 1.387 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2cccc(OCCOC)c2)CC[C@@H]1[NH3+] ZINC000647937117 452678138 /nfs/dbraw/zinc/67/81/38/452678138.db2.gz RCGWXSBOGFDMDK-AEFFLSMTSA-N 2 2 349.475 1.387 20 0 EDADLP CC[C@H]1C[N@H+](CCOc2cccc(S(C)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647937247 452678291 /nfs/dbraw/zinc/67/82/91/452678291.db2.gz UHFRBIMOASBBQX-BBRMVZONSA-N 2 2 326.462 1.528 20 0 EDADLP CC[C@H]1C[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647937247 452678304 /nfs/dbraw/zinc/67/83/04/452678304.db2.gz UHFRBIMOASBBQX-BBRMVZONSA-N 2 2 326.462 1.528 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000645688627 452691357 /nfs/dbraw/zinc/69/13/57/452691357.db2.gz PGMSDHMJDSQDHP-OAHLLOKOSA-N 2 2 342.399 1.440 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000645688627 452691364 /nfs/dbraw/zinc/69/13/64/452691364.db2.gz PGMSDHMJDSQDHP-OAHLLOKOSA-N 2 2 342.399 1.440 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661974254 452726333 /nfs/dbraw/zinc/72/63/33/452726333.db2.gz PBWUUFUUBSMEIG-HKUYNNGSSA-N 2 2 327.472 1.981 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661974254 452726339 /nfs/dbraw/zinc/72/63/39/452726339.db2.gz PBWUUFUUBSMEIG-HKUYNNGSSA-N 2 2 327.472 1.981 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661980546 452731885 /nfs/dbraw/zinc/73/18/85/452731885.db2.gz IKATTZFHOGKJIH-OAHLLOKOSA-N 2 2 333.436 1.046 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOCc2ccccc2)CC1 ZINC000659877222 452753088 /nfs/dbraw/zinc/75/30/88/452753088.db2.gz HHTFNBRPKHHKNV-UHFFFAOYSA-N 2 2 331.460 1.443 20 0 EDADLP CC(C)[NH+]1CCC(Nc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000648028588 452763031 /nfs/dbraw/zinc/76/30/31/452763031.db2.gz BNSGVWYMJYJKNI-UHFFFAOYSA-N 2 2 329.448 1.163 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCc2ccccc21 ZINC000664072888 452767440 /nfs/dbraw/zinc/76/74/40/452767440.db2.gz WUNFPLVFCYKANU-KRWDZBQOSA-N 2 2 332.492 1.899 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCc2ccccc21 ZINC000664072888 452767448 /nfs/dbraw/zinc/76/74/48/452767448.db2.gz WUNFPLVFCYKANU-KRWDZBQOSA-N 2 2 332.492 1.899 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666343787 452790646 /nfs/dbraw/zinc/79/06/46/452790646.db2.gz OVEXFRHNMKQNAV-CQSZACIVSA-N 2 2 348.516 1.992 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666343787 452790655 /nfs/dbraw/zinc/79/06/55/452790655.db2.gz OVEXFRHNMKQNAV-CQSZACIVSA-N 2 2 348.516 1.992 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662037241 452791193 /nfs/dbraw/zinc/79/11/93/452791193.db2.gz VMKZCUUUYQIRGU-IAGOWNOFSA-N 2 2 349.500 1.361 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2COC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662037241 452791199 /nfs/dbraw/zinc/79/11/99/452791199.db2.gz VMKZCUUUYQIRGU-IAGOWNOFSA-N 2 2 349.500 1.361 20 0 EDADLP Cc1noc(C)c1[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664118127 452802498 /nfs/dbraw/zinc/80/24/98/452802498.db2.gz RLOFILPCDVPOMF-GFCCVEGCSA-N 2 2 325.457 1.535 20 0 EDADLP Cc1noc(C)c1[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664118127 452802501 /nfs/dbraw/zinc/80/25/01/452802501.db2.gz RLOFILPCDVPOMF-GFCCVEGCSA-N 2 2 325.457 1.535 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000643902374 452803380 /nfs/dbraw/zinc/80/33/80/452803380.db2.gz GEFZPPKIBDAPJA-OAHLLOKOSA-N 2 2 348.447 1.207 20 0 EDADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000658286477 452830327 /nfs/dbraw/zinc/83/03/27/452830327.db2.gz TVAULMABVUTVPV-WMLDXEAASA-N 2 2 337.489 1.785 20 0 EDADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000658286477 452830335 /nfs/dbraw/zinc/83/03/35/452830335.db2.gz TVAULMABVUTVPV-WMLDXEAASA-N 2 2 337.489 1.785 20 0 EDADLP CO[C@@H](C)CCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000648118519 452834725 /nfs/dbraw/zinc/83/47/25/452834725.db2.gz CRHRBNOQLOQPPA-GJZGRUSLSA-N 2 2 334.464 1.706 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000658294511 452835630 /nfs/dbraw/zinc/83/56/30/452835630.db2.gz ICFVQYUUGGLQGE-CZUORRHYSA-N 2 2 345.443 1.921 20 0 EDADLP Cc1cc(C)cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000658332914 452850666 /nfs/dbraw/zinc/85/06/66/452850666.db2.gz INYLXPISIUQXQP-INIZCTEOSA-N 2 2 348.491 1.630 20 0 EDADLP Cc1cc(C)cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658332914 452850674 /nfs/dbraw/zinc/85/06/74/452850674.db2.gz INYLXPISIUQXQP-INIZCTEOSA-N 2 2 348.491 1.630 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000656133909 452889921 /nfs/dbraw/zinc/88/99/21/452889921.db2.gz PEZMGCLMNQWQGA-UHFFFAOYSA-N 2 2 345.451 1.027 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000664217215 452892563 /nfs/dbraw/zinc/89/25/63/452892563.db2.gz AYVMWZATUZVAIS-XHSDSOJGSA-N 2 2 340.512 1.373 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000664217215 452892567 /nfs/dbraw/zinc/89/25/67/452892567.db2.gz AYVMWZATUZVAIS-XHSDSOJGSA-N 2 2 340.512 1.373 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000664217289 452893035 /nfs/dbraw/zinc/89/30/35/452893035.db2.gz CXAGOWCMMDJUFT-HKUYNNGSSA-N 2 2 332.492 1.899 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000664217289 452893041 /nfs/dbraw/zinc/89/30/41/452893041.db2.gz CXAGOWCMMDJUFT-HKUYNNGSSA-N 2 2 332.492 1.899 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNc1cnn(C(C)(C)C)c(=O)c1Cl ZINC000664247329 452928176 /nfs/dbraw/zinc/92/81/76/452928176.db2.gz KAZJXCGDVBDKJL-UHFFFAOYSA-N 2 2 343.903 1.947 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNc1cnn(C(C)(C)C)c(=O)c1Cl ZINC000664247329 452928179 /nfs/dbraw/zinc/92/81/79/452928179.db2.gz KAZJXCGDVBDKJL-UHFFFAOYSA-N 2 2 343.903 1.947 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977879 452964321 /nfs/dbraw/zinc/96/43/21/452964321.db2.gz MIYIOTVAGMHEMP-IEBWSBKVSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977879 452964332 /nfs/dbraw/zinc/96/43/32/452964332.db2.gz MIYIOTVAGMHEMP-IEBWSBKVSA-N 3 2 344.503 1.751 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652813182 452971050 /nfs/dbraw/zinc/97/10/50/452971050.db2.gz ZGADPWKTFTXQKV-QZTJIDSGSA-N 2 2 340.427 1.385 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652813182 452971054 /nfs/dbraw/zinc/97/10/54/452971054.db2.gz ZGADPWKTFTXQKV-QZTJIDSGSA-N 2 2 340.427 1.385 20 0 EDADLP C[N@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H]1C[NH2+]CCO1 ZINC000662251756 452979152 /nfs/dbraw/zinc/97/91/52/452979152.db2.gz FJBNENSAZJKLBG-HIFRSBDPSA-N 2 2 348.365 1.365 20 0 EDADLP C[N@@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H]1C[NH2+]CCO1 ZINC000662251756 452979157 /nfs/dbraw/zinc/97/91/57/452979157.db2.gz FJBNENSAZJKLBG-HIFRSBDPSA-N 2 2 348.365 1.365 20 0 EDADLP O=C(Cc1ccccc1F)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662252939 452981597 /nfs/dbraw/zinc/98/15/97/452981597.db2.gz DUMNCGPMQXTACT-INIZCTEOSA-N 2 2 347.434 1.033 20 0 EDADLP Cc1ccccc1CC(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256478 452984979 /nfs/dbraw/zinc/98/49/79/452984979.db2.gz IEBPKCOSWHSWBY-SFHVURJKSA-N 2 2 343.471 1.203 20 0 EDADLP Fc1ccc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)c(Cl)c1 ZINC000662260225 452991858 /nfs/dbraw/zinc/99/18/58/452991858.db2.gz IFTSVQMFLQQFMR-HNNXBMFYSA-N 2 2 327.831 1.585 20 0 EDADLP CN(C(=O)Cc1ccc(O)c(F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310766 452994294 /nfs/dbraw/zinc/99/42/94/452994294.db2.gz HTCIRXWDQQKTPY-INIZCTEOSA-N 2 2 349.450 1.701 20 0 EDADLP CN(C(=O)Cc1ccc(O)c(F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310766 452994302 /nfs/dbraw/zinc/99/43/02/452994302.db2.gz HTCIRXWDQQKTPY-INIZCTEOSA-N 2 2 349.450 1.701 20 0 EDADLP CO[C@H](C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccccc1 ZINC000662275595 453001869 /nfs/dbraw/zinc/00/18/69/453001869.db2.gz CKZRQCFQTPHOTQ-QGZVFWFLSA-N 2 2 341.459 1.948 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000666645490 453033127 /nfs/dbraw/zinc/03/31/27/453033127.db2.gz UDDJXEOVXVBSTK-MOPGFXCFSA-N 2 2 344.503 1.390 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000666645490 453033140 /nfs/dbraw/zinc/03/31/40/453033140.db2.gz UDDJXEOVXVBSTK-MOPGFXCFSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000652884022 453045015 /nfs/dbraw/zinc/04/50/15/453045015.db2.gz ZUYSXRZVTMGYPB-MJGOQNOKSA-N 2 2 344.503 1.008 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000652884022 453045023 /nfs/dbraw/zinc/04/50/23/453045023.db2.gz ZUYSXRZVTMGYPB-MJGOQNOKSA-N 2 2 344.503 1.008 20 0 EDADLP CCc1noc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662335941 453053511 /nfs/dbraw/zinc/05/35/11/453053511.db2.gz BGKOZNOOJWYENP-ZDUSSCGKSA-N 2 2 345.451 1.144 20 0 EDADLP CCc1noc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662335941 453053518 /nfs/dbraw/zinc/05/35/18/453053518.db2.gz BGKOZNOOJWYENP-ZDUSSCGKSA-N 2 2 345.451 1.144 20 0 EDADLP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646051500 453058682 /nfs/dbraw/zinc/05/86/82/453058682.db2.gz WHAIDWSZQKLPCO-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646051500 453058690 /nfs/dbraw/zinc/05/86/90/453058690.db2.gz WHAIDWSZQKLPCO-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[NH+](C)CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646051500 453058697 /nfs/dbraw/zinc/05/86/97/453058697.db2.gz WHAIDWSZQKLPCO-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[NH+](C)CCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646051500 453058701 /nfs/dbraw/zinc/05/87/01/453058701.db2.gz WHAIDWSZQKLPCO-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000648416587 453070686 /nfs/dbraw/zinc/07/06/86/453070686.db2.gz FPMWRBOULYTOCO-IAGOWNOFSA-N 2 2 333.480 1.536 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967990 453087636 /nfs/dbraw/zinc/08/76/36/453087636.db2.gz LMVOTFHVXKTQHE-RKTXRCNFSA-N 2 2 333.476 1.229 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967990 453087641 /nfs/dbraw/zinc/08/76/41/453087641.db2.gz LMVOTFHVXKTQHE-RKTXRCNFSA-N 2 2 333.476 1.229 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644160630 453091453 /nfs/dbraw/zinc/09/14/53/453091453.db2.gz ZGTGUTGYNFPBTM-LBPRGKRZSA-N 2 2 340.374 1.410 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104505 453106548 /nfs/dbraw/zinc/10/65/48/453106548.db2.gz OMRFABGDAQRKQR-MRXNPFEDSA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104505 453106560 /nfs/dbraw/zinc/10/65/60/453106560.db2.gz OMRFABGDAQRKQR-MRXNPFEDSA-N 2 2 325.497 1.676 20 0 EDADLP O=C(NC1CC1)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000648643963 453180288 /nfs/dbraw/zinc/18/02/88/453180288.db2.gz ZCCCSIJVSBOQPB-SFHVURJKSA-N 2 2 331.460 1.515 20 0 EDADLP O=C(NC1CC1)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000648643963 453180291 /nfs/dbraw/zinc/18/02/91/453180291.db2.gz ZCCCSIJVSBOQPB-SFHVURJKSA-N 2 2 331.460 1.515 20 0 EDADLP [NH3+]C1(c2noc(Cn3cc(C[NH+]4CCCC4)nn3)n2)CCCCCC1 ZINC000656440586 453180953 /nfs/dbraw/zinc/18/09/53/453180953.db2.gz VNZRHEZFESNLOQ-UHFFFAOYSA-N 2 2 345.451 1.813 20 0 EDADLP CC[N@H+](CC(=O)N[C@@H](CO)C[NH+](C)C)Cc1ccccc1Cl ZINC000646210059 453221470 /nfs/dbraw/zinc/22/14/70/453221470.db2.gz VSDBJKQKFVHJHM-CQSZACIVSA-N 2 2 327.856 1.201 20 0 EDADLP CC[N@@H+](CC(=O)N[C@@H](CO)C[NH+](C)C)Cc1ccccc1Cl ZINC000646210059 453221480 /nfs/dbraw/zinc/22/14/80/453221480.db2.gz VSDBJKQKFVHJHM-CQSZACIVSA-N 2 2 327.856 1.201 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660344010 453233572 /nfs/dbraw/zinc/23/35/72/453233572.db2.gz BBTVKSICSKQIGE-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660344010 453233573 /nfs/dbraw/zinc/23/35/73/453233573.db2.gz BBTVKSICSKQIGE-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653063506 453239787 /nfs/dbraw/zinc/23/97/87/453239787.db2.gz JZGBVLRDBGXJJR-GJZGRUSLSA-N 2 2 335.448 1.646 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cc(F)ccc1Br ZINC000653065516 453243434 /nfs/dbraw/zinc/24/34/34/453243434.db2.gz IQLASUWOAPKHAV-LBPRGKRZSA-N 2 2 332.217 1.483 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cn21 ZINC000646234973 453247782 /nfs/dbraw/zinc/24/77/82/453247782.db2.gz XDVNSSKOTNBFRW-GOEBONIOSA-N 2 2 327.432 1.579 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000648773867 453251807 /nfs/dbraw/zinc/25/18/07/453251807.db2.gz BOOLNKRPZKHJSA-OWCLPIDISA-N 2 2 334.464 1.454 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000653074550 453252569 /nfs/dbraw/zinc/25/25/69/453252569.db2.gz MQLAACDPQRGXIG-INIZCTEOSA-N 2 2 341.459 1.256 20 0 EDADLP CCOCCCn1c2ccccc2nc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653085071 453267139 /nfs/dbraw/zinc/26/71/39/453267139.db2.gz AVRPYXRWYCVLKQ-AWEZNQCLSA-N 2 2 347.463 1.680 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000653092659 453274426 /nfs/dbraw/zinc/27/44/26/453274426.db2.gz HTJQKIDGTREQAP-KRWDZBQOSA-N 2 2 335.448 1.710 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000653091185 453274973 /nfs/dbraw/zinc/27/49/73/453274973.db2.gz MWUFZAZTXOUVCQ-ZWKOTPCHSA-N 2 2 333.476 1.866 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000653106233 453287640 /nfs/dbraw/zinc/28/76/40/453287640.db2.gz YAMXFRFLNVEYBI-GJZGRUSLSA-N 3 2 326.872 1.338 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000660453492 453321190 /nfs/dbraw/zinc/32/11/90/453321190.db2.gz OMWZELXHBDXTKP-HOTGVXAUSA-N 2 2 334.464 1.321 20 0 EDADLP O[C@H](COCc1ccco1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660466753 453327812 /nfs/dbraw/zinc/32/78/12/453327812.db2.gz BRGYUPKPUFSTKA-IRXDYDNUSA-N 2 2 338.448 1.344 20 0 EDADLP O[C@H](COCc1ccco1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660466753 453327817 /nfs/dbraw/zinc/32/78/17/453327817.db2.gz BRGYUPKPUFSTKA-IRXDYDNUSA-N 2 2 338.448 1.344 20 0 EDADLP CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660470575 453328244 /nfs/dbraw/zinc/32/82/44/453328244.db2.gz XLBOSFXXTFTBCC-MRXNPFEDSA-N 2 2 335.448 1.425 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660467489 453328943 /nfs/dbraw/zinc/32/89/43/453328943.db2.gz GOMFEMZYVPWQOV-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660467489 453328953 /nfs/dbraw/zinc/32/89/53/453328953.db2.gz GOMFEMZYVPWQOV-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CN(Cc1ccco1)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660470573 453329395 /nfs/dbraw/zinc/32/93/95/453329395.db2.gz XLBOSFXXTFTBCC-INIZCTEOSA-N 2 2 335.448 1.425 20 0 EDADLP COc1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(OC)c(C)c1OC ZINC000653152667 453340854 /nfs/dbraw/zinc/34/08/54/453340854.db2.gz VJNDLWDIIHPLHY-LLVKDONJSA-N 2 2 325.409 1.238 20 0 EDADLP C[NH+](C)C1(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCC1 ZINC000664718391 453347644 /nfs/dbraw/zinc/34/76/44/453347644.db2.gz DIGCSRSPDYTRSN-UHFFFAOYSA-N 2 2 338.496 1.225 20 0 EDADLP Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2)c1 ZINC000653161473 453355600 /nfs/dbraw/zinc/35/56/00/453355600.db2.gz PNOOOJHTSBDJKD-NVXWUHKLSA-N 2 2 325.403 1.810 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000653172193 453364429 /nfs/dbraw/zinc/36/44/29/453364429.db2.gz NTRDKYZOHUSQRG-CQSZACIVSA-N 2 2 328.420 1.891 20 0 EDADLP [NH3+][C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000662659654 453373425 /nfs/dbraw/zinc/37/34/25/453373425.db2.gz UAMZNHKBCOSNKH-INIZCTEOSA-N 2 2 332.354 1.708 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656710349 453386441 /nfs/dbraw/zinc/38/64/41/453386441.db2.gz IVSMDOXMRISWNE-KRWDZBQOSA-N 2 2 328.460 1.880 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000656710349 453386447 /nfs/dbraw/zinc/38/64/47/453386447.db2.gz IVSMDOXMRISWNE-KRWDZBQOSA-N 2 2 328.460 1.880 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000660578391 453416560 /nfs/dbraw/zinc/41/65/60/453416560.db2.gz OWNPOQPJGSAADS-UHFFFAOYSA-N 2 2 345.447 1.734 20 0 EDADLP C[C@H](CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)n1cc[nH+]c1 ZINC000651286007 453437233 /nfs/dbraw/zinc/43/72/33/453437233.db2.gz LOIHZIJBFZQWOB-SJORKVTESA-N 2 2 333.480 1.463 20 0 EDADLP C[C@H](CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)n1cc[nH+]c1 ZINC000651286007 453437241 /nfs/dbraw/zinc/43/72/41/453437241.db2.gz LOIHZIJBFZQWOB-SJORKVTESA-N 2 2 333.480 1.463 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)s1 ZINC000662714292 453438378 /nfs/dbraw/zinc/43/83/78/453438378.db2.gz YPEQQQWAMYXYFN-CVEARBPZSA-N 2 2 337.489 1.319 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660612615 453452090 /nfs/dbraw/zinc/45/20/90/453452090.db2.gz USHQOMUDDDSLDD-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CCCc2ncc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n21 ZINC000651322503 453468856 /nfs/dbraw/zinc/46/88/56/453468856.db2.gz UDBIVGQIOBFZSA-HUUCEWRRSA-N 2 2 345.491 1.679 20 0 EDADLP C[C@@H]1CCCc2ncc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n21 ZINC000651322503 453468864 /nfs/dbraw/zinc/46/88/64/453468864.db2.gz UDBIVGQIOBFZSA-HUUCEWRRSA-N 2 2 345.491 1.679 20 0 EDADLP C[C@H](c1ccccc1)n1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000667207200 453478506 /nfs/dbraw/zinc/47/85/06/453478506.db2.gz GCNVEYGNFGRWBV-GDBMZVCRSA-N 2 2 342.447 1.599 20 0 EDADLP C[C@H](c1ccccc1)n1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000667207200 453478515 /nfs/dbraw/zinc/47/85/15/453478515.db2.gz GCNVEYGNFGRWBV-GDBMZVCRSA-N 2 2 342.447 1.599 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccc3c(c2)OC(F)(F)O3)[C@@H](C[NH3+])C1 ZINC000655419296 453514979 /nfs/dbraw/zinc/51/49/79/453514979.db2.gz QXXGQKSWODFMLJ-LBPRGKRZSA-N 2 2 341.358 1.042 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccc3c(c2)OC(F)(F)O3)[C@@H](C[NH3+])C1 ZINC000655419296 453514987 /nfs/dbraw/zinc/51/49/87/453514987.db2.gz QXXGQKSWODFMLJ-LBPRGKRZSA-N 2 2 341.358 1.042 20 0 EDADLP O=C(CC[NH2+]C1CC1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000655442228 453528637 /nfs/dbraw/zinc/52/86/37/453528637.db2.gz HCPYHKXNXSWTJE-UHFFFAOYSA-N 2 2 345.443 1.244 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655442868 453530310 /nfs/dbraw/zinc/53/03/10/453530310.db2.gz DMQIJHFXDCAQBW-NSHGMRRFSA-N 2 2 343.471 1.566 20 0 EDADLP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000667293942 453540655 /nfs/dbraw/zinc/54/06/55/453540655.db2.gz UATVAZFHLQXIEW-GOSISDBHSA-N 2 2 347.507 1.006 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c2[nH+]ccn21 ZINC000665048064 453553601 /nfs/dbraw/zinc/55/36/01/453553601.db2.gz RBGWPVCAIYDHBW-YUELXQCFSA-N 2 2 333.436 1.130 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c2[nH+]ccn21 ZINC000665048064 453553607 /nfs/dbraw/zinc/55/36/07/453553607.db2.gz RBGWPVCAIYDHBW-YUELXQCFSA-N 2 2 333.436 1.130 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659034042 453590161 /nfs/dbraw/zinc/59/01/61/453590161.db2.gz ZFVNCWJRUWCSKP-MRXNPFEDSA-N 2 2 341.415 1.976 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000662941523 453617212 /nfs/dbraw/zinc/61/72/12/453617212.db2.gz WXXGWFFFGYTCSA-KRWDZBQOSA-N 2 2 332.492 1.436 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000662941523 453617215 /nfs/dbraw/zinc/61/72/15/453617215.db2.gz WXXGWFFFGYTCSA-KRWDZBQOSA-N 2 2 332.492 1.436 20 0 EDADLP [NH3+]C1(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCC1 ZINC000659099504 453631333 /nfs/dbraw/zinc/63/13/33/453631333.db2.gz CPXLZPQUISPUMK-UHFFFAOYSA-N 2 2 327.388 1.199 20 0 EDADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1OCC(=O)N(C)C ZINC000665276712 453633585 /nfs/dbraw/zinc/63/35/85/453633585.db2.gz KXESUFUFCUFEIS-NLGTXKQRSA-N 2 2 331.460 1.946 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665292149 453639594 /nfs/dbraw/zinc/63/95/94/453639594.db2.gz ULXDOOXRALKMFS-GFCCVEGCSA-N 3 2 338.415 1.986 20 0 EDADLP Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000657070862 453661464 /nfs/dbraw/zinc/66/14/64/453661464.db2.gz ADDBZLJQBYTMJT-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000657070862 453661466 /nfs/dbraw/zinc/66/14/66/453661466.db2.gz ADDBZLJQBYTMJT-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000665355089 453663590 /nfs/dbraw/zinc/66/35/90/453663590.db2.gz JFQJLFWEZVIHOE-OAHLLOKOSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000665355089 453663594 /nfs/dbraw/zinc/66/35/94/453663594.db2.gz JFQJLFWEZVIHOE-OAHLLOKOSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665355089 453663598 /nfs/dbraw/zinc/66/35/98/453663598.db2.gz JFQJLFWEZVIHOE-OAHLLOKOSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000665355089 453663600 /nfs/dbraw/zinc/66/36/00/453663600.db2.gz JFQJLFWEZVIHOE-OAHLLOKOSA-N 3 2 327.517 1.042 20 0 EDADLP C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)c1[nH+]ccn1C ZINC000660966098 453664423 /nfs/dbraw/zinc/66/44/23/453664423.db2.gz MGGXYNXJFJEDRR-ZDUSSCGKSA-N 2 2 346.435 1.316 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661043688 453692248 /nfs/dbraw/zinc/69/22/48/453692248.db2.gz DLCXNNDRIUOOCW-SJORKVTESA-N 2 2 339.443 1.772 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661043688 453692253 /nfs/dbraw/zinc/69/22/53/453692253.db2.gz DLCXNNDRIUOOCW-SJORKVTESA-N 2 2 339.443 1.772 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000665552750 453744832 /nfs/dbraw/zinc/74/48/32/453744832.db2.gz IARVZTZNANPSJY-KFWWJZLASA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000665552750 453744835 /nfs/dbraw/zinc/74/48/35/453744835.db2.gz IARVZTZNANPSJY-KFWWJZLASA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000665552750 453744840 /nfs/dbraw/zinc/74/48/40/453744840.db2.gz IARVZTZNANPSJY-KFWWJZLASA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000665552750 453744842 /nfs/dbraw/zinc/74/48/42/453744842.db2.gz IARVZTZNANPSJY-KFWWJZLASA-N 2 2 326.485 1.268 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)CC1 ZINC000661195103 453754503 /nfs/dbraw/zinc/75/45/03/453754503.db2.gz YOXQSQSGWGOKCH-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)CC1 ZINC000661195103 453754507 /nfs/dbraw/zinc/75/45/07/453754507.db2.gz YOXQSQSGWGOKCH-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)N(C(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000663302867 453762287 /nfs/dbraw/zinc/76/22/87/453762287.db2.gz AGWGZVYRFQBVHV-NVXWUHKLSA-N 2 2 325.497 1.863 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000657332551 453768304 /nfs/dbraw/zinc/76/83/04/453768304.db2.gz MOCKRQBMJHOTGM-UHFFFAOYSA-N 2 2 340.475 1.734 20 0 EDADLP C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1[nH+]ccn1C ZINC000663442918 453800421 /nfs/dbraw/zinc/80/04/21/453800421.db2.gz APPJTKQUHWSWAY-HOCLYGCPSA-N 2 2 329.448 1.953 20 0 EDADLP CCc1nc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc(C)[nH+]1 ZINC000672208048 486664887 /nfs/dbraw/zinc/66/48/87/486664887.db2.gz PWHKOGBEDNPGSH-HNNXBMFYSA-N 2 2 345.491 1.917 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676118939 486672809 /nfs/dbraw/zinc/67/28/09/486672809.db2.gz JKYQKCDWDVZZBJ-HZPDHXFCSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676118939 486672814 /nfs/dbraw/zinc/67/28/14/486672814.db2.gz JKYQKCDWDVZZBJ-HZPDHXFCSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676118939 486672821 /nfs/dbraw/zinc/67/28/21/486672821.db2.gz JKYQKCDWDVZZBJ-HZPDHXFCSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676118939 486672825 /nfs/dbraw/zinc/67/28/25/486672825.db2.gz JKYQKCDWDVZZBJ-HZPDHXFCSA-N 2 2 334.464 1.890 20 0 EDADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000672309437 486690175 /nfs/dbraw/zinc/69/01/75/486690175.db2.gz RSFCUCDOWNQHKG-GJZGRUSLSA-N 2 2 345.447 1.064 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000672309437 486690177 /nfs/dbraw/zinc/69/01/77/486690177.db2.gz RSFCUCDOWNQHKG-GJZGRUSLSA-N 2 2 345.447 1.064 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000683382628 486702304 /nfs/dbraw/zinc/70/23/04/486702304.db2.gz ZXOGUHAPGZGDJT-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000683382628 486702306 /nfs/dbraw/zinc/70/23/06/486702306.db2.gz ZXOGUHAPGZGDJT-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676250253 486708945 /nfs/dbraw/zinc/70/89/45/486708945.db2.gz GAKQLMPWVRZRQM-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676250253 486708948 /nfs/dbraw/zinc/70/89/48/486708948.db2.gz GAKQLMPWVRZRQM-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676250253 486708954 /nfs/dbraw/zinc/70/89/54/486708954.db2.gz GAKQLMPWVRZRQM-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676250253 486708956 /nfs/dbraw/zinc/70/89/56/486708956.db2.gz GAKQLMPWVRZRQM-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP COc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000680232048 486725664 /nfs/dbraw/zinc/72/56/64/486725664.db2.gz VIMVYDUVTKOPJY-UHFFFAOYSA-N 2 2 335.452 1.580 20 0 EDADLP COc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000680232048 486725668 /nfs/dbraw/zinc/72/56/68/486725668.db2.gz VIMVYDUVTKOPJY-UHFFFAOYSA-N 2 2 335.452 1.580 20 0 EDADLP c1cc(CNc2nc(N3CCOCC3)cc[nH+]2)cc(N2CCCC2)[nH+]1 ZINC000676306024 486729083 /nfs/dbraw/zinc/72/90/83/486729083.db2.gz WVZWRDSHWBTPLV-UHFFFAOYSA-N 2 2 340.431 1.921 20 0 EDADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000671760343 486744289 /nfs/dbraw/zinc/74/42/89/486744289.db2.gz YBQBSCXKTRKFFS-LSDHHAIUSA-N 2 2 327.432 1.965 20 0 EDADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000671760341 486744429 /nfs/dbraw/zinc/74/44/29/486744429.db2.gz YBQBSCXKTRKFFS-GJZGRUSLSA-N 2 2 327.432 1.965 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000680611046 486829120 /nfs/dbraw/zinc/82/91/20/486829120.db2.gz ZIBFBJYOWPJCNT-INIZCTEOSA-N 2 2 346.479 1.491 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1c[nH]c[nH+]1 ZINC000683918123 486866799 /nfs/dbraw/zinc/86/67/99/486866799.db2.gz DQHMMVCZQZLWPA-UHFFFAOYSA-N 2 2 327.432 1.863 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)[nH+]1 ZINC000667635214 486890447 /nfs/dbraw/zinc/89/04/47/486890447.db2.gz LWTVMNJIWSBVFH-JKSUJKDBSA-N 2 2 344.459 1.875 20 0 EDADLP CCCn1nccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667641695 486893503 /nfs/dbraw/zinc/89/35/03/486893503.db2.gz ADAHBFBNQRYNFJ-UHFFFAOYSA-N 2 2 333.480 1.582 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000673126336 486918945 /nfs/dbraw/zinc/91/89/45/486918945.db2.gz KELPBYKNTUWOIB-AWEZNQCLSA-N 2 2 332.448 1.239 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676898294 486923014 /nfs/dbraw/zinc/92/30/14/486923014.db2.gz JDWXFSQQOPSTHE-QWHCGFSZSA-N 2 2 341.415 1.601 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000676898294 486923018 /nfs/dbraw/zinc/92/30/18/486923018.db2.gz JDWXFSQQOPSTHE-QWHCGFSZSA-N 2 2 341.415 1.601 20 0 EDADLP COc1cccc(C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000677129787 486982170 /nfs/dbraw/zinc/98/21/70/486982170.db2.gz OYZXJSCBXPEVPV-SFHVURJKSA-N 2 2 331.460 1.380 20 0 EDADLP CC[N@@H+]1CCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000677196374 487006690 /nfs/dbraw/zinc/00/66/90/487006690.db2.gz SHMNTUXQIPPQOA-IRXDYDNUSA-N 2 2 345.491 1.145 20 0 EDADLP CC[N@H+]1CCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000677196374 487006695 /nfs/dbraw/zinc/00/66/95/487006695.db2.gz SHMNTUXQIPPQOA-IRXDYDNUSA-N 2 2 345.491 1.145 20 0 EDADLP COC1CC[NH+](CCNC(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000681305397 487008033 /nfs/dbraw/zinc/00/80/33/487008033.db2.gz ZIXQZBCYDNXUFD-UHFFFAOYSA-N 2 2 344.459 1.962 20 0 EDADLP C[C@@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000677290646 487034480 /nfs/dbraw/zinc/03/44/80/487034480.db2.gz ONBYVTLZTCTBHU-CGTJXYLNSA-N 3 2 338.540 1.732 20 0 EDADLP C[C@@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000677290646 487034485 /nfs/dbraw/zinc/03/44/85/487034485.db2.gz ONBYVTLZTCTBHU-CGTJXYLNSA-N 3 2 338.540 1.732 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCCNc3cc[nH+]cc3)[nH+]c12 ZINC000673781444 487112842 /nfs/dbraw/zinc/11/28/42/487112842.db2.gz WJZSQCLKKZOATP-UHFFFAOYSA-N 2 2 338.415 1.413 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2[nH+]1 ZINC000668156027 487122202 /nfs/dbraw/zinc/12/22/02/487122202.db2.gz FRLDYXVSSPTXPU-HNNXBMFYSA-N 2 2 343.431 1.829 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862688 487136747 /nfs/dbraw/zinc/13/67/47/487136747.db2.gz PIIFIUDPEQLMNL-AWEZNQCLSA-N 2 2 343.435 1.025 20 0 EDADLP C[C@@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C[NH+]1CCOCC1 ZINC000673861648 487136782 /nfs/dbraw/zinc/13/67/82/487136782.db2.gz KAJSSOWVCZTLEK-AWEZNQCLSA-N 2 2 344.419 1.357 20 0 EDADLP C[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000673843036 487131596 /nfs/dbraw/zinc/13/15/96/487131596.db2.gz YRGNJADVNIAFDT-APWZRJJASA-N 2 2 342.443 1.272 20 0 EDADLP C[C@H](CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000673843036 487131603 /nfs/dbraw/zinc/13/16/03/487131603.db2.gz YRGNJADVNIAFDT-APWZRJJASA-N 2 2 342.443 1.272 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677985622 487219886 /nfs/dbraw/zinc/21/98/86/487219886.db2.gz UWMPJVJLPXULCL-AEFFLSMTSA-N 2 2 335.492 1.432 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677985622 487219888 /nfs/dbraw/zinc/21/98/88/487219888.db2.gz UWMPJVJLPXULCL-AEFFLSMTSA-N 2 2 335.492 1.432 20 0 EDADLP COC[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674431902 487257147 /nfs/dbraw/zinc/25/71/47/487257147.db2.gz VZGZSLGMTPETEF-KRWDZBQOSA-N 2 2 338.496 1.365 20 0 EDADLP COC[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000674497706 487267884 /nfs/dbraw/zinc/26/78/84/487267884.db2.gz CCYDQCIINVZBRR-MRXNPFEDSA-N 2 2 337.489 1.503 20 0 EDADLP COC[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000674497706 487267886 /nfs/dbraw/zinc/26/78/86/487267886.db2.gz CCYDQCIINVZBRR-MRXNPFEDSA-N 2 2 337.489 1.503 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3cccnc3)CC2)CC1 ZINC000678167551 487260914 /nfs/dbraw/zinc/26/09/14/487260914.db2.gz JICSNBXLDSKICN-INIZCTEOSA-N 2 2 330.476 1.814 20 0 EDADLP CC(C)[C@H](COCc1ccccc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000682133632 487308160 /nfs/dbraw/zinc/30/81/60/487308160.db2.gz ZXKFJLGXXUHSNX-SFHVURJKSA-N 2 2 333.476 1.591 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000674751319 487309157 /nfs/dbraw/zinc/30/91/57/487309157.db2.gz OXINFMVYUZLWQK-CABCVRRESA-N 2 2 326.466 1.192 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000674751319 487309160 /nfs/dbraw/zinc/30/91/60/487309160.db2.gz OXINFMVYUZLWQK-CABCVRRESA-N 2 2 326.466 1.192 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCc4nccn4C3)CC2)CC1 ZINC000682483895 487374176 /nfs/dbraw/zinc/37/41/76/487374176.db2.gz OBQAOEBODXOVFT-HNNXBMFYSA-N 2 2 345.491 1.120 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC000682483895 487374178 /nfs/dbraw/zinc/37/41/78/487374178.db2.gz OBQAOEBODXOVFT-HNNXBMFYSA-N 3 2 345.491 1.120 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000675095357 487377179 /nfs/dbraw/zinc/37/71/79/487377179.db2.gz IDRXIVUPILBGOR-KBXCAEBGSA-N 2 2 328.460 1.784 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000675095357 487377181 /nfs/dbraw/zinc/37/71/81/487377181.db2.gz IDRXIVUPILBGOR-KBXCAEBGSA-N 2 2 328.460 1.784 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)c1 ZINC000682513534 487379536 /nfs/dbraw/zinc/37/95/36/487379536.db2.gz LWCDVXJAAQPMLO-OAHLLOKOSA-N 2 2 325.416 1.498 20 0 EDADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000679062075 487389794 /nfs/dbraw/zinc/38/97/94/487389794.db2.gz BGYVDUWIAOADOO-BBRMVZONSA-N 2 2 333.480 1.766 20 0 EDADLP Cc1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000682710002 487408224 /nfs/dbraw/zinc/40/82/24/487408224.db2.gz ZCKMZDDFISRAOM-KRWDZBQOSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000682710002 487408225 /nfs/dbraw/zinc/40/82/25/487408225.db2.gz ZCKMZDDFISRAOM-KRWDZBQOSA-N 2 2 345.491 1.700 20 0 EDADLP C[N@@H+]1CC[C@H](Cn2nnc([C@H]3C[NH+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712971 487409008 /nfs/dbraw/zinc/40/90/08/487409008.db2.gz UHIXJRMGOXHVOS-DLBZAZTESA-N 2 2 342.447 1.198 20 0 EDADLP C[N@H+]1CC[C@H](Cn2nnc([C@H]3C[NH+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712971 487409011 /nfs/dbraw/zinc/40/90/11/487409011.db2.gz UHIXJRMGOXHVOS-DLBZAZTESA-N 2 2 342.447 1.198 20 0 EDADLP C[NH+]1CC[C@H](Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712971 487409014 /nfs/dbraw/zinc/40/90/14/487409014.db2.gz UHIXJRMGOXHVOS-DLBZAZTESA-N 2 2 342.447 1.198 20 0 EDADLP C[NH+]1CC[C@H](Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712971 487409017 /nfs/dbraw/zinc/40/90/17/487409017.db2.gz UHIXJRMGOXHVOS-DLBZAZTESA-N 2 2 342.447 1.198 20 0 EDADLP Cc1cc(C)cc(OCCC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000679372751 487418518 /nfs/dbraw/zinc/41/85/18/487418518.db2.gz BPCZSBSZEAMLFL-UHFFFAOYSA-N 2 2 333.476 1.778 20 0 EDADLP Cc1cc(C)cc(OCCC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000679372751 487418521 /nfs/dbraw/zinc/41/85/21/487418521.db2.gz BPCZSBSZEAMLFL-UHFFFAOYSA-N 2 2 333.476 1.778 20 0 EDADLP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000669521445 485488909 /nfs/dbraw/zinc/48/89/09/485488909.db2.gz NVHFSPBNBJURQD-PBHICJAKSA-N 2 2 325.416 1.273 20 0 EDADLP Cc1ccc(OC(F)F)c(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000669526659 485500459 /nfs/dbraw/zinc/50/04/59/485500459.db2.gz KPGOLDFDEYWJPZ-ZDUSSCGKSA-N 2 2 342.390 1.381 20 0 EDADLP Cc1ccc(OC(F)F)c(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000669526659 485500467 /nfs/dbraw/zinc/50/04/67/485500467.db2.gz KPGOLDFDEYWJPZ-ZDUSSCGKSA-N 2 2 342.390 1.381 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000669024421 485574205 /nfs/dbraw/zinc/57/42/05/485574205.db2.gz GUEXPJACVFPYEO-MRXNPFEDSA-N 2 2 329.448 1.718 20 0 EDADLP CO[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000668374451 485660200 /nfs/dbraw/zinc/66/02/00/485660200.db2.gz MAQXWDAZCYLBGQ-RDJZCZTQSA-N 2 2 340.512 1.515 20 0 EDADLP CO[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000668374451 485660207 /nfs/dbraw/zinc/66/02/07/485660207.db2.gz MAQXWDAZCYLBGQ-RDJZCZTQSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](CSc1ccc(F)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572118157 485979606 /nfs/dbraw/zinc/97/96/06/485979606.db2.gz XDWISNRFZQAFDG-GXTWGEPZSA-N 2 2 325.453 1.655 20 0 EDADLP C[C@@H](CSc1ccc(F)cc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572118157 485979599 /nfs/dbraw/zinc/97/95/99/485979599.db2.gz XDWISNRFZQAFDG-GXTWGEPZSA-N 2 2 325.453 1.655 20 0 EDADLP Cc1csc([C@H](C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640467 485984910 /nfs/dbraw/zinc/98/49/10/485984910.db2.gz RWAHRUIZIZNVHO-KGLIPLIRSA-N 2 2 336.505 1.840 20 0 EDADLP Cc1csc([C@H](C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640467 485984915 /nfs/dbraw/zinc/98/49/15/485984915.db2.gz RWAHRUIZIZNVHO-KGLIPLIRSA-N 2 2 336.505 1.840 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000237972761 486021287 /nfs/dbraw/zinc/02/12/87/486021287.db2.gz DOISXMYBFXXANC-INIZCTEOSA-N 2 2 329.400 1.369 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000237972761 486021289 /nfs/dbraw/zinc/02/12/89/486021289.db2.gz DOISXMYBFXXANC-INIZCTEOSA-N 2 2 329.400 1.369 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C2CC(NS(C)(=O)=O)C2)n1-c1ccccc1 ZINC000669832288 486469058 /nfs/dbraw/zinc/46/90/58/486469058.db2.gz TUBURXQPFWXGFH-UHFFFAOYSA-N 2 2 334.445 1.351 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000670081489 486607165 /nfs/dbraw/zinc/60/71/65/486607165.db2.gz YDOFEIBVOQJBGK-INIZCTEOSA-N 2 2 327.432 1.994 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000130187970 491002929 /nfs/dbraw/zinc/00/29/29/491002929.db2.gz QPTWECNOMAXYJG-UHFFFAOYSA-N 2 2 349.479 1.108 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000266652045 491020312 /nfs/dbraw/zinc/02/03/12/491020312.db2.gz YRFQZSGBJLNCPX-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000266652045 491020313 /nfs/dbraw/zinc/02/03/13/491020313.db2.gz YRFQZSGBJLNCPX-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000266652045 491020314 /nfs/dbraw/zinc/02/03/14/491020314.db2.gz YRFQZSGBJLNCPX-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000266652045 491020315 /nfs/dbraw/zinc/02/03/15/491020315.db2.gz YRFQZSGBJLNCPX-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP [NH3+]CC1(CC(=O)NCc2ccc[nH+]c2N2CCOCC2)CCCCC1 ZINC000184223286 534589918 /nfs/dbraw/zinc/58/99/18/534589918.db2.gz VALDGAXCYUENLK-UHFFFAOYSA-N 2 2 346.475 1.834 20 0 EDADLP CC(C)(CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000174113558 527122483 /nfs/dbraw/zinc/12/24/83/527122483.db2.gz ZTTCTFJIUGGYTC-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000069805406 535002829 /nfs/dbraw/zinc/00/28/29/535002829.db2.gz MAVKNUDGRUFYLO-SFHVURJKSA-N 2 2 339.524 1.924 20 0 EDADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000069805406 535002832 /nfs/dbraw/zinc/00/28/32/535002832.db2.gz MAVKNUDGRUFYLO-SFHVURJKSA-N 2 2 339.524 1.924 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000346159458 535102382 /nfs/dbraw/zinc/10/23/82/535102382.db2.gz XGNPNBPVVGOKQU-OAHLLOKOSA-N 2 2 336.480 1.941 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000347712724 535164175 /nfs/dbraw/zinc/16/41/75/535164175.db2.gz BAXQQWSMBQNGMW-CABCVRRESA-N 2 2 334.464 1.761 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000347712724 535164179 /nfs/dbraw/zinc/16/41/79/535164179.db2.gz BAXQQWSMBQNGMW-CABCVRRESA-N 2 2 334.464 1.761 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)Nc2ccc(OC)cc2)CC1 ZINC000077249153 535456561 /nfs/dbraw/zinc/45/65/61/535456561.db2.gz VFSDPXXJUFMHTK-UHFFFAOYSA-N 2 2 348.447 1.759 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)Nc2ccc(OC)cc2)CC1 ZINC000077249153 535456569 /nfs/dbraw/zinc/45/65/69/535456569.db2.gz VFSDPXXJUFMHTK-UHFFFAOYSA-N 2 2 348.447 1.759 20 0 EDADLP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339702747 535610318 /nfs/dbraw/zinc/61/03/18/535610318.db2.gz GSTOOYQMESOZPE-MRXNPFEDSA-N 2 2 333.476 1.865 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000237085843 535848340 /nfs/dbraw/zinc/84/83/40/535848340.db2.gz NMCSUGCIDQUCDA-SZOQZIPDSA-N 2 2 334.464 1.685 20 0 EDADLP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263283153 535903722 /nfs/dbraw/zinc/90/37/22/535903722.db2.gz UODRJMTYCJKWGH-OAHLLOKOSA-N 2 2 341.402 1.283 20 0 EDADLP CC[C@H](C)[C@@](C)(O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340248128 535919362 /nfs/dbraw/zinc/91/93/62/535919362.db2.gz BWEQVFJOXGSWPF-YOEHRIQHSA-N 2 2 328.501 1.109 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@H]1C)C1CCOCC1 ZINC000333591339 536124612 /nfs/dbraw/zinc/12/46/12/536124612.db2.gz BAMVOZIQSKELEW-IIAWOOMASA-N 2 2 349.479 1.763 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1c(F)cccc1F ZINC000245453519 536134940 /nfs/dbraw/zinc/13/49/40/536134940.db2.gz FTVANNWDSOCNRB-KGLIPLIRSA-N 2 2 327.375 1.014 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1c(F)cccc1F ZINC000245453519 536134947 /nfs/dbraw/zinc/13/49/47/536134947.db2.gz FTVANNWDSOCNRB-KGLIPLIRSA-N 2 2 327.375 1.014 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3Cc4ccccc4O3)CC2)CC1 ZINC000195205848 536339603 /nfs/dbraw/zinc/33/96/03/536339603.db2.gz NOTHMEGBANXSGR-LJQANCHMSA-N 2 2 343.471 1.665 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000261956645 536340357 /nfs/dbraw/zinc/34/03/57/536340357.db2.gz QWFZYMBXCUVNHE-KRWDZBQOSA-N 3 2 334.508 1.051 20 0 EDADLP COc1cc(CN2CC[C@H]([NH2+][C@@H]3C[N@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000344900838 536771957 /nfs/dbraw/zinc/77/19/57/536771957.db2.gz GTUMNAHRSYFCAI-SIXWZSSISA-N 2 2 333.476 1.818 20 0 EDADLP COc1cc(CN2CC[C@H]([NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000344900838 536771965 /nfs/dbraw/zinc/77/19/65/536771965.db2.gz GTUMNAHRSYFCAI-SIXWZSSISA-N 2 2 333.476 1.818 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[N@H+](C)C1 ZINC000347648601 536778013 /nfs/dbraw/zinc/77/80/13/536778013.db2.gz HTCVPPSMJIACSH-HRCADAONSA-N 2 2 347.463 1.021 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[N@@H+](C)C1 ZINC000347648601 536778017 /nfs/dbraw/zinc/77/80/17/536778017.db2.gz HTCVPPSMJIACSH-HRCADAONSA-N 2 2 347.463 1.021 20 0 EDADLP COc1cccc(CC(=O)N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000346855572 537100436 /nfs/dbraw/zinc/10/04/36/537100436.db2.gz OFSGXMBHZYSCMO-KRWDZBQOSA-N 2 2 331.460 1.382 20 0 EDADLP Cc1cc(NCc2ccccc2OCC[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000744164664 579502455 /nfs/dbraw/zinc/50/24/55/579502455.db2.gz BCDSVHLHWRSQDX-UHFFFAOYSA-N 2 2 343.431 1.690 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000729589467 578583178 /nfs/dbraw/zinc/58/31/78/578583178.db2.gz RADUHSCIVJQCIW-INIZCTEOSA-N 2 2 340.431 1.647 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000729589467 578583179 /nfs/dbraw/zinc/58/31/79/578583179.db2.gz RADUHSCIVJQCIW-INIZCTEOSA-N 2 2 340.431 1.647 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCCCCNc2cccc[nH+]2)CCO1 ZINC000729605271 578584283 /nfs/dbraw/zinc/58/42/83/578584283.db2.gz HYZGWYMGHMOCGZ-HNNXBMFYSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCCCCNc2cccc[nH+]2)CCO1 ZINC000729605271 578584285 /nfs/dbraw/zinc/58/42/85/578584285.db2.gz HYZGWYMGHMOCGZ-HNNXBMFYSA-N 2 2 335.452 1.294 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCC[NH+]1CCCC1 ZINC000729689815 578588131 /nfs/dbraw/zinc/58/81/31/578588131.db2.gz QSZZWWOZNCPUCW-UHFFFAOYSA-N 3 2 338.540 1.737 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCC[NH+]1CCCC1 ZINC000729689815 578588133 /nfs/dbraw/zinc/58/81/33/578588133.db2.gz QSZZWWOZNCPUCW-UHFFFAOYSA-N 3 2 338.540 1.737 20 0 EDADLP Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CC[NH+](CCO)CC3)cc12 ZINC000729926896 578597850 /nfs/dbraw/zinc/59/78/50/578597850.db2.gz RKOXOMIXVXETJS-UHFFFAOYSA-N 2 2 337.855 1.476 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000729919836 578599286 /nfs/dbraw/zinc/59/92/86/578599286.db2.gz FWRQDKACOMKTNT-ZDUSSCGKSA-N 2 2 340.387 1.741 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000729919836 578599288 /nfs/dbraw/zinc/59/92/88/578599288.db2.gz FWRQDKACOMKTNT-ZDUSSCGKSA-N 2 2 340.387 1.741 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000729929421 578602319 /nfs/dbraw/zinc/60/23/19/578602319.db2.gz VGESFZNNAUTVMC-HNNXBMFYSA-N 2 2 329.466 1.280 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000729929421 578602320 /nfs/dbraw/zinc/60/23/20/578602320.db2.gz VGESFZNNAUTVMC-HNNXBMFYSA-N 2 2 329.466 1.280 20 0 EDADLP C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000730261960 578637685 /nfs/dbraw/zinc/63/76/85/578637685.db2.gz VKRZXLDBXUYUCZ-WBVHZDCISA-N 2 2 335.448 1.159 20 0 EDADLP C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000730261960 578637686 /nfs/dbraw/zinc/63/76/86/578637686.db2.gz VKRZXLDBXUYUCZ-WBVHZDCISA-N 2 2 335.448 1.159 20 0 EDADLP C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000730261958 578637693 /nfs/dbraw/zinc/63/76/93/578637693.db2.gz VKRZXLDBXUYUCZ-RDJZCZTQSA-N 2 2 335.448 1.159 20 0 EDADLP C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000730261958 578637694 /nfs/dbraw/zinc/63/76/94/578637694.db2.gz VKRZXLDBXUYUCZ-RDJZCZTQSA-N 2 2 335.448 1.159 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000732446940 578712711 /nfs/dbraw/zinc/71/27/11/578712711.db2.gz YLFJDQRRTJQFJG-INIZCTEOSA-N 2 2 342.447 1.939 20 0 EDADLP COc1ccc(/C=C\C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732779260 578727671 /nfs/dbraw/zinc/72/76/71/578727671.db2.gz CKSSSYDGEOBKIU-CTEOGUNLSA-N 2 2 343.471 1.993 20 0 EDADLP COc1ccc(/C=C\C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732779260 578727672 /nfs/dbraw/zinc/72/76/72/578727672.db2.gz CKSSSYDGEOBKIU-CTEOGUNLSA-N 2 2 343.471 1.993 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000736859215 579027662 /nfs/dbraw/zinc/02/76/62/579027662.db2.gz XMMSLTWPWOHASL-ZDUSSCGKSA-N 2 2 343.435 1.079 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000736859215 579027663 /nfs/dbraw/zinc/02/76/63/579027663.db2.gz XMMSLTWPWOHASL-ZDUSSCGKSA-N 2 2 343.435 1.079 20 0 EDADLP C[NH+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000736859215 579027664 /nfs/dbraw/zinc/02/76/64/579027664.db2.gz XMMSLTWPWOHASL-ZDUSSCGKSA-N 2 2 343.435 1.079 20 0 EDADLP C[NH+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000736859215 579027665 /nfs/dbraw/zinc/02/76/65/579027665.db2.gz XMMSLTWPWOHASL-ZDUSSCGKSA-N 2 2 343.435 1.079 20 0 EDADLP C[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000738070835 579156974 /nfs/dbraw/zinc/15/69/74/579156974.db2.gz BPFFZMRLAKZLAU-SFHVURJKSA-N 2 2 334.464 1.472 20 0 EDADLP C[C@H]1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CCC1 ZINC000761302904 580054419 /nfs/dbraw/zinc/05/44/19/580054419.db2.gz LRKNYJJCXFHLFY-BBRMVZONSA-N 2 2 334.464 1.360 20 0 EDADLP C[C@H]1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CCC1 ZINC000761302904 580054420 /nfs/dbraw/zinc/05/44/20/580054420.db2.gz LRKNYJJCXFHLFY-BBRMVZONSA-N 2 2 334.464 1.360 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)CCO1 ZINC000739010607 579193874 /nfs/dbraw/zinc/19/38/74/579193874.db2.gz QWRNXJXKBYYMLQ-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)CCO1 ZINC000739010607 579193875 /nfs/dbraw/zinc/19/38/75/579193875.db2.gz QWRNXJXKBYYMLQ-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCO1 ZINC000739010607 579193876 /nfs/dbraw/zinc/19/38/76/579193876.db2.gz QWRNXJXKBYYMLQ-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCO1 ZINC000739010607 579193877 /nfs/dbraw/zinc/19/38/77/579193877.db2.gz QWRNXJXKBYYMLQ-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000739008582 579193879 /nfs/dbraw/zinc/19/38/79/579193879.db2.gz JARMWJBDIIUHCY-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000739008582 579193880 /nfs/dbraw/zinc/19/38/80/579193880.db2.gz JARMWJBDIIUHCY-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(F)n3)C2)CC1 ZINC000747973230 579665220 /nfs/dbraw/zinc/66/52/20/579665220.db2.gz KXWSLMKZQIZZOS-AWEZNQCLSA-N 2 2 335.427 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(F)n3)C2)CC1 ZINC000747973230 579665221 /nfs/dbraw/zinc/66/52/21/579665221.db2.gz KXWSLMKZQIZZOS-AWEZNQCLSA-N 2 2 335.427 1.188 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777665971 580448016 /nfs/dbraw/zinc/44/80/16/580448016.db2.gz SPBIYLOAIPZSNU-HZPDHXFCSA-N 2 2 347.463 1.141 20 0 EDADLP Cc1cccc(F)c1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000748964472 579708497 /nfs/dbraw/zinc/70/84/97/579708497.db2.gz QXFKEVUVMQGDEV-UHFFFAOYSA-N 2 2 336.455 1.959 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=S)NCCc2ccccn2)CC1 ZINC000749004129 579709908 /nfs/dbraw/zinc/70/99/08/579709908.db2.gz DTUBTUNFSHADSE-UHFFFAOYSA-N 2 2 335.521 1.114 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000751363089 579803037 /nfs/dbraw/zinc/80/30/37/579803037.db2.gz KIMOCMMHXKMHPS-UHFFFAOYSA-N 2 2 337.489 1.157 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000753544134 579882538 /nfs/dbraw/zinc/88/25/38/579882538.db2.gz ICQJZBPBEJAXEO-XMMPIXPASA-N 2 2 347.488 1.072 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)S1 ZINC000758019410 579974666 /nfs/dbraw/zinc/97/46/66/579974666.db2.gz ARBYWWDTJWDFMW-STQMWFEESA-N 2 2 342.534 1.059 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)S1 ZINC000758019410 579974667 /nfs/dbraw/zinc/97/46/67/579974667.db2.gz ARBYWWDTJWDFMW-STQMWFEESA-N 2 2 342.534 1.059 20 0 EDADLP OCc1nn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(=S)n1C1CC1 ZINC000758329313 579979943 /nfs/dbraw/zinc/97/99/43/579979943.db2.gz DRAGMKGOMWMMFQ-ZDUSSCGKSA-N 2 2 334.449 1.732 20 0 EDADLP OCc1nn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(=S)n1C1CC1 ZINC000758329313 579979944 /nfs/dbraw/zinc/97/99/44/579979944.db2.gz DRAGMKGOMWMMFQ-ZDUSSCGKSA-N 2 2 334.449 1.732 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)c2cccc3[nH+]ccn32)ccn1 ZINC000763219383 580095467 /nfs/dbraw/zinc/09/54/67/580095467.db2.gz CTJSIMUGISKZCX-UHFFFAOYSA-N 2 2 339.399 1.600 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000764005878 580110741 /nfs/dbraw/zinc/11/07/41/580110741.db2.gz GHKBWGSOONBTEY-KRWDZBQOSA-N 2 2 343.475 1.078 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000764005878 580110742 /nfs/dbraw/zinc/11/07/42/580110742.db2.gz GHKBWGSOONBTEY-KRWDZBQOSA-N 2 2 343.475 1.078 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000766930933 580177444 /nfs/dbraw/zinc/17/74/44/580177444.db2.gz AYAWWUAMTRZLGB-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000766930933 580177445 /nfs/dbraw/zinc/17/74/45/580177445.db2.gz AYAWWUAMTRZLGB-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000767436768 580189804 /nfs/dbraw/zinc/18/98/04/580189804.db2.gz ZCWCGFRNKGEUHY-GJZGRUSLSA-N 2 2 329.466 1.217 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000767436768 580189805 /nfs/dbraw/zinc/18/98/05/580189805.db2.gz ZCWCGFRNKGEUHY-GJZGRUSLSA-N 2 2 329.466 1.217 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767557303 580192852 /nfs/dbraw/zinc/19/28/52/580192852.db2.gz XWZQEDZWQSUUGK-KRWDZBQOSA-N 2 2 335.448 1.984 20 0 EDADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000769690536 580242908 /nfs/dbraw/zinc/24/29/08/580242908.db2.gz FQXUQAFTLHXSSF-KGLIPLIRSA-N 2 2 342.484 1.042 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000769870694 580247476 /nfs/dbraw/zinc/24/74/76/580247476.db2.gz QHAWWHNCMQAKEJ-QLFBSQMISA-N 2 2 327.469 1.288 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000769870694 580247477 /nfs/dbraw/zinc/24/74/77/580247477.db2.gz QHAWWHNCMQAKEJ-QLFBSQMISA-N 2 2 327.469 1.288 20 0 EDADLP CCc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000769875237 580247661 /nfs/dbraw/zinc/24/76/61/580247661.db2.gz NYNJJZVZZAIFAH-GOEBONIOSA-N 2 2 336.480 1.603 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000769979272 580250321 /nfs/dbraw/zinc/25/03/21/580250321.db2.gz JJJHNCSHGAEDTJ-PBHICJAKSA-N 2 2 343.431 1.391 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000769979272 580250322 /nfs/dbraw/zinc/25/03/22/580250322.db2.gz JJJHNCSHGAEDTJ-PBHICJAKSA-N 2 2 343.431 1.391 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(CN3CCSC3=O)CC2)CC1 ZINC000771173767 580281728 /nfs/dbraw/zinc/28/17/28/580281728.db2.gz HOVVUKWQPZPQQC-UHFFFAOYSA-N 2 2 326.510 1.603 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000775577247 580394124 /nfs/dbraw/zinc/39/41/24/580394124.db2.gz WQFKERRSECNXFQ-CYBMUJFWSA-N 2 2 330.388 1.044 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000775577247 580394125 /nfs/dbraw/zinc/39/41/25/580394125.db2.gz WQFKERRSECNXFQ-CYBMUJFWSA-N 2 2 330.388 1.044 20 0 EDADLP Cc1noc([C@@H](C)ONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000779644879 580492455 /nfs/dbraw/zinc/49/24/55/580492455.db2.gz DDNJUCURCMXJPC-IUODEOHRSA-N 2 2 345.403 1.838 20 0 EDADLP Cc1noc([C@@H](C)ONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000779644879 580492456 /nfs/dbraw/zinc/49/24/56/580492456.db2.gz DDNJUCURCMXJPC-IUODEOHRSA-N 2 2 345.403 1.838 20 0 EDADLP C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000783732112 580604974 /nfs/dbraw/zinc/60/49/74/580604974.db2.gz AZLKOIIZAKZNOJ-MRXNPFEDSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000783732112 580604975 /nfs/dbraw/zinc/60/49/75/580604975.db2.gz AZLKOIIZAKZNOJ-MRXNPFEDSA-N 2 2 331.460 1.824 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC(OC(C)(C)C)CC2)C1 ZINC000783997922 580611251 /nfs/dbraw/zinc/61/12/51/580611251.db2.gz WMGFBGYVQGNPGQ-CQSZACIVSA-N 2 2 334.464 1.973 20 0 EDADLP Cn1nc(Br)cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000787164633 580688610 /nfs/dbraw/zinc/68/86/10/580688610.db2.gz MLPOBNRCVYATBH-UHFFFAOYSA-N 2 2 345.285 1.725 20 0 EDADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000794662343 580901856 /nfs/dbraw/zinc/90/18/56/580901856.db2.gz RGFMLDWSRUIDAD-GRYCIOLGSA-N 2 2 330.354 1.966 20 0 EDADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000794662343 580901857 /nfs/dbraw/zinc/90/18/57/580901857.db2.gz RGFMLDWSRUIDAD-GRYCIOLGSA-N 2 2 330.354 1.966 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 ZINC000794950226 580908842 /nfs/dbraw/zinc/90/88/42/580908842.db2.gz WJIJGDMAXGLPAO-CVEARBPZSA-N 2 2 338.496 1.175 20 0 EDADLP C[N@H+]1C[C@H]2CCN(CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)[C@H]2C1 ZINC000794950226 580908843 /nfs/dbraw/zinc/90/88/43/580908843.db2.gz WJIJGDMAXGLPAO-CVEARBPZSA-N 2 2 338.496 1.175 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)s1 ZINC000796318093 580950780 /nfs/dbraw/zinc/95/07/80/580950780.db2.gz WEWGFYOTVRAVFP-UHFFFAOYSA-N 2 2 326.466 1.914 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CC[C@H](c3ccccn3)C1)C[NH+]1CCC2CC1 ZINC000799155565 581019675 /nfs/dbraw/zinc/01/96/75/581019675.db2.gz OKOQQDIXXKVWFG-KXBFYZLASA-N 2 2 342.443 1.745 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CC[C@H](c3ccccn3)C1)C[NH+]1CCC2CC1 ZINC000799155565 581019676 /nfs/dbraw/zinc/01/96/76/581019676.db2.gz OKOQQDIXXKVWFG-KXBFYZLASA-N 2 2 342.443 1.745 20 0 EDADLP Cc1cc(C)nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000801094485 581065505 /nfs/dbraw/zinc/06/55/05/581065505.db2.gz LMAOFYFZNGPONW-QGZVFWFLSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1cc(C)nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000801094485 581065506 /nfs/dbraw/zinc/06/55/06/581065506.db2.gz LMAOFYFZNGPONW-QGZVFWFLSA-N 2 2 330.476 1.939 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000891858198 590658969 /nfs/dbraw/zinc/65/89/69/590658969.db2.gz MEINLYWTRQAODG-QGZVFWFLSA-N 2 2 338.496 1.258 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893182315 590699658 /nfs/dbraw/zinc/69/96/58/590699658.db2.gz HZIIGBKHYUDUBF-IPQPSQTFSA-N 2 2 345.487 1.575 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893182315 590699661 /nfs/dbraw/zinc/69/96/61/590699661.db2.gz HZIIGBKHYUDUBF-IPQPSQTFSA-N 2 2 345.487 1.575 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000891989689 590730474 /nfs/dbraw/zinc/73/04/74/590730474.db2.gz GMGJMJXBKPPEMQ-UHFFFAOYSA-N 2 2 335.496 1.991 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)c1 ZINC000892019216 590750163 /nfs/dbraw/zinc/75/01/63/590750163.db2.gz PGMNCFCGFJCKJH-ROUUACIJSA-N 2 2 348.491 1.478 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)c1 ZINC000892019216 590750167 /nfs/dbraw/zinc/75/01/67/590750167.db2.gz PGMNCFCGFJCKJH-ROUUACIJSA-N 2 2 348.491 1.478 20 0 EDADLP CSc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ncn1 ZINC000888960268 590778450 /nfs/dbraw/zinc/77/84/50/590778450.db2.gz QEBMKBUSXBSLIS-UHFFFAOYSA-N 2 2 338.481 1.346 20 0 EDADLP C[C@H](C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)[NH+](C)C ZINC000893343174 590791409 /nfs/dbraw/zinc/79/14/09/590791409.db2.gz FHCPDIAGQAGUPE-RBSFLKMASA-N 2 2 341.496 1.989 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892090716 590794170 /nfs/dbraw/zinc/79/41/70/590794170.db2.gz HDZCPELDSCRHMO-DJIMGWMZSA-N 2 2 327.432 1.922 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC/C=C\C[NH3+])C2)cc1 ZINC000892120550 590810198 /nfs/dbraw/zinc/81/01/98/590810198.db2.gz BAZXPWKPEROWQU-KYVUIXNKSA-N 2 2 332.448 1.010 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC/C=C\C[NH3+])C2)cc1 ZINC000892120550 590810203 /nfs/dbraw/zinc/81/02/03/590810203.db2.gz BAZXPWKPEROWQU-KYVUIXNKSA-N 2 2 332.448 1.010 20 0 EDADLP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000890880625 590829250 /nfs/dbraw/zinc/82/92/50/590829250.db2.gz JLFFZGXOOMEZJC-HOTGVXAUSA-N 2 2 327.513 1.922 20 0 EDADLP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000890880625 590829253 /nfs/dbraw/zinc/82/92/53/590829253.db2.gz JLFFZGXOOMEZJC-HOTGVXAUSA-N 2 2 327.513 1.922 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892198377 590862217 /nfs/dbraw/zinc/86/22/17/590862217.db2.gz BCFZJXWPMMZAFR-CHWSQXEVSA-N 2 2 337.493 1.560 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn(Cc3ccccc3)nn2)C[C@@H](C)O1 ZINC000892487366 591045331 /nfs/dbraw/zinc/04/53/31/591045331.db2.gz IQKAGXKRFQMIKV-IAGOWNOFSA-N 2 2 343.475 1.915 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000892581464 591079649 /nfs/dbraw/zinc/07/96/49/591079649.db2.gz HKVPUFVAZWEADV-KOMQPUFPSA-N 2 2 336.867 1.905 20 0 EDADLP CCc1nnc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)s1 ZINC000892596104 591086812 /nfs/dbraw/zinc/08/68/12/591086812.db2.gz LWHVGRTZSZDNQL-UHFFFAOYSA-N 2 2 346.504 1.927 20 0 EDADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2ccco2)CC1 ZINC000892607103 591091471 /nfs/dbraw/zinc/09/14/71/591091471.db2.gz PUUSXDRCDNIBIH-MUJYYYPQSA-N 2 2 332.448 1.637 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)C2)c1 ZINC000892607795 591092061 /nfs/dbraw/zinc/09/20/61/591092061.db2.gz BBYJBRFRNQXCMN-SZMVWBNQSA-N 2 2 346.475 1.327 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)C2)c1 ZINC000892607795 591092066 /nfs/dbraw/zinc/09/20/66/591092066.db2.gz BBYJBRFRNQXCMN-SZMVWBNQSA-N 2 2 346.475 1.327 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])C2)c1 ZINC000892608082 591092282 /nfs/dbraw/zinc/09/22/82/591092282.db2.gz DFSDWDHYLQTUQT-KRWDZBQOSA-N 2 2 348.491 1.575 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])C2)c1 ZINC000892608082 591092287 /nfs/dbraw/zinc/09/22/87/591092287.db2.gz DFSDWDHYLQTUQT-KRWDZBQOSA-N 2 2 348.491 1.575 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C2)cc1 ZINC000892610547 591094672 /nfs/dbraw/zinc/09/46/72/591094672.db2.gz CRFFJCCVQUYLPZ-DOTOQJQBSA-N 2 2 334.464 1.184 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C2)cc1 ZINC000892610547 591094677 /nfs/dbraw/zinc/09/46/77/591094677.db2.gz CRFFJCCVQUYLPZ-DOTOQJQBSA-N 2 2 334.464 1.184 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891504191 591096949 /nfs/dbraw/zinc/09/69/49/591096949.db2.gz MBGJFPJKVMKHNJ-GXFFZTMASA-N 2 2 331.342 1.529 20 0 EDADLP C[C@H](NC(=O)N(C)C1(C[NH3+])CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000891518341 591103996 /nfs/dbraw/zinc/10/39/96/591103996.db2.gz QKTNEJKKICDUHJ-GJZGRUSLSA-N 2 2 326.485 1.399 20 0 EDADLP Cn1nc2c(c1C[NH+]1CCN([C@@H]3CCC[N@H+](C)C3)CC1)CSCC2 ZINC000894014072 591171309 /nfs/dbraw/zinc/17/13/09/591171309.db2.gz ICBYQVSOCVMQBS-OAHLLOKOSA-N 2 2 349.548 1.421 20 0 EDADLP Cn1nc2c(c1C[NH+]1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)CSCC2 ZINC000894014072 591171311 /nfs/dbraw/zinc/17/13/11/591171311.db2.gz ICBYQVSOCVMQBS-OAHLLOKOSA-N 2 2 349.548 1.421 20 0 EDADLP CC(C)OC1CC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000895684524 591252502 /nfs/dbraw/zinc/25/25/02/591252502.db2.gz DMPUGPQQKHLHFR-AOCRQIFASA-N 2 2 325.497 1.329 20 0 EDADLP C[C@@]1(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCCS1 ZINC000895685274 591252591 /nfs/dbraw/zinc/25/25/91/591252591.db2.gz KYTKMNCGNOAHKQ-SJORKVTESA-N 2 2 327.538 1.658 20 0 EDADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000895859697 591289514 /nfs/dbraw/zinc/28/95/14/591289514.db2.gz VZRMREQCYFIJNV-MRXNPFEDSA-N 2 2 349.500 1.156 20 0 EDADLP CCO[C@H](CNc1nc2cc(OC)c(OC)cc2c(N)[nH+]1)C[NH+](C)C ZINC000896117098 591349202 /nfs/dbraw/zinc/34/92/02/591349202.db2.gz LFUQABALQDSNJU-LLVKDONJSA-N 2 2 349.435 1.608 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000896153031 591365608 /nfs/dbraw/zinc/36/56/08/591365608.db2.gz QMPUGMNNXCHRRL-OAHLLOKOSA-N 2 2 335.452 1.027 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000896153031 591365612 /nfs/dbraw/zinc/36/56/12/591365612.db2.gz QMPUGMNNXCHRRL-OAHLLOKOSA-N 2 2 335.452 1.027 20 0 EDADLP O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000898492167 591377836 /nfs/dbraw/zinc/37/78/36/591377836.db2.gz SFJJBMDVHOAQDA-ROUUACIJSA-N 2 2 348.466 1.844 20 0 EDADLP O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000898492167 591377841 /nfs/dbraw/zinc/37/78/41/591377841.db2.gz SFJJBMDVHOAQDA-ROUUACIJSA-N 2 2 348.466 1.844 20 0 EDADLP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000898492167 591377846 /nfs/dbraw/zinc/37/78/46/591377846.db2.gz SFJJBMDVHOAQDA-ROUUACIJSA-N 2 2 348.466 1.844 20 0 EDADLP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000898492167 591377852 /nfs/dbraw/zinc/37/78/52/591377852.db2.gz SFJJBMDVHOAQDA-ROUUACIJSA-N 2 2 348.466 1.844 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866948032 591382984 /nfs/dbraw/zinc/38/29/84/591382984.db2.gz FUMLQPPRWCYJCO-YFHOEESVSA-N 2 2 345.487 1.902 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866948032 591382989 /nfs/dbraw/zinc/38/29/89/591382989.db2.gz FUMLQPPRWCYJCO-YFHOEESVSA-N 2 2 345.487 1.902 20 0 EDADLP Cc1cc[nH+]c(N)c1CNc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000894816755 591429824 /nfs/dbraw/zinc/42/98/24/591429824.db2.gz FNXNSXWLIWUKSQ-UHFFFAOYSA-N 2 2 325.416 1.516 20 0 EDADLP Cc1cc[nH+]c(N)c1CNc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000894816755 591429826 /nfs/dbraw/zinc/42/98/26/591429826.db2.gz FNXNSXWLIWUKSQ-UHFFFAOYSA-N 2 2 325.416 1.516 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)n[nH]1 ZINC000909410393 591445336 /nfs/dbraw/zinc/44/53/36/591445336.db2.gz CRNYJQJMHHLUEY-MSOLQXFVSA-N 2 2 339.443 1.963 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)n[nH]1 ZINC000909410393 591445337 /nfs/dbraw/zinc/44/53/37/591445337.db2.gz CRNYJQJMHHLUEY-MSOLQXFVSA-N 2 2 339.443 1.963 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000898633782 591454984 /nfs/dbraw/zinc/45/49/84/591454984.db2.gz PQNLJQOLOXHJLV-UHFFFAOYSA-N 2 2 327.432 1.838 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000898633782 591454986 /nfs/dbraw/zinc/45/49/86/591454986.db2.gz PQNLJQOLOXHJLV-UHFFFAOYSA-N 2 2 327.432 1.838 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)[C@H]1OC ZINC000898719895 591483682 /nfs/dbraw/zinc/48/36/82/591483682.db2.gz HUXPSMSZOIOKOK-ICUOPCATSA-N 2 2 344.253 1.742 20 0 EDADLP C[NH+]1CCC(C[NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)CC1 ZINC000898719451 591483857 /nfs/dbraw/zinc/48/38/57/591483857.db2.gz FRERUFMSFXPLSJ-LBPRGKRZSA-N 3 2 327.270 1.892 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000896617045 591553249 /nfs/dbraw/zinc/55/32/49/591553249.db2.gz HUFDPJQVSXFCIM-BMFZPTHFSA-N 2 2 329.448 1.668 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CC[N@H+]1C ZINC000896617045 591553252 /nfs/dbraw/zinc/55/32/52/591553252.db2.gz HUFDPJQVSXFCIM-BMFZPTHFSA-N 2 2 329.448 1.668 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000897565189 591557066 /nfs/dbraw/zinc/55/70/66/591557066.db2.gz XCYFOFRCDKIZCO-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000897565189 591557069 /nfs/dbraw/zinc/55/70/69/591557069.db2.gz XCYFOFRCDKIZCO-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897565189 591557073 /nfs/dbraw/zinc/55/70/73/591557073.db2.gz XCYFOFRCDKIZCO-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897565189 591557077 /nfs/dbraw/zinc/55/70/77/591557077.db2.gz XCYFOFRCDKIZCO-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000898885670 591579399 /nfs/dbraw/zinc/57/93/99/591579399.db2.gz ZBZOJHFAWAYBAH-UKRRQHHQSA-N 2 2 336.823 1.526 20 0 EDADLP CCO[C@H](C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)C[NH+](C)C ZINC000896879763 591644848 /nfs/dbraw/zinc/64/48/48/591644848.db2.gz HDLYOSDTEAYIOU-FUHWJXTLSA-N 2 2 335.492 1.968 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[C@@H]1c1ccccc1 ZINC000896964611 591696501 /nfs/dbraw/zinc/69/65/01/591696501.db2.gz WBHNMJUPPMIAAE-FHWLQOOXSA-N 2 2 343.471 1.613 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)[C@@H]1c1ccccc1 ZINC000896964611 591696504 /nfs/dbraw/zinc/69/65/04/591696504.db2.gz WBHNMJUPPMIAAE-FHWLQOOXSA-N 2 2 343.471 1.613 20 0 EDADLP COC(=O)c1cc(C2C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)[nH]n1 ZINC000898008776 591745186 /nfs/dbraw/zinc/74/51/86/591745186.db2.gz ZUFMWWZJHVHRIH-UHFFFAOYSA-N 2 2 337.383 1.981 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH+]2CC(C3CS(=O)(=O)C3)C2)cc1 ZINC000895427216 591753138 /nfs/dbraw/zinc/75/31/38/591753138.db2.gz GNCQLPKSFMGWCH-UHFFFAOYSA-N 2 2 338.473 1.103 20 0 EDADLP CC[C@@H](C)[C@H](C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)OC ZINC000895550882 591798207 /nfs/dbraw/zinc/79/82/07/591798207.db2.gz LOIIJSOUBWIBTB-CVEARBPZSA-N 2 2 325.497 1.853 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000895550252 591803589 /nfs/dbraw/zinc/80/35/89/591803589.db2.gz CVFCQQGDDGBOSV-UHFFFAOYSA-N 2 2 341.459 1.869 20 0 EDADLP c1cc(N2CCOCC2)nc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)[nH+]1 ZINC000895567923 591808358 /nfs/dbraw/zinc/80/83/58/591808358.db2.gz SVGYOVSPWFEMLZ-KGLIPLIRSA-N 2 2 335.477 1.305 20 0 EDADLP c1cc(N2CCOCC2)nc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)[nH+]1 ZINC000895567923 591808360 /nfs/dbraw/zinc/80/83/60/591808360.db2.gz SVGYOVSPWFEMLZ-KGLIPLIRSA-N 2 2 335.477 1.305 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000898274759 591849167 /nfs/dbraw/zinc/84/91/67/591849167.db2.gz URWPWASANZXHRL-DZJNRPSUSA-N 2 2 334.508 1.985 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@@H]2CCC[C@@H]12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000898274759 591849169 /nfs/dbraw/zinc/84/91/69/591849169.db2.gz URWPWASANZXHRL-DZJNRPSUSA-N 2 2 334.508 1.985 20 0 EDADLP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000900003086 591861361 /nfs/dbraw/zinc/86/13/61/591861361.db2.gz BAJHFTLZRXVBHS-QZTJIDSGSA-N 2 2 328.460 1.743 20 0 EDADLP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000900003086 591861363 /nfs/dbraw/zinc/86/13/63/591861363.db2.gz BAJHFTLZRXVBHS-QZTJIDSGSA-N 2 2 328.460 1.743 20 0 EDADLP [NH3+][C@@H]1c2ccccc2C[C@H]1Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000900020151 591870240 /nfs/dbraw/zinc/87/02/40/591870240.db2.gz LZQUDRVTIUVNPK-VVFCZOMOSA-N 2 2 339.443 1.722 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332379 591875023 /nfs/dbraw/zinc/87/50/23/591875023.db2.gz MIHWGJSSINQIEW-WBVHZDCISA-N 2 2 342.443 1.449 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332379 591875024 /nfs/dbraw/zinc/87/50/24/591875024.db2.gz MIHWGJSSINQIEW-WBVHZDCISA-N 2 2 342.443 1.449 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3c[nH+]c[nH]3)cc2)CC1 ZINC000900191465 591935523 /nfs/dbraw/zinc/93/55/23/591935523.db2.gz AAEHIXVDQNVSRX-UHFFFAOYSA-N 2 2 327.432 1.728 20 0 EDADLP C/C(=C/C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)C[NH+]1CCOCC1 ZINC000900225243 591955361 /nfs/dbraw/zinc/95/53/61/591955361.db2.gz MHKATLJDANHLIM-KAMYIIQDSA-N 2 2 341.415 1.793 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000900293642 591978041 /nfs/dbraw/zinc/97/80/41/591978041.db2.gz OEXGPDKKPPUJAO-QGZVFWFLSA-N 2 2 332.379 1.797 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000900293642 591978043 /nfs/dbraw/zinc/97/80/43/591978043.db2.gz OEXGPDKKPPUJAO-QGZVFWFLSA-N 2 2 332.379 1.797 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000900306039 591982318 /nfs/dbraw/zinc/98/23/18/591982318.db2.gz NWSYFEZMEQEJEN-CQSZACIVSA-N 2 2 327.432 1.714 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000900306039 591982320 /nfs/dbraw/zinc/98/23/20/591982320.db2.gz NWSYFEZMEQEJEN-CQSZACIVSA-N 2 2 327.432 1.714 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CC[N@@H+]2CCC(C)(C)C2)CC[NH2+]CC1 ZINC000902454047 591999014 /nfs/dbraw/zinc/99/90/14/591999014.db2.gz FAJYLXDMPCLARF-HNNXBMFYSA-N 3 2 325.497 1.629 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CC[N@H+]2CCC(C)(C)C2)CC[NH2+]CC1 ZINC000902454047 591999016 /nfs/dbraw/zinc/99/90/16/591999016.db2.gz FAJYLXDMPCLARF-HNNXBMFYSA-N 3 2 325.497 1.629 20 0 EDADLP Cn1nc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000902458519 592000161 /nfs/dbraw/zinc/00/01/61/592000161.db2.gz YQCVPAGDAJZNFM-JHJVBQTASA-N 2 2 332.370 1.686 20 0 EDADLP Cc1cc(N2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)c2cc(F)ccc2[nH+]1 ZINC000900393697 592005849 /nfs/dbraw/zinc/00/58/49/592005849.db2.gz JEENTCMBPLVMQP-ZBFHGGJFSA-N 2 2 335.404 1.258 20 0 EDADLP CN(c1cccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1)S(C)(=O)=O ZINC000902515581 592008946 /nfs/dbraw/zinc/00/89/46/592008946.db2.gz WYJRVCSUZRPNHI-XSIBGMEISA-N 2 2 335.473 1.168 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000900437732 592018130 /nfs/dbraw/zinc/01/81/30/592018130.db2.gz XUKDTZRXUGTRPW-AEFFLSMTSA-N 2 2 349.500 1.629 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000900437732 592018134 /nfs/dbraw/zinc/01/81/34/592018134.db2.gz XUKDTZRXUGTRPW-AEFFLSMTSA-N 2 2 349.500 1.629 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)CCN2CC[NH+](C(C)C)CC2)c1C ZINC000900445625 592028515 /nfs/dbraw/zinc/02/85/15/592028515.db2.gz RLQZLCNYYBSCPO-UHFFFAOYSA-N 2 2 348.491 1.739 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(CCc3c(F)cccc3F)nn2)CC1 ZINC000900561888 592052909 /nfs/dbraw/zinc/05/29/09/592052909.db2.gz KRWPECLBMXUGOM-UHFFFAOYSA-N 2 2 335.402 1.983 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000900562281 592052934 /nfs/dbraw/zinc/05/29/34/592052934.db2.gz MHLZBVFSVPCAKX-JKSUJKDBSA-N 2 2 348.447 1.322 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000900562281 592052936 /nfs/dbraw/zinc/05/29/36/592052936.db2.gz MHLZBVFSVPCAKX-JKSUJKDBSA-N 2 2 348.447 1.322 20 0 EDADLP CO[C@H](Cc1ccccc1)Cn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1 ZINC000900569862 592054902 /nfs/dbraw/zinc/05/49/02/592054902.db2.gz QXUFWHLACNYVIN-LJQANCHMSA-N 2 2 343.475 1.720 20 0 EDADLP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000902785647 592059186 /nfs/dbraw/zinc/05/91/86/592059186.db2.gz HMIGNVCYRQIFQZ-BBWFWOEESA-N 2 2 325.497 1.866 20 0 EDADLP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000902785647 592059189 /nfs/dbraw/zinc/05/91/89/592059189.db2.gz HMIGNVCYRQIFQZ-BBWFWOEESA-N 2 2 325.497 1.866 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000900601126 592065748 /nfs/dbraw/zinc/06/57/48/592065748.db2.gz FHKAYGQMLREKKN-QGZVFWFLSA-N 2 2 339.443 1.952 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000900601126 592065751 /nfs/dbraw/zinc/06/57/51/592065751.db2.gz FHKAYGQMLREKKN-QGZVFWFLSA-N 2 2 339.443 1.952 20 0 EDADLP c1ccc([C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C2CC2)nc1 ZINC000903098193 592120473 /nfs/dbraw/zinc/12/04/73/592120473.db2.gz LYNRMNDNZOOMFJ-IEBWSBKVSA-N 2 2 330.476 1.529 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1Cc2ccccc2OCC1=O ZINC000903181156 592131894 /nfs/dbraw/zinc/13/18/94/592131894.db2.gz FRWPMOAQSLMEQA-PBHICJAKSA-N 2 2 329.444 1.480 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1Cc2ccccc2OCC1=O ZINC000903181156 592131898 /nfs/dbraw/zinc/13/18/98/592131898.db2.gz FRWPMOAQSLMEQA-PBHICJAKSA-N 2 2 329.444 1.480 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000903438479 592169804 /nfs/dbraw/zinc/16/98/04/592169804.db2.gz WILHEKALNHSLET-AOIWGVFYSA-N 2 2 342.487 1.265 20 0 EDADLP CCc1nn(C)c(Cl)c1C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903443636 592172154 /nfs/dbraw/zinc/17/21/54/592172154.db2.gz GEUMDNYOPFGDMQ-CYBMUJFWSA-N 2 2 325.888 1.506 20 0 EDADLP COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000903481257 592177055 /nfs/dbraw/zinc/17/70/55/592177055.db2.gz YBAZFSWBVSPQTF-ZJUUUORDSA-N 2 2 330.226 1.702 20 0 EDADLP [NH3+]Cc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000904334460 592233278 /nfs/dbraw/zinc/23/32/78/592233278.db2.gz WNTQJFFKSYKQLD-UHFFFAOYSA-N 3 2 326.448 1.220 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000901157515 592266401 /nfs/dbraw/zinc/26/64/01/592266401.db2.gz LULNQQUUGPFEMX-GJZGRUSLSA-N 2 2 348.447 1.152 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000901157515 592266404 /nfs/dbraw/zinc/26/64/04/592266404.db2.gz LULNQQUUGPFEMX-GJZGRUSLSA-N 2 2 348.447 1.152 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3ccc(N4CCCC4)nc3)C[C@H]2[NH3+])c1 ZINC000904494924 592266658 /nfs/dbraw/zinc/26/66/58/592266658.db2.gz LIWBGLPNKUBLHT-HZPDHXFCSA-N 2 2 326.448 1.342 20 0 EDADLP O=C(c1cccc(F)c1)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725047 592285015 /nfs/dbraw/zinc/28/50/15/592285015.db2.gz VLZGWMPQYPIPNH-MJGOQNOKSA-N 2 2 347.434 1.352 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)C[C@@H]21 ZINC000908074118 592307888 /nfs/dbraw/zinc/30/78/88/592307888.db2.gz QOFCGOSEFTUUBW-DLBZAZTESA-N 2 2 342.443 1.836 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)C[C@@H]21 ZINC000908074118 592307892 /nfs/dbraw/zinc/30/78/92/592307892.db2.gz QOFCGOSEFTUUBW-DLBZAZTESA-N 2 2 342.443 1.836 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903816226 592323888 /nfs/dbraw/zinc/32/38/88/592323888.db2.gz WPTUHWNVQPVWLK-OAHLLOKOSA-N 2 2 332.510 1.421 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903816226 592323893 /nfs/dbraw/zinc/32/38/93/592323893.db2.gz WPTUHWNVQPVWLK-OAHLLOKOSA-N 2 2 332.510 1.421 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000903797353 592326008 /nfs/dbraw/zinc/32/60/08/592326008.db2.gz GTQJLTGTOKFWDN-KDOFPFPSSA-N 2 2 330.432 1.928 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000903797353 592326012 /nfs/dbraw/zinc/32/60/12/592326012.db2.gz GTQJLTGTOKFWDN-KDOFPFPSSA-N 2 2 330.432 1.928 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000901297732 592328287 /nfs/dbraw/zinc/32/82/87/592328287.db2.gz BLDJJAKMKLQYCF-KGLIPLIRSA-N 2 2 334.420 1.348 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000901297732 592328293 /nfs/dbraw/zinc/32/82/93/592328293.db2.gz BLDJJAKMKLQYCF-KGLIPLIRSA-N 2 2 334.420 1.348 20 0 EDADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000903856952 592347884 /nfs/dbraw/zinc/34/78/84/592347884.db2.gz SWYNEJVCRHGCLG-BEFAXECRSA-N 2 2 346.450 1.288 20 0 EDADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000903856952 592347886 /nfs/dbraw/zinc/34/78/86/592347886.db2.gz SWYNEJVCRHGCLG-BEFAXECRSA-N 2 2 346.450 1.288 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(C[C@@H]([NH3+])CC(F)F)CC2)C1 ZINC000903890872 592352228 /nfs/dbraw/zinc/35/22/28/592352228.db2.gz HEPVQFZTJCLHLR-ILXRZTDVSA-N 2 2 346.466 1.281 20 0 EDADLP OC[C@H]1c2ccccc2CC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903895158 592368059 /nfs/dbraw/zinc/36/80/59/592368059.db2.gz KWBNIXBDNWHAJX-YJBOKZPZSA-N 2 2 327.432 1.294 20 0 EDADLP OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903895158 592368065 /nfs/dbraw/zinc/36/80/65/592368065.db2.gz KWBNIXBDNWHAJX-YJBOKZPZSA-N 2 2 327.432 1.294 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903898222 592368887 /nfs/dbraw/zinc/36/88/87/592368887.db2.gz MNMRHGXOYYXGEG-IBGZPJMESA-N 3 2 342.487 1.071 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903898222 592368892 /nfs/dbraw/zinc/36/88/92/592368892.db2.gz MNMRHGXOYYXGEG-IBGZPJMESA-N 3 2 342.487 1.071 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cnn1C ZINC000903909219 592373971 /nfs/dbraw/zinc/37/39/71/592373971.db2.gz RWSOWKVHLNSHHE-HNNXBMFYSA-N 2 2 347.507 1.179 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cnn1C ZINC000903909219 592373975 /nfs/dbraw/zinc/37/39/75/592373975.db2.gz RWSOWKVHLNSHHE-HNNXBMFYSA-N 2 2 347.507 1.179 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cnn1C ZINC000903908739 592374001 /nfs/dbraw/zinc/37/40/01/592374001.db2.gz PBSPICDEKZJPNA-CRAIPNDOSA-N 3 2 329.448 1.394 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cnn1C ZINC000903908739 592374005 /nfs/dbraw/zinc/37/40/05/592374005.db2.gz PBSPICDEKZJPNA-CRAIPNDOSA-N 3 2 329.448 1.394 20 0 EDADLP Fc1cccc(N2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903937088 592387715 /nfs/dbraw/zinc/38/77/15/592387715.db2.gz AZORRPFQDZCBPM-QGZVFWFLSA-N 2 2 344.438 1.664 20 0 EDADLP O[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903918026 592390609 /nfs/dbraw/zinc/39/06/09/592390609.db2.gz QOEXYDYFJKVFEB-NXHRZFHOSA-N 2 2 345.422 1.650 20 0 EDADLP O[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903918026 592390615 /nfs/dbraw/zinc/39/06/15/592390615.db2.gz QOEXYDYFJKVFEB-NXHRZFHOSA-N 2 2 345.422 1.650 20 0 EDADLP [NH3+]Cc1nc2c(s1)CC[N@H+](Cc1ccccc1-n1cncn1)C2 ZINC000903940714 592391613 /nfs/dbraw/zinc/39/16/13/592391613.db2.gz CEHCQSOHLPFPJP-UHFFFAOYSA-N 2 2 326.429 1.741 20 0 EDADLP [NH3+]Cc1nc2c(s1)CC[N@@H+](Cc1ccccc1-n1cncn1)C2 ZINC000903940714 592391615 /nfs/dbraw/zinc/39/16/15/592391615.db2.gz CEHCQSOHLPFPJP-UHFFFAOYSA-N 2 2 326.429 1.741 20 0 EDADLP CCn1cc(Cl)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000906907002 592397814 /nfs/dbraw/zinc/39/78/14/592397814.db2.gz NALPORRRBFHZML-UHFFFAOYSA-N 2 2 326.872 1.917 20 0 EDADLP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000905139297 592432544 /nfs/dbraw/zinc/43/25/44/592432544.db2.gz SYFNWCFTHDFLRD-XSDHEKCYSA-N 2 2 349.479 1.051 20 0 EDADLP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000905139297 592432548 /nfs/dbraw/zinc/43/25/48/592432548.db2.gz SYFNWCFTHDFLRD-XSDHEKCYSA-N 2 2 349.479 1.051 20 0 EDADLP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000905139295 592432754 /nfs/dbraw/zinc/43/27/54/592432754.db2.gz SYFNWCFTHDFLRD-JLOCXQCDSA-N 2 2 349.479 1.051 20 0 EDADLP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000905139295 592432758 /nfs/dbraw/zinc/43/27/58/592432758.db2.gz SYFNWCFTHDFLRD-JLOCXQCDSA-N 2 2 349.479 1.051 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904316750 592475606 /nfs/dbraw/zinc/47/56/06/592475606.db2.gz RQVNQWGHAMEPHJ-QFBILLFUSA-N 2 2 336.524 1.441 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904316750 592475609 /nfs/dbraw/zinc/47/56/09/592475609.db2.gz RQVNQWGHAMEPHJ-QFBILLFUSA-N 2 2 336.524 1.441 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)n1 ZINC000905534323 592554573 /nfs/dbraw/zinc/55/45/73/592554573.db2.gz XSTUCHZVHJABCY-JKSUJKDBSA-N 2 2 335.473 1.779 20 0 EDADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@@H](O)COCc2ccccc2F)c1 ZINC000905525823 592561415 /nfs/dbraw/zinc/56/14/15/592561415.db2.gz RDUDURGGNGCOBW-QGZVFWFLSA-N 2 2 333.407 1.954 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)sc2C1 ZINC000907320488 592602037 /nfs/dbraw/zinc/60/20/37/592602037.db2.gz KHSLAYXTUMURND-BZNIZROVSA-N 2 2 338.477 1.303 20 0 EDADLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@]3(C)C[C@@H](O)C[NH+]3C)sc2C1 ZINC000907320488 592602039 /nfs/dbraw/zinc/60/20/39/592602039.db2.gz KHSLAYXTUMURND-BZNIZROVSA-N 2 2 338.477 1.303 20 0 EDADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)sc2C1 ZINC000907320488 592602042 /nfs/dbraw/zinc/60/20/42/592602042.db2.gz KHSLAYXTUMURND-BZNIZROVSA-N 2 2 338.477 1.303 20 0 EDADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)sc2C1 ZINC000907320488 592602046 /nfs/dbraw/zinc/60/20/46/592602046.db2.gz KHSLAYXTUMURND-BZNIZROVSA-N 2 2 338.477 1.303 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000907373952 592615559 /nfs/dbraw/zinc/61/55/59/592615559.db2.gz QUVHCKBESJSGGG-GGPKGHCWSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000907373952 592615561 /nfs/dbraw/zinc/61/55/61/592615561.db2.gz QUVHCKBESJSGGG-GGPKGHCWSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000907373952 592615564 /nfs/dbraw/zinc/61/55/64/592615564.db2.gz QUVHCKBESJSGGG-GGPKGHCWSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000907373952 592615566 /nfs/dbraw/zinc/61/55/66/592615566.db2.gz QUVHCKBESJSGGG-GGPKGHCWSA-N 2 2 345.487 1.565 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@H](O)CCC3(O)CCC3)CC2)S1 ZINC000905946060 592696178 /nfs/dbraw/zinc/69/61/78/592696178.db2.gz OTRIGSJSCCDUDY-CQSZACIVSA-N 2 2 341.521 1.542 20 0 EDADLP C[C@H](CNC(=O)c1cccn1CC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000906317773 592779599 /nfs/dbraw/zinc/77/95/99/592779599.db2.gz DPYXQVMXAXNXDN-QGZVFWFLSA-N 2 2 348.491 1.282 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000907777938 592790792 /nfs/dbraw/zinc/79/07/92/592790792.db2.gz IXTARUQWZNQZFK-AWEZNQCLSA-N 2 2 330.436 1.198 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906522615 592840071 /nfs/dbraw/zinc/84/00/71/592840071.db2.gz JHTIFEIIWUVUNF-INIZCTEOSA-N 2 2 336.480 1.280 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906522615 592840075 /nfs/dbraw/zinc/84/00/75/592840075.db2.gz JHTIFEIIWUVUNF-INIZCTEOSA-N 2 2 336.480 1.280 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+]([C@@H]3C[C@@H]3c3cccc(F)c3)CCO2)CC1 ZINC000906589512 592852601 /nfs/dbraw/zinc/85/26/01/592852601.db2.gz CXKMFNBDUVBGLE-GUDVDZBRSA-N 2 2 333.451 1.630 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+]([C@@H]3C[C@@H]3c3cccc(F)c3)CCO2)CC1 ZINC000906589512 592852605 /nfs/dbraw/zinc/85/26/05/592852605.db2.gz CXKMFNBDUVBGLE-GUDVDZBRSA-N 2 2 333.451 1.630 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000910839668 592895487 /nfs/dbraw/zinc/89/54/87/592895487.db2.gz DZMFWDCCXWWYAW-LSDHHAIUSA-N 2 2 347.463 1.026 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cn1 ZINC000911843760 593022280 /nfs/dbraw/zinc/02/22/80/593022280.db2.gz NJMPZBGDPMTHLZ-IAGOWNOFSA-N 2 2 346.475 1.372 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cccc(Nc3nccs3)c2)[C@H](C[NH3+])C1 ZINC000911879625 593029846 /nfs/dbraw/zinc/02/98/46/593029846.db2.gz ORCNURPYZARZBX-CQSZACIVSA-N 2 2 331.445 1.602 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cccc(Nc3nccs3)c2)[C@H](C[NH3+])C1 ZINC000911879625 593029848 /nfs/dbraw/zinc/02/98/48/593029848.db2.gz ORCNURPYZARZBX-CQSZACIVSA-N 2 2 331.445 1.602 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000912136879 593065078 /nfs/dbraw/zinc/06/50/78/593065078.db2.gz XOPYUUFQZLWEPX-AEGPPILISA-N 2 2 348.834 1.643 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@@H]1c1ccccc1 ZINC000912385671 593090054 /nfs/dbraw/zinc/09/00/54/593090054.db2.gz LAOGEHAROWHKQK-WMZOPIPTSA-N 2 2 328.416 1.530 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@@H]1c1ccccc1 ZINC000912385671 593090055 /nfs/dbraw/zinc/09/00/55/593090055.db2.gz LAOGEHAROWHKQK-WMZOPIPTSA-N 2 2 328.416 1.530 20 0 EDADLP C[C@@]1(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[NH+]2CCC1CC2 ZINC000912377464 593091552 /nfs/dbraw/zinc/09/15/52/593091552.db2.gz NPKFMDPZPWQJMA-LJQANCHMSA-N 2 2 344.459 1.128 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000103150510 593197691 /nfs/dbraw/zinc/19/76/91/593197691.db2.gz LGJNDAGBSUKMPW-KRWDZBQOSA-N 2 2 335.423 1.099 20 0 EDADLP CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000808174692 593234157 /nfs/dbraw/zinc/23/41/57/593234157.db2.gz NMLWMJDHUHTTNQ-ZIFCJYIRSA-N 2 2 336.524 1.550 20 0 EDADLP CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000808174692 593234158 /nfs/dbraw/zinc/23/41/58/593234158.db2.gz NMLWMJDHUHTTNQ-ZIFCJYIRSA-N 2 2 336.524 1.550 20 0 EDADLP O=C1N(C[NH+]2CCC(n3cc[nH+]c3)CC2)[C@H](C2CC2)[C@]12CCCO2 ZINC000840005655 593341416 /nfs/dbraw/zinc/34/14/16/593341416.db2.gz ZAHOTJPXOJBOIL-SJLPKXTDSA-N 2 2 330.432 1.648 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809601697 593349362 /nfs/dbraw/zinc/34/93/62/593349362.db2.gz BLFWOIAACUCCJF-UYSNPLJNSA-N 2 2 341.496 1.989 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809601697 593349364 /nfs/dbraw/zinc/34/93/64/593349364.db2.gz BLFWOIAACUCCJF-UYSNPLJNSA-N 2 2 341.496 1.989 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000840029993 593394501 /nfs/dbraw/zinc/39/45/01/593394501.db2.gz HJYGVPXXLZRJQL-VXIBKDFQSA-N 2 2 333.476 1.530 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000840029993 593394503 /nfs/dbraw/zinc/39/45/03/593394503.db2.gz HJYGVPXXLZRJQL-VXIBKDFQSA-N 2 2 333.476 1.530 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000840029993 593394505 /nfs/dbraw/zinc/39/45/05/593394505.db2.gz HJYGVPXXLZRJQL-VXIBKDFQSA-N 2 2 333.476 1.530 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000840029993 593394507 /nfs/dbraw/zinc/39/45/07/593394507.db2.gz HJYGVPXXLZRJQL-VXIBKDFQSA-N 2 2 333.476 1.530 20 0 EDADLP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1CC=CCC1 ZINC000840044151 593408503 /nfs/dbraw/zinc/40/85/03/593408503.db2.gz YCWRRWMMICSSED-CALCHBBNSA-N 2 2 325.412 1.323 20 0 EDADLP O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1C[NH+]1CC=CCC1 ZINC000840044151 593408504 /nfs/dbraw/zinc/40/85/04/593408504.db2.gz YCWRRWMMICSSED-CALCHBBNSA-N 2 2 325.412 1.323 20 0 EDADLP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[N@H+]1CC=CCC1 ZINC000840044151 593408505 /nfs/dbraw/zinc/40/85/05/593408505.db2.gz YCWRRWMMICSSED-CALCHBBNSA-N 2 2 325.412 1.323 20 0 EDADLP O=C1[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C(=O)N1C[N@@H+]1CC=CCC1 ZINC000840044151 593408506 /nfs/dbraw/zinc/40/85/06/593408506.db2.gz YCWRRWMMICSSED-CALCHBBNSA-N 2 2 325.412 1.323 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000812486783 593502653 /nfs/dbraw/zinc/50/26/53/593502653.db2.gz HZNYSHSOANUVLF-UHFFFAOYSA-N 2 2 329.448 1.736 20 0 EDADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000813326349 593526695 /nfs/dbraw/zinc/52/66/95/593526695.db2.gz STCRLJDWVUSUDN-BVBHFADKSA-N 2 2 345.487 1.516 20 0 EDADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000813326349 593526696 /nfs/dbraw/zinc/52/66/96/593526696.db2.gz STCRLJDWVUSUDN-BVBHFADKSA-N 2 2 345.487 1.516 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000813329265 593526936 /nfs/dbraw/zinc/52/69/36/593526936.db2.gz ZXSAEPUYZYGKGV-HOCLYGCPSA-N 2 2 327.432 1.392 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000813329265 593526937 /nfs/dbraw/zinc/52/69/37/593526937.db2.gz ZXSAEPUYZYGKGV-HOCLYGCPSA-N 2 2 327.432 1.392 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000813368480 593529871 /nfs/dbraw/zinc/52/98/71/593529871.db2.gz KMXVNEKIAGUZEM-CRAIPNDOSA-N 2 2 341.471 1.522 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000813368480 593529873 /nfs/dbraw/zinc/52/98/73/593529873.db2.gz KMXVNEKIAGUZEM-CRAIPNDOSA-N 2 2 341.471 1.522 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000814417421 593586574 /nfs/dbraw/zinc/58/65/74/593586574.db2.gz TVDXVHRCVKLGAB-MRXNPFEDSA-N 2 2 348.447 1.533 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C=O)n3C)CC2)CC1 ZINC000817657424 593620469 /nfs/dbraw/zinc/62/04/69/593620469.db2.gz YRNICOFUTIZBMR-UHFFFAOYSA-N 2 2 346.475 1.470 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C=O)n3C)CC2)CC1 ZINC000817657424 593620470 /nfs/dbraw/zinc/62/04/70/593620470.db2.gz YRNICOFUTIZBMR-UHFFFAOYSA-N 2 2 346.475 1.470 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000817901794 593646946 /nfs/dbraw/zinc/64/69/46/593646946.db2.gz XLOWBKOCGFRQKF-KBAYOESNSA-N 2 2 336.432 1.094 20 0 EDADLP CN(C[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000818165926 593676868 /nfs/dbraw/zinc/67/68/68/593676868.db2.gz CVIKRHMKFBTLHV-GJZGRUSLSA-N 2 2 338.452 1.748 20 0 EDADLP CN(C[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000818165926 593676870 /nfs/dbraw/zinc/67/68/70/593676870.db2.gz CVIKRHMKFBTLHV-GJZGRUSLSA-N 2 2 338.452 1.748 20 0 EDADLP O[C@H](C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000818964920 593730677 /nfs/dbraw/zinc/73/06/77/593730677.db2.gz LGGJYOZRKXRBPS-HXUWFJFHSA-N 2 2 331.504 1.945 20 0 EDADLP O[C@H](C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000818990008 593732752 /nfs/dbraw/zinc/73/27/52/593732752.db2.gz WHEFGFIBDGICRL-HXUWFJFHSA-N 3 2 340.471 1.917 20 0 EDADLP [NH3+]CC1(Cc2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC1 ZINC000822951276 594127505 /nfs/dbraw/zinc/12/75/05/594127505.db2.gz OTWNTANWMBITTP-OAHLLOKOSA-N 2 2 328.416 1.925 20 0 EDADLP [NH3+]CC1(Cc2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC1 ZINC000822951276 594127507 /nfs/dbraw/zinc/12/75/07/594127507.db2.gz OTWNTANWMBITTP-OAHLLOKOSA-N 2 2 328.416 1.925 20 0 EDADLP CO[C@@H](C[NH3+])Cc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000822951411 594127652 /nfs/dbraw/zinc/12/76/52/594127652.db2.gz SBVPIWHMQCEVQW-HUUCEWRRSA-N 2 2 332.404 1.159 20 0 EDADLP CO[C@@H](C[NH3+])Cc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000822951411 594127653 /nfs/dbraw/zinc/12/76/53/594127653.db2.gz SBVPIWHMQCEVQW-HUUCEWRRSA-N 2 2 332.404 1.159 20 0 EDADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000825392142 594177577 /nfs/dbraw/zinc/17/75/77/594177577.db2.gz KYVFMRZLHXULPC-UHFFFAOYSA-N 2 2 325.453 1.005 20 0 EDADLP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000827626726 594247337 /nfs/dbraw/zinc/24/73/37/594247337.db2.gz ZRTRZJRHQSGHCN-INIZCTEOSA-N 2 2 334.464 1.177 20 0 EDADLP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000827626726 594247340 /nfs/dbraw/zinc/24/73/40/594247340.db2.gz ZRTRZJRHQSGHCN-INIZCTEOSA-N 2 2 334.464 1.177 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826029550 594310234 /nfs/dbraw/zinc/31/02/34/594310234.db2.gz SZOWVWODMDISPI-OAHLLOKOSA-N 2 2 338.419 1.061 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826029550 594310237 /nfs/dbraw/zinc/31/02/37/594310237.db2.gz SZOWVWODMDISPI-OAHLLOKOSA-N 2 2 338.419 1.061 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC000826159847 594354817 /nfs/dbraw/zinc/35/48/17/594354817.db2.gz VADSKUFXZBNZGW-GFCCVEGCSA-N 2 2 348.426 1.767 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000826522320 594517046 /nfs/dbraw/zinc/51/70/46/594517046.db2.gz VURUDFFSBBPFCY-LBPRGKRZSA-N 2 2 325.376 1.789 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000826522320 594517049 /nfs/dbraw/zinc/51/70/49/594517049.db2.gz VURUDFFSBBPFCY-LBPRGKRZSA-N 2 2 325.376 1.789 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1c[nH+]cn1C ZINC000826660078 594548675 /nfs/dbraw/zinc/54/86/75/594548675.db2.gz IPSUAUZTRSIQKK-FUHWJXTLSA-N 2 2 347.507 1.936 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1c[nH+]cn1C ZINC000826660078 594548676 /nfs/dbraw/zinc/54/86/76/594548676.db2.gz IPSUAUZTRSIQKK-FUHWJXTLSA-N 2 2 347.507 1.936 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@]2(O)CCc3ccccc32)CC1 ZINC000829317972 594596938 /nfs/dbraw/zinc/59/69/38/594596938.db2.gz BOQHYYCOBGSLPN-OXQOHEQNSA-N 2 2 345.487 1.305 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@]2(O)CCc3ccccc32)CC1 ZINC000829317972 594596941 /nfs/dbraw/zinc/59/69/41/594596941.db2.gz BOQHYYCOBGSLPN-OXQOHEQNSA-N 2 2 345.487 1.305 20 0 EDADLP O=C(CC[NH+]1CCOCC1)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000833064305 594795414 /nfs/dbraw/zinc/79/54/14/594795414.db2.gz YGQMUEPFCQBNTK-UHFFFAOYSA-N 2 2 348.834 1.864 20 0 EDADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000841100068 594850740 /nfs/dbraw/zinc/85/07/40/594850740.db2.gz SQXVGUBYZANABW-MOPGFXCFSA-N 2 2 341.459 1.986 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)c(N(C)C)[nH+]1 ZINC000841169648 594862468 /nfs/dbraw/zinc/86/24/68/594862468.db2.gz XHAIFOSTVVKBEV-CQSZACIVSA-N 2 2 341.415 1.211 20 0 EDADLP [NH3+]CCOc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000841280641 594880519 /nfs/dbraw/zinc/88/05/19/594880519.db2.gz AAAGJSQZIFMOGV-INIZCTEOSA-N 2 2 348.447 1.353 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)S1 ZINC000841938406 594985919 /nfs/dbraw/zinc/98/59/19/594985919.db2.gz MGGAIUPKLMCKQC-ZDUSSCGKSA-N 2 2 339.509 1.195 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)CC[NH2+]1 ZINC000841989244 594996268 /nfs/dbraw/zinc/99/62/68/594996268.db2.gz ZPIJWYHBENQJAX-QWHCGFSZSA-N 2 2 339.509 1.336 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)c1C ZINC000842148428 595023489 /nfs/dbraw/zinc/02/34/89/595023489.db2.gz NNNUNJIIICOYGP-UHFFFAOYSA-N 2 2 348.447 1.101 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3noc(C[C@H]4C[NH2+]CCO4)n3)C2)cc1 ZINC000843204346 595032968 /nfs/dbraw/zinc/03/29/68/595032968.db2.gz FNGPVPFGMSSNHB-JKSUJKDBSA-N 2 2 344.415 1.174 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3noc(C[C@H]4C[NH2+]CCO4)n3)C2)cc1 ZINC000843204346 595032972 /nfs/dbraw/zinc/03/29/72/595032972.db2.gz FNGPVPFGMSSNHB-JKSUJKDBSA-N 2 2 344.415 1.174 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843354598 595084197 /nfs/dbraw/zinc/08/41/97/595084197.db2.gz LOOXLZJMGAEVAI-AAEUAGOBSA-N 2 2 333.436 1.901 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843354598 595084201 /nfs/dbraw/zinc/08/42/01/595084201.db2.gz LOOXLZJMGAEVAI-AAEUAGOBSA-N 2 2 333.436 1.901 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CCC1 ZINC000843367660 595089639 /nfs/dbraw/zinc/08/96/39/595089639.db2.gz HULRAJOQSKVDMO-UHFFFAOYSA-N 2 2 347.387 1.092 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)C1 ZINC000842619045 595144834 /nfs/dbraw/zinc/14/48/34/595144834.db2.gz TZARMCNWFSXPRW-XHSDSOJGSA-N 2 2 332.448 1.585 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)C1 ZINC000842619045 595144839 /nfs/dbraw/zinc/14/48/39/595144839.db2.gz TZARMCNWFSXPRW-XHSDSOJGSA-N 2 2 332.448 1.585 20 0 EDADLP C[C@@H]1CC2(C[N@@H+]1CN1C[C@@H](c3c[nH+]cn3C)CC1=O)CCOCC2 ZINC000842637934 595153003 /nfs/dbraw/zinc/15/30/03/595153003.db2.gz HBJGZBYBUHLXJJ-CABCVRRESA-N 2 2 332.448 1.585 20 0 EDADLP C[C@@H]1CC2(C[N@H+]1CN1C[C@@H](c3c[nH+]cn3C)CC1=O)CCOCC2 ZINC000842637934 595153004 /nfs/dbraw/zinc/15/30/04/595153004.db2.gz HBJGZBYBUHLXJJ-CABCVRRESA-N 2 2 332.448 1.585 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000843091407 595285196 /nfs/dbraw/zinc/28/51/96/595285196.db2.gz COZUCGHMGWPDGW-WMLDXEAASA-N 2 2 338.448 1.174 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000843091407 595285198 /nfs/dbraw/zinc/28/51/98/595285198.db2.gz COZUCGHMGWPDGW-WMLDXEAASA-N 2 2 338.448 1.174 20 0 EDADLP C[C@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000844168100 595289148 /nfs/dbraw/zinc/28/91/48/595289148.db2.gz LGUFXADGAQKSQI-GDBMZVCRSA-N 2 2 327.432 1.909 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[NH+]3CCC([NH3+])CC3)cc2)C[C@@H](C)O1 ZINC000844178592 595293710 /nfs/dbraw/zinc/29/37/10/595293710.db2.gz CKBBNXFPVWPBIF-HUUCEWRRSA-N 2 2 346.475 1.662 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)C1(C)C ZINC000844187130 595296518 /nfs/dbraw/zinc/29/65/18/595296518.db2.gz BOJQEAGRJIPPKA-SUMWQHHRSA-N 2 2 347.450 1.707 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)C1(C)C ZINC000844187130 595296519 /nfs/dbraw/zinc/29/65/19/595296519.db2.gz BOJQEAGRJIPPKA-SUMWQHHRSA-N 2 2 347.450 1.707 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000846673866 595298474 /nfs/dbraw/zinc/29/84/74/595298474.db2.gz XPEQQIODKSLHKT-CQSZACIVSA-N 2 2 338.415 1.638 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)nn1 ZINC000844227546 595310075 /nfs/dbraw/zinc/31/00/75/595310075.db2.gz YOXDCOVGZMDCLL-INIZCTEOSA-N 3 2 338.419 1.155 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)nn1 ZINC000844227546 595310076 /nfs/dbraw/zinc/31/00/76/595310076.db2.gz YOXDCOVGZMDCLL-INIZCTEOSA-N 3 2 338.419 1.155 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000847293895 595389269 /nfs/dbraw/zinc/38/92/69/595389269.db2.gz KQOLVIJSGNYKTQ-AWEZNQCLSA-N 2 2 327.432 1.979 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000847293895 595389272 /nfs/dbraw/zinc/38/92/72/595389272.db2.gz KQOLVIJSGNYKTQ-AWEZNQCLSA-N 2 2 327.432 1.979 20 0 EDADLP Cn1c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnc1Cl ZINC000848543638 595404204 /nfs/dbraw/zinc/40/42/04/595404204.db2.gz VHQSMNDVJFKERZ-CABCVRRESA-N 2 2 326.872 1.931 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N=c3sccn3C)CC2)CC1 ZINC000847413811 595414400 /nfs/dbraw/zinc/41/44/00/595414400.db2.gz ATOXTZMWZHNUKT-UHFFFAOYSA-N 2 2 336.505 1.710 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000847567711 595449899 /nfs/dbraw/zinc/44/98/99/595449899.db2.gz QBRIBNSXHGQPLP-SFHVURJKSA-N 2 2 331.460 1.337 20 0 EDADLP CN1CCC[NH+]=C1NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000849111970 595483920 /nfs/dbraw/zinc/48/39/20/595483920.db2.gz NYKPASMOMYZWFW-UHFFFAOYSA-N 2 2 335.883 1.743 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000108459029 595504357 /nfs/dbraw/zinc/50/43/57/595504357.db2.gz CGWBEYYGWCOWET-KRWDZBQOSA-N 2 2 331.460 1.612 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000108459029 595504359 /nfs/dbraw/zinc/50/43/59/595504359.db2.gz CGWBEYYGWCOWET-KRWDZBQOSA-N 2 2 331.460 1.612 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1O ZINC000849370722 595514398 /nfs/dbraw/zinc/51/43/98/595514398.db2.gz CEPAKXNFYXBWRS-UHFFFAOYSA-N 2 2 341.477 1.039 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1O ZINC000849370722 595514400 /nfs/dbraw/zinc/51/44/00/595514400.db2.gz CEPAKXNFYXBWRS-UHFFFAOYSA-N 2 2 341.477 1.039 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(N(C)C)[nH+]1 ZINC000850551647 595534009 /nfs/dbraw/zinc/53/40/09/595534009.db2.gz UVGLHLKJKZGWER-ZDUSSCGKSA-N 2 2 347.463 1.384 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c(N(C)C)[nH+]1 ZINC000850551647 595534014 /nfs/dbraw/zinc/53/40/14/595534014.db2.gz UVGLHLKJKZGWER-ZDUSSCGKSA-N 2 2 347.463 1.384 20 0 EDADLP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857985280 595677003 /nfs/dbraw/zinc/67/70/03/595677003.db2.gz OITYIDWVVGARAN-KRWDZBQOSA-N 2 2 339.443 1.656 20 0 EDADLP COc1ccc(/C=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1O ZINC000855414498 595704700 /nfs/dbraw/zinc/70/47/00/595704700.db2.gz DZCAVVYAWJUUNT-VQHVLOKHSA-N 2 2 335.448 1.414 20 0 EDADLP COc1ccc(/C=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1O ZINC000855414498 595704704 /nfs/dbraw/zinc/70/47/04/595704704.db2.gz DZCAVVYAWJUUNT-VQHVLOKHSA-N 2 2 335.448 1.414 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1coc(Br)c1 ZINC000855416635 595705417 /nfs/dbraw/zinc/70/54/17/595705417.db2.gz PSRFKUVPDUCPLW-UHFFFAOYSA-N 2 2 332.242 1.655 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1coc(Br)c1 ZINC000855416635 595705419 /nfs/dbraw/zinc/70/54/19/595705419.db2.gz PSRFKUVPDUCPLW-UHFFFAOYSA-N 2 2 332.242 1.655 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1ccc2c(c1)CCC2 ZINC000855416708 595705703 /nfs/dbraw/zinc/70/57/03/595705703.db2.gz QHYUKJKCEPMWKK-UHFFFAOYSA-N 2 2 333.476 1.554 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1ccc2c(c1)CCC2 ZINC000855416708 595705706 /nfs/dbraw/zinc/70/57/06/595705706.db2.gz QHYUKJKCEPMWKK-UHFFFAOYSA-N 2 2 333.476 1.554 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000853604342 595826815 /nfs/dbraw/zinc/82/68/15/595826815.db2.gz CGLYBXKZJHPXMA-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000853604342 595826819 /nfs/dbraw/zinc/82/68/19/595826819.db2.gz CGLYBXKZJHPXMA-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000853604342 595826821 /nfs/dbraw/zinc/82/68/21/595826821.db2.gz CGLYBXKZJHPXMA-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000853604342 595826823 /nfs/dbraw/zinc/82/68/23/595826823.db2.gz CGLYBXKZJHPXMA-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1nonc1CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000853686360 595855074 /nfs/dbraw/zinc/85/50/74/595855074.db2.gz YJKXMHQLMSXVAN-HNNXBMFYSA-N 2 2 331.376 1.277 20 0 EDADLP Cc1nonc1CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000853686360 595855078 /nfs/dbraw/zinc/85/50/78/595855078.db2.gz YJKXMHQLMSXVAN-HNNXBMFYSA-N 2 2 331.376 1.277 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000851662677 595873501 /nfs/dbraw/zinc/87/35/01/595873501.db2.gz ZHWPCKFRXOKVDC-XHSDSOJGSA-N 2 2 343.406 1.912 20 0 EDADLP CNC(=O)c1ccc(C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2CC2)cc1 ZINC000851709796 595892767 /nfs/dbraw/zinc/89/27/67/595892767.db2.gz ABWDDWTUXOIJPF-GOSISDBHSA-N 2 2 333.476 1.712 20 0 EDADLP CNC(=O)c1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2CC2)cc1 ZINC000851709796 595892770 /nfs/dbraw/zinc/89/27/70/595892770.db2.gz ABWDDWTUXOIJPF-GOSISDBHSA-N 2 2 333.476 1.712 20 0 EDADLP CNC(=O)c1ccc(C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2CC2)cc1 ZINC000851709796 595892772 /nfs/dbraw/zinc/89/27/72/595892772.db2.gz ABWDDWTUXOIJPF-GOSISDBHSA-N 2 2 333.476 1.712 20 0 EDADLP CNC(=O)c1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2CC2)cc1 ZINC000851709796 595892774 /nfs/dbraw/zinc/89/27/74/595892774.db2.gz ABWDDWTUXOIJPF-GOSISDBHSA-N 2 2 333.476 1.712 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000114073146 595938793 /nfs/dbraw/zinc/93/87/93/595938793.db2.gz NMACQJZVQMPMAL-GDBMZVCRSA-N 2 2 328.416 1.729 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000114073146 595938794 /nfs/dbraw/zinc/93/87/94/595938794.db2.gz NMACQJZVQMPMAL-GDBMZVCRSA-N 2 2 328.416 1.729 20 0 EDADLP COCCOCCOCCC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000851851617 595947685 /nfs/dbraw/zinc/94/76/85/595947685.db2.gz QZTRTUDWPNCJCE-HNNXBMFYSA-N 2 2 345.509 1.165 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000851898120 595967280 /nfs/dbraw/zinc/96/72/80/595967280.db2.gz NOMKXYGWHSLOEZ-WMLDXEAASA-N 2 2 335.448 1.995 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000851898120 595967282 /nfs/dbraw/zinc/96/72/82/595967282.db2.gz NOMKXYGWHSLOEZ-WMLDXEAASA-N 2 2 335.448 1.995 20 0 EDADLP CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000852048006 596023222 /nfs/dbraw/zinc/02/32/22/596023222.db2.gz MQHQYPRISLSQMJ-HOTGVXAUSA-N 2 2 329.485 1.630 20 0 EDADLP CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000852048006 596023226 /nfs/dbraw/zinc/02/32/26/596023226.db2.gz MQHQYPRISLSQMJ-HOTGVXAUSA-N 2 2 329.485 1.630 20 0 EDADLP CCN(C)C(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000852048006 596023232 /nfs/dbraw/zinc/02/32/32/596023232.db2.gz MQHQYPRISLSQMJ-HOTGVXAUSA-N 2 2 329.485 1.630 20 0 EDADLP CCN(C)C(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000852048006 596023236 /nfs/dbraw/zinc/02/32/36/596023236.db2.gz MQHQYPRISLSQMJ-HOTGVXAUSA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585898 596024162 /nfs/dbraw/zinc/02/41/62/596024162.db2.gz NANKRSNHNBJKNP-ZWKOTPCHSA-N 2 2 347.459 1.938 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585898 596024163 /nfs/dbraw/zinc/02/41/63/596024163.db2.gz NANKRSNHNBJKNP-ZWKOTPCHSA-N 2 2 347.459 1.938 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585898 596024166 /nfs/dbraw/zinc/02/41/66/596024166.db2.gz NANKRSNHNBJKNP-ZWKOTPCHSA-N 2 2 347.459 1.938 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585898 596024170 /nfs/dbraw/zinc/02/41/70/596024170.db2.gz NANKRSNHNBJKNP-ZWKOTPCHSA-N 2 2 347.459 1.938 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N(C)C[C@H](C)[NH3+])cc1 ZINC000861549026 596025730 /nfs/dbraw/zinc/02/57/30/596025730.db2.gz DLMDZQVPDHJPFC-DOTOQJQBSA-N 2 2 334.464 1.357 20 0 EDADLP Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Cl)n1 ZINC000856776492 596079963 /nfs/dbraw/zinc/07/99/63/596079963.db2.gz SZQOMBYNFMXGPC-MRXNPFEDSA-N 2 2 334.851 1.930 20 0 EDADLP Cn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Cl)n1 ZINC000856776492 596079967 /nfs/dbraw/zinc/07/99/67/596079967.db2.gz SZQOMBYNFMXGPC-MRXNPFEDSA-N 2 2 334.851 1.930 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815200 596091606 /nfs/dbraw/zinc/09/16/06/596091606.db2.gz IZDLKNUESPVHSD-RVKKMQEKSA-N 2 2 341.496 1.678 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815200 596091610 /nfs/dbraw/zinc/09/16/10/596091610.db2.gz IZDLKNUESPVHSD-RVKKMQEKSA-N 2 2 341.496 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815200 596091614 /nfs/dbraw/zinc/09/16/14/596091614.db2.gz IZDLKNUESPVHSD-RVKKMQEKSA-N 2 2 341.496 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815200 596091615 /nfs/dbraw/zinc/09/16/15/596091615.db2.gz IZDLKNUESPVHSD-RVKKMQEKSA-N 2 2 341.496 1.678 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857101451 596158037 /nfs/dbraw/zinc/15/80/37/596158037.db2.gz XYCQIHDBMQKLEO-IBGZPJMESA-N 2 2 345.487 1.900 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857101451 596158038 /nfs/dbraw/zinc/15/80/38/596158038.db2.gz XYCQIHDBMQKLEO-IBGZPJMESA-N 2 2 345.487 1.900 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000866575240 596256067 /nfs/dbraw/zinc/25/60/67/596256067.db2.gz LTMMDQYNQUOGRV-KBXCAEBGSA-N 2 2 328.460 1.784 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000866575240 596256071 /nfs/dbraw/zinc/25/60/71/596256071.db2.gz LTMMDQYNQUOGRV-KBXCAEBGSA-N 2 2 328.460 1.784 20 0 EDADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866582185 596259211 /nfs/dbraw/zinc/25/92/11/596259211.db2.gz HPOIXFSOVPJTNB-OAHLLOKOSA-N 2 2 336.461 1.875 20 0 EDADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000866666793 596285496 /nfs/dbraw/zinc/28/54/96/596285496.db2.gz WZTCQUQDBIEIFD-RBUKOAKNSA-N 2 2 344.503 1.716 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1CC(=O)NCCc1c(F)cccc1F ZINC000866698772 596298921 /nfs/dbraw/zinc/29/89/21/596298921.db2.gz DPUOLXYJLQMPSZ-UHFFFAOYSA-N 2 2 325.403 1.697 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1CC(=O)NCCc1c(F)cccc1F ZINC000866698772 596298923 /nfs/dbraw/zinc/29/89/23/596298923.db2.gz DPUOLXYJLQMPSZ-UHFFFAOYSA-N 2 2 325.403 1.697 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862327174 596302039 /nfs/dbraw/zinc/30/20/39/596302039.db2.gz AUXHSORFRXQHQX-CQSZACIVSA-N 2 2 345.484 1.262 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862327174 596302037 /nfs/dbraw/zinc/30/20/37/596302037.db2.gz AUXHSORFRXQHQX-CQSZACIVSA-N 2 2 345.484 1.262 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862535992 596342241 /nfs/dbraw/zinc/34/22/41/596342241.db2.gz CJTYVKYEHYOXBB-QLFBSQMISA-N 2 2 327.469 1.695 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862535992 596342243 /nfs/dbraw/zinc/34/22/43/596342243.db2.gz CJTYVKYEHYOXBB-QLFBSQMISA-N 2 2 327.469 1.695 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2CCC3(CC2)OCCO3)CC[N@@H+]1C ZINC000123380469 596392465 /nfs/dbraw/zinc/39/24/65/596392465.db2.gz GPWWPNRPKGPDEX-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2CCC3(CC2)OCCO3)CC[N@H+]1C ZINC000123380469 596392469 /nfs/dbraw/zinc/39/24/69/596392469.db2.gz GPWWPNRPKGPDEX-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2CCC3(CC2)OCCO3)CC[NH+]1C ZINC000123380469 596392473 /nfs/dbraw/zinc/39/24/73/596392473.db2.gz GPWWPNRPKGPDEX-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC2CCC3(CC2)OCCO3)CC[NH+]1C ZINC000123380469 596392477 /nfs/dbraw/zinc/39/24/77/596392477.db2.gz GPWWPNRPKGPDEX-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000869107716 596412236 /nfs/dbraw/zinc/41/22/36/596412236.db2.gz IGKRMQSDRQLQTI-SJLPKXTDSA-N 2 2 344.459 1.289 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000869107716 596412240 /nfs/dbraw/zinc/41/22/40/596412240.db2.gz IGKRMQSDRQLQTI-SJLPKXTDSA-N 2 2 344.459 1.289 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C[C@H]1c1ccccc1 ZINC000870943195 596414205 /nfs/dbraw/zinc/41/42/05/596414205.db2.gz GTMOHZOPBUPYQZ-DLBZAZTESA-N 2 2 338.386 1.969 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000121668250 596416472 /nfs/dbraw/zinc/41/64/72/596416472.db2.gz HLUGIWUJMBNRHU-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000121668250 596416473 /nfs/dbraw/zinc/41/64/73/596416473.db2.gz HLUGIWUJMBNRHU-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000870979176 596427089 /nfs/dbraw/zinc/42/70/89/596427089.db2.gz HOYFNQNOHADFNZ-WMZOPIPTSA-N 2 2 339.443 1.724 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000870979176 596427092 /nfs/dbraw/zinc/42/70/92/596427092.db2.gz HOYFNQNOHADFNZ-WMZOPIPTSA-N 2 2 339.443 1.724 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871219992 596501796 /nfs/dbraw/zinc/50/17/96/596501796.db2.gz KVLRDYJITIZSNZ-UHFFFAOYSA-N 2 2 342.447 1.149 20 0 EDADLP CC(C)[NH+]1CCC(CCN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)CC1 ZINC000865317669 596537311 /nfs/dbraw/zinc/53/73/11/596537311.db2.gz OSMOFNYXHHAKEJ-HNNXBMFYSA-N 2 2 333.436 1.383 20 0 EDADLP CC(C)[NH+]1CCC(CCN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)CC1 ZINC000865317669 596537312 /nfs/dbraw/zinc/53/73/12/596537312.db2.gz OSMOFNYXHHAKEJ-HNNXBMFYSA-N 2 2 333.436 1.383 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2c3c(nc4ncnn42)CCC3)CC1 ZINC000865585204 596618228 /nfs/dbraw/zinc/61/82/28/596618228.db2.gz DDOCICFQFOFZMC-UHFFFAOYSA-N 2 2 329.452 1.051 20 0 EDADLP C[NH+](C)C1CCN(CCNc2nc(N)[nH+]c(C3CCCC3)n2)CC1 ZINC000865585668 596618415 /nfs/dbraw/zinc/61/84/15/596618415.db2.gz KYFWKBFLWIDBAV-UHFFFAOYSA-N 2 2 333.484 1.549 20 0 EDADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000871541635 596620655 /nfs/dbraw/zinc/62/06/55/596620655.db2.gz DKRBDUPRZYWPPM-UHFFFAOYSA-N 2 2 336.436 1.196 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000869761390 596621005 /nfs/dbraw/zinc/62/10/05/596621005.db2.gz NDMGOOVSGUPPAW-INIZCTEOSA-N 2 2 334.464 1.262 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N2CCN(C)c3[nH+]cccc3C2)CC1 ZINC000867984214 596644612 /nfs/dbraw/zinc/64/46/12/596644612.db2.gz VAKVEYLZJCLAHB-UHFFFAOYSA-N 2 2 331.464 1.916 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@]3(C)CCC[NH2+]3)C2)cc1 ZINC000867998163 596648737 /nfs/dbraw/zinc/64/87/37/596648737.db2.gz QPQVOTNHWFRYNJ-MJGOQNOKSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@]3(C)CCC[NH2+]3)C2)cc1 ZINC000867998163 596648739 /nfs/dbraw/zinc/64/87/39/596648739.db2.gz QPQVOTNHWFRYNJ-MJGOQNOKSA-N 2 2 331.460 1.454 20 0 EDADLP C[C@@H](O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[nH+]c1 ZINC000865803268 596691222 /nfs/dbraw/zinc/69/12/22/596691222.db2.gz XCFVKEQHXKSABJ-OHRKKDJYSA-N 2 2 332.448 1.630 20 0 EDADLP C[C@@H](O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[nH+]c1 ZINC000865803268 596691224 /nfs/dbraw/zinc/69/12/24/596691224.db2.gz XCFVKEQHXKSABJ-OHRKKDJYSA-N 2 2 332.448 1.630 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)s1 ZINC000868151430 596703391 /nfs/dbraw/zinc/70/33/91/596703391.db2.gz HZMKRULSNVLSCQ-XJKSGUPXSA-N 2 2 348.472 1.794 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)s1 ZINC000868151430 596703392 /nfs/dbraw/zinc/70/33/92/596703392.db2.gz HZMKRULSNVLSCQ-XJKSGUPXSA-N 2 2 348.472 1.794 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NS(=O)(=O)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000864094302 596753588 /nfs/dbraw/zinc/75/35/88/596753588.db2.gz PTWGQTQAUJXMRO-ZDUSSCGKSA-N 2 2 340.836 1.054 20 0 EDADLP CO[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000868290898 596770243 /nfs/dbraw/zinc/77/02/43/596770243.db2.gz VOLOKCLDHZFGEN-ZMSDIMECSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000868290898 596770247 /nfs/dbraw/zinc/77/02/47/596770247.db2.gz VOLOKCLDHZFGEN-ZMSDIMECSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)NC[C@@H]1CCN(c3ccccc3)C1)C2 ZINC000872154143 596814870 /nfs/dbraw/zinc/81/48/70/596814870.db2.gz OULQKLCMJKYZPE-ABSDTBQOSA-N 2 2 342.487 1.170 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)NC[C@@H]1CCN(c3ccccc3)C1)C2 ZINC000872154143 596814871 /nfs/dbraw/zinc/81/48/71/596814871.db2.gz OULQKLCMJKYZPE-ABSDTBQOSA-N 2 2 342.487 1.170 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNc3cc[nH+]cc3C(N)=O)C2)cc1 ZINC000866190176 596822521 /nfs/dbraw/zinc/82/25/21/596822521.db2.gz HUUJDLVIXXDCHJ-MRXNPFEDSA-N 2 2 340.427 1.224 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNc3cc[nH+]cc3C(N)=O)C2)cc1 ZINC000866190176 596822523 /nfs/dbraw/zinc/82/25/23/596822523.db2.gz HUUJDLVIXXDCHJ-MRXNPFEDSA-N 2 2 340.427 1.224 20 0 EDADLP COC(=O)C1CC([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000872226981 596844791 /nfs/dbraw/zinc/84/47/91/596844791.db2.gz CLQBUOVDYZQOMT-YMAMQOFZSA-N 2 2 331.416 1.555 20 0 EDADLP O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000872228787 596845401 /nfs/dbraw/zinc/84/54/01/596845401.db2.gz KONVPIWIDVHWCC-ZOBUZTSGSA-N 2 2 338.473 1.038 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(C)c3[nH+]cccc3C2)c1 ZINC000872314489 596878969 /nfs/dbraw/zinc/87/89/69/596878969.db2.gz GFJSZAFDFPWPQU-KRWDZBQOSA-N 2 2 340.427 1.439 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)c1cccc(-n2cnnn2)c1 ZINC000866411091 596879826 /nfs/dbraw/zinc/87/98/26/596879826.db2.gz BXCUTZGKDKDEGH-HIFRSBDPSA-N 2 2 330.436 1.158 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)c1cccc(-n2cnnn2)c1 ZINC000866411091 596879827 /nfs/dbraw/zinc/87/98/27/596879827.db2.gz BXCUTZGKDKDEGH-HIFRSBDPSA-N 2 2 330.436 1.158 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000875574287 596902402 /nfs/dbraw/zinc/90/24/02/596902402.db2.gz ZYMRBKSWVGAQTF-CQSZACIVSA-N 2 2 335.452 1.129 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000875574287 596902403 /nfs/dbraw/zinc/90/24/03/596902403.db2.gz ZYMRBKSWVGAQTF-CQSZACIVSA-N 2 2 335.452 1.129 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3coc(C(C)(C)C)n3)C2)CC1 ZINC000874462541 597090422 /nfs/dbraw/zinc/09/04/22/597090422.db2.gz RZCUFXGKSORHOV-CYBMUJFWSA-N 2 2 334.464 1.870 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3coc(C(C)(C)C)n3)C2)CC1 ZINC000874462541 597090424 /nfs/dbraw/zinc/09/04/24/597090424.db2.gz RZCUFXGKSORHOV-CYBMUJFWSA-N 2 2 334.464 1.870 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000874835755 597191367 /nfs/dbraw/zinc/19/13/67/597191367.db2.gz CMPPHRMLWWITJK-IAGOWNOFSA-N 2 2 345.491 1.327 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000874835755 597191371 /nfs/dbraw/zinc/19/13/71/597191371.db2.gz CMPPHRMLWWITJK-IAGOWNOFSA-N 2 2 345.491 1.327 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000874838900 597193886 /nfs/dbraw/zinc/19/38/86/597193886.db2.gz SKTLFBJPWRITFH-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000874838900 597193887 /nfs/dbraw/zinc/19/38/87/597193887.db2.gz SKTLFBJPWRITFH-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000874838900 597193890 /nfs/dbraw/zinc/19/38/90/597193890.db2.gz SKTLFBJPWRITFH-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000874838900 597193892 /nfs/dbraw/zinc/19/38/92/597193892.db2.gz SKTLFBJPWRITFH-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP O=c1[nH]c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)nc2c1COCC2 ZINC000873278079 597246902 /nfs/dbraw/zinc/24/69/02/597246902.db2.gz YQJRDCICUGMJNF-VHDGCEQUSA-N 2 2 332.448 1.655 20 0 EDADLP COCC[C@@H](C[NH+]1CCC([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000876595290 597254627 /nfs/dbraw/zinc/25/46/27/597254627.db2.gz BTBFEZGTQCNTQC-AWEZNQCLSA-N 2 2 329.485 1.942 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000876785021 597339315 /nfs/dbraw/zinc/33/93/15/597339315.db2.gz ODYJJFUETVOCLV-HOTGVXAUSA-N 3 2 340.487 1.001 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000876785436 597339705 /nfs/dbraw/zinc/33/97/05/597339705.db2.gz YQYZSASMGGUFRN-UHYXFYNQSA-N 3 2 348.535 1.465 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000875340037 597390975 /nfs/dbraw/zinc/39/09/75/597390975.db2.gz UOVPTLLVWOWRTB-QGZVFWFLSA-N 2 2 340.512 1.663 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000875340037 597390979 /nfs/dbraw/zinc/39/09/79/597390979.db2.gz UOVPTLLVWOWRTB-QGZVFWFLSA-N 2 2 340.512 1.663 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH+]2CCN([S@@](C)(=N)=O)CC2)cc1 ZINC000877793416 597557773 /nfs/dbraw/zinc/55/77/73/597557773.db2.gz XOGRXOZMKLZUIZ-HSZRJFAPSA-N 2 2 340.493 1.336 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881473489 597630950 /nfs/dbraw/zinc/63/09/50/597630950.db2.gz TVSFOWRZAWMDAD-OAHLLOKOSA-N 2 2 328.416 1.708 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883143807 597665904 /nfs/dbraw/zinc/66/59/04/597665904.db2.gz VWTJXSYKQQVLGI-ZBFHGGJFSA-N 2 2 335.452 1.214 20 0 EDADLP CO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C12CCC2 ZINC000883371738 597726212 /nfs/dbraw/zinc/72/62/12/597726212.db2.gz XZMQHEZKKLDPAQ-OKZBNKHCSA-N 2 2 337.508 1.330 20 0 EDADLP C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000884463688 598112461 /nfs/dbraw/zinc/11/24/61/598112461.db2.gz PMOQBGZOTREPKE-IUODEOHRSA-N 2 2 340.431 1.519 20 0 EDADLP Cc1ccc(NCCNC(=O)NCCCC[NH+]2CCOCC2)[nH+]c1 ZINC000914098924 695096609 /nfs/dbraw/zinc/09/66/09/695096609.db2.gz NTJASQDLIZSWHF-UHFFFAOYSA-N 2 2 335.452 1.214 20 0 EDADLP CCO[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C[NH+](C)C ZINC000914168100 695254647 /nfs/dbraw/zinc/25/46/47/695254647.db2.gz DXWAHYPUJUAASR-OAHLLOKOSA-N 2 2 337.468 1.028 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031050118 695383366 /nfs/dbraw/zinc/38/33/66/695383366.db2.gz BGBPJVQAHOEMOC-FUHWJXTLSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031050118 695383369 /nfs/dbraw/zinc/38/33/69/695383369.db2.gz BGBPJVQAHOEMOC-FUHWJXTLSA-N 2 2 337.508 1.866 20 0 EDADLP CO[C@@H](C[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001031051109 695386601 /nfs/dbraw/zinc/38/66/01/695386601.db2.gz MQEODCWDGBHORB-IBGZPJMESA-N 2 2 345.487 1.906 20 0 EDADLP Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992922801 695455864 /nfs/dbraw/zinc/45/58/64/695455864.db2.gz HZCWVAZSHVTWTI-ARFHVFGLSA-N 2 2 342.447 1.034 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc[nH+]1 ZINC001060483680 695487693 /nfs/dbraw/zinc/48/76/93/695487693.db2.gz KYHLRNRDSRGXKJ-ZNFSNMQZSA-N 2 2 341.459 1.353 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cc[nH+]1 ZINC001060483680 695487694 /nfs/dbraw/zinc/48/76/94/695487694.db2.gz KYHLRNRDSRGXKJ-ZNFSNMQZSA-N 2 2 341.459 1.353 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)cc[nH+]1 ZINC001060538530 695852657 /nfs/dbraw/zinc/85/26/57/695852657.db2.gz WUIMIBJEXSDMIX-ARFHVFGLSA-N 2 2 341.459 1.530 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001031267350 696081636 /nfs/dbraw/zinc/08/16/36/696081636.db2.gz CYVVGBUEBIDFJW-GFCCVEGCSA-N 2 2 338.402 1.997 20 0 EDADLP CCc1nocc1C[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993610861 696257750 /nfs/dbraw/zinc/25/77/50/696257750.db2.gz GVUZZZMUMMNKSU-YOEHRIQHSA-N 2 2 345.447 1.911 20 0 EDADLP CCc1nocc1C[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993610861 696257753 /nfs/dbraw/zinc/25/77/53/696257753.db2.gz GVUZZZMUMMNKSU-YOEHRIQHSA-N 2 2 345.447 1.911 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCC(F)(F)F ZINC000994219790 696587916 /nfs/dbraw/zinc/58/79/16/696587916.db2.gz BQCGJGGCYYJPCR-YPMHNXCESA-N 2 2 332.370 1.884 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCC(F)(F)F ZINC000994219790 696587919 /nfs/dbraw/zinc/58/79/19/696587919.db2.gz BQCGJGGCYYJPCR-YPMHNXCESA-N 2 2 332.370 1.884 20 0 EDADLP Cc1ncoc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994420788 696842146 /nfs/dbraw/zinc/84/21/46/696842146.db2.gz KWGIFPMHQRXMDW-DZGCQCFKSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994420788 696842149 /nfs/dbraw/zinc/84/21/49/696842149.db2.gz KWGIFPMHQRXMDW-DZGCQCFKSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)o1 ZINC000994427113 696854864 /nfs/dbraw/zinc/85/48/64/696854864.db2.gz UYOBUSZKOTVWOP-LRDDRELGSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)o1 ZINC000994427113 696854866 /nfs/dbraw/zinc/85/48/66/696854866.db2.gz UYOBUSZKOTVWOP-LRDDRELGSA-N 2 2 331.420 1.657 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000917049546 696887707 /nfs/dbraw/zinc/88/77/07/696887707.db2.gz DNMJIEYZECUCDI-SJORKVTESA-N 2 2 347.507 1.641 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000917049546 696887709 /nfs/dbraw/zinc/88/77/09/696887709.db2.gz DNMJIEYZECUCDI-SJORKVTESA-N 2 2 347.507 1.641 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994513312 696964470 /nfs/dbraw/zinc/96/44/70/696964470.db2.gz ZZALJWJBZGBYEM-CXAGYDPISA-N 2 2 345.447 1.911 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994513312 696964472 /nfs/dbraw/zinc/96/44/72/696964472.db2.gz ZZALJWJBZGBYEM-CXAGYDPISA-N 2 2 345.447 1.911 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001031391959 697020033 /nfs/dbraw/zinc/02/00/33/697020033.db2.gz PJMCZHABNJGOKE-ZDUSSCGKSA-N 2 2 326.391 1.817 20 0 EDADLP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001031437377 697100599 /nfs/dbraw/zinc/10/05/99/697100599.db2.gz AEZUUKUEJCIHJX-UHFFFAOYSA-N 2 2 331.460 1.731 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N[C@@H](CC)C[NH+]2CCOCC2)CC1 ZINC000920506308 697440809 /nfs/dbraw/zinc/44/08/09/697440809.db2.gz IRLFQTVVLKDWHV-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031713527 697733214 /nfs/dbraw/zinc/73/32/14/697733214.db2.gz BFZPWWRNPAFIBV-GOSISDBHSA-N 2 2 346.475 1.974 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031713527 697733217 /nfs/dbraw/zinc/73/32/17/697733217.db2.gz BFZPWWRNPAFIBV-GOSISDBHSA-N 2 2 346.475 1.974 20 0 EDADLP Cc1ccncc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943178778 697876161 /nfs/dbraw/zinc/87/61/61/697876161.db2.gz VHRCWDMBCXGZOO-PBHICJAKSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1ccncc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943178778 697876163 /nfs/dbraw/zinc/87/61/63/697876163.db2.gz VHRCWDMBCXGZOO-PBHICJAKSA-N 2 2 327.432 1.682 20 0 EDADLP CC[C@@H](F)C[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032080427 698256690 /nfs/dbraw/zinc/25/66/90/698256690.db2.gz UPDSOZBJMSNHTD-OAHLLOKOSA-N 2 2 331.395 1.677 20 0 EDADLP CCn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000995152632 701550939 /nfs/dbraw/zinc/55/09/39/701550939.db2.gz MEWHLHQRXWCYKG-KBPBESRZSA-N 2 2 330.436 1.243 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031764272 699042077 /nfs/dbraw/zinc/04/20/77/699042077.db2.gz XWQZINMRTWYZIB-HBUWYVDXSA-N 2 2 349.450 1.654 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031764272 699042079 /nfs/dbraw/zinc/04/20/79/699042079.db2.gz XWQZINMRTWYZIB-HBUWYVDXSA-N 2 2 349.450 1.654 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031773299 699114575 /nfs/dbraw/zinc/11/45/75/699114575.db2.gz QSQWXSTVSJTMGP-HNNXBMFYSA-N 2 2 328.416 1.794 20 0 EDADLP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031775152 699142214 /nfs/dbraw/zinc/14/22/14/699142214.db2.gz AGJPPOWCSFZCMK-MRXNPFEDSA-N 2 2 339.443 1.397 20 0 EDADLP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001031779084 699180554 /nfs/dbraw/zinc/18/05/54/699180554.db2.gz JDFCZYREDYPXKB-RDJZCZTQSA-N 2 2 346.475 1.309 20 0 EDADLP CCOC1CC(C[NH+]2CC(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001031783511 699210392 /nfs/dbraw/zinc/21/03/92/699210392.db2.gz XROYYWFLERBTDH-WIHSUSGWSA-N 2 2 346.475 1.309 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939210449 699358119 /nfs/dbraw/zinc/35/81/19/699358119.db2.gz OLLJOOXKIKCGDO-WBMJQRKESA-N 2 2 346.406 1.737 20 0 EDADLP Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cc1 ZINC000939214537 699386026 /nfs/dbraw/zinc/38/60/26/699386026.db2.gz LSCCBHVKBGRFST-MAUKXSAKSA-N 2 2 326.444 1.940 20 0 EDADLP C[C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1[NH2+]CC1CC1 ZINC000939234337 699401467 /nfs/dbraw/zinc/40/14/67/699401467.db2.gz DVUXOXLODWLQPA-RDJZCZTQSA-N 2 2 335.492 1.478 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163112 701594901 /nfs/dbraw/zinc/59/49/01/701594901.db2.gz AQAFBZSOXAFGNS-NVXWUHKLSA-N 2 2 341.459 1.741 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939395555 699545601 /nfs/dbraw/zinc/54/56/01/699545601.db2.gz ACUUHKYNBRMDNA-HOCLYGCPSA-N 2 2 342.443 1.906 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939533712 699671873 /nfs/dbraw/zinc/67/18/73/699671873.db2.gz DRWSGCPFCUHXKM-TZMCWYRMSA-N 2 2 330.436 1.058 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cs1 ZINC000939534495 699675500 /nfs/dbraw/zinc/67/55/00/699675500.db2.gz KSFOKZLBIVOHMP-MLGOLLRUSA-N 2 2 332.473 1.969 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939539359 699680190 /nfs/dbraw/zinc/68/01/90/699680190.db2.gz CGPXZPCVFNZAST-KGLIPLIRSA-N 2 2 330.436 1.021 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000939550626 699699915 /nfs/dbraw/zinc/69/99/15/699699915.db2.gz NDTQRIXXJKOFCA-ZFWWWQNUSA-N 2 2 340.431 1.188 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cnccc2C)[C@@H](C)C1 ZINC000939621988 699758393 /nfs/dbraw/zinc/75/83/93/699758393.db2.gz HFMUVFXVLLBWSD-GUYCJALGSA-N 2 2 327.432 1.601 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000939623727 699761358 /nfs/dbraw/zinc/76/13/58/699761358.db2.gz VDSWXEKBIORNSN-BZNIZROVSA-N 2 2 331.395 1.431 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939643831 699784059 /nfs/dbraw/zinc/78/40/59/699784059.db2.gz XCDQMZOXLAIGRR-GUYCJALGSA-N 2 2 345.422 1.524 20 0 EDADLP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2cnon2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000994985981 699803880 /nfs/dbraw/zinc/80/38/80/699803880.db2.gz DKIQPJMUUJKGQZ-DGCLKSJQSA-N 2 2 340.387 1.634 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995166460 701614250 /nfs/dbraw/zinc/61/42/50/701614250.db2.gz HFNZJHLGLBFWQA-WBVHZDCISA-N 2 2 341.459 1.741 20 0 EDADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939754154 699904278 /nfs/dbraw/zinc/90/42/78/699904278.db2.gz LNUNPTOJQRUHRL-BXUZGUMPSA-N 2 2 349.460 1.293 20 0 EDADLP CCc1nnc(C[N@@H+]2CCC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)o1 ZINC000948244729 700456071 /nfs/dbraw/zinc/45/60/71/700456071.db2.gz JBBXQDIVRQHHEQ-GJZGRUSLSA-N 2 2 349.479 1.539 20 0 EDADLP CCc1nnc(C[N@H+]2CCC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)o1 ZINC000948244729 700456073 /nfs/dbraw/zinc/45/60/73/700456073.db2.gz JBBXQDIVRQHHEQ-GJZGRUSLSA-N 2 2 349.479 1.539 20 0 EDADLP CCc1nnc(C[NH+]2CCC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000948244729 700456077 /nfs/dbraw/zinc/45/60/77/700456077.db2.gz JBBXQDIVRQHHEQ-GJZGRUSLSA-N 2 2 349.479 1.539 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)[NH+](C)C ZINC000995064816 700484631 /nfs/dbraw/zinc/48/46/31/700484631.db2.gz RORAIIHOURPKDU-INIZCTEOSA-N 2 2 343.431 1.090 20 0 EDADLP CCn1c(C)nnc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940355833 700517538 /nfs/dbraw/zinc/51/75/38/700517538.db2.gz CFIOPUMMPCPQQC-UHFFFAOYSA-N 2 2 345.451 1.043 20 0 EDADLP CC1(C)CO[C@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000940353060 700536854 /nfs/dbraw/zinc/53/68/54/700536854.db2.gz HHTUEAXQXNAACE-HNNXBMFYSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)nn1C ZINC000940426332 700620044 /nfs/dbraw/zinc/62/00/44/700620044.db2.gz QMJJKGTYIQOLKB-UHFFFAOYSA-N 2 2 344.463 1.175 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000940441363 700642589 /nfs/dbraw/zinc/64/25/89/700642589.db2.gz FQFRDMSVMZNSNO-DNVCBOLYSA-N 2 2 346.475 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940441416 700642608 /nfs/dbraw/zinc/64/26/08/700642608.db2.gz HRBUKMVNWOVDPQ-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757285 700892360 /nfs/dbraw/zinc/89/23/60/700892360.db2.gz YMSMKEUWOWMWIB-FMKPAKJESA-N 2 2 349.479 1.435 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757285 700892362 /nfs/dbraw/zinc/89/23/62/700892362.db2.gz YMSMKEUWOWMWIB-FMKPAKJESA-N 2 2 349.479 1.435 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757285 700892364 /nfs/dbraw/zinc/89/23/64/700892364.db2.gz YMSMKEUWOWMWIB-FMKPAKJESA-N 2 2 349.479 1.435 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757285 700892365 /nfs/dbraw/zinc/89/23/65/700892365.db2.gz YMSMKEUWOWMWIB-FMKPAKJESA-N 2 2 349.479 1.435 20 0 EDADLP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838483 700935783 /nfs/dbraw/zinc/93/57/83/700935783.db2.gz HKYVNJGYRZCTBF-HNNXBMFYSA-N 2 2 343.431 1.139 20 0 EDADLP CNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838483 700935785 /nfs/dbraw/zinc/93/57/85/700935785.db2.gz HKYVNJGYRZCTBF-HNNXBMFYSA-N 2 2 343.431 1.139 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)ncn1 ZINC000995106898 700936272 /nfs/dbraw/zinc/93/62/72/700936272.db2.gz NIFRLSFUTVKQER-KGLIPLIRSA-N 2 2 328.420 1.125 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886246 700963868 /nfs/dbraw/zinc/96/38/68/700963868.db2.gz MYJJFNNXSNPGHZ-HNNXBMFYSA-N 2 2 330.432 1.811 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886246 700963870 /nfs/dbraw/zinc/96/38/70/700963870.db2.gz MYJJFNNXSNPGHZ-HNNXBMFYSA-N 2 2 330.432 1.811 20 0 EDADLP CC(C)n1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995110037 700986321 /nfs/dbraw/zinc/98/63/21/700986321.db2.gz YFTFBYLXERWEFS-HUUCEWRRSA-N 2 2 344.463 1.804 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)o1 ZINC000945807151 701197686 /nfs/dbraw/zinc/19/76/86/701197686.db2.gz HGBBRQKWMGFNPO-DZGCQCFKSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)o1 ZINC000945807151 701197687 /nfs/dbraw/zinc/19/76/87/701197687.db2.gz HGBBRQKWMGFNPO-DZGCQCFKSA-N 2 2 345.447 1.769 20 0 EDADLP CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129587 701206654 /nfs/dbraw/zinc/20/66/54/701206654.db2.gz IMMIPQUMTYXYBG-CABCVRRESA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129587 701206657 /nfs/dbraw/zinc/20/66/57/701206657.db2.gz IMMIPQUMTYXYBG-CABCVRRESA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@H+](CC[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941131362 701209072 /nfs/dbraw/zinc/20/90/72/701209072.db2.gz YZBZUDOCPNZZGV-CABCVRRESA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)C[N@@H+](CC[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941131362 701209073 /nfs/dbraw/zinc/20/90/73/701209073.db2.gz YZBZUDOCPNZZGV-CABCVRRESA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)C[N@H+](CCOC2CCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941131211 701209082 /nfs/dbraw/zinc/20/90/82/701209082.db2.gz XQDCJQHDQOWTDU-OAHLLOKOSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)C[N@@H+](CCOC2CCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941131211 701209085 /nfs/dbraw/zinc/20/90/85/701209085.db2.gz XQDCJQHDQOWTDU-OAHLLOKOSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCOC2)CC1(C)C ZINC000941186724 701391341 /nfs/dbraw/zinc/39/13/41/701391341.db2.gz PSLFMWVTEAPMIB-GDBMZVCRSA-N 2 2 334.464 1.514 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)CC1(C)C ZINC000941186724 701391343 /nfs/dbraw/zinc/39/13/43/701391343.db2.gz PSLFMWVTEAPMIB-GDBMZVCRSA-N 2 2 334.464 1.514 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)co1 ZINC000941216574 701402840 /nfs/dbraw/zinc/40/28/40/701402840.db2.gz FGXDKZIHTMXVAU-GDBMZVCRSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)co1 ZINC000941216574 701402841 /nfs/dbraw/zinc/40/28/41/701402841.db2.gz FGXDKZIHTMXVAU-GDBMZVCRSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)co1 ZINC000941216574 701402843 /nfs/dbraw/zinc/40/28/43/701402843.db2.gz FGXDKZIHTMXVAU-GDBMZVCRSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)co1 ZINC000941216574 701402845 /nfs/dbraw/zinc/40/28/45/701402845.db2.gz FGXDKZIHTMXVAU-GDBMZVCRSA-N 2 2 334.464 1.651 20 0 EDADLP CC1(C)C[N@H+](Cc2nccs2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221376 701412161 /nfs/dbraw/zinc/41/21/61/701412161.db2.gz RWLSCYHMVOXMOV-AWEZNQCLSA-N 2 2 336.505 1.956 20 0 EDADLP CC1(C)C[N@@H+](Cc2nccs2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221376 701412163 /nfs/dbraw/zinc/41/21/63/701412163.db2.gz RWLSCYHMVOXMOV-AWEZNQCLSA-N 2 2 336.505 1.956 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941237031 701427855 /nfs/dbraw/zinc/42/78/55/701427855.db2.gz GHOFSCYZHGWOSH-CVEARBPZSA-N 2 2 349.479 1.661 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941237031 701427856 /nfs/dbraw/zinc/42/78/56/701427856.db2.gz GHOFSCYZHGWOSH-CVEARBPZSA-N 2 2 349.479 1.661 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000941237031 701427857 /nfs/dbraw/zinc/42/78/57/701427857.db2.gz GHOFSCYZHGWOSH-CVEARBPZSA-N 2 2 349.479 1.661 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000941237031 701427858 /nfs/dbraw/zinc/42/78/58/701427858.db2.gz GHOFSCYZHGWOSH-CVEARBPZSA-N 2 2 349.479 1.661 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001032128826 701800521 /nfs/dbraw/zinc/80/05/21/701800521.db2.gz LCPOQQACLVKSIB-MAUKXSAKSA-N 2 2 348.466 1.889 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccc(F)cc1 ZINC001032652367 706622990 /nfs/dbraw/zinc/62/29/90/706622990.db2.gz PJAHBWZLQMPYQR-YESZJQIVSA-N 2 2 344.390 1.110 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccc(F)cc1 ZINC001032652367 706622991 /nfs/dbraw/zinc/62/29/91/706622991.db2.gz PJAHBWZLQMPYQR-YESZJQIVSA-N 2 2 344.390 1.110 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995746370 701970729 /nfs/dbraw/zinc/97/07/29/701970729.db2.gz LREIEQAQDQIWCC-CQSZACIVSA-N 2 2 331.420 1.666 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2nccnc2C)C[C@H]1C ZINC000944442092 702021696 /nfs/dbraw/zinc/02/16/96/702021696.db2.gz BKXZNHRKVCBNLC-DOMZBBRYSA-N 2 2 342.447 1.386 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2nccnc2C)C[C@H]1C ZINC000944442092 702021700 /nfs/dbraw/zinc/02/17/00/702021700.db2.gz BKXZNHRKVCBNLC-DOMZBBRYSA-N 2 2 342.447 1.386 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(Cl)ccc3F)C2)C1 ZINC001032183046 702153393 /nfs/dbraw/zinc/15/33/93/702153393.db2.gz YJPHJSIYVAHGSH-ZDUSSCGKSA-N 2 2 339.842 1.979 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(Cl)ccc3F)C2)C1 ZINC001032183046 702153401 /nfs/dbraw/zinc/15/34/01/702153401.db2.gz YJPHJSIYVAHGSH-ZDUSSCGKSA-N 2 2 339.842 1.979 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cnn(C(C)(C)C)c3)C2)C1 ZINC001032185861 702309956 /nfs/dbraw/zinc/30/99/56/702309956.db2.gz DJVXUFQOXDDGLY-INIZCTEOSA-N 2 2 333.480 1.138 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cnn(C(C)(C)C)c3)C2)C1 ZINC001032185861 702309967 /nfs/dbraw/zinc/30/99/67/702309967.db2.gz DJVXUFQOXDDGLY-INIZCTEOSA-N 2 2 333.480 1.138 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cscn1 ZINC000996104705 702523329 /nfs/dbraw/zinc/52/33/29/702523329.db2.gz FOZDTMBOPMDHBY-AWEZNQCLSA-N 2 2 333.461 1.757 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000996106142 702566638 /nfs/dbraw/zinc/56/66/38/702566638.db2.gz NEWNXNQUOIPIFX-CVEARBPZSA-N 2 2 334.464 1.526 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)c1 ZINC000996355417 702733206 /nfs/dbraw/zinc/73/32/06/702733206.db2.gz MDSARUGKBOQWOM-QGZVFWFLSA-N 2 2 342.443 1.988 20 0 EDADLP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996355803 702733411 /nfs/dbraw/zinc/73/34/11/702733411.db2.gz NRPNHFQRVIYORS-MRXNPFEDSA-N 2 2 327.432 1.682 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000996357262 702734738 /nfs/dbraw/zinc/73/47/38/702734738.db2.gz WSSNUKASKRDNPQ-OAHLLOKOSA-N 2 2 343.431 1.383 20 0 EDADLP C[C@H](CC(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1)n1cc[nH+]c1 ZINC000996359739 702735478 /nfs/dbraw/zinc/73/54/78/702735478.db2.gz FHPUXYBUSVZYNL-ZBFHGGJFSA-N 2 2 344.463 1.595 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996461127 702789260 /nfs/dbraw/zinc/78/92/60/702789260.db2.gz MBZQFBRWCQKDRC-HNNXBMFYSA-N 2 2 327.432 1.682 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996516211 702852018 /nfs/dbraw/zinc/85/20/18/702852018.db2.gz YHYSDKYCDFSEFH-GOEBONIOSA-N 2 2 348.491 1.941 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC000996561001 702874748 /nfs/dbraw/zinc/87/47/48/702874748.db2.gz GBCLOTHNVNPKTP-GOEBONIOSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996563246 702877037 /nfs/dbraw/zinc/87/70/37/702877037.db2.gz ONZYJSHNMXZWCY-AWEZNQCLSA-N 2 2 333.461 1.744 20 0 EDADLP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996570780 702883256 /nfs/dbraw/zinc/88/32/56/702883256.db2.gz XUBPVGZONMUIPV-MRXNPFEDSA-N 2 2 344.463 1.113 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)[nH]1 ZINC000996608604 702912040 /nfs/dbraw/zinc/91/20/40/702912040.db2.gz DDRSASJURKFPNU-OCCSQVGLSA-N 2 2 334.468 1.097 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996616122 702923268 /nfs/dbraw/zinc/92/32/68/702923268.db2.gz ANUISHDCUYLXJX-OAHLLOKOSA-N 2 2 344.463 1.435 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000996653179 702943027 /nfs/dbraw/zinc/94/30/27/702943027.db2.gz ZQWQEFGRHGZIJO-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000996653179 702943028 /nfs/dbraw/zinc/94/30/28/702943028.db2.gz ZQWQEFGRHGZIJO-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000996717248 703015547 /nfs/dbraw/zinc/01/55/47/703015547.db2.gz SILZGGLYHISABO-INIZCTEOSA-N 2 2 334.464 1.526 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)C[C@@H]1C ZINC000942518656 703020055 /nfs/dbraw/zinc/02/00/55/703020055.db2.gz VAEBRJPKLWXDRF-BBRMVZONSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)C[C@@H]1C ZINC000942518656 703020057 /nfs/dbraw/zinc/02/00/57/703020057.db2.gz VAEBRJPKLWXDRF-BBRMVZONSA-N 2 2 342.447 1.317 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000996728621 703023533 /nfs/dbraw/zinc/02/35/33/703023533.db2.gz LJHIZEHHGJOJCJ-HNNXBMFYSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000996728621 703023536 /nfs/dbraw/zinc/02/35/36/703023536.db2.gz LJHIZEHHGJOJCJ-HNNXBMFYSA-N 2 2 349.479 1.758 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996731140 703028306 /nfs/dbraw/zinc/02/83/06/703028306.db2.gz RFPWVMGQVVRDAF-CYBMUJFWSA-N 2 2 328.416 1.794 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996734344 703030860 /nfs/dbraw/zinc/03/08/60/703030860.db2.gz XGIUZBAAUFDDGS-CYBMUJFWSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]Cc2cscn2)CC1 ZINC000996737622 703034132 /nfs/dbraw/zinc/03/41/32/703034132.db2.gz LCRAGRZRDCQNEO-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996758453 703046939 /nfs/dbraw/zinc/04/69/39/703046939.db2.gz OPVWRTUOMYCQDF-LSDHHAIUSA-N 2 2 332.448 1.063 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996759076 703047532 /nfs/dbraw/zinc/04/75/32/703047532.db2.gz PQXOGAJOCMSONR-CYBMUJFWSA-N 2 2 345.472 1.683 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCCCC2)C1 ZINC001032331925 703113208 /nfs/dbraw/zinc/11/32/08/703113208.db2.gz MUHYKQUEPXDHQH-GBESFXJTSA-N 2 2 349.519 1.963 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCCCC2)C1 ZINC001032331925 703113213 /nfs/dbraw/zinc/11/32/13/703113213.db2.gz MUHYKQUEPXDHQH-GBESFXJTSA-N 2 2 349.519 1.963 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCCCC2)C1 ZINC001032331925 703113216 /nfs/dbraw/zinc/11/32/16/703113216.db2.gz MUHYKQUEPXDHQH-GBESFXJTSA-N 2 2 349.519 1.963 20 0 EDADLP Cc1ccc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001032331972 703113757 /nfs/dbraw/zinc/11/37/57/703113757.db2.gz NWJCGCSPNWUAEL-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1ccc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001032331972 703113759 /nfs/dbraw/zinc/11/37/59/703113759.db2.gz NWJCGCSPNWUAEL-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1ccc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)c1 ZINC001032331972 703113761 /nfs/dbraw/zinc/11/37/61/703113761.db2.gz NWJCGCSPNWUAEL-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)c1 ZINC001032331972 703113763 /nfs/dbraw/zinc/11/37/63/703113763.db2.gz NWJCGCSPNWUAEL-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)nc1 ZINC000996836577 703123991 /nfs/dbraw/zinc/12/39/91/703123991.db2.gz XWZMQKIVUSGWLM-UHFFFAOYSA-N 2 2 342.447 1.232 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996859302 703143088 /nfs/dbraw/zinc/14/30/88/703143088.db2.gz KKKSCERTBIMRAC-UHFFFAOYSA-N 2 2 331.395 1.588 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000996861750 703144694 /nfs/dbraw/zinc/14/46/94/703144694.db2.gz ZWXZRUIKPMTHBM-HNNXBMFYSA-N 2 2 342.447 1.713 20 0 EDADLP COc1ccnc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000997043237 703284154 /nfs/dbraw/zinc/28/41/54/703284154.db2.gz WLRDNGHAXZMQSI-UHFFFAOYSA-N 2 2 329.404 1.137 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)s1 ZINC000997039607 703290457 /nfs/dbraw/zinc/29/04/57/703290457.db2.gz DRWUJJKMDRCDQV-SNVBAGLBSA-N 2 2 334.449 1.454 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997084083 703322321 /nfs/dbraw/zinc/32/23/21/703322321.db2.gz KRZMAVMRKOYNJU-LSDHHAIUSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997084083 703322323 /nfs/dbraw/zinc/32/23/23/703322323.db2.gz KRZMAVMRKOYNJU-LSDHHAIUSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001032699827 706737014 /nfs/dbraw/zinc/73/70/14/706737014.db2.gz YJGUAHHXDIGHTE-OALUTQOASA-N 2 2 342.487 1.907 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001032699827 706737017 /nfs/dbraw/zinc/73/70/17/706737017.db2.gz YJGUAHHXDIGHTE-OALUTQOASA-N 2 2 342.487 1.907 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](C)C2)o1 ZINC000942823360 703331844 /nfs/dbraw/zinc/33/18/44/703331844.db2.gz UKXSTLWJIOOLFU-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](C)C2)o1 ZINC000942823360 703331846 /nfs/dbraw/zinc/33/18/46/703331846.db2.gz UKXSTLWJIOOLFU-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](C)C2)o1 ZINC000942823360 703331849 /nfs/dbraw/zinc/33/18/49/703331849.db2.gz UKXSTLWJIOOLFU-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](C)C2)o1 ZINC000942823360 703331852 /nfs/dbraw/zinc/33/18/52/703331852.db2.gz UKXSTLWJIOOLFU-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP CCCc1nc(C)c(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)o1 ZINC000997128984 703387733 /nfs/dbraw/zinc/38/77/33/703387733.db2.gz YDWWFYBQWADNPG-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)ncn1 ZINC000997183104 703468344 /nfs/dbraw/zinc/46/83/44/703468344.db2.gz OEXVNLJSBPAMIZ-UHFFFAOYSA-N 2 2 342.447 1.567 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000997179956 703470040 /nfs/dbraw/zinc/47/00/40/703470040.db2.gz MRLQJPCBCWLQPE-UHFFFAOYSA-N 2 2 333.461 1.508 20 0 EDADLP Cc1nc(CC[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)cs1 ZINC000997181237 703471604 /nfs/dbraw/zinc/47/16/04/703471604.db2.gz XOSLCKNAQVTLQW-UHFFFAOYSA-N 2 2 347.488 1.551 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001032415056 703476970 /nfs/dbraw/zinc/47/69/70/703476970.db2.gz OQUKRGXRRGKFNC-IRXDYDNUSA-N 2 2 328.460 1.847 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032415056 703476972 /nfs/dbraw/zinc/47/69/72/703476972.db2.gz OQUKRGXRRGKFNC-IRXDYDNUSA-N 2 2 328.460 1.847 20 0 EDADLP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000997221650 703499570 /nfs/dbraw/zinc/49/95/70/703499570.db2.gz MGYPEXVJCHBDDG-UHFFFAOYSA-N 2 2 345.447 1.900 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)cn1 ZINC000997209919 703509545 /nfs/dbraw/zinc/50/95/45/703509545.db2.gz GBWOKEMUQRNDFX-UHFFFAOYSA-N 2 2 343.431 1.445 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nnsc3Cl)CC2)C1 ZINC000997296656 703555493 /nfs/dbraw/zinc/55/54/93/703555493.db2.gz ATBLAKHPCCFGGO-SNVBAGLBSA-N 2 2 343.884 1.224 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nnsc3Cl)CC2)C1 ZINC000997296656 703555494 /nfs/dbraw/zinc/55/54/94/703555494.db2.gz ATBLAKHPCCFGGO-SNVBAGLBSA-N 2 2 343.884 1.224 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032430997 703588794 /nfs/dbraw/zinc/58/87/94/703588794.db2.gz MIKCIYCWUNKUGW-QEJZJMRPSA-N 2 2 337.489 1.743 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032430997 703588796 /nfs/dbraw/zinc/58/87/96/703588796.db2.gz MIKCIYCWUNKUGW-QEJZJMRPSA-N 2 2 337.489 1.743 20 0 EDADLP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001032444785 703622345 /nfs/dbraw/zinc/62/23/45/703622345.db2.gz MRQMKIZEJNGUOY-XYJFISCASA-N 2 2 328.460 1.515 20 0 EDADLP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001032444785 703622346 /nfs/dbraw/zinc/62/23/46/703622346.db2.gz MRQMKIZEJNGUOY-XYJFISCASA-N 2 2 328.460 1.515 20 0 EDADLP CC(C)c1ocnc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997413336 703668468 /nfs/dbraw/zinc/66/84/68/703668468.db2.gz MCBOLESXHIKWAD-UHFFFAOYSA-N 2 2 331.420 1.775 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[N@H+]2C)c(C)n1 ZINC001032479144 703714293 /nfs/dbraw/zinc/71/42/93/703714293.db2.gz GNGROQIVPDIQBX-FHWLQOOXSA-N 2 2 342.487 1.968 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[N@@H+]2C)c(C)n1 ZINC001032479144 703714294 /nfs/dbraw/zinc/71/42/94/703714294.db2.gz GNGROQIVPDIQBX-FHWLQOOXSA-N 2 2 342.487 1.968 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[NH+]2C)c(C)n1 ZINC001032479144 703714295 /nfs/dbraw/zinc/71/42/95/703714295.db2.gz GNGROQIVPDIQBX-FHWLQOOXSA-N 2 2 342.487 1.968 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[NH+]2C)c(C)n1 ZINC001032479144 703714296 /nfs/dbraw/zinc/71/42/96/703714296.db2.gz GNGROQIVPDIQBX-FHWLQOOXSA-N 2 2 342.487 1.968 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CCC1CC1)C2 ZINC001032485274 703740044 /nfs/dbraw/zinc/74/00/44/703740044.db2.gz ILHBUIPWTMOCMF-PMPSAXMXSA-N 2 2 328.460 1.908 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CCC1CC1)C2 ZINC001032485274 703740045 /nfs/dbraw/zinc/74/00/45/703740045.db2.gz ILHBUIPWTMOCMF-PMPSAXMXSA-N 2 2 328.460 1.908 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CCC1CC1)CC2 ZINC001032485274 703740046 /nfs/dbraw/zinc/74/00/46/703740046.db2.gz ILHBUIPWTMOCMF-PMPSAXMXSA-N 2 2 328.460 1.908 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CCC1CC1)CC2 ZINC001032485274 703740047 /nfs/dbraw/zinc/74/00/47/703740047.db2.gz ILHBUIPWTMOCMF-PMPSAXMXSA-N 2 2 328.460 1.908 20 0 EDADLP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033078126 704129306 /nfs/dbraw/zinc/12/93/06/704129306.db2.gz JWFJACRGBNQMGX-GOEBONIOSA-N 2 2 330.432 1.824 20 0 EDADLP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033078126 704129307 /nfs/dbraw/zinc/12/93/07/704129307.db2.gz JWFJACRGBNQMGX-GOEBONIOSA-N 2 2 330.432 1.824 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033080183 704145546 /nfs/dbraw/zinc/14/55/46/704145546.db2.gz DVUHEPNKFUSXPC-HUUCEWRRSA-N 2 2 349.504 1.221 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033080183 704145550 /nfs/dbraw/zinc/14/55/50/704145550.db2.gz DVUHEPNKFUSXPC-HUUCEWRRSA-N 2 2 349.504 1.221 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1 ZINC001032535082 704567928 /nfs/dbraw/zinc/56/79/28/704567928.db2.gz ROJCMJIPNOSEJY-YESZJQIVSA-N 2 2 346.475 1.597 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCCO1 ZINC001032535082 704567930 /nfs/dbraw/zinc/56/79/30/704567930.db2.gz ROJCMJIPNOSEJY-YESZJQIVSA-N 2 2 346.475 1.597 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)[nH]1 ZINC000997737634 704634852 /nfs/dbraw/zinc/63/48/52/704634852.db2.gz KHMVHEANQVKBML-LBPRGKRZSA-N 2 2 345.451 1.358 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963469 704829180 /nfs/dbraw/zinc/82/91/80/704829180.db2.gz ALKWCBIBXOGDRB-OCCSQVGLSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963469 704829183 /nfs/dbraw/zinc/82/91/83/704829183.db2.gz ALKWCBIBXOGDRB-OCCSQVGLSA-N 2 2 346.435 1.164 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nc(C)no2)CC1 ZINC000997948687 705066240 /nfs/dbraw/zinc/06/62/40/705066240.db2.gz JOKIKOZRHHGQOX-CVEARBPZSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nc(C)no2)CC1 ZINC000997948687 705066242 /nfs/dbraw/zinc/06/62/42/705066242.db2.gz JOKIKOZRHHGQOX-CVEARBPZSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2nc(C)no2)CC1 ZINC000997948687 705066244 /nfs/dbraw/zinc/06/62/44/705066244.db2.gz JOKIKOZRHHGQOX-CVEARBPZSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nc(C)no2)CC1 ZINC000997948687 705066246 /nfs/dbraw/zinc/06/62/46/705066246.db2.gz JOKIKOZRHHGQOX-CVEARBPZSA-N 2 2 349.479 1.675 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)s1 ZINC000998117203 705372653 /nfs/dbraw/zinc/37/26/53/705372653.db2.gz YFQWROKZNPNOLT-UHFFFAOYSA-N 2 2 333.461 1.746 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]Cc2nccn2C)CC1 ZINC000998139943 705406107 /nfs/dbraw/zinc/40/61/07/705406107.db2.gz WFWDZDBHMBHLKB-CQSZACIVSA-N 2 2 344.463 1.350 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1)c1cnccn1 ZINC000998222722 705548955 /nfs/dbraw/zinc/54/89/55/705548955.db2.gz KHMGFTAXUUOYPZ-CQSZACIVSA-N 2 2 342.447 1.342 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)on1 ZINC000998252723 705607408 /nfs/dbraw/zinc/60/74/08/705607408.db2.gz ATXODANZBALZFP-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)co1 ZINC000998254356 705610772 /nfs/dbraw/zinc/61/07/72/705610772.db2.gz LYVWHILTXYDTLL-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC000998295218 705696735 /nfs/dbraw/zinc/69/67/35/705696735.db2.gz LNOWPXDSVVQWSM-QWHCGFSZSA-N 2 2 330.354 1.731 20 0 EDADLP Cc1cncc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000998296334 705698876 /nfs/dbraw/zinc/69/88/76/705698876.db2.gz FKYYSMDLZDBEBJ-UHFFFAOYSA-N 2 2 327.432 1.615 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000998554890 705993426 /nfs/dbraw/zinc/99/34/26/705993426.db2.gz BPRKUZIHLGNSLT-RUXDESIVSA-N 2 2 335.452 1.195 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000998554890 705993429 /nfs/dbraw/zinc/99/34/29/705993429.db2.gz BPRKUZIHLGNSLT-RUXDESIVSA-N 2 2 335.452 1.195 20 0 EDADLP CC(C)Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000998726047 706160517 /nfs/dbraw/zinc/16/05/17/706160517.db2.gz YONPETARTBSWBZ-GJZGRUSLSA-N 2 2 349.479 1.443 20 0 EDADLP CC(C)Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000998726047 706160519 /nfs/dbraw/zinc/16/05/19/706160519.db2.gz YONPETARTBSWBZ-GJZGRUSLSA-N 2 2 349.479 1.443 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]Cc2cnns2)C1 ZINC000999008544 706428052 /nfs/dbraw/zinc/42/80/52/706428052.db2.gz ZPTLMEICBFXNGR-HIFPTAJRSA-N 2 2 346.460 1.076 20 0 EDADLP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999008378 706428068 /nfs/dbraw/zinc/42/80/68/706428068.db2.gz WWVUOANYYQBIIS-IUDNXUCKSA-N 2 2 343.431 1.521 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000999045344 706486675 /nfs/dbraw/zinc/48/66/75/706486675.db2.gz NLPJNABMYYRGBS-MRXNPFEDSA-N 2 2 334.464 1.740 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999143309 706556700 /nfs/dbraw/zinc/55/67/00/706556700.db2.gz GFJQHCUFFIEKRC-GJZGRUSLSA-N 2 2 335.452 1.331 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999143309 706556702 /nfs/dbraw/zinc/55/67/02/706556702.db2.gz GFJQHCUFFIEKRC-GJZGRUSLSA-N 2 2 335.452 1.331 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712446 706818147 /nfs/dbraw/zinc/81/81/47/706818147.db2.gz ZYMJROPBMCVSRI-JLSDUUJJSA-N 2 2 340.427 1.806 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712446 706818149 /nfs/dbraw/zinc/81/81/49/706818149.db2.gz ZYMJROPBMCVSRI-JLSDUUJJSA-N 2 2 340.427 1.806 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)C1CCCCC1 ZINC001032652187 706588535 /nfs/dbraw/zinc/58/85/35/706588535.db2.gz NEUCYNBENYYAHY-YESZJQIVSA-N 2 2 332.448 1.179 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C1CCCCC1 ZINC001032652187 706588538 /nfs/dbraw/zinc/58/85/38/706588538.db2.gz NEUCYNBENYYAHY-YESZJQIVSA-N 2 2 332.448 1.179 20 0 EDADLP CCc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999365049 706878522 /nfs/dbraw/zinc/87/85/22/706878522.db2.gz PBPAEKIUCYYYDL-KBPBESRZSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999365049 706878526 /nfs/dbraw/zinc/87/85/26/706878526.db2.gz PBPAEKIUCYYYDL-KBPBESRZSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999365629 706879443 /nfs/dbraw/zinc/87/94/43/706879443.db2.gz QGQJQOBUTHBGDJ-TZMCWYRMSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999365629 706879447 /nfs/dbraw/zinc/87/94/47/706879447.db2.gz QGQJQOBUTHBGDJ-TZMCWYRMSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000999413166 706922599 /nfs/dbraw/zinc/92/25/99/706922599.db2.gz RGLCJCZJNZFFNI-ARFHVFGLSA-N 2 2 340.431 1.392 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999425406 706932056 /nfs/dbraw/zinc/93/20/56/706932056.db2.gz DVCHMWZCQJYIBW-QDIHITRGSA-N 2 2 342.447 1.036 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)no1 ZINC000999425968 706932933 /nfs/dbraw/zinc/93/29/33/706932933.db2.gz NNDPOLINQSCCPP-AHNOJICISA-N 2 2 343.431 1.599 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000999500428 706998115 /nfs/dbraw/zinc/99/81/15/706998115.db2.gz BBAAJSBVEYKZGE-DZGCQCFKSA-N 2 2 341.415 1.036 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)C2)o1 ZINC000999556087 707054498 /nfs/dbraw/zinc/05/44/98/707054498.db2.gz HUVVRAOBYPTSFF-ZDUSSCGKSA-N 2 2 347.419 1.427 20 0 EDADLP O=C(N1CCC[C@@H]([NH2+]Cc2csnn2)C1)C12CCC[NH+]1CCC2 ZINC000999599204 707101709 /nfs/dbraw/zinc/10/17/09/707101709.db2.gz XHAPLYIWFHYEAG-CYBMUJFWSA-N 2 2 335.477 1.247 20 0 EDADLP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)c3c[nH+]ccc3N(C)C)C2)o1 ZINC000999698157 707224870 /nfs/dbraw/zinc/22/48/70/707224870.db2.gz FDRQVZMWJBHTMF-UHFFFAOYSA-N 2 2 343.431 1.837 20 0 EDADLP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000999698171 707224902 /nfs/dbraw/zinc/22/49/02/707224902.db2.gz PSQFSBCSAXJJKR-UHFFFAOYSA-N 2 2 345.451 1.078 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033266002 707291192 /nfs/dbraw/zinc/29/11/92/707291192.db2.gz LZOHOAUYJQYSPW-INIZCTEOSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033266002 707291197 /nfs/dbraw/zinc/29/11/97/707291197.db2.gz LZOHOAUYJQYSPW-INIZCTEOSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033266740 707294189 /nfs/dbraw/zinc/29/41/89/707294189.db2.gz QZKCACVHCGTYEE-OAHLLOKOSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033266740 707294195 /nfs/dbraw/zinc/29/41/95/707294195.db2.gz QZKCACVHCGTYEE-OAHLLOKOSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000999753441 707354827 /nfs/dbraw/zinc/35/48/27/707354827.db2.gz MMJYWEVGLHSOFW-UHFFFAOYSA-N 2 2 328.420 1.138 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000999753501 707355189 /nfs/dbraw/zinc/35/51/89/707355189.db2.gz NLPGPHWUJBHXDE-UHFFFAOYSA-N 2 2 328.420 1.138 20 0 EDADLP Cc1nc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)c(C)o1 ZINC000999755355 707357288 /nfs/dbraw/zinc/35/72/88/707357288.db2.gz VZLJXLWFQBIGNW-UHFFFAOYSA-N 2 2 331.420 1.645 20 0 EDADLP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000999795409 707366486 /nfs/dbraw/zinc/36/64/86/707366486.db2.gz YTXPBBQMBJPSEM-GDBMZVCRSA-N 2 2 349.504 1.493 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(C)C)C1 ZINC000999800486 707371546 /nfs/dbraw/zinc/37/15/46/707371546.db2.gz PKDXJIMWMPOCFW-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(C)C)C1 ZINC000999800486 707371551 /nfs/dbraw/zinc/37/15/51/707371551.db2.gz PKDXJIMWMPOCFW-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+][C@@H](C)c2csnn2)C1 ZINC000999836193 707471340 /nfs/dbraw/zinc/47/13/40/707471340.db2.gz IWOGUYRPRWJQFH-PKSQDBQZSA-N 2 2 334.449 1.383 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccon1 ZINC001004894089 707575966 /nfs/dbraw/zinc/57/59/66/707575966.db2.gz FFOLGQMLUHQAQR-GOEBONIOSA-N 2 2 331.420 1.739 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999972727 707584841 /nfs/dbraw/zinc/58/48/41/707584841.db2.gz INKRPPZPFFAEHS-CVEARBPZSA-N 2 2 349.479 1.581 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999972727 707584844 /nfs/dbraw/zinc/58/48/44/707584844.db2.gz INKRPPZPFFAEHS-CVEARBPZSA-N 2 2 349.479 1.581 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1csnn1 ZINC001004902929 707592888 /nfs/dbraw/zinc/59/28/88/707592888.db2.gz RTDFAQBHUCHGBF-HIFRSBDPSA-N 2 2 348.476 1.602 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033201389 707612142 /nfs/dbraw/zinc/61/21/42/707612142.db2.gz BROOZLAQLYOEAB-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033201389 707612143 /nfs/dbraw/zinc/61/21/43/707612143.db2.gz BROOZLAQLYOEAB-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999994649 707672848 /nfs/dbraw/zinc/67/28/48/707672848.db2.gz VXKWVISEVLHLIX-GOEBONIOSA-N 2 2 327.444 1.180 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999994649 707672849 /nfs/dbraw/zinc/67/28/49/707672849.db2.gz VXKWVISEVLHLIX-GOEBONIOSA-N 2 2 327.444 1.180 20 0 EDADLP C[C@H]([NH2+]Cc1cnns1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004952337 707734270 /nfs/dbraw/zinc/73/42/70/707734270.db2.gz HKDLQQMLBAMVIP-FZMZJTMJSA-N 2 2 334.449 1.363 20 0 EDADLP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC001032732418 707737303 /nfs/dbraw/zinc/73/73/03/707737303.db2.gz BIDDMYKIFHIHGQ-YESZJQIVSA-N 2 2 332.448 1.063 20 0 EDADLP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC001032732418 707737307 /nfs/dbraw/zinc/73/73/07/707737307.db2.gz BIDDMYKIFHIHGQ-YESZJQIVSA-N 2 2 332.448 1.063 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033398949 707741576 /nfs/dbraw/zinc/74/15/76/707741576.db2.gz ZGCCWLLZRMXLOH-QGZVFWFLSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033398949 707741577 /nfs/dbraw/zinc/74/15/77/707741577.db2.gz ZGCCWLLZRMXLOH-QGZVFWFLSA-N 2 2 333.480 1.278 20 0 EDADLP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033390919 707766736 /nfs/dbraw/zinc/76/67/36/707766736.db2.gz NOOZXRDBPBVKCK-KRWDZBQOSA-N 2 2 334.439 1.595 20 0 EDADLP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033390919 707766740 /nfs/dbraw/zinc/76/67/40/707766740.db2.gz NOOZXRDBPBVKCK-KRWDZBQOSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004973987 707803536 /nfs/dbraw/zinc/80/35/36/707803536.db2.gz GCOOWGAQEWKFRZ-GDBMZVCRSA-N 2 2 344.463 1.256 20 0 EDADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)co1 ZINC001004980613 707823200 /nfs/dbraw/zinc/82/32/00/707823200.db2.gz KTYUJDNNWWWPTM-GUYCJALGSA-N 2 2 345.447 1.818 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)on1 ZINC001033425541 707844865 /nfs/dbraw/zinc/84/48/65/707844865.db2.gz KAYAYHCSOGFKGZ-HNNXBMFYSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)on1 ZINC001033425541 707844868 /nfs/dbraw/zinc/84/48/68/707844868.db2.gz KAYAYHCSOGFKGZ-HNNXBMFYSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)on1 ZINC001033425541 707844871 /nfs/dbraw/zinc/84/48/71/707844871.db2.gz KAYAYHCSOGFKGZ-HNNXBMFYSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)on1 ZINC001033425541 707844874 /nfs/dbraw/zinc/84/48/74/707844874.db2.gz KAYAYHCSOGFKGZ-HNNXBMFYSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1nnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001004989143 707847673 /nfs/dbraw/zinc/84/76/73/707847673.db2.gz FOIOUKVGXSHHQF-IUODEOHRSA-N 2 2 345.451 1.177 20 0 EDADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033426732 707848985 /nfs/dbraw/zinc/84/89/85/707848985.db2.gz UFHRICAROHPQRQ-AWEZNQCLSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033426732 707848987 /nfs/dbraw/zinc/84/89/87/707848987.db2.gz UFHRICAROHPQRQ-AWEZNQCLSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](Cc2ccns2)C1 ZINC001033426732 707848989 /nfs/dbraw/zinc/84/89/89/707848989.db2.gz UFHRICAROHPQRQ-AWEZNQCLSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@H]1CC[NH+](Cc2ccns2)C1 ZINC001033426732 707848990 /nfs/dbraw/zinc/84/89/90/707848990.db2.gz UFHRICAROHPQRQ-AWEZNQCLSA-N 2 2 336.505 1.908 20 0 EDADLP Cc1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)on1 ZINC001004998958 707898364 /nfs/dbraw/zinc/89/83/64/707898364.db2.gz CLPHKUQFGPMMQT-GDBMZVCRSA-N 2 2 331.420 1.739 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001033457893 707908519 /nfs/dbraw/zinc/90/85/19/707908519.db2.gz MBTDUCOIJXOZEO-RHSMWYFYSA-N 2 2 346.406 1.358 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001033457893 707908524 /nfs/dbraw/zinc/90/85/24/707908524.db2.gz MBTDUCOIJXOZEO-RHSMWYFYSA-N 2 2 346.406 1.358 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476810 707938439 /nfs/dbraw/zinc/93/84/39/707938439.db2.gz YBYGFRKFDMVWEJ-KRWDZBQOSA-N 2 2 347.507 1.668 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476810 707938443 /nfs/dbraw/zinc/93/84/43/707938443.db2.gz YBYGFRKFDMVWEJ-KRWDZBQOSA-N 2 2 347.507 1.668 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]cn3C)C2)cn1 ZINC001000816211 708069058 /nfs/dbraw/zinc/06/90/58/708069058.db2.gz BZEGVNOILJGEEI-HNNXBMFYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC001005181749 708127092 /nfs/dbraw/zinc/12/70/92/708127092.db2.gz XVKYOKULAGZZDK-MRXNPFEDSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)nc1 ZINC001005181749 708127094 /nfs/dbraw/zinc/12/70/94/708127094.db2.gz XVKYOKULAGZZDK-MRXNPFEDSA-N 2 2 331.464 1.302 20 0 EDADLP CC(C)n1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC001005181766 708127240 /nfs/dbraw/zinc/12/72/40/708127240.db2.gz YIVWXNLQKRZLOM-QGZVFWFLSA-N 2 2 348.495 1.376 20 0 EDADLP CC(C)n1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)nn1 ZINC001005181766 708127243 /nfs/dbraw/zinc/12/72/43/708127243.db2.gz YIVWXNLQKRZLOM-QGZVFWFLSA-N 2 2 348.495 1.376 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)c1ccc(F)cc1 ZINC001032814621 708146578 /nfs/dbraw/zinc/14/65/78/708146578.db2.gz HYUDHGYPJSTOEA-ULQDDVLXSA-N 2 2 344.390 1.041 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)c1ccc(F)cc1 ZINC001032814621 708146580 /nfs/dbraw/zinc/14/65/80/708146580.db2.gz HYUDHGYPJSTOEA-ULQDDVLXSA-N 2 2 344.390 1.041 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033594845 708296601 /nfs/dbraw/zinc/29/66/01/708296601.db2.gz RGDQWVJKXOUKKU-HNNXBMFYSA-N 2 2 334.489 1.580 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033594845 708296605 /nfs/dbraw/zinc/29/66/05/708296605.db2.gz RGDQWVJKXOUKKU-HNNXBMFYSA-N 2 2 334.489 1.580 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001823531 708325649 /nfs/dbraw/zinc/32/56/49/708325649.db2.gz ZWXFNUWDIKXJRU-ZFWWWQNUSA-N 2 2 334.464 1.693 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033621440 708354617 /nfs/dbraw/zinc/35/46/17/708354617.db2.gz WDNSVFYMRYNEPT-KRWDZBQOSA-N 2 2 342.443 1.486 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033621440 708354620 /nfs/dbraw/zinc/35/46/20/708354620.db2.gz WDNSVFYMRYNEPT-KRWDZBQOSA-N 2 2 342.443 1.486 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033656626 708425804 /nfs/dbraw/zinc/42/58/04/708425804.db2.gz CPHQPFKDDTUOHD-OAHLLOKOSA-N 2 2 331.420 1.475 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033656626 708425806 /nfs/dbraw/zinc/42/58/06/708425806.db2.gz CPHQPFKDDTUOHD-OAHLLOKOSA-N 2 2 331.420 1.475 20 0 EDADLP CC(C)c1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033659659 708471506 /nfs/dbraw/zinc/47/15/06/708471506.db2.gz DYQQNVIQCGPUSM-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033659659 708471507 /nfs/dbraw/zinc/47/15/07/708471507.db2.gz DYQQNVIQCGPUSM-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001033659659 708471509 /nfs/dbraw/zinc/47/15/09/708471509.db2.gz DYQQNVIQCGPUSM-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033659659 708471511 /nfs/dbraw/zinc/47/15/11/708471511.db2.gz DYQQNVIQCGPUSM-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033684082 708496300 /nfs/dbraw/zinc/49/63/00/708496300.db2.gz CQJSGOSFWXJJNN-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033684082 708496302 /nfs/dbraw/zinc/49/63/02/708496302.db2.gz CQJSGOSFWXJJNN-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033684082 708496305 /nfs/dbraw/zinc/49/63/05/708496305.db2.gz CQJSGOSFWXJJNN-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033684082 708496308 /nfs/dbraw/zinc/49/63/08/708496308.db2.gz CQJSGOSFWXJJNN-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP COc1ccc(CC[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001033705414 708535303 /nfs/dbraw/zinc/53/53/03/708535303.db2.gz GXTXDHGKASYNTR-KRWDZBQOSA-N 2 2 342.443 1.667 20 0 EDADLP COc1ccc(CC[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001033705414 708535308 /nfs/dbraw/zinc/53/53/08/708535308.db2.gz GXTXDHGKASYNTR-KRWDZBQOSA-N 2 2 342.443 1.667 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001033780986 708688040 /nfs/dbraw/zinc/68/80/40/708688040.db2.gz PBNNMLDELGBSCO-RTBURBONSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001033780986 708688043 /nfs/dbraw/zinc/68/80/43/708688043.db2.gz PBNNMLDELGBSCO-RTBURBONSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001033780986 708688044 /nfs/dbraw/zinc/68/80/44/708688044.db2.gz PBNNMLDELGBSCO-RTBURBONSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001033780986 708688047 /nfs/dbraw/zinc/68/80/47/708688047.db2.gz PBNNMLDELGBSCO-RTBURBONSA-N 2 2 345.487 1.748 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3nccs3)CC2)CC[N@@H+]1C ZINC001005414123 708930768 /nfs/dbraw/zinc/93/07/68/708930768.db2.gz ZTKDSPOIFGVTNR-UKRRQHHQSA-N 2 2 336.505 1.906 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3nccs3)CC2)CC[N@H+]1C ZINC001005414123 708930772 /nfs/dbraw/zinc/93/07/72/708930772.db2.gz ZTKDSPOIFGVTNR-UKRRQHHQSA-N 2 2 336.505 1.906 20 0 EDADLP Cc1nonc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005407133 708937261 /nfs/dbraw/zinc/93/72/61/708937261.db2.gz MNSLVKJCMUGWPX-UKRRQHHQSA-N 2 2 335.452 1.141 20 0 EDADLP Cc1nonc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005407133 708937263 /nfs/dbraw/zinc/93/72/63/708937263.db2.gz MNSLVKJCMUGWPX-UKRRQHHQSA-N 2 2 335.452 1.141 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001002472555 709005993 /nfs/dbraw/zinc/00/59/93/709005993.db2.gz BXGRHHZZPPHQTO-JSGCOSHPSA-N 2 2 335.452 1.368 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001002472555 709005997 /nfs/dbraw/zinc/00/59/97/709005997.db2.gz BXGRHHZZPPHQTO-JSGCOSHPSA-N 2 2 335.452 1.368 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002522089 709075841 /nfs/dbraw/zinc/07/58/41/709075841.db2.gz GMSXZOQDOVHLPN-GOSISDBHSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002522089 709075846 /nfs/dbraw/zinc/07/58/46/709075846.db2.gz GMSXZOQDOVHLPN-GOSISDBHSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001002535019 709092540 /nfs/dbraw/zinc/09/25/40/709092540.db2.gz OCCFSWCSZNAWQJ-SFHVURJKSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001002535019 709092543 /nfs/dbraw/zinc/09/25/43/709092543.db2.gz OCCFSWCSZNAWQJ-SFHVURJKSA-N 2 2 349.450 1.545 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033939937 709145481 /nfs/dbraw/zinc/14/54/81/709145481.db2.gz FBNUUGJZZVLLLM-KRWDZBQOSA-N 2 2 334.464 1.748 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033939937 709145484 /nfs/dbraw/zinc/14/54/84/709145484.db2.gz FBNUUGJZZVLLLM-KRWDZBQOSA-N 2 2 334.464 1.748 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033940302 709145711 /nfs/dbraw/zinc/14/57/11/709145711.db2.gz HBGVVBWKXYFVAF-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033940302 709145712 /nfs/dbraw/zinc/14/57/12/709145712.db2.gz HBGVVBWKXYFVAF-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034042850 709293436 /nfs/dbraw/zinc/29/34/36/709293436.db2.gz QQSDFEGJDCUDPY-HZPDHXFCSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034042850 709293437 /nfs/dbraw/zinc/29/34/37/709293437.db2.gz QQSDFEGJDCUDPY-HZPDHXFCSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001034042850 709293439 /nfs/dbraw/zinc/29/34/39/709293439.db2.gz QQSDFEGJDCUDPY-HZPDHXFCSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001034042850 709293441 /nfs/dbraw/zinc/29/34/41/709293441.db2.gz QQSDFEGJDCUDPY-HZPDHXFCSA-N 2 2 346.475 1.927 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)oc1C ZINC001002853332 709463447 /nfs/dbraw/zinc/46/34/47/709463447.db2.gz XZPXPQGMCOQQMM-CZUORRHYSA-N 2 2 334.464 1.712 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)oc1C ZINC001002853332 709463448 /nfs/dbraw/zinc/46/34/48/709463448.db2.gz XZPXPQGMCOQQMM-CZUORRHYSA-N 2 2 334.464 1.712 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002853338 709463471 /nfs/dbraw/zinc/46/34/71/709463471.db2.gz YJVOYTHLLXKJQO-GDBMZVCRSA-N 2 2 333.480 1.324 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002853338 709463472 /nfs/dbraw/zinc/46/34/72/709463472.db2.gz YJVOYTHLLXKJQO-GDBMZVCRSA-N 2 2 333.480 1.324 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001034218052 709573717 /nfs/dbraw/zinc/57/37/17/709573717.db2.gz YLHPDUUKEIIZJR-BHYGNILZSA-N 2 2 348.495 1.016 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001034218052 709573723 /nfs/dbraw/zinc/57/37/23/709573723.db2.gz YLHPDUUKEIIZJR-BHYGNILZSA-N 2 2 348.495 1.016 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cn(C)nn3)C2)CC[NH+]1C ZINC001034218052 709573726 /nfs/dbraw/zinc/57/37/26/709573726.db2.gz YLHPDUUKEIIZJR-BHYGNILZSA-N 2 2 348.495 1.016 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cn(C)nn3)C2)CC[NH+]1C ZINC001034218052 709573729 /nfs/dbraw/zinc/57/37/29/709573729.db2.gz YLHPDUUKEIIZJR-BHYGNILZSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[N@H+](C[C@@H]3CCOC3)C2)c[nH+]1 ZINC001034260766 709647916 /nfs/dbraw/zinc/64/79/16/709647916.db2.gz NRDXYXWJRCOCNL-DLBZAZTESA-N 2 2 348.491 1.934 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H]3CCOC3)C2)c[nH+]1 ZINC001034260766 709647917 /nfs/dbraw/zinc/64/79/17/709647917.db2.gz NRDXYXWJRCOCNL-DLBZAZTESA-N 2 2 348.491 1.934 20 0 EDADLP Cn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cn1 ZINC001003068705 709920448 /nfs/dbraw/zinc/92/04/48/709920448.db2.gz YXPJRFMGIJHOGH-HZPDHXFCSA-N 2 2 342.447 1.070 20 0 EDADLP Cn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cn1 ZINC001003068705 709920449 /nfs/dbraw/zinc/92/04/49/709920449.db2.gz YXPJRFMGIJHOGH-HZPDHXFCSA-N 2 2 342.447 1.070 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003157689 710060508 /nfs/dbraw/zinc/06/05/08/710060508.db2.gz FIQHMKIEJBVMAB-GOEBONIOSA-N 2 2 331.464 1.603 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003157689 710060513 /nfs/dbraw/zinc/06/05/13/710060513.db2.gz FIQHMKIEJBVMAB-GOEBONIOSA-N 2 2 331.464 1.603 20 0 EDADLP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)o1 ZINC001003180177 710096589 /nfs/dbraw/zinc/09/65/89/710096589.db2.gz OLOLVRJTGWMQIL-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cccnc2)C1 ZINC001034491623 710112781 /nfs/dbraw/zinc/11/27/81/710112781.db2.gz WIUYRMMSFNLQRP-MRXNPFEDSA-N 2 2 327.432 1.529 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cccnc2)C1 ZINC001034491623 710112785 /nfs/dbraw/zinc/11/27/85/710112785.db2.gz WIUYRMMSFNLQRP-MRXNPFEDSA-N 2 2 327.432 1.529 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CCc2cnn(C)c2)C1 ZINC001034503017 710144487 /nfs/dbraw/zinc/14/44/87/710144487.db2.gz LNKPSSNRABXHQC-MRXNPFEDSA-N 2 2 344.463 1.208 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CCc2cnn(C)c2)C1 ZINC001034503017 710144490 /nfs/dbraw/zinc/14/44/90/710144490.db2.gz LNKPSSNRABXHQC-MRXNPFEDSA-N 2 2 344.463 1.208 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003243630 710166831 /nfs/dbraw/zinc/16/68/31/710166831.db2.gz DLRJVHXWIUEWMY-UHFFFAOYSA-N 2 2 331.464 1.129 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525246 710174970 /nfs/dbraw/zinc/17/49/70/710174970.db2.gz KSZCJRQVGMWYAN-JKSUJKDBSA-N 2 2 346.475 1.974 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525246 710174971 /nfs/dbraw/zinc/17/49/71/710174971.db2.gz KSZCJRQVGMWYAN-JKSUJKDBSA-N 2 2 346.475 1.974 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525246 710174972 /nfs/dbraw/zinc/17/49/72/710174972.db2.gz KSZCJRQVGMWYAN-JKSUJKDBSA-N 2 2 346.475 1.974 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525246 710174973 /nfs/dbraw/zinc/17/49/73/710174973.db2.gz KSZCJRQVGMWYAN-JKSUJKDBSA-N 2 2 346.475 1.974 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034534151 710195574 /nfs/dbraw/zinc/19/55/74/710195574.db2.gz INSYCHWTKWEBLK-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034534151 710195576 /nfs/dbraw/zinc/19/55/76/710195576.db2.gz INSYCHWTKWEBLK-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccn3)C2)C1 ZINC001034534151 710195578 /nfs/dbraw/zinc/19/55/78/710195578.db2.gz INSYCHWTKWEBLK-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccn3)C2)C1 ZINC001034534151 710195581 /nfs/dbraw/zinc/19/55/81/710195581.db2.gz INSYCHWTKWEBLK-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034538586 710211801 /nfs/dbraw/zinc/21/18/01/710211801.db2.gz QTBXQMYRTSJDMP-FUHWJXTLSA-N 2 2 347.507 1.765 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034538586 710211802 /nfs/dbraw/zinc/21/18/02/710211802.db2.gz QTBXQMYRTSJDMP-FUHWJXTLSA-N 2 2 347.507 1.765 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034538586 710211805 /nfs/dbraw/zinc/21/18/05/710211805.db2.gz QTBXQMYRTSJDMP-FUHWJXTLSA-N 2 2 347.507 1.765 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034538586 710211808 /nfs/dbraw/zinc/21/18/08/710211808.db2.gz QTBXQMYRTSJDMP-FUHWJXTLSA-N 2 2 347.507 1.765 20 0 EDADLP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000922190927 710386889 /nfs/dbraw/zinc/38/68/89/710386889.db2.gz QRVDMYDDDNYGCN-IRXDYDNUSA-N 2 2 348.516 1.607 20 0 EDADLP C[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000922190927 710386890 /nfs/dbraw/zinc/38/68/90/710386890.db2.gz QRVDMYDDDNYGCN-IRXDYDNUSA-N 2 2 348.516 1.607 20 0 EDADLP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000922190927 710386891 /nfs/dbraw/zinc/38/68/91/710386891.db2.gz QRVDMYDDDNYGCN-IRXDYDNUSA-N 2 2 348.516 1.607 20 0 EDADLP C[NH+]1CC[C@H]1CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000922190927 710386892 /nfs/dbraw/zinc/38/68/92/710386892.db2.gz QRVDMYDDDNYGCN-IRXDYDNUSA-N 2 2 348.516 1.607 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1)C2 ZINC001005622803 710739456 /nfs/dbraw/zinc/73/94/56/710739456.db2.gz LPGNIUIVWKTZRQ-TZMCWYRMSA-N 2 2 334.464 1.127 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1)CC2 ZINC001005622803 710739462 /nfs/dbraw/zinc/73/94/62/710739462.db2.gz LPGNIUIVWKTZRQ-TZMCWYRMSA-N 2 2 334.464 1.127 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)sc1C ZINC001032944192 710919298 /nfs/dbraw/zinc/91/92/98/710919298.db2.gz JCRKCORPABLETA-GJZGRUSLSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)sc1C ZINC001032944192 710919301 /nfs/dbraw/zinc/91/93/01/710919301.db2.gz JCRKCORPABLETA-GJZGRUSLSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)sc1C ZINC001032944192 710919304 /nfs/dbraw/zinc/91/93/04/710919304.db2.gz JCRKCORPABLETA-GJZGRUSLSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)sc1C ZINC001032944192 710919307 /nfs/dbraw/zinc/91/93/07/710919307.db2.gz JCRKCORPABLETA-GJZGRUSLSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744141 710946574 /nfs/dbraw/zinc/94/65/74/710946574.db2.gz MHFUCEMGMAIKRG-HAQNSBGRSA-N 2 2 334.449 1.329 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001034744169 710949566 /nfs/dbraw/zinc/94/95/66/710949566.db2.gz NIRSOIQIZUMGEO-IIAWOOMASA-N 2 2 334.464 1.784 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CCO1 ZINC001034744302 710951036 /nfs/dbraw/zinc/95/10/36/710951036.db2.gz PEMGPMTUBJQEJH-QKPAOTATSA-N 2 2 334.464 1.784 20 0 EDADLP CCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001032971950 711035664 /nfs/dbraw/zinc/03/56/64/711035664.db2.gz BPWRIDYKUSGKEE-OALUTQOASA-N 2 2 345.487 1.612 20 0 EDADLP CCc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001032971950 711035668 /nfs/dbraw/zinc/03/56/68/711035668.db2.gz BPWRIDYKUSGKEE-OALUTQOASA-N 2 2 345.487 1.612 20 0 EDADLP CCc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001032971950 711035672 /nfs/dbraw/zinc/03/56/72/711035672.db2.gz BPWRIDYKUSGKEE-OALUTQOASA-N 2 2 345.487 1.612 20 0 EDADLP CCc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001032971950 711035676 /nfs/dbraw/zinc/03/56/76/711035676.db2.gz BPWRIDYKUSGKEE-OALUTQOASA-N 2 2 345.487 1.612 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC001005713856 711108268 /nfs/dbraw/zinc/10/82/68/711108268.db2.gz PKUOFHLIXUYAGG-UHFFFAOYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001034936571 711359769 /nfs/dbraw/zinc/35/97/69/711359769.db2.gz RLWCOSWCDSZWHN-HUUCEWRRSA-N 2 2 335.452 1.331 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001034936571 711359776 /nfs/dbraw/zinc/35/97/76/711359776.db2.gz RLWCOSWCDSZWHN-HUUCEWRRSA-N 2 2 335.452 1.331 20 0 EDADLP Cc1conc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001034958135 711431303 /nfs/dbraw/zinc/43/13/03/711431303.db2.gz BALMRJZZFUCMHG-ZBFHGGJFSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC001004159458 711583875 /nfs/dbraw/zinc/58/38/75/711583875.db2.gz BMSLNKLHIJWFIB-UHFFFAOYSA-N 2 2 343.431 1.838 20 0 EDADLP CCc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)nc(C)[nH+]1 ZINC001061425136 711654051 /nfs/dbraw/zinc/65/40/51/711654051.db2.gz LIZVDGMQXMPMMA-SJORKVTESA-N 2 2 345.491 1.917 20 0 EDADLP CCc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)nc(C)[nH+]1 ZINC001061425136 711654052 /nfs/dbraw/zinc/65/40/52/711654052.db2.gz LIZVDGMQXMPMMA-SJORKVTESA-N 2 2 345.491 1.917 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033126106 711866976 /nfs/dbraw/zinc/86/69/76/711866976.db2.gz JZZPIKAIJNEEAL-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033126106 711866978 /nfs/dbraw/zinc/86/69/78/711866978.db2.gz JZZPIKAIJNEEAL-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033126106 711866980 /nfs/dbraw/zinc/86/69/80/711866980.db2.gz JZZPIKAIJNEEAL-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033126106 711866981 /nfs/dbraw/zinc/86/69/81/711866981.db2.gz JZZPIKAIJNEEAL-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033126387 711889573 /nfs/dbraw/zinc/88/95/73/711889573.db2.gz MNLWTNPWILFLMJ-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033126387 711889575 /nfs/dbraw/zinc/88/95/75/711889575.db2.gz MNLWTNPWILFLMJ-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033126387 711889577 /nfs/dbraw/zinc/88/95/77/711889577.db2.gz MNLWTNPWILFLMJ-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033126387 711889580 /nfs/dbraw/zinc/88/95/80/711889580.db2.gz MNLWTNPWILFLMJ-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004499187 711889663 /nfs/dbraw/zinc/88/96/63/711889663.db2.gz QSDOKXUTISREBY-NVXWUHKLSA-N 2 2 348.491 1.437 20 0 EDADLP C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004499187 711889665 /nfs/dbraw/zinc/88/96/65/711889665.db2.gz QSDOKXUTISREBY-NVXWUHKLSA-N 2 2 348.491 1.437 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000558504840 306238679 /nfs/dbraw/zinc/23/86/79/306238679.db2.gz IQCLUIKWRCCRLD-SFHVURJKSA-N 2 2 341.459 1.068 20 0 EDADLP C[C@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333427906 299085589 /nfs/dbraw/zinc/08/55/89/299085589.db2.gz UFORLLSZLSWVPL-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000356899871 282249806 /nfs/dbraw/zinc/24/98/06/282249806.db2.gz LBWINMGYGXRXAR-BFYDXBDKSA-N 2 2 325.497 1.674 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000356899871 282249813 /nfs/dbraw/zinc/24/98/13/282249813.db2.gz LBWINMGYGXRXAR-BFYDXBDKSA-N 2 2 325.497 1.674 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000328924686 539377754 /nfs/dbraw/zinc/37/77/54/539377754.db2.gz DLTUXMQJSYIJBI-SJLPKXTDSA-N 2 2 346.475 1.549 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1COc2ccccc21 ZINC000348769115 539381994 /nfs/dbraw/zinc/38/19/94/539381994.db2.gz CVDOUKIEYJLUCU-HBPKQKSZSA-N 2 2 334.460 1.611 20 0 EDADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1F ZINC000179607385 530015766 /nfs/dbraw/zinc/01/57/66/530015766.db2.gz JXRJOXSWOYPGMQ-UHFFFAOYSA-N 2 2 329.423 2.000 20 0 EDADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1F ZINC000179607385 530015768 /nfs/dbraw/zinc/01/57/68/530015768.db2.gz JXRJOXSWOYPGMQ-UHFFFAOYSA-N 2 2 329.423 2.000 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(N3CCC3)nc2)CC1 ZINC000562526561 306301295 /nfs/dbraw/zinc/30/12/95/306301295.db2.gz WKKFHCKTFAEKKJ-UHFFFAOYSA-N 2 2 331.464 1.048 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000412692885 304027470 /nfs/dbraw/zinc/02/74/70/304027470.db2.gz DXQKIZSVNJGEGY-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000412692885 304027471 /nfs/dbraw/zinc/02/74/71/304027471.db2.gz DXQKIZSVNJGEGY-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC(OCCC[NH3+])CC3)[nH+]c12 ZINC000563202988 306323033 /nfs/dbraw/zinc/32/30/33/306323033.db2.gz PNMZBWKTSXVRKT-UHFFFAOYSA-N 2 2 330.432 1.542 20 0 EDADLP Cc1cccc(CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000281651087 540077658 /nfs/dbraw/zinc/07/76/58/540077658.db2.gz RUEQUGBYHYFQOL-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP Cc1cccc(CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000281651087 540077660 /nfs/dbraw/zinc/07/76/60/540077660.db2.gz RUEQUGBYHYFQOL-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ncc[nH]1 ZINC000286237337 540083597 /nfs/dbraw/zinc/08/35/97/540083597.db2.gz TVBIBKVIPJHPRE-YOEHRIQHSA-N 2 2 341.459 1.958 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ncc[nH]1 ZINC000286237337 540083600 /nfs/dbraw/zinc/08/36/00/540083600.db2.gz TVBIBKVIPJHPRE-YOEHRIQHSA-N 2 2 341.459 1.958 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn(C(C)(C)C)nn3)CC2)CC1 ZINC000190784268 540171904 /nfs/dbraw/zinc/17/19/04/540171904.db2.gz HDGDERUHWKASTB-UHFFFAOYSA-N 2 2 348.495 1.322 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000563364146 306330108 /nfs/dbraw/zinc/33/01/08/306330108.db2.gz LJTNNKQJNKEJPG-WBVHZDCISA-N 2 2 342.867 1.732 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000563364146 306330109 /nfs/dbraw/zinc/33/01/09/306330109.db2.gz LJTNNKQJNKEJPG-WBVHZDCISA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000563364146 306330110 /nfs/dbraw/zinc/33/01/10/306330110.db2.gz LJTNNKQJNKEJPG-WBVHZDCISA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000563364146 306330111 /nfs/dbraw/zinc/33/01/11/306330111.db2.gz LJTNNKQJNKEJPG-WBVHZDCISA-N 2 2 342.867 1.732 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)CC1 ZINC000072630394 138208133 /nfs/dbraw/zinc/20/81/33/138208133.db2.gz SCHWSKSOTDKKDG-WMLDXEAASA-N 2 2 341.496 1.497 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)CC1 ZINC000072630394 138208134 /nfs/dbraw/zinc/20/81/34/138208134.db2.gz SCHWSKSOTDKKDG-WMLDXEAASA-N 2 2 341.496 1.497 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)CC1 ZINC000072858050 138211384 /nfs/dbraw/zinc/21/13/84/138211384.db2.gz QKSGXBVWWWPEHY-OAHLLOKOSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)CC)C2)CC1 ZINC000072858050 138211387 /nfs/dbraw/zinc/21/13/87/138211387.db2.gz QKSGXBVWWWPEHY-OAHLLOKOSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000072858050 138211390 /nfs/dbraw/zinc/21/13/90/138211390.db2.gz QKSGXBVWWWPEHY-OAHLLOKOSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000072858050 138211392 /nfs/dbraw/zinc/21/13/92/138211392.db2.gz QKSGXBVWWWPEHY-OAHLLOKOSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000072975810 138212262 /nfs/dbraw/zinc/21/22/62/138212262.db2.gz CTAGNRUKSJDMDM-KRWDZBQOSA-N 2 2 349.475 1.672 20 0 EDADLP CCOC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000072975810 138212264 /nfs/dbraw/zinc/21/22/64/138212264.db2.gz CTAGNRUKSJDMDM-KRWDZBQOSA-N 2 2 349.475 1.672 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244238 138308007 /nfs/dbraw/zinc/30/80/07/138308007.db2.gz KDXXSBGKQWULMT-HNNXBMFYSA-N 2 2 336.436 1.224 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000111244516 138308014 /nfs/dbraw/zinc/30/80/14/138308014.db2.gz MPKXCOLUIKYHGC-UHFFFAOYSA-N 2 2 348.447 1.322 20 0 EDADLP C[NH+](C)C[C@@H](O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000131418539 138359066 /nfs/dbraw/zinc/35/90/66/138359066.db2.gz IBMRAJXDJIDTQR-YESZJQIVSA-N 2 2 341.883 1.224 20 0 EDADLP C[NH+](C)C[C@@H](O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000131418539 138359067 /nfs/dbraw/zinc/35/90/67/138359067.db2.gz IBMRAJXDJIDTQR-YESZJQIVSA-N 2 2 341.883 1.224 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@H](C)[NH+]3CCSCC3)CC2)[nH+]1 ZINC000132206223 138372840 /nfs/dbraw/zinc/37/28/40/138372840.db2.gz SJVKTLJLGARGNF-HNNXBMFYSA-N 2 2 348.516 1.912 20 0 EDADLP CC(=O)Nc1ccccc1C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000563805907 306347880 /nfs/dbraw/zinc/34/78/80/306347880.db2.gz MPEWMJAYEMKRJR-CPUCHLNUSA-N 2 2 335.448 1.205 20 0 EDADLP CCn1cc[nH+]c1CN(C[C@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000564329478 306358800 /nfs/dbraw/zinc/35/88/00/306358800.db2.gz UOPKULRYDAHIKC-IRXDYDNUSA-N 3 2 331.508 1.847 20 0 EDADLP C[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000564649716 306361809 /nfs/dbraw/zinc/36/18/09/306361809.db2.gz QGMWKBQQIXWLQP-BBRMVZONSA-N 2 2 343.468 1.566 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(F)cc1N(C)C ZINC000268896226 299293186 /nfs/dbraw/zinc/29/31/86/299293186.db2.gz KDIQAYYTELJAHL-XJKSGUPXSA-N 2 2 336.455 1.882 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(F)cc1N(C)C ZINC000268896226 299293190 /nfs/dbraw/zinc/29/31/90/299293190.db2.gz KDIQAYYTELJAHL-XJKSGUPXSA-N 2 2 336.455 1.882 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000189748863 237213037 /nfs/dbraw/zinc/21/30/37/237213037.db2.gz AQARHEJOLXGWBZ-RRGWEWPQSA-N 2 2 340.427 1.411 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000565219444 306379060 /nfs/dbraw/zinc/37/90/60/306379060.db2.gz VSJYQSBGBYOJKO-AWEZNQCLSA-N 2 2 325.478 1.931 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000414326462 304106390 /nfs/dbraw/zinc/10/63/90/304106390.db2.gz YCZGKFNVBFHKIT-QGZVFWFLSA-N 2 2 335.423 1.631 20 0 EDADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1(CC)CC ZINC000565706159 306388994 /nfs/dbraw/zinc/38/89/94/306388994.db2.gz WWBSCWGVXMXBBE-SOUVJXGZSA-N 2 2 326.485 1.255 20 0 EDADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1(CC)CC ZINC000565706159 306388995 /nfs/dbraw/zinc/38/89/95/306388995.db2.gz WWBSCWGVXMXBBE-SOUVJXGZSA-N 2 2 326.485 1.255 20 0 EDADLP COc1cc(NCC[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc(OC)c1 ZINC000414362884 304111847 /nfs/dbraw/zinc/11/18/47/304111847.db2.gz USZBCFFMUYLTAY-UHFFFAOYSA-N 2 2 333.436 1.705 20 0 EDADLP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@H]([NH3+])CC(C)C)CC2)n1 ZINC000414699862 304129338 /nfs/dbraw/zinc/12/93/38/304129338.db2.gz FQAQWGAFJLJHAI-HUUCEWRRSA-N 2 2 339.484 1.658 20 0 EDADLP CO[C@H](C)c1noc(CN2CCC[N@@H+](C[C@H]([NH3+])CC(C)C)CC2)n1 ZINC000414699862 304129340 /nfs/dbraw/zinc/12/93/40/304129340.db2.gz FQAQWGAFJLJHAI-HUUCEWRRSA-N 2 2 339.484 1.658 20 0 EDADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(C[C@H]([NH3+])CC(C)C)CC2)n1 ZINC000414699862 304129343 /nfs/dbraw/zinc/12/93/43/304129343.db2.gz FQAQWGAFJLJHAI-HUUCEWRRSA-N 2 2 339.484 1.658 20 0 EDADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(C[C@H]([NH3+])CC(C)C)CC2)n1 ZINC000414699862 304129346 /nfs/dbraw/zinc/12/93/46/304129346.db2.gz FQAQWGAFJLJHAI-HUUCEWRRSA-N 2 2 339.484 1.658 20 0 EDADLP CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)[NH+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414770122 304138557 /nfs/dbraw/zinc/13/85/57/304138557.db2.gz XTQQJIOFYPMMEY-GBJTYRQASA-N 2 2 326.437 1.334 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414851317 304147922 /nfs/dbraw/zinc/14/79/22/304147922.db2.gz UATLZAXKKHFMFA-GOEBONIOSA-N 2 2 349.475 1.782 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000566786934 306428521 /nfs/dbraw/zinc/42/85/21/306428521.db2.gz HJNGDFSRNJLTSK-QSFKDOLUSA-N 2 2 336.480 1.009 20 0 EDADLP Cc1cc(Br)cn2c(CN(C)[C@H]3C[NH2+]C[C@@H]3O)c[nH+]c12 ZINC000415108723 304160939 /nfs/dbraw/zinc/16/09/39/304160939.db2.gz XLLYOCRECAKNBI-STQMWFEESA-N 2 2 339.237 1.170 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000105064857 204131809 /nfs/dbraw/zinc/13/18/09/204131809.db2.gz CNKJMLHNWOEADS-IAGOWNOFSA-N 2 2 348.495 1.083 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)[nH+]c1 ZINC000106533109 204201686 /nfs/dbraw/zinc/20/16/86/204201686.db2.gz YOIRKUIIQKFHLB-MRXNPFEDSA-N 2 2 348.495 1.127 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)[nH+]c1 ZINC000106533109 204201688 /nfs/dbraw/zinc/20/16/88/204201688.db2.gz YOIRKUIIQKFHLB-MRXNPFEDSA-N 2 2 348.495 1.127 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125294 204338213 /nfs/dbraw/zinc/33/82/13/204338213.db2.gz VBANAIKYLJTZEN-GOSISDBHSA-N 2 2 333.476 1.388 20 0 EDADLP NC(=O)c1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)o1 ZINC000119769802 204299572 /nfs/dbraw/zinc/29/95/72/204299572.db2.gz BNIZKFYWAIBQJF-UHFFFAOYSA-N 2 2 335.327 1.515 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)(N2CCOCC2)C1 ZINC000195459094 139017183 /nfs/dbraw/zinc/01/71/83/139017183.db2.gz APUZVGJTWDSVJS-XYCLOBBJSA-N 2 2 337.508 1.471 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)(N2CCOCC2)C1 ZINC000195459094 139017184 /nfs/dbraw/zinc/01/71/84/139017184.db2.gz APUZVGJTWDSVJS-XYCLOBBJSA-N 2 2 337.508 1.471 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415153938 304166224 /nfs/dbraw/zinc/16/62/24/304166224.db2.gz JNVOFIAWTXXKPW-CQSZACIVSA-N 2 2 331.420 1.939 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000236775964 139031009 /nfs/dbraw/zinc/03/10/09/139031009.db2.gz LPLNONGKXALVAL-INIZCTEOSA-N 2 2 337.439 1.996 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000236894611 139034438 /nfs/dbraw/zinc/03/44/38/139034438.db2.gz CKFMPCSFDYZGPB-YJBOKZPZSA-N 2 2 349.475 1.387 20 0 EDADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1Cl ZINC000237198904 139043807 /nfs/dbraw/zinc/04/38/07/139043807.db2.gz JQJJTMDOGSIQMG-CYBMUJFWSA-N 2 2 327.812 1.207 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110671098 220054612 /nfs/dbraw/zinc/05/46/12/220054612.db2.gz GGCRVISXFQSBOW-SFHVURJKSA-N 2 2 345.487 1.981 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110671098 220054615 /nfs/dbraw/zinc/05/46/15/220054615.db2.gz GGCRVISXFQSBOW-SFHVURJKSA-N 2 2 345.487 1.981 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc(OC)c1 ZINC000237302302 139046953 /nfs/dbraw/zinc/04/69/53/139046953.db2.gz KKWJOFJKQBPLCV-KRWDZBQOSA-N 2 2 333.432 1.100 20 0 EDADLP CC[N@H+](CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000126128121 205042038 /nfs/dbraw/zinc/04/20/38/205042038.db2.gz KZCPKADSQSRKSU-GOSISDBHSA-N 2 2 331.460 1.660 20 0 EDADLP CC[N@@H+](CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000126128121 205042041 /nfs/dbraw/zinc/04/20/41/205042041.db2.gz KZCPKADSQSRKSU-GOSISDBHSA-N 2 2 331.460 1.660 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccco1 ZINC000126637231 205065119 /nfs/dbraw/zinc/06/51/19/205065119.db2.gz LASXIFDEHUGMFI-GJZGRUSLSA-N 2 2 343.431 1.855 20 0 EDADLP C[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCCC[NH2+]1 ZINC000237554257 139053982 /nfs/dbraw/zinc/05/39/82/139053982.db2.gz GEATWTKPHJFYMH-LJQANCHMSA-N 2 2 348.466 1.596 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000237624716 139056156 /nfs/dbraw/zinc/05/61/56/139056156.db2.gz MYVMHQYGBPMPTG-MSOLQXFVSA-N 2 2 331.460 1.627 20 0 EDADLP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000237927447 139064037 /nfs/dbraw/zinc/06/40/37/139064037.db2.gz JYRLTZUNUORNOG-UHFFFAOYSA-N 2 2 331.460 1.797 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238040981 139067331 /nfs/dbraw/zinc/06/73/31/139067331.db2.gz BTZZLFIISBDKKN-XIRDDKMYSA-N 2 2 344.459 1.455 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000238056719 139067798 /nfs/dbraw/zinc/06/77/98/139067798.db2.gz BMHVUVCOXKJTGS-QGZVFWFLSA-N 2 2 349.500 1.230 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000245442341 139075008 /nfs/dbraw/zinc/07/50/08/139075008.db2.gz HYSQNUGGKSHSNY-JYJNAYRXSA-N 2 2 338.496 1.665 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000245442341 139075009 /nfs/dbraw/zinc/07/50/09/139075009.db2.gz HYSQNUGGKSHSNY-JYJNAYRXSA-N 2 2 338.496 1.665 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000245442341 139075010 /nfs/dbraw/zinc/07/50/10/139075010.db2.gz HYSQNUGGKSHSNY-JYJNAYRXSA-N 2 2 338.496 1.665 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000245442341 139075011 /nfs/dbraw/zinc/07/50/11/139075011.db2.gz HYSQNUGGKSHSNY-JYJNAYRXSA-N 2 2 338.496 1.665 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245463416 139075978 /nfs/dbraw/zinc/07/59/78/139075978.db2.gz XIGWIJNXSWDQGV-IEBWSBKVSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245463416 139075979 /nfs/dbraw/zinc/07/59/79/139075979.db2.gz XIGWIJNXSWDQGV-IEBWSBKVSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245463416 139075980 /nfs/dbraw/zinc/07/59/80/139075980.db2.gz XIGWIJNXSWDQGV-IEBWSBKVSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245463416 139075981 /nfs/dbraw/zinc/07/59/81/139075981.db2.gz XIGWIJNXSWDQGV-IEBWSBKVSA-N 2 2 347.503 1.982 20 0 EDADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000155677390 206027562 /nfs/dbraw/zinc/02/75/62/206027562.db2.gz ARKHIODDCVCEKR-AWEZNQCLSA-N 2 2 334.445 1.774 20 0 EDADLP C[C@@H]1CC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156425212 206076278 /nfs/dbraw/zinc/07/62/78/206076278.db2.gz BZYNBCQJKHHKDU-KGLIPLIRSA-N 2 2 333.436 1.487 20 0 EDADLP C[C@@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156425212 206076280 /nfs/dbraw/zinc/07/62/80/206076280.db2.gz BZYNBCQJKHHKDU-KGLIPLIRSA-N 2 2 333.436 1.487 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156984506 206109193 /nfs/dbraw/zinc/10/91/93/206109193.db2.gz HFOHWYKNJXCBOI-GDBMZVCRSA-N 2 2 332.448 1.427 20 0 EDADLP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156984506 206109188 /nfs/dbraw/zinc/10/91/88/206109188.db2.gz HFOHWYKNJXCBOI-GDBMZVCRSA-N 2 2 332.448 1.427 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156984506 206109191 /nfs/dbraw/zinc/10/91/91/206109191.db2.gz HFOHWYKNJXCBOI-GDBMZVCRSA-N 2 2 332.448 1.427 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156984506 206109198 /nfs/dbraw/zinc/10/91/98/206109198.db2.gz HFOHWYKNJXCBOI-GDBMZVCRSA-N 2 2 332.448 1.427 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245900731 139089085 /nfs/dbraw/zinc/08/90/85/139089085.db2.gz FWKDCGCDNSBDIS-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245900731 139089086 /nfs/dbraw/zinc/08/90/86/139089086.db2.gz FWKDCGCDNSBDIS-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000158372565 206187579 /nfs/dbraw/zinc/18/75/79/206187579.db2.gz YBSYKDWSOWOQCO-UHFFFAOYSA-N 2 2 327.432 1.834 20 0 EDADLP C[C@@H](O)CCN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000159185121 206229238 /nfs/dbraw/zinc/22/92/38/206229238.db2.gz ASBMYDUEWRSMFY-PBHICJAKSA-N 2 2 330.432 1.031 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)CC1 ZINC000245943184 139090720 /nfs/dbraw/zinc/09/07/20/139090720.db2.gz VUTXQHQUONYCAY-QAPCUYQASA-N 2 2 348.466 1.865 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)CC1 ZINC000245943184 139090721 /nfs/dbraw/zinc/09/07/21/139090721.db2.gz VUTXQHQUONYCAY-QAPCUYQASA-N 2 2 348.466 1.865 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000158998978 206220781 /nfs/dbraw/zinc/22/07/81/206220781.db2.gz OZGAUDJHVRYVAV-AEFFLSMTSA-N 2 2 346.475 1.570 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000246425246 139107971 /nfs/dbraw/zinc/10/79/71/139107971.db2.gz UOQAAAKNCJJCCR-ZBFHGGJFSA-N 2 2 349.475 1.592 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000246425246 139107972 /nfs/dbraw/zinc/10/79/72/139107972.db2.gz UOQAAAKNCJJCCR-ZBFHGGJFSA-N 2 2 349.475 1.592 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246911761 139126642 /nfs/dbraw/zinc/12/66/42/139126642.db2.gz GHDFRVWBFKIZPS-QRQLOZEOSA-N 2 2 335.492 1.915 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246911761 139126643 /nfs/dbraw/zinc/12/66/43/139126643.db2.gz GHDFRVWBFKIZPS-QRQLOZEOSA-N 2 2 335.492 1.915 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246971508 139128940 /nfs/dbraw/zinc/12/89/40/139128940.db2.gz CMLXTXXSCXQVAZ-BZUAXINKSA-N 2 2 335.452 1.196 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415384082 304210570 /nfs/dbraw/zinc/21/05/70/304210570.db2.gz ULEWJRIJWNKCTC-AWEZNQCLSA-N 2 2 340.383 1.681 20 0 EDADLP Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000171190493 206671542 /nfs/dbraw/zinc/67/15/42/206671542.db2.gz ALXUZXSDUZWUEL-UHFFFAOYSA-N 2 2 329.448 1.157 20 0 EDADLP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091711686 218052880 /nfs/dbraw/zinc/05/28/80/218052880.db2.gz LTKQVFPFNSEURA-SJORKVTESA-N 2 2 331.464 1.392 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCOC[C@H]1C1CC1)c1ccccc1 ZINC000249358824 139191716 /nfs/dbraw/zinc/19/17/16/139191716.db2.gz RXRKSGNSSCVSQF-ROUUACIJSA-N 2 2 331.460 1.516 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCOC[C@H]1C1CC1)c1ccccc1 ZINC000249358824 139191717 /nfs/dbraw/zinc/19/17/17/139191717.db2.gz RXRKSGNSSCVSQF-ROUUACIJSA-N 2 2 331.460 1.516 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(C)no2)[C@@H](C)C1 ZINC000249401327 139192696 /nfs/dbraw/zinc/19/26/96/139192696.db2.gz CDMSTFPIYOCQLH-DZGCQCFKSA-N 2 2 338.452 1.648 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(C)no2)[C@@H](C)C1 ZINC000249401327 139192697 /nfs/dbraw/zinc/19/26/97/139192697.db2.gz CDMSTFPIYOCQLH-DZGCQCFKSA-N 2 2 338.452 1.648 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@H]21 ZINC000252653220 139204990 /nfs/dbraw/zinc/20/49/90/139204990.db2.gz RMHGBVMCVHWGHL-GDBMZVCRSA-N 2 2 342.443 1.388 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@H]21 ZINC000252653220 139204991 /nfs/dbraw/zinc/20/49/91/139204991.db2.gz RMHGBVMCVHWGHL-GDBMZVCRSA-N 2 2 342.443 1.388 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@H]21 ZINC000252653220 139204992 /nfs/dbraw/zinc/20/49/92/139204992.db2.gz RMHGBVMCVHWGHL-GDBMZVCRSA-N 2 2 342.443 1.388 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@H]21 ZINC000252653220 139204993 /nfs/dbraw/zinc/20/49/93/139204993.db2.gz RMHGBVMCVHWGHL-GDBMZVCRSA-N 2 2 342.443 1.388 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261624287 139212193 /nfs/dbraw/zinc/21/21/93/139212193.db2.gz BDNZGNLATKNZKZ-KZNAEPCWSA-N 2 2 331.460 1.551 20 0 EDADLP COc1ccsc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261656353 139214894 /nfs/dbraw/zinc/21/48/94/139214894.db2.gz FMPUIZRSUHJYCZ-UHFFFAOYSA-N 2 2 333.461 1.831 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261745853 139222522 /nfs/dbraw/zinc/22/25/22/139222522.db2.gz MYLCBTAVYXGSTN-IMJJTQAJSA-N 2 2 325.416 1.478 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261745853 139222523 /nfs/dbraw/zinc/22/25/23/139222523.db2.gz MYLCBTAVYXGSTN-IMJJTQAJSA-N 2 2 325.416 1.478 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261810463 139227892 /nfs/dbraw/zinc/22/78/92/139227892.db2.gz GRSJKRRUTNROSC-HKUYNNGSSA-N 2 2 345.487 1.874 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261842159 139230593 /nfs/dbraw/zinc/23/05/93/139230593.db2.gz ZZMADEWIEVVVHT-IFXJQAMLSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261842159 139230594 /nfs/dbraw/zinc/23/05/94/139230594.db2.gz ZZMADEWIEVVVHT-IFXJQAMLSA-N 2 2 344.459 1.811 20 0 EDADLP [NH3+]C1(c2noc(C[C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CCC1 ZINC000261968459 139240757 /nfs/dbraw/zinc/24/07/57/139240757.db2.gz QBVLRRKKKPZHQE-HNNXBMFYSA-N 2 2 328.416 1.851 20 0 EDADLP [NH3+]C1(c2noc(C[C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CCC1 ZINC000261968459 139240758 /nfs/dbraw/zinc/24/07/58/139240758.db2.gz QBVLRRKKKPZHQE-HNNXBMFYSA-N 2 2 328.416 1.851 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCOCC1 ZINC000261971893 139240978 /nfs/dbraw/zinc/24/09/78/139240978.db2.gz LPWRKWPBQCUFIU-MRXNPFEDSA-N 2 2 332.379 1.382 20 0 EDADLP COc1ccc(CN2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)CC2=O)cc1 ZINC000262089349 139250016 /nfs/dbraw/zinc/25/00/16/139250016.db2.gz URHURSSZHOIGHC-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CN2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)CC2=O)cc1 ZINC000262089349 139250017 /nfs/dbraw/zinc/25/00/17/139250017.db2.gz URHURSSZHOIGHC-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COC[C@@]1(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000414944683 250895569 /nfs/dbraw/zinc/89/55/69/250895569.db2.gz OJGRBUFMEUIQPM-SFHVURJKSA-N 2 2 344.415 1.664 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000174369824 207015570 /nfs/dbraw/zinc/01/55/70/207015570.db2.gz XDQYFBYNMNJSEO-QAPCUYQASA-N 2 2 347.459 1.385 20 0 EDADLP [NH3+][C@H](Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262123157 139252855 /nfs/dbraw/zinc/25/28/55/139252855.db2.gz JCINRVUFCUQAOY-QGZVFWFLSA-N 2 2 340.427 1.104 20 0 EDADLP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)no1 ZINC000262132477 139253674 /nfs/dbraw/zinc/25/36/74/139253674.db2.gz DDBRFGNJMPANOS-QMMMGPOBSA-N 2 2 330.314 1.650 20 0 EDADLP [NH3+]Cc1nc(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)no1 ZINC000262132477 139253675 /nfs/dbraw/zinc/25/36/75/139253675.db2.gz DDBRFGNJMPANOS-QMMMGPOBSA-N 2 2 330.314 1.650 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000174624185 207038359 /nfs/dbraw/zinc/03/83/59/207038359.db2.gz CWNRPUBTIMHRAL-GOSISDBHSA-N 2 2 346.475 1.093 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000174624185 207038363 /nfs/dbraw/zinc/03/83/63/207038363.db2.gz CWNRPUBTIMHRAL-GOSISDBHSA-N 2 2 346.475 1.093 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000174678311 207043553 /nfs/dbraw/zinc/04/35/53/207043553.db2.gz IFFQXBSDBGTRLY-UHFFFAOYSA-N 2 2 346.475 1.283 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc(-c2cccs2)no1 ZINC000174711425 207049045 /nfs/dbraw/zinc/04/90/45/207049045.db2.gz CCBQYGWKGAHHFE-UHFFFAOYSA-N 2 2 335.477 1.867 20 0 EDADLP [NH3+]C1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCCCC1 ZINC000262198886 139259329 /nfs/dbraw/zinc/25/93/29/139259329.db2.gz VPZYAZPIGRLPCV-UHFFFAOYSA-N 2 2 348.466 1.726 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc(C)[nH+]1 ZINC000569330325 306503666 /nfs/dbraw/zinc/50/36/66/306503666.db2.gz MFJBVMUQHHNQOP-QGZVFWFLSA-N 2 2 325.416 1.950 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000415983161 251043359 /nfs/dbraw/zinc/04/33/59/251043359.db2.gz MWBYOGNOXYKKCC-YOEHRIQHSA-N 2 2 332.448 1.733 20 0 EDADLP C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000262244273 139263107 /nfs/dbraw/zinc/26/31/07/139263107.db2.gz IBYXCQUBZOIVEH-FYWHAIQOSA-N 2 2 335.492 1.319 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000416989665 251119887 /nfs/dbraw/zinc/11/98/87/251119887.db2.gz WBDZJNJEEQVNBZ-GDBMZVCRSA-N 2 2 347.463 1.187 20 0 EDADLP CC1(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[NH2+]CC1 ZINC000415577781 304230553 /nfs/dbraw/zinc/23/05/53/304230553.db2.gz YJMTXECOJDBGSJ-UHFFFAOYSA-N 2 2 341.415 1.317 20 0 EDADLP [NH3+]C1(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCC1 ZINC000417604963 251205416 /nfs/dbraw/zinc/20/54/16/251205416.db2.gz WLKWFIXMIBYPNP-KRWDZBQOSA-N 2 2 346.475 1.111 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)N3CC[NH2+][C@H](C)[C@@H]3C)CC2)[nH+]c1 ZINC000417731417 251246375 /nfs/dbraw/zinc/24/63/75/251246375.db2.gz NTWPQKNXFCYGSE-CABCVRRESA-N 2 2 331.464 1.751 20 0 EDADLP CCn1c[nH+]cc1C[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000417990825 251319744 /nfs/dbraw/zinc/31/97/44/251319744.db2.gz JTQGKPRDFNOLGC-SFHVURJKSA-N 2 2 342.443 1.463 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000418714793 251393531 /nfs/dbraw/zinc/39/35/31/251393531.db2.gz AWSSAWNUFNORLX-GJZGRUSLSA-N 2 2 344.450 1.891 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418678767 251384374 /nfs/dbraw/zinc/38/43/74/251384374.db2.gz ARTHZQNTNJEVHA-KBPBESRZSA-N 2 2 335.452 1.438 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000176610821 207242945 /nfs/dbraw/zinc/24/29/45/207242945.db2.gz KNBZNBFFSCENBF-HOTGVXAUSA-N 2 2 331.464 1.786 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@@H](C[NH3+])OC)[C@H](C)C1 ZINC000423864222 252095343 /nfs/dbraw/zinc/09/53/43/252095343.db2.gz YKYHHPLVRUIYDX-WBVHZDCISA-N 2 2 349.475 1.482 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@@H](C[NH3+])OC)[C@H](C)C1 ZINC000423864222 252095346 /nfs/dbraw/zinc/09/53/46/252095346.db2.gz YKYHHPLVRUIYDX-WBVHZDCISA-N 2 2 349.475 1.482 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000423871507 252102008 /nfs/dbraw/zinc/10/20/08/252102008.db2.gz PQMXUVFSWCYFDP-JKSUJKDBSA-N 2 2 327.432 1.244 20 0 EDADLP C[C@@]1(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC[NH2+]C1 ZINC000423932610 252105270 /nfs/dbraw/zinc/10/52/70/252105270.db2.gz SUZOLGYYFXAHSS-HNAYVOBHSA-N 2 2 344.459 1.661 20 0 EDADLP Cn1cc(C(=O)NCc2cn3ccccc3[nH+]2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424141876 252139161 /nfs/dbraw/zinc/13/91/61/252139161.db2.gz UJTUHCWQINWPDQ-CYBMUJFWSA-N 2 2 338.415 1.465 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424143946 252141698 /nfs/dbraw/zinc/14/16/98/252141698.db2.gz KHYHVUORBBKJTA-LBPRGKRZSA-N 2 2 341.358 1.438 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424143946 252141703 /nfs/dbraw/zinc/14/17/03/252141703.db2.gz KHYHVUORBBKJTA-LBPRGKRZSA-N 2 2 341.358 1.438 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424190228 252158000 /nfs/dbraw/zinc/15/80/00/252158000.db2.gz MCHCLWNKRJUBMV-QGZVFWFLSA-N 2 2 325.497 1.855 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420363122 296336498 /nfs/dbraw/zinc/33/64/98/296336498.db2.gz OZEUQAOXGPLVON-KBMXLJTQSA-N 2 2 338.496 1.888 20 0 EDADLP O=S1(=O)CC[C@H]([NH2+]C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000365403721 285070655 /nfs/dbraw/zinc/07/06/55/285070655.db2.gz HMDFDPCXZIFFRC-ZDUSSCGKSA-N 2 2 334.445 1.308 20 0 EDADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415676499 304254382 /nfs/dbraw/zinc/25/43/82/304254382.db2.gz KVVZCIXVEVGEOP-CQSZACIVSA-N 2 2 341.415 1.398 20 0 EDADLP [NH3+][C@@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000263370728 139338480 /nfs/dbraw/zinc/33/84/80/139338480.db2.gz XZPCADVMXXSTHL-KRWDZBQOSA-N 2 2 340.427 1.625 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415708836 304260215 /nfs/dbraw/zinc/26/02/15/304260215.db2.gz ILABISAYDBWBRT-UHFFFAOYSA-N 2 2 334.420 1.396 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415722635 304261634 /nfs/dbraw/zinc/26/16/34/304261634.db2.gz CPSFEAZOJQMRQR-LRDDRELGSA-N 2 2 340.383 1.761 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccn(C)n1 ZINC000459797384 255002827 /nfs/dbraw/zinc/00/28/27/255002827.db2.gz RYTIKVXKNJQNBV-HNNXBMFYSA-N 2 2 342.447 1.205 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(Br)cnn2C)CCCO1 ZINC000487168729 255027883 /nfs/dbraw/zinc/02/78/83/255027883.db2.gz AQBMCMQUUOTAPN-GFCCVEGCSA-N 2 2 345.285 1.773 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(Br)cnn2C)CCCO1 ZINC000487168729 255027885 /nfs/dbraw/zinc/02/78/85/255027885.db2.gz AQBMCMQUUOTAPN-GFCCVEGCSA-N 2 2 345.285 1.773 20 0 EDADLP C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000488746374 255052120 /nfs/dbraw/zinc/05/21/20/255052120.db2.gz CJMFOIKQLQTBAE-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000488746374 255052122 /nfs/dbraw/zinc/05/21/22/255052122.db2.gz CJMFOIKQLQTBAE-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCCC[NH+]2CC)CCO1 ZINC000495045425 255266904 /nfs/dbraw/zinc/26/69/04/255266904.db2.gz MCSICJRAKVVXMB-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCCC[NH+]2CC)CCO1 ZINC000495045425 255266905 /nfs/dbraw/zinc/26/69/05/255266905.db2.gz MCSICJRAKVVXMB-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+]2CC)CCO1 ZINC000495045425 255266906 /nfs/dbraw/zinc/26/69/06/255266906.db2.gz MCSICJRAKVVXMB-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+]2CC)CCO1 ZINC000495045425 255266907 /nfs/dbraw/zinc/26/69/07/255266907.db2.gz MCSICJRAKVVXMB-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CN(C[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000496340963 255383613 /nfs/dbraw/zinc/38/36/13/255383613.db2.gz IGBGHMWBHQGVIH-CQSZACIVSA-N 2 2 326.441 1.433 20 0 EDADLP CN(C[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000496340963 255383614 /nfs/dbraw/zinc/38/36/14/255383614.db2.gz IGBGHMWBHQGVIH-CQSZACIVSA-N 2 2 326.441 1.433 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000496472640 255395941 /nfs/dbraw/zinc/39/59/41/255395941.db2.gz IHSZNGYMGOZFLY-QGZVFWFLSA-N 2 2 335.448 1.301 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000496472640 255395942 /nfs/dbraw/zinc/39/59/42/255395942.db2.gz IHSZNGYMGOZFLY-QGZVFWFLSA-N 2 2 335.448 1.301 20 0 EDADLP CC(C)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCOCC1 ZINC000117590524 221077596 /nfs/dbraw/zinc/07/75/96/221077596.db2.gz LRMCDOOACYHBQB-GOSISDBHSA-N 2 2 342.443 1.959 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@@H](C)[C@H]2C)C1 ZINC000118414199 221147286 /nfs/dbraw/zinc/14/72/86/221147286.db2.gz GKUXXPFSJUZCFX-OWCLPIDISA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@@H](C)[C@H]2C)C1 ZINC000118414199 221147288 /nfs/dbraw/zinc/14/72/88/221147288.db2.gz GKUXXPFSJUZCFX-OWCLPIDISA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)C1 ZINC000118414199 221147290 /nfs/dbraw/zinc/14/72/90/221147290.db2.gz GKUXXPFSJUZCFX-OWCLPIDISA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)C1 ZINC000118414199 221147292 /nfs/dbraw/zinc/14/72/92/221147292.db2.gz GKUXXPFSJUZCFX-OWCLPIDISA-N 2 2 343.537 1.285 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000270533446 140118354 /nfs/dbraw/zinc/11/83/54/140118354.db2.gz OPJCGDPFNFKUSC-GOSISDBHSA-N 2 2 342.443 1.460 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000270554692 140122602 /nfs/dbraw/zinc/12/26/02/140122602.db2.gz VMWFCDNHLFHCKH-INIZCTEOSA-N 2 2 348.422 1.259 20 0 EDADLP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)c(C)n2n1 ZINC000271564614 140312093 /nfs/dbraw/zinc/31/20/93/140312093.db2.gz OPRCHCYRVVVNFW-CZUORRHYSA-N 2 2 344.463 1.337 20 0 EDADLP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)c(C)n2n1 ZINC000271564614 140312094 /nfs/dbraw/zinc/31/20/94/140312094.db2.gz OPRCHCYRVVVNFW-CZUORRHYSA-N 2 2 344.463 1.337 20 0 EDADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(F)c(F)c1 ZINC000271693500 140334687 /nfs/dbraw/zinc/33/46/87/140334687.db2.gz KXCUHKJORPZEJT-JKSUJKDBSA-N 2 2 341.402 1.582 20 0 EDADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(F)c(F)c1 ZINC000271693500 140334688 /nfs/dbraw/zinc/33/46/88/140334688.db2.gz KXCUHKJORPZEJT-JKSUJKDBSA-N 2 2 341.402 1.582 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccccc2)CC1 ZINC000271822743 140356478 /nfs/dbraw/zinc/35/64/78/140356478.db2.gz PIEJRBIWDUBZNY-LJQANCHMSA-N 2 2 334.460 1.901 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+][C@H](C)[C@H]3C)c[nH+]2)CCO1 ZINC000332024371 141112156 /nfs/dbraw/zinc/11/21/56/141112156.db2.gz GNNKVCWXMVBOOY-RBSFLKMASA-N 2 2 347.463 1.199 20 0 EDADLP CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000332396791 141174998 /nfs/dbraw/zinc/17/49/98/141174998.db2.gz PUQLZRAYZTUSHC-HOTGVXAUSA-N 2 2 337.489 1.996 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000332558630 141202908 /nfs/dbraw/zinc/20/29/08/141202908.db2.gz SZHTVYKALACWNG-DZGCQCFKSA-N 2 2 347.463 1.818 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc[nH+]1 ZINC000333009428 141249563 /nfs/dbraw/zinc/24/95/63/141249563.db2.gz FMXQXUFDVIZGRY-SJORKVTESA-N 2 2 345.491 1.892 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c2[nH+]ccn21 ZINC000333201229 141280466 /nfs/dbraw/zinc/28/04/66/141280466.db2.gz RGJGTYQESCOCCO-MGPQQGTHSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c2[nH+]ccn21 ZINC000333201229 141280467 /nfs/dbraw/zinc/28/04/67/141280467.db2.gz RGJGTYQESCOCCO-MGPQQGTHSA-N 2 2 335.452 1.376 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000333538007 141333257 /nfs/dbraw/zinc/33/32/57/141333257.db2.gz ZEPHJDYEQWBNQI-DLTWYDFYSA-N 2 2 347.463 1.566 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCO1 ZINC000333538007 141333258 /nfs/dbraw/zinc/33/32/58/141333258.db2.gz ZEPHJDYEQWBNQI-DLTWYDFYSA-N 2 2 347.463 1.566 20 0 EDADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333628453 141347408 /nfs/dbraw/zinc/34/74/08/141347408.db2.gz VJFACGIBTGYGAM-LLVKDONJSA-N 2 2 328.424 1.206 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333719930 141365639 /nfs/dbraw/zinc/36/56/39/141365639.db2.gz GLQYGRPSGMMSSD-UHFFFAOYSA-N 2 2 336.480 1.026 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)NCCn1cc[nH+]c1C)[NH+](C)C ZINC000339485762 142057830 /nfs/dbraw/zinc/05/78/30/142057830.db2.gz AMLNMPXTACILOB-INIZCTEOSA-N 2 2 345.447 1.802 20 0 EDADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000339701405 142125095 /nfs/dbraw/zinc/12/50/95/142125095.db2.gz HOSOYIUBFKCICP-MRXNPFEDSA-N 2 2 331.460 1.619 20 0 EDADLP C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000339753800 142145646 /nfs/dbraw/zinc/14/56/46/142145646.db2.gz VUJPICPGLXNWDL-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(C(F)F)CC2)CC1 ZINC000340250174 142319536 /nfs/dbraw/zinc/31/95/36/142319536.db2.gz OGDBYWCVTKJUPI-UHFFFAOYSA-N 2 2 332.439 1.699 20 0 EDADLP CCCN(CC[NH+](C)C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000344891608 143024292 /nfs/dbraw/zinc/02/42/92/143024292.db2.gz UMAPNQRFYOKOAM-UHFFFAOYSA-N 2 2 335.496 1.432 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000345107619 143051298 /nfs/dbraw/zinc/05/12/98/143051298.db2.gz LBHHOTZQSOYCJM-OWCLPIDISA-N 2 2 334.443 1.597 20 0 EDADLP CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000345578033 143107927 /nfs/dbraw/zinc/10/79/27/143107927.db2.gz DWNOCAXDSZCWDY-QGZVFWFLSA-N 2 2 345.491 1.052 20 0 EDADLP CC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000345578033 143107928 /nfs/dbraw/zinc/10/79/28/143107928.db2.gz DWNOCAXDSZCWDY-QGZVFWFLSA-N 2 2 345.491 1.052 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]2CCOCC2)cc1 ZINC000345710857 143124311 /nfs/dbraw/zinc/12/43/11/143124311.db2.gz KQKWFNNGFMAPMT-HUUCEWRRSA-N 2 2 341.402 1.467 20 0 EDADLP CSc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000346111900 143168885 /nfs/dbraw/zinc/16/88/85/143168885.db2.gz VMTPABITZPGRNY-UHFFFAOYSA-N 2 2 336.505 1.902 20 0 EDADLP CSc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000346111900 143168886 /nfs/dbraw/zinc/16/88/86/143168886.db2.gz VMTPABITZPGRNY-UHFFFAOYSA-N 2 2 336.505 1.902 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000346147174 143172306 /nfs/dbraw/zinc/17/23/06/143172306.db2.gz IZAMPMLJGJVMLT-HOTGVXAUSA-N 2 2 325.497 1.581 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+]4CCOCC4)cn3)C2)C1 ZINC000346319008 143191399 /nfs/dbraw/zinc/19/13/99/143191399.db2.gz LFMWLZZNWYEHFX-LJQANCHMSA-N 2 2 344.459 1.082 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C[NH+]4CCOCC4)cn3)C2)C1 ZINC000346319008 143191400 /nfs/dbraw/zinc/19/14/00/143191400.db2.gz LFMWLZZNWYEHFX-LJQANCHMSA-N 2 2 344.459 1.082 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](F)C[C@@H]2CO)CC1 ZINC000346388884 143199850 /nfs/dbraw/zinc/19/98/50/143199850.db2.gz YHIIWXQECADFNJ-ZWKOTPCHSA-N 2 2 349.450 1.044 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](F)C[C@@H]2CO)CC1 ZINC000346388884 143199851 /nfs/dbraw/zinc/19/98/51/143199851.db2.gz YHIIWXQECADFNJ-ZWKOTPCHSA-N 2 2 349.450 1.044 20 0 EDADLP Cn1nccc1CC[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346888251 143256525 /nfs/dbraw/zinc/25/65/25/143256525.db2.gz PWJVWBOLUXAOTC-CRAIPNDOSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1nccc1CC[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346888251 143256526 /nfs/dbraw/zinc/25/65/26/143256526.db2.gz PWJVWBOLUXAOTC-CRAIPNDOSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1nccc1CC[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346888251 143256527 /nfs/dbraw/zinc/25/65/27/143256527.db2.gz PWJVWBOLUXAOTC-CRAIPNDOSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1nccc1CC[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346888251 143256528 /nfs/dbraw/zinc/25/65/28/143256528.db2.gz PWJVWBOLUXAOTC-CRAIPNDOSA-N 2 2 330.480 1.711 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCc2cn3c(cccc3C)[nH+]2)[N@H+](C)C1 ZINC000347012024 143271345 /nfs/dbraw/zinc/27/13/45/143271345.db2.gz LMUQAZTYVZQLEE-CVEARBPZSA-N 2 2 345.447 1.503 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCc2cn3c(cccc3C)[nH+]2)[N@@H+](C)C1 ZINC000347012024 143271346 /nfs/dbraw/zinc/27/13/46/143271346.db2.gz LMUQAZTYVZQLEE-CVEARBPZSA-N 2 2 345.447 1.503 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000347037397 143274773 /nfs/dbraw/zinc/27/47/73/143274773.db2.gz JAFQILDXXIFPLN-UHFFFAOYSA-N 2 2 334.464 1.668 20 0 EDADLP Cc1ocnc1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000347696240 143350796 /nfs/dbraw/zinc/35/07/96/143350796.db2.gz UGUWSUDZUPICQQ-INIZCTEOSA-N 2 2 339.399 1.414 20 0 EDADLP COC(=O)[C@H]([NH+]1CCC(Cc2[nH+]ccn2C)CC1)C1(OC)CCC1 ZINC000347751875 143358133 /nfs/dbraw/zinc/35/81/33/143358133.db2.gz QESQOTCMCHWRLY-INIZCTEOSA-N 2 2 335.448 1.785 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000347830562 143368168 /nfs/dbraw/zinc/36/81/68/143368168.db2.gz KQIJWQPUXRAFJG-MRXNPFEDSA-N 2 2 348.491 1.080 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000347830562 143368169 /nfs/dbraw/zinc/36/81/69/143368169.db2.gz KQIJWQPUXRAFJG-MRXNPFEDSA-N 2 2 348.491 1.080 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000347830562 143368170 /nfs/dbraw/zinc/36/81/70/143368170.db2.gz KQIJWQPUXRAFJG-MRXNPFEDSA-N 2 2 348.491 1.080 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000347830562 143368171 /nfs/dbraw/zinc/36/81/71/143368171.db2.gz KQIJWQPUXRAFJG-MRXNPFEDSA-N 2 2 348.491 1.080 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCN(c2ccnn2C)C1=O ZINC000348401585 143429850 /nfs/dbraw/zinc/42/98/50/143429850.db2.gz DDAZDNNVBMRCEI-INIZCTEOSA-N 2 2 327.432 1.841 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417665505 296580821 /nfs/dbraw/zinc/58/08/21/296580821.db2.gz YVMAJEJQGZLBAS-BYCMXARLSA-N 2 2 340.418 1.865 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3N(C)C)CC2)C1 ZINC000369824316 155190357 /nfs/dbraw/zinc/19/03/57/155190357.db2.gz LRFCJBFBQUAMIR-LJQANCHMSA-N 2 2 346.519 1.591 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3N(C)C)CC2)C1 ZINC000369824316 155190365 /nfs/dbraw/zinc/19/03/65/155190365.db2.gz LRFCJBFBQUAMIR-LJQANCHMSA-N 2 2 346.519 1.591 20 0 EDADLP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416893596 304353666 /nfs/dbraw/zinc/35/36/66/304353666.db2.gz PTYYJZSKEDQSHE-MSOLQXFVSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000417812030 292199462 /nfs/dbraw/zinc/19/94/62/292199462.db2.gz DQNXAGKFTZGKCO-TZMCWYRMSA-N 2 2 340.493 1.466 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[C@@H]1O ZINC000352695615 149119933 /nfs/dbraw/zinc/11/99/33/149119933.db2.gz IIBWKYKEABGBOU-MSOLQXFVSA-N 2 2 347.459 1.303 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[C@@H]1O ZINC000352695615 149119935 /nfs/dbraw/zinc/11/99/35/149119935.db2.gz IIBWKYKEABGBOU-MSOLQXFVSA-N 2 2 347.459 1.303 20 0 EDADLP CSc1cc2c(cc1C[NH+]1CCN([C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000352717255 149127411 /nfs/dbraw/zinc/12/74/11/149127411.db2.gz HUSLJNTXJPYZDD-OAHLLOKOSA-N 2 2 349.500 1.659 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(F)cc1 ZINC000416897635 304354280 /nfs/dbraw/zinc/35/42/80/304354280.db2.gz AJAGQYVODQPOKU-CABCVRRESA-N 2 2 331.395 1.685 20 0 EDADLP C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352796208 149169360 /nfs/dbraw/zinc/16/93/60/149169360.db2.gz GGQLXGHFUZAVFL-HIFRSBDPSA-N 2 2 339.530 1.733 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000352829971 149183647 /nfs/dbraw/zinc/18/36/47/149183647.db2.gz RFEJINXXVDGVPR-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000352829971 149183649 /nfs/dbraw/zinc/18/36/49/149183649.db2.gz RFEJINXXVDGVPR-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP O=C1NCCC[C@H]1[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352886150 149204147 /nfs/dbraw/zinc/20/41/47/149204147.db2.gz FWCJPHHEFHWRFN-RTBURBONSA-N 2 2 342.487 1.157 20 0 EDADLP O=C1NCCC[C@H]1[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352886150 149204149 /nfs/dbraw/zinc/20/41/49/149204149.db2.gz FWCJPHHEFHWRFN-RTBURBONSA-N 2 2 342.487 1.157 20 0 EDADLP Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369930567 155241272 /nfs/dbraw/zinc/24/12/72/155241272.db2.gz ZRQGMWKIEBNNSI-XJKSGUPXSA-N 2 2 347.507 1.490 20 0 EDADLP Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369930567 155241274 /nfs/dbraw/zinc/24/12/74/155241274.db2.gz ZRQGMWKIEBNNSI-XJKSGUPXSA-N 2 2 347.507 1.490 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000369945041 155246269 /nfs/dbraw/zinc/24/62/69/155246269.db2.gz ZFYDNXCDZCGAIW-QGZVFWFLSA-N 2 2 331.460 1.488 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000369945041 155246272 /nfs/dbraw/zinc/24/62/72/155246272.db2.gz ZFYDNXCDZCGAIW-QGZVFWFLSA-N 2 2 331.460 1.488 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CCO1 ZINC000369945041 155246276 /nfs/dbraw/zinc/24/62/76/155246276.db2.gz ZFYDNXCDZCGAIW-QGZVFWFLSA-N 2 2 331.460 1.488 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CCO1 ZINC000369945041 155246280 /nfs/dbraw/zinc/24/62/80/155246280.db2.gz ZFYDNXCDZCGAIW-QGZVFWFLSA-N 2 2 331.460 1.488 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2c[nH]cn2)cc[nH+]1 ZINC000354930990 150037986 /nfs/dbraw/zinc/03/79/86/150037986.db2.gz ZPVZSPUXNWNAQE-OCCSQVGLSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2c[nH]cn2)cc[nH+]1 ZINC000354930990 150037990 /nfs/dbraw/zinc/03/79/90/150037990.db2.gz ZPVZSPUXNWNAQE-OCCSQVGLSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2cnc[nH]2)cc[nH+]1 ZINC000354930990 150037993 /nfs/dbraw/zinc/03/79/93/150037993.db2.gz ZPVZSPUXNWNAQE-OCCSQVGLSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2cnc[nH]2)cc[nH+]1 ZINC000354930990 150037997 /nfs/dbraw/zinc/03/79/97/150037997.db2.gz ZPVZSPUXNWNAQE-OCCSQVGLSA-N 2 2 333.415 1.315 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc3ccccn32)[C@@H](C)C1 ZINC000354961164 150055859 /nfs/dbraw/zinc/05/58/59/150055859.db2.gz BYRJGYCMIPQDGB-HOTGVXAUSA-N 2 2 331.464 1.956 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc3ccccn32)[C@@H](C)C1 ZINC000354961164 150055863 /nfs/dbraw/zinc/05/58/63/150055863.db2.gz BYRJGYCMIPQDGB-HOTGVXAUSA-N 2 2 331.464 1.956 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417038466 304364440 /nfs/dbraw/zinc/36/44/40/304364440.db2.gz NKJTXTFOVVGCRU-RYRKJORJSA-N 2 2 346.475 1.439 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417063086 304368250 /nfs/dbraw/zinc/36/82/50/304368250.db2.gz DMUJYKRXKDINEZ-MRXNPFEDSA-N 2 2 327.432 1.730 20 0 EDADLP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000357407938 151022929 /nfs/dbraw/zinc/02/29/29/151022929.db2.gz FXQKECVMXMPULD-MAUKXSAKSA-N 2 2 331.460 1.731 20 0 EDADLP CN(C)c1nc(N(C)C[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)cc[nH+]1 ZINC000357684126 151115118 /nfs/dbraw/zinc/11/51/18/151115118.db2.gz WCMCANQVZBTGSD-CABCVRRESA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N(C)C[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)cc[nH+]1 ZINC000357684126 151115122 /nfs/dbraw/zinc/11/51/22/151115122.db2.gz WCMCANQVZBTGSD-CABCVRRESA-N 2 2 347.442 1.325 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)COC/C=C\c2ccccc2)CC1 ZINC000357708337 151121343 /nfs/dbraw/zinc/12/13/43/151121343.db2.gz NNUARGTZCONVEK-TWGQIWQCSA-N 2 2 345.487 1.859 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)n1C ZINC000357718507 151123666 /nfs/dbraw/zinc/12/36/66/151123666.db2.gz WKLMSDMFKZKERB-MRXNPFEDSA-N 2 2 327.432 1.377 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)n1C ZINC000357718507 151123669 /nfs/dbraw/zinc/12/36/69/151123669.db2.gz WKLMSDMFKZKERB-MRXNPFEDSA-N 2 2 327.432 1.377 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000417075605 304370342 /nfs/dbraw/zinc/37/03/42/304370342.db2.gz VMJSACPWNDMYSG-OAHLLOKOSA-N 2 2 340.418 1.792 20 0 EDADLP CCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358147537 151287684 /nfs/dbraw/zinc/28/76/84/151287684.db2.gz FDHSFDLDWKZHIT-FGTMMUONSA-N 2 2 337.508 1.868 20 0 EDADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@]4(CCOC4)C3)CC2)nc1 ZINC000358300808 151330911 /nfs/dbraw/zinc/33/09/11/151330911.db2.gz MLDSHSOIZBEQDT-PKOBYXMFSA-N 2 2 331.460 1.974 20 0 EDADLP CC[C@@H](C)n1ncc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000358320067 151335578 /nfs/dbraw/zinc/33/55/78/151335578.db2.gz GBPKGWLQEXMMHB-CQSZACIVSA-N 2 2 335.496 1.918 20 0 EDADLP COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000358549227 151414578 /nfs/dbraw/zinc/41/45/78/151414578.db2.gz VRUWJZRGXGOOIX-HNNXBMFYSA-N 2 2 338.448 1.470 20 0 EDADLP CCC(CC)(CC)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000359730451 151802286 /nfs/dbraw/zinc/80/22/86/151802286.db2.gz PKVQKSBMESKZPE-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)CCn2cc[nH+]c2)cc1 ZINC000360618767 152125250 /nfs/dbraw/zinc/12/52/50/152125250.db2.gz KHHYRTFIVOFBSX-DLBZAZTESA-N 2 2 328.416 1.544 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[NH+](CC(C)(C)O)CC3)cn2c1 ZINC000360924972 152253775 /nfs/dbraw/zinc/25/37/75/152253775.db2.gz LPBUIGMPHYNHFP-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C(=O)OC)C2)CC1 ZINC000361136565 152317860 /nfs/dbraw/zinc/31/78/60/152317860.db2.gz QGPQNFZUNZZKKE-ZFWWWQNUSA-N 2 2 326.437 1.335 20 0 EDADLP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000361141421 152318718 /nfs/dbraw/zinc/31/87/18/152318718.db2.gz NYRXFLCGLKKFOX-KRWDZBQOSA-N 2 2 347.503 1.709 20 0 EDADLP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000361141421 152318720 /nfs/dbraw/zinc/31/87/20/152318720.db2.gz NYRXFLCGLKKFOX-KRWDZBQOSA-N 2 2 347.503 1.709 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)CC2 ZINC000363683004 153028802 /nfs/dbraw/zinc/02/88/02/153028802.db2.gz BNALLSIJXHVMJQ-UHFFFAOYSA-N 2 2 341.415 1.234 20 0 EDADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000364195056 153168993 /nfs/dbraw/zinc/16/89/93/153168993.db2.gz LWVGHAWQRLASFI-CJNGLKHVSA-N 2 2 334.370 1.813 20 0 EDADLP Cc1nnc2n1C[C@H]([NH2+][C@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000364374280 153220062 /nfs/dbraw/zinc/22/00/62/153220062.db2.gz JBEMTXVQQJCITA-MSOLQXFVSA-N 2 2 325.460 1.808 20 0 EDADLP Cc1nnc2n1C[C@H]([NH2+][C@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000364374280 153220065 /nfs/dbraw/zinc/22/00/65/153220065.db2.gz JBEMTXVQQJCITA-MSOLQXFVSA-N 2 2 325.460 1.808 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1OC ZINC000364489837 153250863 /nfs/dbraw/zinc/25/08/63/153250863.db2.gz JDPCWDOMSRWAQI-NVXWUHKLSA-N 2 2 348.491 1.557 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1OC ZINC000364489837 153250865 /nfs/dbraw/zinc/25/08/65/153250865.db2.gz JDPCWDOMSRWAQI-NVXWUHKLSA-N 2 2 348.491 1.557 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c2n1CCCC2 ZINC000364810596 153340616 /nfs/dbraw/zinc/34/06/16/153340616.db2.gz GHVBALXCTOGQSP-OKILXGFUSA-N 2 2 349.479 1.124 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c2n1CCCC2 ZINC000364810596 153340619 /nfs/dbraw/zinc/34/06/19/153340619.db2.gz GHVBALXCTOGQSP-OKILXGFUSA-N 2 2 349.479 1.124 20 0 EDADLP CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000364916850 153369325 /nfs/dbraw/zinc/36/93/25/153369325.db2.gz OYLGHJZDWAJWSS-HNNXBMFYSA-N 2 2 331.460 1.853 20 0 EDADLP CCc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000364916850 153369328 /nfs/dbraw/zinc/36/93/28/153369328.db2.gz OYLGHJZDWAJWSS-HNNXBMFYSA-N 2 2 331.460 1.853 20 0 EDADLP NC(=O)C1=NO[C@@H](C[NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000364945380 153379730 /nfs/dbraw/zinc/37/97/30/153379730.db2.gz DABSNXSCCIWGNU-OAHLLOKOSA-N 2 2 334.395 1.010 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000367159299 154026065 /nfs/dbraw/zinc/02/60/65/154026065.db2.gz WCZHOFGITAQTNU-KRWDZBQOSA-N 2 2 336.480 1.867 20 0 EDADLP Cc1[nH+]ccn1CCCN1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000367167641 154027293 /nfs/dbraw/zinc/02/72/93/154027293.db2.gz HFWJCRNTNYNNEF-UHFFFAOYSA-N 2 2 333.480 1.387 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C2(C(N)=O)CCCCC2)CC1 ZINC000367167641 154027295 /nfs/dbraw/zinc/02/72/95/154027295.db2.gz HFWJCRNTNYNNEF-UHFFFAOYSA-N 2 2 333.480 1.387 20 0 EDADLP Cc1ccccc1NC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000367427549 154116894 /nfs/dbraw/zinc/11/68/94/154116894.db2.gz ABNOKGDNAZCKID-UHFFFAOYSA-N 2 2 330.476 1.645 20 0 EDADLP COc1ncccc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367440367 154122518 /nfs/dbraw/zinc/12/25/18/154122518.db2.gz CZFDNERBDQJMSR-CQSZACIVSA-N 2 2 347.463 1.722 20 0 EDADLP COc1ncccc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367440367 154122522 /nfs/dbraw/zinc/12/25/22/154122522.db2.gz CZFDNERBDQJMSR-CQSZACIVSA-N 2 2 347.463 1.722 20 0 EDADLP C[C@H]1C(=O)NCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000367539665 154167721 /nfs/dbraw/zinc/16/77/21/154167721.db2.gz CAIQXUDKYIXTFP-KRWDZBQOSA-N 2 2 330.476 1.409 20 0 EDADLP C[C@H]1C(=O)NCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000367539665 154167724 /nfs/dbraw/zinc/16/77/24/154167724.db2.gz CAIQXUDKYIXTFP-KRWDZBQOSA-N 2 2 330.476 1.409 20 0 EDADLP CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC000367558160 154175773 /nfs/dbraw/zinc/17/57/73/154175773.db2.gz XURUTAZEIZFSID-UHFFFAOYSA-N 2 2 329.444 1.064 20 0 EDADLP CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC000367558160 154175777 /nfs/dbraw/zinc/17/57/77/154175777.db2.gz XURUTAZEIZFSID-UHFFFAOYSA-N 2 2 329.444 1.064 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367709424 154238439 /nfs/dbraw/zinc/23/84/39/154238439.db2.gz SVYBTPPSHRJMMC-SJPCQFCGSA-N 2 2 347.507 1.622 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367709424 154238442 /nfs/dbraw/zinc/23/84/42/154238442.db2.gz SVYBTPPSHRJMMC-SJPCQFCGSA-N 2 2 347.507 1.622 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367709424 154238445 /nfs/dbraw/zinc/23/84/45/154238445.db2.gz SVYBTPPSHRJMMC-SJPCQFCGSA-N 2 2 347.507 1.622 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367709424 154238446 /nfs/dbraw/zinc/23/84/46/154238446.db2.gz SVYBTPPSHRJMMC-SJPCQFCGSA-N 2 2 347.507 1.622 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CC[C@H](O)c3ccccc3)CC2)C1 ZINC000368006456 154364569 /nfs/dbraw/zinc/36/45/69/154364569.db2.gz AXIDEFRYNBURAP-UXHICEINSA-N 2 2 347.503 1.448 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CC[C@H](O)c3ccccc3)CC2)C1 ZINC000368006456 154364571 /nfs/dbraw/zinc/36/45/71/154364571.db2.gz AXIDEFRYNBURAP-UXHICEINSA-N 2 2 347.503 1.448 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCCc2[nH+]ccn21 ZINC000368053819 154388005 /nfs/dbraw/zinc/38/80/05/154388005.db2.gz HPFBXWLEVGTHSW-HNNXBMFYSA-N 2 2 341.415 1.309 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369393645 155011991 /nfs/dbraw/zinc/01/19/91/155011991.db2.gz NPROQEJPACCASQ-INIZCTEOSA-N 3 2 348.495 1.049 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369393645 155011994 /nfs/dbraw/zinc/01/19/94/155011994.db2.gz NPROQEJPACCASQ-INIZCTEOSA-N 3 2 348.495 1.049 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369411685 155018520 /nfs/dbraw/zinc/01/85/20/155018520.db2.gz ANSRHCSDVUBBMH-RDJZCZTQSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369411685 155018523 /nfs/dbraw/zinc/01/85/23/155018523.db2.gz ANSRHCSDVUBBMH-RDJZCZTQSA-N 2 2 346.475 1.476 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)c1ccn([C@H]3CCC[NH2+]C3)n1)C2 ZINC000369556448 155085712 /nfs/dbraw/zinc/08/57/12/155085712.db2.gz MHYSPPKKYXXZTG-AWEZNQCLSA-N 2 2 328.420 1.277 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000574860817 306658008 /nfs/dbraw/zinc/65/80/08/306658008.db2.gz IHFMQCVIQQMYGU-KRWDZBQOSA-N 2 2 327.432 1.730 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000371675239 156058662 /nfs/dbraw/zinc/05/86/62/156058662.db2.gz DXUDAYCDBHMGKH-GDBMZVCRSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000371675239 156058663 /nfs/dbraw/zinc/05/86/63/156058663.db2.gz DXUDAYCDBHMGKH-GDBMZVCRSA-N 2 2 331.464 1.610 20 0 EDADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372045526 156222897 /nfs/dbraw/zinc/22/28/97/156222897.db2.gz DLCXRGVZKMKVBH-MJGOQNOKSA-N 2 2 345.487 1.896 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc2c1OCO2 ZINC000372415997 156378889 /nfs/dbraw/zinc/37/88/89/156378889.db2.gz LZOOEQNQDSFYJJ-RDJZCZTQSA-N 2 2 347.459 1.252 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc2c1OCO2 ZINC000372415997 156378894 /nfs/dbraw/zinc/37/88/94/156378894.db2.gz LZOOEQNQDSFYJJ-RDJZCZTQSA-N 2 2 347.459 1.252 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc2c1OCO2 ZINC000372415997 156378897 /nfs/dbraw/zinc/37/88/97/156378897.db2.gz LZOOEQNQDSFYJJ-RDJZCZTQSA-N 2 2 347.459 1.252 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc2c1OCO2 ZINC000372415997 156378901 /nfs/dbraw/zinc/37/89/01/156378901.db2.gz LZOOEQNQDSFYJJ-RDJZCZTQSA-N 2 2 347.459 1.252 20 0 EDADLP CC(=O)CSCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000373919163 157063960 /nfs/dbraw/zinc/06/39/60/157063960.db2.gz USWAMURGRRUXSL-UHFFFAOYSA-N 2 2 341.521 1.375 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000373981960 157093146 /nfs/dbraw/zinc/09/31/46/157093146.db2.gz UGOFSDMEDSGDHS-IYBDPMFKSA-N 2 2 334.464 1.621 20 0 EDADLP C[C@@H]1C[N@H+](CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000373981960 157093148 /nfs/dbraw/zinc/09/31/48/157093148.db2.gz UGOFSDMEDSGDHS-IYBDPMFKSA-N 2 2 334.464 1.621 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C4CC4)no3)CC2)CC1 ZINC000374245909 157212630 /nfs/dbraw/zinc/21/26/30/157212630.db2.gz UABTVLBPGSJGSO-UHFFFAOYSA-N 2 2 332.448 1.840 20 0 EDADLP Cc1cccc2[nH+]cc(CN3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n21 ZINC000374254155 157215940 /nfs/dbraw/zinc/21/59/40/157215940.db2.gz LFQVWRSGLXXEGG-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1cccc2[nH+]cc(CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n21 ZINC000374254155 157215945 /nfs/dbraw/zinc/21/59/45/157215945.db2.gz LFQVWRSGLXXEGG-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP CC(C)Cn1ncnc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374593022 157339264 /nfs/dbraw/zinc/33/92/64/157339264.db2.gz IESSKHOKWGQJBQ-INIZCTEOSA-N 2 2 334.512 1.534 20 0 EDADLP CC(C)Cn1ncnc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374593022 157339265 /nfs/dbraw/zinc/33/92/65/157339265.db2.gz IESSKHOKWGQJBQ-INIZCTEOSA-N 2 2 334.512 1.534 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC1 ZINC000374728789 157379512 /nfs/dbraw/zinc/37/95/12/157379512.db2.gz UVYIKVURHQJERT-MRXNPFEDSA-N 2 2 327.432 1.057 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC1 ZINC000374728789 157379516 /nfs/dbraw/zinc/37/95/16/157379516.db2.gz UVYIKVURHQJERT-MRXNPFEDSA-N 2 2 327.432 1.057 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H](F)C(F)(F)F)CC2)CC1 ZINC000377749189 157983889 /nfs/dbraw/zinc/98/38/89/157983889.db2.gz SFUSNRLGQZYRBA-LBPRGKRZSA-N 2 2 325.350 1.562 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(F)C(F)(F)F)CC2)CC1 ZINC000377749189 157983890 /nfs/dbraw/zinc/98/38/90/157983890.db2.gz SFUSNRLGQZYRBA-LBPRGKRZSA-N 2 2 325.350 1.562 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000377995129 158050623 /nfs/dbraw/zinc/05/06/23/158050623.db2.gz UMUQLABFIZFVCO-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000377995129 158050626 /nfs/dbraw/zinc/05/06/26/158050626.db2.gz UMUQLABFIZFVCO-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000377995129 158050627 /nfs/dbraw/zinc/05/06/27/158050627.db2.gz UMUQLABFIZFVCO-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000377995129 158050629 /nfs/dbraw/zinc/05/06/29/158050629.db2.gz UMUQLABFIZFVCO-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378203118 158107483 /nfs/dbraw/zinc/10/74/83/158107483.db2.gz QNSIFADWPFFMHA-CYBMUJFWSA-N 2 2 328.416 1.637 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378203118 158107486 /nfs/dbraw/zinc/10/74/86/158107486.db2.gz QNSIFADWPFFMHA-CYBMUJFWSA-N 2 2 328.416 1.637 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000378312780 158136727 /nfs/dbraw/zinc/13/67/27/158136727.db2.gz NOSYVYSTUNMQPP-DLBZAZTESA-N 2 2 349.479 1.524 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000378312780 158136730 /nfs/dbraw/zinc/13/67/30/158136730.db2.gz NOSYVYSTUNMQPP-DLBZAZTESA-N 2 2 349.479 1.524 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000378353614 158148276 /nfs/dbraw/zinc/14/82/76/158148276.db2.gz GHJGRUPVSWUKGJ-INIZCTEOSA-N 2 2 331.464 1.444 20 0 EDADLP Cc1ccc(N2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000378381991 158159610 /nfs/dbraw/zinc/15/96/10/158159610.db2.gz FRRJDSYKKGVYJH-UHFFFAOYSA-N 2 2 330.476 1.281 20 0 EDADLP Cc1ccc(N2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000378381991 158159612 /nfs/dbraw/zinc/15/96/12/158159612.db2.gz FRRJDSYKKGVYJH-UHFFFAOYSA-N 2 2 330.476 1.281 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000378590620 158215792 /nfs/dbraw/zinc/21/57/92/158215792.db2.gz HMJBQPGLOYWRPY-OAHLLOKOSA-N 2 2 331.460 1.995 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000378590620 158215794 /nfs/dbraw/zinc/21/57/94/158215794.db2.gz HMJBQPGLOYWRPY-OAHLLOKOSA-N 2 2 331.460 1.995 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3(CO)CCOCC3)sc2C1 ZINC000378647378 158225599 /nfs/dbraw/zinc/22/55/99/158225599.db2.gz QRQFPHLZKYDWGF-UHFFFAOYSA-N 2 2 325.478 1.541 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C3(CO)CCOCC3)sc2C1 ZINC000378647378 158225600 /nfs/dbraw/zinc/22/56/00/158225600.db2.gz QRQFPHLZKYDWGF-UHFFFAOYSA-N 2 2 325.478 1.541 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000408205975 158296996 /nfs/dbraw/zinc/29/69/96/158296996.db2.gz MHMVNQJVTMNGOO-GJZGRUSLSA-N 2 2 347.463 1.783 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000408205975 158297000 /nfs/dbraw/zinc/29/70/00/158297000.db2.gz MHMVNQJVTMNGOO-GJZGRUSLSA-N 2 2 347.463 1.783 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000352473086 162200279 /nfs/dbraw/zinc/20/02/79/162200279.db2.gz OWBFXNISBXMRRI-IAGOWNOFSA-N 2 2 344.459 1.270 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000352473086 162200283 /nfs/dbraw/zinc/20/02/83/162200283.db2.gz OWBFXNISBXMRRI-IAGOWNOFSA-N 2 2 344.459 1.270 20 0 EDADLP CC(C)[C@@H](NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352478261 162203015 /nfs/dbraw/zinc/20/30/15/162203015.db2.gz USNZDIRBUXQGDL-UYAOXDASSA-N 2 2 344.503 1.479 20 0 EDADLP CNC(=O)[C@@H](CCSC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000352504254 162217186 /nfs/dbraw/zinc/21/71/86/162217186.db2.gz OORLHECOMHFSIO-GFCCVEGCSA-N 2 2 341.443 1.861 20 0 EDADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352508585 162218508 /nfs/dbraw/zinc/21/85/08/162218508.db2.gz HVYQCWQXQLQRBM-WBVHZDCISA-N 2 2 346.475 1.392 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352509896 162220729 /nfs/dbraw/zinc/22/07/29/162220729.db2.gz LXTMJJQGCJYUFR-MRXNPFEDSA-N 2 2 332.448 1.530 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352509896 162220731 /nfs/dbraw/zinc/22/07/31/162220731.db2.gz LXTMJJQGCJYUFR-MRXNPFEDSA-N 2 2 332.448 1.530 20 0 EDADLP Fc1ccc(-n2cc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000352535175 162237412 /nfs/dbraw/zinc/23/74/12/162237412.db2.gz NPRJRHCJKOEFJR-SFHVURJKSA-N 2 2 329.423 1.491 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360535804 162296214 /nfs/dbraw/zinc/29/62/14/162296214.db2.gz RDNPRTNQKNFMOO-LJQANCHMSA-N 2 2 347.459 1.013 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360535804 162296217 /nfs/dbraw/zinc/29/62/17/162296217.db2.gz RDNPRTNQKNFMOO-LJQANCHMSA-N 2 2 347.459 1.013 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1cn2ccccc2[nH+]1 ZINC000366433145 162381341 /nfs/dbraw/zinc/38/13/41/162381341.db2.gz CGTANWWATWKNGL-ZACQAIPSSA-N 2 2 342.443 1.587 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000074110290 287267622 /nfs/dbraw/zinc/26/76/22/287267622.db2.gz RURQPBQDAUAMKD-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000074372178 287270612 /nfs/dbraw/zinc/27/06/12/287270612.db2.gz NZOSEUBLKJESON-HNNXBMFYSA-N 2 2 337.468 1.307 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079733867 287302770 /nfs/dbraw/zinc/30/27/70/287302770.db2.gz SLTHTKIIKPGHSL-AEFFLSMTSA-N 2 2 348.491 1.179 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000080674366 287308683 /nfs/dbraw/zinc/30/86/83/287308683.db2.gz XRDZEABPPNDBCI-SJORKVTESA-N 2 2 342.528 1.904 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000418379713 304488558 /nfs/dbraw/zinc/48/85/58/304488558.db2.gz GTDVWCULYSYDCJ-AWEZNQCLSA-N 2 2 348.495 1.596 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000123099770 222216006 /nfs/dbraw/zinc/21/60/06/222216006.db2.gz VJGSARCXAAOHED-QZTJIDSGSA-N 2 2 337.508 1.724 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000418448698 304496278 /nfs/dbraw/zinc/49/62/78/304496278.db2.gz JJHJOQPJYWSCDD-SJORKVTESA-N 2 2 332.448 1.193 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237200456 267926054 /nfs/dbraw/zinc/92/60/54/267926054.db2.gz MKKAVQPCOWNHFK-QGZVFWFLSA-N 2 2 342.443 1.658 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000275848848 268378218 /nfs/dbraw/zinc/37/82/18/268378218.db2.gz YGOCSCHNUQQSCZ-MRXNPFEDSA-N 2 2 348.495 1.424 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000275848848 268378219 /nfs/dbraw/zinc/37/82/19/268378219.db2.gz YGOCSCHNUQQSCZ-MRXNPFEDSA-N 2 2 348.495 1.424 20 0 EDADLP CCC[NH+](CC)CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275848848 268378220 /nfs/dbraw/zinc/37/82/20/268378220.db2.gz YGOCSCHNUQQSCZ-MRXNPFEDSA-N 2 2 348.495 1.424 20 0 EDADLP CCC[NH+](CC)CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275848848 268378221 /nfs/dbraw/zinc/37/82/21/268378221.db2.gz YGOCSCHNUQQSCZ-MRXNPFEDSA-N 2 2 348.495 1.424 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)CC1 ZINC000109789158 272923687 /nfs/dbraw/zinc/92/36/87/272923687.db2.gz YBFKHZHEQBFSQG-UHFFFAOYSA-N 2 2 347.463 1.323 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276131467 273150905 /nfs/dbraw/zinc/15/09/05/273150905.db2.gz IWFKGDIWDWJMJE-UHFFFAOYSA-N 2 2 329.448 1.866 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000280573079 273372855 /nfs/dbraw/zinc/37/28/55/273372855.db2.gz RKPCVZTXYYJLEJ-UHFFFAOYSA-N 2 2 344.459 1.652 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)[NH+](C)C)cc1 ZINC000280796575 273399540 /nfs/dbraw/zinc/39/95/40/273399540.db2.gz OZAMFXSASPTPRC-AEFFLSMTSA-N 2 2 343.475 1.750 20 0 EDADLP CN(C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)C(=O)CCn1cc[nH+]c1 ZINC000281334794 273462593 /nfs/dbraw/zinc/46/25/93/273462593.db2.gz WNEFMEUVYQMRKJ-GJZGRUSLSA-N 2 2 348.426 1.078 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000158684452 287696846 /nfs/dbraw/zinc/69/68/46/287696846.db2.gz FWEBPTHKGLBTHX-JSMHICHCSA-N 2 2 334.464 1.920 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000283919474 274011012 /nfs/dbraw/zinc/01/10/12/274011012.db2.gz KCRUFORPZVPBPL-GJZGRUSLSA-N 2 2 347.463 1.454 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC(C)(C)C2=O)[C@H]1c1ccccc1 ZINC000284227807 274124629 /nfs/dbraw/zinc/12/46/29/274124629.db2.gz KCXHCBNTFPIHNA-JKSUJKDBSA-N 2 2 344.459 1.742 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC(C)(C)C2=O)[C@H]1c1ccccc1 ZINC000284227807 274124631 /nfs/dbraw/zinc/12/46/31/274124631.db2.gz KCXHCBNTFPIHNA-JKSUJKDBSA-N 2 2 344.459 1.742 20 0 EDADLP NC(=O)[C@H]1CCO[C@@H]1C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000284616503 274265470 /nfs/dbraw/zinc/26/54/70/274265470.db2.gz SKUINXTWIYHMHG-DOTOQJQBSA-N 2 2 328.416 1.437 20 0 EDADLP CNC(=O)[C@@]1(C)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284752148 274318223 /nfs/dbraw/zinc/31/82/23/274318223.db2.gz LMKLZGHALNXBGN-QUCCMNQESA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284752148 274318225 /nfs/dbraw/zinc/31/82/25/274318225.db2.gz LMKLZGHALNXBGN-QUCCMNQESA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)[C@@]1(C)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284752148 274318227 /nfs/dbraw/zinc/31/82/27/274318227.db2.gz LMKLZGHALNXBGN-QUCCMNQESA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)[C@@]1(C)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284752148 274318229 /nfs/dbraw/zinc/31/82/29/274318229.db2.gz LMKLZGHALNXBGN-QUCCMNQESA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000369369289 277028304 /nfs/dbraw/zinc/02/83/04/277028304.db2.gz GEVZVLSYLZYPDB-SFHVURJKSA-N 2 2 342.487 1.923 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000369369289 277028305 /nfs/dbraw/zinc/02/83/05/277028305.db2.gz GEVZVLSYLZYPDB-SFHVURJKSA-N 2 2 342.487 1.923 20 0 EDADLP C[N@@H+]1CC[C@H]2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)[C@H]2C1 ZINC000368489370 277176910 /nfs/dbraw/zinc/17/69/10/277176910.db2.gz ABWJPOJXOYXUQW-IRXDYDNUSA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+]1CC[C@H]2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)[C@H]2C1 ZINC000368489370 277176911 /nfs/dbraw/zinc/17/69/11/277176911.db2.gz ABWJPOJXOYXUQW-IRXDYDNUSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CC[C@H]2CC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)[C@H]2C1 ZINC000368489370 277176912 /nfs/dbraw/zinc/17/69/12/277176912.db2.gz ABWJPOJXOYXUQW-IRXDYDNUSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CC[C@H]2CC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)[C@H]2C1 ZINC000368489370 277176913 /nfs/dbraw/zinc/17/69/13/277176913.db2.gz ABWJPOJXOYXUQW-IRXDYDNUSA-N 2 2 344.459 1.429 20 0 EDADLP CC(C)CN(C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000371294963 277370726 /nfs/dbraw/zinc/37/07/26/277370726.db2.gz OAILYAISNGRSBA-FGTMMUONSA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)CN(C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000371294963 277370728 /nfs/dbraw/zinc/37/07/28/277370728.db2.gz OAILYAISNGRSBA-FGTMMUONSA-N 2 2 337.508 1.817 20 0 EDADLP Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000423153361 279324883 /nfs/dbraw/zinc/32/48/83/279324883.db2.gz NGPJTVFVPYPULG-QKCSRTOESA-N 2 2 343.269 1.429 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000422813774 279368926 /nfs/dbraw/zinc/36/89/26/279368926.db2.gz ZUGACYSTIGOAMC-BHIYHBOVSA-N 2 2 333.476 1.417 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000287159365 288169321 /nfs/dbraw/zinc/16/93/21/288169321.db2.gz OLBIDWUXSQRNOW-KBPBESRZSA-N 2 2 340.493 1.371 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000287213373 288182062 /nfs/dbraw/zinc/18/20/62/288182062.db2.gz PJLUJVRAPCGNKH-RBSFLKMASA-N 2 2 347.463 1.105 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[NH+](C)C ZINC000106904369 280172718 /nfs/dbraw/zinc/17/27/18/280172718.db2.gz FNYBIPRMTJISLP-ZWKOTPCHSA-N 2 2 333.476 1.762 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000422206958 280357253 /nfs/dbraw/zinc/35/72/53/280357253.db2.gz LNYGIIHSUQIDKO-NVXWUHKLSA-N 2 2 334.464 1.685 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000422206958 280357254 /nfs/dbraw/zinc/35/72/54/280357254.db2.gz LNYGIIHSUQIDKO-NVXWUHKLSA-N 2 2 334.464 1.685 20 0 EDADLP CC[C@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000422243936 281237767 /nfs/dbraw/zinc/23/77/67/281237767.db2.gz ZTYAWSHJQKBJIU-WBVHZDCISA-N 2 2 340.512 1.611 20 0 EDADLP CC[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000422243936 281237771 /nfs/dbraw/zinc/23/77/71/281237771.db2.gz ZTYAWSHJQKBJIU-WBVHZDCISA-N 2 2 340.512 1.611 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CCc3[nH]cc[nH+]3)nc2)C1 ZINC000287834916 288334880 /nfs/dbraw/zinc/33/48/80/288334880.db2.gz CKLAEGFGIAXZDW-CQSZACIVSA-N 2 2 328.420 1.516 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000290628555 288927136 /nfs/dbraw/zinc/92/71/36/288927136.db2.gz IXCXDDHFSZRMNW-UHFFFAOYSA-N 2 2 329.404 1.663 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291307875 289034941 /nfs/dbraw/zinc/03/49/41/289034941.db2.gz SRXCDBDNFVDFRM-KBXCAEBGSA-N 2 2 346.475 1.712 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291307875 289034942 /nfs/dbraw/zinc/03/49/42/289034942.db2.gz SRXCDBDNFVDFRM-KBXCAEBGSA-N 2 2 346.475 1.712 20 0 EDADLP Cn1c[nH+]c2c1CCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC000370687358 289277721 /nfs/dbraw/zinc/27/77/21/289277721.db2.gz CNPTXWBNIVOCTP-SFHVURJKSA-N 2 2 341.459 1.197 20 0 EDADLP COCC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000292171273 289280484 /nfs/dbraw/zinc/28/04/84/289280484.db2.gz PSLGTMFPDUBFNY-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP COCC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000292171273 289280486 /nfs/dbraw/zinc/28/04/86/289280486.db2.gz PSLGTMFPDUBFNY-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292287533 289307162 /nfs/dbraw/zinc/30/71/62/289307162.db2.gz VBUBFCYWWYMGSZ-YJBOKZPZSA-N 2 2 333.476 1.886 20 0 EDADLP OC[C@@H]1CC[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)O1 ZINC000292359725 289325527 /nfs/dbraw/zinc/32/55/27/289325527.db2.gz QXDNFWXHMCRCPT-OLZOCXBDSA-N 2 2 326.360 1.162 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C2)C1 ZINC000356311707 290003780 /nfs/dbraw/zinc/00/37/80/290003780.db2.gz KIWRVUMZPOXJPG-MJGOQNOKSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C2)C1 ZINC000356311707 290003783 /nfs/dbraw/zinc/00/37/83/290003783.db2.gz KIWRVUMZPOXJPG-MJGOQNOKSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)C1 ZINC000356311707 290003786 /nfs/dbraw/zinc/00/37/86/290003786.db2.gz KIWRVUMZPOXJPG-MJGOQNOKSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)C1 ZINC000356311707 290003788 /nfs/dbraw/zinc/00/37/88/290003788.db2.gz KIWRVUMZPOXJPG-MJGOQNOKSA-N 2 2 335.492 1.574 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2=O)n1 ZINC000158888570 294347293 /nfs/dbraw/zinc/34/72/93/294347293.db2.gz ZJXRIHQCZXJPFP-BZUAXINKSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2=O)n1 ZINC000158888570 294347296 /nfs/dbraw/zinc/34/72/96/294347296.db2.gz ZJXRIHQCZXJPFP-BZUAXINKSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)n1 ZINC000158888570 294347298 /nfs/dbraw/zinc/34/72/98/294347298.db2.gz ZJXRIHQCZXJPFP-BZUAXINKSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2=O)n1 ZINC000158888570 294347299 /nfs/dbraw/zinc/34/72/99/294347299.db2.gz ZJXRIHQCZXJPFP-BZUAXINKSA-N 2 2 331.464 1.332 20 0 EDADLP COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000420328654 295179087 /nfs/dbraw/zinc/17/90/87/295179087.db2.gz IGPUVZQWWVKAGR-KVULBXGLSA-N 2 2 347.459 1.789 20 0 EDADLP COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000420328654 295179089 /nfs/dbraw/zinc/17/90/89/295179089.db2.gz IGPUVZQWWVKAGR-KVULBXGLSA-N 2 2 347.459 1.789 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000261948428 295225778 /nfs/dbraw/zinc/22/57/78/295225778.db2.gz FQBKKXSXIYXWGT-HNNXBMFYSA-N 2 2 349.866 1.807 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000261948428 295225779 /nfs/dbraw/zinc/22/57/79/295225779.db2.gz FQBKKXSXIYXWGT-HNNXBMFYSA-N 2 2 349.866 1.807 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C)CCCC[NH3+])CC2)s1 ZINC000418692745 304528776 /nfs/dbraw/zinc/52/87/76/304528776.db2.gz JBNGQYGLEZGSQG-CYBMUJFWSA-N 2 2 339.509 1.796 20 0 EDADLP Cc1ccncc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000377715338 447311624 /nfs/dbraw/zinc/31/16/24/447311624.db2.gz KFYYWFJDWAAUNQ-YQQQUEKLSA-N 2 2 344.503 1.996 20 0 EDADLP Cc1ccncc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000377715338 447311631 /nfs/dbraw/zinc/31/16/31/447311631.db2.gz KFYYWFJDWAAUNQ-YQQQUEKLSA-N 2 2 344.503 1.996 20 0 EDADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000419981910 304720250 /nfs/dbraw/zinc/72/02/50/304720250.db2.gz UXINDSDSBHJUEL-OAHLLOKOSA-N 2 2 347.463 1.140 20 0 EDADLP COc1ccc(CNC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1OC ZINC000420379236 304753859 /nfs/dbraw/zinc/75/38/59/304753859.db2.gz XOTXJHNBUALYRG-ZJNRKIDTSA-N 2 2 335.448 1.296 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000662527378 453249146 /nfs/dbraw/zinc/24/91/46/453249146.db2.gz VMLVDIJDSSQCCD-LBPRGKRZSA-N 2 2 325.457 1.494 20 0 EDADLP COCCOc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1Cl ZINC000653075559 453254391 /nfs/dbraw/zinc/25/43/91/453254391.db2.gz RCSQMWHGCLXZPQ-CYBMUJFWSA-N 2 2 329.828 1.583 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)CCN1C ZINC000423863054 302995640 /nfs/dbraw/zinc/99/56/40/302995640.db2.gz HEBJZNOJAOYPSD-MAUKXSAKSA-N 2 2 327.432 1.109 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000294439596 303107455 /nfs/dbraw/zinc/10/74/55/303107455.db2.gz ZUJQZDXSNSPZKP-AWEZNQCLSA-N 2 2 348.447 1.485 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000294439596 303107456 /nfs/dbraw/zinc/10/74/56/303107456.db2.gz ZUJQZDXSNSPZKP-AWEZNQCLSA-N 2 2 348.447 1.485 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC(=O)N1 ZINC000295045774 303166953 /nfs/dbraw/zinc/16/69/53/303166953.db2.gz PCBWZEIHSHNULA-HNNXBMFYSA-N 2 2 330.476 1.537 20 0 EDADLP C[C@H]([N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)O ZINC000295140660 303178617 /nfs/dbraw/zinc/17/86/17/303178617.db2.gz KWKQIAWEGHGMHY-AWEZNQCLSA-N 2 2 339.505 1.484 20 0 EDADLP C[C@H]([N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)O ZINC000295140660 303178619 /nfs/dbraw/zinc/17/86/19/303178619.db2.gz KWKQIAWEGHGMHY-AWEZNQCLSA-N 2 2 339.505 1.484 20 0 EDADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295911270 303282516 /nfs/dbraw/zinc/28/25/16/303282516.db2.gz IXXPSQWVEIGVNA-HNNXBMFYSA-N 2 2 332.448 1.613 20 0 EDADLP CCN(C)C(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295911270 303282519 /nfs/dbraw/zinc/28/25/19/303282519.db2.gz IXXPSQWVEIGVNA-HNNXBMFYSA-N 2 2 332.448 1.613 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000296788543 303338406 /nfs/dbraw/zinc/33/84/06/303338406.db2.gz NYFNURNVEVINEC-SFHVURJKSA-N 2 2 343.471 1.888 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000296788543 303338407 /nfs/dbraw/zinc/33/84/07/303338407.db2.gz NYFNURNVEVINEC-SFHVURJKSA-N 2 2 343.471 1.888 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000297070282 303359021 /nfs/dbraw/zinc/35/90/21/303359021.db2.gz MDYQUKADSRCKDC-CQSZACIVSA-N 2 2 333.436 1.300 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000297070282 303359024 /nfs/dbraw/zinc/35/90/24/303359024.db2.gz MDYQUKADSRCKDC-CQSZACIVSA-N 2 2 333.436 1.300 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)C1 ZINC000297137860 303364212 /nfs/dbraw/zinc/36/42/12/303364212.db2.gz CIKDMORQGRXTLB-VQIMIIECSA-N 2 2 343.475 1.788 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000664915020 453479251 /nfs/dbraw/zinc/47/92/51/453479251.db2.gz DJERVBZNCSMWKA-ARFHVFGLSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000664915020 453479255 /nfs/dbraw/zinc/47/92/55/453479255.db2.gz DJERVBZNCSMWKA-ARFHVFGLSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664915020 453479264 /nfs/dbraw/zinc/47/92/64/453479264.db2.gz DJERVBZNCSMWKA-ARFHVFGLSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664915020 453479270 /nfs/dbraw/zinc/47/92/70/453479270.db2.gz DJERVBZNCSMWKA-ARFHVFGLSA-N 2 2 328.501 1.515 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000411136022 303886283 /nfs/dbraw/zinc/88/62/83/303886283.db2.gz QKNYJYQOPDWCKH-CQSZACIVSA-N 2 2 332.448 1.936 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420917156 304783577 /nfs/dbraw/zinc/78/35/77/304783577.db2.gz QSLRZGWLJPJBCQ-HXUWFJFHSA-N 2 2 347.503 1.407 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493583026 447347176 /nfs/dbraw/zinc/34/71/76/447347176.db2.gz UKMZPTWPFYDQEU-HOTGVXAUSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493583026 447347179 /nfs/dbraw/zinc/34/71/79/447347179.db2.gz UKMZPTWPFYDQEU-HOTGVXAUSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422995807 304882534 /nfs/dbraw/zinc/88/25/34/304882534.db2.gz ZIGZIPCYYGKDJD-DGCLKSJQSA-N 2 2 333.354 1.836 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423102250 304886265 /nfs/dbraw/zinc/88/62/65/304886265.db2.gz DSEAFAYYAFZEHC-SJORKVTESA-N 2 2 343.427 1.029 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000423110384 304886731 /nfs/dbraw/zinc/88/67/31/304886731.db2.gz HTGGHDCFNOJINR-IKGGRYGDSA-N 2 2 347.459 1.023 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423401447 304894642 /nfs/dbraw/zinc/89/46/42/304894642.db2.gz QWKSSSBWPBJEFF-ZENOOKHLSA-N 2 2 325.478 1.728 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423573190 304899102 /nfs/dbraw/zinc/89/91/02/304899102.db2.gz ZDUPRACNKIHULC-DZGCQCFKSA-N 2 2 325.478 1.730 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1ccccc1O)[C@H]1CC12CC[NH2+]CC2 ZINC000423580474 304899845 /nfs/dbraw/zinc/89/98/45/304899845.db2.gz RXKOIWXPVWOVNS-INIZCTEOSA-N 2 2 340.427 1.910 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000423853329 304912478 /nfs/dbraw/zinc/91/24/78/304912478.db2.gz WROVXQHRJPYUOT-LJQANCHMSA-N 2 2 346.475 1.807 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000427295772 304988161 /nfs/dbraw/zinc/98/81/61/304988161.db2.gz QDXYMJAYYIJQGL-RDJZCZTQSA-N 2 2 341.521 1.090 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428038433 305004925 /nfs/dbraw/zinc/00/49/25/305004925.db2.gz NUCNDTUEENDQLW-AEFFLSMTSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428038433 305004926 /nfs/dbraw/zinc/00/49/26/305004926.db2.gz NUCNDTUEENDQLW-AEFFLSMTSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000428056442 305006110 /nfs/dbraw/zinc/00/61/10/305006110.db2.gz UOXOPXIWOUKOIR-GDBMZVCRSA-N 2 2 330.432 1.635 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C ZINC000428056442 305006111 /nfs/dbraw/zinc/00/61/11/305006111.db2.gz UOXOPXIWOUKOIR-GDBMZVCRSA-N 2 2 330.432 1.635 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000430256114 305049085 /nfs/dbraw/zinc/04/90/85/305049085.db2.gz JXLCTZMZPBIABU-INIZCTEOSA-N 2 2 333.480 1.961 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430571211 305056434 /nfs/dbraw/zinc/05/64/34/305056434.db2.gz LPNVWJHWGOIVAR-DNVCBOLYSA-N 2 2 349.475 1.638 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)n(-c2ccccc2F)n1 ZINC000430611222 305058698 /nfs/dbraw/zinc/05/86/98/305058698.db2.gz NPRFAFSSAWHILT-AWEZNQCLSA-N 2 2 345.422 1.929 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)n(-c2ccccc2F)n1 ZINC000430611222 305058699 /nfs/dbraw/zinc/05/86/99/305058699.db2.gz NPRFAFSSAWHILT-AWEZNQCLSA-N 2 2 345.422 1.929 20 0 EDADLP CCCCc1nc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000430619867 305059567 /nfs/dbraw/zinc/05/95/67/305059567.db2.gz GWBYMMYQDTWRQN-AWEZNQCLSA-N 2 2 335.452 1.056 20 0 EDADLP CCCCc1nc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000430619867 305059568 /nfs/dbraw/zinc/05/95/68/305059568.db2.gz GWBYMMYQDTWRQN-AWEZNQCLSA-N 2 2 335.452 1.056 20 0 EDADLP [NH3+]C[C@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000430894060 305067260 /nfs/dbraw/zinc/06/72/60/305067260.db2.gz LBNWHXRFBYNDFS-LBPRGKRZSA-N 2 2 326.322 1.804 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000430927647 305068708 /nfs/dbraw/zinc/06/87/08/305068708.db2.gz RPNHLLSCFDAXJA-ZNMIVQPWSA-N 2 2 349.475 1.811 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000430927647 305068709 /nfs/dbraw/zinc/06/87/09/305068709.db2.gz RPNHLLSCFDAXJA-ZNMIVQPWSA-N 2 2 349.475 1.811 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968860 305071607 /nfs/dbraw/zinc/07/16/07/305071607.db2.gz XPVBDBLXIAHYPK-ZBFHGGJFSA-N 2 2 349.475 1.721 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968860 305071608 /nfs/dbraw/zinc/07/16/08/305071608.db2.gz XPVBDBLXIAHYPK-ZBFHGGJFSA-N 2 2 349.475 1.721 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430973363 305071862 /nfs/dbraw/zinc/07/18/62/305071862.db2.gz UAMQTYXOMCOJMV-MAUKXSAKSA-N 2 2 333.476 1.897 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430973363 305071863 /nfs/dbraw/zinc/07/18/63/305071863.db2.gz UAMQTYXOMCOJMV-MAUKXSAKSA-N 2 2 333.476 1.897 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430972643 305071891 /nfs/dbraw/zinc/07/18/91/305071891.db2.gz QJGUSDIXROGFFY-MAUKXSAKSA-N 2 2 341.459 1.200 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430972643 305071892 /nfs/dbraw/zinc/07/18/92/305071892.db2.gz QJGUSDIXROGFFY-MAUKXSAKSA-N 2 2 341.459 1.200 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000431989756 305085477 /nfs/dbraw/zinc/08/54/77/305085477.db2.gz DNXAUYYAHPOXNF-ULQDDVLXSA-N 2 2 340.512 1.517 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000431989756 305085478 /nfs/dbraw/zinc/08/54/78/305085478.db2.gz DNXAUYYAHPOXNF-ULQDDVLXSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)[C@@H](C)C1 ZINC000432142582 305088059 /nfs/dbraw/zinc/08/80/59/305088059.db2.gz IBMWRROTZZHILR-JYJNAYRXSA-N 2 2 333.480 1.604 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)[C@@H](C)C1 ZINC000432142582 305088060 /nfs/dbraw/zinc/08/80/60/305088060.db2.gz IBMWRROTZZHILR-JYJNAYRXSA-N 2 2 333.480 1.604 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435611823 305143270 /nfs/dbraw/zinc/14/32/70/305143270.db2.gz UKAHZORXLGOHSO-KRWDZBQOSA-N 2 2 333.476 1.872 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435611823 305143271 /nfs/dbraw/zinc/14/32/71/305143271.db2.gz UKAHZORXLGOHSO-KRWDZBQOSA-N 2 2 333.476 1.872 20 0 EDADLP Cc1ncsc1C[N@H+](CCN1C(=O)CCC1=O)C[C@@H]1CC[NH2+]C1 ZINC000435736037 305146604 /nfs/dbraw/zinc/14/66/04/305146604.db2.gz SRBRDXKBIICXEV-CYBMUJFWSA-N 2 2 336.461 1.012 20 0 EDADLP Cc1ncsc1C[N@@H+](CCN1C(=O)CCC1=O)C[C@@H]1CC[NH2+]C1 ZINC000435736037 305146605 /nfs/dbraw/zinc/14/66/05/305146605.db2.gz SRBRDXKBIICXEV-CYBMUJFWSA-N 2 2 336.461 1.012 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438897587 305190935 /nfs/dbraw/zinc/19/09/35/305190935.db2.gz VXCSIJYEVWPAAH-KRWDZBQOSA-N 2 2 344.459 1.218 20 0 EDADLP C[C@@H](O)CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000438988871 305192660 /nfs/dbraw/zinc/19/26/60/305192660.db2.gz XPDGIEYXEFBNAG-MSOLQXFVSA-N 2 2 332.492 1.687 20 0 EDADLP C[C@@H](O)CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000438988871 305192661 /nfs/dbraw/zinc/19/26/61/305192661.db2.gz XPDGIEYXEFBNAG-MSOLQXFVSA-N 2 2 332.492 1.687 20 0 EDADLP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000443343460 305238007 /nfs/dbraw/zinc/23/80/07/305238007.db2.gz PBICSZXOZJOVDH-NUJGCVRESA-N 2 2 349.475 1.405 20 0 EDADLP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000443343460 305238008 /nfs/dbraw/zinc/23/80/08/305238008.db2.gz PBICSZXOZJOVDH-NUJGCVRESA-N 2 2 349.475 1.405 20 0 EDADLP CS[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451323519 305338902 /nfs/dbraw/zinc/33/89/02/305338902.db2.gz IPVKPVWWMRVABS-LSDHHAIUSA-N 2 2 334.489 1.556 20 0 EDADLP CS[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451323519 305338903 /nfs/dbraw/zinc/33/89/03/305338903.db2.gz IPVKPVWWMRVABS-LSDHHAIUSA-N 2 2 334.489 1.556 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)cn1 ZINC000457548387 305491124 /nfs/dbraw/zinc/49/11/24/305491124.db2.gz YBTDXJLQQKENRD-UHFFFAOYSA-N 2 2 345.491 1.329 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000497079423 305681448 /nfs/dbraw/zinc/68/14/48/305681448.db2.gz IECKYRRPNCUSMS-AWEZNQCLSA-N 2 2 329.485 1.725 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000449122102 447362023 /nfs/dbraw/zinc/36/20/23/447362023.db2.gz KELMTYLVOCXFKT-KRWDZBQOSA-N 2 2 327.432 1.073 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000528348155 305870249 /nfs/dbraw/zinc/87/02/49/305870249.db2.gz JFZMLQRXQYWMGZ-INIZCTEOSA-N 2 2 348.491 1.696 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)c[nH+]c1N1CCCC[C@@H]1C ZINC000528685490 305884127 /nfs/dbraw/zinc/88/41/27/305884127.db2.gz HSBXIXDPOSGDNQ-GOEBONIOSA-N 2 2 347.463 1.879 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000414936548 447363923 /nfs/dbraw/zinc/36/39/23/447363923.db2.gz CYGOACCLHPYLFZ-ZFWWWQNUSA-N 2 2 335.448 1.440 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH2+]C[C@H]2C(C)C)cn1 ZINC000529311037 305907823 /nfs/dbraw/zinc/90/78/23/305907823.db2.gz ZWILWJRHGSPKLU-INIZCTEOSA-N 2 2 342.447 1.715 20 0 EDADLP CC(C)Oc1ccccc1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530220833 305934506 /nfs/dbraw/zinc/93/45/06/305934506.db2.gz DAUUYRSZYLZWDN-UHFFFAOYSA-N 2 2 346.475 1.617 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000531898661 305970588 /nfs/dbraw/zinc/97/05/88/305970588.db2.gz WBVKIQKTXLGDKR-INIZCTEOSA-N 2 2 340.427 1.709 20 0 EDADLP CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000539775202 306036563 /nfs/dbraw/zinc/03/65/63/306036563.db2.gz IIBGZXSORAQPRP-INIZCTEOSA-N 2 2 348.472 1.646 20 0 EDADLP CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000539775202 306036564 /nfs/dbraw/zinc/03/65/64/306036564.db2.gz IIBGZXSORAQPRP-INIZCTEOSA-N 2 2 348.472 1.646 20 0 EDADLP CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[NH+](CC)CC ZINC000545188069 306081712 /nfs/dbraw/zinc/08/17/12/306081712.db2.gz OPPKYZJVEIQOSH-ZACQAIPSSA-N 2 2 325.497 1.866 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000545964047 306088600 /nfs/dbraw/zinc/08/86/00/306088600.db2.gz YNZSQSGCWKNLKX-INIZCTEOSA-N 2 2 331.464 1.563 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000545964047 306088601 /nfs/dbraw/zinc/08/86/01/306088601.db2.gz YNZSQSGCWKNLKX-INIZCTEOSA-N 2 2 331.464 1.563 20 0 EDADLP O=C1CC[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H](C2CC2)N1 ZINC000551416508 306158040 /nfs/dbraw/zinc/15/80/40/306158040.db2.gz ODOMBKKIFHAJBO-CMKODMSKSA-N 2 2 343.471 1.052 20 0 EDADLP O=C1CC[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H](C2CC2)N1 ZINC000551416508 306158041 /nfs/dbraw/zinc/15/80/41/306158041.db2.gz ODOMBKKIFHAJBO-CMKODMSKSA-N 2 2 343.471 1.052 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000556638043 306212389 /nfs/dbraw/zinc/21/23/89/306212389.db2.gz YCIFBNPKTOUJBF-ALOPSCKCSA-N 2 2 343.475 1.847 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000556638043 306212390 /nfs/dbraw/zinc/21/23/90/306212390.db2.gz YCIFBNPKTOUJBF-ALOPSCKCSA-N 2 2 343.475 1.847 20 0 EDADLP CC(C)C(=O)Nc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000556938083 306221419 /nfs/dbraw/zinc/22/14/19/306221419.db2.gz WXVUUUPHKWPWRG-OAHLLOKOSA-N 2 2 333.436 1.388 20 0 EDADLP Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000557175551 306225451 /nfs/dbraw/zinc/22/54/51/306225451.db2.gz OFULCEDPIURGKX-KURKYZTESA-N 2 2 346.475 1.499 20 0 EDADLP Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000557175551 306225452 /nfs/dbraw/zinc/22/54/52/306225452.db2.gz OFULCEDPIURGKX-KURKYZTESA-N 2 2 346.475 1.499 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H](C)[NH+]2CC(C)C2)[NH+]2CCOCC2)c1 ZINC000557523146 306228944 /nfs/dbraw/zinc/22/89/44/306228944.db2.gz JBNQUQWFEMBBBH-MJGOQNOKSA-N 2 2 345.487 1.825 20 0 EDADLP O=C(NCCC[NH+]1CCCC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000045121514 440952180 /nfs/dbraw/zinc/95/21/80/440952180.db2.gz IRGACDABMSXBBF-UHFFFAOYSA-N 2 2 347.463 1.203 20 0 EDADLP C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000070886182 441124438 /nfs/dbraw/zinc/12/44/38/441124438.db2.gz LCOPIXPFWQGUSD-RDJZCZTQSA-N 2 2 341.496 1.055 20 0 EDADLP C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000070886182 441124441 /nfs/dbraw/zinc/12/44/41/441124441.db2.gz LCOPIXPFWQGUSD-RDJZCZTQSA-N 2 2 341.496 1.055 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000057818792 441136355 /nfs/dbraw/zinc/13/63/55/441136355.db2.gz IUZMNZOKYLNJLD-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000057818792 441136356 /nfs/dbraw/zinc/13/63/56/441136356.db2.gz IUZMNZOKYLNJLD-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000071870435 441175518 /nfs/dbraw/zinc/17/55/18/441175518.db2.gz HKZCBKGPORHUSW-CABCVRRESA-N 2 2 326.404 1.361 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000071870435 441175521 /nfs/dbraw/zinc/17/55/21/441175521.db2.gz HKZCBKGPORHUSW-CABCVRRESA-N 2 2 326.404 1.361 20 0 EDADLP C[C@H]1CCC[C@@](CNC(=O)N(C)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000105173864 441239734 /nfs/dbraw/zinc/23/97/34/441239734.db2.gz ZCOJLQTVVGJBJS-FUHWJXTLSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000080746921 441193718 /nfs/dbraw/zinc/19/37/18/441193718.db2.gz ZEFBRXYHWICSFV-UHFFFAOYSA-N 2 2 340.493 1.904 20 0 EDADLP O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000104946384 441223616 /nfs/dbraw/zinc/22/36/16/441223616.db2.gz FQRRTSUEHLUMJB-INIZCTEOSA-N 2 2 348.443 1.715 20 0 EDADLP COc1ccc([C@@H](CNC(=O)Cn2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000072799729 441260563 /nfs/dbraw/zinc/26/05/63/441260563.db2.gz ISPQBGGZYMHVRO-QGZVFWFLSA-N 2 2 328.416 1.845 20 0 EDADLP C[C@H](CCNC(=O)NCC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000081673913 441302088 /nfs/dbraw/zinc/30/20/88/441302088.db2.gz OCZXWUIJIHYVOB-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@H](CCNC(=O)NCC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000081673913 441302093 /nfs/dbraw/zinc/30/20/93/441302093.db2.gz OCZXWUIJIHYVOB-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000073846127 441360694 /nfs/dbraw/zinc/36/06/94/441360694.db2.gz KVTRKJIDTSVFNN-SFHVURJKSA-N 2 2 344.503 1.357 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000073846127 441360696 /nfs/dbraw/zinc/36/06/96/441360696.db2.gz KVTRKJIDTSVFNN-SFHVURJKSA-N 2 2 344.503 1.357 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+](C)CC1 ZINC000074255646 441413385 /nfs/dbraw/zinc/41/33/85/441413385.db2.gz AYSHHKPZUDIOPR-INIZCTEOSA-N 2 2 341.459 1.297 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CC(N)=O)C3CCCC3)c2cc1C ZINC000052844408 441479868 /nfs/dbraw/zinc/47/98/68/441479868.db2.gz UDACCRXJBGTWEY-MRXNPFEDSA-N 2 2 344.459 1.744 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](CC(N)=O)C3CCCC3)c2cc1C ZINC000052844408 441479872 /nfs/dbraw/zinc/47/98/72/441479872.db2.gz UDACCRXJBGTWEY-MRXNPFEDSA-N 2 2 344.459 1.744 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000052529719 441457278 /nfs/dbraw/zinc/45/72/78/441457278.db2.gz JGHFUQTYVSGMCF-MRXNPFEDSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000052529719 441457282 /nfs/dbraw/zinc/45/72/82/441457282.db2.gz JGHFUQTYVSGMCF-MRXNPFEDSA-N 2 2 331.464 1.834 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110812929 441524512 /nfs/dbraw/zinc/52/45/12/441524512.db2.gz PYDPIALBOCDZQK-QGZVFWFLSA-N 2 2 331.460 1.590 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110812929 441524516 /nfs/dbraw/zinc/52/45/16/441524516.db2.gz PYDPIALBOCDZQK-QGZVFWFLSA-N 2 2 331.460 1.590 20 0 EDADLP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CN(C4CC4)CCO3)CC2)nc1 ZINC000089682477 441570408 /nfs/dbraw/zinc/57/04/08/441570408.db2.gz CEAXDZPFSNCELE-LJQANCHMSA-N 2 2 330.476 1.499 20 0 EDADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000090047400 441617273 /nfs/dbraw/zinc/61/72/73/441617273.db2.gz DLPRYUTZYIFVIT-QWHCGFSZSA-N 2 2 345.285 1.735 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000076320093 441629602 /nfs/dbraw/zinc/62/96/02/441629602.db2.gz BAAUWJVICUSXBK-KRWDZBQOSA-N 2 2 345.491 1.050 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000076320093 441629605 /nfs/dbraw/zinc/62/96/05/441629605.db2.gz BAAUWJVICUSXBK-KRWDZBQOSA-N 2 2 345.491 1.050 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478497 441661644 /nfs/dbraw/zinc/66/16/44/441661644.db2.gz QLAIWOFNIDOOQU-ZIAGYGMSSA-N 2 2 332.448 1.257 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478497 441661648 /nfs/dbraw/zinc/66/16/48/441661648.db2.gz QLAIWOFNIDOOQU-ZIAGYGMSSA-N 2 2 332.448 1.257 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N(C)CCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000137021868 441740084 /nfs/dbraw/zinc/74/00/84/441740084.db2.gz WPMPTFAFCMULIW-HZPDHXFCSA-N 2 2 337.468 1.414 20 0 EDADLP C[NH2+]CCCNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000121693451 441759977 /nfs/dbraw/zinc/75/99/77/441759977.db2.gz YDKRFSVCSYYRRL-UHFFFAOYSA-N 2 2 348.428 1.222 20 0 EDADLP C[NH+](C)CCC1CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000056524809 441722119 /nfs/dbraw/zinc/72/21/19/441722119.db2.gz PDTUGPVOHGQLRJ-UHFFFAOYSA-N 2 2 328.464 1.885 20 0 EDADLP CCC[C@@H](C(=O)OCC)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116399820 441819400 /nfs/dbraw/zinc/81/94/00/441819400.db2.gz OXRRJDFVIZUEOL-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCC[C@@H](C(=O)OCC)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000116399820 441819404 /nfs/dbraw/zinc/81/94/04/441819404.db2.gz OXRRJDFVIZUEOL-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000173643107 441812659 /nfs/dbraw/zinc/81/26/59/441812659.db2.gz IDEHNVUFKLRHCP-LBPRGKRZSA-N 2 2 340.493 1.787 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000122854585 441865635 /nfs/dbraw/zinc/86/56/35/441865635.db2.gz UUDIDQPWDDDHOX-INIZCTEOSA-N 2 2 335.496 1.339 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000122854585 441865640 /nfs/dbraw/zinc/86/56/40/441865640.db2.gz UUDIDQPWDDDHOX-INIZCTEOSA-N 2 2 335.496 1.339 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000122854585 441865641 /nfs/dbraw/zinc/86/56/41/441865641.db2.gz UUDIDQPWDDDHOX-INIZCTEOSA-N 2 2 335.496 1.339 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000122854585 441865644 /nfs/dbraw/zinc/86/56/44/441865644.db2.gz UUDIDQPWDDDHOX-INIZCTEOSA-N 2 2 335.496 1.339 20 0 EDADLP Cc1ccccc1COC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093256977 441870165 /nfs/dbraw/zinc/87/01/65/441870165.db2.gz HSWPIGGYGULRRU-UHFFFAOYSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000122089467 441834598 /nfs/dbraw/zinc/83/45/98/441834598.db2.gz NTKIZOPTLBOPGQ-HNNXBMFYSA-N 2 2 343.475 1.487 20 0 EDADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](CC3CCCCC3)CC2)[nH+]1 ZINC000092892383 441838211 /nfs/dbraw/zinc/83/82/11/441838211.db2.gz VMUNPOMFVGOHNN-UHFFFAOYSA-N 2 2 341.463 1.947 20 0 EDADLP Cc1cc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000043534158 441846914 /nfs/dbraw/zinc/84/69/14/441846914.db2.gz IYKLLHGXKYPIKJ-QGZVFWFLSA-N 2 2 325.416 1.442 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000043628660 441851337 /nfs/dbraw/zinc/85/13/37/441851337.db2.gz LBQYXNOCMLZBHU-UHFFFAOYSA-N 2 2 325.403 1.997 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000043628660 441851344 /nfs/dbraw/zinc/85/13/44/441851344.db2.gz LBQYXNOCMLZBHU-UHFFFAOYSA-N 2 2 325.403 1.997 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000118843081 441906312 /nfs/dbraw/zinc/90/63/12/441906312.db2.gz GVUUUCAZBLSJLU-HNNXBMFYSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000118843081 441906316 /nfs/dbraw/zinc/90/63/16/441906316.db2.gz GVUUUCAZBLSJLU-HNNXBMFYSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000118843081 441906321 /nfs/dbraw/zinc/90/63/21/441906321.db2.gz GVUUUCAZBLSJLU-HNNXBMFYSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000118843081 441906328 /nfs/dbraw/zinc/90/63/28/441906328.db2.gz GVUUUCAZBLSJLU-HNNXBMFYSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124357117 441920952 /nfs/dbraw/zinc/92/09/52/441920952.db2.gz GJHPBGAQDBHMRF-UHFFFAOYSA-N 2 2 343.431 1.546 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124357117 441920956 /nfs/dbraw/zinc/92/09/56/441920956.db2.gz GJHPBGAQDBHMRF-UHFFFAOYSA-N 2 2 343.431 1.546 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000144551054 441883413 /nfs/dbraw/zinc/88/34/13/441883413.db2.gz QAXXHVOOUGXVHP-ROUUACIJSA-N 2 2 333.476 1.762 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123312176 441883729 /nfs/dbraw/zinc/88/37/29/441883729.db2.gz WVSXHUJQBYIJSB-RHSMWYFYSA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123312176 441883735 /nfs/dbraw/zinc/88/37/35/441883735.db2.gz WVSXHUJQBYIJSB-RHSMWYFYSA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123312176 441883739 /nfs/dbraw/zinc/88/37/39/441883739.db2.gz WVSXHUJQBYIJSB-RHSMWYFYSA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123312176 441883742 /nfs/dbraw/zinc/88/37/42/441883742.db2.gz WVSXHUJQBYIJSB-RHSMWYFYSA-N 2 2 346.475 1.789 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3cccc4c3OCO4)CC2)cc[nH+]1 ZINC000093562725 441890598 /nfs/dbraw/zinc/89/05/98/441890598.db2.gz VXWCNWPMZUDOQB-UHFFFAOYSA-N 2 2 341.415 1.594 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cc(OC)c1 ZINC000150757970 441944739 /nfs/dbraw/zinc/94/47/39/441944739.db2.gz OEQCXFKTMDRGDZ-QAPCUYQASA-N 2 2 347.459 1.489 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cc(OC)c1 ZINC000150757970 441944746 /nfs/dbraw/zinc/94/47/46/441944746.db2.gz OEQCXFKTMDRGDZ-QAPCUYQASA-N 2 2 347.459 1.489 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000150757970 441944751 /nfs/dbraw/zinc/94/47/51/441944751.db2.gz OEQCXFKTMDRGDZ-QAPCUYQASA-N 2 2 347.459 1.489 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc(OC)c1 ZINC000150757970 441944760 /nfs/dbraw/zinc/94/47/60/441944760.db2.gz OEQCXFKTMDRGDZ-QAPCUYQASA-N 2 2 347.459 1.489 20 0 EDADLP O=c1[nH]c(CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)nc2ccccc21 ZINC000150801223 441953360 /nfs/dbraw/zinc/95/33/60/441953360.db2.gz WNFIQHYYSUFTPT-OAHLLOKOSA-N 2 2 326.444 1.883 20 0 EDADLP O=c1[nH]c(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)nc2ccccc21 ZINC000150801223 441953364 /nfs/dbraw/zinc/95/33/64/441953364.db2.gz WNFIQHYYSUFTPT-OAHLLOKOSA-N 2 2 326.444 1.883 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1C ZINC000174692049 441954563 /nfs/dbraw/zinc/95/45/63/441954563.db2.gz QPLYOSSFCMQXHX-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1C ZINC000174692049 441954570 /nfs/dbraw/zinc/95/45/70/441954570.db2.gz QPLYOSSFCMQXHX-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000174692049 441954573 /nfs/dbraw/zinc/95/45/73/441954573.db2.gz QPLYOSSFCMQXHX-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000174692049 441954577 /nfs/dbraw/zinc/95/45/77/441954577.db2.gz QPLYOSSFCMQXHX-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)(CNC(=O)N1CCC([NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000079201094 442029347 /nfs/dbraw/zinc/02/93/47/442029347.db2.gz KDOFXISTMBYYIJ-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP CC[C@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000161929920 442045510 /nfs/dbraw/zinc/04/55/10/442045510.db2.gz DGZZLNNRBVSJLR-HIFRSBDPSA-N 2 2 330.436 1.252 20 0 EDADLP CC[C@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@H+]1C[C@@H](C)O ZINC000161929920 442045516 /nfs/dbraw/zinc/04/55/16/442045516.db2.gz DGZZLNNRBVSJLR-HIFRSBDPSA-N 2 2 330.436 1.252 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151874448 442133693 /nfs/dbraw/zinc/13/36/93/442133693.db2.gz PSQQVKHFWNDPIM-XLIONFOSSA-N 3 2 346.519 1.586 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151874448 442133696 /nfs/dbraw/zinc/13/36/96/442133696.db2.gz PSQQVKHFWNDPIM-XLIONFOSSA-N 3 2 346.519 1.586 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162570195 442104705 /nfs/dbraw/zinc/10/47/05/442104705.db2.gz RRDJMOBFLYQLAA-QUCCMNQESA-N 3 2 345.535 1.519 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162570195 442104707 /nfs/dbraw/zinc/10/47/07/442104707.db2.gz RRDJMOBFLYQLAA-QUCCMNQESA-N 3 2 345.535 1.519 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C[NH+]1CCCC1 ZINC000080010255 442107470 /nfs/dbraw/zinc/10/74/70/442107470.db2.gz NZYMBCMDNVXHOO-OAHLLOKOSA-N 2 2 333.480 1.793 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000164949458 442204850 /nfs/dbraw/zinc/20/48/50/442204850.db2.gz YGSTZANZWJGDPB-LLVKDONJSA-N 2 2 332.231 1.982 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000164949458 442204853 /nfs/dbraw/zinc/20/48/53/442204853.db2.gz YGSTZANZWJGDPB-LLVKDONJSA-N 2 2 332.231 1.982 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000164171896 442191365 /nfs/dbraw/zinc/19/13/65/442191365.db2.gz QIQLOJGGOOSMGY-INIZCTEOSA-N 2 2 347.463 1.072 20 0 EDADLP CCC[C@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000168165096 442223900 /nfs/dbraw/zinc/22/39/00/442223900.db2.gz HVLJBCMPAFMFMO-KBPBESRZSA-N 2 2 325.478 1.707 20 0 EDADLP CC(C)n1cc([C@@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)cn1 ZINC000168952016 442225623 /nfs/dbraw/zinc/22/56/23/442225623.db2.gz OJYIJACEYHAZBX-QGZVFWFLSA-N 2 2 337.512 1.505 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000176584150 442237723 /nfs/dbraw/zinc/23/77/23/442237723.db2.gz RRLZHHZCTAYHES-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000176584150 442237726 /nfs/dbraw/zinc/23/77/26/442237726.db2.gz RRLZHHZCTAYHES-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000176584150 442237728 /nfs/dbraw/zinc/23/77/28/442237728.db2.gz RRLZHHZCTAYHES-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000176584150 442237730 /nfs/dbraw/zinc/23/77/30/442237730.db2.gz RRLZHHZCTAYHES-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000176957017 442277341 /nfs/dbraw/zinc/27/73/41/442277341.db2.gz HZLQCKDTSFOXCT-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000176957017 442277345 /nfs/dbraw/zinc/27/73/45/442277345.db2.gz HZLQCKDTSFOXCT-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000170901994 442286159 /nfs/dbraw/zinc/28/61/59/442286159.db2.gz RUXOXCBLAVUNML-YJBOKZPZSA-N 2 2 331.460 1.995 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000170901994 442286162 /nfs/dbraw/zinc/28/61/62/442286162.db2.gz RUXOXCBLAVUNML-YJBOKZPZSA-N 2 2 331.460 1.995 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000177079946 442295003 /nfs/dbraw/zinc/29/50/03/442295003.db2.gz XYGBDADIVPHSIY-CQSZACIVSA-N 2 2 327.469 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCC(=O)OC(C)(C)C)CC1 ZINC000177079946 442295004 /nfs/dbraw/zinc/29/50/04/442295004.db2.gz XYGBDADIVPHSIY-CQSZACIVSA-N 2 2 327.469 1.203 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000171015752 442299772 /nfs/dbraw/zinc/29/97/72/442299772.db2.gz AGDUJYFHVFCBBI-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCC1 ZINC000171015752 442299774 /nfs/dbraw/zinc/29/97/74/442299774.db2.gz AGDUJYFHVFCBBI-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 ZINC000177133390 442303012 /nfs/dbraw/zinc/30/30/12/442303012.db2.gz BPQCTJRQZXJSBC-GOSISDBHSA-N 2 2 344.459 1.322 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000177140247 442304062 /nfs/dbraw/zinc/30/40/62/442304062.db2.gz PUINNNZSHRDKJT-UHFFFAOYSA-N 2 2 325.844 1.073 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000153074772 442259838 /nfs/dbraw/zinc/25/98/38/442259838.db2.gz LRWOAXYTHZMVRE-OAHLLOKOSA-N 2 2 340.431 1.904 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000154378220 442336671 /nfs/dbraw/zinc/33/66/71/442336671.db2.gz BUBKKMPBRIEFEL-CYBMUJFWSA-N 2 2 334.420 1.362 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000154378220 442336674 /nfs/dbraw/zinc/33/66/74/442336674.db2.gz BUBKKMPBRIEFEL-CYBMUJFWSA-N 2 2 334.420 1.362 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn4c(cccc4C)n3)C2)CC1 ZINC000171526579 442354550 /nfs/dbraw/zinc/35/45/50/442354550.db2.gz IGRIUULKTVDTRC-GOSISDBHSA-N 2 2 327.476 1.855 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn4c(cccc4C)n3)C2)CC1 ZINC000171526579 442354551 /nfs/dbraw/zinc/35/45/51/442354551.db2.gz IGRIUULKTVDTRC-GOSISDBHSA-N 2 2 327.476 1.855 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000171908258 442390516 /nfs/dbraw/zinc/39/05/16/442390516.db2.gz YLCRSQLUHCYGOU-INIZCTEOSA-N 2 2 345.447 1.553 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000171908258 442390519 /nfs/dbraw/zinc/39/05/19/442390519.db2.gz YLCRSQLUHCYGOU-INIZCTEOSA-N 2 2 345.447 1.553 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000177872670 442392431 /nfs/dbraw/zinc/39/24/31/442392431.db2.gz SOMSMKIHCKPOTI-ARFHVFGLSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000177872670 442392433 /nfs/dbraw/zinc/39/24/33/442392433.db2.gz SOMSMKIHCKPOTI-ARFHVFGLSA-N 2 2 326.485 1.079 20 0 EDADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154757781 442355473 /nfs/dbraw/zinc/35/54/73/442355473.db2.gz PBIOXLQQLXLXDH-MRXNPFEDSA-N 2 2 339.480 1.110 20 0 EDADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154757781 442355477 /nfs/dbraw/zinc/35/54/77/442355477.db2.gz PBIOXLQQLXLXDH-MRXNPFEDSA-N 2 2 339.480 1.110 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000178522719 442441283 /nfs/dbraw/zinc/44/12/83/442441283.db2.gz NMGWBQNRDKDJHD-XLIONFOSSA-N 3 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000178522719 442441284 /nfs/dbraw/zinc/44/12/84/442441284.db2.gz NMGWBQNRDKDJHD-XLIONFOSSA-N 3 2 346.519 1.728 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000134733810 442517320 /nfs/dbraw/zinc/51/73/20/442517320.db2.gz KZOJEXDBIRJWIN-HOTGVXAUSA-N 2 2 343.537 1.607 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000134733810 442517322 /nfs/dbraw/zinc/51/73/22/442517322.db2.gz KZOJEXDBIRJWIN-HOTGVXAUSA-N 2 2 343.537 1.607 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000186351706 442518329 /nfs/dbraw/zinc/51/83/29/442518329.db2.gz WABFCOUIYVRVGX-QGZVFWFLSA-N 2 2 331.485 1.812 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2ccc(Cl)s2)CN1CC[NH+]1CCOCC1 ZINC000178907576 442522297 /nfs/dbraw/zinc/52/22/97/442522297.db2.gz XUBDYKAGKDFZKW-LBPRGKRZSA-N 2 2 343.880 1.424 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1(C)C ZINC000186712315 442598050 /nfs/dbraw/zinc/59/80/50/442598050.db2.gz APWVDGHDFNKUJB-DYVFJYSZSA-N 2 2 329.404 1.738 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000179407582 442642870 /nfs/dbraw/zinc/64/28/70/442642870.db2.gz RYTUMVZWXPQYEA-HNNXBMFYSA-N 2 2 330.432 1.260 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000135985283 442644610 /nfs/dbraw/zinc/64/46/10/442644610.db2.gz UKJCCFODSBYVEY-IAGOWNOFSA-N 2 2 326.444 1.735 20 0 EDADLP CSC[C@@H]1CCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179281914 442611937 /nfs/dbraw/zinc/61/19/37/442611937.db2.gz WAPSLCXJJCXOOO-HNNXBMFYSA-N 2 2 328.526 1.549 20 0 EDADLP CN(CCC1CCOCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179313239 442619723 /nfs/dbraw/zinc/61/97/23/442619723.db2.gz MPMDQQNUSGJHQT-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181109210 442680680 /nfs/dbraw/zinc/68/06/80/442680680.db2.gz PTJJWYKNUBFTMR-AWEZNQCLSA-N 2 2 343.431 1.592 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181109210 442680681 /nfs/dbraw/zinc/68/06/81/442680681.db2.gz PTJJWYKNUBFTMR-AWEZNQCLSA-N 2 2 343.431 1.592 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181333030 442690525 /nfs/dbraw/zinc/69/05/25/442690525.db2.gz WANNATSIOVPVLE-KRWDZBQOSA-N 2 2 338.415 1.251 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000187217466 442660863 /nfs/dbraw/zinc/66/08/63/442660863.db2.gz PVONONWJSDUDML-NVXWUHKLSA-N 2 2 334.370 1.802 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000187217466 442660865 /nfs/dbraw/zinc/66/08/65/442660865.db2.gz PVONONWJSDUDML-NVXWUHKLSA-N 2 2 334.370 1.802 20 0 EDADLP O=C(C1CC[NH+](C2CC2)CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000192579748 442665455 /nfs/dbraw/zinc/66/54/55/442665455.db2.gz QSJZWIMRFIWZAI-SFHVURJKSA-N 2 2 335.492 1.574 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000181945455 442722856 /nfs/dbraw/zinc/72/28/56/442722856.db2.gz QYRDXYSKAIHRIO-UHFFFAOYSA-N 2 2 327.469 1.251 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000181945455 442722858 /nfs/dbraw/zinc/72/28/58/442722858.db2.gz QYRDXYSKAIHRIO-UHFFFAOYSA-N 2 2 327.469 1.251 20 0 EDADLP CCn1cc[nH+]c1CN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188294815 442734665 /nfs/dbraw/zinc/73/46/65/442734665.db2.gz VZTHKSCAVMJHHN-IBGZPJMESA-N 2 2 328.460 1.972 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193647855 442763671 /nfs/dbraw/zinc/76/36/71/442763671.db2.gz CTUYKYISGCUHPI-MELADBBJSA-N 2 2 331.416 1.278 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193647855 442763673 /nfs/dbraw/zinc/76/36/73/442763673.db2.gz CTUYKYISGCUHPI-MELADBBJSA-N 2 2 331.416 1.278 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193647855 442763674 /nfs/dbraw/zinc/76/36/74/442763674.db2.gz CTUYKYISGCUHPI-MELADBBJSA-N 2 2 331.416 1.278 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193647855 442763676 /nfs/dbraw/zinc/76/36/76/442763676.db2.gz CTUYKYISGCUHPI-MELADBBJSA-N 2 2 331.416 1.278 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000188763694 442807594 /nfs/dbraw/zinc/80/75/94/442807594.db2.gz DGQYQSLYEOFBDH-LBPRGKRZSA-N 2 2 328.420 1.292 20 0 EDADLP C[NH+]1CCC(CNC(=O)COC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000183073309 442874037 /nfs/dbraw/zinc/87/40/37/442874037.db2.gz IFCFJBUYLAQYAD-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC[N@@H+]1C ZINC000189157465 442888039 /nfs/dbraw/zinc/88/80/39/442888039.db2.gz FFLJFHTXFJFLGE-HIFRSBDPSA-N 2 2 326.462 1.025 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC[N@H+]1C ZINC000189157465 442888043 /nfs/dbraw/zinc/88/80/43/442888043.db2.gz FFLJFHTXFJFLGE-HIFRSBDPSA-N 2 2 326.462 1.025 20 0 EDADLP CN1CC[NH+](CCC(C)(C)NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000184199675 443000873 /nfs/dbraw/zinc/00/08/73/443000873.db2.gz WGDYFBOWQHQPOZ-UHFFFAOYSA-N 2 2 346.519 1.651 20 0 EDADLP CN1CC[NH+](CCC(C)(C)NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000184199675 443000878 /nfs/dbraw/zinc/00/08/78/443000878.db2.gz WGDYFBOWQHQPOZ-UHFFFAOYSA-N 2 2 346.519 1.651 20 0 EDADLP C[N@H+](CC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000184199675 443000882 /nfs/dbraw/zinc/00/08/82/443000882.db2.gz WGDYFBOWQHQPOZ-UHFFFAOYSA-N 2 2 346.519 1.651 20 0 EDADLP C[N@@H+](CC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000184199675 443000888 /nfs/dbraw/zinc/00/08/88/443000888.db2.gz WGDYFBOWQHQPOZ-UHFFFAOYSA-N 2 2 346.519 1.651 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc(F)ncc1F ZINC000296661723 318716394 /nfs/dbraw/zinc/71/63/94/318716394.db2.gz FGIFIGWRNKTYLW-STQMWFEESA-N 2 2 339.365 1.796 20 0 EDADLP CCn1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000190314446 443084950 /nfs/dbraw/zinc/08/49/50/443084950.db2.gz XVTMSPKVQHKYFQ-LJQANCHMSA-N 2 2 328.460 1.972 20 0 EDADLP CCn1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000190314446 443084955 /nfs/dbraw/zinc/08/49/55/443084955.db2.gz XVTMSPKVQHKYFQ-LJQANCHMSA-N 2 2 328.460 1.972 20 0 EDADLP CCn1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000190314446 443084958 /nfs/dbraw/zinc/08/49/58/443084958.db2.gz XVTMSPKVQHKYFQ-LJQANCHMSA-N 2 2 328.460 1.972 20 0 EDADLP CCn1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000190314446 443084962 /nfs/dbraw/zinc/08/49/62/443084962.db2.gz XVTMSPKVQHKYFQ-LJQANCHMSA-N 2 2 328.460 1.972 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000268875133 443134711 /nfs/dbraw/zinc/13/47/11/443134711.db2.gz GWYVACXABGNHPW-RHSMWYFYSA-N 2 2 332.448 1.540 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000268875133 443134713 /nfs/dbraw/zinc/13/47/13/443134713.db2.gz GWYVACXABGNHPW-RHSMWYFYSA-N 2 2 332.448 1.540 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000236624983 443140564 /nfs/dbraw/zinc/14/05/64/443140564.db2.gz VVKHHFKITZFFBF-UHFFFAOYSA-N 2 2 330.432 1.041 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299184708 318885408 /nfs/dbraw/zinc/88/54/08/318885408.db2.gz AEMYEQMBKULSGF-UHFFFAOYSA-N 2 2 345.447 1.853 20 0 EDADLP Cc1nc(C(F)(F)F)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000262134005 443183758 /nfs/dbraw/zinc/18/37/58/443183758.db2.gz OKMBPDBHOFDNTI-UHFFFAOYSA-N 2 2 336.383 1.334 20 0 EDADLP Cc1nc(C(F)(F)F)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000262134005 443183760 /nfs/dbraw/zinc/18/37/60/443183760.db2.gz OKMBPDBHOFDNTI-UHFFFAOYSA-N 2 2 336.383 1.334 20 0 EDADLP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000299206332 318888598 /nfs/dbraw/zinc/88/85/98/318888598.db2.gz CLJSYLXCEVDJIT-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP COc1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)ccc1OCC(N)=O ZINC000185169359 443153243 /nfs/dbraw/zinc/15/32/43/443153243.db2.gz NLCGDFRBZMDKKJ-UHFFFAOYSA-N 2 2 344.415 1.310 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245500869 443232302 /nfs/dbraw/zinc/23/23/02/443232302.db2.gz AEYMRAWCYNYDOZ-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245500869 443232306 /nfs/dbraw/zinc/23/23/06/443232306.db2.gz AEYMRAWCYNYDOZ-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266701608 443213438 /nfs/dbraw/zinc/21/34/38/443213438.db2.gz CUCWIAMGLPPLIL-AWEZNQCLSA-N 2 2 336.436 1.293 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)CC[N@H+](C)C1 ZINC000413904349 319300335 /nfs/dbraw/zinc/30/03/35/319300335.db2.gz PGRFNYGICZIHGT-RDJZCZTQSA-N 2 2 347.459 1.070 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)CC[N@@H+](C)C1 ZINC000413904349 319300337 /nfs/dbraw/zinc/30/03/37/319300337.db2.gz PGRFNYGICZIHGT-RDJZCZTQSA-N 2 2 347.459 1.070 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH+](C)C1 ZINC000413904349 319300340 /nfs/dbraw/zinc/30/03/40/319300340.db2.gz PGRFNYGICZIHGT-RDJZCZTQSA-N 2 2 347.459 1.070 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH+](C)C1 ZINC000413904349 319300342 /nfs/dbraw/zinc/30/03/42/319300342.db2.gz PGRFNYGICZIHGT-RDJZCZTQSA-N 2 2 347.459 1.070 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414076992 319315760 /nfs/dbraw/zinc/31/57/60/319315760.db2.gz YOWNHYDYFQMJMV-RYUDHWBXSA-N 2 2 339.237 1.874 20 0 EDADLP COCCNC(=O)C1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000414214232 319320967 /nfs/dbraw/zinc/32/09/67/319320967.db2.gz SEROTRGIRATJPY-UHFFFAOYSA-N 2 2 345.487 1.578 20 0 EDADLP CN(C)c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)n1C ZINC000414318133 319324218 /nfs/dbraw/zinc/32/42/18/319324218.db2.gz WYPWHOPOKVWELM-UHFFFAOYSA-N 2 2 343.475 1.608 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)n1C ZINC000414318133 319324219 /nfs/dbraw/zinc/32/42/19/319324219.db2.gz WYPWHOPOKVWELM-UHFFFAOYSA-N 3 2 343.475 1.608 20 0 EDADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)C1 ZINC000269269811 443259311 /nfs/dbraw/zinc/25/93/11/443259311.db2.gz RLEHYDBMNMKPRI-RHSMWYFYSA-N 2 2 333.432 1.334 20 0 EDADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)C1 ZINC000269269811 443259314 /nfs/dbraw/zinc/25/93/14/443259314.db2.gz RLEHYDBMNMKPRI-RHSMWYFYSA-N 2 2 333.432 1.334 20 0 EDADLP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000415793448 319370735 /nfs/dbraw/zinc/37/07/35/319370735.db2.gz UVICFTJTPPUCQT-CHWSQXEVSA-N 2 2 342.399 1.973 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000416862886 319468053 /nfs/dbraw/zinc/46/80/53/319468053.db2.gz YOTWBMSKPRWDFB-CQSZACIVSA-N 2 2 331.420 1.022 20 0 EDADLP C[C@@H](CCc1cccn1C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267242679 443390687 /nfs/dbraw/zinc/39/06/87/443390687.db2.gz ANCYAOYMZSUXHM-INIZCTEOSA-N 2 2 349.523 1.671 20 0 EDADLP CC(=O)NCC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)C(=O)OC(C)(C)C ZINC000272694884 443411988 /nfs/dbraw/zinc/41/19/88/443411988.db2.gz DECLYJCWZRMQMC-CQSZACIVSA-N 2 2 338.452 1.442 20 0 EDADLP CC(=O)NCC[N@H+](CCCn1cc[nH+]c1)[C@H](C)C(=O)OC(C)(C)C ZINC000272694884 443411992 /nfs/dbraw/zinc/41/19/92/443411992.db2.gz DECLYJCWZRMQMC-CQSZACIVSA-N 2 2 338.452 1.442 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000267256490 443395685 /nfs/dbraw/zinc/39/56/85/443395685.db2.gz ZDTHZCOJUQHNCI-UHFFFAOYSA-N 2 2 343.431 1.341 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cn3ccccc3n2)CC1 ZINC000267271701 443400491 /nfs/dbraw/zinc/40/04/91/443400491.db2.gz FFALELSUDPCISM-UHFFFAOYSA-N 2 2 344.463 1.160 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000278690605 443404383 /nfs/dbraw/zinc/40/43/83/443404383.db2.gz HNVZGDBBBSSFII-HNNXBMFYSA-N 2 2 328.420 1.487 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(N2CCOCC2)nc[nH+]1 ZINC000278690605 443404385 /nfs/dbraw/zinc/40/43/85/443404385.db2.gz HNVZGDBBBSSFII-HNNXBMFYSA-N 2 2 328.420 1.487 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422735202 319735051 /nfs/dbraw/zinc/73/50/51/319735051.db2.gz DPGVQJRVYUZZBT-APWZRJJASA-N 3 2 347.503 1.500 20 0 EDADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422739343 319736146 /nfs/dbraw/zinc/73/61/46/319736146.db2.gz LDKLACANYGTJRM-IRXDYDNUSA-N 2 2 331.441 1.829 20 0 EDADLP COc1ccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422978669 319744552 /nfs/dbraw/zinc/74/45/52/319744552.db2.gz KBKSGGZBNNYCCK-ROUUACIJSA-N 3 2 333.476 1.535 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c[nH+]1 ZINC000267616979 443516063 /nfs/dbraw/zinc/51/60/63/443516063.db2.gz KNSFRVPGUNVZML-OAHLLOKOSA-N 2 2 328.420 1.718 20 0 EDADLP COC1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC[NH2+]CC1 ZINC000423714401 319805641 /nfs/dbraw/zinc/80/56/41/319805641.db2.gz SGMKKMBTHWLZPB-UHFFFAOYSA-N 2 2 335.423 1.239 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)NCCCNc1cccc[nH+]1)C(C)C ZINC000283136403 443535560 /nfs/dbraw/zinc/53/55/60/443535560.db2.gz BMUNZKWSVNGPGK-UHFFFAOYSA-N 2 2 349.479 1.235 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)C1 ZINC000272299252 443584987 /nfs/dbraw/zinc/58/49/87/443584987.db2.gz QINYTIOFIHIZBG-CGTJXYLNSA-N 2 2 330.476 1.171 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000265136672 443546350 /nfs/dbraw/zinc/54/63/50/443546350.db2.gz UCGUVHKFCOROCA-INIZCTEOSA-N 2 2 329.448 1.795 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000265136672 443546356 /nfs/dbraw/zinc/54/63/56/443546356.db2.gz UCGUVHKFCOROCA-INIZCTEOSA-N 2 2 329.448 1.795 20 0 EDADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)CC1 ZINC000430969630 319936165 /nfs/dbraw/zinc/93/61/65/319936165.db2.gz GDJQCRGCVFJUKV-HNNXBMFYSA-N 2 2 346.475 1.113 20 0 EDADLP CC[NH+](CC)CC1CC[NH+](Cc2nnnn2C2CCOCC2)CC1 ZINC000432944636 319969312 /nfs/dbraw/zinc/96/93/12/319969312.db2.gz TUOTUDLICCPSHA-UHFFFAOYSA-N 2 2 336.484 1.578 20 0 EDADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453301143 320262731 /nfs/dbraw/zinc/26/27/31/320262731.db2.gz WOFPZTYJRGPGAR-PSBWJHGTSA-N 2 2 333.476 1.933 20 0 EDADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453301143 320262732 /nfs/dbraw/zinc/26/27/32/320262732.db2.gz WOFPZTYJRGPGAR-PSBWJHGTSA-N 2 2 333.476 1.933 20 0 EDADLP CC[C@@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000457080204 320318943 /nfs/dbraw/zinc/31/89/43/320318943.db2.gz MNUMFGIDLFIIGM-CVEARBPZSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000457080204 320318944 /nfs/dbraw/zinc/31/89/44/320318944.db2.gz MNUMFGIDLFIIGM-CVEARBPZSA-N 2 2 325.497 1.866 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000457492367 320328008 /nfs/dbraw/zinc/32/80/08/320328008.db2.gz WDOQCBORJHBCAE-INIZCTEOSA-N 2 2 329.448 1.875 20 0 EDADLP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000493681571 320397215 /nfs/dbraw/zinc/39/72/15/320397215.db2.gz ZMZRAASJDURCPO-WBTMPAOCSA-N 2 2 330.388 1.363 20 0 EDADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2nccn2c1 ZINC000625519085 450405193 /nfs/dbraw/zinc/40/51/93/450405193.db2.gz JACPDVFMMDPFAO-OAHLLOKOSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2nccn2c1 ZINC000625519085 450405195 /nfs/dbraw/zinc/40/51/95/450405195.db2.gz JACPDVFMMDPFAO-OAHLLOKOSA-N 2 2 341.459 1.541 20 0 EDADLP O[C@H](C[NH2+]Cc1c[nH]c2nccnc12)C[N@@H+]1CCc2ccccc2C1 ZINC000290902431 443706742 /nfs/dbraw/zinc/70/67/42/443706742.db2.gz OCXJAOHTRSMFFK-QGZVFWFLSA-N 2 2 337.427 1.467 20 0 EDADLP COC(=O)[C@@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000280706891 443741478 /nfs/dbraw/zinc/74/14/78/443741478.db2.gz IWQJMHDGFDTUHO-OWCLPIDISA-N 2 2 345.443 1.755 20 0 EDADLP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000280706891 443741479 /nfs/dbraw/zinc/74/14/79/443741479.db2.gz IWQJMHDGFDTUHO-OWCLPIDISA-N 2 2 345.443 1.755 20 0 EDADLP CN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292273505 443787712 /nfs/dbraw/zinc/78/77/12/443787712.db2.gz IZLKVKVWUQJOKS-MRXNPFEDSA-N 2 2 327.432 1.836 20 0 EDADLP CN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292273505 443787714 /nfs/dbraw/zinc/78/77/14/443787714.db2.gz IZLKVKVWUQJOKS-MRXNPFEDSA-N 2 2 327.432 1.836 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280873428 443764268 /nfs/dbraw/zinc/76/42/68/443764268.db2.gz OINRFMICJVLLIR-WSTZPKSXSA-N 2 2 343.471 1.393 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280873428 443764272 /nfs/dbraw/zinc/76/42/72/443764272.db2.gz OINRFMICJVLLIR-WSTZPKSXSA-N 2 2 343.471 1.393 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H](C)CO ZINC000292178392 443779749 /nfs/dbraw/zinc/77/97/49/443779749.db2.gz MFUAOMVOCKUESP-CQSZACIVSA-N 2 2 325.478 1.095 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H](C)CO ZINC000292178392 443779758 /nfs/dbraw/zinc/77/97/58/443779758.db2.gz MFUAOMVOCKUESP-CQSZACIVSA-N 2 2 325.478 1.095 20 0 EDADLP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000530658927 320634089 /nfs/dbraw/zinc/63/40/89/320634089.db2.gz ODMYDRLUMDJDMK-UHFFFAOYSA-N 2 2 340.431 1.799 20 0 EDADLP c1cn2c([nH+]1)CC[C@H](CNc1cc(N3CCSCC3)nc[nH+]1)C2 ZINC000288481943 443894466 /nfs/dbraw/zinc/89/44/66/443894466.db2.gz RVVPEWVHIFPXSS-CYBMUJFWSA-N 2 2 330.461 1.901 20 0 EDADLP c1cn2c([nH+]1)CC[C@H](CNc1cc(N3CCSCC3)[nH+]cn1)C2 ZINC000288481943 443894469 /nfs/dbraw/zinc/89/44/69/443894469.db2.gz RVVPEWVHIFPXSS-CYBMUJFWSA-N 2 2 330.461 1.901 20 0 EDADLP CC[N@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000299146151 443967663 /nfs/dbraw/zinc/96/76/63/443967663.db2.gz VVUWEKYOESCQRI-UHFFFAOYSA-N 2 2 349.475 1.308 20 0 EDADLP CC[N@@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000299146151 443967666 /nfs/dbraw/zinc/96/76/66/443967666.db2.gz VVUWEKYOESCQRI-UHFFFAOYSA-N 2 2 349.475 1.308 20 0 EDADLP COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000285396001 443969257 /nfs/dbraw/zinc/96/92/57/443969257.db2.gz DVGUUOURXXEZMG-ALOPSCKCSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000285396001 443969262 /nfs/dbraw/zinc/96/92/62/443969262.db2.gz DVGUUOURXXEZMG-ALOPSCKCSA-N 2 2 331.460 1.868 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000277392872 443975816 /nfs/dbraw/zinc/97/58/16/443975816.db2.gz RNHJQKQZQVPVNL-DLBZAZTESA-N 2 2 333.501 1.814 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000277392872 443975818 /nfs/dbraw/zinc/97/58/18/443975818.db2.gz RNHJQKQZQVPVNL-DLBZAZTESA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277392872 443975823 /nfs/dbraw/zinc/97/58/23/443975823.db2.gz RNHJQKQZQVPVNL-DLBZAZTESA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277392872 443975825 /nfs/dbraw/zinc/97/58/25/443975825.db2.gz RNHJQKQZQVPVNL-DLBZAZTESA-N 2 2 333.501 1.814 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293653691 444080876 /nfs/dbraw/zinc/08/08/76/444080876.db2.gz OYCLYSJGZFQTHO-UHFFFAOYSA-N 2 2 347.459 1.997 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000561113126 321033334 /nfs/dbraw/zinc/03/33/34/321033334.db2.gz IMVQMRXCHDNXEU-SFHVURJKSA-N 2 2 345.487 1.908 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000561113126 321033335 /nfs/dbraw/zinc/03/33/35/321033335.db2.gz IMVQMRXCHDNXEU-SFHVURJKSA-N 2 2 345.487 1.908 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000563074169 321093583 /nfs/dbraw/zinc/09/35/83/321093583.db2.gz GCPAAJIFYRBJKG-GOSISDBHSA-N 2 2 341.459 1.531 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000563074169 321093585 /nfs/dbraw/zinc/09/35/85/321093585.db2.gz GCPAAJIFYRBJKG-GOSISDBHSA-N 2 2 341.459 1.531 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000564943289 321159131 /nfs/dbraw/zinc/15/91/31/321159131.db2.gz ZHOQROJPVIMJFJ-RDJZCZTQSA-N 2 2 347.459 1.468 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000564943289 321159132 /nfs/dbraw/zinc/15/91/32/321159132.db2.gz ZHOQROJPVIMJFJ-RDJZCZTQSA-N 2 2 347.459 1.468 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cccc(N3CCOCC3)n2)n1C ZINC000565418105 321185897 /nfs/dbraw/zinc/18/58/97/321185897.db2.gz MZVUFFDUJVQDLZ-UHFFFAOYSA-N 2 2 330.436 1.008 20 0 EDADLP Cn1cc(-c2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000565474685 321187633 /nfs/dbraw/zinc/18/76/33/321187633.db2.gz NPHZADMNCYRVIQ-OALUTQOASA-N 2 2 326.444 1.944 20 0 EDADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC(F)F ZINC000565607830 321193847 /nfs/dbraw/zinc/19/38/47/321193847.db2.gz BGBZZOJFYMDRMY-VXGBXAGGSA-N 2 2 341.358 1.040 20 0 EDADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC(F)F ZINC000565607830 321193848 /nfs/dbraw/zinc/19/38/48/321193848.db2.gz BGBZZOJFYMDRMY-VXGBXAGGSA-N 2 2 341.358 1.040 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)C2CC2)cc1 ZINC000566413920 321228930 /nfs/dbraw/zinc/22/89/30/321228930.db2.gz WDPIWYKCMJCCKY-ZBFHGGJFSA-N 2 2 331.460 1.998 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)C2CC2)cc1 ZINC000566413920 321228932 /nfs/dbraw/zinc/22/89/32/321228932.db2.gz WDPIWYKCMJCCKY-ZBFHGGJFSA-N 2 2 331.460 1.998 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000566950430 321236982 /nfs/dbraw/zinc/23/69/82/321236982.db2.gz AQGYWYKNRLFKSU-IBGZPJMESA-N 2 2 342.487 1.999 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000566950430 321236984 /nfs/dbraw/zinc/23/69/84/321236984.db2.gz AQGYWYKNRLFKSU-IBGZPJMESA-N 2 2 342.487 1.999 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000566950430 321236986 /nfs/dbraw/zinc/23/69/86/321236986.db2.gz AQGYWYKNRLFKSU-IBGZPJMESA-N 2 2 342.487 1.999 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000566950430 321236988 /nfs/dbraw/zinc/23/69/88/321236988.db2.gz AQGYWYKNRLFKSU-IBGZPJMESA-N 2 2 342.487 1.999 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000567890008 321265797 /nfs/dbraw/zinc/26/57/97/321265797.db2.gz VHUCKWCQGNMAND-FOGDFJRCSA-N 2 2 329.242 1.657 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000569864050 321330761 /nfs/dbraw/zinc/33/07/61/321330761.db2.gz SKFSDQPSVMAIED-ZFWWWQNUSA-N 2 2 328.478 1.443 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000569864050 321330762 /nfs/dbraw/zinc/33/07/62/321330762.db2.gz SKFSDQPSVMAIED-ZFWWWQNUSA-N 2 2 328.478 1.443 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(NCC3CC3)nc2)CC1 ZINC000282218604 444117515 /nfs/dbraw/zinc/11/75/15/444117515.db2.gz OQEIZZDLCYPWHL-UHFFFAOYSA-N 2 2 345.491 1.659 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000570525100 321345258 /nfs/dbraw/zinc/34/52/58/321345258.db2.gz HQNJUTYXHVULRO-UHFFFAOYSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000572254365 321422584 /nfs/dbraw/zinc/42/25/84/321422584.db2.gz MMXMOGVAIMZZRA-QZTJIDSGSA-N 3 2 333.524 1.843 20 0 EDADLP C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000294677338 444134773 /nfs/dbraw/zinc/13/47/73/444134773.db2.gz SXKULTOCPYCSRT-KBPBESRZSA-N 2 2 329.404 1.106 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1)c1ccccc1 ZINC000289498634 444159872 /nfs/dbraw/zinc/15/98/72/444159872.db2.gz ZUFVSEVWTHKZTE-QAPCUYQASA-N 2 2 331.460 1.426 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1)c1ccccc1 ZINC000289498634 444159874 /nfs/dbraw/zinc/15/98/74/444159874.db2.gz ZUFVSEVWTHKZTE-QAPCUYQASA-N 2 2 331.460 1.426 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1)c1ccccc1 ZINC000289498634 444159876 /nfs/dbraw/zinc/15/98/76/444159876.db2.gz ZUFVSEVWTHKZTE-QAPCUYQASA-N 2 2 331.460 1.426 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1)c1ccccc1 ZINC000289498634 444159877 /nfs/dbraw/zinc/15/98/77/444159877.db2.gz ZUFVSEVWTHKZTE-QAPCUYQASA-N 2 2 331.460 1.426 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301462267 444173038 /nfs/dbraw/zinc/17/30/38/444173038.db2.gz FFGXQKKSIBMJED-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301462267 444173040 /nfs/dbraw/zinc/17/30/40/444173040.db2.gz FFGXQKKSIBMJED-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Cn1cc[nH+]c1 ZINC000286002524 444173765 /nfs/dbraw/zinc/17/37/65/444173765.db2.gz DMDWLAYZABEJFH-UHFFFAOYSA-N 2 2 341.459 1.159 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[NH+]([C@@H](C)CO)CC1 ZINC000301822906 444192636 /nfs/dbraw/zinc/19/26/36/444192636.db2.gz KWBFTWUDXLNQDP-AWEZNQCLSA-N 2 2 343.427 1.914 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000296104942 444204854 /nfs/dbraw/zinc/20/48/54/444204854.db2.gz XLIJHPCKQBHBQW-ZNMIVQPWSA-N 2 2 334.464 1.904 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000296104942 444204856 /nfs/dbraw/zinc/20/48/56/444204856.db2.gz XLIJHPCKQBHBQW-ZNMIVQPWSA-N 2 2 334.464 1.904 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCC(O)CC1 ZINC000296107803 444204996 /nfs/dbraw/zinc/20/49/96/444204996.db2.gz ZHDZIHUWLXEWGR-FXAWDEMLSA-N 2 2 331.504 1.943 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCC(O)CC1 ZINC000296107803 444204997 /nfs/dbraw/zinc/20/49/97/444204997.db2.gz ZHDZIHUWLXEWGR-FXAWDEMLSA-N 2 2 331.504 1.943 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCc3cn(C)cn3)c2cc1C ZINC000576578410 321578234 /nfs/dbraw/zinc/57/82/34/321578234.db2.gz RQRCSZLIXSXNCB-MRXNPFEDSA-N 2 2 327.432 1.580 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000290216743 444255298 /nfs/dbraw/zinc/25/52/98/444255298.db2.gz QMMBDTYMDXWBFN-DOTOQJQBSA-N 2 2 332.448 1.169 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCc4occc4C3)cn2)CC1 ZINC000290216956 444255354 /nfs/dbraw/zinc/25/53/54/444255354.db2.gz RCHXKAXQGUFSBU-UHFFFAOYSA-N 2 2 327.432 1.770 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCc4occc4C3)cn2)CC1 ZINC000290216956 444255357 /nfs/dbraw/zinc/25/53/57/444255357.db2.gz RCHXKAXQGUFSBU-UHFFFAOYSA-N 2 2 327.432 1.770 20 0 EDADLP Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cn2cc[nH+]c12 ZINC000296846506 444258844 /nfs/dbraw/zinc/25/88/44/444258844.db2.gz KEHLDMJWOAVLFW-ZBFHGGJFSA-N 2 2 343.431 1.970 20 0 EDADLP CC(C)C[NH+]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000302802290 444224613 /nfs/dbraw/zinc/22/46/13/444224613.db2.gz UTGPLMBAFMRIRH-MRXNPFEDSA-N 2 2 333.480 1.606 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000290025916 444232459 /nfs/dbraw/zinc/23/24/59/444232459.db2.gz TUQIBBZLNMIIGR-ZDUSSCGKSA-N 2 2 344.415 1.982 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000304011159 444239992 /nfs/dbraw/zinc/23/99/92/444239992.db2.gz VBTQZLKGTDUTMB-QFBILLFUSA-N 2 2 335.467 1.961 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000304011159 444239994 /nfs/dbraw/zinc/23/99/94/444239994.db2.gz VBTQZLKGTDUTMB-QFBILLFUSA-N 2 2 335.467 1.961 20 0 EDADLP O=C(C[N@@H+](CCO)C1CCCCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000304067654 444241205 /nfs/dbraw/zinc/24/12/05/444241205.db2.gz UKBMQLZMOGVFCA-UHFFFAOYSA-N 2 2 349.475 1.551 20 0 EDADLP O=C(C[N@H+](CCO)C1CCCCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000304067654 444241208 /nfs/dbraw/zinc/24/12/08/444241208.db2.gz UKBMQLZMOGVFCA-UHFFFAOYSA-N 2 2 349.475 1.551 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(F)cc1Cl ZINC000316497359 444310931 /nfs/dbraw/zinc/31/09/31/444310931.db2.gz YWJAQSVIIAPHIY-UHFFFAOYSA-N 2 2 328.819 1.255 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(F)cc1Cl ZINC000316497359 444310933 /nfs/dbraw/zinc/31/09/33/444310933.db2.gz YWJAQSVIIAPHIY-UHFFFAOYSA-N 2 2 328.819 1.255 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1F ZINC000577711960 321675184 /nfs/dbraw/zinc/67/51/84/321675184.db2.gz OMYLTVYBVKBCGA-XJKSGUPXSA-N 2 2 345.422 1.947 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[N@@H+]1CCC[C@H](C)C1 ZINC000297925492 444359186 /nfs/dbraw/zinc/35/91/86/444359186.db2.gz QUHWTACXMNRWNG-KBPBESRZSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[N@H+]1CCC[C@H](C)C1 ZINC000297925492 444359191 /nfs/dbraw/zinc/35/91/91/444359191.db2.gz QUHWTACXMNRWNG-KBPBESRZSA-N 2 2 343.431 1.509 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000337721617 444373393 /nfs/dbraw/zinc/37/33/93/444373393.db2.gz PRBZDVDDFDYAQO-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000337721617 444373397 /nfs/dbraw/zinc/37/33/97/444373397.db2.gz PRBZDVDDFDYAQO-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000337721617 444373400 /nfs/dbraw/zinc/37/34/00/444373400.db2.gz PRBZDVDDFDYAQO-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000337721617 444373401 /nfs/dbraw/zinc/37/34/01/444373401.db2.gz PRBZDVDDFDYAQO-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CCN1CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290823481 444326785 /nfs/dbraw/zinc/32/67/85/444326785.db2.gz XCHSMAXUNQCLNA-UHFFFAOYSA-N 2 2 330.436 1.482 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1 ZINC000321585694 444336820 /nfs/dbraw/zinc/33/68/20/444336820.db2.gz JTKDQLMGRMFBQF-GDBMZVCRSA-N 2 2 330.457 1.721 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000340505327 444414350 /nfs/dbraw/zinc/41/43/50/444414350.db2.gz GVHHJGBXSIFGEA-OALUTQOASA-N 2 2 343.475 1.937 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000340505327 444414355 /nfs/dbraw/zinc/41/43/55/444414355.db2.gz GVHHJGBXSIFGEA-OALUTQOASA-N 2 2 343.475 1.937 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000298096205 444414452 /nfs/dbraw/zinc/41/44/52/444414452.db2.gz PDTPFONOSTVZBU-UHFFFAOYSA-N 2 2 341.459 1.117 20 0 EDADLP COc1cc2c(cc1C[NH+]1CCN([C@H]3CC[NH2+]C3)CC1)O[C@H](C)C2 ZINC000326856001 444378892 /nfs/dbraw/zinc/37/88/92/444378892.db2.gz PRKBBMISLMCDBL-PBHICJAKSA-N 2 2 331.460 1.498 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N(C)C1CCOCC1 ZINC000337942270 444466032 /nfs/dbraw/zinc/46/60/32/444466032.db2.gz DIKDGXRJLCRIRP-UHFFFAOYSA-N 2 2 326.485 1.175 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N(C)C1CCOCC1 ZINC000337942270 444466034 /nfs/dbraw/zinc/46/60/34/444466034.db2.gz DIKDGXRJLCRIRP-UHFFFAOYSA-N 2 2 326.485 1.175 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340717104 444487430 /nfs/dbraw/zinc/48/74/30/444487430.db2.gz YLRRPBOSKVXPOS-UHFFFAOYSA-N 2 2 341.459 1.591 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](CO)CN3CCCC3)c2cc1C ZINC000580311272 322034970 /nfs/dbraw/zinc/03/49/70/322034970.db2.gz DCSQRZXLPYQJKE-SJORKVTESA-N 2 2 346.475 1.060 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000580431455 322050266 /nfs/dbraw/zinc/05/02/66/322050266.db2.gz NIOIRVVGPWHANV-JKSUJKDBSA-N 2 2 326.412 1.002 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000580431455 322050268 /nfs/dbraw/zinc/05/02/68/322050268.db2.gz NIOIRVVGPWHANV-JKSUJKDBSA-N 2 2 326.412 1.002 20 0 EDADLP C[NH+](C)[C@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H]1O ZINC000581083519 322134178 /nfs/dbraw/zinc/13/41/78/322134178.db2.gz YRMSOOZPBJKDAK-PMPSAXMXSA-N 2 2 328.416 1.065 20 0 EDADLP CCCOc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000581260600 322157141 /nfs/dbraw/zinc/15/71/41/322157141.db2.gz JJUJSBQKIQFAMG-LSDHHAIUSA-N 2 2 333.432 1.228 20 0 EDADLP CCCOc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000581260600 322157144 /nfs/dbraw/zinc/15/71/44/322157144.db2.gz JJUJSBQKIQFAMG-LSDHHAIUSA-N 2 2 333.432 1.228 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)[C@H](C[NH3+])C1 ZINC000581873823 322226224 /nfs/dbraw/zinc/22/62/24/322226224.db2.gz KJAVZWCNPAIRSE-RRFJBIMHSA-N 2 2 326.485 1.112 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)[C@H]2C1 ZINC000329231369 444507345 /nfs/dbraw/zinc/50/73/45/444507345.db2.gz FEKNRSCCPJNTLN-OAGGEKHMSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)[C@H]2C1 ZINC000329231369 444507347 /nfs/dbraw/zinc/50/73/47/444507347.db2.gz FEKNRSCCPJNTLN-OAGGEKHMSA-N 2 2 331.464 1.216 20 0 EDADLP [NH3+]C1(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CCOCC1 ZINC000338140349 444532460 /nfs/dbraw/zinc/53/24/60/444532460.db2.gz ZOJNMDZDPNBNGP-UHFFFAOYSA-N 2 2 342.443 1.640 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000332796143 444555944 /nfs/dbraw/zinc/55/59/44/444555944.db2.gz DUHPRXVGXHFGFI-HOTGVXAUSA-N 2 2 348.495 1.120 20 0 EDADLP Cc1nnc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1C1CC1 ZINC000338220472 444570041 /nfs/dbraw/zinc/57/00/41/444570041.db2.gz JIBKJZXMRMCXGA-UHFFFAOYSA-N 2 2 333.480 1.856 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)c1 ZINC000338221392 444570647 /nfs/dbraw/zinc/57/06/47/444570647.db2.gz KTAAHBXCCVPWKK-UHFFFAOYSA-N 2 2 332.448 1.149 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CC[NH2+]CC2(F)F)cc1F ZINC000343802202 444601046 /nfs/dbraw/zinc/60/10/46/444601046.db2.gz SVFADOVEAWPTHK-CYBMUJFWSA-N 2 2 329.366 1.748 20 0 EDADLP CC[C@H](C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000338279204 444607200 /nfs/dbraw/zinc/60/72/00/444607200.db2.gz JCEBSFZAJUXPRB-HNNXBMFYSA-N 2 2 341.496 1.593 20 0 EDADLP CC[C@H](C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000338279204 444607206 /nfs/dbraw/zinc/60/72/06/444607206.db2.gz JCEBSFZAJUXPRB-HNNXBMFYSA-N 2 2 341.496 1.593 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000332981008 444619271 /nfs/dbraw/zinc/61/92/71/444619271.db2.gz UYQGIOBKOUBJIM-GOEBONIOSA-N 2 2 331.464 1.845 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000332981008 444619275 /nfs/dbraw/zinc/61/92/75/444619275.db2.gz UYQGIOBKOUBJIM-GOEBONIOSA-N 2 2 331.464 1.845 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000343895897 444652564 /nfs/dbraw/zinc/65/25/64/444652564.db2.gz LFKACNLIHZGIPT-IEBWSBKVSA-N 2 2 344.503 1.655 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000343895897 444652570 /nfs/dbraw/zinc/65/25/70/444652570.db2.gz LFKACNLIHZGIPT-IEBWSBKVSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000338377172 444662168 /nfs/dbraw/zinc/66/21/68/444662168.db2.gz OTPJBLOLKYSQLA-MRXNPFEDSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000338377172 444662172 /nfs/dbraw/zinc/66/21/72/444662172.db2.gz OTPJBLOLKYSQLA-MRXNPFEDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@H]1C ZINC000329581410 444637111 /nfs/dbraw/zinc/63/71/11/444637111.db2.gz PYIPKFTWPSAGMZ-CHWSQXEVSA-N 2 2 335.477 1.764 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@H]1C ZINC000329581410 444637115 /nfs/dbraw/zinc/63/71/15/444637115.db2.gz PYIPKFTWPSAGMZ-CHWSQXEVSA-N 2 2 335.477 1.764 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@H]1C ZINC000329581410 444637120 /nfs/dbraw/zinc/63/71/20/444637120.db2.gz PYIPKFTWPSAGMZ-CHWSQXEVSA-N 2 2 335.477 1.764 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@H]1C ZINC000329581410 444637126 /nfs/dbraw/zinc/63/71/26/444637126.db2.gz PYIPKFTWPSAGMZ-CHWSQXEVSA-N 2 2 335.477 1.764 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@@H+]1C ZINC000341167551 444706087 /nfs/dbraw/zinc/70/60/87/444706087.db2.gz PMMFVMIUBYTLNZ-QWRGUYRKSA-N 2 2 333.358 1.727 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@H+]1C ZINC000341167551 444706089 /nfs/dbraw/zinc/70/60/89/444706089.db2.gz PMMFVMIUBYTLNZ-QWRGUYRKSA-N 2 2 333.358 1.727 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333897469 444712413 /nfs/dbraw/zinc/71/24/13/444712413.db2.gz IFCSVTLHDSHMET-HUUCEWRRSA-N 2 2 327.432 1.738 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333908379 444715235 /nfs/dbraw/zinc/71/52/35/444715235.db2.gz KNXLOTRWQYWRDG-SFHVURJKSA-N 2 2 329.448 1.577 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000338433037 444692130 /nfs/dbraw/zinc/69/21/30/444692130.db2.gz ZLTAIJDWNUNQBJ-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000338433037 444692135 /nfs/dbraw/zinc/69/21/35/444692135.db2.gz ZLTAIJDWNUNQBJ-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](C2CCC2)CC1 ZINC000334097714 444778350 /nfs/dbraw/zinc/77/83/50/444778350.db2.gz TXGYCANGPFBICW-CALCHBBNSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC[NH+](C2CCC2)CC1 ZINC000334097714 444778355 /nfs/dbraw/zinc/77/83/55/444778355.db2.gz TXGYCANGPFBICW-CALCHBBNSA-N 2 2 336.480 1.166 20 0 EDADLP O[C@@H](COCc1ccccc1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336717971 444795858 /nfs/dbraw/zinc/79/58/58/444795858.db2.gz YXIXKPBKJXPSQX-QGZVFWFLSA-N 2 2 330.432 1.105 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1Cc1ccccc1 ZINC000341379871 444802960 /nfs/dbraw/zinc/80/29/60/444802960.db2.gz PWUSELQGYWZYGB-SFHVURJKSA-N 2 2 341.459 1.842 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1Cc1ccccc1 ZINC000341379871 444802966 /nfs/dbraw/zinc/80/29/66/444802966.db2.gz PWUSELQGYWZYGB-SFHVURJKSA-N 2 2 341.459 1.842 20 0 EDADLP CN1CC[C@@H]([NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)C1=O ZINC000338637680 444785934 /nfs/dbraw/zinc/78/59/34/444785934.db2.gz VTOMIDUDPFJUOW-KGLIPLIRSA-N 2 2 334.489 1.660 20 0 EDADLP CN1CC[C@@H]([NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)C1=O ZINC000338637680 444785937 /nfs/dbraw/zinc/78/59/37/444785937.db2.gz VTOMIDUDPFJUOW-KGLIPLIRSA-N 2 2 334.489 1.660 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000338731629 444826988 /nfs/dbraw/zinc/82/69/88/444826988.db2.gz SGJPQTBYFVCFNY-GJZGRUSLSA-N 2 2 337.468 1.332 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000336893213 444837427 /nfs/dbraw/zinc/83/74/27/444837427.db2.gz KLSVBDXHCWCBQW-CYBMUJFWSA-N 2 2 331.258 1.346 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000336893213 444837433 /nfs/dbraw/zinc/83/74/33/444837433.db2.gz KLSVBDXHCWCBQW-CYBMUJFWSA-N 2 2 331.258 1.346 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]c1 ZINC000338756151 444839162 /nfs/dbraw/zinc/83/91/62/444839162.db2.gz HAEYXTSHOPDWJO-UHFFFAOYSA-N 2 2 342.447 2.504 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000330093721 444842520 /nfs/dbraw/zinc/84/25/20/444842520.db2.gz RWICEKXHIVZMFD-STQMWFEESA-N 2 2 330.436 1.387 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000330093721 444842523 /nfs/dbraw/zinc/84/25/23/444842523.db2.gz RWICEKXHIVZMFD-STQMWFEESA-N 2 2 330.436 1.387 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@H]3CC[NH2+]CC3(F)F)CC2)[nH+]1 ZINC000342762973 444853360 /nfs/dbraw/zinc/85/33/60/444853360.db2.gz ZQYBQYCQTKWSHP-CQSZACIVSA-N 2 2 338.402 1.720 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000342765129 444854997 /nfs/dbraw/zinc/85/49/97/444854997.db2.gz MABBLWGWWCMZGE-QWHCGFSZSA-N 2 2 335.452 1.405 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000342766750 444857449 /nfs/dbraw/zinc/85/74/49/444857449.db2.gz WZIOYTZOVYHIKC-FUHWJXTLSA-N 2 2 331.460 1.598 20 0 EDADLP COCCOC1C[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336880094 444827651 /nfs/dbraw/zinc/82/76/51/444827651.db2.gz OWRBCMVLXWCVJB-OAHLLOKOSA-N 2 2 333.432 1.361 20 0 EDADLP COc1ncc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c(C)n1 ZINC000337126801 444953421 /nfs/dbraw/zinc/95/34/21/444953421.db2.gz GFEZIJDXQZTHEX-HZPDHXFCSA-N 2 2 347.507 1.784 20 0 EDADLP Cn1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)c(-c2ccccc2)n1 ZINC000342951036 444961386 /nfs/dbraw/zinc/96/13/86/444961386.db2.gz JKMKVBBEYAOXLT-UHFFFAOYSA-N 2 2 328.460 1.976 20 0 EDADLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c(-c2ccccc2)n1 ZINC000342951036 444961392 /nfs/dbraw/zinc/96/13/92/444961392.db2.gz JKMKVBBEYAOXLT-UHFFFAOYSA-N 2 2 328.460 1.976 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)[N@H+](C)C1 ZINC000344508793 445021934 /nfs/dbraw/zinc/02/19/34/445021934.db2.gz JVOCHGJDLDZDAV-YLFCFFPRSA-N 2 2 346.475 1.331 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)[N@@H+](C)C1 ZINC000344508793 445021939 /nfs/dbraw/zinc/02/19/39/445021939.db2.gz JVOCHGJDLDZDAV-YLFCFFPRSA-N 2 2 346.475 1.331 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000339164568 445068169 /nfs/dbraw/zinc/06/81/69/445068169.db2.gz IMUMABYYJJYXEB-UHFFFAOYSA-N 2 2 336.480 1.702 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337459822 445089954 /nfs/dbraw/zinc/08/99/54/445089954.db2.gz OTGUOBITXWNWKH-QZTJIDSGSA-N 2 2 339.524 1.924 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337459822 445089958 /nfs/dbraw/zinc/08/99/58/445089958.db2.gz OTGUOBITXWNWKH-QZTJIDSGSA-N 2 2 339.524 1.924 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]12CCOC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000341956304 445093465 /nfs/dbraw/zinc/09/34/65/445093465.db2.gz TTZYRNPIJDVPLW-SFHVURJKSA-N 2 2 349.500 1.647 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]12CCOC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000341956304 445093470 /nfs/dbraw/zinc/09/34/70/445093470.db2.gz TTZYRNPIJDVPLW-SFHVURJKSA-N 2 2 349.500 1.647 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000339246435 445112569 /nfs/dbraw/zinc/11/25/69/445112569.db2.gz NLTYAJAGRGDHES-MRXNPFEDSA-N 2 2 329.404 1.157 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000339246435 445112573 /nfs/dbraw/zinc/11/25/73/445112573.db2.gz NLTYAJAGRGDHES-MRXNPFEDSA-N 2 2 329.404 1.157 20 0 EDADLP c1ccc(OCCOCC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625551119 450422619 /nfs/dbraw/zinc/42/26/19/450422619.db2.gz CQDZOWZWNQVKAC-UHFFFAOYSA-N 2 2 334.460 1.879 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC000345067521 445158870 /nfs/dbraw/zinc/15/88/70/445158870.db2.gz OMCSPBUHDYEOGF-CYBMUJFWSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@H+](C)C[C@H]3C)CC2)cs1 ZINC000345067521 445158875 /nfs/dbraw/zinc/15/88/75/445158875.db2.gz OMCSPBUHDYEOGF-CYBMUJFWSA-N 2 2 336.505 1.826 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)no1 ZINC000343350669 445207504 /nfs/dbraw/zinc/20/75/04/445207504.db2.gz PAXOCMQJCQKMPH-UHFFFAOYSA-N 2 2 326.360 1.628 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000346278048 445210580 /nfs/dbraw/zinc/21/05/80/445210580.db2.gz PJMIXIXWKXUJKR-CVEARBPZSA-N 3 2 339.528 1.137 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000346278048 445210581 /nfs/dbraw/zinc/21/05/81/445210581.db2.gz PJMIXIXWKXUJKR-CVEARBPZSA-N 3 2 339.528 1.137 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000343410017 445217415 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C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCOCC2(CC2)C1 ZINC000360096153 445563690 /nfs/dbraw/zinc/56/36/90/445563690.db2.gz DYMWQYOXSWSIDD-INIZCTEOSA-N 2 2 344.459 1.231 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCOCC2(CC2)C1 ZINC000360096153 445563692 /nfs/dbraw/zinc/56/36/92/445563692.db2.gz DYMWQYOXSWSIDD-INIZCTEOSA-N 2 2 344.459 1.231 20 0 EDADLP CCc1cccc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362836495 445573765 /nfs/dbraw/zinc/57/37/65/445573765.db2.gz HHALZMXBCFUFFH-KRWDZBQOSA-N 2 2 344.459 1.084 20 0 EDADLP CCc1cccc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362836495 445573768 /nfs/dbraw/zinc/57/37/68/445573768.db2.gz HHALZMXBCFUFFH-KRWDZBQOSA-N 2 2 344.459 1.084 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000360123154 445579897 /nfs/dbraw/zinc/57/98/97/445579897.db2.gz GJRLIHWVHCNCQF-IJEWVQPXSA-N 2 2 337.468 1.668 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000360123154 445579900 /nfs/dbraw/zinc/57/99/00/445579900.db2.gz GJRLIHWVHCNCQF-IJEWVQPXSA-N 2 2 337.468 1.668 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000360172043 445611611 /nfs/dbraw/zinc/61/16/11/445611611.db2.gz VKQRBTAESDJAEM-WBVHZDCISA-N 2 2 335.448 1.135 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000360172043 445611616 /nfs/dbraw/zinc/61/16/16/445611616.db2.gz VKQRBTAESDJAEM-WBVHZDCISA-N 2 2 335.448 1.135 20 0 EDADLP COC(=O)c1coc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000353459597 445611763 /nfs/dbraw/zinc/61/17/63/445611763.db2.gz MARQNPOCQWRGQX-UHFFFAOYSA-N 2 2 337.420 1.164 20 0 EDADLP COC(=O)c1coc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000353459597 445611765 /nfs/dbraw/zinc/61/17/65/445611765.db2.gz MARQNPOCQWRGQX-UHFFFAOYSA-N 2 2 337.420 1.164 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000356100060 445621665 /nfs/dbraw/zinc/62/16/65/445621665.db2.gz RIYYMIMWPHJABO-HNNXBMFYSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000356100060 445621667 /nfs/dbraw/zinc/62/16/67/445621667.db2.gz RIYYMIMWPHJABO-HNNXBMFYSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000349631975 445628179 /nfs/dbraw/zinc/62/81/79/445628179.db2.gz POMVUPMIQMCQER-DLBZAZTESA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000349631975 445628183 /nfs/dbraw/zinc/62/81/83/445628183.db2.gz POMVUPMIQMCQER-DLBZAZTESA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000356126105 445635415 /nfs/dbraw/zinc/63/54/15/445635415.db2.gz SMQAYWDGQAVXFA-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000356126105 445635421 /nfs/dbraw/zinc/63/54/21/445635421.db2.gz SMQAYWDGQAVXFA-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000356126105 445635423 /nfs/dbraw/zinc/63/54/23/445635423.db2.gz SMQAYWDGQAVXFA-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000356126105 445635427 /nfs/dbraw/zinc/63/54/27/445635427.db2.gz SMQAYWDGQAVXFA-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000360226216 445640524 /nfs/dbraw/zinc/64/05/24/445640524.db2.gz VZFSZVCPKQDHKM-INIZCTEOSA-N 2 2 341.459 1.546 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000360154232 445598507 /nfs/dbraw/zinc/59/85/07/445598507.db2.gz PIXGWKIDTCKYMO-FXAWDEMLSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000360154232 445598513 /nfs/dbraw/zinc/59/85/13/445598513.db2.gz PIXGWKIDTCKYMO-FXAWDEMLSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000360154232 445598518 /nfs/dbraw/zinc/59/85/18/445598518.db2.gz PIXGWKIDTCKYMO-FXAWDEMLSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000360154232 445598525 /nfs/dbraw/zinc/59/85/25/445598525.db2.gz PIXGWKIDTCKYMO-FXAWDEMLSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH+]1C ZINC000358675672 445709844 /nfs/dbraw/zinc/70/98/44/445709844.db2.gz JDEXGDULAPWPTD-NUJGCVRESA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH+]1C ZINC000358675672 445709850 /nfs/dbraw/zinc/70/98/50/445709850.db2.gz JDEXGDULAPWPTD-NUJGCVRESA-N 2 2 331.460 1.438 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000356324698 445735856 /nfs/dbraw/zinc/73/58/56/445735856.db2.gz ZXWGESOOMKXADD-WMZOPIPTSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000356324698 445735858 /nfs/dbraw/zinc/73/58/58/445735858.db2.gz ZXWGESOOMKXADD-WMZOPIPTSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000356324698 445735864 /nfs/dbraw/zinc/73/58/64/445735864.db2.gz ZXWGESOOMKXADD-WMZOPIPTSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000356324698 445735866 /nfs/dbraw/zinc/73/58/66/445735866.db2.gz ZXWGESOOMKXADD-WMZOPIPTSA-N 2 2 337.508 1.724 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCc3ccccc3Cl)CCO2)CC1 ZINC000363494004 445829998 /nfs/dbraw/zinc/82/99/98/445829998.db2.gz XLEUNELJBGWONO-QGZVFWFLSA-N 2 2 337.895 1.831 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCc3ccccc3Cl)CCO2)CC1 ZINC000363494004 445830001 /nfs/dbraw/zinc/83/00/01/445830001.db2.gz XLEUNELJBGWONO-QGZVFWFLSA-N 2 2 337.895 1.831 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000363443007 445805370 /nfs/dbraw/zinc/80/53/70/445805370.db2.gz USDFQQBWDNUTSE-GASCZTMLSA-N 2 2 333.480 1.183 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000363443007 445805373 /nfs/dbraw/zinc/80/53/73/445805373.db2.gz USDFQQBWDNUTSE-GASCZTMLSA-N 2 2 333.480 1.183 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000354086860 445894481 /nfs/dbraw/zinc/89/44/81/445894481.db2.gz UTQDUKOITFHRFQ-HNNXBMFYSA-N 2 2 347.450 1.533 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000364120418 445896107 /nfs/dbraw/zinc/89/61/07/445896107.db2.gz IXPWIYAJAZXPBL-HNNXBMFYSA-N 2 2 339.443 1.402 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000364120418 445896111 /nfs/dbraw/zinc/89/61/11/445896111.db2.gz IXPWIYAJAZXPBL-HNNXBMFYSA-N 2 2 339.443 1.402 20 0 EDADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000369079468 445916267 /nfs/dbraw/zinc/91/62/67/445916267.db2.gz VIITXDNMBNIJCF-GOSISDBHSA-N 2 2 346.475 1.856 20 0 EDADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000369079468 445916275 /nfs/dbraw/zinc/91/62/75/445916275.db2.gz VIITXDNMBNIJCF-GOSISDBHSA-N 2 2 346.475 1.856 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)c1ccccc1 ZINC000372978520 445956586 /nfs/dbraw/zinc/95/65/86/445956586.db2.gz MBTZWFUVCFSKTF-QGZVFWFLSA-N 2 2 331.460 1.660 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3nnc4n3CCCC4)CC2)CC1 ZINC000369158094 445960135 /nfs/dbraw/zinc/96/01/35/445960135.db2.gz VVPNKESHRGCGFP-UHFFFAOYSA-N 2 2 346.523 1.606 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ncc([C@H](C)O)s3)C2)CC1 ZINC000366025102 445968898 /nfs/dbraw/zinc/96/88/98/445968898.db2.gz VCTKHBKBTFEVHU-GJZGRUSLSA-N 2 2 338.521 1.797 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncc([C@H](C)O)s3)C2)CC1 ZINC000366025102 445968906 /nfs/dbraw/zinc/96/89/06/445968906.db2.gz VCTKHBKBTFEVHU-GJZGRUSLSA-N 2 2 338.521 1.797 20 0 EDADLP CC(C)OCCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000354225497 446021246 /nfs/dbraw/zinc/02/12/46/446021246.db2.gz XWAQHSWXYSBVQK-KRWDZBQOSA-N 2 2 348.491 1.866 20 0 EDADLP CC(C)OCCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000354225497 446021251 /nfs/dbraw/zinc/02/12/51/446021251.db2.gz XWAQHSWXYSBVQK-KRWDZBQOSA-N 2 2 348.491 1.866 20 0 EDADLP COc1cccc(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369273613 446036741 /nfs/dbraw/zinc/03/67/41/446036741.db2.gz HYUDVNNJCPGZKY-QGZVFWFLSA-N 2 2 345.487 1.913 20 0 EDADLP COc1cccc(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369273613 446036747 /nfs/dbraw/zinc/03/67/47/446036747.db2.gz HYUDVNNJCPGZKY-QGZVFWFLSA-N 2 2 345.487 1.913 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSCc3ccncc3)C2)CC1 ZINC000369274756 446040159 /nfs/dbraw/zinc/04/01/59/446040159.db2.gz RXAXKUZDTQRBSP-INIZCTEOSA-N 2 2 348.516 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSCc3ccncc3)C2)CC1 ZINC000369274756 446040161 /nfs/dbraw/zinc/04/01/61/446040161.db2.gz RXAXKUZDTQRBSP-INIZCTEOSA-N 2 2 348.516 1.600 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000366082700 446002109 /nfs/dbraw/zinc/00/21/09/446002109.db2.gz DBHBVHQTBXKCFD-HNNXBMFYSA-N 2 2 331.464 1.784 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000366082700 446002110 /nfs/dbraw/zinc/00/21/10/446002110.db2.gz DBHBVHQTBXKCFD-HNNXBMFYSA-N 2 2 331.464 1.784 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366104718 446015135 /nfs/dbraw/zinc/01/51/35/446015135.db2.gz HFNWXJXSDNVEGA-AWEZNQCLSA-N 2 2 337.468 1.267 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366104718 446015138 /nfs/dbraw/zinc/01/51/38/446015138.db2.gz HFNWXJXSDNVEGA-AWEZNQCLSA-N 2 2 337.468 1.267 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000583375288 326060236 /nfs/dbraw/zinc/06/02/36/326060236.db2.gz DEGKBQVJPGNCJV-MRXNPFEDSA-N 2 2 332.448 1.562 20 0 EDADLP COc1ccc([C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)c2[nH+]ccn2C)cc1 ZINC000583537990 326089968 /nfs/dbraw/zinc/08/99/68/326089968.db2.gz RBJWFRIPGBVRLQ-SJLPKXTDSA-N 2 2 344.459 1.563 20 0 EDADLP COc1ccc([C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)c2[nH+]ccn2C)cc1 ZINC000583537990 326089970 /nfs/dbraw/zinc/08/99/70/326089970.db2.gz RBJWFRIPGBVRLQ-SJLPKXTDSA-N 2 2 344.459 1.563 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3(CC(N)=O)CC3)c2cc1C ZINC000583560018 326095369 /nfs/dbraw/zinc/09/53/69/326095369.db2.gz RAHHPTWHOSPSQH-AWEZNQCLSA-N 2 2 330.432 1.259 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000583867042 326154858 /nfs/dbraw/zinc/15/48/58/326154858.db2.gz QBYZPXFUFKCFRH-HOTGVXAUSA-N 2 2 342.867 1.780 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000583867042 326154860 /nfs/dbraw/zinc/15/48/60/326154860.db2.gz QBYZPXFUFKCFRH-HOTGVXAUSA-N 2 2 342.867 1.780 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COc1cccc2[nH]ccc21 ZINC000584048952 326189577 /nfs/dbraw/zinc/18/95/77/326189577.db2.gz QREKVSFAOJWKTA-OLZOCXBDSA-N 2 2 326.400 1.778 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)COc1cccc2[nH]ccc21 ZINC000584048952 326189580 /nfs/dbraw/zinc/18/95/80/326189580.db2.gz QREKVSFAOJWKTA-OLZOCXBDSA-N 2 2 326.400 1.778 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000584103001 326199635 /nfs/dbraw/zinc/19/96/35/326199635.db2.gz JYCPIKVOADAZRN-DOTOQJQBSA-N 2 2 331.464 1.297 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000584142890 326206738 /nfs/dbraw/zinc/20/67/38/326206738.db2.gz YDQCUVJVJZSHTQ-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000584142890 326206742 /nfs/dbraw/zinc/20/67/42/326206742.db2.gz YDQCUVJVJZSHTQ-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000584142890 326206745 /nfs/dbraw/zinc/20/67/45/326206745.db2.gz YDQCUVJVJZSHTQ-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000584142890 326206747 /nfs/dbraw/zinc/20/67/47/326206747.db2.gz YDQCUVJVJZSHTQ-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccco1 ZINC000366198310 446079159 /nfs/dbraw/zinc/07/91/59/446079159.db2.gz XKXMQDKZCWUTSM-GJZGRUSLSA-N 2 2 336.436 1.045 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccco1 ZINC000366198310 446079164 /nfs/dbraw/zinc/07/91/64/446079164.db2.gz XKXMQDKZCWUTSM-GJZGRUSLSA-N 2 2 336.436 1.045 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000361931709 446081638 /nfs/dbraw/zinc/08/16/38/446081638.db2.gz YEMHPMYGPGRPAF-WMLDXEAASA-N 2 2 339.443 1.576 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000361931709 446081642 /nfs/dbraw/zinc/08/16/42/446081642.db2.gz YEMHPMYGPGRPAF-WMLDXEAASA-N 2 2 339.443 1.576 20 0 EDADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359300748 446133083 /nfs/dbraw/zinc/13/30/83/446133083.db2.gz HQSSWAIIMRTIRQ-SCTDSRPQSA-N 2 2 343.471 1.900 20 0 EDADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359300748 446133090 /nfs/dbraw/zinc/13/30/90/446133090.db2.gz HQSSWAIIMRTIRQ-SCTDSRPQSA-N 2 2 343.471 1.900 20 0 EDADLP CSC1(CNC(=O)[C@@H](C)[NH+]2CCSCC2)CC[NH+](C)CC1 ZINC000359301241 446133800 /nfs/dbraw/zinc/13/38/00/446133800.db2.gz VUCPIGNXQMLBGQ-CYBMUJFWSA-N 2 2 331.551 1.367 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000354352588 446135959 /nfs/dbraw/zinc/13/59/59/446135959.db2.gz QQFVTBIVYRRUNJ-MSOLQXFVSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000354352588 446135965 /nfs/dbraw/zinc/13/59/65/446135965.db2.gz QQFVTBIVYRRUNJ-MSOLQXFVSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000354352588 446135969 /nfs/dbraw/zinc/13/59/69/446135969.db2.gz QQFVTBIVYRRUNJ-MSOLQXFVSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000354352588 446135977 /nfs/dbraw/zinc/13/59/77/446135977.db2.gz QQFVTBIVYRRUNJ-MSOLQXFVSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1(F)F ZINC000359305231 446138010 /nfs/dbraw/zinc/13/80/10/446138010.db2.gz AXLPLIQRYONDRZ-UONOGXRCSA-N 2 2 329.435 1.954 20 0 EDADLP CCOCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365258187 446107616 /nfs/dbraw/zinc/10/76/16/446107616.db2.gz CNKGJHKQCGQPHN-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCOCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365258187 446107624 /nfs/dbraw/zinc/10/76/24/446107624.db2.gz CNKGJHKQCGQPHN-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H]4CCC[C@@H]43)C2)CC1 ZINC000369375304 446113067 /nfs/dbraw/zinc/11/30/67/446113067.db2.gz WYFRJUONRUKCLA-BHYGNILZSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@@H]4CCC[C@@H]43)C2)CC1 ZINC000369375304 446113073 /nfs/dbraw/zinc/11/30/73/446113073.db2.gz WYFRJUONRUKCLA-BHYGNILZSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@@H+]1CC[C@@H](CNC(=O)NCCn2cc[nH+]c2)[C@H]1c1cccs1 ZINC000365282393 446124458 /nfs/dbraw/zinc/12/44/58/446124458.db2.gz KXPLEDBSNRPVFX-ZFWWWQNUSA-N 2 2 333.461 1.937 20 0 EDADLP C[N@H+]1CC[C@@H](CNC(=O)NCCn2cc[nH+]c2)[C@H]1c1cccs1 ZINC000365282393 446124464 /nfs/dbraw/zinc/12/44/64/446124464.db2.gz KXPLEDBSNRPVFX-ZFWWWQNUSA-N 2 2 333.461 1.937 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000351527833 446129585 /nfs/dbraw/zinc/12/95/85/446129585.db2.gz BWUMIONHDPVLPC-MRXNPFEDSA-N 2 2 332.496 1.905 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000351527833 446129594 /nfs/dbraw/zinc/12/95/94/446129594.db2.gz BWUMIONHDPVLPC-MRXNPFEDSA-N 2 2 332.496 1.905 20 0 EDADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(C)C ZINC000356927571 446131376 /nfs/dbraw/zinc/13/13/76/446131376.db2.gz UKKFOTYIQOAKCM-MAUKXSAKSA-N 2 2 332.448 1.545 20 0 EDADLP CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(C)C ZINC000356927571 446131380 /nfs/dbraw/zinc/13/13/80/446131380.db2.gz UKKFOTYIQOAKCM-MAUKXSAKSA-N 2 2 332.448 1.545 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000370159116 446186439 /nfs/dbraw/zinc/18/64/39/446186439.db2.gz FKXPHOPBEXZTLW-CVEARBPZSA-N 3 2 345.491 1.373 20 0 EDADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000351556433 446154286 /nfs/dbraw/zinc/15/42/86/446154286.db2.gz OIFIILDZRQLKTJ-INIZCTEOSA-N 2 2 340.383 1.681 20 0 EDADLP CN(C(=O)CCc1c[nH+]cn1C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000373481023 446232649 /nfs/dbraw/zinc/23/26/49/446232649.db2.gz CWGIWMBYRAJYGW-UHFFFAOYSA-N 2 2 327.432 1.875 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000359485405 446253073 /nfs/dbraw/zinc/25/30/73/446253073.db2.gz TTYBNDICDFJKFK-UHFFFAOYSA-N 2 2 329.404 1.314 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000365580765 446261026 /nfs/dbraw/zinc/26/10/26/446261026.db2.gz KECSFEHYCLISAK-DLBZAZTESA-N 2 2 326.400 1.465 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000365580765 446261029 /nfs/dbraw/zinc/26/10/29/446261029.db2.gz KECSFEHYCLISAK-DLBZAZTESA-N 2 2 326.400 1.465 20 0 EDADLP Cn1nnnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366588506 446271720 /nfs/dbraw/zinc/27/17/20/446271720.db2.gz CIKHPZLEDICVJT-UHFFFAOYSA-N 2 2 326.448 1.698 20 0 EDADLP Cn1nnnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366588506 446271723 /nfs/dbraw/zinc/27/17/23/446271723.db2.gz CIKHPZLEDICVJT-UHFFFAOYSA-N 2 2 326.448 1.698 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000362260471 446290427 /nfs/dbraw/zinc/29/04/27/446290427.db2.gz XRJCVCJAXUWZEJ-IBGZPJMESA-N 2 2 331.460 1.518 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373715193 446311261 /nfs/dbraw/zinc/31/12/61/446311261.db2.gz SDCKNNFSQHHCKF-QGZVFWFLSA-N 2 2 334.464 1.683 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373715193 446311262 /nfs/dbraw/zinc/31/12/62/446311262.db2.gz SDCKNNFSQHHCKF-QGZVFWFLSA-N 2 2 334.464 1.683 20 0 EDADLP CN(C(=O)NCc1c[nH+]cn1C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000365720822 446315180 /nfs/dbraw/zinc/31/51/80/446315180.db2.gz SMGPEVYCQXBBHC-UHFFFAOYSA-N 2 2 328.420 1.626 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000366705854 446316511 /nfs/dbraw/zinc/31/65/11/446316511.db2.gz ALKMWNZKOBYWRQ-ZIFCJYIRSA-N 2 2 345.487 1.829 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000366705854 446316512 /nfs/dbraw/zinc/31/65/12/446316512.db2.gz ALKMWNZKOBYWRQ-ZIFCJYIRSA-N 2 2 345.487 1.829 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000366705854 446316513 /nfs/dbraw/zinc/31/65/13/446316513.db2.gz ALKMWNZKOBYWRQ-ZIFCJYIRSA-N 2 2 345.487 1.829 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000366705854 446316514 /nfs/dbraw/zinc/31/65/14/446316514.db2.gz ALKMWNZKOBYWRQ-ZIFCJYIRSA-N 2 2 345.487 1.829 20 0 EDADLP Cc1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc(=O)n2c1 ZINC000362323681 446319363 /nfs/dbraw/zinc/31/93/63/446319363.db2.gz ZENFIYXDKNMGRC-DOTOQJQBSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1ccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc(=O)n2c1 ZINC000362323681 446319366 /nfs/dbraw/zinc/31/93/66/446319366.db2.gz ZENFIYXDKNMGRC-DOTOQJQBSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc(=O)n2c1 ZINC000362323681 446319369 /nfs/dbraw/zinc/31/93/69/446319369.db2.gz ZENFIYXDKNMGRC-DOTOQJQBSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1ccc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc(=O)n2c1 ZINC000362323681 446319371 /nfs/dbraw/zinc/31/93/71/446319371.db2.gz ZENFIYXDKNMGRC-DOTOQJQBSA-N 2 2 326.444 1.919 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417501472 446356344 /nfs/dbraw/zinc/35/63/44/446356344.db2.gz ITIKOLAKRLMLDZ-KRWDZBQOSA-N 2 2 348.491 1.659 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417501472 446356348 /nfs/dbraw/zinc/35/63/48/446356348.db2.gz ITIKOLAKRLMLDZ-KRWDZBQOSA-N 2 2 348.491 1.659 20 0 EDADLP COc1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000370617122 446360364 /nfs/dbraw/zinc/36/03/64/446360364.db2.gz ZNTYAPKABRWIDG-QFBILLFUSA-N 2 2 345.487 1.679 20 0 EDADLP CC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000374407466 446367703 /nfs/dbraw/zinc/36/77/03/446367703.db2.gz WBMIJUDBJAEIQW-AZUAARDMSA-N 2 2 345.487 1.874 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000366826768 446371125 /nfs/dbraw/zinc/37/11/25/446371125.db2.gz NKDDDHVXBYBGNJ-SFHVURJKSA-N 2 2 347.459 1.567 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000366826768 446371129 /nfs/dbraw/zinc/37/11/29/446371129.db2.gz NKDDDHVXBYBGNJ-SFHVURJKSA-N 2 2 347.459 1.567 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000370695829 446391060 /nfs/dbraw/zinc/39/10/60/446391060.db2.gz DFSYGGZKKZBLQU-MRXNPFEDSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000370695829 446391068 /nfs/dbraw/zinc/39/10/68/446391068.db2.gz DFSYGGZKKZBLQU-MRXNPFEDSA-N 2 2 339.480 1.204 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000411027556 446391737 /nfs/dbraw/zinc/39/17/37/446391737.db2.gz OTWKSKCLPGCYHO-OAHLLOKOSA-N 2 2 347.463 1.057 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000411027556 446391741 /nfs/dbraw/zinc/39/17/41/446391741.db2.gz OTWKSKCLPGCYHO-OAHLLOKOSA-N 2 2 347.463 1.057 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000411027556 446391749 /nfs/dbraw/zinc/39/17/49/446391749.db2.gz OTWKSKCLPGCYHO-OAHLLOKOSA-N 2 2 347.463 1.057 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000411027556 446391754 /nfs/dbraw/zinc/39/17/54/446391754.db2.gz OTWKSKCLPGCYHO-OAHLLOKOSA-N 2 2 347.463 1.057 20 0 EDADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(=O)n1C ZINC000365897394 446394193 /nfs/dbraw/zinc/39/41/93/446394193.db2.gz SCXFPNAXFDCBSI-UHFFFAOYSA-N 2 2 326.444 1.843 20 0 EDADLP CO[C@H](C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C)c1ccccc1 ZINC000374797488 446397557 /nfs/dbraw/zinc/39/75/57/446397557.db2.gz XGUIKSCAHCRIEA-YSIASYRMSA-N 2 2 347.503 1.711 20 0 EDADLP CO[C@H](C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C)c1ccccc1 ZINC000374797488 446397559 /nfs/dbraw/zinc/39/75/59/446397559.db2.gz XGUIKSCAHCRIEA-YSIASYRMSA-N 2 2 347.503 1.711 20 0 EDADLP CO[C@H](C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C)c1ccccc1 ZINC000374797488 446397561 /nfs/dbraw/zinc/39/75/61/446397561.db2.gz XGUIKSCAHCRIEA-YSIASYRMSA-N 2 2 347.503 1.711 20 0 EDADLP CO[C@H](C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C)c1ccccc1 ZINC000374797488 446397564 /nfs/dbraw/zinc/39/75/64/446397564.db2.gz XGUIKSCAHCRIEA-YSIASYRMSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000423132840 446434655 /nfs/dbraw/zinc/43/46/55/446434655.db2.gz VAXJNJDOENDRFV-WBVHZDCISA-N 3 2 336.480 1.269 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000423132838 446435255 /nfs/dbraw/zinc/43/52/55/446435255.db2.gz VAXJNJDOENDRFV-NVXWUHKLSA-N 3 2 336.480 1.269 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420270812 446442173 /nfs/dbraw/zinc/44/21/73/446442173.db2.gz JNYCLYVXHVNIPH-INIZCTEOSA-N 2 2 340.471 1.825 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420270812 446442175 /nfs/dbraw/zinc/44/21/75/446442175.db2.gz JNYCLYVXHVNIPH-INIZCTEOSA-N 2 2 340.471 1.825 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420287524 446452916 /nfs/dbraw/zinc/45/29/16/446452916.db2.gz IAJDKFJJAIWHEF-JQHSSLGASA-N 3 2 332.492 1.465 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420287524 446452925 /nfs/dbraw/zinc/45/29/25/446452925.db2.gz IAJDKFJJAIWHEF-JQHSSLGASA-N 3 2 332.492 1.465 20 0 EDADLP FC1(F)C[NH2+]CC[C@H]1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000420275796 446444693 /nfs/dbraw/zinc/44/46/93/446444693.db2.gz GTZCCYHRZDCUPQ-NSHDSACASA-N 2 2 329.420 1.687 20 0 EDADLP FC1(F)C[NH2+]CC[C@H]1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000420275796 446444701 /nfs/dbraw/zinc/44/47/01/446444701.db2.gz GTZCCYHRZDCUPQ-NSHDSACASA-N 2 2 329.420 1.687 20 0 EDADLP c1[nH+]c2c(n1[C@@H]1CC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C1)CCCC2 ZINC000432079342 446448760 /nfs/dbraw/zinc/44/87/60/446448760.db2.gz NEJKDPHGFDOSCA-ZACQAIPSSA-N 2 2 330.476 1.872 20 0 EDADLP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[NH+](CCc3ccccc3)C2)CC1(C)C ZINC000366930487 446414867 /nfs/dbraw/zinc/41/48/67/446414867.db2.gz SMSTWZCCCPJFHL-HXUWFJFHSA-N 3 2 344.547 1.919 20 0 EDADLP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[NH+](CCc3ccccc3)C2)CC1(C)C ZINC000366930487 446414870 /nfs/dbraw/zinc/41/48/70/446414870.db2.gz SMSTWZCCCPJFHL-HXUWFJFHSA-N 3 2 344.547 1.919 20 0 EDADLP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1(C)C ZINC000366930487 446414873 /nfs/dbraw/zinc/41/48/73/446414873.db2.gz SMSTWZCCCPJFHL-HXUWFJFHSA-N 3 2 344.547 1.919 20 0 EDADLP C[NH+]1CCN(CC[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1(C)C ZINC000366930487 446414877 /nfs/dbraw/zinc/41/48/77/446414877.db2.gz SMSTWZCCCPJFHL-HXUWFJFHSA-N 3 2 344.547 1.919 20 0 EDADLP COCC[C@@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000370764262 446423310 /nfs/dbraw/zinc/42/33/10/446423310.db2.gz WOVXFQVWVXDJPZ-IBGZPJMESA-N 2 2 342.443 1.564 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000420295844 446459642 /nfs/dbraw/zinc/45/96/42/446459642.db2.gz WEEVXWIDNNNPTJ-JKSUJKDBSA-N 2 2 347.459 1.642 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000420295844 446459644 /nfs/dbraw/zinc/45/96/44/446459644.db2.gz WEEVXWIDNNNPTJ-JKSUJKDBSA-N 2 2 347.459 1.642 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423236459 446460105 /nfs/dbraw/zinc/46/01/05/446460105.db2.gz HFAFSSDPVCEWTR-GUYCJALGSA-N 2 2 333.457 1.945 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1 ZINC000420304908 446467304 /nfs/dbraw/zinc/46/73/04/446467304.db2.gz JLCIUZOONVSZDC-WDEREUQCSA-N 2 2 331.399 1.506 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1 ZINC000420304908 446467310 /nfs/dbraw/zinc/46/73/10/446467310.db2.gz JLCIUZOONVSZDC-WDEREUQCSA-N 2 2 331.399 1.506 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cscn1 ZINC000423301052 446477507 /nfs/dbraw/zinc/47/75/07/446477507.db2.gz FFJOHRHTSASLMH-ZBFHGGJFSA-N 2 2 346.456 1.160 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cscn1 ZINC000423301052 446477510 /nfs/dbraw/zinc/47/75/10/446477510.db2.gz FFJOHRHTSASLMH-ZBFHGGJFSA-N 2 2 346.456 1.160 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)[NH+]2CCOCC2)c1 ZINC000423335065 446492489 /nfs/dbraw/zinc/49/24/89/446492489.db2.gz TXDWWLWPYZPMDH-AOIWGVFYSA-N 2 2 329.444 1.237 20 0 EDADLP O=C1CC[C@H]([NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](C2CC2)N1 ZINC000367072142 446502236 /nfs/dbraw/zinc/50/22/36/446502236.db2.gz FAODXJVEIFHTKK-CMKODMSKSA-N 2 2 327.472 1.950 20 0 EDADLP O=C1CC[C@H]([NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C2CC2)N1 ZINC000367072142 446502243 /nfs/dbraw/zinc/50/22/43/446502243.db2.gz FAODXJVEIFHTKK-CMKODMSKSA-N 2 2 327.472 1.950 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000423376189 446509158 /nfs/dbraw/zinc/50/91/58/446509158.db2.gz KVKOGNVROWVECB-GUTXKFCHSA-N 2 2 325.478 1.742 20 0 EDADLP Cn1cc([C@H]2[C@H](CNC(=O)CCn3cc[nH+]c3)CCC[N@H+]2C)cn1 ZINC000370920106 446521469 /nfs/dbraw/zinc/52/14/69/446521469.db2.gz ZAHIDXYQRJYXNA-WMLDXEAASA-N 2 2 330.436 1.206 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418400728 446529175 /nfs/dbraw/zinc/52/91/75/446529175.db2.gz MTRCFXDBWRLIKX-MRXNPFEDSA-N 2 2 327.432 1.810 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC[C@H]3CCO)C2)CC1 ZINC000375036323 446531899 /nfs/dbraw/zinc/53/18/99/446531899.db2.gz HBDREXSEJUFMOT-WBVHZDCISA-N 2 2 338.496 1.101 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC[C@H]3CCO)C2)CC1 ZINC000375036323 446531904 /nfs/dbraw/zinc/53/19/04/446531904.db2.gz HBDREXSEJUFMOT-WBVHZDCISA-N 2 2 338.496 1.101 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000420357853 446537084 /nfs/dbraw/zinc/53/70/84/446537084.db2.gz HXNWTJVQGSUPFM-QGZVFWFLSA-N 2 2 347.503 1.814 20 0 EDADLP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCOCC1 ZINC000453083540 446543539 /nfs/dbraw/zinc/54/35/39/446543539.db2.gz DJPIGVKQFKNTSJ-HOTGVXAUSA-N 2 2 341.496 1.103 20 0 EDADLP COC1([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCOCC1 ZINC000453083540 446543542 /nfs/dbraw/zinc/54/35/42/446543542.db2.gz DJPIGVKQFKNTSJ-HOTGVXAUSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000420364657 446543968 /nfs/dbraw/zinc/54/39/68/446543968.db2.gz KJQFLRUCOZAEOM-OHUAYANFSA-N 2 2 348.403 1.040 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000420365548 446546022 /nfs/dbraw/zinc/54/60/22/446546022.db2.gz QGLCKQYTFPGWJL-OAHLLOKOSA-N 2 2 332.448 1.715 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000418448005 446546342 /nfs/dbraw/zinc/54/63/42/446546342.db2.gz IYCHSSQPLSMXDH-MSOLQXFVSA-N 2 2 346.475 1.583 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000420396694 446569493 /nfs/dbraw/zinc/56/94/93/446569493.db2.gz WBELIHLDOPTJFL-SJLPKXTDSA-N 2 2 349.475 1.320 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000420396694 446569500 /nfs/dbraw/zinc/56/95/00/446569500.db2.gz WBELIHLDOPTJFL-SJLPKXTDSA-N 2 2 349.475 1.320 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420396695 446569632 /nfs/dbraw/zinc/56/96/32/446569632.db2.gz WBELIHLDOPTJFL-WMZOPIPTSA-N 2 2 349.475 1.320 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420396695 446569639 /nfs/dbraw/zinc/56/96/39/446569639.db2.gz WBELIHLDOPTJFL-WMZOPIPTSA-N 2 2 349.475 1.320 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cn1 ZINC000375091352 446574640 /nfs/dbraw/zinc/57/46/40/446574640.db2.gz RURPFASASXBVPN-UHFFFAOYSA-N 2 2 344.484 1.993 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cn1 ZINC000375091352 446574647 /nfs/dbraw/zinc/57/46/47/446574647.db2.gz RURPFASASXBVPN-UHFFFAOYSA-N 2 2 344.484 1.993 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420402720 446576433 /nfs/dbraw/zinc/57/64/33/446576433.db2.gz KJQLNADFZLTOLI-UONOGXRCSA-N 2 2 333.432 1.719 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420402720 446576437 /nfs/dbraw/zinc/57/64/37/446576437.db2.gz KJQLNADFZLTOLI-UONOGXRCSA-N 2 2 333.432 1.719 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCN1C ZINC000433466753 446578737 /nfs/dbraw/zinc/57/87/37/446578737.db2.gz NUJMMWIFGLRDEZ-IAGOWNOFSA-N 2 2 345.491 1.642 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCN1C ZINC000433466753 446578741 /nfs/dbraw/zinc/57/87/41/446578741.db2.gz NUJMMWIFGLRDEZ-IAGOWNOFSA-N 2 2 345.491 1.642 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433577003 446588748 /nfs/dbraw/zinc/58/87/48/446588748.db2.gz XGOZKKUAVGUOLD-RPCCPQHDSA-N 2 2 347.463 1.422 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433577003 446588753 /nfs/dbraw/zinc/58/87/53/446588753.db2.gz XGOZKKUAVGUOLD-RPCCPQHDSA-N 2 2 347.463 1.422 20 0 EDADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)C34CCC[NH+]3CCC4)cc2)[nH]1 ZINC000423592478 446592988 /nfs/dbraw/zinc/59/29/88/446592988.db2.gz KTKZFHVKSBVYNL-UHFFFAOYSA-N 2 2 326.404 1.497 20 0 EDADLP C[C@@H]1C[N@H+](CCCNc2cc(N3CCOCC3)[nH+]cn2)CCCO1 ZINC000433810379 446602002 /nfs/dbraw/zinc/60/20/02/446602002.db2.gz DSNDFPWFBIFSCN-OAHLLOKOSA-N 2 2 335.452 1.226 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCOCC3)[nH+]cn2)CCCO1 ZINC000433810379 446602011 /nfs/dbraw/zinc/60/20/11/446602011.db2.gz DSNDFPWFBIFSCN-OAHLLOKOSA-N 2 2 335.452 1.226 20 0 EDADLP C[C@@H]1C[N@H+](CCCNc2cc(N3CCOCC3)nc[nH+]2)CCCO1 ZINC000433810379 446602015 /nfs/dbraw/zinc/60/20/15/446602015.db2.gz DSNDFPWFBIFSCN-OAHLLOKOSA-N 2 2 335.452 1.226 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCOCC3)nc[nH+]2)CCCO1 ZINC000433810379 446602020 /nfs/dbraw/zinc/60/20/20/446602020.db2.gz DSNDFPWFBIFSCN-OAHLLOKOSA-N 2 2 335.452 1.226 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@@H+]1C ZINC000433811825 446602303 /nfs/dbraw/zinc/60/23/03/446602303.db2.gz SPHQWSDDQHVDJA-HZPDHXFCSA-N 2 2 333.480 1.604 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[N@H+]1C ZINC000433811825 446602308 /nfs/dbraw/zinc/60/23/08/446602308.db2.gz SPHQWSDDQHVDJA-HZPDHXFCSA-N 2 2 333.480 1.604 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434351367 446637902 /nfs/dbraw/zinc/63/79/02/446637902.db2.gz JXSKGRIORNNEDN-INIZCTEOSA-N 2 2 338.496 1.415 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434351367 446637908 /nfs/dbraw/zinc/63/79/08/446637908.db2.gz JXSKGRIORNNEDN-INIZCTEOSA-N 2 2 338.496 1.415 20 0 EDADLP CC1(S(=O)(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000420467550 446644692 /nfs/dbraw/zinc/64/46/92/446644692.db2.gz DKBHSZPGKBLUJE-UHFFFAOYSA-N 2 2 337.489 1.452 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)[C@@H](c2ccccc2)C1 ZINC000423722576 446660581 /nfs/dbraw/zinc/66/05/81/446660581.db2.gz GJRWJNQRJSZIJI-MAUKXSAKSA-N 2 2 339.443 1.616 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)[C@@H](c2ccccc2)C1 ZINC000423722576 446660589 /nfs/dbraw/zinc/66/05/89/446660589.db2.gz GJRWJNQRJSZIJI-MAUKXSAKSA-N 2 2 339.443 1.616 20 0 EDADLP O=C([C@@H]1COCC[NH2+]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423738358 446669933 /nfs/dbraw/zinc/66/99/33/446669933.db2.gz DYSFEFJJKKCGCV-SFHVURJKSA-N 2 2 331.460 1.142 20 0 EDADLP O=C([C@@H]1COCC[NH2+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423738358 446669941 /nfs/dbraw/zinc/66/99/41/446669941.db2.gz DYSFEFJJKKCGCV-SFHVURJKSA-N 2 2 331.460 1.142 20 0 EDADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2ccco2)CC1 ZINC000418751002 446670314 /nfs/dbraw/zinc/67/03/14/446670314.db2.gz PWWHFDYIDOFKGW-CYBMUJFWSA-N 2 2 328.363 1.104 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376715122 446671730 /nfs/dbraw/zinc/67/17/30/446671730.db2.gz JJAKBWJNVXDALD-HZPDHXFCSA-N 2 2 328.460 1.899 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376715122 446671739 /nfs/dbraw/zinc/67/17/39/446671739.db2.gz JJAKBWJNVXDALD-HZPDHXFCSA-N 2 2 328.460 1.899 20 0 EDADLP COC1CC[NH+](C2(CNc3nc[nH+]c(N)c3Cl)CCCC2)CC1 ZINC000434082135 446620925 /nfs/dbraw/zinc/62/09/25/446620925.db2.gz VURVXNCXHZLYNX-UHFFFAOYSA-N 2 2 339.871 2.548 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000376649324 446628120 /nfs/dbraw/zinc/62/81/20/446628120.db2.gz RZWLOZNDKFMVNO-ZHALLVOQSA-N 2 2 329.444 1.176 20 0 EDADLP CC(C)(C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]([NH3+])c1ccccc1 ZINC000423756041 446685032 /nfs/dbraw/zinc/68/50/32/446685032.db2.gz KRYFGSQYACMCNO-DLBZAZTESA-N 2 2 331.460 1.692 20 0 EDADLP CC(C)(C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]([NH3+])c1ccccc1 ZINC000423756041 446685038 /nfs/dbraw/zinc/68/50/38/446685038.db2.gz KRYFGSQYACMCNO-DLBZAZTESA-N 2 2 331.460 1.692 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000368195181 446699765 /nfs/dbraw/zinc/69/97/65/446699765.db2.gz UYECRMFPXARPTI-BFYDXBDKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000368195181 446699783 /nfs/dbraw/zinc/69/97/83/446699783.db2.gz UYECRMFPXARPTI-BFYDXBDKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368195181 446699790 /nfs/dbraw/zinc/69/97/90/446699790.db2.gz UYECRMFPXARPTI-BFYDXBDKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368195181 446699794 /nfs/dbraw/zinc/69/97/94/446699794.db2.gz UYECRMFPXARPTI-BFYDXBDKSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCCOCc3ccccc3)CCO2)CC1 ZINC000368198158 446703608 /nfs/dbraw/zinc/70/36/08/446703608.db2.gz CEPSYLFIZNJURO-FQEVSTJZSA-N 2 2 347.503 1.542 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423822506 446712334 /nfs/dbraw/zinc/71/23/34/446712334.db2.gz ITSXQVDKNCCUNA-OCCSQVGLSA-N 2 2 327.350 1.847 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423822506 446712339 /nfs/dbraw/zinc/71/23/39/446712339.db2.gz ITSXQVDKNCCUNA-OCCSQVGLSA-N 2 2 327.350 1.847 20 0 EDADLP O[C@H]1C[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[N@H+](Cc2ccccc2)C1 ZINC000368227190 446722333 /nfs/dbraw/zinc/72/23/33/446722333.db2.gz OWMGLWZGOYPJBY-IRXDYDNUSA-N 2 2 337.427 1.635 20 0 EDADLP O[C@H]1C[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[N@@H+](Cc2ccccc2)C1 ZINC000368227190 446722341 /nfs/dbraw/zinc/72/23/41/446722341.db2.gz OWMGLWZGOYPJBY-IRXDYDNUSA-N 2 2 337.427 1.635 20 0 EDADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccccc1 ZINC000371258934 446722859 /nfs/dbraw/zinc/72/28/59/446722859.db2.gz QVKJURWBNMABBQ-KSZLIROESA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccccc1 ZINC000371258934 446722865 /nfs/dbraw/zinc/72/28/65/446722865.db2.gz QVKJURWBNMABBQ-KSZLIROESA-N 2 2 331.460 1.659 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000423750213 446679893 /nfs/dbraw/zinc/67/98/93/446679893.db2.gz XFWXFRJYLRJNFP-KRWDZBQOSA-N 2 2 327.432 1.073 20 0 EDADLP [NH3+]CCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000423749762 446680673 /nfs/dbraw/zinc/68/06/73/446680673.db2.gz SFNDYWNHNGIWNY-UHFFFAOYSA-N 2 2 349.866 1.761 20 0 EDADLP [NH3+]CCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000423749762 446680676 /nfs/dbraw/zinc/68/06/76/446680676.db2.gz SFNDYWNHNGIWNY-UHFFFAOYSA-N 2 2 349.866 1.761 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000368281857 446757392 /nfs/dbraw/zinc/75/73/92/446757392.db2.gz OZHODDBIVUAMOU-HZPDHXFCSA-N 2 2 337.464 1.147 20 0 EDADLP CC(C)c1nc(CN2CCC[N@H+](CCCn3cc[nH+]c3)CC2)no1 ZINC000376859682 446760279 /nfs/dbraw/zinc/76/02/79/446760279.db2.gz UCIVNVSKXLVGTR-UHFFFAOYSA-N 2 2 332.452 1.988 20 0 EDADLP CC(C)c1nc(CN2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)no1 ZINC000376859682 446760285 /nfs/dbraw/zinc/76/02/85/446760285.db2.gz UCIVNVSKXLVGTR-UHFFFAOYSA-N 2 2 332.452 1.988 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(Oc3ccccn3)CC2)CC1 ZINC000437892512 446770042 /nfs/dbraw/zinc/77/00/42/446770042.db2.gz YIULCANBAQPNOV-INIZCTEOSA-N 2 2 346.475 1.477 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CC[C@H](C)[NH3+] ZINC000423921372 446770519 /nfs/dbraw/zinc/77/05/19/446770519.db2.gz ICFGJTZTEYSGBW-UBHSHLNASA-N 2 2 342.484 1.950 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CC[C@H](C)[NH3+] ZINC000423921372 446770525 /nfs/dbraw/zinc/77/05/25/446770525.db2.gz ICFGJTZTEYSGBW-UBHSHLNASA-N 2 2 342.484 1.950 20 0 EDADLP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423921971 446771057 /nfs/dbraw/zinc/77/10/57/446771057.db2.gz VJRUNJKXHLGSTD-KBPBESRZSA-N 2 2 325.453 1.776 20 0 EDADLP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423921971 446771065 /nfs/dbraw/zinc/77/10/65/446771065.db2.gz VJRUNJKXHLGSTD-KBPBESRZSA-N 2 2 325.453 1.776 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000423922269 446772000 /nfs/dbraw/zinc/77/20/00/446772000.db2.gz VOHMZOMJAODQTH-XUXIUFHCSA-N 2 2 325.453 1.904 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000423922269 446772005 /nfs/dbraw/zinc/77/20/05/446772005.db2.gz VOHMZOMJAODQTH-XUXIUFHCSA-N 2 2 325.453 1.904 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)CC1 ZINC000375404171 446776111 /nfs/dbraw/zinc/77/61/11/446776111.db2.gz NNLYIUGWXVRVSL-LJQANCHMSA-N 2 2 329.444 1.282 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)CC1 ZINC000375404171 446776116 /nfs/dbraw/zinc/77/61/16/446776116.db2.gz NNLYIUGWXVRVSL-LJQANCHMSA-N 2 2 329.444 1.282 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423933247 446783119 /nfs/dbraw/zinc/78/31/19/446783119.db2.gz VDRSLISCXPEGTM-HZPDHXFCSA-N 2 2 344.459 1.804 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(-n2ccnn2)c1 ZINC000376900429 446786448 /nfs/dbraw/zinc/78/64/48/446786448.db2.gz ZTNKJKINTQYLCD-QGTPRVQTSA-N 2 2 327.432 1.781 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(-n2ccnn2)c1 ZINC000376900429 446786453 /nfs/dbraw/zinc/78/64/53/446786453.db2.gz ZTNKJKINTQYLCD-QGTPRVQTSA-N 2 2 327.432 1.781 20 0 EDADLP CCCS(=O)(=O)CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371349613 446795413 /nfs/dbraw/zinc/79/54/13/446795413.db2.gz KNWXHCNYNDWEOV-UHFFFAOYSA-N 2 2 345.553 1.302 20 0 EDADLP Cc1c[nH+]ccc1N1CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000418935285 446810163 /nfs/dbraw/zinc/81/01/63/446810163.db2.gz LCCPPJSBUQYRAI-HNNXBMFYSA-N 2 2 335.448 1.869 20 0 EDADLP Cc1c[nH+]ccc1N1CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000418935285 446810168 /nfs/dbraw/zinc/81/01/68/446810168.db2.gz LCCPPJSBUQYRAI-HNNXBMFYSA-N 2 2 335.448 1.869 20 0 EDADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371382885 446820725 /nfs/dbraw/zinc/82/07/25/446820725.db2.gz AAJLTEIXQHBWMY-OLZOCXBDSA-N 2 2 330.436 1.856 20 0 EDADLP COc1cccc(C(=O)N2CCC[N@H+](CCn3cc[nH+]c3)CC2)c1 ZINC000371387545 446825058 /nfs/dbraw/zinc/82/50/58/446825058.db2.gz DCFLRLCBHHCFSH-UHFFFAOYSA-N 2 2 328.416 1.740 20 0 EDADLP COc1cccc(C(=O)N2CCC[N@@H+](CCn3cc[nH+]c3)CC2)c1 ZINC000371387545 446825064 /nfs/dbraw/zinc/82/50/64/446825064.db2.gz DCFLRLCBHHCFSH-UHFFFAOYSA-N 2 2 328.416 1.740 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000371397484 446830049 /nfs/dbraw/zinc/83/00/49/446830049.db2.gz ONYSKTAUMMLCCI-MRXNPFEDSA-N 3 2 333.480 1.245 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000371397484 446830056 /nfs/dbraw/zinc/83/00/56/446830056.db2.gz ONYSKTAUMMLCCI-MRXNPFEDSA-N 3 2 333.480 1.245 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000371397484 446830062 /nfs/dbraw/zinc/83/00/62/446830062.db2.gz ONYSKTAUMMLCCI-MRXNPFEDSA-N 2 2 333.480 1.245 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000371397484 446830066 /nfs/dbraw/zinc/83/00/66/446830066.db2.gz ONYSKTAUMMLCCI-MRXNPFEDSA-N 2 2 333.480 1.245 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3cnccn3)CC2)CC1 ZINC000376997119 446848792 /nfs/dbraw/zinc/84/87/92/446848792.db2.gz KJMBAXGSFOHGAY-HNNXBMFYSA-N 2 2 331.464 1.209 20 0 EDADLP CCCCNc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000439104091 446807281 /nfs/dbraw/zinc/80/72/81/446807281.db2.gz YSBCGJUUQKJZJY-OKILXGFUSA-N 2 2 336.484 1.604 20 0 EDADLP CCCCNc1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000439104091 446807288 /nfs/dbraw/zinc/80/72/88/446807288.db2.gz YSBCGJUUQKJZJY-OKILXGFUSA-N 2 2 336.484 1.604 20 0 EDADLP CCCCNc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]c(N)n1 ZINC000439104091 446807294 /nfs/dbraw/zinc/80/72/94/446807294.db2.gz YSBCGJUUQKJZJY-OKILXGFUSA-N 2 2 336.484 1.604 20 0 EDADLP CCCCNc1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]c(N)n1 ZINC000439104091 446807301 /nfs/dbraw/zinc/80/73/01/446807301.db2.gz YSBCGJUUQKJZJY-OKILXGFUSA-N 2 2 336.484 1.604 20 0 EDADLP CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420897899 446875645 /nfs/dbraw/zinc/87/56/45/446875645.db2.gz BNJATKLMAQVFLP-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420897899 446875648 /nfs/dbraw/zinc/87/56/48/446875648.db2.gz BNJATKLMAQVFLP-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])nc[nH+]1 ZINC000424460406 446877999 /nfs/dbraw/zinc/87/79/99/446877999.db2.gz JRADZTMDBWDVOJ-BFHYXJOUSA-N 2 2 347.467 1.056 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[nH+]cn1 ZINC000424460406 446878005 /nfs/dbraw/zinc/87/80/05/446878005.db2.gz JRADZTMDBWDVOJ-BFHYXJOUSA-N 2 2 347.467 1.056 20 0 EDADLP C[C@@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1CCO ZINC000420924460 446894751 /nfs/dbraw/zinc/89/47/51/446894751.db2.gz STUMIMLSQASENH-QGZVFWFLSA-N 2 2 333.476 1.017 20 0 EDADLP C[C@@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1CCO ZINC000420924460 446894755 /nfs/dbraw/zinc/89/47/55/446894755.db2.gz STUMIMLSQASENH-QGZVFWFLSA-N 2 2 333.476 1.017 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+]1CCC[C@@H](C)C1 ZINC000454519531 446898083 /nfs/dbraw/zinc/89/80/83/446898083.db2.gz WOPXXYSNYWISCF-NCOADZHNSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+]2CCO[C@H]1C2)[NH+]1CCC[C@@H](C)C1 ZINC000454519531 446898092 /nfs/dbraw/zinc/89/80/92/446898092.db2.gz WOPXXYSNYWISCF-NCOADZHNSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000454519531 446898099 /nfs/dbraw/zinc/89/80/99/446898099.db2.gz WOPXXYSNYWISCF-NCOADZHNSA-N 2 2 338.496 1.221 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454545435 446908021 /nfs/dbraw/zinc/90/80/21/446908021.db2.gz MYVFGRMMPDNLEK-OIISXLGYSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000454545435 446908027 /nfs/dbraw/zinc/90/80/27/446908027.db2.gz MYVFGRMMPDNLEK-OIISXLGYSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454545435 446908032 /nfs/dbraw/zinc/90/80/32/446908032.db2.gz MYVFGRMMPDNLEK-OIISXLGYSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454545435 446908037 /nfs/dbraw/zinc/90/80/37/446908037.db2.gz MYVFGRMMPDNLEK-OIISXLGYSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@]2(CCOC2)O1 ZINC000420969793 446941239 /nfs/dbraw/zinc/94/12/39/446941239.db2.gz YRPLQKRQHVSAEI-YLJYHZDGSA-N 2 2 346.471 1.899 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@]2(CCOC2)O1 ZINC000420969793 446941245 /nfs/dbraw/zinc/94/12/45/446941245.db2.gz YRPLQKRQHVSAEI-YLJYHZDGSA-N 2 2 346.471 1.899 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000442795013 446971236 /nfs/dbraw/zinc/97/12/36/446971236.db2.gz UGIJQGPHWCJMBM-OLZOCXBDSA-N 2 2 330.432 1.186 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000442795013 446971246 /nfs/dbraw/zinc/97/12/46/446971246.db2.gz UGIJQGPHWCJMBM-OLZOCXBDSA-N 2 2 330.432 1.186 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420979175 446952728 /nfs/dbraw/zinc/95/27/28/446952728.db2.gz VFVNVQCUNRQSJS-QGZVFWFLSA-N 2 2 333.476 1.017 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420979175 446952734 /nfs/dbraw/zinc/95/27/34/446952734.db2.gz VFVNVQCUNRQSJS-QGZVFWFLSA-N 2 2 333.476 1.017 20 0 EDADLP C[C@@H]1CN(CCO)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420979175 446952744 /nfs/dbraw/zinc/95/27/44/446952744.db2.gz VFVNVQCUNRQSJS-QGZVFWFLSA-N 2 2 333.476 1.017 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442761918 446955698 /nfs/dbraw/zinc/95/56/98/446955698.db2.gz ZCRVODJAECKUGA-OBJOEFQTSA-N 2 2 348.447 1.650 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442761918 446955704 /nfs/dbraw/zinc/95/57/04/446955704.db2.gz ZCRVODJAECKUGA-OBJOEFQTSA-N 2 2 348.447 1.650 20 0 EDADLP CC(C)Cn1ncnc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000368590969 446964202 /nfs/dbraw/zinc/96/42/02/446964202.db2.gz MLAXVTUESFGCPL-KRWDZBQOSA-N 2 2 334.512 1.534 20 0 EDADLP CC(C)Cn1ncnc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000368590969 446964206 /nfs/dbraw/zinc/96/42/06/446964206.db2.gz MLAXVTUESFGCPL-KRWDZBQOSA-N 2 2 334.512 1.534 20 0 EDADLP CCn1cc(CC[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000375671641 446965432 /nfs/dbraw/zinc/96/54/32/446965432.db2.gz ISBRAXUYYJALBC-IBGZPJMESA-N 2 2 349.523 1.172 20 0 EDADLP CCn1cc(CC[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000375671641 446965441 /nfs/dbraw/zinc/96/54/41/446965441.db2.gz ISBRAXUYYJALBC-IBGZPJMESA-N 2 2 349.523 1.172 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1)N1CCOCC1 ZINC000368593731 446966116 /nfs/dbraw/zinc/96/61/16/446966116.db2.gz QEGGLWSMSUYNQW-UHFFFAOYSA-N 2 2 335.423 1.239 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H]1CCC(C)(C)O1 ZINC000368644650 447002319 /nfs/dbraw/zinc/00/23/19/447002319.db2.gz XETPHJFRDZAFKL-BRWVUGGUSA-N 2 2 325.497 1.281 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H]1CCC(C)(C)O1 ZINC000368644650 447002321 /nfs/dbraw/zinc/00/23/21/447002321.db2.gz XETPHJFRDZAFKL-BRWVUGGUSA-N 2 2 325.497 1.281 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H]1CCC(C)(C)O1 ZINC000368644650 447002326 /nfs/dbraw/zinc/00/23/26/447002326.db2.gz XETPHJFRDZAFKL-BRWVUGGUSA-N 2 2 325.497 1.281 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H]1CCC(C)(C)O1 ZINC000368644650 447002329 /nfs/dbraw/zinc/00/23/29/447002329.db2.gz XETPHJFRDZAFKL-BRWVUGGUSA-N 2 2 325.497 1.281 20 0 EDADLP Cc1ccc(C(=O)CC[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372353967 447047000 /nfs/dbraw/zinc/04/70/00/447047000.db2.gz HZAAJSIHEAZQMB-IBGZPJMESA-N 2 2 345.487 1.516 20 0 EDADLP Cc1ccc(C(=O)CC[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372353967 447047002 /nfs/dbraw/zinc/04/70/02/447047002.db2.gz HZAAJSIHEAZQMB-IBGZPJMESA-N 2 2 345.487 1.516 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000377328227 447068399 /nfs/dbraw/zinc/06/83/99/447068399.db2.gz AXEDYIRMPXVAGC-GDBMZVCRSA-N 2 2 335.452 1.086 20 0 EDADLP CN(C)c1[nH+]cc(CN2CC[NH+](CCc3ccccc3)CC2)n1C ZINC000425328804 447117336 /nfs/dbraw/zinc/11/73/36/447117336.db2.gz RZYULMKIYFEVHJ-UHFFFAOYSA-N 2 2 327.476 1.846 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)on1 ZINC000375888834 447123037 /nfs/dbraw/zinc/12/30/37/447123037.db2.gz IGODHWSIUZVOBA-HNNXBMFYSA-N 2 2 335.452 1.022 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)on1 ZINC000375888834 447123038 /nfs/dbraw/zinc/12/30/38/447123038.db2.gz IGODHWSIUZVOBA-HNNXBMFYSA-N 2 2 335.452 1.022 20 0 EDADLP CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372479023 447077257 /nfs/dbraw/zinc/07/72/57/447077257.db2.gz ZRIYWURKJVEDBY-MWDXBVQZSA-N 2 2 325.497 1.770 20 0 EDADLP CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372479023 447077262 /nfs/dbraw/zinc/07/72/62/447077262.db2.gz ZRIYWURKJVEDBY-MWDXBVQZSA-N 2 2 325.497 1.770 20 0 EDADLP CCN(CC)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000372540588 447123459 /nfs/dbraw/zinc/12/34/59/447123459.db2.gz QTCDWEUPFMJQRM-QFBILLFUSA-N 2 2 349.523 1.993 20 0 EDADLP CCN(CC)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000372540588 447123467 /nfs/dbraw/zinc/12/34/67/447123467.db2.gz QTCDWEUPFMJQRM-QFBILLFUSA-N 2 2 349.523 1.993 20 0 EDADLP CCN(CC)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000372540588 447123474 /nfs/dbraw/zinc/12/34/74/447123474.db2.gz QTCDWEUPFMJQRM-QFBILLFUSA-N 2 2 349.523 1.993 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000455201748 447082070 /nfs/dbraw/zinc/08/20/70/447082070.db2.gz XZUGHQKPGDZLEK-GVDBMIGSSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000455201748 447082074 /nfs/dbraw/zinc/08/20/74/447082074.db2.gz XZUGHQKPGDZLEK-GVDBMIGSSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1ocnc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372488087 447082433 /nfs/dbraw/zinc/08/24/33/447082433.db2.gz XCDSHJRIVRDUBI-HNNXBMFYSA-N 2 2 335.452 1.293 20 0 EDADLP Cc1ocnc1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372488087 447082437 /nfs/dbraw/zinc/08/24/37/447082437.db2.gz XCDSHJRIVRDUBI-HNNXBMFYSA-N 2 2 335.452 1.293 20 0 EDADLP CCN(CC)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000372540588 447123482 /nfs/dbraw/zinc/12/34/82/447123482.db2.gz QTCDWEUPFMJQRM-QFBILLFUSA-N 2 2 349.523 1.993 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCNC(=O)C[C@@H]3C)c2cc1C ZINC000375831085 447087914 /nfs/dbraw/zinc/08/79/14/447087914.db2.gz MIPLEFYLKVPNHD-GJZGRUSLSA-N 2 2 330.432 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCNC(=O)C[C@@H]3C)c2cc1C ZINC000375831085 447087920 /nfs/dbraw/zinc/08/79/20/447087920.db2.gz MIPLEFYLKVPNHD-GJZGRUSLSA-N 2 2 330.432 1.224 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000413244435 447090178 /nfs/dbraw/zinc/09/01/78/447090178.db2.gz FFZXARMDQBZLNE-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000413244435 447090185 /nfs/dbraw/zinc/09/01/85/447090185.db2.gz FFZXARMDQBZLNE-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000413244435 447090189 /nfs/dbraw/zinc/09/01/89/447090189.db2.gz FFZXARMDQBZLNE-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000413244435 447090197 /nfs/dbraw/zinc/09/01/97/447090197.db2.gz FFZXARMDQBZLNE-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000413244461 447090997 /nfs/dbraw/zinc/09/09/97/447090997.db2.gz FFZXARMDQBZLNE-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000413244461 447091006 /nfs/dbraw/zinc/09/10/06/447091006.db2.gz FFZXARMDQBZLNE-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000413244461 447091011 /nfs/dbraw/zinc/09/10/11/447091011.db2.gz FFZXARMDQBZLNE-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000413244461 447091015 /nfs/dbraw/zinc/09/10/15/447091015.db2.gz FFZXARMDQBZLNE-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP CC(C)[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C[C@H](O)CO ZINC000421407272 447153970 /nfs/dbraw/zinc/15/39/70/447153970.db2.gz ITRYVAPYNKFGKA-ZDUSSCGKSA-N 2 2 327.494 1.473 20 0 EDADLP CC(C)[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C[C@H](O)CO ZINC000421407272 447153975 /nfs/dbraw/zinc/15/39/75/447153975.db2.gz ITRYVAPYNKFGKA-ZDUSSCGKSA-N 2 2 327.494 1.473 20 0 EDADLP CC(C)[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C[C@H](O)CO ZINC000421407272 447153978 /nfs/dbraw/zinc/15/39/78/447153978.db2.gz ITRYVAPYNKFGKA-ZDUSSCGKSA-N 2 2 327.494 1.473 20 0 EDADLP CC(C)[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C[C@H](O)CO ZINC000421407272 447153984 /nfs/dbraw/zinc/15/39/84/447153984.db2.gz ITRYVAPYNKFGKA-ZDUSSCGKSA-N 2 2 327.494 1.473 20 0 EDADLP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425361216 447127082 /nfs/dbraw/zinc/12/70/82/447127082.db2.gz TZDSMIYPIJKBBE-ZDUSSCGKSA-N 2 2 340.431 1.374 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)CC1 ZINC000375901945 447132198 /nfs/dbraw/zinc/13/21/98/447132198.db2.gz DKHSWFIWRMSGQQ-INIZCTEOSA-N 2 2 333.505 1.996 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)CC1 ZINC000375901945 447132205 /nfs/dbraw/zinc/13/22/05/447132205.db2.gz DKHSWFIWRMSGQQ-INIZCTEOSA-N 2 2 333.505 1.996 20 0 EDADLP C[N@H+](CCCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000455599683 447179933 /nfs/dbraw/zinc/17/99/33/447179933.db2.gz AODLACINQANWIW-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP C[N@@H+](CCCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000455599683 447179943 /nfs/dbraw/zinc/17/99/43/447179943.db2.gz AODLACINQANWIW-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000377554777 447200589 /nfs/dbraw/zinc/20/05/89/447200589.db2.gz YUILHTCWELPYPZ-HNNXBMFYSA-N 2 2 333.480 1.042 20 0 EDADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000377554777 447200597 /nfs/dbraw/zinc/20/05/97/447200597.db2.gz YUILHTCWELPYPZ-HNNXBMFYSA-N 2 2 333.480 1.042 20 0 EDADLP Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000413527843 447205246 /nfs/dbraw/zinc/20/52/46/447205246.db2.gz BYYSHWFEJSHJNO-CQSZACIVSA-N 2 2 326.448 1.957 20 0 EDADLP Cc1nc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000413527843 447205259 /nfs/dbraw/zinc/20/52/59/447205259.db2.gz BYYSHWFEJSHJNO-CQSZACIVSA-N 2 2 326.448 1.957 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)s1 ZINC000375955762 447172654 /nfs/dbraw/zinc/17/26/54/447172654.db2.gz SQNSIGWNGGQBHI-JKSUJKDBSA-N 2 2 348.516 1.970 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)s1 ZINC000375955762 447172662 /nfs/dbraw/zinc/17/26/62/447172662.db2.gz SQNSIGWNGGQBHI-JKSUJKDBSA-N 2 2 348.516 1.970 20 0 EDADLP CON(C)C(=O)CC[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000377609518 447242402 /nfs/dbraw/zinc/24/24/02/447242402.db2.gz ZVIKPSKZNSMNPV-UHFFFAOYSA-N 2 2 349.479 1.055 20 0 EDADLP C[C@H]1C[C@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)C[N@@H+]1C1CC1 ZINC000372781292 447283814 /nfs/dbraw/zinc/28/38/14/447283814.db2.gz MXTTZEIWDAQNAB-BOLLXYOYSA-N 2 2 341.521 1.548 20 0 EDADLP C[C@H]1C[C@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)C[N@H+]1C1CC1 ZINC000372781292 447283817 /nfs/dbraw/zinc/28/38/17/447283817.db2.gz MXTTZEIWDAQNAB-BOLLXYOYSA-N 2 2 341.521 1.548 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@H]4OCCN(C)[C@H]4C3)c2cc1C ZINC000377676325 447287790 /nfs/dbraw/zinc/28/77/90/447287790.db2.gz PYFSOFNJGPROQM-ZYSHUDEJSA-N 2 2 344.459 1.029 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C ZINC000377689918 447297443 /nfs/dbraw/zinc/29/74/43/447297443.db2.gz FIHUBAQMBPNFCY-CRAIPNDOSA-N 2 2 327.432 1.666 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)CCC2 ZINC000376084624 447259414 /nfs/dbraw/zinc/25/94/14/447259414.db2.gz TXUHTDGJEUUATO-XHSDSOJGSA-N 2 2 349.479 1.165 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)CCC2 ZINC000376084624 447259423 /nfs/dbraw/zinc/25/94/23/447259423.db2.gz TXUHTDGJEUUATO-XHSDSOJGSA-N 2 2 349.479 1.165 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCO1 ZINC000376084762 447259675 /nfs/dbraw/zinc/25/96/75/447259675.db2.gz ULZOMRXOJITDPX-MRXNPFEDSA-N 2 2 348.447 1.355 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCO1 ZINC000376084762 447259681 /nfs/dbraw/zinc/25/96/81/447259681.db2.gz ULZOMRXOJITDPX-MRXNPFEDSA-N 2 2 348.447 1.355 20 0 EDADLP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCC1 ZINC000421822912 447261268 /nfs/dbraw/zinc/26/12/68/447261268.db2.gz BMEPYBWCGMMTTF-CVEARBPZSA-N 2 2 325.497 1.866 20 0 EDADLP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCC1 ZINC000421822912 447261271 /nfs/dbraw/zinc/26/12/71/447261271.db2.gz BMEPYBWCGMMTTF-CVEARBPZSA-N 2 2 325.497 1.866 20 0 EDADLP CO[C@@](C)([C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000414240727 447280410 /nfs/dbraw/zinc/28/04/10/447280410.db2.gz NSHPFRHHLFSHOI-LPHOPBHVSA-N 2 2 339.524 1.576 20 0 EDADLP CO[C@@](C)([C@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CC1 ZINC000414240727 447280413 /nfs/dbraw/zinc/28/04/13/447280413.db2.gz NSHPFRHHLFSHOI-LPHOPBHVSA-N 2 2 339.524 1.576 20 0 EDADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000380168656 447455567 /nfs/dbraw/zinc/45/55/67/447455567.db2.gz WJRGUZJSTKVJFK-CVEARBPZSA-N 2 2 342.528 1.905 20 0 EDADLP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000380168656 447455570 /nfs/dbraw/zinc/45/55/70/447455570.db2.gz WJRGUZJSTKVJFK-CVEARBPZSA-N 2 2 342.528 1.905 20 0 EDADLP CCc1cccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000450361286 447466871 /nfs/dbraw/zinc/46/68/71/447466871.db2.gz DYQWGLORTVKGBH-OAHLLOKOSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1cccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000450361286 447466875 /nfs/dbraw/zinc/46/68/75/447466875.db2.gz DYQWGLORTVKGBH-OAHLLOKOSA-N 2 2 330.476 1.885 20 0 EDADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415497476 447480827 /nfs/dbraw/zinc/48/08/27/447480827.db2.gz HUELTNITGBQLSG-INIZCTEOSA-N 2 2 343.431 1.643 20 0 EDADLP O=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000392460466 447523879 /nfs/dbraw/zinc/52/38/79/447523879.db2.gz CHXTXXMDRIKBMR-ZFWWWQNUSA-N 2 2 331.416 1.613 20 0 EDADLP O=C(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000392460466 447523884 /nfs/dbraw/zinc/52/38/84/447523884.db2.gz CHXTXXMDRIKBMR-ZFWWWQNUSA-N 2 2 331.416 1.613 20 0 EDADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000495068395 447474539 /nfs/dbraw/zinc/47/45/39/447474539.db2.gz RRAXQTJAJALPSJ-OWCLPIDISA-N 2 2 340.512 1.467 20 0 EDADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000495068395 447474546 /nfs/dbraw/zinc/47/45/46/447474546.db2.gz RRAXQTJAJALPSJ-OWCLPIDISA-N 2 2 340.512 1.467 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000457136236 447534125 /nfs/dbraw/zinc/53/41/25/447534125.db2.gz WQERMJWCBPWEFR-KRWDZBQOSA-N 2 2 345.491 1.145 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000457136236 447534133 /nfs/dbraw/zinc/53/41/33/447534133.db2.gz WQERMJWCBPWEFR-KRWDZBQOSA-N 2 2 345.491 1.145 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000398028099 447554564 /nfs/dbraw/zinc/55/45/64/447554564.db2.gz MMDJFDGTMJZSAK-RLLQIKCJSA-N 3 2 349.519 1.426 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000398028099 447554566 /nfs/dbraw/zinc/55/45/66/447554566.db2.gz MMDJFDGTMJZSAK-RLLQIKCJSA-N 3 2 349.519 1.426 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398028099 447554571 /nfs/dbraw/zinc/55/45/71/447554571.db2.gz MMDJFDGTMJZSAK-RLLQIKCJSA-N 3 2 349.519 1.426 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398028099 447554575 /nfs/dbraw/zinc/55/45/75/447554575.db2.gz MMDJFDGTMJZSAK-RLLQIKCJSA-N 3 2 349.519 1.426 20 0 EDADLP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000459374507 447648730 /nfs/dbraw/zinc/64/87/30/447648730.db2.gz OKRYEMMMEOYLSX-GDBMZVCRSA-N 2 2 325.888 1.494 20 0 EDADLP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000459374507 447648734 /nfs/dbraw/zinc/64/87/34/447648734.db2.gz OKRYEMMMEOYLSX-GDBMZVCRSA-N 2 2 325.888 1.494 20 0 EDADLP O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000457553524 447595046 /nfs/dbraw/zinc/59/50/46/447595046.db2.gz IZWCOKYQIOGWDU-IBGZPJMESA-N 2 2 349.519 1.964 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000459300152 447632994 /nfs/dbraw/zinc/63/29/94/447632994.db2.gz VERJEAMDLANPKZ-UHFFFAOYSA-N 2 2 330.407 1.950 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000459300152 447633003 /nfs/dbraw/zinc/63/30/03/447633003.db2.gz VERJEAMDLANPKZ-UHFFFAOYSA-N 2 2 330.407 1.950 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000420171691 447653381 /nfs/dbraw/zinc/65/33/81/447653381.db2.gz UIWRSJOXRLMCIZ-HNNXBMFYSA-N 2 2 347.463 1.010 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000420171691 447653384 /nfs/dbraw/zinc/65/33/84/447653384.db2.gz UIWRSJOXRLMCIZ-HNNXBMFYSA-N 2 2 347.463 1.010 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416914445 447707498 /nfs/dbraw/zinc/70/74/98/447707498.db2.gz GXEFBALTMXSCOU-IUODEOHRSA-N 2 2 331.395 1.652 20 0 EDADLP Cc1nnc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)[nH]1 ZINC000428207911 447685181 /nfs/dbraw/zinc/68/51/81/447685181.db2.gz BTFMUOOAWMVEDK-UHFFFAOYSA-N 2 2 336.484 1.029 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416952148 447723880 /nfs/dbraw/zinc/72/38/80/447723880.db2.gz JHKXADUQRSOQMB-OAHLLOKOSA-N 2 2 329.448 1.771 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417259946 447739052 /nfs/dbraw/zinc/73/90/52/447739052.db2.gz ZQSMJFLEKJRMCX-BARDWOONSA-N 2 2 346.466 1.897 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417259946 447739055 /nfs/dbraw/zinc/73/90/55/447739055.db2.gz ZQSMJFLEKJRMCX-BARDWOONSA-N 2 2 346.466 1.897 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)N2CCOCC2)cc1 ZINC000422756543 447740318 /nfs/dbraw/zinc/74/03/18/447740318.db2.gz IZQNVIWCKWUAOV-IPELMVKDSA-N 2 2 333.476 1.799 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000458256278 447755750 /nfs/dbraw/zinc/75/57/50/447755750.db2.gz BNTOWGJLIABDEA-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000458256278 447755755 /nfs/dbraw/zinc/75/57/55/447755755.db2.gz BNTOWGJLIABDEA-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC1(C)COC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000451832941 447757493 /nfs/dbraw/zinc/75/74/93/447757493.db2.gz YSKYOFBUAPBJEH-OAHLLOKOSA-N 2 2 337.489 1.407 20 0 EDADLP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422829330 447762621 /nfs/dbraw/zinc/76/26/21/447762621.db2.gz HHKCLNSYUKLBGA-OALUTQOASA-N 2 2 326.444 1.788 20 0 EDADLP COc1ccc([C@H]([NH2+]CCNc2cnccn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422889702 447770659 /nfs/dbraw/zinc/77/06/59/447770659.db2.gz QFPHYKODRKOMTR-WMZOPIPTSA-N 2 2 327.432 1.980 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000422916554 447772226 /nfs/dbraw/zinc/77/22/26/447772226.db2.gz DMLUXDKWYIDSTM-GJZGRUSLSA-N 2 2 333.432 1.159 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430542535 447775374 /nfs/dbraw/zinc/77/53/74/447775374.db2.gz KTAVYAMNRCBHDX-CABCVRRESA-N 2 2 327.428 1.889 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430542535 447775378 /nfs/dbraw/zinc/77/53/78/447775378.db2.gz KTAVYAMNRCBHDX-CABCVRRESA-N 2 2 327.428 1.889 20 0 EDADLP CC(C)NS(=O)(=O)CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422949000 447778995 /nfs/dbraw/zinc/77/89/95/447778995.db2.gz TZOSZNLQZJIVGP-JKSUJKDBSA-N 2 2 325.478 1.397 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000430558706 447779045 /nfs/dbraw/zinc/77/90/45/447779045.db2.gz QYKCPFDUPZSLKI-PKOBYXMFSA-N 2 2 346.519 1.934 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000430558706 447779049 /nfs/dbraw/zinc/77/90/49/447779049.db2.gz QYKCPFDUPZSLKI-PKOBYXMFSA-N 2 2 346.519 1.934 20 0 EDADLP O=C(NCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000422958596 447780987 /nfs/dbraw/zinc/78/09/87/447780987.db2.gz POKIMHJRALWEDA-SJORKVTESA-N 2 2 335.423 1.302 20 0 EDADLP O=C(CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1Cc2ccccc2C1 ZINC000422960127 447781342 /nfs/dbraw/zinc/78/13/42/447781342.db2.gz VFLSDRNIPXEICJ-QUCCMNQESA-N 2 2 343.471 1.666 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)CC2 ZINC000430594736 447782427 /nfs/dbraw/zinc/78/24/27/447782427.db2.gz VZDGNVFVWGOHNR-IBGZPJMESA-N 2 2 347.459 1.306 20 0 EDADLP COC(=O)COc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422983672 447787135 /nfs/dbraw/zinc/78/71/35/447787135.db2.gz UMOOGOIBCMQHLE-AEFFLSMTSA-N 2 2 334.416 1.095 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000430971445 447789087 /nfs/dbraw/zinc/78/90/87/447789087.db2.gz NEHDJBNECSIZEH-SWLSCSKDSA-N 2 2 341.402 1.916 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000430971445 447789091 /nfs/dbraw/zinc/78/90/91/447789091.db2.gz NEHDJBNECSIZEH-SWLSCSKDSA-N 2 2 341.402 1.916 20 0 EDADLP COC[C@@]1(CO)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451936015 447791088 /nfs/dbraw/zinc/79/10/88/447791088.db2.gz SJUZUMNZWMDYDU-PMACEKPBSA-N 2 2 348.487 1.608 20 0 EDADLP COC[C@@]1(CO)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451936015 447791091 /nfs/dbraw/zinc/79/10/91/447791091.db2.gz SJUZUMNZWMDYDU-PMACEKPBSA-N 2 2 348.487 1.608 20 0 EDADLP COC[C@@]1(CO)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936015 447791095 /nfs/dbraw/zinc/79/10/95/447791095.db2.gz SJUZUMNZWMDYDU-PMACEKPBSA-N 2 2 348.487 1.608 20 0 EDADLP Cc1nc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000489941497 447880953 /nfs/dbraw/zinc/88/09/53/447880953.db2.gz BVDHKKHZEKWKSR-VNHYZAJKSA-N 2 2 334.468 1.324 20 0 EDADLP Cc1nc(N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000489941497 447880960 /nfs/dbraw/zinc/88/09/60/447880960.db2.gz BVDHKKHZEKWKSR-VNHYZAJKSA-N 2 2 334.468 1.324 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523463112 447887982 /nfs/dbraw/zinc/88/79/82/447887982.db2.gz MNMKHOIARJXVQS-CQSZACIVSA-N 2 2 343.427 1.966 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCC[N@H+]1CCO[C@H](C)C1 ZINC000523463112 447887987 /nfs/dbraw/zinc/88/79/87/447887987.db2.gz MNMKHOIARJXVQS-CQSZACIVSA-N 2 2 343.427 1.966 20 0 EDADLP Cc1cc(N2CCC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)nc(C)[nH+]1 ZINC000575795063 447898421 /nfs/dbraw/zinc/89/84/21/447898421.db2.gz HGNNOWAMWTVZKK-IEBWSBKVSA-N 3 2 345.491 1.419 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000523712828 447903119 /nfs/dbraw/zinc/90/31/19/447903119.db2.gz VSDWHNPNLYDQPH-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000523712828 447903123 /nfs/dbraw/zinc/90/31/23/447903123.db2.gz VSDWHNPNLYDQPH-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000523712828 447903125 /nfs/dbraw/zinc/90/31/25/447903125.db2.gz VSDWHNPNLYDQPH-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000523712828 447903128 /nfs/dbraw/zinc/90/31/28/447903128.db2.gz VSDWHNPNLYDQPH-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570114059 447948773 /nfs/dbraw/zinc/94/87/73/447948773.db2.gz ZFFUAXNQMBLWDW-CYBMUJFWSA-N 2 2 333.461 1.341 20 0 EDADLP Cc1cnn(-c2ccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc2F)c1 ZINC000576010327 447951217 /nfs/dbraw/zinc/95/12/17/447951217.db2.gz HWHKVCGQBSFBLR-CQSZACIVSA-N 2 2 346.410 1.426 20 0 EDADLP Cc1cnn(-c2ccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc2F)c1 ZINC000576010327 447951224 /nfs/dbraw/zinc/95/12/24/447951224.db2.gz HWHKVCGQBSFBLR-CQSZACIVSA-N 2 2 346.410 1.426 20 0 EDADLP CO[C@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1(C)C ZINC000497173171 447921408 /nfs/dbraw/zinc/92/14/08/447921408.db2.gz RIGZSJKEJLMEBA-MAUKXSAKSA-N 2 2 337.464 1.607 20 0 EDADLP CO[C@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1(C)C ZINC000497173171 447921410 /nfs/dbraw/zinc/92/14/10/447921410.db2.gz RIGZSJKEJLMEBA-MAUKXSAKSA-N 2 2 337.464 1.607 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000569943233 447924878 /nfs/dbraw/zinc/92/48/78/447924878.db2.gz LLURDPMHERHMPB-INIZCTEOSA-N 2 2 333.476 1.979 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000569943233 447924886 /nfs/dbraw/zinc/92/48/86/447924886.db2.gz LLURDPMHERHMPB-INIZCTEOSA-N 2 2 333.476 1.979 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000569957132 447927963 /nfs/dbraw/zinc/92/79/63/447927963.db2.gz MFXLYVQWZGLAMO-INMHGKMJSA-N 2 2 334.464 1.163 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1C ZINC000524618104 447937630 /nfs/dbraw/zinc/93/76/30/447937630.db2.gz OIMIKMQYSVOUAX-KBPBESRZSA-N 2 2 328.420 1.607 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1C ZINC000524618104 447937631 /nfs/dbraw/zinc/93/76/31/447937631.db2.gz OIMIKMQYSVOUAX-KBPBESRZSA-N 2 2 328.420 1.607 20 0 EDADLP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000570322535 447985644 /nfs/dbraw/zinc/98/56/44/447985644.db2.gz JQPAIARCVOHXPZ-ZWOKBUDYSA-N 3 2 349.519 1.698 20 0 EDADLP CC1(C)C[NH+](CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000570223049 447966851 /nfs/dbraw/zinc/96/68/51/447966851.db2.gz LBPOHRNJHUOSBM-UHFFFAOYSA-N 2 2 331.460 1.477 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C1CC1 ZINC000497292089 448046720 /nfs/dbraw/zinc/04/67/20/448046720.db2.gz HBDKFANGKIXZFO-IJEWVQPXSA-N 2 2 339.480 1.240 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C1CC1 ZINC000497292089 448046729 /nfs/dbraw/zinc/04/67/29/448046729.db2.gz HBDKFANGKIXZFO-IJEWVQPXSA-N 2 2 339.480 1.240 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C1CC1 ZINC000497292089 448046734 /nfs/dbraw/zinc/04/67/34/448046734.db2.gz HBDKFANGKIXZFO-IJEWVQPXSA-N 2 2 339.480 1.240 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C1CC1 ZINC000497292089 448046741 /nfs/dbraw/zinc/04/67/41/448046741.db2.gz HBDKFANGKIXZFO-IJEWVQPXSA-N 2 2 339.480 1.240 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496945471 448060292 /nfs/dbraw/zinc/06/02/92/448060292.db2.gz AOQUDCCEQMPFAO-OAHLLOKOSA-N 2 2 329.485 1.677 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000576526831 448075795 /nfs/dbraw/zinc/07/57/95/448075795.db2.gz JMNJLFWGKOAEHG-SMDDNHRTSA-N 2 2 325.840 1.776 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000576526831 448075797 /nfs/dbraw/zinc/07/57/97/448075797.db2.gz JMNJLFWGKOAEHG-SMDDNHRTSA-N 2 2 325.840 1.776 20 0 EDADLP CC[C@@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000503766374 448107644 /nfs/dbraw/zinc/10/76/44/448107644.db2.gz VZTJYGZBEGBARJ-QAETUUGQSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C)[N@H+]1CCO[C@@H](CC)C1 ZINC000503766374 448107649 /nfs/dbraw/zinc/10/76/49/448107649.db2.gz VZTJYGZBEGBARJ-QAETUUGQSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C)[NH+]1CCO[C@@H](CC)C1 ZINC000503766374 448107653 /nfs/dbraw/zinc/10/76/53/448107653.db2.gz VZTJYGZBEGBARJ-QAETUUGQSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C)[NH+]1CCO[C@@H](CC)C1 ZINC000503766374 448107660 /nfs/dbraw/zinc/10/76/60/448107660.db2.gz VZTJYGZBEGBARJ-QAETUUGQSA-N 2 2 341.496 1.053 20 0 EDADLP C[C@H](C[NH2+]CCS(=O)(=O)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000576748048 448130261 /nfs/dbraw/zinc/13/02/61/448130261.db2.gz FBDKYRPGOAGKBV-CQSZACIVSA-N 2 2 328.453 1.921 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)/C=C\C[NH+](C)C)cc1 ZINC000491884712 448144370 /nfs/dbraw/zinc/14/43/70/448144370.db2.gz NAJGYWFQRTZFQX-PYTPGESOSA-N 2 2 331.460 1.602 20 0 EDADLP CC[NH+]1CCN(CCCNc2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000556731073 448149957 /nfs/dbraw/zinc/14/99/57/448149957.db2.gz DVAATJRBJGBTPN-UHFFFAOYSA-N 2 2 329.492 2.282 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3(O)CC[NH+](C(C)C)CC3)ccn12 ZINC000582429581 448237286 /nfs/dbraw/zinc/23/72/86/448237286.db2.gz YBMQBWFBSDJTQH-UHFFFAOYSA-N 2 2 330.432 1.608 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000582428442 448237397 /nfs/dbraw/zinc/23/73/97/448237397.db2.gz NSUAXYBAQBGFST-KGLIPLIRSA-N 2 2 347.381 1.866 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000582428442 448237402 /nfs/dbraw/zinc/23/74/02/448237402.db2.gz NSUAXYBAQBGFST-KGLIPLIRSA-N 2 2 347.381 1.866 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000582428442 448237404 /nfs/dbraw/zinc/23/74/04/448237404.db2.gz NSUAXYBAQBGFST-KGLIPLIRSA-N 2 2 347.381 1.866 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000582428442 448237407 /nfs/dbraw/zinc/23/74/07/448237407.db2.gz NSUAXYBAQBGFST-KGLIPLIRSA-N 2 2 347.381 1.866 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000577140725 448217860 /nfs/dbraw/zinc/21/78/60/448217860.db2.gz JOALZUYHPAZMDU-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000577140725 448217864 /nfs/dbraw/zinc/21/78/64/448217864.db2.gz JOALZUYHPAZMDU-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000571861006 448219253 /nfs/dbraw/zinc/21/92/53/448219253.db2.gz OOLJKACGIIVVNV-QGZVFWFLSA-N 2 2 334.464 1.585 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000571861006 448219257 /nfs/dbraw/zinc/21/92/57/448219257.db2.gz OOLJKACGIIVVNV-QGZVFWFLSA-N 2 2 334.464 1.585 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCO1 ZINC000577239384 448246035 /nfs/dbraw/zinc/24/60/35/448246035.db2.gz QCYVTXRPYCUESY-HNNXBMFYSA-N 2 2 344.419 1.121 20 0 EDADLP CC(=O)N1CCCc2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc21 ZINC000577363522 448275367 /nfs/dbraw/zinc/27/53/67/448275367.db2.gz OLHWNYJIJOYHTJ-INIZCTEOSA-N 2 2 345.447 1.092 20 0 EDADLP CC(=O)N1CCCc2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc21 ZINC000577363522 448275373 /nfs/dbraw/zinc/27/53/73/448275373.db2.gz OLHWNYJIJOYHTJ-INIZCTEOSA-N 2 2 345.447 1.092 20 0 EDADLP Cc1noc([C@@H](C)N(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000572012824 448262793 /nfs/dbraw/zinc/26/27/93/448262793.db2.gz WSDJYMMXMPSRQO-GFCCVEGCSA-N 2 2 338.456 1.106 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000577529858 448322636 /nfs/dbraw/zinc/32/26/36/448322636.db2.gz ZFOPFVWNCFLMJS-IBGZPJMESA-N 2 2 345.487 1.728 20 0 EDADLP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577384130 448283456 /nfs/dbraw/zinc/28/34/56/448283456.db2.gz RFYLIPMBTQCGFD-INIZCTEOSA-N 2 2 341.459 1.588 20 0 EDADLP CNc1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]c2ccccc21 ZINC000572352676 448352850 /nfs/dbraw/zinc/35/28/50/448352850.db2.gz TUSPWUZGCQSMTJ-CQSZACIVSA-N 2 2 341.459 1.428 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000533313162 448384638 /nfs/dbraw/zinc/38/46/38/448384638.db2.gz OKXRHZXIISNNKN-OAHLLOKOSA-N 2 2 342.447 1.760 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000533313162 448384644 /nfs/dbraw/zinc/38/46/44/448384644.db2.gz OKXRHZXIISNNKN-OAHLLOKOSA-N 2 2 342.447 1.760 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1)c1ccccc1 ZINC000572480320 448389673 /nfs/dbraw/zinc/38/96/73/448389673.db2.gz GRIQONDFYDZGGU-RTBURBONSA-N 2 2 345.487 1.906 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1)c1ccccc1 ZINC000572480320 448389678 /nfs/dbraw/zinc/38/96/78/448389678.db2.gz GRIQONDFYDZGGU-RTBURBONSA-N 2 2 345.487 1.906 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000533708144 448420586 /nfs/dbraw/zinc/42/05/86/448420586.db2.gz PHCBFTIVJASKMU-CYBMUJFWSA-N 2 2 338.415 1.761 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866437 448425907 /nfs/dbraw/zinc/42/59/07/448425907.db2.gz GDOAGPCGJSDZLJ-GXTWGEPZSA-N 2 2 341.415 1.336 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866437 448425923 /nfs/dbraw/zinc/42/59/23/448425923.db2.gz GDOAGPCGJSDZLJ-GXTWGEPZSA-N 2 2 341.415 1.336 20 0 EDADLP Cn1c[nH+]cc1CCC[N@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000572659857 448432515 /nfs/dbraw/zinc/43/25/15/448432515.db2.gz RUBXUUDHYXFYEU-HZPDHXFCSA-N 2 2 341.477 1.021 20 0 EDADLP Cn1c[nH+]cc1CCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000572659857 448432519 /nfs/dbraw/zinc/43/25/19/448432519.db2.gz RUBXUUDHYXFYEU-HZPDHXFCSA-N 2 2 341.477 1.021 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566292062 448436172 /nfs/dbraw/zinc/43/61/72/448436172.db2.gz NWWXXCMUUCKUKS-CABCVRRESA-N 2 2 332.448 1.157 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566292062 448436174 /nfs/dbraw/zinc/43/61/74/448436174.db2.gz NWWXXCMUUCKUKS-CABCVRRESA-N 2 2 332.448 1.157 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000583575935 448439230 /nfs/dbraw/zinc/43/92/30/448439230.db2.gz XATJZRJTRADTRH-CQSZACIVSA-N 2 2 345.472 2.097 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000583575935 448439238 /nfs/dbraw/zinc/43/92/38/448439238.db2.gz XATJZRJTRADTRH-CQSZACIVSA-N 2 2 345.472 2.097 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000572719586 448448050 /nfs/dbraw/zinc/44/80/50/448448050.db2.gz DBHVSZRLBRCZHL-NSHDSACASA-N 2 2 331.338 1.186 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000572719586 448448054 /nfs/dbraw/zinc/44/80/54/448448054.db2.gz DBHVSZRLBRCZHL-NSHDSACASA-N 2 2 331.338 1.186 20 0 EDADLP COc1cc(Cl)ccc1C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578186814 448478310 /nfs/dbraw/zinc/47/83/10/448478310.db2.gz CLTCEULJHUNSOI-ZENOOKHLSA-N 2 2 342.867 1.908 20 0 EDADLP COc1cc(Cl)ccc1C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578186814 448478319 /nfs/dbraw/zinc/47/83/19/448478319.db2.gz CLTCEULJHUNSOI-ZENOOKHLSA-N 2 2 342.867 1.908 20 0 EDADLP Cc1cc(Br)ccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566491316 448492314 /nfs/dbraw/zinc/49/23/14/448492314.db2.gz QMAZZPHAEFQRRW-ZIAGYGMSSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1cc(Br)ccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566491316 448492317 /nfs/dbraw/zinc/49/23/17/448492317.db2.gz QMAZZPHAEFQRRW-ZIAGYGMSSA-N 2 2 338.249 1.501 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc2c(c1)CCCC2 ZINC000584399957 448510478 /nfs/dbraw/zinc/51/04/78/448510478.db2.gz LZZGRCSQKHPIJG-RDTXWAMCSA-N 2 2 330.476 1.911 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc2c(c1)CCCC2 ZINC000584399957 448510484 /nfs/dbraw/zinc/51/04/84/448510484.db2.gz LZZGRCSQKHPIJG-RDTXWAMCSA-N 2 2 330.476 1.911 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000516929515 448501135 /nfs/dbraw/zinc/50/11/35/448501135.db2.gz CNOXOHUHYCUGBH-IYOUNJFTSA-N 2 2 332.448 1.454 20 0 EDADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000517225278 448556252 /nfs/dbraw/zinc/55/62/52/448556252.db2.gz SXKVFUCINHNIME-DLBZAZTESA-N 3 2 333.480 1.094 20 0 EDADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000517225278 448556255 /nfs/dbraw/zinc/55/62/55/448556255.db2.gz SXKVFUCINHNIME-DLBZAZTESA-N 3 2 333.480 1.094 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573200142 448565822 /nfs/dbraw/zinc/56/58/22/448565822.db2.gz YTYBYURKEFWEMK-XSYGEPLQSA-N 2 2 349.519 1.567 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573200142 448565828 /nfs/dbraw/zinc/56/58/28/448565828.db2.gz YTYBYURKEFWEMK-XSYGEPLQSA-N 2 2 349.519 1.567 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573200142 448565834 /nfs/dbraw/zinc/56/58/34/448565834.db2.gz YTYBYURKEFWEMK-XSYGEPLQSA-N 2 2 349.519 1.567 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573200142 448565839 /nfs/dbraw/zinc/56/58/39/448565839.db2.gz YTYBYURKEFWEMK-XSYGEPLQSA-N 2 2 349.519 1.567 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000573206474 448568612 /nfs/dbraw/zinc/56/86/12/448568612.db2.gz AYDFNLASTZTIPR-CABCVRRESA-N 2 2 326.412 1.002 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000573206474 448568619 /nfs/dbraw/zinc/56/86/19/448568619.db2.gz AYDFNLASTZTIPR-CABCVRRESA-N 2 2 326.412 1.002 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000578537110 448574976 /nfs/dbraw/zinc/57/49/76/448574976.db2.gz VYWAUTMCGDKGCY-ZTFGCOKTSA-N 2 2 346.475 1.330 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000584463850 448536202 /nfs/dbraw/zinc/53/62/02/448536202.db2.gz KQEOQSDIUWHDKX-MSOLQXFVSA-N 2 2 331.460 1.779 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000536847881 448544683 /nfs/dbraw/zinc/54/46/83/448544683.db2.gz VXHXRBWGEHZYNO-MLGOLLRUSA-N 2 2 327.494 1.015 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000536847881 448544687 /nfs/dbraw/zinc/54/46/87/448544687.db2.gz VXHXRBWGEHZYNO-MLGOLLRUSA-N 2 2 327.494 1.015 20 0 EDADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528492444 448553586 /nfs/dbraw/zinc/55/35/86/448553586.db2.gz TYTTYYGPWSOWSI-HKUYNNGSSA-N 2 2 349.519 1.964 20 0 EDADLP O=C1[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528492444 448553590 /nfs/dbraw/zinc/55/35/90/448553590.db2.gz TYTTYYGPWSOWSI-HKUYNNGSSA-N 2 2 349.519 1.964 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000578665841 448608658 /nfs/dbraw/zinc/60/86/58/448608658.db2.gz QWNGIPSWGGCMNJ-OAHLLOKOSA-N 2 2 343.475 1.646 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000578665841 448608662 /nfs/dbraw/zinc/60/86/62/448608662.db2.gz QWNGIPSWGGCMNJ-OAHLLOKOSA-N 2 2 343.475 1.646 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584728019 448612489 /nfs/dbraw/zinc/61/24/89/448612489.db2.gz XHQCVQNDGNBLNS-WMZOPIPTSA-N 3 2 330.476 1.142 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584728019 448612495 /nfs/dbraw/zinc/61/24/95/448612495.db2.gz XHQCVQNDGNBLNS-WMZOPIPTSA-N 3 2 330.476 1.142 20 0 EDADLP O=C1NCCC[C@@H]1C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000573302700 448589963 /nfs/dbraw/zinc/58/99/63/448589963.db2.gz YQCOOSHKQHVFAW-HZPDHXFCSA-N 2 2 344.459 1.661 20 0 EDADLP O=C1NCCC[C@@H]1C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000573302700 448589970 /nfs/dbraw/zinc/58/99/70/448589970.db2.gz YQCOOSHKQHVFAW-HZPDHXFCSA-N 2 2 344.459 1.661 20 0 EDADLP Cc1[nH]nc2ncc(C[NH+]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cc12 ZINC000538761410 448594537 /nfs/dbraw/zinc/59/45/37/448594537.db2.gz BYUGFPOJMSZHRV-INIZCTEOSA-N 2 2 342.447 1.005 20 0 EDADLP Cc1[nH]nc2ncc(C[NH+]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc12 ZINC000538761410 448594542 /nfs/dbraw/zinc/59/45/42/448594542.db2.gz BYUGFPOJMSZHRV-INIZCTEOSA-N 2 2 342.447 1.005 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000573494960 448641767 /nfs/dbraw/zinc/64/17/67/448641767.db2.gz FNTULGFUZMGRRB-QGZVFWFLSA-N 2 2 341.459 1.821 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000573494960 448641773 /nfs/dbraw/zinc/64/17/73/448641773.db2.gz FNTULGFUZMGRRB-QGZVFWFLSA-N 2 2 341.459 1.821 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)COC2CCC([NH3+])CC2)c[nH+]1 ZINC000573603054 448669650 /nfs/dbraw/zinc/66/96/50/448669650.db2.gz YILJLUDGNNSOSQ-UHFFFAOYSA-N 2 2 334.464 1.831 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000541535769 448678569 /nfs/dbraw/zinc/67/85/69/448678569.db2.gz KPHDBPUWWMEAKC-UHFFFAOYSA-N 2 2 337.431 1.631 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCC[N@H+](CCCN2CCCC2=O)CC1 ZINC000518491372 448684290 /nfs/dbraw/zinc/68/42/90/448684290.db2.gz PULDUEPTOXAXLT-UHFFFAOYSA-N 2 2 347.507 1.984 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCC[N@@H+](CCCN2CCCC2=O)CC1 ZINC000518491372 448684293 /nfs/dbraw/zinc/68/42/93/448684293.db2.gz PULDUEPTOXAXLT-UHFFFAOYSA-N 2 2 347.507 1.984 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCN(C(C)C)C3=O)c2cc1C ZINC000518965520 448726112 /nfs/dbraw/zinc/72/61/12/448726112.db2.gz QRKOPYZDRFGNFA-HZPDHXFCSA-N 2 2 344.459 1.613 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)COC1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000573913259 448743834 /nfs/dbraw/zinc/74/38/34/448743834.db2.gz BMQHDLRBHVVTOY-AEFFLSMTSA-N 2 2 336.476 1.653 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)COC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000573913259 448743838 /nfs/dbraw/zinc/74/38/38/448743838.db2.gz BMQHDLRBHVVTOY-AEFFLSMTSA-N 2 2 336.476 1.653 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000545302762 448788277 /nfs/dbraw/zinc/78/82/77/448788277.db2.gz KMMVTRNPSOCFCF-LSDHHAIUSA-N 2 2 329.444 1.993 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000545302762 448788281 /nfs/dbraw/zinc/78/82/81/448788281.db2.gz KMMVTRNPSOCFCF-LSDHHAIUSA-N 2 2 329.444 1.993 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)cc(OC)c1 ZINC000574274309 448832922 /nfs/dbraw/zinc/83/29/22/448832922.db2.gz CUVVMLYVAQXLLM-RDTXWAMCSA-N 2 2 347.459 1.346 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCCC[N@@H+]3CCO)c(C)n2n1 ZINC000574272519 448833085 /nfs/dbraw/zinc/83/30/85/448833085.db2.gz KYSYOMJJNQZCOJ-GOEBONIOSA-N 2 2 331.464 1.844 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCCC[N@H+]3CCO)c(C)n2n1 ZINC000574272519 448833092 /nfs/dbraw/zinc/83/30/92/448833092.db2.gz KYSYOMJJNQZCOJ-GOEBONIOSA-N 2 2 331.464 1.844 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000529365702 448842519 /nfs/dbraw/zinc/84/25/19/448842519.db2.gz HIGGZFAPPPEPDM-LSDHHAIUSA-N 2 2 346.479 1.714 20 0 EDADLP Cn1c[nH+]cc1CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000547339660 448870786 /nfs/dbraw/zinc/87/07/86/448870786.db2.gz GBQIZSJTURLZHH-SFHVURJKSA-N 2 2 339.399 1.117 20 0 EDADLP Cn1c[nH+]cc1CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000547339660 448870791 /nfs/dbraw/zinc/87/07/91/448870791.db2.gz GBQIZSJTURLZHH-SFHVURJKSA-N 2 2 339.399 1.117 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C[NH3+])C3)n2)c(OC)c1 ZINC000574453054 448877308 /nfs/dbraw/zinc/87/73/08/448877308.db2.gz UCMSWYJJCQYDSQ-GFCCVEGCSA-N 2 2 332.404 1.925 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C[NH3+])C3)n2)c(OC)c1 ZINC000574453054 448877310 /nfs/dbraw/zinc/87/73/10/448877310.db2.gz UCMSWYJJCQYDSQ-GFCCVEGCSA-N 2 2 332.404 1.925 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC[C@H]1[NH3+] ZINC000592488288 448859597 /nfs/dbraw/zinc/85/95/97/448859597.db2.gz JHUCBUARWFRILB-OUCADQQQSA-N 2 2 336.411 1.922 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC[C@H]1[NH3+] ZINC000592488288 448859599 /nfs/dbraw/zinc/85/95/99/448859599.db2.gz JHUCBUARWFRILB-OUCADQQQSA-N 2 2 336.411 1.922 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)NCCNc1ccc2ccccc2[nH+]1 ZINC000580743333 448956657 /nfs/dbraw/zinc/95/66/57/448956657.db2.gz OXWXWXIBEDFFBS-UHFFFAOYSA-N 2 2 349.438 2.538 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1-n1cccn1 ZINC000521216858 448963220 /nfs/dbraw/zinc/96/32/20/448963220.db2.gz MRDWGSNVJHWAFJ-LSDHHAIUSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1-n1cccn1 ZINC000521216858 448963223 /nfs/dbraw/zinc/96/32/23/448963223.db2.gz MRDWGSNVJHWAFJ-LSDHHAIUSA-N 2 2 342.447 1.218 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)nnn3C)CCO1 ZINC000548020951 448967752 /nfs/dbraw/zinc/96/77/52/448967752.db2.gz GZZCUEODFYTJOC-CXAGYDPISA-N 2 2 326.404 1.712 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)CCN2C1=O ZINC000569237514 448987895 /nfs/dbraw/zinc/98/78/95/448987895.db2.gz LGOIQZXNHPRPDE-HUUCEWRRSA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)CCN2C1=O ZINC000569237514 448987896 /nfs/dbraw/zinc/98/78/96/448987896.db2.gz LGOIQZXNHPRPDE-HUUCEWRRSA-N 2 2 346.818 1.739 20 0 EDADLP CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000589162391 448979681 /nfs/dbraw/zinc/97/96/81/448979681.db2.gz UGRYDHGLVLIRMB-CYBMUJFWSA-N 2 2 338.477 1.266 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000589162391 448979683 /nfs/dbraw/zinc/97/96/83/448979683.db2.gz UGRYDHGLVLIRMB-CYBMUJFWSA-N 2 2 338.477 1.266 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000589162391 448979687 /nfs/dbraw/zinc/97/96/87/448979687.db2.gz UGRYDHGLVLIRMB-CYBMUJFWSA-N 2 2 338.477 1.266 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000589162391 448979689 /nfs/dbraw/zinc/97/96/89/448979689.db2.gz UGRYDHGLVLIRMB-CYBMUJFWSA-N 2 2 338.477 1.266 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000569217609 448981933 /nfs/dbraw/zinc/98/19/33/448981933.db2.gz JOXIBRBWDGLBRF-KRWDZBQOSA-N 2 2 327.432 1.073 20 0 EDADLP CCN1CC[NH+](CCC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000589185949 448985724 /nfs/dbraw/zinc/98/57/24/448985724.db2.gz MCRTVPUFCMROLN-UHFFFAOYSA-N 2 2 328.420 1.233 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCC3(O)CCOCC3)c2cc1C ZINC000582117686 449014717 /nfs/dbraw/zinc/01/47/17/449014717.db2.gz BDQNQCURXAKGEP-MRXNPFEDSA-N 2 2 347.459 1.535 20 0 EDADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c21 ZINC000592956502 449076818 /nfs/dbraw/zinc/07/68/18/449076818.db2.gz VTYWDWQGNGLBQG-AWEZNQCLSA-N 2 2 340.431 1.077 20 0 EDADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCCNc3cccc[nH+]3)c21 ZINC000592957266 449078524 /nfs/dbraw/zinc/07/85/24/449078524.db2.gz NSLWLJKUUJSAEN-ZDUSSCGKSA-N 2 2 328.420 1.346 20 0 EDADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000582234685 449043190 /nfs/dbraw/zinc/04/31/90/449043190.db2.gz HOWWOOKOGDCCGH-FHWLQOOXSA-N 2 2 343.471 1.605 20 0 EDADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000582234685 449043194 /nfs/dbraw/zinc/04/31/94/449043194.db2.gz HOWWOOKOGDCCGH-FHWLQOOXSA-N 2 2 343.471 1.605 20 0 EDADLP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000530217064 449084519 /nfs/dbraw/zinc/08/45/19/449084519.db2.gz DWTDSIZXNNKOSE-ZWKOTPCHSA-N 2 2 349.450 1.279 20 0 EDADLP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000530217064 449084522 /nfs/dbraw/zinc/08/45/22/449084522.db2.gz DWTDSIZXNNKOSE-ZWKOTPCHSA-N 2 2 349.450 1.279 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)CC12CCOCC2 ZINC000575401815 449089791 /nfs/dbraw/zinc/08/97/91/449089791.db2.gz OHNJPCWYTMZTTN-HNNXBMFYSA-N 2 2 328.416 1.924 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)CC12CCOCC2 ZINC000575401815 449089798 /nfs/dbraw/zinc/08/97/98/449089798.db2.gz OHNJPCWYTMZTTN-HNNXBMFYSA-N 2 2 328.416 1.924 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000593730826 449165606 /nfs/dbraw/zinc/16/56/06/449165606.db2.gz HYFVADSAJKHICZ-UGSOOPFHSA-N 2 2 333.432 1.662 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000593730826 449165608 /nfs/dbraw/zinc/16/56/08/449165608.db2.gz HYFVADSAJKHICZ-UGSOOPFHSA-N 2 2 333.432 1.662 20 0 EDADLP COCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604207725 449192341 /nfs/dbraw/zinc/19/23/41/449192341.db2.gz BHIVDEBPXQPMLK-MRXNPFEDSA-N 2 2 338.496 1.223 20 0 EDADLP COCC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604207725 449192348 /nfs/dbraw/zinc/19/23/48/449192348.db2.gz BHIVDEBPXQPMLK-MRXNPFEDSA-N 2 2 338.496 1.223 20 0 EDADLP COC(=O)CSCc1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000593903446 449274648 /nfs/dbraw/zinc/27/46/48/449274648.db2.gz AVCKYNQLCAISNQ-CQSZACIVSA-N 2 2 339.461 1.310 20 0 EDADLP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc2ccccc2c1 ZINC000593905769 449275942 /nfs/dbraw/zinc/27/59/42/449275942.db2.gz AJSPRARVVDSQRG-SJORKVTESA-N 2 2 343.427 1.449 20 0 EDADLP O=C(C[N@@H+](CCCO)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000605422029 449378536 /nfs/dbraw/zinc/37/85/36/449378536.db2.gz GQPIMSYHFUTXQD-UHFFFAOYSA-N 2 2 347.459 1.304 20 0 EDADLP O=C(C[N@H+](CCCO)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000605422029 449378539 /nfs/dbraw/zinc/37/85/39/449378539.db2.gz GQPIMSYHFUTXQD-UHFFFAOYSA-N 2 2 347.459 1.304 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611806670 449429314 /nfs/dbraw/zinc/42/93/14/449429314.db2.gz LCFHREZHBWKRFX-HUUCEWRRSA-N 2 2 334.464 1.474 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611806670 449429319 /nfs/dbraw/zinc/42/93/19/449429319.db2.gz LCFHREZHBWKRFX-HUUCEWRRSA-N 2 2 334.464 1.474 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000600641153 449467062 /nfs/dbraw/zinc/46/70/62/449467062.db2.gz KWQSYJIORYXWLV-MJGOQNOKSA-N 2 2 332.492 1.869 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000600641153 449467064 /nfs/dbraw/zinc/46/70/64/449467064.db2.gz KWQSYJIORYXWLV-MJGOQNOKSA-N 2 2 332.492 1.869 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000600643593 449468605 /nfs/dbraw/zinc/46/86/05/449468605.db2.gz HNBCKDGKDQJGTC-STQMWFEESA-N 2 2 330.354 1.992 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000600643593 449468613 /nfs/dbraw/zinc/46/86/13/449468613.db2.gz HNBCKDGKDQJGTC-STQMWFEESA-N 2 2 330.354 1.992 20 0 EDADLP COC(=O)c1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000596453508 449511112 /nfs/dbraw/zinc/51/11/12/449511112.db2.gz LWWRITJWGBIHNK-UHFFFAOYSA-N 2 2 336.436 1.478 20 0 EDADLP COC(=O)c1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000596453508 449511113 /nfs/dbraw/zinc/51/11/13/449511113.db2.gz LWWRITJWGBIHNK-UHFFFAOYSA-N 2 2 336.436 1.478 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH2+]CC1 ZINC000596649175 449586067 /nfs/dbraw/zinc/58/60/67/449586067.db2.gz CEIORCKWRZSEQI-GJZGRUSLSA-N 3 2 325.497 1.770 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH2+]CC1 ZINC000596649175 449586075 /nfs/dbraw/zinc/58/60/75/449586075.db2.gz CEIORCKWRZSEQI-GJZGRUSLSA-N 3 2 325.497 1.770 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607348010 449600797 /nfs/dbraw/zinc/60/07/97/449600797.db2.gz TYVRFFUQTBUFJU-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607348010 449600805 /nfs/dbraw/zinc/60/08/05/449600805.db2.gz TYVRFFUQTBUFJU-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607348010 449600809 /nfs/dbraw/zinc/60/08/09/449600809.db2.gz TYVRFFUQTBUFJU-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607348010 449600814 /nfs/dbraw/zinc/60/08/14/449600814.db2.gz TYVRFFUQTBUFJU-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c4c(nn3C)CCCC4)C2)CC1 ZINC000602462854 449609318 /nfs/dbraw/zinc/60/93/18/449609318.db2.gz CWZHUBFZVDDMDF-MRXNPFEDSA-N 2 2 331.508 1.511 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c4c(nn3C)CCCC4)C2)CC1 ZINC000602462854 449609324 /nfs/dbraw/zinc/60/93/24/449609324.db2.gz CWZHUBFZVDDMDF-MRXNPFEDSA-N 2 2 331.508 1.511 20 0 EDADLP C[NH+](C)CCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000617450350 449618327 /nfs/dbraw/zinc/61/83/27/449618327.db2.gz GXZNKEBTLSXBKU-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+](C)CCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000617450350 449618334 /nfs/dbraw/zinc/61/83/34/449618334.db2.gz GXZNKEBTLSXBKU-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP COc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1OC(C)C ZINC000594740382 449659644 /nfs/dbraw/zinc/65/96/44/449659644.db2.gz XPLBYZQWSCLINO-CABCVRRESA-N 2 2 333.432 1.226 20 0 EDADLP COc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1OC(C)C ZINC000594740382 449659650 /nfs/dbraw/zinc/65/96/50/449659650.db2.gz XPLBYZQWSCLINO-CABCVRRESA-N 2 2 333.432 1.226 20 0 EDADLP CN(C(=O)[C@@H]1Cc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906492 449664355 /nfs/dbraw/zinc/66/43/55/449664355.db2.gz KLPCTYUINBAZLY-PKOBYXMFSA-N 2 2 327.472 1.953 20 0 EDADLP CN(C(=O)[C@@H]1Cc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906492 449664360 /nfs/dbraw/zinc/66/43/60/449664360.db2.gz KLPCTYUINBAZLY-PKOBYXMFSA-N 2 2 327.472 1.953 20 0 EDADLP CC[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000612403576 449681012 /nfs/dbraw/zinc/68/10/12/449681012.db2.gz OVQOQMQZQGXQON-QZTJIDSGSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000612403576 449681020 /nfs/dbraw/zinc/68/10/20/449681020.db2.gz OVQOQMQZQGXQON-QZTJIDSGSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CCO1 ZINC000600982989 449633398 /nfs/dbraw/zinc/63/33/98/449633398.db2.gz JIPUIZBTXFEDFZ-CJNGLKHVSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CCO1 ZINC000600982989 449633406 /nfs/dbraw/zinc/63/34/06/449633406.db2.gz JIPUIZBTXFEDFZ-CJNGLKHVSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000607733326 449640825 /nfs/dbraw/zinc/64/08/25/449640825.db2.gz QMSZHXAMVDFFRQ-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](CCO)C1 ZINC000607733326 449640831 /nfs/dbraw/zinc/64/08/31/449640831.db2.gz QMSZHXAMVDFFRQ-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@H]2CCc3[nH+]ccn3C2)nc(C)[nH+]1 ZINC000601148898 449717643 /nfs/dbraw/zinc/71/76/43/449717643.db2.gz BFWATQPTZDOZFW-CQSZACIVSA-N 2 2 343.431 2.152 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000599088076 449725457 /nfs/dbraw/zinc/72/54/57/449725457.db2.gz JGAPHKBBUGZBGT-QGZVFWFLSA-N 2 2 347.459 1.310 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000599088076 449725464 /nfs/dbraw/zinc/72/54/64/449725464.db2.gz JGAPHKBBUGZBGT-QGZVFWFLSA-N 2 2 347.459 1.310 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCSc3cccc(Cl)c3)CCN2C1=O ZINC000594876193 449789597 /nfs/dbraw/zinc/78/95/97/449789597.db2.gz IJMXEWOSBBYWGM-GXTWGEPZSA-N 2 2 325.865 1.676 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCSc3cccc(Cl)c3)CCN2C1=O ZINC000594876193 449789601 /nfs/dbraw/zinc/78/96/01/449789601.db2.gz IJMXEWOSBBYWGM-GXTWGEPZSA-N 2 2 325.865 1.676 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617724186 449780400 /nfs/dbraw/zinc/78/04/00/449780400.db2.gz WQNWUPREZZMEFV-SCTDSRPQSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617724186 449780405 /nfs/dbraw/zinc/78/04/05/449780405.db2.gz WQNWUPREZZMEFV-SCTDSRPQSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617724186 449780411 /nfs/dbraw/zinc/78/04/11/449780411.db2.gz WQNWUPREZZMEFV-SCTDSRPQSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617724186 449780417 /nfs/dbraw/zinc/78/04/17/449780417.db2.gz WQNWUPREZZMEFV-SCTDSRPQSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC[N@@H+]1C ZINC000614670166 449752462 /nfs/dbraw/zinc/75/24/62/449752462.db2.gz UCBMCPSKXLSRRQ-GDBMZVCRSA-N 2 2 336.505 1.948 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC[N@H+]1C ZINC000614670166 449752469 /nfs/dbraw/zinc/75/24/69/449752469.db2.gz UCBMCPSKXLSRRQ-GDBMZVCRSA-N 2 2 336.505 1.948 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCOc3cccnc3)C2)CC1 ZINC000608133733 449761451 /nfs/dbraw/zinc/76/14/51/449761451.db2.gz HMFVGYQPJCVVRR-INIZCTEOSA-N 2 2 346.475 1.525 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCOc3cccnc3)C2)CC1 ZINC000608133733 449761453 /nfs/dbraw/zinc/76/14/53/449761453.db2.gz HMFVGYQPJCVVRR-INIZCTEOSA-N 2 2 346.475 1.525 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000617764861 449823636 /nfs/dbraw/zinc/82/36/36/449823636.db2.gz JNVBWWNGVGWMNL-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000617764861 449823644 /nfs/dbraw/zinc/82/36/44/449823644.db2.gz JNVBWWNGVGWMNL-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000597187486 449863617 /nfs/dbraw/zinc/86/36/17/449863617.db2.gz QHVLOCUZDNIKMF-LAVFITLUSA-N 2 2 332.444 1.960 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000597187486 449863620 /nfs/dbraw/zinc/86/36/20/449863620.db2.gz QHVLOCUZDNIKMF-LAVFITLUSA-N 2 2 332.444 1.960 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615088934 449950048 /nfs/dbraw/zinc/95/00/48/449950048.db2.gz VOIFEJKYYDPJPT-UONOGXRCSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615088934 449950050 /nfs/dbraw/zinc/95/00/50/449950050.db2.gz VOIFEJKYYDPJPT-UONOGXRCSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615088934 449950054 /nfs/dbraw/zinc/95/00/54/449950054.db2.gz VOIFEJKYYDPJPT-UONOGXRCSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615088934 449950056 /nfs/dbraw/zinc/95/00/56/449950056.db2.gz VOIFEJKYYDPJPT-UONOGXRCSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@]1(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000612868110 449917798 /nfs/dbraw/zinc/91/77/98/449917798.db2.gz NBXPKEBPJMZLHZ-SJLPKXTDSA-N 2 2 332.448 1.111 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612963367 449958854 /nfs/dbraw/zinc/95/88/54/449958854.db2.gz JIMVBEDAHVPMEE-KRWDZBQOSA-N 2 2 339.443 1.873 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258465 449986898 /nfs/dbraw/zinc/98/68/98/449986898.db2.gz XYMRWCQMNGDUSJ-AWEZNQCLSA-N 2 2 342.399 1.945 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258465 449986903 /nfs/dbraw/zinc/98/69/03/449986903.db2.gz XYMRWCQMNGDUSJ-AWEZNQCLSA-N 2 2 342.399 1.945 20 0 EDADLP COC(=O)c1oc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000599458590 449990488 /nfs/dbraw/zinc/99/04/88/449990488.db2.gz UAFLTCMGGPOIKF-CYBMUJFWSA-N 2 2 349.431 1.273 20 0 EDADLP COC(=O)c1oc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000599458590 449990495 /nfs/dbraw/zinc/99/04/95/449990495.db2.gz UAFLTCMGGPOIKF-CYBMUJFWSA-N 2 2 349.431 1.273 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N(Cc1ccco1)Cc1ccccc1 ZINC000613209615 450080610 /nfs/dbraw/zinc/08/06/10/450080610.db2.gz AXBCPRPTYYZVDM-HDICACEKSA-N 2 2 339.439 1.960 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N(Cc1ccco1)Cc1ccccc1 ZINC000613209615 450080614 /nfs/dbraw/zinc/08/06/14/450080614.db2.gz AXBCPRPTYYZVDM-HDICACEKSA-N 2 2 339.439 1.960 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599583090 450083177 /nfs/dbraw/zinc/08/31/77/450083177.db2.gz QHJATIXUCWKODZ-HRCADAONSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599583090 450083183 /nfs/dbraw/zinc/08/31/83/450083183.db2.gz QHJATIXUCWKODZ-HRCADAONSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599583090 450083191 /nfs/dbraw/zinc/08/31/91/450083191.db2.gz QHJATIXUCWKODZ-HRCADAONSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599583090 450083195 /nfs/dbraw/zinc/08/31/95/450083195.db2.gz 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ZINC000618552119 450240550 /nfs/dbraw/zinc/24/05/50/450240550.db2.gz DKVOJJQFRHXGNM-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[N@@H+](C)C3)c[nH+]2)CCO1 ZINC000618552119 450240556 /nfs/dbraw/zinc/24/05/56/450240556.db2.gz DKVOJJQFRHXGNM-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC(=O)NCC(F)(F)F ZINC000610581891 450267274 /nfs/dbraw/zinc/26/72/74/450267274.db2.gz SMVAXXAOAMSQSI-LLVKDONJSA-N 2 2 347.341 1.298 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC(=O)NCC(F)(F)F ZINC000610581891 450267275 /nfs/dbraw/zinc/26/72/75/450267275.db2.gz SMVAXXAOAMSQSI-LLVKDONJSA-N 2 2 347.341 1.298 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)c1 ZINC000616208067 450355004 /nfs/dbraw/zinc/35/50/04/450355004.db2.gz SANLDHGRIWMXEF-UHFFFAOYSA-N 2 2 337.427 1.862 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)c1 ZINC000616208067 450355008 /nfs/dbraw/zinc/35/50/08/450355008.db2.gz 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C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623466845 450525818 /nfs/dbraw/zinc/52/58/18/450525818.db2.gz OGIQUSAPCXIFDD-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623466845 450525819 /nfs/dbraw/zinc/52/58/19/450525819.db2.gz OGIQUSAPCXIFDD-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623466845 450525820 /nfs/dbraw/zinc/52/58/20/450525820.db2.gz OGIQUSAPCXIFDD-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000620772599 450541343 /nfs/dbraw/zinc/54/13/43/450541343.db2.gz NVYKTEQOOAPBQF-WBVHZDCISA-N 2 2 333.501 1.814 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000620772599 450541345 /nfs/dbraw/zinc/54/13/45/450541345.db2.gz NVYKTEQOOAPBQF-WBVHZDCISA-N 2 2 333.501 1.814 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000623634627 450556061 /nfs/dbraw/zinc/55/60/61/450556061.db2.gz NHXTUZMKQDXTGV-YQQAZPJKSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000623634627 450556063 /nfs/dbraw/zinc/55/60/63/450556063.db2.gz NHXTUZMKQDXTGV-YQQAZPJKSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCN(c4ccc5nncn5n4)C3)n2c1 ZINC000623653139 450561254 /nfs/dbraw/zinc/56/12/54/450561254.db2.gz ZPFXXGGMZGQXLN-AWEZNQCLSA-N 2 2 348.414 1.449 20 0 EDADLP COC[C@]1(C)C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000626176891 450610569 /nfs/dbraw/zinc/61/05/69/450610569.db2.gz YYYQNALBCMJMDL-MJGOQNOKSA-N 2 2 349.475 1.143 20 0 EDADLP COC[C@]1(C)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000626176891 450610573 /nfs/dbraw/zinc/61/05/73/450610573.db2.gz YYYQNALBCMJMDL-MJGOQNOKSA-N 2 2 349.475 1.143 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCCO1 ZINC000623860351 450617428 /nfs/dbraw/zinc/61/74/28/450617428.db2.gz SNGGBLXIFALTLV-SJORKVTESA-N 2 2 333.480 1.536 20 0 EDADLP c1[nH+]cn2c1c(NCCCC[NH+]1CCOCC1)nc1ccccc12 ZINC000623864164 450619573 /nfs/dbraw/zinc/61/95/73/450619573.db2.gz ICIUBJAJFWUGCH-UHFFFAOYSA-N 2 2 325.416 2.407 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC000627309753 450638458 /nfs/dbraw/zinc/63/84/58/450638458.db2.gz ZETNWFOXCGZXLA-HOTGVXAUSA-N 2 2 346.475 1.276 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC000627309753 450638465 /nfs/dbraw/zinc/63/84/65/450638465.db2.gz ZETNWFOXCGZXLA-HOTGVXAUSA-N 2 2 346.475 1.276 20 0 EDADLP C[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)[C@@H](C)[NH+]1CCOCC1 ZINC000623941357 450644440 /nfs/dbraw/zinc/64/44/40/450644440.db2.gz PMKYTWWAXVCPFE-ZIAGYGMSSA-N 2 2 325.416 2.404 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)C3CC[NH+](C)CC3)nc[nH+]2)C1 ZINC000623969827 450655512 /nfs/dbraw/zinc/65/55/12/450655512.db2.gz VWSFYIHDUJGOQH-DZKIICNBSA-N 2 2 333.480 1.826 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)C3CC[NH+](C)CC3)[nH+]cn2)C1 ZINC000623969827 450655515 /nfs/dbraw/zinc/65/55/15/450655515.db2.gz VWSFYIHDUJGOQH-DZKIICNBSA-N 2 2 333.480 1.826 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000626289389 450666706 /nfs/dbraw/zinc/66/67/06/450666706.db2.gz RHXJSBTWKUPYAS-OAHLLOKOSA-N 2 2 336.436 1.079 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000626289389 450666709 /nfs/dbraw/zinc/66/67/09/450666709.db2.gz RHXJSBTWKUPYAS-OAHLLOKOSA-N 2 2 336.436 1.079 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000633036921 450633462 /nfs/dbraw/zinc/63/34/62/450633462.db2.gz NGHUVNIWIVIDJU-OWCLPIDISA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000633036921 450633467 /nfs/dbraw/zinc/63/34/67/450633467.db2.gz NGHUVNIWIVIDJU-OWCLPIDISA-N 2 2 326.485 1.077 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621383214 450710224 /nfs/dbraw/zinc/71/02/24/450710224.db2.gz WKRLVTAGQFURGP-UHFFFAOYSA-N 2 2 345.422 1.642 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)s1 ZINC000631707078 450723568 /nfs/dbraw/zinc/72/35/68/450723568.db2.gz PRKNPEQNMMOVFR-AWEZNQCLSA-N 2 2 338.521 1.899 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)s1 ZINC000631707078 450723569 /nfs/dbraw/zinc/72/35/69/450723569.db2.gz PRKNPEQNMMOVFR-AWEZNQCLSA-N 2 2 338.521 1.899 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)CCO1 ZINC000629558782 450735092 /nfs/dbraw/zinc/73/50/92/450735092.db2.gz NJCRSXCXBAHEBW-FXAWDEMLSA-N 3 2 347.503 1.454 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)CCO1 ZINC000629558782 450735097 /nfs/dbraw/zinc/73/50/97/450735097.db2.gz NJCRSXCXBAHEBW-FXAWDEMLSA-N 3 2 347.503 1.454 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000631861064 450830856 /nfs/dbraw/zinc/83/08/56/450830856.db2.gz VBNDQURIYLJUBD-GOEBONIOSA-N 2 2 334.439 1.286 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000631861064 450830862 /nfs/dbraw/zinc/83/08/62/450830862.db2.gz VBNDQURIYLJUBD-GOEBONIOSA-N 2 2 334.439 1.286 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CCC[NH+](C)C)c1C ZINC000631836812 450805437 /nfs/dbraw/zinc/80/54/37/450805437.db2.gz HHIUYYSRIAOGRM-UHFFFAOYSA-N 2 2 329.466 1.420 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886919 450849459 /nfs/dbraw/zinc/84/94/59/450849459.db2.gz KYTJPGAWIZFHRB-FUHWJXTLSA-N 2 2 331.460 1.523 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886919 450849463 /nfs/dbraw/zinc/84/94/63/450849463.db2.gz KYTJPGAWIZFHRB-FUHWJXTLSA-N 2 2 331.460 1.523 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000621779209 450864745 /nfs/dbraw/zinc/86/47/45/450864745.db2.gz BNNAUQDSQUJCGA-OHNRDTAOSA-N 2 2 347.459 1.522 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1OC ZINC000621779209 450864750 /nfs/dbraw/zinc/86/47/50/450864750.db2.gz BNNAUQDSQUJCGA-OHNRDTAOSA-N 2 2 347.459 1.522 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+](CCCF)CC1 ZINC000633560429 450916960 /nfs/dbraw/zinc/91/69/60/450916960.db2.gz JYXNSOVUVKIGRX-UHFFFAOYSA-N 2 2 330.407 1.919 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624611300 450921317 /nfs/dbraw/zinc/92/13/17/450921317.db2.gz NRCCHYMOISCEOG-IKGGRYGDSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624611300 450921321 /nfs/dbraw/zinc/92/13/21/450921321.db2.gz NRCCHYMOISCEOG-IKGGRYGDSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000624616513 450925857 /nfs/dbraw/zinc/92/58/57/450925857.db2.gz CSPMWHCSTLDQCR-INIZCTEOSA-N 2 2 331.464 1.645 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000624616513 450925863 /nfs/dbraw/zinc/92/58/63/450925863.db2.gz CSPMWHCSTLDQCR-INIZCTEOSA-N 2 2 331.464 1.645 20 0 EDADLP COCC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635424547 450929894 /nfs/dbraw/zinc/92/98/94/450929894.db2.gz CLOPMRAPUIXSDN-UHFFFAOYSA-N 2 2 344.415 1.419 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)c3cncnc3)CC2)CC1 ZINC000630009464 450950719 /nfs/dbraw/zinc/95/07/19/450950719.db2.gz MBHUFRUEBIUKSR-INIZCTEOSA-N 2 2 345.491 1.599 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)c3cncnc3)CC2)CC1 ZINC000630009464 450950722 /nfs/dbraw/zinc/95/07/22/450950722.db2.gz MBHUFRUEBIUKSR-INIZCTEOSA-N 2 2 345.491 1.599 20 0 EDADLP CC[N@H+](CCNC(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1)C1CC1 ZINC000635497614 450992089 /nfs/dbraw/zinc/99/20/89/450992089.db2.gz RKIBYUQGNVZMOY-GOSISDBHSA-N 2 2 331.460 1.870 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1)C1CC1 ZINC000635497614 450992095 /nfs/dbraw/zinc/99/20/95/450992095.db2.gz RKIBYUQGNVZMOY-GOSISDBHSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C1CC1 ZINC000635497614 450992097 /nfs/dbraw/zinc/99/20/97/450992097.db2.gz RKIBYUQGNVZMOY-GOSISDBHSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+](CCNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)C1CC1 ZINC000635497614 450992102 /nfs/dbraw/zinc/99/21/02/450992102.db2.gz RKIBYUQGNVZMOY-GOSISDBHSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000621990842 450977396 /nfs/dbraw/zinc/97/73/96/450977396.db2.gz ADJKZISHCFEXDQ-UHFFFAOYSA-N 2 2 332.448 1.355 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000626932245 451014432 /nfs/dbraw/zinc/01/44/32/451014432.db2.gz SZQFXEZBDNNHMC-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635545455 451041113 /nfs/dbraw/zinc/04/11/13/451041113.db2.gz JCWJWSKORHOJHN-UHFFFAOYSA-N 2 2 344.415 1.372 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000632150815 451076418 /nfs/dbraw/zinc/07/64/18/451076418.db2.gz OUTAXJKMFKLFJE-HOTGVXAUSA-N 2 2 337.489 1.445 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000632150815 451076421 /nfs/dbraw/zinc/07/64/21/451076421.db2.gz OUTAXJKMFKLFJE-HOTGVXAUSA-N 2 2 337.489 1.445 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000635584556 451083855 /nfs/dbraw/zinc/08/38/55/451083855.db2.gz NIDZKBJZUZUKCU-JZXOWHBKSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000635584556 451083860 /nfs/dbraw/zinc/08/38/60/451083860.db2.gz NIDZKBJZUZUKCU-JZXOWHBKSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000635584556 451083863 /nfs/dbraw/zinc/08/38/63/451083863.db2.gz NIDZKBJZUZUKCU-JZXOWHBKSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)O1 ZINC000635584556 451083865 /nfs/dbraw/zinc/08/38/65/451083865.db2.gz NIDZKBJZUZUKCU-JZXOWHBKSA-N 2 2 331.460 1.438 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000635619246 451109467 /nfs/dbraw/zinc/10/94/67/451109467.db2.gz RPELFLANPDXGKA-LJQANCHMSA-N 2 2 345.487 1.484 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000635619246 451109470 /nfs/dbraw/zinc/10/94/70/451109470.db2.gz RPELFLANPDXGKA-LJQANCHMSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H](C[NH3+])CC(C)C)nc(C(C)C)[nH+]1 ZINC000627080452 451114207 /nfs/dbraw/zinc/11/42/07/451114207.db2.gz KTJAGOWWHAZILY-AWEZNQCLSA-N 2 2 336.484 1.993 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC([NH+]3CCOCC3)CC1)CC2 ZINC000628122620 451144941 /nfs/dbraw/zinc/14/49/41/451144941.db2.gz FSUOQTJJJNHEAO-HNNXBMFYSA-N 2 2 332.448 1.077 20 0 EDADLP C[NH2+]CCOCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000627173508 451163709 /nfs/dbraw/zinc/16/37/09/451163709.db2.gz ZNFVAKRRJASBGF-HNNXBMFYSA-N 2 2 349.479 1.344 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628186982 451173229 /nfs/dbraw/zinc/17/32/29/451173229.db2.gz BPUREKXTQLPREM-QGZVFWFLSA-N 2 2 327.432 1.301 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628186982 451173234 /nfs/dbraw/zinc/17/32/34/451173234.db2.gz BPUREKXTQLPREM-QGZVFWFLSA-N 2 2 327.432 1.301 20 0 EDADLP Cc1ncc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000628210308 451182550 /nfs/dbraw/zinc/18/25/50/451182550.db2.gz PYVOEQMKHQXDIF-UHFFFAOYSA-N 2 2 329.404 1.207 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628211828 451183282 /nfs/dbraw/zinc/18/32/82/451183282.db2.gz VBDRYQDQULITIH-UHFFFAOYSA-N 2 2 341.459 1.662 20 0 EDADLP CC(C)C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)n1cc[nH+]c1 ZINC000635711246 451189815 /nfs/dbraw/zinc/18/98/15/451189815.db2.gz PUAZIKDVMOUSHZ-IRXDYDNUSA-N 2 2 336.480 1.823 20 0 EDADLP CC(C)C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)n1cc[nH+]c1 ZINC000635711246 451189817 /nfs/dbraw/zinc/18/98/17/451189817.db2.gz PUAZIKDVMOUSHZ-IRXDYDNUSA-N 2 2 336.480 1.823 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000632332501 451203474 /nfs/dbraw/zinc/20/34/74/451203474.db2.gz PATPCAYOXKCKFC-UHFFFAOYSA-N 2 2 325.478 1.084 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)n1cc[nH+]c1 ZINC000635740391 451210885 /nfs/dbraw/zinc/21/08/85/451210885.db2.gz KUOJNIYORYXIIX-QGZVFWFLSA-N 2 2 336.480 1.776 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)n1cc[nH+]c1 ZINC000635740391 451210886 /nfs/dbraw/zinc/21/08/86/451210886.db2.gz KUOJNIYORYXIIX-QGZVFWFLSA-N 2 2 336.480 1.776 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCC(=O)C3CC3)c2)CC1 ZINC000634193307 451227580 /nfs/dbraw/zinc/22/75/80/451227580.db2.gz IQLURBLKVJCRTF-UHFFFAOYSA-N 2 2 330.432 1.921 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3ccc(O)c(F)c3)c2)CC1 ZINC000634193284 451227830 /nfs/dbraw/zinc/22/78/30/451227830.db2.gz ILCXEQUYASUWOO-UHFFFAOYSA-N 2 2 344.390 1.859 20 0 EDADLP CO[C@H]1CCC[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000634193013 451227954 /nfs/dbraw/zinc/22/79/54/451227954.db2.gz CBQYFTAHCQPFQP-HOCLYGCPSA-N 2 2 332.448 1.977 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302623 451286946 /nfs/dbraw/zinc/28/69/46/451286946.db2.gz MTFOJHSJBBANOY-OAHLLOKOSA-N 2 2 334.489 1.735 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302623 451286951 /nfs/dbraw/zinc/28/69/51/451286951.db2.gz MTFOJHSJBBANOY-OAHLLOKOSA-N 2 2 334.489 1.735 20 0 EDADLP CN1CC[C@@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1=O ZINC000638103781 451270849 /nfs/dbraw/zinc/27/08/49/451270849.db2.gz TVEMERAZCXQZPQ-GOSISDBHSA-N 2 2 347.459 1.060 20 0 EDADLP CN1CC[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1=O ZINC000638103781 451270851 /nfs/dbraw/zinc/27/08/51/451270851.db2.gz TVEMERAZCXQZPQ-GOSISDBHSA-N 2 2 347.459 1.060 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([N@@H+](C)C[C@H](C)O)CC3)cc2[nH+]1 ZINC000635830609 451279828 /nfs/dbraw/zinc/27/98/28/451279828.db2.gz YCZKFHVSFLHIFN-AWEZNQCLSA-N 2 2 330.432 1.560 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([N@H+](C)C[C@H](C)O)CC3)cc2[nH+]1 ZINC000635830609 451279832 /nfs/dbraw/zinc/27/98/32/451279832.db2.gz YCZKFHVSFLHIFN-AWEZNQCLSA-N 2 2 330.432 1.560 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000638111302 451280138 /nfs/dbraw/zinc/28/01/38/451280138.db2.gz CVSLADSWPNNDJI-KRWDZBQOSA-N 2 2 338.411 1.838 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000638132867 451304839 /nfs/dbraw/zinc/30/48/39/451304839.db2.gz FSMKHJZWTSEEFM-HUUCEWRRSA-N 2 2 334.489 1.200 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636587460 451327248 /nfs/dbraw/zinc/32/72/48/451327248.db2.gz DMCDQRXMMXRYSL-CQSZACIVSA-N 2 2 349.504 1.469 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638172319 451335471 /nfs/dbraw/zinc/33/54/71/451335471.db2.gz ZCQSDEGVPKFINK-IBGZPJMESA-N 2 2 340.471 1.433 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@H](CO)C[NH+]1CCCCC1 ZINC000635914994 451361052 /nfs/dbraw/zinc/36/10/52/451361052.db2.gz RQIOKQLPXHWTEQ-QWHCGFSZSA-N 2 2 348.369 1.340 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634511967 451378475 /nfs/dbraw/zinc/37/84/75/451378475.db2.gz KWMFOVORVJDWSZ-QGZVFWFLSA-N 2 2 331.464 1.038 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634511967 451378478 /nfs/dbraw/zinc/37/84/78/451378478.db2.gz KWMFOVORVJDWSZ-QGZVFWFLSA-N 2 2 331.464 1.038 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635968384 451404821 /nfs/dbraw/zinc/40/48/21/451404821.db2.gz ZRFVRMLGZDHDJG-LLVKDONJSA-N 2 2 344.341 1.773 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640564075 451409800 /nfs/dbraw/zinc/40/98/00/451409800.db2.gz PEKQDQVYBXHPDK-UHFFFAOYSA-N 2 2 349.479 1.718 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](O)C(C)(C)CC)CC2)CC1 ZINC000636054407 451470924 /nfs/dbraw/zinc/47/09/24/451470924.db2.gz YMYICFKMLLKZEO-KRWDZBQOSA-N 2 2 339.524 1.802 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](O)C(C)(C)CC)CC2)CC1 ZINC000636054407 451470927 /nfs/dbraw/zinc/47/09/27/451470927.db2.gz YMYICFKMLLKZEO-KRWDZBQOSA-N 2 2 339.524 1.802 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000638420646 451505377 /nfs/dbraw/zinc/50/53/77/451505377.db2.gz OXPPVJDHIVSEET-HNNXBMFYSA-N 2 2 329.448 1.809 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000638420646 451505379 /nfs/dbraw/zinc/50/53/79/451505379.db2.gz OXPPVJDHIVSEET-HNNXBMFYSA-N 2 2 329.448 1.809 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[NH+](C)C1CC1 ZINC000634724551 451505806 /nfs/dbraw/zinc/50/58/06/451505806.db2.gz SHVIGWZEOSXXOP-IMFGXOCKSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[NH+](C)C1CC1 ZINC000634724551 451505812 /nfs/dbraw/zinc/50/58/12/451505812.db2.gz SHVIGWZEOSXXOP-IMFGXOCKSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000634724551 451505818 /nfs/dbraw/zinc/50/58/18/451505818.db2.gz SHVIGWZEOSXXOP-IMFGXOCKSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000634724551 451505822 /nfs/dbraw/zinc/50/58/22/451505822.db2.gz SHVIGWZEOSXXOP-IMFGXOCKSA-N 3 2 331.504 1.799 20 0 EDADLP C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1(C)C ZINC000636094773 451512434 /nfs/dbraw/zinc/51/24/34/451512434.db2.gz WSQOUHKMSHFDLI-IRXDYDNUSA-N 2 2 346.475 1.372 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CC[NH+](CCCF)CC1 ZINC000636102862 451516802 /nfs/dbraw/zinc/51/68/02/451516802.db2.gz WYHTWBCCGOFQPS-GFCCVEGCSA-N 2 2 336.333 1.880 20 0 EDADLP COc1ncc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000638463206 451528334 /nfs/dbraw/zinc/52/83/34/451528334.db2.gz RHGLNMFOZSMBGD-UHFFFAOYSA-N 3 2 347.488 1.849 20 0 EDADLP Cc1nc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631057331 451559183 /nfs/dbraw/zinc/55/91/83/451559183.db2.gz UQBIOTSKVFKQCK-STQMWFEESA-N 2 2 342.447 1.405 20 0 EDADLP Cc1nc(N)nc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)[nH+]1 ZINC000631057331 451559184 /nfs/dbraw/zinc/55/91/84/451559184.db2.gz UQBIOTSKVFKQCK-STQMWFEESA-N 2 2 342.447 1.405 20 0 EDADLP C[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)N(C)C1CC1 ZINC000631063173 451563263 /nfs/dbraw/zinc/56/32/63/451563263.db2.gz FCLLIOVUGAOMGX-QGZVFWFLSA-N 2 2 347.503 1.970 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@@H]1C[NH3+] ZINC000634811118 451567371 /nfs/dbraw/zinc/56/73/71/451567371.db2.gz UOIWKRNQEJKBEY-ILXRZTDVSA-N 2 2 333.480 1.637 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C[C@@H]1C[NH3+] ZINC000634811118 451567376 /nfs/dbraw/zinc/56/73/76/451567376.db2.gz UOIWKRNQEJKBEY-ILXRZTDVSA-N 2 2 333.480 1.637 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]([NH3+])c2ccccc2C)nc(C(C)C)[nH+]1 ZINC000638583447 451588924 /nfs/dbraw/zinc/58/89/24/451588924.db2.gz JWRWVZULAXDNIK-QGZVFWFLSA-N 2 2 341.459 2.445 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638583467 451589075 /nfs/dbraw/zinc/58/90/75/451589075.db2.gz KOYJFSOITJUIOL-KSSFIOAISA-N 2 2 333.480 2.344 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632843979 451609273 /nfs/dbraw/zinc/60/92/73/451609273.db2.gz DFAXYXRFQBSECL-UHFFFAOYSA-N 2 2 348.495 1.078 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717126 451663953 /nfs/dbraw/zinc/66/39/53/451663953.db2.gz FTUZJONYIJVQAU-CZUORRHYSA-N 2 2 326.448 1.302 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717126 451663956 /nfs/dbraw/zinc/66/39/56/451663956.db2.gz FTUZJONYIJVQAU-CZUORRHYSA-N 2 2 326.448 1.302 20 0 EDADLP c1cc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)no1 ZINC000634960858 451625264 /nfs/dbraw/zinc/62/52/64/451625264.db2.gz DUTMHYXUALSHNZ-OAHLLOKOSA-N 2 2 344.419 1.060 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C[NH2+]1 ZINC000638652849 451633356 /nfs/dbraw/zinc/63/33/56/451633356.db2.gz BBYPRWDNBNHYPD-KYJSFNMBSA-N 3 2 341.459 1.058 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634987201 451637681 /nfs/dbraw/zinc/63/76/81/451637681.db2.gz OPLKMABJCMZINX-QZTJIDSGSA-N 2 2 330.476 1.061 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634987201 451637684 /nfs/dbraw/zinc/63/76/84/451637684.db2.gz OPLKMABJCMZINX-QZTJIDSGSA-N 2 2 330.476 1.061 20 0 EDADLP FC(F)(F)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)n1cncn1 ZINC000631209072 451641882 /nfs/dbraw/zinc/64/18/82/451641882.db2.gz JHPKLMMCKHIXBX-CYBMUJFWSA-N 2 2 337.309 1.752 20 0 EDADLP Cn1ncc(Br)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000635020168 451655030 /nfs/dbraw/zinc/65/50/30/451655030.db2.gz KQCCLEPMUASBFT-RAIGVLPGSA-N 2 2 343.269 1.429 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636293153 451661993 /nfs/dbraw/zinc/66/19/93/451661993.db2.gz JOVXUFJBQCPWOQ-KRWDZBQOSA-N 2 2 339.443 1.227 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCn4nccc43)cn2)CC1 ZINC000631302309 451687401 /nfs/dbraw/zinc/68/74/01/451687401.db2.gz ZDTQXDZCAUQPIY-HNNXBMFYSA-N 2 2 327.436 1.050 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637118281 451730145 /nfs/dbraw/zinc/73/01/45/451730145.db2.gz KZDQDNZNTHEZOQ-GDBMZVCRSA-N 2 2 331.464 1.904 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637118281 451730149 /nfs/dbraw/zinc/73/01/49/451730149.db2.gz KZDQDNZNTHEZOQ-GDBMZVCRSA-N 2 2 331.464 1.904 20 0 EDADLP COc1ccc(O)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638984903 451746050 /nfs/dbraw/zinc/74/60/50/451746050.db2.gz UNWZSMNSSPEOOY-UHFFFAOYSA-N 2 2 328.372 1.458 20 0 EDADLP COc1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1F ZINC000638984573 451746118 /nfs/dbraw/zinc/74/61/18/451746118.db2.gz NLUKZOMZFYANIK-UHFFFAOYSA-N 2 2 330.363 1.891 20 0 EDADLP Cc1ccn2cnc(C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)c2c1 ZINC000638986109 451746584 /nfs/dbraw/zinc/74/65/84/451746584.db2.gz VAZWNKCSYWAABA-UHFFFAOYSA-N 2 2 336.399 1.700 20 0 EDADLP Cc1[nH]nc2ncc(C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)cc12 ZINC000638985867 451746596 /nfs/dbraw/zinc/74/65/96/451746596.db2.gz IQEZTHABINPKJL-UHFFFAOYSA-N 2 2 337.387 1.323 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000638990984 451749212 /nfs/dbraw/zinc/74/92/12/451749212.db2.gz SBQJUJQHRMPSCJ-UKRRQHHQSA-N 2 2 334.489 1.639 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005709 451751719 /nfs/dbraw/zinc/75/17/19/451751719.db2.gz ZTMVGUNNVLLULT-SFHVURJKSA-N 2 2 339.443 1.172 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639058749 451759615 /nfs/dbraw/zinc/75/96/15/451759615.db2.gz VBRNRBKYFXYYFA-QZTJIDSGSA-N 2 2 347.503 1.922 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639058749 451759617 /nfs/dbraw/zinc/75/96/17/451759617.db2.gz VBRNRBKYFXYYFA-QZTJIDSGSA-N 2 2 347.503 1.922 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637288115 451781548 /nfs/dbraw/zinc/78/15/48/451781548.db2.gz DIDUTFSWFKLNHB-HOTGVXAUSA-N 2 2 325.416 1.382 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637288115 451781550 /nfs/dbraw/zinc/78/15/50/451781550.db2.gz DIDUTFSWFKLNHB-HOTGVXAUSA-N 2 2 325.416 1.382 20 0 EDADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)C1CC1 ZINC000639175193 451786394 /nfs/dbraw/zinc/78/63/94/451786394.db2.gz INTIWRYATWNADX-IBGZPJMESA-N 2 2 334.460 1.600 20 0 EDADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](O)C1CC1 ZINC000639175193 451786396 /nfs/dbraw/zinc/78/63/96/451786396.db2.gz INTIWRYATWNADX-IBGZPJMESA-N 2 2 334.460 1.600 20 0 EDADLP C[N@@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000641261600 451797289 /nfs/dbraw/zinc/79/72/89/451797289.db2.gz ZODQTZVFSLOOLE-INIZCTEOSA-N 2 2 334.445 1.202 20 0 EDADLP C[N@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000641261600 451797291 /nfs/dbraw/zinc/79/72/91/451797291.db2.gz ZODQTZVFSLOOLE-INIZCTEOSA-N 2 2 334.445 1.202 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCn3c[nH+]cc3C2)nc(C(C)C)[nH+]1 ZINC000637412051 451839696 /nfs/dbraw/zinc/83/96/96/451839696.db2.gz XPPZOYXIIWMDRC-UHFFFAOYSA-N 2 2 343.435 1.742 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000653274678 451808915 /nfs/dbraw/zinc/80/89/15/451808915.db2.gz MKDNHOSOMGCWMH-OAHLLOKOSA-N 2 2 335.448 1.127 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000653298287 451827885 /nfs/dbraw/zinc/82/78/85/451827885.db2.gz BENOLECLLVDOET-HOCLYGCPSA-N 2 2 349.475 1.864 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000653298287 451827889 /nfs/dbraw/zinc/82/78/89/451827889.db2.gz BENOLECLLVDOET-HOCLYGCPSA-N 2 2 349.475 1.864 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000653346848 451858430 /nfs/dbraw/zinc/85/84/30/451858430.db2.gz JPQXUWOQHPXSKY-LBPRGKRZSA-N 2 2 337.424 1.486 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)nc(C(C)C)[nH+]1 ZINC000639445582 451871744 /nfs/dbraw/zinc/87/17/44/451871744.db2.gz AJOWXIZEAKPWGS-HNNXBMFYSA-N 2 2 341.463 1.809 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2ccc(Cl)c3ccccc23)[C@@H](C[NH3+])C1 ZINC000646835601 451873360 /nfs/dbraw/zinc/87/33/60/451873360.db2.gz PHVGWLMMHBRMOK-ZDUSSCGKSA-N 2 2 347.846 1.973 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2ccc(Cl)c3ccccc23)[C@@H](C[NH3+])C1 ZINC000646835601 451873366 /nfs/dbraw/zinc/87/33/66/451873366.db2.gz PHVGWLMMHBRMOK-ZDUSSCGKSA-N 2 2 347.846 1.973 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000644579867 451873888 /nfs/dbraw/zinc/87/38/88/451873888.db2.gz USMKMMZXSCSKQO-BGTYHANMSA-N 2 2 331.460 1.078 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000644579867 451873894 /nfs/dbraw/zinc/87/38/94/451873894.db2.gz USMKMMZXSCSKQO-BGTYHANMSA-N 2 2 331.460 1.078 20 0 EDADLP Cc1cc(N2CCC([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000644585093 451879044 /nfs/dbraw/zinc/87/90/44/451879044.db2.gz GDJMMSAFYMZEJY-KRWDZBQOSA-N 3 2 333.480 1.107 20 0 EDADLP Cc1cc(N2CCC([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000644585093 451879049 /nfs/dbraw/zinc/87/90/49/451879049.db2.gz GDJMMSAFYMZEJY-KRWDZBQOSA-N 3 2 333.480 1.107 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCN(C4CCC4)C3=O)CC2)c1 ZINC000639475947 451886454 /nfs/dbraw/zinc/88/64/54/451886454.db2.gz WVMOEGKKDPPKPQ-MRXNPFEDSA-N 2 2 330.432 1.366 20 0 EDADLP CC(C)CC[NH+]1CCC(CNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641372307 451905661 /nfs/dbraw/zinc/90/56/61/451905661.db2.gz PAKXOYYJNCRYOY-UHFFFAOYSA-N 2 2 342.509 1.561 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1c[nH+]c2n1CCCC2 ZINC000644643342 451913291 /nfs/dbraw/zinc/91/32/91/451913291.db2.gz QHANKSNTYVWIIH-GOSISDBHSA-N 2 2 328.460 1.802 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)CNCc1c[nH+]c2n1CCCC2 ZINC000644643342 451913293 /nfs/dbraw/zinc/91/32/93/451913293.db2.gz QHANKSNTYVWIIH-GOSISDBHSA-N 2 2 328.460 1.802 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c(OC)n1 ZINC000644651406 451918081 /nfs/dbraw/zinc/91/80/81/451918081.db2.gz CGAANVGNMDHPBY-QGZVFWFLSA-N 2 2 345.443 1.681 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c(OC)n1 ZINC000644651406 451918087 /nfs/dbraw/zinc/91/80/87/451918087.db2.gz CGAANVGNMDHPBY-QGZVFWFLSA-N 2 2 345.443 1.681 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@@H]1COc2ccccc2O1 ZINC000639549870 451940604 /nfs/dbraw/zinc/94/06/04/451940604.db2.gz ILPKLSIZEOUJIN-QGZVFWFLSA-N 2 2 333.476 1.784 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@@H]1COc2ccccc2O1 ZINC000639549870 451940610 /nfs/dbraw/zinc/94/06/10/451940610.db2.gz ILPKLSIZEOUJIN-QGZVFWFLSA-N 2 2 333.476 1.784 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)[C@H]1C[NH2+]CCC1(F)F ZINC000649289222 451965134 /nfs/dbraw/zinc/96/51/34/451965134.db2.gz CBOWFWPATHHOIR-CQSZACIVSA-N 2 2 338.402 1.933 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000649281361 451952431 /nfs/dbraw/zinc/95/24/31/451952431.db2.gz BDNZGNLATKNZKZ-KSZLIROESA-N 2 2 331.460 1.551 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3nc(CC4CC4)no3)CC2)CC1 ZINC000639582883 451955576 /nfs/dbraw/zinc/95/55/76/451955576.db2.gz GSCFLMOQWKCTHE-UHFFFAOYSA-N 2 2 347.507 1.872 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000649295913 451970771 /nfs/dbraw/zinc/97/07/71/451970771.db2.gz FZXOTGMLFDAGHF-OKZBNKHCSA-N 2 2 331.460 1.551 20 0 EDADLP CCCCc1[nH]c2ccc(NC(=O)[C@@]3([NH3+])CCN(C(C)=O)C3)cc2[nH+]1 ZINC000649297609 451974838 /nfs/dbraw/zinc/97/48/38/451974838.db2.gz HJXAXLXDXSUZQD-GOSISDBHSA-N 2 2 343.431 1.794 20 0 EDADLP O[C@@]1(C[N@@H+]2CC[C@H](OC(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639626910 451983666 /nfs/dbraw/zinc/98/36/66/451983666.db2.gz BNDXUORICKJFQK-DOTOQJQBSA-N 2 2 326.387 1.937 20 0 EDADLP O[C@@]1(C[N@H+]2CC[C@H](OC(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639626910 451983670 /nfs/dbraw/zinc/98/36/70/451983670.db2.gz BNDXUORICKJFQK-DOTOQJQBSA-N 2 2 326.387 1.937 20 0 EDADLP O[C@@]1(C[NH+]2CC[C@H](OC(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639626910 451983673 /nfs/dbraw/zinc/98/36/73/451983673.db2.gz BNDXUORICKJFQK-DOTOQJQBSA-N 2 2 326.387 1.937 20 0 EDADLP O[C@@]1(C[NH+]2CC[C@H](OC(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639626910 451983678 /nfs/dbraw/zinc/98/36/78/451983678.db2.gz BNDXUORICKJFQK-DOTOQJQBSA-N 2 2 326.387 1.937 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)s1 ZINC000649319651 451998775 /nfs/dbraw/zinc/99/87/75/451998775.db2.gz NZPGNYBGTSGICU-CQSZACIVSA-N 2 2 337.489 1.191 20 0 EDADLP Cn1ncc2c1CCC[N@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000639672745 452013508 /nfs/dbraw/zinc/01/35/08/452013508.db2.gz IDALFZFJUMWEHT-HXUWFJFHSA-N 2 2 340.471 1.805 20 0 EDADLP Cn1ncc2c1CCC[N@@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000639672745 452013511 /nfs/dbraw/zinc/01/35/11/452013511.db2.gz IDALFZFJUMWEHT-HXUWFJFHSA-N 2 2 340.471 1.805 20 0 EDADLP Cn1ncc2c1CCC[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000639672745 452013514 /nfs/dbraw/zinc/01/35/14/452013514.db2.gz IDALFZFJUMWEHT-HXUWFJFHSA-N 2 2 340.471 1.805 20 0 EDADLP Cn1ncc2c1CCC[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000639672745 452013518 /nfs/dbraw/zinc/01/35/18/452013518.db2.gz IDALFZFJUMWEHT-HXUWFJFHSA-N 2 2 340.471 1.805 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000649345261 452025889 /nfs/dbraw/zinc/02/58/89/452025889.db2.gz SDQKWRQKJJKACQ-CZUORRHYSA-N 2 2 337.851 1.521 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000643077551 452034855 /nfs/dbraw/zinc/03/48/55/452034855.db2.gz STUKTRZUSXNPLP-CVXDAYKESA-N 2 2 339.430 1.988 20 0 EDADLP CNC(=O)c1cc(O[C@H]2CCC[N@H+](CCn3cc[nH+]c3C)C2)ccn1 ZINC000639702501 452039609 /nfs/dbraw/zinc/03/96/09/452039609.db2.gz RYQFBRUQIBZWSM-INIZCTEOSA-N 2 2 343.431 1.490 20 0 EDADLP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CCn3cc[nH+]c3C)C2)ccn1 ZINC000639702501 452039612 /nfs/dbraw/zinc/03/96/12/452039612.db2.gz RYQFBRUQIBZWSM-INIZCTEOSA-N 2 2 343.431 1.490 20 0 EDADLP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625569 452046653 /nfs/dbraw/zinc/04/66/53/452046653.db2.gz JGQRBCNKFZCDGP-FQEVSTJZSA-N 3 2 342.487 1.922 20 0 EDADLP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625569 452046659 /nfs/dbraw/zinc/04/66/59/452046659.db2.gz JGQRBCNKFZCDGP-FQEVSTJZSA-N 3 2 342.487 1.922 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000653625569 452046663 /nfs/dbraw/zinc/04/66/63/452046663.db2.gz JGQRBCNKFZCDGP-FQEVSTJZSA-N 3 2 342.487 1.922 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000653625569 452046672 /nfs/dbraw/zinc/04/66/72/452046672.db2.gz JGQRBCNKFZCDGP-FQEVSTJZSA-N 3 2 342.487 1.922 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000649415249 452078778 /nfs/dbraw/zinc/07/87/78/452078778.db2.gz RNAQYOKDXPMWLU-OAGGEKHMSA-N 2 2 331.464 1.298 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000649415249 452078782 /nfs/dbraw/zinc/07/87/82/452078782.db2.gz RNAQYOKDXPMWLU-OAGGEKHMSA-N 2 2 331.464 1.298 20 0 EDADLP COC[C@H](C)[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643230280 452084920 /nfs/dbraw/zinc/08/49/20/452084920.db2.gz GLUHXBIIRYERSJ-UXLLHSPISA-N 2 2 325.497 1.532 20 0 EDADLP COC[C@H](C)[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643230280 452084924 /nfs/dbraw/zinc/08/49/24/452084924.db2.gz GLUHXBIIRYERSJ-UXLLHSPISA-N 2 2 325.497 1.532 20 0 EDADLP OC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000637811631 452096005 /nfs/dbraw/zinc/09/60/05/452096005.db2.gz QCSGUELNFCPNLQ-GOSISDBHSA-N 2 2 334.460 1.602 20 0 EDADLP OC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000637811631 452096012 /nfs/dbraw/zinc/09/60/12/452096012.db2.gz QCSGUELNFCPNLQ-GOSISDBHSA-N 2 2 334.460 1.602 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651838605 452108220 /nfs/dbraw/zinc/10/82/20/452108220.db2.gz AUHWZSNZCZYELJ-CQSZACIVSA-N 2 2 334.464 1.066 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651838605 452108224 /nfs/dbraw/zinc/10/82/24/452108224.db2.gz AUHWZSNZCZYELJ-CQSZACIVSA-N 2 2 334.464 1.066 20 0 EDADLP Cc1[nH+]cn(-c2ccc(NC(=O)CN3CC[NH+](C)CC3)cc2)c1C ZINC000643322702 452131920 /nfs/dbraw/zinc/13/19/20/452131920.db2.gz RKXOZOPWPZAYOG-UHFFFAOYSA-N 2 2 327.432 1.675 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639809659 452145908 /nfs/dbraw/zinc/14/59/08/452145908.db2.gz KYMQWTLPVCCDPN-AWEZNQCLSA-N 2 2 327.494 1.134 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639809659 452145912 /nfs/dbraw/zinc/14/59/12/452145912.db2.gz KYMQWTLPVCCDPN-AWEZNQCLSA-N 2 2 327.494 1.134 20 0 EDADLP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000651912894 452162388 /nfs/dbraw/zinc/16/23/88/452162388.db2.gz HNTWZRGFUQFQGB-SJORKVTESA-N 2 2 333.480 1.618 20 0 EDADLP CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000651912894 452162391 /nfs/dbraw/zinc/16/23/91/452162391.db2.gz HNTWZRGFUQFQGB-SJORKVTESA-N 2 2 333.480 1.618 20 0 EDADLP O=C1CC[C@@H](C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)N1 ZINC000649612164 452167916 /nfs/dbraw/zinc/16/79/16/452167916.db2.gz WZTINEQFJQCFKU-LSDHHAIUSA-N 2 2 330.432 1.414 20 0 EDADLP O=C1CC[C@@H](C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)N1 ZINC000649612164 452167923 /nfs/dbraw/zinc/16/79/23/452167923.db2.gz WZTINEQFJQCFKU-LSDHHAIUSA-N 2 2 330.432 1.414 20 0 EDADLP C[NH+]1CCN(c2ccc(NCc3ccc4[nH]c(=O)[nH]c4c3)[nH+]c2)CC1 ZINC000641709247 452212737 /nfs/dbraw/zinc/21/27/37/452212737.db2.gz IHVCSDFJWHHOJK-UHFFFAOYSA-N 2 2 338.415 2.027 20 0 EDADLP Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc(C2CC2)[nH+]1 ZINC000641719037 452217166 /nfs/dbraw/zinc/21/71/66/452217166.db2.gz JQZPQRRSHSXYAV-QGZVFWFLSA-N 2 2 345.491 1.871 20 0 EDADLP Cc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc(C2CC2)[nH+]1 ZINC000641719037 452217172 /nfs/dbraw/zinc/21/71/72/452217172.db2.gz JQZPQRRSHSXYAV-QGZVFWFLSA-N 2 2 345.491 1.871 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC3CC[NH+](C)CC3)cn21 ZINC000645266301 452244389 /nfs/dbraw/zinc/24/43/89/452244389.db2.gz VLBKGWXZAVSVFL-UHFFFAOYSA-N 2 2 329.448 1.826 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000641786397 452259296 /nfs/dbraw/zinc/25/92/96/452259296.db2.gz QBZQNPQJBZKVFP-KZNAEPCWSA-N 2 2 339.524 1.576 20 0 EDADLP CC(C)n1nccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786863 452259827 /nfs/dbraw/zinc/25/98/27/452259827.db2.gz IFNYIMQPOQDHTK-QGZVFWFLSA-N 2 2 335.496 1.350 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)CC1 ZINC000649795888 452260646 /nfs/dbraw/zinc/26/06/46/452260646.db2.gz YOASZXLDUFNXHI-QGZVFWFLSA-N 2 2 333.451 1.997 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)CC1 ZINC000649795888 452260653 /nfs/dbraw/zinc/26/06/53/452260653.db2.gz YOASZXLDUFNXHI-QGZVFWFLSA-N 2 2 333.451 1.997 20 0 EDADLP CC(C)Cn1nccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786448 452261217 /nfs/dbraw/zinc/26/12/17/452261217.db2.gz AODGUODZNINFSM-SFHVURJKSA-N 2 2 349.523 1.425 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000645288345 452267432 /nfs/dbraw/zinc/26/74/32/452267432.db2.gz PVBCXXXEAFSMSH-YOEHRIQHSA-N 2 2 344.459 1.204 20 0 EDADLP CC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[C@H]1[NH3+] ZINC000643503586 452268524 /nfs/dbraw/zinc/26/85/24/452268524.db2.gz GYPAKBDRSQOORE-MGPQQGTHSA-N 2 2 333.436 1.049 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc2c(s1)CCCC2 ZINC000647539473 452272171 /nfs/dbraw/zinc/27/21/71/452272171.db2.gz GILKOYKEINPHIW-ZDUSSCGKSA-N 2 2 336.505 1.841 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc2c(s1)CCCC2 ZINC000647539473 452272182 /nfs/dbraw/zinc/27/21/82/452272182.db2.gz GILKOYKEINPHIW-ZDUSSCGKSA-N 2 2 336.505 1.841 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000659428860 452272489 /nfs/dbraw/zinc/27/24/89/452272489.db2.gz HJIYVPZAAAZXPU-KRWDZBQOSA-N 2 2 348.491 1.747 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000659429529 452274501 /nfs/dbraw/zinc/27/45/01/452274501.db2.gz RUJJITOYUVPXIA-MRXNPFEDSA-N 2 2 334.464 1.439 20 0 EDADLP [NH3+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C2CC3CC(C2)CC1C3 ZINC000655480114 452276257 /nfs/dbraw/zinc/27/62/57/452276257.db2.gz OGYBECPZQNMNEL-WFBUYENLSA-N 2 2 328.460 1.715 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1(C)C ZINC000641812865 452292912 /nfs/dbraw/zinc/29/29/12/452292912.db2.gz NLXBAXRRUONUNH-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1(C)C ZINC000641812865 452292921 /nfs/dbraw/zinc/29/29/21/452292921.db2.gz NLXBAXRRUONUNH-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](CNC(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000641833154 452315033 /nfs/dbraw/zinc/31/50/33/452315033.db2.gz DINSODQNAHNMAK-KFWWJZLASA-N 2 2 326.485 1.220 20 0 EDADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000641833154 452315043 /nfs/dbraw/zinc/31/50/43/452315043.db2.gz DINSODQNAHNMAK-KFWWJZLASA-N 2 2 326.485 1.220 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](C)C(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000641833154 452315054 /nfs/dbraw/zinc/31/50/54/452315054.db2.gz DINSODQNAHNMAK-KFWWJZLASA-N 2 2 326.485 1.220 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](C)C(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000641833154 452315067 /nfs/dbraw/zinc/31/50/67/452315067.db2.gz DINSODQNAHNMAK-KFWWJZLASA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000661510289 452317223 /nfs/dbraw/zinc/31/72/23/452317223.db2.gz YQRAGCHOKXHVMP-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000661510289 452317231 /nfs/dbraw/zinc/31/72/31/452317231.db2.gz YQRAGCHOKXHVMP-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP C[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000665754720 452321508 /nfs/dbraw/zinc/32/15/08/452321508.db2.gz YCXZVRFBMVCRSF-MRXNPFEDSA-N 2 2 341.459 1.879 20 0 EDADLP C[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000665754720 452321518 /nfs/dbraw/zinc/32/15/18/452321518.db2.gz YCXZVRFBMVCRSF-MRXNPFEDSA-N 2 2 341.459 1.879 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC/C=C/C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000641865192 452330893 /nfs/dbraw/zinc/33/08/93/452330893.db2.gz RIAAVZCZQAMKGJ-SNAWJCMRSA-N 2 2 332.452 1.255 20 0 EDADLP Cc1ncc([C@H](C)[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000638055087 452338888 /nfs/dbraw/zinc/33/88/88/452338888.db2.gz ZIDXPMJVWWDGFJ-QILLFSRXSA-N 2 2 347.507 1.491 20 0 EDADLP Cc1ncc([C@H](C)[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000638055087 452338898 /nfs/dbraw/zinc/33/88/98/452338898.db2.gz ZIDXPMJVWWDGFJ-QILLFSRXSA-N 2 2 347.507 1.491 20 0 EDADLP Cc1ncc([C@H](C)[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000638055087 452338905 /nfs/dbraw/zinc/33/89/05/452338905.db2.gz ZIDXPMJVWWDGFJ-QILLFSRXSA-N 2 2 347.507 1.491 20 0 EDADLP Cc1ncc([C@H](C)[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000638055087 452338914 /nfs/dbraw/zinc/33/89/14/452338914.db2.gz ZIDXPMJVWWDGFJ-QILLFSRXSA-N 2 2 347.507 1.491 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000641910052 452343677 /nfs/dbraw/zinc/34/36/77/452343677.db2.gz SMYCYDYKBYYLTH-VQFNDLOPSA-N 2 2 343.475 1.547 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000645374085 452352610 /nfs/dbraw/zinc/35/26/10/452352610.db2.gz WALSTWIGYQMLNN-GOEBONIOSA-N 2 2 332.448 1.442 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659506245 452372132 /nfs/dbraw/zinc/37/21/32/452372132.db2.gz ZPOYKDQQICUPOW-GOSISDBHSA-N 2 2 347.507 1.101 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659506245 452372140 /nfs/dbraw/zinc/37/21/40/452372140.db2.gz ZPOYKDQQICUPOW-GOSISDBHSA-N 2 2 347.507 1.101 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[NH+]1CCSCC1 ZINC000638069323 452372582 /nfs/dbraw/zinc/37/25/82/452372582.db2.gz NZPHZLYLSQEWCY-GOEBONIOSA-N 2 2 337.489 1.084 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000638072639 452380799 /nfs/dbraw/zinc/38/07/99/452380799.db2.gz UFRRXJIKHGNZNE-QGZVFWFLSA-N 2 2 342.443 1.457 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000638077485 452390148 /nfs/dbraw/zinc/39/01/48/452390148.db2.gz SJPQURIGDLZFMK-ROUUACIJSA-N 2 2 329.444 1.532 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652194566 452391982 /nfs/dbraw/zinc/39/19/82/452391982.db2.gz UOGHYJVNRBRADF-QRTARXTBSA-N 2 2 348.447 1.518 20 0 EDADLP COc1cccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)c2[nH+]ccn2C)c1 ZINC000654426038 452480798 /nfs/dbraw/zinc/48/07/98/452480798.db2.gz BWBMXTRBTTVEPD-KSSFIOAISA-N 2 2 342.443 1.976 20 0 EDADLP COc1cccc([C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)c2[nH+]ccn2C)c1 ZINC000654426038 452480805 /nfs/dbraw/zinc/48/08/05/452480805.db2.gz BWBMXTRBTTVEPD-KSSFIOAISA-N 2 2 342.443 1.976 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000659637873 452500957 /nfs/dbraw/zinc/50/09/57/452500957.db2.gz HCBKAMQJDBKXFL-CQSZACIVSA-N 2 2 334.468 1.348 20 0 EDADLP Cc1ccn2cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc2c1 ZINC000663772212 452501084 /nfs/dbraw/zinc/50/10/84/452501084.db2.gz XMLDNJLLNFPAIQ-UHFFFAOYSA-N 2 2 346.479 1.325 20 0 EDADLP Cc1ccn2cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)nc2c1 ZINC000663772212 452501089 /nfs/dbraw/zinc/50/10/89/452501089.db2.gz XMLDNJLLNFPAIQ-UHFFFAOYSA-N 2 2 346.479 1.325 20 0 EDADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752794 452501792 /nfs/dbraw/zinc/50/17/92/452501792.db2.gz RKVSSNOMTBJNOO-GFCCVEGCSA-N 2 2 332.370 1.782 20 0 EDADLP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000655682197 452508839 /nfs/dbraw/zinc/50/88/39/452508839.db2.gz BAAHZTLWMDZTBX-MRXNPFEDSA-N 2 2 333.480 1.738 20 0 EDADLP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000655708767 452525933 /nfs/dbraw/zinc/52/59/33/452525933.db2.gz OHABYRPDVJLQIS-IEBWSBKVSA-N 3 2 338.540 1.103 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)C2 ZINC000652352089 452529072 /nfs/dbraw/zinc/52/90/72/452529072.db2.gz DINTTZAMVYRMQI-KSSFIOAISA-N 2 2 331.464 1.998 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)C2 ZINC000652352089 452529083 /nfs/dbraw/zinc/52/90/83/452529083.db2.gz DINTTZAMVYRMQI-KSSFIOAISA-N 2 2 331.464 1.998 20 0 EDADLP C[C@H]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000655713666 452531582 /nfs/dbraw/zinc/53/15/82/452531582.db2.gz RRFVABQOEMHUCQ-HOTGVXAUSA-N 2 2 348.516 1.994 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1 ZINC000652356810 452534726 /nfs/dbraw/zinc/53/47/26/452534726.db2.gz IUKNJSOZRQBWMM-SJLPKXTDSA-N 2 2 349.475 1.387 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1 ZINC000652356810 452534735 /nfs/dbraw/zinc/53/47/35/452534735.db2.gz IUKNJSOZRQBWMM-SJLPKXTDSA-N 2 2 349.475 1.387 20 0 EDADLP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000655725832 452539333 /nfs/dbraw/zinc/53/93/33/452539333.db2.gz MZMWLXHKYLSCDC-SJLPKXTDSA-N 3 2 325.497 1.188 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814153 452543270 /nfs/dbraw/zinc/54/32/70/452543270.db2.gz ADUHWGZCXZKPQK-UHFFFAOYSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814153 452543278 /nfs/dbraw/zinc/54/32/78/452543278.db2.gz ADUHWGZCXZKPQK-UHFFFAOYSA-N 2 2 331.460 1.870 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647815102 452547048 /nfs/dbraw/zinc/54/70/48/452547048.db2.gz PCGHIHOTOQXZAM-LJQANCHMSA-N 3 2 344.503 1.622 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647815102 452547057 /nfs/dbraw/zinc/54/70/57/452547057.db2.gz PCGHIHOTOQXZAM-LJQANCHMSA-N 3 2 344.503 1.622 20 0 EDADLP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)n(C)n1 ZINC000655761908 452564525 /nfs/dbraw/zinc/56/45/25/452564525.db2.gz QNOKKNAXNCIEDG-ZWKOTPCHSA-N 2 2 347.507 1.540 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654506154 452581776 /nfs/dbraw/zinc/58/17/76/452581776.db2.gz PCXQGPAHOLRCKE-ZACQAIPSSA-N 2 2 343.475 1.976 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H](C)O1 ZINC000661857514 452635942 /nfs/dbraw/zinc/63/59/42/452635942.db2.gz OUAALEIXGMFYAM-CVEARBPZSA-N 2 2 335.448 1.423 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H](C)O1 ZINC000661857514 452635947 /nfs/dbraw/zinc/63/59/47/452635947.db2.gz OUAALEIXGMFYAM-CVEARBPZSA-N 2 2 335.448 1.423 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000647899253 452641460 /nfs/dbraw/zinc/64/14/60/452641460.db2.gz DZTRFXNZCFUYJW-CVEARBPZSA-N 2 2 345.443 1.496 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000647899253 452641466 /nfs/dbraw/zinc/64/14/66/452641466.db2.gz DZTRFXNZCFUYJW-CVEARBPZSA-N 2 2 345.443 1.496 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647926602 452664374 /nfs/dbraw/zinc/66/43/74/452664374.db2.gz GKFMYCPKBBHNJU-ZDUSSCGKSA-N 2 2 335.448 1.522 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@H]1[NH3+] ZINC000647937886 452679917 /nfs/dbraw/zinc/67/99/17/452679917.db2.gz DKKMYXYZIHUVRJ-HUUCEWRRSA-N 2 2 344.459 1.811 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@H]1[NH3+] ZINC000647937886 452679925 /nfs/dbraw/zinc/67/99/25/452679925.db2.gz DKKMYXYZIHUVRJ-HUUCEWRRSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000659818579 452706356 /nfs/dbraw/zinc/70/63/56/452706356.db2.gz ZRJUQQCHFASVRA-ROUUACIJSA-N 2 2 336.524 1.204 20 0 EDADLP FC(F)(F)Cn1nnnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977967 452724393 /nfs/dbraw/zinc/72/43/93/452724393.db2.gz KGKYUXKLEPZFDQ-VXGBXAGGSA-N 2 2 332.374 1.447 20 0 EDADLP FC(F)(F)Cn1nnnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977967 452724399 /nfs/dbraw/zinc/72/43/99/452724399.db2.gz KGKYUXKLEPZFDQ-VXGBXAGGSA-N 2 2 332.374 1.447 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000661983808 452739683 /nfs/dbraw/zinc/73/96/83/452739683.db2.gz YJWMSCOCQBXKHR-INIZCTEOSA-N 2 2 347.463 1.552 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000664078213 452772991 /nfs/dbraw/zinc/77/29/91/452772991.db2.gz YEEQDXQHTVXDTN-INIZCTEOSA-N 3 2 327.517 1.044 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000664078213 452772996 /nfs/dbraw/zinc/77/29/96/452772996.db2.gz YEEQDXQHTVXDTN-INIZCTEOSA-N 3 2 327.517 1.044 20 0 EDADLP CC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664078213 452773002 /nfs/dbraw/zinc/77/30/02/452773002.db2.gz YEEQDXQHTVXDTN-INIZCTEOSA-N 3 2 327.517 1.044 20 0 EDADLP CC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664078213 452773012 /nfs/dbraw/zinc/77/30/12/452773012.db2.gz YEEQDXQHTVXDTN-INIZCTEOSA-N 3 2 327.517 1.044 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000654662452 452777282 /nfs/dbraw/zinc/77/72/82/452777282.db2.gz OVVCXLIDQZEDLU-WOVMCDHWSA-N 2 2 331.464 1.249 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H]2COC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662035660 452788077 /nfs/dbraw/zinc/78/80/77/452788077.db2.gz GJZCJCWFVSSUGV-IAGOWNOFSA-N 2 2 344.459 1.089 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H]2COC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662035660 452788086 /nfs/dbraw/zinc/78/80/86/452788086.db2.gz GJZCJCWFVSSUGV-IAGOWNOFSA-N 2 2 344.459 1.089 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000664133069 452814195 /nfs/dbraw/zinc/81/41/95/452814195.db2.gz QTKPGTWRBUJCJS-JKSUJKDBSA-N 2 2 345.491 1.653 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000664133069 452814205 /nfs/dbraw/zinc/81/42/05/452814205.db2.gz QTKPGTWRBUJCJS-JKSUJKDBSA-N 2 2 345.491 1.653 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000664133067 452814855 /nfs/dbraw/zinc/81/48/55/452814855.db2.gz QTKPGTWRBUJCJS-HOTGVXAUSA-N 2 2 345.491 1.653 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000664133067 452814863 /nfs/dbraw/zinc/81/48/63/452814863.db2.gz QTKPGTWRBUJCJS-HOTGVXAUSA-N 2 2 345.491 1.653 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)CO1 ZINC000664150731 452824489 /nfs/dbraw/zinc/82/44/89/452824489.db2.gz ATEWETWSIRXIQX-XHSDSOJGSA-N 2 2 342.528 1.761 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)CO1 ZINC000664150731 452824493 /nfs/dbraw/zinc/82/44/93/452824493.db2.gz ATEWETWSIRXIQX-XHSDSOJGSA-N 2 2 342.528 1.761 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(-n2cnnn2)c1 ZINC000658292202 452833780 /nfs/dbraw/zinc/83/37/80/452833780.db2.gz QMLDBWHRPJUJPN-RDTXWAMCSA-N 2 2 342.447 1.566 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1[nH+]ccn1C ZINC000662097638 452841228 /nfs/dbraw/zinc/84/12/28/452841228.db2.gz CLENAVJAMIKYNG-CFVMTHIKSA-N 2 2 335.452 1.158 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000662102869 452843854 /nfs/dbraw/zinc/84/38/54/452843854.db2.gz ZIXKBJOJGNVHBS-CQSZACIVSA-N 2 2 337.468 1.670 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658342507 452856115 /nfs/dbraw/zinc/85/61/15/452856115.db2.gz NUHYOLQFCKBJJG-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658342507 452856125 /nfs/dbraw/zinc/85/61/25/452856125.db2.gz NUHYOLQFCKBJJG-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658342507 452856137 /nfs/dbraw/zinc/85/61/37/452856137.db2.gz NUHYOLQFCKBJJG-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658342507 452856149 /nfs/dbraw/zinc/85/61/49/452856149.db2.gz NUHYOLQFCKBJJG-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC[NH+]1C ZINC000658342507 452856161 /nfs/dbraw/zinc/85/61/61/452856161.db2.gz NUHYOLQFCKBJJG-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC[NH+]1C ZINC000658342507 452856171 /nfs/dbraw/zinc/85/61/71/452856171.db2.gz NUHYOLQFCKBJJG-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000648161752 452872512 /nfs/dbraw/zinc/87/25/12/452872512.db2.gz ZLASGHFWYFRSFT-ZBFHGGJFSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)COC2(C)C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000648161752 452872520 /nfs/dbraw/zinc/87/25/20/452872520.db2.gz ZLASGHFWYFRSFT-ZBFHGGJFSA-N 2 2 339.386 1.205 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000648174661 452884441 /nfs/dbraw/zinc/88/44/41/452884441.db2.gz ZQUKFPTYBFCNJZ-KFWWJZLASA-N 2 2 332.448 1.502 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662158277 452897428 /nfs/dbraw/zinc/89/74/28/452897428.db2.gz VFKJJLVOIDBCHL-YFHUEUNASA-N 2 2 337.508 1.695 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662158277 452897432 /nfs/dbraw/zinc/89/74/32/452897432.db2.gz VFKJJLVOIDBCHL-YFHUEUNASA-N 2 2 337.508 1.695 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662162044 452901639 /nfs/dbraw/zinc/90/16/39/452901639.db2.gz YXAOEMWHUSCAEK-RTBURBONSA-N 2 2 348.487 1.574 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662162044 452901646 /nfs/dbraw/zinc/90/16/46/452901646.db2.gz YXAOEMWHUSCAEK-RTBURBONSA-N 2 2 348.487 1.574 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000645968929 452954142 /nfs/dbraw/zinc/95/41/42/452954142.db2.gz JBDWIBLOAWXFFT-RYQLBKOJSA-N 2 2 331.460 1.044 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)C(C)C ZINC000664285274 452966537 /nfs/dbraw/zinc/96/65/37/452966537.db2.gz FIVDILCJBRXOIA-IAGOWNOFSA-N 2 2 342.528 1.904 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)C(C)C ZINC000664285274 452966543 /nfs/dbraw/zinc/96/65/43/452966543.db2.gz FIVDILCJBRXOIA-IAGOWNOFSA-N 2 2 342.528 1.904 20 0 EDADLP CN(C(=O)N[C@@H]1COCC1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656220785 452970520 /nfs/dbraw/zinc/97/05/20/452970520.db2.gz RNGCKZQQHUQADM-JKSUJKDBSA-N 2 2 338.496 1.221 20 0 EDADLP CN(C(=O)N[C@@H]1COCC1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656220785 452970524 /nfs/dbraw/zinc/97/05/24/452970524.db2.gz RNGCKZQQHUQADM-JKSUJKDBSA-N 2 2 338.496 1.221 20 0 EDADLP O=C(c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248831 452973750 /nfs/dbraw/zinc/97/37/50/452973750.db2.gz KJSPMNGFZMSKIC-INIZCTEOSA-N 2 2 349.862 1.619 20 0 EDADLP CCN(CC)C(=O)C1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCCCC1 ZINC000660074355 452991681 /nfs/dbraw/zinc/99/16/81/452991681.db2.gz NBBUIHUCSSPKQK-MRXNPFEDSA-N 2 2 327.513 1.848 20 0 EDADLP CCN(CC)C(=O)C1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCCCC1 ZINC000660074355 452991689 /nfs/dbraw/zinc/99/16/89/452991689.db2.gz NBBUIHUCSSPKQK-MRXNPFEDSA-N 2 2 327.513 1.848 20 0 EDADLP CCN(C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H]1CC[N@H+](CC)C1 ZINC000658466396 453001716 /nfs/dbraw/zinc/00/17/16/453001716.db2.gz AKSVWZJMWFVKLJ-OAHLLOKOSA-N 2 2 332.448 1.888 20 0 EDADLP CCN(C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000658466396 453001724 /nfs/dbraw/zinc/00/17/24/453001724.db2.gz AKSVWZJMWFVKLJ-OAHLLOKOSA-N 2 2 332.448 1.888 20 0 EDADLP Cn1ncc2c1nc(C[NH+]1CCC([C@@H]3CCC[NH2+]C3)CC1)[nH]c2=O ZINC000662290917 453014023 /nfs/dbraw/zinc/01/40/23/453014023.db2.gz AALTZCSCIUHXCD-CYBMUJFWSA-N 2 2 330.436 1.281 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+])cc1F ZINC000662298135 453020796 /nfs/dbraw/zinc/02/07/96/453020796.db2.gz VQZJKFPLCAAVRN-GFCCVEGCSA-N 2 2 325.428 1.850 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+])cc1F ZINC000662298135 453020799 /nfs/dbraw/zinc/02/07/99/453020799.db2.gz VQZJKFPLCAAVRN-GFCCVEGCSA-N 2 2 325.428 1.850 20 0 EDADLP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000662305107 453026151 /nfs/dbraw/zinc/02/61/51/453026151.db2.gz ZGWBDKPPEMJFNY-UHFFFAOYSA-N 2 2 346.450 1.288 20 0 EDADLP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000662305107 453026157 /nfs/dbraw/zinc/02/61/57/453026157.db2.gz ZGWBDKPPEMJFNY-UHFFFAOYSA-N 2 2 346.450 1.288 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000654924269 453038512 /nfs/dbraw/zinc/03/85/12/453038512.db2.gz PMRZIVFIVKGUAJ-COXVUDFISA-N 2 2 334.464 1.472 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000654924269 453038506 /nfs/dbraw/zinc/03/85/06/453038506.db2.gz PMRZIVFIVKGUAJ-COXVUDFISA-N 2 2 334.464 1.472 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)CCO1 ZINC000662322201 453041065 /nfs/dbraw/zinc/04/10/65/453041065.db2.gz RHIVLWXDAUUDBP-INIZCTEOSA-N 2 2 330.432 1.237 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)CCO1 ZINC000662322201 453041071 /nfs/dbraw/zinc/04/10/71/453041071.db2.gz RHIVLWXDAUUDBP-INIZCTEOSA-N 2 2 330.432 1.237 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc(=O)n2c1 ZINC000662322853 453041102 /nfs/dbraw/zinc/04/11/02/453041102.db2.gz UMIXSMGFLNQMSA-KRWDZBQOSA-N 2 2 344.459 1.546 20 0 EDADLP Cc1ccc2nc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc(=O)n2c1 ZINC000662322853 453041107 /nfs/dbraw/zinc/04/11/07/453041107.db2.gz UMIXSMGFLNQMSA-KRWDZBQOSA-N 2 2 344.459 1.546 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000656338770 453096926 /nfs/dbraw/zinc/09/69/26/453096926.db2.gz KXCDCZYVZNJKDK-UHFFFAOYSA-N 2 2 346.475 1.647 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000666726093 453101155 /nfs/dbraw/zinc/10/11/55/453101155.db2.gz JEBLWQCSVSJJML-NSHDSACASA-N 2 2 346.353 1.734 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccccc2OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000666726093 453101162 /nfs/dbraw/zinc/10/11/62/453101162.db2.gz JEBLWQCSVSJJML-NSHDSACASA-N 2 2 346.353 1.734 20 0 EDADLP CCC[NH2+]CCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000666734534 453105090 /nfs/dbraw/zinc/10/50/90/453105090.db2.gz VPZLBRXUPQRTBK-UHFFFAOYSA-N 2 2 347.463 1.195 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000662404051 453114063 /nfs/dbraw/zinc/11/40/63/453114063.db2.gz BMYJNQYYKRBOJM-RDJZCZTQSA-N 2 2 343.537 1.322 20 0 EDADLP C[C@@H](CO)[C@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664536988 453175984 /nfs/dbraw/zinc/17/59/84/453175984.db2.gz BQFKOSQFICJHJK-DOTOQJQBSA-N 2 2 340.512 1.205 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)C1CCOCC1 ZINC000655068431 453191089 /nfs/dbraw/zinc/19/10/89/453191089.db2.gz STULLNCZUBUHQE-GDBMZVCRSA-N 2 2 334.464 1.827 20 0 EDADLP c1c(CC[NH+]2CCOCC2)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656455421 453195758 /nfs/dbraw/zinc/19/57/58/453195758.db2.gz GPVPVEPPGLHWEH-LJQANCHMSA-N 2 2 341.459 1.600 20 0 EDADLP c1c(CC[NH+]2CCOCC2)nnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656455421 453195767 /nfs/dbraw/zinc/19/57/67/453195767.db2.gz GPVPVEPPGLHWEH-LJQANCHMSA-N 2 2 341.459 1.600 20 0 EDADLP c1c([C@@H]2COCC[NH2+]2)nnn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468815 453205495 /nfs/dbraw/zinc/20/54/95/453205495.db2.gz UAUKUJWABCNHQX-AEFFLSMTSA-N 2 2 327.432 1.461 20 0 EDADLP c1c([C@@H]2COCC[NH2+]2)nnn1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656468815 453205501 /nfs/dbraw/zinc/20/55/01/453205501.db2.gz UAUKUJWABCNHQX-AEFFLSMTSA-N 2 2 327.432 1.461 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000648719696 453207559 /nfs/dbraw/zinc/20/75/59/453207559.db2.gz IIMCPYGLXVNNNI-CVEARBPZSA-N 2 2 336.480 1.870 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000648719696 453207564 /nfs/dbraw/zinc/20/75/64/453207564.db2.gz IIMCPYGLXVNNNI-CVEARBPZSA-N 2 2 336.480 1.870 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000656474380 453208219 /nfs/dbraw/zinc/20/82/19/453208219.db2.gz TXKZMNDHRKZSKR-KBRIMQKVSA-N 2 2 345.422 1.856 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000660324315 453215254 /nfs/dbraw/zinc/21/52/54/453215254.db2.gz JNFNYPHBSQMUBG-GOSISDBHSA-N 2 2 346.475 1.364 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666892480 453219171 /nfs/dbraw/zinc/21/91/71/453219171.db2.gz PKRFPHKGTIGKIW-HZPDHXFCSA-N 2 2 326.444 1.804 20 0 EDADLP CN(C)C(=O)c1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1Cl ZINC000653068793 453247561 /nfs/dbraw/zinc/24/75/61/453247561.db2.gz RACMSLWIVZDIAK-CYBMUJFWSA-N 2 2 326.828 1.259 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000666925195 453250504 /nfs/dbraw/zinc/25/05/04/453250504.db2.gz SSRYOLMPTFOQFT-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000666925195 453250512 /nfs/dbraw/zinc/25/05/12/453250512.db2.gz SSRYOLMPTFOQFT-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCCc1cn3c([nH+]1)CCCC3)CC2 ZINC000651079800 453251651 /nfs/dbraw/zinc/25/16/51/453251651.db2.gz DKOHSJGPCKXKGU-CQSZACIVSA-N 2 2 327.432 1.646 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648779488 453261119 /nfs/dbraw/zinc/26/11/19/453261119.db2.gz RVCOQUAGMITCAC-NZSAHSFTSA-N 2 2 345.487 1.386 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000648779488 453261124 /nfs/dbraw/zinc/26/11/24/453261124.db2.gz RVCOQUAGMITCAC-NZSAHSFTSA-N 2 2 345.487 1.386 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cncc(F)c1 ZINC000664628725 453265771 /nfs/dbraw/zinc/26/57/71/453265771.db2.gz QSFDUGYNDHQEEO-ZDUSSCGKSA-N 2 2 325.432 1.464 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cncc(F)c1 ZINC000664628725 453265773 /nfs/dbraw/zinc/26/57/73/453265773.db2.gz QSFDUGYNDHQEEO-ZDUSSCGKSA-N 2 2 325.432 1.464 20 0 EDADLP COc1ccccc1-c1noc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653102321 453284559 /nfs/dbraw/zinc/28/45/59/453284559.db2.gz VIYWKHUWZBIEJB-WCQYABFASA-N 2 2 347.419 1.201 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000666971869 453288225 /nfs/dbraw/zinc/28/82/25/453288225.db2.gz JADZELUNKYQPPG-IRXDYDNUSA-N 2 2 347.463 1.483 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653108952 453293453 /nfs/dbraw/zinc/29/34/53/453293453.db2.gz NHMJZYIPFZHGBS-QFBILLFUSA-N 3 2 346.519 1.814 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653108952 453293462 /nfs/dbraw/zinc/29/34/62/453293462.db2.gz NHMJZYIPFZHGBS-QFBILLFUSA-N 3 2 346.519 1.814 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]CC3)c[nH+]2)CCO1 ZINC000653108672 453294504 /nfs/dbraw/zinc/29/45/04/453294504.db2.gz DIVGSGSCHDPYEB-GOEBONIOSA-N 2 2 332.448 1.313 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653112856 453300317 /nfs/dbraw/zinc/30/03/17/453300317.db2.gz LEGGVYNAKNUQKL-ROUUACIJSA-N 3 2 332.492 1.294 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653112856 453300326 /nfs/dbraw/zinc/30/03/26/453300326.db2.gz LEGGVYNAKNUQKL-ROUUACIJSA-N 3 2 332.492 1.294 20 0 EDADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000653115214 453303747 /nfs/dbraw/zinc/30/37/47/453303747.db2.gz GWXIJJDENHYRQZ-SJORKVTESA-N 2 2 347.438 1.386 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000653120200 453310031 /nfs/dbraw/zinc/31/00/31/453310031.db2.gz JRJPNEPNJKYREP-OAHLLOKOSA-N 3 2 342.553 1.133 20 0 EDADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653122823 453314954 /nfs/dbraw/zinc/31/49/54/453314954.db2.gz FLODUXUIECZXOW-OALUTQOASA-N 3 2 346.519 1.636 20 0 EDADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653122823 453314963 /nfs/dbraw/zinc/31/49/63/453314963.db2.gz FLODUXUIECZXOW-OALUTQOASA-N 3 2 346.519 1.636 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)c2)CC1 ZINC000653125085 453319280 /nfs/dbraw/zinc/31/92/80/453319280.db2.gz SDSHBRZAHMXIOG-RTBURBONSA-N 2 2 342.487 1.903 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000653158784 453351133 /nfs/dbraw/zinc/35/11/33/453351133.db2.gz LROBLIQHMZXBGZ-AWEZNQCLSA-N 2 2 349.410 1.204 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000656694938 453368168 /nfs/dbraw/zinc/36/81/68/453368168.db2.gz VFDZLNWTECXFDB-SFHVURJKSA-N 2 2 333.476 1.536 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000656694938 453368172 /nfs/dbraw/zinc/36/81/72/453368172.db2.gz VFDZLNWTECXFDB-SFHVURJKSA-N 2 2 333.476 1.536 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000656694938 453368184 /nfs/dbraw/zinc/36/81/84/453368184.db2.gz VFDZLNWTECXFDB-SFHVURJKSA-N 2 2 333.476 1.536 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000656694938 453368191 /nfs/dbraw/zinc/36/81/91/453368191.db2.gz VFDZLNWTECXFDB-SFHVURJKSA-N 2 2 333.476 1.536 20 0 EDADLP [NH3+]C1(CC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000662665868 453380404 /nfs/dbraw/zinc/38/04/04/453380404.db2.gz JEPSPYUUVDKGTC-UHFFFAOYSA-N 2 2 337.851 1.744 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)on1 ZINC000662694471 453414985 /nfs/dbraw/zinc/41/49/85/453414985.db2.gz QWNFRXLDPJUUBH-UHFFFAOYSA-N 2 2 334.445 1.718 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)NCC[N@H+]2CCc3sccc3C2)on1 ZINC000662694471 453414992 /nfs/dbraw/zinc/41/49/92/453414992.db2.gz QWNFRXLDPJUUBH-UHFFFAOYSA-N 2 2 334.445 1.718 20 0 EDADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000646484355 453430622 /nfs/dbraw/zinc/43/06/22/453430622.db2.gz PKJDAQPXRHIHGD-BHIYHBOVSA-N 2 2 344.503 1.526 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000662749831 453483196 /nfs/dbraw/zinc/48/31/96/453483196.db2.gz MDUGQEJZPGCKAR-UHFFFAOYSA-N 2 2 340.387 1.006 20 0 EDADLP C[NH+]1CCN(c2cc(-c3noc(Cn4cc[nH+]c4)n3)ccn2)CC1 ZINC000664929995 453494099 /nfs/dbraw/zinc/49/40/99/453494099.db2.gz OXBCCGDESLCIKS-UHFFFAOYSA-N 2 2 325.376 1.128 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000660677024 453506749 /nfs/dbraw/zinc/50/67/49/453506749.db2.gz WOHFTLJGJMZKIB-HOCLYGCPSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000660677024 453506753 /nfs/dbraw/zinc/50/67/53/453506753.db2.gz WOHFTLJGJMZKIB-HOCLYGCPSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000660677024 453506758 /nfs/dbraw/zinc/50/67/58/453506758.db2.gz WOHFTLJGJMZKIB-HOCLYGCPSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000660677024 453506764 /nfs/dbraw/zinc/50/67/64/453506764.db2.gz WOHFTLJGJMZKIB-HOCLYGCPSA-N 2 2 337.468 1.688 20 0 EDADLP CC(C)Oc1cncc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000667296438 453543341 /nfs/dbraw/zinc/54/33/41/453543341.db2.gz YMYDVQYUTQJCIA-UHFFFAOYSA-N 2 2 338.456 1.269 20 0 EDADLP CC(C)Oc1cncc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000667296438 453543346 /nfs/dbraw/zinc/54/33/46/453543346.db2.gz YMYDVQYUTQJCIA-UHFFFAOYSA-N 2 2 338.456 1.269 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000665046880 453552488 /nfs/dbraw/zinc/55/24/88/453552488.db2.gz XLKWUQACORSWFO-CABCVRRESA-N 2 2 337.468 1.716 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662850543 453570930 /nfs/dbraw/zinc/57/09/30/453570930.db2.gz PONTXRRFEJCHGY-OAHLLOKOSA-N 2 2 342.365 1.840 20 0 EDADLP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000662867664 453579856 /nfs/dbraw/zinc/57/98/56/453579856.db2.gz IKGAQJJBSJHIMA-XIRDDKMYSA-N 2 2 342.418 1.847 20 0 EDADLP CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900212 453594001 /nfs/dbraw/zinc/59/40/01/453594001.db2.gz KJYKPHOIJUFGAA-YQVWRLOYSA-N 3 2 334.508 1.003 20 0 EDADLP CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900212 453594003 /nfs/dbraw/zinc/59/40/03/453594003.db2.gz KJYKPHOIJUFGAA-YQVWRLOYSA-N 3 2 334.508 1.003 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCN(C(C)=O)CC2)cc1 ZINC000665257074 453628049 /nfs/dbraw/zinc/62/80/49/453628049.db2.gz YRXYCKLBOHSQRJ-OALUTQOASA-N 2 2 331.460 1.741 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CCO1 ZINC000662972075 453631075 /nfs/dbraw/zinc/63/10/75/453631075.db2.gz HVTLVFAHLAXKJN-BLLLJJGKSA-N 2 2 341.402 1.534 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665317839 453648137 /nfs/dbraw/zinc/64/81/37/453648137.db2.gz IPRGLKIVAKRMQJ-OAHLLOKOSA-N 2 2 346.475 1.666 20 0 EDADLP COc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000657093284 453676898 /nfs/dbraw/zinc/67/68/98/453676898.db2.gz VFWQDQIGHXPPRD-UHFFFAOYSA-N 2 2 343.493 1.165 20 0 EDADLP COc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000657093284 453676900 /nfs/dbraw/zinc/67/69/00/453676900.db2.gz VFWQDQIGHXPPRD-UHFFFAOYSA-N 2 2 343.493 1.165 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205140 453758143 /nfs/dbraw/zinc/75/81/43/453758143.db2.gz QSKKQFIHUXLFNB-HNNXBMFYSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205140 453758149 /nfs/dbraw/zinc/75/81/49/453758149.db2.gz QSKKQFIHUXLFNB-HNNXBMFYSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(c1ccncc1)N1CCC([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657319789 453764589 /nfs/dbraw/zinc/76/45/89/453764589.db2.gz NZFDWTSVSJMLPG-UHFFFAOYSA-N 2 2 325.416 1.619 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CCC(C3CCC3)CC2)CN1CC[NH+]1CCOCC1 ZINC000657366505 453776298 /nfs/dbraw/zinc/77/62/98/453776298.db2.gz HVYAEROTXVHWDB-CTWPCTMYSA-N 2 2 349.519 1.868 20 0 EDADLP CCOCC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663373058 453783118 /nfs/dbraw/zinc/78/31/18/453783118.db2.gz XHTAGHSAHJUKQY-RTBURBONSA-N 2 2 335.492 1.180 20 0 EDADLP CCOCC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663373058 453783122 /nfs/dbraw/zinc/78/31/22/453783122.db2.gz XHTAGHSAHJUKQY-RTBURBONSA-N 2 2 335.492 1.180 20 0 EDADLP C[NH2+]CCCC(=O)N1CCC([NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000663505098 453812247 /nfs/dbraw/zinc/81/22/47/453812247.db2.gz DFGPIOZGUZMNON-UHFFFAOYSA-N 3 2 332.492 1.903 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000548311704 486672872 /nfs/dbraw/zinc/67/28/72/486672872.db2.gz WSWOIEADQZSYFM-WBVHZDCISA-N 2 2 334.464 1.451 20 0 EDADLP C[NH+]1CCN(c2ccc(NC[C@@H]3CNc4ccnn4C3)[nH+]c2)CC1 ZINC000676198954 486688069 /nfs/dbraw/zinc/68/80/69/486688069.db2.gz JXCKJJGSJVRLIZ-CQSZACIVSA-N 2 2 327.436 1.184 20 0 EDADLP CN(C)c1ccc(CNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)c[nH+]1 ZINC000435347018 486699643 /nfs/dbraw/zinc/69/96/43/486699643.db2.gz WQUZPTRKWTUARH-CQSZACIVSA-N 2 2 328.420 2.141 20 0 EDADLP c1cc(C[NH+]2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)cs1 ZINC000676304576 486728111 /nfs/dbraw/zinc/72/81/11/486728111.db2.gz CBPCLCPPACIQPJ-UHFFFAOYSA-N 2 2 345.472 1.697 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1C[NH+](C)CCO1 ZINC000676333070 486738917 /nfs/dbraw/zinc/73/89/17/486738917.db2.gz JZPSVTQRQHUOGH-BMGDILEWSA-N 2 2 349.450 1.625 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@H]1C[NH+](C)CCO1 ZINC000676333070 486738924 /nfs/dbraw/zinc/73/89/24/486738924.db2.gz JZPSVTQRQHUOGH-BMGDILEWSA-N 2 2 349.450 1.625 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676333070 486738928 /nfs/dbraw/zinc/73/89/28/486738928.db2.gz JZPSVTQRQHUOGH-BMGDILEWSA-N 2 2 349.450 1.625 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676333070 486738932 /nfs/dbraw/zinc/73/89/32/486738932.db2.gz JZPSVTQRQHUOGH-BMGDILEWSA-N 2 2 349.450 1.625 20 0 EDADLP Cc1[nH+]cc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C ZINC000667569106 486850827 /nfs/dbraw/zinc/85/08/27/486850827.db2.gz AVSXMPSPQXTTKR-UHFFFAOYSA-N 2 2 330.436 1.104 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)ccc2[nH+]1 ZINC000667600625 486868160 /nfs/dbraw/zinc/86/81/60/486868160.db2.gz RWDYAEUZLKORAF-SFHVURJKSA-N 2 2 341.415 1.183 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)[nH+]1 ZINC000667635213 486889763 /nfs/dbraw/zinc/88/97/63/486889763.db2.gz LWTVMNJIWSBVFH-HZPDHXFCSA-N 2 2 344.459 1.875 20 0 EDADLP COCc1cncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680929649 486897120 /nfs/dbraw/zinc/89/71/20/486897120.db2.gz UBLYJKLSUJSOSE-MRXNPFEDSA-N 2 2 332.448 1.126 20 0 EDADLP COCc1cncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680929649 486897123 /nfs/dbraw/zinc/89/71/23/486897123.db2.gz UBLYJKLSUJSOSE-MRXNPFEDSA-N 2 2 332.448 1.126 20 0 EDADLP O=C1NCCCN1C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667670539 486906405 /nfs/dbraw/zinc/90/64/05/486906405.db2.gz RXANFDAVKJZENZ-UHFFFAOYSA-N 2 2 340.431 1.647 20 0 EDADLP CN(C(=O)NCc1ccc(O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681213217 486974668 /nfs/dbraw/zinc/97/46/68/486974668.db2.gz OYNLHACCTWWHNV-KRWDZBQOSA-N 2 2 346.475 1.702 20 0 EDADLP CN(C(=O)NCc1ccc(O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681213217 486974672 /nfs/dbraw/zinc/97/46/72/486974672.db2.gz OYNLHACCTWWHNV-KRWDZBQOSA-N 2 2 346.475 1.702 20 0 EDADLP CN(C(=O)N[C@H]1CCCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218932 486976267 /nfs/dbraw/zinc/97/62/67/486976267.db2.gz OYPCRVHRXBJAAO-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)N[C@H]1CCCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218932 486976272 /nfs/dbraw/zinc/97/62/72/486976272.db2.gz OYPCRVHRXBJAAO-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000677362702 487056462 /nfs/dbraw/zinc/05/64/62/487056462.db2.gz INNNHTXEDHUREQ-RDJZCZTQSA-N 2 2 339.443 1.796 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000677362702 487056466 /nfs/dbraw/zinc/05/64/66/487056466.db2.gz INNNHTXEDHUREQ-RDJZCZTQSA-N 2 2 339.443 1.796 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000673657728 487079622 /nfs/dbraw/zinc/07/96/22/487079622.db2.gz AISRMEZDUMKTKC-SFHVURJKSA-N 2 2 338.411 1.731 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000673657728 487079624 /nfs/dbraw/zinc/07/96/24/487079624.db2.gz AISRMEZDUMKTKC-SFHVURJKSA-N 2 2 338.411 1.731 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000673774826 487110563 /nfs/dbraw/zinc/11/05/63/487110563.db2.gz HRHFQVPHGJGLTK-HNNXBMFYSA-N 2 2 327.432 1.721 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000673774826 487110565 /nfs/dbraw/zinc/11/05/65/487110565.db2.gz HRHFQVPHGJGLTK-HNNXBMFYSA-N 2 2 327.432 1.721 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]([NH+](C)C)C3)[nH+]c12 ZINC000673781291 487112677 /nfs/dbraw/zinc/11/26/77/487112677.db2.gz QPYDSAVELRDEBP-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@H]3CCC[N@@H+]3CCCO)cc2[nH+]1 ZINC000668165088 487127445 /nfs/dbraw/zinc/12/74/45/487127445.db2.gz LTVHUKPZYQACGX-OAHLLOKOSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@H]3CCC[N@H+]3CCCO)cc2[nH+]1 ZINC000668165088 487127448 /nfs/dbraw/zinc/12/74/48/487127448.db2.gz LTVHUKPZYQACGX-OAHLLOKOSA-N 2 2 331.420 1.611 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869164 487140862 /nfs/dbraw/zinc/14/08/62/487140862.db2.gz MOGMLPAKFAQWMV-UHFFFAOYSA-N 2 2 331.424 1.227 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)[nH+]c1 ZINC000681754060 487158427 /nfs/dbraw/zinc/15/84/27/487158427.db2.gz BOZOJYKFYBSWHO-INIZCTEOSA-N 2 2 339.443 1.934 20 0 EDADLP CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000682279567 487335767 /nfs/dbraw/zinc/33/57/67/487335767.db2.gz XYSXIRJQWBJQHU-UHFFFAOYSA-N 2 2 343.431 1.611 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CCC[C@H]([NH2+]C(C)C)C3)ccc2[nH+]1 ZINC000682352307 487348906 /nfs/dbraw/zinc/34/89/06/487348906.db2.gz JOLLNXWAOZEUPY-AWEZNQCLSA-N 2 2 343.431 1.570 20 0 EDADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1OCC(=O)NC ZINC000678747560 487359679 /nfs/dbraw/zinc/35/96/79/487359679.db2.gz ZQVAUAYSPJUAEM-DOTOQJQBSA-N 2 2 349.475 1.309 20 0 EDADLP COc1ccc2c(c1)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)CCS2 ZINC000682436791 487362846 /nfs/dbraw/zinc/36/28/46/487362846.db2.gz NZSUWQUCMRBPJQ-HNNXBMFYSA-N 2 2 335.473 1.596 20 0 EDADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1F ZINC000679220914 487403456 /nfs/dbraw/zinc/40/34/56/487403456.db2.gz FNOUPCACBRMUMR-HZPDHXFCSA-N 2 2 334.439 1.800 20 0 EDADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1F ZINC000679220914 487403457 /nfs/dbraw/zinc/40/34/57/487403457.db2.gz FNOUPCACBRMUMR-HZPDHXFCSA-N 2 2 334.439 1.800 20 0 EDADLP C[C@H](C[C@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000675430213 487406903 /nfs/dbraw/zinc/40/69/03/487406903.db2.gz GUJKIPYTCUKXOQ-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[C@H]1CCOC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000675430213 487406905 /nfs/dbraw/zinc/40/69/05/487406905.db2.gz GUJKIPYTCUKXOQ-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP CCn1ccc(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000682999148 487440387 /nfs/dbraw/zinc/44/03/87/487440387.db2.gz GPNMBLUKXBZVSC-UHFFFAOYSA-N 2 2 328.464 1.682 20 0 EDADLP CCn1ccc(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000682999148 487440388 /nfs/dbraw/zinc/44/03/88/487440388.db2.gz GPNMBLUKXBZVSC-UHFFFAOYSA-N 2 2 328.464 1.682 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000675782788 487443740 /nfs/dbraw/zinc/44/37/40/487443740.db2.gz YDOJTVDRZOWOKU-OAHLLOKOSA-N 2 2 335.448 1.136 20 0 EDADLP CN(C)c1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000675899674 487457629 /nfs/dbraw/zinc/45/76/29/487457629.db2.gz IFRHTEKHTVKNES-GOSISDBHSA-N 2 2 330.476 1.491 20 0 EDADLP CN(C)c1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000675899674 487457630 /nfs/dbraw/zinc/45/76/30/487457630.db2.gz IFRHTEKHTVKNES-GOSISDBHSA-N 2 2 330.476 1.491 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c[nH+]1 ZINC000669156635 485751063 /nfs/dbraw/zinc/75/10/63/485751063.db2.gz JHRVPMXFNJLDRH-DZGCQCFKSA-N 2 2 335.452 1.185 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000668612813 485947130 /nfs/dbraw/zinc/94/71/30/485947130.db2.gz ZTWZFBBEJJEUEC-MRXNPFEDSA-N 2 2 349.479 1.016 20 0 EDADLP CCc1c[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000668638918 485981443 /nfs/dbraw/zinc/98/14/43/485981443.db2.gz CUHXYUYHOYLBDF-CQSZACIVSA-N 2 2 332.448 1.248 20 0 EDADLP CCc1c[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000668638918 485981450 /nfs/dbraw/zinc/98/14/50/485981450.db2.gz CUHXYUYHOYLBDF-CQSZACIVSA-N 2 2 332.448 1.248 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CC1 ZINC000678521678 486013304 /nfs/dbraw/zinc/01/33/04/486013304.db2.gz ZWBNUCHTHQNKIQ-UWVGGRQHSA-N 2 2 347.303 1.433 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000237914460 486017862 /nfs/dbraw/zinc/01/78/62/486017862.db2.gz HSLZVIMPGQABFA-KRWDZBQOSA-N 2 2 333.432 1.226 20 0 EDADLP Cc1ccn2cnc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000668689478 486051574 /nfs/dbraw/zinc/05/15/74/486051574.db2.gz SCKMSKGMHOKYLL-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP Cc1ccn2cnc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000668689478 486051582 /nfs/dbraw/zinc/05/15/82/486051582.db2.gz SCKMSKGMHOKYLL-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000668745290 486119403 /nfs/dbraw/zinc/11/94/03/486119403.db2.gz HWSPMTXSXDDXRY-SFHVURJKSA-N 2 2 346.475 1.460 20 0 EDADLP OC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000668755143 486155283 /nfs/dbraw/zinc/15/52/83/486155283.db2.gz PEOVXCKDRCLAEB-PBHICJAKSA-N 2 2 326.387 1.841 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000668757447 486157372 /nfs/dbraw/zinc/15/73/72/486157372.db2.gz HAACAGQJHDHNMX-CHWSQXEVSA-N 2 2 336.436 1.049 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000668757447 486157377 /nfs/dbraw/zinc/15/73/77/486157377.db2.gz HAACAGQJHDHNMX-CHWSQXEVSA-N 2 2 336.436 1.049 20 0 EDADLP Cc1cn2ccc(NC(=O)N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)cc2[nH+]1 ZINC000668167282 486184402 /nfs/dbraw/zinc/18/44/02/486184402.db2.gz YUOOGVVQYHYXQY-UONOGXRCSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2ccc(NC(=O)N3C[C@H](C)[N@H+](CCO)C[C@H]3C)cc2[nH+]1 ZINC000668167282 486184404 /nfs/dbraw/zinc/18/44/04/486184404.db2.gz YUOOGVVQYHYXQY-UONOGXRCSA-N 2 2 331.420 1.562 20 0 EDADLP Cn1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(-c2ccncc2)n1 ZINC000668793505 486203722 /nfs/dbraw/zinc/20/37/22/486203722.db2.gz DIQBPKFOSKQRQP-UHFFFAOYSA-N 2 2 337.431 1.538 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000669486567 486252914 /nfs/dbraw/zinc/25/29/14/486252914.db2.gz BFPTZAFFLDHBHE-CVEARBPZSA-N 2 2 325.416 1.623 20 0 EDADLP C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000133771096 491222200 /nfs/dbraw/zinc/22/22/00/491222200.db2.gz MOIMGNNEHXYERQ-GOEBONIOSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000133771096 491222202 /nfs/dbraw/zinc/22/22/02/491222202.db2.gz MOIMGNNEHXYERQ-GOEBONIOSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C[C@@H](C)O1 ZINC000305717249 491244482 /nfs/dbraw/zinc/24/44/82/491244482.db2.gz HZOYJRIZMGGBFL-TZNCUMHOSA-N 2 2 336.480 1.236 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C[C@@H](C)O1 ZINC000305717249 491244483 /nfs/dbraw/zinc/24/44/83/491244483.db2.gz HZOYJRIZMGGBFL-TZNCUMHOSA-N 2 2 336.480 1.236 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C[C@H](C)O1 ZINC000305717246 491244504 /nfs/dbraw/zinc/24/45/04/491244504.db2.gz HZOYJRIZMGGBFL-QXDIGNSFSA-N 2 2 336.480 1.236 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C[C@H](C)O1 ZINC000305717246 491244507 /nfs/dbraw/zinc/24/45/07/491244507.db2.gz HZOYJRIZMGGBFL-QXDIGNSFSA-N 2 2 336.480 1.236 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000119315990 490995455 /nfs/dbraw/zinc/99/54/55/490995455.db2.gz PTAXMMZGRLDAAI-HNNXBMFYSA-N 2 2 341.459 1.605 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000126588496 491015323 /nfs/dbraw/zinc/01/53/23/491015323.db2.gz SOGAMFFHJFQCCU-SZMVWBNQSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000126588496 491015324 /nfs/dbraw/zinc/01/53/24/491015324.db2.gz SOGAMFFHJFQCCU-SZMVWBNQSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000126588496 491015325 /nfs/dbraw/zinc/01/53/25/491015325.db2.gz SOGAMFFHJFQCCU-SZMVWBNQSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000126588496 491015326 /nfs/dbraw/zinc/01/53/26/491015326.db2.gz SOGAMFFHJFQCCU-SZMVWBNQSA-N 2 2 331.460 1.486 20 0 EDADLP COC1CC[NH+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000080063707 491170640 /nfs/dbraw/zinc/17/06/40/491170640.db2.gz YHUKUMLQVNBLCF-UHFFFAOYSA-N 2 2 345.447 1.287 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)c1cc(-n2cc[nH+]c2)ncn1 ZINC000081010200 491176413 /nfs/dbraw/zinc/17/64/13/491176413.db2.gz QSCHOTKXVOUEKP-UHFFFAOYSA-N 3 2 331.468 1.372 20 0 EDADLP CC(C)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000174151307 528026646 /nfs/dbraw/zinc/02/66/46/528026646.db2.gz YKJDHSXBIZPWQG-UHFFFAOYSA-N 2 2 347.507 1.832 20 0 EDADLP CCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000264246585 534922309 /nfs/dbraw/zinc/92/23/09/534922309.db2.gz PPIDDPFULSIGLY-LJQANCHMSA-N 2 2 345.487 1.739 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2ccccn2)C1 ZINC000246212119 535109237 /nfs/dbraw/zinc/10/92/37/535109237.db2.gz XJDPODJDQYHJTP-CVEARBPZSA-N 2 2 334.464 1.205 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2ccccn2)C1 ZINC000246212119 535109243 /nfs/dbraw/zinc/10/92/43/535109243.db2.gz XJDPODJDQYHJTP-CVEARBPZSA-N 2 2 334.464 1.205 20 0 EDADLP CC(C)(CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000333135332 535109915 /nfs/dbraw/zinc/10/99/15/535109915.db2.gz CFBWQCWRDJBMPV-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP CC(C)[C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000332519584 535322159 /nfs/dbraw/zinc/32/21/59/535322159.db2.gz QYHYCZSSVJRGPY-QGZVFWFLSA-N 2 2 333.480 1.564 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000262303441 535650363 /nfs/dbraw/zinc/65/03/63/535650363.db2.gz XUZHTQIWNOWHMK-LPHOPBHVSA-N 2 2 346.475 1.258 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)CC1 ZINC000261906357 535678873 /nfs/dbraw/zinc/67/88/73/535678873.db2.gz HAOZWCSZMHCOGA-GOSISDBHSA-N 2 2 348.466 1.326 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)CC1 ZINC000261906357 535678879 /nfs/dbraw/zinc/67/88/79/535678879.db2.gz HAOZWCSZMHCOGA-GOSISDBHSA-N 2 2 348.466 1.326 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000194978412 535872013 /nfs/dbraw/zinc/87/20/13/535872013.db2.gz LHTKXUQXOKPZOM-QGZVFWFLSA-N 2 2 328.464 1.510 20 0 EDADLP CC[C@@H]1C[C@H](C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)CCO1 ZINC000261718858 535896141 /nfs/dbraw/zinc/89/61/41/535896141.db2.gz KNVJNBFYFRNOIV-GDBMZVCRSA-N 2 2 333.480 1.766 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000332439332 536017385 /nfs/dbraw/zinc/01/73/85/536017385.db2.gz IHOHVWVJYCPOTN-UHFFFAOYSA-N 2 2 348.472 1.971 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)cn1 ZINC000352774757 536059061 /nfs/dbraw/zinc/05/90/61/536059061.db2.gz RAJONYGUQSGDAC-ZDUSSCGKSA-N 2 2 334.493 1.697 20 0 EDADLP CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352758578 536059069 /nfs/dbraw/zinc/05/90/69/536059069.db2.gz ZPIIWDUQRFDUFD-MRXNPFEDSA-N 2 2 346.500 1.994 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270346398 536322746 /nfs/dbraw/zinc/32/27/46/536322746.db2.gz OUPKQOORIYSHNT-CYBMUJFWSA-N 2 2 329.404 1.265 20 0 EDADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270346398 536322750 /nfs/dbraw/zinc/32/27/50/536322750.db2.gz OUPKQOORIYSHNT-CYBMUJFWSA-N 2 2 329.404 1.265 20 0 EDADLP Cn1cc(CN2C[C@H](F)C[C@@H]2C[N@H+](C)CCCn2cc[nH+]c2)cn1 ZINC000347103761 536363071 /nfs/dbraw/zinc/36/30/71/536363071.db2.gz FIRPAKZMTFMAHD-IAGOWNOFSA-N 2 2 334.443 1.551 20 0 EDADLP Cn1cc(CN2C[C@H](F)C[C@@H]2C[N@@H+](C)CCCn2cc[nH+]c2)cn1 ZINC000347103761 536363075 /nfs/dbraw/zinc/36/30/75/536363075.db2.gz FIRPAKZMTFMAHD-IAGOWNOFSA-N 2 2 334.443 1.551 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000270244552 536690368 /nfs/dbraw/zinc/69/03/68/536690368.db2.gz IBDLQJVNWXIOKL-UHFFFAOYSA-N 2 2 332.448 1.139 20 0 EDADLP Cc1noc(C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)n1 ZINC000759932687 580019727 /nfs/dbraw/zinc/01/97/27/580019727.db2.gz VUMOGMQNCCELLT-SJORKVTESA-N 2 2 330.432 1.708 20 0 EDADLP Cc1ccc(OCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000729265246 578562716 /nfs/dbraw/zinc/56/27/16/578562716.db2.gz FAJJPPWLSQXFQL-SFHVURJKSA-N 2 2 331.460 1.788 20 0 EDADLP Cc1ccc(OCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000729265246 578562717 /nfs/dbraw/zinc/56/27/17/578562717.db2.gz FAJJPPWLSQXFQL-SFHVURJKSA-N 2 2 331.460 1.788 20 0 EDADLP Cc1ccc(OCC[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000729928617 578603718 /nfs/dbraw/zinc/60/37/18/578603718.db2.gz KHOZRGNTJDXBAI-LJQANCHMSA-N 2 2 333.476 1.322 20 0 EDADLP Cc1ccc(OCC[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000729928617 578603719 /nfs/dbraw/zinc/60/37/19/578603719.db2.gz KHOZRGNTJDXBAI-LJQANCHMSA-N 2 2 333.476 1.322 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000732442130 578712167 /nfs/dbraw/zinc/71/21/67/578712167.db2.gz SWDAOFXZLUMRGT-MRXNPFEDSA-N 2 2 342.447 1.939 20 0 EDADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732442308 578712225 /nfs/dbraw/zinc/71/22/25/578712225.db2.gz UYULKTQPIRDDHM-INIZCTEOSA-N 2 2 340.431 1.645 20 0 EDADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732442308 578712226 /nfs/dbraw/zinc/71/22/26/578712226.db2.gz UYULKTQPIRDDHM-INIZCTEOSA-N 2 2 340.431 1.645 20 0 EDADLP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000760958828 580042727 /nfs/dbraw/zinc/04/27/27/580042727.db2.gz BUALNUFSOATGJQ-JKSUJKDBSA-N 2 2 326.481 1.887 20 0 EDADLP CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000760958828 580042728 /nfs/dbraw/zinc/04/27/28/580042728.db2.gz BUALNUFSOATGJQ-JKSUJKDBSA-N 2 2 326.481 1.887 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000735185483 578866383 /nfs/dbraw/zinc/86/63/83/578866383.db2.gz NIPFDQSONCGNSF-ZWKOTPCHSA-N 2 2 346.475 1.141 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000735185483 578866385 /nfs/dbraw/zinc/86/63/85/578866385.db2.gz NIPFDQSONCGNSF-ZWKOTPCHSA-N 2 2 346.475 1.141 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000736230426 578965781 /nfs/dbraw/zinc/96/57/81/578965781.db2.gz ULXKILYXDNMVGQ-SWLSCSKDSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC000736230426 578965782 /nfs/dbraw/zinc/96/57/82/578965782.db2.gz ULXKILYXDNMVGQ-SWLSCSKDSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC000736230426 578965783 /nfs/dbraw/zinc/96/57/83/578965783.db2.gz ULXKILYXDNMVGQ-SWLSCSKDSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC000736230426 578965784 /nfs/dbraw/zinc/96/57/84/578965784.db2.gz ULXKILYXDNMVGQ-SWLSCSKDSA-N 2 2 343.435 1.220 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000737244318 579059512 /nfs/dbraw/zinc/05/95/12/579059512.db2.gz FICPWFURSUWILT-QWHCGFSZSA-N 2 2 331.424 1.400 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000737460100 579094187 /nfs/dbraw/zinc/09/41/87/579094187.db2.gz CLRHDYHVEFXULW-UHFFFAOYSA-N 2 2 340.537 1.143 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000737460100 579094189 /nfs/dbraw/zinc/09/41/89/579094189.db2.gz CLRHDYHVEFXULW-UHFFFAOYSA-N 2 2 340.537 1.143 20 0 EDADLP CC(C)[C@@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000738070949 579156984 /nfs/dbraw/zinc/15/69/84/579156984.db2.gz DFMOOYIZDBJNKA-GOSISDBHSA-N 2 2 336.480 1.718 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C(C)C ZINC000746417355 579592845 /nfs/dbraw/zinc/59/28/45/579592845.db2.gz NCVNRJWXSAQTEO-MRXNPFEDSA-N 2 2 328.501 1.515 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1)C(C)C ZINC000746417355 579592846 /nfs/dbraw/zinc/59/28/46/579592846.db2.gz NCVNRJWXSAQTEO-MRXNPFEDSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@H](COc1ccccc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000748960560 579708360 /nfs/dbraw/zinc/70/83/60/579708360.db2.gz OPGHKHFXWPOONS-MRXNPFEDSA-N 2 2 348.491 1.779 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000749812124 579740908 /nfs/dbraw/zinc/74/09/08/579740908.db2.gz QLHQHUIMQVVUFM-CABCVRRESA-N 2 2 327.469 1.384 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000749812124 579740910 /nfs/dbraw/zinc/74/09/10/579740910.db2.gz QLHQHUIMQVVUFM-CABCVRRESA-N 2 2 327.469 1.384 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(N(C)C)[nH+]1 ZINC000750213407 579755882 /nfs/dbraw/zinc/75/58/82/579755882.db2.gz FGDQHYFRUCUYKJ-KGLIPLIRSA-N 2 2 345.447 1.138 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(N(C)C)[nH+]1 ZINC000750213407 579755883 /nfs/dbraw/zinc/75/58/83/579755883.db2.gz FGDQHYFRUCUYKJ-KGLIPLIRSA-N 2 2 345.447 1.138 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C)c1 ZINC000752854231 579867061 /nfs/dbraw/zinc/86/70/61/579867061.db2.gz GURFVQJCPXBQGT-UHFFFAOYSA-N 2 2 331.460 1.744 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000766253335 580162823 /nfs/dbraw/zinc/16/28/23/580162823.db2.gz VCFCHILQMQOKHF-HUUCEWRRSA-N 2 2 342.447 1.891 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000766253335 580162824 /nfs/dbraw/zinc/16/28/24/580162824.db2.gz VCFCHILQMQOKHF-HUUCEWRRSA-N 2 2 342.447 1.891 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000774562810 580365761 /nfs/dbraw/zinc/36/57/61/580365761.db2.gz YVWZNLNKFSOIBC-RHSMWYFYSA-N 2 2 334.420 1.279 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000774562810 580365762 /nfs/dbraw/zinc/36/57/62/580365762.db2.gz YVWZNLNKFSOIBC-RHSMWYFYSA-N 2 2 334.420 1.279 20 0 EDADLP OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000782082381 580565857 /nfs/dbraw/zinc/56/58/57/580565857.db2.gz DVEHARCTTCHCFC-GJZGRUSLSA-N 2 2 343.265 1.529 20 0 EDADLP COc1ccccc1CC[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783975599 580609719 /nfs/dbraw/zinc/60/97/19/580609719.db2.gz BVZYQXSFSPLIDX-MRXNPFEDSA-N 2 2 342.443 1.877 20 0 EDADLP COc1ccccc1CC[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783975599 580609720 /nfs/dbraw/zinc/60/97/20/580609720.db2.gz BVZYQXSFSPLIDX-MRXNPFEDSA-N 2 2 342.443 1.877 20 0 EDADLP C[C@@H](C[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O)c1nccs1 ZINC000784036226 580612310 /nfs/dbraw/zinc/61/23/10/580612310.db2.gz DMMXCURDWZRGRA-QWHCGFSZSA-N 2 2 333.461 1.886 20 0 EDADLP C[C@@H](C[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O)c1nccs1 ZINC000784036226 580612311 /nfs/dbraw/zinc/61/23/11/580612311.db2.gz DMMXCURDWZRGRA-QWHCGFSZSA-N 2 2 333.461 1.886 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000789299526 580741597 /nfs/dbraw/zinc/74/15/97/580741597.db2.gz BVNWTSZNXVXWDL-UHFFFAOYSA-N 2 2 339.443 1.651 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[NH+]1CCCCC1 ZINC000793719395 580853538 /nfs/dbraw/zinc/85/35/38/580853538.db2.gz DQLPUENKMLCTJY-LSDHHAIUSA-N 2 2 347.463 1.454 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000793954350 580861819 /nfs/dbraw/zinc/86/18/19/580861819.db2.gz YVOIOCRVRABEJD-UHFFFAOYSA-N 2 2 330.436 1.490 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 ZINC000796311471 580950703 /nfs/dbraw/zinc/95/07/03/580950703.db2.gz GVMJECDOFBPDDU-WCQYABFASA-N 2 2 331.507 1.650 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000796574998 580956929 /nfs/dbraw/zinc/95/69/29/580956929.db2.gz ITVWBDQJRWGZPJ-UHFFFAOYSA-N 2 2 346.353 1.281 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000799134523 581017964 /nfs/dbraw/zinc/01/79/64/581017964.db2.gz JCHZREAMTPVNBX-CRAIPNDOSA-N 2 2 345.447 1.834 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000799134523 581017965 /nfs/dbraw/zinc/01/79/65/581017965.db2.gz JCHZREAMTPVNBX-CRAIPNDOSA-N 2 2 345.447 1.834 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799169259 581020863 /nfs/dbraw/zinc/02/08/63/581020863.db2.gz CYYCNNDNHRJZDJ-MRXNPFEDSA-N 2 2 326.400 1.787 20 0 EDADLP CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000800892332 581060987 /nfs/dbraw/zinc/06/09/87/581060987.db2.gz SXZUTAUEPQSYJY-DZGCQCFKSA-N 2 2 346.431 1.652 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891919668 590688763 /nfs/dbraw/zinc/68/87/63/590688763.db2.gz ZQNUKUWQKRZBTL-INIZCTEOSA-N 2 2 326.400 1.604 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC[NH2+]C3CC3)C2)cc1 ZINC000891989481 590730203 /nfs/dbraw/zinc/73/02/03/590730203.db2.gz UYQZNJPEHYFOQQ-SFHVURJKSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC[NH2+]C3CC3)C2)cc1 ZINC000891989481 590730207 /nfs/dbraw/zinc/73/02/07/590730207.db2.gz UYQZNJPEHYFOQQ-SFHVURJKSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC3([NH3+])CCC3)C2)c1 ZINC000892052933 590773607 /nfs/dbraw/zinc/77/36/07/590773607.db2.gz HNCFTOBQEDBVRU-KRWDZBQOSA-N 2 2 346.475 1.376 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC3([NH3+])CCC3)C2)c1 ZINC000892052933 590773611 /nfs/dbraw/zinc/77/36/11/590773611.db2.gz HNCFTOBQEDBVRU-KRWDZBQOSA-N 2 2 346.475 1.376 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892090718 590793945 /nfs/dbraw/zinc/79/39/45/590793945.db2.gz HDZCPELDSCRHMO-OIISXLGYSA-N 2 2 327.432 1.922 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC/C=C/C[NH3+])C2)c1 ZINC000892122407 590810079 /nfs/dbraw/zinc/81/00/79/590810079.db2.gz OJUYQCATERCGNJ-YATRRXNKSA-N 2 2 332.448 1.010 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC/C=C/C[NH3+])C2)c1 ZINC000892122407 590810083 /nfs/dbraw/zinc/81/00/83/590810083.db2.gz OJUYQCATERCGNJ-YATRRXNKSA-N 2 2 332.448 1.010 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000890851001 590812106 /nfs/dbraw/zinc/81/21/06/590812106.db2.gz ILFBKUYROCKISW-UHFFFAOYSA-N 2 2 343.475 1.675 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])C2)c1 ZINC000892140406 590819257 /nfs/dbraw/zinc/81/92/57/590819257.db2.gz YXIRBZKGRXKGAM-WMZOPIPTSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])C2)c1 ZINC000892140406 590819258 /nfs/dbraw/zinc/81/92/58/590819258.db2.gz YXIRBZKGRXKGAM-WMZOPIPTSA-N 2 2 348.491 1.622 20 0 EDADLP CC1(C)CC[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)[NH2+]C1 ZINC000892391697 591007796 /nfs/dbraw/zinc/00/77/96/591007796.db2.gz IZVFQJWZIMMLCH-JKSUJKDBSA-N 2 2 338.496 1.271 20 0 EDADLP CC1(C)CC[C@@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)[NH2+]C1 ZINC000892394837 591009463 /nfs/dbraw/zinc/00/94/63/591009463.db2.gz YEAKMJZBAMKEQR-KRWDZBQOSA-N 2 2 345.491 1.687 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000891333704 591048637 /nfs/dbraw/zinc/04/86/37/591048637.db2.gz UNSYYCVZCGRJHB-HNNXBMFYSA-N 2 2 342.447 1.845 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891333820 591048775 /nfs/dbraw/zinc/04/87/75/591048775.db2.gz WCBXQAUXHQFQEL-HUUCEWRRSA-N 2 2 326.404 1.303 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)c[nH+]1 ZINC000891346805 591052981 /nfs/dbraw/zinc/05/29/81/591052981.db2.gz DKBJCQHUUDCPAL-KRWDZBQOSA-N 2 2 341.459 1.907 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000892563368 591073025 /nfs/dbraw/zinc/07/30/25/591073025.db2.gz QWNWIPMYTBXELW-INIZCTEOSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000892563368 591073031 /nfs/dbraw/zinc/07/30/31/591073031.db2.gz QWNWIPMYTBXELW-INIZCTEOSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562757 591073679 /nfs/dbraw/zinc/07/36/79/591073679.db2.gz KRIFFFMNVAWMRU-CVEARBPZSA-N 2 2 340.431 1.645 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562757 591073681 /nfs/dbraw/zinc/07/36/81/591073681.db2.gz KRIFFFMNVAWMRU-CVEARBPZSA-N 2 2 340.431 1.645 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)c1 ZINC000892577823 591079052 /nfs/dbraw/zinc/07/90/52/591079052.db2.gz NVLIITAVLCNDPJ-ZOBUZTSGSA-N 2 2 346.475 1.821 20 0 EDADLP CNc1cc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)nc[nH+]1 ZINC000892592981 591084700 /nfs/dbraw/zinc/08/47/00/591084700.db2.gz UTGJKMIDVFDMIB-AWEZNQCLSA-N 2 2 327.436 1.536 20 0 EDADLP COc1ccc([C@@H](CNc2nc(N)cc(C)[nH+]2)[NH+]2CCOCC2)cc1 ZINC000891487599 591090497 /nfs/dbraw/zinc/09/04/97/591090497.db2.gz XDZXRYISNSFWIS-MRXNPFEDSA-N 2 2 343.431 1.861 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000891517337 591103165 /nfs/dbraw/zinc/10/31/65/591103165.db2.gz KSPFBGMJKNLQBW-JZXOWHBKSA-N 2 2 338.496 1.271 20 0 EDADLP CC(C)c1c[nH]c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000894006177 591166775 /nfs/dbraw/zinc/16/67/75/591166775.db2.gz RLPHSFAMBBWDDZ-UHFFFAOYSA-N 2 2 347.507 1.909 20 0 EDADLP C[C@]1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH+]2CCC1CC2 ZINC000892781494 591173549 /nfs/dbraw/zinc/17/35/49/591173549.db2.gz OAXHHSPOHHVRFG-ICSRJNTNSA-N 2 2 343.471 1.488 20 0 EDADLP C[C@]1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH+]2CCC1CC2 ZINC000892781494 591173553 /nfs/dbraw/zinc/17/35/53/591173553.db2.gz OAXHHSPOHHVRFG-ICSRJNTNSA-N 2 2 343.471 1.488 20 0 EDADLP CCc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)nc(CC)[nH+]1 ZINC000894110606 591197493 /nfs/dbraw/zinc/19/74/93/591197493.db2.gz MBAWHNGUDHVIFH-OAHLLOKOSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892877827 591212638 /nfs/dbraw/zinc/21/26/38/591212638.db2.gz ACBWFQGTUBAIJB-UHFFFAOYSA-N 2 2 325.840 1.688 20 0 EDADLP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCNC2=O)c2c1OC(F)(F)O2 ZINC000894211734 591232403 /nfs/dbraw/zinc/23/24/03/591232403.db2.gz SKMLFDVTSCAQMA-LBPRGKRZSA-N 2 2 341.358 1.438 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(F)F ZINC000894273933 591260900 /nfs/dbraw/zinc/26/09/00/591260900.db2.gz UCUFNJBCXSPNMS-OLZOCXBDSA-N 2 2 334.407 1.520 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CCN(Cc2[nH+]ccn2C2CC2)CC1 ZINC000896000678 591320373 /nfs/dbraw/zinc/32/03/73/591320373.db2.gz XNPGXIIUZGFFGX-UHFFFAOYSA-N 2 2 331.464 1.524 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897500576 591503769 /nfs/dbraw/zinc/50/37/69/591503769.db2.gz GOSSOGAYQPSAOV-INIZCTEOSA-N 2 2 331.464 1.706 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897500576 591503771 /nfs/dbraw/zinc/50/37/71/591503771.db2.gz GOSSOGAYQPSAOV-INIZCTEOSA-N 2 2 331.464 1.706 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896544177 591513427 /nfs/dbraw/zinc/51/34/27/591513427.db2.gz KICNFGGMGKSVCX-RDTXWAMCSA-N 2 2 343.475 1.485 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896544177 591513429 /nfs/dbraw/zinc/51/34/29/591513429.db2.gz KICNFGGMGKSVCX-RDTXWAMCSA-N 2 2 343.475 1.485 20 0 EDADLP CCc1cc(N2CC[NH+](CCc3cnccn3)CC2)nc(CC)[nH+]1 ZINC000894994830 591513888 /nfs/dbraw/zinc/51/38/88/591513888.db2.gz HDFXURZXJMZSCN-UHFFFAOYSA-N 2 2 326.448 1.756 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000896718449 591586197 /nfs/dbraw/zinc/58/61/97/591586197.db2.gz AXOOCMHUVMUPIE-KRWDZBQOSA-N 2 2 334.464 1.301 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000897651644 591605484 /nfs/dbraw/zinc/60/54/84/591605484.db2.gz HZSHNDDKPSGXFY-GBJTYRQASA-N 2 2 327.469 1.693 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000897651644 591605486 /nfs/dbraw/zinc/60/54/86/591605486.db2.gz HZSHNDDKPSGXFY-GBJTYRQASA-N 2 2 327.469 1.693 20 0 EDADLP COc1ccc(CCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000896840050 591628637 /nfs/dbraw/zinc/62/86/37/591628637.db2.gz IGBVRFUNMKDLAJ-UHFFFAOYSA-N 2 2 334.464 1.165 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895211149 591658937 /nfs/dbraw/zinc/65/89/37/591658937.db2.gz IIJBVQPJQKIKBD-SOUVJXGZSA-N 2 2 335.452 1.205 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000895211149 591658942 /nfs/dbraw/zinc/65/89/42/591658942.db2.gz IIJBVQPJQKIKBD-SOUVJXGZSA-N 2 2 335.452 1.205 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCS(=O)(=O)N2CCCC2)n1-c1ccccc1 ZINC000897830612 591687276 /nfs/dbraw/zinc/68/72/76/591687276.db2.gz DXKOZVCIFTULCL-UHFFFAOYSA-N 2 2 348.472 1.696 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(F)(C4CC4)CC3)cn2)CC1 ZINC000896945803 591691105 /nfs/dbraw/zinc/69/11/05/591691105.db2.gz BEZMZFKKHWIMTN-UHFFFAOYSA-N 2 2 333.455 1.943 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC000899146253 591703165 /nfs/dbraw/zinc/70/31/65/591703165.db2.gz KBTVRVHROHNFJJ-HNNXBMFYSA-N 2 2 332.404 1.470 20 0 EDADLP Cn1nc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1C(F)(F)F ZINC000898021156 591758235 /nfs/dbraw/zinc/75/82/35/591758235.db2.gz WSEKICCMSQUUPR-UHFFFAOYSA-N 2 2 334.386 1.764 20 0 EDADLP OCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCSCC2)[nH+]cn1 ZINC000897221107 591775042 /nfs/dbraw/zinc/77/50/42/591775042.db2.gz HGPILPCLHWZANF-HUUCEWRRSA-N 2 2 349.504 1.065 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)c1 ZINC000895482526 591777455 /nfs/dbraw/zinc/77/74/55/591777455.db2.gz IWMMCKADALKMKG-IBGZPJMESA-N 2 2 343.471 1.360 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000895552492 591798790 /nfs/dbraw/zinc/79/87/90/591798790.db2.gz OLHGREKCELHSJV-ZNMIVQPWSA-N 2 2 325.497 1.863 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000895552492 591798795 /nfs/dbraw/zinc/79/87/95/591798795.db2.gz OLHGREKCELHSJV-ZNMIVQPWSA-N 2 2 325.497 1.863 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000895552492 591798798 /nfs/dbraw/zinc/79/87/98/591798798.db2.gz OLHGREKCELHSJV-ZNMIVQPWSA-N 2 2 325.497 1.863 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000895552492 591798803 /nfs/dbraw/zinc/79/88/03/591798803.db2.gz OLHGREKCELHSJV-ZNMIVQPWSA-N 2 2 325.497 1.863 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C[C@@H]1C ZINC000898186308 591827306 /nfs/dbraw/zinc/82/73/06/591827306.db2.gz NKWOETHRRSPHCM-JKIFEVAISA-N 2 2 349.479 1.358 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C[C@@H]1C ZINC000898186308 591827308 /nfs/dbraw/zinc/82/73/08/591827308.db2.gz NKWOETHRRSPHCM-JKIFEVAISA-N 2 2 349.479 1.358 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@@H]1C ZINC000898186308 591827314 /nfs/dbraw/zinc/82/73/14/591827314.db2.gz NKWOETHRRSPHCM-JKIFEVAISA-N 2 2 349.479 1.358 20 0 EDADLP C/C(=C\C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)C[NH+]1CCOCC1 ZINC000900109688 591910858 /nfs/dbraw/zinc/91/08/58/591910858.db2.gz NZFTWHLXFRZNKP-GXDHUFHOSA-N 2 2 327.388 1.484 20 0 EDADLP CC(C)[N@H+](C)CC1CC[NH+](Cn2nnc(-c3cscn3)n2)CC1 ZINC000902140635 591926658 /nfs/dbraw/zinc/92/66/58/591926658.db2.gz RSTAEUAIZNFTLT-UHFFFAOYSA-N 2 2 335.481 1.806 20 0 EDADLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2nnc(-c3cscn3)n2)CC1 ZINC000902140635 591926660 /nfs/dbraw/zinc/92/66/60/591926660.db2.gz RSTAEUAIZNFTLT-UHFFFAOYSA-N 2 2 335.481 1.806 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)CO[NH+]=C(N)Cc2ccccc2)CC1 ZINC000902214614 591940527 /nfs/dbraw/zinc/94/05/27/591940527.db2.gz KCFOIVWKNIKMCA-UHFFFAOYSA-N 2 2 332.448 1.717 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)c[nH+]2)CC1 ZINC000900233734 591949632 /nfs/dbraw/zinc/94/96/32/591949632.db2.gz ZNVMJCHROAKONU-QFBILLFUSA-N 2 2 346.475 1.389 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)c[nH+]2)CC1 ZINC000900233734 591949634 /nfs/dbraw/zinc/94/96/34/591949634.db2.gz ZNVMJCHROAKONU-QFBILLFUSA-N 2 2 346.475 1.389 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000902363864 591986600 /nfs/dbraw/zinc/98/66/00/591986600.db2.gz NZQXYKFSFDUQOA-RBUKOAKNSA-N 3 2 331.504 1.773 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000902363864 591986602 /nfs/dbraw/zinc/98/66/02/591986602.db2.gz NZQXYKFSFDUQOA-RBUKOAKNSA-N 3 2 331.504 1.773 20 0 EDADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000902473999 591997621 /nfs/dbraw/zinc/99/76/21/591997621.db2.gz BKNDVJGMQPWLTC-QIJZBDPFSA-N 2 2 335.473 1.770 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902465161 592000248 /nfs/dbraw/zinc/00/02/48/592000248.db2.gz FLMRMFDLMSLMOR-MSQAHXEGSA-N 2 2 331.416 1.673 20 0 EDADLP c1nc(N2CC[NH2+]CCC23CCOCC3)cc(N2CCCCC2)[nH+]1 ZINC000900425281 592015125 /nfs/dbraw/zinc/01/51/25/592015125.db2.gz ZMURBASMFSASCW-UHFFFAOYSA-N 2 2 331.464 1.816 20 0 EDADLP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)C2(OC)CCCC2)CC1 ZINC000902599254 592021797 /nfs/dbraw/zinc/02/17/97/592021797.db2.gz YCUNKQSMTHCNNF-UHFFFAOYSA-N 2 2 326.441 1.045 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H](O)Cc3ccc(F)cc3)nn2)CC1 ZINC000900583488 592056235 /nfs/dbraw/zinc/05/62/35/592056235.db2.gz UJQKXHZUBSSABY-SFHVURJKSA-N 2 2 347.438 1.205 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H]3CC[C@H](C(F)(F)F)O3)nn2)CC1 ZINC000900582073 592058613 /nfs/dbraw/zinc/05/86/13/592058613.db2.gz GIRMTUDCARMJIV-ZIAGYGMSSA-N 2 2 347.385 1.572 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000902776404 592061155 /nfs/dbraw/zinc/06/11/55/592061155.db2.gz KMRLGJWPPXYNLO-RDTXWAMCSA-N 2 2 331.460 1.682 20 0 EDADLP Cc1ccc([C@H](O)Cn2cc(C[NH2+]C3CC[NH+](C)CC3)nn2)cc1 ZINC000900583544 592069256 /nfs/dbraw/zinc/06/92/56/592069256.db2.gz TUEOTIAAEFCSBV-GOSISDBHSA-N 2 2 329.448 1.504 20 0 EDADLP COc1ccccc1[C@@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900692218 592096314 /nfs/dbraw/zinc/09/63/14/592096314.db2.gz HFNCCBIQIDDKDJ-GOSISDBHSA-N 2 2 349.475 1.213 20 0 EDADLP COc1ccccc1[C@@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900692218 592096317 /nfs/dbraw/zinc/09/63/17/592096317.db2.gz HFNCCBIQIDDKDJ-GOSISDBHSA-N 2 2 349.475 1.213 20 0 EDADLP c1n[nH]c2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000903086870 592117891 /nfs/dbraw/zinc/11/78/91/592117891.db2.gz BZQYKDFLRNMDDQ-SJORKVTESA-N 2 2 333.480 1.173 20 0 EDADLP c1[nH]nc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000903086870 592117894 /nfs/dbraw/zinc/11/78/94/592117894.db2.gz BZQYKDFLRNMDDQ-SJORKVTESA-N 2 2 333.480 1.173 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903301278 592153174 /nfs/dbraw/zinc/15/31/74/592153174.db2.gz PNFHFNWHAVLGOW-GUTXKFCHSA-N 2 2 325.478 1.694 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301278 592153175 /nfs/dbraw/zinc/15/31/75/592153175.db2.gz PNFHFNWHAVLGOW-GUTXKFCHSA-N 2 2 325.478 1.694 20 0 EDADLP O=C1[C@@H]([NH+]2CCN(C[C@H]3CCC[NH2+]3)CC2)CCN1c1ccccc1 ZINC000903437793 592169948 /nfs/dbraw/zinc/16/99/48/592169948.db2.gz MEMBNIBXFZIJRW-AEFFLSMTSA-N 2 2 328.460 1.162 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903441836 592172488 /nfs/dbraw/zinc/17/24/88/592172488.db2.gz BZXANVXOXYRVBA-WMLDXEAASA-N 2 2 334.439 1.522 20 0 EDADLP Cc1cc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)c(C)nn1 ZINC000903448499 592173077 /nfs/dbraw/zinc/17/30/77/592173077.db2.gz GSNGCHUPGRBXQS-QGZVFWFLSA-N 2 2 340.475 1.971 20 0 EDADLP COCCOc1ccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469436 592175371 /nfs/dbraw/zinc/17/53/71/592175371.db2.gz UZMGYQWZQNWHDH-QGZVFWFLSA-N 2 2 347.459 1.202 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000903470036 592175397 /nfs/dbraw/zinc/17/53/97/592175397.db2.gz ZRZORHRQOBKYTL-JJRVBVJISA-N 2 2 345.443 1.205 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)NCc1ccc2c(c1)OCO2 ZINC000903486018 592177171 /nfs/dbraw/zinc/17/71/71/592177171.db2.gz RGTPEPIBTDZSFW-MRXNPFEDSA-N 2 2 331.416 1.296 20 0 EDADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(N)nn1 ZINC000904342637 592234407 /nfs/dbraw/zinc/23/44/07/592234407.db2.gz LXGHDZZPPPBIIV-UHFFFAOYSA-N 3 2 346.523 1.687 20 0 EDADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(N)nn1 ZINC000904342637 592234409 /nfs/dbraw/zinc/23/44/09/592234409.db2.gz LXGHDZZPPPBIIV-UHFFFAOYSA-N 3 2 346.523 1.687 20 0 EDADLP C[C@@]1(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000904363207 592241312 /nfs/dbraw/zinc/24/13/12/592241312.db2.gz XUYMGQMPAGZJIH-HXUWFJFHSA-N 3 2 347.503 1.877 20 0 EDADLP CC(C)(C)c1cc2n(n1)CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000904389619 592243387 /nfs/dbraw/zinc/24/33/87/592243387.db2.gz PABXEYUQOGIWTQ-CQSZACIVSA-N 2 2 333.480 1.194 20 0 EDADLP CC(C)(C)c1cc2n(n1)CC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000904389619 592243389 /nfs/dbraw/zinc/24/33/89/592243389.db2.gz PABXEYUQOGIWTQ-CQSZACIVSA-N 2 2 333.480 1.194 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3cnn(Cc4ccccc4)c3)C[C@H]2[NH3+])c1 ZINC000904494804 592266695 /nfs/dbraw/zinc/26/66/95/592266695.db2.gz JBCJXPYLAFWXQK-QZTJIDSGSA-N 2 2 336.443 1.592 20 0 EDADLP C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719082 592281449 /nfs/dbraw/zinc/28/14/49/592281449.db2.gz VCMYJGGOBYRQEQ-CQSZACIVSA-N 2 2 342.443 1.926 20 0 EDADLP C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719082 592281452 /nfs/dbraw/zinc/28/14/52/592281452.db2.gz VCMYJGGOBYRQEQ-CQSZACIVSA-N 2 2 342.443 1.926 20 0 EDADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000903857295 592347894 /nfs/dbraw/zinc/34/78/94/592347894.db2.gz DBUZLHSJVXEPBE-PBHICJAKSA-N 2 2 335.473 1.441 20 0 EDADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000903857295 592347896 /nfs/dbraw/zinc/34/78/96/592347896.db2.gz DBUZLHSJVXEPBE-PBHICJAKSA-N 2 2 335.473 1.441 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)n1C ZINC000905109915 592410934 /nfs/dbraw/zinc/41/09/34/592410934.db2.gz KHKVHPIEFNHUMZ-SJORKVTESA-N 2 2 332.448 1.450 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)C[C@]1(O)CCOC1)[NH+](C)C ZINC000905230341 592458494 /nfs/dbraw/zinc/45/84/94/592458494.db2.gz PIRCJCBHRFVZMM-OGWHTMIXSA-N 2 2 336.476 1.478 20 0 EDADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000904303815 592472083 /nfs/dbraw/zinc/47/20/83/592472083.db2.gz IAXJKSSVSZTSKW-INIZCTEOSA-N 2 2 332.448 1.638 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)C3CN(C)CC[N@@H+](C)C3)ccc21 ZINC000908535801 592528445 /nfs/dbraw/zinc/52/84/45/592528445.db2.gz XXMOFSKGONKRCF-UHFFFAOYSA-N 2 2 341.459 1.733 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC2(CCC2)CO1)C[N@@H+]1CCc2ccccc2C1 ZINC000905471972 592544478 /nfs/dbraw/zinc/54/44/78/592544478.db2.gz FEWQFBJTIJDAPO-OALUTQOASA-N 2 2 330.472 1.954 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC2(CCC2)CO1)C[N@H+]1CCc2ccccc2C1 ZINC000905471972 592544480 /nfs/dbraw/zinc/54/44/80/592544480.db2.gz FEWQFBJTIJDAPO-OALUTQOASA-N 2 2 330.472 1.954 20 0 EDADLP C[N@H+](CCO)CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000905491441 592552632 /nfs/dbraw/zinc/55/26/32/592552632.db2.gz VGZCTXSUIRVWPP-CYBMUJFWSA-N 2 2 335.217 1.135 20 0 EDADLP C[N@@H+](CCO)CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000905491441 592552635 /nfs/dbraw/zinc/55/26/35/592552635.db2.gz VGZCTXSUIRVWPP-CYBMUJFWSA-N 2 2 335.217 1.135 20 0 EDADLP O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905620237 592588124 /nfs/dbraw/zinc/58/81/24/592588124.db2.gz QYCCCXVTEWRVOW-XUVXKRRUSA-N 2 2 348.487 1.704 20 0 EDADLP O[C@H](CC[C@@H](O)c1ccccc1)C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905620237 592588127 /nfs/dbraw/zinc/58/81/27/592588127.db2.gz QYCCCXVTEWRVOW-XUVXKRRUSA-N 2 2 348.487 1.704 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1)C[N@@H+]1CCc2ccccc2C1 ZINC000905649054 592596181 /nfs/dbraw/zinc/59/61/81/592596181.db2.gz OSECDIUDAYXXOF-HSALFYBXSA-N 2 2 330.472 1.953 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1)C[N@H+]1CCc2ccccc2C1 ZINC000905649054 592596185 /nfs/dbraw/zinc/59/61/85/592596185.db2.gz OSECDIUDAYXXOF-HSALFYBXSA-N 2 2 330.472 1.953 20 0 EDADLP COc1cc2nc(NCC[C@@H]3C[NH2+]C[C@H]3C)[nH+]c(N)c2cc1OC ZINC000905692411 592623490 /nfs/dbraw/zinc/62/34/90/592623490.db2.gz GAPQEGQUKOHBKW-GHMZBOCLSA-N 2 2 331.420 1.887 20 0 EDADLP OCC1(C[C@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000905913020 592679600 /nfs/dbraw/zinc/67/96/00/592679600.db2.gz UBLQWZVIAWOTEO-IBGZPJMESA-N 2 2 347.503 1.939 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)C1 ZINC000907575934 592717622 /nfs/dbraw/zinc/71/76/22/592717622.db2.gz FMTOTHGJACFMLE-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)C1 ZINC000907575934 592717626 /nfs/dbraw/zinc/71/76/26/592717626.db2.gz FMTOTHGJACFMLE-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000907575934 592717630 /nfs/dbraw/zinc/71/76/30/592717630.db2.gz FMTOTHGJACFMLE-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000907575934 592717632 /nfs/dbraw/zinc/71/76/32/592717632.db2.gz FMTOTHGJACFMLE-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000906016144 592728170 /nfs/dbraw/zinc/72/81/70/592728170.db2.gz USJIOWFCJLPFTO-QGZVFWFLSA-N 2 2 346.475 1.656 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000906016144 592728172 /nfs/dbraw/zinc/72/81/72/592728172.db2.gz USJIOWFCJLPFTO-QGZVFWFLSA-N 2 2 346.475 1.656 20 0 EDADLP CC(C)C[C@@H]([NH3+])C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000906097038 592741353 /nfs/dbraw/zinc/74/13/53/592741353.db2.gz LIPYLWLQNUQZRQ-HUUCEWRRSA-N 3 2 333.480 1.264 20 0 EDADLP C[C@H]([NH2+]Cc1cn(-c2ccn(C)n2)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000906291781 592781927 /nfs/dbraw/zinc/78/19/27/592781927.db2.gz CLAZGMITCDBHMS-LSDHHAIUSA-N 2 2 343.479 1.743 20 0 EDADLP C[C@H]([NH2+]Cc1cn(-c2ccn(C)n2)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000906291781 592781928 /nfs/dbraw/zinc/78/19/28/592781928.db2.gz CLAZGMITCDBHMS-LSDHHAIUSA-N 2 2 343.479 1.743 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cn(C4CC4)nn3)CC2)CC1 ZINC000906320775 592794578 /nfs/dbraw/zinc/79/45/78/592794578.db2.gz NYINBSRPXXGPEK-UHFFFAOYSA-N 2 2 332.496 1.605 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cn(C4CC4)nn3)CC2)CC1 ZINC000906320775 592794580 /nfs/dbraw/zinc/79/45/80/592794580.db2.gz NYINBSRPXXGPEK-UHFFFAOYSA-N 2 2 332.496 1.605 20 0 EDADLP Cc1cc(C)c(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)[nH+]1 ZINC000906518808 592838887 /nfs/dbraw/zinc/83/88/87/592838887.db2.gz VQOIFXMVDGEFIL-HNNXBMFYSA-N 2 2 332.448 1.324 20 0 EDADLP Cc1cc(C)c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)[nH+]1 ZINC000906518808 592838891 /nfs/dbraw/zinc/83/88/91/592838891.db2.gz VQOIFXMVDGEFIL-HNNXBMFYSA-N 2 2 332.448 1.324 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906592064 592853704 /nfs/dbraw/zinc/85/37/04/592853704.db2.gz KGLXEYOJSURAIP-UHFFFAOYSA-N 2 2 333.480 1.329 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906584472 592858423 /nfs/dbraw/zinc/85/84/23/592858423.db2.gz JSCAOUCUVLFDGQ-INIZCTEOSA-N 2 2 334.464 1.034 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906584472 592858425 /nfs/dbraw/zinc/85/84/25/592858425.db2.gz JSCAOUCUVLFDGQ-INIZCTEOSA-N 2 2 334.464 1.034 20 0 EDADLP C[C@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000910447335 592865301 /nfs/dbraw/zinc/86/53/01/592865301.db2.gz ZCLHQZQZYAMGHM-KRWDZBQOSA-N 2 2 344.503 1.213 20 0 EDADLP C[C@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000910447335 592865302 /nfs/dbraw/zinc/86/53/02/592865302.db2.gz ZCLHQZQZYAMGHM-KRWDZBQOSA-N 2 2 344.503 1.213 20 0 EDADLP C[C@H]1CN(C(=O)C2CN(C)CC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000910447335 592865303 /nfs/dbraw/zinc/86/53/03/592865303.db2.gz ZCLHQZQZYAMGHM-KRWDZBQOSA-N 2 2 344.503 1.213 20 0 EDADLP C[C@H]1CN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000910447335 592865304 /nfs/dbraw/zinc/86/53/04/592865304.db2.gz ZCLHQZQZYAMGHM-KRWDZBQOSA-N 2 2 344.503 1.213 20 0 EDADLP CCCC[C@@H](CCC)NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911103664 592924039 /nfs/dbraw/zinc/92/40/39/592924039.db2.gz SCZRLHTXGMNVIR-OAHLLOKOSA-N 2 2 326.485 1.001 20 0 EDADLP CCCC[C@H]1CCC[C@H]1NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911207278 592954850 /nfs/dbraw/zinc/95/48/50/592954850.db2.gz GZLMZXDWFOAGAA-GOEBONIOSA-N 2 2 338.496 1.001 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000911940215 593040130 /nfs/dbraw/zinc/04/01/30/593040130.db2.gz GRFPGSCYLBCABO-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000911940215 593040131 /nfs/dbraw/zinc/04/01/31/593040131.db2.gz GRFPGSCYLBCABO-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087592 593156910 /nfs/dbraw/zinc/15/69/10/593156910.db2.gz KTJQCRZSYPXNTA-BXWFABGCSA-N 2 2 335.492 1.778 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087592 593156913 /nfs/dbraw/zinc/15/69/13/593156913.db2.gz KTJQCRZSYPXNTA-BXWFABGCSA-N 2 2 335.492 1.778 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087592 593156916 /nfs/dbraw/zinc/15/69/16/593156916.db2.gz KTJQCRZSYPXNTA-BXWFABGCSA-N 2 2 335.492 1.778 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087592 593156919 /nfs/dbraw/zinc/15/69/19/593156919.db2.gz KTJQCRZSYPXNTA-BXWFABGCSA-N 2 2 335.492 1.778 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000867029358 593215887 /nfs/dbraw/zinc/21/58/87/593215887.db2.gz BPZPDQQHSJRMHU-MGFNVVHASA-N 2 2 329.444 1.436 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000867029358 593215889 /nfs/dbraw/zinc/21/58/89/593215889.db2.gz BPZPDQQHSJRMHU-MGFNVVHASA-N 2 2 329.444 1.436 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000802138856 593223178 /nfs/dbraw/zinc/22/31/78/593223178.db2.gz QBZUFOHEZDHKAV-OAHLLOKOSA-N 2 2 330.388 1.533 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000802138856 593223180 /nfs/dbraw/zinc/22/31/80/593223180.db2.gz QBZUFOHEZDHKAV-OAHLLOKOSA-N 2 2 330.388 1.533 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000758236662 593397472 /nfs/dbraw/zinc/39/74/72/593397472.db2.gz DPIAFWROZUICKZ-QGZVFWFLSA-N 2 2 333.436 1.582 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000758236662 593397473 /nfs/dbraw/zinc/39/74/73/593397473.db2.gz DPIAFWROZUICKZ-QGZVFWFLSA-N 2 2 333.436 1.582 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=S)NC[C@@H]2CCCCO2)CC1 ZINC000758241930 593398189 /nfs/dbraw/zinc/39/81/89/593398189.db2.gz WNNZJRVXVBNEJP-HNNXBMFYSA-N 2 2 328.526 1.046 20 0 EDADLP CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000758239174 593398262 /nfs/dbraw/zinc/39/82/62/593398262.db2.gz CPHAZHPFUVQWGC-PXAZEXFGSA-N 2 2 331.420 1.278 20 0 EDADLP CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000758239174 593398266 /nfs/dbraw/zinc/39/82/66/593398266.db2.gz CPHAZHPFUVQWGC-PXAZEXFGSA-N 2 2 331.420 1.278 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000840035766 593401498 /nfs/dbraw/zinc/40/14/98/593401498.db2.gz JDYMEBINXCQTHG-VKJFTORMSA-N 2 2 330.432 1.337 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000840035766 593401500 /nfs/dbraw/zinc/40/15/00/593401500.db2.gz JDYMEBINXCQTHG-VKJFTORMSA-N 2 2 330.432 1.337 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000811758795 593479541 /nfs/dbraw/zinc/47/95/41/593479541.db2.gz LEFXMSLZNZSNKB-BDXSIMOUSA-N 2 2 347.503 1.920 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000811758795 593479542 /nfs/dbraw/zinc/47/95/42/593479542.db2.gz LEFXMSLZNZSNKB-BDXSIMOUSA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000811758795 593479543 /nfs/dbraw/zinc/47/95/43/593479543.db2.gz LEFXMSLZNZSNKB-BDXSIMOUSA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000811758795 593479544 /nfs/dbraw/zinc/47/95/44/593479544.db2.gz LEFXMSLZNZSNKB-BDXSIMOUSA-N 2 2 347.503 1.920 20 0 EDADLP NC(=[NH+]OCc1ccc(C[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000817378999 593599156 /nfs/dbraw/zinc/59/91/56/593599156.db2.gz RLKVWZFYYRVVDM-UHFFFAOYSA-N 2 2 333.432 1.944 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819050666 593735739 /nfs/dbraw/zinc/73/57/39/593735739.db2.gz VVBGAEDXZQRAHW-UKRRQHHQSA-N 2 2 347.381 1.454 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819050666 593735740 /nfs/dbraw/zinc/73/57/40/593735740.db2.gz VVBGAEDXZQRAHW-UKRRQHHQSA-N 2 2 347.381 1.454 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000819079011 593737603 /nfs/dbraw/zinc/73/76/03/593737603.db2.gz PPWJIPQMWBVDOO-WMLDXEAASA-N 2 2 329.485 1.726 20 0 EDADLP CC1(C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000823795414 593860302 /nfs/dbraw/zinc/86/03/02/593860302.db2.gz BJKNQSBQSVWOIA-CVEARBPZSA-N 2 2 328.416 1.792 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000823796982 593861222 /nfs/dbraw/zinc/86/12/22/593861222.db2.gz JPNMXCFFPOHMEI-UHFFFAOYSA-N 2 2 338.415 1.998 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000823796982 593861223 /nfs/dbraw/zinc/86/12/23/593861223.db2.gz JPNMXCFFPOHMEI-UHFFFAOYSA-N 2 2 338.415 1.998 20 0 EDADLP c1cc(-c2nn[nH]n2)sc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000823802655 593862889 /nfs/dbraw/zinc/86/28/89/593862889.db2.gz WUJWZMSILMYTOY-UHFFFAOYSA-N 2 2 325.401 1.908 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262229 593970435 /nfs/dbraw/zinc/97/04/35/593970435.db2.gz YLPRWGFDGTVVKP-INIZCTEOSA-N 2 2 330.436 1.313 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262229 593970436 /nfs/dbraw/zinc/97/04/36/593970436.db2.gz YLPRWGFDGTVVKP-INIZCTEOSA-N 2 2 330.436 1.313 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821254911 593998770 /nfs/dbraw/zinc/99/87/70/593998770.db2.gz PXVUBDLXOCTPAO-CVEARBPZSA-N 2 2 342.447 1.804 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821254911 593998771 /nfs/dbraw/zinc/99/87/71/593998771.db2.gz PXVUBDLXOCTPAO-CVEARBPZSA-N 2 2 342.447 1.804 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821254911 593998773 /nfs/dbraw/zinc/99/87/73/593998773.db2.gz PXVUBDLXOCTPAO-CVEARBPZSA-N 2 2 342.447 1.804 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821254911 593998774 /nfs/dbraw/zinc/99/87/74/593998774.db2.gz PXVUBDLXOCTPAO-CVEARBPZSA-N 2 2 342.447 1.804 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824555212 594037822 /nfs/dbraw/zinc/03/78/22/594037822.db2.gz VQXXSNRCGVISHG-PWSUYJOCSA-N 2 2 327.367 1.868 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)n1C ZINC000822446304 594049804 /nfs/dbraw/zinc/04/98/04/594049804.db2.gz DMJYDYOLKKJPAW-HOCLYGCPSA-N 2 2 332.452 1.308 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)n1C ZINC000822446302 594049977 /nfs/dbraw/zinc/04/99/77/594049977.db2.gz DMJYDYOLKKJPAW-GDBMZVCRSA-N 2 2 332.452 1.308 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)S1 ZINC000824863794 594086755 /nfs/dbraw/zinc/08/67/55/594086755.db2.gz VDJYDIRIBDBIEZ-CQSZACIVSA-N 2 2 342.472 1.876 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000822740753 594093707 /nfs/dbraw/zinc/09/37/07/594093707.db2.gz NSDLKBSNSRWSPU-CQSZACIVSA-N 2 2 327.367 1.867 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000822740753 594093709 /nfs/dbraw/zinc/09/37/09/594093709.db2.gz NSDLKBSNSRWSPU-CQSZACIVSA-N 2 2 327.367 1.867 20 0 EDADLP CCc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(Cl)n1 ZINC000824955446 594104398 /nfs/dbraw/zinc/10/43/98/594104398.db2.gz BGSXAYXHSBKTII-UHFFFAOYSA-N 2 2 326.872 1.911 20 0 EDADLP CCc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(Cl)n1 ZINC000824955446 594104400 /nfs/dbraw/zinc/10/44/00/594104400.db2.gz BGSXAYXHSBKTII-UHFFFAOYSA-N 2 2 326.872 1.911 20 0 EDADLP C[C@H]1CC[NH2+][C@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000822916022 594121521 /nfs/dbraw/zinc/12/15/21/594121521.db2.gz VRIFIFDJCROELA-ZFWWWQNUSA-N 2 2 342.447 1.944 20 0 EDADLP CCCCC[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823267661 594178435 /nfs/dbraw/zinc/17/84/35/594178435.db2.gz YNTGRUWKBXLSDF-SJORKVTESA-N 2 2 325.497 1.555 20 0 EDADLP CCCCC[C@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823267661 594178436 /nfs/dbraw/zinc/17/84/36/594178436.db2.gz YNTGRUWKBXLSDF-SJORKVTESA-N 2 2 325.497 1.555 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc2c1COC2=O ZINC000823430806 594200929 /nfs/dbraw/zinc/20/09/29/594200929.db2.gz OVRAVFKGPGDEQF-UHFFFAOYSA-N 2 2 334.420 1.362 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc2c1COC2=O ZINC000823430806 594200930 /nfs/dbraw/zinc/20/09/30/594200930.db2.gz OVRAVFKGPGDEQF-UHFFFAOYSA-N 2 2 334.420 1.362 20 0 EDADLP C[N@@H+]1CCCC12CC[NH+](CCOc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826033437 594310888 /nfs/dbraw/zinc/31/08/88/594310888.db2.gz DASAWMZKERUGSF-UHFFFAOYSA-N 2 2 342.447 1.806 20 0 EDADLP C[N@H+]1CCCC12CC[NH+](CCOc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000826033437 594310891 /nfs/dbraw/zinc/31/08/91/594310891.db2.gz DASAWMZKERUGSF-UHFFFAOYSA-N 2 2 342.447 1.806 20 0 EDADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826146763 594347041 /nfs/dbraw/zinc/34/70/41/594347041.db2.gz CKDQNEKMSCKFPU-ZDUSSCGKSA-N 2 2 330.436 1.628 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1 ZINC000830257347 594363613 /nfs/dbraw/zinc/36/36/13/594363613.db2.gz DNINMFNBCVMUTG-UHFFFAOYSA-N 2 2 333.461 1.548 20 0 EDADLP Cc1cccc2c(NC[C@H]3CCC[N@@H+](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000826304947 594416327 /nfs/dbraw/zinc/41/63/27/594416327.db2.gz FNHDEIOGVNZNMC-CYBMUJFWSA-N 2 2 337.431 1.899 20 0 EDADLP Cc1cccc2c(NC[C@H]3CCC[N@H+](C)C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000826304947 594416329 /nfs/dbraw/zinc/41/63/29/594416329.db2.gz FNHDEIOGVNZNMC-CYBMUJFWSA-N 2 2 337.431 1.899 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000826555872 594524985 /nfs/dbraw/zinc/52/49/85/594524985.db2.gz DLGOIRAGHSKVCC-GOSISDBHSA-N 2 2 342.443 1.288 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000826555872 594524986 /nfs/dbraw/zinc/52/49/86/594524986.db2.gz DLGOIRAGHSKVCC-GOSISDBHSA-N 2 2 342.443 1.288 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826589646 594533815 /nfs/dbraw/zinc/53/38/15/594533815.db2.gz KXIZOXUCBPBTIV-GOSISDBHSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826589646 594533817 /nfs/dbraw/zinc/53/38/17/594533817.db2.gz KXIZOXUCBPBTIV-GOSISDBHSA-N 2 2 342.443 1.517 20 0 EDADLP CN1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)Cc2ccc[nH+]c21 ZINC000831112422 594559260 /nfs/dbraw/zinc/55/92/60/594559260.db2.gz LFLSOUDQVVAXIH-UHFFFAOYSA-N 2 2 332.448 1.218 20 0 EDADLP Cc1cn2ccc(C(=O)N(C)CC[NH+]3CC4(C3)CCOCC4)cc2[nH+]1 ZINC000829221103 594583229 /nfs/dbraw/zinc/58/32/29/594583229.db2.gz GLUOWFFGGOSZAE-UHFFFAOYSA-N 2 2 342.443 1.827 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000831388934 594621048 /nfs/dbraw/zinc/62/10/48/594621048.db2.gz ILKFKVUFYHXFHZ-GOSISDBHSA-N 2 2 347.459 1.346 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000827494793 594677249 /nfs/dbraw/zinc/67/72/49/594677249.db2.gz PGFJEIZWSDLFND-BZUAXINKSA-N 2 2 332.448 1.283 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCN3CC[NH2+]CC3)CC2)cc1 ZINC000841045089 594843810 /nfs/dbraw/zinc/84/38/10/594843810.db2.gz OIENHMRVDOXMBO-UHFFFAOYSA-N 3 2 331.508 1.216 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841284654 594881096 /nfs/dbraw/zinc/88/10/96/594881096.db2.gz BEOOAIXXRZXWPD-ZBFHGGJFSA-N 2 2 348.447 1.351 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841284652 594881235 /nfs/dbraw/zinc/88/12/35/594881235.db2.gz BEOOAIXXRZXWPD-GOEBONIOSA-N 2 2 348.447 1.351 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000841667863 594932738 /nfs/dbraw/zinc/93/27/38/594932738.db2.gz GOOOEWXEVVMRLU-XJKSGUPXSA-N 2 2 343.431 1.569 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000841837521 594961254 /nfs/dbraw/zinc/96/12/54/594961254.db2.gz CPRRHIQTRZIZFL-INIZCTEOSA-N 2 2 345.491 1.773 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000841837521 594961257 /nfs/dbraw/zinc/96/12/57/594961257.db2.gz CPRRHIQTRZIZFL-INIZCTEOSA-N 2 2 345.491 1.773 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)S1 ZINC000841982442 594995104 /nfs/dbraw/zinc/99/51/04/594995104.db2.gz FGDJCZBUDQOBOY-STQMWFEESA-N 2 2 339.509 1.465 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=S)NC3CC[NH+](C)CC3)cn21 ZINC000843287270 595062007 /nfs/dbraw/zinc/06/20/07/595062007.db2.gz TVNWMHXZWIOPBO-UHFFFAOYSA-N 2 2 331.489 1.744 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000837489004 595123481 /nfs/dbraw/zinc/12/34/81/595123481.db2.gz FBZDBJJVHMBLDY-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000837489004 595123482 /nfs/dbraw/zinc/12/34/82/595123482.db2.gz FBZDBJJVHMBLDY-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000101632225 595190289 /nfs/dbraw/zinc/19/02/89/595190289.db2.gz VAWOUABHSXOOET-UHFFFAOYSA-N 2 2 327.432 1.711 20 0 EDADLP CC[NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000844167673 595289321 /nfs/dbraw/zinc/28/93/21/595289321.db2.gz OJZCBIIOJBFINX-UHFFFAOYSA-N 2 2 329.366 1.959 20 0 EDADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000844171516 595291002 /nfs/dbraw/zinc/29/10/02/595291002.db2.gz JOSNEAUFYJUDTG-HIFRSBDPSA-N 2 2 345.451 1.244 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000846674360 595298649 /nfs/dbraw/zinc/29/86/49/595298649.db2.gz NDQPFDJSCCCBQK-QGZVFWFLSA-N 3 2 333.480 1.046 20 0 EDADLP CC[NH2+]CC1CC[NH+](CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)CC1 ZINC000844221400 595306580 /nfs/dbraw/zinc/30/65/80/595306580.db2.gz YSHUKVUJSZQWDO-AWEZNQCLSA-N 2 2 333.480 1.536 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[NH2+]CC3([NH3+])CCC3)cc2)C[C@H](C)O1 ZINC000844222378 595306670 /nfs/dbraw/zinc/30/66/70/595306670.db2.gz CWQBVAWRCNTLHS-GASCZTMLSA-N 2 2 346.475 1.710 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000844225223 595309371 /nfs/dbraw/zinc/30/93/71/595309371.db2.gz LPBBDSJKKDMHMP-OKILXGFUSA-N 2 2 333.480 1.009 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000844225223 595309373 /nfs/dbraw/zinc/30/93/73/595309373.db2.gz LPBBDSJKKDMHMP-OKILXGFUSA-N 2 2 333.480 1.009 20 0 EDADLP Cc1nnsc1CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000844239606 595310607 /nfs/dbraw/zinc/31/06/07/595310607.db2.gz SMYMLVQMQKCTMU-AWEZNQCLSA-N 2 2 347.444 1.746 20 0 EDADLP Cc1nnsc1CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000844239606 595310610 /nfs/dbraw/zinc/31/06/10/595310610.db2.gz SMYMLVQMQKCTMU-AWEZNQCLSA-N 2 2 347.444 1.746 20 0 EDADLP COc1cccc(COC[C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000846878354 595331094 /nfs/dbraw/zinc/33/10/94/595331094.db2.gz PLLMUBJZRXSOTE-INIZCTEOSA-N 2 2 346.431 1.118 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](OC3CCC3)C2)C1 ZINC000848496484 595396158 /nfs/dbraw/zinc/39/61/58/595396158.db2.gz DAUCEHGGEHZFRV-HOCLYGCPSA-N 2 2 332.448 1.727 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](OC3CCC3)C2)C1 ZINC000848496484 595396161 /nfs/dbraw/zinc/39/61/61/595396161.db2.gz DAUCEHGGEHZFRV-HOCLYGCPSA-N 2 2 332.448 1.727 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OCC(N)=O ZINC000848575351 595406857 /nfs/dbraw/zinc/40/68/57/595406857.db2.gz PAHCDLXWNUUNIC-HOTGVXAUSA-N 2 2 347.459 1.666 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OCC(N)=O ZINC000848575351 595406860 /nfs/dbraw/zinc/40/68/60/595406860.db2.gz PAHCDLXWNUUNIC-HOTGVXAUSA-N 2 2 347.459 1.666 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000849064288 595477015 /nfs/dbraw/zinc/47/70/15/595477015.db2.gz MBVVMTCFCHFVJJ-KRWDZBQOSA-N 3 2 326.448 1.971 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000849064288 595477018 /nfs/dbraw/zinc/47/70/18/595477018.db2.gz MBVVMTCFCHFVJJ-KRWDZBQOSA-N 3 2 326.448 1.971 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC2)c1 ZINC000852865778 595585952 /nfs/dbraw/zinc/58/59/52/595585952.db2.gz OWYASEBLGTXCSR-XJKSGUPXSA-N 2 2 346.431 1.004 20 0 EDADLP [NH3+]C[C@H]1CC(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)=NO1 ZINC000852867159 595586861 /nfs/dbraw/zinc/58/68/61/595586861.db2.gz RQXXBVAMRJGDTL-CQSZACIVSA-N 2 2 331.420 1.182 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccnc1Br ZINC000855414770 595704504 /nfs/dbraw/zinc/70/45/04/595704504.db2.gz LLESRWQPNYFKCU-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccnc1Br ZINC000855414770 595704505 /nfs/dbraw/zinc/70/45/05/595704505.db2.gz LLESRWQPNYFKCU-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP O=C1O[C@@]2(CN1C[NH+]1CCC(c3ccon3)CC1)C[NH+]1CCC2CC1 ZINC000853590108 595818317 /nfs/dbraw/zinc/81/83/17/595818317.db2.gz QRXQMIDFJXHYFH-GOSISDBHSA-N 2 2 346.431 1.728 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[N@H+]3CCC[C@@H]3C)cc2[nH+]1 ZINC000850384668 595823889 /nfs/dbraw/zinc/82/38/89/595823889.db2.gz OBPNQYZDQXEGOE-ZDUSSCGKSA-N 2 2 329.404 1.182 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@@H]3C)cc2[nH+]1 ZINC000850384668 595823892 /nfs/dbraw/zinc/82/38/92/595823892.db2.gz OBPNQYZDQXEGOE-ZDUSSCGKSA-N 2 2 329.404 1.182 20 0 EDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)Cn1cncn1 ZINC000850451482 595836461 /nfs/dbraw/zinc/83/64/61/595836461.db2.gz BFZLBPFYDWGGPS-OAHLLOKOSA-N 2 2 344.463 1.929 20 0 EDADLP C[C@@H](O[NH+]=C(N)CCO)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000853687307 595856166 /nfs/dbraw/zinc/85/61/66/595856166.db2.gz OEYPPRSTWTZUBB-CQSZACIVSA-N 2 2 348.447 1.037 20 0 EDADLP O=C1NCCCN1c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000854232627 596009645 /nfs/dbraw/zinc/00/96/45/596009645.db2.gz WALCNYZJMOYWOJ-ROUUACIJSA-N 2 2 344.459 1.463 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N(C)C[C@@H](C)[NH3+])cc1 ZINC000861549033 596025476 /nfs/dbraw/zinc/02/54/76/596025476.db2.gz DLMDZQVPDHJPFC-NVXWUHKLSA-N 2 2 334.464 1.357 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000852053726 596025559 /nfs/dbraw/zinc/02/55/59/596025559.db2.gz FSDOUFZBBNZGRB-ZNMIVQPWSA-N 2 2 329.485 1.675 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000852053726 596025563 /nfs/dbraw/zinc/02/55/63/596025563.db2.gz FSDOUFZBBNZGRB-ZNMIVQPWSA-N 2 2 329.485 1.675 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000852053726 596025567 /nfs/dbraw/zinc/02/55/67/596025567.db2.gz FSDOUFZBBNZGRB-ZNMIVQPWSA-N 2 2 329.485 1.675 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000852053726 596025573 /nfs/dbraw/zinc/02/55/73/596025573.db2.gz FSDOUFZBBNZGRB-ZNMIVQPWSA-N 2 2 329.485 1.675 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N(C)C[C@H](C)[NH3+])c1[nH+]ccn1C ZINC000861550090 596026305 /nfs/dbraw/zinc/02/63/05/596026305.db2.gz BJGQCNXUIXIBNG-WFASDCNBSA-N 2 2 331.420 1.507 20 0 EDADLP Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Cl)n1 ZINC000856776490 596080321 /nfs/dbraw/zinc/08/03/21/596080321.db2.gz SZQOMBYNFMXGPC-INIZCTEOSA-N 2 2 334.851 1.930 20 0 EDADLP Cn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Cl)n1 ZINC000856776490 596080326 /nfs/dbraw/zinc/08/03/26/596080326.db2.gz SZQOMBYNFMXGPC-INIZCTEOSA-N 2 2 334.851 1.930 20 0 EDADLP CO/C(=C\c1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000857122654 596163673 /nfs/dbraw/zinc/16/36/73/596163673.db2.gz KNPLAUHKKOGWKK-FJSNCCPHSA-N 2 2 343.471 1.959 20 0 EDADLP CO/C(=C\c1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000857122654 596163674 /nfs/dbraw/zinc/16/36/74/596163674.db2.gz KNPLAUHKKOGWKK-FJSNCCPHSA-N 2 2 343.471 1.959 20 0 EDADLP C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866519048 596238250 /nfs/dbraw/zinc/23/82/50/596238250.db2.gz LFVZCEHCZKAQGF-KBXCAEBGSA-N 2 2 342.399 1.744 20 0 EDADLP O=C([C@H]1CCCN(CC(F)F)C1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000868631177 596253380 /nfs/dbraw/zinc/25/33/80/596253380.db2.gz GXWGJLJCWHPCLS-GJZGRUSLSA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000868631177 596253383 /nfs/dbraw/zinc/25/33/83/596253383.db2.gz GXWGJLJCWHPCLS-GJZGRUSLSA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000868631177 596253386 /nfs/dbraw/zinc/25/33/86/596253386.db2.gz GXWGJLJCWHPCLS-GJZGRUSLSA-N 2 2 345.434 1.287 20 0 EDADLP CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000870487922 596260386 /nfs/dbraw/zinc/26/03/86/596260386.db2.gz XZNDUYKSBYBOGP-RHSMWYFYSA-N 2 2 335.379 1.668 20 0 EDADLP CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000870487922 596260388 /nfs/dbraw/zinc/26/03/88/596260388.db2.gz XZNDUYKSBYBOGP-RHSMWYFYSA-N 2 2 335.379 1.668 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000864564007 596266413 /nfs/dbraw/zinc/26/64/13/596266413.db2.gz NROMEBMKKXLBBZ-UONOGXRCSA-N 2 2 329.404 1.115 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000118842168 596296083 /nfs/dbraw/zinc/29/60/83/596296083.db2.gz XMQMQGUYFVMJQX-CYBMUJFWSA-N 2 2 329.466 1.304 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000118842168 596296086 /nfs/dbraw/zinc/29/60/86/596296086.db2.gz XMQMQGUYFVMJQX-CYBMUJFWSA-N 2 2 329.466 1.304 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000118842168 596296087 /nfs/dbraw/zinc/29/60/87/596296087.db2.gz XMQMQGUYFVMJQX-CYBMUJFWSA-N 2 2 329.466 1.304 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000118842168 596296088 /nfs/dbraw/zinc/29/60/88/596296088.db2.gz XMQMQGUYFVMJQX-CYBMUJFWSA-N 2 2 329.466 1.304 20 0 EDADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714517 596306937 /nfs/dbraw/zinc/30/69/37/596306937.db2.gz QNTBJGVECBHMGK-SYQHCUMBSA-N 2 2 348.447 1.900 20 0 EDADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714517 596306939 /nfs/dbraw/zinc/30/69/39/596306939.db2.gz QNTBJGVECBHMGK-SYQHCUMBSA-N 2 2 348.447 1.900 20 0 EDADLP CCO[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@@H]1CCOC1 ZINC000870665561 596314300 /nfs/dbraw/zinc/31/43/00/596314300.db2.gz ZDFPCLIDBFBWKO-RHSMWYFYSA-N 2 2 348.447 1.214 20 0 EDADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868850053 596325832 /nfs/dbraw/zinc/32/58/32/596325832.db2.gz APBQNIDHKMNUBB-ONEGZZNKSA-N 2 2 337.489 1.527 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000870862828 596381141 /nfs/dbraw/zinc/38/11/41/596381141.db2.gz BVHSRHUHRCKISJ-BZSNNMDCSA-N 2 2 331.460 1.694 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000864865729 596395402 /nfs/dbraw/zinc/39/54/02/596395402.db2.gz GCIVLXIKJKWICI-OAHLLOKOSA-N 2 2 346.466 1.107 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000864865729 596395407 /nfs/dbraw/zinc/39/54/07/596395407.db2.gz GCIVLXIKJKWICI-OAHLLOKOSA-N 2 2 346.466 1.107 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000870977230 596424084 /nfs/dbraw/zinc/42/40/84/596424084.db2.gz CIEMSQJNXNNUKV-SJLPKXTDSA-N 2 2 333.476 1.700 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000870977230 596424087 /nfs/dbraw/zinc/42/40/87/596424087.db2.gz CIEMSQJNXNNUKV-SJLPKXTDSA-N 2 2 333.476 1.700 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C2)cc1 ZINC000870979428 596426988 /nfs/dbraw/zinc/42/69/88/596426988.db2.gz KZUHHGLMMFXVOC-GJZGRUSLSA-N 2 2 341.402 1.295 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C2)cc1 ZINC000870979428 596426991 /nfs/dbraw/zinc/42/69/91/596426991.db2.gz KZUHHGLMMFXVOC-GJZGRUSLSA-N 2 2 341.402 1.295 20 0 EDADLP C[NH+](C)C1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC1 ZINC000870990651 596431824 /nfs/dbraw/zinc/43/18/24/596431824.db2.gz AFPZZEHQRYDQSX-UHFFFAOYSA-N 2 2 334.489 1.735 20 0 EDADLP C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000869243385 596459689 /nfs/dbraw/zinc/45/96/89/596459689.db2.gz QNFPBXAXPQLFHH-WMLDXEAASA-N 2 2 339.455 1.290 20 0 EDADLP C[C@@H](c1ccccc1F)[C@@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000869243385 596459693 /nfs/dbraw/zinc/45/96/93/596459693.db2.gz QNFPBXAXPQLFHH-WMLDXEAASA-N 2 2 339.455 1.290 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+](CC(F)F)C2)[C@@H](C)CO1 ZINC000869245194 596460255 /nfs/dbraw/zinc/46/02/55/596460255.db2.gz YSJMACCWHOOZFR-MJBXVCDLSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+](CC(F)F)C2)[C@@H](C)CO1 ZINC000869245194 596460256 /nfs/dbraw/zinc/46/02/56/596460256.db2.gz YSJMACCWHOOZFR-MJBXVCDLSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)[C@@H](C)CO1 ZINC000869245194 596460258 /nfs/dbraw/zinc/46/02/58/596460258.db2.gz YSJMACCWHOOZFR-MJBXVCDLSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)[C@@H](C)CO1 ZINC000869245194 596460260 /nfs/dbraw/zinc/46/02/60/596460260.db2.gz YSJMACCWHOOZFR-MJBXVCDLSA-N 2 2 333.423 1.189 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000862961138 596466994 /nfs/dbraw/zinc/46/69/94/596466994.db2.gz SBTGIYBLLYMLHE-UHFFFAOYSA-N 2 2 328.416 1.661 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)/C=C/C[NH+]3CCOCC3)C2)cc1 ZINC000871188978 596493710 /nfs/dbraw/zinc/49/37/10/596493710.db2.gz WKFDBAAGCGMHIS-LSTKMXGYSA-N 2 2 343.471 1.574 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)/C=C/C[NH+]3CCOCC3)C2)cc1 ZINC000871188978 596493711 /nfs/dbraw/zinc/49/37/11/596493711.db2.gz WKFDBAAGCGMHIS-LSTKMXGYSA-N 2 2 343.471 1.574 20 0 EDADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000865160097 596495234 /nfs/dbraw/zinc/49/52/34/596495234.db2.gz YJXMVLLMHCBBOS-VMPITWQZSA-N 2 2 345.487 1.774 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCCC[NH+](C)C)C2)cc1 ZINC000867980918 596643571 /nfs/dbraw/zinc/64/35/71/596643571.db2.gz BXLYQVASXIXIRJ-GOSISDBHSA-N 2 2 348.491 1.447 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCCC[NH+](C)C)C2)cc1 ZINC000867980918 596643572 /nfs/dbraw/zinc/64/35/72/596643572.db2.gz BXLYQVASXIXIRJ-GOSISDBHSA-N 2 2 348.491 1.447 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C3(C)OCCO3)cc2)n1C ZINC000865668893 596644485 /nfs/dbraw/zinc/64/44/85/596644485.db2.gz RTOZMDFKLXWOIA-UHFFFAOYSA-N 2 2 330.432 1.995 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000867999175 596649799 /nfs/dbraw/zinc/64/97/99/596649799.db2.gz UCVZMXMVKATHOD-YOEHRIQHSA-N 2 2 340.431 1.119 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000867999175 596649801 /nfs/dbraw/zinc/64/98/01/596649801.db2.gz UCVZMXMVKATHOD-YOEHRIQHSA-N 2 2 340.431 1.119 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)CC[C@@H]21 ZINC000868029422 596660991 /nfs/dbraw/zinc/66/09/91/596660991.db2.gz XMSPOLHNWRJEPK-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)CC[C@@H]21 ZINC000868029422 596660992 /nfs/dbraw/zinc/66/09/92/596660992.db2.gz XMSPOLHNWRJEPK-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H](O)[C@H](C)O)c[nH+]c12 ZINC000865739950 596666048 /nfs/dbraw/zinc/66/60/48/596666048.db2.gz YAHXPLNFYFELLH-JOYOIKCWSA-N 2 2 328.210 1.237 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000868159767 596706211 /nfs/dbraw/zinc/70/62/11/596706211.db2.gz XKCJXJFJNGYDAS-SHCNBLLESA-N 2 2 347.459 1.303 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)cc2C1 ZINC000868206250 596723468 /nfs/dbraw/zinc/72/34/68/596723468.db2.gz UXRUPXQNJWGBCZ-GOEBONIOSA-N 2 2 346.479 1.715 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)cc2C1 ZINC000868206250 596723470 /nfs/dbraw/zinc/72/34/70/596723470.db2.gz UXRUPXQNJWGBCZ-GOEBONIOSA-N 2 2 346.479 1.715 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)CC[C@H]21 ZINC000868219958 596731650 /nfs/dbraw/zinc/73/16/50/596731650.db2.gz ODAGHHQMZDIFJO-NWDGAFQWSA-N 2 2 345.369 1.681 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)CC[C@H]21 ZINC000868219958 596731654 /nfs/dbraw/zinc/73/16/54/596731654.db2.gz ODAGHHQMZDIFJO-NWDGAFQWSA-N 2 2 345.369 1.681 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870085578 596742895 /nfs/dbraw/zinc/74/28/95/596742895.db2.gz NPSPCAKVBOSLAC-RHSMWYFYSA-N 2 2 326.400 1.324 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000868287072 596766979 /nfs/dbraw/zinc/76/69/79/596766979.db2.gz TZPSZNXJLODNQB-RLFYNMQTSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000868287072 596766980 /nfs/dbraw/zinc/76/69/80/596766980.db2.gz TZPSZNXJLODNQB-RLFYNMQTSA-N 2 2 346.475 1.582 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)/C=C\C[NH+]3CCOCC3)CC[NH2+]2)c1 ZINC000870152038 596775647 /nfs/dbraw/zinc/77/56/47/596775647.db2.gz GIHITLGRZKLZEI-CJISVDGZSA-N 2 2 345.443 1.057 20 0 EDADLP Cc1c(-c2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)on2)cnn1C ZINC000872149473 596812863 /nfs/dbraw/zinc/81/28/63/596812863.db2.gz OSMNIKFRLOGUKZ-MFKMUULPSA-N 2 2 343.353 1.953 20 0 EDADLP Cc1c(-c2cc(C[N@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)on2)cnn1C ZINC000872149473 596812865 /nfs/dbraw/zinc/81/28/65/596812865.db2.gz OSMNIKFRLOGUKZ-MFKMUULPSA-N 2 2 343.353 1.953 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000866412168 596880185 /nfs/dbraw/zinc/88/01/85/596880185.db2.gz AICJJAMTDUNDAJ-PLNGDYQASA-N 2 2 335.492 1.788 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000872644386 597006634 /nfs/dbraw/zinc/00/66/34/597006634.db2.gz HNROVEBBRIQONV-MRXNPFEDSA-N 2 2 345.491 1.644 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)C[C@@H]1C(F)(F)F ZINC000874434015 597076494 /nfs/dbraw/zinc/07/64/94/597076494.db2.gz XWODXFZDWHNEDI-JQWIXIFHSA-N 2 2 341.337 1.613 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)C[C@H]1C(F)(F)F ZINC000874434014 597076636 /nfs/dbraw/zinc/07/66/36/597076636.db2.gz XWODXFZDWHNEDI-CMPLNLGQSA-N 2 2 341.337 1.613 20 0 EDADLP CCOC(=O)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000874462323 597090346 /nfs/dbraw/zinc/09/03/46/597090346.db2.gz LGBBVBFTIRZANL-HOCLYGCPSA-N 2 2 339.480 1.106 20 0 EDADLP CCOC(=O)[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000874462323 597090350 /nfs/dbraw/zinc/09/03/50/597090350.db2.gz LGBBVBFTIRZANL-HOCLYGCPSA-N 2 2 339.480 1.106 20 0 EDADLP CC(=O)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000872903657 597117962 /nfs/dbraw/zinc/11/79/62/597117962.db2.gz QNTOEOVORVYBJF-MRXNPFEDSA-N 2 2 336.480 1.166 20 0 EDADLP CC(=O)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000872903657 597117965 /nfs/dbraw/zinc/11/79/65/597117965.db2.gz QNTOEOVORVYBJF-MRXNPFEDSA-N 2 2 336.480 1.166 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(O)c(Cl)c3)cn2)CC1 ZINC000873179445 597220118 /nfs/dbraw/zinc/22/01/18/597220118.db2.gz QERJGVJSALRREL-UHFFFAOYSA-N 2 2 347.850 1.877 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000874993213 597234790 /nfs/dbraw/zinc/23/47/90/597234790.db2.gz FDIAOILNRRFVEO-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000874993213 597234792 /nfs/dbraw/zinc/23/47/92/597234792.db2.gz FDIAOILNRRFVEO-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP Cn1ncc(I)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000873275892 597245944 /nfs/dbraw/zinc/24/59/44/597245944.db2.gz LDLNVMSINDVJHS-BDAKNGLRSA-N 2 2 334.205 1.384 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000875041057 597256389 /nfs/dbraw/zinc/25/63/89/597256389.db2.gz CROJIJFAQITCCO-INIZCTEOSA-N 2 2 345.447 1.287 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000875041057 597256392 /nfs/dbraw/zinc/25/63/92/597256392.db2.gz CROJIJFAQITCCO-INIZCTEOSA-N 2 2 345.447 1.287 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000875086368 597275788 /nfs/dbraw/zinc/27/57/88/597275788.db2.gz SHLKASJZWLRAHL-MRXNPFEDSA-N 2 2 349.479 1.602 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000875086368 597275790 /nfs/dbraw/zinc/27/57/90/597275790.db2.gz SHLKASJZWLRAHL-MRXNPFEDSA-N 2 2 349.479 1.602 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000875126986 597292661 /nfs/dbraw/zinc/29/26/61/597292661.db2.gz GKUSWAQFNSMZKI-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000875126986 597292663 /nfs/dbraw/zinc/29/26/63/597292663.db2.gz GKUSWAQFNSMZKI-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000875132193 597294824 /nfs/dbraw/zinc/29/48/24/597294824.db2.gz NLNRSNIDGDATKM-INIZCTEOSA-N 2 2 345.447 1.553 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000875132193 597294826 /nfs/dbraw/zinc/29/48/26/597294826.db2.gz NLNRSNIDGDATKM-INIZCTEOSA-N 2 2 345.447 1.553 20 0 EDADLP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000876750381 597321396 /nfs/dbraw/zinc/32/13/96/597321396.db2.gz SIGFZHSNRUIDER-FYCOFBDGSA-N 2 2 329.444 1.592 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)([NH+]2CCCCC2)CC1 ZINC000876784998 597339479 /nfs/dbraw/zinc/33/94/79/597339479.db2.gz NJPCQJFJUXBVIG-XLIONFOSSA-N 3 2 348.535 1.585 20 0 EDADLP Cc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](CC(C)(C)O)CC3)C2=O)cc1 ZINC000877043273 597420311 /nfs/dbraw/zinc/42/03/11/597420311.db2.gz DORUVMDUAGRXKU-SFHVURJKSA-N 2 2 345.487 1.925 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000875428586 597424560 /nfs/dbraw/zinc/42/45/60/597424560.db2.gz NAIONQMPCGFIPL-HYVNUMGLSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)C[C@H]([NH2+]Cc1nc(Cl)cs1)C(=O)NCC[NH+](C)C ZINC000877126139 597438405 /nfs/dbraw/zinc/43/84/05/597438405.db2.gz FOGJQUOALZGOHT-NSHDSACASA-N 2 2 332.901 1.979 20 0 EDADLP COc1ccccc1[C@H](NC(=O)C[NH+]1CCCC1)c1[nH+]ccn1C ZINC000873897665 597438971 /nfs/dbraw/zinc/43/89/71/597438971.db2.gz RDTPFZLMRKHOJX-KRWDZBQOSA-N 2 2 328.416 1.730 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000877251665 597479970 /nfs/dbraw/zinc/47/99/70/597479970.db2.gz TVAOJKWCZBHVAQ-UHFFFAOYSA-N 2 2 342.487 1.184 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000877690451 597547850 /nfs/dbraw/zinc/54/78/50/597547850.db2.gz YIANTQHRUNPWRQ-WBVHZDCISA-N 2 2 339.505 1.426 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000877690451 597547851 /nfs/dbraw/zinc/54/78/51/597547851.db2.gz YIANTQHRUNPWRQ-WBVHZDCISA-N 2 2 339.505 1.426 20 0 EDADLP O=S1(=O)C[C@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000877788275 597556706 /nfs/dbraw/zinc/55/67/06/597556706.db2.gz UQUNRIXVXPDWKO-CVEARBPZSA-N 2 2 331.441 1.739 20 0 EDADLP O=S1(=O)C[C@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000877788275 597556707 /nfs/dbraw/zinc/55/67/07/597556707.db2.gz UQUNRIXVXPDWKO-CVEARBPZSA-N 2 2 331.441 1.739 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878108915 597579240 /nfs/dbraw/zinc/57/92/40/597579240.db2.gz KENZRLZNIOHJIU-KRWDZBQOSA-N 2 2 326.481 1.493 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878108915 597579241 /nfs/dbraw/zinc/57/92/41/597579241.db2.gz KENZRLZNIOHJIU-KRWDZBQOSA-N 2 2 326.481 1.493 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000878118123 597579836 /nfs/dbraw/zinc/57/98/36/597579836.db2.gz GCBLMWUCKFEUBV-CYBMUJFWSA-N 2 2 337.386 1.240 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000878118123 597579837 /nfs/dbraw/zinc/57/98/37/597579837.db2.gz GCBLMWUCKFEUBV-CYBMUJFWSA-N 2 2 337.386 1.240 20 0 EDADLP CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878478847 597609041 /nfs/dbraw/zinc/60/90/41/597609041.db2.gz SBDLWNJDJLQHNJ-AWEZNQCLSA-N 2 2 337.386 1.240 20 0 EDADLP CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878478847 597609044 /nfs/dbraw/zinc/60/90/44/597609044.db2.gz SBDLWNJDJLQHNJ-AWEZNQCLSA-N 2 2 337.386 1.240 20 0 EDADLP O[C@H](C[C@@H](O)c1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878551893 597632246 /nfs/dbraw/zinc/63/22/46/597632246.db2.gz JZQRKFXJURCKTG-VAMGGRTRSA-N 2 2 348.487 1.658 20 0 EDADLP O[C@H](C[C@@H](O)c1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878551893 597632248 /nfs/dbraw/zinc/63/22/48/597632248.db2.gz JZQRKFXJURCKTG-VAMGGRTRSA-N 2 2 348.487 1.658 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c3c(nn2C)CCSC3)CCCO1 ZINC000883103802 597651347 /nfs/dbraw/zinc/65/13/47/597651347.db2.gz GLUYJPKNCAWLDS-CQSZACIVSA-N 2 2 338.521 1.800 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c3c(nn2C)CCSC3)CCCO1 ZINC000883103802 597651349 /nfs/dbraw/zinc/65/13/49/597651349.db2.gz GLUYJPKNCAWLDS-CQSZACIVSA-N 2 2 338.521 1.800 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883118194 597656967 /nfs/dbraw/zinc/65/69/67/597656967.db2.gz QFSDKJXMWLWJDY-HZPDHXFCSA-N 2 2 347.463 1.022 20 0 EDADLP Cc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c(Cl)n1 ZINC000883292179 597702670 /nfs/dbraw/zinc/70/26/70/597702670.db2.gz GDCAXBHTAFIUKL-UHFFFAOYSA-N 2 2 346.866 1.875 20 0 EDADLP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C12CCC2 ZINC000883371736 597726141 /nfs/dbraw/zinc/72/61/41/597726141.db2.gz XZMQHEZKKLDPAQ-FGTMMUONSA-N 2 2 337.508 1.330 20 0 EDADLP OC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883423722 597742190 /nfs/dbraw/zinc/74/21/90/597742190.db2.gz SVXZLAAIAPXWTI-YESZJQIVSA-N 2 2 341.858 1.691 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880132999 597850510 /nfs/dbraw/zinc/85/05/10/597850510.db2.gz RWCKVGALVGLWII-HOTGVXAUSA-N 2 2 330.432 1.893 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880132999 597850512 /nfs/dbraw/zinc/85/05/12/597850512.db2.gz RWCKVGALVGLWII-HOTGVXAUSA-N 2 2 330.432 1.893 20 0 EDADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880132999 597850515 /nfs/dbraw/zinc/85/05/15/597850515.db2.gz RWCKVGALVGLWII-HOTGVXAUSA-N 2 2 330.432 1.893 20 0 EDADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880132999 597850518 /nfs/dbraw/zinc/85/05/18/597850518.db2.gz RWCKVGALVGLWII-HOTGVXAUSA-N 2 2 330.432 1.893 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)CCN1c1cc[nH+]cc1 ZINC000883686445 597862281 /nfs/dbraw/zinc/86/22/81/597862281.db2.gz JFPDZLQKWGMMJN-AWEZNQCLSA-N 2 2 328.420 1.278 20 0 EDADLP COC(=O)CCCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880253423 597883910 /nfs/dbraw/zinc/88/39/10/597883910.db2.gz PDWDSJPYAHAEDH-UHFFFAOYSA-N 2 2 325.453 1.136 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261983 597886105 /nfs/dbraw/zinc/88/61/05/597886105.db2.gz QDMYFWZHLZXZMJ-UONOGXRCSA-N 2 2 333.436 1.215 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261983 597886108 /nfs/dbraw/zinc/88/61/08/597886108.db2.gz QDMYFWZHLZXZMJ-UONOGXRCSA-N 2 2 333.436 1.215 20 0 EDADLP O=C(CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)N1CCOCC1 ZINC000880571435 597967514 /nfs/dbraw/zinc/96/75/14/597967514.db2.gz PGJVIELRRIHFLG-KRWDZBQOSA-N 2 2 328.416 1.463 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000880614526 597981785 /nfs/dbraw/zinc/98/17/85/597981785.db2.gz HKZKYAYFKLGIDS-MRXNPFEDSA-N 2 2 335.452 1.376 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000880614526 597981788 /nfs/dbraw/zinc/98/17/88/597981788.db2.gz HKZKYAYFKLGIDS-MRXNPFEDSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)[C@H](C)[NH+]1CCOCC1 ZINC000884212518 598030743 /nfs/dbraw/zinc/03/07/43/598030743.db2.gz HESAJJPWOMPDFV-JKIFEVAISA-N 2 2 344.459 1.263 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000884401009 598093999 /nfs/dbraw/zinc/09/39/99/598093999.db2.gz BKJSYQCCFMFSBK-LSDHHAIUSA-N 2 2 335.448 1.124 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000884401009 598094003 /nfs/dbraw/zinc/09/40/03/598094003.db2.gz BKJSYQCCFMFSBK-LSDHHAIUSA-N 2 2 335.448 1.124 20 0 EDADLP C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000884463687 598112408 /nfs/dbraw/zinc/11/24/08/598112408.db2.gz PMOQBGZOTREPKE-DOMZBBRYSA-N 2 2 340.431 1.519 20 0 EDADLP CN(C)c1cc(Cn2cc(COc3ccccc3C[NH3+])nn2)cc[nH+]1 ZINC000881366120 598134235 /nfs/dbraw/zinc/13/42/35/598134235.db2.gz WJXMJKYQBXBSIH-UHFFFAOYSA-N 2 2 338.415 1.825 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000914293980 695341129 /nfs/dbraw/zinc/34/11/29/695341129.db2.gz SHSRNBXLPULTPW-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1 ZINC000939856766 699995727 /nfs/dbraw/zinc/99/57/27/699995727.db2.gz PLUGESUZARCPKL-SJLPKXTDSA-N 2 2 326.444 1.871 20 0 EDADLP Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)n1 ZINC000992854111 695409681 /nfs/dbraw/zinc/40/96/81/695409681.db2.gz GNWUIBGLKKWVPY-VNQPRFMTSA-N 2 2 342.447 1.103 20 0 EDADLP Cc1ccc(F)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c1 ZINC000939855636 699993781 /nfs/dbraw/zinc/99/37/81/699993781.db2.gz FGLGFYZTSHNXDW-YOEHRIQHSA-N 2 2 330.407 1.967 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939855700 699993823 /nfs/dbraw/zinc/99/38/23/699993823.db2.gz GMKWLDJOVUZXHW-BLLLJJGKSA-N 2 2 334.370 1.798 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nncs3)[C@@H]2C1 ZINC000992908684 695445016 /nfs/dbraw/zinc/44/50/16/695445016.db2.gz ACDBJUUZNXLULA-MJBXVCDLSA-N 2 2 346.460 1.152 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N[C@@H](CC)C[NH+]2CCOCC2)CC1 ZINC000915712057 695976185 /nfs/dbraw/zinc/97/61/85/695976185.db2.gz OYBFYGLNQOTRCR-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP Cc1cc(C)n(CC[NH+]2CC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)n1 ZINC001031253635 696023338 /nfs/dbraw/zinc/02/33/38/696023338.db2.gz IVENWEQDQGCNHP-AEFFLSMTSA-N 2 2 347.507 1.421 20 0 EDADLP Cc1cccc(OCC[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001031263134 696074163 /nfs/dbraw/zinc/07/41/63/696074163.db2.gz FMZQIDMEGCIOEH-UHFFFAOYSA-N 2 2 329.444 1.270 20 0 EDADLP C[C@@H]1C[C@H](C[NH+]2CC(NC(=O)c3c[nH+]ccc3N(C)C)C2)CCO1 ZINC001031267826 696082081 /nfs/dbraw/zinc/08/20/81/696082081.db2.gz XAZTZXDXRFVPEO-ZIAGYGMSSA-N 2 2 332.448 1.377 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)on1 ZINC000993604111 696253917 /nfs/dbraw/zinc/25/39/17/696253917.db2.gz CEQSHNDPENLDSP-GDBMZVCRSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)on1 ZINC000993604111 696253919 /nfs/dbraw/zinc/25/39/19/696253919.db2.gz CEQSHNDPENLDSP-GDBMZVCRSA-N 2 2 331.420 1.657 20 0 EDADLP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccn(C)n1 ZINC000993926558 696446488 /nfs/dbraw/zinc/44/64/88/696446488.db2.gz JKYKSKTXDNNQKD-MAUKXSAKSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccn(C)n1 ZINC000993926558 696446490 /nfs/dbraw/zinc/44/64/90/696446490.db2.gz JKYKSKTXDNNQKD-MAUKXSAKSA-N 2 2 347.507 1.621 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)c3)[C@H]2C)CC1 ZINC000994050481 696506926 /nfs/dbraw/zinc/50/69/26/696506926.db2.gz IVGYTUAGGMRQDM-FUHWJXTLSA-N 2 2 347.507 1.621 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)[C@H]2C)CC1 ZINC000994050481 696506928 /nfs/dbraw/zinc/50/69/28/696506928.db2.gz IVGYTUAGGMRQDM-FUHWJXTLSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000444182092 696590492 /nfs/dbraw/zinc/59/04/92/696590492.db2.gz BZUJQWRPCPTYCA-PMPSAXMXSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000444182092 696590496 /nfs/dbraw/zinc/59/04/96/696590496.db2.gz BZUJQWRPCPTYCA-PMPSAXMXSA-N 2 2 331.464 1.936 20 0 EDADLP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)cn1 ZINC000994260463 696673618 /nfs/dbraw/zinc/67/36/18/696673618.db2.gz YPIPIFJOFGKABQ-RDJZCZTQSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)cn1 ZINC000994260463 696673620 /nfs/dbraw/zinc/67/36/20/696673620.db2.gz YPIPIFJOFGKABQ-RDJZCZTQSA-N 2 2 343.475 1.350 20 0 EDADLP CCc1nocc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994406816 696830344 /nfs/dbraw/zinc/83/03/44/696830344.db2.gz KVRYWBOFNNWSEN-RHSMWYFYSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1nocc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994406816 696830347 /nfs/dbraw/zinc/83/03/47/696830347.db2.gz KVRYWBOFNNWSEN-RHSMWYFYSA-N 2 2 334.464 1.802 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)o1 ZINC000994422796 696844929 /nfs/dbraw/zinc/84/49/29/696844929.db2.gz NSMALDMMNAFWQR-CZUORRHYSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)o1 ZINC000994422796 696844931 /nfs/dbraw/zinc/84/49/31/696844931.db2.gz NSMALDMMNAFWQR-CZUORRHYSA-N 2 2 345.447 1.966 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031439893 697108487 /nfs/dbraw/zinc/10/84/87/697108487.db2.gz KVLKWBXHGVFRHH-ZWKOTPCHSA-N 2 2 337.508 1.602 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031439893 697108489 /nfs/dbraw/zinc/10/84/89/697108489.db2.gz KVLKWBXHGVFRHH-ZWKOTPCHSA-N 2 2 337.508 1.602 20 0 EDADLP C[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)[NH+]1CCCCC1 ZINC000918118917 697133445 /nfs/dbraw/zinc/13/34/45/697133445.db2.gz FFLVUFUBNCBQFS-HNNXBMFYSA-N 2 2 333.480 1.936 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001031579398 697275203 /nfs/dbraw/zinc/27/52/03/697275203.db2.gz HWZBCHGVOLSHQQ-MRXNPFEDSA-N 2 2 332.448 1.123 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001031579398 697275205 /nfs/dbraw/zinc/27/52/05/697275205.db2.gz HWZBCHGVOLSHQQ-MRXNPFEDSA-N 2 2 332.448 1.123 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2nsc3ccccc32)C1 ZINC001031585253 697280945 /nfs/dbraw/zinc/28/09/45/697280945.db2.gz USASMZVUSCGEGW-INIZCTEOSA-N 2 2 344.484 1.939 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2nsc3ccccc32)C1 ZINC001031585253 697280946 /nfs/dbraw/zinc/28/09/46/697280946.db2.gz USASMZVUSCGEGW-INIZCTEOSA-N 2 2 344.484 1.939 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920421823 697429194 /nfs/dbraw/zinc/42/91/94/697429194.db2.gz RKSRONVWDOXCSN-UHFFFAOYSA-N 2 2 349.479 1.636 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000920421823 697429196 /nfs/dbraw/zinc/42/91/96/697429196.db2.gz RKSRONVWDOXCSN-UHFFFAOYSA-N 2 2 349.479 1.636 20 0 EDADLP COc1ccnc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031665613 697445743 /nfs/dbraw/zinc/44/57/43/697445743.db2.gz BRPAZUYIAFRDGL-GOSISDBHSA-N 2 2 346.475 1.511 20 0 EDADLP COc1ccnc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031665613 697445747 /nfs/dbraw/zinc/44/57/47/697445747.db2.gz BRPAZUYIAFRDGL-GOSISDBHSA-N 2 2 346.475 1.511 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC001031682535 697502842 /nfs/dbraw/zinc/50/28/42/697502842.db2.gz OBLMLAUGZJDGHK-BXUZGUMPSA-N 2 2 338.477 1.040 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC001031682535 697502844 /nfs/dbraw/zinc/50/28/44/697502844.db2.gz OBLMLAUGZJDGHK-BXUZGUMPSA-N 2 2 338.477 1.040 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000921149931 697519569 /nfs/dbraw/zinc/51/95/69/697519569.db2.gz CFVJWUUVTOSLMZ-KRWDZBQOSA-N 2 2 342.528 1.905 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921434949 697611143 /nfs/dbraw/zinc/61/11/43/697611143.db2.gz RNCIQICONSTIKP-FZMZJTMJSA-N 2 2 337.493 1.487 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921434949 697611144 /nfs/dbraw/zinc/61/11/44/697611144.db2.gz RNCIQICONSTIKP-FZMZJTMJSA-N 2 2 337.493 1.487 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001031711917 697723186 /nfs/dbraw/zinc/72/31/86/697723186.db2.gz NBVRAKHORJYISN-KRWDZBQOSA-N 2 2 334.439 1.643 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001031711917 697723188 /nfs/dbraw/zinc/72/31/88/697723188.db2.gz NBVRAKHORJYISN-KRWDZBQOSA-N 2 2 334.439 1.643 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)n1 ZINC000943176761 697871212 /nfs/dbraw/zinc/87/12/12/697871212.db2.gz LKTATYSCJYUGTA-SUMWQHHRSA-N 2 2 344.463 1.292 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)n1 ZINC000943176761 697871215 /nfs/dbraw/zinc/87/12/15/697871215.db2.gz LKTATYSCJYUGTA-SUMWQHHRSA-N 2 2 344.463 1.292 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001031744604 698344160 /nfs/dbraw/zinc/34/41/60/698344160.db2.gz KRWINFYAMIDJNR-MRVWCRGKSA-N 2 2 338.402 1.997 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001031744604 698344163 /nfs/dbraw/zinc/34/41/63/698344163.db2.gz KRWINFYAMIDJNR-MRVWCRGKSA-N 2 2 338.402 1.997 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943765579 698816248 /nfs/dbraw/zinc/81/62/48/698816248.db2.gz DPVPYRNMJOZIHT-TZMCWYRMSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943765579 698816251 /nfs/dbraw/zinc/81/62/51/698816251.db2.gz DPVPYRNMJOZIHT-TZMCWYRMSA-N 2 2 347.488 1.786 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)o1 ZINC000943766342 698817419 /nfs/dbraw/zinc/81/74/19/698817419.db2.gz HNCXSQBGASPLHL-TZMCWYRMSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)o1 ZINC000943766342 698817424 /nfs/dbraw/zinc/81/74/24/698817424.db2.gz HNCXSQBGASPLHL-TZMCWYRMSA-N 2 2 345.447 1.838 20 0 EDADLP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767229 698838786 /nfs/dbraw/zinc/83/87/86/698838786.db2.gz SPUFMTJLYOAKSC-OCCSQVGLSA-N 2 2 333.461 1.478 20 0 EDADLP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767229 698838793 /nfs/dbraw/zinc/83/87/93/698838793.db2.gz SPUFMTJLYOAKSC-OCCSQVGLSA-N 2 2 333.461 1.478 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000995156118 701559681 /nfs/dbraw/zinc/55/96/81/701559681.db2.gz VVPHJMOSCHVFPN-DLBZAZTESA-N 2 2 342.443 1.519 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031771626 699092366 /nfs/dbraw/zinc/09/23/66/699092366.db2.gz CPUOGGXSKVWGDN-QGZVFWFLSA-N 2 2 349.450 1.867 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031771626 699092367 /nfs/dbraw/zinc/09/23/67/699092367.db2.gz CPUOGGXSKVWGDN-QGZVFWFLSA-N 2 2 349.450 1.867 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939055322 699116376 /nfs/dbraw/zinc/11/63/76/699116376.db2.gz WZHLTMOAWJIUJI-DZGCQCFKSA-N 2 2 349.479 1.300 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001031773821 699124210 /nfs/dbraw/zinc/12/42/10/699124210.db2.gz CZEKPKHKKXMRCK-MRXNPFEDSA-N 2 2 332.448 1.123 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC001031773821 699124214 /nfs/dbraw/zinc/12/42/14/699124214.db2.gz CZEKPKHKKXMRCK-MRXNPFEDSA-N 2 2 332.448 1.123 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995159382 701572071 /nfs/dbraw/zinc/57/20/71/701572071.db2.gz ISUAJPIQGILJNB-CABCVRRESA-N 2 2 342.447 1.136 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccsc2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784484 699203139 /nfs/dbraw/zinc/20/31/39/699203139.db2.gz TUWQPBUUUHRSSR-OAHLLOKOSA-N 2 2 330.457 1.755 20 0 EDADLP O=C(NCC1C[NH+](CCc2cccs2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784599 699203835 /nfs/dbraw/zinc/20/38/35/699203835.db2.gz WCSHWAVXFNTMLG-OAHLLOKOSA-N 2 2 344.484 1.798 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000941571190 701580861 /nfs/dbraw/zinc/58/08/61/701580861.db2.gz OGOUAARGFQTMCF-IAGOWNOFSA-N 2 2 345.491 1.152 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939210814 699358430 /nfs/dbraw/zinc/35/84/30/699358430.db2.gz PWNVVBLJXXKAED-ZBEGNZNMSA-N 2 2 331.420 1.448 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806549 699429202 /nfs/dbraw/zinc/42/92/02/699429202.db2.gz GLGKAIDXZWJFNM-GOSISDBHSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031806549 699429205 /nfs/dbraw/zinc/42/92/05/699429205.db2.gz GLGKAIDXZWJFNM-GOSISDBHSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817490 699532275 /nfs/dbraw/zinc/53/22/75/699532275.db2.gz INQRIHLDZVMTSU-UHFFFAOYSA-N 2 2 336.399 1.295 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939400198 699549377 /nfs/dbraw/zinc/54/93/77/699549377.db2.gz KDTPMFSNCRKDKF-WFASDCNBSA-N 2 2 346.406 1.737 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000939407397 699561867 /nfs/dbraw/zinc/56/18/67/699561867.db2.gz CUEUTFOHTKYDRW-PBHICJAKSA-N 2 2 341.459 1.655 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000939409291 699563672 /nfs/dbraw/zinc/56/36/72/699563672.db2.gz SFZQCRAGKIBBER-HIFRSBDPSA-N 2 2 342.447 1.050 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939533710 699671853 /nfs/dbraw/zinc/67/18/53/699671853.db2.gz DRWSGCPFCUHXKM-JSGCOSHPSA-N 2 2 330.436 1.058 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC000939547550 699673037 /nfs/dbraw/zinc/67/30/37/699673037.db2.gz XPQLFFHVGDJGAB-KGLIPLIRSA-N 2 2 347.463 1.225 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1cscn1 ZINC000939549723 699675159 /nfs/dbraw/zinc/67/51/59/699675159.db2.gz CCBGXRGKXFILHY-IUODEOHRSA-N 2 2 345.472 1.854 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939534846 699675839 /nfs/dbraw/zinc/67/58/39/699675839.db2.gz NAZYHKBRVSFQFU-IAQYHMDHSA-N 2 2 345.447 1.929 20 0 EDADLP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939536574 699677648 /nfs/dbraw/zinc/67/76/48/699677648.db2.gz WWABVVHRZBQNOG-IUODEOHRSA-N 2 2 347.488 1.407 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000939542082 699682791 /nfs/dbraw/zinc/68/27/91/699682791.db2.gz RZVWEEUJVKSYQU-WFASDCNBSA-N 2 2 342.447 1.422 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1csnn1 ZINC000939550592 699699833 /nfs/dbraw/zinc/69/98/33/699699833.db2.gz MNHKYOOHIVHSLF-FZMZJTMJSA-N 2 2 346.460 1.249 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1nccs1 ZINC000939551927 699701424 /nfs/dbraw/zinc/70/14/24/699701424.db2.gz USYLREQMNNMCKP-TZMCWYRMSA-N 2 2 345.472 1.854 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)sn1 ZINC000939621510 699758224 /nfs/dbraw/zinc/75/82/24/699758224.db2.gz AOKMPBIJFAXETJ-QMTHXVAHSA-N 2 2 349.460 1.362 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)n1 ZINC000939754152 699904305 /nfs/dbraw/zinc/90/43/05/699904305.db2.gz LKEZVDVARFZCKJ-UONOGXRCSA-N 2 2 335.452 1.225 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000939745761 699911342 /nfs/dbraw/zinc/91/13/42/699911342.db2.gz DRNWHFNBWONGPR-BXUZGUMPSA-N 2 2 344.419 1.089 20 0 EDADLP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000940183181 700340176 /nfs/dbraw/zinc/34/01/76/700340176.db2.gz RQPHDVJMZPHCDR-HOTGVXAUSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCCCO2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001031967772 701653068 /nfs/dbraw/zinc/65/30/68/701653068.db2.gz DCWUCKCJDLLZMX-CABCVRRESA-N 2 2 332.448 1.447 20 0 EDADLP Cc1csc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC000940426035 700619718 /nfs/dbraw/zinc/61/97/18/700619718.db2.gz CRNAJRZNYGQURS-UHFFFAOYSA-N 2 2 347.488 1.898 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]C[C@H]2CCCCO2)CC1 ZINC000940445916 700648007 /nfs/dbraw/zinc/64/80/07/700648007.db2.gz XMOYHLYKHWGSOH-QGZVFWFLSA-N 2 2 348.491 1.893 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000182363676 700715111 /nfs/dbraw/zinc/71/51/11/700715111.db2.gz DKSGZVYNEAYALH-KGLIPLIRSA-N 2 2 335.448 1.604 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnns2)CC1(C)C ZINC000940624298 700785864 /nfs/dbraw/zinc/78/58/64/700785864.db2.gz COKAKOLAFSFVTO-UONOGXRCSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnns2)CC1(C)C ZINC000940624298 700785866 /nfs/dbraw/zinc/78/58/66/700785866.db2.gz COKAKOLAFSFVTO-UONOGXRCSA-N 2 2 337.493 1.349 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000940624298 700785867 /nfs/dbraw/zinc/78/58/67/700785867.db2.gz COKAKOLAFSFVTO-UONOGXRCSA-N 2 2 337.493 1.349 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000940624298 700785868 /nfs/dbraw/zinc/78/58/68/700785868.db2.gz COKAKOLAFSFVTO-UONOGXRCSA-N 2 2 337.493 1.349 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)co1 ZINC000940624876 700786057 /nfs/dbraw/zinc/78/60/57/700786057.db2.gz LHKFNOHSMJKUPY-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)co1 ZINC000940624876 700786059 /nfs/dbraw/zinc/78/60/59/700786059.db2.gz LHKFNOHSMJKUPY-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)co1 ZINC000940624876 700786061 /nfs/dbraw/zinc/78/60/61/700786061.db2.gz LHKFNOHSMJKUPY-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)co1 ZINC000940624876 700786063 /nfs/dbraw/zinc/78/60/63/700786063.db2.gz LHKFNOHSMJKUPY-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C/C=C/Cl)CC2(C)C)C1 ZINC000940647511 700809866 /nfs/dbraw/zinc/80/98/66/700809866.db2.gz QFGMZFDMNRZCHE-CNPQOGTOSA-N 2 2 329.872 1.286 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C/C=C/Cl)CC2(C)C)C1 ZINC000940647511 700809868 /nfs/dbraw/zinc/80/98/68/700809868.db2.gz QFGMZFDMNRZCHE-CNPQOGTOSA-N 2 2 329.872 1.286 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C/C=C/Cl)CC2(C)C)C1 ZINC000940647511 700809869 /nfs/dbraw/zinc/80/98/69/700809869.db2.gz QFGMZFDMNRZCHE-CNPQOGTOSA-N 2 2 329.872 1.286 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C/C=C/Cl)CC2(C)C)C1 ZINC000940647511 700809872 /nfs/dbraw/zinc/80/98/72/700809872.db2.gz QFGMZFDMNRZCHE-CNPQOGTOSA-N 2 2 329.872 1.286 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)CC[N@@H+]1C ZINC000940756546 700891972 /nfs/dbraw/zinc/89/19/72/700891972.db2.gz BDHNSEBOHXVZOY-YUELXQCFSA-N 2 2 335.452 1.127 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)CC[N@H+]1C ZINC000940756546 700891974 /nfs/dbraw/zinc/89/19/74/700891974.db2.gz BDHNSEBOHXVZOY-YUELXQCFSA-N 2 2 335.452 1.127 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC2(C)C)CC[NH+]1C ZINC000940756546 700891975 /nfs/dbraw/zinc/89/19/75/700891975.db2.gz BDHNSEBOHXVZOY-YUELXQCFSA-N 2 2 335.452 1.127 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)CC[NH+]1C ZINC000940756546 700891977 /nfs/dbraw/zinc/89/19/77/700891977.db2.gz BDHNSEBOHXVZOY-YUELXQCFSA-N 2 2 335.452 1.127 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)CC1(C)C ZINC000940894329 700985466 /nfs/dbraw/zinc/98/54/66/700985466.db2.gz XTXXZUMADKZTIY-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)CC1(C)C ZINC000940894329 700985468 /nfs/dbraw/zinc/98/54/68/700985468.db2.gz XTXXZUMADKZTIY-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1ncsc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995114844 701036688 /nfs/dbraw/zinc/03/66/88/701036688.db2.gz JJTYDQTVUTZKIV-QWHCGFSZSA-N 2 2 333.461 1.792 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995116983 701071156 /nfs/dbraw/zinc/07/11/56/701071156.db2.gz NZCDZAIPYQKIOM-ZIAGYGMSSA-N 2 2 343.431 1.431 20 0 EDADLP C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808742 701200599 /nfs/dbraw/zinc/20/05/99/701200599.db2.gz PYHXOACIJOOBOX-AEFFLSMTSA-N 2 2 326.444 1.952 20 0 EDADLP C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808742 701200602 /nfs/dbraw/zinc/20/06/02/701200602.db2.gz PYHXOACIJOOBOX-AEFFLSMTSA-N 2 2 326.444 1.952 20 0 EDADLP C[C@@H]1C[N@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809923 701202722 /nfs/dbraw/zinc/20/27/22/701202722.db2.gz WDMZJTICUQPUDX-NVXWUHKLSA-N 2 2 334.464 1.526 20 0 EDADLP C[C@@H]1C[N@@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809923 701202725 /nfs/dbraw/zinc/20/27/25/701202725.db2.gz WDMZJTICUQPUDX-NVXWUHKLSA-N 2 2 334.464 1.526 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945810884 701203879 /nfs/dbraw/zinc/20/38/79/701203879.db2.gz YFGXUGOJAMZCKQ-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945810884 701203880 /nfs/dbraw/zinc/20/38/80/701203880.db2.gz YFGXUGOJAMZCKQ-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941165959 701376908 /nfs/dbraw/zinc/37/69/08/701376908.db2.gz CBZJVCPYYGMSSG-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941165959 701376909 /nfs/dbraw/zinc/37/69/09/701376909.db2.gz CBZJVCPYYGMSSG-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000941186208 701390890 /nfs/dbraw/zinc/39/08/90/701390890.db2.gz FSXOWRIIXQTALQ-QGZVFWFLSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000941186208 701390892 /nfs/dbraw/zinc/39/08/92/701390892.db2.gz FSXOWRIIXQTALQ-QGZVFWFLSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2nccn2C)CC1(C)C ZINC000941221382 701412325 /nfs/dbraw/zinc/41/23/25/701412325.db2.gz SEIXXIMQSRYRST-HNNXBMFYSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2nccn2C)CC1(C)C ZINC000941221382 701412326 /nfs/dbraw/zinc/41/23/26/701412326.db2.gz SEIXXIMQSRYRST-HNNXBMFYSA-N 2 2 344.463 1.342 20 0 EDADLP CC1(C)C[N@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252803 701427573 /nfs/dbraw/zinc/42/75/73/701427573.db2.gz KQSOOQQAVOPWQZ-MRXNPFEDSA-N 2 2 345.422 1.834 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252803 701427574 /nfs/dbraw/zinc/42/75/74/701427574.db2.gz KQSOOQQAVOPWQZ-MRXNPFEDSA-N 2 2 345.422 1.834 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995151182 701544480 /nfs/dbraw/zinc/54/44/80/701544480.db2.gz HATUUSPHELEXNI-DOMZBBRYSA-N 2 2 331.395 1.561 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCN(C3C[NH+](C(C)C)C3)CC2)c[nH+]1 ZINC000941455562 701548668 /nfs/dbraw/zinc/54/86/68/701548668.db2.gz UZFXGNMVJQMQGA-UHFFFAOYSA-N 2 2 333.480 1.163 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CF)cc1 ZINC001032651885 706605592 /nfs/dbraw/zinc/60/55/92/706605592.db2.gz IDLWUGAHGRSWAR-IRXDYDNUSA-N 2 2 328.391 1.907 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CF)cc1 ZINC001032651885 706605594 /nfs/dbraw/zinc/60/55/94/706605594.db2.gz IDLWUGAHGRSWAR-IRXDYDNUSA-N 2 2 328.391 1.907 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000999177238 706619903 /nfs/dbraw/zinc/61/99/03/706619903.db2.gz XKONSZSBWLSWPF-HUUCEWRRSA-N 2 2 347.463 1.054 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)nn1C ZINC000995180725 701997327 /nfs/dbraw/zinc/99/73/27/701997327.db2.gz FVUAJMJDIXGPOW-GJZGRUSLSA-N 2 2 344.463 1.377 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001032182674 702207504 /nfs/dbraw/zinc/20/75/04/702207504.db2.gz OZWALWLGIXVICH-CQSZACIVSA-N 2 2 339.842 1.979 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001032182674 702207510 /nfs/dbraw/zinc/20/75/10/702207510.db2.gz OZWALWLGIXVICH-CQSZACIVSA-N 2 2 339.842 1.979 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]([NH2+]C[C@H]3CCOC3)C(C)(C)C2)c[nH+]1 ZINC000995954300 702318204 /nfs/dbraw/zinc/31/82/04/702318204.db2.gz XQDGOLWDZJQERW-HZPDHXFCSA-N 2 2 348.491 1.790 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944152862 702439606 /nfs/dbraw/zinc/43/96/06/702439606.db2.gz DWWQYGARIXJDRK-GDBMZVCRSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944152862 702439613 /nfs/dbraw/zinc/43/96/13/702439613.db2.gz DWWQYGARIXJDRK-GDBMZVCRSA-N 2 2 343.475 1.207 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1[NH2+]CCF ZINC000996090192 702499413 /nfs/dbraw/zinc/49/94/13/702499413.db2.gz KTOVKZSTHSUUMB-JKSUJKDBSA-N 2 2 341.471 1.283 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1[NH2+]CCF ZINC000996090192 702499417 /nfs/dbraw/zinc/49/94/17/702499417.db2.gz KTOVKZSTHSUUMB-JKSUJKDBSA-N 2 2 341.471 1.283 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942063990 702522313 /nfs/dbraw/zinc/52/23/13/702522313.db2.gz NNKZNEFWYAHGAI-HOCLYGCPSA-N 2 2 334.464 1.235 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000942063990 702522315 /nfs/dbraw/zinc/52/23/15/702522315.db2.gz NNKZNEFWYAHGAI-HOCLYGCPSA-N 2 2 334.464 1.235 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)n1 ZINC000996104713 702523277 /nfs/dbraw/zinc/52/32/77/702523277.db2.gz FRALDOSQLWYLNC-INIZCTEOSA-N 2 2 344.463 1.516 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996106620 702567351 /nfs/dbraw/zinc/56/73/51/702567351.db2.gz OICNOFNZXRCOHY-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184594 702692126 /nfs/dbraw/zinc/69/21/26/702692126.db2.gz URIMDXZAFAXPDT-GXTWGEPZSA-N 2 2 343.431 1.091 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184594 702692129 /nfs/dbraw/zinc/69/21/29/702692129.db2.gz URIMDXZAFAXPDT-GXTWGEPZSA-N 2 2 343.431 1.091 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)n1 ZINC000996300514 702692125 /nfs/dbraw/zinc/69/21/25/702692125.db2.gz NMRQUZQTYKDGEK-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)n1 ZINC000996300514 702692128 /nfs/dbraw/zinc/69/21/28/702692128.db2.gz NMRQUZQTYKDGEK-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP C[C@@H](CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1)n1cc[nH+]c1 ZINC000996363654 702724180 /nfs/dbraw/zinc/72/41/80/702724180.db2.gz KTQAIDXPYVUCQZ-JKSUJKDBSA-N 2 2 344.463 1.558 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)c1 ZINC000996355416 702733020 /nfs/dbraw/zinc/73/30/20/702733020.db2.gz MDSARUGKBOQWOM-KRWDZBQOSA-N 2 2 342.443 1.988 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@@H]([NH2+]CCO)C(C)(C)C3)[nH+]c12 ZINC000996413862 702764874 /nfs/dbraw/zinc/76/48/74/702764874.db2.gz GTVBHDAAGWDQFZ-OAHLLOKOSA-N 2 2 330.432 1.004 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942260573 702769826 /nfs/dbraw/zinc/76/98/26/702769826.db2.gz YOLYZNMOXFDRIG-DZGCQCFKSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942260573 702769828 /nfs/dbraw/zinc/76/98/28/702769828.db2.gz YOLYZNMOXFDRIG-DZGCQCFKSA-N 2 2 347.463 1.333 20 0 EDADLP CC(C)(C(=O)N1C[C@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996514422 702849997 /nfs/dbraw/zinc/84/99/97/702849997.db2.gz MFGOIQALCZMFEM-HIFRSBDPSA-N 2 2 334.464 1.550 20 0 EDADLP Cc1ccncc1C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996650351 702940421 /nfs/dbraw/zinc/94/04/21/702940421.db2.gz INEYZHARASNEOS-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1ccncc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996650351 702940422 /nfs/dbraw/zinc/94/04/22/702940422.db2.gz INEYZHARASNEOS-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP COCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001032313698 702966137 /nfs/dbraw/zinc/96/61/37/702966137.db2.gz OGBSBRXWBHCXOI-FHWLQOOXSA-N 2 2 343.471 1.712 20 0 EDADLP COCc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001032313698 702966139 /nfs/dbraw/zinc/96/61/39/702966139.db2.gz OGBSBRXWBHCXOI-FHWLQOOXSA-N 2 2 343.471 1.712 20 0 EDADLP COCc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001032313698 702966140 /nfs/dbraw/zinc/96/61/40/702966140.db2.gz OGBSBRXWBHCXOI-FHWLQOOXSA-N 2 2 343.471 1.712 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996686324 702977048 /nfs/dbraw/zinc/97/70/48/702977048.db2.gz WSDRJURUNLEHEC-IAGOWNOFSA-N 2 2 346.475 1.911 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996686324 702977049 /nfs/dbraw/zinc/97/70/49/702977049.db2.gz WSDRJURUNLEHEC-IAGOWNOFSA-N 2 2 346.475 1.911 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996715638 703010647 /nfs/dbraw/zinc/01/06/47/703010647.db2.gz OUWIKEWMEKYEDU-INIZCTEOSA-N 2 2 345.447 1.769 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@H]1C ZINC000942517798 703011532 /nfs/dbraw/zinc/01/15/32/703011532.db2.gz GQWAWUFJTWTFES-UKRRQHHQSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)C[C@H]1C ZINC000942517798 703011535 /nfs/dbraw/zinc/01/15/35/703011535.db2.gz GQWAWUFJTWTFES-UKRRQHHQSA-N 2 2 328.420 1.008 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996716327 703015055 /nfs/dbraw/zinc/01/50/55/703015055.db2.gz MDELJLRZSMKYMV-UHFFFAOYSA-N 2 2 340.427 1.809 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000996739173 703024897 /nfs/dbraw/zinc/02/48/97/703024897.db2.gz PKDKFGXLNLCFKQ-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996730806 703027531 /nfs/dbraw/zinc/02/75/31/703027531.db2.gz KEHDKNLJKQWSPO-LSDHHAIUSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)on1 ZINC000996731819 703028790 /nfs/dbraw/zinc/02/87/90/703028790.db2.gz MIRBIHDVYKKHKA-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556137 703070549 /nfs/dbraw/zinc/07/05/49/703070549.db2.gz VZJJFABXGKOCDG-UKRRQHHQSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556137 703070552 /nfs/dbraw/zinc/07/05/52/703070552.db2.gz VZJJFABXGKOCDG-UKRRQHHQSA-N 2 2 335.452 1.271 20 0 EDADLP CC(C)N1CC[NH+](C2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC000996795043 703079518 /nfs/dbraw/zinc/07/95/18/703079518.db2.gz IAZVOAJXIMRWNJ-UHFFFAOYSA-N 2 2 347.507 1.416 20 0 EDADLP Cc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001032331691 703112167 /nfs/dbraw/zinc/11/21/67/703112167.db2.gz HIMOYEUQOTZMNA-FHWLQOOXSA-N 2 2 343.471 1.153 20 0 EDADLP Cc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001032331691 703112168 /nfs/dbraw/zinc/11/21/68/703112168.db2.gz HIMOYEUQOTZMNA-FHWLQOOXSA-N 2 2 343.471 1.153 20 0 EDADLP Cc1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)cc1 ZINC001032331691 703112170 /nfs/dbraw/zinc/11/21/70/703112170.db2.gz HIMOYEUQOTZMNA-FHWLQOOXSA-N 2 2 343.471 1.153 20 0 EDADLP Cc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)cc1 ZINC001032331691 703112172 /nfs/dbraw/zinc/11/21/72/703112172.db2.gz HIMOYEUQOTZMNA-FHWLQOOXSA-N 2 2 343.471 1.153 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942598180 703113186 /nfs/dbraw/zinc/11/31/86/703113186.db2.gz SMYCCZIWXLLVHJ-WFASDCNBSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942598180 703113189 /nfs/dbraw/zinc/11/31/89/703113189.db2.gz SMYCCZIWXLLVHJ-WFASDCNBSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)no1 ZINC000997016601 703275237 /nfs/dbraw/zinc/27/52/37/703275237.db2.gz NEKIFNUSFYRVDW-HZPDHXFCSA-N 2 2 343.431 1.601 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1)n1cc[nH+]c1 ZINC000997045248 703293985 /nfs/dbraw/zinc/29/39/85/703293985.db2.gz KDHJJEPLCKIRCB-CQSZACIVSA-N 2 2 330.436 1.349 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]CC[C@H]2CCCO2)CC1)n1cc[nH+]c1 ZINC000997045892 703294821 /nfs/dbraw/zinc/29/48/21/703294821.db2.gz OENPMXWYIQIFNA-NVXWUHKLSA-N 2 2 334.464 1.984 20 0 EDADLP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000997047102 703296170 /nfs/dbraw/zinc/29/61/70/703296170.db2.gz WLZBPOXMVATJFZ-OAHLLOKOSA-N 2 2 344.463 1.831 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)o1 ZINC000997047741 703296364 /nfs/dbraw/zinc/29/63/64/703296364.db2.gz BNVXUQCKNFHALH-STQMWFEESA-N 2 2 346.435 1.867 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000997087668 703325991 /nfs/dbraw/zinc/32/59/91/703325991.db2.gz YVIUZOQPSVFOPQ-WMLDXEAASA-N 2 2 334.464 1.738 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000997087668 703325993 /nfs/dbraw/zinc/32/59/93/703325993.db2.gz YVIUZOQPSVFOPQ-WMLDXEAASA-N 2 2 334.464 1.738 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000997128894 703387565 /nfs/dbraw/zinc/38/75/65/703387565.db2.gz WHKOPFXHFVKJTC-INIZCTEOSA-N 2 2 346.406 1.406 20 0 EDADLP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060800731 703408228 /nfs/dbraw/zinc/40/82/28/703408228.db2.gz AWNKNWWEIYZMOU-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001032407099 703432327 /nfs/dbraw/zinc/43/23/27/703432327.db2.gz BYJOGPCPXVHBGI-FHWLQOOXSA-N 2 2 340.471 1.517 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001032407099 703432329 /nfs/dbraw/zinc/43/23/29/703432329.db2.gz BYJOGPCPXVHBGI-FHWLQOOXSA-N 2 2 340.471 1.517 20 0 EDADLP Cc1cncc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC000997179311 703463488 /nfs/dbraw/zinc/46/34/88/703463488.db2.gz IIANQYRUUSJQEE-UHFFFAOYSA-N 2 2 327.432 1.447 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1)c1csnn1 ZINC000997178176 703464589 /nfs/dbraw/zinc/46/45/89/703464589.db2.gz CVNXDDKPHFZYFF-NSHDSACASA-N 2 2 334.449 1.156 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000997182269 703467307 /nfs/dbraw/zinc/46/73/07/703467307.db2.gz VXNYXRRDCHVIHG-RHSMWYFYSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000997182269 703467310 /nfs/dbraw/zinc/46/73/10/703467310.db2.gz VXNYXRRDCHVIHG-RHSMWYFYSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1)c1cnccn1 ZINC000997182356 703467545 /nfs/dbraw/zinc/46/75/45/703467545.db2.gz JQOVJFIZNYIIJD-CYBMUJFWSA-N 2 2 342.447 1.819 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997183479 703468811 /nfs/dbraw/zinc/46/88/11/703468811.db2.gz PRSUCNVGBPFMNA-UHFFFAOYSA-N 2 2 331.420 1.765 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997180813 703471246 /nfs/dbraw/zinc/47/12/46/703471246.db2.gz NUVWJXATAIHJNT-CJNGLKHVSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997180813 703471247 /nfs/dbraw/zinc/47/12/47/703471247.db2.gz NUVWJXATAIHJNT-CJNGLKHVSA-N 2 2 335.452 1.271 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000997223300 703500743 /nfs/dbraw/zinc/50/07/43/703500743.db2.gz ZDXHTRPTSAXIHV-UKRRQHHQSA-N 2 2 334.464 1.656 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032433825 703612301 /nfs/dbraw/zinc/61/23/01/703612301.db2.gz SQGRHQXPSKTATP-ZOBUZTSGSA-N 2 2 331.464 1.080 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032433825 703612303 /nfs/dbraw/zinc/61/23/03/703612303.db2.gz SQGRHQXPSKTATP-ZOBUZTSGSA-N 2 2 331.464 1.080 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997416188 703668951 /nfs/dbraw/zinc/66/89/51/703668951.db2.gz IGNNXQFGLVVJHJ-UHFFFAOYSA-N 2 2 329.404 1.529 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000997417655 703669377 /nfs/dbraw/zinc/66/93/77/703669377.db2.gz QOGFOEUXFHWACB-CYBMUJFWSA-N 2 2 326.391 1.899 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032486873 703745940 /nfs/dbraw/zinc/74/59/40/703745940.db2.gz YCLFWZQKZSSSCW-ULQDDVLXSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032486873 703745941 /nfs/dbraw/zinc/74/59/41/703745941.db2.gz YCLFWZQKZSSSCW-ULQDDVLXSA-N 2 2 328.460 1.921 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)[nH]1 ZINC000995549820 703933490 /nfs/dbraw/zinc/93/34/90/703933490.db2.gz FSERHZUZTOAOBG-UONOGXRCSA-N 2 2 348.495 1.349 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)[nH]1 ZINC000995549820 703933494 /nfs/dbraw/zinc/93/34/94/703933494.db2.gz FSERHZUZTOAOBG-UONOGXRCSA-N 2 2 348.495 1.349 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001004205897 703962500 /nfs/dbraw/zinc/96/25/00/703962500.db2.gz GGXVBZYLNLECBW-HUUCEWRRSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1 ZINC001032522208 703968710 /nfs/dbraw/zinc/96/87/10/703968710.db2.gz UFCNKCOZVLBEMA-OKZBNKHCSA-N 2 2 340.427 1.210 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1 ZINC001032522208 703968712 /nfs/dbraw/zinc/96/87/12/703968712.db2.gz UFCNKCOZVLBEMA-OKZBNKHCSA-N 2 2 340.427 1.210 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033081684 704136982 /nfs/dbraw/zinc/13/69/82/704136982.db2.gz NKTWBHHTOCYKQD-WBVHZDCISA-N 2 2 346.475 1.612 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033081684 704136984 /nfs/dbraw/zinc/13/69/84/704136984.db2.gz NKTWBHHTOCYKQD-WBVHZDCISA-N 2 2 346.475 1.612 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033080214 704145644 /nfs/dbraw/zinc/14/56/44/704145644.db2.gz FPABKHNXHVRYPN-JKSUJKDBSA-N 2 2 332.448 1.358 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033080214 704145645 /nfs/dbraw/zinc/14/56/45/704145645.db2.gz FPABKHNXHVRYPN-JKSUJKDBSA-N 2 2 332.448 1.358 20 0 EDADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001032540699 704600887 /nfs/dbraw/zinc/60/08/87/704600887.db2.gz NHMNIESHDUHCHN-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001032540699 704600888 /nfs/dbraw/zinc/60/08/88/704600888.db2.gz NHMNIESHDUHCHN-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001032540699 704600889 /nfs/dbraw/zinc/60/08/89/704600889.db2.gz NHMNIESHDUHCHN-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001032540699 704600890 /nfs/dbraw/zinc/60/08/90/704600890.db2.gz NHMNIESHDUHCHN-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963892 704830967 /nfs/dbraw/zinc/83/09/67/704830967.db2.gz DZSLLXYALHVZQX-IUODEOHRSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963892 704830975 /nfs/dbraw/zinc/83/09/75/704830975.db2.gz DZSLLXYALHVZQX-IUODEOHRSA-N 2 2 331.420 1.515 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000997973992 705116962 /nfs/dbraw/zinc/11/69/62/705116962.db2.gz DMAGHDPAKNMQIM-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000997973992 705116965 /nfs/dbraw/zinc/11/69/65/705116965.db2.gz DMAGHDPAKNMQIM-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000997973992 705116969 /nfs/dbraw/zinc/11/69/69/705116969.db2.gz DMAGHDPAKNMQIM-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC000997973992 705116974 /nfs/dbraw/zinc/11/69/74/705116974.db2.gz DMAGHDPAKNMQIM-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCn1ccc(C[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC000998244294 705590490 /nfs/dbraw/zinc/59/04/90/705590490.db2.gz KMAAMNMAXRCKTJ-UHFFFAOYSA-N 2 2 344.463 1.505 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000998256402 705617579 /nfs/dbraw/zinc/61/75/79/705617579.db2.gz XCJNZVOTNMMDCK-UHFFFAOYSA-N 2 2 347.488 1.838 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC000998262716 705628273 /nfs/dbraw/zinc/62/82/73/705628273.db2.gz RCYOYEJNNNWAQK-WDEREUQCSA-N 2 2 336.333 1.681 20 0 EDADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000998284508 705679187 /nfs/dbraw/zinc/67/91/87/705679187.db2.gz QJCWUALKCINJHV-SFHVURJKSA-N 2 2 335.492 1.335 20 0 EDADLP CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000998297871 705701291 /nfs/dbraw/zinc/70/12/91/705701291.db2.gz PCCIPFQOCBEGTQ-UHFFFAOYSA-N 2 2 345.447 1.770 20 0 EDADLP CC(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC000998310622 705716844 /nfs/dbraw/zinc/71/68/44/705716844.db2.gz GZKIVLDZKLCDJX-VXGBXAGGSA-N 2 2 332.370 1.977 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccn2)C1 ZINC001032626081 705722920 /nfs/dbraw/zinc/72/29/20/705722920.db2.gz XHBOIUJJQGGZOK-IRXDYDNUSA-N 2 2 328.460 1.599 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccn2)C1 ZINC001032626081 705722922 /nfs/dbraw/zinc/72/29/22/705722922.db2.gz XHBOIUJJQGGZOK-IRXDYDNUSA-N 2 2 328.460 1.599 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccn2)C1 ZINC001032626081 705722924 /nfs/dbraw/zinc/72/29/24/705722924.db2.gz XHBOIUJJQGGZOK-IRXDYDNUSA-N 2 2 328.460 1.599 20 0 EDADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@@H](C)C2)s1 ZINC001032627754 705737896 /nfs/dbraw/zinc/73/78/96/705737896.db2.gz HWBCBMZKNJEFNB-KCXAZCMYSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@@H](C)C2)s1 ZINC001032627754 705737899 /nfs/dbraw/zinc/73/78/99/705737899.db2.gz HWBCBMZKNJEFNB-KCXAZCMYSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@@H](C)C2)s1 ZINC001032627754 705737902 /nfs/dbraw/zinc/73/79/02/705737902.db2.gz HWBCBMZKNJEFNB-KCXAZCMYSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@@H](C)C2)s1 ZINC001032627754 705737904 /nfs/dbraw/zinc/73/79/04/705737904.db2.gz HWBCBMZKNJEFNB-KCXAZCMYSA-N 2 2 348.516 1.887 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032636329 705991276 /nfs/dbraw/zinc/99/12/76/705991276.db2.gz DAFUEFMDHVFNQV-MWDXBVQZSA-N 2 2 344.459 1.235 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032636329 705991279 /nfs/dbraw/zinc/99/12/79/705991279.db2.gz DAFUEFMDHVFNQV-MWDXBVQZSA-N 2 2 344.459 1.235 20 0 EDADLP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000998992981 706425161 /nfs/dbraw/zinc/42/51/61/706425161.db2.gz DEVVNLFVNYZJTA-RUXDESIVSA-N 2 2 335.452 1.195 20 0 EDADLP CCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000998992981 706425164 /nfs/dbraw/zinc/42/51/64/706425164.db2.gz DEVVNLFVNYZJTA-RUXDESIVSA-N 2 2 335.452 1.195 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)c1cnccn1 ZINC000999042747 706483563 /nfs/dbraw/zinc/48/35/63/706483563.db2.gz GCQWORUFUFFTHH-KBPBESRZSA-N 2 2 328.420 1.474 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999318346 706826533 /nfs/dbraw/zinc/82/65/33/706826533.db2.gz ROPPMGIFNCXRKM-MRXNPFEDSA-N 2 2 330.436 1.165 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000999373792 706868420 /nfs/dbraw/zinc/86/84/20/706868420.db2.gz RGPBJSBZFDZWQR-UKRRQHHQSA-N 2 2 345.472 1.998 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)no1 ZINC000999402520 706910592 /nfs/dbraw/zinc/91/05/92/706910592.db2.gz GILJTQBJQRCZJK-HSBZDZAISA-N 2 2 335.452 1.053 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)c[nH+]1 ZINC000999466150 706974229 /nfs/dbraw/zinc/97/42/29/706974229.db2.gz MHUKEMYULOYOQF-DLBZAZTESA-N 2 2 348.491 1.934 20 0 EDADLP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000999469336 706978654 /nfs/dbraw/zinc/97/86/54/706978654.db2.gz KOTJKFLQCRPFPR-UHFFFAOYSA-N 2 2 328.416 1.740 20 0 EDADLP COc1nscc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999471459 706980408 /nfs/dbraw/zinc/98/04/08/706980408.db2.gz FQQWEJGTBKFUJR-UHFFFAOYSA-N 2 2 335.433 1.197 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cscn3)C2)no1 ZINC000999554690 707052996 /nfs/dbraw/zinc/05/29/96/707052996.db2.gz BRHGICRJUCPHAR-GFCCVEGCSA-N 2 2 349.460 1.587 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000999775578 707335186 /nfs/dbraw/zinc/33/51/86/707335186.db2.gz LTEPKDUKBNUTIW-HZPDHXFCSA-N 2 2 334.464 1.502 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181322 707341644 /nfs/dbraw/zinc/34/16/44/707341644.db2.gz HYCAKYXHRUAKJB-MRXNPFEDSA-N 2 2 346.475 1.892 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181322 707341646 /nfs/dbraw/zinc/34/16/46/707341646.db2.gz HYCAKYXHRUAKJB-MRXNPFEDSA-N 2 2 346.475 1.892 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999838463 707410192 /nfs/dbraw/zinc/41/01/92/707410192.db2.gz WMGMUMFAHITEHQ-INIZCTEOSA-N 2 2 331.395 1.588 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033364401 707656904 /nfs/dbraw/zinc/65/69/04/707656904.db2.gz FFAXZXLMDHRYHE-IAGOWNOFSA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033364401 707656905 /nfs/dbraw/zinc/65/69/05/707656905.db2.gz FFAXZXLMDHRYHE-IAGOWNOFSA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](CCCF)C1 ZINC001033364401 707656907 /nfs/dbraw/zinc/65/69/07/707656907.db2.gz FFAXZXLMDHRYHE-IAGOWNOFSA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](CCCF)C1 ZINC001033364401 707656908 /nfs/dbraw/zinc/65/69/08/707656908.db2.gz FFAXZXLMDHRYHE-IAGOWNOFSA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033211089 707672084 /nfs/dbraw/zinc/67/20/84/707672084.db2.gz HQPKONVQHDACBU-SJLPKXTDSA-N 2 2 339.443 1.573 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033211089 707672086 /nfs/dbraw/zinc/67/20/86/707672086.db2.gz HQPKONVQHDACBU-SJLPKXTDSA-N 2 2 339.443 1.573 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](C/C=C/Cl)C2)C1 ZINC001033359304 707685689 /nfs/dbraw/zinc/68/56/89/707685689.db2.gz WOMFSNSACKHUNZ-WBNAFJIESA-N 2 2 329.872 1.381 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](C/C=C/Cl)C2)C1 ZINC001033359304 707685691 /nfs/dbraw/zinc/68/56/91/707685691.db2.gz WOMFSNSACKHUNZ-WBNAFJIESA-N 2 2 329.872 1.381 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C/C=C/Cl)C2)C1 ZINC001033359304 707685692 /nfs/dbraw/zinc/68/56/92/707685692.db2.gz WOMFSNSACKHUNZ-WBNAFJIESA-N 2 2 329.872 1.381 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C/C=C/Cl)C2)C1 ZINC001033359304 707685694 /nfs/dbraw/zinc/68/56/94/707685694.db2.gz WOMFSNSACKHUNZ-WBNAFJIESA-N 2 2 329.872 1.381 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733616 707741361 /nfs/dbraw/zinc/74/13/61/707741361.db2.gz CUGHMFKKKLSDBB-GJZGRUSLSA-N 2 2 344.459 1.426 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733616 707741364 /nfs/dbraw/zinc/74/13/64/707741364.db2.gz CUGHMFKKKLSDBB-GJZGRUSLSA-N 2 2 344.459 1.426 20 0 EDADLP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1)OC ZINC001033220252 707781884 /nfs/dbraw/zinc/78/18/84/707781884.db2.gz MGZMLJYUYXCOBF-KBPBESRZSA-N 2 2 338.452 1.308 20 0 EDADLP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1)OC ZINC001033220252 707781888 /nfs/dbraw/zinc/78/18/88/707781888.db2.gz MGZMLJYUYXCOBF-KBPBESRZSA-N 2 2 338.452 1.308 20 0 EDADLP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004962441 707785606 /nfs/dbraw/zinc/78/56/06/707785606.db2.gz CVYDSJGJPJYDNK-HIFRSBDPSA-N 2 2 330.436 1.245 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1C ZINC001033416193 707794183 /nfs/dbraw/zinc/79/41/83/707794183.db2.gz OQDXKWHSWVORNZ-PBHICJAKSA-N 2 2 333.480 1.246 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1C ZINC001033416193 707794185 /nfs/dbraw/zinc/79/41/85/707794185.db2.gz OQDXKWHSWVORNZ-PBHICJAKSA-N 2 2 333.480 1.246 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)nn1C ZINC001033416193 707794188 /nfs/dbraw/zinc/79/41/88/707794188.db2.gz OQDXKWHSWVORNZ-PBHICJAKSA-N 2 2 333.480 1.246 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)nn1C ZINC001033416193 707794189 /nfs/dbraw/zinc/79/41/89/707794189.db2.gz OQDXKWHSWVORNZ-PBHICJAKSA-N 2 2 333.480 1.246 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001033417012 707798580 /nfs/dbraw/zinc/79/85/80/707798580.db2.gz TZOFQWIHGAYIIN-GOEBONIOSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001033417012 707798584 /nfs/dbraw/zinc/79/85/84/707798584.db2.gz TZOFQWIHGAYIIN-GOEBONIOSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001033417012 707798589 /nfs/dbraw/zinc/79/85/89/707798589.db2.gz TZOFQWIHGAYIIN-GOEBONIOSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001033417012 707798594 /nfs/dbraw/zinc/79/85/94/707798594.db2.gz TZOFQWIHGAYIIN-GOEBONIOSA-N 2 2 347.463 1.002 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)on1 ZINC001033423333 707838717 /nfs/dbraw/zinc/83/87/17/707838717.db2.gz MUYBFEBHLCPKSR-KGLIPLIRSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)on1 ZINC001033423333 707838720 /nfs/dbraw/zinc/83/87/20/707838720.db2.gz MUYBFEBHLCPKSR-KGLIPLIRSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)on1 ZINC001033423333 707838722 /nfs/dbraw/zinc/83/87/22/707838722.db2.gz MUYBFEBHLCPKSR-KGLIPLIRSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)on1 ZINC001033423333 707838725 /nfs/dbraw/zinc/83/87/25/707838725.db2.gz MUYBFEBHLCPKSR-KGLIPLIRSA-N 2 2 336.436 1.200 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ncccn1 ZINC001004992674 707873124 /nfs/dbraw/zinc/87/31/24/707873124.db2.gz OCVHXUSHBJEOHU-GDBMZVCRSA-N 2 2 342.447 1.541 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033230125 707889667 /nfs/dbraw/zinc/88/96/67/707889667.db2.gz ZMJHMRKWTKRFKT-KRWDZBQOSA-N 2 2 346.450 1.882 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033230125 707889673 /nfs/dbraw/zinc/88/96/73/707889673.db2.gz ZMJHMRKWTKRFKT-KRWDZBQOSA-N 2 2 346.450 1.882 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033457545 707906752 /nfs/dbraw/zinc/90/67/52/707906752.db2.gz KFIHWZDVTTXIOD-MRXNPFEDSA-N 2 2 328.416 1.564 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033457545 707906758 /nfs/dbraw/zinc/90/67/58/707906758.db2.gz KFIHWZDVTTXIOD-MRXNPFEDSA-N 2 2 328.416 1.564 20 0 EDADLP C[C@@H]([NH2+]CC1CCOCC1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005007329 707915053 /nfs/dbraw/zinc/91/50/53/707915053.db2.gz COVJBQOUURPAAJ-NVXWUHKLSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)s1 ZINC001032783885 707981462 /nfs/dbraw/zinc/98/14/62/707981462.db2.gz XCOCCVKCYFQDPH-GJZGRUSLSA-N 2 2 334.489 1.641 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)s1 ZINC001032783885 707981464 /nfs/dbraw/zinc/98/14/64/707981464.db2.gz XCOCCVKCYFQDPH-GJZGRUSLSA-N 2 2 334.489 1.641 20 0 EDADLP COCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001000325094 707983004 /nfs/dbraw/zinc/98/30/04/707983004.db2.gz QURDZLKSOIUYFT-QGZVFWFLSA-N 2 2 342.443 1.879 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001032815081 708152251 /nfs/dbraw/zinc/15/22/51/708152251.db2.gz YTWIWWKOEZLOIS-ULQDDVLXSA-N 2 2 332.448 1.373 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001032815081 708152253 /nfs/dbraw/zinc/15/22/53/708152253.db2.gz YTWIWWKOEZLOIS-ULQDDVLXSA-N 2 2 332.448 1.373 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033586793 708277736 /nfs/dbraw/zinc/27/77/36/708277736.db2.gz YRSSNFBBFPQHQF-MRXNPFEDSA-N 2 2 339.443 1.889 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033586793 708277742 /nfs/dbraw/zinc/27/77/42/708277742.db2.gz YRSSNFBBFPQHQF-MRXNPFEDSA-N 2 2 339.443 1.889 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033585602 708313250 /nfs/dbraw/zinc/31/32/50/708313250.db2.gz KQBLLBYYXAPIPI-ZDUSSCGKSA-N 2 2 345.472 1.951 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033585602 708313254 /nfs/dbraw/zinc/31/32/54/708313254.db2.gz KQBLLBYYXAPIPI-ZDUSSCGKSA-N 2 2 345.472 1.951 20 0 EDADLP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001823440 708325276 /nfs/dbraw/zinc/32/52/76/708325276.db2.gz WKLOKVQGKOQRLW-DZGCQCFKSA-N 2 2 334.464 1.693 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001823442 708325346 /nfs/dbraw/zinc/32/53/46/708325346.db2.gz WKLOKVQGKOQRLW-UKRRQHHQSA-N 2 2 334.464 1.693 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001001843067 708347785 /nfs/dbraw/zinc/34/77/85/708347785.db2.gz YSURIIIVVPSAMX-BRWVUGGUSA-N 2 2 346.475 1.388 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033665064 708447495 /nfs/dbraw/zinc/44/74/95/708447495.db2.gz KZYHTAXMEUALIZ-INIZCTEOSA-N 2 2 331.395 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033665064 708447499 /nfs/dbraw/zinc/44/74/99/708447499.db2.gz KZYHTAXMEUALIZ-INIZCTEOSA-N 2 2 331.395 1.459 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033665760 708448727 /nfs/dbraw/zinc/44/87/27/708448727.db2.gz QULAPRQIWBBTBY-GJZGRUSLSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033665760 708448729 /nfs/dbraw/zinc/44/87/29/708448729.db2.gz QULAPRQIWBBTBY-GJZGRUSLSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001033665760 708448732 /nfs/dbraw/zinc/44/87/32/708448732.db2.gz QULAPRQIWBBTBY-GJZGRUSLSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001033665760 708448735 /nfs/dbraw/zinc/44/87/35/708448735.db2.gz QULAPRQIWBBTBY-GJZGRUSLSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033703857 708532843 /nfs/dbraw/zinc/53/28/43/708532843.db2.gz JIKVLOMDQGPXNK-KRWDZBQOSA-N 2 2 328.416 1.108 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033703857 708532846 /nfs/dbraw/zinc/53/28/46/708532846.db2.gz JIKVLOMDQGPXNK-KRWDZBQOSA-N 2 2 328.416 1.108 20 0 EDADLP O=C(NCC1CC[NH+](CCF)CC1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001002044163 708534991 /nfs/dbraw/zinc/53/49/91/708534991.db2.gz ZYXSYNCARNVWFK-UHFFFAOYSA-N 2 2 331.395 1.679 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cccnc2OC)C1 ZINC001033772589 708670286 /nfs/dbraw/zinc/67/02/86/708670286.db2.gz AHDKYSPQTMDUCK-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC001033772589 708670288 /nfs/dbraw/zinc/67/02/88/708670288.db2.gz AHDKYSPQTMDUCK-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001033772589 708670289 /nfs/dbraw/zinc/67/02/89/708670289.db2.gz AHDKYSPQTMDUCK-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001033772589 708670291 /nfs/dbraw/zinc/67/02/91/708670291.db2.gz AHDKYSPQTMDUCK-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001033788396 708698561 /nfs/dbraw/zinc/69/85/61/708698561.db2.gz GLWMFVATYUGPLD-ROUUACIJSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001033788396 708698562 /nfs/dbraw/zinc/69/85/62/708698562.db2.gz GLWMFVATYUGPLD-ROUUACIJSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001033788396 708698563 /nfs/dbraw/zinc/69/85/63/708698563.db2.gz GLWMFVATYUGPLD-ROUUACIJSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001033788396 708698564 /nfs/dbraw/zinc/69/85/64/708698564.db2.gz GLWMFVATYUGPLD-ROUUACIJSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001033789607 708700338 /nfs/dbraw/zinc/70/03/38/708700338.db2.gz OKIBHXZSSGDWLV-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001033789607 708700341 /nfs/dbraw/zinc/70/03/41/708700341.db2.gz OKIBHXZSSGDWLV-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033789607 708700343 /nfs/dbraw/zinc/70/03/43/708700343.db2.gz OKIBHXZSSGDWLV-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033789607 708700345 /nfs/dbraw/zinc/70/03/45/708700345.db2.gz OKIBHXZSSGDWLV-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033790797 708715750 /nfs/dbraw/zinc/71/57/50/708715750.db2.gz YSTDMWOGUDAOFJ-QWHCGFSZSA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCC(F)(F)F)C1 ZINC001033790797 708715751 /nfs/dbraw/zinc/71/57/51/708715751.db2.gz YSTDMWOGUDAOFJ-QWHCGFSZSA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033790797 708715748 /nfs/dbraw/zinc/71/57/48/708715748.db2.gz YSTDMWOGUDAOFJ-QWHCGFSZSA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCC(F)(F)F)C1 ZINC001033790797 708715753 /nfs/dbraw/zinc/71/57/53/708715753.db2.gz YSTDMWOGUDAOFJ-QWHCGFSZSA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033834878 708862035 /nfs/dbraw/zinc/86/20/35/708862035.db2.gz YUCLGUWCMOQTLS-MRXNPFEDSA-N 2 2 330.432 1.826 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033834878 708862036 /nfs/dbraw/zinc/86/20/36/708862036.db2.gz YUCLGUWCMOQTLS-MRXNPFEDSA-N 2 2 330.432 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033827501 708877339 /nfs/dbraw/zinc/87/73/39/708877339.db2.gz FMFHISPSFNANAB-NVXWUHKLSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033827501 708877343 /nfs/dbraw/zinc/87/73/43/708877343.db2.gz FMFHISPSFNANAB-NVXWUHKLSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033827501 708877347 /nfs/dbraw/zinc/87/73/47/708877347.db2.gz FMFHISPSFNANAB-NVXWUHKLSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033827501 708877350 /nfs/dbraw/zinc/87/73/50/708877350.db2.gz FMFHISPSFNANAB-NVXWUHKLSA-N 2 2 348.495 1.111 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2ccon2)CC1 ZINC001005399438 708886283 /nfs/dbraw/zinc/88/62/83/708886283.db2.gz SADXGGTXTFYCJN-QGZVFWFLSA-N 2 2 332.448 1.439 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001005411432 708926465 /nfs/dbraw/zinc/92/64/65/708926465.db2.gz AZMUOGSKEASIDL-RHSMWYFYSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)no1 ZINC001005411432 708926466 /nfs/dbraw/zinc/92/64/66/708926466.db2.gz AZMUOGSKEASIDL-RHSMWYFYSA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ncccn3)CC2)CC[N@@H+]1C ZINC001005416612 708947693 /nfs/dbraw/zinc/94/76/93/708947693.db2.gz UVDKBQXKGBKFPE-DLBZAZTESA-N 2 2 345.491 1.630 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ncccn3)CC2)CC[N@H+]1C ZINC001005416612 708947694 /nfs/dbraw/zinc/94/76/94/708947694.db2.gz UVDKBQXKGBKFPE-DLBZAZTESA-N 2 2 345.491 1.630 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033927450 709058317 /nfs/dbraw/zinc/05/83/17/709058317.db2.gz MCFFUVGPROAJDO-ROUUACIJSA-N 2 2 347.507 1.636 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033927450 709058320 /nfs/dbraw/zinc/05/83/20/709058320.db2.gz MCFFUVGPROAJDO-ROUUACIJSA-N 2 2 347.507 1.636 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033927450 709058323 /nfs/dbraw/zinc/05/83/23/709058323.db2.gz MCFFUVGPROAJDO-ROUUACIJSA-N 2 2 347.507 1.636 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033927450 709058326 /nfs/dbraw/zinc/05/83/26/709058326.db2.gz MCFFUVGPROAJDO-ROUUACIJSA-N 2 2 347.507 1.636 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034015800 709232295 /nfs/dbraw/zinc/23/22/95/709232295.db2.gz PFWCGLWBNZJIKG-GOEBONIOSA-N 2 2 343.431 1.185 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034015800 709232298 /nfs/dbraw/zinc/23/22/98/709232298.db2.gz PFWCGLWBNZJIKG-GOEBONIOSA-N 2 2 343.431 1.185 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001034017343 709234773 /nfs/dbraw/zinc/23/47/73/709234773.db2.gz QZRZWRNYTHBTDE-INIZCTEOSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001034017343 709234775 /nfs/dbraw/zinc/23/47/75/709234775.db2.gz QZRZWRNYTHBTDE-INIZCTEOSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034042849 709293501 /nfs/dbraw/zinc/29/35/01/709293501.db2.gz QQSDFEGJDCUDPY-HOTGVXAUSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034042849 709293504 /nfs/dbraw/zinc/29/35/04/709293504.db2.gz QQSDFEGJDCUDPY-HOTGVXAUSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001034042849 709293507 /nfs/dbraw/zinc/29/35/07/709293507.db2.gz QQSDFEGJDCUDPY-HOTGVXAUSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001034042849 709293508 /nfs/dbraw/zinc/29/35/08/709293508.db2.gz QQSDFEGJDCUDPY-HOTGVXAUSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001034042878 709293530 /nfs/dbraw/zinc/29/35/30/709293530.db2.gz RLXYJBDIVBWYCR-HZPDHXFCSA-N 2 2 331.464 1.160 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001034042878 709293533 /nfs/dbraw/zinc/29/35/33/709293533.db2.gz RLXYJBDIVBWYCR-HZPDHXFCSA-N 2 2 331.464 1.160 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nccc(C)n2)C1 ZINC001034042878 709293536 /nfs/dbraw/zinc/29/35/36/709293536.db2.gz RLXYJBDIVBWYCR-HZPDHXFCSA-N 2 2 331.464 1.160 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nccc(C)n2)C1 ZINC001034042878 709293540 /nfs/dbraw/zinc/29/35/40/709293540.db2.gz RLXYJBDIVBWYCR-HZPDHXFCSA-N 2 2 331.464 1.160 20 0 EDADLP COc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034138490 709387972 /nfs/dbraw/zinc/38/79/72/709387972.db2.gz PHEPXPHKXUHPST-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034138490 709387975 /nfs/dbraw/zinc/38/79/75/709387975.db2.gz PHEPXPHKXUHPST-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034138490 709387978 /nfs/dbraw/zinc/38/79/78/709387978.db2.gz PHEPXPHKXUHPST-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034138490 709387981 /nfs/dbraw/zinc/38/79/81/709387981.db2.gz PHEPXPHKXUHPST-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC001032829867 709456126 /nfs/dbraw/zinc/45/61/26/709456126.db2.gz VNQLMCNLFKUPLZ-JCGIZDLHSA-N 2 2 349.450 1.534 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC001032829867 709456127 /nfs/dbraw/zinc/45/61/27/709456127.db2.gz VNQLMCNLFKUPLZ-JCGIZDLHSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001032829867 709456129 /nfs/dbraw/zinc/45/61/29/709456129.db2.gz VNQLMCNLFKUPLZ-JCGIZDLHSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001032829867 709456130 /nfs/dbraw/zinc/45/61/30/709456130.db2.gz VNQLMCNLFKUPLZ-JCGIZDLHSA-N 2 2 349.450 1.534 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](Cc2nccs2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034208135 709556492 /nfs/dbraw/zinc/55/64/92/709556492.db2.gz QVTRXRQWYKYISS-HOTGVXAUSA-N 2 2 348.516 1.956 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](Cc2nccs2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034208135 709556496 /nfs/dbraw/zinc/55/64/96/709556496.db2.gz QVTRXRQWYKYISS-HOTGVXAUSA-N 2 2 348.516 1.956 20 0 EDADLP C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210750 709561174 /nfs/dbraw/zinc/56/11/74/709561174.db2.gz JKBKTTJDHUGSMW-CABCVRRESA-N 2 2 338.496 1.095 20 0 EDADLP C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210750 709561177 /nfs/dbraw/zinc/56/11/77/709561177.db2.gz JKBKTTJDHUGSMW-CABCVRRESA-N 2 2 338.496 1.095 20 0 EDADLP Cn1cncc1C[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001003016063 709803488 /nfs/dbraw/zinc/80/34/88/709803488.db2.gz JAUAXYJKLZYCMZ-MRXNPFEDSA-N 2 2 342.447 1.275 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3ncccn3)C2)CC1 ZINC001034384377 709911332 /nfs/dbraw/zinc/91/13/32/709911332.db2.gz FADPSKJAKLSHLO-INIZCTEOSA-N 2 2 331.464 1.289 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001034384377 709911335 /nfs/dbraw/zinc/91/13/35/709911335.db2.gz FADPSKJAKLSHLO-INIZCTEOSA-N 2 2 331.464 1.289 20 0 EDADLP Cn1nccc1CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001003067823 709919511 /nfs/dbraw/zinc/91/95/11/709919511.db2.gz MBCIBWKICYENDP-HZPDHXFCSA-N 2 2 342.447 1.070 20 0 EDADLP Cn1nccc1CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001003067823 709919515 /nfs/dbraw/zinc/91/95/15/709919515.db2.gz MBCIBWKICYENDP-HZPDHXFCSA-N 2 2 342.447 1.070 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001032834414 710008030 /nfs/dbraw/zinc/00/80/30/710008030.db2.gz AESOCOXBSSTNKE-HEAXLZMOSA-N 2 2 329.444 1.221 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001032834414 710008035 /nfs/dbraw/zinc/00/80/35/710008035.db2.gz AESOCOXBSSTNKE-HEAXLZMOSA-N 2 2 329.444 1.221 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](C/C=C/c3ccccc3)C2)C1 ZINC001032834414 710008040 /nfs/dbraw/zinc/00/80/40/710008040.db2.gz AESOCOXBSSTNKE-HEAXLZMOSA-N 2 2 329.444 1.221 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)C1 ZINC001032834414 710008045 /nfs/dbraw/zinc/00/80/45/710008045.db2.gz AESOCOXBSSTNKE-HEAXLZMOSA-N 2 2 329.444 1.221 20 0 EDADLP O=C(NC1CC[NH+](CCOC2CCC2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001003191953 710091347 /nfs/dbraw/zinc/09/13/47/710091347.db2.gz BARKJBHDAYVZIV-HNNXBMFYSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)nc1 ZINC001003635343 710462353 /nfs/dbraw/zinc/46/23/53/710462353.db2.gz OUQCZUGVIJDGDU-HOCLYGCPSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nc1 ZINC001003635343 710462355 /nfs/dbraw/zinc/46/23/55/710462355.db2.gz OUQCZUGVIJDGDU-HOCLYGCPSA-N 2 2 331.464 1.063 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnns2)CC1 ZINC001005592904 710640826 /nfs/dbraw/zinc/64/08/26/710640826.db2.gz ODCFBWCEIBEIMC-OAHLLOKOSA-N 2 2 337.493 1.445 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnns2)CC1 ZINC001005592904 710640828 /nfs/dbraw/zinc/64/08/28/710640828.db2.gz ODCFBWCEIBEIMC-OAHLLOKOSA-N 2 2 337.493 1.445 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1)C2 ZINC001034679863 710675341 /nfs/dbraw/zinc/67/53/41/710675341.db2.gz WJOPQCIYHPMOTL-NMFUWQPSSA-N 2 2 334.464 1.221 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1)CC2 ZINC001034679863 710675344 /nfs/dbraw/zinc/67/53/44/710675344.db2.gz WJOPQCIYHPMOTL-NMFUWQPSSA-N 2 2 334.464 1.221 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032946741 710929451 /nfs/dbraw/zinc/92/94/51/710929451.db2.gz YLVRZRQKEQZIPU-RDJZCZTQSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032946741 710929454 /nfs/dbraw/zinc/92/94/54/710929454.db2.gz YLVRZRQKEQZIPU-RDJZCZTQSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001032946741 710929456 /nfs/dbraw/zinc/92/94/56/710929456.db2.gz YLVRZRQKEQZIPU-RDJZCZTQSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001032946741 710929459 /nfs/dbraw/zinc/92/94/59/710929459.db2.gz YLVRZRQKEQZIPU-RDJZCZTQSA-N 2 2 332.448 1.217 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001034744294 710951524 /nfs/dbraw/zinc/95/15/24/710951524.db2.gz OVTCKXJQDPWUPB-BFYDXBDKSA-N 2 2 334.464 1.928 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001034776395 711052591 /nfs/dbraw/zinc/05/25/91/711052591.db2.gz RMUBEIXYNBDQAR-UBHSHLNASA-N 2 2 346.435 1.432 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001034777083 711055484 /nfs/dbraw/zinc/05/54/84/711055484.db2.gz FMHNXVDVJQWGDY-SHTZXODSSA-N 2 2 344.463 1.396 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC001005713396 711105533 /nfs/dbraw/zinc/10/55/33/711105533.db2.gz MXYDXUFYIFIQJN-HNNXBMFYSA-N 2 2 342.447 1.666 20 0 EDADLP CO[C@@H](C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1)C1CCCC1 ZINC001003973029 711128331 /nfs/dbraw/zinc/12/83/31/711128331.db2.gz DIMIRVUGOYEVOJ-SFHVURJKSA-N 2 2 348.491 1.748 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)c1csnn1 ZINC001034802317 711134795 /nfs/dbraw/zinc/13/47/95/711134795.db2.gz XBPIWXSPCOXWIU-JHJVBQTASA-N 2 2 334.449 1.513 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001034801626 711141792 /nfs/dbraw/zinc/14/17/92/711141792.db2.gz MVEYQXFYESRTLN-MRVWCRGKSA-N 2 2 332.408 1.353 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1)C12CC[NH+](CC1)C2 ZINC001003979646 711159703 /nfs/dbraw/zinc/15/97/03/711159703.db2.gz PFZKNEBHFBQSPU-UHFFFAOYSA-N 2 2 344.459 1.728 20 0 EDADLP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2)no1 ZINC001034831922 711238075 /nfs/dbraw/zinc/23/80/75/711238075.db2.gz ZMMZQYVAOWCRNC-KRWDZBQOSA-N 2 2 342.443 1.841 20 0 EDADLP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)no1 ZINC001034831922 711238078 /nfs/dbraw/zinc/23/80/78/711238078.db2.gz ZMMZQYVAOWCRNC-KRWDZBQOSA-N 2 2 342.443 1.841 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034953428 711415653 /nfs/dbraw/zinc/41/56/53/711415653.db2.gz AEPIVCARNYDAOH-HUUCEWRRSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034953428 711415657 /nfs/dbraw/zinc/41/56/57/711415657.db2.gz AEPIVCARNYDAOH-HUUCEWRRSA-N 2 2 337.493 1.493 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001034955434 711422824 /nfs/dbraw/zinc/42/28/24/711422824.db2.gz FUCIIMCGRUPZDI-GOSISDBHSA-N 2 2 342.443 1.615 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001034955434 711422825 /nfs/dbraw/zinc/42/28/25/711422825.db2.gz FUCIIMCGRUPZDI-GOSISDBHSA-N 2 2 342.443 1.615 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001034958049 711431195 /nfs/dbraw/zinc/43/11/95/711431195.db2.gz WVRSQYDLSSLDOF-OAHLLOKOSA-N 2 2 349.479 1.587 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001034958049 711431197 /nfs/dbraw/zinc/43/11/97/711431197.db2.gz WVRSQYDLSSLDOF-OAHLLOKOSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001034958470 711431940 /nfs/dbraw/zinc/43/19/40/711431940.db2.gz INJQMUTVQMWUFN-HIFRSBDPSA-N 2 2 344.419 1.233 20 0 EDADLP Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC001034959052 711433378 /nfs/dbraw/zinc/43/33/78/711433378.db2.gz PRMHRVOODYYTLU-JKSUJKDBSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC001034959052 711433380 /nfs/dbraw/zinc/43/33/80/711433380.db2.gz PRMHRVOODYYTLU-JKSUJKDBSA-N 2 2 349.479 1.437 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001034960499 711435498 /nfs/dbraw/zinc/43/54/98/711435498.db2.gz LYKZIDMMBKYTQB-CJNGLKHVSA-N 2 2 335.452 1.053 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001004160119 711599517 /nfs/dbraw/zinc/59/95/17/711599517.db2.gz ICTNTFIDNHBLRH-CYBMUJFWSA-N 2 2 328.420 1.323 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004468111 711842673 /nfs/dbraw/zinc/84/26/73/711842673.db2.gz GHCMLDZLVWAAAP-AEFFLSMTSA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004468111 711842674 /nfs/dbraw/zinc/84/26/74/711842674.db2.gz GHCMLDZLVWAAAP-AEFFLSMTSA-N 2 2 346.475 1.141 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004500207 711884880 /nfs/dbraw/zinc/88/48/80/711884880.db2.gz UYKVICZOOAQEBB-QGZVFWFLSA-N 2 2 348.491 1.702 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004500207 711884883 /nfs/dbraw/zinc/88/48/83/711884883.db2.gz UYKVICZOOAQEBB-QGZVFWFLSA-N 2 2 348.491 1.702 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)c[nH+]1 ZINC000946638343 712105586 /nfs/dbraw/zinc/10/55/86/712105586.db2.gz DWNBJDNVHQELEO-IYBDPMFKSA-N 2 2 334.464 1.089 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]3CC2)c[nH+]1 ZINC000946638343 712105592 /nfs/dbraw/zinc/10/55/92/712105592.db2.gz DWNBJDNVHQELEO-IYBDPMFKSA-N 2 2 334.464 1.089 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033152239 712145528 /nfs/dbraw/zinc/14/55/28/712145528.db2.gz NTJJBEQGZBBSSJ-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033152239 712145531 /nfs/dbraw/zinc/14/55/31/712145531.db2.gz NTJJBEQGZBBSSJ-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033152239 712145534 /nfs/dbraw/zinc/14/55/34/712145534.db2.gz NTJJBEQGZBBSSJ-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033152239 712145537 /nfs/dbraw/zinc/14/55/37/712145537.db2.gz NTJJBEQGZBBSSJ-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033152211 712151728 /nfs/dbraw/zinc/15/17/28/712151728.db2.gz NMMYYDMKVVRMKN-ZFWWWQNUSA-N 2 2 345.472 1.950 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033152211 712151730 /nfs/dbraw/zinc/15/17/30/712151730.db2.gz NMMYYDMKVVRMKN-ZFWWWQNUSA-N 2 2 345.472 1.950 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946644826 712152818 /nfs/dbraw/zinc/15/28/18/712152818.db2.gz JVKAXFIKOQKRHA-YESZJQIVSA-N 2 2 348.466 1.976 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946644826 712152820 /nfs/dbraw/zinc/15/28/20/712152820.db2.gz JVKAXFIKOQKRHA-YESZJQIVSA-N 2 2 348.466 1.976 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370128057 282190381 /nfs/dbraw/zinc/19/03/81/282190381.db2.gz CSSFCGKNGJTLHZ-HZPDHXFCSA-N 2 2 342.447 1.939 20 0 EDADLP CN(C(=O)C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCCCC1 ZINC000371295963 282215143 /nfs/dbraw/zinc/21/51/43/282215143.db2.gz WAVHLHYMYFTBSA-KURKYZTESA-N 2 2 337.508 1.961 20 0 EDADLP CN(C(=O)C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCCCC1 ZINC000371295963 282215145 /nfs/dbraw/zinc/21/51/45/282215145.db2.gz WAVHLHYMYFTBSA-KURKYZTESA-N 2 2 337.508 1.961 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000303028883 539355152 /nfs/dbraw/zinc/35/51/52/539355152.db2.gz SWGUVRGDTICWBH-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000303028883 539355160 /nfs/dbraw/zinc/35/51/60/539355160.db2.gz SWGUVRGDTICWBH-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccccc2)o1 ZINC000174713431 529887733 /nfs/dbraw/zinc/88/77/33/529887733.db2.gz PYAIANILNINADH-UHFFFAOYSA-N 2 2 329.448 1.806 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccccc2)o1 ZINC000174713431 529887734 /nfs/dbraw/zinc/88/77/34/529887734.db2.gz PYAIANILNINADH-UHFFFAOYSA-N 2 2 329.448 1.806 20 0 EDADLP COc1cc([C@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)ccn1 ZINC000559894905 306259664 /nfs/dbraw/zinc/25/96/64/306259664.db2.gz NTSFZRQCMHENFP-INIZCTEOSA-N 2 2 336.480 1.131 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C[C@H](O)C[NH3+] ZINC000420349953 282355047 /nfs/dbraw/zinc/35/50/47/282355047.db2.gz FJFRYILMKHECJB-MOPGFXCFSA-N 2 2 341.455 1.338 20 0 EDADLP C[N@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C[C@H](O)C[NH3+] ZINC000420349953 282355048 /nfs/dbraw/zinc/35/50/48/282355048.db2.gz FJFRYILMKHECJB-MOPGFXCFSA-N 2 2 341.455 1.338 20 0 EDADLP C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000101626491 219148418 /nfs/dbraw/zinc/14/84/18/219148418.db2.gz ACTKWTJDPKYIFF-JKSUJKDBSA-N 2 2 334.464 1.169 20 0 EDADLP COc1cc(C)nc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000329828521 539467297 /nfs/dbraw/zinc/46/72/97/539467297.db2.gz RVVQANGQQBHYGX-UHFFFAOYSA-N 2 2 333.480 2.156 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000332739478 539598701 /nfs/dbraw/zinc/59/87/01/539598701.db2.gz AOGNQAYIKVXQOA-HOTGVXAUSA-N 2 2 331.464 1.691 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000332739478 539598707 /nfs/dbraw/zinc/59/87/07/539598707.db2.gz AOGNQAYIKVXQOA-HOTGVXAUSA-N 2 2 331.464 1.691 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C)O1 ZINC000441330602 305221020 /nfs/dbraw/zinc/22/10/20/305221020.db2.gz LXYZLCASLHAIDP-XWTMOSNGSA-N 2 2 327.513 1.263 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)C[C@H](C)O1 ZINC000441330602 305221021 /nfs/dbraw/zinc/22/10/21/305221021.db2.gz LXYZLCASLHAIDP-XWTMOSNGSA-N 2 2 327.513 1.263 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NCCC[NH+]3CCOCC3)cn21 ZINC000069379090 215393949 /nfs/dbraw/zinc/39/39/49/215393949.db2.gz ZRTQRRQPNRCHFH-UHFFFAOYSA-N 2 2 331.420 1.164 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000562796672 306309500 /nfs/dbraw/zinc/30/95/00/306309500.db2.gz DTKIWMHPEKRNHF-QGZVFWFLSA-N 2 2 346.475 1.283 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000562796672 306309501 /nfs/dbraw/zinc/30/95/01/306309501.db2.gz DTKIWMHPEKRNHF-QGZVFWFLSA-N 2 2 346.475 1.283 20 0 EDADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000394529435 303854062 /nfs/dbraw/zinc/85/40/62/303854062.db2.gz PKNIBONLVARTSB-VXGBXAGGSA-N 2 2 325.457 1.877 20 0 EDADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563203589 306323195 /nfs/dbraw/zinc/32/31/95/306323195.db2.gz GJOSTRBYHIPEJY-GDBMZVCRSA-N 2 2 328.416 1.992 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166100172 540074744 /nfs/dbraw/zinc/07/47/44/540074744.db2.gz ZMPNDIIEKVMSMJ-QZTJIDSGSA-N 3 2 329.492 1.550 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166100172 540074745 /nfs/dbraw/zinc/07/47/45/540074745.db2.gz ZMPNDIIEKVMSMJ-QZTJIDSGSA-N 3 2 329.492 1.550 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000183361233 540137548 /nfs/dbraw/zinc/13/75/48/540137548.db2.gz BWOYVEHVWZHLBF-YJBOKZPZSA-N 2 2 349.450 1.831 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000183361233 540137550 /nfs/dbraw/zinc/13/75/50/540137550.db2.gz BWOYVEHVWZHLBF-YJBOKZPZSA-N 2 2 349.450 1.831 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000189067112 540162679 /nfs/dbraw/zinc/16/26/79/540162679.db2.gz XNFKXODCZSQSJC-UHFFFAOYSA-N 2 2 341.459 1.671 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000189067112 540162682 /nfs/dbraw/zinc/16/26/82/540162682.db2.gz XNFKXODCZSQSJC-UHFFFAOYSA-N 2 2 341.459 1.671 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000332955404 295903675 /nfs/dbraw/zinc/90/36/75/295903675.db2.gz JKNNQTXBIBVJCM-HOTGVXAUSA-N 2 2 348.495 1.293 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000046487572 138116664 /nfs/dbraw/zinc/11/66/64/138116664.db2.gz FUZPSBLEOSFHPK-KRWDZBQOSA-N 2 2 346.475 1.235 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000413061328 304054827 /nfs/dbraw/zinc/05/48/27/304054827.db2.gz NDPWQQOPCJUNQR-UHFFFAOYSA-N 2 2 326.485 1.272 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066176664 138176135 /nfs/dbraw/zinc/17/61/35/138176135.db2.gz PFFOJTNHIOYHCN-MRXNPFEDSA-N 2 2 327.432 1.757 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000067618902 138188430 /nfs/dbraw/zinc/18/84/30/138188430.db2.gz ODCAUZVGNQEXST-INIZCTEOSA-N 2 2 349.479 1.040 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645528 138188499 /nfs/dbraw/zinc/18/84/99/138188499.db2.gz HUJLEKCAFGCKQT-UHFFFAOYSA-N 2 2 328.351 1.707 20 0 EDADLP CCCCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069856012 138201437 /nfs/dbraw/zinc/20/14/37/138201437.db2.gz IMYQVFYAYASVBD-KRWDZBQOSA-N 2 2 325.497 1.679 20 0 EDADLP CCCCN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069856012 138201440 /nfs/dbraw/zinc/20/14/40/138201440.db2.gz IMYQVFYAYASVBD-KRWDZBQOSA-N 2 2 325.497 1.679 20 0 EDADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000076898099 138250136 /nfs/dbraw/zinc/25/01/36/138250136.db2.gz HELUZOWGVDFFCW-AWEZNQCLSA-N 2 2 338.448 1.913 20 0 EDADLP OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000084867320 138270197 /nfs/dbraw/zinc/27/01/97/138270197.db2.gz HJADUNHXEILDPB-HNNXBMFYSA-N 2 2 343.349 1.980 20 0 EDADLP OC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000084867320 138270198 /nfs/dbraw/zinc/27/01/98/138270198.db2.gz HJADUNHXEILDPB-HNNXBMFYSA-N 2 2 343.349 1.980 20 0 EDADLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)CCO1 ZINC000092079758 138286597 /nfs/dbraw/zinc/28/65/97/138286597.db2.gz WXPFLUAEMBSRCO-INIZCTEOSA-N 2 2 341.459 1.952 20 0 EDADLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)CCO1 ZINC000092079758 138286598 /nfs/dbraw/zinc/28/65/98/138286598.db2.gz WXPFLUAEMBSRCO-INIZCTEOSA-N 2 2 341.459 1.952 20 0 EDADLP CCCn1nc(C)c(C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)c1C ZINC000093045201 138291373 /nfs/dbraw/zinc/29/13/73/138291373.db2.gz LGUSCGPFINOCSO-UHFFFAOYSA-N 2 2 349.523 1.896 20 0 EDADLP Cc1cccn2c(CN3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c[nH+]c12 ZINC000093821233 138294776 /nfs/dbraw/zinc/29/47/76/138294776.db2.gz YAUGNNITWKQUQT-QGZVFWFLSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1cccn2c(CN3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c[nH+]c12 ZINC000093821233 138294777 /nfs/dbraw/zinc/29/47/77/138294777.db2.gz YAUGNNITWKQUQT-QGZVFWFLSA-N 2 2 341.459 1.381 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106531818 138303287 /nfs/dbraw/zinc/30/32/87/138303287.db2.gz MUUVSJXEQJYEHV-HNNXBMFYSA-N 2 2 335.452 1.759 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000563653796 306343829 /nfs/dbraw/zinc/34/38/29/306343829.db2.gz BUHFIJXBVDPKKN-LSDHHAIUSA-N 2 2 332.366 1.784 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000563653796 306343830 /nfs/dbraw/zinc/34/38/30/306343830.db2.gz BUHFIJXBVDPKKN-LSDHHAIUSA-N 2 2 332.366 1.784 20 0 EDADLP C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[C@H](c1ccccc1)[NH+](C)C ZINC000413537595 304065487 /nfs/dbraw/zinc/06/54/87/304065487.db2.gz WWZWBURNFNQRCW-NRSFXHEJSA-N 2 2 346.475 1.402 20 0 EDADLP C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[C@H](c1ccccc1)[NH+](C)C ZINC000413537595 304065489 /nfs/dbraw/zinc/06/54/89/304065489.db2.gz WWZWBURNFNQRCW-NRSFXHEJSA-N 2 2 346.475 1.402 20 0 EDADLP Cc1nccnc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000187748742 236290721 /nfs/dbraw/zinc/29/07/21/236290721.db2.gz AVFDUOOROZMLNL-HNNXBMFYSA-N 2 2 341.463 1.438 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000564085585 306355510 /nfs/dbraw/zinc/35/55/10/306355510.db2.gz SVPAVZGXQAPDKX-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000564085585 306355509 /nfs/dbraw/zinc/35/55/09/306355509.db2.gz SVPAVZGXQAPDKX-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP COC1CCC(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000564321742 306358332 /nfs/dbraw/zinc/35/83/32/306358332.db2.gz KVCKMVNEOXTKSW-IBRUTMJSSA-N 2 2 328.497 1.641 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)CC2)cn1 ZINC000564726798 306363999 /nfs/dbraw/zinc/36/39/99/306363999.db2.gz QCHILMZDDCZCIU-KRWDZBQOSA-N 2 2 333.480 1.362 20 0 EDADLP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564722353 306363729 /nfs/dbraw/zinc/36/37/29/306363729.db2.gz KWTPISDPNJTWAE-CEXWTWQISA-N 3 2 341.540 1.558 20 0 EDADLP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564722353 306363730 /nfs/dbraw/zinc/36/37/30/306363730.db2.gz KWTPISDPNJTWAE-CEXWTWQISA-N 3 2 341.540 1.558 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000564728413 306364249 /nfs/dbraw/zinc/36/42/49/306364249.db2.gz HTTYAPMIOHFANR-NWDGAFQWSA-N 2 2 329.404 1.268 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000565154727 306376213 /nfs/dbraw/zinc/37/62/13/306376213.db2.gz BAZNJUYWRDTWPA-OCCSQVGLSA-N 2 2 325.840 1.647 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000565154727 306376214 /nfs/dbraw/zinc/37/62/14/306376214.db2.gz BAZNJUYWRDTWPA-OCCSQVGLSA-N 2 2 325.840 1.647 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000565707956 306389130 /nfs/dbraw/zinc/38/91/30/306389130.db2.gz IRXBIIBAPUGVSX-FMKPAKJESA-N 2 2 333.432 1.065 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000565707956 306389131 /nfs/dbraw/zinc/38/91/31/306389131.db2.gz IRXBIIBAPUGVSX-FMKPAKJESA-N 2 2 333.432 1.065 20 0 EDADLP Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nn1 ZINC000414383680 304113265 /nfs/dbraw/zinc/11/32/65/304113265.db2.gz NRLSQYOJOAQPFW-GOSISDBHSA-N 2 2 333.480 1.012 20 0 EDADLP Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nn1 ZINC000414383680 304113267 /nfs/dbraw/zinc/11/32/67/304113267.db2.gz NRLSQYOJOAQPFW-GOSISDBHSA-N 2 2 333.480 1.012 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414479057 304117799 /nfs/dbraw/zinc/11/77/99/304117799.db2.gz GXQJFEHEVQPRPO-UHFFFAOYSA-N 3 2 347.507 1.034 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000566575965 306420523 /nfs/dbraw/zinc/42/05/23/306420523.db2.gz NKXODBYXMOSOKD-UHFFFAOYSA-N 2 2 343.431 1.840 20 0 EDADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4C[NH2+]CCCO4)[C@H]3C2)cc1 ZINC000415036766 304153363 /nfs/dbraw/zinc/15/33/63/304153363.db2.gz KEYZXWFIGCQNRY-MUGJNUQGSA-N 3 2 329.488 1.865 20 0 EDADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4C[NH2+]CCCO4)[C@H]3C2)cc1 ZINC000415036766 304153365 /nfs/dbraw/zinc/15/33/65/304153365.db2.gz KEYZXWFIGCQNRY-MUGJNUQGSA-N 3 2 329.488 1.865 20 0 EDADLP [NH3+]CCc1nc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cs1 ZINC000194758121 139000190 /nfs/dbraw/zinc/00/01/90/139000190.db2.gz SMJYTLOKMYCXCM-UHFFFAOYSA-N 2 2 331.445 1.570 20 0 EDADLP Cc1cc(N2CCN(C(=O)CC3CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000236883854 139034056 /nfs/dbraw/zinc/03/40/56/139034056.db2.gz MKRHHPBFSVJDRR-UHFFFAOYSA-N 2 2 345.491 1.947 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000237028795 139038430 /nfs/dbraw/zinc/03/84/30/139038430.db2.gz OGBYGRIEOTZGJY-KRWDZBQOSA-N 2 2 346.475 1.089 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237276106 139046288 /nfs/dbraw/zinc/04/62/88/139046288.db2.gz QDLCRLSILCOSTD-CVEARBPZSA-N 2 2 337.489 1.257 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000237321691 139047790 /nfs/dbraw/zinc/04/77/90/139047790.db2.gz LCDIGMBUPXNSHE-INIZCTEOSA-N 2 2 337.489 1.215 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+]C[C@@H]3CCCO3)CC2)c1 ZINC000237627589 139056337 /nfs/dbraw/zinc/05/63/37/139056337.db2.gz UVFFRIFLRNJEIB-SFHVURJKSA-N 2 2 331.460 1.408 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237665496 139057475 /nfs/dbraw/zinc/05/74/75/139057475.db2.gz JFWFXOQQRNMWST-KRWDZBQOSA-N 2 2 326.400 1.865 20 0 EDADLP Cc1cc(NC(=O)[C@H]2COCC[NH2+]2)ccc1OCC[NH+]1CCCC1 ZINC000237724846 139058745 /nfs/dbraw/zinc/05/87/45/139058745.db2.gz SHHSFAUWHYRGFW-MRXNPFEDSA-N 2 2 333.432 1.397 20 0 EDADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081122656 217363928 /nfs/dbraw/zinc/36/39/28/217363928.db2.gz HBSQETGLWCSNRQ-SFHVURJKSA-N 2 2 348.466 1.154 20 0 EDADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081122656 217363932 /nfs/dbraw/zinc/36/39/32/217363932.db2.gz HBSQETGLWCSNRQ-SFHVURJKSA-N 2 2 348.466 1.154 20 0 EDADLP O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000237939617 139064407 /nfs/dbraw/zinc/06/44/07/139064407.db2.gz HPDHQYBGZRCPHX-QGZVFWFLSA-N 2 2 333.432 1.226 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000238020500 139066656 /nfs/dbraw/zinc/06/66/56/139066656.db2.gz BBRFTTQHTMXBCK-RDJZCZTQSA-N 2 2 335.473 1.011 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000081349289 217385800 /nfs/dbraw/zinc/38/58/00/217385800.db2.gz BPOOKYMYUDAODD-CRAIPNDOSA-N 2 2 347.459 1.231 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000081349289 217385803 /nfs/dbraw/zinc/38/58/03/217385803.db2.gz BPOOKYMYUDAODD-CRAIPNDOSA-N 2 2 347.459 1.231 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245424069 139073970 /nfs/dbraw/zinc/07/39/70/139073970.db2.gz JVWAHFFWNPRFOS-GOEBONIOSA-N 2 2 332.448 1.997 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245424069 139073971 /nfs/dbraw/zinc/07/39/71/139073971.db2.gz JVWAHFFWNPRFOS-GOEBONIOSA-N 2 2 332.448 1.997 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245424069 139073972 /nfs/dbraw/zinc/07/39/72/139073972.db2.gz JVWAHFFWNPRFOS-GOEBONIOSA-N 2 2 332.448 1.997 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245424069 139073973 /nfs/dbraw/zinc/07/39/73/139073973.db2.gz JVWAHFFWNPRFOS-GOEBONIOSA-N 2 2 332.448 1.997 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000245550933 139078983 /nfs/dbraw/zinc/07/89/83/139078983.db2.gz OVWSQTYBLZRUGT-OAGGEKHMSA-N 2 2 329.448 1.538 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000245550933 139078984 /nfs/dbraw/zinc/07/89/84/139078984.db2.gz OVWSQTYBLZRUGT-OAGGEKHMSA-N 2 2 329.448 1.538 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000245819444 139086805 /nfs/dbraw/zinc/08/68/05/139086805.db2.gz UCCRVZPISYCKST-MSOLQXFVSA-N 2 2 337.508 1.963 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000245819444 139086806 /nfs/dbraw/zinc/08/68/06/139086806.db2.gz UCCRVZPISYCKST-MSOLQXFVSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000246200510 139099004 /nfs/dbraw/zinc/09/90/04/139099004.db2.gz VQTVQIZMRDRSCR-DLBZAZTESA-N 2 2 334.439 1.064 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000246200510 139099005 /nfs/dbraw/zinc/09/90/05/139099005.db2.gz VQTVQIZMRDRSCR-DLBZAZTESA-N 2 2 334.439 1.064 20 0 EDADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246382647 139106374 /nfs/dbraw/zinc/10/63/74/139106374.db2.gz KEJRWJRGMRXCHN-OXFYSEKESA-N 2 2 343.471 1.443 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000246612091 139115024 /nfs/dbraw/zinc/11/50/24/139115024.db2.gz UVIKKNNYFVLRDL-GVDBMIGSSA-N 2 2 338.496 1.269 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000415305628 304190060 /nfs/dbraw/zinc/19/00/60/304190060.db2.gz SHXWMFQHWYMFBL-OAHLLOKOSA-N 2 2 347.463 1.832 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415345866 304199442 /nfs/dbraw/zinc/19/94/42/304199442.db2.gz QQQNBYSUAXLFLI-ZDUSSCGKSA-N 2 2 340.383 1.633 20 0 EDADLP COCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665082 218240598 /nfs/dbraw/zinc/24/05/98/218240598.db2.gz ZPRWGVCPXVOVCA-KRWDZBQOSA-N 2 2 334.460 1.866 20 0 EDADLP COCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665082 218240599 /nfs/dbraw/zinc/24/05/99/218240599.db2.gz ZPRWGVCPXVOVCA-KRWDZBQOSA-N 2 2 334.460 1.866 20 0 EDADLP CC(=O)Nc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000093821354 218253487 /nfs/dbraw/zinc/25/34/87/218253487.db2.gz OYIORBWQOWSCLA-SFHVURJKSA-N 2 2 344.459 1.383 20 0 EDADLP CC(=O)Nc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000093821354 218253489 /nfs/dbraw/zinc/25/34/89/218253489.db2.gz OYIORBWQOWSCLA-SFHVURJKSA-N 2 2 344.459 1.383 20 0 EDADLP C[NH+]1CCN(Cc2ccc(-c3nc(C4([NH3+])CCC4)no3)cc2)CC1 ZINC000261710283 139219433 /nfs/dbraw/zinc/21/94/33/139219433.db2.gz IWAYGBBZLSQOJT-UHFFFAOYSA-N 2 2 327.432 1.822 20 0 EDADLP CN1CC[NH+](Cc2ccc(-c3nc(C4([NH3+])CCC4)no3)cc2)CC1 ZINC000261710283 139219434 /nfs/dbraw/zinc/21/94/34/139219434.db2.gz IWAYGBBZLSQOJT-UHFFFAOYSA-N 2 2 327.432 1.822 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(C)c1 ZINC000261724550 139220684 /nfs/dbraw/zinc/22/06/84/139220684.db2.gz NTSJVJGJALZKIG-LJQANCHMSA-N 2 2 346.475 1.337 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)c1 ZINC000261724550 139220685 /nfs/dbraw/zinc/22/06/85/139220685.db2.gz NTSJVJGJALZKIG-LJQANCHMSA-N 2 2 346.475 1.337 20 0 EDADLP C[C@@]1(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261734644 139221801 /nfs/dbraw/zinc/22/18/01/139221801.db2.gz HOOWUFBKYHZYEH-GOSISDBHSA-N 2 2 334.439 1.381 20 0 EDADLP CC[C@@H]1C[C@@H](C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)CCO1 ZINC000261718860 139220244 /nfs/dbraw/zinc/22/02/44/139220244.db2.gz KNVJNBFYFRNOIV-GOEBONIOSA-N 2 2 333.480 1.766 20 0 EDADLP c1cc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)[nH+]cc1N1CCOCC1 ZINC000261857313 139231889 /nfs/dbraw/zinc/23/18/89/139231889.db2.gz BVYHVTUDZLTYFY-GVDBMIGSSA-N 2 2 332.448 1.487 20 0 EDADLP [NH3+]C[C@@H](NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000415460106 304223602 /nfs/dbraw/zinc/22/36/02/304223602.db2.gz XWXBNPDATDRJGM-MRXNPFEDSA-N 2 2 340.383 1.666 20 0 EDADLP CCOc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1F ZINC000262018866 139244223 /nfs/dbraw/zinc/24/42/23/139244223.db2.gz VXNXIIWGWMAVLD-HNNXBMFYSA-N 2 2 335.423 1.621 20 0 EDADLP CCOc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1F ZINC000262018866 139244224 /nfs/dbraw/zinc/24/42/24/139244224.db2.gz VXNXIIWGWMAVLD-HNNXBMFYSA-N 2 2 335.423 1.621 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2nccn2-c2ccccc2)C1 ZINC000262048779 139246608 /nfs/dbraw/zinc/24/66/08/139246608.db2.gz ZJCBFKWIBWJSKV-KRWDZBQOSA-N 2 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000262048779 139246609 /nfs/dbraw/zinc/24/66/09/139246609.db2.gz ZJCBFKWIBWJSKV-KRWDZBQOSA-N 2 2 339.443 1.269 20 0 EDADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262072691 139248613 /nfs/dbraw/zinc/24/86/13/139248613.db2.gz BTILONISZWKEHX-PBHICJAKSA-N 2 2 349.500 1.859 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000416881369 251117080 /nfs/dbraw/zinc/11/70/80/251117080.db2.gz HBPKFEALPJQQKP-CQSZACIVSA-N 2 2 337.374 1.641 20 0 EDADLP CCC[NH2+]CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000416993369 251120601 /nfs/dbraw/zinc/12/06/01/251120601.db2.gz SHGTZXCCHZPNGF-CQSZACIVSA-N 2 2 335.452 1.106 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]3C[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000416995952 251122811 /nfs/dbraw/zinc/12/28/11/251122811.db2.gz WDKKQNZWWRKLHW-IIAWOOMASA-N 2 2 347.463 1.328 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CC1 ZINC000416994969 251123067 /nfs/dbraw/zinc/12/30/67/251123067.db2.gz UYJSUWQEJUBDRJ-INIZCTEOSA-N 2 2 331.464 1.999 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416996557 251123136 /nfs/dbraw/zinc/12/31/36/251123136.db2.gz WYIVNLJVQVHSQV-IJEWVQPXSA-N 2 2 349.479 1.478 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCCO1 ZINC000416998826 251125242 /nfs/dbraw/zinc/12/52/42/251125242.db2.gz YYJXGKIWMQFUCR-MRXNPFEDSA-N 2 2 347.463 1.331 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000417252350 251149777 /nfs/dbraw/zinc/14/97/77/251149777.db2.gz AQKIHWAZXNUFJR-GDBMZVCRSA-N 2 2 344.525 1.011 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417660858 251217995 /nfs/dbraw/zinc/21/79/95/251217995.db2.gz NXXVTQQJQSBEES-BYCMXARLSA-N 2 2 340.418 1.865 20 0 EDADLP C[C@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@H]1[NH3+] ZINC000417846676 251296111 /nfs/dbraw/zinc/29/61/11/251296111.db2.gz PWKWNHYQMFZLQG-GOEBONIOSA-N 2 2 327.432 1.614 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000262464333 139280903 /nfs/dbraw/zinc/28/09/03/139280903.db2.gz WCYRFVMIZGKRLR-HOTGVXAUSA-N 2 2 331.460 1.523 20 0 EDADLP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000262470432 139281109 /nfs/dbraw/zinc/28/11/09/139281109.db2.gz WWUWCTBZNFQMDY-CVEARBPZSA-N 2 2 337.851 1.097 20 0 EDADLP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000262470432 139281110 /nfs/dbraw/zinc/28/11/10/139281110.db2.gz WWUWCTBZNFQMDY-CVEARBPZSA-N 2 2 337.851 1.097 20 0 EDADLP CCn1nncc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417853198 251298594 /nfs/dbraw/zinc/29/85/94/251298594.db2.gz HWFXSXPRUDPZMQ-UHFFFAOYSA-N 2 2 328.464 1.600 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000418425333 251367093 /nfs/dbraw/zinc/36/70/93/251367093.db2.gz HZXFSSRLIKPHOP-MRXNPFEDSA-N 2 2 325.416 1.613 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)C(F)F ZINC000418719739 251396207 /nfs/dbraw/zinc/39/62/07/251396207.db2.gz VHGASPRYZJEZMM-GFCCVEGCSA-N 2 2 332.420 1.558 20 0 EDADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C[C@@H](C)C1 ZINC000418719814 251397068 /nfs/dbraw/zinc/39/70/68/251397068.db2.gz FQUFOUQSEUHJBQ-LJISPDSOSA-N 2 2 344.450 1.603 20 0 EDADLP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C[C@@H](C)C1 ZINC000418719814 251397071 /nfs/dbraw/zinc/39/70/71/251397071.db2.gz FQUFOUQSEUHJBQ-LJISPDSOSA-N 2 2 344.450 1.603 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000262669872 139294871 /nfs/dbraw/zinc/29/48/71/139294871.db2.gz NBOCLHPLGZKHKH-BZSNNMDCSA-N 2 2 331.460 1.612 20 0 EDADLP COc1ccccc1N1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422875878 252008879 /nfs/dbraw/zinc/00/88/79/252008879.db2.gz PSLQGUOAVGYMKM-ZYSHUDEJSA-N 2 2 331.460 1.631 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000422883173 252009140 /nfs/dbraw/zinc/00/91/40/252009140.db2.gz BTWLXDMBQDYKSO-KBXCAEBGSA-N 2 2 331.460 1.823 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000422883173 252009142 /nfs/dbraw/zinc/00/91/42/252009142.db2.gz BTWLXDMBQDYKSO-KBXCAEBGSA-N 2 2 331.460 1.823 20 0 EDADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000423154274 252039712 /nfs/dbraw/zinc/03/97/12/252039712.db2.gz JFPICOHOTZKHLY-GXTWGEPZSA-N 2 2 327.266 1.860 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000423319410 252046270 /nfs/dbraw/zinc/04/62/70/252046270.db2.gz FEXRWOUWACQZSN-UHOSZYNNSA-N 2 2 345.487 1.873 20 0 EDADLP COCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423358445 252052671 /nfs/dbraw/zinc/05/26/71/252052671.db2.gz UEFKJEJNQMYSEI-HNNXBMFYSA-N 2 2 327.375 1.192 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423414083 252053446 /nfs/dbraw/zinc/05/34/46/252053446.db2.gz BKNMCRPTRJAATO-NHYWBVRUSA-N 2 2 327.375 1.192 20 0 EDADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CCC[NH2+]1 ZINC000423413012 252053786 /nfs/dbraw/zinc/05/37/86/252053786.db2.gz JGBQQBJBHNTACK-DNVCBOLYSA-N 2 2 333.476 1.784 20 0 EDADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000423523532 252059110 /nfs/dbraw/zinc/05/91/10/252059110.db2.gz SAWWSTQMXHVDRQ-ICSRJNTNSA-N 2 2 340.471 1.867 20 0 EDADLP Cn1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424128504 252133991 /nfs/dbraw/zinc/13/39/91/252133991.db2.gz FNMRPWQSNDOBSF-UONOGXRCSA-N 2 2 342.447 1.630 20 0 EDADLP CCc1nc(CN2CC[NH+](C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)no1 ZINC000424303799 252194720 /nfs/dbraw/zinc/19/47/20/252194720.db2.gz PDWMMDCLRZHEEP-OAHLLOKOSA-N 2 2 347.438 1.631 20 0 EDADLP NC(=O)[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000424328676 252195992 /nfs/dbraw/zinc/19/59/92/252195992.db2.gz FLWFQOWEYDWYOS-JHJVBQTASA-N 2 2 326.238 1.835 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263006506 139317344 /nfs/dbraw/zinc/31/73/44/139317344.db2.gz PHHKYEWKODOYMU-HNNXBMFYSA-N 2 2 341.377 1.904 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)nc(C)[nH+]1 ZINC000263201452 139328074 /nfs/dbraw/zinc/32/80/74/139328074.db2.gz JDVKQZBFZDUUJK-ZDUSSCGKSA-N 2 2 339.390 1.176 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000263249198 139330879 /nfs/dbraw/zinc/33/08/79/139330879.db2.gz IYCTYIROBKTJMB-OAGGEKHMSA-N 2 2 325.416 1.804 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263263891 139331790 /nfs/dbraw/zinc/33/17/90/139331790.db2.gz RGIUTDZHSQSLMO-HBFSDRIKSA-N 2 2 345.487 1.911 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263263891 139331791 /nfs/dbraw/zinc/33/17/91/139331791.db2.gz RGIUTDZHSQSLMO-HBFSDRIKSA-N 2 2 345.487 1.911 20 0 EDADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000263293615 139333803 /nfs/dbraw/zinc/33/38/03/139333803.db2.gz WAHPDMGGVOISJT-MAUKXSAKSA-N 2 2 332.448 1.442 20 0 EDADLP CCCCCNC(=O)C[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000112412449 220324474 /nfs/dbraw/zinc/32/44/74/220324474.db2.gz MFPALVUXXXLQSC-UHFFFAOYSA-N 2 2 338.540 1.785 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570306829 306536915 /nfs/dbraw/zinc/53/69/15/306536915.db2.gz YXHRXXGKGWUJTH-ZWKOTPCHSA-N 2 2 339.443 1.682 20 0 EDADLP COCCCNC(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000487547476 255032710 /nfs/dbraw/zinc/03/27/10/255032710.db2.gz GVPRBQUNTZOSSW-UHFFFAOYSA-N 2 2 339.402 1.488 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)ccc2[nH+]1 ZINC000488628475 255047147 /nfs/dbraw/zinc/04/71/47/255047147.db2.gz YLLLHEOKAHLBNG-HNNXBMFYSA-N 2 2 343.431 1.380 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)ccc2[nH+]1 ZINC000488628475 255047149 /nfs/dbraw/zinc/04/71/49/255047149.db2.gz YLLLHEOKAHLBNG-HNNXBMFYSA-N 2 2 343.431 1.380 20 0 EDADLP COc1ccc([C@H](CNC(=O)/C=C/C[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000491639319 255136375 /nfs/dbraw/zinc/13/63/75/255136375.db2.gz IUBLJIYTAFSJGE-WRFKIARRSA-N 2 2 347.459 1.303 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000493817102 255222439 /nfs/dbraw/zinc/22/24/39/255222439.db2.gz HAKRRFOQGOSQBB-PRVDXRAFSA-N 2 2 340.427 1.422 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000493817102 255222440 /nfs/dbraw/zinc/22/24/40/255222440.db2.gz HAKRRFOQGOSQBB-PRVDXRAFSA-N 2 2 340.427 1.422 20 0 EDADLP C[NH+](C)CCCOc1cnccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493129977 255192990 /nfs/dbraw/zinc/19/29/90/255192990.db2.gz WCIOPURMGYGFFK-SNAWJCMRSA-N 2 2 329.404 1.465 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000494668709 255256886 /nfs/dbraw/zinc/25/68/86/255256886.db2.gz SKCJGPLYKZKUSL-GOSISDBHSA-N 2 2 348.491 1.658 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000494668709 255256887 /nfs/dbraw/zinc/25/68/87/255256887.db2.gz SKCJGPLYKZKUSL-GOSISDBHSA-N 2 2 348.491 1.658 20 0 EDADLP O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495005409 255265373 /nfs/dbraw/zinc/26/53/73/255265373.db2.gz OMKLTBYLTHCXQC-ZIAGYGMSSA-N 2 2 345.399 1.758 20 0 EDADLP O[C@@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495005409 255265374 /nfs/dbraw/zinc/26/53/74/255265374.db2.gz OMKLTBYLTHCXQC-ZIAGYGMSSA-N 2 2 345.399 1.758 20 0 EDADLP CN1C[C@H](C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)OC1=O ZINC000495792745 255326120 /nfs/dbraw/zinc/32/61/20/255326120.db2.gz HCCLOSROYYZDBV-GOSISDBHSA-N 2 2 346.475 1.187 20 0 EDADLP CN1C[C@H](C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)OC1=O ZINC000495792745 255326121 /nfs/dbraw/zinc/32/61/21/255326121.db2.gz HCCLOSROYYZDBV-GOSISDBHSA-N 2 2 346.475 1.187 20 0 EDADLP CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496474406 255396204 /nfs/dbraw/zinc/39/62/04/255396204.db2.gz CFYXNYWUBARPDA-HOTGVXAUSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496474406 255396205 /nfs/dbraw/zinc/39/62/05/255396205.db2.gz CFYXNYWUBARPDA-HOTGVXAUSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)NC(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000496474406 255396206 /nfs/dbraw/zinc/39/62/06/255396206.db2.gz CFYXNYWUBARPDA-HOTGVXAUSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)NC(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000496474406 255396207 /nfs/dbraw/zinc/39/62/07/255396207.db2.gz CFYXNYWUBARPDA-HOTGVXAUSA-N 2 2 327.469 1.431 20 0 EDADLP CN(C[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1)C(=O)OC(C)(C)C ZINC000496229916 255367122 /nfs/dbraw/zinc/36/71/22/255367122.db2.gz VIFXWUZKFDKHQO-HNNXBMFYSA-N 2 2 338.452 1.748 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000570444858 306542542 /nfs/dbraw/zinc/54/25/42/306542542.db2.gz XJSPQPBIUVVBCI-KRWDZBQOSA-N 2 2 335.448 1.340 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC000333144315 285291304 /nfs/dbraw/zinc/29/13/04/285291304.db2.gz CVDMIHQJLXOAAY-HZPDHXFCSA-N 2 2 331.464 1.264 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC000333144315 285291307 /nfs/dbraw/zinc/29/13/07/285291307.db2.gz CVDMIHQJLXOAAY-HZPDHXFCSA-N 2 2 331.464 1.264 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000263989414 139374326 /nfs/dbraw/zinc/37/43/26/139374326.db2.gz FUNIYYJIPVYMLG-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000263989414 139374327 /nfs/dbraw/zinc/37/43/27/139374327.db2.gz FUNIYYJIPVYMLG-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP CC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117803667 221091163 /nfs/dbraw/zinc/09/11/63/221091163.db2.gz QIYYNAHTPLXONS-OAHLLOKOSA-N 2 2 336.455 1.404 20 0 EDADLP CC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117803667 221091164 /nfs/dbraw/zinc/09/11/64/221091164.db2.gz QIYYNAHTPLXONS-OAHLLOKOSA-N 2 2 336.455 1.404 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000119554382 221347108 /nfs/dbraw/zinc/34/71/08/221347108.db2.gz WHPQYUSTSSZVRQ-KBPBESRZSA-N 2 2 348.447 1.513 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000119612702 221360319 /nfs/dbraw/zinc/36/03/19/221360319.db2.gz XDRQEJSLQQFERN-QGZVFWFLSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000119612702 221360321 /nfs/dbraw/zinc/36/03/21/221360321.db2.gz XDRQEJSLQQFERN-QGZVFWFLSA-N 2 2 337.508 1.964 20 0 EDADLP CCC(C)(C)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119705179 221382075 /nfs/dbraw/zinc/38/20/75/221382075.db2.gz PAFVVDXYEDYMCB-SJPCQFCGSA-N 2 2 336.524 1.534 20 0 EDADLP CCC(C)(C)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119705179 221382077 /nfs/dbraw/zinc/38/20/77/221382077.db2.gz PAFVVDXYEDYMCB-SJPCQFCGSA-N 2 2 336.524 1.534 20 0 EDADLP CCC(C)(C)NC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119705179 221382079 /nfs/dbraw/zinc/38/20/79/221382079.db2.gz PAFVVDXYEDYMCB-SJPCQFCGSA-N 2 2 336.524 1.534 20 0 EDADLP CCC(C)(C)NC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119705179 221382081 /nfs/dbraw/zinc/38/20/81/221382081.db2.gz PAFVVDXYEDYMCB-SJPCQFCGSA-N 2 2 336.524 1.534 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)cc2)C1 ZINC000371063749 285362395 /nfs/dbraw/zinc/36/23/95/285362395.db2.gz QEUIWTKQUYFWGI-ULQDDVLXSA-N 2 2 335.423 1.408 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)cc2)C1 ZINC000371063749 285362398 /nfs/dbraw/zinc/36/23/98/285362398.db2.gz QEUIWTKQUYFWGI-ULQDDVLXSA-N 2 2 335.423 1.408 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)C1 ZINC000371063749 285362403 /nfs/dbraw/zinc/36/24/03/285362403.db2.gz QEUIWTKQUYFWGI-ULQDDVLXSA-N 2 2 335.423 1.408 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)C1 ZINC000371063749 285362409 /nfs/dbraw/zinc/36/24/09/285362409.db2.gz QEUIWTKQUYFWGI-ULQDDVLXSA-N 2 2 335.423 1.408 20 0 EDADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCC1 ZINC000446844504 285399305 /nfs/dbraw/zinc/39/93/05/285399305.db2.gz UFUASEWZMQXWJH-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCC1 ZINC000446844504 285399307 /nfs/dbraw/zinc/39/93/07/285399307.db2.gz UFUASEWZMQXWJH-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416221900 304297107 /nfs/dbraw/zinc/29/71/07/304297107.db2.gz LZFDDKKOGJNPIC-WMZOPIPTSA-N 2 2 333.476 1.859 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416221897 304297246 /nfs/dbraw/zinc/29/72/46/304297246.db2.gz LZFDDKKOGJNPIC-AEFFLSMTSA-N 2 2 333.476 1.859 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000270371691 140087925 /nfs/dbraw/zinc/08/79/25/140087925.db2.gz UJCFMDGAESIZMY-GFCCVEGCSA-N 2 2 338.419 1.359 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000270371691 140087927 /nfs/dbraw/zinc/08/79/27/140087927.db2.gz UJCFMDGAESIZMY-GFCCVEGCSA-N 2 2 338.419 1.359 20 0 EDADLP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000270498866 140111652 /nfs/dbraw/zinc/11/16/52/140111652.db2.gz HPQJDBBHFQEZAC-OAHLLOKOSA-N 2 2 339.443 1.520 20 0 EDADLP CS[C@@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@H]1[NH+](C)C ZINC000271132842 140243225 /nfs/dbraw/zinc/24/32/25/140243225.db2.gz NJQTZSFNNBDCRW-HZPDHXFCSA-N 2 2 332.473 1.849 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000331382465 141014520 /nfs/dbraw/zinc/01/45/20/141014520.db2.gz FVTXZDZLUMKWIO-CQSZACIVSA-N 2 2 330.436 1.898 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)[C@H]1C ZINC000331965975 141104212 /nfs/dbraw/zinc/10/42/12/141104212.db2.gz RFVWTRKTGSSBMF-OWCLPIDISA-N 2 2 333.480 1.483 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[C@H]1[NH3+] ZINC000332075389 141118488 /nfs/dbraw/zinc/11/84/88/141118488.db2.gz YGRBGCCRMUXDII-GOEBONIOSA-N 2 2 331.464 1.951 20 0 EDADLP COC(=O)c1occc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000332170509 141134615 /nfs/dbraw/zinc/13/46/15/141134615.db2.gz VXHNTSVSCORHMR-HZPDHXFCSA-N 2 2 336.432 1.924 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)C[N@@H+]1C1CC1 ZINC000333062727 141257739 /nfs/dbraw/zinc/25/77/39/141257739.db2.gz SRDSBMOVQOKDNW-FHIRATQRSA-N 2 2 347.463 1.565 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)C[N@H+]1C1CC1 ZINC000333062727 141257741 /nfs/dbraw/zinc/25/77/41/141257741.db2.gz SRDSBMOVQOKDNW-FHIRATQRSA-N 2 2 347.463 1.565 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333132925 141269533 /nfs/dbraw/zinc/26/95/33/141269533.db2.gz BXXPYIQXYWWFDD-DLBZAZTESA-N 2 2 343.475 1.834 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000333559825 141337124 /nfs/dbraw/zinc/33/71/24/141337124.db2.gz LGADJEYYEHOHBP-GRIRQICOSA-N 2 2 336.386 1.227 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000333559825 141337125 /nfs/dbraw/zinc/33/71/25/141337125.db2.gz LGADJEYYEHOHBP-GRIRQICOSA-N 2 2 336.386 1.227 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000337322557 141572146 /nfs/dbraw/zinc/57/21/46/141572146.db2.gz DLIKQLAGBPTIIH-QGZVFWFLSA-N 2 2 342.528 1.717 20 0 EDADLP C[C@H]1CCC[C@](CNC(=O)C(=O)NCCCn2cc[nH+]c2)([NH+](C)C)C1 ZINC000339529430 142067170 /nfs/dbraw/zinc/06/71/70/142067170.db2.gz SJITWXWPHTVTEI-YJBOKZPZSA-N 2 2 349.479 1.016 20 0 EDADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2nnc(-c3ccco3)o2)CC1 ZINC000339987308 142223768 /nfs/dbraw/zinc/22/37/68/142223768.db2.gz SDKMANCNHYGNBY-UHFFFAOYSA-N 2 2 333.392 1.542 20 0 EDADLP CC(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340258868 142322435 /nfs/dbraw/zinc/32/24/35/142322435.db2.gz VKEYPMCMZTVSJL-NVXWUHKLSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000340258485 142322605 /nfs/dbraw/zinc/32/26/05/142322605.db2.gz HPJOOAVYLNAURM-CABCVRRESA-N 2 2 347.463 1.106 20 0 EDADLP COC(=O)c1occc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000345817235 143136538 /nfs/dbraw/zinc/13/65/38/143136538.db2.gz XKTQFBAFWNEHNV-UHFFFAOYSA-N 2 2 335.448 1.526 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000346119950 143169834 /nfs/dbraw/zinc/16/98/34/143169834.db2.gz UUXRQLVUUWWBQT-KRWDZBQOSA-N 2 2 326.444 1.866 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000346126893 143170403 /nfs/dbraw/zinc/17/04/03/143170403.db2.gz BVGSXAXJODDJQR-CQSZACIVSA-N 2 2 343.431 1.592 20 0 EDADLP C[C@@H]1CC(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000346169974 143174504 /nfs/dbraw/zinc/17/45/04/143174504.db2.gz FSFDVIWFNHWBBC-HUUCEWRRSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000346665614 143228802 /nfs/dbraw/zinc/22/88/02/143228802.db2.gz OSSVOFBKAXGLAQ-JTQLQIEISA-N 2 2 328.825 1.362 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)[C@@H]2CCCCNC2=O)CCC[NH+]1C ZINC000346912522 143259874 /nfs/dbraw/zinc/25/98/74/143259874.db2.gz FEJWIUUEUWJBAN-USXIJHARSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)[C@@H]2CCCCNC2=O)CCC[NH+]1C ZINC000346912522 143259875 /nfs/dbraw/zinc/25/98/75/143259875.db2.gz FEJWIUUEUWJBAN-USXIJHARSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)[C@@H]2CCCCNC2=O)CCC[N@@H+]1C ZINC000346912522 143259876 /nfs/dbraw/zinc/25/98/76/143259876.db2.gz FEJWIUUEUWJBAN-USXIJHARSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)[C@@H]2CCCCNC2=O)CCC[N@H+]1C ZINC000346912522 143259877 /nfs/dbraw/zinc/25/98/77/143259877.db2.gz FEJWIUUEUWJBAN-USXIJHARSA-N 2 2 333.480 1.404 20 0 EDADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000347248260 143300142 /nfs/dbraw/zinc/30/01/42/143300142.db2.gz XUXWKLXCTVEYGD-WMZOPIPTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000347248260 143300143 /nfs/dbraw/zinc/30/01/43/143300143.db2.gz XUXWKLXCTVEYGD-WMZOPIPTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000347248260 143300144 /nfs/dbraw/zinc/30/01/44/143300144.db2.gz XUXWKLXCTVEYGD-WMZOPIPTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000347248260 143300145 /nfs/dbraw/zinc/30/01/45/143300145.db2.gz XUXWKLXCTVEYGD-WMZOPIPTSA-N 2 2 331.460 1.176 20 0 EDADLP CCN(CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC000347297102 143305166 /nfs/dbraw/zinc/30/51/66/143305166.db2.gz GNUZAFHVTLVPKA-OAHLLOKOSA-N 2 2 337.430 1.915 20 0 EDADLP CCN(CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC000347297102 143305167 /nfs/dbraw/zinc/30/51/67/143305167.db2.gz GNUZAFHVTLVPKA-OAHLLOKOSA-N 2 2 337.430 1.915 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000347456137 143323763 /nfs/dbraw/zinc/32/37/63/143323763.db2.gz VYWLNUBQILURMU-PKOBYXMFSA-N 2 2 342.443 1.851 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000347456137 143323764 /nfs/dbraw/zinc/32/37/64/143323764.db2.gz VYWLNUBQILURMU-PKOBYXMFSA-N 2 2 342.443 1.851 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccn1 ZINC000347714847 143353246 /nfs/dbraw/zinc/35/32/46/143353246.db2.gz HVZPHKPHGSPACR-UHFFFAOYSA-N 2 2 343.431 1.765 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000347740013 143356718 /nfs/dbraw/zinc/35/67/18/143356718.db2.gz PEFGYLPDOASDJY-RBUKOAKNSA-N 2 2 345.487 1.688 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000347740013 143356719 /nfs/dbraw/zinc/35/67/19/143356719.db2.gz PEFGYLPDOASDJY-RBUKOAKNSA-N 2 2 345.487 1.688 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347740013 143356720 /nfs/dbraw/zinc/35/67/20/143356720.db2.gz PEFGYLPDOASDJY-RBUKOAKNSA-N 2 2 345.487 1.688 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347740013 143356721 /nfs/dbraw/zinc/35/67/21/143356721.db2.gz PEFGYLPDOASDJY-RBUKOAKNSA-N 2 2 345.487 1.688 20 0 EDADLP Cc1nc(C)n(C[C@H]2C[N@H+](CCCc3c[nH+]ccc3C)CCO2)n1 ZINC000347785624 143362852 /nfs/dbraw/zinc/36/28/52/143362852.db2.gz NQEPKQWHWIWSDS-GOSISDBHSA-N 2 2 329.448 1.932 20 0 EDADLP Cc1nc(C)n(C[C@H]2C[N@@H+](CCCc3c[nH+]ccc3C)CCO2)n1 ZINC000347785624 143362853 /nfs/dbraw/zinc/36/28/53/143362853.db2.gz NQEPKQWHWIWSDS-GOSISDBHSA-N 2 2 329.448 1.932 20 0 EDADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000347910112 143378063 /nfs/dbraw/zinc/37/80/63/143378063.db2.gz AVKXQRIDGLTMPW-ZIAGYGMSSA-N 2 2 336.436 1.062 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC(C)(C)C[NH+]3CCCC3)C[C@H]21 ZINC000348044282 143395404 /nfs/dbraw/zinc/39/54/04/143395404.db2.gz LYGMIZGFJLREBC-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC(C)(C)C[NH+]3CCCC3)C[C@H]21 ZINC000348044282 143395405 /nfs/dbraw/zinc/39/54/05/143395405.db2.gz LYGMIZGFJLREBC-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP COC1(C[NH2+]C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CCOCC1 ZINC000354877930 292122119 /nfs/dbraw/zinc/12/21/19/292122119.db2.gz YXFRXYWSJVUULY-LSDHHAIUSA-N 2 2 340.443 1.118 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H](O)c2cccnc2)([NH+]2CCCCC2)CC1 ZINC000369775223 155171013 /nfs/dbraw/zinc/17/10/13/155171013.db2.gz PAGMPTKAEJLBND-KRWDZBQOSA-N 2 2 346.475 1.182 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@H]1CC ZINC000338176430 286083701 /nfs/dbraw/zinc/08/37/01/286083701.db2.gz ORQKMSAONDEXEF-MRXNPFEDSA-N 2 2 341.496 1.057 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@H]1CC ZINC000338176430 286083702 /nfs/dbraw/zinc/08/37/02/286083702.db2.gz ORQKMSAONDEXEF-MRXNPFEDSA-N 2 2 341.496 1.057 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[C@H]1O ZINC000352695617 149119317 /nfs/dbraw/zinc/11/93/17/149119317.db2.gz IIBWKYKEABGBOU-ZWKOTPCHSA-N 2 2 347.459 1.303 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[C@H]1O ZINC000352695617 149119321 /nfs/dbraw/zinc/11/93/21/149119321.db2.gz IIBWKYKEABGBOU-ZWKOTPCHSA-N 2 2 347.459 1.303 20 0 EDADLP Clc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(-n2cncn2)c1 ZINC000352719680 149128108 /nfs/dbraw/zinc/12/81/08/149128108.db2.gz LSENOAHRJTZYEO-INIZCTEOSA-N 2 2 346.866 1.400 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000352762839 149154789 /nfs/dbraw/zinc/15/47/89/149154789.db2.gz YKYXXTIHNYALGU-IAGOWNOFSA-N 2 2 331.460 1.206 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000352762839 149154791 /nfs/dbraw/zinc/15/47/91/149154791.db2.gz YKYXXTIHNYALGU-IAGOWNOFSA-N 2 2 331.460 1.206 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3CSC[C@@H]3C)CC2)c1 ZINC000352798756 149170839 /nfs/dbraw/zinc/17/08/39/149170839.db2.gz XLILEAUKNKFRSA-FUHWJXTLSA-N 2 2 347.528 1.980 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000353280715 149350804 /nfs/dbraw/zinc/35/08/04/149350804.db2.gz FHMYLKORYNMSGS-HZPDHXFCSA-N 2 2 331.464 1.624 20 0 EDADLP COc1cc(OC)c(C[N@H+](C)C2CC[NH+](CCO)CC2)c(OC)c1 ZINC000353352115 149376733 /nfs/dbraw/zinc/37/67/33/149376733.db2.gz LGAWKTXGFCYGCO-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP COc1cc(OC)c(C[N@@H+](C)C2CC[NH+](CCO)CC2)c(OC)c1 ZINC000353352115 149376735 /nfs/dbraw/zinc/37/67/35/149376735.db2.gz LGAWKTXGFCYGCO-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000416971215 304357756 /nfs/dbraw/zinc/35/77/56/304357756.db2.gz CJHSZYGZPVQWJM-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2cocn2)cc[nH+]1 ZINC000354925159 150035631 /nfs/dbraw/zinc/03/56/31/150035631.db2.gz PLUGLLJQNMRAFK-OCCSQVGLSA-N 2 2 334.399 1.579 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2cocn2)cc[nH+]1 ZINC000354925159 150035634 /nfs/dbraw/zinc/03/56/34/150035634.db2.gz PLUGLLJQNMRAFK-OCCSQVGLSA-N 2 2 334.399 1.579 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000355048375 150090903 /nfs/dbraw/zinc/09/09/03/150090903.db2.gz KMGPGQTVDIWQRQ-MRXNPFEDSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000355048375 150090906 /nfs/dbraw/zinc/09/09/06/150090906.db2.gz KMGPGQTVDIWQRQ-MRXNPFEDSA-N 2 2 331.460 1.733 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000355079654 150107181 /nfs/dbraw/zinc/10/71/81/150107181.db2.gz CZCDJPJQBRVZDS-IUODEOHRSA-N 2 2 331.420 1.448 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)c2cc(C[NH+](C)C)on2)C[C@@H](C)O1 ZINC000355757238 150388448 /nfs/dbraw/zinc/38/84/48/150388448.db2.gz JSLXUBQDBBUGPA-ZIAGYGMSSA-N 2 2 338.452 1.355 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)C1CC[NH+](CC(F)F)CC1 ZINC000357383278 151013600 /nfs/dbraw/zinc/01/36/00/151013600.db2.gz XUXXARVFZUPAAA-UHFFFAOYSA-N 2 2 329.435 1.954 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721884 151125292 /nfs/dbraw/zinc/12/52/92/151125292.db2.gz OSZQWUCMPMHYMC-BZUAXINKSA-N 2 2 325.497 1.553 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721884 151125293 /nfs/dbraw/zinc/12/52/93/151125293.db2.gz OSZQWUCMPMHYMC-BZUAXINKSA-N 2 2 325.497 1.553 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2ccon2)cc[nH+]1 ZINC000357886029 151184440 /nfs/dbraw/zinc/18/44/40/151184440.db2.gz TUFKGHHZTFWVTL-TZMCWYRMSA-N 2 2 334.399 1.579 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)Cc2ccon2)cc[nH+]1 ZINC000357886029 151184441 /nfs/dbraw/zinc/18/44/41/151184441.db2.gz TUFKGHHZTFWVTL-TZMCWYRMSA-N 2 2 334.399 1.579 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000370046805 155300632 /nfs/dbraw/zinc/30/06/32/155300632.db2.gz TXXOTMTVADNLIG-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000370046805 155300638 /nfs/dbraw/zinc/30/06/38/155300638.db2.gz TXXOTMTVADNLIG-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP Cc1cnc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)o1 ZINC000357963209 151213032 /nfs/dbraw/zinc/21/30/32/151213032.db2.gz HTLJLWYSFYPJDC-KGLIPLIRSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1cnc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)o1 ZINC000357963209 151213036 /nfs/dbraw/zinc/21/30/36/151213036.db2.gz HTLJLWYSFYPJDC-KGLIPLIRSA-N 2 2 348.426 1.888 20 0 EDADLP C[C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000358084466 151264399 /nfs/dbraw/zinc/26/43/99/151264399.db2.gz WNMKJFRAZWLFHF-CQSZACIVSA-N 2 2 345.491 1.538 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000358117034 151276632 /nfs/dbraw/zinc/27/66/32/151276632.db2.gz KNXWTWUSSLZCFO-UHFFFAOYSA-N 2 2 337.468 1.453 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000358128858 151281931 /nfs/dbraw/zinc/28/19/31/151281931.db2.gz QSPRTAGMWSXHGW-MRXNPFEDSA-N 2 2 330.436 1.170 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000358128858 151281934 /nfs/dbraw/zinc/28/19/34/151281934.db2.gz QSPRTAGMWSXHGW-MRXNPFEDSA-N 2 2 330.436 1.170 20 0 EDADLP CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358147539 151287682 /nfs/dbraw/zinc/28/76/82/151287682.db2.gz FDHSFDLDWKZHIT-KZNAEPCWSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000417075604 304370480 /nfs/dbraw/zinc/37/04/80/304370480.db2.gz VMJSACPWNDMYSG-HNNXBMFYSA-N 2 2 340.418 1.792 20 0 EDADLP CN(CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000360778021 152201125 /nfs/dbraw/zinc/20/11/25/152201125.db2.gz SFUSIWGSOUCIGQ-SFHVURJKSA-N 2 2 330.476 1.537 20 0 EDADLP CN(CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000360778021 152201127 /nfs/dbraw/zinc/20/11/27/152201127.db2.gz SFUSIWGSOUCIGQ-SFHVURJKSA-N 2 2 330.476 1.537 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCCS3)C2)CC1 ZINC000360912327 152248951 /nfs/dbraw/zinc/24/89/51/152248951.db2.gz KHQSKTOXBFUUQS-DZGCQCFKSA-N 2 2 326.510 1.350 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCCS3)C2)CC1 ZINC000360912327 152248952 /nfs/dbraw/zinc/24/89/52/152248952.db2.gz KHQSKTOXBFUUQS-DZGCQCFKSA-N 2 2 326.510 1.350 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000360953862 152262308 /nfs/dbraw/zinc/26/23/08/152262308.db2.gz JNQRKPVWJQJKRF-IRXDYDNUSA-N 3 2 325.497 1.866 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)n(C)c1C ZINC000360972444 152267285 /nfs/dbraw/zinc/26/72/85/152267285.db2.gz AELKTIWLIAGXBN-MRXNPFEDSA-N 2 2 337.464 1.303 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000361040763 152286963 /nfs/dbraw/zinc/28/69/63/152286963.db2.gz QIJPTHXBCJVGET-CXAGYDPISA-N 2 2 334.439 1.630 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000361040763 152286966 /nfs/dbraw/zinc/28/69/66/152286966.db2.gz QIJPTHXBCJVGET-CXAGYDPISA-N 2 2 334.439 1.630 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)CC[N@@H+]1C ZINC000361115877 152309675 /nfs/dbraw/zinc/30/96/75/152309675.db2.gz YSKWOJMKXFQLHW-WMLDXEAASA-N 2 2 345.491 1.356 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)CC[N@H+]1C ZINC000361115877 152309677 /nfs/dbraw/zinc/30/96/77/152309677.db2.gz YSKWOJMKXFQLHW-WMLDXEAASA-N 2 2 345.491 1.356 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)C(=O)N2CCCC2)CC1 ZINC000361117405 152310411 /nfs/dbraw/zinc/31/04/11/152310411.db2.gz JPWIHWRNSRIVRM-CQSZACIVSA-N 2 2 325.453 1.005 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCCC2)CC1 ZINC000361117404 152310546 /nfs/dbraw/zinc/31/05/46/152310546.db2.gz JPWIHWRNSRIVRM-AWEZNQCLSA-N 2 2 325.453 1.005 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370160999 155356310 /nfs/dbraw/zinc/35/63/10/155356310.db2.gz KJDZUTQOZDEWEW-CABCVRRESA-N 3 2 333.480 1.501 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000363604572 153010761 /nfs/dbraw/zinc/01/07/61/153010761.db2.gz RDMSTTPGNKUMLG-INIZCTEOSA-N 2 2 342.447 1.751 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000363604572 153010763 /nfs/dbraw/zinc/01/07/63/153010763.db2.gz RDMSTTPGNKUMLG-INIZCTEOSA-N 2 2 342.447 1.751 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000363707387 153035643 /nfs/dbraw/zinc/03/56/43/153035643.db2.gz QIVCYQIRILQUKE-FVQBIDKESA-N 2 2 333.480 1.672 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000363707387 153035645 /nfs/dbraw/zinc/03/56/45/153035645.db2.gz QIVCYQIRILQUKE-FVQBIDKESA-N 2 2 333.480 1.672 20 0 EDADLP Cc1ccc(F)c(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363765060 153049701 /nfs/dbraw/zinc/04/97/01/153049701.db2.gz YHTJFIBWNDFLDZ-OAHLLOKOSA-N 2 2 349.450 1.798 20 0 EDADLP Cc1ccc(F)c(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363765060 153049707 /nfs/dbraw/zinc/04/97/07/153049707.db2.gz YHTJFIBWNDFLDZ-OAHLLOKOSA-N 2 2 349.450 1.798 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363921376 153096666 /nfs/dbraw/zinc/09/66/66/153096666.db2.gz NPMSKCHBFAOBLQ-QGZVFWFLSA-N 2 2 326.400 1.419 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCN(C)CC1 ZINC000364232251 153181408 /nfs/dbraw/zinc/18/14/08/153181408.db2.gz XDTGMIVRAFSPKF-INIZCTEOSA-N 2 2 345.491 1.145 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000364247756 153185950 /nfs/dbraw/zinc/18/59/50/153185950.db2.gz JHSUUTZOWIRURI-UXLLHSPISA-N 2 2 346.475 1.844 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364540063 153264228 /nfs/dbraw/zinc/26/42/28/153264228.db2.gz BOACCZXGPGNGFU-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364540063 153264229 /nfs/dbraw/zinc/26/42/29/153264229.db2.gz BOACCZXGPGNGFU-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3nnnn3C3CC3)C2)nc(C)[nH+]1 ZINC000364577575 153277135 /nfs/dbraw/zinc/27/71/35/153277135.db2.gz MKADTKCCJIJHEY-GXTWGEPZSA-N 2 2 342.451 1.734 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364581528 153278353 /nfs/dbraw/zinc/27/83/53/153278353.db2.gz GFNDUQWLRILCNO-HKUYNNGSSA-N 2 2 329.444 1.135 20 0 EDADLP C[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)Cc1ccc(F)cc1 ZINC000364956139 153382121 /nfs/dbraw/zinc/38/21/21/153382121.db2.gz RXUNTNVFHXMLCT-HNNXBMFYSA-N 2 2 330.407 1.833 20 0 EDADLP C[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)Cc1ccc(F)cc1 ZINC000364956139 153382124 /nfs/dbraw/zinc/38/21/24/153382124.db2.gz RXUNTNVFHXMLCT-HNNXBMFYSA-N 2 2 330.407 1.833 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000367411464 154110094 /nfs/dbraw/zinc/11/00/94/154110094.db2.gz ZTBBJDYFPFEYQG-UHFFFAOYSA-N 2 2 327.432 1.834 20 0 EDADLP c1ncn([C@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000367540591 154167153 /nfs/dbraw/zinc/16/71/53/154167153.db2.gz NYRLMFTYYYTEET-IBGZPJMESA-N 2 2 340.475 1.737 20 0 EDADLP c1ncn([C@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000367540591 154167160 /nfs/dbraw/zinc/16/71/60/154167160.db2.gz NYRLMFTYYYTEET-IBGZPJMESA-N 2 2 340.475 1.737 20 0 EDADLP COCCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367541163 154168239 /nfs/dbraw/zinc/16/82/39/154168239.db2.gz FIFHNCAYTKBODL-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP COCCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367541163 154168243 /nfs/dbraw/zinc/16/82/43/154168243.db2.gz FIFHNCAYTKBODL-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1CC(=O)NCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000367554212 154173861 /nfs/dbraw/zinc/17/38/61/154173861.db2.gz SESHKSKYMJRTHO-QGZVFWFLSA-N 2 2 330.476 1.409 20 0 EDADLP C[C@@H]1CC(=O)NCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000367554212 154173865 /nfs/dbraw/zinc/17/38/65/154173865.db2.gz SESHKSKYMJRTHO-QGZVFWFLSA-N 2 2 330.476 1.409 20 0 EDADLP C[NH2+][C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cnn(C)c1 ZINC000367651667 154213978 /nfs/dbraw/zinc/21/39/78/154213978.db2.gz VDSXPTNZKMVYOQ-MRXNPFEDSA-N 2 2 342.378 1.322 20 0 EDADLP Oc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CCC2 ZINC000367855853 154300702 /nfs/dbraw/zinc/30/07/02/154300702.db2.gz ABZVEUULVZMNJF-XLIONFOSSA-N 2 2 345.487 1.766 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000368069003 154395232 /nfs/dbraw/zinc/39/52/32/154395232.db2.gz LGLGFOUQPBKJNQ-ZBFHGGJFSA-N 2 2 343.431 1.909 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@H](C)C1)C2 ZINC000369580102 155098027 /nfs/dbraw/zinc/09/80/27/155098027.db2.gz PYGZKTRJIFVONI-RBSFLKMASA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@H](C)C1)CC2 ZINC000369580102 155098031 /nfs/dbraw/zinc/09/80/31/155098031.db2.gz PYGZKTRJIFVONI-RBSFLKMASA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)[NH+](CCO)[C@@H](C)C1)C2 ZINC000369580103 155098066 /nfs/dbraw/zinc/09/80/66/155098066.db2.gz PYGZKTRJIFVONI-SOUVJXGZSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[NH+](CCO)[C@@H](C)C1)CC2 ZINC000369580103 155098068 /nfs/dbraw/zinc/09/80/68/155098068.db2.gz PYGZKTRJIFVONI-SOUVJXGZSA-N 2 2 348.491 1.552 20 0 EDADLP c1ccc2c(c1)C=C(C[NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CO2 ZINC000371663426 156050578 /nfs/dbraw/zinc/05/05/78/156050578.db2.gz ILTKCDSBFGZSFT-LJQANCHMSA-N 2 2 343.471 1.459 20 0 EDADLP CC[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000371895812 156157410 /nfs/dbraw/zinc/15/74/10/156157410.db2.gz IOOVMBLDDJIYOI-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000371895812 156157413 /nfs/dbraw/zinc/15/74/13/156157413.db2.gz IOOVMBLDDJIYOI-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000371895812 156157414 /nfs/dbraw/zinc/15/74/14/156157414.db2.gz IOOVMBLDDJIYOI-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000371895812 156157417 /nfs/dbraw/zinc/15/74/17/156157417.db2.gz IOOVMBLDDJIYOI-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP CCOc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000372415865 156379412 /nfs/dbraw/zinc/37/94/12/156379412.db2.gz KRXHKYOQAFKCEI-PXNSSMCTSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000372415865 156379413 /nfs/dbraw/zinc/37/94/13/156379413.db2.gz KRXHKYOQAFKCEI-PXNSSMCTSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000372415865 156379415 /nfs/dbraw/zinc/37/94/15/156379415.db2.gz KRXHKYOQAFKCEI-PXNSSMCTSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000372415865 156379416 /nfs/dbraw/zinc/37/94/16/156379416.db2.gz KRXHKYOQAFKCEI-PXNSSMCTSA-N 2 2 347.503 1.922 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000373845477 157029334 /nfs/dbraw/zinc/02/93/34/157029334.db2.gz ORDJHBFMUQGMGA-BZUAXINKSA-N 2 2 344.521 1.433 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000373845477 157029336 /nfs/dbraw/zinc/02/93/36/157029336.db2.gz ORDJHBFMUQGMGA-BZUAXINKSA-N 2 2 344.521 1.433 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000373940651 157073922 /nfs/dbraw/zinc/07/39/22/157073922.db2.gz WDRKANVHRCNYSV-UHFFFAOYSA-N 2 2 333.480 1.889 20 0 EDADLP Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374231081 157205691 /nfs/dbraw/zinc/20/56/91/157205691.db2.gz OQWLWXFQAKDSOG-GOEBONIOSA-N 2 2 345.491 1.125 20 0 EDADLP Cn1cc2c(n1)CCC[C@H]2C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374231081 157205694 /nfs/dbraw/zinc/20/56/94/157205694.db2.gz OQWLWXFQAKDSOG-GOEBONIOSA-N 2 2 345.491 1.125 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000374340638 157252113 /nfs/dbraw/zinc/25/21/13/157252113.db2.gz KWVMKTZSPFJDHW-KRWDZBQOSA-N 2 2 338.411 1.871 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000374340638 157252116 /nfs/dbraw/zinc/25/21/16/157252116.db2.gz KWVMKTZSPFJDHW-KRWDZBQOSA-N 2 2 338.411 1.871 20 0 EDADLP Cc1ccc(C)c(OCC[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000374737143 157382522 /nfs/dbraw/zinc/38/25/22/157382522.db2.gz SNFOYVOLGPXHJL-UHFFFAOYSA-N 2 2 345.487 1.921 20 0 EDADLP Cc1ccc(C)c(OCC[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000374737143 157382531 /nfs/dbraw/zinc/38/25/31/157382531.db2.gz SNFOYVOLGPXHJL-UHFFFAOYSA-N 2 2 345.487 1.921 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)NCC(F)(F)F)[nH+]1 ZINC000377723855 157978383 /nfs/dbraw/zinc/97/83/83/157978383.db2.gz SWRNUWQKKIPCMS-GFCCVEGCSA-N 2 2 330.354 1.945 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NCC(F)(F)F)[nH+]1 ZINC000377723855 157978385 /nfs/dbraw/zinc/97/83/85/157978385.db2.gz SWRNUWQKKIPCMS-GFCCVEGCSA-N 2 2 330.354 1.945 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1C ZINC000377929682 158031558 /nfs/dbraw/zinc/03/15/58/158031558.db2.gz WJKVOOLCQSHNNW-INIZCTEOSA-N 2 2 325.432 1.315 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)n1C ZINC000377929682 158031561 /nfs/dbraw/zinc/03/15/61/158031561.db2.gz WJKVOOLCQSHNNW-INIZCTEOSA-N 2 2 325.432 1.315 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378334996 158144626 /nfs/dbraw/zinc/14/46/26/158144626.db2.gz OPDWZWNFECRHMX-INIZCTEOSA-N 2 2 342.447 1.945 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000378439546 158173693 /nfs/dbraw/zinc/17/36/93/158173693.db2.gz REFHLRLFKJANTH-SFHVURJKSA-N 2 2 333.476 1.817 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000378439546 158173695 /nfs/dbraw/zinc/17/36/95/158173695.db2.gz REFHLRLFKJANTH-SFHVURJKSA-N 2 2 333.476 1.817 20 0 EDADLP CCn1cc(NC(=O)C2CC[NH+](CCCn3cc[nH+]c3)CC2)cn1 ZINC000378443742 158174947 /nfs/dbraw/zinc/17/49/47/158174947.db2.gz JRDSJWXYOAVMHI-UHFFFAOYSA-N 2 2 330.436 1.840 20 0 EDADLP CC(C)Cn1ncnc1C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378505232 158193750 /nfs/dbraw/zinc/19/37/50/158193750.db2.gz BUHKHVYRAILWIU-UHFFFAOYSA-N 2 2 335.496 1.868 20 0 EDADLP CC(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364231527 162322477 /nfs/dbraw/zinc/32/24/77/162322477.db2.gz MNZWWSFBXJQEID-QGZVFWFLSA-N 2 2 329.444 1.788 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000364633650 162340268 /nfs/dbraw/zinc/34/02/68/162340268.db2.gz XSPQDGCQSKVCEI-AWEZNQCLSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)CC2 ZINC000364633650 162340273 /nfs/dbraw/zinc/34/02/73/162340273.db2.gz XSPQDGCQSKVCEI-AWEZNQCLSA-N 2 2 348.491 1.553 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366569512 162395856 /nfs/dbraw/zinc/39/58/56/162395856.db2.gz OHADIGPDOIIATA-INIZCTEOSA-N 2 2 326.485 1.223 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366569512 162395863 /nfs/dbraw/zinc/39/58/63/162395863.db2.gz OHADIGPDOIIATA-INIZCTEOSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1cc(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000119389400 287352360 /nfs/dbraw/zinc/35/23/60/287352360.db2.gz RZKYALUKSGRGOP-UHFFFAOYSA-N 2 2 331.420 1.162 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000124219684 222392858 /nfs/dbraw/zinc/39/28/58/222392858.db2.gz NCAQPFAJWCMNMF-OAGGEKHMSA-N 2 2 331.464 1.832 20 0 EDADLP COc1ccc([C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000130345241 287490902 /nfs/dbraw/zinc/49/09/02/287490902.db2.gz ATAMSWPLJOFJJI-SUMWQHHRSA-N 2 2 328.416 1.634 20 0 EDADLP [NH3+]C1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000237935494 267933634 /nfs/dbraw/zinc/93/36/34/267933634.db2.gz KKDADHFNHNBJJM-MRXNPFEDSA-N 2 2 345.443 1.544 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000274711936 268189096 /nfs/dbraw/zinc/18/90/96/268189096.db2.gz USUHLPJGHHISKY-AWEZNQCLSA-N 2 2 334.464 1.701 20 0 EDADLP COc1cccc2c(N3CCN(C(=O)C[NH+](C)C)CC3)cc[nH+]c12 ZINC000275418873 268339611 /nfs/dbraw/zinc/33/96/11/268339611.db2.gz BUHXWIIRARGWCL-UHFFFAOYSA-N 2 2 328.416 1.454 20 0 EDADLP Cc1[nH]nc(C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)c1C ZINC000275529915 268356041 /nfs/dbraw/zinc/35/60/41/268356041.db2.gz CTILBEFCXFQLSI-AWEZNQCLSA-N 2 2 342.447 1.545 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C=Cc3c[nH]c[nH+]3)c2)CCO1 ZINC000276596843 268449577 /nfs/dbraw/zinc/44/95/77/268449577.db2.gz NWTMTVCNTXDOAL-LLYBFZRZSA-N 2 2 340.427 1.960 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C=Cc3c[nH]c[nH+]3)c2)CCO1 ZINC000276596843 268449578 /nfs/dbraw/zinc/44/95/78/268449578.db2.gz NWTMTVCNTXDOAL-LLYBFZRZSA-N 2 2 340.427 1.960 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000273179545 273032586 /nfs/dbraw/zinc/03/25/86/273032586.db2.gz GHLGAKZPSGKEGP-LJQANCHMSA-N 2 2 345.487 1.908 20 0 EDADLP CCOCCOC1C[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000273586319 273046791 /nfs/dbraw/zinc/04/67/91/273046791.db2.gz HVTFFCFVFPBTQM-INIZCTEOSA-N 2 2 347.459 1.751 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275619823 273114208 /nfs/dbraw/zinc/11/42/08/273114208.db2.gz MPXQFVQZIFCCEW-ZDUSSCGKSA-N 2 2 328.420 1.478 20 0 EDADLP Cc1ncc(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000275689201 273120126 /nfs/dbraw/zinc/12/01/26/273120126.db2.gz MSBSKNZWIODCEY-CQSZACIVSA-N 2 2 345.472 1.970 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1ccncc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275761825 273126030 /nfs/dbraw/zinc/12/60/30/273126030.db2.gz RPTVDHMUWZUYJL-OAHLLOKOSA-N 2 2 325.416 1.600 20 0 EDADLP COC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]CC1 ZINC000164385840 272931862 /nfs/dbraw/zinc/93/18/62/272931862.db2.gz NDFWTWPBTKBHGA-UHFFFAOYSA-N 2 2 342.443 1.359 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)ccc2[nH+]1 ZINC000276118495 273150087 /nfs/dbraw/zinc/15/00/87/273150087.db2.gz OXDROQAIBYEFGZ-CYBMUJFWSA-N 2 2 341.415 1.348 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)ccc2[nH+]1 ZINC000276118495 273150089 /nfs/dbraw/zinc/15/00/89/273150089.db2.gz OXDROQAIBYEFGZ-CYBMUJFWSA-N 2 2 341.415 1.348 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276140026 273151992 /nfs/dbraw/zinc/15/19/92/273151992.db2.gz YXKMXSDGFJWSQI-LSDHHAIUSA-N 2 2 333.480 1.676 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276140026 273151994 /nfs/dbraw/zinc/15/19/94/273151994.db2.gz YXKMXSDGFJWSQI-LSDHHAIUSA-N 2 2 333.480 1.676 20 0 EDADLP CS[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1[NH+](C)C ZINC000277765643 273225021 /nfs/dbraw/zinc/22/50/21/273225021.db2.gz KVRJVKIWAJWEDS-OLZOCXBDSA-N 2 2 339.534 1.512 20 0 EDADLP Cc1n[nH]c(C)c1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279545531 273305912 /nfs/dbraw/zinc/30/59/12/273305912.db2.gz ADBRNQRCNAJLIG-GJZGRUSLSA-N 2 2 334.443 1.804 20 0 EDADLP Cc1n[nH]c(C)c1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279545531 273305913 /nfs/dbraw/zinc/30/59/13/273305913.db2.gz ADBRNQRCNAJLIG-GJZGRUSLSA-N 2 2 334.443 1.804 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279687775 273318522 /nfs/dbraw/zinc/31/85/22/273318522.db2.gz HWMDIUWODFKRMP-INIZCTEOSA-N 2 2 330.432 1.161 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279687775 273318524 /nfs/dbraw/zinc/31/85/24/273318524.db2.gz HWMDIUWODFKRMP-INIZCTEOSA-N 2 2 330.432 1.161 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)oc1C ZINC000282297074 273624630 /nfs/dbraw/zinc/62/46/30/273624630.db2.gz SJPACQXYWZSZFT-GDBMZVCRSA-N 2 2 335.448 1.480 20 0 EDADLP O=C1CC[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C2(CCC2)N1 ZINC000282650235 273694615 /nfs/dbraw/zinc/69/46/15/273694615.db2.gz MHIYJROJMBGIAV-AWEZNQCLSA-N 2 2 349.398 1.824 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000283919485 274010996 /nfs/dbraw/zinc/01/09/96/274010996.db2.gz KCRUFORPZVPBPL-LSDHHAIUSA-N 2 2 347.463 1.454 20 0 EDADLP CN(CC[NH+]1CCOCC1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284186572 274109827 /nfs/dbraw/zinc/10/98/27/274109827.db2.gz RQEMGIWJVRTKRU-FQEVSTJZSA-N 2 2 347.503 1.542 20 0 EDADLP CN(CC[NH+]1CCOCC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284186572 274109829 /nfs/dbraw/zinc/10/98/29/274109829.db2.gz RQEMGIWJVRTKRU-FQEVSTJZSA-N 2 2 347.503 1.542 20 0 EDADLP CNC(=O)C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284266229 274138981 /nfs/dbraw/zinc/13/89/81/274138981.db2.gz XEALZWAXOHMFSF-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284266229 274138983 /nfs/dbraw/zinc/13/89/83/274138983.db2.gz XEALZWAXOHMFSF-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP NC(=O)N[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284282353 274145573 /nfs/dbraw/zinc/14/55/73/274145573.db2.gz YAAYNRALEQVTLW-SJORKVTESA-N 2 2 332.448 1.020 20 0 EDADLP NC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284282353 274145575 /nfs/dbraw/zinc/14/55/75/274145575.db2.gz YAAYNRALEQVTLW-SJORKVTESA-N 2 2 332.448 1.020 20 0 EDADLP NC(=O)N[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284282353 274145576 /nfs/dbraw/zinc/14/55/76/274145576.db2.gz YAAYNRALEQVTLW-SJORKVTESA-N 2 2 332.448 1.020 20 0 EDADLP NC(=O)N[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284282353 274145578 /nfs/dbraw/zinc/14/55/78/274145578.db2.gz YAAYNRALEQVTLW-SJORKVTESA-N 2 2 332.448 1.020 20 0 EDADLP C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284354553 274172458 /nfs/dbraw/zinc/17/24/58/274172458.db2.gz DBYRVCVDJBEKBN-RYQLBKOJSA-N 2 2 331.460 1.534 20 0 EDADLP C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284354553 274172461 /nfs/dbraw/zinc/17/24/61/274172461.db2.gz DBYRVCVDJBEKBN-RYQLBKOJSA-N 2 2 331.460 1.534 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000664006589 452707999 /nfs/dbraw/zinc/70/79/99/452707999.db2.gz JBDCCPOLMJTSIW-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP c1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000363987078 275064444 /nfs/dbraw/zinc/06/44/44/275064444.db2.gz PJLPFHUXKBIYJV-MRXNPFEDSA-N 2 2 331.464 1.768 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)S1 ZINC000377897786 275852246 /nfs/dbraw/zinc/85/22/46/275852246.db2.gz BRPAHUDNYJAJOP-UHFFFAOYSA-N 2 2 336.505 1.640 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000248796855 276190874 /nfs/dbraw/zinc/19/08/74/276190874.db2.gz YTOXXBWGQBCPKS-JXFKEZNVSA-N 2 2 343.471 1.670 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000248796855 276190875 /nfs/dbraw/zinc/19/08/75/276190875.db2.gz YTOXXBWGQBCPKS-JXFKEZNVSA-N 2 2 343.471 1.670 20 0 EDADLP C[NH+]1CCN(CCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187710302 277105310 /nfs/dbraw/zinc/10/53/10/277105310.db2.gz QVRAESTTWXLINS-KRWDZBQOSA-N 2 2 331.439 1.865 20 0 EDADLP CO[C@@]1(C)CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000366318270 277318445 /nfs/dbraw/zinc/31/84/45/277318445.db2.gz ZJOHPOMRERRXME-QAPCUYQASA-N 2 2 338.496 1.365 20 0 EDADLP CO[C@@]1(C)CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000366318270 277318447 /nfs/dbraw/zinc/31/84/47/277318447.db2.gz ZJOHPOMRERRXME-QAPCUYQASA-N 2 2 338.496 1.365 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc2C1 ZINC000371493818 278055892 /nfs/dbraw/zinc/05/58/92/278055892.db2.gz UNUBKXMXOBZLQK-QUCCMNQESA-N 2 2 345.487 1.916 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000356804319 278100251 /nfs/dbraw/zinc/10/02/51/278100251.db2.gz KUFRBAMUFFYNJF-ZIFCJYIRSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000356804319 278100252 /nfs/dbraw/zinc/10/02/52/278100252.db2.gz KUFRBAMUFFYNJF-ZIFCJYIRSA-N 2 2 349.519 1.963 20 0 EDADLP CC(C)c1nnc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1C ZINC000337922235 278101953 /nfs/dbraw/zinc/10/19/53/278101953.db2.gz FBXSAZREZYBLHO-UHFFFAOYSA-N 2 2 334.512 1.933 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000362480837 278115194 /nfs/dbraw/zinc/11/51/94/278115194.db2.gz APMVDCJLJQKDFI-LSDHHAIUSA-N 2 2 325.478 1.707 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000286625289 288048452 /nfs/dbraw/zinc/04/84/52/288048452.db2.gz ZEOJHSRRTSPGAF-CABCVRRESA-N 2 2 349.479 1.413 20 0 EDADLP CCNc1nc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000286650196 288054187 /nfs/dbraw/zinc/05/41/87/288054187.db2.gz CHPCBLIWIGJEGZ-ZDUSSCGKSA-N 2 2 331.468 1.964 20 0 EDADLP CC1CC[NH+]([C@H](CNC(=O)[C@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000236661588 278551289 /nfs/dbraw/zinc/55/12/89/278551289.db2.gz XPFAGLXFAKNVOD-QZTJIDSGSA-N 2 2 331.460 1.564 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCn3cc[nH+]c32)C[C@H](C)O1 ZINC000080505909 288067200 /nfs/dbraw/zinc/06/72/00/288067200.db2.gz HYCWSGPQILZHDG-QLFBSQMISA-N 2 2 334.464 1.765 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCn3cc[nH+]c32)C[C@H](C)O1 ZINC000080505909 288067205 /nfs/dbraw/zinc/06/72/05/288067205.db2.gz HYCWSGPQILZHDG-QLFBSQMISA-N 2 2 334.464 1.765 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000245382628 278768949 /nfs/dbraw/zinc/76/89/49/278768949.db2.gz KLIGETVLIUVQDE-BZUAXINKSA-N 2 2 335.452 1.166 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000341001375 288096340 /nfs/dbraw/zinc/09/63/40/288096340.db2.gz YOYJVSBITGOFIH-KFWWJZLASA-N 2 2 337.489 1.435 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000341001375 288096343 /nfs/dbraw/zinc/09/63/43/288096343.db2.gz YOYJVSBITGOFIH-KFWWJZLASA-N 2 2 337.489 1.435 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496973255 279033719 /nfs/dbraw/zinc/03/37/19/279033719.db2.gz JFXAYEDORXXWMU-ARFHVFGLSA-N 2 2 341.496 1.630 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496973255 279033721 /nfs/dbraw/zinc/03/37/21/279033721.db2.gz JFXAYEDORXXWMU-ARFHVFGLSA-N 2 2 341.496 1.630 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496973255 279033722 /nfs/dbraw/zinc/03/37/22/279033722.db2.gz JFXAYEDORXXWMU-ARFHVFGLSA-N 2 2 341.496 1.630 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496973255 279033725 /nfs/dbraw/zinc/03/37/25/279033725.db2.gz JFXAYEDORXXWMU-ARFHVFGLSA-N 2 2 341.496 1.630 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000356804318 279116838 /nfs/dbraw/zinc/11/68/38/279116838.db2.gz KUFRBAMUFFYNJF-ZHALLVOQSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000356804318 279116839 /nfs/dbraw/zinc/11/68/39/279116839.db2.gz KUFRBAMUFFYNJF-ZHALLVOQSA-N 2 2 349.519 1.963 20 0 EDADLP CC(C)N(C(=O)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000362719393 279274102 /nfs/dbraw/zinc/27/41/02/279274102.db2.gz JQFDDFJLTCOGBL-SFHVURJKSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)N(C(=O)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000362719393 279274104 /nfs/dbraw/zinc/27/41/04/279274104.db2.gz JQFDDFJLTCOGBL-SFHVURJKSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)N(C(=O)CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000362719393 279274107 /nfs/dbraw/zinc/27/41/07/279274107.db2.gz JQFDDFJLTCOGBL-SFHVURJKSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)N(C(=O)CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000362719393 279274109 /nfs/dbraw/zinc/27/41/09/279274109.db2.gz JQFDDFJLTCOGBL-SFHVURJKSA-N 2 2 338.540 1.732 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000287080760 288151701 /nfs/dbraw/zinc/15/17/01/288151701.db2.gz KOWZZDYILMSWRL-DOTOQJQBSA-N 2 2 327.432 1.845 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000287080760 288151703 /nfs/dbraw/zinc/15/17/03/288151703.db2.gz KOWZZDYILMSWRL-DOTOQJQBSA-N 2 2 327.432 1.845 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@](F)(CO)C3)c2cc1C ZINC000287107943 288157939 /nfs/dbraw/zinc/15/79/39/288157939.db2.gz WQOZVELZUDSXGO-CRAIPNDOSA-N 2 2 335.423 1.810 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@](F)(CO)C3)c2cc1C ZINC000287107943 288157941 /nfs/dbraw/zinc/15/79/41/288157941.db2.gz WQOZVELZUDSXGO-CRAIPNDOSA-N 2 2 335.423 1.810 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000287329284 288211313 /nfs/dbraw/zinc/21/13/13/288211313.db2.gz MJGSABSPSKDMIX-GOSISDBHSA-N 2 2 341.459 1.760 20 0 EDADLP CC[C@H]1CCCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172643229 281041651 /nfs/dbraw/zinc/04/16/51/281041651.db2.gz LHALNGQISZACFA-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CC[C@H]1CCCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172643229 281041652 /nfs/dbraw/zinc/04/16/52/281041652.db2.gz LHALNGQISZACFA-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000356091136 288347112 /nfs/dbraw/zinc/34/71/12/288347112.db2.gz MCQJHCIPDNFQGB-AEFFLSMTSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000356091136 288347113 /nfs/dbraw/zinc/34/71/13/288347113.db2.gz MCQJHCIPDNFQGB-AEFFLSMTSA-N 2 2 348.491 1.179 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](C2CC2)C(F)(F)F)CC1 ZINC000354637443 282050941 /nfs/dbraw/zinc/05/09/41/282050941.db2.gz TWEPEDZNEGWNHV-ZDUSSCGKSA-N 2 2 336.402 1.653 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000289882817 288796546 /nfs/dbraw/zinc/79/65/46/288796546.db2.gz MFKBAEXFPUDGFV-NVXWUHKLSA-N 2 2 331.460 1.728 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000178688353 289102548 /nfs/dbraw/zinc/10/25/48/289102548.db2.gz WDZXADVFXMSGHR-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000178688353 289102551 /nfs/dbraw/zinc/10/25/51/289102551.db2.gz WDZXADVFXMSGHR-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000292058050 289251895 /nfs/dbraw/zinc/25/18/95/289251895.db2.gz ZBUZLCOTCXQQEV-INIZCTEOSA-N 2 2 339.867 1.516 20 0 EDADLP Cc1cncc(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000292244361 289297922 /nfs/dbraw/zinc/29/79/22/289297922.db2.gz LTDBHFTVMUUMDA-UHFFFAOYSA-N 2 2 344.503 1.997 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292247439 289298328 /nfs/dbraw/zinc/29/83/28/289298328.db2.gz XIIWLCYXZZBDGZ-SCLBCKFNSA-N 2 2 348.422 1.890 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292247439 289298330 /nfs/dbraw/zinc/29/83/30/289298330.db2.gz XIIWLCYXZZBDGZ-SCLBCKFNSA-N 2 2 348.422 1.890 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292247439 289298333 /nfs/dbraw/zinc/29/83/33/289298333.db2.gz XIIWLCYXZZBDGZ-SCLBCKFNSA-N 2 2 348.422 1.890 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292247439 289298336 /nfs/dbraw/zinc/29/83/36/289298336.db2.gz XIIWLCYXZZBDGZ-SCLBCKFNSA-N 2 2 348.422 1.890 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC000371302712 289331803 /nfs/dbraw/zinc/33/18/03/289331803.db2.gz ZTHGYNRDOXWLKJ-IXDOHACOSA-N 2 2 335.492 1.475 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC000371302712 289331808 /nfs/dbraw/zinc/33/18/08/289331808.db2.gz ZTHGYNRDOXWLKJ-IXDOHACOSA-N 2 2 335.492 1.475 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000265852731 293479132 /nfs/dbraw/zinc/47/91/32/293479132.db2.gz JYMJNPZAIJFILG-UHFFFAOYSA-N 2 2 345.447 1.101 20 0 EDADLP CO[C@H](CC(C)C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000416188047 294354919 /nfs/dbraw/zinc/35/49/19/294354919.db2.gz HLYSLGGEOKYIBQ-DOTOQJQBSA-N 2 2 325.497 1.674 20 0 EDADLP CO[C@H](CC(C)C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000416188047 294354924 /nfs/dbraw/zinc/35/49/24/294354924.db2.gz HLYSLGGEOKYIBQ-DOTOQJQBSA-N 2 2 325.497 1.674 20 0 EDADLP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)CCCO2 ZINC000268897803 295274275 /nfs/dbraw/zinc/27/42/75/295274275.db2.gz KLUXHHOZJRPYIN-IAGOWNOFSA-N 2 2 347.459 1.838 20 0 EDADLP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)CCCO2 ZINC000268897803 295274277 /nfs/dbraw/zinc/27/42/77/295274277.db2.gz KLUXHHOZJRPYIN-IAGOWNOFSA-N 2 2 347.459 1.838 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C[N@@H+]1C1CC1 ZINC000332953041 297274327 /nfs/dbraw/zinc/27/43/27/297274327.db2.gz DOWFJSUJUBOHRK-IIAWOOMASA-N 2 2 346.479 1.043 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC000332953041 297274329 /nfs/dbraw/zinc/27/43/29/297274329.db2.gz DOWFJSUJUBOHRK-IIAWOOMASA-N 2 2 346.479 1.043 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000342699137 297534357 /nfs/dbraw/zinc/53/43/57/297534357.db2.gz VBCBJEKETHKELE-SZMVWBNQSA-N 2 2 331.460 1.564 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@](C)(O)C(C)C)CC2)CC1 ZINC000422015786 447308659 /nfs/dbraw/zinc/30/86/59/447308659.db2.gz HSBFNTBUODIJGM-GOSISDBHSA-N 2 2 325.497 1.412 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@](C)(O)C(C)C)CC2)CC1 ZINC000422015786 447308662 /nfs/dbraw/zinc/30/86/62/447308662.db2.gz HSBFNTBUODIJGM-GOSISDBHSA-N 2 2 325.497 1.412 20 0 EDADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCc2sccc2C1 ZINC000422713286 298779703 /nfs/dbraw/zinc/77/97/03/298779703.db2.gz JJQNWDABMWJJQB-QBIMZIAESA-N 2 2 335.517 1.851 20 0 EDADLP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccc1O ZINC000377718548 447314639 /nfs/dbraw/zinc/31/46/39/447314639.db2.gz PAGWKAIDJMWKIT-MQVJKMGUSA-N 2 2 347.459 1.574 20 0 EDADLP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)ccc1O ZINC000377718548 447314652 /nfs/dbraw/zinc/31/46/52/447314652.db2.gz PAGWKAIDJMWKIT-MQVJKMGUSA-N 2 2 347.459 1.574 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261679422 301791017 /nfs/dbraw/zinc/79/10/17/301791017.db2.gz GTLWAVWEMFAEDN-QRVBRYPASA-N 2 2 345.487 1.860 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422034536 447317646 /nfs/dbraw/zinc/31/76/46/447317646.db2.gz JLVSPUFBLLMEKK-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422034536 447317659 /nfs/dbraw/zinc/31/76/59/447317659.db2.gz JLVSPUFBLLMEKK-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422034536 447317667 /nfs/dbraw/zinc/31/76/67/447317667.db2.gz JLVSPUFBLLMEKK-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422034536 447317672 /nfs/dbraw/zinc/31/76/72/447317672.db2.gz JLVSPUFBLLMEKK-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP Cn1c[nH+]cc1[C@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344825132 303031408 /nfs/dbraw/zinc/03/14/08/303031408.db2.gz JUTLDYOXRFMBKJ-MAUKXSAKSA-N 3 2 331.464 1.298 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295032076 303165112 /nfs/dbraw/zinc/16/51/12/303165112.db2.gz DIEGJUHSVRRVNJ-WMLDXEAASA-N 2 2 337.439 1.979 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295032076 303165113 /nfs/dbraw/zinc/16/51/13/303165113.db2.gz DIEGJUHSVRRVNJ-WMLDXEAASA-N 2 2 337.439 1.979 20 0 EDADLP COc1nccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000295156094 303181656 /nfs/dbraw/zinc/18/16/56/303181656.db2.gz KCETWKCHLVWNEK-UHFFFAOYSA-N 3 2 342.447 1.182 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295909173 303282239 /nfs/dbraw/zinc/28/22/39/303282239.db2.gz IVDPEZBYYQEGGW-CABCVRRESA-N 2 2 334.464 1.856 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295909173 303282241 /nfs/dbraw/zinc/28/22/41/303282241.db2.gz IVDPEZBYYQEGGW-CABCVRRESA-N 2 2 334.464 1.856 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H](C)[N@H+]1C ZINC000296645335 303329231 /nfs/dbraw/zinc/32/92/31/303329231.db2.gz SHEGXMRXCABNFK-GASCZTMLSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H](C)[N@@H+]1C ZINC000296645335 303329232 /nfs/dbraw/zinc/32/92/32/303329232.db2.gz SHEGXMRXCABNFK-GASCZTMLSA-N 2 2 331.464 1.916 20 0 EDADLP CNC(=O)NC1C[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000297380892 303392169 /nfs/dbraw/zinc/39/21/69/303392169.db2.gz JJGALGFYMQKIPY-UHFFFAOYSA-N 2 2 345.491 1.330 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372876376 447332799 /nfs/dbraw/zinc/33/27/99/447332799.db2.gz HZOKISRICOGZGS-CQSZACIVSA-N 2 2 331.464 1.394 20 0 EDADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000237975944 303786931 /nfs/dbraw/zinc/78/69/31/303786931.db2.gz HYSZLKKUHYJLMV-CABCVRRESA-N 2 2 349.500 1.627 20 0 EDADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccc(F)c(F)c1 ZINC000423078280 304884375 /nfs/dbraw/zinc/88/43/75/304884375.db2.gz OALVCSYSICOJJR-VHSSKADRSA-N 2 2 340.414 1.472 20 0 EDADLP CC(C)([NH3+])C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423286485 304891241 /nfs/dbraw/zinc/89/12/41/304891241.db2.gz HPSIDZZYHPYCTK-LLVKDONJSA-N 2 2 347.278 1.995 20 0 EDADLP [NH3+]CC1(CC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000423310517 304892075 /nfs/dbraw/zinc/89/20/75/304892075.db2.gz NPTNMEAORKXDKC-UHFFFAOYSA-N 2 2 327.432 1.108 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493583029 447347059 /nfs/dbraw/zinc/34/70/59/447347059.db2.gz UKMZPTWPFYDQEU-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493583029 447347067 /nfs/dbraw/zinc/34/70/67/447347067.db2.gz UKMZPTWPFYDQEU-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)nnn1-c1ccc(Cl)cc1 ZINC000423401645 304894686 /nfs/dbraw/zinc/89/46/86/304894686.db2.gz GKTAJZDMJOQSLU-WBIUFABUSA-N 2 2 335.839 1.460 20 0 EDADLP C[NH2+]CCCC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423925538 304917711 /nfs/dbraw/zinc/91/77/11/304917711.db2.gz FZKJKVGJPPCMBK-OAHLLOKOSA-N 2 2 332.448 1.661 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427868298 304999584 /nfs/dbraw/zinc/99/95/84/304999584.db2.gz DFVPBGBTEMXPPX-RDJZCZTQSA-N 2 2 326.444 1.925 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000428035347 305004772 /nfs/dbraw/zinc/00/47/72/305004772.db2.gz FIDRCZPLIIFUQD-CZUORRHYSA-N 2 2 337.851 1.519 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000428035347 305004773 /nfs/dbraw/zinc/00/47/73/305004773.db2.gz FIDRCZPLIIFUQD-CZUORRHYSA-N 2 2 337.851 1.519 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000428038421 305004965 /nfs/dbraw/zinc/00/49/65/305004965.db2.gz NRGWEBSTVKDCFW-YTQUADARSA-N 2 2 345.487 1.954 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000428038421 305004966 /nfs/dbraw/zinc/00/49/66/305004966.db2.gz NRGWEBSTVKDCFW-YTQUADARSA-N 2 2 345.487 1.954 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(=O)[nH]n1 ZINC000428222591 305008475 /nfs/dbraw/zinc/00/84/75/305008475.db2.gz NKOVVKSTKNAMDF-CQSZACIVSA-N 2 2 328.416 1.865 20 0 EDADLP CSCCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428963196 305021003 /nfs/dbraw/zinc/02/10/03/305021003.db2.gz DFFFXDIAEAEGLY-HNNXBMFYSA-N 2 2 336.505 1.804 20 0 EDADLP CSCCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428963196 305021004 /nfs/dbraw/zinc/02/10/04/305021004.db2.gz DFFFXDIAEAEGLY-HNNXBMFYSA-N 2 2 336.505 1.804 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000429007700 305022313 /nfs/dbraw/zinc/02/23/13/305022313.db2.gz WENFPQCWXIABJI-HIFRSBDPSA-N 2 2 333.398 1.815 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000429007700 305022314 /nfs/dbraw/zinc/02/23/14/305022314.db2.gz WENFPQCWXIABJI-HIFRSBDPSA-N 2 2 333.398 1.815 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000429007700 305022315 /nfs/dbraw/zinc/02/23/15/305022315.db2.gz WENFPQCWXIABJI-HIFRSBDPSA-N 2 2 333.398 1.815 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000429007700 305022316 /nfs/dbraw/zinc/02/23/16/305022316.db2.gz WENFPQCWXIABJI-HIFRSBDPSA-N 2 2 333.398 1.815 20 0 EDADLP c1c[nH+]c(N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)CC2)[nH]1 ZINC000429326474 305029065 /nfs/dbraw/zinc/02/90/65/305029065.db2.gz IGYRBBAUJDTIKE-UHFFFAOYSA-N 2 2 346.398 1.865 20 0 EDADLP O=C(Cn1cc[nH+]c1)Nc1cc(F)cc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000429484769 305030635 /nfs/dbraw/zinc/03/06/35/305030635.db2.gz CGOBZPZMMLTVQW-UHFFFAOYSA-N 2 2 342.334 1.496 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000429548351 305031968 /nfs/dbraw/zinc/03/19/68/305031968.db2.gz MAKPFJFIYXTBBR-MRXNPFEDSA-N 2 2 337.439 1.737 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000429548351 305031969 /nfs/dbraw/zinc/03/19/69/305031969.db2.gz MAKPFJFIYXTBBR-MRXNPFEDSA-N 2 2 337.439 1.737 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612875 305058988 /nfs/dbraw/zinc/05/89/88/305058988.db2.gz UNJRGTGFENXTPF-LBPRGKRZSA-N 2 2 338.839 1.031 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430612875 305058989 /nfs/dbraw/zinc/05/89/89/305058989.db2.gz UNJRGTGFENXTPF-LBPRGKRZSA-N 2 2 338.839 1.031 20 0 EDADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000430622201 305059490 /nfs/dbraw/zinc/05/94/90/305059490.db2.gz FRJXJVHBXDQTQB-NSHDSACASA-N 2 2 341.839 1.980 20 0 EDADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000430622201 305059491 /nfs/dbraw/zinc/05/94/91/305059491.db2.gz FRJXJVHBXDQTQB-NSHDSACASA-N 2 2 341.839 1.980 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC([NH3+])CC1 ZINC000430620417 305059661 /nfs/dbraw/zinc/05/96/61/305059661.db2.gz HRXKFLWXSZSZQC-INIZCTEOSA-N 3 2 344.503 1.579 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000430634350 305060532 /nfs/dbraw/zinc/06/05/32/305060532.db2.gz BOTYCBWGUHFHOE-QAPCUYQASA-N 2 2 349.450 1.657 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000430634350 305060533 /nfs/dbraw/zinc/06/05/33/305060533.db2.gz BOTYCBWGUHFHOE-QAPCUYQASA-N 2 2 349.450 1.657 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000430888229 305067048 /nfs/dbraw/zinc/06/70/48/305067048.db2.gz ILPSVFZETLCZHQ-CYBMUJFWSA-N 2 2 342.321 1.770 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939436 305069417 /nfs/dbraw/zinc/06/94/17/305069417.db2.gz GGSSYRCNSNBRIR-CRAIPNDOSA-N 2 2 333.476 1.897 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430939436 305069418 /nfs/dbraw/zinc/06/94/18/305069418.db2.gz GGSSYRCNSNBRIR-CRAIPNDOSA-N 2 2 333.476 1.897 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000430948371 305070252 /nfs/dbraw/zinc/07/02/52/305070252.db2.gz IRQXSGOPXCLNPK-ONGXEEELSA-N 2 2 327.331 1.616 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000430948371 305070253 /nfs/dbraw/zinc/07/02/53/305070253.db2.gz IRQXSGOPXCLNPK-ONGXEEELSA-N 2 2 327.331 1.616 20 0 EDADLP CCC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000430999499 305072478 /nfs/dbraw/zinc/07/24/78/305072478.db2.gz LDYSGZRSOKMOAW-AWEZNQCLSA-N 2 2 345.447 1.504 20 0 EDADLP CCC[C@H]([NH3+])C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000430999499 305072479 /nfs/dbraw/zinc/07/24/79/305072479.db2.gz LDYSGZRSOKMOAW-AWEZNQCLSA-N 2 2 345.447 1.504 20 0 EDADLP CCC[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000431089474 305074859 /nfs/dbraw/zinc/07/48/59/305074859.db2.gz ZNRCVXCAMWGABI-UHFFFAOYSA-N 2 2 340.489 1.933 20 0 EDADLP CCC[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000431089474 305074860 /nfs/dbraw/zinc/07/48/60/305074860.db2.gz ZNRCVXCAMWGABI-UHFFFAOYSA-N 2 2 340.489 1.933 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000433159994 305102126 /nfs/dbraw/zinc/10/21/26/305102126.db2.gz UFBVMTJBHITVAZ-ZWKOTPCHSA-N 2 2 333.476 1.277 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)c3ncn([C@H]4CCC[NH2+]C4)n3)cn21 ZINC000433387005 305107359 /nfs/dbraw/zinc/10/73/59/305107359.db2.gz PRYWDXIEKJFHMR-AWEZNQCLSA-N 2 2 339.403 1.089 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434461005 305123262 /nfs/dbraw/zinc/12/32/62/305123262.db2.gz SAHWUBDHCIDCAT-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+](CCCCCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000434665901 305126721 /nfs/dbraw/zinc/12/67/21/305126721.db2.gz QCWDACMQLNQOTC-UHFFFAOYSA-N 2 2 339.505 1.487 20 0 EDADLP C[N@@H+](CCCCCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000434665901 305126722 /nfs/dbraw/zinc/12/67/22/305126722.db2.gz QCWDACMQLNQOTC-UHFFFAOYSA-N 2 2 339.505 1.487 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000434797801 305130540 /nfs/dbraw/zinc/13/05/40/305130540.db2.gz SWLPYVQUJKVVFC-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000434797801 305130541 /nfs/dbraw/zinc/13/05/41/305130541.db2.gz SWLPYVQUJKVVFC-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000435611504 305143297 /nfs/dbraw/zinc/14/32/97/305143297.db2.gz BDLGIBDTXYDZLB-KRWDZBQOSA-N 2 2 346.475 1.839 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)c1 ZINC000435611504 305143298 /nfs/dbraw/zinc/14/32/98/305143298.db2.gz BDLGIBDTXYDZLB-KRWDZBQOSA-N 2 2 346.475 1.839 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435618116 305143515 /nfs/dbraw/zinc/14/35/15/305143515.db2.gz RNGZYQOAXSYUEG-INIZCTEOSA-N 2 2 346.475 1.378 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435618116 305143516 /nfs/dbraw/zinc/14/35/16/305143516.db2.gz RNGZYQOAXSYUEG-INIZCTEOSA-N 2 2 346.475 1.378 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000435987438 305150559 /nfs/dbraw/zinc/15/05/59/305150559.db2.gz YAUFNIARKDPBEH-CVEARBPZSA-N 2 2 331.464 1.347 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000435987438 305150560 /nfs/dbraw/zinc/15/05/60/305150560.db2.gz YAUFNIARKDPBEH-CVEARBPZSA-N 2 2 331.464 1.347 20 0 EDADLP COC(=O)[C@H]1CC[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000436208316 305154212 /nfs/dbraw/zinc/15/42/12/305154212.db2.gz IEPNSXJXVBPBAY-SHTZXODSSA-N 2 2 339.480 1.108 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000441330602 305221018 /nfs/dbraw/zinc/22/10/18/305221018.db2.gz LXYZLCASLHAIDP-XWTMOSNGSA-N 2 2 327.513 1.263 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000441330602 305221019 /nfs/dbraw/zinc/22/10/19/305221019.db2.gz LXYZLCASLHAIDP-XWTMOSNGSA-N 2 2 327.513 1.263 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443039804 305233635 /nfs/dbraw/zinc/23/36/35/305233635.db2.gz SENYOXNPQPGWMV-LSDHHAIUSA-N 2 2 348.472 1.645 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443039804 305233636 /nfs/dbraw/zinc/23/36/36/305233636.db2.gz SENYOXNPQPGWMV-LSDHHAIUSA-N 2 2 348.472 1.645 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000447454786 305280542 /nfs/dbraw/zinc/28/05/42/305280542.db2.gz YIUQKAQMWMJHSZ-LLVKDONJSA-N 2 2 341.209 1.077 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000448208820 305293775 /nfs/dbraw/zinc/29/37/75/305293775.db2.gz LJTHCJJDWCUYBM-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000448208820 305293776 /nfs/dbraw/zinc/29/37/76/305293776.db2.gz LJTHCJJDWCUYBM-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000448208820 305293777 /nfs/dbraw/zinc/29/37/77/305293777.db2.gz LJTHCJJDWCUYBM-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000448208820 305293778 /nfs/dbraw/zinc/29/37/78/305293778.db2.gz LJTHCJJDWCUYBM-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000449143802 305307825 /nfs/dbraw/zinc/30/78/25/305307825.db2.gz RIEQFOVOHDJBRM-ZIAGYGMSSA-N 2 2 327.469 1.106 20 0 EDADLP CS[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451323518 305338847 /nfs/dbraw/zinc/33/88/47/305338847.db2.gz IPVKPVWWMRVABS-HUUCEWRRSA-N 2 2 334.489 1.556 20 0 EDADLP CS[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451323518 305338848 /nfs/dbraw/zinc/33/88/48/305338848.db2.gz IPVKPVWWMRVABS-HUUCEWRRSA-N 2 2 334.489 1.556 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000451958612 305374235 /nfs/dbraw/zinc/37/42/35/305374235.db2.gz HSOXPJKTIOQPCT-NVXWUHKLSA-N 2 2 325.522 1.758 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000451958612 305374236 /nfs/dbraw/zinc/37/42/36/305374236.db2.gz HSOXPJKTIOQPCT-NVXWUHKLSA-N 2 2 325.522 1.758 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1[NH+]1CCOCC1 ZINC000517037402 305747031 /nfs/dbraw/zinc/74/70/31/305747031.db2.gz XYGZERMEHPATSY-WMLDXEAASA-N 2 2 348.447 1.063 20 0 EDADLP COCCOC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000518758061 305763481 /nfs/dbraw/zinc/76/34/81/305763481.db2.gz QCILCSFGTYZWST-KGLIPLIRSA-N 2 2 325.453 1.109 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(F)cc(OC)c2)CC1 ZINC000449023483 447361460 /nfs/dbraw/zinc/36/14/60/447361460.db2.gz RCGCKOTWIOSNBS-UHFFFAOYSA-N 2 2 337.439 1.820 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCOCC[NH+](C)C)c1ccccc1 ZINC000530353262 305938643 /nfs/dbraw/zinc/93/86/43/305938643.db2.gz TWZUSKKMWJDUMK-MRXNPFEDSA-N 2 2 345.447 1.387 20 0 EDADLP Cc1cccn2cc(CC(=O)NCCCC[N@@H+]3CCC[C@H]3CO)[nH+]c12 ZINC000534258479 306004861 /nfs/dbraw/zinc/00/48/61/306004861.db2.gz WSQNJZIXDHXXRS-KRWDZBQOSA-N 2 2 344.459 1.538 20 0 EDADLP Cc1cccn2cc(CC(=O)NCCCC[N@H+]3CCC[C@H]3CO)[nH+]c12 ZINC000534258479 306004862 /nfs/dbraw/zinc/00/48/62/306004862.db2.gz WSQNJZIXDHXXRS-KRWDZBQOSA-N 2 2 344.459 1.538 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000541087836 306043991 /nfs/dbraw/zinc/04/39/91/306043991.db2.gz GGTMPROQJXFQFB-HNNXBMFYSA-N 2 2 329.448 1.458 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000541087836 306043992 /nfs/dbraw/zinc/04/39/92/306043992.db2.gz GGTMPROQJXFQFB-HNNXBMFYSA-N 2 2 329.448 1.458 20 0 EDADLP C[C@@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)[NH+]1CCSCC1 ZINC000554873346 306199028 /nfs/dbraw/zinc/19/90/28/306199028.db2.gz YDHFPEIBGYZEPP-LBPRGKRZSA-N 2 2 335.464 1.517 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])Cc1ccccc1 ZINC000557205088 306226389 /nfs/dbraw/zinc/22/63/89/306226389.db2.gz OCEMCQTXSCKNQX-MSOLQXFVSA-N 2 2 332.492 1.786 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])Cc1ccccc1 ZINC000557205088 306226390 /nfs/dbraw/zinc/22/63/90/306226390.db2.gz OCEMCQTXSCKNQX-MSOLQXFVSA-N 2 2 332.492 1.786 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)n1C ZINC000419716449 447369862 /nfs/dbraw/zinc/36/98/62/447369862.db2.gz YDERDZWYJSYCIV-BZUAXINKSA-N 2 2 346.479 1.970 20 0 EDADLP O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)Nc1ccn2cc[nH+]c2c1 ZINC000377816647 447371408 /nfs/dbraw/zinc/37/14/08/447371408.db2.gz JQICYEFBGZOTNK-GDBMZVCRSA-N 2 2 343.431 1.957 20 0 EDADLP Cn1c(C[NH2+]C[C@@H]2C[NH2+]CCN2C)nc2cc(C(F)(F)F)ccc21 ZINC000414959916 447375719 /nfs/dbraw/zinc/37/57/19/447375719.db2.gz GBGDZHWOWVMZFX-LBPRGKRZSA-N 2 2 341.381 1.585 20 0 EDADLP Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000657071122 453661372 /nfs/dbraw/zinc/66/13/72/453661372.db2.gz GBFBPJJOQOANPM-LBPRGKRZSA-N 2 2 331.482 1.447 20 0 EDADLP Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000657071122 453661375 /nfs/dbraw/zinc/66/13/75/453661375.db2.gz GBFBPJJOQOANPM-LBPRGKRZSA-N 2 2 331.482 1.447 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000458525917 447400480 /nfs/dbraw/zinc/40/04/80/447400480.db2.gz DXVGVDRUWFHLMM-YESZJQIVSA-N 2 2 338.496 1.127 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000458525917 447400487 /nfs/dbraw/zinc/40/04/87/447400487.db2.gz DXVGVDRUWFHLMM-YESZJQIVSA-N 2 2 338.496 1.127 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000458525917 447400497 /nfs/dbraw/zinc/40/04/97/447400497.db2.gz DXVGVDRUWFHLMM-YESZJQIVSA-N 2 2 338.496 1.127 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000458525917 447400474 /nfs/dbraw/zinc/40/04/74/447400474.db2.gz DXVGVDRUWFHLMM-YESZJQIVSA-N 2 2 338.496 1.127 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CCC([NH+](C)C)CC2)CCO1 ZINC000422247743 447421971 /nfs/dbraw/zinc/42/19/71/447421971.db2.gz XPKSKUSOBAACPZ-GPANFISMSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CCC([NH+](C)C)CC2)CCO1 ZINC000422247743 447421974 /nfs/dbraw/zinc/42/19/74/447421974.db2.gz XPKSKUSOBAACPZ-GPANFISMSA-N 2 2 326.485 1.269 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000057279469 441104693 /nfs/dbraw/zinc/10/46/93/441104693.db2.gz CQSLEGXNZIEQOI-VHRNVKJDSA-N 2 2 331.464 1.820 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000057279469 441104696 /nfs/dbraw/zinc/10/46/96/441104696.db2.gz CQSLEGXNZIEQOI-VHRNVKJDSA-N 2 2 331.464 1.820 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCCn3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000046432415 441107502 /nfs/dbraw/zinc/10/75/02/441107502.db2.gz CLJWIYYFDVEARM-IYBDPMFKSA-N 2 2 342.443 1.922 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCCn3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000046432415 441107505 /nfs/dbraw/zinc/10/75/05/441107505.db2.gz CLJWIYYFDVEARM-IYBDPMFKSA-N 2 2 342.443 1.922 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000070898051 441125545 /nfs/dbraw/zinc/12/55/45/441125545.db2.gz TWXBKRJDKFJJQS-UHFFFAOYSA-N 2 2 328.416 1.422 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000080430277 441168713 /nfs/dbraw/zinc/16/87/13/441168713.db2.gz GUZJNQHHYJFVSK-HNNXBMFYSA-N 2 2 343.456 1.531 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000080530132 441177475 /nfs/dbraw/zinc/17/74/75/441177475.db2.gz OCNCCIGXZMTSCY-MSOLQXFVSA-N 2 2 328.460 1.600 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000080530132 441177478 /nfs/dbraw/zinc/17/74/78/441177478.db2.gz OCNCCIGXZMTSCY-MSOLQXFVSA-N 2 2 328.460 1.600 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000071912675 441195113 /nfs/dbraw/zinc/19/51/13/441195113.db2.gz RSYJFOGKKPURSZ-OAHLLOKOSA-N 2 2 340.493 1.372 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000015297264 441198938 /nfs/dbraw/zinc/19/89/38/441198938.db2.gz VTKKFUYJCKMPHB-MRXNPFEDSA-N 2 2 347.459 1.359 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000015297264 441198944 /nfs/dbraw/zinc/19/89/44/441198944.db2.gz VTKKFUYJCKMPHB-MRXNPFEDSA-N 2 2 347.459 1.359 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000105198183 441242178 /nfs/dbraw/zinc/24/21/78/441242178.db2.gz FOCKXIRRKTWQCY-IXDOHACOSA-N 2 2 340.512 1.515 20 0 EDADLP COc1cc(CNC(=O)Cn2cc[nH+]c2)ccc1OCC[NH+](C)C ZINC000081314863 441253821 /nfs/dbraw/zinc/25/38/21/441253821.db2.gz RZKUZXVVCMMZGS-UHFFFAOYSA-N 2 2 332.404 1.149 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000072860454 441270391 /nfs/dbraw/zinc/27/03/91/441270391.db2.gz BKYCKCXTKBJXTM-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000072860454 441270396 /nfs/dbraw/zinc/27/03/96/441270396.db2.gz BKYCKCXTKBJXTM-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000072860454 441270398 /nfs/dbraw/zinc/27/03/98/441270398.db2.gz BKYCKCXTKBJXTM-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000072860454 441270402 /nfs/dbraw/zinc/27/04/02/441270402.db2.gz BKYCKCXTKBJXTM-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000106914049 441389116 /nfs/dbraw/zinc/38/91/16/441389116.db2.gz KOFXJIQIOJKDMG-IRXDYDNUSA-N 2 2 326.444 1.795 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000106583501 441360320 /nfs/dbraw/zinc/36/03/20/441360320.db2.gz ZDCLZRQHEYQKJQ-LSDHHAIUSA-N 2 2 334.468 1.282 20 0 EDADLP Cc1cc(N2CC[NH+](CCC(=O)NC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000025930485 441361247 /nfs/dbraw/zinc/36/12/47/441361247.db2.gz MTXYAZQALAYRAL-UHFFFAOYSA-N 2 2 333.480 1.945 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C(=O)OC)c(C)o3)C2)CC1 ZINC000107369525 441412486 /nfs/dbraw/zinc/41/24/86/441412486.db2.gz AYMXYBGKSOZSMM-OAHLLOKOSA-N 2 2 335.448 1.586 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C(=O)OC)c(C)o3)C2)CC1 ZINC000107369525 441412489 /nfs/dbraw/zinc/41/24/89/441412489.db2.gz AYMXYBGKSOZSMM-OAHLLOKOSA-N 2 2 335.448 1.586 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3cccc(OC)c3)C2)CC1 ZINC000107371128 441414839 /nfs/dbraw/zinc/41/48/39/441414839.db2.gz VUFDVXCKPFNMGH-QGZVFWFLSA-N 2 2 346.475 1.346 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(OC)c3)C2)CC1 ZINC000107371128 441414842 /nfs/dbraw/zinc/41/48/42/441414842.db2.gz VUFDVXCKPFNMGH-QGZVFWFLSA-N 2 2 346.475 1.346 20 0 EDADLP COc1cc(C)c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC000087455009 441491817 /nfs/dbraw/zinc/49/18/17/441491817.db2.gz DVNXMVXMISYHAO-UHFFFAOYSA-N 2 2 349.475 1.768 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(NC=O)cc1 ZINC000074676374 441456452 /nfs/dbraw/zinc/45/64/52/441456452.db2.gz WJGVRPLEBRDVJO-UHFFFAOYSA-N 2 2 332.448 1.353 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(NC=O)cc1 ZINC000074676374 441456457 /nfs/dbraw/zinc/45/64/57/441456457.db2.gz WJGVRPLEBRDVJO-UHFFFAOYSA-N 2 2 332.448 1.353 20 0 EDADLP COCC[NH+]1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000089594330 441561710 /nfs/dbraw/zinc/56/17/10/441561710.db2.gz OONOTRDJVCLGLH-UHFFFAOYSA-N 3 2 339.524 1.722 20 0 EDADLP COc1ccccc1NCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112921490 441568256 /nfs/dbraw/zinc/56/82/56/441568256.db2.gz SFJFLMFEASXVBU-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP COc1ccccc1NCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112921490 441568260 /nfs/dbraw/zinc/56/82/60/441568260.db2.gz SFJFLMFEASXVBU-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nn1 ZINC000090708234 441641879 /nfs/dbraw/zinc/64/18/79/441641879.db2.gz BHXUZWSRYJSTKS-UHFFFAOYSA-N 2 2 335.452 1.338 20 0 EDADLP Cc1cc(NCCCC[NH+]2CCN(CCO)CC2)nc(C(C)C)[nH+]1 ZINC000114450792 441657333 /nfs/dbraw/zinc/65/73/33/441657333.db2.gz WNFLPUJOKXOSNY-UHFFFAOYSA-N 2 2 335.496 1.710 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000114801868 441685399 /nfs/dbraw/zinc/68/53/99/441685399.db2.gz LYNJTQSPPPGFIB-LSDHHAIUSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(CO)c1 ZINC000121609482 441742061 /nfs/dbraw/zinc/74/20/61/441742061.db2.gz ZBKXOPCALDESSU-MAUKXSAKSA-N 2 2 333.476 1.772 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(CO)c1 ZINC000121609482 441742063 /nfs/dbraw/zinc/74/20/63/441742063.db2.gz ZBKXOPCALDESSU-MAUKXSAKSA-N 2 2 333.476 1.772 20 0 EDADLP C[N@H+](CCN1C(=O)CCC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121627087 441747057 /nfs/dbraw/zinc/74/70/57/441747057.db2.gz IWBQAUBENQHTAN-UHFFFAOYSA-N 2 2 329.444 1.732 20 0 EDADLP C[N@@H+](CCN1C(=O)CCC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121627087 441747067 /nfs/dbraw/zinc/74/70/67/441747067.db2.gz IWBQAUBENQHTAN-UHFFFAOYSA-N 2 2 329.444 1.732 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nn(C)c2OC)[C@H](C)C1 ZINC000115628701 441764899 /nfs/dbraw/zinc/76/48/99/441764899.db2.gz GJTFZGXHWZERDL-PBHICJAKSA-N 2 2 338.496 1.964 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nn(C)c2OC)[C@H](C)C1 ZINC000115628701 441764906 /nfs/dbraw/zinc/76/49/06/441764906.db2.gz GJTFZGXHWZERDL-PBHICJAKSA-N 2 2 338.496 1.964 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCCn1cc[nH+]c1 ZINC000043311986 441832733 /nfs/dbraw/zinc/83/27/33/441832733.db2.gz FLYZRBGQNVXNCL-UHFFFAOYSA-N 2 2 326.404 1.931 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000116788265 441845542 /nfs/dbraw/zinc/84/55/42/441845542.db2.gz TUROMKWQCHMXKI-KRZKXXONSA-N 2 2 340.427 1.675 20 0 EDADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078146822 441903797 /nfs/dbraw/zinc/90/37/97/441903797.db2.gz BUJLKLFIQOKONN-AEFFLSMTSA-N 2 2 342.443 1.679 20 0 EDADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078146822 441903799 /nfs/dbraw/zinc/90/37/99/441903799.db2.gz BUJLKLFIQOKONN-AEFFLSMTSA-N 2 2 342.443 1.679 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000174545279 441937246 /nfs/dbraw/zinc/93/72/46/441937246.db2.gz NBPRDFFGCDLCAL-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000174545279 441937250 /nfs/dbraw/zinc/93/72/50/441937250.db2.gz NBPRDFFGCDLCAL-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000151427385 442060134 /nfs/dbraw/zinc/06/01/34/442060134.db2.gz ZWKNFWBDBGVTAT-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000151427385 442060140 /nfs/dbraw/zinc/06/01/40/442060140.db2.gz ZWKNFWBDBGVTAT-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1nn(C)c2ncc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc12 ZINC000162195149 442072550 /nfs/dbraw/zinc/07/25/50/442072550.db2.gz BPVDVMNVYVFQNI-UHFFFAOYSA-N 2 2 344.507 1.735 20 0 EDADLP Cc1nn(C)c2ncc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc12 ZINC000162195149 442072555 /nfs/dbraw/zinc/07/25/55/442072555.db2.gz BPVDVMNVYVFQNI-UHFFFAOYSA-N 2 2 344.507 1.735 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000151524003 442078128 /nfs/dbraw/zinc/07/81/28/442078128.db2.gz OFTXTFUNGQPGKX-LBPRGKRZSA-N 2 2 331.445 1.952 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175771898 442119195 /nfs/dbraw/zinc/11/91/95/442119195.db2.gz GCOFSSGCDNZEIG-GOEBONIOSA-N 2 2 335.452 1.086 20 0 EDADLP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](CCO)CC1 ZINC000096625550 442147307 /nfs/dbraw/zinc/14/73/07/442147307.db2.gz CPEOMNJDGFHDAG-UHFFFAOYSA-N 2 2 331.460 1.035 20 0 EDADLP O=C(C[NH+]1CCC(CO)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000079992009 442104035 /nfs/dbraw/zinc/10/40/35/442104035.db2.gz XTIBIRMCNXJKFK-UHFFFAOYSA-N 2 2 337.489 1.097 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1 ZINC000127058677 442165990 /nfs/dbraw/zinc/16/59/90/442165990.db2.gz SBCOSDKJMWQCAV-JKSUJKDBSA-N 2 2 349.500 1.844 20 0 EDADLP CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCCC2 ZINC000121138406 442181699 /nfs/dbraw/zinc/18/16/99/442181699.db2.gz DPGLYICQZAVNPP-SJORKVTESA-N 2 2 337.508 1.820 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000163971712 442187121 /nfs/dbraw/zinc/18/71/21/442187121.db2.gz XIJWERTWSARTRQ-CXAGYDPISA-N 2 2 328.416 1.776 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000097000209 442154525 /nfs/dbraw/zinc/15/45/25/442154525.db2.gz WPVSSBVQUYUTIM-UHFFFAOYSA-N 2 2 325.478 1.333 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000097000209 442154527 /nfs/dbraw/zinc/15/45/27/442154527.db2.gz WPVSSBVQUYUTIM-UHFFFAOYSA-N 2 2 325.478 1.333 20 0 EDADLP Cn1c[nH+]cc1CNc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000127507189 442207890 /nfs/dbraw/zinc/20/78/90/442207890.db2.gz BVNLNDYJXGIABY-OAHLLOKOSA-N 2 2 327.432 1.730 20 0 EDADLP Cn1c[nH+]cc1CNc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000127507189 442207892 /nfs/dbraw/zinc/20/78/92/442207892.db2.gz BVNLNDYJXGIABY-OAHLLOKOSA-N 2 2 327.432 1.730 20 0 EDADLP CC(C)[NH2+]CCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000168535444 442224394 /nfs/dbraw/zinc/22/43/94/442224394.db2.gz SOEPNOIXXLDDTP-SFHVURJKSA-N 2 2 333.476 1.434 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000168890855 442225275 /nfs/dbraw/zinc/22/52/75/442225275.db2.gz JPYLNYDUHKPJTI-LJQANCHMSA-N 2 2 335.467 1.793 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCNC(=O)C(C)(C)C)CC1 ZINC000177143720 442304582 /nfs/dbraw/zinc/30/45/82/442304582.db2.gz YUJQIOHSYZUXPR-UHFFFAOYSA-N 2 2 340.512 1.071 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000177099762 442296607 /nfs/dbraw/zinc/29/66/07/442296607.db2.gz NSQHILVQCOCQPY-UHFFFAOYSA-N 2 2 330.432 1.907 20 0 EDADLP CC[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255616 442321246 /nfs/dbraw/zinc/32/12/46/442321246.db2.gz QVLASXUKVKWEMI-MRXNPFEDSA-N 2 2 332.492 1.935 20 0 EDADLP CC[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255616 442321250 /nfs/dbraw/zinc/32/12/50/442321250.db2.gz QVLASXUKVKWEMI-MRXNPFEDSA-N 2 2 332.492 1.935 20 0 EDADLP CC(C)COCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154234610 442327971 /nfs/dbraw/zinc/32/79/71/442327971.db2.gz ZBRAUWHBWNOUII-JWTNVVGKSA-N 2 2 337.508 1.819 20 0 EDADLP CC(C)COCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154234610 442327974 /nfs/dbraw/zinc/32/79/74/442327974.db2.gz ZBRAUWHBWNOUII-JWTNVVGKSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129696715 442328725 /nfs/dbraw/zinc/32/87/25/442328725.db2.gz JOJCLZMRMJFOOZ-HOCLYGCPSA-N 2 2 330.436 1.158 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129696715 442328729 /nfs/dbraw/zinc/32/87/29/442328729.db2.gz JOJCLZMRMJFOOZ-HOCLYGCPSA-N 2 2 330.436 1.158 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171225493 442330480 /nfs/dbraw/zinc/33/04/80/442330480.db2.gz ADNHYMCKFNEPGB-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171225493 442330483 /nfs/dbraw/zinc/33/04/83/442330483.db2.gz ADNHYMCKFNEPGB-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153966036 442313230 /nfs/dbraw/zinc/31/32/30/442313230.db2.gz ILVMXLUUXMZIEW-KSZLIROESA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153966036 442313234 /nfs/dbraw/zinc/31/32/34/442313234.db2.gz ILVMXLUUXMZIEW-KSZLIROESA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCCc2ccccc2C1)[NH+]1CCOCC1 ZINC000171592178 442360209 /nfs/dbraw/zinc/36/02/09/442360209.db2.gz UDRSUVQLIRAEDP-UHFFFAOYSA-N 2 2 345.487 1.662 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCCc2ccccc2C1)[NH+]1CCOCC1 ZINC000171592178 442360212 /nfs/dbraw/zinc/36/02/12/442360212.db2.gz UDRSUVQLIRAEDP-UHFFFAOYSA-N 2 2 345.487 1.662 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000155634435 442414683 /nfs/dbraw/zinc/41/46/83/442414683.db2.gz BHWVOOHVAZKDBP-SZMVWBNQSA-N 2 2 333.476 1.858 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)n1 ZINC000178213853 442415820 /nfs/dbraw/zinc/41/58/20/442415820.db2.gz TWQUWNBJCGOVFZ-UHFFFAOYSA-N 2 2 327.392 1.414 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000156166322 442452103 /nfs/dbraw/zinc/45/21/03/442452103.db2.gz NLFZWFUGDCTINA-CABCVRRESA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000156166322 442452106 /nfs/dbraw/zinc/45/21/06/442452106.db2.gz NLFZWFUGDCTINA-CABCVRRESA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172581812 442496925 /nfs/dbraw/zinc/49/69/25/442496925.db2.gz ZGFLPHICVKDVDX-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172581812 442496928 /nfs/dbraw/zinc/49/69/28/442496928.db2.gz ZGFLPHICVKDVDX-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000172581812 442496930 /nfs/dbraw/zinc/49/69/30/442496930.db2.gz ZGFLPHICVKDVDX-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000172581812 442496933 /nfs/dbraw/zinc/49/69/33/442496933.db2.gz ZGFLPHICVKDVDX-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000178707826 442459463 /nfs/dbraw/zinc/45/94/63/442459463.db2.gz CWLWUKFSAAIGHL-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000178707826 442459468 /nfs/dbraw/zinc/45/94/68/442459468.db2.gz CWLWUKFSAAIGHL-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000178707826 442459471 /nfs/dbraw/zinc/45/94/71/442459471.db2.gz CWLWUKFSAAIGHL-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000178707826 442459476 /nfs/dbraw/zinc/45/94/76/442459476.db2.gz CWLWUKFSAAIGHL-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP Cn1cc[nH+]c1CC1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000178732481 442466613 /nfs/dbraw/zinc/46/66/13/442466613.db2.gz UWCSDBMKZSPCRO-UHFFFAOYSA-N 2 2 330.436 1.671 20 0 EDADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000186126084 442467837 /nfs/dbraw/zinc/46/78/37/442467837.db2.gz KBNQSBACMRPSKM-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000178739182 442470284 /nfs/dbraw/zinc/47/02/84/442470284.db2.gz FZRSSDHFVACRMK-RDJZCZTQSA-N 2 2 331.464 1.932 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000178739182 442470289 /nfs/dbraw/zinc/47/02/89/442470289.db2.gz FZRSSDHFVACRMK-RDJZCZTQSA-N 2 2 331.464 1.932 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178781093 442483613 /nfs/dbraw/zinc/48/36/13/442483613.db2.gz WDVUGFRMMLNNPT-INIZCTEOSA-N 2 2 331.464 1.836 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[C@@H]3CC[NH2+]C3)cn2c1 ZINC000178953158 442536465 /nfs/dbraw/zinc/53/64/65/442536465.db2.gz VWCZQNHVGSFYPT-AWEZNQCLSA-N 2 2 332.473 1.992 20 0 EDADLP CC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)[NH+](C)C ZINC000157000785 442541133 /nfs/dbraw/zinc/54/11/33/442541133.db2.gz XYXCVFANLCHAFE-MSOLQXFVSA-N 2 2 333.476 1.825 20 0 EDADLP CC(C)C1CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000178906856 442520972 /nfs/dbraw/zinc/52/09/72/442520972.db2.gz BBJCZUUYTIPREZ-ABHNRTSZSA-N 2 2 337.508 1.724 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000157475414 442587009 /nfs/dbraw/zinc/58/70/09/442587009.db2.gz HDWHEKYFZXDSPW-INIZCTEOSA-N 2 2 333.480 1.050 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000157475414 442587011 /nfs/dbraw/zinc/58/70/11/442587011.db2.gz HDWHEKYFZXDSPW-INIZCTEOSA-N 2 2 333.480 1.050 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000192109723 442595424 /nfs/dbraw/zinc/59/54/24/442595424.db2.gz VOLKHWJHEAXOCB-YESZJQIVSA-N 2 2 333.476 1.719 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000173057170 442596333 /nfs/dbraw/zinc/59/63/33/442596333.db2.gz CXFSYWHBORGYFN-KRWDZBQOSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000192126367 442598608 /nfs/dbraw/zinc/59/86/08/442598608.db2.gz BIGJFZYEVPBLME-SJLPKXTDSA-N 2 2 331.460 1.345 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCc4ccccc4NC3=O)C2)CC1 ZINC000192013313 442567611 /nfs/dbraw/zinc/56/76/11/442567611.db2.gz IKVKLGYAKBRQDA-IEBWSBKVSA-N 2 2 342.487 1.652 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCc4ccccc4NC3=O)C2)CC1 ZINC000192013313 442567618 /nfs/dbraw/zinc/56/76/18/442567618.db2.gz IKVKLGYAKBRQDA-IEBWSBKVSA-N 2 2 342.487 1.652 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000187016696 442646099 /nfs/dbraw/zinc/64/60/99/442646099.db2.gz BIEQMCOOOINUKD-UHFFFAOYSA-N 2 2 327.432 1.349 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCS1 ZINC000192432237 442646377 /nfs/dbraw/zinc/64/63/77/442646377.db2.gz WHXDBDSJUMSXGI-CQSZACIVSA-N 2 2 328.526 1.549 20 0 EDADLP C[C@H]1c2cccn2CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179301881 442616215 /nfs/dbraw/zinc/61/62/15/442616215.db2.gz BRRPVOSMNGKGIP-HNNXBMFYSA-N 2 2 333.480 1.600 20 0 EDADLP C[N@H+](CCCOC(=O)NC(N)=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180586233 442628881 /nfs/dbraw/zinc/62/88/81/442628881.db2.gz SSZVISGHINNYSR-UHFFFAOYSA-N 2 2 348.447 1.778 20 0 EDADLP C[N@@H+](CCCOC(=O)NC(N)=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180586233 442628885 /nfs/dbraw/zinc/62/88/85/442628885.db2.gz SSZVISGHINNYSR-UHFFFAOYSA-N 2 2 348.447 1.778 20 0 EDADLP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181026513 442675800 /nfs/dbraw/zinc/67/58/00/442675800.db2.gz SXAUKTDCELADGH-HKUYNNGSSA-N 2 2 345.487 1.530 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000181034824 442676770 /nfs/dbraw/zinc/67/67/70/442676770.db2.gz FHWXJTBAWWMWLA-MJGOQNOKSA-N 2 2 343.471 1.587 20 0 EDADLP CC[C@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000187584086 442681724 /nfs/dbraw/zinc/68/17/24/442681724.db2.gz SVPZKRIBHDYHAF-IBGZPJMESA-N 2 2 349.475 1.408 20 0 EDADLP CC[C@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000187584086 442681725 /nfs/dbraw/zinc/68/17/25/442681725.db2.gz SVPZKRIBHDYHAF-IBGZPJMESA-N 2 2 349.475 1.408 20 0 EDADLP CC(C)N1CC[NH+](CCCN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000192838761 442691790 /nfs/dbraw/zinc/69/17/90/442691790.db2.gz TUYRILBSHJRTDS-SFHVURJKSA-N 2 2 340.556 1.180 20 0 EDADLP CC(C)N1CC[NH+](CCCN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000192838761 442691791 /nfs/dbraw/zinc/69/17/91/442691791.db2.gz TUYRILBSHJRTDS-SFHVURJKSA-N 2 2 340.556 1.180 20 0 EDADLP CN(CCC[NH+]1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188267318 442731398 /nfs/dbraw/zinc/73/13/98/442731398.db2.gz BXWPUVBGEMIEJR-HXUWFJFHSA-N 2 2 347.503 1.278 20 0 EDADLP CN(CCC[NH+]1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188267318 442731401 /nfs/dbraw/zinc/73/14/01/442731401.db2.gz BXWPUVBGEMIEJR-HXUWFJFHSA-N 2 2 347.503 1.278 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)s1 ZINC000188755910 442805475 /nfs/dbraw/zinc/80/54/75/442805475.db2.gz SRVRCWBWCWPDBX-SWLSCSKDSA-N 2 2 325.453 1.655 20 0 EDADLP CC(C)OCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000182375226 442761560 /nfs/dbraw/zinc/76/15/60/442761560.db2.gz ZDHTVACEVSTGKF-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193654113 442764298 /nfs/dbraw/zinc/76/42/98/442764298.db2.gz SXPLAKUDDMRMOE-CALCHBBNSA-N 2 2 331.460 1.407 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193654113 442764300 /nfs/dbraw/zinc/76/43/00/442764300.db2.gz SXPLAKUDDMRMOE-CALCHBBNSA-N 2 2 331.460 1.407 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193654113 442764302 /nfs/dbraw/zinc/76/43/02/442764302.db2.gz SXPLAKUDDMRMOE-CALCHBBNSA-N 2 2 331.460 1.407 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193654113 442764305 /nfs/dbraw/zinc/76/43/05/442764305.db2.gz SXPLAKUDDMRMOE-CALCHBBNSA-N 2 2 331.460 1.407 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000193698989 442769007 /nfs/dbraw/zinc/76/90/07/442769007.db2.gz MTCWZIMJCCIMGV-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CS(=O)(=O)Nc1cccc2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000182704210 442809706 /nfs/dbraw/zinc/80/97/06/442809706.db2.gz WMDZVVDROJXQIP-UHFFFAOYSA-N 2 2 334.445 1.703 20 0 EDADLP CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000182704210 442809710 /nfs/dbraw/zinc/80/97/10/442809710.db2.gz WMDZVVDROJXQIP-UHFFFAOYSA-N 2 2 334.445 1.703 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193941419 442816516 /nfs/dbraw/zinc/81/65/16/442816516.db2.gz JKGMCNLLRSQGMW-CQSZACIVSA-N 2 2 343.431 1.657 20 0 EDADLP O[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000193968271 442821612 /nfs/dbraw/zinc/82/16/12/442821612.db2.gz XCARJKKUWOUBCI-UAFMIMERSA-N 2 2 342.483 1.953 20 0 EDADLP O[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C[N@H+]1CCc2ccccc2C1 ZINC000193968271 442821616 /nfs/dbraw/zinc/82/16/16/442821616.db2.gz XCARJKKUWOUBCI-UAFMIMERSA-N 2 2 342.483 1.953 20 0 EDADLP CC1CCC(NC(=O)CN2CC[NH+](CCCn3cc[nH+]c3)CC2)CC1 ZINC000182890333 442842868 /nfs/dbraw/zinc/84/28/68/442842868.db2.gz WAXRLKBHAYQIRN-UHFFFAOYSA-N 2 2 347.507 1.586 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)NCCCNc2cccc[nH+]2)ccn1 ZINC000183205816 442902967 /nfs/dbraw/zinc/90/29/67/442902967.db2.gz YFBAGHSYQVQYDM-UHFFFAOYSA-N 2 2 343.431 1.649 20 0 EDADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@H]1n1cc[nH+]c1 ZINC000268324057 442947193 /nfs/dbraw/zinc/94/71/93/442947193.db2.gz KRMBXMMDNJRYCV-LSDHHAIUSA-N 2 2 337.493 1.524 20 0 EDADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1[NH+](C)C ZINC000268324488 442947688 /nfs/dbraw/zinc/94/76/88/442947688.db2.gz SJFXUNVAAPAYNM-BBRMVZONSA-N 2 2 341.415 1.219 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000249260567 442962907 /nfs/dbraw/zinc/96/29/07/442962907.db2.gz IRLVPNUGKGEFBR-INIZCTEOSA-N 2 2 344.463 1.859 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000249260567 442962909 /nfs/dbraw/zinc/96/29/09/442962909.db2.gz IRLVPNUGKGEFBR-INIZCTEOSA-N 2 2 344.463 1.859 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000194956591 442971857 /nfs/dbraw/zinc/97/18/57/442971857.db2.gz NEUQUPCUENPHMU-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)cc[nH+]1 ZINC000184901173 443094102 /nfs/dbraw/zinc/09/41/02/443094102.db2.gz TVKLDRIBDHKCEM-UHFFFAOYSA-N 2 2 348.495 1.735 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000266315830 443095100 /nfs/dbraw/zinc/09/51/00/443095100.db2.gz OYVGGOIHKBKOHX-GOSISDBHSA-N 2 2 346.475 1.346 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000266315830 443095105 /nfs/dbraw/zinc/09/51/05/443095105.db2.gz OYVGGOIHKBKOHX-GOSISDBHSA-N 2 2 346.475 1.346 20 0 EDADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000266315830 443095109 /nfs/dbraw/zinc/09/51/09/443095109.db2.gz OYVGGOIHKBKOHX-GOSISDBHSA-N 2 2 346.475 1.346 20 0 EDADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000266315830 443095114 /nfs/dbraw/zinc/09/51/14/443095114.db2.gz OYVGGOIHKBKOHX-GOSISDBHSA-N 2 2 346.475 1.346 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000184837858 443084394 /nfs/dbraw/zinc/08/43/94/443084394.db2.gz PRTIHSGTDYJSJT-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000268871165 443132383 /nfs/dbraw/zinc/13/23/83/443132383.db2.gz VITOHDRAFOIQOV-CQSZACIVSA-N 2 2 340.489 1.588 20 0 EDADLP CC(C)(C[NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000236597200 443139806 /nfs/dbraw/zinc/13/98/06/443139806.db2.gz VHIQCIUGTGSWKB-UHFFFAOYSA-N 2 2 339.867 1.848 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000184962684 443107539 /nfs/dbraw/zinc/10/75/39/443107539.db2.gz WAPWXERRXBMAJS-HNNXBMFYSA-N 2 2 332.452 1.101 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000184962684 443107542 /nfs/dbraw/zinc/10/75/42/443107542.db2.gz WAPWXERRXBMAJS-HNNXBMFYSA-N 2 2 332.452 1.101 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H](C)C2C[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000262441534 443194248 /nfs/dbraw/zinc/19/42/48/443194248.db2.gz UYQNDRXOXYWARS-CRAIPNDOSA-N 2 2 331.460 1.340 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268964010 443160740 /nfs/dbraw/zinc/16/07/40/443160740.db2.gz YASPCNNMSGRHTG-SJLPKXTDSA-N 3 2 334.508 1.523 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268964010 443160742 /nfs/dbraw/zinc/16/07/42/443160742.db2.gz YASPCNNMSGRHTG-SJLPKXTDSA-N 3 2 334.508 1.523 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C[C@@H]1C ZINC000269206397 443232158 /nfs/dbraw/zinc/23/21/58/443232158.db2.gz DDESFXCFRUFUBP-MPGHIAIKSA-N 2 2 326.444 1.916 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000245505831 443232890 /nfs/dbraw/zinc/23/28/90/443232890.db2.gz MRRCBLKDWQQDCI-MUJYYYPQSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000245505831 443232893 /nfs/dbraw/zinc/23/28/93/443232893.db2.gz MRRCBLKDWQQDCI-MUJYYYPQSA-N 2 2 340.512 1.610 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000269210171 443233710 /nfs/dbraw/zinc/23/37/10/443233710.db2.gz BQDFSKKDELHNED-RYQLBKOJSA-N 2 2 342.443 1.078 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245534947 443234448 /nfs/dbraw/zinc/23/44/48/443234448.db2.gz YWLSRORCUNHMFS-SJORKVTESA-N 2 2 345.491 1.937 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245534947 443234452 /nfs/dbraw/zinc/23/44/52/443234452.db2.gz YWLSRORCUNHMFS-SJORKVTESA-N 2 2 345.491 1.937 20 0 EDADLP CC[C@H](C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1)[NH+](C)C ZINC000413070525 319262414 /nfs/dbraw/zinc/26/24/14/319262414.db2.gz ZWRZYZYQCHLYDD-ZWKOTPCHSA-N 2 2 333.476 1.825 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCO[C@@H](C4CCC4)C3)cn2)CC1 ZINC000414467495 319328039 /nfs/dbraw/zinc/32/80/39/319328039.db2.gz BHNSHJTYTZDAND-QGZVFWFLSA-N 2 2 331.464 1.229 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCO[C@@H](C4CCC4)C3)cn2)CC1 ZINC000414467495 319328041 /nfs/dbraw/zinc/32/80/41/319328041.db2.gz BHNSHJTYTZDAND-QGZVFWFLSA-N 2 2 331.464 1.229 20 0 EDADLP C[C@@H](NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)[C@H](C)[NH3+] ZINC000415796334 319371001 /nfs/dbraw/zinc/37/10/01/319371001.db2.gz ZQHPTUDPFCEPCN-JGVFFNPUSA-N 2 2 330.230 1.767 20 0 EDADLP [NH3+][C@H]1CCc2ncc(NC(=O)NCCNc3cccc[nH+]3)cc2C1 ZINC000415962851 319385497 /nfs/dbraw/zinc/38/54/97/319385497.db2.gz QMHKUUWENHCSPC-ZDUSSCGKSA-N 2 2 326.404 1.526 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)CC1 ZINC000269311396 443277387 /nfs/dbraw/zinc/27/73/87/443277387.db2.gz WZNHNAJJPWIDEC-INIZCTEOSA-N 2 2 334.489 1.425 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2nc3ccccc3o2)CC1 ZINC000269315762 443278621 /nfs/dbraw/zinc/27/86/21/443278621.db2.gz KHADHPVRFAIYLL-AWEZNQCLSA-N 2 2 330.432 1.812 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2nc3ccccc3o2)CC1 ZINC000269315762 443278623 /nfs/dbraw/zinc/27/86/23/443278623.db2.gz KHADHPVRFAIYLL-AWEZNQCLSA-N 2 2 330.432 1.812 20 0 EDADLP C[C@]1(C(N)=O)CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185917943 443283367 /nfs/dbraw/zinc/28/33/67/443283367.db2.gz VZDJYDBEBXQPOU-BNPWSIICSA-N 2 2 336.480 1.002 20 0 EDADLP C[C@]1(C(N)=O)CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185917943 443283368 /nfs/dbraw/zinc/28/33/68/443283368.db2.gz VZDJYDBEBXQPOU-BNPWSIICSA-N 2 2 336.480 1.002 20 0 EDADLP C[C@]1(C(N)=O)CCCC[N@H+]1C/C=C/C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000185917943 443283369 /nfs/dbraw/zinc/28/33/69/443283369.db2.gz VZDJYDBEBXQPOU-BNPWSIICSA-N 2 2 336.480 1.002 20 0 EDADLP C[C@]1(C(N)=O)CCCC[N@@H+]1C/C=C/C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000185917943 443283370 /nfs/dbraw/zinc/28/33/70/443283370.db2.gz VZDJYDBEBXQPOU-BNPWSIICSA-N 2 2 336.480 1.002 20 0 EDADLP CC[NH+](CC)CCCN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000191384208 443287503 /nfs/dbraw/zinc/28/75/03/443287503.db2.gz UDNLQYUEJQNREJ-SFHVURJKSA-N 2 2 338.540 1.737 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1cccs1 ZINC000416438473 319425518 /nfs/dbraw/zinc/42/55/18/319425518.db2.gz OPMXSGKQSDTXFQ-NEPJUHHUSA-N 2 2 346.447 1.895 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1)c1ccccc1 ZINC000266958152 443303011 /nfs/dbraw/zinc/30/30/11/443303011.db2.gz VWWVDVPOCKUKGW-OAHLLOKOSA-N 2 2 327.432 1.420 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000191499656 443303834 /nfs/dbraw/zinc/30/38/34/443303834.db2.gz SCROZLVRMULXMK-UHFFFAOYSA-N 2 2 328.420 1.694 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000191499656 443303839 /nfs/dbraw/zinc/30/38/39/443303839.db2.gz SCROZLVRMULXMK-UHFFFAOYSA-N 2 2 328.420 1.694 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC[NH2+]1 ZINC000416923465 319475757 /nfs/dbraw/zinc/47/57/57/319475757.db2.gz QHJVHBOWLFILPF-DOMZBBRYSA-N 2 2 331.395 1.652 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC[NH2+]1 ZINC000416923469 319475845 /nfs/dbraw/zinc/47/58/45/319475845.db2.gz QHJVHBOWLFILPF-SWLSCSKDSA-N 2 2 331.395 1.652 20 0 EDADLP CN(CC[NH+](C)C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000267076921 443334418 /nfs/dbraw/zinc/33/44/18/443334418.db2.gz IMBOIFHEWKZFNU-OAHLLOKOSA-N 2 2 333.411 1.852 20 0 EDADLP COc1ccc([C@H](C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000267200473 443376404 /nfs/dbraw/zinc/37/64/04/443376404.db2.gz CZBPNVHUCNFVOT-HNNXBMFYSA-N 2 2 333.476 1.941 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1OC(F)F ZINC000264709131 443384573 /nfs/dbraw/zinc/38/45/73/443384573.db2.gz AZXYOKZSXWNNRQ-CYBMUJFWSA-N 2 2 329.391 1.632 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1OC(F)F ZINC000264709131 443384575 /nfs/dbraw/zinc/38/45/75/443384575.db2.gz AZXYOKZSXWNNRQ-CYBMUJFWSA-N 2 2 329.391 1.632 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000419211725 319571311 /nfs/dbraw/zinc/57/13/11/319571311.db2.gz SVYRMHIRSSHXGJ-KGLIPLIRSA-N 2 2 343.431 1.164 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000269629382 443371537 /nfs/dbraw/zinc/37/15/37/443371537.db2.gz HISPCQNDUNEFOQ-IBGZPJMESA-N 2 2 344.503 1.703 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272781544 443443095 /nfs/dbraw/zinc/44/30/95/443443095.db2.gz IRBOOAQCGMKEHI-KRWDZBQOSA-N 2 2 328.416 1.156 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272781544 443443099 /nfs/dbraw/zinc/44/30/99/443443099.db2.gz IRBOOAQCGMKEHI-KRWDZBQOSA-N 2 2 328.416 1.156 20 0 EDADLP CC(C)(C)[N@@H+](CC(N)=O)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278736933 443420206 /nfs/dbraw/zinc/42/02/06/443420206.db2.gz WEOYWEIRCMWNRS-KRWDZBQOSA-N 2 2 333.476 1.863 20 0 EDADLP CC(C)(C)[N@H+](CC(N)=O)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278736933 443420209 /nfs/dbraw/zinc/42/02/09/443420209.db2.gz WEOYWEIRCMWNRS-KRWDZBQOSA-N 2 2 333.476 1.863 20 0 EDADLP CC(C)(C)[NH+](CC(N)=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278736933 443420211 /nfs/dbraw/zinc/42/02/11/443420211.db2.gz WEOYWEIRCMWNRS-KRWDZBQOSA-N 2 2 333.476 1.863 20 0 EDADLP CC(C)(C)[NH+](CC(N)=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278736933 443420216 /nfs/dbraw/zinc/42/02/16/443420216.db2.gz WEOYWEIRCMWNRS-KRWDZBQOSA-N 2 2 333.476 1.863 20 0 EDADLP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)/C=C/C[NH+](C)C)c2cccs2)CCO1 ZINC000267369102 443432915 /nfs/dbraw/zinc/43/29/15/443432915.db2.gz XLXNQORHEQHOBB-PWZNUNQRSA-N 2 2 337.489 1.744 20 0 EDADLP C[C@@H]1C[N@H+]([C@@H](CNC(=O)/C=C/C[NH+](C)C)c2cccs2)CCO1 ZINC000267369102 443432917 /nfs/dbraw/zinc/43/29/17/443432917.db2.gz XLXNQORHEQHOBB-PWZNUNQRSA-N 2 2 337.489 1.744 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267383174 443437972 /nfs/dbraw/zinc/43/79/72/443437972.db2.gz VLPDNWOKKXOFHM-OAHLLOKOSA-N 2 2 343.431 1.198 20 0 EDADLP COc1ccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC000267258969 443396634 /nfs/dbraw/zinc/39/66/34/443396634.db2.gz NTHZNKMXSIKHSW-UHFFFAOYSA-N 2 2 349.475 1.389 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)[nH]1 ZINC000272797720 443448729 /nfs/dbraw/zinc/44/87/29/443448729.db2.gz YZHSXGXEQBPYOS-HOTGVXAUSA-N 2 2 348.491 1.792 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000423327293 319764924 /nfs/dbraw/zinc/76/49/24/319764924.db2.gz KCDYJXKMZGGPBA-INIZCTEOSA-N 2 2 332.448 1.313 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NCCc2cn3ccccc3[nH+]2)n1C ZINC000267600396 443510310 /nfs/dbraw/zinc/51/03/10/443510310.db2.gz LXQJCPTZZIAQDB-UHFFFAOYSA-N 2 2 341.419 1.176 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423388826 319769577 /nfs/dbraw/zinc/76/95/77/319769577.db2.gz IZVNIAITTKPRBP-KZNAEPCWSA-N 2 2 327.428 1.723 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H](C)[C@@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000423761577 319812464 /nfs/dbraw/zinc/81/24/64/319812464.db2.gz RQOPJYRJAGLNLS-MCIONIFRSA-N 2 2 325.478 1.529 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000265141616 443548025 /nfs/dbraw/zinc/54/80/25/443548025.db2.gz IOVZGBXRBYRBLD-MRXNPFEDSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000265141616 443548027 /nfs/dbraw/zinc/54/80/27/443548027.db2.gz IOVZGBXRBYRBLD-MRXNPFEDSA-N 2 2 327.432 1.884 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000433169139 319974135 /nfs/dbraw/zinc/97/41/35/319974135.db2.gz PWFXXOFICIPDEJ-LBPRGKRZSA-N 2 2 339.237 1.944 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000283568279 443662461 /nfs/dbraw/zinc/66/24/61/443662461.db2.gz OGRDXYOAHWUYPG-QGZVFWFLSA-N 2 2 335.423 1.363 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000283568279 443662463 /nfs/dbraw/zinc/66/24/63/443662463.db2.gz OGRDXYOAHWUYPG-QGZVFWFLSA-N 2 2 335.423 1.363 20 0 EDADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCN(C2CC2)C1=O ZINC000434747286 320001500 /nfs/dbraw/zinc/00/15/00/320001500.db2.gz ONFQZGHCMXEIOO-JQHSSLGASA-N 2 2 328.460 1.770 20 0 EDADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCN(C2CC2)C1=O ZINC000434747286 320001502 /nfs/dbraw/zinc/00/15/02/320001502.db2.gz ONFQZGHCMXEIOO-JQHSSLGASA-N 2 2 328.460 1.770 20 0 EDADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1CCN(C2CC2)C1=O ZINC000434747286 320001504 /nfs/dbraw/zinc/00/15/04/320001504.db2.gz ONFQZGHCMXEIOO-JQHSSLGASA-N 2 2 328.460 1.770 20 0 EDADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1CCN(C2CC2)C1=O ZINC000434747286 320001505 /nfs/dbraw/zinc/00/15/05/320001505.db2.gz ONFQZGHCMXEIOO-JQHSSLGASA-N 2 2 328.460 1.770 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000441811495 320102404 /nfs/dbraw/zinc/10/24/04/320102404.db2.gz FQDBSNHKUSUSIK-XSLAGTTESA-N 2 2 327.513 1.120 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000441811495 320102405 /nfs/dbraw/zinc/10/24/05/320102405.db2.gz FQDBSNHKUSUSIK-XSLAGTTESA-N 2 2 327.513 1.120 20 0 EDADLP COc1cc(C)ccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000449033918 320175159 /nfs/dbraw/zinc/17/51/59/320175159.db2.gz BCVADXWQZVPBFT-QGZVFWFLSA-N 2 2 331.460 1.742 20 0 EDADLP COc1cc(C)ccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000449033918 320175161 /nfs/dbraw/zinc/17/51/61/320175161.db2.gz BCVADXWQZVPBFT-QGZVFWFLSA-N 2 2 331.460 1.742 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cncn2)cc1 ZINC000453271898 320262069 /nfs/dbraw/zinc/26/20/69/320262069.db2.gz UPOGUTCGNBCVLM-YJBOKZPZSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(-n2cncn2)cc1 ZINC000453271898 320262070 /nfs/dbraw/zinc/26/20/70/320262070.db2.gz UPOGUTCGNBCVLM-YJBOKZPZSA-N 2 2 329.448 1.765 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000457445837 320326199 /nfs/dbraw/zinc/32/61/99/320326199.db2.gz VMYQZDFDBFKRRX-OAHLLOKOSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000457445837 320326200 /nfs/dbraw/zinc/32/62/00/320326200.db2.gz VMYQZDFDBFKRRX-OAHLLOKOSA-N 2 2 326.485 1.221 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457598348 320330134 /nfs/dbraw/zinc/33/01/34/320330134.db2.gz OYYVZQXUOMFUTR-INIZCTEOSA-N 2 2 345.447 1.023 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000457598348 320330135 /nfs/dbraw/zinc/33/01/35/320330135.db2.gz OYYVZQXUOMFUTR-INIZCTEOSA-N 2 2 345.447 1.023 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000457711843 320332894 /nfs/dbraw/zinc/33/28/94/320332894.db2.gz PUQUXPGJNQZVEL-HIFRSBDPSA-N 2 2 340.493 1.059 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000457711843 320332895 /nfs/dbraw/zinc/33/28/95/320332895.db2.gz PUQUXPGJNQZVEL-HIFRSBDPSA-N 2 2 340.493 1.059 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000492740292 320384200 /nfs/dbraw/zinc/38/42/00/320384200.db2.gz JRLPPZWJAMURAP-CNBITHIKSA-N 2 2 334.489 1.954 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000283757443 443709164 /nfs/dbraw/zinc/70/91/64/443709164.db2.gz AXJXRWSCCBXDGE-OAHLLOKOSA-N 2 2 349.479 1.159 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000283757443 443709167 /nfs/dbraw/zinc/70/91/67/443709167.db2.gz AXJXRWSCCBXDGE-OAHLLOKOSA-N 2 2 349.479 1.159 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000527260607 320506399 /nfs/dbraw/zinc/50/63/99/320506399.db2.gz PEZIKQGYIGKVSD-UHFFFAOYSA-N 2 2 342.447 1.281 20 0 EDADLP OC[C@H]1CCCN(c2cc(NCc3ccc4c[nH+]cn4c3)[nH+]cn2)C1 ZINC000298529305 443792484 /nfs/dbraw/zinc/79/24/84/443792484.db2.gz CJMJJPICCNQRHF-HNNXBMFYSA-N 2 2 338.415 1.945 20 0 EDADLP OC[C@H]1CCCN(c2cc(NCc3ccc4c[nH+]cn4c3)nc[nH+]2)C1 ZINC000298529305 443792489 /nfs/dbraw/zinc/79/24/89/443792489.db2.gz CJMJJPICCNQRHF-HNNXBMFYSA-N 2 2 338.415 1.945 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)[nH+]c12 ZINC000531395809 320658618 /nfs/dbraw/zinc/65/86/18/320658618.db2.gz PYLXJAMBSVSWLF-INIZCTEOSA-N 2 2 342.443 1.366 20 0 EDADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000281346752 443886427 /nfs/dbraw/zinc/88/64/27/443886427.db2.gz VBTXOCCISLIOND-HZPDHXFCSA-N 2 2 335.423 1.751 20 0 EDADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000281346752 443886431 /nfs/dbraw/zinc/88/64/31/443886431.db2.gz VBTXOCCISLIOND-HZPDHXFCSA-N 2 2 335.423 1.751 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c[nH+]1 ZINC000277040389 443892389 /nfs/dbraw/zinc/89/23/89/443892389.db2.gz LXDYLCMMZHWILX-AWEZNQCLSA-N 2 2 328.420 1.199 20 0 EDADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCCCC[NH+]1CCCCC1 ZINC000288486056 443896587 /nfs/dbraw/zinc/89/65/87/443896587.db2.gz VROYALYKRMQAEL-HNNXBMFYSA-N 2 2 333.436 1.529 20 0 EDADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCCCC[NH+]1CCCCC1 ZINC000288486056 443896593 /nfs/dbraw/zinc/89/65/93/443896593.db2.gz VROYALYKRMQAEL-HNNXBMFYSA-N 2 2 333.436 1.529 20 0 EDADLP C[NH+](C)C1(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCCC1 ZINC000540513050 320760651 /nfs/dbraw/zinc/76/06/51/320760651.db2.gz CLXGJDCLPASDCD-UHFFFAOYSA-N 2 2 346.475 1.518 20 0 EDADLP C[NH+](C)CCOc1ccc(CCNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000289029630 444037893 /nfs/dbraw/zinc/03/78/93/444037893.db2.gz JNPDWCBUXDIWQP-UHFFFAOYSA-N 2 2 330.432 1.642 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285529082 444017412 /nfs/dbraw/zinc/01/74/12/444017412.db2.gz KVBRGQKPOKJVTM-FQEVSTJZSA-N 2 2 345.487 1.737 20 0 EDADLP COCCCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285529082 444017417 /nfs/dbraw/zinc/01/74/17/444017417.db2.gz KVBRGQKPOKJVTM-FQEVSTJZSA-N 2 2 345.487 1.737 20 0 EDADLP COCCCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285529082 444017419 /nfs/dbraw/zinc/01/74/19/444017419.db2.gz KVBRGQKPOKJVTM-FQEVSTJZSA-N 2 2 345.487 1.737 20 0 EDADLP COCCCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285529082 444017424 /nfs/dbraw/zinc/01/74/24/444017424.db2.gz KVBRGQKPOKJVTM-FQEVSTJZSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000288938612 444018123 /nfs/dbraw/zinc/01/81/23/444018123.db2.gz FOOLYHDMODYIMN-VHDGCEQUSA-N 2 2 345.447 1.062 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000288938612 444018128 /nfs/dbraw/zinc/01/81/28/444018128.db2.gz FOOLYHDMODYIMN-VHDGCEQUSA-N 2 2 345.447 1.062 20 0 EDADLP CO[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000285546254 444023366 /nfs/dbraw/zinc/02/33/66/444023366.db2.gz GCVUXYUDFCAOCE-OAHLLOKOSA-N 2 2 335.448 1.424 20 0 EDADLP CO[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000285546254 444023371 /nfs/dbraw/zinc/02/33/71/444023371.db2.gz GCVUXYUDFCAOCE-OAHLLOKOSA-N 2 2 335.448 1.424 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)[C@@H]2C1 ZINC000285666949 444066137 /nfs/dbraw/zinc/06/61/37/444066137.db2.gz GURUURJBQDMIBN-MSOLQXFVSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)[C@@H]2C1 ZINC000285666949 444066138 /nfs/dbraw/zinc/06/61/38/444066138.db2.gz GURUURJBQDMIBN-MSOLQXFVSA-N 2 2 340.427 1.477 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCn3cc[nH+]c3)CC2)CC1 ZINC000561069707 321032395 /nfs/dbraw/zinc/03/23/95/321032395.db2.gz MJPJTTSNYJXSEI-UHFFFAOYSA-N 3 2 347.507 1.586 20 0 EDADLP CC(C)Oc1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000561125253 321033965 /nfs/dbraw/zinc/03/39/65/321033965.db2.gz OKVAVEJBLVWJHQ-ZBFHGGJFSA-N 2 2 334.464 1.819 20 0 EDADLP CC(C)Oc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000561125253 321033967 /nfs/dbraw/zinc/03/39/67/321033967.db2.gz OKVAVEJBLVWJHQ-ZBFHGGJFSA-N 2 2 334.464 1.819 20 0 EDADLP C[C@@](O)(C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(F)(F)F ZINC000562988779 321085343 /nfs/dbraw/zinc/08/53/43/321085343.db2.gz SKRYAIYYKRYKTP-OAHLLOKOSA-N 2 2 332.366 1.922 20 0 EDADLP CC(C)CC[C@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562989418 321085791 /nfs/dbraw/zinc/08/57/91/321085791.db2.gz KBKSILKWSLASFV-KRWDZBQOSA-N 2 2 348.491 1.507 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000563094317 321095123 /nfs/dbraw/zinc/09/51/23/321095123.db2.gz CAABNTMJPDURSW-NVXWUHKLSA-N 2 2 334.464 1.843 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000564665464 321140404 /nfs/dbraw/zinc/14/04/04/321140404.db2.gz INKJDBQMWDXNDP-QWFCFKBJSA-N 2 2 348.487 1.953 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000564665464 321140406 /nfs/dbraw/zinc/14/04/06/321140406.db2.gz INKJDBQMWDXNDP-QWFCFKBJSA-N 2 2 348.487 1.953 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000564665464 321140408 /nfs/dbraw/zinc/14/04/08/321140408.db2.gz INKJDBQMWDXNDP-QWFCFKBJSA-N 2 2 348.487 1.953 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000564665464 321140410 /nfs/dbraw/zinc/14/04/10/321140410.db2.gz INKJDBQMWDXNDP-QWFCFKBJSA-N 2 2 348.487 1.953 20 0 EDADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000564773678 321146762 /nfs/dbraw/zinc/14/67/62/321146762.db2.gz FAKYIODJPSQGEK-INMHGKMJSA-N 2 2 333.480 1.376 20 0 EDADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000564773678 321146764 /nfs/dbraw/zinc/14/67/64/321146764.db2.gz FAKYIODJPSQGEK-INMHGKMJSA-N 2 2 333.480 1.376 20 0 EDADLP O=C(C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000564822196 321149869 /nfs/dbraw/zinc/14/98/69/321149869.db2.gz HLUHGDBQQCHIEQ-SFHVURJKSA-N 2 2 346.381 1.471 20 0 EDADLP CCCCOc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000565234813 321177693 /nfs/dbraw/zinc/17/76/93/321177693.db2.gz YZDFJFOKTWOQCS-HOTGVXAUSA-N 2 2 347.459 1.618 20 0 EDADLP CCCCOc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000565234813 321177694 /nfs/dbraw/zinc/17/76/94/321177694.db2.gz YZDFJFOKTWOQCS-HOTGVXAUSA-N 2 2 347.459 1.618 20 0 EDADLP Cc1c(Br)cccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565240204 321178451 /nfs/dbraw/zinc/17/84/51/321178451.db2.gz SUAVOEWISZFCIN-GXTWGEPZSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1c(Br)cccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565240204 321178453 /nfs/dbraw/zinc/17/84/53/321178453.db2.gz SUAVOEWISZFCIN-GXTWGEPZSA-N 2 2 338.249 1.501 20 0 EDADLP CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000565361362 321183352 /nfs/dbraw/zinc/18/33/52/321183352.db2.gz NEHSXVQYTNYSFK-HFBAOOFYSA-N 2 2 330.388 1.407 20 0 EDADLP [NH3+]C1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCCCC1 ZINC000565412728 321185462 /nfs/dbraw/zinc/18/54/62/321185462.db2.gz UIGNTTDXTLNQKY-MRXNPFEDSA-N 2 2 338.496 1.544 20 0 EDADLP CNC(=O)C(C)(C)C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000565770257 321200482 /nfs/dbraw/zinc/20/04/82/321200482.db2.gz MAPNEQTYLNGFHA-CQSZACIVSA-N 2 2 332.448 1.376 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000566173770 321220723 /nfs/dbraw/zinc/22/07/23/321220723.db2.gz PWZUQADJROOVKZ-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000566173770 321220724 /nfs/dbraw/zinc/22/07/24/321220724.db2.gz PWZUQADJROOVKZ-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[NH+](C2CCCC2)CC1 ZINC000567040260 321239930 /nfs/dbraw/zinc/23/99/30/321239930.db2.gz CSPUMDHKVCFHQZ-UHFFFAOYSA-N 2 2 332.448 1.971 20 0 EDADLP CC(C)N(C)c1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567477936 321243692 /nfs/dbraw/zinc/24/36/92/321243692.db2.gz QCBDQODKNKSDPN-INIZCTEOSA-N 2 2 333.480 1.316 20 0 EDADLP CC(C)N(C)c1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567477936 321243693 /nfs/dbraw/zinc/24/36/93/321243693.db2.gz QCBDQODKNKSDPN-INIZCTEOSA-N 2 2 333.480 1.316 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(C)s1 ZINC000567646079 321250640 /nfs/dbraw/zinc/25/06/40/321250640.db2.gz SDZLJWQAIDKHDN-OCCSQVGLSA-N 2 2 345.534 1.763 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000567872993 321263878 /nfs/dbraw/zinc/26/38/78/321263878.db2.gz LKWQMYLKYQQAPM-HUUCEWRRSA-N 2 2 342.867 1.516 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000567872993 321263880 /nfs/dbraw/zinc/26/38/80/321263880.db2.gz LKWQMYLKYQQAPM-HUUCEWRRSA-N 2 2 342.867 1.516 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)C[C@@H](C)O1 ZINC000567873589 321264003 /nfs/dbraw/zinc/26/40/03/321264003.db2.gz ZKOZVQRERQCWMU-BDUQCRIQSA-N 2 2 348.487 1.212 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567889432 321265792 /nfs/dbraw/zinc/26/57/92/321265792.db2.gz XKDYOATUFXOVMP-LJQANCHMSA-N 2 2 344.459 1.402 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567889432 321265794 /nfs/dbraw/zinc/26/57/94/321265794.db2.gz XKDYOATUFXOVMP-LJQANCHMSA-N 2 2 344.459 1.402 20 0 EDADLP Cn1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(-c2ccccc2)n1 ZINC000568381661 321288553 /nfs/dbraw/zinc/28/85/53/321288553.db2.gz ZWAOECLDNVEIDN-PKOBYXMFSA-N 2 2 326.444 1.944 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000569837155 321330136 /nfs/dbraw/zinc/33/01/36/321330136.db2.gz JZPQHRRDYDDTIK-MSOLQXFVSA-N 2 2 336.476 1.744 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000569837155 321330137 /nfs/dbraw/zinc/33/01/37/321330137.db2.gz JZPQHRRDYDDTIK-MSOLQXFVSA-N 2 2 336.476 1.744 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000569967591 321332523 /nfs/dbraw/zinc/33/25/23/321332523.db2.gz QPCAYBKEZURPRS-HNNXBMFYSA-N 2 2 349.385 1.483 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2cc(F)ccc2Br)[C@@H](C[NH3+])C1 ZINC000570210791 321340931 /nfs/dbraw/zinc/34/09/31/321340931.db2.gz VYLTVSKSRPVMDH-LBPRGKRZSA-N 2 2 344.228 1.232 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2cc(F)ccc2Br)[C@@H](C[NH3+])C1 ZINC000570210791 321340932 /nfs/dbraw/zinc/34/09/32/321340932.db2.gz VYLTVSKSRPVMDH-LBPRGKRZSA-N 2 2 344.228 1.232 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570544863 321346771 /nfs/dbraw/zinc/34/67/71/321346771.db2.gz OJSYYSJBWOOHID-MSOLQXFVSA-N 3 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570544863 321346773 /nfs/dbraw/zinc/34/67/73/321346773.db2.gz OJSYYSJBWOOHID-MSOLQXFVSA-N 3 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1ccnc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570544863 321346774 /nfs/dbraw/zinc/34/67/74/321346774.db2.gz OJSYYSJBWOOHID-MSOLQXFVSA-N 2 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1ccnc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570544863 321346775 /nfs/dbraw/zinc/34/67/75/321346775.db2.gz OJSYYSJBWOOHID-MSOLQXFVSA-N 2 2 347.507 1.679 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[C@H]([NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000301237635 444157337 /nfs/dbraw/zinc/15/73/37/444157337.db2.gz IJXOHFGTSVVPMR-IRXDYDNUSA-N 2 2 345.491 1.750 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1)c1ccccc1 ZINC000289498630 444159332 /nfs/dbraw/zinc/15/93/32/444159332.db2.gz ZUFVSEVWTHKZTE-MAUKXSAKSA-N 2 2 331.460 1.426 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1)c1ccccc1 ZINC000289498630 444159336 /nfs/dbraw/zinc/15/93/36/444159336.db2.gz ZUFVSEVWTHKZTE-MAUKXSAKSA-N 2 2 331.460 1.426 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1)c1ccccc1 ZINC000289498630 444159339 /nfs/dbraw/zinc/15/93/39/444159339.db2.gz ZUFVSEVWTHKZTE-MAUKXSAKSA-N 2 2 331.460 1.426 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1)c1ccccc1 ZINC000289498630 444159342 /nfs/dbraw/zinc/15/93/42/444159342.db2.gz ZUFVSEVWTHKZTE-MAUKXSAKSA-N 2 2 331.460 1.426 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000294930125 444159489 /nfs/dbraw/zinc/15/94/89/444159489.db2.gz DDRSAAFHRXBHEC-QAPCUYQASA-N 2 2 331.460 1.187 20 0 EDADLP C[NH+](C)[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)Cc1ccccc1 ZINC000301296800 444161970 /nfs/dbraw/zinc/16/19/70/444161970.db2.gz SDGHFNYSLRIHAD-QGZVFWFLSA-N 2 2 341.459 1.898 20 0 EDADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000289866048 444213394 /nfs/dbraw/zinc/21/33/94/444213394.db2.gz GTKKDGYNUBOJAQ-DLBZAZTESA-N 2 2 341.459 1.367 20 0 EDADLP CS[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000296305539 444219241 /nfs/dbraw/zinc/21/92/41/444219241.db2.gz NVACEAWGQSBRFH-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP CS[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000296305539 444219244 /nfs/dbraw/zinc/21/92/44/444219244.db2.gz NVACEAWGQSBRFH-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301613327 444182019 /nfs/dbraw/zinc/18/20/19/444182019.db2.gz TVUZVMSHFWSKGV-OAGGEKHMSA-N 2 2 333.480 1.826 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301613327 444182020 /nfs/dbraw/zinc/18/20/20/444182020.db2.gz TVUZVMSHFWSKGV-OAGGEKHMSA-N 2 2 333.480 1.826 20 0 EDADLP C[N@H+](CCCO)C1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301905739 444195595 /nfs/dbraw/zinc/19/55/95/444195595.db2.gz YTNLAYQGMHWUTF-UHFFFAOYSA-N 2 2 346.479 1.864 20 0 EDADLP C[N@@H+](CCCO)C1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301905739 444195597 /nfs/dbraw/zinc/19/55/97/444195597.db2.gz YTNLAYQGMHWUTF-UHFFFAOYSA-N 2 2 346.479 1.864 20 0 EDADLP Cc1ccc([C@H](CNc2cc[nH+]cc2C(N)=O)[NH+]2CCOCC2)o1 ZINC000302026513 444201387 /nfs/dbraw/zinc/20/13/87/444201387.db2.gz LDYWETFAVYWADR-HNNXBMFYSA-N 2 2 330.388 1.567 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000296699253 444248971 /nfs/dbraw/zinc/24/89/71/444248971.db2.gz DYYQVKHAGGCFQZ-GOSISDBHSA-N 2 2 343.471 1.966 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000296699253 444248972 /nfs/dbraw/zinc/24/89/72/444248972.db2.gz DYYQVKHAGGCFQZ-GOSISDBHSA-N 2 2 343.471 1.966 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000290193409 444253211 /nfs/dbraw/zinc/25/32/11/444253211.db2.gz CHVZJTLTCGRXSS-UHFFFAOYSA-N 2 2 340.427 1.328 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000290211855 444254572 /nfs/dbraw/zinc/25/45/72/444254572.db2.gz SDLHJOZOEOFTNJ-ROUUACIJSA-N 2 2 330.476 1.761 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H]1CCCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000303985818 444238972 /nfs/dbraw/zinc/23/89/72/444238972.db2.gz UAVDRYWRUORVBI-QGZVFWFLSA-N 2 2 346.475 1.357 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H]1CCCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000303985818 444238974 /nfs/dbraw/zinc/23/89/74/444238974.db2.gz UAVDRYWRUORVBI-QGZVFWFLSA-N 2 2 346.475 1.357 20 0 EDADLP CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000290655478 444306914 /nfs/dbraw/zinc/30/69/14/444306914.db2.gz NVPSJHLZHPZDEW-UHFFFAOYSA-N 2 2 343.475 1.545 20 0 EDADLP CN(C)CC[N@@H+](C)CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000290655478 444306915 /nfs/dbraw/zinc/30/69/15/444306915.db2.gz NVPSJHLZHPZDEW-UHFFFAOYSA-N 2 2 343.475 1.545 20 0 EDADLP CN(CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)CC[NH+](C)C ZINC000290655478 444306918 /nfs/dbraw/zinc/30/69/18/444306918.db2.gz NVPSJHLZHPZDEW-UHFFFAOYSA-N 2 2 343.475 1.545 20 0 EDADLP CN(C)c1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ncn1 ZINC000290682348 444310508 /nfs/dbraw/zinc/31/05/08/444310508.db2.gz MAMJJOCTYVNIQA-UHFFFAOYSA-N 2 2 349.483 1.032 20 0 EDADLP CN(C)c1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ncn1 ZINC000290682348 444310509 /nfs/dbraw/zinc/31/05/09/444310509.db2.gz MAMJJOCTYVNIQA-UHFFFAOYSA-N 2 2 349.483 1.032 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@H]21 ZINC000305756544 444278453 /nfs/dbraw/zinc/27/84/53/444278453.db2.gz AIMQYKGYEJKSAB-INDMIFKZSA-N 2 2 330.472 1.809 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@H]21 ZINC000305756544 444278454 /nfs/dbraw/zinc/27/84/54/444278454.db2.gz AIMQYKGYEJKSAB-INDMIFKZSA-N 2 2 330.472 1.809 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000324740164 444357889 /nfs/dbraw/zinc/35/78/89/444357889.db2.gz MWFKMTKJLXQSJY-INIZCTEOSA-N 2 2 331.460 1.525 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000297923322 444358558 /nfs/dbraw/zinc/35/85/58/444358558.db2.gz ULAUXEFBIDTHGA-UHFFFAOYSA-N 2 2 345.422 1.269 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000340505320 444414180 /nfs/dbraw/zinc/41/41/80/444414180.db2.gz GVHHJGBXSIFGEA-MOPGFXCFSA-N 2 2 343.475 1.937 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000340505320 444414183 /nfs/dbraw/zinc/41/41/83/444414183.db2.gz GVHHJGBXSIFGEA-MOPGFXCFSA-N 2 2 343.475 1.937 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000337816194 444420567 /nfs/dbraw/zinc/42/05/67/444420567.db2.gz QSRHCPRRXGWBCY-INIZCTEOSA-N 3 2 339.528 1.044 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000337816194 444420572 /nfs/dbraw/zinc/42/05/72/444420572.db2.gz QSRHCPRRXGWBCY-INIZCTEOSA-N 3 2 339.528 1.044 20 0 EDADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000578979701 321862556 /nfs/dbraw/zinc/86/25/56/321862556.db2.gz TVAMDGUNNBULNU-ZWKOTPCHSA-N 2 2 346.475 1.063 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000580080091 322007452 /nfs/dbraw/zinc/00/74/52/322007452.db2.gz PLNUUULWDNNNQE-DZGCQCFKSA-N 2 2 326.404 1.267 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000580541023 322063805 /nfs/dbraw/zinc/06/38/05/322063805.db2.gz JRPICAZWMOKSCK-INIZCTEOSA-N 2 2 346.475 1.217 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000580541023 322063807 /nfs/dbraw/zinc/06/38/07/322063807.db2.gz JRPICAZWMOKSCK-INIZCTEOSA-N 2 2 346.475 1.217 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000580655824 322078966 /nfs/dbraw/zinc/07/89/66/322078966.db2.gz FSFSUOHOJGZNJH-UHFFFAOYSA-N 2 2 338.415 1.560 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000580702100 322083835 /nfs/dbraw/zinc/08/38/35/322083835.db2.gz AUAMZGUTHCVIBK-ZWKOTPCHSA-N 2 2 335.407 1.628 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873130 322105946 /nfs/dbraw/zinc/10/59/46/322105946.db2.gz QDJGWJCXJWLPKK-IYWMVGAKSA-N 3 2 329.488 1.838 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873130 322105949 /nfs/dbraw/zinc/10/59/49/322105949.db2.gz QDJGWJCXJWLPKK-IYWMVGAKSA-N 3 2 329.488 1.838 20 0 EDADLP C[NH+]1CC[C@@](O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000580873130 322105951 /nfs/dbraw/zinc/10/59/51/322105951.db2.gz QDJGWJCXJWLPKK-IYWMVGAKSA-N 3 2 329.488 1.838 20 0 EDADLP C[NH+]1CC[C@@](O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000580873130 322105953 /nfs/dbraw/zinc/10/59/53/322105953.db2.gz QDJGWJCXJWLPKK-IYWMVGAKSA-N 3 2 329.488 1.838 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000580941443 322114680 /nfs/dbraw/zinc/11/46/80/322114680.db2.gz LUYGDBZVGZKJHH-GFCCVEGCSA-N 2 2 348.344 1.629 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000580941443 322114682 /nfs/dbraw/zinc/11/46/82/322114682.db2.gz LUYGDBZVGZKJHH-GFCCVEGCSA-N 2 2 348.344 1.629 20 0 EDADLP Cn1cc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2=O)cn1 ZINC000580959259 322118104 /nfs/dbraw/zinc/11/81/04/322118104.db2.gz VGAYYUWFPBIOHC-GOSISDBHSA-N 2 2 345.491 1.912 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000581061404 322130146 /nfs/dbraw/zinc/13/01/46/322130146.db2.gz ZLCXNDGTHUTEGD-OAHLLOKOSA-N 2 2 333.411 1.947 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000581258529 322156479 /nfs/dbraw/zinc/15/64/79/322156479.db2.gz DZKZHPMDCRVRBF-KRWDZBQOSA-N 2 2 344.459 1.170 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000332523244 444518328 /nfs/dbraw/zinc/51/83/28/444518328.db2.gz AVWDIJPVTFGGOS-HLLBOEOZSA-N 2 2 331.464 1.610 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc[nH+]1 ZINC000329298343 444525764 /nfs/dbraw/zinc/52/57/64/444525764.db2.gz UHAXONHTWQIRJW-GFOFROLCSA-N 2 2 331.464 1.890 20 0 EDADLP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000343748767 444563139 /nfs/dbraw/zinc/56/31/39/444563139.db2.gz WORIKQHNRFCFSW-CJNGLKHVSA-N 2 2 341.477 1.129 20 0 EDADLP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000343748767 444563142 /nfs/dbraw/zinc/56/31/42/444563142.db2.gz WORIKQHNRFCFSW-CJNGLKHVSA-N 2 2 341.477 1.129 20 0 EDADLP COC(=O)[C@@](C)(O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000343748767 444563144 /nfs/dbraw/zinc/56/31/44/444563144.db2.gz WORIKQHNRFCFSW-CJNGLKHVSA-N 2 2 341.477 1.129 20 0 EDADLP COC(=O)[C@@](C)(O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000343748767 444563148 /nfs/dbraw/zinc/56/31/48/444563148.db2.gz WORIKQHNRFCFSW-CJNGLKHVSA-N 2 2 341.477 1.129 20 0 EDADLP CC[C@H](C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[NH+](C)C ZINC000338207116 444563661 /nfs/dbraw/zinc/56/36/61/444563661.db2.gz QABNCEOKBOYYLP-OAHLLOKOSA-N 2 2 331.420 1.678 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC000340898980 444564575 /nfs/dbraw/zinc/56/45/75/444564575.db2.gz HXPVOQWQNLLYPV-NUJGCVRESA-N 2 2 331.460 1.347 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC000340898980 444564577 /nfs/dbraw/zinc/56/45/77/444564577.db2.gz HXPVOQWQNLLYPV-NUJGCVRESA-N 2 2 331.460 1.347 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000338240876 444583212 /nfs/dbraw/zinc/58/32/12/444583212.db2.gz YRNIYVDSESCDJP-IBGZPJMESA-N 2 2 335.467 1.793 20 0 EDADLP C[C@H]1C(=O)CC[C@H]1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000332946071 444606544 /nfs/dbraw/zinc/60/65/44/444606544.db2.gz OXFRCKXREREVJD-CABCVRRESA-N 2 2 335.492 1.667 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2CCC[C@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000333216772 444647962 /nfs/dbraw/zinc/64/79/62/444647962.db2.gz CRDQECPAARJTMF-CVEARBPZSA-N 2 2 331.464 2.132 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)[nH+]cn1 ZINC000333895184 444711402 /nfs/dbraw/zinc/71/14/02/444711402.db2.gz YCOCVGDFKVYUIZ-BBWFWOEESA-N 2 2 345.491 1.654 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc[nH+]1 ZINC000333895184 444711404 /nfs/dbraw/zinc/71/14/04/444711404.db2.gz YCOCVGDFKVYUIZ-BBWFWOEESA-N 2 2 345.491 1.654 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C[C@@H]1[NH3+] ZINC000333620698 444685411 /nfs/dbraw/zinc/68/54/11/444685411.db2.gz RQAPNPMSKACHFR-CXOGBFNASA-N 2 2 338.402 1.699 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C[C@@H]1[NH3+] ZINC000333620698 444685415 /nfs/dbraw/zinc/68/54/15/444685415.db2.gz RQAPNPMSKACHFR-CXOGBFNASA-N 2 2 338.402 1.699 20 0 EDADLP C[C@@H](CCn1cccn1)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341282851 444760756 /nfs/dbraw/zinc/76/07/56/444760756.db2.gz ONWFLLKYPKGPPX-GJZGRUSLSA-N 2 2 330.436 1.176 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C2CC(OC(C)(C)C)C2)C1=O ZINC000341300207 444767790 /nfs/dbraw/zinc/76/77/90/444767790.db2.gz LFJJXVKPPUVQSC-YMAMQOFZSA-N 2 2 334.464 1.847 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000336856644 444805104 /nfs/dbraw/zinc/80/51/04/444805104.db2.gz NJBROYSTVBNUQX-ZIAGYGMSSA-N 2 2 326.466 1.261 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000336856644 444805107 /nfs/dbraw/zinc/80/51/07/444805107.db2.gz NJBROYSTVBNUQX-ZIAGYGMSSA-N 2 2 326.466 1.261 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000336870035 444814238 /nfs/dbraw/zinc/81/42/38/444814238.db2.gz GZGOLVZVRKOJHG-CVEARBPZSA-N 2 2 341.477 1.250 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000336870035 444814246 /nfs/dbraw/zinc/81/42/46/444814246.db2.gz GZGOLVZVRKOJHG-CVEARBPZSA-N 2 2 341.477 1.250 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000344111352 444786784 /nfs/dbraw/zinc/78/67/84/444786784.db2.gz XLTKAYDHACCFPC-TWMKSMIVSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000344111352 444786787 /nfs/dbraw/zinc/78/67/87/444786787.db2.gz XLTKAYDHACCFPC-TWMKSMIVSA-N 2 2 328.460 1.897 20 0 EDADLP Cc1nc(C)n(C[C@@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)n1 ZINC000336878786 444826257 /nfs/dbraw/zinc/82/62/57/444826257.db2.gz IRDPKDFJLOTPGF-KRWDZBQOSA-N 2 2 332.452 1.581 20 0 EDADLP Cc1nc(C)n(C[C@@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)n1 ZINC000336878786 444826263 /nfs/dbraw/zinc/82/62/63/444826263.db2.gz IRDPKDFJLOTPGF-KRWDZBQOSA-N 2 2 332.452 1.581 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CC[NH2+]CC3(F)F)CC2)c1 ZINC000342721794 444835113 /nfs/dbraw/zinc/83/51/13/444835113.db2.gz AKJJOLYMLZBEJR-INIZCTEOSA-N 2 2 337.414 1.884 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)C2=O)cn1 ZINC000336895401 444839758 /nfs/dbraw/zinc/83/97/58/444839758.db2.gz YSFYTBSBSNXTFV-FUHWJXTLSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)C2=O)cn1 ZINC000336895401 444839761 /nfs/dbraw/zinc/83/97/61/444839761.db2.gz YSFYTBSBSNXTFV-FUHWJXTLSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)C2=O)cn1 ZINC000336895401 444839764 /nfs/dbraw/zinc/83/97/64/444839764.db2.gz YSFYTBSBSNXTFV-FUHWJXTLSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)C2=O)cn1 ZINC000336895401 444839766 /nfs/dbraw/zinc/83/97/66/444839766.db2.gz YSFYTBSBSNXTFV-FUHWJXTLSA-N 2 2 345.491 1.579 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000342756450 444850805 /nfs/dbraw/zinc/85/08/05/444850805.db2.gz RWVCPVAWYIBEIC-UHFFFAOYSA-N 2 2 343.471 1.584 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000342756450 444850807 /nfs/dbraw/zinc/85/08/07/444850807.db2.gz RWVCPVAWYIBEIC-UHFFFAOYSA-N 2 2 343.471 1.584 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[NH2+]CC1(F)F ZINC000342764474 444854831 /nfs/dbraw/zinc/85/48/31/444854831.db2.gz IDIBEHLXEYBBTE-GFCCVEGCSA-N 2 2 338.333 1.872 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000342767445 444857315 /nfs/dbraw/zinc/85/73/15/444857315.db2.gz CHEPEGCUFGHSRV-IBGZPJMESA-N 2 2 328.460 1.797 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000342767445 444857321 /nfs/dbraw/zinc/85/73/21/444857321.db2.gz CHEPEGCUFGHSRV-IBGZPJMESA-N 2 2 328.460 1.797 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(=O)NC2CCCCC2)CC1 ZINC000342800834 444872237 /nfs/dbraw/zinc/87/22/37/444872237.db2.gz ZOYGQXLYSHVQHI-UHFFFAOYSA-N 2 2 339.480 1.443 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000341546476 444886391 /nfs/dbraw/zinc/88/63/91/444886391.db2.gz IDMKEZYGURRERI-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000341546476 444886393 /nfs/dbraw/zinc/88/63/93/444886393.db2.gz IDMKEZYGURRERI-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341546476 444886397 /nfs/dbraw/zinc/88/63/97/444886397.db2.gz IDMKEZYGURRERI-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000341592829 444911418 /nfs/dbraw/zinc/91/14/18/444911418.db2.gz NSBBDXJGIOLBKK-AEFFLSMTSA-N 2 2 333.476 1.434 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000341592829 444911421 /nfs/dbraw/zinc/91/14/21/444911421.db2.gz NSBBDXJGIOLBKK-AEFFLSMTSA-N 2 2 333.476 1.434 20 0 EDADLP Cn1c2ccccc2cc(C[NH+]2CCC([NH+]3CCOCC3)CC2)c1=O ZINC000625545121 450420213 /nfs/dbraw/zinc/42/02/13/450420213.db2.gz NFGLVQATMZUPIE-UHFFFAOYSA-N 2 2 341.455 1.835 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000330441022 444981966 /nfs/dbraw/zinc/98/19/66/444981966.db2.gz RWXFPENZTGNSBF-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000330441022 444981972 /nfs/dbraw/zinc/98/19/72/444981972.db2.gz RWXFPENZTGNSBF-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP Cc1nc2[nH]ccc2c(NC[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[nH+]1 ZINC000344463767 444991697 /nfs/dbraw/zinc/99/16/97/444991697.db2.gz YXWHURIYZHBHAB-CZUORRHYSA-N 2 2 339.447 2.495 20 0 EDADLP Cc1nc2[nH]ccc2c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[nH+]1 ZINC000344463767 444991700 /nfs/dbraw/zinc/99/17/00/444991700.db2.gz YXWHURIYZHBHAB-CZUORRHYSA-N 2 2 339.447 2.495 20 0 EDADLP CC[C@@H](C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(=O)OC ZINC000337239748 445000010 /nfs/dbraw/zinc/00/00/10/445000010.db2.gz MWHHIPRSHNVPAA-CYBMUJFWSA-N 2 2 325.453 1.003 20 0 EDADLP CC[C@@H](C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(=O)OC ZINC000337239748 445000014 /nfs/dbraw/zinc/00/00/14/445000014.db2.gz MWHHIPRSHNVPAA-CYBMUJFWSA-N 2 2 325.453 1.003 20 0 EDADLP COc1cccc([C@@H](CNC(=O)N(C)Cc2[nH+]ccn2C)[NH+](C)C)c1 ZINC000341808089 445011289 /nfs/dbraw/zinc/01/12/89/445011289.db2.gz OCHMRRCLXWVJFW-MRXNPFEDSA-N 2 2 345.447 1.873 20 0 EDADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCN4CCOC[C@@H]4C3)C2)cc1 ZINC000341909947 445066570 /nfs/dbraw/zinc/06/65/70/445066570.db2.gz NBQUAVKQOIDBRA-VQTJNVASSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCN4CCOC[C@@H]4C3)C2)cc1 ZINC000341909947 445066575 /nfs/dbraw/zinc/06/65/75/445066575.db2.gz NBQUAVKQOIDBRA-VQTJNVASSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCN4CCOC[C@@H]4C3)C2)cc1 ZINC000341909947 445066578 /nfs/dbraw/zinc/06/65/78/445066578.db2.gz NBQUAVKQOIDBRA-VQTJNVASSA-N 2 2 345.487 1.294 20 0 EDADLP CC[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339256039 445118349 /nfs/dbraw/zinc/11/83/49/445118349.db2.gz MYRYBXXOEDYXJU-BRWVUGGUSA-N 2 2 327.513 1.968 20 0 EDADLP CC[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339256039 445118350 /nfs/dbraw/zinc/11/83/50/445118350.db2.gz MYRYBXXOEDYXJU-BRWVUGGUSA-N 2 2 327.513 1.968 20 0 EDADLP CCCCNc1cc(NCC2([NH+]3CCCC3)CCOCC2)nc(N)[nH+]1 ZINC000342011124 445122753 /nfs/dbraw/zinc/12/27/53/445122753.db2.gz REASORZWQDIITQ-UHFFFAOYSA-N 2 2 348.495 1.750 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000345296391 445177975 /nfs/dbraw/zinc/17/79/75/445177975.db2.gz FXDYKSGOTADDPO-LJGDNWOOSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000345296391 445177978 /nfs/dbraw/zinc/17/79/78/445177978.db2.gz FXDYKSGOTADDPO-LJGDNWOOSA-N 2 2 331.464 1.154 20 0 EDADLP Cc1ncc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c(=O)[nH]1 ZINC000342122291 445184058 /nfs/dbraw/zinc/18/40/58/445184058.db2.gz BHBDVWXRKXFZCP-UHFFFAOYSA-N 2 2 334.343 1.627 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000345452126 445186788 /nfs/dbraw/zinc/18/67/88/445186788.db2.gz OKYDODWJEIFSCG-AIANPOQGSA-N 2 2 336.480 1.116 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000345452126 445186791 /nfs/dbraw/zinc/18/67/91/445186791.db2.gz OKYDODWJEIFSCG-AIANPOQGSA-N 2 2 336.480 1.116 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000343402568 445216450 /nfs/dbraw/zinc/21/64/50/445216450.db2.gz XUDVOJDMHSCOPK-MAUKXSAKSA-N 2 2 329.448 1.996 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000343402568 445216451 /nfs/dbraw/zinc/21/64/51/445216451.db2.gz XUDVOJDMHSCOPK-MAUKXSAKSA-N 2 2 329.448 1.996 20 0 EDADLP Cc1noc(C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c2ccccc2)n1 ZINC000351637499 445252441 /nfs/dbraw/zinc/25/24/41/445252441.db2.gz VPNNXAPSZVPUHC-SJORKVTESA-N 2 2 330.432 1.707 20 0 EDADLP Cc1noc(C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c2ccccc2)n1 ZINC000351637499 445252446 /nfs/dbraw/zinc/25/24/46/445252446.db2.gz VPNNXAPSZVPUHC-SJORKVTESA-N 2 2 330.432 1.707 20 0 EDADLP CN(CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348181660 445307201 /nfs/dbraw/zinc/30/72/01/445307201.db2.gz REFCZUUNQMGRJG-QGZVFWFLSA-N 2 2 346.475 1.092 20 0 EDADLP CN(CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000348181660 445307204 /nfs/dbraw/zinc/30/72/04/445307204.db2.gz REFCZUUNQMGRJG-QGZVFWFLSA-N 2 2 346.475 1.092 20 0 EDADLP OCCOC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000351751591 445308062 /nfs/dbraw/zinc/30/80/62/445308062.db2.gz JYXFQQCECSQNEI-UHFFFAOYSA-N 2 2 347.503 1.672 20 0 EDADLP Cn1cc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)cn1 ZINC000348216627 445319370 /nfs/dbraw/zinc/31/93/70/445319370.db2.gz DGHVKSDGVQJEAK-WMZOPIPTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)cn1 ZINC000348216627 445319371 /nfs/dbraw/zinc/31/93/71/445319371.db2.gz DGHVKSDGVQJEAK-WMZOPIPTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cn1 ZINC000348216627 445319372 /nfs/dbraw/zinc/31/93/72/445319372.db2.gz DGHVKSDGVQJEAK-WMZOPIPTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cn1 ZINC000348216627 445319373 /nfs/dbraw/zinc/31/93/73/445319373.db2.gz DGHVKSDGVQJEAK-WMZOPIPTSA-N 2 2 330.480 1.711 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2ccn(C)n2)cc[nH+]1 ZINC000348165760 445298791 /nfs/dbraw/zinc/29/87/91/445298791.db2.gz IVMNZJBDSXXFIY-HIFRSBDPSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2ccn(C)n2)cc[nH+]1 ZINC000348165760 445298796 /nfs/dbraw/zinc/29/87/96/445298796.db2.gz IVMNZJBDSXXFIY-HIFRSBDPSA-N 2 2 347.442 1.325 20 0 EDADLP C[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C(N)=O)C1 ZINC000351822870 445333703 /nfs/dbraw/zinc/33/37/03/445333703.db2.gz YRZIKQHUVFDRQM-HKUYNNGSSA-N 2 2 344.503 1.785 20 0 EDADLP C[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C(N)=O)C1 ZINC000351822870 445333707 /nfs/dbraw/zinc/33/37/07/445333707.db2.gz YRZIKQHUVFDRQM-HKUYNNGSSA-N 2 2 344.503 1.785 20 0 EDADLP COCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351854453 445344525 /nfs/dbraw/zinc/34/45/25/445344525.db2.gz GROWJCJWTDQASI-UHFFFAOYSA-N 2 2 333.476 1.689 20 0 EDADLP COCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351854453 445344527 /nfs/dbraw/zinc/34/45/27/445344527.db2.gz GROWJCJWTDQASI-UHFFFAOYSA-N 2 2 333.476 1.689 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000357072693 445408445 /nfs/dbraw/zinc/40/84/45/445408445.db2.gz HNZOFCXKDLOAEV-MSOLQXFVSA-N 2 2 329.488 1.812 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000357072693 445408449 /nfs/dbraw/zinc/40/84/49/445408449.db2.gz HNZOFCXKDLOAEV-MSOLQXFVSA-N 2 2 329.488 1.812 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2nc(C3CC3)no2)C1 ZINC000362500385 445413136 /nfs/dbraw/zinc/41/31/36/445413136.db2.gz ALWLXPIWOBSITD-ZDUSSCGKSA-N 2 2 344.419 1.403 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2nc(C3CC3)no2)C1 ZINC000362500385 445413142 /nfs/dbraw/zinc/41/31/42/445413142.db2.gz ALWLXPIWOBSITD-ZDUSSCGKSA-N 2 2 344.419 1.403 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357083420 445416415 /nfs/dbraw/zinc/41/64/15/445416415.db2.gz PFMFODHAXAZUCF-SJORKVTESA-N 2 2 331.460 1.455 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357083420 445416420 /nfs/dbraw/zinc/41/64/20/445416420.db2.gz PFMFODHAXAZUCF-SJORKVTESA-N 2 2 331.460 1.455 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000348858884 445418170 /nfs/dbraw/zinc/41/81/70/445418170.db2.gz HFTZCOHAODUNOX-IEBWSBKVSA-N 2 2 342.443 1.791 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000348858884 445418177 /nfs/dbraw/zinc/41/81/77/445418177.db2.gz HFTZCOHAODUNOX-IEBWSBKVSA-N 2 2 342.443 1.791 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000362523835 445423234 /nfs/dbraw/zinc/42/32/34/445423234.db2.gz GNXHLOMEAIGYPM-UHFFFAOYSA-N 2 2 343.874 1.959 20 0 EDADLP COCC[NH+]1CCC(NC(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000355758201 445477251 /nfs/dbraw/zinc/47/72/51/445477251.db2.gz NFXJNXDPMJJDNI-UHFFFAOYSA-N 2 2 344.459 1.962 20 0 EDADLP CC(C)COCCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354950169 445436084 /nfs/dbraw/zinc/43/60/84/445436084.db2.gz UKKIKRPKADBMMC-MRXNPFEDSA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)COCCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354950169 445436086 /nfs/dbraw/zinc/43/60/86/445436086.db2.gz UKKIKRPKADBMMC-MRXNPFEDSA-N 2 2 325.497 1.676 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000348943583 445450213 /nfs/dbraw/zinc/45/02/13/445450213.db2.gz YRVDESAJQCOYHK-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000348943583 445450219 /nfs/dbraw/zinc/45/02/19/445450219.db2.gz YRVDESAJQCOYHK-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1COCC[NH+]1C1CCCC1 ZINC000357149806 445455669 /nfs/dbraw/zinc/45/56/69/445455669.db2.gz BJGUVOONCXMNKM-QZTJIDSGSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1COCC[NH+]1C1CCCC1 ZINC000357149806 445455676 /nfs/dbraw/zinc/45/56/76/445455676.db2.gz BJGUVOONCXMNKM-QZTJIDSGSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000357149806 445455683 /nfs/dbraw/zinc/45/56/83/445455683.db2.gz BJGUVOONCXMNKM-QZTJIDSGSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000357149806 445455686 /nfs/dbraw/zinc/45/56/86/445455686.db2.gz BJGUVOONCXMNKM-QZTJIDSGSA-N 2 2 335.492 1.763 20 0 EDADLP Cc1nc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000359846019 445457929 /nfs/dbraw/zinc/45/79/29/445457929.db2.gz CXRNJQUHODEULG-KRWDZBQOSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000359846019 445457932 /nfs/dbraw/zinc/45/79/32/445457932.db2.gz CXRNJQUHODEULG-KRWDZBQOSA-N 2 2 340.475 2.569 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)C[C@H](C)O1 ZINC000348986117 445465759 /nfs/dbraw/zinc/46/57/59/445465759.db2.gz BEQPCUMORJATMZ-GASCZTMLSA-N 2 2 347.459 1.613 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)C[C@H](C)O1 ZINC000348986117 445465764 /nfs/dbraw/zinc/46/57/64/445465764.db2.gz BEQPCUMORJATMZ-GASCZTMLSA-N 2 2 347.459 1.613 20 0 EDADLP O=C(CCOC1C[NH2+]C1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000348989937 445467639 /nfs/dbraw/zinc/46/76/39/445467639.db2.gz KQCKWSMMYHAQFV-UHFFFAOYSA-N 2 2 330.388 1.279 20 0 EDADLP COc1ccc([C@H](NC(=O)CCOC2C[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000349000969 445471500 /nfs/dbraw/zinc/47/15/00/445471500.db2.gz NNGNLXGYIFVCER-KRWDZBQOSA-N 2 2 344.415 1.013 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000349277393 445552909 /nfs/dbraw/zinc/55/29/09/445552909.db2.gz BVIXGOXPRWUWEX-MRXNPFEDSA-N 2 2 330.432 1.907 20 0 EDADLP C[C@@H]1CN(Cc2ccn(C(F)F)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349298310 445557646 /nfs/dbraw/zinc/55/76/46/445557646.db2.gz OXDGPQUIFNCEFR-CYBMUJFWSA-N 2 2 327.423 1.879 20 0 EDADLP C[C@@H]1CN(Cc2ccn(C(F)F)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349298310 445557652 /nfs/dbraw/zinc/55/76/52/445557652.db2.gz OXDGPQUIFNCEFR-CYBMUJFWSA-N 2 2 327.423 1.879 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000360117135 445576060 /nfs/dbraw/zinc/57/60/60/445576060.db2.gz BTJRSFZBKKQLTC-QGZVFWFLSA-N 2 2 341.544 1.386 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000356110122 445626351 /nfs/dbraw/zinc/62/63/51/445626351.db2.gz BJZXPRYNEOHDFX-UHFFFAOYSA-N 2 2 332.367 2.564 20 0 EDADLP O[C@@H](COc1ccc(F)cc1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625555374 450425818 /nfs/dbraw/zinc/42/58/18/450425818.db2.gz USJNMYVEJOQJOI-QGZVFWFLSA-N 2 2 338.423 1.362 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000349673036 445642632 /nfs/dbraw/zinc/64/26/32/445642632.db2.gz VPWLKMRVLPHLOS-UHFFFAOYSA-N 2 2 325.428 1.011 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000353396572 445592892 /nfs/dbraw/zinc/59/28/92/445592892.db2.gz SEJQXTXAHHSNMG-RISCZKNCSA-N 2 2 328.407 1.817 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360233495 445646082 /nfs/dbraw/zinc/64/60/82/445646082.db2.gz ICXJYHZQKGBKMM-INIZCTEOSA-N 2 2 337.493 1.384 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000358658187 445697573 /nfs/dbraw/zinc/69/75/73/445697573.db2.gz UWUBZSVUISJSQV-RTBURBONSA-N 2 2 347.503 1.985 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358669729 445705524 /nfs/dbraw/zinc/70/55/24/445705524.db2.gz ZWZZBLBBUDVDRP-SFHVURJKSA-N 2 2 345.447 1.101 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358669729 445705529 /nfs/dbraw/zinc/70/55/29/445705529.db2.gz ZWZZBLBBUDVDRP-SFHVURJKSA-N 2 2 345.447 1.101 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000358698947 445724711 /nfs/dbraw/zinc/72/47/11/445724711.db2.gz XHSKCEBGLBANDL-NJAFHUGGSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000358698947 445724715 /nfs/dbraw/zinc/72/47/15/445724715.db2.gz XHSKCEBGLBANDL-NJAFHUGGSA-N 2 2 331.460 1.392 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000356314134 445730748 /nfs/dbraw/zinc/73/07/48/445730748.db2.gz JEODEBIIQJRHBX-INIZCTEOSA-N 2 2 346.431 1.293 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000356348077 445746101 /nfs/dbraw/zinc/74/61/01/445746101.db2.gz GLPBWVROGVXOCN-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000356348077 445746102 /nfs/dbraw/zinc/74/61/02/445746102.db2.gz GLPBWVROGVXOCN-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363402968 445789315 /nfs/dbraw/zinc/78/93/15/445789315.db2.gz UDLFWPUHHYEHPM-MRXNPFEDSA-N 2 2 342.447 1.527 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363402968 445789321 /nfs/dbraw/zinc/78/93/21/445789321.db2.gz UDLFWPUHHYEHPM-MRXNPFEDSA-N 2 2 342.447 1.527 20 0 EDADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000361585192 445832756 /nfs/dbraw/zinc/83/27/56/445832756.db2.gz BKQDGFLKCRQCIW-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000361585192 445832758 /nfs/dbraw/zinc/83/27/58/445832758.db2.gz BKQDGFLKCRQCIW-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684783 445876225 /nfs/dbraw/zinc/87/62/25/445876225.db2.gz AWVWCYFABKFQDB-MAUKXSAKSA-N 3 2 334.508 1.146 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684783 445876230 /nfs/dbraw/zinc/87/62/30/445876230.db2.gz AWVWCYFABKFQDB-MAUKXSAKSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684783 445876236 /nfs/dbraw/zinc/87/62/36/445876236.db2.gz AWVWCYFABKFQDB-MAUKXSAKSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684783 445876240 /nfs/dbraw/zinc/87/62/40/445876240.db2.gz AWVWCYFABKFQDB-MAUKXSAKSA-N 3 2 334.508 1.146 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000363791333 445875297 /nfs/dbraw/zinc/87/52/97/445875297.db2.gz VDVQCHMOLJSWNU-JQHSSLGASA-N 2 2 336.476 1.951 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000354107969 445909874 /nfs/dbraw/zinc/90/98/74/445909874.db2.gz NNUXOLAYFOODOD-OLZOCXBDSA-N 2 2 334.420 1.408 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000354107969 445909876 /nfs/dbraw/zinc/90/98/76/445909876.db2.gz NNUXOLAYFOODOD-OLZOCXBDSA-N 2 2 334.420 1.408 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)no1 ZINC000359173274 445999258 /nfs/dbraw/zinc/99/92/58/445999258.db2.gz QBMOMSYZESWDIP-OAHLLOKOSA-N 2 2 330.432 1.639 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000373031729 445984321 /nfs/dbraw/zinc/98/43/21/445984321.db2.gz YJLITNWDUAKUFJ-KRWDZBQOSA-N 2 2 341.459 1.808 20 0 EDADLP CC(C)[NH+]1CCN(CCC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000369215963 445999403 /nfs/dbraw/zinc/99/94/03/445999403.db2.gz QQIODUIMHCGWJJ-SFHVURJKSA-N 2 2 342.491 1.900 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000369130997 445944950 /nfs/dbraw/zinc/94/49/50/445944950.db2.gz SKFLFUWVJOBHKA-MAUKXSAKSA-N 2 2 341.459 1.775 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000369130997 445944958 /nfs/dbraw/zinc/94/49/58/445944958.db2.gz SKFLFUWVJOBHKA-MAUKXSAKSA-N 2 2 341.459 1.775 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000354148957 445947317 /nfs/dbraw/zinc/94/73/17/445947317.db2.gz KNNTWSRVMLHWKQ-SFHVURJKSA-N 2 2 326.481 1.935 20 0 EDADLP CN(C(=O)C1CCSCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369243188 446016539 /nfs/dbraw/zinc/01/65/39/446016539.db2.gz WWYVOZYNWKNPNJ-INIZCTEOSA-N 2 2 325.522 1.757 20 0 EDADLP CN(C(=O)C1CCSCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369243188 446016542 /nfs/dbraw/zinc/01/65/42/446016542.db2.gz WWYVOZYNWKNPNJ-INIZCTEOSA-N 2 2 325.522 1.757 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCN2CC[NH+](CC)CC2)C1 ZINC000373099464 446026081 /nfs/dbraw/zinc/02/60/81/446026081.db2.gz NCCCXIUKCVFBIX-QGZVFWFLSA-N 2 2 347.507 1.637 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[NH+]2CCN(CC)CC2)C1 ZINC000373099464 446026084 /nfs/dbraw/zinc/02/60/84/446026084.db2.gz NCCCXIUKCVFBIX-QGZVFWFLSA-N 2 2 347.507 1.637 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccccc3C=O)C2)CC1 ZINC000369273174 446038783 /nfs/dbraw/zinc/03/87/83/446038783.db2.gz FYASNHLUIYZQOA-INIZCTEOSA-N 2 2 345.443 1.163 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccccc3C=O)C2)CC1 ZINC000369273174 446038788 /nfs/dbraw/zinc/03/87/88/446038788.db2.gz FYASNHLUIYZQOA-INIZCTEOSA-N 2 2 345.443 1.163 20 0 EDADLP Cc1ccc(OCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000369276741 446043356 /nfs/dbraw/zinc/04/33/56/446043356.db2.gz IMPFNEGRVNLZGL-KRWDZBQOSA-N 2 2 345.487 1.967 20 0 EDADLP Cc1ccc(OCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000369276741 446043363 /nfs/dbraw/zinc/04/33/63/446043363.db2.gz IMPFNEGRVNLZGL-KRWDZBQOSA-N 2 2 345.487 1.967 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H](O)CC1CCCC1 ZINC000365066140 446003816 /nfs/dbraw/zinc/00/38/16/446003816.db2.gz HAAWTMMDRXOVHF-BHIYHBOVSA-N 2 2 339.524 1.264 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H](O)CC1CCCC1 ZINC000365066140 446003822 /nfs/dbraw/zinc/00/38/22/446003822.db2.gz HAAWTMMDRXOVHF-BHIYHBOVSA-N 2 2 339.524 1.264 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000365066140 446003831 /nfs/dbraw/zinc/00/38/31/446003831.db2.gz HAAWTMMDRXOVHF-BHIYHBOVSA-N 2 2 339.524 1.264 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2OC(F)F)[C@H](C[NH3+])C1 ZINC000583369582 326058988 /nfs/dbraw/zinc/05/89/88/326058988.db2.gz SHQFXJWSIXUHRH-SNVBAGLBSA-N 2 2 332.326 1.534 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2OC(F)F)[C@H](C[NH3+])C1 ZINC000583369582 326058990 /nfs/dbraw/zinc/05/89/90/326058990.db2.gz SHQFXJWSIXUHRH-SNVBAGLBSA-N 2 2 332.326 1.534 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000583596163 326100474 /nfs/dbraw/zinc/10/04/74/326100474.db2.gz YQFSCLNWYAYXPZ-GASCZTMLSA-N 2 2 332.448 1.407 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000583596163 326100476 /nfs/dbraw/zinc/10/04/76/326100476.db2.gz YQFSCLNWYAYXPZ-GASCZTMLSA-N 2 2 332.448 1.407 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(C)Cc3ccccc3C2)C[C@@H](C)O1 ZINC000583626600 326106285 /nfs/dbraw/zinc/10/62/85/326106285.db2.gz XWMBCPQVPGESFM-MDZRGWNJSA-N 2 2 332.488 1.851 20 0 EDADLP C[N@@H+]1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000583692372 326120000 /nfs/dbraw/zinc/12/00/00/326120000.db2.gz XPBMAGQNLZYXEE-KBPBESRZSA-N 2 2 329.366 1.824 20 0 EDADLP C[N@H+]1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000583692372 326120003 /nfs/dbraw/zinc/12/00/03/326120003.db2.gz XPBMAGQNLZYXEE-KBPBESRZSA-N 2 2 329.366 1.824 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCCCCn3cc[nH+]c3)[nH+]cn2)C1 ZINC000584039874 326187653 /nfs/dbraw/zinc/18/76/53/326187653.db2.gz PEPBVOOYJSCUQZ-CABCVRRESA-N 2 2 330.436 1.773 20 0 EDADLP Cc1nc(CC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)sc1C ZINC000584108721 326200433 /nfs/dbraw/zinc/20/04/33/326200433.db2.gz PRZZAKRNYNWIQL-TYNCELHUSA-N 2 2 327.494 1.362 20 0 EDADLP Cc1nc(CC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)sc1C ZINC000584108721 326200434 /nfs/dbraw/zinc/20/04/34/326200434.db2.gz PRZZAKRNYNWIQL-TYNCELHUSA-N 2 2 327.494 1.362 20 0 EDADLP CN(C(=O)NCc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369344692 446087828 /nfs/dbraw/zinc/08/78/28/446087828.db2.gz RJNQYRSVUGWKLF-GOSISDBHSA-N 2 2 330.476 1.997 20 0 EDADLP CN(C(=O)NCc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369344692 446087832 /nfs/dbraw/zinc/08/78/32/446087832.db2.gz RJNQYRSVUGWKLF-GOSISDBHSA-N 2 2 330.476 1.997 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cs1 ZINC000366218798 446088332 /nfs/dbraw/zinc/08/83/32/446088332.db2.gz NAICNYZPNHEQNT-QGZVFWFLSA-N 2 2 348.516 1.828 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cs1 ZINC000366218798 446088335 /nfs/dbraw/zinc/08/83/35/446088335.db2.gz NAICNYZPNHEQNT-QGZVFWFLSA-N 2 2 348.516 1.828 20 0 EDADLP Cc1cccc(NC(=O)[C@@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)n1 ZINC000351536640 446137246 /nfs/dbraw/zinc/13/72/46/446137246.db2.gz NOGNFNPGFKADCX-WBVHZDCISA-N 2 2 346.475 1.496 20 0 EDADLP Cc1cccc(NC(=O)[C@@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)n1 ZINC000351536640 446137250 /nfs/dbraw/zinc/13/72/50/446137250.db2.gz NOGNFNPGFKADCX-WBVHZDCISA-N 2 2 346.475 1.496 20 0 EDADLP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)n1 ZINC000351536640 446137255 /nfs/dbraw/zinc/13/72/55/446137255.db2.gz NOGNFNPGFKADCX-WBVHZDCISA-N 2 2 346.475 1.496 20 0 EDADLP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)n1 ZINC000351536640 446137261 /nfs/dbraw/zinc/13/72/61/446137261.db2.gz NOGNFNPGFKADCX-WBVHZDCISA-N 2 2 346.475 1.496 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nnnn3C3CC3)C2)CC1 ZINC000365234601 446092620 /nfs/dbraw/zinc/09/26/20/446092620.db2.gz OPFOEIFJTIOIQY-GDBMZVCRSA-N 2 2 333.484 1.169 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nnnn3C3CC3)C2)CC1 ZINC000365234601 446092626 /nfs/dbraw/zinc/09/26/26/446092626.db2.gz OPFOEIFJTIOIQY-GDBMZVCRSA-N 2 2 333.484 1.169 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000373207771 446097484 /nfs/dbraw/zinc/09/74/84/446097484.db2.gz YOGVBYFKPDEAMG-BEFAXECRSA-N 2 2 349.450 1.272 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000373207771 446097487 /nfs/dbraw/zinc/09/74/87/446097487.db2.gz YOGVBYFKPDEAMG-BEFAXECRSA-N 2 2 349.450 1.272 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1)C1CC1 ZINC000351495017 446097924 /nfs/dbraw/zinc/09/79/24/446097924.db2.gz OSWXPFYDSCTPIB-GOSISDBHSA-N 2 2 337.508 1.602 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1)C1CC1 ZINC000351495017 446097931 /nfs/dbraw/zinc/09/79/31/446097931.db2.gz OSWXPFYDSCTPIB-GOSISDBHSA-N 2 2 337.508 1.602 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]12 ZINC000351496738 446100797 /nfs/dbraw/zinc/10/07/97/446100797.db2.gz SEWIMLNEOACSRO-BHYGNILZSA-N 2 2 343.475 1.680 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]12 ZINC000351496738 446100803 /nfs/dbraw/zinc/10/08/03/446100803.db2.gz SEWIMLNEOACSRO-BHYGNILZSA-N 2 2 343.475 1.680 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000365257728 446106708 /nfs/dbraw/zinc/10/67/08/446106708.db2.gz JJEFUZQDUIQQOM-MRXNPFEDSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000365257728 446106718 /nfs/dbraw/zinc/10/67/18/446106718.db2.gz JJEFUZQDUIQQOM-MRXNPFEDSA-N 3 2 349.523 1.081 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366279980 446124978 /nfs/dbraw/zinc/12/49/78/446124978.db2.gz KWXQERPZQMGYIE-WBVHZDCISA-N 2 2 338.496 1.127 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366279980 446124980 /nfs/dbraw/zinc/12/49/80/446124980.db2.gz KWXQERPZQMGYIE-WBVHZDCISA-N 2 2 338.496 1.127 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366279980 446124987 /nfs/dbraw/zinc/12/49/87/446124987.db2.gz KWXQERPZQMGYIE-WBVHZDCISA-N 2 2 338.496 1.127 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366279980 446124992 /nfs/dbraw/zinc/12/49/92/446124992.db2.gz KWXQERPZQMGYIE-WBVHZDCISA-N 2 2 338.496 1.127 20 0 EDADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351573721 446170485 /nfs/dbraw/zinc/17/04/85/446170485.db2.gz LRGBGOIQMQKBPU-UXHICEINSA-N 2 2 347.503 1.413 20 0 EDADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351573721 446170490 /nfs/dbraw/zinc/17/04/90/446170490.db2.gz LRGBGOIQMQKBPU-UXHICEINSA-N 2 2 347.503 1.413 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1C ZINC000354415597 446189042 /nfs/dbraw/zinc/18/90/42/446189042.db2.gz ZRBLABBHHYINJJ-GOEBONIOSA-N 2 2 334.464 1.323 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1C ZINC000354415597 446189044 /nfs/dbraw/zinc/18/90/44/446189044.db2.gz ZRBLABBHHYINJJ-GOEBONIOSA-N 2 2 334.464 1.323 20 0 EDADLP Cn1c(C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)nnc1C1CC1 ZINC000362005414 446146130 /nfs/dbraw/zinc/14/61/30/446146130.db2.gz TWVUMCMTFDQRPJ-UHFFFAOYSA-N 2 2 333.480 1.627 20 0 EDADLP Cn1c2c([nH+]c1[C@H]1CCCN1C[C@H](O)C[N@H+](C)C1CC1)CCCC2 ZINC000351618198 446213958 /nfs/dbraw/zinc/21/39/58/446213958.db2.gz FNWZSNKESITLJO-CRAIPNDOSA-N 2 2 332.492 1.891 20 0 EDADLP Cn1c2c([nH+]c1[C@H]1CCCN1C[C@H](O)C[N@@H+](C)C1CC1)CCCC2 ZINC000351618198 446213964 /nfs/dbraw/zinc/21/39/64/446213964.db2.gz FNWZSNKESITLJO-CRAIPNDOSA-N 2 2 332.492 1.891 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc2[nH+]ccn2c1 ZINC000366443462 446216734 /nfs/dbraw/zinc/21/67/34/446216734.db2.gz UVSIYYQYADNQAU-BZUAXINKSA-N 2 2 328.416 1.658 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000365458207 446217169 /nfs/dbraw/zinc/21/71/69/446217169.db2.gz DGWWQUNSMPPOBY-GVDBMIGSSA-N 2 2 345.491 1.891 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000365458207 446217173 /nfs/dbraw/zinc/21/71/73/446217173.db2.gz DGWWQUNSMPPOBY-GVDBMIGSSA-N 2 2 345.491 1.891 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCOCC1 ZINC000370305995 446224256 /nfs/dbraw/zinc/22/42/56/446224256.db2.gz RALSERQMEKBXAC-INIZCTEOSA-N 2 2 346.475 1.648 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCOCC1 ZINC000370305995 446224258 /nfs/dbraw/zinc/22/42/58/446224258.db2.gz RALSERQMEKBXAC-INIZCTEOSA-N 2 2 346.475 1.648 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21)[NH+]1CCOCC1 ZINC000366492496 446236748 /nfs/dbraw/zinc/23/67/48/446236748.db2.gz GJYVIGCMHKKGED-JKSUJKDBSA-N 2 2 349.479 1.417 20 0 EDADLP CC(C)CC[C@H](O)C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000366497183 446238163 /nfs/dbraw/zinc/23/81/63/446238163.db2.gz ZFTHHORTACRBQO-SQNIBIBYSA-N 2 2 327.513 1.120 20 0 EDADLP CC(C)CC[C@H](O)C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000366497183 446238167 /nfs/dbraw/zinc/23/81/67/446238167.db2.gz ZFTHHORTACRBQO-SQNIBIBYSA-N 2 2 327.513 1.120 20 0 EDADLP CC(C)CC[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000366497183 446238171 /nfs/dbraw/zinc/23/81/71/446238171.db2.gz ZFTHHORTACRBQO-SQNIBIBYSA-N 2 2 327.513 1.120 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000365582360 446262467 /nfs/dbraw/zinc/26/24/67/446262467.db2.gz KGMRPGQVDBRZJL-CVEARBPZSA-N 2 2 347.463 1.340 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)no1 ZINC000359563753 446292895 /nfs/dbraw/zinc/29/28/95/446292895.db2.gz DLVQKWDDIABXHI-UHFFFAOYSA-N 2 2 334.395 1.867 20 0 EDADLP Cc1ccc(N2CCC[C@H](C(=O)NCC[NH+]3CCOCC3)C2)[nH+]c1 ZINC000370510188 446312560 /nfs/dbraw/zinc/31/25/60/446312560.db2.gz WCZUUJNAVJYVJE-INIZCTEOSA-N 2 2 332.448 1.055 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCC[C@H]3O)CC2)CC1 ZINC000365717004 446312783 /nfs/dbraw/zinc/31/27/83/446312783.db2.gz NKILVWSWJZFSCQ-RHSMWYFYSA-N 2 2 338.496 1.005 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000370532749 446320280 /nfs/dbraw/zinc/32/02/80/446320280.db2.gz DPFYYDULERMHET-HNNXBMFYSA-N 2 2 334.464 1.835 20 0 EDADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CNC(=O)O1 ZINC000366781077 446348529 /nfs/dbraw/zinc/34/85/29/446348529.db2.gz REZGSGWBIFAJHN-KRWDZBQOSA-N 3 2 338.496 1.223 20 0 EDADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CNC(=O)O1 ZINC000366781077 446348532 /nfs/dbraw/zinc/34/85/32/446348532.db2.gz REZGSGWBIFAJHN-KRWDZBQOSA-N 3 2 338.496 1.223 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000370586507 446343931 /nfs/dbraw/zinc/34/39/31/446343931.db2.gz DKXBOUQDWLRFPK-HZPDHXFCSA-N 2 2 343.431 1.075 20 0 EDADLP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000370616154 446359505 /nfs/dbraw/zinc/35/95/05/446359505.db2.gz OPPFMJUPPWMQHU-ZBFHGGJFSA-N 2 2 338.521 1.817 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](n2cccn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000365829858 446360115 /nfs/dbraw/zinc/36/01/15/446360115.db2.gz DGWHJWMKCMEJNK-MRXNPFEDSA-N 2 2 343.431 1.067 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](n2cccn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000365829858 446360119 /nfs/dbraw/zinc/36/01/19/446360119.db2.gz DGWHJWMKCMEJNK-MRXNPFEDSA-N 2 2 343.431 1.067 20 0 EDADLP CNS(=O)(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000370685101 446386466 /nfs/dbraw/zinc/38/64/66/446386466.db2.gz WYIABPNIEIZIPC-UHFFFAOYSA-N 2 2 348.472 1.694 20 0 EDADLP CO[C@H](C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374793206 446395500 /nfs/dbraw/zinc/39/55/00/446395500.db2.gz KYSCWHDNIBFEOM-RTBURBONSA-N 2 2 333.476 1.322 20 0 EDADLP CO[C@H](C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374793206 446395504 /nfs/dbraw/zinc/39/55/04/446395504.db2.gz KYSCWHDNIBFEOM-RTBURBONSA-N 2 2 333.476 1.322 20 0 EDADLP C[N@H+](CC(C)(C)C[NH3+])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000420286946 446452367 /nfs/dbraw/zinc/45/23/67/446452367.db2.gz HECXEZBVSDKRRR-GFCCVEGCSA-N 2 2 328.254 1.892 20 0 EDADLP C[N@@H+](CC(C)(C)C[NH3+])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000420286946 446452371 /nfs/dbraw/zinc/45/23/71/446452371.db2.gz HECXEZBVSDKRRR-GFCCVEGCSA-N 2 2 328.254 1.892 20 0 EDADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420254871 446435195 /nfs/dbraw/zinc/43/51/95/446435195.db2.gz SDKKUWMREIROCJ-CJNGLKHVSA-N 2 2 343.427 1.442 20 0 EDADLP COCCCn1nccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000366974666 446437932 /nfs/dbraw/zinc/43/79/32/446437932.db2.gz HCHYKSXWHJVZHW-MRXNPFEDSA-N 2 2 336.480 1.510 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000366986828 446445861 /nfs/dbraw/zinc/44/58/61/446445861.db2.gz BYFQMCCJLVBTCT-SFHVURJKSA-N 2 2 335.496 1.269 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000411253021 446446034 /nfs/dbraw/zinc/44/60/34/446446034.db2.gz LCDRFUSYDDDQJC-MRXNPFEDSA-N 2 2 344.459 1.890 20 0 EDADLP C[N@H+](CC(C)(C)C[NH3+])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000420286947 446453166 /nfs/dbraw/zinc/45/31/66/446453166.db2.gz HECXEZBVSDKRRR-LBPRGKRZSA-N 2 2 328.254 1.892 20 0 EDADLP C[N@@H+](CC(C)(C)C[NH3+])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000420286947 446453172 /nfs/dbraw/zinc/45/31/72/446453172.db2.gz HECXEZBVSDKRRR-LBPRGKRZSA-N 2 2 328.254 1.892 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000366896561 446401957 /nfs/dbraw/zinc/40/19/57/446401957.db2.gz PHMAUVYBYSECTR-IAGOWNOFSA-N 2 2 338.496 1.221 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000366896561 446401962 /nfs/dbraw/zinc/40/19/62/446401962.db2.gz PHMAUVYBYSECTR-IAGOWNOFSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000423261773 446468646 /nfs/dbraw/zinc/46/86/46/446468646.db2.gz KUMVAWLFFHUARH-XJKSGUPXSA-N 2 2 325.478 1.674 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000420316751 446481574 /nfs/dbraw/zinc/48/15/74/446481574.db2.gz YKIJJYWGJJKSPA-MDZLAQPJSA-N 2 2 337.445 1.309 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000420316751 446481580 /nfs/dbraw/zinc/48/15/80/446481580.db2.gz YKIJJYWGJJKSPA-MDZLAQPJSA-N 2 2 337.445 1.309 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n2)c(OC)c1 ZINC000420314293 446477305 /nfs/dbraw/zinc/47/73/05/446477305.db2.gz VNKVEHLRJBURNY-CQDKDKBSSA-N 2 2 344.415 1.923 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n2)c(OC)c1 ZINC000420314293 446477313 /nfs/dbraw/zinc/47/73/13/446477313.db2.gz VNKVEHLRJBURNY-CQDKDKBSSA-N 2 2 344.415 1.923 20 0 EDADLP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420312999 446478304 /nfs/dbraw/zinc/47/83/04/446478304.db2.gz SZCNSNOFIJEEEQ-QAPCUYQASA-N 2 2 345.443 1.105 20 0 EDADLP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420312999 446478310 /nfs/dbraw/zinc/47/83/10/446478310.db2.gz SZCNSNOFIJEEEQ-QAPCUYQASA-N 2 2 345.443 1.105 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@]2([NH+](C)C)CCCSC2)C[C@@H]1C ZINC000367059352 446494414 /nfs/dbraw/zinc/49/44/14/446494414.db2.gz DZTMEKFMEHJHOE-UXLLHSPISA-N 2 2 343.537 1.381 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)cn21 ZINC000423389129 446513821 /nfs/dbraw/zinc/51/38/21/446513821.db2.gz LEGJKPQHFDCUOF-MRXNPFEDSA-N 2 2 338.415 1.694 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423399947 446518006 /nfs/dbraw/zinc/51/80/06/446518006.db2.gz WDUZCCRUKSPIOE-IAQYHMDHSA-N 2 2 327.375 1.192 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423399947 446518014 /nfs/dbraw/zinc/51/80/14/446518014.db2.gz WDUZCCRUKSPIOE-IAQYHMDHSA-N 2 2 327.375 1.192 20 0 EDADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCC[NH2+]1 ZINC000423423896 446529195 /nfs/dbraw/zinc/52/91/95/446529195.db2.gz LIYZQYJXPYRPJN-MLGOLLRUSA-N 2 2 344.452 1.648 20 0 EDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352741 446532320 /nfs/dbraw/zinc/53/23/20/446532320.db2.gz MNYONARJJJHOPY-CYBMUJFWSA-N 2 2 334.247 1.203 20 0 EDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352741 446532323 /nfs/dbraw/zinc/53/23/23/446532323.db2.gz MNYONARJJJHOPY-CYBMUJFWSA-N 2 2 334.247 1.203 20 0 EDADLP COc1ccc(CCNC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1OC ZINC000420356541 446534847 /nfs/dbraw/zinc/53/48/47/446534847.db2.gz CTKAFRPCDRPTQQ-CKFHNAJUSA-N 2 2 349.475 1.339 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N(C)CCOc1ccccc1F ZINC000420356080 446535242 /nfs/dbraw/zinc/53/52/42/446535242.db2.gz CLULLBWCCVXZSU-HBUWYVDXSA-N 2 2 337.439 1.639 20 0 EDADLP CC(C)c1ccc([C@@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])C(C)C)cc1 ZINC000420358708 446539289 /nfs/dbraw/zinc/53/92/89/446539289.db2.gz ULQAOWZWVZGSFK-MJGOQNOKSA-N 2 2 335.492 1.875 20 0 EDADLP CC(C)c1ccc([C@@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C(C)C)cc1 ZINC000420358708 446539294 /nfs/dbraw/zinc/53/92/94/446539294.db2.gz ULQAOWZWVZGSFK-MJGOQNOKSA-N 2 2 335.492 1.875 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000420358577 446540209 /nfs/dbraw/zinc/54/02/09/446540209.db2.gz FJOIQZFIWOZNMB-BHMUDNJQSA-N 2 2 331.460 1.991 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C[C@@H](O)C[NH3+] ZINC000420360992 446541749 /nfs/dbraw/zinc/54/17/49/446541749.db2.gz XITGAUVRIWQTBW-FUHWJXTLSA-N 2 2 337.439 1.425 20 0 EDADLP C[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C[C@@H](O)C[NH3+] ZINC000420360992 446541752 /nfs/dbraw/zinc/54/17/52/446541752.db2.gz XITGAUVRIWQTBW-FUHWJXTLSA-N 2 2 337.439 1.425 20 0 EDADLP CC[NH+]1CCN(CCC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000453074371 446543519 /nfs/dbraw/zinc/54/35/19/446543519.db2.gz HNVOFFRJEKNMDP-GOSISDBHSA-N 2 2 346.454 1.650 20 0 EDADLP CC[NH+]1CCN(CCC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000453074371 446543522 /nfs/dbraw/zinc/54/35/22/446543522.db2.gz HNVOFFRJEKNMDP-GOSISDBHSA-N 2 2 346.454 1.650 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)NC(=O)NCc1ccccc1 ZINC000420363737 446544654 /nfs/dbraw/zinc/54/46/54/446544654.db2.gz JLVONUKSTFELGH-HGTKMLMNSA-N 2 2 332.448 1.377 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1C ZINC000420366717 446546498 /nfs/dbraw/zinc/54/64/98/446546498.db2.gz MDVSOQLMCCBUKY-DXCKQFNASA-N 2 2 332.448 1.928 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(Cc2noc(C[NH3+])n2)[C@@H](C)C1 ZINC000420371191 446549229 /nfs/dbraw/zinc/54/92/29/446549229.db2.gz KJCOWRFDJVXVOH-AWEZNQCLSA-N 2 2 345.447 1.633 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(Cc2noc(C[NH3+])n2)[C@@H](C)C1 ZINC000420371191 446549235 /nfs/dbraw/zinc/54/92/35/446549235.db2.gz KJCOWRFDJVXVOH-AWEZNQCLSA-N 2 2 345.447 1.633 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418459552 446552150 /nfs/dbraw/zinc/55/21/50/446552150.db2.gz GMVIVPZGBGXGGX-AWEZNQCLSA-N 2 2 339.509 1.878 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418459552 446552155 /nfs/dbraw/zinc/55/21/55/446552155.db2.gz GMVIVPZGBGXGGX-AWEZNQCLSA-N 2 2 339.509 1.878 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N(C)CCCOc1ccccc1 ZINC000420380654 446556122 /nfs/dbraw/zinc/55/61/22/446556122.db2.gz YMMQCRPZBLXZRF-MDZRGWNJSA-N 2 2 333.476 1.890 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nnc(-c4ccccn4)s3)C2)CC1 ZINC000367940073 446611224 /nfs/dbraw/zinc/61/12/24/446611224.db2.gz YILZUSOYNGNGDU-ZDUSSCGKSA-N 2 2 344.488 2.181 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nnc(-c4ccccn4)s3)C2)CC1 ZINC000367940073 446611232 /nfs/dbraw/zinc/61/12/32/446611232.db2.gz YILZUSOYNGNGDU-ZDUSSCGKSA-N 2 2 344.488 2.181 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCc2ccc(Cl)cc2)CCCO1 ZINC000420398377 446572352 /nfs/dbraw/zinc/57/23/52/446572352.db2.gz YMZSUHSQEQUOHJ-HNNXBMFYSA-N 2 2 325.840 1.048 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)CCCO1 ZINC000420398377 446572355 /nfs/dbraw/zinc/57/23/55/446572355.db2.gz YMZSUHSQEQUOHJ-HNNXBMFYSA-N 2 2 325.840 1.048 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418546202 446588420 /nfs/dbraw/zinc/58/84/20/446588420.db2.gz JENVCLJKGFMOOB-OIISXLGYSA-N 2 2 332.448 1.019 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418546202 446588426 /nfs/dbraw/zinc/58/84/26/446588426.db2.gz JENVCLJKGFMOOB-OIISXLGYSA-N 2 2 332.448 1.019 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000423590456 446592823 /nfs/dbraw/zinc/59/28/23/446592823.db2.gz DODZUJKVLCKCCY-CYBMUJFWSA-N 2 2 335.448 1.176 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000423590456 446592827 /nfs/dbraw/zinc/59/28/27/446592827.db2.gz DODZUJKVLCKCCY-CYBMUJFWSA-N 2 2 335.448 1.176 20 0 EDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433887292 446607042 /nfs/dbraw/zinc/60/70/42/446607042.db2.gz HKBHSNDKWBMIQT-KBPBESRZSA-N 2 2 325.478 1.461 20 0 EDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433887292 446607052 /nfs/dbraw/zinc/60/70/52/446607052.db2.gz HKBHSNDKWBMIQT-KBPBESRZSA-N 2 2 325.478 1.461 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368105038 446644624 /nfs/dbraw/zinc/64/46/24/446644624.db2.gz NFXUGAOOCNMVKU-CHWSQXEVSA-N 2 2 338.411 1.931 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368105038 446644631 /nfs/dbraw/zinc/64/46/31/446644631.db2.gz NFXUGAOOCNMVKU-CHWSQXEVSA-N 2 2 338.411 1.931 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434414687 446644882 /nfs/dbraw/zinc/64/48/82/446644882.db2.gz FHNSYOVQSSCIAI-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000434414686 446645161 /nfs/dbraw/zinc/64/51/61/446645161.db2.gz FHNSYOVQSSCIAI-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCCNC2=O)C1 ZINC000411687356 446647118 /nfs/dbraw/zinc/64/71/18/446647118.db2.gz MLAHUFGMWKQAFD-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCCNC2=O)C1 ZINC000411687356 446647125 /nfs/dbraw/zinc/64/71/25/446647125.db2.gz MLAHUFGMWKQAFD-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000411687356 446647133 /nfs/dbraw/zinc/64/71/33/446647133.db2.gz MLAHUFGMWKQAFD-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCCNC2=O)C1 ZINC000411687356 446647140 /nfs/dbraw/zinc/64/71/40/446647140.db2.gz MLAHUFGMWKQAFD-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423705958 446650358 /nfs/dbraw/zinc/65/03/58/446650358.db2.gz AHECUZGBKIOCHC-QGZVFWFLSA-N 2 2 331.435 1.860 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423713427 446654538 /nfs/dbraw/zinc/65/45/38/446654538.db2.gz FHCOAQPEYKRFJP-BZSNNMDCSA-N 2 2 335.492 1.335 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423713427 446654545 /nfs/dbraw/zinc/65/45/45/446654545.db2.gz FHCOAQPEYKRFJP-BZSNNMDCSA-N 2 2 335.492 1.335 20 0 EDADLP O=C(N1CCC[N@H+](Cc2cscn2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423735381 446669498 /nfs/dbraw/zinc/66/94/98/446669498.db2.gz BVNRUNBHNNRFDL-MAUKXSAKSA-N 2 2 348.516 1.957 20 0 EDADLP O=C(N1CCC[N@@H+](Cc2cscn2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423735381 446669504 /nfs/dbraw/zinc/66/95/04/446669504.db2.gz BVNRUNBHNNRFDL-MAUKXSAKSA-N 2 2 348.516 1.957 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC[NH+]1CCCOCC1 ZINC000368042756 446621204 /nfs/dbraw/zinc/62/12/04/446621204.db2.gz OGPKNZXHAYVYPQ-SQNIBIBYSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC[NH+]1CCCOCC1 ZINC000368042756 446621211 /nfs/dbraw/zinc/62/12/11/446621211.db2.gz OGPKNZXHAYVYPQ-SQNIBIBYSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1NCC[N@@H+]1CCCOCC1 ZINC000368042756 446621215 /nfs/dbraw/zinc/62/12/15/446621215.db2.gz OGPKNZXHAYVYPQ-SQNIBIBYSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1NCC[N@H+]1CCCOCC1 ZINC000368042756 446621217 /nfs/dbraw/zinc/62/12/17/446621217.db2.gz OGPKNZXHAYVYPQ-SQNIBIBYSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000371090104 446621709 /nfs/dbraw/zinc/62/17/09/446621709.db2.gz WEGAYJJRAIHWHH-MAUKXSAKSA-N 2 2 346.475 1.441 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000371090104 446621714 /nfs/dbraw/zinc/62/17/14/446621714.db2.gz WEGAYJJRAIHWHH-MAUKXSAKSA-N 2 2 346.475 1.441 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)cs1 ZINC000423756979 446686630 /nfs/dbraw/zinc/68/66/30/446686630.db2.gz LWRBLLDAMYBHHC-CRAIPNDOSA-N 2 2 348.516 1.876 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)cs1 ZINC000423756979 446686639 /nfs/dbraw/zinc/68/66/39/446686639.db2.gz LWRBLLDAMYBHHC-CRAIPNDOSA-N 2 2 348.516 1.876 20 0 EDADLP CN1CC[NH+](C[C@@H]2CCCN(c3cc(NCC4CC4)[nH+]cn3)C2)CC1 ZINC000371204990 446688956 /nfs/dbraw/zinc/68/89/56/446688956.db2.gz MJTRJOCDYYDOJQ-KRWDZBQOSA-N 2 2 344.507 1.762 20 0 EDADLP c1cc(O[C@H]2CCN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)cc[nH+]1 ZINC000435344417 446690243 /nfs/dbraw/zinc/69/02/43/446690243.db2.gz VJKYENUSOKRGFD-ZBFHGGJFSA-N 2 2 341.415 2.120 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000435346219 446691883 /nfs/dbraw/zinc/69/18/83/446691883.db2.gz QIDGFPZUJKAEFU-HZPDHXFCSA-N 2 2 349.479 1.836 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000435346219 446691886 /nfs/dbraw/zinc/69/18/86/446691886.db2.gz QIDGFPZUJKAEFU-HZPDHXFCSA-N 2 2 349.479 1.836 20 0 EDADLP COC(=O)c1coc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000368187227 446693925 /nfs/dbraw/zinc/69/39/25/446693925.db2.gz DTBWZWXNHGOOHC-DYVFJYSZSA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1coc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000368187227 446693930 /nfs/dbraw/zinc/69/39/30/446693930.db2.gz DTBWZWXNHGOOHC-DYVFJYSZSA-N 2 2 346.431 1.972 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418782456 446700032 /nfs/dbraw/zinc/70/00/32/446700032.db2.gz DKKJRNJNDJIOET-HRCADAONSA-N 2 2 331.464 1.961 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423829546 446718038 /nfs/dbraw/zinc/71/80/38/446718038.db2.gz PFUZMLJBTQFCQB-ILXRZTDVSA-N 2 2 341.814 1.329 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423829546 446718044 /nfs/dbraw/zinc/71/80/44/446718044.db2.gz PFUZMLJBTQFCQB-ILXRZTDVSA-N 2 2 341.814 1.329 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423836456 446724421 /nfs/dbraw/zinc/72/44/21/446724421.db2.gz WKRHIYBWISQZDA-HPEDKQMDSA-N 2 2 341.814 1.063 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423836456 446724423 /nfs/dbraw/zinc/72/44/23/446724423.db2.gz WKRHIYBWISQZDA-HPEDKQMDSA-N 2 2 341.814 1.063 20 0 EDADLP CCC[C@@H](C(=O)OCC)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375337263 446730898 /nfs/dbraw/zinc/73/08/98/446730898.db2.gz LYVQCZFETZMMQV-KRWDZBQOSA-N 2 2 341.496 1.058 20 0 EDADLP CCC[C@@H](C(=O)OCC)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375337263 446730904 /nfs/dbraw/zinc/73/09/04/446730904.db2.gz LYVQCZFETZMMQV-KRWDZBQOSA-N 2 2 341.496 1.058 20 0 EDADLP c1noc(C2CC2)c1C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375337311 446731496 /nfs/dbraw/zinc/73/14/96/446731496.db2.gz RLWFCMUQVJEPEF-UHFFFAOYSA-N 2 2 334.464 1.392 20 0 EDADLP c1noc(C2CC2)c1C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375337311 446731504 /nfs/dbraw/zinc/73/15/04/446731504.db2.gz RLWFCMUQVJEPEF-UHFFFAOYSA-N 2 2 334.464 1.392 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423860513 446733131 /nfs/dbraw/zinc/73/31/31/446733131.db2.gz AOJIPWFLXFPOQN-CVEARBPZSA-N 2 2 325.497 1.580 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423860513 446733141 /nfs/dbraw/zinc/73/31/41/446733141.db2.gz AOJIPWFLXFPOQN-CVEARBPZSA-N 2 2 325.497 1.580 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418759279 446678635 /nfs/dbraw/zinc/67/86/35/446678635.db2.gz DKQFUAFMSKRDDJ-JKSUJKDBSA-N 2 2 333.480 1.916 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423900036 446751732 /nfs/dbraw/zinc/75/17/32/446751732.db2.gz RCHZSGQVHUPFQF-UONOGXRCSA-N 2 2 327.469 1.106 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423900036 446751737 /nfs/dbraw/zinc/75/17/37/446751737.db2.gz RCHZSGQVHUPFQF-UONOGXRCSA-N 2 2 327.469 1.106 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000371300782 446756509 /nfs/dbraw/zinc/75/65/09/446756509.db2.gz QVKHSVXZLZWHHG-GRGSLBFTSA-N 2 2 349.519 1.959 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000371300782 446756512 /nfs/dbraw/zinc/75/65/12/446756512.db2.gz QVKHSVXZLZWHHG-GRGSLBFTSA-N 2 2 349.519 1.959 20 0 EDADLP CCc1nc(CN2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)C2)no1 ZINC000371315538 446767989 /nfs/dbraw/zinc/76/79/89/446767989.db2.gz SYDCLVXSPKMPPI-QLFBSQMISA-N 2 2 333.480 1.811 20 0 EDADLP CCc1nc(CN2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)C2)no1 ZINC000371315538 446767993 /nfs/dbraw/zinc/76/79/93/446767993.db2.gz SYDCLVXSPKMPPI-QLFBSQMISA-N 2 2 333.480 1.811 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C1CC[NH2+]CC1 ZINC000423923016 446772508 /nfs/dbraw/zinc/77/25/08/446772508.db2.gz WUAGCZAVCFKKMF-KBPBESRZSA-N 2 2 325.453 1.776 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C1CC[NH2+]CC1 ZINC000423923016 446772517 /nfs/dbraw/zinc/77/25/17/446772517.db2.gz WUAGCZAVCFKKMF-KBPBESRZSA-N 2 2 325.453 1.776 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H](C)C1 ZINC000376918897 446797131 /nfs/dbraw/zinc/79/71/31/446797131.db2.gz XJPAFFPNYWSDBK-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H](C)C1 ZINC000376918897 446797139 /nfs/dbraw/zinc/79/71/39/446797139.db2.gz XJPAFFPNYWSDBK-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@H](C)C1 ZINC000376918897 446797146 /nfs/dbraw/zinc/79/71/46/446797146.db2.gz XJPAFFPNYWSDBK-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@H](C)C1 ZINC000376918897 446797153 /nfs/dbraw/zinc/79/71/53/446797153.db2.gz XJPAFFPNYWSDBK-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1)CS(C)(=O)=O ZINC000371373155 446812444 /nfs/dbraw/zinc/81/24/44/446812444.db2.gz JXDUXYOPHKVWPQ-HNNXBMFYSA-N 2 2 332.510 1.101 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368389322 446831711 /nfs/dbraw/zinc/83/17/11/446831711.db2.gz HHHIEYTWYSXSTK-FUHWJXTLSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368389322 446831722 /nfs/dbraw/zinc/83/17/22/446831722.db2.gz HHHIEYTWYSXSTK-FUHWJXTLSA-N 2 2 343.475 1.536 20 0 EDADLP COCCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000371419120 446843362 /nfs/dbraw/zinc/84/33/62/446843362.db2.gz JBYAFTBIODJSHY-LJQANCHMSA-N 2 2 347.503 1.924 20 0 EDADLP COCCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000371419120 446843368 /nfs/dbraw/zinc/84/33/68/446843368.db2.gz JBYAFTBIODJSHY-LJQANCHMSA-N 2 2 347.503 1.924 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000376933451 446805348 /nfs/dbraw/zinc/80/53/48/446805348.db2.gz PTROCLUXLQUTGD-YESZJQIVSA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000376933451 446805351 /nfs/dbraw/zinc/80/53/51/446805351.db2.gz PTROCLUXLQUTGD-YESZJQIVSA-N 2 2 341.496 1.055 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccccc1 ZINC000419002009 446859073 /nfs/dbraw/zinc/85/90/73/446859073.db2.gz LWRCBCZLFJLLJF-UHFFFAOYSA-N 2 2 346.475 1.217 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCC(C[NH3+])CC1)c1ccccc1 ZINC000419002009 446859077 /nfs/dbraw/zinc/85/90/77/446859077.db2.gz LWRCBCZLFJLLJF-UHFFFAOYSA-N 2 2 346.475 1.217 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419007422 446861333 /nfs/dbraw/zinc/86/13/33/446861333.db2.gz RONPDWKESKNJEZ-NVXWUHKLSA-N 2 2 346.475 1.133 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419007422 446861338 /nfs/dbraw/zinc/86/13/38/446861338.db2.gz RONPDWKESKNJEZ-NVXWUHKLSA-N 2 2 346.475 1.133 20 0 EDADLP NC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420899142 446877342 /nfs/dbraw/zinc/87/73/42/446877342.db2.gz DWQNVIRAADXMCC-KRWDZBQOSA-N 2 2 345.487 1.996 20 0 EDADLP NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420899142 446877346 /nfs/dbraw/zinc/87/73/46/446877346.db2.gz DWQNVIRAADXMCC-KRWDZBQOSA-N 2 2 345.487 1.996 20 0 EDADLP CCC[N@H+](CC(=O)N(C)C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899223 446877363 /nfs/dbraw/zinc/87/73/63/446877363.db2.gz FNRUMFHDCFJPAO-UHFFFAOYSA-N 2 2 333.476 1.819 20 0 EDADLP CCC[N@@H+](CC(=O)N(C)C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899223 446877368 /nfs/dbraw/zinc/87/73/68/446877368.db2.gz FNRUMFHDCFJPAO-UHFFFAOYSA-N 2 2 333.476 1.819 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000371480431 446883390 /nfs/dbraw/zinc/88/33/90/446883390.db2.gz OESDQRSDOBDRBL-ZOBUZTSGSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000371480431 446883396 /nfs/dbraw/zinc/88/33/96/446883396.db2.gz OESDQRSDOBDRBL-ZOBUZTSGSA-N 2 2 338.496 1.412 20 0 EDADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420911393 446883498 /nfs/dbraw/zinc/88/34/98/446883498.db2.gz GKMQQYOUZDLNHF-IBGZPJMESA-N 2 2 343.471 1.762 20 0 EDADLP O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420911393 446883505 /nfs/dbraw/zinc/88/35/05/446883505.db2.gz GKMQQYOUZDLNHF-IBGZPJMESA-N 2 2 343.471 1.762 20 0 EDADLP COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420913316 446886188 /nfs/dbraw/zinc/88/61/88/446886188.db2.gz ANPRJTSYVUQSKP-MSOLQXFVSA-N 2 2 348.443 1.017 20 0 EDADLP COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420913316 446886190 /nfs/dbraw/zinc/88/61/90/446886190.db2.gz ANPRJTSYVUQSKP-MSOLQXFVSA-N 2 2 348.443 1.017 20 0 EDADLP CC(C)SCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377054650 446890345 /nfs/dbraw/zinc/89/03/45/446890345.db2.gz CEDRVEKLUALUSE-HNNXBMFYSA-N 2 2 342.553 1.938 20 0 EDADLP C[NH+](C)CC1(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CCC1 ZINC000375634064 446940161 /nfs/dbraw/zinc/94/01/61/446940161.db2.gz FTMMWYSROKHKLW-HNNXBMFYSA-N 2 2 331.464 1.834 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000420977494 446948726 /nfs/dbraw/zinc/94/87/26/446948726.db2.gz IGTMAXSKILAFIK-IBGZPJMESA-N 2 2 344.503 1.705 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000420977494 446948730 /nfs/dbraw/zinc/94/87/30/446948730.db2.gz IGTMAXSKILAFIK-IBGZPJMESA-N 2 2 344.503 1.705 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cn(C(C)C)nn3)CC2)CC1 ZINC000420981191 446956478 /nfs/dbraw/zinc/95/64/78/446956478.db2.gz MSLBBKXGIMSOJV-UHFFFAOYSA-N 2 2 334.512 1.851 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cn(C(C)C)nn3)CC2)CC1 ZINC000420981191 446956486 /nfs/dbraw/zinc/95/64/86/446956486.db2.gz MSLBBKXGIMSOJV-UHFFFAOYSA-N 2 2 334.512 1.851 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442781385 446964765 /nfs/dbraw/zinc/96/47/65/446964765.db2.gz POFHTUAXKRLHNF-SJPCQFCGSA-N 2 2 330.432 1.798 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442781385 446964773 /nfs/dbraw/zinc/96/47/73/446964773.db2.gz POFHTUAXKRLHNF-SJPCQFCGSA-N 2 2 330.432 1.798 20 0 EDADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372111628 447008640 /nfs/dbraw/zinc/00/86/40/447008640.db2.gz VSGXNEVZFBGZLC-SJORKVTESA-N 2 2 346.475 1.261 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000371983491 446980323 /nfs/dbraw/zinc/98/03/23/446980323.db2.gz HBTVODQGLIKCNI-INIZCTEOSA-N 2 2 325.416 1.912 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000371983491 446980325 /nfs/dbraw/zinc/98/03/25/446980325.db2.gz HBTVODQGLIKCNI-INIZCTEOSA-N 2 2 325.416 1.912 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377267509 447028804 /nfs/dbraw/zinc/02/88/04/447028804.db2.gz PYCQLLGKBZVRMA-KRWDZBQOSA-N 2 2 333.476 1.770 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377267509 447028807 /nfs/dbraw/zinc/02/88/07/447028807.db2.gz PYCQLLGKBZVRMA-KRWDZBQOSA-N 2 2 333.476 1.770 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000377346141 447081811 /nfs/dbraw/zinc/08/18/11/447081811.db2.gz OQVXVQHUYHEKPW-UHFFFAOYSA-N 2 2 341.459 1.926 20 0 EDADLP CCN(CCC[NH+]1CCCC1)c1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000425256100 447082961 /nfs/dbraw/zinc/08/29/61/447082961.db2.gz OPCLQUNOCAQYNN-INIZCTEOSA-N 2 2 333.480 2.380 20 0 EDADLP 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C[C@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C(C)(F)F ZINC000455777148 447228428 /nfs/dbraw/zinc/22/84/28/447228428.db2.gz GMDLOKCXUTUBCW-STQMWFEESA-N 2 2 332.439 1.840 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C(C)(F)F ZINC000455777148 447228437 /nfs/dbraw/zinc/22/84/37/447228437.db2.gz GMDLOKCXUTUBCW-STQMWFEESA-N 2 2 332.439 1.840 20 0 EDADLP COc1csc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000372710742 447237743 /nfs/dbraw/zinc/23/77/43/447237743.db2.gz ALWZZXRTVAWNOO-AWEZNQCLSA-N 2 2 337.489 1.997 20 0 EDADLP COc1csc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000372710742 447237748 /nfs/dbraw/zinc/23/77/48/447237748.db2.gz ALWZZXRTVAWNOO-AWEZNQCLSA-N 2 2 337.489 1.997 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447688674 447288874 /nfs/dbraw/zinc/28/88/74/447288874.db2.gz YRISQIHFVHDSCU-CYBMUJFWSA-N 2 2 346.475 1.635 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 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CC[C@@H]1C[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000387717300 447474281 /nfs/dbraw/zinc/47/42/81/447474281.db2.gz LBYJFMDLFRTFGJ-ZBFHGGJFSA-N 2 2 325.478 1.496 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427128897 447549712 /nfs/dbraw/zinc/54/97/12/447549712.db2.gz REVVJLUOEXRENI-ZFWWWQNUSA-N 2 2 326.400 1.989 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427128897 447549715 /nfs/dbraw/zinc/54/97/15/447549715.db2.gz REVVJLUOEXRENI-ZFWWWQNUSA-N 2 2 326.400 1.989 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495678040 447551928 /nfs/dbraw/zinc/55/19/28/447551928.db2.gz UZCXRJAISNRTHO-OAHLLOKOSA-N 2 2 326.485 1.175 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495678040 447551932 /nfs/dbraw/zinc/55/19/32/447551932.db2.gz UZCXRJAISNRTHO-OAHLLOKOSA-N 2 2 326.485 1.175 20 0 EDADLP C[C@@]1(C[NH2+]C[C@H](O)Cn2cccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000397959782 447553845 /nfs/dbraw/zinc/55/38/45/447553845.db2.gz UPBCJOSJCVUDCT-OALUTQOASA-N 2 2 328.460 1.888 20 0 EDADLP C[C@@]1(C[NH2+]C[C@H](O)Cn2cccn2)CCC[N@H+]1Cc1ccccc1 ZINC000397959782 447553853 /nfs/dbraw/zinc/55/38/53/447553853.db2.gz UPBCJOSJCVUDCT-OALUTQOASA-N 2 2 328.460 1.888 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000398028100 447554417 /nfs/dbraw/zinc/55/44/17/447554417.db2.gz MMDJFDGTMJZSAK-SXLOBPIMSA-N 3 2 349.519 1.426 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000398028100 447554423 /nfs/dbraw/zinc/55/44/23/447554423.db2.gz MMDJFDGTMJZSAK-SXLOBPIMSA-N 3 2 349.519 1.426 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398028100 447554425 /nfs/dbraw/zinc/55/44/25/447554425.db2.gz MMDJFDGTMJZSAK-SXLOBPIMSA-N 3 2 349.519 1.426 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398028100 447554432 /nfs/dbraw/zinc/55/44/32/447554432.db2.gz MMDJFDGTMJZSAK-SXLOBPIMSA-N 3 2 349.519 1.426 20 0 EDADLP C[C@H](C(=O)NCC1([NH+](C)C)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000416298924 447558927 /nfs/dbraw/zinc/55/89/27/447558927.db2.gz DUGCULCOEAOCHK-OAHLLOKOSA-N 2 2 348.466 1.547 20 0 EDADLP Cc1cc(C)c(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c[nH+]1 ZINC000459075170 447563795 /nfs/dbraw/zinc/56/37/95/447563795.db2.gz KWNFQTXYIRIUJE-UHFFFAOYSA-N 2 2 334.464 1.951 20 0 EDADLP Cc1cc(C)c(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c[nH+]1 ZINC000459075170 447563800 /nfs/dbraw/zinc/56/38/00/447563800.db2.gz KWNFQTXYIRIUJE-UHFFFAOYSA-N 2 2 334.464 1.951 20 0 EDADLP CCn1nncc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000459353235 447643247 /nfs/dbraw/zinc/64/32/47/447643247.db2.gz RFDKWNNQJGCMPD-UHFFFAOYSA-N 2 2 342.491 1.548 20 0 EDADLP CCn1nncc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000459353235 447643255 /nfs/dbraw/zinc/64/32/55/447643255.db2.gz RFDKWNNQJGCMPD-UHFFFAOYSA-N 2 2 342.491 1.548 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420100453 447601833 /nfs/dbraw/zinc/60/18/33/447601833.db2.gz KIETZQJZVHMBQK-KKUMJFAQSA-N 2 2 347.463 1.071 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451024926 447654573 /nfs/dbraw/zinc/65/45/73/447654573.db2.gz ITPQDLJJHOIYLT-GJZGRUSLSA-N 2 2 334.464 1.761 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451024926 447654579 /nfs/dbraw/zinc/65/45/79/447654579.db2.gz ITPQDLJJHOIYLT-GJZGRUSLSA-N 2 2 334.464 1.761 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc(C)[nH+]1 ZINC000422590076 447658189 /nfs/dbraw/zinc/65/81/89/447658189.db2.gz ODMYRPKKJINIHJ-KRWDZBQOSA-N 2 2 346.475 1.647 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc(C)[nH+]1 ZINC000422590076 447658195 /nfs/dbraw/zinc/65/81/95/447658195.db2.gz ODMYRPKKJINIHJ-KRWDZBQOSA-N 2 2 346.475 1.647 20 0 EDADLP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1CC[NH2+][C@H](C)C1)OCO3 ZINC000420184245 447658719 /nfs/dbraw/zinc/65/87/19/447658719.db2.gz AQDWHRDIDCPQJW-LLVKDONJSA-N 2 2 343.383 1.938 20 0 EDADLP Cc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)no1 ZINC000459448270 447669253 /nfs/dbraw/zinc/66/92/53/447669253.db2.gz XDPMGURFSWSCIU-KRWDZBQOSA-N 2 2 330.432 1.362 20 0 EDADLP Cc1cc(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)nc(C(C)C)[nH+]1 ZINC000420235981 447681250 /nfs/dbraw/zinc/68/12/50/447681250.db2.gz FFPMXWYRITYLPD-LBPRGKRZSA-N 2 2 331.386 2.156 20 0 EDADLP COCC1(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC[NH2+]CC1 ZINC000420235430 447681570 /nfs/dbraw/zinc/68/15/70/447681570.db2.gz DRPAPHRBCQTNRN-HNNXBMFYSA-N 2 2 349.479 1.113 20 0 EDADLP COCC1(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[NH2+]CC1 ZINC000420235430 447681578 /nfs/dbraw/zinc/68/15/78/447681578.db2.gz DRPAPHRBCQTNRN-HNNXBMFYSA-N 2 2 349.479 1.113 20 0 EDADLP CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000451254835 447713041 /nfs/dbraw/zinc/71/30/41/447713041.db2.gz LZTMJFVWBCHZPU-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP CC[C@@H]1[C@@H](CO)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000451254835 447713048 /nfs/dbraw/zinc/71/30/48/447713048.db2.gz LZTMJFVWBCHZPU-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416947233 447721194 /nfs/dbraw/zinc/72/11/94/447721194.db2.gz GNXRJCCUJXTSLB-OAHLLOKOSA-N 2 2 327.432 1.477 20 0 EDADLP COc1ccc([C@H](NCC[N@@H+]2CCOC[C@@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422710567 447723090 /nfs/dbraw/zinc/72/30/90/447723090.db2.gz GBVNSDIJQCOURC-SNRMKQJTSA-N 2 2 333.476 1.799 20 0 EDADLP COc1ccc([C@H](NCC[N@H+]2CCOC[C@@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422710567 447723093 /nfs/dbraw/zinc/72/30/93/447723093.db2.gz GBVNSDIJQCOURC-SNRMKQJTSA-N 2 2 333.476 1.799 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422713856 447725576 /nfs/dbraw/zinc/72/55/76/447725576.db2.gz KJGJSCFWHYFIQH-IPMKNSEASA-N 3 2 343.519 1.844 20 0 EDADLP OC[C@]1(O)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000459632579 447726850 /nfs/dbraw/zinc/72/68/50/447726850.db2.gz LQWOSKWTJYDDFE-MOPGFXCFSA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@]1(O)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000459632579 447726855 /nfs/dbraw/zinc/72/68/55/447726855.db2.gz LQWOSKWTJYDDFE-MOPGFXCFSA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@]1(O)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000459632579 447726858 /nfs/dbraw/zinc/72/68/58/447726858.db2.gz LQWOSKWTJYDDFE-MOPGFXCFSA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@]1(O)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000459632579 447726863 /nfs/dbraw/zinc/72/68/63/447726863.db2.gz LQWOSKWTJYDDFE-MOPGFXCFSA-N 2 2 334.460 1.097 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)[NH+]2CCOCC2)c1 ZINC000417005775 447730245 /nfs/dbraw/zinc/73/02/45/447730245.db2.gz YKTQJHJEIXMWGI-ZWKOTPCHSA-N 2 2 348.491 1.651 20 0 EDADLP CN(C)[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000422743125 447736259 /nfs/dbraw/zinc/73/62/59/447736259.db2.gz HYLOINHRBITGJI-SOLBZPMBSA-N 2 2 339.430 1.924 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422758041 447741346 /nfs/dbraw/zinc/74/13/46/447741346.db2.gz JZFXVBLLNXXFQU-VNHYZAJKSA-N 2 2 341.477 1.012 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422762893 447743560 /nfs/dbraw/zinc/74/35/60/447743560.db2.gz NARLQQKAQNRQKS-WMZOPIPTSA-N 2 2 330.476 1.455 20 0 EDADLP CCOC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000459709281 447747888 /nfs/dbraw/zinc/74/78/88/447747888.db2.gz UDVGGTOSUYZCBV-INIZCTEOSA-N 2 2 341.496 1.104 20 0 EDADLP CCOC[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000459709281 447747889 /nfs/dbraw/zinc/74/78/89/447747889.db2.gz UDVGGTOSUYZCBV-INIZCTEOSA-N 2 2 341.496 1.104 20 0 EDADLP O=C(CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1Cc2ccccc2C1 ZINC000422960126 447781439 /nfs/dbraw/zinc/78/14/39/447781439.db2.gz VFLSDRNIPXEICJ-ICSRJNTNSA-N 2 2 343.471 1.666 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000431019641 447789229 /nfs/dbraw/zinc/78/92/29/447789229.db2.gz RFJKGGHVDAVEMG-QAPCUYQASA-N 2 2 348.491 1.085 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000431019641 447789231 /nfs/dbraw/zinc/78/92/31/447789231.db2.gz RFJKGGHVDAVEMG-QAPCUYQASA-N 2 2 348.491 1.085 20 0 EDADLP COc1ccc(OC)c(CCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423014106 447791649 /nfs/dbraw/zinc/79/16/49/447791649.db2.gz OGNLYJZCDQRVKP-RTBURBONSA-N 2 2 334.460 1.993 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000423033500 447795494 /nfs/dbraw/zinc/79/54/94/447795494.db2.gz OMQPWVJTFNRXEQ-MNEFBYGVSA-N 3 2 333.476 1.110 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000423033500 447795495 /nfs/dbraw/zinc/79/54/95/447795495.db2.gz OMQPWVJTFNRXEQ-MNEFBYGVSA-N 3 2 333.476 1.110 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)[nH+]c1 ZINC000488651354 447849572 /nfs/dbraw/zinc/84/95/72/447849572.db2.gz XJTSILIWUXKIFB-AWEZNQCLSA-N 2 2 328.420 1.703 20 0 EDADLP c1c[nH+]c([C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccnc2)[nH]1 ZINC000530321162 447859119 /nfs/dbraw/zinc/85/91/19/447859119.db2.gz VFSBGQPSFLEFQA-MAUKXSAKSA-N 2 2 341.459 1.985 20 0 EDADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000497119864 447868929 /nfs/dbraw/zinc/86/89/29/447868929.db2.gz NDNSOFFFPAATHH-AWEZNQCLSA-N 2 2 334.420 1.652 20 0 EDADLP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000497119864 447868933 /nfs/dbraw/zinc/86/89/33/447868933.db2.gz NDNSOFFFPAATHH-AWEZNQCLSA-N 2 2 334.420 1.652 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000523441769 447885908 /nfs/dbraw/zinc/88/59/08/447885908.db2.gz NWIXWRWOHTUNMB-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000523441769 447885913 /nfs/dbraw/zinc/88/59/13/447885913.db2.gz NWIXWRWOHTUNMB-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000523441769 447885919 /nfs/dbraw/zinc/88/59/19/447885919.db2.gz NWIXWRWOHTUNMB-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000523441769 447885925 /nfs/dbraw/zinc/88/59/25/447885925.db2.gz NWIXWRWOHTUNMB-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)[nH+]c12 ZINC000523702102 447903424 /nfs/dbraw/zinc/90/34/24/447903424.db2.gz ZTSMCLGPHCJRTO-KRWDZBQOSA-N 2 2 344.459 1.658 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000575985915 447944255 /nfs/dbraw/zinc/94/42/55/447944255.db2.gz FIVZCGJYKNVONR-LZLYRXPVSA-N 2 2 348.491 1.355 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000570127829 447948833 /nfs/dbraw/zinc/94/88/33/447948833.db2.gz ILMCMRZEGNXWRB-DOTOQJQBSA-N 2 2 344.459 1.601 20 0 EDADLP Cc1ccc(-c2ncc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)s2)cc1 ZINC000569941478 447925293 /nfs/dbraw/zinc/92/52/93/447925293.db2.gz MYIVNAQLGIHIGQ-HOCLYGCPSA-N 2 2 342.468 1.862 20 0 EDADLP Cc1ccc(-c2ncc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)s2)cc1 ZINC000569941478 447925300 /nfs/dbraw/zinc/92/53/00/447925300.db2.gz MYIVNAQLGIHIGQ-HOCLYGCPSA-N 2 2 342.468 1.862 20 0 EDADLP Cn1ncc(Br)c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570044433 447936766 /nfs/dbraw/zinc/93/67/66/447936766.db2.gz KMIHHYWEAYUTAU-NSHDSACASA-N 2 2 343.269 1.370 20 0 EDADLP Cn1ncc(Br)c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570044433 447936772 /nfs/dbraw/zinc/93/67/72/447936772.db2.gz KMIHHYWEAYUTAU-NSHDSACASA-N 2 2 343.269 1.370 20 0 EDADLP CC(C)OC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000530925865 447985854 /nfs/dbraw/zinc/98/58/54/447985854.db2.gz QGYUWURQXVHMEA-UHFFFAOYSA-N 2 2 341.496 1.103 20 0 EDADLP CSc1cc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000576220237 448002421 /nfs/dbraw/zinc/00/24/21/448002421.db2.gz HXNRFELJCAMYHE-VNHYZAJKSA-N 2 2 325.478 1.363 20 0 EDADLP CSc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000576220237 448002429 /nfs/dbraw/zinc/00/24/29/448002429.db2.gz HXNRFELJCAMYHE-VNHYZAJKSA-N 2 2 325.478 1.363 20 0 EDADLP COc1cccc([C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3)CC[N@@H+]2C2CC2)c1 ZINC000554332761 448023798 /nfs/dbraw/zinc/02/37/98/448023798.db2.gz OWAFXHCHUKKTQW-IEBWSBKVSA-N 2 2 340.427 1.986 20 0 EDADLP COc1cccc([C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3)CC[N@H+]2C2CC2)c1 ZINC000554332761 448023801 /nfs/dbraw/zinc/02/38/01/448023801.db2.gz OWAFXHCHUKKTQW-IEBWSBKVSA-N 2 2 340.427 1.986 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+](C)C3)ccc2[nH+]1 ZINC000527080014 448154827 /nfs/dbraw/zinc/15/48/27/448154827.db2.gz GDGOZDCMTXLEEZ-ZDUSSCGKSA-N 2 2 329.404 1.039 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+](C)C3)ccc2[nH+]1 ZINC000527080014 448154837 /nfs/dbraw/zinc/15/48/37/448154837.db2.gz GDGOZDCMTXLEEZ-ZDUSSCGKSA-N 2 2 329.404 1.039 20 0 EDADLP C[NH+](C)C/C=C/C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000491998648 448158298 /nfs/dbraw/zinc/15/82/98/448158298.db2.gz IIYXOMIGFMAOMZ-PXHZSSHCSA-N 2 2 325.453 1.895 20 0 EDADLP C[NH+](C)C/C=C/C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000491998648 448158302 /nfs/dbraw/zinc/15/83/02/448158302.db2.gz IIYXOMIGFMAOMZ-PXHZSSHCSA-N 2 2 325.453 1.895 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000576704304 448120248 /nfs/dbraw/zinc/12/02/48/448120248.db2.gz KSXZVSKQPDUHQT-HNNXBMFYSA-N 2 2 333.432 1.253 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000576704304 448120258 /nfs/dbraw/zinc/12/02/58/448120258.db2.gz KSXZVSKQPDUHQT-HNNXBMFYSA-N 2 2 333.432 1.253 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531719841 448133148 /nfs/dbraw/zinc/13/31/48/448133148.db2.gz OLKWXSGLHLKBFX-LXVYMNJGSA-N 2 2 337.386 1.152 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531719841 448133154 /nfs/dbraw/zinc/13/31/54/448133154.db2.gz OLKWXSGLHLKBFX-LXVYMNJGSA-N 2 2 337.386 1.152 20 0 EDADLP CNC(=O)[C@@H](C[NH2+]Cc1c[nH+]c(C)n1C)Cc1ccc(F)cc1C ZINC000571537631 448170432 /nfs/dbraw/zinc/17/04/32/448170432.db2.gz LEODRQZKXXSJPU-OAHLLOKOSA-N 2 2 332.423 1.871 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000576930211 448172767 /nfs/dbraw/zinc/17/27/67/448172767.db2.gz ONEGVKSPSXNZKW-KBXCAEBGSA-N 2 2 344.459 1.126 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000576930211 448172771 /nfs/dbraw/zinc/17/27/71/448172771.db2.gz ONEGVKSPSXNZKW-KBXCAEBGSA-N 2 2 344.459 1.126 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000571753330 448198822 /nfs/dbraw/zinc/19/88/22/448198822.db2.gz DMHHCKGHXROUCM-CQSZACIVSA-N 2 2 329.404 1.214 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000571753330 448198824 /nfs/dbraw/zinc/19/88/24/448198824.db2.gz DMHHCKGHXROUCM-CQSZACIVSA-N 2 2 329.404 1.214 20 0 EDADLP CCN1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000527318412 448209614 /nfs/dbraw/zinc/20/96/14/448209614.db2.gz CWDRHFIUFVVUPJ-MRXNPFEDSA-N 2 2 341.419 1.677 20 0 EDADLP CCN1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000527318412 448209618 /nfs/dbraw/zinc/20/96/18/448209618.db2.gz CWDRHFIUFVVUPJ-MRXNPFEDSA-N 2 2 341.419 1.677 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000582414446 448229469 /nfs/dbraw/zinc/22/94/69/448229469.db2.gz OSEVBNJJKQBFEY-CBZIJGRNSA-N 2 2 348.491 1.552 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000582534705 448265322 /nfs/dbraw/zinc/26/53/22/448265322.db2.gz SUYXGYRYURDJDD-STQMWFEESA-N 2 2 348.344 1.713 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000582534705 448265325 /nfs/dbraw/zinc/26/53/25/448265325.db2.gz SUYXGYRYURDJDD-STQMWFEESA-N 2 2 348.344 1.713 20 0 EDADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577508900 448317544 /nfs/dbraw/zinc/31/75/44/448317544.db2.gz NCIQKJLYNVDGLR-DDTOSNHZSA-N 2 2 338.249 1.754 20 0 EDADLP C[C@H](c1cccc(Br)c1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577508900 448317550 /nfs/dbraw/zinc/31/75/50/448317550.db2.gz NCIQKJLYNVDGLR-DDTOSNHZSA-N 2 2 338.249 1.754 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000515309459 448289840 /nfs/dbraw/zinc/28/98/40/448289840.db2.gz GAEKJINTNNEIOA-HOCLYGCPSA-N 2 2 341.521 1.041 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000515309459 448289843 /nfs/dbraw/zinc/28/98/43/448289843.db2.gz GAEKJINTNNEIOA-HOCLYGCPSA-N 2 2 341.521 1.041 20 0 EDADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000572121452 448293979 /nfs/dbraw/zinc/29/39/79/448293979.db2.gz WLWWEHYZLRMJLF-MSOLQXFVSA-N 2 2 336.476 1.425 20 0 EDADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000572121452 448293984 /nfs/dbraw/zinc/29/39/84/448293984.db2.gz WLWWEHYZLRMJLF-MSOLQXFVSA-N 2 2 336.476 1.425 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000492822179 448303083 /nfs/dbraw/zinc/30/30/83/448303083.db2.gz HOJZXLCJPLBNSF-ZEVQVBBLSA-N 2 2 340.427 1.830 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000492822179 448303089 /nfs/dbraw/zinc/30/30/89/448303089.db2.gz HOJZXLCJPLBNSF-ZEVQVBBLSA-N 2 2 340.427 1.830 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000577474442 448304952 /nfs/dbraw/zinc/30/49/52/448304952.db2.gz DTPPNEXBHHVVSV-NWDGAFQWSA-N 2 2 333.823 1.739 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000582786635 448340721 /nfs/dbraw/zinc/34/07/21/448340721.db2.gz LPTFLVUDSCGEHL-OAHLLOKOSA-N 2 2 334.370 1.539 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000527719086 448344078 /nfs/dbraw/zinc/34/40/78/448344078.db2.gz GBOIPMYPCKRMBN-KRWDZBQOSA-N 2 2 328.416 1.381 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000582841268 448356365 /nfs/dbraw/zinc/35/63/65/448356365.db2.gz KEIAEQOPJVWMII-DOTOQJQBSA-N 2 2 342.443 1.457 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1c[nH+]c(N(C)C)n1C)CCC2 ZINC000533098174 448358307 /nfs/dbraw/zinc/35/83/07/448358307.db2.gz DVUYVEOICOKKCC-ZDUSSCGKSA-N 2 2 345.451 1.368 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1[nH+]c2cccc(F)c2n1C ZINC000565223947 448361748 /nfs/dbraw/zinc/36/17/48/448361748.db2.gz CFLTWRAJYUWOBM-IAQYHMDHSA-N 2 2 342.378 1.878 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)o1 ZINC000591344447 448333594 /nfs/dbraw/zinc/33/35/94/448333594.db2.gz IEPSWOUBDXWVOT-HUUCEWRRSA-N 2 2 337.464 1.960 20 0 EDADLP Cc1cc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n(C)n1 ZINC000515632683 448336721 /nfs/dbraw/zinc/33/67/21/448336721.db2.gz CFAIACXUTIUKBU-UHFFFAOYSA-N 2 2 347.507 1.338 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000566020097 448387880 /nfs/dbraw/zinc/38/78/80/448387880.db2.gz CMLCDFWBNAAMSM-OAHLLOKOSA-N 2 2 327.432 2.044 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000566020097 448387885 /nfs/dbraw/zinc/38/78/85/448387885.db2.gz CMLCDFWBNAAMSM-OAHLLOKOSA-N 2 2 327.432 2.044 20 0 EDADLP COc1c(N)nc[nH+]c1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000566020097 448387891 /nfs/dbraw/zinc/38/78/91/448387891.db2.gz CMLCDFWBNAAMSM-OAHLLOKOSA-N 2 2 327.432 2.044 20 0 EDADLP COc1c(N)nc[nH+]c1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000566020097 448387894 /nfs/dbraw/zinc/38/78/94/448387894.db2.gz CMLCDFWBNAAMSM-OAHLLOKOSA-N 2 2 327.432 2.044 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000566294857 448438567 /nfs/dbraw/zinc/43/85/67/448438567.db2.gz KWLVBDDJMIGAOY-MSOLQXFVSA-N 2 2 333.476 1.954 20 0 EDADLP Cn1c2ccccc2[nH+]c1NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000528127262 448439465 /nfs/dbraw/zinc/43/94/65/448439465.db2.gz ACNYZDRMOYRJGK-SFHVURJKSA-N 2 2 330.432 1.601 20 0 EDADLP Cn1c2ccccc2[nH+]c1NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000528127262 448439470 /nfs/dbraw/zinc/43/94/70/448439470.db2.gz ACNYZDRMOYRJGK-SFHVURJKSA-N 2 2 330.432 1.601 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000516580788 448444263 /nfs/dbraw/zinc/44/42/63/448444263.db2.gz RUDUIKGDFIWRHC-WCQYABFASA-N 2 2 348.838 1.671 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000516580788 448444267 /nfs/dbraw/zinc/44/42/67/448444267.db2.gz RUDUIKGDFIWRHC-WCQYABFASA-N 2 2 348.838 1.671 20 0 EDADLP C[NH+]1CCO[C@H](CSCCCCSC[C@H]2C[N@H+](C)CCO2)C1 ZINC000572760990 448459118 /nfs/dbraw/zinc/45/91/18/448459118.db2.gz MMUBPCMATRUIMM-IYBDPMFKSA-N 2 2 348.578 1.894 20 0 EDADLP C[NH+]1CCO[C@H](CSCCCCSC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000572760990 448459120 /nfs/dbraw/zinc/45/91/20/448459120.db2.gz MMUBPCMATRUIMM-IYBDPMFKSA-N 2 2 348.578 1.894 20 0 EDADLP C[NH+]1CCO[C@@H](CSCCCCSC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000572760990 448459124 /nfs/dbraw/zinc/45/91/24/448459124.db2.gz MMUBPCMATRUIMM-IYBDPMFKSA-N 2 2 348.578 1.894 20 0 EDADLP C[NH+]1CCO[C@@H](CSCCCCSC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000572760990 448459130 /nfs/dbraw/zinc/45/91/30/448459130.db2.gz MMUBPCMATRUIMM-IYBDPMFKSA-N 2 2 348.578 1.894 20 0 EDADLP Cc1cc(Br)ccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566491313 448491919 /nfs/dbraw/zinc/49/19/19/448491919.db2.gz QMAZZPHAEFQRRW-KGLIPLIRSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1cc(Br)ccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566491313 448491927 /nfs/dbraw/zinc/49/19/27/448491927.db2.gz QMAZZPHAEFQRRW-KGLIPLIRSA-N 2 2 338.249 1.501 20 0 EDADLP CCC(=O)Nc1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000516921722 448497041 /nfs/dbraw/zinc/49/70/41/448497041.db2.gz HSLDODMQZAXHQG-RKVPGOIHSA-N 2 2 349.475 1.595 20 0 EDADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1Br ZINC000578247749 448499311 /nfs/dbraw/zinc/49/93/11/448499311.db2.gz HXNXNKHMCCZHHU-GXTWGEPZSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1Br ZINC000578247749 448499319 /nfs/dbraw/zinc/49/93/19/448499319.db2.gz HXNXNKHMCCZHHU-GXTWGEPZSA-N 2 2 338.249 1.501 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000516970504 448513527 /nfs/dbraw/zinc/51/35/27/448513527.db2.gz QLNSQSLZQLMUKQ-HUUCEWRRSA-N 2 2 342.867 1.516 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000516970504 448513530 /nfs/dbraw/zinc/51/35/30/448513530.db2.gz QLNSQSLZQLMUKQ-HUUCEWRRSA-N 2 2 342.867 1.516 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2csc(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000572999125 448519953 /nfs/dbraw/zinc/51/99/53/448519953.db2.gz GQSTWMWIHDFECV-OAHLLOKOSA-N 2 2 330.457 1.454 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2csc(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000572999125 448519954 /nfs/dbraw/zinc/51/99/54/448519954.db2.gz GQSTWMWIHDFECV-OAHLLOKOSA-N 2 2 330.457 1.454 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)C1 ZINC000528419634 448521738 /nfs/dbraw/zinc/52/17/38/448521738.db2.gz ZLCMTZCKFMPDHI-RBUKOAKNSA-N 2 2 348.535 1.632 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)C1 ZINC000528419634 448521744 /nfs/dbraw/zinc/52/17/44/448521744.db2.gz ZLCMTZCKFMPDHI-RBUKOAKNSA-N 2 2 348.535 1.632 20 0 EDADLP Cc1cnn(C)c1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000573031207 448526116 /nfs/dbraw/zinc/52/61/16/448526116.db2.gz ANFFAAMUKVUXFY-GOSISDBHSA-N 2 2 327.476 1.807 20 0 EDADLP C[C@H](OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000578358653 448527508 /nfs/dbraw/zinc/52/75/08/448527508.db2.gz HAZVWHNZBCHWGE-RCBQFDQVSA-N 2 2 330.856 1.291 20 0 EDADLP CCCOc1ccc2c(c1)CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C2 ZINC000578518855 448568626 /nfs/dbraw/zinc/56/86/26/448568626.db2.gz GVNNILONTBOCFL-SFHVURJKSA-N 2 2 336.476 1.773 20 0 EDADLP CCCOc1ccc2c(c1)CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C2 ZINC000578518855 448568633 /nfs/dbraw/zinc/56/86/33/448568633.db2.gz GVNNILONTBOCFL-SFHVURJKSA-N 2 2 336.476 1.773 20 0 EDADLP CCCOc1ccc2c(c1)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C2 ZINC000578518855 448568639 /nfs/dbraw/zinc/56/86/39/448568639.db2.gz GVNNILONTBOCFL-SFHVURJKSA-N 2 2 336.476 1.773 20 0 EDADLP CCCOc1ccc2c(c1)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C2 ZINC000578518855 448568646 /nfs/dbraw/zinc/56/86/46/448568646.db2.gz GVNNILONTBOCFL-SFHVURJKSA-N 2 2 336.476 1.773 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000517326938 448571937 /nfs/dbraw/zinc/57/19/37/448571937.db2.gz YHTZXWURJUJUHE-STQMWFEESA-N 2 2 342.281 1.931 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000517326938 448571939 /nfs/dbraw/zinc/57/19/39/448571939.db2.gz YHTZXWURJUJUHE-STQMWFEESA-N 2 2 342.281 1.931 20 0 EDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2coc(-c3cccs3)n2)CC1 ZINC000578435851 448545336 /nfs/dbraw/zinc/54/53/36/448545336.db2.gz ULUUMACADQOASU-AWEZNQCLSA-N 2 2 336.461 1.101 20 0 EDADLP CC1(C)CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000567146956 448623400 /nfs/dbraw/zinc/62/34/00/448623400.db2.gz CVFAKSAQUAOACI-KRWDZBQOSA-N 2 2 346.475 1.281 20 0 EDADLP CC1(C)CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000567146956 448623406 /nfs/dbraw/zinc/62/34/06/448623406.db2.gz CVFAKSAQUAOACI-KRWDZBQOSA-N 2 2 346.475 1.281 20 0 EDADLP CC[C@H](O)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000573294450 448588554 /nfs/dbraw/zinc/58/85/54/448588554.db2.gz ZOEPSJUENZUQOK-KSZLIROESA-N 2 2 339.524 1.943 20 0 EDADLP CC[C@H](O)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000573294450 448588555 /nfs/dbraw/zinc/58/85/55/448588555.db2.gz ZOEPSJUENZUQOK-KSZLIROESA-N 2 2 339.524 1.943 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528702740 448638043 /nfs/dbraw/zinc/63/80/43/448638043.db2.gz CXNLZPLLCUKMJB-UHFFFAOYSA-N 2 2 328.372 1.894 20 0 EDADLP COCCn1ccc2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000567357996 448675908 /nfs/dbraw/zinc/67/59/08/448675908.db2.gz TULOBTVSNPPUJG-INIZCTEOSA-N 2 2 345.447 1.394 20 0 EDADLP COCCn1ccc2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000567357996 448675913 /nfs/dbraw/zinc/67/59/13/448675913.db2.gz TULOBTVSNPPUJG-INIZCTEOSA-N 2 2 345.447 1.394 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000519525055 448777309 /nfs/dbraw/zinc/77/73/09/448777309.db2.gz FCPJDKWFJAVJIU-KRWDZBQOSA-N 2 2 339.528 1.140 20 0 EDADLP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000579467245 448801000 /nfs/dbraw/zinc/80/10/00/448801000.db2.gz AHDJKDCGRSITPL-DZGCQCFKSA-N 2 2 328.420 1.551 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000592435134 448837038 /nfs/dbraw/zinc/83/70/38/448837038.db2.gz MZRZLSAUTCHBPB-QGZVFWFLSA-N 2 2 330.432 1.976 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000592435134 448837044 /nfs/dbraw/zinc/83/70/44/448837044.db2.gz MZRZLSAUTCHBPB-QGZVFWFLSA-N 2 2 330.432 1.976 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529364652 448842245 /nfs/dbraw/zinc/84/22/45/448842245.db2.gz XYYGIRQWYXRHBC-WBVHZDCISA-N 2 2 343.475 1.754 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000568371447 448861916 /nfs/dbraw/zinc/86/19/16/448861916.db2.gz FGKMGUNUIKVVGN-GINYUPMKSA-N 2 2 328.460 1.764 20 0 EDADLP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c(=O)[nH]1 ZINC000588687878 448913829 /nfs/dbraw/zinc/91/38/29/448913829.db2.gz GUYQQHRVHAIYNB-QGZVFWFLSA-N 2 2 329.444 1.987 20 0 EDADLP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c(=O)[nH]1 ZINC000588687878 448913833 /nfs/dbraw/zinc/91/38/33/448913833.db2.gz GUYQQHRVHAIYNB-QGZVFWFLSA-N 2 2 329.444 1.987 20 0 EDADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000579946863 448917974 /nfs/dbraw/zinc/91/79/74/448917974.db2.gz COKHPRNKLOXDSY-PKOBYXMFSA-N 3 2 348.535 1.314 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NC1CC[NH+](Cc2ccccc2)CC1 ZINC000568768003 448918624 /nfs/dbraw/zinc/91/86/24/448918624.db2.gz CWSPXHHHYWFPQU-UHFFFAOYSA-N 2 2 337.431 2.022 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000574641610 448923622 /nfs/dbraw/zinc/92/36/22/448923622.db2.gz ZNMNDNYSDWRAQH-AWEZNQCLSA-N 2 2 334.464 1.451 20 0 EDADLP CC[C@@H]1CCc2nc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])sc2C1 ZINC000574664296 448929882 /nfs/dbraw/zinc/92/98/82/448929882.db2.gz SGTKTYOYGWYHIU-VXGBXAGGSA-N 2 2 337.493 1.765 20 0 EDADLP CC[C@@H]1CCc2nc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])sc2C1 ZINC000574664296 448929889 /nfs/dbraw/zinc/92/98/89/448929889.db2.gz SGTKTYOYGWYHIU-VXGBXAGGSA-N 2 2 337.493 1.765 20 0 EDADLP C[C@@H]1CN(C(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)C[C@@]1(C)C[NH3+] ZINC000574862402 448972794 /nfs/dbraw/zinc/97/27/94/448972794.db2.gz WFJRHAXXBFKVBR-RVKKMQEKSA-N 2 2 346.479 1.019 20 0 EDADLP C[C@@H]1CN(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)C[C@@]1(C)C[NH3+] ZINC000574862402 448972800 /nfs/dbraw/zinc/97/28/00/448972800.db2.gz WFJRHAXXBFKVBR-RVKKMQEKSA-N 2 2 346.479 1.019 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000548049397 448976441 /nfs/dbraw/zinc/97/64/41/448976441.db2.gz MVWGZJRECWQJRK-QGZVFWFLSA-N 2 2 344.459 1.241 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000548049397 448976450 /nfs/dbraw/zinc/97/64/50/448976450.db2.gz MVWGZJRECWQJRK-QGZVFWFLSA-N 2 2 344.459 1.241 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000582107152 449011251 /nfs/dbraw/zinc/01/12/51/449011251.db2.gz OOWYKJGBGGDDJG-MAUKXSAKSA-N 2 2 341.459 1.782 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000582107152 449011258 /nfs/dbraw/zinc/01/12/58/449011258.db2.gz OOWYKJGBGGDDJG-MAUKXSAKSA-N 2 2 341.459 1.782 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000582184063 449032004 /nfs/dbraw/zinc/03/20/04/449032004.db2.gz KJXPGZWFYLEZPE-NVXWUHKLSA-N 2 2 334.464 1.405 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522288485 449074148 /nfs/dbraw/zinc/07/41/48/449074148.db2.gz LRLKFXDDUSDGFC-KRWDZBQOSA-N 2 2 339.443 1.967 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522288485 449074154 /nfs/dbraw/zinc/07/41/54/449074154.db2.gz LRLKFXDDUSDGFC-KRWDZBQOSA-N 2 2 339.443 1.967 20 0 EDADLP C[N@H+](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000548609332 449066880 /nfs/dbraw/zinc/06/68/80/449066880.db2.gz CSOWCTWHUJDXRI-MRXNPFEDSA-N 2 2 327.432 1.629 20 0 EDADLP C[N@@H+](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000548609332 449066884 /nfs/dbraw/zinc/06/68/84/449066884.db2.gz CSOWCTWHUJDXRI-MRXNPFEDSA-N 2 2 327.432 1.629 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000604175753 449185540 /nfs/dbraw/zinc/18/55/40/449185540.db2.gz AFFAOUOJXHCCIA-CGTJXYLNSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000604175753 449185543 /nfs/dbraw/zinc/18/55/43/449185543.db2.gz AFFAOUOJXHCCIA-CGTJXYLNSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175753 449185546 /nfs/dbraw/zinc/18/55/46/449185546.db2.gz AFFAOUOJXHCCIA-CGTJXYLNSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175753 449185548 /nfs/dbraw/zinc/18/55/48/449185548.db2.gz AFFAOUOJXHCCIA-CGTJXYLNSA-N 3 2 349.523 1.081 20 0 EDADLP Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000604177507 449187414 /nfs/dbraw/zinc/18/74/14/449187414.db2.gz GYUMSVPKSCOQJR-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000604177507 449187416 /nfs/dbraw/zinc/18/74/16/449187416.db2.gz GYUMSVPKSCOQJR-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP CCN(Cc1ccoc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207159 449191564 /nfs/dbraw/zinc/19/15/64/449191564.db2.gz AYSSCYGEDZCAJV-INIZCTEOSA-N 2 2 334.464 1.980 20 0 EDADLP CCN(Cc1ccoc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207159 449191570 /nfs/dbraw/zinc/19/15/70/449191570.db2.gz AYSSCYGEDZCAJV-INIZCTEOSA-N 2 2 334.464 1.980 20 0 EDADLP c1cc2cccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)c2[nH]1 ZINC000604418159 449228208 /nfs/dbraw/zinc/22/82/08/449228208.db2.gz JNYULDYKEFSRCT-SFHVURJKSA-N 2 2 328.460 1.664 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000595929629 449260239 /nfs/dbraw/zinc/26/02/39/449260239.db2.gz NSCGDTKINSZGSO-HKUYNNGSSA-N 2 2 342.487 1.459 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000590863145 449324462 /nfs/dbraw/zinc/32/44/62/449324462.db2.gz PPONDLUOWFOHRK-MRXNPFEDSA-N 2 2 335.452 1.340 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000617000242 449422285 /nfs/dbraw/zinc/42/22/85/449422285.db2.gz WAZJVBRRQCVIQT-WBVHZDCISA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000617000242 449422290 /nfs/dbraw/zinc/42/22/90/449422290.db2.gz WAZJVBRRQCVIQT-WBVHZDCISA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000617000242 449422297 /nfs/dbraw/zinc/42/22/97/449422297.db2.gz WAZJVBRRQCVIQT-WBVHZDCISA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000617000242 449422302 /nfs/dbraw/zinc/42/23/02/449422302.db2.gz WAZJVBRRQCVIQT-WBVHZDCISA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602197751 449425955 /nfs/dbraw/zinc/42/59/55/449425955.db2.gz WUKJNPHPSKFVCS-CQSZACIVSA-N 2 2 333.480 1.442 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602197751 449425957 /nfs/dbraw/zinc/42/59/57/449425957.db2.gz WUKJNPHPSKFVCS-CQSZACIVSA-N 2 2 333.480 1.442 20 0 EDADLP COC(=O)c1nccc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000596138750 449382465 /nfs/dbraw/zinc/38/24/65/449382465.db2.gz MULHLZPXNFZWNI-UHFFFAOYSA-N 2 2 347.463 1.047 20 0 EDADLP CCc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000602234469 449451070 /nfs/dbraw/zinc/45/10/70/449451070.db2.gz VIYUPWDQGPBWSC-CQSZACIVSA-N 2 2 329.452 1.267 20 0 EDADLP CCc1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000602234469 449451075 /nfs/dbraw/zinc/45/10/75/449451075.db2.gz VIYUPWDQGPBWSC-CQSZACIVSA-N 2 2 329.452 1.267 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614088540 449452360 /nfs/dbraw/zinc/45/23/60/449452360.db2.gz CZNXZQAQBBIQIQ-HZPDHXFCSA-N 2 2 329.379 1.526 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000611974550 449498639 /nfs/dbraw/zinc/49/86/39/449498639.db2.gz LXGMEONHFYJHEQ-CQSZACIVSA-N 2 2 340.464 1.722 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000611974550 449498644 /nfs/dbraw/zinc/49/86/44/449498644.db2.gz LXGMEONHFYJHEQ-CQSZACIVSA-N 2 2 340.464 1.722 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ncnc3sccc32)CC1 ZINC000611976230 449500542 /nfs/dbraw/zinc/50/05/42/449500542.db2.gz ADWPZDRBIZDKLC-UHFFFAOYSA-N 2 2 333.461 1.447 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH2+]CC1 ZINC000596649174 449585539 /nfs/dbraw/zinc/58/55/39/449585539.db2.gz CEIORCKWRZSEQI-CABCVRRESA-N 3 2 325.497 1.770 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH2+]CC1 ZINC000596649174 449585542 /nfs/dbraw/zinc/58/55/42/449585542.db2.gz CEIORCKWRZSEQI-CABCVRRESA-N 3 2 325.497 1.770 20 0 EDADLP COC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602443697 449591962 /nfs/dbraw/zinc/59/19/62/449591962.db2.gz KHEVUUKILFPHNH-KRWDZBQOSA-N 2 2 348.443 1.393 20 0 EDADLP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000602443697 449591966 /nfs/dbraw/zinc/59/19/66/449591966.db2.gz KHEVUUKILFPHNH-KRWDZBQOSA-N 2 2 348.443 1.393 20 0 EDADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000602490586 449629358 /nfs/dbraw/zinc/62/93/58/449629358.db2.gz CPLZTHDPGSGPRU-OAHLLOKOSA-N 2 2 328.372 1.054 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](CCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000607733044 449641296 /nfs/dbraw/zinc/64/12/96/449641296.db2.gz HMKCWSVVDUDUGP-IBGZPJMESA-N 2 2 345.487 1.425 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](CCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000607733044 449641301 /nfs/dbraw/zinc/64/13/01/449641301.db2.gz HMKCWSVVDUDUGP-IBGZPJMESA-N 2 2 345.487 1.425 20 0 EDADLP CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617554134 449684749 /nfs/dbraw/zinc/68/47/49/449684749.db2.gz XDOKEYVNQJTVOY-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000617554134 449684758 /nfs/dbraw/zinc/68/47/58/449684758.db2.gz XDOKEYVNQJTVOY-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](O)C(F)(F)F)CC1 ZINC000602744579 449779313 /nfs/dbraw/zinc/77/93/13/449779313.db2.gz SBEHVUFJDJVKQU-ZWNOBZJWSA-N 2 2 326.359 1.305 20 0 EDADLP OCCNc1nc(N2CCC[C@@H](n3cc[nH+]c3)C2)[nH+]c2ccccc21 ZINC000608082918 449745382 /nfs/dbraw/zinc/74/53/82/449745382.db2.gz QAONWZKQWMMAFI-CQSZACIVSA-N 2 2 338.415 2.072 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617703885 449751966 /nfs/dbraw/zinc/75/19/66/449751966.db2.gz QUDCYAFYRQUABX-QGZVFWFLSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617703885 449751967 /nfs/dbraw/zinc/75/19/67/449751967.db2.gz QUDCYAFYRQUABX-QGZVFWFLSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617703885 449751969 /nfs/dbraw/zinc/75/19/69/449751969.db2.gz QUDCYAFYRQUABX-QGZVFWFLSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617703885 449751970 /nfs/dbraw/zinc/75/19/70/449751970.db2.gz QUDCYAFYRQUABX-QGZVFWFLSA-N 2 2 328.416 1.225 20 0 EDADLP Cn1ncc(C(F)(F)F)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763350 449822089 /nfs/dbraw/zinc/82/20/89/449822089.db2.gz OEVWROPGHMTBHB-UHFFFAOYSA-N 2 2 335.374 1.052 20 0 EDADLP Cn1ncc(C(F)(F)F)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763350 449822094 /nfs/dbraw/zinc/82/20/94/449822094.db2.gz OEVWROPGHMTBHB-UHFFFAOYSA-N 2 2 335.374 1.052 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC000617763397 449822217 /nfs/dbraw/zinc/82/22/17/449822217.db2.gz PNTURLYJFXBHNX-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC000617763397 449822220 /nfs/dbraw/zinc/82/22/20/449822220.db2.gz PNTURLYJFXBHNX-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnn1CC(F)(F)F ZINC000617763644 449823204 /nfs/dbraw/zinc/82/32/04/449823204.db2.gz WPAULYJNFGQHDM-UHFFFAOYSA-N 2 2 335.374 1.059 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnn1CC(F)(F)F ZINC000617763644 449823207 /nfs/dbraw/zinc/82/32/07/449823207.db2.gz WPAULYJNFGQHDM-UHFFFAOYSA-N 2 2 335.374 1.059 20 0 EDADLP CC(=O)Nc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000617767443 449830786 /nfs/dbraw/zinc/83/07/86/449830786.db2.gz VSEGOFOBHHNFLM-UHFFFAOYSA-N 2 2 338.427 1.397 20 0 EDADLP CC(=O)Nc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000617767443 449830792 /nfs/dbraw/zinc/83/07/92/449830792.db2.gz VSEGOFOBHHNFLM-UHFFFAOYSA-N 2 2 338.427 1.397 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2ccncc2)on1 ZINC000617767488 449831123 /nfs/dbraw/zinc/83/11/23/449831123.db2.gz XSVFRQKSAFBQKU-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2ccncc2)on1 ZINC000617767488 449831128 /nfs/dbraw/zinc/83/11/28/449831128.db2.gz XSVFRQKSAFBQKU-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP Cc1nn(-c2ccccc2)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767414 449831894 /nfs/dbraw/zinc/83/18/94/449831894.db2.gz UBAUTVHDPASNEC-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP Cc1nn(-c2ccccc2)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767414 449831899 /nfs/dbraw/zinc/83/18/99/449831899.db2.gz UBAUTVHDPASNEC-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP C[C@@H](Oc1ccc(F)cc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768442 449834068 /nfs/dbraw/zinc/83/40/68/449834068.db2.gz DIJXCHUOTUYAJI-CQSZACIVSA-N 2 2 325.428 1.593 20 0 EDADLP C[C@@H](Oc1ccc(F)cc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768442 449834073 /nfs/dbraw/zinc/83/40/73/449834073.db2.gz DIJXCHUOTUYAJI-CQSZACIVSA-N 2 2 325.428 1.593 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC3CC[NH+](C)CC3)ccc2n1C ZINC000608511670 449863316 /nfs/dbraw/zinc/86/33/16/449863316.db2.gz WFITZAWEIMSLJN-UHFFFAOYSA-N 2 2 329.404 1.031 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000615088907 449950215 /nfs/dbraw/zinc/95/02/15/449950215.db2.gz VDIDCCYKKFFPHS-LSDHHAIUSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000615088907 449950219 /nfs/dbraw/zinc/95/02/19/449950219.db2.gz VDIDCCYKKFFPHS-LSDHHAIUSA-N 2 2 332.448 1.157 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000595300079 450013759 /nfs/dbraw/zinc/01/37/59/450013759.db2.gz MFELPMUNWJUHMF-LSDHHAIUSA-N 2 2 348.447 1.463 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000595300079 450013766 /nfs/dbraw/zinc/01/37/66/450013766.db2.gz MFELPMUNWJUHMF-LSDHHAIUSA-N 2 2 348.447 1.463 20 0 EDADLP COC(=O)CC[C@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000595311777 450026430 /nfs/dbraw/zinc/02/64/30/450026430.db2.gz XVQLQOKMIRIXPL-OAHLLOKOSA-N 2 2 328.453 1.533 20 0 EDADLP COC(=O)CC[C@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000595311777 450026436 /nfs/dbraw/zinc/02/64/36/450026436.db2.gz XVQLQOKMIRIXPL-OAHLLOKOSA-N 2 2 328.453 1.533 20 0 EDADLP CC(C)(C)[N@@H+]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000601513770 450034890 /nfs/dbraw/zinc/03/48/90/450034890.db2.gz KZQOWKYBRBRBSV-INIZCTEOSA-N 2 2 347.507 1.996 20 0 EDADLP CC(C)(C)[N@H+]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000601513770 450034896 /nfs/dbraw/zinc/03/48/96/450034896.db2.gz KZQOWKYBRBRBSV-INIZCTEOSA-N 2 2 347.507 1.996 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000613128541 450037717 /nfs/dbraw/zinc/03/77/17/450037717.db2.gz LSPYLSVFJDYHAH-CQSZACIVSA-N 2 2 343.431 1.166 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)ccn1 ZINC000613128541 450037721 /nfs/dbraw/zinc/03/77/21/450037721.db2.gz LSPYLSVFJDYHAH-CQSZACIVSA-N 2 2 343.431 1.166 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)c1ccc2[nH+]ccn2c1)C(C)C ZINC000603062995 450047208 /nfs/dbraw/zinc/04/72/08/450047208.db2.gz PQHYJIWKGINWHQ-HNNXBMFYSA-N 2 2 332.404 1.241 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)C1 ZINC000609672756 450082073 /nfs/dbraw/zinc/08/20/73/450082073.db2.gz RTHMWZLKZWGAFJ-GAJHUEQPSA-N 2 2 335.517 1.506 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)C1 ZINC000609672756 450082077 /nfs/dbraw/zinc/08/20/77/450082077.db2.gz RTHMWZLKZWGAFJ-GAJHUEQPSA-N 2 2 335.517 1.506 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cc[nH+]c(N(C)C)c3)C2)CC1 ZINC000603145008 450091481 /nfs/dbraw/zinc/09/14/81/450091481.db2.gz WWQGALSCJYULAQ-INIZCTEOSA-N 2 2 346.479 1.391 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000597725711 450223436 /nfs/dbraw/zinc/22/34/36/450223436.db2.gz SPUGVHZBAPSKBA-INIZCTEOSA-N 2 2 328.416 1.661 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000597725711 450223441 /nfs/dbraw/zinc/22/34/41/450223441.db2.gz SPUGVHZBAPSKBA-INIZCTEOSA-N 2 2 328.416 1.661 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC000610726997 450313374 /nfs/dbraw/zinc/31/33/74/450313374.db2.gz JEGKWTPIVAHBBD-KRWDZBQOSA-N 2 2 333.480 1.290 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1)[C@]1(CO)CCOC1)C1CC1 ZINC000625389961 450328472 /nfs/dbraw/zinc/32/84/72/450328472.db2.gz MURYFSSAVOVDLH-OALUTQOASA-N 2 2 334.460 1.095 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccccc1)[C@]1(CO)CCOC1)C1CC1 ZINC000625389961 450328474 /nfs/dbraw/zinc/32/84/74/450328474.db2.gz MURYFSSAVOVDLH-OALUTQOASA-N 2 2 334.460 1.095 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1)C1CC1 ZINC000625389961 450328478 /nfs/dbraw/zinc/32/84/78/450328478.db2.gz MURYFSSAVOVDLH-OALUTQOASA-N 2 2 334.460 1.095 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1)C1CC1 ZINC000625389961 450328480 /nfs/dbraw/zinc/32/84/80/450328480.db2.gz MURYFSSAVOVDLH-OALUTQOASA-N 2 2 334.460 1.095 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000603783137 450348472 /nfs/dbraw/zinc/34/84/72/450348472.db2.gz CVRWZKTXTQDERJ-INIZCTEOSA-N 2 2 330.432 1.107 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000603783137 450348474 /nfs/dbraw/zinc/34/84/74/450348474.db2.gz CVRWZKTXTQDERJ-INIZCTEOSA-N 2 2 330.432 1.107 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619967758 450386113 /nfs/dbraw/zinc/38/61/13/450386113.db2.gz VFZHQYVODBILDG-MUIFIZLQSA-N 2 2 344.459 1.283 20 0 EDADLP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000603916558 450377278 /nfs/dbraw/zinc/37/72/78/450377278.db2.gz ZCSAHFCYOXPBOL-INIZCTEOSA-N 2 2 325.416 1.574 20 0 EDADLP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000603916558 450377284 /nfs/dbraw/zinc/37/72/84/450377284.db2.gz ZCSAHFCYOXPBOL-INIZCTEOSA-N 2 2 325.416 1.574 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000623271047 450472564 /nfs/dbraw/zinc/47/25/64/450472564.db2.gz RJZOKNCBNKPNOF-HOTGVXAUSA-N 2 2 325.416 1.231 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000623271047 450472567 /nfs/dbraw/zinc/47/25/67/450472567.db2.gz RJZOKNCBNKPNOF-HOTGVXAUSA-N 2 2 325.416 1.231 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000623342418 450501161 /nfs/dbraw/zinc/50/11/61/450501161.db2.gz ZEQZGPAVKUCPGA-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000623342418 450501164 /nfs/dbraw/zinc/50/11/64/450501164.db2.gz ZEQZGPAVKUCPGA-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000623342499 450501389 /nfs/dbraw/zinc/50/13/89/450501389.db2.gz CTCIJOQFTHRYDO-HUUCEWRRSA-N 2 2 336.436 1.046 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000623342499 450501392 /nfs/dbraw/zinc/50/13/92/450501392.db2.gz CTCIJOQFTHRYDO-HUUCEWRRSA-N 2 2 336.436 1.046 20 0 EDADLP CN(C)c1c(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc(F)c1F ZINC000623372890 450507832 /nfs/dbraw/zinc/50/78/32/450507832.db2.gz KPRGGFRMKFHOIK-UHFFFAOYSA-N 2 2 327.419 1.967 20 0 EDADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)CCCCCC1 ZINC000623399547 450514576 /nfs/dbraw/zinc/51/45/76/450514576.db2.gz QPZDEHZUIOUDTQ-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2COCC[N@H+]2C)CCCCCC1 ZINC000623399547 450514577 /nfs/dbraw/zinc/51/45/77/450514577.db2.gz QPZDEHZUIOUDTQ-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC000620724177 450534008 /nfs/dbraw/zinc/53/40/08/450534008.db2.gz XAOUNZBDHBAMJA-IBGZPJMESA-N 2 2 346.519 1.651 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC000620724177 450534009 /nfs/dbraw/zinc/53/40/09/450534009.db2.gz XAOUNZBDHBAMJA-IBGZPJMESA-N 2 2 346.519 1.651 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626127891 450579859 /nfs/dbraw/zinc/57/98/59/450579859.db2.gz ZQPKQZBHQDEYFF-HZPDHXFCSA-N 2 2 340.439 1.563 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626127891 450579860 /nfs/dbraw/zinc/57/98/60/450579860.db2.gz ZQPKQZBHQDEYFF-HZPDHXFCSA-N 2 2 340.439 1.563 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626127891 450579861 /nfs/dbraw/zinc/57/98/61/450579861.db2.gz ZQPKQZBHQDEYFF-HZPDHXFCSA-N 2 2 340.439 1.563 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626127891 450579862 /nfs/dbraw/zinc/57/98/62/450579862.db2.gz ZQPKQZBHQDEYFF-HZPDHXFCSA-N 2 2 340.439 1.563 20 0 EDADLP CC(C)(CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[NH+]1CCOCC1 ZINC000635110535 450656891 /nfs/dbraw/zinc/65/68/91/450656891.db2.gz YNIRYSNVEACCPE-LBPRGKRZSA-N 2 2 348.369 1.604 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000626289388 450666753 /nfs/dbraw/zinc/66/67/53/450666753.db2.gz RHXJSBTWKUPYAS-HNNXBMFYSA-N 2 2 336.436 1.079 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000626289388 450666759 /nfs/dbraw/zinc/66/67/59/450666759.db2.gz RHXJSBTWKUPYAS-HNNXBMFYSA-N 2 2 336.436 1.079 20 0 EDADLP CC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000629439382 450684752 /nfs/dbraw/zinc/68/47/52/450684752.db2.gz WXRGMADGCAFSJV-SFHVURJKSA-N 2 2 346.475 1.131 20 0 EDADLP CC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000629439382 450684760 /nfs/dbraw/zinc/68/47/60/450684760.db2.gz WXRGMADGCAFSJV-SFHVURJKSA-N 2 2 346.475 1.131 20 0 EDADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000624086427 450700658 /nfs/dbraw/zinc/70/06/58/450700658.db2.gz FXXZHYZGPKNJKN-KKUMJFAQSA-N 2 2 325.497 1.898 20 0 EDADLP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000624086427 450700661 /nfs/dbraw/zinc/70/06/61/450700661.db2.gz FXXZHYZGPKNJKN-KKUMJFAQSA-N 2 2 325.497 1.898 20 0 EDADLP C[NH+](C)[C@@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1cccc(F)c1 ZINC000631664424 450702931 /nfs/dbraw/zinc/70/29/31/450702931.db2.gz SLNQXPWZDYFBFH-HNNXBMFYSA-N 2 2 343.468 1.442 20 0 EDADLP O[C@H](C[NH2+]Cc1cc(F)ccc1N1CCOCC1)C[NH+]1CCCC1 ZINC000629565444 450738656 /nfs/dbraw/zinc/73/86/56/450738656.db2.gz PQRODHSXVPWMIJ-QGZVFWFLSA-N 2 2 337.439 1.209 20 0 EDADLP Cc1ccc2[nH+]c(CNS(=O)(=O)CCC[NH+]3CCCC3)cn2c1 ZINC000631782211 450772526 /nfs/dbraw/zinc/77/25/26/450772526.db2.gz HCRATGYOETYIDM-UHFFFAOYSA-N 2 2 336.461 1.548 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633257460 450760503 /nfs/dbraw/zinc/76/05/03/450760503.db2.gz VZILOOATNUZSLZ-MRXNPFEDSA-N 2 2 328.416 1.653 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C[NH3+] ZINC000631840387 450809288 /nfs/dbraw/zinc/80/92/88/450809288.db2.gz BTLMAQPHEGXTIU-ZIAGYGMSSA-N 2 2 330.432 1.279 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C[NH3+] ZINC000631840387 450809292 /nfs/dbraw/zinc/80/92/92/450809292.db2.gz BTLMAQPHEGXTIU-ZIAGYGMSSA-N 2 2 330.432 1.279 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635313104 450838227 /nfs/dbraw/zinc/83/82/27/450838227.db2.gz IQJICARZMRAYMN-NEPJUHHUSA-N 2 2 334.342 1.214 20 0 EDADLP C[NH+](C)CCN(c1ccccc1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631836286 450805897 /nfs/dbraw/zinc/80/58/97/450805897.db2.gz SPBFAUPBBIMYFM-UHFFFAOYSA-N 2 2 325.478 1.479 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCC[C@@H](C(F)(F)F)C1 ZINC000631887569 450849152 /nfs/dbraw/zinc/84/91/52/450849152.db2.gz OYODIFCZLVSZOO-MCIONIFRSA-N 2 2 333.398 1.861 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCC[C@@H](C(F)(F)F)C1 ZINC000631887569 450849156 /nfs/dbraw/zinc/84/91/56/450849156.db2.gz OYODIFCZLVSZOO-MCIONIFRSA-N 2 2 333.398 1.861 20 0 EDADLP C[C@H](C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000635357779 450878003 /nfs/dbraw/zinc/87/80/03/450878003.db2.gz MZACTHZHSWFJNQ-GOSISDBHSA-N 2 2 346.519 1.651 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)C(C)(C)c3c[nH]c[nH+]3)C2)nc(C)[nH+]1 ZINC000621862388 450904527 /nfs/dbraw/zinc/90/45/27/450904527.db2.gz HYKUBRPKKQWQEJ-CQSZACIVSA-N 2 2 342.447 1.879 20 0 EDADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635400820 450907485 /nfs/dbraw/zinc/90/74/85/450907485.db2.gz HFOFJLHOGQYRSS-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635400820 450907489 /nfs/dbraw/zinc/90/74/89/450907489.db2.gz HFOFJLHOGQYRSS-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000635400820 450907492 /nfs/dbraw/zinc/90/74/92/450907492.db2.gz HFOFJLHOGQYRSS-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000635400820 450907495 /nfs/dbraw/zinc/90/74/95/450907495.db2.gz HFOFJLHOGQYRSS-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP C[N@H+](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)CC(C)(C)C ZINC000635412765 450920424 /nfs/dbraw/zinc/92/04/24/450920424.db2.gz VDINVLJPBKBPAU-KRWDZBQOSA-N 2 2 343.537 1.288 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)CC(C)(C)C ZINC000635412765 450920426 /nfs/dbraw/zinc/92/04/26/450920426.db2.gz VDINVLJPBKBPAU-KRWDZBQOSA-N 2 2 343.537 1.288 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCO1 ZINC000635464643 450965395 /nfs/dbraw/zinc/96/53/95/450965395.db2.gz HWFLCWMONJLTNH-NEPJUHHUSA-N 2 2 334.342 1.214 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCO1 ZINC000635464643 450965401 /nfs/dbraw/zinc/96/54/01/450965401.db2.gz HWFLCWMONJLTNH-NEPJUHHUSA-N 2 2 334.342 1.214 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000635478393 450976725 /nfs/dbraw/zinc/97/67/25/450976725.db2.gz CLHKMPJJNNVIJK-UHFFFAOYSA-N 2 2 330.432 1.873 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000635480308 450979448 /nfs/dbraw/zinc/97/94/48/450979448.db2.gz RLWAZTMSNRAXAZ-FUHWJXTLSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000635480308 450979456 /nfs/dbraw/zinc/97/94/56/450979456.db2.gz RLWAZTMSNRAXAZ-FUHWJXTLSA-N 2 2 331.460 1.822 20 0 EDADLP C[C@H]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C[NH2+]1 ZINC000626927326 451010218 /nfs/dbraw/zinc/01/02/18/451010218.db2.gz XUGQNBSESRAJMZ-YOEHRIQHSA-N 2 2 327.432 1.871 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC(OCC[NH+](C)C)CC3)cc2[nH+]1 ZINC000635556952 451054136 /nfs/dbraw/zinc/05/41/36/451054136.db2.gz MFIFTBNCUMAYML-UHFFFAOYSA-N 2 2 330.432 1.826 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000622176786 451089083 /nfs/dbraw/zinc/08/90/83/451089083.db2.gz FGKGDDHDKCXBAB-SFHVURJKSA-N 2 2 337.508 1.822 20 0 EDADLP C[N@H+]1CCCC[C@H]1CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000622176786 451089088 /nfs/dbraw/zinc/08/90/88/451089088.db2.gz FGKGDDHDKCXBAB-SFHVURJKSA-N 2 2 337.508 1.822 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635600305 451095452 /nfs/dbraw/zinc/09/54/52/451095452.db2.gz TWALVCZXNFVTEX-NEWSRXKRSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000635600305 451095453 /nfs/dbraw/zinc/09/54/53/451095453.db2.gz TWALVCZXNFVTEX-NEWSRXKRSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635600305 451095457 /nfs/dbraw/zinc/09/54/57/451095457.db2.gz TWALVCZXNFVTEX-NEWSRXKRSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635600305 451095458 /nfs/dbraw/zinc/09/54/58/451095458.db2.gz TWALVCZXNFVTEX-NEWSRXKRSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635677478 451161878 /nfs/dbraw/zinc/16/18/78/451161878.db2.gz STASVALYLJJPBD-KGYLQXTDSA-N 2 2 330.354 1.976 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635677478 451161882 /nfs/dbraw/zinc/16/18/82/451161882.db2.gz STASVALYLJJPBD-KGYLQXTDSA-N 2 2 330.354 1.976 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632276837 451165346 /nfs/dbraw/zinc/16/53/46/451165346.db2.gz YKZLKDWNXDFTMT-UHFFFAOYSA-N 2 2 342.509 1.582 20 0 EDADLP C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194652 451231295 /nfs/dbraw/zinc/23/12/95/451231295.db2.gz MPYWQKQZUAJZEQ-GOEBONIOSA-N 2 2 348.447 1.356 20 0 EDADLP COCC1(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCCC1 ZINC000634195194 451232409 /nfs/dbraw/zinc/23/24/09/451232409.db2.gz VQTVQVLVDHNHKR-UHFFFAOYSA-N 2 2 332.448 1.979 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3Cc4ccccc4O3)c2)CC1 ZINC000634197518 451233682 /nfs/dbraw/zinc/23/36/82/451233682.db2.gz JEQXQQRHAIGNER-QGZVFWFLSA-N 2 2 338.411 1.776 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000638090661 451255552 /nfs/dbraw/zinc/25/55/52/451255552.db2.gz JLBSQACPWPQBJK-MRXNPFEDSA-N 2 2 328.416 1.694 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4c(O)cccc4C3)cn2)CC1 ZINC000628463842 451256893 /nfs/dbraw/zinc/25/68/93/451256893.db2.gz XVWBDBCHRZIKRA-UHFFFAOYSA-N 2 2 339.443 1.492 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4c(O)cccc4C3)cn2)CC1 ZINC000628463842 451256900 /nfs/dbraw/zinc/25/69/00/451256900.db2.gz XVWBDBCHRZIKRA-UHFFFAOYSA-N 2 2 339.443 1.492 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000635813343 451262160 /nfs/dbraw/zinc/26/21/60/451262160.db2.gz ZRJYYTONEZYJLJ-UHFFFAOYSA-N 2 2 335.496 1.539 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000635813343 451262162 /nfs/dbraw/zinc/26/21/62/451262162.db2.gz ZRJYYTONEZYJLJ-UHFFFAOYSA-N 2 2 335.496 1.539 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000638103761 451270035 /nfs/dbraw/zinc/27/00/35/451270035.db2.gz BZWOULXHZWOKLT-LPHOPBHVSA-N 2 2 346.475 1.845 20 0 EDADLP O=C(CCC1C[NH2+]C1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000638112044 451279697 /nfs/dbraw/zinc/27/96/97/451279697.db2.gz IYTQCOMUDFJNLW-GOSISDBHSA-N 2 2 331.460 1.046 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2)CC1 ZINC000634194931 451232149 /nfs/dbraw/zinc/23/21/49/451232149.db2.gz YUVPDKIMJHBLEK-CQSZACIVSA-N 3 2 340.431 1.231 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCn4cncc4C3)c2)CC1 ZINC000634194931 451232152 /nfs/dbraw/zinc/23/21/52/451232152.db2.gz YUVPDKIMJHBLEK-CQSZACIVSA-N 2 2 340.431 1.231 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000638130424 451301379 /nfs/dbraw/zinc/30/13/79/451301379.db2.gz FVXYAMHDAXHEMR-APWZRJJASA-N 2 2 342.443 1.509 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000635858112 451305205 /nfs/dbraw/zinc/30/52/05/451305205.db2.gz FARXQPAVLDPBMP-LLVKDONJSA-N 2 2 342.325 1.449 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640446209 451322958 /nfs/dbraw/zinc/32/29/58/451322958.db2.gz SVZOKWCPDDLNTQ-OAHLLOKOSA-N 2 2 325.416 1.579 20 0 EDADLP C[NH+](C)CC1(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)CC1 ZINC000635914149 451358705 /nfs/dbraw/zinc/35/87/05/451358705.db2.gz GLFIPDWWPFLCKY-UHFFFAOYSA-N 2 2 336.505 1.949 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000634511185 451378652 /nfs/dbraw/zinc/37/86/52/451378652.db2.gz DMEIRPPDEIAZFN-ZACQAIPSSA-N 2 2 345.491 1.425 20 0 EDADLP Cc1cn2ccc(C(=O)N3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2[nH+]1 ZINC000638261226 451385618 /nfs/dbraw/zinc/38/56/18/451385618.db2.gz GGSLDOLGGJGWRF-OAHLLOKOSA-N 2 2 328.416 1.470 20 0 EDADLP [NH3+]C1(CC(=O)NCc2c[nH+]c[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000638282690 451401906 /nfs/dbraw/zinc/40/19/06/451401906.db2.gz UIGPOEIFXJZKJO-UHFFFAOYSA-N 3 2 327.432 1.410 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000638286753 451404052 /nfs/dbraw/zinc/40/40/52/451404052.db2.gz PWWFLGVDTCDFHP-GBESFXJTSA-N 2 2 344.503 1.388 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000638286753 451404057 /nfs/dbraw/zinc/40/40/57/451404057.db2.gz PWWFLGVDTCDFHP-GBESFXJTSA-N 2 2 344.503 1.388 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)C2)C1 ZINC000635972606 451407360 /nfs/dbraw/zinc/40/73/60/451407360.db2.gz OVZUCPJQGMUFLC-GOSISDBHSA-N 2 2 326.400 1.746 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)C2)C1 ZINC000635972606 451407365 /nfs/dbraw/zinc/40/73/65/451407365.db2.gz OVZUCPJQGMUFLC-GOSISDBHSA-N 2 2 326.400 1.746 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640603895 451449719 /nfs/dbraw/zinc/44/97/19/451449719.db2.gz HEQDEZPJQCMAEA-UHFFFAOYSA-N 2 2 335.452 1.722 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC([C@H]3[NH2+]CC3(C)C)CC1)CC2 ZINC000638353069 451453965 /nfs/dbraw/zinc/45/39/65/451453965.db2.gz TVIDUZPUFTXOMQ-NVXWUHKLSA-N 2 2 330.476 1.991 20 0 EDADLP C[C@H](CNC(=O)Nc1ccnc(C[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000640608578 451454986 /nfs/dbraw/zinc/45/49/86/451454986.db2.gz WOMRYBWQGJMSNX-CQSZACIVSA-N 2 2 335.452 1.233 20 0 EDADLP Cc1cc(CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000638354890 451455242 /nfs/dbraw/zinc/45/52/42/451455242.db2.gz XKYMQFNIDNFKBQ-SFHVURJKSA-N 2 2 326.444 1.774 20 0 EDADLP Cc1cc(CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000638354890 451455243 /nfs/dbraw/zinc/45/52/43/451455243.db2.gz XKYMQFNIDNFKBQ-SFHVURJKSA-N 2 2 326.444 1.774 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000634699989 451473842 /nfs/dbraw/zinc/47/38/42/451473842.db2.gz RTXSYTCOXBFNMV-MOPGFXCFSA-N 2 2 348.487 1.533 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000634699989 451473847 /nfs/dbraw/zinc/47/38/47/451473847.db2.gz RTXSYTCOXBFNMV-MOPGFXCFSA-N 2 2 348.487 1.533 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000628917283 451478601 /nfs/dbraw/zinc/47/86/01/451478601.db2.gz CCRNGJRZEBWYSV-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000628917283 451478608 /nfs/dbraw/zinc/47/86/08/451478608.db2.gz CCRNGJRZEBWYSV-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000628917283 451478612 /nfs/dbraw/zinc/47/86/12/451478612.db2.gz CCRNGJRZEBWYSV-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000628917283 451478620 /nfs/dbraw/zinc/47/86/20/451478620.db2.gz CCRNGJRZEBWYSV-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634711476 451491505 /nfs/dbraw/zinc/49/15/05/451491505.db2.gz PKHSDNYMZMOFKH-NEWSRXKRSA-N 2 2 348.487 1.389 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634711476 451491510 /nfs/dbraw/zinc/49/15/10/451491510.db2.gz PKHSDNYMZMOFKH-NEWSRXKRSA-N 2 2 348.487 1.389 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([N@@H+]4CCCOCC4)CC3)cc2[nH+]1 ZINC000636021917 451443626 /nfs/dbraw/zinc/44/36/26/451443626.db2.gz MYFPKWVLGFVVKH-UHFFFAOYSA-N 2 2 342.443 1.970 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([N@H+]4CCCOCC4)CC3)cc2[nH+]1 ZINC000636021917 451443631 /nfs/dbraw/zinc/44/36/31/451443631.db2.gz MYFPKWVLGFVVKH-UHFFFAOYSA-N 2 2 342.443 1.970 20 0 EDADLP COc1cncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000630862324 451445580 /nfs/dbraw/zinc/44/55/80/451445580.db2.gz GYOHFTCVNSPCOW-UHFFFAOYSA-N 2 2 346.475 1.687 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000630862584 451445663 /nfs/dbraw/zinc/44/56/63/451445663.db2.gz JRXZDWCDMWFXBK-ZWKOTPCHSA-N 3 2 336.524 1.392 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000630862584 451445666 /nfs/dbraw/zinc/44/56/66/451445666.db2.gz JRXZDWCDMWFXBK-ZWKOTPCHSA-N 3 2 336.524 1.392 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640600660 451447202 /nfs/dbraw/zinc/44/72/02/451447202.db2.gz RHZYUPYSGVUMAE-HIFRSBDPSA-N 2 2 333.436 1.475 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638343928 451447652 /nfs/dbraw/zinc/44/76/52/451447652.db2.gz OGOICPIFDYAZRD-SFHVURJKSA-N 3 2 344.503 1.580 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636784899 451506102 /nfs/dbraw/zinc/50/61/02/451506102.db2.gz ANIYWJMWRFARIW-DLBZAZTESA-N 2 2 339.443 1.772 20 0 EDADLP Cc1nnsc1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000638453290 451523230 /nfs/dbraw/zinc/52/32/30/451523230.db2.gz AXVTWQHIQMYNLD-UHFFFAOYSA-N 2 2 346.460 1.070 20 0 EDADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638467725 451530954 /nfs/dbraw/zinc/53/09/54/451530954.db2.gz OKMHGULYXNWWPA-SNVBAGLBSA-N 2 2 326.242 1.922 20 0 EDADLP Cc1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(C)[nH+]1 ZINC000631015052 451536644 /nfs/dbraw/zinc/53/66/44/451536644.db2.gz OEZMFKAVGNKHTF-UHFFFAOYSA-N 2 2 334.464 1.651 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000638492367 451541949 /nfs/dbraw/zinc/54/19/49/451541949.db2.gz OQLVFMYPXIALHA-GOSISDBHSA-N 2 2 326.444 1.930 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631035736 451543836 /nfs/dbraw/zinc/54/38/36/451543836.db2.gz PNVMJJXXRRHVEP-OAHLLOKOSA-N 2 2 340.431 1.763 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000631075356 451570155 /nfs/dbraw/zinc/57/01/55/451570155.db2.gz BHFLMLIDYYYIJA-MRXNPFEDSA-N 2 2 335.423 1.157 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631098511 451583130 /nfs/dbraw/zinc/58/31/30/451583130.db2.gz PVJRPCWWGRLZPT-DLBZAZTESA-N 2 2 335.496 1.772 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631098511 451583136 /nfs/dbraw/zinc/58/31/36/451583136.db2.gz PVJRPCWWGRLZPT-DLBZAZTESA-N 2 2 335.496 1.772 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000631109852 451590081 /nfs/dbraw/zinc/59/00/81/451590081.db2.gz HXGFVCVMGUHFEM-KRWDZBQOSA-N 2 2 329.448 1.715 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000631109852 451590087 /nfs/dbraw/zinc/59/00/87/451590087.db2.gz HXGFVCVMGUHFEM-KRWDZBQOSA-N 2 2 329.448 1.715 20 0 EDADLP COc1cc(C[C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccn1 ZINC000638595449 451596082 /nfs/dbraw/zinc/59/60/82/451596082.db2.gz ASBAVMWLVBWCDA-WMZOPIPTSA-N 2 2 348.491 1.017 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000638600844 451599069 /nfs/dbraw/zinc/59/90/69/451599069.db2.gz GCVPNQSAMROEAC-AWEZNQCLSA-N 2 2 329.366 1.869 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636987638 451663919 /nfs/dbraw/zinc/66/39/19/451663919.db2.gz QCBWZMIQDMYLMX-HLPPOEQASA-N 2 2 326.485 1.124 20 0 EDADLP CCOCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCc2ccccc21 ZINC000638631528 451620216 /nfs/dbraw/zinc/62/02/16/451620216.db2.gz VVOCYQMOFAJTHO-QZTJIDSGSA-N 2 2 333.476 1.818 20 0 EDADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)CC1 ZINC000638636967 451624743 /nfs/dbraw/zinc/62/47/43/451624743.db2.gz KHRPSCWTIQTOAF-CABCVRRESA-N 2 2 325.497 1.913 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000634961588 451625730 /nfs/dbraw/zinc/62/57/30/451625730.db2.gz YLHDXUGJYMLLEE-UHFFFAOYSA-N 2 2 348.422 1.999 20 0 EDADLP Cc1nc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631177858 451626997 /nfs/dbraw/zinc/62/69/97/451626997.db2.gz ATECFDXTLIWYOY-XJKSGUPXSA-N 2 2 326.448 1.897 20 0 EDADLP Cc1nc(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631177858 451627004 /nfs/dbraw/zinc/62/70/04/451627004.db2.gz ATECFDXTLIWYOY-XJKSGUPXSA-N 2 2 326.448 1.897 20 0 EDADLP Cc1nc(N)nc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000631177858 451627012 /nfs/dbraw/zinc/62/70/12/451627012.db2.gz ATECFDXTLIWYOY-XJKSGUPXSA-N 2 2 326.448 1.897 20 0 EDADLP Cc1nc(N)nc(NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000631177858 451627018 /nfs/dbraw/zinc/62/70/18/451627018.db2.gz ATECFDXTLIWYOY-XJKSGUPXSA-N 2 2 326.448 1.897 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635010555 451648134 /nfs/dbraw/zinc/64/81/34/451648134.db2.gz AJWRJHVQXBHEHO-IIAWOOMASA-N 2 2 340.489 1.550 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000638683748 451652263 /nfs/dbraw/zinc/65/22/63/451652263.db2.gz LFRDDVPJPDAWBK-AWEZNQCLSA-N 2 2 329.366 1.869 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(CCF)CC2)CC1 ZINC000636986091 451662896 /nfs/dbraw/zinc/66/28/96/451662896.db2.gz FTGSAKJNUDLCHA-UHFFFAOYSA-N 2 2 328.476 1.794 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C(F)F)c1 ZINC000631277519 451677904 /nfs/dbraw/zinc/67/79/04/451677904.db2.gz ZCXGPFVPSLHHGT-UHFFFAOYSA-N 2 2 329.395 1.376 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C(F)F)c1 ZINC000631277519 451677906 /nfs/dbraw/zinc/67/79/06/451677906.db2.gz ZCXGPFVPSLHHGT-UHFFFAOYSA-N 2 2 329.395 1.376 20 0 EDADLP Cc1cc(C(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c(C)[nH]1 ZINC000640901448 451681822 /nfs/dbraw/zinc/68/18/22/451681822.db2.gz MYKFILXOGFBSKY-UHFFFAOYSA-N 2 2 330.436 1.072 20 0 EDADLP COCC[C@H]([NH3+])Cc1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000640943303 451699624 /nfs/dbraw/zinc/69/96/24/451699624.db2.gz WYUQCAQIMUNECH-INIZCTEOSA-N 2 2 340.431 1.478 20 0 EDADLP C[C@@H]1CCn2cc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2C1 ZINC000631258086 451666835 /nfs/dbraw/zinc/66/68/35/451666835.db2.gz MCPUTIGDPVRKNM-CABCVRRESA-N 2 2 345.491 1.364 20 0 EDADLP C[C@@H]1CCn2cc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2C1 ZINC000631258086 451666837 /nfs/dbraw/zinc/66/68/37/451666837.db2.gz MCPUTIGDPVRKNM-CABCVRRESA-N 2 2 345.491 1.364 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc2c(s1)CCOC2 ZINC000638986670 451747259 /nfs/dbraw/zinc/74/72/59/451747259.db2.gz XENMYIOYDAPWNG-UHFFFAOYSA-N 2 2 344.440 1.878 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000638989409 451748479 /nfs/dbraw/zinc/74/84/79/451748479.db2.gz RCRPMFDIBOHJJZ-CRAIPNDOSA-N 2 2 346.500 1.641 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004358 451751324 /nfs/dbraw/zinc/75/13/24/451751324.db2.gz NWVMRGPXJYIXFY-SZMVWBNQSA-N 2 2 343.475 1.084 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000639013188 451751904 /nfs/dbraw/zinc/75/19/04/451751904.db2.gz IGVYDBGRTJASSK-INIZCTEOSA-N 2 2 338.415 1.183 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639024260 451753824 /nfs/dbraw/zinc/75/38/24/451753824.db2.gz NMDFQKJRNXXMGH-OALUTQOASA-N 2 2 343.471 1.733 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641164931 451766931 /nfs/dbraw/zinc/76/69/31/451766931.db2.gz VFVVYORUKWWOTC-UHFFFAOYSA-N 2 2 337.431 1.226 20 0 EDADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)C1CC1 ZINC000639175194 451785964 /nfs/dbraw/zinc/78/59/64/451785964.db2.gz INTIWRYATWNADX-LJQANCHMSA-N 2 2 334.460 1.600 20 0 EDADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H](O)C1CC1 ZINC000639175194 451785965 /nfs/dbraw/zinc/78/59/65/451785965.db2.gz INTIWRYATWNADX-LJQANCHMSA-N 2 2 334.460 1.600 20 0 EDADLP CN(CC[N@H+](C)C1CC1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639178070 451786853 /nfs/dbraw/zinc/78/68/53/451786853.db2.gz YNQVGGASHLKGBB-UHFFFAOYSA-N 2 2 347.503 1.924 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639178070 451786854 /nfs/dbraw/zinc/78/68/54/451786854.db2.gz YNQVGGASHLKGBB-UHFFFAOYSA-N 2 2 347.503 1.924 20 0 EDADLP C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639177991 451786955 /nfs/dbraw/zinc/78/69/55/451786955.db2.gz DWNCRYKVIGXPBJ-MRXNPFEDSA-N 2 2 347.459 1.108 20 0 EDADLP C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639177991 451786957 /nfs/dbraw/zinc/78/69/57/451786957.db2.gz DWNCRYKVIGXPBJ-MRXNPFEDSA-N 2 2 347.459 1.108 20 0 EDADLP Cc1[nH+]c2ccccc2n1Cc1cn(C[C@@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000641223900 451788616 /nfs/dbraw/zinc/78/86/16/451788616.db2.gz JVWUZARKEDIMAB-INIZCTEOSA-N 2 2 340.431 1.440 20 0 EDADLP Cc1[nH+]c2ccccc2n1Cc1cn(C[C@@H](O)C[N@H+](C)C2CC2)nn1 ZINC000641223900 451788619 /nfs/dbraw/zinc/78/86/19/451788619.db2.gz JVWUZARKEDIMAB-INIZCTEOSA-N 2 2 340.431 1.440 20 0 EDADLP CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639224245 451794955 /nfs/dbraw/zinc/79/49/55/451794955.db2.gz XTVMAXWEJIAYIN-ICSRJNTNSA-N 2 2 348.487 1.990 20 0 EDADLP CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639224245 451794958 /nfs/dbraw/zinc/79/49/58/451794958.db2.gz XTVMAXWEJIAYIN-ICSRJNTNSA-N 2 2 348.487 1.990 20 0 EDADLP CC(C)C[C@H](CNC(=O)N1CCn2c[nH+]cc2C1)[NH+]1CCOCC1 ZINC000641997487 451803567 /nfs/dbraw/zinc/80/35/67/451803567.db2.gz HPRDOOYWZOVSAU-OAHLLOKOSA-N 2 2 335.452 1.155 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc(=O)n3ccccc3n2)CC1 ZINC000639295478 451812713 /nfs/dbraw/zinc/81/27/13/451812713.db2.gz LQKMXMNTOLPFBS-UHFFFAOYSA-N 2 2 330.432 1.019 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000639318947 451824528 /nfs/dbraw/zinc/82/45/28/451824528.db2.gz VXORCFWZMVOJGA-OAHLLOKOSA-N 2 2 345.553 1.947 20 0 EDADLP CCN(CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1C ZINC000644522048 451838328 /nfs/dbraw/zinc/83/83/28/451838328.db2.gz ZSFBOIAFJZTQCO-CEXWTWQISA-N 2 2 349.519 1.881 20 0 EDADLP CCN(CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1C ZINC000644522048 451838333 /nfs/dbraw/zinc/83/83/33/451838333.db2.gz ZSFBOIAFJZTQCO-CEXWTWQISA-N 2 2 349.519 1.881 20 0 EDADLP C[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644530273 451844448 /nfs/dbraw/zinc/84/44/48/451844448.db2.gz DGZNHVJKOYZPIE-NDBYEHHHSA-N 2 2 328.375 1.014 20 0 EDADLP C[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000644530273 451844451 /nfs/dbraw/zinc/84/44/51/451844451.db2.gz DGZNHVJKOYZPIE-NDBYEHHHSA-N 2 2 328.375 1.014 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000641323799 451847170 /nfs/dbraw/zinc/84/71/70/451847170.db2.gz PBIHSXGRWXTMJS-CQSZACIVSA-N 2 2 337.489 1.295 20 0 EDADLP C[NH+]1CCC[C@H](CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000641323799 451847172 /nfs/dbraw/zinc/84/71/72/451847172.db2.gz PBIHSXGRWXTMJS-CQSZACIVSA-N 2 2 337.489 1.295 20 0 EDADLP C[NH+]1CCC[C@H](CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000641323799 451847174 /nfs/dbraw/zinc/84/71/74/451847174.db2.gz PBIHSXGRWXTMJS-CQSZACIVSA-N 2 2 337.489 1.295 20 0 EDADLP C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641353500 451882025 /nfs/dbraw/zinc/88/20/25/451882025.db2.gz IRHGWHUNKRITQJ-ZDUSSCGKSA-N 2 2 325.478 1.293 20 0 EDADLP C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641353500 451882028 /nfs/dbraw/zinc/88/20/28/451882028.db2.gz IRHGWHUNKRITQJ-ZDUSSCGKSA-N 2 2 325.478 1.293 20 0 EDADLP Cc1cc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000653377502 451889629 /nfs/dbraw/zinc/88/96/29/451889629.db2.gz DERRBPXYTQQIJP-UHFFFAOYSA-N 2 2 344.463 1.790 20 0 EDADLP Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)cn2cc[nH+]c12 ZINC000653377502 451889632 /nfs/dbraw/zinc/88/96/32/451889632.db2.gz DERRBPXYTQQIJP-UHFFFAOYSA-N 2 2 344.463 1.790 20 0 EDADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641375183 451909497 /nfs/dbraw/zinc/90/94/97/451909497.db2.gz SQQLLFNJKRHSJI-ZNMIVQPWSA-N 2 2 328.482 1.169 20 0 EDADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641375183 451909502 /nfs/dbraw/zinc/90/95/02/451909502.db2.gz SQQLLFNJKRHSJI-ZNMIVQPWSA-N 2 2 328.482 1.169 20 0 EDADLP COc1ncc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000644658008 451922269 /nfs/dbraw/zinc/92/22/69/451922269.db2.gz KVOMGJHGWPMVJK-MBNYWOFBSA-N 2 2 343.855 1.303 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C1CC1 ZINC000649275187 451946079 /nfs/dbraw/zinc/94/60/79/451946079.db2.gz SUGTXGRDIIRINN-KSSFIOAISA-N 2 2 326.444 1.964 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000649281418 451954577 /nfs/dbraw/zinc/95/45/77/451954577.db2.gz GTLWAVWEMFAEDN-OTWHNJEPSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000649289191 451965395 /nfs/dbraw/zinc/96/53/95/451965395.db2.gz AKWHIHIPSUCDKB-JLHFOLKXSA-N 2 2 330.432 1.062 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000641477965 452011140 /nfs/dbraw/zinc/01/11/40/452011140.db2.gz UMSRGQFAJBPWEI-ZDUSSCGKSA-N 2 2 340.855 1.393 20 0 EDADLP CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)c1ccco1 ZINC000641487957 452020117 /nfs/dbraw/zinc/02/01/17/452020117.db2.gz BKGJDEYOYJGGML-KBPBESRZSA-N 2 2 340.449 1.525 20 0 EDADLP c1cc2c(c(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)c1)CCC2 ZINC000651710644 452028234 /nfs/dbraw/zinc/02/82/34/452028234.db2.gz JFHVGKGQNZFBIS-IBGZPJMESA-N 2 2 329.488 1.671 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000649414943 452078656 /nfs/dbraw/zinc/07/86/56/452078656.db2.gz AQVIMBNFMXVFIF-FUHWJXTLSA-N 3 2 336.524 1.439 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000649414943 452078660 /nfs/dbraw/zinc/07/86/60/452078660.db2.gz AQVIMBNFMXVFIF-FUHWJXTLSA-N 3 2 336.524 1.439 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000649416826 452079153 /nfs/dbraw/zinc/07/91/53/452079153.db2.gz NACTXFMTKPIXPS-MOPGFXCFSA-N 3 2 344.503 1.390 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000649416826 452079156 /nfs/dbraw/zinc/07/91/56/452079156.db2.gz NACTXFMTKPIXPS-MOPGFXCFSA-N 3 2 344.503 1.390 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000637808746 452093501 /nfs/dbraw/zinc/09/35/01/452093501.db2.gz UXDDYDRNUCZFJW-WBVHZDCISA-N 2 2 346.475 1.663 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000637808746 452093503 /nfs/dbraw/zinc/09/35/03/452093503.db2.gz UXDDYDRNUCZFJW-WBVHZDCISA-N 2 2 346.475 1.663 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000639760761 452099067 /nfs/dbraw/zinc/09/90/67/452099067.db2.gz CRSLFSGCASYNQT-IEBWSBKVSA-N 2 2 331.460 1.571 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000639760761 452099075 /nfs/dbraw/zinc/09/90/75/452099075.db2.gz CRSLFSGCASYNQT-IEBWSBKVSA-N 2 2 331.460 1.571 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)Cn1cc[nH+]c1 ZINC000647176527 452107562 /nfs/dbraw/zinc/10/75/62/452107562.db2.gz MWSDSLNXKWKSSU-NSHDSACASA-N 2 2 326.397 1.096 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647179952 452108520 /nfs/dbraw/zinc/10/85/20/452108520.db2.gz XHMMKRGKBFFFQU-CYBMUJFWSA-N 2 2 343.468 1.683 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647179952 452108527 /nfs/dbraw/zinc/10/85/27/452108527.db2.gz XHMMKRGKBFFFQU-CYBMUJFWSA-N 2 2 343.468 1.683 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766488 452109177 /nfs/dbraw/zinc/10/91/77/452109177.db2.gz PVZVZIPFZGIQBV-YFHUEUNASA-N 2 2 325.497 1.553 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766488 452109182 /nfs/dbraw/zinc/10/91/82/452109182.db2.gz PVZVZIPFZGIQBV-YFHUEUNASA-N 2 2 325.497 1.553 20 0 EDADLP Cc1csc(CC2(O)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000639809478 452144927 /nfs/dbraw/zinc/14/49/27/452144927.db2.gz ITBIOJOZRMBNIW-OAHLLOKOSA-N 2 2 341.521 1.522 20 0 EDADLP Cc1csc(CC2(O)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000639809478 452144931 /nfs/dbraw/zinc/14/49/31/452144931.db2.gz ITBIOJOZRMBNIW-OAHLLOKOSA-N 2 2 341.521 1.522 20 0 EDADLP COCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000645100520 452151646 /nfs/dbraw/zinc/15/16/46/452151646.db2.gz RFGMDCTYBUMGCJ-GOSISDBHSA-N 2 2 331.460 1.747 20 0 EDADLP COCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000645100520 452151650 /nfs/dbraw/zinc/15/16/50/452151650.db2.gz RFGMDCTYBUMGCJ-GOSISDBHSA-N 2 2 331.460 1.747 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000645100558 452152123 /nfs/dbraw/zinc/15/21/23/452152123.db2.gz UJMBDALCLBTFMX-ZWKOTPCHSA-N 2 2 349.450 1.143 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000645100558 452152129 /nfs/dbraw/zinc/15/21/29/452152129.db2.gz UJMBDALCLBTFMX-ZWKOTPCHSA-N 2 2 349.450 1.143 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645113064 452157775 /nfs/dbraw/zinc/15/77/75/452157775.db2.gz XBLDAWYRHRWDRB-NXHRZFHOSA-N 2 2 335.492 1.620 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645113064 452157783 /nfs/dbraw/zinc/15/77/83/452157783.db2.gz XBLDAWYRHRWDRB-NXHRZFHOSA-N 2 2 335.492 1.620 20 0 EDADLP COCC[C@@H]1COCC[NH+]1C/C=C\C[N@H+]1CCOC[C@H]1CCOC ZINC000643406035 452190760 /nfs/dbraw/zinc/19/07/60/452190760.db2.gz XLNFNHLAMZKRFR-GRFNRIFCSA-N 2 2 342.480 1.017 20 0 EDADLP COCC[C@@H]1COCC[NH+]1C/C=C\C[N@@H+]1CCOC[C@H]1CCOC ZINC000643406035 452190765 /nfs/dbraw/zinc/19/07/65/452190765.db2.gz XLNFNHLAMZKRFR-GRFNRIFCSA-N 2 2 342.480 1.017 20 0 EDADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000643455411 452232504 /nfs/dbraw/zinc/23/25/04/452232504.db2.gz DPWSGXWUBGRIHK-IPELMVKDSA-N 3 2 330.476 1.127 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000649759729 452234965 /nfs/dbraw/zinc/23/49/65/452234965.db2.gz TZFRDVQFNRVPBR-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000649759729 452234971 /nfs/dbraw/zinc/23/49/71/452234971.db2.gz TZFRDVQFNRVPBR-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469093 452262600 /nfs/dbraw/zinc/26/26/00/452262600.db2.gz GRSVJVZALSHHDO-KBXCAEBGSA-N 2 2 330.432 1.555 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1O ZINC000641789552 452265783 /nfs/dbraw/zinc/26/57/83/452265783.db2.gz JVJFFTRDQOPOOO-QGZVFWFLSA-N 2 2 349.475 1.287 20 0 EDADLP COC[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000641788636 452265857 /nfs/dbraw/zinc/26/58/57/452265857.db2.gz ZMCOGKNWAVDHHE-RBUKOAKNSA-N 2 2 339.524 1.578 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000659429526 452275246 /nfs/dbraw/zinc/27/52/46/452275246.db2.gz RUJJITOYUVPXIA-INIZCTEOSA-N 2 2 334.464 1.439 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000641803833 452280949 /nfs/dbraw/zinc/28/09/49/452280949.db2.gz VDPUCMXKEKBMHE-IAGOWNOFSA-N 3 2 346.475 1.173 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000641803833 452280960 /nfs/dbraw/zinc/28/09/60/452280960.db2.gz VDPUCMXKEKBMHE-IAGOWNOFSA-N 2 2 346.475 1.173 20 0 EDADLP CCn1c2nnc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)n2c2ccccc2c1=O ZINC000641804187 452281104 /nfs/dbraw/zinc/28/11/04/452281104.db2.gz JFVLZFINYNLJTP-ZIAGYGMSSA-N 2 2 340.431 1.280 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1c(F)cccc1F ZINC000659456917 452308755 /nfs/dbraw/zinc/30/87/55/452308755.db2.gz TXPVQHSRWMRBFU-WKXXDYOBSA-N 2 2 338.402 1.619 20 0 EDADLP [NH3+]CC1(CCNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000652121537 452317177 /nfs/dbraw/zinc/31/71/77/452317177.db2.gz MJPFWMXZPMPIPE-QGZVFWFLSA-N 2 2 346.475 1.488 20 0 EDADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000638049906 452319956 /nfs/dbraw/zinc/31/99/56/452319956.db2.gz IHYAMRWHHZLJNP-CQSZACIVSA-N 2 2 333.432 1.100 20 0 EDADLP C[C@@H]1C[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)C1=O ZINC000661550722 452366636 /nfs/dbraw/zinc/36/66/36/452366636.db2.gz HXPBKJPMOMEFAG-HZPDHXFCSA-N 2 2 344.459 1.277 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000638065853 452367451 /nfs/dbraw/zinc/36/74/51/452367451.db2.gz BWNPXLAGILRDEU-HOTGVXAUSA-N 2 2 346.475 1.140 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)ccn12 ZINC000654392308 452444854 /nfs/dbraw/zinc/44/48/54/452444854.db2.gz SSIQCPRBURONCN-INIZCTEOSA-N 2 2 328.416 1.580 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659591212 452448128 /nfs/dbraw/zinc/44/81/28/452448128.db2.gz XMUQUEZKAHTLAE-HZPDHXFCSA-N 2 2 345.422 1.846 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)ccc2[nH+]1 ZINC000665951466 452482418 /nfs/dbraw/zinc/48/24/18/452482418.db2.gz LPFVDKBINLNXRT-HNNXBMFYSA-N 2 2 329.404 1.581 20 0 EDADLP C[C@H](NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1[nH+]ccn1C ZINC000659628373 452484515 /nfs/dbraw/zinc/48/45/15/452484515.db2.gz PCOLALKGPSBQCS-CFVMTHIKSA-N 2 2 335.452 1.409 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000659627218 452484572 /nfs/dbraw/zinc/48/45/72/452484572.db2.gz SRLOOHMDNMERFA-KRWDZBQOSA-N 2 2 347.507 1.229 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000659627218 452484574 /nfs/dbraw/zinc/48/45/74/452484574.db2.gz SRLOOHMDNMERFA-KRWDZBQOSA-N 2 2 347.507 1.229 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c2[nH+]ccn21 ZINC000645529852 452499134 /nfs/dbraw/zinc/49/91/34/452499134.db2.gz KSAWGXYPDWGTDL-ZIAGYGMSSA-N 2 2 333.436 1.395 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH+]2CCC([NH3+])CC2)n[nH]1 ZINC000652335444 452503882 /nfs/dbraw/zinc/50/38/82/452503882.db2.gz IIKGNCKZQYEJCG-UHFFFAOYSA-N 2 2 328.420 1.450 20 0 EDADLP c1ccc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)[nH+]c1 ZINC000655690075 452513816 /nfs/dbraw/zinc/51/38/16/452513816.db2.gz ULXYWGCKIZKCPB-SFHVURJKSA-N 3 2 330.476 1.893 20 0 EDADLP c1ccc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)nc1 ZINC000655690075 452513822 /nfs/dbraw/zinc/51/38/22/452513822.db2.gz ULXYWGCKIZKCPB-SFHVURJKSA-N 2 2 330.476 1.893 20 0 EDADLP C[NH+](C)CCOc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655695478 452516820 /nfs/dbraw/zinc/51/68/20/452516820.db2.gz YYQXYLNDRNKWOG-LJQANCHMSA-N 3 2 347.503 1.970 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3cccc(OC)c3C2)CC1 ZINC000650106592 452525059 /nfs/dbraw/zinc/52/50/59/452525059.db2.gz LUIJWKQTHSIZBF-OAHLLOKOSA-N 2 2 331.460 1.606 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3cccc(OC)c3C2)CC1 ZINC000650106592 452525066 /nfs/dbraw/zinc/52/50/66/452525066.db2.gz LUIJWKQTHSIZBF-OAHLLOKOSA-N 2 2 331.460 1.606 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4CCOC[C@@H]4C3)c2cc1OC ZINC000663797206 452526999 /nfs/dbraw/zinc/52/69/99/452526999.db2.gz MTCKAQCEIOWQCW-AWEZNQCLSA-N 2 2 329.400 1.773 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@H+]4CCOC[C@@H]4C3)c2cc1OC ZINC000663797206 452527004 /nfs/dbraw/zinc/52/70/04/452527004.db2.gz MTCKAQCEIOWQCW-AWEZNQCLSA-N 2 2 329.400 1.773 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C[C@H]1C[NH3+] ZINC000652356368 452534158 /nfs/dbraw/zinc/53/41/58/452534158.db2.gz FEWXOHRLZAFTRY-UKRRQHHQSA-N 2 2 334.395 1.980 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C[C@H]1C[NH3+] ZINC000652356368 452534164 /nfs/dbraw/zinc/53/41/64/452534164.db2.gz FEWXOHRLZAFTRY-UKRRQHHQSA-N 2 2 334.395 1.980 20 0 EDADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000655720329 452534161 /nfs/dbraw/zinc/53/41/61/452534161.db2.gz UBVNJJHWOSAALV-INIZCTEOSA-N 2 2 332.423 1.866 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000652357313 452538168 /nfs/dbraw/zinc/53/81/68/452538168.db2.gz JGNXWTHBRALSPV-AHEZYBDSSA-N 2 2 347.459 1.311 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000652357313 452538176 /nfs/dbraw/zinc/53/81/76/452538176.db2.gz JGNXWTHBRALSPV-AHEZYBDSSA-N 2 2 347.459 1.311 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)NCCc1ccccc1 ZINC000655743124 452555116 /nfs/dbraw/zinc/55/51/16/452555116.db2.gz FNVHCOYTDUDQRZ-IBGZPJMESA-N 2 2 345.487 1.578 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000647823575 452556475 /nfs/dbraw/zinc/55/64/75/452556475.db2.gz KSHIXSJJNQFQMX-MSOLQXFVSA-N 2 2 342.443 1.666 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000647823575 452556486 /nfs/dbraw/zinc/55/64/86/452556486.db2.gz KSHIXSJJNQFQMX-MSOLQXFVSA-N 2 2 342.443 1.666 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCO1 ZINC000655759973 452561712 /nfs/dbraw/zinc/56/17/12/452561712.db2.gz UVNSJPUZLKTFTE-HKUYNNGSSA-N 3 2 339.524 1.720 20 0 EDADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655774694 452571334 /nfs/dbraw/zinc/57/13/34/452571334.db2.gz DXEAWEMPFBKPGC-DOTOQJQBSA-N 2 2 346.475 1.950 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C3CC3)cc2[nH+]1 ZINC000657866002 452578961 /nfs/dbraw/zinc/57/89/61/452578961.db2.gz DESGENKPWLWSNU-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)cc2[nH+]1 ZINC000657866002 452578968 /nfs/dbraw/zinc/57/89/68/452578968.db2.gz DESGENKPWLWSNU-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647886695 452625394 /nfs/dbraw/zinc/62/53/94/452625394.db2.gz LTFHQLNDQUVSBZ-IRXDYDNUSA-N 2 2 331.460 1.516 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732787 452629336 /nfs/dbraw/zinc/62/93/36/452629336.db2.gz SXOWUKUSJNETFL-AWEZNQCLSA-N 2 2 347.463 1.344 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCOc1cccc(F)c1 ZINC000647901651 452643216 /nfs/dbraw/zinc/64/32/16/452643216.db2.gz SHJKOWCRDYXDLA-CRAIPNDOSA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCOc1cccc(F)c1 ZINC000647901651 452643221 /nfs/dbraw/zinc/64/32/21/452643221.db2.gz SHJKOWCRDYXDLA-CRAIPNDOSA-N 2 2 349.450 1.785 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2[nH+]1 ZINC000657992919 452667317 /nfs/dbraw/zinc/66/73/17/452667317.db2.gz RRLNRSCVRJNYFS-GOOCMWNKSA-N 2 2 341.415 1.323 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2[nH+]1 ZINC000657992919 452667325 /nfs/dbraw/zinc/66/73/25/452667325.db2.gz RRLNRSCVRJNYFS-GOOCMWNKSA-N 2 2 341.415 1.323 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000655912309 452670806 /nfs/dbraw/zinc/67/08/06/452670806.db2.gz NBHLZBCEXRYVLX-CYBMUJFWSA-N 2 2 341.337 1.620 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCCOc2cccc(C)c2)CC[C@H]1[NH3+] ZINC000647936369 452675712 /nfs/dbraw/zinc/67/57/12/452675712.db2.gz CDNFRMMLIGBOQM-FUHWJXTLSA-N 2 2 333.476 1.939 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCCOc2cccc(C)c2)CC[C@H]1[NH3+] ZINC000647936369 452675715 /nfs/dbraw/zinc/67/57/15/452675715.db2.gz CDNFRMMLIGBOQM-FUHWJXTLSA-N 2 2 333.476 1.939 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CCCC2)[C@@H](C)CO1 ZINC000664006590 452707643 /nfs/dbraw/zinc/70/76/43/452707643.db2.gz JBDCCPOLMJTSIW-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CCCC2)[C@@H](C)CO1 ZINC000664006590 452707649 /nfs/dbraw/zinc/70/76/49/452707649.db2.gz JBDCCPOLMJTSIW-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CCCC2)[C@@H](C)CO1 ZINC000664006590 452707654 /nfs/dbraw/zinc/70/76/54/452707654.db2.gz JBDCCPOLMJTSIW-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CCCC2)[C@@H](C)CO1 ZINC000664006590 452707658 /nfs/dbraw/zinc/70/76/58/452707658.db2.gz JBDCCPOLMJTSIW-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000664006589 452707979 /nfs/dbraw/zinc/70/79/79/452707979.db2.gz JBDCCPOLMJTSIW-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000664006589 452707987 /nfs/dbraw/zinc/70/79/87/452707987.db2.gz JBDCCPOLMJTSIW-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000664006589 452707992 /nfs/dbraw/zinc/70/79/92/452707992.db2.gz JBDCCPOLMJTSIW-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000648018383 452756538 /nfs/dbraw/zinc/75/65/38/452756538.db2.gz KMCICEXHSUZLPL-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000648018383 452756546 /nfs/dbraw/zinc/75/65/46/452756546.db2.gz KMCICEXHSUZLPL-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1 ZINC000648018383 452756553 /nfs/dbraw/zinc/75/65/53/452756553.db2.gz KMCICEXHSUZLPL-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1 ZINC000648018383 452756564 /nfs/dbraw/zinc/75/65/64/452756564.db2.gz KMCICEXHSUZLPL-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000648018383 452756570 /nfs/dbraw/zinc/75/65/70/452756570.db2.gz KMCICEXHSUZLPL-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000648018383 452756574 /nfs/dbraw/zinc/75/65/74/452756574.db2.gz KMCICEXHSUZLPL-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)c2cc1C ZINC000662037320 452790008 /nfs/dbraw/zinc/79/00/08/452790008.db2.gz JZSKQATUMAQAJU-IXDOHACOSA-N 2 2 329.444 1.982 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H]4COC[C@@H]4C3)c2cc1C ZINC000662037320 452790015 /nfs/dbraw/zinc/79/00/15/452790015.db2.gz JZSKQATUMAQAJU-IXDOHACOSA-N 2 2 329.444 1.982 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662041640 452792605 /nfs/dbraw/zinc/79/26/05/452792605.db2.gz VXBXVPVAKGHAJT-CVEARBPZSA-N 2 2 349.500 1.361 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662041640 452792613 /nfs/dbraw/zinc/79/26/13/452792613.db2.gz VXBXVPVAKGHAJT-CVEARBPZSA-N 2 2 349.500 1.361 20 0 EDADLP COCC1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000664130610 452812547 /nfs/dbraw/zinc/81/25/47/452812547.db2.gz PMHRTWQHVUTLAS-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP COCC1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000664130610 452812555 /nfs/dbraw/zinc/81/25/55/452812555.db2.gz PMHRTWQHVUTLAS-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000645817345 452814907 /nfs/dbraw/zinc/81/49/07/452814907.db2.gz JTWSLZRCCDCUMY-UHFFFAOYSA-N 3 2 343.431 1.075 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658345037 452857015 /nfs/dbraw/zinc/85/70/15/452857015.db2.gz YBDMRVYJFHVRNY-APWZRJJASA-N 2 2 327.476 1.887 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658345037 452857022 /nfs/dbraw/zinc/85/70/22/452857022.db2.gz YBDMRVYJFHVRNY-APWZRJJASA-N 2 2 327.476 1.887 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)oc1C ZINC000654739462 452871353 /nfs/dbraw/zinc/87/13/53/452871353.db2.gz JFXCANJPZVASOJ-AWEZNQCLSA-N 2 2 334.464 1.668 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)oc1C ZINC000654739462 452871364 /nfs/dbraw/zinc/87/13/64/452871364.db2.gz JFXCANJPZVASOJ-AWEZNQCLSA-N 2 2 334.464 1.668 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)oc1C ZINC000654739462 452871376 /nfs/dbraw/zinc/87/13/76/452871376.db2.gz JFXCANJPZVASOJ-AWEZNQCLSA-N 2 2 334.464 1.668 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)oc1C ZINC000654739462 452871386 /nfs/dbraw/zinc/87/13/86/452871386.db2.gz JFXCANJPZVASOJ-AWEZNQCLSA-N 2 2 334.464 1.668 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](C[C@H]3CN(c4ccccc4)CCO3)CC2)C1 ZINC000662150278 452883742 /nfs/dbraw/zinc/88/37/42/452883742.db2.gz UFRLCYJRFUGQHQ-UXHICEINSA-N 2 2 345.487 1.423 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](C[C@H]3CN(c4ccccc4)CCO3)CC2)C1 ZINC000662150278 452883746 /nfs/dbraw/zinc/88/37/46/452883746.db2.gz UFRLCYJRFUGQHQ-UXHICEINSA-N 2 2 345.487 1.423 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154312 452891730 /nfs/dbraw/zinc/89/17/30/452891730.db2.gz ANUQPRVBRAQGMD-QAPCUYQASA-N 2 2 337.508 1.697 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154312 452891736 /nfs/dbraw/zinc/89/17/36/452891736.db2.gz ANUQPRVBRAQGMD-QAPCUYQASA-N 2 2 337.508 1.697 20 0 EDADLP C[C@H]1SCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000645913447 452893510 /nfs/dbraw/zinc/89/35/10/452893510.db2.gz QEPYSMIEGJVXPJ-HIFRSBDPSA-N 2 2 328.526 1.548 20 0 EDADLP C[C@H]1SCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000645913447 452893519 /nfs/dbraw/zinc/89/35/19/452893519.db2.gz QEPYSMIEGJVXPJ-HIFRSBDPSA-N 2 2 328.526 1.548 20 0 EDADLP O[C@H]1CC[N@@H+](C2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)C1 ZINC000662156101 452893989 /nfs/dbraw/zinc/89/39/89/452893989.db2.gz KHBXPCAFKOQNJT-ZDUSSCGKSA-N 2 2 332.370 1.476 20 0 EDADLP O[C@H]1CC[N@H+](C2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)C1 ZINC000662156101 452893999 /nfs/dbraw/zinc/89/39/99/452893999.db2.gz KHBXPCAFKOQNJT-ZDUSSCGKSA-N 2 2 332.370 1.476 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(C)C ZINC000662160742 452899903 /nfs/dbraw/zinc/89/99/03/452899903.db2.gz QMRGPLJADMVARI-RDJZCZTQSA-N 2 2 325.497 1.551 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C(C)C ZINC000662160742 452899912 /nfs/dbraw/zinc/89/99/12/452899912.db2.gz QMRGPLJADMVARI-RDJZCZTQSA-N 2 2 325.497 1.551 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666492274 452911094 /nfs/dbraw/zinc/91/10/94/452911094.db2.gz BKKKXVVNYXFMKQ-HZPDHXFCSA-N 2 2 330.432 1.577 20 0 EDADLP C[C@@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211745 452963134 /nfs/dbraw/zinc/96/31/34/452963134.db2.gz YXPQBVZDSXGATL-RWMBFGLXSA-N 2 2 331.424 1.154 20 0 EDADLP C[C@@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211745 452963143 /nfs/dbraw/zinc/96/31/43/452963143.db2.gz YXPQBVZDSXGATL-RWMBFGLXSA-N 2 2 331.424 1.154 20 0 EDADLP O=C(CCC1CCCC1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250295 452974577 /nfs/dbraw/zinc/97/45/77/452974577.db2.gz DMGGVYAANXPVIW-KRWDZBQOSA-N 2 2 335.492 1.622 20 0 EDADLP FC(F)(F)c1cccc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000662259226 452987630 /nfs/dbraw/zinc/98/76/30/452987630.db2.gz SMDBSWRWCPOOIB-INIZCTEOSA-N 2 2 343.393 1.811 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000654878038 452998523 /nfs/dbraw/zinc/99/85/23/452998523.db2.gz JYQOGQQJURTFFN-IYBDPMFKSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000654878038 452998528 /nfs/dbraw/zinc/99/85/28/452998528.db2.gz JYQOGQQJURTFFN-IYBDPMFKSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc(C4CC4)nc3)C2)CC1 ZINC000648316294 452999825 /nfs/dbraw/zinc/99/98/25/452999825.db2.gz ZFSDDTHWPAYRCB-OAHLLOKOSA-N 2 2 329.448 1.252 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc(C4CC4)nc3)C2)CC1 ZINC000648316294 452999832 /nfs/dbraw/zinc/99/98/32/452999832.db2.gz ZFSDDTHWPAYRCB-OAHLLOKOSA-N 2 2 329.448 1.252 20 0 EDADLP O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000654890310 453010035 /nfs/dbraw/zinc/01/00/35/453010035.db2.gz REZPSSJMYXUJGK-OALUTQOASA-N 2 2 343.471 1.442 20 0 EDADLP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000654890310 453010041 /nfs/dbraw/zinc/01/00/41/453010041.db2.gz REZPSSJMYXUJGK-OALUTQOASA-N 2 2 343.471 1.442 20 0 EDADLP C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC(C)(C)[NH3+] ZINC000662296448 453018352 /nfs/dbraw/zinc/01/83/52/453018352.db2.gz QEWDYWPYDWLHFK-UHFFFAOYSA-N 2 2 339.237 1.626 20 0 EDADLP C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC(C)(C)[NH3+] ZINC000662296448 453018357 /nfs/dbraw/zinc/01/83/57/453018357.db2.gz QEWDYWPYDWLHFK-UHFFFAOYSA-N 2 2 339.237 1.626 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C(C)(C)C1 ZINC000650831692 453036983 /nfs/dbraw/zinc/03/69/83/453036983.db2.gz LQSMYXXNFLPPEX-UHFFFAOYSA-N 2 2 344.459 1.754 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C(C)(C)C1 ZINC000650831692 453036992 /nfs/dbraw/zinc/03/69/92/453036992.db2.gz LQSMYXXNFLPPEX-UHFFFAOYSA-N 2 2 344.459 1.754 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)on2)cn1 ZINC000662321292 453038403 /nfs/dbraw/zinc/03/84/03/453038403.db2.gz AYEQAMXWQYRZPZ-OAHLLOKOSA-N 2 2 333.436 1.618 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)on2)cn1 ZINC000662321292 453038409 /nfs/dbraw/zinc/03/84/09/453038409.db2.gz AYEQAMXWQYRZPZ-OAHLLOKOSA-N 2 2 333.436 1.618 20 0 EDADLP COc1cc(C)ccc1C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000648370374 453040449 /nfs/dbraw/zinc/04/04/49/453040449.db2.gz BSMRLYOYNWJGQY-GOSISDBHSA-N 2 2 333.476 1.452 20 0 EDADLP COc1cc(C)ccc1C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000648370374 453040455 /nfs/dbraw/zinc/04/04/55/453040455.db2.gz BSMRLYOYNWJGQY-GOSISDBHSA-N 2 2 333.476 1.452 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660119993 453045398 /nfs/dbraw/zinc/04/53/98/453045398.db2.gz AACRHXNXFDGBLV-KRWDZBQOSA-N 2 2 327.432 1.477 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660119993 453045408 /nfs/dbraw/zinc/04/54/08/453045408.db2.gz AACRHXNXFDGBLV-KRWDZBQOSA-N 2 2 327.432 1.477 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000646050510 453056726 /nfs/dbraw/zinc/05/67/26/453056726.db2.gz WTQUYSYTRRTRFE-QGZVFWFLSA-N 2 2 347.507 1.575 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000646050510 453056732 /nfs/dbraw/zinc/05/67/32/453056732.db2.gz WTQUYSYTRRTRFE-QGZVFWFLSA-N 2 2 347.507 1.575 20 0 EDADLP CC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000648416586 453071461 /nfs/dbraw/zinc/07/14/61/453071461.db2.gz FPMWRBOULYTOCO-DLBZAZTESA-N 2 2 333.480 1.536 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1[nH]cc[nH+]1 ZINC000660143034 453073545 /nfs/dbraw/zinc/07/35/45/453073545.db2.gz PXBDBJRASQTSDM-WBVHZDCISA-N 2 2 341.459 1.621 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1[nH]cc[nH+]1 ZINC000660143034 453073553 /nfs/dbraw/zinc/07/35/53/453073553.db2.gz PXBDBJRASQTSDM-WBVHZDCISA-N 2 2 341.459 1.621 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc4c(c3)NCC4)C2)CC1 ZINC000648446272 453091034 /nfs/dbraw/zinc/09/10/34/453091034.db2.gz VKDCYUGMHJXAAI-KRWDZBQOSA-N 2 2 342.487 1.482 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc4c(c3)NCC4)C2)CC1 ZINC000648446272 453091040 /nfs/dbraw/zinc/09/10/40/453091040.db2.gz VKDCYUGMHJXAAI-KRWDZBQOSA-N 2 2 342.487 1.482 20 0 EDADLP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103595 453106455 /nfs/dbraw/zinc/10/64/55/453106455.db2.gz YAISCAJTIFEDSV-UHFFFAOYSA-N 2 2 349.450 1.581 20 0 EDADLP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103595 453106467 /nfs/dbraw/zinc/10/64/67/453106467.db2.gz YAISCAJTIFEDSV-UHFFFAOYSA-N 2 2 349.450 1.581 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCc3ccccc3NC1=O)CCO2 ZINC000646106141 453109694 /nfs/dbraw/zinc/10/96/94/453109694.db2.gz PWKPLZKRLXTINO-KRWDZBQOSA-N 2 2 329.444 1.737 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCc3ccccc3NC1=O)CCO2 ZINC000646106141 453109701 /nfs/dbraw/zinc/10/97/01/453109701.db2.gz PWKPLZKRLXTINO-KRWDZBQOSA-N 2 2 329.444 1.737 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000664475581 453127184 /nfs/dbraw/zinc/12/71/84/453127184.db2.gz PVRWUKWHDCNKSZ-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000664475581 453127190 /nfs/dbraw/zinc/12/71/90/453127190.db2.gz PVRWUKWHDCNKSZ-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000664475502 453127681 /nfs/dbraw/zinc/12/76/81/453127681.db2.gz PHJHLXGFVSMQFV-HIFRSBDPSA-N 2 2 338.500 1.220 20 0 EDADLP Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000664475502 453127692 /nfs/dbraw/zinc/12/76/92/453127692.db2.gz PHJHLXGFVSMQFV-HIFRSBDPSA-N 2 2 338.500 1.220 20 0 EDADLP C[C@H](C1CC1)n1nccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666783679 453146316 /nfs/dbraw/zinc/14/63/16/453146316.db2.gz VJTBNFDJZSYDDA-CQSZACIVSA-N 2 2 336.484 1.859 20 0 EDADLP C[C@H](C1CC1)n1nccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666783679 453146323 /nfs/dbraw/zinc/14/63/23/453146323.db2.gz VJTBNFDJZSYDDA-CQSZACIVSA-N 2 2 336.484 1.859 20 0 EDADLP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000662441175 453147715 /nfs/dbraw/zinc/14/77/15/453147715.db2.gz BJIBRDWNBUZCKP-ZDUSSCGKSA-N 2 2 329.404 1.885 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC2)c1 ZINC000662445935 453154571 /nfs/dbraw/zinc/15/45/71/453154571.db2.gz URTPYUIEKAOIMW-YJBOKZPZSA-N 2 2 349.475 1.653 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000650994490 453170647 /nfs/dbraw/zinc/17/06/47/453170647.db2.gz NVTDBJIAVUYZSW-UHFFFAOYSA-N 3 2 341.544 1.290 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000650994490 453170672 /nfs/dbraw/zinc/17/06/72/453170672.db2.gz NVTDBJIAVUYZSW-UHFFFAOYSA-N 3 2 341.544 1.290 20 0 EDADLP COC[C@@H](CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)OC ZINC000656473191 453207100 /nfs/dbraw/zinc/20/71/00/453207100.db2.gz WSXXOBZZKBJOTK-CYBMUJFWSA-N 2 2 328.376 1.674 20 0 EDADLP C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653066929 453244235 /nfs/dbraw/zinc/24/42/35/453244235.db2.gz IGGOVCUTNXMCHN-YOEHRIQHSA-N 2 2 346.475 1.919 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000653066769 453245099 /nfs/dbraw/zinc/24/50/99/453245099.db2.gz BPKAPLGYMHQEOF-MRXNPFEDSA-N 2 2 332.448 1.577 20 0 EDADLP Cc1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1C(=O)N1CCCC1 ZINC000653068201 453245856 /nfs/dbraw/zinc/24/58/56/453245856.db2.gz ZUGZKGAUQLPONF-AWEZNQCLSA-N 2 2 332.448 1.449 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cn21 ZINC000646235029 453247162 /nfs/dbraw/zinc/24/71/62/453247162.db2.gz YWPPRRNZFYVYAB-ZFWWWQNUSA-N 2 2 329.448 1.812 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)no1 ZINC000662527618 453248901 /nfs/dbraw/zinc/24/89/01/453248901.db2.gz WZVXXKHNKRYXJE-AWEZNQCLSA-N 2 2 343.431 1.717 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000648782677 453264877 /nfs/dbraw/zinc/26/48/77/453264877.db2.gz XVJARAAUWSEQBH-IRXDYDNUSA-N 2 2 349.523 1.786 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000648782677 453264886 /nfs/dbraw/zinc/26/48/86/453264886.db2.gz XVJARAAUWSEQBH-IRXDYDNUSA-N 2 2 349.523 1.786 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000653084615 453266162 /nfs/dbraw/zinc/26/61/62/453266162.db2.gz MBNVPMTXVWLAGD-HUUCEWRRSA-N 2 2 343.830 1.658 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2c(Br)cccc2C1 ZINC000653084233 453266844 /nfs/dbraw/zinc/26/68/44/453266844.db2.gz ZECGIYIVIGMCBJ-AWEZNQCLSA-N 2 2 340.265 1.613 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000648783065 453266964 /nfs/dbraw/zinc/26/69/64/453266964.db2.gz OGPXUBSNCWHTIG-INIZCTEOSA-N 2 2 335.496 1.540 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000648783065 453266977 /nfs/dbraw/zinc/26/69/77/453266977.db2.gz OGPXUBSNCWHTIG-INIZCTEOSA-N 2 2 335.496 1.540 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000648783065 453266988 /nfs/dbraw/zinc/26/69/88/453266988.db2.gz OGPXUBSNCWHTIG-INIZCTEOSA-N 2 2 335.496 1.540 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000648783065 453266998 /nfs/dbraw/zinc/26/69/98/453266998.db2.gz OGPXUBSNCWHTIG-INIZCTEOSA-N 2 2 335.496 1.540 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000653092441 453274777 /nfs/dbraw/zinc/27/47/77/453274777.db2.gz AHJKCCDMEOBWMI-MRVPVSSYSA-N 2 2 335.292 1.609 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)COCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269716 453276202 /nfs/dbraw/zinc/27/62/02/453276202.db2.gz WTWBSWFZBIQRKK-ZFWWWQNUSA-N 2 2 329.803 1.316 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)COCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269716 453276211 /nfs/dbraw/zinc/27/62/11/453276211.db2.gz WTWBSWFZBIQRKK-ZFWWWQNUSA-N 2 2 329.803 1.316 20 0 EDADLP Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c(OC[C@H]2CCCO2)c1 ZINC000653099113 453282293 /nfs/dbraw/zinc/28/22/93/453282293.db2.gz FSSHYLWFMWXQOB-IAGOWNOFSA-N 2 2 349.475 1.448 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000655164934 453282320 /nfs/dbraw/zinc/28/23/20/453282320.db2.gz LNRRMTSUIVUYRX-CRAIPNDOSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000655164934 453282327 /nfs/dbraw/zinc/28/23/27/453282327.db2.gz LNRRMTSUIVUYRX-CRAIPNDOSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000655164934 453282331 /nfs/dbraw/zinc/28/23/31/453282331.db2.gz LNRRMTSUIVUYRX-CRAIPNDOSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000655164934 453282337 /nfs/dbraw/zinc/28/23/37/453282337.db2.gz LNRRMTSUIVUYRX-CRAIPNDOSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000648798264 453282673 /nfs/dbraw/zinc/28/26/73/453282673.db2.gz YPSQVUWDXLNJOR-IAGOWNOFSA-N 3 2 336.524 1.393 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC000648798264 453282678 /nfs/dbraw/zinc/28/26/78/453282678.db2.gz YPSQVUWDXLNJOR-IAGOWNOFSA-N 3 2 336.524 1.393 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]1CCCC1 ZINC000653105943 453287723 /nfs/dbraw/zinc/28/77/23/453287723.db2.gz NVERYNLGOZDJOL-IRXDYDNUSA-N 3 2 348.491 1.227 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653111283 453297474 /nfs/dbraw/zinc/29/74/74/453297474.db2.gz KNQNIVMDBPLCFT-IAGOWNOFSA-N 2 2 332.448 1.466 20 0 EDADLP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c2)CC1 ZINC000653113844 453300729 /nfs/dbraw/zinc/30/07/29/453300729.db2.gz PJKNZZMIRIOJTC-IBGZPJMESA-N 3 2 346.519 1.814 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000653115262 453302567 /nfs/dbraw/zinc/30/25/67/453302567.db2.gz IQHKOZCFGFZIDT-INIZCTEOSA-N 2 2 328.416 1.769 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CCC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000653124811 453318739 /nfs/dbraw/zinc/31/87/39/453318739.db2.gz HVZOSVZJNIQPHL-KRWDZBQOSA-N 3 2 336.524 1.443 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662624704 453341526 /nfs/dbraw/zinc/34/15/26/453341526.db2.gz WPRBYAHGNIXIHR-DLBZAZTESA-N 2 2 328.460 1.934 20 0 EDADLP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000653154746 453344633 /nfs/dbraw/zinc/34/46/33/453344633.db2.gz ZYPHPNGAAWMJAA-ARFHVFGLSA-N 2 2 340.418 1.105 20 0 EDADLP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000653154746 453344640 /nfs/dbraw/zinc/34/46/40/453344640.db2.gz ZYPHPNGAAWMJAA-ARFHVFGLSA-N 2 2 340.418 1.105 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000653154746 453344647 /nfs/dbraw/zinc/34/46/47/453344647.db2.gz ZYPHPNGAAWMJAA-ARFHVFGLSA-N 3 2 340.418 1.105 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000653154746 453344657 /nfs/dbraw/zinc/34/46/57/453344657.db2.gz ZYPHPNGAAWMJAA-ARFHVFGLSA-N 3 2 340.418 1.105 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000646366675 453350227 /nfs/dbraw/zinc/35/02/27/453350227.db2.gz TUBPBJOMLDCFSG-OAHLLOKOSA-N 2 2 329.435 1.812 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000653160404 453353043 /nfs/dbraw/zinc/35/30/43/453353043.db2.gz HSCQVNITCIGVAZ-QGZVFWFLSA-N 2 2 341.459 1.162 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000660512414 453361427 /nfs/dbraw/zinc/36/14/27/453361427.db2.gz OMURAPRTORAGNP-UHFFFAOYSA-N 2 2 331.420 1.692 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1N1CCOCC1 ZINC000656694836 453367859 /nfs/dbraw/zinc/36/78/59/453367859.db2.gz RTHJOXGNMDJEBY-GOSISDBHSA-N 2 2 335.492 1.656 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1N1CCOCC1 ZINC000656694836 453367866 /nfs/dbraw/zinc/36/78/66/453367866.db2.gz RTHJOXGNMDJEBY-GOSISDBHSA-N 2 2 335.492 1.656 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000656694836 453367880 /nfs/dbraw/zinc/36/78/80/453367880.db2.gz RTHJOXGNMDJEBY-GOSISDBHSA-N 2 2 335.492 1.656 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000656694836 453367889 /nfs/dbraw/zinc/36/78/89/453367889.db2.gz RTHJOXGNMDJEBY-GOSISDBHSA-N 2 2 335.492 1.656 20 0 EDADLP Cc1cc(C)c(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(C)[nH+]1 ZINC000646408329 453370795 /nfs/dbraw/zinc/37/07/95/453370795.db2.gz KGVVEZDCVOMRPW-AWEZNQCLSA-N 2 2 333.436 1.591 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000656701732 453378172 /nfs/dbraw/zinc/37/81/72/453378172.db2.gz BCJFGGMLODUJNP-UONOGXRCSA-N 2 2 345.443 1.106 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000656701732 453378177 /nfs/dbraw/zinc/37/81/77/453378177.db2.gz BCJFGGMLODUJNP-UONOGXRCSA-N 2 2 345.443 1.106 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000664759165 453383485 /nfs/dbraw/zinc/38/34/85/453383485.db2.gz NTFMNWYGAIOTDP-KRWDZBQOSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000664759165 453383491 /nfs/dbraw/zinc/38/34/91/453383491.db2.gz NTFMNWYGAIOTDP-KRWDZBQOSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000664759165 453383501 /nfs/dbraw/zinc/38/35/01/453383501.db2.gz NTFMNWYGAIOTDP-KRWDZBQOSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000664759165 453383508 /nfs/dbraw/zinc/38/35/08/453383508.db2.gz NTFMNWYGAIOTDP-KRWDZBQOSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCc2cc(O)ccc2C1 ZINC000664762572 453387991 /nfs/dbraw/zinc/38/79/91/453387991.db2.gz QBQVDFYVHOHQOU-KRWDZBQOSA-N 2 2 348.491 1.432 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCc2cc(O)ccc2C1 ZINC000664762572 453387995 /nfs/dbraw/zinc/38/79/95/453387995.db2.gz QBQVDFYVHOHQOU-KRWDZBQOSA-N 2 2 348.491 1.432 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(Oc2ccc(F)cc2)n1 ZINC000653200522 453394265 /nfs/dbraw/zinc/39/42/65/453394265.db2.gz HCWOWLNXGJRJRL-INIZCTEOSA-N 2 2 346.406 1.908 20 0 EDADLP [NH3+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000667118848 453416885 /nfs/dbraw/zinc/41/68/85/453416885.db2.gz MVSYKQSMGDTMJE-MRXNPFEDSA-N 2 2 340.383 1.159 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000664823762 453430557 /nfs/dbraw/zinc/43/05/57/453430557.db2.gz FXWWZQDIXNKNIH-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000664823762 453430567 /nfs/dbraw/zinc/43/05/67/453430567.db2.gz FXWWZQDIXNKNIH-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000662716580 453440250 /nfs/dbraw/zinc/44/02/50/453440250.db2.gz FCDJNDSNRGCPAB-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653258464 453441078 /nfs/dbraw/zinc/44/10/78/453441078.db2.gz JJYXEFCJHZSUSC-HYVNUMGLSA-N 2 2 346.475 1.649 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2c[nH+]c3n2CCCC3)[C@H](C)CO1 ZINC000664852749 453448615 /nfs/dbraw/zinc/44/86/15/453448615.db2.gz BGHWSYNWULVRDW-ZIAGYGMSSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2c[nH+]c3n2CCCC3)[C@H](C)CO1 ZINC000664852749 453448622 /nfs/dbraw/zinc/44/86/22/453448622.db2.gz BGHWSYNWULVRDW-ZIAGYGMSSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000664896925 453469685 /nfs/dbraw/zinc/46/96/85/453469685.db2.gz PKIFSWBKTHNGHB-WMZOPIPTSA-N 2 2 347.507 1.052 20 0 EDADLP CC(C)[NH2+]CCC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662744546 453472355 /nfs/dbraw/zinc/47/23/55/453472355.db2.gz PWLKVMSTUQPFMP-SFHVURJKSA-N 2 2 332.492 1.307 20 0 EDADLP CC(C)[NH2+]CCC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662744546 453472363 /nfs/dbraw/zinc/47/23/63/453472363.db2.gz PWLKVMSTUQPFMP-SFHVURJKSA-N 2 2 332.492 1.307 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000662744662 453473258 /nfs/dbraw/zinc/47/32/58/453473258.db2.gz CICHHRKIANUWLP-BLLLJJGKSA-N 2 2 339.386 1.145 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000660677023 453505969 /nfs/dbraw/zinc/50/59/69/453505969.db2.gz WOHFTLJGJMZKIB-GOEBONIOSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000660677023 453505980 /nfs/dbraw/zinc/50/59/80/453505980.db2.gz WOHFTLJGJMZKIB-GOEBONIOSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000660677023 453505992 /nfs/dbraw/zinc/50/59/92/453505992.db2.gz WOHFTLJGJMZKIB-GOEBONIOSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000660677023 453505997 /nfs/dbraw/zinc/50/59/97/453505997.db2.gz WOHFTLJGJMZKIB-GOEBONIOSA-N 2 2 337.468 1.688 20 0 EDADLP CC(C)N(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649065293 453513905 /nfs/dbraw/zinc/51/39/05/453513905.db2.gz UCZFGSXPBPGYKD-OALUTQOASA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)N(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649065293 453513909 /nfs/dbraw/zinc/51/39/09/453513909.db2.gz UCZFGSXPBPGYKD-OALUTQOASA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)N(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649065293 453513915 /nfs/dbraw/zinc/51/39/15/453513915.db2.gz UCZFGSXPBPGYKD-OALUTQOASA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)N(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649065293 453513918 /nfs/dbraw/zinc/51/39/18/453513918.db2.gz UCZFGSXPBPGYKD-OALUTQOASA-N 2 2 345.487 1.829 20 0 EDADLP C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1[nH+]ccn1C ZINC000660701541 453526305 /nfs/dbraw/zinc/52/63/05/453526305.db2.gz ACEBNFPODDLOBS-AWEZNQCLSA-N 2 2 335.452 1.425 20 0 EDADLP Cc1cccn2cc(CCNC(=O)c3conc3C(C)(C)[NH3+])[nH+]c12 ZINC000655448840 453536450 /nfs/dbraw/zinc/53/64/50/453536450.db2.gz ZGALSZVIFPGPJT-UHFFFAOYSA-N 2 2 327.388 1.797 20 0 EDADLP [NH3+]C1(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000658987013 453567477 /nfs/dbraw/zinc/56/74/77/453567477.db2.gz FPONVIKVTXQPGM-UHFFFAOYSA-N 2 2 332.448 1.912 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)[C@@H](C)CO1 ZINC000662860167 453574977 /nfs/dbraw/zinc/57/49/77/453574977.db2.gz QYLQWUHUIYYXDE-RWSFTLGLSA-N 2 2 327.375 1.190 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)[C@@H](C)CO1 ZINC000662860167 453574981 /nfs/dbraw/zinc/57/49/81/453574981.db2.gz QYLQWUHUIYYXDE-RWSFTLGLSA-N 2 2 327.375 1.190 20 0 EDADLP C[C@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000659042758 453596164 /nfs/dbraw/zinc/59/61/64/453596164.db2.gz WOKIYORKTZVIGC-JQFCIGGWSA-N 2 2 348.447 1.188 20 0 EDADLP C[C@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659042758 453596167 /nfs/dbraw/zinc/59/61/67/453596167.db2.gz WOKIYORKTZVIGC-JQFCIGGWSA-N 2 2 348.447 1.188 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000665172018 453600954 /nfs/dbraw/zinc/60/09/54/453600954.db2.gz BAPYOQSJMIMTSJ-QRNKSROTSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000665172018 453600958 /nfs/dbraw/zinc/60/09/58/453600958.db2.gz BAPYOQSJMIMTSJ-QRNKSROTSA-N 2 2 326.485 1.268 20 0 EDADLP COCCCNC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853027 453610412 /nfs/dbraw/zinc/61/04/12/453610412.db2.gz ODMAANQFJQLFQQ-UHFFFAOYSA-N 2 2 344.459 1.970 20 0 EDADLP CCN(C(=O)NCCc1cn2c(cccc2C)[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000665216431 453611122 /nfs/dbraw/zinc/61/11/22/453611122.db2.gz BOLDQSOTFHWEOZ-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP CCN(C(=O)NCCc1cn2c(cccc2C)[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000665216431 453611125 /nfs/dbraw/zinc/61/11/25/453611125.db2.gz BOLDQSOTFHWEOZ-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660855071 453611852 /nfs/dbraw/zinc/61/18/52/453611852.db2.gz JERBGRMGBFPVBW-OAHLLOKOSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660855071 453611855 /nfs/dbraw/zinc/61/18/55/453611855.db2.gz JERBGRMGBFPVBW-OAHLLOKOSA-N 2 2 338.496 1.128 20 0 EDADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000665255581 453626818 /nfs/dbraw/zinc/62/68/18/453626818.db2.gz XCEAWVOTRBLTFQ-ROUUACIJSA-N 2 2 346.475 1.664 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660891039 453634184 /nfs/dbraw/zinc/63/41/84/453634184.db2.gz SZOQAQJFKPSELP-IAGOWNOFSA-N 2 2 338.496 1.080 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660891039 453634188 /nfs/dbraw/zinc/63/41/88/453634188.db2.gz SZOQAQJFKPSELP-IAGOWNOFSA-N 2 2 338.496 1.080 20 0 EDADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000665298021 453640827 /nfs/dbraw/zinc/64/08/27/453640827.db2.gz QKIZWTLZLSIDIT-GWCFXTLKSA-N 2 2 333.885 1.897 20 0 EDADLP COC1CC(CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000665378357 453673666 /nfs/dbraw/zinc/67/36/66/453673666.db2.gz QLVGPGBYMRZQQI-UHFFFAOYSA-N 2 2 340.512 1.469 20 0 EDADLP COC1CC(CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000665378357 453673673 /nfs/dbraw/zinc/67/36/73/453673673.db2.gz QLVGPGBYMRZQQI-UHFFFAOYSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1ccc(CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657092289 453675759 /nfs/dbraw/zinc/67/57/59/453675759.db2.gz SMWPUVUPTVHZMD-UHFFFAOYSA-N 2 2 345.484 1.437 20 0 EDADLP Cc1ccc(CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657092289 453675762 /nfs/dbraw/zinc/67/57/62/453675762.db2.gz SMWPUVUPTVHZMD-UHFFFAOYSA-N 2 2 345.484 1.437 20 0 EDADLP c1nn2c(c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000657293370 453758591 /nfs/dbraw/zinc/75/85/91/453758591.db2.gz MMTLVGGEJFLLAS-UHFFFAOYSA-N 2 2 326.444 1.951 20 0 EDADLP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657362612 453775292 /nfs/dbraw/zinc/77/52/92/453775292.db2.gz FBUHFWUTZSJKPJ-KRWDZBQOSA-N 2 2 347.507 1.184 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661365442 453801199 /nfs/dbraw/zinc/80/11/99/453801199.db2.gz ACTXCVIQQCYOMP-ZACQAIPSSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661365442 453801201 /nfs/dbraw/zinc/80/12/01/453801201.db2.gz ACTXCVIQQCYOMP-ZACQAIPSSA-N 2 2 336.480 1.119 20 0 EDADLP CCNc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000672238532 486671008 /nfs/dbraw/zinc/67/10/08/486671008.db2.gz XBBFAVIEVSYACA-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000672238532 486671010 /nfs/dbraw/zinc/67/10/10/486671010.db2.gz XBBFAVIEVSYACA-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000672238532 486671014 /nfs/dbraw/zinc/67/10/14/486671014.db2.gz XBBFAVIEVSYACA-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000672238532 486671018 /nfs/dbraw/zinc/67/10/18/486671018.db2.gz XBBFAVIEVSYACA-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000672238532 486671022 /nfs/dbraw/zinc/67/10/22/486671022.db2.gz XBBFAVIEVSYACA-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000672238532 486671026 /nfs/dbraw/zinc/67/10/26/486671026.db2.gz XBBFAVIEVSYACA-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676250247 486708754 /nfs/dbraw/zinc/70/87/54/486708754.db2.gz GAKQLMPWVRZRQM-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676250247 486708757 /nfs/dbraw/zinc/70/87/57/486708757.db2.gz GAKQLMPWVRZRQM-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676250247 486708758 /nfs/dbraw/zinc/70/87/58/486708758.db2.gz GAKQLMPWVRZRQM-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676250247 486708761 /nfs/dbraw/zinc/70/87/61/486708761.db2.gz GAKQLMPWVRZRQM-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@H](Nc3nc(N4CCOCC4)cc[nH+]3)C2)cc1 ZINC000676303826 486726508 /nfs/dbraw/zinc/72/65/08/486726508.db2.gz GTXBEDBHKOGLMM-KRWDZBQOSA-N 2 2 339.443 2.000 20 0 EDADLP c1ccc(C[N@H+]2CC[C@H](Nc3nc(N4CCOCC4)cc[nH+]3)C2)cc1 ZINC000676303826 486726513 /nfs/dbraw/zinc/72/65/13/486726513.db2.gz GTXBEDBHKOGLMM-KRWDZBQOSA-N 2 2 339.443 2.000 20 0 EDADLP c1cc2c(s1)CC[N@@H+](CCNc1nc(N3CCOCC3)cc[nH+]1)C2 ZINC000676308553 486730498 /nfs/dbraw/zinc/73/04/98/486730498.db2.gz UHIUAKMCRDCNJL-UHFFFAOYSA-N 2 2 345.472 1.845 20 0 EDADLP c1cc2c(s1)CC[N@H+](CCNc1nc(N3CCOCC3)cc[nH+]1)C2 ZINC000676308553 486730501 /nfs/dbraw/zinc/73/05/01/486730501.db2.gz UHIUAKMCRDCNJL-UHFFFAOYSA-N 2 2 345.472 1.845 20 0 EDADLP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676349884 486745410 /nfs/dbraw/zinc/74/54/10/486745410.db2.gz YVLAVJOHOZJTTM-MAZHCROVSA-N 2 2 339.867 1.778 20 0 EDADLP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676349884 486745412 /nfs/dbraw/zinc/74/54/12/486745412.db2.gz YVLAVJOHOZJTTM-MAZHCROVSA-N 2 2 339.867 1.778 20 0 EDADLP CS(=O)(=O)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680329904 486751803 /nfs/dbraw/zinc/75/18/03/486751803.db2.gz UBRWQNNMYQHPCW-UHFFFAOYSA-N 2 2 325.459 1.943 20 0 EDADLP Cc1oc(C2CC2)nc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000576964925 486771881 /nfs/dbraw/zinc/77/18/81/486771881.db2.gz CQGKEHAIPKBTSL-UHFFFAOYSA-N 2 2 334.464 1.958 20 0 EDADLP Cc1oc(C2CC2)nc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000576964925 486771889 /nfs/dbraw/zinc/77/18/89/486771889.db2.gz CQGKEHAIPKBTSL-UHFFFAOYSA-N 2 2 334.464 1.958 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000667423930 486774533 /nfs/dbraw/zinc/77/45/33/486774533.db2.gz YKWFVEAKOXRDKC-HUUCEWRRSA-N 2 2 332.448 1.228 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000667423930 486774536 /nfs/dbraw/zinc/77/45/36/486774536.db2.gz YKWFVEAKOXRDKC-HUUCEWRRSA-N 2 2 332.448 1.228 20 0 EDADLP CC[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000680601777 486825765 /nfs/dbraw/zinc/82/57/65/486825765.db2.gz FFASHFGBNBQPBS-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CC[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000680601777 486825769 /nfs/dbraw/zinc/82/57/69/486825769.db2.gz FFASHFGBNBQPBS-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000672889312 486831572 /nfs/dbraw/zinc/83/15/72/486831572.db2.gz VJPLZOKRDGGLMW-OAHLLOKOSA-N 2 2 345.491 1.672 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000672889312 486831575 /nfs/dbraw/zinc/83/15/75/486831575.db2.gz VJPLZOKRDGGLMW-OAHLLOKOSA-N 2 2 345.491 1.672 20 0 EDADLP COc1cc2c(cc1C[NH+]1CCN([C@H]3CCC[N@H+](C)C3)CC1)OCO2 ZINC000680650877 486842204 /nfs/dbraw/zinc/84/22/04/486842204.db2.gz PCLNHQRHVRXTEN-INIZCTEOSA-N 2 2 347.459 1.636 20 0 EDADLP COc1cc2c(cc1C[NH+]1CCN([C@H]3CCC[N@@H+](C)C3)CC1)OCO2 ZINC000680650877 486842211 /nfs/dbraw/zinc/84/22/11/486842211.db2.gz PCLNHQRHVRXTEN-INIZCTEOSA-N 2 2 347.459 1.636 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667564168 486849385 /nfs/dbraw/zinc/84/93/85/486849385.db2.gz CNGZJVBPUQAAQY-IRXDYDNUSA-N 2 2 331.508 1.820 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3OCCc4ccccc43)C2)CC1 ZINC000676730795 486857519 /nfs/dbraw/zinc/85/75/19/486857519.db2.gz URXLCNOOOJYZDE-LPHOPBHVSA-N 2 2 343.471 1.585 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3OCCc4ccccc43)C2)CC1 ZINC000676730795 486857524 /nfs/dbraw/zinc/85/75/24/486857524.db2.gz URXLCNOOOJYZDE-LPHOPBHVSA-N 2 2 343.471 1.585 20 0 EDADLP Cc1cc(C(F)(F)F)ncc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000667612494 486877575 /nfs/dbraw/zinc/87/75/75/486877575.db2.gz GMAZSBCBNDYEOH-SNVBAGLBSA-N 2 2 331.342 1.515 20 0 EDADLP Cc1cc(C(F)(F)F)ncc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000667612494 486877580 /nfs/dbraw/zinc/87/75/80/486877580.db2.gz GMAZSBCBNDYEOH-SNVBAGLBSA-N 2 2 331.342 1.515 20 0 EDADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000673058057 486897506 /nfs/dbraw/zinc/89/75/06/486897506.db2.gz RUTLGFKQUDWHOJ-DOTOQJQBSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000673058057 486897512 /nfs/dbraw/zinc/89/75/12/486897512.db2.gz RUTLGFKQUDWHOJ-DOTOQJQBSA-N 2 2 326.444 1.989 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000681216822 486976371 /nfs/dbraw/zinc/97/63/71/486976371.db2.gz AVVMCEVDFDPJOV-QGZVFWFLSA-N 2 2 346.479 1.095 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000681216822 486976378 /nfs/dbraw/zinc/97/63/78/486976378.db2.gz AVVMCEVDFDPJOV-QGZVFWFLSA-N 2 2 346.479 1.095 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667812554 486978309 /nfs/dbraw/zinc/97/83/09/486978309.db2.gz PYMMXJHWGZGVJQ-HOTGVXAUSA-N 3 2 347.507 1.389 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667812554 486978313 /nfs/dbraw/zinc/97/83/13/486978313.db2.gz PYMMXJHWGZGVJQ-HOTGVXAUSA-N 3 2 347.507 1.389 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667812554 486978318 /nfs/dbraw/zinc/97/83/18/486978318.db2.gz PYMMXJHWGZGVJQ-HOTGVXAUSA-N 3 2 347.507 1.389 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667812554 486978324 /nfs/dbraw/zinc/97/83/24/486978324.db2.gz PYMMXJHWGZGVJQ-HOTGVXAUSA-N 3 2 347.507 1.389 20 0 EDADLP COc1cccc(C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000677129786 486981983 /nfs/dbraw/zinc/98/19/83/486981983.db2.gz OYZXJSCBXPEVPV-GOSISDBHSA-N 2 2 331.460 1.380 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681274428 486998483 /nfs/dbraw/zinc/99/84/83/486998483.db2.gz OUXLYXQMHGEWDN-WBVHZDCISA-N 3 2 338.540 1.780 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681274428 486998486 /nfs/dbraw/zinc/99/84/86/486998486.db2.gz OUXLYXQMHGEWDN-WBVHZDCISA-N 3 2 338.540 1.780 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(C(F)F)CC3)C2)CC1 ZINC000684266398 487006828 /nfs/dbraw/zinc/00/68/28/487006828.db2.gz VUAUAFNJXGOZJY-GFCCVEGCSA-N 2 2 330.423 1.499 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(C(F)F)CC3)C2)CC1 ZINC000684266398 487006833 /nfs/dbraw/zinc/00/68/33/487006833.db2.gz VUAUAFNJXGOZJY-GFCCVEGCSA-N 2 2 330.423 1.499 20 0 EDADLP O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667989452 487049501 /nfs/dbraw/zinc/04/95/01/487049501.db2.gz MAPGSEFEUHSUFP-AWEZNQCLSA-N 2 2 326.404 1.303 20 0 EDADLP O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667989452 487049508 /nfs/dbraw/zinc/04/95/08/487049508.db2.gz MAPGSEFEUHSUFP-AWEZNQCLSA-N 2 2 326.404 1.303 20 0 EDADLP CN(Cc1c[nH+]c2n1CCC2)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000668013781 487059601 /nfs/dbraw/zinc/05/96/01/487059601.db2.gz HOXQGLYZQLBDLO-HXUWFJFHSA-N 2 2 340.471 1.898 20 0 EDADLP CN(Cc1c[nH+]c2n1CCC2)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000668013781 487059607 /nfs/dbraw/zinc/05/96/07/487059607.db2.gz HOXQGLYZQLBDLO-HXUWFJFHSA-N 2 2 340.471 1.898 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C2 ZINC000681508122 487063609 /nfs/dbraw/zinc/06/36/09/487063609.db2.gz JQCNZHPQOZXBQS-GJZGRUSLSA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C2 ZINC000681508122 487063611 /nfs/dbraw/zinc/06/36/11/487063611.db2.gz JQCNZHPQOZXBQS-GJZGRUSLSA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000681508122 487063613 /nfs/dbraw/zinc/06/36/13/487063613.db2.gz JQCNZHPQOZXBQS-GJZGRUSLSA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000681508122 487063616 /nfs/dbraw/zinc/06/36/16/487063616.db2.gz JQCNZHPQOZXBQS-GJZGRUSLSA-N 2 2 334.464 1.296 20 0 EDADLP C[C@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@@H]1C[NH+](C)CCO1 ZINC000677432710 487079661 /nfs/dbraw/zinc/07/96/61/487079661.db2.gz JKCLXDKRLPJWKL-JQFCIGGWSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@@H]1C[NH+](C)CCO1 ZINC000677432710 487079663 /nfs/dbraw/zinc/07/96/63/487079663.db2.gz JKCLXDKRLPJWKL-JQFCIGGWSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@@H]1C[N@H+](C)CCO1 ZINC000677432710 487079666 /nfs/dbraw/zinc/07/96/66/487079666.db2.gz JKCLXDKRLPJWKL-JQFCIGGWSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000677432710 487079668 /nfs/dbraw/zinc/07/96/68/487079668.db2.gz JKCLXDKRLPJWKL-JQFCIGGWSA-N 2 2 332.448 1.191 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000673668086 487084334 /nfs/dbraw/zinc/08/43/34/487084334.db2.gz NVCDKROCBVFJLC-UHFFFAOYSA-N 2 2 347.507 1.668 20 0 EDADLP C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000673670710 487085537 /nfs/dbraw/zinc/08/55/37/487085537.db2.gz NQPFEJRQCXVPOA-MRXNPFEDSA-N 2 2 345.487 1.979 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000684661502 487128950 /nfs/dbraw/zinc/12/89/50/487128950.db2.gz YZKUZETYADXPKN-KGLIPLIRSA-N 2 2 344.450 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000684661502 487128952 /nfs/dbraw/zinc/12/89/52/487128952.db2.gz YZKUZETYADXPKN-KGLIPLIRSA-N 2 2 344.450 1.890 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000677617437 487132564 /nfs/dbraw/zinc/13/25/64/487132564.db2.gz CTKRZPVPRGUHOD-OAHLLOKOSA-N 2 2 329.404 1.663 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cn1 ZINC000673868718 487140357 /nfs/dbraw/zinc/14/03/57/487140357.db2.gz FTTCFDTWRKRBRH-UHFFFAOYSA-N 2 2 331.424 1.510 20 0 EDADLP CC(C)N1CC[NH+](C2CCN(C(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000677649678 487142373 /nfs/dbraw/zinc/14/23/73/487142373.db2.gz LOEMLTNDYWBDNJ-UHFFFAOYSA-N 2 2 348.495 1.083 20 0 EDADLP C[C@@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677904721 487197169 /nfs/dbraw/zinc/19/71/69/487197169.db2.gz BLOLMVIFYRKIHA-HUUCEWRRSA-N 2 2 345.447 1.787 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677904721 487197170 /nfs/dbraw/zinc/19/71/70/487197170.db2.gz BLOLMVIFYRKIHA-HUUCEWRRSA-N 2 2 345.447 1.787 20 0 EDADLP CCNC(=O)N1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678127774 487253767 /nfs/dbraw/zinc/25/37/67/487253767.db2.gz IJKBBFIGLMGDDL-UHFFFAOYSA-N 2 2 334.464 1.474 20 0 EDADLP COc1cc(C)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681993077 487273900 /nfs/dbraw/zinc/27/39/00/487273900.db2.gz BIUUJPFGCONJIY-HNNXBMFYSA-N 2 2 331.460 1.902 20 0 EDADLP COc1cc(C)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681993077 487273902 /nfs/dbraw/zinc/27/39/02/487273902.db2.gz BIUUJPFGCONJIY-HNNXBMFYSA-N 2 2 331.460 1.902 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3c[nH+]c4ccc(Cl)cn34)CCN2C1=O ZINC000678333374 487290955 /nfs/dbraw/zinc/29/09/55/487290955.db2.gz AFDZAZMYJMVDMR-ZDUSSCGKSA-N 2 2 347.806 1.456 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3c[nH+]c4ccc(Cl)cn34)CCN2C1=O ZINC000678333374 487290957 /nfs/dbraw/zinc/29/09/57/487290957.db2.gz AFDZAZMYJMVDMR-ZDUSSCGKSA-N 2 2 347.806 1.456 20 0 EDADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1O ZINC000685647692 487307537 /nfs/dbraw/zinc/30/75/37/487307537.db2.gz SRFZMMOHLYIFHE-NVXWUHKLSA-N 2 2 349.475 1.458 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000685682106 487311955 /nfs/dbraw/zinc/31/19/55/487311955.db2.gz NTFBRWSSHADQMM-QGZVFWFLSA-N 2 2 346.475 1.516 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000682295992 487341118 /nfs/dbraw/zinc/34/11/18/487341118.db2.gz TUXLFFBBIOJKFG-HIFRSBDPSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000682295992 487341121 /nfs/dbraw/zinc/34/11/21/487341121.db2.gz TUXLFFBBIOJKFG-HIFRSBDPSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCC[NH+]2CCSCC2)C1 ZINC000533820904 487351591 /nfs/dbraw/zinc/35/15/91/487351591.db2.gz WJYLWBTYCGMNGK-INIZCTEOSA-N 2 2 334.489 1.521 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCC[NH+]2CCSCC2)C1 ZINC000533820904 487351595 /nfs/dbraw/zinc/35/15/95/487351595.db2.gz WJYLWBTYCGMNGK-INIZCTEOSA-N 2 2 334.489 1.521 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000675194481 487387719 /nfs/dbraw/zinc/38/77/19/487387719.db2.gz OJYBJGUNOZTLJQ-QGZVFWFLSA-N 2 2 348.495 1.122 20 0 EDADLP CCN1OC[C@H]([N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000682677877 487404466 /nfs/dbraw/zinc/40/44/66/487404466.db2.gz HAMYPJLHANUVTG-INIZCTEOSA-N 2 2 332.448 1.782 20 0 EDADLP CCN1OC[C@H]([N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000682677877 487404467 /nfs/dbraw/zinc/40/44/67/487404467.db2.gz HAMYPJLHANUVTG-INIZCTEOSA-N 2 2 332.448 1.782 20 0 EDADLP c1cn(-c2cc(N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)ncn2)c[nH+]1 ZINC000675636546 487431066 /nfs/dbraw/zinc/43/10/66/487431066.db2.gz ZFTMNEXEUOAZTL-LSDHHAIUSA-N 2 2 328.420 1.718 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(F)cn3)CC2)CC1 ZINC000675710984 487437138 /nfs/dbraw/zinc/43/71/38/487437138.db2.gz QXDOBMPGESXJNR-UHFFFAOYSA-N 2 2 349.454 1.579 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C1 ZINC000675746063 487440577 /nfs/dbraw/zinc/44/05/77/487440577.db2.gz BNMOTEGTHZMSGR-RDJZCZTQSA-N 2 2 339.505 1.693 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C1 ZINC000675746063 487440580 /nfs/dbraw/zinc/44/05/80/487440580.db2.gz BNMOTEGTHZMSGR-RDJZCZTQSA-N 2 2 339.505 1.693 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000675782614 487443785 /nfs/dbraw/zinc/44/37/85/487443785.db2.gz VVNWBYIALLOVOC-ZDUSSCGKSA-N 2 2 344.459 1.341 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000675855358 487452814 /nfs/dbraw/zinc/45/28/14/487452814.db2.gz YLOKUNRJLWBIMG-JKIFEVAISA-N 2 2 328.460 1.437 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000675855358 487452816 /nfs/dbraw/zinc/45/28/16/487452816.db2.gz YLOKUNRJLWBIMG-JKIFEVAISA-N 2 2 328.460 1.437 20 0 EDADLP CC[N@H+](CCNc1nc(N2CCOCC2)cc[nH+]1)CCC(F)(F)F ZINC000683140899 487454165 /nfs/dbraw/zinc/45/41/65/487454165.db2.gz IJBNDUZMWRCEEI-UHFFFAOYSA-N 2 2 347.385 1.999 20 0 EDADLP CC[N@@H+](CCNc1nc(N2CCOCC2)cc[nH+]1)CCC(F)(F)F ZINC000683140899 487454167 /nfs/dbraw/zinc/45/41/67/487454167.db2.gz IJBNDUZMWRCEEI-UHFFFAOYSA-N 2 2 347.385 1.999 20 0 EDADLP C[C@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccncc1 ZINC000675926720 487459690 /nfs/dbraw/zinc/45/96/90/487459690.db2.gz FGILEBGCEJAUGI-QGZVFWFLSA-N 2 2 332.492 1.571 20 0 EDADLP C[C@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccncc1 ZINC000675926720 487459692 /nfs/dbraw/zinc/45/96/92/487459692.db2.gz FGILEBGCEJAUGI-QGZVFWFLSA-N 2 2 332.492 1.571 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)[nH+]c12 ZINC000669512066 485476654 /nfs/dbraw/zinc/47/66/54/485476654.db2.gz UNGJVHIZAVLKIT-XIRDDKMYSA-N 2 2 341.459 1.954 20 0 EDADLP CCCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH2+]CC1 ZINC000669542910 485528802 /nfs/dbraw/zinc/52/88/02/485528802.db2.gz RVLPGLGSGZFKLU-HNNXBMFYSA-N 2 2 331.464 1.834 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nc12 ZINC000324362294 485545548 /nfs/dbraw/zinc/54/55/48/485545548.db2.gz IMWHRTHJMACYKM-RDJZCZTQSA-N 2 2 326.444 1.967 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nc12 ZINC000324362294 485545555 /nfs/dbraw/zinc/54/55/55/485545555.db2.gz IMWHRTHJMACYKM-RDJZCZTQSA-N 2 2 326.444 1.967 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000669153520 485744102 /nfs/dbraw/zinc/74/41/02/485744102.db2.gz ITJIWNNTMNQWIJ-QGZVFWFLSA-N 2 2 335.427 1.525 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345205028 485966149 /nfs/dbraw/zinc/96/61/49/485966149.db2.gz HQUNXUJJDQMYEV-AEFFLSMTSA-N 2 2 348.491 1.902 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000669366416 486013625 /nfs/dbraw/zinc/01/36/25/486013625.db2.gz NACDXQGMENXQFJ-JFIYKMOQSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C(=O)N1CCOCC1 ZINC000284840264 486032277 /nfs/dbraw/zinc/03/22/77/486032277.db2.gz NMKMHOHOOBTOTP-GDBMZVCRSA-N 2 2 328.416 1.261 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C(=O)N1CCOCC1 ZINC000284840264 486032284 /nfs/dbraw/zinc/03/22/84/486032284.db2.gz NMKMHOHOOBTOTP-GDBMZVCRSA-N 2 2 328.416 1.261 20 0 EDADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694682 486096833 /nfs/dbraw/zinc/09/68/33/486096833.db2.gz DPIHGQWXUYGSLQ-CQSZACIVSA-N 2 2 340.493 1.338 20 0 EDADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694682 486096838 /nfs/dbraw/zinc/09/68/38/486096838.db2.gz DPIHGQWXUYGSLQ-CQSZACIVSA-N 2 2 340.493 1.338 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C1 ZINC000668739202 486108516 /nfs/dbraw/zinc/10/85/16/486108516.db2.gz KQBVNPSDOLULRI-INIZCTEOSA-N 2 2 332.473 1.965 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C1 ZINC000668739202 486108521 /nfs/dbraw/zinc/10/85/21/486108521.db2.gz KQBVNPSDOLULRI-INIZCTEOSA-N 2 2 332.473 1.965 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)cc2[nH+]1 ZINC000668165305 486184204 /nfs/dbraw/zinc/18/42/04/486184204.db2.gz SXNBLABUHBYRKB-HNNXBMFYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@@H]3CCCC[N@H+]3CCO)cc2[nH+]1 ZINC000668165305 486184211 /nfs/dbraw/zinc/18/42/11/486184211.db2.gz SXNBLABUHBYRKB-HNNXBMFYSA-N 2 2 331.420 1.611 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000668889106 486307016 /nfs/dbraw/zinc/30/70/16/486307016.db2.gz OEKGRSFJNNRNLL-OAHLLOKOSA-N 2 2 333.411 1.947 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000135940595 491230466 /nfs/dbraw/zinc/23/04/66/491230466.db2.gz ODAWYYYRXGVJBI-NSHDSACASA-N 2 2 331.445 1.919 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000135940595 491230469 /nfs/dbraw/zinc/23/04/69/491230469.db2.gz ODAWYYYRXGVJBI-NSHDSACASA-N 2 2 331.445 1.919 20 0 EDADLP CCC[NH+]1CCC(N(C)C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000304721281 491005665 /nfs/dbraw/zinc/00/56/65/491005665.db2.gz OQXVJBJOHWOYFR-SOLBZPMBSA-N 2 2 327.513 1.263 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000304721281 491005662 /nfs/dbraw/zinc/00/56/62/491005662.db2.gz OQXVJBJOHWOYFR-SOLBZPMBSA-N 2 2 327.513 1.263 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000304721281 491005663 /nfs/dbraw/zinc/00/56/63/491005663.db2.gz OQXVJBJOHWOYFR-SOLBZPMBSA-N 2 2 327.513 1.263 20 0 EDADLP CCC[NH+]1CCC(N(C)C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000304721281 491005664 /nfs/dbraw/zinc/00/56/64/491005664.db2.gz OQXVJBJOHWOYFR-SOLBZPMBSA-N 2 2 327.513 1.263 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4cc[nH]c4n3)C2)CC1 ZINC000679409101 491011417 /nfs/dbraw/zinc/01/14/17/491011417.db2.gz WNJLVFNSAKKFIE-AWEZNQCLSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4cc[nH]c4n3)C2)CC1 ZINC000679409101 491011418 /nfs/dbraw/zinc/01/14/18/491011418.db2.gz WNJLVFNSAKKFIE-AWEZNQCLSA-N 2 2 327.432 1.461 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cn[nH]c1 ZINC000085824739 491189254 /nfs/dbraw/zinc/18/92/54/491189254.db2.gz GAXHNNBAHLLEJO-UHFFFAOYSA-N 2 2 341.459 1.754 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cn[nH]c1 ZINC000085824739 491189256 /nfs/dbraw/zinc/18/92/56/491189256.db2.gz GAXHNNBAHLLEJO-UHFFFAOYSA-N 2 2 341.459 1.754 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000422838322 500698222 /nfs/dbraw/zinc/69/82/22/500698222.db2.gz ODTCQMGOVBHPHP-OQIJWPOYSA-N 2 2 345.487 1.780 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000422838322 500698229 /nfs/dbraw/zinc/69/82/29/500698229.db2.gz ODTCQMGOVBHPHP-OQIJWPOYSA-N 2 2 345.487 1.780 20 0 EDADLP CC1CC[NH+](CC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000178147562 528227724 /nfs/dbraw/zinc/22/77/24/528227724.db2.gz JORPPLVDVCKULF-LJQANCHMSA-N 2 2 345.487 1.596 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000174447525 528986516 /nfs/dbraw/zinc/98/65/16/528986516.db2.gz WBSXBJPMMYFRSY-UHFFFAOYSA-N 2 2 330.476 1.846 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236677811 534933508 /nfs/dbraw/zinc/93/35/08/534933508.db2.gz AUIVQZGGUSSUKI-QGZVFWFLSA-N 2 2 333.476 1.769 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236677811 534933514 /nfs/dbraw/zinc/93/35/14/534933514.db2.gz AUIVQZGGUSSUKI-QGZVFWFLSA-N 2 2 333.476 1.769 20 0 EDADLP CC(C)[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCO1 ZINC000339818354 535236372 /nfs/dbraw/zinc/23/63/72/535236372.db2.gz KGEYQAMLAXCBKP-GOSISDBHSA-N 2 2 349.475 1.671 20 0 EDADLP CC(C)[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCO1 ZINC000339818354 535236376 /nfs/dbraw/zinc/23/63/76/535236376.db2.gz KGEYQAMLAXCBKP-GOSISDBHSA-N 2 2 349.475 1.671 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354424496 535321534 /nfs/dbraw/zinc/32/15/34/535321534.db2.gz ZXGGRBQBLWAUCD-UHFFFAOYSA-N 2 2 335.496 1.956 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000344884975 535483873 /nfs/dbraw/zinc/48/38/73/535483873.db2.gz LZDCHUXPCAWUQM-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000344884975 535483877 /nfs/dbraw/zinc/48/38/77/535483877.db2.gz LZDCHUXPCAWUQM-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346311617 535494051 /nfs/dbraw/zinc/49/40/51/535494051.db2.gz DLGKHIHAIKTCBS-CQSZACIVSA-N 2 2 340.474 1.447 20 0 EDADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346311617 535494053 /nfs/dbraw/zinc/49/40/53/535494053.db2.gz DLGKHIHAIKTCBS-CQSZACIVSA-N 2 2 340.474 1.447 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@H]1Oc1ccccc1 ZINC000346659978 535503281 /nfs/dbraw/zinc/50/32/81/535503281.db2.gz NOAMLSHIPYEMFB-QXCFHYIPSA-N 2 2 334.460 1.658 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515819 535543106 /nfs/dbraw/zinc/54/31/06/535543106.db2.gz ILWPFLQCQJSLLG-XYJFISCASA-N 2 2 337.508 1.866 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515819 535543111 /nfs/dbraw/zinc/54/31/11/535543111.db2.gz ILWPFLQCQJSLLG-XYJFISCASA-N 2 2 337.508 1.866 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246515819 535543117 /nfs/dbraw/zinc/54/31/17/535543117.db2.gz ILWPFLQCQJSLLG-XYJFISCASA-N 2 2 337.508 1.866 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246515819 535543122 /nfs/dbraw/zinc/54/31/22/535543122.db2.gz ILWPFLQCQJSLLG-XYJFISCASA-N 2 2 337.508 1.866 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000340049514 535564229 /nfs/dbraw/zinc/56/42/29/535564229.db2.gz YCOLGIMBMMCVMK-GJZGRUSLSA-N 2 2 349.541 1.135 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249700752 535564932 /nfs/dbraw/zinc/56/49/32/535564932.db2.gz XXAFKUYDFUUHBP-VQHPVUNQSA-N 2 2 325.497 1.721 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249700752 535564933 /nfs/dbraw/zinc/56/49/33/535564933.db2.gz XXAFKUYDFUUHBP-VQHPVUNQSA-N 2 2 325.497 1.721 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3C)C2)CC1 ZINC000107371675 535734191 /nfs/dbraw/zinc/73/41/91/535734191.db2.gz BCSYDCMCISPNHA-QGZVFWFLSA-N 2 2 330.476 1.645 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3C)C2)CC1 ZINC000107371675 535734193 /nfs/dbraw/zinc/73/41/93/535734193.db2.gz BCSYDCMCISPNHA-QGZVFWFLSA-N 2 2 330.476 1.645 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cn2)CC1 ZINC000247053566 536426954 /nfs/dbraw/zinc/42/69/54/536426954.db2.gz VDLZKZXMLGKWKU-ROUUACIJSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cn2)CC1 ZINC000247053566 536426956 /nfs/dbraw/zinc/42/69/56/536426956.db2.gz VDLZKZXMLGKWKU-ROUUACIJSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cn2)CC1 ZINC000247053566 536426959 /nfs/dbraw/zinc/42/69/59/536426959.db2.gz VDLZKZXMLGKWKU-ROUUACIJSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cn2)CC1 ZINC000247053566 536426961 /nfs/dbraw/zinc/42/69/61/536426961.db2.gz VDLZKZXMLGKWKU-ROUUACIJSA-N 3 2 344.507 1.145 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000261611623 536774193 /nfs/dbraw/zinc/77/41/93/536774193.db2.gz BEEFPKZRKQPWHG-PWSUYJOCSA-N 2 2 341.839 1.382 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000261611623 536774198 /nfs/dbraw/zinc/77/41/98/536774198.db2.gz BEEFPKZRKQPWHG-PWSUYJOCSA-N 2 2 341.839 1.382 20 0 EDADLP COCC[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC(C)C ZINC000076940808 536813174 /nfs/dbraw/zinc/81/31/74/536813174.db2.gz YLJLUZYBTXSVJC-UHFFFAOYSA-N 2 2 337.464 1.528 20 0 EDADLP COCC[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC(C)C ZINC000076940808 536813179 /nfs/dbraw/zinc/81/31/79/536813179.db2.gz YLJLUZYBTXSVJC-UHFFFAOYSA-N 2 2 337.464 1.528 20 0 EDADLP COCCn1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000352977048 536841179 /nfs/dbraw/zinc/84/11/79/536841179.db2.gz NOOGQRJYOQJOFS-ROUUACIJSA-N 2 2 349.523 1.520 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000742108808 579435320 /nfs/dbraw/zinc/43/53/20/579435320.db2.gz BTFRWMFEWOZRMV-GOSISDBHSA-N 2 2 330.476 1.932 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000742108808 579435321 /nfs/dbraw/zinc/43/53/21/579435321.db2.gz BTFRWMFEWOZRMV-GOSISDBHSA-N 2 2 330.476 1.932 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000742108808 579435322 /nfs/dbraw/zinc/43/53/22/579435322.db2.gz BTFRWMFEWOZRMV-GOSISDBHSA-N 2 2 330.476 1.932 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000742108808 579435323 /nfs/dbraw/zinc/43/53/23/579435323.db2.gz BTFRWMFEWOZRMV-GOSISDBHSA-N 2 2 330.476 1.932 20 0 EDADLP Cn1cc[nH+]c1C[C@@H](NC(=S)NCC[NH+](C)C)c1ccccc1 ZINC000743021290 579468064 /nfs/dbraw/zinc/46/80/64/579468064.db2.gz GRPHNFURUXPASM-OAHLLOKOSA-N 2 2 331.489 1.730 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737649314 578280110 /nfs/dbraw/zinc/28/01/10/578280110.db2.gz LMDWFHCGKOUNMO-ZDUSSCGKSA-N 2 2 330.411 1.924 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000726254436 578338467 /nfs/dbraw/zinc/33/84/67/578338467.db2.gz GPVBYFNIXRDBAI-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000726254436 578338468 /nfs/dbraw/zinc/33/84/68/578338468.db2.gz GPVBYFNIXRDBAI-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000728396802 578547447 /nfs/dbraw/zinc/54/74/47/578547447.db2.gz ZMQVYSXWKVJDEA-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000728396802 578547448 /nfs/dbraw/zinc/54/74/48/578547448.db2.gz ZMQVYSXWKVJDEA-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000729590855 578583262 /nfs/dbraw/zinc/58/32/62/578583262.db2.gz AXACQGUDJDAXRN-INIZCTEOSA-N 2 2 348.491 1.610 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000729620036 578585273 /nfs/dbraw/zinc/58/52/73/578585273.db2.gz OZDFNSSJDQUFQN-CABCVRRESA-N 2 2 333.436 1.162 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000729979653 578605318 /nfs/dbraw/zinc/60/53/18/578605318.db2.gz FTJILDNGMALPJN-HNNXBMFYSA-N 2 2 329.404 1.108 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000729979653 578605319 /nfs/dbraw/zinc/60/53/19/578605319.db2.gz FTJILDNGMALPJN-HNNXBMFYSA-N 2 2 329.404 1.108 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000730736389 578656175 /nfs/dbraw/zinc/65/61/75/578656175.db2.gz VXCZENUDVJTKIU-MRXNPFEDSA-N 2 2 340.537 1.143 20 0 EDADLP CN(C(=O)CCCn1cccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559259 578717903 /nfs/dbraw/zinc/71/79/03/578717903.db2.gz JPTSJBNELXCQIZ-QGZVFWFLSA-N 2 2 333.480 1.290 20 0 EDADLP CN(C(=O)CCCn1cccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559259 578717905 /nfs/dbraw/zinc/71/79/05/578717905.db2.gz JPTSJBNELXCQIZ-QGZVFWFLSA-N 2 2 333.480 1.290 20 0 EDADLP CN(C(=O)/C=C\c1cnn(C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559778 578717992 /nfs/dbraw/zinc/71/79/92/578717992.db2.gz RANKQSCCVQUWDQ-CHYADLBTSA-N 2 2 331.464 1.060 20 0 EDADLP CN(C(=O)/C=C\c1cnn(C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559778 578717993 /nfs/dbraw/zinc/71/79/93/578717993.db2.gz RANKQSCCVQUWDQ-CHYADLBTSA-N 2 2 331.464 1.060 20 0 EDADLP CSCCCNC(=S)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732721687 578725667 /nfs/dbraw/zinc/72/56/67/578725667.db2.gz UUJLWZAJEFMSQY-ZDUSSCGKSA-N 2 2 330.567 1.372 20 0 EDADLP CSCCCNC(=S)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732721687 578725669 /nfs/dbraw/zinc/72/56/69/578725669.db2.gz UUJLWZAJEFMSQY-ZDUSSCGKSA-N 2 2 330.567 1.372 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000733646272 578778254 /nfs/dbraw/zinc/77/82/54/578778254.db2.gz LXKKGSYAOCSWPQ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000733646272 578778256 /nfs/dbraw/zinc/77/82/56/578778256.db2.gz LXKKGSYAOCSWPQ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000733646272 578778258 /nfs/dbraw/zinc/77/82/58/578778258.db2.gz LXKKGSYAOCSWPQ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000733646272 578778260 /nfs/dbraw/zinc/77/82/60/578778260.db2.gz LXKKGSYAOCSWPQ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)CC[C@H](NC(=S)NCC[NH+]1CCOCC1)C(C)(C)C ZINC000734765618 578833661 /nfs/dbraw/zinc/83/36/61/578833661.db2.gz MXSPPFPRAXZKRA-AWEZNQCLSA-N 2 2 330.542 1.149 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736759171 579018198 /nfs/dbraw/zinc/01/81/98/579018198.db2.gz OVNNHGAMZCLXER-NSHDSACASA-N 2 2 349.464 1.140 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736759171 579018199 /nfs/dbraw/zinc/01/81/99/579018199.db2.gz OVNNHGAMZCLXER-NSHDSACASA-N 2 2 349.464 1.140 20 0 EDADLP CC[C@H](C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1)[NH+](CC)CC ZINC000746303708 579585932 /nfs/dbraw/zinc/58/59/32/579585932.db2.gz RUURZGCNITZNHX-ZIAGYGMSSA-N 2 2 326.510 1.742 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000746318758 579586969 /nfs/dbraw/zinc/58/69/69/579586969.db2.gz RQHTXBKNXVMTGP-SJORKVTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000746318758 579586971 /nfs/dbraw/zinc/58/69/71/579586971.db2.gz RQHTXBKNXVMTGP-SJORKVTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000746318758 579586972 /nfs/dbraw/zinc/58/69/72/579586972.db2.gz RQHTXBKNXVMTGP-SJORKVTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000746318758 579586974 /nfs/dbraw/zinc/58/69/74/579586974.db2.gz RQHTXBKNXVMTGP-SJORKVTESA-N 2 2 340.512 1.374 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000749812128 579740932 /nfs/dbraw/zinc/74/09/32/579740932.db2.gz QLHQHUIMQVVUFM-HUUCEWRRSA-N 2 2 327.469 1.384 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000749812128 579740933 /nfs/dbraw/zinc/74/09/33/579740933.db2.gz QLHQHUIMQVVUFM-HUUCEWRRSA-N 2 2 327.469 1.384 20 0 EDADLP CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000750052007 579750111 /nfs/dbraw/zinc/75/01/11/579750111.db2.gz BJXNVCPCMNHTPP-UHFFFAOYSA-N 2 2 336.399 1.402 20 0 EDADLP CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000750052007 579750113 /nfs/dbraw/zinc/75/01/13/579750113.db2.gz BJXNVCPCMNHTPP-UHFFFAOYSA-N 2 2 336.399 1.402 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000754312653 579901097 /nfs/dbraw/zinc/90/10/97/579901097.db2.gz UZWDGGAKZXBIJA-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000754312653 579901098 /nfs/dbraw/zinc/90/10/98/579901098.db2.gz UZWDGGAKZXBIJA-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCCC[NH+]1CCOCC1 ZINC000754510370 579904766 /nfs/dbraw/zinc/90/47/66/579904766.db2.gz PLHYZGNNKIBXKQ-INIZCTEOSA-N 2 2 328.453 1.045 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C(=O)c3cccc(N)c3C2=O)C1 ZINC000755791699 579935262 /nfs/dbraw/zinc/93/52/62/579935262.db2.gz PVYSCSQVPKXVQC-NSHDSACASA-N 2 2 325.372 1.045 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C(=O)c3cccc(N)c3C2=O)C1 ZINC000755791699 579935263 /nfs/dbraw/zinc/93/52/63/579935263.db2.gz PVYSCSQVPKXVQC-NSHDSACASA-N 2 2 325.372 1.045 20 0 EDADLP Cc1cc(OCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC000756125005 579943990 /nfs/dbraw/zinc/94/39/90/579943990.db2.gz SOMQHZGWFCEDTO-XYPWUTKMSA-N 2 2 348.447 1.131 20 0 EDADLP Cc1cc(OCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)no1 ZINC000756125005 579943991 /nfs/dbraw/zinc/94/39/91/579943991.db2.gz SOMQHZGWFCEDTO-XYPWUTKMSA-N 2 2 348.447 1.131 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C ZINC000757665739 579969829 /nfs/dbraw/zinc/96/98/29/579969829.db2.gz OLLGRNFKFUEMMV-BLLLJJGKSA-N 2 2 332.448 1.989 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1C ZINC000757665739 579969830 /nfs/dbraw/zinc/96/98/30/579969830.db2.gz OLLGRNFKFUEMMV-BLLLJJGKSA-N 2 2 332.448 1.989 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@@](C)(c3ccccn3)CC2=O)C1 ZINC000758241354 579978205 /nfs/dbraw/zinc/97/82/05/579978205.db2.gz UIBUNEQZKUARMQ-HLIPFELVSA-N 2 2 342.487 1.945 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@@](C)(c3ccccn3)CC2=O)C1 ZINC000758241354 579978206 /nfs/dbraw/zinc/97/82/06/579978206.db2.gz UIBUNEQZKUARMQ-HLIPFELVSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C[C@@](C)(c3ccccn3)CC2=O)C1 ZINC000758241354 579978207 /nfs/dbraw/zinc/97/82/07/579978207.db2.gz UIBUNEQZKUARMQ-HLIPFELVSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C[C@@](C)(c3ccccn3)CC2=O)C1 ZINC000758241354 579978208 /nfs/dbraw/zinc/97/82/08/579978208.db2.gz UIBUNEQZKUARMQ-HLIPFELVSA-N 2 2 342.487 1.945 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000758735353 579990650 /nfs/dbraw/zinc/99/06/50/579990650.db2.gz CHOGQZPTYMGCDZ-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP c1nc(-c2ccccn2)nn1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000762487606 580075418 /nfs/dbraw/zinc/07/54/18/580075418.db2.gz JTVPIAWOBVAKQT-UHFFFAOYSA-N 2 2 342.447 1.342 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000767757414 580198671 /nfs/dbraw/zinc/19/86/71/580198671.db2.gz XTWSZUXSROLOMJ-MRXNPFEDSA-N 2 2 341.415 1.326 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000767757414 580198672 /nfs/dbraw/zinc/19/86/72/580198672.db2.gz XTWSZUXSROLOMJ-MRXNPFEDSA-N 2 2 341.415 1.326 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)c3cccc4[nH+]ccn43)nc2)CC1 ZINC000770658340 580266868 /nfs/dbraw/zinc/26/68/68/580266868.db2.gz OUDOFARYEQVCLM-UHFFFAOYSA-N 2 2 336.399 1.733 20 0 EDADLP Cc1nnc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000779644997 580492447 /nfs/dbraw/zinc/49/24/47/580492447.db2.gz FDWQFZQHIJLWDC-AWEZNQCLSA-N 2 2 347.444 1.746 20 0 EDADLP Cc1nnc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000779644997 580492448 /nfs/dbraw/zinc/49/24/48/580492448.db2.gz FDWQFZQHIJLWDC-AWEZNQCLSA-N 2 2 347.444 1.746 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccccc3CO)C2)CC1 ZINC000779776713 580496894 /nfs/dbraw/zinc/49/68/94/580496894.db2.gz OTCQUJKEWYQMFA-KRWDZBQOSA-N 2 2 331.460 1.006 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccccc3CO)C2)CC1 ZINC000779776713 580496895 /nfs/dbraw/zinc/49/68/95/580496895.db2.gz OTCQUJKEWYQMFA-KRWDZBQOSA-N 2 2 331.460 1.006 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000783976846 580609814 /nfs/dbraw/zinc/60/98/14/580609814.db2.gz JAOWYCDZNOVYIB-HOCLYGCPSA-N 2 2 325.416 1.926 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2c2ccccn2)C1 ZINC000783976846 580609815 /nfs/dbraw/zinc/60/98/15/580609815.db2.gz JAOWYCDZNOVYIB-HOCLYGCPSA-N 2 2 325.416 1.926 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000783995560 580611160 /nfs/dbraw/zinc/61/11/60/580611160.db2.gz KRVISRZSNNTYNE-IRXDYDNUSA-N 2 2 345.491 1.501 20 0 EDADLP CCOC1CC(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000788859666 580731240 /nfs/dbraw/zinc/73/12/40/580731240.db2.gz IDEKFHUDSKBPKQ-IIIMJFFVSA-N 2 2 337.508 1.819 20 0 EDADLP CCOC1CC(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000788859666 580731241 /nfs/dbraw/zinc/73/12/41/580731241.db2.gz IDEKFHUDSKBPKQ-IIIMJFFVSA-N 2 2 337.508 1.819 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(F)(F)CC3)C2)CC1 ZINC000792953176 580831837 /nfs/dbraw/zinc/83/18/37/580831837.db2.gz NKTOCWPGDRYJRN-ZDUSSCGKSA-N 2 2 330.423 1.596 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(F)(F)CC3)C2)CC1 ZINC000792953176 580831838 /nfs/dbraw/zinc/83/18/38/580831838.db2.gz NKTOCWPGDRYJRN-ZDUSSCGKSA-N 2 2 330.423 1.596 20 0 EDADLP C[C@H]1CN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000794562177 580897861 /nfs/dbraw/zinc/89/78/61/580897861.db2.gz MGABMKVQCGBHCD-HNNXBMFYSA-N 2 2 326.485 1.175 20 0 EDADLP C[C@H]1CN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000794562177 580897862 /nfs/dbraw/zinc/89/78/62/580897862.db2.gz MGABMKVQCGBHCD-HNNXBMFYSA-N 2 2 326.485 1.175 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCCC4)C2)CC1 ZINC000799630229 581033163 /nfs/dbraw/zinc/03/31/63/581033163.db2.gz XOSIXLXBFUHHBF-AWEZNQCLSA-N 2 2 331.464 1.118 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn4c(n3)CCCC4)C2)CC1 ZINC000799630229 581033164 /nfs/dbraw/zinc/03/31/64/581033164.db2.gz XOSIXLXBFUHHBF-AWEZNQCLSA-N 2 2 331.464 1.118 20 0 EDADLP CN1C(=O)CN(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000799942079 581039387 /nfs/dbraw/zinc/03/93/87/581039387.db2.gz JWSZOUSJIZDAPD-CYBMUJFWSA-N 2 2 331.420 1.250 20 0 EDADLP CN1C(=O)CN(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000799942079 581039388 /nfs/dbraw/zinc/03/93/88/581039388.db2.gz JWSZOUSJIZDAPD-CYBMUJFWSA-N 2 2 331.420 1.250 20 0 EDADLP CN1C(=O)CN(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000799942080 581039444 /nfs/dbraw/zinc/03/94/44/581039444.db2.gz JWSZOUSJIZDAPD-ZDUSSCGKSA-N 2 2 331.420 1.250 20 0 EDADLP CN1C(=O)CN(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000799942080 581039445 /nfs/dbraw/zinc/03/94/45/581039445.db2.gz JWSZOUSJIZDAPD-ZDUSSCGKSA-N 2 2 331.420 1.250 20 0 EDADLP CC(C)(C)c1nc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000891815733 590633594 /nfs/dbraw/zinc/63/35/94/590633594.db2.gz USIIQOASTHXLOU-CYBMUJFWSA-N 2 2 334.468 1.807 20 0 EDADLP COCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)o1 ZINC000893113005 590669056 /nfs/dbraw/zinc/66/90/56/590669056.db2.gz GMCRVGAWPUBXLC-IAGOWNOFSA-N 2 2 338.448 1.772 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C(F)(F)F ZINC000891904928 590681051 /nfs/dbraw/zinc/68/10/51/590681051.db2.gz DDAWVCZPWUHBOS-UTLUCORTSA-N 2 2 331.342 1.046 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C(F)(F)F ZINC000891904928 590681054 /nfs/dbraw/zinc/68/10/54/590681054.db2.gz DDAWVCZPWUHBOS-UTLUCORTSA-N 2 2 331.342 1.046 20 0 EDADLP CN(C)c1cc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000893287323 590755108 /nfs/dbraw/zinc/75/51/08/590755108.db2.gz ZDWUQCAJNVVTAM-IBGZPJMESA-N 2 2 341.459 1.616 20 0 EDADLP CN(C)c1cc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000893287323 590755112 /nfs/dbraw/zinc/75/51/12/590755112.db2.gz ZDWUQCAJNVVTAM-IBGZPJMESA-N 2 2 341.459 1.616 20 0 EDADLP CN(C)c1cc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000893287323 590755115 /nfs/dbraw/zinc/75/51/15/590755115.db2.gz ZDWUQCAJNVVTAM-IBGZPJMESA-N 2 2 341.459 1.616 20 0 EDADLP CN(C)c1cc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000893287323 590755118 /nfs/dbraw/zinc/75/51/18/590755118.db2.gz ZDWUQCAJNVVTAM-IBGZPJMESA-N 2 2 341.459 1.616 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N[C@H]1CCC[NH2+]CC1 ZINC000892081989 590789247 /nfs/dbraw/zinc/78/92/47/590789247.db2.gz SXWHPUPCBGVNTI-HNNXBMFYSA-N 2 2 349.504 1.576 20 0 EDADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892157262 590829314 /nfs/dbraw/zinc/82/93/14/590829314.db2.gz WOBSDZUKGHEVIS-LSDHHAIUSA-N 2 2 349.385 1.921 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000893499806 590909826 /nfs/dbraw/zinc/90/98/26/590909826.db2.gz DUKXTFNUMPQINN-UHFFFAOYSA-N 2 2 341.419 1.442 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC000892282775 590912551 /nfs/dbraw/zinc/91/25/51/590912551.db2.gz NADXMZQJLQOIDY-KSSFIOAISA-N 2 2 346.479 1.904 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)cc1 ZINC000892305779 590927699 /nfs/dbraw/zinc/92/76/99/590927699.db2.gz LFAYNVVDZGGWBV-RYQLBKOJSA-N 2 2 346.475 1.245 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)cc1 ZINC000892305779 590927701 /nfs/dbraw/zinc/92/77/01/590927701.db2.gz LFAYNVVDZGGWBV-RYQLBKOJSA-N 2 2 346.475 1.245 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000840929093 590958017 /nfs/dbraw/zinc/95/80/17/590958017.db2.gz FKEQFOLQYBBSMF-UHFFFAOYSA-N 2 2 348.472 1.357 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000840875224 591002507 /nfs/dbraw/zinc/00/25/07/591002507.db2.gz KIAQMWMYKUAEMN-HNNXBMFYSA-N 2 2 334.420 1.327 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000892450030 591031858 /nfs/dbraw/zinc/03/18/58/591031858.db2.gz FBCQQJLMDDSXTJ-JCNLHEQBSA-N 2 2 331.464 1.426 20 0 EDADLP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893660386 591038066 /nfs/dbraw/zinc/03/80/66/591038066.db2.gz CHUSKTVUXDLNGB-JFDDCEBESA-N 2 2 341.496 1.892 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCCC3(CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000893667680 591040274 /nfs/dbraw/zinc/04/02/74/591040274.db2.gz CQZKZERUSSWJJV-OAHLLOKOSA-N 2 2 333.480 1.972 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCCC3(CC[NH+](C)CC3)C2)[nH+]cn1 ZINC000893667680 591040278 /nfs/dbraw/zinc/04/02/78/591040278.db2.gz CQZKZERUSSWJJV-OAHLLOKOSA-N 2 2 333.480 1.972 20 0 EDADLP [NH3+][C@@H]1CCCCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000891332714 591048288 /nfs/dbraw/zinc/04/82/88/591048288.db2.gz ICRJWDOGMOUYJW-OAHLLOKOSA-N 2 2 328.420 1.680 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCc1cccnc1-n1cc[nH+]c1)C2 ZINC000891345758 591052070 /nfs/dbraw/zinc/05/20/70/591052070.db2.gz YMBOKOFYCDQSCR-WMLDXEAASA-N 2 2 326.404 1.018 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891344881 591052157 /nfs/dbraw/zinc/05/21/57/591052157.db2.gz PSSOJHVLIMLVOV-RBVVOMGSSA-N 2 2 340.431 1.597 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891350653 591055291 /nfs/dbraw/zinc/05/52/91/591055291.db2.gz ULHUWKIOSUVUFN-JKSUJKDBSA-N 2 2 338.496 1.319 20 0 EDADLP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000891359564 591058936 /nfs/dbraw/zinc/05/89/36/591058936.db2.gz XGQHRGDBLBWSPP-UAGQMJEPSA-N 2 2 332.448 1.096 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@@H]1C(F)(F)F ZINC000891363132 591060763 /nfs/dbraw/zinc/06/07/63/591060763.db2.gz FGFYJVGQNQZMOB-RYUDHWBXSA-N 2 2 345.369 1.662 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000891473501 591083284 /nfs/dbraw/zinc/08/32/84/591083284.db2.gz XAAACMNJSPAWBS-CQSZACIVSA-N 2 2 326.485 1.175 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000891473501 591083289 /nfs/dbraw/zinc/08/32/89/591083289.db2.gz XAAACMNJSPAWBS-CQSZACIVSA-N 2 2 326.485 1.175 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000892604080 591090941 /nfs/dbraw/zinc/09/09/41/591090941.db2.gz XVAOQAKOENXBEF-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000892604080 591090945 /nfs/dbraw/zinc/09/09/45/591090945.db2.gz XVAOQAKOENXBEF-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000892615762 591097794 /nfs/dbraw/zinc/09/77/94/591097794.db2.gz QIOSVNQECPWMNK-MJGOQNOKSA-N 2 2 328.460 1.958 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000892615762 591097797 /nfs/dbraw/zinc/09/77/97/591097797.db2.gz QIOSVNQECPWMNK-MJGOQNOKSA-N 2 2 328.460 1.958 20 0 EDADLP C[C@H](NC(=O)NCC[C@H]([NH3+])Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000891519158 591104919 /nfs/dbraw/zinc/10/49/19/591104919.db2.gz XQIAMLABUQRHDQ-BQFCYCMXSA-N 2 2 348.491 1.355 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3(C[NH3+])CCCCC3)C2)CC1 ZINC000891561256 591126006 /nfs/dbraw/zinc/12/60/06/591126006.db2.gz VXZILEXDHIEMKA-HNNXBMFYSA-N 3 2 337.512 1.116 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3(C[NH3+])CCCCC3)C2)CC1 ZINC000891561256 591126007 /nfs/dbraw/zinc/12/60/07/591126007.db2.gz VXZILEXDHIEMKA-HNNXBMFYSA-N 3 2 337.512 1.116 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000891607073 591147429 /nfs/dbraw/zinc/14/74/29/591147429.db2.gz QNPKGOIXXVTJFN-LSDHHAIUSA-N 2 2 345.491 1.853 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000891607073 591147431 /nfs/dbraw/zinc/14/74/31/591147431.db2.gz QNPKGOIXXVTJFN-LSDHHAIUSA-N 2 2 345.491 1.853 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)[nH+]c12 ZINC000891626034 591156311 /nfs/dbraw/zinc/15/63/11/591156311.db2.gz BEKRSOJJFASULW-JKSUJKDBSA-N 2 2 327.432 1.721 20 0 EDADLP CC1(C)CC[N@H+](CCNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000892758340 591162878 /nfs/dbraw/zinc/16/28/78/591162878.db2.gz PLOXUKOZPAYHCG-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC1(C)CC[N@@H+](CCNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000892758340 591162880 /nfs/dbraw/zinc/16/28/80/591162880.db2.gz PLOXUKOZPAYHCG-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC1(C)CC[NH+](CCNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000892758340 591162882 /nfs/dbraw/zinc/16/28/82/591162882.db2.gz PLOXUKOZPAYHCG-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC1(C)CC[NH+](CCNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000892758340 591162885 /nfs/dbraw/zinc/16/28/85/591162885.db2.gz PLOXUKOZPAYHCG-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@]1(C)C[NH+]3CCC1CC3)n2C ZINC000892779161 591174431 /nfs/dbraw/zinc/17/44/31/591174431.db2.gz OGWQKOBAMIYAGB-GOSISDBHSA-N 2 2 342.447 1.248 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@]2([NH+](C)C)CCSC2)nc[nH+]1 ZINC000892797357 591181029 /nfs/dbraw/zinc/18/10/29/591181029.db2.gz RTTHLWUUIKGESZ-SWLSCSKDSA-N 2 2 325.482 1.509 20 0 EDADLP C[N@@H+]1CC[C@H](NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000892939566 591231327 /nfs/dbraw/zinc/23/13/27/591231327.db2.gz SLGMFIKOOFXNJE-HNNXBMFYSA-N 2 2 326.485 1.269 20 0 EDADLP C[N@H+]1CC[C@H](NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000892939566 591231329 /nfs/dbraw/zinc/23/13/29/591231329.db2.gz SLGMFIKOOFXNJE-HNNXBMFYSA-N 2 2 326.485 1.269 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C1C[NH+](C2CCOCC2)C1 ZINC000895627002 591234666 /nfs/dbraw/zinc/23/46/66/591234666.db2.gz UEKFWOLYONWCQJ-UHFFFAOYSA-N 2 2 327.388 1.317 20 0 EDADLP Fc1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(F)cn1 ZINC000895684534 591252427 /nfs/dbraw/zinc/25/24/27/591252427.db2.gz DPMSPZUZKYGBQC-OAHLLOKOSA-N 2 2 340.418 1.246 20 0 EDADLP C[C@@H](Cc1cccnc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021396 591257063 /nfs/dbraw/zinc/25/70/63/591257063.db2.gz FCNKSHWHAZGWHS-DOTOQJQBSA-N 2 2 345.491 1.480 20 0 EDADLP C[C@@H](Cc1cccnc1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021396 591257066 /nfs/dbraw/zinc/25/70/66/591257066.db2.gz FCNKSHWHAZGWHS-DOTOQJQBSA-N 2 2 345.491 1.480 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895742062 591262853 /nfs/dbraw/zinc/26/28/53/591262853.db2.gz WEETWODGGPLLEH-QGZVFWFLSA-N 2 2 344.459 1.409 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc[nH+]1 ZINC000894436313 591312315 /nfs/dbraw/zinc/31/23/15/591312315.db2.gz SCMNZDQLSPURKM-HZPDHXFCSA-N 2 2 349.479 1.351 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH+]cn1 ZINC000894436313 591312318 /nfs/dbraw/zinc/31/23/18/591312318.db2.gz SCMNZDQLSPURKM-HZPDHXFCSA-N 2 2 349.479 1.351 20 0 EDADLP COC(=O)[C@@H]1[C@H](CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771037 591411465 /nfs/dbraw/zinc/41/14/65/591411465.db2.gz VXOMYHJPAXCJLK-KKUMJFAQSA-N 2 2 345.434 1.141 20 0 EDADLP COC(=O)[C@@H]1[C@H](CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771037 591411467 /nfs/dbraw/zinc/41/14/67/591411467.db2.gz VXOMYHJPAXCJLK-KKUMJFAQSA-N 2 2 345.434 1.141 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccn4ccccc34)C2)CC1 ZINC000896325751 591419550 /nfs/dbraw/zinc/41/95/50/591419550.db2.gz SFTCMBNVHYCPMT-OAHLLOKOSA-N 2 2 326.444 1.838 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccn4ccccc34)C2)CC1 ZINC000896325751 591419552 /nfs/dbraw/zinc/41/95/52/591419552.db2.gz SFTCMBNVHYCPMT-OAHLLOKOSA-N 2 2 326.444 1.838 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898629784 591442214 /nfs/dbraw/zinc/44/22/14/591442214.db2.gz SHZLUVFJRYLHGN-HZPDHXFCSA-N 2 2 348.495 1.120 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c[nH+]1 ZINC000896375945 591443418 /nfs/dbraw/zinc/44/34/18/591443418.db2.gz BZWPKRCWMJQVPY-MRXNPFEDSA-N 2 2 334.464 1.686 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)n[nH]1 ZINC000909410396 591445371 /nfs/dbraw/zinc/44/53/71/591445371.db2.gz CRNYJQJMHHLUEY-ZWKOTPCHSA-N 2 2 339.443 1.963 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)n[nH]1 ZINC000909410396 591445374 /nfs/dbraw/zinc/44/53/74/591445374.db2.gz CRNYJQJMHHLUEY-ZWKOTPCHSA-N 2 2 339.443 1.963 20 0 EDADLP CO[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C[C@H]1O ZINC000894911182 591470211 /nfs/dbraw/zinc/47/02/11/591470211.db2.gz DHLDGEBBHWQPLZ-CHWSQXEVSA-N 2 2 344.358 1.261 20 0 EDADLP CO[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C[C@H]1O ZINC000894911182 591470213 /nfs/dbraw/zinc/47/02/13/591470213.db2.gz DHLDGEBBHWQPLZ-CHWSQXEVSA-N 2 2 344.358 1.261 20 0 EDADLP C[C@]1(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)COC(=O)N1 ZINC000896466899 591470750 /nfs/dbraw/zinc/47/07/50/591470750.db2.gz OKXGOODBDSCDHR-GOSISDBHSA-N 2 2 341.415 1.978 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896544176 591513224 /nfs/dbraw/zinc/51/32/24/591513224.db2.gz KICNFGGMGKSVCX-KSSFIOAISA-N 2 2 343.475 1.485 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896544176 591513226 /nfs/dbraw/zinc/51/32/26/591513226.db2.gz KICNFGGMGKSVCX-KSSFIOAISA-N 2 2 343.475 1.485 20 0 EDADLP CC[C@@H](CO)Nc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)nc[nH+]1 ZINC000895036509 591530868 /nfs/dbraw/zinc/53/08/68/591530868.db2.gz VRRGUORYXONJMT-HNNXBMFYSA-N 2 2 349.479 1.208 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000896839697 591628738 /nfs/dbraw/zinc/62/87/38/591628738.db2.gz CMVWJSBNDOCVII-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1nc(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c(Br)c(C)[nH+]1 ZINC000895245035 591677002 /nfs/dbraw/zinc/67/70/02/591677002.db2.gz CQKVCSLVYUWLDF-BXKDBHETSA-N 2 2 342.285 1.902 20 0 EDADLP Cc1nc(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c(Br)c(C)[nH+]1 ZINC000895245035 591677004 /nfs/dbraw/zinc/67/70/04/591677004.db2.gz CQKVCSLVYUWLDF-BXKDBHETSA-N 2 2 342.285 1.902 20 0 EDADLP O=S(=O)(CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)N1CCCC1 ZINC000897830594 591687356 /nfs/dbraw/zinc/68/73/56/591687356.db2.gz DEDWFCHQIXKTTL-UHFFFAOYSA-N 2 2 338.477 1.066 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3C(=O)NCC3(C)C)CC2)cc1 ZINC000895316792 591710299 /nfs/dbraw/zinc/71/02/99/591710299.db2.gz QQSCSBUBAVRWEW-QGZVFWFLSA-N 2 2 330.476 1.836 20 0 EDADLP CCc1cc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)no1 ZINC000897998466 591741077 /nfs/dbraw/zinc/74/10/77/591741077.db2.gz SLUPOIOGCOPVGP-UHFFFAOYSA-N 2 2 334.464 1.869 20 0 EDADLP CCc1cc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)no1 ZINC000897998466 591741081 /nfs/dbraw/zinc/74/10/81/591741081.db2.gz SLUPOIOGCOPVGP-UHFFFAOYSA-N 2 2 334.464 1.869 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000898010538 591745947 /nfs/dbraw/zinc/74/59/47/591745947.db2.gz CMCVTOZEQVKAIY-MRXNPFEDSA-N 2 2 349.479 1.359 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000898010538 591745950 /nfs/dbraw/zinc/74/59/50/591745950.db2.gz CMCVTOZEQVKAIY-MRXNPFEDSA-N 2 2 349.479 1.359 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)OCCO2 ZINC000895437768 591757924 /nfs/dbraw/zinc/75/79/24/591757924.db2.gz YQZCFODNRKJQSP-OAGGEKHMSA-N 2 2 328.428 1.463 20 0 EDADLP COc1cncc(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C ZINC000895553109 591799884 /nfs/dbraw/zinc/79/98/84/591799884.db2.gz YGBYFZLAUGJZLX-UHFFFAOYSA-N 2 2 346.475 1.704 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C[C@@H]1C ZINC000898186309 591827558 /nfs/dbraw/zinc/82/75/58/591827558.db2.gz NKWOETHRRSPHCM-VBQJREDUSA-N 2 2 349.479 1.358 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C[C@@H]1C ZINC000898186309 591827561 /nfs/dbraw/zinc/82/75/61/591827561.db2.gz NKWOETHRRSPHCM-VBQJREDUSA-N 2 2 349.479 1.358 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@@H]1C ZINC000898186309 591827568 /nfs/dbraw/zinc/82/75/68/591827568.db2.gz NKWOETHRRSPHCM-VBQJREDUSA-N 2 2 349.479 1.358 20 0 EDADLP CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2c[nH+]c3ccc(C)cn23)C1 ZINC000898355875 591887063 /nfs/dbraw/zinc/88/70/63/591887063.db2.gz DZBODSQERCKWOZ-UKRRQHHQSA-N 2 2 332.404 1.182 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900076007 591888704 /nfs/dbraw/zinc/88/87/04/591888704.db2.gz FOTRGUGRYVUIRV-MJGOQNOKSA-N 2 2 349.450 1.315 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900076007 591888707 /nfs/dbraw/zinc/88/87/07/591888707.db2.gz FOTRGUGRYVUIRV-MJGOQNOKSA-N 2 2 349.450 1.315 20 0 EDADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000900076007 591888710 /nfs/dbraw/zinc/88/87/10/591888710.db2.gz FOTRGUGRYVUIRV-MJGOQNOKSA-N 2 2 349.450 1.315 20 0 EDADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000900076007 591888712 /nfs/dbraw/zinc/88/87/12/591888712.db2.gz FOTRGUGRYVUIRV-MJGOQNOKSA-N 2 2 349.450 1.315 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(CCOC3CCSCC3)nn2)CC1 ZINC000899746012 591929930 /nfs/dbraw/zinc/92/99/30/591929930.db2.gz ZJDWJASPCRVQSL-UHFFFAOYSA-N 2 2 339.509 1.374 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900197986 591937425 /nfs/dbraw/zinc/93/74/25/591937425.db2.gz OOYVOKBSKILLJG-LJQANCHMSA-N 2 2 344.459 1.698 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900197986 591937428 /nfs/dbraw/zinc/93/74/28/591937428.db2.gz OOYVOKBSKILLJG-LJQANCHMSA-N 2 2 344.459 1.698 20 0 EDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC000900174152 591938018 /nfs/dbraw/zinc/93/80/18/591938018.db2.gz QKUNBQCYCBUEMN-UHFFFAOYSA-N 2 2 341.459 1.589 20 0 EDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000900174152 591938020 /nfs/dbraw/zinc/93/80/20/591938020.db2.gz QKUNBQCYCBUEMN-UHFFFAOYSA-N 2 2 341.459 1.589 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000900216576 591946751 /nfs/dbraw/zinc/94/67/51/591946751.db2.gz WOYLFMPKPJVTOT-OWCLPIDISA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000900216576 591946753 /nfs/dbraw/zinc/94/67/53/591946753.db2.gz WOYLFMPKPJVTOT-OWCLPIDISA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000900216576 591946756 /nfs/dbraw/zinc/94/67/56/591946756.db2.gz WOYLFMPKPJVTOT-OWCLPIDISA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000900216576 591946759 /nfs/dbraw/zinc/94/67/59/591946759.db2.gz WOYLFMPKPJVTOT-OWCLPIDISA-N 2 2 337.464 1.005 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000900339937 591988719 /nfs/dbraw/zinc/98/87/19/591988719.db2.gz UEWWXLJEBCBRNP-MRXNPFEDSA-N 3 2 331.464 1.645 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000900339937 591988723 /nfs/dbraw/zinc/98/87/23/591988723.db2.gz UEWWXLJEBCBRNP-MRXNPFEDSA-N 2 2 331.464 1.645 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000900449104 592020744 /nfs/dbraw/zinc/02/07/44/592020744.db2.gz PYOHSNCWLLQEBW-UHFFFAOYSA-N 2 2 338.415 1.967 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccn4nccc4n3)CC2)CC1 ZINC000900446042 592029367 /nfs/dbraw/zinc/02/93/67/592029367.db2.gz MBVNQLVDGCRPKF-UHFFFAOYSA-N 2 2 342.447 1.018 20 0 EDADLP Cc1cccc(OCCn2cc(C[NH2+]C3CC[NH+](C)CC3)nn2)c1 ZINC000900495009 592034012 /nfs/dbraw/zinc/03/40/12/592034012.db2.gz HDOITLYMCMIHBU-UHFFFAOYSA-N 2 2 329.448 1.849 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000900517804 592043403 /nfs/dbraw/zinc/04/34/03/592043403.db2.gz XQXXEFPOZRKZED-UHFFFAOYSA-N 2 2 333.480 1.252 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cn(C)nn1 ZINC000902747152 592056697 /nfs/dbraw/zinc/05/66/97/592056697.db2.gz CWPBTHQWVYZWKI-CQSZACIVSA-N 2 2 342.447 1.054 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900600097 592065160 /nfs/dbraw/zinc/06/51/60/592065160.db2.gz WITJWLPRWLDLHM-HZPDHXFCSA-N 2 2 331.464 1.081 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900600097 592065163 /nfs/dbraw/zinc/06/51/63/592065163.db2.gz WITJWLPRWLDLHM-HZPDHXFCSA-N 2 2 331.464 1.081 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1COc2ccccc2C1 ZINC000903065902 592112557 /nfs/dbraw/zinc/11/25/57/592112557.db2.gz ZIUIQRCJBHHNGP-UAGQMJEPSA-N 2 2 331.460 1.556 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1COc2ccccc2C1 ZINC000903065902 592112559 /nfs/dbraw/zinc/11/25/59/592112559.db2.gz ZIUIQRCJBHHNGP-UAGQMJEPSA-N 2 2 331.460 1.556 20 0 EDADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903073963 592119607 /nfs/dbraw/zinc/11/96/07/592119607.db2.gz SSGCXNNKMZGSPW-IHRRRGAJSA-N 2 2 344.415 1.589 20 0 EDADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000903234883 592146121 /nfs/dbraw/zinc/14/61/21/592146121.db2.gz QVNCWEMSWHRYPX-NCOADZHNSA-N 2 2 343.537 1.701 20 0 EDADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000903234883 592146122 /nfs/dbraw/zinc/14/61/22/592146122.db2.gz QVNCWEMSWHRYPX-NCOADZHNSA-N 2 2 343.537 1.701 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000903468894 592174762 /nfs/dbraw/zinc/17/47/62/592174762.db2.gz PCPHQDQYJAUDHX-GUYCJALGSA-N 2 2 347.459 1.583 20 0 EDADLP COC(=O)[C@@H](c1ccsc1)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492453 592184891 /nfs/dbraw/zinc/18/48/91/592184891.db2.gz DXBJLWFVVUZCKQ-VLXAULBPSA-N 2 2 338.429 1.175 20 0 EDADLP COC(=O)[C@@H](c1ccsc1)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492453 592184892 /nfs/dbraw/zinc/18/48/92/592184892.db2.gz DXBJLWFVVUZCKQ-VLXAULBPSA-N 2 2 338.429 1.175 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000903565049 592212134 /nfs/dbraw/zinc/21/21/34/592212134.db2.gz DQPKJPFFOANLHD-GXTWGEPZSA-N 2 2 329.238 1.833 20 0 EDADLP C[NH2+]CCN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000903572787 592225945 /nfs/dbraw/zinc/22/59/45/592225945.db2.gz FHBOMNHYIQIQPH-UHFFFAOYSA-N 2 2 348.491 1.387 20 0 EDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904326940 592231583 /nfs/dbraw/zinc/23/15/83/592231583.db2.gz UAZAZYAQWPYBAV-IRXDYDNUSA-N 2 2 338.540 1.769 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(N)nn3)c2)CCO1 ZINC000904367031 592238779 /nfs/dbraw/zinc/23/87/79/592238779.db2.gz UOZNEZCYQDBEIF-CQSZACIVSA-N 2 2 327.432 1.569 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(N)nn3)c2)CCO1 ZINC000904367031 592238788 /nfs/dbraw/zinc/23/87/88/592238788.db2.gz UOZNEZCYQDBEIF-CQSZACIVSA-N 2 2 327.432 1.569 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1CN(C)CC[NH+](C)C1 ZINC000906657731 592240286 /nfs/dbraw/zinc/24/02/86/592240286.db2.gz WHOYVOVIPLLELP-QGZVFWFLSA-N 2 2 344.503 1.213 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1CN(C)CC[NH+](C)C1 ZINC000906657731 592240288 /nfs/dbraw/zinc/24/02/88/592240288.db2.gz WHOYVOVIPLLELP-QGZVFWFLSA-N 2 2 344.503 1.213 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906657731 592240290 /nfs/dbraw/zinc/24/02/90/592240290.db2.gz WHOYVOVIPLLELP-QGZVFWFLSA-N 2 2 344.503 1.213 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906657731 592240292 /nfs/dbraw/zinc/24/02/92/592240292.db2.gz WHOYVOVIPLLELP-QGZVFWFLSA-N 2 2 344.503 1.213 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(CC[NH3+])CC2)CC1 ZINC000904363753 592240878 /nfs/dbraw/zinc/24/08/78/592240878.db2.gz BSNGVPJDGVWNKC-INIZCTEOSA-N 3 2 331.508 1.620 20 0 EDADLP Cc1cccc2ncc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n21 ZINC000906661985 592244892 /nfs/dbraw/zinc/24/48/92/592244892.db2.gz TWFVIUIUUVJIEY-OAHLLOKOSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1cccc2ncc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n21 ZINC000906661985 592244894 /nfs/dbraw/zinc/24/48/94/592244894.db2.gz TWFVIUIUUVJIEY-OAHLLOKOSA-N 2 2 341.459 1.541 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C[C@H]1C(F)(F)F ZINC000904384634 592247478 /nfs/dbraw/zinc/24/74/78/592247478.db2.gz KTPLBAJLULXLNS-WCQYABFASA-N 3 2 332.370 1.258 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C[C@H]1C(F)(F)F ZINC000904384634 592247480 /nfs/dbraw/zinc/24/74/80/592247480.db2.gz KTPLBAJLULXLNS-WCQYABFASA-N 3 2 332.370 1.258 20 0 EDADLP Cn1cc[nH+]c1CN(C[C@@H]1CCCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000903746067 592293854 /nfs/dbraw/zinc/29/38/54/592293854.db2.gz VNKIDDNVUYZACB-IAGOWNOFSA-N 3 2 331.508 1.754 20 0 EDADLP CCO[C@H]1C[NH2+][C@H](c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)C1 ZINC000904614637 592296093 /nfs/dbraw/zinc/29/60/93/592296093.db2.gz GLORQNMMPVHECE-YPMHNXCESA-N 2 2 326.360 1.757 20 0 EDADLP c1ccc(NC[C@@H]2CC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)[nH+]c1 ZINC000903742627 592304765 /nfs/dbraw/zinc/30/47/65/592304765.db2.gz YHPDKALWIJQRLO-DLBZAZTESA-N 3 2 330.476 1.974 20 0 EDADLP c1ccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)[nH+]c1 ZINC000903742627 592304769 /nfs/dbraw/zinc/30/47/69/592304769.db2.gz YHPDKALWIJQRLO-DLBZAZTESA-N 3 2 330.476 1.974 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000901275625 592310946 /nfs/dbraw/zinc/31/09/46/592310946.db2.gz ZWBRNFJSFPHXOT-WMLDXEAASA-N 2 2 345.491 1.530 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790664 592316365 /nfs/dbraw/zinc/31/63/65/592316365.db2.gz UQCWUYNEGVEHLO-UHFFFAOYSA-N 2 2 349.523 1.775 20 0 EDADLP O=c1cc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)nc2sccn21 ZINC000903814685 592324443 /nfs/dbraw/zinc/32/44/43/592324443.db2.gz GPPKKTQRFQXPPD-UHFFFAOYSA-N 2 2 334.445 1.101 20 0 EDADLP O=c1cc(C[N@H+]2CC[NH2+]CCC23CCOCC3)nc2sccn21 ZINC000903814685 592324447 /nfs/dbraw/zinc/32/44/47/592324447.db2.gz GPPKKTQRFQXPPD-UHFFFAOYSA-N 2 2 334.445 1.101 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000904919689 592345464 /nfs/dbraw/zinc/34/54/64/592345464.db2.gz YRDSESDXVJRVQC-GOSISDBHSA-N 2 2 332.448 1.530 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856817 592348149 /nfs/dbraw/zinc/34/81/49/592348149.db2.gz RWFXSVFENHZDFB-BEFAXECRSA-N 2 2 349.450 1.866 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856817 592348150 /nfs/dbraw/zinc/34/81/50/592348150.db2.gz RWFXSVFENHZDFB-BEFAXECRSA-N 2 2 349.450 1.866 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000906799813 592350541 /nfs/dbraw/zinc/35/05/41/592350541.db2.gz WLSALCUEROWJLC-CVEARBPZSA-N 2 2 334.464 1.033 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000906799813 592350546 /nfs/dbraw/zinc/35/05/46/592350546.db2.gz WLSALCUEROWJLC-CVEARBPZSA-N 2 2 334.464 1.033 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2coc(C[NH+]3CC[C@H](OC)C3)n2)[C@@H](C)C1 ZINC000908143655 592351513 /nfs/dbraw/zinc/35/15/13/592351513.db2.gz RMJKJIUCRBZANN-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2coc(C[NH+]3CC[C@H](OC)C3)n2)[C@@H](C)C1 ZINC000908143655 592351519 /nfs/dbraw/zinc/35/15/19/592351519.db2.gz RMJKJIUCRBZANN-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[NH+]1CCN(C(=O)c2coc(C[N@@H+]3CC[C@H](OC)C3)n2)[C@@H](C)C1 ZINC000908143655 592351524 /nfs/dbraw/zinc/35/15/24/592351524.db2.gz RMJKJIUCRBZANN-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[NH+]1CCN(C(=O)c2coc(C[N@H+]3CC[C@H](OC)C3)n2)[C@@H](C)C1 ZINC000908143655 592351530 /nfs/dbraw/zinc/35/15/30/592351530.db2.gz RMJKJIUCRBZANN-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP Fc1ccccc1N1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903872056 592354374 /nfs/dbraw/zinc/35/43/74/592354374.db2.gz CBWSXHXDMSMZNS-HNNXBMFYSA-N 2 2 344.438 1.664 20 0 EDADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000903878471 592359087 /nfs/dbraw/zinc/35/90/87/592359087.db2.gz VLGISWOXQXXECZ-CQSZACIVSA-N 2 2 329.404 1.563 20 0 EDADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000903878471 592359093 /nfs/dbraw/zinc/35/90/93/592359093.db2.gz VLGISWOXQXXECZ-CQSZACIVSA-N 2 2 329.404 1.563 20 0 EDADLP COc1ccc2c(c1)C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000903886320 592363851 /nfs/dbraw/zinc/36/38/51/592363851.db2.gz PEJLGTGQSQVLMK-MRXNPFEDSA-N 2 2 327.432 1.770 20 0 EDADLP COc1ccc2c(c1)C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC2 ZINC000903886320 592363853 /nfs/dbraw/zinc/36/38/53/592363853.db2.gz PEJLGTGQSQVLMK-MRXNPFEDSA-N 2 2 327.432 1.770 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899368 592370658 /nfs/dbraw/zinc/37/06/58/592370658.db2.gz TWXFICOQDLVLEL-WMZOPIPTSA-N 3 2 330.480 1.515 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899368 592370662 /nfs/dbraw/zinc/37/06/62/592370662.db2.gz TWXFICOQDLVLEL-WMZOPIPTSA-N 3 2 330.480 1.515 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cnn1C ZINC000903909052 592373354 /nfs/dbraw/zinc/37/33/54/592373354.db2.gz RIGJYXIIHCKAJM-HNNXBMFYSA-N 2 2 335.496 1.177 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cnn1C ZINC000903909052 592373359 /nfs/dbraw/zinc/37/33/59/592373359.db2.gz RIGJYXIIHCKAJM-HNNXBMFYSA-N 2 2 335.496 1.177 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000903909507 592374584 /nfs/dbraw/zinc/37/45/84/592374584.db2.gz VODQPOVNNNGBOY-RHSMWYFYSA-N 3 2 328.420 1.251 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000903909507 592374587 /nfs/dbraw/zinc/37/45/87/592374587.db2.gz VODQPOVNNNGBOY-RHSMWYFYSA-N 3 2 328.420 1.251 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903912271 592375033 /nfs/dbraw/zinc/37/50/33/592375033.db2.gz CJMGPNFTAQGAFH-GJZGRUSLSA-N 3 2 329.452 1.316 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903912271 592375038 /nfs/dbraw/zinc/37/50/38/592375038.db2.gz CJMGPNFTAQGAFH-GJZGRUSLSA-N 3 2 329.452 1.316 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905047858 592378437 /nfs/dbraw/zinc/37/84/37/592378437.db2.gz HLWSEWYTSYPMRQ-QGZVFWFLSA-N 2 2 333.432 1.227 20 0 EDADLP COc1ccccc1C1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903932281 592383769 /nfs/dbraw/zinc/38/37/69/592383769.db2.gz QGJXDTLQEQTYDH-CQSZACIVSA-N 2 2 327.432 1.990 20 0 EDADLP CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903935715 592386801 /nfs/dbraw/zinc/38/68/01/592386801.db2.gz UAHARHVPWZCMSB-HNNXBMFYSA-N 2 2 341.463 1.674 20 0 EDADLP CC(C)c1ncc2c(n1)CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903935715 592386806 /nfs/dbraw/zinc/38/68/06/592386806.db2.gz UAHARHVPWZCMSB-HNNXBMFYSA-N 2 2 341.463 1.674 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCOc3cc(F)ccc3C2)cnn1C ZINC000903935652 592386815 /nfs/dbraw/zinc/38/68/15/592386815.db2.gz RSIBLVYJLZNPBK-AWEZNQCLSA-N 2 2 332.423 1.880 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCOc3cc(F)ccc3C2)cnn1C ZINC000903935652 592386819 /nfs/dbraw/zinc/38/68/19/592386819.db2.gz RSIBLVYJLZNPBK-AWEZNQCLSA-N 2 2 332.423 1.880 20 0 EDADLP Cc1nn(C)c2ncc(C[NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)cc12 ZINC000903974117 592397501 /nfs/dbraw/zinc/39/75/01/592397501.db2.gz MFCHRMPCMFUKQF-OAHLLOKOSA-N 2 2 329.448 1.525 20 0 EDADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908251615 592407339 /nfs/dbraw/zinc/40/73/39/592407339.db2.gz IIINPAQDDFPVGN-CRAIPNDOSA-N 2 2 334.464 1.803 20 0 EDADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908251615 592407343 /nfs/dbraw/zinc/40/73/43/592407343.db2.gz IIINPAQDDFPVGN-CRAIPNDOSA-N 2 2 334.464 1.803 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)n1C ZINC000905110895 592411692 /nfs/dbraw/zinc/41/16/92/592411692.db2.gz POVSVKLRWAXNSR-OAHLLOKOSA-N 2 2 343.431 1.497 20 0 EDADLP C[NH+](C)[C@]1(C[NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)CCSC1 ZINC000905149808 592439082 /nfs/dbraw/zinc/43/90/82/592439082.db2.gz VIWBQSUOVKDGAL-KURKYZTESA-N 2 2 338.517 1.888 20 0 EDADLP CN1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901730850 592446982 /nfs/dbraw/zinc/44/69/82/592446982.db2.gz XZZALXFKDPOSOK-NXEZZACHSA-N 2 2 327.226 1.171 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)COc1ccc2cc[nH]c2c1 ZINC000905216269 592470469 /nfs/dbraw/zinc/47/04/69/592470469.db2.gz CYIICCRMFGKRGA-HUUCEWRRSA-N 2 2 326.400 1.709 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000904304025 592472298 /nfs/dbraw/zinc/47/22/98/592472298.db2.gz PEUVLUUWAPXXEN-QFBILLFUSA-N 2 2 344.459 1.864 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904316709 592475519 /nfs/dbraw/zinc/47/55/19/592475519.db2.gz QIZVCEIBIATALH-GOSISDBHSA-N 2 2 339.480 1.110 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904316709 592475522 /nfs/dbraw/zinc/47/55/22/592475522.db2.gz QIZVCEIBIATALH-GOSISDBHSA-N 2 2 339.480 1.110 20 0 EDADLP C[NH+]1CCC2(CCC(NC(=O)/C=C\C[NH+]3CCOCC3)CC2)CC1 ZINC000908494725 592509144 /nfs/dbraw/zinc/50/91/44/592509144.db2.gz LGAYMTRKXGAEDR-IHWYPQMZSA-N 2 2 335.492 1.646 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905380524 592512320 /nfs/dbraw/zinc/51/23/20/592512320.db2.gz GRAMCLMRKGGQTP-WBVHZDCISA-N 2 2 327.419 1.408 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905366789 592516702 /nfs/dbraw/zinc/51/67/02/592516702.db2.gz VHVOKAUBESPVMW-IAGOWNOFSA-N 2 2 347.459 1.344 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905366789 592516703 /nfs/dbraw/zinc/51/67/03/592516703.db2.gz VHVOKAUBESPVMW-IAGOWNOFSA-N 2 2 347.459 1.344 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905398793 592520499 /nfs/dbraw/zinc/52/04/99/592520499.db2.gz GTOFJMCCPCOJFY-GXSJLCMTSA-N 2 2 334.329 1.370 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905398793 592520501 /nfs/dbraw/zinc/52/05/01/592520501.db2.gz GTOFJMCCPCOJFY-GXSJLCMTSA-N 2 2 334.329 1.370 20 0 EDADLP CON(C)C(=O)CC[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000905441595 592535465 /nfs/dbraw/zinc/53/54/65/592535465.db2.gz UXGBGXZYDFVFAB-KRWDZBQOSA-N 2 2 332.448 1.793 20 0 EDADLP CON(C)C(=O)CC[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000905441595 592535466 /nfs/dbraw/zinc/53/54/66/592535466.db2.gz UXGBGXZYDFVFAB-KRWDZBQOSA-N 2 2 332.448 1.793 20 0 EDADLP CC(C)O[C@@]1(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CCOC1 ZINC000905555847 592565079 /nfs/dbraw/zinc/56/50/79/592565079.db2.gz GXPYPRJZDUNKBB-VQTJNVASSA-N 2 2 348.487 1.579 20 0 EDADLP CC(C)O[C@@]1(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CCOC1 ZINC000905555847 592565081 /nfs/dbraw/zinc/56/50/81/592565081.db2.gz GXPYPRJZDUNKBB-VQTJNVASSA-N 2 2 348.487 1.579 20 0 EDADLP C[C@@](O)(C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)C(F)(F)C(F)(F)F ZINC000905620550 592588271 /nfs/dbraw/zinc/58/82/71/592588271.db2.gz TWSPLGKYFUPYSC-NWDGAFQWSA-N 2 2 346.340 1.778 20 0 EDADLP C[C@@](O)(C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)C(F)(F)C(F)(F)F ZINC000905620550 592588272 /nfs/dbraw/zinc/58/82/72/592588272.db2.gz TWSPLGKYFUPYSC-NWDGAFQWSA-N 2 2 346.340 1.778 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)CC1(O)CCCCC1 ZINC000905619446 592596021 /nfs/dbraw/zinc/59/60/21/592596021.db2.gz MUZMHVVZYOLCHR-DLBZAZTESA-N 2 2 326.481 1.276 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)CC1(O)CCCCC1 ZINC000905619446 592596023 /nfs/dbraw/zinc/59/60/23/592596023.db2.gz MUZMHVVZYOLCHR-DLBZAZTESA-N 2 2 326.481 1.276 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)C3(C[NH3+])CCCCC3)nc[nH+]2)C1 ZINC000905657106 592598426 /nfs/dbraw/zinc/59/84/26/592598426.db2.gz CSVQWXZQNXRTLE-GJZGRUSLSA-N 2 2 333.480 1.782 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(N(C)C)cc[nH+]2)C1 ZINC000907325295 592603450 /nfs/dbraw/zinc/60/34/50/592603450.db2.gz RCXPQNOGJAXHNH-ZDUSSCGKSA-N 2 2 334.420 1.361 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(N(C)C)cc[nH+]2)C1 ZINC000907325295 592603453 /nfs/dbraw/zinc/60/34/53/592603453.db2.gz RCXPQNOGJAXHNH-ZDUSSCGKSA-N 2 2 334.420 1.361 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]CC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000905680489 592610300 /nfs/dbraw/zinc/61/03/00/592610300.db2.gz WWNPVPMHMDXRGU-UHFFFAOYSA-N 2 2 326.481 1.792 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]CC[N@H+]2CCC(C)(C)C2)CC1 ZINC000905680489 592610302 /nfs/dbraw/zinc/61/03/02/592610302.db2.gz WWNPVPMHMDXRGU-UHFFFAOYSA-N 2 2 326.481 1.792 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)C1 ZINC000905680744 592610732 /nfs/dbraw/zinc/61/07/32/592610732.db2.gz JJLGZDRXCXVIBG-MDYRTPRTSA-N 2 2 336.439 1.967 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)C1 ZINC000905680744 592610733 /nfs/dbraw/zinc/61/07/33/592610733.db2.gz JJLGZDRXCXVIBG-MDYRTPRTSA-N 2 2 336.439 1.967 20 0 EDADLP [NH3+][C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[C@H]1C(F)(F)F ZINC000905721189 592628688 /nfs/dbraw/zinc/62/86/88/592628688.db2.gz ZANKXCWTEUFNOL-IJLUTSLNSA-N 2 2 345.369 1.154 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000907571421 592716047 /nfs/dbraw/zinc/71/60/47/592716047.db2.gz ZNZCWZJJUIWQJT-QGZVFWFLSA-N 2 2 347.507 1.320 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1(C)C ZINC000911577418 592953293 /nfs/dbraw/zinc/95/32/93/592953293.db2.gz BNHPJPIIXQJDCB-SJORKVTESA-N 2 2 348.491 1.279 20 0 EDADLP CCC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911204812 592954021 /nfs/dbraw/zinc/95/40/21/592954021.db2.gz HTTIRMQTFCXPNB-GDBMZVCRSA-N 2 2 338.496 1.001 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=S)NCCC[NH+]1CCOCC1 ZINC000735244748 592979624 /nfs/dbraw/zinc/97/96/24/592979624.db2.gz BLIJWNMDTIVYEF-HOTGVXAUSA-N 2 2 340.537 1.142 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=S)NCCC[NH+]1CCOCC1 ZINC000735244748 592979625 /nfs/dbraw/zinc/97/96/25/592979625.db2.gz BLIJWNMDTIVYEF-HOTGVXAUSA-N 2 2 340.537 1.142 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000911706590 592991823 /nfs/dbraw/zinc/99/18/23/592991823.db2.gz SSOBUZSBAWOITQ-MBYGNEARSA-N 2 2 330.354 1.855 20 0 EDADLP CCC[NH+]1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736478645 593011379 /nfs/dbraw/zinc/01/13/79/593011379.db2.gz BTIUTDDFUZRXKI-UHFFFAOYSA-N 2 2 340.435 1.478 20 0 EDADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000839149282 593264909 /nfs/dbraw/zinc/26/49/09/593264909.db2.gz PTGJNWUPWXPNDB-VQIMIIECSA-N 2 2 328.460 1.842 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)[C@H](C2CC2)C12CCOCC2 ZINC000840005376 593340968 /nfs/dbraw/zinc/34/09/68/593340968.db2.gz CJXIOPYIQKFINC-FUHWJXTLSA-N 2 2 347.503 1.779 20 0 EDADLP O=C1N(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)[C@H](C2CC2)C12CCOCC2 ZINC000840005376 593340970 /nfs/dbraw/zinc/34/09/70/593340970.db2.gz CJXIOPYIQKFINC-FUHWJXTLSA-N 2 2 347.503 1.779 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](F)C(F)(F)F ZINC000810300592 593392315 /nfs/dbraw/zinc/39/23/15/593392315.db2.gz ZJIHCDITYQNCQP-NWDGAFQWSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](F)C(F)(F)F ZINC000810300592 593392318 /nfs/dbraw/zinc/39/23/18/593392318.db2.gz ZJIHCDITYQNCQP-NWDGAFQWSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810300592 593392320 /nfs/dbraw/zinc/39/23/20/593392320.db2.gz ZJIHCDITYQNCQP-NWDGAFQWSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810300592 593392323 /nfs/dbraw/zinc/39/23/23/593392323.db2.gz ZJIHCDITYQNCQP-NWDGAFQWSA-N 2 2 327.366 1.761 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000840029591 593393899 /nfs/dbraw/zinc/39/38/99/593393899.db2.gz FUKWGRAWIQUUDW-HKUYNNGSSA-N 2 2 348.535 1.693 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000840029591 593393902 /nfs/dbraw/zinc/39/39/02/593393902.db2.gz FUKWGRAWIQUUDW-HKUYNNGSSA-N 2 2 348.535 1.693 20 0 EDADLP CC1(C)C(=O)N(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@@H]1[C@H]1CCCO1 ZINC000811771266 593480929 /nfs/dbraw/zinc/48/09/29/593480929.db2.gz ZSXYOJWTKIQVQN-BRWVUGGUSA-N 2 2 345.443 1.908 20 0 EDADLP CC1(C)C(=O)N(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@@H]1[C@H]1CCCO1 ZINC000811771266 593480930 /nfs/dbraw/zinc/48/09/30/593480930.db2.gz ZSXYOJWTKIQVQN-BRWVUGGUSA-N 2 2 345.443 1.908 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)n1C ZINC000813338189 593527653 /nfs/dbraw/zinc/52/76/53/593527653.db2.gz ZTEMBXXUKFVDRC-HIFRSBDPSA-N 2 2 332.452 1.165 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)n1C ZINC000813338189 593527654 /nfs/dbraw/zinc/52/76/54/593527654.db2.gz ZTEMBXXUKFVDRC-HIFRSBDPSA-N 2 2 332.452 1.165 20 0 EDADLP CN(Cc1cnn(C)c1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000816610642 593534632 /nfs/dbraw/zinc/53/46/32/593534632.db2.gz SBLHWDLVPSZZPQ-HNNXBMFYSA-N 2 2 325.888 1.674 20 0 EDADLP CN(Cc1cnn(C)c1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000816610642 593534634 /nfs/dbraw/zinc/53/46/34/593534634.db2.gz SBLHWDLVPSZZPQ-HNNXBMFYSA-N 2 2 325.888 1.674 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C(=O)[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000817371737 593596934 /nfs/dbraw/zinc/59/69/34/593596934.db2.gz BCEXAFPZFMKWIQ-MSOLQXFVSA-N 2 2 334.508 1.447 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C(=O)[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000817371737 593596935 /nfs/dbraw/zinc/59/69/35/593596935.db2.gz BCEXAFPZFMKWIQ-MSOLQXFVSA-N 2 2 334.508 1.447 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3C(=O)[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000817371737 593596936 /nfs/dbraw/zinc/59/69/36/593596936.db2.gz BCEXAFPZFMKWIQ-MSOLQXFVSA-N 2 2 334.508 1.447 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3C(=O)[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000817371737 593596937 /nfs/dbraw/zinc/59/69/37/593596937.db2.gz BCEXAFPZFMKWIQ-MSOLQXFVSA-N 2 2 334.508 1.447 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NOC/C=C/Cl)CC2)CC1 ZINC000817783891 593631826 /nfs/dbraw/zinc/63/18/26/593631826.db2.gz FCCBUAPCJPTKPH-XVNBXDOJSA-N 2 2 344.887 1.872 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NOC/C=C/Cl)CC2)CC1 ZINC000817783891 593631828 /nfs/dbraw/zinc/63/18/28/593631828.db2.gz FCCBUAPCJPTKPH-XVNBXDOJSA-N 2 2 344.887 1.872 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@@H](O)c2cnn(C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817897641 593646794 /nfs/dbraw/zinc/64/67/94/593646794.db2.gz ULBUZVYARPLYFD-KSZLIROESA-N 2 2 330.432 1.545 20 0 EDADLP CC(C)OC(=O)N1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000817910917 593647782 /nfs/dbraw/zinc/64/77/82/593647782.db2.gz DVIBLKFUWBJYLK-JKSUJKDBSA-N 2 2 325.453 1.352 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000817913553 593648086 /nfs/dbraw/zinc/64/80/86/593648086.db2.gz JDYKQHIYKIVKKQ-HZPDHXFCSA-N 3 2 325.497 1.772 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931350 593649778 /nfs/dbraw/zinc/64/97/78/593649778.db2.gz QWLGFGOVANBRSZ-DFBGVHRSSA-N 2 2 343.265 1.839 20 0 EDADLP C[C@H]([NH2+]CC[NH2+]C1CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817952634 593651479 /nfs/dbraw/zinc/65/14/79/593651479.db2.gz GSHNEOMUYIVCIH-MAUKXSAKSA-N 2 2 347.459 1.754 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820138304 593794497 /nfs/dbraw/zinc/79/44/97/593794497.db2.gz TXACKFTYZMKVLL-INIZCTEOSA-N 2 2 330.436 1.363 20 0 EDADLP O[C@@H](C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823672319 593830196 /nfs/dbraw/zinc/83/01/96/593830196.db2.gz COIMPCTUUDBDAU-INIZCTEOSA-N 2 2 339.403 1.503 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000822781071 594099611 /nfs/dbraw/zinc/09/96/11/594099611.db2.gz ZNZIQJNIAXWFDJ-GFCCVEGCSA-N 2 2 329.360 1.570 20 0 EDADLP CC(C)Cc1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000824958461 594105302 /nfs/dbraw/zinc/10/53/02/594105302.db2.gz ZKLYHAXXBRIZIA-UHFFFAOYSA-N 2 2 326.510 1.955 20 0 EDADLP CC(C)Cc1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000824958461 594105304 /nfs/dbraw/zinc/10/53/04/594105304.db2.gz ZKLYHAXXBRIZIA-UHFFFAOYSA-N 2 2 326.510 1.955 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000825369586 594174470 /nfs/dbraw/zinc/17/44/70/594174470.db2.gz XUUGIAVFMVCYLF-GOSISDBHSA-N 2 2 331.460 1.408 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000825369586 594174471 /nfs/dbraw/zinc/17/44/71/594174471.db2.gz XUUGIAVFMVCYLF-GOSISDBHSA-N 2 2 331.460 1.408 20 0 EDADLP O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000826024176 594308910 /nfs/dbraw/zinc/30/89/10/594308910.db2.gz UQZOENWTFPBBAW-CQSZACIVSA-N 2 2 327.388 1.541 20 0 EDADLP O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000826024176 594308913 /nfs/dbraw/zinc/30/89/13/594308913.db2.gz UQZOENWTFPBBAW-CQSZACIVSA-N 2 2 327.388 1.541 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000826606191 594539013 /nfs/dbraw/zinc/53/90/13/594539013.db2.gz YDVRNKGCJTVFJW-GOSISDBHSA-N 2 2 342.443 1.599 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000826606191 594539016 /nfs/dbraw/zinc/53/90/16/594539016.db2.gz YDVRNKGCJTVFJW-GOSISDBHSA-N 2 2 342.443 1.599 20 0 EDADLP [NH3+]CCCCCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000831094913 594555246 /nfs/dbraw/zinc/55/52/46/594555246.db2.gz QJFTVMPZBMXFBR-SFHVURJKSA-N 2 2 348.491 1.878 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2)[C@@H](C[NH3+])C1 ZINC000841125753 594855391 /nfs/dbraw/zinc/85/53/91/594855391.db2.gz BNCLLTZOVRGSOT-INIZCTEOSA-N 2 2 349.504 1.346 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2)[C@@H](C[NH3+])C1 ZINC000841125753 594855394 /nfs/dbraw/zinc/85/53/94/594855394.db2.gz BNCLLTZOVRGSOT-INIZCTEOSA-N 2 2 349.504 1.346 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000841667887 594932799 /nfs/dbraw/zinc/93/27/99/594932799.db2.gz GVYNLDQAPXEUQR-OAHLLOKOSA-N 2 2 331.420 1.427 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841865000 594967631 /nfs/dbraw/zinc/96/76/31/594967631.db2.gz XNGFCQURGZFULX-QAPCUYQASA-N 2 2 329.448 1.445 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000836524336 594972260 /nfs/dbraw/zinc/97/22/60/594972260.db2.gz UXSGHWGLIRWEBS-IMJJTQAJSA-N 2 2 329.448 1.986 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000836524336 594972262 /nfs/dbraw/zinc/97/22/62/594972262.db2.gz UXSGHWGLIRWEBS-IMJJTQAJSA-N 2 2 329.448 1.986 20 0 EDADLP C[NH2+]C1CC[NH+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1 ZINC000843351155 595083923 /nfs/dbraw/zinc/08/39/23/595083923.db2.gz GVPMYSRQJLIBMF-UHFFFAOYSA-N 2 2 329.400 1.935 20 0 EDADLP C[C@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000843354462 595084147 /nfs/dbraw/zinc/08/41/47/595084147.db2.gz HWUNPCRFDCJDMX-GFCCVEGCSA-N 2 2 340.855 1.892 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843365747 595089141 /nfs/dbraw/zinc/08/91/41/595089141.db2.gz QFQXYEWVKXLPGO-GJZGRUSLSA-N 2 2 346.475 1.680 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843365747 595089143 /nfs/dbraw/zinc/08/91/43/595089143.db2.gz QFQXYEWVKXLPGO-GJZGRUSLSA-N 2 2 346.475 1.680 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(N2CCNC2=O)cc1 ZINC000842743941 595186761 /nfs/dbraw/zinc/18/67/61/595186761.db2.gz MISSZSSZNCVFTK-CYBMUJFWSA-N 2 2 342.447 1.867 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H](O)c1c(F)cccc1F ZINC000843093625 595286575 /nfs/dbraw/zinc/28/65/75/595286575.db2.gz FYFBCIWBFXMHBU-NUTKFTJISA-N 2 2 328.403 1.822 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H](O)c1c(F)cccc1F ZINC000843093625 595286577 /nfs/dbraw/zinc/28/65/77/595286577.db2.gz FYFBCIWBFXMHBU-NUTKFTJISA-N 2 2 328.403 1.822 20 0 EDADLP O=C(CO[C@@H]1CCC[NH2+]C1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000844177108 595292978 /nfs/dbraw/zinc/29/29/78/595292978.db2.gz BUORRYNGLZTFRE-QGZVFWFLSA-N 2 2 333.432 1.226 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000844188563 595296976 /nfs/dbraw/zinc/29/69/76/595296976.db2.gz VVSDAIJKBXLGHK-UHFFFAOYSA-N 2 2 337.414 1.671 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000844188563 595296977 /nfs/dbraw/zinc/29/69/77/595296977.db2.gz VVSDAIJKBXLGHK-UHFFFAOYSA-N 2 2 337.414 1.671 20 0 EDADLP O=C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccc(F)c(F)c1 ZINC000848513912 595400986 /nfs/dbraw/zinc/40/09/86/595400986.db2.gz ISNRWASNTOTWML-AWEZNQCLSA-N 2 2 339.386 1.746 20 0 EDADLP CC(C)c1ccccc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000848537418 595403750 /nfs/dbraw/zinc/40/37/50/595403750.db2.gz HNTKOOXDJYNABT-SFHVURJKSA-N 2 2 345.487 1.833 20 0 EDADLP COC(=O)N1CCC([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000848545979 595404262 /nfs/dbraw/zinc/40/42/62/595404262.db2.gz PDJDMLPAQHCBSD-PBHICJAKSA-N 2 2 339.480 1.696 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000844901474 595410564 /nfs/dbraw/zinc/41/05/64/595410564.db2.gz FSGDSGRDHJAFEJ-KURKYZTESA-N 3 2 341.459 1.986 20 0 EDADLP C[C@H]1CN(C(=[NH2+])NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000849094514 595480641 /nfs/dbraw/zinc/48/06/41/595480641.db2.gz MDQKYGGANLVDRO-RDJZCZTQSA-N 2 2 332.448 1.132 20 0 EDADLP C[C@H]1CN(C(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000849094514 595480644 /nfs/dbraw/zinc/48/06/44/595480644.db2.gz MDQKYGGANLVDRO-RDJZCZTQSA-N 2 2 332.448 1.132 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000849280356 595500295 /nfs/dbraw/zinc/50/02/95/595500295.db2.gz CWXYDUIYEVBIFV-RBSFLKMASA-N 2 2 328.526 1.044 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000849280356 595500296 /nfs/dbraw/zinc/50/02/96/595500296.db2.gz CWXYDUIYEVBIFV-RBSFLKMASA-N 2 2 328.526 1.044 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000849280356 595500297 /nfs/dbraw/zinc/50/02/97/595500297.db2.gz CWXYDUIYEVBIFV-RBSFLKMASA-N 2 2 328.526 1.044 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000849280356 595500298 /nfs/dbraw/zinc/50/02/98/595500298.db2.gz CWXYDUIYEVBIFV-RBSFLKMASA-N 2 2 328.526 1.044 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000852862441 595583142 /nfs/dbraw/zinc/58/31/42/595583142.db2.gz DXZYEHOZHWYQTO-DLBZAZTESA-N 2 2 341.496 1.091 20 0 EDADLP C[C@@H]1CCc2nc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cn2C1 ZINC000857927063 595655241 /nfs/dbraw/zinc/65/52/41/595655241.db2.gz YEBYBOJZBBVCQG-CABCVRRESA-N 2 2 345.491 1.364 20 0 EDADLP C[C@@H]1CCc2nc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cn2C1 ZINC000857927063 595655244 /nfs/dbraw/zinc/65/52/44/595655244.db2.gz YEBYBOJZBBVCQG-CABCVRRESA-N 2 2 345.491 1.364 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000853103794 595665734 /nfs/dbraw/zinc/66/57/34/595665734.db2.gz PKJQAWRLFGZUNQ-ICSRJNTNSA-N 2 2 341.455 1.996 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000853103794 595665735 /nfs/dbraw/zinc/66/57/35/595665735.db2.gz PKJQAWRLFGZUNQ-ICSRJNTNSA-N 2 2 341.455 1.996 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C2OCCO2)cc1 ZINC000855417694 595706719 /nfs/dbraw/zinc/70/67/19/595706719.db2.gz NDTRZMDZHSPUPW-UHFFFAOYSA-N 2 2 335.448 1.345 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C2OCCO2)cc1 ZINC000855417694 595706722 /nfs/dbraw/zinc/70/67/22/595706722.db2.gz NDTRZMDZHSPUPW-UHFFFAOYSA-N 2 2 335.448 1.345 20 0 EDADLP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850119305 595744414 /nfs/dbraw/zinc/74/44/14/595744414.db2.gz NDPBUYSRSSCCSO-QXAKKESOSA-N 2 2 332.444 1.807 20 0 EDADLP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000850119305 595744415 /nfs/dbraw/zinc/74/44/15/595744415.db2.gz NDPBUYSRSSCCSO-QXAKKESOSA-N 2 2 332.444 1.807 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)n1C ZINC000850154122 595756556 /nfs/dbraw/zinc/75/65/56/595756556.db2.gz RRUPTUPMVLGRPS-CQSZACIVSA-N 2 2 337.807 1.976 20 0 EDADLP Cn1c[nH+]cc1CCON=C(N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000853685643 595855352 /nfs/dbraw/zinc/85/53/52/595855352.db2.gz MIBCVKASQMCQPR-QGZVFWFLSA-N 2 2 343.431 1.362 20 0 EDADLP Cn1c[nH+]cc1CCON=C(N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000853685643 595855356 /nfs/dbraw/zinc/85/53/56/595855356.db2.gz MIBCVKASQMCQPR-QGZVFWFLSA-N 2 2 343.431 1.362 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000851655573 595869738 /nfs/dbraw/zinc/86/97/38/595869738.db2.gz WYWQGDUXPVYLGC-SWLSCSKDSA-N 2 2 331.420 1.425 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1COC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000861035430 595872380 /nfs/dbraw/zinc/87/23/80/595872380.db2.gz DLPHIYWCWGTEII-HNNXBMFYSA-N 2 2 330.388 1.535 20 0 EDADLP COCC[N@H+]1CCC[C@H]1COC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000861035430 595872385 /nfs/dbraw/zinc/87/23/85/595872385.db2.gz DLPHIYWCWGTEII-HNNXBMFYSA-N 2 2 330.388 1.535 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nnc(C)o3)C2)ccn1 ZINC000856584876 596023195 /nfs/dbraw/zinc/02/31/95/596023195.db2.gz TZUZWIQWNNHEJE-INIZCTEOSA-N 2 2 331.420 1.878 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nnc(C)o3)C2)ccn1 ZINC000856584876 596023199 /nfs/dbraw/zinc/02/31/99/596023199.db2.gz TZUZWIQWNNHEJE-INIZCTEOSA-N 2 2 331.420 1.878 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nnc(C)o3)C2)ccn1 ZINC000856584876 596023204 /nfs/dbraw/zinc/02/32/04/596023204.db2.gz TZUZWIQWNNHEJE-INIZCTEOSA-N 2 2 331.420 1.878 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nnc(C)o3)C2)ccn1 ZINC000856584876 596023209 /nfs/dbraw/zinc/02/32/09/596023209.db2.gz TZUZWIQWNNHEJE-INIZCTEOSA-N 2 2 331.420 1.878 20 0 EDADLP CN(C(=O)c1cc(C=O)ccc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000859333359 596054214 /nfs/dbraw/zinc/05/42/14/596054214.db2.gz LZDMPTAQWFGEIK-MRXNPFEDSA-N 2 2 347.434 1.879 20 0 EDADLP CN(C(=O)c1cc(C=O)ccc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000859333359 596054218 /nfs/dbraw/zinc/05/42/18/596054218.db2.gz LZDMPTAQWFGEIK-MRXNPFEDSA-N 2 2 347.434 1.879 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[N@@H+]1C ZINC000123233193 596299927 /nfs/dbraw/zinc/29/99/27/596299927.db2.gz COWZOJWVYVYWBD-CHWSQXEVSA-N 2 2 329.466 1.444 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[N@H+]1C ZINC000123233193 596299930 /nfs/dbraw/zinc/29/99/30/596299930.db2.gz COWZOJWVYVYWBD-CHWSQXEVSA-N 2 2 329.466 1.444 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[NH+]1C ZINC000123233193 596299935 /nfs/dbraw/zinc/29/99/35/596299935.db2.gz COWZOJWVYVYWBD-CHWSQXEVSA-N 2 2 329.466 1.444 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[NH+]1C ZINC000123233193 596299936 /nfs/dbraw/zinc/29/99/36/596299936.db2.gz COWZOJWVYVYWBD-CHWSQXEVSA-N 2 2 329.466 1.444 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000866708334 596303208 /nfs/dbraw/zinc/30/32/08/596303208.db2.gz MUQKNYZFWHUCJY-KMUNFCNLSA-N 2 2 339.798 1.846 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000866708334 596303211 /nfs/dbraw/zinc/30/32/11/596303211.db2.gz MUQKNYZFWHUCJY-KMUNFCNLSA-N 2 2 339.798 1.846 20 0 EDADLP CCOC1CC(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000870666902 596316123 /nfs/dbraw/zinc/31/61/23/596316123.db2.gz MLIFDWOXCRLZTQ-UHFFFAOYSA-N 2 2 332.448 1.977 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000870855462 596378466 /nfs/dbraw/zinc/37/84/66/596378466.db2.gz SMOSFYKUPCVZAS-UHFFFAOYSA-N 2 2 343.471 1.742 20 0 EDADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000867470636 596384936 /nfs/dbraw/zinc/38/49/36/596384936.db2.gz RSOCYJDHTBVQEM-OSAUGMIZSA-N 2 2 331.460 1.682 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3CC[NH2+]CC3)C2)c1 ZINC000870977715 596424744 /nfs/dbraw/zinc/42/47/44/596424744.db2.gz LCWHDZQDLRFWII-SFHVURJKSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C3CC[NH2+]CC3)C2)c1 ZINC000870977715 596424747 /nfs/dbraw/zinc/42/47/47/596424747.db2.gz LCWHDZQDLRFWII-SFHVURJKSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CC[NH2+]C(C)C)C2)c1 ZINC000870978597 596425563 /nfs/dbraw/zinc/42/55/63/596425563.db2.gz WTFXISFXDINTFJ-GOSISDBHSA-N 2 2 333.476 1.700 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CC[NH2+]C(C)C)C2)c1 ZINC000870978597 596425565 /nfs/dbraw/zinc/42/55/65/596425565.db2.gz WTFXISFXDINTFJ-GOSISDBHSA-N 2 2 333.476 1.700 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000870979173 596426970 /nfs/dbraw/zinc/42/69/70/596426970.db2.gz HOYFNQNOHADFNZ-AEFFLSMTSA-N 2 2 339.443 1.724 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000870979173 596426972 /nfs/dbraw/zinc/42/69/72/596426972.db2.gz HOYFNQNOHADFNZ-AEFFLSMTSA-N 2 2 339.443 1.724 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000870983624 596429187 /nfs/dbraw/zinc/42/91/87/596429187.db2.gz YBGGZCPCVIOYFT-GOSISDBHSA-N 2 2 330.476 1.233 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864982519 596434673 /nfs/dbraw/zinc/43/46/73/596434673.db2.gz SVZRMXYGVFKZBY-SDKBWNRFSA-N 2 2 337.508 1.748 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)CC(F)(F)C[NH3+])cc2F)CC1 ZINC000871012494 596438196 /nfs/dbraw/zinc/43/81/96/596438196.db2.gz WJGGPTZUHJPWQW-UHFFFAOYSA-N 2 2 344.381 1.890 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000871281106 596520620 /nfs/dbraw/zinc/52/06/20/596520620.db2.gz QZCOOCRCEXRMIY-KRWDZBQOSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000871281106 596520621 /nfs/dbraw/zinc/52/06/21/596520621.db2.gz QZCOOCRCEXRMIY-KRWDZBQOSA-N 2 2 342.443 1.668 20 0 EDADLP CCCNc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc[nH+]1 ZINC000865507847 596594164 /nfs/dbraw/zinc/59/41/64/596594164.db2.gz BCSWTVLPENFBOE-UHFFFAOYSA-N 2 2 332.452 1.043 20 0 EDADLP CCCNc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH+]cn1 ZINC000865507847 596594167 /nfs/dbraw/zinc/59/41/67/596594167.db2.gz BCSWTVLPENFBOE-UHFFFAOYSA-N 2 2 332.452 1.043 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865566668 596613518 /nfs/dbraw/zinc/61/35/18/596613518.db2.gz MUEIKSCDDBMXLS-QGZVFWFLSA-N 2 2 341.459 1.982 20 0 EDADLP CC(C)(C)c1noc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)n1 ZINC000863550318 596615330 /nfs/dbraw/zinc/61/53/30/596615330.db2.gz UIEAGUUGDBFZLX-OLZOCXBDSA-N 2 2 349.435 1.124 20 0 EDADLP CCCCc1noc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)n1 ZINC000863550105 596615437 /nfs/dbraw/zinc/61/54/37/596615437.db2.gz NTOAHAMMSSZHKB-KGLIPLIRSA-N 2 2 349.435 1.169 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCN1Cc1ccccc1 ZINC000863553923 596616136 /nfs/dbraw/zinc/61/61/36/596616136.db2.gz MRIXSKRNBJTXNH-ROUUACIJSA-N 2 2 331.460 1.224 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865686629 596650568 /nfs/dbraw/zinc/65/05/68/596650568.db2.gz GEHVDTQADDZRJY-CQSZACIVSA-N 2 2 333.423 1.144 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865686629 596650571 /nfs/dbraw/zinc/65/05/71/596650571.db2.gz GEHVDTQADDZRJY-CQSZACIVSA-N 2 2 333.423 1.144 20 0 EDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865699129 596653437 /nfs/dbraw/zinc/65/34/37/596653437.db2.gz UEUJNMGDWKRUHU-QLBOMPFWSA-N 2 2 337.508 1.892 20 0 EDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865699129 596653440 /nfs/dbraw/zinc/65/34/40/596653440.db2.gz UEUJNMGDWKRUHU-QLBOMPFWSA-N 2 2 337.508 1.892 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3[C@H]3CCCO3)C2)CC1 ZINC000865749554 596669319 /nfs/dbraw/zinc/66/93/19/596669319.db2.gz FEQKWPUEPARJIW-XJKSGUPXSA-N 2 2 347.463 1.160 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3[C@H]3CCCO3)C2)CC1 ZINC000865749554 596669322 /nfs/dbraw/zinc/66/93/22/596669322.db2.gz FEQKWPUEPARJIW-XJKSGUPXSA-N 2 2 347.463 1.160 20 0 EDADLP CN1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)Cc2ccc[nH+]c21 ZINC000868069989 596675608 /nfs/dbraw/zinc/67/56/08/596675608.db2.gz XYWQPPYMOJODRL-UHFFFAOYSA-N 2 2 343.475 1.917 20 0 EDADLP C[C@@H]1OCC[C@@H]1CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000871729985 596680349 /nfs/dbraw/zinc/68/03/49/596680349.db2.gz LKNXHIWBCZYENV-GOEBONIOSA-N 2 2 347.459 1.915 20 0 EDADLP C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000868285943 596765903 /nfs/dbraw/zinc/76/59/03/596765903.db2.gz KTZGBMKUUAAZIE-MHAAMQRSSA-N 2 2 340.512 1.658 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)cn21 ZINC000868288173 596768403 /nfs/dbraw/zinc/76/84/03/596768403.db2.gz ZRBYJPFVIAKULC-ZBFHGGJFSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)cn21 ZINC000868288173 596768404 /nfs/dbraw/zinc/76/84/04/596768404.db2.gz ZRBYJPFVIAKULC-ZBFHGGJFSA-N 2 2 327.432 1.878 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC[NH2+]2)c1 ZINC000870152831 596776428 /nfs/dbraw/zinc/77/64/28/596776428.db2.gz QBOHVCURRLVDQD-CRAIPNDOSA-N 2 2 347.459 1.136 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000866266325 596841931 /nfs/dbraw/zinc/84/19/31/596841931.db2.gz GGCLMXHLBGCFAY-ONEGZZNKSA-N 2 2 346.431 1.014 20 0 EDADLP C[NH+](C)CCN(Cc1cccs1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000866438870 596887211 /nfs/dbraw/zinc/88/72/11/596887211.db2.gz ODGQBLPBDULUGW-UTCJRWHESA-N 2 2 337.489 1.527 20 0 EDADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000864425446 596889093 /nfs/dbraw/zinc/88/90/93/596889093.db2.gz FQQPIOLDFIKBHA-UHFFFAOYSA-N 2 2 340.512 1.328 20 0 EDADLP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1nc2n(c1=O)CCCC2 ZINC000872744201 597055398 /nfs/dbraw/zinc/05/53/98/597055398.db2.gz QXTPNEANDRSWPZ-UHFFFAOYSA-N 2 2 335.496 1.638 20 0 EDADLP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1nc2n(c1=O)CCCC2 ZINC000872744201 597055401 /nfs/dbraw/zinc/05/54/01/597055401.db2.gz QXTPNEANDRSWPZ-UHFFFAOYSA-N 2 2 335.496 1.638 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000874431476 597075980 /nfs/dbraw/zinc/07/59/80/597075980.db2.gz OACOWIONZVDAIG-IHRRRGAJSA-N 2 2 338.477 1.158 20 0 EDADLP CN(C(=O)c1c(F)cncc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874459485 597089157 /nfs/dbraw/zinc/08/91/57/597089157.db2.gz LUSIFZZCTWZCTB-CYBMUJFWSA-N 2 2 338.402 1.600 20 0 EDADLP CN(C(=O)c1c(F)cncc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874459485 597089160 /nfs/dbraw/zinc/08/91/60/597089160.db2.gz LUSIFZZCTWZCTB-CYBMUJFWSA-N 2 2 338.402 1.600 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000876206125 597136253 /nfs/dbraw/zinc/13/62/53/597136253.db2.gz QKDZODDYWAZNDS-FUHWJXTLSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000876206125 597136255 /nfs/dbraw/zinc/13/62/55/597136255.db2.gz QKDZODDYWAZNDS-FUHWJXTLSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000876206125 597136256 /nfs/dbraw/zinc/13/62/56/597136256.db2.gz QKDZODDYWAZNDS-FUHWJXTLSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000876206125 597136258 /nfs/dbraw/zinc/13/62/58/597136258.db2.gz QKDZODDYWAZNDS-FUHWJXTLSA-N 2 2 346.475 1.583 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000873260994 597241966 /nfs/dbraw/zinc/24/19/66/597241966.db2.gz AKLGSYOBOPNEQP-YOEHRIQHSA-N 2 2 332.448 1.068 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000875072830 597270635 /nfs/dbraw/zinc/27/06/35/597270635.db2.gz CGHXJFNOKPOQAZ-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000875072830 597270639 /nfs/dbraw/zinc/27/06/39/597270639.db2.gz CGHXJFNOKPOQAZ-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000875072830 597270640 /nfs/dbraw/zinc/27/06/40/597270640.db2.gz CGHXJFNOKPOQAZ-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCCCCn1cc[nH+]c1 ZINC000875133358 597295489 /nfs/dbraw/zinc/29/54/89/597295489.db2.gz MEFYSOUVTIAQHT-UHFFFAOYSA-N 2 2 349.479 1.417 20 0 EDADLP [NH3+]C[C@@H]1[C@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1(F)F ZINC000876756632 597324590 /nfs/dbraw/zinc/32/45/90/597324590.db2.gz UXIZVGXTAUKNCN-UKRRQHHQSA-N 2 2 338.402 1.918 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000875195762 597324683 /nfs/dbraw/zinc/32/46/83/597324683.db2.gz UTEBLDWGJNZWLB-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000875195762 597324688 /nfs/dbraw/zinc/32/46/88/597324688.db2.gz UTEBLDWGJNZWLB-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876897127 597375875 /nfs/dbraw/zinc/37/58/75/597375875.db2.gz PVECKKZGXLHOTO-CQSZACIVSA-N 2 2 325.478 1.688 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876897127 597375878 /nfs/dbraw/zinc/37/58/78/597375878.db2.gz PVECKKZGXLHOTO-CQSZACIVSA-N 2 2 325.478 1.688 20 0 EDADLP O=S1(=O)CCC(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000877089346 597429030 /nfs/dbraw/zinc/42/90/30/597429030.db2.gz MVLSKDSFUVISHZ-DLBZAZTESA-N 2 2 344.521 1.169 20 0 EDADLP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000877390392 597508052 /nfs/dbraw/zinc/50/80/52/597508052.db2.gz JPOUJVRFEVXGNH-SCTDSRPQSA-N 2 2 329.444 1.288 20 0 EDADLP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000877390392 597508054 /nfs/dbraw/zinc/50/80/54/597508054.db2.gz JPOUJVRFEVXGNH-SCTDSRPQSA-N 2 2 329.444 1.288 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000877438179 597515582 /nfs/dbraw/zinc/51/55/82/597515582.db2.gz JRADVEGJSYILRO-IBGZPJMESA-N 2 2 346.519 1.953 20 0 EDADLP Cn1ncc2cc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)cnc21 ZINC000877655705 597545454 /nfs/dbraw/zinc/54/54/54/597545454.db2.gz ILUIRJVQMMHXTE-UHFFFAOYSA-N 2 2 329.448 1.655 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@H](O)C2CCCC2)CC1 ZINC000877777867 597555532 /nfs/dbraw/zinc/55/55/32/597555532.db2.gz HDBSZRVFYXOFQG-KRWDZBQOSA-N 2 2 326.481 1.935 20 0 EDADLP C[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578499 597640706 /nfs/dbraw/zinc/64/07/06/597640706.db2.gz TXGKMNBOGZNOIJ-OUUBHVDSSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578499 597640707 /nfs/dbraw/zinc/64/07/07/597640707.db2.gz TXGKMNBOGZNOIJ-OUUBHVDSSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578499 597640709 /nfs/dbraw/zinc/64/07/09/597640709.db2.gz TXGKMNBOGZNOIJ-OUUBHVDSSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578499 597640710 /nfs/dbraw/zinc/64/07/10/597640710.db2.gz TXGKMNBOGZNOIJ-OUUBHVDSSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578498 597640785 /nfs/dbraw/zinc/64/07/85/597640785.db2.gz TXGKMNBOGZNOIJ-OBKDMQGPSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578498 597640786 /nfs/dbraw/zinc/64/07/86/597640786.db2.gz TXGKMNBOGZNOIJ-OBKDMQGPSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578498 597640787 /nfs/dbraw/zinc/64/07/87/597640787.db2.gz TXGKMNBOGZNOIJ-OBKDMQGPSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578498 597640788 /nfs/dbraw/zinc/64/07/88/597640788.db2.gz TXGKMNBOGZNOIJ-OBKDMQGPSA-N 3 2 334.552 1.817 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)n1 ZINC000878808004 597718694 /nfs/dbraw/zinc/71/86/94/597718694.db2.gz KKHAMEZTEIAPGU-INIZCTEOSA-N 2 2 342.447 1.753 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000878808004 597718696 /nfs/dbraw/zinc/71/86/96/597718696.db2.gz KKHAMEZTEIAPGU-INIZCTEOSA-N 2 2 342.447 1.753 20 0 EDADLP CC(C)[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000881785188 597722634 /nfs/dbraw/zinc/72/26/34/597722634.db2.gz CWNJXAWHCJWRFA-MRXNPFEDSA-N 2 2 342.509 1.559 20 0 EDADLP CSc1nccnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000878823913 597724259 /nfs/dbraw/zinc/72/42/59/597724259.db2.gz LVMAJDULJAYXHY-LBPRGKRZSA-N 2 2 335.477 1.097 20 0 EDADLP CSc1nccnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000878823913 597724261 /nfs/dbraw/zinc/72/42/61/597724261.db2.gz LVMAJDULJAYXHY-LBPRGKRZSA-N 2 2 335.477 1.097 20 0 EDADLP O=C1CCC2=C(CC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000878884314 597746099 /nfs/dbraw/zinc/74/60/99/597746099.db2.gz CCWUAWJAGWTHBJ-FQEVSTJZSA-N 2 2 341.455 1.493 20 0 EDADLP O=C1CCC2=C(CC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000878884314 597746102 /nfs/dbraw/zinc/74/61/02/597746102.db2.gz CCWUAWJAGWTHBJ-FQEVSTJZSA-N 2 2 341.455 1.493 20 0 EDADLP O=C1CCC2=C(CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)N1 ZINC000878884314 597746103 /nfs/dbraw/zinc/74/61/03/597746103.db2.gz CCWUAWJAGWTHBJ-FQEVSTJZSA-N 2 2 341.455 1.493 20 0 EDADLP O=C1CCC2=C(CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)N1 ZINC000878884314 597746105 /nfs/dbraw/zinc/74/61/05/597746105.db2.gz CCWUAWJAGWTHBJ-FQEVSTJZSA-N 2 2 341.455 1.493 20 0 EDADLP NC(=O)[C@@H](F)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000879040713 597796878 /nfs/dbraw/zinc/79/68/78/597796878.db2.gz GIISQXZUODHCGT-HKUYNNGSSA-N 2 2 349.450 1.159 20 0 EDADLP NC(=O)[C@@H](F)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000879040713 597796879 /nfs/dbraw/zinc/79/68/79/597796879.db2.gz GIISQXZUODHCGT-HKUYNNGSSA-N 2 2 349.450 1.159 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C[C@@H](C)O1 ZINC000880264319 597887396 /nfs/dbraw/zinc/88/73/96/597887396.db2.gz UFNIGBXVKSYCHF-ARFHVFGLSA-N 2 2 332.448 1.228 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C[C@@H](C)O1 ZINC000880264319 597887398 /nfs/dbraw/zinc/88/73/98/597887398.db2.gz UFNIGBXVKSYCHF-ARFHVFGLSA-N 2 2 332.448 1.228 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)C1 ZINC000882330708 597936308 /nfs/dbraw/zinc/93/63/08/597936308.db2.gz WMRYCCUPKYIGQJ-MRXNPFEDSA-N 2 2 341.496 1.057 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)C1 ZINC000882330708 597936309 /nfs/dbraw/zinc/93/63/09/597936309.db2.gz WMRYCCUPKYIGQJ-MRXNPFEDSA-N 2 2 341.496 1.057 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1 ZINC000884212468 598030907 /nfs/dbraw/zinc/03/09/07/598030907.db2.gz GIBNTCGZSFOXSM-GJZGRUSLSA-N 2 2 335.448 1.124 20 0 EDADLP Cc1cccc(NCCNC(=O)NCCc2cn3c([nH+]2)CCCC3)[nH+]1 ZINC000914168288 695255074 /nfs/dbraw/zinc/25/50/74/695255074.db2.gz IFTVWJPJIGEOPM-UHFFFAOYSA-N 2 2 342.447 1.877 20 0 EDADLP C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000925406402 695330733 /nfs/dbraw/zinc/33/07/33/695330733.db2.gz SINYLVPXWNNPTK-QGZVFWFLSA-N 2 2 332.448 1.387 20 0 EDADLP C[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000925406402 695330737 /nfs/dbraw/zinc/33/07/37/695330737.db2.gz SINYLVPXWNNPTK-QGZVFWFLSA-N 2 2 332.448 1.387 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000939856806 699995746 /nfs/dbraw/zinc/99/57/46/699995746.db2.gz QIZYSRWMWBXJLL-GUYCJALGSA-N 2 2 348.397 1.841 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000939857357 699996559 /nfs/dbraw/zinc/99/65/59/699996559.db2.gz RYZCOEKDZRAALI-BLLLJJGKSA-N 2 2 334.370 1.798 20 0 EDADLP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cs1 ZINC000939857363 699996573 /nfs/dbraw/zinc/99/65/73/699996573.db2.gz SBJDVXIIELOIEL-SWLSCSKDSA-N 2 2 333.461 1.327 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)on1 ZINC000992828194 695385863 /nfs/dbraw/zinc/38/58/63/695385863.db2.gz BTANLNNPDYNPLL-KBRIMQKVSA-N 2 2 343.431 1.666 20 0 EDADLP CO[C@H](C[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001031051110 695386580 /nfs/dbraw/zinc/38/65/80/695386580.db2.gz MQEODCWDGBHORB-LJQANCHMSA-N 2 2 345.487 1.906 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccccn3)[C@H]2C1 ZINC000992857641 695417485 /nfs/dbraw/zinc/41/74/85/695417485.db2.gz KBXAJPMLTZURPK-XIRDDKMYSA-N 2 2 339.443 1.764 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)on1 ZINC000992924644 695456591 /nfs/dbraw/zinc/45/65/91/695456591.db2.gz MMDYFKZPRAIGDU-HYVNUMGLSA-N 2 2 343.431 1.596 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]23)cc[nH+]1 ZINC001060560330 696002935 /nfs/dbraw/zinc/00/29/35/696002935.db2.gz SVKWSWMDVFWDRW-HYVNUMGLSA-N 2 2 343.475 1.918 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@H]23)cc[nH+]1 ZINC001060560330 696002937 /nfs/dbraw/zinc/00/29/37/696002937.db2.gz SVKWSWMDVFWDRW-HYVNUMGLSA-N 2 2 343.475 1.918 20 0 EDADLP Cc1cc(C)cc(OCC[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001031263117 696074303 /nfs/dbraw/zinc/07/43/03/696074303.db2.gz FDMLTOFXUTWCBO-UHFFFAOYSA-N 2 2 343.471 1.578 20 0 EDADLP 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CCc1cnc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)o1 ZINC000939745557 699911325 /nfs/dbraw/zinc/91/13/25/699911325.db2.gz DFHWHVJUEOFYSL-WFASDCNBSA-N 2 2 331.420 1.379 20 0 EDADLP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC000940159271 700291607 /nfs/dbraw/zinc/29/16/07/700291607.db2.gz GOLZPVVOCYGRDX-HUUCEWRRSA-N 2 2 342.447 1.418 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940229104 700394613 /nfs/dbraw/zinc/39/46/13/700394613.db2.gz ZYXPBXQNOLEHTM-UHFFFAOYSA-N 2 2 347.488 1.980 20 0 EDADLP C[C@@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031876335 700406519 /nfs/dbraw/zinc/40/65/19/700406519.db2.gz SOTLYHZUGAEFTK-PBHICJAKSA-N 2 2 341.471 1.283 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2nncn2C)CC1)n1cc[nH+]c1 ZINC000940357607 700527898 /nfs/dbraw/zinc/52/78/98/700527898.db2.gz JSWOEPCSVCJCRO-AWEZNQCLSA-N 2 2 345.451 1.134 20 0 EDADLP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000940441675 700643244 /nfs/dbraw/zinc/64/32/44/700643244.db2.gz NVPLOXZYDRXMMY-UHFFFAOYSA-N 2 2 346.435 1.377 20 0 EDADLP Cc1ncsc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995168905 701667433 /nfs/dbraw/zinc/66/74/33/701667433.db2.gz OEMLAPLKWBENNT-KGLIPLIRSA-N 2 2 347.488 1.802 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3nccn3C)CC2(C)C)CC[N@@H+]1C ZINC000940757087 700892060 /nfs/dbraw/zinc/89/20/60/700892060.db2.gz RSCDBKNSJQTKCS-BZUAXINKSA-N 2 2 347.507 1.477 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3nccn3C)CC2(C)C)CC[N@H+]1C ZINC000940757087 700892062 /nfs/dbraw/zinc/89/20/62/700892062.db2.gz RSCDBKNSJQTKCS-BZUAXINKSA-N 2 2 347.507 1.477 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)CC2(C)C)CC[NH+]1C ZINC000940757087 700892063 /nfs/dbraw/zinc/89/20/63/700892063.db2.gz RSCDBKNSJQTKCS-BZUAXINKSA-N 2 2 347.507 1.477 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)CC2(C)C)CC[NH+]1C ZINC000940757087 700892064 /nfs/dbraw/zinc/89/20/64/700892064.db2.gz RSCDBKNSJQTKCS-BZUAXINKSA-N 2 2 347.507 1.477 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)ncn1 ZINC000995106901 700936364 /nfs/dbraw/zinc/93/63/64/700936364.db2.gz NIFRLSFUTVKQER-ZIAGYGMSSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)CC1(C)C ZINC000940892421 700967591 /nfs/dbraw/zinc/96/75/91/700967591.db2.gz CMPUHYZCNNZORA-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)CC1(C)C ZINC000940892421 700967592 /nfs/dbraw/zinc/96/75/92/700967592.db2.gz CMPUHYZCNNZORA-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP CC(C)n1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995110033 700979445 /nfs/dbraw/zinc/97/94/45/700979445.db2.gz YFTFBYLXERWEFS-GJZGRUSLSA-N 2 2 344.463 1.804 20 0 EDADLP C[C@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920499 701045965 /nfs/dbraw/zinc/04/59/65/701045965.db2.gz ICLTVCAJHXLWPO-YOEHRIQHSA-N 2 2 341.471 1.426 20 0 EDADLP C[C@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920499 701045966 /nfs/dbraw/zinc/04/59/66/701045966.db2.gz ICLTVCAJHXLWPO-YOEHRIQHSA-N 2 2 341.471 1.426 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000995170688 701685458 /nfs/dbraw/zinc/68/54/58/701685458.db2.gz UYPYVHBQPSAVPV-HOCLYGCPSA-N 2 2 327.432 1.432 20 0 EDADLP Cc1cncc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)c1 ZINC001031920324 701057614 /nfs/dbraw/zinc/05/76/14/701057614.db2.gz ZPVPOFCGSPRSTQ-SFHVURJKSA-N 2 2 346.475 1.047 20 0 EDADLP Cc1cncc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)c1 ZINC001031920324 701057616 /nfs/dbraw/zinc/05/76/16/701057616.db2.gz ZPVPOFCGSPRSTQ-SFHVURJKSA-N 2 2 346.475 1.047 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026817 701066352 /nfs/dbraw/zinc/06/63/52/701066352.db2.gz OFFCOOYQVNDZAF-XJKSGUPXSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026817 701066356 /nfs/dbraw/zinc/06/63/56/701066356.db2.gz OFFCOOYQVNDZAF-XJKSGUPXSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026817 701066360 /nfs/dbraw/zinc/06/63/60/701066360.db2.gz OFFCOOYQVNDZAF-XJKSGUPXSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026817 701066363 /nfs/dbraw/zinc/06/63/63/701066363.db2.gz OFFCOOYQVNDZAF-XJKSGUPXSA-N 2 2 349.479 1.437 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941163326 701228140 /nfs/dbraw/zinc/22/81/40/701228140.db2.gz JNIMNRXBHCHUGZ-ZFWWWQNUSA-N 2 2 335.452 1.128 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941163326 701228141 /nfs/dbraw/zinc/22/81/41/701228141.db2.gz JNIMNRXBHCHUGZ-ZFWWWQNUSA-N 2 2 335.452 1.128 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941163326 701228142 /nfs/dbraw/zinc/22/81/42/701228142.db2.gz JNIMNRXBHCHUGZ-ZFWWWQNUSA-N 2 2 335.452 1.128 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941163326 701228143 /nfs/dbraw/zinc/22/81/43/701228143.db2.gz JNIMNRXBHCHUGZ-ZFWWWQNUSA-N 2 2 335.452 1.128 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221332 701412299 /nfs/dbraw/zinc/41/22/99/701412299.db2.gz QUCDUSOFYSFWCI-INIZCTEOSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221332 701412300 /nfs/dbraw/zinc/41/23/00/701412300.db2.gz QUCDUSOFYSFWCI-INIZCTEOSA-N 2 2 348.495 1.111 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000941223736 701414138 /nfs/dbraw/zinc/41/41/38/701414138.db2.gz KFMANXRFNDQGPF-CQSZACIVSA-N 2 2 348.476 1.460 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000941223736 701414139 /nfs/dbraw/zinc/41/41/39/701414139.db2.gz KFMANXRFNDQGPF-CQSZACIVSA-N 2 2 348.476 1.460 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000941444686 701536290 /nfs/dbraw/zinc/53/62/90/701536290.db2.gz UWZMKBFLUSCZHD-DJIMGWMZSA-N 2 2 345.491 1.388 20 0 EDADLP CCC[NH+]1CC(N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC000941456622 701543165 /nfs/dbraw/zinc/54/31/65/701543165.db2.gz REMODLVHTBFGHU-UHFFFAOYSA-N 2 2 327.432 1.415 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)cn1 ZINC001032128962 701804145 /nfs/dbraw/zinc/80/41/45/701804145.db2.gz NHGWRPUMOUPXIZ-WMZOPIPTSA-N 2 2 345.491 1.453 20 0 EDADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129241 701814789 /nfs/dbraw/zinc/81/47/89/701814789.db2.gz UIGLHIILOGQQHC-JKSUJKDBSA-N 2 2 333.480 1.089 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2C)C[C@H]1C ZINC000944445267 702032683 /nfs/dbraw/zinc/03/26/83/702032683.db2.gz ONOYPALQPCMYSG-DYVFJYSZSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2C)C[C@H]1C ZINC000944445267 702032692 /nfs/dbraw/zinc/03/26/92/702032692.db2.gz ONOYPALQPCMYSG-DYVFJYSZSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@@H]1C ZINC000944445498 702033444 /nfs/dbraw/zinc/03/34/44/702033444.db2.gz PDXPSABAVFMRKG-BBRMVZONSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)C[C@@H]1C ZINC000944445498 702033448 /nfs/dbraw/zinc/03/34/48/702033448.db2.gz PDXPSABAVFMRKG-BBRMVZONSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnccc2C)C[C@@H]1C ZINC000944447442 702040541 /nfs/dbraw/zinc/04/05/41/702040541.db2.gz ZODMHFASBYDGOC-WMLDXEAASA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cnccc2C)C[C@@H]1C ZINC000944447442 702040548 /nfs/dbraw/zinc/04/05/48/702040548.db2.gz ZODMHFASBYDGOC-WMLDXEAASA-N 2 2 341.459 1.991 20 0 EDADLP Cn1cncc1C[NH+]1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032206851 702165494 /nfs/dbraw/zinc/16/54/94/702165494.db2.gz LBQKDCGYILEVOQ-UHFFFAOYSA-N 2 2 341.459 1.344 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995879074 702185975 /nfs/dbraw/zinc/18/59/75/702185975.db2.gz BJTRBYBJBKUKPX-GOEBONIOSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995879074 702185980 /nfs/dbraw/zinc/18/59/80/702185980.db2.gz BJTRBYBJBKUKPX-GOEBONIOSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944100955 702214256 /nfs/dbraw/zinc/21/42/56/702214256.db2.gz UZCFOJIIZWUBIU-DOMZBBRYSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944100955 702214259 /nfs/dbraw/zinc/21/42/59/702214259.db2.gz UZCFOJIIZWUBIU-DOMZBBRYSA-N 2 2 347.488 1.754 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996107650 702531113 /nfs/dbraw/zinc/53/11/13/702531113.db2.gz UVHXOGNMQYFRAJ-OAHLLOKOSA-N 2 2 330.436 1.034 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942173691 702684436 /nfs/dbraw/zinc/68/44/36/702684436.db2.gz QZXOGCHZADSVNV-WBVHZDCISA-N 2 2 346.475 1.877 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942173691 702684437 /nfs/dbraw/zinc/68/44/37/702684437.db2.gz QZXOGCHZADSVNV-WBVHZDCISA-N 2 2 346.475 1.877 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)n1 ZINC000996300513 702692216 /nfs/dbraw/zinc/69/22/16/702692216.db2.gz NMRQUZQTYKDGEK-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)n1 ZINC000996300513 702692217 /nfs/dbraw/zinc/69/22/17/702692217.db2.gz NMRQUZQTYKDGEK-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)ncn1 ZINC000996354180 702732158 /nfs/dbraw/zinc/73/21/58/702732158.db2.gz GAKMMDCCIVKYRN-OAHLLOKOSA-N 2 2 328.420 1.077 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ncccn2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256331 702747765 /nfs/dbraw/zinc/74/77/65/702747765.db2.gz DLRODVHZGGNDPV-HZPDHXFCSA-N 2 2 343.475 1.432 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ncccn2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256331 702747767 /nfs/dbraw/zinc/74/77/67/702747767.db2.gz DLRODVHZGGNDPV-HZPDHXFCSA-N 2 2 343.475 1.432 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996399281 702756179 /nfs/dbraw/zinc/75/61/79/702756179.db2.gz RHAGCIPVQRYGNE-GOEBONIOSA-N 2 2 344.463 1.312 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996399281 702756182 /nfs/dbraw/zinc/75/61/82/702756182.db2.gz RHAGCIPVQRYGNE-GOEBONIOSA-N 2 2 344.463 1.312 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000995241321 702896380 /nfs/dbraw/zinc/89/63/80/702896380.db2.gz FBANFQSLHXTDNZ-UONOGXRCSA-N 2 2 333.461 1.723 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996683738 702981703 /nfs/dbraw/zinc/98/17/03/702981703.db2.gz HPRVGNKKDONAES-NUEKZKHPSA-N 2 2 332.448 1.520 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996683738 702981704 /nfs/dbraw/zinc/98/17/04/702981704.db2.gz HPRVGNKKDONAES-NUEKZKHPSA-N 2 2 332.448 1.520 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC000995255084 702996401 /nfs/dbraw/zinc/99/64/01/702996401.db2.gz VVBPAVLJJNVJPF-UKRRQHHQSA-N 2 2 343.431 1.823 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]Cc3nonc3C)CC2)c[nH+]1 ZINC000996717750 703011095 /nfs/dbraw/zinc/01/10/95/703011095.db2.gz QZUNFZYEUBLXMY-UHFFFAOYSA-N 2 2 346.435 1.399 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)n1 ZINC000942517727 703011254 /nfs/dbraw/zinc/01/12/54/703011254.db2.gz FEJVWKMHBBUWJZ-JSGCOSHPSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)n1 ZINC000942517727 703011256 /nfs/dbraw/zinc/01/12/56/703011256.db2.gz FEJVWKMHBBUWJZ-JSGCOSHPSA-N 2 2 346.435 1.164 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)c[nH+]1 ZINC000996718433 703012244 /nfs/dbraw/zinc/01/22/44/703012244.db2.gz RVDXKEHFFGYNTL-UHFFFAOYSA-N 2 2 344.463 1.441 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C[C@@H]1C ZINC000942518557 703019779 /nfs/dbraw/zinc/01/97/79/703019779.db2.gz TXZOZYOVLYTFOK-LRDDRELGSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)oc2C)C[C@@H]1C ZINC000942518557 703019782 /nfs/dbraw/zinc/01/97/82/703019782.db2.gz TXZOZYOVLYTFOK-LRDDRELGSA-N 2 2 345.447 1.823 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996738355 703024653 /nfs/dbraw/zinc/02/46/53/703024653.db2.gz NKJGKKCCCFWZMW-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)o1 ZINC000942555421 703068753 /nfs/dbraw/zinc/06/87/53/703068753.db2.gz JWZWANUIYDEHSF-UKRRQHHQSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)o1 ZINC000942555421 703068755 /nfs/dbraw/zinc/06/87/55/703068755.db2.gz JWZWANUIYDEHSF-UKRRQHHQSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996834433 703122294 /nfs/dbraw/zinc/12/22/94/703122294.db2.gz OHNPUEKKVGZXKF-UHFFFAOYSA-N 2 2 344.463 1.175 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC000996979676 703234982 /nfs/dbraw/zinc/23/49/82/703234982.db2.gz OGVUYWIBTKYZOQ-GDBMZVCRSA-N 2 2 331.464 1.288 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC000996979676 703234983 /nfs/dbraw/zinc/23/49/83/703234983.db2.gz OGVUYWIBTKYZOQ-GDBMZVCRSA-N 2 2 331.464 1.288 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996988435 703245800 /nfs/dbraw/zinc/24/58/00/703245800.db2.gz IXWCMZQMRKFMDN-JKSUJKDBSA-N 2 2 346.475 1.979 20 0 EDADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000996995015 703251909 /nfs/dbraw/zinc/25/19/09/703251909.db2.gz CEQDJEWRQWELKM-CRAIPNDOSA-N 2 2 346.475 1.129 20 0 EDADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000996995015 703251913 /nfs/dbraw/zinc/25/19/13/703251913.db2.gz CEQDJEWRQWELKM-CRAIPNDOSA-N 2 2 346.475 1.129 20 0 EDADLP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996997128 703260687 /nfs/dbraw/zinc/26/06/87/703260687.db2.gz UESSVWZBPUQEQX-ZDUSSCGKSA-N 2 2 344.419 1.302 20 0 EDADLP CCn1cc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)nn1 ZINC000997047650 703301512 /nfs/dbraw/zinc/30/15/12/703301512.db2.gz BDKMBZKZIMWJMN-AWEZNQCLSA-N 2 2 345.451 1.226 20 0 EDADLP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC000997210059 703509524 /nfs/dbraw/zinc/50/95/24/703509524.db2.gz GPRIUCVVJPBMJT-LBPRGKRZSA-N 2 2 346.435 1.548 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2noc(C3CCC3)n2)CC1 ZINC000997301366 703544728 /nfs/dbraw/zinc/54/47/28/703544728.db2.gz FHIYYLBAWHQQOI-UHFFFAOYSA-N 2 2 347.463 1.514 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)o1 ZINC001032447848 703616824 /nfs/dbraw/zinc/61/68/24/703616824.db2.gz CGXWSCWAVSKNHV-HOTGVXAUSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)o1 ZINC001032447848 703616827 /nfs/dbraw/zinc/61/68/27/703616827.db2.gz CGXWSCWAVSKNHV-HOTGVXAUSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C2CCC2)o1 ZINC001032447848 703616829 /nfs/dbraw/zinc/61/68/29/703616829.db2.gz CGXWSCWAVSKNHV-HOTGVXAUSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C2CCC2)o1 ZINC001032447848 703616831 /nfs/dbraw/zinc/61/68/31/703616831.db2.gz CGXWSCWAVSKNHV-HOTGVXAUSA-N 2 2 346.475 1.815 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccnc2)C1 ZINC001032443073 703619461 /nfs/dbraw/zinc/61/94/61/703619461.db2.gz LFHHJMWUNIYNJE-QYZOEREBSA-N 2 2 342.487 1.845 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccnc2)C1 ZINC001032443073 703619462 /nfs/dbraw/zinc/61/94/62/703619462.db2.gz LFHHJMWUNIYNJE-QYZOEREBSA-N 2 2 342.487 1.845 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2)C1 ZINC001032443073 703619463 /nfs/dbraw/zinc/61/94/63/703619463.db2.gz LFHHJMWUNIYNJE-QYZOEREBSA-N 2 2 342.487 1.845 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2)C1 ZINC001032443073 703619464 /nfs/dbraw/zinc/61/94/64/703619464.db2.gz LFHHJMWUNIYNJE-QYZOEREBSA-N 2 2 342.487 1.845 20 0 EDADLP C[C@H](C(N)=O)[NH+]1CCC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997645355 703955417 /nfs/dbraw/zinc/95/54/17/703955417.db2.gz XLZLTMUHNCKHMK-NWDGAFQWSA-N 2 2 343.431 1.267 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)n1 ZINC001004206558 703964338 /nfs/dbraw/zinc/96/43/38/703964338.db2.gz DMFYSBYBIUOAJC-SFHVURJKSA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3CC)CC2)n1 ZINC001004206558 703964342 /nfs/dbraw/zinc/96/43/42/703964342.db2.gz DMFYSBYBIUOAJC-SFHVURJKSA-N 2 2 347.507 1.858 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C(C)(C)C1 ZINC000995554292 703969164 /nfs/dbraw/zinc/96/91/64/703969164.db2.gz VFIJQVHVHXNFQR-UONOGXRCSA-N 2 2 347.463 1.368 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C(C)(C)C1 ZINC000995554292 703969167 /nfs/dbraw/zinc/96/91/67/703969167.db2.gz VFIJQVHVHXNFQR-UONOGXRCSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1C ZINC001032522484 703969803 /nfs/dbraw/zinc/96/98/03/703969803.db2.gz IIDARAUPQORKRH-IRXDYDNUSA-N 2 2 325.416 1.380 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1C ZINC001032522484 703969807 /nfs/dbraw/zinc/96/98/07/703969807.db2.gz IIDARAUPQORKRH-IRXDYDNUSA-N 2 2 325.416 1.380 20 0 EDADLP Cc1nsc(C)c1C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004256199 704083141 /nfs/dbraw/zinc/08/31/41/704083141.db2.gz CXORSQPXZKLZPB-UHFFFAOYSA-N 2 2 333.461 1.737 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC001004259149 704087718 /nfs/dbraw/zinc/08/77/18/704087718.db2.gz VXKCDGREZLDOOS-UHFFFAOYSA-N 2 2 336.827 1.014 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001033070855 704105753 /nfs/dbraw/zinc/10/57/53/704105753.db2.gz TWYNRWQOHFQVEP-QZTJIDSGSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001033070855 704105756 /nfs/dbraw/zinc/10/57/56/704105756.db2.gz TWYNRWQOHFQVEP-QZTJIDSGSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001033070855 704105760 /nfs/dbraw/zinc/10/57/60/704105760.db2.gz TWYNRWQOHFQVEP-QZTJIDSGSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001033070855 704105763 /nfs/dbraw/zinc/10/57/63/704105763.db2.gz TWYNRWQOHFQVEP-QZTJIDSGSA-N 2 2 345.491 1.691 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033078663 704130408 /nfs/dbraw/zinc/13/04/08/704130408.db2.gz YEVLXTNGPNBGLD-MRXNPFEDSA-N 2 2 347.507 1.717 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033078663 704130410 /nfs/dbraw/zinc/13/04/10/704130410.db2.gz YEVLXTNGPNBGLD-MRXNPFEDSA-N 2 2 347.507 1.717 20 0 EDADLP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033097884 704196648 /nfs/dbraw/zinc/19/66/48/704196648.db2.gz XZXHCGFCXNVVQN-ZBFHGGJFSA-N 2 2 334.464 1.330 20 0 EDADLP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033097884 704196649 /nfs/dbraw/zinc/19/66/49/704196649.db2.gz XZXHCGFCXNVVQN-ZBFHGGJFSA-N 2 2 334.464 1.330 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](Cc2cnon2)CC1 ZINC000997728618 704624931 /nfs/dbraw/zinc/62/49/31/704624931.db2.gz JSRIJJXGINAJGC-DZKIICNBSA-N 2 2 349.479 1.517 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](Cc2cnon2)CC1 ZINC000997728618 704624933 /nfs/dbraw/zinc/62/49/33/704624933.db2.gz JSRIJJXGINAJGC-DZKIICNBSA-N 2 2 349.479 1.517 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)s1 ZINC000947936283 704662484 /nfs/dbraw/zinc/66/24/84/704662484.db2.gz USNIMENRMGWAIR-GXTWGEPZSA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)s1 ZINC000947936283 704662487 /nfs/dbraw/zinc/66/24/87/704662487.db2.gz USNIMENRMGWAIR-GXTWGEPZSA-N 2 2 349.504 1.411 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)no1 ZINC000944965845 704837969 /nfs/dbraw/zinc/83/79/69/704837969.db2.gz WCJWJQDMWIIOHA-BLLLJJGKSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)no1 ZINC000944965845 704837974 /nfs/dbraw/zinc/83/79/74/704837974.db2.gz WCJWJQDMWIIOHA-BLLLJJGKSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1nonc1C[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000997930605 705036182 /nfs/dbraw/zinc/03/61/82/705036182.db2.gz QXJCGIGRVPDYIZ-UHFFFAOYSA-N 2 2 346.435 1.073 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000997951708 705071432 /nfs/dbraw/zinc/07/14/32/705071432.db2.gz JHUSCMRKXICRIF-UHFFFAOYSA-N 2 2 331.420 1.598 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC000997953113 705081307 /nfs/dbraw/zinc/08/13/07/705081307.db2.gz RSQREVNQRIFOGQ-RDJZCZTQSA-N 2 2 334.464 1.669 20 0 EDADLP CCc1nnc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000997953780 705082642 /nfs/dbraw/zinc/08/26/42/705082642.db2.gz ZYXPVUZVWFVPTA-UHFFFAOYSA-N 2 2 346.435 1.247 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032587352 705112837 /nfs/dbraw/zinc/11/28/37/705112837.db2.gz VSLYOLNGBQMZIW-TUUVXOQKSA-N 2 2 348.516 1.967 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001032587352 705112842 /nfs/dbraw/zinc/11/28/42/705112842.db2.gz VSLYOLNGBQMZIW-TUUVXOQKSA-N 2 2 348.516 1.967 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032587352 705112845 /nfs/dbraw/zinc/11/28/45/705112845.db2.gz VSLYOLNGBQMZIW-TUUVXOQKSA-N 2 2 348.516 1.967 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032587352 705112850 /nfs/dbraw/zinc/11/28/50/705112850.db2.gz VSLYOLNGBQMZIW-TUUVXOQKSA-N 2 2 348.516 1.967 20 0 EDADLP Cc1ncsc1C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000998184083 705483927 /nfs/dbraw/zinc/48/39/27/705483927.db2.gz SBCFEJJLVRIVGT-UHFFFAOYSA-N 2 2 333.461 1.746 20 0 EDADLP Cc1nccnc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000998221708 705547433 /nfs/dbraw/zinc/54/74/33/705547433.db2.gz GLCIMCTZLZZKBH-UHFFFAOYSA-N 2 2 342.447 1.089 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000998252876 705607713 /nfs/dbraw/zinc/60/77/13/705607713.db2.gz COZUQHCNMYMCPI-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)o1 ZINC000998255313 705615373 /nfs/dbraw/zinc/61/53/73/705615373.db2.gz RLRPUYZRANSCTQ-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC000998315501 705734433 /nfs/dbraw/zinc/73/44/33/705734433.db2.gz OSQIVVJFTMBTLP-NEPJUHHUSA-N 2 2 336.333 1.530 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032627718 705737947 /nfs/dbraw/zinc/73/79/47/705737947.db2.gz GWILYOKCAHJGIE-KBMXLJTQSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032627718 705737950 /nfs/dbraw/zinc/73/79/50/705737950.db2.gz GWILYOKCAHJGIE-KBMXLJTQSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001032627718 705737952 /nfs/dbraw/zinc/73/79/52/705737952.db2.gz GWILYOKCAHJGIE-KBMXLJTQSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001032627718 705737953 /nfs/dbraw/zinc/73/79/53/705737953.db2.gz GWILYOKCAHJGIE-KBMXLJTQSA-N 2 2 346.475 1.672 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000921660805 705884040 /nfs/dbraw/zinc/88/40/40/705884040.db2.gz DFCFQCMKMKBMNO-FUHWJXTLSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000921660805 705884044 /nfs/dbraw/zinc/88/40/44/705884044.db2.gz DFCFQCMKMKBMNO-FUHWJXTLSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1ccc(F)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998830055 706260243 /nfs/dbraw/zinc/26/02/43/706260243.db2.gz WMNQVYMIYUPFJY-AEFFLSMTSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998830055 706260245 /nfs/dbraw/zinc/26/02/45/706260245.db2.gz WMNQVYMIYUPFJY-AEFFLSMTSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999007848 706427316 /nfs/dbraw/zinc/42/73/16/706427316.db2.gz SMARKICIKSMXIJ-VQCLRJIVSA-N 2 2 343.431 1.521 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999048743 706490330 /nfs/dbraw/zinc/49/03/30/706490330.db2.gz XYLKYZPLGBZXFQ-AWEZNQCLSA-N 2 2 345.447 1.982 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)n1 ZINC000999345803 706857523 /nfs/dbraw/zinc/85/75/23/706857523.db2.gz BACCXWPGHFNUSG-HZPDHXFCSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)n1 ZINC000999345803 706857525 /nfs/dbraw/zinc/85/75/25/706857525.db2.gz BACCXWPGHFNUSG-HZPDHXFCSA-N 2 2 349.479 1.437 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC000999349194 706861327 /nfs/dbraw/zinc/86/13/27/706861327.db2.gz RLBFQCICNWYHJG-AWEZNQCLSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC000999366412 706880483 /nfs/dbraw/zinc/88/04/83/706880483.db2.gz YGHISLGKUWWWID-OCCSQVGLSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC000999366412 706880485 /nfs/dbraw/zinc/88/04/85/706880485.db2.gz YGHISLGKUWWWID-OCCSQVGLSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999412263 706921956 /nfs/dbraw/zinc/92/19/56/706921956.db2.gz PLEMWHKVVIEIBY-GVDBMIGSSA-N 2 2 339.443 1.997 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000999412263 706921959 /nfs/dbraw/zinc/92/19/59/706921959.db2.gz PLEMWHKVVIEIBY-GVDBMIGSSA-N 2 2 339.443 1.997 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999413622 706923406 /nfs/dbraw/zinc/92/34/06/706923406.db2.gz SOVLKRWNCDVZDA-ARFHVFGLSA-N 2 2 342.447 1.336 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000999413622 706923409 /nfs/dbraw/zinc/92/34/09/706923409.db2.gz SOVLKRWNCDVZDA-ARFHVFGLSA-N 2 2 342.447 1.336 20 0 EDADLP Cc1cc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001060879542 706985235 /nfs/dbraw/zinc/98/52/35/706985235.db2.gz HQQIHQFYHITUFP-ZBFHGGJFSA-N 2 2 343.475 1.875 20 0 EDADLP Cc1cc(NC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001060879542 706985239 /nfs/dbraw/zinc/98/52/39/706985239.db2.gz HQQIHQFYHITUFP-ZBFHGGJFSA-N 2 2 343.475 1.875 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)n1 ZINC000999490611 707027246 /nfs/dbraw/zinc/02/72/46/707027246.db2.gz RKNQCZPXLPTBCF-HNNXBMFYSA-N 2 2 347.463 1.335 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999538582 707039116 /nfs/dbraw/zinc/03/91/16/707039116.db2.gz YMUOVXDGUWECDS-GDBMZVCRSA-N 2 2 343.431 1.523 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999697229 707222899 /nfs/dbraw/zinc/22/28/99/707222899.db2.gz LADUZBYJGYKCEF-NFOMZHRRSA-N 2 2 334.464 1.693 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2nc(C)c(C)o2)C1 ZINC000999714273 707252083 /nfs/dbraw/zinc/25/20/83/707252083.db2.gz OBJLMEOXKUPTIN-OAHLLOKOSA-N 2 2 331.420 1.577 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC000999715775 707253793 /nfs/dbraw/zinc/25/37/93/707253793.db2.gz WRAABBDOFKLBHC-HNNXBMFYSA-N 2 2 345.451 1.145 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)co1 ZINC001033182006 707331687 /nfs/dbraw/zinc/33/16/87/707331687.db2.gz MAPBMYSJVMYODY-QGZVFWFLSA-N 2 2 346.475 1.892 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)co1 ZINC001033182006 707331692 /nfs/dbraw/zinc/33/16/92/707331692.db2.gz MAPBMYSJVMYODY-QGZVFWFLSA-N 2 2 346.475 1.892 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999778555 707339074 /nfs/dbraw/zinc/33/90/74/707339074.db2.gz YCMCGNKOXXQSHL-KRWDZBQOSA-N 2 2 341.459 1.837 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999778585 707339294 /nfs/dbraw/zinc/33/92/94/707339294.db2.gz YFTCIRSOSITBOE-INIZCTEOSA-N 2 2 345.422 1.668 20 0 EDADLP CC[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1)OC ZINC001033184426 707364821 /nfs/dbraw/zinc/36/48/21/707364821.db2.gz ALCSUKHAGKKLFI-CVEARBPZSA-N 2 2 336.480 1.884 20 0 EDADLP CC[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1)OC ZINC001033184426 707364827 /nfs/dbraw/zinc/36/48/27/707364827.db2.gz ALCSUKHAGKKLFI-CVEARBPZSA-N 2 2 336.480 1.884 20 0 EDADLP Cc1nc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)cs1 ZINC000999837301 707408591 /nfs/dbraw/zinc/40/85/91/707408591.db2.gz PPWISYOYJCRCDE-UHFFFAOYSA-N 2 2 333.461 1.736 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)c1cnccn1 ZINC000999839307 707411713 /nfs/dbraw/zinc/41/17/13/707411713.db2.gz ZJHORWJZHGFWAL-GJZGRUSLSA-N 2 2 328.420 1.405 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297335 707412723 /nfs/dbraw/zinc/41/27/23/707412723.db2.gz LROOLSJSJVMKHU-ROUUACIJSA-N 2 2 337.508 1.676 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297335 707412726 /nfs/dbraw/zinc/41/27/26/707412726.db2.gz LROOLSJSJVMKHU-ROUUACIJSA-N 2 2 337.508 1.676 20 0 EDADLP CC(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297335 707412729 /nfs/dbraw/zinc/41/27/29/707412729.db2.gz LROOLSJSJVMKHU-ROUUACIJSA-N 2 2 337.508 1.676 20 0 EDADLP CC(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001033297335 707412732 /nfs/dbraw/zinc/41/27/32/707412732.db2.gz LROOLSJSJVMKHU-ROUUACIJSA-N 2 2 337.508 1.676 20 0 EDADLP Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001004872397 707511482 /nfs/dbraw/zinc/51/14/82/707511482.db2.gz YFPQXNUYHYLHDQ-BBRMVZONSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001004872397 707511484 /nfs/dbraw/zinc/51/14/84/707511484.db2.gz YFPQXNUYHYLHDQ-BBRMVZONSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)o1 ZINC001004880007 707553636 /nfs/dbraw/zinc/55/36/36/707553636.db2.gz UEWYJFMIVBJOBK-XJKSGUPXSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)o1 ZINC001004880007 707553640 /nfs/dbraw/zinc/55/36/40/707553640.db2.gz UEWYJFMIVBJOBK-XJKSGUPXSA-N 2 2 349.479 1.722 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004922658 707658281 /nfs/dbraw/zinc/65/82/81/707658281.db2.gz WKJQOZITPREJLC-RDJZCZTQSA-N 2 2 344.463 1.566 20 0 EDADLP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004923846 707662209 /nfs/dbraw/zinc/66/22/09/707662209.db2.gz ZSHXVHUJUDUWCF-DOTOQJQBSA-N 2 2 344.463 1.566 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033366508 707662551 /nfs/dbraw/zinc/66/25/51/707662551.db2.gz RPEALCMOWCVMRI-MRXNPFEDSA-N 2 2 345.447 1.421 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033366508 707662553 /nfs/dbraw/zinc/66/25/53/707662553.db2.gz RPEALCMOWCVMRI-MRXNPFEDSA-N 2 2 345.447 1.421 20 0 EDADLP C[C@H]([NH2+]Cc1cccnc1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004948478 707722374 /nfs/dbraw/zinc/72/23/74/707722374.db2.gz TWQDGNSBJYYJND-WMLDXEAASA-N 2 2 327.432 1.907 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733940 707742969 /nfs/dbraw/zinc/74/29/69/707742969.db2.gz NQEQDJPSIDVEOD-GJZGRUSLSA-N 2 2 330.432 1.172 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733940 707742973 /nfs/dbraw/zinc/74/29/73/707742973.db2.gz NQEQDJPSIDVEOD-GJZGRUSLSA-N 2 2 330.432 1.172 20 0 EDADLP Cc1oncc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004959798 707773141 /nfs/dbraw/zinc/77/31/41/707773141.db2.gz YTEOOCUPBGRHIW-MLGOLLRUSA-N 2 2 331.420 1.808 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC001000203485 707847257 /nfs/dbraw/zinc/84/72/57/707847257.db2.gz XBGXNNYORJYZGB-CQSZACIVSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC001000203485 707847261 /nfs/dbraw/zinc/84/72/61/707847261.db2.gz XBGXNNYORJYZGB-CQSZACIVSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1nccn1C ZINC001004989453 707848401 /nfs/dbraw/zinc/84/84/01/707848401.db2.gz IFHWGSTUWLSPRL-HOCLYGCPSA-N 2 2 344.463 1.554 20 0 EDADLP Cc1noc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004992721 707873650 /nfs/dbraw/zinc/87/36/50/707873650.db2.gz OLNVQGNXLZJSQC-HIFRSBDPSA-N 2 2 335.452 1.333 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033229143 707880797 /nfs/dbraw/zinc/88/07/97/707880797.db2.gz SAICZKXCGMZTOG-HNNXBMFYSA-N 2 2 331.464 1.081 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033229143 707880802 /nfs/dbraw/zinc/88/08/02/707880802.db2.gz SAICZKXCGMZTOG-HNNXBMFYSA-N 2 2 331.464 1.081 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c(C)n1 ZINC001033452196 707895005 /nfs/dbraw/zinc/89/50/05/707895005.db2.gz ICOAPGFMIJYQKC-QGZVFWFLSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c(C)n1 ZINC001033452196 707895007 /nfs/dbraw/zinc/89/50/07/707895007.db2.gz ICOAPGFMIJYQKC-QGZVFWFLSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)nn1C ZINC001005009667 707926530 /nfs/dbraw/zinc/92/65/30/707926530.db2.gz NOXSXZILRVWUOZ-RDJZCZTQSA-N 2 2 344.463 1.484 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033530957 708153567 /nfs/dbraw/zinc/15/35/67/708153567.db2.gz IMHAUYVXWZVHDE-KRWDZBQOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033530957 708153569 /nfs/dbraw/zinc/15/35/69/708153569.db2.gz IMHAUYVXWZVHDE-KRWDZBQOSA-N 2 2 334.464 1.748 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033587934 708279930 /nfs/dbraw/zinc/27/99/30/708279930.db2.gz IYODCXYMUFLOTG-CYBMUJFWSA-N 2 2 347.488 1.919 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033587934 708279934 /nfs/dbraw/zinc/27/99/34/708279934.db2.gz IYODCXYMUFLOTG-CYBMUJFWSA-N 2 2 347.488 1.919 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC[NH+](Cc3cnon3)CC2)C1 ZINC001001757261 708280958 /nfs/dbraw/zinc/28/09/58/708280958.db2.gz QEGXGONCCSRIRC-INIZCTEOSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCC2CC[NH+](Cc3cnon3)CC2)C1 ZINC001001757261 708280959 /nfs/dbraw/zinc/28/09/59/708280959.db2.gz QEGXGONCCSRIRC-INIZCTEOSA-N 2 2 349.479 1.520 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001033593937 708294818 /nfs/dbraw/zinc/29/48/18/708294818.db2.gz KFKPYHMZRLXVGD-KBPBESRZSA-N 2 2 340.418 1.931 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001033593937 708294820 /nfs/dbraw/zinc/29/48/20/708294820.db2.gz KFKPYHMZRLXVGD-KBPBESRZSA-N 2 2 340.418 1.931 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033656429 708425526 /nfs/dbraw/zinc/42/55/26/708425526.db2.gz AATPTFZBBMXDAS-HNNXBMFYSA-N 2 2 336.867 1.864 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033656429 708425529 /nfs/dbraw/zinc/42/55/29/708425529.db2.gz AATPTFZBBMXDAS-HNNXBMFYSA-N 2 2 336.867 1.864 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033708398 708541431 /nfs/dbraw/zinc/54/14/31/708541431.db2.gz ZKHNZAIOKCSMFM-CQSZACIVSA-N 2 2 331.420 1.475 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033708398 708541434 /nfs/dbraw/zinc/54/14/34/708541434.db2.gz ZKHNZAIOKCSMFM-CQSZACIVSA-N 2 2 331.420 1.475 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033788584 708698926 /nfs/dbraw/zinc/69/89/26/708698926.db2.gz HWLBGTXNGRZYIC-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033788584 708698927 /nfs/dbraw/zinc/69/89/27/708698927.db2.gz HWLBGTXNGRZYIC-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033788584 708698928 /nfs/dbraw/zinc/69/89/28/708698928.db2.gz HWLBGTXNGRZYIC-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033788584 708698929 /nfs/dbraw/zinc/69/89/29/708698929.db2.gz HWLBGTXNGRZYIC-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033829990 708851209 /nfs/dbraw/zinc/85/12/09/708851209.db2.gz DVQYENIMIJZRLO-IAGOWNOFSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033829990 708851210 /nfs/dbraw/zinc/85/12/10/708851210.db2.gz DVQYENIMIJZRLO-IAGOWNOFSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033830608 708852355 /nfs/dbraw/zinc/85/23/55/708852355.db2.gz LMAHKDSVSFZGLU-QZTJIDSGSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033830608 708852358 /nfs/dbraw/zinc/85/23/58/708852358.db2.gz LMAHKDSVSFZGLU-QZTJIDSGSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001033831864 708854367 /nfs/dbraw/zinc/85/43/67/708854367.db2.gz ZXXNTCBXKDSPEG-DLBZAZTESA-N 2 2 332.448 1.439 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001033831864 708854369 /nfs/dbraw/zinc/85/43/69/708854369.db2.gz ZXXNTCBXKDSPEG-DLBZAZTESA-N 2 2 332.448 1.439 20 0 EDADLP Cn1ccnc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034208230 709557055 /nfs/dbraw/zinc/55/70/55/709557055.db2.gz SEMOECPOKYZOMB-DLBZAZTESA-N 2 2 345.491 1.233 20 0 EDADLP Cn1ccnc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034208230 709557057 /nfs/dbraw/zinc/55/70/57/709557057.db2.gz SEMOECPOKYZOMB-DLBZAZTESA-N 2 2 345.491 1.233 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](Cc2cnns2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034211463 709562439 /nfs/dbraw/zinc/56/24/39/709562439.db2.gz MZAWBCULKIOYKV-GOEBONIOSA-N 2 2 349.504 1.351 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](Cc2cnns2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034211463 709562445 /nfs/dbraw/zinc/56/24/45/709562445.db2.gz MZAWBCULKIOYKV-GOEBONIOSA-N 2 2 349.504 1.351 20 0 EDADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034220293 709578257 /nfs/dbraw/zinc/57/82/57/709578257.db2.gz XEWFPEPWGHORMR-OAHLLOKOSA-N 2 2 334.464 1.379 20 0 EDADLP COCC[N@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034220293 709578258 /nfs/dbraw/zinc/57/82/58/709578258.db2.gz XEWFPEPWGHORMR-OAHLLOKOSA-N 2 2 334.464 1.379 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccnc1 ZINC000922077721 709590432 /nfs/dbraw/zinc/59/04/32/709590432.db2.gz OYKBXHDMFZADKU-HOTGVXAUSA-N 2 2 342.447 1.585 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034240540 709624938 /nfs/dbraw/zinc/62/49/38/709624938.db2.gz REEILXAJUDVXFP-WMZOPIPTSA-N 2 2 347.507 1.765 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034240540 709624941 /nfs/dbraw/zinc/62/49/41/709624941.db2.gz REEILXAJUDVXFP-WMZOPIPTSA-N 2 2 347.507 1.765 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034240540 709624945 /nfs/dbraw/zinc/62/49/45/709624945.db2.gz REEILXAJUDVXFP-WMZOPIPTSA-N 2 2 347.507 1.765 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034240540 709624948 /nfs/dbraw/zinc/62/49/48/709624948.db2.gz REEILXAJUDVXFP-WMZOPIPTSA-N 2 2 347.507 1.765 20 0 EDADLP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045397575 709829459 /nfs/dbraw/zinc/82/94/59/709829459.db2.gz HCMDKCHFVWITNB-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397575 709829466 /nfs/dbraw/zinc/82/94/66/709829466.db2.gz HCMDKCHFVWITNB-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H](c1nncn1C)[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384657 709911703 /nfs/dbraw/zinc/91/17/03/709911703.db2.gz GDPZYFJYNNOZHW-HOCLYGCPSA-N 2 2 348.495 1.189 20 0 EDADLP C[C@@H](c1nncn1C)[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384657 709911706 /nfs/dbraw/zinc/91/17/06/709911706.db2.gz GDPZYFJYNNOZHW-HOCLYGCPSA-N 2 2 348.495 1.189 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]c(C)n2)C1 ZINC001061243108 709932289 /nfs/dbraw/zinc/93/22/89/709932289.db2.gz JSMYVVTYCXOACE-MRXNPFEDSA-N 2 2 342.447 1.726 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)n1 ZINC001003147733 710046722 /nfs/dbraw/zinc/04/67/22/710046722.db2.gz YAVWATCLCJXFCM-ROUUACIJSA-N 2 2 345.491 1.518 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)n1 ZINC001003147733 710046727 /nfs/dbraw/zinc/04/67/27/710046727.db2.gz YAVWATCLCJXFCM-ROUUACIJSA-N 2 2 345.491 1.518 20 0 EDADLP O=C(NC1CC[NH+](CCOC2CCC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001003191181 710087051 /nfs/dbraw/zinc/08/70/51/710087051.db2.gz WDVGFAMDOVPQCV-HNNXBMFYSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)on1 ZINC001003178851 710094505 /nfs/dbraw/zinc/09/45/05/710094505.db2.gz BLMGZKOOUCZCCT-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1)OC ZINC001003189208 710105975 /nfs/dbraw/zinc/10/59/75/710105975.db2.gz FGHRCQCFSHUWOE-HOCLYGCPSA-N 2 2 334.464 1.451 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491158 710111185 /nfs/dbraw/zinc/11/11/85/710111185.db2.gz PHRROOYIYCZHMK-HNNXBMFYSA-N 2 2 332.448 1.550 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491158 710111186 /nfs/dbraw/zinc/11/11/86/710111186.db2.gz PHRROOYIYCZHMK-HNNXBMFYSA-N 2 2 332.448 1.550 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](Cc2cccnc2)C1 ZINC001034491621 710112156 /nfs/dbraw/zinc/11/21/56/710112156.db2.gz WIUYRMMSFNLQRP-INIZCTEOSA-N 2 2 327.432 1.529 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cccnc2)C1 ZINC001034491621 710112159 /nfs/dbraw/zinc/11/21/59/710112159.db2.gz WIUYRMMSFNLQRP-INIZCTEOSA-N 2 2 327.432 1.529 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001003194171 710128796 /nfs/dbraw/zinc/12/87/96/710128796.db2.gz RTNWITMYIZETQA-HOTGVXAUSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCCO2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001003193931 710128935 /nfs/dbraw/zinc/12/89/35/710128935.db2.gz PTYOGKNBPGERIB-YJBOKZPZSA-N 2 2 346.475 1.595 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001003230284 710151096 /nfs/dbraw/zinc/15/10/96/710151096.db2.gz NUGDCISTUAOJEM-GOSISDBHSA-N 2 2 347.507 1.621 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001003230284 710151098 /nfs/dbraw/zinc/15/10/98/710151098.db2.gz NUGDCISTUAOJEM-GOSISDBHSA-N 2 2 347.507 1.621 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001034523747 710171747 /nfs/dbraw/zinc/17/17/47/710171747.db2.gz BIPCXVMURGQDQP-HOTGVXAUSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001034523747 710171751 /nfs/dbraw/zinc/17/17/51/710171751.db2.gz BIPCXVMURGQDQP-HOTGVXAUSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001034523747 710171753 /nfs/dbraw/zinc/17/17/53/710171753.db2.gz BIPCXVMURGQDQP-HOTGVXAUSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001034523747 710171754 /nfs/dbraw/zinc/17/17/54/710171754.db2.gz BIPCXVMURGQDQP-HOTGVXAUSA-N 2 2 348.495 1.281 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC001032838268 710279158 /nfs/dbraw/zinc/27/91/58/710279158.db2.gz CNYNOJYWGOADHK-XYPHTWIQSA-N 2 2 335.423 1.144 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC001032838268 710279161 /nfs/dbraw/zinc/27/91/61/710279161.db2.gz CNYNOJYWGOADHK-XYPHTWIQSA-N 2 2 335.423 1.144 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC001032838268 710279164 /nfs/dbraw/zinc/27/91/64/710279164.db2.gz CNYNOJYWGOADHK-XYPHTWIQSA-N 2 2 335.423 1.144 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC001032838268 710279167 /nfs/dbraw/zinc/27/91/67/710279167.db2.gz CNYNOJYWGOADHK-XYPHTWIQSA-N 2 2 335.423 1.144 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003626392 710455428 /nfs/dbraw/zinc/45/54/28/710455428.db2.gz NZUJQWPCCDGTNJ-AWEZNQCLSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003626392 710455430 /nfs/dbraw/zinc/45/54/30/710455430.db2.gz NZUJQWPCCDGTNJ-AWEZNQCLSA-N 2 2 348.495 1.029 20 0 EDADLP Cc1csc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003626427 710455488 /nfs/dbraw/zinc/45/54/88/710455488.db2.gz OGUGWTXGMRCNCJ-ZDUSSCGKSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1csc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003626427 710455490 /nfs/dbraw/zinc/45/54/90/710455490.db2.gz OGUGWTXGMRCNCJ-ZDUSSCGKSA-N 2 2 336.505 1.874 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3cscn3)CC2)C1 ZINC001003630298 710459661 /nfs/dbraw/zinc/45/96/61/710459661.db2.gz KLYQNIOGPFBXAD-UHFFFAOYSA-N 2 2 336.505 1.956 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cscn3)CC2)C1 ZINC001003630298 710459663 /nfs/dbraw/zinc/45/96/63/710459663.db2.gz KLYQNIOGPFBXAD-UHFFFAOYSA-N 2 2 336.505 1.956 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001003652987 710470174 /nfs/dbraw/zinc/47/01/74/710470174.db2.gz UOPDIOBXBXHAJO-IAGOWNOFSA-N 2 2 346.475 1.531 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001003775815 710544862 /nfs/dbraw/zinc/54/48/62/710544862.db2.gz BAXWTVYXDYGXKM-GOEBONIOSA-N 2 2 349.504 1.636 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001003775815 710544863 /nfs/dbraw/zinc/54/48/63/710544863.db2.gz BAXWTVYXDYGXKM-GOEBONIOSA-N 2 2 349.504 1.636 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+][C@@H](C)C(N)=O)CC2)c(C)[nH+]1 ZINC001034694490 710769087 /nfs/dbraw/zinc/76/90/87/710769087.db2.gz UMEAYDOOQSZRNH-KKUMJFAQSA-N 2 2 332.448 1.511 20 0 EDADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001034701700 710806407 /nfs/dbraw/zinc/80/64/07/710806407.db2.gz ICONOPZKWXWHRF-DJIMGWMZSA-N 2 2 342.443 1.884 20 0 EDADLP C[C@H]1C[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)CCO1 ZINC001034764922 711041159 /nfs/dbraw/zinc/04/11/59/711041159.db2.gz YQHRIVCIXUKUJC-FZKCQIBNSA-N 2 2 334.464 1.784 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034779260 711084517 /nfs/dbraw/zinc/08/45/17/711084517.db2.gz GAHVOGPZJJZUPK-JOCQHMNTSA-N 2 2 344.419 1.361 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001003966479 711104559 /nfs/dbraw/zinc/10/45/59/711104559.db2.gz CHPAUMWYYPIZTE-CQSZACIVSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003966479 711104560 /nfs/dbraw/zinc/10/45/60/711104560.db2.gz CHPAUMWYYPIZTE-CQSZACIVSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003972265 711125982 /nfs/dbraw/zinc/12/59/82/711125982.db2.gz WNBQBTBSBYHNCX-ZIAGYGMSSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003972265 711125985 /nfs/dbraw/zinc/12/59/85/711125985.db2.gz WNBQBTBSBYHNCX-ZIAGYGMSSA-N 2 2 349.479 1.615 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)CC1 ZINC001034800981 711140670 /nfs/dbraw/zinc/14/06/70/711140670.db2.gz BPGXUWGJIALMKV-IYARVYRRSA-N 2 2 342.443 1.593 20 0 EDADLP Cc1conc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001034811804 711177096 /nfs/dbraw/zinc/17/70/96/711177096.db2.gz XLARTUMFUWQOBZ-GOSISDBHSA-N 2 2 342.443 1.983 20 0 EDADLP Cc1conc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001034811804 711177098 /nfs/dbraw/zinc/17/70/98/711177098.db2.gz XLARTUMFUWQOBZ-GOSISDBHSA-N 2 2 342.443 1.983 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034819935 711220102 /nfs/dbraw/zinc/22/01/02/711220102.db2.gz CLZDRQAQGVWSRM-KRWDZBQOSA-N 2 2 343.431 1.460 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034819935 711220104 /nfs/dbraw/zinc/22/01/04/711220104.db2.gz CLZDRQAQGVWSRM-KRWDZBQOSA-N 2 2 343.431 1.460 20 0 EDADLP C[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]Cc3cnon3)cc2)CC1 ZINC001034824701 711227620 /nfs/dbraw/zinc/22/76/20/711227620.db2.gz WLDZDUOHVDHFLJ-UHFFFAOYSA-N 2 2 343.431 1.317 20 0 EDADLP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC001004051903 711339348 /nfs/dbraw/zinc/33/93/48/711339348.db2.gz FXAJVHMFKDNRQR-UHFFFAOYSA-N 2 2 344.463 1.355 20 0 EDADLP Cc1noc(CCC[NH+]2CCC(NC(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC001004052494 711340993 /nfs/dbraw/zinc/34/09/93/711340993.db2.gz IWHMHRXNZKRXPS-UHFFFAOYSA-N 2 2 346.435 1.165 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](Cc2ncccc2C)CC1 ZINC001004053135 711375020 /nfs/dbraw/zinc/37/50/20/711375020.db2.gz MJKVOFCILUNDFE-UHFFFAOYSA-N 2 2 327.432 1.745 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)o1 ZINC001033154318 712165035 /nfs/dbraw/zinc/16/50/35/712165035.db2.gz ZPSPACFFVPSLIU-ZBFHGGJFSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)o1 ZINC001033154318 712165037 /nfs/dbraw/zinc/16/50/37/712165037.db2.gz ZPSPACFFVPSLIU-ZBFHGGJFSA-N 2 2 343.431 1.790 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)c1ccsc1 ZINC000417019291 282175520 /nfs/dbraw/zinc/17/55/20/282175520.db2.gz QYKHLTIOKKXGIY-STQMWFEESA-N 2 2 346.447 1.895 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000347182881 282187075 /nfs/dbraw/zinc/18/70/75/282187075.db2.gz AVGJVLZJJMSMPK-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000173144564 282254681 /nfs/dbraw/zinc/25/46/81/282254681.db2.gz UPERLCMGYYOXSW-SJLPKXTDSA-N 2 2 339.524 1.972 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCCN1CCc2ccccc21 ZINC000181098779 529899057 /nfs/dbraw/zinc/89/90/57/529899057.db2.gz LHASOYWYOXIEQK-UHFFFAOYSA-N 2 2 341.459 1.384 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCCN1CCc2ccccc21 ZINC000181098779 529899058 /nfs/dbraw/zinc/89/90/58/529899058.db2.gz LHASOYWYOXIEQK-UHFFFAOYSA-N 2 2 341.459 1.384 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000168594025 529980450 /nfs/dbraw/zinc/98/04/50/529980450.db2.gz CMJKVKQIYNBUIR-OLZOCXBDSA-N 2 2 325.403 1.901 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000168594025 529980452 /nfs/dbraw/zinc/98/04/52/529980452.db2.gz CMJKVKQIYNBUIR-OLZOCXBDSA-N 2 2 325.403 1.901 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC[C@@H]21 ZINC000153131525 530058346 /nfs/dbraw/zinc/05/83/46/530058346.db2.gz SDCRRNCZBWIOFR-ZACQAIPSSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC[C@@H]21 ZINC000153131525 530058347 /nfs/dbraw/zinc/05/83/47/530058347.db2.gz SDCRRNCZBWIOFR-ZACQAIPSSA-N 2 2 343.475 1.786 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000560400364 306267442 /nfs/dbraw/zinc/26/74/42/306267442.db2.gz PZDLJLKTFJKMQP-KKUMJFAQSA-N 2 2 332.448 1.541 20 0 EDADLP CCc1nocc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000560454217 306269302 /nfs/dbraw/zinc/26/93/02/306269302.db2.gz UMIYNYHAVUKSPC-UHFFFAOYSA-N 2 2 334.464 1.613 20 0 EDADLP COCCOCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687319 305145439 /nfs/dbraw/zinc/14/54/39/305145439.db2.gz DPIARPTYLQRSJC-AWEZNQCLSA-N 2 2 325.478 1.750 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c[nH+]1 ZINC000334092793 539668154 /nfs/dbraw/zinc/66/81/54/539668154.db2.gz OXMFBPITNCZWNE-YOEHRIQHSA-N 2 2 332.448 1.561 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000561478234 306288128 /nfs/dbraw/zinc/28/81/28/306288128.db2.gz WKZXYAZLGUTNPM-HNNXBMFYSA-N 2 2 347.463 1.785 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000561478234 306288129 /nfs/dbraw/zinc/28/81/29/306288129.db2.gz WKZXYAZLGUTNPM-HNNXBMFYSA-N 2 2 347.463 1.785 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562370538 306296597 /nfs/dbraw/zinc/29/65/97/306296597.db2.gz ZRROJSXCJAETAE-CQSZACIVSA-N 2 2 343.431 1.245 20 0 EDADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181041585 234068263 /nfs/dbraw/zinc/06/82/63/234068263.db2.gz ADNHWJGYWANPDZ-DLBZAZTESA-N 2 2 331.460 1.579 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c[nH+]1 ZINC000562789144 306308994 /nfs/dbraw/zinc/30/89/94/306308994.db2.gz ADPLSXLHRUIVIM-CVEARBPZSA-N 2 2 331.464 1.679 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC(=O)Nc1ccccc1 ZINC000562838018 306311082 /nfs/dbraw/zinc/31/10/82/306311082.db2.gz YXLFHONOUOPUNN-GOEBONIOSA-N 2 2 330.432 1.799 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC(=O)Nc1ccccc1 ZINC000562838018 306311083 /nfs/dbraw/zinc/31/10/83/306311083.db2.gz YXLFHONOUOPUNN-GOEBONIOSA-N 2 2 330.432 1.799 20 0 EDADLP [NH3+]C1CCC(OCC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000563065335 306317729 /nfs/dbraw/zinc/31/77/29/306317729.db2.gz JJQOIILAOGVVLJ-UHFFFAOYSA-N 2 2 336.823 1.890 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000279210672 540067052 /nfs/dbraw/zinc/06/70/52/540067052.db2.gz NUIBXVRVAYVQCH-KRWDZBQOSA-N 2 2 328.416 1.360 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000279210672 540067054 /nfs/dbraw/zinc/06/70/54/540067054.db2.gz NUIBXVRVAYVQCH-KRWDZBQOSA-N 2 2 328.416 1.360 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000183361216 540137708 /nfs/dbraw/zinc/13/77/08/540137708.db2.gz BWOYVEHVWZHLBF-QAPCUYQASA-N 2 2 349.450 1.831 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000183361216 540137710 /nfs/dbraw/zinc/13/77/10/540137710.db2.gz BWOYVEHVWZHLBF-QAPCUYQASA-N 2 2 349.450 1.831 20 0 EDADLP CNc1[nH+]cnc2c1cnn2C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000193759427 540183944 /nfs/dbraw/zinc/18/39/44/540183944.db2.gz VHOHIHJOKIRULY-OAHLLOKOSA-N 2 2 338.415 1.287 20 0 EDADLP CNc1[nH+]cnc2c1cnn2C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000193759427 540183946 /nfs/dbraw/zinc/18/39/46/540183946.db2.gz VHOHIHJOKIRULY-OAHLLOKOSA-N 2 2 338.415 1.287 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)c(Br)c1 ZINC000038030885 213194183 /nfs/dbraw/zinc/19/41/83/213194183.db2.gz LVCAUNCQFZPIMP-UHFFFAOYSA-N 2 2 344.228 1.452 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)c(Br)c1 ZINC000038030885 213194184 /nfs/dbraw/zinc/19/41/84/213194184.db2.gz LVCAUNCQFZPIMP-UHFFFAOYSA-N 2 2 344.228 1.452 20 0 EDADLP COC(=O)C[C@@H](C)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368052836 291106886 /nfs/dbraw/zinc/10/68/86/291106886.db2.gz ZHBNYNFROXOMHN-LSDHHAIUSA-N 2 2 339.480 1.203 20 0 EDADLP COC(=O)C[C@@H](C)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368052836 291106889 /nfs/dbraw/zinc/10/68/89/291106889.db2.gz ZHBNYNFROXOMHN-LSDHHAIUSA-N 2 2 339.480 1.203 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000071944497 138206270 /nfs/dbraw/zinc/20/62/70/138206270.db2.gz MPZJUIXWQOKKMO-UHFFFAOYSA-N 2 2 343.431 1.927 20 0 EDADLP CC1CC[NH+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000073659316 138220065 /nfs/dbraw/zinc/22/00/65/138220065.db2.gz KCOBNLPKTLMWMX-QGZVFWFLSA-N 2 2 338.496 1.225 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000077930985 138255933 /nfs/dbraw/zinc/25/59/33/138255933.db2.gz AKFYGVLZJLMQRX-GOSISDBHSA-N 2 2 346.475 1.455 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091670458 138284285 /nfs/dbraw/zinc/28/42/85/138284285.db2.gz AZAVBTYQXJMWJS-UHFFFAOYSA-N 2 2 336.480 1.978 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000105828301 138301977 /nfs/dbraw/zinc/30/19/77/138301977.db2.gz XOFFQSIWBWDCPP-QGZVFWFLSA-N 2 2 333.480 1.329 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000105828301 138301978 /nfs/dbraw/zinc/30/19/78/138301978.db2.gz XOFFQSIWBWDCPP-QGZVFWFLSA-N 2 2 333.480 1.329 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105828301 138301979 /nfs/dbraw/zinc/30/19/79/138301979.db2.gz XOFFQSIWBWDCPP-QGZVFWFLSA-N 2 2 333.480 1.329 20 0 EDADLP Cc1[nH]ncc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092427200 138288743 /nfs/dbraw/zinc/28/87/43/138288743.db2.gz QNLDFFUNKUDWPA-UHFFFAOYSA-N 2 2 335.496 1.634 20 0 EDADLP CCCn1nc(C)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1C ZINC000093820920 138294817 /nfs/dbraw/zinc/29/48/17/138294817.db2.gz BPALCCKYOWPYOO-SFHVURJKSA-N 2 2 347.507 1.648 20 0 EDADLP CCCn1nc(C)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1C ZINC000093820920 138294818 /nfs/dbraw/zinc/29/48/18/138294818.db2.gz BPALCCKYOWPYOO-SFHVURJKSA-N 2 2 347.507 1.648 20 0 EDADLP C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000109163812 138305756 /nfs/dbraw/zinc/30/57/56/138305756.db2.gz OHMYWUHLSRMABS-MRXNPFEDSA-N 2 2 332.448 1.021 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(C)(C)C[NH+](C)C ZINC000122969888 138318478 /nfs/dbraw/zinc/31/84/78/138318478.db2.gz OFIRCPQVQPZXOC-HUUCEWRRSA-N 2 2 333.480 1.936 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000124211985 138324832 /nfs/dbraw/zinc/32/48/32/138324832.db2.gz GXNBXXXZFWQMAQ-CQSZACIVSA-N 2 2 340.493 1.180 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000131374344 138358713 /nfs/dbraw/zinc/35/87/13/138358713.db2.gz IKRTWYPVFMBNQO-ZWKOTPCHSA-N 2 2 331.460 1.004 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000131374344 138358716 /nfs/dbraw/zinc/35/87/16/138358716.db2.gz IKRTWYPVFMBNQO-ZWKOTPCHSA-N 2 2 331.460 1.004 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)cn2c1 ZINC000131186264 138353417 /nfs/dbraw/zinc/35/34/17/138353417.db2.gz BGANIFLOERZFIQ-QGZVFWFLSA-N 2 2 341.459 1.557 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)cn2c1 ZINC000131186264 138353420 /nfs/dbraw/zinc/35/34/20/138353420.db2.gz BGANIFLOERZFIQ-QGZVFWFLSA-N 2 2 341.459 1.557 20 0 EDADLP COC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133462233 138393841 /nfs/dbraw/zinc/39/38/41/138393841.db2.gz OILWMDVQUIMQAR-QGZVFWFLSA-N 2 2 346.475 1.479 20 0 EDADLP COC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133462233 138393844 /nfs/dbraw/zinc/39/38/44/138393844.db2.gz OILWMDVQUIMQAR-QGZVFWFLSA-N 2 2 346.475 1.479 20 0 EDADLP CCCN1C(=O)CC[C@H](C(=O)N[C@H](C)C[NH+](C)C)[C@@H]1c1c[nH+]cn1C ZINC000346187733 283312782 /nfs/dbraw/zinc/31/27/82/283312782.db2.gz FQFZHWFEAKCQKR-JKIFEVAISA-N 2 2 349.479 1.176 20 0 EDADLP O=C(C[N@@H+]1CCC=C(c2ccccn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000563895512 306351884 /nfs/dbraw/zinc/35/18/84/306351884.db2.gz ULRCBKNHLGZWQZ-UHFFFAOYSA-N 2 2 340.471 1.914 20 0 EDADLP O=C(C[N@H+]1CCC=C(c2ccccn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000563895512 306351885 /nfs/dbraw/zinc/35/18/85/306351885.db2.gz ULRCBKNHLGZWQZ-UHFFFAOYSA-N 2 2 340.471 1.914 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000187795541 236302587 /nfs/dbraw/zinc/30/25/87/236302587.db2.gz ZHNIGZKBJAQDCG-MRXNPFEDSA-N 2 2 347.463 1.011 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)C[C@H](C)O1 ZINC000564202580 306356577 /nfs/dbraw/zinc/35/65/77/306356577.db2.gz QNEFBOBKBCJNMP-JTDSTZFVSA-N 2 2 344.459 1.432 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)C[C@H](C)O1 ZINC000564202580 306356578 /nfs/dbraw/zinc/35/65/78/306356578.db2.gz QNEFBOBKBCJNMP-JTDSTZFVSA-N 2 2 344.459 1.432 20 0 EDADLP Cn1cc(CCC[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000564847107 306367096 /nfs/dbraw/zinc/36/70/96/306367096.db2.gz IWICFTHRCUNTDN-LJQANCHMSA-N 2 2 328.460 1.362 20 0 EDADLP Cn1cc(CCC[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000564847107 306367097 /nfs/dbraw/zinc/36/70/97/306367097.db2.gz IWICFTHRCUNTDN-LJQANCHMSA-N 2 2 328.460 1.362 20 0 EDADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CS(C)(=O)=O)CC2)oc1C ZINC000182956676 138780037 /nfs/dbraw/zinc/78/00/37/138780037.db2.gz JODVNFKUPCBBHU-LBPRGKRZSA-N 2 2 343.493 1.526 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414048796 304098455 /nfs/dbraw/zinc/09/84/55/304098455.db2.gz GNLZHJOHSMTFNB-UHFFFAOYSA-N 2 2 336.480 1.966 20 0 EDADLP COC(=O)c1cc(C(C)C)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565706441 306389016 /nfs/dbraw/zinc/38/90/16/306389016.db2.gz ZUYWWTFZDFFPSS-CQSZACIVSA-N 2 2 348.447 1.703 20 0 EDADLP COC(=O)c1cc(C(C)C)ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565706441 306389017 /nfs/dbraw/zinc/38/90/17/306389017.db2.gz ZUYWWTFZDFFPSS-CQSZACIVSA-N 2 2 348.447 1.703 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000565710387 306389297 /nfs/dbraw/zinc/38/92/97/306389297.db2.gz MFJFCONELRPZPJ-IUODEOHRSA-N 2 2 341.452 1.596 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414343530 304108983 /nfs/dbraw/zinc/10/89/83/304108983.db2.gz QSJIGMSFJJVXGQ-LBPRGKRZSA-N 2 2 341.358 1.438 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414343530 304108984 /nfs/dbraw/zinc/10/89/84/304108984.db2.gz QSJIGMSFJJVXGQ-LBPRGKRZSA-N 2 2 341.358 1.438 20 0 EDADLP C[NH+](C)CC(=O)N1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000132226716 223311601 /nfs/dbraw/zinc/31/16/01/223311601.db2.gz LTGJCPNNGJOUGW-UHFFFAOYSA-N 2 2 341.459 1.137 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000342775184 283785601 /nfs/dbraw/zinc/78/56/01/283785601.db2.gz ARDQYBCFPFMYAL-HZPDHXFCSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCC[NH2+]1 ZINC000180988809 291362621 /nfs/dbraw/zinc/36/26/21/291362621.db2.gz KVTCZLKGFRVITI-IEBWSBKVSA-N 2 2 331.460 1.708 20 0 EDADLP COc1ccc(OCc2ccccn2)c(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415072966 304157481 /nfs/dbraw/zinc/15/74/81/304157481.db2.gz XQRZXBFGOZLRMP-INIZCTEOSA-N 2 2 331.416 1.421 20 0 EDADLP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415072966 304157483 /nfs/dbraw/zinc/15/74/83/304157483.db2.gz XQRZXBFGOZLRMP-INIZCTEOSA-N 2 2 331.416 1.421 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000236885615 139034008 /nfs/dbraw/zinc/03/40/08/139034008.db2.gz JGAVEBMECVNDKJ-LSDHHAIUSA-N 2 2 331.464 1.684 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000236979509 139037146 /nfs/dbraw/zinc/03/71/46/139037146.db2.gz ASOKQBLQGZKUKK-SJORKVTESA-N 2 2 331.460 1.857 20 0 EDADLP COCC[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000237158298 139042586 /nfs/dbraw/zinc/04/25/86/139042586.db2.gz IIRIBOILFYGDPI-UHFFFAOYSA-N 2 2 339.867 1.610 20 0 EDADLP COCC[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000237158298 139042587 /nfs/dbraw/zinc/04/25/87/139042587.db2.gz IIRIBOILFYGDPI-UHFFFAOYSA-N 2 2 339.867 1.610 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CC23CCSCC3)C[C@@H](C)O1 ZINC000567378277 306449803 /nfs/dbraw/zinc/44/98/03/306449803.db2.gz VTDLXFHEBOJJSU-LVQVYYBASA-N 2 2 328.522 1.579 20 0 EDADLP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000237591751 139054972 /nfs/dbraw/zinc/05/49/72/139054972.db2.gz XXFJYLAFOMEDGZ-INIZCTEOSA-N 2 2 335.473 1.471 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCCCC3)c[nH+]2)C[C@H](C)O1 ZINC000237660117 139057201 /nfs/dbraw/zinc/05/72/01/139057201.db2.gz KEMBZBBBHKXNDY-GASCZTMLSA-N 2 2 346.475 1.973 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3CC[NH2+]CC3)c[nH+]2)C[C@H](C)O1 ZINC000237660212 139057281 /nfs/dbraw/zinc/05/72/81/139057281.db2.gz XDCSFABQXNGWIK-OKILXGFUSA-N 2 2 332.448 1.311 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000081034818 217353810 /nfs/dbraw/zinc/35/38/10/217353810.db2.gz YCTZLZBSPSGJQS-UHFFFAOYSA-N 2 2 342.443 1.668 20 0 EDADLP [NH3+]C1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCCC1 ZINC000237928365 139064042 /nfs/dbraw/zinc/06/40/42/139064042.db2.gz IXCOYHFIFZPCTN-UHFFFAOYSA-N 2 2 347.459 1.285 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)[C@@H]1COCC[NH2+]1 ZINC000238046844 139067511 /nfs/dbraw/zinc/06/75/11/139067511.db2.gz NDKPOWTYHIRJGQ-INIZCTEOSA-N 2 2 328.416 1.121 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000238057264 139067765 /nfs/dbraw/zinc/06/77/65/139067765.db2.gz YSDUXFYGHFXLAC-MRXNPFEDSA-N 2 2 344.484 1.837 20 0 EDADLP [NH3+]CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000238054188 139067866 /nfs/dbraw/zinc/06/78/66/139067866.db2.gz DIXMPKZIVRCXQG-QGZVFWFLSA-N 2 2 331.460 1.523 20 0 EDADLP [NH3+]CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC000238054188 139067867 /nfs/dbraw/zinc/06/78/67/139067867.db2.gz DIXMPKZIVRCXQG-QGZVFWFLSA-N 2 2 331.460 1.523 20 0 EDADLP [NH3+]Cc1nc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000238051658 139067646 /nfs/dbraw/zinc/06/76/46/139067646.db2.gz APSUCANZAQMHRI-UHFFFAOYSA-N 2 2 332.429 1.686 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC[C@@H]21 ZINC000245556706 139079433 /nfs/dbraw/zinc/07/94/33/139079433.db2.gz SDCRRNCZBWIOFR-IKGGRYGDSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC[C@@H]21 ZINC000245556706 139079434 /nfs/dbraw/zinc/07/94/34/139079434.db2.gz SDCRRNCZBWIOFR-IKGGRYGDSA-N 2 2 343.475 1.786 20 0 EDADLP CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000246449866 139108823 /nfs/dbraw/zinc/10/88/23/139108823.db2.gz XPVJXGAEYBWSLC-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000246449866 139108824 /nfs/dbraw/zinc/10/88/24/139108824.db2.gz XPVJXGAEYBWSLC-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC3([NH3+])CCCCCC3)ccc2[nH+]1 ZINC000415310354 304191276 /nfs/dbraw/zinc/19/12/76/304191276.db2.gz CEEACNQKNLXURQ-UHFFFAOYSA-N 2 2 343.431 1.749 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCOC1=O ZINC000247082417 139134961 /nfs/dbraw/zinc/13/49/61/139134961.db2.gz QZSHNBUOBYLUMS-NVXWUHKLSA-N 2 2 332.448 1.724 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCOC1=O ZINC000247082417 139134962 /nfs/dbraw/zinc/13/49/62/139134962.db2.gz QZSHNBUOBYLUMS-NVXWUHKLSA-N 2 2 332.448 1.724 20 0 EDADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC[NH2+]C)c1 ZINC000415354047 304201886 /nfs/dbraw/zinc/20/18/86/304201886.db2.gz BFMQGXLWUIGMGI-UHFFFAOYSA-N 2 2 343.431 1.624 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000247177469 139139156 /nfs/dbraw/zinc/13/91/56/139139156.db2.gz YWXNQEIIYGPXFP-RLLQIKCJSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000247177469 139139157 /nfs/dbraw/zinc/13/91/57/139139157.db2.gz YWXNQEIIYGPXFP-RLLQIKCJSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247177469 139139158 /nfs/dbraw/zinc/13/91/58/139139158.db2.gz YWXNQEIIYGPXFP-RLLQIKCJSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247177469 139139159 /nfs/dbraw/zinc/13/91/59/139139159.db2.gz YWXNQEIIYGPXFP-RLLQIKCJSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000247176117 139138933 /nfs/dbraw/zinc/13/89/33/139138933.db2.gz YWXNQEIIYGPXFP-DFQSSKMNSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000247176117 139138934 /nfs/dbraw/zinc/13/89/34/139138934.db2.gz YWXNQEIIYGPXFP-DFQSSKMNSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247176117 139138935 /nfs/dbraw/zinc/13/89/35/139138935.db2.gz YWXNQEIIYGPXFP-DFQSSKMNSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247176117 139138936 /nfs/dbraw/zinc/13/89/36/139138936.db2.gz YWXNQEIIYGPXFP-DFQSSKMNSA-N 2 2 346.519 1.992 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)n1 ZINC000247577296 139152646 /nfs/dbraw/zinc/15/26/46/139152646.db2.gz SJIMGIGSGHYTHA-HOTGVXAUSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)n1 ZINC000247577296 139152647 /nfs/dbraw/zinc/15/26/47/139152647.db2.gz SJIMGIGSGHYTHA-HOTGVXAUSA-N 2 2 331.464 1.333 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000248036616 139157443 /nfs/dbraw/zinc/15/74/43/139157443.db2.gz RRDJMOBFLYQLAA-UYAOXDASSA-N 3 2 345.535 1.519 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000248036616 139157444 /nfs/dbraw/zinc/15/74/44/139157444.db2.gz RRDJMOBFLYQLAA-UYAOXDASSA-N 3 2 345.535 1.519 20 0 EDADLP CCN(C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248905763 139180138 /nfs/dbraw/zinc/18/01/38/139180138.db2.gz YLLJDYRHTUZVHZ-PMACEKPBSA-N 2 2 347.503 1.276 20 0 EDADLP CCN(C[C@@H](O)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248905763 139180139 /nfs/dbraw/zinc/18/01/39/139180139.db2.gz YLLJDYRHTUZVHZ-PMACEKPBSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000112201797 220259644 /nfs/dbraw/zinc/25/96/44/220259644.db2.gz ZGVZZNAXJMSYGC-DLBZAZTESA-N 2 2 349.519 1.820 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000112201797 220259646 /nfs/dbraw/zinc/25/96/46/220259646.db2.gz ZGVZZNAXJMSYGC-DLBZAZTESA-N 2 2 349.519 1.820 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261800185 139227132 /nfs/dbraw/zinc/22/71/32/139227132.db2.gz VRZXPSRCPDYROL-KZULUSFZSA-N 2 2 348.447 1.651 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261800185 139227133 /nfs/dbraw/zinc/22/71/33/139227133.db2.gz VRZXPSRCPDYROL-KZULUSFZSA-N 2 2 348.447 1.651 20 0 EDADLP Cn1ncc(Cl)c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261813241 139228225 /nfs/dbraw/zinc/22/82/25/139228225.db2.gz HTWCLEFJOMFAME-GXTWGEPZSA-N 2 2 339.871 1.154 20 0 EDADLP Cn1ncc(Cl)c1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261813241 139228226 /nfs/dbraw/zinc/22/82/26/139228226.db2.gz HTWCLEFJOMFAME-GXTWGEPZSA-N 2 2 339.871 1.154 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261893802 139234675 /nfs/dbraw/zinc/23/46/75/139234675.db2.gz CONKKOQRAXUIOJ-LLVKDONJSA-N 2 2 330.354 1.794 20 0 EDADLP C[C@]1(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]C1 ZINC000261885165 139233928 /nfs/dbraw/zinc/23/39/28/139233928.db2.gz RSCPDMCUDGFTDN-CVEARBPZSA-N 2 2 329.510 1.312 20 0 EDADLP C[C@]1(C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]C1 ZINC000261885165 139233929 /nfs/dbraw/zinc/23/39/29/139233929.db2.gz RSCPDMCUDGFTDN-CVEARBPZSA-N 2 2 329.510 1.312 20 0 EDADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261911319 139236326 /nfs/dbraw/zinc/23/63/26/139236326.db2.gz JCMPSRIEYHQNGH-YNEHKIRRSA-N 2 2 332.370 1.692 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000262285031 139266601 /nfs/dbraw/zinc/26/66/01/139266601.db2.gz VGBZHWOSPJHYHI-IDHHARJASA-N 2 2 344.459 1.263 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000262303443 139268221 /nfs/dbraw/zinc/26/82/21/139268221.db2.gz XUZHTQIWNOWHMK-QFBILLFUSA-N 2 2 346.475 1.258 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000262323807 139270329 /nfs/dbraw/zinc/27/03/29/139270329.db2.gz ROKZIIVCJOWGQO-CPUCHLNUSA-N 2 2 333.432 1.395 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2C[C@H](C)[C@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000417005288 251126640 /nfs/dbraw/zinc/12/66/40/251126640.db2.gz XSUCCYLOEZGDCA-JQHSSLGASA-N 2 2 346.475 1.357 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[NH+]1CCC(C)CC1 ZINC000417311460 251153215 /nfs/dbraw/zinc/15/32/15/251153215.db2.gz LXONNRCUNPNFSD-KBPBESRZSA-N 2 2 332.439 1.651 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CC[NH2+]1 ZINC000262434735 139278822 /nfs/dbraw/zinc/27/88/22/139278822.db2.gz SBQZFASCBPOPSW-JKQORVJESA-N 2 2 346.475 1.700 20 0 EDADLP C[NH2+][C@@H](C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cnn(C)c1 ZINC000262418860 139277854 /nfs/dbraw/zinc/27/78/54/139277854.db2.gz ROQKZZZKNWJEBH-CQSZACIVSA-N 2 2 332.795 1.298 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000417809085 251278898 /nfs/dbraw/zinc/27/88/98/251278898.db2.gz AUZMFXIJNDXMBW-CYBMUJFWSA-N 2 2 330.436 1.893 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944239 251316913 /nfs/dbraw/zinc/31/69/13/251316913.db2.gz CCVZYEBLSPJCFZ-NBLIUIFLSA-N 2 2 326.391 1.745 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944239 251316917 /nfs/dbraw/zinc/31/69/17/251316917.db2.gz CCVZYEBLSPJCFZ-NBLIUIFLSA-N 2 2 326.391 1.745 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262515856 139283703 /nfs/dbraw/zinc/28/37/03/139283703.db2.gz SDEPFFGJCPTTOR-AWEZNQCLSA-N 2 2 334.439 1.204 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)N(CC[NH3+])CCO)ccc2n1C1CC1 ZINC000418166106 251351200 /nfs/dbraw/zinc/35/12/00/251351200.db2.gz YZSZLKQLLDHEAE-UHFFFAOYSA-N 2 2 345.447 1.396 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000418719322 251396535 /nfs/dbraw/zinc/39/65/35/251396535.db2.gz FEPNWZURRKVYKP-UONOGXRCSA-N 2 2 330.423 1.501 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)CC[NH3+])CC2)cc1F ZINC000418526447 251376383 /nfs/dbraw/zinc/37/63/83/251376383.db2.gz NBJNYMKKAUMNMC-CYBMUJFWSA-N 2 2 338.427 1.399 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000418640464 251382627 /nfs/dbraw/zinc/38/26/27/251382627.db2.gz OHWNTKBNKXZKAJ-LBPRGKRZSA-N 2 2 325.482 1.277 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000418640464 251382629 /nfs/dbraw/zinc/38/26/29/251382629.db2.gz OHWNTKBNKXZKAJ-LBPRGKRZSA-N 2 2 325.482 1.277 20 0 EDADLP [NH3+][C@@H](CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000420180605 251633583 /nfs/dbraw/zinc/63/35/83/251633583.db2.gz BUVDXAJLVVCPSU-HOTGVXAUSA-N 2 2 327.432 1.940 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262841405 139307191 /nfs/dbraw/zinc/30/71/91/139307191.db2.gz UAZYSEROPRIFNM-LSDHHAIUSA-N 2 2 340.431 1.211 20 0 EDADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422856998 252002313 /nfs/dbraw/zinc/00/23/13/252002313.db2.gz GIEMHUBUZHHPSA-IRXDYDNUSA-N 2 2 339.505 1.741 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423066575 252032134 /nfs/dbraw/zinc/03/21/34/252032134.db2.gz XGRKRPPAUAQWEV-CEXWTWQISA-N 2 2 345.487 1.780 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423066575 252032138 /nfs/dbraw/zinc/03/21/38/252032138.db2.gz XGRKRPPAUAQWEV-CEXWTWQISA-N 2 2 345.487 1.780 20 0 EDADLP COCC[NH2+]CC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000423343951 252047913 /nfs/dbraw/zinc/04/79/13/252047913.db2.gz WOGZDUDECNGDSF-CQSZACIVSA-N 2 2 341.477 1.113 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(COC)CCC[NH2+]2)[C@@H]1Oc1ccccc1 ZINC000423414194 252053731 /nfs/dbraw/zinc/05/37/31/252053731.db2.gz MDXCUYRVHURXDL-RDGPPVDQSA-N 2 2 334.460 1.970 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423670190 252065951 /nfs/dbraw/zinc/06/59/51/252065951.db2.gz LXTXZAFTOGZMOS-ZWKOTPCHSA-N 2 2 331.460 1.491 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422992456 252023459 /nfs/dbraw/zinc/02/34/59/252023459.db2.gz CMSXQGPVAXGWAG-NWDGAFQWSA-N 2 2 333.354 1.836 20 0 EDADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000423799582 252081017 /nfs/dbraw/zinc/08/10/17/252081017.db2.gz KQPGYNVVDRCWJZ-RDJZCZTQSA-N 2 2 349.438 1.828 20 0 EDADLP CC(C)n1cncc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000424154308 252147912 /nfs/dbraw/zinc/14/79/12/252147912.db2.gz LIKIYVGPOTYRGN-UHFFFAOYSA-N 2 2 328.464 1.901 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000424217531 252165491 /nfs/dbraw/zinc/16/54/91/252165491.db2.gz MBXIVTTWNFLTRZ-KRWDZBQOSA-N 2 2 331.460 1.270 20 0 EDADLP COC(=O)C1(C)C[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000424133019 252136202 /nfs/dbraw/zinc/13/62/02/252136202.db2.gz LOZUGXXJRBKQRH-CQSZACIVSA-N 2 2 331.416 1.509 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000424340854 252197402 /nfs/dbraw/zinc/19/74/02/252197402.db2.gz YZUNMISBMFMUJA-BMGDILEWSA-N 2 2 348.466 1.722 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCCS(C)(=O)=O)[C@H]2CCC[NH2+]2)cc1 ZINC000424369576 252201404 /nfs/dbraw/zinc/20/14/04/252201404.db2.gz CQWVRWGDWLZDIJ-IAGOWNOFSA-N 2 2 340.489 1.903 20 0 EDADLP O=C1[C@@H]([NH2+][C@H]2CCc3ccccc32)CCCN1CC[NH+]1CCOCC1 ZINC000374743402 284981382 /nfs/dbraw/zinc/98/13/82/284981382.db2.gz MZJBMTUSIMXOKV-OALUTQOASA-N 2 2 343.471 1.587 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CN1CC[NH+]1CCOCC1 ZINC000246513608 296348137 /nfs/dbraw/zinc/34/81/37/296348137.db2.gz UFGKVZWRXYSATG-KSZLIROESA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000263191793 139327554 /nfs/dbraw/zinc/32/75/54/139327554.db2.gz IAKLQUJBXPQFQK-AWEZNQCLSA-N 2 2 331.407 1.087 20 0 EDADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181044125 533112341 /nfs/dbraw/zinc/11/23/41/533112341.db2.gz NTHBMXOBFHEQRD-NVXWUHKLSA-N 2 2 347.459 1.279 20 0 EDADLP CCc1nnc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nc1CC ZINC000428153960 254506266 /nfs/dbraw/zinc/50/62/66/254506266.db2.gz WSWKLLGWRSLDDB-UHFFFAOYSA-N 2 2 346.523 1.991 20 0 EDADLP CCOC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000489079709 255063805 /nfs/dbraw/zinc/06/38/05/255063805.db2.gz SIMWSFBDOVBCGJ-PMRDEQMMSA-N 2 2 338.496 1.364 20 0 EDADLP CCOC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000489079709 255063806 /nfs/dbraw/zinc/06/38/06/255063806.db2.gz SIMWSFBDOVBCGJ-PMRDEQMMSA-N 2 2 338.496 1.364 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415785404 304270051 /nfs/dbraw/zinc/27/00/51/304270051.db2.gz GTJRPMSLBWDJHL-VIFPVBQESA-N 2 2 344.257 1.887 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[C@@H](C[NH3+])C2)[nH+]cc1Br ZINC000415784843 304270101 /nfs/dbraw/zinc/27/01/01/304270101.db2.gz FXDFJQKHMQDEIY-VIFPVBQESA-N 2 2 342.241 1.723 20 0 EDADLP CN1CC[NH+](CC2(C)CCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)CC1 ZINC000493826055 255223283 /nfs/dbraw/zinc/22/32/83/255223283.db2.gz QSFOAINHVYNSSK-ONEGZZNKSA-N 2 2 331.464 1.299 20 0 EDADLP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000495890308 255334782 /nfs/dbraw/zinc/33/47/82/255334782.db2.gz ZBSDBAISYLDSDO-LBPRGKRZSA-N 2 2 325.457 1.737 20 0 EDADLP O=C1OCCN1c1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000496287890 255375641 /nfs/dbraw/zinc/37/56/41/255375641.db2.gz YYQBUOUAKVEPHG-IRXDYDNUSA-N 2 2 331.416 1.500 20 0 EDADLP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000263989418 139374255 /nfs/dbraw/zinc/37/42/55/139374255.db2.gz FUNIYYJIPVYMLG-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000263989418 139374256 /nfs/dbraw/zinc/37/42/56/139374256.db2.gz FUNIYYJIPVYMLG-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000264057151 139378339 /nfs/dbraw/zinc/37/83/39/139378339.db2.gz ANWQUNQSINTAOS-UHFFFAOYSA-N 2 2 341.459 1.926 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000262661494 285323807 /nfs/dbraw/zinc/32/38/07/285323807.db2.gz YJNILWTVCGPFLW-GOSISDBHSA-N 2 2 346.519 1.814 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000119603038 221357513 /nfs/dbraw/zinc/35/75/13/221357513.db2.gz RRGWSSQUCJUIDT-UHFFFAOYSA-N 2 2 332.404 1.116 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000119634721 221365125 /nfs/dbraw/zinc/36/51/25/221365125.db2.gz IMSKVGXYIUCQRW-MGPQQGTHSA-N 2 2 348.447 1.511 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000264193950 139385875 /nfs/dbraw/zinc/38/58/75/139385875.db2.gz NJVDDAYQZMXJEH-UHFFFAOYSA-N 2 2 328.416 1.415 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000269829535 140002306 /nfs/dbraw/zinc/00/23/06/140002306.db2.gz RPJCJAXPXZVRTQ-HNNXBMFYSA-N 2 2 332.347 1.419 20 0 EDADLP COc1ccc2oc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cc2c1 ZINC000270654876 140142022 /nfs/dbraw/zinc/14/20/22/140142022.db2.gz RRRGZSMHBZAYGJ-INIZCTEOSA-N 2 2 331.416 1.871 20 0 EDADLP COc1ccc2oc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cc2c1 ZINC000270654876 140142023 /nfs/dbraw/zinc/14/20/23/140142023.db2.gz RRRGZSMHBZAYGJ-INIZCTEOSA-N 2 2 331.416 1.871 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)nc[nH+]1 ZINC000329298341 140705577 /nfs/dbraw/zinc/70/55/77/140705577.db2.gz UHAXONHTWQIRJW-BQGCOEIASA-N 2 2 331.464 1.890 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000331423557 141024002 /nfs/dbraw/zinc/02/40/02/141024002.db2.gz RXRWXXPIVVYCBN-HNNXBMFYSA-N 2 2 332.448 1.135 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)s1 ZINC000572111737 306581401 /nfs/dbraw/zinc/58/14/01/306581401.db2.gz NVPKXGKPIKVIAQ-WCQYABFASA-N 2 2 331.507 1.373 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000332311283 141160365 /nfs/dbraw/zinc/16/03/65/141160365.db2.gz MTRKNCSIVWPBQH-UHFFFAOYSA-N 2 2 349.479 1.208 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000332311283 141160366 /nfs/dbraw/zinc/16/03/66/141160366.db2.gz MTRKNCSIVWPBQH-UHFFFAOYSA-N 2 2 349.479 1.208 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332655866 141224091 /nfs/dbraw/zinc/22/40/91/141224091.db2.gz NIWMYZDDWCPKPX-SUMWQHHRSA-N 2 2 325.453 1.003 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332655866 141224092 /nfs/dbraw/zinc/22/40/92/141224092.db2.gz NIWMYZDDWCPKPX-SUMWQHHRSA-N 2 2 325.453 1.003 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000332932704 141245433 /nfs/dbraw/zinc/24/54/33/141245433.db2.gz HZRFKEJMLKVLKN-HZPDHXFCSA-N 2 2 349.479 1.102 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C[C@H]21 ZINC000333127112 141268392 /nfs/dbraw/zinc/26/83/92/141268392.db2.gz BEOLVRJAVDFTLN-KLHDSHLOSA-N 2 2 329.448 1.429 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC([C@H]4CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000333131005 141268964 /nfs/dbraw/zinc/26/89/64/141268964.db2.gz AZZPKONNPMOREO-WBVHZDCISA-N 2 2 345.491 1.511 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC([C@H]4CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000333131005 141268965 /nfs/dbraw/zinc/26/89/65/141268965.db2.gz AZZPKONNPMOREO-WBVHZDCISA-N 2 2 345.491 1.511 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1=CC[N@H+](C)CC1 ZINC000333450987 141319031 /nfs/dbraw/zinc/31/90/31/141319031.db2.gz NPIBOXGDHHJYSM-YSVLISHTSA-N 2 2 347.463 1.590 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1=CC[N@@H+](C)CC1 ZINC000333450987 141319032 /nfs/dbraw/zinc/31/90/32/141319032.db2.gz NPIBOXGDHHJYSM-YSVLISHTSA-N 2 2 347.463 1.590 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000333486600 141325100 /nfs/dbraw/zinc/32/51/00/141325100.db2.gz CTQWEIPPRHLLNL-IRXDYDNUSA-N 2 2 338.496 1.400 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)cs1 ZINC000333496647 141326879 /nfs/dbraw/zinc/32/68/79/141326879.db2.gz DZODKCXMRJXRDH-CQSZACIVSA-N 2 2 337.493 1.421 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)cs1 ZINC000333496647 141326880 /nfs/dbraw/zinc/32/68/80/141326880.db2.gz DZODKCXMRJXRDH-CQSZACIVSA-N 2 2 337.493 1.421 20 0 EDADLP [NH3+]C1(CNC(=O)N2CCn3c[nH+]cc3C2)C2CC3CC(C2)CC1C3 ZINC000333620348 141345878 /nfs/dbraw/zinc/34/58/78/141345878.db2.gz ZJHQUVBKISSQQE-UHFFFAOYSA-N 2 2 329.448 1.562 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000333831627 141390254 /nfs/dbraw/zinc/39/02/54/141390254.db2.gz MQAKYGDOCBUHHZ-AWEZNQCLSA-N 2 2 337.493 1.278 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)s1 ZINC000333874933 141399545 /nfs/dbraw/zinc/39/95/45/141399545.db2.gz VESRNRSSZJSAGZ-TZMCWYRMSA-N 2 2 337.493 1.419 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1C ZINC000339484173 142057531 /nfs/dbraw/zinc/05/75/31/142057531.db2.gz YCZHBKHMZPCORY-XYPWUTKMSA-N 2 2 331.464 1.112 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1C ZINC000339484173 142057533 /nfs/dbraw/zinc/05/75/33/142057533.db2.gz YCZHBKHMZPCORY-XYPWUTKMSA-N 2 2 331.464 1.112 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1CCCn2cc[nH+]c21)C(C)C ZINC000339613073 142093993 /nfs/dbraw/zinc/09/39/93/142093993.db2.gz HZZLNBBQNNFUEX-OAHLLOKOSA-N 2 2 349.479 1.112 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000345046551 143043294 /nfs/dbraw/zinc/04/32/94/143043294.db2.gz JLRKSIDOHPZWJN-ZACQAIPSSA-N 2 2 346.475 1.381 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000345281749 143072867 /nfs/dbraw/zinc/07/28/67/143072867.db2.gz DUUAZUICZPCADQ-UHFFFAOYSA-N 2 2 340.512 1.214 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000345281749 143072868 /nfs/dbraw/zinc/07/28/68/143072868.db2.gz DUUAZUICZPCADQ-UHFFFAOYSA-N 2 2 340.512 1.214 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000346147179 143172384 /nfs/dbraw/zinc/17/23/84/143172384.db2.gz IZAMPMLJGJVMLT-IYBDPMFKSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000346147179 143172385 /nfs/dbraw/zinc/17/23/85/143172385.db2.gz IZAMPMLJGJVMLT-IYBDPMFKSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000346422740 143203268 /nfs/dbraw/zinc/20/32/68/143203268.db2.gz RKZIALMNFBWDAD-WBVHZDCISA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000346422740 143203269 /nfs/dbraw/zinc/20/32/69/143203269.db2.gz RKZIALMNFBWDAD-WBVHZDCISA-N 2 2 346.475 1.069 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000346847076 143251202 /nfs/dbraw/zinc/25/12/02/143251202.db2.gz DSVPXXAUIURNKP-IRXDYDNUSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000346847076 143251203 /nfs/dbraw/zinc/25/12/03/143251203.db2.gz DSVPXXAUIURNKP-IRXDYDNUSA-N 2 2 338.496 1.223 20 0 EDADLP Cn1nccc1[C@H]1[C@@H]([NH2+]CCCn2cc[nH+]c2)CC(=O)N1C1CC1 ZINC000346878162 143255068 /nfs/dbraw/zinc/25/50/68/143255068.db2.gz GZOLPXDKWVHVFC-WMLDXEAASA-N 2 2 328.420 1.101 20 0 EDADLP c1ccc(-n2nnnc2CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000572987441 306607301 /nfs/dbraw/zinc/60/73/01/306607301.db2.gz FGMNVBJHPRTFCH-UHFFFAOYSA-N 2 2 349.442 1.858 20 0 EDADLP [NH3+][C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000416818277 304349824 /nfs/dbraw/zinc/34/98/24/304349824.db2.gz IJGFGYSXYALGLM-KBPBESRZSA-N 2 2 338.477 1.158 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000369873536 155213178 /nfs/dbraw/zinc/21/31/78/155213178.db2.gz OPLKXECVLQEKEP-INIZCTEOSA-N 2 2 329.448 1.418 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH3+])[NH+]2CCOCC2)s1 ZINC000417842173 292200051 /nfs/dbraw/zinc/20/00/51/292200051.db2.gz XUWYSAOMDYWJMP-WCQYABFASA-N 2 2 326.466 1.076 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)NCc2cccnc2)[nH+]1 ZINC000369899642 155222044 /nfs/dbraw/zinc/22/20/44/155222044.db2.gz ITUIEXXUULMMES-KRWDZBQOSA-N 2 2 339.443 1.978 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NCc2cccnc2)[nH+]1 ZINC000369899642 155222061 /nfs/dbraw/zinc/22/20/61/155222061.db2.gz ITUIEXXUULMMES-KRWDZBQOSA-N 2 2 339.443 1.978 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000352896282 149207450 /nfs/dbraw/zinc/20/74/50/149207450.db2.gz ABXPPQHHWKFCGF-SOLBZPMBSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000352896282 149207452 /nfs/dbraw/zinc/20/74/52/149207452.db2.gz ABXPPQHHWKFCGF-SOLBZPMBSA-N 2 2 348.491 1.698 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cnn(CC(F)F)c2)CCO1 ZINC000353009947 149252090 /nfs/dbraw/zinc/25/20/90/149252090.db2.gz SIGMCABCYDCIFQ-TZMCWYRMSA-N 2 2 325.363 1.892 20 0 EDADLP C[C@@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)Cn1cc[nH+]c1 ZINC000353012032 149252997 /nfs/dbraw/zinc/25/29/97/149252997.db2.gz NGRZHTQMDVZNCX-HNNXBMFYSA-N 2 2 344.463 1.281 20 0 EDADLP CCN(CC)c1ncc(C[N@H+](C)C2CC[NH+](CCO)CC2)s1 ZINC000353346040 149374524 /nfs/dbraw/zinc/37/45/24/149374524.db2.gz AFZGYRZOCORVGR-UHFFFAOYSA-N 2 2 326.510 1.878 20 0 EDADLP CCN(CC)c1ncc(C[N@@H+](C)C2CC[NH+](CCO)CC2)s1 ZINC000353346040 149374526 /nfs/dbraw/zinc/37/45/26/149374526.db2.gz AFZGYRZOCORVGR-UHFFFAOYSA-N 2 2 326.510 1.878 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)CN1CC[NH+]1CCOCC1 ZINC000353634994 149471688 /nfs/dbraw/zinc/47/16/88/149471688.db2.gz XHUQRKTWRVXDRC-OWCLPIDISA-N 2 2 327.444 1.037 20 0 EDADLP CCN(CCC[N@H+](C)C1CC[NH+](CCO)CC1)CC(F)(F)F ZINC000354863781 150001182 /nfs/dbraw/zinc/00/11/82/150001182.db2.gz YDYFYONEMKOFFG-UHFFFAOYSA-N 2 2 325.419 1.649 20 0 EDADLP CCN(CCC[N@@H+](C)C1CC[NH+](CCO)CC1)CC(F)(F)F ZINC000354863781 150001184 /nfs/dbraw/zinc/00/11/84/150001184.db2.gz YDYFYONEMKOFFG-UHFFFAOYSA-N 2 2 325.419 1.649 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000416981345 304360743 /nfs/dbraw/zinc/36/07/43/304360743.db2.gz HAXFZHZWKRDVJK-GJZGRUSLSA-N 2 2 349.479 1.623 20 0 EDADLP CSC[C@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355104255 150117612 /nfs/dbraw/zinc/11/76/12/150117612.db2.gz ISLSVRAYAAKCID-UONOGXRCSA-N 2 2 328.526 1.548 20 0 EDADLP CSC[C@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355104255 150117615 /nfs/dbraw/zinc/11/76/15/150117615.db2.gz ISLSVRAYAAKCID-UONOGXRCSA-N 2 2 328.526 1.548 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H]1C ZINC000416982091 304361187 /nfs/dbraw/zinc/36/11/87/304361187.db2.gz BBPAMCRNELAFBH-HUUCEWRRSA-N 2 2 327.432 1.823 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C[C@@H]1C[NH3+] ZINC000416985324 304361595 /nfs/dbraw/zinc/36/15/95/304361595.db2.gz QADFUOMUYXAMAA-ZBFHGGJFSA-N 2 2 347.463 1.045 20 0 EDADLP COc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000355390695 150249258 /nfs/dbraw/zinc/24/92/58/150249258.db2.gz XUEUDKMCIIEIKK-AWEZNQCLSA-N 2 2 334.416 1.578 20 0 EDADLP COc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000355390695 150249261 /nfs/dbraw/zinc/24/92/61/150249261.db2.gz XUEUDKMCIIEIKK-AWEZNQCLSA-N 2 2 334.416 1.578 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355407520 150256557 /nfs/dbraw/zinc/25/65/57/150256557.db2.gz HFVCXFLCXLLHFF-LMMKCTJWSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355407520 150256559 /nfs/dbraw/zinc/25/65/59/150256559.db2.gz HFVCXFLCXLLHFF-LMMKCTJWSA-N 2 2 345.487 1.876 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccco1 ZINC000355530770 150304569 /nfs/dbraw/zinc/30/45/69/150304569.db2.gz VNFJBGYUHFRCEL-CQSZACIVSA-N 2 2 346.435 1.133 20 0 EDADLP COCCn1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cn1 ZINC000355644853 150348689 /nfs/dbraw/zinc/34/86/89/150348689.db2.gz BBSDYAWBHHJORI-UHFFFAOYSA-N 2 2 331.420 1.255 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417041469 304365061 /nfs/dbraw/zinc/36/50/61/304365061.db2.gz PPHAXJZRWBEODC-IRXDYDNUSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000357528561 151057406 /nfs/dbraw/zinc/05/74/06/151057406.db2.gz HPYFSMAMCPLKNN-MRXNPFEDSA-N 2 2 327.363 1.970 20 0 EDADLP C[C@H]1COCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000357878549 151181509 /nfs/dbraw/zinc/18/15/09/151181509.db2.gz MHJDOKYTRQOESZ-HOTGVXAUSA-N 2 2 340.512 1.326 20 0 EDADLP C[C@H]1COCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357878549 151181510 /nfs/dbraw/zinc/18/15/10/151181510.db2.gz MHJDOKYTRQOESZ-HOTGVXAUSA-N 2 2 340.512 1.326 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358065673 151254916 /nfs/dbraw/zinc/25/49/16/151254916.db2.gz NBGUEROOOOQHNW-OAHLLOKOSA-N 2 2 328.416 1.713 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000358128856 151282321 /nfs/dbraw/zinc/28/23/21/151282321.db2.gz QSPRTAGMWSXHGW-INIZCTEOSA-N 2 2 330.436 1.170 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000358128856 151282323 /nfs/dbraw/zinc/28/23/23/151282323.db2.gz QSPRTAGMWSXHGW-INIZCTEOSA-N 2 2 330.436 1.170 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000358167896 151293411 /nfs/dbraw/zinc/29/34/11/151293411.db2.gz ZAOQIJMICXXJBI-NSISKUIASA-N 2 2 344.503 1.745 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000358167896 151293413 /nfs/dbraw/zinc/29/34/13/151293413.db2.gz ZAOQIJMICXXJBI-NSISKUIASA-N 2 2 344.503 1.745 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)[NH+](C)C ZINC000358222707 151310927 /nfs/dbraw/zinc/31/09/27/151310927.db2.gz MVIJKXTVQZGZLI-CABCVRRESA-N 2 2 337.468 1.531 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)[NH+](C)C ZINC000358222707 151310930 /nfs/dbraw/zinc/31/09/30/151310930.db2.gz MVIJKXTVQZGZLI-CABCVRRESA-N 2 2 337.468 1.531 20 0 EDADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000358256327 151318809 /nfs/dbraw/zinc/31/88/09/151318809.db2.gz RYRKIUWDHDOXPK-LRDDRELGSA-N 2 2 335.839 1.638 20 0 EDADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000358256327 151318810 /nfs/dbraw/zinc/31/88/10/151318810.db2.gz RYRKIUWDHDOXPK-LRDDRELGSA-N 2 2 335.839 1.638 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)cn1 ZINC000358309210 151332855 /nfs/dbraw/zinc/33/28/55/151332855.db2.gz UCQXYWOGVGUYIB-UHFFFAOYSA-N 2 2 348.495 1.123 20 0 EDADLP COC1(C[NH2+]CCCCN2CC[NH+](CCO)CC2)CCCCC1 ZINC000359715192 151798139 /nfs/dbraw/zinc/79/81/39/151798139.db2.gz KQDSOHMUZFSLDR-UHFFFAOYSA-N 2 2 327.513 1.315 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[NH+]2CCOCC2)cc1 ZINC000364219254 292253774 /nfs/dbraw/zinc/25/37/74/292253774.db2.gz ZQKAXAGCZWEGDQ-BJLQDIEVSA-N 2 2 343.471 1.484 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000360389522 152017108 /nfs/dbraw/zinc/01/71/08/152017108.db2.gz OFAIUANMLLFOSZ-INIZCTEOSA-N 2 2 347.507 1.504 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000360389522 152017110 /nfs/dbraw/zinc/01/71/10/152017110.db2.gz OFAIUANMLLFOSZ-INIZCTEOSA-N 2 2 347.507 1.504 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000360417134 152030541 /nfs/dbraw/zinc/03/05/41/152030541.db2.gz QQDZQLBBLWGTJK-QWQRMKEZSA-N 2 2 331.460 1.945 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000360417134 152030545 /nfs/dbraw/zinc/03/05/45/152030545.db2.gz QQDZQLBBLWGTJK-QWQRMKEZSA-N 2 2 331.460 1.945 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)C2)CC1 ZINC000360548437 152090028 /nfs/dbraw/zinc/09/00/28/152090028.db2.gz WJRVQAFPMQOCMQ-QGZVFWFLSA-N 2 2 335.492 1.432 20 0 EDADLP COc1ccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1O ZINC000360638425 152134446 /nfs/dbraw/zinc/13/44/46/152134446.db2.gz NTYDGVHEIGIMCV-UHFFFAOYSA-N 2 2 333.432 1.139 20 0 EDADLP COc1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1O ZINC000360638425 152134447 /nfs/dbraw/zinc/13/44/47/152134447.db2.gz NTYDGVHEIGIMCV-UHFFFAOYSA-N 2 2 333.432 1.139 20 0 EDADLP COc1ccc(C)cc1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360896372 152244638 /nfs/dbraw/zinc/24/46/38/152244638.db2.gz GDVFSUDJPGMNRD-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000361014340 152279870 /nfs/dbraw/zinc/27/98/70/152279870.db2.gz YPQNZBISDMTOSJ-KZNAEPCWSA-N 2 2 336.524 1.203 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000361014340 152279872 /nfs/dbraw/zinc/27/98/72/152279872.db2.gz YPQNZBISDMTOSJ-KZNAEPCWSA-N 2 2 336.524 1.203 20 0 EDADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NC1CCOCC1 ZINC000361073529 152295398 /nfs/dbraw/zinc/29/53/98/152295398.db2.gz PCIZQBMRDPHFFT-UHFFFAOYSA-N 2 2 334.464 1.671 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000361168846 152324700 /nfs/dbraw/zinc/32/47/00/152324700.db2.gz OQHZEIVMIJVXCF-AWEZNQCLSA-N 2 2 335.452 1.030 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000361168846 152324701 /nfs/dbraw/zinc/32/47/01/152324701.db2.gz OQHZEIVMIJVXCF-AWEZNQCLSA-N 2 2 335.452 1.030 20 0 EDADLP COCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245690322 292268045 /nfs/dbraw/zinc/26/80/45/292268045.db2.gz JMCJYQQHJRANFX-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP COCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245690322 292268046 /nfs/dbraw/zinc/26/80/46/292268046.db2.gz JMCJYQQHJRANFX-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417177789 304380722 /nfs/dbraw/zinc/38/07/22/304380722.db2.gz LYFGFXWJYADUFN-WMZOPIPTSA-N 2 2 348.491 1.523 20 0 EDADLP Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)NC(=O)NC3CC3)CC2)[nH+]1 ZINC000363232345 152930470 /nfs/dbraw/zinc/93/04/70/152930470.db2.gz SQPJXDQYVHKCNV-CYBMUJFWSA-N 2 2 345.447 1.643 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000363707388 153035196 /nfs/dbraw/zinc/03/51/96/153035196.db2.gz QIVCYQIRILQUKE-KBMXLJTQSA-N 2 2 333.480 1.672 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000363707388 153035198 /nfs/dbraw/zinc/03/51/98/153035198.db2.gz QIVCYQIRILQUKE-KBMXLJTQSA-N 2 2 333.480 1.672 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cn[nH]c1 ZINC000363821325 153066683 /nfs/dbraw/zinc/06/66/83/153066683.db2.gz NCASNJGQPJWSIA-BBRMVZONSA-N 2 2 334.468 1.281 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cn[nH]c1 ZINC000363821325 153066685 /nfs/dbraw/zinc/06/66/85/153066685.db2.gz NCASNJGQPJWSIA-BBRMVZONSA-N 2 2 334.468 1.281 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000364161565 153160487 /nfs/dbraw/zinc/16/04/87/153160487.db2.gz OZLPPZPDHSSDOF-PMPSAXMXSA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000364161565 153160489 /nfs/dbraw/zinc/16/04/89/153160489.db2.gz OZLPPZPDHSSDOF-PMPSAXMXSA-N 2 2 333.480 1.865 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC(=O)c3cccs3)C2)CC1 ZINC000364208812 153174383 /nfs/dbraw/zinc/17/43/83/153174383.db2.gz TULXXRYZPJTXPH-CQSZACIVSA-N 2 2 349.500 1.996 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC(=O)c3cccs3)C2)CC1 ZINC000364208812 153174386 /nfs/dbraw/zinc/17/43/86/153174386.db2.gz TULXXRYZPJTXPH-CQSZACIVSA-N 2 2 349.500 1.996 20 0 EDADLP Cc1cnn(CCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364285196 153195376 /nfs/dbraw/zinc/19/53/76/153195376.db2.gz ACCJBWHECYMNQK-KRWDZBQOSA-N 2 2 348.495 1.001 20 0 EDADLP Cc1cnn(CCNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364285196 153195378 /nfs/dbraw/zinc/19/53/78/153195378.db2.gz ACCJBWHECYMNQK-KRWDZBQOSA-N 2 2 348.495 1.001 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000364542593 153264122 /nfs/dbraw/zinc/26/41/22/153264122.db2.gz XZDSLKVVIJLYCA-BZUAXINKSA-N 2 2 344.521 1.290 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000364542593 153264124 /nfs/dbraw/zinc/26/41/24/153264124.db2.gz XZDSLKVVIJLYCA-BZUAXINKSA-N 2 2 344.521 1.290 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000364638212 153291665 /nfs/dbraw/zinc/29/16/65/153291665.db2.gz MNAWNBTWKBGANT-GOSISDBHSA-N 2 2 340.427 1.524 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000364638212 153291669 /nfs/dbraw/zinc/29/16/69/153291669.db2.gz MNAWNBTWKBGANT-GOSISDBHSA-N 2 2 340.427 1.524 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H]2CCN(C)C2=O)[C@@H]1c1cnn(C)c1 ZINC000364701795 153308659 /nfs/dbraw/zinc/30/86/59/153308659.db2.gz XZBIYYTVKQLVBN-BHYGNILZSA-N 2 2 333.480 1.356 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H]2CCN(C)C2=O)[C@@H]1c1cnn(C)c1 ZINC000364701795 153308660 /nfs/dbraw/zinc/30/86/60/153308660.db2.gz XZBIYYTVKQLVBN-BHYGNILZSA-N 2 2 333.480 1.356 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H]2CCN(C)C2=O)[C@@H]1c1cnn(C)c1 ZINC000364701795 153308663 /nfs/dbraw/zinc/30/86/63/153308663.db2.gz XZBIYYTVKQLVBN-BHYGNILZSA-N 2 2 333.480 1.356 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H]2CCN(C)C2=O)[C@@H]1c1cnn(C)c1 ZINC000364701795 153308665 /nfs/dbraw/zinc/30/86/65/153308665.db2.gz XZBIYYTVKQLVBN-BHYGNILZSA-N 2 2 333.480 1.356 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000364758704 153325067 /nfs/dbraw/zinc/32/50/67/153325067.db2.gz SAQGSZSQDBFBQW-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000364758704 153325068 /nfs/dbraw/zinc/32/50/68/153325068.db2.gz SAQGSZSQDBFBQW-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000364758704 153325070 /nfs/dbraw/zinc/32/50/70/153325070.db2.gz SAQGSZSQDBFBQW-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000364758704 153325071 /nfs/dbraw/zinc/32/50/71/153325071.db2.gz SAQGSZSQDBFBQW-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP COC(=O)[C@H](C)C[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000367564157 154176960 /nfs/dbraw/zinc/17/69/60/154176960.db2.gz HKOFXDNRHRUYOV-CQSZACIVSA-N 2 2 334.464 1.455 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@@H]1C ZINC000367947764 154339106 /nfs/dbraw/zinc/33/91/06/154339106.db2.gz MFJUWFSIHUWSLH-HNNXBMFYSA-N 2 2 349.479 1.472 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@@H]1C ZINC000367947764 154339109 /nfs/dbraw/zinc/33/91/09/154339109.db2.gz MFJUWFSIHUWSLH-HNNXBMFYSA-N 2 2 349.479 1.472 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CC[C@H](O)c3ccccc3)CC2)C1 ZINC000368006455 154364313 /nfs/dbraw/zinc/36/43/13/154364313.db2.gz AXIDEFRYNBURAP-PMACEKPBSA-N 2 2 347.503 1.448 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CC[C@H](O)c3ccccc3)CC2)C1 ZINC000368006455 154364316 /nfs/dbraw/zinc/36/43/16/154364316.db2.gz AXIDEFRYNBURAP-PMACEKPBSA-N 2 2 347.503 1.448 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C[C@@H]1C ZINC000369637995 155118511 /nfs/dbraw/zinc/11/85/11/155118511.db2.gz KNAZAAHWBDCADZ-GJZGRUSLSA-N 2 2 348.491 1.817 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C[C@@H]1C ZINC000369637995 155118513 /nfs/dbraw/zinc/11/85/13/155118513.db2.gz KNAZAAHWBDCADZ-GJZGRUSLSA-N 2 2 348.491 1.817 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C[C@@H]1C ZINC000369637995 155118515 /nfs/dbraw/zinc/11/85/15/155118515.db2.gz KNAZAAHWBDCADZ-GJZGRUSLSA-N 2 2 348.491 1.817 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C[C@@H]1C ZINC000369637995 155118516 /nfs/dbraw/zinc/11/85/16/155118516.db2.gz KNAZAAHWBDCADZ-GJZGRUSLSA-N 2 2 348.491 1.817 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000417447789 304396802 /nfs/dbraw/zinc/39/68/02/304396802.db2.gz RNMLYUMQFJOTHW-UHFFFAOYSA-N 2 2 341.459 1.932 20 0 EDADLP c1cc2c(cccc2C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000371662792 156050152 /nfs/dbraw/zinc/05/01/52/156050152.db2.gz BPONIQAGUAYCHR-KRWDZBQOSA-N 2 2 328.460 1.664 20 0 EDADLP Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(C)c[nH+]1 ZINC000372443252 156392714 /nfs/dbraw/zinc/39/27/14/156392714.db2.gz JWUQWZZNAWIXJE-OAHLLOKOSA-N 2 2 332.448 1.837 20 0 EDADLP Cc1cc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c(C)c[nH+]1 ZINC000372443252 156392717 /nfs/dbraw/zinc/39/27/17/156392717.db2.gz JWUQWZZNAWIXJE-OAHLLOKOSA-N 2 2 332.448 1.837 20 0 EDADLP CCCCOC[C@@H](O)C[N@@H+]1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000373913336 157062570 /nfs/dbraw/zinc/06/25/70/157062570.db2.gz XQVWUIMBFHGNKU-KRWDZBQOSA-N 2 2 338.496 1.588 20 0 EDADLP CCCCOC[C@@H](O)C[N@H+]1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000373913336 157062573 /nfs/dbraw/zinc/06/25/73/157062573.db2.gz XQVWUIMBFHGNKU-KRWDZBQOSA-N 2 2 338.496 1.588 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([NH2+]C3CCCC3)CC2)[nH+]cn1 ZINC000374189753 157186343 /nfs/dbraw/zinc/18/63/43/157186343.db2.gz KVAIUFBBGCEOQH-QGZVFWFLSA-N 2 2 345.491 1.939 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([NH2+]C3CCCC3)CC2)nc[nH+]1 ZINC000374189753 157186344 /nfs/dbraw/zinc/18/63/44/157186344.db2.gz KVAIUFBBGCEOQH-QGZVFWFLSA-N 2 2 345.491 1.939 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000374436644 157291134 /nfs/dbraw/zinc/29/11/34/157291134.db2.gz KRAQIHNMAOZNHP-XVLXNVKGSA-N 2 2 343.471 1.758 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000374436644 157291136 /nfs/dbraw/zinc/29/11/36/157291136.db2.gz KRAQIHNMAOZNHP-XVLXNVKGSA-N 2 2 343.471 1.758 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3COc4cccc(F)c43)cn2)CC1 ZINC000374677304 157365020 /nfs/dbraw/zinc/36/50/20/157365020.db2.gz ISDRBBPROIIVRH-HNNXBMFYSA-N 2 2 343.406 1.591 20 0 EDADLP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000375265573 157532383 /nfs/dbraw/zinc/53/23/83/157532383.db2.gz HUPBRTBCOJYBCN-QZTJIDSGSA-N 2 2 335.492 1.794 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000575847308 306672578 /nfs/dbraw/zinc/67/25/78/306672578.db2.gz UJDSSNFVUHUFFK-UHFFFAOYSA-N 2 2 341.459 1.798 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000378010646 158055768 /nfs/dbraw/zinc/05/57/68/158055768.db2.gz SUEUHZMOOKZXML-HZPDHXFCSA-N 2 2 349.479 1.340 20 0 EDADLP Cc1cccn2c(C[NH2+]C[C@]3(N4CCOCC4)CCCOC3)c[nH+]c12 ZINC000378151560 158093483 /nfs/dbraw/zinc/09/34/83/158093483.db2.gz NPTGJCAGWRPGET-LJQANCHMSA-N 2 2 344.459 1.614 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1cnn(C)c1 ZINC000378370446 158155944 /nfs/dbraw/zinc/15/59/44/158155944.db2.gz NZEJSLBCEWDKNN-CABCVRRESA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1cnn(C)c1 ZINC000378370446 158155947 /nfs/dbraw/zinc/15/59/47/158155947.db2.gz NZEJSLBCEWDKNN-CABCVRRESA-N 2 2 348.495 1.291 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)[nH+]1 ZINC000378383693 158160062 /nfs/dbraw/zinc/16/00/62/158160062.db2.gz RDPFZBBDUZIXKT-INIZCTEOSA-N 3 2 331.464 1.040 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)[nH+]1 ZINC000378383693 158160064 /nfs/dbraw/zinc/16/00/64/158160064.db2.gz RDPFZBBDUZIXKT-INIZCTEOSA-N 3 2 331.464 1.040 20 0 EDADLP O=C(Nc1cnccn1)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000378437481 158172800 /nfs/dbraw/zinc/17/28/00/158172800.db2.gz GOIKLIBKWZUEIM-UHFFFAOYSA-N 2 2 336.399 1.975 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378433926 158173075 /nfs/dbraw/zinc/17/30/75/158173075.db2.gz JZSOQMKUJLIRFA-DLBZAZTESA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378433926 158173077 /nfs/dbraw/zinc/17/30/77/158173077.db2.gz JZSOQMKUJLIRFA-DLBZAZTESA-N 2 2 325.497 1.678 20 0 EDADLP CC(C)c1nc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cs1 ZINC000378531680 158201033 /nfs/dbraw/zinc/20/10/33/158201033.db2.gz IGAHDXZZJDYTRM-UHFFFAOYSA-N 2 2 339.505 1.926 20 0 EDADLP O=C(NCC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1)c1ccn[nH]1 ZINC000378547177 158205581 /nfs/dbraw/zinc/20/55/81/158205581.db2.gz GGZAQKCDHGYVOP-UHFFFAOYSA-N 2 2 345.422 1.533 20 0 EDADLP Cc1nc(C(F)(F)F)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000352504627 162217452 /nfs/dbraw/zinc/21/74/52/162217452.db2.gz SLSYGJBLMGPVCY-LLVKDONJSA-N 2 2 334.411 1.950 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352509418 162220373 /nfs/dbraw/zinc/22/03/73/162220373.db2.gz KFDIIGNRJQGYCQ-BQFCYCMXSA-N 2 2 330.476 1.232 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366558626 162394093 /nfs/dbraw/zinc/39/40/93/162394093.db2.gz WJZOTEGLBOLVLX-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366558626 162394094 /nfs/dbraw/zinc/39/40/94/162394094.db2.gz WJZOTEGLBOLVLX-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP CCN(CC)C(=O)C[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051124162 287219868 /nfs/dbraw/zinc/21/98/68/287219868.db2.gz MXFKFDJPZDPCKN-MRXNPFEDSA-N 2 2 346.475 1.814 20 0 EDADLP CCN(CC)C(=O)C[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051124162 287219869 /nfs/dbraw/zinc/21/98/69/287219869.db2.gz MXFKFDJPZDPCKN-MRXNPFEDSA-N 2 2 346.475 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000068757858 287250740 /nfs/dbraw/zinc/25/07/40/287250740.db2.gz WPWPMGLFBHTQGU-HNNXBMFYSA-N 2 2 347.459 1.442 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000068757858 287250741 /nfs/dbraw/zinc/25/07/41/287250741.db2.gz WPWPMGLFBHTQGU-HNNXBMFYSA-N 2 2 347.459 1.442 20 0 EDADLP O=C(NCCn1cc[nH+]c1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000070023701 287252462 /nfs/dbraw/zinc/25/24/62/287252462.db2.gz GOMMGMQQDVIJKR-MRXNPFEDSA-N 2 2 330.457 1.789 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000080351702 287306502 /nfs/dbraw/zinc/30/65/02/287306502.db2.gz WXDGMAUWIWQREP-OAHLLOKOSA-N 2 2 335.448 1.078 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NC[C@@H](C)C[NH3+])[NH+]2CCOCC2)c1 ZINC000416995566 292577301 /nfs/dbraw/zinc/57/73/01/292577301.db2.gz LKZWQXYXIYYZPK-DOTOQJQBSA-N 2 2 334.464 1.262 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](CCc3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000120047419 287358159 /nfs/dbraw/zinc/35/81/59/287358159.db2.gz PQGALWSMCRMMAU-UHFFFAOYSA-N 2 2 349.438 1.991 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000164132079 226048256 /nfs/dbraw/zinc/04/82/56/226048256.db2.gz AEYMRAWCYNYDOZ-JKSUJKDBSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000164132079 226048258 /nfs/dbraw/zinc/04/82/58/226048258.db2.gz AEYMRAWCYNYDOZ-JKSUJKDBSA-N 2 2 331.464 1.834 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000122407213 222080828 /nfs/dbraw/zinc/08/08/28/222080828.db2.gz MXKCPSJAAWZWAA-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000122994326 222196010 /nfs/dbraw/zinc/19/60/10/222196010.db2.gz FQTQJZWEVGBKRC-UHFFFAOYSA-N 2 2 333.432 1.513 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000122994326 222196014 /nfs/dbraw/zinc/19/60/14/222196014.db2.gz FQTQJZWEVGBKRC-UHFFFAOYSA-N 2 2 333.432 1.513 20 0 EDADLP COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000123280242 222248274 /nfs/dbraw/zinc/24/82/74/222248274.db2.gz KOXSAZFOXRDKKB-AWEZNQCLSA-N 2 2 332.429 1.748 20 0 EDADLP COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000123280242 222248278 /nfs/dbraw/zinc/24/82/78/222248278.db2.gz KOXSAZFOXRDKKB-AWEZNQCLSA-N 2 2 332.429 1.748 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123828209 222338392 /nfs/dbraw/zinc/33/83/92/222338392.db2.gz HYJPPYCPCIYTCF-HIFRSBDPSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123828209 222338396 /nfs/dbraw/zinc/33/83/96/222338396.db2.gz HYJPPYCPCIYTCF-HIFRSBDPSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123828209 222338398 /nfs/dbraw/zinc/33/83/98/222338398.db2.gz HYJPPYCPCIYTCF-HIFRSBDPSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123828209 222338402 /nfs/dbraw/zinc/33/84/02/222338402.db2.gz HYJPPYCPCIYTCF-HIFRSBDPSA-N 2 2 348.447 1.758 20 0 EDADLP [NH3+]CC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCCC1 ZINC000238054497 273013979 /nfs/dbraw/zinc/01/39/79/273013979.db2.gz WXZFTYPUUPSBDY-KRWDZBQOSA-N 2 2 331.460 1.695 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)cn2c1 ZINC000273479898 268048010 /nfs/dbraw/zinc/04/80/10/268048010.db2.gz QFVUZRWDDSUMFE-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)cn2c1 ZINC000273479898 268048013 /nfs/dbraw/zinc/04/80/13/268048013.db2.gz QFVUZRWDDSUMFE-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274622407 268170332 /nfs/dbraw/zinc/17/03/32/268170332.db2.gz GCKJNXQIPGYWDU-CABCVRRESA-N 2 2 345.443 1.372 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274622407 268170334 /nfs/dbraw/zinc/17/03/34/268170334.db2.gz GCKJNXQIPGYWDU-CABCVRRESA-N 2 2 345.443 1.372 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000274870547 268226969 /nfs/dbraw/zinc/22/69/69/268226969.db2.gz FORPZPRMGVYVDQ-UHFFFAOYSA-N 2 2 341.253 1.444 20 0 EDADLP Cc1ncsc1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000275648578 273115763 /nfs/dbraw/zinc/11/57/63/273115763.db2.gz KNGMZTNJTUBDIH-CYBMUJFWSA-N 2 2 345.472 1.970 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)CC3([NH+](C)C)CCC3)ccc2[nH+]1 ZINC000275773847 273127664 /nfs/dbraw/zinc/12/76/64/273127664.db2.gz RTRYVWWEWCHFGY-UHFFFAOYSA-N 2 2 343.431 1.524 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)[NH+](CC)CC ZINC000275909614 273133120 /nfs/dbraw/zinc/13/31/20/273133120.db2.gz JCMYFPAQLNESFS-JKSUJKDBSA-N 2 2 333.480 1.630 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)[NH+](CC)CC ZINC000275909614 273133122 /nfs/dbraw/zinc/13/31/22/273133122.db2.gz JCMYFPAQLNESFS-JKSUJKDBSA-N 2 2 333.480 1.630 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000045022277 272911232 /nfs/dbraw/zinc/91/12/32/272911232.db2.gz SPWMTGQGCLCVJC-HUUCEWRRSA-N 2 2 344.459 1.960 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000277116948 273180480 /nfs/dbraw/zinc/18/04/80/273180480.db2.gz HMVWIOPDIYHTIH-HNNXBMFYSA-N 2 2 325.478 1.381 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000277116948 273180482 /nfs/dbraw/zinc/18/04/82/273180482.db2.gz HMVWIOPDIYHTIH-HNNXBMFYSA-N 2 2 325.478 1.381 20 0 EDADLP COc1cc2c(cc1F)[nH+]ccc2N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000280709483 273388590 /nfs/dbraw/zinc/38/85/90/273388590.db2.gz LBCOSCOVOHSFGL-CYBMUJFWSA-N 2 2 349.406 1.512 20 0 EDADLP CN(C)C(=O)C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000414314090 273788121 /nfs/dbraw/zinc/78/81/21/273788121.db2.gz ZLPWYWQNWRNEDD-INIZCTEOSA-N 2 2 329.448 1.795 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C[NH+]1CCCC1 ZINC000283770568 273958238 /nfs/dbraw/zinc/95/82/38/273958238.db2.gz ATZRNNGWRIJOGW-GJZGRUSLSA-N 2 2 347.463 1.311 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000284024385 274051393 /nfs/dbraw/zinc/05/13/93/274051393.db2.gz NUJRALGMPOPZFV-KRWDZBQOSA-N 2 2 345.447 1.884 20 0 EDADLP CN(CC[NH+]1CCOCC1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284186577 274109906 /nfs/dbraw/zinc/10/99/06/274109906.db2.gz RQEMGIWJVRTKRU-HXUWFJFHSA-N 2 2 347.503 1.542 20 0 EDADLP CN(CC[NH+]1CCOCC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284186577 274109908 /nfs/dbraw/zinc/10/99/08/274109908.db2.gz RQEMGIWJVRTKRU-HXUWFJFHSA-N 2 2 347.503 1.542 20 0 EDADLP NC(=O)N[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284282343 274145587 /nfs/dbraw/zinc/14/55/87/274145587.db2.gz YAAYNRALEQVTLW-IAGOWNOFSA-N 2 2 332.448 1.020 20 0 EDADLP NC(=O)N[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284282343 274145588 /nfs/dbraw/zinc/14/55/88/274145588.db2.gz YAAYNRALEQVTLW-IAGOWNOFSA-N 2 2 332.448 1.020 20 0 EDADLP NC(=O)N[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284282343 274145589 /nfs/dbraw/zinc/14/55/89/274145589.db2.gz YAAYNRALEQVTLW-IAGOWNOFSA-N 2 2 332.448 1.020 20 0 EDADLP NC(=O)N[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284282343 274145591 /nfs/dbraw/zinc/14/55/91/274145591.db2.gz YAAYNRALEQVTLW-IAGOWNOFSA-N 2 2 332.448 1.020 20 0 EDADLP C[C@@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)[N@@H+]1CCc2ccccc2C1 ZINC000346128027 274200445 /nfs/dbraw/zinc/20/04/45/274200445.db2.gz ZSCGMTZBISIDJD-AWEZNQCLSA-N 2 2 341.459 1.549 20 0 EDADLP C[C@@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)[N@H+]1CCc2ccccc2C1 ZINC000346128027 274200446 /nfs/dbraw/zinc/20/04/46/274200446.db2.gz ZSCGMTZBISIDJD-AWEZNQCLSA-N 2 2 341.459 1.549 20 0 EDADLP Cc1ccc2ncc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3c[nH+]cn3C)n2c1 ZINC000284695134 274297448 /nfs/dbraw/zinc/29/74/48/274297448.db2.gz YIVXACOZECSJCC-RDTXWAMCSA-N 2 2 338.415 1.486 20 0 EDADLP C[NH2+][C@@H](C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000285712920 274626667 /nfs/dbraw/zinc/62/66/67/274626667.db2.gz DLJBEMKUEAHHMC-NVXWUHKLSA-N 2 2 345.447 1.535 20 0 EDADLP CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000371844869 276043898 /nfs/dbraw/zinc/04/38/98/276043898.db2.gz WCXZNFGALXABCF-INIZCTEOSA-N 2 2 347.507 1.784 20 0 EDADLP CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000371844869 276043899 /nfs/dbraw/zinc/04/38/99/276043899.db2.gz WCXZNFGALXABCF-INIZCTEOSA-N 2 2 347.507 1.784 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCc4occc4C3)C2)CC1 ZINC000378092088 277027379 /nfs/dbraw/zinc/02/73/79/277027379.db2.gz NPDDHKNXWSXUHD-MRXNPFEDSA-N 2 2 346.475 1.906 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCc4occc4C3)C2)CC1 ZINC000378092088 277027380 /nfs/dbraw/zinc/02/73/80/277027380.db2.gz NPDDHKNXWSXUHD-MRXNPFEDSA-N 2 2 346.475 1.906 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420356391 277261489 /nfs/dbraw/zinc/26/14/89/277261489.db2.gz CTDTUCRVOLCOBG-AUUYWEPGSA-N 2 2 344.459 1.449 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420356391 277261490 /nfs/dbraw/zinc/26/14/90/277261490.db2.gz CTDTUCRVOLCOBG-AUUYWEPGSA-N 2 2 344.459 1.449 20 0 EDADLP CS[C@H]1CN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)C[C@H]1[NH+](C)C ZINC000356526044 277529476 /nfs/dbraw/zinc/52/94/76/277529476.db2.gz ANGSWRRPKBUSTP-CVEARBPZSA-N 2 2 332.473 1.999 20 0 EDADLP COCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)C(N)=O ZINC000286459240 288010992 /nfs/dbraw/zinc/01/09/92/288010992.db2.gz OORQZZDMWJFJEE-QGZVFWFLSA-N 2 2 348.491 1.021 20 0 EDADLP COCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)C(N)=O ZINC000286459240 288010995 /nfs/dbraw/zinc/01/09/95/288010995.db2.gz OORQZZDMWJFJEE-QGZVFWFLSA-N 2 2 348.491 1.021 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000266859384 278190718 /nfs/dbraw/zinc/19/07/18/278190718.db2.gz AJVVJVHSPYSJBG-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000266859384 278190724 /nfs/dbraw/zinc/19/07/24/278190724.db2.gz AJVVJVHSPYSJBG-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181901883 278375729 /nfs/dbraw/zinc/37/57/29/278375729.db2.gz XTCWUGGPEPQNDU-OAHLLOKOSA-N 2 2 339.480 1.395 20 0 EDADLP CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181901883 278375731 /nfs/dbraw/zinc/37/57/31/278375731.db2.gz XTCWUGGPEPQNDU-OAHLLOKOSA-N 2 2 339.480 1.395 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496634319 288050050 /nfs/dbraw/zinc/05/00/50/288050050.db2.gz VSGYPBYZGJXTSK-QLFBSQMISA-N 2 2 327.469 1.743 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343492259 288075624 /nfs/dbraw/zinc/07/56/24/288075624.db2.gz GVCXZVKGGCODBG-QAPCUYQASA-N 2 2 346.475 1.326 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343492259 288075626 /nfs/dbraw/zinc/07/56/26/288075626.db2.gz GVCXZVKGGCODBG-QAPCUYQASA-N 2 2 346.475 1.326 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000341101173 288088148 /nfs/dbraw/zinc/08/81/48/288088148.db2.gz BBNPGLYBVOMGLM-QAPCUYQASA-N 2 2 331.460 1.333 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000341101173 288088157 /nfs/dbraw/zinc/08/81/57/288088157.db2.gz BBNPGLYBVOMGLM-QAPCUYQASA-N 2 2 331.460 1.333 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371217643 279056658 /nfs/dbraw/zinc/05/66/58/279056658.db2.gz CVUVZOATPUSQEP-XJKSGUPXSA-N 2 2 347.507 1.805 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371217643 279056660 /nfs/dbraw/zinc/05/66/60/279056660.db2.gz CVUVZOATPUSQEP-XJKSGUPXSA-N 2 2 347.507 1.805 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000340052388 279111442 /nfs/dbraw/zinc/11/14/42/279111442.db2.gz WLWFEJZKDJAFNX-KRWDZBQOSA-N 2 2 339.505 1.647 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000340052388 279111444 /nfs/dbraw/zinc/11/14/44/279111444.db2.gz WLWFEJZKDJAFNX-KRWDZBQOSA-N 2 2 339.505 1.647 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000047617793 279162668 /nfs/dbraw/zinc/16/26/68/279162668.db2.gz MCIJJYZYZBWBEK-GOSISDBHSA-N 2 2 348.491 1.701 20 0 EDADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352494588 279213978 /nfs/dbraw/zinc/21/39/78/279213978.db2.gz DBVZBQVMRRAPEL-LZLYRXPVSA-N 2 2 342.487 1.332 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000132331022 280102627 /nfs/dbraw/zinc/10/26/27/280102627.db2.gz WUBTZBUQCKQNBV-CVEARBPZSA-N 2 2 332.448 1.159 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000287342321 288214372 /nfs/dbraw/zinc/21/43/72/288214372.db2.gz IRJKPMUJPVDUSQ-MRXNPFEDSA-N 2 2 327.432 1.488 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000287342321 288214374 /nfs/dbraw/zinc/21/43/74/288214374.db2.gz IRJKPMUJPVDUSQ-MRXNPFEDSA-N 2 2 327.432 1.488 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000345209945 288267374 /nfs/dbraw/zinc/26/73/74/288267374.db2.gz PWCHJMRDGVIHPT-WCXIOVBPSA-N 2 2 330.476 1.953 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000345209945 288267376 /nfs/dbraw/zinc/26/73/76/288267376.db2.gz PWCHJMRDGVIHPT-WCXIOVBPSA-N 2 2 330.476 1.953 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000288111884 288406718 /nfs/dbraw/zinc/40/67/18/288406718.db2.gz VNXCUFLFAIVVSC-UONOGXRCSA-N 2 2 335.452 1.260 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000290150378 288848670 /nfs/dbraw/zinc/84/86/70/288848670.db2.gz LFJQAVCXEXHOBM-IEBWSBKVSA-N 2 2 345.487 1.974 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C(C)(C)C ZINC000351540082 289183427 /nfs/dbraw/zinc/18/34/27/289183427.db2.gz VGXWEQFTWRLHPY-ILXRZTDVSA-N 2 2 326.485 1.077 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C(C)(C)C ZINC000351540082 289183431 /nfs/dbraw/zinc/18/34/31/289183431.db2.gz VGXWEQFTWRLHPY-ILXRZTDVSA-N 2 2 326.485 1.077 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000371695729 289187076 /nfs/dbraw/zinc/18/70/76/289187076.db2.gz HFOYCVRIYHNXEO-GOSISDBHSA-N 2 2 345.487 1.530 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000292058055 289251633 /nfs/dbraw/zinc/25/16/33/289251633.db2.gz ZBUZLCOTCXQQEV-MRXNPFEDSA-N 2 2 339.867 1.516 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)c1c(F)cccc1F ZINC000133862745 289354043 /nfs/dbraw/zinc/35/40/43/289354043.db2.gz BFBLKCFDZJZJCN-SMDDNHRTSA-N 2 2 343.443 1.779 20 0 EDADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000292497020 289363668 /nfs/dbraw/zinc/36/36/68/289363668.db2.gz UGASFCSPWKCZFK-SJLPKXTDSA-N 2 2 328.460 1.818 20 0 EDADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000292497020 289363669 /nfs/dbraw/zinc/36/36/69/289363669.db2.gz UGASFCSPWKCZFK-SJLPKXTDSA-N 2 2 328.460 1.818 20 0 EDADLP COc1ccc([C@@H](CNC(=O)/C=C\C[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000491639306 295212573 /nfs/dbraw/zinc/21/25/73/295212573.db2.gz IUBLJIYTAFSJGE-PYTPGESOSA-N 2 2 347.459 1.303 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC[C@@H]3CCCO3)CC2)CC1 ZINC000422008116 447306319 /nfs/dbraw/zinc/30/63/19/447306319.db2.gz OOMQIRBJGIHKCJ-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC[C@@H]3CCCO3)CC2)CC1 ZINC000422008116 447306324 /nfs/dbraw/zinc/30/63/24/447306324.db2.gz OOMQIRBJGIHKCJ-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[NH2+]C3)CC2)s1 ZINC000418554599 304512605 /nfs/dbraw/zinc/51/26/05/304512605.db2.gz VRSFWQDXFXPLDB-AWEZNQCLSA-N 2 2 336.505 1.747 20 0 EDADLP C[C@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000339705991 297999283 /nfs/dbraw/zinc/99/92/83/297999283.db2.gz PUFPGPRBUSXRHY-GOSISDBHSA-N 2 2 347.503 1.730 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266873942 298930063 /nfs/dbraw/zinc/93/00/63/298930063.db2.gz NSXRFBCRAXYRFW-KGLIPLIRSA-N 2 2 336.461 1.873 20 0 EDADLP CC[C@@H](C(=O)OC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422027780 447316753 /nfs/dbraw/zinc/31/67/53/447316753.db2.gz WWXXDAOFLUAVPA-MRXNPFEDSA-N 2 2 339.480 1.204 20 0 EDADLP CC[C@@H](C(=O)OC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422027780 447316757 /nfs/dbraw/zinc/31/67/57/447316757.db2.gz WWXXDAOFLUAVPA-MRXNPFEDSA-N 2 2 339.480 1.204 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[NH+]2CCC(O)CC2)cc1 ZINC000294995822 303160719 /nfs/dbraw/zinc/16/07/19/303160719.db2.gz ZNLTWZWKJVWONK-CQSZACIVSA-N 2 2 335.448 1.459 20 0 EDADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000295994073 303287848 /nfs/dbraw/zinc/28/78/48/303287848.db2.gz NVHJSOXTHKBQOJ-WOJBJXKFSA-N 2 2 342.487 1.917 20 0 EDADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000295994073 303287850 /nfs/dbraw/zinc/28/78/50/303287850.db2.gz NVHJSOXTHKBQOJ-WOJBJXKFSA-N 2 2 342.487 1.917 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000297153841 303366607 /nfs/dbraw/zinc/36/66/07/303366607.db2.gz JFYVJDLLEYVYSB-UHFFFAOYSA-N 2 2 341.459 1.580 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1[nH+]ccn1CC(F)(F)F ZINC000261964362 303373733 /nfs/dbraw/zinc/37/37/33/303373733.db2.gz HPLWOSVMXVAAEV-GFCCVEGCSA-N 2 2 347.385 1.265 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)nc[nH+]1 ZINC000298504622 303530493 /nfs/dbraw/zinc/53/04/93/303530493.db2.gz AYAHVDSCKHGFRI-AWEZNQCLSA-N 2 2 345.422 1.731 20 0 EDADLP Cc1ccc(CC[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1 ZINC000377764619 447343999 /nfs/dbraw/zinc/34/39/99/447343999.db2.gz VEFOYJRLNHUTLX-UYAOXDASSA-N 2 2 331.504 1.874 20 0 EDADLP Cc1ccc(CC[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1 ZINC000377764619 447344007 /nfs/dbraw/zinc/34/40/07/447344007.db2.gz VEFOYJRLNHUTLX-UYAOXDASSA-N 2 2 331.504 1.874 20 0 EDADLP Cc1ccc(CC[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000377764619 447344015 /nfs/dbraw/zinc/34/40/15/447344015.db2.gz VEFOYJRLNHUTLX-UYAOXDASSA-N 2 2 331.504 1.874 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)cn2c1 ZINC000423339820 304893438 /nfs/dbraw/zinc/89/34/38/304893438.db2.gz BMLSABHJFMQZCG-MRXNPFEDSA-N 2 2 338.415 1.694 20 0 EDADLP [NH3+][C@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CCC1 ZINC000423375105 304893792 /nfs/dbraw/zinc/89/37/92/304893792.db2.gz XLCNEQNODUFSHY-SFHVURJKSA-N 2 2 347.459 1.141 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000423758432 304909060 /nfs/dbraw/zinc/90/90/60/304909060.db2.gz NPFFFKZBOKSPPL-JSGCOSHPSA-N 2 2 325.478 1.673 20 0 EDADLP O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000428033574 305004685 /nfs/dbraw/zinc/00/46/85/305004685.db2.gz BKNHPPVLAOROMN-HNNXBMFYSA-N 2 2 349.504 1.504 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428040210 305005144 /nfs/dbraw/zinc/00/51/44/305005144.db2.gz VGTPDCSWGMUJIL-FUHWJXTLSA-N 2 2 331.460 1.598 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428040210 305005145 /nfs/dbraw/zinc/00/51/45/305005145.db2.gz VGTPDCSWGMUJIL-FUHWJXTLSA-N 2 2 331.460 1.598 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428048248 305005573 /nfs/dbraw/zinc/00/55/73/305005573.db2.gz HXHVQERARPHEQE-PKOBYXMFSA-N 2 2 345.487 1.913 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428048248 305005574 /nfs/dbraw/zinc/00/55/74/305005574.db2.gz HXHVQERARPHEQE-PKOBYXMFSA-N 2 2 345.487 1.913 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000430072018 305044604 /nfs/dbraw/zinc/04/46/04/305044604.db2.gz QLGQDVRTQDMRID-UHFFFAOYSA-N 2 2 329.448 1.263 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430261222 305049190 /nfs/dbraw/zinc/04/91/90/305049190.db2.gz UJHBQJMFCKLYMU-HNNXBMFYSA-N 2 2 337.468 1.198 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)CC1 ZINC000430590043 305057612 /nfs/dbraw/zinc/05/76/12/305057612.db2.gz JTUPVJNCNMQURK-FQEVSTJZSA-N 3 2 344.503 1.356 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN[C@@](C)(C[NH3+])C2CC2)CC1 ZINC000430590043 305057613 /nfs/dbraw/zinc/05/76/13/305057613.db2.gz JTUPVJNCNMQURK-FQEVSTJZSA-N 2 2 344.503 1.356 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC([NH3+])CC2)c1 ZINC000430602813 305058211 /nfs/dbraw/zinc/05/82/11/305058211.db2.gz LVUBZWXQSKVTKC-CHWSQXEVSA-N 2 2 335.448 1.693 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430615805 305059173 /nfs/dbraw/zinc/05/91/73/305059173.db2.gz DELAZBQDHQCSSF-HOTGVXAUSA-N 2 2 347.459 1.346 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430615805 305059174 /nfs/dbraw/zinc/05/91/74/305059174.db2.gz DELAZBQDHQCSSF-HOTGVXAUSA-N 2 2 347.459 1.346 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621125 305059527 /nfs/dbraw/zinc/05/95/27/305059527.db2.gz CZKNQKLPFAGYOR-ZIAGYGMSSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621125 305059528 /nfs/dbraw/zinc/05/95/28/305059528.db2.gz CZKNQKLPFAGYOR-ZIAGYGMSSA-N 2 2 333.432 1.846 20 0 EDADLP COCC[C@@]1(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CC[NH2+]C1 ZINC000430925134 305068520 /nfs/dbraw/zinc/06/85/20/305068520.db2.gz KMRJDQNVZSCSRN-AWEZNQCLSA-N 2 2 348.369 1.420 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430960831 305071087 /nfs/dbraw/zinc/07/10/87/305071087.db2.gz ACUOZRRCDQEFDI-RHSMWYFYSA-N 2 2 327.432 1.158 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430960831 305071088 /nfs/dbraw/zinc/07/10/88/305071088.db2.gz ACUOZRRCDQEFDI-RHSMWYFYSA-N 2 2 327.432 1.158 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430960291 305071122 /nfs/dbraw/zinc/07/11/22/305071122.db2.gz ICAVIBINBDUZDF-CABCVRRESA-N 2 2 332.448 1.027 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430960291 305071123 /nfs/dbraw/zinc/07/11/23/305071123.db2.gz ICAVIBINBDUZDF-CABCVRRESA-N 2 2 332.448 1.027 20 0 EDADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431066959 305074202 /nfs/dbraw/zinc/07/42/02/305074202.db2.gz BOZQQBLAKISFEG-LBPRGKRZSA-N 2 2 337.468 1.636 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000431989754 305085480 /nfs/dbraw/zinc/08/54/80/305085480.db2.gz DNXAUYYAHPOXNF-BBWFWOEESA-N 2 2 340.512 1.517 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000431989754 305085481 /nfs/dbraw/zinc/08/54/81/305085481.db2.gz DNXAUYYAHPOXNF-BBWFWOEESA-N 2 2 340.512 1.517 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000432990622 305098859 /nfs/dbraw/zinc/09/88/59/305098859.db2.gz GMCBSJKHODIQQX-GOEBONIOSA-N 2 2 337.468 1.671 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000432990622 305098860 /nfs/dbraw/zinc/09/88/60/305098860.db2.gz GMCBSJKHODIQQX-GOEBONIOSA-N 2 2 337.468 1.671 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CCN1C ZINC000433471055 305110296 /nfs/dbraw/zinc/11/02/96/305110296.db2.gz PSDIVJHETYCDNU-QGZVFWFLSA-N 2 2 341.459 1.367 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CCN1C ZINC000433471055 305110297 /nfs/dbraw/zinc/11/02/97/305110297.db2.gz PSDIVJHETYCDNU-QGZVFWFLSA-N 2 2 341.459 1.367 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435563000 305142513 /nfs/dbraw/zinc/14/25/13/305142513.db2.gz BJZBWQDMBZRFEE-GJZGRUSLSA-N 2 2 332.448 1.410 20 0 EDADLP CC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435612289 305143382 /nfs/dbraw/zinc/14/33/82/305143382.db2.gz FIVHASUKMOUURU-HNNXBMFYSA-N 2 2 340.489 1.933 20 0 EDADLP CC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435612289 305143383 /nfs/dbraw/zinc/14/33/83/305143383.db2.gz FIVHASUKMOUURU-HNNXBMFYSA-N 2 2 340.489 1.933 20 0 EDADLP COCCOCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687319 305145438 /nfs/dbraw/zinc/14/54/38/305145438.db2.gz DPIARPTYLQRSJC-AWEZNQCLSA-N 2 2 325.478 1.750 20 0 EDADLP C[C@@]1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC[NH2+]C1 ZINC000435723102 305146411 /nfs/dbraw/zinc/14/64/11/305146411.db2.gz MYASVPZPJMAVGU-GOSISDBHSA-N 2 2 328.416 1.820 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000436055101 305151545 /nfs/dbraw/zinc/15/15/45/305151545.db2.gz QQUHPHSUQKXMPR-LBPRGKRZSA-N 2 2 333.392 1.149 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000436055101 305151546 /nfs/dbraw/zinc/15/15/46/305151546.db2.gz QQUHPHSUQKXMPR-LBPRGKRZSA-N 2 2 333.392 1.149 20 0 EDADLP CS[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1[NH+]1CCCC1 ZINC000436429326 305157195 /nfs/dbraw/zinc/15/71/95/305157195.db2.gz LYJIVHOKUKBKBV-HZPDHXFCSA-N 2 2 333.505 1.481 20 0 EDADLP CS[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1[NH+]1CCCC1 ZINC000436429326 305157196 /nfs/dbraw/zinc/15/71/96/305157196.db2.gz LYJIVHOKUKBKBV-HZPDHXFCSA-N 2 2 333.505 1.481 20 0 EDADLP O=C(C[N@@H+]1CCOCC12CCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000441202531 305218817 /nfs/dbraw/zinc/21/88/17/305218817.db2.gz QNPPXZHFVRKLSE-UHFFFAOYSA-N 2 2 343.471 1.586 20 0 EDADLP O=C(C[N@H+]1CCOCC12CCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000441202531 305218818 /nfs/dbraw/zinc/21/88/18/305218818.db2.gz QNPPXZHFVRKLSE-UHFFFAOYSA-N 2 2 343.471 1.586 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nn(C)c2c1CCCC2 ZINC000449892355 305322003 /nfs/dbraw/zinc/32/20/03/305322003.db2.gz YROJJDSUWREARA-UHFFFAOYSA-N 2 2 347.507 1.397 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nn(C)c2c1CCCC2 ZINC000449892355 305322004 /nfs/dbraw/zinc/32/20/04/305322004.db2.gz YROJJDSUWREARA-UHFFFAOYSA-N 2 2 347.507 1.397 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452126627 305384374 /nfs/dbraw/zinc/38/43/74/305384374.db2.gz UUOVDKWPAZNCSB-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452126627 305384375 /nfs/dbraw/zinc/38/43/75/305384375.db2.gz UUOVDKWPAZNCSB-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000495081449 305635357 /nfs/dbraw/zinc/63/53/57/305635357.db2.gz UNSBZPAQGGNMDK-NVXWUHKLSA-N 2 2 334.512 1.899 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)CCC[N@@H+]1C ZINC000493612117 447354569 /nfs/dbraw/zinc/35/45/69/447354569.db2.gz ITGMQUOEWWKKOY-KUBVHJBSSA-N 2 2 328.420 1.356 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)CCC[N@H+]1C ZINC000493612117 447354574 /nfs/dbraw/zinc/35/45/74/447354574.db2.gz ITGMQUOEWWKKOY-KUBVHJBSSA-N 2 2 328.420 1.356 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000518176483 305759545 /nfs/dbraw/zinc/75/95/45/305759545.db2.gz VPBDHQCRIDVMRU-MAUKXSAKSA-N 3 2 336.524 1.569 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000519402784 305768215 /nfs/dbraw/zinc/76/82/15/305768215.db2.gz AJNHZCJLXXFRHY-ZFWWWQNUSA-N 3 2 331.464 1.031 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000522966158 305806912 /nfs/dbraw/zinc/80/69/12/305806912.db2.gz LUKPGVDSLYTVPM-UHFFFAOYSA-N 2 2 342.447 1.904 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000524594410 305816928 /nfs/dbraw/zinc/81/69/28/305816928.db2.gz MJNYIVOJFKPTNS-QGZVFWFLSA-N 2 2 327.432 1.025 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528674671 305883317 /nfs/dbraw/zinc/88/33/17/305883317.db2.gz KUKYMGVTRCHGEL-QGZVFWFLSA-N 2 2 344.459 1.925 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000456335577 447363811 /nfs/dbraw/zinc/36/38/11/447363811.db2.gz AHSYLXNLYILJND-CYBMUJFWSA-N 2 2 331.420 1.729 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000536553805 306022207 /nfs/dbraw/zinc/02/22/07/306022207.db2.gz JXFYSBFIQQZAOM-IAGOWNOFSA-N 2 2 339.528 1.138 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000536553805 306022208 /nfs/dbraw/zinc/02/22/08/306022208.db2.gz JXFYSBFIQQZAOM-IAGOWNOFSA-N 2 2 339.528 1.138 20 0 EDADLP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC(n2cc[nH+]c2)C1 ZINC000542353188 306053110 /nfs/dbraw/zinc/05/31/10/306053110.db2.gz OBNDSHAYQSJJQE-SFHVURJKSA-N 2 2 340.427 1.464 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)C2)CC1 ZINC000544617678 306077298 /nfs/dbraw/zinc/07/72/98/306077298.db2.gz ZMEMANSVLKPXIS-MRXNPFEDSA-N 2 2 345.491 1.000 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000544817244 306079153 /nfs/dbraw/zinc/07/91/53/306079153.db2.gz PCOVSBYOIJHIGU-MRXNPFEDSA-N 2 2 343.431 1.090 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000547984305 306116827 /nfs/dbraw/zinc/11/68/27/306116827.db2.gz FADBZNFSQLEKND-IAGOWNOFSA-N 2 2 339.443 1.621 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000547984305 306116828 /nfs/dbraw/zinc/11/68/28/306116828.db2.gz FADBZNFSQLEKND-IAGOWNOFSA-N 2 2 339.443 1.621 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000548825925 306139078 /nfs/dbraw/zinc/13/90/78/306139078.db2.gz KOXFJNQYEPKEKY-QGZVFWFLSA-N 2 2 330.476 1.267 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000548825925 306139079 /nfs/dbraw/zinc/13/90/79/306139079.db2.gz KOXFJNQYEPKEKY-QGZVFWFLSA-N 2 2 330.476 1.267 20 0 EDADLP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000551845717 306163382 /nfs/dbraw/zinc/16/33/82/306163382.db2.gz CPHNTJILDPGPQA-UHFFFAOYSA-N 2 2 349.479 1.112 20 0 EDADLP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000551845717 306163383 /nfs/dbraw/zinc/16/33/83/306163383.db2.gz CPHNTJILDPGPQA-UHFFFAOYSA-N 2 2 349.479 1.112 20 0 EDADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000552146213 306176172 /nfs/dbraw/zinc/17/61/72/306176172.db2.gz HVXDWHVALISUGW-WMLDXEAASA-N 2 2 342.443 1.838 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553057162 306182154 /nfs/dbraw/zinc/18/21/54/306182154.db2.gz PLAGZSXCNBJTQG-UONOGXRCSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553057162 306182155 /nfs/dbraw/zinc/18/21/55/306182155.db2.gz PLAGZSXCNBJTQG-UONOGXRCSA-N 2 2 343.431 1.509 20 0 EDADLP Cc1ccc(CCC[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c[nH+]1 ZINC000414975033 447380586 /nfs/dbraw/zinc/38/05/86/447380586.db2.gz ODBALALERFGRML-HNNXBMFYSA-N 3 2 330.398 1.748 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000378111487 447401278 /nfs/dbraw/zinc/40/12/78/447401278.db2.gz NICRIWXQWGTRSK-RHSMWYFYSA-N 2 2 327.432 1.869 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000378111487 447401282 /nfs/dbraw/zinc/40/12/82/447401282.db2.gz NICRIWXQWGTRSK-RHSMWYFYSA-N 2 2 327.432 1.869 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000422261495 447429821 /nfs/dbraw/zinc/42/98/21/447429821.db2.gz PEQVKMDXOWZXQN-XJKSGUPXSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000422261495 447429823 /nfs/dbraw/zinc/42/98/23/447429823.db2.gz PEQVKMDXOWZXQN-XJKSGUPXSA-N 2 2 346.475 1.551 20 0 EDADLP C[C@H]1C[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000044849278 440892816 /nfs/dbraw/zinc/89/28/16/440892816.db2.gz SSOSXGHYAWJRQQ-HOTGVXAUSA-N 2 2 332.448 1.230 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000105082532 441231337 /nfs/dbraw/zinc/23/13/37/441231337.db2.gz KGASJAYWNZLRBY-SFHVURJKSA-N 2 2 348.491 1.133 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000105128456 441235568 /nfs/dbraw/zinc/23/55/68/441235568.db2.gz VUFOLWBKDABFEQ-IAGOWNOFSA-N 2 2 340.512 1.328 20 0 EDADLP C[C@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000105121155 441236262 /nfs/dbraw/zinc/23/62/62/441236262.db2.gz MPEYRSOZOHULBO-CYBMUJFWSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000105121155 441236263 /nfs/dbraw/zinc/23/62/63/441236263.db2.gz MPEYRSOZOHULBO-CYBMUJFWSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000105160977 441238630 /nfs/dbraw/zinc/23/86/30/441238630.db2.gz NJNADQVRMUYOOW-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000105150368 441238722 /nfs/dbraw/zinc/23/87/22/441238722.db2.gz PZSIWRRFHOJXMH-CQSZACIVSA-N 2 2 348.516 1.984 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[N@H+]1CCc2sccc2C1 ZINC000105150368 441238725 /nfs/dbraw/zinc/23/87/25/441238725.db2.gz PZSIWRRFHOJXMH-CQSZACIVSA-N 2 2 348.516 1.984 20 0 EDADLP Cc1ncc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000105187431 441240859 /nfs/dbraw/zinc/24/08/59/441240859.db2.gz HBHBRWIKJBEOOL-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP Cc1ncc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000105187431 441240863 /nfs/dbraw/zinc/24/08/63/441240863.db2.gz HBHBRWIKJBEOOL-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)[C@H](C)[NH+]1CCOCC1 ZINC000105299075 441249126 /nfs/dbraw/zinc/24/91/26/441249126.db2.gz KXOSHVGUDJNPGB-CVEARBPZSA-N 2 2 349.479 1.682 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]2CCOCC2)cc1 ZINC000063582987 441337516 /nfs/dbraw/zinc/33/75/16/441337516.db2.gz MARPMULVXWSJCF-GOSISDBHSA-N 2 2 333.476 1.825 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH+]2CCOCC2)cc1 ZINC000063582987 441337522 /nfs/dbraw/zinc/33/75/22/441337522.db2.gz MARPMULVXWSJCF-GOSISDBHSA-N 2 2 333.476 1.825 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000073964171 441374340 /nfs/dbraw/zinc/37/43/40/441374340.db2.gz POGFCSNRLDCFJX-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000108369223 441449342 /nfs/dbraw/zinc/44/93/42/441449342.db2.gz XXAZOXVIKRDVCY-HNNXBMFYSA-N 2 2 336.432 1.617 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3CO)CC2)c1 ZINC000052870956 441483290 /nfs/dbraw/zinc/48/32/90/441483290.db2.gz SLXZRDZMGNEUPD-LJQANCHMSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCC[C@@H]3CO)CC2)c1 ZINC000052870956 441483293 /nfs/dbraw/zinc/48/32/93/441483293.db2.gz SLXZRDZMGNEUPD-LJQANCHMSA-N 2 2 345.487 1.486 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc(OC)c1 ZINC000088251924 441501154 /nfs/dbraw/zinc/50/11/54/441501154.db2.gz ROWZFPJHLMTBJH-OAHLLOKOSA-N 2 2 344.415 1.291 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc(OC)c1 ZINC000088251924 441501159 /nfs/dbraw/zinc/50/11/59/441501159.db2.gz ROWZFPJHLMTBJH-OAHLLOKOSA-N 2 2 344.415 1.291 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCN(CC[NH+]4CCCC4)CC3)cn2c1 ZINC000053101423 441498008 /nfs/dbraw/zinc/49/80/08/441498008.db2.gz LEEOPFMDLWGECC-UHFFFAOYSA-N 2 2 327.476 1.856 20 0 EDADLP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000108589177 441465907 /nfs/dbraw/zinc/46/59/07/441465907.db2.gz JORGPILMWQXNEI-HNNXBMFYSA-N 2 2 336.505 1.917 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000108589177 441465908 /nfs/dbraw/zinc/46/59/08/441465908.db2.gz JORGPILMWQXNEI-HNNXBMFYSA-N 2 2 336.505 1.917 20 0 EDADLP C[NH+]1CCN(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000111616294 441538581 /nfs/dbraw/zinc/53/85/81/441538581.db2.gz UJFXLOHSPUMJGL-UHFFFAOYSA-N 2 2 345.491 1.326 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)N2CC[NH+](C3CC3)CC2)c2ccccc2)CC1 ZINC000075664352 441546623 /nfs/dbraw/zinc/54/66/23/441546623.db2.gz MRXKQPGOTMCEFG-LJQANCHMSA-N 2 2 342.487 1.282 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000109787279 441506997 /nfs/dbraw/zinc/50/69/97/441506997.db2.gz ULKRAWFOUJLNQV-UHFFFAOYSA-N 2 2 347.459 1.838 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000109787279 441507001 /nfs/dbraw/zinc/50/70/01/441507001.db2.gz ULKRAWFOUJLNQV-UHFFFAOYSA-N 2 2 347.459 1.838 20 0 EDADLP C[C@@H](O)CC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000075777686 441554530 /nfs/dbraw/zinc/55/45/30/441554530.db2.gz OMXXRTSZAYDKDE-SJORKVTESA-N 2 2 333.476 1.595 20 0 EDADLP C[C@@H](O)CC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000075777686 441554533 /nfs/dbraw/zinc/55/45/33/441554533.db2.gz OMXXRTSZAYDKDE-SJORKVTESA-N 2 2 333.476 1.595 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076077608 441593500 /nfs/dbraw/zinc/59/35/00/441593500.db2.gz DBXKXISGWWXZOF-NSHDSACASA-N 2 2 335.374 1.975 20 0 EDADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000055019680 441612823 /nfs/dbraw/zinc/61/28/23/441612823.db2.gz BHYAOUKDUSGMNJ-GDBMZVCRSA-N 2 2 330.432 1.224 20 0 EDADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000055019680 441612832 /nfs/dbraw/zinc/61/28/32/441612832.db2.gz BHYAOUKDUSGMNJ-GDBMZVCRSA-N 2 2 330.432 1.224 20 0 EDADLP C[C@@H](CCN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000090048033 441617780 /nfs/dbraw/zinc/61/77/80/441617780.db2.gz ADLSEOWBGPHIQD-KRWDZBQOSA-N 2 2 332.492 1.746 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)ccc2n1C ZINC000076270603 441619868 /nfs/dbraw/zinc/61/98/68/441619868.db2.gz NANBTSNJIOFWGP-NSHDSACASA-N 2 2 331.420 1.277 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000076541018 441656195 /nfs/dbraw/zinc/65/61/95/441656195.db2.gz PNBIZALSJXXGLW-AWEZNQCLSA-N 2 2 346.431 1.363 20 0 EDADLP CNS(=O)(=O)CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481098 441663058 /nfs/dbraw/zinc/66/30/58/441663058.db2.gz BGWKENCZKLQSOC-UHFFFAOYSA-N 2 2 339.505 1.522 20 0 EDADLP CNS(=O)(=O)CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481098 441663060 /nfs/dbraw/zinc/66/30/60/441663060.db2.gz BGWKENCZKLQSOC-UHFFFAOYSA-N 2 2 339.505 1.522 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000077248636 441743055 /nfs/dbraw/zinc/74/30/55/441743055.db2.gz WRXUMOVOCFAXKO-UHFFFAOYSA-N 2 2 325.478 1.381 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000077248636 441743062 /nfs/dbraw/zinc/74/30/62/441743062.db2.gz WRXUMOVOCFAXKO-UHFFFAOYSA-N 2 2 325.478 1.381 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115545982 441755076 /nfs/dbraw/zinc/75/50/76/441755076.db2.gz FMPFQUCYBBJLEO-INIZCTEOSA-N 2 2 325.497 1.556 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115545982 441755082 /nfs/dbraw/zinc/75/50/82/441755082.db2.gz FMPFQUCYBBJLEO-INIZCTEOSA-N 2 2 325.497 1.556 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC[N@H+](CC)C1CC1)[NH+]1CCOCC1 ZINC000173503906 441772246 /nfs/dbraw/zinc/77/22/46/441772246.db2.gz PYKRJGHDDZGOQF-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC[N@@H+](CC)C1CC1)[NH+]1CCOCC1 ZINC000173503906 441772248 /nfs/dbraw/zinc/77/22/48/441772248.db2.gz PYKRJGHDDZGOQF-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000173643307 441813122 /nfs/dbraw/zinc/81/31/22/441813122.db2.gz RBBDTWYJMRLUAK-CQSZACIVSA-N 2 2 347.459 1.917 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000173915244 441862306 /nfs/dbraw/zinc/86/23/06/441862306.db2.gz OJLXMAZTDQBEGH-CQSZACIVSA-N 2 2 348.447 1.617 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000173915244 441862309 /nfs/dbraw/zinc/86/23/09/441862309.db2.gz OJLXMAZTDQBEGH-CQSZACIVSA-N 2 2 348.447 1.617 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000173915244 441862311 /nfs/dbraw/zinc/86/23/11/441862311.db2.gz OJLXMAZTDQBEGH-CQSZACIVSA-N 2 2 348.447 1.617 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000173915244 441862314 /nfs/dbraw/zinc/86/23/14/441862314.db2.gz OJLXMAZTDQBEGH-CQSZACIVSA-N 2 2 348.447 1.617 20 0 EDADLP COc1ccccc1NC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093199848 441865325 /nfs/dbraw/zinc/86/53/25/441865325.db2.gz VZXUUWVWXJQUCL-UHFFFAOYSA-N 2 2 346.475 1.346 20 0 EDADLP CC[N@@H+](Cc1nc(N)nc(N)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971365 441872162 /nfs/dbraw/zinc/87/21/62/441872162.db2.gz KMEQWPYTOBCUJI-UHFFFAOYSA-N 2 2 342.451 1.170 20 0 EDADLP CC[N@H+](Cc1nc(N)nc(N)n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971365 441872164 /nfs/dbraw/zinc/87/21/64/441872164.db2.gz KMEQWPYTOBCUJI-UHFFFAOYSA-N 2 2 342.451 1.170 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000078307121 441916611 /nfs/dbraw/zinc/91/66/11/441916611.db2.gz LIVNLGHYPBUURS-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000078307121 441916618 /nfs/dbraw/zinc/91/66/18/441916618.db2.gz LIVNLGHYPBUURS-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150787023 441950794 /nfs/dbraw/zinc/95/07/94/441950794.db2.gz HTVXHUOQXFFRMO-IBGZPJMESA-N 2 2 345.487 1.867 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150787023 441950799 /nfs/dbraw/zinc/95/07/99/441950799.db2.gz HTVXHUOQXFFRMO-IBGZPJMESA-N 2 2 345.487 1.867 20 0 EDADLP CC(=O)c1ccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174715443 441957494 /nfs/dbraw/zinc/95/74/94/441957494.db2.gz RICUOCMJVQJJFC-UHFFFAOYSA-N 2 2 346.475 1.397 20 0 EDADLP CC(=O)c1ccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174715443 441957498 /nfs/dbraw/zinc/95/74/98/441957498.db2.gz RICUOCMJVQJJFC-UHFFFAOYSA-N 2 2 346.475 1.397 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000174761712 441964931 /nfs/dbraw/zinc/96/49/31/441964931.db2.gz IRABHBAMTSKLJN-QKPAOTATSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000174761712 441964936 /nfs/dbraw/zinc/96/49/36/441964936.db2.gz IRABHBAMTSKLJN-QKPAOTATSA-N 2 2 326.485 1.220 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000175076397 442001280 /nfs/dbraw/zinc/00/12/80/442001280.db2.gz DYGLSTKJBXOSHQ-QGZVFWFLSA-N 2 2 333.432 1.096 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000175076397 442001285 /nfs/dbraw/zinc/00/12/85/442001285.db2.gz DYGLSTKJBXOSHQ-QGZVFWFLSA-N 2 2 333.432 1.096 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000175261828 442028915 /nfs/dbraw/zinc/02/89/15/442028915.db2.gz RPMHARZLCIBVDK-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000175261828 442028918 /nfs/dbraw/zinc/02/89/18/442028918.db2.gz RPMHARZLCIBVDK-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP COCc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)o1 ZINC000125555665 442030279 /nfs/dbraw/zinc/03/02/79/442030279.db2.gz KWLIRQRKFFLUGJ-UHFFFAOYSA-N 2 2 330.432 1.863 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000161865323 442039176 /nfs/dbraw/zinc/03/91/76/442039176.db2.gz HSZKDOXXEUNGSB-QGZVFWFLSA-N 2 2 345.553 1.302 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000161865323 442039183 /nfs/dbraw/zinc/03/91/83/442039183.db2.gz HSZKDOXXEUNGSB-QGZVFWFLSA-N 2 2 345.553 1.302 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc(C2CC2)[nH+]1 ZINC000151623730 442094391 /nfs/dbraw/zinc/09/43/91/442094391.db2.gz JKVJEKCNNATBJH-HNNXBMFYSA-N 2 2 329.448 1.405 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc(C2CC2)[nH+]1 ZINC000151623730 442094393 /nfs/dbraw/zinc/09/43/93/442094393.db2.gz JKVJEKCNNATBJH-HNNXBMFYSA-N 2 2 329.448 1.405 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2OCCc3ccccc32)CC1 ZINC000151373689 442050969 /nfs/dbraw/zinc/05/09/69/442050969.db2.gz XQTPUAWLQDVMCS-GOSISDBHSA-N 2 2 331.460 1.443 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000175381913 442052389 /nfs/dbraw/zinc/05/23/89/442052389.db2.gz JDKNAUMBHXBCJR-WCVJEAGWSA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000175419979 442060449 /nfs/dbraw/zinc/06/04/49/442060449.db2.gz PEJROBXQAXWAHE-HNNXBMFYSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000079733088 442082074 /nfs/dbraw/zinc/08/20/74/442082074.db2.gz OBDBENXYYXLCEP-DOTOQJQBSA-N 2 2 329.448 1.744 20 0 EDADLP Cc1noc2nc(C(C)C)cc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c12 ZINC000162347380 442086333 /nfs/dbraw/zinc/08/63/33/442086333.db2.gz GKAZBVBLUWRFNU-GFCCVEGCSA-N 2 2 331.420 1.370 20 0 EDADLP Cc1noc2nc(C(C)C)cc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c12 ZINC000162347380 442086335 /nfs/dbraw/zinc/08/63/35/442086335.db2.gz GKAZBVBLUWRFNU-GFCCVEGCSA-N 2 2 331.420 1.370 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000152148772 442171952 /nfs/dbraw/zinc/17/19/52/442171952.db2.gz YXHLVSLQSLUJGK-BZUAXINKSA-N 2 2 335.452 1.196 20 0 EDADLP COC[C@H](C)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176104239 442177411 /nfs/dbraw/zinc/17/74/11/442177411.db2.gz DUARMQLCQUDKPL-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000127288436 442189038 /nfs/dbraw/zinc/18/90/38/442189038.db2.gz WBLDFGNSJZWVQO-HNAYVOBHSA-N 2 2 343.471 1.413 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000127288436 442189040 /nfs/dbraw/zinc/18/90/40/442189040.db2.gz WBLDFGNSJZWVQO-HNAYVOBHSA-N 2 2 343.471 1.413 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCc2ccccc2C1 ZINC000127288436 442189042 /nfs/dbraw/zinc/18/90/42/442189042.db2.gz WBLDFGNSJZWVQO-HNAYVOBHSA-N 2 2 343.471 1.413 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCc2ccccc2C1 ZINC000127288436 442189044 /nfs/dbraw/zinc/18/90/44/442189044.db2.gz WBLDFGNSJZWVQO-HNAYVOBHSA-N 2 2 343.471 1.413 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000176215663 442193087 /nfs/dbraw/zinc/19/30/87/442193087.db2.gz IOTPPIUMYPGGRT-UHFFFAOYSA-N 2 2 343.431 1.659 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000176215663 442193089 /nfs/dbraw/zinc/19/30/89/442193089.db2.gz IOTPPIUMYPGGRT-UHFFFAOYSA-N 2 2 343.431 1.659 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000165905720 442211821 /nfs/dbraw/zinc/21/18/21/442211821.db2.gz GARXETPQCYKIAS-KBXCAEBGSA-N 2 2 347.459 1.407 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000165905720 442211823 /nfs/dbraw/zinc/21/18/23/442211823.db2.gz GARXETPQCYKIAS-KBXCAEBGSA-N 2 2 347.459 1.407 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170628897 442238416 /nfs/dbraw/zinc/23/84/16/442238416.db2.gz PXZSJQPBQOOTGR-UHFFFAOYSA-N 2 2 349.475 1.468 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170628897 442238417 /nfs/dbraw/zinc/23/84/17/442238417.db2.gz PXZSJQPBQOOTGR-UHFFFAOYSA-N 2 2 349.475 1.468 20 0 EDADLP Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)[nH]n2)o1 ZINC000177145082 442304571 /nfs/dbraw/zinc/30/45/71/442304571.db2.gz CHQGKDUWNGZBHX-UHFFFAOYSA-N 2 2 345.447 1.734 20 0 EDADLP COC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000128825881 442290341 /nfs/dbraw/zinc/29/03/41/442290341.db2.gz UGTFLGRLJKGFMO-MRXNPFEDSA-N 2 2 332.448 1.135 20 0 EDADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)NC(=O)NCC(F)(F)F ZINC000177067041 442293456 /nfs/dbraw/zinc/29/34/56/442293456.db2.gz BGZJTWBVDFTDKU-UHFFFAOYSA-N 2 2 347.341 1.298 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000171037808 442302789 /nfs/dbraw/zinc/30/27/89/442302789.db2.gz YOBCAWBNFSLNLL-CQSZACIVSA-N 2 2 330.436 1.797 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000171037808 442302791 /nfs/dbraw/zinc/30/27/91/442302791.db2.gz YOBCAWBNFSLNLL-CQSZACIVSA-N 2 2 330.436 1.797 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCO1 ZINC000170766677 442260527 /nfs/dbraw/zinc/26/05/27/442260527.db2.gz SOXHNPXDTNETON-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCCO1 ZINC000170766677 442260528 /nfs/dbraw/zinc/26/05/28/442260528.db2.gz SOXHNPXDTNETON-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3CCOCC3)CC2)CC1 ZINC000171213748 442328720 /nfs/dbraw/zinc/32/87/20/442328720.db2.gz OUTYHGHKGAKJLF-UHFFFAOYSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000171321152 442340954 /nfs/dbraw/zinc/34/09/54/442340954.db2.gz JCCAWIMDTZROSA-INIZCTEOSA-N 2 2 344.459 1.914 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2cncc(Br)c2)CC1 ZINC000171649806 442366300 /nfs/dbraw/zinc/36/63/00/442366300.db2.gz BUQPBDKRKOFQBD-UHFFFAOYSA-N 2 2 328.254 1.733 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2cncc(Br)c2)CC1 ZINC000171649806 442366302 /nfs/dbraw/zinc/36/63/02/442366302.db2.gz BUQPBDKRKOFQBD-UHFFFAOYSA-N 2 2 328.254 1.733 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132662529 442397990 /nfs/dbraw/zinc/39/79/90/442397990.db2.gz VPZKVUWDKINCJR-OAGGEKHMSA-N 2 2 329.510 1.217 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132662529 442397991 /nfs/dbraw/zinc/39/79/91/442397991.db2.gz VPZKVUWDKINCJR-OAGGEKHMSA-N 2 2 329.510 1.217 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132662529 442397992 /nfs/dbraw/zinc/39/79/92/442397992.db2.gz VPZKVUWDKINCJR-OAGGEKHMSA-N 2 2 329.510 1.217 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132662529 442397994 /nfs/dbraw/zinc/39/79/94/442397994.db2.gz VPZKVUWDKINCJR-OAGGEKHMSA-N 2 2 329.510 1.217 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000178270574 442420634 /nfs/dbraw/zinc/42/06/34/442420634.db2.gz MNPHPLWWGHYDDY-INIZCTEOSA-N 2 2 337.468 1.271 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000178270574 442420637 /nfs/dbraw/zinc/42/06/37/442420637.db2.gz MNPHPLWWGHYDDY-INIZCTEOSA-N 2 2 337.468 1.271 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000155718418 442421545 /nfs/dbraw/zinc/42/15/45/442421545.db2.gz ZVFKXVBTHXBDCN-DZKIICNBSA-N 2 2 339.505 1.953 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4nncn4c3)CC2)CC1 ZINC000156043900 442443990 /nfs/dbraw/zinc/44/39/90/442443990.db2.gz PVQBNVHVJHXVJB-UHFFFAOYSA-N 2 2 342.447 1.018 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000156157743 442451590 /nfs/dbraw/zinc/45/15/90/442451590.db2.gz XEGMSEVACGMXRR-MRXNPFEDSA-N 2 2 342.443 1.702 20 0 EDADLP C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000178860858 442506284 /nfs/dbraw/zinc/50/62/84/442506284.db2.gz WJXMNDNDXUZJLD-LAQRGFTBSA-N 2 2 331.460 1.502 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)NC1CC[NH+](CC2CC2)CC1 ZINC000178714633 442461762 /nfs/dbraw/zinc/46/17/62/442461762.db2.gz AFDPYMZUZYEZPQ-QGZVFWFLSA-N 2 2 343.475 1.834 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172461301 442466990 /nfs/dbraw/zinc/46/69/90/442466990.db2.gz RASXHOYCTOOHHR-UHFFFAOYSA-N 2 2 342.443 1.448 20 0 EDADLP C[N@H+](Cc1ccc(F)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179646750 442483893 /nfs/dbraw/zinc/48/38/93/442483893.db2.gz VKXYXEMIAUWGBM-UHFFFAOYSA-N 2 2 329.423 2.000 20 0 EDADLP C[N@@H+](Cc1ccc(F)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179646750 442483898 /nfs/dbraw/zinc/48/38/98/442483898.db2.gz VKXYXEMIAUWGBM-UHFFFAOYSA-N 2 2 329.423 2.000 20 0 EDADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CC1=O ZINC000172767268 442539122 /nfs/dbraw/zinc/53/91/22/442539122.db2.gz WUIGNEKAPSTJBT-CQSZACIVSA-N 2 2 341.415 1.425 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2ccc[nH]c2=O)([NH+]2CCCCC2)CC1 ZINC000172849817 442555891 /nfs/dbraw/zinc/55/58/91/442555891.db2.gz OTIFAFPOEWKLQZ-UHFFFAOYSA-N 2 2 332.448 1.467 20 0 EDADLP Cc1cccc(C)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000180263111 442569460 /nfs/dbraw/zinc/56/94/60/442569460.db2.gz XBOUCUGUOFKKFQ-KRWDZBQOSA-N 2 2 331.460 1.326 20 0 EDADLP O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192041601 442577778 /nfs/dbraw/zinc/57/77/78/442577778.db2.gz HNIBSJIRCZHWPM-CRAIPNDOSA-N 2 2 329.444 1.594 20 0 EDADLP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000192041601 442577783 /nfs/dbraw/zinc/57/77/83/442577783.db2.gz HNIBSJIRCZHWPM-CRAIPNDOSA-N 2 2 329.444 1.594 20 0 EDADLP COCc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000179233041 442602248 /nfs/dbraw/zinc/60/22/48/442602248.db2.gz STQCFMDDAQBGIP-SFHVURJKSA-N 2 2 331.460 1.571 20 0 EDADLP COCc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000179233041 442602252 /nfs/dbraw/zinc/60/22/52/442602252.db2.gz STQCFMDDAQBGIP-SFHVURJKSA-N 2 2 331.460 1.571 20 0 EDADLP C[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172905199 442566466 /nfs/dbraw/zinc/56/64/66/442566466.db2.gz LNQCCNTZXOQQRM-MRXNPFEDSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172905199 442566474 /nfs/dbraw/zinc/56/64/74/442566474.db2.gz LNQCCNTZXOQQRM-MRXNPFEDSA-N 2 2 345.487 1.660 20 0 EDADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ncn1 ZINC000136132025 442652198 /nfs/dbraw/zinc/65/21/98/442652198.db2.gz BXXBYXCSLXJMPN-UHFFFAOYSA-N 2 2 331.464 1.465 20 0 EDADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000157769056 442611539 /nfs/dbraw/zinc/61/15/39/442611539.db2.gz QNKWJMSLISGJML-LSDHHAIUSA-N 2 2 328.416 1.992 20 0 EDADLP CN(CCc1ccncc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179286788 442613088 /nfs/dbraw/zinc/61/30/88/442613088.db2.gz QAOLHSFEOJCHSR-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP CC[C@]1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000135733009 442629203 /nfs/dbraw/zinc/62/92/03/442629203.db2.gz RTMADRFUCOGIGS-LJQANCHMSA-N 2 2 346.475 1.621 20 0 EDADLP CC[C@]1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000135733009 442629206 /nfs/dbraw/zinc/62/92/06/442629206.db2.gz RTMADRFUCOGIGS-LJQANCHMSA-N 2 2 346.475 1.621 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H](OC)C[NH2+]3)CC2)cc1 ZINC000187896745 442696933 /nfs/dbraw/zinc/69/69/33/442696933.db2.gz LLYIZBHBPGCEQV-ZWKOTPCHSA-N 2 2 347.459 1.106 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187982434 442701929 /nfs/dbraw/zinc/70/19/29/442701929.db2.gz PVOSWSSIUIVDLX-PBHICJAKSA-N 2 2 331.439 1.864 20 0 EDADLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)c1ccccc1 ZINC000181527367 442702008 /nfs/dbraw/zinc/70/20/08/442702008.db2.gz YFEQHXZJCSIGMS-DLBZAZTESA-N 2 2 347.503 1.995 20 0 EDADLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000188209263 442724901 /nfs/dbraw/zinc/72/49/01/442724901.db2.gz ICLVDESMBWLSOT-ROUUACIJSA-N 2 2 349.450 1.800 20 0 EDADLP C[N@H+](CC(=O)NC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188300034 442735462 /nfs/dbraw/zinc/73/54/62/442735462.db2.gz CEGADMRRQCIQHK-LJQANCHMSA-N 2 2 333.476 1.470 20 0 EDADLP C[N@@H+](CC(=O)NC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188300034 442735464 /nfs/dbraw/zinc/73/54/64/442735464.db2.gz CEGADMRRQCIQHK-LJQANCHMSA-N 2 2 333.476 1.470 20 0 EDADLP C[NH+](CC(=O)NC(C)(C)C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188300034 442735466 /nfs/dbraw/zinc/73/54/66/442735466.db2.gz CEGADMRRQCIQHK-LJQANCHMSA-N 2 2 333.476 1.470 20 0 EDADLP C[NH+](CC(=O)NC(C)(C)C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188300034 442735468 /nfs/dbraw/zinc/73/54/68/442735468.db2.gz CEGADMRRQCIQHK-LJQANCHMSA-N 2 2 333.476 1.470 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188739100 442799930 /nfs/dbraw/zinc/79/99/30/442799930.db2.gz HQYNZVWZUZMKHX-UHFFFAOYSA-N 2 2 341.415 1.140 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000265510207 442802252 /nfs/dbraw/zinc/80/22/52/442802252.db2.gz FVFNCGZUEHHCJM-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000265510207 442802259 /nfs/dbraw/zinc/80/22/59/442802259.db2.gz FVFNCGZUEHHCJM-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246281211 442768501 /nfs/dbraw/zinc/76/85/01/442768501.db2.gz NPMMCRLKQZCZNI-DJIMGWMZSA-N 2 2 342.447 1.695 20 0 EDADLP C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246281211 442768506 /nfs/dbraw/zinc/76/85/06/442768506.db2.gz NPMMCRLKQZCZNI-DJIMGWMZSA-N 2 2 342.447 1.695 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246334051 442773239 /nfs/dbraw/zinc/77/32/39/442773239.db2.gz HFYWCUQBRWKKQK-ROUUACIJSA-N 2 2 344.503 1.607 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246334051 442773244 /nfs/dbraw/zinc/77/32/44/442773244.db2.gz HFYWCUQBRWKKQK-ROUUACIJSA-N 2 2 344.503 1.607 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000268090555 442843054 /nfs/dbraw/zinc/84/30/54/442843054.db2.gz GBTNILFWCMLVLC-MRXNPFEDSA-N 2 2 333.480 1.925 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000268090555 442843061 /nfs/dbraw/zinc/84/30/61/442843061.db2.gz GBTNILFWCMLVLC-MRXNPFEDSA-N 2 2 333.480 1.925 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000268142516 442867648 /nfs/dbraw/zinc/86/76/48/442867648.db2.gz RMHXXMSJOGLGMN-YOEHRIQHSA-N 2 2 343.475 1.964 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000268142516 442867650 /nfs/dbraw/zinc/86/76/50/442867650.db2.gz RMHXXMSJOGLGMN-YOEHRIQHSA-N 2 2 343.475 1.964 20 0 EDADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CS(C)(=O)=O)CC2)oc1C ZINC000182956690 442854555 /nfs/dbraw/zinc/85/45/55/442854555.db2.gz JODVNFKUPCBBHU-GFCCVEGCSA-N 2 2 343.493 1.526 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1(C)C ZINC000181464344 318484479 /nfs/dbraw/zinc/48/44/79/318484479.db2.gz HKSUQPYZZVNBBE-DLBZAZTESA-N 2 2 347.507 1.782 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H](C)C[NH+]3CCOCC3)cn2c1 ZINC000265751567 442907423 /nfs/dbraw/zinc/90/74/23/442907423.db2.gz PFTJIFKKGRTJPT-OAHLLOKOSA-N 2 2 345.447 1.410 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[NH+]2CCCC2)CC1 ZINC000183384327 318523343 /nfs/dbraw/zinc/52/33/43/318523343.db2.gz JISVPBYBHUMUMI-HNNXBMFYSA-N 2 2 339.480 1.252 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000265862169 442949768 /nfs/dbraw/zinc/94/97/68/442949768.db2.gz WWBDFFFXWHRLSA-UHFFFAOYSA-N 2 2 329.444 1.439 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183570729 442942152 /nfs/dbraw/zinc/94/21/52/442942152.db2.gz LXVGUZYCBYUNCN-OAHLLOKOSA-N 2 2 333.480 1.151 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183570729 442942155 /nfs/dbraw/zinc/94/21/55/442942155.db2.gz LXVGUZYCBYUNCN-OAHLLOKOSA-N 2 2 333.480 1.151 20 0 EDADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000268325465 442947960 /nfs/dbraw/zinc/94/79/60/442947960.db2.gz CYFOVPOENWYQPA-QFBILLFUSA-N 2 2 345.487 1.977 20 0 EDADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000268325465 442947964 /nfs/dbraw/zinc/94/79/64/442947964.db2.gz CYFOVPOENWYQPA-QFBILLFUSA-N 2 2 345.487 1.977 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000268423272 442983425 /nfs/dbraw/zinc/98/34/25/442983425.db2.gz BKZGZMZULPCVOY-UHFFFAOYSA-N 2 2 330.432 1.228 20 0 EDADLP CC(C)[C@@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)[NH+]1CCOCC1 ZINC000268436014 442988334 /nfs/dbraw/zinc/98/83/34/442988334.db2.gz SKXBLODOGXDXQW-CYBMUJFWSA-N 2 2 331.424 1.013 20 0 EDADLP O=C1COc2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2N1 ZINC000294783640 318619680 /nfs/dbraw/zinc/61/96/80/318619680.db2.gz BXNBHHZAHHPWBS-UHFFFAOYSA-N 2 2 344.459 1.231 20 0 EDADLP CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000183680717 442952480 /nfs/dbraw/zinc/95/24/80/442952480.db2.gz ITCFLBOJBXGMCA-MRXNPFEDSA-N 2 2 337.464 1.311 20 0 EDADLP CO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC[C@H]1C ZINC000251634745 443015604 /nfs/dbraw/zinc/01/56/04/443015604.db2.gz GZMNEMWOFYOLLK-NVXWUHKLSA-N 2 2 335.448 1.281 20 0 EDADLP CO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC[C@H]1C ZINC000251634745 443015606 /nfs/dbraw/zinc/01/56/06/443015606.db2.gz GZMNEMWOFYOLLK-NVXWUHKLSA-N 2 2 335.448 1.281 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[NH+]1CCOCC1 ZINC000236631216 443142100 /nfs/dbraw/zinc/14/21/00/443142100.db2.gz LZLCBHIVDOZBPQ-IEBWSBKVSA-N 2 2 345.487 1.737 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1NC(C)=O ZINC000268908126 443144340 /nfs/dbraw/zinc/14/43/40/443144340.db2.gz MFBNYENXOLJZEL-BBRMVZONSA-N 2 2 334.464 1.550 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1NC(C)=O ZINC000268908126 443144341 /nfs/dbraw/zinc/14/43/41/443144341.db2.gz MFBNYENXOLJZEL-BBRMVZONSA-N 2 2 334.464 1.550 20 0 EDADLP CC(=O)c1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000268780622 443105994 /nfs/dbraw/zinc/10/59/94/443105994.db2.gz CDCHPKYKINCBMT-UHFFFAOYSA-N 2 2 331.460 1.987 20 0 EDADLP CC(=O)c1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000268780622 443105997 /nfs/dbraw/zinc/10/59/97/443105997.db2.gz CDCHPKYKINCBMT-UHFFFAOYSA-N 2 2 331.460 1.987 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000268801638 443112904 /nfs/dbraw/zinc/11/29/04/443112904.db2.gz JLYWPIYPBVOCKQ-QUCCMNQESA-N 4 2 345.535 1.914 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000185035571 443123268 /nfs/dbraw/zinc/12/32/68/443123268.db2.gz MVPNZJQDTJYDQZ-DZGCQCFKSA-N 2 2 344.463 1.242 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000185035571 443123271 /nfs/dbraw/zinc/12/32/71/443123271.db2.gz MVPNZJQDTJYDQZ-DZGCQCFKSA-N 2 2 344.463 1.242 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268950083 443157117 /nfs/dbraw/zinc/15/71/17/443157117.db2.gz PMKNIFKLTZYVDC-HNNXBMFYSA-N 2 2 336.455 1.993 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268964008 443160986 /nfs/dbraw/zinc/16/09/86/443160986.db2.gz YASPCNNMSGRHTG-AEFFLSMTSA-N 3 2 334.508 1.523 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268964008 443160988 /nfs/dbraw/zinc/16/09/88/443160988.db2.gz YASPCNNMSGRHTG-AEFFLSMTSA-N 3 2 334.508 1.523 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266540757 443162235 /nfs/dbraw/zinc/16/22/35/443162235.db2.gz QSWHDYWGNQDZHU-UHFFFAOYSA-N 2 2 327.432 1.319 20 0 EDADLP CN(C(=O)[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245632349 443241301 /nfs/dbraw/zinc/24/13/01/443241301.db2.gz DWBNSOXBUPVEON-KURKYZTESA-N 2 2 337.508 1.961 20 0 EDADLP CN(C(=O)[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245632349 443241303 /nfs/dbraw/zinc/24/13/03/443241303.db2.gz DWBNSOXBUPVEON-KURKYZTESA-N 2 2 337.508 1.961 20 0 EDADLP C[NH+](C)CCOc1cccc(-c2noc([C@H]3C[N@H+](C)CCO3)n2)c1 ZINC000351222784 319097635 /nfs/dbraw/zinc/09/76/35/319097635.db2.gz XVMUGPXOQOWTFP-OAHLLOKOSA-N 2 2 332.404 1.680 20 0 EDADLP C[NH+](C)CCOc1cccc(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)c1 ZINC000351222784 319097636 /nfs/dbraw/zinc/09/76/36/319097636.db2.gz XVMUGPXOQOWTFP-OAHLLOKOSA-N 2 2 332.404 1.680 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC000387440091 319131463 /nfs/dbraw/zinc/13/14/63/319131463.db2.gz PJQOELXEGOOKJV-GOSISDBHSA-N 2 2 328.460 1.888 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC000387440091 319131465 /nfs/dbraw/zinc/13/14/65/319131465.db2.gz PJQOELXEGOOKJV-GOSISDBHSA-N 2 2 328.460 1.888 20 0 EDADLP C[NH+]1CCC(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000266816104 443253941 /nfs/dbraw/zinc/25/39/41/443253941.db2.gz JPFYMGYIJHEDDW-UHFFFAOYSA-N 2 2 331.460 1.551 20 0 EDADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000414082864 319316110 /nfs/dbraw/zinc/31/61/10/319316110.db2.gz FXXZHYZGPKNJKN-SOUVJXGZSA-N 2 2 325.497 1.898 20 0 EDADLP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000414082864 319316112 /nfs/dbraw/zinc/31/61/12/319316112.db2.gz FXXZHYZGPKNJKN-SOUVJXGZSA-N 2 2 325.497 1.898 20 0 EDADLP CCc1ncc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000414380780 319325648 /nfs/dbraw/zinc/32/56/48/319325648.db2.gz HHNRDSSXYJKOOJ-UHFFFAOYSA-N 2 2 328.464 1.832 20 0 EDADLP CCc1ncc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000414380780 319325651 /nfs/dbraw/zinc/32/56/51/319325651.db2.gz HHNRDSSXYJKOOJ-UHFFFAOYSA-N 2 2 328.464 1.832 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](CN2CC[NH+](Cc3cccs3)CC2)C1 ZINC000414674726 319339713 /nfs/dbraw/zinc/33/97/13/319339713.db2.gz FBNXVZGSGCCUGE-HNNXBMFYSA-N 2 2 336.505 1.063 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[NH2+]C(C)(C)C)CC2)CC1 ZINC000414687350 319342106 /nfs/dbraw/zinc/34/21/06/319342106.db2.gz CMZZZXIVYCFLHN-UHFFFAOYSA-N 3 2 338.540 1.641 20 0 EDADLP CN(C)c1cc(NC(=O)NCC(C)(C)[NH3+])[nH+]cc1Br ZINC000415793246 319370484 /nfs/dbraw/zinc/37/04/84/319370484.db2.gz SYNSBHDAXUFBRZ-UHFFFAOYSA-N 2 2 330.230 1.769 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc2c(s1)CCC2 ZINC000416157526 319393812 /nfs/dbraw/zinc/39/38/12/319393812.db2.gz IXGBUXWHMWRTHG-UHFFFAOYSA-N 2 2 336.505 1.730 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc2c(s1)CCC2 ZINC000416157526 319393813 /nfs/dbraw/zinc/39/38/13/319393813.db2.gz IXGBUXWHMWRTHG-UHFFFAOYSA-N 2 2 336.505 1.730 20 0 EDADLP CCOC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000191295579 443274363 /nfs/dbraw/zinc/27/43/63/443274363.db2.gz JKFLUNRUEHPJPS-MRXNPFEDSA-N 2 2 328.501 1.373 20 0 EDADLP CN(C(=O)c1ccccc1C[NH+]1CCOCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000266911021 443288125 /nfs/dbraw/zinc/28/81/25/443288125.db2.gz SJNKRRYHUBOKAE-QGZVFWFLSA-N 2 2 331.460 1.685 20 0 EDADLP CN(C(=O)c1ccccc1C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000266911021 443288126 /nfs/dbraw/zinc/28/81/26/443288126.db2.gz SJNKRRYHUBOKAE-QGZVFWFLSA-N 2 2 331.460 1.685 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416829009 319464760 /nfs/dbraw/zinc/46/47/60/319464760.db2.gz SSRGXSTWEPNWKH-CHWSQXEVSA-N 2 2 326.466 1.158 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000416885989 319469180 /nfs/dbraw/zinc/46/91/80/319469180.db2.gz NBFAYLWZCBLIAB-ZWKOTPCHSA-N 2 2 346.475 1.501 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000418690677 319511800 /nfs/dbraw/zinc/51/18/00/319511800.db2.gz PQHCUZPWYWISEF-HNNXBMFYSA-N 2 2 334.464 1.650 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(=O)[nH]c(C3CC3)c2)CC1 ZINC000186029217 443299596 /nfs/dbraw/zinc/29/95/96/443299596.db2.gz XUJDMUKVVDEUIQ-UHFFFAOYSA-N 2 2 332.448 1.008 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000264689562 443376145 /nfs/dbraw/zinc/37/61/45/443376145.db2.gz GVNCPFBPAZWUOF-RBUKOAKNSA-N 2 2 335.467 1.961 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000264689562 443376150 /nfs/dbraw/zinc/37/61/50/443376150.db2.gz GVNCPFBPAZWUOF-RBUKOAKNSA-N 2 2 335.467 1.961 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000264710464 443385465 /nfs/dbraw/zinc/38/54/65/443385465.db2.gz DLTFAPALMMASLE-GJZGRUSLSA-N 2 2 336.455 1.403 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000264624667 443351900 /nfs/dbraw/zinc/35/19/00/443351900.db2.gz MFTPOJFKFYKEFX-AATRIKPKSA-N 2 2 330.476 1.880 20 0 EDADLP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000278738670 443420013 /nfs/dbraw/zinc/42/00/13/443420013.db2.gz UULQQSJMVDNMPW-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000278738670 443420019 /nfs/dbraw/zinc/42/00/19/443420019.db2.gz UULQQSJMVDNMPW-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2ccccc21 ZINC000264870972 443461219 /nfs/dbraw/zinc/46/12/19/443461219.db2.gz GQXWGVZQYKHSHV-UHFFFAOYSA-N 2 2 343.475 1.521 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2ccccc21 ZINC000264870972 443461222 /nfs/dbraw/zinc/46/12/22/443461222.db2.gz GQXWGVZQYKHSHV-UHFFFAOYSA-N 2 2 343.475 1.521 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CCN3CCOCC3)c2cc1C ZINC000264877609 443463479 /nfs/dbraw/zinc/46/34/79/443463479.db2.gz TUAKRDAASXKCBM-KRWDZBQOSA-N 2 2 346.475 1.278 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CCN3CCOCC3)c2cc1C ZINC000264877609 443463483 /nfs/dbraw/zinc/46/34/83/443463483.db2.gz TUAKRDAASXKCBM-KRWDZBQOSA-N 2 2 346.475 1.278 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422729105 319733895 /nfs/dbraw/zinc/73/38/95/319733895.db2.gz BHSYHGDCGOLBEJ-BBRMVZONSA-N 2 2 325.478 1.603 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000283025480 443500131 /nfs/dbraw/zinc/50/01/31/443500131.db2.gz HFEYHKFUKQNLFA-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000283025480 443500134 /nfs/dbraw/zinc/50/01/34/443500134.db2.gz HFEYHKFUKQNLFA-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CN(CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283025480 443500136 /nfs/dbraw/zinc/50/01/36/443500136.db2.gz HFEYHKFUKQNLFA-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CN(CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283025480 443500138 /nfs/dbraw/zinc/50/01/38/443500138.db2.gz HFEYHKFUKQNLFA-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000283106791 443524519 /nfs/dbraw/zinc/52/45/19/443524519.db2.gz XSJZPHSATONNOT-IXDOHACOSA-N 2 2 343.471 1.881 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000283106791 443524523 /nfs/dbraw/zinc/52/45/23/443524523.db2.gz XSJZPHSATONNOT-IXDOHACOSA-N 2 2 343.471 1.881 20 0 EDADLP O=C1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C2(CCC2)N1 ZINC000283200725 443557802 /nfs/dbraw/zinc/55/78/02/443557802.db2.gz LHGJSWKFGAIRQN-KRWDZBQOSA-N 2 2 328.460 1.837 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423886569 319824537 /nfs/dbraw/zinc/82/45/37/319824537.db2.gz XSZAXKGVCCATPK-FPSMNIFISA-N 2 2 335.492 1.476 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272290549 443582507 /nfs/dbraw/zinc/58/25/07/443582507.db2.gz FOTFQHKDFTUGLN-UHFFFAOYSA-N 2 2 329.404 1.062 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272290549 443582510 /nfs/dbraw/zinc/58/25/10/443582510.db2.gz FOTFQHKDFTUGLN-UHFFFAOYSA-N 2 2 329.404 1.062 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000283163831 443546432 /nfs/dbraw/zinc/54/64/32/443546432.db2.gz PDFINKZHUDFAGF-SFHVURJKSA-N 2 2 331.460 1.094 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000283163831 443546437 /nfs/dbraw/zinc/54/64/37/443546437.db2.gz PDFINKZHUDFAGF-SFHVURJKSA-N 2 2 331.460 1.094 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000265286343 443595822 /nfs/dbraw/zinc/59/58/22/443595822.db2.gz KXPQORCFYXOYHK-CQSZACIVSA-N 2 2 329.404 1.060 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000265286343 443595826 /nfs/dbraw/zinc/59/58/26/443595826.db2.gz KXPQORCFYXOYHK-CQSZACIVSA-N 2 2 329.404 1.060 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000431899480 319949245 /nfs/dbraw/zinc/94/92/45/319949245.db2.gz BUIGPYTWTYIGGP-MRXNPFEDSA-N 2 2 334.464 1.701 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c[nH+]1 ZINC000272407281 443616015 /nfs/dbraw/zinc/61/60/15/443616015.db2.gz DYDSBJIPDJQTHZ-HZPDHXFCSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c[nH+]1 ZINC000272407281 443616016 /nfs/dbraw/zinc/61/60/16/443616016.db2.gz DYDSBJIPDJQTHZ-HZPDHXFCSA-N 2 2 331.464 1.773 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(CO)o1 ZINC000279945560 443647063 /nfs/dbraw/zinc/64/70/63/443647063.db2.gz OJSSNVIUFXNCBX-KBPBESRZSA-N 2 2 336.411 1.550 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(CO)o1 ZINC000279945560 443647068 /nfs/dbraw/zinc/64/70/68/443647068.db2.gz OJSSNVIUFXNCBX-KBPBESRZSA-N 2 2 336.411 1.550 20 0 EDADLP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000286105652 443647408 /nfs/dbraw/zinc/64/74/08/443647408.db2.gz NJJJTZBRAFPMRF-DGCLKSJQSA-N 2 2 339.461 1.525 20 0 EDADLP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000286105652 443647409 /nfs/dbraw/zinc/64/74/09/443647409.db2.gz NJJJTZBRAFPMRF-DGCLKSJQSA-N 2 2 339.461 1.525 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(C)c1 ZINC000286114514 443648409 /nfs/dbraw/zinc/64/84/09/443648409.db2.gz NFWVGESMLBLWTK-MOPGFXCFSA-N 2 2 345.487 1.969 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433374578 319978556 /nfs/dbraw/zinc/97/85/56/319978556.db2.gz JLPCIZTVMYJFSO-HNNXBMFYSA-N 2 2 337.387 1.641 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000438572253 320036240 /nfs/dbraw/zinc/03/62/40/320036240.db2.gz PDHSUGRMXURVTN-ROUUACIJSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000438572253 320036243 /nfs/dbraw/zinc/03/62/43/320036243.db2.gz PDHSUGRMXURVTN-ROUUACIJSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000441614814 320099341 /nfs/dbraw/zinc/09/93/41/320099341.db2.gz XCJHSVNIBLMBDS-CYBMUJFWSA-N 2 2 329.404 1.237 20 0 EDADLP Cc1nn(C)c(C[NH2+]CCC[NH+]2CCC(O)CC2)c1Br ZINC000447892914 320146394 /nfs/dbraw/zinc/14/63/94/320146394.db2.gz JWOLMHAODREGQD-UHFFFAOYSA-N 2 2 345.285 1.427 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCC[C@H]1C ZINC000449228401 320180243 /nfs/dbraw/zinc/18/02/43/320180243.db2.gz YSIXPVWZOOFLFK-XDNAFOTISA-N 2 2 337.508 1.724 20 0 EDADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449387926 320186552 /nfs/dbraw/zinc/18/65/52/320186552.db2.gz NNLYBPWYJFUCDS-IAGOWNOFSA-N 2 2 325.497 1.604 20 0 EDADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449387926 320186554 /nfs/dbraw/zinc/18/65/54/320186554.db2.gz NNLYBPWYJFUCDS-IAGOWNOFSA-N 2 2 325.497 1.604 20 0 EDADLP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCCC[N@@H+]3CCO)cnc21 ZINC000449396514 320188678 /nfs/dbraw/zinc/18/86/78/320188678.db2.gz SCJRMJJZHPKJPH-QGZVFWFLSA-N 2 2 331.464 1.949 20 0 EDADLP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCCC[N@H+]3CCO)cnc21 ZINC000449396514 320188679 /nfs/dbraw/zinc/18/86/79/320188679.db2.gz SCJRMJJZHPKJPH-QGZVFWFLSA-N 2 2 331.464 1.949 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000449470869 320191953 /nfs/dbraw/zinc/19/19/53/320191953.db2.gz LJQWEMMVMZVEDK-CJNGLKHVSA-N 2 2 325.478 1.367 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000449470869 320191955 /nfs/dbraw/zinc/19/19/55/320191955.db2.gz LJQWEMMVMZVEDK-CJNGLKHVSA-N 2 2 325.478 1.367 20 0 EDADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000453275281 320261964 /nfs/dbraw/zinc/26/19/64/320261964.db2.gz WUZCYTXANQFFOE-OXQOHEQNSA-N 2 2 347.503 1.863 20 0 EDADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453275281 320261965 /nfs/dbraw/zinc/26/19/65/320261965.db2.gz WUZCYTXANQFFOE-OXQOHEQNSA-N 2 2 347.503 1.863 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC000453637529 320265428 /nfs/dbraw/zinc/26/54/28/320265428.db2.gz UYNDJKMOMLCUCC-JKSUJKDBSA-N 2 2 337.464 1.147 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000454599019 320290502 /nfs/dbraw/zinc/29/05/02/320290502.db2.gz HXKZLACSIKXEHW-SWLSCSKDSA-N 2 2 325.482 1.701 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000458598484 320337823 /nfs/dbraw/zinc/33/78/23/320337823.db2.gz PSAVIKHZJLZBAY-HNAWSFBYSA-N 2 2 346.519 1.866 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000505706615 320427625 /nfs/dbraw/zinc/42/76/25/320427625.db2.gz OWFZJKNGYBIOMW-UHFFFAOYSA-N 2 2 326.485 1.226 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCC1 ZINC000286381658 443701858 /nfs/dbraw/zinc/70/18/58/443701858.db2.gz NEGGTZYQMKRYBS-AWEZNQCLSA-N 2 2 347.463 1.106 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCC1 ZINC000286381658 443701861 /nfs/dbraw/zinc/70/18/61/443701861.db2.gz NEGGTZYQMKRYBS-AWEZNQCLSA-N 2 2 347.463 1.106 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC2Cc3ccccc3C2)C[C@@H](C)O1 ZINC000516862012 320441845 /nfs/dbraw/zinc/44/18/45/320441845.db2.gz DMYGMJBMZBJCAA-JXXFODFXSA-N 2 2 332.488 1.851 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000283757421 443709372 /nfs/dbraw/zinc/70/93/72/443709372.db2.gz AWEMLGVZFYCPFH-JKSUJKDBSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000283757421 443709377 /nfs/dbraw/zinc/70/93/77/443709377.db2.gz AWEMLGVZFYCPFH-JKSUJKDBSA-N 2 2 349.479 1.016 20 0 EDADLP CC[NH+]1CCC(NC(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)CC1 ZINC000276456268 443712460 /nfs/dbraw/zinc/71/24/60/443712460.db2.gz MVPHKKWSDVXPEB-MRXNPFEDSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)CC1 ZINC000276456268 443712464 /nfs/dbraw/zinc/71/24/64/443712464.db2.gz MVPHKKWSDVXPEB-MRXNPFEDSA-N 2 2 346.479 1.177 20 0 EDADLP C[C@H](c1cccc(NC[C@@H](O)C[NH+]2CCOCC2)c1)[NH+]1CCOCC1 ZINC000520220244 320475794 /nfs/dbraw/zinc/47/57/94/320475794.db2.gz WMWCBRZEYVUQNQ-VQIMIIECSA-N 2 2 349.475 1.185 20 0 EDADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000298538902 443794563 /nfs/dbraw/zinc/79/45/63/443794563.db2.gz BDMLVHUNASLFFU-UONOGXRCSA-N 2 2 333.436 1.016 20 0 EDADLP COc1cc(NC(=O)C[N@H+](C)CCc2c[nH+]cn2C)cc(OC)c1 ZINC000298541973 443795533 /nfs/dbraw/zinc/79/55/33/443795533.db2.gz SZOHSSBVIMZVOF-UHFFFAOYSA-N 2 2 332.404 1.550 20 0 EDADLP COc1cc(NC(=O)C[N@@H+](C)CCc2c[nH+]cn2C)cc(OC)c1 ZINC000298541973 443795538 /nfs/dbraw/zinc/79/55/38/443795538.db2.gz SZOHSSBVIMZVOF-UHFFFAOYSA-N 2 2 332.404 1.550 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc3ccccc3c(=O)o2)CC1 ZINC000280824048 443751508 /nfs/dbraw/zinc/75/15/08/443751508.db2.gz OGFJHDSZZYSRHK-UHFFFAOYSA-N 2 2 343.427 1.549 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288089722 443768283 /nfs/dbraw/zinc/76/82/83/443768283.db2.gz HJMOUJGBVJPNOV-AWEZNQCLSA-N 2 2 335.452 1.311 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288089722 443768285 /nfs/dbraw/zinc/76/82/85/443768285.db2.gz HJMOUJGBVJPNOV-AWEZNQCLSA-N 2 2 335.452 1.311 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528731984 320560225 /nfs/dbraw/zinc/56/02/25/320560225.db2.gz WFVAOQUIJMNYMG-SFHVURJKSA-N 2 2 348.487 1.921 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000276637707 443773446 /nfs/dbraw/zinc/77/34/46/443773446.db2.gz UNMUZNWAQCKHQK-GOSISDBHSA-N 2 2 342.443 1.236 20 0 EDADLP CN(C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1nccs1 ZINC000530241790 320617080 /nfs/dbraw/zinc/61/70/80/320617080.db2.gz RJRGHMFUODROPJ-CQSZACIVSA-N 2 2 338.477 1.196 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000298571197 443803118 /nfs/dbraw/zinc/80/31/18/443803118.db2.gz POXCPVXAVMBHBP-WBVHZDCISA-N 2 2 334.464 1.309 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCO1 ZINC000298585354 443807524 /nfs/dbraw/zinc/80/75/24/443807524.db2.gz YDMFQFNWVJBDCT-MJGOQNOKSA-N 2 2 347.503 1.848 20 0 EDADLP O[C@H](C[NH2+]Cc1cnc2cnccn12)C[N@@H+]1CCc2ccccc2C1 ZINC000292863410 443862903 /nfs/dbraw/zinc/86/29/03/443862903.db2.gz AXLHMESXNLRZNL-GOSISDBHSA-N 2 2 337.427 1.238 20 0 EDADLP O[C@H](C[NH2+]Cc1cnc2cnccn12)C[N@H+]1CCc2ccccc2C1 ZINC000292863410 443862907 /nfs/dbraw/zinc/86/29/07/443862907.db2.gz AXLHMESXNLRZNL-GOSISDBHSA-N 2 2 337.427 1.238 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292862154 443863521 /nfs/dbraw/zinc/86/35/21/443863521.db2.gz CNKADQJTRKJEFW-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292862154 443863526 /nfs/dbraw/zinc/86/35/26/443863526.db2.gz CNKADQJTRKJEFW-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292862154 443863529 /nfs/dbraw/zinc/86/35/29/443863529.db2.gz CNKADQJTRKJEFW-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292862154 443863533 /nfs/dbraw/zinc/86/35/33/443863533.db2.gz CNKADQJTRKJEFW-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(F)cc1 ZINC000299060449 443942475 /nfs/dbraw/zinc/94/24/75/443942475.db2.gz IVKHDSHISMTSIW-UHFFFAOYSA-N 2 2 337.439 1.689 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(F)cc1 ZINC000299060449 443942477 /nfs/dbraw/zinc/94/24/77/443942477.db2.gz IVKHDSHISMTSIW-UHFFFAOYSA-N 2 2 337.439 1.689 20 0 EDADLP COc1cccc(OCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000299070879 443944949 /nfs/dbraw/zinc/94/49/49/443944949.db2.gz KKDYUPHVDSSYHE-UHFFFAOYSA-N 2 2 349.475 1.558 20 0 EDADLP COc1cccc(OCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000299070879 443944952 /nfs/dbraw/zinc/94/49/52/443944952.db2.gz KKDYUPHVDSSYHE-UHFFFAOYSA-N 2 2 349.475 1.558 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)[C@H]1c1ccccc1 ZINC000293068908 443916907 /nfs/dbraw/zinc/91/69/07/443916907.db2.gz SATFFJUVWMQRDA-IAGOWNOFSA-N 2 2 325.416 1.854 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)nc[nH+]1 ZINC000299147792 443967687 /nfs/dbraw/zinc/96/76/87/443967687.db2.gz YQEOCJQSBITCFH-CQSZACIVSA-N 2 2 327.432 1.590 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)nc[nH+]1 ZINC000299147792 443967688 /nfs/dbraw/zinc/96/76/88/443967688.db2.gz YQEOCJQSBITCFH-CQSZACIVSA-N 2 2 327.432 1.590 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[N@@H+]1C1CC1 ZINC000299192662 443979274 /nfs/dbraw/zinc/97/92/74/443979274.db2.gz DJYCYYUSQFYJRU-WCQYABFASA-N 2 2 327.388 1.014 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[N@H+]1C1CC1 ZINC000299192662 443979276 /nfs/dbraw/zinc/97/92/76/443979276.db2.gz DJYCYYUSQFYJRU-WCQYABFASA-N 2 2 327.388 1.014 20 0 EDADLP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000288815769 443990606 /nfs/dbraw/zinc/99/06/06/443990606.db2.gz MQKUUJFXHYJNOJ-CQSZACIVSA-N 2 2 343.431 1.070 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)NC(=O)Nc1ccccc1 ZINC000299557371 444078807 /nfs/dbraw/zinc/07/88/07/444078807.db2.gz GMZGIZZCVOSGKR-UHFFFAOYSA-N 2 2 329.404 1.943 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)NC(=O)Nc1ccccc1 ZINC000299557371 444078811 /nfs/dbraw/zinc/07/88/11/444078811.db2.gz GMZGIZZCVOSGKR-UHFFFAOYSA-N 2 2 329.404 1.943 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C)n1 ZINC000285660109 444063142 /nfs/dbraw/zinc/06/31/42/444063142.db2.gz MEBDGVKYRFHLGS-LNRIEFBSSA-N 2 2 345.491 1.828 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(C)n1 ZINC000285660109 444063147 /nfs/dbraw/zinc/06/31/47/444063147.db2.gz MEBDGVKYRFHLGS-LNRIEFBSSA-N 2 2 345.491 1.828 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCC[NH2+]1 ZINC000562959588 321083794 /nfs/dbraw/zinc/08/37/94/321083794.db2.gz KUAAPUSADDRKHL-SJORKVTESA-N 2 2 337.489 1.847 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000563212905 321100775 /nfs/dbraw/zinc/10/07/75/321100775.db2.gz FVRDJGJCAGKEFY-QGZVFWFLSA-N 2 2 333.480 1.213 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000563283980 321105142 /nfs/dbraw/zinc/10/51/42/321105142.db2.gz PTLAKGOFIFKPMR-MRXNPFEDSA-N 2 2 347.507 1.286 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000563283980 321105144 /nfs/dbraw/zinc/10/51/44/321105144.db2.gz PTLAKGOFIFKPMR-MRXNPFEDSA-N 2 2 347.507 1.286 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000564772774 321146699 /nfs/dbraw/zinc/14/66/99/321146699.db2.gz RITVKJXHFCFCCW-UYAOXDASSA-N 2 2 340.471 1.369 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccn3cc[nH+]c3c2)[N@H+](C)C1 ZINC000285742282 444093198 /nfs/dbraw/zinc/09/31/98/444093198.db2.gz YZPBRBOYBMIMCA-GJZGRUSLSA-N 2 2 331.420 1.195 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccn3cc[nH+]c3c2)[N@@H+](C)C1 ZINC000285742282 444093204 /nfs/dbraw/zinc/09/32/04/444093204.db2.gz YZPBRBOYBMIMCA-GJZGRUSLSA-N 2 2 331.420 1.195 20 0 EDADLP CCn1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000565000030 321164337 /nfs/dbraw/zinc/16/43/37/321164337.db2.gz IEURZPZEVHAYQI-UHFFFAOYSA-N 2 2 333.480 1.583 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000565232630 321177413 /nfs/dbraw/zinc/17/74/13/321177413.db2.gz AYBPGEFZFKIBFV-AAEUAGOBSA-N 2 2 331.313 1.588 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000565232630 321177415 /nfs/dbraw/zinc/17/74/15/321177415.db2.gz AYBPGEFZFKIBFV-AAEUAGOBSA-N 2 2 331.313 1.588 20 0 EDADLP [NH3+][C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1cscn1 ZINC000565361170 321183327 /nfs/dbraw/zinc/18/33/27/321183327.db2.gz IDKSDICJHJTGNX-CQSZACIVSA-N 2 2 338.477 1.294 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000566189481 321221909 /nfs/dbraw/zinc/22/19/09/321221909.db2.gz LBPQAZPPCAXQIC-UHFFFAOYSA-N 2 2 326.404 1.268 20 0 EDADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000567120921 321241576 /nfs/dbraw/zinc/24/15/76/321241576.db2.gz SRUFWTOPALSMLO-MRXNPFEDSA-N 2 2 343.874 1.909 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000567120921 321241577 /nfs/dbraw/zinc/24/15/77/321241577.db2.gz SRUFWTOPALSMLO-MRXNPFEDSA-N 2 2 343.874 1.909 20 0 EDADLP COc1cc(NC(=O)CC[N@H+](C)[C@H]2CC[NH2+]C2)c(OC)cc1Cl ZINC000567893377 321266445 /nfs/dbraw/zinc/26/64/45/321266445.db2.gz KTLHTADAQMKPQL-NSHDSACASA-N 2 2 341.839 1.980 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH2+]C2)c(OC)cc1Cl ZINC000567893377 321266446 /nfs/dbraw/zinc/26/64/46/321266446.db2.gz KTLHTADAQMKPQL-NSHDSACASA-N 2 2 341.839 1.980 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)C2 ZINC000568222249 321282316 /nfs/dbraw/zinc/28/23/16/321282316.db2.gz LNBJVBICGYDFMS-CQSZACIVSA-N 2 2 340.418 1.847 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)c2ccccc2C1 ZINC000568357171 321287565 /nfs/dbraw/zinc/28/75/65/321287565.db2.gz DXLZBYMJWBMCEO-QUCCMNQESA-N 2 2 345.487 1.916 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)c2ccccc2C1 ZINC000568357171 321287567 /nfs/dbraw/zinc/28/75/67/321287567.db2.gz DXLZBYMJWBMCEO-QUCCMNQESA-N 2 2 345.487 1.916 20 0 EDADLP Cn1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(-c2ccccc2)n1 ZINC000568381659 321288622 /nfs/dbraw/zinc/28/86/22/321288622.db2.gz ZWAOECLDNVEIDN-IEBWSBKVSA-N 2 2 326.444 1.944 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000568409260 321290653 /nfs/dbraw/zinc/29/06/53/321290653.db2.gz DGIKTFBWZYHSEU-QWRGUYRKSA-N 2 2 329.326 1.858 20 0 EDADLP CC(=O)Nc1ccc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000568741504 321304001 /nfs/dbraw/zinc/30/40/01/321304001.db2.gz VYKBBAXGSGMXTK-KHYOSLBOSA-N 2 2 349.475 1.247 20 0 EDADLP CC(=O)Nc1ccc(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000568741504 321304003 /nfs/dbraw/zinc/30/40/03/321304003.db2.gz VYKBBAXGSGMXTK-KHYOSLBOSA-N 2 2 349.475 1.247 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)[nH+]c12 ZINC000568843564 321307905 /nfs/dbraw/zinc/30/79/05/321307905.db2.gz ASIJEAWHOOLTOX-GASCZTMLSA-N 2 2 330.432 1.099 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)[nH+]c12 ZINC000568843564 321307906 /nfs/dbraw/zinc/30/79/06/321307906.db2.gz ASIJEAWHOOLTOX-GASCZTMLSA-N 2 2 330.432 1.099 20 0 EDADLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCC[NH2+]1 ZINC000570035727 321334931 /nfs/dbraw/zinc/33/49/31/321334931.db2.gz OQGIQWMRFNDAFL-GXFFZTMASA-N 2 2 349.859 1.488 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570263266 321343064 /nfs/dbraw/zinc/34/30/64/321343064.db2.gz WZEPWKIAAOTGNP-GASCZTMLSA-N 2 2 326.404 1.685 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1)C1CC1 ZINC000289360474 444118066 /nfs/dbraw/zinc/11/80/66/444118066.db2.gz MXBJCNNQCDJYLX-SFHVURJKSA-N 2 2 347.459 1.498 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1)C1CC1 ZINC000289360474 444118069 /nfs/dbraw/zinc/11/80/69/444118069.db2.gz MXBJCNNQCDJYLX-SFHVURJKSA-N 2 2 347.459 1.498 20 0 EDADLP Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570956034 321366691 /nfs/dbraw/zinc/36/66/91/321366691.db2.gz PSROQRUJPQHPOD-JKIFEVAISA-N 2 2 338.496 1.029 20 0 EDADLP Cc1nn(C)c(C)c1CCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570956034 321366693 /nfs/dbraw/zinc/36/66/93/321366693.db2.gz PSROQRUJPQHPOD-JKIFEVAISA-N 2 2 338.496 1.029 20 0 EDADLP Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000282333487 444150500 /nfs/dbraw/zinc/15/05/00/444150500.db2.gz VJEIFQUAPNUMDG-HNNXBMFYSA-N 2 2 342.443 1.474 20 0 EDADLP Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000282333487 444150502 /nfs/dbraw/zinc/15/05/02/444150502.db2.gz VJEIFQUAPNUMDG-HNNXBMFYSA-N 2 2 342.443 1.474 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCO[C@H]21 ZINC000294535671 444122241 /nfs/dbraw/zinc/12/22/41/444122241.db2.gz AIMQYKGYEJKSAB-NCXUSEDFSA-N 2 2 330.472 1.809 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCO[C@H]21 ZINC000294535671 444122245 /nfs/dbraw/zinc/12/22/45/444122245.db2.gz AIMQYKGYEJKSAB-NCXUSEDFSA-N 2 2 330.472 1.809 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282249115 444126137 /nfs/dbraw/zinc/12/61/37/444126137.db2.gz JKWZCMGQAVYJRX-SCLBCKFNSA-N 2 2 326.444 1.565 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282249115 444126142 /nfs/dbraw/zinc/12/61/42/444126142.db2.gz JKWZCMGQAVYJRX-SCLBCKFNSA-N 2 2 326.444 1.565 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299734120 444127924 /nfs/dbraw/zinc/12/79/24/444127924.db2.gz ZJQNYGVWWJRONB-HNNXBMFYSA-N 2 2 341.415 1.360 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000574742055 321497821 /nfs/dbraw/zinc/49/78/21/321497821.db2.gz OGKBGKBWBCQUMW-CQSZACIVSA-N 2 2 331.395 1.953 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301975590 444199242 /nfs/dbraw/zinc/19/92/42/444199242.db2.gz VUIHLJWWNQOCNP-HNNXBMFYSA-N 2 2 340.431 1.131 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301975590 444199243 /nfs/dbraw/zinc/19/92/43/444199243.db2.gz VUIHLJWWNQOCNP-HNNXBMFYSA-N 2 2 340.431 1.131 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+](CCC[NH3+])Cc3ccccc3)sc2n1 ZINC000302067954 444202583 /nfs/dbraw/zinc/20/25/83/444202583.db2.gz PTEWLVSPKOOIRN-UHFFFAOYSA-N 2 2 343.456 1.810 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+](CCC[NH3+])Cc3ccccc3)sc2n1 ZINC000302067954 444202585 /nfs/dbraw/zinc/20/25/85/444202585.db2.gz PTEWLVSPKOOIRN-UHFFFAOYSA-N 2 2 343.456 1.810 20 0 EDADLP CC[C@H](O)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000305093896 444257516 /nfs/dbraw/zinc/25/75/16/444257516.db2.gz ZMDNPRSGZLDWBX-INIZCTEOSA-N 2 2 326.485 1.005 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000576809600 321597827 /nfs/dbraw/zinc/59/78/27/321597827.db2.gz AGWQGAYANGTDJA-HFBDOXOYSA-N 2 2 341.358 1.923 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000305210756 444265592 /nfs/dbraw/zinc/26/55/92/444265592.db2.gz PICXRIXUXKNEHO-APWZRJJASA-N 2 2 345.487 1.348 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000305210756 444265595 /nfs/dbraw/zinc/26/55/95/444265595.db2.gz PICXRIXUXKNEHO-APWZRJJASA-N 2 2 345.487 1.348 20 0 EDADLP c1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000302814704 444225615 /nfs/dbraw/zinc/22/56/15/444225615.db2.gz ACHKRVIDWOSVJC-MRXNPFEDSA-N 2 2 331.464 1.625 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000289994696 444227969 /nfs/dbraw/zinc/22/79/69/444227969.db2.gz OZPIJXYDLOITQP-KURKYZTESA-N 2 2 331.460 1.392 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000289994696 444227971 /nfs/dbraw/zinc/22/79/71/444227971.db2.gz OZPIJXYDLOITQP-KURKYZTESA-N 2 2 331.460 1.392 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000290005783 444229547 /nfs/dbraw/zinc/22/95/47/444229547.db2.gz CLJPBVZFRPTTKW-WMLDXEAASA-N 2 2 332.448 1.799 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302901776 444230493 /nfs/dbraw/zinc/23/04/93/444230493.db2.gz QSRGYGXBVPVWQD-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP c1nc(N2CCC[N@@H+](C3CCCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000302905569 444231271 /nfs/dbraw/zinc/23/12/71/444231271.db2.gz SNXGNNYJDAWWDY-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP c1nc(N2CCC[N@H+](C3CCCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000302905569 444231273 /nfs/dbraw/zinc/23/12/73/444231273.db2.gz SNXGNNYJDAWWDY-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP c1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000302916910 444231697 /nfs/dbraw/zinc/23/16/97/444231697.db2.gz WKJAVWBPYJUZBM-MRXNPFEDSA-N 2 2 331.464 1.768 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC000302916910 444231699 /nfs/dbraw/zinc/23/16/99/444231699.db2.gz WKJAVWBPYJUZBM-MRXNPFEDSA-N 2 2 331.464 1.768 20 0 EDADLP COCCN(C)c1ccc(CNc2c[nH+]ccc2-n2ccnn2)c[nH+]1 ZINC000290048363 444235392 /nfs/dbraw/zinc/23/53/92/444235392.db2.gz GGPQBUUOSMEPGX-UHFFFAOYSA-N 2 2 339.403 1.752 20 0 EDADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000577271115 321638556 /nfs/dbraw/zinc/63/85/56/321638556.db2.gz VVXCHUQXSRPIGM-FUHWJXTLSA-N 2 2 342.447 1.381 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000290100884 444242412 /nfs/dbraw/zinc/24/24/12/444242412.db2.gz HYNMLYFERWDUOB-RBUKOAKNSA-N 2 2 345.487 1.844 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000305795676 444280855 /nfs/dbraw/zinc/28/08/55/444280855.db2.gz CEMQTCBONXBEOO-NZSAHSFTSA-N 2 2 328.460 1.887 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000305795676 444280858 /nfs/dbraw/zinc/28/08/58/444280858.db2.gz CEMQTCBONXBEOO-NZSAHSFTSA-N 2 2 328.460 1.887 20 0 EDADLP CCOc1ncc(C)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000297499814 444293803 /nfs/dbraw/zinc/29/38/03/444293803.db2.gz UORHRGVWABATPR-UHFFFAOYSA-N 2 2 349.479 1.936 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311852849 444293872 /nfs/dbraw/zinc/29/38/72/444293872.db2.gz PVPBLSSIPQWSHC-BZSNNMDCSA-N 2 2 331.460 1.379 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311852849 444293875 /nfs/dbraw/zinc/29/38/75/444293875.db2.gz PVPBLSSIPQWSHC-BZSNNMDCSA-N 2 2 331.460 1.379 20 0 EDADLP C[C@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000328821852 444364718 /nfs/dbraw/zinc/36/47/18/444364718.db2.gz OYOILFJXMVJMOD-KSSFIOAISA-N 2 2 336.480 1.370 20 0 EDADLP C[C@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000328821852 444364720 /nfs/dbraw/zinc/36/47/20/444364720.db2.gz OYOILFJXMVJMOD-KSSFIOAISA-N 2 2 336.480 1.370 20 0 EDADLP O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328658220 444417791 /nfs/dbraw/zinc/41/77/91/444417791.db2.gz QQQFNUBYGVAWGC-AEFFLSMTSA-N 2 2 348.491 1.092 20 0 EDADLP O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328658220 444417794 /nfs/dbraw/zinc/41/77/94/444417794.db2.gz QQQFNUBYGVAWGC-AEFFLSMTSA-N 2 2 348.491 1.092 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C(C)(C)C ZINC000298121036 444421944 /nfs/dbraw/zinc/42/19/44/444421944.db2.gz MWLKIXQNRXFWJR-CQSZACIVSA-N 2 2 345.447 1.755 20 0 EDADLP COC[C@]1(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCC[NH2+]1 ZINC000578864481 321844372 /nfs/dbraw/zinc/84/43/72/321844372.db2.gz ICADYGHNYKJAND-BFYDXBDKSA-N 2 2 335.452 1.244 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000328886081 444388528 /nfs/dbraw/zinc/38/85/28/444388528.db2.gz ZOLCDRLQQFXTDM-TWMKSMIVSA-N 2 2 348.491 1.870 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000328886081 444388529 /nfs/dbraw/zinc/38/85/29/444388529.db2.gz ZOLCDRLQQFXTDM-TWMKSMIVSA-N 2 2 348.491 1.870 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000328975929 444431134 /nfs/dbraw/zinc/43/11/34/444431134.db2.gz CVWCORRXIPZUTP-ZWKOTPCHSA-N 2 2 340.427 1.726 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000328975929 444431135 /nfs/dbraw/zinc/43/11/35/444431135.db2.gz CVWCORRXIPZUTP-ZWKOTPCHSA-N 2 2 340.427 1.726 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000337998361 444482545 /nfs/dbraw/zinc/48/25/45/444482545.db2.gz HKLVYMMMEUTMOQ-GJZGRUSLSA-N 2 2 337.468 1.380 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(=O)[C@@H](C)C3)CC2)CC1 ZINC000580448037 322053070 /nfs/dbraw/zinc/05/30/70/322053070.db2.gz YVRUNUAZGPUZAV-HNNXBMFYSA-N 2 2 335.492 1.620 20 0 EDADLP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000580645753 322077870 /nfs/dbraw/zinc/07/78/70/322077870.db2.gz XHFLIZXHQBWTMT-NVXWUHKLSA-N 2 2 328.416 1.693 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)[C@H](C[NH3+])C1 ZINC000580703859 322084587 /nfs/dbraw/zinc/08/45/87/322084587.db2.gz OJRQZIDRWLPRJR-TZMCWYRMSA-N 2 2 338.452 1.647 20 0 EDADLP Cc1cc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc[nH+]1 ZINC000329202718 444500212 /nfs/dbraw/zinc/50/02/12/444500212.db2.gz YFXPCBNLIOBTBI-HOTGVXAUSA-N 2 2 334.464 1.880 20 0 EDADLP CCCCCS(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000581723602 322213812 /nfs/dbraw/zinc/21/38/12/322213812.db2.gz LPMSZFUQMVVFGU-UHFFFAOYSA-N 2 2 345.553 1.998 20 0 EDADLP CCCCCS(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000581723602 322213814 /nfs/dbraw/zinc/21/38/14/322213814.db2.gz LPMSZFUQMVVFGU-UHFFFAOYSA-N 2 2 345.553 1.998 20 0 EDADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000340784526 444509832 /nfs/dbraw/zinc/50/98/32/444509832.db2.gz UIHWOHXALCPHSA-BBRMVZONSA-N 2 2 326.448 2.321 20 0 EDADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000340784526 444509833 /nfs/dbraw/zinc/50/98/33/444509833.db2.gz UIHWOHXALCPHSA-BBRMVZONSA-N 2 2 326.448 2.321 20 0 EDADLP COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000343710184 444536769 /nfs/dbraw/zinc/53/67/69/444536769.db2.gz DGQQZQNGHZJKTK-RDTXWAMCSA-N 2 2 331.416 1.733 20 0 EDADLP COC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000343710184 444536770 /nfs/dbraw/zinc/53/67/70/444536770.db2.gz DGQQZQNGHZJKTK-RDTXWAMCSA-N 2 2 331.416 1.733 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+]CC2([NH3+])CCC2)c(C)c1 ZINC000342180489 444551072 /nfs/dbraw/zinc/55/10/72/444551072.db2.gz YYPCHLCXFTVAMV-UHFFFAOYSA-N 2 2 332.448 1.138 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338256019 444591149 /nfs/dbraw/zinc/59/11/49/444591149.db2.gz SSLXLVLFMSVTHC-UHFFFAOYSA-N 2 2 340.512 1.164 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338256019 444591153 /nfs/dbraw/zinc/59/11/53/444591153.db2.gz SSLXLVLFMSVTHC-UHFFFAOYSA-N 2 2 340.512 1.164 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916141 444666497 /nfs/dbraw/zinc/66/64/97/444666497.db2.gz AZVNWUTYRYFMJH-LMMKCTJWSA-N 2 2 344.503 1.971 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916141 444666501 /nfs/dbraw/zinc/66/65/01/444666501.db2.gz AZVNWUTYRYFMJH-LMMKCTJWSA-N 2 2 344.503 1.971 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329665868 444671621 /nfs/dbraw/zinc/67/16/21/444671621.db2.gz KQJZLNUFZLPSBK-QZTJIDSGSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000329665868 444671624 /nfs/dbraw/zinc/67/16/24/444671624.db2.gz KQJZLNUFZLPSBK-QZTJIDSGSA-N 2 2 328.416 1.956 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2CCC[C@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC000333131160 444641301 /nfs/dbraw/zinc/64/13/01/444641301.db2.gz IONMNEVOGYDTSP-SJORKVTESA-N 2 2 345.491 2.522 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NCc1ccncc1OCC[NH+](C)C ZINC000341032593 444642686 /nfs/dbraw/zinc/64/26/86/444642686.db2.gz GQXMXJORRKJJDT-UHFFFAOYSA-N 2 2 327.392 1.311 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343995460 444716241 /nfs/dbraw/zinc/71/62/41/444716241.db2.gz YUYYZBRMHGECJH-FGTMMUONSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343995460 444716246 /nfs/dbraw/zinc/71/62/46/444716246.db2.gz YUYYZBRMHGECJH-FGTMMUONSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[NH+](C4CCCC4)CC3)nc[nH+]2)C1 ZINC000334041245 444757049 /nfs/dbraw/zinc/75/70/49/444757049.db2.gz OLYZNXWCTDYPRV-JKSUJKDBSA-N 2 2 345.491 1.748 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000342594018 444763808 /nfs/dbraw/zinc/76/38/08/444763808.db2.gz FPVYILCHYWDVKX-DLBZAZTESA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000342594018 444763812 /nfs/dbraw/zinc/76/38/12/444763812.db2.gz FPVYILCHYWDVKX-DLBZAZTESA-N 2 2 345.487 1.865 20 0 EDADLP C[C@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344132098 444799097 /nfs/dbraw/zinc/79/90/97/444799097.db2.gz OPCRKSKNZDGJOA-PKOBYXMFSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@H]1C[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344132098 444799099 /nfs/dbraw/zinc/79/90/99/444799099.db2.gz OPCRKSKNZDGJOA-PKOBYXMFSA-N 2 2 345.487 1.424 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342698804 444821413 /nfs/dbraw/zinc/82/14/13/444821413.db2.gz HXLNNIAORDNVOU-SECBINFHSA-N 2 2 340.296 1.649 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342690277 444815687 /nfs/dbraw/zinc/81/56/87/444815687.db2.gz XDQGDNBKICKPRO-GRLWTPEZSA-N 2 2 337.508 1.719 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342690277 444815691 /nfs/dbraw/zinc/81/56/91/444815691.db2.gz XDQGDNBKICKPRO-GRLWTPEZSA-N 2 2 337.508 1.719 20 0 EDADLP O[C@@H](COCc1ccccc1F)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336884472 444832375 /nfs/dbraw/zinc/83/23/75/444832375.db2.gz BHFTYPFOBDVILQ-MRXNPFEDSA-N 2 2 348.422 1.244 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000342762564 444852742 /nfs/dbraw/zinc/85/27/42/444852742.db2.gz YMRIHFAQOIQUOL-STQMWFEESA-N 2 2 326.391 1.854 20 0 EDADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000342765266 444856209 /nfs/dbraw/zinc/85/62/09/444856209.db2.gz NERARMXCCILMKO-MRXNPFEDSA-N 2 2 337.414 1.618 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000344268039 444872001 /nfs/dbraw/zinc/87/20/01/444872001.db2.gz WCJJVRPFWWWLIZ-MAUKXSAKSA-N 2 2 327.432 1.904 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H]4C(=O)NC[C@H]43)c2cc1C ZINC000337247081 445002168 /nfs/dbraw/zinc/00/21/68/445002168.db2.gz JWLQFJVIPHVHRV-IIDMSEBBSA-N 2 2 342.443 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H]4C(=O)NC[C@H]43)c2cc1C ZINC000337247081 445002172 /nfs/dbraw/zinc/00/21/72/445002172.db2.gz JWLQFJVIPHVHRV-IIDMSEBBSA-N 2 2 342.443 1.224 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000341812285 445013354 /nfs/dbraw/zinc/01/33/54/445013354.db2.gz ZXKFPUJHVCBQGG-ZBFHGGJFSA-N 2 2 341.521 1.041 20 0 EDADLP CNC(=O)[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341907047 445065454 /nfs/dbraw/zinc/06/54/54/445065454.db2.gz WHMZUSVGFBJSAD-ZWKOTPCHSA-N 2 2 333.476 1.638 20 0 EDADLP CNC(=O)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341907047 445065456 /nfs/dbraw/zinc/06/54/56/445065456.db2.gz WHMZUSVGFBJSAD-ZWKOTPCHSA-N 2 2 333.476 1.638 20 0 EDADLP CNC(=O)[C@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000341868853 445044070 /nfs/dbraw/zinc/04/40/70/445044070.db2.gz NZGWBLAYEOFRTG-WMLDXEAASA-N 2 2 332.448 1.374 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434966 445140354 /nfs/dbraw/zinc/14/03/54/445140354.db2.gz YXZOSUQCFUUXOU-GOSISDBHSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434966 445140359 /nfs/dbraw/zinc/14/03/59/445140359.db2.gz YXZOSUQCFUUXOU-GOSISDBHSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434966 445140363 /nfs/dbraw/zinc/14/03/63/445140363.db2.gz YXZOSUQCFUUXOU-GOSISDBHSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434966 445140366 /nfs/dbraw/zinc/14/03/66/445140366.db2.gz YXZOSUQCFUUXOU-GOSISDBHSA-N 2 2 325.497 1.583 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000343158161 445104708 /nfs/dbraw/zinc/10/47/08/445104708.db2.gz ITBYAXRIUJFNCN-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000343158161 445104713 /nfs/dbraw/zinc/10/47/13/445104713.db2.gz ITBYAXRIUJFNCN-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000343158161 445104716 /nfs/dbraw/zinc/10/47/16/445104716.db2.gz ITBYAXRIUJFNCN-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000343158161 445104721 /nfs/dbraw/zinc/10/47/21/445104721.db2.gz ITBYAXRIUJFNCN-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@H]1C ZINC000330874408 445175900 /nfs/dbraw/zinc/17/59/00/445175900.db2.gz SZELCYFYXHPSMI-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@H]1C ZINC000330874408 445175904 /nfs/dbraw/zinc/17/59/04/445175904.db2.gz SZELCYFYXHPSMI-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@H]1C ZINC000330874408 445175907 /nfs/dbraw/zinc/17/59/07/445175907.db2.gz SZELCYFYXHPSMI-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@H]1C ZINC000330874408 445175911 /nfs/dbraw/zinc/17/59/11/445175911.db2.gz SZELCYFYXHPSMI-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP COc1ccccc1[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000337572151 445144182 /nfs/dbraw/zinc/14/41/82/445144182.db2.gz DIUDWDPNDVGMEU-HOCLYGCPSA-N 2 2 349.500 1.605 20 0 EDADLP COc1ccccc1[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000337572151 445144186 /nfs/dbraw/zinc/14/41/86/445144186.db2.gz DIUDWDPNDVGMEU-HOCLYGCPSA-N 2 2 349.500 1.605 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN(C)C[C@@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000346463069 445215317 /nfs/dbraw/zinc/21/53/17/445215317.db2.gz MGZKDRMFISQZFK-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN(C)C[C@@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000346463069 445215318 /nfs/dbraw/zinc/21/53/18/445215318.db2.gz MGZKDRMFISQZFK-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000346463069 445215319 /nfs/dbraw/zinc/21/53/19/445215319.db2.gz MGZKDRMFISQZFK-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000346463069 445215320 /nfs/dbraw/zinc/21/53/20/445215320.db2.gz MGZKDRMFISQZFK-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP CC(C)CNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346917455 445227809 /nfs/dbraw/zinc/22/78/09/445227809.db2.gz HPHDCBHLNUJURH-MAUKXSAKSA-N 2 2 335.496 1.507 20 0 EDADLP CC(C)CNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346917455 445227811 /nfs/dbraw/zinc/22/78/11/445227811.db2.gz HPHDCBHLNUJURH-MAUKXSAKSA-N 2 2 335.496 1.507 20 0 EDADLP CC(C)CNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346917455 445227812 /nfs/dbraw/zinc/22/78/12/445227812.db2.gz HPHDCBHLNUJURH-MAUKXSAKSA-N 2 2 335.496 1.507 20 0 EDADLP CC(C)CNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346917455 445227814 /nfs/dbraw/zinc/22/78/14/445227814.db2.gz HPHDCBHLNUJURH-MAUKXSAKSA-N 2 2 335.496 1.507 20 0 EDADLP C[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000343470185 445228872 /nfs/dbraw/zinc/22/88/72/445228872.db2.gz JNXCGVHBHLQMIP-MRXNPFEDSA-N 2 2 342.443 1.630 20 0 EDADLP CCC[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1CCOC ZINC000343579038 445249357 /nfs/dbraw/zinc/24/93/57/445249357.db2.gz GNGLCAWEXKELGD-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP CCC[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1CCOC ZINC000343579038 445249361 /nfs/dbraw/zinc/24/93/61/445249361.db2.gz GNGLCAWEXKELGD-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP CCC[C@@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1CCOC ZINC000343579038 445249362 /nfs/dbraw/zinc/24/93/62/445249362.db2.gz GNGLCAWEXKELGD-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP CCC[C@@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1CCOC ZINC000343579038 445249365 /nfs/dbraw/zinc/24/93/65/445249365.db2.gz GNGLCAWEXKELGD-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)C[NH+](C)C)CC2)cc1 ZINC000348331479 445259515 /nfs/dbraw/zinc/25/95/15/445259515.db2.gz JJCDCTCAQLJCFJ-OAHLLOKOSA-N 2 2 339.505 1.688 20 0 EDADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000354585652 445304695 /nfs/dbraw/zinc/30/46/95/445304695.db2.gz NRMGPWUOQJYADW-KURKYZTESA-N 2 2 337.508 1.724 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000348448755 445294897 /nfs/dbraw/zinc/29/48/97/445294897.db2.gz XCUHAHVOWSRPIF-JKSUJKDBSA-N 2 2 332.448 1.673 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000348448755 445294901 /nfs/dbraw/zinc/29/49/01/445294901.db2.gz XCUHAHVOWSRPIF-JKSUJKDBSA-N 2 2 332.448 1.673 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000354561263 445295263 /nfs/dbraw/zinc/29/52/63/445295263.db2.gz BBZQSDIVAQBYJC-KRWDZBQOSA-N 2 2 344.459 1.584 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000348162757 445295981 /nfs/dbraw/zinc/29/59/81/445295981.db2.gz KHXJQBKVGAIZKU-UHFFFAOYSA-N 2 2 332.448 1.819 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C2(C(N)=O)CCCC2)CC1 ZINC000362401761 445361184 /nfs/dbraw/zinc/36/11/84/445361184.db2.gz MBGRZUPUNSUNCG-UHFFFAOYSA-N 2 2 333.480 1.387 20 0 EDADLP Cc1[nH+]ccn1CCCCN1CC[NH+](C2(C(N)=O)CCCC2)CC1 ZINC000362401761 445361186 /nfs/dbraw/zinc/36/11/86/445361186.db2.gz MBGRZUPUNSUNCG-UHFFFAOYSA-N 2 2 333.480 1.387 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000348244473 445327165 /nfs/dbraw/zinc/32/71/65/445327165.db2.gz YHHWRYDDDCVCRH-UHFFFAOYSA-N 2 2 341.415 1.167 20 0 EDADLP Cc1cc(N(C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)nc[nH+]1 ZINC000359710587 445387020 /nfs/dbraw/zinc/38/70/20/445387020.db2.gz DDTXQPLIXBEPBO-KBPBESRZSA-N 2 2 345.426 1.694 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357044285 445391844 /nfs/dbraw/zinc/39/18/44/445391844.db2.gz HAIMPIBRNCMVRQ-BBRMVZONSA-N 2 2 343.431 1.996 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357044285 445391848 /nfs/dbraw/zinc/39/18/48/445391848.db2.gz HAIMPIBRNCMVRQ-BBRMVZONSA-N 2 2 343.431 1.996 20 0 EDADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000351947069 445392577 /nfs/dbraw/zinc/39/25/77/445392577.db2.gz LVWHOANKKKSHCD-HUUCEWRRSA-N 2 2 339.459 1.133 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000351947069 445392581 /nfs/dbraw/zinc/39/25/81/445392581.db2.gz LVWHOANKKKSHCD-HUUCEWRRSA-N 2 2 339.459 1.133 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)[NH+](C)C ZINC000351953816 445397920 /nfs/dbraw/zinc/39/79/20/445397920.db2.gz LXQHABPOBJVRHD-RBSFLKMASA-N 2 2 339.459 1.131 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccco1 ZINC000357134935 445446961 /nfs/dbraw/zinc/44/69/61/445446961.db2.gz ZBARKXRORQXWOJ-HNNXBMFYSA-N 2 2 325.372 1.893 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000355307192 445453520 /nfs/dbraw/zinc/45/35/20/445453520.db2.gz HAADKMNXDROUTD-FUHWJXTLSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000355307192 445453524 /nfs/dbraw/zinc/45/35/24/445453524.db2.gz HAADKMNXDROUTD-FUHWJXTLSA-N 2 2 337.508 1.866 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000352041373 445456328 /nfs/dbraw/zinc/45/63/28/445456328.db2.gz XVXDWKKXWWLVNQ-GFCCVEGCSA-N 2 2 325.457 1.649 20 0 EDADLP O=C(CCOC1C[NH2+]C1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000349000410 445471562 /nfs/dbraw/zinc/47/15/62/445471562.db2.gz MXJSBECLWORDEZ-UHFFFAOYSA-N 2 2 328.416 1.121 20 0 EDADLP C[C@@H](Oc1cccc(F)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362706620 445510570 /nfs/dbraw/zinc/51/05/70/445510570.db2.gz QUSYQXYTVAYAFW-GDBMZVCRSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@@H](Oc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362706620 445510573 /nfs/dbraw/zinc/51/05/73/445510573.db2.gz QUSYQXYTVAYAFW-GDBMZVCRSA-N 2 2 349.450 1.878 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000362714682 445514997 /nfs/dbraw/zinc/51/49/97/445514997.db2.gz FXYKVMQHORLVIB-JKSUJKDBSA-N 2 2 349.479 1.105 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000362714682 445514999 /nfs/dbraw/zinc/51/49/99/445514999.db2.gz FXYKVMQHORLVIB-JKSUJKDBSA-N 2 2 349.479 1.105 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355903743 445525341 /nfs/dbraw/zinc/52/53/41/445525341.db2.gz VWCDICNZJBNHBV-UHFFFAOYSA-N 2 2 349.479 1.003 20 0 EDADLP CCOC(=O)COCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352100999 445493780 /nfs/dbraw/zinc/49/37/80/445493780.db2.gz JUNWXOBZHXKNRV-OAHLLOKOSA-N 2 2 335.448 1.979 20 0 EDADLP CCOC(=O)COCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352100999 445493782 /nfs/dbraw/zinc/49/37/82/445493782.db2.gz JUNWXOBZHXKNRV-OAHLLOKOSA-N 2 2 335.448 1.979 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000357241228 445501469 /nfs/dbraw/zinc/50/14/69/445501469.db2.gz NAUYYODNVZCXHI-UKRRQHHQSA-N 2 2 337.489 1.435 20 0 EDADLP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362824483 445566226 /nfs/dbraw/zinc/56/62/26/445566226.db2.gz AEWXEERXMAQOIS-QGZVFWFLSA-N 2 2 330.432 1.041 20 0 EDADLP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362824483 445566230 /nfs/dbraw/zinc/56/62/30/445566230.db2.gz AEWXEERXMAQOIS-QGZVFWFLSA-N 2 2 330.432 1.041 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000362826903 445569308 /nfs/dbraw/zinc/56/93/08/445569308.db2.gz OYQBQFMBFYWZIU-ZDUSSCGKSA-N 2 2 347.444 1.194 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000362826903 445569309 /nfs/dbraw/zinc/56/93/09/445569309.db2.gz OYQBQFMBFYWZIU-ZDUSSCGKSA-N 2 2 347.444 1.194 20 0 EDADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362828905 445570165 /nfs/dbraw/zinc/57/01/65/445570165.db2.gz FBFGDHUWEVVWRG-RDJZCZTQSA-N 2 2 344.459 1.218 20 0 EDADLP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362828905 445570168 /nfs/dbraw/zinc/57/01/68/445570168.db2.gz FBFGDHUWEVVWRG-RDJZCZTQSA-N 2 2 344.459 1.218 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251955 445613678 /nfs/dbraw/zinc/61/36/78/445613678.db2.gz MYBOMMKKEVDCNS-BURNTYAHSA-N 3 2 343.515 1.943 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251955 445613681 /nfs/dbraw/zinc/61/36/81/445613681.db2.gz MYBOMMKKEVDCNS-BURNTYAHSA-N 3 2 343.515 1.943 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251955 445613684 /nfs/dbraw/zinc/61/36/84/445613684.db2.gz MYBOMMKKEVDCNS-BURNTYAHSA-N 3 2 343.515 1.943 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251955 445613687 /nfs/dbraw/zinc/61/36/87/445613687.db2.gz MYBOMMKKEVDCNS-BURNTYAHSA-N 3 2 343.515 1.943 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)CC1 ZINC000363035237 445656401 /nfs/dbraw/zinc/65/64/01/445656401.db2.gz IVNGZJJCZDDPHZ-MRXNPFEDSA-N 2 2 348.491 1.028 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)CC1 ZINC000363035237 445656407 /nfs/dbraw/zinc/65/64/07/445656407.db2.gz IVNGZJJCZDDPHZ-MRXNPFEDSA-N 2 2 348.491 1.028 20 0 EDADLP O[C@@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)C[NH+]1CCCCC1 ZINC000360248223 445654853 /nfs/dbraw/zinc/65/48/53/445654853.db2.gz GQAYPLCBXWZQJV-IBGZPJMESA-N 2 2 332.492 1.482 20 0 EDADLP O[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)C[NH+]1CCCCC1 ZINC000360248223 445654858 /nfs/dbraw/zinc/65/48/58/445654858.db2.gz GQAYPLCBXWZQJV-IBGZPJMESA-N 2 2 332.492 1.482 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000349908522 445719026 /nfs/dbraw/zinc/71/90/26/445719026.db2.gz VDTZLMNVOYCTEA-AWEZNQCLSA-N 2 2 349.479 1.332 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000349908522 445719028 /nfs/dbraw/zinc/71/90/28/445719028.db2.gz VDTZLMNVOYCTEA-AWEZNQCLSA-N 2 2 349.479 1.332 20 0 EDADLP COC(=O)c1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)o1 ZINC000353674951 445703016 /nfs/dbraw/zinc/70/30/16/445703016.db2.gz VHIDKXBEJKNSHZ-UHFFFAOYSA-N 2 2 337.420 1.148 20 0 EDADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC[N@@H+]1C ZINC000353680381 445704637 /nfs/dbraw/zinc/70/46/37/445704637.db2.gz UEOXKDJYGNQHSF-OAUYIBNBSA-N 2 2 337.489 1.784 20 0 EDADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC[N@H+]1C ZINC000353680381 445704640 /nfs/dbraw/zinc/70/46/40/445704640.db2.gz UEOXKDJYGNQHSF-OAUYIBNBSA-N 2 2 337.489 1.784 20 0 EDADLP C[C@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH+]1C ZINC000358676214 445709555 /nfs/dbraw/zinc/70/95/55/445709555.db2.gz JGKKCGNBDXJAEZ-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[S@@](=O)[C@@H](C)C2)CC1 ZINC000353824876 445772100 /nfs/dbraw/zinc/77/21/00/445772100.db2.gz NUGVLDLECBWWPH-QMHKHESXSA-N 2 2 335.517 1.781 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[S@@](=O)[C@@H](C)C2)CC1 ZINC000353824876 445772103 /nfs/dbraw/zinc/77/21/03/445772103.db2.gz NUGVLDLECBWWPH-QMHKHESXSA-N 2 2 335.517 1.781 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000353727091 445726797 /nfs/dbraw/zinc/72/67/97/445726797.db2.gz HQDGSWUAGUWJIP-GJZGRUSLSA-N 2 2 339.386 1.334 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000353727091 445726803 /nfs/dbraw/zinc/72/68/03/445726803.db2.gz HQDGSWUAGUWJIP-GJZGRUSLSA-N 2 2 339.386 1.334 20 0 EDADLP CO[C@H]1COC[C@H]1n1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)nn1 ZINC000356366796 445754546 /nfs/dbraw/zinc/75/45/46/445754546.db2.gz NUHHEERGIGLBEV-SJORKVTESA-N 2 2 331.420 1.290 20 0 EDADLP CCOC(=O)[C@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358877486 445826678 /nfs/dbraw/zinc/82/66/78/445826678.db2.gz WQDLIEFQKHNTMM-XHSDSOJGSA-N 2 2 342.480 1.528 20 0 EDADLP CCOC(=O)[C@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358877486 445826681 /nfs/dbraw/zinc/82/66/81/445826681.db2.gz WQDLIEFQKHNTMM-XHSDSOJGSA-N 2 2 342.480 1.528 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000363398301 445787684 /nfs/dbraw/zinc/78/76/84/445787684.db2.gz HIZVXYSFGXEAHM-UHFFFAOYSA-N 2 2 342.399 1.930 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)C2)CC1 ZINC000358814956 445788868 /nfs/dbraw/zinc/78/88/68/445788868.db2.gz PRVFXHBJDFFGDP-IRXDYDNUSA-N 2 2 339.528 1.138 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000361515197 445797365 /nfs/dbraw/zinc/79/73/65/445797365.db2.gz IRDUSJYGTLWJEE-MRXNPFEDSA-N 2 2 342.447 1.941 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000361515197 445797368 /nfs/dbraw/zinc/79/73/68/445797368.db2.gz IRDUSJYGTLWJEE-MRXNPFEDSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000363422882 445797577 /nfs/dbraw/zinc/79/75/77/445797577.db2.gz JKXRXLSSKDCEAF-OIISXLGYSA-N 2 2 342.443 1.954 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000363422882 445797582 /nfs/dbraw/zinc/79/75/82/445797582.db2.gz JKXRXLSSKDCEAF-OIISXLGYSA-N 2 2 342.443 1.954 20 0 EDADLP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000356463717 445804133 /nfs/dbraw/zinc/80/41/33/445804133.db2.gz WMTIEMYLGIKYJM-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000356463717 445804138 /nfs/dbraw/zinc/80/41/38/445804138.db2.gz WMTIEMYLGIKYJM-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000354017437 445857083 /nfs/dbraw/zinc/85/70/83/445857083.db2.gz JXABLOHVLHLKLT-PBHICJAKSA-N 2 2 334.464 1.259 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000354017437 445857084 /nfs/dbraw/zinc/85/70/84/445857084.db2.gz JXABLOHVLHLKLT-PBHICJAKSA-N 2 2 334.464 1.259 20 0 EDADLP OC[C@H](O)C[N@H+](CCC(F)(F)F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000354025644 445860543 /nfs/dbraw/zinc/86/05/43/445860543.db2.gz HJADUNHXEILDPB-OAHLLOKOSA-N 2 2 343.349 1.980 20 0 EDADLP OC[C@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000354025644 445860546 /nfs/dbraw/zinc/86/05/46/445860546.db2.gz HJADUNHXEILDPB-OAHLLOKOSA-N 2 2 343.349 1.980 20 0 EDADLP COCCn1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000354044632 445872159 /nfs/dbraw/zinc/87/21/59/445872159.db2.gz KYEXOPYTLFBQLV-UHFFFAOYSA-N 2 2 349.523 1.520 20 0 EDADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000356586422 445873798 /nfs/dbraw/zinc/87/37/98/445873798.db2.gz XUVULFBEPRQCHA-QGZVFWFLSA-N 2 2 347.507 1.322 20 0 EDADLP O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359023344 445893813 /nfs/dbraw/zinc/89/38/13/445893813.db2.gz ZFPIFJDJEYTICQ-JKSUJKDBSA-N 2 2 339.399 1.147 20 0 EDADLP O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359023344 445893815 /nfs/dbraw/zinc/89/38/15/445893815.db2.gz ZFPIFJDJEYTICQ-JKSUJKDBSA-N 2 2 339.399 1.147 20 0 EDADLP O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359023344 445893819 /nfs/dbraw/zinc/89/38/19/445893819.db2.gz ZFPIFJDJEYTICQ-JKSUJKDBSA-N 2 2 339.399 1.147 20 0 EDADLP O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359023344 445893824 /nfs/dbraw/zinc/89/38/24/445893824.db2.gz ZFPIFJDJEYTICQ-JKSUJKDBSA-N 2 2 339.399 1.147 20 0 EDADLP C[C@H](CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)n1cc[nH+]c1 ZINC000582305411 325817659 /nfs/dbraw/zinc/81/76/59/325817659.db2.gz YYMZQLKQTQBFEH-MRXNPFEDSA-N 2 2 334.464 1.938 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH+]2CCN(C(=O)NC)CC2)CC1 ZINC000354120175 445918862 /nfs/dbraw/zinc/91/88/62/445918862.db2.gz LLXOBPYZCOPKQI-UHFFFAOYSA-N 2 2 345.491 1.286 20 0 EDADLP Cc1nc(N2CC[NH+](CCc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000359151256 445984124 /nfs/dbraw/zinc/98/41/24/445984124.db2.gz TWNSSFIXTQTING-UHFFFAOYSA-N 2 2 326.448 1.611 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@H]3CO2)n(C)c1C ZINC000366066978 445991784 /nfs/dbraw/zinc/99/17/84/445991784.db2.gz HCSACJCIJZUVST-HOCLYGCPSA-N 2 2 335.448 1.463 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@H]3CO2)n(C)c1C ZINC000366066978 445991787 /nfs/dbraw/zinc/99/17/87/445991787.db2.gz HCSACJCIJZUVST-HOCLYGCPSA-N 2 2 335.448 1.463 20 0 EDADLP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000366077242 445996616 /nfs/dbraw/zinc/99/66/16/445996616.db2.gz KAZFNHLITXEFPL-MRXNPFEDSA-N 2 2 347.507 1.901 20 0 EDADLP C[C@@H](CNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1)C[NH+]1CCOCC1 ZINC000369246679 446020219 /nfs/dbraw/zinc/02/02/19/446020219.db2.gz YPTUKSSZYQDLCY-JKSUJKDBSA-N 2 2 349.479 1.055 20 0 EDADLP CSC1(CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000366123715 446028411 /nfs/dbraw/zinc/02/84/11/446028411.db2.gz KMEBQCZWSXGFKD-CQSZACIVSA-N 2 2 340.537 1.692 20 0 EDADLP CSC1(CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000366123715 446028415 /nfs/dbraw/zinc/02/84/15/446028415.db2.gz KMEBQCZWSXGFKD-CQSZACIVSA-N 2 2 340.537 1.692 20 0 EDADLP CCOc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369276511 446043522 /nfs/dbraw/zinc/04/35/22/446043522.db2.gz HLJBDHHOMCLNNR-MRXNPFEDSA-N 2 2 331.460 1.984 20 0 EDADLP CCOc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369276511 446043529 /nfs/dbraw/zinc/04/35/29/446043529.db2.gz HLJBDHHOMCLNNR-MRXNPFEDSA-N 2 2 331.460 1.984 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000366082229 446001930 /nfs/dbraw/zinc/00/19/30/446001930.db2.gz CJQWXIPZUNODSY-INMHGKMJSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000366082229 446001932 /nfs/dbraw/zinc/00/19/32/446001932.db2.gz CJQWXIPZUNODSY-INMHGKMJSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000366082229 446001940 /nfs/dbraw/zinc/00/19/40/446001940.db2.gz CJQWXIPZUNODSY-INMHGKMJSA-N 2 2 338.496 1.269 20 0 EDADLP CC1(C)CC(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC(C)(C)[NH2+]1 ZINC000366094169 446009047 /nfs/dbraw/zinc/00/90/47/446009047.db2.gz UIEMVZFBEFISPU-HNNXBMFYSA-N 2 2 338.496 1.458 20 0 EDADLP CC1(C)CC(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC(C)(C)[NH2+]1 ZINC000366094169 446009053 /nfs/dbraw/zinc/00/90/53/446009053.db2.gz UIEMVZFBEFISPU-HNNXBMFYSA-N 2 2 338.496 1.458 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351387285 446053094 /nfs/dbraw/zinc/05/30/94/446053094.db2.gz PEFCLTUFSKPZBG-YJBOKZPZSA-N 2 2 331.460 1.792 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351387285 446053098 /nfs/dbraw/zinc/05/30/98/446053098.db2.gz PEFCLTUFSKPZBG-YJBOKZPZSA-N 2 2 331.460 1.792 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3COc4ccccc43)C2)CC1 ZINC000369292695 446053134 /nfs/dbraw/zinc/05/31/34/446053134.db2.gz IHIVCBYYPFONRI-WMLDXEAASA-N 2 2 329.444 1.447 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3COc4ccccc43)C2)CC1 ZINC000369292695 446053138 /nfs/dbraw/zinc/05/31/38/446053138.db2.gz IHIVCBYYPFONRI-WMLDXEAASA-N 2 2 329.444 1.447 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351387285 446053102 /nfs/dbraw/zinc/05/31/02/446053102.db2.gz PEFCLTUFSKPZBG-YJBOKZPZSA-N 2 2 331.460 1.792 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351387285 446053108 /nfs/dbraw/zinc/05/31/08/446053108.db2.gz PEFCLTUFSKPZBG-YJBOKZPZSA-N 2 2 331.460 1.792 20 0 EDADLP C[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000583692375 326120545 /nfs/dbraw/zinc/12/05/45/326120545.db2.gz XPBMAGQNLZYXEE-ZIAGYGMSSA-N 2 2 329.366 1.824 20 0 EDADLP C[N@H+]1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000583692375 326120546 /nfs/dbraw/zinc/12/05/46/326120546.db2.gz XPBMAGQNLZYXEE-ZIAGYGMSSA-N 2 2 329.366 1.824 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000369307377 446061532 /nfs/dbraw/zinc/06/15/32/446061532.db2.gz NEQOAYNVQWFUAC-VXGBXAGGSA-N 2 2 345.369 1.824 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000369307377 446061536 /nfs/dbraw/zinc/06/15/36/446061536.db2.gz NEQOAYNVQWFUAC-VXGBXAGGSA-N 2 2 345.369 1.824 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000584043331 326188482 /nfs/dbraw/zinc/18/84/82/326188482.db2.gz ACUKABQPIOAYNH-YESZJQIVSA-N 2 2 339.443 1.675 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000584190805 326218346 /nfs/dbraw/zinc/21/83/46/326218346.db2.gz CVADTCYXJCMNOM-UHFFFAOYSA-N 2 2 325.376 1.653 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[C@@H](F)C[NH+]2Cc2cccs2)C1 ZINC000351472619 446073604 /nfs/dbraw/zinc/07/36/04/446073604.db2.gz PYBDWEOIGCDSSJ-IPYPFGDCSA-N 2 2 341.452 1.107 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[C@@H](F)C[NH+]2Cc2cccs2)C1 ZINC000351472619 446073612 /nfs/dbraw/zinc/07/36/12/446073612.db2.gz PYBDWEOIGCDSSJ-IPYPFGDCSA-N 2 2 341.452 1.107 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000351472619 446073618 /nfs/dbraw/zinc/07/36/18/446073618.db2.gz PYBDWEOIGCDSSJ-IPYPFGDCSA-N 2 2 341.452 1.107 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000351472619 446073625 /nfs/dbraw/zinc/07/36/25/446073625.db2.gz PYBDWEOIGCDSSJ-IPYPFGDCSA-N 2 2 341.452 1.107 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCC1(c2ccccc2)CCOCC1 ZINC000359307775 446139112 /nfs/dbraw/zinc/13/91/12/446139112.db2.gz OQBOOTVCYYVQKT-IAGOWNOFSA-N 2 2 343.471 1.002 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]12 ZINC000351489408 446091725 /nfs/dbraw/zinc/09/17/25/446091725.db2.gz HAKSRLIYCKWUIM-MVWJERBFSA-N 2 2 339.342 1.616 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]12 ZINC000351489408 446091729 /nfs/dbraw/zinc/09/17/29/446091729.db2.gz HAKSRLIYCKWUIM-MVWJERBFSA-N 2 2 339.342 1.616 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000369349641 446093442 /nfs/dbraw/zinc/09/34/42/446093442.db2.gz MVQLGOIRJUZGED-UHFFFAOYSA-N 2 2 328.416 1.914 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000369353265 446096410 /nfs/dbraw/zinc/09/64/10/446096410.db2.gz BOWXBJQUJYRKKZ-LPHOPBHVSA-N 2 2 348.535 1.488 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000369353265 446096415 /nfs/dbraw/zinc/09/64/15/446096415.db2.gz BOWXBJQUJYRKKZ-LPHOPBHVSA-N 2 2 348.535 1.488 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[S@](=O)CC[C@H]3C)c2cc1C ZINC000369360245 446101971 /nfs/dbraw/zinc/10/19/71/446101971.db2.gz WBBAZUIHFRNDLG-DQIAKBPPSA-N 2 2 349.500 1.857 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[S@](=O)CC[C@H]3C)c2cc1C ZINC000369360245 446101980 /nfs/dbraw/zinc/10/19/80/446101980.db2.gz WBBAZUIHFRNDLG-DQIAKBPPSA-N 2 2 349.500 1.857 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000351504466 446110170 /nfs/dbraw/zinc/11/01/70/446110170.db2.gz WJRKFIRHUMSDFQ-UHFFFAOYSA-N 2 2 332.423 1.948 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000369373515 446113239 /nfs/dbraw/zinc/11/32/39/446113239.db2.gz PQDPIIZSIKEFAP-GJZGRUSLSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000369373515 446113243 /nfs/dbraw/zinc/11/32/43/446113243.db2.gz PQDPIIZSIKEFAP-GJZGRUSLSA-N 2 2 338.496 1.364 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(C)C ZINC000351515283 446118214 /nfs/dbraw/zinc/11/82/14/446118214.db2.gz BCSIONSXQYAEJU-NVXWUHKLSA-N 2 2 339.480 1.108 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(C)C ZINC000351515283 446118221 /nfs/dbraw/zinc/11/82/21/446118221.db2.gz BCSIONSXQYAEJU-NVXWUHKLSA-N 2 2 339.480 1.108 20 0 EDADLP NC(=O)c1ccc(-c2nc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cs2)cc1 ZINC000359284208 446120293 /nfs/dbraw/zinc/12/02/93/446120293.db2.gz LHTKYYATQKKVNW-KBPBESRZSA-N 2 2 328.441 1.560 20 0 EDADLP FC(F)Cn1cc(C[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000366359589 446172513 /nfs/dbraw/zinc/17/25/13/446172513.db2.gz ATBREPDLHCRGFA-HUUCEWRRSA-N 2 2 328.407 1.739 20 0 EDADLP CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cccc3[nH+]ccn32)C1=O ZINC000362013449 446153380 /nfs/dbraw/zinc/15/33/80/446153380.db2.gz ZNEQBWVWIFBBMT-SJKOYZFVSA-N 2 2 327.388 1.144 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C[N@@H+]1C1CC1 ZINC000370276504 446209324 /nfs/dbraw/zinc/20/93/24/446209324.db2.gz WZJVNXGVIVLCLE-QEEYODRMSA-N 2 2 343.471 1.967 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C[N@H+]1C1CC1 ZINC000370276504 446209330 /nfs/dbraw/zinc/20/93/30/446209330.db2.gz WZJVNXGVIVLCLE-QEEYODRMSA-N 2 2 343.471 1.967 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C2 ZINC000365454697 446215170 /nfs/dbraw/zinc/21/51/70/446215170.db2.gz LSUJTCHRPKDYDF-GXTWGEPZSA-N 2 2 335.452 1.134 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)C(=O)NCCF)sc2C1 ZINC000370306858 446224249 /nfs/dbraw/zinc/22/42/49/446224249.db2.gz XUFCYVLNRRUWIX-LLVKDONJSA-N 2 2 328.457 1.473 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)C(=O)NCCF)sc2C1 ZINC000370306858 446224250 /nfs/dbraw/zinc/22/42/50/446224250.db2.gz XUFCYVLNRRUWIX-LLVKDONJSA-N 2 2 328.457 1.473 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000365489955 446229904 /nfs/dbraw/zinc/22/99/04/446229904.db2.gz GRTCUHNMVNSLEK-APWZRJJASA-N 3 2 330.476 1.145 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000365489955 446229906 /nfs/dbraw/zinc/22/99/06/446229906.db2.gz GRTCUHNMVNSLEK-APWZRJJASA-N 3 2 330.476 1.145 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)C1 ZINC000365530946 446242627 /nfs/dbraw/zinc/24/26/27/446242627.db2.gz BFTCFTYIASNTHB-SJORKVTESA-N 2 2 346.475 1.443 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)C1 ZINC000365530946 446242632 /nfs/dbraw/zinc/24/26/32/446242632.db2.gz BFTCFTYIASNTHB-SJORKVTESA-N 2 2 346.475 1.443 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000366581348 446267464 /nfs/dbraw/zinc/26/74/64/446267464.db2.gz MQJLMKHIIMLDNG-HZPDHXFCSA-N 2 2 349.479 1.860 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000366581348 446267467 /nfs/dbraw/zinc/26/74/67/446267467.db2.gz MQJLMKHIIMLDNG-HZPDHXFCSA-N 2 2 349.479 1.860 20 0 EDADLP Cc1cccc(NC2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)[nH+]1 ZINC000370464089 446290707 /nfs/dbraw/zinc/29/07/07/446290707.db2.gz MWHHUXMAFHSPOO-CYBMUJFWSA-N 2 2 325.478 1.947 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCc2c[nH+]cn2C)C[C@@H](C)O1 ZINC000373711962 446309778 /nfs/dbraw/zinc/30/97/78/446309778.db2.gz DWQQRPVXNABHHX-BFYDXBDKSA-N 2 2 334.464 1.453 20 0 EDADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCNC1=O ZINC000362364168 446335682 /nfs/dbraw/zinc/33/56/82/446335682.db2.gz HABLHFBTIRKRCK-GOSISDBHSA-N 3 2 336.524 1.393 20 0 EDADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCNC1=O ZINC000362364168 446335685 /nfs/dbraw/zinc/33/56/85/446335685.db2.gz HABLHFBTIRKRCK-GOSISDBHSA-N 3 2 336.524 1.393 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)C2(N3CC[NH+](C)CC3)CCCC2)CC[N@H+]1C ZINC000365772423 446336602 /nfs/dbraw/zinc/33/66/02/446336602.db2.gz QWXXDKCHOPVOSM-DLBZAZTESA-N 2 2 336.524 1.488 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000376109887 446339747 /nfs/dbraw/zinc/33/97/47/446339747.db2.gz FYMSRULHDOFBCD-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000376109887 446339755 /nfs/dbraw/zinc/33/97/55/446339755.db2.gz FYMSRULHDOFBCD-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H](O)c3ccccc3)CC2)CC1 ZINC000376145365 446354452 /nfs/dbraw/zinc/35/44/52/446354452.db2.gz AOWKQQLRNVLJRZ-IBGZPJMESA-N 2 2 345.487 1.785 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209052 446357770 /nfs/dbraw/zinc/35/77/70/446357770.db2.gz OXBYOXVHSXGYQK-MRXNPFEDSA-N 2 2 348.447 1.533 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417527032 446361205 /nfs/dbraw/zinc/36/12/05/446361205.db2.gz NPTSUAVMMQMJGY-MRXNPFEDSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417527032 446361208 /nfs/dbraw/zinc/36/12/08/446361208.db2.gz NPTSUAVMMQMJGY-MRXNPFEDSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000417663269 446368395 /nfs/dbraw/zinc/36/83/95/446368395.db2.gz UQDHPJPSFIMQNJ-HUBLWGQQSA-N 2 2 340.418 1.946 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417660580 446368688 /nfs/dbraw/zinc/36/86/88/446368688.db2.gz NHDOFOCJGNIVCZ-SMDDNHRTSA-N 2 2 328.407 1.994 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417955571 446399853 /nfs/dbraw/zinc/39/98/53/446399853.db2.gz RGTVVCWKMATGRK-NZVBXONLSA-N 2 2 326.391 1.747 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417955571 446399856 /nfs/dbraw/zinc/39/98/56/446399856.db2.gz RGTVVCWKMATGRK-NZVBXONLSA-N 2 2 326.391 1.747 20 0 EDADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417898979 446380177 /nfs/dbraw/zinc/38/01/77/446380177.db2.gz KCVMLNLFVPXMKF-KRWDZBQOSA-N 2 2 333.476 1.571 20 0 EDADLP CCn1c[nH+]cc1C[NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000417930646 446389017 /nfs/dbraw/zinc/38/90/17/446389017.db2.gz BDVWOTUDZCHITB-KRWDZBQOSA-N 2 2 344.415 1.815 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)C2 ZINC000376225281 446389591 /nfs/dbraw/zinc/38/95/91/446389591.db2.gz IYKHEBFTAUSGGI-QGZVFWFLSA-N 2 2 334.464 1.635 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000376244481 446396782 /nfs/dbraw/zinc/39/67/82/446396782.db2.gz KRXYNDCTXSDYDC-QFBILLFUSA-N 2 2 329.444 1.339 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000423120123 446428441 /nfs/dbraw/zinc/42/84/41/446428441.db2.gz GLKGFWXBQGRUPB-HLLBOEOZSA-N 2 2 335.448 1.354 20 0 EDADLP C[C@@H]1CC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000374874734 446428706 /nfs/dbraw/zinc/42/87/06/446428706.db2.gz KJNSJPWAXOTNAF-ILXRZTDVSA-N 2 2 326.466 1.048 20 0 EDADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000374874734 446428710 /nfs/dbraw/zinc/42/87/10/446428710.db2.gz KJNSJPWAXOTNAF-ILXRZTDVSA-N 2 2 326.466 1.048 20 0 EDADLP CN(C)C(=O)c1ccccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000418066697 446429981 /nfs/dbraw/zinc/42/99/81/446429981.db2.gz LVGXEKGVRWLLAP-UHFFFAOYSA-N 2 2 346.519 1.846 20 0 EDADLP CN(C)C(=O)c1ccccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418066697 446429982 /nfs/dbraw/zinc/42/99/82/446429982.db2.gz LVGXEKGVRWLLAP-UHFFFAOYSA-N 2 2 346.519 1.846 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCN([C@@H]4CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000420261471 446436240 /nfs/dbraw/zinc/43/62/40/446436240.db2.gz PIQCHVASHYUFJE-HZPDHXFCSA-N 2 2 330.480 1.197 20 0 EDADLP CCCNC(=O)CCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000411238713 446439176 /nfs/dbraw/zinc/43/91/76/446439176.db2.gz JJXGNYMJOYKJHJ-UHFFFAOYSA-N 2 2 335.496 1.586 20 0 EDADLP CCCNC(=O)CCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000411238713 446439178 /nfs/dbraw/zinc/43/91/78/446439178.db2.gz JJXGNYMJOYKJHJ-UHFFFAOYSA-N 2 2 335.496 1.586 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC[C@H]3CC[C@H](C[NH3+])CC3)[nH+]cn2)C1 ZINC000420271105 446441426 /nfs/dbraw/zinc/44/14/26/446441426.db2.gz ZKPGTNMOJOKBOH-KLHDSHLOSA-N 2 2 333.480 1.861 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC[C@H]3CC[C@H](C[NH3+])CC3)nc[nH+]2)C1 ZINC000420271105 446441434 /nfs/dbraw/zinc/44/14/34/446441434.db2.gz ZKPGTNMOJOKBOH-KLHDSHLOSA-N 2 2 333.480 1.861 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000423159483 446442205 /nfs/dbraw/zinc/44/22/05/446442205.db2.gz YBXURIARTLISIW-XJKSGUPXSA-N 2 2 325.478 1.557 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000366896562 446402049 /nfs/dbraw/zinc/40/20/49/446402049.db2.gz PHMAUVYBYSECTR-IRXDYDNUSA-N 2 2 338.496 1.221 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000366896562 446402050 /nfs/dbraw/zinc/40/20/50/446402050.db2.gz PHMAUVYBYSECTR-IRXDYDNUSA-N 2 2 338.496 1.221 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](CCc2ccnn2CC)CC1 ZINC000374815414 446405018 /nfs/dbraw/zinc/40/50/18/446405018.db2.gz OOXQMCPYSRHYNH-UHFFFAOYSA-N 2 2 330.480 1.870 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+](CCc2ccnn2CC)CC1 ZINC000374815414 446405023 /nfs/dbraw/zinc/40/50/23/446405023.db2.gz OOXQMCPYSRHYNH-UHFFFAOYSA-N 2 2 330.480 1.870 20 0 EDADLP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2ncnn2CCF)CC1 ZINC000366921182 446411138 /nfs/dbraw/zinc/41/11/38/446411138.db2.gz FJGIBUFCIZZGFU-UHFFFAOYSA-N 2 2 325.432 1.182 20 0 EDADLP Cc1ccc2ncc(C[NH+]3CCN(C(=O)C[NH+](C)C)CC3)cc2c1 ZINC000411163362 446414611 /nfs/dbraw/zinc/41/46/11/446414611.db2.gz IRVOIPUSFBTTKA-UHFFFAOYSA-N 2 2 326.444 1.749 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000411167572 446416197 /nfs/dbraw/zinc/41/61/97/446416197.db2.gz MEIQMEMIXLIVOV-UHFFFAOYSA-N 2 2 341.415 1.360 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)C1 ZINC000374868183 446424942 /nfs/dbraw/zinc/42/49/42/446424942.db2.gz JDFQFLIEKBFXPB-JKSUJKDBSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)C1 ZINC000374868183 446424945 /nfs/dbraw/zinc/42/49/45/446424945.db2.gz JDFQFLIEKBFXPB-JKSUJKDBSA-N 2 2 337.851 1.534 20 0 EDADLP C[C@@H]([NH3+])CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423223762 446457152 /nfs/dbraw/zinc/45/71/52/446457152.db2.gz HMFHAQPCYTULDT-SKDRFNHKSA-N 2 2 347.278 1.995 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000420299722 446461446 /nfs/dbraw/zinc/46/14/46/446461446.db2.gz BLUIYEDBHNFULP-CABCVRRESA-N 2 2 333.432 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000420299722 446461454 /nfs/dbraw/zinc/46/14/54/446461454.db2.gz BLUIYEDBHNFULP-CABCVRRESA-N 2 2 333.432 1.252 20 0 EDADLP COc1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370830817 446466103 /nfs/dbraw/zinc/46/61/03/446466103.db2.gz PKCMUCPRFLEJCU-GOSISDBHSA-N 2 2 345.487 1.865 20 0 EDADLP COc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370830817 446466110 /nfs/dbraw/zinc/46/61/10/446466110.db2.gz PKCMUCPRFLEJCU-GOSISDBHSA-N 2 2 345.487 1.865 20 0 EDADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000423261771 446467242 /nfs/dbraw/zinc/46/72/42/446467242.db2.gz KUMVAWLFFHUARH-CJNGLKHVSA-N 2 2 325.478 1.674 20 0 EDADLP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367027544 446473036 /nfs/dbraw/zinc/47/30/36/446473036.db2.gz FYRHXJIJMBWXQB-PKOBYXMFSA-N 2 2 344.503 1.891 20 0 EDADLP Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367027544 446473045 /nfs/dbraw/zinc/47/30/45/446473045.db2.gz FYRHXJIJMBWXQB-PKOBYXMFSA-N 2 2 344.503 1.891 20 0 EDADLP O=C1[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1F ZINC000420311756 446475163 /nfs/dbraw/zinc/47/51/63/446475163.db2.gz HRWVHDLWWSRELE-CRAIPNDOSA-N 2 2 346.450 1.301 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000420314050 446477361 /nfs/dbraw/zinc/47/73/61/446477361.db2.gz JSNUJICDCQSVED-MDZLAQPJSA-N 2 2 337.445 1.309 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2C[C@H](C[NH3+])C[C@H]2C)C1=O ZINC000420314050 446477367 /nfs/dbraw/zinc/47/73/67/446477367.db2.gz JSNUJICDCQSVED-MDZLAQPJSA-N 2 2 337.445 1.309 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)cc1F ZINC000423314369 446484043 /nfs/dbraw/zinc/48/40/43/446484043.db2.gz YJMYMMQNVIXSEV-KDOFPFPSSA-N 2 2 333.407 1.231 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423333721 446492578 /nfs/dbraw/zinc/49/25/78/446492578.db2.gz OGCUBMDKWMEHLX-NJAFHUGGSA-N 2 2 329.448 1.801 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)[NH+]2CCOCC2)c1 ZINC000423338156 446494212 /nfs/dbraw/zinc/49/42/12/446494212.db2.gz VSJZXNUBAIVQDO-QZTJIDSGSA-N 2 2 331.460 1.612 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000420327739 446494798 /nfs/dbraw/zinc/49/47/98/446494798.db2.gz YYCCEXRRJKXQEY-WMZOPIPTSA-N 2 2 330.432 1.335 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000420327739 446494801 /nfs/dbraw/zinc/49/48/01/446494801.db2.gz YYCCEXRRJKXQEY-WMZOPIPTSA-N 2 2 330.432 1.335 20 0 EDADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423360484 446499700 /nfs/dbraw/zinc/49/97/00/446499700.db2.gz LMYJXYFTBKXECS-WWGRRREGSA-N 2 2 325.478 1.586 20 0 EDADLP CCC[NH2+]CCNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000418482721 446559408 /nfs/dbraw/zinc/55/94/08/446559408.db2.gz VPERVMXDNMZKHR-UHFFFAOYSA-N 2 2 348.495 1.740 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420382471 446559703 /nfs/dbraw/zinc/55/97/03/446559703.db2.gz ANERHRXLWKJSQE-HNNXBMFYSA-N 2 2 336.455 1.404 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420382471 446559711 /nfs/dbraw/zinc/55/97/11/446559711.db2.gz ANERHRXLWKJSQE-HNNXBMFYSA-N 2 2 336.455 1.404 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000433348198 446559931 /nfs/dbraw/zinc/55/99/31/446559931.db2.gz SUZGIPAASDHNMF-NVXWUHKLSA-N 2 2 347.463 1.591 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000433348198 446559936 /nfs/dbraw/zinc/55/99/36/446559936.db2.gz SUZGIPAASDHNMF-NVXWUHKLSA-N 2 2 347.463 1.591 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000418480933 446560157 /nfs/dbraw/zinc/56/01/57/446560157.db2.gz CYOFWXLYVDXBOQ-RRQGHBQHSA-N 2 2 332.448 1.321 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000418480933 446560161 /nfs/dbraw/zinc/56/01/61/446560161.db2.gz CYOFWXLYVDXBOQ-RRQGHBQHSA-N 2 2 332.448 1.321 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418400727 446529723 /nfs/dbraw/zinc/52/97/23/446529723.db2.gz MTRCFXDBWRLIKX-INIZCTEOSA-N 2 2 327.432 1.810 20 0 EDADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000420354016 446533864 /nfs/dbraw/zinc/53/38/64/446533864.db2.gz NVRCTAGGOGXENJ-IBGZPJMESA-N 2 2 347.503 1.418 20 0 EDADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])CC2)cc1 ZINC000420354016 446533869 /nfs/dbraw/zinc/53/38/69/446533869.db2.gz NVRCTAGGOGXENJ-IBGZPJMESA-N 2 2 347.503 1.418 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000418416430 446536600 /nfs/dbraw/zinc/53/66/00/446536600.db2.gz VPSHYIDTFKEVEJ-MRXNPFEDSA-N 2 2 344.463 1.145 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cscn1 ZINC000423439895 446538998 /nfs/dbraw/zinc/53/89/98/446538998.db2.gz VNXWWMMUUKEWNK-HOCLYGCPSA-N 2 2 330.457 1.924 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cscn1 ZINC000423439895 446539005 /nfs/dbraw/zinc/53/90/05/446539005.db2.gz VNXWWMMUUKEWNK-HOCLYGCPSA-N 2 2 330.457 1.924 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000418433003 446543156 /nfs/dbraw/zinc/54/31/56/446543156.db2.gz CPUWPBMSQNVXFK-CABCVRRESA-N 2 2 334.468 1.066 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000418433003 446543166 /nfs/dbraw/zinc/54/31/66/446543166.db2.gz CPUWPBMSQNVXFK-CABCVRRESA-N 2 2 334.468 1.066 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000420364491 446543720 /nfs/dbraw/zinc/54/37/20/446543720.db2.gz PASOFBBHTRTERP-MRXNPFEDSA-N 2 2 346.475 1.158 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)NC(=O)NCc1ccccc1 ZINC000420363739 446545079 /nfs/dbraw/zinc/54/50/79/446545079.db2.gz JLVONUKSTFELGH-ORIJERBGSA-N 2 2 332.448 1.377 20 0 EDADLP CCC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000453153070 446548870 /nfs/dbraw/zinc/54/88/70/446548870.db2.gz YNPOMYDERYRDDT-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000420376246 446553628 /nfs/dbraw/zinc/55/36/28/446553628.db2.gz QFHPRKXABZWRPJ-PMXSJFBMSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000420376246 446553637 /nfs/dbraw/zinc/55/36/37/446553637.db2.gz QFHPRKXABZWRPJ-PMXSJFBMSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420376246 446553639 /nfs/dbraw/zinc/55/36/39/446553639.db2.gz QFHPRKXABZWRPJ-PMXSJFBMSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420376246 446553648 /nfs/dbraw/zinc/55/36/48/446553648.db2.gz QFHPRKXABZWRPJ-PMXSJFBMSA-N 3 2 343.515 1.866 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423501794 446556992 /nfs/dbraw/zinc/55/69/92/446556992.db2.gz DSFUBMOAOBOCJJ-SUMWQHHRSA-N 2 2 331.464 1.525 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000418470077 446556996 /nfs/dbraw/zinc/55/69/96/446556996.db2.gz QJAXPRJDXDHKEU-OAHLLOKOSA-N 3 2 327.517 1.171 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418470077 446557001 /nfs/dbraw/zinc/55/70/01/446557001.db2.gz QJAXPRJDXDHKEU-OAHLLOKOSA-N 3 2 327.517 1.171 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000420394072 446568269 /nfs/dbraw/zinc/56/82/69/446568269.db2.gz CLWFALGNDJMGAK-HIFRSBDPSA-N 2 2 332.448 1.868 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000420394072 446568276 /nfs/dbraw/zinc/56/82/76/446568276.db2.gz CLWFALGNDJMGAK-HIFRSBDPSA-N 2 2 332.448 1.868 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000420381839 446557497 /nfs/dbraw/zinc/55/74/97/446557497.db2.gz PDXGALUOXYWFGY-ZFWWWQNUSA-N 2 2 332.448 1.868 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)c1 ZINC000420381839 446557500 /nfs/dbraw/zinc/55/75/00/446557500.db2.gz PDXGALUOXYWFGY-ZFWWWQNUSA-N 2 2 332.448 1.868 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418610384 446614323 /nfs/dbraw/zinc/61/43/23/446614323.db2.gz AABHVNDNOVETNX-CABCVRRESA-N 2 2 347.463 1.452 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@@H]1C[NH3+] ZINC000420397009 446569738 /nfs/dbraw/zinc/56/97/38/446569738.db2.gz FSJXZDGCNFXMAD-YPMHNXCESA-N 2 2 330.388 1.882 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@@H]1C[NH3+] ZINC000420397009 446569747 /nfs/dbraw/zinc/56/97/47/446569747.db2.gz FSJXZDGCNFXMAD-YPMHNXCESA-N 2 2 330.388 1.882 20 0 EDADLP CCN(C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)[C@@H](C)c1ccc(F)cc1 ZINC000420398443 446571926 /nfs/dbraw/zinc/57/19/26/446571926.db2.gz YQSOZOXPFARORS-YOEHRIQHSA-N 2 2 337.439 1.785 20 0 EDADLP CCN(C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)[C@@H](C)c1ccc(F)cc1 ZINC000420398443 446571931 /nfs/dbraw/zinc/57/19/31/446571931.db2.gz YQSOZOXPFARORS-YOEHRIQHSA-N 2 2 337.439 1.785 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423557654 446572303 /nfs/dbraw/zinc/57/23/03/446572303.db2.gz NLJUALFGAOFLTR-KBPBESRZSA-N 2 2 325.478 1.744 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1C[NH3+] ZINC000420407189 446579499 /nfs/dbraw/zinc/57/94/99/446579499.db2.gz OEANIEBBWOBXHY-DZGCQCFKSA-N 2 2 344.459 1.434 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1C[NH3+] ZINC000420407189 446579507 /nfs/dbraw/zinc/57/95/07/446579507.db2.gz OEANIEBBWOBXHY-DZGCQCFKSA-N 2 2 344.459 1.434 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418529255 446581799 /nfs/dbraw/zinc/58/17/99/446581799.db2.gz SYMOGHXICUUSAF-OIISXLGYSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418529255 446581803 /nfs/dbraw/zinc/58/18/03/446581803.db2.gz SYMOGHXICUUSAF-OIISXLGYSA-N 3 2 339.528 1.312 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420419307 446593840 /nfs/dbraw/zinc/59/38/40/446593840.db2.gz XPCJGJCATOXQRL-DZGCQCFKSA-N 2 2 333.432 1.719 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420419307 446593848 /nfs/dbraw/zinc/59/38/48/446593848.db2.gz XPCJGJCATOXQRL-DZGCQCFKSA-N 2 2 333.432 1.719 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418560805 446595401 /nfs/dbraw/zinc/59/54/01/446595401.db2.gz QJKUINNGRPOIKP-XIRDDKMYSA-N 2 2 334.464 1.437 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418560805 446595405 /nfs/dbraw/zinc/59/54/05/446595405.db2.gz QJKUINNGRPOIKP-XIRDDKMYSA-N 2 2 334.464 1.437 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000371062908 446604311 /nfs/dbraw/zinc/60/43/11/446604311.db2.gz DZWKSQTZYUNWEO-IRXDYDNUSA-N 2 2 334.439 1.918 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000371062908 446604322 /nfs/dbraw/zinc/60/43/22/446604322.db2.gz DZWKSQTZYUNWEO-IRXDYDNUSA-N 2 2 334.439 1.918 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)C1 ZINC000423613100 446605839 /nfs/dbraw/zinc/60/58/39/446605839.db2.gz OPPNCIYMOVMFGI-IRXDYDNUSA-N 2 2 335.423 1.408 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)C1 ZINC000423613100 446605844 /nfs/dbraw/zinc/60/58/44/446605844.db2.gz OPPNCIYMOVMFGI-IRXDYDNUSA-N 2 2 335.423 1.408 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000375259620 446676361 /nfs/dbraw/zinc/67/63/61/446676361.db2.gz XZSBEEDBVIXYPL-IAGOWNOFSA-N 2 2 346.475 1.383 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000371129836 446644815 /nfs/dbraw/zinc/64/48/15/446644815.db2.gz OIVRAKQAAAEJEV-QGZVFWFLSA-N 2 2 347.507 1.464 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)CC[NH+]1CCN(CC)CC1 ZINC000371129836 446644822 /nfs/dbraw/zinc/64/48/22/446644822.db2.gz OIVRAKQAAAEJEV-QGZVFWFLSA-N 2 2 347.507 1.464 20 0 EDADLP CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411692919 446649514 /nfs/dbraw/zinc/64/95/14/446649514.db2.gz BNCSECGYXUGOMU-ROUUACIJSA-N 2 2 331.460 1.747 20 0 EDADLP CO[C@H]1C[C@@H](C(N)=O)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411692919 446649517 /nfs/dbraw/zinc/64/95/17/446649517.db2.gz BNCSECGYXUGOMU-ROUUACIJSA-N 2 2 331.460 1.747 20 0 EDADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000423715239 446654847 /nfs/dbraw/zinc/65/48/47/446654847.db2.gz UHRSPWBMTZAXCS-YJBOKZPZSA-N 2 2 333.863 1.984 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](C3CC3)C(F)(F)F)C2)CC1 ZINC000376706278 446664802 /nfs/dbraw/zinc/66/48/02/446664802.db2.gz JBPMQGCKJYPXRK-JSGCOSHPSA-N 2 2 348.413 1.795 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](C3CC3)C(F)(F)F)C2)CC1 ZINC000376706278 446664812 /nfs/dbraw/zinc/66/48/12/446664812.db2.gz JBPMQGCKJYPXRK-JSGCOSHPSA-N 2 2 348.413 1.795 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000376713217 446669317 /nfs/dbraw/zinc/66/93/17/446669317.db2.gz UWBRXLHCLPTZMP-WNRNVDISSA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000376713217 446669326 /nfs/dbraw/zinc/66/93/26/446669326.db2.gz UWBRXLHCLPTZMP-WNRNVDISSA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376713217 446669333 /nfs/dbraw/zinc/66/93/33/446669333.db2.gz UWBRXLHCLPTZMP-WNRNVDISSA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376713217 446669339 /nfs/dbraw/zinc/66/93/39/446669339.db2.gz UWBRXLHCLPTZMP-WNRNVDISSA-N 2 2 335.492 1.430 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(O)ccc3Cl)C2)CC1 ZINC000368149043 446669624 /nfs/dbraw/zinc/66/96/24/446669624.db2.gz MLNMPLDHVRNZKX-GFCCVEGCSA-N 2 2 337.851 1.944 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(O)ccc3Cl)C2)CC1 ZINC000368149043 446669630 /nfs/dbraw/zinc/66/96/30/446669630.db2.gz MLNMPLDHVRNZKX-GFCCVEGCSA-N 2 2 337.851 1.944 20 0 EDADLP C[C@@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423738684 446670175 /nfs/dbraw/zinc/67/01/75/446670175.db2.gz GJPHQHAPLFCGRV-CRAIPNDOSA-N 2 2 341.459 1.400 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418625149 446620841 /nfs/dbraw/zinc/62/08/41/446620841.db2.gz IFBQRNDNQJHCDH-XIRDDKMYSA-N 2 2 334.464 1.308 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418625149 446620848 /nfs/dbraw/zinc/62/08/48/446620848.db2.gz IFBQRNDNQJHCDH-XIRDDKMYSA-N 2 2 334.464 1.308 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000371089788 446621474 /nfs/dbraw/zinc/62/14/74/446621474.db2.gz VBCSDMGUYSUGLR-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000371089788 446621479 /nfs/dbraw/zinc/62/14/79/446621479.db2.gz VBCSDMGUYSUGLR-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000371089788 446621485 /nfs/dbraw/zinc/62/14/85/446621485.db2.gz VBCSDMGUYSUGLR-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000371089788 446621492 /nfs/dbraw/zinc/62/14/92/446621492.db2.gz VBCSDMGUYSUGLR-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000376649323 446627488 /nfs/dbraw/zinc/62/74/88/446627488.db2.gz RZWLOZNDKFMVNO-YQVWRLOYSA-N 2 2 329.444 1.176 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)cn1 ZINC000423757415 446686767 /nfs/dbraw/zinc/68/67/67/446686767.db2.gz MDEKTHYUDVQCFD-KRWDZBQOSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)cn1 ZINC000423757415 446686775 /nfs/dbraw/zinc/68/67/75/446686775.db2.gz MDEKTHYUDVQCFD-KRWDZBQOSA-N 2 2 347.507 1.716 20 0 EDADLP c1cc(O[C@H]2CCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)cc[nH+]1 ZINC000435344416 446690407 /nfs/dbraw/zinc/69/04/07/446690407.db2.gz VJKYENUSOKRGFD-HOCLYGCPSA-N 2 2 341.415 2.120 20 0 EDADLP C[NH+](C)[C@H](CNc1nc(N[C@H]2CCCOC2)cc[nH+]1)c1ccco1 ZINC000435345857 446692899 /nfs/dbraw/zinc/69/28/99/446692899.db2.gz LOBPMTAIBJFBTL-UONOGXRCSA-N 2 2 331.420 2.375 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000376750632 446696272 /nfs/dbraw/zinc/69/62/72/446696272.db2.gz UBKASXBNVZVYJF-SJORKVTESA-N 2 2 332.448 1.548 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423811529 446702620 /nfs/dbraw/zinc/70/26/20/446702620.db2.gz BZJBXPCXNOTOJJ-DRZCJDIDSA-N 2 2 341.377 1.965 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423811529 446702624 /nfs/dbraw/zinc/70/26/24/446702624.db2.gz BZJBXPCXNOTOJJ-DRZCJDIDSA-N 2 2 341.377 1.965 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435627374 446704152 /nfs/dbraw/zinc/70/41/52/446704152.db2.gz RBENMHRJAXWJNH-KRWDZBQOSA-N 3 2 345.491 1.194 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435627374 446704157 /nfs/dbraw/zinc/70/41/57/446704157.db2.gz RBENMHRJAXWJNH-KRWDZBQOSA-N 3 2 345.491 1.194 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000376775028 446712227 /nfs/dbraw/zinc/71/22/27/446712227.db2.gz ABDNXCGIXLDDTG-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000376775028 446712232 /nfs/dbraw/zinc/71/22/32/446712232.db2.gz ABDNXCGIXLDDTG-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423827117 446715405 /nfs/dbraw/zinc/71/54/05/446715405.db2.gz NCSVQXWTBGEJEI-DFBGVHRSSA-N 2 2 325.815 1.950 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423827117 446715409 /nfs/dbraw/zinc/71/54/09/446715409.db2.gz NCSVQXWTBGEJEI-DFBGVHRSSA-N 2 2 325.815 1.950 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423826126 446716520 /nfs/dbraw/zinc/71/65/20/446716520.db2.gz MEIFQQKYTSEHPE-YDHLFZDLSA-N 2 2 339.823 1.092 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423826126 446716528 /nfs/dbraw/zinc/71/65/28/446716528.db2.gz MEIFQQKYTSEHPE-YDHLFZDLSA-N 2 2 339.823 1.092 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000423835489 446723091 /nfs/dbraw/zinc/72/30/91/446723091.db2.gz VJCOPWUYFMTXTB-YLQAJVPDSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000423835489 446723094 /nfs/dbraw/zinc/72/30/94/446723094.db2.gz VJCOPWUYFMTXTB-YLQAJVPDSA-N 2 2 339.386 1.205 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000376797653 446724956 /nfs/dbraw/zinc/72/49/56/446724956.db2.gz YSLYTRKAXZWYET-OWCLPIDISA-N 2 2 349.500 1.664 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)cn1 ZINC000423753336 446684251 /nfs/dbraw/zinc/68/42/51/446684251.db2.gz GYIDNTWMERMHCD-RDJZCZTQSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)cn1 ZINC000423753336 446684255 /nfs/dbraw/zinc/68/42/55/446684255.db2.gz GYIDNTWMERMHCD-RDJZCZTQSA-N 2 2 333.480 1.325 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923754 446772431 /nfs/dbraw/zinc/77/24/31/446772431.db2.gz CMLPJUZFCXTXLO-HOCLYGCPSA-N 2 2 332.448 1.645 20 0 EDADLP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423929313 446780778 /nfs/dbraw/zinc/78/07/78/446780778.db2.gz MEZXEOKBBHVNHI-HZPDHXFCSA-N 2 2 344.459 1.661 20 0 EDADLP Cc1cccc(NC[C@H]2CCCN2C(=O)[C@@H](C)N2CC[NH+](C)CC2)[nH+]1 ZINC000368316140 446781319 /nfs/dbraw/zinc/78/13/19/446781319.db2.gz OAINOBSKRIVLIL-IAGOWNOFSA-N 2 2 345.491 1.429 20 0 EDADLP Cc1cccc(NC[C@H]2CCCN2C(=O)[C@@H](C)[NH+]2CCN(C)CC2)[nH+]1 ZINC000368316140 446781325 /nfs/dbraw/zinc/78/13/25/446781325.db2.gz OAINOBSKRIVLIL-IAGOWNOFSA-N 2 2 345.491 1.429 20 0 EDADLP C[C@H](CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000423886165 446743621 /nfs/dbraw/zinc/74/36/21/446743621.db2.gz ZZSSHXFFCNBGIJ-KBAYOESNSA-N 2 2 337.508 1.581 20 0 EDADLP C[C@H](CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000423886165 446743631 /nfs/dbraw/zinc/74/36/31/446743631.db2.gz ZZSSHXFFCNBGIJ-KBAYOESNSA-N 2 2 337.508 1.581 20 0 EDADLP Cc1cccc(N2CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000418937899 446811683 /nfs/dbraw/zinc/81/16/83/446811683.db2.gz ORNKBJSIKNLEKK-OAHLLOKOSA-N 2 2 335.448 1.869 20 0 EDADLP Cc1cccc(N2CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000418937899 446811689 /nfs/dbraw/zinc/81/16/89/446811689.db2.gz ORNKBJSIKNLEKK-OAHLLOKOSA-N 2 2 335.448 1.869 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000424001812 446816541 /nfs/dbraw/zinc/81/65/41/446816541.db2.gz RWMMBEQJJMAQJQ-RVKKMQEKSA-N 2 2 331.464 1.417 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000424001812 446816550 /nfs/dbraw/zinc/81/65/50/446816550.db2.gz RWMMBEQJJMAQJQ-RVKKMQEKSA-N 2 2 331.464 1.417 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000377070911 446900703 /nfs/dbraw/zinc/90/07/03/446900703.db2.gz 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ZINC000420919601 446886986 /nfs/dbraw/zinc/88/69/86/446886986.db2.gz ZMCDJDFSLWBUNQ-SFHVURJKSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420921674 446890138 /nfs/dbraw/zinc/89/01/38/446890138.db2.gz LZQMNOHWEDQEET-GOSISDBHSA-N 2 2 347.503 1.407 20 0 EDADLP C[C@H](CO)[N@H+]1CCCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420921674 446890141 /nfs/dbraw/zinc/89/01/41/446890141.db2.gz LZQMNOHWEDQEET-GOSISDBHSA-N 2 2 347.503 1.407 20 0 EDADLP C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920411 446890437 /nfs/dbraw/zinc/89/04/37/446890437.db2.gz JQHHNQGXLZUICQ-QMHKHESXSA-N 2 2 336.501 1.862 20 0 EDADLP C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920411 446890442 /nfs/dbraw/zinc/89/04/42/446890442.db2.gz JQHHNQGXLZUICQ-QMHKHESXSA-N 2 2 336.501 1.862 20 0 EDADLP CC(C)OC[C@H](CO)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919705 446890598 /nfs/dbraw/zinc/89/05/98/446890598.db2.gz IFHFWSSJDBWOFX-IBGZPJMESA-N 2 2 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ZINC000368788427 447106722 /nfs/dbraw/zinc/10/67/22/447106722.db2.gz SAGGGNRAAFWADJ-UHFFFAOYSA-N 2 2 336.480 1.068 20 0 EDADLP CCCCN(C)C(=O)C1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425325815 447117446 /nfs/dbraw/zinc/11/74/46/447117446.db2.gz MSWUCNIACPKMIL-UHFFFAOYSA-N 2 2 335.496 1.957 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1cccc(F)c1 ZINC000444168885 447085731 /nfs/dbraw/zinc/08/57/31/447085731.db2.gz OTKAWKGYFMYSRT-DAYGRLMNSA-N 2 2 328.391 1.764 20 0 EDADLP COc1c[nH+]ccc1N1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413257577 447099362 /nfs/dbraw/zinc/09/93/62/447099362.db2.gz BFRDOMVWOPSEBF-UHFFFAOYSA-N 2 2 326.404 1.781 20 0 EDADLP COc1c[nH+]ccc1N1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413257577 447099366 /nfs/dbraw/zinc/09/93/66/447099366.db2.gz BFRDOMVWOPSEBF-UHFFFAOYSA-N 2 2 326.404 1.781 20 0 EDADLP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368817656 447131045 /nfs/dbraw/zinc/13/10/45/447131045.db2.gz NSZVJOJPZFANBL-XMTFNYHQSA-N 2 2 329.444 1.368 20 0 EDADLP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368817656 447131050 /nfs/dbraw/zinc/13/10/50/447131050.db2.gz NSZVJOJPZFANBL-XMTFNYHQSA-N 2 2 329.444 1.368 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419459326 447195216 /nfs/dbraw/zinc/19/52/16/447195216.db2.gz FTKHZZHBXCTVRJ-CABCVRRESA-N 2 2 337.468 1.136 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419459326 447195221 /nfs/dbraw/zinc/19/52/21/447195221.db2.gz FTKHZZHBXCTVRJ-CABCVRRESA-N 2 2 337.468 1.136 20 0 EDADLP Cn1ncc2c1nc(N1C[C@H]3[C@@H](C1)C[N@H+](C)[C@@H]3c1ccccc1)[nH+]c2N ZINC000368912845 447199225 /nfs/dbraw/zinc/19/92/25/447199225.db2.gz FBMMRVDZGBFJRW-VNQPRFMTSA-N 2 2 349.442 1.685 20 0 EDADLP Cn1ncc2c1nc(N1C[C@H]3[C@@H](C1)C[N@@H+](C)[C@@H]3c1ccccc1)[nH+]c2N ZINC000368912845 447199233 /nfs/dbraw/zinc/19/92/33/447199233.db2.gz FBMMRVDZGBFJRW-VNQPRFMTSA-N 2 2 349.442 1.685 20 0 EDADLP COCCCn1nccc1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377618823 447247489 /nfs/dbraw/zinc/24/74/89/447247489.db2.gz CEUZQRUGTVOXIU-GOSISDBHSA-N 2 2 349.523 1.379 20 0 EDADLP COCCCn1nccc1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377618823 447247496 /nfs/dbraw/zinc/24/74/96/447247496.db2.gz CEUZQRUGTVOXIU-GOSISDBHSA-N 2 2 349.523 1.379 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377579369 447218762 /nfs/dbraw/zinc/21/87/62/447218762.db2.gz CSMMODYJWDUBBF-HZPDHXFCSA-N 2 2 343.431 1.039 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)C2(N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000372676642 447219197 /nfs/dbraw/zinc/21/91/97/447219197.db2.gz UUTDFWVWCRDOAF-UHFFFAOYSA-N 2 2 336.524 1.347 20 0 EDADLP COCCn1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000377626786 447254996 /nfs/dbraw/zinc/25/49/96/447254996.db2.gz MPJGGJJYPAGKIC-INIZCTEOSA-N 2 2 335.496 1.130 20 0 EDADLP COCCn1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000377626786 447254999 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CC(C)CCOCC[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000369051193 447290035 /nfs/dbraw/zinc/29/00/35/447290035.db2.gz RNIDTHJCLVIPLY-ZWKOTPCHSA-N 2 2 327.513 1.386 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)n1C ZINC000414400866 447298731 /nfs/dbraw/zinc/29/87/31/447298731.db2.gz YWDDLDHDQWDZJI-CQSZACIVSA-N 2 2 327.432 1.661 20 0 EDADLP COCCN(C)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cn1 ZINC000372777528 447281070 /nfs/dbraw/zinc/28/10/70/447281070.db2.gz WGLUNYUSWQQFRZ-MRXNPFEDSA-N 2 2 329.448 1.774 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCN1 ZINC000390845916 447502810 /nfs/dbraw/zinc/50/28/10/447502810.db2.gz GWQIBYUSYGCVFI-ROUUACIJSA-N 2 2 331.460 1.536 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCN1 ZINC000390845916 447502814 /nfs/dbraw/zinc/50/28/14/447502814.db2.gz GWQIBYUSYGCVFI-ROUUACIJSA-N 2 2 331.460 1.536 20 0 EDADLP COc1cc(-c2noc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)n2)ncn1 ZINC000450499635 447508419 /nfs/dbraw/zinc/50/84/19/447508419.db2.gz JIEANMDOMIOPNR-GXTWGEPZSA-N 2 2 344.419 1.451 20 0 EDADLP COc1cc(-c2noc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)n2)ncn1 ZINC000450499635 447508426 /nfs/dbraw/zinc/50/84/26/447508426.db2.gz JIEANMDOMIOPNR-GXTWGEPZSA-N 2 2 344.419 1.451 20 0 EDADLP COc1cc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)n2)ncn1 ZINC000450499635 447508428 /nfs/dbraw/zinc/50/84/28/447508428.db2.gz JIEANMDOMIOPNR-GXTWGEPZSA-N 2 2 344.419 1.451 20 0 EDADLP COc1cc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)n2)ncn1 ZINC000450499635 447508432 /nfs/dbraw/zinc/50/84/32/447508432.db2.gz JIEANMDOMIOPNR-GXTWGEPZSA-N 2 2 344.419 1.451 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000457431082 447578756 /nfs/dbraw/zinc/57/87/56/447578756.db2.gz CEDVWQYRKKQNKR-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000459036755 447548282 /nfs/dbraw/zinc/54/82/82/447548282.db2.gz GDZXDRFUNDRSTE-HNNXBMFYSA-N 2 2 334.464 1.473 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495911156 447638149 /nfs/dbraw/zinc/63/81/49/447638149.db2.gz KUPZJGCJEZCFHJ-KVSKMBFKSA-N 3 2 348.491 1.277 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495911156 447638152 /nfs/dbraw/zinc/63/81/52/447638152.db2.gz KUPZJGCJEZCFHJ-KVSKMBFKSA-N 3 2 348.491 1.277 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495911156 447638156 /nfs/dbraw/zinc/63/81/56/447638156.db2.gz KUPZJGCJEZCFHJ-KVSKMBFKSA-N 3 2 348.491 1.277 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495911156 447638161 /nfs/dbraw/zinc/63/81/61/447638161.db2.gz KUPZJGCJEZCFHJ-KVSKMBFKSA-N 3 2 348.491 1.277 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CCO1 ZINC000427766612 447645500 /nfs/dbraw/zinc/64/55/00/447645500.db2.gz YOFPSRSYWXOGOF-VQIMIIECSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CCO1 ZINC000427766612 447645506 /nfs/dbraw/zinc/64/55/06/447645506.db2.gz YOFPSRSYWXOGOF-VQIMIIECSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000427766612 447645511 /nfs/dbraw/zinc/64/55/11/447645511.db2.gz YOFPSRSYWXOGOF-VQIMIIECSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC000427766612 447645515 /nfs/dbraw/zinc/64/55/15/447645515.db2.gz YOFPSRSYWXOGOF-VQIMIIECSA-N 2 2 345.487 1.660 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000422495387 447596419 /nfs/dbraw/zinc/59/64/19/447596419.db2.gz SHTPVYVACMGTES-HNNXBMFYSA-N 2 2 332.448 1.163 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC000422495387 447596426 /nfs/dbraw/zinc/59/64/26/447596426.db2.gz SHTPVYVACMGTES-HNNXBMFYSA-N 2 2 332.448 1.163 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC[C@@H](C(=O)NCC[NH3+])C3)nc[nH+]2)C1 ZINC000420166325 447649871 /nfs/dbraw/zinc/64/98/71/447649871.db2.gz ODSXHGYHNRJPKK-HUUCEWRRSA-N 2 2 346.479 1.004 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC[C@@H](C(=O)NCC[NH3+])C3)[nH+]cn2)C1 ZINC000420166325 447649874 /nfs/dbraw/zinc/64/98/74/447649874.db2.gz ODSXHGYHNRJPKK-HUUCEWRRSA-N 2 2 346.479 1.004 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000457746991 447624343 /nfs/dbraw/zinc/62/43/43/447624343.db2.gz XRIVQUMGRWXTPQ-MRXNPFEDSA-N 2 2 333.480 2.318 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000457746991 447624351 /nfs/dbraw/zinc/62/43/51/447624351.db2.gz XRIVQUMGRWXTPQ-MRXNPFEDSA-N 2 2 333.480 2.318 20 0 EDADLP COc1cc2nc(NCC[C@@H]3CCC[NH2+]C3)[nH+]c(N)c2cc1OC ZINC000420186025 447660648 /nfs/dbraw/zinc/66/06/48/447660648.db2.gz CEMHQVCXTFPNCG-NSHDSACASA-N 2 2 331.420 1.453 20 0 EDADLP CC[NH+]1C[C@@H](C)N(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H](C)C1 ZINC000459451665 447670040 /nfs/dbraw/zinc/67/00/40/447670040.db2.gz BEYSXHJSSPEYFR-IAGOWNOFSA-N 2 2 348.491 1.338 20 0 EDADLP C[NH2+]CCC1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000420227877 447679560 /nfs/dbraw/zinc/67/95/60/447679560.db2.gz PKJOUCYKVCGNHK-MRXNPFEDSA-N 2 2 333.480 1.654 20 0 EDADLP C[NH2+]CCC1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000420227877 447679563 /nfs/dbraw/zinc/67/95/63/447679563.db2.gz PKJOUCYKVCGNHK-MRXNPFEDSA-N 2 2 333.480 1.654 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(OC)c1 ZINC000422634872 447681783 /nfs/dbraw/zinc/68/17/83/447681783.db2.gz KLNIRTFHXWRFOW-RDBSUJKOSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(OC)c1 ZINC000422634872 447681790 /nfs/dbraw/zinc/68/17/90/447681790.db2.gz KLNIRTFHXWRFOW-RDBSUJKOSA-N 2 2 335.448 1.948 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422640446 447683415 /nfs/dbraw/zinc/68/34/15/447683415.db2.gz VORNTGZMROADLD-KFWWJZLASA-N 2 2 340.489 1.774 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422640446 447683419 /nfs/dbraw/zinc/68/34/19/447683419.db2.gz VORNTGZMROADLD-KFWWJZLASA-N 2 2 340.489 1.774 20 0 EDADLP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422831886 447763654 /nfs/dbraw/zinc/76/36/54/447763654.db2.gz KCEILVDUHRLTCR-ICSRJNTNSA-N 3 2 330.520 1.924 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714739 447725797 /nfs/dbraw/zinc/72/57/97/447725797.db2.gz LKTVEVJDEAWHFE-HMXCVIKNSA-N 3 2 343.515 1.908 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714739 447725800 /nfs/dbraw/zinc/72/58/00/447725800.db2.gz LKTVEVJDEAWHFE-HMXCVIKNSA-N 3 2 343.515 1.908 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000422728949 447731309 /nfs/dbraw/zinc/73/13/09/447731309.db2.gz HAKMGBQIOPQNIX-RCCFBDPRSA-N 2 2 331.460 1.707 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422738996 447733704 /nfs/dbraw/zinc/73/37/04/447733704.db2.gz KPWVZSJPZLFBKR-QYZOEREBSA-N 3 2 344.503 1.657 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422738996 447733706 /nfs/dbraw/zinc/73/37/06/447733706.db2.gz KPWVZSJPZLFBKR-QYZOEREBSA-N 3 2 344.503 1.657 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000496184201 447736363 /nfs/dbraw/zinc/73/63/63/447736363.db2.gz CBOIAYITTNGQHL-GJZGRUSLSA-N 2 2 329.485 1.678 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000496184201 447736368 /nfs/dbraw/zinc/73/63/68/447736368.db2.gz CBOIAYITTNGQHL-GJZGRUSLSA-N 2 2 329.485 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000496184201 447736372 /nfs/dbraw/zinc/73/63/72/447736372.db2.gz CBOIAYITTNGQHL-GJZGRUSLSA-N 2 2 329.485 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000496184201 447736376 /nfs/dbraw/zinc/73/63/76/447736376.db2.gz CBOIAYITTNGQHL-GJZGRUSLSA-N 2 2 329.485 1.678 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422795088 447752473 /nfs/dbraw/zinc/75/24/73/447752473.db2.gz ZRGNEGRJHGKKLA-PMACEKPBSA-N 3 2 346.519 1.715 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)COC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000429762716 447757384 /nfs/dbraw/zinc/75/73/84/447757384.db2.gz DKBZSMIQTMOZIY-OAHLLOKOSA-N 2 2 334.807 1.268 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422822883 447759762 /nfs/dbraw/zinc/75/97/62/447759762.db2.gz BRYOPVSUTZXGEN-YPMHNXCESA-N 2 2 333.354 1.879 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)s1 ZINC000422943013 447776988 /nfs/dbraw/zinc/77/69/88/447776988.db2.gz XJVCNGVIGYJSGT-LLVKDONJSA-N 2 2 331.507 1.476 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000430554063 447777437 /nfs/dbraw/zinc/77/74/37/447777437.db2.gz MFMLYFWWAKOLNT-UGSOOPFHSA-N 2 2 337.464 1.844 20 0 EDADLP C[N@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000430592207 447781385 /nfs/dbraw/zinc/78/13/85/447781385.db2.gz PRMVODTYFGTLLL-UHFFFAOYSA-N 2 2 343.475 1.448 20 0 EDADLP C[N@@H+](CC(=O)NCCc1cnn(-c2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000430592207 447781386 /nfs/dbraw/zinc/78/13/86/447781386.db2.gz PRMVODTYFGTLLL-UHFFFAOYSA-N 2 2 343.475 1.448 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cccc(Cn2cc[nH+]c2)c1 ZINC000452378840 447819307 /nfs/dbraw/zinc/81/93/07/447819307.db2.gz PQEGNRXJLLJHIT-SFHVURJKSA-N 2 2 342.443 1.508 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc(Cn2cc[nH+]c2)c1 ZINC000452378840 447819309 /nfs/dbraw/zinc/81/93/09/447819309.db2.gz PQEGNRXJLLJHIT-SFHVURJKSA-N 2 2 342.443 1.508 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000423062875 447799262 /nfs/dbraw/zinc/79/92/62/447799262.db2.gz VAXXBTLJMPYAGZ-BZZMCLGOSA-N 2 2 333.476 1.869 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496701972 447851791 /nfs/dbraw/zinc/85/17/91/447851791.db2.gz WHDCHIYBFABAST-MRRJBJDNSA-N 2 2 327.469 1.334 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496701972 447851793 /nfs/dbraw/zinc/85/17/93/447851793.db2.gz WHDCHIYBFABAST-MRRJBJDNSA-N 2 2 327.469 1.334 20 0 EDADLP COC(=O)Nc1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000496574729 447824613 /nfs/dbraw/zinc/82/46/13/447824613.db2.gz YLUKSEMZEGWAAZ-IAGOWNOFSA-N 2 2 333.432 1.764 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000523058513 447870039 /nfs/dbraw/zinc/87/00/39/447870039.db2.gz RSGYSUCRMUGAGH-HNNXBMFYSA-N 2 2 328.416 1.382 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000523058513 447870045 /nfs/dbraw/zinc/87/00/45/447870045.db2.gz RSGYSUCRMUGAGH-HNNXBMFYSA-N 2 2 328.416 1.382 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523121407 447874205 /nfs/dbraw/zinc/87/42/05/447874205.db2.gz GSAAPMNGFIKOGA-CQSZACIVSA-N 2 2 328.420 1.513 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523121407 447874209 /nfs/dbraw/zinc/87/42/09/447874209.db2.gz GSAAPMNGFIKOGA-CQSZACIVSA-N 2 2 328.420 1.513 20 0 EDADLP CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000575890911 447923581 /nfs/dbraw/zinc/92/35/81/447923581.db2.gz DJUAMYXPMWHIJR-UHFFFAOYSA-N 2 2 343.431 1.429 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)n1C ZINC000570203576 447963907 /nfs/dbraw/zinc/96/39/07/447963907.db2.gz FWCKHTFVMUXUGW-GFCCVEGCSA-N 2 2 334.445 1.147 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c[nH+]1 ZINC000552183981 447938434 /nfs/dbraw/zinc/93/84/34/447938434.db2.gz RUWJHJCBHGWENW-MRXNPFEDSA-N 2 2 343.406 1.787 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c[nH+]1 ZINC000552183981 447938439 /nfs/dbraw/zinc/93/84/39/447938439.db2.gz RUWJHJCBHGWENW-MRXNPFEDSA-N 2 2 343.406 1.787 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000576197858 447995072 /nfs/dbraw/zinc/99/50/72/447995072.db2.gz XPGKJBKUXGEPSW-DOMZBBRYSA-N 2 2 346.456 1.582 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000576197858 447995075 /nfs/dbraw/zinc/99/50/75/447995075.db2.gz XPGKJBKUXGEPSW-DOMZBBRYSA-N 2 2 346.456 1.582 20 0 EDADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)c2cnn[nH]2)cc1 ZINC000576626970 448099857 /nfs/dbraw/zinc/09/98/57/448099857.db2.gz WDPGEVHAFZMWQK-BXUZGUMPSA-N 2 2 325.338 1.868 20 0 EDADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)c2cn[nH]n2)cc1 ZINC000576626970 448099860 /nfs/dbraw/zinc/09/98/60/448099860.db2.gz WDPGEVHAFZMWQK-BXUZGUMPSA-N 2 2 325.338 1.868 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000497314052 448066366 /nfs/dbraw/zinc/06/63/66/448066366.db2.gz MQYRHLCZQFEYSM-UHFFFAOYSA-N 2 2 326.400 1.978 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000497314052 448066369 /nfs/dbraw/zinc/06/63/69/448066369.db2.gz MQYRHLCZQFEYSM-UHFFFAOYSA-N 2 2 326.400 1.978 20 0 EDADLP COc1c(N)[nH+]cnc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000571536870 448171013 /nfs/dbraw/zinc/17/10/13/448171013.db2.gz UEURVKHSPCYZRF-UHFFFAOYSA-N 2 2 343.431 1.705 20 0 EDADLP COc1c(N)nc[nH+]c1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000571536870 448171018 /nfs/dbraw/zinc/17/10/18/448171018.db2.gz UEURVKHSPCYZRF-UHFFFAOYSA-N 2 2 343.431 1.705 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000514739494 448197777 /nfs/dbraw/zinc/19/77/77/448197777.db2.gz QZXPSVBLMQIXPU-QZTJIDSGSA-N 3 2 330.476 1.434 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000571752539 448198743 /nfs/dbraw/zinc/19/87/43/448198743.db2.gz BESRXPMPBHZVBI-HYVNUMGLSA-N 2 2 326.448 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000571752539 448198744 /nfs/dbraw/zinc/19/87/44/448198744.db2.gz BESRXPMPBHZVBI-HYVNUMGLSA-N 2 2 326.448 1.488 20 0 EDADLP COc1coc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1=O ZINC000531871512 448163945 /nfs/dbraw/zinc/16/39/45/448163945.db2.gz ZWKSEIQKZXBKSG-HNNXBMFYSA-N 2 2 335.448 1.249 20 0 EDADLP COc1coc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1=O ZINC000531871512 448163952 /nfs/dbraw/zinc/16/39/52/448163952.db2.gz ZWKSEIQKZXBKSG-HNNXBMFYSA-N 2 2 335.448 1.249 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532208856 448215667 /nfs/dbraw/zinc/21/56/67/448215667.db2.gz APVGRECDOHYFFU-BEFAXECRSA-N 2 2 343.471 1.731 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532208856 448215672 /nfs/dbraw/zinc/21/56/72/448215672.db2.gz APVGRECDOHYFFU-BEFAXECRSA-N 2 2 343.471 1.731 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000532209512 448216791 /nfs/dbraw/zinc/21/67/91/448216791.db2.gz MVNYRWOTJWRMDD-CRAIPNDOSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CC[N@H+]1C ZINC000532209512 448216795 /nfs/dbraw/zinc/21/67/95/448216795.db2.gz MVNYRWOTJWRMDD-CRAIPNDOSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000577163812 448222096 /nfs/dbraw/zinc/22/20/96/448222096.db2.gz QVOAQDXMYDTQGA-IJEWVQPXSA-N 2 2 347.463 1.246 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNc2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000582467531 448245018 /nfs/dbraw/zinc/24/50/18/448245018.db2.gz IBSVEZNLEMJUID-ZDUSSCGKSA-N 2 2 344.459 2.140 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNc2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000582467531 448245023 /nfs/dbraw/zinc/24/50/23/448245023.db2.gz IBSVEZNLEMJUID-ZDUSSCGKSA-N 2 2 344.459 2.140 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591083260 448256439 /nfs/dbraw/zinc/25/64/39/448256439.db2.gz SZJPEPWLYZINML-INIZCTEOSA-N 2 2 328.416 1.845 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591083260 448256443 /nfs/dbraw/zinc/25/64/43/448256443.db2.gz SZJPEPWLYZINML-INIZCTEOSA-N 2 2 328.416 1.845 20 0 EDADLP CC(C)OC[C@H](O)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000577602899 448339212 /nfs/dbraw/zinc/33/92/12/448339212.db2.gz SAJSXCODEGLHMO-QGZVFWFLSA-N 2 2 328.497 1.645 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000577645915 448352298 /nfs/dbraw/zinc/35/22/98/448352298.db2.gz ABAFJLZWLFIMTM-QGZVFWFLSA-N 2 2 325.497 1.460 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000577645915 448352303 /nfs/dbraw/zinc/35/23/03/448352303.db2.gz ABAFJLZWLFIMTM-QGZVFWFLSA-N 2 2 325.497 1.460 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000577766807 448383769 /nfs/dbraw/zinc/38/37/69/448383769.db2.gz KDAGLSOMXPJHKT-VXGBXAGGSA-N 2 2 348.369 1.293 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000577766807 448383776 /nfs/dbraw/zinc/38/37/76/448383776.db2.gz KDAGLSOMXPJHKT-VXGBXAGGSA-N 2 2 348.369 1.293 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c2[nH+]ccn21 ZINC000572579526 448411107 /nfs/dbraw/zinc/41/11/07/448411107.db2.gz SJXCXEALFFFMOC-RBSFLKMASA-N 2 2 335.452 1.281 20 0 EDADLP COC[C@]1(CNC(=O)CCn2c(C)[nH+]c3ccccc32)CCC[NH2+]1 ZINC000566204840 448414943 /nfs/dbraw/zinc/41/49/43/448414943.db2.gz JUWOBDYAYSLEPG-GOSISDBHSA-N 2 2 330.432 1.620 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)Cc1cn3c([nH+]1)CCCC3)C2 ZINC000577928461 448416227 /nfs/dbraw/zinc/41/62/27/448416227.db2.gz LPHHPDYGCKIZGI-CQSZACIVSA-N 2 2 327.432 1.945 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3nccn3-c3ccccc3)C2)nn1 ZINC000516551236 448436303 /nfs/dbraw/zinc/43/63/03/448436303.db2.gz YYIWNRFIYKSBAQ-QGZVFWFLSA-N 2 2 337.431 1.760 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)CNC2CC[NH+](C3CCC3)CC2)C[C@@H](C)O1 ZINC000578186776 448478883 /nfs/dbraw/zinc/47/88/83/448478883.db2.gz BJLJBTMOGMACBF-RKVPGOIHSA-N 2 2 325.497 1.063 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000572943688 448502038 /nfs/dbraw/zinc/50/20/38/448502038.db2.gz NGUSZTPHHJQSGT-HDICACEKSA-N 2 2 339.443 1.967 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000584371079 448502196 /nfs/dbraw/zinc/50/21/96/448502196.db2.gz QPOISVAGOGZGDO-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000584371079 448502199 /nfs/dbraw/zinc/50/21/99/448502199.db2.gz QPOISVAGOGZGDO-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584371079 448502203 /nfs/dbraw/zinc/50/22/03/448502203.db2.gz QPOISVAGOGZGDO-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584371079 448502206 /nfs/dbraw/zinc/50/22/06/448502206.db2.gz QPOISVAGOGZGDO-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000566569235 448510297 /nfs/dbraw/zinc/51/02/97/448510297.db2.gz MGTCBUWONROBSK-CQSZACIVSA-N 2 2 327.856 1.891 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000566569235 448510302 /nfs/dbraw/zinc/51/03/02/448510302.db2.gz MGTCBUWONROBSK-CQSZACIVSA-N 2 2 327.856 1.891 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000572971443 448512198 /nfs/dbraw/zinc/51/21/98/448512198.db2.gz CUACYVVLZDXLJJ-INIZCTEOSA-N 2 2 337.464 1.403 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000572971443 448512203 /nfs/dbraw/zinc/51/22/03/448512203.db2.gz CUACYVVLZDXLJJ-INIZCTEOSA-N 2 2 337.464 1.403 20 0 EDADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)C1 ZINC000584403691 448512797 /nfs/dbraw/zinc/51/27/97/448512797.db2.gz YEPIGBYCEGNJTP-ZJIFWQFVSA-N 2 2 331.464 1.570 20 0 EDADLP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)C1 ZINC000584403691 448512799 /nfs/dbraw/zinc/51/27/99/448512799.db2.gz YEPIGBYCEGNJTP-ZJIFWQFVSA-N 2 2 331.464 1.570 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000584429870 448524503 /nfs/dbraw/zinc/52/45/03/448524503.db2.gz CJHJLYHHTQMYFX-LBPRGKRZSA-N 2 2 330.436 1.201 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000584429870 448524509 /nfs/dbraw/zinc/52/45/09/448524509.db2.gz CJHJLYHHTQMYFX-LBPRGKRZSA-N 2 2 330.436 1.201 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000517039258 448530600 /nfs/dbraw/zinc/53/06/00/448530600.db2.gz WGYWRNLTBBODCW-OAHLLOKOSA-N 2 2 341.459 1.974 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000517243885 448562072 /nfs/dbraw/zinc/56/20/72/448562072.db2.gz RDLUSGOBXJAUDP-IRXDYDNUSA-N 2 2 330.476 1.455 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000517243885 448562078 /nfs/dbraw/zinc/56/20/78/448562078.db2.gz RDLUSGOBXJAUDP-IRXDYDNUSA-N 2 2 330.476 1.455 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000517255181 448565628 /nfs/dbraw/zinc/56/56/28/448565628.db2.gz VQMVTPYQDCUNSI-VYDXJSESSA-N 2 2 349.479 1.814 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000517255181 448565635 /nfs/dbraw/zinc/56/56/35/448565635.db2.gz VQMVTPYQDCUNSI-VYDXJSESSA-N 2 2 349.479 1.814 20 0 EDADLP COC(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc2[nH]ccc21 ZINC000566844117 448568589 /nfs/dbraw/zinc/56/85/89/448568589.db2.gz DMFZFLZSJSAXCZ-LBPRGKRZSA-N 2 2 345.403 1.061 20 0 EDADLP COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc2[nH]ccc21 ZINC000566844117 448568592 /nfs/dbraw/zinc/56/85/92/448568592.db2.gz DMFZFLZSJSAXCZ-LBPRGKRZSA-N 2 2 345.403 1.061 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000517153874 448544132 /nfs/dbraw/zinc/54/41/32/448544132.db2.gz IXGRDWOPOIXGFB-HFTRVMKXSA-N 2 2 342.443 1.485 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccccc3OC3CCCC3)CCN2C1=O ZINC000517175403 448548639 /nfs/dbraw/zinc/54/86/39/448548639.db2.gz DUYSXHLRLIAEAZ-RDJZCZTQSA-N 2 2 329.444 1.752 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccccc3OC3CCCC3)CCN2C1=O ZINC000517175403 448548644 /nfs/dbraw/zinc/54/86/44/448548644.db2.gz DUYSXHLRLIAEAZ-RDJZCZTQSA-N 2 2 329.444 1.752 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000573400539 448617101 /nfs/dbraw/zinc/61/71/01/448617101.db2.gz FEZMGEPRZLHFRP-KRWDZBQOSA-N 2 2 334.460 1.903 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000573400539 448617105 /nfs/dbraw/zinc/61/71/05/448617105.db2.gz FEZMGEPRZLHFRP-KRWDZBQOSA-N 2 2 334.460 1.903 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000573263168 448583248 /nfs/dbraw/zinc/58/32/48/448583248.db2.gz HSUQEZUUHNFRRD-RDJZCZTQSA-N 2 2 346.475 1.269 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000566922595 448587057 /nfs/dbraw/zinc/58/70/57/448587057.db2.gz TYEVIVLDVXXSLJ-MRXNPFEDSA-N 2 2 349.475 1.658 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000566922595 448587060 /nfs/dbraw/zinc/58/70/60/448587060.db2.gz TYEVIVLDVXXSLJ-MRXNPFEDSA-N 2 2 349.475 1.658 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1OC(F)F ZINC000578622790 448595186 /nfs/dbraw/zinc/59/51/86/448595186.db2.gz NZINLEYCXVWCHO-RYUDHWBXSA-N 2 2 342.390 1.633 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1OC(F)F ZINC000578622790 448595188 /nfs/dbraw/zinc/59/51/88/448595188.db2.gz NZINLEYCXVWCHO-RYUDHWBXSA-N 2 2 342.390 1.633 20 0 EDADLP Cc1cccc(-c2nc(CC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cs2)c1 ZINC000578624452 448596284 /nfs/dbraw/zinc/59/62/84/448596284.db2.gz DGDDKNCKBINZGH-INIZCTEOSA-N 2 2 344.484 1.762 20 0 EDADLP Cc1cccc(-c2nc(CC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cs2)c1 ZINC000578624452 448596286 /nfs/dbraw/zinc/59/62/86/448596286.db2.gz DGDDKNCKBINZGH-INIZCTEOSA-N 2 2 344.484 1.762 20 0 EDADLP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000517591320 448598749 /nfs/dbraw/zinc/59/87/49/448598749.db2.gz AGYSPSXOHNYSNQ-KRWDZBQOSA-N 2 2 346.475 1.763 20 0 EDADLP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000517591320 448598752 /nfs/dbraw/zinc/59/87/52/448598752.db2.gz AGYSPSXOHNYSNQ-KRWDZBQOSA-N 2 2 346.475 1.763 20 0 EDADLP COc1cc[nH+]c(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1OC ZINC000573335831 448603187 /nfs/dbraw/zinc/60/31/87/448603187.db2.gz BNTMELFQONGBMF-AWEZNQCLSA-N 2 2 335.448 1.784 20 0 EDADLP COc1cc[nH+]c(CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1OC ZINC000573335831 448603189 /nfs/dbraw/zinc/60/31/89/448603189.db2.gz BNTMELFQONGBMF-AWEZNQCLSA-N 2 2 335.448 1.784 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccnc2-c2ccccc2)[C@H](C[NH3+])C1 ZINC000578859176 448653381 /nfs/dbraw/zinc/65/33/81/448653381.db2.gz NDSVQLQJYPSPKA-OAHLLOKOSA-N 2 2 325.416 1.855 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccnc2-c2ccccc2)[C@H](C[NH3+])C1 ZINC000578859176 448653385 /nfs/dbraw/zinc/65/33/85/448653385.db2.gz NDSVQLQJYPSPKA-OAHLLOKOSA-N 2 2 325.416 1.855 20 0 EDADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000578905474 448669405 /nfs/dbraw/zinc/66/94/05/448669405.db2.gz COIPLDBOUCGYNG-TZMCWYRMSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(Br)c1 ZINC000578905474 448669410 /nfs/dbraw/zinc/66/94/10/448669410.db2.gz COIPLDBOUCGYNG-TZMCWYRMSA-N 2 2 338.249 1.501 20 0 EDADLP COc1cc2c(cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)O[C@@H](C)C2 ZINC000518622313 448695466 /nfs/dbraw/zinc/69/54/66/448695466.db2.gz NDABWGNEDRUEBY-BBRMVZONSA-N 2 2 347.459 1.448 20 0 EDADLP COc1cc2c(cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)O[C@@H](C)C2 ZINC000518622313 448695470 /nfs/dbraw/zinc/69/54/70/448695470.db2.gz NDABWGNEDRUEBY-BBRMVZONSA-N 2 2 347.459 1.448 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000528799358 448682482 /nfs/dbraw/zinc/68/24/82/448682482.db2.gz SXQMLFJSNSQBPG-UHFFFAOYSA-N 2 2 328.420 1.384 20 0 EDADLP Cc1cc(NC(=O)N2CCn3c[nH+]cc3C2)n(C2CC[NH+](C)CC2)n1 ZINC000574005065 448766515 /nfs/dbraw/zinc/76/65/15/448766515.db2.gz BPQGISKRSGYGGW-UHFFFAOYSA-N 2 2 343.435 1.702 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000579139287 448725968 /nfs/dbraw/zinc/72/59/68/448725968.db2.gz CIPDTSLOKLHMKD-HNNXBMFYSA-N 2 2 342.443 1.737 20 0 EDADLP CCCOc1ccc(OCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000567753804 448753045 /nfs/dbraw/zinc/75/30/45/448753045.db2.gz HVAVZSLJJWWUCQ-WMLDXEAASA-N 2 2 333.432 1.098 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529285766 448807648 /nfs/dbraw/zinc/80/76/48/448807648.db2.gz KHLKUWMBMWECSE-HNNXBMFYSA-N 2 2 329.448 1.766 20 0 EDADLP Cc1ccccc1-c1cnc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)o1 ZINC000519651333 448812513 /nfs/dbraw/zinc/81/25/13/448812513.db2.gz QFQDTCMCSWSTFW-HIFRSBDPSA-N 2 2 326.400 1.394 20 0 EDADLP Cc1ccccc1-c1cnc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)o1 ZINC000519651333 448812516 /nfs/dbraw/zinc/81/25/16/448812516.db2.gz QFQDTCMCSWSTFW-HIFRSBDPSA-N 2 2 326.400 1.394 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H]3CCCNC3=O)CCC[NH+]2C)cn1 ZINC000574017861 448770568 /nfs/dbraw/zinc/77/05/68/448770568.db2.gz FOKPQPFCBPKVFG-ZMSDIMECSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H]3CCCNC3=O)CCC[NH+]2C)cn1 ZINC000574017861 448770571 /nfs/dbraw/zinc/77/05/71/448770571.db2.gz FOKPQPFCBPKVFG-ZMSDIMECSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H]3CCCNC3=O)CCC[N@@H+]2C)cn1 ZINC000574017861 448770573 /nfs/dbraw/zinc/77/05/73/448770573.db2.gz FOKPQPFCBPKVFG-ZMSDIMECSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H]3CCCNC3=O)CCC[N@H+]2C)cn1 ZINC000574017861 448770576 /nfs/dbraw/zinc/77/05/76/448770576.db2.gz FOKPQPFCBPKVFG-ZMSDIMECSA-N 2 2 333.480 1.261 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000519609591 448800140 /nfs/dbraw/zinc/80/01/40/448800140.db2.gz KWLDMOIPTTWSPM-BZUAXINKSA-N 2 2 347.459 1.487 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000519609591 448800142 /nfs/dbraw/zinc/80/01/42/448800142.db2.gz KWLDMOIPTTWSPM-BZUAXINKSA-N 2 2 347.459 1.487 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC[C@@H](CC[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529369606 448845391 /nfs/dbraw/zinc/84/53/91/448845391.db2.gz ZBNALMBIUPTBCN-HNNXBMFYSA-N 2 2 348.495 2.091 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000574277710 448833817 /nfs/dbraw/zinc/83/38/17/448833817.db2.gz SDJWGXHHLDAZGJ-IRXDYDNUSA-N 2 2 326.868 1.680 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000574277710 448833820 /nfs/dbraw/zinc/83/38/20/448833820.db2.gz SDJWGXHHLDAZGJ-IRXDYDNUSA-N 2 2 326.868 1.680 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC[C@H](CC[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529369607 448844929 /nfs/dbraw/zinc/84/49/29/448844929.db2.gz ZBNALMBIUPTBCN-OAHLLOKOSA-N 2 2 348.495 2.091 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)nn3C)CC2)CC1 ZINC000579942695 448914375 /nfs/dbraw/zinc/91/43/75/448914375.db2.gz MNVOMZUUBKSCMH-UHFFFAOYSA-N 2 2 348.495 1.752 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)nn3C)CC2)CC1 ZINC000579942695 448914381 /nfs/dbraw/zinc/91/43/81/448914381.db2.gz MNVOMZUUBKSCMH-UHFFFAOYSA-N 2 2 348.495 1.752 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000588706304 448918634 /nfs/dbraw/zinc/91/86/34/448918634.db2.gz QCNXKTUXFUFDLT-MRXNPFEDSA-N 2 2 343.475 1.327 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568856544 448927395 /nfs/dbraw/zinc/92/73/95/448927395.db2.gz VGLRJHIAXXRYDF-ARFHVFGLSA-N 2 2 339.867 1.826 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC[NH2+]1 ZINC000569122380 448967368 /nfs/dbraw/zinc/96/73/68/448967368.db2.gz GQJKJJPHCNVIBA-ZVZYQTTQSA-N 3 2 341.459 1.058 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000574862720 448973032 /nfs/dbraw/zinc/97/30/32/448973032.db2.gz QZFHQRPVXBZIQV-OAHLLOKOSA-N 2 2 346.475 1.474 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000574862720 448973037 /nfs/dbraw/zinc/97/30/37/448973037.db2.gz QZFHQRPVXBZIQV-OAHLLOKOSA-N 2 2 346.475 1.474 20 0 EDADLP CCN1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548346846 449027486 /nfs/dbraw/zinc/02/74/86/449027486.db2.gz RHQOONLBCCPYDB-UONOGXRCSA-N 2 2 337.493 1.052 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CCO1 ZINC000522268603 449072318 /nfs/dbraw/zinc/07/23/18/449072318.db2.gz JMUHMQLXQVEOAJ-WMZOPIPTSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CCO1 ZINC000522268603 449072324 /nfs/dbraw/zinc/07/23/24/449072324.db2.gz JMUHMQLXQVEOAJ-WMZOPIPTSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCO1 ZINC000522268603 449072331 /nfs/dbraw/zinc/07/23/31/449072331.db2.gz JMUHMQLXQVEOAJ-WMZOPIPTSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CCO1 ZINC000522268603 449072336 /nfs/dbraw/zinc/07/23/36/449072336.db2.gz JMUHMQLXQVEOAJ-WMZOPIPTSA-N 2 2 346.475 1.131 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c[nH+]1 ZINC000592955614 449076429 /nfs/dbraw/zinc/07/64/29/449076429.db2.gz AJHFZVJHOBFRID-ZDUSSCGKSA-N 2 2 328.420 1.110 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CCO1 ZINC000575129081 449043299 /nfs/dbraw/zinc/04/32/99/449043299.db2.gz XUAKSQBXLYEZPC-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CCO1 ZINC000575129081 449043306 /nfs/dbraw/zinc/04/33/06/449043306.db2.gz XUAKSQBXLYEZPC-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000575129081 449043310 /nfs/dbraw/zinc/04/33/10/449043310.db2.gz XUAKSQBXLYEZPC-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC000575129081 449043315 /nfs/dbraw/zinc/04/33/15/449043315.db2.gz XUAKSQBXLYEZPC-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccc(CO)cc2)CC1 ZINC000589734037 449057509 /nfs/dbraw/zinc/05/75/09/449057509.db2.gz KUUNEQAOWCHWMF-UHFFFAOYSA-N 2 2 334.460 1.729 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCN(c4cc[nH+]c(C)n4)CC3)ccn12 ZINC000582310393 449064231 /nfs/dbraw/zinc/06/42/31/449064231.db2.gz HJAJVUBGNBBJCL-UHFFFAOYSA-N 2 2 336.399 1.704 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000530220753 449085484 /nfs/dbraw/zinc/08/54/84/449085484.db2.gz CMYCKXCURIQLMZ-QGZVFWFLSA-N 2 2 348.878 1.970 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)[nH+]c12 ZINC000530290600 449105099 /nfs/dbraw/zinc/10/50/99/449105099.db2.gz BFTLSQWAUSSXMJ-CABCVRRESA-N 2 2 330.432 1.099 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)[nH+]c12 ZINC000530290600 449105102 /nfs/dbraw/zinc/10/51/02/449105102.db2.gz BFTLSQWAUSSXMJ-CABCVRRESA-N 2 2 330.432 1.099 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([S@@](C)=O)cc1 ZINC000597942745 449152748 /nfs/dbraw/zinc/15/27/48/449152748.db2.gz MSWTYTVJGRHANL-LFVRLGFBSA-N 2 2 339.505 1.426 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc([S@@](C)=O)cc1 ZINC000597942745 449152751 /nfs/dbraw/zinc/15/27/51/449152751.db2.gz MSWTYTVJGRHANL-LFVRLGFBSA-N 2 2 339.505 1.426 20 0 EDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331503 449207888 /nfs/dbraw/zinc/20/78/88/449207888.db2.gz QIEZRPUGFGWAJF-DOTOQJQBSA-N 2 2 330.476 1.860 20 0 EDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331503 449207895 /nfs/dbraw/zinc/20/78/95/449207895.db2.gz QIEZRPUGFGWAJF-DOTOQJQBSA-N 2 2 330.476 1.860 20 0 EDADLP COC(=O)CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611422322 449286005 /nfs/dbraw/zinc/28/60/05/449286005.db2.gz IJQCBYAPOVZHPV-AWEZNQCLSA-N 2 2 339.480 1.251 20 0 EDADLP COC(=O)CC(C)(C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611422322 449286011 /nfs/dbraw/zinc/28/60/11/449286011.db2.gz IJQCBYAPOVZHPV-AWEZNQCLSA-N 2 2 339.480 1.251 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000590849921 449320216 /nfs/dbraw/zinc/32/02/16/449320216.db2.gz HLPJXVUJPFSDFV-IRXDYDNUSA-N 2 2 349.479 1.586 20 0 EDADLP Cc1nnc(CN2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)[nH]1 ZINC000605422173 449378816 /nfs/dbraw/zinc/37/88/16/449378816.db2.gz NOJBVWPIQLSWQT-UHFFFAOYSA-N 2 2 337.431 1.617 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)CO ZINC000605574793 449399302 /nfs/dbraw/zinc/39/93/02/449399302.db2.gz MKOAWJVFGFKIIV-UHFFFAOYSA-N 2 2 335.448 1.160 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)CO ZINC000605574793 449399310 /nfs/dbraw/zinc/39/93/10/449399310.db2.gz MKOAWJVFGFKIIV-UHFFFAOYSA-N 2 2 335.448 1.160 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000602199031 449428004 /nfs/dbraw/zinc/42/80/04/449428004.db2.gz DLVRYCVEDQJHDC-OAHLLOKOSA-N 2 2 348.466 1.790 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000602199031 449428006 /nfs/dbraw/zinc/42/80/06/449428006.db2.gz DLVRYCVEDQJHDC-OAHLLOKOSA-N 2 2 348.466 1.790 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(-n4ccnc4)ncn3)C2)CC1 ZINC000607145568 449578639 /nfs/dbraw/zinc/57/86/39/449578639.db2.gz FYQAYRXKSJIIGO-AWEZNQCLSA-N 2 2 327.436 1.243 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(-n4ccnc4)ncn3)C2)CC1 ZINC000607145568 449578646 /nfs/dbraw/zinc/57/86/46/449578646.db2.gz FYQAYRXKSJIIGO-AWEZNQCLSA-N 2 2 327.436 1.243 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(-n4cc[nH+]c4)ncn3)C2)CC1 ZINC000607145568 449578651 /nfs/dbraw/zinc/57/86/51/449578651.db2.gz FYQAYRXKSJIIGO-AWEZNQCLSA-N 3 2 327.436 1.243 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(-n4cc[nH+]c4)ncn3)C2)CC1 ZINC000607145568 449578655 /nfs/dbraw/zinc/57/86/55/449578655.db2.gz FYQAYRXKSJIIGO-AWEZNQCLSA-N 3 2 327.436 1.243 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000600931697 449599337 /nfs/dbraw/zinc/59/93/37/449599337.db2.gz LCUIMCXVOBZBEQ-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000600931697 449599343 /nfs/dbraw/zinc/59/93/43/449599343.db2.gz LCUIMCXVOBZBEQ-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[C@@H]([NH+]3CCOCC3)CC1)CC2 ZINC000614435210 449608518 /nfs/dbraw/zinc/60/85/18/449608518.db2.gz BOIVEQYVNGYCIU-DLBZAZTESA-N 2 2 346.475 1.467 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1C ZINC000602478008 449622885 /nfs/dbraw/zinc/62/28/85/449622885.db2.gz ZNCHRMUBVFLIPQ-INIZCTEOSA-N 2 2 334.464 1.024 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1C ZINC000602478008 449622893 /nfs/dbraw/zinc/62/28/93/449622893.db2.gz ZNCHRMUBVFLIPQ-INIZCTEOSA-N 2 2 334.464 1.024 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)c2ccccc21 ZINC000617507160 449655251 /nfs/dbraw/zinc/65/52/51/449655251.db2.gz KRMYNOWHOVDLSR-YOEHRIQHSA-N 2 2 331.460 1.745 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CC(=O)c2ccccc21 ZINC000617507160 449655257 /nfs/dbraw/zinc/65/52/57/449655257.db2.gz KRMYNOWHOVDLSR-YOEHRIQHSA-N 2 2 331.460 1.745 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3c(F)cccc3F)C2)C1 ZINC000601017952 449655834 /nfs/dbraw/zinc/65/58/34/449655834.db2.gz QVICVMUWHIZRMK-ZIAGYGMSSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3c(F)cccc3F)C2)C1 ZINC000601017952 449655839 /nfs/dbraw/zinc/65/58/39/449655839.db2.gz QVICVMUWHIZRMK-ZIAGYGMSSA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000601017952 449655845 /nfs/dbraw/zinc/65/58/45/449655845.db2.gz QVICVMUWHIZRMK-ZIAGYGMSSA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000601017952 449655850 /nfs/dbraw/zinc/65/58/50/449655850.db2.gz QVICVMUWHIZRMK-ZIAGYGMSSA-N 2 2 337.414 1.997 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000601029622 449663015 /nfs/dbraw/zinc/66/30/15/449663015.db2.gz HPTDIRUCFSEWOD-ZACQAIPSSA-N 2 2 347.507 1.809 20 0 EDADLP CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@H]1CC[N@H+](C)C1 ZINC000617550437 449682223 /nfs/dbraw/zinc/68/22/23/449682223.db2.gz SQFTZCDNYXEWFD-JKSUJKDBSA-N 2 2 349.479 1.036 20 0 EDADLP CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000617550437 449682228 /nfs/dbraw/zinc/68/22/28/449682228.db2.gz SQFTZCDNYXEWFD-JKSUJKDBSA-N 2 2 349.479 1.036 20 0 EDADLP CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@H]1CC[N@H+](C)C1 ZINC000617550437 449682234 /nfs/dbraw/zinc/68/22/34/449682234.db2.gz SQFTZCDNYXEWFD-JKSUJKDBSA-N 2 2 349.479 1.036 20 0 EDADLP CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000617550437 449682238 /nfs/dbraw/zinc/68/22/38/449682238.db2.gz SQFTZCDNYXEWFD-JKSUJKDBSA-N 2 2 349.479 1.036 20 0 EDADLP COC(=O)[C@@H](O)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000597031701 449777130 /nfs/dbraw/zinc/77/71/30/449777130.db2.gz YOXQEKZYDVRUSK-INIZCTEOSA-N 2 2 330.388 1.013 20 0 EDADLP Cc1nn(CC(F)F)c(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764757 449824461 /nfs/dbraw/zinc/82/44/61/449824461.db2.gz FIQCXDUTCXJJHR-UHFFFAOYSA-N 2 2 345.438 1.378 20 0 EDADLP Cc1nn(CC(F)F)c(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764757 449824465 /nfs/dbraw/zinc/82/44/65/449824465.db2.gz FIQCXDUTCXJJHR-UHFFFAOYSA-N 2 2 345.438 1.378 20 0 EDADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2cc(F)ccc21 ZINC000617764379 449824810 /nfs/dbraw/zinc/82/48/10/449824810.db2.gz UOWPHTUELBAGSZ-UHFFFAOYSA-N 2 2 334.439 1.931 20 0 EDADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2cc(F)ccc21 ZINC000617764379 449824815 /nfs/dbraw/zinc/82/48/15/449824815.db2.gz UOWPHTUELBAGSZ-UHFFFAOYSA-N 2 2 334.439 1.931 20 0 EDADLP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)oc2c1C(=O)CCC2 ZINC000617767392 449830999 /nfs/dbraw/zinc/83/09/99/449830999.db2.gz SHNSYFSQKRFWQM-UHFFFAOYSA-N 2 2 335.448 1.720 20 0 EDADLP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)oc2c1C(=O)CCC2 ZINC000617767392 449831007 /nfs/dbraw/zinc/83/10/07/449831007.db2.gz SHNSYFSQKRFWQM-UHFFFAOYSA-N 2 2 335.448 1.720 20 0 EDADLP CC(=O)Nc1ccc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617768837 449833071 /nfs/dbraw/zinc/83/30/71/449833071.db2.gz WSRPPPLFSOIJGK-UHFFFAOYSA-N 2 2 334.464 1.187 20 0 EDADLP CC(=O)Nc1ccc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617768837 449833073 /nfs/dbraw/zinc/83/30/73/449833073.db2.gz WSRPPPLFSOIJGK-UHFFFAOYSA-N 2 2 334.464 1.187 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000599310046 449881889 /nfs/dbraw/zinc/88/18/89/449881889.db2.gz GAAGUTYAJJHIBJ-HKUYNNGSSA-N 2 2 344.503 1.798 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000599310046 449881891 /nfs/dbraw/zinc/88/18/91/449881891.db2.gz GAAGUTYAJJHIBJ-HKUYNNGSSA-N 2 2 344.503 1.798 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000599400134 449946596 /nfs/dbraw/zinc/94/65/96/449946596.db2.gz UJDKVSLMKPOSHQ-SJORKVTESA-N 2 2 344.459 1.559 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000599400134 449946602 /nfs/dbraw/zinc/94/66/02/449946602.db2.gz UJDKVSLMKPOSHQ-SJORKVTESA-N 2 2 344.459 1.559 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000599400134 449946608 /nfs/dbraw/zinc/94/66/08/449946608.db2.gz UJDKVSLMKPOSHQ-SJORKVTESA-N 2 2 344.459 1.559 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000599400134 449946613 /nfs/dbraw/zinc/94/66/13/449946613.db2.gz UJDKVSLMKPOSHQ-SJORKVTESA-N 2 2 344.459 1.559 20 0 EDADLP CSC1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000602922329 449922354 /nfs/dbraw/zinc/92/23/54/449922354.db2.gz HRZKUSOWBRCHOP-OAHLLOKOSA-N 2 2 348.516 1.946 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000595300076 450014298 /nfs/dbraw/zinc/01/42/98/450014298.db2.gz MFELPMUNWJUHMF-CABCVRRESA-N 2 2 348.447 1.463 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000595300076 450014301 /nfs/dbraw/zinc/01/43/01/450014301.db2.gz MFELPMUNWJUHMF-CABCVRRESA-N 2 2 348.447 1.463 20 0 EDADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334694 450048012 /nfs/dbraw/zinc/04/80/12/450048012.db2.gz VPISVPZAWIHFAP-HUUCEWRRSA-N 2 2 339.480 1.203 20 0 EDADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334694 450048020 /nfs/dbraw/zinc/04/80/20/450048020.db2.gz VPISVPZAWIHFAP-HUUCEWRRSA-N 2 2 339.480 1.203 20 0 EDADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334694 450048022 /nfs/dbraw/zinc/04/80/22/450048022.db2.gz VPISVPZAWIHFAP-HUUCEWRRSA-N 2 2 339.480 1.203 20 0 EDADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334694 450048031 /nfs/dbraw/zinc/04/80/31/450048031.db2.gz VPISVPZAWIHFAP-HUUCEWRRSA-N 2 2 339.480 1.203 20 0 EDADLP CSC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000601576868 450086480 /nfs/dbraw/zinc/08/64/80/450086480.db2.gz XNOFHWUZVOHNBS-CQSZACIVSA-N 2 2 340.537 1.692 20 0 EDADLP CSC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000601576868 450086483 /nfs/dbraw/zinc/08/64/83/450086483.db2.gz XNOFHWUZVOHNBS-CQSZACIVSA-N 2 2 340.537 1.692 20 0 EDADLP COC(=O)[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)O1 ZINC000599603954 450098127 /nfs/dbraw/zinc/09/81/27/450098127.db2.gz BSBVAGMREHQZCN-QAPCUYQASA-N 2 2 348.443 1.281 20 0 EDADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)O1 ZINC000599603954 450098129 /nfs/dbraw/zinc/09/81/29/450098129.db2.gz BSBVAGMREHQZCN-QAPCUYQASA-N 2 2 348.443 1.281 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000623550918 450541958 /nfs/dbraw/zinc/54/19/58/450541958.db2.gz DARWBVXAYZVRJM-HOTGVXAUSA-N 2 2 334.464 1.227 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000623550918 450541959 /nfs/dbraw/zinc/54/19/59/450541959.db2.gz DARWBVXAYZVRJM-HOTGVXAUSA-N 2 2 334.464 1.227 20 0 EDADLP COc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1OC(C)C ZINC000623617781 450552069 /nfs/dbraw/zinc/55/20/69/450552069.db2.gz OFDTWCWHWUIUKG-INIZCTEOSA-N 2 2 349.475 1.912 20 0 EDADLP COc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1OC(C)C ZINC000623617781 450552071 /nfs/dbraw/zinc/55/20/71/450552071.db2.gz OFDTWCWHWUIUKG-INIZCTEOSA-N 2 2 349.475 1.912 20 0 EDADLP COc1cc(C)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000623618345 450552799 /nfs/dbraw/zinc/55/27/99/450552799.db2.gz NJCVDOSDWOBVMX-HNNXBMFYSA-N 2 2 335.448 1.442 20 0 EDADLP COc1cc(C)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000623618345 450552802 /nfs/dbraw/zinc/55/28/02/450552802.db2.gz NJCVDOSDWOBVMX-HNNXBMFYSA-N 2 2 335.448 1.442 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000623618825 450553170 /nfs/dbraw/zinc/55/31/70/450553170.db2.gz GLXFROLBRBQTQB-ZDUSSCGKSA-N 2 2 347.488 1.703 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000623618825 450553171 /nfs/dbraw/zinc/55/31/71/450553171.db2.gz GLXFROLBRBQTQB-ZDUSSCGKSA-N 2 2 347.488 1.703 20 0 EDADLP Cc1cc(NCCNC(=O)NC[C@H]2CCC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000623721964 450572947 /nfs/dbraw/zinc/57/29/47/450572947.db2.gz XKMDEBJPUXIDKD-OAHLLOKOSA-N 2 2 348.495 1.961 20 0 EDADLP Cc1cc(NCCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000623721964 450572950 /nfs/dbraw/zinc/57/29/50/450572950.db2.gz XKMDEBJPUXIDKD-OAHLLOKOSA-N 2 2 348.495 1.961 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H](OCC[NH+]3CCCC3)C1)CC2 ZINC000626122328 450578915 /nfs/dbraw/zinc/57/89/15/450578915.db2.gz RYIFUSRYOZILES-SJORKVTESA-N 2 2 346.475 1.467 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000621105810 450581771 /nfs/dbraw/zinc/58/17/71/450581771.db2.gz YIFLYXZPDYRFCN-OAHLLOKOSA-N 2 2 340.431 1.514 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000621105810 450581772 /nfs/dbraw/zinc/58/17/72/450581772.db2.gz YIFLYXZPDYRFCN-OAHLLOKOSA-N 2 2 340.431 1.514 20 0 EDADLP CC1([NH+]2CCCC2)CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000631445864 450596166 /nfs/dbraw/zinc/59/61/66/450596166.db2.gz PNRNDFKRPSMPHF-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000627309754 450638481 /nfs/dbraw/zinc/63/84/81/450638481.db2.gz ZETNWFOXCGZXLA-HZPDHXFCSA-N 2 2 346.475 1.276 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000627309754 450638487 /nfs/dbraw/zinc/63/84/87/450638487.db2.gz ZETNWFOXCGZXLA-HZPDHXFCSA-N 2 2 346.475 1.276 20 0 EDADLP C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CC[NH+](C)CC1 ZINC000623968526 450654353 /nfs/dbraw/zinc/65/43/53/450654353.db2.gz FTBFPBCNECXGMR-GJZGRUSLSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C1CC[NH+](C)CC1 ZINC000623968526 450654355 /nfs/dbraw/zinc/65/43/55/450654355.db2.gz FTBFPBCNECXGMR-GJZGRUSLSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)(C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1c[nH]c[nH+]1 ZINC000621289950 450660760 /nfs/dbraw/zinc/66/07/60/450660760.db2.gz VZRMSBQKCVEOSI-UHFFFAOYSA-N 2 2 342.443 1.836 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000635115384 450660900 /nfs/dbraw/zinc/66/09/00/450660900.db2.gz FSCGTLGPYCQVAA-IBGZPJMESA-N 2 2 345.487 1.484 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000635115384 450660905 /nfs/dbraw/zinc/66/09/05/450660905.db2.gz FSCGTLGPYCQVAA-IBGZPJMESA-N 2 2 345.487 1.484 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000623988389 450662114 /nfs/dbraw/zinc/66/21/14/450662114.db2.gz HUPVQRYAYCBAJE-SJORKVTESA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000623988389 450662118 /nfs/dbraw/zinc/66/21/18/450662118.db2.gz HUPVQRYAYCBAJE-SJORKVTESA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000623988389 450662124 /nfs/dbraw/zinc/66/21/24/450662124.db2.gz HUPVQRYAYCBAJE-SJORKVTESA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000623988389 450662127 /nfs/dbraw/zinc/66/21/27/450662127.db2.gz HUPVQRYAYCBAJE-SJORKVTESA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC[N@@H+]1C ZINC000631580081 450664445 /nfs/dbraw/zinc/66/44/45/450664445.db2.gz GASWCNDNMUANES-OWCLPIDISA-N 2 2 333.480 1.460 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC[N@H+]1C ZINC000631580081 450664449 /nfs/dbraw/zinc/66/44/49/450664449.db2.gz GASWCNDNMUANES-OWCLPIDISA-N 2 2 333.480 1.460 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000629419958 450665153 /nfs/dbraw/zinc/66/51/53/450665153.db2.gz YFMWUBQLEYVUIW-UHFFFAOYSA-N 2 2 334.464 1.767 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000624004318 450667085 /nfs/dbraw/zinc/66/70/85/450667085.db2.gz DBWBOTBVNUAHBB-AWEZNQCLSA-N 2 2 325.416 1.775 20 0 EDADLP C[C@@H]1CCn2cc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)nc2C1 ZINC000631625488 450682275 /nfs/dbraw/zinc/68/22/75/450682275.db2.gz NQJJDGCBLVBQNE-CQSZACIVSA-N 2 2 333.480 1.221 20 0 EDADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624084811 450699947 /nfs/dbraw/zinc/69/99/47/450699947.db2.gz PMORPKPUQCZKLF-HOCLYGCPSA-N 2 2 347.459 1.666 20 0 EDADLP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624084811 450699951 /nfs/dbraw/zinc/69/99/51/450699951.db2.gz PMORPKPUQCZKLF-HOCLYGCPSA-N 2 2 347.459 1.666 20 0 EDADLP C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1CO ZINC000621366059 450700848 /nfs/dbraw/zinc/70/08/48/450700848.db2.gz FFPQBUHSNRITTQ-DLBZAZTESA-N 2 2 346.475 1.071 20 0 EDADLP C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1CO ZINC000621366059 450700854 /nfs/dbraw/zinc/70/08/54/450700854.db2.gz FFPQBUHSNRITTQ-DLBZAZTESA-N 2 2 346.475 1.071 20 0 EDADLP C[NH+](C)[C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1cccc(F)c1 ZINC000631664437 450702991 /nfs/dbraw/zinc/70/29/91/450702991.db2.gz SLNQXPWZDYFBFH-OAHLLOKOSA-N 2 2 343.468 1.442 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000635158807 450704371 /nfs/dbraw/zinc/70/43/71/450704371.db2.gz XKXBSTDJUDSLMH-INIZCTEOSA-N 2 2 341.459 1.320 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000635158807 450704377 /nfs/dbraw/zinc/70/43/77/450704377.db2.gz XKXBSTDJUDSLMH-INIZCTEOSA-N 2 2 341.459 1.320 20 0 EDADLP CC1(C)CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@@H+]1CCO ZINC000624142785 450722531 /nfs/dbraw/zinc/72/25/31/450722531.db2.gz JINGUERFQHZSDP-UHFFFAOYSA-N 2 2 325.416 1.775 20 0 EDADLP CC1(C)CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@H+]1CCO ZINC000624142785 450722535 /nfs/dbraw/zinc/72/25/35/450722535.db2.gz JINGUERFQHZSDP-UHFFFAOYSA-N 2 2 325.416 1.775 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccnc(OC2CCOCC2)c1)C[NH+]1CCCC1 ZINC000629562833 450737979 /nfs/dbraw/zinc/73/79/79/450737979.db2.gz COHIBCLPWSNDJU-INIZCTEOSA-N 2 2 335.448 1.186 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(O[C@H]2CCOC2)c1 ZINC000629566371 450739418 /nfs/dbraw/zinc/73/94/18/450739418.db2.gz JMIVZPFVPKPLLT-ROUUACIJSA-N 2 2 334.460 1.709 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743792 450745121 /nfs/dbraw/zinc/74/51/21/450745121.db2.gz BYJJBFALFBLEGJ-YYQUZTFQSA-N 2 2 341.521 1.452 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743792 450745124 /nfs/dbraw/zinc/74/51/24/450745124.db2.gz BYJJBFALFBLEGJ-YYQUZTFQSA-N 2 2 341.521 1.452 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cscc1Cl ZINC000635208819 450751513 /nfs/dbraw/zinc/75/15/13/450751513.db2.gz KGTGJOGKCQLIHV-UHFFFAOYSA-N 2 2 346.884 1.340 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cscc1Cl ZINC000635208819 450751516 /nfs/dbraw/zinc/75/15/16/450751516.db2.gz KGTGJOGKCQLIHV-UHFFFAOYSA-N 2 2 346.884 1.340 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000631790815 450778820 /nfs/dbraw/zinc/77/88/20/450778820.db2.gz BXQPFPCRCQFBGH-UHFFFAOYSA-N 2 2 334.445 1.386 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000624388736 450825751 /nfs/dbraw/zinc/82/57/51/450825751.db2.gz GGZLNVOOFQWOAF-HNNXBMFYSA-N 2 2 349.479 1.768 20 0 EDADLP O=C1Nc2ccccc2C12CCC([NH2+]CC[N@H+]1CC[C@H](O)C1)CC2 ZINC000624332862 450798612 /nfs/dbraw/zinc/79/86/12/450798612.db2.gz BCRMBZJJFYDMBT-HVEKOLDVSA-N 2 2 329.444 1.475 20 0 EDADLP O=C1Nc2ccccc2C12CCC([NH2+]CC[N@@H+]1CC[C@H](O)C1)CC2 ZINC000624332862 450798614 /nfs/dbraw/zinc/79/86/14/450798614.db2.gz BCRMBZJJFYDMBT-HVEKOLDVSA-N 2 2 329.444 1.475 20 0 EDADLP [NH3+][C@H]1CCCCC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000631833572 450803003 /nfs/dbraw/zinc/80/30/03/450803003.db2.gz CXTQIUVCOPAEPH-KRWDZBQOSA-N 2 2 348.466 1.678 20 0 EDADLP [NH3+][C@H]1CCCCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000631833572 450803006 /nfs/dbraw/zinc/80/30/06/450803006.db2.gz CXTQIUVCOPAEPH-KRWDZBQOSA-N 2 2 348.466 1.678 20 0 EDADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)nn1 ZINC000631889188 450850571 /nfs/dbraw/zinc/85/05/71/450850571.db2.gz CZGMCWAGIZTILS-DGCLKSJQSA-N 2 2 330.354 1.992 20 0 EDADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)nn1 ZINC000631889188 450850575 /nfs/dbraw/zinc/85/05/75/450850575.db2.gz CZGMCWAGIZTILS-DGCLKSJQSA-N 2 2 330.354 1.992 20 0 EDADLP Cc1c[nH+]cn1Cc1nc(-c2ccnc(N3CC[NH+](C)CC3)c2)no1 ZINC000624652354 450940248 /nfs/dbraw/zinc/94/02/48/450940248.db2.gz AOQVBEAHEOBQOG-UHFFFAOYSA-N 2 2 339.403 1.437 20 0 EDADLP COc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)sn1 ZINC000624548976 450890456 /nfs/dbraw/zinc/89/04/56/450890456.db2.gz FKMVKLMEKYYOHV-UHFFFAOYSA-N 2 2 333.417 1.551 20 0 EDADLP C[N@H+](CC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)C1CCC1 ZINC000630006786 450947357 /nfs/dbraw/zinc/94/73/57/450947357.db2.gz SKNSGJGTXAKJAU-UHFFFAOYSA-N 2 2 335.448 1.425 20 0 EDADLP C[N@@H+](CC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)C1CCC1 ZINC000630006786 450947365 /nfs/dbraw/zinc/94/73/65/450947365.db2.gz SKNSGJGTXAKJAU-UHFFFAOYSA-N 2 2 335.448 1.425 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635472749 450972048 /nfs/dbraw/zinc/97/20/48/450972048.db2.gz PVTNAZVTJVMVSA-YYIAUSFCSA-N 2 2 345.491 1.530 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635472749 450972050 /nfs/dbraw/zinc/97/20/50/450972050.db2.gz PVTNAZVTJVMVSA-YYIAUSFCSA-N 2 2 345.491 1.530 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635472749 450972054 /nfs/dbraw/zinc/97/20/54/450972054.db2.gz PVTNAZVTJVMVSA-YYIAUSFCSA-N 2 2 345.491 1.530 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635472749 450972056 /nfs/dbraw/zinc/97/20/56/450972056.db2.gz PVTNAZVTJVMVSA-YYIAUSFCSA-N 2 2 345.491 1.530 20 0 EDADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1)C1CC1 ZINC000635497618 450992346 /nfs/dbraw/zinc/99/23/46/450992346.db2.gz RKIBYUQGNVZMOY-SFHVURJKSA-N 2 2 331.460 1.870 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1)C1CC1 ZINC000635497618 450992352 /nfs/dbraw/zinc/99/23/52/450992352.db2.gz RKIBYUQGNVZMOY-SFHVURJKSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C1CC1 ZINC000635497618 450992355 /nfs/dbraw/zinc/99/23/55/450992355.db2.gz RKIBYUQGNVZMOY-SFHVURJKSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)C1CC1 ZINC000635497618 450992360 /nfs/dbraw/zinc/99/23/60/450992360.db2.gz RKIBYUQGNVZMOY-SFHVURJKSA-N 2 2 331.460 1.870 20 0 EDADLP CCN(CC[NH3+])C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000626933993 451016928 /nfs/dbraw/zinc/01/69/28/451016928.db2.gz RKVXASLOFVSNFW-QGZVFWFLSA-N 2 2 334.464 1.359 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000632087167 451026597 /nfs/dbraw/zinc/02/65/97/451026597.db2.gz OAUCOGBZLWGIMM-CQSZACIVSA-N 2 2 326.466 1.752 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000635498634 450993347 /nfs/dbraw/zinc/99/33/47/450993347.db2.gz XQGDXKHJWBIUJU-SFHVURJKSA-N 2 2 331.460 1.824 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000635498634 450993350 /nfs/dbraw/zinc/99/33/50/450993350.db2.gz XQGDXKHJWBIUJU-SFHVURJKSA-N 2 2 331.460 1.824 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000622143635 451064120 /nfs/dbraw/zinc/06/41/20/451064120.db2.gz CKAIXYMTRIMOIB-ZMSDIMECSA-N 2 2 341.496 1.005 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000622143635 451064127 /nfs/dbraw/zinc/06/41/27/451064127.db2.gz CKAIXYMTRIMOIB-ZMSDIMECSA-N 2 2 341.496 1.005 20 0 EDADLP CCc1c[nH]c(CC(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)[nH+]1 ZINC000635611302 451104110 /nfs/dbraw/zinc/10/41/10/451104110.db2.gz JGZHBYYNHLZOLD-AWEZNQCLSA-N 2 2 334.464 1.664 20 0 EDADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cnc(C4CC4)o3)ccn2)CC1 ZINC000628203277 451179060 /nfs/dbraw/zinc/17/90/60/451179060.db2.gz ATUXUABRMFMFCP-UHFFFAOYSA-N 2 2 327.432 1.989 20 0 EDADLP CCc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n(C)n1 ZINC000635734819 451205622 /nfs/dbraw/zinc/20/56/22/451205622.db2.gz HXSNWJQVKHQSJL-SJPCQFCGSA-N 2 2 345.491 1.366 20 0 EDADLP CCc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n(C)n1 ZINC000635734819 451205627 /nfs/dbraw/zinc/20/56/27/451205627.db2.gz HXSNWJQVKHQSJL-SJPCQFCGSA-N 2 2 345.491 1.366 20 0 EDADLP CC[C@@H]1C[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCO1 ZINC000634193526 451229343 /nfs/dbraw/zinc/22/93/43/451229343.db2.gz JPJYYFRFIMRLLC-GOEBONIOSA-N 2 2 332.448 1.977 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000628389839 451240877 /nfs/dbraw/zinc/24/08/77/451240877.db2.gz WULXPDSHBPSULE-UHFFFAOYSA-N 2 2 336.403 1.083 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H](CC(N)=O)C1 ZINC000628474492 451263140 /nfs/dbraw/zinc/26/31/40/451263140.db2.gz CZTLRJSZGCQBAW-QGZVFWFLSA-N 2 2 333.476 1.721 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCO[C@H](CC(N)=O)C1 ZINC000628474492 451263144 /nfs/dbraw/zinc/26/31/44/451263144.db2.gz CZTLRJSZGCQBAW-QGZVFWFLSA-N 2 2 333.476 1.721 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628474492 451263147 /nfs/dbraw/zinc/26/31/47/451263147.db2.gz CZTLRJSZGCQBAW-QGZVFWFLSA-N 2 2 333.476 1.721 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000628474492 451263150 /nfs/dbraw/zinc/26/31/50/451263150.db2.gz CZTLRJSZGCQBAW-QGZVFWFLSA-N 2 2 333.476 1.721 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000638099917 451264901 /nfs/dbraw/zinc/26/49/01/451264901.db2.gz KGTMVYZKXUYCMR-ZIAGYGMSSA-N 2 2 326.448 1.397 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000638099917 451264907 /nfs/dbraw/zinc/26/49/07/451264907.db2.gz KGTMVYZKXUYCMR-ZIAGYGMSSA-N 2 2 326.448 1.397 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@@]2(C[NH3+])CCCOC2)c1)[NH+]1CCOCC1 ZINC000638101185 451267621 /nfs/dbraw/zinc/26/76/21/451267621.db2.gz OJUMFUGAIWPEPY-HNAYVOBHSA-N 2 2 347.459 1.774 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NCCc2cn3ccccc3[nH+]2)cn1 ZINC000630630760 451287285 /nfs/dbraw/zinc/28/72/85/451287285.db2.gz ODXQMMHLSUOGLN-UHFFFAOYSA-N 2 2 326.404 1.065 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)CCC2C[NH2+]C2)c2cccs2)CC1 ZINC000638135167 451308704 /nfs/dbraw/zinc/30/87/04/451308704.db2.gz RDECBUNWWSQGCO-HNNXBMFYSA-N 2 2 336.505 1.152 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000638140052 451314467 /nfs/dbraw/zinc/31/44/67/451314467.db2.gz SZRXOZFMXQWIIO-AWEZNQCLSA-N 2 2 338.883 1.576 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000638138603 451314711 /nfs/dbraw/zinc/31/47/11/451314711.db2.gz CQBQZBKXQAMXMQ-CQSZACIVSA-N 2 2 328.416 1.961 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC000636613588 451352190 /nfs/dbraw/zinc/35/21/90/451352190.db2.gz JRXNJVMSGGDDRG-ZBFHGGJFSA-N 2 2 331.395 1.549 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638278042 451396358 /nfs/dbraw/zinc/39/63/58/451396358.db2.gz PULZHAIIVXSFET-KBXCAEBGSA-N 2 2 335.423 1.409 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)n1cc[nH+]c1 ZINC000635960703 451399657 /nfs/dbraw/zinc/39/96/57/451399657.db2.gz WGJHQGGOVXGZQH-QGZVFWFLSA-N 2 2 333.480 1.176 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000635968114 451404662 /nfs/dbraw/zinc/40/46/62/451404662.db2.gz SAKYJMFGBZWOOL-DAYGRLMNSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000635968114 451404667 /nfs/dbraw/zinc/40/46/67/451404667.db2.gz SAKYJMFGBZWOOL-DAYGRLMNSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1 ZINC000635968114 451404672 /nfs/dbraw/zinc/40/46/72/451404672.db2.gz SAKYJMFGBZWOOL-DAYGRLMNSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1 ZINC000635968114 451404679 /nfs/dbraw/zinc/40/46/79/451404679.db2.gz SAKYJMFGBZWOOL-DAYGRLMNSA-N 2 2 331.460 1.821 20 0 EDADLP C[C@H]([C@H](C)NC(=O)Nc1cc(C[NH+](C)C)ccn1)[NH+]1CCOCC1 ZINC000640561086 451407248 /nfs/dbraw/zinc/40/72/48/451407248.db2.gz XZTMOOKCCGLYQA-UONOGXRCSA-N 2 2 335.452 1.374 20 0 EDADLP C[C@H](C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000628774582 451408859 /nfs/dbraw/zinc/40/88/59/451408859.db2.gz TYUTWWQSEDOWEO-CZUORRHYSA-N 2 2 345.422 1.390 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000640568798 451413425 /nfs/dbraw/zinc/41/34/25/451413425.db2.gz VRTQFTCBBHMWIV-HNNXBMFYSA-N 2 2 340.431 1.939 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000635991751 451422870 /nfs/dbraw/zinc/42/28/70/451422870.db2.gz QQLCWHBQULQGCW-XQQFMLRXSA-N 2 2 346.353 1.356 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000635991751 451422874 /nfs/dbraw/zinc/42/28/74/451422874.db2.gz QQLCWHBQULQGCW-XQQFMLRXSA-N 2 2 346.353 1.356 20 0 EDADLP CC(=O)N1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000634641055 451432315 /nfs/dbraw/zinc/43/23/15/451432315.db2.gz MBGIMQRUBXZXGV-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP CC(=O)N1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000634641055 451432318 /nfs/dbraw/zinc/43/23/18/451432318.db2.gz MBGIMQRUBXZXGV-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP CC(=O)N1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634641055 451432321 /nfs/dbraw/zinc/43/23/21/451432321.db2.gz MBGIMQRUBXZXGV-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP CC(=O)N1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634641055 451432323 /nfs/dbraw/zinc/43/23/23/451432323.db2.gz MBGIMQRUBXZXGV-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP C[C@@](O)(C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000634642192 451434966 /nfs/dbraw/zinc/43/49/66/451434966.db2.gz GFDXKIWGICFDPW-RTBURBONSA-N 2 2 333.476 1.548 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc[nH+]1 ZINC000640608255 451454347 /nfs/dbraw/zinc/45/43/47/451454347.db2.gz ABRVZUPFXFRBTA-UHFFFAOYSA-N 2 2 340.431 1.892 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccnc(C[NH+](C)C)c2)[C@@H](C)C[N@@H+]1CCO ZINC000640619273 451465857 /nfs/dbraw/zinc/46/58/57/451465857.db2.gz IQJHFARBUVIMCU-KGLIPLIRSA-N 2 2 335.452 1.062 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccnc(C[NH+](C)C)c2)[C@@H](C)C[N@H+]1CCO ZINC000640619273 451465861 /nfs/dbraw/zinc/46/58/61/451465861.db2.gz IQJHFARBUVIMCU-KGLIPLIRSA-N 2 2 335.452 1.062 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628916035 451475557 /nfs/dbraw/zinc/47/55/57/451475557.db2.gz BJZPYWXSHSPISH-INIZCTEOSA-N 2 2 332.448 1.053 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628916035 451475564 /nfs/dbraw/zinc/47/55/64/451475564.db2.gz BJZPYWXSHSPISH-INIZCTEOSA-N 2 2 332.448 1.053 20 0 EDADLP CN(C)c1cc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc[nH+]1 ZINC000640601411 451446583 /nfs/dbraw/zinc/44/65/83/451446583.db2.gz GJKYATBWBLGIHO-UHFFFAOYSA-N 2 2 335.452 1.722 20 0 EDADLP CN(C)c1cc(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc[nH+]1 ZINC000640601411 451446591 /nfs/dbraw/zinc/44/65/91/451446591.db2.gz GJKYATBWBLGIHO-UHFFFAOYSA-N 2 2 335.452 1.722 20 0 EDADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000634721169 451502173 /nfs/dbraw/zinc/50/21/73/451502173.db2.gz USBAAVUWIMEHDZ-JYJNAYRXSA-N 2 2 346.393 1.915 20 0 EDADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000634721169 451502178 /nfs/dbraw/zinc/50/21/78/451502178.db2.gz USBAAVUWIMEHDZ-JYJNAYRXSA-N 2 2 346.393 1.915 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c1 ZINC000638435635 451515028 /nfs/dbraw/zinc/51/50/28/451515028.db2.gz DQDVLSUOVIGQDU-HZPDHXFCSA-N 2 2 342.443 1.908 20 0 EDADLP CN1CCCC[C@H]([N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000634745334 451522297 /nfs/dbraw/zinc/52/22/97/451522297.db2.gz DGAGDBDIPWRHMY-AZUAARDMSA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@H]([N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000634745334 451522300 /nfs/dbraw/zinc/52/23/00/451522300.db2.gz DGAGDBDIPWRHMY-AZUAARDMSA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@H]([NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000634745334 451522304 /nfs/dbraw/zinc/52/23/04/451522304.db2.gz DGAGDBDIPWRHMY-AZUAARDMSA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@H]([NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000634745334 451522306 /nfs/dbraw/zinc/52/23/06/451522306.db2.gz DGAGDBDIPWRHMY-AZUAARDMSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)[C@H]1CC[NH3+] ZINC000634811388 451566810 /nfs/dbraw/zinc/56/68/10/451566810.db2.gz DASGZKJPBMOGAE-GJZGRUSLSA-N 2 2 333.480 1.782 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)[C@H]1CC[NH3+] ZINC000634811388 451566813 /nfs/dbraw/zinc/56/68/13/451566813.db2.gz DASGZKJPBMOGAE-GJZGRUSLSA-N 2 2 333.480 1.782 20 0 EDADLP C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631075143 451569654 /nfs/dbraw/zinc/56/96/54/451569654.db2.gz BQOCSIHGMUGHNS-DLBZAZTESA-N 2 2 336.476 1.894 20 0 EDADLP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631120793 451596194 /nfs/dbraw/zinc/59/61/94/451596194.db2.gz DCOCIIAAUAUWIO-VQIMIIECSA-N 2 2 334.460 1.912 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH+]3CCCCC3)no2)CC[N@@H+]1C ZINC000632876690 451628223 /nfs/dbraw/zinc/62/82/23/451628223.db2.gz VRANGGPTXHADSM-UONOGXRCSA-N 2 2 335.452 1.402 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCc2nc(C[NH+]3CCCCC3)no2)CC[N@H+]1C ZINC000632876690 451628228 /nfs/dbraw/zinc/62/82/28/451628228.db2.gz VRANGGPTXHADSM-UONOGXRCSA-N 2 2 335.452 1.402 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636293042 451661782 /nfs/dbraw/zinc/66/17/82/451661782.db2.gz IDFMMXMPZIDILN-KRWDZBQOSA-N 2 2 339.443 1.227 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000638758549 451681865 /nfs/dbraw/zinc/68/18/65/451681865.db2.gz XQYFNYFXSKTDKG-CQSZACIVSA-N 2 2 340.830 1.898 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000637073514 451709864 /nfs/dbraw/zinc/70/98/64/451709864.db2.gz BCMNKVACLIFAJG-INIZCTEOSA-N 2 2 327.432 1.411 20 0 EDADLP CN(C(=O)c1nc(C2CC2)no1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631363092 451711669 /nfs/dbraw/zinc/71/16/69/451711669.db2.gz IKWYFKVIWOKEMM-AWEZNQCLSA-N 2 2 333.436 1.188 20 0 EDADLP CN(C(=O)c1nc(C2CC2)no1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631363092 451711671 /nfs/dbraw/zinc/71/16/71/451711671.db2.gz IKWYFKVIWOKEMM-AWEZNQCLSA-N 2 2 333.436 1.188 20 0 EDADLP Cc1nn(C(C)C)cc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985767 451746305 /nfs/dbraw/zinc/74/63/05/451746305.db2.gz NTEOCGNGJFZJKW-UHFFFAOYSA-N 2 2 328.420 1.829 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)C1([NH2+]C2CC2)CCC1 ZINC000638989381 451748446 /nfs/dbraw/zinc/74/84/46/451748446.db2.gz PRLFAJXEFSWFQQ-UHFFFAOYSA-N 2 2 346.500 1.926 20 0 EDADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641113294 451753512 /nfs/dbraw/zinc/75/35/12/451753512.db2.gz ZQKLUURHEHGQFG-UHFFFAOYSA-N 2 2 325.420 1.857 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)Cn3cc(C[NH2+]C4CC4)nn3)c2cc1C ZINC000641213338 451783206 /nfs/dbraw/zinc/78/32/06/451783206.db2.gz FIGRXSPQCGVNHA-INIZCTEOSA-N 2 2 340.431 1.558 20 0 EDADLP C[N@@H+](CCCNS(=O)(=O)CCn1cc[nH+]c1)Cc1ccccc1 ZINC000641262113 451797653 /nfs/dbraw/zinc/79/76/53/451797653.db2.gz RWXYRRSUMIXIBI-UHFFFAOYSA-N 2 2 336.461 1.325 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000639350876 451840326 /nfs/dbraw/zinc/84/03/26/451840326.db2.gz SFQVQFUJMWEHRQ-UHFFFAOYSA-N 2 2 341.402 1.930 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCC[NH+]2CCC2)cc1 ZINC000637387305 451818369 /nfs/dbraw/zinc/81/83/69/451818369.db2.gz PLVJZTGTCKWWDZ-MRXNPFEDSA-N 2 2 332.448 1.274 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCC[NH+]2CCC2)cc1 ZINC000637387305 451818373 /nfs/dbraw/zinc/81/83/73/451818373.db2.gz PLVJZTGTCKWWDZ-MRXNPFEDSA-N 2 2 332.448 1.274 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000639336700 451832040 /nfs/dbraw/zinc/83/20/40/451832040.db2.gz FLQDJSZLHORKAC-ZDUSSCGKSA-N 2 2 343.518 1.607 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000639336700 451832045 /nfs/dbraw/zinc/83/20/45/451832045.db2.gz FLQDJSZLHORKAC-ZDUSSCGKSA-N 2 2 343.518 1.607 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000641323706 451847428 /nfs/dbraw/zinc/84/74/28/451847428.db2.gz NTWHFFISFNHJHM-INIZCTEOSA-N 2 2 349.500 1.437 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000641323706 451847436 /nfs/dbraw/zinc/84/74/36/451847436.db2.gz NTWHFFISFNHJHM-INIZCTEOSA-N 2 2 349.500 1.437 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000641323706 451847443 /nfs/dbraw/zinc/84/74/43/451847443.db2.gz NTWHFFISFNHJHM-INIZCTEOSA-N 2 2 349.500 1.437 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCN1CCOCC1(C)C ZINC000644545886 451853326 /nfs/dbraw/zinc/85/33/26/451853326.db2.gz DCSLATZEBYSJGH-SFHVURJKSA-N 2 2 335.492 1.180 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCN1CCOCC1(C)C ZINC000644545886 451853330 /nfs/dbraw/zinc/85/33/30/451853330.db2.gz DCSLATZEBYSJGH-SFHVURJKSA-N 2 2 335.492 1.180 20 0 EDADLP CCO[C@@H]1CN(C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@H]1C[NH3+] ZINC000653349441 451860071 /nfs/dbraw/zinc/86/00/71/451860071.db2.gz OZAFVJDXDRTILQ-RHSMWYFYSA-N 2 2 330.432 1.557 20 0 EDADLP COCCOCC[NH+]1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000651485724 451860168 /nfs/dbraw/zinc/86/01/68/451860168.db2.gz HYZMBYXWIHIKCF-UHFFFAOYSA-N 2 2 334.464 1.449 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000641336450 451860572 /nfs/dbraw/zinc/86/05/72/451860572.db2.gz HCTOTHUXCYKHFJ-OAHLLOKOSA-N 2 2 326.466 1.163 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000637470014 451886545 /nfs/dbraw/zinc/88/65/45/451886545.db2.gz IEDLRTBFRMVHMB-ZACQAIPSSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000637470014 451886546 /nfs/dbraw/zinc/88/65/46/451886546.db2.gz IEDLRTBFRMVHMB-ZACQAIPSSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000637470014 451886551 /nfs/dbraw/zinc/88/65/51/451886551.db2.gz IEDLRTBFRMVHMB-ZACQAIPSSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000637470014 451886556 /nfs/dbraw/zinc/88/65/56/451886556.db2.gz IEDLRTBFRMVHMB-ZACQAIPSSA-N 2 2 336.480 1.166 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(F)cccc1F ZINC000649278969 451948648 /nfs/dbraw/zinc/94/86/48/451948648.db2.gz PFVMPVMRTPVJRE-BLLLJJGKSA-N 2 2 339.386 1.288 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641375180 451909204 /nfs/dbraw/zinc/90/92/04/451909204.db2.gz SQQLLFNJKRHSJI-KFWWJZLASA-N 2 2 328.482 1.169 20 0 EDADLP COC[C@]1(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000649279605 451950904 /nfs/dbraw/zinc/95/09/04/451950904.db2.gz BXZYNOSRBGVVCD-IBGZPJMESA-N 2 2 331.460 1.408 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)CNc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000644691029 451939626 /nfs/dbraw/zinc/93/96/26/451939626.db2.gz JGOPUMBSHHDRGE-RVKKMQEKSA-N 2 2 330.432 1.754 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)CNc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000644691029 451939629 /nfs/dbraw/zinc/93/96/29/451939629.db2.gz JGOPUMBSHHDRGE-RVKKMQEKSA-N 2 2 330.432 1.754 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[NH2+]CC3(C)C)CC2)cs1 ZINC000649273394 451944864 /nfs/dbraw/zinc/94/48/64/451944864.db2.gz HXJQMMJKWXHLLN-UHFFFAOYSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H]4CN(C)C[C@H]43)c2cc1C ZINC000644733747 451958462 /nfs/dbraw/zinc/95/84/62/451958462.db2.gz MAZJTMCRHZOUSL-FRQCXROJSA-N 2 2 328.460 1.650 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H]4CN(C)C[C@H]43)c2cc1C ZINC000644733747 451958471 /nfs/dbraw/zinc/95/84/71/451958471.db2.gz MAZJTMCRHZOUSL-FRQCXROJSA-N 2 2 328.460 1.650 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000649295911 451972038 /nfs/dbraw/zinc/97/20/38/451972038.db2.gz FZXOTGMLFDAGHF-BZSNNMDCSA-N 2 2 331.460 1.551 20 0 EDADLP COc1ccc(-c2nnc(NCC[NH+]3CCC([NH+](C)C)CC3)o2)cc1 ZINC000641436999 451975298 /nfs/dbraw/zinc/97/52/98/451975298.db2.gz DYOXBNLEBHNAPR-UHFFFAOYSA-N 2 2 345.447 2.183 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000649306140 451983019 /nfs/dbraw/zinc/98/30/19/451983019.db2.gz BVRWHFOJMGRLAP-QGZVFWFLSA-N 2 2 339.443 1.553 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000641449299 451987940 /nfs/dbraw/zinc/98/79/40/451987940.db2.gz JYWOOTMSYBYLKC-UHFFFAOYSA-N 2 2 335.473 1.143 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000641449299 451987945 /nfs/dbraw/zinc/98/79/45/451987945.db2.gz JYWOOTMSYBYLKC-UHFFFAOYSA-N 2 2 335.473 1.143 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649320050 451997488 /nfs/dbraw/zinc/99/74/88/451997488.db2.gz LCNRMPRVHHIVPB-VIFPVBQESA-N 2 2 340.296 1.649 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)O1 ZINC000637655127 452000455 /nfs/dbraw/zinc/00/04/55/452000455.db2.gz NUNLZRRVRCKOSW-SRABZTEZSA-N 2 2 338.496 1.362 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)O1 ZINC000637655127 452000458 /nfs/dbraw/zinc/00/04/58/452000458.db2.gz NUNLZRRVRCKOSW-SRABZTEZSA-N 2 2 338.496 1.362 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)COC3(C)C[NH2+]C3)CC2)c1 ZINC000649322146 452002387 /nfs/dbraw/zinc/00/23/87/452002387.db2.gz BDUDBHMERXRHEU-OAHLLOKOSA-N 2 2 347.459 1.279 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000639662743 452006720 /nfs/dbraw/zinc/00/67/20/452006720.db2.gz NHSSYBVKBNYSMB-MRXNPFEDSA-N 2 2 334.460 1.899 20 0 EDADLP O[C@@]1(C[N@@H+]2CCC[C@H](n3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639678675 452018070 /nfs/dbraw/zinc/01/80/70/452018070.db2.gz SRDPSHGDZLLOKN-RBUKOAKNSA-N 2 2 341.459 1.552 20 0 EDADLP O[C@@]1(C[N@H+]2CCC[C@H](n3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639678675 452018075 /nfs/dbraw/zinc/01/80/75/452018075.db2.gz SRDPSHGDZLLOKN-RBUKOAKNSA-N 2 2 341.459 1.552 20 0 EDADLP O[C@@]1(C[NH+]2CCC[C@H](n3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639678675 452018083 /nfs/dbraw/zinc/01/80/83/452018083.db2.gz SRDPSHGDZLLOKN-RBUKOAKNSA-N 2 2 341.459 1.552 20 0 EDADLP O[C@@]1(C[NH+]2CCC[C@H](n3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639678675 452018089 /nfs/dbraw/zinc/01/80/89/452018089.db2.gz SRDPSHGDZLLOKN-RBUKOAKNSA-N 2 2 341.459 1.552 20 0 EDADLP Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682619 452021493 /nfs/dbraw/zinc/02/14/93/452021493.db2.gz ZRTDFVIATZUFBY-UHFFFAOYSA-N 2 2 328.420 1.572 20 0 EDADLP Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682619 452021496 /nfs/dbraw/zinc/02/14/96/452021496.db2.gz ZRTDFVIATZUFBY-UHFFFAOYSA-N 2 2 328.420 1.572 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)[C@H]1C ZINC000643080944 452035455 /nfs/dbraw/zinc/03/54/55/452035455.db2.gz OCNKSEYRLOFSDJ-OHFALNGGSA-N 2 2 348.495 1.315 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)[C@H]1C ZINC000643080944 452035465 /nfs/dbraw/zinc/03/54/65/452035465.db2.gz OCNKSEYRLOFSDJ-OHFALNGGSA-N 2 2 348.495 1.315 20 0 EDADLP C[NH+](C)CC(C)(C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641528062 452058958 /nfs/dbraw/zinc/05/89/58/452058958.db2.gz APLASZAIDNTNRN-UHFFFAOYSA-N 2 2 325.478 1.293 20 0 EDADLP C[NH+](C)CC(C)(C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641528062 452058961 /nfs/dbraw/zinc/05/89/61/452058961.db2.gz APLASZAIDNTNRN-UHFFFAOYSA-N 2 2 325.478 1.293 20 0 EDADLP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393450 452063383 /nfs/dbraw/zinc/06/33/83/452063383.db2.gz PYOWTQJXXCWYNT-ATZDWAIDSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393450 452063389 /nfs/dbraw/zinc/06/33/89/452063389.db2.gz PYOWTQJXXCWYNT-ATZDWAIDSA-N 2 2 345.487 1.565 20 0 EDADLP COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000653661863 452065024 /nfs/dbraw/zinc/06/50/24/452065024.db2.gz GXINNAMCXUYJBZ-UHFFFAOYSA-N 2 2 335.448 1.968 20 0 EDADLP CN1CC[NH+](Cc2cccc(-c3nc([C@H]4CCC[NH2+]4)no3)c2)CC1 ZINC000647151425 452091285 /nfs/dbraw/zinc/09/12/85/452091285.db2.gz FXKZHZGEGDRQDZ-MRXNPFEDSA-N 2 2 327.432 1.909 20 0 EDADLP Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc(-c2ccncc2)[nH+]1 ZINC000649460653 452093553 /nfs/dbraw/zinc/09/35/53/452093553.db2.gz HOWDZDQHHXPVCV-IYBDPMFKSA-N 2 2 325.416 1.544 20 0 EDADLP Cc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc(-c2ccncc2)[nH+]1 ZINC000649460653 452093556 /nfs/dbraw/zinc/09/35/56/452093556.db2.gz HOWDZDQHHXPVCV-IYBDPMFKSA-N 2 2 325.416 1.544 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000639763250 452103956 /nfs/dbraw/zinc/10/39/56/452103956.db2.gz PIRDBRYOMXEKEV-FQEVSTJZSA-N 3 2 347.503 1.407 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000639763250 452103960 /nfs/dbraw/zinc/10/39/60/452103960.db2.gz PIRDBRYOMXEKEV-FQEVSTJZSA-N 3 2 347.503 1.407 20 0 EDADLP COc1ncncc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000647172920 452105601 /nfs/dbraw/zinc/10/56/01/452105601.db2.gz PJEPJIHTKLIFOH-UHFFFAOYSA-N 2 2 341.459 1.522 20 0 EDADLP COc1ncncc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000647172920 452105607 /nfs/dbraw/zinc/10/56/07/452105607.db2.gz PJEPJIHTKLIFOH-UHFFFAOYSA-N 2 2 341.459 1.522 20 0 EDADLP C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)C[NH+]1CCCCC1 ZINC000647172943 452105632 /nfs/dbraw/zinc/10/56/32/452105632.db2.gz QFFBEKVTKOKLDZ-CYBMUJFWSA-N 2 2 343.468 1.685 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647193103 452119248 /nfs/dbraw/zinc/11/92/48/452119248.db2.gz KTIQYTHZIAUZGI-ROUUACIJSA-N 2 2 341.459 1.735 20 0 EDADLP CC(C)O[C@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1 ZINC000649685122 452197444 /nfs/dbraw/zinc/19/74/44/452197444.db2.gz PCDZKYZZUMXWNM-GOSISDBHSA-N 2 2 333.476 1.859 20 0 EDADLP CC(C)O[C@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1 ZINC000649685122 452197451 /nfs/dbraw/zinc/19/74/51/452197451.db2.gz PCDZKYZZUMXWNM-GOSISDBHSA-N 2 2 333.476 1.859 20 0 EDADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649744910 452224699 /nfs/dbraw/zinc/22/46/99/452224699.db2.gz RPRRLUDJDPVUCT-RBUKOAKNSA-N 2 2 333.476 1.280 20 0 EDADLP COC[C@@H]1C[C@@H](O)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649744910 452224705 /nfs/dbraw/zinc/22/47/05/452224705.db2.gz RPRRLUDJDPVUCT-RBUKOAKNSA-N 2 2 333.476 1.280 20 0 EDADLP COC1CC[NH+](CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000643460495 452233327 /nfs/dbraw/zinc/23/33/27/452233327.db2.gz ROJZCLNINKMPRR-AZUAARDMSA-N 3 2 345.487 1.943 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657455224 452259647 /nfs/dbraw/zinc/25/96/47/452259647.db2.gz REYVSWYRGYUWGF-UHFFFAOYSA-N 2 2 328.416 1.286 20 0 EDADLP COC[C@@H](CC(C)(C)C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787103 452260717 /nfs/dbraw/zinc/26/07/17/452260717.db2.gz TVXHGMMBILAEOS-ZWKOTPCHSA-N 2 2 341.540 1.824 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(CO)c1 ZINC000641787293 452260757 /nfs/dbraw/zinc/26/07/57/452260757.db2.gz UGGUXIYOGCOAQO-PXNSSMCTSA-N 2 2 347.503 1.626 20 0 EDADLP c1cc2c(c(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)c1)OCO2 ZINC000641789764 452266032 /nfs/dbraw/zinc/26/60/32/452266032.db2.gz UHRMPKYXWDLKOZ-QGZVFWFLSA-N 2 2 347.459 1.302 20 0 EDADLP C[C@]1(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC[NH2+]C1 ZINC000647538220 452272568 /nfs/dbraw/zinc/27/25/68/452272568.db2.gz JFQMCNSULWEMRV-SJORKVTESA-N 2 2 337.489 1.892 20 0 EDADLP C[C@]1(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC[NH2+]C1 ZINC000647538220 452272578 /nfs/dbraw/zinc/27/25/78/452272578.db2.gz JFQMCNSULWEMRV-SJORKVTESA-N 2 2 337.489 1.892 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641803926 452279394 /nfs/dbraw/zinc/27/93/94/452279394.db2.gz WDPBRGDBJCNAPB-ZWKOTPCHSA-N 3 2 344.503 1.355 20 0 EDADLP CCc1csc(CC2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)n1 ZINC000655492073 452291619 /nfs/dbraw/zinc/29/16/19/452291619.db2.gz QMZSHECWWOHMHL-HNNXBMFYSA-N 2 2 338.521 1.766 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@@H](C)[NH2+]C2CC2)c2[nH+]ccn2C)cc1 ZINC000645320352 452298105 /nfs/dbraw/zinc/29/81/05/452298105.db2.gz MTFSITQYEDIQMO-WBMJQRKESA-N 2 2 328.416 1.775 20 0 EDADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657573529 452342261 /nfs/dbraw/zinc/34/22/61/452342261.db2.gz PKMWNOGZOMGIEI-SFHVURJKSA-N 3 2 347.551 1.908 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638056808 452344459 /nfs/dbraw/zinc/34/44/59/452344459.db2.gz NMAZBMPGEVDLKV-CQSZACIVSA-N 2 2 345.365 1.496 20 0 EDADLP COC[C@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638059293 452348254 /nfs/dbraw/zinc/34/82/54/452348254.db2.gz YJDNJYGOLDVSLN-IBGZPJMESA-N 2 2 342.443 1.706 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000663623826 452359630 /nfs/dbraw/zinc/35/96/30/452359630.db2.gz HCIHUANRCVQQLO-KGLIPLIRSA-N 2 2 335.452 1.056 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000663623826 452359640 /nfs/dbraw/zinc/35/96/40/452359640.db2.gz HCIHUANRCVQQLO-KGLIPLIRSA-N 2 2 335.452 1.056 20 0 EDADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)c1 ZINC000638065826 452366377 /nfs/dbraw/zinc/36/63/77/452366377.db2.gz AVLXOSJSAPSHSO-CQSZACIVSA-N 2 2 332.448 1.287 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](C4CC4)[C@@H]3C3CC3)C2)CC1 ZINC000655552144 452369082 /nfs/dbraw/zinc/36/90/82/452369082.db2.gz PBVDOBKCWSRGDJ-UHOSZYNNSA-N 2 2 346.519 1.985 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H](C4CC4)[C@@H]3C3CC3)C2)CC1 ZINC000655552144 452369093 /nfs/dbraw/zinc/36/90/93/452369093.db2.gz PBVDOBKCWSRGDJ-UHOSZYNNSA-N 2 2 346.519 1.985 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000638070803 452377869 /nfs/dbraw/zinc/37/78/69/452377869.db2.gz AONMVVLRAJTBMS-ZWKOTPCHSA-N 2 2 332.492 1.246 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000638070803 452377882 /nfs/dbraw/zinc/37/78/82/452377882.db2.gz AONMVVLRAJTBMS-ZWKOTPCHSA-N 2 2 332.492 1.246 20 0 EDADLP C[N@H+](CCCc1c(F)cccc1F)CC(=O)N1CC[NH+](C)CC1 ZINC000640059497 452402248 /nfs/dbraw/zinc/40/22/48/452402248.db2.gz AOLQQIBDOCGMLB-UHFFFAOYSA-N 2 2 325.403 1.603 20 0 EDADLP C[N@@H+](CCCc1c(F)cccc1F)CC(=O)N1CC[NH+](C)CC1 ZINC000640059497 452402255 /nfs/dbraw/zinc/40/22/55/452402255.db2.gz AOLQQIBDOCGMLB-UHFFFAOYSA-N 2 2 325.403 1.603 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657652025 452423285 /nfs/dbraw/zinc/42/32/85/452423285.db2.gz YCHYDTZSQPDUMK-ZDUSSCGKSA-N 2 2 331.420 1.428 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657652025 452423290 /nfs/dbraw/zinc/42/32/90/452423290.db2.gz YCHYDTZSQPDUMK-ZDUSSCGKSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)c2c1C ZINC000647703929 452433518 /nfs/dbraw/zinc/43/35/18/452433518.db2.gz QUTLNVZHCYHAKY-CQSZACIVSA-N 2 2 342.447 1.223 20 0 EDADLP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)c2c1C ZINC000647709690 452444296 /nfs/dbraw/zinc/44/42/96/452444296.db2.gz COKZDGWOHVKIEU-CYBMUJFWSA-N 2 2 326.408 1.466 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)c[nH+]2)C[C@H](C)O1 ZINC000645509234 452477884 /nfs/dbraw/zinc/47/78/84/452477884.db2.gz DNVAUJRRXFXZSR-DVOMOZLQSA-N 2 2 332.448 1.309 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@H+]3C[C@H](C)OC[C@H]3C)cn2c1 ZINC000663762234 452490724 /nfs/dbraw/zinc/49/07/24/452490724.db2.gz HHQQLNKKPSUEPC-CABCVRRESA-N 2 2 345.447 1.551 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@@H+]3C[C@H](C)OC[C@H]3C)cn2c1 ZINC000663762234 452490733 /nfs/dbraw/zinc/49/07/33/452490733.db2.gz HHQQLNKKPSUEPC-CABCVRRESA-N 2 2 345.447 1.551 20 0 EDADLP CC1(O)CCN(c2cc(NCCCCn3cc[nH+]c3)[nH+]cn2)CC1 ZINC000663770907 452498867 /nfs/dbraw/zinc/49/88/67/452498867.db2.gz FTCKANZRUQCCKR-UHFFFAOYSA-N 2 2 330.436 1.917 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cccc2c1OCO2 ZINC000663773854 452502984 /nfs/dbraw/zinc/50/29/84/452502984.db2.gz SDHQZOWVLWXCEE-UHFFFAOYSA-N 2 2 336.436 1.098 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cccc2c1OCO2 ZINC000663773854 452502994 /nfs/dbraw/zinc/50/29/94/452502994.db2.gz SDHQZOWVLWXCEE-UHFFFAOYSA-N 2 2 336.436 1.098 20 0 EDADLP CCNC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655691845 452512867 /nfs/dbraw/zinc/51/28/67/452512867.db2.gz XQRWVBJHVMHLSE-SFHVURJKSA-N 2 2 331.460 1.779 20 0 EDADLP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C[NH+]2CCOCC2)c1 ZINC000647784399 452520969 /nfs/dbraw/zinc/52/09/69/452520969.db2.gz SPNSRVPUPKMPGT-VAMGGRTRSA-N 3 2 329.488 1.997 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000663791434 452522552 /nfs/dbraw/zinc/52/25/52/452522552.db2.gz JWAXDUFDCYOORE-TWMKSMIVSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000663791434 452522561 /nfs/dbraw/zinc/52/25/61/452522561.db2.gz JWAXDUFDCYOORE-TWMKSMIVSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000663791434 452522567 /nfs/dbraw/zinc/52/25/67/452522567.db2.gz JWAXDUFDCYOORE-TWMKSMIVSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000663791434 452522573 /nfs/dbraw/zinc/52/25/73/452522573.db2.gz JWAXDUFDCYOORE-TWMKSMIVSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1c[nH+]ccc1N ZINC000647801197 452534000 /nfs/dbraw/zinc/53/40/00/452534000.db2.gz QSNXMTYMCKOFHA-NEPJUHHUSA-N 2 2 333.413 1.380 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NCCOc2c(C)cccc2C)C[C@H]1C[NH3+] ZINC000652356911 452535335 /nfs/dbraw/zinc/53/53/35/452535335.db2.gz PLFFQVLLECBKES-IAGOWNOFSA-N 2 2 349.475 1.094 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCOc2c(C)cccc2C)C[C@H]1C[NH3+] ZINC000652356911 452535345 /nfs/dbraw/zinc/53/53/45/452535345.db2.gz PLFFQVLLECBKES-IAGOWNOFSA-N 2 2 349.475 1.094 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)cc2[nH+]1 ZINC000657806649 452543139 /nfs/dbraw/zinc/54/31/39/452543139.db2.gz PYKJMQFBFPOTSE-UHFFFAOYSA-N 2 2 345.447 1.627 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH+]3CCC(C[NH3+])CC3)n12 ZINC000647812203 452543476 /nfs/dbraw/zinc/54/34/76/452543476.db2.gz KQUCBQPMOKKVAE-UHFFFAOYSA-N 2 2 340.431 1.060 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814646 452544089 /nfs/dbraw/zinc/54/40/89/452544089.db2.gz XNSAFBHECQCSMD-UHFFFAOYSA-N 2 2 337.489 1.653 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814646 452544099 /nfs/dbraw/zinc/54/40/99/452544099.db2.gz XNSAFBHECQCSMD-UHFFFAOYSA-N 2 2 337.489 1.653 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000647821151 452552892 /nfs/dbraw/zinc/55/28/92/452552892.db2.gz CJZHGYILSPLWNP-HOTGVXAUSA-N 2 2 328.416 1.198 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000647821151 452552900 /nfs/dbraw/zinc/55/29/00/452552900.db2.gz CJZHGYILSPLWNP-HOTGVXAUSA-N 2 2 328.416 1.198 20 0 EDADLP Cc1cccnc1CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370766 452559896 /nfs/dbraw/zinc/55/98/96/452559896.db2.gz ODHLDWUAFOFSMK-INIZCTEOSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1cccnc1CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370766 452559904 /nfs/dbraw/zinc/55/99/04/452559904.db2.gz ODHLDWUAFOFSMK-INIZCTEOSA-N 2 2 345.491 1.400 20 0 EDADLP C[NH2+]CC1CC[NH+](Cc2nnc3n2c2ccccc2c(=O)n3C)CC1 ZINC000647837706 452575092 /nfs/dbraw/zinc/57/50/92/452575092.db2.gz QOCUOYOBKILUKQ-UHFFFAOYSA-N 2 2 340.431 1.013 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000663849527 452575400 /nfs/dbraw/zinc/57/54/00/452575400.db2.gz SEXQVRGYQKOMNH-KRWDZBQOSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000663849527 452575408 /nfs/dbraw/zinc/57/54/08/452575408.db2.gz SEXQVRGYQKOMNH-KRWDZBQOSA-N 3 2 341.544 1.290 20 0 EDADLP Cc1cc(N2CC(C[NH+]3CCOCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000647843378 452577774 /nfs/dbraw/zinc/57/77/74/452577774.db2.gz KQDBPZPQRRHFMN-UHFFFAOYSA-N 2 2 325.416 1.615 20 0 EDADLP Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])c(=O)n(-c2ccccc2)n1C ZINC000647850116 452581985 /nfs/dbraw/zinc/58/19/85/452581985.db2.gz FSUAZPYCRSKHGT-CQSZACIVSA-N 2 2 345.447 1.092 20 0 EDADLP Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])c(=O)n(-c2ccccc2)n1C ZINC000647850116 452581992 /nfs/dbraw/zinc/58/19/92/452581992.db2.gz FSUAZPYCRSKHGT-CQSZACIVSA-N 2 2 345.447 1.092 20 0 EDADLP Cc1cc(F)c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000643764386 452606769 /nfs/dbraw/zinc/60/67/69/452606769.db2.gz WNAQJNGBFRNDOO-OAHLLOKOSA-N 2 2 339.430 1.769 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853570 452631141 /nfs/dbraw/zinc/63/11/41/452631141.db2.gz VILIGTJUPWBKBX-IKGGRYGDSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853570 452631146 /nfs/dbraw/zinc/63/11/46/452631146.db2.gz VILIGTJUPWBKBX-IKGGRYGDSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899232 452641051 /nfs/dbraw/zinc/64/10/51/452641051.db2.gz DRHUKHQODMFNFL-KMFMINBZSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899232 452641059 /nfs/dbraw/zinc/64/10/59/452641059.db2.gz DRHUKHQODMFNFL-KMFMINBZSA-N 2 2 344.459 1.577 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnn(-c2ccccc2)c1 ZINC000666155644 452650948 /nfs/dbraw/zinc/65/09/48/452650948.db2.gz GPWGMYSPVKYYMQ-UHFFFAOYSA-N 2 2 344.463 1.877 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnn(-c2ccccc2)c1 ZINC000666155644 452650951 /nfs/dbraw/zinc/65/09/51/452650951.db2.gz GPWGMYSPVKYYMQ-UHFFFAOYSA-N 2 2 344.463 1.877 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000647938571 452678773 /nfs/dbraw/zinc/67/87/73/452678773.db2.gz PXXZDYKUXFRDRW-CZUORRHYSA-N 2 2 332.448 1.386 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000647938571 452678780 /nfs/dbraw/zinc/67/87/80/452678780.db2.gz PXXZDYKUXFRDRW-CZUORRHYSA-N 2 2 332.448 1.386 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)CC[C@@H]1[NH3+] ZINC000647940021 452683031 /nfs/dbraw/zinc/68/30/31/452683031.db2.gz KDJBEZDYMYMAGN-ZBFHGGJFSA-N 2 2 349.475 1.721 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)CC[C@@H]1[NH3+] ZINC000647940021 452683038 /nfs/dbraw/zinc/68/30/38/452683038.db2.gz KDJBEZDYMYMAGN-ZBFHGGJFSA-N 2 2 349.475 1.721 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659814352 452704029 /nfs/dbraw/zinc/70/40/29/452704029.db2.gz NBXXINILXOMTJJ-BBWFWOEESA-N 2 2 336.524 1.249 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659814352 452704041 /nfs/dbraw/zinc/70/40/41/452704041.db2.gz NBXXINILXOMTJJ-BBWFWOEESA-N 2 2 336.524 1.249 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000647968971 452712719 /nfs/dbraw/zinc/71/27/19/452712719.db2.gz FBODUDJNVGWPQM-HUUCEWRRSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000647968971 452712731 /nfs/dbraw/zinc/71/27/31/452712731.db2.gz FBODUDJNVGWPQM-HUUCEWRRSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000647968971 452712739 /nfs/dbraw/zinc/71/27/39/452712739.db2.gz FBODUDJNVGWPQM-HUUCEWRRSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000647968971 452712749 /nfs/dbraw/zinc/71/27/49/452712749.db2.gz FBODUDJNVGWPQM-HUUCEWRRSA-N 2 2 342.867 1.732 20 0 EDADLP CC(C)c1nc(N2CCC([N@@H+]3CCCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000664012524 452713966 /nfs/dbraw/zinc/71/39/66/452713966.db2.gz ZZDQDMZINQYSAY-UHFFFAOYSA-N 2 2 348.495 1.752 20 0 EDADLP CC(C)c1nc(N2CCC([N@H+]3CCCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000664012524 452713973 /nfs/dbraw/zinc/71/39/73/452713973.db2.gz ZZDQDMZINQYSAY-UHFFFAOYSA-N 2 2 348.495 1.752 20 0 EDADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)O1 ZINC000658217553 452792274 /nfs/dbraw/zinc/79/22/74/452792274.db2.gz FPFWWJTYBTVOJW-AEFFLSMTSA-N 2 2 325.497 1.330 20 0 EDADLP C[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)O1 ZINC000658217553 452792284 /nfs/dbraw/zinc/79/22/84/452792284.db2.gz FPFWWJTYBTVOJW-AEFFLSMTSA-N 2 2 325.497 1.330 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000658295392 452836491 /nfs/dbraw/zinc/83/64/91/452836491.db2.gz SBVJVXOLGVIBAV-KDOFPFPSSA-N 2 2 342.447 1.566 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000662100003 452842309 /nfs/dbraw/zinc/84/23/09/452842309.db2.gz NFZVEWGMOKDHFC-HUUCEWRRSA-N 2 2 337.468 1.623 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3([NH+](C)C)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000666435092 452869119 /nfs/dbraw/zinc/86/91/19/452869119.db2.gz JVBXVJJBSUPXHT-ZIAGYGMSSA-N 2 2 332.448 1.406 20 0 EDADLP O[C@@H](COCc1cccs1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153589 452888187 /nfs/dbraw/zinc/88/81/87/452888187.db2.gz ADTIYJZDSSVSHL-JKSUJKDBSA-N 2 2 340.489 1.157 20 0 EDADLP O[C@@H](COCc1cccs1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153589 452888192 /nfs/dbraw/zinc/88/81/92/452888192.db2.gz ADTIYJZDSSVSHL-JKSUJKDBSA-N 2 2 340.489 1.157 20 0 EDADLP CC(C)(C)CN1CCC[C@@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662152883 452889761 /nfs/dbraw/zinc/88/97/61/452889761.db2.gz ISCFBIUPPVNXTD-IAGOWNOFSA-N 2 2 337.508 1.555 20 0 EDADLP CC(C)(C)CN1CCC[C@@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662152883 452889769 /nfs/dbraw/zinc/88/97/69/452889769.db2.gz ISCFBIUPPVNXTD-IAGOWNOFSA-N 2 2 337.508 1.555 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000648201344 452907034 /nfs/dbraw/zinc/90/70/34/452907034.db2.gz IESTYXZSYHTZMP-INIZCTEOSA-N 2 2 347.507 1.672 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)ccn12 ZINC000654795342 452928955 /nfs/dbraw/zinc/92/89/55/452928955.db2.gz FXBOUJLQHWZVTL-KRWDZBQOSA-N 2 2 341.459 1.495 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)ccn12 ZINC000654795342 452928962 /nfs/dbraw/zinc/92/89/62/452928962.db2.gz FXBOUJLQHWZVTL-KRWDZBQOSA-N 2 2 341.459 1.495 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000654808295 452939767 /nfs/dbraw/zinc/93/97/67/452939767.db2.gz YQCOVQRHABCRFD-IAGOWNOFSA-N 2 2 345.491 1.049 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2cc3c(cc2OC(F)F)OCO3)C[C@H]1C[NH3+] ZINC000650714608 452947170 /nfs/dbraw/zinc/94/71/70/452947170.db2.gz RSYGUBLRWPUBSR-IAQYHMDHSA-N 2 2 344.358 1.812 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2cc3c(cc2OC(F)F)OCO3)C[C@H]1C[NH3+] ZINC000650714608 452947177 /nfs/dbraw/zinc/94/71/77/452947177.db2.gz RSYGUBLRWPUBSR-IAQYHMDHSA-N 2 2 344.358 1.812 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C2CC2)cc1 ZINC000658427462 452955398 /nfs/dbraw/zinc/95/53/98/452955398.db2.gz DNLKACYFKCQFFR-UHFFFAOYSA-N 2 2 346.475 1.502 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C2CC2)cc1 ZINC000658427462 452955406 /nfs/dbraw/zinc/95/54/06/452955406.db2.gz DNLKACYFKCQFFR-UHFFFAOYSA-N 2 2 346.475 1.502 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)CCN4)C2)CC1 ZINC000645978234 452965821 /nfs/dbraw/zinc/96/58/21/452965821.db2.gz YRHBGQSELUCQSZ-MRXNPFEDSA-N 2 2 328.460 1.553 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)CCN4)C2)CC1 ZINC000645978234 452965829 /nfs/dbraw/zinc/96/58/29/452965829.db2.gz YRHBGQSELUCQSZ-MRXNPFEDSA-N 2 2 328.460 1.553 20 0 EDADLP Clc1ccccc1OCC[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662261537 452990469 /nfs/dbraw/zinc/99/04/69/452990469.db2.gz ZPOCIRPXZPLSKU-OAHLLOKOSA-N 2 2 339.867 1.325 20 0 EDADLP CCN(CC)C(=O)C1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCCCC1 ZINC000660074353 452990593 /nfs/dbraw/zinc/99/05/93/452990593.db2.gz NBBUIHUCSSPKQK-INIZCTEOSA-N 2 2 327.513 1.848 20 0 EDADLP CCN(CC)C(=O)C1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCCCC1 ZINC000660074353 452990601 /nfs/dbraw/zinc/99/06/01/452990601.db2.gz NBBUIHUCSSPKQK-INIZCTEOSA-N 2 2 327.513 1.848 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662260961 452990829 /nfs/dbraw/zinc/99/08/29/452990829.db2.gz DLZQXAJXHNONHU-APWZRJJASA-N 2 2 345.487 1.895 20 0 EDADLP Cn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000656256523 452991153 /nfs/dbraw/zinc/99/11/53/452991153.db2.gz UJVQAAPJYUANAJ-FGTMMUONSA-N 2 2 334.464 1.483 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662276623 453002319 /nfs/dbraw/zinc/00/23/19/453002319.db2.gz KLNHCPKIZUXBSI-UHFFFAOYSA-N 3 2 325.460 1.384 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000664330031 453004885 /nfs/dbraw/zinc/00/48/85/453004885.db2.gz IIGKWXDKNKKPOD-LSDHHAIUSA-N 2 2 334.464 1.979 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000664330031 453004894 /nfs/dbraw/zinc/00/48/94/453004894.db2.gz IIGKWXDKNKKPOD-LSDHHAIUSA-N 2 2 334.464 1.979 20 0 EDADLP c1nnn(-c2ccccc2)c1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656281468 453006501 /nfs/dbraw/zinc/00/65/01/453006501.db2.gz ZDUQJMQEHWBVMJ-KRWDZBQOSA-N 2 2 341.459 1.954 20 0 EDADLP c1nnn(-c2ccccc2)c1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656281468 453006510 /nfs/dbraw/zinc/00/65/10/453006510.db2.gz ZDUQJMQEHWBVMJ-KRWDZBQOSA-N 2 2 341.459 1.954 20 0 EDADLP OCC1([NH2+]Cc2cncc(OCc3ccccc3)c2)CC[NH2+]CC1 ZINC000662284626 453010033 /nfs/dbraw/zinc/01/00/33/453010033.db2.gz NUVNWPLHZDCLGR-UHFFFAOYSA-N 2 2 327.428 1.865 20 0 EDADLP CC[C@@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000662286088 453010292 /nfs/dbraw/zinc/01/02/92/453010292.db2.gz USUNCCRGLWGJBS-OAHLLOKOSA-N 2 2 339.867 1.611 20 0 EDADLP COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000648370375 453039809 /nfs/dbraw/zinc/03/98/09/453039809.db2.gz BSMRLYOYNWJGQY-SFHVURJKSA-N 2 2 333.476 1.452 20 0 EDADLP COc1cc(C)ccc1C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000648370375 453039820 /nfs/dbraw/zinc/03/98/20/453039820.db2.gz BSMRLYOYNWJGQY-SFHVURJKSA-N 2 2 333.476 1.452 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](Cc2ccccc2)C1 ZINC000652883070 453041324 /nfs/dbraw/zinc/04/13/24/453041324.db2.gz FZUKIZWMSDRHHE-MSOLQXFVSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](Cc2ccccc2)C1 ZINC000652883070 453041332 /nfs/dbraw/zinc/04/13/32/453041332.db2.gz FZUKIZWMSDRHHE-MSOLQXFVSA-N 2 2 338.455 1.831 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CCO1 ZINC000662326086 453042861 /nfs/dbraw/zinc/04/28/61/453042861.db2.gz NCMYNLITCXHQFR-ZWKOTPCHSA-N 2 2 349.450 1.974 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CCO1 ZINC000662326086 453042875 /nfs/dbraw/zinc/04/28/75/453042875.db2.gz NCMYNLITCXHQFR-ZWKOTPCHSA-N 2 2 349.450 1.974 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CCO1 ZINC000662325983 453042986 /nfs/dbraw/zinc/04/29/86/453042986.db2.gz NCMYNLITCXHQFR-MSOLQXFVSA-N 2 2 349.450 1.974 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CCO1 ZINC000662325983 453042993 /nfs/dbraw/zinc/04/29/93/453042993.db2.gz NCMYNLITCXHQFR-MSOLQXFVSA-N 2 2 349.450 1.974 20 0 EDADLP CN(C)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000660120154 453047831 /nfs/dbraw/zinc/04/78/31/453047831.db2.gz DKLOAJHIVWHEHY-INIZCTEOSA-N 2 2 331.464 1.062 20 0 EDADLP CN(C)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000660120154 453047837 /nfs/dbraw/zinc/04/78/37/453047837.db2.gz DKLOAJHIVWHEHY-INIZCTEOSA-N 2 2 331.464 1.062 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[NH+]1CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000650850652 453052492 /nfs/dbraw/zinc/05/24/92/453052492.db2.gz UNGNSLDEJKOCLG-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc4c(c3)NCC4)C2)CC1 ZINC000648446273 453089609 /nfs/dbraw/zinc/08/96/09/453089609.db2.gz VKDCYUGMHJXAAI-QGZVFWFLSA-N 2 2 342.487 1.482 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc4c(c3)NCC4)C2)CC1 ZINC000648446273 453089617 /nfs/dbraw/zinc/08/96/17/453089617.db2.gz VKDCYUGMHJXAAI-QGZVFWFLSA-N 2 2 342.487 1.482 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104649 453107541 /nfs/dbraw/zinc/10/75/41/453107541.db2.gz JRHRFVBRZFTBEZ-HNNXBMFYSA-N 2 2 347.459 1.819 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104649 453107547 /nfs/dbraw/zinc/10/75/47/453107547.db2.gz JRHRFVBRZFTBEZ-HNNXBMFYSA-N 2 2 347.459 1.819 20 0 EDADLP CC(C)[NH2+]CC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000662438280 453143689 /nfs/dbraw/zinc/14/36/89/453143689.db2.gz OREVGOBNEVDNHF-UHFFFAOYSA-N 2 2 349.866 1.630 20 0 EDADLP Cc1noc(C)c1[C@@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664511546 453153019 /nfs/dbraw/zinc/15/30/19/453153019.db2.gz NCKPGJNZAAYFSI-ZDUSSCGKSA-N 2 2 339.484 1.578 20 0 EDADLP Cc1noc(C)c1[C@@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664511546 453153023 /nfs/dbraw/zinc/15/30/23/453153023.db2.gz NCKPGJNZAAYFSI-ZDUSSCGKSA-N 2 2 339.484 1.578 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3[NH2+]CC3(C)C)CC2)cc(OC)c1 ZINC000646143532 453154203 /nfs/dbraw/zinc/15/42/03/453154203.db2.gz BYHXGEBVBLKNRT-QGZVFWFLSA-N 2 2 347.459 1.346 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000650987863 453165655 /nfs/dbraw/zinc/16/56/55/453165655.db2.gz KUZOPJLSTFDRCI-MRXNPFEDSA-N 2 2 333.480 1.937 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000650987863 453165663 /nfs/dbraw/zinc/16/56/63/453165663.db2.gz KUZOPJLSTFDRCI-MRXNPFEDSA-N 2 2 333.480 1.937 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)C1CCOCC1 ZINC000655068433 453191896 /nfs/dbraw/zinc/19/18/96/453191896.db2.gz STULLNCZUBUHQE-HOCLYGCPSA-N 2 2 334.464 1.827 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1Cc1cn([C@H]2CC[NH+](Cc3ccccc3)C2)nn1 ZINC000656456182 453197262 /nfs/dbraw/zinc/19/72/62/453197262.db2.gz SQHRJUODOIJWAE-OALUTQOASA-N 2 2 341.459 1.682 20 0 EDADLP OC[C@@H]1CCC[N@H+]1Cc1cn([C@H]2CC[NH+](Cc3ccccc3)C2)nn1 ZINC000656456182 453197270 /nfs/dbraw/zinc/19/72/70/453197270.db2.gz SQHRJUODOIJWAE-OALUTQOASA-N 2 2 341.459 1.682 20 0 EDADLP OC[C@@H]1CCC[NH+]1Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456182 453197277 /nfs/dbraw/zinc/19/72/77/453197277.db2.gz SQHRJUODOIJWAE-OALUTQOASA-N 2 2 341.459 1.682 20 0 EDADLP OC[C@@H]1CCC[NH+]1Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456182 453197286 /nfs/dbraw/zinc/19/72/86/453197286.db2.gz SQHRJUODOIJWAE-OALUTQOASA-N 2 2 341.459 1.682 20 0 EDADLP CO[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)[C@H]1CCOC1 ZINC000656472920 453206918 /nfs/dbraw/zinc/20/69/18/453206918.db2.gz RDOIYBYASQBZJP-SWLSCSKDSA-N 2 2 340.387 1.674 20 0 EDADLP Cn1ccnc1[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653061968 453238299 /nfs/dbraw/zinc/23/82/99/453238299.db2.gz HCFCWWIHEITZSU-GJZGRUSLSA-N 2 2 349.866 1.558 20 0 EDADLP c1ccc(C[N@H+]2CC[C@H]2CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000664630373 453267441 /nfs/dbraw/zinc/26/74/41/453267441.db2.gz CIULIJJAKXVPKP-KRWDZBQOSA-N 2 2 339.443 2.000 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@H]2CNc2cc(N3CCOCC3)[nH+]cn2)cc1 ZINC000664630373 453267449 /nfs/dbraw/zinc/26/74/49/453267449.db2.gz CIULIJJAKXVPKP-KRWDZBQOSA-N 2 2 339.443 2.000 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265050 453270170 /nfs/dbraw/zinc/27/01/70/453270170.db2.gz KFEYOMJCFOAALK-BFIPOCKSSA-N 2 2 344.459 1.309 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(OC[C@H]2CCOC2)c1 ZINC000653099285 453281184 /nfs/dbraw/zinc/28/11/84/453281184.db2.gz LHRKNEFLXPIDNW-RDJZCZTQSA-N 2 2 349.475 1.306 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000653112327 453297849 /nfs/dbraw/zinc/29/78/49/453297849.db2.gz VMYVTHHWTVBORS-GOSISDBHSA-N 3 2 332.492 1.933 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653116392 453303207 /nfs/dbraw/zinc/30/32/07/453303207.db2.gz FHYZXBFZGLXTJB-QZTJIDSGSA-N 2 2 343.471 1.870 20 0 EDADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653123137 453316231 /nfs/dbraw/zinc/31/62/31/453316231.db2.gz OXCHTBUWYCDTQV-QAPCUYQASA-N 3 2 348.491 1.625 20 0 EDADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653123137 453316233 /nfs/dbraw/zinc/31/62/33/453316233.db2.gz OXCHTBUWYCDTQV-QAPCUYQASA-N 3 2 348.491 1.625 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000651184907 453338245 /nfs/dbraw/zinc/33/82/45/453338245.db2.gz JSHHUFCGLULOSM-QGZVFWFLSA-N 2 2 346.454 1.649 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000651184907 453338252 /nfs/dbraw/zinc/33/82/52/453338252.db2.gz JSHHUFCGLULOSM-QGZVFWFLSA-N 2 2 346.454 1.649 20 0 EDADLP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c2)CC1 ZINC000653156284 453346086 /nfs/dbraw/zinc/34/60/86/453346086.db2.gz XBALYKVFBKXJKM-GOSISDBHSA-N 3 2 347.507 1.435 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000653155520 453346413 /nfs/dbraw/zinc/34/64/13/453346413.db2.gz XEZBGRPHVRAOQC-LBPRGKRZSA-N 2 2 347.385 1.344 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000653156544 453347656 /nfs/dbraw/zinc/34/76/56/453347656.db2.gz DXRKHUKZZUOZGS-LSDHHAIUSA-N 2 2 343.830 1.658 20 0 EDADLP CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@H]([NH3+])CC[NH+](C)C)no1 ZINC000653160074 453352945 /nfs/dbraw/zinc/35/29/45/453352945.db2.gz XDQHUNQDWXKLGT-KGLIPLIRSA-N 2 2 337.468 1.916 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccn3cc[nH+]c3c1)CCO2 ZINC000646391897 453362668 /nfs/dbraw/zinc/36/26/68/453362668.db2.gz FJOAWEWIFSPZSE-UHFFFAOYSA-N 2 2 329.404 1.663 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000646448513 453396510 /nfs/dbraw/zinc/39/65/10/453396510.db2.gz AUFCEFXADBBPBP-MSOLQXFVSA-N 2 2 340.427 1.808 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000646448513 453396521 /nfs/dbraw/zinc/39/65/21/453396521.db2.gz AUFCEFXADBBPBP-MSOLQXFVSA-N 2 2 340.427 1.808 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@]3(C)CC3(F)F)CC2)CC1 ZINC000660575494 453415070 /nfs/dbraw/zinc/41/50/70/453415070.db2.gz WAKJYULCGQMOLW-INIZCTEOSA-N 2 2 344.450 1.890 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000664896924 453469242 /nfs/dbraw/zinc/46/92/42/453469242.db2.gz PKIFSWBKTHNGHB-FUHWJXTLSA-N 2 2 347.507 1.052 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662745615 453475009 /nfs/dbraw/zinc/47/50/09/453475009.db2.gz WACURUHERQVJRY-UHFFFAOYSA-N 2 2 331.460 1.515 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)CC2 ZINC000651333918 453479116 /nfs/dbraw/zinc/47/91/16/453479116.db2.gz AYLSTJRHBMUQLN-KRWDZBQOSA-N 2 2 347.507 1.144 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)CC2 ZINC000651333918 453479124 /nfs/dbraw/zinc/47/91/24/453479124.db2.gz AYLSTJRHBMUQLN-KRWDZBQOSA-N 2 2 347.507 1.144 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652987 453491178 /nfs/dbraw/zinc/49/11/78/453491178.db2.gz NSDIUNDJKXIFMS-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652987 453491187 /nfs/dbraw/zinc/49/11/87/453491187.db2.gz NSDIUNDJKXIFMS-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652987 453491198 /nfs/dbraw/zinc/49/11/98/453491198.db2.gz NSDIUNDJKXIFMS-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660652987 453491204 /nfs/dbraw/zinc/49/12/04/453491204.db2.gz NSDIUNDJKXIFMS-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)nc12 ZINC000660656694 453491837 /nfs/dbraw/zinc/49/18/37/453491837.db2.gz NSLBECBVXLFBIE-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)nc12 ZINC000660656694 453491842 /nfs/dbraw/zinc/49/18/42/453491842.db2.gz NSLBECBVXLFBIE-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)nc12 ZINC000660656694 453491848 /nfs/dbraw/zinc/49/18/48/453491848.db2.gz NSLBECBVXLFBIE-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)nc12 ZINC000660656694 453491856 /nfs/dbraw/zinc/49/18/56/453491856.db2.gz NSLBECBVXLFBIE-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1(C)C ZINC000662760591 453498937 /nfs/dbraw/zinc/49/89/37/453498937.db2.gz XRHARAIQLBWYDF-GXTWGEPZSA-N 2 2 343.435 1.159 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655442454 453530226 /nfs/dbraw/zinc/53/02/26/453530226.db2.gz PZBANWAGMSHGGT-HBFSDRIKSA-N 2 2 343.471 1.393 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655442454 453530232 /nfs/dbraw/zinc/53/02/32/453530232.db2.gz PZBANWAGMSHGGT-HBFSDRIKSA-N 2 2 343.471 1.393 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cscn1 ZINC000660713217 453541644 /nfs/dbraw/zinc/54/16/44/453541644.db2.gz QAHDKRBYSWSFBG-STQMWFEESA-N 2 2 337.493 1.672 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cscn1 ZINC000660713217 453541645 /nfs/dbraw/zinc/54/16/45/453541645.db2.gz QAHDKRBYSWSFBG-STQMWFEESA-N 2 2 337.493 1.672 20 0 EDADLP CN(CC1=CCSC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660713621 453543082 /nfs/dbraw/zinc/54/30/82/453543082.db2.gz UVODSSPBADMLFB-OAHLLOKOSA-N 2 2 338.521 1.470 20 0 EDADLP CN(CC1=CCSC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660713621 453543086 /nfs/dbraw/zinc/54/30/86/453543086.db2.gz UVODSSPBADMLFB-OAHLLOKOSA-N 2 2 338.521 1.470 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c2[nH+]ccn21 ZINC000665047734 453553313 /nfs/dbraw/zinc/55/33/13/453553313.db2.gz OJWLJKSGHXOWTF-ILXRZTDVSA-N 2 2 335.452 1.641 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000658979521 453560898 /nfs/dbraw/zinc/56/08/98/453560898.db2.gz AZSVHYBMPBHEJH-UHFFFAOYSA-N 2 2 347.463 1.275 20 0 EDADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000662849010 453570094 /nfs/dbraw/zinc/57/00/94/453570094.db2.gz DQKIAACOXVROLW-AITUJVMLSA-N 2 2 343.471 1.486 20 0 EDADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000662849010 453570095 /nfs/dbraw/zinc/57/00/95/453570095.db2.gz DQKIAACOXVROLW-AITUJVMLSA-N 2 2 343.471 1.486 20 0 EDADLP O=C(C[C@H]1CC[NH2+]C1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662851028 453570712 /nfs/dbraw/zinc/57/07/12/453570712.db2.gz VEHMNYQHXVKOBS-KURKYZTESA-N 2 2 329.444 1.098 20 0 EDADLP O=C(C[C@H]1CC[NH2+]C1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662851028 453570717 /nfs/dbraw/zinc/57/07/17/453570717.db2.gz VEHMNYQHXVKOBS-KURKYZTESA-N 2 2 329.444 1.098 20 0 EDADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850140 453571170 /nfs/dbraw/zinc/57/11/70/453571170.db2.gz NWSRNXWZFONXTH-FGTMMUONSA-N 2 2 343.471 1.486 20 0 EDADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850140 453571173 /nfs/dbraw/zinc/57/11/73/453571173.db2.gz NWSRNXWZFONXTH-FGTMMUONSA-N 2 2 343.471 1.486 20 0 EDADLP O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659016969 453582073 /nfs/dbraw/zinc/58/20/73/453582073.db2.gz BUFZBAYJVHWMGD-OAHLLOKOSA-N 2 2 330.432 1.271 20 0 EDADLP Cc1cc(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc(C)[nH+]1 ZINC000665165588 453597619 /nfs/dbraw/zinc/59/76/19/453597619.db2.gz VQDQZGUVIYBJDQ-KRWDZBQOSA-N 2 2 334.464 1.951 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[C@H](C)CO1 ZINC000665270790 453631464 /nfs/dbraw/zinc/63/14/64/453631464.db2.gz AXFGCNLPUPFPFX-VQHPVUNQSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[C@H](C)CO1 ZINC000665270790 453631467 /nfs/dbraw/zinc/63/14/67/453631467.db2.gz AXFGCNLPUPFPFX-VQHPVUNQSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@H](C)CO1 ZINC000665270790 453631473 /nfs/dbraw/zinc/63/14/73/453631473.db2.gz AXFGCNLPUPFPFX-VQHPVUNQSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@H](C)CO1 ZINC000665270790 453631476 /nfs/dbraw/zinc/63/14/76/453631476.db2.gz AXFGCNLPUPFPFX-VQHPVUNQSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279749 453634198 /nfs/dbraw/zinc/63/41/98/453634198.db2.gz LFGMIXFUTCCHAT-CDWSIMAYSA-N 2 2 326.238 1.341 20 0 EDADLP COc1cc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc(OC)c1OC ZINC000665288966 453637283 /nfs/dbraw/zinc/63/72/83/453637283.db2.gz BULSWWXTMHPPGK-SNVBAGLBSA-N 2 2 348.403 1.518 20 0 EDADLP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291654 453638597 /nfs/dbraw/zinc/63/85/97/453638597.db2.gz HGKJMQLJQNBVBW-CZUORRHYSA-N 2 2 327.432 1.251 20 0 EDADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(-c2ccccc2)nn1C ZINC000665294748 453640172 /nfs/dbraw/zinc/64/01/72/453640172.db2.gz VRXFXWWAQDSHMS-GFCCVEGCSA-N 2 2 338.415 1.892 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000665357774 453665886 /nfs/dbraw/zinc/66/58/86/453665886.db2.gz VRIOJAVBBSVWRF-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000665357774 453665891 /nfs/dbraw/zinc/66/58/91/453665891.db2.gz VRIOJAVBBSVWRF-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[NH+]2CCOCC2)c1 ZINC000659293608 453705945 /nfs/dbraw/zinc/70/59/45/453705945.db2.gz WSZKJPOIBOYUGA-ZWKOTPCHSA-N 2 2 349.475 1.237 20 0 EDADLP c1cn(C[C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nn1 ZINC000661138385 453724449 /nfs/dbraw/zinc/72/44/49/453724449.db2.gz AYDJNCNPGXKLSA-IBGZPJMESA-N 2 2 341.459 1.632 20 0 EDADLP c1cn(C[C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nn1 ZINC000661138385 453724454 /nfs/dbraw/zinc/72/44/54/453724454.db2.gz AYDJNCNPGXKLSA-IBGZPJMESA-N 2 2 341.459 1.632 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665556529 453749304 /nfs/dbraw/zinc/74/93/04/453749304.db2.gz ZBFRXXQTGYEVJK-HNNXBMFYSA-N 2 2 348.495 1.120 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665556529 453749305 /nfs/dbraw/zinc/74/93/05/453749305.db2.gz ZBFRXXQTGYEVJK-HNNXBMFYSA-N 2 2 348.495 1.120 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663283689 453754587 /nfs/dbraw/zinc/75/45/87/453754587.db2.gz XELKJZHONQZSKM-GOSISDBHSA-N 2 2 333.476 1.986 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663283689 453754589 /nfs/dbraw/zinc/75/45/89/453754589.db2.gz XELKJZHONQZSKM-GOSISDBHSA-N 2 2 333.476 1.986 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657401865 453782364 /nfs/dbraw/zinc/78/23/64/453782364.db2.gz YTOIPCYHDSAMLP-OALUTQOASA-N 3 2 341.459 1.735 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657414740 453783744 /nfs/dbraw/zinc/78/37/44/453783744.db2.gz ASZMFFZQNRXBCP-KRWDZBQOSA-N 2 2 342.443 1.293 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000665690154 453789383 /nfs/dbraw/zinc/78/93/83/453789383.db2.gz IKAGGJVRGXIBAD-KBPBESRZSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC3CC[NH+](C4CC4)CC3)[nH+]cn2)C1 ZINC000665690154 453789387 /nfs/dbraw/zinc/78/93/87/453789387.db2.gz IKAGGJVRGXIBAD-KBPBESRZSA-N 2 2 331.464 1.722 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000661353658 453798195 /nfs/dbraw/zinc/79/81/95/453798195.db2.gz NULHITYNIQISPL-KRWDZBQOSA-N 2 2 341.459 1.907 20 0 EDADLP Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)[nH+]1 ZINC000676100378 486666615 /nfs/dbraw/zinc/66/66/15/486666615.db2.gz PANQQUNAAISMNK-UHFFFAOYSA-N 2 2 330.392 1.034 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676118941 486672346 /nfs/dbraw/zinc/67/23/46/486672346.db2.gz JKYQKCDWDVZZBJ-JKSUJKDBSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676118941 486672353 /nfs/dbraw/zinc/67/23/53/486672353.db2.gz JKYQKCDWDVZZBJ-JKSUJKDBSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676118941 486672355 /nfs/dbraw/zinc/67/23/55/486672355.db2.gz JKYQKCDWDVZZBJ-JKSUJKDBSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676118941 486672361 /nfs/dbraw/zinc/67/23/61/486672361.db2.gz JKYQKCDWDVZZBJ-JKSUJKDBSA-N 2 2 334.464 1.890 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000676242819 486702763 /nfs/dbraw/zinc/70/27/63/486702763.db2.gz AXEIZDMFXXOOCG-RHSMWYFYSA-N 2 2 332.448 1.021 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676242819 486702767 /nfs/dbraw/zinc/70/27/67/486702767.db2.gz AXEIZDMFXXOOCG-RHSMWYFYSA-N 2 2 332.448 1.021 20 0 EDADLP CC(=O)NCC[N@H+](CCC[NH3+])Cc1ccc(Br)s1 ZINC000414766706 486730867 /nfs/dbraw/zinc/73/08/67/486730867.db2.gz RMCSFYJATHMXEM-UHFFFAOYSA-N 2 2 334.283 1.798 20 0 EDADLP CC(=O)NCC[N@@H+](CCC[NH3+])Cc1ccc(Br)s1 ZINC000414766706 486730871 /nfs/dbraw/zinc/73/08/71/486730871.db2.gz RMCSFYJATHMXEM-UHFFFAOYSA-N 2 2 334.283 1.798 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000414957587 486734697 /nfs/dbraw/zinc/73/46/97/486734697.db2.gz QDNJUYVZKNYIIY-JKSUJKDBSA-N 2 2 332.448 1.910 20 0 EDADLP C[N@H+](CCN1CCCS1(=O)=O)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680328157 486751555 /nfs/dbraw/zinc/75/15/55/486751555.db2.gz DILHXUMONDDPRZ-UHFFFAOYSA-N 2 2 340.474 1.401 20 0 EDADLP C[N@@H+](CCN1CCCS1(=O)=O)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680328157 486751558 /nfs/dbraw/zinc/75/15/58/486751558.db2.gz DILHXUMONDDPRZ-UHFFFAOYSA-N 2 2 340.474 1.401 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCN2C1=O ZINC000680328760 486751678 /nfs/dbraw/zinc/75/16/78/486751678.db2.gz METFYVBTJPRWDX-AWEZNQCLSA-N 2 2 345.428 1.402 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCN2C1=O ZINC000680328760 486751684 /nfs/dbraw/zinc/75/16/84/486751684.db2.gz METFYVBTJPRWDX-AWEZNQCLSA-N 2 2 345.428 1.402 20 0 EDADLP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[C@H]1[NH3+] ZINC000667550774 486840935 /nfs/dbraw/zinc/84/09/35/486840935.db2.gz UGJZZSUOLBAUEO-TZMCWYRMSA-N 2 2 329.404 1.167 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000676692502 486843133 /nfs/dbraw/zinc/84/31/33/486843133.db2.gz WCLVPZQFHBMLQF-HOTGVXAUSA-N 2 2 332.448 1.159 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000676692502 486843137 /nfs/dbraw/zinc/84/31/37/486843137.db2.gz WCLVPZQFHBMLQF-HOTGVXAUSA-N 2 2 332.448 1.159 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)CC1 ZINC000676698752 486844407 /nfs/dbraw/zinc/84/44/07/486844407.db2.gz PNSRWBBUSUXXQD-LPHOPBHVSA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)CC1 ZINC000676698752 486844414 /nfs/dbraw/zinc/84/44/14/486844414.db2.gz PNSRWBBUSUXXQD-LPHOPBHVSA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000676698752 486844422 /nfs/dbraw/zinc/84/44/22/486844422.db2.gz PNSRWBBUSUXXQD-LPHOPBHVSA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000676698752 486844427 /nfs/dbraw/zinc/84/44/27/486844427.db2.gz PNSRWBBUSUXXQD-LPHOPBHVSA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc(-c2ccccn2)no1 ZINC000676716707 486853964 /nfs/dbraw/zinc/85/39/64/486853964.db2.gz CXPRSZRFXRIWOM-VNQPRFMTSA-N 2 2 343.431 1.815 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1nc(-c2ccccn2)no1 ZINC000676716707 486853970 /nfs/dbraw/zinc/85/39/70/486853970.db2.gz CXPRSZRFXRIWOM-VNQPRFMTSA-N 2 2 343.431 1.815 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667635194 486890541 /nfs/dbraw/zinc/89/05/41/486890541.db2.gz LECOSZSMGYQQMV-ZIAGYGMSSA-N 2 2 346.431 1.267 20 0 EDADLP CO[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000667642101 486895085 /nfs/dbraw/zinc/89/50/85/486895085.db2.gz OMECPUXYLLZJIE-SFHVURJKSA-N 2 2 337.508 1.866 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676843217 486900343 /nfs/dbraw/zinc/90/03/43/486900343.db2.gz PRQVDNPTZOIRKM-NVXWUHKLSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676843217 486900345 /nfs/dbraw/zinc/90/03/45/486900345.db2.gz PRQVDNPTZOIRKM-NVXWUHKLSA-N 2 2 345.491 1.072 20 0 EDADLP O=C(N1CC[NH+](Cc2cccs2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000320799879 486959813 /nfs/dbraw/zinc/95/98/13/486959813.db2.gz VKXIEKAFWYEIQP-CQSZACIVSA-N 2 2 347.406 1.934 20 0 EDADLP COC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681217353 486977285 /nfs/dbraw/zinc/97/72/85/486977285.db2.gz DEWGJWPNRHDGTD-DLBZAZTESA-N 2 2 340.512 1.467 20 0 EDADLP COC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681217353 486977288 /nfs/dbraw/zinc/97/72/88/486977288.db2.gz DEWGJWPNRHDGTD-DLBZAZTESA-N 2 2 340.512 1.467 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1Cc1ccccn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000673669143 487084435 /nfs/dbraw/zinc/08/44/35/487084435.db2.gz DVSGKSAZNOKHTE-MSOLQXFVSA-N 2 2 328.460 1.741 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1Cc1ccccn1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000673669143 487084437 /nfs/dbraw/zinc/08/44/37/487084437.db2.gz DVSGKSAZNOKHTE-MSOLQXFVSA-N 2 2 328.460 1.741 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000673669143 487084439 /nfs/dbraw/zinc/08/44/39/487084439.db2.gz DVSGKSAZNOKHTE-MSOLQXFVSA-N 2 2 328.460 1.741 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000673669143 487084442 /nfs/dbraw/zinc/08/44/42/487084442.db2.gz DVSGKSAZNOKHTE-MSOLQXFVSA-N 2 2 328.460 1.741 20 0 EDADLP CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000673741205 487104091 /nfs/dbraw/zinc/10/40/91/487104091.db2.gz TUSYJQBVORRRAY-MRXNPFEDSA-N 2 2 347.507 1.784 20 0 EDADLP CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000673741205 487104095 /nfs/dbraw/zinc/10/40/95/487104095.db2.gz TUSYJQBVORRRAY-MRXNPFEDSA-N 2 2 347.507 1.784 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC[NH+]3CCSCC3)[nH+]c12 ZINC000673774836 487110503 /nfs/dbraw/zinc/11/05/03/487110503.db2.gz HZSFJHHBVJZSAF-UHFFFAOYSA-N 2 2 347.488 1.533 20 0 EDADLP COCC1([N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000677728030 487159522 /nfs/dbraw/zinc/15/95/22/487159522.db2.gz NNKKMJJPZVVODR-UHFFFAOYSA-N 2 2 345.487 1.750 20 0 EDADLP COCC1([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000677728030 487159525 /nfs/dbraw/zinc/15/95/25/487159525.db2.gz NNKKMJJPZVVODR-UHFFFAOYSA-N 2 2 345.487 1.750 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H](C(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000677730315 487160820 /nfs/dbraw/zinc/16/08/20/487160820.db2.gz BQWLOKXRUJWXMP-CQSZACIVSA-N 2 2 338.402 1.707 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H](C(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000677730315 487160823 /nfs/dbraw/zinc/16/08/23/487160823.db2.gz BQWLOKXRUJWXMP-CQSZACIVSA-N 2 2 338.402 1.707 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677870734 487187375 /nfs/dbraw/zinc/18/73/75/487187375.db2.gz FMKFNCWEHOXLNS-QGZVFWFLSA-N 2 2 343.406 1.018 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677870734 487187379 /nfs/dbraw/zinc/18/73/79/487187379.db2.gz FMKFNCWEHOXLNS-QGZVFWFLSA-N 2 2 343.406 1.018 20 0 EDADLP CO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000674673966 487295842 /nfs/dbraw/zinc/29/58/42/487295842.db2.gz TVZNDAKIQDHUFJ-NUEKZKHPSA-N 2 2 338.496 1.268 20 0 EDADLP CO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000674673966 487295846 /nfs/dbraw/zinc/29/58/46/487295846.db2.gz TVZNDAKIQDHUFJ-NUEKZKHPSA-N 2 2 338.496 1.268 20 0 EDADLP CC(C)(CO)[NH+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000682084432 487299809 /nfs/dbraw/zinc/29/98/09/487299809.db2.gz JBTFCRGJNUXKTE-UHFFFAOYSA-N 2 2 328.460 1.820 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000678668963 487348900 /nfs/dbraw/zinc/34/89/00/487348900.db2.gz UDVCLRTYJJZPRG-HNNXBMFYSA-N 2 2 341.415 1.360 20 0 EDADLP CC(C)Oc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000675330343 487399023 /nfs/dbraw/zinc/39/90/23/487399023.db2.gz KEDGGJILVWASRA-INIZCTEOSA-N 2 2 346.475 1.767 20 0 EDADLP CC(C)Oc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000675330343 487399024 /nfs/dbraw/zinc/39/90/24/487399024.db2.gz KEDGGJILVWASRA-INIZCTEOSA-N 2 2 346.475 1.767 20 0 EDADLP CN(C(=O)C(C)(C)c1cccnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679233691 487404376 /nfs/dbraw/zinc/40/43/76/487404376.db2.gz VLPYEBKWWZLALC-SFHVURJKSA-N 2 2 344.503 1.986 20 0 EDADLP CN(C(=O)C(C)(C)c1cccnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679233691 487404377 /nfs/dbraw/zinc/40/43/77/487404377.db2.gz VLPYEBKWWZLALC-SFHVURJKSA-N 2 2 344.503 1.986 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000675781958 487443838 /nfs/dbraw/zinc/44/38/38/487443838.db2.gz IPTSPVWMGLNSIX-GFCCVEGCSA-N 2 2 325.840 1.773 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CCC([C@@H](C)[NH3+])CC3)[nH+]c12 ZINC000669512069 485477530 /nfs/dbraw/zinc/47/75/30/485477530.db2.gz UVFCCYVMTOFJPO-CQSZACIVSA-N 2 2 329.448 1.954 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000669542943 485528968 /nfs/dbraw/zinc/52/89/68/485528968.db2.gz UODCACADLWIYGU-JKSUJKDBSA-N 2 2 331.464 1.867 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000360027914 485709477 /nfs/dbraw/zinc/70/94/77/485709477.db2.gz PFMBRXFPIXEGAU-SFHVURJKSA-N 2 2 347.507 1.556 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000360027914 485709485 /nfs/dbraw/zinc/70/94/85/485709485.db2.gz PFMBRXFPIXEGAU-SFHVURJKSA-N 2 2 347.507 1.556 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000668610759 485945112 /nfs/dbraw/zinc/94/51/12/485945112.db2.gz GEUAMHRHZBZFBT-KURKYZTESA-N 2 2 346.475 1.457 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000668610759 485945118 /nfs/dbraw/zinc/94/51/18/485945118.db2.gz GEUAMHRHZBZFBT-KURKYZTESA-N 2 2 346.475 1.457 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237509710 485987380 /nfs/dbraw/zinc/98/73/80/485987380.db2.gz RMMDCLIAMSFSJO-RDJZCZTQSA-N 2 2 348.466 1.595 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC3([NH3+])CCC3)c[nH+]2)C[C@H](C)O1 ZINC000237660303 485996110 /nfs/dbraw/zinc/99/61/10/485996110.db2.gz XXHOBJXVIUEABH-OKILXGFUSA-N 2 2 332.448 1.583 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000668684101 486039736 /nfs/dbraw/zinc/03/97/36/486039736.db2.gz NQRMKUCCVCASDT-GUYCJALGSA-N 2 2 345.447 1.492 20 0 EDADLP CO[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000668690610 486051975 /nfs/dbraw/zinc/05/19/75/486051975.db2.gz VWGRWUAOJUOXSO-KRWDZBQOSA-N 2 2 325.497 1.676 20 0 EDADLP CO[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000668690610 486051982 /nfs/dbraw/zinc/05/19/82/486051982.db2.gz VWGRWUAOJUOXSO-KRWDZBQOSA-N 2 2 325.497 1.676 20 0 EDADLP COc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc2c1OCO2 ZINC000668785997 486193867 /nfs/dbraw/zinc/19/38/67/486193867.db2.gz SFKPUBKPEZVSLR-OAHLLOKOSA-N 2 2 336.432 1.967 20 0 EDADLP COc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc2c1OCO2 ZINC000668785997 486193872 /nfs/dbraw/zinc/19/38/72/486193872.db2.gz SFKPUBKPEZVSLR-OAHLLOKOSA-N 2 2 336.432 1.967 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669457173 486211252 /nfs/dbraw/zinc/21/12/52/486211252.db2.gz WEGFWJMLJORLLM-UHFFFAOYSA-N 2 2 332.448 1.200 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669457173 486211260 /nfs/dbraw/zinc/21/12/60/486211260.db2.gz WEGFWJMLJORLLM-UHFFFAOYSA-N 2 2 332.448 1.200 20 0 EDADLP CN(CCC[NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000669474450 486227893 /nfs/dbraw/zinc/22/78/93/486227893.db2.gz MFOIBKRGMHZUBC-CYBMUJFWSA-N 2 2 340.418 1.919 20 0 EDADLP CN(CCC[NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000669474450 486227899 /nfs/dbraw/zinc/22/78/99/486227899.db2.gz MFOIBKRGMHZUBC-CYBMUJFWSA-N 2 2 340.418 1.919 20 0 EDADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000672153281 486557406 /nfs/dbraw/zinc/55/74/06/486557406.db2.gz VJDMKIYTSGYNSF-NVXWUHKLSA-N 2 2 325.416 1.374 20 0 EDADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000672153281 486557409 /nfs/dbraw/zinc/55/74/09/486557409.db2.gz VJDMKIYTSGYNSF-NVXWUHKLSA-N 2 2 325.416 1.374 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000670504144 486598733 /nfs/dbraw/zinc/59/87/33/486598733.db2.gz VKMHYWKNSJGSMC-MRXNPFEDSA-N 2 2 349.479 1.282 20 0 EDADLP O=C1NCC[C@]12CCC[N@@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000516580255 486631169 /nfs/dbraw/zinc/63/11/69/486631169.db2.gz FGQFEZKQDIREIV-AZUAARDMSA-N 2 2 343.471 1.632 20 0 EDADLP O=C1NCC[C@]12CCC[N@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000516580255 486631171 /nfs/dbraw/zinc/63/11/71/486631171.db2.gz FGQFEZKQDIREIV-AZUAARDMSA-N 2 2 343.471 1.632 20 0 EDADLP O=C1NCC[C@]12CCC[NH+]2C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000516580255 486631174 /nfs/dbraw/zinc/63/11/74/486631174.db2.gz FGQFEZKQDIREIV-AZUAARDMSA-N 2 2 343.471 1.632 20 0 EDADLP O=C1NCC[C@]12CCC[NH+]2C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000516580255 486631175 /nfs/dbraw/zinc/63/11/75/486631175.db2.gz FGQFEZKQDIREIV-AZUAARDMSA-N 2 2 343.471 1.632 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000132976148 491218137 /nfs/dbraw/zinc/21/81/37/491218137.db2.gz ZRPCUJDOJKMIIU-CRAIPNDOSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCO1 ZINC000132976148 491218139 /nfs/dbraw/zinc/21/81/39/491218139.db2.gz ZRPCUJDOJKMIIU-CRAIPNDOSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000132976148 491218142 /nfs/dbraw/zinc/21/81/42/491218142.db2.gz ZRPCUJDOJKMIIU-CRAIPNDOSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000132976148 491218146 /nfs/dbraw/zinc/21/81/46/491218146.db2.gz ZRPCUJDOJKMIIU-CRAIPNDOSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000133770661 491222134 /nfs/dbraw/zinc/22/21/34/491222134.db2.gz MOIMGNNEHXYERQ-HOCLYGCPSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133770661 491222137 /nfs/dbraw/zinc/22/21/37/491222137.db2.gz MOIMGNNEHXYERQ-HOCLYGCPSA-N 2 2 347.463 1.069 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000128925015 491017778 /nfs/dbraw/zinc/01/77/78/491017778.db2.gz MAHMKMKLHFNIGX-QGZVFWFLSA-N 2 2 329.448 1.308 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCCCC3)C2=O)CCO1 ZINC000625562269 500766173 /nfs/dbraw/zinc/76/61/73/500766173.db2.gz HZSFMGZBIGCFGZ-QZTJIDSGSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)CCO1 ZINC000625562269 500766177 /nfs/dbraw/zinc/76/61/77/500766177.db2.gz HZSFMGZBIGCFGZ-QZTJIDSGSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnn(C)c3C(F)(F)F)C2)CC1 ZINC000154105738 529151284 /nfs/dbraw/zinc/15/12/84/529151284.db2.gz ANKAVZPTDCEWAS-CQSZACIVSA-N 2 2 345.413 1.651 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnn(C)c3C(F)(F)F)C2)CC1 ZINC000154105738 529151285 /nfs/dbraw/zinc/15/12/85/529151285.db2.gz ANKAVZPTDCEWAS-CQSZACIVSA-N 2 2 345.413 1.651 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)O[C@H](CO)C2)CC1 ZINC000347299162 534933737 /nfs/dbraw/zinc/93/37/37/534933737.db2.gz INRSCQBGPHVUCO-MJGOQNOKSA-N 2 2 347.503 1.800 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](C)O[C@H](CO)C2)CC1 ZINC000347299162 534933742 /nfs/dbraw/zinc/93/37/42/534933742.db2.gz INRSCQBGPHVUCO-MJGOQNOKSA-N 2 2 347.503 1.800 20 0 EDADLP CC(C)[C@@](C)(CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000352871785 535310353 /nfs/dbraw/zinc/31/03/53/535310353.db2.gz PNBRWKNYLYKWRQ-QGZVFWFLSA-N 2 2 339.505 1.389 20 0 EDADLP CCCc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000261699854 535523528 /nfs/dbraw/zinc/52/35/28/535523528.db2.gz OMWFMZPMTJGPQN-UONOGXRCSA-N 2 2 335.452 1.102 20 0 EDADLP CCCc1nc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000261699854 535523535 /nfs/dbraw/zinc/52/35/35/535523535.db2.gz OMWFMZPMTJGPQN-UONOGXRCSA-N 2 2 335.452 1.102 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)C3CC[NH2+]CC3)CCCC2)no1 ZINC000236942000 535612670 /nfs/dbraw/zinc/61/26/70/535612670.db2.gz JAIWECFIGGYBCV-UHFFFAOYSA-N 2 2 349.479 1.797 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)nc1 ZINC000346802600 535690460 /nfs/dbraw/zinc/69/04/60/535690460.db2.gz DGMQQRQDYXZVDI-DZGCQCFKSA-N 2 2 332.448 1.519 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nc1 ZINC000346802600 535690469 /nfs/dbraw/zinc/69/04/69/535690469.db2.gz DGMQQRQDYXZVDI-DZGCQCFKSA-N 2 2 332.448 1.519 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc4nc(C)cc(C)n34)C2)CC1 ZINC000093132992 535736791 /nfs/dbraw/zinc/73/67/91/535736791.db2.gz ODCSBHZRUQJNRV-QGZVFWFLSA-N 2 2 342.491 1.558 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4nc(C)cc(C)n34)C2)CC1 ZINC000093132992 535736800 /nfs/dbraw/zinc/73/68/00/535736800.db2.gz ODCSBHZRUQJNRV-QGZVFWFLSA-N 2 2 342.491 1.558 20 0 EDADLP C[NH+](C)CCN1CCC(NC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000339322213 535871136 /nfs/dbraw/zinc/87/11/36/535871136.db2.gz XJGYIQPDPYTBQK-UHFFFAOYSA-N 2 2 348.495 1.045 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC3CCN(C(N)=O)CC3)[nH+]c2)CC1 ZINC000344879024 536114591 /nfs/dbraw/zinc/11/45/91/536114591.db2.gz JKBCXKCTENNXGS-UHFFFAOYSA-N 2 2 346.479 1.567 20 0 EDADLP C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000124355450 536399885 /nfs/dbraw/zinc/39/98/85/536399885.db2.gz SQDACSKIZNJOHG-UHFFFAOYSA-N 2 2 344.459 1.037 20 0 EDADLP COCC1(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC[NH2+]CC1 ZINC000262333966 536803378 /nfs/dbraw/zinc/80/33/78/536803378.db2.gz FWYFWNIECABUHE-MRXNPFEDSA-N 2 2 346.475 1.303 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000726254576 578338448 /nfs/dbraw/zinc/33/84/48/578338448.db2.gz HAKOMAXOCKSIJM-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000726254576 578338449 /nfs/dbraw/zinc/33/84/49/578338449.db2.gz HAKOMAXOCKSIJM-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000726254576 578338450 /nfs/dbraw/zinc/33/84/50/578338450.db2.gz HAKOMAXOCKSIJM-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000726254576 578338451 /nfs/dbraw/zinc/33/84/51/578338451.db2.gz HAKOMAXOCKSIJM-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP COc1ccc([C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000726796499 578361594 /nfs/dbraw/zinc/36/15/94/578361594.db2.gz CCJXFSJAQQMGSF-ICSRJNTNSA-N 2 2 344.455 1.811 20 0 EDADLP COc1ccc([C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000726796499 578361595 /nfs/dbraw/zinc/36/15/95/578361595.db2.gz CCJXFSJAQQMGSF-ICSRJNTNSA-N 2 2 344.455 1.811 20 0 EDADLP CCOC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000726796623 578361666 /nfs/dbraw/zinc/36/16/66/578361666.db2.gz IDPVIFVGBRYCBA-ROUUACIJSA-N 2 2 349.475 1.690 20 0 EDADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000726796623 578361667 /nfs/dbraw/zinc/36/16/67/578361667.db2.gz IDPVIFVGBRYCBA-ROUUACIJSA-N 2 2 349.475 1.690 20 0 EDADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000726796623 578361668 /nfs/dbraw/zinc/36/16/68/578361668.db2.gz IDPVIFVGBRYCBA-ROUUACIJSA-N 2 2 349.475 1.690 20 0 EDADLP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000729460678 578576018 /nfs/dbraw/zinc/57/60/18/578576018.db2.gz ZNSURIVPKCRQAF-UHFFFAOYSA-N 2 2 345.487 1.832 20 0 EDADLP CC1(C)CN(C(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000729460678 578576019 /nfs/dbraw/zinc/57/60/19/578576019.db2.gz ZNSURIVPKCRQAF-UHFFFAOYSA-N 2 2 345.487 1.832 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)[nH+]c2c1 ZINC000729500882 578578573 /nfs/dbraw/zinc/57/85/73/578578573.db2.gz BFWATJGQPDIJEF-HOTGVXAUSA-N 2 2 343.431 1.305 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]c2c1 ZINC000729500882 578578574 /nfs/dbraw/zinc/57/85/74/578578574.db2.gz BFWATJGQPDIJEF-HOTGVXAUSA-N 2 2 343.431 1.305 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000729927264 578597992 /nfs/dbraw/zinc/59/79/92/578597992.db2.gz CLVXISCSYTZAEV-SJCJKPOMSA-N 2 2 328.403 1.775 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000729927264 578597994 /nfs/dbraw/zinc/59/79/94/578597994.db2.gz CLVXISCSYTZAEV-SJCJKPOMSA-N 2 2 328.403 1.775 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C[C@H](O)C[NH+]3CCCC3)CC2)oc1C ZINC000729929154 578604230 /nfs/dbraw/zinc/60/42/30/578604230.db2.gz FPMNVEIVGAHCGL-QGZVFWFLSA-N 2 2 336.480 1.256 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C[C@H](O)C[NH+]3CCCC3)CC2)oc1C ZINC000729929154 578604231 /nfs/dbraw/zinc/60/42/31/578604231.db2.gz FPMNVEIVGAHCGL-QGZVFWFLSA-N 2 2 336.480 1.256 20 0 EDADLP Cc1nc(CN2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)CC2)oc1C ZINC000729929154 578604232 /nfs/dbraw/zinc/60/42/32/578604232.db2.gz FPMNVEIVGAHCGL-QGZVFWFLSA-N 2 2 336.480 1.256 20 0 EDADLP Cc1nc(CN2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)CC2)oc1C ZINC000729929154 578604233 /nfs/dbraw/zinc/60/42/33/578604233.db2.gz FPMNVEIVGAHCGL-QGZVFWFLSA-N 2 2 336.480 1.256 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000745791071 579562678 /nfs/dbraw/zinc/56/26/78/579562678.db2.gz ICMKMDJYMQNJLT-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000745791071 579562679 /nfs/dbraw/zinc/56/26/79/579562679.db2.gz ICMKMDJYMQNJLT-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000745791071 579562680 /nfs/dbraw/zinc/56/26/80/579562680.db2.gz ICMKMDJYMQNJLT-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000745791071 579562681 /nfs/dbraw/zinc/56/26/81/579562681.db2.gz ICMKMDJYMQNJLT-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C(C)C ZINC000746417349 579592821 /nfs/dbraw/zinc/59/28/21/579592821.db2.gz NCVNRJWXSAQTEO-INIZCTEOSA-N 2 2 328.501 1.515 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C(C)C ZINC000746417349 579592823 /nfs/dbraw/zinc/59/28/23/579592823.db2.gz NCVNRJWXSAQTEO-INIZCTEOSA-N 2 2 328.501 1.515 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2ccon2)([NH+]2CCCCC2)CC1 ZINC000747586727 579650187 /nfs/dbraw/zinc/65/01/87/579650187.db2.gz NGSSSLNJNVSHQK-UHFFFAOYSA-N 2 2 335.452 1.424 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](c4ccccc4)C3=O)C2)CC1 ZINC000777652240 580447588 /nfs/dbraw/zinc/44/75/88/580447588.db2.gz JYCXSVVJBZQBBE-IRXDYDNUSA-N 2 2 342.443 1.448 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](c4ccccc4)C3=O)C2)CC1 ZINC000777652240 580447589 /nfs/dbraw/zinc/44/75/89/580447589.db2.gz JYCXSVVJBZQBBE-IRXDYDNUSA-N 2 2 342.443 1.448 20 0 EDADLP CCCCNC(=O)C1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000749369417 579723332 /nfs/dbraw/zinc/72/33/32/579723332.db2.gz UMJMLLOIYRODSQ-INIZCTEOSA-N 2 2 325.497 1.652 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)S1 ZINC000777803404 580450767 /nfs/dbraw/zinc/45/07/67/580450767.db2.gz CELNZEOABTUJRP-ZDUSSCGKSA-N 2 2 347.488 1.397 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H](C)C1 ZINC000750825493 579782626 /nfs/dbraw/zinc/78/26/26/579782626.db2.gz DICJZGHBTHZAKY-WBMJQRKESA-N 2 2 345.447 1.869 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H](C)C1 ZINC000750825493 579782627 /nfs/dbraw/zinc/78/26/27/579782627.db2.gz DICJZGHBTHZAKY-WBMJQRKESA-N 2 2 345.447 1.869 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H](C)C1 ZINC000750825493 579782629 /nfs/dbraw/zinc/78/26/29/579782629.db2.gz DICJZGHBTHZAKY-WBMJQRKESA-N 2 2 345.447 1.869 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H](C)C1 ZINC000750825493 579782630 /nfs/dbraw/zinc/78/26/30/579782630.db2.gz DICJZGHBTHZAKY-WBMJQRKESA-N 2 2 345.447 1.869 20 0 EDADLP C[C@H]1C[NH+]=C(N2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)S1 ZINC000750829082 579782934 /nfs/dbraw/zinc/78/29/34/579782934.db2.gz DYCMLKDIDBTDME-ZDUSSCGKSA-N 2 2 348.472 1.160 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000752076585 579837172 /nfs/dbraw/zinc/83/71/72/579837172.db2.gz ZGBBFOBQHOFEQT-BZSNNMDCSA-N 2 2 338.492 1.887 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000752076585 579837173 /nfs/dbraw/zinc/83/71/73/579837173.db2.gz ZGBBFOBQHOFEQT-BZSNNMDCSA-N 2 2 338.492 1.887 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCC1 ZINC000753078393 579871999 /nfs/dbraw/zinc/87/19/99/579871999.db2.gz KSTBWKGQMBKZTO-HZPDHXFCSA-N 2 2 331.464 1.834 20 0 EDADLP Cn1cc(Br)cc1C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000759019406 579996871 /nfs/dbraw/zinc/99/68/71/579996871.db2.gz LYCVWQAGFCFYCO-CQSZACIVSA-N 2 2 330.270 1.676 20 0 EDADLP Cn1cc(Br)cc1C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000759019406 579996872 /nfs/dbraw/zinc/99/68/72/579996872.db2.gz LYCVWQAGFCFYCO-CQSZACIVSA-N 2 2 330.270 1.676 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000778228982 580459266 /nfs/dbraw/zinc/45/92/66/580459266.db2.gz WBZHIIZFEIVEQQ-SFHVURJKSA-N 2 2 329.444 1.631 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000778228982 580459267 /nfs/dbraw/zinc/45/92/67/580459267.db2.gz WBZHIIZFEIVEQQ-SFHVURJKSA-N 2 2 329.444 1.631 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+]2CCC(c3ccncc3)CC2)C1 ZINC000762096475 580066705 /nfs/dbraw/zinc/06/67/05/580066705.db2.gz INBBAYLCLIGSHS-KRWDZBQOSA-N 2 2 339.443 1.968 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)OCCOC(=O)[C@H]1CCCC[N@H+]1CC ZINC000763692919 580104359 /nfs/dbraw/zinc/10/43/59/580104359.db2.gz QKBVSNCJDCTCAQ-IYBDPMFKSA-N 2 2 340.464 1.822 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)OCCOC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000763692919 580104360 /nfs/dbraw/zinc/10/43/60/580104360.db2.gz QKBVSNCJDCTCAQ-IYBDPMFKSA-N 2 2 340.464 1.822 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)OCCOC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000763692919 580104361 /nfs/dbraw/zinc/10/43/61/580104361.db2.gz QKBVSNCJDCTCAQ-IYBDPMFKSA-N 2 2 340.464 1.822 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)OCCOC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000763692919 580104362 /nfs/dbraw/zinc/10/43/62/580104362.db2.gz QKBVSNCJDCTCAQ-IYBDPMFKSA-N 2 2 340.464 1.822 20 0 EDADLP Cc1c([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000765416864 580141678 /nfs/dbraw/zinc/14/16/78/580141678.db2.gz NFNMJIVKVDLKQI-OAHLLOKOSA-N 2 2 341.459 1.605 20 0 EDADLP CN1CCC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1=O ZINC000766436549 580166896 /nfs/dbraw/zinc/16/68/96/580166896.db2.gz HQJIQPRGRJKXLW-GOSISDBHSA-N 2 2 330.476 1.932 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000768499560 580214728 /nfs/dbraw/zinc/21/47/28/580214728.db2.gz BBSFYCUWVPUYON-JFIYKMOQSA-N 2 2 328.460 1.771 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000768499560 580214729 /nfs/dbraw/zinc/21/47/29/580214729.db2.gz BBSFYCUWVPUYON-JFIYKMOQSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000768499560 580214730 /nfs/dbraw/zinc/21/47/30/580214730.db2.gz BBSFYCUWVPUYON-JFIYKMOQSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000768499560 580214731 /nfs/dbraw/zinc/21/47/31/580214731.db2.gz BBSFYCUWVPUYON-JFIYKMOQSA-N 2 2 328.460 1.771 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770414367 580259888 /nfs/dbraw/zinc/25/98/88/580259888.db2.gz AERNPPJWWNSCIX-HNNXBMFYSA-N 2 2 343.431 1.007 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770414367 580259889 /nfs/dbraw/zinc/25/98/89/580259889.db2.gz AERNPPJWWNSCIX-HNNXBMFYSA-N 2 2 343.431 1.007 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000779478224 580486822 /nfs/dbraw/zinc/48/68/22/580486822.db2.gz NBNHJSMSBQLNPZ-HNNXBMFYSA-N 2 2 339.480 1.507 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000779478224 580486823 /nfs/dbraw/zinc/48/68/23/580486823.db2.gz NBNHJSMSBQLNPZ-HNNXBMFYSA-N 2 2 339.480 1.507 20 0 EDADLP CC[C@H](CO)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000779822308 580498560 /nfs/dbraw/zinc/49/85/60/580498560.db2.gz NPSUFAAZVHHXCD-KBAYOESNSA-N 2 2 339.524 1.801 20 0 EDADLP CC[C@H](CO)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000779822308 580498561 /nfs/dbraw/zinc/49/85/61/580498561.db2.gz NPSUFAAZVHHXCD-KBAYOESNSA-N 2 2 339.524 1.801 20 0 EDADLP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000782082376 580565870 /nfs/dbraw/zinc/56/58/70/580565870.db2.gz DVEHARCTTCHCFC-CABCVRRESA-N 2 2 343.265 1.529 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000783984691 580610227 /nfs/dbraw/zinc/61/02/27/580610227.db2.gz OFWCHCBMRKFQET-KRWDZBQOSA-N 3 2 345.491 1.501 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)C1 ZINC000783994273 580611011 /nfs/dbraw/zinc/61/10/11/580611011.db2.gz QBTSTFHOFVDYRC-IXDOHACOSA-N 2 2 346.475 1.832 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)C1 ZINC000783994273 580611012 /nfs/dbraw/zinc/61/10/12/580611012.db2.gz QBTSTFHOFVDYRC-IXDOHACOSA-N 2 2 346.475 1.832 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)C1 ZINC000784039634 580612495 /nfs/dbraw/zinc/61/24/95/580612495.db2.gz XUFDSBBHFMESKA-CABCVRRESA-N 2 2 348.447 1.169 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)C1 ZINC000784039634 580612496 /nfs/dbraw/zinc/61/24/96/580612496.db2.gz XUFDSBBHFMESKA-CABCVRRESA-N 2 2 348.447 1.169 20 0 EDADLP C[NH+](C)C1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787705067 580702390 /nfs/dbraw/zinc/70/23/90/580702390.db2.gz JFAWQZCVPVVETP-QAPCUYQASA-N 2 2 341.496 1.773 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCO1 ZINC000788859136 580731269 /nfs/dbraw/zinc/73/12/69/580731269.db2.gz ZBOCAFYJZHTPCJ-CZUORRHYSA-N 2 2 342.399 1.875 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccnc3F)C2)CC1 ZINC000792952167 580831880 /nfs/dbraw/zinc/83/18/80/580831880.db2.gz GNHCUFWECRSHJJ-AWEZNQCLSA-N 2 2 335.427 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccnc3F)C2)CC1 ZINC000792952167 580831881 /nfs/dbraw/zinc/83/18/81/580831881.db2.gz GNHCUFWECRSHJJ-AWEZNQCLSA-N 2 2 335.427 1.188 20 0 EDADLP O=C(OCCC[NH+]1CCOCC1)[C@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000795607728 580930782 /nfs/dbraw/zinc/93/07/82/580930782.db2.gz NKDSDANSSOGIQJ-GOSISDBHSA-N 2 2 347.459 1.702 20 0 EDADLP O=C(OCCC[NH+]1CCOCC1)[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000795607728 580930783 /nfs/dbraw/zinc/93/07/83/580930783.db2.gz NKDSDANSSOGIQJ-GOSISDBHSA-N 2 2 347.459 1.702 20 0 EDADLP COCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)o1 ZINC000893113190 590668288 /nfs/dbraw/zinc/66/82/88/590668288.db2.gz GMCRVGAWPUBXLC-IRXDYDNUSA-N 2 2 338.448 1.772 20 0 EDADLP FC(F)(F)COCCC[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891987353 590729646 /nfs/dbraw/zinc/72/96/46/590729646.db2.gz XAYSFZSPRNBGRT-UHFFFAOYSA-N 2 2 343.353 1.820 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891348058 591053463 /nfs/dbraw/zinc/05/34/63/591053463.db2.gz NDMXOVUVCNAPBN-HNNXBMFYSA-N 2 2 347.463 1.106 20 0 EDADLP CN(C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CC([NH3+])C1 ZINC000892513745 591054566 /nfs/dbraw/zinc/05/45/66/591054566.db2.gz JQCVLRRDXQPWTL-UHFFFAOYSA-N 2 2 335.477 1.266 20 0 EDADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000892548951 591068484 /nfs/dbraw/zinc/06/84/84/591068484.db2.gz VCTUOFUYWBLPON-XDNAFOTISA-N 2 2 344.459 1.019 20 0 EDADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000892548951 591068489 /nfs/dbraw/zinc/06/84/89/591068489.db2.gz VCTUOFUYWBLPON-XDNAFOTISA-N 2 2 344.459 1.019 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891420451 591072155 /nfs/dbraw/zinc/07/21/55/591072155.db2.gz BHIVNNBPBFVMEP-NVXWUHKLSA-N 2 2 325.416 1.908 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nnc(C)s3)cn2)CC1 ZINC000892596217 591086985 /nfs/dbraw/zinc/08/69/85/591086985.db2.gz NXHAZPZNNNLFFA-UHFFFAOYSA-N 2 2 332.477 1.673 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000891526922 591107604 /nfs/dbraw/zinc/10/76/04/591107604.db2.gz GCZKNRFWPNODBO-YJBOKZPZSA-N 2 2 339.528 1.029 20 0 EDADLP COc1ccc2[nH+]cc(Cl)c(NCCN3CC[NH+](C)CC3)c2c1 ZINC000891619813 591152435 /nfs/dbraw/zinc/15/24/35/591152435.db2.gz IYAIOUOJRNAQIU-UHFFFAOYSA-N 2 2 334.851 1.978 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)C1(F)F ZINC000894001792 591164535 /nfs/dbraw/zinc/16/45/35/591164535.db2.gz MLWDRKDKVDQYFA-TZMCWYRMSA-N 2 2 341.358 1.267 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892767402 591168974 /nfs/dbraw/zinc/16/89/74/591168974.db2.gz BWAOFSGCDZSMFE-GJZGRUSLSA-N 2 2 347.463 1.078 20 0 EDADLP Cc1ccnc(N)c1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000894084551 591184284 /nfs/dbraw/zinc/18/42/84/591184284.db2.gz LMSBQPUNGJJNPG-UHFFFAOYSA-N 2 2 331.508 1.963 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC([NH2+]C2CCC2)CC1)[NH+]1CCOCC1 ZINC000892838332 591200508 /nfs/dbraw/zinc/20/05/08/591200508.db2.gz MLMLVHRPEUAREJ-LSDHHAIUSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](C[NH2+]Cc1nc(Br)nn1C)C[NH+]1CCCCC1 ZINC000894196460 591224327 /nfs/dbraw/zinc/22/43/27/591224327.db2.gz XCNZOJXXPAYOOJ-LLVKDONJSA-N 2 2 330.274 1.789 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[NH2+]CC1([NH+]3CCCC3)CCOCC1)OCCO2 ZINC000892928017 591228133 /nfs/dbraw/zinc/22/81/33/591228133.db2.gz DVAZOZWAAGIFHV-HZPDHXFCSA-N 2 2 342.455 1.855 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894207182 591229039 /nfs/dbraw/zinc/22/90/39/591229039.db2.gz SAUSOLCCOQWQND-UHFFFAOYSA-N 2 2 338.864 1.813 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1C[NH+](C2CCOCC2)C1 ZINC000895628966 591235376 /nfs/dbraw/zinc/23/53/76/591235376.db2.gz LGJTVYRYXTYYME-UHFFFAOYSA-N 2 2 344.459 1.409 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(c3nc(N)[nH+]c(C4CC4)n3)CC2)CC1 ZINC000892949494 591236626 /nfs/dbraw/zinc/23/66/26/591236626.db2.gz WMFYPFPIOVJDTQ-UHFFFAOYSA-N 2 2 345.495 1.326 20 0 EDADLP COC(=O)[C@H]1[C@H](C[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1(F)F ZINC000894288588 591267389 /nfs/dbraw/zinc/26/73/89/591267389.db2.gz VRXSFKQONSFMQK-LSDHHAIUSA-N 2 2 338.398 1.730 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)on1 ZINC000894453171 591316033 /nfs/dbraw/zinc/31/60/33/591316033.db2.gz RVEWCTZIKCWKRN-XHSDSOJGSA-N 2 2 340.427 1.916 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)on1 ZINC000894453171 591316036 /nfs/dbraw/zinc/31/60/36/591316036.db2.gz RVEWCTZIKCWKRN-XHSDSOJGSA-N 2 2 340.427 1.916 20 0 EDADLP CCn1cc(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(C)n1 ZINC000896000956 591320553 /nfs/dbraw/zinc/32/05/53/591320553.db2.gz ZTCPTOIXQFNIMV-UHFFFAOYSA-N 2 2 333.480 1.517 20 0 EDADLP CCO[C@H](CNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1)C[NH+](C)C ZINC000896112367 591348176 /nfs/dbraw/zinc/34/81/76/591348176.db2.gz LXCLVAZHKMROMK-RRFJBIMHSA-N 2 2 337.468 1.062 20 0 EDADLP CCO[C@H](CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1)C[NH+](C)C ZINC000896112367 591348179 /nfs/dbraw/zinc/34/81/79/591348179.db2.gz LXCLVAZHKMROMK-RRFJBIMHSA-N 2 2 337.468 1.062 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000894872892 591452590 /nfs/dbraw/zinc/45/25/90/591452590.db2.gz CSLCQESHBJBCTG-CQSZACIVSA-N 2 2 345.443 1.891 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000894872892 591452591 /nfs/dbraw/zinc/45/25/91/591452591.db2.gz CSLCQESHBJBCTG-CQSZACIVSA-N 2 2 345.443 1.891 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)C1 ZINC000897470736 591473755 /nfs/dbraw/zinc/47/37/55/591473755.db2.gz HVMVQXATNQDBBF-DOTOQJQBSA-N 2 2 343.475 1.917 20 0 EDADLP NC(=O)c1cccc(C[NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)c1 ZINC000898723557 591490028 /nfs/dbraw/zinc/49/00/28/591490028.db2.gz GEQQQYNLODGAHZ-GFCCVEGCSA-N 2 2 349.232 1.849 20 0 EDADLP Brc1c[nH+]c2n1C[C@@H]([NH2+]Cc1cnc3cnccn13)CC2 ZINC000898724210 591490207 /nfs/dbraw/zinc/49/02/07/591490207.db2.gz LXNUENQPLBQUGM-JTQLQIEISA-N 2 2 347.220 1.793 20 0 EDADLP C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896541824 591505910 /nfs/dbraw/zinc/50/59/10/591505910.db2.gz IKJCPRMDEARLIY-QAPCUYQASA-N 2 2 341.459 1.296 20 0 EDADLP C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896541824 591505914 /nfs/dbraw/zinc/50/59/14/591505914.db2.gz IKJCPRMDEARLIY-QAPCUYQASA-N 2 2 341.459 1.296 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[nH]n1 ZINC000897577489 591564731 /nfs/dbraw/zinc/56/47/31/591564731.db2.gz XLVXWXOMZYIHPF-PBHICJAKSA-N 2 2 331.464 1.923 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[nH]n1 ZINC000897577489 591564736 /nfs/dbraw/zinc/56/47/36/591564736.db2.gz XLVXWXOMZYIHPF-PBHICJAKSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[nH]n1 ZINC000897577489 591564743 /nfs/dbraw/zinc/56/47/43/591564743.db2.gz XLVXWXOMZYIHPF-PBHICJAKSA-N 2 2 331.464 1.923 20 0 EDADLP CCc1[nH]c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C(=O)OC ZINC000895083991 591574948 /nfs/dbraw/zinc/57/49/48/591574948.db2.gz GRTGUBHFMGPINN-UHFFFAOYSA-N 2 2 335.448 1.660 20 0 EDADLP CCc1[nH]c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C(=O)OC ZINC000895083991 591574952 /nfs/dbraw/zinc/57/49/52/591574952.db2.gz GRTGUBHFMGPINN-UHFFFAOYSA-N 2 2 335.448 1.660 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc(CCc4[nH]cc[nH+]4)n3)nc2)CC1 ZINC000896791997 591613478 /nfs/dbraw/zinc/61/34/78/591613478.db2.gz RDGOIVIGRWUCOW-UHFFFAOYSA-N 2 2 339.403 1.392 20 0 EDADLP CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000897704013 591631783 /nfs/dbraw/zinc/63/17/83/591631783.db2.gz ULOUVKQKXVDETD-KKUMJFAQSA-N 2 2 333.480 1.957 20 0 EDADLP CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC000897704013 591631787 /nfs/dbraw/zinc/63/17/87/591631787.db2.gz ULOUVKQKXVDETD-KKUMJFAQSA-N 2 2 333.480 1.957 20 0 EDADLP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCNC2=O)c2c1OC(F)(F)O2 ZINC000895226910 591668468 /nfs/dbraw/zinc/66/84/68/591668468.db2.gz YCTDQRBRJYWSNC-NSHDSACASA-N 2 2 327.331 1.048 20 0 EDADLP Cc1cc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc(N2CCCC2)[nH+]1 ZINC000897797226 591672839 /nfs/dbraw/zinc/67/28/39/591672839.db2.gz LDLVQWBFLOLCKT-KRWDZBQOSA-N 2 2 344.459 1.327 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC000896959976 591691756 /nfs/dbraw/zinc/69/17/56/591691756.db2.gz RMMDBKSJVZVJNT-RHSMWYFYSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC000896959976 591691757 /nfs/dbraw/zinc/69/17/57/591691757.db2.gz RMMDBKSJVZVJNT-RHSMWYFYSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000896959976 591691758 /nfs/dbraw/zinc/69/17/58/591691758.db2.gz RMMDBKSJVZVJNT-RHSMWYFYSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000896959976 591691759 /nfs/dbraw/zinc/69/17/59/591691759.db2.gz RMMDBKSJVZVJNT-RHSMWYFYSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896959976 591691760 /nfs/dbraw/zinc/69/17/60/591691760.db2.gz RMMDBKSJVZVJNT-RHSMWYFYSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896959976 591691762 /nfs/dbraw/zinc/69/17/62/591691762.db2.gz RMMDBKSJVZVJNT-RHSMWYFYSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000896959976 591691763 /nfs/dbraw/zinc/69/17/63/591691763.db2.gz RMMDBKSJVZVJNT-RHSMWYFYSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000896959976 591691764 /nfs/dbraw/zinc/69/17/64/591691764.db2.gz RMMDBKSJVZVJNT-RHSMWYFYSA-N 2 2 333.480 1.884 20 0 EDADLP O=C(N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899133809 591696702 /nfs/dbraw/zinc/69/67/02/591696702.db2.gz DRCFSHFEMQRDHU-JKSUJKDBSA-N 2 2 344.390 1.475 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC[N@@H+](C2CC2)C1 ZINC000897866401 591699506 /nfs/dbraw/zinc/69/95/06/591699506.db2.gz ZKLIWQHEKIYISU-SUMWQHHRSA-N 2 2 331.464 1.733 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC[N@H+](C2CC2)C1 ZINC000897866401 591699511 /nfs/dbraw/zinc/69/95/11/591699511.db2.gz ZKLIWQHEKIYISU-SUMWQHHRSA-N 2 2 331.464 1.733 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC[NH+](C2CC2)C1 ZINC000897866401 591699513 /nfs/dbraw/zinc/69/95/13/591699513.db2.gz ZKLIWQHEKIYISU-SUMWQHHRSA-N 2 2 331.464 1.733 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC[NH+](C2CC2)C1 ZINC000897866401 591699516 /nfs/dbraw/zinc/69/95/16/591699516.db2.gz ZKLIWQHEKIYISU-SUMWQHHRSA-N 2 2 331.464 1.733 20 0 EDADLP CN(C)c1cc[nH+]c(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1 ZINC000895466950 591768488 /nfs/dbraw/zinc/76/84/88/591768488.db2.gz YQZFPEVBHQVLQK-MRXNPFEDSA-N 2 2 342.447 1.901 20 0 EDADLP CN(C)c1cc[nH+]c(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1 ZINC000895466950 591768490 /nfs/dbraw/zinc/76/84/90/591768490.db2.gz YQZFPEVBHQVLQK-MRXNPFEDSA-N 2 2 342.447 1.901 20 0 EDADLP Cc1[nH]c(C2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)[nH+]c1C ZINC000899514807 591835883 /nfs/dbraw/zinc/83/58/83/591835883.db2.gz WWYTVDVQZHFXLJ-UHFFFAOYSA-N 2 2 346.475 1.843 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)C12CC[NH+](CC1)C2 ZINC000900015279 591867395 /nfs/dbraw/zinc/86/73/95/591867395.db2.gz DNDPLZPMIFXBSO-QGZVFWFLSA-N 2 2 329.444 1.272 20 0 EDADLP CC1(O)CCN(c2cc(N[C@@H]3Cc4ccccc4[C@H]3[NH3+])nc[nH+]2)CC1 ZINC000900021683 591871259 /nfs/dbraw/zinc/87/12/59/591871259.db2.gz YYCZYMCWIBBSJH-CRAIPNDOSA-N 2 2 339.443 1.864 20 0 EDADLP O=C(NCc1ccccc1-c1[nH]cc[nH+]1)C1C[NH+](C2CCOCC2)C1 ZINC000909635096 591875276 /nfs/dbraw/zinc/87/52/76/591875276.db2.gz PZQRHKFNZKWVSG-UHFFFAOYSA-N 2 2 340.427 1.804 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900111609 591912024 /nfs/dbraw/zinc/91/20/24/591912024.db2.gz BLRGCRAPHXOYLR-HOTGVXAUSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900111609 591912028 /nfs/dbraw/zinc/91/20/28/591912028.db2.gz BLRGCRAPHXOYLR-HOTGVXAUSA-N 2 2 325.416 1.900 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H](O)Cc3cccc(F)c3)nn2)CC1 ZINC000899723716 591920887 /nfs/dbraw/zinc/92/08/87/591920887.db2.gz DFGLXLVITXRVIO-SFHVURJKSA-N 2 2 347.438 1.205 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000902340545 591976724 /nfs/dbraw/zinc/97/67/24/591976724.db2.gz WUGVBRSOORBJQB-SFHVURJKSA-N 4 2 345.535 1.962 20 0 EDADLP COCC[C@H]1CCN(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000902376392 591983590 /nfs/dbraw/zinc/98/35/90/591983590.db2.gz JTLNODGKAGYFOS-HZPDHXFCSA-N 2 2 332.448 1.435 20 0 EDADLP COCC[C@H]1CCN(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000902376392 591983593 /nfs/dbraw/zinc/98/35/93/591983593.db2.gz JTLNODGKAGYFOS-HZPDHXFCSA-N 2 2 332.448 1.435 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000900339577 591988965 /nfs/dbraw/zinc/98/89/65/591988965.db2.gz PRALOLRDPZHXIO-UHFFFAOYSA-N 2 2 336.346 1.746 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000900340372 591989203 /nfs/dbraw/zinc/98/92/03/591989203.db2.gz PEZRJRDPRUEXIA-KRWDZBQOSA-N 2 2 349.523 1.830 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902442509 591996553 /nfs/dbraw/zinc/99/65/53/591996553.db2.gz IVMOHKGKOFOOKK-ZFWWWQNUSA-N 2 2 339.480 1.154 20 0 EDADLP CN(c1cccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1)S(C)(=O)=O ZINC000902515578 592008914 /nfs/dbraw/zinc/00/89/14/592008914.db2.gz WYJRVCSUZRPNHI-AYIQCDPPSA-N 2 2 335.473 1.168 20 0 EDADLP CC[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000902518092 592009479 /nfs/dbraw/zinc/00/94/79/592009479.db2.gz KKDRLORXSWPDDD-RWMBFGLXSA-N 2 2 339.871 1.925 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CCCN2c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000900419049 592013855 /nfs/dbraw/zinc/01/38/55/592013855.db2.gz QGXRVMHHWVVFGJ-IIDMSEBBSA-N 2 2 331.464 1.536 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)C[C@]2(O)CCC[N@H+](C)C2)c1C ZINC000900432972 592016896 /nfs/dbraw/zinc/01/68/96/592016896.db2.gz BHGXIDPLNYDABY-GOSISDBHSA-N 2 2 335.448 1.512 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1C ZINC000900432972 592016899 /nfs/dbraw/zinc/01/68/99/592016899.db2.gz BHGXIDPLNYDABY-GOSISDBHSA-N 2 2 335.448 1.512 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000900446591 592020004 /nfs/dbraw/zinc/02/00/04/592020004.db2.gz PHZIRMWSFPRXJL-RBUKOAKNSA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000900446591 592020007 /nfs/dbraw/zinc/02/00/07/592020007.db2.gz PHZIRMWSFPRXJL-RBUKOAKNSA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000900446589 592020369 /nfs/dbraw/zinc/02/03/69/592020369.db2.gz PHZIRMWSFPRXJL-MOPGFXCFSA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)CC1 ZINC000900446589 592020371 /nfs/dbraw/zinc/02/03/71/592020371.db2.gz PHZIRMWSFPRXJL-MOPGFXCFSA-N 3 2 348.535 1.678 20 0 EDADLP C/C(=C\C(=O)Nc1cccc(OCC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000900457586 592023460 /nfs/dbraw/zinc/02/34/60/592023460.db2.gz ZISBRNJQOYNZSD-DTQAZKPQSA-N 2 2 347.459 1.844 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900657745 592083250 /nfs/dbraw/zinc/08/32/50/592083250.db2.gz ADJHWGAWWZGHSW-IRXDYDNUSA-N 2 2 345.491 1.564 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900657745 592083254 /nfs/dbraw/zinc/08/32/54/592083254.db2.gz ADJHWGAWWZGHSW-IRXDYDNUSA-N 2 2 345.491 1.564 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000900667016 592086002 /nfs/dbraw/zinc/08/60/02/592086002.db2.gz KYKTXKDMYSGWHS-WBVHZDCISA-N 2 2 341.496 1.007 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000900760279 592109234 /nfs/dbraw/zinc/10/92/34/592109234.db2.gz TXOTUQLQXZGSHD-AWEZNQCLSA-N 2 2 332.448 1.662 20 0 EDADLP c1n[nH]c2c1CCC[C@@H]2[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000903086868 592118045 /nfs/dbraw/zinc/11/80/45/592118045.db2.gz BZQYKDFLRNMDDQ-IRXDYDNUSA-N 2 2 333.480 1.173 20 0 EDADLP c1[nH]nc2c1CCC[C@@H]2[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000903086868 592118046 /nfs/dbraw/zinc/11/80/46/592118046.db2.gz BZQYKDFLRNMDDQ-IRXDYDNUSA-N 2 2 333.480 1.173 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000903095829 592122517 /nfs/dbraw/zinc/12/25/17/592122517.db2.gz QDDFYQMXRRYWAT-ABFRBSLYSA-N 2 2 347.507 1.292 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000903095829 592122520 /nfs/dbraw/zinc/12/25/20/592122520.db2.gz QDDFYQMXRRYWAT-ABFRBSLYSA-N 2 2 347.507 1.292 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178253 592131228 /nfs/dbraw/zinc/13/12/28/592131228.db2.gz VLNZLIHTPLEJBN-GJZGRUSLSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178253 592131230 /nfs/dbraw/zinc/13/12/30/592131230.db2.gz VLNZLIHTPLEJBN-GJZGRUSLSA-N 2 2 341.496 1.869 20 0 EDADLP C([C@@H]1CCCO1)[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000903269791 592149192 /nfs/dbraw/zinc/14/91/92/592149192.db2.gz BORJBRAKOVAITE-OKZBNKHCSA-N 2 2 339.549 1.799 20 0 EDADLP C([C@@H]1CCCO1)[NH+]1CCC(N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000903269791 592149193 /nfs/dbraw/zinc/14/91/93/592149193.db2.gz BORJBRAKOVAITE-OKZBNKHCSA-N 2 2 339.549 1.799 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000903301835 592153246 /nfs/dbraw/zinc/15/32/46/592153246.db2.gz VWARTIXCFQZYKR-VBQJREDUSA-N 2 2 337.489 1.970 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000903301835 592153248 /nfs/dbraw/zinc/15/32/48/592153248.db2.gz VWARTIXCFQZYKR-VBQJREDUSA-N 2 2 337.489 1.970 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nnnn1C ZINC000903345002 592156709 /nfs/dbraw/zinc/15/67/09/592156709.db2.gz UBUUMGQMOYIULT-HOCLYGCPSA-N 2 2 329.452 1.038 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nnnn1C ZINC000903345002 592156710 /nfs/dbraw/zinc/15/67/10/592156710.db2.gz UBUUMGQMOYIULT-HOCLYGCPSA-N 2 2 329.452 1.038 20 0 EDADLP C[C@@H]1CCC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)[C@@H]1C[NH3+] ZINC000903425266 592167872 /nfs/dbraw/zinc/16/78/72/592167872.db2.gz YYVOGLCJGGQGNX-RHSMWYFYSA-N 2 2 345.443 1.358 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)[C@@H]1C[NH3+] ZINC000903425266 592167874 /nfs/dbraw/zinc/16/78/74/592167874.db2.gz YYVOGLCJGGQGNX-RHSMWYFYSA-N 2 2 345.443 1.358 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000903432618 592169035 /nfs/dbraw/zinc/16/90/35/592169035.db2.gz HDEJAECJIUERFM-CVEARBPZSA-N 2 2 337.489 1.239 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000903432618 592169036 /nfs/dbraw/zinc/16/90/36/592169036.db2.gz HDEJAECJIUERFM-CVEARBPZSA-N 2 2 337.489 1.239 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485758 592177925 /nfs/dbraw/zinc/17/79/25/592177925.db2.gz PZCKYZQUMZBBOK-QGZVFWFLSA-N 2 2 331.460 1.714 20 0 EDADLP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CCO2 ZINC000903565614 592212006 /nfs/dbraw/zinc/21/20/06/592212006.db2.gz NZJRTUVPSZHGIW-AAEUAGOBSA-N 2 2 327.222 1.851 20 0 EDADLP Cc1cc(C)c(C)c(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)c1C ZINC000903567455 592213606 /nfs/dbraw/zinc/21/36/06/592213606.db2.gz BMZOGGXTFRXMFO-UHFFFAOYSA-N 2 2 339.505 1.622 20 0 EDADLP CC(C)(C(=O)NCc1nc(C[NH+]2CCCCC2)no1)[NH+]1CCCCC1 ZINC000908009035 592260258 /nfs/dbraw/zinc/26/02/58/592260258.db2.gz BZGLNABMRNCSPS-UHFFFAOYSA-N 2 2 349.479 1.936 20 0 EDADLP [NH3+]Cc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000904653063 592304831 /nfs/dbraw/zinc/30/48/31/592304831.db2.gz FZQCLMFWQXEIID-MRXNPFEDSA-N 2 2 332.448 1.864 20 0 EDADLP CC1CC(n2nnc3c2C[N@H+](C[C@@H]2C[C@]4(CC[NH2+]C4)CO2)CC3)C1 ZINC000903778605 592318916 /nfs/dbraw/zinc/31/89/16/592318916.db2.gz PAXIYHAXXFQLKM-GULCKSEBSA-N 2 2 331.464 1.376 20 0 EDADLP CC1CC(n2nnc3c2C[N@@H+](C[C@@H]2C[C@]4(CC[NH2+]C4)CO2)CC3)C1 ZINC000903778605 592318918 /nfs/dbraw/zinc/31/89/18/592318918.db2.gz PAXIYHAXXFQLKM-GULCKSEBSA-N 2 2 331.464 1.376 20 0 EDADLP CC1CC(n2nnc3c2C[N@H+](C[C@@H]2CC4(CO2)CC[NH2+]CC4)CC3)C1 ZINC000903779194 592319429 /nfs/dbraw/zinc/31/94/29/592319429.db2.gz VSDVMGNAQXKENP-GPANFISMSA-N 2 2 345.491 1.766 20 0 EDADLP CC1CC(n2nnc3c2C[N@@H+](C[C@@H]2CC4(CO2)CC[NH2+]CC4)CC3)C1 ZINC000903779194 592319433 /nfs/dbraw/zinc/31/94/33/592319433.db2.gz VSDVMGNAQXKENP-GPANFISMSA-N 2 2 345.491 1.766 20 0 EDADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815340 592324192 /nfs/dbraw/zinc/32/41/92/592324192.db2.gz NAHQUURVAPLPNG-UHFFFAOYSA-N 2 2 339.524 1.972 20 0 EDADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815340 592324200 /nfs/dbraw/zinc/32/42/00/592324200.db2.gz NAHQUURVAPLPNG-UHFFFAOYSA-N 2 2 339.524 1.972 20 0 EDADLP Oc1ccc(N2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000903872071 592354791 /nfs/dbraw/zinc/35/47/91/592354791.db2.gz CIDZPKPQBYQVLP-MRXNPFEDSA-N 2 2 342.447 1.230 20 0 EDADLP [NH3+]CCC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903905185 592372971 /nfs/dbraw/zinc/37/29/71/592372971.db2.gz AJHHEPFIJVYNHU-KRWDZBQOSA-N 3 2 328.464 1.554 20 0 EDADLP [NH3+]CCC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903905185 592372975 /nfs/dbraw/zinc/37/29/75/592372975.db2.gz AJHHEPFIJVYNHU-KRWDZBQOSA-N 3 2 328.464 1.554 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905050655 592380308 /nfs/dbraw/zinc/38/03/08/592380308.db2.gz VYEMLOITUIZGOG-CRAIPNDOSA-N 2 2 333.432 1.227 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906881296 592381914 /nfs/dbraw/zinc/38/19/14/592381914.db2.gz ROJDGLMTLLCLNZ-UHFFFAOYSA-N 2 2 336.480 1.282 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906881296 592381920 /nfs/dbraw/zinc/38/19/20/592381920.db2.gz ROJDGLMTLLCLNZ-UHFFFAOYSA-N 2 2 336.480 1.282 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000901550737 592396123 /nfs/dbraw/zinc/39/61/23/592396123.db2.gz YVWMBXKAZIZHTE-ZDUSSCGKSA-N 2 2 344.459 1.719 20 0 EDADLP COc1cc2c(cc1C[NH2+][C@H]1C[NH2+]CC3(CCOCC3)C1)OCO2 ZINC000903971796 592397310 /nfs/dbraw/zinc/39/73/10/592397310.db2.gz FDEZIUJRMOTEOS-CQSZACIVSA-N 2 2 334.416 1.672 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000905157848 592424289 /nfs/dbraw/zinc/42/42/89/592424289.db2.gz DKUNUJORNIFJHI-WXSAJPJJSA-N 2 2 338.492 1.933 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000905157848 592424292 /nfs/dbraw/zinc/42/42/92/592424292.db2.gz DKUNUJORNIFJHI-WXSAJPJJSA-N 2 2 338.492 1.933 20 0 EDADLP C[C@@H](C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1)C[NH+]1CCOCC1 ZINC000905137724 592431994 /nfs/dbraw/zinc/43/19/94/592431994.db2.gz URIJXBJNPIJLNV-RDJZCZTQSA-N 2 2 347.459 1.466 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC000905367623 592517200 /nfs/dbraw/zinc/51/72/00/592517200.db2.gz KYFHVDCUHHHBKJ-IPMKNSEASA-N 2 2 336.476 1.298 20 0 EDADLP OCCC[N@H+]1CCC[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC000905367623 592517203 /nfs/dbraw/zinc/51/72/03/592517203.db2.gz KYFHVDCUHHHBKJ-IPMKNSEASA-N 2 2 336.476 1.298 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c(C)[nH+]1 ZINC000907203883 592545409 /nfs/dbraw/zinc/54/54/09/592545409.db2.gz TWONHTAYCFZJHO-UHFFFAOYSA-N 2 2 347.459 1.306 20 0 EDADLP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000905541866 592557265 /nfs/dbraw/zinc/55/72/65/592557265.db2.gz RJVOCGGZUQSBRK-WDYCEAGBSA-N 2 2 334.460 1.630 20 0 EDADLP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC000905541866 592557267 /nfs/dbraw/zinc/55/72/67/592557267.db2.gz RJVOCGGZUQSBRK-WDYCEAGBSA-N 2 2 334.460 1.630 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)CC1(O)CCCCC1 ZINC000905619452 592596190 /nfs/dbraw/zinc/59/61/90/592596190.db2.gz MUZMHVVZYOLCHR-SJORKVTESA-N 2 2 326.481 1.276 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)CC1(O)CCCCC1 ZINC000905619452 592596192 /nfs/dbraw/zinc/59/61/92/592596192.db2.gz MUZMHVVZYOLCHR-SJORKVTESA-N 2 2 326.481 1.276 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CC[NH2+]CCC34CCC4)nc[nH+]2)C1 ZINC000905658687 592599296 /nfs/dbraw/zinc/59/92/96/592599296.db2.gz DXGWHSISCSNBCM-OAHLLOKOSA-N 2 2 331.464 1.408 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NC[C@H]2C[NH2+]CCC2(F)F)[nH+]cn1 ZINC000905679599 592610169 /nfs/dbraw/zinc/61/01/69/592610169.db2.gz YIQGWSGAKFBEKM-CHWSQXEVSA-N 2 2 341.406 1.485 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NC[C@H]2C[NH2+]CCC2(F)F)nc[nH+]1 ZINC000905679599 592610171 /nfs/dbraw/zinc/61/01/71/592610171.db2.gz YIQGWSGAKFBEKM-CHWSQXEVSA-N 2 2 341.406 1.485 20 0 EDADLP CCCCNc1cc(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)nc(N)[nH+]1 ZINC000905695605 592625486 /nfs/dbraw/zinc/62/54/86/592625486.db2.gz RMROAJVQABIIBV-ZDUSSCGKSA-N 2 2 334.468 1.841 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000905915691 592681018 /nfs/dbraw/zinc/68/10/18/592681018.db2.gz VFGHGNVQCGXZRR-KRWDZBQOSA-N 2 2 346.475 1.656 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000905915691 592681021 /nfs/dbraw/zinc/68/10/21/592681021.db2.gz VFGHGNVQCGXZRR-KRWDZBQOSA-N 2 2 346.475 1.656 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)CCCC[NH+](C)C)ccc2n1C(CO)CO ZINC000909303583 592803746 /nfs/dbraw/zinc/80/37/46/592803746.db2.gz ZDNRSVAXNQHPCS-UHFFFAOYSA-N 2 2 348.447 1.541 20 0 EDADLP Cc1cc(C)c(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)[nH+]1 ZINC000906518809 592839064 /nfs/dbraw/zinc/83/90/64/592839064.db2.gz VQOIFXMVDGEFIL-OAHLLOKOSA-N 2 2 332.448 1.324 20 0 EDADLP Cc1cc(C)c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)[nH+]1 ZINC000906518809 592839068 /nfs/dbraw/zinc/83/90/68/592839068.db2.gz VQOIFXMVDGEFIL-OAHLLOKOSA-N 2 2 332.448 1.324 20 0 EDADLP CCC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911204814 592953799 /nfs/dbraw/zinc/95/37/99/592953799.db2.gz HTTIRMQTFCXPNB-HOCLYGCPSA-N 2 2 338.496 1.001 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000911998978 593047385 /nfs/dbraw/zinc/04/73/85/593047385.db2.gz VGMFGOPFJXIZIG-UHFFFAOYSA-N 2 2 328.420 1.158 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000912166516 593067165 /nfs/dbraw/zinc/06/71/65/593067165.db2.gz NDHYQYURFGDWBD-UHFFFAOYSA-N 2 2 330.413 1.721 20 0 EDADLP Cc1n[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C(F)(F)F ZINC000912386959 593090010 /nfs/dbraw/zinc/09/00/10/593090010.db2.gz LUHNRRLXMRVOJP-UHFFFAOYSA-N 2 2 335.374 1.350 20 0 EDADLP Cc1n[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C(F)(F)F ZINC000912386959 593090011 /nfs/dbraw/zinc/09/00/11/593090011.db2.gz LUHNRRLXMRVOJP-UHFFFAOYSA-N 2 2 335.374 1.350 20 0 EDADLP COC(=O)c1cn(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nn1 ZINC000782943655 593130573 /nfs/dbraw/zinc/13/05/73/593130573.db2.gz ZKGGAYKNSZMBSA-UHFFFAOYSA-N 2 2 332.408 1.411 20 0 EDADLP Cn1cc([C@@H]2N(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171125 593233388 /nfs/dbraw/zinc/23/33/88/593233388.db2.gz ILDRABPWBWHPAY-OIISXLGYSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@@H]2N(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171125 593233389 /nfs/dbraw/zinc/23/33/89/593233389.db2.gz ILDRABPWBWHPAY-OIISXLGYSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@@H]2N(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171125 593233390 /nfs/dbraw/zinc/23/33/90/593233390.db2.gz ILDRABPWBWHPAY-OIISXLGYSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@@H]2N(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171125 593233391 /nfs/dbraw/zinc/23/33/91/593233391.db2.gz ILDRABPWBWHPAY-OIISXLGYSA-N 2 2 345.491 1.703 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1cn(C)c[nH+]1 ZINC000808398193 593256878 /nfs/dbraw/zinc/25/68/78/593256878.db2.gz DETGMVHJEBXDDN-UHFFFAOYSA-N 2 2 343.431 1.428 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccnc(-n3cc[nH+]c3)c1)C2 ZINC000810183487 593387587 /nfs/dbraw/zinc/38/75/87/593387587.db2.gz YGCSFFGCXWRXNJ-OAHLLOKOSA-N 2 2 336.399 1.651 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000817371787 593597014 /nfs/dbraw/zinc/59/70/14/593597014.db2.gz CQHXKSUBMPBUKS-HKUYNNGSSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000817371787 593597016 /nfs/dbraw/zinc/59/70/16/593597016.db2.gz CQHXKSUBMPBUKS-HKUYNNGSSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000817371787 593597018 /nfs/dbraw/zinc/59/70/18/593597018.db2.gz CQHXKSUBMPBUKS-HKUYNNGSSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3C[C@@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000817371787 593597019 /nfs/dbraw/zinc/59/70/19/593597019.db2.gz CQHXKSUBMPBUKS-HKUYNNGSSA-N 2 2 348.535 1.694 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000818986308 593732347 /nfs/dbraw/zinc/73/23/47/593732347.db2.gz KORYBXTWZBMRCQ-QRVBRYPASA-N 2 2 348.487 1.804 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1C ZINC000818986308 593732348 /nfs/dbraw/zinc/73/23/48/593732348.db2.gz KORYBXTWZBMRCQ-QRVBRYPASA-N 2 2 348.487 1.804 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000819079010 593737529 /nfs/dbraw/zinc/73/75/29/593737529.db2.gz PPWJIPQMWBVDOO-RHSMWYFYSA-N 2 2 329.485 1.726 20 0 EDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C[C@@H](O)CSC ZINC000819451680 593755105 /nfs/dbraw/zinc/75/51/05/593755105.db2.gz PVJYQLXLWKAVEV-OAHLLOKOSA-N 2 2 339.505 1.973 20 0 EDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]CCS(C)(=O)=O ZINC000819452346 593755425 /nfs/dbraw/zinc/75/54/25/593755425.db2.gz VOLPOGZWEQYSKS-UHFFFAOYSA-N 2 2 341.477 1.294 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261416 593969895 /nfs/dbraw/zinc/96/98/95/593969895.db2.gz JTXSIQPVPIOZPA-RHSMWYFYSA-N 2 2 344.463 1.874 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261416 593969896 /nfs/dbraw/zinc/96/98/96/593969896.db2.gz JTXSIQPVPIOZPA-RHSMWYFYSA-N 2 2 344.463 1.874 20 0 EDADLP Cc1cccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[nH+]1 ZINC000822309198 594029241 /nfs/dbraw/zinc/02/92/41/594029241.db2.gz PNKRFHIHIJMBNC-UHFFFAOYSA-N 2 2 335.415 1.892 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000824583165 594042309 /nfs/dbraw/zinc/04/23/09/594042309.db2.gz IJTHLHUSTYDFRS-KFWWJZLASA-N 2 2 348.434 1.790 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000824583165 594042310 /nfs/dbraw/zinc/04/23/10/594042310.db2.gz IJTHLHUSTYDFRS-KFWWJZLASA-N 2 2 348.434 1.790 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584727 594043266 /nfs/dbraw/zinc/04/32/66/594043266.db2.gz FVGSGEMMVHVNSO-YUTCNCBUSA-N 2 2 346.410 1.520 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584727 594043267 /nfs/dbraw/zinc/04/32/67/594043267.db2.gz FVGSGEMMVHVNSO-YUTCNCBUSA-N 2 2 346.410 1.520 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000825260444 594157650 /nfs/dbraw/zinc/15/76/50/594157650.db2.gz VDVKRQCUDLRHSV-IKGGRYGDSA-N 2 2 344.459 1.502 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000825260444 594157651 /nfs/dbraw/zinc/15/76/51/594157651.db2.gz VDVKRQCUDLRHSV-IKGGRYGDSA-N 2 2 344.459 1.502 20 0 EDADLP Cc1nc(C[NH+]2CCC(c3nc(N4CC[NH2+]CC4)no3)CC2)cs1 ZINC000823320654 594185556 /nfs/dbraw/zinc/18/55/56/594185556.db2.gz FRUGWVGCFRFSCM-UHFFFAOYSA-N 2 2 348.476 1.624 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)Cc3[nH]cc[nH+]3)CCCC2)no1 ZINC000823614049 594221295 /nfs/dbraw/zinc/22/12/95/594221295.db2.gz UFLPBGKLLAQYRK-UHFFFAOYSA-N 2 2 346.435 1.763 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000827549188 594230432 /nfs/dbraw/zinc/23/04/32/594230432.db2.gz DBPHQIYBBOMMLG-XVWMLYKFSA-N 2 2 334.416 1.809 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1C ZINC000827970621 594312511 /nfs/dbraw/zinc/31/25/11/594312511.db2.gz HPOURDRCVYKHJH-ZDUSSCGKSA-N 2 2 344.419 1.153 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000826169431 594360474 /nfs/dbraw/zinc/36/04/74/594360474.db2.gz RZKAJBRAFMREAU-CQSZACIVSA-N 2 2 339.403 1.978 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000826169431 594360477 /nfs/dbraw/zinc/36/04/77/594360477.db2.gz RZKAJBRAFMREAU-CQSZACIVSA-N 2 2 339.403 1.978 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826589648 594534085 /nfs/dbraw/zinc/53/40/85/594534085.db2.gz KXIZOXUCBPBTIV-SFHVURJKSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826589648 594534087 /nfs/dbraw/zinc/53/40/87/594534087.db2.gz KXIZOXUCBPBTIV-SFHVURJKSA-N 2 2 342.443 1.517 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1c[nH+]cn1C ZINC000826660082 594548725 /nfs/dbraw/zinc/54/87/25/594548725.db2.gz IPSUAUZTRSIQKK-WMZOPIPTSA-N 2 2 347.507 1.936 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1c[nH+]cn1C ZINC000826660082 594548726 /nfs/dbraw/zinc/54/87/26/594548726.db2.gz IPSUAUZTRSIQKK-WMZOPIPTSA-N 2 2 347.507 1.936 20 0 EDADLP [NH3+]Cc1cccc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000831793583 594703539 /nfs/dbraw/zinc/70/35/39/594703539.db2.gz UXDVEUDORHJTCI-UHFFFAOYSA-N 2 2 349.438 1.751 20 0 EDADLP CC(C)N(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000841054030 594845269 /nfs/dbraw/zinc/84/52/69/594845269.db2.gz QQJZFGPAXGGOAY-AWEZNQCLSA-N 2 2 337.443 1.777 20 0 EDADLP CC(C)N(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000841054030 594845272 /nfs/dbraw/zinc/84/52/72/594845272.db2.gz QQJZFGPAXGGOAY-AWEZNQCLSA-N 2 2 337.443 1.777 20 0 EDADLP COCC1(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)CC[NH2+]CC1 ZINC000841154184 594859818 /nfs/dbraw/zinc/85/98/18/594859818.db2.gz CMKOPVZDXUEARL-UHFFFAOYSA-N 2 2 335.452 1.594 20 0 EDADLP CC(=O)OCCCc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000841208774 594868409 /nfs/dbraw/zinc/86/84/09/594868409.db2.gz ZILSEWFRTUQIMZ-KRWDZBQOSA-N 2 2 348.447 1.289 20 0 EDADLP CC(=O)OCCCc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000841208774 594868410 /nfs/dbraw/zinc/86/84/10/594868410.db2.gz ZILSEWFRTUQIMZ-KRWDZBQOSA-N 2 2 348.447 1.289 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000841672480 594933641 /nfs/dbraw/zinc/93/36/41/594933641.db2.gz GGMXHBMKCOHKQW-LSDHHAIUSA-N 2 2 328.420 1.584 20 0 EDADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000841673088 594933786 /nfs/dbraw/zinc/93/37/86/594933786.db2.gz WUMUWNGDSLWGQD-HNNXBMFYSA-N 2 2 330.436 1.782 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)S1 ZINC000841944863 594987093 /nfs/dbraw/zinc/98/70/93/594987093.db2.gz LXXSIVITCDYDMA-UHFFFAOYSA-N 2 2 339.509 1.465 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)S1 ZINC000841982439 594994871 /nfs/dbraw/zinc/99/48/71/594994871.db2.gz FGDJCZBUDQOBOY-CHWSQXEVSA-N 2 2 339.509 1.465 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000843375876 595093776 /nfs/dbraw/zinc/09/37/76/595093776.db2.gz NHVWXKYLQLPAKK-OAHLLOKOSA-N 2 2 346.475 1.663 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843404670 595102223 /nfs/dbraw/zinc/10/22/23/595102223.db2.gz WVSNHFQFDCMCEA-HUUCEWRRSA-N 2 2 329.485 1.536 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843404670 595102224 /nfs/dbraw/zinc/10/22/24/595102224.db2.gz WVSNHFQFDCMCEA-HUUCEWRRSA-N 2 2 329.485 1.536 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867432718 595281267 /nfs/dbraw/zinc/28/12/67/595281267.db2.gz GDZTVFBDXYIHRO-WOMSROEHSA-N 2 2 349.500 1.842 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000844198461 595300212 /nfs/dbraw/zinc/30/02/12/595300212.db2.gz IQQGXLGXPWXPAS-JKSUJKDBSA-N 2 2 325.416 1.872 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000846834435 595323590 /nfs/dbraw/zinc/32/35/90/595323590.db2.gz ABZWCIPVHWOIIL-LLVKDONJSA-N 2 2 340.387 1.430 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000846834435 595323593 /nfs/dbraw/zinc/32/35/93/595323593.db2.gz ABZWCIPVHWOIIL-LLVKDONJSA-N 2 2 340.387 1.430 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839150 595324771 /nfs/dbraw/zinc/32/47/71/595324771.db2.gz DPVHXRGKKHQZJX-INIZCTEOSA-N 2 2 339.867 1.763 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839150 595324776 /nfs/dbraw/zinc/32/47/76/595324776.db2.gz DPVHXRGKKHQZJX-INIZCTEOSA-N 2 2 339.867 1.763 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839150 595324779 /nfs/dbraw/zinc/32/47/79/595324779.db2.gz DPVHXRGKKHQZJX-INIZCTEOSA-N 2 2 339.867 1.763 20 0 EDADLP O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000844455996 595345476 /nfs/dbraw/zinc/34/54/76/595345476.db2.gz WYQWQLKPKAZGNK-OKILXGFUSA-N 2 2 341.427 1.589 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000844455996 595345477 /nfs/dbraw/zinc/34/54/77/595345477.db2.gz WYQWQLKPKAZGNK-OKILXGFUSA-N 2 2 341.427 1.589 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)c1ccccc1Br ZINC000846985317 595346684 /nfs/dbraw/zinc/34/66/84/595346684.db2.gz STOLVQWSOZXTLC-DOMZBBRYSA-N 2 2 345.281 1.727 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)c1ccccc1Br ZINC000846985317 595346686 /nfs/dbraw/zinc/34/66/86/595346686.db2.gz STOLVQWSOZXTLC-DOMZBBRYSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000846985317 595346688 /nfs/dbraw/zinc/34/66/88/595346688.db2.gz STOLVQWSOZXTLC-DOMZBBRYSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000846985317 595346689 /nfs/dbraw/zinc/34/66/89/595346689.db2.gz STOLVQWSOZXTLC-DOMZBBRYSA-N 2 2 345.281 1.727 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000847009384 595349845 /nfs/dbraw/zinc/34/98/45/595349845.db2.gz QCZQQWWAVQOCHF-IAGOWNOFSA-N 2 2 326.868 1.936 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000847009384 595349848 /nfs/dbraw/zinc/34/98/48/595349848.db2.gz QCZQQWWAVQOCHF-IAGOWNOFSA-N 2 2 326.868 1.936 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000847009384 595349851 /nfs/dbraw/zinc/34/98/51/595349851.db2.gz QCZQQWWAVQOCHF-IAGOWNOFSA-N 2 2 326.868 1.936 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000847009384 595349854 /nfs/dbraw/zinc/34/98/54/595349854.db2.gz QCZQQWWAVQOCHF-IAGOWNOFSA-N 2 2 326.868 1.936 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)n1 ZINC000847531731 595442326 /nfs/dbraw/zinc/44/23/26/595442326.db2.gz DWTFDNCFBVYHES-UHFFFAOYSA-N 2 2 343.422 1.246 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)n1 ZINC000847531731 595442329 /nfs/dbraw/zinc/44/23/29/595442329.db2.gz DWTFDNCFBVYHES-UHFFFAOYSA-N 2 2 343.422 1.246 20 0 EDADLP C[C@H]([NH2+][C@@H](C)c1ccns1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000860055750 595559148 /nfs/dbraw/zinc/55/91/48/595559148.db2.gz FRESLPVIEILKCJ-KBPBESRZSA-N 2 2 345.472 1.926 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)Cn1cc[nH+]c1 ZINC000849554222 595564476 /nfs/dbraw/zinc/56/44/76/595564476.db2.gz VIOUYGDTZJWIJP-DJIMGWMZSA-N 2 2 344.463 1.104 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1)Cn1cc[nH+]c1 ZINC000849554222 595564477 /nfs/dbraw/zinc/56/44/77/595564477.db2.gz VIOUYGDTZJWIJP-DJIMGWMZSA-N 2 2 344.463 1.104 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000853103798 595665640 /nfs/dbraw/zinc/66/56/40/595665640.db2.gz PKJQAWRLFGZUNQ-UYAOXDASSA-N 2 2 341.455 1.996 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000853103798 595665642 /nfs/dbraw/zinc/66/56/42/595665642.db2.gz PKJQAWRLFGZUNQ-UYAOXDASSA-N 2 2 341.455 1.996 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000855415958 595705315 /nfs/dbraw/zinc/70/53/15/595705315.db2.gz CZRWRGDQYJRYMF-QGZVFWFLSA-N 2 2 332.448 1.179 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000855415958 595705316 /nfs/dbraw/zinc/70/53/16/595705316.db2.gz CZRWRGDQYJRYMF-QGZVFWFLSA-N 2 2 332.448 1.179 20 0 EDADLP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000853333785 595737181 /nfs/dbraw/zinc/73/71/81/595737181.db2.gz KITDHERAAJBTNJ-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000853333785 595737185 /nfs/dbraw/zinc/73/71/85/595737185.db2.gz KITDHERAAJBTNJ-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000858298149 595757204 /nfs/dbraw/zinc/75/72/04/595757204.db2.gz NKVSIGYGJMRJOI-RRFJBIMHSA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000858298149 595757207 /nfs/dbraw/zinc/75/72/07/595757207.db2.gz NKVSIGYGJMRJOI-RRFJBIMHSA-N 2 2 327.469 1.479 20 0 EDADLP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000850354176 595815905 /nfs/dbraw/zinc/81/59/05/595815905.db2.gz XDKJPYBELUMNAL-BBWFWOEESA-N 2 2 330.432 1.923 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+](CC3CC3)C2)CCO1 ZINC000853607755 595829767 /nfs/dbraw/zinc/82/97/67/595829767.db2.gz URURAMIKYIYYHE-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+](CC3CC3)C2)CCO1 ZINC000853607755 595829768 /nfs/dbraw/zinc/82/97/68/595829768.db2.gz URURAMIKYIYYHE-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000853607755 595829771 /nfs/dbraw/zinc/82/97/71/595829771.db2.gz URURAMIKYIYYHE-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000853607755 595829774 /nfs/dbraw/zinc/82/97/74/595829774.db2.gz URURAMIKYIYYHE-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP Cc1nonc1CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000853664340 595850186 /nfs/dbraw/zinc/85/01/86/595850186.db2.gz LWHBMTSFIJOQED-UHFFFAOYSA-N 2 2 345.403 1.381 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853824171 595892453 /nfs/dbraw/zinc/89/24/53/595892453.db2.gz XFEBEVUYVAOGTI-CVEARBPZSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853824171 595892455 /nfs/dbraw/zinc/89/24/55/595892455.db2.gz XFEBEVUYVAOGTI-CVEARBPZSA-N 3 2 327.517 1.042 20 0 EDADLP COCc1cc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)ccc1OC ZINC000854231304 596010023 /nfs/dbraw/zinc/01/00/23/596010023.db2.gz JDDPRCZMLSMIRT-LLVKDONJSA-N 2 2 332.404 1.647 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000861550981 596026646 /nfs/dbraw/zinc/02/66/46/596026646.db2.gz BCIKCVQCVIDADR-AWEZNQCLSA-N 2 2 347.463 1.078 20 0 EDADLP CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000856595188 596026671 /nfs/dbraw/zinc/02/66/71/596026671.db2.gz PYQZRJISMIZSQX-SFHVURJKSA-N 2 2 341.415 1.849 20 0 EDADLP CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000856595188 596026675 /nfs/dbraw/zinc/02/66/75/596026675.db2.gz PYQZRJISMIZSQX-SFHVURJKSA-N 2 2 341.415 1.849 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000864520233 596253021 /nfs/dbraw/zinc/25/30/21/596253021.db2.gz OGTGYKBNBCUCAL-GIZXNFQBSA-N 2 2 333.432 1.421 20 0 EDADLP C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866574549 596255096 /nfs/dbraw/zinc/25/50/96/596255096.db2.gz WZHIWJVTJUPWBP-CYBMUJFWSA-N 2 2 336.461 1.838 20 0 EDADLP CC(C)CCc1noc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866710943 596304486 /nfs/dbraw/zinc/30/44/86/596304486.db2.gz YBIWQXWGNPPVGB-MJBXVCDLSA-N 2 2 349.435 1.025 20 0 EDADLP CC(C)CCc1noc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866710943 596304488 /nfs/dbraw/zinc/30/44/88/596304488.db2.gz YBIWQXWGNPPVGB-MJBXVCDLSA-N 2 2 349.435 1.025 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccccc1F ZINC000870861505 596380432 /nfs/dbraw/zinc/38/04/32/596380432.db2.gz ZYOGKONCXUWEMV-IPTNHLRFSA-N 2 2 328.391 1.892 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000870914877 596401870 /nfs/dbraw/zinc/40/18/70/596401870.db2.gz WOMPKWDVQIPEGK-CQSZACIVSA-N 2 2 330.407 1.864 20 0 EDADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864925069 596418001 /nfs/dbraw/zinc/41/80/01/596418001.db2.gz MUQVSCWBJOYYNU-TWGQIWQCSA-N 2 2 345.487 1.508 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](C)[NH2+]C3CC3)C2)cc1 ZINC000870978763 596425772 /nfs/dbraw/zinc/42/57/72/596425772.db2.gz BGKSJHLZFANNTN-MAUKXSAKSA-N 2 2 331.460 1.453 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](C)[NH2+]C3CC3)C2)cc1 ZINC000870978763 596425775 /nfs/dbraw/zinc/42/57/75/596425775.db2.gz BGKSJHLZFANNTN-MAUKXSAKSA-N 2 2 331.460 1.453 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)CC1 ZINC000870982058 596429410 /nfs/dbraw/zinc/42/94/10/596429410.db2.gz WSEYKBFDNGORIT-SFHVURJKSA-N 2 2 348.466 1.106 20 0 EDADLP CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)CCC[NH+](C)C ZINC000867679620 596492057 /nfs/dbraw/zinc/49/20/57/596492057.db2.gz FUELCGJNRJERGH-UHFFFAOYSA-N 2 2 329.466 1.596 20 0 EDADLP CC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000865181602 596504394 /nfs/dbraw/zinc/50/43/94/596504394.db2.gz DSTKUDMIBWUELF-INIZCTEOSA-N 2 2 328.416 1.566 20 0 EDADLP CC1(C)CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000865181602 596504396 /nfs/dbraw/zinc/50/43/96/596504396.db2.gz DSTKUDMIBWUELF-INIZCTEOSA-N 2 2 328.416 1.566 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000871281176 596520650 /nfs/dbraw/zinc/52/06/50/596520650.db2.gz RVXFYUMNUHQMHE-KRWDZBQOSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CC2)C1 ZINC000871281176 596520651 /nfs/dbraw/zinc/52/06/51/596520651.db2.gz RVXFYUMNUHQMHE-KRWDZBQOSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000871281426 596522008 /nfs/dbraw/zinc/52/20/08/596522008.db2.gz XRUWNLVJXODBRF-GOSISDBHSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000871281426 596522011 /nfs/dbraw/zinc/52/20/11/596522011.db2.gz XRUWNLVJXODBRF-GOSISDBHSA-N 2 2 342.443 1.517 20 0 EDADLP COCC[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)NC(=O)OC(C)(C)C ZINC000865573685 596615726 /nfs/dbraw/zinc/61/57/26/596615726.db2.gz KEVOPJNAQDRIHN-STQMWFEESA-N 2 2 338.452 1.786 20 0 EDADLP COCC[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)NC(=O)OC(C)(C)C ZINC000865573685 596615727 /nfs/dbraw/zinc/61/57/27/596615727.db2.gz KEVOPJNAQDRIHN-STQMWFEESA-N 2 2 338.452 1.786 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865632318 596633010 /nfs/dbraw/zinc/63/30/10/596633010.db2.gz OFFOOWTUKMNGSW-LBPRGKRZSA-N 2 2 348.838 1.481 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865632318 596633013 /nfs/dbraw/zinc/63/30/13/596633013.db2.gz OFFOOWTUKMNGSW-LBPRGKRZSA-N 2 2 348.838 1.481 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000865659297 596641610 /nfs/dbraw/zinc/64/16/10/596641610.db2.gz LKOLMAAQKDOCSM-YTQUADARSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000865659297 596641613 /nfs/dbraw/zinc/64/16/13/596641613.db2.gz LKOLMAAQKDOCSM-YTQUADARSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659297 596641616 /nfs/dbraw/zinc/64/16/16/596641616.db2.gz LKOLMAAQKDOCSM-YTQUADARSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659297 596641618 /nfs/dbraw/zinc/64/16/18/596641618.db2.gz LKOLMAAQKDOCSM-YTQUADARSA-N 2 2 331.504 1.942 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865686627 596650704 /nfs/dbraw/zinc/65/07/04/596650704.db2.gz GEHVDTQADDZRJY-AWEZNQCLSA-N 2 2 333.423 1.144 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865686627 596650706 /nfs/dbraw/zinc/65/07/06/596650706.db2.gz GEHVDTQADDZRJY-AWEZNQCLSA-N 2 2 333.423 1.144 20 0 EDADLP C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000868005679 596652130 /nfs/dbraw/zinc/65/21/30/596652130.db2.gz UDBBQTIMLVZLQE-OAHLLOKOSA-N 2 2 331.460 1.637 20 0 EDADLP O=C1NCCN1Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000865815101 596694779 /nfs/dbraw/zinc/69/47/79/596694779.db2.gz UPZLNACCBQLCFS-UHFFFAOYSA-N 2 2 325.416 1.644 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000863947988 596724402 /nfs/dbraw/zinc/72/44/02/596724402.db2.gz YYRQMEWPELUVRY-CRAIPNDOSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000863947988 596724404 /nfs/dbraw/zinc/72/44/04/596724404.db2.gz YYRQMEWPELUVRY-CRAIPNDOSA-N 2 2 326.444 1.989 20 0 EDADLP Cn1ncc(I)c1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000864055604 596746756 /nfs/dbraw/zinc/74/67/56/596746756.db2.gz UABAMKWCRAXDPL-MNOVXSKESA-N 2 2 346.216 1.384 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c(C)[nH+]1 ZINC000868312449 596784503 /nfs/dbraw/zinc/78/45/03/596784503.db2.gz RPKPFTXHQGENBK-GOSISDBHSA-N 2 2 332.448 1.860 20 0 EDADLP CN1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)Cc2ccc[nH+]c21 ZINC000868368980 596807773 /nfs/dbraw/zinc/80/77/73/596807773.db2.gz PECNMGXPJPHZNC-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP CN1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)Cc2ccc[nH+]c21 ZINC000868368980 596807775 /nfs/dbraw/zinc/80/77/75/596807775.db2.gz PECNMGXPJPHZNC-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000872148223 596811732 /nfs/dbraw/zinc/81/17/32/596811732.db2.gz OMYQSLQDLPPJNH-TZMCWYRMSA-N 2 2 347.356 1.553 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000872148223 596811735 /nfs/dbraw/zinc/81/17/35/596811735.db2.gz OMYQSLQDLPPJNH-TZMCWYRMSA-N 2 2 347.356 1.553 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@@H]1C(F)(F)F ZINC000872148265 596811747 /nfs/dbraw/zinc/81/17/47/596811747.db2.gz IRCICYXUGBKCOY-FZMZJTMJSA-N 2 2 333.398 1.989 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@@H]1C(F)(F)F ZINC000872148265 596811751 /nfs/dbraw/zinc/81/17/51/596811751.db2.gz IRCICYXUGBKCOY-FZMZJTMJSA-N 2 2 333.398 1.989 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)NCCCOc1ccccc1F)C2 ZINC000872153246 596814342 /nfs/dbraw/zinc/81/43/42/596814342.db2.gz DIZMKTNNTGSQTB-KBXCAEBGSA-N 2 2 335.423 1.252 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)NCCCOc1ccccc1F)C2 ZINC000872153246 596814344 /nfs/dbraw/zinc/81/43/44/596814344.db2.gz DIZMKTNNTGSQTB-KBXCAEBGSA-N 2 2 335.423 1.252 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCN(C)c3[nH+]cccc3C2)C[N@@H+]1C1CC1 ZINC000868383507 596814514 /nfs/dbraw/zinc/81/45/14/596814514.db2.gz VJLZSGRYYUJSOK-HIFRSBDPSA-N 2 2 329.448 1.668 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCN(C)c3[nH+]cccc3C2)C[N@H+]1C1CC1 ZINC000868383507 596814516 /nfs/dbraw/zinc/81/45/16/596814516.db2.gz VJLZSGRYYUJSOK-HIFRSBDPSA-N 2 2 329.448 1.668 20 0 EDADLP CCNc1nc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000866205834 596826805 /nfs/dbraw/zinc/82/68/05/596826805.db2.gz ARHWDXGUAMTUFQ-CHWSQXEVSA-N 2 2 333.484 1.466 20 0 EDADLP CCNc1nc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000866205834 596826808 /nfs/dbraw/zinc/82/68/08/596826808.db2.gz ARHWDXGUAMTUFQ-CHWSQXEVSA-N 2 2 333.484 1.466 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000866205834 596826811 /nfs/dbraw/zinc/82/68/11/596826811.db2.gz ARHWDXGUAMTUFQ-CHWSQXEVSA-N 2 2 333.484 1.466 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)[nH+]1 ZINC000866205834 596826814 /nfs/dbraw/zinc/82/68/14/596826814.db2.gz ARHWDXGUAMTUFQ-CHWSQXEVSA-N 2 2 333.484 1.466 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000866205834 596826817 /nfs/dbraw/zinc/82/68/17/596826817.db2.gz ARHWDXGUAMTUFQ-CHWSQXEVSA-N 2 2 333.484 1.466 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)n1 ZINC000866205834 596826819 /nfs/dbraw/zinc/82/68/19/596826819.db2.gz ARHWDXGUAMTUFQ-CHWSQXEVSA-N 2 2 333.484 1.466 20 0 EDADLP CC(C)(C)[S@@](=O)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872202124 596833662 /nfs/dbraw/zinc/83/36/62/596833662.db2.gz VFWKJDZXUQCWAP-MBSDFSHPSA-N 2 2 338.517 1.760 20 0 EDADLP CC(C)(C)[S@@](=O)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872202124 596833664 /nfs/dbraw/zinc/83/36/64/596833664.db2.gz VFWKJDZXUQCWAP-MBSDFSHPSA-N 2 2 338.517 1.760 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872226568 596843743 /nfs/dbraw/zinc/84/37/43/596843743.db2.gz OFBZMPCZPXRLII-WOJBJXKFSA-N 2 2 347.503 1.242 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872226568 596843747 /nfs/dbraw/zinc/84/37/47/596843747.db2.gz OFBZMPCZPXRLII-WOJBJXKFSA-N 2 2 347.503 1.242 20 0 EDADLP Cc1ccccc1CN1CCO[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872226568 596843751 /nfs/dbraw/zinc/84/37/51/596843751.db2.gz OFBZMPCZPXRLII-WOJBJXKFSA-N 2 2 347.503 1.242 20 0 EDADLP CCC(CC)Nc1cc[nH+]cc1NC(=O)C=CC[NH+]1CCOCC1 ZINC000868495181 596861508 /nfs/dbraw/zinc/86/15/08/596861508.db2.gz VMBWFBAPXIPXHR-WAYWQWQTSA-N 2 2 332.448 1.931 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C)c3[nH+]cccc3C1)CC2 ZINC000872311480 596877817 /nfs/dbraw/zinc/87/78/17/596877817.db2.gz NRPAHNGKUBSFHQ-HNNXBMFYSA-N 2 2 325.416 1.628 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000866471670 596891252 /nfs/dbraw/zinc/89/12/52/596891252.db2.gz UHKBKJJAVYXCFV-UHFFFAOYSA-N 2 2 349.460 1.173 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cccc3c2CCOC3)CC1 ZINC000866478644 596891859 /nfs/dbraw/zinc/89/18/59/596891859.db2.gz JTFWBILXUNIHEG-UHFFFAOYSA-N 2 2 331.460 1.402 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c2[nH+]ccn21 ZINC000875646467 596932133 /nfs/dbraw/zinc/93/21/33/596932133.db2.gz VIJRBSSBWVSKGD-CABCVRRESA-N 2 2 347.463 1.643 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000875708095 596954708 /nfs/dbraw/zinc/95/47/08/596954708.db2.gz YFUYUCIBSRFXKO-IKGGRYGDSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000875708095 596954710 /nfs/dbraw/zinc/95/47/10/596954710.db2.gz YFUYUCIBSRFXKO-IKGGRYGDSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000875708095 596954712 /nfs/dbraw/zinc/95/47/12/596954712.db2.gz YFUYUCIBSRFXKO-IKGGRYGDSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000875708095 596954717 /nfs/dbraw/zinc/95/47/17/596954717.db2.gz YFUYUCIBSRFXKO-IKGGRYGDSA-N 2 2 338.496 1.413 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000874253555 596987077 /nfs/dbraw/zinc/98/70/77/596987077.db2.gz RVYRWXODKYSDQP-AGIUHOORSA-N 2 2 346.353 1.356 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000874253555 596987080 /nfs/dbraw/zinc/98/70/80/596987080.db2.gz RVYRWXODKYSDQP-AGIUHOORSA-N 2 2 346.353 1.356 20 0 EDADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000875863069 597014913 /nfs/dbraw/zinc/01/49/13/597014913.db2.gz BXVRRYUOVTYIGX-GOSISDBHSA-N 2 2 348.491 1.133 20 0 EDADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000875863069 597014917 /nfs/dbraw/zinc/01/49/17/597014917.db2.gz BXVRRYUOVTYIGX-GOSISDBHSA-N 2 2 348.491 1.133 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876108842 597093376 /nfs/dbraw/zinc/09/33/76/597093376.db2.gz YILSCIMBFVNTEL-PQUAAJSLSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876108842 597093377 /nfs/dbraw/zinc/09/33/77/597093377.db2.gz YILSCIMBFVNTEL-PQUAAJSLSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000874706930 597151327 /nfs/dbraw/zinc/15/13/27/597151327.db2.gz BBQJYROAQHJZPP-LJQANCHMSA-N 2 2 345.487 1.662 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000874706930 597151329 /nfs/dbraw/zinc/15/13/29/597151329.db2.gz BBQJYROAQHJZPP-LJQANCHMSA-N 2 2 345.487 1.662 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000874706930 597151331 /nfs/dbraw/zinc/15/13/31/597151331.db2.gz BBQJYROAQHJZPP-LJQANCHMSA-N 2 2 345.487 1.662 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000874706930 597151334 /nfs/dbraw/zinc/15/13/34/597151334.db2.gz BBQJYROAQHJZPP-LJQANCHMSA-N 2 2 345.487 1.662 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000874707422 597152430 /nfs/dbraw/zinc/15/24/30/597152430.db2.gz ARISKZQNDAXCQN-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000874707422 597152431 /nfs/dbraw/zinc/15/24/31/597152431.db2.gz ARISKZQNDAXCQN-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000874707422 597152433 /nfs/dbraw/zinc/15/24/33/597152433.db2.gz ARISKZQNDAXCQN-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000874707422 597152435 /nfs/dbraw/zinc/15/24/35/597152435.db2.gz ARISKZQNDAXCQN-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccsc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000876542685 597234234 /nfs/dbraw/zinc/23/42/34/597234234.db2.gz RPYUBHXSLWXCOV-VUDBWIFFSA-N 2 2 333.379 1.881 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccsc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000876542685 597234238 /nfs/dbraw/zinc/23/42/38/597234238.db2.gz RPYUBHXSLWXCOV-VUDBWIFFSA-N 2 2 333.379 1.881 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000875174580 597315021 /nfs/dbraw/zinc/31/50/21/597315021.db2.gz YQHOYEJYEHHGTE-KRWDZBQOSA-N 2 2 346.475 1.147 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000875174580 597315025 /nfs/dbraw/zinc/31/50/25/597315025.db2.gz YQHOYEJYEHHGTE-KRWDZBQOSA-N 2 2 346.475 1.147 20 0 EDADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000876741381 597316999 /nfs/dbraw/zinc/31/69/99/597316999.db2.gz IWZWOCIKWKOPSN-MRXNPFEDSA-N 2 2 342.447 1.790 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H]2c3ccccc3C[NH+]2C)CCO1 ZINC000875194060 597324343 /nfs/dbraw/zinc/32/43/43/597324343.db2.gz HGBDTXGONKUVRD-YOEHRIQHSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2c3ccccc3C[NH+]2C)CCO1 ZINC000875194060 597324347 /nfs/dbraw/zinc/32/43/47/597324347.db2.gz HGBDTXGONKUVRD-YOEHRIQHSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CCO1 ZINC000875194060 597324351 /nfs/dbraw/zinc/32/43/51/597324351.db2.gz HGBDTXGONKUVRD-YOEHRIQHSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CCO1 ZINC000875194060 597324356 /nfs/dbraw/zinc/32/43/56/597324356.db2.gz HGBDTXGONKUVRD-YOEHRIQHSA-N 2 2 332.448 1.193 20 0 EDADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876972208 597402107 /nfs/dbraw/zinc/40/21/07/597402107.db2.gz RKDFGZVDAOZQJE-DOGOWXIXSA-N 3 2 334.508 1.025 20 0 EDADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876972208 597402108 /nfs/dbraw/zinc/40/21/08/597402108.db2.gz RKDFGZVDAOZQJE-DOGOWXIXSA-N 3 2 334.508 1.025 20 0 EDADLP COCC(C)(C)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000875428284 597424709 /nfs/dbraw/zinc/42/47/09/597424709.db2.gz GXTBQPJLOZREBO-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000875492329 597451628 /nfs/dbraw/zinc/45/16/28/597451628.db2.gz IZDDWAYIWGITNE-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000875492329 597451631 /nfs/dbraw/zinc/45/16/31/597451631.db2.gz IZDDWAYIWGITNE-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3c[nH+]ccc3N)C2)cc1 ZINC000877248309 597478933 /nfs/dbraw/zinc/47/89/33/597478933.db2.gz JVEOXDDIMWUDES-INIZCTEOSA-N 2 2 340.427 1.433 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3c[nH+]ccc3N)C2)cc1 ZINC000877248309 597478934 /nfs/dbraw/zinc/47/89/34/597478934.db2.gz JVEOXDDIMWUDES-INIZCTEOSA-N 2 2 340.427 1.433 20 0 EDADLP CC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCC[NH2+]1 ZINC000877248382 597479044 /nfs/dbraw/zinc/47/90/44/597479044.db2.gz LHXFCHVUCPYMOR-UYAOXDASSA-N 2 2 345.487 1.844 20 0 EDADLP CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCC[NH2+]1 ZINC000877248382 597479045 /nfs/dbraw/zinc/47/90/45/597479045.db2.gz LHXFCHVUCPYMOR-UYAOXDASSA-N 2 2 345.487 1.844 20 0 EDADLP CCOC(=O)c1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)on1 ZINC000877746293 597552642 /nfs/dbraw/zinc/55/26/42/597552642.db2.gz LARLQJWMNJSQNJ-UHFFFAOYSA-N 2 2 336.436 1.063 20 0 EDADLP COc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc(OC)c1O ZINC000877746614 597552664 /nfs/dbraw/zinc/55/26/64/597552664.db2.gz TZIDSBBDPXQJRE-UHFFFAOYSA-N 2 2 349.475 1.621 20 0 EDADLP COCCc1ncc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)s1 ZINC000877746992 597552885 /nfs/dbraw/zinc/55/28/85/597552885.db2.gz QQZDEALRKZRLSW-UHFFFAOYSA-N 2 2 338.521 1.544 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1)C(F)(F)F ZINC000877778393 597555562 /nfs/dbraw/zinc/55/55/62/597555562.db2.gz ODSFWFNHIVTQQA-UHFFFAOYSA-N 2 2 338.333 1.983 20 0 EDADLP CCc1ccc(N2CC[NH+](CC(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000878149267 597582186 /nfs/dbraw/zinc/58/21/86/597582186.db2.gz MNDKPMBQSOTKBP-UHFFFAOYSA-N 2 2 344.503 1.581 20 0 EDADLP C[NH+]1CC[C@@H]2C[NH+](CCCC[NH+]3CC[C@@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879578555 597640889 /nfs/dbraw/zinc/64/08/89/597640889.db2.gz UOAUPVGTUXSCLT-UAFMIMERSA-N 4 2 334.552 1.819 20 0 EDADLP C[NH+]1CC[C@@H]2C[NH+](CCCC[NH+]3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879578555 597640890 /nfs/dbraw/zinc/64/08/90/597640890.db2.gz UOAUPVGTUXSCLT-UAFMIMERSA-N 4 2 334.552 1.819 20 0 EDADLP C[NH+]1CC[C@@H]2C[NH+](CCCC[N@@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)CC[C@H]21 ZINC000879578555 597640891 /nfs/dbraw/zinc/64/08/91/597640891.db2.gz UOAUPVGTUXSCLT-UAFMIMERSA-N 4 2 334.552 1.819 20 0 EDADLP C[NH+]1CC[C@@H]2C[NH+](CCCC[N@H+]3CC[C@@H]4[C@H](CC[NH+]4C)C3)CC[C@H]21 ZINC000879578555 597640893 /nfs/dbraw/zinc/64/08/93/597640893.db2.gz UOAUPVGTUXSCLT-UAFMIMERSA-N 4 2 334.552 1.819 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592056 597649108 /nfs/dbraw/zinc/64/91/08/597649108.db2.gz WMIQNPOBPDFETE-MRXNPFEDSA-N 2 2 330.476 1.725 20 0 EDADLP COC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CCCOC1 ZINC000883187757 597681410 /nfs/dbraw/zinc/68/14/10/597681410.db2.gz VJKFJPWULSMXRQ-WBVHZDCISA-N 2 2 328.497 1.907 20 0 EDADLP CC1(C)CC[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)OC1 ZINC000883249352 597693898 /nfs/dbraw/zinc/69/38/98/597693898.db2.gz CYKOKSYVJASILJ-GOSISDBHSA-N 2 2 339.524 1.578 20 0 EDADLP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)OC1 ZINC000883249352 597693901 /nfs/dbraw/zinc/69/39/01/597693901.db2.gz CYKOKSYVJASILJ-GOSISDBHSA-N 2 2 339.524 1.578 20 0 EDADLP c1nn2ccccc2c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371796 597726436 /nfs/dbraw/zinc/72/64/36/597726436.db2.gz AJXTWXCALYYCLJ-GOSISDBHSA-N 2 2 343.475 1.221 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CF)C3)C2)CC1 ZINC000883417014 597739307 /nfs/dbraw/zinc/73/93/07/597739307.db2.gz LPJZVNMKVZXCRY-HUUCEWRRSA-N 2 2 326.460 1.546 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](CF)C3)C2)CC1 ZINC000883417014 597739308 /nfs/dbraw/zinc/73/93/08/597739308.db2.gz LPJZVNMKVZXCRY-HUUCEWRRSA-N 2 2 326.460 1.546 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880133001 597850428 /nfs/dbraw/zinc/85/04/28/597850428.db2.gz RWCKVGALVGLWII-HZPDHXFCSA-N 2 2 330.432 1.893 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880133001 597850429 /nfs/dbraw/zinc/85/04/29/597850429.db2.gz RWCKVGALVGLWII-HZPDHXFCSA-N 2 2 330.432 1.893 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880133001 597850432 /nfs/dbraw/zinc/85/04/32/597850432.db2.gz RWCKVGALVGLWII-HZPDHXFCSA-N 2 2 330.432 1.893 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880133001 597850434 /nfs/dbraw/zinc/85/04/34/597850434.db2.gz RWCKVGALVGLWII-HZPDHXFCSA-N 2 2 330.432 1.893 20 0 EDADLP CO[C@H]1CC[C@@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000879318918 597885230 /nfs/dbraw/zinc/88/52/30/597885230.db2.gz PQEVZVPFYRYMQE-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CO[C@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000879318918 597885232 /nfs/dbraw/zinc/88/52/32/597885232.db2.gz PQEVZVPFYRYMQE-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260467 597885576 /nfs/dbraw/zinc/88/55/76/597885576.db2.gz CMRGPZKASZERRX-INMHGKMJSA-N 2 2 332.448 1.276 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260467 597885580 /nfs/dbraw/zinc/88/55/80/597885580.db2.gz CMRGPZKASZERRX-INMHGKMJSA-N 2 2 332.448 1.276 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000884206476 598028477 /nfs/dbraw/zinc/02/84/77/598028477.db2.gz WFFHMIOVGBTCKA-UHFFFAOYSA-N 2 2 328.416 1.959 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000882955950 598115673 /nfs/dbraw/zinc/11/56/73/598115673.db2.gz WJDSWCOMQBWCRS-CQSZACIVSA-N 2 2 347.415 1.418 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000882955950 598115674 /nfs/dbraw/zinc/11/56/74/598115674.db2.gz WJDSWCOMQBWCRS-CQSZACIVSA-N 2 2 347.415 1.418 20 0 EDADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000738421159 599483486 /nfs/dbraw/zinc/48/34/86/599483486.db2.gz PPUKYDUKXPNMDY-UHFFFAOYSA-N 2 2 338.419 1.231 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031034291 695240343 /nfs/dbraw/zinc/24/03/43/695240343.db2.gz NCUDRFKMSPTNOX-INIZCTEOSA-N 2 2 334.464 1.766 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031034431 695240616 /nfs/dbraw/zinc/24/06/16/695240616.db2.gz RMVNIYQMWJXUPF-QGZVFWFLSA-N 2 2 348.491 1.748 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031050139 695383241 /nfs/dbraw/zinc/38/32/41/695383241.db2.gz CBFUSQBKELKDDS-SJORKVTESA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031050139 695383242 /nfs/dbraw/zinc/38/32/42/695383242.db2.gz CBFUSQBKELKDDS-SJORKVTESA-N 2 2 337.508 1.865 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC000992837307 695396434 /nfs/dbraw/zinc/39/64/34/695396434.db2.gz QLLNVVLXAZEQHS-AEGPPILISA-N 2 2 344.419 1.061 20 0 EDADLP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992867769 695414351 /nfs/dbraw/zinc/41/43/51/695414351.db2.gz YISGGDZKBDJYLF-NUEKZKHPSA-N 2 2 342.447 1.103 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnon3)[C@@H]2C1 ZINC000992875215 695424814 /nfs/dbraw/zinc/42/48/14/695424814.db2.gz RPMAWRYWYWHEMU-NWANDNLSSA-N 2 2 344.419 1.061 20 0 EDADLP Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992922805 695455737 /nfs/dbraw/zinc/45/57/37/695455737.db2.gz HZCWVAZSHVTWTI-OWCLPIDISA-N 2 2 342.447 1.034 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ncccn3)[C@H]2C1 ZINC000992928051 695458614 /nfs/dbraw/zinc/45/86/14/695458614.db2.gz ZOAKFBSPEBXNLG-JYJNAYRXSA-N 2 2 340.431 1.090 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ncccn3)[C@H]2C1 ZINC000992928048 695458709 /nfs/dbraw/zinc/45/87/09/695458709.db2.gz ZOAKFBSPEBXNLG-HRCADAONSA-N 2 2 340.431 1.090 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CCC[N@@H+]1CCCO ZINC000993329877 695984745 /nfs/dbraw/zinc/98/47/45/695984745.db2.gz CQHUHVCKJFPCFV-ZBFHGGJFSA-N 2 2 334.464 1.113 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CCC[N@H+]1CCCO ZINC000993329877 695984747 /nfs/dbraw/zinc/98/47/47/695984747.db2.gz CQHUHVCKJFPCFV-ZBFHGGJFSA-N 2 2 334.464 1.113 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@H+](CCCO)[C@H]3C)ccn12 ZINC000993354606 696003143 /nfs/dbraw/zinc/00/31/43/696003143.db2.gz SFLDMYBINOZSAI-GOEBONIOSA-N 2 2 330.432 1.608 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@@H+](CCCO)[C@H]3C)ccn12 ZINC000993354606 696003145 /nfs/dbraw/zinc/00/31/45/696003145.db2.gz SFLDMYBINOZSAI-GOEBONIOSA-N 2 2 330.432 1.608 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC000993614854 696260227 /nfs/dbraw/zinc/26/02/27/696260227.db2.gz MUSFRUXNFNCAKX-PBHICJAKSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC000993614854 696260228 /nfs/dbraw/zinc/26/02/28/696260228.db2.gz MUSFRUXNFNCAKX-PBHICJAKSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC000993624930 696289248 /nfs/dbraw/zinc/28/92/48/696289248.db2.gz RRAFMKYCKNMVKP-CZUORRHYSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC000993624930 696289250 /nfs/dbraw/zinc/28/92/50/696289250.db2.gz RRAFMKYCKNMVKP-CZUORRHYSA-N 2 2 345.447 1.966 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@@H+]1Cc1cncn1C ZINC000993681354 696306271 /nfs/dbraw/zinc/30/62/71/696306271.db2.gz GRRRGHYTEFWFJB-WBVHZDCISA-N 2 2 347.507 1.764 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1Cc1cncn1C ZINC000993681354 696306274 /nfs/dbraw/zinc/30/62/74/696306274.db2.gz GRRRGHYTEFWFJB-WBVHZDCISA-N 2 2 347.507 1.764 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000916874603 696803995 /nfs/dbraw/zinc/80/39/95/696803995.db2.gz YPZWVJYMPOZREK-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000916874603 696803997 /nfs/dbraw/zinc/80/39/97/696803997.db2.gz YPZWVJYMPOZREK-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP COc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994413638 696839241 /nfs/dbraw/zinc/83/92/41/696839241.db2.gz WYCKIIUIRMMCFR-NVXWUHKLSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994413638 696839244 /nfs/dbraw/zinc/83/92/44/696839244.db2.gz WYCKIIUIRMMCFR-NVXWUHKLSA-N 2 2 346.475 1.655 20 0 EDADLP CCn1cc(CC[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cn1 ZINC000994503068 696940553 /nfs/dbraw/zinc/94/05/53/696940553.db2.gz FJWHEMLQBHCIQI-NVXWUHKLSA-N 2 2 344.463 1.311 20 0 EDADLP CCn1cc(CC[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cn1 ZINC000994503068 696940554 /nfs/dbraw/zinc/94/05/54/696940554.db2.gz FJWHEMLQBHCIQI-NVXWUHKLSA-N 2 2 344.463 1.311 20 0 EDADLP Cc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994508166 696946711 /nfs/dbraw/zinc/94/67/11/696946711.db2.gz PLKCRZKHSSETMA-DOTOQJQBSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994508166 696946716 /nfs/dbraw/zinc/94/67/16/696946716.db2.gz PLKCRZKHSSETMA-DOTOQJQBSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1cccnc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994510255 696954595 /nfs/dbraw/zinc/95/45/95/696954595.db2.gz UGACDJRKHDPBFB-CVEARBPZSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1cccnc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994510255 696954596 /nfs/dbraw/zinc/95/45/96/696954596.db2.gz UGACDJRKHDPBFB-CVEARBPZSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000917634011 697056046 /nfs/dbraw/zinc/05/60/46/697056046.db2.gz IDKQVHCAPFWOCT-GJZGRUSLSA-N 2 2 332.452 1.066 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000917634011 697056048 /nfs/dbraw/zinc/05/60/48/697056048.db2.gz IDKQVHCAPFWOCT-GJZGRUSLSA-N 2 2 332.452 1.066 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000352744747 697333360 /nfs/dbraw/zinc/33/33/60/697333360.db2.gz QMWFITLOWRPKPE-SFHVURJKSA-N 2 2 337.508 1.726 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000352744747 697333363 /nfs/dbraw/zinc/33/33/63/697333363.db2.gz QMWFITLOWRPKPE-SFHVURJKSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@@H+]1C ZINC000920405059 697426480 /nfs/dbraw/zinc/42/64/80/697426480.db2.gz RIEQCXOOOLONIZ-RYUDHWBXSA-N 2 2 325.482 1.487 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)CC[N@H+]1C ZINC000920405059 697426482 /nfs/dbraw/zinc/42/64/82/697426482.db2.gz RIEQCXOOOLONIZ-RYUDHWBXSA-N 2 2 325.482 1.487 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031665582 697445555 /nfs/dbraw/zinc/44/55/55/697445555.db2.gz AYOWFPKZPJDMFY-QGZVFWFLSA-N 2 2 334.439 1.642 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031665582 697445557 /nfs/dbraw/zinc/44/55/57/697445557.db2.gz AYOWFPKZPJDMFY-QGZVFWFLSA-N 2 2 334.439 1.642 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668211 697459744 /nfs/dbraw/zinc/45/97/44/697459744.db2.gz AEBVZGDHLLCCBN-LSDHHAIUSA-N 2 2 349.504 1.269 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668211 697459745 /nfs/dbraw/zinc/45/97/45/697459745.db2.gz AEBVZGDHLLCCBN-LSDHHAIUSA-N 2 2 349.504 1.269 20 0 EDADLP CC1([NH2+]Cc2ccns2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083745 700178090 /nfs/dbraw/zinc/17/80/90/700178090.db2.gz VPWYGQYKRMPKGV-UHFFFAOYSA-N 2 2 333.461 1.970 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943514455 698428183 /nfs/dbraw/zinc/42/81/83/698428183.db2.gz CPMXMOCIXSXQOI-WBVHZDCISA-N 2 2 344.459 1.658 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943514455 698428184 /nfs/dbraw/zinc/42/81/84/698428184.db2.gz CPMXMOCIXSXQOI-WBVHZDCISA-N 2 2 344.459 1.658 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)o1 ZINC000943766604 698818736 /nfs/dbraw/zinc/81/87/36/698818736.db2.gz LNLPCPJSIPWNNW-BXUZGUMPSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)o1 ZINC000943766604 698818741 /nfs/dbraw/zinc/81/87/41/698818741.db2.gz LNLPCPJSIPWNNW-BXUZGUMPSA-N 2 2 331.420 1.584 20 0 EDADLP COc1nscc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995157593 701565024 /nfs/dbraw/zinc/56/50/24/701565024.db2.gz ZKXJQYWKEWOPPB-WCQYABFASA-N 2 2 349.460 1.492 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c(C)s1 ZINC001031777144 699162306 /nfs/dbraw/zinc/16/23/06/699162306.db2.gz WQEQHCGDVJUWBF-INIZCTEOSA-N 2 2 336.505 1.792 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(C)s1 ZINC001031777144 699162308 /nfs/dbraw/zinc/16/23/08/699162308.db2.gz WQEQHCGDVJUWBF-INIZCTEOSA-N 2 2 336.505 1.792 20 0 EDADLP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001031782712 699191723 /nfs/dbraw/zinc/19/17/23/699191723.db2.gz KEHIAUPAXHZRCC-KRWDZBQOSA-N 2 2 346.475 1.310 20 0 EDADLP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1)C1CCC1 ZINC001031783213 699208952 /nfs/dbraw/zinc/20/89/52/699208952.db2.gz UQEGWFVHPKLVDO-IRXDYDNUSA-N 2 2 346.475 1.309 20 0 EDADLP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1)C1CCC1 ZINC001031784053 699213832 /nfs/dbraw/zinc/21/38/32/699213832.db2.gz LEVKCBSKBAMRQV-WMZOPIPTSA-N 2 2 346.475 1.309 20 0 EDADLP Cc1ncoc1C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001031800633 699319831 /nfs/dbraw/zinc/31/98/31/699319831.db2.gz XGUIMNHVAYFHNA-UHFFFAOYSA-N 2 2 339.399 1.801 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939210446 699358147 /nfs/dbraw/zinc/35/81/47/699358147.db2.gz OLLJOOXKIKCGDO-BLLLJJGKSA-N 2 2 346.406 1.737 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000939211702 699360012 /nfs/dbraw/zinc/36/00/12/699360012.db2.gz VFDDXSDQAHNVGH-JOYOIKCWSA-N 2 2 339.852 1.699 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)cn1 ZINC001031806963 699413786 /nfs/dbraw/zinc/41/37/86/699413786.db2.gz WNNCICSBFBUCIL-SFHVURJKSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)cn1 ZINC001031806963 699413789 /nfs/dbraw/zinc/41/37/89/699413789.db2.gz WNNCICSBFBUCIL-SFHVURJKSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000995162649 701592160 /nfs/dbraw/zinc/59/21/60/701592160.db2.gz ULMZDVNURYUKLY-HUUCEWRRSA-N 2 2 345.447 1.642 20 0 EDADLP C[C@@H](c1cnccn1)[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031816892 699518327 /nfs/dbraw/zinc/51/83/27/699518327.db2.gz KMPHVPBOLNSBRS-ZDUSSCGKSA-N 2 2 336.399 1.547 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)sn1 ZINC001031817760 699535266 /nfs/dbraw/zinc/53/52/66/699535266.db2.gz SOKUEKJBLNECIM-UHFFFAOYSA-N 2 2 341.440 1.961 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)c1C ZINC000939401585 699550799 /nfs/dbraw/zinc/55/07/99/699550799.db2.gz URPVZWZZYONZNI-BBRMVZONSA-N 2 2 342.443 1.906 20 0 EDADLP COCc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)c1 ZINC000939409917 699564224 /nfs/dbraw/zinc/56/42/24/699564224.db2.gz XHCAFTNOHVZCOA-WMLDXEAASA-N 2 2 342.443 1.735 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939533721 699671775 /nfs/dbraw/zinc/67/17/75/699671775.db2.gz DTUGFQDOADFVCC-BDJLRTHQSA-N 2 2 347.488 1.673 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cn1 ZINC000939534113 699672412 /nfs/dbraw/zinc/67/24/12/699672412.db2.gz HSVJYKFIJBOOEN-BBRMVZONSA-N 2 2 343.431 1.003 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)o1 ZINC000939535634 699676447 /nfs/dbraw/zinc/67/64/47/699676447.db2.gz RCIWLHCGHJZJAW-IAQYHMDHSA-N 2 2 331.420 1.204 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000939535880 699676907 /nfs/dbraw/zinc/67/69/07/699676907.db2.gz SHJDABVJFDTORU-SUMWQHHRSA-N 2 2 330.407 1.738 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)cn1 ZINC000939539026 699679844 /nfs/dbraw/zinc/67/98/44/699679844.db2.gz AOGLWDKVBGTUEJ-DOMZBBRYSA-N 2 2 342.447 1.422 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)cn1 ZINC000939542305 699683280 /nfs/dbraw/zinc/68/32/80/699683280.db2.gz VZKURLUCWGZKQD-IUODEOHRSA-N 2 2 342.447 1.422 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000939627722 699765305 /nfs/dbraw/zinc/76/53/05/699765305.db2.gz VERPVXXJAMAACI-IINYFYTJSA-N 2 2 326.391 1.742 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939642114 699771524 /nfs/dbraw/zinc/77/15/24/699771524.db2.gz HQAZQXXTLJURMM-WFASDCNBSA-N 2 2 340.418 1.835 20 0 EDADLP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940242994 700403952 /nfs/dbraw/zinc/40/39/52/700403952.db2.gz CCGZBFVRKMWWPG-UHFFFAOYSA-N 2 2 345.447 1.995 20 0 EDADLP COc1cc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)on1 ZINC000940243600 700405367 /nfs/dbraw/zinc/40/53/67/700405367.db2.gz YSQNVPQERDXAJE-UHFFFAOYSA-N 2 2 347.419 1.441 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031967755 701653110 /nfs/dbraw/zinc/65/31/10/701653110.db2.gz CPZAHDYRSJNHRH-JKSUJKDBSA-N 2 2 346.475 1.837 20 0 EDADLP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)n1 ZINC000940357575 700523849 /nfs/dbraw/zinc/52/38/49/700523849.db2.gz IGHGXWPTDKIGIO-CYBMUJFWSA-N 2 2 346.435 1.697 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940371048 700553481 /nfs/dbraw/zinc/55/34/81/700553481.db2.gz IKQWUOSKCOJXSI-GJZGRUSLSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940371048 700553485 /nfs/dbraw/zinc/55/34/85/700553485.db2.gz IKQWUOSKCOJXSI-GJZGRUSLSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940371615 700554211 /nfs/dbraw/zinc/55/42/11/700554211.db2.gz QJKQCZYJQODFEM-CQSZACIVSA-N 2 2 344.463 1.493 20 0 EDADLP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1)C1CCC1 ZINC001031968427 701654500 /nfs/dbraw/zinc/65/45/00/701654500.db2.gz WAKDIAFERMTOHW-WBVHZDCISA-N 2 2 346.475 1.693 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000940441720 700643496 /nfs/dbraw/zinc/64/34/96/700643496.db2.gz QIVVJRZGDBCJOE-HNNXBMFYSA-N 2 2 334.464 1.800 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]cn3C)CC2)o1 ZINC000940445454 700647548 /nfs/dbraw/zinc/64/75/48/700647548.db2.gz SVCZHZMDHOPTHD-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccns2)CC1(C)C ZINC000940624812 700786380 /nfs/dbraw/zinc/78/63/80/700786380.db2.gz KCUBJUVNTLYLPY-HUUCEWRRSA-N 2 2 336.505 1.954 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccns2)CC1(C)C ZINC000940624812 700786381 /nfs/dbraw/zinc/78/63/81/700786381.db2.gz KCUBJUVNTLYLPY-HUUCEWRRSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccns2)CC1(C)C ZINC000940624812 700786382 /nfs/dbraw/zinc/78/63/82/700786382.db2.gz KCUBJUVNTLYLPY-HUUCEWRRSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)CC1(C)C ZINC000940624812 700786383 /nfs/dbraw/zinc/78/63/83/700786383.db2.gz KCUBJUVNTLYLPY-HUUCEWRRSA-N 2 2 336.505 1.954 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757286 700892319 /nfs/dbraw/zinc/89/23/19/700892319.db2.gz YMSMKEUWOWMWIB-IIAWOOMASA-N 2 2 349.479 1.435 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757286 700892321 /nfs/dbraw/zinc/89/23/21/700892321.db2.gz YMSMKEUWOWMWIB-IIAWOOMASA-N 2 2 349.479 1.435 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757286 700892323 /nfs/dbraw/zinc/89/23/23/700892323.db2.gz YMSMKEUWOWMWIB-IIAWOOMASA-N 2 2 349.479 1.435 20 0 EDADLP 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YMHZJTFXIMKRIW-GDBMZVCRSA-N 2 2 342.447 1.317 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996729928 703026932 /nfs/dbraw/zinc/02/69/32/703026932.db2.gz HTCYSEDNNPMGKV-ZDUSSCGKSA-N 2 2 329.404 1.214 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996755520 703044194 /nfs/dbraw/zinc/04/41/94/703044194.db2.gz GHCODGGHQOBDIH-AWEZNQCLSA-N 2 2 340.431 1.016 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001032027489 703049884 /nfs/dbraw/zinc/04/98/84/703049884.db2.gz SUXHAGANPMDQCW-QAPCUYQASA-N 2 2 345.491 1.849 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001032027489 703049888 /nfs/dbraw/zinc/04/98/88/703049888.db2.gz SUXHAGANPMDQCW-QAPCUYQASA-N 2 2 345.491 1.849 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996763849 703056000 /nfs/dbraw/zinc/05/60/00/703056000.db2.gz ZIKUSLKFGBKNOX-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC000996800655 703086770 /nfs/dbraw/zinc/08/67/70/703086770.db2.gz HCWNPZQGGASCFZ-LBPRGKRZSA-N 2 2 332.408 1.225 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)CCO1 ZINC000996834399 703122431 /nfs/dbraw/zinc/12/24/31/703122431.db2.gz OCUDKBZDKKKHBZ-CVEARBPZSA-N 2 2 348.491 1.748 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000996858334 703142530 /nfs/dbraw/zinc/14/25/30/703142530.db2.gz HBAPYTFWEWJLAK-UHFFFAOYSA-N 2 2 344.419 1.314 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000997034675 703286734 /nfs/dbraw/zinc/28/67/34/703286734.db2.gz AYEZKZLJMYAXCP-GFCCVEGCSA-N 2 2 346.435 1.800 20 0 EDADLP CN(C)c1ccccc1C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997039459 703290612 /nfs/dbraw/zinc/29/06/12/703290612.db2.gz CVLFKOLFDRNUOX-UHFFFAOYSA-N 2 2 341.459 1.799 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)nc1 ZINC000997045125 703293348 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1.202 20 0 EDADLP COc1ncccc1C[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997181193 703471490 /nfs/dbraw/zinc/47/14/90/703471490.db2.gz WNAQMBXZKUYMQU-UHFFFAOYSA-N 2 2 343.431 1.147 20 0 EDADLP CCn1ccnc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997237897 703524717 /nfs/dbraw/zinc/52/47/17/703524717.db2.gz QVOYFTVPKWLYJY-UHFFFAOYSA-N 2 2 344.463 1.350 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703054 706752024 /nfs/dbraw/zinc/75/20/24/706752024.db2.gz JCVFDXKKRUXTSF-COXVUDFISA-N 2 2 341.415 1.201 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703054 706752025 /nfs/dbraw/zinc/75/20/25/706752025.db2.gz JCVFDXKKRUXTSF-COXVUDFISA-N 2 2 341.415 1.201 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)no1 ZINC000997360184 703590681 /nfs/dbraw/zinc/59/06/81/703590681.db2.gz MITUGBPAVWVMLU-OKILXGFUSA-N 2 2 349.479 1.585 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)no1 ZINC000997360184 703590683 /nfs/dbraw/zinc/59/06/83/703590683.db2.gz MITUGBPAVWVMLU-OKILXGFUSA-N 2 2 349.479 1.585 20 0 EDADLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001032444692 703622276 /nfs/dbraw/zinc/62/22/76/703622276.db2.gz JIZARGWMXNQQDV-JENIJYKNSA-N 2 2 343.471 1.821 20 0 EDADLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001032444692 703622277 /nfs/dbraw/zinc/62/22/77/703622277.db2.gz JIZARGWMXNQQDV-JENIJYKNSA-N 2 2 343.471 1.821 20 0 EDADLP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C\Cl)CC1 ZINC001032706086 706756902 /nfs/dbraw/zinc/75/69/02/706756902.db2.gz XFTQCKSRUUIGPB-AGOVTNRESA-N 2 2 327.856 1.135 20 0 EDADLP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C\Cl)CC1 ZINC001032706086 706756905 /nfs/dbraw/zinc/75/69/05/706756905.db2.gz XFTQCKSRUUIGPB-AGOVTNRESA-N 2 2 327.856 1.135 20 0 EDADLP Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001032459928 703632515 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1.206 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032535227 704568766 /nfs/dbraw/zinc/56/87/66/704568766.db2.gz YXMZCGULVZOOOV-HOTGVXAUSA-N 2 2 332.448 1.064 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032535227 704568767 /nfs/dbraw/zinc/56/87/67/704568767.db2.gz YXMZCGULVZOOOV-HOTGVXAUSA-N 2 2 332.448 1.064 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CCO1 ZINC000997732185 704623697 /nfs/dbraw/zinc/62/36/97/704623697.db2.gz DDCJWJCQJRLSAD-DOTOQJQBSA-N 2 2 348.491 1.986 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC000997737763 704635276 /nfs/dbraw/zinc/63/52/76/704635276.db2.gz MAOFBZYNOFWLLS-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP CC(C)c1noc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944942980 704795513 /nfs/dbraw/zinc/79/55/13/704795513.db2.gz DWGDXSWKEVHXGL-CABCVRRESA-N 2 2 349.479 1.615 20 0 EDADLP CC(C)c1noc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944942980 704795514 /nfs/dbraw/zinc/79/55/14/704795514.db2.gz DWGDXSWKEVHXGL-CABCVRRESA-N 2 2 349.479 1.615 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)n1 ZINC000944965828 704837544 /nfs/dbraw/zinc/83/75/44/704837544.db2.gz VZGXTBAAYVQXKF-YOEHRIQHSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)n1 ZINC000944965828 704837549 /nfs/dbraw/zinc/83/75/49/704837549.db2.gz VZGXTBAAYVQXKF-YOEHRIQHSA-N 2 2 344.463 1.435 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998053019 705256338 /nfs/dbraw/zinc/25/63/38/705256338.db2.gz RLUDVRNXEKIURD-HOTGVXAUSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998053019 705256341 /nfs/dbraw/zinc/25/63/41/705256341.db2.gz RLUDVRNXEKIURD-HOTGVXAUSA-N 2 2 334.464 1.141 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000998118894 705368486 /nfs/dbraw/zinc/36/84/86/705368486.db2.gz JZNBLLWNVNKDII-LLVKDONJSA-N 2 2 332.408 1.233 20 0 EDADLP CC1(C)CO[C@H](C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000998120111 705378900 /nfs/dbraw/zinc/37/89/00/705378900.db2.gz PVXTUWGEZRYYEX-INIZCTEOSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CCO1 ZINC000998120381 705379484 /nfs/dbraw/zinc/37/94/84/705379484.db2.gz RKDVLZNBHPNNQH-HOCLYGCPSA-N 2 2 334.464 1.596 20 0 EDADLP COc1cccc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000998180462 705479437 /nfs/dbraw/zinc/47/94/37/705479437.db2.gz CGRDXVAFFDJBQS-UHFFFAOYSA-N 2 2 342.443 1.989 20 0 EDADLP Cc1ccncc1C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000998184722 705485953 /nfs/dbraw/zinc/48/59/53/705485953.db2.gz XGFHTKVWZUZWGK-UHFFFAOYSA-N 2 2 327.432 1.684 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]Cc3nnc(C)[nH]3)C2)c[nH+]1 ZINC000998971461 706391825 /nfs/dbraw/zinc/39/18/25/706391825.db2.gz XVIABULVSBTNFA-UHFFFAOYSA-N 2 2 345.451 1.132 20 0 EDADLP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000998993013 706424913 /nfs/dbraw/zinc/42/49/13/706424913.db2.gz DPEJLHSDJOTHJP-NRXISQOPSA-N 2 2 349.479 1.585 20 0 EDADLP CCCc1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000998993013 706424915 /nfs/dbraw/zinc/42/49/15/706424915.db2.gz DPEJLHSDJOTHJP-NRXISQOPSA-N 2 2 349.479 1.585 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)s1 ZINC000999033980 706447800 /nfs/dbraw/zinc/44/78/00/706447800.db2.gz AWOPOKCIGGSHNR-ZDUSSCGKSA-N 2 2 333.461 1.888 20 0 EDADLP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC000999045766 706487078 /nfs/dbraw/zinc/48/70/78/706487078.db2.gz QNOUZYXBHAPFQA-OAHLLOKOSA-N 2 2 330.436 1.340 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)o1 ZINC000999046383 706487819 /nfs/dbraw/zinc/48/78/19/706487819.db2.gz SMQYXJUEQHCVMS-CQSZACIVSA-N 2 2 331.420 1.728 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]Cc2csnn2)C1 ZINC000999316270 706823637 /nfs/dbraw/zinc/82/36/37/706823637.db2.gz FNAIGHVEYNBRDY-UHFFFAOYSA-N 2 2 349.460 1.586 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)[nH]1 ZINC000999363570 706877242 /nfs/dbraw/zinc/87/72/42/706877242.db2.gz IZWGIVWJYHINCT-AWEZNQCLSA-N 2 2 348.495 1.493 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)[nH]1 ZINC000999363570 706877243 /nfs/dbraw/zinc/87/72/43/706877243.db2.gz IZWGIVWJYHINCT-AWEZNQCLSA-N 2 2 348.495 1.493 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999370657 706884777 /nfs/dbraw/zinc/88/47/77/706884777.db2.gz KZZAHQCSVMQRAT-BBRMVZONSA-N 2 2 335.452 1.053 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999556796 707054807 /nfs/dbraw/zinc/05/48/07/707054807.db2.gz MPTCCGGHBZOKRS-UHFFFAOYSA-N 2 2 346.475 1.271 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)no1 ZINC000999697011 707222300 /nfs/dbraw/zinc/22/23/00/707222300.db2.gz IEBUDESZPDKNOU-UHFFFAOYSA-N 2 2 331.420 1.763 20 0 EDADLP Cc1nc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)c(C)o1 ZINC000999688476 707243022 /nfs/dbraw/zinc/24/30/22/707243022.db2.gz NACIGJOXEVKADC-UHFFFAOYSA-N 2 2 331.420 1.347 20 0 EDADLP Cc1nc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)cs1 ZINC000999689230 707244691 /nfs/dbraw/zinc/24/46/91/707244691.db2.gz PXRBPMOYQBFBKD-UHFFFAOYSA-N 2 2 333.461 1.507 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033266381 707292613 /nfs/dbraw/zinc/29/26/13/707292613.db2.gz OQQPLWKKULTHCK-HNNXBMFYSA-N 2 2 347.850 1.973 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033266381 707292622 /nfs/dbraw/zinc/29/26/22/707292622.db2.gz OQQPLWKKULTHCK-HNNXBMFYSA-N 2 2 347.850 1.973 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001033267025 707295400 /nfs/dbraw/zinc/29/54/00/707295400.db2.gz SMKQRLMATYXITP-HUUCEWRRSA-N 2 2 328.420 1.275 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001033267025 707295405 /nfs/dbraw/zinc/29/54/05/707295405.db2.gz SMKQRLMATYXITP-HUUCEWRRSA-N 2 2 328.420 1.275 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001033267715 707305659 /nfs/dbraw/zinc/30/56/59/707305659.db2.gz VOZGYFAXOLAJLG-OAHLLOKOSA-N 2 2 345.447 1.783 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001033267715 707305663 /nfs/dbraw/zinc/30/56/63/707305663.db2.gz VOZGYFAXOLAJLG-OAHLLOKOSA-N 2 2 345.447 1.783 20 0 EDADLP COc1cc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)sn1 ZINC000999746431 707346067 /nfs/dbraw/zinc/34/60/67/707346067.db2.gz GBFPWYWUTFPBLV-UHFFFAOYSA-N 2 2 349.460 1.505 20 0 EDADLP C[C@@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004830139 707391473 /nfs/dbraw/zinc/39/14/73/707391473.db2.gz GBSDBKKXWRNYBX-HUUCEWRRSA-N 2 2 344.463 1.635 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](CC[C@@H]3CCOC3)C2)c[nH+]1 ZINC001033192910 707422747 /nfs/dbraw/zinc/42/27/47/707422747.db2.gz QZPZTJBZEYLOSA-SJORKVTESA-N 2 2 348.491 1.886 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)c[nH+]1 ZINC001033192910 707422748 /nfs/dbraw/zinc/42/27/48/707422748.db2.gz QZPZTJBZEYLOSA-SJORKVTESA-N 2 2 348.491 1.886 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)ccn1 ZINC001033199429 707448231 /nfs/dbraw/zinc/44/82/31/707448231.db2.gz SXRLWANNSXAHMZ-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)ccn1 ZINC001033199429 707448236 /nfs/dbraw/zinc/44/82/36/707448236.db2.gz SXRLWANNSXAHMZ-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC001033199429 707448241 /nfs/dbraw/zinc/44/82/41/707448241.db2.gz SXRLWANNSXAHMZ-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)ccn1 ZINC001033199429 707448244 /nfs/dbraw/zinc/44/82/44/707448244.db2.gz SXRLWANNSXAHMZ-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP Cc1cnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC000999837110 707473426 /nfs/dbraw/zinc/47/34/26/707473426.db2.gz PPQMSQVEHZJDGM-HOTGVXAUSA-N 2 2 342.447 1.713 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815694 707565068 /nfs/dbraw/zinc/56/50/68/707565068.db2.gz KOJIRMFAIABUOO-VVLHAWIVSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815694 707565072 /nfs/dbraw/zinc/56/50/72/707565072.db2.gz KOJIRMFAIABUOO-VVLHAWIVSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815694 707565077 /nfs/dbraw/zinc/56/50/77/707565077.db2.gz KOJIRMFAIABUOO-VVLHAWIVSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815694 707565082 /nfs/dbraw/zinc/56/50/82/707565082.db2.gz KOJIRMFAIABUOO-VVLHAWIVSA-N 2 2 348.491 1.794 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004958706 707713943 /nfs/dbraw/zinc/71/39/43/707713943.db2.gz WXOJNPSSLYMRNU-YOEHRIQHSA-N 2 2 344.463 1.554 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001033425447 707844644 /nfs/dbraw/zinc/84/46/44/707844644.db2.gz JFZSXWSMQIFLIY-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001033425447 707844649 /nfs/dbraw/zinc/84/46/49/707844649.db2.gz JFZSXWSMQIFLIY-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC001033425447 707844653 /nfs/dbraw/zinc/84/46/53/707844653.db2.gz JFZSXWSMQIFLIY-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)cn1 ZINC001033425447 707844655 /nfs/dbraw/zinc/84/46/55/707844655.db2.gz JFZSXWSMQIFLIY-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC001033229468 707883469 /nfs/dbraw/zinc/88/34/69/707883469.db2.gz BGZHWUSELJVRLE-OAHLLOKOSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC001033229468 707883473 /nfs/dbraw/zinc/88/34/73/707883473.db2.gz BGZHWUSELJVRLE-OAHLLOKOSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1 ZINC001032782597 707975660 /nfs/dbraw/zinc/97/56/60/707975660.db2.gz IALVBDXRBMJDHO-IRXDYDNUSA-N 2 2 328.391 1.816 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1 ZINC001032782597 707975663 /nfs/dbraw/zinc/97/56/63/707975663.db2.gz IALVBDXRBMJDHO-IRXDYDNUSA-N 2 2 328.391 1.816 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c(C)n1 ZINC001032783579 707977107 /nfs/dbraw/zinc/97/71/07/707977107.db2.gz IGFKUYMQSWSGOP-ROUUACIJSA-N 2 2 328.460 1.579 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c(C)n1 ZINC001032783579 707977110 /nfs/dbraw/zinc/97/71/10/707977110.db2.gz IGFKUYMQSWSGOP-ROUUACIJSA-N 2 2 328.460 1.579 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000313973 707984841 /nfs/dbraw/zinc/98/48/41/707984841.db2.gz USPBATICILTGAB-INIZCTEOSA-N 2 2 344.463 1.819 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCc2sccc2C1 ZINC001032797747 708070870 /nfs/dbraw/zinc/07/08/70/708070870.db2.gz DRBTYDXXQZZLGH-KBMXLJTQSA-N 2 2 349.500 1.426 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCc2sccc2C1 ZINC001032797747 708070872 /nfs/dbraw/zinc/07/08/72/708070872.db2.gz DRBTYDXXQZZLGH-KBMXLJTQSA-N 2 2 349.500 1.426 20 0 EDADLP CO[C@H](C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001032797747 708070873 /nfs/dbraw/zinc/07/08/73/708070873.db2.gz DRBTYDXXQZZLGH-KBMXLJTQSA-N 2 2 349.500 1.426 20 0 EDADLP CO[C@H](C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCc2sccc2C1 ZINC001032797747 708070875 /nfs/dbraw/zinc/07/08/75/708070875.db2.gz DRBTYDXXQZZLGH-KBMXLJTQSA-N 2 2 349.500 1.426 20 0 EDADLP Cc1oncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032802358 708083687 /nfs/dbraw/zinc/08/36/87/708083687.db2.gz XEAANEWIBBRXFN-IRXDYDNUSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1oncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032802358 708083688 /nfs/dbraw/zinc/08/36/88/708083688.db2.gz XEAANEWIBBRXFN-IRXDYDNUSA-N 2 2 332.448 1.644 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CC[N@@H+]1C ZINC001061014141 708174891 /nfs/dbraw/zinc/17/48/91/708174891.db2.gz HNVBQISXEONOLZ-OWCLPIDISA-N 2 2 331.464 1.776 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNc3cc[nH+]c(C)n3)C2)CC[N@H+]1C ZINC001061014141 708174892 /nfs/dbraw/zinc/17/48/92/708174892.db2.gz HNVBQISXEONOLZ-OWCLPIDISA-N 2 2 331.464 1.776 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580400 708260825 /nfs/dbraw/zinc/26/08/25/708260825.db2.gz DJWNIRZSBIPYHW-HZPDHXFCSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580400 708260826 /nfs/dbraw/zinc/26/08/26/708260826.db2.gz DJWNIRZSBIPYHW-HZPDHXFCSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033580400 708260828 /nfs/dbraw/zinc/26/08/28/708260828.db2.gz DJWNIRZSBIPYHW-HZPDHXFCSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033580400 708260829 /nfs/dbraw/zinc/26/08/29/708260829.db2.gz DJWNIRZSBIPYHW-HZPDHXFCSA-N 2 2 333.480 1.278 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033586184 708276516 /nfs/dbraw/zinc/27/65/16/708276516.db2.gz RZFLLVJZECGRGO-AWEZNQCLSA-N 2 2 342.447 1.228 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033586184 708276517 /nfs/dbraw/zinc/27/65/17/708276517.db2.gz RZFLLVJZECGRGO-AWEZNQCLSA-N 2 2 342.447 1.228 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033588829 708283264 /nfs/dbraw/zinc/28/32/64/708283264.db2.gz LFPWGJGPBJBSPM-LSDHHAIUSA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033588829 708283268 /nfs/dbraw/zinc/28/32/68/708283268.db2.gz LFPWGJGPBJBSPM-LSDHHAIUSA-N 2 2 334.464 1.789 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)c3c[nH+]ccc3N(C)C)C2)on1 ZINC001033585766 708313803 /nfs/dbraw/zinc/31/38/03/708313803.db2.gz MGBRYGWCBSYNJF-CQSZACIVSA-N 2 2 343.431 1.791 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3c[nH+]ccc3N(C)C)C2)on1 ZINC001033585766 708313806 /nfs/dbraw/zinc/31/38/06/708313806.db2.gz MGBRYGWCBSYNJF-CQSZACIVSA-N 2 2 343.431 1.791 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033684080 708496451 /nfs/dbraw/zinc/49/64/51/708496451.db2.gz CQJSGOSFWXJJNN-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033684080 708496453 /nfs/dbraw/zinc/49/64/53/708496453.db2.gz CQJSGOSFWXJJNN-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033684080 708496454 /nfs/dbraw/zinc/49/64/54/708496454.db2.gz CQJSGOSFWXJJNN-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033684080 708496457 /nfs/dbraw/zinc/49/64/57/708496457.db2.gz CQJSGOSFWXJJNN-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704703 708534068 /nfs/dbraw/zinc/53/40/68/708534068.db2.gz YZBIYUHQOQHGQW-QGZVFWFLSA-N 2 2 344.463 1.702 20 0 EDADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704703 708534069 /nfs/dbraw/zinc/53/40/69/708534069.db2.gz YZBIYUHQOQHGQW-QGZVFWFLSA-N 2 2 344.463 1.702 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033774911 708674763 /nfs/dbraw/zinc/67/47/63/708674763.db2.gz KTGLKTFJQKKHRP-ZIAGYGMSSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033774911 708674764 /nfs/dbraw/zinc/67/47/64/708674764.db2.gz KTGLKTFJQKKHRP-ZIAGYGMSSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2snnc2C)C1 ZINC001033774911 708674766 /nfs/dbraw/zinc/67/47/66/708674766.db2.gz KTGLKTFJQKKHRP-ZIAGYGMSSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2snnc2C)C1 ZINC001033774911 708674767 /nfs/dbraw/zinc/67/47/67/708674767.db2.gz KTGLKTFJQKKHRP-ZIAGYGMSSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033778349 708706674 /nfs/dbraw/zinc/70/66/74/708706674.db2.gz ZSVMDDGZYGVHPU-SJORKVTESA-N 2 2 333.480 1.246 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033778349 708706675 /nfs/dbraw/zinc/70/66/75/708706675.db2.gz ZSVMDDGZYGVHPU-SJORKVTESA-N 2 2 333.480 1.246 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033778349 708706677 /nfs/dbraw/zinc/70/66/77/708706677.db2.gz ZSVMDDGZYGVHPU-SJORKVTESA-N 2 2 333.480 1.246 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033778349 708706678 /nfs/dbraw/zinc/70/66/78/708706678.db2.gz ZSVMDDGZYGVHPU-SJORKVTESA-N 2 2 333.480 1.246 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033829929 708850556 /nfs/dbraw/zinc/85/05/56/708850556.db2.gz DAQXJDRCRITUGK-CVEARBPZSA-N 2 2 348.516 1.908 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033829929 708850558 /nfs/dbraw/zinc/85/05/58/708850558.db2.gz DAQXJDRCRITUGK-CVEARBPZSA-N 2 2 348.516 1.908 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001033868754 708955961 /nfs/dbraw/zinc/95/59/61/708955961.db2.gz HWFMCBNSYHGKBX-GJMZLZBNSA-N 2 2 329.872 1.381 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001033868754 708955964 /nfs/dbraw/zinc/95/59/64/708955964.db2.gz HWFMCBNSYHGKBX-GJMZLZBNSA-N 2 2 329.872 1.381 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001033868754 708955967 /nfs/dbraw/zinc/95/59/67/708955967.db2.gz HWFMCBNSYHGKBX-GJMZLZBNSA-N 2 2 329.872 1.381 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001033868754 708955968 /nfs/dbraw/zinc/95/59/68/708955968.db2.gz HWFMCBNSYHGKBX-GJMZLZBNSA-N 2 2 329.872 1.381 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002522091 709076069 /nfs/dbraw/zinc/07/60/69/709076069.db2.gz GMSXZOQDOVHLPN-SFHVURJKSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002522091 709076072 /nfs/dbraw/zinc/07/60/72/709076072.db2.gz GMSXZOQDOVHLPN-SFHVURJKSA-N 2 2 349.450 1.545 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033940648 709147045 /nfs/dbraw/zinc/14/70/45/709147045.db2.gz JJWOFUSZTSZGSQ-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033940648 709147048 /nfs/dbraw/zinc/14/70/48/709147048.db2.gz JJWOFUSZTSZGSQ-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001034017400 709234595 /nfs/dbraw/zinc/23/45/95/709234595.db2.gz SHRXTCOGRLAUPC-HOTGVXAUSA-N 2 2 343.475 1.556 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001034017400 709234597 /nfs/dbraw/zinc/23/45/97/709234597.db2.gz SHRXTCOGRLAUPC-HOTGVXAUSA-N 2 2 343.475 1.556 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001034037647 709269632 /nfs/dbraw/zinc/26/96/32/709269632.db2.gz DCKJFIZACHMRGS-CVEARBPZSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001034037647 709269633 /nfs/dbraw/zinc/26/96/33/709269633.db2.gz DCKJFIZACHMRGS-CVEARBPZSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001034037647 709269636 /nfs/dbraw/zinc/26/96/36/709269636.db2.gz DCKJFIZACHMRGS-CVEARBPZSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001034037647 709269637 /nfs/dbraw/zinc/26/96/37/709269637.db2.gz DCKJFIZACHMRGS-CVEARBPZSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001034048473 709302671 /nfs/dbraw/zinc/30/26/71/709302671.db2.gz PNHGRRHJRROXBQ-IORUMNFESA-N 2 2 329.872 1.382 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001034048473 709302675 /nfs/dbraw/zinc/30/26/75/709302675.db2.gz PNHGRRHJRROXBQ-IORUMNFESA-N 2 2 329.872 1.382 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001034048473 709302678 /nfs/dbraw/zinc/30/26/78/709302678.db2.gz PNHGRRHJRROXBQ-IORUMNFESA-N 2 2 329.872 1.382 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001034048473 709302681 /nfs/dbraw/zinc/30/26/81/709302681.db2.gz PNHGRRHJRROXBQ-IORUMNFESA-N 2 2 329.872 1.382 20 0 EDADLP COc1cncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034130253 709399302 /nfs/dbraw/zinc/39/93/02/709399302.db2.gz HFNWUYUIUGGUHW-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034130253 709399304 /nfs/dbraw/zinc/39/93/04/709399304.db2.gz HFNWUYUIUGGUHW-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001034130253 709399306 /nfs/dbraw/zinc/39/93/06/709399306.db2.gz HFNWUYUIUGGUHW-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001034130253 709399308 /nfs/dbraw/zinc/39/93/08/709399308.db2.gz HFNWUYUIUGGUHW-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP Cc1ccncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148873 709419949 /nfs/dbraw/zinc/41/99/49/709419949.db2.gz PPXYXUHMDHYZCM-ROUUACIJSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ccncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148873 709419952 /nfs/dbraw/zinc/41/99/52/709419952.db2.gz PPXYXUHMDHYZCM-ROUUACIJSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ccncc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148873 709419954 /nfs/dbraw/zinc/41/99/54/709419954.db2.gz PPXYXUHMDHYZCM-ROUUACIJSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148873 709419957 /nfs/dbraw/zinc/41/99/57/709419957.db2.gz PPXYXUHMDHYZCM-ROUUACIJSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001002827896 709445440 /nfs/dbraw/zinc/44/54/40/709445440.db2.gz CAFMGEPLNHEVHS-WBMJQRKESA-N 2 2 347.463 1.361 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nccc(C)n3)CC2)CC[N@@H+]1C ZINC001002859229 709467005 /nfs/dbraw/zinc/46/70/05/709467005.db2.gz LOXJQCJJZOSVGA-DLBZAZTESA-N 2 2 345.491 1.596 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nccc(C)n3)CC2)CC[N@H+]1C ZINC001002859229 709467006 /nfs/dbraw/zinc/46/70/06/709467006.db2.gz LOXJQCJJZOSVGA-DLBZAZTESA-N 2 2 345.491 1.596 20 0 EDADLP COCC[N@@H+]1CCCC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034216954 709572156 /nfs/dbraw/zinc/57/21/56/709572156.db2.gz LXISYFMISNIOFO-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP COCC[N@H+]1CCCC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034216954 709572160 /nfs/dbraw/zinc/57/21/60/709572160.db2.gz LXISYFMISNIOFO-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP COCC[NH+]1CCCC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034216954 709572164 /nfs/dbraw/zinc/57/21/64/709572164.db2.gz LXISYFMISNIOFO-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP COCC[NH+]1CCCC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034216954 709572168 /nfs/dbraw/zinc/57/21/68/709572168.db2.gz LXISYFMISNIOFO-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCCC[N@H+](C[C@H]3CCOC3)C2)c[nH+]1 ZINC001034260769 709648139 /nfs/dbraw/zinc/64/81/39/709648139.db2.gz NRDXYXWJRCOCNL-SJORKVTESA-N 2 2 348.491 1.934 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCCC[N@@H+](C[C@H]3CCOC3)C2)c[nH+]1 ZINC001034260769 709648144 /nfs/dbraw/zinc/64/81/44/709648144.db2.gz NRDXYXWJRCOCNL-SJORKVTESA-N 2 2 348.491 1.934 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034261134 709648660 /nfs/dbraw/zinc/64/86/60/709648660.db2.gz UDNWVQMSENHUHZ-JKSUJKDBSA-N 2 2 336.480 1.932 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034261134 709648664 /nfs/dbraw/zinc/64/86/64/709648664.db2.gz UDNWVQMSENHUHZ-JKSUJKDBSA-N 2 2 336.480 1.932 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2nocc2C)CC1 ZINC001002956685 709660331 /nfs/dbraw/zinc/66/03/31/709660331.db2.gz ZRKAVVTZGYGELM-QGZVFWFLSA-N 2 2 334.464 1.938 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2nocc2C)CC1 ZINC001002956685 709660332 /nfs/dbraw/zinc/66/03/32/709660332.db2.gz ZRKAVVTZGYGELM-QGZVFWFLSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034271138 709677579 /nfs/dbraw/zinc/67/75/79/709677579.db2.gz LSMHEBMQDPOWFY-HOTGVXAUSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034271138 709677581 /nfs/dbraw/zinc/67/75/81/709677581.db2.gz LSMHEBMQDPOWFY-HOTGVXAUSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034271138 709677585 /nfs/dbraw/zinc/67/75/85/709677585.db2.gz LSMHEBMQDPOWFY-HOTGVXAUSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034271138 709677588 /nfs/dbraw/zinc/67/75/88/709677588.db2.gz LSMHEBMQDPOWFY-HOTGVXAUSA-N 2 2 334.464 1.938 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccnc3)C2)O1 ZINC001034275220 709684780 /nfs/dbraw/zinc/68/47/80/709684780.db2.gz XQACWOWIMFTJJU-KBAYOESNSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccnc3)C2)O1 ZINC001034275220 709684783 /nfs/dbraw/zinc/68/47/83/709684783.db2.gz XQACWOWIMFTJJU-KBAYOESNSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cccnc3)C2)O1 ZINC001034275220 709684786 /nfs/dbraw/zinc/68/47/86/709684786.db2.gz XQACWOWIMFTJJU-KBAYOESNSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cccnc3)C2)O1 ZINC001034275220 709684789 /nfs/dbraw/zinc/68/47/89/709684789.db2.gz XQACWOWIMFTJJU-KBAYOESNSA-N 2 2 346.475 1.271 20 0 EDADLP Cn1cncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034278022 709693040 /nfs/dbraw/zinc/69/30/40/709693040.db2.gz VKBGUBDIZKRXCJ-WBVHZDCISA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034278022 709693044 /nfs/dbraw/zinc/69/30/44/709693044.db2.gz VKBGUBDIZKRXCJ-WBVHZDCISA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cncc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034278022 709693049 /nfs/dbraw/zinc/69/30/49/709693049.db2.gz VKBGUBDIZKRXCJ-WBVHZDCISA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cncc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034278022 709693051 /nfs/dbraw/zinc/69/30/51/709693051.db2.gz VKBGUBDIZKRXCJ-WBVHZDCISA-N 2 2 333.480 1.375 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282972 709702067 /nfs/dbraw/zinc/70/20/67/709702067.db2.gz SFYTVXKAWSNYBV-KBPBESRZSA-N 2 2 338.452 1.355 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282972 709702070 /nfs/dbraw/zinc/70/20/70/709702070.db2.gz SFYTVXKAWSNYBV-KBPBESRZSA-N 2 2 338.452 1.355 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cncn2C)C1 ZINC001034312275 709758021 /nfs/dbraw/zinc/75/80/21/709758021.db2.gz OOTFLVYSUQCEPX-HNNXBMFYSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cn1 ZINC001034399341 709941960 /nfs/dbraw/zinc/94/19/60/709941960.db2.gz SSISGSAWRQCJFS-CRAIPNDOSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC001034399341 709941963 /nfs/dbraw/zinc/94/19/63/709941963.db2.gz SSISGSAWRQCJFS-CRAIPNDOSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001034399341 709941966 /nfs/dbraw/zinc/94/19/66/709941966.db2.gz SSISGSAWRQCJFS-CRAIPNDOSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001034399341 709941967 /nfs/dbraw/zinc/94/19/67/709941967.db2.gz SSISGSAWRQCJFS-CRAIPNDOSA-N 2 2 345.491 1.740 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034400971 709945102 /nfs/dbraw/zinc/94/51/02/709945102.db2.gz YYXTXGODWVKIBM-HZPDHXFCSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034400971 709945105 /nfs/dbraw/zinc/94/51/05/709945105.db2.gz YYXTXGODWVKIBM-HZPDHXFCSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034400971 709945108 /nfs/dbraw/zinc/94/51/08/709945108.db2.gz YYXTXGODWVKIBM-HZPDHXFCSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034400971 709945111 /nfs/dbraw/zinc/94/51/11/709945111.db2.gz YYXTXGODWVKIBM-HZPDHXFCSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001034484818 710129995 /nfs/dbraw/zinc/12/99/95/710129995.db2.gz OVWKRQGODYGZOO-CVEARBPZSA-N 2 2 334.464 1.360 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001034484818 710130000 /nfs/dbraw/zinc/13/00/00/710130000.db2.gz OVWKRQGODYGZOO-CVEARBPZSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001034502756 710143782 /nfs/dbraw/zinc/14/37/82/710143782.db2.gz ICUCXOVCIGXTQH-HOTGVXAUSA-N 2 2 334.464 1.800 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001034502756 710143784 /nfs/dbraw/zinc/14/37/84/710143784.db2.gz ICUCXOVCIGXTQH-HOTGVXAUSA-N 2 2 334.464 1.800 20 0 EDADLP COc1cncc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034528116 710181667 /nfs/dbraw/zinc/18/16/67/710181667.db2.gz KHOHKHCSLGAQNX-OAHLLOKOSA-N 2 2 347.463 1.052 20 0 EDADLP COc1cncc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034528116 710181668 /nfs/dbraw/zinc/18/16/68/710181668.db2.gz KHOHKHCSLGAQNX-OAHLLOKOSA-N 2 2 347.463 1.052 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)nn1C ZINC001034528907 710183213 /nfs/dbraw/zinc/18/32/13/710183213.db2.gz UMJIGMTZPQXQQX-MRXNPFEDSA-N 2 2 333.480 1.295 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)nn1C ZINC001034528907 710183216 /nfs/dbraw/zinc/18/32/16/710183216.db2.gz UMJIGMTZPQXQQX-MRXNPFEDSA-N 2 2 333.480 1.295 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC001034529488 710184663 /nfs/dbraw/zinc/18/46/63/710184663.db2.gz IADXXSBLTVGLCI-HOCLYGCPSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC001034529488 710184665 /nfs/dbraw/zinc/18/46/65/710184665.db2.gz IADXXSBLTVGLCI-HOCLYGCPSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530329 710187221 /nfs/dbraw/zinc/18/72/21/710187221.db2.gz VPPOWLALVYWHAE-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530329 710187223 /nfs/dbraw/zinc/18/72/23/710187223.db2.gz VPPOWLALVYWHAE-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546685 710220143 /nfs/dbraw/zinc/22/01/43/710220143.db2.gz IETXPWUVCZVJCA-HNNXBMFYSA-N 2 2 345.447 1.913 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546685 710220145 /nfs/dbraw/zinc/22/01/45/710220145.db2.gz IETXPWUVCZVJCA-HNNXBMFYSA-N 2 2 345.447 1.913 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034665753 710335028 /nfs/dbraw/zinc/33/50/28/710335028.db2.gz VDYNPKVWSLTZHT-QBPKDAKJSA-N 2 2 346.475 1.957 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034665753 710335031 /nfs/dbraw/zinc/33/50/31/710335031.db2.gz VDYNPKVWSLTZHT-QBPKDAKJSA-N 2 2 346.475 1.957 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC001003424112 710339422 /nfs/dbraw/zinc/33/94/22/710339422.db2.gz PPCGTEIUNPNBOJ-UHFFFAOYSA-N 2 2 347.507 1.858 20 0 EDADLP Cn1cc(C[NH+]2CCC(NC(=O)c3occc3C[NH+](C)C)CC2)cn1 ZINC001003517018 710394494 /nfs/dbraw/zinc/39/44/94/710394494.db2.gz DTOMPQVPZCRHFB-UHFFFAOYSA-N 2 2 345.447 1.469 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003635847 710462915 /nfs/dbraw/zinc/46/29/15/710462915.db2.gz SJCLLSVKFRXTAS-YOEHRIQHSA-N 2 2 333.480 1.181 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003635847 710462917 /nfs/dbraw/zinc/46/29/17/710462917.db2.gz SJCLLSVKFRXTAS-YOEHRIQHSA-N 2 2 333.480 1.181 20 0 EDADLP COC(=O)COc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000922261288 710544129 /nfs/dbraw/zinc/54/41/29/710544129.db2.gz PQEIYJKLVRVZLV-KRWDZBQOSA-N 2 2 348.443 1.581 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001005578808 710621060 /nfs/dbraw/zinc/62/10/60/710621060.db2.gz HDIAMFGQWGWXCF-OAHLLOKOSA-N 2 2 336.480 1.884 20 0 EDADLP Cc1ccc(C[NH+]2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)c(C)n1 ZINC001003842267 710678106 /nfs/dbraw/zinc/67/81/06/710678106.db2.gz KRESYVWRZYSMOS-UHFFFAOYSA-N 2 2 327.432 1.745 20 0 EDADLP COCc1ccc(C[NH+]2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001003843218 710679760 /nfs/dbraw/zinc/67/97/60/710679760.db2.gz WCFBZSKMCWSPKD-UHFFFAOYSA-N 2 2 342.443 1.879 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCNC3=O)CC2)c(C)[nH+]1 ZINC001034694318 710769167 /nfs/dbraw/zinc/76/91/67/710769167.db2.gz PLFCJKDNSQDYBU-BZUAXINKSA-N 2 2 344.459 1.526 20 0 EDADLP C[C@H](O)C[NH+]1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001003895240 710860741 /nfs/dbraw/zinc/86/07/41/710860741.db2.gz HETQJKZDJFLKIL-AWEZNQCLSA-N 2 2 328.416 1.447 20 0 EDADLP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1)C(N)=O ZINC001034730962 710928517 /nfs/dbraw/zinc/92/85/17/710928517.db2.gz FIMVEDZAPYDLBX-XUXIUFHCSA-N 2 2 347.463 1.111 20 0 EDADLP COC(OC)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000922313651 710931920 /nfs/dbraw/zinc/93/19/20/710931920.db2.gz PJZQDMJRUGATSM-OAHLLOKOSA-N 2 2 338.448 1.495 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034763167 711033629 /nfs/dbraw/zinc/03/36/29/711033629.db2.gz GMQWRMYJBWELDW-JOCQHMNTSA-N 2 2 333.461 1.934 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2nncn2C)CC1 ZINC001034786308 711090279 /nfs/dbraw/zinc/09/02/79/711090279.db2.gz LJFZMWKDRMZDBA-IHRRRGAJSA-N 2 2 345.451 1.167 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003966448 711103969 /nfs/dbraw/zinc/10/39/69/711103969.db2.gz BYTSUEFIDXJZIW-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001005717936 711134105 /nfs/dbraw/zinc/13/41/05/711134105.db2.gz BQFXYPSTFOTCBW-ZDUSSCGKSA-N 2 2 346.435 1.567 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2cncs2)CC1 ZINC001003983280 711182151 /nfs/dbraw/zinc/18/21/51/711182151.db2.gz JIMXGGQGAQVSAY-UHFFFAOYSA-N 2 2 345.472 1.999 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC001034883181 711285273 /nfs/dbraw/zinc/28/52/73/711285273.db2.gz OJQDVTZCKVQPNZ-KGLIPLIRSA-N 2 2 348.495 1.277 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC001034883181 711285276 /nfs/dbraw/zinc/28/52/76/711285276.db2.gz OJQDVTZCKVQPNZ-KGLIPLIRSA-N 2 2 348.495 1.277 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC2CC2)no1 ZINC001034884937 711288914 /nfs/dbraw/zinc/28/89/14/711288914.db2.gz NQMAJRQMOUBWGE-HUUCEWRRSA-N 2 2 347.463 1.197 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC2CC2)no1 ZINC001034884937 711288915 /nfs/dbraw/zinc/28/89/15/711288915.db2.gz NQMAJRQMOUBWGE-HUUCEWRRSA-N 2 2 347.463 1.197 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)o1 ZINC001034920002 711377446 /nfs/dbraw/zinc/37/74/46/711377446.db2.gz HJKDVYOPUSDYDJ-CQSZACIVSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001034921273 711380009 /nfs/dbraw/zinc/38/00/09/711380009.db2.gz YNQPOYLZIPCECC-OAHLLOKOSA-N 2 2 328.420 1.222 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004499188 711889486 /nfs/dbraw/zinc/88/94/86/711889486.db2.gz QSDOKXUTISREBY-RDJZCZTQSA-N 2 2 348.491 1.437 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004499188 711889487 /nfs/dbraw/zinc/88/94/87/711889487.db2.gz QSDOKXUTISREBY-RDJZCZTQSA-N 2 2 348.491 1.437 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597037 712038668 /nfs/dbraw/zinc/03/86/68/712038668.db2.gz QIDHPRWYXAKFHD-WMLDXEAASA-N 2 2 334.464 1.046 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597037 712038672 /nfs/dbraw/zinc/03/86/72/712038672.db2.gz QIDHPRWYXAKFHD-WMLDXEAASA-N 2 2 334.464 1.046 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609405 712062825 /nfs/dbraw/zinc/06/28/25/712062825.db2.gz HMWZNMOZBIWBCK-GOSISDBHSA-N 2 2 348.491 1.702 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609405 712062826 /nfs/dbraw/zinc/06/28/26/712062826.db2.gz HMWZNMOZBIWBCK-GOSISDBHSA-N 2 2 348.491 1.702 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004612134 712066754 /nfs/dbraw/zinc/06/67/54/712066754.db2.gz ZLHYLGQLPUHHJA-SFHVURJKSA-N 2 2 348.491 1.438 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004612134 712066756 /nfs/dbraw/zinc/06/67/56/712066756.db2.gz ZLHYLGQLPUHHJA-SFHVURJKSA-N 2 2 348.491 1.438 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033148980 712096652 /nfs/dbraw/zinc/09/66/52/712096652.db2.gz FKIYHRKTWUDUKF-HOTGVXAUSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033148980 712096654 /nfs/dbraw/zinc/09/66/54/712096654.db2.gz FKIYHRKTWUDUKF-HOTGVXAUSA-N 2 2 343.431 1.790 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033152646 712166751 /nfs/dbraw/zinc/16/67/51/712166751.db2.gz QMHWKAZNBOGNNA-SJORKVTESA-N 2 2 339.443 1.888 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033152646 712166753 /nfs/dbraw/zinc/16/67/53/712166753.db2.gz QMHWKAZNBOGNNA-SJORKVTESA-N 2 2 339.443 1.888 20 0 EDADLP CCc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061542220 712302787 /nfs/dbraw/zinc/30/27/87/712302787.db2.gz JSDDMMOZLJTYPD-ZBFHGGJFSA-N 2 2 331.464 1.384 20 0 EDADLP CCc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061542220 712302788 /nfs/dbraw/zinc/30/27/88/712302788.db2.gz JSDDMMOZLJTYPD-ZBFHGGJFSA-N 2 2 331.464 1.384 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C(C)C)[nH+]1 ZINC001061542710 712307073 /nfs/dbraw/zinc/30/70/73/712307073.db2.gz OZLRUYJTHZYLPF-HOTGVXAUSA-N 2 2 345.491 1.945 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C(C)C)[nH+]1 ZINC001061542710 712307074 /nfs/dbraw/zinc/30/70/74/712307074.db2.gz OZLRUYJTHZYLPF-HOTGVXAUSA-N 2 2 345.491 1.945 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+](Cc1ccccc1)C1CC1)C2=O ZINC000073893144 712367619 /nfs/dbraw/zinc/36/76/19/712367619.db2.gz TZZUOHPIEAMXGW-UHFFFAOYSA-N 2 2 342.443 1.625 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+](Cc1ccccc1)C1CC1)C2=O ZINC000073893144 712367621 /nfs/dbraw/zinc/36/76/21/712367621.db2.gz TZZUOHPIEAMXGW-UHFFFAOYSA-N 2 2 342.443 1.625 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462065 306238372 /nfs/dbraw/zinc/23/83/72/306238372.db2.gz JQCYAVSDXPUAKF-ZBFHGGJFSA-N 2 2 326.481 1.885 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462065 306238373 /nfs/dbraw/zinc/23/83/73/306238373.db2.gz JQCYAVSDXPUAKF-ZBFHGGJFSA-N 2 2 326.481 1.885 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462065 306238374 /nfs/dbraw/zinc/23/83/74/306238374.db2.gz JQCYAVSDXPUAKF-ZBFHGGJFSA-N 2 2 326.481 1.885 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462065 306238375 /nfs/dbraw/zinc/23/83/75/306238375.db2.gz JQCYAVSDXPUAKF-ZBFHGGJFSA-N 2 2 326.481 1.885 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000558705398 306245045 /nfs/dbraw/zinc/24/50/45/306245045.db2.gz KRYRMICAYQVOEA-UHFFFAOYSA-N 2 2 345.447 1.853 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000356899873 282250211 /nfs/dbraw/zinc/25/02/11/282250211.db2.gz LBWINMGYGXRXAR-HLLBOEOZSA-N 2 2 325.497 1.674 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000356899873 282250212 /nfs/dbraw/zinc/25/02/12/282250212.db2.gz LBWINMGYGXRXAR-HLLBOEOZSA-N 2 2 325.497 1.674 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173975336 529880128 /nfs/dbraw/zinc/88/01/28/529880128.db2.gz SDNYGAANYRULES-ZBFHGGJFSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173975336 529880129 /nfs/dbraw/zinc/88/01/29/529880129.db2.gz SDNYGAANYRULES-ZBFHGGJFSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173975336 529880130 /nfs/dbraw/zinc/88/01/30/529880130.db2.gz SDNYGAANYRULES-ZBFHGGJFSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173975336 529880131 /nfs/dbraw/zinc/88/01/31/529880131.db2.gz SDNYGAANYRULES-ZBFHGGJFSA-N 2 2 332.448 1.284 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000174549204 529929361 /nfs/dbraw/zinc/92/93/61/529929361.db2.gz LHQAYIXUJBWSRY-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000174549204 529929363 /nfs/dbraw/zinc/92/93/63/529929363.db2.gz LHQAYIXUJBWSRY-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000174549204 529929364 /nfs/dbraw/zinc/92/93/64/529929364.db2.gz LHQAYIXUJBWSRY-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000174549204 529929366 /nfs/dbraw/zinc/92/93/66/529929366.db2.gz LHQAYIXUJBWSRY-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000377783115 282327020 /nfs/dbraw/zinc/32/70/20/282327020.db2.gz IRSFWLWWSBZAAU-UHFFFAOYSA-N 2 2 338.455 1.863 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000332894662 539611954 /nfs/dbraw/zinc/61/19/54/539611954.db2.gz IVOITNNKTBRXSD-JKSUJKDBSA-N 2 2 348.495 1.038 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000332894662 539611957 /nfs/dbraw/zinc/61/19/57/539611957.db2.gz IVOITNNKTBRXSD-JKSUJKDBSA-N 2 2 348.495 1.038 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)[nH+]c1 ZINC000151180547 539744968 /nfs/dbraw/zinc/74/49/68/539744968.db2.gz YGMMCPNMHAZMDJ-LSDHHAIUSA-N 2 2 335.452 1.210 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)[nH+]c1 ZINC000151180547 539744971 /nfs/dbraw/zinc/74/49/71/539744971.db2.gz YGMMCPNMHAZMDJ-LSDHHAIUSA-N 2 2 335.452 1.210 20 0 EDADLP CCOC(=O)[C@H](CC)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441030029 305216781 /nfs/dbraw/zinc/21/67/81/305216781.db2.gz GXUHWHNMXFLAJV-KRWDZBQOSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)C[NH+]1CCOCC1 ZINC000153101684 539855817 /nfs/dbraw/zinc/85/58/17/539855817.db2.gz CGMHRDZLIFYLKD-CABCVRRESA-N 2 2 330.436 1.281 20 0 EDADLP O=C1C[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CN1CC[NH+]1CCOCC1 ZINC000181044915 234068988 /nfs/dbraw/zinc/06/89/88/234068988.db2.gz WBLJRYAFEPPXFL-SJLPKXTDSA-N 2 2 347.434 1.336 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412692208 304027441 /nfs/dbraw/zinc/02/74/41/304027441.db2.gz CWZROHWFMDBELX-ZWKOTPCHSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412692208 304027443 /nfs/dbraw/zinc/02/74/43/304027443.db2.gz CWZROHWFMDBELX-ZWKOTPCHSA-N 2 2 345.487 1.688 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c[nH+]1 ZINC000562789293 306308971 /nfs/dbraw/zinc/30/89/71/306308971.db2.gz SDMLJBGZTASWOO-CVEARBPZSA-N 2 2 331.464 1.679 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)[N@H+](C)C1 ZINC000356947024 539971755 /nfs/dbraw/zinc/97/17/55/539971755.db2.gz IVTZPDXOECEUDO-HOTGVXAUSA-N 2 2 332.448 1.326 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)[N@@H+](C)C1 ZINC000356947024 539971758 /nfs/dbraw/zinc/97/17/58/539971758.db2.gz IVTZPDXOECEUDO-HOTGVXAUSA-N 2 2 332.448 1.326 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCN(C4CCOCC4)C3=O)n2c1 ZINC000157405701 539973790 /nfs/dbraw/zinc/97/37/90/539973790.db2.gz ALPDOJCOVXYJEC-MRXNPFEDSA-N 2 2 328.416 1.512 20 0 EDADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000562839967 306311239 /nfs/dbraw/zinc/31/12/39/306311239.db2.gz LNAPUBHVTZLRCR-DOTOQJQBSA-N 2 2 341.459 1.701 20 0 EDADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000562839967 306311240 /nfs/dbraw/zinc/31/12/40/306311240.db2.gz LNAPUBHVTZLRCR-DOTOQJQBSA-N 2 2 341.459 1.701 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563203592 306323198 /nfs/dbraw/zinc/32/31/98/306323198.db2.gz GJOSTRBYHIPEJY-ZBFHGGJFSA-N 2 2 328.416 1.992 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cncnc2)CC1 ZINC000271149211 540047992 /nfs/dbraw/zinc/04/79/92/540047992.db2.gz AFYZXWCMTLQFJD-UHFFFAOYSA-N 2 2 341.459 1.739 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000276568897 540062224 /nfs/dbraw/zinc/06/22/24/540062224.db2.gz KCSLRKOVGGEICK-MRXNPFEDSA-N 2 2 341.415 1.431 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000276568897 540062229 /nfs/dbraw/zinc/06/22/29/540062229.db2.gz KCSLRKOVGGEICK-MRXNPFEDSA-N 2 2 341.415 1.431 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000276568897 540062235 /nfs/dbraw/zinc/06/22/35/540062235.db2.gz KCSLRKOVGGEICK-MRXNPFEDSA-N 2 2 341.415 1.431 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000276568897 540062237 /nfs/dbraw/zinc/06/22/37/540062237.db2.gz KCSLRKOVGGEICK-MRXNPFEDSA-N 2 2 341.415 1.431 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224207 540075731 /nfs/dbraw/zinc/07/57/31/540075731.db2.gz OMIWVHFJTGBXCD-AEFFLSMTSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224207 540075733 /nfs/dbraw/zinc/07/57/33/540075733.db2.gz OMIWVHFJTGBXCD-AEFFLSMTSA-N 2 2 342.443 1.342 20 0 EDADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000279994413 540070491 /nfs/dbraw/zinc/07/04/91/540070491.db2.gz FOKVZOGVWLGKOY-JKSUJKDBSA-N 2 2 347.459 1.621 20 0 EDADLP COc1cc2c(cc1OC)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)CC2 ZINC000279994413 540070498 /nfs/dbraw/zinc/07/04/98/540070498.db2.gz FOKVZOGVWLGKOY-JKSUJKDBSA-N 2 2 347.459 1.621 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@H](c3ccco3)[NH+](C)C)nc[nH+]2)C1 ZINC000413023916 304050237 /nfs/dbraw/zinc/05/02/37/304050237.db2.gz LDSOTAUJUAFRNY-SOUVJXGZSA-N 2 2 345.447 1.992 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@H](c3ccco3)[NH+](C)C)nc[nH+]2)C1 ZINC000413023914 304050139 /nfs/dbraw/zinc/05/01/39/304050139.db2.gz LDSOTAUJUAFRNY-RRFJBIMHSA-N 2 2 345.447 1.992 20 0 EDADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(Cl)c1OC ZINC000563430411 306332810 /nfs/dbraw/zinc/33/28/10/306332810.db2.gz BBZPSYSLDQDVKH-VXGBXAGGSA-N 2 2 339.823 1.101 20 0 EDADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(Cl)c1OC ZINC000563430411 306332811 /nfs/dbraw/zinc/33/28/11/306332811.db2.gz BBZPSYSLDQDVKH-VXGBXAGGSA-N 2 2 339.823 1.101 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)n1C ZINC000563438573 306333269 /nfs/dbraw/zinc/33/32/69/306333269.db2.gz FONBVXRKCIKMSB-GOSISDBHSA-N 2 2 342.443 1.927 20 0 EDADLP Cc1nc(C(F)(F)F)ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563491524 306335375 /nfs/dbraw/zinc/33/53/75/306335375.db2.gz KVVNJTAUJJCPHK-SNVBAGLBSA-N 2 2 331.342 1.515 20 0 EDADLP Cc1nc(C(F)(F)F)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563491524 306335376 /nfs/dbraw/zinc/33/53/76/306335376.db2.gz KVVNJTAUJJCPHK-SNVBAGLBSA-N 2 2 331.342 1.515 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000074067598 138224329 /nfs/dbraw/zinc/22/43/29/138224329.db2.gz ZEFZNWDJVJUTRG-UHFFFAOYSA-N 3 2 336.524 1.395 20 0 EDADLP C[C@H](NC(=O)C1([NH+]2CCOCC2)CCCC1)C(C)(C)C[NH+](C)C ZINC000085289342 138270490 /nfs/dbraw/zinc/27/04/90/138270490.db2.gz FPBLLJFOCNSMOG-HNNXBMFYSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000038012543 213189027 /nfs/dbraw/zinc/18/90/27/213189027.db2.gz XDMPBAANHKYAHQ-LBPRGKRZSA-N 2 2 340.265 1.874 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000093203863 138292690 /nfs/dbraw/zinc/29/26/90/138292690.db2.gz UNUNVGCEVPTIEL-ROUUACIJSA-N 2 2 349.450 1.488 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000093203863 138292691 /nfs/dbraw/zinc/29/26/91/138292691.db2.gz UNUNVGCEVPTIEL-ROUUACIJSA-N 2 2 349.450 1.488 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000123852484 138321783 /nfs/dbraw/zinc/32/17/83/138321783.db2.gz BZHMDJAWSBJVBG-OAHLLOKOSA-N 2 2 337.431 1.851 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000123852484 138321784 /nfs/dbraw/zinc/32/17/84/138321784.db2.gz BZHMDJAWSBJVBG-OAHLLOKOSA-N 2 2 337.431 1.851 20 0 EDADLP COCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133454268 138393452 /nfs/dbraw/zinc/39/34/52/138393452.db2.gz GWUXRBXTBYPEBQ-SFHVURJKSA-N 2 2 332.492 1.952 20 0 EDADLP COCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133454268 138393454 /nfs/dbraw/zinc/39/34/54/138393454.db2.gz GWUXRBXTBYPEBQ-SFHVURJKSA-N 2 2 332.492 1.952 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000564085589 306355433 /nfs/dbraw/zinc/35/54/33/306355433.db2.gz SVPAVZGXQAPDKX-QZTJIDSGSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000564085589 306355434 /nfs/dbraw/zinc/35/54/34/306355434.db2.gz SVPAVZGXQAPDKX-QZTJIDSGSA-N 2 2 336.476 1.480 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C[C@H](C)O1 ZINC000564320086 306358095 /nfs/dbraw/zinc/35/80/95/306358095.db2.gz VMGIDBWPPLJJTR-XMTFNYHQSA-N 2 2 340.508 1.928 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)C[C@H](C)O1 ZINC000564320086 306358096 /nfs/dbraw/zinc/35/80/96/306358096.db2.gz VMGIDBWPPLJJTR-XMTFNYHQSA-N 2 2 340.508 1.928 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000564553925 306360465 /nfs/dbraw/zinc/36/04/65/306360465.db2.gz KPLGELNEPSQHHR-KAYRBKQESA-N 2 2 347.459 1.307 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccco2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000413853581 304081870 /nfs/dbraw/zinc/08/18/70/304081870.db2.gz IWHQXJKMADIZJC-USXIJHARSA-N 2 2 346.475 1.945 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2C[C@H]2c2ccco2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000413853581 304081871 /nfs/dbraw/zinc/08/18/71/304081871.db2.gz IWHQXJKMADIZJC-USXIJHARSA-N 2 2 346.475 1.945 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)NCCCNc2cccc[nH+]2)n1 ZINC000173923909 237269694 /nfs/dbraw/zinc/26/96/94/237269694.db2.gz JNWBMDNARHYJEK-UHFFFAOYSA-N 2 2 331.424 1.463 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000565292418 306380794 /nfs/dbraw/zinc/38/07/94/306380794.db2.gz SMTMHGPBRZVPJR-CYBMUJFWSA-N 2 2 339.465 1.239 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)NCC(F)(F)C[NH3+])CC2)cs1 ZINC000190274819 238351810 /nfs/dbraw/zinc/35/18/10/238351810.db2.gz XWHJQFZYGFBQHF-UHFFFAOYSA-N 2 2 332.420 1.374 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)CCCC[NH3+])CC2)cc(OC)c1 ZINC000565420844 306383590 /nfs/dbraw/zinc/38/35/90/306383590.db2.gz NXPDUEFGEUTRNV-UHFFFAOYSA-N 2 2 335.448 1.477 20 0 EDADLP COC(=O)[C@@H](c1ccccc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000246095622 291281141 /nfs/dbraw/zinc/28/11/41/291281141.db2.gz OEUSUABRNDLLJV-GOSISDBHSA-N 2 2 333.476 1.859 20 0 EDADLP COC(=O)[C@@H](c1ccccc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246095622 291281148 /nfs/dbraw/zinc/28/11/48/291281148.db2.gz OEUSUABRNDLLJV-GOSISDBHSA-N 2 2 333.476 1.859 20 0 EDADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000188186995 138833775 /nfs/dbraw/zinc/83/37/75/138833775.db2.gz CDYZGSBQSOHEGU-QGZVFWFLSA-N 2 2 326.400 1.155 20 0 EDADLP C[C@@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC000565946453 306394958 /nfs/dbraw/zinc/39/49/58/306394958.db2.gz SSNGVOQCNXMEQV-YOEHRIQHSA-N 2 2 326.868 1.801 20 0 EDADLP COc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1OC(F)F ZINC000565961467 306395934 /nfs/dbraw/zinc/39/59/34/306395934.db2.gz CMHITULXBLBFGV-RYUDHWBXSA-N 2 2 341.358 1.040 20 0 EDADLP COc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1OC(F)F ZINC000565961467 306395935 /nfs/dbraw/zinc/39/59/35/306395935.db2.gz CMHITULXBLBFGV-RYUDHWBXSA-N 2 2 341.358 1.040 20 0 EDADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H](C)C[NH2+]C ZINC000414848782 304147557 /nfs/dbraw/zinc/14/75/57/304147557.db2.gz XISFFGZHGGFVAO-CQSZACIVSA-N 2 2 330.432 1.994 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)CC[NH2+]1 ZINC000566845067 306429968 /nfs/dbraw/zinc/42/99/68/306429968.db2.gz LNYDRIBRZBKQHB-BMFZPTHFSA-N 2 2 327.432 1.949 20 0 EDADLP COCCOC[C@@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000566851464 306430469 /nfs/dbraw/zinc/43/04/69/306430469.db2.gz XICUFLUCZIBJCG-HZPDHXFCSA-N 2 2 335.448 1.655 20 0 EDADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1Cl ZINC000415094348 304159026 /nfs/dbraw/zinc/15/90/26/304159026.db2.gz JUTOXERUPXJCIJ-TZMCWYRMSA-N 2 2 325.840 1.944 20 0 EDADLP Brc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc2c1OCCO2 ZINC000415093364 304159288 /nfs/dbraw/zinc/15/92/88/304159288.db2.gz IALMNMLLAVWRAR-NSHDSACASA-N 2 2 343.221 1.298 20 0 EDADLP CN(c1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000415099401 304159952 /nfs/dbraw/zinc/15/99/52/304159952.db2.gz YELHNVUNESLZJK-SFHVURJKSA-N 3 2 332.492 1.295 20 0 EDADLP CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000236697669 139028962 /nfs/dbraw/zinc/02/89/62/139028962.db2.gz QBRJOLNURLTJEG-QGZVFWFLSA-N 2 2 349.475 1.387 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000236926272 139035307 /nfs/dbraw/zinc/03/53/07/139035307.db2.gz NRPXLXIGKVDENJ-ACJLOTCBSA-N 2 2 349.475 1.552 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000236926272 139035308 /nfs/dbraw/zinc/03/53/08/139035308.db2.gz NRPXLXIGKVDENJ-ACJLOTCBSA-N 2 2 349.475 1.552 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000236885792 139034097 /nfs/dbraw/zinc/03/40/97/139034097.db2.gz FSFDQZANMPXGED-LJQANCHMSA-N 2 2 345.491 1.947 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000236966961 139036865 /nfs/dbraw/zinc/03/68/65/139036865.db2.gz PTYKIRIYHWGTPB-GOSISDBHSA-N 2 2 332.492 1.568 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000237329862 139048200 /nfs/dbraw/zinc/04/82/00/139048200.db2.gz LOGKVUXCHAXURO-SOUVJXGZSA-N 2 2 343.443 1.907 20 0 EDADLP C[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000237567165 139054267 /nfs/dbraw/zinc/05/42/67/139054267.db2.gz PUMKLOOBUFFGHZ-HKUYNNGSSA-N 2 2 331.460 1.393 20 0 EDADLP C[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000237567165 139054268 /nfs/dbraw/zinc/05/42/68/139054268.db2.gz PUMKLOOBUFFGHZ-HKUYNNGSSA-N 2 2 331.460 1.393 20 0 EDADLP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000237755979 139059590 /nfs/dbraw/zinc/05/95/90/139059590.db2.gz DIJZMBUQPPPXDI-CQSZACIVSA-N 2 2 337.851 1.473 20 0 EDADLP [NH3+][C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)C1 ZINC000237928055 139064095 /nfs/dbraw/zinc/06/40/95/139064095.db2.gz DZYXPCFFOZCFBR-CYBMUJFWSA-N 2 2 346.412 1.056 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](CC)CO1 ZINC000649720066 452211338 /nfs/dbraw/zinc/21/13/38/452211338.db2.gz BLVLTPBJBQGXMF-IAGOWNOFSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](CC)CO1 ZINC000649720066 452211332 /nfs/dbraw/zinc/21/13/32/452211332.db2.gz BLVLTPBJBQGXMF-IAGOWNOFSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000567820883 306464410 /nfs/dbraw/zinc/46/44/10/306464410.db2.gz QXBGVTASIRFTJO-BYNSBNAKSA-N 2 2 349.479 1.620 20 0 EDADLP O[C@@H](COCc1cccs1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246588803 139114176 /nfs/dbraw/zinc/11/41/76/139114176.db2.gz FUKMGCVPEHNGGL-JKSUJKDBSA-N 2 2 340.489 1.280 20 0 EDADLP O[C@@H](COCc1cccs1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246588803 139114177 /nfs/dbraw/zinc/11/41/77/139114177.db2.gz FUKMGCVPEHNGGL-JKSUJKDBSA-N 2 2 340.489 1.280 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246595500 139114330 /nfs/dbraw/zinc/11/43/30/139114330.db2.gz JQINYSNFXVDAEH-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246595500 139114331 /nfs/dbraw/zinc/11/43/31/139114331.db2.gz JQINYSNFXVDAEH-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246869110 139125002 /nfs/dbraw/zinc/12/50/02/139125002.db2.gz GAHGEWAKNHYMKA-NVXWUHKLSA-N 2 2 335.448 1.644 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246869110 139125003 /nfs/dbraw/zinc/12/50/03/139125003.db2.gz GAHGEWAKNHYMKA-NVXWUHKLSA-N 2 2 335.448 1.644 20 0 EDADLP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247250346 139142488 /nfs/dbraw/zinc/14/24/88/139142488.db2.gz ZPQKVEVJZGVFHT-JZXOWHBKSA-N 2 2 330.476 1.893 20 0 EDADLP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247250346 139142489 /nfs/dbraw/zinc/14/24/89/139142489.db2.gz ZPQKVEVJZGVFHT-JZXOWHBKSA-N 2 2 330.476 1.893 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247354966 139145861 /nfs/dbraw/zinc/14/58/61/139145861.db2.gz YIUISINZFZZUPR-HZPDHXFCSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247354966 139145862 /nfs/dbraw/zinc/14/58/62/139145862.db2.gz YIUISINZFZZUPR-HZPDHXFCSA-N 2 2 331.464 1.773 20 0 EDADLP CC[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000247731928 139154438 /nfs/dbraw/zinc/15/44/38/139154438.db2.gz UUMZWZIJDSPCPS-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000247731928 139154439 /nfs/dbraw/zinc/15/44/39/139154439.db2.gz UUMZWZIJDSPCPS-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000248548588 139167149 /nfs/dbraw/zinc/16/71/49/139167149.db2.gz JWKYZQQZSFDXOJ-QRXAFDDPSA-N 2 2 349.519 1.961 20 0 EDADLP CC[C@@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000248548588 139167150 /nfs/dbraw/zinc/16/71/50/139167150.db2.gz JWKYZQQZSFDXOJ-QRXAFDDPSA-N 2 2 349.519 1.961 20 0 EDADLP CO[C@@H]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000249049308 139184024 /nfs/dbraw/zinc/18/40/24/139184024.db2.gz OATOPFAICKZZAA-GOEBONIOSA-N 2 2 326.485 1.221 20 0 EDADLP CO[C@@H]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000249049308 139184025 /nfs/dbraw/zinc/18/40/25/139184025.db2.gz OATOPFAICKZZAA-GOEBONIOSA-N 2 2 326.485 1.221 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000093820869 218253459 /nfs/dbraw/zinc/25/34/59/218253459.db2.gz DTHOFWZMGIHZHF-SFHVURJKSA-N 2 2 331.460 1.824 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000093820869 218253461 /nfs/dbraw/zinc/25/34/61/218253461.db2.gz DTHOFWZMGIHZHF-SFHVURJKSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@H]1COCCN1CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249627409 139196661 /nfs/dbraw/zinc/19/66/61/139196661.db2.gz UINQPGYDXJBPCH-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCCN1CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249627409 139196662 /nfs/dbraw/zinc/19/66/62/139196662.db2.gz UINQPGYDXJBPCH-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249627409 139196663 /nfs/dbraw/zinc/19/66/63/139196663.db2.gz UINQPGYDXJBPCH-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCC[N@H+]1CCN(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249627409 139196664 /nfs/dbraw/zinc/19/66/64/139196664.db2.gz UINQPGYDXJBPCH-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCC[NH+]1CCN(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249627409 139196665 /nfs/dbraw/zinc/19/66/65/139196665.db2.gz UINQPGYDXJBPCH-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCC[NH+]1CCN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249627409 139196666 /nfs/dbraw/zinc/19/66/66/139196666.db2.gz UINQPGYDXJBPCH-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCCN1CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249627409 139196659 /nfs/dbraw/zinc/19/66/59/139196659.db2.gz UINQPGYDXJBPCH-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249627409 139196660 /nfs/dbraw/zinc/19/66/60/139196660.db2.gz UINQPGYDXJBPCH-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(N)c3)CC2)C1 ZINC000261620499 139211880 /nfs/dbraw/zinc/21/18/80/139211880.db2.gz BXVJDURECLXETR-LJQANCHMSA-N 2 2 332.492 1.496 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(N)c3)CC2)C1 ZINC000261620499 139211881 /nfs/dbraw/zinc/21/18/81/139211881.db2.gz BXVJDURECLXETR-LJQANCHMSA-N 2 2 332.492 1.496 20 0 EDADLP Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261644309 139213982 /nfs/dbraw/zinc/21/39/82/139213982.db2.gz AMRQVTYRIBOLKO-GOSISDBHSA-N 2 2 344.503 1.859 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000261724506 139220634 /nfs/dbraw/zinc/22/06/34/139220634.db2.gz FJYCDMKKHIVRFH-PKOBYXMFSA-N 2 2 345.487 1.874 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)C1 ZINC000261716326 139220109 /nfs/dbraw/zinc/22/01/09/139220109.db2.gz DWXQFSJMBIWWBM-HOTGVXAUSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)C1 ZINC000261716326 139220110 /nfs/dbraw/zinc/22/01/10/139220110.db2.gz DWXQFSJMBIWWBM-HOTGVXAUSA-N 2 2 337.851 1.534 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261863950 139232322 /nfs/dbraw/zinc/23/23/22/139232322.db2.gz SLLPWYNUSXLCQT-LBTNJELSSA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261863950 139232323 /nfs/dbraw/zinc/23/23/23/139232323.db2.gz SLLPWYNUSXLCQT-LBTNJELSSA-N 2 2 333.432 1.002 20 0 EDADLP C[NH+]1CCC(CNC(=O)CC[C@@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000261836885 139230239 /nfs/dbraw/zinc/23/02/39/139230239.db2.gz NMYMQQNDBFFJCE-QGZVFWFLSA-N 3 2 336.524 1.443 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261887942 139234094 /nfs/dbraw/zinc/23/40/94/139234094.db2.gz ZIDPZGXMUPWDQR-KGLIPLIRSA-N 2 2 329.366 1.681 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261887942 139234095 /nfs/dbraw/zinc/23/40/95/139234095.db2.gz ZIDPZGXMUPWDQR-KGLIPLIRSA-N 2 2 329.366 1.681 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)O1 ZINC000261932044 139238120 /nfs/dbraw/zinc/23/81/20/139238120.db2.gz ZZAQHPNMOMALHB-CVEARBPZSA-N 2 2 332.448 1.585 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000262010813 139243658 /nfs/dbraw/zinc/24/36/58/139243658.db2.gz MFRRCZBBJHSEPA-GFCCVEGCSA-N 2 2 329.366 1.923 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000262010813 139243659 /nfs/dbraw/zinc/24/36/59/139243659.db2.gz MFRRCZBBJHSEPA-GFCCVEGCSA-N 2 2 329.366 1.923 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000415948676 251038180 /nfs/dbraw/zinc/03/81/80/251038180.db2.gz UZLWCUFLXXODBP-IYBDPMFKSA-N 2 2 334.420 1.009 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000415948676 251038184 /nfs/dbraw/zinc/03/81/84/251038184.db2.gz UZLWCUFLXXODBP-IYBDPMFKSA-N 2 2 334.420 1.009 20 0 EDADLP [NH3+]Cc1ccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000415968570 251039912 /nfs/dbraw/zinc/03/99/12/251039912.db2.gz CKCKONIHFKTFNP-UHFFFAOYSA-N 2 2 344.419 1.318 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262228625 139261856 /nfs/dbraw/zinc/26/18/56/139261856.db2.gz NQAYUWJZUOWYSY-HNNXBMFYSA-N 2 2 345.447 1.251 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000416036165 251050610 /nfs/dbraw/zinc/05/06/10/251050610.db2.gz XPVIYMBTCKXSPZ-MNOVXSKESA-N 2 2 348.373 1.078 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416150957 251053693 /nfs/dbraw/zinc/05/36/93/251053693.db2.gz NFKSKQFCCRVTGS-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416150957 251053696 /nfs/dbraw/zinc/05/36/96/251053696.db2.gz NFKSKQFCCRVTGS-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416150957 251053701 /nfs/dbraw/zinc/05/37/01/251053701.db2.gz NFKSKQFCCRVTGS-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416150957 251053704 /nfs/dbraw/zinc/05/37/04/251053704.db2.gz NFKSKQFCCRVTGS-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416987268 251119501 /nfs/dbraw/zinc/11/95/01/251119501.db2.gz MNLNZGNYTOHHHB-ILXRZTDVSA-N 2 2 347.463 1.199 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416996514 251123841 /nfs/dbraw/zinc/12/38/41/251123841.db2.gz WVCKKXLPRCUXCF-RRFJBIMHSA-N 2 2 349.479 1.350 20 0 EDADLP CO[C@@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](C[NH3+])C1 ZINC000417272067 251152117 /nfs/dbraw/zinc/15/21/17/251152117.db2.gz UNDOSGBRZZZEPF-HZPDHXFCSA-N 2 2 343.431 1.520 20 0 EDADLP [NH3+]CCCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417588946 251200519 /nfs/dbraw/zinc/20/05/19/251200519.db2.gz UPQLNPCUWAUREW-ZDUSSCGKSA-N 2 2 340.418 1.967 20 0 EDADLP [NH3+]CCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417588946 251200524 /nfs/dbraw/zinc/20/05/24/251200524.db2.gz UPQLNPCUWAUREW-ZDUSSCGKSA-N 2 2 340.418 1.967 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CCC(C[NH3+])CC1)c1c(F)cccc1F ZINC000417658949 251215202 /nfs/dbraw/zinc/21/52/02/251215202.db2.gz KMLGLBCOGRYOEO-OAHLLOKOSA-N 2 2 340.418 1.948 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000262441209 139279198 /nfs/dbraw/zinc/27/91/98/139279198.db2.gz HPXOYROHXPATEF-CQSZACIVSA-N 2 2 343.431 1.640 20 0 EDADLP C[C@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417828273 251287002 /nfs/dbraw/zinc/28/70/02/251287002.db2.gz OUXHOBUBYJFVEW-UPJWGTAASA-N 2 2 326.466 1.156 20 0 EDADLP C[C@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417828273 251287006 /nfs/dbraw/zinc/28/70/06/251287006.db2.gz OUXHOBUBYJFVEW-UPJWGTAASA-N 2 2 326.466 1.156 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418474568 251374224 /nfs/dbraw/zinc/37/42/24/251374224.db2.gz SKEUNFWRMKZFGQ-DOTOQJQBSA-N 2 2 334.439 1.780 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000262705133 139297492 /nfs/dbraw/zinc/29/74/92/139297492.db2.gz LOGKVUXCHAXURO-KKUMJFAQSA-N 2 2 343.443 1.907 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000262705133 139297493 /nfs/dbraw/zinc/29/74/93/139297493.db2.gz LOGKVUXCHAXURO-KKUMJFAQSA-N 2 2 343.443 1.907 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262869572 139309219 /nfs/dbraw/zinc/30/92/19/139309219.db2.gz XOWYFDHPFBDAIN-CQSZACIVSA-N 2 2 328.420 1.199 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262895020 139311149 /nfs/dbraw/zinc/31/11/49/139311149.db2.gz OZEBEWCTJYYBRB-HLLBOEOZSA-N 2 2 348.466 1.593 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@H]1CCCC[NH2+]1 ZINC000422897982 252015082 /nfs/dbraw/zinc/01/50/82/252015082.db2.gz DDQHOPLTPBELRR-YSVLISHTSA-N 2 2 347.459 1.431 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422867676 252005337 /nfs/dbraw/zinc/00/53/37/252005337.db2.gz SUATVGAZCNSMSV-WCQYABFASA-N 2 2 333.354 1.879 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423350931 252049787 /nfs/dbraw/zinc/04/97/87/252049787.db2.gz YCWRLTTYWNWIGL-ZDUSSCGKSA-N 2 2 328.420 1.504 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000423931577 252105300 /nfs/dbraw/zinc/10/53/00/252105300.db2.gz QLGWOPIFGWMJSG-LSDHHAIUSA-N 2 2 332.448 1.660 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000423809297 252085147 /nfs/dbraw/zinc/08/51/47/252085147.db2.gz YLGWEIOUIHOHSJ-SUMWQHHRSA-N 2 2 326.400 1.485 20 0 EDADLP Cc1cc(C)c(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(C)[nH+]1 ZINC000332650145 291816316 /nfs/dbraw/zinc/81/63/16/291816316.db2.gz YGIQWWNMOJXTLM-QGZVFWFLSA-N 2 2 336.436 1.212 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])c[nH+]2)CCO1 ZINC000263119798 139323396 /nfs/dbraw/zinc/32/33/96/139323396.db2.gz AVEOSTJUQDWGOY-IDHHARJASA-N 2 2 346.475 1.831 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccccn1 ZINC000263788685 139360375 /nfs/dbraw/zinc/36/03/75/139360375.db2.gz RKUANYCHRKMANK-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccccn1 ZINC000263788685 139360376 /nfs/dbraw/zinc/36/03/76/139360376.db2.gz RKUANYCHRKMANK-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCCO1 ZINC000263807061 139361768 /nfs/dbraw/zinc/36/17/68/139361768.db2.gz SFCWHRGOHLABQS-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCCO1 ZINC000263807061 139361769 /nfs/dbraw/zinc/36/17/69/139361769.db2.gz SFCWHRGOHLABQS-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000459782709 255000302 /nfs/dbraw/zinc/00/03/02/255000302.db2.gz OTEUCKUIDFRRMN-IXDOHACOSA-N 2 2 328.460 1.899 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCCOCC[NH+](C)C ZINC000471644275 255015431 /nfs/dbraw/zinc/01/54/31/255015431.db2.gz UVWIKJRSGYUHBN-UHFFFAOYSA-N 2 2 333.436 1.222 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH+]1Cc1cccs1 ZINC000487277500 255028468 /nfs/dbraw/zinc/02/84/68/255028468.db2.gz GGEWPRXOCWCAGU-RZLSGREXSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH+]1Cc1cccs1 ZINC000487277500 255028470 /nfs/dbraw/zinc/02/84/70/255028470.db2.gz GGEWPRXOCWCAGU-RZLSGREXSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000487277500 255028472 /nfs/dbraw/zinc/02/84/72/255028472.db2.gz GGEWPRXOCWCAGU-RZLSGREXSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000487277500 255028474 /nfs/dbraw/zinc/02/84/74/255028474.db2.gz GGEWPRXOCWCAGU-RZLSGREXSA-N 2 2 339.480 1.974 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000492280029 255167548 /nfs/dbraw/zinc/16/75/48/255167548.db2.gz VAOMIOYUPQXJPA-KJPDOMRESA-N 2 2 334.464 1.779 20 0 EDADLP C[NH+](C)CCCOc1cnccc1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493799509 255221860 /nfs/dbraw/zinc/22/18/60/255221860.db2.gz YMOVFTJBYWNSDS-SNAWJCMRSA-N 2 2 329.404 1.465 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000492904907 255187139 /nfs/dbraw/zinc/18/71/39/255187139.db2.gz YBIYIPCDKJYHNU-SREVYHEPSA-N 2 2 325.416 1.361 20 0 EDADLP CC[C@@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000495203740 255272910 /nfs/dbraw/zinc/27/29/10/255272910.db2.gz QRBMAJGAMWSKFB-LJQANCHMSA-N 2 2 331.460 1.178 20 0 EDADLP CC[C@@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000495203740 255272911 /nfs/dbraw/zinc/27/29/11/255272911.db2.gz QRBMAJGAMWSKFB-LJQANCHMSA-N 2 2 331.460 1.178 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C(C)C ZINC000494202810 255241931 /nfs/dbraw/zinc/24/19/31/255241931.db2.gz YBDQDFVYQZNUFS-QGZVFWFLSA-N 2 2 340.512 1.610 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C(C)C ZINC000494202810 255241932 /nfs/dbraw/zinc/24/19/32/255241932.db2.gz YBDQDFVYQZNUFS-QGZVFWFLSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CC(C)C)CC2)CCO1 ZINC000494245870 255243143 /nfs/dbraw/zinc/24/31/43/255243143.db2.gz WAYXSNXUMLPFQF-KRWDZBQOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CC(C)C)CC2)CCO1 ZINC000494245870 255243144 /nfs/dbraw/zinc/24/31/44/255243144.db2.gz WAYXSNXUMLPFQF-KRWDZBQOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415790465 304272079 /nfs/dbraw/zinc/27/20/79/304272079.db2.gz PFKZBPAQJUGEKW-QMMMGPOBSA-N 2 2 330.230 1.769 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC000495711556 255319437 /nfs/dbraw/zinc/31/94/37/255319437.db2.gz LEMVSYRGSCXMFL-HOTGVXAUSA-N 2 2 341.496 1.944 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC000495711556 255319438 /nfs/dbraw/zinc/31/94/38/255319438.db2.gz LEMVSYRGSCXMFL-HOTGVXAUSA-N 2 2 341.496 1.944 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000496260596 255372118 /nfs/dbraw/zinc/37/21/18/255372118.db2.gz DAKDPAZDCWGTLY-GUYCJALGSA-N 2 2 338.452 1.865 20 0 EDADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496267324 255372759 /nfs/dbraw/zinc/37/27/59/255372759.db2.gz YGOHZRXQWREMIL-HNNXBMFYSA-N 2 2 327.469 1.383 20 0 EDADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496267324 255372760 /nfs/dbraw/zinc/37/27/60/255372760.db2.gz YGOHZRXQWREMIL-HNNXBMFYSA-N 2 2 327.469 1.383 20 0 EDADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496267324 255372761 /nfs/dbraw/zinc/37/27/61/255372761.db2.gz YGOHZRXQWREMIL-HNNXBMFYSA-N 2 2 327.469 1.383 20 0 EDADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496267324 255372762 /nfs/dbraw/zinc/37/27/62/255372762.db2.gz YGOHZRXQWREMIL-HNNXBMFYSA-N 2 2 327.469 1.383 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1F ZINC000264013189 139375709 /nfs/dbraw/zinc/37/57/09/139375709.db2.gz LTOSFDMJYWDQGS-CJNGLKHVSA-N 2 2 345.422 1.994 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000118102600 221117745 /nfs/dbraw/zinc/11/77/45/221117745.db2.gz NGNWRHGLCYIPPB-MRXNPFEDSA-N 2 2 341.415 1.267 20 0 EDADLP O=C(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)Nc1cccnc1 ZINC000119229040 221271639 /nfs/dbraw/zinc/27/16/39/221271639.db2.gz NQNGFVVQCBABCC-UHFFFAOYSA-N 2 2 346.354 1.656 20 0 EDADLP Cc1cccn2cc(CNC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)[nH+]c12 ZINC000155287384 224391478 /nfs/dbraw/zinc/39/14/78/224391478.db2.gz QEEXQNQOQFIKDA-QGZVFWFLSA-N 2 2 342.443 1.902 20 0 EDADLP Cc1cccn2cc(CNC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)[nH+]c12 ZINC000155287384 224391480 /nfs/dbraw/zinc/39/14/80/224391480.db2.gz QEEXQNQOQFIKDA-QGZVFWFLSA-N 2 2 342.443 1.902 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)C1 ZINC000261716322 285360466 /nfs/dbraw/zinc/36/04/66/285360466.db2.gz DWXQFSJMBIWWBM-CVEARBPZSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)C1 ZINC000261716322 285360468 /nfs/dbraw/zinc/36/04/68/285360468.db2.gz DWXQFSJMBIWWBM-CVEARBPZSA-N 2 2 337.851 1.534 20 0 EDADLP C[C@@H](CC(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000164800504 533439517 /nfs/dbraw/zinc/43/95/17/533439517.db2.gz LFBKMNCOEZVRMT-LSDHHAIUSA-N 2 2 327.432 1.909 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000416224861 304297812 /nfs/dbraw/zinc/29/78/12/304297812.db2.gz RFJOAWYKDWSMDF-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000416224861 304297814 /nfs/dbraw/zinc/29/78/14/304297814.db2.gz RFJOAWYKDWSMDF-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CS[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1[NH+](C)C ZINC000270767416 140164883 /nfs/dbraw/zinc/16/48/83/140164883.db2.gz QCHMAZCIKWEKSO-HOTGVXAUSA-N 2 2 330.457 1.990 20 0 EDADLP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([N@H+](C)CCO)CC2)cc1 ZINC000271153930 140247411 /nfs/dbraw/zinc/24/74/11/140247411.db2.gz GWJAMQMHOIVLRY-UHFFFAOYSA-N 2 2 344.459 1.974 20 0 EDADLP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000271153930 140247412 /nfs/dbraw/zinc/24/74/12/140247412.db2.gz GWJAMQMHOIVLRY-UHFFFAOYSA-N 2 2 344.459 1.974 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000332243953 141146045 /nfs/dbraw/zinc/14/60/45/141146045.db2.gz AEUGFXHPIYEMFS-KBAYOESNSA-N 2 2 345.491 1.953 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C)[C@H]3C)ccc2[nH+]1 ZINC000332561026 141203364 /nfs/dbraw/zinc/20/33/64/141203364.db2.gz QOJFNRCTJUKQJK-CHWSQXEVSA-N 2 2 329.404 1.132 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](C)[C@H](C)[C@H]3C)ccc2[nH+]1 ZINC000332561026 141203365 /nfs/dbraw/zinc/20/33/65/141203365.db2.gz QOJFNRCTJUKQJK-CHWSQXEVSA-N 2 2 329.404 1.132 20 0 EDADLP C[C@H](c1cccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000333194549 141279251 /nfs/dbraw/zinc/27/92/51/141279251.db2.gz VVNYKVLLCZSZMX-OIISXLGYSA-N 2 2 344.459 1.763 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC(Cc3[nH]cc[nH+]3)CC1)C2 ZINC000333423659 141315866 /nfs/dbraw/zinc/31/58/66/141315866.db2.gz JPGMGUZQKZZOBV-HNNXBMFYSA-N 2 2 327.432 1.958 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000333486598 141325103 /nfs/dbraw/zinc/32/51/03/141325103.db2.gz CTQWEIPPRHLLNL-IAGOWNOFSA-N 2 2 338.496 1.400 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333666533 141352878 /nfs/dbraw/zinc/35/28/78/141352878.db2.gz MKACQKRMSQKORV-FZKQIMNGSA-N 2 2 331.416 1.818 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333666533 141352879 /nfs/dbraw/zinc/35/28/79/141352879.db2.gz MKACQKRMSQKORV-FZKQIMNGSA-N 2 2 331.416 1.818 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@H]21 ZINC000333723265 141366237 /nfs/dbraw/zinc/36/62/37/141366237.db2.gz VAHAJIPXPMPKRW-IAGOWNOFSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@H]21 ZINC000333723265 141366240 /nfs/dbraw/zinc/36/62/40/141366240.db2.gz VAHAJIPXPMPKRW-IAGOWNOFSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333742166 141370908 /nfs/dbraw/zinc/37/09/08/141370908.db2.gz XTLGUZOOPGWZBT-RKVPGOIHSA-N 2 2 336.480 1.466 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333742166 141370911 /nfs/dbraw/zinc/37/09/11/141370911.db2.gz XTLGUZOOPGWZBT-RKVPGOIHSA-N 2 2 336.480 1.466 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000333850303 141394155 /nfs/dbraw/zinc/39/41/55/141394155.db2.gz NITFUPFXCIKIMK-PBHICJAKSA-N 2 2 349.504 1.362 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000333850303 141394156 /nfs/dbraw/zinc/39/41/56/141394156.db2.gz NITFUPFXCIKIMK-PBHICJAKSA-N 2 2 349.504 1.362 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333866935 141397257 /nfs/dbraw/zinc/39/72/57/141397257.db2.gz AZPHNOXSUHTCLX-SJORKVTESA-N 2 2 343.475 1.965 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H](C)O1 ZINC000339323774 142015319 /nfs/dbraw/zinc/01/53/19/142015319.db2.gz RVNHHZAPWKRMDQ-GJZGRUSLSA-N 2 2 349.479 1.518 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000339392218 142035610 /nfs/dbraw/zinc/03/56/10/142035610.db2.gz MHMHNVMPHCNRSL-CHWSQXEVSA-N 2 2 332.370 1.740 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000339392218 142035612 /nfs/dbraw/zinc/03/56/12/142035612.db2.gz MHMHNVMPHCNRSL-CHWSQXEVSA-N 2 2 332.370 1.740 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339413718 142041642 /nfs/dbraw/zinc/04/16/42/142041642.db2.gz ZKBFDNSAHNKEGA-SFHVURJKSA-N 2 2 343.471 1.450 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339413718 142041644 /nfs/dbraw/zinc/04/16/44/142041644.db2.gz ZKBFDNSAHNKEGA-SFHVURJKSA-N 2 2 343.471 1.450 20 0 EDADLP C[C@H](C[C@H]1CCCO1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340254551 142321085 /nfs/dbraw/zinc/32/10/85/142321085.db2.gz OWTCWINMVRQNGD-GDBMZVCRSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3C(F)F)CC2)CC1 ZINC000344708938 143001356 /nfs/dbraw/zinc/00/13/56/143001356.db2.gz LFIGWHJVZJJBFX-OAHLLOKOSA-N 2 2 344.450 1.984 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[C@H]1C ZINC000345148193 143057581 /nfs/dbraw/zinc/05/75/81/143057581.db2.gz KEFJFPLMZOOKOX-OWCLPIDISA-N 2 2 333.480 1.604 20 0 EDADLP CC[N@H+]1C[C@H](C)N(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[C@H]1C ZINC000345148193 143057582 /nfs/dbraw/zinc/05/75/82/143057582.db2.gz KEFJFPLMZOOKOX-OWCLPIDISA-N 2 2 333.480 1.604 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000345271064 143071865 /nfs/dbraw/zinc/07/18/65/143071865.db2.gz KDUXXMXMTUVEHW-JZXOWHBKSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000345271064 143071866 /nfs/dbraw/zinc/07/18/66/143071866.db2.gz KDUXXMXMTUVEHW-JZXOWHBKSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+](C)Cc1ccccc1 ZINC000345521719 143101406 /nfs/dbraw/zinc/10/14/06/143101406.db2.gz LHKYICWQKMUQED-MRXNPFEDSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000345521719 143101407 /nfs/dbraw/zinc/10/14/07/143101407.db2.gz LHKYICWQKMUQED-MRXNPFEDSA-N 2 2 333.476 1.422 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000345715568 143124689 /nfs/dbraw/zinc/12/46/89/143124689.db2.gz IWUVYCJSNDDANE-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000345715568 143124690 /nfs/dbraw/zinc/12/46/90/143124690.db2.gz IWUVYCJSNDDANE-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1)N1CC[NH+](C)CC1 ZINC000346605301 143221401 /nfs/dbraw/zinc/22/14/01/143221401.db2.gz MYJFITQODQNFJO-DNVCBOLYSA-N 2 2 343.450 1.931 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)[N@H+](C)C1CC1 ZINC000347092182 143281679 /nfs/dbraw/zinc/28/16/79/143281679.db2.gz LRCLWFZUEQRMCD-XJKSGUPXSA-N 2 2 349.479 1.670 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000347092182 143281680 /nfs/dbraw/zinc/28/16/80/143281680.db2.gz LRCLWFZUEQRMCD-XJKSGUPXSA-N 2 2 349.479 1.670 20 0 EDADLP Cn1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(-c2cccs2)n1 ZINC000347214732 143295705 /nfs/dbraw/zinc/29/57/05/143295705.db2.gz QDBAHBHTQVAHIQ-UHFFFAOYSA-N 2 2 333.461 1.012 20 0 EDADLP Cn1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(-c2cccs2)n1 ZINC000347214732 143295706 /nfs/dbraw/zinc/29/57/06/143295706.db2.gz QDBAHBHTQVAHIQ-UHFFFAOYSA-N 2 2 333.461 1.012 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)sc2C1 ZINC000347277572 143302939 /nfs/dbraw/zinc/30/29/39/143302939.db2.gz WBMRSLWVZUNUCC-GDZNZVCISA-N 2 2 348.516 1.995 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)sc2C1 ZINC000347277572 143302940 /nfs/dbraw/zinc/30/29/40/143302940.db2.gz WBMRSLWVZUNUCC-GDZNZVCISA-N 2 2 348.516 1.995 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)sc2C1 ZINC000347277572 143302941 /nfs/dbraw/zinc/30/29/41/143302941.db2.gz WBMRSLWVZUNUCC-GDZNZVCISA-N 2 2 348.516 1.995 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)sc2C1 ZINC000347277572 143302942 /nfs/dbraw/zinc/30/29/42/143302942.db2.gz WBMRSLWVZUNUCC-GDZNZVCISA-N 2 2 348.516 1.995 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347418956 143318705 /nfs/dbraw/zinc/31/87/05/143318705.db2.gz KYOIWXIOVCYURX-GOSISDBHSA-N 2 2 329.444 1.439 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000347418956 143318706 /nfs/dbraw/zinc/31/87/06/143318706.db2.gz KYOIWXIOVCYURX-GOSISDBHSA-N 2 2 329.444 1.439 20 0 EDADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)NCC(=O)c1cccs1 ZINC000347992058 143388462 /nfs/dbraw/zinc/38/84/62/143388462.db2.gz HDHNLOJHBWRGLK-UHFFFAOYSA-N 2 2 349.500 1.855 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1C[NH2+]C1 ZINC000572593316 306594027 /nfs/dbraw/zinc/59/40/27/306594027.db2.gz GZGOAUFKWZISHP-HZMBPMFUSA-N 2 2 343.349 1.888 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000369680798 155134667 /nfs/dbraw/zinc/13/46/67/155134667.db2.gz YRUIEOUKDPOIPH-QGZVFWFLSA-N 2 2 348.491 1.967 20 0 EDADLP CCCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H]1CC[NH+](C)C1 ZINC000645257305 452240143 /nfs/dbraw/zinc/24/01/43/452240143.db2.gz HCBCQOCDNQMBIZ-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](O)CC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369791962 155179473 /nfs/dbraw/zinc/17/94/73/155179473.db2.gz TUDDVBGUJMGNBM-LSDHHAIUSA-N 2 2 340.512 1.251 20 0 EDADLP C[C@H](O)CC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369791962 155179474 /nfs/dbraw/zinc/17/94/74/155179474.db2.gz TUDDVBGUJMGNBM-LSDHHAIUSA-N 2 2 340.512 1.251 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416819456 304349838 /nfs/dbraw/zinc/34/98/38/304349838.db2.gz JLGFLUWROAWVHM-QWHCGFSZSA-N 2 2 326.466 1.029 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369841226 155198582 /nfs/dbraw/zinc/19/85/82/155198582.db2.gz DGCZUYGZDWLTQE-JKSUJKDBSA-N 2 2 349.479 1.280 20 0 EDADLP CO[C@@H]1COCC[C@H]1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573358316 306619349 /nfs/dbraw/zinc/61/93/49/306619349.db2.gz HFOBMVPZIBDPJS-TXPKVOOTSA-N 2 2 347.459 1.655 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC[NH+]2CCSCC2)[nH+]c1 ZINC000264906617 149049917 /nfs/dbraw/zinc/04/99/17/149049917.db2.gz VXORFSROVOTXPI-UHFFFAOYSA-N 2 2 337.493 1.540 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000352581303 149072335 /nfs/dbraw/zinc/07/23/35/149072335.db2.gz TXBJRVIAGFQGGD-RDJZCZTQSA-N 2 2 345.491 1.185 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000352581303 149072337 /nfs/dbraw/zinc/07/23/37/149072337.db2.gz TXBJRVIAGFQGGD-RDJZCZTQSA-N 2 2 345.491 1.185 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(=O)n3nccc3[nH]2)[nH+]1 ZINC000369899945 155221900 /nfs/dbraw/zinc/22/19/00/155221900.db2.gz LJPFSHJIXIBDBG-HNNXBMFYSA-N 2 2 338.415 1.803 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(=O)n3nccc3[nH]2)[nH+]1 ZINC000369899945 155221903 /nfs/dbraw/zinc/22/19/03/155221903.db2.gz LJPFSHJIXIBDBG-HNNXBMFYSA-N 2 2 338.415 1.803 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000416900765 304354617 /nfs/dbraw/zinc/35/46/17/304354617.db2.gz AQLMOEMEVJEHJT-ZOWXZIJZSA-N 2 2 331.420 1.553 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352753437 149150664 /nfs/dbraw/zinc/15/06/64/149150664.db2.gz NTKLZZAKZLMASE-UHFFFAOYSA-N 2 2 346.435 1.368 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416902858 304354950 /nfs/dbraw/zinc/35/49/50/304354950.db2.gz BXUVWVHIZSTSIM-SWLSCSKDSA-N 2 2 331.395 1.652 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](CO)c2ccsc2)CC1 ZINC000353203676 149323453 /nfs/dbraw/zinc/32/34/53/149323453.db2.gz AOLKNKVCEKRQBV-OAHLLOKOSA-N 2 2 340.493 1.107 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccn2cc[nH+]c2c1 ZINC000353332008 149368127 /nfs/dbraw/zinc/36/81/27/149368127.db2.gz RWOBFNWPKXBBGQ-HNNXBMFYSA-N 2 2 331.420 1.693 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)Nc1ccn2cc[nH+]c2c1 ZINC000353332008 149368130 /nfs/dbraw/zinc/36/81/30/149368130.db2.gz RWOBFNWPKXBBGQ-HNNXBMFYSA-N 2 2 331.420 1.693 20 0 EDADLP C[N@H+](Cc1cnc([C@H]2CCCO2)s1)C1CC[NH+](CCO)CC1 ZINC000353353490 149376858 /nfs/dbraw/zinc/37/68/58/149376858.db2.gz PCCDUDMHDVIIRX-OAHLLOKOSA-N 2 2 325.478 1.883 20 0 EDADLP C[N@@H+](Cc1cnc([C@H]2CCCO2)s1)C1CC[NH+](CCO)CC1 ZINC000353353490 149376860 /nfs/dbraw/zinc/37/68/60/149376860.db2.gz PCCDUDMHDVIIRX-OAHLLOKOSA-N 2 2 325.478 1.883 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC[N@@H+]1C ZINC000353369406 149382572 /nfs/dbraw/zinc/38/25/72/149382572.db2.gz GVOKIAZKGDIRHP-NZSAHSFTSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC[N@H+]1C ZINC000353369406 149382573 /nfs/dbraw/zinc/38/25/73/149382573.db2.gz GVOKIAZKGDIRHP-NZSAHSFTSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@@H](C[NH3+])C1 ZINC000416980139 304360565 /nfs/dbraw/zinc/36/05/65/304360565.db2.gz YEMYUZAOAWWLFQ-GDBMZVCRSA-N 2 2 331.464 1.951 20 0 EDADLP Cc1cnn(CCC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000354972478 150060728 /nfs/dbraw/zinc/06/07/28/150060728.db2.gz DKULNCGOVAKRDY-MRXNPFEDSA-N 2 2 333.480 1.209 20 0 EDADLP Cc1cnn(CCC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000354972478 150060730 /nfs/dbraw/zinc/06/07/30/150060730.db2.gz DKULNCGOVAKRDY-MRXNPFEDSA-N 2 2 333.480 1.209 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355068959 150101994 /nfs/dbraw/zinc/10/19/94/150101994.db2.gz LLAANPOTEABWHA-MAUKXSAKSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355068959 150101995 /nfs/dbraw/zinc/10/19/95/150101995.db2.gz LLAANPOTEABWHA-MAUKXSAKSA-N 2 2 338.496 1.365 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000573648902 306627769 /nfs/dbraw/zinc/62/77/69/306627769.db2.gz YHLPKSFXIKBPTJ-KRWDZBQOSA-N 2 2 348.472 1.978 20 0 EDADLP O=C(N1CCC(C[NH+]2CCCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000355596945 150330243 /nfs/dbraw/zinc/33/02/43/150330243.db2.gz OCWPVHYZUKLZIP-UHFFFAOYSA-N 2 2 335.492 1.576 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000355738281 150380899 /nfs/dbraw/zinc/38/08/99/150380899.db2.gz QXHPGBGXLQRXMU-QWHCGFSZSA-N 2 2 339.402 1.486 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000355738281 150380903 /nfs/dbraw/zinc/38/09/03/150380903.db2.gz QXHPGBGXLQRXMU-QWHCGFSZSA-N 2 2 339.402 1.486 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370014315 155281131 /nfs/dbraw/zinc/28/11/31/155281131.db2.gz YOCMDEHMAKHTDJ-NEPJUHHUSA-N 2 2 330.354 1.936 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370014315 155281132 /nfs/dbraw/zinc/28/11/32/155281132.db2.gz YOCMDEHMAKHTDJ-NEPJUHHUSA-N 2 2 330.354 1.936 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000357494470 151047855 /nfs/dbraw/zinc/04/78/55/151047855.db2.gz GZQRCUDIGIKEBB-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000357494470 151047858 /nfs/dbraw/zinc/04/78/58/151047858.db2.gz GZQRCUDIGIKEBB-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000357494470 151047860 /nfs/dbraw/zinc/04/78/60/151047860.db2.gz GZQRCUDIGIKEBB-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000357494470 151047863 /nfs/dbraw/zinc/04/78/63/151047863.db2.gz GZQRCUDIGIKEBB-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000357497311 151048356 /nfs/dbraw/zinc/04/83/56/151048356.db2.gz IOZYLFCUMDCRER-HNNXBMFYSA-N 2 2 344.459 1.914 20 0 EDADLP C[N@H+](CC(=O)NCC1(c2ccccc2)CC1)C1CC[NH+](CCO)CC1 ZINC000357644164 151097681 /nfs/dbraw/zinc/09/76/81/151097681.db2.gz CAKIIUJNVQXOKB-UHFFFAOYSA-N 2 2 345.487 1.223 20 0 EDADLP C[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)C1CC[NH+](CCO)CC1 ZINC000357644164 151097684 /nfs/dbraw/zinc/09/76/84/151097684.db2.gz CAKIIUJNVQXOKB-UHFFFAOYSA-N 2 2 345.487 1.223 20 0 EDADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357770370 151146991 /nfs/dbraw/zinc/14/69/91/151146991.db2.gz FYMGQQILOPJZCA-MSOLQXFVSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357770370 151146995 /nfs/dbraw/zinc/14/69/95/151146995.db2.gz FYMGQQILOPJZCA-MSOLQXFVSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000358046305 151246747 /nfs/dbraw/zinc/24/67/47/151246747.db2.gz YXWICDGUAILXNZ-LPHOPBHVSA-N 3 2 344.503 1.552 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000358046305 151246749 /nfs/dbraw/zinc/24/67/49/151246749.db2.gz YXWICDGUAILXNZ-LPHOPBHVSA-N 3 2 344.503 1.552 20 0 EDADLP COc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358147366 151287814 /nfs/dbraw/zinc/28/78/14/151287814.db2.gz XRGFEZXLHZAYFF-AWEZNQCLSA-N 2 2 329.238 1.614 20 0 EDADLP COc1ccc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358147366 151287818 /nfs/dbraw/zinc/28/78/18/151287818.db2.gz XRGFEZXLHZAYFF-AWEZNQCLSA-N 2 2 329.238 1.614 20 0 EDADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358249117 151317147 /nfs/dbraw/zinc/31/71/47/151317147.db2.gz KAWMWWVQTINRSG-UXHICEINSA-N 2 2 347.503 1.279 20 0 EDADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358249117 151317151 /nfs/dbraw/zinc/31/71/51/151317151.db2.gz KAWMWWVQTINRSG-UXHICEINSA-N 2 2 347.503 1.279 20 0 EDADLP CC[C@H](C)n1ncc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000358320066 151335890 /nfs/dbraw/zinc/33/58/90/151335890.db2.gz GBPKGWLQEXMMHB-AWEZNQCLSA-N 2 2 335.496 1.918 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000358439816 151376618 /nfs/dbraw/zinc/37/66/18/151376618.db2.gz QPKOBDOYPKUVBE-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000358439816 151376620 /nfs/dbraw/zinc/37/66/20/151376620.db2.gz QPKOBDOYPKUVBE-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000358439816 151376621 /nfs/dbraw/zinc/37/66/21/151376621.db2.gz QPKOBDOYPKUVBE-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000358439816 151376623 /nfs/dbraw/zinc/37/66/23/151376623.db2.gz QPKOBDOYPKUVBE-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c(C)o1 ZINC000370084976 155316085 /nfs/dbraw/zinc/31/60/85/155316085.db2.gz QLEHCPHUPNIJTK-CRAIPNDOSA-N 2 2 349.475 1.870 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000360536455 152085094 /nfs/dbraw/zinc/08/50/94/152085094.db2.gz VYIKFJSPRQPDRQ-LJQANCHMSA-N 2 2 347.459 1.348 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000360536455 152085096 /nfs/dbraw/zinc/08/50/96/152085096.db2.gz VYIKFJSPRQPDRQ-LJQANCHMSA-N 2 2 347.459 1.348 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360544094 152087651 /nfs/dbraw/zinc/08/76/51/152087651.db2.gz JHZJWFODDJXBNP-IBGZPJMESA-N 2 2 331.460 1.777 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360544094 152087654 /nfs/dbraw/zinc/08/76/54/152087654.db2.gz JHZJWFODDJXBNP-IBGZPJMESA-N 2 2 331.460 1.777 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360548395 152089714 /nfs/dbraw/zinc/08/97/14/152089714.db2.gz UNLVEVNILIIZJR-YLJYHZDGSA-N 2 2 342.487 1.409 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360548395 152089716 /nfs/dbraw/zinc/08/97/16/152089716.db2.gz UNLVEVNILIIZJR-YLJYHZDGSA-N 2 2 342.487 1.409 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)C2)CC1 ZINC000360548436 152089835 /nfs/dbraw/zinc/08/98/35/152089835.db2.gz WJRVQAFPMQOCMQ-KRWDZBQOSA-N 2 2 335.492 1.432 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000360567071 152100097 /nfs/dbraw/zinc/10/00/97/152100097.db2.gz CLJMXVUIIITEEH-HXUWFJFHSA-N 2 2 329.488 1.956 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000360567071 152100098 /nfs/dbraw/zinc/10/00/98/152100098.db2.gz CLJMXVUIIITEEH-HXUWFJFHSA-N 2 2 329.488 1.956 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000360671274 152146898 /nfs/dbraw/zinc/14/68/98/152146898.db2.gz JXLCTSMASNZDNF-NVXWUHKLSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000360671274 152146900 /nfs/dbraw/zinc/14/69/00/152146900.db2.gz JXLCTSMASNZDNF-NVXWUHKLSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000360671274 152146902 /nfs/dbraw/zinc/14/69/02/152146902.db2.gz JXLCTSMASNZDNF-NVXWUHKLSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000360671274 152146903 /nfs/dbraw/zinc/14/69/03/152146903.db2.gz JXLCTSMASNZDNF-NVXWUHKLSA-N 2 2 333.480 1.091 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361046606 152289160 /nfs/dbraw/zinc/28/91/60/152289160.db2.gz QESRJDKSMLKLFR-HNNXBMFYSA-N 2 2 349.479 1.998 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(CO)c3)C2)CC1 ZINC000361052504 152290461 /nfs/dbraw/zinc/29/04/61/152290461.db2.gz NMKWRIFBTMYPCM-QGZVFWFLSA-N 2 2 346.475 1.147 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccc(CO)c3)C2)CC1 ZINC000361052504 152290462 /nfs/dbraw/zinc/29/04/62/152290462.db2.gz NMKWRIFBTMYPCM-QGZVFWFLSA-N 2 2 346.475 1.147 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000361116175 152309205 /nfs/dbraw/zinc/30/92/05/152309205.db2.gz BSJSGJCJAWOCDW-QGZVFWFLSA-N 2 2 334.464 1.878 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2nnc(C)s2)CC1 ZINC000361118954 152311067 /nfs/dbraw/zinc/31/10/67/152311067.db2.gz YUESMUPKYKSSET-UHFFFAOYSA-N 2 2 326.466 1.396 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC000361125408 152314039 /nfs/dbraw/zinc/31/40/39/152314039.db2.gz SFKZZJCZSLCPKN-ZBFHGGJFSA-N 2 2 331.464 1.498 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC000361125408 152314040 /nfs/dbraw/zinc/31/40/40/152314040.db2.gz SFKZZJCZSLCPKN-ZBFHGGJFSA-N 2 2 331.464 1.498 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)Cc2ccccc2C)CC1 ZINC000361147714 152320276 /nfs/dbraw/zinc/32/02/76/152320276.db2.gz VOMPCGXDMWUARC-IBGZPJMESA-N 2 2 348.487 1.906 20 0 EDADLP c1ccc(C[NH+]2CCO[C@H]3CN(CC[N@@H+]4CCCOCC4)C[C@@H]32)cc1 ZINC000361381350 152377575 /nfs/dbraw/zinc/37/75/75/152377575.db2.gz NBPFLLNRSDSWGW-PMACEKPBSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[NH+]2CCO[C@H]3CN(CC[N@H+]4CCCOCC4)C[C@@H]32)cc1 ZINC000361381350 152377577 /nfs/dbraw/zinc/37/75/77/152377577.db2.gz NBPFLLNRSDSWGW-PMACEKPBSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H]3CN(CC[NH+]4CCCOCC4)C[C@@H]32)cc1 ZINC000361381350 152377581 /nfs/dbraw/zinc/37/75/81/152377581.db2.gz NBPFLLNRSDSWGW-PMACEKPBSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H]3CN(CC[NH+]4CCCOCC4)C[C@@H]32)cc1 ZINC000361381350 152377584 /nfs/dbraw/zinc/37/75/84/152377584.db2.gz NBPFLLNRSDSWGW-PMACEKPBSA-N 2 2 345.487 1.294 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000361417464 152388856 /nfs/dbraw/zinc/38/88/56/152388856.db2.gz LLEWWGUHMAQYRS-MRXNPFEDSA-N 2 2 347.463 1.070 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000361417464 152388858 /nfs/dbraw/zinc/38/88/58/152388858.db2.gz LLEWWGUHMAQYRS-MRXNPFEDSA-N 2 2 347.463 1.070 20 0 EDADLP C[C@H](CNC(=O)C1([NH+]2CCN(C)CC2)CCCC1)Cn1cc[nH+]c1 ZINC000363593914 153008745 /nfs/dbraw/zinc/00/87/45/153008745.db2.gz SJKLDDFRJCWIGC-MRXNPFEDSA-N 2 2 333.480 1.196 20 0 EDADLP Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364206781 153172871 /nfs/dbraw/zinc/17/28/71/153172871.db2.gz LJSPOKNFVNBEKL-MRXNPFEDSA-N 2 2 331.460 1.659 20 0 EDADLP Cc1ccc(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364206781 153172874 /nfs/dbraw/zinc/17/28/74/153172874.db2.gz LJSPOKNFVNBEKL-MRXNPFEDSA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000364232151 153181251 /nfs/dbraw/zinc/18/12/51/153181251.db2.gz VSNDZQZWJAKYHK-INIZCTEOSA-N 2 2 334.439 1.793 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000364232151 153181253 /nfs/dbraw/zinc/18/12/53/153181253.db2.gz VSNDZQZWJAKYHK-INIZCTEOSA-N 2 2 334.439 1.793 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)c[nH+]2)CCO1 ZINC000364252590 153187283 /nfs/dbraw/zinc/18/72/83/153187283.db2.gz ONBROQKVFUZGGQ-HZPDHXFCSA-N 2 2 346.475 1.703 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)C2 ZINC000364528004 153259129 /nfs/dbraw/zinc/25/91/29/153259129.db2.gz HJNNCQUKMWEZNN-GJZGRUSLSA-N 2 2 348.491 1.723 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)CC2 ZINC000364528004 153259130 /nfs/dbraw/zinc/25/91/30/153259130.db2.gz HJNNCQUKMWEZNN-GJZGRUSLSA-N 2 2 348.491 1.723 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)c[nH+]2)C[C@@H](C)O1 ZINC000364557266 153269881 /nfs/dbraw/zinc/26/98/81/153269881.db2.gz DFUBKKWNAQKMHX-ZLHSVIROSA-N 2 2 344.459 1.311 20 0 EDADLP CN(C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1C[NH2+]C1 ZINC000417225595 304385417 /nfs/dbraw/zinc/38/54/17/304385417.db2.gz SKLAULFFDFFOCO-UHFFFAOYSA-N 2 2 338.209 1.210 20 0 EDADLP CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000367266428 154060511 /nfs/dbraw/zinc/06/05/11/154060511.db2.gz GNGQEEAIFDSPGK-INIZCTEOSA-N 2 2 348.495 1.235 20 0 EDADLP CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000367266428 154060513 /nfs/dbraw/zinc/06/05/13/154060513.db2.gz GNGQEEAIFDSPGK-INIZCTEOSA-N 2 2 348.495 1.235 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000367446858 154125289 /nfs/dbraw/zinc/12/52/89/154125289.db2.gz HKQATRXRPUSTJQ-GJZGRUSLSA-N 2 2 325.478 1.499 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000367446858 154125292 /nfs/dbraw/zinc/12/52/92/154125292.db2.gz HKQATRXRPUSTJQ-GJZGRUSLSA-N 2 2 325.478 1.499 20 0 EDADLP Cc1[nH+]c2n(c1CN1CCN(C(=O)C[N@@H+](C)C(C)C)CC1)CCCC2 ZINC000367453360 154127813 /nfs/dbraw/zinc/12/78/13/154127813.db2.gz BPZXHQQUVDADHL-UHFFFAOYSA-N 2 2 347.507 1.512 20 0 EDADLP Cc1[nH+]c2n(c1CN1CCN(C(=O)C[N@H+](C)C(C)C)CC1)CCCC2 ZINC000367453360 154127815 /nfs/dbraw/zinc/12/78/15/154127815.db2.gz BPZXHQQUVDADHL-UHFFFAOYSA-N 2 2 347.507 1.512 20 0 EDADLP C[C@@H]1CN(C(=O)NCC2(C3CC3)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367535652 154164145 /nfs/dbraw/zinc/16/41/45/154164145.db2.gz KGEJSUMWQAICKZ-OAHLLOKOSA-N 2 2 334.508 1.987 20 0 EDADLP C[C@@H]1CN(C(=O)NCC2(C3CC3)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367535652 154164148 /nfs/dbraw/zinc/16/41/48/154164148.db2.gz KGEJSUMWQAICKZ-OAHLLOKOSA-N 2 2 334.508 1.987 20 0 EDADLP CC[C@@H](CSC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367615575 154200496 /nfs/dbraw/zinc/20/04/96/154200496.db2.gz BGQZXPGELWHSPP-UONOGXRCSA-N 2 2 328.526 1.596 20 0 EDADLP CC[C@@H](CSC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367615575 154200500 /nfs/dbraw/zinc/20/05/00/154200500.db2.gz BGQZXPGELWHSPP-UONOGXRCSA-N 2 2 328.526 1.596 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)CC2)cc[nH+]1 ZINC000367956045 154342398 /nfs/dbraw/zinc/34/23/98/154342398.db2.gz LWJGAAJGGCXIDJ-GOSISDBHSA-N 2 2 349.454 1.646 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)cn2)CC1 ZINC000367965722 154345798 /nfs/dbraw/zinc/34/57/98/154345798.db2.gz NMJXXGCSEPQKDW-DLBZAZTESA-N 2 2 345.491 1.618 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC(C)(C)[C@H]3[C@@H]3CCCO3)cn2)CC1 ZINC000367965722 154345802 /nfs/dbraw/zinc/34/58/02/154345802.db2.gz NMJXXGCSEPQKDW-DLBZAZTESA-N 2 2 345.491 1.618 20 0 EDADLP O=C(NC[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000369571670 155090924 /nfs/dbraw/zinc/09/09/24/155090924.db2.gz UBLCZCPVRRPGJK-GDBMZVCRSA-N 2 2 332.448 1.205 20 0 EDADLP O=C(NC[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000369571670 155090928 /nfs/dbraw/zinc/09/09/28/155090928.db2.gz UBLCZCPVRRPGJK-GDBMZVCRSA-N 2 2 332.448 1.205 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369658900 155122995 /nfs/dbraw/zinc/12/29/95/155122995.db2.gz DZQVILGCDAWBQR-ULQDDVLXSA-N 2 2 343.475 1.773 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369658900 155122996 /nfs/dbraw/zinc/12/29/96/155122996.db2.gz DZQVILGCDAWBQR-ULQDDVLXSA-N 2 2 343.475 1.773 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000371884586 156150099 /nfs/dbraw/zinc/15/00/99/156150099.db2.gz SKWQXMVYWLZKFV-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000371884586 156150101 /nfs/dbraw/zinc/15/01/01/156150101.db2.gz SKWQXMVYWLZKFV-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000371884586 156150107 /nfs/dbraw/zinc/15/01/07/156150107.db2.gz SKWQXMVYWLZKFV-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000371884586 156150111 /nfs/dbraw/zinc/15/01/11/156150111.db2.gz SKWQXMVYWLZKFV-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000371895811 156157140 /nfs/dbraw/zinc/15/71/40/156157140.db2.gz IOOVMBLDDJIYOI-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000371895811 156157143 /nfs/dbraw/zinc/15/71/43/156157143.db2.gz IOOVMBLDDJIYOI-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000371895811 156157150 /nfs/dbraw/zinc/15/71/50/156157150.db2.gz IOOVMBLDDJIYOI-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000371895811 156157154 /nfs/dbraw/zinc/15/71/54/156157154.db2.gz IOOVMBLDDJIYOI-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP CC[N@H+](CC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2)C1CC1 ZINC000372148762 156242614 /nfs/dbraw/zinc/24/26/14/156242614.db2.gz GHAPQIDJUBWXRR-UHFFFAOYSA-N 2 2 348.491 1.212 20 0 EDADLP CC[N@@H+](CC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2)C1CC1 ZINC000372148762 156242618 /nfs/dbraw/zinc/24/26/18/156242618.db2.gz GHAPQIDJUBWXRR-UHFFFAOYSA-N 2 2 348.491 1.212 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000374300791 157232198 /nfs/dbraw/zinc/23/21/98/157232198.db2.gz GIBJSPXSICJFCB-QGZVFWFLSA-N 2 2 328.460 1.852 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000374300791 157232202 /nfs/dbraw/zinc/23/22/02/157232202.db2.gz GIBJSPXSICJFCB-QGZVFWFLSA-N 2 2 328.460 1.852 20 0 EDADLP CN(CC(F)(F)F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000374411416 157280147 /nfs/dbraw/zinc/28/01/47/157280147.db2.gz ZGCWHJRTFMJGSI-PBWFPOADSA-N 2 2 348.413 1.843 20 0 EDADLP CN(CC(F)(F)F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000374411416 157280150 /nfs/dbraw/zinc/28/01/50/157280150.db2.gz ZGCWHJRTFMJGSI-PBWFPOADSA-N 2 2 348.413 1.843 20 0 EDADLP C[C@@H]1CN(Cc2cn3cccnc3n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374625773 157349941 /nfs/dbraw/zinc/34/99/41/157349941.db2.gz UMPQKVNTTGLSSV-OAHLLOKOSA-N 2 2 328.464 1.330 20 0 EDADLP C[C@@H]1CN(Cc2cn3cccnc3n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374625773 157349945 /nfs/dbraw/zinc/34/99/45/157349945.db2.gz UMPQKVNTTGLSSV-OAHLLOKOSA-N 2 2 328.464 1.330 20 0 EDADLP O=C1[C@@H](Nc2[nH]c3ccccc3[nH+]2)CCCN1CC[NH+]1CCOCC1 ZINC000374748203 157387081 /nfs/dbraw/zinc/38/70/81/157387081.db2.gz AAMGTNLZESGXJS-INIZCTEOSA-N 2 2 343.431 1.298 20 0 EDADLP CCCOCC(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000376687335 157816124 /nfs/dbraw/zinc/81/61/24/157816124.db2.gz HHBPIPOIQQNSSI-OAHLLOKOSA-N 2 2 334.464 1.800 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C2 ZINC000377878536 158018534 /nfs/dbraw/zinc/01/85/34/158018534.db2.gz JQPWBMZEOIYYJF-WBVHZDCISA-N 2 2 334.464 1.227 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C2 ZINC000377878536 158018537 /nfs/dbraw/zinc/01/85/37/158018537.db2.gz JQPWBMZEOIYYJF-WBVHZDCISA-N 2 2 334.464 1.227 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000377893156 158022872 /nfs/dbraw/zinc/02/28/72/158022872.db2.gz GYMXUQLORPPBTD-QGZVFWFLSA-N 2 2 329.460 1.426 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000377893156 158022874 /nfs/dbraw/zinc/02/28/74/158022874.db2.gz GYMXUQLORPPBTD-QGZVFWFLSA-N 2 2 329.460 1.426 20 0 EDADLP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000377893156 158022876 /nfs/dbraw/zinc/02/28/76/158022876.db2.gz GYMXUQLORPPBTD-QGZVFWFLSA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000378203417 158108016 /nfs/dbraw/zinc/10/80/16/158108016.db2.gz QURZIYYAGPLXNO-IAGOWNOFSA-N 2 2 338.540 1.816 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000378265010 158123482 /nfs/dbraw/zinc/12/34/82/158123482.db2.gz SVYRNYHJHQVMKX-GOEBONIOSA-N 2 2 334.464 1.529 20 0 EDADLP Cc1cccc(CCC[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000378487118 158189828 /nfs/dbraw/zinc/18/98/28/158189828.db2.gz YKTKKKBJPLNIJI-FQEVSTJZSA-N 2 2 331.504 1.876 20 0 EDADLP Cc1cccc(CCC[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000378487118 158189832 /nfs/dbraw/zinc/18/98/32/158189832.db2.gz YKTKKKBJPLNIJI-FQEVSTJZSA-N 2 2 331.504 1.876 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424141784 286848251 /nfs/dbraw/zinc/84/82/51/286848251.db2.gz XJJQXDRKFINFEY-DOTOQJQBSA-N 2 2 325.497 1.901 20 0 EDADLP CO[C@H]1C[C@H](CO)[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000352363487 162142161 /nfs/dbraw/zinc/14/21/61/162142161.db2.gz RKVOYVPXSWURDH-MOPGFXCFSA-N 2 2 333.476 1.280 20 0 EDADLP CO[C@H]1C[C@H](CO)[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000352363487 162142167 /nfs/dbraw/zinc/14/21/67/162142167.db2.gz RKVOYVPXSWURDH-MOPGFXCFSA-N 2 2 333.476 1.280 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCSCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352395313 162160728 /nfs/dbraw/zinc/16/07/28/162160728.db2.gz FUZADVUCDIKRAC-XHSDSOJGSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCSCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352395313 162160731 /nfs/dbraw/zinc/16/07/31/162160731.db2.gz FUZADVUCDIKRAC-XHSDSOJGSA-N 2 2 343.537 1.285 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352439904 162182927 /nfs/dbraw/zinc/18/29/27/162182927.db2.gz XYBCONOXKLFVME-AWEZNQCLSA-N 2 2 329.404 1.108 20 0 EDADLP CC(C)[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)O ZINC000364475637 162331063 /nfs/dbraw/zinc/33/10/63/162331063.db2.gz GVJJYBIMVSOMPA-ZBFHGGJFSA-N 2 2 340.512 1.250 20 0 EDADLP CC(C)[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)O ZINC000364475637 162331066 /nfs/dbraw/zinc/33/10/66/162331066.db2.gz GVJJYBIMVSOMPA-ZBFHGGJFSA-N 2 2 340.512 1.250 20 0 EDADLP C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105301844 286950044 /nfs/dbraw/zinc/95/00/44/286950044.db2.gz GHGPQJCVUYCYLM-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCn3cc[nH+]c3)CC2)CC1 ZINC000051674798 287221814 /nfs/dbraw/zinc/22/18/14/287221814.db2.gz XEOQAOBCBGWRCX-UHFFFAOYSA-N 3 2 348.495 1.131 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCn3ccnc3)CC2)CC1 ZINC000051674798 287221815 /nfs/dbraw/zinc/22/18/15/287221815.db2.gz XEOQAOBCBGWRCX-UHFFFAOYSA-N 2 2 348.495 1.131 20 0 EDADLP COC(C)(C)C[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000074735601 287273113 /nfs/dbraw/zinc/27/31/13/287273113.db2.gz XWUABYXABUDGNN-OAHLLOKOSA-N 2 2 342.528 1.857 20 0 EDADLP COC(C)(C)C[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000074735601 287273115 /nfs/dbraw/zinc/27/31/15/287273115.db2.gz XWUABYXABUDGNN-OAHLLOKOSA-N 2 2 342.528 1.857 20 0 EDADLP COC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000120163977 287358741 /nfs/dbraw/zinc/35/87/41/287358741.db2.gz CJTLBOHMICPCPU-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP COC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000120163977 287358745 /nfs/dbraw/zinc/35/87/45/287358745.db2.gz CJTLBOHMICPCPU-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000125146405 287384570 /nfs/dbraw/zinc/38/45/70/287384570.db2.gz ZUMFUOGLIYCNRX-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000125146405 287384571 /nfs/dbraw/zinc/38/45/71/287384571.db2.gz ZUMFUOGLIYCNRX-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)c1ccccc1Cl ZINC000638051669 452323631 /nfs/dbraw/zinc/32/36/31/452323631.db2.gz OBMMWKPMJNPFEC-GOEBONIOSA-N 2 2 325.840 1.437 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000122396232 222077462 /nfs/dbraw/zinc/07/74/62/222077462.db2.gz BEPWPLHKCPDCPQ-HZPDHXFCSA-N 2 2 331.464 1.834 20 0 EDADLP Cc1csc(CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000663680110 452416500 /nfs/dbraw/zinc/41/65/00/452416500.db2.gz MJVWOZMJYRERNG-UHFFFAOYSA-N 2 2 327.498 1.177 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000225317118 273006694 /nfs/dbraw/zinc/00/66/94/273006694.db2.gz IMNLOBMQEMLOGA-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000225317118 273006695 /nfs/dbraw/zinc/00/66/95/273006695.db2.gz IMNLOBMQEMLOGA-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000265800399 273018968 /nfs/dbraw/zinc/01/89/68/273018968.db2.gz KIBTUJUNNJEOJR-UHFFFAOYSA-N 2 2 345.487 1.933 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274582818 268164153 /nfs/dbraw/zinc/16/41/53/268164153.db2.gz IBQVUZUWXCTUBA-HNNXBMFYSA-N 2 2 328.420 1.194 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](c2ccccc2)O1 ZINC000275317095 268321387 /nfs/dbraw/zinc/32/13/87/268321387.db2.gz SHRWLYMJESTILN-WMZOPIPTSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](c2ccccc2)O1 ZINC000275317095 268321392 /nfs/dbraw/zinc/32/13/92/268321392.db2.gz SHRWLYMJESTILN-WMZOPIPTSA-N 2 2 331.460 1.613 20 0 EDADLP C[NH+]1CCN(C(=O)CCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000275351299 268327933 /nfs/dbraw/zinc/32/79/33/268327933.db2.gz ZXBYYAVXEXEHTP-SFHVURJKSA-N 2 2 330.476 1.139 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)on1 ZINC000273425044 273038374 /nfs/dbraw/zinc/03/83/74/273038374.db2.gz RPSLIUGUYUFCLN-HYVNUMGLSA-N 2 2 340.427 1.774 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)on1 ZINC000273425044 273038375 /nfs/dbraw/zinc/03/83/75/273038375.db2.gz RPSLIUGUYUFCLN-HYVNUMGLSA-N 2 2 340.427 1.774 20 0 EDADLP c1cn(-c2cc(-c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)ccn2)c[nH+]1 ZINC000273841064 273056632 /nfs/dbraw/zinc/05/66/32/273056632.db2.gz BLZDLZGKCALFNU-UONOGXRCSA-N 2 2 338.371 1.853 20 0 EDADLP c1cn(-c2cc(-c3nc([C@H]4C[N@H+]5CCC[C@H]5CO4)no3)ccn2)c[nH+]1 ZINC000273841064 273056633 /nfs/dbraw/zinc/05/66/33/273056633.db2.gz BLZDLZGKCALFNU-UONOGXRCSA-N 2 2 338.371 1.853 20 0 EDADLP C[NH+](C)C1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CCC1 ZINC000275978748 273138576 /nfs/dbraw/zinc/13/85/76/273138576.db2.gz MIRXJPJNJGJKPG-UHFFFAOYSA-N 2 2 331.460 1.733 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000173006874 272932911 /nfs/dbraw/zinc/93/29/11/272932911.db2.gz AQYUXKQBSRYKTD-SFHVURJKSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H]([NH3+])c1ccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000178241180 272943499 /nfs/dbraw/zinc/94/34/99/272943499.db2.gz GCMXWYCIAYYQLM-HNNXBMFYSA-N 2 2 339.443 1.862 20 0 EDADLP CN(C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1c[nH+]cn1C ZINC000280923481 273415595 /nfs/dbraw/zinc/41/55/95/273415595.db2.gz JRRLRQHSCKZBKR-QGZVFWFLSA-N 2 2 345.447 1.602 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)oc1C ZINC000284461318 274210459 /nfs/dbraw/zinc/21/04/59/274210459.db2.gz AMPWNRBBWYNQRG-CZUORRHYSA-N 2 2 346.387 1.218 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369370583 274326647 /nfs/dbraw/zinc/32/66/47/274326647.db2.gz PYCNRCHECQBUTE-KGLIPLIRSA-N 2 2 326.510 1.302 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369370583 274326651 /nfs/dbraw/zinc/32/66/51/274326651.db2.gz PYCNRCHECQBUTE-KGLIPLIRSA-N 2 2 326.510 1.302 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000362697369 275018910 /nfs/dbraw/zinc/01/89/10/275018910.db2.gz KBTRNPJRTOVRMH-MRXNPFEDSA-N 2 2 340.427 1.337 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000362697369 275018911 /nfs/dbraw/zinc/01/89/11/275018911.db2.gz KBTRNPJRTOVRMH-MRXNPFEDSA-N 2 2 340.427 1.337 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000266088810 276360110 /nfs/dbraw/zinc/36/01/10/276360110.db2.gz HURKZKOKAHHKHD-LBPRGKRZSA-N 2 2 336.411 1.936 20 0 EDADLP CN1C(=O)C[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000369991671 277011611 /nfs/dbraw/zinc/01/16/11/277011611.db2.gz UJZAXMDQRDENIL-XLIONFOSSA-N 2 2 341.455 1.732 20 0 EDADLP CN1C(=O)C[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000369991671 277011612 /nfs/dbraw/zinc/01/16/12/277011612.db2.gz UJZAXMDQRDENIL-XLIONFOSSA-N 2 2 341.455 1.732 20 0 EDADLP CN1C(=O)C[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000369991671 277011613 /nfs/dbraw/zinc/01/16/13/277011613.db2.gz UJZAXMDQRDENIL-XLIONFOSSA-N 2 2 341.455 1.732 20 0 EDADLP CN1C(=O)C[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000369991671 277011614 /nfs/dbraw/zinc/01/16/14/277011614.db2.gz UJZAXMDQRDENIL-XLIONFOSSA-N 2 2 341.455 1.732 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC000364012061 277027589 /nfs/dbraw/zinc/02/75/89/277027589.db2.gz KGDGBEJUORYHPG-QGZVFWFLSA-N 2 2 342.487 1.622 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC000364012061 277027591 /nfs/dbraw/zinc/02/75/91/277027591.db2.gz KGDGBEJUORYHPG-QGZVFWFLSA-N 2 2 342.487 1.622 20 0 EDADLP COC1(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)CCOCC1 ZINC000354877927 277187572 /nfs/dbraw/zinc/18/75/72/277187572.db2.gz YXFRXYWSJVUULY-CABCVRRESA-N 2 2 340.443 1.118 20 0 EDADLP C[N@@H+]1CCc2ncnc(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)c2C1 ZINC000378155922 277190849 /nfs/dbraw/zinc/19/08/49/277190849.db2.gz UKDXCJNJFPDHMX-SJORKVTESA-N 2 2 331.464 1.520 20 0 EDADLP C[N@H+]1CCc2ncnc(N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)c2C1 ZINC000378155922 277190851 /nfs/dbraw/zinc/19/08/51/277190851.db2.gz UKDXCJNJFPDHMX-SJORKVTESA-N 2 2 331.464 1.520 20 0 EDADLP COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378438876 277342679 /nfs/dbraw/zinc/34/26/79/277342679.db2.gz YKXGVSOKGRRJPN-PKOBYXMFSA-N 2 2 345.487 1.860 20 0 EDADLP COC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378438876 277342681 /nfs/dbraw/zinc/34/26/81/277342681.db2.gz YKXGVSOKGRRJPN-PKOBYXMFSA-N 2 2 345.487 1.860 20 0 EDADLP COc1ccccc1[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCSCC2)CC[NH2+]1 ZINC000337564647 278060816 /nfs/dbraw/zinc/06/08/16/278060816.db2.gz AMPARPXJCYMKKK-HOCLYGCPSA-N 2 2 349.500 1.605 20 0 EDADLP C[C@@H]1SCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000121102465 278072773 /nfs/dbraw/zinc/07/27/73/278072773.db2.gz VLHJTHRXQZLMGI-YJBOKZPZSA-N 2 2 333.501 1.939 20 0 EDADLP C[C@@H]1SCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000121102465 278072774 /nfs/dbraw/zinc/07/27/74/278072774.db2.gz VLHJTHRXQZLMGI-YJBOKZPZSA-N 2 2 333.501 1.939 20 0 EDADLP C[C@@H](CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)C[NH+]1CCCC1 ZINC000332967150 278272256 /nfs/dbraw/zinc/27/22/56/278272256.db2.gz ZZMKNEXPLSNTJY-HOTGVXAUSA-N 2 2 348.495 1.150 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000422755933 278295406 /nfs/dbraw/zinc/29/54/06/278295406.db2.gz IFXXNZNVIIRRCW-IRXDYDNUSA-N 2 2 325.497 1.378 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000286556664 288033704 /nfs/dbraw/zinc/03/37/04/288033704.db2.gz PRMAQHKGKVZAAX-GDBMZVCRSA-N 2 2 347.463 1.152 20 0 EDADLP C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000286611508 288045471 /nfs/dbraw/zinc/04/54/71/288045471.db2.gz BVNSMMKZDKQARM-YQVWRLOYSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000286611508 288045474 /nfs/dbraw/zinc/04/54/74/288045474.db2.gz BVNSMMKZDKQARM-YQVWRLOYSA-N 2 2 345.487 1.829 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496973256 279037428 /nfs/dbraw/zinc/03/74/28/279037428.db2.gz JFXAYEDORXXWMU-HRCADAONSA-N 2 2 341.496 1.630 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496973256 279037429 /nfs/dbraw/zinc/03/74/29/279037429.db2.gz JFXAYEDORXXWMU-HRCADAONSA-N 2 2 341.496 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496973256 279037433 /nfs/dbraw/zinc/03/74/33/279037433.db2.gz JFXAYEDORXXWMU-HRCADAONSA-N 2 2 341.496 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496973256 279037435 /nfs/dbraw/zinc/03/74/35/279037435.db2.gz JFXAYEDORXXWMU-HRCADAONSA-N 2 2 341.496 1.630 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000175980973 279264153 /nfs/dbraw/zinc/26/41/53/279264153.db2.gz PGIJRMKURDFMQX-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000175980973 279264154 /nfs/dbraw/zinc/26/41/54/279264154.db2.gz PGIJRMKURDFMQX-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000286964643 288126919 /nfs/dbraw/zinc/12/69/19/288126919.db2.gz ACBDCJHDHPQFEH-ZBFHGGJFSA-N 2 2 347.463 1.036 20 0 EDADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353509561 288154262 /nfs/dbraw/zinc/15/42/62/288154262.db2.gz HPGJVKJFEJQWIW-HZPDHXFCSA-N 2 2 341.402 1.534 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](C)CC3)C2=O)c(OC)c1 ZINC000287251446 288192064 /nfs/dbraw/zinc/19/20/64/288192064.db2.gz ZLIUDSUSNOLDFW-QGZVFWFLSA-N 2 2 347.459 1.489 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000373845479 288194088 /nfs/dbraw/zinc/19/40/88/288194088.db2.gz ORDJHBFMUQGMGA-OWCLPIDISA-N 2 2 344.521 1.433 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000373845479 288194089 /nfs/dbraw/zinc/19/40/89/288194089.db2.gz ORDJHBFMUQGMGA-OWCLPIDISA-N 2 2 344.521 1.433 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000262670124 280988894 /nfs/dbraw/zinc/98/88/94/280988894.db2.gz RFKYCUDTZFHGMO-IBGZPJMESA-N 3 2 344.503 1.670 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2Cc3ccccc3CO2)CC1 ZINC000287996307 288377275 /nfs/dbraw/zinc/37/72/75/288377275.db2.gz QNFNPVIFYSUKGC-UHFFFAOYSA-N 2 2 332.448 1.669 20 0 EDADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H](C)OC ZINC000291211590 289019261 /nfs/dbraw/zinc/01/92/61/289019261.db2.gz KSFVXNWUJYWJBZ-MRXNPFEDSA-N 2 2 334.464 1.477 20 0 EDADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H](C)OC ZINC000291211590 289019263 /nfs/dbraw/zinc/01/92/63/289019263.db2.gz KSFVXNWUJYWJBZ-MRXNPFEDSA-N 2 2 334.464 1.477 20 0 EDADLP C[C@H](NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000291647891 289137845 /nfs/dbraw/zinc/13/78/45/289137845.db2.gz JKQLIKFKIHKSDA-BMGDILEWSA-N 2 2 343.475 1.830 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733005 289164455 /nfs/dbraw/zinc/16/44/55/289164455.db2.gz JRDGQKPGZIQKRY-VQTJNVASSA-N 2 2 332.488 1.759 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733005 289164457 /nfs/dbraw/zinc/16/44/57/289164457.db2.gz JRDGQKPGZIQKRY-VQTJNVASSA-N 2 2 332.488 1.759 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733005 289164458 /nfs/dbraw/zinc/16/44/58/289164458.db2.gz JRDGQKPGZIQKRY-VQTJNVASSA-N 2 2 332.488 1.759 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733005 289164460 /nfs/dbraw/zinc/16/44/60/289164460.db2.gz JRDGQKPGZIQKRY-VQTJNVASSA-N 2 2 332.488 1.759 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)C1 ZINC000292072483 289255004 /nfs/dbraw/zinc/25/50/04/289255004.db2.gz DTIUGPHUHVPXAF-KRWDZBQOSA-N 2 2 332.835 1.876 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)C1 ZINC000292072483 289255005 /nfs/dbraw/zinc/25/50/05/289255005.db2.gz DTIUGPHUHVPXAF-KRWDZBQOSA-N 2 2 332.835 1.876 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)C1 ZINC000292072483 289255007 /nfs/dbraw/zinc/25/50/07/289255007.db2.gz DTIUGPHUHVPXAF-KRWDZBQOSA-N 2 2 332.835 1.876 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)C1 ZINC000292072483 289255010 /nfs/dbraw/zinc/25/50/10/289255010.db2.gz DTIUGPHUHVPXAF-KRWDZBQOSA-N 2 2 332.835 1.876 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292260919 289300175 /nfs/dbraw/zinc/30/01/75/289300175.db2.gz YMXASUQHTBVPDL-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292260919 289300178 /nfs/dbraw/zinc/30/01/78/289300178.db2.gz YMXASUQHTBVPDL-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP CCOCc1ccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292260919 289300181 /nfs/dbraw/zinc/30/01/81/289300181.db2.gz YMXASUQHTBVPDL-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP CCOCc1ccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292260919 289300184 /nfs/dbraw/zinc/30/01/84/289300184.db2.gz YMXASUQHTBVPDL-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413349172 289307198 /nfs/dbraw/zinc/30/71/98/289307198.db2.gz FUUAZLLZNBNBKA-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1nccn1C ZINC000345294887 290001383 /nfs/dbraw/zinc/00/13/83/290001383.db2.gz CSMCBBGOSXASMC-DXCKQFNASA-N 2 2 342.447 1.699 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H](C)O1 ZINC000353393177 297016963 /nfs/dbraw/zinc/01/69/63/297016963.db2.gz ZBDKLNOGBGZRID-YVSFHVDLSA-N 2 2 346.475 1.861 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H](C)O1 ZINC000353393177 297016964 /nfs/dbraw/zinc/01/69/64/297016964.db2.gz ZBDKLNOGBGZRID-YVSFHVDLSA-N 2 2 346.475 1.861 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NCC2CCCCC2)CCO1 ZINC000662317705 453033407 /nfs/dbraw/zinc/03/34/07/453033407.db2.gz QROOHMWQAWJFEU-QGZVFWFLSA-N 2 2 325.497 1.726 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NCC2CCCCC2)CCO1 ZINC000662317705 453033418 /nfs/dbraw/zinc/03/34/18/453033418.db2.gz QROOHMWQAWJFEU-QGZVFWFLSA-N 2 2 325.497 1.726 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)C1CC([NH3+])C1)CC2 ZINC000420337592 295039325 /nfs/dbraw/zinc/03/93/25/295039325.db2.gz RCYLJUBLMAKUFW-UHFFFAOYSA-N 2 2 333.432 1.010 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)C1CC([NH3+])C1)CC2 ZINC000420337592 295039328 /nfs/dbraw/zinc/03/93/28/295039328.db2.gz RCYLJUBLMAKUFW-UHFFFAOYSA-N 2 2 333.432 1.010 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000418618648 304520147 /nfs/dbraw/zinc/52/01/47/304520147.db2.gz OOJNKUXOWGXSNM-KGLIPLIRSA-N 2 2 340.493 1.371 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(OC)cn3)CC2)CC1 ZINC000422026564 447314942 /nfs/dbraw/zinc/31/49/42/447314942.db2.gz UZXZJDRLGAMXKJ-UHFFFAOYSA-N 2 2 346.475 1.722 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(OC)cn3)CC2)CC1 ZINC000422026564 447314949 /nfs/dbraw/zinc/31/49/49/447314949.db2.gz UZXZJDRLGAMXKJ-UHFFFAOYSA-N 2 2 346.475 1.722 20 0 EDADLP CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075198 453254370 /nfs/dbraw/zinc/25/43/70/453254370.db2.gz IUXVVIKEOPHASA-OAHLLOKOSA-N 2 2 327.856 1.846 20 0 EDADLP CCOC1CC(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000422027676 447315790 /nfs/dbraw/zinc/31/57/90/447315790.db2.gz WOOHEPYYNXOGOG-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP CCOC1CC(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000422027676 447315796 /nfs/dbraw/zinc/31/57/96/447315796.db2.gz WOOHEPYYNXOGOG-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000377724834 447319411 /nfs/dbraw/zinc/31/94/11/447319411.db2.gz USMATKFNYDBKKQ-INIZCTEOSA-N 2 2 334.464 1.720 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000377724834 447319415 /nfs/dbraw/zinc/31/94/15/447319415.db2.gz USMATKFNYDBKKQ-INIZCTEOSA-N 2 2 334.464 1.720 20 0 EDADLP Cc1nocc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000293557698 302983887 /nfs/dbraw/zinc/98/38/87/302983887.db2.gz LWZSOFMYHZUZOU-UHFFFAOYSA-N 2 2 331.416 1.984 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cnn(C)n3)cc2)C[C@@H](C)O1 ZINC000293961616 303044659 /nfs/dbraw/zinc/04/46/59/303044659.db2.gz CLHKIQUBLPLTAH-HUUCEWRRSA-N 2 2 329.448 1.714 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCS(C)(=O)=O)c2cc1C ZINC000295961834 303286679 /nfs/dbraw/zinc/28/66/79/303286679.db2.gz POYHWIKYNSSJBH-AWEZNQCLSA-N 2 2 339.461 1.038 20 0 EDADLP [NH3+][C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)[C@@H]2CC[C@H]1C2 ZINC000165141864 303476680 /nfs/dbraw/zinc/47/66/80/303476680.db2.gz GZKOBCHAPVPPET-SPOLIRPYSA-N 2 2 343.471 1.550 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(C[NH+]2CCCC2)c1 ZINC000456212793 447330228 /nfs/dbraw/zinc/33/02/28/447330228.db2.gz HLLVASGFLXOXAX-KDURUIRLSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(C[NH+]2CCCC2)c1 ZINC000456212793 447330236 /nfs/dbraw/zinc/33/02/36/447330236.db2.gz HLLVASGFLXOXAX-KDURUIRLSA-N 2 2 343.471 1.875 20 0 EDADLP CNC(=O)C[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301900747 303702416 /nfs/dbraw/zinc/70/24/16/303702416.db2.gz VATGILJIQYBOAK-UHFFFAOYSA-N 2 2 345.451 1.204 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc(C)[nH+]1 ZINC000422086774 304831214 /nfs/dbraw/zinc/83/12/14/304831214.db2.gz PCTYOTULTLYBDY-ZDUSSCGKSA-N 2 2 332.448 1.163 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C[C@@H](C)O1 ZINC000423301290 304891828 /nfs/dbraw/zinc/89/18/28/304891828.db2.gz HCWVRIDYXRPGPV-HSMVNMDESA-N 2 2 341.402 1.580 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000423429094 304895867 /nfs/dbraw/zinc/89/58/67/304895867.db2.gz KWRHKXWKGGMALJ-YJBOKZPZSA-N 2 2 331.460 1.241 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923199 304917265 /nfs/dbraw/zinc/91/72/65/304917265.db2.gz BQELKBDNHJSWIL-HUUCEWRRSA-N 2 2 348.447 1.025 20 0 EDADLP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425386097 304962524 /nfs/dbraw/zinc/96/25/24/304962524.db2.gz SJFAWNFAGQKVDD-WMLDXEAASA-N 2 2 344.459 1.996 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428028776 305004291 /nfs/dbraw/zinc/00/42/91/305004291.db2.gz AURYRTTVQASJRA-YOEHRIQHSA-N 2 2 338.473 1.543 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428028776 305004292 /nfs/dbraw/zinc/00/42/92/305004292.db2.gz AURYRTTVQASJRA-YOEHRIQHSA-N 2 2 338.473 1.543 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1ccc(OC(F)F)cc1 ZINC000428031567 305004579 /nfs/dbraw/zinc/00/45/79/305004579.db2.gz HJEKKXCGRZCKTA-UKRRQHHQSA-N 2 2 339.386 1.588 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1ccc(OC(F)F)cc1 ZINC000428031567 305004580 /nfs/dbraw/zinc/00/45/80/305004580.db2.gz HJEKKXCGRZCKTA-UKRRQHHQSA-N 2 2 339.386 1.588 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428052715 305005885 /nfs/dbraw/zinc/00/58/85/305005885.db2.gz ZVIWKYCWJYJZET-AEFFLSMTSA-N 2 2 331.460 1.523 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428052715 305005886 /nfs/dbraw/zinc/00/58/86/305005886.db2.gz ZVIWKYCWJYJZET-AEFFLSMTSA-N 2 2 331.460 1.523 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)C1 ZINC000429013889 305022826 /nfs/dbraw/zinc/02/28/26/305022826.db2.gz XKGSLOIUUIWELB-APWZRJJASA-N 2 2 329.444 1.654 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)C1 ZINC000429013889 305022827 /nfs/dbraw/zinc/02/28/27/305022827.db2.gz XKGSLOIUUIWELB-APWZRJJASA-N 2 2 329.444 1.654 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)C1 ZINC000429013889 305022828 /nfs/dbraw/zinc/02/28/28/305022828.db2.gz XKGSLOIUUIWELB-APWZRJJASA-N 2 2 329.444 1.654 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)C1 ZINC000429013889 305022829 /nfs/dbraw/zinc/02/28/29/305022829.db2.gz XKGSLOIUUIWELB-APWZRJJASA-N 2 2 329.444 1.654 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000429103768 305023989 /nfs/dbraw/zinc/02/39/89/305023989.db2.gz MKWLNJVUPOQKSJ-UHFFFAOYSA-N 2 2 346.475 1.412 20 0 EDADLP C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000429114622 305024235 /nfs/dbraw/zinc/02/42/35/305024235.db2.gz HGRKECORBQIQEF-HOCLYGCPSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000429114622 305024236 /nfs/dbraw/zinc/02/42/36/305024236.db2.gz HGRKECORBQIQEF-HOCLYGCPSA-N 2 2 337.489 1.238 20 0 EDADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000429619381 305033185 /nfs/dbraw/zinc/03/31/85/305033185.db2.gz ODNIBSGCUKIFSV-SFHVURJKSA-N 2 2 333.476 1.964 20 0 EDADLP COc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC([NH3+])CC2)c(OC)c1 ZINC000429772643 305036582 /nfs/dbraw/zinc/03/65/82/305036582.db2.gz OKZJNOVUQDXIMU-QGZVFWFLSA-N 2 2 347.459 1.790 20 0 EDADLP CC1(C)C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000430537016 305055916 /nfs/dbraw/zinc/05/59/16/305055916.db2.gz JYRHPUDWJVBZSO-WBVHZDCISA-N 2 2 326.444 1.964 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 ZINC000430575075 305056714 /nfs/dbraw/zinc/05/67/14/305056714.db2.gz JSWNVMQTWWAIDF-UONOGXRCSA-N 2 2 344.459 1.810 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 ZINC000430575075 305056715 /nfs/dbraw/zinc/05/67/15/305056715.db2.gz JSWNVMQTWWAIDF-UONOGXRCSA-N 2 2 344.459 1.810 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)c1 ZINC000430586328 305057262 /nfs/dbraw/zinc/05/72/62/305057262.db2.gz VXNFTCPNTITQAR-LJQANCHMSA-N 2 2 346.475 1.824 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000430602956 305058102 /nfs/dbraw/zinc/05/81/02/305058102.db2.gz XGDFKVOBKGXQRE-QGZVFWFLSA-N 2 2 327.432 1.073 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C1 ZINC000430606346 305058286 /nfs/dbraw/zinc/05/82/86/305058286.db2.gz VDGKIUSZAZCROT-OAHLLOKOSA-N 2 2 332.448 1.883 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C1 ZINC000430606346 305058287 /nfs/dbraw/zinc/05/82/87/305058287.db2.gz VDGKIUSZAZCROT-OAHLLOKOSA-N 2 2 332.448 1.883 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OCCOC)cc2)C1 ZINC000430618641 305059273 /nfs/dbraw/zinc/05/92/73/305059273.db2.gz VXHQFVBEMVIHNG-QGZVFWFLSA-N 2 2 349.475 1.259 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OCCOC)cc2)C1 ZINC000430618641 305059274 /nfs/dbraw/zinc/05/92/74/305059274.db2.gz VXHQFVBEMVIHNG-QGZVFWFLSA-N 2 2 349.475 1.259 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH2+]C)C2)c1 ZINC000430628128 305060085 /nfs/dbraw/zinc/06/00/85/305060085.db2.gz OBDXCKWAQNERLX-UONOGXRCSA-N 2 2 332.448 1.305 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH2+]C)C2)c1 ZINC000430628128 305060086 /nfs/dbraw/zinc/06/00/86/305060086.db2.gz OBDXCKWAQNERLX-UONOGXRCSA-N 2 2 332.448 1.305 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000430631350 305060352 /nfs/dbraw/zinc/06/03/52/305060352.db2.gz AWMGKPBRLPHJDQ-CQSZACIVSA-N 2 2 349.475 1.955 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000430631350 305060353 /nfs/dbraw/zinc/06/03/53/305060353.db2.gz AWMGKPBRLPHJDQ-CQSZACIVSA-N 2 2 349.475 1.955 20 0 EDADLP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000430652967 305061425 /nfs/dbraw/zinc/06/14/25/305061425.db2.gz YNJOQXZRMSRXCB-GJZGRUSLSA-N 2 2 349.475 1.860 20 0 EDADLP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000430652967 305061426 /nfs/dbraw/zinc/06/14/26/305061426.db2.gz YNJOQXZRMSRXCB-GJZGRUSLSA-N 2 2 349.475 1.860 20 0 EDADLP COCC[C@@]1(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]C1 ZINC000430872131 305066535 /nfs/dbraw/zinc/06/65/35/305066535.db2.gz ZPKDCNQVJQZCHB-LIRRHRJNSA-N 2 2 348.491 1.628 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000430924015 305068544 /nfs/dbraw/zinc/06/85/44/305068544.db2.gz HHLZJODNSFJBNK-YOEHRIQHSA-N 2 2 335.423 1.267 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000430924015 305068545 /nfs/dbraw/zinc/06/85/45/305068545.db2.gz HHLZJODNSFJBNK-YOEHRIQHSA-N 2 2 335.423 1.267 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430950735 305070360 /nfs/dbraw/zinc/07/03/60/305070360.db2.gz SBNPZRBQHOOGIC-YOEHRIQHSA-N 2 2 346.475 1.776 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430950735 305070361 /nfs/dbraw/zinc/07/03/61/305070361.db2.gz SBNPZRBQHOOGIC-YOEHRIQHSA-N 2 2 346.475 1.776 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2cc(Cl)ccc2OC)C1 ZINC000430957410 305070658 /nfs/dbraw/zinc/07/06/58/305070658.db2.gz SBXAPJAPYHFHPA-LBPRGKRZSA-N 2 2 325.840 1.506 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2cc(Cl)ccc2OC)C1 ZINC000430957410 305070659 /nfs/dbraw/zinc/07/06/59/305070659.db2.gz SBXAPJAPYHFHPA-LBPRGKRZSA-N 2 2 325.840 1.506 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1OC ZINC000430957508 305070745 /nfs/dbraw/zinc/07/07/45/305070745.db2.gz OWUXCMIPBJVSPV-ZFWWWQNUSA-N 2 2 335.448 1.331 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1OC ZINC000430957508 305070746 /nfs/dbraw/zinc/07/07/46/305070746.db2.gz OWUXCMIPBJVSPV-ZFWWWQNUSA-N 2 2 335.448 1.331 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430961669 305071148 /nfs/dbraw/zinc/07/11/48/305071148.db2.gz FJYDMDPFRPBQQG-UKRRQHHQSA-N 2 2 335.448 1.032 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430961669 305071149 /nfs/dbraw/zinc/07/11/49/305071149.db2.gz FJYDMDPFRPBQQG-UKRRQHHQSA-N 2 2 335.448 1.032 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)CC[C@H]1[NH3+] ZINC000430964718 305071451 /nfs/dbraw/zinc/07/14/51/305071451.db2.gz IWPNHORYVASEAO-CRAIPNDOSA-N 2 2 341.459 1.217 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)CC[C@H]1[NH3+] ZINC000430964718 305071452 /nfs/dbraw/zinc/07/14/52/305071452.db2.gz IWPNHORYVASEAO-CRAIPNDOSA-N 2 2 341.459 1.217 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000430972365 305071797 /nfs/dbraw/zinc/07/17/97/305071797.db2.gz RZIBIMHIRWYGEG-GJZGRUSLSA-N 2 2 328.460 1.756 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000430972365 305071798 /nfs/dbraw/zinc/07/17/98/305071798.db2.gz RZIBIMHIRWYGEG-GJZGRUSLSA-N 2 2 328.460 1.756 20 0 EDADLP Cc1cc(NC(=O)NCCCn2cc[nH+]c2)n(C2CC[NH+](C)CC2)n1 ZINC000431117347 305075488 /nfs/dbraw/zinc/07/54/88/305075488.db2.gz IFRWBDKHHQPFDH-UHFFFAOYSA-N 2 2 345.451 1.867 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)Nc3ccncc3)C1)CCCC2 ZINC000432077606 305086906 /nfs/dbraw/zinc/08/69/06/305086906.db2.gz OHRZDHQLSJNHQE-MRXNPFEDSA-N 2 2 339.443 1.773 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000432983615 305098633 /nfs/dbraw/zinc/09/86/33/305098633.db2.gz KBINWKRERMAJFH-HWMZRRJGSA-N 2 2 349.479 1.812 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC2)cc1F ZINC000433148782 305101713 /nfs/dbraw/zinc/10/17/13/305101713.db2.gz RVSUEEUBSCEMHG-HNNXBMFYSA-N 2 2 337.439 1.709 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000433159992 305102182 /nfs/dbraw/zinc/10/21/82/305102182.db2.gz UFBVMTJBHITVAZ-QZTJIDSGSA-N 2 2 333.476 1.277 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000433558332 305111298 /nfs/dbraw/zinc/11/12/98/305111298.db2.gz BUEJMTOAHGWECZ-UHFFFAOYSA-N 2 2 346.475 1.412 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435624755 305143989 /nfs/dbraw/zinc/14/39/89/305143989.db2.gz KAAFCQGNESZXQJ-QGZVFWFLSA-N 2 2 333.476 1.954 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435624755 305143990 /nfs/dbraw/zinc/14/39/90/305143990.db2.gz KAAFCQGNESZXQJ-QGZVFWFLSA-N 2 2 333.476 1.954 20 0 EDADLP COCC[NH2+]Cc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000435720185 305146239 /nfs/dbraw/zinc/14/62/39/305146239.db2.gz VZHYJPZTQCWTOJ-UHFFFAOYSA-N 2 2 332.404 1.305 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C ZINC000436061076 305151873 /nfs/dbraw/zinc/15/18/73/305151873.db2.gz OWGVMALKHYZACN-KRWDZBQOSA-N 2 2 346.475 1.561 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C ZINC000436061076 305151874 /nfs/dbraw/zinc/15/18/74/305151874.db2.gz OWGVMALKHYZACN-KRWDZBQOSA-N 2 2 346.475 1.561 20 0 EDADLP c1cc(C[NH2+]CC[C@@H]2CCOC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000438221485 305183458 /nfs/dbraw/zinc/18/34/58/305183458.db2.gz WTUOTXMIUMNTQW-QGZVFWFLSA-N 2 2 334.460 1.914 20 0 EDADLP c1cc(C[NH2+]CC[C@H]2CCOC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000438221484 305183508 /nfs/dbraw/zinc/18/35/08/305183508.db2.gz WTUOTXMIUMNTQW-KRWDZBQOSA-N 2 2 334.460 1.914 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC000440531723 305209414 /nfs/dbraw/zinc/20/94/14/305209414.db2.gz CUWYMKXMPLVPMZ-HUUCEWRRSA-N 2 2 327.448 1.474 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC000440531723 305209415 /nfs/dbraw/zinc/20/94/15/305209415.db2.gz CUWYMKXMPLVPMZ-HUUCEWRRSA-N 2 2 327.448 1.474 20 0 EDADLP CCOC(=O)[C@H](CC)N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000441030029 305216780 /nfs/dbraw/zinc/21/67/80/305216780.db2.gz GXUHWHNMXFLAJV-KRWDZBQOSA-N 2 2 325.497 1.819 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC(N)=O)c(C)c1 ZINC000441386990 305221877 /nfs/dbraw/zinc/22/18/77/305221877.db2.gz XNQMOVNBAGTUCA-ZFWWWQNUSA-N 2 2 329.404 1.414 20 0 EDADLP C[C@H]1[C@@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCC[N@@H+]1C ZINC000443043404 305233671 /nfs/dbraw/zinc/23/36/71/305233671.db2.gz FXCWTRIPFIACMP-HOCLYGCPSA-N 2 2 348.472 1.692 20 0 EDADLP C[C@H]1[C@@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCC[N@H+]1C ZINC000443043404 305233672 /nfs/dbraw/zinc/23/36/72/305233672.db2.gz FXCWTRIPFIACMP-HOCLYGCPSA-N 2 2 348.472 1.692 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2cccnc2o1 ZINC000449111543 305306928 /nfs/dbraw/zinc/30/69/28/305306928.db2.gz MXPYWRVDNOCHJM-INIZCTEOSA-N 2 2 330.432 1.860 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2cccnc2o1 ZINC000449111543 305306929 /nfs/dbraw/zinc/30/69/29/305306929.db2.gz MXPYWRVDNOCHJM-INIZCTEOSA-N 2 2 330.432 1.860 20 0 EDADLP O[C@@]1(C(F)F)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451421394 305345134 /nfs/dbraw/zinc/34/51/34/305345134.db2.gz BNAFNULJUWYYKE-WMZOPIPTSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@@]1(C(F)F)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451421394 305345135 /nfs/dbraw/zinc/34/51/35/305345135.db2.gz BNAFNULJUWYYKE-WMZOPIPTSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@@]1(C(F)F)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000451421394 305345136 /nfs/dbraw/zinc/34/51/36/305345136.db2.gz BNAFNULJUWYYKE-WMZOPIPTSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@@]1(C(F)F)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451421394 305345137 /nfs/dbraw/zinc/34/51/37/305345137.db2.gz BNAFNULJUWYYKE-WMZOPIPTSA-N 2 2 340.414 1.979 20 0 EDADLP CC1(C)COC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451807456 305370337 /nfs/dbraw/zinc/37/03/37/305370337.db2.gz BIIGBEQCMFQVAB-OAHLLOKOSA-N 2 2 337.489 1.407 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000451969040 305374943 /nfs/dbraw/zinc/37/49/43/305374943.db2.gz KCOFRMICJAHELW-OAHLLOKOSA-N 2 2 339.505 1.853 20 0 EDADLP C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000452063665 305381525 /nfs/dbraw/zinc/38/15/25/305381525.db2.gz BXTJVDRIRCVKEV-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000452063665 305381526 /nfs/dbraw/zinc/38/15/26/305381526.db2.gz BXTJVDRIRCVKEV-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000452369337 305393777 /nfs/dbraw/zinc/39/37/77/305393777.db2.gz RSIDWBHJILDFMX-ZWKOTPCHSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000452369337 305393778 /nfs/dbraw/zinc/39/37/78/305393778.db2.gz RSIDWBHJILDFMX-ZWKOTPCHSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000452369337 305393779 /nfs/dbraw/zinc/39/37/79/305393779.db2.gz RSIDWBHJILDFMX-ZWKOTPCHSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000452369337 305393780 /nfs/dbraw/zinc/39/37/80/305393780.db2.gz RSIDWBHJILDFMX-ZWKOTPCHSA-N 2 2 331.460 1.224 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452391874 305397344 /nfs/dbraw/zinc/39/73/44/305397344.db2.gz QPWKFDKWPCSOES-OAHLLOKOSA-N 2 2 344.459 1.562 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452391874 305397345 /nfs/dbraw/zinc/39/73/45/305397345.db2.gz QPWKFDKWPCSOES-OAHLLOKOSA-N 2 2 344.459 1.562 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCCO1 ZINC000425897296 447353646 /nfs/dbraw/zinc/35/36/46/447353646.db2.gz STHDISSCUMZZAT-OAHLLOKOSA-N 3 2 336.480 1.732 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCCO1 ZINC000425897296 447353651 /nfs/dbraw/zinc/35/36/51/447353651.db2.gz STHDISSCUMZZAT-OAHLLOKOSA-N 3 2 336.480 1.732 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000516262887 305735510 /nfs/dbraw/zinc/73/55/10/305735510.db2.gz CHUWDMWHTDXBNV-GDBMZVCRSA-N 2 2 336.505 1.963 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@]3(CO)COCC4(CCC4)N3C)n2c1 ZINC000527753474 305856962 /nfs/dbraw/zinc/85/69/62/305856962.db2.gz LDYPOORKULFUPH-LJQANCHMSA-N 2 2 344.459 1.348 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)n1C ZINC000419708709 447364836 /nfs/dbraw/zinc/36/48/36/447364836.db2.gz NRALUOZXRUXICY-UHFFFAOYSA-N 2 2 341.415 1.262 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000534109194 306003627 /nfs/dbraw/zinc/00/36/27/306003627.db2.gz DNUZVKIOTJDZND-UHFFFAOYSA-N 2 2 331.464 1.161 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580896 306008089 /nfs/dbraw/zinc/00/80/89/306008089.db2.gz UWFFZUAQEOQLGY-GOEBONIOSA-N 2 2 342.443 1.923 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580896 306008090 /nfs/dbraw/zinc/00/80/90/306008090.db2.gz UWFFZUAQEOQLGY-GOEBONIOSA-N 2 2 342.443 1.923 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000536068178 306019293 /nfs/dbraw/zinc/01/92/93/306019293.db2.gz UXHILUMRDNLNLH-OAHLLOKOSA-N 2 2 348.472 1.660 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000536068178 306019294 /nfs/dbraw/zinc/01/92/94/306019294.db2.gz UXHILUMRDNLNLH-OAHLLOKOSA-N 2 2 348.472 1.660 20 0 EDADLP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000542466770 306054291 /nfs/dbraw/zinc/05/42/91/306054291.db2.gz AVTWPIKADQOTCI-QGZVFWFLSA-N 2 2 348.472 1.975 20 0 EDADLP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000542466770 306054292 /nfs/dbraw/zinc/05/42/92/306054292.db2.gz AVTWPIKADQOTCI-QGZVFWFLSA-N 2 2 348.472 1.975 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccon1 ZINC000543475955 306064121 /nfs/dbraw/zinc/06/41/21/306064121.db2.gz SYZCZKRWOFICGN-CYBMUJFWSA-N 2 2 335.452 1.593 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)CC[NH+](C)C2CCCCC2)CCO1 ZINC000548064182 306118883 /nfs/dbraw/zinc/11/88/83/306118883.db2.gz POESVXWIRBNSQW-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)CC[NH+](C)C2CCCCC2)CCO1 ZINC000548064182 306118884 /nfs/dbraw/zinc/11/88/84/306118884.db2.gz POESVXWIRBNSQW-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)CC[N@H+](C)C2CCCCC2)CCO1 ZINC000548064182 306118885 /nfs/dbraw/zinc/11/88/85/306118885.db2.gz POESVXWIRBNSQW-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)CC[N@@H+](C)C2CCCCC2)CCO1 ZINC000548064182 306118886 /nfs/dbraw/zinc/11/88/86/306118886.db2.gz POESVXWIRBNSQW-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000548779725 306137768 /nfs/dbraw/zinc/13/77/68/306137768.db2.gz CQHWBNPKPKSHIO-HNNXBMFYSA-N 2 2 326.404 1.638 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000548779725 306137769 /nfs/dbraw/zinc/13/77/69/306137769.db2.gz CQHWBNPKPKSHIO-HNNXBMFYSA-N 2 2 326.404 1.638 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000551245177 306156876 /nfs/dbraw/zinc/15/68/76/306156876.db2.gz ARISPCXZGFFTMB-QGZVFWFLSA-N 2 2 339.443 1.999 20 0 EDADLP C[C@@H](CNC(=O)C(=O)NCCCCn1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000551863967 306163923 /nfs/dbraw/zinc/16/39/23/306163923.db2.gz VPAPOBAXTRGHJO-INIZCTEOSA-N 2 2 349.479 1.016 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC000552158511 306176557 /nfs/dbraw/zinc/17/65/57/306176557.db2.gz KJQOSVAPQSQYGQ-GDBMZVCRSA-N 2 2 348.491 1.422 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[NH+]1CC(C)C1 ZINC000553308437 306183902 /nfs/dbraw/zinc/18/39/02/306183902.db2.gz WJLFNXCXIDHKDO-INIZCTEOSA-N 2 2 348.466 1.404 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)C2 ZINC000553892059 306187622 /nfs/dbraw/zinc/18/76/22/306187622.db2.gz JTCSRHKQROKIAY-JKIFEVAISA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C)C2 ZINC000553892059 306187623 /nfs/dbraw/zinc/18/76/23/306187623.db2.gz JTCSRHKQROKIAY-JKIFEVAISA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)CC2 ZINC000553892059 306187624 /nfs/dbraw/zinc/18/76/24/306187624.db2.gz JTCSRHKQROKIAY-JKIFEVAISA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C)CC2 ZINC000553892059 306187625 /nfs/dbraw/zinc/18/76/25/306187625.db2.gz JTCSRHKQROKIAY-JKIFEVAISA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC1 ZINC000556774893 306217418 /nfs/dbraw/zinc/21/74/18/306217418.db2.gz GONJIQKCBRVMAQ-QGZVFWFLSA-N 2 2 345.491 1.660 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC1 ZINC000556774893 306217419 /nfs/dbraw/zinc/21/74/19/306217419.db2.gz GONJIQKCBRVMAQ-QGZVFWFLSA-N 2 2 345.491 1.660 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000556856373 306220629 /nfs/dbraw/zinc/22/06/29/306220629.db2.gz PIHPEFNSCBBQPK-DZKIICNBSA-N 2 2 338.448 1.264 20 0 EDADLP CCC1(CC)[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[C@@H](C)[C@H]1OC ZINC000557185442 306225722 /nfs/dbraw/zinc/22/57/22/306225722.db2.gz CUEAZJRGEBTTDA-LXTVHRRPSA-N 2 2 326.485 1.110 20 0 EDADLP CCC1(CC)[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@@H](C)[C@H]1OC ZINC000557185442 306225723 /nfs/dbraw/zinc/22/57/23/306225723.db2.gz CUEAZJRGEBTTDA-LXTVHRRPSA-N 2 2 326.485 1.110 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000557339411 306227597 /nfs/dbraw/zinc/22/75/97/306227597.db2.gz RESFIEQJAFGOTA-QGZVFWFLSA-N 2 2 342.447 1.629 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000557339411 306227598 /nfs/dbraw/zinc/22/75/98/306227598.db2.gz RESFIEQJAFGOTA-QGZVFWFLSA-N 2 2 342.447 1.629 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493696119 447370652 /nfs/dbraw/zinc/37/06/52/447370652.db2.gz WOMIYEDVOLZAQG-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493696119 447370660 /nfs/dbraw/zinc/37/06/60/447370660.db2.gz WOMIYEDVOLZAQG-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000456386926 447382700 /nfs/dbraw/zinc/38/27/00/447382700.db2.gz RTVFONKDLJWBQV-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000456386926 447382706 /nfs/dbraw/zinc/38/27/06/447382706.db2.gz RTVFONKDLJWBQV-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000456386926 447382711 /nfs/dbraw/zinc/38/27/11/447382711.db2.gz RTVFONKDLJWBQV-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000456386926 447382717 /nfs/dbraw/zinc/38/27/17/447382717.db2.gz RTVFONKDLJWBQV-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C[NH+](C)C ZINC000458504983 447392378 /nfs/dbraw/zinc/39/23/78/447392378.db2.gz FSNIYADAJFVTHZ-SOUVJXGZSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C[NH+](C)C ZINC000458504983 447392384 /nfs/dbraw/zinc/39/23/84/447392384.db2.gz FSNIYADAJFVTHZ-SOUVJXGZSA-N 2 2 326.485 1.125 20 0 EDADLP C[NH+]1CCC(CNC(=O)/C=C/[C@H]2CCOC2)([NH+]2CCCCC2)CC1 ZINC000493783303 447393887 /nfs/dbraw/zinc/39/38/87/447393887.db2.gz HKKZVIZYKBNKNH-RTRPANQVSA-N 2 2 335.492 1.646 20 0 EDADLP Cc1ccc(O)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000378143197 447403970 /nfs/dbraw/zinc/40/39/70/447403970.db2.gz OHKUNUXVYSZMET-INIZCTEOSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1ccc(O)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000378143197 447403975 /nfs/dbraw/zinc/40/39/75/447403975.db2.gz OHKUNUXVYSZMET-INIZCTEOSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415301531 447406061 /nfs/dbraw/zinc/40/60/61/447406061.db2.gz BIYXVVLFLJOLJH-HUUCEWRRSA-N 2 2 347.463 1.866 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000415302009 447406087 /nfs/dbraw/zinc/40/60/87/447406087.db2.gz MNOXQAAVYKQTPG-QGZVFWFLSA-N 2 2 333.436 1.476 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000419804101 447423002 /nfs/dbraw/zinc/42/30/02/447423002.db2.gz NWIWFMFAAHCUGS-CABCVRRESA-N 2 2 347.463 1.070 20 0 EDADLP CC[NH+](CC)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000045544473 441000153 /nfs/dbraw/zinc/00/01/53/441000153.db2.gz FCIMEDPFWWXVDC-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP CC[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000045753163 441030815 /nfs/dbraw/zinc/03/08/15/441030815.db2.gz OEKWMWGZUULZMC-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP CC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000045753163 441030821 /nfs/dbraw/zinc/03/08/21/441030821.db2.gz OEKWMWGZUULZMC-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)OC[C@@H]3C)CC2)c1 ZINC000045785860 441036435 /nfs/dbraw/zinc/03/64/35/441036435.db2.gz YZCUUHOUVFTPIU-ROUUACIJSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)OC[C@@H]3C)CC2)c1 ZINC000045785860 441036440 /nfs/dbraw/zinc/03/64/40/441036440.db2.gz YZCUUHOUVFTPIU-ROUUACIJSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000045839091 441047117 /nfs/dbraw/zinc/04/71/17/441047117.db2.gz BOEYDPSLKQFNRF-ROUUACIJSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000045839091 441047123 /nfs/dbraw/zinc/04/71/23/441047123.db2.gz BOEYDPSLKQFNRF-ROUUACIJSA-N 2 2 345.487 1.748 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000057169600 441095227 /nfs/dbraw/zinc/09/52/27/441095227.db2.gz QVPMCCJXPNUOID-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000057169600 441095230 /nfs/dbraw/zinc/09/52/30/441095230.db2.gz QVPMCCJXPNUOID-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1CCC[C@](CNC(=O)N(C)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000105173869 441240237 /nfs/dbraw/zinc/24/02/37/441240237.db2.gz ZCOJLQTVVGJBJS-WMZOPIPTSA-N 2 2 340.512 1.471 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N(C(C)C)C(C)C)CC2)c1 ZINC000104719187 441201930 /nfs/dbraw/zinc/20/19/30/441201930.db2.gz GAJPARFJXPWYEP-UHFFFAOYSA-N 2 2 334.464 1.858 20 0 EDADLP C[C@@H](c1cccs1)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000016434965 441224518 /nfs/dbraw/zinc/22/45/18/441224518.db2.gz ORQASYLUMKNVCU-AWEZNQCLSA-N 2 2 339.505 1.968 20 0 EDADLP C[C@@H](c1cccs1)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000016434965 441224521 /nfs/dbraw/zinc/22/45/21/441224521.db2.gz ORQASYLUMKNVCU-AWEZNQCLSA-N 2 2 339.505 1.968 20 0 EDADLP Cc1noc(C)c1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105190943 441242203 /nfs/dbraw/zinc/24/22/03/441242203.db2.gz OIAGSXNRDPVOBR-UHFFFAOYSA-N 2 2 337.468 1.459 20 0 EDADLP Cc1noc(C)c1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105190943 441242208 /nfs/dbraw/zinc/24/22/08/441242208.db2.gz OIAGSXNRDPVOBR-UHFFFAOYSA-N 2 2 337.468 1.459 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[N@H+](C)C(C)C)c2[nH+]ccn2C)c1 ZINC000063466202 441330376 /nfs/dbraw/zinc/33/03/76/441330376.db2.gz MNVLRSIAWUOVHQ-QGZVFWFLSA-N 2 2 330.432 1.975 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[N@@H+](C)C(C)C)c2[nH+]ccn2C)c1 ZINC000063466202 441330378 /nfs/dbraw/zinc/33/03/78/441330378.db2.gz MNVLRSIAWUOVHQ-QGZVFWFLSA-N 2 2 330.432 1.975 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000073633427 441335882 /nfs/dbraw/zinc/33/58/82/441335882.db2.gz JMBCGBAKMQPBGU-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000073633427 441335886 /nfs/dbraw/zinc/33/58/86/441335886.db2.gz JMBCGBAKMQPBGU-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CCOCC1 ZINC000073132921 441296908 /nfs/dbraw/zinc/29/69/08/441296908.db2.gz XCMMDLUBTHEVLQ-MRXNPFEDSA-N 2 2 346.475 1.525 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000081634298 441297475 /nfs/dbraw/zinc/29/74/75/441297475.db2.gz PQBJTAACGWIPAG-INIZCTEOSA-N 2 2 326.444 1.858 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000081634298 441297482 /nfs/dbraw/zinc/29/74/82/441297482.db2.gz PQBJTAACGWIPAG-INIZCTEOSA-N 2 2 326.444 1.858 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000081634298 441297485 /nfs/dbraw/zinc/29/74/85/441297485.db2.gz PQBJTAACGWIPAG-INIZCTEOSA-N 2 2 326.444 1.858 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000081634298 441297488 /nfs/dbraw/zinc/29/74/88/441297488.db2.gz PQBJTAACGWIPAG-INIZCTEOSA-N 2 2 326.444 1.858 20 0 EDADLP CCc1ncncc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797805 441389778 /nfs/dbraw/zinc/38/97/78/441389778.db2.gz NFWREPQXMIXQQT-UHFFFAOYSA-N 2 2 331.464 1.327 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000050802646 441390553 /nfs/dbraw/zinc/39/05/53/441390553.db2.gz NEIRYTHDMMCLCG-UHFFFAOYSA-N 2 2 344.459 1.074 20 0 EDADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000084365347 441395444 /nfs/dbraw/zinc/39/54/44/441395444.db2.gz NTFROFDEQOREJP-GOSISDBHSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000084365347 441395448 /nfs/dbraw/zinc/39/54/48/441395448.db2.gz NTFROFDEQOREJP-GOSISDBHSA-N 2 2 331.460 1.440 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000063744266 441348960 /nfs/dbraw/zinc/34/89/60/441348960.db2.gz CHBYOXGIEIGULR-UHFFFAOYSA-N 2 2 330.432 1.630 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000063744266 441348965 /nfs/dbraw/zinc/34/89/65/441348965.db2.gz CHBYOXGIEIGULR-UHFFFAOYSA-N 2 2 330.432 1.630 20 0 EDADLP CC1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000083417619 441359112 /nfs/dbraw/zinc/35/91/12/441359112.db2.gz IFHOVQPCEIJASP-UHFFFAOYSA-N 2 2 348.516 1.948 20 0 EDADLP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000083417619 441359119 /nfs/dbraw/zinc/35/91/19/441359119.db2.gz IFHOVQPCEIJASP-UHFFFAOYSA-N 2 2 348.516 1.948 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073846102 441360310 /nfs/dbraw/zinc/36/03/10/441360310.db2.gz CLVSXYHGCVIHCF-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073846102 441360314 /nfs/dbraw/zinc/36/03/14/441360314.db2.gz CLVSXYHGCVIHCF-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073846102 441360319 /nfs/dbraw/zinc/36/03/19/441360319.db2.gz CLVSXYHGCVIHCF-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073846102 441360321 /nfs/dbraw/zinc/36/03/21/441360321.db2.gz CLVSXYHGCVIHCF-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP Cc1cc(NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000107854544 441431694 /nfs/dbraw/zinc/43/16/94/441431694.db2.gz OIVBEGNAYPQTBR-RYUDHWBXSA-N 2 2 338.249 1.847 20 0 EDADLP COC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000074580012 441446832 /nfs/dbraw/zinc/44/68/32/441446832.db2.gz GVOZZKQOXWNBBC-INIZCTEOSA-N 2 2 328.501 1.325 20 0 EDADLP COC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000074580012 441446837 /nfs/dbraw/zinc/44/68/37/441446837.db2.gz GVOZZKQOXWNBBC-INIZCTEOSA-N 2 2 328.501 1.325 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCSC2)([NH+]2CCCCC2)CC1 ZINC000074768208 441465320 /nfs/dbraw/zinc/46/53/20/441465320.db2.gz VWCKALFMRDUPIX-OAHLLOKOSA-N 2 2 340.537 1.741 20 0 EDADLP CC(C)N(C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C(C)C ZINC000109755556 441504498 /nfs/dbraw/zinc/50/44/98/441504498.db2.gz NAVWHGRDYABEMS-SFHVURJKSA-N 2 2 338.540 1.734 20 0 EDADLP CC(C)N(C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C(C)C ZINC000109755556 441504500 /nfs/dbraw/zinc/50/45/00/441504500.db2.gz NAVWHGRDYABEMS-SFHVURJKSA-N 2 2 338.540 1.734 20 0 EDADLP COC(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000112921484 441568967 /nfs/dbraw/zinc/56/89/67/441568967.db2.gz HSXWIQZHGSAXAK-UHFFFAOYSA-N 2 2 347.459 1.571 20 0 EDADLP COC(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000112921484 441568968 /nfs/dbraw/zinc/56/89/68/441568968.db2.gz HSXWIQZHGSAXAK-UHFFFAOYSA-N 2 2 347.459 1.571 20 0 EDADLP CC[N@H+](CCN1C(=O)CNC1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108689 441599270 /nfs/dbraw/zinc/59/92/70/441599270.db2.gz CKUPVAXCPZKJEB-UHFFFAOYSA-N 2 2 345.447 1.172 20 0 EDADLP CC[N@@H+](CCN1C(=O)CNC1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108689 441599273 /nfs/dbraw/zinc/59/92/73/441599273.db2.gz CKUPVAXCPZKJEB-UHFFFAOYSA-N 2 2 345.447 1.172 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2)C[C@@H](C)O1 ZINC000114125455 441636328 /nfs/dbraw/zinc/63/63/28/441636328.db2.gz VHCILHDVZFLODA-ZIAGYGMSSA-N 2 2 328.416 1.949 20 0 EDADLP CC[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000378548861 447441151 /nfs/dbraw/zinc/44/11/51/447441151.db2.gz JGSAHYXNUGARQJ-KBAYOESNSA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000378548861 447441153 /nfs/dbraw/zinc/44/11/53/447441153.db2.gz JGSAHYXNUGARQJ-KBAYOESNSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000114372299 441650041 /nfs/dbraw/zinc/65/00/41/441650041.db2.gz IPESAAHJWKKMEY-SJLPKXTDSA-N 2 2 333.476 1.386 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000114479109 441661673 /nfs/dbraw/zinc/66/16/73/441661673.db2.gz WSAAUDJXXHNOKQ-INIZCTEOSA-N 2 2 348.466 1.358 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000114479109 441661677 /nfs/dbraw/zinc/66/16/77/441661677.db2.gz WSAAUDJXXHNOKQ-INIZCTEOSA-N 2 2 348.466 1.358 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114479286 441663865 /nfs/dbraw/zinc/66/38/65/441663865.db2.gz UGQOWNMDSUVXLA-DZGCQCFKSA-N 2 2 332.448 1.856 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114479286 441663866 /nfs/dbraw/zinc/66/38/66/441663866.db2.gz UGQOWNMDSUVXLA-DZGCQCFKSA-N 2 2 332.448 1.856 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000113515600 441612971 /nfs/dbraw/zinc/61/29/71/441612971.db2.gz BTZIJNCVBIRJKV-OAHLLOKOSA-N 2 2 335.448 1.204 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000113515600 441612978 /nfs/dbraw/zinc/61/29/78/441612978.db2.gz BTZIJNCVBIRJKV-OAHLLOKOSA-N 2 2 335.448 1.204 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000173645064 441813618 /nfs/dbraw/zinc/81/36/18/441813618.db2.gz TWWVHFLEKTZLEQ-CQSZACIVSA-N 2 2 339.505 1.496 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)N1CC[NH+](CC2CC2)CC1 ZINC000068636228 441832527 /nfs/dbraw/zinc/83/25/27/441832527.db2.gz VSRJKDHCEXWARO-UHFFFAOYSA-N 2 2 328.460 1.739 20 0 EDADLP Cc1cccc(C[NH+]2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c1 ZINC000092886127 441836313 /nfs/dbraw/zinc/83/63/13/441836313.db2.gz VCJUKKJRMCHTRI-UHFFFAOYSA-N 2 2 349.442 1.875 20 0 EDADLP CCC[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC[N@@H+]1CCOC ZINC000092940918 441842971 /nfs/dbraw/zinc/84/29/71/441842971.db2.gz JTFDIRUJNGBTPW-CQSZACIVSA-N 2 2 345.451 1.182 20 0 EDADLP CCC[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC[N@H+]1CCOC ZINC000092940918 441842977 /nfs/dbraw/zinc/84/29/77/441842977.db2.gz JTFDIRUJNGBTPW-CQSZACIVSA-N 2 2 345.451 1.182 20 0 EDADLP COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1Br ZINC000122493031 441853011 /nfs/dbraw/zinc/85/30/11/441853011.db2.gz RVUSUARDNUTRIV-GFCCVEGCSA-N 2 2 328.254 1.532 20 0 EDADLP COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Br ZINC000122493031 441853017 /nfs/dbraw/zinc/85/30/17/441853017.db2.gz RVUSUARDNUTRIV-GFCCVEGCSA-N 2 2 328.254 1.532 20 0 EDADLP CC[C@@H](C)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000093063515 441855116 /nfs/dbraw/zinc/85/51/16/441855116.db2.gz QROACHXGSNTZQP-OAHLLOKOSA-N 2 2 340.493 1.169 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000123100153 441876738 /nfs/dbraw/zinc/87/67/38/441876738.db2.gz VJGSARCXAAOHED-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000174170653 441898377 /nfs/dbraw/zinc/89/83/77/441898377.db2.gz ULDDVIXKLNTLQO-SJLPKXTDSA-N 2 2 331.460 1.470 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000174548084 441937149 /nfs/dbraw/zinc/93/71/49/441937149.db2.gz YEHRJHQNDMJCSE-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000174548084 441937151 /nfs/dbraw/zinc/93/71/51/441937151.db2.gz YEHRJHQNDMJCSE-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000174548084 441937153 /nfs/dbraw/zinc/93/71/53/441937153.db2.gz YEHRJHQNDMJCSE-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000174548084 441937157 /nfs/dbraw/zinc/93/71/57/441937157.db2.gz YEHRJHQNDMJCSE-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000174548952 441937844 /nfs/dbraw/zinc/93/78/44/441937844.db2.gz WTLAZMSDHXYILZ-UHFFFAOYSA-N 2 2 337.468 1.382 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000174548952 441937849 /nfs/dbraw/zinc/93/78/49/441937849.db2.gz WTLAZMSDHXYILZ-UHFFFAOYSA-N 2 2 337.468 1.382 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NCCOc1cccc(F)c1 ZINC000150802107 441953301 /nfs/dbraw/zinc/95/33/01/441953301.db2.gz KVSBVCHAFPSMIX-MRXNPFEDSA-N 2 2 349.450 1.738 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NCCOc1cccc(F)c1 ZINC000150802107 441953305 /nfs/dbraw/zinc/95/33/05/441953305.db2.gz KVSBVCHAFPSMIX-MRXNPFEDSA-N 2 2 349.450 1.738 20 0 EDADLP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000124807092 441955126 /nfs/dbraw/zinc/95/51/26/441955126.db2.gz HOGMIPNUOYSRSB-IBGZPJMESA-N 2 2 344.503 1.405 20 0 EDADLP C[N@H+]1CCC[C@H]1CCN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000124807092 441955129 /nfs/dbraw/zinc/95/51/29/441955129.db2.gz HOGMIPNUOYSRSB-IBGZPJMESA-N 2 2 344.503 1.405 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079069625 442015894 /nfs/dbraw/zinc/01/58/94/442015894.db2.gz VWQQQMXWGUIAQR-AWEZNQCLSA-N 2 2 327.432 1.660 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079069625 442015900 /nfs/dbraw/zinc/01/59/00/442015900.db2.gz VWQQQMXWGUIAQR-AWEZNQCLSA-N 2 2 327.432 1.660 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2ccc(F)cc2)CC1 ZINC000175522694 442079699 /nfs/dbraw/zinc/07/96/99/442079699.db2.gz QBVINNGWRPQISV-UHFFFAOYSA-N 2 2 336.455 1.693 20 0 EDADLP Cc1cccc2[nH+]c(CN3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cn21 ZINC000162381923 442088015 /nfs/dbraw/zinc/08/80/15/442088015.db2.gz DZVOXOVLHPEREC-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1cccc2[nH+]c(CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cn21 ZINC000162381923 442088020 /nfs/dbraw/zinc/08/80/20/442088020.db2.gz DZVOXOVLHPEREC-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000162611827 442108074 /nfs/dbraw/zinc/10/80/74/442108074.db2.gz IQQSYNSNMQNMBQ-QGZVFWFLSA-N 2 2 335.423 1.443 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000162611827 442108079 /nfs/dbraw/zinc/10/80/79/442108079.db2.gz IQQSYNSNMQNMBQ-QGZVFWFLSA-N 2 2 335.423 1.443 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000164785834 442202628 /nfs/dbraw/zinc/20/26/28/442202628.db2.gz RIEZKVCOHORPFO-KRWDZBQOSA-N 2 2 328.416 1.316 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCc3cccnc3)CC2)CC1 ZINC000127479815 442206497 /nfs/dbraw/zinc/20/64/97/442206497.db2.gz XVAWOVDJEYUQPR-UHFFFAOYSA-N 2 2 345.491 1.482 20 0 EDADLP C[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152388560 442206816 /nfs/dbraw/zinc/20/68/16/442206816.db2.gz INHMPHTXAXTHLT-CYBMUJFWSA-N 2 2 325.403 1.855 20 0 EDADLP C[N@H+](CC(=O)NCc1cc(F)cc(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152388560 442206819 /nfs/dbraw/zinc/20/68/19/442206819.db2.gz INHMPHTXAXTHLT-CYBMUJFWSA-N 2 2 325.403 1.855 20 0 EDADLP C[NH+](CC(=O)NCc1cc(F)cc(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152388560 442206821 /nfs/dbraw/zinc/20/68/21/442206821.db2.gz INHMPHTXAXTHLT-CYBMUJFWSA-N 2 2 325.403 1.855 20 0 EDADLP C[NH+](CC(=O)NCc1cc(F)cc(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152388560 442206824 /nfs/dbraw/zinc/20/68/24/442206824.db2.gz INHMPHTXAXTHLT-CYBMUJFWSA-N 2 2 325.403 1.855 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152413698 442209813 /nfs/dbraw/zinc/20/98/13/442209813.db2.gz STWAGHNTAICKNB-INIZCTEOSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152413698 442209817 /nfs/dbraw/zinc/20/98/17/442209817.db2.gz STWAGHNTAICKNB-INIZCTEOSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152413698 442209821 /nfs/dbraw/zinc/20/98/21/442209821.db2.gz STWAGHNTAICKNB-INIZCTEOSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152413698 442209824 /nfs/dbraw/zinc/20/98/24/442209824.db2.gz STWAGHNTAICKNB-INIZCTEOSA-N 2 2 333.476 1.723 20 0 EDADLP COc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)CC2 ZINC000168907603 442225411 /nfs/dbraw/zinc/22/54/11/442225411.db2.gz IADCDQQEQWMRAM-FQEVSTJZSA-N 2 2 347.503 1.662 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000128561066 442275256 /nfs/dbraw/zinc/27/52/56/442275256.db2.gz LRADEUAUOHQOSQ-MRXNPFEDSA-N 2 2 326.400 1.533 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000128561066 442275258 /nfs/dbraw/zinc/27/52/58/442275258.db2.gz LRADEUAUOHQOSQ-MRXNPFEDSA-N 2 2 326.400 1.533 20 0 EDADLP C[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)Cc1ccc(F)cc1 ZINC000153354262 442277670 /nfs/dbraw/zinc/27/76/70/442277670.db2.gz KHPCANIMBZMUJO-OAHLLOKOSA-N 2 2 330.407 1.833 20 0 EDADLP C[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)Cc1ccc(F)cc1 ZINC000153354262 442277672 /nfs/dbraw/zinc/27/76/72/442277672.db2.gz KHPCANIMBZMUJO-OAHLLOKOSA-N 2 2 330.407 1.833 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000170763973 442260050 /nfs/dbraw/zinc/26/00/50/442260050.db2.gz TYSPCZCDVJSGKK-GOSISDBHSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000170763973 442260052 /nfs/dbraw/zinc/26/00/52/442260052.db2.gz TYSPCZCDVJSGKK-GOSISDBHSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3cnccn3)c2cc1C ZINC000177254627 442320397 /nfs/dbraw/zinc/32/03/97/442320397.db2.gz GTFMHVAYQMDIGJ-MRXNPFEDSA-N 2 2 325.416 1.936 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3cnccn3)c2cc1C ZINC000177254627 442320398 /nfs/dbraw/zinc/32/03/98/442320398.db2.gz GTFMHVAYQMDIGJ-MRXNPFEDSA-N 2 2 325.416 1.936 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377905 442333760 /nfs/dbraw/zinc/33/37/60/442333760.db2.gz XAIDGWFNMGCDRP-IAGOWNOFSA-N 2 2 338.540 1.734 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377905 442333761 /nfs/dbraw/zinc/33/37/61/442333761.db2.gz XAIDGWFNMGCDRP-IAGOWNOFSA-N 2 2 338.540 1.734 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377905 442333763 /nfs/dbraw/zinc/33/37/63/442333763.db2.gz XAIDGWFNMGCDRP-IAGOWNOFSA-N 2 2 338.540 1.734 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377905 442333765 /nfs/dbraw/zinc/33/37/65/442333765.db2.gz XAIDGWFNMGCDRP-IAGOWNOFSA-N 2 2 338.540 1.734 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)NCC(F)(F)F)CC1 ZINC000177488462 442348744 /nfs/dbraw/zinc/34/87/44/442348744.db2.gz KBXZPNRSDZVLTQ-GFCCVEGCSA-N 2 2 339.402 1.532 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH+]1CCOCC1 ZINC000130650072 442352741 /nfs/dbraw/zinc/35/27/41/442352741.db2.gz ANHVOBXDLLNKOF-CVEARBPZSA-N 2 2 334.464 1.309 20 0 EDADLP CC(C)C[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC000153908470 442309845 /nfs/dbraw/zinc/30/98/45/442309845.db2.gz SAKLUVIHIAZIKM-HZPDHXFCSA-N 2 2 343.537 1.287 20 0 EDADLP CC(C)C[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC000153908470 442309848 /nfs/dbraw/zinc/30/98/48/442309848.db2.gz SAKLUVIHIAZIKM-HZPDHXFCSA-N 2 2 343.537 1.287 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171105047 442313012 /nfs/dbraw/zinc/31/30/12/442313012.db2.gz MTLPLPBUXASPKT-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171105047 442313015 /nfs/dbraw/zinc/31/30/15/442313015.db2.gz MTLPLPBUXASPKT-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171105047 442313017 /nfs/dbraw/zinc/31/30/17/442313017.db2.gz MTLPLPBUXASPKT-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171105047 442313019 /nfs/dbraw/zinc/31/30/19/442313019.db2.gz MTLPLPBUXASPKT-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CCOc1c(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(C)nn1CC(C)C ZINC000131364288 442370500 /nfs/dbraw/zinc/37/05/00/442370500.db2.gz YWWOWAXKELJEEY-KRWDZBQOSA-N 2 2 326.485 1.648 20 0 EDADLP CCO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000132299857 442390938 /nfs/dbraw/zinc/39/09/38/442390938.db2.gz XAQXSVFJEKEYKD-HUUCEWRRSA-N 2 2 337.468 1.379 20 0 EDADLP CCO[C@H](C)c1noc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000132299857 442390943 /nfs/dbraw/zinc/39/09/43/442390943.db2.gz XAQXSVFJEKEYKD-HUUCEWRRSA-N 2 2 337.468 1.379 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000132894725 442402511 /nfs/dbraw/zinc/40/25/11/442402511.db2.gz XDZKUUOWTCNOCT-HZPDHXFCSA-N 2 2 346.475 1.595 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000178091344 442406810 /nfs/dbraw/zinc/40/68/10/442406810.db2.gz PXXHGOFEBYOOJE-GOSISDBHSA-N 2 2 331.460 1.299 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000178091344 442406812 /nfs/dbraw/zinc/40/68/12/442406812.db2.gz PXXHGOFEBYOOJE-GOSISDBHSA-N 2 2 331.460 1.299 20 0 EDADLP Cc1noc(C2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000172246742 442429809 /nfs/dbraw/zinc/42/98/09/442429809.db2.gz OLPMBRUFOYUBDM-UHFFFAOYSA-N 2 2 349.479 1.546 20 0 EDADLP C[N@H+](CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CCCC1 ZINC000155898541 442435218 /nfs/dbraw/zinc/43/52/18/442435218.db2.gz COTJVGAPHYCGBH-UHFFFAOYSA-N 2 2 345.491 1.194 20 0 EDADLP C[N@@H+](CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CCCC1 ZINC000155898541 442435219 /nfs/dbraw/zinc/43/52/19/442435219.db2.gz COTJVGAPHYCGBH-UHFFFAOYSA-N 2 2 345.491 1.194 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000133914000 442439875 /nfs/dbraw/zinc/43/98/75/442439875.db2.gz WFXCUVFJWNAQEN-IAGOWNOFSA-N 2 2 345.487 1.518 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000133914000 442439879 /nfs/dbraw/zinc/43/98/79/442439879.db2.gz WFXCUVFJWNAQEN-IAGOWNOFSA-N 2 2 345.487 1.518 20 0 EDADLP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000191783114 442509951 /nfs/dbraw/zinc/50/99/51/442509951.db2.gz GYCBUNUFODHAGD-KRWDZBQOSA-N 2 2 338.540 1.783 20 0 EDADLP Cc1cc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)cc[nH+]1 ZINC000179802018 442505079 /nfs/dbraw/zinc/50/50/79/442505079.db2.gz BMLFAGFZUHQNFE-UHFFFAOYSA-N 2 2 333.436 1.312 20 0 EDADLP CCn1nc(C)c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000179519067 442470048 /nfs/dbraw/zinc/47/00/48/442470048.db2.gz KWFNWIUBHRILBX-UHFFFAOYSA-N 2 2 336.484 1.667 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccncc3)CC2)CC1 ZINC000191609964 442476025 /nfs/dbraw/zinc/47/60/25/442476025.db2.gz XCPXPJIVXRGWTD-MRXNPFEDSA-N 2 2 330.476 1.814 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC1CCOCC1 ZINC000179625104 442482976 /nfs/dbraw/zinc/48/29/76/442482976.db2.gz FKMGFXNYUIKSIA-MRXNPFEDSA-N 2 2 346.475 1.477 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC1CCOCC1 ZINC000179625104 442482981 /nfs/dbraw/zinc/48/29/81/442482981.db2.gz FKMGFXNYUIKSIA-MRXNPFEDSA-N 2 2 346.475 1.477 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000179847074 442511415 /nfs/dbraw/zinc/51/14/15/442511415.db2.gz FDELSDIUFIEDCY-UHFFFAOYSA-N 2 2 333.436 1.312 20 0 EDADLP Cc1ccc(C)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000178905982 442521088 /nfs/dbraw/zinc/52/10/88/442521088.db2.gz SJUUVZOSPXEJGO-SFHVURJKSA-N 2 2 331.460 1.326 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134874228 442530885 /nfs/dbraw/zinc/53/08/85/442530885.db2.gz HBWJBTDQSUFIGD-GDBMZVCRSA-N 2 2 336.480 1.561 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134874228 442530887 /nfs/dbraw/zinc/53/08/87/442530887.db2.gz HBWJBTDQSUFIGD-GDBMZVCRSA-N 2 2 336.480 1.561 20 0 EDADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134874228 442530888 /nfs/dbraw/zinc/53/08/88/442530888.db2.gz HBWJBTDQSUFIGD-GDBMZVCRSA-N 2 2 336.480 1.561 20 0 EDADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134874228 442530890 /nfs/dbraw/zinc/53/08/90/442530890.db2.gz HBWJBTDQSUFIGD-GDBMZVCRSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@H](C)O1 ZINC000134891073 442533402 /nfs/dbraw/zinc/53/34/02/442533402.db2.gz KUYFDCVHHACWFV-KYHPRHEASA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@H](C)O1 ZINC000134891073 442533410 /nfs/dbraw/zinc/53/34/10/442533410.db2.gz KUYFDCVHHACWFV-KYHPRHEASA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@H](C)O1 ZINC000134891073 442533414 /nfs/dbraw/zinc/53/34/14/442533414.db2.gz KUYFDCVHHACWFV-KYHPRHEASA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@H](C)O1 ZINC000134891073 442533419 /nfs/dbraw/zinc/53/34/19/442533419.db2.gz KUYFDCVHHACWFV-KYHPRHEASA-N 2 2 335.492 1.571 20 0 EDADLP CC(C)OCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172753069 442533708 /nfs/dbraw/zinc/53/37/08/442533708.db2.gz RGVPRCNJXGAFFH-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000135972536 442643887 /nfs/dbraw/zinc/64/38/87/442643887.db2.gz DQCSAIKBKIHISP-MRXNPFEDSA-N 2 2 342.443 1.702 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCCCCO)CC2)CC1 ZINC000180698765 442649841 /nfs/dbraw/zinc/64/98/41/442649841.db2.gz RKKPJRVHEZLBGK-UHFFFAOYSA-N 2 2 340.512 1.397 20 0 EDADLP CC[N@H+](CCO)CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000187118072 442653726 /nfs/dbraw/zinc/65/37/26/442653726.db2.gz FDVFTKUXVJEWLR-UHFFFAOYSA-N 2 2 345.447 1.045 20 0 EDADLP CC[N@@H+](CCO)CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000187118072 442653730 /nfs/dbraw/zinc/65/37/30/442653730.db2.gz FDVFTKUXVJEWLR-UHFFFAOYSA-N 2 2 345.447 1.045 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C(C)(C)C)n1 ZINC000180617547 442634650 /nfs/dbraw/zinc/63/46/50/442634650.db2.gz IBVIPGDGPUMVSD-INIZCTEOSA-N 2 2 347.507 1.456 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C(C)(C)C)n1 ZINC000180617547 442634655 /nfs/dbraw/zinc/63/46/55/442634655.db2.gz IBVIPGDGPUMVSD-INIZCTEOSA-N 2 2 347.507 1.456 20 0 EDADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181043939 442677384 /nfs/dbraw/zinc/67/73/84/442677384.db2.gz YCVTWKBMKCDTAC-YESZJQIVSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181043878 442677472 /nfs/dbraw/zinc/67/74/72/442677472.db2.gz YCVTWKBMKCDTAC-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181071151 442678718 /nfs/dbraw/zinc/67/87/18/442678718.db2.gz JNNHPXYCOSOHHQ-DLBZAZTESA-N 2 2 336.480 1.917 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181071151 442678720 /nfs/dbraw/zinc/67/87/20/442678720.db2.gz JNNHPXYCOSOHHQ-DLBZAZTESA-N 2 2 336.480 1.917 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCC(C)(C)O2)CC1 ZINC000187714628 442687681 /nfs/dbraw/zinc/68/76/81/442687681.db2.gz HMXGCFDTCHNLJH-OAHLLOKOSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1CN(CC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000192835132 442691345 /nfs/dbraw/zinc/69/13/45/442691345.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1CN(CC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000192835132 442691347 /nfs/dbraw/zinc/69/13/47/442691347.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1CN(CC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000192835132 442691350 /nfs/dbraw/zinc/69/13/50/442691350.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1CN(CC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000192835132 442691353 /nfs/dbraw/zinc/69/13/53/442691353.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1C[N@H+](CCN(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000192835132 442691355 /nfs/dbraw/zinc/69/13/55/442691355.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1C[N@@H+](CCN(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000192835132 442691358 /nfs/dbraw/zinc/69/13/58/442691358.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1C[NH+](CCN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000192835132 442691360 /nfs/dbraw/zinc/69/13/60/442691360.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1C[NH+](CCN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000192835132 442691362 /nfs/dbraw/zinc/69/13/62/442691362.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1(C)C ZINC000188054038 442705529 /nfs/dbraw/zinc/70/55/29/442705529.db2.gz MPBMRJXPOQKJID-HNAYVOBHSA-N 2 2 346.475 1.831 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000136322816 442659811 /nfs/dbraw/zinc/65/98/11/442659811.db2.gz PVSPSJKPGRZITG-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000136322816 442659814 /nfs/dbraw/zinc/65/98/14/442659814.db2.gz PVSPSJKPGRZITG-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC2(O)CCCCCC2)CC1 ZINC000187334014 442670760 /nfs/dbraw/zinc/67/07/60/442670760.db2.gz ZTZZTQBDBZQYBQ-INIZCTEOSA-N 2 2 325.497 1.556 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC2(O)CCCCCC2)CC1 ZINC000187334014 442670762 /nfs/dbraw/zinc/67/07/62/442670762.db2.gz ZTZZTQBDBZQYBQ-INIZCTEOSA-N 2 2 325.497 1.556 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1nccn1C ZINC000182310169 442756257 /nfs/dbraw/zinc/75/62/57/442756257.db2.gz IPLGGBUWGMDSID-MRXNPFEDSA-N 2 2 328.464 1.808 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000182615316 442795342 /nfs/dbraw/zinc/79/53/42/442795342.db2.gz ZQZHUESQQBLPCT-UHFFFAOYSA-N 2 2 328.416 1.740 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccccn1 ZINC000267955738 442798395 /nfs/dbraw/zinc/79/83/95/442798395.db2.gz SHJSZXVOAIVHJZ-GOSISDBHSA-N 2 2 348.491 1.377 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccccn1 ZINC000267955738 442798401 /nfs/dbraw/zinc/79/84/01/442798401.db2.gz SHJSZXVOAIVHJZ-GOSISDBHSA-N 2 2 348.491 1.377 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1ccccn1 ZINC000267955738 442798404 /nfs/dbraw/zinc/79/84/04/442798404.db2.gz SHJSZXVOAIVHJZ-GOSISDBHSA-N 2 2 348.491 1.377 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccccn1 ZINC000267955738 442798408 /nfs/dbraw/zinc/79/84/08/442798408.db2.gz SHJSZXVOAIVHJZ-GOSISDBHSA-N 2 2 348.491 1.377 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193624983 442760985 /nfs/dbraw/zinc/76/09/85/442760985.db2.gz GNGYHLNWPRBAHF-CALCHBBNSA-N 2 2 331.460 1.292 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193624983 442760987 /nfs/dbraw/zinc/76/09/87/442760987.db2.gz GNGYHLNWPRBAHF-CALCHBBNSA-N 2 2 331.460 1.292 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193624983 442760989 /nfs/dbraw/zinc/76/09/89/442760989.db2.gz GNGYHLNWPRBAHF-CALCHBBNSA-N 2 2 331.460 1.292 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193624983 442760991 /nfs/dbraw/zinc/76/09/91/442760991.db2.gz GNGYHLNWPRBAHF-CALCHBBNSA-N 2 2 331.460 1.292 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000182373657 442761373 /nfs/dbraw/zinc/76/13/73/442761373.db2.gz DSVAIJRUGUNXSP-QGZVFWFLSA-N 2 2 327.513 1.922 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182373657 442761375 /nfs/dbraw/zinc/76/13/75/442761375.db2.gz DSVAIJRUGUNXSP-QGZVFWFLSA-N 2 2 327.513 1.922 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]2CCCC[C@H]12 ZINC000182474584 442773171 /nfs/dbraw/zinc/77/31/71/442773171.db2.gz GHLNGAZURSEQDS-BBWFWOEESA-N 2 2 337.508 1.724 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]2CCCC[C@H]12 ZINC000182474584 442773174 /nfs/dbraw/zinc/77/31/74/442773174.db2.gz GHLNGAZURSEQDS-BBWFWOEESA-N 2 2 337.508 1.724 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000268126019 442858302 /nfs/dbraw/zinc/85/83/02/442858302.db2.gz NDPOFMWAYIWNJC-YOEHRIQHSA-N 2 2 343.475 1.964 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000268126019 442858306 /nfs/dbraw/zinc/85/83/06/442858306.db2.gz NDPOFMWAYIWNJC-YOEHRIQHSA-N 2 2 343.475 1.964 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000163234465 318425240 /nfs/dbraw/zinc/42/52/40/318425240.db2.gz KJFSDQONNBIULQ-OAHLLOKOSA-N 2 2 344.459 1.238 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCS1 ZINC000179312311 318456513 /nfs/dbraw/zinc/45/65/13/318456513.db2.gz NVAQGPNKWXZGCY-MRXNPFEDSA-N 2 2 342.553 1.795 20 0 EDADLP Cc1cn2cc(NC(=O)N[C@@H](C)[C@H](C)[NH+]3CCOCC3)ccc2[nH+]1 ZINC000265711603 442890088 /nfs/dbraw/zinc/89/00/88/442890088.db2.gz LSXNODGDZKHCNE-KBPBESRZSA-N 2 2 331.420 1.873 20 0 EDADLP CC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1nccs1 ZINC000185065082 318541854 /nfs/dbraw/zinc/54/18/54/318541854.db2.gz OHOCPWIPNXZQPW-ZDUSSCGKSA-N 2 2 340.493 1.411 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)O1 ZINC000194754322 442950036 /nfs/dbraw/zinc/95/00/36/442950036.db2.gz HHBJRXARTCBDJL-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)O1 ZINC000194754322 442950039 /nfs/dbraw/zinc/95/00/39/442950039.db2.gz HHBJRXARTCBDJL-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000189461349 442960462 /nfs/dbraw/zinc/96/04/62/442960462.db2.gz WZLVTMOCSLWNDQ-OAHLLOKOSA-N 2 2 329.448 1.544 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000189461349 442960467 /nfs/dbraw/zinc/96/04/67/442960467.db2.gz WZLVTMOCSLWNDQ-OAHLLOKOSA-N 2 2 329.448 1.544 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1[NH+](C)C ZINC000268411054 442979583 /nfs/dbraw/zinc/97/95/83/442979583.db2.gz URCQQJWZOXLLSN-GDBMZVCRSA-N 2 2 331.464 1.773 20 0 EDADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1C ZINC000251994291 443021553 /nfs/dbraw/zinc/02/15/53/443021553.db2.gz WEGQKTXTSMUSSZ-GVDBMIGSSA-N 2 2 346.475 1.476 20 0 EDADLP COc1nccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)n1 ZINC000296084270 318663565 /nfs/dbraw/zinc/66/35/65/318663565.db2.gz QSQFJPZXMBAULN-UHFFFAOYSA-N 2 2 331.420 1.501 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000296577290 318707718 /nfs/dbraw/zinc/70/77/18/318707718.db2.gz UFTJGYWPHMHWHH-UHFFFAOYSA-N 2 2 346.435 1.238 20 0 EDADLP CN(C(=O)NC[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268619712 443054754 /nfs/dbraw/zinc/05/47/54/443054754.db2.gz YBVBLHIBCPQXRD-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NC[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268619712 443054759 /nfs/dbraw/zinc/05/47/59/443054759.db2.gz YBVBLHIBCPQXRD-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268619712 443054761 /nfs/dbraw/zinc/05/47/61/443054761.db2.gz YBVBLHIBCPQXRD-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268619712 443054766 /nfs/dbraw/zinc/05/47/66/443054766.db2.gz YBVBLHIBCPQXRD-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP Fc1cc(C[NH2+]Cc2cccc3[nH+]ccn32)cnc1N1CCOCC1 ZINC000185078717 443132189 /nfs/dbraw/zinc/13/21/89/443132189.db2.gz ULPWVAVOGFLDRG-UHFFFAOYSA-N 2 2 341.390 1.995 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1csnn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262020024 443180467 /nfs/dbraw/zinc/18/04/67/443180467.db2.gz LYNJDZXISDWCHL-CQSZACIVSA-N 2 2 332.477 1.899 20 0 EDADLP [NH3+][C@H](CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000237897953 443187011 /nfs/dbraw/zinc/18/70/11/443187011.db2.gz TYXNILOSEWJDQX-QZTJIDSGSA-N 2 2 331.460 1.790 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000299495989 318908614 /nfs/dbraw/zinc/90/86/14/318908614.db2.gz KSTZZMJUTMNDRZ-UHFFFAOYSA-N 2 2 334.420 1.409 20 0 EDADLP CCC[C@@H](O)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269237495 443245134 /nfs/dbraw/zinc/24/51/34/443245134.db2.gz XORCGOMPKDQQAO-SJORKVTESA-N 2 2 330.432 1.078 20 0 EDADLP C[C@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686469 443239261 /nfs/dbraw/zinc/23/92/61/443239261.db2.gz FTDPYESZJCXBCY-UONOGXRCSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686469 443239265 /nfs/dbraw/zinc/23/92/65/443239265.db2.gz FTDPYESZJCXBCY-UONOGXRCSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000269227936 443240801 /nfs/dbraw/zinc/24/08/01/443240801.db2.gz VFDZFXQHRDBEDO-HOTGVXAUSA-N 2 2 331.460 1.637 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H]1C ZINC000262864998 443215525 /nfs/dbraw/zinc/21/55/25/443215525.db2.gz ULWSLOZOYKFVMM-HOTGVXAUSA-N 2 2 330.476 1.256 20 0 EDADLP Cn1c[nH+]cc1Cc1noc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC000350204810 319044188 /nfs/dbraw/zinc/04/41/88/319044188.db2.gz JBYUMUCUASUHPO-UHFFFAOYSA-N 2 2 339.399 1.893 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000413917501 319302401 /nfs/dbraw/zinc/30/24/01/319302401.db2.gz KAEMUEXPWOTLFD-IAGOWNOFSA-N 2 2 347.459 1.243 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000413917501 319302403 /nfs/dbraw/zinc/30/24/03/319302403.db2.gz KAEMUEXPWOTLFD-IAGOWNOFSA-N 2 2 347.459 1.243 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000413917501 319302405 /nfs/dbraw/zinc/30/24/05/319302405.db2.gz KAEMUEXPWOTLFD-IAGOWNOFSA-N 2 2 347.459 1.243 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000413917501 319302406 /nfs/dbraw/zinc/30/24/06/319302406.db2.gz KAEMUEXPWOTLFD-IAGOWNOFSA-N 2 2 347.459 1.243 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000414673933 319339957 /nfs/dbraw/zinc/33/99/57/319339957.db2.gz DCPPVWGPUNSXIB-SFHVURJKSA-N 2 2 332.492 1.294 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246138998 443271741 /nfs/dbraw/zinc/27/17/41/443271741.db2.gz RXAUYBDCBKDASJ-GUDVDZBRSA-N 2 2 338.540 1.198 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278420549 443325599 /nfs/dbraw/zinc/32/55/99/443325599.db2.gz RLNYIIYTFYGDGR-HNNXBMFYSA-N 2 2 327.428 1.889 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000278420549 443325601 /nfs/dbraw/zinc/32/56/01/443325601.db2.gz RLNYIIYTFYGDGR-HNNXBMFYSA-N 2 2 327.428 1.889 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000264707519 443384705 /nfs/dbraw/zinc/38/47/05/443384705.db2.gz AVGHOSNXESMKRR-CYBMUJFWSA-N 2 2 325.840 1.447 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000264707519 443384707 /nfs/dbraw/zinc/38/47/07/443384707.db2.gz AVGHOSNXESMKRR-CYBMUJFWSA-N 2 2 325.840 1.447 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)o1 ZINC000278649602 443390980 /nfs/dbraw/zinc/39/09/80/443390980.db2.gz IAEQGXVRIVPYMR-HOCLYGCPSA-N 2 2 335.448 1.480 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCSC1 ZINC000267129124 443352058 /nfs/dbraw/zinc/35/20/58/443352058.db2.gz CBNZVRDDJWQXIC-MRXNPFEDSA-N 2 2 337.493 1.667 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCSC1 ZINC000267164499 443363138 /nfs/dbraw/zinc/36/31/38/443363138.db2.gz JXNHXTMKVXMGSS-BBRMVZONSA-N 2 2 337.493 1.736 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000278752613 443425789 /nfs/dbraw/zinc/42/57/89/443425789.db2.gz FMQSIRMCOPLARA-UHFFFAOYSA-N 2 2 327.432 1.647 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@]4(CNC(=O)C4)C3)c2cc1C ZINC000278783641 443437394 /nfs/dbraw/zinc/43/73/94/443437394.db2.gz DIQZDGXFPVOGEG-BEFAXECRSA-N 2 2 342.443 1.226 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@]4(CNC(=O)C4)C3)c2cc1C ZINC000278783641 443437398 /nfs/dbraw/zinc/43/73/98/443437398.db2.gz DIQZDGXFPVOGEG-BEFAXECRSA-N 2 2 342.443 1.226 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269815344 443452674 /nfs/dbraw/zinc/45/26/74/443452674.db2.gz AJZLLYIIVVWLKZ-HNNXBMFYSA-N 2 2 328.420 1.555 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H]2CCCc3sccc32)CN1CC[NH+]1CCOCC1 ZINC000271569415 443505956 /nfs/dbraw/zinc/50/59/56/443505956.db2.gz ZALIJGXVOGOOEK-ZBFHGGJFSA-N 2 2 349.500 1.648 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000423535314 319782478 /nfs/dbraw/zinc/78/24/78/319782478.db2.gz XKSVNFHKKYAWGO-RYQLBKOJSA-N 3 2 345.487 1.653 20 0 EDADLP CCOC(=O)c1ncn(C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1N ZINC000279214649 443538991 /nfs/dbraw/zinc/53/89/91/443538991.db2.gz HHRBTHIMNOQLHK-UHFFFAOYSA-N 2 2 346.435 1.566 20 0 EDADLP Cc1cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000265391519 443626055 /nfs/dbraw/zinc/62/60/55/443626055.db2.gz UWDHIFIIYIQUTQ-UHFFFAOYSA-N 2 2 343.475 1.797 20 0 EDADLP Cc1cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000265391519 443626056 /nfs/dbraw/zinc/62/60/56/443626056.db2.gz UWDHIFIIYIQUTQ-UHFFFAOYSA-N 2 2 343.475 1.797 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000430563283 319934247 /nfs/dbraw/zinc/93/42/47/319934247.db2.gz VFXQRRSEKWSLLP-HNNXBMFYSA-N 2 2 329.466 1.527 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)n(-c2ccccc2F)n1 ZINC000430577781 319935152 /nfs/dbraw/zinc/93/51/52/319935152.db2.gz VGLQRSMOVKJHLR-GOSISDBHSA-N 2 2 345.422 1.975 20 0 EDADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(=O)[nH]n1 ZINC000286174671 443662422 /nfs/dbraw/zinc/66/24/22/443662422.db2.gz QAYCFHWCYMDOLP-TZMCWYRMSA-N 2 2 328.420 1.478 20 0 EDADLP CO[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000440340299 320072077 /nfs/dbraw/zinc/07/20/77/320072077.db2.gz IZLBIFFCNLRVLF-JKSUJKDBSA-N 2 2 340.512 1.467 20 0 EDADLP CO[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000440340299 320072080 /nfs/dbraw/zinc/07/20/80/320072080.db2.gz IZLBIFFCNLRVLF-JKSUJKDBSA-N 2 2 340.512 1.467 20 0 EDADLP COC[C@@](C)(O)CC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449386138 320185996 /nfs/dbraw/zinc/18/59/96/320185996.db2.gz SPQGARCTYTYNSG-INIZCTEOSA-N 2 2 327.494 1.787 20 0 EDADLP COC[C@@](C)(O)CC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449386138 320185997 /nfs/dbraw/zinc/18/59/97/320185997.db2.gz SPQGARCTYTYNSG-INIZCTEOSA-N 2 2 327.494 1.787 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cnnn2)cc1 ZINC000453276145 320261742 /nfs/dbraw/zinc/26/17/42/320261742.db2.gz XISQQXQKHSEGON-WMLDXEAASA-N 2 2 330.436 1.160 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(-n2cnnn2)cc1 ZINC000453276145 320261743 /nfs/dbraw/zinc/26/17/43/320261743.db2.gz XISQQXQKHSEGON-WMLDXEAASA-N 2 2 330.436 1.160 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)CC1 ZINC000458599659 320337894 /nfs/dbraw/zinc/33/78/94/320337894.db2.gz QQTUFNAIOLDEIY-CVEARBPZSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1=O ZINC000459331772 320347086 /nfs/dbraw/zinc/34/70/86/320347086.db2.gz WTFXFMXSJUANCF-JKSUJKDBSA-N 2 2 336.480 1.371 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1=O ZINC000459331772 320347087 /nfs/dbraw/zinc/34/70/87/320347087.db2.gz WTFXFMXSJUANCF-JKSUJKDBSA-N 2 2 336.480 1.371 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000492740293 320384245 /nfs/dbraw/zinc/38/42/45/320384245.db2.gz JRLPPZWJAMURAP-KXLSMFKISA-N 2 2 334.489 1.954 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000492830822 320387908 /nfs/dbraw/zinc/38/79/08/320387908.db2.gz KWALYJNOUNUMMP-IYKSTZQJSA-N 2 2 334.464 1.467 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000276559310 443746605 /nfs/dbraw/zinc/74/66/05/443746605.db2.gz JUNYLAMSQLNLPS-UHFFFAOYSA-N 2 2 342.443 1.501 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000520771932 320479916 /nfs/dbraw/zinc/47/99/16/320479916.db2.gz KKMYKELUJPKGHQ-HNNXBMFYSA-N 2 2 334.468 1.145 20 0 EDADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CCS(=O)(=O)CC1 ZINC000525981136 320496081 /nfs/dbraw/zinc/49/60/81/320496081.db2.gz VTIMIPDZENABFW-AWEZNQCLSA-N 2 2 337.489 1.853 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000298327380 443748248 /nfs/dbraw/zinc/74/82/48/443748248.db2.gz WEFJMJSBEWFFHW-IRXDYDNUSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000298327380 443748252 /nfs/dbraw/zinc/74/82/52/443748252.db2.gz WEFJMJSBEWFFHW-IRXDYDNUSA-N 2 2 331.460 1.440 20 0 EDADLP c1c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)nc2ncccn12 ZINC000298427510 443767062 /nfs/dbraw/zinc/76/70/62/443767062.db2.gz MUIXTNRHQPHFKN-UHFFFAOYSA-N 2 2 337.427 1.851 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c(C)[nH+]1 ZINC000276798849 443831733 /nfs/dbraw/zinc/83/17/33/443831733.db2.gz QLTOICJBWWUPQQ-UHFFFAOYSA-N 2 2 332.448 1.875 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCn2c[nH+]cc2C1 ZINC000292765834 443838034 /nfs/dbraw/zinc/83/80/34/443838034.db2.gz BGTBHJUNGSZIEZ-UHFFFAOYSA-N 2 2 340.431 1.720 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000298696028 443841830 /nfs/dbraw/zinc/84/18/30/443841830.db2.gz NHOWZYRBCNAJIO-HUUCEWRRSA-N 2 2 347.463 1.264 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000298696028 443841833 /nfs/dbraw/zinc/84/18/33/443841833.db2.gz NHOWZYRBCNAJIO-HUUCEWRRSA-N 2 2 347.463 1.264 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CC23CCOCC3)([NH+]2CCCCC2)CC1 ZINC000530896278 320642395 /nfs/dbraw/zinc/64/23/95/320642395.db2.gz JXOPOXHPQZFAKT-QGZVFWFLSA-N 2 2 349.519 1.870 20 0 EDADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCN1C(=O)CNC1=O ZINC000284987774 443810240 /nfs/dbraw/zinc/81/02/40/443810240.db2.gz KYDZIWYTSBEQMO-KRWDZBQOSA-N 2 2 346.475 1.675 20 0 EDADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCN1C(=O)CNC1=O ZINC000284987774 443810243 /nfs/dbraw/zinc/81/02/43/443810243.db2.gz KYDZIWYTSBEQMO-KRWDZBQOSA-N 2 2 346.475 1.675 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000531394232 320658533 /nfs/dbraw/zinc/65/85/33/320658533.db2.gz NFUOHGRFELMXTL-MRXNPFEDSA-N 2 2 335.452 1.027 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000285200809 443893019 /nfs/dbraw/zinc/89/30/19/443893019.db2.gz DRMGTZUVFHKVSL-LPHOPBHVSA-N 2 2 342.443 1.873 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000285200809 443893023 /nfs/dbraw/zinc/89/30/23/443893023.db2.gz DRMGTZUVFHKVSL-LPHOPBHVSA-N 2 2 342.443 1.873 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(C(N)=S)cc2)CC1 ZINC000281623828 443961897 /nfs/dbraw/zinc/96/18/97/443961897.db2.gz QAJLSJLFBNEVJO-UHFFFAOYSA-N 2 2 334.489 1.077 20 0 EDADLP COc1ccc(OCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000299135461 443964808 /nfs/dbraw/zinc/96/48/08/443964808.db2.gz WTBAWJANNDKOJV-UHFFFAOYSA-N 2 2 349.475 1.558 20 0 EDADLP COc1ccc(OCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000299135461 443964812 /nfs/dbraw/zinc/96/48/12/443964812.db2.gz WTBAWJANNDKOJV-UHFFFAOYSA-N 2 2 349.475 1.558 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000299189452 443978101 /nfs/dbraw/zinc/97/81/01/443978101.db2.gz CSHXDTXFEVOTIG-UHFFFAOYSA-N 2 2 343.431 1.654 20 0 EDADLP c1c[nH+]c(C2CC[NH+](Cc3nnnn3CC3CCOCC3)CC2)[nH]1 ZINC000277628782 444015369 /nfs/dbraw/zinc/01/53/69/444015369.db2.gz GUNRFODQDIGSPW-UHFFFAOYSA-N 2 2 331.424 1.202 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000299349693 444025038 /nfs/dbraw/zinc/02/50/38/444025038.db2.gz QJVMYJQKCZXJKX-AWEZNQCLSA-N 2 2 335.452 1.058 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285570444 444032556 /nfs/dbraw/zinc/03/25/56/444032556.db2.gz HWAYYRJNIOAEIZ-UHFFFAOYSA-N 2 2 331.482 1.363 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285570444 444032561 /nfs/dbraw/zinc/03/25/61/444032561.db2.gz HWAYYRJNIOAEIZ-UHFFFAOYSA-N 2 2 331.482 1.363 20 0 EDADLP CCS(=O)(=O)NCCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285570444 444032565 /nfs/dbraw/zinc/03/25/65/444032565.db2.gz HWAYYRJNIOAEIZ-UHFFFAOYSA-N 2 2 331.482 1.363 20 0 EDADLP CCS(=O)(=O)NCCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285570444 444032569 /nfs/dbraw/zinc/03/25/69/444032569.db2.gz HWAYYRJNIOAEIZ-UHFFFAOYSA-N 2 2 331.482 1.363 20 0 EDADLP CSCc1cnc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000293643324 444078361 /nfs/dbraw/zinc/07/83/61/444078361.db2.gz RWQXNXHNQUCUDJ-LBPRGKRZSA-N 2 2 328.507 1.436 20 0 EDADLP CSCc1cnc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000293643324 444078363 /nfs/dbraw/zinc/07/83/63/444078363.db2.gz RWQXNXHNQUCUDJ-LBPRGKRZSA-N 2 2 328.507 1.436 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C)n1 ZINC000285660107 444063757 /nfs/dbraw/zinc/06/37/57/444063757.db2.gz MEBDGVKYRFHLGS-HZTRTUMWSA-N 2 2 345.491 1.828 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(C)n1 ZINC000285660107 444063761 /nfs/dbraw/zinc/06/37/61/444063761.db2.gz MEBDGVKYRFHLGS-HZTRTUMWSA-N 2 2 345.491 1.828 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000557140656 321000519 /nfs/dbraw/zinc/00/05/19/321000519.db2.gz KSOJIKJKBVDXGS-LBPRGKRZSA-N 2 2 341.253 1.233 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000557140656 321000520 /nfs/dbraw/zinc/00/05/20/321000520.db2.gz KSOJIKJKBVDXGS-LBPRGKRZSA-N 2 2 341.253 1.233 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000560333240 321020727 /nfs/dbraw/zinc/02/07/27/321020727.db2.gz MAXRTSYOKFMCMW-WMLDXEAASA-N 2 2 330.436 1.039 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cs1 ZINC000561219180 321036921 /nfs/dbraw/zinc/03/69/21/321036921.db2.gz FPTPDMDSFRDWNI-CQSZACIVSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cs1 ZINC000561219180 321036922 /nfs/dbraw/zinc/03/69/22/321036922.db2.gz FPTPDMDSFRDWNI-CQSZACIVSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)cs1 ZINC000561219180 321036923 /nfs/dbraw/zinc/03/69/23/321036923.db2.gz FPTPDMDSFRDWNI-CQSZACIVSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)cs1 ZINC000561219180 321036924 /nfs/dbraw/zinc/03/69/24/321036924.db2.gz FPTPDMDSFRDWNI-CQSZACIVSA-N 2 2 336.505 1.828 20 0 EDADLP C[NH+]1CCC(C)(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000562186996 321047741 /nfs/dbraw/zinc/04/77/41/321047741.db2.gz QFYUZULKUMAKNO-UHFFFAOYSA-N 2 2 346.475 1.376 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457031 321058625 /nfs/dbraw/zinc/05/86/25/321058625.db2.gz RJFURAJSISHAHK-GWCFXTLKSA-N 2 2 349.859 1.297 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457031 321058627 /nfs/dbraw/zinc/05/86/27/321058627.db2.gz RJFURAJSISHAHK-GWCFXTLKSA-N 2 2 349.859 1.297 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000299591776 444088211 /nfs/dbraw/zinc/08/82/11/444088211.db2.gz DKUHTHWFTBOOJN-UHFFFAOYSA-N 2 2 328.420 1.114 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000562815561 321078223 /nfs/dbraw/zinc/07/82/23/321078223.db2.gz CEHHQDVVRWYGAW-KFWWJZLASA-N 2 2 334.468 1.186 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000563415198 321109556 /nfs/dbraw/zinc/10/95/56/321109556.db2.gz KNCISSGOBQXDLL-JTQLQIEISA-N 2 2 346.353 1.821 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C(F)(F)F)c1 ZINC000563415198 321109557 /nfs/dbraw/zinc/10/95/57/321109557.db2.gz KNCISSGOBQXDLL-JTQLQIEISA-N 2 2 346.353 1.821 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000564430450 321130996 /nfs/dbraw/zinc/13/09/96/321130996.db2.gz GJHSWGCBUCMOAG-CVEARBPZSA-N 2 2 327.432 1.951 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nccn1-c1ccccc1 ZINC000564446554 321132007 /nfs/dbraw/zinc/13/20/07/321132007.db2.gz POBMPNXVXPSBBB-WMZOPIPTSA-N 2 2 343.475 1.131 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000565232633 321177280 /nfs/dbraw/zinc/17/72/80/321177280.db2.gz AYBPGEFZFKIBFV-YPMHNXCESA-N 2 2 331.313 1.588 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000565232633 321177282 /nfs/dbraw/zinc/17/72/82/321177282.db2.gz AYBPGEFZFKIBFV-YPMHNXCESA-N 2 2 331.313 1.588 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3c(Cl)cccc3Cl)CCN2C1=O ZINC000565239652 321178359 /nfs/dbraw/zinc/17/83/59/321178359.db2.gz MGJLMGVWUBLYOF-GXFFZTMASA-N 2 2 344.242 1.616 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3c(Cl)cccc3Cl)CCN2C1=O ZINC000565239652 321178361 /nfs/dbraw/zinc/17/83/61/321178361.db2.gz MGJLMGVWUBLYOF-GXFFZTMASA-N 2 2 344.242 1.616 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000565239722 321178492 /nfs/dbraw/zinc/17/84/92/321178492.db2.gz ZRKASGRJXAJNGX-UHFFFAOYSA-N 2 2 341.459 1.687 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000565477836 321188123 /nfs/dbraw/zinc/18/81/23/321188123.db2.gz MKTXCJVAERCZKG-AEFFLSMTSA-N 2 2 333.476 1.858 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOC2CCCCCC2)C[C@H](C)O1 ZINC000565655639 321195406 /nfs/dbraw/zinc/19/54/06/321195406.db2.gz VZHAQBFKSVCCQL-BBWFWOEESA-N 2 2 328.497 1.786 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOC2CCCCCC2)C[C@H](C)O1 ZINC000565655639 321195408 /nfs/dbraw/zinc/19/54/08/321195408.db2.gz VZHAQBFKSVCCQL-BBWFWOEESA-N 2 2 328.497 1.786 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000565880391 321204607 /nfs/dbraw/zinc/20/46/07/321204607.db2.gz YCHFNVOQIYUPBQ-JTQLQIEISA-N 2 2 345.216 1.695 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000565880391 321204608 /nfs/dbraw/zinc/20/46/08/321204608.db2.gz YCHFNVOQIYUPBQ-JTQLQIEISA-N 2 2 345.216 1.695 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566010424 321210728 /nfs/dbraw/zinc/21/07/28/321210728.db2.gz UEOJTNCZDTYWAS-FXAWDEMLSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566010424 321210729 /nfs/dbraw/zinc/21/07/29/321210729.db2.gz UEOJTNCZDTYWAS-FXAWDEMLSA-N 2 2 345.487 1.954 20 0 EDADLP O=C(C[NH2+][C@H]1CCCOc2cc(F)cc(F)c21)N1CC[NH2+]CC1 ZINC000566087851 321214138 /nfs/dbraw/zinc/21/41/38/321214138.db2.gz ZKQIKXQUCBNAFX-ZDUSSCGKSA-N 2 2 325.359 1.200 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCNC(=O)C(C)C)c2cc1C ZINC000566113574 321216694 /nfs/dbraw/zinc/21/66/94/321216694.db2.gz QIZFOFBPNYDWNO-INIZCTEOSA-N 2 2 346.475 1.766 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000566962784 321237308 /nfs/dbraw/zinc/23/73/08/321237308.db2.gz FJARHPDQESOEBW-MRXNPFEDSA-N 2 2 332.448 1.145 20 0 EDADLP COc1cc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH2+]C2)c(OC)cc1Cl ZINC000567893376 321266460 /nfs/dbraw/zinc/26/64/60/321266460.db2.gz KTLHTADAQMKPQL-LLVKDONJSA-N 2 2 341.839 1.980 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH2+]C2)c(OC)cc1Cl ZINC000567893376 321266461 /nfs/dbraw/zinc/26/64/61/321266461.db2.gz KTLHTADAQMKPQL-LLVKDONJSA-N 2 2 341.839 1.980 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000568777712 321306493 /nfs/dbraw/zinc/30/64/93/321306493.db2.gz FXBUIJGIZKYMGA-HKUYNNGSSA-N 2 2 345.487 1.388 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000568777712 321306494 /nfs/dbraw/zinc/30/64/94/321306494.db2.gz FXBUIJGIZKYMGA-HKUYNNGSSA-N 2 2 345.487 1.388 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)CC1 ZINC000569180083 321320171 /nfs/dbraw/zinc/32/01/71/321320171.db2.gz XDEKWZLVXXOYDU-UHFFFAOYSA-N 2 2 341.459 1.337 20 0 EDADLP C[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000569248175 321322690 /nfs/dbraw/zinc/32/26/90/321322690.db2.gz IIRXBJHYBILPHA-GFCCVEGCSA-N 2 2 345.896 1.761 20 0 EDADLP C[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000569248175 321322691 /nfs/dbraw/zinc/32/26/91/321322691.db2.gz IIRXBJHYBILPHA-GFCCVEGCSA-N 2 2 345.896 1.761 20 0 EDADLP C[NH+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000569248175 321322692 /nfs/dbraw/zinc/32/26/92/321322692.db2.gz IIRXBJHYBILPHA-GFCCVEGCSA-N 2 2 345.896 1.761 20 0 EDADLP C[NH+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000569248175 321322693 /nfs/dbraw/zinc/32/26/93/321322693.db2.gz IIRXBJHYBILPHA-GFCCVEGCSA-N 2 2 345.896 1.761 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000569689234 321329512 /nfs/dbraw/zinc/32/95/12/321329512.db2.gz CVNJDJMIUSFNCY-MOPGFXCFSA-N 2 2 343.471 1.442 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000569689234 321329514 /nfs/dbraw/zinc/32/95/14/321329514.db2.gz CVNJDJMIUSFNCY-MOPGFXCFSA-N 2 2 343.471 1.442 20 0 EDADLP COc1ccccc1COC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000570083688 321337065 /nfs/dbraw/zinc/33/70/65/321337065.db2.gz NBIBRGOVAWWRKY-CABCVRRESA-N 2 2 331.416 1.443 20 0 EDADLP COc1ccccc1COC[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000570083688 321337066 /nfs/dbraw/zinc/33/70/66/321337066.db2.gz NBIBRGOVAWWRKY-CABCVRRESA-N 2 2 331.416 1.443 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000570704816 321354458 /nfs/dbraw/zinc/35/44/58/321354458.db2.gz WYNJBXGAXZOMHQ-GDBMZVCRSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000570704816 321354459 /nfs/dbraw/zinc/35/44/59/321354459.db2.gz WYNJBXGAXZOMHQ-GDBMZVCRSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000570704816 321354461 /nfs/dbraw/zinc/35/44/61/321354461.db2.gz WYNJBXGAXZOMHQ-GDBMZVCRSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000570704816 321354463 /nfs/dbraw/zinc/35/44/63/321354463.db2.gz WYNJBXGAXZOMHQ-GDBMZVCRSA-N 2 2 349.479 1.036 20 0 EDADLP C[C@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[NH+]1CC(C)C1 ZINC000571102135 321371580 /nfs/dbraw/zinc/37/15/80/321371580.db2.gz GVZVNMPBUIMQJT-QGZVFWFLSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)[NH+]1CC(C)C1 ZINC000571102135 321371581 /nfs/dbraw/zinc/37/15/81/321371581.db2.gz GVZVNMPBUIMQJT-QGZVFWFLSA-N 2 2 344.503 1.390 20 0 EDADLP CCc1ccc(C(=O)N2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1 ZINC000289349922 444114558 /nfs/dbraw/zinc/11/45/58/444114558.db2.gz MWJFMZNWNWXKAB-UHFFFAOYSA-N 2 2 326.444 1.983 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000289349231 444115020 /nfs/dbraw/zinc/11/50/20/444115020.db2.gz KPJGDAJWCXVXIY-RDTXWAMCSA-N 2 2 331.460 1.919 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000289349231 444115023 /nfs/dbraw/zinc/11/50/23/444115023.db2.gz KPJGDAJWCXVXIY-RDTXWAMCSA-N 2 2 331.460 1.919 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)[NH+]1CCOCC1 ZINC000572261398 321423229 /nfs/dbraw/zinc/42/32/29/321423229.db2.gz BGXJGSAINXELTH-DAYGRLMNSA-N 2 2 346.475 1.282 20 0 EDADLP CN(CCC[N@H+](C)Cc1ncnn1-c1ccccc1)CC[NH+](C)C ZINC000289507318 444161709 /nfs/dbraw/zinc/16/17/09/444161709.db2.gz UTTBBSDPAIZZSR-UHFFFAOYSA-N 2 2 330.480 1.583 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ncnn1-c1ccccc1)CC[NH+](C)C ZINC000289507318 444161712 /nfs/dbraw/zinc/16/17/12/444161712.db2.gz UTTBBSDPAIZZSR-UHFFFAOYSA-N 2 2 330.480 1.583 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000301320456 444163796 /nfs/dbraw/zinc/16/37/96/444163796.db2.gz RYMQVCUUJDGLDW-LLVKDONJSA-N 2 2 341.375 1.106 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301444120 444172035 /nfs/dbraw/zinc/17/20/35/444172035.db2.gz JLMOKEOFVDJVIE-HOTGVXAUSA-N 2 2 333.480 1.748 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301444120 444172038 /nfs/dbraw/zinc/17/20/38/444172038.db2.gz JLMOKEOFVDJVIE-HOTGVXAUSA-N 2 2 333.480 1.748 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000301444120 444172040 /nfs/dbraw/zinc/17/20/40/444172040.db2.gz JLMOKEOFVDJVIE-HOTGVXAUSA-N 2 2 333.480 1.748 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000301444120 444172042 /nfs/dbraw/zinc/17/20/42/444172042.db2.gz JLMOKEOFVDJVIE-HOTGVXAUSA-N 2 2 333.480 1.748 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000575759687 321526359 /nfs/dbraw/zinc/52/63/59/321526359.db2.gz VGQZVZWDBCLXHL-UHFFFAOYSA-N 2 2 336.476 1.907 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000289745184 444198122 /nfs/dbraw/zinc/19/81/22/444198122.db2.gz MFXDQGOXHOGELL-SFHVURJKSA-N 2 2 349.500 1.928 20 0 EDADLP Cc1nc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2c([nH+]1)CCCC2 ZINC000302033606 444201608 /nfs/dbraw/zinc/20/16/08/444201608.db2.gz DEWCANCKLXUZKZ-CQSZACIVSA-N 2 2 331.464 1.663 20 0 EDADLP Cc1nc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2c([nH+]1)CCCC2 ZINC000302033606 444201611 /nfs/dbraw/zinc/20/16/11/444201611.db2.gz DEWCANCKLXUZKZ-CQSZACIVSA-N 2 2 331.464 1.663 20 0 EDADLP NC(=O)c1c[nH+]ccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000302053584 444202071 /nfs/dbraw/zinc/20/20/71/444202071.db2.gz YKHHKGWVFAJADR-UHFFFAOYSA-N 2 2 326.400 1.625 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1)C1CC1 ZINC000290134884 444246959 /nfs/dbraw/zinc/24/69/59/444246959.db2.gz ZZUCLNCVZBCEHV-SFHVURJKSA-N 2 2 331.460 1.336 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1)C1CC1 ZINC000290134884 444246961 /nfs/dbraw/zinc/24/69/61/444246961.db2.gz ZZUCLNCVZBCEHV-SFHVURJKSA-N 2 2 331.460 1.336 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NC2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC000302796180 444224642 /nfs/dbraw/zinc/22/46/42/444224642.db2.gz POJXTLOROZUTEK-MRXNPFEDSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NC2CC[NH+](C3CC3)CC2)[nH+]cn1 ZINC000302796180 444224644 /nfs/dbraw/zinc/22/46/44/444224644.db2.gz POJXTLOROZUTEK-MRXNPFEDSA-N 2 2 331.464 1.867 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997076 444228691 /nfs/dbraw/zinc/22/86/91/444228691.db2.gz YTFMBHZREURNKO-RHSMWYFYSA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997076 444228693 /nfs/dbraw/zinc/22/86/93/444228693.db2.gz YTFMBHZREURNKO-RHSMWYFYSA-N 2 2 337.489 1.785 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1cc(N3CCSCC3)nc[nH+]1)C2 ZINC000302912072 444231252 /nfs/dbraw/zinc/23/12/52/444231252.db2.gz TWFVRKQUZYIVHV-ZDUSSCGKSA-N 2 2 330.461 1.962 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1cc(N3CCSCC3)[nH+]cn1)C2 ZINC000302912072 444231253 /nfs/dbraw/zinc/23/12/53/444231253.db2.gz TWFVRKQUZYIVHV-ZDUSSCGKSA-N 2 2 330.461 1.962 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087753 444241011 /nfs/dbraw/zinc/24/10/11/444241011.db2.gz VPGKLOLYNZZNSF-GOEBONIOSA-N 2 2 329.448 1.364 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087753 444241012 /nfs/dbraw/zinc/24/10/12/444241012.db2.gz VPGKLOLYNZZNSF-GOEBONIOSA-N 2 2 329.448 1.364 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087753 444241014 /nfs/dbraw/zinc/24/10/14/444241014.db2.gz VPGKLOLYNZZNSF-GOEBONIOSA-N 2 2 329.448 1.364 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087753 444241016 /nfs/dbraw/zinc/24/10/16/444241016.db2.gz VPGKLOLYNZZNSF-GOEBONIOSA-N 2 2 329.448 1.364 20 0 EDADLP Cc1cc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)cc(N2CCCC2)[nH+]1 ZINC000290433967 444280018 /nfs/dbraw/zinc/28/00/18/444280018.db2.gz CAKYUAVMUQXMMQ-OAHLLOKOSA-N 2 2 346.475 1.575 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCCC[C@H]1O ZINC000305836444 444282990 /nfs/dbraw/zinc/28/29/90/444282990.db2.gz XEDSSIRQSFNALL-SJLPKXTDSA-N 2 2 349.475 1.407 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCCC[C@H]1O ZINC000305836444 444282992 /nfs/dbraw/zinc/28/29/92/444282992.db2.gz XEDSSIRQSFNALL-SJLPKXTDSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(S(C)(=O)=O)cc1 ZINC000321728908 444337229 /nfs/dbraw/zinc/33/72/29/444337229.db2.gz ZKUPAROILMFCAA-BPUTZDHNSA-N 2 2 338.473 1.604 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(S(C)(=O)=O)cc1 ZINC000321728908 444337231 /nfs/dbraw/zinc/33/72/31/444337231.db2.gz ZKUPAROILMFCAA-BPUTZDHNSA-N 2 2 338.473 1.604 20 0 EDADLP COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000578187765 321734470 /nfs/dbraw/zinc/73/44/70/321734470.db2.gz VGBSWYUKSJDXSS-HZPDHXFCSA-N 2 2 331.416 1.374 20 0 EDADLP [NH3+]C1CCC(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000324455154 444355585 /nfs/dbraw/zinc/35/55/85/444355585.db2.gz FJRRVFPEICUNNG-UHFFFAOYSA-N 2 2 331.460 1.653 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C[N@@H+]1C1CC1 ZINC000290836152 444328621 /nfs/dbraw/zinc/32/86/21/444328621.db2.gz YBJXMNMOADOGCT-RVZJWNSFSA-N 2 2 349.500 1.926 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C[N@H+]1C1CC1 ZINC000290836152 444328623 /nfs/dbraw/zinc/32/86/23/444328623.db2.gz YBJXMNMOADOGCT-RVZJWNSFSA-N 2 2 349.500 1.926 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000297989586 444379659 /nfs/dbraw/zinc/37/96/59/444379659.db2.gz XGBNKISENOHATR-HNNXBMFYSA-N 2 2 349.479 1.306 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000329025037 444449567 /nfs/dbraw/zinc/44/95/67/444449567.db2.gz NNCWAZWNLYUAEK-SJORKVTESA-N 2 2 326.400 1.417 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000329025037 444449570 /nfs/dbraw/zinc/44/95/70/444449570.db2.gz NNCWAZWNLYUAEK-SJORKVTESA-N 2 2 326.400 1.417 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000579451937 321935971 /nfs/dbraw/zinc/93/59/71/321935971.db2.gz WRSZLPKIQLWNTD-MSOLQXFVSA-N 2 2 339.443 1.825 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000328697208 444433708 /nfs/dbraw/zinc/43/37/08/444433708.db2.gz LFGIVZHWFLOMJM-JKSUJKDBSA-N 2 2 331.464 1.990 20 0 EDADLP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340702829 444483523 /nfs/dbraw/zinc/48/35/23/444483523.db2.gz WZCVUKCQEATLIP-KRWDZBQOSA-N 2 2 340.489 1.790 20 0 EDADLP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340702829 444483525 /nfs/dbraw/zinc/48/35/25/444483525.db2.gz WZCVUKCQEATLIP-KRWDZBQOSA-N 2 2 340.489 1.790 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1)c1ccc(F)cc1 ZINC000340713894 444486148 /nfs/dbraw/zinc/48/61/48/444486148.db2.gz OSNYSFBHWRKOBZ-AWEZNQCLSA-N 2 2 345.422 1.559 20 0 EDADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000338015069 444486805 /nfs/dbraw/zinc/48/68/05/444486805.db2.gz VXXRUQPFLOYONF-SFHVURJKSA-N 2 2 347.507 1.184 20 0 EDADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000338015069 444486809 /nfs/dbraw/zinc/48/68/09/444486809.db2.gz VXXRUQPFLOYONF-SFHVURJKSA-N 2 2 347.507 1.184 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(C)[nH+]1 ZINC000331948338 444492117 /nfs/dbraw/zinc/49/21/17/444492117.db2.gz SHPFLETXIRHKDL-MRXNPFEDSA-N 2 2 330.432 1.628 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C(F)(F)F ZINC000580568259 322069277 /nfs/dbraw/zinc/06/92/77/322069277.db2.gz AXDAOADXPUBLJQ-NWDGAFQWSA-N 2 2 332.370 1.914 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329206223 444501609 /nfs/dbraw/zinc/50/16/09/444501609.db2.gz XIMGBPILYFSSLQ-ZWKOTPCHSA-N 2 2 342.443 1.666 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000329206223 444501613 /nfs/dbraw/zinc/50/16/13/444501613.db2.gz XIMGBPILYFSSLQ-ZWKOTPCHSA-N 2 2 342.443 1.666 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1ncnn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000580774774 322093823 /nfs/dbraw/zinc/09/38/23/322093823.db2.gz PMZRQIVADFWATR-OAHLLOKOSA-N 2 2 343.479 1.659 20 0 EDADLP CCn1nccc1N1CCC[C@H]([NH2+]Cc2c[nH+]cn2C(C)C)C1=O ZINC000581067865 322131433 /nfs/dbraw/zinc/13/14/33/322131433.db2.gz XZNKZVBNJGESAG-HNNXBMFYSA-N 2 2 330.436 1.966 20 0 EDADLP C[C@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCOCC1 ZINC000581245927 322153703 /nfs/dbraw/zinc/15/37/03/322153703.db2.gz AKLVFUJODLZCQR-CYBMUJFWSA-N 2 2 341.402 1.851 20 0 EDADLP COc1cncc(/C=C\CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000581366938 322169229 /nfs/dbraw/zinc/16/92/29/322169229.db2.gz BWLAKNQYZIBRMZ-XQRVVYSFSA-N 2 2 332.448 1.199 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000581476196 322181643 /nfs/dbraw/zinc/18/16/43/322181643.db2.gz IRFZQKYPQMQPST-LBPRGKRZSA-N 2 2 346.353 1.734 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000581543568 322189855 /nfs/dbraw/zinc/18/98/55/322189855.db2.gz MLCNYPAVHLGQPI-BHIYHBOVSA-N 2 2 332.444 1.845 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000581543568 322189856 /nfs/dbraw/zinc/18/98/56/322189856.db2.gz MLCNYPAVHLGQPI-BHIYHBOVSA-N 2 2 332.444 1.845 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000338078790 444510097 /nfs/dbraw/zinc/51/00/97/444510097.db2.gz DFJOAFMHBXSDGE-UHFFFAOYSA-N 2 2 342.447 1.817 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](C)CCO2)cc1)C1CC1 ZINC000338110596 444519657 /nfs/dbraw/zinc/51/96/57/444519657.db2.gz BRSVHZZWZIXOQN-SFHVURJKSA-N 2 2 331.460 1.731 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](C)CCO2)cc1)C1CC1 ZINC000338110596 444519660 /nfs/dbraw/zinc/51/96/60/444519660.db2.gz BRSVHZZWZIXOQN-SFHVURJKSA-N 2 2 331.460 1.731 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1)C1CC1 ZINC000338110596 444519664 /nfs/dbraw/zinc/51/96/64/444519664.db2.gz BRSVHZZWZIXOQN-SFHVURJKSA-N 2 2 331.460 1.731 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1)C1CC1 ZINC000338110596 444519667 /nfs/dbraw/zinc/51/96/67/444519667.db2.gz BRSVHZZWZIXOQN-SFHVURJKSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000343705401 444532816 /nfs/dbraw/zinc/53/28/16/444532816.db2.gz CKVJFNUPVOPWGD-UXIGCNINSA-N 2 2 332.366 1.985 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000343705401 444532821 /nfs/dbraw/zinc/53/28/21/444532821.db2.gz CKVJFNUPVOPWGD-UXIGCNINSA-N 2 2 332.366 1.985 20 0 EDADLP CC[C@]1(C)COCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000340881753 444556891 /nfs/dbraw/zinc/55/68/91/444556891.db2.gz NVHIRNGCSVAXQZ-HXUWFJFHSA-N 2 2 345.487 1.832 20 0 EDADLP CC[C@]1(C)COCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000340881753 444556897 /nfs/dbraw/zinc/55/68/97/444556897.db2.gz NVHIRNGCSVAXQZ-HXUWFJFHSA-N 2 2 345.487 1.832 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343851206 444627519 /nfs/dbraw/zinc/62/75/19/444627519.db2.gz MNRGXEPJOBISPA-VYDXJSESSA-N 2 2 328.460 1.754 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000343851206 444627526 /nfs/dbraw/zinc/62/75/26/444627526.db2.gz MNRGXEPJOBISPA-VYDXJSESSA-N 2 2 328.460 1.754 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000333007440 444628020 /nfs/dbraw/zinc/62/80/20/444628020.db2.gz 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CC(C)[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cccnc1 ZINC000342389976 444670642 /nfs/dbraw/zinc/67/06/42/444670642.db2.gz ZUSGWRUICGOFDW-UHFFFAOYSA-N 2 2 348.491 1.519 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[C@@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000333469154 444673766 /nfs/dbraw/zinc/67/37/66/444673766.db2.gz DBXPRSPRVNKQFE-YJBOKZPZSA-N 2 2 331.464 1.265 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[C@@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000333469154 444673773 /nfs/dbraw/zinc/67/37/73/444673773.db2.gz DBXPRSPRVNKQFE-YJBOKZPZSA-N 2 2 331.464 1.265 20 0 EDADLP c1c(CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)[nH+]c2n1CCCC2 ZINC000333189672 444646186 /nfs/dbraw/zinc/64/61/86/444646186.db2.gz VJZDWEDGDSIWDE-ZDUSSCGKSA-N 2 2 328.420 2.212 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333890877 444709786 /nfs/dbraw/zinc/70/97/86/444709786.db2.gz GWUONFUMOCLAOB-LSDHHAIUSA-N 2 2 327.432 1.865 20 0 EDADLP Cc1cc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(C)[nH+]1 ZINC000333897413 444712322 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WXKMVJIXUJBFEK-XHSDSOJGSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@H+]4CCCC[C@H]4C3)nc[nH+]2)C1 ZINC000334058130 444765657 /nfs/dbraw/zinc/76/56/57/444765657.db2.gz WXKMVJIXUJBFEK-XHSDSOJGSA-N 2 2 331.464 1.358 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000341353262 444791832 /nfs/dbraw/zinc/79/18/32/444791832.db2.gz ZWBJQNKKQSWNJR-ZDUSSCGKSA-N 2 2 328.453 1.578 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000342707566 444826601 /nfs/dbraw/zinc/82/66/01/444826601.db2.gz MXJPMDVQZSCRGV-JQHSSLGASA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000342707566 444826604 /nfs/dbraw/zinc/82/66/04/444826604.db2.gz MXJPMDVQZSCRGV-JQHSSLGASA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342713582 444830032 /nfs/dbraw/zinc/83/00/32/444830032.db2.gz SXFQSAYBYOCWMV-INIZCTEOSA-N 2 2 345.487 1.679 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000342763879 444853646 /nfs/dbraw/zinc/85/36/46/444853646.db2.gz DYALXUHQMMFFSS-NEWSRXKRSA-N 2 2 345.487 1.873 20 0 EDADLP Cc1c[nH+]c(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1C ZINC000342797906 444871549 /nfs/dbraw/zinc/87/15/49/444871549.db2.gz RDHVUXWNLOSACW-UHFFFAOYSA-N 2 2 349.523 1.645 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000330225013 444894945 /nfs/dbraw/zinc/89/49/45/444894945.db2.gz AXHFFHYHGIAVLZ-BZUAXINKSA-N 2 2 331.464 1.988 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000330225013 444894949 /nfs/dbraw/zinc/89/49/49/444894949.db2.gz AXHFFHYHGIAVLZ-BZUAXINKSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330296867 444927131 /nfs/dbraw/zinc/92/71/31/444927131.db2.gz GPHNLLWPLBHJPI-GJZGRUSLSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330296867 444927133 /nfs/dbraw/zinc/92/71/33/444927133.db2.gz GPHNLLWPLBHJPI-GJZGRUSLSA-N 2 2 332.448 1.157 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000338946780 444949655 /nfs/dbraw/zinc/94/96/55/444949655.db2.gz CFYFFPOCSWTJDT-UHFFFAOYSA-N 2 2 343.475 1.773 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000338946780 444949660 /nfs/dbraw/zinc/94/96/60/444949660.db2.gz CFYFFPOCSWTJDT-UHFFFAOYSA-N 2 2 343.475 1.773 20 0 EDADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)CCO1 ZINC000338924161 444934878 /nfs/dbraw/zinc/93/48/78/444934878.db2.gz DZOGPJZJWPZIFB-HNAYVOBHSA-N 2 2 336.451 1.914 20 0 EDADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)CCO1 ZINC000338924161 444934882 /nfs/dbraw/zinc/93/48/82/444934882.db2.gz DZOGPJZJWPZIFB-HNAYVOBHSA-N 2 2 336.451 1.914 20 0 EDADLP Cc1cccn2c(C[NH2+][C@H]3CCC[C@@H]3CNS(C)(=O)=O)c[nH+]c12 ZINC000337297122 445021288 /nfs/dbraw/zinc/02/12/88/445021288.db2.gz OPWPVTIIANVYFP-HIFRSBDPSA-N 2 2 336.461 1.450 20 0 EDADLP CC(C)CN1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)C1=O ZINC000337411300 445068290 /nfs/dbraw/zinc/06/82/90/445068290.db2.gz LSAKSHFAKCJCLX-GOSISDBHSA-N 2 2 338.540 1.591 20 0 EDADLP CC(C)CN1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)C1=O ZINC000337411300 445068295 /nfs/dbraw/zinc/06/82/95/445068295.db2.gz LSAKSHFAKCJCLX-GOSISDBHSA-N 2 2 338.540 1.591 20 0 EDADLP CC(C)(O)C(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000330761574 445130653 /nfs/dbraw/zinc/13/06/53/445130653.db2.gz NAGDJHLDQBIGEL-UHFFFAOYSA-N 2 2 339.505 1.531 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NCCOc3ccc(F)cc3)C2)C1 ZINC000339433238 445139192 /nfs/dbraw/zinc/13/91/92/445139192.db2.gz DBKWFJCDWGCESF-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NCCOc3ccc(F)cc3)C2)C1 ZINC000339433238 445139195 /nfs/dbraw/zinc/13/91/95/445139195.db2.gz DBKWFJCDWGCESF-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NCCOc3ccc(F)cc3)C2)C1 ZINC000339433238 445139198 /nfs/dbraw/zinc/13/91/98/445139198.db2.gz DBKWFJCDWGCESF-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NCCOc3ccc(F)cc3)C2)C1 ZINC000339433238 445139202 /nfs/dbraw/zinc/13/92/02/445139202.db2.gz DBKWFJCDWGCESF-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337524189 445119223 /nfs/dbraw/zinc/11/92/23/445119223.db2.gz ALACBHRMIDJISG-RBSFLKMASA-N 2 2 337.468 1.459 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1 ZINC000342083001 445162192 /nfs/dbraw/zinc/16/21/92/445162192.db2.gz KDBVELPUMRCQJJ-AFAVFJNCSA-N 2 2 333.432 1.702 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1 ZINC000342083001 445162196 /nfs/dbraw/zinc/16/21/96/445162196.db2.gz KDBVELPUMRCQJJ-AFAVFJNCSA-N 2 2 333.432 1.702 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1cnn(C)c1 ZINC000345306705 445179773 /nfs/dbraw/zinc/17/97/73/445179773.db2.gz QTTFJUUXJXLRKI-WBHUJUFNSA-N 2 2 342.447 1.699 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)no1 ZINC000337587590 445153032 /nfs/dbraw/zinc/15/30/32/445153032.db2.gz LLRCLBWNMMMRSD-INIZCTEOSA-N 2 2 332.379 1.662 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000343389972 445214335 /nfs/dbraw/zinc/21/43/35/445214335.db2.gz NDNNMORZJIUOIT-RDTXWAMCSA-N 2 2 329.448 1.996 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)n1 ZINC000343389972 445214336 /nfs/dbraw/zinc/21/43/36/445214336.db2.gz NDNNMORZJIUOIT-RDTXWAMCSA-N 2 2 329.448 1.996 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102379 445268785 /nfs/dbraw/zinc/26/87/85/445268785.db2.gz NKJPXYNRTUGVCS-IKGGRYGDSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102379 445268788 /nfs/dbraw/zinc/26/87/88/445268788.db2.gz NKJPXYNRTUGVCS-IKGGRYGDSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348102379 445268789 /nfs/dbraw/zinc/26/87/89/445268789.db2.gz NKJPXYNRTUGVCS-IKGGRYGDSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348102379 445268792 /nfs/dbraw/zinc/26/87/92/445268792.db2.gz NKJPXYNRTUGVCS-IKGGRYGDSA-N 3 2 337.487 1.749 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000351633028 445250897 /nfs/dbraw/zinc/25/08/97/445250897.db2.gz TWZJFNLGEUHDEK-MRXNPFEDSA-N 2 2 344.503 1.986 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000351633028 445250898 /nfs/dbraw/zinc/25/08/98/445250898.db2.gz TWZJFNLGEUHDEK-MRXNPFEDSA-N 2 2 344.503 1.986 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000343598862 445257318 /nfs/dbraw/zinc/25/73/18/445257318.db2.gz FRBSCHFJSVFKLQ-OALUTQOASA-N 2 2 345.487 1.513 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000343598862 445257322 /nfs/dbraw/zinc/25/73/22/445257322.db2.gz FRBSCHFJSVFKLQ-OALUTQOASA-N 2 2 345.487 1.513 20 0 EDADLP CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348096390 445265650 /nfs/dbraw/zinc/26/56/50/445265650.db2.gz ABMPYBDYTNXSNG-MELADBBJSA-N 2 2 326.416 1.216 20 0 EDADLP CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348096390 445265653 /nfs/dbraw/zinc/26/56/53/445265653.db2.gz ABMPYBDYTNXSNG-MELADBBJSA-N 2 2 326.416 1.216 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000343637414 445274879 /nfs/dbraw/zinc/27/48/79/445274879.db2.gz JQLYXBUOFRUUDP-UHFFFAOYSA-N 2 2 349.479 1.146 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000343637414 445274883 /nfs/dbraw/zinc/27/48/83/445274883.db2.gz JQLYXBUOFRUUDP-UHFFFAOYSA-N 2 2 349.479 1.146 20 0 EDADLP COc1cc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)ccn1 ZINC000348127179 445282889 /nfs/dbraw/zinc/28/28/89/445282889.db2.gz XITKTHQRVWLNMJ-CVEARBPZSA-N 2 2 347.438 1.868 20 0 EDADLP COc1cc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)ccn1 ZINC000348127179 445282892 /nfs/dbraw/zinc/28/28/92/445282892.db2.gz XITKTHQRVWLNMJ-CVEARBPZSA-N 2 2 347.438 1.868 20 0 EDADLP C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348158392 445294083 /nfs/dbraw/zinc/29/40/83/445294083.db2.gz HLLRITCXBPUMQW-JCURWCKSSA-N 2 2 344.415 1.533 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCC[C@H](CO)C2)CC1 ZINC000354636807 445323241 /nfs/dbraw/zinc/32/32/41/445323241.db2.gz SPBNFYOVCDSNSF-HOTGVXAUSA-N 2 2 340.512 1.110 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000343675297 445296128 /nfs/dbraw/zinc/29/61/28/445296128.db2.gz SQPMTJSFJJXPKQ-UHFFFAOYSA-N 2 2 345.443 1.213 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000354672544 445334390 /nfs/dbraw/zinc/33/43/90/445334390.db2.gz KLQGMBSHWZJTPC-HNNXBMFYSA-N 2 2 341.415 1.284 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Br)cn2)CC1 ZINC000351828079 445335716 /nfs/dbraw/zinc/33/57/16/445335716.db2.gz TZQNKEYHHZGWGF-UHFFFAOYSA-N 2 2 328.254 1.733 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Br)cn2)CC1 ZINC000351828079 445335717 /nfs/dbraw/zinc/33/57/17/445335717.db2.gz TZQNKEYHHZGWGF-UHFFFAOYSA-N 2 2 328.254 1.733 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000348707050 445350383 /nfs/dbraw/zinc/35/03/83/445350383.db2.gz VZTJYGZBEGBARJ-VVLHAWIVSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000348707050 445350384 /nfs/dbraw/zinc/35/03/84/445350384.db2.gz VZTJYGZBEGBARJ-VVLHAWIVSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C)[NH+]1CCO[C@H](CC)C1 ZINC000348707050 445350385 /nfs/dbraw/zinc/35/03/85/445350385.db2.gz VZTJYGZBEGBARJ-VVLHAWIVSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C)[NH+]1CCO[C@H](CC)C1 ZINC000348707050 445350386 /nfs/dbraw/zinc/35/03/86/445350386.db2.gz VZTJYGZBEGBARJ-VVLHAWIVSA-N 2 2 341.496 1.053 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357068206 445405485 /nfs/dbraw/zinc/40/54/85/445405485.db2.gz DLYHFFKTKSJUPF-SQNIBIBYSA-N 2 2 342.487 1.265 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357068206 445405489 /nfs/dbraw/zinc/40/54/89/445405489.db2.gz DLYHFFKTKSJUPF-SQNIBIBYSA-N 2 2 342.487 1.265 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000362486635 445407506 /nfs/dbraw/zinc/40/75/06/445407506.db2.gz KUPCEGGLTVIMKI-PBHICJAKSA-N 2 2 342.447 1.750 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000362486635 445407512 /nfs/dbraw/zinc/40/75/12/445407512.db2.gz KUPCEGGLTVIMKI-PBHICJAKSA-N 2 2 342.447 1.750 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357082388 445415233 /nfs/dbraw/zinc/41/52/33/445415233.db2.gz OCLRRGQTCZOWOR-VGWMRTNUSA-N 2 2 331.460 1.802 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357082388 445415236 /nfs/dbraw/zinc/41/52/36/445415236.db2.gz OCLRRGQTCZOWOR-VGWMRTNUSA-N 2 2 331.460 1.802 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000357082888 445415784 /nfs/dbraw/zinc/41/57/84/445415784.db2.gz PMTHXHUWMMUMLQ-QZTJIDSGSA-N 2 2 342.487 1.185 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000357082888 445415789 /nfs/dbraw/zinc/41/57/89/445415789.db2.gz PMTHXHUWMMUMLQ-QZTJIDSGSA-N 2 2 342.487 1.185 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1[NH+](C)C ZINC000359776045 445422114 /nfs/dbraw/zinc/42/21/14/445422114.db2.gz VNDMXXLEBOWMFN-YJBOKZPZSA-N 2 2 331.460 1.541 20 0 EDADLP c1cc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)n2)cc2c1OCO2 ZINC000357091759 445422918 /nfs/dbraw/zinc/42/29/18/445422918.db2.gz WWHWXEGXNUIJSL-STQMWFEESA-N 2 2 328.372 1.507 20 0 EDADLP c1cc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)n2)cc2c1OCO2 ZINC000357091759 445422923 /nfs/dbraw/zinc/42/29/23/445422923.db2.gz WWHWXEGXNUIJSL-STQMWFEESA-N 2 2 328.372 1.507 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](COC(F)F)C3)cn2)CC1 ZINC000348869858 445423602 /nfs/dbraw/zinc/42/36/02/445423602.db2.gz PTMQZAQZIVTAIF-CYBMUJFWSA-N 2 2 341.406 1.290 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](COC(F)F)C3)cn2)CC1 ZINC000348869858 445423608 /nfs/dbraw/zinc/42/36/08/445423608.db2.gz PTMQZAQZIVTAIF-CYBMUJFWSA-N 2 2 341.406 1.290 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354849756 445423666 /nfs/dbraw/zinc/42/36/66/445423666.db2.gz HDWFVCBOQHKKMF-CVEARBPZSA-N 2 2 334.443 1.900 20 0 EDADLP C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2)C[C@H](C)O1 ZINC000359700433 445382810 /nfs/dbraw/zinc/38/28/10/445382810.db2.gz PHRIUVUPHDDSQT-KBPBESRZSA-N 2 2 328.416 1.949 20 0 EDADLP C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2)C[C@H](C)O1 ZINC000359700433 445382813 /nfs/dbraw/zinc/38/28/13/445382813.db2.gz PHRIUVUPHDDSQT-KBPBESRZSA-N 2 2 328.416 1.949 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348809923 445395078 /nfs/dbraw/zinc/39/50/78/445395078.db2.gz PUIDUSFZMJKLTJ-ROUUACIJSA-N 2 2 349.450 1.752 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348809923 445395081 /nfs/dbraw/zinc/39/50/81/445395081.db2.gz PUIDUSFZMJKLTJ-ROUUACIJSA-N 2 2 349.450 1.752 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357207376 445481446 /nfs/dbraw/zinc/48/14/46/445481446.db2.gz YQXNRKDDDXTEEW-OALUTQOASA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357207376 445481451 /nfs/dbraw/zinc/48/14/51/445481451.db2.gz YQXNRKDDDXTEEW-OALUTQOASA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357207376 445481456 /nfs/dbraw/zinc/48/14/56/445481456.db2.gz YQXNRKDDDXTEEW-OALUTQOASA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357207376 445481462 /nfs/dbraw/zinc/48/14/62/445481462.db2.gz YQXNRKDDDXTEEW-OALUTQOASA-N 2 2 345.487 1.481 20 0 EDADLP Cc1[nH]ncc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348895139 445432431 /nfs/dbraw/zinc/43/24/31/445432431.db2.gz PQIJLAJIKKZBBF-UHFFFAOYSA-N 2 2 333.480 1.532 20 0 EDADLP Cc1ccc(CCC[N@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c[nH+]1 ZINC000354926951 445434305 /nfs/dbraw/zinc/43/43/05/445434305.db2.gz QYCWHUUOJSBQTA-KRWDZBQOSA-N 2 2 340.475 1.901 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CC[C@H](N(C)Cc3nccc(N)n3)C2)c[nH+]1 ZINC000354926951 445434310 /nfs/dbraw/zinc/43/43/10/445434310.db2.gz QYCWHUUOJSBQTA-KRWDZBQOSA-N 2 2 340.475 1.901 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)[C@@H](C)C2)C1 ZINC000352017520 445442111 /nfs/dbraw/zinc/44/21/11/445442111.db2.gz HSIQPSHZFRSWQN-LSDHHAIUSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)[C@@H](C)C2)C1 ZINC000352017520 445442116 /nfs/dbraw/zinc/44/21/16/445442116.db2.gz HSIQPSHZFRSWQN-LSDHHAIUSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)C1 ZINC000352017520 445442121 /nfs/dbraw/zinc/44/21/21/445442121.db2.gz HSIQPSHZFRSWQN-LSDHHAIUSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)C1 ZINC000352017520 445442126 /nfs/dbraw/zinc/44/21/26/445442126.db2.gz HSIQPSHZFRSWQN-LSDHHAIUSA-N 2 2 347.450 1.437 20 0 EDADLP COC[C@]1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000357255126 445510076 /nfs/dbraw/zinc/51/00/76/445510076.db2.gz FNXFTNOSFBFCOG-LJQANCHMSA-N 2 2 347.459 1.017 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000357277186 445520959 /nfs/dbraw/zinc/52/09/59/445520959.db2.gz XHYXGRGECZWKJC-WMZOPIPTSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000357277186 445520963 /nfs/dbraw/zinc/52/09/63/445520963.db2.gz XHYXGRGECZWKJC-WMZOPIPTSA-N 2 2 337.508 1.868 20 0 EDADLP COCCCn1nccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000349058962 445490502 /nfs/dbraw/zinc/49/05/02/445490502.db2.gz APCFHVNKAHLXRL-UHFFFAOYSA-N 2 2 337.512 1.377 20 0 EDADLP COCCCn1nccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000349058962 445490507 /nfs/dbraw/zinc/49/05/07/445490507.db2.gz APCFHVNKAHLXRL-UHFFFAOYSA-N 2 2 337.512 1.377 20 0 EDADLP COCCCn1nccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349058962 445490509 /nfs/dbraw/zinc/49/05/09/445490509.db2.gz APCFHVNKAHLXRL-UHFFFAOYSA-N 2 2 337.512 1.377 20 0 EDADLP COCCCn1nccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000349058962 445490512 /nfs/dbraw/zinc/49/05/12/445490512.db2.gz APCFHVNKAHLXRL-UHFFFAOYSA-N 2 2 337.512 1.377 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357302349 445535854 /nfs/dbraw/zinc/53/58/54/445535854.db2.gz QFMXMKXPRPAJML-RVKKMQEKSA-N 2 2 331.460 1.635 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@H](C(N)=O)CC[C@@H]3C)sc2C1 ZINC000359962261 445505745 /nfs/dbraw/zinc/50/57/45/445505745.db2.gz UOVRBDCDORFCMA-QWHCGFSZSA-N 2 2 336.505 1.995 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@H](C(N)=O)CC[C@@H]3C)sc2C1 ZINC000359962261 445505748 /nfs/dbraw/zinc/50/57/48/445505748.db2.gz UOVRBDCDORFCMA-QWHCGFSZSA-N 2 2 336.505 1.995 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)sc2C1 ZINC000359962261 445505751 /nfs/dbraw/zinc/50/57/51/445505751.db2.gz UOVRBDCDORFCMA-QWHCGFSZSA-N 2 2 336.505 1.995 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@H](C(N)=O)CC[C@@H]3C)sc2C1 ZINC000359962261 445505756 /nfs/dbraw/zinc/50/57/56/445505756.db2.gz UOVRBDCDORFCMA-QWHCGFSZSA-N 2 2 336.505 1.995 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)CC1CCC1 ZINC000362792966 445551786 /nfs/dbraw/zinc/55/17/86/445551786.db2.gz XEEZJMHWVWZIJF-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)CC1CCC1 ZINC000362792966 445551791 /nfs/dbraw/zinc/55/17/91/445551791.db2.gz XEEZJMHWVWZIJF-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)CC1CCC1 ZINC000362792966 445551795 /nfs/dbraw/zinc/55/17/95/445551795.db2.gz XEEZJMHWVWZIJF-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)CC1CCC1 ZINC000362792966 445551801 /nfs/dbraw/zinc/55/18/01/445551801.db2.gz XEEZJMHWVWZIJF-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000349302010 445559352 /nfs/dbraw/zinc/55/93/52/445559352.db2.gz WAPOGYXBQVVPDT-CQSZACIVSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000349302010 445559355 /nfs/dbraw/zinc/55/93/55/445559355.db2.gz WAPOGYXBQVVPDT-CQSZACIVSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000349302010 445559357 /nfs/dbraw/zinc/55/93/57/445559357.db2.gz WAPOGYXBQVVPDT-CQSZACIVSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000349302010 445559361 /nfs/dbraw/zinc/55/93/61/445559361.db2.gz WAPOGYXBQVVPDT-CQSZACIVSA-N 2 2 334.464 1.402 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cc[nH+]c(N(C)C)n1 ZINC000357461958 445560889 /nfs/dbraw/zinc/56/08/89/445560889.db2.gz STIVILSHCHUZGX-KBPBESRZSA-N 2 2 348.426 2.172 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cc[nH+]c(N(C)C)n1 ZINC000357461958 445560897 /nfs/dbraw/zinc/56/08/97/445560897.db2.gz STIVILSHCHUZGX-KBPBESRZSA-N 2 2 348.426 2.172 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc(N(C)C)s2)CCN1C1CC[NH+](C)CC1 ZINC000349319509 445562271 /nfs/dbraw/zinc/56/22/71/445562271.db2.gz TXGCXXJHNIIPFG-CQSZACIVSA-N 2 2 337.537 1.809 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)s2)CCN1C1CC[NH+](C)CC1 ZINC000349319509 445562273 /nfs/dbraw/zinc/56/22/73/445562273.db2.gz TXGCXXJHNIIPFG-CQSZACIVSA-N 2 2 337.537 1.809 20 0 EDADLP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362826685 445568174 /nfs/dbraw/zinc/56/81/74/445568174.db2.gz NPFBKMBWUIKOHF-KRWDZBQOSA-N 2 2 344.459 1.084 20 0 EDADLP CCc1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362826685 445568179 /nfs/dbraw/zinc/56/81/79/445568179.db2.gz NPFBKMBWUIKOHF-KRWDZBQOSA-N 2 2 344.459 1.084 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357615715 445571777 /nfs/dbraw/zinc/57/17/77/445571777.db2.gz DJOBQTCOAKBGEC-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357615715 445571780 /nfs/dbraw/zinc/57/17/80/445571780.db2.gz DJOBQTCOAKBGEC-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(C)c1 ZINC000362832354 445572902 /nfs/dbraw/zinc/57/29/02/445572902.db2.gz XWKWYXZQVWBBRE-INIZCTEOSA-N 2 2 344.459 1.138 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(C)c1 ZINC000362832354 445572905 /nfs/dbraw/zinc/57/29/05/445572905.db2.gz XWKWYXZQVWBBRE-INIZCTEOSA-N 2 2 344.459 1.138 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CCn1cc[nH+]c1 ZINC000349383940 445575503 /nfs/dbraw/zinc/57/55/03/445575503.db2.gz NGPGJWOZZAZOAB-UHFFFAOYSA-N 2 2 341.459 1.554 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000356026519 445577346 /nfs/dbraw/zinc/57/73/46/445577346.db2.gz WQSGVJJLAJGNFO-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000356026519 445577347 /nfs/dbraw/zinc/57/73/47/445577347.db2.gz WQSGVJJLAJGNFO-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1ccccc1 ZINC000356026519 445577351 /nfs/dbraw/zinc/57/73/51/445577351.db2.gz WQSGVJJLAJGNFO-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1ccccc1 ZINC000356026519 445577353 /nfs/dbraw/zinc/57/73/53/445577353.db2.gz WQSGVJJLAJGNFO-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000357312029 445543229 /nfs/dbraw/zinc/54/32/29/445543229.db2.gz UIFTXFXKWPTIHY-KRWDZBQOSA-N 2 2 330.432 1.780 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(=O)[nH]n1 ZINC000353455063 445609733 /nfs/dbraw/zinc/60/97/33/445609733.db2.gz OBTOHCRPEGSFRM-CQSZACIVSA-N 2 2 328.416 1.865 20 0 EDADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353520942 445640026 /nfs/dbraw/zinc/64/00/26/445640026.db2.gz QCXHZDGRSOQOJR-KBXCAEBGSA-N 2 2 328.416 1.470 20 0 EDADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353520942 445640031 /nfs/dbraw/zinc/64/00/31/445640031.db2.gz QCXHZDGRSOQOJR-KBXCAEBGSA-N 2 2 328.416 1.470 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C2CC(O)C2)CC1 ZINC000353541526 445648937 /nfs/dbraw/zinc/64/89/37/445648937.db2.gz YYWLVTZOZOWIRJ-FAEJEUNOSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C2CC(O)C2)CC1 ZINC000353541526 445648941 /nfs/dbraw/zinc/64/89/41/445648941.db2.gz YYWLVTZOZOWIRJ-FAEJEUNOSA-N 2 2 331.460 1.347 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000356165020 445656746 /nfs/dbraw/zinc/65/67/46/445656746.db2.gz HHONJLAQFFXXDX-SJLPKXTDSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000356165020 445656749 /nfs/dbraw/zinc/65/67/49/445656749.db2.gz HHONJLAQFFXXDX-SJLPKXTDSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000356158584 445654544 /nfs/dbraw/zinc/65/45/44/445654544.db2.gz ASKXALWQCMRVMF-KRWDZBQOSA-N 2 2 346.475 1.470 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@H](C)N3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000363059035 445663977 /nfs/dbraw/zinc/66/39/77/445663977.db2.gz ANAYUUPIOYKNTC-INIZCTEOSA-N 2 2 345.491 1.111 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H](C)[NH+]1C ZINC000358720094 445740182 /nfs/dbraw/zinc/74/01/82/445740182.db2.gz VBPMIAUYGBWDLJ-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP C[NH+]1CCN(C2(C(=O)NC3CC[NH+](C4CC4)CC3)CCCC2)CC1 ZINC000363297101 445755616 /nfs/dbraw/zinc/75/56/16/445755616.db2.gz KIHZUVODIYVATC-UHFFFAOYSA-N 2 2 334.508 1.290 20 0 EDADLP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000353807406 445765936 /nfs/dbraw/zinc/76/59/36/445765936.db2.gz NFULNQQNZFAJFE-DLBZAZTESA-N 2 2 348.516 1.813 20 0 EDADLP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000353807406 445765939 /nfs/dbraw/zinc/76/59/39/445765939.db2.gz NFULNQQNZFAJFE-DLBZAZTESA-N 2 2 348.516 1.813 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000358870009 445822539 /nfs/dbraw/zinc/82/25/39/445822539.db2.gz GTXXUSPVRRRZCQ-CALCHBBNSA-N 3 2 336.480 1.473 20 0 EDADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000358870009 445822541 /nfs/dbraw/zinc/82/25/41/445822541.db2.gz GTXXUSPVRRRZCQ-CALCHBBNSA-N 3 2 336.480 1.473 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C[C@H](C)OC ZINC000361566975 445823070 /nfs/dbraw/zinc/82/30/70/445823070.db2.gz PENIIFFSDUVWGS-SFHVURJKSA-N 2 2 347.503 1.996 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C[C@H](C)OC ZINC000361566975 445823073 /nfs/dbraw/zinc/82/30/73/445823073.db2.gz PENIIFFSDUVWGS-SFHVURJKSA-N 2 2 347.503 1.996 20 0 EDADLP CC(C)Cc1noc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363481765 445823153 /nfs/dbraw/zinc/82/31/53/445823153.db2.gz VECBBNJICGFOLN-MRXNPFEDSA-N 2 2 335.496 1.868 20 0 EDADLP CC(C)Cc1noc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363481765 445823157 /nfs/dbraw/zinc/82/31/57/445823157.db2.gz VECBBNJICGFOLN-MRXNPFEDSA-N 2 2 335.496 1.868 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000363495102 445831316 /nfs/dbraw/zinc/83/13/16/445831316.db2.gz HJFAAJLHAOYHFD-MRXNPFEDSA-N 2 2 334.464 1.939 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000363495102 445831320 /nfs/dbraw/zinc/83/13/20/445831320.db2.gz HJFAAJLHAOYHFD-MRXNPFEDSA-N 2 2 334.464 1.939 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N(CC(C)C)C2CC2)CC1 ZINC000361529758 445805609 /nfs/dbraw/zinc/80/56/09/445805609.db2.gz GDXZHALJJPNJDH-UHFFFAOYSA-N 2 2 346.475 1.859 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000361532039 445807043 /nfs/dbraw/zinc/80/70/43/445807043.db2.gz VMXZQGGNRCVQOP-JKSUJKDBSA-N 2 2 346.475 1.907 20 0 EDADLP CCCCCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000350681699 445879474 /nfs/dbraw/zinc/87/94/74/445879474.db2.gz LIKQAMDMMOTHKX-INIZCTEOSA-N 2 2 340.512 1.167 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000361698660 445883953 /nfs/dbraw/zinc/88/39/53/445883953.db2.gz JMXIKOSKYWSWOT-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000361698660 445883954 /nfs/dbraw/zinc/88/39/54/445883954.db2.gz JMXIKOSKYWSWOT-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc[nH+]1 ZINC000353973902 445835448 /nfs/dbraw/zinc/83/54/48/445835448.db2.gz HAFGHJZCKJLSES-OAHLLOKOSA-N 2 2 327.432 1.592 20 0 EDADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353994668 445844230 /nfs/dbraw/zinc/84/42/30/445844230.db2.gz CPLOHYHTEBCOJD-XWDNEUNKSA-N 2 2 337.508 1.865 20 0 EDADLP CCOC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353994668 445844235 /nfs/dbraw/zinc/84/42/35/445844235.db2.gz CPLOHYHTEBCOJD-XWDNEUNKSA-N 2 2 337.508 1.865 20 0 EDADLP CS[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1[NH+]1CCCC1 ZINC000361631831 445857353 /nfs/dbraw/zinc/85/73/53/445857353.db2.gz QRCABVWGPLCCCF-GJZGRUSLSA-N 2 2 338.477 1.388 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2CCC[C@@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000350724120 445888208 /nfs/dbraw/zinc/88/82/08/445888208.db2.gz HKKYSZQHTDSFQO-AEFFLSMTSA-N 2 2 329.444 1.942 20 0 EDADLP O=C(C[N@H+]1C[C@H]2CCC[C@@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000350724120 445888211 /nfs/dbraw/zinc/88/82/11/445888211.db2.gz HKKYSZQHTDSFQO-AEFFLSMTSA-N 2 2 329.444 1.942 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000361778666 445936457 /nfs/dbraw/zinc/93/64/57/445936457.db2.gz BVWGLLSCONZAMW-HOTGVXAUSA-N 2 2 349.479 1.417 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000361778666 445936460 /nfs/dbraw/zinc/93/64/60/445936460.db2.gz BVWGLLSCONZAMW-HOTGVXAUSA-N 2 2 349.479 1.417 20 0 EDADLP Cc1cc(N(C)C2CC[NH+](CCO)CC2)nc(-c2ccncc2)[nH+]1 ZINC000350735251 445891857 /nfs/dbraw/zinc/89/18/57/445891857.db2.gz FFAYFFQPDYWAGD-UHFFFAOYSA-N 2 2 327.432 1.740 20 0 EDADLP CCOC(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364215371 445901164 /nfs/dbraw/zinc/90/11/64/445901164.db2.gz PGPZPLTXKRBPKL-INIZCTEOSA-N 2 2 340.512 1.611 20 0 EDADLP CCOC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364215371 445901167 /nfs/dbraw/zinc/90/11/67/445901167.db2.gz PGPZPLTXKRBPKL-INIZCTEOSA-N 2 2 340.512 1.611 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000582363185 325830566 /nfs/dbraw/zinc/83/05/66/325830566.db2.gz MBDNSAYQWSPUHU-UHFFFAOYSA-N 2 2 341.459 1.140 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000369080798 445915915 /nfs/dbraw/zinc/91/59/15/445915915.db2.gz JRUJQKDJTFJRCQ-JYJNAYRXSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000369080798 445915923 /nfs/dbraw/zinc/91/59/23/445915923.db2.gz JRUJQKDJTFJRCQ-JYJNAYRXSA-N 2 2 338.496 1.412 20 0 EDADLP c1cc(N[C@H]2CCCOC2)nc(N2CCCC[C@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000364665067 445943162 /nfs/dbraw/zinc/94/31/62/445943162.db2.gz QORBEWGOTBOJGA-IRXDYDNUSA-N 2 2 345.491 2.522 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000582415667 325842274 /nfs/dbraw/zinc/84/22/74/325842274.db2.gz FVJAUVGGZVNOSE-NFAWXSAZSA-N 2 2 328.403 1.567 20 0 EDADLP c1nc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc(NCC2CC2)[nH+]1 ZINC000361800769 445957646 /nfs/dbraw/zinc/95/76/46/445957646.db2.gz VXWNZEQMFDIQGS-JKSUJKDBSA-N 2 2 331.464 2.211 20 0 EDADLP c1nc(NCC2CC2)cc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)[nH+]1 ZINC000361800769 445957654 /nfs/dbraw/zinc/95/76/54/445957654.db2.gz VXWNZEQMFDIQGS-JKSUJKDBSA-N 2 2 331.464 2.211 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000356748281 445986424 /nfs/dbraw/zinc/98/64/24/445986424.db2.gz VMUKPWPHZMARTQ-NEWSRXKRSA-N 2 2 343.471 1.583 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000356748281 445986427 /nfs/dbraw/zinc/98/64/27/445986427.db2.gz VMUKPWPHZMARTQ-NEWSRXKRSA-N 2 2 343.471 1.583 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1[nH+]ccn1C ZINC000369217502 445999467 /nfs/dbraw/zinc/99/94/67/445999467.db2.gz ZHGPZXZVNFIQTI-KCXAZCMYSA-N 2 2 344.415 1.141 20 0 EDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366108246 446017227 /nfs/dbraw/zinc/01/72/27/446017227.db2.gz YFTWCBIJHWRBML-ZDUSSCGKSA-N 2 2 331.420 1.633 20 0 EDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366108246 446017234 /nfs/dbraw/zinc/01/72/34/446017234.db2.gz YFTWCBIJHWRBML-ZDUSSCGKSA-N 2 2 331.420 1.633 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366123995 446028664 /nfs/dbraw/zinc/02/86/64/446028664.db2.gz CNZNQTYVPRJJJQ-KBPBESRZSA-N 2 2 335.452 1.019 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366123995 446028670 /nfs/dbraw/zinc/02/86/70/446028670.db2.gz CNZNQTYVPRJJJQ-KBPBESRZSA-N 2 2 335.452 1.019 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000369267427 446032273 /nfs/dbraw/zinc/03/22/73/446032273.db2.gz DADWAGJHXDWUMD-MRXNPFEDSA-N 2 2 346.479 1.409 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCSc3ccccc3)CCO2)CC1 ZINC000369270713 446036010 /nfs/dbraw/zinc/03/60/10/446036010.db2.gz MNNOEROQVRRGFI-KRWDZBQOSA-N 2 2 335.517 1.727 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCSc3ccccc3)CCO2)CC1 ZINC000369270713 446036015 /nfs/dbraw/zinc/03/60/15/446036015.db2.gz MNNOEROQVRRGFI-KRWDZBQOSA-N 2 2 335.517 1.727 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000365130339 446043831 /nfs/dbraw/zinc/04/38/31/446043831.db2.gz BZZJSHICIOPLOZ-HNNXBMFYSA-N 2 2 328.420 1.487 20 0 EDADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC000356782003 446013676 /nfs/dbraw/zinc/01/36/76/446013676.db2.gz KBBDSZABIOWCKT-DLBZAZTESA-N 2 2 325.497 1.188 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC000356782003 446013678 /nfs/dbraw/zinc/01/36/78/446013678.db2.gz KBBDSZABIOWCKT-DLBZAZTESA-N 2 2 325.497 1.188 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000583193766 326022920 /nfs/dbraw/zinc/02/29/20/326022920.db2.gz OJKHZNRLBYTDOB-NVXWUHKLSA-N 2 2 346.475 1.835 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000365149303 446053983 /nfs/dbraw/zinc/05/39/83/446053983.db2.gz VGMSVOHWODPFQQ-HUUCEWRRSA-N 2 2 325.478 1.906 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H]1CCS(=O)(=O)C1 ZINC000365149303 446053984 /nfs/dbraw/zinc/05/39/84/446053984.db2.gz VGMSVOHWODPFQQ-HUUCEWRRSA-N 2 2 325.478 1.906 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000583735450 326127777 /nfs/dbraw/zinc/12/77/77/326127777.db2.gz DJFMRAFQCFLFBZ-CALCHBBNSA-N 2 2 332.448 1.733 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000583735450 326127779 /nfs/dbraw/zinc/12/77/79/326127779.db2.gz DJFMRAFQCFLFBZ-CALCHBBNSA-N 2 2 332.448 1.733 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000369312023 446065489 /nfs/dbraw/zinc/06/54/89/446065489.db2.gz KEBOYDYJXWFCRQ-BFYDXBDKSA-N 2 2 348.447 1.354 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000584299657 326239188 /nfs/dbraw/zinc/23/91/88/326239188.db2.gz QZRBVRPLQTUANX-CQSZACIVSA-N 2 2 349.456 1.692 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000584299657 326239191 /nfs/dbraw/zinc/23/91/91/326239191.db2.gz QZRBVRPLQTUANX-CQSZACIVSA-N 2 2 349.456 1.692 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000584299200 326239256 /nfs/dbraw/zinc/23/92/56/326239256.db2.gz BGOAUNDCZUXURO-UHFFFAOYSA-N 2 2 338.459 1.818 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369315955 446068081 /nfs/dbraw/zinc/06/80/81/446068081.db2.gz MNWZNLNSESVRMZ-ZBFHGGJFSA-N 2 2 340.431 1.645 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369315955 446068087 /nfs/dbraw/zinc/06/80/87/446068087.db2.gz MNWZNLNSESVRMZ-ZBFHGGJFSA-N 2 2 340.431 1.645 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354354280 446138482 /nfs/dbraw/zinc/13/84/82/446138482.db2.gz YHXDCQYZMKFURW-ZWKOTPCHSA-N 2 2 345.443 1.562 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354354280 446138489 /nfs/dbraw/zinc/13/84/89/446138489.db2.gz YHXDCQYZMKFURW-ZWKOTPCHSA-N 2 2 345.443 1.562 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365245755 446098542 /nfs/dbraw/zinc/09/85/42/446098542.db2.gz WXLPOXQQCYVROU-INIZCTEOSA-N 2 2 346.475 1.897 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)C1 ZINC000369360317 446101158 /nfs/dbraw/zinc/10/11/58/446101158.db2.gz WCEQJGXGQLWUKI-MRXNPFEDSA-N 2 2 327.432 1.186 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)C1 ZINC000369360317 446101162 /nfs/dbraw/zinc/10/11/62/446101162.db2.gz WCEQJGXGQLWUKI-MRXNPFEDSA-N 2 2 327.432 1.186 20 0 EDADLP COc1ccc(CN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000359269121 446106826 /nfs/dbraw/zinc/10/68/26/446106826.db2.gz BVOAISYAINFJOQ-HOTGVXAUSA-N 2 2 329.444 1.337 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCSCC3)C2)CC1 ZINC000369372989 446111479 /nfs/dbraw/zinc/11/14/79/446111479.db2.gz NLHNDJOEGQXLQZ-AWEZNQCLSA-N 2 2 326.510 1.303 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCSCC3)C2)CC1 ZINC000369372989 446111481 /nfs/dbraw/zinc/11/14/81/446111481.db2.gz NLHNDJOEGQXLQZ-AWEZNQCLSA-N 2 2 326.510 1.303 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354358902 446141171 /nfs/dbraw/zinc/14/11/71/446141171.db2.gz WUDAOEVOXQZUPE-JZXOWHBKSA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354358902 446141178 /nfs/dbraw/zinc/14/11/78/446141178.db2.gz WUDAOEVOXQZUPE-JZXOWHBKSA-N 2 2 337.508 1.817 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CCO1 ZINC000354394470 446172826 /nfs/dbraw/zinc/17/28/26/446172826.db2.gz OYOANNVZAXLJMN-GOSISDBHSA-N 2 2 342.443 1.263 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000365374317 446174553 /nfs/dbraw/zinc/17/45/53/446174553.db2.gz AXVXDNZSJRTIFT-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000365374317 446174560 /nfs/dbraw/zinc/17/45/60/446174560.db2.gz AXVXDNZSJRTIFT-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H](CO)C3)CC2)c1 ZINC000362055001 446181342 /nfs/dbraw/zinc/18/13/42/446181342.db2.gz LYZGXJNLNUVKLA-HKUYNNGSSA-N 2 2 345.487 1.199 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H](CO)C3)CC2)c1 ZINC000362055001 446181348 /nfs/dbraw/zinc/18/13/48/446181348.db2.gz LYZGXJNLNUVKLA-HKUYNNGSSA-N 2 2 345.487 1.199 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H](C)O1 ZINC000373367825 446184671 /nfs/dbraw/zinc/18/46/71/446184671.db2.gz DQYTYRYLJWGNDE-KFWWJZLASA-N 2 2 334.464 1.835 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CCCc3[nH]c[nH+]c32)C[C@@H](C)O1 ZINC000373367825 446184674 /nfs/dbraw/zinc/18/46/74/446184674.db2.gz DQYTYRYLJWGNDE-KFWWJZLASA-N 2 2 334.464 1.835 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000366445686 446217912 /nfs/dbraw/zinc/21/79/12/446217912.db2.gz XRJMLBLIZPEWMM-KRWDZBQOSA-N 2 2 332.448 1.080 20 0 EDADLP c1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000365470611 446222711 /nfs/dbraw/zinc/22/27/11/446222711.db2.gz ITBOZAYCNCAMLZ-ARFHVFGLSA-N 2 2 329.448 1.234 20 0 EDADLP c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000365470611 446222715 /nfs/dbraw/zinc/22/27/15/446222715.db2.gz ITBOZAYCNCAMLZ-ARFHVFGLSA-N 2 2 329.448 1.234 20 0 EDADLP c1nc(N2CCOCC2)cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)[nH+]1 ZINC000365470611 446222717 /nfs/dbraw/zinc/22/27/17/446222717.db2.gz ITBOZAYCNCAMLZ-ARFHVFGLSA-N 2 2 329.448 1.234 20 0 EDADLP c1nc(N2CCOCC2)cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)[nH+]1 ZINC000365470611 446222719 /nfs/dbraw/zinc/22/27/19/446222719.db2.gz ITBOZAYCNCAMLZ-ARFHVFGLSA-N 2 2 329.448 1.234 20 0 EDADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000370342669 446237658 /nfs/dbraw/zinc/23/76/58/446237658.db2.gz LEQIJWIOMOIFPH-QZTJIDSGSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000370342669 446237662 /nfs/dbraw/zinc/23/76/62/446237662.db2.gz LEQIJWIOMOIFPH-QZTJIDSGSA-N 2 2 331.460 1.224 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365544515 446248488 /nfs/dbraw/zinc/24/84/88/446248488.db2.gz GEBGFSPFVOWOHQ-BHIYHBOVSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365544515 446248490 /nfs/dbraw/zinc/24/84/90/446248490.db2.gz GEBGFSPFVOWOHQ-BHIYHBOVSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365544515 446248493 /nfs/dbraw/zinc/24/84/93/446248493.db2.gz GEBGFSPFVOWOHQ-BHIYHBOVSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365544515 446248496 /nfs/dbraw/zinc/24/84/96/446248496.db2.gz GEBGFSPFVOWOHQ-BHIYHBOVSA-N 2 2 343.471 1.728 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000366531055 446250463 /nfs/dbraw/zinc/25/04/63/446250463.db2.gz HTEVRAVTWHPHAF-CQSZACIVSA-N 2 2 328.420 1.209 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000366531055 446250467 /nfs/dbraw/zinc/25/04/67/446250467.db2.gz HTEVRAVTWHPHAF-CQSZACIVSA-N 2 2 328.420 1.209 20 0 EDADLP c1ccc(C[NH+]2CCC([NH2+]CC3(N4CCOCC4)CC3)CC2)nc1 ZINC000365793621 446345947 /nfs/dbraw/zinc/34/59/47/446345947.db2.gz GOIPHPPHGHKIIE-UHFFFAOYSA-N 2 2 330.476 1.500 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000370606557 446354611 /nfs/dbraw/zinc/35/46/11/446354611.db2.gz MSBDWHZQGQDYRS-QGZVFWFLSA-N 2 2 346.475 1.797 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000370606557 446354615 /nfs/dbraw/zinc/35/46/15/446354615.db2.gz MSBDWHZQGQDYRS-QGZVFWFLSA-N 2 2 346.475 1.797 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000370678282 446383667 /nfs/dbraw/zinc/38/36/67/446383667.db2.gz VWTYUEKCPXVMRA-JKSUJKDBSA-N 2 2 331.395 1.804 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000370678282 446383672 /nfs/dbraw/zinc/38/36/72/446383672.db2.gz VWTYUEKCPXVMRA-JKSUJKDBSA-N 2 2 331.395 1.804 20 0 EDADLP C[N@H+](CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000370683429 446386011 /nfs/dbraw/zinc/38/60/11/446386011.db2.gz JPXPWBUCZLNQTL-HNNXBMFYSA-N 2 2 327.432 1.698 20 0 EDADLP C[N@@H+](CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000370683429 446386015 /nfs/dbraw/zinc/38/60/15/446386015.db2.gz JPXPWBUCZLNQTL-HNNXBMFYSA-N 2 2 327.432 1.698 20 0 EDADLP C[N@H+](CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000370683429 446386020 /nfs/dbraw/zinc/38/60/20/446386020.db2.gz JPXPWBUCZLNQTL-HNNXBMFYSA-N 2 2 327.432 1.698 20 0 EDADLP C[N@@H+](CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000370683429 446386025 /nfs/dbraw/zinc/38/60/25/446386025.db2.gz JPXPWBUCZLNQTL-HNNXBMFYSA-N 2 2 327.432 1.698 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000365882917 446387285 /nfs/dbraw/zinc/38/72/85/446387285.db2.gz FMURFTVTJXOQMV-INIZCTEOSA-N 3 2 333.480 1.245 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000365882917 446387288 /nfs/dbraw/zinc/38/72/88/446387288.db2.gz FMURFTVTJXOQMV-INIZCTEOSA-N 3 2 333.480 1.245 20 0 EDADLP Cc1nc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c2c([nH+]1)CCCC2 ZINC000374756421 446391071 /nfs/dbraw/zinc/39/10/71/446391071.db2.gz ZXQSOYGITKOYPP-CRAIPNDOSA-N 2 2 330.476 2.577 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370702465 446394342 /nfs/dbraw/zinc/39/43/42/446394342.db2.gz XLDTWDFDTFWKCO-RDJZCZTQSA-N 2 2 332.496 1.000 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370702465 446394345 /nfs/dbraw/zinc/39/43/45/446394345.db2.gz XLDTWDFDTFWKCO-RDJZCZTQSA-N 2 2 332.496 1.000 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)nc(C(C)C)[nH+]1 ZINC000376239892 446395976 /nfs/dbraw/zinc/39/59/76/446395976.db2.gz MPUMXUMLDINMJT-BEFAXECRSA-N 2 2 343.475 1.557 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417953748 446398594 /nfs/dbraw/zinc/39/85/94/446398594.db2.gz OWBHCXZTMWUFAK-OLZOCXBDSA-N 2 2 348.344 1.603 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417953748 446398598 /nfs/dbraw/zinc/39/85/98/446398598.db2.gz OWBHCXZTMWUFAK-OLZOCXBDSA-N 2 2 348.344 1.603 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[C@H](N4CC[NH2+]CC4)C3)nc[nH+]2)C1 ZINC000420251985 446433733 /nfs/dbraw/zinc/43/37/33/446433733.db2.gz NDFZLYBDIDCTRN-CVEARBPZSA-N 2 2 330.480 1.197 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@H]3CC[NH2+]CC3(F)F)[nH+]cn2)C1 ZINC000420273743 446443945 /nfs/dbraw/zinc/44/39/45/446443945.db2.gz FGSDCGLEFAAKAC-CHWSQXEVSA-N 2 2 341.406 1.342 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@H]3CC[NH2+]CC3(F)F)nc[nH+]2)C1 ZINC000420273743 446443950 /nfs/dbraw/zinc/44/39/50/446443950.db2.gz FGSDCGLEFAAKAC-CHWSQXEVSA-N 2 2 341.406 1.342 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417984204 446406513 /nfs/dbraw/zinc/40/65/13/446406513.db2.gz CXRBXTFZPGNHJF-FGEZKYSXSA-N 2 2 344.381 1.886 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417984204 446406519 /nfs/dbraw/zinc/40/65/19/446406519.db2.gz CXRBXTFZPGNHJF-FGEZKYSXSA-N 2 2 344.381 1.886 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376372816 446459839 /nfs/dbraw/zinc/45/98/39/446459839.db2.gz BOMXJZCDLCJRDL-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376372816 446459844 /nfs/dbraw/zinc/45/98/44/446459844.db2.gz BOMXJZCDLCJRDL-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)[nH+]1 ZINC000411294872 446472996 /nfs/dbraw/zinc/47/29/96/446472996.db2.gz DERMLTILBNBYDR-IUODEOHRSA-N 2 2 332.448 1.790 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(C)[nH+]1 ZINC000411294872 446473004 /nfs/dbraw/zinc/47/30/04/446473004.db2.gz DERMLTILBNBYDR-IUODEOHRSA-N 2 2 332.448 1.790 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)[nH+]1 ZINC000411294875 446473299 /nfs/dbraw/zinc/47/32/99/446473299.db2.gz DERMLTILBNBYDR-WFASDCNBSA-N 2 2 332.448 1.790 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)[nH+]1 ZINC000411294875 446473306 /nfs/dbraw/zinc/47/33/06/446473306.db2.gz DERMLTILBNBYDR-WFASDCNBSA-N 2 2 332.448 1.790 20 0 EDADLP CN(C)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000370839115 446473788 /nfs/dbraw/zinc/47/37/88/446473788.db2.gz HNYSIWPSUXHAQQ-KRWDZBQOSA-N 2 2 345.491 1.388 20 0 EDADLP CN(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000370839115 446473793 /nfs/dbraw/zinc/47/37/93/446473793.db2.gz HNYSIWPSUXHAQQ-KRWDZBQOSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311988 446475959 /nfs/dbraw/zinc/47/59/59/446475959.db2.gz HKKBXLYLPVSCHZ-GHMZBOCLSA-N 2 2 331.399 1.506 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311988 446475964 /nfs/dbraw/zinc/47/59/64/446475964.db2.gz HKKBXLYLPVSCHZ-GHMZBOCLSA-N 2 2 331.399 1.506 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](c3cnn(C)c3)C2)cc1 ZINC000420313398 446477619 /nfs/dbraw/zinc/47/76/19/446477619.db2.gz JAKUAZNAJRRATE-QAPCUYQASA-N 2 2 330.432 1.545 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](c3cnn(C)c3)C2)cc1 ZINC000420313398 446477624 /nfs/dbraw/zinc/47/76/24/446477624.db2.gz JAKUAZNAJRRATE-QAPCUYQASA-N 2 2 330.432 1.545 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n2)c(OC)c1 ZINC000420314295 446478001 /nfs/dbraw/zinc/47/80/01/446478001.db2.gz VNKVEHLRJBURNY-GLQYFDAESA-N 2 2 344.415 1.923 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n2)c(OC)c1 ZINC000420314295 446478012 /nfs/dbraw/zinc/47/80/12/446478012.db2.gz VNKVEHLRJBURNY-GLQYFDAESA-N 2 2 344.415 1.923 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCCc1cccc2cccnc21 ZINC000420314603 446480654 /nfs/dbraw/zinc/48/06/54/446480654.db2.gz VWIUHBNJKNCDCL-HXUWFJFHSA-N 2 2 338.455 1.579 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCCc1cccc2cccnc21 ZINC000420314603 446480656 /nfs/dbraw/zinc/48/06/56/446480656.db2.gz VWIUHBNJKNCDCL-HXUWFJFHSA-N 2 2 338.455 1.579 20 0 EDADLP [NH3+]CCC[N@@H+](Cc1nnnn1CC1CCOCC1)CC1CCCC1 ZINC000420317448 446482884 /nfs/dbraw/zinc/48/28/84/446482884.db2.gz OOZXQJATQKUANN-UHFFFAOYSA-N 2 2 336.484 1.441 20 0 EDADLP [NH3+]CCC[N@H+](Cc1nnnn1CC1CCOCC1)CC1CCCC1 ZINC000420317448 446482891 /nfs/dbraw/zinc/48/28/91/446482891.db2.gz OOZXQJATQKUANN-UHFFFAOYSA-N 2 2 336.484 1.441 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420319845 446485591 /nfs/dbraw/zinc/48/55/91/446485591.db2.gz APJKYHYMDPRKDV-MRXNPFEDSA-N 2 2 331.460 1.929 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420319845 446485597 /nfs/dbraw/zinc/48/55/97/446485597.db2.gz APJKYHYMDPRKDV-MRXNPFEDSA-N 2 2 331.460 1.929 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000423332473 446491136 /nfs/dbraw/zinc/49/11/36/446491136.db2.gz NKSKULQSSGRRAY-AWEZNQCLSA-N 2 2 340.427 1.868 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418303947 446492869 /nfs/dbraw/zinc/49/28/69/446492869.db2.gz UMTLSGLEJKWTPB-UHFFFAOYSA-N 2 2 337.493 1.503 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418303947 446492875 /nfs/dbraw/zinc/49/28/75/446492875.db2.gz UMTLSGLEJKWTPB-UHFFFAOYSA-N 2 2 337.493 1.503 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(C)[nH+]1 ZINC000411358912 446504755 /nfs/dbraw/zinc/50/47/55/446504755.db2.gz QKDNPQFUELTMJS-CABCVRRESA-N 2 2 330.432 1.498 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c(C)[nH+]1 ZINC000411358912 446504757 /nfs/dbraw/zinc/50/47/57/446504757.db2.gz QKDNPQFUELTMJS-CABCVRRESA-N 2 2 330.432 1.498 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000411393309 446516103 /nfs/dbraw/zinc/51/61/03/446516103.db2.gz AODPYFHUQZRUPS-HNNXBMFYSA-N 2 2 327.432 1.594 20 0 EDADLP O=C(NCC1C[NH2+]C1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000418483040 446559244 /nfs/dbraw/zinc/55/92/44/446559244.db2.gz FEUUVUIVOLSGRB-UHFFFAOYSA-N 2 2 347.850 1.968 20 0 EDADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420385740 446560195 /nfs/dbraw/zinc/56/01/95/446560195.db2.gz HYVYXFIQMMZUSH-ZCYBBYNQSA-N 2 2 349.519 1.711 20 0 EDADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420385740 446560201 /nfs/dbraw/zinc/56/02/01/446560201.db2.gz HYVYXFIQMMZUSH-ZCYBBYNQSA-N 2 2 349.519 1.711 20 0 EDADLP CCC[NH2+]CCNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418483133 446561008 /nfs/dbraw/zinc/56/10/08/446561008.db2.gz WMIZLYQPEVXVOI-AWEZNQCLSA-N 2 2 335.452 1.310 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423403331 446520026 /nfs/dbraw/zinc/52/00/26/446520026.db2.gz XJIGSJFHYWYYIS-VFVRVIDISA-N 2 2 335.398 1.797 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423403331 446520029 /nfs/dbraw/zinc/52/00/29/446520029.db2.gz XJIGSJFHYWYYIS-VFVRVIDISA-N 2 2 335.398 1.797 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423417021 446524646 /nfs/dbraw/zinc/52/46/46/446524646.db2.gz GGFNPXBWCSRLPQ-LTFPLMDUSA-N 3 2 329.488 1.600 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423417021 446524651 /nfs/dbraw/zinc/52/46/51/446524651.db2.gz GGFNPXBWCSRLPQ-LTFPLMDUSA-N 3 2 329.488 1.600 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423417022 446524870 /nfs/dbraw/zinc/52/48/70/446524870.db2.gz GGFNPXBWCSRLPQ-UJMXGEILSA-N 3 2 329.488 1.600 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423417022 446524876 /nfs/dbraw/zinc/52/48/76/446524876.db2.gz GGFNPXBWCSRLPQ-UJMXGEILSA-N 3 2 329.488 1.600 20 0 EDADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000420358210 446537799 /nfs/dbraw/zinc/53/77/99/446537799.db2.gz TWXGECHQJIRXBC-CHWSQXEVSA-N 2 2 331.338 1.062 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000420358210 446537806 /nfs/dbraw/zinc/53/78/06/446537806.db2.gz TWXGECHQJIRXBC-CHWSQXEVSA-N 2 2 331.338 1.062 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420357903 446538317 /nfs/dbraw/zinc/53/83/17/446538317.db2.gz ICAONIXBZXEGSI-QGZVFWFLSA-N 2 2 348.491 1.420 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423442339 446539630 /nfs/dbraw/zinc/53/96/30/446539630.db2.gz JXLRAMHDNYWNNG-RDBSUJKOSA-N 2 2 341.477 1.094 20 0 EDADLP Cc1ccn2cc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)[nH+]c2c1 ZINC000433170243 446542485 /nfs/dbraw/zinc/54/24/85/446542485.db2.gz VHFNEOXDJIDRIW-UHFFFAOYSA-N 3 2 329.448 1.462 20 0 EDADLP COC1([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000453080431 446543082 /nfs/dbraw/zinc/54/30/82/446543082.db2.gz LUIUHYWRZPVODY-APWZRJJASA-N 2 2 348.487 1.579 20 0 EDADLP COC1([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000453080431 446543089 /nfs/dbraw/zinc/54/30/89/446543089.db2.gz LUIUHYWRZPVODY-APWZRJJASA-N 2 2 348.487 1.579 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000418448697 446545578 /nfs/dbraw/zinc/54/55/78/446545578.db2.gz JJHJOQPJYWSCDD-IRXDYDNUSA-N 2 2 332.448 1.193 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000418455676 446549492 /nfs/dbraw/zinc/54/94/92/446549492.db2.gz BZCUYFKGTXHWMG-GJZGRUSLSA-N 2 2 334.468 1.210 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000418455676 446549497 /nfs/dbraw/zinc/54/94/97/446549497.db2.gz BZCUYFKGTXHWMG-GJZGRUSLSA-N 2 2 334.468 1.210 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H]3[C@@H](C)CC[NH2+][C@H]3C)CC2)c1 ZINC000420373472 446550736 /nfs/dbraw/zinc/55/07/36/446550736.db2.gz RDMSHJPGBOWFPO-ABSDTBQOSA-N 2 2 344.503 1.620 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(C(=O)N(C)C)cc1 ZINC000453257516 446552261 /nfs/dbraw/zinc/55/22/61/446552261.db2.gz HBIDMQARWRRTOF-CRAIPNDOSA-N 2 2 333.476 1.886 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(C(=O)N(C)C)cc1 ZINC000453257516 446552271 /nfs/dbraw/zinc/55/22/71/446552271.db2.gz HBIDMQARWRRTOF-CRAIPNDOSA-N 2 2 333.476 1.886 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000420376518 446554279 /nfs/dbraw/zinc/55/42/79/446554279.db2.gz PFPRYFMLEWCDAS-LPHOPBHVSA-N 2 2 329.444 1.876 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000420376518 446554283 /nfs/dbraw/zinc/55/42/83/446554283.db2.gz PFPRYFMLEWCDAS-LPHOPBHVSA-N 2 2 329.444 1.876 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000423560645 446574220 /nfs/dbraw/zinc/57/42/20/446574220.db2.gz VIXQMXUBUAOIQY-XJKSGUPXSA-N 2 2 347.459 1.176 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000423560645 446574226 /nfs/dbraw/zinc/57/42/26/446574226.db2.gz VIXQMXUBUAOIQY-XJKSGUPXSA-N 2 2 347.459 1.176 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000423563893 446576865 /nfs/dbraw/zinc/57/68/65/446576865.db2.gz XKZDQCSETMSQLW-XHSDSOJGSA-N 2 2 349.479 1.124 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420403907 446576963 /nfs/dbraw/zinc/57/69/63/446576963.db2.gz LOBDQIKNVLGYCZ-WFASDCNBSA-N 2 2 333.432 1.637 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420403907 446576969 /nfs/dbraw/zinc/57/69/69/446576969.db2.gz LOBDQIKNVLGYCZ-WFASDCNBSA-N 2 2 333.432 1.637 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418529257 446582269 /nfs/dbraw/zinc/58/22/69/446582269.db2.gz SYMOGHXICUUSAF-PVAVHDDUSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418529257 446582275 /nfs/dbraw/zinc/58/22/75/446582275.db2.gz SYMOGHXICUUSAF-PVAVHDDUSA-N 3 2 339.528 1.312 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420411494 446584520 /nfs/dbraw/zinc/58/45/20/446584520.db2.gz RQSQBNGFWLAJOK-VNHYZAJKSA-N 2 2 332.448 1.889 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420411494 446584527 /nfs/dbraw/zinc/58/45/27/446584527.db2.gz RQSQBNGFWLAJOK-VNHYZAJKSA-N 2 2 332.448 1.889 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC[N@@H+]1C ZINC000433509676 446584769 /nfs/dbraw/zinc/58/47/69/446584769.db2.gz NOZWBIKUNHAPDN-CTASWTNQSA-N 2 2 335.452 1.422 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC[N@H+]1C ZINC000433509676 446584774 /nfs/dbraw/zinc/58/47/74/446584774.db2.gz NOZWBIKUNHAPDN-CTASWTNQSA-N 2 2 335.452 1.422 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CC1 ZINC000376615774 446607402 /nfs/dbraw/zinc/60/74/02/446607402.db2.gz SBGDWZJIIZAPEJ-QYZOEREBSA-N 2 2 343.471 1.265 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CC1 ZINC000376615774 446607405 /nfs/dbraw/zinc/60/74/05/446607405.db2.gz SBGDWZJIIZAPEJ-QYZOEREBSA-N 2 2 343.471 1.265 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CC1 ZINC000376615773 446607718 /nfs/dbraw/zinc/60/77/18/446607718.db2.gz SBGDWZJIIZAPEJ-QRVBRYPASA-N 2 2 343.471 1.265 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CC1 ZINC000376615773 446607719 /nfs/dbraw/zinc/60/77/19/446607719.db2.gz SBGDWZJIIZAPEJ-QRVBRYPASA-N 2 2 343.471 1.265 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(C)[nH+]1 ZINC000411571439 446608920 /nfs/dbraw/zinc/60/89/20/446608920.db2.gz PBZKREULEAATAZ-GFCCVEGCSA-N 2 2 344.459 1.888 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c(C)[nH+]1 ZINC000411571439 446608926 /nfs/dbraw/zinc/60/89/26/446608926.db2.gz PBZKREULEAATAZ-GFCCVEGCSA-N 2 2 344.459 1.888 20 0 EDADLP CCO[C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000376677169 446644907 /nfs/dbraw/zinc/64/49/07/446644907.db2.gz BQDWCRAMARYBGR-CABCVRRESA-N 2 2 334.464 1.799 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCCNC2=O)C1 ZINC000411687361 446646703 /nfs/dbraw/zinc/64/67/03/446646703.db2.gz MLAHUFGMWKQAFD-LSDHHAIUSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCCNC2=O)C1 ZINC000411687361 446646707 /nfs/dbraw/zinc/64/67/07/446646707.db2.gz MLAHUFGMWKQAFD-LSDHHAIUSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000411687361 446646711 /nfs/dbraw/zinc/64/67/11/446646711.db2.gz MLAHUFGMWKQAFD-LSDHHAIUSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCCNC2=O)C1 ZINC000411687361 446646715 /nfs/dbraw/zinc/64/67/15/446646715.db2.gz MLAHUFGMWKQAFD-LSDHHAIUSA-N 2 2 336.505 1.874 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)[C@H](c2ccccc2)C1 ZINC000423722581 446659931 /nfs/dbraw/zinc/65/99/31/446659931.db2.gz GJRWJNQRJSZIJI-YJBOKZPZSA-N 2 2 339.443 1.616 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)[C@H](c2ccccc2)C1 ZINC000423722581 446659934 /nfs/dbraw/zinc/65/99/34/446659934.db2.gz GJRWJNQRJSZIJI-YJBOKZPZSA-N 2 2 339.443 1.616 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[N@@H+](C2CC2)C1 ZINC000418737917 446662708 /nfs/dbraw/zinc/66/27/08/446662708.db2.gz WLRPXTNYQLHEIA-STQMWFEESA-N 2 2 330.423 1.357 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[N@H+](C2CC2)C1 ZINC000418737917 446662712 /nfs/dbraw/zinc/66/27/12/446662712.db2.gz WLRPXTNYQLHEIA-STQMWFEESA-N 2 2 330.423 1.357 20 0 EDADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H](O)COCc3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000375245288 446666326 /nfs/dbraw/zinc/66/63/26/446666326.db2.gz QGKBXZMPPSLLGE-IXDOHACOSA-N 2 2 348.443 1.319 20 0 EDADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H](O)COCc3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000375245288 446666330 /nfs/dbraw/zinc/66/63/30/446666330.db2.gz QGKBXZMPPSLLGE-IXDOHACOSA-N 2 2 348.443 1.319 20 0 EDADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H](O)COCc3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000375245288 446666338 /nfs/dbraw/zinc/66/63/38/446666338.db2.gz QGKBXZMPPSLLGE-IXDOHACOSA-N 2 2 348.443 1.319 20 0 EDADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H](O)COCc3ccc4c(c3)OCO4)[C@@H]2C1 ZINC000375245288 446666343 /nfs/dbraw/zinc/66/63/43/446666343.db2.gz QGKBXZMPPSLLGE-IXDOHACOSA-N 2 2 348.443 1.319 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NCc1c[nH+]c2n1CCCC2 ZINC000376715024 446671591 /nfs/dbraw/zinc/67/15/91/446671591.db2.gz IGXGFACOCIRPQY-UHFFFAOYSA-N 2 2 338.415 1.909 20 0 EDADLP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000423744810 446674803 /nfs/dbraw/zinc/67/48/03/446674803.db2.gz ONVSXVAGPKLHPZ-QGZVFWFLSA-N 2 2 344.484 1.747 20 0 EDADLP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000423744810 446674809 /nfs/dbraw/zinc/67/48/09/446674809.db2.gz ONVSXVAGPKLHPZ-QGZVFWFLSA-N 2 2 344.484 1.747 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423640755 446622151 /nfs/dbraw/zinc/62/21/51/446622151.db2.gz GGDHZFBUQULHAU-MSOLQXFVSA-N 2 2 335.492 1.335 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423640755 446622156 /nfs/dbraw/zinc/62/21/56/446622156.db2.gz GGDHZFBUQULHAU-MSOLQXFVSA-N 2 2 335.492 1.335 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418772172 446691462 /nfs/dbraw/zinc/69/14/62/446691462.db2.gz UNGUTZILJUZTPJ-LBPRGKRZSA-N 2 2 327.379 1.358 20 0 EDADLP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000423765449 446693130 /nfs/dbraw/zinc/69/31/30/446693130.db2.gz XENUOYPTGPOFAE-SFHVURJKSA-N 2 2 338.455 1.916 20 0 EDADLP CN([C@H](C(N)=O)c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371260157 446722114 /nfs/dbraw/zinc/72/21/14/446722114.db2.gz YDYYGAUPLUGZHB-MSOLQXFVSA-N 2 2 330.476 1.313 20 0 EDADLP CN([C@H](C(N)=O)c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371260157 446722122 /nfs/dbraw/zinc/72/21/22/446722122.db2.gz YDYYGAUPLUGZHB-MSOLQXFVSA-N 2 2 330.476 1.313 20 0 EDADLP C[N@H+]([C@H](C(N)=O)c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371260157 446722127 /nfs/dbraw/zinc/72/21/27/446722127.db2.gz YDYYGAUPLUGZHB-MSOLQXFVSA-N 2 2 330.476 1.313 20 0 EDADLP C[N@@H+]([C@H](C(N)=O)c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371260157 446722132 /nfs/dbraw/zinc/72/21/32/446722132.db2.gz YDYYGAUPLUGZHB-MSOLQXFVSA-N 2 2 330.476 1.313 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423835487 446723347 /nfs/dbraw/zinc/72/33/47/446723347.db2.gz VJCOPWUYFMTXTB-NUTKFTJISA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)C[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423835487 446723351 /nfs/dbraw/zinc/72/33/51/446723351.db2.gz VJCOPWUYFMTXTB-NUTKFTJISA-N 2 2 339.386 1.205 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]([NH+]3CCCC3)C1)CCC2 ZINC000371263410 446724328 /nfs/dbraw/zinc/72/43/28/446724328.db2.gz YHFSHOXCDJBJTN-JKSUJKDBSA-N 2 2 331.464 1.949 20 0 EDADLP CN(CC(=O)Nc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371304498 446758956 /nfs/dbraw/zinc/75/89/56/446758956.db2.gz IWWQHPKPIZYHIO-GOSISDBHSA-N 2 2 330.476 1.725 20 0 EDADLP CN(CC(=O)Nc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371304498 446758962 /nfs/dbraw/zinc/75/89/62/446758962.db2.gz IWWQHPKPIZYHIO-GOSISDBHSA-N 2 2 330.476 1.725 20 0 EDADLP C[N@H+](CC(=O)Nc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304498 446758967 /nfs/dbraw/zinc/75/89/67/446758967.db2.gz IWWQHPKPIZYHIO-GOSISDBHSA-N 2 2 330.476 1.725 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304498 446758970 /nfs/dbraw/zinc/75/89/70/446758970.db2.gz IWWQHPKPIZYHIO-GOSISDBHSA-N 2 2 330.476 1.725 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423914406 446763844 /nfs/dbraw/zinc/76/38/44/446763844.db2.gz AMFZKDYXHIQLFU-WBVHZDCISA-N 2 2 340.427 1.827 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000423929290 446780759 /nfs/dbraw/zinc/78/07/59/446780759.db2.gz MEEZNBXBIBYNTO-MNOVXSKESA-N 2 2 328.363 1.110 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H](C)C[NH3+] ZINC000423929995 446782156 /nfs/dbraw/zinc/78/21/56/446782156.db2.gz VBYXQYQYVGVVPN-WXHSDQCUSA-N 2 2 328.457 1.417 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H](C)C[NH3+] ZINC000423929995 446782162 /nfs/dbraw/zinc/78/21/62/446782162.db2.gz VBYXQYQYVGVVPN-WXHSDQCUSA-N 2 2 328.457 1.417 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000423933778 446785778 /nfs/dbraw/zinc/78/57/78/446785778.db2.gz XESJZPNBHKQAGT-CABCVRRESA-N 2 2 332.448 1.517 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000368323357 446786247 /nfs/dbraw/zinc/78/62/47/446786247.db2.gz YRMJVWNPEUBSHS-IDHHARJASA-N 2 2 342.443 1.298 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000368323357 446786255 /nfs/dbraw/zinc/78/62/55/446786255.db2.gz YRMJVWNPEUBSHS-IDHHARJASA-N 2 2 342.443 1.298 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368323357 446786266 /nfs/dbraw/zinc/78/62/66/446786266.db2.gz YRMJVWNPEUBSHS-IDHHARJASA-N 2 2 342.443 1.298 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000368323357 446786268 /nfs/dbraw/zinc/78/62/68/446786268.db2.gz YRMJVWNPEUBSHS-IDHHARJASA-N 2 2 342.443 1.298 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423934958 446787099 /nfs/dbraw/zinc/78/70/99/446787099.db2.gz XNLRFXXKTAGIBH-DKIMLUQUSA-N 2 2 333.476 1.890 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423934958 446787103 /nfs/dbraw/zinc/78/71/03/446787103.db2.gz XNLRFXXKTAGIBH-DKIMLUQUSA-N 2 2 333.476 1.890 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)C1 ZINC000375426688 446790953 /nfs/dbraw/zinc/79/09/53/446790953.db2.gz ODJVVEQRWGRWGG-INIZCTEOSA-N 2 2 330.480 1.293 20 0 EDADLP C[N@H+]1CCC[C@H](N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)C1 ZINC000375426688 446790958 /nfs/dbraw/zinc/79/09/58/446790958.db2.gz ODJVVEQRWGRWGG-INIZCTEOSA-N 2 2 330.480 1.293 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCc3nc(C)ncc3C2)CC1 ZINC000368257779 446741779 /nfs/dbraw/zinc/74/17/79/446741779.db2.gz CPYJCPVVNMAALP-QGZVFWFLSA-N 2 2 346.475 1.650 20 0 EDADLP CC(=O)Nc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000371418527 446840744 /nfs/dbraw/zinc/84/07/44/446840744.db2.gz DGXLQWHAGNZPBQ-GOSISDBHSA-N 2 2 330.476 1.857 20 0 EDADLP CC(=O)Nc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000371418527 446840748 /nfs/dbraw/zinc/84/07/48/446840748.db2.gz DGXLQWHAGNZPBQ-GOSISDBHSA-N 2 2 330.476 1.857 20 0 EDADLP Cc1nc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)nc(N(C)C)[nH+]1 ZINC000439099265 446807460 /nfs/dbraw/zinc/80/74/60/446807460.db2.gz NKOMGMFMQBPPKY-CYBMUJFWSA-N 2 2 341.463 2.279 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)CCCO)CC2)cc1 ZINC000440939672 446857327 /nfs/dbraw/zinc/85/73/27/446857327.db2.gz MCNBMRGDUPBQTC-UHFFFAOYSA-N 2 2 347.503 1.768 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CCCO)CC2)cc1 ZINC000440939672 446857334 /nfs/dbraw/zinc/85/73/34/446857334.db2.gz MCNBMRGDUPBQTC-UHFFFAOYSA-N 2 2 347.503 1.768 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000424449489 446872493 /nfs/dbraw/zinc/87/24/93/446872493.db2.gz SQIODCPPOMFDEO-RISCZKNCSA-N 2 2 327.388 1.411 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000420897082 446874355 /nfs/dbraw/zinc/87/43/55/446874355.db2.gz AFJFIHITWSEERG-QZTJIDSGSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000420897082 446874363 /nfs/dbraw/zinc/87/43/63/446874363.db2.gz AFJFIHITWSEERG-QZTJIDSGSA-N 2 2 347.503 1.406 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)[nH+]c1 ZINC000454542668 446906307 /nfs/dbraw/zinc/90/63/07/446906307.db2.gz WYQDTDXAIYDTHU-KBPBESRZSA-N 2 2 328.420 2.394 20 0 EDADLP O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420964583 446935041 /nfs/dbraw/zinc/93/50/41/446935041.db2.gz NULVWCCBCCJCHN-QZTJIDSGSA-N 2 2 329.444 1.229 20 0 EDADLP O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420964583 446935047 /nfs/dbraw/zinc/93/50/47/446935047.db2.gz NULVWCCBCCJCHN-QZTJIDSGSA-N 2 2 329.444 1.229 20 0 EDADLP CNC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420964635 446935581 /nfs/dbraw/zinc/93/55/81/446935581.db2.gz NYCLLGRNAZGTEC-IBGZPJMESA-N 2 2 331.460 1.477 20 0 EDADLP CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420964635 446935586 /nfs/dbraw/zinc/93/55/86/446935586.db2.gz NYCLLGRNAZGTEC-IBGZPJMESA-N 2 2 331.460 1.477 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)NC[C@@H]2CCCO2)[nH+]1 ZINC000368570450 446949164 /nfs/dbraw/zinc/94/91/64/446949164.db2.gz UPRQTQIPWPOBMP-HOTGVXAUSA-N 2 2 332.448 1.562 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NC[C@@H]2CCCO2)[nH+]1 ZINC000368570450 446949167 /nfs/dbraw/zinc/94/91/67/446949167.db2.gz UPRQTQIPWPOBMP-HOTGVXAUSA-N 2 2 332.448 1.562 20 0 EDADLP c1cc2c(s1)CC[N@@H+](CCNc1cc[nH+]c(N3CCOCC3)n1)C2 ZINC000371959139 446977556 /nfs/dbraw/zinc/97/75/56/446977556.db2.gz IQOMTODAJSRYLR-UHFFFAOYSA-N 2 2 345.472 1.845 20 0 EDADLP c1cc2c(s1)CC[N@H+](CCNc1cc[nH+]c(N3CCOCC3)n1)C2 ZINC000371959139 446977561 /nfs/dbraw/zinc/97/75/61/446977561.db2.gz IQOMTODAJSRYLR-UHFFFAOYSA-N 2 2 345.472 1.845 20 0 EDADLP COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000421029364 446998541 /nfs/dbraw/zinc/99/85/41/446998541.db2.gz ATRMJPWKNOHXKX-UHFFFAOYSA-N 2 2 347.459 1.442 20 0 EDADLP COc1ccc2c(c1)OC(C)(C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000421029364 446998548 /nfs/dbraw/zinc/99/85/48/446998548.db2.gz ATRMJPWKNOHXKX-UHFFFAOYSA-N 2 2 347.459 1.442 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000425149141 447032615 /nfs/dbraw/zinc/03/26/15/447032615.db2.gz QIJXVSBCSXYPSB-INIZCTEOSA-N 2 2 328.416 1.068 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000377279216 447036222 /nfs/dbraw/zinc/03/62/22/447036222.db2.gz GAIUSCUXRNCJDR-HNNXBMFYSA-N 2 2 335.452 1.328 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377292583 447044317 /nfs/dbraw/zinc/04/43/17/447044317.db2.gz LGVNLEBJYQPIIJ-INIZCTEOSA-N 2 2 349.479 1.472 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1c1ncc(Cl)c(N2CC[NH+](C)C[C@@H]2C)n1 ZINC000443445045 447052058 /nfs/dbraw/zinc/05/20/58/447052058.db2.gz IMXPMEKIJXQRDW-QWHCGFSZSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1c1ncc(Cl)c(N2CC[NH+](C)C[C@@H]2C)n1 ZINC000443445045 447052067 /nfs/dbraw/zinc/05/20/67/447052067.db2.gz IMXPMEKIJXQRDW-QWHCGFSZSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1c1ncc(Cl)c(N2CC[N@H+](C)C[C@@H]2C)n1 ZINC000443445045 447052076 /nfs/dbraw/zinc/05/20/76/447052076.db2.gz IMXPMEKIJXQRDW-QWHCGFSZSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1c1ncc(Cl)c(N2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000443445045 447052081 /nfs/dbraw/zinc/05/20/81/447052081.db2.gz IMXPMEKIJXQRDW-QWHCGFSZSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc2c1OCO2 ZINC000372415995 447055707 /nfs/dbraw/zinc/05/57/07/447055707.db2.gz LZOOEQNQDSFYJJ-DOTOQJQBSA-N 2 2 347.459 1.252 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc2c1OCO2 ZINC000372415995 447055712 /nfs/dbraw/zinc/05/57/12/447055712.db2.gz LZOOEQNQDSFYJJ-DOTOQJQBSA-N 2 2 347.459 1.252 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc2c1OCO2 ZINC000372415995 447055717 /nfs/dbraw/zinc/05/57/17/447055717.db2.gz LZOOEQNQDSFYJJ-DOTOQJQBSA-N 2 2 347.459 1.252 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc2c1OCO2 ZINC000372415995 447055724 /nfs/dbraw/zinc/05/57/24/447055724.db2.gz LZOOEQNQDSFYJJ-DOTOQJQBSA-N 2 2 347.459 1.252 20 0 EDADLP CN(C(=O)NCc1cccc(O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372487759 447083548 /nfs/dbraw/zinc/08/35/48/447083548.db2.gz STFQULZDGDFQQX-QGZVFWFLSA-N 2 2 346.475 1.702 20 0 EDADLP CN(C(=O)NCc1cccc(O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372487759 447083553 /nfs/dbraw/zinc/08/35/53/447083553.db2.gz STFQULZDGDFQQX-QGZVFWFLSA-N 2 2 346.475 1.702 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nn1 ZINC000377352913 447085641 /nfs/dbraw/zinc/08/56/41/447085641.db2.gz QYHGDCOGCRKOTK-WMLDXEAASA-N 2 2 331.468 1.765 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)nn1 ZINC000377352913 447085649 /nfs/dbraw/zinc/08/56/49/447085649.db2.gz QYHGDCOGCRKOTK-WMLDXEAASA-N 2 2 331.468 1.765 20 0 EDADLP Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000425271344 447089765 /nfs/dbraw/zinc/08/97/65/447089765.db2.gz CKCQYKPZTJDMFJ-DLBZAZTESA-N 2 2 338.459 1.957 20 0 EDADLP Cc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000425271344 447089769 /nfs/dbraw/zinc/08/97/69/447089769.db2.gz CKCQYKPZTJDMFJ-DLBZAZTESA-N 2 2 338.459 1.957 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)on1 ZINC000375888842 447124081 /nfs/dbraw/zinc/12/40/81/447124081.db2.gz IGODHWSIUZVOBA-OAHLLOKOSA-N 2 2 335.452 1.022 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)on1 ZINC000375888842 447124086 /nfs/dbraw/zinc/12/40/86/447124086.db2.gz IGODHWSIUZVOBA-OAHLLOKOSA-N 2 2 335.452 1.022 20 0 EDADLP CCCN1C[C@@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1=O ZINC000421357178 447140696 /nfs/dbraw/zinc/14/06/96/447140696.db2.gz ZPAFEINAFHWVIZ-QGZVFWFLSA-N 2 2 330.476 1.894 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NCCc2cn(C)c[nH+]2)cc[nH+]1 ZINC000413380622 447164927 /nfs/dbraw/zinc/16/49/27/447164927.db2.gz IZVUPPDQXBMDKX-RDJZCZTQSA-N 2 2 344.463 2.480 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000455441256 447131163 /nfs/dbraw/zinc/13/11/63/447131163.db2.gz MNZDVGNBEODHHO-WMZOPIPTSA-N 2 2 348.491 1.618 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ncccn3)C2)c1 ZINC000377523199 447178332 /nfs/dbraw/zinc/17/83/32/447178332.db2.gz FAQNUVPRUTUHMS-HUUCEWRRSA-N 2 2 340.431 1.941 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ncccn3)C2)c1 ZINC000377523199 447178340 /nfs/dbraw/zinc/17/83/40/447178340.db2.gz FAQNUVPRUTUHMS-HUUCEWRRSA-N 2 2 340.431 1.941 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CCN1C ZINC000455603540 447181643 /nfs/dbraw/zinc/18/16/43/447181643.db2.gz FOFXCQIUVOTDPX-MRXNPFEDSA-N 2 2 348.495 1.293 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CCN1C ZINC000455603540 447181652 /nfs/dbraw/zinc/18/16/52/447181652.db2.gz FOFXCQIUVOTDPX-MRXNPFEDSA-N 2 2 348.495 1.293 20 0 EDADLP Cc1cc(NC(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cn2cc[nH+]c12 ZINC000455615636 447184479 /nfs/dbraw/zinc/18/44/79/447184479.db2.gz FKTZCDIHSBVUJG-CQSZACIVSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1cc(NC(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cn2cc[nH+]c12 ZINC000455615636 447184481 /nfs/dbraw/zinc/18/44/81/447184481.db2.gz FKTZCDIHSBVUJG-CQSZACIVSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)s1 ZINC000375955755 447172879 /nfs/dbraw/zinc/17/28/79/447172879.db2.gz SQNSIGWNGGQBHI-HZPDHXFCSA-N 2 2 348.516 1.970 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)s1 ZINC000375955755 447172885 /nfs/dbraw/zinc/17/28/85/447172885.db2.gz SQNSIGWNGGQBHI-HZPDHXFCSA-N 2 2 348.516 1.970 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368954045 447223275 /nfs/dbraw/zinc/22/32/75/447223275.db2.gz CLTQALULYVGVPB-RYUDHWBXSA-N 2 2 345.369 1.871 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368954045 447223282 /nfs/dbraw/zinc/22/32/82/447223282.db2.gz CLTQALULYVGVPB-RYUDHWBXSA-N 2 2 345.369 1.871 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)cc1F ZINC000377583137 447223622 /nfs/dbraw/zinc/22/36/22/447223622.db2.gz PKDDMEBUFOOYPU-GDBMZVCRSA-N 2 2 349.450 1.867 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H](O)Cn3cccn3)[C@H](C)C2)s1 ZINC000368963552 447229199 /nfs/dbraw/zinc/22/91/99/447229199.db2.gz BRMZTKVLMURUAG-UNEWFSDZSA-N 2 2 349.504 1.509 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@@H](O)Cn3cccn3)[C@H](C)C2)s1 ZINC000368963552 447229205 /nfs/dbraw/zinc/22/92/05/447229205.db2.gz BRMZTKVLMURUAG-UNEWFSDZSA-N 2 2 349.504 1.509 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C(C)(F)F ZINC000455777147 447229248 /nfs/dbraw/zinc/22/92/48/447229248.db2.gz GMDLOKCXUTUBCW-QWHCGFSZSA-N 2 2 332.439 1.840 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C(C)(F)F ZINC000455777147 447229250 /nfs/dbraw/zinc/22/92/50/447229250.db2.gz GMDLOKCXUTUBCW-QWHCGFSZSA-N 2 2 332.439 1.840 20 0 EDADLP COc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372778211 447282432 /nfs/dbraw/zinc/28/24/32/447282432.db2.gz BALOSISBIYXFLQ-SJORKVTESA-N 2 2 333.476 1.752 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000372819570 447301079 /nfs/dbraw/zinc/30/10/79/447301079.db2.gz AFAIWZBDQRZEEM-UONOGXRCSA-N 2 2 328.420 1.312 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000458813798 447481913 /nfs/dbraw/zinc/48/19/13/447481913.db2.gz PHKNHGYEHFRQMW-INIZCTEOSA-N 2 2 348.447 1.487 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426869046 447509872 /nfs/dbraw/zinc/50/98/72/447509872.db2.gz NFFCDBBYTQSSAL-MAUKXSAKSA-N 2 2 328.460 1.914 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426869046 447509877 /nfs/dbraw/zinc/50/98/77/447509877.db2.gz NFFCDBBYTQSSAL-MAUKXSAKSA-N 2 2 328.460 1.914 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000427298175 447577437 /nfs/dbraw/zinc/57/74/37/447577437.db2.gz ACQYHBYUXSCROS-AEFFLSMTSA-N 2 2 331.460 1.484 20 0 EDADLP COCCOc1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)OCO2 ZINC000427112064 447546706 /nfs/dbraw/zinc/54/67/06/447546706.db2.gz YOOITTNIIPVIJO-HIFRSBDPSA-N 2 2 334.416 1.624 20 0 EDADLP COCCOc1cc2c(cc1C[N@H+]1CC[C@@H]3[NH2+]CC[C@@H]3C1)OCO2 ZINC000427112064 447546713 /nfs/dbraw/zinc/54/67/13/447546713.db2.gz YOOITTNIIPVIJO-HIFRSBDPSA-N 2 2 334.416 1.624 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427123407 447548424 /nfs/dbraw/zinc/54/84/24/447548424.db2.gz JDUDKXGITALTEJ-WBVHZDCISA-N 2 2 334.464 1.635 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427123407 447548432 /nfs/dbraw/zinc/54/84/32/447548432.db2.gz JDUDKXGITALTEJ-WBVHZDCISA-N 2 2 334.464 1.635 20 0 EDADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CN1C(=O)OC(C)(C)C ZINC000399094373 447561688 /nfs/dbraw/zinc/56/16/88/447561688.db2.gz UXQSONJAPLEYAH-OWCLPIDISA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CN1C(=O)OC(C)(C)C ZINC000399094373 447561694 /nfs/dbraw/zinc/56/16/94/447561694.db2.gz UXQSONJAPLEYAH-OWCLPIDISA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@H]1CN(C(=O)N[C@H](C)c2[nH+]ccn2CC)CC[N@@H+]1CCOC ZINC000459073002 447562445 /nfs/dbraw/zinc/56/24/45/447562445.db2.gz ZHPMQGUYOKRIFY-CABCVRRESA-N 2 2 337.468 1.716 20 0 EDADLP CC[C@H]1CN(C(=O)N[C@H](C)c2[nH+]ccn2CC)CC[N@H+]1CCOC ZINC000459073002 447562447 /nfs/dbraw/zinc/56/24/47/447562447.db2.gz ZHPMQGUYOKRIFY-CABCVRRESA-N 2 2 337.468 1.716 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CCc2cscn2)CC1 ZINC000450994185 447645632 /nfs/dbraw/zinc/64/56/32/447645632.db2.gz RBZIDHFVQYQJIE-UHFFFAOYSA-N 2 2 327.494 1.745 20 0 EDADLP CC1CCC(NC(=O)CN2CC[NH+](CCc3c[nH+]cn3C)CC2)CC1 ZINC000459370477 447647117 /nfs/dbraw/zinc/64/71/17/447647117.db2.gz OUQLVFPGZWRZPH-UHFFFAOYSA-N 2 2 347.507 1.275 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416885285 447701244 /nfs/dbraw/zinc/70/12/44/447701244.db2.gz FGDVRNNMVYJEEN-SFHVURJKSA-N 2 2 346.475 1.501 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[NH2+]CC1)c1cccc(F)c1 ZINC000416908980 447705439 /nfs/dbraw/zinc/70/54/39/447705439.db2.gz KBMWFMDUVARNQC-HNNXBMFYSA-N 2 2 331.395 1.654 20 0 EDADLP COc1ncc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)c(C)n1 ZINC000451027824 447655425 /nfs/dbraw/zinc/65/54/25/447655425.db2.gz XLWHEDMVMUQPBV-HNNXBMFYSA-N 2 2 343.431 1.908 20 0 EDADLP COc1ncc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)c(C)n1 ZINC000451027824 447655431 /nfs/dbraw/zinc/65/54/31/447655431.db2.gz XLWHEDMVMUQPBV-HNNXBMFYSA-N 2 2 343.431 1.908 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc(C)[nH+]1 ZINC000422589470 447657898 /nfs/dbraw/zinc/65/78/98/447657898.db2.gz MTAIVQQXXBQNCY-MRXNPFEDSA-N 2 2 344.459 1.259 20 0 EDADLP CCn1nncc1C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000459423111 447661104 /nfs/dbraw/zinc/66/11/04/447661104.db2.gz YULINEZBSQRPFQ-MAUKXSAKSA-N 2 2 345.495 1.937 20 0 EDADLP CCn1nncc1C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000459423111 447661110 /nfs/dbraw/zinc/66/11/10/447661110.db2.gz YULINEZBSQRPFQ-MAUKXSAKSA-N 2 2 345.495 1.937 20 0 EDADLP CCn1nncc1C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000459423111 447661115 /nfs/dbraw/zinc/66/11/15/447661115.db2.gz YULINEZBSQRPFQ-MAUKXSAKSA-N 2 2 345.495 1.937 20 0 EDADLP CCn1nncc1C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000459423111 447661121 /nfs/dbraw/zinc/66/11/21/447661121.db2.gz YULINEZBSQRPFQ-MAUKXSAKSA-N 2 2 345.495 1.937 20 0 EDADLP CC[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422697163 447718818 /nfs/dbraw/zinc/71/88/18/447718818.db2.gz UBRBETZFKHOWDS-SJORKVTESA-N 2 2 332.496 1.109 20 0 EDADLP CCNC(=O)COc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422711049 447722923 /nfs/dbraw/zinc/72/29/23/447722923.db2.gz MTKZCLDPKRYDQY-MJGOQNOKSA-N 2 2 347.459 1.058 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416955365 447726333 /nfs/dbraw/zinc/72/63/33/447726333.db2.gz MKFBPQDUWQHRCT-RDJZCZTQSA-N 2 2 341.459 1.771 20 0 EDADLP CC[N@H+](CC(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000422740774 447735398 /nfs/dbraw/zinc/73/53/98/447735398.db2.gz NEEAWXCDWDDCSF-UHFFFAOYSA-N 2 2 338.883 1.183 20 0 EDADLP CC[N@@H+](CC(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000422740774 447735404 /nfs/dbraw/zinc/73/54/04/447735404.db2.gz NEEAWXCDWDDCSF-UHFFFAOYSA-N 2 2 338.883 1.183 20 0 EDADLP COc1ccc([C@@H](C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)N2CCOCC2)cc1 ZINC000422756540 447740474 /nfs/dbraw/zinc/74/04/74/447740474.db2.gz IZQNVIWCKWUAOV-ATZDWAIDSA-N 2 2 333.476 1.799 20 0 EDADLP CCC(CC)[C@H](C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000422821411 447759580 /nfs/dbraw/zinc/75/95/80/447759580.db2.gz WAHIGVGOVXHOHA-SZMVWBNQSA-N 2 2 327.513 1.480 20 0 EDADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccnc1N1CCOCC1 ZINC000422826402 447761636 /nfs/dbraw/zinc/76/16/36/447761636.db2.gz LHEAQQQSCBIPKH-VQIMIIECSA-N 2 2 340.471 1.966 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416919793 447709879 /nfs/dbraw/zinc/70/98/79/447709879.db2.gz QYOLHNUHRPGIIF-YOEHRIQHSA-N 2 2 327.432 1.871 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000422844036 447767044 /nfs/dbraw/zinc/76/70/44/447767044.db2.gz KQGWZFNOOZWIGD-CVEARBPZSA-N 2 2 327.538 1.705 20 0 EDADLP COc1ccccc1N1CC[C@H](C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000422850679 447769881 /nfs/dbraw/zinc/76/98/81/447769881.db2.gz NZNIJHAZULWRNN-BRWVUGGUSA-N 2 2 333.476 1.878 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)COc1ccccc1Br)[C@H]1CCC[NH2+]1 ZINC000422938921 447776595 /nfs/dbraw/zinc/77/65/95/447776595.db2.gz LITFCKSQHLLSDV-MBNYWOFBSA-N 2 2 343.265 1.919 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000430558679 447778841 /nfs/dbraw/zinc/77/88/41/447778841.db2.gz QRYWRYWPKLAFEW-OAHLLOKOSA-N 2 2 337.464 1.625 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000430558679 447778845 /nfs/dbraw/zinc/77/88/45/447778845.db2.gz QRYWRYWPKLAFEW-OAHLLOKOSA-N 2 2 337.464 1.625 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)CC(C)(C)C[NH3+] ZINC000430563178 447779709 /nfs/dbraw/zinc/77/97/09/447779709.db2.gz ICRVGDXRQWJDIC-UHFFFAOYSA-N 2 2 329.347 1.863 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)CC(C)(C)C[NH3+] ZINC000430563178 447779712 /nfs/dbraw/zinc/77/97/12/447779712.db2.gz ICRVGDXRQWJDIC-UHFFFAOYSA-N 2 2 329.347 1.863 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)c1 ZINC000430565355 447780665 /nfs/dbraw/zinc/78/06/65/447780665.db2.gz FLZAZMSOOFUBKH-XIKOKIGWSA-N 2 2 335.448 1.598 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)[NH+]1CCSCC1 ZINC000430712725 447784365 /nfs/dbraw/zinc/78/43/65/447784365.db2.gz IELXCLKETGLBGU-HUUCEWRRSA-N 2 2 348.516 1.973 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000460028923 447787792 /nfs/dbraw/zinc/78/77/92/447787792.db2.gz RJKUKFOLXDEFPT-LSDHHAIUSA-N 2 2 347.463 1.058 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000460028923 447787794 /nfs/dbraw/zinc/78/77/94/447787794.db2.gz RJKUKFOLXDEFPT-LSDHHAIUSA-N 2 2 347.463 1.058 20 0 EDADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccc(F)c(F)c1 ZINC000423078278 447800290 /nfs/dbraw/zinc/80/02/90/447800290.db2.gz OALVCSYSICOJJR-KKXDTOCCSA-N 2 2 340.414 1.472 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncnn1CC(F)F ZINC000488121564 447842504 /nfs/dbraw/zinc/84/25/04/447842504.db2.gz GDMIEAUOZXPDQE-UHFFFAOYSA-N 2 2 330.427 1.001 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncnn1CC(F)F ZINC000488121564 447842506 /nfs/dbraw/zinc/84/25/06/447842506.db2.gz GDMIEAUOZXPDQE-UHFFFAOYSA-N 2 2 330.427 1.001 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)OC3CCOCC3)CC2)CC1 ZINC000496751783 447882173 /nfs/dbraw/zinc/88/21/73/447882173.db2.gz IKQCTYGRGITSOQ-UHFFFAOYSA-N 2 2 339.480 1.794 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)OC3CCOCC3)CC2)CC1 ZINC000496751783 447882174 /nfs/dbraw/zinc/88/21/74/447882174.db2.gz IKQCTYGRGITSOQ-UHFFFAOYSA-N 2 2 339.480 1.794 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523397115 447884074 /nfs/dbraw/zinc/88/40/74/447884074.db2.gz VZCGPMXWNMVNEU-HNNXBMFYSA-N 2 2 340.431 1.753 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cn2ccccc2n1 ZINC000570060199 447940838 /nfs/dbraw/zinc/94/08/38/447940838.db2.gz RLZFZVRKTMILPS-DOTOQJQBSA-N 2 2 343.475 1.928 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cn2ccccc2n1 ZINC000570060199 447940843 /nfs/dbraw/zinc/94/08/43/447940843.db2.gz RLZFZVRKTMILPS-DOTOQJQBSA-N 2 2 343.475 1.928 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NCC3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000575980513 447941761 /nfs/dbraw/zinc/94/17/61/447941761.db2.gz BDDRJPWJXVLSPY-MRXNPFEDSA-N 2 2 345.491 1.972 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NCC3CC[NH+](C4CC4)CC3)[nH+]cn2)C1 ZINC000575980513 447941774 /nfs/dbraw/zinc/94/17/74/447941774.db2.gz BDDRJPWJXVLSPY-MRXNPFEDSA-N 2 2 345.491 1.972 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000530816166 447964233 /nfs/dbraw/zinc/96/42/33/447964233.db2.gz VVBSHUFENGDQDW-MRXNPFEDSA-N 2 2 331.460 1.590 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000530816166 447964238 /nfs/dbraw/zinc/96/42/38/447964238.db2.gz VVBSHUFENGDQDW-MRXNPFEDSA-N 2 2 331.460 1.590 20 0 EDADLP CC(C)(C)OC(=O)N1CC[NH+](CCN2CC[NH+](C3CC3)CC2)CC1 ZINC000497197584 447948866 /nfs/dbraw/zinc/94/88/66/447948866.db2.gz SRLSGJFQUKYHRI-UHFFFAOYSA-N 2 2 338.496 1.319 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC([NH3+])C1 ZINC000575872786 447919328 /nfs/dbraw/zinc/91/93/28/447919328.db2.gz YZFBAOXUKICHQS-UHFFFAOYSA-N 3 2 348.516 1.595 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC([NH3+])C1 ZINC000575872786 447919331 /nfs/dbraw/zinc/91/93/31/447919331.db2.gz YZFBAOXUKICHQS-UHFFFAOYSA-N 3 2 348.516 1.595 20 0 EDADLP CCCN(C(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000569944783 447924933 /nfs/dbraw/zinc/92/49/33/447924933.db2.gz HNVLHOIYYUEHGJ-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[NH+]1CC(C)C1 ZINC000553382562 447987932 /nfs/dbraw/zinc/98/79/32/447987932.db2.gz UAUPIAKESOJKDF-MRXNPFEDSA-N 2 2 330.476 1.713 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000525306083 447993143 /nfs/dbraw/zinc/99/31/43/447993143.db2.gz VJYRZDYAFRCHFP-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3COCC3(C)C)CC2)CC1 ZINC000576201354 447995679 /nfs/dbraw/zinc/99/56/79/447995679.db2.gz BYXZASOLMNFJEM-MRXNPFEDSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC[N@H+]1C ZINC000525808057 448029958 /nfs/dbraw/zinc/02/99/58/448029958.db2.gz KQHBLFDKHTVUKH-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP O[C@H](C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)COC1CCOCC1 ZINC000570675932 448046256 /nfs/dbraw/zinc/04/62/56/448046256.db2.gz UZSNGFHEBPAGSM-GOSISDBHSA-N 2 2 345.443 1.578 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000571058424 448102783 /nfs/dbraw/zinc/10/27/83/448102783.db2.gz VWEUIABGGPKALY-MRXNPFEDSA-N 2 2 342.443 1.925 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000571058424 448102790 /nfs/dbraw/zinc/10/27/90/448102790.db2.gz VWEUIABGGPKALY-MRXNPFEDSA-N 2 2 342.443 1.925 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2(c3ccccc3)CCOCC2)[C@@H](C[NH3+])C1 ZINC000571183399 448120511 /nfs/dbraw/zinc/12/05/11/448120511.db2.gz XKQIFJXAVANTHP-KRWDZBQOSA-N 2 2 346.475 1.019 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3ccccc3)CCOCC2)[C@@H](C[NH3+])C1 ZINC000571183399 448120514 /nfs/dbraw/zinc/12/05/14/448120514.db2.gz XKQIFJXAVANTHP-KRWDZBQOSA-N 2 2 346.475 1.019 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)C2 ZINC000526997231 448134874 /nfs/dbraw/zinc/13/48/74/448134874.db2.gz OVYXZAQOZROAHA-UONOGXRCSA-N 2 2 334.464 1.427 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)CC2 ZINC000526997231 448134880 /nfs/dbraw/zinc/13/48/80/448134880.db2.gz OVYXZAQOZROAHA-UONOGXRCSA-N 2 2 334.464 1.427 20 0 EDADLP COC(=O)c1cccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000576784561 448137680 /nfs/dbraw/zinc/13/76/80/448137680.db2.gz LXDOSKHNRNKYBA-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP COC(=O)c1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000576784561 448137687 /nfs/dbraw/zinc/13/76/87/448137687.db2.gz LXDOSKHNRNKYBA-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP COC(=O)c1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000576784561 448137693 /nfs/dbraw/zinc/13/76/93/448137693.db2.gz LXDOSKHNRNKYBA-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCc3nccnc3C)c2cc1C ZINC000571396521 448145910 /nfs/dbraw/zinc/14/59/10/448145910.db2.gz GNHBTQMWXLFXAH-INIZCTEOSA-N 2 2 339.443 1.945 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000571611025 448176378 /nfs/dbraw/zinc/17/63/78/448176378.db2.gz CHWGRNTZVCMRCC-HOTGVXAUSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000571611025 448176383 /nfs/dbraw/zinc/17/63/83/448176383.db2.gz CHWGRNTZVCMRCC-HOTGVXAUSA-N 2 2 339.528 1.042 20 0 EDADLP Cn1c(NCc2cc[nH+]c(N3CCOCC3)c2)[nH+]c2cccc(F)c21 ZINC000559806808 448211691 /nfs/dbraw/zinc/21/16/91/448211691.db2.gz MCTGCKRVICDPQC-UHFFFAOYSA-N 2 2 341.390 2.556 20 0 EDADLP CCn1nccc1/C=C\C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000492192004 448197178 /nfs/dbraw/zinc/19/71/78/448197178.db2.gz XAPVKBWQYBUGIB-SREVYHEPSA-N 2 2 333.480 1.401 20 0 EDADLP CCn1nccc1/C=C\C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000492192004 448197184 /nfs/dbraw/zinc/19/71/84/448197184.db2.gz XAPVKBWQYBUGIB-SREVYHEPSA-N 2 2 333.480 1.401 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000514739495 448197741 /nfs/dbraw/zinc/19/77/41/448197741.db2.gz QZXPSVBLMQIXPU-ROUUACIJSA-N 3 2 330.476 1.434 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000514596241 448168279 /nfs/dbraw/zinc/16/82/79/448168279.db2.gz NRDRBKJLEZHWEM-WYUUTHIRSA-N 2 2 325.482 1.651 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000514944328 448230466 /nfs/dbraw/zinc/23/04/66/448230466.db2.gz PAEIXILFMYKLDU-HZPDHXFCSA-N 2 2 333.476 1.953 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC(=O)NCc1cccs1 ZINC000514863380 448216844 /nfs/dbraw/zinc/21/68/44/448216844.db2.gz UITSOEQPZIHWPG-MRXNPFEDSA-N 2 2 336.461 1.149 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC(=O)NCc1cccs1 ZINC000514863380 448216849 /nfs/dbraw/zinc/21/68/49/448216849.db2.gz UITSOEQPZIHWPG-MRXNPFEDSA-N 2 2 336.461 1.149 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)C2 ZINC000571870832 448221998 /nfs/dbraw/zinc/22/19/98/448221998.db2.gz LAVQXFYOICNMLE-HUUCEWRRSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)C2 ZINC000571870832 448221999 /nfs/dbraw/zinc/22/19/99/448221999.db2.gz LAVQXFYOICNMLE-HUUCEWRRSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)CC2 ZINC000571870832 448222000 /nfs/dbraw/zinc/22/20/00/448222000.db2.gz LAVQXFYOICNMLE-HUUCEWRRSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)CC2 ZINC000571870832 448222001 /nfs/dbraw/zinc/22/20/01/448222001.db2.gz LAVQXFYOICNMLE-HUUCEWRRSA-N 2 2 348.491 1.601 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000582460226 448242227 /nfs/dbraw/zinc/24/22/27/448242227.db2.gz DCYOFPXMQBJLSN-HNNXBMFYSA-N 2 2 339.443 1.793 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000582460226 448242232 /nfs/dbraw/zinc/24/22/32/448242232.db2.gz DCYOFPXMQBJLSN-HNNXBMFYSA-N 2 2 339.443 1.793 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000582460226 448242234 /nfs/dbraw/zinc/24/22/34/448242234.db2.gz DCYOFPXMQBJLSN-HNNXBMFYSA-N 2 2 339.443 1.793 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000582460226 448242238 /nfs/dbraw/zinc/24/22/38/448242238.db2.gz DCYOFPXMQBJLSN-HNNXBMFYSA-N 2 2 339.443 1.793 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CCN2C1=O ZINC000515171124 448268334 /nfs/dbraw/zinc/26/83/34/448268334.db2.gz HHOWPFVYMXOQCQ-DOMZBBRYSA-N 2 2 330.819 1.632 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CCN2C1=O ZINC000515171124 448268337 /nfs/dbraw/zinc/26/83/37/448268337.db2.gz HHOWPFVYMXOQCQ-DOMZBBRYSA-N 2 2 330.819 1.632 20 0 EDADLP CCN(C(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000515178085 448269808 /nfs/dbraw/zinc/26/98/08/448269808.db2.gz FTTUIFOZUWHMGF-OAHLLOKOSA-N 2 2 327.432 1.973 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC[C@@H]21 ZINC000532526526 448270782 /nfs/dbraw/zinc/27/07/82/448270782.db2.gz BSAQWFQCDRLAIT-ZFWWWQNUSA-N 2 2 326.404 1.219 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC[C@@H]21 ZINC000532526526 448270787 /nfs/dbraw/zinc/27/07/87/448270787.db2.gz BSAQWFQCDRLAIT-ZFWWWQNUSA-N 2 2 326.404 1.219 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@@H](C[NH3+])C1 ZINC000515460949 448316374 /nfs/dbraw/zinc/31/63/74/448316374.db2.gz YFAWOWOQYQLEAD-BPUTZDHNSA-N 2 2 336.867 1.870 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@@H](C[NH3+])C1 ZINC000515460949 448316382 /nfs/dbraw/zinc/31/63/82/448316382.db2.gz YFAWOWOQYQLEAD-BPUTZDHNSA-N 2 2 336.867 1.870 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C[C@@H]21 ZINC000582588862 448281057 /nfs/dbraw/zinc/28/10/57/448281057.db2.gz WQPHWSYRMLLVDH-PBHICJAKSA-N 2 2 343.406 1.857 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C[C@@H]21 ZINC000582588862 448281065 /nfs/dbraw/zinc/28/10/65/448281065.db2.gz WQPHWSYRMLLVDH-PBHICJAKSA-N 2 2 343.406 1.857 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000572098680 448284645 /nfs/dbraw/zinc/28/46/45/448284645.db2.gz ZVUUFHNANCSUGK-HNNXBMFYSA-N 2 2 330.432 1.642 20 0 EDADLP O[C@H](C[NH2+]CC1([NH+]2CCSCC2)CCCCC1)Cn1cccn1 ZINC000577622613 448344809 /nfs/dbraw/zinc/34/48/09/448344809.db2.gz IEHSNJNQHVYBCN-MRXNPFEDSA-N 2 2 338.521 1.585 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nc[nH+]1 ZINC000577719252 448367741 /nfs/dbraw/zinc/36/77/41/448367741.db2.gz SJGVDLMZXFBTGS-KGLIPLIRSA-N 2 2 342.447 1.796 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000572401043 448370239 /nfs/dbraw/zinc/37/02/39/448370239.db2.gz PUCMGWLSCARPJJ-BQFCYCMXSA-N 2 2 348.491 1.793 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000515619272 448335027 /nfs/dbraw/zinc/33/50/27/448335027.db2.gz LUECMZQSWQBKRI-SJLPKXTDSA-N 2 2 346.475 1.359 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC(C)(C)C ZINC000591579069 448394688 /nfs/dbraw/zinc/39/46/88/448394688.db2.gz MQMIVFYJWYDBMH-UHFFFAOYSA-N 2 2 328.501 1.469 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOC(C)(C)C ZINC000591579069 448394690 /nfs/dbraw/zinc/39/46/90/448394690.db2.gz MQMIVFYJWYDBMH-UHFFFAOYSA-N 2 2 328.501 1.469 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000527953424 448396831 /nfs/dbraw/zinc/39/68/31/448396831.db2.gz QHUDFLPQZPTFOO-AWEZNQCLSA-N 2 2 347.463 1.163 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000527953424 448396834 /nfs/dbraw/zinc/39/68/34/448396834.db2.gz QHUDFLPQZPTFOO-AWEZNQCLSA-N 2 2 347.463 1.163 20 0 EDADLP CCn1cc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cn1 ZINC000577838015 448397444 /nfs/dbraw/zinc/39/74/44/448397444.db2.gz AYDXHAWKTMQDTQ-UHFFFAOYSA-N 2 2 348.495 1.927 20 0 EDADLP CCn1cc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cn1 ZINC000577838015 448397449 /nfs/dbraw/zinc/39/74/49/448397449.db2.gz AYDXHAWKTMQDTQ-UHFFFAOYSA-N 2 2 348.495 1.927 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC[C@@H]2CCc3ccccc3N2)C[C@H](C)O1 ZINC000577859627 448405113 /nfs/dbraw/zinc/40/51/13/448405113.db2.gz FQBVBUHUUQNFGE-OGWHTMIXSA-N 2 2 347.503 1.863 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC[C@@H]2CCc3ccccc3N2)C[C@H](C)O1 ZINC000577859627 448405117 /nfs/dbraw/zinc/40/51/17/448405117.db2.gz FQBVBUHUUQNFGE-OGWHTMIXSA-N 2 2 347.503 1.863 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000533485837 448410317 /nfs/dbraw/zinc/41/03/17/448410317.db2.gz RYNTVTYEYXMJFC-SJORKVTESA-N 2 2 339.528 1.042 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000533485837 448410322 /nfs/dbraw/zinc/41/03/22/448410322.db2.gz RYNTVTYEYXMJFC-SJORKVTESA-N 2 2 339.528 1.042 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000533485837 448410326 /nfs/dbraw/zinc/41/03/26/448410326.db2.gz RYNTVTYEYXMJFC-SJORKVTESA-N 2 2 339.528 1.042 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000533485837 448410331 /nfs/dbraw/zinc/41/03/31/448410331.db2.gz RYNTVTYEYXMJFC-SJORKVTESA-N 2 2 339.528 1.042 20 0 EDADLP Cc1[nH+]ccc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)c1Cl ZINC000528132521 448440806 /nfs/dbraw/zinc/44/08/06/448440806.db2.gz SVUAPYNEXCJSGX-MRXNPFEDSA-N 2 2 325.840 1.493 20 0 EDADLP Cc1[nH+]ccc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)c1Cl ZINC000528132521 448440811 /nfs/dbraw/zinc/44/08/11/448440811.db2.gz SVUAPYNEXCJSGX-MRXNPFEDSA-N 2 2 325.840 1.493 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN(C)CC1 ZINC000578024234 448443380 /nfs/dbraw/zinc/44/33/80/448443380.db2.gz RHQDGNVETHUMRW-MJGOQNOKSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN(C)CC1 ZINC000578024234 448443384 /nfs/dbraw/zinc/44/33/84/448443384.db2.gz RHQDGNVETHUMRW-MJGOQNOKSA-N 2 2 344.503 1.261 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)[N@H+](C)C1 ZINC000583619123 448449718 /nfs/dbraw/zinc/44/97/18/448449718.db2.gz MDWZHZJIXNYMDK-IRXDYDNUSA-N 2 2 346.475 1.797 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)[N@@H+](C)C1 ZINC000583619123 448449723 /nfs/dbraw/zinc/44/97/23/448449723.db2.gz MDWZHZJIXNYMDK-IRXDYDNUSA-N 2 2 346.475 1.797 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000534434453 448451571 /nfs/dbraw/zinc/45/15/71/448451571.db2.gz HIZYKDPREVICGM-CABCVRRESA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000534434453 448451576 /nfs/dbraw/zinc/45/15/76/448451576.db2.gz HIZYKDPREVICGM-CABCVRRESA-N 2 2 331.464 1.936 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000578132647 448468784 /nfs/dbraw/zinc/46/87/84/448468784.db2.gz PRUHECCWAWAQFT-KBPBESRZSA-N 2 2 335.448 1.552 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000578132647 448468789 /nfs/dbraw/zinc/46/87/89/448468789.db2.gz PRUHECCWAWAQFT-KBPBESRZSA-N 2 2 335.448 1.552 20 0 EDADLP CC1CC[NH+](CC(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000572905097 448493537 /nfs/dbraw/zinc/49/35/37/448493537.db2.gz ROTJNZISFSIOKP-UHFFFAOYSA-N 2 2 326.444 2.495 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000566444686 448473206 /nfs/dbraw/zinc/47/32/06/448473206.db2.gz JQWXSIFSCPMAOA-GFCCVEGCSA-N 2 2 329.404 1.727 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000566444686 448473207 /nfs/dbraw/zinc/47/32/07/448473207.db2.gz JQWXSIFSCPMAOA-GFCCVEGCSA-N 2 2 329.404 1.727 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000578300018 448508857 /nfs/dbraw/zinc/50/88/57/448508857.db2.gz KQTPOBVGYVRDEU-MRXNPFEDSA-N 2 2 331.464 1.645 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000578300018 448508862 /nfs/dbraw/zinc/50/88/62/448508862.db2.gz KQTPOBVGYVRDEU-MRXNPFEDSA-N 2 2 331.464 1.645 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCN2C1=O ZINC000516980966 448516062 /nfs/dbraw/zinc/51/60/62/448516062.db2.gz FLMOAFUPWQFYNM-ZFWWWQNUSA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCN2C1=O ZINC000516980966 448516067 /nfs/dbraw/zinc/51/60/67/448516067.db2.gz FLMOAFUPWQFYNM-ZFWWWQNUSA-N 2 2 346.818 1.739 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)C1 ZINC000528419623 448521549 /nfs/dbraw/zinc/52/15/49/448521549.db2.gz ZLCMTZCKFMPDHI-MOPGFXCFSA-N 2 2 348.535 1.632 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)C1 ZINC000528419623 448521554 /nfs/dbraw/zinc/52/15/54/448521554.db2.gz ZLCMTZCKFMPDHI-MOPGFXCFSA-N 2 2 348.535 1.632 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000517039257 448529556 /nfs/dbraw/zinc/52/95/56/448529556.db2.gz WGYWRNLTBBODCW-HNNXBMFYSA-N 2 2 341.459 1.974 20 0 EDADLP C[N@H+]1CCN(C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000516930463 448500271 /nfs/dbraw/zinc/50/02/71/448500271.db2.gz PHYAMTWTMWKMAG-GOSISDBHSA-N 2 2 330.476 1.636 20 0 EDADLP CN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000584458945 448533268 /nfs/dbraw/zinc/53/32/68/448533268.db2.gz DYUZRDCUCGHXAT-GOSISDBHSA-N 2 2 346.475 1.281 20 0 EDADLP CN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC[NH2+]CC1 ZINC000584458945 448533271 /nfs/dbraw/zinc/53/32/71/448533271.db2.gz DYUZRDCUCGHXAT-GOSISDBHSA-N 2 2 346.475 1.281 20 0 EDADLP COc1cccc(C2(C[NH2+]C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000566792925 448560283 /nfs/dbraw/zinc/56/02/83/448560283.db2.gz ZVAXFAHWINEFLM-JZXOWHBKSA-N 2 2 348.487 1.787 20 0 EDADLP COc1cccc(C2(C[NH2+]C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000566792925 448560290 /nfs/dbraw/zinc/56/02/90/448560290.db2.gz ZVAXFAHWINEFLM-JZXOWHBKSA-N 2 2 348.487 1.787 20 0 EDADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567146969 448624061 /nfs/dbraw/zinc/62/40/61/448624061.db2.gz DIYWAPUGLPHTEQ-UKRRQHHQSA-N 2 2 334.464 1.886 20 0 EDADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567146969 448624066 /nfs/dbraw/zinc/62/40/66/448624066.db2.gz DIYWAPUGLPHTEQ-UKRRQHHQSA-N 2 2 334.464 1.886 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000528673747 448624455 /nfs/dbraw/zinc/62/44/55/448624455.db2.gz TUJGXJDITQRCDB-GJZGRUSLSA-N 2 2 349.475 1.907 20 0 EDADLP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000528710428 448639652 /nfs/dbraw/zinc/63/96/52/448639652.db2.gz IUGZDYNNVSTUNE-CQSZACIVSA-N 2 2 327.388 1.502 20 0 EDADLP Clc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(-n2cncn2)c1 ZINC000518394182 448674538 /nfs/dbraw/zinc/67/45/38/448674538.db2.gz OHHLSHSKXMTXEU-UHFFFAOYSA-N 2 2 343.822 1.966 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)c[nH+]c1N1CCCC[C@H]1C ZINC000528685489 448629868 /nfs/dbraw/zinc/62/98/68/448629868.db2.gz HSBXIXDPOSGDNQ-GDBMZVCRSA-N 2 2 347.463 1.879 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000578983951 448685023 /nfs/dbraw/zinc/68/50/23/448685023.db2.gz ASUNRICSDNWPJX-UXLLHSPISA-N 2 2 334.464 1.485 20 0 EDADLP C[NH+]1CCN(CCCCNC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000573687439 448690683 /nfs/dbraw/zinc/69/06/83/448690683.db2.gz HVUQIPGOCLOYKA-SFHVURJKSA-N 2 2 330.476 1.017 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000573786029 448711658 /nfs/dbraw/zinc/71/16/58/448711658.db2.gz SSPXGFJEDXSNNZ-CYBMUJFWSA-N 2 2 326.828 1.003 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000573786029 448711662 /nfs/dbraw/zinc/71/16/62/448711662.db2.gz SSPXGFJEDXSNNZ-CYBMUJFWSA-N 2 2 326.828 1.003 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)[C@@H]2C1 ZINC000579102854 448713601 /nfs/dbraw/zinc/71/36/01/448713601.db2.gz VTSZVLKIWIAXGT-OWCLPIDISA-N 2 2 331.464 1.216 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000573666892 448683580 /nfs/dbraw/zinc/68/35/80/448683580.db2.gz YTLFXVHEPQVLKP-UHFFFAOYSA-N 2 2 330.432 1.319 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000573834329 448726071 /nfs/dbraw/zinc/72/60/71/448726071.db2.gz YWKQZEZQFUXJAQ-QZTJIDSGSA-N 2 2 336.476 1.744 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000573834329 448726075 /nfs/dbraw/zinc/72/60/75/448726075.db2.gz YWKQZEZQFUXJAQ-QZTJIDSGSA-N 2 2 336.476 1.744 20 0 EDADLP COCCCOc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000579208395 448737818 /nfs/dbraw/zinc/73/78/18/448737818.db2.gz BPRVBFMJZRJIFW-OAHLLOKOSA-N 2 2 336.436 1.209 20 0 EDADLP COCCCOc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000579208395 448737822 /nfs/dbraw/zinc/73/78/22/448737822.db2.gz BPRVBFMJZRJIFW-OAHLLOKOSA-N 2 2 336.436 1.209 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000573906978 448742441 /nfs/dbraw/zinc/74/24/41/448742441.db2.gz RZJQGDXJLPLBRB-MRXNPFEDSA-N 2 2 328.420 1.321 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000573906978 448742447 /nfs/dbraw/zinc/74/24/47/448742447.db2.gz RZJQGDXJLPLBRB-MRXNPFEDSA-N 2 2 328.420 1.321 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000579241672 448752194 /nfs/dbraw/zinc/75/21/94/448752194.db2.gz HLMAPLIPAGVCTE-XHSDSOJGSA-N 2 2 344.496 1.368 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000579241672 448752197 /nfs/dbraw/zinc/75/21/97/448752197.db2.gz HLMAPLIPAGVCTE-XHSDSOJGSA-N 2 2 344.496 1.368 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000579241672 448752200 /nfs/dbraw/zinc/75/22/00/448752200.db2.gz HLMAPLIPAGVCTE-XHSDSOJGSA-N 2 2 344.496 1.368 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000579241672 448752203 /nfs/dbraw/zinc/75/22/03/448752203.db2.gz HLMAPLIPAGVCTE-XHSDSOJGSA-N 2 2 344.496 1.368 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529281106 448806084 /nfs/dbraw/zinc/80/60/84/448806084.db2.gz LYSILLRHJUYURD-MRXNPFEDSA-N 2 2 335.452 1.073 20 0 EDADLP CCc1cccc2c(CCNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c[nH]c21 ZINC000574058669 448783564 /nfs/dbraw/zinc/78/35/64/448783564.db2.gz YQLNVTXHHGFLTG-MRXNPFEDSA-N 2 2 343.475 1.557 20 0 EDADLP CCc1cccc2c(CCNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c[nH]c21 ZINC000574058669 448783570 /nfs/dbraw/zinc/78/35/70/448783570.db2.gz YQLNVTXHHGFLTG-MRXNPFEDSA-N 2 2 343.475 1.557 20 0 EDADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](CO)C(C)C ZINC000574130332 448795738 /nfs/dbraw/zinc/79/57/38/448795738.db2.gz NRDKDBPRUSTCJN-MDMSPXHWSA-N 2 2 330.513 1.335 20 0 EDADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](CO)C(C)C ZINC000574130332 448795741 /nfs/dbraw/zinc/79/57/41/448795741.db2.gz NRDKDBPRUSTCJN-MDMSPXHWSA-N 2 2 330.513 1.335 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000568166679 448827299 /nfs/dbraw/zinc/82/72/99/448827299.db2.gz PZYJENTVQQOMSD-ZBFHGGJFSA-N 2 2 340.427 1.849 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000568166679 448827302 /nfs/dbraw/zinc/82/73/02/448827302.db2.gz PZYJENTVQQOMSD-ZBFHGGJFSA-N 2 2 340.427 1.849 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529367788 448843855 /nfs/dbraw/zinc/84/38/55/448843855.db2.gz SALFUDKFVNGUFI-UONOGXRCSA-N 2 2 334.468 1.699 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)C1CC1 ZINC000579702442 448856674 /nfs/dbraw/zinc/85/66/74/448856674.db2.gz UYKUNTZVUSGKPP-GDBMZVCRSA-N 2 2 335.423 1.366 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)C1CC1 ZINC000579702442 448856676 /nfs/dbraw/zinc/85/66/76/448856676.db2.gz UYKUNTZVUSGKPP-GDBMZVCRSA-N 2 2 335.423 1.366 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000568526529 448884822 /nfs/dbraw/zinc/88/48/22/448884822.db2.gz FOLOOFLPGXTGOX-KRWDZBQOSA-N 2 2 325.497 1.460 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000568526529 448884826 /nfs/dbraw/zinc/88/48/26/448884826.db2.gz FOLOOFLPGXTGOX-KRWDZBQOSA-N 2 2 325.497 1.460 20 0 EDADLP Cc1csc(NC(=O)C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000568375291 448863744 /nfs/dbraw/zinc/86/37/44/448863744.db2.gz DEJDNQGQVMYQDZ-DZGCQCFKSA-N 2 2 338.477 1.608 20 0 EDADLP C[N@H+](C[C@@H](O)CNCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000568621457 448896312 /nfs/dbraw/zinc/89/63/12/448896312.db2.gz OJGKLEPFNNUNTN-SFHVURJKSA-N 2 2 328.460 1.671 20 0 EDADLP C[N@@H+](C[C@@H](O)CNCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000568621457 448896319 /nfs/dbraw/zinc/89/63/19/448896319.db2.gz OJGKLEPFNNUNTN-SFHVURJKSA-N 2 2 328.460 1.671 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCc2nc3ccccc3s2)[C@@H](C[NH3+])C1 ZINC000568627713 448898229 /nfs/dbraw/zinc/89/82/29/448898229.db2.gz DTUVZXZGCIQBII-ZDUSSCGKSA-N 2 2 332.473 1.720 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCc2nc3ccccc3s2)[C@@H](C[NH3+])C1 ZINC000568627713 448898233 /nfs/dbraw/zinc/89/82/33/448898233.db2.gz DTUVZXZGCIQBII-ZDUSSCGKSA-N 2 2 332.473 1.720 20 0 EDADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)c21 ZINC000592559114 448901261 /nfs/dbraw/zinc/90/12/61/448901261.db2.gz LJZPEEQWWVVNSX-JSGCOSHPSA-N 2 2 328.420 1.810 20 0 EDADLP C[C@H](CCO)C1(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000574812648 448962542 /nfs/dbraw/zinc/96/25/42/448962542.db2.gz GOLOHACFFNYRPI-WCXIOVBPSA-N 2 2 328.497 1.235 20 0 EDADLP C[C@H](CCO)C1(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000574812648 448962544 /nfs/dbraw/zinc/96/25/44/448962544.db2.gz GOLOHACFFNYRPI-WCXIOVBPSA-N 2 2 328.497 1.235 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCCCn3cc[nH+]c3)C2)CC1 ZINC000521239714 448966413 /nfs/dbraw/zinc/96/64/13/448966413.db2.gz VSKLQWBBBYNBPJ-QGZVFWFLSA-N 2 2 348.495 1.085 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000592760696 448974564 /nfs/dbraw/zinc/97/45/64/448974564.db2.gz GUWZDVJTWFEOMO-IRXDYDNUSA-N 2 2 347.507 1.635 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000548086208 448981231 /nfs/dbraw/zinc/98/12/31/448981231.db2.gz NENHGORKLOZPRZ-CABCVRRESA-N 2 2 332.448 1.543 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000548307069 449017403 /nfs/dbraw/zinc/01/74/03/449017403.db2.gz OSRKPCDTNZVUGD-UKRRQHHQSA-N 2 2 348.472 1.799 20 0 EDADLP Cc1c(Cl)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc2ccccc12 ZINC000582133059 449020214 /nfs/dbraw/zinc/02/02/14/449020214.db2.gz IBOPPLPMIRLYST-GXTWGEPZSA-N 2 2 344.846 1.940 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000548327985 449020845 /nfs/dbraw/zinc/02/08/45/449020845.db2.gz YJWZJWHHKNKNJW-DLBZAZTESA-N 2 2 340.427 1.215 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000548327985 449020847 /nfs/dbraw/zinc/02/08/47/449020847.db2.gz YJWZJWHHKNKNJW-DLBZAZTESA-N 2 2 340.427 1.215 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1COCC[NH+]1C1CCCC1 ZINC000530025734 449029889 /nfs/dbraw/zinc/02/98/89/449029889.db2.gz GEHWJOFQIKWIKM-QZTJIDSGSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1COCC[NH+]1C1CCCC1 ZINC000530025734 449029897 /nfs/dbraw/zinc/02/98/97/449029897.db2.gz GEHWJOFQIKWIKM-QZTJIDSGSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000530025734 449029904 /nfs/dbraw/zinc/02/99/04/449029904.db2.gz GEHWJOFQIKWIKM-QZTJIDSGSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000530025734 449029912 /nfs/dbraw/zinc/02/99/12/449029912.db2.gz GEHWJOFQIKWIKM-QZTJIDSGSA-N 2 2 335.492 1.763 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000582191899 449036256 /nfs/dbraw/zinc/03/62/56/449036256.db2.gz QDLPXTCTMOQFAA-UHFFFAOYSA-N 2 2 340.435 1.839 20 0 EDADLP C[N@@H+]1CCO[C@H]([C@H](NC[C@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000530222074 449086174 /nfs/dbraw/zinc/08/61/74/449086174.db2.gz FWHJMWMKVAFYLR-YESZJQIVSA-N 2 2 339.867 1.290 20 0 EDADLP C[N@H+]1CCO[C@H]([C@H](NC[C@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000530222074 449086179 /nfs/dbraw/zinc/08/61/79/449086179.db2.gz FWHJMWMKVAFYLR-YESZJQIVSA-N 2 2 339.867 1.290 20 0 EDADLP C[N@H+](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000548609331 449067575 /nfs/dbraw/zinc/06/75/75/449067575.db2.gz CSOWCTWHUJDXRI-INIZCTEOSA-N 2 2 327.432 1.629 20 0 EDADLP C[N@@H+](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000548609331 449067578 /nfs/dbraw/zinc/06/75/78/449067578.db2.gz CSOWCTWHUJDXRI-INIZCTEOSA-N 2 2 327.432 1.629 20 0 EDADLP CCOC(=O)c1cccc(C[NH2+]C2CC[NH+](CCCOC)CC2)n1 ZINC000600130901 449206571 /nfs/dbraw/zinc/20/65/71/449206571.db2.gz QNMVSVGPJFOYHY-UHFFFAOYSA-N 2 2 335.448 1.849 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C(=O)OC)CC1 ZINC000590658688 449235933 /nfs/dbraw/zinc/23/59/33/449235933.db2.gz YADAGXBCMIVGBG-CABCVRRESA-N 2 2 326.437 1.335 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000590785616 449292990 /nfs/dbraw/zinc/29/29/90/449292990.db2.gz GKMDSHHHPAXKAO-UHFFFAOYSA-N 2 2 342.443 2.457 20 0 EDADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000590785616 449292993 /nfs/dbraw/zinc/29/29/93/449292993.db2.gz GKMDSHHHPAXKAO-UHFFFAOYSA-N 2 2 342.443 2.457 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(-c4ccoc4)n[nH]3)C2)CC1 ZINC000602199288 449427383 /nfs/dbraw/zinc/42/73/83/449427383.db2.gz HPOILPFAZSPMOP-CQSZACIVSA-N 2 2 343.431 1.568 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(-c4ccoc4)n[nH]3)C2)CC1 ZINC000602199288 449427387 /nfs/dbraw/zinc/42/73/87/449427387.db2.gz HPOILPFAZSPMOP-CQSZACIVSA-N 2 2 343.431 1.568 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000596228258 449428065 /nfs/dbraw/zinc/42/80/65/449428065.db2.gz ZTOKCAFPNHCMJZ-INIZCTEOSA-N 2 2 333.432 1.346 20 0 EDADLP C[NH+]1CCC(n2ccc(NC(=O)[C@H]3CCc4[nH+]c[nH]c4C3)n2)CC1 ZINC000614157454 449484163 /nfs/dbraw/zinc/48/41/63/449484163.db2.gz RRDAOPZRLBOTKA-LBPRGKRZSA-N 2 2 328.420 1.617 20 0 EDADLP C[NH+]1CCC(n2ccc(NC(=O)[C@H]3CCc4[nH]c[nH+]c4C3)n2)CC1 ZINC000614157454 449484168 /nfs/dbraw/zinc/48/41/68/449484168.db2.gz RRDAOPZRLBOTKA-LBPRGKRZSA-N 2 2 328.420 1.617 20 0 EDADLP O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614445931 449613805 /nfs/dbraw/zinc/61/38/05/449613805.db2.gz FBJUFHWMFUHYLK-GJZGRUSLSA-N 2 2 332.448 1.228 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614445931 449613817 /nfs/dbraw/zinc/61/38/17/449613817.db2.gz FBJUFHWMFUHYLK-GJZGRUSLSA-N 2 2 332.448 1.228 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000612579360 449782923 /nfs/dbraw/zinc/78/29/23/449782923.db2.gz ZSVJPGGSNQPAQY-XLMAVXFVSA-N 2 2 346.475 1.408 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617696361 449740902 /nfs/dbraw/zinc/74/09/02/449740902.db2.gz HSLOQXLDELNVCS-KDOFPFPSSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617696361 449740906 /nfs/dbraw/zinc/74/09/06/449740906.db2.gz HSLOQXLDELNVCS-KDOFPFPSSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617696361 449740912 /nfs/dbraw/zinc/74/09/12/449740912.db2.gz HSLOQXLDELNVCS-KDOFPFPSSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617696361 449740919 /nfs/dbraw/zinc/74/09/19/449740919.db2.gz HSLOQXLDELNVCS-KDOFPFPSSA-N 2 2 342.443 1.471 20 0 EDADLP Cn1nc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617763436 449823075 /nfs/dbraw/zinc/82/30/75/449823075.db2.gz RHSVMTJOAGSULO-UHFFFAOYSA-N 2 2 331.464 1.116 20 0 EDADLP Cn1nc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617763436 449823078 /nfs/dbraw/zinc/82/30/78/449823078.db2.gz RHSVMTJOAGSULO-UHFFFAOYSA-N 2 2 331.464 1.116 20 0 EDADLP COc1cccc(C2(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC2)c1 ZINC000617764231 449824291 /nfs/dbraw/zinc/82/42/91/449824291.db2.gz OEWKUQYPSNZNMC-UHFFFAOYSA-N 2 2 333.476 1.727 20 0 EDADLP COc1cccc(C2(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC2)c1 ZINC000617764231 449824298 /nfs/dbraw/zinc/82/42/98/449824298.db2.gz OEWKUQYPSNZNMC-UHFFFAOYSA-N 2 2 333.476 1.727 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccccc2)CC(=O)C1 ZINC000617764039 449824537 /nfs/dbraw/zinc/82/45/37/449824537.db2.gz GVLACGBABHJKMB-UHFFFAOYSA-N 2 2 331.460 1.287 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccccc2)CC(=O)C1 ZINC000617764039 449824541 /nfs/dbraw/zinc/82/45/41/449824541.db2.gz GVLACGBABHJKMB-UHFFFAOYSA-N 2 2 331.460 1.287 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1ccc(F)cc1F ZINC000617767879 449831689 /nfs/dbraw/zinc/83/16/89/449831689.db2.gz GVUVRBBBSFMKCO-UHFFFAOYSA-N 2 2 329.391 1.343 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1ccc(F)cc1F ZINC000617767879 449831691 /nfs/dbraw/zinc/83/16/91/449831691.db2.gz GVUVRBBBSFMKCO-UHFFFAOYSA-N 2 2 329.391 1.343 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000617768488 449833263 /nfs/dbraw/zinc/83/32/63/449833263.db2.gz GIAXKFKHPBBTPZ-UHFFFAOYSA-N 2 2 346.475 1.648 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000617768488 449833268 /nfs/dbraw/zinc/83/32/68/449833268.db2.gz GIAXKFKHPBBTPZ-UHFFFAOYSA-N 2 2 346.475 1.648 20 0 EDADLP C[C@H](Oc1ccc(F)cc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768441 449833644 /nfs/dbraw/zinc/83/36/44/449833644.db2.gz DIJXCHUOTUYAJI-AWEZNQCLSA-N 2 2 325.428 1.593 20 0 EDADLP C[C@H](Oc1ccc(F)cc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768441 449833648 /nfs/dbraw/zinc/83/36/48/449833648.db2.gz DIJXCHUOTUYAJI-AWEZNQCLSA-N 2 2 325.428 1.593 20 0 EDADLP Cc1cccn2cc(CC(=O)NCC[N@H+]3C[C@H](C)OC[C@H]3C)[nH+]c12 ZINC000617735477 449798397 /nfs/dbraw/zinc/79/83/97/449798397.db2.gz QCVJGNMMWLVGGX-CABCVRRESA-N 2 2 330.432 1.411 20 0 EDADLP Cc1cccn2cc(CC(=O)NCC[N@@H+]3C[C@H](C)OC[C@H]3C)[nH+]c12 ZINC000617735477 449798399 /nfs/dbraw/zinc/79/83/99/449798399.db2.gz QCVJGNMMWLVGGX-CABCVRRESA-N 2 2 330.432 1.411 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)n(C)c1C ZINC000597248075 449895013 /nfs/dbraw/zinc/89/50/13/449895013.db2.gz LGGJUWLCJQAOAX-MRXNPFEDSA-N 2 2 337.464 1.663 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)n(C)c1C ZINC000597248075 449895017 /nfs/dbraw/zinc/89/50/17/449895017.db2.gz LGGJUWLCJQAOAX-MRXNPFEDSA-N 2 2 337.464 1.663 20 0 EDADLP Cn1cc(C(C)(C)NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000608685815 449907177 /nfs/dbraw/zinc/90/71/77/449907177.db2.gz FUGHIEIKAPYCHI-HNNXBMFYSA-N 2 2 348.495 1.123 20 0 EDADLP Cn1cc(C(C)(C)NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000608685815 449907183 /nfs/dbraw/zinc/90/71/83/449907183.db2.gz FUGHIEIKAPYCHI-HNNXBMFYSA-N 2 2 348.495 1.123 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000612848224 449907325 /nfs/dbraw/zinc/90/73/25/449907325.db2.gz LCHZKEGHGZSPPB-HUUCEWRRSA-N 2 2 334.464 1.340 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000608701922 449913546 /nfs/dbraw/zinc/91/35/46/449913546.db2.gz KPZQVTIKQLLBJH-KRWDZBQOSA-N 2 2 349.479 1.478 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1[NH+]1CCCC1 ZINC000597505829 450068956 /nfs/dbraw/zinc/06/89/56/450068956.db2.gz POXXDJYCINBBEX-DAXOMENPSA-N 2 2 334.489 1.553 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1[NH+]1CCCC1 ZINC000597505829 450068961 /nfs/dbraw/zinc/06/89/61/450068961.db2.gz POXXDJYCINBBEX-DAXOMENPSA-N 2 2 334.489 1.553 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSCc3cccnc3)C2)CC1 ZINC000609571130 450054273 /nfs/dbraw/zinc/05/42/73/450054273.db2.gz FZNONNWVSBLNAK-MRXNPFEDSA-N 2 2 348.516 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSCc3cccnc3)C2)CC1 ZINC000609571130 450054278 /nfs/dbraw/zinc/05/42/78/450054278.db2.gz FZNONNWVSBLNAK-MRXNPFEDSA-N 2 2 348.516 1.600 20 0 EDADLP COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000599557777 450057217 /nfs/dbraw/zinc/05/72/17/450057217.db2.gz BQSZHCKGOIRWDB-IBGZPJMESA-N 2 2 348.443 1.283 20 0 EDADLP COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000599557777 450057226 /nfs/dbraw/zinc/05/72/26/450057226.db2.gz BQSZHCKGOIRWDB-IBGZPJMESA-N 2 2 348.443 1.283 20 0 EDADLP CC(C)C(=O)N1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000613261153 450107109 /nfs/dbraw/zinc/10/71/09/450107109.db2.gz QMXDBFLKIUMMLP-UHFFFAOYSA-N 2 2 333.476 1.927 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cn1 ZINC000615532741 450126609 /nfs/dbraw/zinc/12/66/09/450126609.db2.gz BNVAXJICRPXEDO-KRWDZBQOSA-N 2 2 332.448 1.080 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nc1 ZINC000595472246 450165861 /nfs/dbraw/zinc/16/58/61/450165861.db2.gz JRGAHUULKSOHND-GOSISDBHSA-N 2 2 347.459 1.945 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nc1 ZINC000595472246 450165866 /nfs/dbraw/zinc/16/58/66/450165866.db2.gz JRGAHUULKSOHND-GOSISDBHSA-N 2 2 347.459 1.945 20 0 EDADLP [NH3+]CCSCc1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000603203959 450139209 /nfs/dbraw/zinc/13/92/09/450139209.db2.gz STJKJQNLGHEIBE-UHFFFAOYSA-N 2 2 328.445 1.763 20 0 EDADLP COC(=O)c1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncn1 ZINC000603283437 450207638 /nfs/dbraw/zinc/20/76/38/450207638.db2.gz AQIQOLMZQXWTRP-UHFFFAOYSA-N 2 2 333.436 1.234 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000618401784 450194669 /nfs/dbraw/zinc/19/46/69/450194669.db2.gz RJLUSERJDLUZOF-UHFFFAOYSA-N 2 2 345.447 1.768 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000618401784 450194674 /nfs/dbraw/zinc/19/46/74/450194674.db2.gz RJLUSERJDLUZOF-UHFFFAOYSA-N 2 2 345.447 1.768 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000613608093 450247846 /nfs/dbraw/zinc/24/78/46/450247846.db2.gz WVLRYIRCFULJCC-HUUCEWRRSA-N 2 2 333.480 1.056 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603430970 450298848 /nfs/dbraw/zinc/29/88/48/450298848.db2.gz DIZMKKGACPBZOI-GHMZBOCLSA-N 2 2 325.434 1.579 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)CC2 ZINC000619884905 450354009 /nfs/dbraw/zinc/35/40/09/450354009.db2.gz HRCVZJZUVWSMJD-KRWDZBQOSA-N 2 2 346.475 1.325 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833431 450356054 /nfs/dbraw/zinc/35/60/54/450356054.db2.gz MTHAXZRYZYSHSI-YUELXQCFSA-N 2 2 331.416 1.260 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833431 450356060 /nfs/dbraw/zinc/35/60/60/450356060.db2.gz MTHAXZRYZYSHSI-YUELXQCFSA-N 2 2 331.416 1.260 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](Cc2ccccc2)C1 ZINC000616549420 450445827 /nfs/dbraw/zinc/44/58/27/450445827.db2.gz CAGSLPBHOIDBDT-PKOBYXMFSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](Cc2ccccc2)C1 ZINC000616549420 450445829 /nfs/dbraw/zinc/44/58/29/450445829.db2.gz CAGSLPBHOIDBDT-PKOBYXMFSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000623476848 450527836 /nfs/dbraw/zinc/52/78/36/450527836.db2.gz RHEQHSIEOQOOKL-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000623476848 450527838 /nfs/dbraw/zinc/52/78/38/450527838.db2.gz RHEQHSIEOQOOKL-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623476848 450527841 /nfs/dbraw/zinc/52/78/41/450527841.db2.gz RHEQHSIEOQOOKL-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623476848 450527844 /nfs/dbraw/zinc/52/78/44/450527844.db2.gz RHEQHSIEOQOOKL-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000625896845 450530867 /nfs/dbraw/zinc/53/08/67/450530867.db2.gz CWTIFQCECXUHAV-ZDUSSCGKSA-N 2 2 346.353 1.616 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000625896845 450530870 /nfs/dbraw/zinc/53/08/70/450530870.db2.gz CWTIFQCECXUHAV-ZDUSSCGKSA-N 2 2 346.353 1.616 20 0 EDADLP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000623618604 450552935 /nfs/dbraw/zinc/55/29/35/450552935.db2.gz XVOXEXNHVUSDAA-KRWDZBQOSA-N 2 2 341.459 1.815 20 0 EDADLP Cc1cccc(-c2n[nH]cc2C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000623618604 450552937 /nfs/dbraw/zinc/55/29/37/450552937.db2.gz XVOXEXNHVUSDAA-KRWDZBQOSA-N 2 2 341.459 1.815 20 0 EDADLP O[C@@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCCCC1 ZINC000623858219 450616839 /nfs/dbraw/zinc/61/68/39/450616839.db2.gz FYCOQCBGQMAWNY-AWEZNQCLSA-N 2 2 325.416 2.141 20 0 EDADLP C[C@@H]1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@@H](C)O1 ZINC000631530185 450638148 /nfs/dbraw/zinc/63/81/48/450638148.db2.gz NTTMXHQBFWFXRF-ZACQAIPSSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)(CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[NH+]1CCOCC1 ZINC000635110534 450657376 /nfs/dbraw/zinc/65/73/76/450657376.db2.gz YNIRYSNVEACCPE-GFCCVEGCSA-N 2 2 348.369 1.604 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000629415093 450662037 /nfs/dbraw/zinc/66/20/37/450662037.db2.gz LILWUKUJUOGHMS-INIZCTEOSA-N 2 2 346.475 1.549 20 0 EDADLP c1cnc2c(c1)[C@@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CCC2 ZINC000631581336 450664592 /nfs/dbraw/zinc/66/45/92/450664592.db2.gz LHAYDQHEGTXQNV-LPHOPBHVSA-N 2 2 330.476 1.455 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000633036916 450633138 /nfs/dbraw/zinc/63/31/38/450633138.db2.gz NGHUVNIWIVIDJU-ARFHVFGLSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000633036916 450633142 /nfs/dbraw/zinc/63/31/42/450633142.db2.gz NGHUVNIWIVIDJU-ARFHVFGLSA-N 2 2 326.485 1.077 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)[NH+](CC)CC ZINC000629437321 450683465 /nfs/dbraw/zinc/68/34/65/450683465.db2.gz BLSMBNDJPLIGEG-MSOLQXFVSA-N 2 2 348.491 1.519 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)[NH+](CC)CC ZINC000629437321 450683466 /nfs/dbraw/zinc/68/34/66/450683466.db2.gz BLSMBNDJPLIGEG-MSOLQXFVSA-N 2 2 348.491 1.519 20 0 EDADLP C[NH+](C)[C@@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1ccccc1 ZINC000631646496 450692598 /nfs/dbraw/zinc/69/25/98/450692598.db2.gz MXYOZPLJUWOXFT-HNNXBMFYSA-N 2 2 325.478 1.303 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1CO ZINC000621364135 450700374 /nfs/dbraw/zinc/70/03/74/450700374.db2.gz AKORLNMDEDKEBL-IEBWSBKVSA-N 2 2 345.487 1.281 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1CO ZINC000621364135 450700379 /nfs/dbraw/zinc/70/03/79/450700379.db2.gz AKORLNMDEDKEBL-IEBWSBKVSA-N 2 2 345.487 1.281 20 0 EDADLP C[NH+](C)[C@@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)Cc1ccccc1 ZINC000631661018 450702180 /nfs/dbraw/zinc/70/21/80/450702180.db2.gz HOIKTHTUDDDYTL-MRXNPFEDSA-N 2 2 339.505 1.173 20 0 EDADLP CS(=O)(=O)c1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000629494384 450713889 /nfs/dbraw/zinc/71/38/89/450713889.db2.gz FIHBBDMWPGEDGK-QGZVFWFLSA-N 2 2 338.473 1.463 20 0 EDADLP CS(=O)(=O)c1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1 ZINC000629494384 450713894 /nfs/dbraw/zinc/71/38/94/450713894.db2.gz FIHBBDMWPGEDGK-QGZVFWFLSA-N 2 2 338.473 1.463 20 0 EDADLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cn2)C[C@H](C)O1 ZINC000629554978 450733424 /nfs/dbraw/zinc/73/34/24/450733424.db2.gz CDITTWDTKPLTIS-JZXOWHBKSA-N 2 2 348.491 1.242 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CN1c1c(F)cccc1F ZINC000629577194 450745716 /nfs/dbraw/zinc/74/57/16/450745716.db2.gz WPVXJNVFYVYSIH-OLZOCXBDSA-N 2 2 339.386 1.116 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000624227449 450756128 /nfs/dbraw/zinc/75/61/28/450756128.db2.gz QBBRKWZYQMFSDH-GDBMZVCRSA-N 2 2 338.448 1.438 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000624227449 450756132 /nfs/dbraw/zinc/75/61/32/450756132.db2.gz QBBRKWZYQMFSDH-GDBMZVCRSA-N 2 2 338.448 1.438 20 0 EDADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000624227345 450756385 /nfs/dbraw/zinc/75/63/85/450756385.db2.gz NSRHDRNNJFDDAN-HZPDHXFCSA-N 2 2 339.277 1.963 20 0 EDADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000624227345 450756387 /nfs/dbraw/zinc/75/63/87/450756387.db2.gz NSRHDRNNJFDDAN-HZPDHXFCSA-N 2 2 339.277 1.963 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000633256067 450760733 /nfs/dbraw/zinc/76/07/33/450760733.db2.gz ISPAGMHOGFEQNL-SFHVURJKSA-N 2 2 342.443 1.378 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000633256067 450760735 /nfs/dbraw/zinc/76/07/35/450760735.db2.gz ISPAGMHOGFEQNL-SFHVURJKSA-N 2 2 342.443 1.378 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C[C@H]1C[NH3+] ZINC000631840370 450808405 /nfs/dbraw/zinc/80/84/05/450808405.db2.gz SEEMNPQVEOQWJG-GDBMZVCRSA-N 2 2 333.480 1.929 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C[C@H]1C[NH3+] ZINC000631840370 450808409 /nfs/dbraw/zinc/80/84/09/450808409.db2.gz SEEMNPQVEOQWJG-GDBMZVCRSA-N 2 2 333.480 1.929 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631885618 450846193 /nfs/dbraw/zinc/84/61/93/450846193.db2.gz DFYZFWBVFOAMOR-WMLDXEAASA-N 2 2 330.432 1.657 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631885618 450846196 /nfs/dbraw/zinc/84/61/96/450846196.db2.gz DFYZFWBVFOAMOR-WMLDXEAASA-N 2 2 330.432 1.657 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633447425 450855950 /nfs/dbraw/zinc/85/59/50/450855950.db2.gz WCHVZUQJWYGSPQ-HZPDHXFCSA-N 2 2 342.443 1.328 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633447425 450855956 /nfs/dbraw/zinc/85/59/56/450855956.db2.gz WCHVZUQJWYGSPQ-HZPDHXFCSA-N 2 2 342.443 1.328 20 0 EDADLP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000629914512 450882928 /nfs/dbraw/zinc/88/29/28/450882928.db2.gz WZTYFNWQJXQDID-ROUUACIJSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000629914512 450882931 /nfs/dbraw/zinc/88/29/31/450882931.db2.gz WZTYFNWQJXQDID-ROUUACIJSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000629914512 450882936 /nfs/dbraw/zinc/88/29/36/450882936.db2.gz WZTYFNWQJXQDID-ROUUACIJSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000629914512 450882941 /nfs/dbraw/zinc/88/29/41/450882941.db2.gz WZTYFNWQJXQDID-ROUUACIJSA-N 2 2 349.450 1.363 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742149 450913154 /nfs/dbraw/zinc/91/31/54/450913154.db2.gz KUFCTBJZCWLGFE-HNNXBMFYSA-N 2 2 332.448 1.159 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627742149 450913159 /nfs/dbraw/zinc/91/31/59/450913159.db2.gz KUFCTBJZCWLGFE-HNNXBMFYSA-N 2 2 332.448 1.159 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)CC1 ZINC000631935004 450893069 /nfs/dbraw/zinc/89/30/69/450893069.db2.gz BLVQCDWJKNBAIX-OAHLLOKOSA-N 2 2 341.452 1.196 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(C)[nH+]1 ZINC000627825723 450959457 /nfs/dbraw/zinc/95/94/57/450959457.db2.gz DXNURCICLMFPNL-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c(C)[nH+]1 ZINC000627825723 450959462 /nfs/dbraw/zinc/95/94/62/450959462.db2.gz DXNURCICLMFPNL-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP CN(CCOCC[NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000626948979 451027631 /nfs/dbraw/zinc/02/76/31/451027631.db2.gz GGKBCWQTYQFKTA-UHFFFAOYSA-N 2 2 335.383 1.128 20 0 EDADLP CN(C(=O)Cc1nnc[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101171 451036880 /nfs/dbraw/zinc/03/68/80/451036880.db2.gz QOYCTMVAYSVZDO-HZPDHXFCSA-N 2 2 348.495 1.143 20 0 EDADLP CN(C(=O)Cc1nnc[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101171 451036889 /nfs/dbraw/zinc/03/68/89/451036889.db2.gz QOYCTMVAYSVZDO-HZPDHXFCSA-N 2 2 348.495 1.143 20 0 EDADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)[nH+]1 ZINC000635542706 451038886 /nfs/dbraw/zinc/03/88/86/451038886.db2.gz QGQUPYRANSTUQJ-OAHLLOKOSA-N 2 2 342.447 1.707 20 0 EDADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000635564238 451062305 /nfs/dbraw/zinc/06/23/05/451062305.db2.gz QVKCNPFPFZYDRS-OAHLLOKOSA-N 2 2 326.400 1.887 20 0 EDADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000635564238 451062312 /nfs/dbraw/zinc/06/23/12/451062312.db2.gz QVKCNPFPFZYDRS-OAHLLOKOSA-N 2 2 326.400 1.887 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000635564257 451062733 /nfs/dbraw/zinc/06/27/33/451062733.db2.gz RIIDWEADCWBISO-OALUTQOASA-N 2 2 345.487 1.530 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000635564257 451062736 /nfs/dbraw/zinc/06/27/36/451062736.db2.gz RIIDWEADCWBISO-OALUTQOASA-N 2 2 345.487 1.530 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000622176785 451089170 /nfs/dbraw/zinc/08/91/70/451089170.db2.gz FGKGDDHDKCXBAB-GOSISDBHSA-N 2 2 337.508 1.822 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000622176785 451089176 /nfs/dbraw/zinc/08/91/76/451089176.db2.gz FGKGDDHDKCXBAB-GOSISDBHSA-N 2 2 337.508 1.822 20 0 EDADLP CCc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n(C)n1 ZINC000635616369 451106801 /nfs/dbraw/zinc/10/68/01/451106801.db2.gz UWVQVXPFRHZAIJ-UHFFFAOYSA-N 2 2 347.507 1.663 20 0 EDADLP Cc1n[nH]c(C)c1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634197356 451233385 /nfs/dbraw/zinc/23/33/85/451233385.db2.gz GEMIEDMDPMIGQF-UHFFFAOYSA-N 2 2 328.420 1.355 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1=O ZINC000635789048 451240686 /nfs/dbraw/zinc/24/06/86/451240686.db2.gz JCYDRPFEOXIDGM-CQSZACIVSA-N 2 2 349.479 1.005 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1=O ZINC000635789048 451240689 /nfs/dbraw/zinc/24/06/89/451240689.db2.gz JCYDRPFEOXIDGM-CQSZACIVSA-N 2 2 349.479 1.005 20 0 EDADLP Cn1c2cc(C[NH+]3CCC([N@H+](C)CCCO)CC3)ccc2oc1=O ZINC000638085300 451250512 /nfs/dbraw/zinc/25/05/12/451250512.db2.gz XFYMBPIIFGOBRM-UHFFFAOYSA-N 2 2 333.432 1.410 20 0 EDADLP Cn1c2cc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)ccc2oc1=O ZINC000638085300 451250515 /nfs/dbraw/zinc/25/05/15/451250515.db2.gz XFYMBPIIFGOBRM-UHFFFAOYSA-N 2 2 333.432 1.410 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)[nH+]1 ZINC000635910394 451352556 /nfs/dbraw/zinc/35/25/56/451352556.db2.gz ZVYZDIBEOZXXBB-QGZVFWFLSA-N 2 2 326.444 1.900 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)[nH+]1 ZINC000635910394 451352561 /nfs/dbraw/zinc/35/25/61/451352561.db2.gz ZVYZDIBEOZXXBB-QGZVFWFLSA-N 2 2 326.444 1.900 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000635919301 451365345 /nfs/dbraw/zinc/36/53/45/451365345.db2.gz OQFSPQZSDCBYKX-YJBOKZPZSA-N 2 2 331.460 1.822 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000635919301 451365348 /nfs/dbraw/zinc/36/53/48/451365348.db2.gz OQFSPQZSDCBYKX-YJBOKZPZSA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000635919301 451365350 /nfs/dbraw/zinc/36/53/50/451365350.db2.gz OQFSPQZSDCBYKX-YJBOKZPZSA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000635919301 451365355 /nfs/dbraw/zinc/36/53/55/451365355.db2.gz OQFSPQZSDCBYKX-YJBOKZPZSA-N 2 2 331.460 1.822 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638253398 451383255 /nfs/dbraw/zinc/38/32/55/451383255.db2.gz MYQCAASOLQWVIP-TZMCWYRMSA-N 2 2 333.329 1.865 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000632548499 451390413 /nfs/dbraw/zinc/39/04/13/451390413.db2.gz PCHAJWPOALKOPY-UHFFFAOYSA-N 2 2 338.477 1.195 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000638271516 451391043 /nfs/dbraw/zinc/39/10/43/451391043.db2.gz AOJXVWQIDXAUHZ-SFHVURJKSA-N 2 2 340.427 1.434 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000638273809 451393006 /nfs/dbraw/zinc/39/30/06/451393006.db2.gz LDHASEKBSUDBAW-UHFFFAOYSA-N 2 2 329.448 1.545 20 0 EDADLP COC[C@]1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCCC[NH2+]1 ZINC000638274356 451394088 /nfs/dbraw/zinc/39/40/88/451394088.db2.gz NNWMJVDPLCRHGL-IBGZPJMESA-N 2 2 349.450 1.629 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[N@H+]3C)cc2[nH+]1 ZINC000635959104 451397829 /nfs/dbraw/zinc/39/78/29/451397829.db2.gz CJQQXMHZHIIDRZ-HZPDHXFCSA-N 2 2 328.416 1.578 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[N@@H+]3C)cc2[nH+]1 ZINC000635959104 451397834 /nfs/dbraw/zinc/39/78/34/451397834.db2.gz CJQQXMHZHIIDRZ-HZPDHXFCSA-N 2 2 328.416 1.578 20 0 EDADLP CC[NH+]1CCN(CC(=O)N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000628772306 451407969 /nfs/dbraw/zinc/40/79/69/451407969.db2.gz HEXXKYNEYCEKRL-KRWDZBQOSA-N 2 2 345.422 1.392 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000640569517 451414584 /nfs/dbraw/zinc/41/45/84/451414584.db2.gz PNRWWJQEPSFPOE-UHFFFAOYSA-N 2 2 333.436 1.130 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3=CC[C@@H]([NH3+])C3)c2)CC1 ZINC000638300509 451415614 /nfs/dbraw/zinc/41/56/14/451415614.db2.gz GREYPWBJQADHAM-QGZVFWFLSA-N 2 2 342.443 1.337 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000638300941 451416026 /nfs/dbraw/zinc/41/60/26/451416026.db2.gz LIXWOBXIJMOXQJ-DOTOQJQBSA-N 2 2 330.432 1.664 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[C@@H](C)C[N@@H+]1CCO ZINC000636036204 451458415 /nfs/dbraw/zinc/45/84/15/451458415.db2.gz YXFDPIPOMOVKNS-FRRDWIJNSA-N 2 2 348.369 1.290 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[C@@H](C)C[N@H+]1CCO ZINC000636036204 451458422 /nfs/dbraw/zinc/45/84/22/451458422.db2.gz YXFDPIPOMOVKNS-FRRDWIJNSA-N 2 2 348.369 1.290 20 0 EDADLP C[C@@H](NC(=O)Nc1ccnc(C[NH+](C)C)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000640614153 451460770 /nfs/dbraw/zinc/46/07/70/451460770.db2.gz MVJFMVFVXHOIEP-ZIAGYGMSSA-N 2 2 335.452 1.374 20 0 EDADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619272 451466752 /nfs/dbraw/zinc/46/67/52/451466752.db2.gz IQJHFARBUVIMCU-KBPBESRZSA-N 2 2 335.452 1.062 20 0 EDADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619272 451466759 /nfs/dbraw/zinc/46/67/59/451466759.db2.gz IQJHFARBUVIMCU-KBPBESRZSA-N 2 2 335.452 1.062 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC(C)([NH+]3CCOCC3)CC1)CC2 ZINC000628904708 451466961 /nfs/dbraw/zinc/46/69/61/451466961.db2.gz RFTRAVHENPIBGB-INIZCTEOSA-N 2 2 346.475 1.467 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000628917339 451479069 /nfs/dbraw/zinc/47/90/69/451479069.db2.gz NANVMPGBYPZQJN-QGZVFWFLSA-N 2 2 326.400 1.308 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000628917339 451479075 /nfs/dbraw/zinc/47/90/75/451479075.db2.gz NANVMPGBYPZQJN-QGZVFWFLSA-N 2 2 326.400 1.308 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)[C@@H]2C1 ZINC000636066521 451483766 /nfs/dbraw/zinc/48/37/66/451483766.db2.gz VLZGRFPMGXLKTA-XJKSGUPXSA-N 2 2 326.400 1.744 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)[C@@H]2C1 ZINC000636066521 451483773 /nfs/dbraw/zinc/48/37/73/451483773.db2.gz VLZGRFPMGXLKTA-XJKSGUPXSA-N 2 2 326.400 1.744 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634711475 451491384 /nfs/dbraw/zinc/49/13/84/451491384.db2.gz PKHSDNYMZMOFKH-BHIYHBOVSA-N 2 2 348.487 1.389 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634711475 451491390 /nfs/dbraw/zinc/49/13/90/451491390.db2.gz PKHSDNYMZMOFKH-BHIYHBOVSA-N 2 2 348.487 1.389 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000630942336 451499616 /nfs/dbraw/zinc/49/96/16/451499616.db2.gz JMICBILCKVPAFM-MRXNPFEDSA-N 2 2 328.416 1.917 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000630942336 451499620 /nfs/dbraw/zinc/49/96/20/451499620.db2.gz JMICBILCKVPAFM-MRXNPFEDSA-N 2 2 328.416 1.917 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000638453808 451523159 /nfs/dbraw/zinc/52/31/59/451523159.db2.gz IWKPDNDRTBILGM-HUUCEWRRSA-N 2 2 334.489 1.604 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000638510009 451551282 /nfs/dbraw/zinc/55/12/82/451551282.db2.gz PDRAJQRICCBFBY-UHFFFAOYSA-N 2 2 334.386 1.770 20 0 EDADLP COc1cc(Cl)c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000631049409 451553541 /nfs/dbraw/zinc/55/35/41/451553541.db2.gz FVJRDCRFAXPALJ-CYBMUJFWSA-N 2 2 328.840 1.904 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000638525839 451558056 /nfs/dbraw/zinc/55/80/56/451558056.db2.gz XQXYUUHWTWKLSU-UHFFFAOYSA-N 2 2 330.432 1.860 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000638602070 451601065 /nfs/dbraw/zinc/60/10/65/451601065.db2.gz KLQXRMFPLSYNPY-KRWDZBQOSA-N 2 2 347.459 1.408 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H]1COCC[NH2+]1)Cc1ccccc1Cl ZINC000638616669 451610623 /nfs/dbraw/zinc/61/06/23/451610623.db2.gz NZYDUBMASIXAEI-AWEZNQCLSA-N 2 2 325.840 1.267 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H]1COCC[NH2+]1)Cc1ccccc1Cl ZINC000638616669 451610627 /nfs/dbraw/zinc/61/06/27/451610627.db2.gz NZYDUBMASIXAEI-AWEZNQCLSA-N 2 2 325.840 1.267 20 0 EDADLP O[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C12CCC2 ZINC000631175328 451625237 /nfs/dbraw/zinc/62/52/37/451625237.db2.gz MTPSBLSERBJZGO-RTBURBONSA-N 2 2 346.471 1.791 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631178978 451628557 /nfs/dbraw/zinc/62/85/57/451628557.db2.gz NYPLKXUUXNXEBQ-GOSISDBHSA-N 2 2 347.459 1.108 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631229529 451650967 /nfs/dbraw/zinc/65/09/67/451650967.db2.gz MMZBWFJODNEQIJ-HOCLYGCPSA-N 2 2 325.478 1.036 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631229529 451650971 /nfs/dbraw/zinc/65/09/71/451650971.db2.gz MMZBWFJODNEQIJ-HOCLYGCPSA-N 2 2 325.478 1.036 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(c3ccccc3)C2)CC1 ZINC000636986161 451663165 /nfs/dbraw/zinc/66/31/65/451663165.db2.gz IDXNFCKWXCPOHO-UHFFFAOYSA-N 2 2 330.476 1.821 20 0 EDADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](CCc1ccccc1)C(F)F ZINC000638776063 451686705 /nfs/dbraw/zinc/68/67/05/451686705.db2.gz OVDREQXVKDTLOF-CABCVRRESA-N 2 2 327.419 1.990 20 0 EDADLP [NH3+]CC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000638813363 451699031 /nfs/dbraw/zinc/69/90/31/451699031.db2.gz WJEDIQHVNZNCPM-UHFFFAOYSA-N 2 2 339.439 1.869 20 0 EDADLP CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000631259074 451667406 /nfs/dbraw/zinc/66/74/06/451667406.db2.gz JIZIBRQEAJGQCY-OAHLLOKOSA-N 2 2 345.491 1.679 20 0 EDADLP CCn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000631259074 451667411 /nfs/dbraw/zinc/66/74/11/451667411.db2.gz JIZIBRQEAJGQCY-OAHLLOKOSA-N 2 2 345.491 1.679 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)CC1 ZINC000631258903 451667648 /nfs/dbraw/zinc/66/76/48/451667648.db2.gz FFGXAEBRLWPVFS-RYQLBKOJSA-N 2 2 335.492 1.334 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)CC1 ZINC000631258903 451667651 /nfs/dbraw/zinc/66/76/51/451667651.db2.gz FFGXAEBRLWPVFS-RYQLBKOJSA-N 2 2 335.492 1.334 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636475642 451727511 /nfs/dbraw/zinc/72/75/11/451727511.db2.gz ZGYCQGSOLRKUBS-HZPDHXFCSA-N 2 2 325.416 1.382 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636475642 451727514 /nfs/dbraw/zinc/72/75/14/451727514.db2.gz ZGYCQGSOLRKUBS-HZPDHXFCSA-N 2 2 325.416 1.382 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nnc(-c2c(F)cccc2F)s1 ZINC000638976505 451744418 /nfs/dbraw/zinc/74/44/18/451744418.db2.gz IVRPTJFBJSRZEZ-SNVBAGLBSA-N 2 2 341.387 1.701 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983391 451746157 /nfs/dbraw/zinc/74/61/57/451746157.db2.gz GKGOHRXBNRANJV-UHFFFAOYSA-N 3 2 328.420 1.450 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985366 451746292 /nfs/dbraw/zinc/74/62/92/451746292.db2.gz FMUJMLXNWATADZ-CQSZACIVSA-N 3 2 342.447 1.840 20 0 EDADLP COc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1F ZINC000638987778 451748214 /nfs/dbraw/zinc/74/82/14/451748214.db2.gz ZLKCNLZABDDDJV-UHFFFAOYSA-N 2 2 330.363 1.891 20 0 EDADLP C[NH+](C)CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)CCCC1 ZINC000639047469 451757531 /nfs/dbraw/zinc/75/75/31/451757531.db2.gz SIKZEKZCSUCOIU-UHFFFAOYSA-N 2 2 331.507 1.607 20 0 EDADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000639082673 451764675 /nfs/dbraw/zinc/76/46/75/451764675.db2.gz VOLJNGKLCZSORK-UHFFFAOYSA-N 2 2 329.491 1.456 20 0 EDADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000639082673 451764677 /nfs/dbraw/zinc/76/46/77/451764677.db2.gz VOLJNGKLCZSORK-UHFFFAOYSA-N 2 2 329.491 1.456 20 0 EDADLP CCN(CCOC)c1cccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)[nH+]1 ZINC000641169161 451768079 /nfs/dbraw/zinc/76/80/79/451768079.db2.gz FZWPFEMTDKIBFG-OAHLLOKOSA-N 2 2 344.463 1.346 20 0 EDADLP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)CC(C)C ZINC000639164364 451782688 /nfs/dbraw/zinc/78/26/88/451782688.db2.gz NZEPIKUUWZWBGH-NPYXIHBLSA-N 2 2 325.497 1.721 20 0 EDADLP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)CC(C)C ZINC000639164364 451782689 /nfs/dbraw/zinc/78/26/89/451782689.db2.gz NZEPIKUUWZWBGH-NPYXIHBLSA-N 2 2 325.497 1.721 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639212382 451792796 /nfs/dbraw/zinc/79/27/96/451792796.db2.gz YPSQCPFMISBSLF-IBGZPJMESA-N 2 2 347.503 1.924 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639212382 451792798 /nfs/dbraw/zinc/79/27/98/451792798.db2.gz YPSQCPFMISBSLF-IBGZPJMESA-N 2 2 347.503 1.924 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(Cl)cc1O ZINC000639217599 451793873 /nfs/dbraw/zinc/79/38/73/451793873.db2.gz GXJNOTFKVKLWED-CYBMUJFWSA-N 2 2 328.840 1.991 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(Cl)cc1O ZINC000639217599 451793876 /nfs/dbraw/zinc/79/38/76/451793876.db2.gz GXJNOTFKVKLWED-CYBMUJFWSA-N 2 2 328.840 1.991 20 0 EDADLP CC(C)[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000639347931 451839745 /nfs/dbraw/zinc/83/97/45/451839745.db2.gz AFXNYKLDJPKTGD-KRWDZBQOSA-N 2 2 340.475 1.644 20 0 EDADLP CC(C)[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000639347931 451839751 /nfs/dbraw/zinc/83/97/51/451839751.db2.gz AFXNYKLDJPKTGD-KRWDZBQOSA-N 2 2 340.475 1.644 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000641279206 451804380 /nfs/dbraw/zinc/80/43/80/451804380.db2.gz OJBOIHPRQSEXPI-IRXDYDNUSA-N 2 2 349.500 1.580 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000641279206 451804387 /nfs/dbraw/zinc/80/43/87/451804387.db2.gz OJBOIHPRQSEXPI-IRXDYDNUSA-N 2 2 349.500 1.580 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000641279206 451804393 /nfs/dbraw/zinc/80/43/93/451804393.db2.gz OJBOIHPRQSEXPI-IRXDYDNUSA-N 2 2 349.500 1.580 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000641279206 451804402 /nfs/dbraw/zinc/80/44/02/451804402.db2.gz OJBOIHPRQSEXPI-IRXDYDNUSA-N 2 2 349.500 1.580 20 0 EDADLP C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000639322680 451826833 /nfs/dbraw/zinc/82/68/33/451826833.db2.gz VVTQYNWOEIASJB-ICSRJNTNSA-N 2 2 346.471 1.866 20 0 EDADLP C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000639322680 451826839 /nfs/dbraw/zinc/82/68/39/451826839.db2.gz VVTQYNWOEIASJB-ICSRJNTNSA-N 2 2 346.471 1.866 20 0 EDADLP Cc1cccn2cc(CCNS(=O)(=O)CCn3cc[nH+]c3)[nH+]c12 ZINC000641365880 451898652 /nfs/dbraw/zinc/89/86/52/451898652.db2.gz SISWIQQQRJVZJH-UHFFFAOYSA-N 2 2 333.417 1.001 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651507976 451877495 /nfs/dbraw/zinc/87/74/95/451877495.db2.gz XSGVFODKAXMIFR-UHFFFAOYSA-N 2 2 334.464 1.113 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639476520 451886152 /nfs/dbraw/zinc/88/61/52/451886152.db2.gz NTCMWGSJWVPPRR-OAHLLOKOSA-N 2 2 333.480 1.028 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NCc1[nH+]ccn1C)C1CCCCC1 ZINC000653390911 451903997 /nfs/dbraw/zinc/90/39/97/451903997.db2.gz PPFZJFQKXBDCHH-UHFFFAOYSA-N 2 2 349.479 1.197 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NCc1[nH+]ccn1C)C1CCCCC1 ZINC000653390911 451904002 /nfs/dbraw/zinc/90/40/02/451904002.db2.gz PPFZJFQKXBDCHH-UHFFFAOYSA-N 2 2 349.479 1.197 20 0 EDADLP C[C@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[N@@H+]1C1CC1 ZINC000641376432 451910081 /nfs/dbraw/zinc/91/00/81/451910081.db2.gz XMOUDXUQQGNFIV-DZGCQCFKSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[N@H+]1C1CC1 ZINC000641376432 451910084 /nfs/dbraw/zinc/91/00/84/451910084.db2.gz XMOUDXUQQGNFIV-DZGCQCFKSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[NH+]1C1CC1 ZINC000641376432 451910087 /nfs/dbraw/zinc/91/00/87/451910087.db2.gz XMOUDXUQQGNFIV-DZGCQCFKSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[NH+]1C1CC1 ZINC000641376432 451910089 /nfs/dbraw/zinc/91/00/89/451910089.db2.gz XMOUDXUQQGNFIV-DZGCQCFKSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000644648484 451916357 /nfs/dbraw/zinc/91/63/57/451916357.db2.gz DDLSNXXSXBGYTQ-BPQIPLTHSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000644648484 451916364 /nfs/dbraw/zinc/91/63/64/451916364.db2.gz DDLSNXXSXBGYTQ-BPQIPLTHSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000641417536 451955656 /nfs/dbraw/zinc/95/56/56/451955656.db2.gz UTHARGRHCGYTPK-HUUCEWRRSA-N 2 2 340.493 1.456 20 0 EDADLP C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000641417536 451955661 /nfs/dbraw/zinc/95/56/61/451955661.db2.gz UTHARGRHCGYTPK-HUUCEWRRSA-N 2 2 340.493 1.456 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000649285765 451959524 /nfs/dbraw/zinc/95/95/24/451959524.db2.gz RZICPXMFOBVRPY-HUUCEWRRSA-N 2 2 344.459 1.388 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCCC(=O)c3ccccc3)CCO2)CC1 ZINC000649296202 451973362 /nfs/dbraw/zinc/97/33/62/451973362.db2.gz LYZIFFBTSHGVJI-LJQANCHMSA-N 2 2 345.487 1.598 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649303708 451980011 /nfs/dbraw/zinc/98/00/11/451980011.db2.gz VQKYOHZUOJMTTP-GFCCVEGCSA-N 2 2 341.350 1.390 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CCC[NH2+]3)CCCC2)no1 ZINC000649308265 451985349 /nfs/dbraw/zinc/98/53/49/451985349.db2.gz ZBOCQHPWLBGJCM-CYBMUJFWSA-N 2 2 335.452 1.549 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)CC2)s1 ZINC000649319650 451997872 /nfs/dbraw/zinc/99/78/72/451997872.db2.gz NZPGNYBGTSGICU-AWEZNQCLSA-N 2 2 337.489 1.191 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)N3CCn4c[nH+]cc4C3)cn2)CC1 ZINC000637664939 452006195 /nfs/dbraw/zinc/00/61/95/452006195.db2.gz WGXJKUDWDCHDKD-UHFFFAOYSA-N 2 2 329.408 1.394 20 0 EDADLP C[C@@H]([NH2+]C1(CNC(=O)[C@@]2([NH3+])CCN(C)C2)CCCC1)c1ccccc1 ZINC000649331706 452013279 /nfs/dbraw/zinc/01/32/79/452013279.db2.gz PFJVYVHJKMJRRW-OXQOHEQNSA-N 2 2 344.503 1.799 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683317 452021070 /nfs/dbraw/zinc/02/10/70/452021070.db2.gz XAWILNZMKIPTDW-UHFFFAOYSA-N 2 2 325.478 1.807 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683317 452021075 /nfs/dbraw/zinc/02/10/75/452021075.db2.gz XAWILNZMKIPTDW-UHFFFAOYSA-N 2 2 325.478 1.807 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651733457 452043825 /nfs/dbraw/zinc/04/38/25/452043825.db2.gz ICZMNMQIPIQTDA-OALUTQOASA-N 2 2 341.459 1.735 20 0 EDADLP COc1ncc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c2ccccc21 ZINC000639719314 452061178 /nfs/dbraw/zinc/06/11/78/452061178.db2.gz BLQNJEDJDPOPBA-UHFFFAOYSA-N 2 2 342.443 1.449 20 0 EDADLP COc1ncc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c2ccccc21 ZINC000639719314 452061184 /nfs/dbraw/zinc/06/11/84/452061184.db2.gz BLQNJEDJDPOPBA-UHFFFAOYSA-N 2 2 342.443 1.449 20 0 EDADLP Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411039 452074366 /nfs/dbraw/zinc/07/43/66/452074366.db2.gz HHFYICMFGBPXDE-KRWDZBQOSA-N 2 2 330.476 1.469 20 0 EDADLP CCO[C@H](C)c1nc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000649414535 452075612 /nfs/dbraw/zinc/07/56/12/452075612.db2.gz FRTYEQIBKPRIIM-HUUCEWRRSA-N 2 2 338.521 1.968 20 0 EDADLP Brc1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000649411649 452076485 /nfs/dbraw/zinc/07/64/85/452076485.db2.gz OJKSBAQRXRVTPL-LBPRGKRZSA-N 2 2 325.254 1.576 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC[NH2+]C1 ZINC000649412061 452076587 /nfs/dbraw/zinc/07/65/87/452076587.db2.gz GNWNFVWYWHJONQ-SNVBAGLBSA-N 2 2 327.226 1.324 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC[NH2+]C1 ZINC000649412061 452076593 /nfs/dbraw/zinc/07/65/93/452076593.db2.gz GNWNFVWYWHJONQ-SNVBAGLBSA-N 2 2 327.226 1.324 20 0 EDADLP CC1([NH3+])CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000649416173 452078558 /nfs/dbraw/zinc/07/85/58/452078558.db2.gz VHDPVLBPABFVPK-UHFFFAOYSA-N 2 2 336.505 1.206 20 0 EDADLP O=C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649419450 452081358 /nfs/dbraw/zinc/08/13/58/452081358.db2.gz PUKHXXVMNPQRMI-IAGOWNOFSA-N 2 2 348.516 1.076 20 0 EDADLP c1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CCOCC1 ZINC000643250864 452095349 /nfs/dbraw/zinc/09/53/49/452095349.db2.gz XDWGDOVRKYJJAF-WOJBJXKFSA-N 2 2 346.471 1.899 20 0 EDADLP c1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CCOCC1 ZINC000643250864 452095354 /nfs/dbraw/zinc/09/53/54/452095354.db2.gz XDWGDOVRKYJJAF-WOJBJXKFSA-N 2 2 346.471 1.899 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639763569 452104123 /nfs/dbraw/zinc/10/41/23/452104123.db2.gz DXRAKZGGAQSENW-HKUYNNGSSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639763569 452104126 /nfs/dbraw/zinc/10/41/26/452104126.db2.gz DXRAKZGGAQSENW-HKUYNNGSSA-N 2 2 336.476 1.432 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CO1 ZINC000647183406 452111985 /nfs/dbraw/zinc/11/19/85/452111985.db2.gz WIGYGNANSOMFNG-OWCLPIDISA-N 2 2 347.463 1.049 20 0 EDADLP COc1ncncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000647200074 452122066 /nfs/dbraw/zinc/12/20/66/452122066.db2.gz HMAWBULYFWJNMF-GOSISDBHSA-N 2 2 342.443 1.732 20 0 EDADLP COc1ncncc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000647200074 452122069 /nfs/dbraw/zinc/12/20/69/452122069.db2.gz HMAWBULYFWJNMF-GOSISDBHSA-N 2 2 342.443 1.732 20 0 EDADLP Cn1cc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000637871137 452125902 /nfs/dbraw/zinc/12/59/02/452125902.db2.gz IIMGHHMVNUYUSN-UHFFFAOYSA-N 2 2 344.459 1.763 20 0 EDADLP Cn1cc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000637871137 452125916 /nfs/dbraw/zinc/12/59/16/452125916.db2.gz IIMGHHMVNUYUSN-UHFFFAOYSA-N 2 2 344.459 1.763 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000653849651 452148111 /nfs/dbraw/zinc/14/81/11/452148111.db2.gz SDNUHGGQULTOKM-CYBMUJFWSA-N 2 2 346.374 1.379 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000653849651 452148115 /nfs/dbraw/zinc/14/81/15/452148115.db2.gz SDNUHGGQULTOKM-CYBMUJFWSA-N 2 2 346.374 1.379 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000653849651 452148121 /nfs/dbraw/zinc/14/81/21/452148121.db2.gz SDNUHGGQULTOKM-CYBMUJFWSA-N 2 2 346.374 1.379 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000653849651 452148125 /nfs/dbraw/zinc/14/81/25/452148125.db2.gz SDNUHGGQULTOKM-CYBMUJFWSA-N 2 2 346.374 1.379 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CCc2cncc(C)n2)CC1 ZINC000649611416 452167415 /nfs/dbraw/zinc/16/74/15/452167415.db2.gz XBYMRURLPXUPKA-UHFFFAOYSA-N 2 2 336.480 1.387 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H](C)Cn3cc[nH+]c3)cn21 ZINC000645165853 452188573 /nfs/dbraw/zinc/18/85/73/452188573.db2.gz KBXBRPVRYHGBOD-CYBMUJFWSA-N 2 2 326.404 1.770 20 0 EDADLP Nc1cnccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000641725712 452223763 /nfs/dbraw/zinc/22/37/63/452223763.db2.gz LZAPRKFAXXQNMQ-PKOBYXMFSA-N 2 2 326.444 1.636 20 0 EDADLP Nc1cnccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000641725712 452223767 /nfs/dbraw/zinc/22/37/67/452223767.db2.gz LZAPRKFAXXQNMQ-PKOBYXMFSA-N 2 2 326.444 1.636 20 0 EDADLP Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(N2CCCC2)n1 ZINC000643471329 452238545 /nfs/dbraw/zinc/23/85/45/452238545.db2.gz UEUUKIYPFUYOSX-ZWKOTPCHSA-N 2 2 330.476 1.847 20 0 EDADLP CCCN(C(=O)NCC[NH+]1CCOCC1(C)C)[C@H]1CC[N@H+](C)C1 ZINC000645257305 452240132 /nfs/dbraw/zinc/24/01/32/452240132.db2.gz HCBCQOCDNQMBIZ-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCCN(C(=O)NCC[NH+]1CCOCC1(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000645257305 452240137 /nfs/dbraw/zinc/24/01/37/452240137.db2.gz HCBCQOCDNQMBIZ-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000647516377 452251185 /nfs/dbraw/zinc/25/11/85/452251185.db2.gz LAQBWHQINKMTSG-GHMZBOCLSA-N 2 2 337.247 1.245 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)n1C ZINC000657445228 452251524 /nfs/dbraw/zinc/25/15/24/452251524.db2.gz CKMAKJKLXRNCJH-AWEZNQCLSA-N 2 2 344.463 1.415 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000665697860 452256079 /nfs/dbraw/zinc/25/60/79/452256079.db2.gz UUEMOCLCJLCEFI-CABCVRRESA-N 2 2 333.480 1.651 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000665697860 452256082 /nfs/dbraw/zinc/25/60/82/452256082.db2.gz UUEMOCLCJLCEFI-CABCVRRESA-N 2 2 333.480 1.651 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641787403 452263873 /nfs/dbraw/zinc/26/38/73/452263873.db2.gz AVIFAUXHBZKTBJ-OAHLLOKOSA-N 2 2 338.521 1.592 20 0 EDADLP COC1(C[C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000641787433 452264820 /nfs/dbraw/zinc/26/48/20/452264820.db2.gz VTSXRVCGKKEPRS-MSOLQXFVSA-N 2 2 339.524 1.720 20 0 EDADLP CCn1cc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641788941 452267844 /nfs/dbraw/zinc/26/78/44/452267844.db2.gz WIINHKNBCRRLHA-SJLPKXTDSA-N 2 2 335.496 1.350 20 0 EDADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000641801485 452277923 /nfs/dbraw/zinc/27/79/23/452277923.db2.gz RCWUDUZAKSOMGB-GJZGRUSLSA-N 2 2 349.456 1.961 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000647551607 452279759 /nfs/dbraw/zinc/27/97/59/452279759.db2.gz XRKCZYIYJSFDEG-JQHSSLGASA-N 2 2 331.460 1.044 20 0 EDADLP Cc1n[nH]cc1C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000639970155 452295826 /nfs/dbraw/zinc/29/58/26/452295826.db2.gz CXIBESOXMFAVQL-KRWDZBQOSA-N 2 2 329.448 1.569 20 0 EDADLP Cc1n[nH]cc1C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000639970155 452295835 /nfs/dbraw/zinc/29/58/35/452295835.db2.gz CXIBESOXMFAVQL-KRWDZBQOSA-N 2 2 329.448 1.569 20 0 EDADLP Cn1nc2c(c1C[NH+]1CCN([C@@H]3CCC[N@H+](C)C3)CC1)CCCC2 ZINC000638055123 452337416 /nfs/dbraw/zinc/33/74/16/452337416.db2.gz FUTOPMVQKUSUHV-MRXNPFEDSA-N 2 2 331.508 1.511 20 0 EDADLP Cn1nc2c(c1C[NH+]1CCN([C@@H]3CCC[N@@H+](C)C3)CC1)CCCC2 ZINC000638055123 452337426 /nfs/dbraw/zinc/33/74/26/452337426.db2.gz FUTOPMVQKUSUHV-MRXNPFEDSA-N 2 2 331.508 1.511 20 0 EDADLP C[NH+](C)C1(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)CCOCC1 ZINC000663611906 452340967 /nfs/dbraw/zinc/34/09/67/452340967.db2.gz UYBVJRFERWIIDR-UHFFFAOYSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000657596732 452366681 /nfs/dbraw/zinc/36/66/81/452366681.db2.gz JHYLZIHLOKWUHX-BHIYHBOVSA-N 2 2 334.460 1.407 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000657596732 452366692 /nfs/dbraw/zinc/36/66/92/452366692.db2.gz JHYLZIHLOKWUHX-BHIYHBOVSA-N 2 2 334.460 1.407 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638075435 452387771 /nfs/dbraw/zinc/38/77/71/452387771.db2.gz RKDKDESKBMXIJT-QAPCUYQASA-N 2 2 343.475 1.403 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652197919 452395859 /nfs/dbraw/zinc/39/58/59/452395859.db2.gz PSFIUECRYIFSSW-CAOSSQGBSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1csc(CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000663680110 452416493 /nfs/dbraw/zinc/41/64/93/452416493.db2.gz MJVWOZMJYRERNG-UHFFFAOYSA-N 2 2 327.498 1.177 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)c2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000659562550 452418436 /nfs/dbraw/zinc/41/84/36/452418436.db2.gz IVWLVPDYOXBMML-CYBMUJFWSA-N 2 2 330.354 1.202 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(F)(F)c2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000659562550 452418443 /nfs/dbraw/zinc/41/84/43/452418443.db2.gz IVWLVPDYOXBMML-CYBMUJFWSA-N 2 2 330.354 1.202 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645484293 452455204 /nfs/dbraw/zinc/45/52/04/452455204.db2.gz DBIRJKZAZDBRBU-KRWDZBQOSA-N 2 2 330.476 1.761 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000659623339 452480087 /nfs/dbraw/zinc/48/00/87/452480087.db2.gz DNUOHKCZMWVTHA-MRXNPFEDSA-N 3 2 327.517 1.027 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000659623339 452480094 /nfs/dbraw/zinc/48/00/94/452480094.db2.gz DNUOHKCZMWVTHA-MRXNPFEDSA-N 3 2 327.517 1.027 20 0 EDADLP C[C@@H](Cc1ccccc1F)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663780306 452508889 /nfs/dbraw/zinc/50/88/89/452508889.db2.gz TZICJRMBVHNELY-HNNXBMFYSA-N 2 2 338.471 1.939 20 0 EDADLP C[C@@H](Cc1ccccc1F)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663780306 452508899 /nfs/dbraw/zinc/50/88/99/452508899.db2.gz TZICJRMBVHNELY-HNNXBMFYSA-N 2 2 338.471 1.939 20 0 EDADLP COCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000655692226 452512571 /nfs/dbraw/zinc/51/25/71/452512571.db2.gz MJVGNQBNTKACKL-KRWDZBQOSA-N 2 2 335.448 1.450 20 0 EDADLP Cc1c(N2CC[C@H](C[NH+](C)C)C2)nc[nH+]c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000663786417 452515162 /nfs/dbraw/zinc/51/51/62/452515162.db2.gz AYEHSCHDBOZTAE-CALCHBBNSA-N 3 2 346.523 1.561 20 0 EDADLP Cc1c(N2CC[C@@H](C[NH+](C)C)C2)nc[nH+]c1N1CC[C@H](C[NH+](C)C)C1 ZINC000663786417 452515168 /nfs/dbraw/zinc/51/51/68/452515168.db2.gz AYEHSCHDBOZTAE-CALCHBBNSA-N 3 2 346.523 1.561 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000652357948 452536381 /nfs/dbraw/zinc/53/63/81/452536381.db2.gz PZYZXKHXHJRAQB-YSVLISHTSA-N 2 2 337.439 1.468 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000652357948 452536390 /nfs/dbraw/zinc/53/63/90/452536390.db2.gz PZYZXKHXHJRAQB-YSVLISHTSA-N 2 2 337.439 1.468 20 0 EDADLP CC(=O)N1CCC([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000657801048 452539290 /nfs/dbraw/zinc/53/92/90/452539290.db2.gz NLMINGNRMXEWIT-HXUWFJFHSA-N 2 2 344.503 1.403 20 0 EDADLP CC(=O)N1CCC([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000657801048 452539296 /nfs/dbraw/zinc/53/92/96/452539296.db2.gz NLMINGNRMXEWIT-HXUWFJFHSA-N 2 2 344.503 1.403 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC2C[NH2+]C2)[C@@H](C)C1 ZINC000640246200 452540724 /nfs/dbraw/zinc/54/07/24/452540724.db2.gz JVXTUYOSBGAKKF-HNNXBMFYSA-N 2 2 346.475 1.520 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC2C[NH2+]C2)[C@@H](C)C1 ZINC000640246200 452540734 /nfs/dbraw/zinc/54/07/34/452540734.db2.gz JVXTUYOSBGAKKF-HNNXBMFYSA-N 2 2 346.475 1.520 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NCCCOc1ccccc1F ZINC000647815117 452545323 /nfs/dbraw/zinc/54/53/23/452545323.db2.gz PRXBHDNGCWOZBY-UHFFFAOYSA-N 2 2 349.450 1.927 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NCCCOc1ccccc1F ZINC000647815117 452545336 /nfs/dbraw/zinc/54/53/36/452545336.db2.gz PRXBHDNGCWOZBY-UHFFFAOYSA-N 2 2 349.450 1.927 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000655732910 452546551 /nfs/dbraw/zinc/54/65/51/452546551.db2.gz SSJOIZJTXBDCFB-HZPDHXFCSA-N 2 2 331.464 1.784 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000655732910 452546560 /nfs/dbraw/zinc/54/65/60/452546560.db2.gz SSJOIZJTXBDCFB-HZPDHXFCSA-N 2 2 331.464 1.784 20 0 EDADLP CO[C@@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000652370924 452559376 /nfs/dbraw/zinc/55/93/76/452559376.db2.gz WOQNQMVLDKVLAU-LXZKKBNFSA-N 2 2 338.496 1.268 20 0 EDADLP CO[C@@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000652370924 452559386 /nfs/dbraw/zinc/55/93/86/452559386.db2.gz WOQNQMVLDKVLAU-LXZKKBNFSA-N 2 2 338.496 1.268 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1=O ZINC000655757332 452562137 /nfs/dbraw/zinc/56/21/37/452562137.db2.gz DYBPFIKCPCPURJ-INIZCTEOSA-N 2 2 342.447 1.234 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657844569 452563467 /nfs/dbraw/zinc/56/34/67/452563467.db2.gz IABCXWQEIFVLOG-CQSZACIVSA-N 2 2 343.431 1.572 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CN1c1ccccc1F ZINC000655769995 452566748 /nfs/dbraw/zinc/56/67/48/452566748.db2.gz VPFBTPJQJIWYLX-HZPDHXFCSA-N 2 2 347.434 1.774 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[NH2+]CC1(C)C)CC2 ZINC000647841337 452578157 /nfs/dbraw/zinc/57/81/57/452578157.db2.gz LVPLWJFKOPENPV-UHFFFAOYSA-N 2 2 347.459 1.272 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[NH2+]CC1(C)C)CC2 ZINC000647841337 452578166 /nfs/dbraw/zinc/57/81/66/452578166.db2.gz LVPLWJFKOPENPV-UHFFFAOYSA-N 2 2 347.459 1.272 20 0 EDADLP CC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CCCCO1 ZINC000654509084 452582877 /nfs/dbraw/zinc/58/28/77/452582877.db2.gz QQLSXTMJTPSPSP-IRXDYDNUSA-N 2 2 340.512 1.659 20 0 EDADLP COc1ccc2c(c1)CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C2 ZINC000654508951 452583616 /nfs/dbraw/zinc/58/36/16/452583616.db2.gz OTEVAKSALAHFPI-UHFFFAOYSA-N 2 2 346.475 1.746 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000640293928 452589068 /nfs/dbraw/zinc/58/90/68/452589068.db2.gz LLTCOHWHKRTQID-KRWDZBQOSA-N 2 2 346.475 1.568 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CCO1 ZINC000647863162 452598980 /nfs/dbraw/zinc/59/89/80/452598980.db2.gz XSUKMSARAYJMOY-YGRLFVJLSA-N 2 2 329.803 1.856 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)CCO1 ZINC000647863162 452598986 /nfs/dbraw/zinc/59/89/86/452598986.db2.gz XSUKMSARAYJMOY-YGRLFVJLSA-N 2 2 329.803 1.856 20 0 EDADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CCO1 ZINC000647863580 452600259 /nfs/dbraw/zinc/60/02/59/452600259.db2.gz FMZXFTJBKUJJLH-BXUZGUMPSA-N 2 2 336.823 1.981 20 0 EDADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CCO1 ZINC000647863580 452600269 /nfs/dbraw/zinc/60/02/69/452600269.db2.gz FMZXFTJBKUJJLH-BXUZGUMPSA-N 2 2 336.823 1.981 20 0 EDADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)CCO1 ZINC000647863583 452601308 /nfs/dbraw/zinc/60/13/08/452601308.db2.gz FMZXFTJBKUJJLH-SMDDNHRTSA-N 2 2 336.823 1.981 20 0 EDADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CCO1 ZINC000647863583 452601315 /nfs/dbraw/zinc/60/13/15/452601315.db2.gz FMZXFTJBKUJJLH-SMDDNHRTSA-N 2 2 336.823 1.981 20 0 EDADLP C[NH+]1CCN(c2ncc(CN[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cn2)CC1 ZINC000655857394 452610672 /nfs/dbraw/zinc/61/06/72/452610672.db2.gz UDXXGTPKFBLVEO-QZTJIDSGSA-N 2 2 344.507 1.335 20 0 EDADLP C[NH+]1CCN(c2ncc(CN[C@@H]3CCC[N@H+]4CCCC[C@H]34)cn2)CC1 ZINC000655857394 452610679 /nfs/dbraw/zinc/61/06/79/452610679.db2.gz UDXXGTPKFBLVEO-QZTJIDSGSA-N 2 2 344.507 1.335 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000647890751 452629864 /nfs/dbraw/zinc/62/98/64/452629864.db2.gz NLWDDNZFXYQJKX-SUMWQHHRSA-N 2 2 333.432 1.350 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)C[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000647890751 452629867 /nfs/dbraw/zinc/62/98/67/452629867.db2.gz NLWDDNZFXYQJKX-SUMWQHHRSA-N 2 2 333.432 1.350 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000661856207 452632380 /nfs/dbraw/zinc/63/23/80/452632380.db2.gz GBUMILOSWGYPQO-MSOLQXFVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000661856207 452632385 /nfs/dbraw/zinc/63/23/85/452632385.db2.gz GBUMILOSWGYPQO-MSOLQXFVSA-N 2 2 345.487 1.830 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000647899254 452641798 /nfs/dbraw/zinc/64/17/98/452641798.db2.gz DZTRFXNZCFUYJW-HOTGVXAUSA-N 2 2 345.443 1.496 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000647899254 452641809 /nfs/dbraw/zinc/64/18/09/452641809.db2.gz DZTRFXNZCFUYJW-HOTGVXAUSA-N 2 2 345.443 1.496 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901353 452643491 /nfs/dbraw/zinc/64/34/91/452643491.db2.gz MUNBCRLHTIAIQY-RBUKOAKNSA-N 2 2 345.487 1.913 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901353 452643497 /nfs/dbraw/zinc/64/34/97/452643497.db2.gz MUNBCRLHTIAIQY-RBUKOAKNSA-N 2 2 345.487 1.913 20 0 EDADLP CCc1noc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000647918541 452655974 /nfs/dbraw/zinc/65/59/74/452655974.db2.gz FYRZASZSYMKSMS-CYBMUJFWSA-N 2 2 330.436 1.510 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCOCC1(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663969619 452677932 /nfs/dbraw/zinc/67/79/32/452677932.db2.gz DCZKXVDVEILJND-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCOCC1(C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000663969619 452677936 /nfs/dbraw/zinc/67/79/36/452677936.db2.gz DCZKXVDVEILJND-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@@H]1CC[NH+](CC)C1 ZINC000663969619 452677944 /nfs/dbraw/zinc/67/79/44/452677944.db2.gz DCZKXVDVEILJND-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@@H]1CC[NH+](CC)C1 ZINC000663969619 452677951 /nfs/dbraw/zinc/67/79/51/452677951.db2.gz DCZKXVDVEILJND-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP Cn1ncc2c1nc(C[N@@H+]1C[C@@H](C[NH3+])[C@H](c3ccccc3)C1)[nH]c2=O ZINC000647953979 452698439 /nfs/dbraw/zinc/69/84/39/452698439.db2.gz YEOUGEYXOKEPHG-HIFRSBDPSA-N 2 2 338.415 1.243 20 0 EDADLP Cn1ncc2c1nc(C[N@H+]1C[C@@H](C[NH3+])[C@H](c3ccccc3)C1)[nH]c2=O ZINC000647953979 452698446 /nfs/dbraw/zinc/69/84/46/452698446.db2.gz YEOUGEYXOKEPHG-HIFRSBDPSA-N 2 2 338.415 1.243 20 0 EDADLP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000664007837 452707924 /nfs/dbraw/zinc/70/79/24/452707924.db2.gz USHFOGDOFBOVLR-GJZGRUSLSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000664007837 452707931 /nfs/dbraw/zinc/70/79/31/452707931.db2.gz USHFOGDOFBOVLR-GJZGRUSLSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659867921 452747308 /nfs/dbraw/zinc/74/73/08/452747308.db2.gz YGDYJKGSKZHMTB-OWCLPIDISA-N 2 2 331.451 1.901 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659867921 452747312 /nfs/dbraw/zinc/74/73/12/452747312.db2.gz YGDYJKGSKZHMTB-OWCLPIDISA-N 2 2 331.451 1.901 20 0 EDADLP [NH3+]CC1(CCNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000652635220 452792592 /nfs/dbraw/zinc/79/25/92/452792592.db2.gz NHJJYEIGWMUQTC-UHFFFAOYSA-N 2 2 327.388 1.056 20 0 EDADLP Cc1cc(C)n2c(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cnc2n1 ZINC000648072131 452800697 /nfs/dbraw/zinc/80/06/97/452800697.db2.gz NJGJWZCPWWTSNC-UHFFFAOYSA-N 2 2 329.448 1.643 20 0 EDADLP Cc1cc(C)n2c(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)cnc2n1 ZINC000648072131 452800705 /nfs/dbraw/zinc/80/07/05/452800705.db2.gz NJGJWZCPWWTSNC-UHFFFAOYSA-N 2 2 329.448 1.643 20 0 EDADLP CC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1nccs1 ZINC000664188707 452858718 /nfs/dbraw/zinc/85/87/18/452858718.db2.gz SGJOLCSKNOCYHL-CYBMUJFWSA-N 2 2 327.498 1.777 20 0 EDADLP CC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1nccs1 ZINC000664188707 452858724 /nfs/dbraw/zinc/85/87/24/452858724.db2.gz SGJOLCSKNOCYHL-CYBMUJFWSA-N 2 2 327.498 1.777 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652713086 452869413 /nfs/dbraw/zinc/86/94/13/452869413.db2.gz GBXINCYUIXPVLL-AWEZNQCLSA-N 2 2 347.463 1.202 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)CCC(C)(C)[NH3+])CC2)c1 ZINC000648159536 452869499 /nfs/dbraw/zinc/86/94/99/452869499.db2.gz UCFOVJLCQNXDHG-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)CC[N@H+]1C ZINC000664215407 452889691 /nfs/dbraw/zinc/88/96/91/452889691.db2.gz BMCCDXKYWWIKLB-HZSPNIEDSA-N 2 2 337.468 1.262 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)CC1 ZINC000645937936 452915109 /nfs/dbraw/zinc/91/51/09/452915109.db2.gz HTUBKYNVDWEMRI-HNNXBMFYSA-N 2 2 344.450 1.001 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)CC1 ZINC000645937936 452915119 /nfs/dbraw/zinc/91/51/19/452915119.db2.gz HTUBKYNVDWEMRI-HNNXBMFYSA-N 2 2 344.450 1.001 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[NH+]1CC(C)C1 ZINC000654808294 452940082 /nfs/dbraw/zinc/94/00/82/452940082.db2.gz YQCOVQRHABCRFD-DLBZAZTESA-N 2 2 345.491 1.049 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656198847 452954916 /nfs/dbraw/zinc/95/49/16/452954916.db2.gz GHONDXHIZFBROA-GJZGRUSLSA-N 2 2 335.452 1.470 20 0 EDADLP Cc1ccc(CC(=O)N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662258410 452987832 /nfs/dbraw/zinc/98/78/32/452987832.db2.gz ULQXUYHTDANXKH-GOSISDBHSA-N 2 2 343.471 1.203 20 0 EDADLP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000662259919 452987903 /nfs/dbraw/zinc/98/79/03/452987903.db2.gz DQENOENZDSLRRE-LJQANCHMSA-N 3 2 344.503 1.541 20 0 EDADLP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000662259919 452987911 /nfs/dbraw/zinc/98/79/11/452987911.db2.gz DQENOENZDSLRRE-LJQANCHMSA-N 3 2 344.503 1.541 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C(F)(F)F)[nH]3)C2)CC1 ZINC000648316184 452999148 /nfs/dbraw/zinc/99/91/48/452999148.db2.gz MQYFHOSOKRKQDJ-NSHDSACASA-N 2 2 344.381 1.932 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C(F)(F)F)[nH]3)C2)CC1 ZINC000648316184 452999156 /nfs/dbraw/zinc/99/91/56/452999156.db2.gz MQYFHOSOKRKQDJ-NSHDSACASA-N 2 2 344.381 1.932 20 0 EDADLP Fc1ccc(-n2cnc3c2CC[N@H+](C[C@H]2CCC4(C[NH2+]C4)O2)C3)cc1 ZINC000662281663 453007405 /nfs/dbraw/zinc/00/74/05/453007405.db2.gz ZBOQERREAHDHGK-MRXNPFEDSA-N 2 2 342.418 1.891 20 0 EDADLP Fc1ccc(-n2cnc3c2CC[N@@H+](C[C@H]2CCC4(C[NH2+]C4)O2)C3)cc1 ZINC000662281663 453007411 /nfs/dbraw/zinc/00/74/11/453007411.db2.gz ZBOQERREAHDHGK-MRXNPFEDSA-N 2 2 342.418 1.891 20 0 EDADLP CCN(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1cccc2ccccc21 ZINC000662285805 453009451 /nfs/dbraw/zinc/00/94/51/453009451.db2.gz JCQFGIITDYBCDH-UHFFFAOYSA-N 2 2 341.455 1.897 20 0 EDADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccnn1CC1CCCCC1 ZINC000662287236 453012124 /nfs/dbraw/zinc/01/21/24/453012124.db2.gz WBPPWTHNDFPXDR-UHFFFAOYSA-N 2 2 349.479 1.106 20 0 EDADLP Cc1cc2c(cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)OCO2 ZINC000666625810 453018290 /nfs/dbraw/zinc/01/82/90/453018290.db2.gz KBRPEBLYHGPTNM-UHFFFAOYSA-N 2 2 336.436 1.729 20 0 EDADLP Cc1cc2c(cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C)OCO2 ZINC000666625810 453018302 /nfs/dbraw/zinc/01/83/02/453018302.db2.gz KBRPEBLYHGPTNM-UHFFFAOYSA-N 2 2 336.436 1.729 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000654900846 453022236 /nfs/dbraw/zinc/02/22/36/453022236.db2.gz SYSAUJIGVQITPV-ZFWWWQNUSA-N 2 2 328.416 1.944 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000654900846 453022243 /nfs/dbraw/zinc/02/22/43/453022243.db2.gz SYSAUJIGVQITPV-ZFWWWQNUSA-N 2 2 328.416 1.944 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664410440 453072541 /nfs/dbraw/zinc/07/25/41/453072541.db2.gz VVLQDOVETZPJOW-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664410440 453072550 /nfs/dbraw/zinc/07/25/50/453072550.db2.gz VVLQDOVETZPJOW-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000644153991 453087042 /nfs/dbraw/zinc/08/70/42/453087042.db2.gz HRKHVJMAZWYEKB-QGZVFWFLSA-N 2 2 344.459 1.287 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000644153990 453088264 /nfs/dbraw/zinc/08/82/64/453088264.db2.gz HRKHVJMAZWYEKB-KRWDZBQOSA-N 2 2 344.459 1.287 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3nnn(CC[C@@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000644167261 453097749 /nfs/dbraw/zinc/09/77/49/453097749.db2.gz PJWSLNZBLDGSAA-RDJZCZTQSA-N 2 2 342.447 1.246 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3nnn(CC[C@@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000644167261 453097757 /nfs/dbraw/zinc/09/77/57/453097757.db2.gz PJWSLNZBLDGSAA-RDJZCZTQSA-N 2 2 342.447 1.246 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000664454061 453108551 /nfs/dbraw/zinc/10/85/51/453108551.db2.gz BNFCKRINJFAYFB-HNNXBMFYSA-N 2 2 346.479 1.287 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000655010571 453132138 /nfs/dbraw/zinc/13/21/38/453132138.db2.gz FBELNQNDSRZESP-CZUORRHYSA-N 2 2 339.867 1.468 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1CCO ZINC000655010571 453132142 /nfs/dbraw/zinc/13/21/42/453132142.db2.gz FBELNQNDSRZESP-CZUORRHYSA-N 2 2 339.867 1.468 20 0 EDADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664519705 453159633 /nfs/dbraw/zinc/15/96/33/453159633.db2.gz JSUDFRBYBIXQEX-CVEARBPZSA-N 2 2 331.464 1.786 20 0 EDADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664519705 453159640 /nfs/dbraw/zinc/15/96/40/453159640.db2.gz JSUDFRBYBIXQEX-CVEARBPZSA-N 2 2 331.464 1.786 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC000660304998 453196592 /nfs/dbraw/zinc/19/65/92/453196592.db2.gz IVCVZPFVONSMAI-CABCVRRESA-N 2 2 335.452 1.142 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cnccn2)[C@H](C)C1 ZINC000660304998 453196600 /nfs/dbraw/zinc/19/66/00/453196600.db2.gz IVCVZPFVONSMAI-CABCVRRESA-N 2 2 335.452 1.142 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H](C)O1 ZINC000651042995 453217627 /nfs/dbraw/zinc/21/76/27/453217627.db2.gz UGWQQMQSCWVHGJ-HUUCEWRRSA-N 2 2 348.491 1.766 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000662511951 453228068 /nfs/dbraw/zinc/22/80/68/453228068.db2.gz CVVSKVGZURPFEY-KRWDZBQOSA-N 2 2 332.448 1.287 20 0 EDADLP CC[C@H]1CN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CC[C@@H]1[NH3+] ZINC000646234959 453247104 /nfs/dbraw/zinc/24/71/04/453247104.db2.gz WWHYYZWVCLSXAQ-HOCLYGCPSA-N 2 2 329.448 1.954 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCc1cn3c([nH+]1)CCCC3)CC2 ZINC000651079799 453251841 /nfs/dbraw/zinc/25/18/41/453251841.db2.gz DKOHSJGPCKXKGU-AWEZNQCLSA-N 2 2 327.432 1.646 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(NS(C)(=O)=O)c3)C2)C1 ZINC000646243226 453252323 /nfs/dbraw/zinc/25/23/23/453252323.db2.gz AQMJSQFMDJMQCB-KRWDZBQOSA-N 2 2 337.489 1.976 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(NS(C)(=O)=O)c3)C2)C1 ZINC000646243226 453252331 /nfs/dbraw/zinc/25/23/31/453252331.db2.gz AQMJSQFMDJMQCB-KRWDZBQOSA-N 2 2 337.489 1.976 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(NS(C)(=O)=O)c3)C2)C1 ZINC000646243226 453252343 /nfs/dbraw/zinc/25/23/43/453252343.db2.gz AQMJSQFMDJMQCB-KRWDZBQOSA-N 2 2 337.489 1.976 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(NS(C)(=O)=O)c3)C2)C1 ZINC000646243226 453252348 /nfs/dbraw/zinc/25/23/48/453252348.db2.gz AQMJSQFMDJMQCB-KRWDZBQOSA-N 2 2 337.489 1.976 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)COC1CCC([NH3+])CC1 ZINC000646255487 453257803 /nfs/dbraw/zinc/25/78/03/453257803.db2.gz TVFHNJQFDZTGKY-UHFFFAOYSA-N 2 2 348.447 1.452 20 0 EDADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1noc(Cc2ccccc2)n1 ZINC000653100654 453282902 /nfs/dbraw/zinc/28/29/02/453282902.db2.gz UJFAJJXUZBNHPK-OCCSQVGLSA-N 2 2 331.420 1.117 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000648801065 453285542 /nfs/dbraw/zinc/28/55/42/453285542.db2.gz GLCOEAOARIQLHO-XHSDSOJGSA-N 2 2 334.464 1.576 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1cnccn1 ZINC000660435582 453306690 /nfs/dbraw/zinc/30/66/90/453306690.db2.gz NELRFPHXTIRARK-UHFFFAOYSA-N 2 2 340.431 1.828 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653117700 453307151 /nfs/dbraw/zinc/30/71/51/453307151.db2.gz UBSVSAKWMGBCPU-LPHOPBHVSA-N 2 2 344.459 1.314 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664674241 453307758 /nfs/dbraw/zinc/30/77/58/453307758.db2.gz GAVRQYDGFVGZJL-AWEZNQCLSA-N 2 2 346.431 1.267 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664674241 453307762 /nfs/dbraw/zinc/30/77/62/453307762.db2.gz GAVRQYDGFVGZJL-AWEZNQCLSA-N 2 2 346.431 1.267 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000653133901 453324629 /nfs/dbraw/zinc/32/46/29/453324629.db2.gz FOIPFXXIHVEOFW-CEXWTWQISA-N 3 2 346.519 1.464 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000653154624 453343885 /nfs/dbraw/zinc/34/38/85/453343885.db2.gz XCLNWSMIEBPXKL-QZTJIDSGSA-N 3 2 332.492 1.388 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653154624 453343890 /nfs/dbraw/zinc/34/38/90/453343890.db2.gz XCLNWSMIEBPXKL-QZTJIDSGSA-N 3 2 332.492 1.388 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000653158035 453351324 /nfs/dbraw/zinc/35/13/24/453351324.db2.gz TZAQHIDZDLAJID-CABCVRRESA-N 2 2 342.447 1.414 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000656694937 453368388 /nfs/dbraw/zinc/36/83/88/453368388.db2.gz VFDZLNWTECXFDB-GOSISDBHSA-N 2 2 333.476 1.536 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000656694937 453368395 /nfs/dbraw/zinc/36/83/95/453368395.db2.gz VFDZLNWTECXFDB-GOSISDBHSA-N 2 2 333.476 1.536 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000656694937 453368404 /nfs/dbraw/zinc/36/84/04/453368404.db2.gz VFDZLNWTECXFDB-GOSISDBHSA-N 2 2 333.476 1.536 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000656694937 453368410 /nfs/dbraw/zinc/36/84/10/453368410.db2.gz VFDZLNWTECXFDB-GOSISDBHSA-N 2 2 333.476 1.536 20 0 EDADLP C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000651231420 453382567 /nfs/dbraw/zinc/38/25/67/453382567.db2.gz DCEWVRRGZAZIDC-AZUAARDMSA-N 2 2 346.519 1.789 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000653215210 453405355 /nfs/dbraw/zinc/40/53/55/453405355.db2.gz OSIHSQRZRNYMOD-GOSISDBHSA-N 2 2 331.460 1.666 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000653215210 453405361 /nfs/dbraw/zinc/40/53/61/453405361.db2.gz OSIHSQRZRNYMOD-GOSISDBHSA-N 2 2 331.460 1.666 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651264015 453407041 /nfs/dbraw/zinc/40/70/41/453407041.db2.gz AOGVPXJMOPGRSZ-UHFFFAOYSA-N 2 2 336.480 1.579 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)c1 ZINC000662717959 453441183 /nfs/dbraw/zinc/44/11/83/453441183.db2.gz FWKPHZYRFMNRRU-JCGIZDLHSA-N 2 2 347.459 1.264 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662718401 453441288 /nfs/dbraw/zinc/44/12/88/453441288.db2.gz ZSVHSJIERHQOEI-KBAYOESNSA-N 2 2 331.460 1.473 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000662740671 453467563 /nfs/dbraw/zinc/46/75/63/453467563.db2.gz AZFVSWGAAXJAQN-KRWDZBQOSA-N 2 2 342.443 1.284 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000662740671 453467573 /nfs/dbraw/zinc/46/75/73/453467573.db2.gz AZFVSWGAAXJAQN-KRWDZBQOSA-N 2 2 342.443 1.284 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000667228251 453496019 /nfs/dbraw/zinc/49/60/19/453496019.db2.gz BGBIWSARCKUVOS-RCCFBDPRSA-N 2 2 348.466 1.647 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000667228251 453496027 /nfs/dbraw/zinc/49/60/27/453496027.db2.gz BGBIWSARCKUVOS-RCCFBDPRSA-N 2 2 348.466 1.647 20 0 EDADLP C[C@@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000667253940 453514562 /nfs/dbraw/zinc/51/45/62/453514562.db2.gz MGXFWXSYYIGXKN-HUUCEWRRSA-N 2 2 335.452 1.377 20 0 EDADLP C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1[nH+]ccn1C ZINC000667254839 453515647 /nfs/dbraw/zinc/51/56/47/453515647.db2.gz BNCCTHKJSWRIAU-HOTGVXAUSA-N 2 2 348.495 1.293 20 0 EDADLP C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1[nH+]ccn1C ZINC000667254839 453515651 /nfs/dbraw/zinc/51/56/51/453515651.db2.gz BNCCTHKJSWRIAU-HOTGVXAUSA-N 2 2 348.495 1.293 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000660692665 453518797 /nfs/dbraw/zinc/51/87/97/453518797.db2.gz PASQASUAWCQSKF-QGZVFWFLSA-N 2 2 339.524 1.706 20 0 EDADLP C[NH+](C)CCN1CCN(c2[nH+]cnc3[nH]c4ccccc4c32)CC1=O ZINC000651382703 453522617 /nfs/dbraw/zinc/52/26/17/453522617.db2.gz RZOSIIGVBUKAJC-UHFFFAOYSA-N 2 2 338.415 1.321 20 0 EDADLP [NH3+][C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)cc1F ZINC000662794331 453528714 /nfs/dbraw/zinc/52/87/14/453528714.db2.gz DLVNOTMMSYHSFH-WBMJQRKESA-N 2 2 332.354 1.755 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000662797226 453532258 /nfs/dbraw/zinc/53/22/58/453532258.db2.gz HQMZNPMZYDTYFO-MEYUZBJRSA-N 2 2 339.386 1.190 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000662797226 453532263 /nfs/dbraw/zinc/53/22/63/453532263.db2.gz HQMZNPMZYDTYFO-MEYUZBJRSA-N 2 2 339.386 1.190 20 0 EDADLP Cc1ncsc1CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665000841 453540004 /nfs/dbraw/zinc/54/00/04/453540004.db2.gz MTITWRIGFBEDDQ-UHFFFAOYSA-N 2 2 327.498 1.177 20 0 EDADLP Cc1ncsc1CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665000841 453540011 /nfs/dbraw/zinc/54/00/11/453540011.db2.gz MTITWRIGFBEDDQ-UHFFFAOYSA-N 2 2 327.498 1.177 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660734856 453553434 /nfs/dbraw/zinc/55/34/34/453553434.db2.gz NBYQJQKEFPJBDP-MRXNPFEDSA-N 2 2 349.479 1.592 20 0 EDADLP C[C@H]1CC[NH2+][C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000662849013 453569145 /nfs/dbraw/zinc/56/91/45/453569145.db2.gz DQKIAACOXVROLW-KANFNMMFSA-N 2 2 343.471 1.486 20 0 EDADLP C[C@H]1CC[NH2+][C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000662849013 453569149 /nfs/dbraw/zinc/56/91/49/453569149.db2.gz DQKIAACOXVROLW-KANFNMMFSA-N 2 2 343.471 1.486 20 0 EDADLP O=C(NCC12CC(C1)C[NH2+]2)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000658993724 453571631 /nfs/dbraw/zinc/57/16/31/453571631.db2.gz ODMBYXBHZOCJIP-UHFFFAOYSA-N 2 2 341.415 1.836 20 0 EDADLP CN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900520 453593112 /nfs/dbraw/zinc/59/31/12/453593112.db2.gz MQMCXJKRRXYTEJ-SFHVURJKSA-N 3 2 336.524 1.393 20 0 EDADLP CN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900520 453593117 /nfs/dbraw/zinc/59/31/17/453593117.db2.gz MQMCXJKRRXYTEJ-SFHVURJKSA-N 3 2 336.524 1.393 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc1 ZINC000662912118 453599145 /nfs/dbraw/zinc/59/91/45/453599145.db2.gz ICJVIHJXSLNHKG-KURKYZTESA-N 2 2 343.471 1.754 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1c[nH+]ccc1N ZINC000665240318 453620136 /nfs/dbraw/zinc/62/01/36/453620136.db2.gz IBNLBZMRBRKUHD-YOEHRIQHSA-N 3 2 326.444 1.912 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1c[nH+]ccc1N ZINC000665240318 453620141 /nfs/dbraw/zinc/62/01/41/453620141.db2.gz IBNLBZMRBRKUHD-YOEHRIQHSA-N 3 2 326.444 1.912 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000665283951 453635514 /nfs/dbraw/zinc/63/55/14/453635514.db2.gz XPULWAHNHIYXOO-YZGWKJHDSA-N 2 2 346.519 1.159 20 0 EDADLP Cc1cccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000657072056 453661986 /nfs/dbraw/zinc/66/19/86/453661986.db2.gz NNMDYOMGBCIKTE-HNNXBMFYSA-N 2 2 327.494 1.545 20 0 EDADLP Cc1cccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657072056 453661988 /nfs/dbraw/zinc/66/19/88/453661988.db2.gz NNMDYOMGBCIKTE-HNNXBMFYSA-N 2 2 327.494 1.545 20 0 EDADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000657072302 453662399 /nfs/dbraw/zinc/66/23/99/453662399.db2.gz PNLZUCLRONKFEN-INIZCTEOSA-N 2 2 341.521 1.854 20 0 EDADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000657072302 453662403 /nfs/dbraw/zinc/66/24/03/453662403.db2.gz PNLZUCLRONKFEN-INIZCTEOSA-N 2 2 341.521 1.854 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)cn1 ZINC000665366218 453669245 /nfs/dbraw/zinc/66/92/45/453669245.db2.gz UDIKRJXXAWGCGK-INIZCTEOSA-N 2 2 348.495 1.120 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)CC2)cn1 ZINC000665366218 453669249 /nfs/dbraw/zinc/66/92/49/453669249.db2.gz UDIKRJXXAWGCGK-INIZCTEOSA-N 2 2 348.495 1.120 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000657093262 453676876 /nfs/dbraw/zinc/67/68/76/453676876.db2.gz UGXHUKWYVRGLMB-UHFFFAOYSA-N 2 2 339.914 1.563 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000657093262 453676878 /nfs/dbraw/zinc/67/68/78/453676878.db2.gz UGXHUKWYVRGLMB-UHFFFAOYSA-N 2 2 339.914 1.563 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H]2CC[NH+](C3CC3)C2)cc1 ZINC000665463088 453702854 /nfs/dbraw/zinc/70/28/54/453702854.db2.gz ZOZPOXIMHAJLRU-YJBOKZPZSA-N 2 2 329.444 1.622 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H]2CC[NH+](C3CC3)C2)cc1 ZINC000665463088 453702856 /nfs/dbraw/zinc/70/28/56/453702856.db2.gz ZOZPOXIMHAJLRU-YJBOKZPZSA-N 2 2 329.444 1.622 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000665463088 453702858 /nfs/dbraw/zinc/70/28/58/453702858.db2.gz ZOZPOXIMHAJLRU-YJBOKZPZSA-N 2 2 329.444 1.622 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000665463088 453702859 /nfs/dbraw/zinc/70/28/59/453702859.db2.gz ZOZPOXIMHAJLRU-YJBOKZPZSA-N 2 2 329.444 1.622 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NCc1cccs1 ZINC000663304160 453762744 /nfs/dbraw/zinc/76/27/44/453762744.db2.gz MSGUBRQANRWMQN-DZGCQCFKSA-N 2 2 337.489 1.596 20 0 EDADLP O=C(NC1CC1)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000663304551 453762827 /nfs/dbraw/zinc/76/28/27/453762827.db2.gz REKUJOWZJWRIFH-MOPGFXCFSA-N 2 2 343.471 1.849 20 0 EDADLP COCc1csc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000657340869 453769445 /nfs/dbraw/zinc/76/94/45/453769445.db2.gz BQEPWJXRJQKDFY-MRXNPFEDSA-N 2 2 339.505 1.927 20 0 EDADLP COCc1csc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000657340869 453769446 /nfs/dbraw/zinc/76/94/46/453769446.db2.gz BQEPWJXRJQKDFY-MRXNPFEDSA-N 2 2 339.505 1.927 20 0 EDADLP CCc1cc(N2CCC[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)ncn1 ZINC000657358376 453773948 /nfs/dbraw/zinc/77/39/48/453773948.db2.gz CMQIRQUADYYDSY-HNNXBMFYSA-N 2 2 326.448 1.940 20 0 EDADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2c(OC)cccc2OC)C1 ZINC000663364804 453780537 /nfs/dbraw/zinc/78/05/37/453780537.db2.gz LSOWSWBJCKBVKF-GJZGRUSLSA-N 2 2 338.448 1.517 20 0 EDADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2c(OC)cccc2OC)C1 ZINC000663364804 453780539 /nfs/dbraw/zinc/78/05/39/453780539.db2.gz LSOWSWBJCKBVKF-GJZGRUSLSA-N 2 2 338.448 1.517 20 0 EDADLP CC1(O)CCN(c2cc(N3CC[NH+](C4CCCC4)CC3)nc[nH+]2)CC1 ZINC000663383010 453785265 /nfs/dbraw/zinc/78/52/65/453785265.db2.gz MDVMJINLXANCQU-UHFFFAOYSA-N 2 2 345.491 1.892 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000661362279 453800287 /nfs/dbraw/zinc/80/02/87/453800287.db2.gz UCBHIWTWBHJCQD-FZNQNYSPSA-N 2 2 331.464 1.821 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000663445102 453800615 /nfs/dbraw/zinc/80/06/15/453800615.db2.gz GJHODJZXQJPEKK-UHFFFAOYSA-N 3 2 327.517 1.042 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000663445102 453800616 /nfs/dbraw/zinc/80/06/16/453800616.db2.gz GJHODJZXQJPEKK-UHFFFAOYSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cn2ccccc2n1 ZINC000663461768 453803653 /nfs/dbraw/zinc/80/36/53/453803653.db2.gz PQGKRUVTLOKNIA-UHFFFAOYSA-N 2 2 332.452 1.017 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cn2ccccc2n1 ZINC000663461768 453803655 /nfs/dbraw/zinc/80/36/55/453803655.db2.gz PQGKRUVTLOKNIA-UHFFFAOYSA-N 2 2 332.452 1.017 20 0 EDADLP CO[C@]1(CO)CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000661397873 453809351 /nfs/dbraw/zinc/80/93/51/453809351.db2.gz WWKYQKPQGNMIES-QFBILLFUSA-N 2 2 347.459 1.487 20 0 EDADLP CO[C@]1(CO)CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000661397873 453809354 /nfs/dbraw/zinc/80/93/54/453809354.db2.gz WWKYQKPQGNMIES-QFBILLFUSA-N 2 2 347.459 1.487 20 0 EDADLP c1snnc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663513310 453813418 /nfs/dbraw/zinc/81/34/18/453813418.db2.gz SCWKOURBPRSACL-GFCCVEGCSA-N 2 2 333.465 1.050 20 0 EDADLP c1snnc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663513310 453813420 /nfs/dbraw/zinc/81/34/20/453813420.db2.gz SCWKOURBPRSACL-GFCCVEGCSA-N 2 2 333.465 1.050 20 0 EDADLP CO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000679970568 486685329 /nfs/dbraw/zinc/68/53/29/486685329.db2.gz JEKFWEHRFWEXQZ-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP CO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000679970568 486685332 /nfs/dbraw/zinc/68/53/32/486685332.db2.gz JEKFWEHRFWEXQZ-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cn21 ZINC000676245079 486705645 /nfs/dbraw/zinc/70/56/45/486705645.db2.gz DPOUKSVIBUHTEM-ZFWWWQNUSA-N 2 2 331.420 1.161 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cn21 ZINC000676245079 486705648 /nfs/dbraw/zinc/70/56/48/486705648.db2.gz DPOUKSVIBUHTEM-ZFWWWQNUSA-N 2 2 331.420 1.161 20 0 EDADLP COCCNC(=O)C1([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000414194987 486713226 /nfs/dbraw/zinc/71/32/26/486713226.db2.gz YIYLMJBKZJOSAR-DLBZAZTESA-N 2 2 331.460 1.707 20 0 EDADLP COCCNC(=O)C1([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000414194987 486713231 /nfs/dbraw/zinc/71/32/31/486713231.db2.gz YIYLMJBKZJOSAR-DLBZAZTESA-N 2 2 331.460 1.707 20 0 EDADLP CN(C)c1cc[nH+]c(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c1 ZINC000680257240 486730880 /nfs/dbraw/zinc/73/08/80/486730880.db2.gz ACHOTQLQBDBQEM-UHFFFAOYSA-N 2 2 342.447 1.732 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000676413789 486763047 /nfs/dbraw/zinc/76/30/47/486763047.db2.gz HHJMKXFKGKFJPD-UHFFFAOYSA-N 2 2 333.411 1.295 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000676413789 486763054 /nfs/dbraw/zinc/76/30/54/486763054.db2.gz HHJMKXFKGKFJPD-UHFFFAOYSA-N 2 2 333.411 1.295 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000680587726 486820877 /nfs/dbraw/zinc/82/08/77/486820877.db2.gz AJTUFWLVZTXMEJ-FUHWJXTLSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000680587726 486820884 /nfs/dbraw/zinc/82/08/84/486820884.db2.gz AJTUFWLVZTXMEJ-FUHWJXTLSA-N 2 2 346.475 1.890 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676706099 486847523 /nfs/dbraw/zinc/84/75/23/486847523.db2.gz CXJRFVNSHHMXLQ-QZTJIDSGSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676706099 486847526 /nfs/dbraw/zinc/84/75/26/486847526.db2.gz CXJRFVNSHHMXLQ-QZTJIDSGSA-N 2 2 335.492 1.717 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000677184356 486999677 /nfs/dbraw/zinc/99/96/77/486999677.db2.gz ZKJAVVCQKFZIAY-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[N@H+]1CCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000677184356 486999683 /nfs/dbraw/zinc/99/96/83/486999683.db2.gz ZKJAVVCQKFZIAY-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000677184356 486999688 /nfs/dbraw/zinc/99/96/88/486999688.db2.gz ZKJAVVCQKFZIAY-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000677184356 486999693 /nfs/dbraw/zinc/99/96/93/486999693.db2.gz ZKJAVVCQKFZIAY-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C(=O)c1ccn(C)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290808 487033639 /nfs/dbraw/zinc/03/36/39/487033639.db2.gz QNZPQCSNBNGYDW-QZTJIDSGSA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1ccn(C)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290808 487033642 /nfs/dbraw/zinc/03/36/42/487033642.db2.gz QNZPQCSNBNGYDW-QZTJIDSGSA-N 2 2 347.507 1.829 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)sc2n1 ZINC000322138121 487039815 /nfs/dbraw/zinc/03/98/15/487039815.db2.gz VUGZOCZPTGNDJX-QWHCGFSZSA-N 2 2 333.461 1.423 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)sc2n1 ZINC000322138121 487039821 /nfs/dbraw/zinc/03/98/21/487039821.db2.gz VUGZOCZPTGNDJX-QWHCGFSZSA-N 2 2 333.461 1.423 20 0 EDADLP COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668075304 487090558 /nfs/dbraw/zinc/09/05/58/487090558.db2.gz OJEFHYYGTHWDBA-QAPCUYQASA-N 2 2 346.431 1.113 20 0 EDADLP COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668075304 487090562 /nfs/dbraw/zinc/09/05/62/487090562.db2.gz OJEFHYYGTHWDBA-QAPCUYQASA-N 2 2 346.431 1.113 20 0 EDADLP C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677884977 487191268 /nfs/dbraw/zinc/19/12/68/487191268.db2.gz ZCDYZMZLFUQHGF-CVEARBPZSA-N 2 2 341.463 1.125 20 0 EDADLP OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000677983683 487219162 /nfs/dbraw/zinc/21/91/62/487219162.db2.gz BXLLCBHKELPJTQ-KRWDZBQOSA-N 2 2 334.851 1.888 20 0 EDADLP COc1ccc(C2([NH2+]CC(=O)N3CC[NH+](C)CC3)CCOCC2)cc1 ZINC000678521321 487326369 /nfs/dbraw/zinc/32/63/69/487326369.db2.gz CZTHJTRWQPYPIO-UHFFFAOYSA-N 2 2 347.459 1.065 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682609240 487396743 /nfs/dbraw/zinc/39/67/43/487396743.db2.gz INQOPZJANNLSMD-MRXNPFEDSA-N 2 2 339.443 1.621 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000675278364 487394758 /nfs/dbraw/zinc/39/47/58/487394758.db2.gz HHSLGHBWZYCYTJ-QGZVFWFLSA-N 2 2 334.464 1.767 20 0 EDADLP CCN(C)c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000682941728 487433469 /nfs/dbraw/zinc/43/34/69/487433469.db2.gz CQGDJSMPGYPWCG-SFHVURJKSA-N 2 2 347.507 1.034 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000675720170 487438562 /nfs/dbraw/zinc/43/85/62/487438562.db2.gz VKQLTCBXUPMXGS-CYBMUJFWSA-N 2 2 332.439 1.842 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000675720170 487438563 /nfs/dbraw/zinc/43/85/63/487438563.db2.gz VKQLTCBXUPMXGS-CYBMUJFWSA-N 2 2 332.439 1.842 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000675744520 487440647 /nfs/dbraw/zinc/44/06/47/487440647.db2.gz GCUJNOALRNPZLZ-KRWDZBQOSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000675837578 487450063 /nfs/dbraw/zinc/45/00/63/487450063.db2.gz AAZQWPUFURCJAP-AOIWGVFYSA-N 2 2 333.476 1.935 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000675837578 487450066 /nfs/dbraw/zinc/45/00/66/487450066.db2.gz AAZQWPUFURCJAP-AOIWGVFYSA-N 2 2 333.476 1.935 20 0 EDADLP CC1(C)C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000669532299 485507199 /nfs/dbraw/zinc/50/71/99/485507199.db2.gz OCARLEHFCUKVCI-HNNXBMFYSA-N 2 2 332.448 1.277 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000669548299 485539632 /nfs/dbraw/zinc/53/96/32/485539632.db2.gz QKUAMZNOMUMFEN-CQDKDKBSSA-N 2 2 340.855 1.358 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669548299 485539638 /nfs/dbraw/zinc/53/96/38/485539638.db2.gz QKUAMZNOMUMFEN-CQDKDKBSSA-N 2 2 340.855 1.358 20 0 EDADLP Cn1cc[nH+]c1C[C@H](NC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000608726171 485542462 /nfs/dbraw/zinc/54/24/62/485542462.db2.gz BQRCWKYELULOER-INIZCTEOSA-N 2 2 327.432 1.661 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC[NH2+]C3CC3)c[nH+]2)C[C@H](C)O1 ZINC000669162156 485747381 /nfs/dbraw/zinc/74/73/81/485747381.db2.gz LDGBZYFMKKTMTM-OKILXGFUSA-N 2 2 347.463 1.246 20 0 EDADLP COCC1(C2CCC2)C[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000668514177 485830502 /nfs/dbraw/zinc/83/05/02/485830502.db2.gz ZHXDLXNKOWDVIP-UHFFFAOYSA-N 2 2 345.491 1.477 20 0 EDADLP CN(C)C(=O)CN(CC[NH+](C)C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000668557891 485889422 /nfs/dbraw/zinc/88/94/22/485889422.db2.gz BSLAOUFJZDKCSC-UHFFFAOYSA-N 2 2 343.475 1.383 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CCC[NH2+]CC1 ZINC000668608467 485943311 /nfs/dbraw/zinc/94/33/11/485943311.db2.gz FULVUAFXVQQYJA-ZWKOTPCHSA-N 2 2 346.475 1.329 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CCC[NH2+]CC1 ZINC000668608467 485943321 /nfs/dbraw/zinc/94/33/21/485943321.db2.gz FULVUAFXVQQYJA-ZWKOTPCHSA-N 2 2 346.475 1.329 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000344631653 485951061 /nfs/dbraw/zinc/95/10/61/485951061.db2.gz RIPALEKMAJRZQK-SJORKVTESA-N 2 2 346.475 1.863 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nc4cnccc4s3)C2)CC1 ZINC000668640445 485983574 /nfs/dbraw/zinc/98/35/74/485983574.db2.gz RLOMUWQWNLXCPV-LBPRGKRZSA-N 2 2 345.472 1.590 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nc4cnccc4s3)C2)CC1 ZINC000668640445 485983579 /nfs/dbraw/zinc/98/35/79/485983579.db2.gz RLOMUWQWNLXCPV-LBPRGKRZSA-N 2 2 345.472 1.590 20 0 EDADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000574986930 486002770 /nfs/dbraw/zinc/00/27/70/486002770.db2.gz QIEBHSNXFYTPPN-QGZVFWFLSA-N 2 2 325.884 1.770 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000574986930 486002779 /nfs/dbraw/zinc/00/27/79/486002779.db2.gz QIEBHSNXFYTPPN-QGZVFWFLSA-N 2 2 325.884 1.770 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000669386345 486021386 /nfs/dbraw/zinc/02/13/86/486021386.db2.gz CFXCRZHMZACTAE-MSOLQXFVSA-N 2 2 339.443 1.825 20 0 EDADLP COc1cc2c(c(C[NH2+]C3(CCO)CC[NH+](C)CC3)c1)O[C@H](C)C2 ZINC000515670800 486060699 /nfs/dbraw/zinc/06/06/99/486060699.db2.gz XMBCPWWKSFOLCB-CQSZACIVSA-N 2 2 334.460 1.955 20 0 EDADLP CC(C)[NH+]1CCN(CCCN2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000669687485 486072003 /nfs/dbraw/zinc/07/20/03/486072003.db2.gz QDYGSPDTXLAMIR-LJQANCHMSA-N 2 2 338.540 1.199 20 0 EDADLP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000669687485 486072009 /nfs/dbraw/zinc/07/20/09/486072009.db2.gz QDYGSPDTXLAMIR-LJQANCHMSA-N 2 2 338.540 1.199 20 0 EDADLP Cc1ccc2c(CCNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c[nH]c2c1 ZINC000669433825 486193742 /nfs/dbraw/zinc/19/37/42/486193742.db2.gz LLBOKAPICGMZFS-HNNXBMFYSA-N 2 2 329.448 1.303 20 0 EDADLP Cc1ccc2c(CCNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c[nH]c2c1 ZINC000669433825 486193748 /nfs/dbraw/zinc/19/37/48/486193748.db2.gz LLBOKAPICGMZFS-HNNXBMFYSA-N 2 2 329.448 1.303 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCc1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000669463923 486216236 /nfs/dbraw/zinc/21/62/36/486216236.db2.gz GEGIULDBCNLJQU-UONOGXRCSA-N 2 2 332.448 1.198 20 0 EDADLP C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000133771303 491222034 /nfs/dbraw/zinc/22/20/34/491222034.db2.gz MOIMGNNEHXYERQ-GDBMZVCRSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000133771303 491222036 /nfs/dbraw/zinc/22/20/36/491222036.db2.gz MOIMGNNEHXYERQ-GDBMZVCRSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000078755291 491002485 /nfs/dbraw/zinc/00/24/85/491002485.db2.gz LHQFJTHILHHAHI-HNNXBMFYSA-N 2 2 334.464 1.201 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)[NH+](C)C ZINC000078755291 491002486 /nfs/dbraw/zinc/00/24/86/491002486.db2.gz LHQFJTHILHHAHI-HNNXBMFYSA-N 2 2 334.464 1.201 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@@H](O)C3CC3)CC2)c1 ZINC000304778665 491005783 /nfs/dbraw/zinc/00/57/83/491005783.db2.gz JPVZCFARPOEVSQ-LJQANCHMSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@@H](O)C3CC3)CC2)c1 ZINC000304778665 491005784 /nfs/dbraw/zinc/00/57/84/491005784.db2.gz JPVZCFARPOEVSQ-LJQANCHMSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NC/C=C/C[NH3+])[NH+]2CCOCC2)c1 ZINC000669276679 491019875 /nfs/dbraw/zinc/01/98/75/491019875.db2.gz UICNTNVMMRZLTM-YATRRXNKSA-N 2 2 332.448 1.182 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000654734148 491169900 /nfs/dbraw/zinc/16/99/00/491169900.db2.gz BMOUHQUUGCLSBW-VQHPVUNQSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000654734148 491169905 /nfs/dbraw/zinc/16/99/05/491169905.db2.gz BMOUHQUUGCLSBW-VQHPVUNQSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000654734148 491169910 /nfs/dbraw/zinc/16/99/10/491169910.db2.gz BMOUHQUUGCLSBW-VQHPVUNQSA-N 2 2 336.480 1.118 20 0 EDADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178513887 534537949 /nfs/dbraw/zinc/53/79/49/534537949.db2.gz RMUYYEZADDTHFZ-QGZVFWFLSA-N 2 2 328.416 1.449 20 0 EDADLP CC1CC[NH+](CC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000155028898 528228427 /nfs/dbraw/zinc/22/84/27/528228427.db2.gz BWBPGPCZCJIWCY-SFHVURJKSA-N 2 2 336.524 1.347 20 0 EDADLP CC1CC[NH+](CC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)CC1 ZINC000155028898 528228440 /nfs/dbraw/zinc/22/84/40/528228440.db2.gz BWBPGPCZCJIWCY-SFHVURJKSA-N 2 2 336.524 1.347 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2nccs2)[C@H](C)C1 ZINC000187011492 528664597 /nfs/dbraw/zinc/66/45/97/528664597.db2.gz FGZLSWPLWQZMDL-ZIAGYGMSSA-N 2 2 340.493 1.808 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2nccs2)[C@H](C)C1 ZINC000187011492 528664599 /nfs/dbraw/zinc/66/45/99/528664599.db2.gz FGZLSWPLWQZMDL-ZIAGYGMSSA-N 2 2 340.493 1.808 20 0 EDADLP CC(C)N(C)C(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352725016 534964032 /nfs/dbraw/zinc/96/40/32/534964032.db2.gz KVYIORBXKXGNGL-UHFFFAOYSA-N 2 2 346.519 1.603 20 0 EDADLP CC(C)N(C)C(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352725016 534964040 /nfs/dbraw/zinc/96/40/40/534964040.db2.gz KVYIORBXKXGNGL-UHFFFAOYSA-N 2 2 346.519 1.603 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C1(C[NH3+])CCOCC1)C2 ZINC000262290471 535136581 /nfs/dbraw/zinc/13/65/81/535136581.db2.gz OQYCYOYXKZVCAA-ZDUSSCGKSA-N 2 2 334.464 1.367 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000332461221 535157927 /nfs/dbraw/zinc/15/79/27/535157927.db2.gz HTRJNJDTVCIHKG-UHFFFAOYSA-N 2 2 331.460 1.739 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000332461221 535157929 /nfs/dbraw/zinc/15/79/29/535157929.db2.gz HTRJNJDTVCIHKG-UHFFFAOYSA-N 2 2 331.460 1.739 20 0 EDADLP CCN(CC)C(=O)CN(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000261762264 535427936 /nfs/dbraw/zinc/42/79/36/535427936.db2.gz NBTNEHXVMNDXKR-MRXNPFEDSA-N 2 2 347.507 1.716 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000340184121 535740547 /nfs/dbraw/zinc/74/05/47/535740547.db2.gz PXQQRXFVIHWFHI-HIFRSBDPSA-N 2 2 334.493 1.571 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352766597 536056665 /nfs/dbraw/zinc/05/66/65/536056665.db2.gz YHEOYWKLYRZDFE-UHFFFAOYSA-N 2 2 332.473 1.953 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@@H]1C ZINC000347083714 536159280 /nfs/dbraw/zinc/15/92/80/536159280.db2.gz LIJTVJOCISKRJH-GOEBONIOSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@@H]1C ZINC000347083714 536159283 /nfs/dbraw/zinc/15/92/83/536159283.db2.gz LIJTVJOCISKRJH-GOEBONIOSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000265249584 536159422 /nfs/dbraw/zinc/15/94/22/536159422.db2.gz AQGRDBQWSMSQEN-HNNXBMFYSA-N 2 2 344.459 1.778 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000265249584 536159427 /nfs/dbraw/zinc/15/94/27/536159427.db2.gz AQGRDBQWSMSQEN-HNNXBMFYSA-N 2 2 344.459 1.778 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245963005 536163429 /nfs/dbraw/zinc/16/34/29/536163429.db2.gz MVGWSHNXLWFDQE-SZNINPNASA-N 2 2 336.524 1.532 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245963005 536163434 /nfs/dbraw/zinc/16/34/34/536163434.db2.gz MVGWSHNXLWFDQE-SZNINPNASA-N 2 2 336.524 1.532 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245963005 536163439 /nfs/dbraw/zinc/16/34/39/536163439.db2.gz MVGWSHNXLWFDQE-SZNINPNASA-N 2 2 336.524 1.532 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245963005 536163442 /nfs/dbraw/zinc/16/34/42/536163442.db2.gz MVGWSHNXLWFDQE-SZNINPNASA-N 2 2 336.524 1.532 20 0 EDADLP COc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc(OC)c1OC ZINC000353359676 536745022 /nfs/dbraw/zinc/74/50/22/536745022.db2.gz CEUMAHWOINTFIO-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP COc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc(OC)c1OC ZINC000353359676 536745026 /nfs/dbraw/zinc/74/50/26/536745026.db2.gz CEUMAHWOINTFIO-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000729928047 578597931 /nfs/dbraw/zinc/59/79/31/578597931.db2.gz XGVPQDDGLUEGLB-GOSISDBHSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000729928047 578597932 /nfs/dbraw/zinc/59/79/32/578597932.db2.gz XGVPQDDGLUEGLB-GOSISDBHSA-N 2 2 336.476 1.432 20 0 EDADLP COCC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)C[NH+]1CCCC1 ZINC000732410469 578711051 /nfs/dbraw/zinc/71/10/51/578711051.db2.gz AYNYFGYWUNENHJ-MRXNPFEDSA-N 2 2 336.432 1.320 20 0 EDADLP COCC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)C[NH+]1CCCC1 ZINC000732410469 578711052 /nfs/dbraw/zinc/71/10/52/578711052.db2.gz AYNYFGYWUNENHJ-MRXNPFEDSA-N 2 2 336.432 1.320 20 0 EDADLP Cc1nn(C)c(C)c1C[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000733996493 578792806 /nfs/dbraw/zinc/79/28/06/578792806.db2.gz UKEMGTSNNPDJLQ-UHFFFAOYSA-N 2 2 335.496 1.458 20 0 EDADLP Cc1nn(C)c(C)c1C[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000733996493 578792807 /nfs/dbraw/zinc/79/28/07/578792807.db2.gz UKEMGTSNNPDJLQ-UHFFFAOYSA-N 2 2 335.496 1.458 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[N@H+](C[C@H](O)c2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000735278323 578873306 /nfs/dbraw/zinc/87/33/06/578873306.db2.gz DLKQFOQNGPOASP-NZSAHSFTSA-N 2 2 347.503 1.839 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[N@@H+](C[C@H](O)c2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000735278323 578873307 /nfs/dbraw/zinc/87/33/07/578873307.db2.gz DLKQFOQNGPOASP-NZSAHSFTSA-N 2 2 347.503 1.839 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736980313 579037959 /nfs/dbraw/zinc/03/79/59/579037959.db2.gz CKDOTDMRCLOUDK-UHFFFAOYSA-N 2 2 330.436 1.457 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CN1CC2(CCCC2)CC1=O ZINC000746649723 579605029 /nfs/dbraw/zinc/60/50/29/579605029.db2.gz OXIANLWZOBGENA-BRWVUGGUSA-N 2 2 335.492 1.920 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CN1CC2(CCCC2)CC1=O ZINC000746649723 579605030 /nfs/dbraw/zinc/60/50/30/579605030.db2.gz OXIANLWZOBGENA-BRWVUGGUSA-N 2 2 335.492 1.920 20 0 EDADLP COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)cc(OC)c1 ZINC000747620999 579651184 /nfs/dbraw/zinc/65/11/84/579651184.db2.gz LTBFCXRHDOCDFM-UHFFFAOYSA-N 2 2 343.431 1.707 20 0 EDADLP Cc1cc(C(N)=O)ccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000748943485 579707491 /nfs/dbraw/zinc/70/74/91/579707491.db2.gz ULWDEGHBBYFUTJ-UHFFFAOYSA-N 2 2 347.463 1.241 20 0 EDADLP c1cc(N2CCCC2)nc(N2CCC(C[NH+]3CCOCC3)CC2)[nH+]1 ZINC000749271479 579719973 /nfs/dbraw/zinc/71/99/73/579719973.db2.gz XFRNECIGVBVVQB-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCC1 ZINC000753078388 579871979 /nfs/dbraw/zinc/87/19/79/579871979.db2.gz KSTBWKGQMBKZTO-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP CC(C)C[C@@H]1CCC(=O)N(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000755789456 579935172 /nfs/dbraw/zinc/93/51/72/579935172.db2.gz NGWIZBWBMAYKSZ-LSDHHAIUSA-N 2 2 332.448 1.978 20 0 EDADLP CC(C)C[C@@H]1CCC(=O)N(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000755789456 579935173 /nfs/dbraw/zinc/93/51/73/579935173.db2.gz NGWIZBWBMAYKSZ-LSDHHAIUSA-N 2 2 332.448 1.978 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000755792776 579935383 /nfs/dbraw/zinc/93/53/83/579935383.db2.gz WTJYJRKTRFMBQY-MLGOLLRUSA-N 2 2 334.445 1.049 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000755792776 579935384 /nfs/dbraw/zinc/93/53/84/579935384.db2.gz WTJYJRKTRFMBQY-MLGOLLRUSA-N 2 2 334.445 1.049 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CCO1 ZINC000757637507 579969407 /nfs/dbraw/zinc/96/94/07/579969407.db2.gz DOMYVYNZZRYLFP-YOEHRIQHSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CCO1 ZINC000757637507 579969408 /nfs/dbraw/zinc/96/94/08/579969408.db2.gz DOMYVYNZZRYLFP-YOEHRIQHSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCO1 ZINC000757637507 579969409 /nfs/dbraw/zinc/96/94/09/579969409.db2.gz DOMYVYNZZRYLFP-YOEHRIQHSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCO1 ZINC000757637507 579969410 /nfs/dbraw/zinc/96/94/10/579969410.db2.gz DOMYVYNZZRYLFP-YOEHRIQHSA-N 2 2 332.448 1.193 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@](C)(c3ccccn3)CC2=O)C1 ZINC000758241357 579978184 /nfs/dbraw/zinc/97/81/84/579978184.db2.gz UIBUNEQZKUARMQ-SQGPQFPESA-N 2 2 342.487 1.945 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@](C)(c3ccccn3)CC2=O)C1 ZINC000758241357 579978185 /nfs/dbraw/zinc/97/81/85/579978185.db2.gz UIBUNEQZKUARMQ-SQGPQFPESA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C[C@](C)(c3ccccn3)CC2=O)C1 ZINC000758241357 579978186 /nfs/dbraw/zinc/97/81/86/579978186.db2.gz UIBUNEQZKUARMQ-SQGPQFPESA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C[C@](C)(c3ccccn3)CC2=O)C1 ZINC000758241357 579978187 /nfs/dbraw/zinc/97/81/87/579978187.db2.gz UIBUNEQZKUARMQ-SQGPQFPESA-N 2 2 342.487 1.945 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000762073312 580066299 /nfs/dbraw/zinc/06/62/99/580066299.db2.gz ILYAWNWJOMKRBN-SFHVURJKSA-N 2 2 347.463 1.836 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000762073312 580066300 /nfs/dbraw/zinc/06/63/00/580066300.db2.gz ILYAWNWJOMKRBN-SFHVURJKSA-N 2 2 347.463 1.836 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)C(C)(C)C2(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763335528 580098039 /nfs/dbraw/zinc/09/80/39/580098039.db2.gz LSNRTNXVKFMPSV-HZPDHXFCSA-N 2 2 336.524 1.549 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)C(C)(C)C2(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763335528 580098040 /nfs/dbraw/zinc/09/80/40/580098040.db2.gz LSNRTNXVKFMPSV-HZPDHXFCSA-N 2 2 336.524 1.549 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)c1 ZINC000770419227 580260012 /nfs/dbraw/zinc/26/00/12/580260012.db2.gz YCSCIVCPBGOJMD-UHFFFAOYSA-N 2 2 337.383 1.700 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000771667507 580291999 /nfs/dbraw/zinc/29/19/99/580291999.db2.gz KEZFAUXOMUUSBY-UHFFFAOYSA-N 2 2 337.378 1.410 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000771667507 580292000 /nfs/dbraw/zinc/29/20/00/580292000.db2.gz KEZFAUXOMUUSBY-UHFFFAOYSA-N 2 2 337.378 1.410 20 0 EDADLP CC(C)COC(=O)CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000776590420 580422858 /nfs/dbraw/zinc/42/28/58/580422858.db2.gz DSWNVINSAWPOCO-UHFFFAOYSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC(=O)N(C)C[C@H]3C)c2cc1C ZINC000782585019 580578847 /nfs/dbraw/zinc/57/88/47/580578847.db2.gz LVEQDPGXEZLBRP-HUUCEWRRSA-N 2 2 330.432 1.177 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC(=O)N(C)C[C@H]3C)c2cc1C ZINC000782585019 580578848 /nfs/dbraw/zinc/57/88/48/580578848.db2.gz LVEQDPGXEZLBRP-HUUCEWRRSA-N 2 2 330.432 1.177 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C[C@H]1C ZINC000784968428 580633165 /nfs/dbraw/zinc/63/31/65/580633165.db2.gz ZWYZRMYZYXSHFH-KGLIPLIRSA-N 2 2 347.463 1.336 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C[C@H]1C ZINC000784968428 580633166 /nfs/dbraw/zinc/63/31/66/580633166.db2.gz ZWYZRMYZYXSHFH-KGLIPLIRSA-N 2 2 347.463 1.336 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC(C)(C)C2CCOCC2)CC1 ZINC000787299064 580692198 /nfs/dbraw/zinc/69/21/98/580692198.db2.gz WOLMGSXWFLYNEE-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@@H](OC(F)F)C1)C[NH+]1CCC2CC1 ZINC000790375359 580767854 /nfs/dbraw/zinc/76/78/54/580767854.db2.gz TXLLVNBALQXQHQ-CJNGLKHVSA-N 2 2 345.390 1.564 20 0 EDADLP c1nncn1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000795698672 580934635 /nfs/dbraw/zinc/93/46/35/580934635.db2.gz IELYSUBWAYQNSN-GOSISDBHSA-N 2 2 326.448 1.128 20 0 EDADLP c1nncn1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000795698672 580934636 /nfs/dbraw/zinc/93/46/36/580934636.db2.gz IELYSUBWAYQNSN-GOSISDBHSA-N 2 2 326.448 1.128 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000796291073 580950120 /nfs/dbraw/zinc/95/01/20/580950120.db2.gz SRIZGOUITKVUDP-UHFFFAOYSA-N 3 2 325.526 1.322 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000796291073 580950121 /nfs/dbraw/zinc/95/01/21/580950121.db2.gz SRIZGOUITKVUDP-UHFFFAOYSA-N 3 2 325.526 1.322 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000799311129 581025001 /nfs/dbraw/zinc/02/50/01/581025001.db2.gz NMZCVXTYRUCNPN-FHLIZLRMSA-N 2 2 336.455 1.212 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000799311129 581025002 /nfs/dbraw/zinc/02/50/02/581025002.db2.gz NMZCVXTYRUCNPN-FHLIZLRMSA-N 2 2 336.455 1.212 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@@H](C(F)F)C3)c2cc1C ZINC000801565678 581080135 /nfs/dbraw/zinc/08/01/35/581080135.db2.gz HEQMUXFEVLZIMS-XJKSGUPXSA-N 2 2 339.386 1.980 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@@H](C(F)F)C3)c2cc1C ZINC000801565678 581080136 /nfs/dbraw/zinc/08/01/36/581080136.db2.gz HEQMUXFEVLZIMS-XJKSGUPXSA-N 2 2 339.386 1.980 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000891826354 590640245 /nfs/dbraw/zinc/64/02/45/590640245.db2.gz PRWXLFUROCTQIC-OAHLLOKOSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000891826354 590640247 /nfs/dbraw/zinc/64/02/47/590640247.db2.gz PRWXLFUROCTQIC-OAHLLOKOSA-N 2 2 331.464 1.965 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@H](C)N2CC[NH+](CC)CC2)nc[nH+]1 ZINC000891829632 590641093 /nfs/dbraw/zinc/64/10/93/590641093.db2.gz OPDGBMFOEQEXEL-GJZGRUSLSA-N 2 2 336.484 1.097 20 0 EDADLP O=C(NCC1CC[NH2+]CC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000891977159 590719025 /nfs/dbraw/zinc/71/90/25/590719025.db2.gz XPDXPXFUVNNGEI-QGZVFWFLSA-N 2 2 327.432 1.923 20 0 EDADLP CN1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)Cc2ccc[nH+]c21 ZINC000892006741 590740501 /nfs/dbraw/zinc/74/05/01/590740501.db2.gz MEWNZYKTTWVFKU-INIZCTEOSA-N 2 2 331.464 1.951 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H](C)C[NH3+])C2)cc1 ZINC000892043954 590769078 /nfs/dbraw/zinc/76/90/78/590769078.db2.gz DRRMQBLRWKZMRN-DOTOQJQBSA-N 2 2 334.464 1.090 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H](C)C[NH3+])C2)cc1 ZINC000892043954 590769080 /nfs/dbraw/zinc/76/90/80/590769080.db2.gz DRRMQBLRWKZMRN-DOTOQJQBSA-N 2 2 334.464 1.090 20 0 EDADLP C[C@H]1C[N@H+](Cc2c3c(nn2C)CCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892151781 590824940 /nfs/dbraw/zinc/82/49/40/590824940.db2.gz BKRVPWIQLCPJKE-YJBOKZPZSA-N 2 2 331.508 1.367 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000892176506 590846477 /nfs/dbraw/zinc/84/64/77/590846477.db2.gz VQZORDMFZSQQDG-GUTXKFCHSA-N 2 2 344.297 1.398 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2C[C@]2(C)Br)CC1 ZINC000892176506 590846480 /nfs/dbraw/zinc/84/64/80/590846480.db2.gz VQZORDMFZSQQDG-GUTXKFCHSA-N 2 2 344.297 1.398 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C4CCC3(C[NH3+])CC4)cn21 ZINC000892214229 590868185 /nfs/dbraw/zinc/86/81/85/590868185.db2.gz OXRVHYLNWYNVOK-UHFFFAOYSA-N 2 2 327.432 1.851 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000892255786 590888948 /nfs/dbraw/zinc/88/89/48/590888948.db2.gz TYRCJOGBJPSPMD-HUUCEWRRSA-N 2 2 331.395 1.836 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892265356 590898711 /nfs/dbraw/zinc/89/87/11/590898711.db2.gz NXJDPWCYWICIQO-QGZVFWFLSA-N 2 2 347.507 1.229 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892265356 590898715 /nfs/dbraw/zinc/89/87/15/590898715.db2.gz NXJDPWCYWICIQO-QGZVFWFLSA-N 2 2 347.507 1.229 20 0 EDADLP [NH3+][C@H](CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000892410178 591016970 /nfs/dbraw/zinc/01/69/70/591016970.db2.gz IGCCNCKOAICKBS-QZTJIDSGSA-N 2 2 346.475 1.063 20 0 EDADLP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893660389 591038189 /nfs/dbraw/zinc/03/81/89/591038189.db2.gz CHUSKTVUXDLNGB-SQRWCISFSA-N 2 2 341.496 1.892 20 0 EDADLP COCCC1(NC(=O)NCc2ccc[nH+]c2N(C)C)CC[NH2+]CC1 ZINC000891347197 591053175 /nfs/dbraw/zinc/05/31/75/591053175.db2.gz HUZOYDMGCAGRDO-UHFFFAOYSA-N 2 2 335.452 1.106 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892513802 591054509 /nfs/dbraw/zinc/05/45/09/591054509.db2.gz KZAVLBKNVWUMSU-TZMCWYRMSA-N 2 2 335.477 1.266 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000892610182 591093993 /nfs/dbraw/zinc/09/39/93/591093993.db2.gz ANQWVPMOHMHCNE-MJGOQNOKSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000892610182 591093998 /nfs/dbraw/zinc/09/39/98/591093998.db2.gz ANQWVPMOHMHCNE-MJGOQNOKSA-N 2 2 346.475 1.247 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000891561134 591126047 /nfs/dbraw/zinc/12/60/47/591126047.db2.gz URVPGOSCMWQUBG-JKSUJKDBSA-N 3 2 337.512 1.068 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000891561134 591126049 /nfs/dbraw/zinc/12/60/49/591126049.db2.gz URVPGOSCMWQUBG-JKSUJKDBSA-N 3 2 337.512 1.068 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@H]2C1 ZINC000892731259 591151342 /nfs/dbraw/zinc/15/13/42/591151342.db2.gz OFOYBUHXVNYVQN-MNOVXSKESA-N 2 2 331.342 1.291 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@H]2C1 ZINC000892731259 591151344 /nfs/dbraw/zinc/15/13/44/591151344.db2.gz OFOYBUHXVNYVQN-MNOVXSKESA-N 2 2 331.342 1.291 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000892756668 591162129 /nfs/dbraw/zinc/16/21/29/591162129.db2.gz DCKFVEFEAFGEAW-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000892756668 591162130 /nfs/dbraw/zinc/16/21/30/591162130.db2.gz DCKFVEFEAFGEAW-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000891728495 591201299 /nfs/dbraw/zinc/20/12/99/591201299.db2.gz DAWJQBFNIBFBMQ-UDNPPVAFSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000891728495 591201300 /nfs/dbraw/zinc/20/13/00/591201300.db2.gz DAWJQBFNIBFBMQ-UDNPPVAFSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)[C@H]2C1 ZINC000891740185 591205410 /nfs/dbraw/zinc/20/54/10/591205410.db2.gz RAAJAJGKSFWWCE-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)[C@H]2C1 ZINC000891740185 591205412 /nfs/dbraw/zinc/20/54/12/591205412.db2.gz RAAJAJGKSFWWCE-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000891784138 591223650 /nfs/dbraw/zinc/22/36/50/591223650.db2.gz SZSFKFJAMGUVGX-KBPBESRZSA-N 3 2 326.408 1.871 20 0 EDADLP CC1(C)COC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000894206454 591228625 /nfs/dbraw/zinc/22/86/25/591228625.db2.gz ITEOLQIVNJVYPW-SFHVURJKSA-N 2 2 334.460 1.912 20 0 EDADLP Cc1[nH+]ccn1CC[NH2+]Cc1c(I)cnn1C ZINC000894211166 591232446 /nfs/dbraw/zinc/23/24/46/591232446.db2.gz NAKVRXNRZDXXQN-UHFFFAOYSA-N 2 2 345.188 1.319 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cs1 ZINC000894230144 591238011 /nfs/dbraw/zinc/23/80/11/591238011.db2.gz PWXSSYOCXDOOQJ-UHFFFAOYSA-N 2 2 339.461 1.177 20 0 EDADLP C[C@H](Cc1cccnc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021399 591257375 /nfs/dbraw/zinc/25/73/75/591257375.db2.gz FCNKSHWHAZGWHS-NVXWUHKLSA-N 2 2 345.491 1.480 20 0 EDADLP C[C@H](Cc1cccnc1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021399 591257377 /nfs/dbraw/zinc/25/73/77/591257377.db2.gz FCNKSHWHAZGWHS-NVXWUHKLSA-N 2 2 345.491 1.480 20 0 EDADLP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893025421 591258850 /nfs/dbraw/zinc/25/88/50/591258850.db2.gz ZYDBDMBQVGLEJX-INIZCTEOSA-N 3 2 339.528 1.232 20 0 EDADLP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893025421 591258852 /nfs/dbraw/zinc/25/88/52/591258852.db2.gz ZYDBDMBQVGLEJX-INIZCTEOSA-N 3 2 339.528 1.232 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000894513361 591328681 /nfs/dbraw/zinc/32/86/81/591328681.db2.gz IQRLLRIPQRHJBZ-UHFFFAOYSA-N 2 2 339.480 1.912 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[nH]n1 ZINC000898438690 591348820 /nfs/dbraw/zinc/34/88/20/591348820.db2.gz IEEAVMCSOKOMRB-XYPHTWIQSA-N 2 2 331.464 1.923 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[nH]n1 ZINC000898438690 591348822 /nfs/dbraw/zinc/34/88/22/591348822.db2.gz IEEAVMCSOKOMRB-XYPHTWIQSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000898438690 591348826 /nfs/dbraw/zinc/34/88/26/591348826.db2.gz IEEAVMCSOKOMRB-XYPHTWIQSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]n1 ZINC000898438690 591348830 /nfs/dbraw/zinc/34/88/30/591348830.db2.gz IEEAVMCSOKOMRB-XYPHTWIQSA-N 2 2 331.464 1.923 20 0 EDADLP O=c1[nH]c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2[nH]1 ZINC000894673767 591386541 /nfs/dbraw/zinc/38/65/41/591386541.db2.gz ZPERSLXRGCVLSD-HNNXBMFYSA-N 2 2 330.432 1.813 20 0 EDADLP O=c1[nH]c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2[nH]1 ZINC000894673767 591386545 /nfs/dbraw/zinc/38/65/45/591386545.db2.gz ZPERSLXRGCVLSD-HNNXBMFYSA-N 2 2 330.432 1.813 20 0 EDADLP CN1CCN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)CC[N@@H+](C)CC1 ZINC000896241300 591397969 /nfs/dbraw/zinc/39/79/69/591397969.db2.gz XUUKOAJHRPWJFN-SFHVURJKSA-N 2 2 345.491 1.062 20 0 EDADLP CN1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC[NH+](C)CC1 ZINC000896241300 591397974 /nfs/dbraw/zinc/39/79/74/591397974.db2.gz XUUKOAJHRPWJFN-SFHVURJKSA-N 2 2 345.491 1.062 20 0 EDADLP CN1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC[NH+](C)CC1 ZINC000896241300 591397979 /nfs/dbraw/zinc/39/79/79/591397979.db2.gz XUUKOAJHRPWJFN-SFHVURJKSA-N 2 2 345.491 1.062 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000898668810 591466765 /nfs/dbraw/zinc/46/67/65/591466765.db2.gz KOFXKGCZCAEPIP-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000898668810 591466782 /nfs/dbraw/zinc/46/67/82/591466782.db2.gz KOFXKGCZCAEPIP-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP Cc1ccc(NCCNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)[nH+]c1 ZINC000896455382 591472103 /nfs/dbraw/zinc/47/21/03/591472103.db2.gz FXVDSCHWPZMHMS-GJZGRUSLSA-N 2 2 342.447 1.911 20 0 EDADLP Cc1ccc(NCCNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)[nH+]c1 ZINC000896455382 591472106 /nfs/dbraw/zinc/47/21/06/591472106.db2.gz FXVDSCHWPZMHMS-GJZGRUSLSA-N 2 2 342.447 1.911 20 0 EDADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)C1 ZINC000898719203 591483801 /nfs/dbraw/zinc/48/38/01/591483801.db2.gz CUQOXZPFXPUIOG-GMTAPVOTSA-N 2 2 342.237 1.892 20 0 EDADLP COCCOC[C@H](C)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898716968 591488011 /nfs/dbraw/zinc/48/80/11/591488011.db2.gz BOKWMIPJROHUDE-QWRGUYRKSA-N 2 2 332.242 1.602 20 0 EDADLP Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000896519346 591489504 /nfs/dbraw/zinc/48/95/04/591489504.db2.gz VAODEVVWDPJFJW-KRWDZBQOSA-N 2 2 339.443 1.934 20 0 EDADLP Cc1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000896519346 591489507 /nfs/dbraw/zinc/48/95/07/591489507.db2.gz VAODEVVWDPJFJW-KRWDZBQOSA-N 2 2 339.443 1.934 20 0 EDADLP O=S1(=O)CCC[C@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)C1 ZINC000898725240 591490792 /nfs/dbraw/zinc/49/07/92/591490792.db2.gz SANASEXXSVPOIT-UWVGGRQHSA-N 2 2 348.266 1.127 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897500580 591503614 /nfs/dbraw/zinc/50/36/14/591503614.db2.gz GOSSOGAYQPSAOV-MRXNPFEDSA-N 2 2 331.464 1.706 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897500580 591503616 /nfs/dbraw/zinc/50/36/16/591503616.db2.gz GOSSOGAYQPSAOV-MRXNPFEDSA-N 2 2 331.464 1.706 20 0 EDADLP Cn1nccc1[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000897557855 591554016 /nfs/dbraw/zinc/55/40/16/591554016.db2.gz BWENUYKTGSASGS-IBGZPJMESA-N 2 2 344.459 1.934 20 0 EDADLP Cn1nccc1[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000897557855 591554017 /nfs/dbraw/zinc/55/40/17/591554017.db2.gz BWENUYKTGSASGS-IBGZPJMESA-N 2 2 344.459 1.934 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000898891685 591583010 /nfs/dbraw/zinc/58/30/10/591583010.db2.gz JPDXNVOSTNGLIA-DZGCQCFKSA-N 2 2 336.823 1.526 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621938 591591473 /nfs/dbraw/zinc/59/14/73/591591473.db2.gz ZTKSORCPTHQCPR-QFBILLFUSA-N 2 2 331.460 1.537 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621938 591591475 /nfs/dbraw/zinc/59/14/75/591591475.db2.gz ZTKSORCPTHQCPR-QFBILLFUSA-N 2 2 331.460 1.537 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000895147902 591618197 /nfs/dbraw/zinc/61/81/97/591618197.db2.gz XKEDGFQKPSAIOS-OAGGEKHMSA-N 2 2 339.480 1.885 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000898961278 591618341 /nfs/dbraw/zinc/61/83/41/591618341.db2.gz ZIILRCIBHHHHND-KGLIPLIRSA-N 2 2 345.447 1.551 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000898961278 591618345 /nfs/dbraw/zinc/61/83/45/591618345.db2.gz ZIILRCIBHHHHND-KGLIPLIRSA-N 2 2 345.447 1.551 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000897078271 591734887 /nfs/dbraw/zinc/73/48/87/591734887.db2.gz ULFQXSHDSSWFDA-QGTPRVQTSA-N 2 2 349.475 1.570 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000897078271 591734889 /nfs/dbraw/zinc/73/48/89/591734889.db2.gz ULFQXSHDSSWFDA-QGTPRVQTSA-N 2 2 349.475 1.570 20 0 EDADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2cnn[nH]2)c2c1OC(F)(F)O2 ZINC000895378538 591736016 /nfs/dbraw/zinc/73/60/16/591736016.db2.gz GNTBYKLZYUVMJR-UHFFFAOYSA-N 2 2 325.319 1.478 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1F ZINC000897228409 591779087 /nfs/dbraw/zinc/77/90/87/591779087.db2.gz KYMVEVBVNKWNPQ-HNNXBMFYSA-N 2 2 336.407 1.955 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC(CO)([NH2+]CC4CC4)CC3)ccn12 ZINC000898109858 591785736 /nfs/dbraw/zinc/78/57/36/591785736.db2.gz GJLJMYXVMMLJPC-UHFFFAOYSA-N 2 2 342.443 1.609 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)n1C ZINC000898100860 591797297 /nfs/dbraw/zinc/79/72/97/591797297.db2.gz PTHSCGJVFBPUGI-JOCQHMNTSA-N 2 2 337.468 1.879 20 0 EDADLP CCc1nn(C)cc1C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000895551324 591797944 /nfs/dbraw/zinc/79/79/44/591797944.db2.gz NQBSSIGFLVNOIK-UHFFFAOYSA-N 2 2 333.480 1.288 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000898208056 591818603 /nfs/dbraw/zinc/81/86/03/591818603.db2.gz XLNDPVGVPFVBSZ-CABCVRRESA-N 2 2 334.464 1.622 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000899972959 591846264 /nfs/dbraw/zinc/84/62/64/591846264.db2.gz VIKMVUHGLQMTBW-HKUYNNGSSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000899972959 591846266 /nfs/dbraw/zinc/84/62/66/591846266.db2.gz VIKMVUHGLQMTBW-HKUYNNGSSA-N 2 2 331.460 1.094 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000900114484 591903636 /nfs/dbraw/zinc/90/36/36/591903636.db2.gz KLUHQEFNRFWTTB-UHFFFAOYSA-N 2 2 342.447 1.370 20 0 EDADLP C/C(=C/C(=O)NCc1ccc(N2CCCC2)[nH+]c1)C[NH+]1CCOCC1 ZINC000900115939 591905073 /nfs/dbraw/zinc/90/50/73/591905073.db2.gz YDQUCZZXZXRGAZ-VBKFSLOCSA-N 2 2 344.459 1.577 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902171797 591938571 /nfs/dbraw/zinc/93/85/71/591938571.db2.gz CLFKIUCMUZUFKS-IKGGRYGDSA-N 2 2 332.448 1.641 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902171797 591938575 /nfs/dbraw/zinc/93/85/75/591938575.db2.gz CLFKIUCMUZUFKS-IKGGRYGDSA-N 2 2 332.448 1.641 20 0 EDADLP c1cc(N[C@H]2CCCOC2)nc(NCCCCC[NH+]2CCNCC2)[nH+]1 ZINC000900357986 591994169 /nfs/dbraw/zinc/99/41/69/591994169.db2.gz GJMXYYKIVDCWEC-INIZCTEOSA-N 2 2 348.495 1.555 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000900363118 591995606 /nfs/dbraw/zinc/99/56/06/591995606.db2.gz UGFHAJYZSDQCPU-GFCCVEGCSA-N 2 2 332.379 1.810 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000902522776 592010339 /nfs/dbraw/zinc/01/03/39/592010339.db2.gz XULUQQVJAANQHY-WOPDTQHZSA-N 2 2 325.844 1.535 20 0 EDADLP C/C(=C/C(=O)NCCCCNc1cccc[nH+]1)C[NH+]1CCOCC1 ZINC000900587632 592060688 /nfs/dbraw/zinc/06/06/88/592060688.db2.gz ZHHSICPDXCLLAQ-PEZBUJJGSA-N 2 2 332.448 1.668 20 0 EDADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cn(C)nn1 ZINC000902916668 592080973 /nfs/dbraw/zinc/08/09/73/592080973.db2.gz ZIPHGSLIGSNOES-ZDUSSCGKSA-N 2 2 329.452 1.914 20 0 EDADLP COc1cc(CO)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900675834 592091341 /nfs/dbraw/zinc/09/13/41/592091341.db2.gz XGVNKMJCKBESKW-HNNXBMFYSA-N 2 2 347.459 1.086 20 0 EDADLP COc1cc(CO)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900675834 592091344 /nfs/dbraw/zinc/09/13/44/592091344.db2.gz XGVNKMJCKBESKW-HNNXBMFYSA-N 2 2 347.459 1.086 20 0 EDADLP C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693540 592096718 /nfs/dbraw/zinc/09/67/18/592096718.db2.gz WKTVPJNTJSBJIJ-KBXCAEBGSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693540 592096721 /nfs/dbraw/zinc/09/67/21/592096721.db2.gz WKTVPJNTJSBJIJ-KBXCAEBGSA-N 2 2 347.507 1.560 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1nccs1 ZINC000900693497 592097360 /nfs/dbraw/zinc/09/73/60/592097360.db2.gz USDDWTIOFNWOKM-UHFFFAOYSA-N 2 2 338.521 1.905 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1nccs1 ZINC000900693497 592097363 /nfs/dbraw/zinc/09/73/63/592097363.db2.gz USDDWTIOFNWOKM-UHFFFAOYSA-N 2 2 338.521 1.905 20 0 EDADLP C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903048377 592113442 /nfs/dbraw/zinc/11/34/42/592113442.db2.gz MOIFCYXGJXLVKU-CRAIPNDOSA-N 2 2 331.416 1.691 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000900744477 592115898 /nfs/dbraw/zinc/11/58/98/592115898.db2.gz KZLADSPSHMATJK-WMLDXEAASA-N 2 2 328.416 1.219 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000900744477 592115902 /nfs/dbraw/zinc/11/59/02/592115902.db2.gz KZLADSPSHMATJK-WMLDXEAASA-N 2 2 328.416 1.219 20 0 EDADLP Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n[nH]1 ZINC000903136432 592125744 /nfs/dbraw/zinc/12/57/44/592125744.db2.gz YAWIYRIMLSSGPP-DJIMGWMZSA-N 2 2 349.479 1.424 20 0 EDADLP C[NH+](C)CC[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)c1cccnc1 ZINC000903380984 592163732 /nfs/dbraw/zinc/16/37/32/592163732.db2.gz QNAVDIIHCGTIQA-SWKXRBFHSA-N 2 2 345.447 1.185 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903472026 592175866 /nfs/dbraw/zinc/17/58/66/592175866.db2.gz PORHOSHXDVRAQV-MRXNPFEDSA-N 2 2 335.473 1.502 20 0 EDADLP CCON1CCC([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)CC1 ZINC000903478612 592176119 /nfs/dbraw/zinc/17/61/19/592176119.db2.gz HMRQUUXMUQDOAN-GFCCVEGCSA-N 2 2 343.269 1.966 20 0 EDADLP Cc1cc(NC(=O)CNc2cccc[nH+]2)n(C2CC[NH+](C)CC2)n1 ZINC000900973942 592182879 /nfs/dbraw/zinc/18/28/79/592182879.db2.gz ADMQNAFWKPOCFZ-UHFFFAOYSA-N 2 2 328.420 1.904 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565676 592212091 /nfs/dbraw/zinc/21/20/91/592212091.db2.gz BHLJVDTUGGTJQA-UHFFFAOYSA-N 2 2 331.869 1.350 20 0 EDADLP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)CCO2 ZINC000903565617 592212105 /nfs/dbraw/zinc/21/21/05/592212105.db2.gz NZJRTUVPSZHGIW-YPMHNXCESA-N 2 2 327.222 1.851 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000901083516 592227664 /nfs/dbraw/zinc/22/76/64/592227664.db2.gz VJOGLDWREJDYPM-HNNXBMFYSA-N 2 2 344.415 1.226 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000901083516 592227667 /nfs/dbraw/zinc/22/76/67/592227667.db2.gz VJOGLDWREJDYPM-HNNXBMFYSA-N 2 2 344.415 1.226 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)CC2(F)CC2)CC1 ZINC000903599153 592230644 /nfs/dbraw/zinc/23/06/44/592230644.db2.gz VTHOHRMLSTVWLA-UHFFFAOYSA-N 2 2 328.413 1.077 20 0 EDADLP O=C(CNc1cccc[nH+]1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000901119453 592239312 /nfs/dbraw/zinc/23/93/12/592239312.db2.gz QQSNHEOQABJHPB-CVEARBPZSA-N 2 2 332.448 1.378 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC[NH2+]2)cc1 ZINC000908011723 592262147 /nfs/dbraw/zinc/26/21/47/592262147.db2.gz PRQRDCICXFNNMT-RTBURBONSA-N 2 2 343.471 1.443 20 0 EDADLP C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719440 592281740 /nfs/dbraw/zinc/28/17/40/592281740.db2.gz ZQASYGMNZSZPLC-SCLBCKFNSA-N 2 2 328.416 1.536 20 0 EDADLP C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719440 592281743 /nfs/dbraw/zinc/28/17/43/592281743.db2.gz ZQASYGMNZSZPLC-SCLBCKFNSA-N 2 2 328.416 1.536 20 0 EDADLP CCOC(=O)[C@@H](CCc1ccccc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000903749550 592294836 /nfs/dbraw/zinc/29/48/36/592294836.db2.gz LKRHKLFVNFYEMB-RTBURBONSA-N 2 2 345.487 1.530 20 0 EDADLP O=C(CN1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000903733555 592296719 /nfs/dbraw/zinc/29/67/19/592296719.db2.gz NSJOSDMVUURGGU-SFHVURJKSA-N 2 2 336.524 1.396 20 0 EDADLP O=C(C[NH+]1CCN(C[C@H]2CCCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000903733555 592296722 /nfs/dbraw/zinc/29/67/22/592296722.db2.gz NSJOSDMVUURGGU-SFHVURJKSA-N 2 2 336.524 1.396 20 0 EDADLP c1ccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)[nH+]c1 ZINC000903742630 592304019 /nfs/dbraw/zinc/30/40/19/592304019.db2.gz YHPDKALWIJQRLO-IRXDYDNUSA-N 3 2 330.476 1.974 20 0 EDADLP c1ccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)[nH+]c1 ZINC000903742630 592304025 /nfs/dbraw/zinc/30/40/25/592304025.db2.gz YHPDKALWIJQRLO-IRXDYDNUSA-N 3 2 330.476 1.974 20 0 EDADLP CC1CC(n2nnc3c2C[N@H+](C[C@@H]2C[C@@]4(CC[NH2+]C4)CO2)CC3)C1 ZINC000903778608 592319735 /nfs/dbraw/zinc/31/97/35/592319735.db2.gz PAXIYHAXXFQLKM-ZUBZBLCWSA-N 2 2 331.464 1.376 20 0 EDADLP CC1CC(n2nnc3c2C[N@@H+](C[C@@H]2C[C@@]4(CC[NH2+]C4)CO2)CC3)C1 ZINC000903778608 592319739 /nfs/dbraw/zinc/31/97/39/592319739.db2.gz PAXIYHAXXFQLKM-ZUBZBLCWSA-N 2 2 331.464 1.376 20 0 EDADLP Cc1cc(-c2ccc(OCC[N@@H+]3CCNC(=O)C3)cc2)cc(N)[nH+]1 ZINC000904843445 592333692 /nfs/dbraw/zinc/33/36/92/592333692.db2.gz IAAHNPCEPKMRIJ-UHFFFAOYSA-N 2 2 326.400 1.450 20 0 EDADLP Cc1cc(-c2ccc(OCC[N@H+]3CCNC(=O)C3)cc2)cc(N)[nH+]1 ZINC000904843445 592333693 /nfs/dbraw/zinc/33/36/93/592333693.db2.gz IAAHNPCEPKMRIJ-UHFFFAOYSA-N 2 2 326.400 1.450 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)C2 ZINC000903848617 592344158 /nfs/dbraw/zinc/34/41/58/592344158.db2.gz RZHDVNHGHSXLND-ZNMIVQPWSA-N 2 2 342.443 1.564 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)C2 ZINC000903848617 592344164 /nfs/dbraw/zinc/34/41/64/592344164.db2.gz RZHDVNHGHSXLND-ZNMIVQPWSA-N 2 2 342.443 1.564 20 0 EDADLP CC1CCC(NC(=O)C[NH+]2CCN(C[C@@H]([NH3+])CC(F)F)CC2)CC1 ZINC000903891253 592352325 /nfs/dbraw/zinc/35/23/25/592352325.db2.gz KOPAOPWKHWZCAC-SLTAFYQDSA-N 2 2 346.466 1.281 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C[C@H]([NH3+])CC(F)F)CC2)c1 ZINC000903878466 592358757 /nfs/dbraw/zinc/35/87/57/592358757.db2.gz VDNCPZMDOLUJPR-CQSZACIVSA-N 2 2 343.418 1.804 20 0 EDADLP Cc1csc(N2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000903879425 592360126 /nfs/dbraw/zinc/36/01/26/592360126.db2.gz AUGCYDZOONMWJT-CQSZACIVSA-N 2 2 347.492 1.290 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])CN2CCc3c([nH+]c(C(C)C)n3C)C2)cnn1C ZINC000903893268 592365890 /nfs/dbraw/zinc/36/58/90/592365890.db2.gz UCXDERDWTBAJHV-HNNXBMFYSA-N 2 2 344.507 1.761 20 0 EDADLP COC(=O)c1cnc(CC2CC[NH+](CC34CC(C3)C[NH2+]4)CC2)s1 ZINC000903940086 592392102 /nfs/dbraw/zinc/39/21/02/592392102.db2.gz VYZHJUUQORQKBD-UHFFFAOYSA-N 2 2 335.473 1.936 20 0 EDADLP COCCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903974388 592397563 /nfs/dbraw/zinc/39/75/63/592397563.db2.gz POCVOQLTGYJPDF-KRWDZBQOSA-N 2 2 334.460 1.960 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000908350051 592457072 /nfs/dbraw/zinc/45/70/72/592457072.db2.gz UXSDONLFPWMMPF-DOTOQJQBSA-N 2 2 339.443 1.808 20 0 EDADLP C[C@]1(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000905220593 592472366 /nfs/dbraw/zinc/47/23/66/592472366.db2.gz ZCOJBIZXHWHTJX-RTBURBONSA-N 2 2 348.487 1.533 20 0 EDADLP C[C@]1(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000905220593 592472370 /nfs/dbraw/zinc/47/23/70/592472370.db2.gz ZCOJBIZXHWHTJX-RTBURBONSA-N 2 2 348.487 1.533 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COc1ccc2cc[nH]c2c1 ZINC000905264541 592482163 /nfs/dbraw/zinc/48/21/63/592482163.db2.gz SVIJKEJSYFZTHX-ZIAGYGMSSA-N 2 2 326.400 1.778 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)COc1ccc2cc[nH]c2c1 ZINC000905264541 592482165 /nfs/dbraw/zinc/48/21/65/592482165.db2.gz SVIJKEJSYFZTHX-ZIAGYGMSSA-N 2 2 326.400 1.778 20 0 EDADLP CN(C(=O)CCC(N)=O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000907125628 592521639 /nfs/dbraw/zinc/52/16/39/592521639.db2.gz YXXRHQPKDQQQCS-HOTGVXAUSA-N 2 2 338.496 1.048 20 0 EDADLP CN(C(=O)CCC(N)=O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000907125628 592521641 /nfs/dbraw/zinc/52/16/41/592521641.db2.gz YXXRHQPKDQQQCS-HOTGVXAUSA-N 2 2 338.496 1.048 20 0 EDADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000908510136 592525277 /nfs/dbraw/zinc/52/52/77/592525277.db2.gz PIFRSNPDFCCUOU-WOJBJXKFSA-N 2 2 347.503 1.415 20 0 EDADLP OC[C@H](C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)Cc1ccoc1 ZINC000905419617 592525366 /nfs/dbraw/zinc/52/53/66/592525366.db2.gz PSEQCXCRAFFQGT-PXNSSMCTSA-N 2 2 344.455 1.439 20 0 EDADLP OC[C@H](C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)Cc1ccoc1 ZINC000905419617 592525368 /nfs/dbraw/zinc/52/53/68/592525368.db2.gz PSEQCXCRAFFQGT-PXNSSMCTSA-N 2 2 344.455 1.439 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)CC1CCCC1 ZINC000905447089 592528279 /nfs/dbraw/zinc/52/82/79/592528279.db2.gz NYUFSAKEGMDSDO-RBUKOAKNSA-N 2 2 339.524 1.314 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449850 592529665 /nfs/dbraw/zinc/52/96/65/592529665.db2.gz GWOUHXKYZVABRV-ICSRJNTNSA-N 2 2 343.471 1.224 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449850 592529668 /nfs/dbraw/zinc/52/96/68/592529668.db2.gz GWOUHXKYZVABRV-ICSRJNTNSA-N 2 2 343.471 1.224 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]CC(=O)N1CCCCc2ccccc21)C1CC1 ZINC000905603426 592575492 /nfs/dbraw/zinc/57/54/92/592575492.db2.gz ANWIATRXCQXBSR-KRWDZBQOSA-N 2 2 331.460 1.401 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]CC(=O)N1CCCCc2ccccc21)C1CC1 ZINC000905603426 592575495 /nfs/dbraw/zinc/57/54/95/592575495.db2.gz ANWIATRXCQXBSR-KRWDZBQOSA-N 2 2 331.460 1.401 20 0 EDADLP CC1(C)O[C@@H]2C[C@@H]([NH2+]C[C@H](O)C[N@@H+]3CCc4ccccc4C3)C[C@@H]2O1 ZINC000905609487 592578173 /nfs/dbraw/zinc/57/81/73/592578173.db2.gz QVFAFULKKSVDCC-CADBVGFASA-N 2 2 346.471 1.678 20 0 EDADLP CC1(C)O[C@@H]2C[C@@H]([NH2+]C[C@H](O)C[N@H+]3CCc4ccccc4C3)C[C@@H]2O1 ZINC000905609487 592578175 /nfs/dbraw/zinc/57/81/75/592578175.db2.gz QVFAFULKKSVDCC-CADBVGFASA-N 2 2 346.471 1.678 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905623854 592588563 /nfs/dbraw/zinc/58/85/63/592588563.db2.gz IYQUTMDGNSSODA-ZWKOTPCHSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905623854 592588565 /nfs/dbraw/zinc/58/85/65/592588565.db2.gz IYQUTMDGNSSODA-ZWKOTPCHSA-N 2 2 334.460 1.578 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000907373955 592615726 /nfs/dbraw/zinc/61/57/26/592615726.db2.gz QUVHCKBESJSGGG-QWFCFKBJSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000907373955 592615729 /nfs/dbraw/zinc/61/57/29/592615729.db2.gz QUVHCKBESJSGGG-QWFCFKBJSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000907373955 592615732 /nfs/dbraw/zinc/61/57/32/592615732.db2.gz QUVHCKBESJSGGG-QWFCFKBJSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000907373955 592615735 /nfs/dbraw/zinc/61/57/35/592615735.db2.gz QUVHCKBESJSGGG-QWFCFKBJSA-N 2 2 345.487 1.565 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@@H](O)C3(O)CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000905890751 592669308 /nfs/dbraw/zinc/66/93/08/592669308.db2.gz CYMOHLTUGYADFJ-MRXNPFEDSA-N 2 2 348.491 1.696 20 0 EDADLP O[C@H](C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C[C@]1(O)CCOC1 ZINC000905878695 592677937 /nfs/dbraw/zinc/67/79/37/592677937.db2.gz YIXQPZGNNMWEFW-IPMKNSEASA-N 2 2 334.460 1.316 20 0 EDADLP CC[C@](O)(C[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(F)(F)F ZINC000905937146 592689174 /nfs/dbraw/zinc/68/91/74/592689174.db2.gz ZUJNWWKQEIPADO-RISCZKNCSA-N 2 2 347.385 1.780 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C2CN(C)CC[N@H+](C)C2)cn1 ZINC000906219018 592760463 /nfs/dbraw/zinc/76/04/63/592760463.db2.gz ORYACVIFRPYBRT-UHFFFAOYSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C2CN(C)CC[N@@H+](C)C2)cn1 ZINC000906219018 592760466 /nfs/dbraw/zinc/76/04/66/592760466.db2.gz ORYACVIFRPYBRT-UHFFFAOYSA-N 2 2 328.420 1.008 20 0 EDADLP CC(=O)CCn1cc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nn1 ZINC000906297782 592784423 /nfs/dbraw/zinc/78/44/23/592784423.db2.gz ZFCKASHSOQUOMW-INIZCTEOSA-N 2 2 342.447 1.780 20 0 EDADLP CC(=O)CCn1cc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nn1 ZINC000906297782 592784426 /nfs/dbraw/zinc/78/44/26/592784426.db2.gz ZFCKASHSOQUOMW-INIZCTEOSA-N 2 2 342.447 1.780 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000907796980 592798575 /nfs/dbraw/zinc/79/85/75/592798575.db2.gz RBRZSOZJPZTRCD-KBXCAEBGSA-N 2 2 333.432 1.215 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000907796980 592798580 /nfs/dbraw/zinc/79/85/80/592798580.db2.gz RBRZSOZJPZTRCD-KBXCAEBGSA-N 2 2 333.432 1.215 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C[N@@H+](C)C3CCC3)ccc2n1C(CO)CO ZINC000909303999 592803816 /nfs/dbraw/zinc/80/38/16/592803816.db2.gz QKMLPKPQJKUPGX-UHFFFAOYSA-N 2 2 346.431 1.293 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C[N@H+](C)C3CCC3)ccc2n1C(CO)CO ZINC000909303999 592803818 /nfs/dbraw/zinc/80/38/18/592803818.db2.gz QKMLPKPQJKUPGX-UHFFFAOYSA-N 2 2 346.431 1.293 20 0 EDADLP CCC[NH+]1CCN(C(=O)c2coc(C[N@@H+]3CC[C@H](OC)C3)n2)CC1 ZINC000906553795 592850080 /nfs/dbraw/zinc/85/00/80/592850080.db2.gz PLEDLQGRGRDSSM-AWEZNQCLSA-N 2 2 336.436 1.063 20 0 EDADLP CCC[NH+]1CCN(C(=O)c2coc(C[N@H+]3CC[C@H](OC)C3)n2)CC1 ZINC000906553795 592850081 /nfs/dbraw/zinc/85/00/81/592850081.db2.gz PLEDLQGRGRDSSM-AWEZNQCLSA-N 2 2 336.436 1.063 20 0 EDADLP Cn1cc[nH+]c1CN1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906589138 592853057 /nfs/dbraw/zinc/85/30/57/592853057.db2.gz ZELFQWDUXQMMTP-UHFFFAOYSA-N 2 2 347.507 1.719 20 0 EDADLP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000911556413 592945086 /nfs/dbraw/zinc/94/50/86/592945086.db2.gz JVOLBGZGQUQBOS-KBPBESRZSA-N 2 2 333.436 1.112 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccccc1OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000911664747 592973272 /nfs/dbraw/zinc/97/32/72/592973272.db2.gz MVRJTOFOIYTAQO-DJIMGWMZSA-N 2 2 349.475 1.701 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccccc1OC)[N@H+]1CCO[C@H](CC)C1 ZINC000911664747 592973273 /nfs/dbraw/zinc/97/32/73/592973273.db2.gz MVRJTOFOIYTAQO-DJIMGWMZSA-N 2 2 349.475 1.701 20 0 EDADLP CC[C@H](C(=O)NCc1ccc(CC[NH3+])cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911734251 592992582 /nfs/dbraw/zinc/99/25/82/592992582.db2.gz LTOPZRJGYXIJRY-QZTJIDSGSA-N 2 2 333.476 1.693 20 0 EDADLP CC[C@H](C(=O)NCc1ccc(CC[NH3+])cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000911734251 592992584 /nfs/dbraw/zinc/99/25/84/592992584.db2.gz LTOPZRJGYXIJRY-QZTJIDSGSA-N 2 2 333.476 1.693 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC[N@@H+]1CCOC ZINC000838632871 593198643 /nfs/dbraw/zinc/19/86/43/593198643.db2.gz ICEQZTHYLZOUAL-GJZGRUSLSA-N 2 2 335.452 1.470 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC[N@H+]1CCOC ZINC000838632871 593198644 /nfs/dbraw/zinc/19/86/44/593198644.db2.gz ICEQZTHYLZOUAL-GJZGRUSLSA-N 2 2 335.452 1.470 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000802734917 593274424 /nfs/dbraw/zinc/27/44/24/593274424.db2.gz WBMOKKDHZIUADM-GOSISDBHSA-N 2 2 347.463 1.972 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000802734917 593274426 /nfs/dbraw/zinc/27/44/26/593274426.db2.gz WBMOKKDHZIUADM-GOSISDBHSA-N 2 2 347.463 1.972 20 0 EDADLP C[C@H](O)c1ncc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000809627015 593350715 /nfs/dbraw/zinc/35/07/15/593350715.db2.gz NRKAUPZFBYPEDR-TUKIKUTGSA-N 2 2 325.478 1.664 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000810523976 593409544 /nfs/dbraw/zinc/40/95/44/593409544.db2.gz KADKICKGXNTIKY-YOEHRIQHSA-N 2 2 327.444 1.132 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000810523976 593409547 /nfs/dbraw/zinc/40/95/47/593409547.db2.gz KADKICKGXNTIKY-YOEHRIQHSA-N 2 2 327.444 1.132 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000812836423 593510424 /nfs/dbraw/zinc/51/04/24/593510424.db2.gz CXSMVDNQXXKVAM-HKUYNNGSSA-N 2 2 332.492 1.604 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000812836423 593510425 /nfs/dbraw/zinc/51/04/25/593510425.db2.gz CXSMVDNQXXKVAM-HKUYNNGSSA-N 2 2 332.492 1.604 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000816865039 593554646 /nfs/dbraw/zinc/55/46/46/593554646.db2.gz DEHLHEONOYSILE-UHFFFAOYSA-N 2 2 331.395 1.030 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(C(=O)N(C)C)cc1 ZINC000813861154 593558826 /nfs/dbraw/zinc/55/88/26/593558826.db2.gz PLUHNBRCSWWCFG-JCGIZDLHSA-N 2 2 331.460 1.902 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(C(=O)N(C)C)cc1 ZINC000813861154 593558827 /nfs/dbraw/zinc/55/88/27/593558827.db2.gz PLUHNBRCSWWCFG-JCGIZDLHSA-N 2 2 331.460 1.902 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCc2cnn(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817933681 593650044 /nfs/dbraw/zinc/65/00/44/593650044.db2.gz OCCKQYZSFHSDOX-ROUUACIJSA-N 2 2 329.448 1.839 20 0 EDADLP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2O1 ZINC000818187422 593679995 /nfs/dbraw/zinc/67/99/95/593679995.db2.gz XYDIDIUDWZRJPD-QWHCGFSZSA-N 2 2 326.343 1.961 20 0 EDADLP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2O1 ZINC000818187422 593679996 /nfs/dbraw/zinc/67/99/96/593679996.db2.gz XYDIDIUDWZRJPD-QWHCGFSZSA-N 2 2 326.343 1.961 20 0 EDADLP CCn1nc(C)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000818614921 593708218 /nfs/dbraw/zinc/70/82/18/593708218.db2.gz IXWXGDNYRSTQKB-QAPCUYQASA-N 2 2 327.432 1.952 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1 ZINC000818627408 593708736 /nfs/dbraw/zinc/70/87/36/593708736.db2.gz VDPGKLHXVCJSKQ-CYBMUJFWSA-N 2 2 325.376 1.111 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NCc1cc(O[C@H]2CC[NH2+]C2)ccn1 ZINC000818627409 593708821 /nfs/dbraw/zinc/70/88/21/593708821.db2.gz VDPGKLHXVCJSKQ-ZDUSSCGKSA-N 2 2 325.376 1.111 20 0 EDADLP CCS(=O)(=O)CC[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000819054126 593736043 /nfs/dbraw/zinc/73/60/43/593736043.db2.gz WKJPMBSYHRUFTF-UHFFFAOYSA-N 2 2 343.493 1.528 20 0 EDADLP Cc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1C ZINC000819295811 593749172 /nfs/dbraw/zinc/74/91/72/593749172.db2.gz SNLVFASEYCLVHZ-ZWKOTPCHSA-N 2 2 331.460 1.841 20 0 EDADLP Cc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)cc1C ZINC000819295811 593749173 /nfs/dbraw/zinc/74/91/73/593749173.db2.gz SNLVFASEYCLVHZ-ZWKOTPCHSA-N 2 2 331.460 1.841 20 0 EDADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000823699149 593837478 /nfs/dbraw/zinc/83/74/78/593837478.db2.gz SXDKCWIVHGSKMW-CABCVRRESA-N 2 2 348.476 1.396 20 0 EDADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCOCC1)C[NH+](C)C ZINC000821542526 593860358 /nfs/dbraw/zinc/86/03/58/593860358.db2.gz WTBCEUZLCQNBIJ-OAHLLOKOSA-N 2 2 334.464 1.838 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821601493 593876307 /nfs/dbraw/zinc/87/63/07/593876307.db2.gz KIAGBDGSPNRZTF-UHFFFAOYSA-N 2 2 340.391 1.024 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000821601493 593876310 /nfs/dbraw/zinc/87/63/10/593876310.db2.gz KIAGBDGSPNRZTF-UHFFFAOYSA-N 2 2 340.391 1.024 20 0 EDADLP C[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)C[NH+]1CCOCC1 ZINC000824428887 594009607 /nfs/dbraw/zinc/00/96/07/594009607.db2.gz UNQOLUNNPQVUIK-CHWSQXEVSA-N 2 2 348.426 1.625 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H](C)CO ZINC000824434403 594010986 /nfs/dbraw/zinc/01/09/86/594010986.db2.gz JSBWTCKUHBWUON-ZIAGYGMSSA-N 2 2 344.463 1.438 20 0 EDADLP CO[C@H]1CC[C@@H]([NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000821381049 594033111 /nfs/dbraw/zinc/03/31/11/594033111.db2.gz UVLDAWKMRGZBCR-CVEARBPZSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576637 594041419 /nfs/dbraw/zinc/04/14/19/594041419.db2.gz BYDKUUZZJCUPOY-BLLLJJGKSA-N 2 2 332.477 1.955 20 0 EDADLP CC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825114170 594131662 /nfs/dbraw/zinc/13/16/62/594131662.db2.gz KOKQCUIDUAIMQH-INIZCTEOSA-N 2 2 344.463 1.582 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC000825392853 594177666 /nfs/dbraw/zinc/17/76/66/594177666.db2.gz XFQQGQCCWAIZPF-AWEZNQCLSA-N 2 2 339.480 1.251 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)C1 ZINC000825392853 594177667 /nfs/dbraw/zinc/17/76/67/594177667.db2.gz XFQQGQCCWAIZPF-AWEZNQCLSA-N 2 2 339.480 1.251 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)CC[NH2+]C(C)(C)C)Cc3ccc[nH+]c3N2C1 ZINC000828098496 594340777 /nfs/dbraw/zinc/34/07/77/594340777.db2.gz KJXOPGDMDHFYNC-JKSUJKDBSA-N 2 2 346.475 1.796 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826159445 594354810 /nfs/dbraw/zinc/35/48/10/594354810.db2.gz GGUXZHVBEQKYSI-LBPRGKRZSA-N 2 2 348.426 1.767 20 0 EDADLP Cc1cc[nH+]c(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1-c1nn[nH]n1 ZINC000826309930 594418075 /nfs/dbraw/zinc/41/80/75/594418075.db2.gz GWIUNBWGCHCYBZ-AWEZNQCLSA-N 2 2 327.436 1.882 20 0 EDADLP Cc1cc[nH+]c(N2CCN(c3[nH+]ccc(C)c3-c3nn[nH]n3)CC2)c1 ZINC000826310967 594418656 /nfs/dbraw/zinc/41/86/56/594418656.db2.gz OXORZFMVQMIRRT-UHFFFAOYSA-N 2 2 336.403 1.600 20 0 EDADLP c1c[nH+]c(C2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)[nH]1 ZINC000826512715 594511854 /nfs/dbraw/zinc/51/18/54/594511854.db2.gz LHVGETZZWTWBIJ-UHFFFAOYSA-N 2 2 349.402 1.617 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC000826596981 594535563 /nfs/dbraw/zinc/53/55/63/594535563.db2.gz IOYJMONDPDKTNO-OALUTQOASA-N 2 2 347.503 1.898 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC000826596981 594535565 /nfs/dbraw/zinc/53/55/65/594535565.db2.gz IOYJMONDPDKTNO-OALUTQOASA-N 2 2 347.503 1.898 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000829247827 594587737 /nfs/dbraw/zinc/58/77/37/594587737.db2.gz UEFWSYKNTCPBAD-OAHLLOKOSA-N 2 2 332.448 1.016 20 0 EDADLP C[C@H]1Cc2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)ccc2O1 ZINC000827414275 594669657 /nfs/dbraw/zinc/66/96/57/594669657.db2.gz RRTVJFVBCMGDIJ-WMLDXEAASA-N 2 2 343.471 1.908 20 0 EDADLP C[C@H]1Cc2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)ccc2O1 ZINC000827414275 594669658 /nfs/dbraw/zinc/66/96/58/594669658.db2.gz RRTVJFVBCMGDIJ-WMLDXEAASA-N 2 2 343.471 1.908 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC000831594591 594686206 /nfs/dbraw/zinc/68/62/06/594686206.db2.gz CVNXLQXWBGCGJS-UHFFFAOYSA-N 2 2 342.443 1.681 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC000831594591 594686207 /nfs/dbraw/zinc/68/62/07/594686207.db2.gz CVNXLQXWBGCGJS-UHFFFAOYSA-N 2 2 342.443 1.681 20 0 EDADLP CC1([NH+]2CCCCC2)CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000832221197 594736365 /nfs/dbraw/zinc/73/63/65/594736365.db2.gz CGHNRURSRGLNMK-WAYWQWQTSA-N 2 2 335.492 1.742 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c(N(C)C)[nH+]1 ZINC000841268919 594878445 /nfs/dbraw/zinc/87/84/45/594878445.db2.gz NBZMMDIOCDERHT-AWEZNQCLSA-N 2 2 333.436 1.028 20 0 EDADLP O=C(NCc1[nH]cc[nH+]1)Nc1ccc(C(=O)OC[C@@H]2CCC[NH2+]2)cc1 ZINC000841282884 594880937 /nfs/dbraw/zinc/88/09/37/594880937.db2.gz ZASRISRTVYYTDB-AWEZNQCLSA-N 2 2 343.387 1.640 20 0 EDADLP COc1ccccc1[C@H](NC(=O)NC[C@@H]([NH3+])C(C)C)c1[nH+]ccn1C ZINC000841669671 594933233 /nfs/dbraw/zinc/93/32/33/594933233.db2.gz PADYCDVIDUXQAY-ZBFHGGJFSA-N 2 2 345.447 1.801 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1[nH+]ccn1C ZINC000841671276 594933614 /nfs/dbraw/zinc/93/36/14/594933614.db2.gz XXMCPWJBONUGER-XUJVJEKNSA-N 2 2 331.420 1.553 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000841764755 594948597 /nfs/dbraw/zinc/94/85/97/594948597.db2.gz IAOIZMAUOULMIF-RRFJBIMHSA-N 2 2 332.448 1.976 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000841984495 594995631 /nfs/dbraw/zinc/99/56/31/594995631.db2.gz KOWNNDQBPJHIKX-GFCCVEGCSA-N 2 2 327.498 1.193 20 0 EDADLP C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000843358841 595087342 /nfs/dbraw/zinc/08/73/42/595087342.db2.gz UGQLLHCPVOIVPV-ROUUACIJSA-N 2 2 327.428 1.148 20 0 EDADLP C[N@H+](Cc1cccc(C(N)=O)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000843358841 595087346 /nfs/dbraw/zinc/08/73/46/595087346.db2.gz UGQLLHCPVOIVPV-ROUUACIJSA-N 2 2 327.428 1.148 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[NH2+]c2ccc(OCC[NH3+])cc2)C1 ZINC000843365585 595089284 /nfs/dbraw/zinc/08/92/84/595089284.db2.gz GIRHFUGLSRIIHT-ZDUSSCGKSA-N 2 2 327.450 1.108 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843368396 595089705 /nfs/dbraw/zinc/08/97/05/595089705.db2.gz RNDLDWOTIMDNEU-GTNSWQLSSA-N 2 2 329.404 1.281 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843368396 595089706 /nfs/dbraw/zinc/08/97/06/595089706.db2.gz RNDLDWOTIMDNEU-GTNSWQLSSA-N 2 2 329.404 1.281 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000837423344 595107255 /nfs/dbraw/zinc/10/72/55/595107255.db2.gz GFDZHPHBHYVHMY-OAHLLOKOSA-N 2 2 342.447 1.893 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000842475367 595114214 /nfs/dbraw/zinc/11/42/14/595114214.db2.gz OKCJXDVKQHKIPA-YOEHRIQHSA-N 2 2 334.464 1.255 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000842475367 595114218 /nfs/dbraw/zinc/11/42/18/595114218.db2.gz OKCJXDVKQHKIPA-YOEHRIQHSA-N 2 2 334.464 1.255 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)o1 ZINC000842476254 595115239 /nfs/dbraw/zinc/11/52/39/595115239.db2.gz KDHPXBIFZUDZHF-AWEZNQCLSA-N 2 2 329.466 1.527 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@]3(O)CCOC3)CC2)cc1 ZINC000846050112 595130442 /nfs/dbraw/zinc/13/04/42/595130442.db2.gz QJLKKIILYZGPOQ-LJQANCHMSA-N 2 2 333.476 1.853 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000842668952 595165582 /nfs/dbraw/zinc/16/55/82/595165582.db2.gz MUGUUCSEPPIOTJ-LLVKDONJSA-N 2 2 327.425 1.047 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(F)c1 ZINC000842668952 595165586 /nfs/dbraw/zinc/16/55/86/595165586.db2.gz MUGUUCSEPPIOTJ-LLVKDONJSA-N 2 2 327.425 1.047 20 0 EDADLP CC1([NH+]2CCC2)CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000834786860 595211712 /nfs/dbraw/zinc/21/17/12/595211712.db2.gz VGWMEIFNLCOZDX-UHFFFAOYSA-N 2 2 335.492 1.765 20 0 EDADLP COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000842966929 595248361 /nfs/dbraw/zinc/24/83/61/595248361.db2.gz QRVHDOABAPXHPJ-CZUORRHYSA-N 2 2 333.388 1.227 20 0 EDADLP COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000842966929 595248364 /nfs/dbraw/zinc/24/83/64/595248364.db2.gz QRVHDOABAPXHPJ-CZUORRHYSA-N 2 2 333.388 1.227 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000843086490 595284020 /nfs/dbraw/zinc/28/40/20/595284020.db2.gz FSZYISAEASTBOC-RHSMWYFYSA-N 2 2 338.448 1.174 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)c1 ZINC000843086490 595284022 /nfs/dbraw/zinc/28/40/22/595284022.db2.gz FSZYISAEASTBOC-RHSMWYFYSA-N 2 2 338.448 1.174 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000844167342 595289446 /nfs/dbraw/zinc/28/94/46/595289446.db2.gz DDFRGIVHZHQCRP-DOTOQJQBSA-N 2 2 346.406 1.533 20 0 EDADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000846669379 595297343 /nfs/dbraw/zinc/29/73/43/595297343.db2.gz RXRHCKADWCTGQA-IUODEOHRSA-N 2 2 334.420 1.099 20 0 EDADLP Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C2=O)c(C)c1 ZINC000846677343 595299464 /nfs/dbraw/zinc/29/94/64/595299464.db2.gz OJXSBQQIJHAYKI-HZPDHXFCSA-N 2 2 346.475 1.112 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218067 595304909 /nfs/dbraw/zinc/30/49/09/595304909.db2.gz OZFXUMGOMOYAHB-HNNXBMFYSA-N 2 2 332.448 1.132 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218067 595304911 /nfs/dbraw/zinc/30/49/11/595304911.db2.gz OZFXUMGOMOYAHB-HNNXBMFYSA-N 2 2 332.448 1.132 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2nnc3ccccn32)cc1 ZINC000844221744 595306831 /nfs/dbraw/zinc/30/68/31/595306831.db2.gz JPSJKZWUFFJNSL-OAHLLOKOSA-N 2 2 325.416 1.912 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2nnc3ccccn32)cc1 ZINC000844221744 595306833 /nfs/dbraw/zinc/30/68/33/595306833.db2.gz JPSJKZWUFFJNSL-OAHLLOKOSA-N 2 2 325.416 1.912 20 0 EDADLP C[C@@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c1[nH]cc[nH+]1 ZINC000848386094 595371902 /nfs/dbraw/zinc/37/19/02/595371902.db2.gz HFRAJOBZHDFEQJ-NEPJUHHUSA-N 2 2 339.440 1.432 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844695252 595375229 /nfs/dbraw/zinc/37/52/29/595375229.db2.gz TWUFOVBFIOPMLW-KRWDZBQOSA-N 2 2 334.508 1.591 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844695252 595375232 /nfs/dbraw/zinc/37/52/32/595375232.db2.gz TWUFOVBFIOPMLW-KRWDZBQOSA-N 2 2 334.508 1.591 20 0 EDADLP COC(=O)/C=C/c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000848887816 595463021 /nfs/dbraw/zinc/46/30/21/595463021.db2.gz FTUBTMQOKXOIIO-MBVDDHJVSA-N 2 2 334.416 1.620 20 0 EDADLP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000848887816 595463022 /nfs/dbraw/zinc/46/30/22/595463022.db2.gz FTUBTMQOKXOIIO-MBVDDHJVSA-N 2 2 334.416 1.620 20 0 EDADLP COC(=O)N(C)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000849172922 595491002 /nfs/dbraw/zinc/49/10/02/595491002.db2.gz HMUYLPWWMCXNFT-UHFFFAOYSA-N 2 2 327.348 1.321 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](COC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000845468880 595503013 /nfs/dbraw/zinc/50/30/13/595503013.db2.gz GUCVWNWUFMCVDM-MRXNPFEDSA-N 2 2 335.448 1.662 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](COC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000845468880 595503015 /nfs/dbraw/zinc/50/30/15/595503015.db2.gz GUCVWNWUFMCVDM-MRXNPFEDSA-N 2 2 335.448 1.662 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccnc1Cl ZINC000849424387 595524638 /nfs/dbraw/zinc/52/46/38/595524638.db2.gz YVFBMFWCWHKPGY-LBPRGKRZSA-N 2 2 348.900 1.285 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccnc1Cl ZINC000849424387 595524639 /nfs/dbraw/zinc/52/46/39/595524639.db2.gz YVFBMFWCWHKPGY-LBPRGKRZSA-N 2 2 348.900 1.285 20 0 EDADLP C(CC1SCCS1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000850571142 595535755 /nfs/dbraw/zinc/53/57/55/595535755.db2.gz REMRIBMQKFXDGM-UHFFFAOYSA-N 2 2 345.578 1.569 20 0 EDADLP C(CC1SCCS1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000850571142 595535759 /nfs/dbraw/zinc/53/57/59/595535759.db2.gz REMRIBMQKFXDGM-UHFFFAOYSA-N 2 2 345.578 1.569 20 0 EDADLP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000849490718 595548855 /nfs/dbraw/zinc/54/88/55/595548855.db2.gz PFJWJLOQNQGQSF-ROUUACIJSA-N 2 2 341.459 1.998 20 0 EDADLP Cc1cc(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000849490718 595548857 /nfs/dbraw/zinc/54/88/57/595548857.db2.gz PFJWJLOQNQGQSF-ROUUACIJSA-N 2 2 341.459 1.998 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000852807046 595551547 /nfs/dbraw/zinc/55/15/47/595551547.db2.gz PBMYWIQEAZWSCS-GXTWGEPZSA-N 2 2 347.806 1.383 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C=C2CC[NH2+]CC2)[NH+]2CCOCC2)c1 ZINC000852859354 595581179 /nfs/dbraw/zinc/58/11/79/595581179.db2.gz SILVSGVZQIERQW-LJQANCHMSA-N 2 2 343.471 1.794 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000853103792 595665855 /nfs/dbraw/zinc/66/58/55/595665855.db2.gz PKJQAWRLFGZUNQ-AZUAARDMSA-N 2 2 341.455 1.996 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccn1 ZINC000853103792 595665857 /nfs/dbraw/zinc/66/58/57/595665857.db2.gz PKJQAWRLFGZUNQ-AZUAARDMSA-N 2 2 341.455 1.996 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C2OCCO2)c1 ZINC000855414348 595703727 /nfs/dbraw/zinc/70/37/27/595703727.db2.gz BUVDPCCPGSMXHR-UHFFFAOYSA-N 2 2 335.448 1.345 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C2OCCO2)c1 ZINC000855414348 595703729 /nfs/dbraw/zinc/70/37/29/595703729.db2.gz BUVDPCCPGSMXHR-UHFFFAOYSA-N 2 2 335.448 1.345 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(Br)n1 ZINC000855415182 595704624 /nfs/dbraw/zinc/70/46/24/595704624.db2.gz SXQZSUNHNMQSKE-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(Br)n1 ZINC000855415182 595704625 /nfs/dbraw/zinc/70/46/25/595704625.db2.gz SXQZSUNHNMQSKE-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[N@H+](CCNC(=O)OC(C)(C)C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000853245950 595718785 /nfs/dbraw/zinc/71/87/85/595718785.db2.gz DUDVATNSCQLRLL-UHFFFAOYSA-N 2 2 326.466 1.745 20 0 EDADLP C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000853245950 595718790 /nfs/dbraw/zinc/71/87/90/595718790.db2.gz DUDVATNSCQLRLL-UHFFFAOYSA-N 2 2 326.466 1.745 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OCC1(COC(=O)Cn2c[nH+]cc2C)CC1 ZINC000860630802 595746147 /nfs/dbraw/zinc/74/61/47/595746147.db2.gz DRFMANHDPURLJP-UHFFFAOYSA-N 2 2 346.387 1.263 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)n1C ZINC000850154099 595756618 /nfs/dbraw/zinc/75/66/18/595756618.db2.gz RRUPTUPMVLGRPS-AWEZNQCLSA-N 2 2 337.807 1.976 20 0 EDADLP CC(C)[NH2+]C1(CO)CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000853656752 595848415 /nfs/dbraw/zinc/84/84/15/595848415.db2.gz ADDHYRKBIIQELF-UHFFFAOYSA-N 2 2 346.479 1.911 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849438 595946577 /nfs/dbraw/zinc/94/65/77/595946577.db2.gz UPKWRLOVSZSNPK-BZUAXINKSA-N 2 2 343.512 1.923 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849438 595946578 /nfs/dbraw/zinc/94/65/78/595946578.db2.gz UPKWRLOVSZSNPK-BZUAXINKSA-N 2 2 343.512 1.923 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849438 595946580 /nfs/dbraw/zinc/94/65/80/595946580.db2.gz UPKWRLOVSZSNPK-BZUAXINKSA-N 2 2 343.512 1.923 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849438 595946582 /nfs/dbraw/zinc/94/65/82/595946582.db2.gz UPKWRLOVSZSNPK-BZUAXINKSA-N 2 2 343.512 1.923 20 0 EDADLP CC(C)CNC(=O)CCC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000851851324 595947203 /nfs/dbraw/zinc/94/72/03/595947203.db2.gz LVBKLCOMJNDOHB-AWEZNQCLSA-N 2 2 326.510 1.648 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856609388 596033178 /nfs/dbraw/zinc/03/31/78/596033178.db2.gz XMPCOLMOKQYLOM-BBWFWOEESA-N 2 2 344.459 1.238 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856609388 596033182 /nfs/dbraw/zinc/03/31/82/596033182.db2.gz XMPCOLMOKQYLOM-BBWFWOEESA-N 2 2 344.459 1.238 20 0 EDADLP CC1CC[NH+](CC(=O)N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856610822 596033992 /nfs/dbraw/zinc/03/39/92/596033992.db2.gz AJKULBAZRZTJJQ-DLBZAZTESA-N 2 2 344.459 1.095 20 0 EDADLP CO/C(=C\c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000857122656 596163244 /nfs/dbraw/zinc/16/32/44/596163244.db2.gz KNPLAUHKKOGWKK-SQFNAUOLSA-N 2 2 343.471 1.959 20 0 EDADLP CO/C(=C\c1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000857122656 596163245 /nfs/dbraw/zinc/16/32/45/596163245.db2.gz KNPLAUHKKOGWKK-SQFNAUOLSA-N 2 2 343.471 1.959 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCc3c[nH+]cn3C)C2)cc1 ZINC000868624823 596250535 /nfs/dbraw/zinc/25/05/35/596250535.db2.gz WLQVKGKBWRUINY-INIZCTEOSA-N 2 2 327.432 1.802 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCc3c[nH+]cn3C)C2)cc1 ZINC000868624823 596250538 /nfs/dbraw/zinc/25/05/38/596250538.db2.gz WLQVKGKBWRUINY-INIZCTEOSA-N 2 2 327.432 1.802 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000866699610 596298644 /nfs/dbraw/zinc/29/86/44/596298644.db2.gz NJVRXCWFFWQHMA-QGZVFWFLSA-N 2 2 349.450 1.800 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000866699610 596298647 /nfs/dbraw/zinc/29/86/47/596298647.db2.gz NJVRXCWFFWQHMA-QGZVFWFLSA-N 2 2 349.450 1.800 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000868811857 596314749 /nfs/dbraw/zinc/31/47/49/596314749.db2.gz NYXPCDJVJBXOCV-IAGOWNOFSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000868811857 596314754 /nfs/dbraw/zinc/31/47/54/596314754.db2.gz NYXPCDJVJBXOCV-IAGOWNOFSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000868811857 596314758 /nfs/dbraw/zinc/31/47/58/596314758.db2.gz NYXPCDJVJBXOCV-IAGOWNOFSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000868811857 596314763 /nfs/dbraw/zinc/31/47/63/596314763.db2.gz NYXPCDJVJBXOCV-IAGOWNOFSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000862551824 596344790 /nfs/dbraw/zinc/34/47/90/596344790.db2.gz QBISGSUJAJRFHC-XHSDSOJGSA-N 2 2 341.496 1.821 20 0 EDADLP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000862551824 596344791 /nfs/dbraw/zinc/34/47/91/596344791.db2.gz QBISGSUJAJRFHC-XHSDSOJGSA-N 2 2 341.496 1.821 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000122346969 596351607 /nfs/dbraw/zinc/35/16/07/596351607.db2.gz BTNOUORZTXVYBJ-SOLBZPMBSA-N 2 2 333.476 1.857 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000122346969 596351611 /nfs/dbraw/zinc/35/16/11/596351611.db2.gz BTNOUORZTXVYBJ-SOLBZPMBSA-N 2 2 333.476 1.857 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000870913512 596401268 /nfs/dbraw/zinc/40/12/68/596401268.db2.gz CJEIHWLTVCQHAI-KBPBESRZSA-N 2 2 330.407 1.864 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])C2)c1 ZINC000870977472 596424715 /nfs/dbraw/zinc/42/47/15/596424715.db2.gz GQASPOAKHAGEON-IPMKNSEASA-N 2 2 345.487 1.830 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])C2)c1 ZINC000870977472 596424718 /nfs/dbraw/zinc/42/47/18/596424718.db2.gz GQASPOAKHAGEON-IPMKNSEASA-N 2 2 345.487 1.830 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[NH2+]CC3CC3)C2)c1 ZINC000870977690 596424812 /nfs/dbraw/zinc/42/48/12/596424812.db2.gz KKFUYZCPFOIWRR-SFHVURJKSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C[NH2+]CC3CC3)C2)c1 ZINC000870977690 596424816 /nfs/dbraw/zinc/42/48/16/596424816.db2.gz KKFUYZCPFOIWRR-SFHVURJKSA-N 2 2 331.460 1.312 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CCC1(C)C ZINC000871153414 596481423 /nfs/dbraw/zinc/48/14/23/596481423.db2.gz GFTWLCFRTMEJAS-QGZVFWFLSA-N 2 2 330.476 1.989 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CCC1(C)C ZINC000871153414 596481426 /nfs/dbraw/zinc/48/14/26/596481426.db2.gz GFTWLCFRTMEJAS-QGZVFWFLSA-N 2 2 330.476 1.989 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CCC1(C)C ZINC000871153414 596481428 /nfs/dbraw/zinc/48/14/28/596481428.db2.gz GFTWLCFRTMEJAS-QGZVFWFLSA-N 2 2 330.476 1.989 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CCC1(C)C ZINC000871153414 596481431 /nfs/dbraw/zinc/48/14/31/596481431.db2.gz GFTWLCFRTMEJAS-QGZVFWFLSA-N 2 2 330.476 1.989 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000871280205 596519650 /nfs/dbraw/zinc/51/96/50/596519650.db2.gz DPVKGOJLPVGNPU-MRXNPFEDSA-N 2 2 328.416 1.278 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000871280205 596519653 /nfs/dbraw/zinc/51/96/53/596519653.db2.gz DPVKGOJLPVGNPU-MRXNPFEDSA-N 2 2 328.416 1.278 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000867775708 596543354 /nfs/dbraw/zinc/54/33/54/596543354.db2.gz HEZSOMOYNDWSGC-OAHLLOKOSA-N 2 2 347.463 1.281 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000867775708 596543355 /nfs/dbraw/zinc/54/33/55/596543355.db2.gz HEZSOMOYNDWSGC-OAHLLOKOSA-N 2 2 347.463 1.281 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865450392 596579199 /nfs/dbraw/zinc/57/91/99/596579199.db2.gz MGLGEJYGEKKSJH-LBPRGKRZSA-N 2 2 328.819 1.551 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865450392 596579200 /nfs/dbraw/zinc/57/92/00/596579200.db2.gz MGLGEJYGEKKSJH-LBPRGKRZSA-N 2 2 328.819 1.551 20 0 EDADLP COc1ncc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000865528498 596601092 /nfs/dbraw/zinc/60/10/92/596601092.db2.gz IXXAALKKGPUILL-ZDUSSCGKSA-N 2 2 330.226 1.009 20 0 EDADLP COc1ncc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000865528498 596601093 /nfs/dbraw/zinc/60/10/93/596601093.db2.gz IXXAALKKGPUILL-ZDUSSCGKSA-N 2 2 330.226 1.009 20 0 EDADLP Cc1ccc(C2=NO[C@H](C[NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)cc1C ZINC000863557408 596617737 /nfs/dbraw/zinc/61/77/37/596617737.db2.gz NNWRJCKQZXRWCD-MSOLQXFVSA-N 2 2 331.460 1.843 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869814864 596646423 /nfs/dbraw/zinc/64/64/23/596646423.db2.gz JZDVWRYFRZHVNI-KRWDZBQOSA-N 2 2 329.444 1.052 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869814864 596646424 /nfs/dbraw/zinc/64/64/24/596646424.db2.gz JZDVWRYFRZHVNI-KRWDZBQOSA-N 2 2 329.444 1.052 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C2)cc1 ZINC000867998737 596649449 /nfs/dbraw/zinc/64/94/49/596649449.db2.gz ZSYCXPWSUNCKBQ-BHIYHBOVSA-N 2 2 347.503 1.931 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C2)cc1 ZINC000867998737 596649453 /nfs/dbraw/zinc/64/94/53/596649453.db2.gz ZSYCXPWSUNCKBQ-BHIYHBOVSA-N 2 2 347.503 1.931 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000865686329 596650692 /nfs/dbraw/zinc/65/06/92/596650692.db2.gz LOCOFCVLAYTOCQ-UHFFFAOYSA-N 2 2 334.395 1.197 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865768709 596674950 /nfs/dbraw/zinc/67/49/50/596674950.db2.gz AAAWNRIXJUYWFA-SZVBFZGTSA-N 2 2 345.443 1.318 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865768709 596674953 /nfs/dbraw/zinc/67/49/53/596674953.db2.gz AAAWNRIXJUYWFA-SZVBFZGTSA-N 2 2 345.443 1.318 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868110175 596689833 /nfs/dbraw/zinc/68/98/33/596689833.db2.gz VBLLEAQZLMQLRW-QZTJIDSGSA-N 2 2 344.459 1.877 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000865990095 596749437 /nfs/dbraw/zinc/74/94/37/596749437.db2.gz PMRWLHZILIKRRI-UWWQBHOKSA-N 2 2 342.443 1.955 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000865990095 596749439 /nfs/dbraw/zinc/74/94/39/596749439.db2.gz PMRWLHZILIKRRI-UWWQBHOKSA-N 2 2 342.443 1.955 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[NH2+]2)c1 ZINC000870150619 596774008 /nfs/dbraw/zinc/77/40/08/596774008.db2.gz WRSINMWIKWUQLV-WBVHZDCISA-N 2 2 340.427 1.627 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cn1 ZINC000866149607 596804684 /nfs/dbraw/zinc/80/46/84/596804684.db2.gz AVCFCNDHJQYMAH-UHFFFAOYSA-N 2 2 343.422 1.246 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cn1 ZINC000866149607 596804687 /nfs/dbraw/zinc/80/46/87/596804687.db2.gz AVCFCNDHJQYMAH-UHFFFAOYSA-N 2 2 343.422 1.246 20 0 EDADLP C[C@@]1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)C[NH2+]CCO1 ZINC000872178455 596822383 /nfs/dbraw/zinc/82/23/83/596822383.db2.gz WKIDRCZWWDIMTO-YJBOKZPZSA-N 2 2 344.415 1.478 20 0 EDADLP C[C@@]1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)C[NH2+]CCO1 ZINC000872178455 596822388 /nfs/dbraw/zinc/82/23/88/596822388.db2.gz WKIDRCZWWDIMTO-YJBOKZPZSA-N 2 2 344.415 1.478 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000872217709 596840047 /nfs/dbraw/zinc/84/00/47/596840047.db2.gz DIRGXZZADPSWLK-GJZGRUSLSA-N 2 2 342.867 1.515 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000872217709 596840050 /nfs/dbraw/zinc/84/00/50/596840050.db2.gz DIRGXZZADPSWLK-GJZGRUSLSA-N 2 2 342.867 1.515 20 0 EDADLP Cc1ncc(C(=O)N2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)c(C(C)C)n1 ZINC000864341264 596857463 /nfs/dbraw/zinc/85/74/63/596857463.db2.gz BNYXTDIGUBQWBX-ZIAGYGMSSA-N 2 2 328.420 1.209 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000872276525 596864730 /nfs/dbraw/zinc/86/47/30/596864730.db2.gz KQCGODPETUPBLW-JKSUJKDBSA-N 2 2 332.448 1.442 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CC3(CCC3)CO2)CC1 ZINC000888684041 597018749 /nfs/dbraw/zinc/01/87/49/597018749.db2.gz SZRDLEKLTOFJHT-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)C1CC[NH2+]CC1 ZINC000872783948 597066955 /nfs/dbraw/zinc/06/69/55/597066955.db2.gz NYUPONGVCRWLRA-QMMMGPOBSA-N 2 2 339.241 1.926 20 0 EDADLP CN(C(=O)c1cnc(Cl)n1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874458961 597089054 /nfs/dbraw/zinc/08/90/54/597089054.db2.gz FAFRTYNHBQUBOT-CYBMUJFWSA-N 2 2 339.871 1.314 20 0 EDADLP CN(C(=O)c1cnc(Cl)n1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874458961 597089056 /nfs/dbraw/zinc/08/90/56/597089056.db2.gz FAFRTYNHBQUBOT-CYBMUJFWSA-N 2 2 339.871 1.314 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)[C@H](C)C1 ZINC000876207709 597137308 /nfs/dbraw/zinc/13/73/08/597137308.db2.gz VLNUCCLLCVYVFI-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)[C@H](C)C1 ZINC000876207709 597137310 /nfs/dbraw/zinc/13/73/10/597137310.db2.gz VLNUCCLLCVYVFI-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)[C@H](C)C1 ZINC000876207709 597137311 /nfs/dbraw/zinc/13/73/11/597137311.db2.gz VLNUCCLLCVYVFI-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)[C@H](C)C1 ZINC000876207709 597137313 /nfs/dbraw/zinc/13/73/13/597137313.db2.gz VLNUCCLLCVYVFI-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1C ZINC000873049763 597171422 /nfs/dbraw/zinc/17/14/22/597171422.db2.gz LNMNIMNCFNUPLS-INIZCTEOSA-N 2 2 335.448 1.545 20 0 EDADLP Cc1nonc1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000873196074 597224140 /nfs/dbraw/zinc/22/41/40/597224140.db2.gz HOFPROOBELJUKW-UHFFFAOYSA-N 2 2 332.404 1.379 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H](F)[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000876712607 597299694 /nfs/dbraw/zinc/29/96/94/597299694.db2.gz BTVRNTZHPKQXII-GDBMZVCRSA-N 2 2 349.454 1.505 20 0 EDADLP COc1c(C)cnc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1C ZINC000877009048 597410429 /nfs/dbraw/zinc/41/04/29/597410429.db2.gz RXJJXTIGLMFTKZ-UHFFFAOYSA-N 2 2 348.491 1.739 20 0 EDADLP CCC[C@@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000124738357 597461725 /nfs/dbraw/zinc/46/17/25/597461725.db2.gz MZLFHHNUIAMFHC-KAKFPZCNSA-N 2 2 348.535 1.835 20 0 EDADLP CCC[C@@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000124738357 597461730 /nfs/dbraw/zinc/46/17/30/597461730.db2.gz MZLFHHNUIAMFHC-KAKFPZCNSA-N 2 2 348.535 1.835 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]3CCC[NH2+]CC3)C2)c1 ZINC000877249534 597479449 /nfs/dbraw/zinc/47/94/49/597479449.db2.gz XEIPYRRASHAOPQ-OALUTQOASA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]3CCC[NH2+]CC3)C2)c1 ZINC000877249534 597479450 /nfs/dbraw/zinc/47/94/50/597479450.db2.gz XEIPYRRASHAOPQ-OALUTQOASA-N 2 2 345.487 1.702 20 0 EDADLP CO[C@H]1C[C@H]2C[N@H+](Cc3c[nH+]c(C)n3C)Cc3cccnc3N2C1 ZINC000877690815 597547781 /nfs/dbraw/zinc/54/77/81/597547781.db2.gz HUBUJZZVENNBCZ-RDJZCZTQSA-N 2 2 327.432 1.733 20 0 EDADLP CO[C@H]1C[C@H]2C[N@@H+](Cc3c[nH+]c(C)n3C)Cc3cccnc3N2C1 ZINC000877690815 597547782 /nfs/dbraw/zinc/54/77/82/597547782.db2.gz HUBUJZZVENNBCZ-RDJZCZTQSA-N 2 2 327.432 1.733 20 0 EDADLP COc1cccc(C[NH+]2CCN(CC(C)(C)[NH+]3CCOCC3)CC2)c1 ZINC000877705705 597549180 /nfs/dbraw/zinc/54/91/80/597549180.db2.gz QCLIZHLLJXVRAG-UHFFFAOYSA-N 2 2 347.503 1.924 20 0 EDADLP COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000877711956 597549581 /nfs/dbraw/zinc/54/95/81/597549581.db2.gz DGFHYVIKXVWDEB-KRWDZBQOSA-N 2 2 341.371 1.161 20 0 EDADLP COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000877711956 597549582 /nfs/dbraw/zinc/54/95/82/597549582.db2.gz DGFHYVIKXVWDEB-KRWDZBQOSA-N 2 2 341.371 1.161 20 0 EDADLP COC(=O)c1[nH]c(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1C ZINC000877746432 597552577 /nfs/dbraw/zinc/55/25/77/597552577.db2.gz PJJUXKQIGBASOX-UHFFFAOYSA-N 2 2 334.464 1.322 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878302425 597593940 /nfs/dbraw/zinc/59/39/40/597593940.db2.gz MXEUFISJKREYQZ-NXEZZACHSA-N 2 2 341.209 1.694 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878302425 597593941 /nfs/dbraw/zinc/59/39/41/597593941.db2.gz MXEUFISJKREYQZ-NXEZZACHSA-N 2 2 341.209 1.694 20 0 EDADLP CC(=O)c1ccc2c(c1)CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000878302653 597594003 /nfs/dbraw/zinc/59/40/03/597594003.db2.gz TYHKOQZLNHXQGN-UHFFFAOYSA-N 2 2 343.471 1.500 20 0 EDADLP CC(=O)c1ccc2c(c1)CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000878302653 597594004 /nfs/dbraw/zinc/59/40/04/597594004.db2.gz TYHKOQZLNHXQGN-UHFFFAOYSA-N 2 2 343.471 1.500 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000883202402 597684033 /nfs/dbraw/zinc/68/40/33/597684033.db2.gz ZVDNLBNTBVGPBZ-AWEZNQCLSA-N 2 2 331.395 1.905 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000883202402 597684034 /nfs/dbraw/zinc/68/40/34/597684034.db2.gz ZVDNLBNTBVGPBZ-AWEZNQCLSA-N 2 2 331.395 1.905 20 0 EDADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000883202403 597684056 /nfs/dbraw/zinc/68/40/56/597684056.db2.gz ZVDNLBNTBVGPBZ-CQSZACIVSA-N 2 2 331.395 1.905 20 0 EDADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000883202403 597684058 /nfs/dbraw/zinc/68/40/58/597684058.db2.gz ZVDNLBNTBVGPBZ-CQSZACIVSA-N 2 2 331.395 1.905 20 0 EDADLP c1ccc2c(c1)CC([NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)C2 ZINC000883369330 597725519 /nfs/dbraw/zinc/72/55/19/597725519.db2.gz OPOJXQSYZDXHGF-LJQANCHMSA-N 2 2 329.488 1.540 20 0 EDADLP O=C1CCC2=C(CC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000878884315 597746356 /nfs/dbraw/zinc/74/63/56/597746356.db2.gz CCWUAWJAGWTHBJ-HXUWFJFHSA-N 2 2 341.455 1.493 20 0 EDADLP O=C1CCC2=C(CC[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)N1 ZINC000878884315 597746360 /nfs/dbraw/zinc/74/63/60/597746360.db2.gz CCWUAWJAGWTHBJ-HXUWFJFHSA-N 2 2 341.455 1.493 20 0 EDADLP O=C1CCC2=C(CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)N1 ZINC000878884315 597746362 /nfs/dbraw/zinc/74/63/62/597746362.db2.gz CCWUAWJAGWTHBJ-HXUWFJFHSA-N 2 2 341.455 1.493 20 0 EDADLP O=C1CCC2=C(CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)N1 ZINC000878884315 597746365 /nfs/dbraw/zinc/74/63/65/597746365.db2.gz CCWUAWJAGWTHBJ-HXUWFJFHSA-N 2 2 341.455 1.493 20 0 EDADLP Cc1ncsc1CC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252381 597883259 /nfs/dbraw/zinc/88/32/59/597883259.db2.gz HVQPNGBJLJWFSF-UHFFFAOYSA-N 2 2 336.505 1.800 20 0 EDADLP CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000880436521 597934424 /nfs/dbraw/zinc/93/44/24/597934424.db2.gz WXESYTSEFMDQQS-OALUTQOASA-N 2 2 334.460 1.755 20 0 EDADLP CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000880436521 597934427 /nfs/dbraw/zinc/93/44/27/597934427.db2.gz WXESYTSEFMDQQS-OALUTQOASA-N 2 2 334.460 1.755 20 0 EDADLP CCS(=O)(=O)NCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569031 597966775 /nfs/dbraw/zinc/96/67/75/597966775.db2.gz GQTSUVZIQLJJRW-INIZCTEOSA-N 2 2 336.461 1.543 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000882491036 597975778 /nfs/dbraw/zinc/97/57/78/597975778.db2.gz ADHSIXUTCFQDMG-SFHVURJKSA-N 3 2 336.524 1.393 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000882491036 597975779 /nfs/dbraw/zinc/97/57/79/597975779.db2.gz ADHSIXUTCFQDMG-SFHVURJKSA-N 3 2 336.524 1.393 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)[C@@H](C)CO1 ZINC000884401424 598093696 /nfs/dbraw/zinc/09/36/96/598093696.db2.gz PJPZRACJWHOOLB-JJRVBVJISA-N 2 2 344.459 1.263 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)[C@@H](C)CO1 ZINC000884401424 598093699 /nfs/dbraw/zinc/09/36/99/598093699.db2.gz PJPZRACJWHOOLB-JJRVBVJISA-N 2 2 344.459 1.263 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CC3CC3)C2)c1 ZINC000884469956 598113971 /nfs/dbraw/zinc/11/39/71/598113971.db2.gz AQLOPTJJLMBNCS-ZWKOTPCHSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CC3CC3)C2)c1 ZINC000884469956 598113973 /nfs/dbraw/zinc/11/39/73/598113973.db2.gz AQLOPTJJLMBNCS-ZWKOTPCHSA-N 2 2 331.460 1.439 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC000992857693 695417648 /nfs/dbraw/zinc/41/76/48/695417648.db2.gz KDZHLXWMUVZHHX-YESZJQIVSA-N 2 2 339.443 1.764 20 0 EDADLP Cn1nccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992923507 695456013 /nfs/dbraw/zinc/45/60/13/695456013.db2.gz JOSLAKDFAULDFO-DJIMGWMZSA-N 2 2 342.447 1.034 20 0 EDADLP Cc1cc(C)n(CC[NH+]2CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001031188571 695707163 /nfs/dbraw/zinc/70/71/63/695707163.db2.gz SGWXCBYEWYULAQ-UHFFFAOYSA-N 2 2 347.507 1.421 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)cc1 ZINC000915042411 695720632 /nfs/dbraw/zinc/72/06/32/695720632.db2.gz YTETXUXVWYCAGT-ICSRJNTNSA-N 2 2 345.487 1.348 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)CC2)cc1 ZINC000915042411 695720634 /nfs/dbraw/zinc/72/06/34/695720634.db2.gz YTETXUXVWYCAGT-ICSRJNTNSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993534579 696210548 /nfs/dbraw/zinc/21/05/48/696210548.db2.gz IAQJCUDBHPYOBW-CJNGLKHVSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCC[N@H+]1CC(=O)N(C)C ZINC000993534579 696210550 /nfs/dbraw/zinc/21/05/50/696210550.db2.gz IAQJCUDBHPYOBW-CJNGLKHVSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993610467 696257362 /nfs/dbraw/zinc/25/73/62/696257362.db2.gz FSNBXCDMCCITSQ-CJNGLKHVSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCC[N@H+]1CC(=O)N(C)C ZINC000993610467 696257363 /nfs/dbraw/zinc/25/73/63/696257363.db2.gz FSNBXCDMCCITSQ-CJNGLKHVSA-N 2 2 343.431 1.005 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000993869815 696443865 /nfs/dbraw/zinc/44/38/65/696443865.db2.gz HJZWFJZELYWWJT-GOEBONIOSA-N 2 2 347.463 1.036 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000993869815 696443866 /nfs/dbraw/zinc/44/38/66/696443866.db2.gz HJZWFJZELYWWJT-GOEBONIOSA-N 2 2 347.463 1.036 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)[C@H]1C ZINC000994417154 696833065 /nfs/dbraw/zinc/83/30/65/696833065.db2.gz CHBBFARFBWEEOR-SUMWQHHRSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@H]1C ZINC000994417154 696833068 /nfs/dbraw/zinc/83/30/68/696833068.db2.gz CHBBFARFBWEEOR-SUMWQHHRSA-N 2 2 345.422 1.895 20 0 EDADLP C[C@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)[C@H](C)[NH+]1CCOCC1 ZINC000917015731 696877673 /nfs/dbraw/zinc/87/76/73/696877673.db2.gz MEGCQCIDPSOYFT-KBPBESRZSA-N 2 2 335.452 1.056 20 0 EDADLP CCn1cc(CC[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)cn1 ZINC000994503071 696940511 /nfs/dbraw/zinc/94/05/11/696940511.db2.gz FJWHEMLQBHCIQI-RDJZCZTQSA-N 2 2 344.463 1.311 20 0 EDADLP CCn1cc(CC[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)cn1 ZINC000994503071 696940512 /nfs/dbraw/zinc/94/05/12/696940512.db2.gz FJWHEMLQBHCIQI-RDJZCZTQSA-N 2 2 344.463 1.311 20 0 EDADLP CC(=O)Nc1ccc2c(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc(=O)oc2c1 ZINC000917198601 696969520 /nfs/dbraw/zinc/96/95/20/696969520.db2.gz GZEBWYLZNNQVLI-ZIAGYGMSSA-N 2 2 327.384 1.403 20 0 EDADLP Cc1cc(C)cc(OCC[NH+]2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031384225 697003755 /nfs/dbraw/zinc/00/37/55/697003755.db2.gz CGGRBRZYVBCFRI-MRXNPFEDSA-N 2 2 331.460 1.434 20 0 EDADLP Cc1cc(C)cc(OCC[NH+]2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001031384225 697003757 /nfs/dbraw/zinc/00/37/57/697003757.db2.gz CGGRBRZYVBCFRI-MRXNPFEDSA-N 2 2 331.460 1.434 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001031418940 697072803 /nfs/dbraw/zinc/07/28/03/697072803.db2.gz PIEFUMCEQGLVKJ-DZGCQCFKSA-N 2 2 345.434 1.333 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001031418940 697072806 /nfs/dbraw/zinc/07/28/06/697072806.db2.gz PIEFUMCEQGLVKJ-DZGCQCFKSA-N 2 2 345.434 1.333 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668204 697459740 /nfs/dbraw/zinc/45/97/40/697459740.db2.gz AEBVZGDHLLCCBN-CABCVRRESA-N 2 2 349.504 1.269 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668204 697459741 /nfs/dbraw/zinc/45/97/41/697459741.db2.gz AEBVZGDHLLCCBN-CABCVRRESA-N 2 2 349.504 1.269 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)cn1 ZINC001031668201 697459776 /nfs/dbraw/zinc/45/97/76/697459776.db2.gz ADJRFZIJCSMTLH-WMZOPIPTSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)cn1 ZINC001031668201 697459777 /nfs/dbraw/zinc/45/97/77/697459777.db2.gz ADJRFZIJCSMTLH-WMZOPIPTSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](CC[C@@H]4CCOC4)C3)ccn12 ZINC001031670141 697466844 /nfs/dbraw/zinc/46/68/44/697466844.db2.gz CERNRVONERKBLN-OAHLLOKOSA-N 2 2 342.443 1.731 20 0 EDADLP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060750363 697731569 /nfs/dbraw/zinc/73/15/69/697731569.db2.gz XCQGPTYTCCZKBA-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060750363 697731572 /nfs/dbraw/zinc/73/15/72/697731572.db2.gz XCQGPTYTCCZKBA-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001031714760 697737566 /nfs/dbraw/zinc/73/75/66/697737566.db2.gz MCQDWEDWNQKMAV-KRWDZBQOSA-N 2 2 331.464 1.207 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001031714760 697737571 /nfs/dbraw/zinc/73/75/71/697737571.db2.gz MCQDWEDWNQKMAV-KRWDZBQOSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)o1 ZINC000940082934 700177199 /nfs/dbraw/zinc/17/71/99/700177199.db2.gz FCZLJHDTHNOKEN-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)o1 ZINC000943178988 697877062 /nfs/dbraw/zinc/87/70/62/697877062.db2.gz WFQAQXQFTGLFQA-XHDPSFHLSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)o1 ZINC000943178988 697877065 /nfs/dbraw/zinc/87/70/65/697877065.db2.gz WFQAQXQFTGLFQA-XHDPSFHLSA-N 2 2 331.420 1.584 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943256348 698022136 /nfs/dbraw/zinc/02/21/36/698022136.db2.gz SHJSOYQVZWOPGT-SJORKVTESA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943256348 698022141 /nfs/dbraw/zinc/02/21/41/698022141.db2.gz SHJSOYQVZWOPGT-SJORKVTESA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943765947 698816754 /nfs/dbraw/zinc/81/67/54/698816754.db2.gz FXVLWPBZTOKKHW-RHSMWYFYSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943765947 698816759 /nfs/dbraw/zinc/81/67/59/698816759.db2.gz FXVLWPBZTOKKHW-RHSMWYFYSA-N 2 2 342.443 1.471 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943766731 698819647 /nfs/dbraw/zinc/81/96/47/698819647.db2.gz NRRIFQBWYBGKSD-YPMHNXCESA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943766731 698819651 /nfs/dbraw/zinc/81/96/51/698819651.db2.gz NRRIFQBWYBGKSD-YPMHNXCESA-N 2 2 333.461 1.744 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943877502 698983490 /nfs/dbraw/zinc/98/34/90/698983490.db2.gz NXKAGOOMEMZYHY-YJBOKZPZSA-N 2 2 342.443 1.959 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000943877502 698983491 /nfs/dbraw/zinc/98/34/91/698983491.db2.gz NXKAGOOMEMZYHY-YJBOKZPZSA-N 2 2 342.443 1.959 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)cn1 ZINC001031765943 699060596 /nfs/dbraw/zinc/06/05/96/699060596.db2.gz VYBRQLUUAUSWHX-MSOLQXFVSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)cn1 ZINC001031765943 699060598 /nfs/dbraw/zinc/06/05/98/699060598.db2.gz VYBRQLUUAUSWHX-MSOLQXFVSA-N 2 2 343.475 1.350 20 0 EDADLP CC[NH+]1CC(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)C1 ZINC000941506358 701562942 /nfs/dbraw/zinc/56/29/42/701562942.db2.gz JSZSDEGSLXEZII-UHFFFAOYSA-N 2 2 339.443 1.334 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000939209028 699354981 /nfs/dbraw/zinc/35/49/81/699354981.db2.gz FIPIWRDTJKYOSS-MEDUHNTESA-N 2 2 340.387 1.125 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939211193 699359786 /nfs/dbraw/zinc/35/97/86/699359786.db2.gz RCLZADCZXABIHF-IAQYHMDHSA-N 2 2 331.420 1.448 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939211957 699360207 /nfs/dbraw/zinc/36/02/07/699360207.db2.gz VIWMRHRAZYXDEB-WMLDXEAASA-N 2 2 342.443 1.906 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939215613 699387707 /nfs/dbraw/zinc/38/77/07/699387707.db2.gz PYWLWOIIOSOEEW-IAQYHMDHSA-N 2 2 334.370 1.867 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2nncs2)CC3)C1 ZINC001040939452 701588557 /nfs/dbraw/zinc/58/85/57/701588557.db2.gz RZSUSPHHGYVHTF-AWEZNQCLSA-N 2 2 349.504 1.304 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2nncs2)CC3)C1 ZINC001040939452 701588558 /nfs/dbraw/zinc/58/85/58/701588558.db2.gz RZSUSPHHGYVHTF-AWEZNQCLSA-N 2 2 349.504 1.304 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000995162479 701591079 /nfs/dbraw/zinc/59/10/79/701591079.db2.gz SUFLWXJBRIJDTA-QWHCGFSZSA-N 2 2 333.461 1.494 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000995162989 701593885 /nfs/dbraw/zinc/59/38/85/701593885.db2.gz UVOBCJRFCYGWQM-CHWSQXEVSA-N 2 2 333.461 1.494 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C)n1 ZINC000939455347 699601904 /nfs/dbraw/zinc/60/19/04/699601904.db2.gz YOCMOVNYVHVDPO-CZUORRHYSA-N 2 2 349.479 1.435 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939534500 699675648 /nfs/dbraw/zinc/67/56/48/699675648.db2.gz KSOBZXMCVRCQCN-RDTXWAMCSA-N 2 2 342.443 1.092 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)c(C)s1 ZINC000939535625 699676441 /nfs/dbraw/zinc/67/64/41/699676441.db2.gz RALWYXZFSOPLPY-BDJLRTHQSA-N 2 2 347.488 1.673 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)c(C)s1 ZINC000939535626 699676548 /nfs/dbraw/zinc/67/65/48/699676548.db2.gz RALWYXZFSOPLPY-BZNIZROVSA-N 2 2 347.488 1.673 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939535884 699676819 /nfs/dbraw/zinc/67/68/19/699676819.db2.gz SIEDZVBVHKXGEM-RISCZKNCSA-N 2 2 326.391 1.444 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939536276 699677457 /nfs/dbraw/zinc/67/74/57/699677457.db2.gz VIQODZULKGURKE-ZFWWWQNUSA-N 2 2 327.432 1.719 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939542079 699682979 /nfs/dbraw/zinc/68/29/79/699682979.db2.gz RZVWEEUJVKSYQU-DOMZBBRYSA-N 2 2 342.447 1.422 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000939624035 699761629 /nfs/dbraw/zinc/76/16/29/699761629.db2.gz WFBUIVZHODRIJH-SUMWQHHRSA-N 2 2 344.463 1.675 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)s1 ZINC000939627406 699765033 /nfs/dbraw/zinc/76/50/33/699765033.db2.gz SJLGTHMUDMXCNJ-HZMBPMFUSA-N 2 2 333.461 1.662 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000939640917 699770357 /nfs/dbraw/zinc/77/03/57/699770357.db2.gz BJMUKSCJXDIRFG-QAPCUYQASA-N 2 2 326.444 1.989 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)s1 ZINC000939641532 699771050 /nfs/dbraw/zinc/77/10/50/699771050.db2.gz FOXBBWKSKPSISI-IUODEOHRSA-N 2 2 347.488 1.754 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939643929 699784207 /nfs/dbraw/zinc/78/42/07/699784207.db2.gz YCGAAXNEKSYZBX-PBHICJAKSA-N 2 2 327.432 1.384 20 0 EDADLP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940145138 700275197 /nfs/dbraw/zinc/27/51/97/700275197.db2.gz UHOTYKKPVVDJJZ-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940145138 700275200 /nfs/dbraw/zinc/27/52/00/700275200.db2.gz UHOTYKKPVVDJJZ-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000940159864 700292479 /nfs/dbraw/zinc/29/24/79/700292479.db2.gz ZFMFLABHLKXZCU-HUUCEWRRSA-N 2 2 343.431 1.981 20 0 EDADLP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000940159864 700292484 /nfs/dbraw/zinc/29/24/84/700292484.db2.gz ZFMFLABHLKXZCU-HUUCEWRRSA-N 2 2 343.431 1.981 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC000940214214 700353830 /nfs/dbraw/zinc/35/38/30/700353830.db2.gz BEZBFBXQKIZPRB-UHFFFAOYSA-N 2 2 331.420 1.659 20 0 EDADLP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000940242987 700403839 /nfs/dbraw/zinc/40/38/39/700403839.db2.gz BWQWOFWTLZCPEB-UHFFFAOYSA-N 2 2 344.463 1.661 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1)n1cc[nH+]c1 ZINC000940357095 700518768 /nfs/dbraw/zinc/51/87/68/700518768.db2.gz CHTIWQFBOHTSFU-ZDUSSCGKSA-N 2 2 332.408 1.388 20 0 EDADLP Cc1csc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000940354124 700537646 /nfs/dbraw/zinc/53/76/46/700537646.db2.gz XMVXLVZVGHCDBZ-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CCO1 ZINC000940393211 700570045 /nfs/dbraw/zinc/57/00/45/700570045.db2.gz YGUFUEHQPQGKSK-CABCVRRESA-N 2 2 334.464 1.738 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621890 700783498 /nfs/dbraw/zinc/78/34/98/700783498.db2.gz WWTOBSBYSMLWDJ-CVEARBPZSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621890 700783499 /nfs/dbraw/zinc/78/34/99/700783499.db2.gz WWTOBSBYSMLWDJ-CVEARBPZSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621890 700783501 /nfs/dbraw/zinc/78/35/01/700783501.db2.gz WWTOBSBYSMLWDJ-CVEARBPZSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621890 700783502 /nfs/dbraw/zinc/78/35/02/700783502.db2.gz WWTOBSBYSMLWDJ-CVEARBPZSA-N 2 2 347.507 1.714 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940624606 700786294 /nfs/dbraw/zinc/78/62/94/700786294.db2.gz IKEMVQJMZFIPLI-DLBZAZTESA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940624606 700786296 /nfs/dbraw/zinc/78/62/96/700786296.db2.gz IKEMVQJMZFIPLI-DLBZAZTESA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940624606 700786297 /nfs/dbraw/zinc/78/62/97/700786297.db2.gz IKEMVQJMZFIPLI-DLBZAZTESA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940624606 700786299 /nfs/dbraw/zinc/78/62/99/700786299.db2.gz IKEMVQJMZFIPLI-DLBZAZTESA-N 2 2 345.491 1.596 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccns2)CC1(C)C ZINC000940624810 700786423 /nfs/dbraw/zinc/78/64/23/700786423.db2.gz KCUBJUVNTLYLPY-CABCVRRESA-N 2 2 336.505 1.954 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccns2)CC1(C)C ZINC000940624810 700786425 /nfs/dbraw/zinc/78/64/25/700786425.db2.gz KCUBJUVNTLYLPY-CABCVRRESA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccns2)CC1(C)C ZINC000940624810 700786426 /nfs/dbraw/zinc/78/64/26/700786426.db2.gz KCUBJUVNTLYLPY-CABCVRRESA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccns2)CC1(C)C ZINC000940624810 700786428 /nfs/dbraw/zinc/78/64/28/700786428.db2.gz KCUBJUVNTLYLPY-CABCVRRESA-N 2 2 336.505 1.954 20 0 EDADLP Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842639 700938573 /nfs/dbraw/zinc/93/85/73/700938573.db2.gz LBPRFWKBSVKBLD-SJORKVTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842639 700938574 /nfs/dbraw/zinc/93/85/74/700938574.db2.gz LBPRFWKBSVKBLD-SJORKVTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842639 700938575 /nfs/dbraw/zinc/93/85/75/700938575.db2.gz LBPRFWKBSVKBLD-SJORKVTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842639 700938576 /nfs/dbraw/zinc/93/85/76/700938576.db2.gz LBPRFWKBSVKBLD-SJORKVTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C(C)(C)C2)n1 ZINC000940842618 700938623 /nfs/dbraw/zinc/93/86/23/700938623.db2.gz KLDXLUKFQHQOHQ-IRXDYDNUSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C(C)(C)C2)n1 ZINC000940842618 700938624 /nfs/dbraw/zinc/93/86/24/700938624.db2.gz KLDXLUKFQHQOHQ-IRXDYDNUSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940842618 700938625 /nfs/dbraw/zinc/93/86/25/700938625.db2.gz KLDXLUKFQHQOHQ-IRXDYDNUSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940842618 700938626 /nfs/dbraw/zinc/93/86/26/700938626.db2.gz KLDXLUKFQHQOHQ-IRXDYDNUSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867632 700948922 /nfs/dbraw/zinc/94/89/22/700948922.db2.gz GVBNJPGMMGCKSD-SWLSCSKDSA-N 2 2 343.431 1.038 20 0 EDADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867632 700948924 /nfs/dbraw/zinc/94/89/24/700948924.db2.gz GVBNJPGMMGCKSD-SWLSCSKDSA-N 2 2 343.431 1.038 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cc(C)no3)C2)C1 ZINC001031916918 701009598 /nfs/dbraw/zinc/00/95/98/701009598.db2.gz IUKMHKJSFNUOEM-MRXNPFEDSA-N 2 2 334.464 1.653 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cc(C)no3)C2)C1 ZINC001031916918 701009600 /nfs/dbraw/zinc/00/96/00/701009600.db2.gz IUKMHKJSFNUOEM-MRXNPFEDSA-N 2 2 334.464 1.653 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995116431 701053046 /nfs/dbraw/zinc/05/30/46/701053046.db2.gz NIFCRECFKOKXHE-ZBFHGGJFSA-N 2 2 327.432 1.730 20 0 EDADLP CC(C)=CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920419 701058052 /nfs/dbraw/zinc/05/80/52/701058052.db2.gz FDYOSQVBGCHIEZ-SFHVURJKSA-N 2 2 335.492 1.644 20 0 EDADLP CC(C)=CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920419 701058053 /nfs/dbraw/zinc/05/80/53/701058053.db2.gz FDYOSQVBGCHIEZ-SFHVURJKSA-N 2 2 335.492 1.644 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001031921076 701061099 /nfs/dbraw/zinc/06/10/99/701061099.db2.gz HIBHLAVQKFARFH-YOEHRIQHSA-N 2 2 346.475 1.369 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001031921076 701061101 /nfs/dbraw/zinc/06/11/01/701061101.db2.gz HIBHLAVQKFARFH-YOEHRIQHSA-N 2 2 346.475 1.369 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995116977 701071041 /nfs/dbraw/zinc/07/10/41/701071041.db2.gz NZCDZAIPYQKIOM-UONOGXRCSA-N 2 2 343.431 1.431 20 0 EDADLP CCCn1ncnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995117146 701071704 /nfs/dbraw/zinc/07/17/04/701071704.db2.gz OOJCVYUNVRTPMY-ZIAGYGMSSA-N 2 2 345.451 1.028 20 0 EDADLP CCCn1ncnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995117139 701071833 /nfs/dbraw/zinc/07/18/33/701071833.db2.gz OOJCVYUNVRTPMY-KGLIPLIRSA-N 2 2 345.451 1.028 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)o1 ZINC000945806355 701196227 /nfs/dbraw/zinc/19/62/27/701196227.db2.gz CXNZRQGTMTWZFA-IUODEOHRSA-N 2 2 331.420 1.515 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163980 701229206 /nfs/dbraw/zinc/22/92/06/701229206.db2.gz RCPDIPZXTZOCHS-CVEARBPZSA-N 2 2 345.491 1.535 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163980 701229208 /nfs/dbraw/zinc/22/92/08/701229208.db2.gz RCPDIPZXTZOCHS-CVEARBPZSA-N 2 2 345.491 1.535 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163980 701229211 /nfs/dbraw/zinc/22/92/11/701229211.db2.gz RCPDIPZXTZOCHS-CVEARBPZSA-N 2 2 345.491 1.535 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163980 701229212 /nfs/dbraw/zinc/22/92/12/701229212.db2.gz RCPDIPZXTZOCHS-CVEARBPZSA-N 2 2 345.491 1.535 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941165755 701376902 /nfs/dbraw/zinc/37/69/02/701376902.db2.gz CAISHKVDBORGNG-OAHLLOKOSA-N 2 2 347.463 1.191 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941165755 701376903 /nfs/dbraw/zinc/37/69/03/701376903.db2.gz CAISHKVDBORGNG-OAHLLOKOSA-N 2 2 347.463 1.191 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccc(F)cc3F)C2)CC1 ZINC001031947625 701503217 /nfs/dbraw/zinc/50/32/17/701503217.db2.gz JLGFTZYSPJWBEB-UHFFFAOYSA-N 2 2 337.414 1.855 20 0 EDADLP CC[C@H](F)C[NH+]1CC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000941436989 701540211 /nfs/dbraw/zinc/54/02/11/701540211.db2.gz NHIOZEFPSHNIHY-HNNXBMFYSA-N 2 2 340.487 1.047 20 0 EDADLP Cn1cc(CC[NH2+][C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)cn1 ZINC000995742006 701912905 /nfs/dbraw/zinc/91/29/05/701912905.db2.gz ASHTWPKXIAUMTP-HNNXBMFYSA-N 2 2 344.463 1.145 20 0 EDADLP C[C@H]([NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C)c1nncn1C ZINC000995744348 701953203 /nfs/dbraw/zinc/95/32/03/701953203.db2.gz GIUWHPUECGIBNZ-STQMWFEESA-N 2 2 345.451 1.059 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1C ZINC000944444104 702029155 /nfs/dbraw/zinc/02/91/55/702029155.db2.gz IODVXCJQHAZHST-XJKSGUPXSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1C ZINC000944444104 702029159 /nfs/dbraw/zinc/02/91/59/702029159.db2.gz IODVXCJQHAZHST-XJKSGUPXSA-N 2 2 327.432 1.682 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995830784 702105745 /nfs/dbraw/zinc/10/57/45/702105745.db2.gz IJBQDMVBTSFHFY-MCIONIFRSA-N 2 2 349.479 1.299 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995830784 702105752 /nfs/dbraw/zinc/10/57/52/702105752.db2.gz IJBQDMVBTSFHFY-MCIONIFRSA-N 2 2 349.479 1.299 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC000995185317 702122699 /nfs/dbraw/zinc/12/26/99/702122699.db2.gz NGZPUTRZSDUKRV-UONOGXRCSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000995187342 702198064 /nfs/dbraw/zinc/19/80/64/702198064.db2.gz RSTNKDNHTBWZHE-HOCLYGCPSA-N 2 2 327.432 1.730 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995900806 702206929 /nfs/dbraw/zinc/20/69/29/702206929.db2.gz ZPINFIZJKRUCOG-BBRMVZONSA-N 2 2 349.479 1.299 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995900807 702207411 /nfs/dbraw/zinc/20/74/11/702207411.db2.gz ZPINFIZJKRUCOG-CJNGLKHVSA-N 2 2 349.479 1.299 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1)[NH+](C)C ZINC000995923614 702248530 /nfs/dbraw/zinc/24/85/30/702248530.db2.gz IAKVWFSCKIVXQM-KGLIPLIRSA-N 2 2 339.509 1.451 20 0 EDADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000996090373 702500451 /nfs/dbraw/zinc/50/04/51/702500451.db2.gz HLXJOVCWIPYFKW-WMLDXEAASA-N 2 2 342.443 1.693 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)on1 ZINC000996106657 702529226 /nfs/dbraw/zinc/52/92/26/702529226.db2.gz OSYDZXVDIUHBRC-AWEZNQCLSA-N 2 2 347.419 1.297 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC2(C)C)o1 ZINC000996138597 702567897 /nfs/dbraw/zinc/56/78/97/702567897.db2.gz VAFGHFDRNLZAGT-AWEZNQCLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996220853 702632052 /nfs/dbraw/zinc/63/20/52/702632052.db2.gz GKUHXHWVYZTZBS-WFASDCNBSA-N 2 2 349.479 1.607 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC000996561005 702874794 /nfs/dbraw/zinc/87/47/94/702874794.db2.gz GBCLOTHNVNPKTP-HOCLYGCPSA-N 2 2 334.464 1.656 20 0 EDADLP C[N@H+](CC(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1)C1CCC1 ZINC000996666454 702963298 /nfs/dbraw/zinc/96/32/98/702963298.db2.gz RVCUDYKTSCSODO-UHFFFAOYSA-N 2 2 347.463 1.512 20 0 EDADLP C[N@@H+](CC(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1)C1CCC1 ZINC000996666454 702963300 /nfs/dbraw/zinc/96/33/00/702963300.db2.gz RVCUDYKTSCSODO-UHFFFAOYSA-N 2 2 347.463 1.512 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)o1 ZINC000996668549 702966067 /nfs/dbraw/zinc/96/60/67/702966067.db2.gz FBGACZRIXPSJHR-HNNXBMFYSA-N 2 2 349.479 1.581 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996678494 702977361 /nfs/dbraw/zinc/97/73/61/702977361.db2.gz NZGZCPGRBRDPNX-CYBMUJFWSA-N 2 2 346.460 1.393 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1cccc(F)c1 ZINC001032315616 702978030 /nfs/dbraw/zinc/97/80/30/702978030.db2.gz RPGOIIWHJOYTRO-BQFCYCMXSA-N 2 2 347.434 1.584 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1cccc(F)c1 ZINC001032315616 702978031 /nfs/dbraw/zinc/97/80/31/702978031.db2.gz RPGOIIWHJOYTRO-BQFCYCMXSA-N 2 2 347.434 1.584 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1cccc(F)c1 ZINC001032315616 702978032 /nfs/dbraw/zinc/97/80/32/702978032.db2.gz RPGOIIWHJOYTRO-BQFCYCMXSA-N 2 2 347.434 1.584 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1cccc(F)c1 ZINC001032315616 702978033 /nfs/dbraw/zinc/97/80/33/702978033.db2.gz RPGOIIWHJOYTRO-BQFCYCMXSA-N 2 2 347.434 1.584 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995251548 702979276 /nfs/dbraw/zinc/97/92/76/702979276.db2.gz PXLQBYCPRUEBNQ-ZFWWWQNUSA-N 2 2 331.395 1.492 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000996711899 703006390 /nfs/dbraw/zinc/00/63/90/703006390.db2.gz CGWLNFPSVYOIOX-SJORKVTESA-N 2 2 348.491 1.651 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)C[C@@H]1C ZINC000942518438 703018770 /nfs/dbraw/zinc/01/87/70/703018770.db2.gz RPIUEGSFADCXQB-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cscn2)C[C@@H]1C ZINC000942518438 703018772 /nfs/dbraw/zinc/01/87/72/703018772.db2.gz RPIUEGSFADCXQB-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996730722 703027638 /nfs/dbraw/zinc/02/76/38/703027638.db2.gz ITGCHBWYMMMKID-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP Cn1nccc1C[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000996732627 703029462 /nfs/dbraw/zinc/02/94/62/703029462.db2.gz XLLYHDCSVKEFNK-UHFFFAOYSA-N 2 2 338.415 1.691 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942537404 703038080 /nfs/dbraw/zinc/03/80/80/703038080.db2.gz AJEVDQPFIJABGE-QAPCUYQASA-N 2 2 342.443 1.959 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000942537404 703038083 /nfs/dbraw/zinc/03/80/83/703038083.db2.gz AJEVDQPFIJABGE-QAPCUYQASA-N 2 2 342.443 1.959 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996820439 703107587 /nfs/dbraw/zinc/10/75/87/703107587.db2.gz KFIYUCAAHWPYJA-CHWSQXEVSA-N 2 2 344.381 1.979 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1)c1ncccn1 ZINC000996835380 703122924 /nfs/dbraw/zinc/12/29/24/703122924.db2.gz RNVHQHRUNXXKHO-AWEZNQCLSA-N 2 2 342.447 1.485 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996986739 703244663 /nfs/dbraw/zinc/24/46/63/703244663.db2.gz BINLSZFWKJWUSK-OAHLLOKOSA-N 2 2 343.431 1.907 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000996995861 703252916 /nfs/dbraw/zinc/25/29/16/703252916.db2.gz RZPAGSWBSYYNMH-CQSZACIVSA-N 2 2 349.479 1.615 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000996995861 703252918 /nfs/dbraw/zinc/25/29/18/703252918.db2.gz RZPAGSWBSYYNMH-CQSZACIVSA-N 2 2 349.479 1.615 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000997015353 703274197 /nfs/dbraw/zinc/27/41/97/703274197.db2.gz HLVNQGYSNXYWHK-ZIAGYGMSSA-N 2 2 345.472 1.761 20 0 EDADLP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)cn1 ZINC000997016475 703275259 /nfs/dbraw/zinc/27/52/59/703275259.db2.gz LPLKFLDFYNUILE-HZPDHXFCSA-N 2 2 342.447 1.038 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC000997045306 703294106 /nfs/dbraw/zinc/29/41/06/703294106.db2.gz LKZIFYFGFRKDBD-JKSUJKDBSA-N 2 2 334.464 1.841 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000997083885 703322228 /nfs/dbraw/zinc/32/22/28/703322228.db2.gz JJDICGPDUFLHJX-CQSZACIVSA-N 2 2 327.432 1.764 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000997083885 703322230 /nfs/dbraw/zinc/32/22/30/703322230.db2.gz JJDICGPDUFLHJX-CQSZACIVSA-N 2 2 327.432 1.764 20 0 EDADLP COc1ccc(CC[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000997126834 703386086 /nfs/dbraw/zinc/38/60/86/703386086.db2.gz ONARBDYVSGBYDC-UHFFFAOYSA-N 2 2 342.443 1.784 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000997129437 703388627 /nfs/dbraw/zinc/38/86/27/703388627.db2.gz ZAOHMGLLRJPHLG-UHFFFAOYSA-N 2 2 333.823 1.781 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1)c1cnccn1 ZINC000997178078 703464682 /nfs/dbraw/zinc/46/46/82/703464682.db2.gz BLWCGPUWDOZFCQ-CYBMUJFWSA-N 2 2 328.420 1.094 20 0 EDADLP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC000997210055 703509645 /nfs/dbraw/zinc/50/96/45/703509645.db2.gz GPRIUCVVJPBMJT-GFCCVEGCSA-N 2 2 346.435 1.548 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)on1 ZINC000997237875 703524562 /nfs/dbraw/zinc/52/45/62/703524562.db2.gz QSKVILTUTWQWPJ-UHFFFAOYSA-N 2 2 347.419 1.130 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001060825085 703554949 /nfs/dbraw/zinc/55/49/49/703554949.db2.gz NYPXYUZVHHYJDT-CVEARBPZSA-N 2 2 331.464 1.756 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001060825085 703554950 /nfs/dbraw/zinc/55/49/50/703554950.db2.gz NYPXYUZVHHYJDT-CVEARBPZSA-N 2 2 331.464 1.756 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1F)C1CC1 ZINC001032445792 703614596 /nfs/dbraw/zinc/61/45/96/703614596.db2.gz QVZPYIGZKRAACH-LNLFQRSKSA-N 2 2 345.462 1.994 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1F)C1CC1 ZINC001032445792 703614597 /nfs/dbraw/zinc/61/45/97/703614597.db2.gz QVZPYIGZKRAACH-LNLFQRSKSA-N 2 2 345.462 1.994 20 0 EDADLP CCn1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000997514230 703762499 /nfs/dbraw/zinc/76/24/99/703762499.db2.gz CNVSSLJGGKUCAC-YOEHRIQHSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC000997514230 703762500 /nfs/dbraw/zinc/76/25/00/703762500.db2.gz CNVSSLJGGKUCAC-YOEHRIQHSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1ncnc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997515838 703763510 /nfs/dbraw/zinc/76/35/10/703763510.db2.gz NOBAFVUZYJIPAZ-HOCLYGCPSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1ncnc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997515838 703763511 /nfs/dbraw/zinc/76/35/11/703763511.db2.gz NOBAFVUZYJIPAZ-HOCLYGCPSA-N 2 2 348.495 1.109 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cc4n(n3)CCC4)C2)CC[N@@H+]1C ZINC001033091217 704166015 /nfs/dbraw/zinc/16/60/15/704166015.db2.gz ILAZEAIXDIHNJB-FHLIZLRMSA-N 2 2 345.491 1.202 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cc4n(n3)CCC4)C2)CC[N@H+]1C ZINC001033091217 704166016 /nfs/dbraw/zinc/16/60/16/704166016.db2.gz ILAZEAIXDIHNJB-FHLIZLRMSA-N 2 2 345.491 1.202 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cc4n(n3)CCC4)C2)CC[NH+]1C ZINC001033091217 704166017 /nfs/dbraw/zinc/16/60/17/704166017.db2.gz ILAZEAIXDIHNJB-FHLIZLRMSA-N 2 2 345.491 1.202 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc4n(n3)CCC4)C2)CC[NH+]1C ZINC001033091217 704166018 /nfs/dbraw/zinc/16/60/18/704166018.db2.gz ILAZEAIXDIHNJB-FHLIZLRMSA-N 2 2 345.491 1.202 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999301850 706804849 /nfs/dbraw/zinc/80/48/49/706804849.db2.gz CYSQHOWJEMQECI-ZFWWWQNUSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999301850 706804850 /nfs/dbraw/zinc/80/48/50/706804850.db2.gz CYSQHOWJEMQECI-ZFWWWQNUSA-N 2 2 337.493 1.493 20 0 EDADLP CCO[C@@H](C[NH2+]Cc1c(C)n(C)n(-c2ccccc2)c1=O)C[NH+](C)C ZINC000922756949 704316580 /nfs/dbraw/zinc/31/65/80/704316580.db2.gz QRIROXXOBQEKNP-KRWDZBQOSA-N 2 2 346.475 1.541 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000922834935 704400493 /nfs/dbraw/zinc/40/04/93/704400493.db2.gz SJJJJKYOMPCUEU-HNNXBMFYSA-N 2 2 331.420 1.244 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)c1ncccn1 ZINC000997737678 704634833 /nfs/dbraw/zinc/63/48/33/704634833.db2.gz KTWXGVMSGOQAGL-CQSZACIVSA-N 2 2 342.447 1.722 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032545281 704647771 /nfs/dbraw/zinc/64/77/71/704647771.db2.gz ZOJHLJHMFZYHLU-JQFCIGGWSA-N 2 2 326.400 1.152 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032545281 704647773 /nfs/dbraw/zinc/64/77/73/704647773.db2.gz ZOJHLJHMFZYHLU-JQFCIGGWSA-N 2 2 326.400 1.152 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)nn1 ZINC000944945272 704798165 /nfs/dbraw/zinc/79/81/65/704798165.db2.gz QQQNWZFVGWSVFQ-NVXWUHKLSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)nn1 ZINC000944945272 704798168 /nfs/dbraw/zinc/79/81/68/704798168.db2.gz QQQNWZFVGWSVFQ-NVXWUHKLSA-N 2 2 348.495 1.281 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)C[C@@H]1C ZINC000944946658 704799704 /nfs/dbraw/zinc/79/97/04/704799704.db2.gz YCLKRHJXRIPISD-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cscn2)C[C@@H]1C ZINC000944946658 704799705 /nfs/dbraw/zinc/79/97/05/704799705.db2.gz YCLKRHJXRIPISD-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963470 704828958 /nfs/dbraw/zinc/82/89/58/704828958.db2.gz ALKWCBIBXOGDRB-TZMCWYRMSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944963470 704828962 /nfs/dbraw/zinc/82/89/62/704828962.db2.gz ALKWCBIBXOGDRB-TZMCWYRMSA-N 2 2 346.435 1.164 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)co1 ZINC000944965421 704835676 /nfs/dbraw/zinc/83/56/76/704835676.db2.gz SMGPUECBSONQLK-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)co1 ZINC000944965421 704835682 /nfs/dbraw/zinc/83/56/82/704835682.db2.gz SMGPUECBSONQLK-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+][C@@H](C)c2nnc(C)o2)CC1 ZINC000997913780 704975474 /nfs/dbraw/zinc/97/54/74/704975474.db2.gz FBKJKBWLWIABON-ZDUSSCGKSA-N 2 2 346.435 1.472 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nnc(C)o2)CC1 ZINC000997948124 705069928 /nfs/dbraw/zinc/06/99/28/705069928.db2.gz GMHLKKHDWBVUGG-CVEARBPZSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nnc(C)o2)CC1 ZINC000997948124 705069933 /nfs/dbraw/zinc/06/99/33/705069933.db2.gz GMHLKKHDWBVUGG-CVEARBPZSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000997948124 705069940 /nfs/dbraw/zinc/06/99/40/705069940.db2.gz GMHLKKHDWBVUGG-CVEARBPZSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000997948124 705069946 /nfs/dbraw/zinc/06/99/46/705069946.db2.gz GMHLKKHDWBVUGG-CVEARBPZSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000997960362 705093738 /nfs/dbraw/zinc/09/37/38/705093738.db2.gz LFRRSACOMSQGOU-QBGJIXDNSA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000997960362 705093744 /nfs/dbraw/zinc/09/37/44/705093744.db2.gz LFRRSACOMSQGOU-QBGJIXDNSA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000997960362 705093748 /nfs/dbraw/zinc/09/37/48/705093748.db2.gz LFRRSACOMSQGOU-QBGJIXDNSA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000997960362 705093751 /nfs/dbraw/zinc/09/37/51/705093751.db2.gz LFRRSACOMSQGOU-QBGJIXDNSA-N 2 2 343.899 1.773 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000998119491 705369085 /nfs/dbraw/zinc/36/90/85/705369085.db2.gz MFQXNPJIIQMRCV-CQSZACIVSA-N 2 2 342.447 1.640 20 0 EDADLP Cc1noc(C[NH2+]CC2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)n1 ZINC000998127043 705388965 /nfs/dbraw/zinc/38/89/65/705388965.db2.gz OMVKFCRPOVDENU-CYBMUJFWSA-N 2 2 346.435 1.554 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998140025 705406599 /nfs/dbraw/zinc/40/65/99/705406599.db2.gz ZCKQWAMLYIXNSY-CQSZACIVSA-N 2 2 344.463 1.350 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998140025 705406603 /nfs/dbraw/zinc/40/66/03/705406603.db2.gz ZCKQWAMLYIXNSY-CQSZACIVSA-N 2 2 344.463 1.350 20 0 EDADLP Cn1ccc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)n1 ZINC000998252702 705607121 /nfs/dbraw/zinc/60/71/21/705607121.db2.gz ACZQJTCMTHTCEG-UHFFFAOYSA-N 2 2 344.463 1.115 20 0 EDADLP CC(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C(F)(F)F ZINC000998300025 705704466 /nfs/dbraw/zinc/70/44/66/705704466.db2.gz DOZBZEWWEYMZEF-UONOGXRCSA-N 2 2 346.397 1.988 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@@H]2C)c1 ZINC001032627195 705734567 /nfs/dbraw/zinc/73/45/67/705734567.db2.gz RKJLCTZHGOFODT-SZMVWBNQSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@@H]2C)c1 ZINC001032627195 705734569 /nfs/dbraw/zinc/73/45/69/705734569.db2.gz RKJLCTZHGOFODT-SZMVWBNQSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC001032627195 705734573 /nfs/dbraw/zinc/73/45/73/705734573.db2.gz RKJLCTZHGOFODT-SZMVWBNQSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CCC[C@@H]2C)c1 ZINC001032627195 705734575 /nfs/dbraw/zinc/73/45/75/705734575.db2.gz RKJLCTZHGOFODT-SZMVWBNQSA-N 2 2 343.471 1.965 20 0 EDADLP Cc1ccc(F)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC000998830064 706260214 /nfs/dbraw/zinc/26/02/14/706260214.db2.gz WMNQVYMIYUPFJY-SJLPKXTDSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC000998830064 706260217 /nfs/dbraw/zinc/26/02/17/706260217.db2.gz WMNQVYMIYUPFJY-SJLPKXTDSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000998938411 706378072 /nfs/dbraw/zinc/37/80/72/706378072.db2.gz DORLETPJEMOFIB-QDIHITRGSA-N 2 2 340.431 1.391 20 0 EDADLP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000998938411 706378074 /nfs/dbraw/zinc/37/80/74/706378074.db2.gz DORLETPJEMOFIB-QDIHITRGSA-N 2 2 340.431 1.391 20 0 EDADLP Cc1noc(C[NH2+]C2CC(N(C)C(=O)c3occc3C[NH+](C)C)C2)n1 ZINC000999317642 706825571 /nfs/dbraw/zinc/82/55/71/706825571.db2.gz KMHSZUSXEAJZFB-UHFFFAOYSA-N 2 2 347.419 1.425 20 0 EDADLP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999318359 706826521 /nfs/dbraw/zinc/82/65/21/706826521.db2.gz RSNIIJVXANCNPF-QGZVFWFLSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999318359 706826524 /nfs/dbraw/zinc/82/65/24/706826524.db2.gz RSNIIJVXANCNPF-QGZVFWFLSA-N 2 2 327.432 1.827 20 0 EDADLP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001032712878 706837038 /nfs/dbraw/zinc/83/70/38/706837038.db2.gz NFEUEZVKNVWFNA-BPUTZDHNSA-N 2 2 343.406 1.914 20 0 EDADLP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001032712878 706837041 /nfs/dbraw/zinc/83/70/41/706837041.db2.gz NFEUEZVKNVWFNA-BPUTZDHNSA-N 2 2 343.406 1.914 20 0 EDADLP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999414924 706924364 /nfs/dbraw/zinc/92/43/64/706924364.db2.gz YQTNMAFITLUYHF-ARFHVFGLSA-N 2 2 339.443 1.997 20 0 EDADLP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999414840 706924550 /nfs/dbraw/zinc/92/45/50/706924550.db2.gz YCKJTIPGPODHLI-BPLDGKMQSA-N 2 2 328.420 1.028 20 0 EDADLP CN(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999469370 706978682 /nfs/dbraw/zinc/97/86/82/706978682.db2.gz KYYVGAFPRHWNHK-UHFFFAOYSA-N 2 2 341.459 1.797 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1)[NH+](C)C ZINC000999481137 706990155 /nfs/dbraw/zinc/99/01/55/706990155.db2.gz BJEBXIPHLUVENN-LSDHHAIUSA-N 2 2 349.479 1.758 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000999500434 706998000 /nfs/dbraw/zinc/99/80/00/706998000.db2.gz BBAAJSBVEYKZGE-ZFWWWQNUSA-N 2 2 341.415 1.036 20 0 EDADLP O=C(N1CCC[C@H]([NH2+]Cc2cnsn2)C1)C12CCC[NH+]1CCC2 ZINC000999597551 707100184 /nfs/dbraw/zinc/10/01/84/707100184.db2.gz QFSYHNAWCXJBFF-ZDUSSCGKSA-N 2 2 335.477 1.247 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946704105 707169696 /nfs/dbraw/zinc/16/96/96/707169696.db2.gz PDQLXMQKOJBQEJ-ZACQAIPSSA-N 2 2 334.464 1.479 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946704105 707169702 /nfs/dbraw/zinc/16/97/02/707169702.db2.gz PDQLXMQKOJBQEJ-ZACQAIPSSA-N 2 2 334.464 1.479 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ncccn2)C1 ZINC000999727783 707270440 /nfs/dbraw/zinc/27/04/40/707270440.db2.gz QUTHSJGZMBDPOV-LSDHHAIUSA-N 2 2 328.420 1.323 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nnc(C)s2)C1 ZINC000999712871 707309364 /nfs/dbraw/zinc/30/93/64/707309364.db2.gz IGFOQAGRKGKFEM-OCCSQVGLSA-N 2 2 348.476 1.693 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)ncn1 ZINC000999773892 707332627 /nfs/dbraw/zinc/33/26/27/707332627.db2.gz DXSXXVNBOOWRGB-OAHLLOKOSA-N 2 2 342.447 1.232 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999776889 707336602 /nfs/dbraw/zinc/33/66/02/707336602.db2.gz PSMJAZYCZTWIQW-CVEARBPZSA-N 2 2 334.464 1.360 20 0 EDADLP CCc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC000999838127 707409540 /nfs/dbraw/zinc/40/95/40/707409540.db2.gz VSZIDBCYUKPRGR-LMWSTFAQSA-N 2 2 346.435 1.477 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001033196630 707411326 /nfs/dbraw/zinc/41/13/26/707411326.db2.gz DKZOXOKQHRCWSP-AEFFLSMTSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001033196630 707411328 /nfs/dbraw/zinc/41/13/28/707411328.db2.gz DKZOXOKQHRCWSP-AEFFLSMTSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001033196630 707411331 /nfs/dbraw/zinc/41/13/31/707411331.db2.gz DKZOXOKQHRCWSP-AEFFLSMTSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001033196630 707411334 /nfs/dbraw/zinc/41/13/34/707411334.db2.gz DKZOXOKQHRCWSP-AEFFLSMTSA-N 2 2 346.475 1.607 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999871946 707515658 /nfs/dbraw/zinc/51/56/58/707515658.db2.gz NPNWIFXZDIYOJH-AWEZNQCLSA-N 2 2 335.452 1.333 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@H](C)C2)sn1 ZINC001044821739 707618420 /nfs/dbraw/zinc/61/84/20/707618420.db2.gz ZSEKMTHIQSRPKH-KGLIPLIRSA-N 2 2 347.488 1.897 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3nccs3)C2)CC[N@@H+]1C ZINC001033363156 707653268 /nfs/dbraw/zinc/65/32/68/707653268.db2.gz VMBPSDGSRWFJRX-KKUMJFAQSA-N 2 2 336.505 1.906 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3nccs3)C2)CC[N@H+]1C ZINC001033363156 707653271 /nfs/dbraw/zinc/65/32/71/707653271.db2.gz VMBPSDGSRWFJRX-KKUMJFAQSA-N 2 2 336.505 1.906 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001033363156 707653273 /nfs/dbraw/zinc/65/32/73/707653273.db2.gz VMBPSDGSRWFJRX-KKUMJFAQSA-N 2 2 336.505 1.906 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001033363156 707653276 /nfs/dbraw/zinc/65/32/76/707653276.db2.gz VMBPSDGSRWFJRX-KKUMJFAQSA-N 2 2 336.505 1.906 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033210093 707663213 /nfs/dbraw/zinc/66/32/13/707663213.db2.gz UYDJFPDTLBVFGA-DLBZAZTESA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033210093 707663214 /nfs/dbraw/zinc/66/32/14/707663214.db2.gz UYDJFPDTLBVFGA-DLBZAZTESA-N 2 2 346.475 1.405 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001032730943 707730786 /nfs/dbraw/zinc/73/07/86/707730786.db2.gz USRDUOMIAFGDPZ-SZMVWBNQSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001032730943 707730790 /nfs/dbraw/zinc/73/07/90/707730790.db2.gz USRDUOMIAFGDPZ-SZMVWBNQSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001032730943 707730794 /nfs/dbraw/zinc/73/07/94/707730794.db2.gz USRDUOMIAFGDPZ-SZMVWBNQSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001032730943 707730797 /nfs/dbraw/zinc/73/07/97/707730797.db2.gz USRDUOMIAFGDPZ-SZMVWBNQSA-N 2 2 328.460 1.517 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cncc(F)c3)C2)C1 ZINC001033418854 707804707 /nfs/dbraw/zinc/80/47/07/707804707.db2.gz DYGMUJARIIRONE-PBHICJAKSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cncc(F)c3)C2)C1 ZINC001033418854 707804708 /nfs/dbraw/zinc/80/47/08/707804708.db2.gz DYGMUJARIIRONE-PBHICJAKSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)C1 ZINC001033418854 707804710 /nfs/dbraw/zinc/80/47/10/707804710.db2.gz DYGMUJARIIRONE-PBHICJAKSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)C1 ZINC001033418854 707804712 /nfs/dbraw/zinc/80/47/12/707804712.db2.gz DYGMUJARIIRONE-PBHICJAKSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@H]([NH2+]Cc1nccs1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004980286 707822272 /nfs/dbraw/zinc/82/22/72/707822272.db2.gz YZFAWGPKHXSRJB-DZGCQCFKSA-N 2 2 347.488 1.979 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420305 707830696 /nfs/dbraw/zinc/83/06/96/707830696.db2.gz NVVAREWIWKUNCK-DOTOQJQBSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420305 707830698 /nfs/dbraw/zinc/83/06/98/707830698.db2.gz NVVAREWIWKUNCK-DOTOQJQBSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033420305 707830700 /nfs/dbraw/zinc/83/07/00/707830700.db2.gz NVVAREWIWKUNCK-DOTOQJQBSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420305 707830702 /nfs/dbraw/zinc/83/07/02/707830702.db2.gz NVVAREWIWKUNCK-DOTOQJQBSA-N 2 2 346.475 1.465 20 0 EDADLP Cc1nnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)[nH]1 ZINC001004988585 707845447 /nfs/dbraw/zinc/84/54/47/707845447.db2.gz CFWVEMGQZQEIAY-UKRRQHHQSA-N 2 2 334.468 1.068 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004991221 707852670 /nfs/dbraw/zinc/85/26/70/707852670.db2.gz JXNAOPKXIIOVGD-DZGCQCFKSA-N 2 2 335.452 1.333 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001033225890 707862411 /nfs/dbraw/zinc/86/24/11/707862411.db2.gz LWTOLHIOYDRBSW-HNNXBMFYSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001033225890 707862412 /nfs/dbraw/zinc/86/24/12/707862412.db2.gz LWTOLHIOYDRBSW-HNNXBMFYSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001061605076 707863043 /nfs/dbraw/zinc/86/30/43/707863043.db2.gz WAEGCEHXTHVSFX-HZPDHXFCSA-N 2 2 331.464 1.296 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001061605076 707863044 /nfs/dbraw/zinc/86/30/44/707863044.db2.gz WAEGCEHXTHVSFX-HZPDHXFCSA-N 2 2 331.464 1.296 20 0 EDADLP Cc1nocc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005006876 707913957 /nfs/dbraw/zinc/91/39/57/707913957.db2.gz ACSSVFQGAQAZPG-GDBMZVCRSA-N 2 2 331.420 1.739 20 0 EDADLP C[C@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005008094 707923231 /nfs/dbraw/zinc/92/32/31/707923231.db2.gz HFPZBBAJGJTXIK-HOCLYGCPSA-N 2 2 330.436 1.176 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCc1cccc(F)c1 ZINC001032814946 708151856 /nfs/dbraw/zinc/15/18/56/708151856.db2.gz RBBXTNHTFNOTNY-ROUUACIJSA-N 2 2 342.418 1.940 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCc1cccc(F)c1 ZINC001032814946 708151861 /nfs/dbraw/zinc/15/18/61/708151861.db2.gz RBBXTNHTFNOTNY-ROUUACIJSA-N 2 2 342.418 1.940 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532739 708156531 /nfs/dbraw/zinc/15/65/31/708156531.db2.gz UDQQTFYOXNRVDH-SJORKVTESA-N 2 2 345.491 1.802 20 0 EDADLP C[C@H](c1cnccn1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532739 708156533 /nfs/dbraw/zinc/15/65/33/708156533.db2.gz UDQQTFYOXNRVDH-SJORKVTESA-N 2 2 345.491 1.802 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)cc[nH+]1 ZINC001061018771 708210781 /nfs/dbraw/zinc/21/07/81/708210781.db2.gz MNPRBEYCLWFBLX-JKSUJKDBSA-N 2 2 331.464 1.920 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001061018771 708210784 /nfs/dbraw/zinc/21/07/84/708210784.db2.gz MNPRBEYCLWFBLX-JKSUJKDBSA-N 2 2 331.464 1.920 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033590385 708287000 /nfs/dbraw/zinc/28/70/00/708287000.db2.gz PNBMADMXQFNPSO-OAHLLOKOSA-N 2 2 344.463 1.196 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033590385 708287002 /nfs/dbraw/zinc/28/70/02/708287002.db2.gz PNBMADMXQFNPSO-OAHLLOKOSA-N 2 2 344.463 1.196 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033591968 708290200 /nfs/dbraw/zinc/29/02/00/708290200.db2.gz WMOWUFMISUCTRJ-KRWDZBQOSA-N 2 2 348.491 1.702 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033591968 708290202 /nfs/dbraw/zinc/29/02/02/708290202.db2.gz WMOWUFMISUCTRJ-KRWDZBQOSA-N 2 2 348.491 1.702 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033596349 708300810 /nfs/dbraw/zinc/30/08/10/708300810.db2.gz YPGYWMDZFLBWST-INIZCTEOSA-N 2 2 332.423 1.349 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033596349 708300813 /nfs/dbraw/zinc/30/08/13/708300813.db2.gz YPGYWMDZFLBWST-INIZCTEOSA-N 2 2 332.423 1.349 20 0 EDADLP CCc1noc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001001824482 708326866 /nfs/dbraw/zinc/32/68/66/708326866.db2.gz IHLXDFSFWIZJKG-DZGCQCFKSA-N 2 2 349.479 1.158 20 0 EDADLP CCc1noc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001001824482 708326868 /nfs/dbraw/zinc/32/68/68/708326868.db2.gz IHLXDFSFWIZJKG-DZGCQCFKSA-N 2 2 349.479 1.158 20 0 EDADLP COc1nscc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033662449 708477490 /nfs/dbraw/zinc/47/74/90/708477490.db2.gz PZZMJORAQRYOFY-GXTWGEPZSA-N 2 2 338.477 1.136 20 0 EDADLP COc1nscc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033662449 708477492 /nfs/dbraw/zinc/47/74/92/708477492.db2.gz PZZMJORAQRYOFY-GXTWGEPZSA-N 2 2 338.477 1.136 20 0 EDADLP COc1nscc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033662449 708477494 /nfs/dbraw/zinc/47/74/94/708477494.db2.gz PZZMJORAQRYOFY-GXTWGEPZSA-N 2 2 338.477 1.136 20 0 EDADLP COc1nscc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033662449 708477496 /nfs/dbraw/zinc/47/74/96/708477496.db2.gz PZZMJORAQRYOFY-GXTWGEPZSA-N 2 2 338.477 1.136 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)ccc1C ZINC001033704291 708533179 /nfs/dbraw/zinc/53/31/79/708533179.db2.gz SMZNINLOVKXYFW-KRWDZBQOSA-N 2 2 342.443 1.933 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)ccc1C ZINC001033704291 708533181 /nfs/dbraw/zinc/53/31/81/708533181.db2.gz SMZNINLOVKXYFW-KRWDZBQOSA-N 2 2 342.443 1.933 20 0 EDADLP COc1ccc(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001033705418 708535143 /nfs/dbraw/zinc/53/51/43/708535143.db2.gz GXTXDHGKASYNTR-QGZVFWFLSA-N 2 2 342.443 1.667 20 0 EDADLP COc1ccc(CC[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001033705418 708535144 /nfs/dbraw/zinc/53/51/44/708535144.db2.gz GXTXDHGKASYNTR-QGZVFWFLSA-N 2 2 342.443 1.667 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(OC)ccn2)C1 ZINC001033775319 708675685 /nfs/dbraw/zinc/67/56/85/708675685.db2.gz MUBHBZHUGHXFTR-AEFFLSMTSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC001033775319 708675686 /nfs/dbraw/zinc/67/56/86/708675686.db2.gz MUBHBZHUGHXFTR-AEFFLSMTSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(OC)ccn2)C1 ZINC001033775319 708675688 /nfs/dbraw/zinc/67/56/88/708675688.db2.gz MUBHBZHUGHXFTR-AEFFLSMTSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(OC)ccn2)C1 ZINC001033775319 708675690 /nfs/dbraw/zinc/67/56/90/708675690.db2.gz MUBHBZHUGHXFTR-AEFFLSMTSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001033780985 708688150 /nfs/dbraw/zinc/68/81/50/708688150.db2.gz PBNNMLDELGBSCO-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001033780985 708688152 /nfs/dbraw/zinc/68/81/52/708688152.db2.gz PBNNMLDELGBSCO-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001033780985 708688154 /nfs/dbraw/zinc/68/81/54/708688154.db2.gz PBNNMLDELGBSCO-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001033780985 708688156 /nfs/dbraw/zinc/68/81/56/708688156.db2.gz PBNNMLDELGBSCO-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001033777312 708705085 /nfs/dbraw/zinc/70/50/85/708705085.db2.gz UUVYLVBYLOVYEB-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccnc(OC)n2)C1 ZINC001033777312 708705088 /nfs/dbraw/zinc/70/50/88/708705088.db2.gz UUVYLVBYLOVYEB-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccnc(OC)n2)C1 ZINC001033777312 708705089 /nfs/dbraw/zinc/70/50/89/708705089.db2.gz UUVYLVBYLOVYEB-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccnc(OC)n2)C1 ZINC001033777312 708705092 /nfs/dbraw/zinc/70/50/92/708705092.db2.gz UUVYLVBYLOVYEB-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP Cc1nnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC001005385753 708827621 /nfs/dbraw/zinc/82/76/21/708827621.db2.gz VIZFVRUBGSDVEG-INIZCTEOSA-N 2 2 349.479 1.674 20 0 EDADLP Cc1nnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC001005385753 708827623 /nfs/dbraw/zinc/82/76/23/708827623.db2.gz VIZFVRUBGSDVEG-INIZCTEOSA-N 2 2 349.479 1.674 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2cnns2)CC1 ZINC001005400061 708886945 /nfs/dbraw/zinc/88/69/45/708886945.db2.gz YOMNXHGDQRYQRR-MRXNPFEDSA-N 2 2 349.504 1.303 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033864963 708913440 /nfs/dbraw/zinc/91/34/40/708913440.db2.gz ONASODFQYPHXEY-ARFHVFGLSA-N 2 2 342.447 1.333 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033864963 708913444 /nfs/dbraw/zinc/91/34/44/708913444.db2.gz ONASODFQYPHXEY-ARFHVFGLSA-N 2 2 342.447 1.333 20 0 EDADLP CN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C1CC[NH+](CCF)CC1 ZINC001005408242 708915970 /nfs/dbraw/zinc/91/59/70/708915970.db2.gz VRXJBXMCRMCOSW-INIZCTEOSA-N 2 2 337.443 1.682 20 0 EDADLP CN(C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C1CC[NH+](CCF)CC1 ZINC001005408242 708915971 /nfs/dbraw/zinc/91/59/71/708915971.db2.gz VRXJBXMCRMCOSW-INIZCTEOSA-N 2 2 337.443 1.682 20 0 EDADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC[NH+](CCCO)CC1 ZINC001005427483 708982654 /nfs/dbraw/zinc/98/26/54/708982654.db2.gz XDJVTSQYPAHIIF-UHFFFAOYSA-N 2 2 334.464 1.067 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033940895 709146799 /nfs/dbraw/zinc/14/67/99/709146799.db2.gz KRVVXEXGLHWLPW-GOSISDBHSA-N 2 2 347.507 1.668 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033940895 709146803 /nfs/dbraw/zinc/14/68/03/709146803.db2.gz KRVVXEXGLHWLPW-GOSISDBHSA-N 2 2 347.507 1.668 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034005202 709245888 /nfs/dbraw/zinc/24/58/88/709245888.db2.gz SESYCJXNTFZHPL-CRAIPNDOSA-N 2 2 342.443 1.790 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034005202 709245890 /nfs/dbraw/zinc/24/58/90/709245890.db2.gz SESYCJXNTFZHPL-CRAIPNDOSA-N 2 2 342.443 1.790 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001034144674 709415491 /nfs/dbraw/zinc/41/54/91/709415491.db2.gz CBNLCIAWMIAXNJ-QZTJIDSGSA-N 2 2 349.450 1.627 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001034144674 709415493 /nfs/dbraw/zinc/41/54/93/709415493.db2.gz CBNLCIAWMIAXNJ-QZTJIDSGSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001034144674 709415494 /nfs/dbraw/zinc/41/54/94/709415494.db2.gz CBNLCIAWMIAXNJ-QZTJIDSGSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001034144674 709415496 /nfs/dbraw/zinc/41/54/96/709415496.db2.gz CBNLCIAWMIAXNJ-QZTJIDSGSA-N 2 2 349.450 1.627 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001002834033 709449368 /nfs/dbraw/zinc/44/93/68/709449368.db2.gz RMZUEYLUWCHDAJ-KRWDZBQOSA-N 2 2 346.475 1.659 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ncc(C)cn3)CC2)CC[N@@H+]1C ZINC001002858296 709466455 /nfs/dbraw/zinc/46/64/55/709466455.db2.gz AZDIZFYFTGPUOH-DLBZAZTESA-N 2 2 345.491 1.596 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ncc(C)cn3)CC2)CC[N@H+]1C ZINC001002858296 709466457 /nfs/dbraw/zinc/46/64/57/709466457.db2.gz AZDIZFYFTGPUOH-DLBZAZTESA-N 2 2 345.491 1.596 20 0 EDADLP COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282682 709701513 /nfs/dbraw/zinc/70/15/13/709701513.db2.gz RDVXSSAFFRLLHX-KGLIPLIRSA-N 2 2 338.452 1.355 20 0 EDADLP COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282682 709701516 /nfs/dbraw/zinc/70/15/16/709701516.db2.gz RDVXSSAFFRLLHX-KGLIPLIRSA-N 2 2 338.452 1.355 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001003010793 709782930 /nfs/dbraw/zinc/78/29/30/709782930.db2.gz LDRKOBQTAZWFHO-GOSISDBHSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001003010793 709782931 /nfs/dbraw/zinc/78/29/31/709782931.db2.gz LDRKOBQTAZWFHO-GOSISDBHSA-N 2 2 347.507 1.764 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001034364960 709885933 /nfs/dbraw/zinc/88/59/33/709885933.db2.gz XPGWFPQWAHQJBH-YESZJQIVSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccn(C)n3)C2)CC[N@H+]1C ZINC001034364960 709885936 /nfs/dbraw/zinc/88/59/36/709885936.db2.gz XPGWFPQWAHQJBH-YESZJQIVSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001034364960 709885941 /nfs/dbraw/zinc/88/59/41/709885941.db2.gz XPGWFPQWAHQJBH-YESZJQIVSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001034364960 709885945 /nfs/dbraw/zinc/88/59/45/709885945.db2.gz XPGWFPQWAHQJBH-YESZJQIVSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034487032 710134391 /nfs/dbraw/zinc/13/43/91/710134391.db2.gz DFYUVCUMSBUDRY-JKSUJKDBSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034487032 710134394 /nfs/dbraw/zinc/13/43/94/710134394.db2.gz DFYUVCUMSBUDRY-JKSUJKDBSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccnc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034487032 710134398 /nfs/dbraw/zinc/13/43/98/710134398.db2.gz DFYUVCUMSBUDRY-JKSUJKDBSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccnc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034487032 710134400 /nfs/dbraw/zinc/13/44/00/710134400.db2.gz DFYUVCUMSBUDRY-JKSUJKDBSA-N 2 2 333.480 1.233 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230989 710152797 /nfs/dbraw/zinc/15/27/97/710152797.db2.gz SWZWRQVXVLEQIM-QGZVFWFLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003230989 710152798 /nfs/dbraw/zinc/15/27/98/710152798.db2.gz SWZWRQVXVLEQIM-QGZVFWFLSA-N 2 2 349.479 1.579 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003628192 710458109 /nfs/dbraw/zinc/45/81/09/710458109.db2.gz NVULHSRPYNNHPW-UONOGXRCSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003628192 710458112 /nfs/dbraw/zinc/45/81/12/710458112.db2.gz NVULHSRPYNNHPW-UONOGXRCSA-N 2 2 349.479 1.615 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001003652449 710469946 /nfs/dbraw/zinc/46/99/46/710469946.db2.gz NKIBGPSMQRWOIT-GVDBMIGSSA-N 2 2 346.475 1.673 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003737756 710518775 /nfs/dbraw/zinc/51/87/75/710518775.db2.gz QTDFTRZPKYHULV-QGZVFWFLSA-N 2 2 345.491 1.820 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003737756 710518776 /nfs/dbraw/zinc/51/87/76/710518776.db2.gz QTDFTRZPKYHULV-QGZVFWFLSA-N 2 2 345.491 1.820 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001003775821 710544849 /nfs/dbraw/zinc/54/48/49/710544849.db2.gz BAXWTVYXDYGXKM-ZBFHGGJFSA-N 2 2 349.504 1.636 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001003775821 710544850 /nfs/dbraw/zinc/54/48/50/710544850.db2.gz BAXWTVYXDYGXKM-ZBFHGGJFSA-N 2 2 349.504 1.636 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001034675400 710627789 /nfs/dbraw/zinc/62/77/89/710627789.db2.gz SDRUPBCTDTZPBE-KKUMJFAQSA-N 2 2 343.431 1.651 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005620513 710727629 /nfs/dbraw/zinc/72/76/29/710727629.db2.gz FHVLHZAGUSYPDG-HOTGVXAUSA-N 2 2 346.475 1.405 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001034701282 710805342 /nfs/dbraw/zinc/80/53/42/710805342.db2.gz VVSWGIANONXFIC-BRWVUGGUSA-N 2 2 341.471 1.474 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001034701282 710805345 /nfs/dbraw/zinc/80/53/45/710805345.db2.gz VVSWGIANONXFIC-BRWVUGGUSA-N 2 2 341.471 1.474 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001034744337 710959712 /nfs/dbraw/zinc/95/97/12/710959712.db2.gz RHNFBKYPSPZYON-WKILWMFISA-N 2 2 344.463 1.483 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032966951 711025727 /nfs/dbraw/zinc/02/57/27/711025727.db2.gz GWZSAGTZZYKRHF-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032966951 711025731 /nfs/dbraw/zinc/02/57/31/711025731.db2.gz GWZSAGTZZYKRHF-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032966951 711025733 /nfs/dbraw/zinc/02/57/33/711025733.db2.gz GWZSAGTZZYKRHF-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032966951 711025735 /nfs/dbraw/zinc/02/57/35/711025735.db2.gz GWZSAGTZZYKRHF-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1 ZINC001034776026 711050767 /nfs/dbraw/zinc/05/07/67/711050767.db2.gz ODJFUQNESWNPRY-SHTZXODSSA-N 2 2 345.422 1.714 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001034777900 711057240 /nfs/dbraw/zinc/05/72/40/711057240.db2.gz MIDGYDUQYSGTTQ-ZOBUZTSGSA-N 2 2 334.464 1.549 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c(C)n1 ZINC001032977103 711092163 /nfs/dbraw/zinc/09/21/63/711092163.db2.gz RYMZICVECXKORO-QZTJIDSGSA-N 2 2 346.475 1.062 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c(C)n1 ZINC001032977103 711092169 /nfs/dbraw/zinc/09/21/69/711092169.db2.gz RYMZICVECXKORO-QZTJIDSGSA-N 2 2 346.475 1.062 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c(C)n1 ZINC001032977103 711092174 /nfs/dbraw/zinc/09/21/74/711092174.db2.gz RYMZICVECXKORO-QZTJIDSGSA-N 2 2 346.475 1.062 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(C)n1 ZINC001032977103 711092177 /nfs/dbraw/zinc/09/21/77/711092177.db2.gz RYMZICVECXKORO-QZTJIDSGSA-N 2 2 346.475 1.062 20 0 EDADLP CCc1nc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc(C)[nH+]1 ZINC001061364209 711141267 /nfs/dbraw/zinc/14/12/67/711141267.db2.gz FBYARIQULGUATC-LSDHHAIUSA-N 2 2 331.464 1.384 20 0 EDADLP CCc1nc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC001061364209 711141268 /nfs/dbraw/zinc/14/12/68/711141268.db2.gz FBYARIQULGUATC-LSDHHAIUSA-N 2 2 331.464 1.384 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001034881086 711281254 /nfs/dbraw/zinc/28/12/54/711281254.db2.gz DKGKEEBMFWYLQA-KGLIPLIRSA-N 2 2 335.452 1.368 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001034881086 711281258 /nfs/dbraw/zinc/28/12/58/711281258.db2.gz DKGKEEBMFWYLQA-KGLIPLIRSA-N 2 2 335.452 1.368 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001004052319 711340369 /nfs/dbraw/zinc/34/03/69/711340369.db2.gz GTNXFMTVGUJMQO-INIZCTEOSA-N 2 2 334.464 1.800 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(F)c2)C1 ZINC001034890899 711346636 /nfs/dbraw/zinc/34/66/36/711346636.db2.gz ITZMOOXWUWGYHO-SJORKVTESA-N 2 2 335.423 1.237 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(F)c2)C1 ZINC001034890899 711346639 /nfs/dbraw/zinc/34/66/39/711346639.db2.gz ITZMOOXWUWGYHO-SJORKVTESA-N 2 2 335.423 1.237 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001034956092 711425169 /nfs/dbraw/zinc/42/51/69/711425169.db2.gz NCAJQCNCDUYROY-MRXNPFEDSA-N 2 2 328.420 1.222 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001034956092 711425171 /nfs/dbraw/zinc/42/51/71/711425171.db2.gz NCAJQCNCDUYROY-MRXNPFEDSA-N 2 2 328.420 1.222 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)c1csnn1 ZINC001034957820 711430383 /nfs/dbraw/zinc/43/03/83/711430383.db2.gz KKYVFWMYCKZHJT-GXTWGEPZSA-N 2 2 337.493 1.664 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)c1csnn1 ZINC001034957820 711430384 /nfs/dbraw/zinc/43/03/84/711430384.db2.gz KKYVFWMYCKZHJT-GXTWGEPZSA-N 2 2 337.493 1.664 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001034972232 711452487 /nfs/dbraw/zinc/45/24/87/711452487.db2.gz DCOJDDXNFBZDGQ-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001034972232 711452491 /nfs/dbraw/zinc/45/24/91/711452491.db2.gz DCOJDDXNFBZDGQ-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC001004147552 711559291 /nfs/dbraw/zinc/55/92/91/711559291.db2.gz KKKJCBQETRTANL-UHFFFAOYSA-N 2 2 336.867 1.911 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577473 712004373 /nfs/dbraw/zinc/00/43/73/712004373.db2.gz GDUQPKQXMLGQQC-QAPCUYQASA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577473 712004375 /nfs/dbraw/zinc/00/43/75/712004375.db2.gz GDUQPKQXMLGQQC-QAPCUYQASA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577473 712004377 /nfs/dbraw/zinc/00/43/77/712004377.db2.gz GDUQPKQXMLGQQC-QAPCUYQASA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577473 712004379 /nfs/dbraw/zinc/00/43/79/712004379.db2.gz GDUQPKQXMLGQQC-QAPCUYQASA-N 2 2 348.491 1.938 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033152612 712157409 /nfs/dbraw/zinc/15/74/09/712157409.db2.gz PYOZKSRAKDWALD-JKSUJKDBSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033152612 712157411 /nfs/dbraw/zinc/15/74/11/712157411.db2.gz PYOZKSRAKDWALD-JKSUJKDBSA-N 2 2 343.431 1.790 20 0 EDADLP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000303045003 539355247 /nfs/dbraw/zinc/35/52/47/539355247.db2.gz HVAMTWHYNWTDSK-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000153763444 539356737 /nfs/dbraw/zinc/35/67/37/539356737.db2.gz HFSXGYPJJKKTET-DJIMGWMZSA-N 2 2 331.464 1.960 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000153763444 539356743 /nfs/dbraw/zinc/35/67/43/539356743.db2.gz HFSXGYPJJKKTET-DJIMGWMZSA-N 2 2 331.464 1.960 20 0 EDADLP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000078505120 539368810 /nfs/dbraw/zinc/36/88/10/539368810.db2.gz RULIHBACBGWZRM-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000078505120 539368817 /nfs/dbraw/zinc/36/88/17/539368817.db2.gz RULIHBACBGWZRM-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC000181459732 529893446 /nfs/dbraw/zinc/89/34/46/529893446.db2.gz NNITYLFZESIMMO-UHFFFAOYSA-N 2 2 334.460 1.899 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC000181459732 529893447 /nfs/dbraw/zinc/89/34/47/529893447.db2.gz NNITYLFZESIMMO-UHFFFAOYSA-N 2 2 334.460 1.899 20 0 EDADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000124179084 295723405 /nfs/dbraw/zinc/72/34/05/295723405.db2.gz IOBHJTDPWOYENZ-ZWKOTPCHSA-N 2 2 337.508 1.964 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000561146902 306282698 /nfs/dbraw/zinc/28/26/98/306282698.db2.gz JGROTZGKWBAHHL-CYBMUJFWSA-N 2 2 330.354 1.490 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000561146902 306282699 /nfs/dbraw/zinc/28/26/99/306282699.db2.gz JGROTZGKWBAHHL-CYBMUJFWSA-N 2 2 330.354 1.490 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000180999017 234056620 /nfs/dbraw/zinc/05/66/20/234056620.db2.gz KSAUNFKXKOBACU-MAUKXSAKSA-N 3 2 332.492 1.550 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000180999017 234056625 /nfs/dbraw/zinc/05/66/25/234056625.db2.gz KSAUNFKXKOBACU-MAUKXSAKSA-N 3 2 332.492 1.550 20 0 EDADLP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000563089520 306318529 /nfs/dbraw/zinc/31/85/29/306318529.db2.gz JAIMTRCIKRFKER-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000563089520 306318530 /nfs/dbraw/zinc/31/85/30/306318530.db2.gz JAIMTRCIKRFKER-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000072857956 138211476 /nfs/dbraw/zinc/21/14/76/138211476.db2.gz YCJFQRXOKULUJO-RCCFBDPRSA-N 2 2 339.524 1.972 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000072857956 138211478 /nfs/dbraw/zinc/21/14/78/138211478.db2.gz YCJFQRXOKULUJO-RCCFBDPRSA-N 2 2 339.524 1.972 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000072857956 138211481 /nfs/dbraw/zinc/21/14/81/138211481.db2.gz YCJFQRXOKULUJO-RCCFBDPRSA-N 2 2 339.524 1.972 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000072857956 138211483 /nfs/dbraw/zinc/21/14/83/138211483.db2.gz YCJFQRXOKULUJO-RCCFBDPRSA-N 2 2 339.524 1.972 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346247915 295933009 /nfs/dbraw/zinc/93/30/09/295933009.db2.gz YKFBGAYXVRPYBG-OAGGEKHMSA-N 2 2 325.497 1.580 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090553745 138279634 /nfs/dbraw/zinc/27/96/34/138279634.db2.gz SWZWHLTYHRCWHH-DJIMGWMZSA-N 2 2 349.479 1.380 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090553745 138279635 /nfs/dbraw/zinc/27/96/35/138279635.db2.gz SWZWHLTYHRCWHH-DJIMGWMZSA-N 2 2 349.479 1.380 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000093188170 138292442 /nfs/dbraw/zinc/29/24/42/138292442.db2.gz SBQLSKBLDWOIKP-IBGZPJMESA-N 2 2 345.487 1.484 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000093188170 138292443 /nfs/dbraw/zinc/29/24/43/138292443.db2.gz SBQLSKBLDWOIKP-IBGZPJMESA-N 2 2 345.487 1.484 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093982374 138295255 /nfs/dbraw/zinc/29/52/55/138295255.db2.gz OAOMZTWGEKRHLO-CQSZACIVSA-N 2 2 330.245 1.924 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093982374 138295256 /nfs/dbraw/zinc/29/52/56/138295256.db2.gz OAOMZTWGEKRHLO-CQSZACIVSA-N 2 2 330.245 1.924 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000123669100 138320443 /nfs/dbraw/zinc/32/04/43/138320443.db2.gz MWIUBACGGMWYFP-GOSISDBHSA-N 2 2 346.475 1.282 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NCC1=CC[NH2+]CC1 ZINC000563595371 306340960 /nfs/dbraw/zinc/34/09/60/306340960.db2.gz CUPCKWVRVYTFLZ-UHFFFAOYSA-N 2 2 348.878 1.917 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NCC1=CC[NH2+]CC1 ZINC000563595371 306340961 /nfs/dbraw/zinc/34/09/61/306340961.db2.gz CUPCKWVRVYTFLZ-UHFFFAOYSA-N 2 2 348.878 1.917 20 0 EDADLP Oc1cccc2c1CC[C@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000130561965 138342266 /nfs/dbraw/zinc/34/22/66/138342266.db2.gz GFQHUSNORBHDDE-LJQANCHMSA-N 2 2 345.487 1.766 20 0 EDADLP Oc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000130561965 138342267 /nfs/dbraw/zinc/34/22/67/138342267.db2.gz GFQHUSNORBHDDE-LJQANCHMSA-N 2 2 345.487 1.766 20 0 EDADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1OC(C)C ZINC000563608822 306341620 /nfs/dbraw/zinc/34/16/20/306341620.db2.gz ZFNNYRIBUKQAKA-AWEZNQCLSA-N 2 2 336.436 1.589 20 0 EDADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1OC(C)C ZINC000563608822 306341621 /nfs/dbraw/zinc/34/16/21/306341621.db2.gz ZFNNYRIBUKQAKA-AWEZNQCLSA-N 2 2 336.436 1.589 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000131339129 138357612 /nfs/dbraw/zinc/35/76/12/138357612.db2.gz RDKGJGVLSSVSHH-KRWDZBQOSA-N 2 2 337.414 1.921 20 0 EDADLP Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000129132583 223025369 /nfs/dbraw/zinc/02/53/69/223025369.db2.gz IMPGDUVSIIRIDE-HNNXBMFYSA-N 2 2 333.407 1.812 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000649546849 452138440 /nfs/dbraw/zinc/13/84/40/452138440.db2.gz BVNMPDBNOWZQHC-RISCZKNCSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000649546849 452138446 /nfs/dbraw/zinc/13/84/46/452138446.db2.gz BVNMPDBNOWZQHC-RISCZKNCSA-N 2 2 345.896 1.902 20 0 EDADLP CCc1cc(N2CCC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)ncn1 ZINC000564074229 306354844 /nfs/dbraw/zinc/35/48/44/306354844.db2.gz GUBHSSFCNVFJJG-YQVWRLOYSA-N 2 2 345.491 1.364 20 0 EDADLP CCn1cc[nH+]c1CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000564329477 306358791 /nfs/dbraw/zinc/35/87/91/306358791.db2.gz UOPKULRYDAHIKC-IAGOWNOFSA-N 3 2 331.508 1.847 20 0 EDADLP [NH3+]CCC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000564803222 306365632 /nfs/dbraw/zinc/36/56/32/306365632.db2.gz PSKLGDQSBPLPHK-UHFFFAOYSA-N 3 2 344.503 1.392 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)COC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000564796501 306365218 /nfs/dbraw/zinc/36/52/18/306365218.db2.gz MHNABSSSVZQWEB-KRWDZBQOSA-N 2 2 346.406 1.533 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000564799387 306365374 /nfs/dbraw/zinc/36/53/74/306365374.db2.gz WVSXGNWPBJXFOT-CVEARBPZSA-N 2 2 341.455 1.668 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)CCC[N@@H+]1Cc1ccccc1 ZINC000414200787 304105813 /nfs/dbraw/zinc/10/58/13/304105813.db2.gz XRKKNPBUQQTWGQ-NXHRZFHOSA-N 2 2 329.448 1.282 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)CCC[N@H+]1Cc1ccccc1 ZINC000414200787 304105815 /nfs/dbraw/zinc/10/58/15/304105815.db2.gz XRKKNPBUQQTWGQ-NXHRZFHOSA-N 2 2 329.448 1.282 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000073104596 216350667 /nfs/dbraw/zinc/35/06/67/216350667.db2.gz LWWQGDWTXNOOEB-UHFFFAOYSA-N 2 2 347.488 1.959 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)n1cc[nH+]c1 ZINC000565955109 306395744 /nfs/dbraw/zinc/39/57/44/306395744.db2.gz WKJPOBFIDMCLAN-HNNXBMFYSA-N 2 2 328.416 1.884 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000566063993 306397429 /nfs/dbraw/zinc/39/74/29/306397429.db2.gz UNGGWPCZDSGNKL-ZBFHGGJFSA-N 2 2 342.867 1.638 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)CC(F)(F)C[NH3+])CCCC2)no1 ZINC000566406164 306411656 /nfs/dbraw/zinc/41/16/56/306411656.db2.gz CANMRXJZDDHSTI-UHFFFAOYSA-N 2 2 331.367 1.001 20 0 EDADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415092256 304158869 /nfs/dbraw/zinc/15/88/69/304158869.db2.gz FUPRKOJURTWRSN-GXTWGEPZSA-N 2 2 325.840 1.944 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415102903 304160210 /nfs/dbraw/zinc/16/02/10/304160210.db2.gz DZHRZDYEVMXXGO-HNNXBMFYSA-N 2 2 338.452 1.001 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415102903 304160211 /nfs/dbraw/zinc/16/02/11/304160211.db2.gz DZHRZDYEVMXXGO-HNNXBMFYSA-N 2 2 338.452 1.001 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000194983371 139003688 /nfs/dbraw/zinc/00/36/88/139003688.db2.gz LLVJNLUWORYWFF-WBVHZDCISA-N 2 2 328.464 1.510 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000195245311 139011247 /nfs/dbraw/zinc/01/12/47/139011247.db2.gz KVJLAVUTMSFAFY-UTUOFQBUSA-N 2 2 344.337 1.456 20 0 EDADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(CC(F)(F)F)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000195245311 139011248 /nfs/dbraw/zinc/01/12/48/139011248.db2.gz KVJLAVUTMSFAFY-UTUOFQBUSA-N 2 2 344.337 1.456 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415153935 304166365 /nfs/dbraw/zinc/16/63/65/304166365.db2.gz JNVOFIAWTXXKPW-AWEZNQCLSA-N 2 2 331.420 1.939 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000332154720 284300386 /nfs/dbraw/zinc/30/03/86/284300386.db2.gz WSUNXBXLKLFFBI-KRWDZBQOSA-N 2 2 348.443 1.060 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)C[NH2+]C[C@@H]3CCCO3)c2)CC1 ZINC000237219428 139044716 /nfs/dbraw/zinc/04/47/16/139044716.db2.gz ZBWJHFDXICUHFM-SFHVURJKSA-N 2 2 346.475 1.141 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000079471062 217229260 /nfs/dbraw/zinc/22/92/60/217229260.db2.gz YEXWJBKVLFBYPJ-QGZVFWFLSA-N 2 2 343.475 1.393 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000079471062 217229264 /nfs/dbraw/zinc/22/92/64/217229264.db2.gz YEXWJBKVLFBYPJ-QGZVFWFLSA-N 2 2 343.475 1.393 20 0 EDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000237394839 139049982 /nfs/dbraw/zinc/04/99/82/139049982.db2.gz PSKUARWHMUAMPE-MRXNPFEDSA-N 2 2 338.496 1.051 20 0 EDADLP C[C@H](C(=O)N[C@](C)(C[NH3+])C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237443698 139051474 /nfs/dbraw/zinc/05/14/74/139051474.db2.gz JDTURTNGAZLKRK-AUUYWEPGSA-N 2 2 348.466 1.580 20 0 EDADLP C[C@@]1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000237599479 139055306 /nfs/dbraw/zinc/05/53/06/139055306.db2.gz WVMLBLYMYWNTQL-LJQANCHMSA-N 2 2 347.459 1.013 20 0 EDADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081310389 217380732 /nfs/dbraw/zinc/38/07/32/217380732.db2.gz ZYWAPXLBZYFBHJ-QGZVFWFLSA-N 2 2 349.500 1.813 20 0 EDADLP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081310389 217380733 /nfs/dbraw/zinc/38/07/33/217380733.db2.gz ZYWAPXLBZYFBHJ-QGZVFWFLSA-N 2 2 349.500 1.813 20 0 EDADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238091520 139068759 /nfs/dbraw/zinc/06/87/59/139068759.db2.gz RRXXSLHOPMNQGZ-UHFFFAOYSA-N 2 2 337.387 1.845 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245589741 139080319 /nfs/dbraw/zinc/08/03/19/139080319.db2.gz KVTQMUWMQCAISS-QXAKKESOSA-N 2 2 347.503 1.858 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245589741 139080320 /nfs/dbraw/zinc/08/03/20/139080320.db2.gz KVTQMUWMQCAISS-QXAKKESOSA-N 2 2 347.503 1.858 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245899732 139089109 /nfs/dbraw/zinc/08/91/09/139089109.db2.gz RSQIKPJLPJWZBM-TWMKSMIVSA-N 2 2 338.496 1.364 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245899732 139089110 /nfs/dbraw/zinc/08/91/10/139089110.db2.gz RSQIKPJLPJWZBM-TWMKSMIVSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246122216 139095761 /nfs/dbraw/zinc/09/57/61/139095761.db2.gz HHMBKMINPXZESM-KBPBESRZSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246122216 139095762 /nfs/dbraw/zinc/09/57/62/139095762.db2.gz HHMBKMINPXZESM-KBPBESRZSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246122216 139095763 /nfs/dbraw/zinc/09/57/63/139095763.db2.gz HHMBKMINPXZESM-KBPBESRZSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246122216 139095764 /nfs/dbraw/zinc/09/57/64/139095764.db2.gz HHMBKMINPXZESM-KBPBESRZSA-N 2 2 332.448 1.386 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000246595642 139114284 /nfs/dbraw/zinc/11/42/84/139114284.db2.gz CWJVKHGSWFDUBQ-GOEBONIOSA-N 2 2 330.432 1.751 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000246595642 139114285 /nfs/dbraw/zinc/11/42/85/139114285.db2.gz CWJVKHGSWFDUBQ-GOEBONIOSA-N 2 2 330.432 1.751 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000246595642 139114286 /nfs/dbraw/zinc/11/42/86/139114286.db2.gz CWJVKHGSWFDUBQ-GOEBONIOSA-N 2 2 330.432 1.751 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000246595642 139114287 /nfs/dbraw/zinc/11/42/87/139114287.db2.gz CWJVKHGSWFDUBQ-GOEBONIOSA-N 2 2 330.432 1.751 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000265995736 248008940 /nfs/dbraw/zinc/00/89/40/248008940.db2.gz HPWVOTVHYXOSEQ-MSOLQXFVSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000265995736 248008942 /nfs/dbraw/zinc/00/89/42/248008942.db2.gz HPWVOTVHYXOSEQ-MSOLQXFVSA-N 2 2 334.460 1.389 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000248370658 139160974 /nfs/dbraw/zinc/16/09/74/139160974.db2.gz XTRCDUWDFKFUAE-VQIMIIECSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000248370658 139160975 /nfs/dbraw/zinc/16/09/75/139160975.db2.gz XTRCDUWDFKFUAE-VQIMIIECSA-N 2 2 345.487 1.906 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000261611619 139210860 /nfs/dbraw/zinc/21/08/60/139210860.db2.gz BEEFPKZRKQPWHG-CMPLNLGQSA-N 2 2 341.839 1.382 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000261611619 139210861 /nfs/dbraw/zinc/21/08/61/139210861.db2.gz BEEFPKZRKQPWHG-CMPLNLGQSA-N 2 2 341.839 1.382 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261713145 139219790 /nfs/dbraw/zinc/21/97/90/139219790.db2.gz PXQWWQFPDGJXIS-FUHWJXTLSA-N 2 2 330.476 1.186 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261809370 139227913 /nfs/dbraw/zinc/22/79/13/139227913.db2.gz NHRJUVBCZMPINJ-UHFFFAOYSA-N 2 2 343.471 1.735 20 0 EDADLP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000261888011 139234243 /nfs/dbraw/zinc/23/42/43/139234243.db2.gz GCNNNDOHZDIODJ-BBWFWOEESA-N 2 2 338.473 1.207 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940236 139238841 /nfs/dbraw/zinc/23/88/41/139238841.db2.gz LCTRDKDFWVBYQZ-DZGCQCFKSA-N 2 2 325.478 1.496 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940236 139238842 /nfs/dbraw/zinc/23/88/42/139238842.db2.gz LCTRDKDFWVBYQZ-DZGCQCFKSA-N 2 2 325.478 1.496 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)O1 ZINC000261975821 139241225 /nfs/dbraw/zinc/24/12/25/139241225.db2.gz LSZLKHDIXAIHME-CVEARBPZSA-N 2 2 328.416 1.096 20 0 EDADLP C[C@]1(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC[NH2+]C1 ZINC000262022154 139244598 /nfs/dbraw/zinc/24/45/98/139244598.db2.gz NGDVKCIOFYNWJI-IBGZPJMESA-N 2 2 326.444 1.925 20 0 EDADLP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000262066551 139247986 /nfs/dbraw/zinc/24/79/86/139247986.db2.gz BGAMSNYCTDWRMB-CQSZACIVSA-N 2 2 337.851 1.745 20 0 EDADLP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000262066551 139247987 /nfs/dbraw/zinc/24/79/87/139247987.db2.gz BGAMSNYCTDWRMB-CQSZACIVSA-N 2 2 337.851 1.745 20 0 EDADLP CN(C)c1cc(NC(=O)NC[C@@H]2CCC[NH2+]2)[nH+]cc1Br ZINC000415782242 251026831 /nfs/dbraw/zinc/02/68/31/251026831.db2.gz BBXYEICXJWFBRN-VIFPVBQESA-N 2 2 342.241 1.784 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)ccc2[nH+]1 ZINC000415846214 251033179 /nfs/dbraw/zinc/03/31/79/251033179.db2.gz YMEABDRDTKUTIL-PIGZYNQJSA-N 2 2 329.404 1.025 20 0 EDADLP [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000416013769 251046299 /nfs/dbraw/zinc/04/62/99/251046299.db2.gz UPKMSFHLDFHEKT-QWRGUYRKSA-N 2 2 331.342 1.239 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416989882 251119742 /nfs/dbraw/zinc/11/97/42/251119742.db2.gz JBFJKJHQVCQBTN-YOEHRIQHSA-N 2 2 327.432 1.871 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@H]2C)[NH+]2CCOCC2)c1 ZINC000416997019 251122842 /nfs/dbraw/zinc/12/28/42/251122842.db2.gz NXDGVYDCKIILAW-NXHRZFHOSA-N 2 2 346.475 1.499 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[NH2+]1 ZINC000416998325 251125533 /nfs/dbraw/zinc/12/55/33/251125533.db2.gz RYVSGKWTDAOETI-YOEHRIQHSA-N 2 2 327.432 1.871 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C[NH+]1CCCCC1 ZINC000417174903 251145020 /nfs/dbraw/zinc/14/50/20/251145020.db2.gz HSXMESBWLGSQJG-KBPBESRZSA-N 2 2 332.439 1.652 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C[NH+]1CCCCC1 ZINC000417174904 251145315 /nfs/dbraw/zinc/14/53/15/251145315.db2.gz HSXMESBWLGSQJG-KGLIPLIRSA-N 2 2 332.439 1.652 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000417410390 251164948 /nfs/dbraw/zinc/16/49/48/251164948.db2.gz BLAVATUSSKHSCH-KRWDZBQOSA-N 2 2 348.491 1.877 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000417410390 251164952 /nfs/dbraw/zinc/16/49/52/251164952.db2.gz BLAVATUSSKHSCH-KRWDZBQOSA-N 2 2 348.491 1.877 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417654857 251214154 /nfs/dbraw/zinc/21/41/54/251214154.db2.gz DEEZBKIOSBDDPD-KBPBESRZSA-N 2 2 328.407 1.850 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000417657752 251215160 /nfs/dbraw/zinc/21/51/60/251215160.db2.gz IEYCVVSVCXWNDG-CQSZACIVSA-N 2 2 326.391 1.619 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417813370 251281523 /nfs/dbraw/zinc/28/15/23/251281523.db2.gz GJUORCXIQJBUOL-MGPQQGTHSA-N 2 2 340.493 1.417 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417813370 251281529 /nfs/dbraw/zinc/28/15/29/251281529.db2.gz GJUORCXIQJBUOL-MGPQQGTHSA-N 2 2 340.493 1.417 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000417856841 251300092 /nfs/dbraw/zinc/30/00/92/251300092.db2.gz WOLSYFXAASGOCL-MRXNPFEDSA-N 2 2 327.432 1.759 20 0 EDADLP O=C(NC1CC[NH2+]CC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000418305974 251357660 /nfs/dbraw/zinc/35/76/60/251357660.db2.gz IZJYZOWOVUVWLS-UHFFFAOYSA-N 2 2 336.867 1.919 20 0 EDADLP CN(C[C@H](O)C[NH3+])C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415592148 304234532 /nfs/dbraw/zinc/23/45/32/304234532.db2.gz DPKNZKITLOWBJD-MRXNPFEDSA-N 2 2 343.431 1.670 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000153001064 224043016 /nfs/dbraw/zinc/04/30/16/224043016.db2.gz PTWHQMNYBVIQPQ-INIZCTEOSA-N 2 2 343.475 1.930 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000422876292 252008268 /nfs/dbraw/zinc/00/82/68/252008268.db2.gz GAFMAIJYBZJZMZ-QAPCUYQASA-N 3 2 330.476 1.162 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000422876292 252008273 /nfs/dbraw/zinc/00/82/73/252008273.db2.gz GAFMAIJYBZJZMZ-QAPCUYQASA-N 2 2 330.476 1.162 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422893085 252014030 /nfs/dbraw/zinc/01/40/30/252014030.db2.gz OQTOKFWOWUHTMQ-QYZOEREBSA-N 2 2 334.460 1.867 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCC[NH2+]1 ZINC000422897981 252014902 /nfs/dbraw/zinc/01/49/02/252014902.db2.gz DDQHOPLTPBELRR-UNEWFSDZSA-N 2 2 347.459 1.431 20 0 EDADLP COc1cc(CN2CC[C@H]([NH2+][C@@H]3C[NH2+]CC[C@@H]3C)C2)cc(OC)c1 ZINC000422860349 252002035 /nfs/dbraw/zinc/00/20/35/252002035.db2.gz IDBQAUYTYWJWPZ-URLQWDBASA-N 2 2 333.476 1.866 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000423008022 252025408 /nfs/dbraw/zinc/02/54/08/252025408.db2.gz ZCQBACHSQXVZQH-UPJWGTAASA-N 2 2 332.491 1.003 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)CC2)cc[nH+]1 ZINC000423782996 252071864 /nfs/dbraw/zinc/07/18/64/252071864.db2.gz MYIXFLLENVWSBD-INIZCTEOSA-N 2 2 331.464 1.731 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423507775 252056626 /nfs/dbraw/zinc/05/66/26/252056626.db2.gz KGFSZJHFKHSIJT-DVOMOZLQSA-N 2 2 325.478 1.572 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423507775 252056629 /nfs/dbraw/zinc/05/66/29/252056629.db2.gz KGFSZJHFKHSIJT-DVOMOZLQSA-N 2 2 325.478 1.572 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423524418 252060007 /nfs/dbraw/zinc/06/00/07/252060007.db2.gz OOLKERXFKRERIC-IUODEOHRSA-N 2 2 327.450 1.087 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000423644553 252063246 /nfs/dbraw/zinc/06/32/46/252063246.db2.gz ZTQMZUTZHOUQNI-VCBZYWHSSA-N 2 2 326.444 1.977 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@H](C[NH3+])OC)[C@@H](C)C1 ZINC000423864219 252095735 /nfs/dbraw/zinc/09/57/35/252095735.db2.gz YKYHHPLVRUIYDX-DOTOQJQBSA-N 2 2 349.475 1.482 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@H](C[NH3+])OC)[C@@H](C)C1 ZINC000423864219 252095738 /nfs/dbraw/zinc/09/57/38/252095738.db2.gz YKYHHPLVRUIYDX-DOTOQJQBSA-N 2 2 349.475 1.482 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)[nH+]c12 ZINC000424139669 252139352 /nfs/dbraw/zinc/13/93/52/252139352.db2.gz FBHKWUWGKZIYCS-CQSZACIVSA-N 2 2 339.403 1.089 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415604944 304237330 /nfs/dbraw/zinc/23/73/30/304237330.db2.gz CBTSTLKWNKBDFX-WFASDCNBSA-N 2 2 341.415 1.140 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000424299503 252191143 /nfs/dbraw/zinc/19/11/43/252191143.db2.gz FAZHZGOUCBVKDG-KBUPBQIOSA-N 2 2 333.432 1.191 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000424332635 252197652 /nfs/dbraw/zinc/19/76/52/252197652.db2.gz LAOSFPOGMKVFGZ-IAOVAPTHSA-N 2 2 344.459 2.000 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262952245 139314840 /nfs/dbraw/zinc/31/48/40/139314840.db2.gz JVKDWAFOZJRLOI-LBPRGKRZSA-N 2 2 333.448 1.461 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365403510 296335669 /nfs/dbraw/zinc/33/56/69/296335669.db2.gz NICJEBJIBPFWIV-OAGGEKHMSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365403510 296335670 /nfs/dbraw/zinc/33/56/70/296335670.db2.gz NICJEBJIBPFWIV-OAGGEKHMSA-N 2 2 338.496 1.807 20 0 EDADLP Cc1cccnc1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000263278006 139332688 /nfs/dbraw/zinc/33/26/88/139332688.db2.gz RBMGWWRQKUZLAA-SFHVURJKSA-N 2 2 349.438 1.821 20 0 EDADLP C[N@@H+]1CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000263802288 139361358 /nfs/dbraw/zinc/36/13/58/139361358.db2.gz UTBTXIJCVDQBNR-UHFFFAOYSA-N 2 2 346.475 1.095 20 0 EDADLP C[N@H+]1CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000263802288 139361359 /nfs/dbraw/zinc/36/13/59/139361359.db2.gz UTBTXIJCVDQBNR-UHFFFAOYSA-N 2 2 346.475 1.095 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NCC[N@H+](C)CCOC)c[nH+]1 ZINC000263802535 139361434 /nfs/dbraw/zinc/36/14/34/139361434.db2.gz UAFXGHCSETZPLH-UHFFFAOYSA-N 2 2 337.468 1.305 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NCC[N@@H+](C)CCOC)c[nH+]1 ZINC000263802535 139361435 /nfs/dbraw/zinc/36/14/35/139361435.db2.gz UAFXGHCSETZPLH-UHFFFAOYSA-N 2 2 337.468 1.305 20 0 EDADLP COCCSCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000487871998 255038328 /nfs/dbraw/zinc/03/83/28/255038328.db2.gz NTJQITSAGFOODQ-UHFFFAOYSA-N 2 2 325.478 1.982 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cn1 ZINC000171929893 227369810 /nfs/dbraw/zinc/36/98/10/227369810.db2.gz UTXAHPAMHFWUCT-UHFFFAOYSA-N 2 2 338.415 1.416 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cn1 ZINC000171929893 227369813 /nfs/dbraw/zinc/36/98/13/227369813.db2.gz UTXAHPAMHFWUCT-UHFFFAOYSA-N 2 2 338.415 1.416 20 0 EDADLP C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000488734577 255051706 /nfs/dbraw/zinc/05/17/06/255051706.db2.gz QWHNRIULCVSLEA-CABCVRRESA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000488734577 255051707 /nfs/dbraw/zinc/05/17/07/255051707.db2.gz QWHNRIULCVSLEA-CABCVRRESA-N 2 2 337.489 1.095 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490768494 255106009 /nfs/dbraw/zinc/10/60/09/255106009.db2.gz JKVXAGWXZLDWFJ-KRWDZBQOSA-N 2 2 329.448 1.527 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490768494 255106010 /nfs/dbraw/zinc/10/60/10/255106010.db2.gz JKVXAGWXZLDWFJ-KRWDZBQOSA-N 2 2 329.448 1.527 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000493468762 255210205 /nfs/dbraw/zinc/21/02/05/255210205.db2.gz RKELEUUDLOCRBY-DKFQHHCZSA-N 2 2 326.400 1.176 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000493468762 255210206 /nfs/dbraw/zinc/21/02/06/255210206.db2.gz RKELEUUDLOCRBY-DKFQHHCZSA-N 2 2 326.400 1.176 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000493553101 255215334 /nfs/dbraw/zinc/21/53/34/255215334.db2.gz KPFHPBFLFHSBPP-ORYMXUJHSA-N 2 2 338.411 1.475 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)CCO1 ZINC000494688400 255258154 /nfs/dbraw/zinc/25/81/54/255258154.db2.gz HWZMWKPNMMWWPS-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)CCO1 ZINC000494688400 255258155 /nfs/dbraw/zinc/25/81/55/255258155.db2.gz HWZMWKPNMMWWPS-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000494688400 255258156 /nfs/dbraw/zinc/25/81/56/255258156.db2.gz HWZMWKPNMMWWPS-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CCO1 ZINC000494688400 255258157 /nfs/dbraw/zinc/25/81/57/255258157.db2.gz HWZMWKPNMMWWPS-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496174389 255361023 /nfs/dbraw/zinc/36/10/23/255361023.db2.gz WRQGRJJAOIEZIC-KFWWJZLASA-N 2 2 329.485 1.677 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496174389 255361024 /nfs/dbraw/zinc/36/10/24/255361024.db2.gz WRQGRJJAOIEZIC-KFWWJZLASA-N 2 2 329.485 1.677 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496174389 255361025 /nfs/dbraw/zinc/36/10/25/255361025.db2.gz WRQGRJJAOIEZIC-KFWWJZLASA-N 2 2 329.485 1.677 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496174389 255361026 /nfs/dbraw/zinc/36/10/26/255361026.db2.gz WRQGRJJAOIEZIC-KFWWJZLASA-N 2 2 329.485 1.677 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263890177 139367798 /nfs/dbraw/zinc/36/77/98/139367798.db2.gz XFARLNIVUXUJCE-CQSZACIVSA-N 2 2 339.509 1.701 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263890177 139367799 /nfs/dbraw/zinc/36/77/99/139367799.db2.gz XFARLNIVUXUJCE-CQSZACIVSA-N 2 2 339.509 1.701 20 0 EDADLP O=C1[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000352520070 296429996 /nfs/dbraw/zinc/42/99/96/296429996.db2.gz UXRVPMSRCANNSQ-QZTJIDSGSA-N 2 2 328.460 1.162 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117802185 221090347 /nfs/dbraw/zinc/09/03/47/221090347.db2.gz NCVXJIGGOBGLMI-OAHLLOKOSA-N 2 2 328.416 1.713 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3nc(C)cs3)C2)CC1 ZINC000118835179 221191404 /nfs/dbraw/zinc/19/14/04/221191404.db2.gz SEBZZJDSTRPTHT-AWEZNQCLSA-N 2 2 337.493 1.102 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3nc(C)cs3)C2)CC1 ZINC000118835179 221191405 /nfs/dbraw/zinc/19/14/05/221191405.db2.gz SEBZZJDSTRPTHT-AWEZNQCLSA-N 2 2 337.493 1.102 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000118834800 221192168 /nfs/dbraw/zinc/19/21/68/221192168.db2.gz NMWMPVADXLCGNZ-SFHVURJKSA-N 2 2 348.466 1.154 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000118834800 221192172 /nfs/dbraw/zinc/19/21/72/221192172.db2.gz NMWMPVADXLCGNZ-SFHVURJKSA-N 2 2 348.466 1.154 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000264251145 139390288 /nfs/dbraw/zinc/39/02/88/139390288.db2.gz BRHVUMZHFSAVKI-UHFFFAOYSA-N 2 2 334.464 1.092 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000264251145 139390289 /nfs/dbraw/zinc/39/02/89/139390289.db2.gz BRHVUMZHFSAVKI-UHFFFAOYSA-N 2 2 334.464 1.092 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264259858 139391141 /nfs/dbraw/zinc/39/11/41/139391141.db2.gz SVFWLJPLUAXBLK-KRWDZBQOSA-N 2 2 328.416 1.234 20 0 EDADLP COC(=O)[C@H](c1cccnc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000154195406 533371207 /nfs/dbraw/zinc/37/12/07/533371207.db2.gz VTHJJVCWJRIVAS-SFHVURJKSA-N 2 2 347.459 1.873 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[C@@H](O)c2ccccc2)CC1 ZINC000270375474 140088532 /nfs/dbraw/zinc/08/85/32/140088532.db2.gz ITAGKKBUKITRCS-GOSISDBHSA-N 2 2 348.491 1.435 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000271118925 140240015 /nfs/dbraw/zinc/24/00/15/140240015.db2.gz ISGYDDIHARQZCT-KRWDZBQOSA-N 2 2 340.427 1.931 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000271118925 140240016 /nfs/dbraw/zinc/24/00/16/140240016.db2.gz ISGYDDIHARQZCT-KRWDZBQOSA-N 2 2 340.427 1.931 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1nc2ccccc2n1C ZINC000271733813 140341313 /nfs/dbraw/zinc/34/13/13/140341313.db2.gz PEBWRPXFEAUYPY-CJNGLKHVSA-N 2 2 329.448 1.564 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1nc2ccccc2n1C ZINC000271733813 140341314 /nfs/dbraw/zinc/34/13/14/140341314.db2.gz PEBWRPXFEAUYPY-CJNGLKHVSA-N 2 2 329.448 1.564 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000331892266 141094735 /nfs/dbraw/zinc/09/47/35/141094735.db2.gz SWVKOAHCFXHMDX-UHFFFAOYSA-N 2 2 345.447 1.233 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@@H+]1CCc2ccccc2C1 ZINC000331963344 141103704 /nfs/dbraw/zinc/10/37/04/141103704.db2.gz BFOHHFVEIZESGW-APWZRJJASA-N 2 2 345.487 1.396 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@H+]1CCc2ccccc2C1 ZINC000331963344 141103705 /nfs/dbraw/zinc/10/37/05/141103705.db2.gz BFOHHFVEIZESGW-APWZRJJASA-N 2 2 345.487 1.396 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCc2ccccc2C1 ZINC000331963344 141103706 /nfs/dbraw/zinc/10/37/06/141103706.db2.gz BFOHHFVEIZESGW-APWZRJJASA-N 2 2 345.487 1.396 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)[NH+]1CCc2ccccc2C1 ZINC000331963344 141103707 /nfs/dbraw/zinc/10/37/07/141103707.db2.gz BFOHHFVEIZESGW-APWZRJJASA-N 2 2 345.487 1.396 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC000332049492 141114900 /nfs/dbraw/zinc/11/49/00/141114900.db2.gz SZPKJNMYJIBYRB-IAGOWNOFSA-N 2 2 344.459 1.257 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC000332049492 141114901 /nfs/dbraw/zinc/11/49/01/141114901.db2.gz SZPKJNMYJIBYRB-IAGOWNOFSA-N 2 2 344.459 1.257 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)c[nH+]2)CC1 ZINC000332066307 141117233 /nfs/dbraw/zinc/11/72/33/141117233.db2.gz SCYYZZYPTZVRNS-MRXNPFEDSA-N 2 2 331.464 1.951 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333124761 141267802 /nfs/dbraw/zinc/26/78/02/141267802.db2.gz AYRQAXXGLBQGFE-FPCVCCKLSA-N 2 2 329.448 1.348 20 0 EDADLP C[NH+]1CCN(C(=O)Cc2noc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)CC1 ZINC000333173588 141275879 /nfs/dbraw/zinc/27/58/79/141275879.db2.gz KWCWMFKUEXBSLP-HNNXBMFYSA-N 2 2 347.463 1.466 20 0 EDADLP C[NH+]1CCN(C(=O)Cc2noc([C@@H]3CCC[N@H+]3C3CCCC3)n2)CC1 ZINC000333173588 141275880 /nfs/dbraw/zinc/27/58/80/141275880.db2.gz KWCWMFKUEXBSLP-HNNXBMFYSA-N 2 2 347.463 1.466 20 0 EDADLP Cc1nc(N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c2c([nH+]1)CCCC2 ZINC000333473796 141323023 /nfs/dbraw/zinc/32/30/23/141323023.db2.gz BCTJWFBVAZLVJY-CQSZACIVSA-N 2 2 327.436 1.556 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333612259 141344737 /nfs/dbraw/zinc/34/47/37/141344737.db2.gz QQUJNADCALZLIA-HUUCEWRRSA-N 2 2 331.464 1.751 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000333696778 141360684 /nfs/dbraw/zinc/36/06/84/141360684.db2.gz CZJSKNHOWJBQEX-GOEBONIOSA-N 2 2 338.496 1.127 20 0 EDADLP COc1cc(C)[nH+]c(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000339547013 142073287 /nfs/dbraw/zinc/07/32/87/142073287.db2.gz ZJNDIFXOKOHPFN-IBGZPJMESA-N 2 2 341.455 1.907 20 0 EDADLP COc1cc(C)[nH+]c(CNC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000339547013 142073288 /nfs/dbraw/zinc/07/32/88/142073288.db2.gz ZJNDIFXOKOHPFN-IBGZPJMESA-N 2 2 341.455 1.907 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1nnc(-c2ccco2)o1 ZINC000339979692 142219999 /nfs/dbraw/zinc/21/99/99/142219999.db2.gz KIQYLHLXOHCXAR-NSHDSACASA-N 2 2 342.359 1.871 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1nnc(-c2ccco2)o1 ZINC000339979692 142220001 /nfs/dbraw/zinc/22/00/01/142220001.db2.gz KIQYLHLXOHCXAR-NSHDSACASA-N 2 2 342.359 1.871 20 0 EDADLP CC[C@@H](C[C@@H](C)CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340250195 142319714 /nfs/dbraw/zinc/31/97/14/142319714.db2.gz IGOPSKZCRHRFRB-CABCVRRESA-N 2 2 328.501 1.109 20 0 EDADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000342557795 142732177 /nfs/dbraw/zinc/73/21/77/142732177.db2.gz PRMAOMAHDZASNA-UHFFFAOYSA-N 3 2 325.497 1.868 20 0 EDADLP CC[N@H+](CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C(C)C ZINC000344776057 143010564 /nfs/dbraw/zinc/01/05/64/143010564.db2.gz OMXRNVYJWXLWLN-HZPDHXFCSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@@H+](CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C(C)C ZINC000344776057 143010565 /nfs/dbraw/zinc/01/05/65/143010565.db2.gz OMXRNVYJWXLWLN-HZPDHXFCSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000344922158 143027163 /nfs/dbraw/zinc/02/71/63/143027163.db2.gz RGFWTZXOQLEEQC-CQSZACIVSA-N 2 2 347.507 1.948 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000344922158 143027164 /nfs/dbraw/zinc/02/71/64/143027164.db2.gz RGFWTZXOQLEEQC-CQSZACIVSA-N 2 2 347.507 1.948 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000345906253 143145583 /nfs/dbraw/zinc/14/55/83/143145583.db2.gz MXGHATDBVJEZDJ-YOEHRIQHSA-N 2 2 342.447 1.750 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000345906253 143145584 /nfs/dbraw/zinc/14/55/84/143145584.db2.gz MXGHATDBVJEZDJ-YOEHRIQHSA-N 2 2 342.447 1.750 20 0 EDADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[N@@H+]1CCOC ZINC000346248364 143183387 /nfs/dbraw/zinc/18/33/87/143183387.db2.gz YNTGRHVJCYWADY-MRXNPFEDSA-N 2 2 336.480 1.966 20 0 EDADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[N@H+]1CCOC ZINC000346248364 143183388 /nfs/dbraw/zinc/18/33/88/143183388.db2.gz YNTGRHVJCYWADY-MRXNPFEDSA-N 2 2 336.480 1.966 20 0 EDADLP COc1ccc(OC(F)F)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000347077277 143279728 /nfs/dbraw/zinc/27/97/28/143279728.db2.gz VIMKHYGAHSRUCZ-UHFFFAOYSA-N 2 2 343.374 1.160 20 0 EDADLP COc1ccc(OC(F)F)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000347077277 143279729 /nfs/dbraw/zinc/27/97/29/143279729.db2.gz VIMKHYGAHSRUCZ-UHFFFAOYSA-N 2 2 343.374 1.160 20 0 EDADLP C[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCOCC1 ZINC000347157988 143288923 /nfs/dbraw/zinc/28/89/23/143288923.db2.gz JJFTYLBSNLMTKB-MRXNPFEDSA-N 2 2 346.475 1.477 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccccc2F)o1 ZINC000347208546 143295103 /nfs/dbraw/zinc/29/51/03/143295103.db2.gz NNRVHYUTDCZKLI-UHFFFAOYSA-N 2 2 331.391 1.949 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccccc2F)o1 ZINC000347208546 143295104 /nfs/dbraw/zinc/29/51/04/143295104.db2.gz NNRVHYUTDCZKLI-UHFFFAOYSA-N 2 2 331.391 1.949 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347454984 143323578 /nfs/dbraw/zinc/32/35/78/143323578.db2.gz UEHCGIRTRDHGAG-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347454984 143323579 /nfs/dbraw/zinc/32/35/79/143323579.db2.gz UEHCGIRTRDHGAG-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347454984 143323580 /nfs/dbraw/zinc/32/35/80/143323580.db2.gz UEHCGIRTRDHGAG-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347454984 143323581 /nfs/dbraw/zinc/32/35/81/143323581.db2.gz UEHCGIRTRDHGAG-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP COC(=O)[C@@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)[C@@H]1C(=O)OC ZINC000347847483 143369879 /nfs/dbraw/zinc/36/98/79/143369879.db2.gz GMQIIBFNTZIDBK-CVEARBPZSA-N 2 2 334.416 1.749 20 0 EDADLP COC(=O)[C@@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)[C@@H]1C(=O)OC ZINC000347847483 143369880 /nfs/dbraw/zinc/36/98/80/143369880.db2.gz GMQIIBFNTZIDBK-CVEARBPZSA-N 2 2 334.416 1.749 20 0 EDADLP CC[C@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H]1N1CCOCC1 ZINC000347912733 143378415 /nfs/dbraw/zinc/37/84/15/143378415.db2.gz FOSPZSFSMWEPDK-HOCLYGCPSA-N 2 2 338.521 1.747 20 0 EDADLP CC[C@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H]1N1CCOCC1 ZINC000347912733 143378416 /nfs/dbraw/zinc/37/84/16/143378416.db2.gz FOSPZSFSMWEPDK-HOCLYGCPSA-N 2 2 338.521 1.747 20 0 EDADLP CC[C@H]1CN(Cc2ncc(C[NH+](C)C)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000347912733 143378417 /nfs/dbraw/zinc/37/84/17/143378417.db2.gz FOSPZSFSMWEPDK-HOCLYGCPSA-N 2 2 338.521 1.747 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000572884852 306602749 /nfs/dbraw/zinc/60/27/49/306602749.db2.gz XXKDFCUDSZFCNB-GOSISDBHSA-N 2 2 348.466 1.596 20 0 EDADLP Cc1ccc([C@H](O)C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000369782015 155176181 /nfs/dbraw/zinc/17/61/81/155176181.db2.gz KOWYUKRYFSKRHF-YSIASYRMSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccc([C@H](O)C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000369782015 155176185 /nfs/dbraw/zinc/17/61/85/155176185.db2.gz KOWYUKRYFSKRHF-YSIASYRMSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccc([C@H](O)C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000369782015 155176187 /nfs/dbraw/zinc/17/61/87/155176187.db2.gz KOWYUKRYFSKRHF-YSIASYRMSA-N 2 2 347.503 1.365 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416856042 304352128 /nfs/dbraw/zinc/35/21/28/304352128.db2.gz CLMUANHEULWAHW-YOEHRIQHSA-N 2 2 332.448 1.150 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NCC(C)(C)[NH3+])cc1 ZINC000416894981 304353973 /nfs/dbraw/zinc/35/39/73/304353973.db2.gz ZUPAHRWZVZMSCL-INIZCTEOSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH3+])[NH+]2CCOCC2)cc1 ZINC000417171343 292200092 /nfs/dbraw/zinc/20/00/92/292200092.db2.gz DRPJBWSQNYRBRH-DOTOQJQBSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000416895908 304354031 /nfs/dbraw/zinc/35/40/31/304354031.db2.gz VGCLBOOJYYUNOL-QGZVFWFLSA-N 2 2 333.411 1.688 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[N@H+](C)C1 ZINC000332291417 286086132 /nfs/dbraw/zinc/08/61/32/286086132.db2.gz ZRNUWZZRGYMHAD-RDBSUJKOSA-N 2 2 334.464 1.331 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[N@@H+](C)C1 ZINC000332291417 286086134 /nfs/dbraw/zinc/08/61/34/286086134.db2.gz ZRNUWZZRGYMHAD-RDBSUJKOSA-N 2 2 334.464 1.331 20 0 EDADLP CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353091656 149282217 /nfs/dbraw/zinc/28/22/17/149282217.db2.gz CKFCJKPPQXSSBK-KRWDZBQOSA-N 2 2 348.472 1.776 20 0 EDADLP Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369930564 155240864 /nfs/dbraw/zinc/24/08/64/155240864.db2.gz ZRQGMWKIEBNNSI-BBRMVZONSA-N 2 2 347.507 1.490 20 0 EDADLP Cc1n[nH]c(C)c1C[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369930564 155240867 /nfs/dbraw/zinc/24/08/67/155240867.db2.gz ZRQGMWKIEBNNSI-BBRMVZONSA-N 2 2 347.507 1.490 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354959095 150054716 /nfs/dbraw/zinc/05/47/16/150054716.db2.gz NFNUBIFGNSTZDP-UHFFFAOYSA-N 2 2 334.464 1.376 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354959095 150054717 /nfs/dbraw/zinc/05/47/17/150054717.db2.gz NFNUBIFGNSTZDP-UHFFFAOYSA-N 2 2 334.464 1.376 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc3ccccn32)[C@H](C)C1 ZINC000354961163 150055749 /nfs/dbraw/zinc/05/57/49/150055749.db2.gz BYRJGYCMIPQDGB-CVEARBPZSA-N 2 2 331.464 1.956 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc3ccccn32)[C@H](C)C1 ZINC000354961163 150055750 /nfs/dbraw/zinc/05/57/50/150055750.db2.gz BYRJGYCMIPQDGB-CVEARBPZSA-N 2 2 331.464 1.956 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000355048373 150091269 /nfs/dbraw/zinc/09/12/69/150091269.db2.gz KMGPGQTVDIWQRQ-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000355048373 150091270 /nfs/dbraw/zinc/09/12/70/150091270.db2.gz KMGPGQTVDIWQRQ-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000416982648 304361002 /nfs/dbraw/zinc/36/10/02/304361002.db2.gz ILRPIIWROHDPHZ-KGLIPLIRSA-N 2 2 335.452 1.104 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000355371085 150239619 /nfs/dbraw/zinc/23/96/19/150239619.db2.gz PAWSVHZUFSNQQV-UHFFFAOYSA-N 2 2 345.447 1.587 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000355410089 150256830 /nfs/dbraw/zinc/25/68/30/150256830.db2.gz KBORHAFLTCHOBE-HLLBOEOZSA-N 2 2 341.521 1.183 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000355410089 150256831 /nfs/dbraw/zinc/25/68/31/150256831.db2.gz KBORHAFLTCHOBE-HLLBOEOZSA-N 2 2 341.521 1.183 20 0 EDADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417028576 304362210 /nfs/dbraw/zinc/36/22/10/304362210.db2.gz CQYREWQRXGHBCB-QGZVFWFLSA-N 2 2 348.491 1.686 20 0 EDADLP CC(C)C[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355413913 150258412 /nfs/dbraw/zinc/25/84/12/150258412.db2.gz VOFWVMAJSKMMGM-YESZJQIVSA-N 2 2 325.497 1.722 20 0 EDADLP CCC[N@H+](C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000355456839 150276970 /nfs/dbraw/zinc/27/69/70/150276970.db2.gz OBJCBXHLROWMDD-UHFFFAOYSA-N 2 2 332.448 1.355 20 0 EDADLP CCC[N@@H+](C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000355456839 150276972 /nfs/dbraw/zinc/27/69/72/150276972.db2.gz OBJCBXHLROWMDD-UHFFFAOYSA-N 2 2 332.448 1.355 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000357368201 151008706 /nfs/dbraw/zinc/00/87/06/151008706.db2.gz DWOUYZYDCGZJGE-HKUYNNGSSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000357368201 151008707 /nfs/dbraw/zinc/00/87/07/151008707.db2.gz DWOUYZYDCGZJGE-HKUYNNGSSA-N 2 2 349.519 1.964 20 0 EDADLP CC[NH+]1CCN(CCNC(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000357500516 151049204 /nfs/dbraw/zinc/04/92/04/151049204.db2.gz NIONLUVEYUHSAU-UHFFFAOYSA-N 2 2 329.448 1.249 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@@H](O)C3)CC2)c1 ZINC000357571286 151071094 /nfs/dbraw/zinc/07/10/94/151071094.db2.gz OTAXBJMLRIGJHT-MJGOQNOKSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](O)C3)CC2)c1 ZINC000357571286 151071096 /nfs/dbraw/zinc/07/10/96/151071096.db2.gz OTAXBJMLRIGJHT-MJGOQNOKSA-N 2 2 345.487 1.342 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000357625456 151089771 /nfs/dbraw/zinc/08/97/71/151089771.db2.gz SNQOVTCLLFUETA-HOTGVXAUSA-N 2 2 333.480 1.245 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000357649381 151101865 /nfs/dbraw/zinc/10/18/65/151101865.db2.gz PTWOVMQSSVQBOV-IRXDYDNUSA-N 2 2 347.503 1.683 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000357649381 151101866 /nfs/dbraw/zinc/10/18/66/151101866.db2.gz PTWOVMQSSVQBOV-IRXDYDNUSA-N 2 2 347.503 1.683 20 0 EDADLP CC[NH+](CC)CC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000357860018 151174849 /nfs/dbraw/zinc/17/48/49/151174849.db2.gz APWCDTAKNDCQDB-UHFFFAOYSA-N 2 2 349.475 1.520 20 0 EDADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417073457 304369996 /nfs/dbraw/zinc/36/99/96/304369996.db2.gz MGJLEGZXURDWLJ-WMLDXEAASA-N 2 2 327.432 1.729 20 0 EDADLP CCn1cc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000357967317 151215100 /nfs/dbraw/zinc/21/51/00/151215100.db2.gz LLAPQHIXVPLETG-UHFFFAOYSA-N 2 2 336.484 1.070 20 0 EDADLP CCn1cc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000357967317 151215101 /nfs/dbraw/zinc/21/51/01/151215101.db2.gz LLAPQHIXVPLETG-UHFFFAOYSA-N 2 2 336.484 1.070 20 0 EDADLP FC1(F)CCC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000358291844 151328578 /nfs/dbraw/zinc/32/85/78/151328578.db2.gz GSXBWJDKJPUZFT-MRXNPFEDSA-N 2 2 331.451 1.951 20 0 EDADLP FC1(F)CCC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000358291844 151328580 /nfs/dbraw/zinc/32/85/80/151328580.db2.gz GSXBWJDKJPUZFT-MRXNPFEDSA-N 2 2 331.451 1.951 20 0 EDADLP CSC1(CNC(=O)N(C)CCCn2cc[nH+]c2)CC[NH+](C)CC1 ZINC000358300467 151330595 /nfs/dbraw/zinc/33/05/95/151330595.db2.gz GCFGZMJQRSIJLP-UHFFFAOYSA-N 2 2 339.509 1.742 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000358406222 151364404 /nfs/dbraw/zinc/36/44/04/151364404.db2.gz GEJGNHZGDHZLRW-UHFFFAOYSA-N 2 2 346.431 1.631 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000358406222 151364407 /nfs/dbraw/zinc/36/44/07/151364407.db2.gz GEJGNHZGDHZLRW-UHFFFAOYSA-N 2 2 346.431 1.631 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000358436709 151375663 /nfs/dbraw/zinc/37/56/63/151375663.db2.gz MUCOIFGSRHOURC-ULQDDVLXSA-N 2 2 340.512 1.611 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000358436709 151375665 /nfs/dbraw/zinc/37/56/65/151375665.db2.gz MUCOIFGSRHOURC-ULQDDVLXSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCO1 ZINC000370070042 155312112 /nfs/dbraw/zinc/31/21/12/155312112.db2.gz MCUHIBWDHIGCHL-HNNXBMFYSA-N 2 2 349.479 1.800 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCO1 ZINC000370070042 155312114 /nfs/dbraw/zinc/31/21/14/155312114.db2.gz MCUHIBWDHIGCHL-HNNXBMFYSA-N 2 2 349.479 1.800 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCO1 ZINC000370070042 155312117 /nfs/dbraw/zinc/31/21/17/155312117.db2.gz MCUHIBWDHIGCHL-HNNXBMFYSA-N 2 2 349.479 1.800 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCO1 ZINC000370070042 155312119 /nfs/dbraw/zinc/31/21/19/155312119.db2.gz MCUHIBWDHIGCHL-HNNXBMFYSA-N 2 2 349.479 1.800 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCO1 ZINC000370070043 155312187 /nfs/dbraw/zinc/31/21/87/155312187.db2.gz MCUHIBWDHIGCHL-OAHLLOKOSA-N 2 2 349.479 1.800 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCO1 ZINC000370070043 155312189 /nfs/dbraw/zinc/31/21/89/155312189.db2.gz MCUHIBWDHIGCHL-OAHLLOKOSA-N 2 2 349.479 1.800 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCO1 ZINC000370070043 155312192 /nfs/dbraw/zinc/31/21/92/155312192.db2.gz MCUHIBWDHIGCHL-OAHLLOKOSA-N 2 2 349.479 1.800 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCO1 ZINC000370070043 155312195 /nfs/dbraw/zinc/31/21/95/155312195.db2.gz MCUHIBWDHIGCHL-OAHLLOKOSA-N 2 2 349.479 1.800 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+]2CCOCC2)cc1 ZINC000237787669 292253546 /nfs/dbraw/zinc/25/35/46/292253546.db2.gz WNHVPRSXWPJRSS-DLBZAZTESA-N 2 2 333.476 1.858 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000360568960 152101215 /nfs/dbraw/zinc/10/12/15/152101215.db2.gz LPFDPBLUCCNIJS-SFHVURJKSA-N 2 2 333.432 1.005 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000360568960 152101217 /nfs/dbraw/zinc/10/12/17/152101217.db2.gz LPFDPBLUCCNIJS-SFHVURJKSA-N 2 2 333.432 1.005 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000370132114 155341868 /nfs/dbraw/zinc/34/18/68/155341868.db2.gz VJMCBXJFYUNSBD-JKSUJKDBSA-N 2 2 342.447 1.939 20 0 EDADLP O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1C[NH+]1CCOCC1 ZINC000361093485 152299883 /nfs/dbraw/zinc/29/98/83/152299883.db2.gz AGROEYDWLYBUGS-OALUTQOASA-N 2 2 343.471 1.637 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cncc(F)c1 ZINC000361121620 152311772 /nfs/dbraw/zinc/31/17/72/152311772.db2.gz VYHYGZLYCDOFBT-AWEZNQCLSA-N 2 2 346.406 1.809 20 0 EDADLP CC[C@H]1CN(CC[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CCO1 ZINC000361146628 152319660 /nfs/dbraw/zinc/31/96/60/152319660.db2.gz POCQESIJQLDREC-KRWDZBQOSA-N 2 2 341.496 1.104 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(N2CCCC2=O)c1 ZINC000361344124 152366876 /nfs/dbraw/zinc/36/68/76/152366876.db2.gz BZHDPLUNPIJIPC-CRAIPNDOSA-N 2 2 330.476 1.710 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(N2CCCC2=O)c1 ZINC000361344124 152366877 /nfs/dbraw/zinc/36/68/77/152366877.db2.gz BZHDPLUNPIJIPC-CRAIPNDOSA-N 2 2 330.476 1.710 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000370165294 155358731 /nfs/dbraw/zinc/35/87/31/155358731.db2.gz VCDCRMIXVSAPCG-INIZCTEOSA-N 3 2 347.507 1.714 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000370165294 155358733 /nfs/dbraw/zinc/35/87/33/155358733.db2.gz VCDCRMIXVSAPCG-INIZCTEOSA-N 3 2 347.507 1.714 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417168215 304379937 /nfs/dbraw/zinc/37/99/37/304379937.db2.gz AMAPDIUHHJEGOC-QGZVFWFLSA-N 2 2 334.464 1.277 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])C2CC2)[NH+]2CCOCC2)cc1 ZINC000417181217 304381397 /nfs/dbraw/zinc/38/13/97/304381397.db2.gz PJYFRADVKLVWPE-ROUUACIJSA-N 2 2 346.475 1.405 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000363667688 153024272 /nfs/dbraw/zinc/02/42/72/153024272.db2.gz XGHYELHWFGGVMK-UHFFFAOYSA-N 2 2 343.475 1.441 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)c1 ZINC000363750787 153046534 /nfs/dbraw/zinc/04/65/34/153046534.db2.gz WILFHYAADZFLEF-ZAAXVRCTSA-N 2 2 343.471 1.900 20 0 EDADLP CCc1nc(CN2C[C@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@@H]3C2)no1 ZINC000363858391 153076568 /nfs/dbraw/zinc/07/65/68/153076568.db2.gz VEZSQIIXWZZHSQ-GJZGRUSLSA-N 2 2 342.447 1.915 20 0 EDADLP CCc1nc(C[NH+]2C[C@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@@H]3C2)no1 ZINC000363858391 153076570 /nfs/dbraw/zinc/07/65/70/153076570.db2.gz VEZSQIIXWZZHSQ-GJZGRUSLSA-N 2 2 342.447 1.915 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccnc(-n2cc[nH+]c2)c1 ZINC000363976427 153112446 /nfs/dbraw/zinc/11/24/46/153112446.db2.gz WCOGPVDPDKEEFE-UHFFFAOYSA-N 2 2 336.399 1.773 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000364078139 153140145 /nfs/dbraw/zinc/14/01/45/153140145.db2.gz VZDOGJRRNBGVPW-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000364078139 153140148 /nfs/dbraw/zinc/14/01/48/153140148.db2.gz VZDOGJRRNBGVPW-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000364195058 153169089 /nfs/dbraw/zinc/16/90/89/153169089.db2.gz LWVGHAWQRLASFI-XJKSGUPXSA-N 2 2 334.370 1.813 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(C(C)(C)C)nn3)C2)CC1 ZINC000364473730 153247395 /nfs/dbraw/zinc/24/73/95/153247395.db2.gz UTEJAOBFYWAOGS-QGZVFWFLSA-N 2 2 334.512 1.633 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364545697 153265014 /nfs/dbraw/zinc/26/50/14/153265014.db2.gz MXECZKCFIKMGCS-AWEZNQCLSA-N 2 2 326.466 1.063 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364545697 153265015 /nfs/dbraw/zinc/26/50/15/153265015.db2.gz MXECZKCFIKMGCS-AWEZNQCLSA-N 2 2 326.466 1.063 20 0 EDADLP C[C@H](O)CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000364896549 153362874 /nfs/dbraw/zinc/36/28/74/153362874.db2.gz WQGFPOVEIGLKTF-INIZCTEOSA-N 2 2 340.512 1.397 20 0 EDADLP COCC1(CNC(=O)NCc2cn3ccc(C)cc3[nH+]2)CC[NH2+]CC1 ZINC000417210721 304384686 /nfs/dbraw/zinc/38/46/86/304384686.db2.gz CEBCNHXXXDDZAB-UHFFFAOYSA-N 2 2 345.447 1.458 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)c[nH+]1 ZINC000367081802 154003129 /nfs/dbraw/zinc/00/31/29/154003129.db2.gz VNSBSOLOHGXFTM-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000367110522 154011797 /nfs/dbraw/zinc/01/17/97/154011797.db2.gz NPSDCDLNFALYGH-JKSUJKDBSA-N 2 2 341.415 1.250 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000367110522 154011799 /nfs/dbraw/zinc/01/17/99/154011799.db2.gz NPSDCDLNFALYGH-JKSUJKDBSA-N 2 2 341.415 1.250 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000367136026 154018685 /nfs/dbraw/zinc/01/86/85/154018685.db2.gz STCACJNEXUXPHR-INIZCTEOSA-N 2 2 334.383 1.449 20 0 EDADLP Cc1cccc2ncc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)n21 ZINC000367472293 154138935 /nfs/dbraw/zinc/13/89/35/154138935.db2.gz HWUFOZVYAQHCHO-QGZVFWFLSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1cccc2ncc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)n21 ZINC000367472293 154138940 /nfs/dbraw/zinc/13/89/40/154138940.db2.gz HWUFOZVYAQHCHO-QGZVFWFLSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367583598 154187661 /nfs/dbraw/zinc/18/76/61/154187661.db2.gz DKCYXXPDODLJKM-DOTOQJQBSA-N 2 2 331.441 1.800 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367583598 154187664 /nfs/dbraw/zinc/18/76/64/154187664.db2.gz DKCYXXPDODLJKM-DOTOQJQBSA-N 2 2 331.441 1.800 20 0 EDADLP C[NH2+][C@H](C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1cnn(C)c1 ZINC000367651007 154214485 /nfs/dbraw/zinc/21/44/85/154214485.db2.gz MOPHFSJDIGMFDX-HNNXBMFYSA-N 2 2 325.376 1.208 20 0 EDADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000368025191 154373738 /nfs/dbraw/zinc/37/37/38/154373738.db2.gz VUBUTODSVRCCTF-DLBZAZTESA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)Cn1ncnc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368035772 154377423 /nfs/dbraw/zinc/37/74/23/154377423.db2.gz HONFXGOYWZFHDJ-UHFFFAOYSA-N 2 2 335.496 1.868 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417326632 304392139 /nfs/dbraw/zinc/39/21/39/304392139.db2.gz KRUNXXCHWUIHBY-MCIONIFRSA-N 2 2 332.439 1.651 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417326632 304392140 /nfs/dbraw/zinc/39/21/40/304392140.db2.gz KRUNXXCHWUIHBY-MCIONIFRSA-N 2 2 332.439 1.651 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369421113 155025123 /nfs/dbraw/zinc/02/51/23/155025123.db2.gz NUYRFQDZMASMNN-GOEBONIOSA-N 2 2 325.416 1.966 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369421113 155025128 /nfs/dbraw/zinc/02/51/28/155025128.db2.gz NUYRFQDZMASMNN-GOEBONIOSA-N 2 2 325.416 1.966 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000369533566 155076091 /nfs/dbraw/zinc/07/60/91/155076091.db2.gz TZEBCMJSUQZVFT-SFHVURJKSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000369533566 155076094 /nfs/dbraw/zinc/07/60/94/155076094.db2.gz TZEBCMJSUQZVFT-SFHVURJKSA-N 2 2 335.492 1.620 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccn([C@@H]3CCC[NH2+]C3)n1)C2 ZINC000369557544 155086395 /nfs/dbraw/zinc/08/63/95/155086395.db2.gz WHCUXCDWISWYPU-UONOGXRCSA-N 2 2 328.420 1.057 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369566454 155089102 /nfs/dbraw/zinc/08/91/02/155089102.db2.gz CPOPOVQXTOTLDU-OWCLPIDISA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369566454 155089105 /nfs/dbraw/zinc/08/91/05/155089105.db2.gz CPOPOVQXTOTLDU-OWCLPIDISA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369648767 155119661 /nfs/dbraw/zinc/11/96/61/155119661.db2.gz PWEWYRKYTSESJL-YVSFHVDLSA-N 2 2 345.491 1.771 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369648767 155119663 /nfs/dbraw/zinc/11/96/63/155119663.db2.gz PWEWYRKYTSESJL-YVSFHVDLSA-N 2 2 345.491 1.771 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369648767 155119666 /nfs/dbraw/zinc/11/96/66/155119666.db2.gz PWEWYRKYTSESJL-YVSFHVDLSA-N 2 2 345.491 1.771 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369648767 155119668 /nfs/dbraw/zinc/11/96/68/155119668.db2.gz PWEWYRKYTSESJL-YVSFHVDLSA-N 2 2 345.491 1.771 20 0 EDADLP CCN1CCO[C@@H](C[NH+]2CCN(CC[NH+]3CCC(C)CC3)CC2)C1 ZINC000372043087 156223351 /nfs/dbraw/zinc/22/33/51/156223351.db2.gz STVQOQNMNLCISM-LJQANCHMSA-N 2 2 338.540 1.057 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cnoc3C3CC3)CC2)C1 ZINC000372256935 156290558 /nfs/dbraw/zinc/29/05/58/156290558.db2.gz WMPTVGAKFZLQSX-KRWDZBQOSA-N 2 2 334.464 1.390 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cnoc3C3CC3)CC2)C1 ZINC000372256935 156290560 /nfs/dbraw/zinc/29/05/60/156290560.db2.gz WMPTVGAKFZLQSX-KRWDZBQOSA-N 2 2 334.464 1.390 20 0 EDADLP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000373786035 157004516 /nfs/dbraw/zinc/00/45/16/157004516.db2.gz DXYYWGIGGWYJRO-SJORKVTESA-N 2 2 342.443 1.834 20 0 EDADLP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000373786035 157004527 /nfs/dbraw/zinc/00/45/27/157004527.db2.gz DXYYWGIGGWYJRO-SJORKVTESA-N 2 2 342.443 1.834 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000374058756 157125138 /nfs/dbraw/zinc/12/51/38/157125138.db2.gz WLXQPJJSAGSIQA-UHFFFAOYSA-N 2 2 336.524 1.491 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374322196 157243793 /nfs/dbraw/zinc/24/37/93/157243793.db2.gz CDHNWSFKCKWRDX-BBRMVZONSA-N 2 2 339.915 1.840 20 0 EDADLP COCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000374490990 157306990 /nfs/dbraw/zinc/30/69/90/157306990.db2.gz DKPNWWGFWMPHGF-OAHLLOKOSA-N 2 2 338.496 1.271 20 0 EDADLP COCC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000374490990 157306992 /nfs/dbraw/zinc/30/69/92/157306992.db2.gz DKPNWWGFWMPHGF-OAHLLOKOSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3cncc(O)c3)C2)CC1 ZINC000374782887 157398896 /nfs/dbraw/zinc/39/88/96/157398896.db2.gz QCODHRIYSGVFPI-FAAWYNLUSA-N 2 2 330.432 1.085 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3cncc(O)c3)C2)CC1 ZINC000374782887 157398898 /nfs/dbraw/zinc/39/88/98/157398898.db2.gz QCODHRIYSGVFPI-FAAWYNLUSA-N 2 2 330.432 1.085 20 0 EDADLP CC(C)CC(=O)N1CCC(C[N@@H+]2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000374780586 157399016 /nfs/dbraw/zinc/39/90/16/157399016.db2.gz REDSPUZBJDTPGP-KRWDZBQOSA-N 2 2 325.497 1.534 20 0 EDADLP CC(C)CC(=O)N1CCC(C[N@H+]2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000374780586 157399017 /nfs/dbraw/zinc/39/90/17/157399017.db2.gz REDSPUZBJDTPGP-KRWDZBQOSA-N 2 2 325.497 1.534 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000378153807 158094700 /nfs/dbraw/zinc/09/47/00/158094700.db2.gz UIJMYTCYHCMXFV-SPUZQDLCSA-N 2 2 331.460 1.692 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000378153807 158094702 /nfs/dbraw/zinc/09/47/02/158094702.db2.gz UIJMYTCYHCMXFV-SPUZQDLCSA-N 2 2 331.460 1.692 20 0 EDADLP COc1ccc2c(c1)[C@H](C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC000378382779 158159573 /nfs/dbraw/zinc/15/95/73/158159573.db2.gz YMJNPWAFEDPYIZ-OAHLLOKOSA-N 2 2 331.460 1.431 20 0 EDADLP COc1ccc2c(c1)[C@H](C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC000378382779 158159575 /nfs/dbraw/zinc/15/95/75/158159575.db2.gz YMJNPWAFEDPYIZ-OAHLLOKOSA-N 2 2 331.460 1.431 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378398289 158163550 /nfs/dbraw/zinc/16/35/50/158163550.db2.gz QFNLUYRYRKWFOL-APWZRJJASA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378398289 158163552 /nfs/dbraw/zinc/16/35/52/158163552.db2.gz QFNLUYRYRKWFOL-APWZRJJASA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1Cl)C[NH+]1CCOCC1 ZINC000576150340 306679202 /nfs/dbraw/zinc/67/92/02/306679202.db2.gz NYPIUCANOHZPMN-GJZGRUSLSA-N 2 2 342.867 1.638 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000352214595 162055223 /nfs/dbraw/zinc/05/52/23/162055223.db2.gz RBZSMEPTFJSDRS-HNNXBMFYSA-N 2 2 337.468 1.657 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352234614 162063993 /nfs/dbraw/zinc/06/39/93/162063993.db2.gz MFKTWSOIRRBXQJ-HNNXBMFYSA-N 2 2 348.495 1.215 20 0 EDADLP C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000352349810 162133697 /nfs/dbraw/zinc/13/36/97/162133697.db2.gz NHFZVSZXZARLHX-PWIZWCRZSA-N 2 2 348.487 1.484 20 0 EDADLP C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000352349810 162133700 /nfs/dbraw/zinc/13/37/00/162133700.db2.gz NHFZVSZXZARLHX-PWIZWCRZSA-N 2 2 348.487 1.484 20 0 EDADLP C[C@@H]1OCC[C@@]1(O)C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352349810 162133701 /nfs/dbraw/zinc/13/37/01/162133701.db2.gz NHFZVSZXZARLHX-PWIZWCRZSA-N 2 2 348.487 1.484 20 0 EDADLP C[C@@H]1OCC[C@@]1(O)C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352349810 162133703 /nfs/dbraw/zinc/13/37/03/162133703.db2.gz NHFZVSZXZARLHX-PWIZWCRZSA-N 2 2 348.487 1.484 20 0 EDADLP O=C1[C@@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCCN1c1cccc(F)c1 ZINC000352496081 162212887 /nfs/dbraw/zinc/21/28/87/162212887.db2.gz RQBMUFREACHFKN-MSOLQXFVSA-N 2 2 346.450 1.301 20 0 EDADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352512443 162222012 /nfs/dbraw/zinc/22/20/12/162222012.db2.gz XVQFUGLOTUJOJC-GOEBONIOSA-N 2 2 348.516 1.715 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000364633651 162340001 /nfs/dbraw/zinc/34/00/01/162340001.db2.gz XSPQDGCQSKVCEI-CQSZACIVSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)CC2 ZINC000364633651 162340004 /nfs/dbraw/zinc/34/00/04/162340004.db2.gz XSPQDGCQSKVCEI-CQSZACIVSA-N 2 2 348.491 1.553 20 0 EDADLP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178246 287140955 /nfs/dbraw/zinc/14/09/55/287140955.db2.gz PMCAUQHTAHRBJI-PSLXWICFSA-N 2 2 337.489 1.191 20 0 EDADLP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178246 287140956 /nfs/dbraw/zinc/14/09/56/287140956.db2.gz PMCAUQHTAHRBJI-PSLXWICFSA-N 2 2 337.489 1.191 20 0 EDADLP CC(C)[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000079008440 287297014 /nfs/dbraw/zinc/29/70/14/287297014.db2.gz MUCGJPSJSPLIKV-MRXNPFEDSA-N 2 2 340.512 1.253 20 0 EDADLP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158538304 225038795 /nfs/dbraw/zinc/03/87/95/225038795.db2.gz ZQTGEKNLRLDNOB-KRWDZBQOSA-N 2 2 340.475 1.734 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000122368190 222073764 /nfs/dbraw/zinc/07/37/64/222073764.db2.gz VQTVQIZMRDRSCR-IRXDYDNUSA-N 2 2 334.439 1.064 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000122368190 222073769 /nfs/dbraw/zinc/07/37/69/222073769.db2.gz VQTVQIZMRDRSCR-IRXDYDNUSA-N 2 2 334.439 1.064 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000123268904 222246934 /nfs/dbraw/zinc/24/69/34/222246934.db2.gz YWLSRORCUNHMFS-DLBZAZTESA-N 2 2 345.491 1.937 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000123268904 222246937 /nfs/dbraw/zinc/24/69/37/222246937.db2.gz YWLSRORCUNHMFS-DLBZAZTESA-N 2 2 345.491 1.937 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC000123453755 222279929 /nfs/dbraw/zinc/27/99/29/222279929.db2.gz BGXAZXJGSZIKPC-CABCVRRESA-N 2 2 325.478 1.379 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC000123453755 222279933 /nfs/dbraw/zinc/27/99/33/222279933.db2.gz BGXAZXJGSZIKPC-CABCVRRESA-N 2 2 325.478 1.379 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2)CC[NH+]1C ZINC000123453755 222279935 /nfs/dbraw/zinc/27/99/35/222279935.db2.gz BGXAZXJGSZIKPC-CABCVRRESA-N 2 2 325.478 1.379 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2)CC[NH+]1C ZINC000123453755 222279937 /nfs/dbraw/zinc/27/99/37/222279937.db2.gz BGXAZXJGSZIKPC-CABCVRRESA-N 2 2 325.478 1.379 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCOCC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000171870066 227327277 /nfs/dbraw/zinc/32/72/77/227327277.db2.gz OSNBNRSJMGPQGR-MRXNPFEDSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCOCC1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000171870066 227327283 /nfs/dbraw/zinc/32/72/83/227327283.db2.gz OSNBNRSJMGPQGR-MRXNPFEDSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCc2ccccc2C1 ZINC000171870066 227327287 /nfs/dbraw/zinc/32/72/87/227327287.db2.gz OSNBNRSJMGPQGR-MRXNPFEDSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCc2ccccc2C1 ZINC000171870066 227327291 /nfs/dbraw/zinc/32/72/91/227327291.db2.gz OSNBNRSJMGPQGR-MRXNPFEDSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418457543 304497335 /nfs/dbraw/zinc/49/73/35/304497335.db2.gz HBXJERUGMZMHRI-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000418483885 304501185 /nfs/dbraw/zinc/50/11/85/304501185.db2.gz CMAVKDRIXQSAIC-INIZCTEOSA-N 2 2 336.867 1.905 20 0 EDADLP OCCO[C@@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCOC1 ZINC000657597593 452364585 /nfs/dbraw/zinc/36/45/85/452364585.db2.gz AIPXYZGTEUJJBE-CQSZACIVSA-N 2 2 340.386 1.161 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917512 272970728 /nfs/dbraw/zinc/97/07/28/272970728.db2.gz GGTSDYVDUYSUPY-PBHICJAKSA-N 2 2 328.416 1.506 20 0 EDADLP COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH+]2CCC([NH3+])CC2)c1 ZINC000237412795 273009906 /nfs/dbraw/zinc/00/99/06/273009906.db2.gz AQHBOZDFMQLLNI-KRWDZBQOSA-N 2 2 347.459 1.790 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274682488 268183481 /nfs/dbraw/zinc/18/34/81/268183481.db2.gz XGARLZOXZKNGLU-QAPCUYQASA-N 2 2 343.475 1.392 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274682488 268183484 /nfs/dbraw/zinc/18/34/84/268183484.db2.gz XGARLZOXZKNGLU-QAPCUYQASA-N 2 2 343.475 1.392 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000173150439 272933301 /nfs/dbraw/zinc/93/33/01/272933301.db2.gz IDYHROFSTILLOM-GOSISDBHSA-N 2 2 337.508 1.678 20 0 EDADLP O[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)C[NH+]1CCCCC1 ZINC000277460842 273200637 /nfs/dbraw/zinc/20/06/37/273200637.db2.gz ODKDFRKXDROWJF-CQSZACIVSA-N 2 2 337.493 1.289 20 0 EDADLP O[C@H](CNc1cc(N2CCSCC2)nc[nH+]1)C[NH+]1CCCCC1 ZINC000277460842 273200639 /nfs/dbraw/zinc/20/06/39/273200639.db2.gz ODKDFRKXDROWJF-CQSZACIVSA-N 2 2 337.493 1.289 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H](C)O1 ZINC000279334021 273293905 /nfs/dbraw/zinc/29/39/05/273293905.db2.gz POLDHZJCQGAYAO-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H](C)O1 ZINC000279334021 273293906 /nfs/dbraw/zinc/29/39/06/273293906.db2.gz POLDHZJCQGAYAO-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000283016009 273759238 /nfs/dbraw/zinc/75/92/38/273759238.db2.gz PBYBLQZAKYPBFQ-INIZCTEOSA-N 2 2 341.463 1.129 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000283902125 274004022 /nfs/dbraw/zinc/00/40/22/274004022.db2.gz JDNIIYALPONXKP-AATRIKPKSA-N 2 2 340.427 1.696 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000346216938 274195229 /nfs/dbraw/zinc/19/52/29/274195229.db2.gz INVOZZMSZPNEGW-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000346216938 274195233 /nfs/dbraw/zinc/19/52/33/274195233.db2.gz INVOZZMSZPNEGW-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1OC ZINC000284419309 274195209 /nfs/dbraw/zinc/19/52/09/274195209.db2.gz CSPBWDGTSRTDFK-FZKQIMNGSA-N 2 2 344.415 1.547 20 0 EDADLP COCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000284671276 274288136 /nfs/dbraw/zinc/28/81/36/274288136.db2.gz WOOYOCYYGSNOQM-FUHWJXTLSA-N 2 2 346.479 1.436 20 0 EDADLP COCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000284671276 274288137 /nfs/dbraw/zinc/28/81/37/274288137.db2.gz WOOYOCYYGSNOQM-FUHWJXTLSA-N 2 2 346.479 1.436 20 0 EDADLP Cc1ccc(N2CCC[C@@H](C(=O)N3CC[NH+](C[C@H](C)O)CC3)C2)[nH+]c1 ZINC000363859410 274747943 /nfs/dbraw/zinc/74/79/43/274747943.db2.gz JQRKSXMLZIVPQP-DLBZAZTESA-N 2 2 346.475 1.131 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000367551583 275052252 /nfs/dbraw/zinc/05/22/52/275052252.db2.gz LANYZZYMHKKUER-FUHWJXTLSA-N 2 2 326.444 1.796 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C[N@H+]1CCc2ccccc2C1 ZINC000367551583 275052254 /nfs/dbraw/zinc/05/22/54/275052254.db2.gz LANYZZYMHKKUER-FUHWJXTLSA-N 2 2 326.444 1.796 20 0 EDADLP O=C(CC[NH2+][C@H]1CCC[C@@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000286022700 287917155 /nfs/dbraw/zinc/91/71/55/287917155.db2.gz HKVFAFMJXGCQIW-SJORKVTESA-N 2 2 346.475 1.261 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@H]4CCC[C@H]43)C2)CC1 ZINC000369375305 277028290 /nfs/dbraw/zinc/02/82/90/277028290.db2.gz WYFRJUONRUKCLA-UAGQMJEPSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@H]4CCC[C@H]43)C2)CC1 ZINC000369375305 277028291 /nfs/dbraw/zinc/02/82/91/277028291.db2.gz WYFRJUONRUKCLA-UAGQMJEPSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)C1 ZINC000375460776 277074017 /nfs/dbraw/zinc/07/40/17/277074017.db2.gz AVHQDYPZJLULIB-PKOBYXMFSA-N 2 2 342.487 1.652 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)C1 ZINC000375460776 277074018 /nfs/dbraw/zinc/07/40/18/277074018.db2.gz AVHQDYPZJLULIB-PKOBYXMFSA-N 2 2 342.487 1.652 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000261860256 277109405 /nfs/dbraw/zinc/10/94/05/277109405.db2.gz RGYCJDBXMSWMIN-SJLPKXTDSA-N 2 2 330.476 1.748 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000081355280 277118047 /nfs/dbraw/zinc/11/80/47/277118047.db2.gz XSKQRKKWHZRBLJ-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000081355280 277118049 /nfs/dbraw/zinc/11/80/49/277118049.db2.gz XSKQRKKWHZRBLJ-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000081355280 277118050 /nfs/dbraw/zinc/11/80/50/277118050.db2.gz XSKQRKKWHZRBLJ-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000081355280 277118051 /nfs/dbraw/zinc/11/80/51/277118051.db2.gz XSKQRKKWHZRBLJ-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000376996262 277212536 /nfs/dbraw/zinc/21/25/36/277212536.db2.gz VNRKLSSGLNJABJ-RTBURBONSA-N 2 2 343.471 1.790 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000376996262 277212537 /nfs/dbraw/zinc/21/25/37/277212537.db2.gz VNRKLSSGLNJABJ-RTBURBONSA-N 2 2 343.471 1.790 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000376996262 277212538 /nfs/dbraw/zinc/21/25/38/277212538.db2.gz VNRKLSSGLNJABJ-RTBURBONSA-N 2 2 343.471 1.790 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000376996262 277212539 /nfs/dbraw/zinc/21/25/39/277212539.db2.gz VNRKLSSGLNJABJ-RTBURBONSA-N 2 2 343.471 1.790 20 0 EDADLP COC(=O)CNC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176916842 277322112 /nfs/dbraw/zinc/32/21/12/277322112.db2.gz ZHVBIFUDLOSSSQ-WBVHZDCISA-N 2 2 347.459 1.261 20 0 EDADLP COC(=O)CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176916842 277322113 /nfs/dbraw/zinc/32/21/13/277322113.db2.gz ZHVBIFUDLOSSSQ-WBVHZDCISA-N 2 2 347.459 1.261 20 0 EDADLP COC(=O)CNC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176916842 277322114 /nfs/dbraw/zinc/32/21/14/277322114.db2.gz ZHVBIFUDLOSSSQ-WBVHZDCISA-N 2 2 347.459 1.261 20 0 EDADLP COC(=O)CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176916842 277322115 /nfs/dbraw/zinc/32/21/15/277322115.db2.gz ZHVBIFUDLOSSSQ-WBVHZDCISA-N 2 2 347.459 1.261 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418726836 278099251 /nfs/dbraw/zinc/09/92/51/278099251.db2.gz MCHAOENKRWSDGD-HZSPNIEDSA-N 2 2 330.423 1.499 20 0 EDADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccccc1N(C)C ZINC000354165691 278257396 /nfs/dbraw/zinc/25/73/96/278257396.db2.gz XKNBZVKWCWHZNO-SFHVURJKSA-N 2 2 348.535 1.793 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3CC[N@@H+](C)C[C@@H]31)CCC2 ZINC000332852839 279004253 /nfs/dbraw/zinc/00/42/53/279004253.db2.gz XQPIOBWRAYOVTN-PMPSAXMXSA-N 2 2 331.464 1.805 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3CC[N@H+](C)C[C@@H]31)CCC2 ZINC000332852839 279004254 /nfs/dbraw/zinc/00/42/54/279004254.db2.gz XQPIOBWRAYOVTN-PMPSAXMXSA-N 2 2 331.464 1.805 20 0 EDADLP CCN(C)C(=O)CC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348123447 279014460 /nfs/dbraw/zinc/01/44/60/279014460.db2.gz RUDYKMDEUOEYBG-HUUCEWRRSA-N 2 2 339.459 1.133 20 0 EDADLP CCN(C)C(=O)CC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348123447 279014461 /nfs/dbraw/zinc/01/44/61/279014461.db2.gz RUDYKMDEUOEYBG-HUUCEWRRSA-N 2 2 339.459 1.133 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000111614378 279198581 /nfs/dbraw/zinc/19/85/81/279198581.db2.gz DJPWYHBQWOQBSG-MRXNPFEDSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000111614378 279198583 /nfs/dbraw/zinc/19/85/83/279198583.db2.gz DJPWYHBQWOQBSG-MRXNPFEDSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@H](C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000174416956 279223661 /nfs/dbraw/zinc/22/36/61/279223661.db2.gz FFVLAJMVGQPBKL-ZWKOTPCHSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000174416956 279223662 /nfs/dbraw/zinc/22/36/62/279223662.db2.gz FFVLAJMVGQPBKL-ZWKOTPCHSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248168115 279312896 /nfs/dbraw/zinc/31/28/96/279312896.db2.gz UEWRFUCBWNQLEN-QWFCFKBJSA-N 3 2 345.535 1.518 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248168115 279312897 /nfs/dbraw/zinc/31/28/97/279312897.db2.gz UEWRFUCBWNQLEN-QWFCFKBJSA-N 3 2 345.535 1.518 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000358144170 279340027 /nfs/dbraw/zinc/34/00/27/279340027.db2.gz UGQATKSEQMYCLE-GJZGRUSLSA-N 2 2 336.484 1.527 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000358144170 279340029 /nfs/dbraw/zinc/34/00/29/279340029.db2.gz UGQATKSEQMYCLE-GJZGRUSLSA-N 2 2 336.484 1.527 20 0 EDADLP CC(C)[C@@H]1C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCCO1 ZINC000496769898 280014394 /nfs/dbraw/zinc/01/43/94/280014394.db2.gz WQDSREUVXKPINQ-FUHWJXTLSA-N 2 2 337.464 1.607 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCCO1 ZINC000496769898 280014395 /nfs/dbraw/zinc/01/43/95/280014395.db2.gz WQDSREUVXKPINQ-FUHWJXTLSA-N 2 2 337.464 1.607 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000287318337 288208751 /nfs/dbraw/zinc/20/87/51/288208751.db2.gz KGLRWCHXUMUAOD-INIZCTEOSA-N 2 2 338.452 1.074 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000287318337 288208752 /nfs/dbraw/zinc/20/87/52/288208752.db2.gz KGLRWCHXUMUAOD-INIZCTEOSA-N 2 2 338.452 1.074 20 0 EDADLP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000287318337 288208754 /nfs/dbraw/zinc/20/87/54/288208754.db2.gz KGLRWCHXUMUAOD-INIZCTEOSA-N 2 2 338.452 1.074 20 0 EDADLP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000287318337 288208755 /nfs/dbraw/zinc/20/87/55/288208755.db2.gz KGLRWCHXUMUAOD-INIZCTEOSA-N 2 2 338.452 1.074 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC[N@@H+]1C[C@@H](C)O ZINC000334073995 280361008 /nfs/dbraw/zinc/36/10/08/280361008.db2.gz JBCAKSVIXPGWLU-GBJTYRQASA-N 2 2 335.452 1.376 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC[N@H+]1C[C@@H](C)O ZINC000334073995 280361009 /nfs/dbraw/zinc/36/10/09/280361009.db2.gz JBCAKSVIXPGWLU-GBJTYRQASA-N 2 2 335.452 1.376 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCCN(CC[NH+](C)C)CC3)cc2n1C ZINC000373529904 282056910 /nfs/dbraw/zinc/05/69/10/282056910.db2.gz OEHUJIHXSVDIQK-UHFFFAOYSA-N 2 2 343.475 1.591 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000290210154 288858524 /nfs/dbraw/zinc/85/85/24/288858524.db2.gz PVSHVAYBTGOTBF-NVXWUHKLSA-N 2 2 332.448 1.169 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc([C@@H](C)O)s2)nc[nH+]1 ZINC000290563104 288917117 /nfs/dbraw/zinc/91/71/17/288917117.db2.gz ZVGZYENQAQEPNK-NEPJUHHUSA-N 2 2 348.476 1.787 20 0 EDADLP O=C1C[N@H+](Cc2cccc(N[C@@H]3CC[NH+]4CCC[C@H]4C3)c2)CCN1 ZINC000291190742 289015334 /nfs/dbraw/zinc/01/53/34/289015334.db2.gz LZLZANGSXIOXNT-MSOLQXFVSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[N@@H+](Cc2cccc(N[C@@H]3CC[NH+]4CCC[C@H]4C3)c2)CCN1 ZINC000291190742 289015336 /nfs/dbraw/zinc/01/53/36/289015336.db2.gz LZLZANGSXIOXNT-MSOLQXFVSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[NH+](Cc2cccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CCN1 ZINC000291190742 289015338 /nfs/dbraw/zinc/01/53/38/289015338.db2.gz LZLZANGSXIOXNT-MSOLQXFVSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[NH+](Cc2cccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)CCN1 ZINC000291190742 289015340 /nfs/dbraw/zinc/01/53/40/289015340.db2.gz LZLZANGSXIOXNT-MSOLQXFVSA-N 2 2 328.460 1.657 20 0 EDADLP C[C@@H]1[C@H](C)SCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369505784 289026121 /nfs/dbraw/zinc/02/61/21/289026121.db2.gz APBSJESGVMXQJT-ILXRZTDVSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]1[C@H](C)SCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369505784 289026124 /nfs/dbraw/zinc/02/61/24/289026124.db2.gz APBSJESGVMXQJT-ILXRZTDVSA-N 2 2 340.537 1.690 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1CC1 ZINC000357831308 289137838 /nfs/dbraw/zinc/13/78/38/289137838.db2.gz PESJZABXNYKEAL-JKSUJKDBSA-N 2 2 349.479 1.623 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000358094139 289195613 /nfs/dbraw/zinc/19/56/13/289195613.db2.gz BXZVBHBPZYBEAS-INIZCTEOSA-N 2 2 331.460 1.543 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1c(F)cccc1F ZINC000417662451 289281982 /nfs/dbraw/zinc/28/19/82/289281982.db2.gz RVZVZNUQHGTLCN-WMLDXEAASA-N 2 2 340.418 1.948 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156781378 289324478 /nfs/dbraw/zinc/32/44/78/289324478.db2.gz QKWFENIVXFVYAX-BRSBDYLESA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156781378 289324480 /nfs/dbraw/zinc/32/44/80/289324480.db2.gz QKWFENIVXFVYAX-BRSBDYLESA-N 2 2 337.508 1.819 20 0 EDADLP COC[C@H]1CCN(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000337766511 293212329 /nfs/dbraw/zinc/21/23/29/293212329.db2.gz MWQQNAZUSDXAOE-CVEARBPZSA-N 2 2 338.496 1.175 20 0 EDADLP COC[C@H]1CCN(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000337766511 293212331 /nfs/dbraw/zinc/21/23/31/293212331.db2.gz MWQQNAZUSDXAOE-CVEARBPZSA-N 2 2 338.496 1.175 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1([S@](C)=O)CCC1 ZINC000366672317 297020239 /nfs/dbraw/zinc/02/02/39/297020239.db2.gz WAFTWZASEYPEED-YDGQEPMXSA-N 2 2 328.522 1.767 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1([S@](C)=O)CCC1 ZINC000366672317 297020241 /nfs/dbraw/zinc/02/02/41/297020241.db2.gz WAFTWZASEYPEED-YDGQEPMXSA-N 2 2 328.522 1.767 20 0 EDADLP COc1c(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377706921 447305987 /nfs/dbraw/zinc/30/59/87/447305987.db2.gz UQTBWXSFGOQFEB-MRXNPFEDSA-N 2 2 335.496 1.339 20 0 EDADLP COc1c(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377706921 447305996 /nfs/dbraw/zinc/30/59/96/447305996.db2.gz UQTBWXSFGOQFEB-MRXNPFEDSA-N 2 2 335.496 1.339 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2=O)cn1 ZINC000158968187 294248046 /nfs/dbraw/zinc/24/80/46/294248046.db2.gz FEIUWYQFGLGXEZ-OIISXLGYSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2=O)cn1 ZINC000158968187 294248050 /nfs/dbraw/zinc/24/80/50/294248050.db2.gz FEIUWYQFGLGXEZ-OIISXLGYSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)cn1 ZINC000158968187 294248055 /nfs/dbraw/zinc/24/80/55/294248055.db2.gz FEIUWYQFGLGXEZ-OIISXLGYSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2=O)cn1 ZINC000158968187 294248058 /nfs/dbraw/zinc/24/80/58/294248058.db2.gz FEIUWYQFGLGXEZ-OIISXLGYSA-N 2 2 331.464 1.332 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)CC1 ZINC000422010974 447306131 /nfs/dbraw/zinc/30/61/31/447306131.db2.gz CKWAOASHXBYZSQ-WMZOPIPTSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)CC1 ZINC000422010974 447306137 /nfs/dbraw/zinc/30/61/37/447306137.db2.gz CKWAOASHXBYZSQ-WMZOPIPTSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000422010974 447306141 /nfs/dbraw/zinc/30/61/41/447306141.db2.gz CKWAOASHXBYZSQ-WMZOPIPTSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000422010974 447306150 /nfs/dbraw/zinc/30/61/50/447306150.db2.gz CKWAOASHXBYZSQ-WMZOPIPTSA-N 3 2 336.524 1.203 20 0 EDADLP C[C@H]1CCC[C@](CNC(=O)C2([NH+]3CCOCC3)CCC2)([NH+](C)C)C1 ZINC000367535650 299908683 /nfs/dbraw/zinc/90/86/83/299908683.db2.gz KFXXUAMIFYMISR-WMZOPIPTSA-N 2 2 337.508 1.868 20 0 EDADLP [NH3+]C1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCCC1 ZINC000237921496 295203409 /nfs/dbraw/zinc/20/34/09/295203409.db2.gz TVVQVUAKRSSYJC-QGZVFWFLSA-N 2 2 331.460 1.838 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247082010 298123805 /nfs/dbraw/zinc/12/38/05/298123805.db2.gz UFUXNHFSJMRTNZ-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247082010 298123807 /nfs/dbraw/zinc/12/38/07/298123807.db2.gz UFUXNHFSJMRTNZ-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247082010 298123809 /nfs/dbraw/zinc/12/38/09/298123809.db2.gz UFUXNHFSJMRTNZ-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247082010 298123811 /nfs/dbraw/zinc/12/38/11/298123811.db2.gz UFUXNHFSJMRTNZ-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)CC1 ZINC000422026515 447314595 /nfs/dbraw/zinc/31/45/95/447314595.db2.gz UWRJITITXYSABJ-WMZOPIPTSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)CC1 ZINC000422026515 447314601 /nfs/dbraw/zinc/31/46/01/447314601.db2.gz UWRJITITXYSABJ-WMZOPIPTSA-N 2 2 337.508 1.820 20 0 EDADLP CC(=O)NCC[NH+](Cc1ccc(C)s1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660488366 453342974 /nfs/dbraw/zinc/34/29/74/453342974.db2.gz SNHMRGKYOAZMLS-MRXNPFEDSA-N 2 2 341.521 1.696 20 0 EDADLP CC(=O)NCC[NH+](Cc1ccc(C)s1)C[C@H](O)C[N@H+](C)C(C)C ZINC000660488366 453342984 /nfs/dbraw/zinc/34/29/84/453342984.db2.gz SNHMRGKYOAZMLS-MRXNPFEDSA-N 2 2 341.521 1.696 20 0 EDADLP CC(=O)NCC[N@H+](Cc1ccc(C)s1)C[C@H](O)C[NH+](C)C(C)C ZINC000660488366 453342992 /nfs/dbraw/zinc/34/29/92/453342992.db2.gz SNHMRGKYOAZMLS-MRXNPFEDSA-N 2 2 341.521 1.696 20 0 EDADLP CC(=O)NCC[N@@H+](Cc1ccc(C)s1)C[C@H](O)C[NH+](C)C(C)C ZINC000660488366 453343004 /nfs/dbraw/zinc/34/30/04/453343004.db2.gz SNHMRGKYOAZMLS-MRXNPFEDSA-N 2 2 341.521 1.696 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000294743683 303141826 /nfs/dbraw/zinc/14/18/26/303141826.db2.gz YKDCOXUNGDHZCV-CPUCHLNUSA-N 2 2 335.448 1.840 20 0 EDADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000294812826 303148188 /nfs/dbraw/zinc/14/81/88/303148188.db2.gz WWOWBKLNWMLDAJ-CCNLRDMRSA-N 2 2 345.487 1.996 20 0 EDADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000294812826 303148191 /nfs/dbraw/zinc/14/81/91/303148191.db2.gz WWOWBKLNWMLDAJ-CCNLRDMRSA-N 2 2 345.487 1.996 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295045070 303166742 /nfs/dbraw/zinc/16/67/42/303166742.db2.gz FDWDCKPZBSFFNX-WBVHZDCISA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000295045070 303166743 /nfs/dbraw/zinc/16/67/43/303166743.db2.gz FDWDCKPZBSFFNX-WBVHZDCISA-N 2 2 349.475 1.849 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H](C)[NH2+]C3CC3)CC2)cc(OC)c1 ZINC000295308950 303202759 /nfs/dbraw/zinc/20/27/59/303202759.db2.gz YHKNWKQIDRFIJH-AWEZNQCLSA-N 2 2 347.459 1.489 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000295689572 303252750 /nfs/dbraw/zinc/25/27/50/303252750.db2.gz DEOMSWRXUBOPBY-HUUCEWRRSA-N 2 2 337.464 1.777 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000295689572 303252753 /nfs/dbraw/zinc/25/27/53/303252753.db2.gz DEOMSWRXUBOPBY-HUUCEWRRSA-N 2 2 337.464 1.777 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2C)CC[N@@H+]1CCOC ZINC000295700839 303254831 /nfs/dbraw/zinc/25/48/31/303254831.db2.gz MJJRQKBKWGNCIX-FUHWJXTLSA-N 2 2 333.476 1.954 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2C)CC[N@H+]1CCOC ZINC000295700839 303254832 /nfs/dbraw/zinc/25/48/32/303254832.db2.gz MJJRQKBKWGNCIX-FUHWJXTLSA-N 2 2 333.476 1.954 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000296481310 303319600 /nfs/dbraw/zinc/31/96/00/303319600.db2.gz MHCKBRBTTJBREC-INIZCTEOSA-N 2 2 343.475 1.976 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)cn2c1 ZINC000297316239 303384994 /nfs/dbraw/zinc/38/49/94/303384994.db2.gz IPWHCPAXGUNQQX-OAHLLOKOSA-N 2 2 345.447 1.289 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372876374 447331872 /nfs/dbraw/zinc/33/18/72/447331872.db2.gz HZOKISRICOGZGS-AWEZNQCLSA-N 2 2 331.464 1.394 20 0 EDADLP CCCN(C(=O)[C@H](CC)[NH+]1CCO[C@H](CC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000648995869 453464248 /nfs/dbraw/zinc/46/42/48/453464248.db2.gz HTVHPYBIAZYNAT-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(C(=O)[C@H](CC)[NH+]1CCO[C@H](CC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000648995869 453464258 /nfs/dbraw/zinc/46/42/58/453464258.db2.gz HTVHPYBIAZYNAT-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(C(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1)[C@@H]1CC[NH+](C)C1 ZINC000648995869 453464269 /nfs/dbraw/zinc/46/42/69/453464269.db2.gz HTVHPYBIAZYNAT-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(C(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1)[C@@H]1CC[NH+](C)C1 ZINC000648995869 453464276 /nfs/dbraw/zinc/46/42/76/453464276.db2.gz HTVHPYBIAZYNAT-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000423101251 304886057 /nfs/dbraw/zinc/88/60/57/304886057.db2.gz IKDIHRMJNMWQGO-YCPHGPKFSA-N 2 2 340.489 1.898 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000423101245 304886092 /nfs/dbraw/zinc/88/60/92/304886092.db2.gz IKDIHRMJNMWQGO-DZKIICNBSA-N 2 2 340.489 1.898 20 0 EDADLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423105777 304886322 /nfs/dbraw/zinc/88/63/22/304886322.db2.gz CKWUUIZQBRMBMO-GWCFXTLKSA-N 2 2 349.859 1.488 20 0 EDADLP CC(C)([NH3+])C[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423286486 304891190 /nfs/dbraw/zinc/89/11/90/304891190.db2.gz HPSIDZZYHPYCTK-NSHDSACASA-N 2 2 347.278 1.995 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000423625385 304901812 /nfs/dbraw/zinc/90/18/12/304901812.db2.gz CZGAVOWGQDTUDR-UHFFFAOYSA-N 2 2 339.430 1.994 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1CC[NH2+]CC1 ZINC000423723733 304905878 /nfs/dbraw/zinc/90/58/78/304905878.db2.gz HFPOGFPRRMQRGB-MRXNPFEDSA-N 2 2 330.476 1.752 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923197 304917203 /nfs/dbraw/zinc/91/72/03/304917203.db2.gz BQELKBDNHJSWIL-CABCVRRESA-N 2 2 348.447 1.025 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000423934801 304919383 /nfs/dbraw/zinc/91/93/83/304919383.db2.gz ZZMBEDUDOZOKHI-QWQRMKEZSA-N 2 2 330.432 1.127 20 0 EDADLP O=C([C@H]1CCC[NH2+]C1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423934743 304919467 /nfs/dbraw/zinc/91/94/67/304919467.db2.gz ZQOFFWYXSMVQCL-HOTGVXAUSA-N 2 2 344.459 1.661 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428035170 305004655 /nfs/dbraw/zinc/00/46/55/305004655.db2.gz PCNBVOCRXVTXMX-RVSPLBMKSA-N 2 2 330.432 1.656 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428035170 305004656 /nfs/dbraw/zinc/00/46/56/305004656.db2.gz PCNBVOCRXVTXMX-RVSPLBMKSA-N 2 2 330.432 1.656 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F)[NH+]1CCOCC1 ZINC000428713658 305015470 /nfs/dbraw/zinc/01/54/70/305015470.db2.gz SVZUGDORZOWLOI-CJNGLKHVSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F)[NH+]1CCOCC1 ZINC000428713658 305015471 /nfs/dbraw/zinc/01/54/71/305015471.db2.gz SVZUGDORZOWLOI-CJNGLKHVSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F)[NH+]1CCOCC1 ZINC000428713660 305015515 /nfs/dbraw/zinc/01/55/15/305015515.db2.gz SVZUGDORZOWLOI-XJKSGUPXSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F)[NH+]1CCOCC1 ZINC000428713660 305015516 /nfs/dbraw/zinc/01/55/16/305015516.db2.gz SVZUGDORZOWLOI-XJKSGUPXSA-N 2 2 345.434 1.191 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CCO1 ZINC000429457072 305030167 /nfs/dbraw/zinc/03/01/67/305030167.db2.gz UIOIOIIDQAVGAH-DLBZAZTESA-N 2 2 341.496 1.007 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CCO1 ZINC000429457072 305030168 /nfs/dbraw/zinc/03/01/68/305030168.db2.gz UIOIOIIDQAVGAH-DLBZAZTESA-N 2 2 341.496 1.007 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000430573847 305056505 /nfs/dbraw/zinc/05/65/05/305056505.db2.gz RLHYNTRGKJFPRB-KRWDZBQOSA-N 2 2 334.489 1.918 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000430575019 305056827 /nfs/dbraw/zinc/05/68/27/305056827.db2.gz UMCGKHIFZQTIFV-KFWWJZLASA-N 2 2 326.485 1.696 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000430575019 305056828 /nfs/dbraw/zinc/05/68/28/305056828.db2.gz UMCGKHIFZQTIFV-KFWWJZLASA-N 2 2 326.485 1.696 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCCOc2c(C)cccc2C)C1 ZINC000430606701 305058431 /nfs/dbraw/zinc/05/84/31/305058431.db2.gz AEHNYIRSUUCWBD-QGZVFWFLSA-N 2 2 333.476 1.730 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCCOc2c(C)cccc2C)C1 ZINC000430606701 305058432 /nfs/dbraw/zinc/05/84/32/305058432.db2.gz AEHNYIRSUUCWBD-QGZVFWFLSA-N 2 2 333.476 1.730 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@H]1[NH3+] ZINC000430915627 305067742 /nfs/dbraw/zinc/06/77/42/305067742.db2.gz DNRMCFJIVUBKLU-QWHCGFSZSA-N 2 2 332.473 1.624 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@H]1[NH3+] ZINC000430915627 305067743 /nfs/dbraw/zinc/06/77/43/305067743.db2.gz DNRMCFJIVUBKLU-QWHCGFSZSA-N 2 2 332.473 1.624 20 0 EDADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000430918723 305067922 /nfs/dbraw/zinc/06/79/22/305067922.db2.gz IJIDEAFBYAWVQO-MRXNPFEDSA-N 2 2 330.476 1.408 20 0 EDADLP CCCN(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[NH2+]C1 ZINC000430920575 305068108 /nfs/dbraw/zinc/06/81/08/305068108.db2.gz VULOMHYIPBGXGJ-QGZVFWFLSA-N 2 2 345.491 1.194 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC[C@H]1[NH3+] ZINC000430974374 305071761 /nfs/dbraw/zinc/07/17/61/305071761.db2.gz ZALZQBXLYFEENR-FUHWJXTLSA-N 2 2 345.487 1.520 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC[C@H]1[NH3+] ZINC000430974374 305071762 /nfs/dbraw/zinc/07/17/62/305071762.db2.gz ZALZQBXLYFEENR-FUHWJXTLSA-N 2 2 345.487 1.520 20 0 EDADLP C[C@H](CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000434384104 305121330 /nfs/dbraw/zinc/12/13/30/305121330.db2.gz MYQANMJHMBVSHG-SJORKVTESA-N 2 2 340.512 1.613 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434456031 305123069 /nfs/dbraw/zinc/12/30/69/305123069.db2.gz HLAUTWHRQAANSR-UHFFFAOYSA-N 2 2 338.496 1.369 20 0 EDADLP CCOC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434499166 305123602 /nfs/dbraw/zinc/12/36/02/305123602.db2.gz WYKRVWRTSIPRDJ-GJZGRUSLSA-N 2 2 327.494 1.603 20 0 EDADLP CCOC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434499166 305123603 /nfs/dbraw/zinc/12/36/03/305123603.db2.gz WYKRVWRTSIPRDJ-GJZGRUSLSA-N 2 2 327.494 1.603 20 0 EDADLP CCOC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000434499166 305123604 /nfs/dbraw/zinc/12/36/04/305123604.db2.gz WYKRVWRTSIPRDJ-GJZGRUSLSA-N 2 2 327.494 1.603 20 0 EDADLP CCOC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000434499166 305123605 /nfs/dbraw/zinc/12/36/05/305123605.db2.gz WYKRVWRTSIPRDJ-GJZGRUSLSA-N 2 2 327.494 1.603 20 0 EDADLP COCCCCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435566187 305142658 /nfs/dbraw/zinc/14/26/58/305142658.db2.gz AAHHJRPSRRIUSS-HNNXBMFYSA-N 2 2 334.464 1.708 20 0 EDADLP CCc1nc(CN(Cc2[nH+]ccn2CC)[C@@H]2CC23CC[NH2+]CC3)no1 ZINC000435682330 305145270 /nfs/dbraw/zinc/14/52/70/305145270.db2.gz MBKJNBBGIOXIOB-CQSZACIVSA-N 2 2 344.463 1.993 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000435734192 305146670 /nfs/dbraw/zinc/14/66/70/305146670.db2.gz WHDVBOZUHDDCHL-CZUORRHYSA-N 2 2 343.468 1.376 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000435734192 305146671 /nfs/dbraw/zinc/14/66/71/305146671.db2.gz WHDVBOZUHDDCHL-CZUORRHYSA-N 2 2 343.468 1.376 20 0 EDADLP C[C@H]1[NH2+]CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1C ZINC000436063205 305151970 /nfs/dbraw/zinc/15/19/70/305151970.db2.gz XOFVKXMIIRCMHK-HUUCEWRRSA-N 2 2 336.505 1.075 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000438108960 305181395 /nfs/dbraw/zinc/18/13/95/305181395.db2.gz ZIIBQPSFFWQAAV-CZUORRHYSA-N 2 2 336.480 1.978 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000438108960 305181396 /nfs/dbraw/zinc/18/13/96/305181396.db2.gz ZIIBQPSFFWQAAV-CZUORRHYSA-N 2 2 336.480 1.978 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000438108960 305181397 /nfs/dbraw/zinc/18/13/97/305181397.db2.gz ZIIBQPSFFWQAAV-CZUORRHYSA-N 2 2 336.480 1.978 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000438108960 305181398 /nfs/dbraw/zinc/18/13/98/305181398.db2.gz ZIIBQPSFFWQAAV-CZUORRHYSA-N 2 2 336.480 1.978 20 0 EDADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000439068424 305193469 /nfs/dbraw/zinc/19/34/69/305193469.db2.gz IHMKOUDRANCIHY-CZUORRHYSA-N 2 2 335.448 1.761 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cnc(C(C)C)nc2)CC1 ZINC000440487855 305207817 /nfs/dbraw/zinc/20/78/17/305207817.db2.gz PNBHXMJZPRBSIH-UHFFFAOYSA-N 2 2 333.480 1.632 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cnc(C(C)C)nc2)CC1 ZINC000440487855 305207818 /nfs/dbraw/zinc/20/78/18/305207818.db2.gz PNBHXMJZPRBSIH-UHFFFAOYSA-N 2 2 333.480 1.632 20 0 EDADLP [NH3+]Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000444265554 305244901 /nfs/dbraw/zinc/24/49/01/305244901.db2.gz APYLCLPBQOZFOB-UHFFFAOYSA-N 3 2 343.431 1.075 20 0 EDADLP CS[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000445596948 305259210 /nfs/dbraw/zinc/25/92/10/305259210.db2.gz PXDXZMCCUFZFNT-LSDHHAIUSA-N 2 2 349.504 1.329 20 0 EDADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000447561645 305282314 /nfs/dbraw/zinc/28/23/14/305282314.db2.gz IWFYSXAURUTGMG-STQMWFEESA-N 2 2 337.420 1.304 20 0 EDADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000447561645 305282315 /nfs/dbraw/zinc/28/23/15/305282315.db2.gz IWFYSXAURUTGMG-STQMWFEESA-N 2 2 337.420 1.304 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000449173265 305308623 /nfs/dbraw/zinc/30/86/23/305308623.db2.gz WYYUWQFADFHNHT-ZWKOTPCHSA-N 2 2 343.475 1.579 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000449173265 305308624 /nfs/dbraw/zinc/30/86/24/305308624.db2.gz WYYUWQFADFHNHT-ZWKOTPCHSA-N 2 2 343.475 1.579 20 0 EDADLP CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000451247709 305335160 /nfs/dbraw/zinc/33/51/60/305335160.db2.gz AAUDMGVRPAOCAL-WBVHZDCISA-N 2 2 335.448 1.017 20 0 EDADLP CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000451247709 305335161 /nfs/dbraw/zinc/33/51/61/305335161.db2.gz AAUDMGVRPAOCAL-WBVHZDCISA-N 2 2 335.448 1.017 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1)c1ccccc1 ZINC000451436340 305345899 /nfs/dbraw/zinc/34/58/99/305345899.db2.gz RUTWXBQSIOASCO-WMLDXEAASA-N 2 2 341.402 1.107 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1)c1ccccc1 ZINC000451436340 305345900 /nfs/dbraw/zinc/34/59/00/305345900.db2.gz RUTWXBQSIOASCO-WMLDXEAASA-N 2 2 341.402 1.107 20 0 EDADLP CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000451624997 305357044 /nfs/dbraw/zinc/35/70/44/305357044.db2.gz SLARKSGALRXFSI-QZTJIDSGSA-N 2 2 347.459 1.614 20 0 EDADLP CC1(C)C[C@H](O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000451813846 305370655 /nfs/dbraw/zinc/37/06/55/305370655.db2.gz STSYZDZAAFCWJP-MRXNPFEDSA-N 2 2 349.475 1.407 20 0 EDADLP CC1(C)C[C@H](O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000451813846 305370656 /nfs/dbraw/zinc/37/06/56/305370656.db2.gz STSYZDZAAFCWJP-MRXNPFEDSA-N 2 2 349.475 1.407 20 0 EDADLP Cc1ccc(C[N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1C ZINC000452046107 305379880 /nfs/dbraw/zinc/37/98/80/305379880.db2.gz VGGDAQAKFUKOAL-UHFFFAOYSA-N 2 2 347.503 1.962 20 0 EDADLP Cc1ccc(C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1C ZINC000452046107 305379881 /nfs/dbraw/zinc/37/98/81/305379881.db2.gz VGGDAQAKFUKOAL-UHFFFAOYSA-N 2 2 347.503 1.962 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000455467243 305442551 /nfs/dbraw/zinc/44/25/51/305442551.db2.gz MOMWYLUOFSVGSZ-HNNXBMFYSA-N 2 2 349.479 1.718 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000457431080 305489248 /nfs/dbraw/zinc/48/92/48/305489248.db2.gz CEDVWQYRKKQNKR-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCOC(=O)CCCC[NH+]1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000377786108 447356678 /nfs/dbraw/zinc/35/66/78/447356678.db2.gz PIMPNXDODUCLON-KRWDZBQOSA-N 2 2 341.496 1.058 20 0 EDADLP CCOC(=O)CCCC[NH+]1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000377786108 447356682 /nfs/dbraw/zinc/35/66/82/447356682.db2.gz PIMPNXDODUCLON-KRWDZBQOSA-N 2 2 341.496 1.058 20 0 EDADLP Cc1ccc(CN2CC[C@@H]([NH2+]Cc3c[nH+]c(N(C)C)n3C)C2=O)cc1 ZINC000419694871 447354553 /nfs/dbraw/zinc/35/45/53/447354553.db2.gz LSTVUQXHLIMENU-QGZVFWFLSA-N 2 2 341.459 1.685 20 0 EDADLP CCOC(=O)c1csc(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)n1 ZINC000419702004 447358879 /nfs/dbraw/zinc/35/88/79/447358879.db2.gz ZTGIZOSRWALTAQ-UHFFFAOYSA-N 2 2 337.449 1.452 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C2)CC1 ZINC000532095322 305973642 /nfs/dbraw/zinc/97/36/42/305973642.db2.gz PRRGDEIJDBOTCK-QGZVFWFLSA-N 2 2 348.495 1.083 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H]1c1ccccc1 ZINC000536266632 306019503 /nfs/dbraw/zinc/01/95/03/306019503.db2.gz KJZHLXLDZXWMFX-QAPCUYQASA-N 2 2 348.410 1.838 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H]1c1ccccc1 ZINC000536266632 306019504 /nfs/dbraw/zinc/01/95/04/306019504.db2.gz KJZHLXLDZXWMFX-QAPCUYQASA-N 2 2 348.410 1.838 20 0 EDADLP O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369724 306020402 /nfs/dbraw/zinc/02/04/02/306020402.db2.gz UQSKDDCDIMMRHO-IRXDYDNUSA-N 2 2 335.448 1.514 20 0 EDADLP Cc1cnc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000540245203 306039151 /nfs/dbraw/zinc/03/91/51/306039151.db2.gz NOKHOGKHVRCTQS-IRXDYDNUSA-N 2 2 348.491 1.875 20 0 EDADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H]1COc2ccccc2O1 ZINC000555880223 306206845 /nfs/dbraw/zinc/20/68/45/306206845.db2.gz IPSHPZCYWWFRSY-CVEARBPZSA-N 2 2 338.448 1.087 20 0 EDADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H]1COc2ccccc2O1 ZINC000555880223 306206846 /nfs/dbraw/zinc/20/68/46/306206846.db2.gz IPSHPZCYWWFRSY-CVEARBPZSA-N 2 2 338.448 1.087 20 0 EDADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@H]1COc2ccccc2O1 ZINC000555880223 306206847 /nfs/dbraw/zinc/20/68/47/306206847.db2.gz IPSHPZCYWWFRSY-CVEARBPZSA-N 2 2 338.448 1.087 20 0 EDADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@H]1COc2ccccc2O1 ZINC000555880223 306206848 /nfs/dbraw/zinc/20/68/48/306206848.db2.gz IPSHPZCYWWFRSY-CVEARBPZSA-N 2 2 338.448 1.087 20 0 EDADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414977452 447381639 /nfs/dbraw/zinc/38/16/39/447381639.db2.gz PVDKNIGWSSHXMT-HNNXBMFYSA-N 2 2 349.429 1.761 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)CCCO1 ZINC000415112939 447390516 /nfs/dbraw/zinc/39/05/16/447390516.db2.gz SWHPESXFVYFZLE-QGZVFWFLSA-N 2 2 347.459 1.141 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)CCCO1 ZINC000415112939 447390518 /nfs/dbraw/zinc/39/05/18/447390518.db2.gz SWHPESXFVYFZLE-QGZVFWFLSA-N 2 2 347.459 1.141 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000045779281 441034240 /nfs/dbraw/zinc/03/42/40/441034240.db2.gz QXXDNQSNUVXCTL-UHFFFAOYSA-N 2 2 345.491 1.146 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCNc1cccc[nH+]1 ZINC000057204990 441098595 /nfs/dbraw/zinc/09/85/95/441098595.db2.gz LYNMHUAIWMQXET-KRWDZBQOSA-N 2 2 341.459 1.966 20 0 EDADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000011754661 441124345 /nfs/dbraw/zinc/12/43/45/441124345.db2.gz ZPUNKRCKXQUPCX-KRWDZBQOSA-N 2 2 349.438 1.782 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC000046091228 441081477 /nfs/dbraw/zinc/08/14/77/441081477.db2.gz WPNQZBFBBQBLEV-UHFFFAOYSA-N 2 2 345.487 1.344 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000080621700 441184743 /nfs/dbraw/zinc/18/47/43/441184743.db2.gz DZRMUMFNJXURQM-KRWDZBQOSA-N 2 2 327.432 1.799 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000080621700 441184748 /nfs/dbraw/zinc/18/47/48/441184748.db2.gz DZRMUMFNJXURQM-KRWDZBQOSA-N 2 2 327.432 1.799 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000105082215 441231466 /nfs/dbraw/zinc/23/14/66/441231466.db2.gz LUGVQWMFVZFMIY-QGZVFWFLSA-N 2 2 346.475 1.788 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000105115013 441235075 /nfs/dbraw/zinc/23/50/75/441235075.db2.gz HIGMUYAIDGXIRA-UHFFFAOYSA-N 2 2 349.479 1.401 20 0 EDADLP CC(C)[C@H](CNC(=O)NCCNc1cccc[nH+]1)[NH+]1CCOCC1 ZINC000047500788 441197521 /nfs/dbraw/zinc/19/75/21/441197521.db2.gz USAXSYRBWIGQQQ-HNNXBMFYSA-N 2 2 335.452 1.150 20 0 EDADLP O=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000060906450 441261824 /nfs/dbraw/zinc/26/18/24/441261824.db2.gz OVECWJIJTRHAFZ-UHFFFAOYSA-N 2 2 347.463 1.203 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048148509 441265119 /nfs/dbraw/zinc/26/51/19/441265119.db2.gz ABWOTIVYNWBNHB-OAHLLOKOSA-N 2 2 343.431 1.926 20 0 EDADLP C[C@@H]1C[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1C ZINC000072873236 441272067 /nfs/dbraw/zinc/27/20/67/441272067.db2.gz YXBMTSRRHHDJLI-IAGOWNOFSA-N 2 2 345.487 1.723 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000072968491 441280529 /nfs/dbraw/zinc/28/05/29/441280529.db2.gz RDLSJLYGXZZZKI-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000072968491 441280541 /nfs/dbraw/zinc/28/05/41/441280541.db2.gz RDLSJLYGXZZZKI-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000105215399 441242794 /nfs/dbraw/zinc/24/27/94/441242794.db2.gz QFWGHDBXWYKCNA-UHFFFAOYSA-N 2 2 326.485 1.082 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000073582605 441328165 /nfs/dbraw/zinc/32/81/65/441328165.db2.gz CLVSXYHGCVIHCF-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000073582605 441328170 /nfs/dbraw/zinc/32/81/70/441328170.db2.gz CLVSXYHGCVIHCF-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000073582605 441328174 /nfs/dbraw/zinc/32/81/74/441328174.db2.gz CLVSXYHGCVIHCF-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000073582605 441328178 /nfs/dbraw/zinc/32/81/78/441328178.db2.gz CLVSXYHGCVIHCF-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)c3c(F)cccc3F)C2)CC1 ZINC000107370934 441414804 /nfs/dbraw/zinc/41/48/04/441414804.db2.gz XRQKJVQRKHYQLY-PBHICJAKSA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)c3c(F)cccc3F)C2)CC1 ZINC000107370934 441414806 /nfs/dbraw/zinc/41/48/06/441414806.db2.gz XRQKJVQRKHYQLY-PBHICJAKSA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000027384462 441401696 /nfs/dbraw/zinc/40/16/96/441401696.db2.gz VIJJLZUPHMAMOA-UHFFFAOYSA-N 2 2 344.503 1.718 20 0 EDADLP O=C(C[NH+]1CCCCC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000029693571 441469845 /nfs/dbraw/zinc/46/98/45/441469845.db2.gz GQAITAYBSCGHJG-SFHVURJKSA-N 2 2 331.460 1.490 20 0 EDADLP O=C(C[NH+]1CCCCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000029693571 441469850 /nfs/dbraw/zinc/46/98/50/441469850.db2.gz GQAITAYBSCGHJG-SFHVURJKSA-N 2 2 331.460 1.490 20 0 EDADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000029807520 441474569 /nfs/dbraw/zinc/47/45/69/441474569.db2.gz NFNBEKYNXXKKJP-GOSISDBHSA-N 2 2 345.487 1.833 20 0 EDADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000029807520 441474574 /nfs/dbraw/zinc/47/45/74/441474574.db2.gz NFNBEKYNXXKKJP-GOSISDBHSA-N 2 2 345.487 1.833 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000052875801 441484341 /nfs/dbraw/zinc/48/43/41/441484341.db2.gz GHRKPCTXJSRGRF-AEFFLSMTSA-N 2 2 331.460 1.349 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000052875801 441484345 /nfs/dbraw/zinc/48/43/45/441484345.db2.gz GHRKPCTXJSRGRF-AEFFLSMTSA-N 2 2 331.460 1.349 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000075346697 441518741 /nfs/dbraw/zinc/51/87/41/441518741.db2.gz QVQBARDSZFYIDS-QGZVFWFLSA-N 2 2 345.491 1.146 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)C1 ZINC000075894062 441565911 /nfs/dbraw/zinc/56/59/11/441565911.db2.gz IHPLGKHFMVTBEB-HRCADAONSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)C1 ZINC000075894062 441565916 /nfs/dbraw/zinc/56/59/16/441565916.db2.gz IHPLGKHFMVTBEB-HRCADAONSA-N 2 2 343.537 1.285 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000054609768 441587371 /nfs/dbraw/zinc/58/73/71/441587371.db2.gz JJHMTMRDVIFGMB-ZDUSSCGKSA-N 2 2 339.403 1.660 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000076074966 441593935 /nfs/dbraw/zinc/59/39/35/441593935.db2.gz FURLXPJDWCDNHI-NWDGAFQWSA-N 2 2 345.369 1.871 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000076074966 441593940 /nfs/dbraw/zinc/59/39/40/441593940.db2.gz FURLXPJDWCDNHI-NWDGAFQWSA-N 2 2 345.369 1.871 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000076083680 441594715 /nfs/dbraw/zinc/59/47/15/441594715.db2.gz PSJBOCWIKAJBMN-HNNXBMFYSA-N 2 2 349.479 1.800 20 0 EDADLP C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000089931402 441597885 /nfs/dbraw/zinc/59/78/85/441597885.db2.gz CLLWEBFBIVHJMN-IEBWSBKVSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000089931402 441597887 /nfs/dbraw/zinc/59/78/87/441597887.db2.gz CLLWEBFBIVHJMN-IEBWSBKVSA-N 2 2 345.487 1.424 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000113407827 441606345 /nfs/dbraw/zinc/60/63/45/441606345.db2.gz RJJSFTAFIDOVGU-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000113407827 441606349 /nfs/dbraw/zinc/60/63/49/441606349.db2.gz RJJSFTAFIDOVGU-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CO[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076344642 441634146 /nfs/dbraw/zinc/63/41/46/441634146.db2.gz QTEOGHMFAXAGAW-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP CO[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076344642 441634151 /nfs/dbraw/zinc/63/41/51/441634151.db2.gz QTEOGHMFAXAGAW-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000173398421 441734648 /nfs/dbraw/zinc/73/46/48/441734648.db2.gz XGFLBASYKUHEAF-UHFFFAOYSA-N 2 2 337.468 1.449 20 0 EDADLP COCCCNC(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121621188 441744931 /nfs/dbraw/zinc/74/49/31/441744931.db2.gz GCCMAVQSXOLRRM-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP COCCCNC(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121621188 441744937 /nfs/dbraw/zinc/74/49/37/441744937.db2.gz GCCMAVQSXOLRRM-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP COCCCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158687276 441755449 /nfs/dbraw/zinc/75/54/49/441755449.db2.gz JAPGMJLBCXDJTI-UHFFFAOYSA-N 2 2 349.479 1.252 20 0 EDADLP CCc1[nH+]ccn1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000158329976 441724932 /nfs/dbraw/zinc/72/49/32/441724932.db2.gz CYYUBWSCSMBFRR-UHFFFAOYSA-N 2 2 334.464 1.597 20 0 EDADLP CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000121797235 441783448 /nfs/dbraw/zinc/78/34/48/441783448.db2.gz ZBEYDNHXDSKVTC-OAHLLOKOSA-N 2 2 341.459 1.733 20 0 EDADLP CC[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000121866241 441798802 /nfs/dbraw/zinc/79/88/02/441798802.db2.gz LSLNDFIXDGHXMB-GASCZTMLSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000121866241 441798806 /nfs/dbraw/zinc/79/88/06/441798806.db2.gz LSLNDFIXDGHXMB-GASCZTMLSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068515249 441812019 /nfs/dbraw/zinc/81/20/19/441812019.db2.gz KGCQTYMDEGALDU-INIZCTEOSA-N 2 2 333.476 1.979 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000068598350 441829965 /nfs/dbraw/zinc/82/99/65/441829965.db2.gz ZPBDAHVNWCMELG-FUHWJXTLSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000068598350 441829970 /nfs/dbraw/zinc/82/99/70/441829970.db2.gz ZPBDAHVNWCMELG-FUHWJXTLSA-N 2 2 348.491 1.527 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCCn1cc[nH+]c1 ZINC000043310578 441833599 /nfs/dbraw/zinc/83/35/99/441833599.db2.gz CVAWTBSHULNCOT-UHFFFAOYSA-N 2 2 338.415 1.670 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000077759425 441850020 /nfs/dbraw/zinc/85/00/20/441850020.db2.gz IMVVPMTXAXLFAR-INIZCTEOSA-N 2 2 327.432 1.757 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000077759425 441850022 /nfs/dbraw/zinc/85/00/22/441850022.db2.gz IMVVPMTXAXLFAR-INIZCTEOSA-N 2 2 327.432 1.757 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000173879195 441853928 /nfs/dbraw/zinc/85/39/28/441853928.db2.gz WWKWIBKXYNIJQK-UHFFFAOYSA-N 2 2 346.475 1.655 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000078331177 441919207 /nfs/dbraw/zinc/91/92/07/441919207.db2.gz CBHKQRSVDMLPIQ-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CCSCC[C@@H](C)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000174031864 441880422 /nfs/dbraw/zinc/88/04/22/441880422.db2.gz NSKNXDVTHWVJTJ-OAHLLOKOSA-N 2 2 345.553 1.677 20 0 EDADLP CCSCC[C@@H](C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000174031864 441880429 /nfs/dbraw/zinc/88/04/29/441880429.db2.gz NSKNXDVTHWVJTJ-OAHLLOKOSA-N 2 2 345.553 1.677 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000119932701 441978812 /nfs/dbraw/zinc/97/88/12/441978812.db2.gz PYAKSYCOYYOGMU-YJBOKZPZSA-N 3 2 344.503 1.693 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000119932701 441978820 /nfs/dbraw/zinc/97/88/20/441978820.db2.gz PYAKSYCOYYOGMU-YJBOKZPZSA-N 3 2 344.503 1.693 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150856672 441963111 /nfs/dbraw/zinc/96/31/11/441963111.db2.gz GNCSIVLMQVPPRV-HZPDHXFCSA-N 2 2 339.480 1.108 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150856672 441963117 /nfs/dbraw/zinc/96/31/17/441963117.db2.gz GNCSIVLMQVPPRV-HZPDHXFCSA-N 2 2 339.480 1.108 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCOc2ccccc2)[C@H](C)C1 ZINC000174772590 441966831 /nfs/dbraw/zinc/96/68/31/441966831.db2.gz DQQJGJFDEUBYET-AEFFLSMTSA-N 2 2 333.476 1.844 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCOc2ccccc2)[C@H](C)C1 ZINC000174772590 441966836 /nfs/dbraw/zinc/96/68/36/441966836.db2.gz DQQJGJFDEUBYET-AEFFLSMTSA-N 2 2 333.476 1.844 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCOc2ccccc2)[C@H](C)C1 ZINC000174772590 441966840 /nfs/dbraw/zinc/96/68/40/441966840.db2.gz DQQJGJFDEUBYET-AEFFLSMTSA-N 2 2 333.476 1.844 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCOc2ccccc2)[C@H](C)C1 ZINC000174772590 441966843 /nfs/dbraw/zinc/96/68/43/441966843.db2.gz DQQJGJFDEUBYET-AEFFLSMTSA-N 2 2 333.476 1.844 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccco2)[C@H](C)C1 ZINC000174776953 441967606 /nfs/dbraw/zinc/96/76/06/441967606.db2.gz MXOQAXRFZNOQDK-HIFRSBDPSA-N 2 2 336.436 1.268 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccco2)[C@H](C)C1 ZINC000174776953 441967612 /nfs/dbraw/zinc/96/76/12/441967612.db2.gz MXOQAXRFZNOQDK-HIFRSBDPSA-N 2 2 336.436 1.268 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCc2ccco2)[C@H](C)C1 ZINC000174776953 441967615 /nfs/dbraw/zinc/96/76/15/441967615.db2.gz MXOQAXRFZNOQDK-HIFRSBDPSA-N 2 2 336.436 1.268 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccco2)[C@H](C)C1 ZINC000174776953 441967621 /nfs/dbraw/zinc/96/76/21/441967621.db2.gz MXOQAXRFZNOQDK-HIFRSBDPSA-N 2 2 336.436 1.268 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000125203537 441996975 /nfs/dbraw/zinc/99/69/75/441996975.db2.gz VBHLQCKMVZMUJV-QGZVFWFLSA-N 2 2 347.507 1.600 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000120054107 442000117 /nfs/dbraw/zinc/00/01/17/442000117.db2.gz AAFNPFGVANTWIS-LMMKCTJWSA-N 2 2 344.503 1.703 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000175264523 442028586 /nfs/dbraw/zinc/02/85/86/442028586.db2.gz ZPLXJPZBRIMVOU-INIZCTEOSA-N 3 2 339.528 1.044 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000175264523 442028593 /nfs/dbraw/zinc/02/85/93/442028593.db2.gz ZPLXJPZBRIMVOU-INIZCTEOSA-N 3 2 339.528 1.044 20 0 EDADLP CCOCC[N@@H+]1CCN(c2cncc(-n3cc[nH+]c3C)n2)C[C@H]1CC ZINC000161940951 442046973 /nfs/dbraw/zinc/04/69/73/442046973.db2.gz LKWQBOCNRHHCQG-MRXNPFEDSA-N 2 2 344.463 1.908 20 0 EDADLP CCOCC[N@H+]1CCN(c2cncc(-n3cc[nH+]c3C)n2)C[C@H]1CC ZINC000161940951 442046980 /nfs/dbraw/zinc/04/69/80/442046980.db2.gz LKWQBOCNRHHCQG-MRXNPFEDSA-N 2 2 344.463 1.908 20 0 EDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000079643854 442072598 /nfs/dbraw/zinc/07/25/98/442072598.db2.gz QKRGSAZWGBIEPN-UHFFFAOYSA-N 2 2 349.479 1.016 20 0 EDADLP COc1ccc(OC)c(CN2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000162228977 442076030 /nfs/dbraw/zinc/07/60/30/442076030.db2.gz UKXFWGSTJDAZTR-UHFFFAOYSA-N 2 2 330.432 1.718 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175778310 442121450 /nfs/dbraw/zinc/12/14/50/442121450.db2.gz KDDZTZYSYVUUNM-HNNXBMFYSA-N 2 2 347.463 1.011 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCOC1 ZINC000162814094 442124879 /nfs/dbraw/zinc/12/48/79/442124879.db2.gz IPFDUKWDYMAURN-ZBFHGGJFSA-N 2 2 337.489 1.407 20 0 EDADLP COC(C)(C)C[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175820057 442128898 /nfs/dbraw/zinc/12/88/98/442128898.db2.gz WCPLUXMWTSLUDW-CQSZACIVSA-N 2 2 328.501 1.515 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000152176127 442176952 /nfs/dbraw/zinc/17/69/52/442176952.db2.gz KCAHMJQTVIBEPQ-CVEARBPZSA-N 2 2 349.479 1.513 20 0 EDADLP Cc1csc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000127166818 442176998 /nfs/dbraw/zinc/17/69/98/442176998.db2.gz XTRPZTHRUZOYRJ-UHFFFAOYSA-N 2 2 336.505 1.828 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[N@@H+]1C1CC1 ZINC000121153979 442183319 /nfs/dbraw/zinc/18/33/19/442183319.db2.gz QVMGKYYCULFWND-STQMWFEESA-N 2 2 343.518 1.583 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[N@H+]1C1CC1 ZINC000121153979 442183322 /nfs/dbraw/zinc/18/33/22/442183322.db2.gz QVMGKYYCULFWND-STQMWFEESA-N 2 2 343.518 1.583 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000121161325 442185642 /nfs/dbraw/zinc/18/56/42/442185642.db2.gz MDJZJYHTTTXPGX-GDBMZVCRSA-N 2 2 325.478 1.178 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000121161325 442185643 /nfs/dbraw/zinc/18/56/43/442185643.db2.gz MDJZJYHTTTXPGX-GDBMZVCRSA-N 2 2 325.478 1.178 20 0 EDADLP O=C(Cn1cc[nH+]c1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000120939384 442155107 /nfs/dbraw/zinc/15/51/07/442155107.db2.gz IOLBGOYHJDFEKN-UHFFFAOYSA-N 2 2 347.850 1.475 20 0 EDADLP COc1ccc(C)nc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000127675404 442219116 /nfs/dbraw/zinc/21/91/16/442219116.db2.gz DPYWEFNIAFVFDW-UHFFFAOYSA-N 2 2 349.479 1.888 20 0 EDADLP COc1ccc(C)nc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000127675404 442219119 /nfs/dbraw/zinc/21/91/19/442219119.db2.gz DPYWEFNIAFVFDW-UHFFFAOYSA-N 2 2 349.479 1.888 20 0 EDADLP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000168750389 442225349 /nfs/dbraw/zinc/22/53/49/442225349.db2.gz MUUQFOUAFFKQPI-OAHLLOKOSA-N 2 2 348.472 1.113 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3CSC[NH2+]3)c2)C[C@H](C)O1 ZINC000169195365 442226264 /nfs/dbraw/zinc/22/62/64/442226264.db2.gz SRADQLJUZWQSNH-DVOMOZLQSA-N 2 2 335.473 1.897 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CSC[NH2+]3)c2)C[C@H](C)O1 ZINC000169195365 442226266 /nfs/dbraw/zinc/22/62/66/442226266.db2.gz SRADQLJUZWQSNH-DVOMOZLQSA-N 2 2 335.473 1.897 20 0 EDADLP COC(=O)CNC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000176916856 442272693 /nfs/dbraw/zinc/27/26/93/442272693.db2.gz ZHVBIFUDLOSSSQ-RDJZCZTQSA-N 2 2 347.459 1.261 20 0 EDADLP COC(=O)CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000176916856 442272695 /nfs/dbraw/zinc/27/26/95/442272695.db2.gz ZHVBIFUDLOSSSQ-RDJZCZTQSA-N 2 2 347.459 1.261 20 0 EDADLP COC(=O)CNC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176916856 442272696 /nfs/dbraw/zinc/27/26/96/442272696.db2.gz ZHVBIFUDLOSSSQ-RDJZCZTQSA-N 2 2 347.459 1.261 20 0 EDADLP COC(=O)CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176916856 442272697 /nfs/dbraw/zinc/27/26/97/442272697.db2.gz ZHVBIFUDLOSSSQ-RDJZCZTQSA-N 2 2 347.459 1.261 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCC[NH+]2CCCC2)C1 ZINC000153453295 442283260 /nfs/dbraw/zinc/28/32/60/442283260.db2.gz HVXCHSSCEOYIGZ-INIZCTEOSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC000153453295 442283265 /nfs/dbraw/zinc/28/32/65/442283265.db2.gz HVXCHSSCEOYIGZ-INIZCTEOSA-N 2 2 339.480 1.206 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057037 442291125 /nfs/dbraw/zinc/29/11/25/442291125.db2.gz GVHUVYPCYQARSG-ZNMIVQPWSA-N 2 2 327.469 1.105 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057037 442291126 /nfs/dbraw/zinc/29/11/26/442291126.db2.gz GVHUVYPCYQARSG-ZNMIVQPWSA-N 2 2 327.469 1.105 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057037 442291128 /nfs/dbraw/zinc/29/11/28/442291128.db2.gz GVHUVYPCYQARSG-ZNMIVQPWSA-N 2 2 327.469 1.105 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057037 442291131 /nfs/dbraw/zinc/29/11/31/442291131.db2.gz GVHUVYPCYQARSG-ZNMIVQPWSA-N 2 2 327.469 1.105 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOCc2ccccc2)CC1 ZINC000177136347 442303533 /nfs/dbraw/zinc/30/35/33/442303533.db2.gz MPTBPDRQEMSCPH-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000177330072 442329192 /nfs/dbraw/zinc/32/91/92/442329192.db2.gz NZCPXMVOABJBIM-ZBFHGGJFSA-N 2 2 331.464 1.670 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(OCc2nccn2C)cc1 ZINC000154285450 442330383 /nfs/dbraw/zinc/33/03/83/442330383.db2.gz LXAZSJXZBWUMGR-GOEBONIOSA-N 2 2 332.448 1.572 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC000177354166 442331320 /nfs/dbraw/zinc/33/13/20/442331320.db2.gz YRRRUDCJUWCZIO-MRXNPFEDSA-N 2 2 335.423 1.157 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377722 442334245 /nfs/dbraw/zinc/33/42/45/442334245.db2.gz VIUGSLSSSOFDRQ-UHFFFAOYSA-N 2 2 346.519 1.569 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377722 442334249 /nfs/dbraw/zinc/33/42/49/442334249.db2.gz VIUGSLSSSOFDRQ-UHFFFAOYSA-N 2 2 346.519 1.569 20 0 EDADLP Cc1ccccc1CNC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377722 442334252 /nfs/dbraw/zinc/33/42/52/442334252.db2.gz VIUGSLSSSOFDRQ-UHFFFAOYSA-N 2 2 346.519 1.569 20 0 EDADLP Cc1ccccc1CNC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377722 442334254 /nfs/dbraw/zinc/33/42/54/442334254.db2.gz VIUGSLSSSOFDRQ-UHFFFAOYSA-N 2 2 346.519 1.569 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CCO1 ZINC000177477507 442347209 /nfs/dbraw/zinc/34/72/09/442347209.db2.gz OCRCSVDIBGYWRK-HNNXBMFYSA-N 2 2 335.452 1.168 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CCO1 ZINC000177477507 442347213 /nfs/dbraw/zinc/34/72/13/442347213.db2.gz OCRCSVDIBGYWRK-HNNXBMFYSA-N 2 2 335.452 1.168 20 0 EDADLP Cc1nnc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1C ZINC000177478932 442347388 /nfs/dbraw/zinc/34/73/88/442347388.db2.gz LIAWHRYRSLGLSW-GJZGRUSLSA-N 2 2 335.496 1.835 20 0 EDADLP COCC[N@H+](C)CCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000171138967 442318948 /nfs/dbraw/zinc/31/89/48/442318948.db2.gz GLHPPRXXXHXHFS-VMPITWQZSA-N 2 2 328.416 1.580 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000171138967 442318951 /nfs/dbraw/zinc/31/89/51/442318951.db2.gz GLHPPRXXXHXHFS-VMPITWQZSA-N 2 2 328.416 1.580 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCO1 ZINC000171675800 442369462 /nfs/dbraw/zinc/36/94/62/442369462.db2.gz ZEZCXUSKFGPZFW-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCO1 ZINC000171675800 442369465 /nfs/dbraw/zinc/36/94/65/442369465.db2.gz ZEZCXUSKFGPZFW-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP Cc1ccc([C@@H](O)C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131578551 442375207 /nfs/dbraw/zinc/37/52/07/442375207.db2.gz QJKDJPCDIBMZGJ-MSOLQXFVSA-N 2 2 331.460 1.443 20 0 EDADLP Cc1ccc([C@@H](O)C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131578551 442375208 /nfs/dbraw/zinc/37/52/08/442375208.db2.gz QJKDJPCDIBMZGJ-MSOLQXFVSA-N 2 2 331.460 1.443 20 0 EDADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2c[nH+]ccc2OC(C)(C)C)CC1=O ZINC000131854895 442381871 /nfs/dbraw/zinc/38/18/71/442381871.db2.gz XSCNSCPURVTLHY-ZDUSSCGKSA-N 2 2 348.447 1.608 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177777358 442382925 /nfs/dbraw/zinc/38/29/25/442382925.db2.gz RENMQONZDLWUMZ-UHFFFAOYSA-N 2 2 343.431 1.341 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000132390625 442392307 /nfs/dbraw/zinc/39/23/07/442392307.db2.gz XHKUDVPQMQJAPJ-HNNXBMFYSA-N 2 2 337.468 1.271 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000132865059 442402054 /nfs/dbraw/zinc/40/20/54/442402054.db2.gz AJEXGPZLZLELDQ-IRXDYDNUSA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000132865059 442402058 /nfs/dbraw/zinc/40/20/58/442402058.db2.gz AJEXGPZLZLELDQ-IRXDYDNUSA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000132865059 442402060 /nfs/dbraw/zinc/40/20/60/442402060.db2.gz AJEXGPZLZLELDQ-IRXDYDNUSA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000132865059 442402062 /nfs/dbraw/zinc/40/20/62/442402062.db2.gz AJEXGPZLZLELDQ-IRXDYDNUSA-N 2 2 345.553 1.902 20 0 EDADLP CNC(=O)Cc1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000177599647 442361209 /nfs/dbraw/zinc/36/12/09/442361209.db2.gz JAUHIDMOBBDMMW-UHFFFAOYSA-N 2 2 347.488 1.620 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[NH+](C)C)c1 ZINC000155785252 442427389 /nfs/dbraw/zinc/42/73/89/442427389.db2.gz JWWAHAKNLREXPT-NVXWUHKLSA-N 2 2 342.443 1.873 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)c1 ZINC000178659622 442453157 /nfs/dbraw/zinc/45/31/57/442453157.db2.gz JQDTWZGNTMRHMA-MRXNPFEDSA-N 2 2 347.459 1.490 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)[C@]1(F)CC[NH2+]C1 ZINC000178853144 442503649 /nfs/dbraw/zinc/50/36/49/442503649.db2.gz HIQQQQLGQYAMKZ-SFHVURJKSA-N 2 2 330.407 1.834 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3ccncc3)CC2)CC1 ZINC000191609981 442476086 /nfs/dbraw/zinc/47/60/86/442476086.db2.gz XCPXPJIVXRGWTD-INIZCTEOSA-N 2 2 330.476 1.814 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)c1 ZINC000178766571 442478107 /nfs/dbraw/zinc/47/81/07/442478107.db2.gz FBRXSTALSOJSRN-CJNGLKHVSA-N 2 2 335.473 1.563 20 0 EDADLP C[C@H]1CC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156425337 442480081 /nfs/dbraw/zinc/48/00/81/442480081.db2.gz BZYNBCQJKHHKDU-KBPBESRZSA-N 2 2 333.436 1.487 20 0 EDADLP C[C@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156425337 442480082 /nfs/dbraw/zinc/48/00/82/442480082.db2.gz BZYNBCQJKHHKDU-KBPBESRZSA-N 2 2 333.436 1.487 20 0 EDADLP CNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156984928 442538570 /nfs/dbraw/zinc/53/85/70/442538570.db2.gz HFOHWYKNJXCBOI-HOCLYGCPSA-N 2 2 332.448 1.427 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156984928 442538575 /nfs/dbraw/zinc/53/85/75/442538575.db2.gz HFOHWYKNJXCBOI-HOCLYGCPSA-N 2 2 332.448 1.427 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156984928 442538581 /nfs/dbraw/zinc/53/85/81/442538581.db2.gz HFOHWYKNJXCBOI-HOCLYGCPSA-N 2 2 332.448 1.427 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156984928 442538584 /nfs/dbraw/zinc/53/85/84/442538584.db2.gz HFOHWYKNJXCBOI-HOCLYGCPSA-N 2 2 332.448 1.427 20 0 EDADLP CCCCOCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172749647 442532934 /nfs/dbraw/zinc/53/29/34/442532934.db2.gz SMGOGBISUBACPI-UHFFFAOYSA-N 2 2 325.497 1.870 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000172977801 442576526 /nfs/dbraw/zinc/57/65/26/442576526.db2.gz KBRGDEAZMAMZPX-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000172977801 442576531 /nfs/dbraw/zinc/57/65/31/442576531.db2.gz KBRGDEAZMAMZPX-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP COC[C@H](C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179132232 442579389 /nfs/dbraw/zinc/57/93/89/442579389.db2.gz VRCRFVBTWGNBFR-VPSFDDGASA-N 2 2 338.496 1.221 20 0 EDADLP COC[C@H](C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179132232 442579393 /nfs/dbraw/zinc/57/93/93/442579393.db2.gz VRCRFVBTWGNBFR-VPSFDDGASA-N 2 2 338.496 1.221 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000192049489 442579581 /nfs/dbraw/zinc/57/95/81/442579581.db2.gz CERQMHIYGUYJNZ-UHFFFAOYSA-N 2 2 335.411 1.833 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000192049489 442579587 /nfs/dbraw/zinc/57/95/87/442579587.db2.gz CERQMHIYGUYJNZ-UHFFFAOYSA-N 2 2 335.411 1.833 20 0 EDADLP C[C@@H](CCn1cccn1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000157567296 442593426 /nfs/dbraw/zinc/59/34/26/442593426.db2.gz SNOBCHCLHVLMGM-QFBILLFUSA-N 2 2 328.460 1.671 20 0 EDADLP C[C@@H](CCn1cccn1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000157567296 442593429 /nfs/dbraw/zinc/59/34/29/442593429.db2.gz SNOBCHCLHVLMGM-QFBILLFUSA-N 2 2 328.460 1.671 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC000186953235 442636513 /nfs/dbraw/zinc/63/65/13/442636513.db2.gz FJQYYSAUCDYJCS-INIZCTEOSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC000186953235 442636515 /nfs/dbraw/zinc/63/65/15/442636515.db2.gz FJQYYSAUCDYJCS-INIZCTEOSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000186953235 442636517 /nfs/dbraw/zinc/63/65/17/442636517.db2.gz FJQYYSAUCDYJCS-INIZCTEOSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000186953235 442636518 /nfs/dbraw/zinc/63/65/18/442636518.db2.gz FJQYYSAUCDYJCS-INIZCTEOSA-N 2 2 333.476 1.422 20 0 EDADLP CC1CC[NH+](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CC1 ZINC000136176490 442654722 /nfs/dbraw/zinc/65/47/22/442654722.db2.gz MTZLZKCTDSBXFT-UHFFFAOYSA-N 2 2 331.464 1.504 20 0 EDADLP C[C@H](CNc1ccccc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179303859 442617286 /nfs/dbraw/zinc/61/72/86/442617286.db2.gz BQQLVGGUVQGKNV-MRXNPFEDSA-N 2 2 347.507 1.812 20 0 EDADLP CC(C)Cc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc(=O)[nH]1 ZINC000180530360 442617648 /nfs/dbraw/zinc/61/76/48/442617648.db2.gz QRZDGNREMDCKRN-UHFFFAOYSA-N 2 2 348.491 1.742 20 0 EDADLP c1nc(N2CCC[C@@H]([NH2+][C@@H]3CCCOC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000180783675 442658855 /nfs/dbraw/zinc/65/88/55/442658855.db2.gz ZPEFFDAVFPSSFO-HZPDHXFCSA-N 2 2 347.463 1.051 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180593588 442629854 /nfs/dbraw/zinc/62/98/54/442629854.db2.gz ZOLFTYZZYBNTBB-OIISXLGYSA-N 2 2 326.448 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180593588 442629858 /nfs/dbraw/zinc/62/98/58/442629858.db2.gz ZOLFTYZZYBNTBB-OIISXLGYSA-N 2 2 326.448 1.488 20 0 EDADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000181045870 442677399 /nfs/dbraw/zinc/67/73/99/442677399.db2.gz WDXIACWGLIXNEF-NVXWUHKLSA-N 2 2 349.479 1.048 20 0 EDADLP Cc1ncc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000181047070 442677854 /nfs/dbraw/zinc/67/78/54/442677854.db2.gz CECYYPOHGPNGJH-JSGCOSHPSA-N 2 2 338.477 1.035 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc(C4CCC4)n3C)C2)CC1 ZINC000181308488 442689756 /nfs/dbraw/zinc/68/97/56/442689756.db2.gz FNTIBJWRNIYSJI-INIZCTEOSA-N 2 2 332.496 1.294 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc(C4CCC4)n3C)C2)CC1 ZINC000181308488 442689759 /nfs/dbraw/zinc/68/97/59/442689759.db2.gz FNTIBJWRNIYSJI-INIZCTEOSA-N 2 2 332.496 1.294 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000181362401 442692541 /nfs/dbraw/zinc/69/25/41/442692541.db2.gz HXZLDOZHRFRBGV-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP Cn1ncc2c1nc(NC[C@H]1CC[N@H+](Cc3ccccc3)C1)[nH+]c2N ZINC000192955200 442701322 /nfs/dbraw/zinc/70/13/22/442701322.db2.gz OGCCMTDGFFTERP-CQSZACIVSA-N 2 2 337.431 1.880 20 0 EDADLP Cn1ncc2c1nc(NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)[nH+]c2N ZINC000192955200 442701325 /nfs/dbraw/zinc/70/13/25/442701325.db2.gz OGCCMTDGFFTERP-CQSZACIVSA-N 2 2 337.431 1.880 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000188209206 442725016 /nfs/dbraw/zinc/72/50/16/442725016.db2.gz ICLVDESMBWLSOT-MSOLQXFVSA-N 2 2 349.450 1.800 20 0 EDADLP CCOC(=O)CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188281887 442733166 /nfs/dbraw/zinc/73/31/66/442733166.db2.gz NDOLQWCGUWCVRD-IBGZPJMESA-N 2 2 334.460 1.899 20 0 EDADLP CCOC(=O)CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188281887 442733168 /nfs/dbraw/zinc/73/31/68/442733168.db2.gz NDOLQWCGUWCVRD-IBGZPJMESA-N 2 2 334.460 1.899 20 0 EDADLP CCOC(=O)CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188281887 442733170 /nfs/dbraw/zinc/73/31/70/442733170.db2.gz NDOLQWCGUWCVRD-IBGZPJMESA-N 2 2 334.460 1.899 20 0 EDADLP CCOC(=O)CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188281887 442733171 /nfs/dbraw/zinc/73/31/71/442733171.db2.gz NDOLQWCGUWCVRD-IBGZPJMESA-N 2 2 334.460 1.899 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)[C@@H](C)C1 ZINC000182122888 442738133 /nfs/dbraw/zinc/73/81/33/442738133.db2.gz XHBZIXIHTIFAIB-HNNXBMFYSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)CC[N@H+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)[C@@H](C)C1 ZINC000182122888 442738136 /nfs/dbraw/zinc/73/81/36/442738136.db2.gz XHBZIXIHTIFAIB-HNNXBMFYSA-N 2 2 330.432 1.712 20 0 EDADLP CC(C)N1CC[C@@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000182577269 442788867 /nfs/dbraw/zinc/78/88/67/442788867.db2.gz HSIWUOOZSDXQNS-UJJTZGENSA-N 2 2 334.508 1.239 20 0 EDADLP CC(C)N1CC[C@@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000182577269 442788871 /nfs/dbraw/zinc/78/88/71/442788871.db2.gz HSIWUOOZSDXQNS-UJJTZGENSA-N 2 2 334.508 1.239 20 0 EDADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246699214 442805682 /nfs/dbraw/zinc/80/56/82/442805682.db2.gz YBOAODPBVGVHFP-IRXDYDNUSA-N 2 2 325.497 1.726 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](C)CO1 ZINC000182538014 442783526 /nfs/dbraw/zinc/78/35/26/442783526.db2.gz GMGFOEFRQCWNST-HUUCEWRRSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000193930295 442813688 /nfs/dbraw/zinc/81/36/88/442813688.db2.gz YOZVCGIDZWFZOE-UHFFFAOYSA-N 2 2 330.432 1.123 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000193930295 442813692 /nfs/dbraw/zinc/81/36/92/442813692.db2.gz YOZVCGIDZWFZOE-UHFFFAOYSA-N 2 2 330.432 1.123 20 0 EDADLP CC(C)[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH+]1CCOCC1 ZINC000268030856 442823668 /nfs/dbraw/zinc/82/36/68/442823668.db2.gz MKQFWGNLWNFLKP-OAHLLOKOSA-N 2 2 339.505 1.896 20 0 EDADLP CCOC(=O)[C@H](c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968695 442857783 /nfs/dbraw/zinc/85/77/83/442857783.db2.gz SNILEVDJKJYNSV-SFHVURJKSA-N 2 2 333.476 1.860 20 0 EDADLP CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968695 442857788 /nfs/dbraw/zinc/85/77/88/442857788.db2.gz SNILEVDJKJYNSV-SFHVURJKSA-N 2 2 333.476 1.860 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCOCC2CC2)CC1 ZINC000175557733 318439241 /nfs/dbraw/zinc/43/92/41/318439241.db2.gz GSLQZFPZAXTGPB-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000177552762 318445542 /nfs/dbraw/zinc/44/55/42/318445542.db2.gz AFUOAMMBROLNLZ-IAGOWNOFSA-N 2 2 334.464 1.795 20 0 EDADLP COc1ccc(O)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000189195250 442895395 /nfs/dbraw/zinc/89/53/95/442895395.db2.gz ZVVXOIPYAHZSAD-UHFFFAOYSA-N 2 2 347.459 1.689 20 0 EDADLP CC(C)OCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000183210297 442904637 /nfs/dbraw/zinc/90/46/37/442904637.db2.gz MSDRYWWMKVZPMD-JWTNVVGKSA-N 2 2 337.508 1.961 20 0 EDADLP CC(C)OCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000183210297 442904639 /nfs/dbraw/zinc/90/46/39/442904639.db2.gz MSDRYWWMKVZPMD-JWTNVVGKSA-N 2 2 337.508 1.961 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000249065404 442948874 /nfs/dbraw/zinc/94/88/74/442948874.db2.gz UKCYKVZALYDPCJ-BHIYHBOVSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H]1C[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000249065404 442948875 /nfs/dbraw/zinc/94/88/75/442948875.db2.gz UKCYKVZALYDPCJ-BHIYHBOVSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H]1C[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000249065404 442948879 /nfs/dbraw/zinc/94/88/79/442948879.db2.gz UKCYKVZALYDPCJ-BHIYHBOVSA-N 2 2 345.487 1.876 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)s1 ZINC000183301483 442919568 /nfs/dbraw/zinc/91/95/68/442919568.db2.gz MWAXNQIOGJOSRL-UHFFFAOYSA-N 2 2 346.294 1.716 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)s1 ZINC000183301483 442919574 /nfs/dbraw/zinc/91/95/74/442919574.db2.gz MWAXNQIOGJOSRL-UHFFFAOYSA-N 2 2 346.294 1.716 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000248873682 442932781 /nfs/dbraw/zinc/93/27/81/442932781.db2.gz LPKJMYZBCCKUND-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000248873682 442932787 /nfs/dbraw/zinc/93/27/87/442932787.db2.gz LPKJMYZBCCKUND-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000194748207 442947998 /nfs/dbraw/zinc/94/79/98/442947998.db2.gz QDTCCBNZFJVYPJ-SOLBZPMBSA-N 2 2 333.476 1.857 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000194748207 442948000 /nfs/dbraw/zinc/94/80/00/442948000.db2.gz QDTCCBNZFJVYPJ-SOLBZPMBSA-N 2 2 333.476 1.857 20 0 EDADLP CC[NH+](CC)CCCN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000193463307 318583803 /nfs/dbraw/zinc/58/38/03/318583803.db2.gz UQZZSRPNZMJTNO-UHFFFAOYSA-N 2 2 346.519 1.652 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000265981678 442992985 /nfs/dbraw/zinc/99/29/85/442992985.db2.gz BMIHMDPJAMKVAX-RTBURBONSA-N 2 2 348.487 1.697 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000268870447 443132023 /nfs/dbraw/zinc/13/20/23/443132023.db2.gz UHUJEIXFHUHNAH-GDZNZVCISA-N 2 2 337.489 1.728 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000268870447 443132028 /nfs/dbraw/zinc/13/20/28/443132028.db2.gz UHUJEIXFHUHNAH-GDZNZVCISA-N 2 2 337.489 1.728 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[NH+]1CCOCC1 ZINC000236685273 443144078 /nfs/dbraw/zinc/14/40/78/443144078.db2.gz VDKHJEYUPNQTKR-QZTJIDSGSA-N 2 2 331.460 1.346 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000268915093 443145978 /nfs/dbraw/zinc/14/59/78/443145978.db2.gz SEKCCCVZQODPBA-JOQOYGCGSA-N 2 2 328.460 1.897 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000268915093 443145979 /nfs/dbraw/zinc/14/59/79/443145979.db2.gz SEKCCCVZQODPBA-JOQOYGCGSA-N 2 2 328.460 1.897 20 0 EDADLP CC[N@H+](C)CCNC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000190403645 443101769 /nfs/dbraw/zinc/10/17/69/443101769.db2.gz HIZOWRJKEDLCDQ-UHFFFAOYSA-N 2 2 338.883 1.949 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000190403645 443101774 /nfs/dbraw/zinc/10/17/74/443101774.db2.gz HIZOWRJKEDLCDQ-UHFFFAOYSA-N 2 2 338.883 1.949 20 0 EDADLP CC[NH+](C)CCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190403645 443101775 /nfs/dbraw/zinc/10/17/75/443101775.db2.gz HIZOWRJKEDLCDQ-UHFFFAOYSA-N 2 2 338.883 1.949 20 0 EDADLP CC[NH+](C)CCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190403645 443101780 /nfs/dbraw/zinc/10/17/80/443101780.db2.gz HIZOWRJKEDLCDQ-UHFFFAOYSA-N 2 2 338.883 1.949 20 0 EDADLP COc1ccc(OC)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268864870 443130504 /nfs/dbraw/zinc/13/05/04/443130504.db2.gz FEWZWAHRPBKAEV-XJKSGUPXSA-N 2 2 335.448 1.694 20 0 EDADLP COc1ccc(OC)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268864870 443130505 /nfs/dbraw/zinc/13/05/05/443130505.db2.gz FEWZWAHRPBKAEV-XJKSGUPXSA-N 2 2 335.448 1.694 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000190693804 443165930 /nfs/dbraw/zinc/16/59/30/443165930.db2.gz FJIIQDFNFRHKDR-UHFFFAOYSA-N 2 2 334.420 1.363 20 0 EDADLP CCC[NH+]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266572811 443172552 /nfs/dbraw/zinc/17/25/52/443172552.db2.gz OXFSBOMUXJQHOV-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP CCC[NH+]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266572811 443172556 /nfs/dbraw/zinc/17/25/56/443172556.db2.gz OXFSBOMUXJQHOV-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP NC(=O)c1cccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000237764447 443182821 /nfs/dbraw/zinc/18/28/21/443182821.db2.gz LUTRFQJISKSHNJ-IBGZPJMESA-N 2 2 339.439 1.294 20 0 EDADLP NC(=O)c1cccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000237764447 443182823 /nfs/dbraw/zinc/18/28/23/443182823.db2.gz LUTRFQJISKSHNJ-IBGZPJMESA-N 2 2 339.439 1.294 20 0 EDADLP [NH3+]C1CC[NH+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000237868656 443184618 /nfs/dbraw/zinc/18/46/18/443184618.db2.gz SGYWPXNIOCOFAT-UHFFFAOYSA-N 2 2 331.460 1.274 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC[N@@H+]1C ZINC000185344953 443186599 /nfs/dbraw/zinc/18/65/99/443186599.db2.gz IXAHXJGHMTUHSM-QRQLOZEOSA-N 2 2 345.487 1.529 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC[N@H+]1C ZINC000185344953 443186604 /nfs/dbraw/zinc/18/66/04/443186604.db2.gz IXAHXJGHMTUHSM-QRQLOZEOSA-N 2 2 345.487 1.529 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266615643 443187057 /nfs/dbraw/zinc/18/70/57/443187057.db2.gz UUWMAPZYJAPLFO-GOSISDBHSA-N 2 2 342.443 1.599 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266615643 443187059 /nfs/dbraw/zinc/18/70/59/443187059.db2.gz UUWMAPZYJAPLFO-GOSISDBHSA-N 2 2 342.443 1.599 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cnn(Cc2ccccc2)c1 ZINC000268928364 443149199 /nfs/dbraw/zinc/14/91/99/443149199.db2.gz QFHKJWCEODQFGI-VQIMIIECSA-N 2 2 327.476 1.828 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cnn(Cc2ccccc2)c1 ZINC000268928364 443149204 /nfs/dbraw/zinc/14/92/04/443149204.db2.gz QFHKJWCEODQFGI-VQIMIIECSA-N 2 2 327.476 1.828 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000185166686 443153026 /nfs/dbraw/zinc/15/30/26/443153026.db2.gz PNDQNAGNCKOXPF-UHFFFAOYSA-N 2 2 348.472 1.357 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(N2CCOCC2)c1 ZINC000268938908 443153521 /nfs/dbraw/zinc/15/35/21/443153521.db2.gz SFNUHMDQLJMZFZ-LPHOPBHVSA-N 2 2 332.492 1.420 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(N2CCOCC2)c1 ZINC000268938908 443153523 /nfs/dbraw/zinc/15/35/23/443153523.db2.gz SFNUHMDQLJMZFZ-LPHOPBHVSA-N 2 2 332.492 1.420 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000236979896 443154805 /nfs/dbraw/zinc/15/48/05/443154805.db2.gz FQPDZXDXJSFQBG-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000245439037 443228101 /nfs/dbraw/zinc/22/81/01/443228101.db2.gz SMXUNHDCKITVHC-QWRGUYRKSA-N 2 2 338.374 1.037 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000245439037 443228105 /nfs/dbraw/zinc/22/81/05/443228105.db2.gz SMXUNHDCKITVHC-QWRGUYRKSA-N 2 2 338.374 1.037 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000245439037 443228110 /nfs/dbraw/zinc/22/81/10/443228110.db2.gz SMXUNHDCKITVHC-QWRGUYRKSA-N 2 2 338.374 1.037 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000245439037 443228111 /nfs/dbraw/zinc/22/81/11/443228111.db2.gz SMXUNHDCKITVHC-QWRGUYRKSA-N 2 2 338.374 1.037 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCOCCC(C)C)[C@@H](C)C1 ZINC000245443786 443228249 /nfs/dbraw/zinc/22/82/49/443228249.db2.gz XKDVZZBHQHRNMF-IRXDYDNUSA-N 2 2 327.513 1.827 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCOCCC(C)C)[C@@H](C)C1 ZINC000245443786 443228251 /nfs/dbraw/zinc/22/82/51/443228251.db2.gz XKDVZZBHQHRNMF-IRXDYDNUSA-N 2 2 327.513 1.827 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCOCCC(C)C)[C@@H](C)C1 ZINC000245443786 443228254 /nfs/dbraw/zinc/22/82/54/443228254.db2.gz XKDVZZBHQHRNMF-IRXDYDNUSA-N 2 2 327.513 1.827 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCOCCC(C)C)[C@@H](C)C1 ZINC000245443786 443228255 /nfs/dbraw/zinc/22/82/55/443228255.db2.gz XKDVZZBHQHRNMF-IRXDYDNUSA-N 2 2 327.513 1.827 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269211871 443234453 /nfs/dbraw/zinc/23/44/53/443234453.db2.gz BEDRRQNPRYUBGV-JKSUJKDBSA-N 2 2 347.463 1.171 20 0 EDADLP C[NH+]1CCC(CCNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000266786451 443241591 /nfs/dbraw/zinc/24/15/91/443241591.db2.gz BOTUGZCPPVHEBJ-UHFFFAOYSA-N 2 2 345.487 1.981 20 0 EDADLP C[C@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000266789839 443242238 /nfs/dbraw/zinc/24/22/38/443242238.db2.gz CBJYXLWAUZHYNN-OAHLLOKOSA-N 2 2 331.460 1.731 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000185480642 443206957 /nfs/dbraw/zinc/20/69/57/443206957.db2.gz AMNOAMKVUAVVQL-KRWDZBQOSA-N 2 2 345.487 1.523 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3cn(C4CC[NH2+]CC4)nn3)[nH+]c2c1 ZINC000269238005 443245420 /nfs/dbraw/zinc/24/54/20/443245420.db2.gz IFWSYDNATYMKSI-UHFFFAOYSA-N 2 2 339.403 1.089 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000410585402 319143269 /nfs/dbraw/zinc/14/32/69/319143269.db2.gz AXAZPKUCRIKMTM-AWEZNQCLSA-N 2 2 347.463 1.058 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000410585402 319143270 /nfs/dbraw/zinc/14/32/70/319143270.db2.gz AXAZPKUCRIKMTM-AWEZNQCLSA-N 2 2 347.463 1.058 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCSC3(CCC3)CC2)CC1 ZINC000411871043 319210806 /nfs/dbraw/zinc/21/08/06/319210806.db2.gz QAGQBOUIBMAMAB-OAHLLOKOSA-N 2 2 325.522 1.901 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCSC3(CCC3)CC2)CC1 ZINC000411871043 319210809 /nfs/dbraw/zinc/21/08/09/319210809.db2.gz QAGQBOUIBMAMAB-OAHLLOKOSA-N 2 2 325.522 1.901 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000415082364 319345966 /nfs/dbraw/zinc/34/59/66/319345966.db2.gz OFVJMKZTPRUEGG-QZTJIDSGSA-N 3 2 347.503 1.875 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415793360 319370643 /nfs/dbraw/zinc/37/06/43/319370643.db2.gz UJRMGPOWYYNWAL-VIFPVBQESA-N 2 2 342.241 1.736 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000415823243 319374577 /nfs/dbraw/zinc/37/45/77/319374577.db2.gz PJWRZOHJWUUZAL-UHFFFAOYSA-N 2 2 341.415 1.236 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000269274187 443262088 /nfs/dbraw/zinc/26/20/88/443262088.db2.gz VKVRYCIISJBZNQ-CYBMUJFWSA-N 2 2 340.349 1.974 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccccc3O)CC2)CC1 ZINC000269458616 443313910 /nfs/dbraw/zinc/31/39/10/443313910.db2.gz MICZXWPMAUSVJQ-UHFFFAOYSA-N 2 2 347.459 1.446 20 0 EDADLP Cc1ccncc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000269485081 443322192 /nfs/dbraw/zinc/32/21/92/443322192.db2.gz QBNMYEXWOZJEKG-LJQANCHMSA-N 2 2 332.492 1.617 20 0 EDADLP Cc1ccncc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000269485081 443322193 /nfs/dbraw/zinc/32/21/93/443322193.db2.gz QBNMYEXWOZJEKG-LJQANCHMSA-N 2 2 332.492 1.617 20 0 EDADLP C[NH+](C)[C@]1(CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCSC1 ZINC000267060986 443328671 /nfs/dbraw/zinc/32/86/71/443328671.db2.gz GXVVDTNJACLRQT-CJNGLKHVSA-N 2 2 337.493 1.287 20 0 EDADLP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccco1 ZINC000264572821 443332562 /nfs/dbraw/zinc/33/25/62/443332562.db2.gz VZFAMLWUIJRHGA-CABCVRRESA-N 2 2 345.447 1.993 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000269551293 443345105 /nfs/dbraw/zinc/34/51/05/443345105.db2.gz YLWFWTOFAFLLMR-GOSISDBHSA-N 2 2 342.443 1.460 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266938018 443295863 /nfs/dbraw/zinc/29/58/63/443295863.db2.gz QMYFMJJQEBQCBP-HNNXBMFYSA-N 2 2 327.432 1.247 20 0 EDADLP CC[NH+]1CCN(CCC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000264692513 443376662 /nfs/dbraw/zinc/37/66/62/443376662.db2.gz UFHAMLVJFMRECU-UHFFFAOYSA-N 2 2 333.480 1.418 20 0 EDADLP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCN1c1nccn2cnnc12 ZINC000269661548 443383887 /nfs/dbraw/zinc/38/38/87/443383887.db2.gz ONTVMVSNUJQOMB-HZPDHXFCSA-N 2 2 343.479 1.509 20 0 EDADLP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCN1c1nccn2cnnc12 ZINC000269661548 443383893 /nfs/dbraw/zinc/38/38/93/443383893.db2.gz ONTVMVSNUJQOMB-HZPDHXFCSA-N 2 2 343.479 1.509 20 0 EDADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCN1c1nccn2cnnc12 ZINC000269661548 443383897 /nfs/dbraw/zinc/38/38/97/443383897.db2.gz ONTVMVSNUJQOMB-HZPDHXFCSA-N 2 2 343.479 1.509 20 0 EDADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCN1c1nccn2cnnc12 ZINC000269661548 443383902 /nfs/dbraw/zinc/38/39/02/443383902.db2.gz ONTVMVSNUJQOMB-HZPDHXFCSA-N 2 2 343.479 1.509 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000282595672 443384797 /nfs/dbraw/zinc/38/47/97/443384797.db2.gz HHALXKFUPRHJDI-MRXNPFEDSA-N 2 2 328.464 1.220 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000282595672 443384798 /nfs/dbraw/zinc/38/47/98/443384798.db2.gz HHALXKFUPRHJDI-MRXNPFEDSA-N 2 2 328.464 1.220 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)[NH+](C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264710475 443385162 /nfs/dbraw/zinc/38/51/62/443385162.db2.gz DLTFAPALMMASLE-LSDHHAIUSA-N 2 2 336.455 1.403 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cccc(CO)c2)CC1 ZINC000267240812 443390460 /nfs/dbraw/zinc/39/04/60/443390460.db2.gz AJVUDPRWFGKWCU-UHFFFAOYSA-N 2 2 334.464 1.004 20 0 EDADLP CNC(=O)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282486005 443353511 /nfs/dbraw/zinc/35/35/11/443353511.db2.gz MCZHDHLJTPDWGV-HNNXBMFYSA-N 2 2 332.448 1.332 20 0 EDADLP CNC(=O)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282486005 443353515 /nfs/dbraw/zinc/35/35/15/443353515.db2.gz MCZHDHLJTPDWGV-HNNXBMFYSA-N 2 2 332.448 1.332 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)c1cccs1 ZINC000278527702 443354320 /nfs/dbraw/zinc/35/43/20/443354320.db2.gz DJPRQUOHSLKGGT-ZDUSSCGKSA-N 2 2 325.478 1.578 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000420380742 319612904 /nfs/dbraw/zinc/61/29/04/319612904.db2.gz YSBCRIIJEMMZDC-IIYDPXPESA-N 2 2 347.488 1.908 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCCCN(C)c1ccccc1 ZINC000420380733 319612965 /nfs/dbraw/zinc/61/29/65/319612965.db2.gz YRFVXFCYNPPLMJ-GPMSIDNRSA-N 2 2 332.492 1.605 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)c1cccc(F)c1 ZINC000278781771 443436519 /nfs/dbraw/zinc/43/65/19/443436519.db2.gz XTIVNPSWPYZCPS-MRXNPFEDSA-N 2 2 337.439 1.655 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000282630396 443393892 /nfs/dbraw/zinc/39/38/92/443393892.db2.gz KFNHJFZFLZFXEH-HNNXBMFYSA-N 2 2 343.475 1.942 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](C)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264742728 443401278 /nfs/dbraw/zinc/40/12/78/443401278.db2.gz ROEDFJUCLXUGPX-OAHLLOKOSA-N 2 2 348.466 1.547 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@](C)(O)c1ccccc1 ZINC000272791729 443446928 /nfs/dbraw/zinc/44/69/28/443446928.db2.gz WWTCQNJPFQJVPF-FQEVSTJZSA-N 2 2 347.503 1.769 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@](C)(O)c1ccccc1 ZINC000272791729 443446933 /nfs/dbraw/zinc/44/69/33/443446933.db2.gz WWTCQNJPFQJVPF-FQEVSTJZSA-N 2 2 347.503 1.769 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NCC[N@H+](C)C3CC3)c[nH+]2)CCO1 ZINC000264845806 443451275 /nfs/dbraw/zinc/45/12/75/443451275.db2.gz KQVRIBXDYZRWBW-AWEZNQCLSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NCC[N@@H+](C)C3CC3)c[nH+]2)CCO1 ZINC000264845806 443451278 /nfs/dbraw/zinc/45/12/78/443451278.db2.gz KQVRIBXDYZRWBW-AWEZNQCLSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000422735576 319735060 /nfs/dbraw/zinc/73/50/60/319735060.db2.gz FHBRXCOEJOPFPR-UPJWGTAASA-N 2 2 330.375 1.061 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000423307304 319762899 /nfs/dbraw/zinc/76/28/99/319762899.db2.gz GUGITQPCWBFNBR-DOTOQJQBSA-N 2 2 341.459 1.367 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)COC1CC[NH2+]CC1)C2 ZINC000423363919 319767051 /nfs/dbraw/zinc/76/70/51/319767051.db2.gz CCVKDITXNXDREF-ZDUSSCGKSA-N 2 2 334.464 1.380 20 0 EDADLP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000423368442 319767968 /nfs/dbraw/zinc/76/79/68/319767968.db2.gz AXPHUWGDVFRIET-KRWDZBQOSA-N 2 2 349.479 1.452 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC1(C[NH3+])CC1 ZINC000423389985 319770002 /nfs/dbraw/zinc/77/00/02/319770002.db2.gz VMNMFCIJDHESEN-KRWDZBQOSA-N 2 2 345.487 1.865 20 0 EDADLP COC(=O)c1cncc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000272122050 443533604 /nfs/dbraw/zinc/53/36/04/443533604.db2.gz ZVNBMZXUELCWMI-UHFFFAOYSA-N 2 2 349.435 1.016 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000279523756 443600825 /nfs/dbraw/zinc/60/08/25/443600825.db2.gz SYEWADTVMBOACN-IRXDYDNUSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000279523756 443600827 /nfs/dbraw/zinc/60/08/27/443600827.db2.gz SYEWADTVMBOACN-IRXDYDNUSA-N 2 2 342.443 1.342 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@H]2O)CC1 ZINC000274253589 443601478 /nfs/dbraw/zinc/60/14/78/443601478.db2.gz ZJRYFAMERHCBMX-IEBWSBKVSA-N 2 2 332.444 1.652 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274881215 443613710 /nfs/dbraw/zinc/61/37/10/443613710.db2.gz HMEZSGDSBYHIIZ-HNNXBMFYSA-N 2 2 346.479 1.431 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274881215 443613712 /nfs/dbraw/zinc/61/37/12/443613712.db2.gz HMEZSGDSBYHIIZ-HNNXBMFYSA-N 2 2 346.479 1.431 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@@H+]1C1CC1 ZINC000449376635 320185452 /nfs/dbraw/zinc/18/54/52/320185452.db2.gz MBCWZUWTBLLMEJ-WCQYABFASA-N 2 2 340.265 1.826 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@H+]1C1CC1 ZINC000449376635 320185454 /nfs/dbraw/zinc/18/54/54/320185454.db2.gz MBCWZUWTBLLMEJ-WCQYABFASA-N 2 2 340.265 1.826 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000449386077 320185941 /nfs/dbraw/zinc/18/59/41/320185941.db2.gz SEDSAABFLNFOFU-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449388965 320187159 /nfs/dbraw/zinc/18/71/59/320187159.db2.gz QZTBCRBSAQQTNR-WBVHZDCISA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000449388965 320187162 /nfs/dbraw/zinc/18/71/62/320187162.db2.gz QZTBCRBSAQQTNR-WBVHZDCISA-N 2 2 349.475 1.849 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449399053 320189207 /nfs/dbraw/zinc/18/92/07/320189207.db2.gz ZRVMOIIYDUBNJM-QGZVFWFLSA-N 2 2 336.480 1.101 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000449399053 320189209 /nfs/dbraw/zinc/18/92/09/320189209.db2.gz ZRVMOIIYDUBNJM-QGZVFWFLSA-N 2 2 336.480 1.101 20 0 EDADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449398299 320189362 /nfs/dbraw/zinc/18/93/62/320189362.db2.gz XOVXBTULKJATRA-AEFFLSMTSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449398299 320189363 /nfs/dbraw/zinc/18/93/63/320189363.db2.gz XOVXBTULKJATRA-AEFFLSMTSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000449756360 320205686 /nfs/dbraw/zinc/20/56/86/320205686.db2.gz VXDMNDOJRNTOEG-YOEHRIQHSA-N 2 2 348.466 1.593 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450233849 320215632 /nfs/dbraw/zinc/21/56/32/320215632.db2.gz PZYIEPSRKBZRKV-GOSISDBHSA-N 2 2 338.540 1.735 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450233849 320215634 /nfs/dbraw/zinc/21/56/34/320215634.db2.gz PZYIEPSRKBZRKV-GOSISDBHSA-N 2 2 338.540 1.735 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1-n1ccnn1 ZINC000453262240 320261238 /nfs/dbraw/zinc/26/12/38/320261238.db2.gz KNPWJRGWRTXZJA-HZPDHXFCSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1-n1ccnn1 ZINC000453262240 320261240 /nfs/dbraw/zinc/26/12/40/320261240.db2.gz KNPWJRGWRTXZJA-HZPDHXFCSA-N 2 2 329.448 1.765 20 0 EDADLP CC[C@@H](C(=O)N(C)[C@H]1CC[NH+](C(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000457095171 320319539 /nfs/dbraw/zinc/31/95/39/320319539.db2.gz PSLSULTVFRVVPM-BBWFWOEESA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@@H](C(=O)N(C)[C@H]1CC[NH+](C(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000457095171 320319540 /nfs/dbraw/zinc/31/95/40/320319540.db2.gz PSLSULTVFRVVPM-BBWFWOEESA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000457095171 320319541 /nfs/dbraw/zinc/31/95/41/320319541.db2.gz PSLSULTVFRVVPM-BBWFWOEESA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000457095171 320319542 /nfs/dbraw/zinc/31/95/42/320319542.db2.gz PSLSULTVFRVVPM-BBWFWOEESA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000457603732 320330596 /nfs/dbraw/zinc/33/05/96/320330596.db2.gz PYMDHNSGKCAWPS-IAGOWNOFSA-N 2 2 340.512 1.469 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000457603732 320330597 /nfs/dbraw/zinc/33/05/97/320330597.db2.gz PYMDHNSGKCAWPS-IAGOWNOFSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cc[nH]c(=O)c1 ZINC000458596681 320337817 /nfs/dbraw/zinc/33/78/17/320337817.db2.gz OPMQUAGUMWKIIA-ZDUSSCGKSA-N 2 2 335.452 1.173 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000493171193 320393957 /nfs/dbraw/zinc/39/39/57/320393957.db2.gz LBAVNNOVNNGLBP-WAYWQWQTSA-N 2 2 326.404 1.360 20 0 EDADLP Cc1ncccc1/C=C\C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000493171806 320394138 /nfs/dbraw/zinc/39/41/38/320394138.db2.gz NUSHFEAQGMSYOA-FPLPWBNLSA-N 2 2 330.476 1.888 20 0 EDADLP Cc1ncccc1/C=C\C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000493171806 320394139 /nfs/dbraw/zinc/39/41/39/320394139.db2.gz NUSHFEAQGMSYOA-FPLPWBNLSA-N 2 2 330.476 1.888 20 0 EDADLP OCCO[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286334890 443693360 /nfs/dbraw/zinc/69/33/60/443693360.db2.gz IGUIYGQGNICONR-FQEVSTJZSA-N 2 2 347.503 1.672 20 0 EDADLP OCCO[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286334890 443693361 /nfs/dbraw/zinc/69/33/61/443693361.db2.gz IGUIYGQGNICONR-FQEVSTJZSA-N 2 2 347.503 1.672 20 0 EDADLP CC(C)[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[NH+]1CCCCCC1 ZINC000283695323 443691904 /nfs/dbraw/zinc/69/19/04/443691904.db2.gz ZHBNWUZZPQKDBF-HNNXBMFYSA-N 2 2 349.479 1.053 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000290939702 443716132 /nfs/dbraw/zinc/71/61/32/443716132.db2.gz ZYHIUHAXJYYPGF-QGZVFWFLSA-N 2 2 341.459 1.784 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000290939702 443716135 /nfs/dbraw/zinc/71/61/35/443716135.db2.gz ZYHIUHAXJYYPGF-QGZVFWFLSA-N 2 2 341.459 1.784 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CCC2 ZINC000518847317 320460615 /nfs/dbraw/zinc/46/06/15/320460615.db2.gz HJJOWFUCNIZHSD-GJZGRUSLSA-N 2 2 327.432 1.953 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccnn2-c2ccccc2)CC1 ZINC000280461196 443717116 /nfs/dbraw/zinc/71/71/16/443717116.db2.gz SJLGWPWRCBLWHI-UHFFFAOYSA-N 2 2 341.459 1.628 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280899875 443770641 /nfs/dbraw/zinc/77/06/41/443770641.db2.gz YUUUIARNRJIHJN-HDICACEKSA-N 2 2 338.455 1.943 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280899875 443770645 /nfs/dbraw/zinc/77/06/45/443770645.db2.gz YUUUIARNRJIHJN-HDICACEKSA-N 2 2 338.455 1.943 20 0 EDADLP O=C1NCCCC[C@@H]1[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000298452978 443772182 /nfs/dbraw/zinc/77/21/82/443772182.db2.gz HOQJPTJJLNTZDY-CVEARBPZSA-N 2 2 344.459 1.804 20 0 EDADLP O=C1NCCCC[C@@H]1[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000298452978 443772184 /nfs/dbraw/zinc/77/21/84/443772184.db2.gz HOQJPTJJLNTZDY-CVEARBPZSA-N 2 2 344.459 1.804 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000530385098 320622761 /nfs/dbraw/zinc/62/27/61/320622761.db2.gz UXBSQTVQNKMTJI-UHFFFAOYSA-N 3 2 333.480 1.029 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)nn1 ZINC000288318423 443843215 /nfs/dbraw/zinc/84/32/15/443843215.db2.gz ACMZGOYTSSEHDW-WMLDXEAASA-N 2 2 331.468 1.765 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)nn1 ZINC000288318423 443843218 /nfs/dbraw/zinc/84/32/18/443843218.db2.gz ACMZGOYTSSEHDW-WMLDXEAASA-N 2 2 331.468 1.765 20 0 EDADLP CC[C@H](C)[N@H+](CC(=O)OC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000281216146 443850430 /nfs/dbraw/zinc/85/04/30/443850430.db2.gz KALRSHAAJHAPAV-AWEZNQCLSA-N 2 2 335.452 1.002 20 0 EDADLP CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000281216146 443850434 /nfs/dbraw/zinc/85/04/34/443850434.db2.gz KALRSHAAJHAPAV-AWEZNQCLSA-N 2 2 335.452 1.002 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276735039 443807641 /nfs/dbraw/zinc/80/76/41/443807641.db2.gz YTZQTTPUPITYMQ-UHFFFAOYSA-N 2 2 331.460 1.215 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276735039 443807643 /nfs/dbraw/zinc/80/76/43/443807643.db2.gz YTZQTTPUPITYMQ-UHFFFAOYSA-N 2 2 331.460 1.215 20 0 EDADLP C[N@@H+]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000298737410 443854444 /nfs/dbraw/zinc/85/44/44/443854444.db2.gz JMBBSFQENXAUEW-UHFFFAOYSA-N 2 2 327.432 1.779 20 0 EDADLP C[N@H+]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000298737410 443854450 /nfs/dbraw/zinc/85/44/50/443854450.db2.gz JMBBSFQENXAUEW-UHFFFAOYSA-N 2 2 327.432 1.779 20 0 EDADLP Cc1ccccc1[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000534717811 320707104 /nfs/dbraw/zinc/70/71/04/320707104.db2.gz SKUPIWXMSKGJKV-GOSISDBHSA-N 2 2 348.491 1.354 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Nc3ccccn3)CC2)CC1 ZINC000534863564 320708333 /nfs/dbraw/zinc/70/83/33/320708333.db2.gz PDMOVGSVJNLHHY-MRXNPFEDSA-N 2 2 345.491 1.511 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000534863564 320708334 /nfs/dbraw/zinc/70/83/34/320708334.db2.gz PDMOVGSVJNLHHY-MRXNPFEDSA-N 3 2 345.491 1.511 20 0 EDADLP COc1c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(C)nn1C ZINC000288516663 443905203 /nfs/dbraw/zinc/90/52/03/443905203.db2.gz JGAZRMWQXSBUCK-UHFFFAOYSA-N 2 2 347.463 1.752 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277101184 443912294 /nfs/dbraw/zinc/91/22/94/443912294.db2.gz GLWNPKYJYBDNJZ-INIZCTEOSA-N 2 2 339.505 1.853 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277101184 443912298 /nfs/dbraw/zinc/91/22/98/443912298.db2.gz GLWNPKYJYBDNJZ-INIZCTEOSA-N 2 2 339.505 1.853 20 0 EDADLP COc1ccc(F)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000299038195 443934929 /nfs/dbraw/zinc/93/49/29/443934929.db2.gz FOJCQRNCMZLYTR-UHFFFAOYSA-N 2 2 337.439 1.932 20 0 EDADLP COc1ccc(F)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000299038195 443934930 /nfs/dbraw/zinc/93/49/30/443934930.db2.gz FOJCQRNCMZLYTR-UHFFFAOYSA-N 2 2 337.439 1.932 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000288828512 443993168 /nfs/dbraw/zinc/99/31/68/443993168.db2.gz UUPYSAXYURLVEQ-HNNXBMFYSA-N 2 2 349.431 1.046 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000285364717 443956817 /nfs/dbraw/zinc/95/68/17/443956817.db2.gz ALPCRBLGZKWDSQ-GOSISDBHSA-N 2 2 333.476 1.596 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000299474862 444055661 /nfs/dbraw/zinc/05/56/61/444055661.db2.gz BDYVGZDAGKSQEL-FUHWJXTLSA-N 2 2 330.476 1.408 20 0 EDADLP C[N@@H+]1CCc2ncnc(NCC[NH+]3CCc4sccc4C3)c2C1 ZINC000299546898 444075920 /nfs/dbraw/zinc/07/59/20/444075920.db2.gz BHJIDYIUHIBWGT-UHFFFAOYSA-N 2 2 329.473 1.996 20 0 EDADLP C[N@H+]1CCc2ncnc(NCC[NH+]3CCc4sccc4C3)c2C1 ZINC000299546898 444075923 /nfs/dbraw/zinc/07/59/23/444075923.db2.gz BHJIDYIUHIBWGT-UHFFFAOYSA-N 2 2 329.473 1.996 20 0 EDADLP C[NH+]1CCc2ncnc(NCC[N@@H+]3CCc4sccc4C3)c2C1 ZINC000299546898 444075928 /nfs/dbraw/zinc/07/59/28/444075928.db2.gz BHJIDYIUHIBWGT-UHFFFAOYSA-N 2 2 329.473 1.996 20 0 EDADLP C[NH+]1CCc2ncnc(NCC[N@H+]3CCc4sccc4C3)c2C1 ZINC000299546898 444075932 /nfs/dbraw/zinc/07/59/32/444075932.db2.gz BHJIDYIUHIBWGT-UHFFFAOYSA-N 2 2 329.473 1.996 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000558345320 321011538 /nfs/dbraw/zinc/01/15/38/321011538.db2.gz MVHQAZQEQLXRFA-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000558345320 321011539 /nfs/dbraw/zinc/01/15/39/321011539.db2.gz MVHQAZQEQLXRFA-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000558345320 321011540 /nfs/dbraw/zinc/01/15/40/321011540.db2.gz MVHQAZQEQLXRFA-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000558345320 321011541 /nfs/dbraw/zinc/01/15/41/321011541.db2.gz MVHQAZQEQLXRFA-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[N@@H+]1CCCC[C@H]1C ZINC000560985548 321030343 /nfs/dbraw/zinc/03/03/43/321030343.db2.gz ISTBOOZBOWEQRH-ZIAGYGMSSA-N 2 2 343.431 1.652 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[N@H+]1CCCC[C@H]1C ZINC000560985548 321030345 /nfs/dbraw/zinc/03/03/45/321030345.db2.gz ISTBOOZBOWEQRH-ZIAGYGMSSA-N 2 2 343.431 1.652 20 0 EDADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000564015485 321118880 /nfs/dbraw/zinc/11/88/80/321118880.db2.gz ZSFICMOQRZYXGO-WBVHZDCISA-N 2 2 328.416 1.289 20 0 EDADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000564015485 321118881 /nfs/dbraw/zinc/11/88/81/321118881.db2.gz ZSFICMOQRZYXGO-WBVHZDCISA-N 2 2 328.416 1.289 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000564188458 321123191 /nfs/dbraw/zinc/12/31/91/321123191.db2.gz PECHLHXYKGTNAP-NJAFHUGGSA-N 2 2 346.475 1.266 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000564188458 321123193 /nfs/dbraw/zinc/12/31/93/321123193.db2.gz PECHLHXYKGTNAP-NJAFHUGGSA-N 2 2 346.475 1.266 20 0 EDADLP c1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000565225715 321176705 /nfs/dbraw/zinc/17/67/05/321176705.db2.gz SIJMWOFDBVLYOV-INIZCTEOSA-N 2 2 347.463 1.004 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]CCOc1cccc(Br)c1)C1CC1 ZINC000566106598 321215275 /nfs/dbraw/zinc/21/52/75/321215275.db2.gz VAEGCVVFTYFLNT-CQSZACIVSA-N 2 2 343.265 1.873 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]CCOc1cccc(Br)c1)C1CC1 ZINC000566106598 321215277 /nfs/dbraw/zinc/21/52/77/321215277.db2.gz VAEGCVVFTYFLNT-CQSZACIVSA-N 2 2 343.265 1.873 20 0 EDADLP CC1CCC(O)(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000566108712 321215691 /nfs/dbraw/zinc/21/56/91/321215691.db2.gz YZTFFJXGWPFYRX-UHFFFAOYSA-N 2 2 347.507 1.520 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)C2CC2)cc1 ZINC000566413914 321228936 /nfs/dbraw/zinc/22/89/36/321228936.db2.gz WDPIWYKCMJCCKY-GDBMZVCRSA-N 2 2 331.460 1.998 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)C2CC2)cc1 ZINC000566413914 321228938 /nfs/dbraw/zinc/22/89/38/321228938.db2.gz WDPIWYKCMJCCKY-GDBMZVCRSA-N 2 2 331.460 1.998 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCC(=O)NC3(C)C)[nH+]c2)C1 ZINC000566832744 321234728 /nfs/dbraw/zinc/23/47/28/321234728.db2.gz DLSFIRKXGFQXBJ-GJZGRUSLSA-N 2 2 331.464 1.691 20 0 EDADLP C[NH+]1CCN([C@H](CNC(=O)c2coc(C[NH3+])c2)c2cccs2)CC1 ZINC000567747054 321257728 /nfs/dbraw/zinc/25/77/28/321257728.db2.gz UKBDVEPGNDUXDF-OAHLLOKOSA-N 2 2 348.472 1.518 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ccccc2C[NH+]2CCOCC2)n1C ZINC000568218893 321281871 /nfs/dbraw/zinc/28/18/71/321281871.db2.gz LUIFGQGGBFTFKD-UHFFFAOYSA-N 2 2 329.448 1.930 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000568777713 321306437 /nfs/dbraw/zinc/30/64/37/321306437.db2.gz FXBUIJGIZKYMGA-IEBWSBKVSA-N 2 2 345.487 1.388 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000568777713 321306438 /nfs/dbraw/zinc/30/64/38/321306438.db2.gz FXBUIJGIZKYMGA-IEBWSBKVSA-N 2 2 345.487 1.388 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000568780050 321306819 /nfs/dbraw/zinc/30/68/19/321306819.db2.gz SZAXVTXEPNUOTN-HDICACEKSA-N 2 2 331.460 1.384 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000568780050 321306820 /nfs/dbraw/zinc/30/68/20/321306820.db2.gz SZAXVTXEPNUOTN-HDICACEKSA-N 2 2 331.460 1.384 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000569864048 321330643 /nfs/dbraw/zinc/33/06/43/321330643.db2.gz SKFSDQPSVMAIED-UKRRQHHQSA-N 2 2 328.478 1.443 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000569864048 321330644 /nfs/dbraw/zinc/33/06/44/321330644.db2.gz SKFSDQPSVMAIED-UKRRQHHQSA-N 2 2 328.478 1.443 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1nc3c(s1)C[N@H+](C)CC3)C2 ZINC000289308379 444103507 /nfs/dbraw/zinc/10/35/07/444103507.db2.gz DSWAOVUDTIMZHT-NSHDSACASA-N 2 2 331.445 1.837 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1nc3c(s1)C[N@@H+](C)CC3)C2 ZINC000289308379 444103512 /nfs/dbraw/zinc/10/35/12/444103512.db2.gz DSWAOVUDTIMZHT-NSHDSACASA-N 2 2 331.445 1.837 20 0 EDADLP CC(C)(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[NH2+]CC1 ZINC000570207946 321340694 /nfs/dbraw/zinc/34/06/94/321340694.db2.gz VKPHGASZPBUJTH-UHFFFAOYSA-N 2 2 341.459 1.231 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000570524506 321345483 /nfs/dbraw/zinc/34/54/83/321345483.db2.gz JMVOLZXLOZKFON-GOSISDBHSA-N 2 2 339.443 1.967 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000571039978 321369498 /nfs/dbraw/zinc/36/94/98/321369498.db2.gz YUXUVXVFTHPFMP-MRXNPFEDSA-N 2 2 326.444 1.943 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000571039978 321369499 /nfs/dbraw/zinc/36/94/99/321369499.db2.gz YUXUVXVFTHPFMP-MRXNPFEDSA-N 2 2 326.444 1.943 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000571221606 321377697 /nfs/dbraw/zinc/37/76/97/321377697.db2.gz VLDXECHCECPCDF-UHFFFAOYSA-N 2 2 327.375 1.119 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC[C@H](C[NH3+])C1)CC2 ZINC000571322243 321382687 /nfs/dbraw/zinc/38/26/87/321382687.db2.gz YXAGSYDCVQXPON-CQSZACIVSA-N 2 2 347.459 1.259 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC[C@H](C[NH3+])C1)CC2 ZINC000571322243 321382688 /nfs/dbraw/zinc/38/26/88/321382688.db2.gz YXAGSYDCVQXPON-CQSZACIVSA-N 2 2 347.459 1.259 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C(C)(C)C ZINC000571521236 321390700 /nfs/dbraw/zinc/39/07/00/321390700.db2.gz VUGZGACLGLAMFX-UHFFFAOYSA-N 2 2 345.487 1.996 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C(C)(C)C ZINC000571521236 321390701 /nfs/dbraw/zinc/39/07/01/321390701.db2.gz VUGZGACLGLAMFX-UHFFFAOYSA-N 2 2 345.487 1.996 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](CO)c3ccnn3C)c2cc1C ZINC000571562780 321392361 /nfs/dbraw/zinc/39/23/61/321392361.db2.gz WBOCXZYKKNXGSF-GOEBONIOSA-N 2 2 343.431 1.071 20 0 EDADLP CC1CCN(C(=O)C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)CC1 ZINC000289324234 444107744 /nfs/dbraw/zinc/10/77/44/444107744.db2.gz KISSEZOAPRBBTB-INIZCTEOSA-N 2 2 346.475 1.859 20 0 EDADLP CC1CCN(C(=O)C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)CC1 ZINC000289324234 444107747 /nfs/dbraw/zinc/10/77/47/444107747.db2.gz KISSEZOAPRBBTB-INIZCTEOSA-N 2 2 346.475 1.859 20 0 EDADLP CS(=O)(=O)CCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289352098 444115415 /nfs/dbraw/zinc/11/54/15/444115415.db2.gz NBXLVXDZVVGJAT-UHFFFAOYSA-N 2 2 333.457 1.792 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000289409953 444133881 /nfs/dbraw/zinc/13/38/81/444133881.db2.gz SWKAPMPMPXNMAH-INIZCTEOSA-N 2 2 340.427 1.900 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000289409953 444133883 /nfs/dbraw/zinc/13/38/83/444133883.db2.gz SWKAPMPMPXNMAH-INIZCTEOSA-N 2 2 340.427 1.900 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000294684898 444136784 /nfs/dbraw/zinc/13/67/84/444136784.db2.gz AESKTJDBOSYUBW-ZOBUZTSGSA-N 2 2 333.476 1.999 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2NC1CC[NH+](CC(C)C)CC1 ZINC000301214174 444154567 /nfs/dbraw/zinc/15/45/67/444154567.db2.gz YCRJFELSHFCFSG-UHFFFAOYSA-N 2 2 346.435 1.532 20 0 EDADLP C[N@H+](C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1)C1CC1 ZINC000289385230 444126108 /nfs/dbraw/zinc/12/61/08/444126108.db2.gz LTXSDCCGKURMDZ-AQNXPRMDSA-N 2 2 345.487 1.027 20 0 EDADLP C[N@@H+](C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1)C1CC1 ZINC000289385230 444126113 /nfs/dbraw/zinc/12/61/13/444126113.db2.gz LTXSDCCGKURMDZ-AQNXPRMDSA-N 2 2 345.487 1.027 20 0 EDADLP C[NH+](C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C1CC1 ZINC000289385230 444126118 /nfs/dbraw/zinc/12/61/18/444126118.db2.gz LTXSDCCGKURMDZ-AQNXPRMDSA-N 2 2 345.487 1.027 20 0 EDADLP C[NH+](C[C@@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C1CC1 ZINC000289385230 444126122 /nfs/dbraw/zinc/12/61/22/444126122.db2.gz LTXSDCCGKURMDZ-AQNXPRMDSA-N 2 2 345.487 1.027 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3F)CC2)CC1 ZINC000289840574 444209896 /nfs/dbraw/zinc/20/98/96/444209896.db2.gz PIAHYIGISKGTJK-UHFFFAOYSA-N 2 2 337.414 1.951 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000289866053 444213064 /nfs/dbraw/zinc/21/30/64/444213064.db2.gz GTKKDGYNUBOJAQ-IAGOWNOFSA-N 2 2 341.459 1.367 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000289692318 444191227 /nfs/dbraw/zinc/19/12/27/444191227.db2.gz DYALXUHQMMFFSS-QRQLOZEOSA-N 2 2 345.487 1.873 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COCc2ccccc2F)n1C ZINC000576339543 321558275 /nfs/dbraw/zinc/55/82/75/321558275.db2.gz BKUJEXLMVFQMTR-OAHLLOKOSA-N 2 2 336.411 1.293 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000576809603 321598057 /nfs/dbraw/zinc/59/80/57/321598057.db2.gz AGWQGAYANGTDJA-IQMDTDKHSA-N 2 2 341.358 1.923 20 0 EDADLP FC(F)(F)C(F)(F)COCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000576834368 321600712 /nfs/dbraw/zinc/60/07/12/321600712.db2.gz KAWOSVOXGDXIBC-UHFFFAOYSA-N 2 2 328.285 1.746 20 0 EDADLP COc1nccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000297041350 444269479 /nfs/dbraw/zinc/26/94/79/444269479.db2.gz XYMFOFFHTPKKTB-ZFWWWQNUSA-N 2 2 348.426 1.263 20 0 EDADLP COc1nccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000297041350 444269481 /nfs/dbraw/zinc/26/94/81/444269481.db2.gz XYMFOFFHTPKKTB-ZFWWWQNUSA-N 2 2 348.426 1.263 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@@H](O)C[NH+]2CCCCC2)nc[nH+]1 ZINC000302784980 444224463 /nfs/dbraw/zinc/22/44/63/444224463.db2.gz MGHPKBHAYCSXHX-JKSUJKDBSA-N 2 2 349.479 1.087 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@@H](O)C[NH+]2CCCCC2)[nH+]cn1 ZINC000302784980 444224466 /nfs/dbraw/zinc/22/44/66/444224466.db2.gz MGHPKBHAYCSXHX-JKSUJKDBSA-N 2 2 349.479 1.087 20 0 EDADLP C[NH+]1CCC(CNc2cc(NCC3CC[NH+](C)CC3)[nH+]cn2)CC1 ZINC000302824500 444226236 /nfs/dbraw/zinc/22/62/36/444226236.db2.gz LTTMQMIKNSTJGJ-UHFFFAOYSA-N 3 2 332.496 1.984 20 0 EDADLP CC1=CC[N@H+](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000302840914 444227472 /nfs/dbraw/zinc/22/74/72/444227472.db2.gz LWIKRQWOUSNUOA-MRXNPFEDSA-N 2 2 331.464 1.892 20 0 EDADLP CC1=CC[N@@H+](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000302840914 444227475 /nfs/dbraw/zinc/22/74/75/444227475.db2.gz LWIKRQWOUSNUOA-MRXNPFEDSA-N 2 2 331.464 1.892 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@@H]3CC(N)=O)c2cc1C ZINC000303374464 444236432 /nfs/dbraw/zinc/23/64/32/444236432.db2.gz NKHHISLVEOSURQ-HZPDHXFCSA-N 2 2 344.459 1.744 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@@H]3CC(N)=O)c2cc1C ZINC000303374464 444236435 /nfs/dbraw/zinc/23/64/35/444236435.db2.gz NKHHISLVEOSURQ-HZPDHXFCSA-N 2 2 344.459 1.744 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000304061319 444241177 /nfs/dbraw/zinc/24/11/77/444241177.db2.gz PHWZVAPDSMGRNA-RBUKOAKNSA-N 2 2 345.487 1.566 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000304061319 444241179 /nfs/dbraw/zinc/24/11/79/444241179.db2.gz PHWZVAPDSMGRNA-RBUKOAKNSA-N 2 2 345.487 1.566 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000304061319 444241180 /nfs/dbraw/zinc/24/11/80/444241180.db2.gz PHWZVAPDSMGRNA-RBUKOAKNSA-N 2 2 345.487 1.566 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000304061319 444241181 /nfs/dbraw/zinc/24/11/81/444241181.db2.gz PHWZVAPDSMGRNA-RBUKOAKNSA-N 2 2 345.487 1.566 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000304253194 444244499 /nfs/dbraw/zinc/24/44/99/444244499.db2.gz YKVFGTZQGLYWHB-SFHVURJKSA-N 2 2 342.443 1.695 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000304301499 444246091 /nfs/dbraw/zinc/24/60/91/444246091.db2.gz LPEBXEMHGNTCKY-ZWKOTPCHSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000304301499 444246093 /nfs/dbraw/zinc/24/60/93/444246093.db2.gz LPEBXEMHGNTCKY-ZWKOTPCHSA-N 2 2 334.460 1.389 20 0 EDADLP COc1cc2[nH+]c(N3CCn4c[nH+]cc4C3)nc(N)c2cc1OC ZINC000290773591 444321662 /nfs/dbraw/zinc/32/16/62/444321662.db2.gz VRWDJZNUDKBFHO-UHFFFAOYSA-N 2 2 326.360 1.446 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC[C@H]2CCc3ccccc3N2)C[C@@H](C)O1 ZINC000577859628 321688723 /nfs/dbraw/zinc/68/87/23/321688723.db2.gz FQBVBUHUUQNFGE-PSBWJHGTSA-N 2 2 347.503 1.863 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000337681251 444349332 /nfs/dbraw/zinc/34/93/32/444349332.db2.gz HYQRKRNSDZYOMD-MRXNPFEDSA-N 2 2 331.460 1.477 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000337681251 444349337 /nfs/dbraw/zinc/34/93/37/444349337.db2.gz HYQRKRNSDZYOMD-MRXNPFEDSA-N 2 2 331.460 1.477 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000326552363 444376886 /nfs/dbraw/zinc/37/68/86/444376886.db2.gz BBGXAUUMGRRHTC-GOSISDBHSA-N 2 2 335.492 1.365 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000326552363 444376891 /nfs/dbraw/zinc/37/68/91/444376891.db2.gz BBGXAUUMGRRHTC-GOSISDBHSA-N 2 2 335.492 1.365 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000337741922 444383692 /nfs/dbraw/zinc/38/36/92/444383692.db2.gz DHJFCEZFSXEPGE-MRXNPFEDSA-N 2 2 326.462 1.530 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000337741922 444383695 /nfs/dbraw/zinc/38/36/95/444383695.db2.gz DHJFCEZFSXEPGE-MRXNPFEDSA-N 2 2 326.462 1.530 20 0 EDADLP O=CN1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000298013048 444387055 /nfs/dbraw/zinc/38/70/55/444387055.db2.gz COWAFDUSJTWLSR-UHFFFAOYSA-N 2 2 330.476 1.363 20 0 EDADLP C[NH+](C)CCn1nnnc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000337953587 444469984 /nfs/dbraw/zinc/46/99/84/444469984.db2.gz AOJQIVDWEMXDIC-UHFFFAOYSA-N 2 2 337.840 1.828 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000332045777 444498667 /nfs/dbraw/zinc/49/86/67/444498667.db2.gz KNDRKEUUAPKZOQ-ILXRZTDVSA-N 2 2 347.463 1.199 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000580062764 322003043 /nfs/dbraw/zinc/00/30/43/322003043.db2.gz FTHNNGJRIDTEHT-SWLSCSKDSA-N 2 2 341.452 1.453 20 0 EDADLP COCC1(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000580195233 322022111 /nfs/dbraw/zinc/02/21/11/322022111.db2.gz RSWIJDPFBZFAGH-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581240336 322152710 /nfs/dbraw/zinc/15/27/10/322152710.db2.gz PBIFLNUMCDUQIQ-HLLBOEOZSA-N 2 2 343.475 1.738 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)n12 ZINC000581251695 322155366 /nfs/dbraw/zinc/15/53/66/322155366.db2.gz FHGHKQQLYDEUIV-CHWSQXEVSA-N 2 2 340.431 1.059 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)n12 ZINC000581251695 322155368 /nfs/dbraw/zinc/15/53/68/322155368.db2.gz FHGHKQQLYDEUIV-CHWSQXEVSA-N 2 2 340.431 1.059 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000581476195 322181710 /nfs/dbraw/zinc/18/17/10/322181710.db2.gz IRFZQKYPQMQPST-GFCCVEGCSA-N 2 2 346.353 1.734 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000581538170 322188957 /nfs/dbraw/zinc/18/89/57/322188957.db2.gz FITNWHDZQFXURY-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000581618425 322200972 /nfs/dbraw/zinc/20/09/72/322200972.db2.gz BJLCOCRHCLECNK-JSGCOSHPSA-N 2 2 343.349 1.328 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000581618425 322200975 /nfs/dbraw/zinc/20/09/75/322200975.db2.gz BJLCOCRHCLECNK-JSGCOSHPSA-N 2 2 343.349 1.328 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000581992276 322241600 /nfs/dbraw/zinc/24/16/00/322241600.db2.gz PUIDCONPIHMJEI-UONOGXRCSA-N 2 2 339.509 1.073 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCCc3c(F)cccc3Cl)CCN2C1=O ZINC000582014187 322245646 /nfs/dbraw/zinc/24/56/46/322245646.db2.gz KACYDOJCTVGYNK-ABAIWWIYSA-N 2 2 325.815 1.656 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCCc3c(F)cccc3Cl)CCN2C1=O ZINC000582014187 322245648 /nfs/dbraw/zinc/24/56/48/322245648.db2.gz KACYDOJCTVGYNK-ABAIWWIYSA-N 2 2 325.815 1.656 20 0 EDADLP C[C@H]1CN(Cc2nnc3n2CCCC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343713075 444538704 /nfs/dbraw/zinc/53/87/04/444538704.db2.gz OOSYQLBDCNNCGW-HNNXBMFYSA-N 2 2 332.496 1.215 20 0 EDADLP C[C@H]1CN(Cc2nnc3n2CCCC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343713075 444538709 /nfs/dbraw/zinc/53/87/09/444538709.db2.gz OOSYQLBDCNNCGW-HNNXBMFYSA-N 2 2 332.496 1.215 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000343725615 444548336 /nfs/dbraw/zinc/54/83/36/444548336.db2.gz RSPOCBRCFTWPCU-MDZRGWNJSA-N 2 2 343.471 1.758 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000329558991 444628362 /nfs/dbraw/zinc/62/83/62/444628362.db2.gz IFWPXGRCPPPYIC-DLBZAZTESA-N 2 2 346.475 1.325 20 0 EDADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1c(C)nn(C)c1C ZINC000338310459 444624475 /nfs/dbraw/zinc/62/44/75/444624475.db2.gz UPYHEQZYPCCDJS-CRAIPNDOSA-N 2 2 335.496 1.630 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333929450 444721607 /nfs/dbraw/zinc/72/16/07/444721607.db2.gz YIVJRHHVSHSOJR-HZPDHXFCSA-N 2 2 329.448 1.433 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000342547005 444739235 /nfs/dbraw/zinc/73/92/35/444739235.db2.gz PWZOMTZVTLIOPL-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000342547005 444739238 /nfs/dbraw/zinc/73/92/38/444739238.db2.gz PWZOMTZVTLIOPL-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP COCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000342547005 444739241 /nfs/dbraw/zinc/73/92/41/444739241.db2.gz PWZOMTZVTLIOPL-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP COCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000342547005 444739243 /nfs/dbraw/zinc/73/92/43/444739243.db2.gz PWZOMTZVTLIOPL-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000342552122 444741685 /nfs/dbraw/zinc/74/16/85/444741685.db2.gz FJZHQUGEIJVLGL-UHFFFAOYSA-N 3 2 325.497 1.868 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCCC[C@H]1C ZINC000341256021 444750493 /nfs/dbraw/zinc/75/04/93/444750493.db2.gz KPFNQZRFJFBEDJ-VQHPVUNQSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCCC[C@H]1C ZINC000341256021 444750496 /nfs/dbraw/zinc/75/04/96/444750496.db2.gz KPFNQZRFJFBEDJ-VQHPVUNQSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1)[N@@H+]1CCCC[C@H]1C ZINC000341256021 444750502 /nfs/dbraw/zinc/75/05/02/444750502.db2.gz KPFNQZRFJFBEDJ-VQHPVUNQSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1)[N@H+]1CCCC[C@H]1C ZINC000341256021 444750504 /nfs/dbraw/zinc/75/05/04/444750504.db2.gz KPFNQZRFJFBEDJ-VQHPVUNQSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000341391021 444808206 /nfs/dbraw/zinc/80/82/06/444808206.db2.gz QNSZWTGEQXOUOE-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000341391021 444808209 /nfs/dbraw/zinc/80/82/09/444808209.db2.gz QNSZWTGEQXOUOE-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000341391021 444808214 /nfs/dbraw/zinc/80/82/14/444808214.db2.gz QNSZWTGEQXOUOE-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000341391021 444808217 /nfs/dbraw/zinc/80/82/17/444808217.db2.gz QNSZWTGEQXOUOE-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[NH+]1CCOCC1 ZINC000342689288 444814917 /nfs/dbraw/zinc/81/49/17/444814917.db2.gz DLEHOWQELSVUMS-ZIAGYGMSSA-N 2 2 333.423 1.094 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000342695842 444819528 /nfs/dbraw/zinc/81/95/28/444819528.db2.gz QHFRTPFDHSEJKT-HIFRSBDPSA-N 2 2 348.378 1.045 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000342699878 444822597 /nfs/dbraw/zinc/82/25/97/444822597.db2.gz WIEFPUDUBAROPB-HNNXBMFYSA-N 2 2 348.447 1.359 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000342708609 444827386 /nfs/dbraw/zinc/82/73/86/444827386.db2.gz NLKCSHSFPBSCCV-ZWKOTPCHSA-N 2 2 331.460 1.484 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000341437866 444831215 /nfs/dbraw/zinc/83/12/15/444831215.db2.gz FBHOUJHLADVBJN-GOSISDBHSA-N 3 2 345.535 1.662 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000344288118 444881463 /nfs/dbraw/zinc/88/14/63/444881463.db2.gz WGWZRFNGTBKXIX-INIZCTEOSA-N 2 2 333.480 1.952 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)C(C)C ZINC000341570055 444900018 /nfs/dbraw/zinc/90/00/18/444900018.db2.gz TUEOHWOPDWNSHM-IAGOWNOFSA-N 2 2 340.512 1.610 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)C(C)C ZINC000341570055 444900024 /nfs/dbraw/zinc/90/00/24/444900024.db2.gz TUEOHWOPDWNSHM-IAGOWNOFSA-N 2 2 340.512 1.610 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337074252 444930258 /nfs/dbraw/zinc/93/02/58/444930258.db2.gz PJQSLGIOHVTXLU-MSOLQXFVSA-N 2 2 333.476 1.594 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337074252 444930260 /nfs/dbraw/zinc/93/02/60/444930260.db2.gz PJQSLGIOHVTXLU-MSOLQXFVSA-N 2 2 333.476 1.594 20 0 EDADLP O=C(NCCC[NH+]1CCCC1)NCCNc1ccc2ccccc2[nH+]1 ZINC000338945826 444948433 /nfs/dbraw/zinc/94/84/33/444948433.db2.gz WAJSDMARMMSWGU-UHFFFAOYSA-N 2 2 341.459 2.432 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000339089876 445027398 /nfs/dbraw/zinc/02/73/98/445027398.db2.gz CXQWWJCWGXYUBW-CALCHBBNSA-N 2 2 347.507 1.370 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000339089876 445027401 /nfs/dbraw/zinc/02/74/01/445027401.db2.gz CXQWWJCWGXYUBW-CALCHBBNSA-N 2 2 347.507 1.370 20 0 EDADLP COCCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000343055624 445031499 /nfs/dbraw/zinc/03/14/99/445031499.db2.gz AXGCBJNAQAFBJV-KRWDZBQOSA-N 2 2 333.476 1.860 20 0 EDADLP COCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000343055624 445031503 /nfs/dbraw/zinc/03/15/03/445031503.db2.gz AXGCBJNAQAFBJV-KRWDZBQOSA-N 2 2 333.476 1.860 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000344458593 444988416 /nfs/dbraw/zinc/98/84/16/444988416.db2.gz KRCKNMDXUHEKFR-GOSISDBHSA-N 2 2 336.524 1.491 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000344458593 444988421 /nfs/dbraw/zinc/98/84/21/444988421.db2.gz KRCKNMDXUHEKFR-GOSISDBHSA-N 2 2 336.524 1.491 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337245378 445001358 /nfs/dbraw/zinc/00/13/58/445001358.db2.gz IMIBGNGXJUIGQE-UHFFFAOYSA-N 2 2 333.476 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337245378 445001362 /nfs/dbraw/zinc/00/13/62/445001362.db2.gz IMIBGNGXJUIGQE-UHFFFAOYSA-N 2 2 333.476 1.772 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccccc1Cl ZINC000337329953 445034905 /nfs/dbraw/zinc/03/49/05/445034905.db2.gz FOGIRRPBMDSBEY-UHFFFAOYSA-N 2 2 338.883 1.848 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccccc1Cl ZINC000337329953 445034907 /nfs/dbraw/zinc/03/49/07/445034907.db2.gz FOGIRRPBMDSBEY-UHFFFAOYSA-N 2 2 338.883 1.848 20 0 EDADLP COc1cc2c(cc1C[N@@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000337382265 445057269 /nfs/dbraw/zinc/05/72/69/445057269.db2.gz BFWRZKBZBPAXHX-OAHLLOKOSA-N 2 2 348.443 1.968 20 0 EDADLP COc1cc2c(cc1C[N@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000337382265 445057273 /nfs/dbraw/zinc/05/72/73/445057273.db2.gz BFWRZKBZBPAXHX-OAHLLOKOSA-N 2 2 348.443 1.968 20 0 EDADLP O=C(NCC[NH+]1CCC1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000337384686 445057908 /nfs/dbraw/zinc/05/79/08/445057908.db2.gz GXMWSJGDNYAXRO-KRWDZBQOSA-N 2 2 332.448 1.065 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000344558491 445058580 /nfs/dbraw/zinc/05/85/80/445058580.db2.gz LAXJGNMSPSGUIU-RTBURBONSA-N 2 2 326.444 1.758 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000344558491 445058586 /nfs/dbraw/zinc/05/85/86/445058586.db2.gz LAXJGNMSPSGUIU-RTBURBONSA-N 2 2 326.444 1.758 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000344764665 445140955 /nfs/dbraw/zinc/14/09/55/445140955.db2.gz BZMYDJZULFHUPH-QZWWFDLISA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000344764665 445140956 /nfs/dbraw/zinc/14/09/56/445140956.db2.gz BZMYDJZULFHUPH-QZWWFDLISA-N 2 2 336.480 1.118 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C[C@H]21 ZINC000342104071 445174221 /nfs/dbraw/zinc/17/42/21/445174221.db2.gz NCZXUNFPRZWMPC-JHJVBQTASA-N 2 2 334.445 1.068 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C[C@H]21 ZINC000342104071 445174223 /nfs/dbraw/zinc/17/42/23/445174223.db2.gz NCZXUNFPRZWMPC-JHJVBQTASA-N 2 2 334.445 1.068 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n(C(C)(C)C)n1 ZINC000342106130 445175246 /nfs/dbraw/zinc/17/52/46/445175246.db2.gz OWOAGMWIIAYJLD-ZNMIVQPWSA-N 2 2 333.480 1.944 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n(C(C)(C)C)n1 ZINC000342106130 445175249 /nfs/dbraw/zinc/17/52/49/445175249.db2.gz OWOAGMWIIAYJLD-ZNMIVQPWSA-N 2 2 333.480 1.944 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@H]3CCO[C@@H]3c3ccnn3C)CC2)CCO1 ZINC000343231899 445151139 /nfs/dbraw/zinc/15/11/39/445151139.db2.gz PNQMKKOXVBFCKJ-MDZRGWNJSA-N 2 2 348.491 1.683 20 0 EDADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@H]3CCO[C@@H]3c3ccnn3C)CC2)CCO1 ZINC000343231899 445151143 /nfs/dbraw/zinc/15/11/43/445151143.db2.gz PNQMKKOXVBFCKJ-MDZRGWNJSA-N 2 2 348.491 1.683 20 0 EDADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C[C@@H](C)C1 ZINC000346175804 445207317 /nfs/dbraw/zinc/20/73/17/445207317.db2.gz DLRZXVCXSPONSC-HWMZRRJGSA-N 2 2 333.480 1.212 20 0 EDADLP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C[C@@H](C)C1 ZINC000346175804 445207318 /nfs/dbraw/zinc/20/73/18/445207318.db2.gz DLRZXVCXSPONSC-HWMZRRJGSA-N 2 2 333.480 1.212 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CCC[N@H+]1C ZINC000343424051 445219914 /nfs/dbraw/zinc/21/99/14/445219914.db2.gz CEEXTPOLPQZLPJ-NJAFHUGGSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH+]1C ZINC000343424051 445219916 /nfs/dbraw/zinc/21/99/16/445219916.db2.gz CEEXTPOLPQZLPJ-NJAFHUGGSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH+]1C ZINC000343424051 445219918 /nfs/dbraw/zinc/21/99/18/445219918.db2.gz CEEXTPOLPQZLPJ-NJAFHUGGSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C[C@H]2OCC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000346491598 445216745 /nfs/dbraw/zinc/21/67/45/445216745.db2.gz KPWDMNBQDPSZHY-RLLQIKCJSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C[C@H]2OCC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000346491598 445216747 /nfs/dbraw/zinc/21/67/47/445216747.db2.gz KPWDMNBQDPSZHY-RLLQIKCJSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@H]2OCC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000346491598 445216748 /nfs/dbraw/zinc/21/67/48/445216748.db2.gz KPWDMNBQDPSZHY-RLLQIKCJSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000346491598 445216750 /nfs/dbraw/zinc/21/67/50/445216750.db2.gz KPWDMNBQDPSZHY-RLLQIKCJSA-N 2 2 347.503 1.711 20 0 EDADLP COc1cc2[nH+]c(NC[C@@H](CC(C)C)[NH+](C)C)nc(N)c2cc1OC ZINC000346605590 445219377 /nfs/dbraw/zinc/21/93/77/445219377.db2.gz NKPJPZPZXJDSRK-GFCCVEGCSA-N 2 2 347.463 2.039 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)CCc3[nH]cc[nH+]3)CC2)oc1C ZINC000343476743 445230196 /nfs/dbraw/zinc/23/01/96/445230196.db2.gz NOAWYAZVWJGUJN-UHFFFAOYSA-N 2 2 345.447 1.976 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000348363716 445267689 /nfs/dbraw/zinc/26/76/89/445267689.db2.gz XALVIWZFGKFECF-OAHLLOKOSA-N 2 2 343.431 1.768 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)CCc1ccncc1 ZINC000351626777 445247396 /nfs/dbraw/zinc/24/73/96/445247396.db2.gz HCNAKCWCQZPIBK-SJORKVTESA-N 2 2 331.439 1.902 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)CCc1ccncc1 ZINC000351626777 445247397 /nfs/dbraw/zinc/24/73/97/445247397.db2.gz HCNAKCWCQZPIBK-SJORKVTESA-N 2 2 331.439 1.902 20 0 EDADLP CC(C)OC[C@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348092876 445265676 /nfs/dbraw/zinc/26/56/76/445265676.db2.gz YKNHPJBKKMQAOG-HRCADAONSA-N 2 2 342.459 1.050 20 0 EDADLP CC(C)OC[C@H](O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348092876 445265679 /nfs/dbraw/zinc/26/56/79/445265679.db2.gz YKNHPJBKKMQAOG-HRCADAONSA-N 2 2 342.459 1.050 20 0 EDADLP CCOC[C@@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000348472423 445302935 /nfs/dbraw/zinc/30/29/35/445302935.db2.gz XSVOPOJTQXTVTM-IAGOWNOFSA-N 2 2 348.491 1.769 20 0 EDADLP CC[N@H+](CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)CCC(F)(F)F ZINC000348574113 445330822 /nfs/dbraw/zinc/33/08/22/445330822.db2.gz IDDSHOKWDKHZSV-NSHDSACASA-N 2 2 347.341 1.147 20 0 EDADLP CC[N@@H+](CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)CCC(F)(F)F ZINC000348574113 445330824 /nfs/dbraw/zinc/33/08/24/445330824.db2.gz IDDSHOKWDKHZSV-NSHDSACASA-N 2 2 347.341 1.147 20 0 EDADLP CC[N@H+](CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)CCC(F)(F)F ZINC000348574113 445330826 /nfs/dbraw/zinc/33/08/26/445330826.db2.gz IDDSHOKWDKHZSV-NSHDSACASA-N 2 2 347.341 1.147 20 0 EDADLP CC[N@@H+](CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)CCC(F)(F)F ZINC000348574113 445330829 /nfs/dbraw/zinc/33/08/29/445330829.db2.gz IDDSHOKWDKHZSV-NSHDSACASA-N 2 2 347.341 1.147 20 0 EDADLP CC[C@@H](C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000348260482 445330922 /nfs/dbraw/zinc/33/09/22/445330922.db2.gz NRQDXTOGWQRIGO-HKUYNNGSSA-N 2 2 345.487 1.703 20 0 EDADLP Cc1ncc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000351832003 445336754 /nfs/dbraw/zinc/33/67/54/445336754.db2.gz DUCKWPOJBNMLNT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ncc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000351832003 445336756 /nfs/dbraw/zinc/33/67/56/445336756.db2.gz DUCKWPOJBNMLNT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ncc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000351832003 445336758 /nfs/dbraw/zinc/33/67/58/445336758.db2.gz DUCKWPOJBNMLNT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ncc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000351832003 445336760 /nfs/dbraw/zinc/33/67/60/445336760.db2.gz DUCKWPOJBNMLNT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOC[C@H]3CC3CCC3)cn2)CC1 ZINC000354737662 445357879 /nfs/dbraw/zinc/35/78/79/445357879.db2.gz VKHXRZNBJUUMRP-GOSISDBHSA-N 2 2 345.491 1.619 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCOC[C@H]3CC3CCC3)cn2)CC1 ZINC000354737662 445357882 /nfs/dbraw/zinc/35/78/82/445357882.db2.gz VKHXRZNBJUUMRP-GOSISDBHSA-N 2 2 345.491 1.619 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)[C@@H](C)C1 ZINC000348738790 445359125 /nfs/dbraw/zinc/35/91/25/445359125.db2.gz ARHVAAVWSBHZJT-ZOBUZTSGSA-N 2 2 337.489 1.379 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)[C@@H](C)C1 ZINC000348738790 445359128 /nfs/dbraw/zinc/35/91/28/445359128.db2.gz ARHVAAVWSBHZJT-ZOBUZTSGSA-N 2 2 337.489 1.379 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)CN1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000354809909 445403513 /nfs/dbraw/zinc/40/35/13/445403513.db2.gz SMAHJHAMSFWLPG-INIZCTEOSA-N 2 2 327.432 1.118 20 0 EDADLP COC(=O)[C@@H]([C@H](C)O)[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000351973827 445409944 /nfs/dbraw/zinc/40/99/44/445409944.db2.gz DXTMPVMTPCBJSP-WMLDXEAASA-N 2 2 331.416 1.616 20 0 EDADLP COC(=O)[C@@H]([C@H](C)O)[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000351973827 445409948 /nfs/dbraw/zinc/40/99/48/445409948.db2.gz DXTMPVMTPCBJSP-WMLDXEAASA-N 2 2 331.416 1.616 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357082315 445415004 /nfs/dbraw/zinc/41/50/04/445415004.db2.gz HQICGDLQKIKLAV-ARFHVFGLSA-N 2 2 331.460 1.756 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357082315 445415007 /nfs/dbraw/zinc/41/50/07/445415007.db2.gz HQICGDLQKIKLAV-ARFHVFGLSA-N 2 2 331.460 1.756 20 0 EDADLP C[N@H+](CCOc1ccccc1Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000357100946 445428249 /nfs/dbraw/zinc/42/82/49/445428249.db2.gz LQSGBENWLBLIOQ-UHFFFAOYSA-N 2 2 325.840 1.425 20 0 EDADLP C[N@@H+](CCOc1ccccc1Cl)CC(=O)N1CC[NH+](C)CC1 ZINC000357100946 445428253 /nfs/dbraw/zinc/42/82/53/445428253.db2.gz LQSGBENWLBLIOQ-UHFFFAOYSA-N 2 2 325.840 1.425 20 0 EDADLP O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000348886078 445429115 /nfs/dbraw/zinc/42/91/15/445429115.db2.gz OQOQQPFIWRZDQQ-IBGZPJMESA-N 2 2 343.471 1.414 20 0 EDADLP O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000348886078 445429120 /nfs/dbraw/zinc/42/91/20/445429120.db2.gz OQOQQPFIWRZDQQ-IBGZPJMESA-N 2 2 343.471 1.414 20 0 EDADLP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000348886078 445429126 /nfs/dbraw/zinc/42/91/26/445429126.db2.gz OQOQQPFIWRZDQQ-IBGZPJMESA-N 2 2 343.471 1.414 20 0 EDADLP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000348886078 445429132 /nfs/dbraw/zinc/42/91/32/445429132.db2.gz OQOQQPFIWRZDQQ-IBGZPJMESA-N 2 2 343.471 1.414 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@@H+]1C ZINC000352001759 445430286 /nfs/dbraw/zinc/43/02/86/445430286.db2.gz CVBQTSRXXFEIMZ-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@H+]1C ZINC000352001759 445430290 /nfs/dbraw/zinc/43/02/90/445430290.db2.gz CVBQTSRXXFEIMZ-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1C ZINC000352001759 445430293 /nfs/dbraw/zinc/43/02/93/445430293.db2.gz CVBQTSRXXFEIMZ-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1C ZINC000352001759 445430295 /nfs/dbraw/zinc/43/02/95/445430295.db2.gz CVBQTSRXXFEIMZ-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357044286 445391569 /nfs/dbraw/zinc/39/15/69/445391569.db2.gz HAIMPIBRNCMVRQ-CJNGLKHVSA-N 2 2 343.431 1.996 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357044286 445391573 /nfs/dbraw/zinc/39/15/73/445391573.db2.gz HAIMPIBRNCMVRQ-CJNGLKHVSA-N 2 2 343.431 1.996 20 0 EDADLP COc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362705301 445509614 /nfs/dbraw/zinc/50/96/14/445509614.db2.gz XNADVNXNTORADY-INIZCTEOSA-N 2 2 346.475 1.663 20 0 EDADLP COc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362705301 445509618 /nfs/dbraw/zinc/50/96/18/445509618.db2.gz XNADVNXNTORADY-INIZCTEOSA-N 2 2 346.475 1.663 20 0 EDADLP CS(=O)(=O)CCCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360027991 445534969 /nfs/dbraw/zinc/53/49/69/445534969.db2.gz BMGXJFYLWAFOQA-UHFFFAOYSA-N 2 2 339.505 1.851 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000362663539 445485398 /nfs/dbraw/zinc/48/53/98/445485398.db2.gz KSSMYPYIWILREP-KRWDZBQOSA-N 2 2 339.443 1.473 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000362663539 445485402 /nfs/dbraw/zinc/48/54/02/445485402.db2.gz KSSMYPYIWILREP-KRWDZBQOSA-N 2 2 339.443 1.473 20 0 EDADLP CCN(C)c1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000349070280 445493900 /nfs/dbraw/zinc/49/39/00/445493900.db2.gz BDZWARHTAXDIEG-UHFFFAOYSA-N 2 2 333.524 1.996 20 0 EDADLP CCN(C)c1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000349070280 445493905 /nfs/dbraw/zinc/49/39/05/445493905.db2.gz BDZWARHTAXDIEG-UHFFFAOYSA-N 2 2 333.524 1.996 20 0 EDADLP CCN(CCOC)c1cccc(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)[nH+]1 ZINC000352103529 445494105 /nfs/dbraw/zinc/49/41/05/445494105.db2.gz PHCCSFGAODCXSA-MSOLQXFVSA-N 2 2 348.491 1.459 20 0 EDADLP CCN(CCOC)c1cccc(CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)[nH+]1 ZINC000352103529 445494109 /nfs/dbraw/zinc/49/41/09/445494109.db2.gz PHCCSFGAODCXSA-MSOLQXFVSA-N 2 2 348.491 1.459 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000359939835 445497372 /nfs/dbraw/zinc/49/73/72/445497372.db2.gz OMEZBZPXAFQKLB-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CCCCO1 ZINC000349344970 445567673 /nfs/dbraw/zinc/56/76/73/445567673.db2.gz HOPLIIHJKAEWRX-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP CCc1cccc(OCC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362831982 445571356 /nfs/dbraw/zinc/57/13/56/445571356.db2.gz VHLIGHCUOHPPAU-KRWDZBQOSA-N 2 2 331.460 1.524 20 0 EDADLP CCc1cccc(OCC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362831982 445571361 /nfs/dbraw/zinc/57/13/61/445571361.db2.gz VHLIGHCUOHPPAU-KRWDZBQOSA-N 2 2 331.460 1.524 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000349412084 445581179 /nfs/dbraw/zinc/58/11/79/445581179.db2.gz LVSCPIPECGRRKU-RDJZCZTQSA-N 2 2 332.448 1.159 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000356040233 445584627 /nfs/dbraw/zinc/58/46/27/445584627.db2.gz PIJTVCYFCSPGDO-GOSISDBHSA-N 2 2 348.491 1.571 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000353437234 445601167 /nfs/dbraw/zinc/60/11/67/445601167.db2.gz BPKGBCNNJCNWCT-XHDPSFHLSA-N 2 2 327.375 1.019 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000353437234 445601173 /nfs/dbraw/zinc/60/11/73/445601173.db2.gz BPKGBCNNJCNWCT-XHDPSFHLSA-N 2 2 327.375 1.019 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000360153693 445598314 /nfs/dbraw/zinc/59/83/14/445598314.db2.gz CSAXNTSRSWBYDK-UHFFFAOYSA-N 2 2 344.503 1.011 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000349717451 445653863 /nfs/dbraw/zinc/65/38/63/445653863.db2.gz VWRVBMSTJYZHHO-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000349717451 445653865 /nfs/dbraw/zinc/65/38/65/445653865.db2.gz VWRVBMSTJYZHHO-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000356178146 445663259 /nfs/dbraw/zinc/66/32/59/445663259.db2.gz CMJQPDILWFURNW-SJLPKXTDSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000356178146 445663262 /nfs/dbraw/zinc/66/32/62/445663262.db2.gz CMJQPDILWFURNW-SJLPKXTDSA-N 2 2 348.491 1.179 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356249527 445698778 /nfs/dbraw/zinc/69/87/78/445698778.db2.gz GNNRLNBEMJFUGG-IBGZPJMESA-N 2 2 342.443 1.106 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000356249527 445698783 /nfs/dbraw/zinc/69/87/83/445698783.db2.gz GNNRLNBEMJFUGG-IBGZPJMESA-N 2 2 342.443 1.106 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000356267077 445708452 /nfs/dbraw/zinc/70/84/52/445708452.db2.gz QMEHVBDPEHJONT-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000356267077 445708455 /nfs/dbraw/zinc/70/84/55/445708455.db2.gz QMEHVBDPEHJONT-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH+]1C ZINC000358675671 445709720 /nfs/dbraw/zinc/70/97/20/445709720.db2.gz JDEXGDULAPWPTD-JFIYKMOQSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH+]1C ZINC000358675671 445709723 /nfs/dbraw/zinc/70/97/23/445709723.db2.gz JDEXGDULAPWPTD-JFIYKMOQSA-N 2 2 331.460 1.438 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc(N)c2ccccc2n1 ZINC000361084885 445747935 /nfs/dbraw/zinc/74/79/35/445747935.db2.gz BVTYCPVDMPHAKX-KBRIMQKVSA-N 2 2 341.459 1.896 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1nc(N)c2ccccc2n1 ZINC000361084885 445747938 /nfs/dbraw/zinc/74/79/38/445747938.db2.gz BVTYCPVDMPHAKX-KBRIMQKVSA-N 2 2 341.459 1.896 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000363290688 445754319 /nfs/dbraw/zinc/75/43/19/445754319.db2.gz FRVPULKUKHTMBD-ZBFHGGJFSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000363290688 445754326 /nfs/dbraw/zinc/75/43/26/445754326.db2.gz FRVPULKUKHTMBD-ZBFHGGJFSA-N 2 2 342.447 1.891 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)[C@H]1C ZINC000353940507 445819290 /nfs/dbraw/zinc/81/92/90/445819290.db2.gz BUAVJBUFUQROAN-QAETUUGQSA-N 2 2 326.481 1.911 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)[C@H]1C ZINC000353940507 445819291 /nfs/dbraw/zinc/81/92/91/445819291.db2.gz BUAVJBUFUQROAN-QAETUUGQSA-N 2 2 326.481 1.911 20 0 EDADLP CN(Cc1nc(C(C)(C)C)no1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363481896 445824562 /nfs/dbraw/zinc/82/45/62/445824562.db2.gz WEZPHMVWYCUJPK-HNNXBMFYSA-N 2 2 335.496 1.967 20 0 EDADLP CN(Cc1nc(C(C)(C)C)no1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363481896 445824565 /nfs/dbraw/zinc/82/45/65/445824565.db2.gz WEZPHMVWYCUJPK-HNNXBMFYSA-N 2 2 335.496 1.967 20 0 EDADLP [NH3+]CCc1nc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cs1 ZINC000358875970 445825941 /nfs/dbraw/zinc/82/59/41/445825941.db2.gz BEBMPSIABUOJBN-UHFFFAOYSA-N 2 2 333.339 1.333 20 0 EDADLP CCN(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000361573111 445826300 /nfs/dbraw/zinc/82/63/00/445826300.db2.gz XNBWVYZZDSYAHU-MJGOQNOKSA-N 2 2 345.535 1.996 20 0 EDADLP CCN(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000361573111 445826306 /nfs/dbraw/zinc/82/63/06/445826306.db2.gz XNBWVYZZDSYAHU-MJGOQNOKSA-N 2 2 345.535 1.996 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)[C@@H](C)C1 ZINC000356508435 445831291 /nfs/dbraw/zinc/83/12/91/445831291.db2.gz SLPSYXVIPAUWBK-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)[C@@H](C)C1 ZINC000356508435 445831294 /nfs/dbraw/zinc/83/12/94/445831294.db2.gz SLPSYXVIPAUWBK-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)[C@@H](C)C1 ZINC000356508435 445831298 /nfs/dbraw/zinc/83/12/98/445831298.db2.gz SLPSYXVIPAUWBK-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)[C@@H](C)C1 ZINC000356508435 445831303 /nfs/dbraw/zinc/83/13/03/445831303.db2.gz SLPSYXVIPAUWBK-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CCCNC(=O)CCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000353837615 445777664 /nfs/dbraw/zinc/77/76/64/445777664.db2.gz CJBXERDWLAGHMV-UHFFFAOYSA-N 2 2 340.512 1.167 20 0 EDADLP CCCNC(=O)CCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000353837615 445777668 /nfs/dbraw/zinc/77/76/68/445777668.db2.gz CJBXERDWLAGHMV-UHFFFAOYSA-N 2 2 340.512 1.167 20 0 EDADLP OC[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)[C@H]1CCOC1 ZINC000358828945 445797303 /nfs/dbraw/zinc/79/73/03/445797303.db2.gz LJOWGNDQKSJAIM-STQMWFEESA-N 2 2 340.387 1.267 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361520014 445800620 /nfs/dbraw/zinc/80/06/20/445800620.db2.gz RDQWHQWAYOOGDO-GJZGRUSLSA-N 2 2 334.464 1.906 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000363459411 445813847 /nfs/dbraw/zinc/81/38/47/445813847.db2.gz LZOKRLVEUSGTIA-HNNXBMFYSA-N 2 2 335.496 1.827 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000363459411 445813849 /nfs/dbraw/zinc/81/38/49/445813849.db2.gz LZOKRLVEUSGTIA-HNNXBMFYSA-N 2 2 335.496 1.827 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccn1 ZINC000361616336 445848871 /nfs/dbraw/zinc/84/88/71/445848871.db2.gz LWKRARPRFBVNBK-GOSISDBHSA-N 2 2 340.427 1.344 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC([N@H+](C)CCO)CC3)cc2n1C ZINC000356542111 445851191 /nfs/dbraw/zinc/85/11/91/445851191.db2.gz NGRCHBRNZGZGTA-UHFFFAOYSA-N 2 2 330.432 1.410 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC([N@@H+](C)CCO)CC3)cc2n1C ZINC000356542111 445851193 /nfs/dbraw/zinc/85/11/93/445851193.db2.gz NGRCHBRNZGZGTA-UHFFFAOYSA-N 2 2 330.432 1.410 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000354008295 445851447 /nfs/dbraw/zinc/85/14/47/445851447.db2.gz SAOGLUKRMIZMOL-HNNXBMFYSA-N 2 2 333.480 1.185 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000354008295 445851451 /nfs/dbraw/zinc/85/14/51/445851451.db2.gz SAOGLUKRMIZMOL-HNNXBMFYSA-N 2 2 333.480 1.185 20 0 EDADLP Cn1cc[nH+]c1Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000358929827 445854319 /nfs/dbraw/zinc/85/43/19/445854319.db2.gz ZZWNORZBNJVEFJ-UHFFFAOYSA-N 2 2 335.411 1.583 20 0 EDADLP Cn1cc[nH+]c1Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000358929827 445854324 /nfs/dbraw/zinc/85/43/24/445854324.db2.gz ZZWNORZBNJVEFJ-UHFFFAOYSA-N 2 2 335.411 1.583 20 0 EDADLP CO[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364548980 445931384 /nfs/dbraw/zinc/93/13/84/445931384.db2.gz PTCAHGFPRHSSKQ-DJIMGWMZSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364548980 445931389 /nfs/dbraw/zinc/93/13/89/445931389.db2.gz PTCAHGFPRHSSKQ-DJIMGWMZSA-N 2 2 338.496 1.364 20 0 EDADLP C[NH+]1CCCC[C@@H]1CCC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000356630547 445897464 /nfs/dbraw/zinc/89/74/64/445897464.db2.gz ZWHGGPQRQBOBIP-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+]1CCCC[C@@H]1CCC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000356630547 445897465 /nfs/dbraw/zinc/89/74/65/445897465.db2.gz ZWHGGPQRQBOBIP-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000356630547 445897468 /nfs/dbraw/zinc/89/74/68/445897468.db2.gz ZWHGGPQRQBOBIP-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000356630547 445897471 /nfs/dbraw/zinc/89/74/71/445897471.db2.gz ZWHGGPQRQBOBIP-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP COC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000364280498 445907325 /nfs/dbraw/zinc/90/73/25/445907325.db2.gz RKYINLBIBJAHSJ-INIZCTEOSA-N 2 2 338.496 1.365 20 0 EDADLP COC1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000364280498 445907329 /nfs/dbraw/zinc/90/73/29/445907329.db2.gz RKYINLBIBJAHSJ-INIZCTEOSA-N 2 2 338.496 1.365 20 0 EDADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000354124355 445922169 /nfs/dbraw/zinc/92/21/69/445922169.db2.gz JYQJTAHRUSRPAM-YESZJQIVSA-N 2 2 325.497 1.724 20 0 EDADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000354124355 445922175 /nfs/dbraw/zinc/92/21/75/445922175.db2.gz JYQJTAHRUSRPAM-YESZJQIVSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CCC[N@H+](C)[C@H]3C)CC2)cc[nH+]1 ZINC000354168533 445965253 /nfs/dbraw/zinc/96/52/53/445965253.db2.gz COJFIBZWQLTXHX-ZFWWWQNUSA-N 2 2 332.452 1.099 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)[C@H]3C)CC2)cc[nH+]1 ZINC000354168533 445965261 /nfs/dbraw/zinc/96/52/61/445965261.db2.gz COJFIBZWQLTXHX-ZFWWWQNUSA-N 2 2 332.452 1.099 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000366035907 445974610 /nfs/dbraw/zinc/97/46/10/445974610.db2.gz XKEJVFATQVTGJZ-HNNXBMFYSA-N 2 2 333.480 1.314 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000366035907 445974616 /nfs/dbraw/zinc/97/46/16/445974616.db2.gz XKEJVFATQVTGJZ-HNNXBMFYSA-N 2 2 333.480 1.314 20 0 EDADLP Cn1cccc1C(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000354189298 445984298 /nfs/dbraw/zinc/98/42/98/445984298.db2.gz HUAASXGIZVMCRT-UHFFFAOYSA-N 2 2 346.475 1.274 20 0 EDADLP CN(C(=O)[C@H]1CCCc2n[nH]cc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366065878 445991181 /nfs/dbraw/zinc/99/11/81/445991181.db2.gz GVXNPRRPEJWOHW-CVEARBPZSA-N 2 2 345.491 1.457 20 0 EDADLP CN(C(=O)[C@H]1CCCc2n[nH]cc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366065878 445991185 /nfs/dbraw/zinc/99/11/85/445991185.db2.gz GVXNPRRPEJWOHW-CVEARBPZSA-N 2 2 345.491 1.457 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@H](O)c1ccccc1 ZINC000369135115 445946686 /nfs/dbraw/zinc/94/66/86/445946686.db2.gz SRELKFHHEYBICH-YTQUADARSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000369135115 445946692 /nfs/dbraw/zinc/94/66/92/445946692.db2.gz SRELKFHHEYBICH-YTQUADARSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000369135115 445946697 /nfs/dbraw/zinc/94/66/97/445946697.db2.gz SRELKFHHEYBICH-YTQUADARSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356700991 445949291 /nfs/dbraw/zinc/94/92/91/445949291.db2.gz GARVXWWTEXVDPR-NJAFHUGGSA-N 2 2 331.460 1.611 20 0 EDADLP c1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc(N2CCSCC2)[nH+]1 ZINC000372969618 445949849 /nfs/dbraw/zinc/94/98/49/445949849.db2.gz NYDBLMOXZRWFSM-JYJNAYRXSA-N 2 2 345.516 1.950 20 0 EDADLP c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc(N2CCSCC2)[nH+]1 ZINC000372969618 445949855 /nfs/dbraw/zinc/94/98/55/445949855.db2.gz NYDBLMOXZRWFSM-JYJNAYRXSA-N 2 2 345.516 1.950 20 0 EDADLP c1nc(N2CCSCC2)cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)[nH+]1 ZINC000372969618 445949862 /nfs/dbraw/zinc/94/98/62/445949862.db2.gz NYDBLMOXZRWFSM-JYJNAYRXSA-N 2 2 345.516 1.950 20 0 EDADLP c1nc(N2CCSCC2)cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)[nH+]1 ZINC000372969618 445949866 /nfs/dbraw/zinc/94/98/66/445949866.db2.gz NYDBLMOXZRWFSM-JYJNAYRXSA-N 2 2 345.516 1.950 20 0 EDADLP C[C@@H](NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000369253136 446024669 /nfs/dbraw/zinc/02/46/69/446024669.db2.gz RMJDAPUZYGYUHX-CABCVRRESA-N 2 2 331.464 1.737 20 0 EDADLP C[C@@H](NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000369253136 446024673 /nfs/dbraw/zinc/02/46/73/446024673.db2.gz RMJDAPUZYGYUHX-CABCVRRESA-N 2 2 331.464 1.737 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCN2CC[NH+](CC)CC2)C1 ZINC000373099463 446025955 /nfs/dbraw/zinc/02/59/55/446025955.db2.gz NCCCXIUKCVFBIX-KRWDZBQOSA-N 2 2 347.507 1.637 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CC[NH+]2CCN(CC)CC2)C1 ZINC000373099463 446025959 /nfs/dbraw/zinc/02/59/59/446025959.db2.gz NCCCXIUKCVFBIX-KRWDZBQOSA-N 2 2 347.507 1.637 20 0 EDADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000354251109 446045483 /nfs/dbraw/zinc/04/54/83/446045483.db2.gz CEVHGGNAGFITCR-OALUTQOASA-N 2 2 349.519 1.868 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000354251109 446045488 /nfs/dbraw/zinc/04/54/88/446045488.db2.gz CEVHGGNAGFITCR-OALUTQOASA-N 2 2 349.519 1.868 20 0 EDADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000354251109 446045491 /nfs/dbraw/zinc/04/54/91/446045491.db2.gz CEVHGGNAGFITCR-OALUTQOASA-N 2 2 349.519 1.868 20 0 EDADLP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000354251109 446045494 /nfs/dbraw/zinc/04/54/94/446045494.db2.gz CEVHGGNAGFITCR-OALUTQOASA-N 2 2 349.519 1.868 20 0 EDADLP CC(C)[NH+](CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)C(C)C ZINC000366084280 446003299 /nfs/dbraw/zinc/00/32/99/446003299.db2.gz VSVXJTBZTTZGIV-INIZCTEOSA-N 2 2 326.485 1.268 20 0 EDADLP CC(C)[NH+](CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)C(C)C ZINC000366084280 446003305 /nfs/dbraw/zinc/00/33/05/446003305.db2.gz VSVXJTBZTTZGIV-INIZCTEOSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000356772919 446003266 /nfs/dbraw/zinc/00/32/66/446003266.db2.gz NYGPBXNQIILZJB-CYBMUJFWSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000356772919 446003268 /nfs/dbraw/zinc/00/32/68/446003268.db2.gz NYGPBXNQIILZJB-CYBMUJFWSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H](O)CC1CCCC1 ZINC000365066145 446004244 /nfs/dbraw/zinc/00/42/44/446004244.db2.gz HAAWTMMDRXOVHF-QRQLOZEOSA-N 2 2 339.524 1.264 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H](O)CC1CCCC1 ZINC000365066145 446004250 /nfs/dbraw/zinc/00/42/50/446004250.db2.gz HAAWTMMDRXOVHF-QRQLOZEOSA-N 2 2 339.524 1.264 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000365066145 446004258 /nfs/dbraw/zinc/00/42/58/446004258.db2.gz HAAWTMMDRXOVHF-QRQLOZEOSA-N 2 2 339.524 1.264 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000356773812 446004620 /nfs/dbraw/zinc/00/46/20/446004620.db2.gz PGOPLPWAKZJEKG-KRWDZBQOSA-N 2 2 341.496 1.104 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000356773812 446004623 /nfs/dbraw/zinc/00/46/23/446004623.db2.gz PGOPLPWAKZJEKG-KRWDZBQOSA-N 2 2 341.496 1.104 20 0 EDADLP C[C@H](CNC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1)C[NH+]1CCOCC1 ZINC000369236558 446012321 /nfs/dbraw/zinc/01/23/21/446012321.db2.gz OOKGJUTZBRUJFJ-HZPDHXFCSA-N 2 2 349.479 1.055 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@@H](C)O1 ZINC000583125006 326005363 /nfs/dbraw/zinc/00/53/63/326005363.db2.gz LVFJHZAEOCTZHS-IKIFYQGPSA-N 2 2 326.481 1.250 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](C)C(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583218783 326029322 /nfs/dbraw/zinc/02/93/22/326029322.db2.gz KBOCIZHXHXFRCJ-OWCLPIDISA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](C)C(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583218783 326029324 /nfs/dbraw/zinc/02/93/24/326029324.db2.gz KBOCIZHXHXFRCJ-OWCLPIDISA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583218783 326029325 /nfs/dbraw/zinc/02/93/25/326029325.db2.gz KBOCIZHXHXFRCJ-OWCLPIDISA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583218783 326029328 /nfs/dbraw/zinc/02/93/28/326029328.db2.gz KBOCIZHXHXFRCJ-OWCLPIDISA-N 2 2 325.497 1.673 20 0 EDADLP Cc1cc([C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2cccnc2)ccc1F ZINC000583558657 326094760 /nfs/dbraw/zinc/09/47/60/326094760.db2.gz GOXIWLHFRFHMHQ-LJQANCHMSA-N 2 2 342.418 1.640 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cn1 ZINC000365158355 446059738 /nfs/dbraw/zinc/05/97/38/446059738.db2.gz BKYCJDQLIZVBKK-MSOLQXFVSA-N 2 2 348.491 1.507 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cn1 ZINC000365158355 446059740 /nfs/dbraw/zinc/05/97/40/446059740.db2.gz BKYCJDQLIZVBKK-MSOLQXFVSA-N 2 2 348.491 1.507 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C1 ZINC000583639952 326111188 /nfs/dbraw/zinc/11/11/88/326111188.db2.gz WNJJBWQZMJFSJS-HOTGVXAUSA-N 2 2 325.497 1.581 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C1 ZINC000583639952 326111190 /nfs/dbraw/zinc/11/11/90/326111190.db2.gz WNJJBWQZMJFSJS-HOTGVXAUSA-N 2 2 325.497 1.581 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn21 ZINC000583861374 326153742 /nfs/dbraw/zinc/15/37/42/326153742.db2.gz TWRLGTSTQAJQMP-CWRNSKLLSA-N 2 2 327.432 1.912 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000583921234 326166277 /nfs/dbraw/zinc/16/62/77/326166277.db2.gz GLEOBPXHIZJEKK-YESZJQIVSA-N 2 2 339.443 1.815 20 0 EDADLP Cc1nc(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)sc1C ZINC000584108720 326201009 /nfs/dbraw/zinc/20/10/09/326201009.db2.gz PRZZAKRNYNWIQL-JMSVASOKSA-N 2 2 327.494 1.362 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000584251119 326229522 /nfs/dbraw/zinc/22/95/22/326229522.db2.gz GMEYZUNCZKWGDB-SFHVURJKSA-N 2 2 345.491 1.783 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000584251119 326229524 /nfs/dbraw/zinc/22/95/24/326229524.db2.gz GMEYZUNCZKWGDB-SFHVURJKSA-N 2 2 345.491 1.783 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000369312025 446065470 /nfs/dbraw/zinc/06/54/70/446065470.db2.gz KEBOYDYJXWFCRQ-YQQAZPJKSA-N 2 2 348.447 1.354 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCc1ccccc1 ZINC000361924161 446073236 /nfs/dbraw/zinc/07/32/36/446073236.db2.gz DYDJEDLZUYCVIE-QUCCMNQESA-N 2 2 331.504 1.956 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCc1ccccc1 ZINC000361924161 446073239 /nfs/dbraw/zinc/07/32/39/446073239.db2.gz DYDJEDLZUYCVIE-QUCCMNQESA-N 2 2 331.504 1.956 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCc1ccccc1 ZINC000361924161 446073245 /nfs/dbraw/zinc/07/32/45/446073245.db2.gz DYDJEDLZUYCVIE-QUCCMNQESA-N 2 2 331.504 1.956 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCc1ccccc1 ZINC000361924161 446073250 /nfs/dbraw/zinc/07/32/50/446073250.db2.gz DYDJEDLZUYCVIE-QUCCMNQESA-N 2 2 331.504 1.956 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000359244525 446077685 /nfs/dbraw/zinc/07/76/85/446077685.db2.gz PUUJHZRRYNBOCC-UHFFFAOYSA-N 2 2 331.420 1.429 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000359244525 446077690 /nfs/dbraw/zinc/07/76/90/446077690.db2.gz PUUJHZRRYNBOCC-UHFFFAOYSA-N 2 2 331.420 1.429 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccnn3Cc3cccs3)C[C@@H]12 ZINC000351480202 446080660 /nfs/dbraw/zinc/08/06/60/446080660.db2.gz ULNKLTSVRNOTPG-NWANDNLSSA-N 2 2 345.472 1.601 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccnn3Cc3cccs3)C[C@@H]12 ZINC000351480202 446080664 /nfs/dbraw/zinc/08/06/64/446080664.db2.gz ULNKLTSVRNOTPG-NWANDNLSSA-N 2 2 345.472 1.601 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000369347857 446091562 /nfs/dbraw/zinc/09/15/62/446091562.db2.gz RAYSLUUFOGJHHC-MRXNPFEDSA-N 2 2 347.507 1.432 20 0 EDADLP COCCN(CC(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369374608 446113001 /nfs/dbraw/zinc/11/30/01/446113001.db2.gz TXQSLKBDBYGKOR-ZDUSSCGKSA-N 2 2 348.438 1.078 20 0 EDADLP COCCN(CC(F)F)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369374608 446113004 /nfs/dbraw/zinc/11/30/04/446113004.db2.gz TXQSLKBDBYGKOR-ZDUSSCGKSA-N 2 2 348.438 1.078 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359285271 446119727 /nfs/dbraw/zinc/11/97/27/446119727.db2.gz MFCNHARHBZZGBF-ZIAGYGMSSA-N 2 2 337.851 1.328 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347234 446166287 /nfs/dbraw/zinc/16/62/87/446166287.db2.gz KZQSBBUOGSJSEP-IRXDYDNUSA-N 2 2 349.479 1.416 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359312326 446142990 /nfs/dbraw/zinc/14/29/90/446142990.db2.gz UYIWYIGLVULSSV-BMFZPTHFSA-N 2 2 326.444 1.366 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359312326 446142995 /nfs/dbraw/zinc/14/29/95/446142995.db2.gz UYIWYIGLVULSSV-BMFZPTHFSA-N 2 2 326.444 1.366 20 0 EDADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000351556434 446154666 /nfs/dbraw/zinc/15/46/66/446154666.db2.gz OIFIILDZRQLKTJ-MRXNPFEDSA-N 2 2 340.383 1.681 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000366438980 446213238 /nfs/dbraw/zinc/21/32/38/446213238.db2.gz NRJGFOBUEZIVJT-OAHLLOKOSA-N 2 2 349.479 1.249 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000366438980 446213241 /nfs/dbraw/zinc/21/32/41/446213241.db2.gz NRJGFOBUEZIVJT-OAHLLOKOSA-N 2 2 349.479 1.249 20 0 EDADLP Cn1ncc2c1nc(N1CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC1)[nH+]c2N ZINC000365459642 446217917 /nfs/dbraw/zinc/21/79/17/446217917.db2.gz LATAZOXZSFPVFY-GFCCVEGCSA-N 2 2 341.463 1.646 20 0 EDADLP Cn1ncc2c1nc(N1CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC1)[nH+]c2N ZINC000365459642 446217923 /nfs/dbraw/zinc/21/79/23/446217923.db2.gz LATAZOXZSFPVFY-GFCCVEGCSA-N 2 2 341.463 1.646 20 0 EDADLP Cn1ncc2c1nc(NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)[nH+]c2N ZINC000365463377 446219557 /nfs/dbraw/zinc/21/95/57/446219557.db2.gz QVLNIOCOTRQCCL-MFKMUULPSA-N 2 2 343.460 2.112 20 0 EDADLP Cn1ncc2c1nc(NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)[nH+]c2N ZINC000365463377 446219562 /nfs/dbraw/zinc/21/95/62/446219562.db2.gz QVLNIOCOTRQCCL-MFKMUULPSA-N 2 2 343.460 2.112 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000365468651 446222108 /nfs/dbraw/zinc/22/21/08/446222108.db2.gz FJYXHNANIQDZKS-HOTGVXAUSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000365468651 446222113 /nfs/dbraw/zinc/22/21/13/446222113.db2.gz FJYXHNANIQDZKS-HOTGVXAUSA-N 2 2 331.464 1.502 20 0 EDADLP CC(C)c1cc(NCC[NH+]2CCC([NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000362130285 446227544 /nfs/dbraw/zinc/22/75/44/446227544.db2.gz PLXGXLRVBVTDDP-UHFFFAOYSA-N 3 2 334.512 2.104 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000373538672 446253296 /nfs/dbraw/zinc/25/32/96/446253296.db2.gz VUTZEODUECMBDB-IRXDYDNUSA-N 2 2 328.416 1.094 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000373538672 446253298 /nfs/dbraw/zinc/25/32/98/446253298.db2.gz VUTZEODUECMBDB-IRXDYDNUSA-N 2 2 328.416 1.094 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000373538672 446253300 /nfs/dbraw/zinc/25/33/00/446253300.db2.gz VUTZEODUECMBDB-IRXDYDNUSA-N 2 2 328.416 1.094 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000373538672 446253302 /nfs/dbraw/zinc/25/33/02/446253302.db2.gz VUTZEODUECMBDB-IRXDYDNUSA-N 2 2 328.416 1.094 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366555078 446260401 /nfs/dbraw/zinc/26/04/01/446260401.db2.gz LMXXWIRZMFDJKW-QGZVFWFLSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)[C@H](C)C1 ZINC000373574625 446266996 /nfs/dbraw/zinc/26/69/96/446266996.db2.gz IMDDLBXMEBATFG-IXDOHACOSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)[C@H](C)C1 ZINC000373574625 446266999 /nfs/dbraw/zinc/26/69/99/446266999.db2.gz IMDDLBXMEBATFG-IXDOHACOSA-N 2 2 346.475 1.212 20 0 EDADLP C[N@H+](CCN1CC[NH+]([C@H]2CCCNC2=O)CC1)Cc1ccccc1 ZINC000362248727 446284813 /nfs/dbraw/zinc/28/48/13/446284813.db2.gz DXYRIRLYSFFBHC-SFHVURJKSA-N 2 2 330.476 1.015 20 0 EDADLP C[N@@H+](CCN1CC[NH+]([C@H]2CCCNC2=O)CC1)Cc1ccccc1 ZINC000362248727 446284815 /nfs/dbraw/zinc/28/48/15/446284815.db2.gz DXYRIRLYSFFBHC-SFHVURJKSA-N 2 2 330.476 1.015 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000359560426 446291150 /nfs/dbraw/zinc/29/11/50/446291150.db2.gz GSDHRJFPAWQBIG-NVXWUHKLSA-N 2 2 328.416 1.564 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000359560426 446291152 /nfs/dbraw/zinc/29/11/52/446291152.db2.gz GSDHRJFPAWQBIG-NVXWUHKLSA-N 2 2 328.416 1.564 20 0 EDADLP Cc1ccc(N2CCC[C@H](C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)C2)[nH+]c1 ZINC000370499469 446307885 /nfs/dbraw/zinc/30/78/85/446307885.db2.gz MDPXLFOUKBTYMH-IRXDYDNUSA-N 2 2 346.475 1.131 20 0 EDADLP Cc1ccc(N2CCC[C@H](C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)C2)[nH+]c1 ZINC000370499469 446307888 /nfs/dbraw/zinc/30/78/88/446307888.db2.gz MDPXLFOUKBTYMH-IRXDYDNUSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1)[NH+]1CCSCC1 ZINC000366706198 446317411 /nfs/dbraw/zinc/31/74/11/446317411.db2.gz BOOFMMZBQOUQJA-ZIAGYGMSSA-N 2 2 329.535 1.073 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000376128044 446346248 /nfs/dbraw/zinc/34/62/48/446346248.db2.gz DVCZYFZTQUOLLM-UHFFFAOYSA-N 2 2 347.507 1.949 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C[C@@H]1[NH+](C)C ZINC000370613726 446358690 /nfs/dbraw/zinc/35/86/90/446358690.db2.gz FMVQJKCNPMVNNK-HRCADAONSA-N 2 2 348.516 1.802 20 0 EDADLP CN(C(=O)c1cncc(Cl)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370648133 446372687 /nfs/dbraw/zinc/37/26/87/446372687.db2.gz NTZUZAADVNCNDJ-CYBMUJFWSA-N 2 2 337.855 1.371 20 0 EDADLP CN(C(=O)c1cncc(Cl)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370648133 446372689 /nfs/dbraw/zinc/37/26/89/446372689.db2.gz NTZUZAADVNCNDJ-CYBMUJFWSA-N 2 2 337.855 1.371 20 0 EDADLP C[NH2+]CCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417838109 446375309 /nfs/dbraw/zinc/37/53/09/446375309.db2.gz VTFSGZHLMXLFDY-QWHCGFSZSA-N 2 2 326.466 1.029 20 0 EDADLP C[NH2+]CCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417838109 446375314 /nfs/dbraw/zinc/37/53/14/446375314.db2.gz VTFSGZHLMXLFDY-QWHCGFSZSA-N 2 2 326.466 1.029 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)NC(C)(C)C ZINC000370653871 446375423 /nfs/dbraw/zinc/37/54/23/446375423.db2.gz UQIQCIKSZFWLOL-QKPAOTATSA-N 2 2 325.497 1.769 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)NC(C)(C)C ZINC000370653871 446375425 /nfs/dbraw/zinc/37/54/25/446375425.db2.gz UQIQCIKSZFWLOL-QKPAOTATSA-N 2 2 325.497 1.769 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417960459 446400286 /nfs/dbraw/zinc/40/02/86/446400286.db2.gz XQLHFBYNSMUYMH-WKPIXPDZSA-N 2 2 326.391 1.699 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417960459 446400289 /nfs/dbraw/zinc/40/02/89/446400289.db2.gz XQLHFBYNSMUYMH-WKPIXPDZSA-N 2 2 326.391 1.699 20 0 EDADLP Cc1ccc(C2CC[NH+]([C@H](C)c3nc(N)nc(N(C)C)n3)CC2)c[nH+]1 ZINC000374663299 446384309 /nfs/dbraw/zinc/38/43/09/446384309.db2.gz PINJIMMGIALYEW-CYBMUJFWSA-N 2 2 341.463 2.164 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000417940507 446393769 /nfs/dbraw/zinc/39/37/69/446393769.db2.gz XYFMIERAPCMMFC-STQMWFEESA-N 2 2 346.809 1.978 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000417940507 446393771 /nfs/dbraw/zinc/39/37/71/446393771.db2.gz XYFMIERAPCMMFC-STQMWFEESA-N 2 2 346.809 1.978 20 0 EDADLP NC(=O)C1([NH+]2CCN(C(=O)CCCCCC[NH3+])CC2)CCCCC1 ZINC000370780300 446437874 /nfs/dbraw/zinc/43/78/74/446437874.db2.gz NISRKLCOXOBUKN-UHFFFAOYSA-N 2 2 338.496 1.228 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@H]1C[NH2+]CCO1 ZINC000420279615 446448187 /nfs/dbraw/zinc/44/81/87/446448187.db2.gz KBTDIWKADBLBNC-CYBMUJFWSA-N 2 2 329.400 1.542 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000420292305 446456349 /nfs/dbraw/zinc/45/63/49/446456349.db2.gz PEFKGXMUPDZECI-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000420292305 446456356 /nfs/dbraw/zinc/45/63/56/446456356.db2.gz PEFKGXMUPDZECI-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420301098 446463507 /nfs/dbraw/zinc/46/35/07/446463507.db2.gz DPFWTACILKCLGN-XHSDSOJGSA-N 2 2 345.443 1.779 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420301098 446463513 /nfs/dbraw/zinc/46/35/13/446463513.db2.gz DPFWTACILKCLGN-XHSDSOJGSA-N 2 2 345.443 1.779 20 0 EDADLP CN(C(=O)Cc1ccc(F)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370828730 446464477 /nfs/dbraw/zinc/46/44/77/446464477.db2.gz BCLIYWZOBQBUJS-SFHVURJKSA-N 2 2 333.451 1.995 20 0 EDADLP CN(C(=O)Cc1ccc(F)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370828730 446464481 /nfs/dbraw/zinc/46/44/81/446464481.db2.gz BCLIYWZOBQBUJS-SFHVURJKSA-N 2 2 333.451 1.995 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420306265 446469225 /nfs/dbraw/zinc/46/92/25/446469225.db2.gz AKBLZXGIGVUTOQ-CABCVRRESA-N 2 2 325.453 1.134 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420306265 446469231 /nfs/dbraw/zinc/46/92/31/446469231.db2.gz AKBLZXGIGVUTOQ-CABCVRRESA-N 2 2 325.453 1.134 20 0 EDADLP CS(=O)(=O)N(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Cc1ccccc1 ZINC000420306346 446470469 /nfs/dbraw/zinc/47/04/69/446470469.db2.gz ATMSATMZKUBJSK-IRXDYDNUSA-N 2 2 337.489 1.132 20 0 EDADLP CS(=O)(=O)N(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Cc1ccccc1 ZINC000420306346 446470475 /nfs/dbraw/zinc/47/04/75/446470475.db2.gz ATMSATMZKUBJSK-IRXDYDNUSA-N 2 2 337.489 1.132 20 0 EDADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000370849437 446480383 /nfs/dbraw/zinc/48/03/83/446480383.db2.gz HVYLWLGLBBHSEZ-KRWDZBQOSA-N 2 2 346.475 1.135 20 0 EDADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000370849437 446480388 /nfs/dbraw/zinc/48/03/88/446480388.db2.gz HVYLWLGLBBHSEZ-KRWDZBQOSA-N 2 2 346.475 1.135 20 0 EDADLP COc1nccc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000367039861 446482604 /nfs/dbraw/zinc/48/26/04/446482604.db2.gz BBVWFJRTPPCKSK-CYBMUJFWSA-N 2 2 348.451 1.117 20 0 EDADLP COc1nccc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000367039861 446482608 /nfs/dbraw/zinc/48/26/08/446482608.db2.gz BBVWFJRTPPCKSK-CYBMUJFWSA-N 2 2 348.451 1.117 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411321181 446491644 /nfs/dbraw/zinc/49/16/44/446491644.db2.gz HENCTTFFDHTJEH-RCCFBDPRSA-N 2 2 331.435 1.920 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411321181 446491651 /nfs/dbraw/zinc/49/16/51/446491651.db2.gz HENCTTFFDHTJEH-RCCFBDPRSA-N 2 2 331.435 1.920 20 0 EDADLP C[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)C1CC([NH3+])C1 ZINC000420330727 446501246 /nfs/dbraw/zinc/50/12/46/446501246.db2.gz LSZUILIRXCEHIE-UHFFFAOYSA-N 2 2 331.460 1.616 20 0 EDADLP C[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)C1CC([NH3+])C1 ZINC000420330727 446501249 /nfs/dbraw/zinc/50/12/49/446501249.db2.gz LSZUILIRXCEHIE-UHFFFAOYSA-N 2 2 331.460 1.616 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420332902 446502755 /nfs/dbraw/zinc/50/27/55/446502755.db2.gz NNLFLFSHBXJPSG-UHFFFAOYSA-N 2 2 325.840 1.599 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420332902 446502762 /nfs/dbraw/zinc/50/27/62/446502762.db2.gz NNLFLFSHBXJPSG-UHFFFAOYSA-N 2 2 325.840 1.599 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000376450896 446505664 /nfs/dbraw/zinc/50/56/64/446505664.db2.gz UFACQLRTQKWNJY-HOTGVXAUSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000376450896 446505667 /nfs/dbraw/zinc/50/56/67/446505667.db2.gz UFACQLRTQKWNJY-HOTGVXAUSA-N 2 2 331.464 1.502 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCCC2)CCO1 ZINC000432806591 446507510 /nfs/dbraw/zinc/50/75/10/446507510.db2.gz POHQAFAYEGLSCB-ZBFHGGJFSA-N 2 2 335.452 1.425 20 0 EDADLP CCCCNc1cc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)nc(N)[nH+]1 ZINC000376464678 446512858 /nfs/dbraw/zinc/51/28/58/446512858.db2.gz TWNNOKSPUXZLMK-CABCVRRESA-N 2 2 348.495 1.696 20 0 EDADLP CCCCNc1cc(N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)nc(N)[nH+]1 ZINC000376464678 446512865 /nfs/dbraw/zinc/51/28/65/446512865.db2.gz TWNNOKSPUXZLMK-CABCVRRESA-N 2 2 348.495 1.696 20 0 EDADLP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420387640 446562051 /nfs/dbraw/zinc/56/20/51/446562051.db2.gz WBPOSUGGPDNIBP-WBVHZDCISA-N 2 2 343.431 1.596 20 0 EDADLP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420387640 446562058 /nfs/dbraw/zinc/56/20/58/446562058.db2.gz WBPOSUGGPDNIBP-WBVHZDCISA-N 2 2 343.431 1.596 20 0 EDADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420388053 446562762 /nfs/dbraw/zinc/56/27/62/446562762.db2.gz KSOMFGICHNCSQO-MPGHIAIKSA-N 2 2 333.476 1.864 20 0 EDADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420388053 446562768 /nfs/dbraw/zinc/56/27/68/446562768.db2.gz KSOMFGICHNCSQO-MPGHIAIKSA-N 2 2 333.476 1.864 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000418499411 446566221 /nfs/dbraw/zinc/56/62/21/446566221.db2.gz OAHSASFKQBAIDJ-INIZCTEOSA-N 2 2 336.867 1.905 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423399948 446518193 /nfs/dbraw/zinc/51/81/93/446518193.db2.gz WDUZCCRUKSPIOE-NHYWBVRUSA-N 2 2 327.375 1.192 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423399948 446518201 /nfs/dbraw/zinc/51/82/01/446518201.db2.gz WDUZCCRUKSPIOE-NHYWBVRUSA-N 2 2 327.375 1.192 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420353188 446531546 /nfs/dbraw/zinc/53/15/46/446531546.db2.gz BMDQKFGTFPNZNA-OAHLLOKOSA-N 2 2 333.432 1.698 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1C ZINC000420352442 446531885 /nfs/dbraw/zinc/53/18/85/446531885.db2.gz AGDMCRLAGZNAFV-CQSZACIVSA-N 2 2 335.448 1.969 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420354703 446534141 /nfs/dbraw/zinc/53/41/41/446534141.db2.gz BIHRFRBFTKDLDA-FXRXJOCMSA-N 3 2 332.492 1.382 20 0 EDADLP CC(C)n1ccnc1C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000367370519 446539963 /nfs/dbraw/zinc/53/99/63/446539963.db2.gz LVOBZAXQPRYFQA-IAGOWNOFSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccnc1C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000367370519 446539966 /nfs/dbraw/zinc/53/99/66/446539966.db2.gz LVOBZAXQPRYFQA-IAGOWNOFSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000367370519 446539970 /nfs/dbraw/zinc/53/99/70/446539970.db2.gz LVOBZAXQPRYFQA-IAGOWNOFSA-N 2 2 347.507 1.886 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000420370072 446548723 /nfs/dbraw/zinc/54/87/23/446548723.db2.gz CEKARCPNYWXISE-KBPBESRZSA-N 2 2 339.867 1.752 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000420370072 446548732 /nfs/dbraw/zinc/54/87/32/446548732.db2.gz CEKARCPNYWXISE-KBPBESRZSA-N 2 2 339.867 1.752 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(C(=O)N(C)C)cc1 ZINC000453257517 446551948 /nfs/dbraw/zinc/55/19/48/446551948.db2.gz HBIDMQARWRRTOF-MAUKXSAKSA-N 2 2 333.476 1.886 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(C(=O)N(C)C)cc1 ZINC000453257517 446551956 /nfs/dbraw/zinc/55/19/56/446551956.db2.gz HBIDMQARWRRTOF-MAUKXSAKSA-N 2 2 333.476 1.886 20 0 EDADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420379005 446554315 /nfs/dbraw/zinc/55/43/15/446554315.db2.gz ACPPWNARWRDUTH-IUODEOHRSA-N 2 2 325.840 1.394 20 0 EDADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420379005 446554321 /nfs/dbraw/zinc/55/43/21/446554321.db2.gz ACPPWNARWRDUTH-IUODEOHRSA-N 2 2 325.840 1.394 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423506494 446557618 /nfs/dbraw/zinc/55/76/18/446557618.db2.gz GZXXSYDOVYBJIG-GXSJLCMTSA-N 2 2 330.295 1.991 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)NCCCC[NH3+] ZINC000418506536 446571599 /nfs/dbraw/zinc/57/15/99/446571599.db2.gz GWZRHJXAZNBVDC-IRXDYDNUSA-N 2 2 334.464 1.439 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)NCCCC[NH3+] ZINC000418506536 446571603 /nfs/dbraw/zinc/57/16/03/446571603.db2.gz GWZRHJXAZNBVDC-IRXDYDNUSA-N 2 2 334.464 1.439 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(=O)OC ZINC000420404724 446578177 /nfs/dbraw/zinc/57/81/77/446578177.db2.gz SKCCPWBVENFYAY-HWMZRRJGSA-N 2 2 339.480 1.154 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(=O)OC ZINC000420404724 446578183 /nfs/dbraw/zinc/57/81/83/446578183.db2.gz SKCCPWBVENFYAY-HWMZRRJGSA-N 2 2 339.480 1.154 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000371026827 446584152 /nfs/dbraw/zinc/58/41/52/446584152.db2.gz XEJWDDBKMALANQ-HNNXBMFYSA-N 2 2 342.509 1.800 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000371026827 446584154 /nfs/dbraw/zinc/58/41/54/446584154.db2.gz XEJWDDBKMALANQ-HNNXBMFYSA-N 2 2 342.509 1.800 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433577000 446588360 /nfs/dbraw/zinc/58/83/60/446588360.db2.gz XGOZKKUAVGUOLD-LGWLGOQQSA-N 2 2 347.463 1.422 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433577000 446588368 /nfs/dbraw/zinc/58/83/68/446588368.db2.gz XGOZKKUAVGUOLD-LGWLGOQQSA-N 2 2 347.463 1.422 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418590569 446605459 /nfs/dbraw/zinc/60/54/59/446605459.db2.gz LBYFXUCMFQJQNQ-NXHRZFHOSA-N 2 2 346.475 1.279 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418590569 446605464 /nfs/dbraw/zinc/60/54/64/446605464.db2.gz LBYFXUCMFQJQNQ-NXHRZFHOSA-N 2 2 346.475 1.279 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423679080 446638316 /nfs/dbraw/zinc/63/83/16/446638316.db2.gz SXZHGZJVSBASFB-OALUTQOASA-N 2 2 343.471 1.633 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423679080 446638322 /nfs/dbraw/zinc/63/83/22/446638322.db2.gz SXZHGZJVSBASFB-OALUTQOASA-N 2 2 343.471 1.633 20 0 EDADLP CCO[C@@H]1C[C@@H]1C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000376681479 446647442 /nfs/dbraw/zinc/64/74/42/446647442.db2.gz RELWUBLHTFHXEH-ARFHVFGLSA-N 2 2 346.475 1.799 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000418735724 446661246 /nfs/dbraw/zinc/66/12/46/446661246.db2.gz UFINQLKXSDPPFE-KBPBESRZSA-N 2 2 330.423 1.501 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000376713219 446669464 /nfs/dbraw/zinc/66/94/64/446669464.db2.gz UWBRXLHCLPTZMP-XWTMOSNGSA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000376713219 446669470 /nfs/dbraw/zinc/66/94/70/446669470.db2.gz UWBRXLHCLPTZMP-XWTMOSNGSA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376713219 446669474 /nfs/dbraw/zinc/66/94/74/446669474.db2.gz UWBRXLHCLPTZMP-XWTMOSNGSA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376713219 446669482 /nfs/dbraw/zinc/66/94/82/446669482.db2.gz UWBRXLHCLPTZMP-XWTMOSNGSA-N 2 2 335.492 1.430 20 0 EDADLP COC[C@@]1(CNC(=O)NCCCCNc2cccc[nH+]2)CCC[NH2+]1 ZINC000418628732 446621193 /nfs/dbraw/zinc/62/11/93/446621193.db2.gz CNUAZJSLRJXIDM-KRWDZBQOSA-N 2 2 335.452 1.342 20 0 EDADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371105396 446630884 /nfs/dbraw/zinc/63/08/84/446630884.db2.gz CLDUCOFPOFODFX-QGZVFWFLSA-N 2 2 347.459 1.262 20 0 EDADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371105396 446630888 /nfs/dbraw/zinc/63/08/88/446630888.db2.gz CLDUCOFPOFODFX-QGZVFWFLSA-N 2 2 347.459 1.262 20 0 EDADLP COC(=O)CNC(=O)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371105396 446630894 /nfs/dbraw/zinc/63/08/94/446630894.db2.gz CLDUCOFPOFODFX-QGZVFWFLSA-N 2 2 347.459 1.262 20 0 EDADLP COC(=O)CNC(=O)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371105396 446630900 /nfs/dbraw/zinc/63/09/00/446630900.db2.gz CLDUCOFPOFODFX-QGZVFWFLSA-N 2 2 347.459 1.262 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000371114831 446635255 /nfs/dbraw/zinc/63/52/55/446635255.db2.gz ZFLXZHXDQPFUTR-MRXNPFEDSA-N 2 2 334.464 1.766 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC1CCOCC1 ZINC000371114831 446635264 /nfs/dbraw/zinc/63/52/64/446635264.db2.gz ZFLXZHXDQPFUTR-MRXNPFEDSA-N 2 2 334.464 1.766 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000418772155 446691560 /nfs/dbraw/zinc/69/15/60/446691560.db2.gz UMEKKJRUYXTXSS-KBPBESRZSA-N 2 2 330.423 1.359 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)C3([NH3+])CCCC3)CC2)cn1 ZINC000423765017 446692497 /nfs/dbraw/zinc/69/24/97/446692497.db2.gz WODCBAYNMMWYKG-UHFFFAOYSA-N 2 2 333.480 1.599 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)C3([NH3+])CCCC3)CC2)cn1 ZINC000423765017 446692502 /nfs/dbraw/zinc/69/25/02/446692502.db2.gz WODCBAYNMMWYKG-UHFFFAOYSA-N 2 2 333.480 1.599 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)cn1 ZINC000423764561 446693244 /nfs/dbraw/zinc/69/32/44/446693244.db2.gz WGDDOKKYVTUINY-IBGZPJMESA-N 2 2 341.459 1.329 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)cn1 ZINC000423764561 446693245 /nfs/dbraw/zinc/69/32/45/446693245.db2.gz WGDDOKKYVTUINY-IBGZPJMESA-N 2 2 341.459 1.329 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000368200263 446704487 /nfs/dbraw/zinc/70/44/87/446704487.db2.gz CGQLTNFIXVSWBE-FVQBIDKESA-N 2 2 335.452 1.109 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000368200263 446704495 /nfs/dbraw/zinc/70/44/95/446704495.db2.gz CGQLTNFIXVSWBE-FVQBIDKESA-N 2 2 335.452 1.109 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)c1 ZINC000423817315 446706813 /nfs/dbraw/zinc/70/68/13/446706813.db2.gz YTHDVSYHBCAGLU-QGZVFWFLSA-N 2 2 349.475 1.592 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C)nc(OC)n3)CC2)CC1 ZINC000420626967 446709485 /nfs/dbraw/zinc/70/94/85/446709485.db2.gz MTWLBFYDTNEKRD-UHFFFAOYSA-N 2 2 333.480 1.790 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C)nc(OC)n3)CC2)CC1 ZINC000420626967 446709494 /nfs/dbraw/zinc/70/94/94/446709494.db2.gz MTWLBFYDTNEKRD-UHFFFAOYSA-N 2 2 333.480 1.790 20 0 EDADLP COc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cn1 ZINC000436019780 446720934 /nfs/dbraw/zinc/72/09/34/446720934.db2.gz CTLZBMQIBRFUER-MRXNPFEDSA-N 2 2 327.432 2.238 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423860258 446734360 /nfs/dbraw/zinc/73/43/60/446734360.db2.gz ABOFGHDGCIKZJM-JKSUJKDBSA-N 2 2 327.432 1.244 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371291076 446748718 /nfs/dbraw/zinc/74/87/18/446748718.db2.gz XPRMZXABBQZBLP-INIZCTEOSA-N 3 2 339.528 1.137 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371291076 446748724 /nfs/dbraw/zinc/74/87/24/446748724.db2.gz XPRMZXABBQZBLP-INIZCTEOSA-N 3 2 339.528 1.137 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000423919417 446768482 /nfs/dbraw/zinc/76/84/82/446768482.db2.gz QKNLYQGUNQYTQX-ILXRZTDVSA-N 2 2 338.427 1.320 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000423919417 446768488 /nfs/dbraw/zinc/76/84/88/446768488.db2.gz QKNLYQGUNQYTQX-ILXRZTDVSA-N 2 2 338.427 1.320 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000423920108 446768605 /nfs/dbraw/zinc/76/86/05/446768605.db2.gz VDFJYHSNQBZBTC-QGZVFWFLSA-N 2 2 339.443 1.220 20 0 EDADLP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423922816 446772149 /nfs/dbraw/zinc/77/21/49/446772149.db2.gz ATEJTQBLGJGICZ-HUUCEWRRSA-N 2 2 332.448 1.789 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000376886524 446777620 /nfs/dbraw/zinc/77/76/20/446777620.db2.gz HGWFCFDIUVNYJO-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000376886524 446777628 /nfs/dbraw/zinc/77/76/28/446777628.db2.gz HGWFCFDIUVNYJO-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000376886524 446777636 /nfs/dbraw/zinc/77/76/36/446777636.db2.gz HGWFCFDIUVNYJO-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000376886524 446777643 /nfs/dbraw/zinc/77/76/43/446777643.db2.gz HGWFCFDIUVNYJO-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000375424512 446788963 /nfs/dbraw/zinc/78/89/63/446788963.db2.gz YYXLLIIKGVCDHU-JYYAWHABSA-N 2 2 328.460 1.895 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000375424512 446788969 /nfs/dbraw/zinc/78/89/69/446788969.db2.gz YYXLLIIKGVCDHU-JYYAWHABSA-N 2 2 328.460 1.895 20 0 EDADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCc2cccnc21 ZINC000368375445 446821377 /nfs/dbraw/zinc/82/13/77/446821377.db2.gz VGIBOQINWVMCFZ-KRWDZBQOSA-N 2 2 346.475 1.181 20 0 EDADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCc2cccnc21 ZINC000368375445 446821384 /nfs/dbraw/zinc/82/13/84/446821384.db2.gz VGIBOQINWVMCFZ-KRWDZBQOSA-N 2 2 346.475 1.181 20 0 EDADLP COCCOc1ccccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000371419672 446842734 /nfs/dbraw/zinc/84/27/34/446842734.db2.gz OPINUWWHAALJHK-IBGZPJMESA-N 2 2 347.503 1.924 20 0 EDADLP COCCOc1ccccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000371419672 446842745 /nfs/dbraw/zinc/84/27/45/446842745.db2.gz OPINUWWHAALJHK-IBGZPJMESA-N 2 2 347.503 1.924 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000418999967 446857704 /nfs/dbraw/zinc/85/77/04/446857704.db2.gz JQAUNBHTRHSQKF-UHFFFAOYSA-N 2 2 332.448 1.017 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000418999967 446857708 /nfs/dbraw/zinc/85/77/08/446857708.db2.gz JQAUNBHTRHSQKF-UHFFFAOYSA-N 2 2 332.448 1.017 20 0 EDADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424136398 446860587 /nfs/dbraw/zinc/86/05/87/446860587.db2.gz ANYKUVOKYYUPEW-LBPRGKRZSA-N 2 2 337.387 1.710 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419005972 446860673 /nfs/dbraw/zinc/86/06/73/446860673.db2.gz PRSOQYDSKRGVJP-HOTGVXAUSA-N 2 2 346.475 1.228 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419005972 446860677 /nfs/dbraw/zinc/86/06/77/446860677.db2.gz PRSOQYDSKRGVJP-HOTGVXAUSA-N 2 2 346.475 1.228 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377036075 446875511 /nfs/dbraw/zinc/87/55/11/446875511.db2.gz WRIQUCGLABVIAS-MISYRCLQSA-N 3 2 349.567 1.560 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377036075 446875515 /nfs/dbraw/zinc/87/55/15/446875515.db2.gz WRIQUCGLABVIAS-MISYRCLQSA-N 3 2 349.567 1.560 20 0 EDADLP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCCCC1 ZINC000419032980 446876463 /nfs/dbraw/zinc/87/64/63/446876463.db2.gz BUECQAXRZDWBCV-AWEZNQCLSA-N 2 2 347.463 1.045 20 0 EDADLP COC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1 ZINC000420912871 446885522 /nfs/dbraw/zinc/88/55/22/446885522.db2.gz ADUBTGDEZMYJFA-QFBILLFUSA-N 2 2 334.460 1.755 20 0 EDADLP COC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1 ZINC000420912871 446885529 /nfs/dbraw/zinc/88/55/29/446885529.db2.gz ADUBTGDEZMYJFA-QFBILLFUSA-N 2 2 334.460 1.755 20 0 EDADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420919884 446890834 /nfs/dbraw/zinc/89/08/34/446890834.db2.gz ITICIMFLHCIMSS-LJQANCHMSA-N 2 2 345.487 1.962 20 0 EDADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420919884 446890841 /nfs/dbraw/zinc/89/08/41/446890841.db2.gz ITICIMFLHCIMSS-LJQANCHMSA-N 2 2 345.487 1.962 20 0 EDADLP CCN1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1=O ZINC000420922930 446893166 /nfs/dbraw/zinc/89/31/66/446893166.db2.gz OWOZTYPRQGIMLM-INIZCTEOSA-N 2 2 331.460 1.571 20 0 EDADLP CCN1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1=O ZINC000420922930 446893167 /nfs/dbraw/zinc/89/31/67/446893167.db2.gz OWOZTYPRQGIMLM-INIZCTEOSA-N 2 2 331.460 1.571 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCOCC1 ZINC000375602580 446918623 /nfs/dbraw/zinc/91/86/23/446918623.db2.gz IBPNNRVPFDDLGE-DLBZAZTESA-N 2 2 346.475 1.829 20 0 EDADLP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](c3ncc[nH]3)c3cccnc3)C2)CC1 ZINC000375651815 446952269 /nfs/dbraw/zinc/95/22/69/446952269.db2.gz ZOPPJNQFASSAET-SJLPKXTDSA-N 2 2 340.475 1.652 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000372115711 447010228 /nfs/dbraw/zinc/01/02/28/447010228.db2.gz IWRZBMCDPRILAE-QGZVFWFLSA-N 2 2 342.491 2.260 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC[C@@H](O)c1ccccc1 ZINC000375685031 446974254 /nfs/dbraw/zinc/97/42/54/446974254.db2.gz LQAJSUYZXUFKGF-DFQSSKMNSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000375685031 446974256 /nfs/dbraw/zinc/97/42/56/446974256.db2.gz LQAJSUYZXUFKGF-DFQSSKMNSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC[C@@H](O)c1ccccc1 ZINC000375685031 446974260 /nfs/dbraw/zinc/97/42/60/446974260.db2.gz LQAJSUYZXUFKGF-DFQSSKMNSA-N 2 2 347.503 1.447 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000421018007 446990287 /nfs/dbraw/zinc/99/02/87/446990287.db2.gz WBJFLNRMJAOVEH-KRWDZBQOSA-N 2 2 338.540 1.639 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000421018007 446990289 /nfs/dbraw/zinc/99/02/89/446990289.db2.gz WBJFLNRMJAOVEH-KRWDZBQOSA-N 2 2 338.540 1.639 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000421018007 446990294 /nfs/dbraw/zinc/99/02/94/446990294.db2.gz WBJFLNRMJAOVEH-KRWDZBQOSA-N 2 2 338.540 1.639 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000421018007 446990300 /nfs/dbraw/zinc/99/03/00/446990300.db2.gz WBJFLNRMJAOVEH-KRWDZBQOSA-N 2 2 338.540 1.639 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCCC[NH+]3CCCC3)C[C@@H]21 ZINC000455035455 447032585 /nfs/dbraw/zinc/03/25/85/447032585.db2.gz OSHFZQCKBASCDE-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCCC[NH+]3CCCC3)C[C@@H]21 ZINC000455035455 447032590 /nfs/dbraw/zinc/03/25/90/447032590.db2.gz OSHFZQCKBASCDE-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCc4cccnc43)CC2)CC1 ZINC000425154567 447034984 /nfs/dbraw/zinc/03/49/84/447034984.db2.gz IKKSINNTIOQYOQ-SFHVURJKSA-N 2 2 342.487 1.786 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000413167730 447045101 /nfs/dbraw/zinc/04/51/01/447045101.db2.gz MCBSNRHEPWYKPC-HHARLNAUSA-N 2 2 338.496 1.077 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000413167730 447045106 /nfs/dbraw/zinc/04/51/06/447045106.db2.gz MCBSNRHEPWYKPC-HHARLNAUSA-N 2 2 338.496 1.077 20 0 EDADLP C[C@@H](O)CNc1cc(NCC[N@H+](C)Cc2ccc(F)cc2)nc[nH+]1 ZINC000413169509 447046103 /nfs/dbraw/zinc/04/61/03/447046103.db2.gz LCAXYTPCQHGBAC-CYBMUJFWSA-N 2 2 333.411 1.952 20 0 EDADLP C[C@@H](O)CNc1cc(NCC[N@@H+](C)Cc2ccc(F)cc2)nc[nH+]1 ZINC000413169509 447046108 /nfs/dbraw/zinc/04/61/08/447046108.db2.gz LCAXYTPCQHGBAC-CYBMUJFWSA-N 2 2 333.411 1.952 20 0 EDADLP CC(C)[C@@H](CNc1[nH+]c2cccc(F)c2n1C)[NH+]1CCN(C)CC1 ZINC000443440517 447052882 /nfs/dbraw/zinc/05/28/82/447052882.db2.gz SCYWXVFXXAOARQ-MRXNPFEDSA-N 2 2 333.455 2.396 20 0 EDADLP CCn1nccc1/C=C/C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377258963 447024502 /nfs/dbraw/zinc/02/45/02/447024502.db2.gz UJBVJNYZZCFUCK-JFDDCEBESA-N 2 2 345.491 1.543 20 0 EDADLP CCn1nccc1/C=C/C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377258963 447024507 /nfs/dbraw/zinc/02/45/07/447024507.db2.gz UJBVJNYZZCFUCK-JFDDCEBESA-N 2 2 345.491 1.543 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CCO)C(C)(C)C)C2)CC1 ZINC000368791799 447108756 /nfs/dbraw/zinc/10/87/56/447108756.db2.gz SFEANARSKBOFRI-GDBMZVCRSA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CCO)C(C)(C)C)C2)CC1 ZINC000368791799 447108761 /nfs/dbraw/zinc/10/87/61/447108761.db2.gz SFEANARSKBOFRI-GDBMZVCRSA-N 2 2 340.512 1.251 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@](O)(Cc3ccc(F)cc3)C2)n1C ZINC000425341598 447121070 /nfs/dbraw/zinc/12/10/70/447121070.db2.gz DOOFOVKGTOOHKA-GOSISDBHSA-N 2 2 332.423 1.805 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@](O)(Cc3ccc(F)cc3)C2)n1C ZINC000425341598 447121073 /nfs/dbraw/zinc/12/10/73/447121073.db2.gz DOOFOVKGTOOHKA-GOSISDBHSA-N 2 2 332.423 1.805 20 0 EDADLP CC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000419315234 447078406 /nfs/dbraw/zinc/07/84/06/447078406.db2.gz JPVGTLYFEXGGAT-CABCVRRESA-N 2 2 325.497 1.628 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485169 447081396 /nfs/dbraw/zinc/08/13/96/447081396.db2.gz PSNARULRYQFXQM-GOEBONIOSA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485169 447081402 /nfs/dbraw/zinc/08/14/02/447081402.db2.gz PSNARULRYQFXQM-GOEBONIOSA-N 2 2 338.496 1.412 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372487474 447083280 /nfs/dbraw/zinc/08/32/80/447083280.db2.gz PSRLJLSQOOTMFY-DOTOQJQBSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372487474 447083285 /nfs/dbraw/zinc/08/32/85/447083285.db2.gz PSRLJLSQOOTMFY-DOTOQJQBSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)CCCC2)no1 ZINC000444165851 447084087 /nfs/dbraw/zinc/08/40/87/447084087.db2.gz ZMTHSOQETHVLIP-WBMJQRKESA-N 2 2 333.436 1.016 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccccc1F ZINC000444167443 447084678 /nfs/dbraw/zinc/08/46/78/447084678.db2.gz LKMJTZOOSIGOAE-DDUZABMNSA-N 2 2 328.391 1.764 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)[C@H](C)C1 ZINC000455485794 447143005 /nfs/dbraw/zinc/14/30/05/447143005.db2.gz ODKKDYGLAKLXIL-BFHYXJOUSA-N 2 2 349.435 1.168 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)[C@H](C)C1 ZINC000455485794 447143012 /nfs/dbraw/zinc/14/30/12/447143012.db2.gz ODKKDYGLAKLXIL-BFHYXJOUSA-N 2 2 349.435 1.168 20 0 EDADLP CCC[N@H+](CC)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000377463337 447144559 /nfs/dbraw/zinc/14/45/59/447144559.db2.gz DLERTLVIKUAYHA-SFHVURJKSA-N 2 2 333.476 1.736 20 0 EDADLP CCC[N@@H+](CC)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000377463337 447144566 /nfs/dbraw/zinc/14/45/66/447144566.db2.gz DLERTLVIKUAYHA-SFHVURJKSA-N 2 2 333.476 1.736 20 0 EDADLP CCC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000377463337 447144569 /nfs/dbraw/zinc/14/45/69/447144569.db2.gz DLERTLVIKUAYHA-SFHVURJKSA-N 2 2 333.476 1.736 20 0 EDADLP CCC[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000377463337 447144575 /nfs/dbraw/zinc/14/45/75/447144575.db2.gz DLERTLVIKUAYHA-SFHVURJKSA-N 2 2 333.476 1.736 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNc2ncnc3c2C[N@H+](C)CC3)C[C@@H](C)O1 ZINC000368838708 447149425 /nfs/dbraw/zinc/14/94/25/447149425.db2.gz NGKQPPFNCVYCFB-ZIAGYGMSSA-N 2 2 333.480 1.764 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNc2ncnc3c2C[N@@H+](C)CC3)C[C@@H](C)O1 ZINC000368838708 447149430 /nfs/dbraw/zinc/14/94/30/447149430.db2.gz NGKQPPFNCVYCFB-ZIAGYGMSSA-N 2 2 333.480 1.764 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c[nH+]1 ZINC000455554415 447166147 /nfs/dbraw/zinc/16/61/47/447166147.db2.gz DESSHHDGYWHTIF-OAHLLOKOSA-N 2 2 334.464 1.685 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c[nH+]1 ZINC000455554415 447166151 /nfs/dbraw/zinc/16/61/51/447166151.db2.gz DESSHHDGYWHTIF-OAHLLOKOSA-N 2 2 334.464 1.685 20 0 EDADLP COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425375663 447131978 /nfs/dbraw/zinc/13/19/78/447131978.db2.gz DEPZPTUVEBWQOB-WBVHZDCISA-N 2 2 330.432 1.803 20 0 EDADLP COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425375663 447131981 /nfs/dbraw/zinc/13/19/81/447131981.db2.gz DEPZPTUVEBWQOB-WBVHZDCISA-N 2 2 330.432 1.803 20 0 EDADLP CN(C(=O)NCc1ccccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924128 447205459 /nfs/dbraw/zinc/20/54/59/447205459.db2.gz HVGOTCRYCMCDNZ-KRWDZBQOSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C(=O)NCc1ccccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924128 447205465 /nfs/dbraw/zinc/20/54/65/447205465.db2.gz HVGOTCRYCMCDNZ-KRWDZBQOSA-N 2 2 331.464 1.392 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)[nH]1 ZINC000377679687 447291460 /nfs/dbraw/zinc/29/14/60/447291460.db2.gz UTLCCCCYBSTJTC-MRXNPFEDSA-N 2 2 334.464 1.403 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)[nH]1 ZINC000377679687 447291466 /nfs/dbraw/zinc/29/14/66/447291466.db2.gz UTLCCCCYBSTJTC-MRXNPFEDSA-N 2 2 334.464 1.403 20 0 EDADLP CC(C)[C@@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000377654607 447275655 /nfs/dbraw/zinc/27/56/55/447275655.db2.gz RCABDCIELKXZMD-IBGZPJMESA-N 2 2 349.475 1.264 20 0 EDADLP CC(C)[C@@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000377654607 447275659 /nfs/dbraw/zinc/27/56/59/447275659.db2.gz RCABDCIELKXZMD-IBGZPJMESA-N 2 2 349.475 1.264 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(OC)nn3)no2)[C@H](C)C1 ZINC000450561124 447526831 /nfs/dbraw/zinc/52/68/31/447526831.db2.gz GSUUDAMXOGAQIC-TZMCWYRMSA-N 2 2 346.435 1.697 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3ccc(OC)nn3)no2)[C@H](C)C1 ZINC000450561124 447526836 /nfs/dbraw/zinc/52/68/36/447526836.db2.gz GSUUDAMXOGAQIC-TZMCWYRMSA-N 2 2 346.435 1.697 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc(OC)nn3)no2)[C@H](C)C1 ZINC000450561124 447526840 /nfs/dbraw/zinc/52/68/40/447526840.db2.gz GSUUDAMXOGAQIC-TZMCWYRMSA-N 2 2 346.435 1.697 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccc(OC)nn3)no2)[C@H](C)C1 ZINC000450561124 447526843 /nfs/dbraw/zinc/52/68/43/447526843.db2.gz GSUUDAMXOGAQIC-TZMCWYRMSA-N 2 2 346.435 1.697 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cn3ccccc3[nH+]1)C2=O ZINC000391731358 447517543 /nfs/dbraw/zinc/51/75/43/447517543.db2.gz VLAWBSQMSKJFTG-SJCJKPOMSA-N 2 2 327.388 1.274 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H](C)S(C)(=O)=O)C1)CCCC2 ZINC000450783432 447574236 /nfs/dbraw/zinc/57/42/36/447574236.db2.gz CGRFCFHBSWYMKT-GXTWGEPZSA-N 2 2 325.478 1.750 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H](C)S(C)(=O)=O)C1)CCCC2 ZINC000450783432 447574242 /nfs/dbraw/zinc/57/42/42/447574242.db2.gz CGRFCFHBSWYMKT-GXTWGEPZSA-N 2 2 325.478 1.750 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000457417207 447576625 /nfs/dbraw/zinc/57/66/25/447576625.db2.gz FUSKEOOWCRUNLA-IYBDPMFKSA-N 2 2 326.485 1.268 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000457417207 447576631 /nfs/dbraw/zinc/57/66/31/447576631.db2.gz FUSKEOOWCRUNLA-IYBDPMFKSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+](C2CC2)C1 ZINC000457435682 447580679 /nfs/dbraw/zinc/58/06/79/447580679.db2.gz IKPHSJXOKPJOAH-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+](C2CC2)C1 ZINC000457435682 447580685 /nfs/dbraw/zinc/58/06/85/447580685.db2.gz IKPHSJXOKPJOAH-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427129535 447550094 /nfs/dbraw/zinc/55/00/94/447550094.db2.gz YELNTHZPHGYTIL-HZPDHXFCSA-N 2 2 347.459 1.394 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000427129535 447550097 /nfs/dbraw/zinc/55/00/97/447550097.db2.gz YELNTHZPHGYTIL-HZPDHXFCSA-N 2 2 347.459 1.394 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000459057775 447555642 /nfs/dbraw/zinc/55/56/42/447555642.db2.gz LRBBHKCADMFOTC-AWEZNQCLSA-N 2 2 337.468 1.716 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000459057775 447555647 /nfs/dbraw/zinc/55/56/47/447555647.db2.gz LRBBHKCADMFOTC-AWEZNQCLSA-N 2 2 337.468 1.716 20 0 EDADLP Cc1cccc(NCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)[nH+]1 ZINC000427410980 447593024 /nfs/dbraw/zinc/59/30/24/447593024.db2.gz CQMGGPXBSKPEAP-CQSZACIVSA-N 2 2 328.420 1.665 20 0 EDADLP Cc1cccc(NCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)[nH+]1 ZINC000427410980 447593027 /nfs/dbraw/zinc/59/30/27/447593027.db2.gz CQMGGPXBSKPEAP-CQSZACIVSA-N 2 2 328.420 1.665 20 0 EDADLP CC(C)N(C)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427600466 447619167 /nfs/dbraw/zinc/61/91/67/447619167.db2.gz UAWYGIVPGMPWKZ-UHFFFAOYSA-N 2 2 332.492 1.887 20 0 EDADLP CC(C)N(C)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427600466 447619174 /nfs/dbraw/zinc/61/91/74/447619174.db2.gz UAWYGIVPGMPWKZ-UHFFFAOYSA-N 2 2 332.492 1.887 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000416853144 447697296 /nfs/dbraw/zinc/69/72/96/447697296.db2.gz NLXYMZVHUBGRQK-CQSZACIVSA-N 2 2 331.420 1.104 20 0 EDADLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000459535541 447698245 /nfs/dbraw/zinc/69/82/45/447698245.db2.gz JUQHGTHSQAKHNE-UHFFFAOYSA-N 3 2 333.480 1.050 20 0 EDADLP [NH3+][C@@H](CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000416885244 447701982 /nfs/dbraw/zinc/70/19/82/447701982.db2.gz FBRLMARUDDYVCQ-IRXDYDNUSA-N 2 2 332.448 1.096 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000408522357 447673010 /nfs/dbraw/zinc/67/30/10/447673010.db2.gz HYKXEFOINWSOEO-IAGOWNOFSA-N 2 2 343.427 1.852 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000408522357 447673014 /nfs/dbraw/zinc/67/30/14/447673014.db2.gz HYKXEFOINWSOEO-IAGOWNOFSA-N 2 2 343.427 1.852 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCO[C@H](C[NH3+])C1 ZINC000420241174 447683539 /nfs/dbraw/zinc/68/35/39/447683539.db2.gz OLOLDJWLWJPOIU-CYBMUJFWSA-N 2 2 345.399 1.584 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416805481 447688579 /nfs/dbraw/zinc/68/85/79/447688579.db2.gz FAUTVUDAXXOIMQ-IAGOWNOFSA-N 2 2 334.464 1.170 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416805481 447688582 /nfs/dbraw/zinc/68/85/82/447688582.db2.gz FAUTVUDAXXOIMQ-IAGOWNOFSA-N 2 2 334.464 1.170 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416813250 447690868 /nfs/dbraw/zinc/69/08/68/447690868.db2.gz DSYJJSNGNIGRQS-CHWSQXEVSA-N 2 2 326.466 1.015 20 0 EDADLP [NH3+][C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cscn1 ZINC000422700187 447720783 /nfs/dbraw/zinc/72/07/83/447720783.db2.gz BQLFGZDABZFDAZ-INIZCTEOSA-N 2 2 330.457 1.877 20 0 EDADLP [NH3+][C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cscn1 ZINC000422700187 447720789 /nfs/dbraw/zinc/72/07/89/447720789.db2.gz BQLFGZDABZFDAZ-INIZCTEOSA-N 2 2 330.457 1.877 20 0 EDADLP O=S(=O)(CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422711909 447724337 /nfs/dbraw/zinc/72/43/37/447724337.db2.gz HSHMGPXMKVHGGN-DLBZAZTESA-N 2 2 338.473 1.207 20 0 EDADLP CCC(CC)(NC(=O)C1C[NH+](CCCc2ccc(C)[nH+]c2)C1)C(N)=O ZINC000459632314 447725837 /nfs/dbraw/zinc/72/58/37/447725837.db2.gz MOSYITZUHHJBSI-UHFFFAOYSA-N 2 2 346.475 1.415 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422835944 447764329 /nfs/dbraw/zinc/76/43/29/447764329.db2.gz ZKWNLOVXBSAHFL-IAGOWNOFSA-N 3 2 332.496 1.096 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417268237 447740545 /nfs/dbraw/zinc/74/05/45/447740545.db2.gz JGGONBBOKRXXDF-GXTWGEPZSA-N 2 2 331.395 1.938 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000422799545 447753397 /nfs/dbraw/zinc/75/33/97/447753397.db2.gz XFOWRILXUQOQNY-IAOVAPTHSA-N 2 2 328.416 1.817 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422827987 447761969 /nfs/dbraw/zinc/76/19/69/447761969.db2.gz AKFKVJNHWGRKII-XGXHKWSGSA-N 2 2 345.487 1.923 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422827987 447761972 /nfs/dbraw/zinc/76/19/72/447761972.db2.gz AKFKVJNHWGRKII-XGXHKWSGSA-N 2 2 345.487 1.923 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000422844038 447766812 /nfs/dbraw/zinc/76/68/12/447766812.db2.gz KQGWZFNOOZWIGD-HZPDHXFCSA-N 2 2 327.538 1.705 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000430558703 447778194 /nfs/dbraw/zinc/77/81/94/447778194.db2.gz QYKCPFDUPZSLKI-HKUYNNGSSA-N 2 2 346.519 1.934 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000430558703 447778197 /nfs/dbraw/zinc/77/81/97/447778197.db2.gz QYKCPFDUPZSLKI-HKUYNNGSSA-N 2 2 346.519 1.934 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000430558704 447778412 /nfs/dbraw/zinc/77/84/12/447778412.db2.gz QYKCPFDUPZSLKI-IEBWSBKVSA-N 2 2 346.519 1.934 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000430558704 447778416 /nfs/dbraw/zinc/77/84/16/447778416.db2.gz QYKCPFDUPZSLKI-IEBWSBKVSA-N 2 2 346.519 1.934 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000430558717 447778528 /nfs/dbraw/zinc/77/85/28/447778528.db2.gz RATPTUIDYOQBHS-ZIAGYGMSSA-N 2 2 341.477 1.623 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000430558717 447778533 /nfs/dbraw/zinc/77/85/33/447778533.db2.gz RATPTUIDYOQBHS-ZIAGYGMSSA-N 2 2 341.477 1.623 20 0 EDADLP [NH3+]CCCOC1CC[NH+](Cc2noc(Cc3ccccc3)n2)CC1 ZINC000430565422 447780617 /nfs/dbraw/zinc/78/06/17/447780617.db2.gz FYRHNWDYAAYJIS-UHFFFAOYSA-N 2 2 330.432 1.990 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)[C@H]1CCCC[NH2+]1 ZINC000422960117 447781551 /nfs/dbraw/zinc/78/15/51/447781551.db2.gz AVEHVDLFZTXQFT-OWCLPIDISA-N 3 2 332.496 1.997 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)[C@H]1CCCC[NH2+]1 ZINC000422960117 447781552 /nfs/dbraw/zinc/78/15/52/447781552.db2.gz AVEHVDLFZTXQFT-OWCLPIDISA-N 2 2 332.496 1.997 20 0 EDADLP C[N@H+](CC(C)(C)C[NH3+])[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000430594348 447782564 /nfs/dbraw/zinc/78/25/64/447782564.db2.gz VKRCOYOTHRJQHO-GFCCVEGCSA-N 2 2 328.254 1.892 20 0 EDADLP C[N@@H+](CC(C)(C)C[NH3+])[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000430594348 447782568 /nfs/dbraw/zinc/78/25/68/447782568.db2.gz VKRCOYOTHRJQHO-GFCCVEGCSA-N 2 2 328.254 1.892 20 0 EDADLP FC(F)(F)c1cccc(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000423012935 447790801 /nfs/dbraw/zinc/79/08/01/447790801.db2.gz LONICYHKJQEXBF-WFASDCNBSA-N 2 2 345.365 1.836 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CCO1 ZINC000496505448 447795496 /nfs/dbraw/zinc/79/54/96/447795496.db2.gz PJMOHRQZWVKROL-SFHVURJKSA-N 2 2 347.459 1.695 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CCO1 ZINC000496505448 447795500 /nfs/dbraw/zinc/79/55/00/447795500.db2.gz PJMOHRQZWVKROL-SFHVURJKSA-N 2 2 347.459 1.695 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000431413512 447803044 /nfs/dbraw/zinc/80/30/44/447803044.db2.gz KBFOKQZQKIAOOQ-HNNXBMFYSA-N 2 2 345.422 1.455 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000431413512 447803047 /nfs/dbraw/zinc/80/30/47/447803047.db2.gz KBFOKQZQKIAOOQ-HNNXBMFYSA-N 2 2 345.422 1.455 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000423111603 447807542 /nfs/dbraw/zinc/80/75/42/447807542.db2.gz QRAZYODNWYCJLZ-XIRDDKMYSA-N 2 2 339.505 1.349 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496634321 447837324 /nfs/dbraw/zinc/83/73/24/447837324.db2.gz VSGYPBYZGJXTSK-RRFJBIMHSA-N 2 2 327.469 1.743 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000549126784 447864850 /nfs/dbraw/zinc/86/48/50/447864850.db2.gz JUGUEAVGZGLEEX-WMZOPIPTSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000549126784 447864853 /nfs/dbraw/zinc/86/48/53/447864853.db2.gz JUGUEAVGZGLEEX-WMZOPIPTSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000549126784 447864864 /nfs/dbraw/zinc/86/48/64/447864864.db2.gz JUGUEAVGZGLEEX-WMZOPIPTSA-N 2 2 331.460 1.345 20 0 EDADLP [NH3+]C1(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CCC1 ZINC000569677293 447862916 /nfs/dbraw/zinc/86/29/16/447862916.db2.gz FEYRPKILQRAVLX-XBXARRHUSA-N 2 2 328.460 1.908 20 0 EDADLP CC(C)(C)c1ccc(CCNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479796261 447824229 /nfs/dbraw/zinc/82/42/29/447824229.db2.gz MJTXRUIILULDQS-CALCHBBNSA-N 2 2 329.488 1.794 20 0 EDADLP CC(C)(C)c1ccc(CCNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479796261 447824231 /nfs/dbraw/zinc/82/42/31/447824231.db2.gz MJTXRUIILULDQS-CALCHBBNSA-N 2 2 329.488 1.794 20 0 EDADLP Cc1nc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc(N(C)C)n1 ZINC000489965297 447882891 /nfs/dbraw/zinc/88/28/91/447882891.db2.gz MWMCUNHJOGFBJA-UHFFFAOYSA-N 2 2 347.511 1.608 20 0 EDADLP Cc1nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000530429282 447884798 /nfs/dbraw/zinc/88/47/98/447884798.db2.gz XOSANTOCZHWLLM-INIZCTEOSA-N 2 2 326.448 2.180 20 0 EDADLP Cc1nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000530429282 447884802 /nfs/dbraw/zinc/88/48/02/447884802.db2.gz XOSANTOCZHWLLM-INIZCTEOSA-N 2 2 326.448 2.180 20 0 EDADLP Cc1nc(N(C)C)nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000530429282 447884810 /nfs/dbraw/zinc/88/48/10/447884810.db2.gz XOSANTOCZHWLLM-INIZCTEOSA-N 2 2 326.448 2.180 20 0 EDADLP Cc1nc(N(C)C)nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000530429282 447884815 /nfs/dbraw/zinc/88/48/15/447884815.db2.gz XOSANTOCZHWLLM-INIZCTEOSA-N 2 2 326.448 2.180 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000530465195 447892362 /nfs/dbraw/zinc/89/23/62/447892362.db2.gz JOWSIEFACCIDRM-HKUYNNGSSA-N 2 2 326.444 1.906 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000530465195 447892368 /nfs/dbraw/zinc/89/23/68/447892368.db2.gz JOWSIEFACCIDRM-HKUYNNGSSA-N 2 2 326.444 1.906 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570113970 447947548 /nfs/dbraw/zinc/94/75/48/447947548.db2.gz CVZDTRAKSDUQKG-UHFFFAOYSA-N 2 2 327.432 1.499 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CCCO1 ZINC000569912642 447915438 /nfs/dbraw/zinc/91/54/38/447915438.db2.gz BFCRCRXDYFPSLC-QZTJIDSGSA-N 2 2 331.460 1.790 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CCCO1 ZINC000569912642 447915444 /nfs/dbraw/zinc/91/54/44/447915444.db2.gz BFCRCRXDYFPSLC-QZTJIDSGSA-N 2 2 331.460 1.790 20 0 EDADLP COc1cc(NC(=O)CC[NH2+][C@@H](C)C[NH+](C)C)cc(OC)c1OC ZINC000575917841 447926602 /nfs/dbraw/zinc/92/66/02/447926602.db2.gz TYLPVSYQKVPQAN-LBPRGKRZSA-N 2 2 339.436 1.581 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)no1 ZINC000575917715 447927007 /nfs/dbraw/zinc/92/70/07/447927007.db2.gz JUANSMJTZBWQCQ-RDJZCZTQSA-N 2 2 342.443 2.564 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)no1 ZINC000575917715 447927009 /nfs/dbraw/zinc/92/70/09/447927009.db2.gz JUANSMJTZBWQCQ-RDJZCZTQSA-N 2 2 342.443 2.564 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c2[nH+]ccn21 ZINC000570020171 447934664 /nfs/dbraw/zinc/93/46/64/447934664.db2.gz VSBDRKCIXSTVTJ-UGUYLWEFSA-N 2 2 347.463 1.832 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[NH+]1CCOCC1 ZINC000553257329 447982984 /nfs/dbraw/zinc/98/29/84/447982984.db2.gz ZYUGSWDULOXJOF-MRXNPFEDSA-N 2 2 325.497 1.581 20 0 EDADLP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCn2c[nH+]cc2C1 ZINC000570255093 447970844 /nfs/dbraw/zinc/97/08/44/447970844.db2.gz ZZYWQHJRPNXWAZ-MRXNPFEDSA-N 2 2 325.416 1.533 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCn2c[nH+]cc2C1 ZINC000570255093 447970849 /nfs/dbraw/zinc/97/08/49/447970849.db2.gz ZZYWQHJRPNXWAZ-MRXNPFEDSA-N 2 2 325.416 1.533 20 0 EDADLP CN(C[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000497264589 448019054 /nfs/dbraw/zinc/01/90/54/448019054.db2.gz WQPKQOXQVSHSBM-ZIAGYGMSSA-N 2 2 338.452 1.817 20 0 EDADLP CN(C[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000497264589 448019062 /nfs/dbraw/zinc/01/90/62/448019062.db2.gz WQPKQOXQVSHSBM-ZIAGYGMSSA-N 2 2 338.452 1.817 20 0 EDADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1cc[nH+]c1 ZINC000576403948 448046018 /nfs/dbraw/zinc/04/60/18/448046018.db2.gz UKSHSBXRLGRPEQ-OAHLLOKOSA-N 3 2 333.480 1.509 20 0 EDADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1ccnc1 ZINC000576403948 448046021 /nfs/dbraw/zinc/04/60/21/448046021.db2.gz UKSHSBXRLGRPEQ-OAHLLOKOSA-N 2 2 333.480 1.509 20 0 EDADLP CC[N@H+](CCNc1cc[nH+]c(N2CCOCC2)n1)CCC(F)(F)F ZINC000491715912 448085995 /nfs/dbraw/zinc/08/59/95/448085995.db2.gz DEPMCHVGWPLMJB-UHFFFAOYSA-N 2 2 347.385 1.999 20 0 EDADLP CC[N@@H+](CCNc1cc[nH+]c(N2CCOCC2)n1)CCC(F)(F)F ZINC000491715912 448086001 /nfs/dbraw/zinc/08/60/01/448086001.db2.gz DEPMCHVGWPLMJB-UHFFFAOYSA-N 2 2 347.385 1.999 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000527094528 448158097 /nfs/dbraw/zinc/15/80/97/448158097.db2.gz PALHGSKCMDFTSO-UHFFFAOYSA-N 2 2 343.431 1.394 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000527094528 448158100 /nfs/dbraw/zinc/15/81/00/448158100.db2.gz PALHGSKCMDFTSO-UHFFFAOYSA-N 2 2 343.431 1.394 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/C3CCOCC3)CC2)CC1 ZINC000491845716 448138870 /nfs/dbraw/zinc/13/88/70/448138870.db2.gz MVHGXEXFMMZRNG-NSCUHMNNSA-N 2 2 335.492 1.644 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000527013273 448139187 /nfs/dbraw/zinc/13/91/87/448139187.db2.gz ORHPJAGLQSTXQD-UHFFFAOYSA-N 2 2 342.443 1.948 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NC[C@H](C1CC1)[NH+](C)C)C(F)(F)F ZINC000576954700 448180082 /nfs/dbraw/zinc/18/00/82/448180082.db2.gz OTGUESDDFZYUEN-VXGBXAGGSA-N 2 2 332.370 1.913 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577065916 448204260 /nfs/dbraw/zinc/20/42/60/448204260.db2.gz GLDIGNKDZCGRKS-FVQBIDKESA-N 2 2 335.473 1.055 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577065916 448204264 /nfs/dbraw/zinc/20/42/64/448204264.db2.gz GLDIGNKDZCGRKS-FVQBIDKESA-N 2 2 335.473 1.055 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000577082703 448207581 /nfs/dbraw/zinc/20/75/81/448207581.db2.gz FDNFXXOBZOXBMN-ZDUSSCGKSA-N 2 2 339.390 1.478 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000577176386 448226684 /nfs/dbraw/zinc/22/66/84/448226684.db2.gz ROHJOZTUFBSVBE-XEZPLFJOSA-N 2 2 345.447 1.943 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000582428441 448237460 /nfs/dbraw/zinc/23/74/60/448237460.db2.gz NSUAXYBAQBGFST-KBPBESRZSA-N 2 2 347.381 1.866 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000582428441 448237461 /nfs/dbraw/zinc/23/74/61/448237461.db2.gz NSUAXYBAQBGFST-KBPBESRZSA-N 2 2 347.381 1.866 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000582428441 448237463 /nfs/dbraw/zinc/23/74/63/448237463.db2.gz NSUAXYBAQBGFST-KBPBESRZSA-N 2 2 347.381 1.866 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000582428441 448237464 /nfs/dbraw/zinc/23/74/64/448237464.db2.gz NSUAXYBAQBGFST-KBPBESRZSA-N 2 2 347.381 1.866 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CC(C)(C)C)CC2)CC1 ZINC000577218240 448238987 /nfs/dbraw/zinc/23/89/87/448238987.db2.gz QBRUYKVFZHQQCU-UHFFFAOYSA-N 2 2 345.553 1.854 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CC(C)(C)C)CC2)CC1 ZINC000577218240 448238994 /nfs/dbraw/zinc/23/89/94/448238994.db2.gz QBRUYKVFZHQQCU-UHFFFAOYSA-N 2 2 345.553 1.854 20 0 EDADLP C[C@@H](COc1ccc(F)cc1F)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000514849087 448213123 /nfs/dbraw/zinc/21/31/23/448213123.db2.gz CSQKLXAKWHFPFE-WCQYABFASA-N 2 2 342.390 1.016 20 0 EDADLP C[C@@H](COc1ccc(F)cc1F)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000514849087 448213127 /nfs/dbraw/zinc/21/31/27/448213127.db2.gz CSQKLXAKWHFPFE-WCQYABFASA-N 2 2 342.390 1.016 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000527516680 448244907 /nfs/dbraw/zinc/24/49/07/448244907.db2.gz GOKOWXDOHQQYEP-KLAILNCOSA-N 2 2 343.475 1.976 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000515236061 448280336 /nfs/dbraw/zinc/28/03/36/448280336.db2.gz UOFYKMXCGATVET-INIZCTEOSA-N 2 2 333.476 1.900 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000515236061 448280341 /nfs/dbraw/zinc/28/03/41/448280341.db2.gz UOFYKMXCGATVET-INIZCTEOSA-N 2 2 333.476 1.900 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000572097548 448283235 /nfs/dbraw/zinc/28/32/35/448283235.db2.gz YBLPKBIFSKKAMR-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000572097548 448283238 /nfs/dbraw/zinc/28/32/38/448283238.db2.gz YBLPKBIFSKKAMR-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CC[NH2+]C(C)C)on1 ZINC000515351257 448296541 /nfs/dbraw/zinc/29/65/41/448296541.db2.gz WMGVCOKLOGYZGP-GJZGRUSLSA-N 2 2 340.443 1.742 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CC[NH2+]C(C)C)on1 ZINC000515351257 448296547 /nfs/dbraw/zinc/29/65/47/448296547.db2.gz WMGVCOKLOGYZGP-GJZGRUSLSA-N 2 2 340.443 1.742 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000572150932 448303639 /nfs/dbraw/zinc/30/36/39/448303639.db2.gz ZPFUYZWUEFFREY-SFHVURJKSA-N 2 2 348.491 1.196 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000572150932 448303644 /nfs/dbraw/zinc/30/36/44/448303644.db2.gz ZPFUYZWUEFFREY-SFHVURJKSA-N 2 2 348.491 1.196 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]CCCc2[nH]c3ccccc3[nH+]2)no1 ZINC000564846181 448342523 /nfs/dbraw/zinc/34/25/23/448342523.db2.gz HXXASFYSTRURJO-UHFFFAOYSA-N 2 2 327.388 2.410 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000515811012 448352820 /nfs/dbraw/zinc/35/28/20/448352820.db2.gz QRNFMQQPXHFWSW-YJBOKZPZSA-N 2 2 349.479 1.908 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000577709753 448363776 /nfs/dbraw/zinc/36/37/76/448363776.db2.gz CJJXUWWJENGYEO-HNNXBMFYSA-N 2 2 346.410 1.177 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000577709753 448363780 /nfs/dbraw/zinc/36/37/80/448363780.db2.gz CJJXUWWJENGYEO-HNNXBMFYSA-N 2 2 346.410 1.177 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000577841006 448398804 /nfs/dbraw/zinc/39/88/04/448398804.db2.gz AHRMKWOHDBVVJZ-INIZCTEOSA-N 2 2 347.463 1.250 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000533866970 448427467 /nfs/dbraw/zinc/42/74/67/448427467.db2.gz ORVAIZJMECSUPX-MRXNPFEDSA-N 2 2 342.443 1.877 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000533866970 448427472 /nfs/dbraw/zinc/42/74/72/448427472.db2.gz ORVAIZJMECSUPX-MRXNPFEDSA-N 2 2 342.443 1.877 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000516783384 448474501 /nfs/dbraw/zinc/47/45/01/448474501.db2.gz GROFNEMKFJFRBF-BBRMVZONSA-N 2 2 346.431 1.528 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000516783384 448474508 /nfs/dbraw/zinc/47/45/08/448474508.db2.gz GROFNEMKFJFRBF-BBRMVZONSA-N 2 2 346.431 1.528 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000578187231 448479624 /nfs/dbraw/zinc/47/96/24/448479624.db2.gz VVSMAXSBOKVOOG-MZMPZRCHSA-N 2 2 347.459 1.600 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000578187231 448479627 /nfs/dbraw/zinc/47/96/27/448479627.db2.gz VVSMAXSBOKVOOG-MZMPZRCHSA-N 2 2 347.459 1.600 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)[C@H](C[NH3+])C1 ZINC000572876820 448488231 /nfs/dbraw/zinc/48/82/31/448488231.db2.gz ZVRKFEXCBKSWSK-GFCCVEGCSA-N 2 2 348.834 1.368 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2ccc(Cl)c3cccnc23)[C@H](C[NH3+])C1 ZINC000572876820 448488236 /nfs/dbraw/zinc/48/82/36/448488236.db2.gz ZVRKFEXCBKSWSK-GFCCVEGCSA-N 2 2 348.834 1.368 20 0 EDADLP CC[NH+]1CCN(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000566524381 448499098 /nfs/dbraw/zinc/49/90/98/448499098.db2.gz NCOLVYPFBNCQET-UHFFFAOYSA-N 3 2 345.535 1.663 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000584371077 448502463 /nfs/dbraw/zinc/50/24/63/448502463.db2.gz QPOISVAGOGZGDO-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000584371077 448502470 /nfs/dbraw/zinc/50/24/70/448502470.db2.gz QPOISVAGOGZGDO-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584371077 448502475 /nfs/dbraw/zinc/50/24/75/448502475.db2.gz QPOISVAGOGZGDO-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584371077 448502480 /nfs/dbraw/zinc/50/24/80/448502480.db2.gz QPOISVAGOGZGDO-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CC(C)C[C@H](CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)[NH+]1CCOCC1 ZINC000578295580 448506832 /nfs/dbraw/zinc/50/68/32/448506832.db2.gz WPZAWQLMXPTFSW-OAGGEKHMSA-N 2 2 349.479 1.935 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2csc(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000572999124 448519834 /nfs/dbraw/zinc/51/98/34/448519834.db2.gz GQSTWMWIHDFECV-HNNXBMFYSA-N 2 2 330.457 1.454 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2csc(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000572999124 448519837 /nfs/dbraw/zinc/51/98/37/448519837.db2.gz GQSTWMWIHDFECV-HNNXBMFYSA-N 2 2 330.457 1.454 20 0 EDADLP CCN1CCN(C(=O)NCC2CC[NH+](CC)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000566890047 448577737 /nfs/dbraw/zinc/57/77/37/448577737.db2.gz SFKFPVOPMAUVNL-INIZCTEOSA-N 2 2 348.495 1.530 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCOC1 ZINC000578401303 448534811 /nfs/dbraw/zinc/53/48/11/448534811.db2.gz GDWCJQGKVSUWNL-IKGGRYGDSA-N 2 2 346.475 1.523 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000517539726 448590810 /nfs/dbraw/zinc/59/08/10/448590810.db2.gz ZCHLPWIYLHPJED-ARFHVFGLSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000517539726 448590816 /nfs/dbraw/zinc/59/08/16/448590816.db2.gz ZCHLPWIYLHPJED-ARFHVFGLSA-N 2 2 338.402 1.747 20 0 EDADLP c1cc(N[C@H]2CCCOC2)nc(NC[C@H]2CCCC[N@@H+]2C2CC2)[nH+]1 ZINC000517550334 448591699 /nfs/dbraw/zinc/59/16/99/448591699.db2.gz MGUMWTCQNPXTQD-GOEBONIOSA-N 2 2 331.464 2.496 20 0 EDADLP c1cc(N[C@H]2CCCOC2)nc(NC[C@H]2CCCC[N@H+]2C2CC2)[nH+]1 ZINC000517550334 448591703 /nfs/dbraw/zinc/59/17/03/448591703.db2.gz MGUMWTCQNPXTQD-GOEBONIOSA-N 2 2 331.464 2.496 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000567222949 448641243 /nfs/dbraw/zinc/64/12/43/448641243.db2.gz DGKDUVHOUSYRRH-BPQIPLTHSA-N 2 2 346.475 1.104 20 0 EDADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000567226800 448643115 /nfs/dbraw/zinc/64/31/15/448643115.db2.gz FFLHQOJVNPHOEL-MJGOQNOKSA-N 4 2 330.520 1.958 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)[C@H](C[NH3+])C1 ZINC000584827781 448646101 /nfs/dbraw/zinc/64/61/01/448646101.db2.gz ZRFPUVSRIIYGEO-CQSZACIVSA-N 2 2 331.420 1.068 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)[C@H](C[NH3+])C1 ZINC000584827781 448646109 /nfs/dbraw/zinc/64/61/09/448646109.db2.gz ZRFPUVSRIIYGEO-CQSZACIVSA-N 2 2 331.420 1.068 20 0 EDADLP COc1ccc([C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C2CC2)cc1 ZINC000567246254 448649260 /nfs/dbraw/zinc/64/92/60/448649260.db2.gz FIXRLVJNXSTDAA-RDJZCZTQSA-N 2 2 332.448 1.431 20 0 EDADLP COc1ccc([C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C2CC2)cc1 ZINC000567246254 448649263 /nfs/dbraw/zinc/64/92/63/448649263.db2.gz FIXRLVJNXSTDAA-RDJZCZTQSA-N 2 2 332.448 1.431 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccc(OCC(F)F)c2)[C@@H](C[NH3+])C1 ZINC000578849588 448649403 /nfs/dbraw/zinc/64/94/03/448649403.db2.gz DTBAGHQFRYEEPF-ZDUSSCGKSA-N 2 2 342.390 1.115 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(OCC(F)F)c2)[C@@H](C[NH3+])C1 ZINC000578849588 448649407 /nfs/dbraw/zinc/64/94/07/448649407.db2.gz DTBAGHQFRYEEPF-ZDUSSCGKSA-N 2 2 342.390 1.115 20 0 EDADLP COCCn1ccc2ccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc21 ZINC000567357997 448675402 /nfs/dbraw/zinc/67/54/02/448675402.db2.gz TULOBTVSNPPUJG-MRXNPFEDSA-N 2 2 345.447 1.394 20 0 EDADLP COCCn1ccc2ccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc21 ZINC000567357997 448675411 /nfs/dbraw/zinc/67/54/11/448675411.db2.gz TULOBTVSNPPUJG-MRXNPFEDSA-N 2 2 345.447 1.394 20 0 EDADLP C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000528769283 448668204 /nfs/dbraw/zinc/66/82/04/448668204.db2.gz XBRUVIZDXUEKLO-RPUYLAQPSA-N 2 2 346.475 1.520 20 0 EDADLP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000567610759 448723129 /nfs/dbraw/zinc/72/31/29/448723129.db2.gz ZBANNOFKDIMJCD-QGZVFWFLSA-N 2 2 327.432 1.931 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2nc(-c3cccs3)no2)CC12CCOCC2 ZINC000579355236 448776170 /nfs/dbraw/zinc/77/61/70/448776170.db2.gz XIBVPZOEMKHNHP-LBPRGKRZSA-N 2 2 334.445 1.985 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)CC12CCOCC2 ZINC000579355236 448776176 /nfs/dbraw/zinc/77/61/76/448776176.db2.gz XIBVPZOEMKHNHP-LBPRGKRZSA-N 2 2 334.445 1.985 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2OCC2CC2)[C@H](C[NH3+])C1 ZINC000519590270 448793377 /nfs/dbraw/zinc/79/33/77/448793377.db2.gz CQZDFVSMUDTZIT-MRXNPFEDSA-N 2 2 332.448 1.260 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccccc2OCC2CC2)[C@H](C[NH3+])C1 ZINC000519590270 448793380 /nfs/dbraw/zinc/79/33/80/448793380.db2.gz CQZDFVSMUDTZIT-MRXNPFEDSA-N 2 2 332.448 1.260 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000579451517 448794656 /nfs/dbraw/zinc/79/46/56/448794656.db2.gz AWDMOWLHFHCRON-KURKYZTESA-N 2 2 344.459 1.063 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000529309257 448815985 /nfs/dbraw/zinc/81/59/85/448815985.db2.gz KDMZDNUTOCGWCN-INIZCTEOSA-N 2 2 342.447 1.715 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)C1CC1 ZINC000568371450 448862039 /nfs/dbraw/zinc/86/20/39/448862039.db2.gz FGKMGUNUIKVVGN-NCRRVARUSA-N 2 2 328.460 1.764 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000520834428 448935419 /nfs/dbraw/zinc/93/54/19/448935419.db2.gz BPBZXDUQFQDZHT-MRXNPFEDSA-N 2 2 331.460 1.680 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc2c1OCO2 ZINC000588690159 448916276 /nfs/dbraw/zinc/91/62/76/448916276.db2.gz AIEUSJAVGREYJV-KRWDZBQOSA-N 2 2 328.412 1.998 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc2c1OCO2 ZINC000588690159 448916283 /nfs/dbraw/zinc/91/62/83/448916283.db2.gz AIEUSJAVGREYJV-KRWDZBQOSA-N 2 2 328.412 1.998 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)NCC3([NH+](C)C)CCCC3)CC2)cn1 ZINC000520701454 448923968 /nfs/dbraw/zinc/92/39/68/448923968.db2.gz WWTICCPZEDYJCO-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000547804913 448931525 /nfs/dbraw/zinc/93/15/25/448931525.db2.gz VBFWGOSRASJUHC-UHFFFAOYSA-N 2 2 344.484 1.941 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CO1 ZINC000569236485 448988095 /nfs/dbraw/zinc/98/80/95/448988095.db2.gz QAUIQZVXTJUAFX-VPEURPPWSA-N 2 2 336.480 1.116 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CO1 ZINC000569236485 448988099 /nfs/dbraw/zinc/98/80/99/448988099.db2.gz QAUIQZVXTJUAFX-VPEURPPWSA-N 2 2 336.480 1.116 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)[C@H](C[NH3+])C1 ZINC000569323357 449000509 /nfs/dbraw/zinc/00/05/09/449000509.db2.gz MCHGUQHNLAZZTK-XQQFMLRXSA-N 2 2 336.402 1.782 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)[C@H](C[NH3+])C1 ZINC000569323357 449000511 /nfs/dbraw/zinc/00/05/11/449000511.db2.gz MCHGUQHNLAZZTK-XQQFMLRXSA-N 2 2 336.402 1.782 20 0 EDADLP CNc1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)[nH+]c2ccccc21 ZINC000575002769 449012280 /nfs/dbraw/zinc/01/22/80/449012280.db2.gz WRNRKHJWWXMCPA-HNNXBMFYSA-N 2 2 341.459 2.363 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000575027494 449016757 /nfs/dbraw/zinc/01/67/57/449016757.db2.gz VPAVLHVWMPYGNF-KRWDZBQOSA-N 2 2 345.491 1.687 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000548424466 449041225 /nfs/dbraw/zinc/04/12/25/449041225.db2.gz LBBZJOAMZITTMK-IYBDPMFKSA-N 2 2 343.471 1.748 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000548424466 449041228 /nfs/dbraw/zinc/04/12/28/449041228.db2.gz LBBZJOAMZITTMK-IYBDPMFKSA-N 2 2 343.471 1.748 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593733308 449168510 /nfs/dbraw/zinc/16/85/10/449168510.db2.gz LHZKLKQPTSVYMV-CJNGLKHVSA-N 2 2 333.432 1.861 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593733308 449168514 /nfs/dbraw/zinc/16/85/14/449168514.db2.gz LHZKLKQPTSVYMV-CJNGLKHVSA-N 2 2 333.432 1.861 20 0 EDADLP Cc1nc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000604163501 449183680 /nfs/dbraw/zinc/18/36/80/449183680.db2.gz HHFYJLUYWFJCSI-ZDUSSCGKSA-N 2 2 337.493 1.419 20 0 EDADLP Cc1nc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000604163501 449183688 /nfs/dbraw/zinc/18/36/88/449183688.db2.gz HHFYJLUYWFJCSI-ZDUSSCGKSA-N 2 2 337.493 1.419 20 0 EDADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209592 449193911 /nfs/dbraw/zinc/19/39/11/449193911.db2.gz VGLLWHBJKRAEEL-ARFHVFGLSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209592 449193915 /nfs/dbraw/zinc/19/39/15/449193915.db2.gz VGLLWHBJKRAEEL-ARFHVFGLSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000590627168 449226056 /nfs/dbraw/zinc/22/60/56/449226056.db2.gz VDNILKGNDFWULM-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000590627168 449226059 /nfs/dbraw/zinc/22/60/59/449226059.db2.gz VDNILKGNDFWULM-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CC[C@@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000590627168 449226063 /nfs/dbraw/zinc/22/60/63/449226063.db2.gz VDNILKGNDFWULM-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CC[C@@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000590627168 449226070 /nfs/dbraw/zinc/22/60/70/449226070.db2.gz VDNILKGNDFWULM-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595890072 449234473 /nfs/dbraw/zinc/23/44/73/449234473.db2.gz BGIOQPXNFPEBCY-MRXNPFEDSA-N 2 2 336.407 1.712 20 0 EDADLP CCOC(=O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595890072 449234479 /nfs/dbraw/zinc/23/44/79/449234479.db2.gz BGIOQPXNFPEBCY-MRXNPFEDSA-N 2 2 336.407 1.712 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCc3cc(OC)ccc3C2)CC1 ZINC000590789767 449294632 /nfs/dbraw/zinc/29/46/32/449294632.db2.gz OVKGHWHQIFDIGB-MRXNPFEDSA-N 2 2 345.487 1.996 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCc3cc(OC)ccc3C2)CC1 ZINC000590789767 449294636 /nfs/dbraw/zinc/29/46/36/449294636.db2.gz OVKGHWHQIFDIGB-MRXNPFEDSA-N 2 2 345.487 1.996 20 0 EDADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000590849808 449320387 /nfs/dbraw/zinc/32/03/87/449320387.db2.gz DNQABCUCUHWMJI-UHFFFAOYSA-N 2 2 348.495 1.256 20 0 EDADLP CN1CC[NH+](C(C)(C)CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000590849808 449320390 /nfs/dbraw/zinc/32/03/90/449320390.db2.gz DNQABCUCUHWMJI-UHFFFAOYSA-N 2 2 348.495 1.256 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C[C@H]1C ZINC000602132318 449370723 /nfs/dbraw/zinc/37/07/23/449370723.db2.gz XVAXZFIHULEYAW-GDBMZVCRSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C[C@H]1C ZINC000602132318 449370729 /nfs/dbraw/zinc/37/07/29/449370729.db2.gz XVAXZFIHULEYAW-GDBMZVCRSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)C[C@H]1C ZINC000602132318 449370733 /nfs/dbraw/zinc/37/07/33/449370733.db2.gz XVAXZFIHULEYAW-GDBMZVCRSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)C[C@H]1C ZINC000602132318 449370738 /nfs/dbraw/zinc/37/07/38/449370738.db2.gz XVAXZFIHULEYAW-GDBMZVCRSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)[C@H](C)C1 ZINC000602132701 449370861 /nfs/dbraw/zinc/37/08/61/449370861.db2.gz KHXWGKUXKBHPMB-CQSZACIVSA-N 2 2 344.415 1.352 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)[C@H](C)C1 ZINC000602132701 449370865 /nfs/dbraw/zinc/37/08/65/449370865.db2.gz KHXWGKUXKBHPMB-CQSZACIVSA-N 2 2 344.415 1.352 20 0 EDADLP CS[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@@H]1[NH+](C)C ZINC000602133935 449371882 /nfs/dbraw/zinc/37/18/82/449371882.db2.gz UZKCGSZJKRYPCE-HOCLYGCPSA-N 2 2 346.456 1.696 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccccc3CO)C2)CC1 ZINC000605969378 449432799 /nfs/dbraw/zinc/43/27/99/449432799.db2.gz ZMZSFVITJRXWPN-QGZVFWFLSA-N 2 2 346.475 1.147 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccccc3CO)C2)CC1 ZINC000605969378 449432803 /nfs/dbraw/zinc/43/28/03/449432803.db2.gz ZMZSFVITJRXWPN-QGZVFWFLSA-N 2 2 346.475 1.147 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC[C@](O)(C[NH+](C)C)C3)[nH+]c12 ZINC000614069004 449443948 /nfs/dbraw/zinc/44/39/48/449443948.db2.gz SQUHCNVXDWQSMY-SFHVURJKSA-N 2 2 330.432 1.100 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000611867922 449449808 /nfs/dbraw/zinc/44/98/08/449449808.db2.gz IODGZFKDVFDVKQ-HZPDHXFCSA-N 2 2 334.464 1.529 20 0 EDADLP CC(C)[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCOCC1 ZINC000606583916 449490379 /nfs/dbraw/zinc/49/03/79/449490379.db2.gz SVTNLURZRVHBRT-HNNXBMFYSA-N 2 2 331.420 1.813 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000600965275 449618272 /nfs/dbraw/zinc/61/82/72/449618272.db2.gz IXWMSQCFTLCEPW-RDJZCZTQSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000600965275 449618279 /nfs/dbraw/zinc/61/82/79/449618279.db2.gz IXWMSQCFTLCEPW-RDJZCZTQSA-N 2 2 348.466 1.547 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C2 ZINC000617508160 449658791 /nfs/dbraw/zinc/65/87/91/449658791.db2.gz VMQSBKIURLBKOZ-HOCLYGCPSA-N 3 2 335.496 1.142 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C2 ZINC000617508160 449658793 /nfs/dbraw/zinc/65/87/93/449658793.db2.gz VMQSBKIURLBKOZ-HOCLYGCPSA-N 3 2 335.496 1.142 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000607935946 449674025 /nfs/dbraw/zinc/67/40/25/449674025.db2.gz AZRYCHKRXNWJCW-OAHLLOKOSA-N 2 2 340.431 1.610 20 0 EDADLP C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC000601045775 449674714 /nfs/dbraw/zinc/67/47/14/449674714.db2.gz PJRUOTPGAICVFE-MRXNPFEDSA-N 2 2 345.487 1.979 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CCO1 ZINC000600982990 449633082 /nfs/dbraw/zinc/63/30/82/449633082.db2.gz JIPUIZBTXFEDFZ-CZUORRHYSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CCO1 ZINC000600982990 449633087 /nfs/dbraw/zinc/63/30/87/449633087.db2.gz JIPUIZBTXFEDFZ-CZUORRHYSA-N 2 2 339.867 1.780 20 0 EDADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000612334046 449648960 /nfs/dbraw/zinc/64/89/60/449648960.db2.gz XTYOPMNWSCCSHI-UHFFFAOYSA-N 2 2 348.495 1.209 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@H]2CCCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000601201440 449747634 /nfs/dbraw/zinc/74/76/34/449747634.db2.gz ORDGPASQZCWGSJ-OAHLLOKOSA-N 2 2 334.464 2.425 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@H]2CCCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000601201440 449747641 /nfs/dbraw/zinc/74/76/41/449747641.db2.gz ORDGPASQZCWGSJ-OAHLLOKOSA-N 2 2 334.464 2.425 20 0 EDADLP CC(C)(C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1c[nH]c[nH+]1 ZINC000617703493 449752103 /nfs/dbraw/zinc/75/21/03/449752103.db2.gz JQKHYIPDWLLXBZ-INIZCTEOSA-N 2 2 342.443 1.570 20 0 EDADLP CC(C)(C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1c[nH]c[nH+]1 ZINC000617703493 449752106 /nfs/dbraw/zinc/75/21/06/449752106.db2.gz JQKHYIPDWLLXBZ-INIZCTEOSA-N 2 2 342.443 1.570 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000594946621 449816969 /nfs/dbraw/zinc/81/69/69/449816969.db2.gz PFARMSTWJJCLLJ-IAGOWNOFSA-N 2 2 348.495 1.083 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000594946621 449816978 /nfs/dbraw/zinc/81/69/78/449816978.db2.gz PFARMSTWJJCLLJ-IAGOWNOFSA-N 2 2 348.495 1.083 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC[C@@H](C)[NH+](C)C)c2)cc[nH+]1 ZINC000617757276 449819646 /nfs/dbraw/zinc/81/96/46/449819646.db2.gz ZSMGZSYEMOSBQZ-CQSZACIVSA-N 2 2 341.459 2.467 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000608363708 449819776 /nfs/dbraw/zinc/81/97/76/449819776.db2.gz IIJVJGJFHGMOJQ-KRWDZBQOSA-N 2 2 347.507 1.812 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn2c1 ZINC000594977710 449826310 /nfs/dbraw/zinc/82/63/10/449826310.db2.gz IXJPOGMGEDVXPF-HNNXBMFYSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn2c1 ZINC000594977710 449826317 /nfs/dbraw/zinc/82/63/17/449826317.db2.gz IXJPOGMGEDVXPF-HNNXBMFYSA-N 2 2 327.432 1.926 20 0 EDADLP COc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000617766435 449828392 /nfs/dbraw/zinc/82/83/92/449828392.db2.gz KBRRHPPRBZEHJS-UHFFFAOYSA-N 2 2 327.856 1.962 20 0 EDADLP COc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000617766435 449828397 /nfs/dbraw/zinc/82/83/97/449828397.db2.gz KBRRHPPRBZEHJS-UHFFFAOYSA-N 2 2 327.856 1.962 20 0 EDADLP Cn1cc(-c2cncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2)cn1 ZINC000617766443 449828585 /nfs/dbraw/zinc/82/85/85/449828585.db2.gz KNYUUQHHFDNXRS-UHFFFAOYSA-N 2 2 344.463 1.095 20 0 EDADLP Cn1cc(-c2cncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2)cn1 ZINC000617766443 449828591 /nfs/dbraw/zinc/82/85/91/449828591.db2.gz KNYUUQHHFDNXRS-UHFFFAOYSA-N 2 2 344.463 1.095 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000617767286 449830960 /nfs/dbraw/zinc/83/09/60/449830960.db2.gz NMPZUGOKXWXGGR-UHFFFAOYSA-N 3 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000617767286 449830965 /nfs/dbraw/zinc/83/09/65/449830965.db2.gz NMPZUGOKXWXGGR-UHFFFAOYSA-N 3 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-n2ccnc2)cc1 ZINC000617767286 449830978 /nfs/dbraw/zinc/83/09/78/449830978.db2.gz NMPZUGOKXWXGGR-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-n2ccnc2)cc1 ZINC000617767286 449830983 /nfs/dbraw/zinc/83/09/83/449830983.db2.gz NMPZUGOKXWXGGR-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1-c1ccccc1 ZINC000617768301 449832964 /nfs/dbraw/zinc/83/29/64/449832964.db2.gz XZIXCISNBCQOMI-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1-c1ccccc1 ZINC000617768301 449832971 /nfs/dbraw/zinc/83/29/71/449832971.db2.gz XZIXCISNBCQOMI-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP COC(=O)[C@H](c1cccc(OC)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000601327111 449834758 /nfs/dbraw/zinc/83/47/58/449834758.db2.gz ZFFXGNGVKDLHGG-RDJZCZTQSA-N 2 2 348.443 1.597 20 0 EDADLP COC(=O)[C@H](c1cccc(OC)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000601327111 449834763 /nfs/dbraw/zinc/83/47/63/449834763.db2.gz ZFFXGNGVKDLHGG-RDJZCZTQSA-N 2 2 348.443 1.597 20 0 EDADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1C ZINC000594874660 449790248 /nfs/dbraw/zinc/79/02/48/449790248.db2.gz MVOTYQBYVGOYCL-WBVHZDCISA-N 2 2 329.444 1.558 20 0 EDADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1C ZINC000594874660 449790252 /nfs/dbraw/zinc/79/02/52/449790252.db2.gz MVOTYQBYVGOYCL-WBVHZDCISA-N 2 2 329.444 1.558 20 0 EDADLP C[NH+]1CCN(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000599291612 449866146 /nfs/dbraw/zinc/86/61/46/449866146.db2.gz LFYXAIMZSYBILD-INIZCTEOSA-N 2 2 334.464 1.170 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000597255220 449899370 /nfs/dbraw/zinc/89/93/70/449899370.db2.gz GEWHSFBGRDSHLW-UHFFFAOYSA-N 2 2 326.481 1.935 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000599299275 449873412 /nfs/dbraw/zinc/87/34/12/449873412.db2.gz IECUNMIUIIEQKA-GOSISDBHSA-N 2 2 331.460 1.694 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000599299275 449873416 /nfs/dbraw/zinc/87/34/16/449873416.db2.gz IECUNMIUIIEQKA-GOSISDBHSA-N 2 2 331.460 1.694 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612823048 449894480 /nfs/dbraw/zinc/89/44/80/449894480.db2.gz UKKDVKAWEIQGQL-INIZCTEOSA-N 2 2 347.463 1.390 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000612966007 449961979 /nfs/dbraw/zinc/96/19/79/449961979.db2.gz LORNYFOVZRPKLZ-OAHLLOKOSA-N 2 2 332.448 1.991 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157613 449970741 /nfs/dbraw/zinc/97/07/41/449970741.db2.gz KMZAFPXOFZUIBE-BZUAXINKSA-N 2 2 347.463 1.925 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157613 449970745 /nfs/dbraw/zinc/97/07/45/449970745.db2.gz KMZAFPXOFZUIBE-BZUAXINKSA-N 2 2 347.463 1.925 20 0 EDADLP CN(C(=O)CCc1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477199 450001336 /nfs/dbraw/zinc/00/13/36/450001336.db2.gz GDFVXDNZLWJWLB-GOSISDBHSA-N 2 2 330.476 1.641 20 0 EDADLP CN(C(=O)CCc1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477199 450001344 /nfs/dbraw/zinc/00/13/44/450001344.db2.gz GDFVXDNZLWJWLB-GOSISDBHSA-N 2 2 330.476 1.641 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615443131 450099206 /nfs/dbraw/zinc/09/92/06/450099206.db2.gz AIJHMPLPXUNQOM-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615443131 450099212 /nfs/dbraw/zinc/09/92/12/450099212.db2.gz AIJHMPLPXUNQOM-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000615553790 450142364 /nfs/dbraw/zinc/14/23/64/450142364.db2.gz UVNNBNPSVKUECO-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP COC(=O)c1ccoc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250416 450163572 /nfs/dbraw/zinc/16/35/72/450163572.db2.gz GLJYZZMPDKBHDY-OAHLLOKOSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1ccoc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250416 450163577 /nfs/dbraw/zinc/16/35/77/450163577.db2.gz GLJYZZMPDKBHDY-OAHLLOKOSA-N 2 2 335.448 1.667 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610257140 450171714 /nfs/dbraw/zinc/17/17/14/450171714.db2.gz UBTAZQZKHKSQBD-MRXNPFEDSA-N 2 2 343.537 1.385 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c[nH+]1 ZINC000601790062 450241266 /nfs/dbraw/zinc/24/12/66/450241266.db2.gz MTPNVGNYKCMPHJ-CVEARBPZSA-N 2 2 331.464 1.916 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c[nH+]1 ZINC000601790062 450241269 /nfs/dbraw/zinc/24/12/69/450241269.db2.gz MTPNVGNYKCMPHJ-CVEARBPZSA-N 2 2 331.464 1.916 20 0 EDADLP CN(C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1c[nH+]cn1C ZINC000622703883 450283078 /nfs/dbraw/zinc/28/30/78/450283078.db2.gz DJLHWXLLMAVERY-MRXNPFEDSA-N 2 2 333.411 1.862 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603430972 450298865 /nfs/dbraw/zinc/29/88/65/450298865.db2.gz DIZMKKGACPBZOI-MNOVXSKESA-N 2 2 325.434 1.579 20 0 EDADLP CCc1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnn1C ZINC000622792573 450305194 /nfs/dbraw/zinc/30/51/94/450305194.db2.gz ZYHXRKFPBNOPGD-UHFFFAOYSA-N 2 2 333.480 1.271 20 0 EDADLP CSC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613861678 450342012 /nfs/dbraw/zinc/34/20/12/450342012.db2.gz YRIWVWUEWBLSCX-UKRRQHHQSA-N 2 2 328.526 1.548 20 0 EDADLP CSC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613861678 450342016 /nfs/dbraw/zinc/34/20/16/450342016.db2.gz YRIWVWUEWBLSCX-UKRRQHHQSA-N 2 2 328.526 1.548 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)CC2)CC1 ZINC000623259229 450467400 /nfs/dbraw/zinc/46/74/00/450467400.db2.gz VVDPPNLMBCSNAY-MRXNPFEDSA-N 3 2 345.491 1.120 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)cc2)CC1 ZINC000623267163 450471273 /nfs/dbraw/zinc/47/12/73/450471273.db2.gz LSMBAVGXAZYPML-MRXNPFEDSA-N 2 2 339.443 1.380 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000623271048 450472503 /nfs/dbraw/zinc/47/25/03/450472503.db2.gz RJZOKNCBNKPNOF-HZPDHXFCSA-N 2 2 325.416 1.231 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000623271048 450472504 /nfs/dbraw/zinc/47/25/04/450472504.db2.gz RJZOKNCBNKPNOF-HZPDHXFCSA-N 2 2 325.416 1.231 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2n1C ZINC000620479341 450499099 /nfs/dbraw/zinc/49/90/99/450499099.db2.gz SUKPTALVOBPYNK-MRXNPFEDSA-N 2 2 342.443 1.553 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)cc2n1C ZINC000620479341 450499100 /nfs/dbraw/zinc/49/91/00/450499100.db2.gz SUKPTALVOBPYNK-MRXNPFEDSA-N 2 2 342.443 1.553 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000623420025 450519771 /nfs/dbraw/zinc/51/97/71/450519771.db2.gz JVJDNPRRZJMZFV-IRXDYDNUSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000623420025 450519773 /nfs/dbraw/zinc/51/97/73/450519773.db2.gz JVJDNPRRZJMZFV-IRXDYDNUSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000620772597 450541517 /nfs/dbraw/zinc/54/15/17/450541517.db2.gz NVYKTEQOOAPBQF-NVXWUHKLSA-N 2 2 333.501 1.814 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000620772597 450541518 /nfs/dbraw/zinc/54/15/18/450541518.db2.gz NVYKTEQOOAPBQF-NVXWUHKLSA-N 2 2 333.501 1.814 20 0 EDADLP CC(C)(C)n1nnc(CC[NH+]2CCC(C)([NH+]3CCOCC3)CC2)n1 ZINC000625960480 450544050 /nfs/dbraw/zinc/54/40/50/450544050.db2.gz GGFALUBMBSPDDP-UHFFFAOYSA-N 2 2 336.484 1.157 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000625998420 450551385 /nfs/dbraw/zinc/55/13/85/450551385.db2.gz JKJLRDMRHPDKSE-INIZCTEOSA-N 2 2 336.480 1.904 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000625998420 450551386 /nfs/dbraw/zinc/55/13/86/450551386.db2.gz JKJLRDMRHPDKSE-INIZCTEOSA-N 2 2 336.480 1.904 20 0 EDADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618957 450553053 /nfs/dbraw/zinc/55/30/53/450553053.db2.gz LVTVEFQDZXXHFX-INIZCTEOSA-N 2 2 335.496 1.684 20 0 EDADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618957 450553054 /nfs/dbraw/zinc/55/30/54/450553054.db2.gz LVTVEFQDZXXHFX-INIZCTEOSA-N 2 2 335.496 1.684 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620917165 450560972 /nfs/dbraw/zinc/56/09/72/450560972.db2.gz BYYULWRVGDGAMG-GOEBONIOSA-N 2 2 334.464 1.690 20 0 EDADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000623836786 450609547 /nfs/dbraw/zinc/60/95/47/450609547.db2.gz JNFHUWDFYWGPLU-HNNXBMFYSA-N 2 2 344.415 1.004 20 0 EDADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000623836786 450609552 /nfs/dbraw/zinc/60/95/52/450609552.db2.gz JNFHUWDFYWGPLU-HNNXBMFYSA-N 2 2 344.415 1.004 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C[NH3+] ZINC000633026201 450621209 /nfs/dbraw/zinc/62/12/09/450621209.db2.gz UFFQVSBBJVHTDL-TZMCWYRMSA-N 2 2 341.415 1.079 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3ccc(O)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000631536745 450642414 /nfs/dbraw/zinc/64/24/14/450642414.db2.gz LTASVFJARCJQRJ-UHFFFAOYSA-N 2 2 328.420 1.274 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000633082127 450668779 /nfs/dbraw/zinc/66/87/79/450668779.db2.gz OGYBTMHUNPUYFZ-HNNXBMFYSA-N 2 2 349.504 1.528 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000633082127 450668785 /nfs/dbraw/zinc/66/87/85/450668785.db2.gz OGYBTMHUNPUYFZ-HNNXBMFYSA-N 2 2 349.504 1.528 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccnn2CC2CCC2)CC1 ZINC000631625209 450682572 /nfs/dbraw/zinc/68/25/72/450682572.db2.gz LONWPZOUQOKSDB-UHFFFAOYSA-N 2 2 333.480 1.439 20 0 EDADLP C[NH+](C)[C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)Cc1ccccc1 ZINC000631661015 450701165 /nfs/dbraw/zinc/70/11/65/450701165.db2.gz HOIKTHTUDDDYTL-INIZCTEOSA-N 2 2 339.505 1.173 20 0 EDADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000624084882 450701046 /nfs/dbraw/zinc/70/10/46/450701046.db2.gz VJXJJBCPTGWGQV-WBVHZDCISA-N 2 2 346.475 1.642 20 0 EDADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000624084882 450701049 /nfs/dbraw/zinc/70/10/49/450701049.db2.gz VJXJJBCPTGWGQV-WBVHZDCISA-N 2 2 346.475 1.642 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000635158808 450704119 /nfs/dbraw/zinc/70/41/19/450704119.db2.gz XKXBSTDJUDSLMH-MRXNPFEDSA-N 2 2 341.459 1.320 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000635158808 450704126 /nfs/dbraw/zinc/70/41/26/450704126.db2.gz XKXBSTDJUDSLMH-MRXNPFEDSA-N 2 2 341.459 1.320 20 0 EDADLP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)n1cncn1 ZINC000631690716 450716838 /nfs/dbraw/zinc/71/68/38/450716838.db2.gz IISLSCHYFDMRAX-ZIAGYGMSSA-N 2 2 347.385 1.615 20 0 EDADLP O=C(Nc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1)C1CCC1 ZINC000629554792 450733624 /nfs/dbraw/zinc/73/36/24/450733624.db2.gz RIAOHCMOOCCEKI-SFHVURJKSA-N 2 2 331.460 1.972 20 0 EDADLP O=C1Nc2ccccc2C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624182534 450737586 /nfs/dbraw/zinc/73/75/86/450737586.db2.gz HZKKPCIOURMKNA-FUHWJXTLSA-N 2 2 329.444 1.783 20 0 EDADLP C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629567626 450741373 /nfs/dbraw/zinc/74/13/73/450741373.db2.gz YXZKONXLUYTVDH-AZUAARDMSA-N 2 2 346.519 1.243 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629567626 450741375 /nfs/dbraw/zinc/74/13/75/450741375.db2.gz YXZKONXLUYTVDH-AZUAARDMSA-N 2 2 346.519 1.243 20 0 EDADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624227702 450756208 /nfs/dbraw/zinc/75/62/08/450756208.db2.gz YDIUEJSGQQAMRY-SUMWQHHRSA-N 2 2 332.448 1.688 20 0 EDADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624227702 450756210 /nfs/dbraw/zinc/75/62/10/450756210.db2.gz YDIUEJSGQQAMRY-SUMWQHHRSA-N 2 2 332.448 1.688 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CC1(F)F ZINC000621551616 450768463 /nfs/dbraw/zinc/76/84/63/450768463.db2.gz DNMZAZXDLCLELL-CYBMUJFWSA-N 2 2 332.439 1.699 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CC1(F)F ZINC000621551616 450768468 /nfs/dbraw/zinc/76/84/68/450768468.db2.gz DNMZAZXDLCLELL-CYBMUJFWSA-N 2 2 332.439 1.699 20 0 EDADLP C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000631787184 450777425 /nfs/dbraw/zinc/77/74/25/450777425.db2.gz BPZSBRCSVLARPV-GDBMZVCRSA-N 2 2 330.436 1.365 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)C2)C1 ZINC000624352317 450803471 /nfs/dbraw/zinc/80/34/71/450803471.db2.gz SIUNLLUOAGPLCA-QGZVFWFLSA-N 2 2 337.427 1.252 20 0 EDADLP O[C@@H]1CC[N@H+](C2CN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)C2)C1 ZINC000624352317 450803478 /nfs/dbraw/zinc/80/34/78/450803478.db2.gz SIUNLLUOAGPLCA-QGZVFWFLSA-N 2 2 337.427 1.252 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H](C)O[C@H]3C)CC2)CC1 ZINC000633458794 450860804 /nfs/dbraw/zinc/86/08/04/450860804.db2.gz MPMRDZHZNBBTLE-SOLBZPMBSA-N 2 2 337.508 1.819 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H](C)O[C@H]3C)CC2)CC1 ZINC000633458794 450860810 /nfs/dbraw/zinc/86/08/10/450860810.db2.gz MPMRDZHZNBBTLE-SOLBZPMBSA-N 2 2 337.508 1.819 20 0 EDADLP Cc1cccc(COCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000621902028 450927111 /nfs/dbraw/zinc/92/71/11/450927111.db2.gz SITDXZVEMAVWRZ-UHFFFAOYSA-N 2 2 333.476 1.654 20 0 EDADLP CCc1cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)nc(C)[nH+]1 ZINC000624708997 450959873 /nfs/dbraw/zinc/95/98/73/450959873.db2.gz ZCCGNBQOMXHVAG-QGZVFWFLSA-N 2 2 327.432 2.055 20 0 EDADLP CCc1cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)nc(C)[nH+]1 ZINC000624708997 450959878 /nfs/dbraw/zinc/95/98/78/450959878.db2.gz ZCCGNBQOMXHVAG-QGZVFWFLSA-N 2 2 327.432 2.055 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000627826484 450960895 /nfs/dbraw/zinc/96/08/95/450960895.db2.gz ZGLKGNJUQWVKMA-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000627826484 450960897 /nfs/dbraw/zinc/96/08/97/450960897.db2.gz ZGLKGNJUQWVKMA-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)C2 ZINC000622003935 450983018 /nfs/dbraw/zinc/98/30/18/450983018.db2.gz HOSOYCUVOMFMIS-YLJYHZDGSA-N 2 2 343.471 1.905 20 0 EDADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)C2 ZINC000622003935 450983023 /nfs/dbraw/zinc/98/30/23/450983023.db2.gz HOSOYCUVOMFMIS-YLJYHZDGSA-N 2 2 343.471 1.905 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626923031 451006508 /nfs/dbraw/zinc/00/65/08/451006508.db2.gz KBIOGMIMENKNFF-CQSZACIVSA-N 2 2 331.420 1.022 20 0 EDADLP C[NH2+]CCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000626926598 451009771 /nfs/dbraw/zinc/00/97/71/451009771.db2.gz BMOLQQNNYNUVMJ-HNNXBMFYSA-N 2 2 331.420 1.045 20 0 EDADLP O=C(NC1CC([NH+]2CCOCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000627929918 451028035 /nfs/dbraw/zinc/02/80/35/451028035.db2.gz IREXRBRQJBFIDP-UHFFFAOYSA-N 2 2 340.427 1.524 20 0 EDADLP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)CC(C)(C)C ZINC000635546733 451042591 /nfs/dbraw/zinc/04/25/91/451042591.db2.gz QJFNDVGFIWEBGJ-MRXNPFEDSA-N 2 2 325.497 1.678 20 0 EDADLP C[N@@H+](CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)CC(C)(C)C ZINC000635546733 451042594 /nfs/dbraw/zinc/04/25/94/451042594.db2.gz QJFNDVGFIWEBGJ-MRXNPFEDSA-N 2 2 325.497 1.678 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000628062090 451113035 /nfs/dbraw/zinc/11/30/35/451113035.db2.gz WOHJEASOEDIEIR-RBUKOAKNSA-N 3 2 346.519 1.332 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000628062090 451113041 /nfs/dbraw/zinc/11/30/41/451113041.db2.gz WOHJEASOEDIEIR-RBUKOAKNSA-N 3 2 346.519 1.332 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000628062090 451113046 /nfs/dbraw/zinc/11/30/46/451113046.db2.gz WOHJEASOEDIEIR-RBUKOAKNSA-N 3 2 346.519 1.332 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000628062090 451113050 /nfs/dbraw/zinc/11/30/50/451113050.db2.gz WOHJEASOEDIEIR-RBUKOAKNSA-N 3 2 346.519 1.332 20 0 EDADLP Cc1cc(NCCNC(=O)NCCC2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627111522 451128569 /nfs/dbraw/zinc/12/85/69/451128569.db2.gz RMYKCQPLRDMWOD-UHFFFAOYSA-N 2 2 348.495 2.009 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000627167910 451161249 /nfs/dbraw/zinc/16/12/49/451161249.db2.gz NKHSDRKZJAUWGB-HYVNUMGLSA-N 2 2 331.464 1.610 20 0 EDADLP C[NH+](C)CCOC1CC[NH+](Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000628170338 451167258 /nfs/dbraw/zinc/16/72/58/451167258.db2.gz WZEJHFFPEUZMOT-UHFFFAOYSA-N 2 2 347.438 1.949 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627179644 451168968 /nfs/dbraw/zinc/16/89/68/451168968.db2.gz YMGUDFCRVRVHQV-TZMCWYRMSA-N 2 2 334.468 1.760 20 0 EDADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)[nH+]1 ZINC000635689818 451171487 /nfs/dbraw/zinc/17/14/87/451171487.db2.gz YGAINCDIWMNZDY-CQSZACIVSA-N 2 2 328.416 1.870 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627198107 451181450 /nfs/dbraw/zinc/18/14/50/451181450.db2.gz IOFRHAKEPSXOJE-HLLBOEOZSA-N 2 2 331.464 1.610 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000635710133 451188944 /nfs/dbraw/zinc/18/89/44/451188944.db2.gz ISMWHMAGGFMTHD-CHWSQXEVSA-N 2 2 348.369 1.340 20 0 EDADLP CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1ccco1 ZINC000632328757 451201217 /nfs/dbraw/zinc/20/12/17/451201217.db2.gz HZWDHSDLUDGGEF-ZIAGYGMSSA-N 2 2 343.493 1.722 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000627247308 451207285 /nfs/dbraw/zinc/20/72/85/451207285.db2.gz JNEKMVBTYMHTSH-CQSZACIVSA-N 2 2 336.411 1.023 20 0 EDADLP CO[C@H]1COCC[C@H]1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193020 451228239 /nfs/dbraw/zinc/22/82/39/451228239.db2.gz CEMARWMEWFWMMR-HOCLYGCPSA-N 2 2 348.447 1.214 20 0 EDADLP CC[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)N1CCCC1=O ZINC000634195937 451233370 /nfs/dbraw/zinc/23/33/70/451233370.db2.gz KDHQHNAAMYWSNY-OAHLLOKOSA-N 2 2 345.447 1.173 20 0 EDADLP C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195915 451234217 /nfs/dbraw/zinc/23/42/17/451234217.db2.gz JNEOMCADWVPOAD-BBRMVZONSA-N 2 2 330.432 1.777 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302622 451286734 /nfs/dbraw/zinc/28/67/34/451286734.db2.gz MTFOJHSJBBANOY-HNNXBMFYSA-N 2 2 334.489 1.735 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302622 451286739 /nfs/dbraw/zinc/28/67/39/451286739.db2.gz MTFOJHSJBBANOY-HNNXBMFYSA-N 2 2 334.489 1.735 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635834376 451284655 /nfs/dbraw/zinc/28/46/55/451284655.db2.gz DJXZQJZUANFTGB-UHFFFAOYSA-N 2 2 330.388 1.030 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635834376 451284659 /nfs/dbraw/zinc/28/46/59/451284659.db2.gz DJXZQJZUANFTGB-UHFFFAOYSA-N 2 2 330.388 1.030 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000638122919 451292229 /nfs/dbraw/zinc/29/22/29/451292229.db2.gz SLKLQOWFPGEMJB-KRWDZBQOSA-N 2 2 335.448 1.264 20 0 EDADLP C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638136911 451310572 /nfs/dbraw/zinc/31/05/72/451310572.db2.gz CEWCQPUPOBADGL-APWZRJJASA-N 2 2 345.535 1.757 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638136911 451310576 /nfs/dbraw/zinc/31/05/76/451310576.db2.gz CEWCQPUPOBADGL-APWZRJJASA-N 2 2 345.535 1.757 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638138212 451313358 /nfs/dbraw/zinc/31/33/58/451313358.db2.gz XWYULVCYKLAUAR-SFHVURJKSA-N 2 2 348.491 1.229 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638138212 451313366 /nfs/dbraw/zinc/31/33/66/451313366.db2.gz XWYULVCYKLAUAR-SFHVURJKSA-N 2 2 348.491 1.229 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640443581 451319773 /nfs/dbraw/zinc/31/97/73/451319773.db2.gz PJCDRQYPTLHIHL-HNNXBMFYSA-N 2 2 325.416 1.579 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638120354 451288211 /nfs/dbraw/zinc/28/82/11/451288211.db2.gz FVKYGFQMAKOPNN-DOTOQJQBSA-N 2 2 332.448 1.263 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(OC)cc1)C1CC1 ZINC000628667462 451362896 /nfs/dbraw/zinc/36/28/96/451362896.db2.gz PRTDSAAILYSGJT-QGZVFWFLSA-N 2 2 331.460 1.870 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H]1CC[NH+]1Cc1ccc(OC)cc1)C1CC1 ZINC000628667462 451362900 /nfs/dbraw/zinc/36/29/00/451362900.db2.gz PRTDSAAILYSGJT-QGZVFWFLSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C1CC1 ZINC000628667462 451362905 /nfs/dbraw/zinc/36/29/05/451362905.db2.gz PRTDSAAILYSGJT-QGZVFWFLSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)C1CC1 ZINC000628667462 451362911 /nfs/dbraw/zinc/36/29/11/451362911.db2.gz PRTDSAAILYSGJT-QGZVFWFLSA-N 2 2 331.460 1.870 20 0 EDADLP Cc1nc(N)c(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c[nH+]1 ZINC000635922625 451367788 /nfs/dbraw/zinc/36/77/88/451367788.db2.gz WJJNXLOXHMDDDG-JTQLQIEISA-N 2 2 328.298 1.374 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2c(cn1)OCCO2 ZINC000638179014 451340503 /nfs/dbraw/zinc/34/05/03/451340503.db2.gz HCCYYNVEVQPUJX-OAGGEKHMSA-N 2 2 333.432 1.536 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(cn1)OCCO2 ZINC000638179014 451340508 /nfs/dbraw/zinc/34/05/08/451340508.db2.gz HCCYYNVEVQPUJX-OAGGEKHMSA-N 2 2 333.432 1.536 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc2c(c[nH+]1)OCCO2 ZINC000638179014 451340513 /nfs/dbraw/zinc/34/05/13/451340513.db2.gz HCCYYNVEVQPUJX-OAGGEKHMSA-N 2 2 333.432 1.536 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638278044 451396540 /nfs/dbraw/zinc/39/65/40/451396540.db2.gz PULZHAIIVXSFET-KSSFIOAISA-N 2 2 335.423 1.409 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CCC[N@H+]1CCCO ZINC000635976141 451410154 /nfs/dbraw/zinc/41/01/54/451410154.db2.gz WJSYQEYQLXHJTI-OLZOCXBDSA-N 2 2 348.369 1.340 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640571345 451415820 /nfs/dbraw/zinc/41/58/20/451415820.db2.gz MVFLSUAOBNTDNR-OAHLLOKOSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640571345 451415826 /nfs/dbraw/zinc/41/58/26/451415826.db2.gz MVFLSUAOBNTDNR-OAHLLOKOSA-N 2 2 348.495 1.291 20 0 EDADLP Cn1ncnc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000638355666 451457695 /nfs/dbraw/zinc/45/76/95/451457695.db2.gz PRVGPWNNBILCHQ-QGZVFWFLSA-N 2 2 328.464 1.284 20 0 EDADLP Cn1ncnc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000638355666 451457703 /nfs/dbraw/zinc/45/77/03/451457703.db2.gz PRVGPWNNBILCHQ-QGZVFWFLSA-N 2 2 328.464 1.284 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccn1 ZINC000640611611 451458775 /nfs/dbraw/zinc/45/87/75/451458775.db2.gz IJDANKBFMYGSGM-HNNXBMFYSA-N 2 2 340.431 1.939 20 0 EDADLP O[C@H](C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)CC1(O)CCOCC1 ZINC000634698558 451470652 /nfs/dbraw/zinc/47/06/52/451470652.db2.gz PSLBDWQFSTUQQR-SFHVURJKSA-N 2 2 345.443 1.314 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)CC1(O)CCOCC1 ZINC000634704259 451481455 /nfs/dbraw/zinc/48/14/55/451481455.db2.gz IUBGTXVKPKKQAY-MOPGFXCFSA-N 2 2 348.487 1.533 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)CC1(O)CCOCC1 ZINC000634704259 451481457 /nfs/dbraw/zinc/48/14/57/451481457.db2.gz IUBGTXVKPKKQAY-MOPGFXCFSA-N 2 2 348.487 1.533 20 0 EDADLP CCO[C@@H]1CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C[C@H]1C[NH3+] ZINC000638390556 451481837 /nfs/dbraw/zinc/48/18/37/451481837.db2.gz NGSJVSRUSYZGCW-IJLUTSLNSA-N 2 2 334.342 1.199 20 0 EDADLP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000634705450 451482693 /nfs/dbraw/zinc/48/26/93/451482693.db2.gz ARCINFGYMLUXND-ICSRJNTNSA-N 3 2 347.503 1.181 20 0 EDADLP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000634705450 451482697 /nfs/dbraw/zinc/48/26/97/451482697.db2.gz ARCINFGYMLUXND-ICSRJNTNSA-N 3 2 347.503 1.181 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000634708081 451487082 /nfs/dbraw/zinc/48/70/82/451487082.db2.gz PUROQTAYZXXUMC-NZSAHSFTSA-N 2 2 348.487 1.532 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000634708081 451487085 /nfs/dbraw/zinc/48/70/85/451487085.db2.gz PUROQTAYZXXUMC-NZSAHSFTSA-N 2 2 348.487 1.532 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000638405431 451493138 /nfs/dbraw/zinc/49/31/38/451493138.db2.gz ZUTAXNRYJIDDRT-UHFFFAOYSA-N 2 2 328.482 1.503 20 0 EDADLP Cc1cc(NCC[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)nc(C(C)C)[nH+]1 ZINC000634721693 451502626 /nfs/dbraw/zinc/50/26/26/451502626.db2.gz DBMQFWNMSCVGBS-CRAIPNDOSA-N 2 2 336.480 1.822 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638427319 451509588 /nfs/dbraw/zinc/50/95/88/451509588.db2.gz OTGNLPPYZXKPGE-ZBFHGGJFSA-N 2 2 329.448 1.540 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638427319 451509594 /nfs/dbraw/zinc/50/95/94/451509594.db2.gz OTGNLPPYZXKPGE-ZBFHGGJFSA-N 2 2 329.448 1.540 20 0 EDADLP Cc1nc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000631043184 451549218 /nfs/dbraw/zinc/54/92/18/451549218.db2.gz NBIJPQNCLMHJID-CYBMUJFWSA-N 2 2 332.477 2.131 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC([C@@H]4CC[NH2+]C4)CC3)[nH+]cn2)CC1 ZINC000634809371 451565794 /nfs/dbraw/zinc/56/57/94/451565794.db2.gz QRAJMGOUDGGQLH-MRXNPFEDSA-N 2 2 345.491 1.654 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC([C@@H]4CC[NH2+]C4)CC3)nc[nH+]2)CC1 ZINC000634809371 451565799 /nfs/dbraw/zinc/56/57/99/451565799.db2.gz QRAJMGOUDGGQLH-MRXNPFEDSA-N 2 2 345.491 1.654 20 0 EDADLP CCn1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000631074353 451569244 /nfs/dbraw/zinc/56/92/44/451569244.db2.gz ABDRXCUSUPDZTP-UHFFFAOYSA-N 2 2 344.459 1.904 20 0 EDADLP COC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000631099796 451583093 /nfs/dbraw/zinc/58/30/93/451583093.db2.gz NGIWXQPBJDDYGL-IBGZPJMESA-N 2 2 334.460 1.912 20 0 EDADLP Cc1cc(NCCNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000638583944 451589039 /nfs/dbraw/zinc/58/90/39/451589039.db2.gz OTSCDFSXRHRXSK-HOCLYGCPSA-N 2 2 347.507 2.462 20 0 EDADLP Cn1c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc2ccccc21 ZINC000638599697 451598218 /nfs/dbraw/zinc/59/82/18/451598218.db2.gz REEZCCKXPKQAEK-SFHVURJKSA-N 2 2 342.487 1.674 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000631153348 451612539 /nfs/dbraw/zinc/61/25/39/451612539.db2.gz ZHZAJTUJFQPLML-INIZCTEOSA-N 2 2 333.480 2.156 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638611215 451605541 /nfs/dbraw/zinc/60/55/41/451605541.db2.gz MWGRJJDZVYFFNF-OLZOCXBDSA-N 2 2 331.338 1.152 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638611215 451605546 /nfs/dbraw/zinc/60/55/46/451605546.db2.gz MWGRJJDZVYFFNF-OLZOCXBDSA-N 2 2 331.338 1.152 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C[N@@H+]1Cc1ccccc1 ZINC000636919117 451606413 /nfs/dbraw/zinc/60/64/13/451606413.db2.gz KXKZEBGYEONWAA-HYVNUMGLSA-N 2 2 339.443 1.770 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C[N@H+]1Cc1ccccc1 ZINC000636919117 451606420 /nfs/dbraw/zinc/60/64/20/451606420.db2.gz KXKZEBGYEONWAA-HYVNUMGLSA-N 2 2 339.443 1.770 20 0 EDADLP C[NH+]1CCN(c2ccc(N[C@@H]3CCCS(=O)(=O)CC3)[nH+]c2)CC1 ZINC000634954534 451621450 /nfs/dbraw/zinc/62/14/50/451621450.db2.gz HPKFHSCHAIOYGH-CQSZACIVSA-N 2 2 338.477 1.213 20 0 EDADLP Cc1nc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631177852 451626704 /nfs/dbraw/zinc/62/67/04/451626704.db2.gz ATECFDXTLIWYOY-BBRMVZONSA-N 2 2 326.448 1.897 20 0 EDADLP Cc1nc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631177852 451626711 /nfs/dbraw/zinc/62/67/11/451626711.db2.gz ATECFDXTLIWYOY-BBRMVZONSA-N 2 2 326.448 1.897 20 0 EDADLP Cc1nc(N)nc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000631177852 451626718 /nfs/dbraw/zinc/62/67/18/451626718.db2.gz ATECFDXTLIWYOY-BBRMVZONSA-N 2 2 326.448 1.897 20 0 EDADLP Cc1nc(N)nc(NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000631177852 451626725 /nfs/dbraw/zinc/62/67/25/451626725.db2.gz ATECFDXTLIWYOY-BBRMVZONSA-N 2 2 326.448 1.897 20 0 EDADLP COc1cc(F)cc(OC)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000631180362 451628218 /nfs/dbraw/zinc/62/82/18/451628218.db2.gz QLCFDLVRUNIFCK-UHFFFAOYSA-N 2 2 339.455 1.912 20 0 EDADLP COc1cc(F)cc(OC)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000631180362 451628222 /nfs/dbraw/zinc/62/82/22/451628222.db2.gz QLCFDLVRUNIFCK-UHFFFAOYSA-N 2 2 339.455 1.912 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)nc(C(C)C)[nH+]1 ZINC000636260232 451631124 /nfs/dbraw/zinc/63/11/24/451631124.db2.gz OCCQIAGCJWLKBL-MRXNPFEDSA-N 2 2 345.491 2.453 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CC[N@H+]2C2CCCC2)nc(C(C)C)[nH+]1 ZINC000636260232 451631129 /nfs/dbraw/zinc/63/11/29/451631129.db2.gz OCCQIAGCJWLKBL-MRXNPFEDSA-N 2 2 345.491 2.453 20 0 EDADLP [NH3+][C@@H](c1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1)[C@@H]1CCCO1 ZINC000640942144 451699730 /nfs/dbraw/zinc/69/97/30/451699730.db2.gz DMRSQBADSOYUAM-WMZOPIPTSA-N 2 2 338.415 1.750 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(c2nc(C)[nH+]c(N)n2)[C@@H](C)C1 ZINC000631265220 451670040 /nfs/dbraw/zinc/67/00/40/451670040.db2.gz XBMCMACEKJBWCK-ZDUSSCGKSA-N 2 2 342.447 1.872 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(c2nc(C)[nH+]c(N)n2)[C@@H](C)C1 ZINC000631265220 451670044 /nfs/dbraw/zinc/67/00/44/451670044.db2.gz XBMCMACEKJBWCK-ZDUSSCGKSA-N 2 2 342.447 1.872 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000637138004 451737988 /nfs/dbraw/zinc/73/79/88/451737988.db2.gz FUJNXFJQMMIDHC-USXIJHARSA-N 2 2 334.464 1.308 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000637138004 451737991 /nfs/dbraw/zinc/73/79/91/451737991.db2.gz FUJNXFJQMMIDHC-USXIJHARSA-N 2 2 334.464 1.308 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000637138008 451738070 /nfs/dbraw/zinc/73/80/70/451738070.db2.gz FUJNXFJQMMIDHC-XIRDDKMYSA-N 2 2 334.464 1.308 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000637138008 451738071 /nfs/dbraw/zinc/73/80/71/451738071.db2.gz FUJNXFJQMMIDHC-XIRDDKMYSA-N 2 2 334.464 1.308 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1csc(NC2CC2)n1 ZINC000638984446 451745817 /nfs/dbraw/zinc/74/58/17/451745817.db2.gz WRAFIRWDEQGLCT-UHFFFAOYSA-N 2 2 344.444 1.774 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc2c1OCO2 ZINC000638988205 451748248 /nfs/dbraw/zinc/74/82/48/451748248.db2.gz USYFHKYVPLWSOL-UHFFFAOYSA-N 2 2 326.356 1.472 20 0 EDADLP CN(C)c1ccc(Cn2cc(C[C@H]([NH3+])Cc3ccccc3)nn2)c[nH+]1 ZINC000641178429 451770685 /nfs/dbraw/zinc/77/06/85/451770685.db2.gz WBIMRBPYKDKIRE-QGZVFWFLSA-N 2 2 336.443 1.900 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(Cc3ccc(OCC[NH+]4CCOCC4)cc3)[C@@H]2C1 ZINC000639200626 451790400 /nfs/dbraw/zinc/79/04/00/451790400.db2.gz LLBVSGLRLSZZRR-UYAOXDASSA-N 2 2 345.487 1.534 20 0 EDADLP C[N@H+]1C[C@H]2CCN(Cc3ccc(OCC[NH+]4CCOCC4)cc3)[C@@H]2C1 ZINC000639200626 451790401 /nfs/dbraw/zinc/79/04/01/451790401.db2.gz LLBVSGLRLSZZRR-UYAOXDASSA-N 2 2 345.487 1.534 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000639255140 451799445 /nfs/dbraw/zinc/79/94/45/451799445.db2.gz BQVJWWQCPMVTHR-UKRRQHHQSA-N 2 2 325.478 1.557 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000639255140 451799447 /nfs/dbraw/zinc/79/94/47/451799447.db2.gz BQVJWWQCPMVTHR-UKRRQHHQSA-N 2 2 325.478 1.557 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000639326958 451828415 /nfs/dbraw/zinc/82/84/15/451828415.db2.gz JVHXRLODILLVMF-ZWKOTPCHSA-N 2 2 330.476 1.061 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000639326958 451828419 /nfs/dbraw/zinc/82/84/19/451828419.db2.gz JVHXRLODILLVMF-ZWKOTPCHSA-N 2 2 330.476 1.061 20 0 EDADLP C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H]1C[NH3+] ZINC000646772712 451830806 /nfs/dbraw/zinc/83/08/06/451830806.db2.gz VRPZXBQPRWPYDH-GOEBONIOSA-N 2 2 333.480 1.218 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000637444841 451860615 /nfs/dbraw/zinc/86/06/15/451860615.db2.gz HKNOKLZOJSCZSU-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000637444841 451860617 /nfs/dbraw/zinc/86/06/17/451860617.db2.gz HKNOKLZOJSCZSU-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP Cc1ccc(O[C@H](C)C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000644577599 451871001 /nfs/dbraw/zinc/87/10/01/451871001.db2.gz ZZWQFRMBXKDDSZ-OWSLCNJRSA-N 2 2 336.476 1.822 20 0 EDADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(S(=O)(=O)c1cccc3c1CC[NH+](C)C3)CC2 ZINC000641363904 451896890 /nfs/dbraw/zinc/89/68/90/451896890.db2.gz ORSVLKCIMKGEDA-CVEARBPZSA-N 2 2 349.500 1.532 20 0 EDADLP C[N@H+]1[C@@H]2CC[C@H]1CN(S(=O)(=O)c1cccc3c1CC[NH+](C)C3)CC2 ZINC000641363904 451896893 /nfs/dbraw/zinc/89/68/93/451896893.db2.gz ORSVLKCIMKGEDA-CVEARBPZSA-N 2 2 349.500 1.532 20 0 EDADLP C[NH+]1[C@@H]2CC[C@H]1CN(S(=O)(=O)c1cccc3c1CC[N@H+](C)C3)CC2 ZINC000641363904 451896898 /nfs/dbraw/zinc/89/68/98/451896898.db2.gz ORSVLKCIMKGEDA-CVEARBPZSA-N 2 2 349.500 1.532 20 0 EDADLP C[NH+]1[C@@H]2CC[C@H]1CN(S(=O)(=O)c1cccc3c1CC[N@@H+](C)C3)CC2 ZINC000641363904 451896902 /nfs/dbraw/zinc/89/69/02/451896902.db2.gz ORSVLKCIMKGEDA-CVEARBPZSA-N 2 2 349.500 1.532 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000641366646 451900652 /nfs/dbraw/zinc/90/06/52/451900652.db2.gz CTFUVNNUROESAO-UHFFFAOYSA-N 2 2 340.493 1.600 20 0 EDADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cccn1 ZINC000644635694 451908032 /nfs/dbraw/zinc/90/80/32/451908032.db2.gz PYKKJQLJUWZJAU-RDJZCZTQSA-N 2 2 333.480 1.461 20 0 EDADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cccn1 ZINC000644635694 451908038 /nfs/dbraw/zinc/90/80/38/451908038.db2.gz PYKKJQLJUWZJAU-RDJZCZTQSA-N 2 2 333.480 1.461 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000649285570 451958752 /nfs/dbraw/zinc/95/87/52/451958752.db2.gz DJZXSLPPOQXYCZ-OAHLLOKOSA-N 2 2 344.459 1.545 20 0 EDADLP [NH3+]C[C@@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc(F)cc1 ZINC000649306149 451982774 /nfs/dbraw/zinc/98/27/74/451982774.db2.gz CPNZFXGCXBRVQF-GOSISDBHSA-N 2 2 327.403 2.000 20 0 EDADLP CN1CC[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000649308942 451986934 /nfs/dbraw/zinc/98/69/34/451986934.db2.gz JCWGREDGNGPANE-PBHICJAKSA-N 2 2 336.505 1.109 20 0 EDADLP CN1CC[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000649308942 451986939 /nfs/dbraw/zinc/98/69/39/451986939.db2.gz JCWGREDGNGPANE-PBHICJAKSA-N 2 2 336.505 1.109 20 0 EDADLP C[NH+](CCC[N@@H+](C)C[C@@H](O)CC1(O)CCOCC1)Cc1ccco1 ZINC000639643909 451995376 /nfs/dbraw/zinc/99/53/76/451995376.db2.gz JFTZCHYYGJKPSI-INIZCTEOSA-N 2 2 340.464 1.326 20 0 EDADLP C[NH+](CCC[N@H+](C)C[C@@H](O)CC1(O)CCOCC1)Cc1ccco1 ZINC000639643909 451995378 /nfs/dbraw/zinc/99/53/78/451995378.db2.gz JFTZCHYYGJKPSI-INIZCTEOSA-N 2 2 340.464 1.326 20 0 EDADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639643909 451995382 /nfs/dbraw/zinc/99/53/82/451995382.db2.gz JFTZCHYYGJKPSI-INIZCTEOSA-N 2 2 340.464 1.326 20 0 EDADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H](O)CC1(O)CCOCC1 ZINC000639643909 451995386 /nfs/dbraw/zinc/99/53/86/451995386.db2.gz JFTZCHYYGJKPSI-INIZCTEOSA-N 2 2 340.464 1.326 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000649335792 452016828 /nfs/dbraw/zinc/01/68/28/452016828.db2.gz YYDJWPJHWKVXNA-SJORKVTESA-N 2 2 345.491 1.241 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000653606638 452038054 /nfs/dbraw/zinc/03/80/54/452038054.db2.gz VYUHORIHTRDYPV-HNAYVOBHSA-N 3 2 346.475 1.770 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000653606638 452038058 /nfs/dbraw/zinc/03/80/58/452038058.db2.gz VYUHORIHTRDYPV-HNAYVOBHSA-N 3 2 346.475 1.770 20 0 EDADLP [NH3+][C@H]1CCC[C@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000647074089 452044149 /nfs/dbraw/zinc/04/41/49/452044149.db2.gz UPHBIOUGWFGENQ-RDJZCZTQSA-N 2 2 331.460 1.766 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000649416166 452077401 /nfs/dbraw/zinc/07/74/01/452077401.db2.gz UUWDWGFWJAZTLD-INIZCTEOSA-N 2 2 330.476 1.442 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000649415251 452078735 /nfs/dbraw/zinc/07/87/35/452078735.db2.gz RNAQYOKDXPMWLU-XHSDSOJGSA-N 2 2 331.464 1.298 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000649415251 452078737 /nfs/dbraw/zinc/07/87/37/452078737.db2.gz RNAQYOKDXPMWLU-XHSDSOJGSA-N 2 2 331.464 1.298 20 0 EDADLP CC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1[NH3+] ZINC000649416865 452079573 /nfs/dbraw/zinc/07/95/73/452079573.db2.gz OEBDWBZOHFEYEV-SJORKVTESA-N 3 2 345.491 1.180 20 0 EDADLP CC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1[NH3+] ZINC000649416865 452079581 /nfs/dbraw/zinc/07/95/81/452079581.db2.gz OEBDWBZOHFEYEV-SJORKVTESA-N 3 2 345.491 1.180 20 0 EDADLP O=C(CN1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000649419491 452082214 /nfs/dbraw/zinc/08/22/14/452082214.db2.gz RZQDISXTBBUAEL-NVXWUHKLSA-N 2 2 348.516 1.076 20 0 EDADLP CN(C(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1nccs1 ZINC000649420605 452083138 /nfs/dbraw/zinc/08/31/38/452083138.db2.gz GXKBDWYZNLFRKR-ZIAGYGMSSA-N 2 2 338.477 1.324 20 0 EDADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762471 452102097 /nfs/dbraw/zinc/10/20/97/452102097.db2.gz MHRJMHUIKPWPDO-QUCCMNQESA-N 2 2 347.503 1.985 20 0 EDADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762471 452102105 /nfs/dbraw/zinc/10/21/05/452102105.db2.gz MHRJMHUIKPWPDO-QUCCMNQESA-N 2 2 347.503 1.985 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000653779343 452110073 /nfs/dbraw/zinc/11/00/73/452110073.db2.gz XAFMDCAGWJARFO-BPUTZDHNSA-N 2 2 336.480 1.760 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000653779343 452110080 /nfs/dbraw/zinc/11/00/80/452110080.db2.gz XAFMDCAGWJARFO-BPUTZDHNSA-N 2 2 336.480 1.760 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000649546849 452138424 /nfs/dbraw/zinc/13/84/24/452138424.db2.gz BVNMPDBNOWZQHC-RISCZKNCSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000649546849 452138433 /nfs/dbraw/zinc/13/84/33/452138433.db2.gz BVNMPDBNOWZQHC-RISCZKNCSA-N 2 2 345.896 1.902 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000653847455 452146382 /nfs/dbraw/zinc/14/63/82/452146382.db2.gz YSNRRYUTFLWIAL-GOSISDBHSA-N 2 2 330.432 1.749 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645107536 452155259 /nfs/dbraw/zinc/15/52/59/452155259.db2.gz RNTLJJQAXWACIA-UONOGXRCSA-N 2 2 326.404 1.267 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645112559 452158072 /nfs/dbraw/zinc/15/80/72/452158072.db2.gz NKXCYOCGHDVASL-GJZGRUSLSA-N 2 2 329.435 1.954 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645177592 452194556 /nfs/dbraw/zinc/19/45/56/452194556.db2.gz IMOZUGBHTINMBM-UHFFFAOYSA-N 2 2 347.463 1.453 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645177592 452194559 /nfs/dbraw/zinc/19/45/59/452194559.db2.gz IMOZUGBHTINMBM-UHFFFAOYSA-N 2 2 347.463 1.453 20 0 EDADLP Cn1c2ccccc2[nH+]c1N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641719007 452217299 /nfs/dbraw/zinc/21/72/99/452217299.db2.gz ITCAURQFTBNJEW-MRXNPFEDSA-N 2 2 343.475 1.782 20 0 EDADLP Cn1c2ccccc2[nH+]c1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641719007 452217302 /nfs/dbraw/zinc/21/73/02/452217302.db2.gz ITCAURQFTBNJEW-MRXNPFEDSA-N 2 2 343.475 1.782 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCSCC1 ZINC000654055406 452223428 /nfs/dbraw/zinc/22/34/28/452223428.db2.gz CMFQCLIXBIYLGU-BYNSBNAKSA-N 2 2 329.510 1.038 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCSCC1 ZINC000654055406 452223432 /nfs/dbraw/zinc/22/34/32/452223432.db2.gz CMFQCLIXBIYLGU-BYNSBNAKSA-N 2 2 329.510 1.038 20 0 EDADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000645235811 452228674 /nfs/dbraw/zinc/22/86/74/452228674.db2.gz GKIFDRTWPOXWNN-CQSZACIVSA-N 2 2 327.350 1.712 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCO1 ZINC000647507818 452244715 /nfs/dbraw/zinc/24/47/15/452244715.db2.gz YJDZEOWFIFKXTE-ZWNOBZJWSA-N 2 2 339.237 1.645 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC3CC[NH+](CC4CC4)CC3)nc[nH+]2)C1 ZINC000665693130 452247609 /nfs/dbraw/zinc/24/76/09/452247609.db2.gz WFAVNYHIXVYIGH-HOCLYGCPSA-N 2 2 345.491 1.970 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC3CC[NH+](CC4CC4)CC3)[nH+]cn2)C1 ZINC000665693130 452247619 /nfs/dbraw/zinc/24/76/19/452247619.db2.gz WFAVNYHIXVYIGH-HOCLYGCPSA-N 2 2 345.491 1.970 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000655459441 452252201 /nfs/dbraw/zinc/25/22/01/452252201.db2.gz HRDACJOCFHEKLQ-ZBFHGGJFSA-N 2 2 328.391 1.758 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000641784318 452254344 /nfs/dbraw/zinc/25/43/44/452254344.db2.gz BSQMCGLRGMXHHA-SJORKVTESA-N 2 2 327.538 1.658 20 0 EDADLP CC1(C)C[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C(C)(C)O1 ZINC000641785757 452256274 /nfs/dbraw/zinc/25/62/74/452256274.db2.gz DIOKLXSEJZWJCM-IRXDYDNUSA-N 2 2 339.524 1.719 20 0 EDADLP COc1ccc(C[C@@H]2CCCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000649793077 452260477 /nfs/dbraw/zinc/26/04/77/452260477.db2.gz WNCKVNKVYIUFGP-SFHVURJKSA-N 2 2 345.487 1.866 20 0 EDADLP COc1ccc(C[C@@H]2CCCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000649793077 452260486 /nfs/dbraw/zinc/26/04/86/452260486.db2.gz WNCKVNKVYIUFGP-SFHVURJKSA-N 2 2 345.487 1.866 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787223 452261058 /nfs/dbraw/zinc/26/10/58/452261058.db2.gz RTLLCUUPFSTGAA-QGZVFWFLSA-N 2 2 347.507 1.184 20 0 EDADLP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657464754 452266387 /nfs/dbraw/zinc/26/63/87/452266387.db2.gz VJDPVXYZMQTUEV-AWEZNQCLSA-N 2 2 348.472 1.676 20 0 EDADLP c1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c2c([nH+]1)NCCO2 ZINC000665707816 452269586 /nfs/dbraw/zinc/26/95/86/452269586.db2.gz CKHMNYNSLFRZJY-AWEZNQCLSA-N 2 2 333.436 1.362 20 0 EDADLP c1nc2c(c(N3CC[C@H](OCC[NH+]4CCCCC4)C3)[nH+]1)OCCN2 ZINC000665707816 452269594 /nfs/dbraw/zinc/26/95/94/452269594.db2.gz CKHMNYNSLFRZJY-AWEZNQCLSA-N 2 2 333.436 1.362 20 0 EDADLP [NH3+]C1(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCCC1 ZINC000659429352 452270903 /nfs/dbraw/zinc/27/09/03/452270903.db2.gz RDAXRVYPYKIZJD-QGZVFWFLSA-N 2 2 346.475 1.631 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)CC2)c1 ZINC000641802372 452277949 /nfs/dbraw/zinc/27/79/49/452277949.db2.gz JQYDCYILCPTMBA-MSOLQXFVSA-N 3 2 344.503 1.355 20 0 EDADLP CNC(=O)[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Cc1ccc(F)cc1C ZINC000657497000 452278547 /nfs/dbraw/zinc/27/85/47/452278547.db2.gz NQCAZBQCCCODBU-OAHLLOKOSA-N 2 2 344.434 1.971 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000659443416 452291820 /nfs/dbraw/zinc/29/18/20/452291820.db2.gz RNLUZTSLFIZXTI-UHFFFAOYSA-N 2 2 329.379 1.644 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000643537284 452300120 /nfs/dbraw/zinc/30/01/20/452300120.db2.gz CVBPGHIOCCJGBX-UBHSHLNASA-N 2 2 329.441 1.288 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661513094 452320260 /nfs/dbraw/zinc/32/02/60/452320260.db2.gz MDOINYOWRJNEBQ-BZUAXINKSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661513094 452320271 /nfs/dbraw/zinc/32/02/71/452320271.db2.gz MDOINYOWRJNEBQ-BZUAXINKSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000638051493 452323958 /nfs/dbraw/zinc/32/39/58/452323958.db2.gz JDLCGKAJMNMKFO-KSSFIOAISA-N 2 2 330.432 1.618 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000643603390 452328450 /nfs/dbraw/zinc/32/84/50/452328450.db2.gz LHCMGYUGGDPJIG-IAGOWNOFSA-N 2 2 335.423 1.285 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000643603390 452328459 /nfs/dbraw/zinc/32/84/59/452328459.db2.gz LHCMGYUGGDPJIG-IAGOWNOFSA-N 2 2 335.423 1.285 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H](C)CCO)CC2)cc1 ZINC000649869976 452331336 /nfs/dbraw/zinc/33/13/36/452331336.db2.gz RBBFIVWQLZQBRZ-INIZCTEOSA-N 2 2 349.475 1.042 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H](C)CCO)CC2)cc1 ZINC000649869976 452331347 /nfs/dbraw/zinc/33/13/47/452331347.db2.gz RBBFIVWQLZQBRZ-INIZCTEOSA-N 2 2 349.475 1.042 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638059575 452349323 /nfs/dbraw/zinc/34/93/23/452349323.db2.gz NISKFPACBWGZHT-IBGZPJMESA-N 2 2 346.519 1.777 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000638065855 452366333 /nfs/dbraw/zinc/36/63/33/452366333.db2.gz BWNPXLAGILRDEU-IYBDPMFKSA-N 2 2 346.475 1.140 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000638065855 452366348 /nfs/dbraw/zinc/36/63/48/452366348.db2.gz BWNPXLAGILRDEU-IYBDPMFKSA-N 2 2 346.475 1.140 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000638066621 452371527 /nfs/dbraw/zinc/37/15/27/452371527.db2.gz IVUJSVJJZHPJTO-QZTJIDSGSA-N 2 2 333.476 1.940 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000649900269 452376935 /nfs/dbraw/zinc/37/69/35/452376935.db2.gz WYUYLZQMXOMLCE-GDBMZVCRSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000649900269 452376945 /nfs/dbraw/zinc/37/69/45/452376945.db2.gz WYUYLZQMXOMLCE-GDBMZVCRSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000649900269 452376950 /nfs/dbraw/zinc/37/69/50/452376950.db2.gz WYUYLZQMXOMLCE-GDBMZVCRSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000649900269 452376959 /nfs/dbraw/zinc/37/69/59/452376959.db2.gz WYUYLZQMXOMLCE-GDBMZVCRSA-N 2 2 345.434 1.191 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000638073311 452382938 /nfs/dbraw/zinc/38/29/38/452382938.db2.gz UQWQMHHINHJSIX-INIZCTEOSA-N 2 2 328.416 1.578 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000638077484 452389534 /nfs/dbraw/zinc/38/95/34/452389534.db2.gz SJPQURIGDLZFMK-QZTJIDSGSA-N 2 2 329.444 1.532 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3C[C@@H](C)C(O)[C@H](C)C3)c2cc1C ZINC000661633675 452452461 /nfs/dbraw/zinc/45/24/61/452452461.db2.gz YYFQCTDUOVHLMO-BZUAXINKSA-N 2 2 331.460 1.963 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661660818 452471816 /nfs/dbraw/zinc/47/18/16/452471816.db2.gz SSRAIPZZAUEAHC-DOTOQJQBSA-N 2 2 340.439 1.910 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661660818 452471824 /nfs/dbraw/zinc/47/18/24/452471824.db2.gz SSRAIPZZAUEAHC-DOTOQJQBSA-N 2 2 340.439 1.910 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661660818 452471833 /nfs/dbraw/zinc/47/18/33/452471833.db2.gz SSRAIPZZAUEAHC-DOTOQJQBSA-N 2 2 340.439 1.910 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661660818 452471838 /nfs/dbraw/zinc/47/18/38/452471838.db2.gz SSRAIPZZAUEAHC-DOTOQJQBSA-N 2 2 340.439 1.910 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@H+]3C[C@H](C)OC[C@@H]3C)cn2c1 ZINC000663762235 452490188 /nfs/dbraw/zinc/49/01/88/452490188.db2.gz HHQQLNKKPSUEPC-GJZGRUSLSA-N 2 2 345.447 1.551 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@@H+]3C[C@H](C)OC[C@@H]3C)cn2c1 ZINC000663762235 452490193 /nfs/dbraw/zinc/49/01/93/452490193.db2.gz HHQQLNKKPSUEPC-GJZGRUSLSA-N 2 2 345.447 1.551 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCn4ccnc43)cn2)CC1 ZINC000655686845 452511329 /nfs/dbraw/zinc/51/13/29/452511329.db2.gz QTAPGFBTNYLFLU-MRXNPFEDSA-N 2 2 326.448 1.655 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661709051 452512538 /nfs/dbraw/zinc/51/25/38/452512538.db2.gz ZGJPAOVLSGSIHZ-MDZRGWNJSA-N 2 2 344.459 1.087 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661709051 452512551 /nfs/dbraw/zinc/51/25/51/452512551.db2.gz ZGJPAOVLSGSIHZ-MDZRGWNJSA-N 2 2 344.459 1.087 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000663791431 452522454 /nfs/dbraw/zinc/52/24/54/452522454.db2.gz JWAXDUFDCYOORE-LTIDMASMSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000663791431 452522463 /nfs/dbraw/zinc/52/24/63/452522463.db2.gz JWAXDUFDCYOORE-LTIDMASMSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000663791431 452522473 /nfs/dbraw/zinc/52/24/73/452522473.db2.gz JWAXDUFDCYOORE-LTIDMASMSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000663791431 452522478 /nfs/dbraw/zinc/52/24/78/452522478.db2.gz JWAXDUFDCYOORE-LTIDMASMSA-N 2 2 340.512 1.515 20 0 EDADLP O=C(C[NH2+][C@H]1CCCn2nccc21)N1CC[NH+](Cc2ccco2)CC1 ZINC000640220265 452526521 /nfs/dbraw/zinc/52/65/21/452526521.db2.gz LCCCBMFLRPZHGM-INIZCTEOSA-N 2 2 343.431 1.245 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000652358121 452536778 /nfs/dbraw/zinc/53/67/78/452536778.db2.gz DIRNAPNQNPNWPR-YWPYICTPSA-N 2 2 325.840 1.963 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000652358121 452536787 /nfs/dbraw/zinc/53/67/87/452536787.db2.gz DIRNAPNQNPNWPR-YWPYICTPSA-N 2 2 325.840 1.963 20 0 EDADLP c1cc2cc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)ccc2[nH]1 ZINC000655736765 452548990 /nfs/dbraw/zinc/54/89/90/452548990.db2.gz RYFHPZIWVXZDTQ-SFHVURJKSA-N 2 2 328.460 1.664 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)C(C)(C)O)C2)CC1 ZINC000652370695 452558801 /nfs/dbraw/zinc/55/88/01/452558801.db2.gz KLMBVBUBIWDIAJ-AWEZNQCLSA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)C(C)(C)O)C2)CC1 ZINC000652370695 452558811 /nfs/dbraw/zinc/55/88/11/452558811.db2.gz KLMBVBUBIWDIAJ-AWEZNQCLSA-N 2 2 340.512 1.251 20 0 EDADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000655760399 452562660 /nfs/dbraw/zinc/56/26/60/452562660.db2.gz PISQTINGVJOMLS-QGZVFWFLSA-N 2 2 334.851 1.990 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000647834716 452567410 /nfs/dbraw/zinc/56/74/10/452567410.db2.gz GFXFNQRVLQCSNY-UHFFFAOYSA-N 2 2 344.381 1.481 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000647834716 452567415 /nfs/dbraw/zinc/56/74/15/452567415.db2.gz GFXFNQRVLQCSNY-UHFFFAOYSA-N 2 2 344.381 1.481 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000652411676 452603224 /nfs/dbraw/zinc/60/32/24/452603224.db2.gz CWCHLLPIHSRAJK-HNNXBMFYSA-N 2 2 347.463 1.060 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)n1CC(F)(F)F ZINC000647872772 452611754 /nfs/dbraw/zinc/61/17/54/452611754.db2.gz QWXDZPAHNIWCQZ-GFCCVEGCSA-N 2 2 332.370 1.382 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)n1CC(F)(F)F ZINC000647872772 452611765 /nfs/dbraw/zinc/61/17/65/452611765.db2.gz QWXDZPAHNIWCQZ-GFCCVEGCSA-N 2 2 332.370 1.382 20 0 EDADLP COc1ccc(CCC(=O)N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647882098 452620403 /nfs/dbraw/zinc/62/04/03/452620403.db2.gz JLUUVJLXWATNKM-QGZVFWFLSA-N 2 2 331.460 1.382 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901647 452643384 /nfs/dbraw/zinc/64/33/84/452643384.db2.gz SGKUMDXOAFHEPK-MOPGFXCFSA-N 2 2 345.487 1.913 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901647 452643389 /nfs/dbraw/zinc/64/33/89/452643389.db2.gz SGKUMDXOAFHEPK-MOPGFXCFSA-N 2 2 345.487 1.913 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926961 452663684 /nfs/dbraw/zinc/66/36/84/452663684.db2.gz UDPBNCPBIFZWPP-UHFFFAOYSA-N 2 2 332.448 1.117 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000663982704 452687623 /nfs/dbraw/zinc/68/76/23/452687623.db2.gz KUWJNLIJKGURLD-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000663982704 452687628 /nfs/dbraw/zinc/68/76/28/452687628.db2.gz KUWJNLIJKGURLD-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647956597 452700133 /nfs/dbraw/zinc/70/01/33/452700133.db2.gz PGRCBPOXUOWRPO-AOIWGVFYSA-N 2 2 337.508 1.773 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647956597 452700151 /nfs/dbraw/zinc/70/01/51/452700151.db2.gz PGRCBPOXUOWRPO-AOIWGVFYSA-N 2 2 337.508 1.773 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000659818577 452707033 /nfs/dbraw/zinc/70/70/33/452707033.db2.gz ZRJUQQCHFASVRA-QZTJIDSGSA-N 2 2 336.524 1.204 20 0 EDADLP CCCCCNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659839935 452726865 /nfs/dbraw/zinc/72/68/65/452726865.db2.gz VHEOYWJGOUJOER-KRWDZBQOSA-N 2 2 327.513 1.706 20 0 EDADLP CCCCCNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659839935 452726870 /nfs/dbraw/zinc/72/68/70/452726870.db2.gz VHEOYWJGOUJOER-KRWDZBQOSA-N 2 2 327.513 1.706 20 0 EDADLP C[NH+](C)C1(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000666281983 452742480 /nfs/dbraw/zinc/74/24/80/452742480.db2.gz AOTKRAHBWQXSBA-UHFFFAOYSA-N 2 2 344.503 1.405 20 0 EDADLP C[NH+](C)C1(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000666281983 452742493 /nfs/dbraw/zinc/74/24/93/452742493.db2.gz AOTKRAHBWQXSBA-UHFFFAOYSA-N 2 2 344.503 1.405 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000658139081 452746993 /nfs/dbraw/zinc/74/69/93/452746993.db2.gz KRYDLRYQTXCSSY-UIAACRFSSA-N 3 2 329.488 1.826 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139081 452746999 /nfs/dbraw/zinc/74/69/99/452746999.db2.gz KRYDLRYQTXCSSY-UIAACRFSSA-N 3 2 329.488 1.826 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139081 452747005 /nfs/dbraw/zinc/74/70/05/452747005.db2.gz KRYDLRYQTXCSSY-UIAACRFSSA-N 3 2 329.488 1.826 20 0 EDADLP Cc1cc(C(F)(F)F)cc(N2CCN(CC[NH+](C)C)C(=O)C2)[nH+]1 ZINC000664061503 452754154 /nfs/dbraw/zinc/75/41/54/452754154.db2.gz SHBTUDRABBZIRF-UHFFFAOYSA-N 2 2 330.354 1.619 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC1 ZINC000662016080 452771930 /nfs/dbraw/zinc/77/19/30/452771930.db2.gz FOZMGRKRHYUTSO-IEBWSBKVSA-N 2 2 344.503 1.750 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC1 ZINC000662016080 452771933 /nfs/dbraw/zinc/77/19/33/452771933.db2.gz FOZMGRKRHYUTSO-IEBWSBKVSA-N 2 2 344.503 1.750 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662037245 452791575 /nfs/dbraw/zinc/79/15/75/452791575.db2.gz VMKZCUUUYQIRGU-SJORKVTESA-N 2 2 349.500 1.361 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662037245 452791583 /nfs/dbraw/zinc/79/15/83/452791583.db2.gz VMKZCUUUYQIRGU-SJORKVTESA-N 2 2 349.500 1.361 20 0 EDADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000648064673 452792635 /nfs/dbraw/zinc/79/26/35/452792635.db2.gz HZNSUTFMORIIDS-INIZCTEOSA-N 2 2 341.459 1.483 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000658255448 452810947 /nfs/dbraw/zinc/81/09/47/452810947.db2.gz UQGQGWKYGHVEJB-HKUYNNGSSA-N 2 2 328.504 1.881 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000658255448 452810952 /nfs/dbraw/zinc/81/09/52/452810952.db2.gz UQGQGWKYGHVEJB-HKUYNNGSSA-N 2 2 328.504 1.881 20 0 EDADLP COCc1ccnc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000650512118 452811786 /nfs/dbraw/zinc/81/17/86/452811786.db2.gz PDPJTEGMGYCWBL-UHFFFAOYSA-N 2 2 335.452 1.376 20 0 EDADLP CO[C@H](C)CCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118520 452834645 /nfs/dbraw/zinc/83/46/45/452834645.db2.gz CRHRBNOQLOQPPA-HUUCEWRRSA-N 2 2 334.464 1.706 20 0 EDADLP C[C@H](NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1[nH+]ccn1C ZINC000662101447 452842277 /nfs/dbraw/zinc/84/22/77/452842277.db2.gz RZQGZZVPYSTVFU-HNNXBMFYSA-N 2 2 349.479 1.768 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CCN1C ZINC000648167410 452878053 /nfs/dbraw/zinc/87/80/53/452878053.db2.gz LZINPQBVUXTPML-HUUCEWRRSA-N 2 2 347.850 1.589 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC[N@H+]1C ZINC000664215689 452889501 /nfs/dbraw/zinc/88/95/01/452889501.db2.gz CNKMVUAZSGGYAQ-RDJZCZTQSA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664223530 452900404 /nfs/dbraw/zinc/90/04/04/452900404.db2.gz KOVJMHLQUKZHGQ-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664223530 452900413 /nfs/dbraw/zinc/90/04/13/452900413.db2.gz KOVJMHLQUKZHGQ-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3OCc4ccccc43)C2)CC1 ZINC000654775743 452907353 /nfs/dbraw/zinc/90/73/53/452907353.db2.gz SJCMQTXQPXHSGR-QFBILLFUSA-N 2 2 343.471 1.933 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3OCc4ccccc43)C2)CC1 ZINC000654775743 452907363 /nfs/dbraw/zinc/90/73/63/452907363.db2.gz SJCMQTXQPXHSGR-QFBILLFUSA-N 2 2 343.471 1.933 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H](C[NH+](C)C)C3)cn21 ZINC000645931400 452908544 /nfs/dbraw/zinc/90/85/44/452908544.db2.gz PNZDBPIIMXLFJP-HNNXBMFYSA-N 2 2 329.448 1.778 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C(F)F)nc3)C2)CC1 ZINC000654775533 452908674 /nfs/dbraw/zinc/90/86/74/452908674.db2.gz OPRKTMNDLOSADA-ZDUSSCGKSA-N 2 2 338.402 1.918 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C(F)F)nc3)C2)CC1 ZINC000654775533 452908679 /nfs/dbraw/zinc/90/86/79/452908679.db2.gz OPRKTMNDLOSADA-ZDUSSCGKSA-N 2 2 338.402 1.918 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)CC2)c1 ZINC000660013720 452923142 /nfs/dbraw/zinc/92/31/42/452923142.db2.gz JFAMEEDRJLVPFE-YESZJQIVSA-N 2 2 328.460 1.959 20 0 EDADLP CC[N@H+](CCOc1ccccc1OC)CC(=O)N1CC[NH+](C)CC1 ZINC000662208978 452938099 /nfs/dbraw/zinc/93/80/99/452938099.db2.gz OBZHFPRIZDVFCY-UHFFFAOYSA-N 2 2 335.448 1.170 20 0 EDADLP CC[N@@H+](CCOc1ccccc1OC)CC(=O)N1CC[NH+](C)CC1 ZINC000662208978 452938103 /nfs/dbraw/zinc/93/81/03/452938103.db2.gz OBZHFPRIZDVFCY-UHFFFAOYSA-N 2 2 335.448 1.170 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000656198967 452956170 /nfs/dbraw/zinc/95/61/70/452956170.db2.gz PEFHEHJOWZOOMU-ZNMIVQPWSA-N 2 2 335.452 1.205 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000654850531 452974259 /nfs/dbraw/zinc/97/42/59/452974259.db2.gz ZTPSHVBVUBUEFG-VXGBXAGGSA-N 2 2 332.370 1.914 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000654850531 452974262 /nfs/dbraw/zinc/97/42/62/452974262.db2.gz ZTPSHVBVUBUEFG-VXGBXAGGSA-N 2 2 332.370 1.914 20 0 EDADLP CN1CC[NH+](CCCOc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000652814624 452975481 /nfs/dbraw/zinc/97/54/81/452975481.db2.gz DRXCDVDKLAUSMZ-UHFFFAOYSA-N 2 2 334.464 1.203 20 0 EDADLP CN1CC(=O)N(CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000660073198 452989004 /nfs/dbraw/zinc/98/90/04/452989004.db2.gz BKXFZOKNKROHNX-UHFFFAOYSA-N 2 2 344.459 1.477 20 0 EDADLP CN1CC(=O)N(CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000660073198 452989010 /nfs/dbraw/zinc/98/90/10/452989010.db2.gz BKXFZOKNKROHNX-UHFFFAOYSA-N 2 2 344.459 1.477 20 0 EDADLP O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662261023 452990003 /nfs/dbraw/zinc/99/00/03/452990003.db2.gz SSTFLAQZVAFXOY-GXTWGEPZSA-N 2 2 338.839 1.374 20 0 EDADLP O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662261023 452990011 /nfs/dbraw/zinc/99/00/11/452990011.db2.gz SSTFLAQZVAFXOY-GXTWGEPZSA-N 2 2 338.839 1.374 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000662266106 452996980 /nfs/dbraw/zinc/99/69/80/452996980.db2.gz FMMJMACDQMDJIT-HNNXBMFYSA-N 2 2 337.464 1.814 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000662266106 452996985 /nfs/dbraw/zinc/99/69/85/452996985.db2.gz FMMJMACDQMDJIT-HNNXBMFYSA-N 2 2 337.464 1.814 20 0 EDADLP FC(F)(F)Cn1nnc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292336 453014222 /nfs/dbraw/zinc/01/42/22/453014222.db2.gz DQLROVAFPOFYES-LBPRGKRZSA-N 2 2 332.374 1.447 20 0 EDADLP FC(F)(F)Cn1nnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292336 453014229 /nfs/dbraw/zinc/01/42/29/453014229.db2.gz DQLROVAFPOFYES-LBPRGKRZSA-N 2 2 332.374 1.447 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652883388 453041359 /nfs/dbraw/zinc/04/13/59/453041359.db2.gz NESWOALRFGNAFI-MSOLQXFVSA-N 2 2 331.460 1.092 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652883388 453041362 /nfs/dbraw/zinc/04/13/62/453041362.db2.gz NESWOALRFGNAFI-MSOLQXFVSA-N 2 2 331.460 1.092 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652883388 453041370 /nfs/dbraw/zinc/04/13/70/453041370.db2.gz NESWOALRFGNAFI-MSOLQXFVSA-N 2 2 331.460 1.092 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)C1 ZINC000652883388 453041378 /nfs/dbraw/zinc/04/13/78/453041378.db2.gz NESWOALRFGNAFI-MSOLQXFVSA-N 2 2 331.460 1.092 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947422 453059523 /nfs/dbraw/zinc/05/95/23/453059523.db2.gz SEBPXBSXURYGMW-JSGCOSHPSA-N 2 2 332.404 1.162 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654947422 453059531 /nfs/dbraw/zinc/05/95/31/453059531.db2.gz SEBPXBSXURYGMW-JSGCOSHPSA-N 2 2 332.404 1.162 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1[nH]cc[nH+]1 ZINC000660143031 453074584 /nfs/dbraw/zinc/07/45/84/453074584.db2.gz PXBDBJRASQTSDM-DOTOQJQBSA-N 2 2 341.459 1.621 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1[nH]cc[nH+]1 ZINC000660143031 453074595 /nfs/dbraw/zinc/07/45/95/453074595.db2.gz PXBDBJRASQTSDM-DOTOQJQBSA-N 2 2 341.459 1.621 20 0 EDADLP CC(=O)N1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC12CCCCC2 ZINC000660152390 453084855 /nfs/dbraw/zinc/08/48/55/453084855.db2.gz AQFREPGNMOQTRE-KRWDZBQOSA-N 2 2 325.497 1.555 20 0 EDADLP CC(=O)N1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC12CCCCC2 ZINC000660152390 453084863 /nfs/dbraw/zinc/08/48/63/453084863.db2.gz AQFREPGNMOQTRE-KRWDZBQOSA-N 2 2 325.497 1.555 20 0 EDADLP CC(=O)N1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC12CCCCC2 ZINC000660152390 453084870 /nfs/dbraw/zinc/08/48/70/453084870.db2.gz AQFREPGNMOQTRE-KRWDZBQOSA-N 2 2 325.497 1.555 20 0 EDADLP CC(=O)N1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC12CCCCC2 ZINC000660152390 453084878 /nfs/dbraw/zinc/08/48/78/453084878.db2.gz AQFREPGNMOQTRE-KRWDZBQOSA-N 2 2 325.497 1.555 20 0 EDADLP CC[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000648438556 453086490 /nfs/dbraw/zinc/08/64/90/453086490.db2.gz FUXSCYSZSXMLHH-IAGOWNOFSA-N 2 2 346.475 1.668 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCC[C@@H]3CCCC[C@@H]31)CCO2 ZINC000646102899 453103636 /nfs/dbraw/zinc/10/36/36/453103636.db2.gz WPRSIKWRUWNEEQ-ROUUACIJSA-N 2 2 349.519 1.964 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCC[C@@H]3CCCC[C@@H]31)CCO2 ZINC000646102899 453103640 /nfs/dbraw/zinc/10/36/40/453103640.db2.gz WPRSIKWRUWNEEQ-ROUUACIJSA-N 2 2 349.519 1.964 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102967 453104850 /nfs/dbraw/zinc/10/48/50/453104850.db2.gz YYDVBNDOFFKXSY-UHFFFAOYSA-N 2 2 345.487 1.832 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102967 453104858 /nfs/dbraw/zinc/10/48/58/453104858.db2.gz YYDVBNDOFFKXSY-UHFFFAOYSA-N 2 2 345.487 1.832 20 0 EDADLP Cn1cc(-c2nc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cs2)cn1 ZINC000646103584 453106110 /nfs/dbraw/zinc/10/61/10/453106110.db2.gz JYZXUNRNTSMPDM-UHFFFAOYSA-N 2 2 347.488 1.840 20 0 EDADLP Cn1cc(-c2nc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)cs2)cn1 ZINC000646103584 453106117 /nfs/dbraw/zinc/10/61/17/453106117.db2.gz JYZXUNRNTSMPDM-UHFFFAOYSA-N 2 2 347.488 1.840 20 0 EDADLP CCOc1ccc(NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104646 453107260 /nfs/dbraw/zinc/10/72/60/453107260.db2.gz JQFBXDRNCWRTLK-UHFFFAOYSA-N 2 2 347.459 1.820 20 0 EDADLP CCOc1ccc(NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104646 453107263 /nfs/dbraw/zinc/10/72/63/453107263.db2.gz JQFBXDRNCWRTLK-UHFFFAOYSA-N 2 2 347.459 1.820 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103631 453107348 /nfs/dbraw/zinc/10/73/48/453107348.db2.gz ZGGHBBGWBKFKBF-INIZCTEOSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103631 453107352 /nfs/dbraw/zinc/10/73/52/453107352.db2.gz ZGGHBBGWBKFKBF-INIZCTEOSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C(C)(C)C1 ZINC000652926170 453107500 /nfs/dbraw/zinc/10/75/00/453107500.db2.gz NZSSBWXYKQXTOZ-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP COCC[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)C(C)(C)C1 ZINC000652926170 453107505 /nfs/dbraw/zinc/10/75/05/453107505.db2.gz NZSSBWXYKQXTOZ-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000652927001 453108721 /nfs/dbraw/zinc/10/87/21/453108721.db2.gz VFBZNEPZKBVLCQ-UHFFFAOYSA-N 2 2 334.464 1.331 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C(C)(C)C1 ZINC000652927001 453108728 /nfs/dbraw/zinc/10/87/28/453108728.db2.gz VFBZNEPZKBVLCQ-UHFFFAOYSA-N 2 2 334.464 1.331 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@@H](C)CO1 ZINC000664520789 453160729 /nfs/dbraw/zinc/16/07/29/453160729.db2.gz POJBPHRQZOVNBZ-XHSDSOJGSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@@H](C)CO1 ZINC000664520789 453160736 /nfs/dbraw/zinc/16/07/36/453160736.db2.gz POJBPHRQZOVNBZ-XHSDSOJGSA-N 2 2 347.463 1.069 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664537060 453175391 /nfs/dbraw/zinc/17/53/91/453175391.db2.gz FPVYKASVHKXIQO-QGZVFWFLSA-N 3 2 339.528 1.138 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664537060 453175401 /nfs/dbraw/zinc/17/54/01/453175401.db2.gz FPVYKASVHKXIQO-QGZVFWFLSA-N 3 2 339.528 1.138 20 0 EDADLP Cn1ncc2c1nc(N[C@@H]1C[C@@H]([NH+]3CCOCC3)C13CCC3)[nH+]c2N ZINC000664538924 453178609 /nfs/dbraw/zinc/17/86/09/453178609.db2.gz JRVSLNDHESWNQF-CHWSQXEVSA-N 2 2 343.435 1.001 20 0 EDADLP CC[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000652991930 453180892 /nfs/dbraw/zinc/18/08/92/453180892.db2.gz WZPSYXBPDPCECH-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CC[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000652991930 453180901 /nfs/dbraw/zinc/18/09/01/453180901.db2.gz WZPSYXBPDPCECH-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000660304598 453196288 /nfs/dbraw/zinc/19/62/88/453196288.db2.gz GHTNIBKTYTXRBC-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000660304598 453196295 /nfs/dbraw/zinc/19/62/95/453196295.db2.gz GHTNIBKTYTXRBC-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP CN(Cc1cnn(CC(F)F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000646197109 453209952 /nfs/dbraw/zinc/20/99/52/453209952.db2.gz RYFAIPBTFDMPOS-INIZCTEOSA-N 2 2 341.450 1.749 20 0 EDADLP CN(Cc1cnn(CC(F)F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000646197109 453209960 /nfs/dbraw/zinc/20/99/60/453209960.db2.gz RYFAIPBTFDMPOS-INIZCTEOSA-N 2 2 341.450 1.749 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662506358 453223071 /nfs/dbraw/zinc/22/30/71/453223071.db2.gz JMDNNVFEVMYJHX-CYBMUJFWSA-N 2 2 328.441 1.798 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000653077613 453256342 /nfs/dbraw/zinc/25/63/42/453256342.db2.gz FLSALGZBQSFOCI-KRWDZBQOSA-N 2 2 346.475 1.459 20 0 EDADLP CC(C)Cn1nccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780250 453261314 /nfs/dbraw/zinc/26/13/14/453261314.db2.gz ZADIWGDQLJKUKZ-KRWDZBQOSA-N 2 2 347.507 1.780 20 0 EDADLP CC(C)Cn1nccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780250 453261319 /nfs/dbraw/zinc/26/13/19/453261319.db2.gz ZADIWGDQLJKUKZ-KRWDZBQOSA-N 2 2 347.507 1.780 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000662538104 453263132 /nfs/dbraw/zinc/26/31/32/453263132.db2.gz AQLTVWHHHRLVLF-MSOLQXFVSA-N 2 2 344.459 1.417 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N(C)CC3C[NH+](C)C3)c[nH+]2)CCO1 ZINC000660389564 453263877 /nfs/dbraw/zinc/26/38/77/453263877.db2.gz VOQJAQUFUVDGGW-AWEZNQCLSA-N 2 2 347.463 1.010 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000653084016 453264985 /nfs/dbraw/zinc/26/49/85/453264985.db2.gz ROVKFCOBCSMVAC-XBFCOCLRSA-N 2 2 329.366 1.957 20 0 EDADLP Cc1cc(Br)ccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089075 453272332 /nfs/dbraw/zinc/27/23/32/453272332.db2.gz WUVDQBUYGXARIF-ZDUSSCGKSA-N 2 2 328.254 1.653 20 0 EDADLP C[C@H]1C[C@H](CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664639947 453276264 /nfs/dbraw/zinc/27/62/64/453276264.db2.gz GPIOCIFSAGXDSP-JKSUJKDBSA-N 2 2 328.501 1.374 20 0 EDADLP C[C@H]1C[C@H](CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664639947 453276274 /nfs/dbraw/zinc/27/62/74/453276274.db2.gz GPIOCIFSAGXDSP-JKSUJKDBSA-N 2 2 328.501 1.374 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)CC2)[nH+]c1 ZINC000651104612 453276654 /nfs/dbraw/zinc/27/66/54/453276654.db2.gz RFIOYAWDSPKLLH-SJORKVTESA-N 2 2 328.460 1.769 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)CC2)[nH+]c1 ZINC000651104612 453276660 /nfs/dbraw/zinc/27/66/60/453276660.db2.gz RFIOYAWDSPKLLH-SJORKVTESA-N 2 2 328.460 1.769 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000655164935 453282388 /nfs/dbraw/zinc/28/23/88/453282388.db2.gz LNRRMTSUIVUYRX-MAUKXSAKSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000655164935 453282393 /nfs/dbraw/zinc/28/23/93/453282393.db2.gz LNRRMTSUIVUYRX-MAUKXSAKSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000655164935 453282398 /nfs/dbraw/zinc/28/23/98/453282398.db2.gz LNRRMTSUIVUYRX-MAUKXSAKSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000655164935 453282403 /nfs/dbraw/zinc/28/24/03/453282403.db2.gz LNRRMTSUIVUYRX-MAUKXSAKSA-N 2 2 326.444 1.974 20 0 EDADLP CC(C)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nc(-c2cccnc2)no1 ZINC000653115795 453303788 /nfs/dbraw/zinc/30/37/88/453303788.db2.gz ZXXWPGVNAXCRAY-KBPBESRZSA-N 2 2 346.435 1.224 20 0 EDADLP Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)n1 ZINC000653122481 453313359 /nfs/dbraw/zinc/31/33/59/453313359.db2.gz XPLUEVXGFJPRRH-MAUKXSAKSA-N 2 2 343.475 1.945 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000648864383 453338998 /nfs/dbraw/zinc/33/89/98/453338998.db2.gz FMTHEEWXJVUUDT-HOTGVXAUSA-N 2 2 335.496 1.539 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000648864383 453339005 /nfs/dbraw/zinc/33/90/05/453339005.db2.gz FMTHEEWXJVUUDT-HOTGVXAUSA-N 2 2 335.496 1.539 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)nn1 ZINC000667040388 453356731 /nfs/dbraw/zinc/35/67/31/453356731.db2.gz HEKSELJYCOFYEG-CYBMUJFWSA-N 2 2 332.477 1.909 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)nn1 ZINC000667040388 453356742 /nfs/dbraw/zinc/35/67/42/453356742.db2.gz HEKSELJYCOFYEG-CYBMUJFWSA-N 2 2 332.477 1.909 20 0 EDADLP CC(C)(CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000664743631 453367693 /nfs/dbraw/zinc/36/76/93/453367693.db2.gz CHCQOYOJQQITMN-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000662662627 453376268 /nfs/dbraw/zinc/37/62/68/453376268.db2.gz ADQUDWDFRHZNLN-BBRMVZONSA-N 2 2 339.386 1.288 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C[C@H](C)O1 ZINC000662670708 453384338 /nfs/dbraw/zinc/38/43/38/453384338.db2.gz HJVITHFBOTVDEV-OZVIIMIRSA-N 2 2 341.402 1.580 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C[C@H](C)O1 ZINC000662670708 453384350 /nfs/dbraw/zinc/38/43/50/453384350.db2.gz HJVITHFBOTVDEV-OZVIIMIRSA-N 2 2 341.402 1.580 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000662673257 453388424 /nfs/dbraw/zinc/38/84/24/453388424.db2.gz JVQXQESPPSETOG-HOTGVXAUSA-N 2 2 341.402 1.438 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N2CCC[NH2+]CC2)c1)[NH+]1CCOCC1 ZINC000667075547 453389891 /nfs/dbraw/zinc/38/98/91/453389891.db2.gz AXQKUPWVGUAXDV-HNNXBMFYSA-N 2 2 332.448 1.907 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccn1C ZINC000660572298 453410927 /nfs/dbraw/zinc/41/09/27/453410927.db2.gz ANQWEIBPWYTYPG-AWEZNQCLSA-N 2 2 348.495 1.339 20 0 EDADLP CN(C)c1ncc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cn1 ZINC000656790317 453447779 /nfs/dbraw/zinc/44/77/79/453447779.db2.gz OPUCUIBSTZQKLK-IAGOWNOFSA-N 2 2 329.423 1.917 20 0 EDADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000646576555 453484949 /nfs/dbraw/zinc/48/49/49/453484949.db2.gz RPPBIWUWJXBVLS-QGZVFWFLSA-N 2 2 331.460 1.345 20 0 EDADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000646576555 453484956 /nfs/dbraw/zinc/48/49/56/453484956.db2.gz RPPBIWUWJXBVLS-QGZVFWFLSA-N 2 2 331.460 1.345 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000660656781 453493734 /nfs/dbraw/zinc/49/37/34/453493734.db2.gz XYEDLZMPQPNOCU-LJQANCHMSA-N 3 2 334.508 1.147 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000660656781 453493738 /nfs/dbraw/zinc/49/37/38/453493738.db2.gz XYEDLZMPQPNOCU-LJQANCHMSA-N 3 2 334.508 1.147 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000660656781 453493742 /nfs/dbraw/zinc/49/37/42/453493742.db2.gz XYEDLZMPQPNOCU-LJQANCHMSA-N 3 2 334.508 1.147 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000660656781 453493749 /nfs/dbraw/zinc/49/37/49/453493749.db2.gz XYEDLZMPQPNOCU-LJQANCHMSA-N 3 2 334.508 1.147 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1[nH+]ccn1C ZINC000667255898 453516997 /nfs/dbraw/zinc/51/69/97/453516997.db2.gz ZPMORAKQHZFOEJ-AWEZNQCLSA-N 2 2 335.452 1.235 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660695796 453520361 /nfs/dbraw/zinc/52/03/61/453520361.db2.gz LQSAUIIJADQPTF-GVDBMIGSSA-N 2 2 337.508 1.506 20 0 EDADLP CSc1cccnc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000667289069 453535514 /nfs/dbraw/zinc/53/55/14/453535514.db2.gz DVSQYXAJNCWQIA-UHFFFAOYSA-N 2 2 325.482 1.809 20 0 EDADLP CSc1cccnc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000667289069 453535522 /nfs/dbraw/zinc/53/55/22/453535522.db2.gz DVSQYXAJNCWQIA-UHFFFAOYSA-N 2 2 325.482 1.809 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449788 453536300 /nfs/dbraw/zinc/53/63/00/453536300.db2.gz PBCZBJCCRIACRM-SUMDDJOVSA-N 2 2 328.460 1.677 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000662883955 453586174 /nfs/dbraw/zinc/58/61/74/453586174.db2.gz SBQXVXGTECDCPQ-JKSUJKDBSA-N 2 2 337.439 1.783 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899810 453594552 /nfs/dbraw/zinc/59/45/52/453594552.db2.gz HDXOLMGCNSZIAR-HKUYNNGSSA-N 3 2 344.503 1.622 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899810 453594553 /nfs/dbraw/zinc/59/45/53/453594553.db2.gz HDXOLMGCNSZIAR-HKUYNNGSSA-N 3 2 344.503 1.622 20 0 EDADLP C[C@@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1[nH+]ccn1C ZINC000659042057 453595460 /nfs/dbraw/zinc/59/54/60/453595460.db2.gz RVVOIEKJWVNZBB-DOMZBBRYSA-N 2 2 329.404 1.964 20 0 EDADLP CCc1nnc([C@@H](C)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)[nH]1 ZINC000660834726 453597473 /nfs/dbraw/zinc/59/74/73/453597473.db2.gz QGTDZVUMNDYJMB-OAHLLOKOSA-N 2 2 334.512 1.920 20 0 EDADLP CCc1nnc([C@@H](C)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)[nH]1 ZINC000660834726 453597476 /nfs/dbraw/zinc/59/74/76/453597476.db2.gz QGTDZVUMNDYJMB-OAHLLOKOSA-N 2 2 334.512 1.920 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000660855210 453612202 /nfs/dbraw/zinc/61/22/02/453612202.db2.gz LOIPTKZPTCMDMH-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000660855210 453612204 /nfs/dbraw/zinc/61/22/04/453612204.db2.gz LOIPTKZPTCMDMH-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660855210 453612206 /nfs/dbraw/zinc/61/22/06/453612206.db2.gz LOIPTKZPTCMDMH-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660855210 453612209 /nfs/dbraw/zinc/61/22/09/453612209.db2.gz LOIPTKZPTCMDMH-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662939412 453615175 /nfs/dbraw/zinc/61/51/75/453615175.db2.gz FWUKDBLDCMUYTH-NJAFHUGGSA-N 2 2 332.492 1.292 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662939412 453615178 /nfs/dbraw/zinc/61/51/78/453615178.db2.gz FWUKDBLDCMUYTH-NJAFHUGGSA-N 2 2 332.492 1.292 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)[nH+]1 ZINC000659092580 453626035 /nfs/dbraw/zinc/62/60/35/453626035.db2.gz WMTQIGLBYCYUIR-MRXNPFEDSA-N 2 2 344.459 1.875 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000659108098 453640155 /nfs/dbraw/zinc/64/01/55/453640155.db2.gz KPMWCMOITCYPCJ-OAHLLOKOSA-N 2 2 329.404 1.300 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CC12CCC(CC1)C2 ZINC000657090845 453674140 /nfs/dbraw/zinc/67/41/40/453674140.db2.gz IIYHOITWJBKAMN-UHFFFAOYSA-N 2 2 331.526 1.370 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CC12CCC(CC1)C2 ZINC000657090845 453674142 /nfs/dbraw/zinc/67/41/42/453674142.db2.gz IIYHOITWJBKAMN-UHFFFAOYSA-N 2 2 331.526 1.370 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661043685 453692599 /nfs/dbraw/zinc/69/25/99/453692599.db2.gz DLCXNNDRIUOOCW-DLBZAZTESA-N 2 2 339.443 1.772 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661043685 453692603 /nfs/dbraw/zinc/69/26/03/453692603.db2.gz DLCXNNDRIUOOCW-DLBZAZTESA-N 2 2 339.443 1.772 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)c1 ZINC000665536351 453736088 /nfs/dbraw/zinc/73/60/88/453736088.db2.gz OWXITCICWRQFKL-RDTXWAMCSA-N 2 2 342.443 1.942 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[NH+](C)C)c1 ZINC000665536351 453736093 /nfs/dbraw/zinc/73/60/93/453736093.db2.gz OWXITCICWRQFKL-RDTXWAMCSA-N 2 2 342.443 1.942 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000663298753 453761301 /nfs/dbraw/zinc/76/13/01/453761301.db2.gz CFIZVFGKCMDANA-GOSISDBHSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663303698 453763113 /nfs/dbraw/zinc/76/31/13/453763113.db2.gz JEVZOCHTTQEFMB-HOCLYGCPSA-N 2 2 347.459 1.865 20 0 EDADLP Cc1c(Br)cncc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657325515 453765640 /nfs/dbraw/zinc/76/56/40/453765640.db2.gz JRTXKZMFXPDRCW-ZDUSSCGKSA-N 2 2 328.254 1.699 20 0 EDADLP CC[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000657338171 453769171 /nfs/dbraw/zinc/76/91/71/453769171.db2.gz SXQHAOFQBOUJBC-HZPDHXFCSA-N 2 2 332.448 1.277 20 0 EDADLP COCc1csc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000657340868 453769435 /nfs/dbraw/zinc/76/94/35/453769435.db2.gz BQEPWJXRJQKDFY-INIZCTEOSA-N 2 2 339.505 1.927 20 0 EDADLP COCc1csc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000657340868 453769436 /nfs/dbraw/zinc/76/94/36/453769436.db2.gz BQEPWJXRJQKDFY-INIZCTEOSA-N 2 2 339.505 1.927 20 0 EDADLP C[NH+](C)C1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000665620806 453770016 /nfs/dbraw/zinc/77/00/16/453770016.db2.gz KJUYZUINWGKTSP-UHFFFAOYSA-N 2 2 327.432 1.073 20 0 EDADLP CC(C)[C@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[NH+]1CCCC1 ZINC000663379200 453784354 /nfs/dbraw/zinc/78/43/54/453784354.db2.gz LDGKYMLYOCUZSJ-HNNXBMFYSA-N 2 2 346.479 1.287 20 0 EDADLP CC1(O)CCN(c2cc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)CC1 ZINC000663398679 453788930 /nfs/dbraw/zinc/78/89/30/453788930.db2.gz XVNJNTSYCRWYNY-LSDHHAIUSA-N 2 2 331.464 1.867 20 0 EDADLP CC1(O)CCN(c2cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)CC1 ZINC000663398679 453788933 /nfs/dbraw/zinc/78/89/33/453788933.db2.gz XVNJNTSYCRWYNY-LSDHHAIUSA-N 2 2 331.464 1.867 20 0 EDADLP CC1(O)CCN(c2cc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH+]cn2)CC1 ZINC000663398679 453788936 /nfs/dbraw/zinc/78/89/36/453788936.db2.gz XVNJNTSYCRWYNY-LSDHHAIUSA-N 2 2 331.464 1.867 20 0 EDADLP CC1(O)CCN(c2cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)[nH+]cn2)CC1 ZINC000663398679 453788938 /nfs/dbraw/zinc/78/89/38/453788938.db2.gz XVNJNTSYCRWYNY-LSDHHAIUSA-N 2 2 331.464 1.867 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000661349804 453797347 /nfs/dbraw/zinc/79/73/47/453797347.db2.gz QGZWZYXFXWPPIL-MRXNPFEDSA-N 2 2 329.448 1.969 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000661349804 453797349 /nfs/dbraw/zinc/79/73/49/453797349.db2.gz QGZWZYXFXWPPIL-MRXNPFEDSA-N 2 2 329.448 1.969 20 0 EDADLP CC1CCC(O)(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000663464755 453804036 /nfs/dbraw/zinc/80/40/36/453804036.db2.gz MTPZARZDECSPRK-UHFFFAOYSA-N 2 2 339.524 1.314 20 0 EDADLP CC1CCC(O)(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000663464755 453804038 /nfs/dbraw/zinc/80/40/38/453804038.db2.gz MTPZARZDECSPRK-UHFFFAOYSA-N 2 2 339.524 1.314 20 0 EDADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)N1CCCC1 ZINC000671676078 486710400 /nfs/dbraw/zinc/71/04/00/486710400.db2.gz MSEXFIWRPVNWFE-UHFFFAOYSA-N 2 2 344.503 1.753 20 0 EDADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)N1CCCC1 ZINC000671676078 486710403 /nfs/dbraw/zinc/71/04/03/486710403.db2.gz MSEXFIWRPVNWFE-UHFFFAOYSA-N 2 2 344.503 1.753 20 0 EDADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000414194996 486713173 /nfs/dbraw/zinc/71/31/73/486713173.db2.gz YIYLMJBKZJOSAR-SJORKVTESA-N 2 2 331.460 1.707 20 0 EDADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000414194996 486713183 /nfs/dbraw/zinc/71/31/83/486713183.db2.gz YIYLMJBKZJOSAR-SJORKVTESA-N 2 2 331.460 1.707 20 0 EDADLP CCn1nccc1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000667409860 486768927 /nfs/dbraw/zinc/76/89/27/486768927.db2.gz JGVNFVIKJUKTII-UHFFFAOYSA-N 2 2 336.484 1.070 20 0 EDADLP CCn1nccc1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000667409860 486768928 /nfs/dbraw/zinc/76/89/28/486768928.db2.gz JGVNFVIKJUKTII-UHFFFAOYSA-N 2 2 336.484 1.070 20 0 EDADLP C[NH2+]CCN(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415784943 486771101 /nfs/dbraw/zinc/77/11/01/486771101.db2.gz GDVXMIYDWDEVAE-UHFFFAOYSA-N 2 2 330.230 1.593 20 0 EDADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000673058059 486897775 /nfs/dbraw/zinc/89/77/75/486897775.db2.gz RUTLGFKQUDWHOJ-RDJZCZTQSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000673058059 486897780 /nfs/dbraw/zinc/89/77/80/486897780.db2.gz RUTLGFKQUDWHOJ-RDJZCZTQSA-N 2 2 326.444 1.989 20 0 EDADLP CN(C(=O)N[C@H]1CCCC1(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673206787 486948577 /nfs/dbraw/zinc/94/85/77/486948577.db2.gz ZRXDXICEGZZEEV-GJZGRUSLSA-N 2 2 344.450 1.984 20 0 EDADLP CN(C(=O)N[C@H]1CCCC1(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673206787 486948579 /nfs/dbraw/zinc/94/85/79/486948579.db2.gz ZRXDXICEGZZEEV-GJZGRUSLSA-N 2 2 344.450 1.984 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)[NH+](CC)CC ZINC000673467157 487010070 /nfs/dbraw/zinc/01/00/70/487010070.db2.gz GBFITDBTIRVKMR-CABCVRRESA-N 2 2 337.468 1.518 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+](CC)CC ZINC000673467157 487010074 /nfs/dbraw/zinc/01/00/74/487010074.db2.gz GBFITDBTIRVKMR-CABCVRRESA-N 2 2 337.468 1.518 20 0 EDADLP COCC[NH+]1CCC(NC(=O)Nc2c[nH+]c3c(C)cccn23)CC1 ZINC000667948531 487027009 /nfs/dbraw/zinc/02/70/09/487027009.db2.gz CILXPNMOBUSDJM-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000684372999 487040330 /nfs/dbraw/zinc/04/03/30/487040330.db2.gz WBCVNKKHROHJQG-HUUCEWRRSA-N 2 2 349.475 1.559 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627949 487070633 /nfs/dbraw/zinc/07/06/33/487070633.db2.gz ZLZQFZAJDOAINO-DZGCQCFKSA-N 2 2 325.478 1.682 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627949 487070640 /nfs/dbraw/zinc/07/06/40/487070640.db2.gz ZLZQFZAJDOAINO-DZGCQCFKSA-N 2 2 325.478 1.682 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@](C)(O)Cc3ccccc3)C2)CC1 ZINC000673669886 487085495 /nfs/dbraw/zinc/08/54/95/487085495.db2.gz WKQMZLXYEJQHPL-XLIONFOSSA-N 2 2 345.487 1.265 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@](C)(O)Cc3ccccc3)C2)CC1 ZINC000673669886 487085499 /nfs/dbraw/zinc/08/54/99/487085499.db2.gz WKQMZLXYEJQHPL-XLIONFOSSA-N 2 2 345.487 1.265 20 0 EDADLP Cn1cc(-c2nc(C[N@H+](C)CCCN3CC[NH+](C)CC3)cs2)cn1 ZINC000673712761 487098823 /nfs/dbraw/zinc/09/88/23/487098823.db2.gz FXASPHSYCCWTCH-UHFFFAOYSA-N 2 2 348.520 1.613 20 0 EDADLP Cn1cc(-c2nc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cs2)cn1 ZINC000673712761 487098828 /nfs/dbraw/zinc/09/88/28/487098828.db2.gz FXASPHSYCCWTCH-UHFFFAOYSA-N 2 2 348.520 1.613 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[NH+](C4CCOCC4)CC3)cc2[nH+]1 ZINC000668156124 487123470 /nfs/dbraw/zinc/12/34/70/487123470.db2.gz JDCWKYPYYUCIDC-UHFFFAOYSA-N 2 2 343.431 1.971 20 0 EDADLP Cn1ncc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C(F)F ZINC000677629949 487134379 /nfs/dbraw/zinc/13/43/79/487134379.db2.gz RUWOUBNFBSOCGQ-UHFFFAOYSA-N 2 2 344.410 1.505 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C(F)F)C2)C1 ZINC000677733954 487160969 /nfs/dbraw/zinc/16/09/69/487160969.db2.gz MIUNDXGAUYTMOA-KBPBESRZSA-N 2 2 333.423 1.046 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C(F)F)C2)C1 ZINC000677733954 487160972 /nfs/dbraw/zinc/16/09/72/487160972.db2.gz MIUNDXGAUYTMOA-KBPBESRZSA-N 2 2 333.423 1.046 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677733954 487160975 /nfs/dbraw/zinc/16/09/75/487160975.db2.gz MIUNDXGAUYTMOA-KBPBESRZSA-N 2 2 333.423 1.046 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677733954 487160979 /nfs/dbraw/zinc/16/09/79/487160979.db2.gz MIUNDXGAUYTMOA-KBPBESRZSA-N 2 2 333.423 1.046 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c(F)ccc(O)c3F)C2)CC1 ZINC000685434921 487273315 /nfs/dbraw/zinc/27/33/15/487273315.db2.gz IWTMWCLXOSGXLJ-LLVKDONJSA-N 2 2 339.386 1.569 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c(F)ccc(O)c3F)C2)CC1 ZINC000685434921 487273319 /nfs/dbraw/zinc/27/33/19/487273319.db2.gz IWTMWCLXOSGXLJ-LLVKDONJSA-N 2 2 339.386 1.569 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(C)CCOCC3)C2)CC1 ZINC000674673915 487295743 /nfs/dbraw/zinc/29/57/43/487295743.db2.gz SDFVTKDMBBBHSZ-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(C)CCOCC3)C2)CC1 ZINC000674673915 487295746 /nfs/dbraw/zinc/29/57/46/487295746.db2.gz SDFVTKDMBBBHSZ-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685610474 487302961 /nfs/dbraw/zinc/30/29/61/487302961.db2.gz ISAZIESXZSKMAT-HNNXBMFYSA-N 2 2 325.478 1.640 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685610474 487302964 /nfs/dbraw/zinc/30/29/64/487302964.db2.gz ISAZIESXZSKMAT-HNNXBMFYSA-N 2 2 325.478 1.640 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685610474 487302966 /nfs/dbraw/zinc/30/29/66/487302966.db2.gz ISAZIESXZSKMAT-HNNXBMFYSA-N 2 2 325.478 1.640 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685610474 487302969 /nfs/dbraw/zinc/30/29/69/487302969.db2.gz ISAZIESXZSKMAT-HNNXBMFYSA-N 2 2 325.478 1.640 20 0 EDADLP COCc1nc(OC)cc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000682392671 487356881 /nfs/dbraw/zinc/35/68/81/487356881.db2.gz SXMOEUZMWAQKJT-HNNXBMFYSA-N 2 2 349.479 1.236 20 0 EDADLP COCc1nc(OC)cc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000682392671 487356882 /nfs/dbraw/zinc/35/68/82/487356882.db2.gz SXMOEUZMWAQKJT-HNNXBMFYSA-N 2 2 349.479 1.236 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000682480791 487373138 /nfs/dbraw/zinc/37/31/38/487373138.db2.gz GHUIXTSTFKMRCO-CVEARBPZSA-N 2 2 332.448 1.159 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000682480791 487373139 /nfs/dbraw/zinc/37/31/39/487373139.db2.gz GHUIXTSTFKMRCO-CVEARBPZSA-N 2 2 332.448 1.159 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000675095359 487377319 /nfs/dbraw/zinc/37/73/19/487377319.db2.gz IDRXIVUPILBGOR-KSSFIOAISA-N 2 2 328.460 1.784 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000675095359 487377322 /nfs/dbraw/zinc/37/73/22/487377322.db2.gz IDRXIVUPILBGOR-KSSFIOAISA-N 2 2 328.460 1.784 20 0 EDADLP C[NH+]1CCN(C(=O)CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678921942 487379400 /nfs/dbraw/zinc/37/94/00/487379400.db2.gz JZCAIOJYWAJFKW-GOSISDBHSA-N 2 2 344.503 1.403 20 0 EDADLP C[NH+]1CCN(C(=O)CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678921942 487379401 /nfs/dbraw/zinc/37/94/01/487379401.db2.gz JZCAIOJYWAJFKW-GOSISDBHSA-N 2 2 344.503 1.403 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000675177068 487384973 /nfs/dbraw/zinc/38/49/73/487384973.db2.gz IBJSNQNXXPKZDY-HNNXBMFYSA-N 2 2 333.480 1.936 20 0 EDADLP C[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1F ZINC000679290627 487409691 /nfs/dbraw/zinc/40/96/91/487409691.db2.gz XRVQPPLBEBIKQK-YOEHRIQHSA-N 2 2 340.487 1.935 20 0 EDADLP Cc1nc(CC2CC2)oc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682807087 487416952 /nfs/dbraw/zinc/41/69/52/487416952.db2.gz OVGBLZYOMXMHRV-HNNXBMFYSA-N 2 2 346.475 1.834 20 0 EDADLP Cc1nc(CC2CC2)oc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682807087 487416954 /nfs/dbraw/zinc/41/69/54/487416954.db2.gz OVGBLZYOMXMHRV-HNNXBMFYSA-N 2 2 346.475 1.834 20 0 EDADLP CCn1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000682868546 487424307 /nfs/dbraw/zinc/42/43/07/487424307.db2.gz JLDUBBYSAQXMRB-KRWDZBQOSA-N 2 2 347.507 1.818 20 0 EDADLP CCn1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000682868546 487424310 /nfs/dbraw/zinc/42/43/10/487424310.db2.gz JLDUBBYSAQXMRB-KRWDZBQOSA-N 2 2 347.507 1.818 20 0 EDADLP COCCOc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000675782787 487443678 /nfs/dbraw/zinc/44/36/78/487443678.db2.gz YDOJTVDRZOWOKU-HNNXBMFYSA-N 2 2 335.448 1.136 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000675781845 487443881 /nfs/dbraw/zinc/44/38/81/487443881.db2.gz DKVAZYGEPTUARE-OAHLLOKOSA-N 2 2 337.851 1.917 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+]1C ZINC000683137498 487453474 /nfs/dbraw/zinc/45/34/74/487453474.db2.gz VFSOLEGMLAABNS-MSOLQXFVSA-N 2 2 330.476 1.845 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+]1C ZINC000683137498 487453476 /nfs/dbraw/zinc/45/34/76/487453476.db2.gz VFSOLEGMLAABNS-MSOLQXFVSA-N 2 2 330.476 1.845 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+]1C ZINC000683137498 487453478 /nfs/dbraw/zinc/45/34/78/487453478.db2.gz VFSOLEGMLAABNS-MSOLQXFVSA-N 2 2 330.476 1.845 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+]1C ZINC000683137498 487453482 /nfs/dbraw/zinc/45/34/82/487453482.db2.gz VFSOLEGMLAABNS-MSOLQXFVSA-N 2 2 330.476 1.845 20 0 EDADLP COc1cc(C)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)n1 ZINC000679770400 487464423 /nfs/dbraw/zinc/46/44/23/487464423.db2.gz ODTMNSWTBUNZGD-QGZVFWFLSA-N 2 2 332.492 1.919 20 0 EDADLP COc1cc(C)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)n1 ZINC000679770400 487464424 /nfs/dbraw/zinc/46/44/24/487464424.db2.gz ODTMNSWTBUNZGD-QGZVFWFLSA-N 2 2 332.492 1.919 20 0 EDADLP CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C12CCCCC2 ZINC000669520667 485487581 /nfs/dbraw/zinc/48/75/81/485487581.db2.gz TVELXRBPGQFMFZ-BZUAXINKSA-N 2 2 338.496 1.399 20 0 EDADLP CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C12CCCCC2 ZINC000669520667 485487592 /nfs/dbraw/zinc/48/75/92/485487592.db2.gz TVELXRBPGQFMFZ-BZUAXINKSA-N 2 2 338.496 1.399 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCc1ccc(F)cc1 ZINC000324189787 485510690 /nfs/dbraw/zinc/51/06/90/485510690.db2.gz JYHBYXVOZPTCND-SJLPKXTDSA-N 2 2 333.451 1.948 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCc1ccc(F)cc1 ZINC000324189787 485510698 /nfs/dbraw/zinc/51/06/98/485510698.db2.gz JYHBYXVOZPTCND-SJLPKXTDSA-N 2 2 333.451 1.948 20 0 EDADLP O=C(N1CC[NH+](Cc2ccncc2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000324291760 485530543 /nfs/dbraw/zinc/53/05/43/485530543.db2.gz SHXNQQISBFPFNK-HNNXBMFYSA-N 2 2 342.365 1.268 20 0 EDADLP Cc1ccc(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)c(N2CCCC2)[nH+]1 ZINC000669555630 485556261 /nfs/dbraw/zinc/55/62/61/485556261.db2.gz VGUGWPFLJFBGPI-GOSISDBHSA-N 2 2 349.454 1.833 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324649967 485580854 /nfs/dbraw/zinc/58/08/54/485580854.db2.gz XEAOYUJFQIXXFM-AEFFLSMTSA-N 2 2 331.460 1.775 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324649967 485580864 /nfs/dbraw/zinc/58/08/64/485580864.db2.gz XEAOYUJFQIXXFM-AEFFLSMTSA-N 2 2 331.460 1.775 20 0 EDADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000672602849 485937635 /nfs/dbraw/zinc/93/76/35/485937635.db2.gz FSPDKYPCHIJGEN-AWEZNQCLSA-N 2 2 343.830 1.530 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cn(C)nn2)CC1 ZINC000668605049 485937897 /nfs/dbraw/zinc/93/78/97/485937897.db2.gz BJHTUNLFAVRNSR-UHFFFAOYSA-N 2 2 342.491 1.979 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cn(C)nn2)CC1 ZINC000668605049 485937902 /nfs/dbraw/zinc/93/79/02/485937902.db2.gz BJHTUNLFAVRNSR-UHFFFAOYSA-N 2 2 342.491 1.979 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000669386346 486021408 /nfs/dbraw/zinc/02/14/08/486021408.db2.gz CFXCRZHMZACTAE-QZTJIDSGSA-N 2 2 339.443 1.825 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000669442207 486199121 /nfs/dbraw/zinc/19/91/21/486199121.db2.gz RYNONIXBGYLPGM-HZPDHXFCSA-N 3 2 349.479 1.009 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000669442207 486199129 /nfs/dbraw/zinc/19/91/29/486199129.db2.gz RYNONIXBGYLPGM-HZPDHXFCSA-N 3 2 349.479 1.009 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000669474543 486227472 /nfs/dbraw/zinc/22/74/72/486227472.db2.gz OPPAXXDXLTXYIN-NWDGAFQWSA-N 2 2 326.391 1.576 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000669474543 486227477 /nfs/dbraw/zinc/22/74/77/486227477.db2.gz OPPAXXDXLTXYIN-NWDGAFQWSA-N 2 2 326.391 1.576 20 0 EDADLP CC[C@@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)[NH+](CC)CC ZINC000670399778 486445220 /nfs/dbraw/zinc/44/52/20/486445220.db2.gz GHMZOOVKJKQWCG-AWEZNQCLSA-N 2 2 337.468 1.792 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000132855176 491217240 /nfs/dbraw/zinc/21/72/40/491217240.db2.gz XPICJAHWBZNAHQ-DYVFJYSZSA-N 2 2 345.447 1.363 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000132855176 491217241 /nfs/dbraw/zinc/21/72/41/491217241.db2.gz XPICJAHWBZNAHQ-DYVFJYSZSA-N 2 2 345.447 1.363 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@@H]21 ZINC000305130219 491010023 /nfs/dbraw/zinc/01/00/23/491010023.db2.gz JOKGIBQXXHZZDP-BZSNNMDCSA-N 2 2 336.501 1.686 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@@H]21 ZINC000305130219 491010024 /nfs/dbraw/zinc/01/00/24/491010024.db2.gz JOKGIBQXXHZZDP-BZSNNMDCSA-N 2 2 336.501 1.686 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000305130219 491010025 /nfs/dbraw/zinc/01/00/25/491010025.db2.gz JOKGIBQXXHZZDP-BZSNNMDCSA-N 2 2 336.501 1.686 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000305130219 491010026 /nfs/dbraw/zinc/01/00/26/491010026.db2.gz JOKGIBQXXHZZDP-BZSNNMDCSA-N 2 2 336.501 1.686 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000305350859 491011061 /nfs/dbraw/zinc/01/10/61/491011061.db2.gz WFUYEYYRFMQYHK-UXLLHSPISA-N 2 2 331.416 1.721 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000305350859 491011062 /nfs/dbraw/zinc/01/10/62/491011062.db2.gz WFUYEYYRFMQYHK-UXLLHSPISA-N 2 2 331.416 1.721 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267438580 491020324 /nfs/dbraw/zinc/02/03/24/491020324.db2.gz ONTFZORGBKCLBN-ZJUUUORDSA-N 2 2 347.341 1.366 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267438580 491020325 /nfs/dbraw/zinc/02/03/25/491020325.db2.gz ONTFZORGBKCLBN-ZJUUUORDSA-N 2 2 347.341 1.366 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000079767617 491167543 /nfs/dbraw/zinc/16/75/43/491167543.db2.gz NBHFEUHTGZMEBH-LJQANCHMSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000079767617 491167546 /nfs/dbraw/zinc/16/75/46/491167546.db2.gz NBHFEUHTGZMEBH-LJQANCHMSA-N 2 2 345.487 1.342 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159138609 533821829 /nfs/dbraw/zinc/82/18/29/533821829.db2.gz UUECMOIKUQJJFT-KRWDZBQOSA-N 2 2 345.491 1.783 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000164050786 534437461 /nfs/dbraw/zinc/43/74/61/534437461.db2.gz VVASMODAUQXYSB-DAYGRLMNSA-N 2 2 345.487 1.877 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000164050786 534437466 /nfs/dbraw/zinc/43/74/66/534437466.db2.gz VVASMODAUQXYSB-DAYGRLMNSA-N 2 2 345.487 1.877 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181083087 527377017 /nfs/dbraw/zinc/37/70/17/527377017.db2.gz LAEAIHJYEFYXOV-KRWDZBQOSA-N 2 2 331.416 1.848 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181083087 527377025 /nfs/dbraw/zinc/37/70/25/527377025.db2.gz LAEAIHJYEFYXOV-KRWDZBQOSA-N 2 2 331.416 1.848 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153139010 527893831 /nfs/dbraw/zinc/89/38/31/527893831.db2.gz KXAWRSYHIKJLHW-ZACQAIPSSA-N 2 2 343.475 1.929 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153139010 527893835 /nfs/dbraw/zinc/89/38/35/527893835.db2.gz KXAWRSYHIKJLHW-ZACQAIPSSA-N 2 2 343.475 1.929 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)NC(=O)NC3CC3)C2)CC1 ZINC000154739902 528253545 /nfs/dbraw/zinc/25/35/45/528253545.db2.gz GTWFNVAYMGMCKT-OAHLLOKOSA-N 2 2 336.480 1.419 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)CC1 ZINC000154739902 528253549 /nfs/dbraw/zinc/25/35/49/528253549.db2.gz GTWFNVAYMGMCKT-OAHLLOKOSA-N 2 2 336.480 1.419 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+]1CCCCC1 ZINC000352800465 535379472 /nfs/dbraw/zinc/37/94/72/535379472.db2.gz PXWJLUOFKVFHLZ-INIZCTEOSA-N 2 2 349.479 1.085 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCCCC1 ZINC000352800465 535379474 /nfs/dbraw/zinc/37/94/74/535379474.db2.gz PXWJLUOFKVFHLZ-INIZCTEOSA-N 2 2 349.479 1.085 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000066568430 535613954 /nfs/dbraw/zinc/61/39/54/535613954.db2.gz ANMNGKUOWCDQLM-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H](C[NH3+])OC ZINC000262782122 535701437 /nfs/dbraw/zinc/70/14/37/535701437.db2.gz LIQWQVKFCOCZRN-MRXNPFEDSA-N 2 2 334.464 1.510 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000353318298 535733011 /nfs/dbraw/zinc/73/30/11/535733011.db2.gz ZBYDHFFWZSRBQN-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000353318298 535733015 /nfs/dbraw/zinc/73/30/15/535733015.db2.gz ZBYDHFFWZSRBQN-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)C1CCOCC1 ZINC000333591358 536125429 /nfs/dbraw/zinc/12/54/29/536125429.db2.gz BAMVOZIQSKELEW-SQWLQELKSA-N 2 2 349.479 1.763 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C(C)(C)C1 ZINC000347325712 536407649 /nfs/dbraw/zinc/40/76/49/536407649.db2.gz LELIXACAYKZDGV-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C(C)(C)C1 ZINC000347325712 536407651 /nfs/dbraw/zinc/40/76/51/536407651.db2.gz LELIXACAYKZDGV-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2cn3c(cccc3C)[nH+]2)[N@H+](C)C1 ZINC000347012026 536774268 /nfs/dbraw/zinc/77/42/68/536774268.db2.gz LMUQAZTYVZQLEE-JKSUJKDBSA-N 2 2 345.447 1.503 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2cn3c(cccc3C)[nH+]2)[N@@H+](C)C1 ZINC000347012026 536774272 /nfs/dbraw/zinc/77/42/72/536774272.db2.gz LMUQAZTYVZQLEE-JKSUJKDBSA-N 2 2 345.447 1.503 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC000725716550 578277794 /nfs/dbraw/zinc/27/77/94/578277794.db2.gz WBRZUPAQTMKNQD-AWEZNQCLSA-N 2 2 334.464 1.334 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CCCCC2)CCO1 ZINC000726256142 578339131 /nfs/dbraw/zinc/33/91/31/578339131.db2.gz KKJSFSSSWTYFBG-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CCCCC2)CCO1 ZINC000726256142 578339133 /nfs/dbraw/zinc/33/91/33/578339133.db2.gz KKJSFSSSWTYFBG-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CCCCC2)CCO1 ZINC000726256142 578339134 /nfs/dbraw/zinc/33/91/34/578339134.db2.gz KKJSFSSSWTYFBG-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000726256142 578339135 /nfs/dbraw/zinc/33/91/35/578339135.db2.gz KKJSFSSSWTYFBG-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C[C@H](O)c2ccccc2F)nc[nH+]1 ZINC000729920242 578599420 /nfs/dbraw/zinc/59/94/20/578599420.db2.gz LNEPYXSAGCSHRQ-BBRMVZONSA-N 2 2 345.422 1.949 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cn1 ZINC000729929107 578604262 /nfs/dbraw/zinc/60/42/62/578604262.db2.gz BHLJQRLBFICQEI-SFHVURJKSA-N 2 2 349.523 1.212 20 0 EDADLP CC[C@H]1CC(=O)N(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000760286042 580027103 /nfs/dbraw/zinc/02/71/03/580027103.db2.gz GGWOMPOUYDJBPD-KRWDZBQOSA-N 2 2 336.524 1.693 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000731116831 578667800 /nfs/dbraw/zinc/66/78/00/578667800.db2.gz QIMUBAUFSWWXSS-MRXNPFEDSA-N 2 2 340.431 1.551 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000731116831 578667802 /nfs/dbraw/zinc/66/78/02/578667802.db2.gz QIMUBAUFSWWXSS-MRXNPFEDSA-N 2 2 340.431 1.551 20 0 EDADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000732456361 578713588 /nfs/dbraw/zinc/71/35/88/578713588.db2.gz OVAJUASOROOTLY-INIZCTEOSA-N 2 2 327.517 1.044 20 0 EDADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000732456361 578713590 /nfs/dbraw/zinc/71/35/90/578713590.db2.gz OVAJUASOROOTLY-INIZCTEOSA-N 2 2 327.517 1.044 20 0 EDADLP CCc1noc(CCCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000732781720 578728210 /nfs/dbraw/zinc/72/82/10/578728210.db2.gz SKQQRFVPGALQFK-CQSZACIVSA-N 2 2 349.479 1.239 20 0 EDADLP CCc1noc(CCCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000732781720 578728212 /nfs/dbraw/zinc/72/82/12/578728212.db2.gz SKQQRFVPGALQFK-CQSZACIVSA-N 2 2 349.479 1.239 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4c([nH]c3=O)CCC4)C2)CC1 ZINC000732781676 578728273 /nfs/dbraw/zinc/72/82/73/578728273.db2.gz RYQCPDPAIDNKGR-AWEZNQCLSA-N 2 2 344.459 1.174 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4c([nH]c3=O)CCC4)C2)CC1 ZINC000732781676 578728274 /nfs/dbraw/zinc/72/82/74/578728274.db2.gz RYQCPDPAIDNKGR-AWEZNQCLSA-N 2 2 344.459 1.174 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C2OCCO2)CC1 ZINC000733995673 578792610 /nfs/dbraw/zinc/79/26/10/578792610.db2.gz LCNBZGNYHPVQQS-MRXNPFEDSA-N 2 2 339.480 1.203 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C2OCCO2)CC1 ZINC000733995673 578792611 /nfs/dbraw/zinc/79/26/11/578792611.db2.gz LCNBZGNYHPVQQS-MRXNPFEDSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@@](CO)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000735561742 578898865 /nfs/dbraw/zinc/89/88/65/578898865.db2.gz CPJKPRBHOVAFMK-HOTGVXAUSA-N 2 2 346.393 1.959 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736143885 578957293 /nfs/dbraw/zinc/95/72/93/578957293.db2.gz LTGOXAGKYPWHFT-ZDUSSCGKSA-N 2 2 330.436 1.144 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736143885 578957294 /nfs/dbraw/zinc/95/72/94/578957294.db2.gz LTGOXAGKYPWHFT-ZDUSSCGKSA-N 2 2 330.436 1.144 20 0 EDADLP CC1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)C2=O ZINC000738158596 579166078 /nfs/dbraw/zinc/16/60/78/579166078.db2.gz MYGKSZWMLYUAKR-SWKXRBFHSA-N 2 2 345.447 1.978 20 0 EDADLP CC1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)C2=O ZINC000738158596 579166079 /nfs/dbraw/zinc/16/60/79/579166079.db2.gz MYGKSZWMLYUAKR-SWKXRBFHSA-N 2 2 345.447 1.978 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000745484366 579551388 /nfs/dbraw/zinc/55/13/88/579551388.db2.gz XGDGRWZJOQQFTJ-UKRRQHHQSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000745484366 579551389 /nfs/dbraw/zinc/55/13/89/579551389.db2.gz XGDGRWZJOQQFTJ-UKRRQHHQSA-N 2 2 328.420 1.549 20 0 EDADLP C[NH+]1CCC(CN2C(=O)[C@@H]3CCCN3C2=O)([NH+]2CCCCC2)CC1 ZINC000777663238 580447887 /nfs/dbraw/zinc/44/78/87/580447887.db2.gz JOKVOPCBKPLOSG-HNNXBMFYSA-N 2 2 334.464 1.363 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000749491327 579728611 /nfs/dbraw/zinc/72/86/11/579728611.db2.gz WWWOXTFNYOMNCC-BZUAXINKSA-N 2 2 341.496 1.821 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000749491327 579728612 /nfs/dbraw/zinc/72/86/12/579728612.db2.gz WWWOXTFNYOMNCC-BZUAXINKSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000749546336 579730040 /nfs/dbraw/zinc/73/00/40/579730040.db2.gz PLQRMLIIUOSHQE-KZNAEPCWSA-N 3 2 341.459 1.951 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000749546336 579730041 /nfs/dbraw/zinc/73/00/41/579730041.db2.gz PLQRMLIIUOSHQE-KZNAEPCWSA-N 3 2 341.459 1.951 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000749546335 579730078 /nfs/dbraw/zinc/73/00/78/579730078.db2.gz PLQRMLIIUOSHQE-KURKYZTESA-N 3 2 341.459 1.951 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000749546335 579730080 /nfs/dbraw/zinc/73/00/80/579730080.db2.gz PLQRMLIIUOSHQE-KURKYZTESA-N 3 2 341.459 1.951 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@@](C)(c3ccccn3)CC2=O)C1 ZINC000758241356 579978225 /nfs/dbraw/zinc/97/82/25/579978225.db2.gz UIBUNEQZKUARMQ-QKLQHJQFSA-N 2 2 342.487 1.945 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@@](C)(c3ccccn3)CC2=O)C1 ZINC000758241356 579978226 /nfs/dbraw/zinc/97/82/26/579978226.db2.gz UIBUNEQZKUARMQ-QKLQHJQFSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C[C@@](C)(c3ccccn3)CC2=O)C1 ZINC000758241356 579978227 /nfs/dbraw/zinc/97/82/27/579978227.db2.gz UIBUNEQZKUARMQ-QKLQHJQFSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C[C@@](C)(c3ccccn3)CC2=O)C1 ZINC000758241356 579978228 /nfs/dbraw/zinc/97/82/28/579978228.db2.gz UIBUNEQZKUARMQ-QKLQHJQFSA-N 2 2 342.487 1.945 20 0 EDADLP NS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766128548 580159889 /nfs/dbraw/zinc/15/98/89/580159889.db2.gz KLIIXQUSZPAYNU-IRXDYDNUSA-N 2 2 337.489 1.261 20 0 EDADLP NS(=O)(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766128548 580159890 /nfs/dbraw/zinc/15/98/90/580159890.db2.gz KLIIXQUSZPAYNU-IRXDYDNUSA-N 2 2 337.489 1.261 20 0 EDADLP NS(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766128548 580159891 /nfs/dbraw/zinc/15/98/91/580159891.db2.gz KLIIXQUSZPAYNU-IRXDYDNUSA-N 2 2 337.489 1.261 20 0 EDADLP NS(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766128548 580159892 /nfs/dbraw/zinc/15/98/92/580159892.db2.gz KLIIXQUSZPAYNU-IRXDYDNUSA-N 2 2 337.489 1.261 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000767461505 580190390 /nfs/dbraw/zinc/19/03/90/580190390.db2.gz KYMWFVYHCJVZHI-DLBZAZTESA-N 2 2 335.423 1.273 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000767461505 580190391 /nfs/dbraw/zinc/19/03/91/580190391.db2.gz KYMWFVYHCJVZHI-DLBZAZTESA-N 2 2 335.423 1.273 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000767462281 580190399 /nfs/dbraw/zinc/19/03/99/580190399.db2.gz POKOFSGFMVNZLO-OAHLLOKOSA-N 2 2 345.472 1.605 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000767462281 580190400 /nfs/dbraw/zinc/19/04/00/580190400.db2.gz POKOFSGFMVNZLO-OAHLLOKOSA-N 2 2 345.472 1.605 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770003309 580250857 /nfs/dbraw/zinc/25/08/57/580250857.db2.gz PPAVOEQJCAXZPL-AWEZNQCLSA-N 2 2 329.466 1.051 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770003309 580250858 /nfs/dbraw/zinc/25/08/58/580250858.db2.gz PPAVOEQJCAXZPL-AWEZNQCLSA-N 2 2 329.466 1.051 20 0 EDADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000773009106 580325130 /nfs/dbraw/zinc/32/51/30/580325130.db2.gz ZZGNUWYMBFYJLV-MAUKXSAKSA-N 2 2 349.450 1.279 20 0 EDADLP C[NH+](C)CCOC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000775602477 580394997 /nfs/dbraw/zinc/39/49/97/580394997.db2.gz YWVXSNAIQXEUKD-UHFFFAOYSA-N 2 2 343.475 1.869 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c(N(C)C)[nH+]1 ZINC000782057468 580565159 /nfs/dbraw/zinc/56/51/59/580565159.db2.gz BIKGBVXHSKJWCT-UHFFFAOYSA-N 2 2 335.452 1.376 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c(N(C)C)[nH+]1 ZINC000782057468 580565160 /nfs/dbraw/zinc/56/51/60/580565160.db2.gz BIKGBVXHSKJWCT-UHFFFAOYSA-N 2 2 335.452 1.376 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989711 580610535 /nfs/dbraw/zinc/61/05/35/580610535.db2.gz IANKFWXLNSOSNF-IAGOWNOFSA-N 3 2 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ZINC000788622782 580726241 /nfs/dbraw/zinc/72/62/41/580726241.db2.gz CRPGSVHZVRXQSB-CQSZACIVSA-N 2 2 341.496 1.942 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[N@@H+]1CC[C@H](c3[nH+]ccn3C)C1)C2 ZINC000790442676 580770028 /nfs/dbraw/zinc/77/00/28/580770028.db2.gz OQSAWOKAYUHBAZ-AWEZNQCLSA-N 2 2 326.400 1.832 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[N@H+]1CC[C@H](c3[nH+]ccn3C)C1)C2 ZINC000790442676 580770029 /nfs/dbraw/zinc/77/00/29/580770029.db2.gz OQSAWOKAYUHBAZ-AWEZNQCLSA-N 2 2 326.400 1.832 20 0 EDADLP Cc1ccc2c(c1)CC[N@@H+](CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)C2 ZINC000790446702 580770126 /nfs/dbraw/zinc/77/01/26/580770126.db2.gz LZCPNPNARXSSFE-UHFFFAOYSA-N 2 2 342.443 1.327 20 0 EDADLP Cc1ccc2c(c1)CC[N@H+](CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)C2 ZINC000790446702 580770127 /nfs/dbraw/zinc/77/01/27/580770127.db2.gz LZCPNPNARXSSFE-UHFFFAOYSA-N 2 2 342.443 1.327 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795890047 580940442 /nfs/dbraw/zinc/94/04/42/580940442.db2.gz WMTXLNFNEHLGLC-QGZVFWFLSA-N 2 2 326.481 1.866 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795890047 580940443 /nfs/dbraw/zinc/94/04/43/580940443.db2.gz WMTXLNFNEHLGLC-QGZVFWFLSA-N 2 2 326.481 1.866 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)s1 ZINC000796339671 580951340 /nfs/dbraw/zinc/95/13/40/580951340.db2.gz WNURFNBXBYVUQX-ZBFHGGJFSA-N 2 2 335.473 1.779 20 0 EDADLP O=C(OCCC[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000800172009 581046058 /nfs/dbraw/zinc/04/60/58/581046058.db2.gz BPIFWCMCZPLXMT-GOSISDBHSA-N 2 2 332.444 1.917 20 0 EDADLP O=C(OCCC[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000800172009 581046059 /nfs/dbraw/zinc/04/60/59/581046059.db2.gz BPIFWCMCZPLXMT-GOSISDBHSA-N 2 2 332.444 1.917 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892045690 590770148 /nfs/dbraw/zinc/77/01/48/590770148.db2.gz ZRYSXGDHQRHIRA-CVEARBPZSA-N 2 2 330.444 1.399 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892045690 590770151 /nfs/dbraw/zinc/77/01/51/590770151.db2.gz ZRYSXGDHQRHIRA-CVEARBPZSA-N 2 2 330.444 1.399 20 0 EDADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000892048001 590771736 /nfs/dbraw/zinc/77/17/36/590771736.db2.gz GFWPYJABJXHKRA-KRWDZBQOSA-N 2 2 334.439 1.823 20 0 EDADLP COCCOc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000892487984 591045785 /nfs/dbraw/zinc/04/57/85/591045785.db2.gz ZTCMEVWTTIALGC-GJZGRUSLSA-N 2 2 326.437 1.894 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000892583991 591080751 /nfs/dbraw/zinc/08/07/51/591080751.db2.gz WHBYTJCOZJGHRE-QAQDUYKDSA-N 2 2 346.475 1.650 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000892611587 591095627 /nfs/dbraw/zinc/09/56/27/591095627.db2.gz PSMOQNBRJHTEDK-MSOLQXFVSA-N 2 2 346.475 1.329 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000892611587 591095630 /nfs/dbraw/zinc/09/56/30/591095630.db2.gz PSMOQNBRJHTEDK-MSOLQXFVSA-N 2 2 346.475 1.329 20 0 EDADLP C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000892640177 591107507 /nfs/dbraw/zinc/10/75/07/591107507.db2.gz KXEUDWXSELXSIP-ZIAGYGMSSA-N 2 2 338.477 1.069 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891536583 591113695 /nfs/dbraw/zinc/11/36/95/591113695.db2.gz VRDRCUPRGZSACZ-LLVKDONJSA-N 2 2 348.476 1.511 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NCc1cn(C)c[nH+]1)[NH+]1CCOCC1 ZINC000891745512 591207854 /nfs/dbraw/zinc/20/78/54/591207854.db2.gz JVSODFXHZWOHEK-MRXNPFEDSA-N 2 2 337.468 1.356 20 0 EDADLP CCC1([NH3+])CCN(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000892918159 591225580 /nfs/dbraw/zinc/22/55/80/591225580.db2.gz SOFQZEHBDOTIEM-UHFFFAOYSA-N 2 2 331.464 1.523 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000892950829 591237344 /nfs/dbraw/zinc/23/73/44/591237344.db2.gz JVYABTPXGGQGDV-UHFFFAOYSA-N 2 2 327.469 1.480 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000893021395 591257253 /nfs/dbraw/zinc/25/72/53/591257253.db2.gz SXYDKCRAZOEWMD-DOTOQJQBSA-N 2 2 341.459 1.812 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000893021395 591257256 /nfs/dbraw/zinc/25/72/56/591257256.db2.gz SXYDKCRAZOEWMD-DOTOQJQBSA-N 2 2 341.459 1.812 20 0 EDADLP O=C(c1ccccc1)N1C[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)N2CC[C@H]1C2 ZINC000894362877 591290092 /nfs/dbraw/zinc/29/00/92/591290092.db2.gz YLPQQUCNKRHXJA-DLBZAZTESA-N 2 2 325.416 1.098 20 0 EDADLP COc1nccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000894459258 591317725 /nfs/dbraw/zinc/31/77/25/591317725.db2.gz GGXWQABUXNLHDC-INIZCTEOSA-N 2 2 336.455 1.830 20 0 EDADLP COc1nccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000894459258 591317729 /nfs/dbraw/zinc/31/77/29/591317729.db2.gz GGXWQABUXNLHDC-INIZCTEOSA-N 2 2 336.455 1.830 20 0 EDADLP CO[C@]1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCSC1 ZINC000896005087 591321615 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EDADLP CN(Cc1ccc2oc(=O)oc2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000894770592 591411115 /nfs/dbraw/zinc/41/11/15/591411115.db2.gz RSEUAGQFHMVCRZ-MRXNPFEDSA-N 2 2 345.443 1.986 20 0 EDADLP CN(Cc1ccc2oc(=O)oc2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000894770592 591411118 /nfs/dbraw/zinc/41/11/18/591411118.db2.gz RSEUAGQFHMVCRZ-MRXNPFEDSA-N 2 2 345.443 1.986 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000894872891 591452154 /nfs/dbraw/zinc/45/21/54/591452154.db2.gz CSLCQESHBJBCTG-AWEZNQCLSA-N 2 2 345.443 1.891 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000894872891 591452157 /nfs/dbraw/zinc/45/21/57/591452157.db2.gz CSLCQESHBJBCTG-AWEZNQCLSA-N 2 2 345.443 1.891 20 0 EDADLP O=C1CC[C@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)CCN1 ZINC000898722042 591489115 /nfs/dbraw/zinc/48/91/15/591489115.db2.gz XMVLVTNPKYUHHK-UWVGGRQHSA-N 2 2 327.226 1.219 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc[nH+]1 ZINC000896524786 591493252 /nfs/dbraw/zinc/49/32/52/591493252.db2.gz HWXNUPGGOBOUKO-ZFWWWQNUSA-N 2 2 335.452 1.325 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)nc[nH+]1 ZINC000896524786 591493254 /nfs/dbraw/zinc/49/32/54/591493254.db2.gz HWXNUPGGOBOUKO-ZFWWWQNUSA-N 2 2 335.452 1.325 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896554792 591519335 /nfs/dbraw/zinc/51/93/35/591519335.db2.gz HUVQKIUXVJDCMB-GUYCJALGSA-N 2 2 329.448 1.095 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896554792 591519337 /nfs/dbraw/zinc/51/93/37/591519337.db2.gz HUVQKIUXVJDCMB-GUYCJALGSA-N 2 2 329.448 1.095 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000896595757 591546225 /nfs/dbraw/zinc/54/62/25/591546225.db2.gz ZNMLODFCKUEDPF-LBPRGKRZSA-N 2 2 325.482 1.346 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc(F)cc1F ZINC000896620839 591555888 /nfs/dbraw/zinc/55/58/88/591555888.db2.gz TTZXJKCRGOSODS-WFASDCNBSA-N 2 2 349.385 1.791 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C)c1ccc(F)cc1F ZINC000896620839 591555891 /nfs/dbraw/zinc/55/58/91/591555891.db2.gz TTZXJKCRGOSODS-WFASDCNBSA-N 2 2 349.385 1.791 20 0 EDADLP C[NH+](C)Cc1cnc(CN2CCc3[nH+]c[nH]c3C23CCOCC3)s1 ZINC000895070367 591564812 /nfs/dbraw/zinc/56/48/12/591564812.db2.gz PXJKDYJGZRZWHL-UHFFFAOYSA-N 2 2 347.488 1.992 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)[nH]n1 ZINC000897587279 591570143 /nfs/dbraw/zinc/57/01/43/591570143.db2.gz MCROUGGHCDQESS-KRWDZBQOSA-N 2 2 331.464 1.781 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)[nH]n1 ZINC000897587279 591570145 /nfs/dbraw/zinc/57/01/45/591570145.db2.gz MCROUGGHCDQESS-KRWDZBQOSA-N 2 2 331.464 1.781 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000897587279 591570148 /nfs/dbraw/zinc/57/01/48/591570148.db2.gz MCROUGGHCDQESS-KRWDZBQOSA-N 2 2 331.464 1.781 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000897587279 591570150 /nfs/dbraw/zinc/57/01/50/591570150.db2.gz MCROUGGHCDQESS-KRWDZBQOSA-N 2 2 331.464 1.781 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000729927874 591584743 /nfs/dbraw/zinc/58/47/43/591584743.db2.gz VQIVJSVOYBJHHL-MRXNPFEDSA-N 2 2 342.867 1.468 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000729927874 591584745 /nfs/dbraw/zinc/58/47/45/591584745.db2.gz VQIVJSVOYBJHHL-MRXNPFEDSA-N 2 2 342.867 1.468 20 0 EDADLP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000896732539 591596432 /nfs/dbraw/zinc/59/64/32/591596432.db2.gz HQESOYCBXXBRDN-HIFRSBDPSA-N 2 2 327.469 1.600 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000727063640 591603752 /nfs/dbraw/zinc/60/37/52/591603752.db2.gz HZVMYAPFINMHGZ-UHFFFAOYSA-N 2 2 335.521 1.666 20 0 EDADLP Cc1nc2ccccn2c1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000898960915 591617384 /nfs/dbraw/zinc/61/73/84/591617384.db2.gz UNKWSAOCBJUBLK-UHFFFAOYSA-N 2 2 346.479 1.325 20 0 EDADLP Cc1nc2ccccn2c1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000898960915 591617387 /nfs/dbraw/zinc/61/73/87/591617387.db2.gz UNKWSAOCBJUBLK-UHFFFAOYSA-N 2 2 346.479 1.325 20 0 EDADLP CC[N@H+](CCC(=O)NC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000897710080 591629259 /nfs/dbraw/zinc/62/92/59/591629259.db2.gz XPTZVUORDCHFMJ-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP CC[N@@H+](CCC(=O)NC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000897710080 591629261 /nfs/dbraw/zinc/62/92/61/591629261.db2.gz XPTZVUORDCHFMJ-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)c1 ZINC000896841896 591629360 /nfs/dbraw/zinc/62/93/60/591629360.db2.gz XQJAYVPBYGSPRG-OAHLLOKOSA-N 2 2 328.420 1.885 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)c1 ZINC000896841896 591629363 /nfs/dbraw/zinc/62/93/63/591629363.db2.gz XQJAYVPBYGSPRG-OAHLLOKOSA-N 2 2 328.420 1.885 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[N@@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)OCCO2 ZINC000895236029 591671910 /nfs/dbraw/zinc/67/19/10/591671910.db2.gz ORWJEMOFRNMAAG-GVDBMIGSSA-N 2 2 342.455 1.807 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[N@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)OCCO2 ZINC000895236029 591671913 /nfs/dbraw/zinc/67/19/13/591671913.db2.gz ORWJEMOFRNMAAG-GVDBMIGSSA-N 2 2 342.455 1.807 20 0 EDADLP C[C@H](CC[NH2+]Cc1c(I)cnn1C)[NH+](C)C ZINC000895290269 591704432 /nfs/dbraw/zinc/70/44/32/591704432.db2.gz FQFMGSWYRMINOP-SECBINFHSA-N 2 2 336.221 1.455 20 0 EDADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000895315281 591709640 /nfs/dbraw/zinc/70/96/40/591709640.db2.gz CKJOVNBNRMINKA-KRWDZBQOSA-N 2 2 333.451 1.947 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163769 591712630 /nfs/dbraw/zinc/71/26/30/591712630.db2.gz JQQIFLHDAJJYNF-ARFHVFGLSA-N 2 2 330.432 1.112 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163769 591712633 /nfs/dbraw/zinc/71/26/33/591712633.db2.gz JQQIFLHDAJJYNF-ARFHVFGLSA-N 2 2 330.432 1.112 20 0 EDADLP Cn1nc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C(F)(F)F ZINC000898021127 591758299 /nfs/dbraw/zinc/75/82/99/591758299.db2.gz VHBVYJPLAPEOFP-ZDUSSCGKSA-N 2 2 332.370 1.782 20 0 EDADLP COC(=O)COc1ccccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000895474322 591770716 /nfs/dbraw/zinc/77/07/16/591770716.db2.gz VYFNWTYHCDYJQP-UHFFFAOYSA-N 2 2 344.415 1.294 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCc2ccccc21 ZINC000895488820 591774718 /nfs/dbraw/zinc/77/47/18/591774718.db2.gz VSDWOYBEZICSJM-SFHVURJKSA-N 2 2 343.471 1.809 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1C[NH+](C2CCOCC2)C1 ZINC000895568055 591808217 /nfs/dbraw/zinc/80/82/17/591808217.db2.gz LXGGIPPGRDBCQL-UHFFFAOYSA-N 2 2 344.459 1.409 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C1 ZINC000898331715 591873907 /nfs/dbraw/zinc/87/39/07/591873907.db2.gz FVPASUUDLPJHLS-DOTOQJQBSA-N 2 2 342.443 1.764 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C1 ZINC000898331715 591873911 /nfs/dbraw/zinc/87/39/11/591873911.db2.gz FVPASUUDLPJHLS-DOTOQJQBSA-N 2 2 342.443 1.764 20 0 EDADLP C/C(=C\C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C[NH+]1CCOCC1 ZINC000900121133 591906614 /nfs/dbraw/zinc/90/66/14/591906614.db2.gz QKZKVDUMHZMTOD-XNTDXEJSSA-N 2 2 341.415 1.162 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000900163852 591923814 /nfs/dbraw/zinc/92/38/14/591923814.db2.gz PXKMFBSFUQWNBV-OAHLLOKOSA-N 2 2 348.447 1.039 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000900163852 591923815 /nfs/dbraw/zinc/92/38/15/591923815.db2.gz PXKMFBSFUQWNBV-OAHLLOKOSA-N 2 2 348.447 1.039 20 0 EDADLP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1=O ZINC000902195659 591942292 /nfs/dbraw/zinc/94/22/92/591942292.db2.gz MYLVLWHFBANHEB-GUYCJALGSA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1=O ZINC000902195659 591942294 /nfs/dbraw/zinc/94/22/94/591942294.db2.gz MYLVLWHFBANHEB-GUYCJALGSA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000902195659 591942296 /nfs/dbraw/zinc/94/22/96/591942296.db2.gz MYLVLWHFBANHEB-GUYCJALGSA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000902195659 591942297 /nfs/dbraw/zinc/94/22/97/591942297.db2.gz MYLVLWHFBANHEB-GUYCJALGSA-N 2 2 347.459 1.325 20 0 EDADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCCOC1CC1 ZINC000902250892 591960209 /nfs/dbraw/zinc/96/02/09/591960209.db2.gz WKZOWVRZIWRPQB-UHFFFAOYSA-N 2 2 346.475 1.872 20 0 EDADLP NC(CC[NH+]1CCN(Cc2ccccc2)CC1)=[NH+]OCCOC1CC1 ZINC000902250892 591960213 /nfs/dbraw/zinc/96/02/13/591960213.db2.gz WKZOWVRZIWRPQB-UHFFFAOYSA-N 2 2 346.475 1.872 20 0 EDADLP C/C(=C/C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900299277 591979451 /nfs/dbraw/zinc/97/94/51/591979451.db2.gz CZJZRNKKKCFHOV-LYDJUCFBSA-N 2 2 345.487 1.554 20 0 EDADLP Cc1ccn2cc(CNC(=O)CCN3CC[NH+](C(C)C)CC3)[nH+]c2c1 ZINC000900323467 591990643 /nfs/dbraw/zinc/99/06/43/591990643.db2.gz VSXXCXWYBJAZBV-UHFFFAOYSA-N 2 2 343.475 1.675 20 0 EDADLP [NH3+]CC1([C@@H]2CCCCN2c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCC1 ZINC000900421587 592014402 /nfs/dbraw/zinc/01/44/02/592014402.db2.gz DTNJQUWZSSXJSC-CVEARBPZSA-N 2 2 345.491 1.926 20 0 EDADLP [NH3+]CC1([C@@H]2CCCCN2c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCC1 ZINC000900421587 592014405 /nfs/dbraw/zinc/01/44/05/592014405.db2.gz DTNJQUWZSSXJSC-CVEARBPZSA-N 2 2 345.491 1.926 20 0 EDADLP C/C(=C/C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000900539653 592051002 /nfs/dbraw/zinc/05/10/02/592051002.db2.gz DRPVQMOUPVHYBL-HGLWPWQMSA-N 2 2 335.492 1.742 20 0 EDADLP CC(C)c1[nH+]ccn1CCNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900680957 592092661 /nfs/dbraw/zinc/09/26/61/592092661.db2.gz RZDKVCMPZUJYDI-UHFFFAOYSA-N 2 2 349.523 1.929 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)CC1 ZINC000900745084 592115856 /nfs/dbraw/zinc/11/58/56/592115856.db2.gz IWDKEKVMZZWZAG-QZTJIDSGSA-N 2 2 336.524 1.488 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)CC1 ZINC000900745084 592115858 /nfs/dbraw/zinc/11/58/58/592115858.db2.gz IWDKEKVMZZWZAG-QZTJIDSGSA-N 2 2 336.524 1.488 20 0 EDADLP CC[C@H]1C[N@H+](CCn2cccn2)CCN1C(=O)CNc1cccc[nH+]1 ZINC000900763955 592127439 /nfs/dbraw/zinc/12/74/39/592127439.db2.gz FTRZNHUIEFIKOI-INIZCTEOSA-N 2 2 342.447 1.313 20 0 EDADLP CC[C@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)CNc1cccc[nH+]1 ZINC000900763955 592127442 /nfs/dbraw/zinc/12/74/42/592127442.db2.gz FTRZNHUIEFIKOI-INIZCTEOSA-N 2 2 342.447 1.313 20 0 EDADLP C1C[C@@H]([NH+]2CCC([NH2+][C@H]3CCCN4CCSC[C@@H]34)CC2)CO1 ZINC000903272978 592149733 /nfs/dbraw/zinc/14/97/33/592149733.db2.gz SCYSDFMWDGYXFD-IKGGRYGDSA-N 2 2 325.522 1.409 20 0 EDADLP CCC[N@H+](CCOCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC[NH2+]C1 ZINC000903422622 592170644 /nfs/dbraw/zinc/17/06/44/592170644.db2.gz GRHPGRYOQULNFA-OAHLLOKOSA-N 2 2 345.443 1.373 20 0 EDADLP CCC[N@@H+](CCOCCN1C(=O)c2ccccc2C1=O)[C@@H]1CC[NH2+]C1 ZINC000903422622 592170647 /nfs/dbraw/zinc/17/06/47/592170647.db2.gz GRHPGRYOQULNFA-OAHLLOKOSA-N 2 2 345.443 1.373 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000903444072 592172837 /nfs/dbraw/zinc/17/28/37/592172837.db2.gz OYDPZWKTWWOEBU-UWWQBHOKSA-N 2 2 337.895 1.847 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000903444072 592172838 /nfs/dbraw/zinc/17/28/38/592172838.db2.gz OYDPZWKTWWOEBU-UWWQBHOKSA-N 2 2 337.895 1.847 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c[nH+]1 ZINC000901074780 592224436 /nfs/dbraw/zinc/22/44/36/592224436.db2.gz CVYNDPQTELHDAP-MRXNPFEDSA-N 2 2 334.464 1.640 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH2+]CCC12CCOCC2 ZINC000904345884 592235477 /nfs/dbraw/zinc/23/54/77/592235477.db2.gz LBJOSIQFLDCYQK-UHFFFAOYSA-N 2 2 329.404 1.711 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661697 592243852 /nfs/dbraw/zinc/24/38/52/592243852.db2.gz SVSSCJVSUXGFRF-IRXDYDNUSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661697 592243857 /nfs/dbraw/zinc/24/38/57/592243857.db2.gz SVSSCJVSUXGFRF-IRXDYDNUSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661697 592243861 /nfs/dbraw/zinc/24/38/61/592243861.db2.gz SVSSCJVSUXGFRF-IRXDYDNUSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661697 592243863 /nfs/dbraw/zinc/24/38/63/592243863.db2.gz SVSSCJVSUXGFRF-IRXDYDNUSA-N 3 2 336.524 1.393 20 0 EDADLP CS(=O)(=O)c1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)s1 ZINC000904393206 592244133 /nfs/dbraw/zinc/24/41/33/592244133.db2.gz NAXJTWBKBRKTFU-LBPRGKRZSA-N 2 2 344.502 1.481 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000904384414 592247506 /nfs/dbraw/zinc/24/75/06/592247506.db2.gz KBQTYALQXRIEKQ-OAHLLOKOSA-N 2 2 347.463 1.880 20 0 EDADLP C/C(=C/C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C[NH+]1CCOCC1 ZINC000901152316 592264180 /nfs/dbraw/zinc/26/41/80/592264180.db2.gz OQKOTLKFBRRPSH-PNDHZVEESA-N 2 2 337.508 1.749 20 0 EDADLP C/C(=C/C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)C[NH+]1CCOCC1 ZINC000901152316 592264182 /nfs/dbraw/zinc/26/41/82/592264182.db2.gz OQKOTLKFBRRPSH-PNDHZVEESA-N 2 2 337.508 1.749 20 0 EDADLP [NH3+][C@H]1CCCn2nc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc21 ZINC000904708391 592313805 /nfs/dbraw/zinc/31/38/05/592313805.db2.gz OIXYODVBNKISHN-SLEUVZQESA-N 2 2 344.419 1.653 20 0 EDADLP [NH3+][C@H]1CCCn2nc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cc21 ZINC000904708391 592313810 /nfs/dbraw/zinc/31/38/10/592313810.db2.gz OIXYODVBNKISHN-SLEUVZQESA-N 2 2 344.419 1.653 20 0 EDADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000903796576 592325243 /nfs/dbraw/zinc/32/52/43/592325243.db2.gz XGTZWOMPMXJZMR-QRVBRYPASA-N 3 2 345.487 1.639 20 0 EDADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000903796576 592325248 /nfs/dbraw/zinc/32/52/48/592325248.db2.gz XGTZWOMPMXJZMR-QRVBRYPASA-N 3 2 345.487 1.639 20 0 EDADLP O=C(N[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1)c1ccc(Cl)cc1 ZINC000903825309 592334308 /nfs/dbraw/zinc/33/43/08/592334308.db2.gz YSGWDQXOMYNIGS-JKSUJKDBSA-N 2 2 337.851 1.523 20 0 EDADLP O=C(N[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1)c1ccc(Cl)cc1 ZINC000903825309 592334311 /nfs/dbraw/zinc/33/43/11/592334311.db2.gz YSGWDQXOMYNIGS-JKSUJKDBSA-N 2 2 337.851 1.523 20 0 EDADLP C[NH+](C)CCOCCNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000901340982 592336015 /nfs/dbraw/zinc/33/60/15/592336015.db2.gz KNFIXEMKNCSTDE-UHFFFAOYSA-N 2 2 328.416 1.555 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3CC[NH2+]CCC34CCOCC4)on2)cn1 ZINC000903818194 592341482 /nfs/dbraw/zinc/34/14/82/592341482.db2.gz AQXRLCQOINQNBB-UHFFFAOYSA-N 2 2 331.420 1.420 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3CC[NH2+]CCC34CCOCC4)on2)cn1 ZINC000903818194 592341485 /nfs/dbraw/zinc/34/14/85/592341485.db2.gz AQXRLCQOINQNBB-UHFFFAOYSA-N 2 2 331.420 1.420 20 0 EDADLP COc1ccc([C@@H](CO)[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903891961 592352244 /nfs/dbraw/zinc/35/22/44/592352244.db2.gz DYZUTDQGBLDBSM-CRAIPNDOSA-N 2 2 345.447 1.377 20 0 EDADLP COc1ccc([C@@H](CO)[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903891961 592352249 /nfs/dbraw/zinc/35/22/49/592352249.db2.gz DYZUTDQGBLDBSM-CRAIPNDOSA-N 2 2 345.447 1.377 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908157583 592352850 /nfs/dbraw/zinc/35/28/50/592352850.db2.gz VNJOCDAEEMNHCH-VLGSPTGOSA-N 2 2 337.508 1.989 20 0 EDADLP CCc1nc(C2([NH2+]C[C@H](C[NH3+])Cc3cnn(C)c3C)CCCC2)no1 ZINC000903898599 592368311 /nfs/dbraw/zinc/36/83/11/592368311.db2.gz MFJOCXLMSLSPBG-AWEZNQCLSA-N 2 2 346.479 1.850 20 0 EDADLP [NH3+][C@H](CC(F)F)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000903933855 592386592 /nfs/dbraw/zinc/38/65/92/592386592.db2.gz XBRDYSFRCMGTIV-MCIONIFRSA-N 2 2 337.370 1.086 20 0 EDADLP [NH3+][C@H](CC(F)F)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000903933855 592386597 /nfs/dbraw/zinc/38/65/97/592386597.db2.gz XBRDYSFRCMGTIV-MCIONIFRSA-N 2 2 337.370 1.086 20 0 EDADLP CCOC(=O)[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CCOCC1 ZINC000903917545 592391202 /nfs/dbraw/zinc/39/12/02/592391202.db2.gz ZPBTUIWBSUFSJW-GOSISDBHSA-N 2 2 332.444 1.780 20 0 EDADLP c1cc(-c2nc(CC3CC[NH2+]CC3)no2)oc1C[NH+]1CCOCC1 ZINC000904073458 592420709 /nfs/dbraw/zinc/42/07/09/592420709.db2.gz PGOCLKYASKSOST-UHFFFAOYSA-N 2 2 332.404 1.704 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000906941558 592421099 /nfs/dbraw/zinc/42/10/99/592421099.db2.gz NSZMJHFKAIUPGG-JKSUJKDBSA-N 2 2 346.475 1.175 20 0 EDADLP CC[NH+]1CCN(c2ccc(-c3noc([C@H]([NH3+])CCOC)n3)cn2)CC1 ZINC000904104348 592427079 /nfs/dbraw/zinc/42/70/79/592427079.db2.gz OXKDJJUCCKOOCS-CQSZACIVSA-N 2 2 346.435 1.310 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901727378 592445538 /nfs/dbraw/zinc/44/55/38/592445538.db2.gz FTNWNBDNGSQBHB-WDEREUQCSA-N 2 2 343.269 1.711 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)nc1 ZINC000904307904 592473684 /nfs/dbraw/zinc/47/36/84/592473684.db2.gz YRCNNHRXQGDYKD-LJQANCHMSA-N 2 2 346.475 1.770 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CCC1 ZINC000905274458 592489560 /nfs/dbraw/zinc/48/95/60/592489560.db2.gz SNCXUZPZIGKGHA-QUCCMNQESA-N 2 2 348.487 1.533 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CCC1 ZINC000905274458 592489564 /nfs/dbraw/zinc/48/95/64/592489564.db2.gz SNCXUZPZIGKGHA-QUCCMNQESA-N 2 2 348.487 1.533 20 0 EDADLP O=S(=O)(CC1CC[NH2+]CC1)NCC[N@@H+]1CCc2sccc2C1 ZINC000905335185 592509341 /nfs/dbraw/zinc/50/93/41/592509341.db2.gz XKAAOEDFFFAMBO-UHFFFAOYSA-N 2 2 343.518 1.025 20 0 EDADLP O=S(=O)(CC1CC[NH2+]CC1)NCC[N@H+]1CCc2sccc2C1 ZINC000905335185 592509343 /nfs/dbraw/zinc/50/93/43/592509343.db2.gz XKAAOEDFFFAMBO-UHFFFAOYSA-N 2 2 343.518 1.025 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2coc(C[NH+]3CC[C@H](OC)C3)n2)C[C@@H]1C ZINC000907125783 592521908 /nfs/dbraw/zinc/52/19/08/592521908.db2.gz ZYAYNLGUSXKRFD-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2coc(C[NH+]3CC[C@H](OC)C3)n2)C[C@@H]1C ZINC000907125783 592521912 /nfs/dbraw/zinc/52/19/12/592521912.db2.gz ZYAYNLGUSXKRFD-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[NH+]1CCN(C(=O)c2coc(C[N@@H+]3CC[C@H](OC)C3)n2)C[C@@H]1C ZINC000907125783 592521914 /nfs/dbraw/zinc/52/19/14/592521914.db2.gz ZYAYNLGUSXKRFD-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[NH+]1CCN(C(=O)c2coc(C[N@H+]3CC[C@H](OC)C3)n2)C[C@@H]1C ZINC000907125783 592521918 /nfs/dbraw/zinc/52/19/18/592521918.db2.gz ZYAYNLGUSXKRFD-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CCO[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000905580287 592579799 /nfs/dbraw/zinc/57/97/99/592579799.db2.gz NDWDLSCWKWHAJA-RTBURBONSA-N 3 2 335.492 1.180 20 0 EDADLP CCO[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000905580287 592579801 /nfs/dbraw/zinc/57/98/01/592579801.db2.gz NDWDLSCWKWHAJA-RTBURBONSA-N 3 2 335.492 1.180 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@H]3C[NH2+]CCC3(F)F)[nH+]cn2)C1 ZINC000905675177 592608061 /nfs/dbraw/zinc/60/80/61/592608061.db2.gz BAEKYUXXVLAHKV-YNEHKIRRSA-N 2 2 341.406 1.340 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@H]3C[NH2+]CCC3(F)F)nc[nH+]2)C1 ZINC000905675177 592608062 /nfs/dbraw/zinc/60/80/62/592608062.db2.gz BAEKYUXXVLAHKV-YNEHKIRRSA-N 2 2 341.406 1.340 20 0 EDADLP [NH3+][C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@H]1C(F)(F)F ZINC000905709944 592619649 /nfs/dbraw/zinc/61/96/49/592619649.db2.gz CRCMRVJXURRMHK-QJPTWQEYSA-N 2 2 345.369 1.154 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C[C@H](O)CCC2(O)CCC2)nc[nH+]1 ZINC000905936071 592688483 /nfs/dbraw/zinc/68/84/83/592688483.db2.gz WTMCFRCSYSEZJD-LSDHHAIUSA-N 2 2 349.479 1.133 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)c1ccc(NCCn3cc[nH+]c3)cc1)C2 ZINC000907762515 592781757 /nfs/dbraw/zinc/78/17/57/592781757.db2.gz DTPWEKBRVVAKTE-UHFFFAOYSA-N 2 2 339.443 1.773 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907937615 592849697 /nfs/dbraw/zinc/84/96/97/592849697.db2.gz FTTSVMKTRVIGEC-QAPCUYQASA-N 2 2 334.464 1.803 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000910864170 592898036 /nfs/dbraw/zinc/89/80/36/592898036.db2.gz ZQFTZFVGHQVMIC-KRWDZBQOSA-N 2 2 348.491 1.387 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000910864170 592898037 /nfs/dbraw/zinc/89/80/37/592898037.db2.gz ZQFTZFVGHQVMIC-KRWDZBQOSA-N 2 2 348.491 1.387 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[C@H](C[NH3+])C1 ZINC000911880094 593029788 /nfs/dbraw/zinc/02/97/88/593029788.db2.gz QWMJQKJIBHFKBA-VHDGCEQUSA-N 2 2 339.386 1.493 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[C@H](C[NH3+])C1 ZINC000911880094 593029789 /nfs/dbraw/zinc/02/97/89/593029789.db2.gz QWMJQKJIBHFKBA-VHDGCEQUSA-N 2 2 339.386 1.493 20 0 EDADLP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000912045897 593056328 /nfs/dbraw/zinc/05/63/28/593056328.db2.gz BOJCSOAWBBKDSC-OAGGEKHMSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000912045897 593056329 /nfs/dbraw/zinc/05/63/29/593056329.db2.gz BOJCSOAWBBKDSC-OAGGEKHMSA-N 2 2 325.497 1.865 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1C[NH2+]CCN1C)c1ccc(Cl)cc1 ZINC000912135991 593064937 /nfs/dbraw/zinc/06/49/37/593064937.db2.gz OUFHXZHLBJWTIP-CABCVRRESA-N 2 2 347.850 1.183 20 0 EDADLP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C1CC1 ZINC000838808239 593218182 /nfs/dbraw/zinc/21/81/82/593218182.db2.gz AGYILSMHAZBXRB-MJGOQNOKSA-N 2 2 344.503 1.687 20 0 EDADLP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C1CC1 ZINC000838808239 593218183 /nfs/dbraw/zinc/21/81/83/593218183.db2.gz AGYILSMHAZBXRB-MJGOQNOKSA-N 2 2 344.503 1.687 20 0 EDADLP CC(C)[C@H]1N(C[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)[C@]12CCCO2 ZINC000839952498 593219398 /nfs/dbraw/zinc/21/93/98/593219398.db2.gz GZUSNPPWXPHVBO-MJGOQNOKSA-N 2 2 344.459 1.577 20 0 EDADLP CCn1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000839005777 593250832 /nfs/dbraw/zinc/25/08/32/593250832.db2.gz ACCAKKIQBQGKPV-SFHVURJKSA-N 2 2 329.448 1.545 20 0 EDADLP CCn1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000839005777 593250835 /nfs/dbraw/zinc/25/08/35/593250835.db2.gz ACCAKKIQBQGKPV-SFHVURJKSA-N 2 2 329.448 1.545 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C(=O)[C@]12CCCO2 ZINC000840005888 593341758 /nfs/dbraw/zinc/34/17/58/593341758.db2.gz YXEXJXPYQISBFA-RYRKJORJSA-N 2 2 332.448 1.894 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C(=O)[C@]12CCCO2 ZINC000840005888 593341759 /nfs/dbraw/zinc/34/17/59/593341759.db2.gz YXEXJXPYQISBFA-RYRKJORJSA-N 2 2 332.448 1.894 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000809623720 593350479 /nfs/dbraw/zinc/35/04/79/593350479.db2.gz ALUJUYRYXGOHIF-YOEHRIQHSA-N 2 2 327.432 1.840 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000809961195 593373374 /nfs/dbraw/zinc/37/33/74/593373374.db2.gz OZYOAKNBFFBYLY-PBHICJAKSA-N 2 2 329.485 1.725 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000809961195 593373377 /nfs/dbraw/zinc/37/33/77/593373377.db2.gz OZYOAKNBFFBYLY-PBHICJAKSA-N 2 2 329.485 1.725 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000758236732 593397522 /nfs/dbraw/zinc/39/75/22/593397522.db2.gz FVFVFPSIUBNWBA-JCKWVBRZSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000758236732 593397524 /nfs/dbraw/zinc/39/75/24/593397524.db2.gz FVFVFPSIUBNWBA-JCKWVBRZSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000758236732 593397525 /nfs/dbraw/zinc/39/75/25/593397525.db2.gz FVFVFPSIUBNWBA-JCKWVBRZSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000758236732 593397527 /nfs/dbraw/zinc/39/75/27/593397527.db2.gz FVFVFPSIUBNWBA-JCKWVBRZSA-N 2 2 334.464 1.471 20 0 EDADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000810435828 593401704 /nfs/dbraw/zinc/40/17/04/593401704.db2.gz HSFUGGDMNNXDIH-QGZVFWFLSA-N 2 2 334.464 1.230 20 0 EDADLP CC1(C)C(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)[C@@H]1[C@@H]1CCCO1 ZINC000811749368 593478622 /nfs/dbraw/zinc/47/86/22/593478622.db2.gz IEPLRMGKTBNYOJ-HRCADAONSA-N 2 2 332.448 1.894 20 0 EDADLP CC1(C)C(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)[C@@H]1[C@@H]1CCCO1 ZINC000811749368 593478623 /nfs/dbraw/zinc/47/86/23/593478623.db2.gz IEPLRMGKTBNYOJ-HRCADAONSA-N 2 2 332.448 1.894 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CC1 ZINC000812333081 593497650 /nfs/dbraw/zinc/49/76/50/593497650.db2.gz MDEQNRJTXGXMEZ-SJORKVTESA-N 2 2 345.491 1.042 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CC1 ZINC000812333081 593497651 /nfs/dbraw/zinc/49/76/51/593497651.db2.gz MDEQNRJTXGXMEZ-SJORKVTESA-N 2 2 345.491 1.042 20 0 EDADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCCNC1=O ZINC000817274269 593586943 /nfs/dbraw/zinc/58/69/43/593586943.db2.gz ICONABZNVHLGQL-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCCCNC1=O ZINC000817274269 593586945 /nfs/dbraw/zinc/58/69/45/593586945.db2.gz ICONABZNVHLGQL-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP Cn1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1Cl ZINC000815113644 593615992 /nfs/dbraw/zinc/61/59/92/593615992.db2.gz BNFKSXOHWQELOP-UHFFFAOYSA-N 2 2 334.855 1.510 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000817766263 593629502 /nfs/dbraw/zinc/62/95/02/593629502.db2.gz BZQPDFYKKIKHLB-OAHLLOKOSA-N 2 2 332.448 1.305 20 0 EDADLP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000817895313 593646463 /nfs/dbraw/zinc/64/64/63/593646463.db2.gz SPMUAWVXTXALEE-QYZOEREBSA-N 2 2 334.460 1.864 20 0 EDADLP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000819045932 593735308 /nfs/dbraw/zinc/73/53/08/593735308.db2.gz LAOCSBYEXNMXGA-KRWDZBQOSA-N 2 2 337.439 1.310 20 0 EDADLP Cc1cc(C)c(N2CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2=O)c(C)c1 ZINC000819257628 593746904 /nfs/dbraw/zinc/74/69/04/593746904.db2.gz FNNJVBWHCMRPKK-ZWKOTPCHSA-N 2 2 345.487 1.762 20 0 EDADLP Cc1cc(C)c(N2CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2=O)c(C)c1 ZINC000819257628 593746905 /nfs/dbraw/zinc/74/69/05/593746905.db2.gz FNNJVBWHCMRPKK-ZWKOTPCHSA-N 2 2 345.487 1.762 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000820657788 593854606 /nfs/dbraw/zinc/85/46/06/593854606.db2.gz MWIFQLBCKAIQOO-UHOFOFEASA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000820657788 593854609 /nfs/dbraw/zinc/85/46/09/593854609.db2.gz MWIFQLBCKAIQOO-UHOFOFEASA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000820657788 593854613 /nfs/dbraw/zinc/85/46/13/593854613.db2.gz MWIFQLBCKAIQOO-UHOFOFEASA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000820657788 593854616 /nfs/dbraw/zinc/85/46/16/593854616.db2.gz MWIFQLBCKAIQOO-UHOFOFEASA-N 2 2 330.436 1.315 20 0 EDADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822159283 594001582 /nfs/dbraw/zinc/00/15/82/594001582.db2.gz MSKBGRQJNDFHNO-HNNXBMFYSA-N 2 2 335.448 1.404 20 0 EDADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822159283 594001585 /nfs/dbraw/zinc/00/15/85/594001585.db2.gz MSKBGRQJNDFHNO-HNNXBMFYSA-N 2 2 335.448 1.404 20 0 EDADLP COc1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1F ZINC000822667368 594082294 /nfs/dbraw/zinc/08/22/94/594082294.db2.gz UPBDRLZVZAOUCL-UHFFFAOYSA-N 2 2 326.416 1.839 20 0 EDADLP COc1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1F ZINC000822667368 594082296 /nfs/dbraw/zinc/08/22/96/594082296.db2.gz UPBDRLZVZAOUCL-UHFFFAOYSA-N 2 2 326.416 1.839 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000825174360 594142128 /nfs/dbraw/zinc/14/21/28/594142128.db2.gz MLOCGAGSPLZPSU-RDJZCZTQSA-N 2 2 333.501 1.905 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000825174360 594142129 /nfs/dbraw/zinc/14/21/29/594142129.db2.gz MLOCGAGSPLZPSU-RDJZCZTQSA-N 2 2 333.501 1.905 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)COC2CC[NH+](C)CC2)c1 ZINC000825469765 594190222 /nfs/dbraw/zinc/19/02/22/594190222.db2.gz MIWNFTQDFLECFX-UHFFFAOYSA-N 2 2 343.431 1.757 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccc2occc21 ZINC000827532382 594225844 /nfs/dbraw/zinc/22/58/44/594225844.db2.gz LBBXEDFYUHKGFH-UHFFFAOYSA-N 2 2 330.432 1.926 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccc2occc21 ZINC000827532382 594225846 /nfs/dbraw/zinc/22/58/46/594225846.db2.gz LBBXEDFYUHKGFH-UHFFFAOYSA-N 2 2 330.432 1.926 20 0 EDADLP COC(=O)/C=C/c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000827549187 594230196 /nfs/dbraw/zinc/23/01/96/594230196.db2.gz DBPHQIYBBOMMLG-RGDDUWESSA-N 2 2 334.416 1.809 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(C3OCCO3)cc2)CC1 ZINC000829672186 594237863 /nfs/dbraw/zinc/23/78/63/594237863.db2.gz BEXYRLZEZRLTEG-UHFFFAOYSA-N 2 2 347.459 1.488 20 0 EDADLP O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000826024175 594309130 /nfs/dbraw/zinc/30/91/30/594309130.db2.gz UQZOENWTFPBBAW-AWEZNQCLSA-N 2 2 327.388 1.541 20 0 EDADLP O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000826024175 594309132 /nfs/dbraw/zinc/30/91/32/594309132.db2.gz UQZOENWTFPBBAW-AWEZNQCLSA-N 2 2 327.388 1.541 20 0 EDADLP O=C(N1C[C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C[C@H]2C1)C(F)(F)F ZINC000826064049 594322570 /nfs/dbraw/zinc/32/25/70/594322570.db2.gz CQVPIOKLLJBXRN-RYUDHWBXSA-N 2 2 342.365 1.672 20 0 EDADLP O=C(N1C[C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C[C@H]2C1)C(F)(F)F ZINC000826064049 594322571 /nfs/dbraw/zinc/32/25/71/594322571.db2.gz CQVPIOKLLJBXRN-RYUDHWBXSA-N 2 2 342.365 1.672 20 0 EDADLP Cc1[nH+]cc(C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)n1C ZINC000826131693 594340913 /nfs/dbraw/zinc/34/09/13/594340913.db2.gz XLCOLWJKZBYJDZ-UHFFFAOYSA-N 2 2 338.452 1.580 20 0 EDADLP COc1cc(=O)[nH]cc1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000828140473 594350081 /nfs/dbraw/zinc/35/00/81/594350081.db2.gz AFDOIFRFCDNTKI-UHFFFAOYSA-N 2 2 343.387 1.195 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000826169077 594359559 /nfs/dbraw/zinc/35/95/59/594359559.db2.gz HNRBKGPCPWDOAJ-UHFFFAOYSA-N 2 2 342.447 1.936 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000826169077 594359560 /nfs/dbraw/zinc/35/95/60/594359560.db2.gz HNRBKGPCPWDOAJ-UHFFFAOYSA-N 2 2 342.447 1.936 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000826183210 594366955 /nfs/dbraw/zinc/36/69/55/594366955.db2.gz ICFRJVXWHMMKNK-HNNXBMFYSA-N 2 2 339.403 1.909 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000826183210 594366957 /nfs/dbraw/zinc/36/69/57/594366957.db2.gz ICFRJVXWHMMKNK-HNNXBMFYSA-N 2 2 339.403 1.909 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC000826565754 594528270 /nfs/dbraw/zinc/52/82/70/594528270.db2.gz YFJSGCIQHUSHQC-GOSISDBHSA-N 2 2 331.460 1.408 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)c1 ZINC000826565754 594528272 /nfs/dbraw/zinc/52/82/72/594528272.db2.gz YFJSGCIQHUSHQC-GOSISDBHSA-N 2 2 331.460 1.408 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(N)cc3Cl)C2)CC1 ZINC000829484025 594623866 /nfs/dbraw/zinc/62/38/66/594623866.db2.gz PFYLHYBYZBPCDR-CYBMUJFWSA-N 2 2 336.867 1.821 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(N)cc3Cl)C2)CC1 ZINC000829484025 594623867 /nfs/dbraw/zinc/62/38/67/594623867.db2.gz PFYLHYBYZBPCDR-CYBMUJFWSA-N 2 2 336.867 1.821 20 0 EDADLP Cc1cc([C@@H]([NH3+])CC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc(Cl)n1 ZINC000827080785 594636116 /nfs/dbraw/zinc/63/61/16/594636116.db2.gz MINKJXKVSZOMAC-JSGCOSHPSA-N 2 2 340.855 1.270 20 0 EDADLP CN(CCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1)c1cc[nH+]cc1 ZINC000827445468 594672765 /nfs/dbraw/zinc/67/27/65/594672765.db2.gz QEHMOVBPRGAMLN-UHFFFAOYSA-N 2 2 345.491 1.146 20 0 EDADLP CN1CC[NH+](C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC000827449620 594673271 /nfs/dbraw/zinc/67/32/71/594673271.db2.gz HTTYMPWVJKUAEJ-UHFFFAOYSA-N 2 2 327.432 1.186 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000827450650 594673536 /nfs/dbraw/zinc/67/35/36/594673536.db2.gz WEUKLCFDAKKFEW-IBGZPJMESA-N 2 2 348.535 1.632 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000827450650 594673537 /nfs/dbraw/zinc/67/35/37/594673537.db2.gz WEUKLCFDAKKFEW-IBGZPJMESA-N 2 2 348.535 1.632 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)n1C ZINC000840905766 594826413 /nfs/dbraw/zinc/82/64/13/594826413.db2.gz SEZXUENXKLFAGW-AWEZNQCLSA-N 2 2 349.385 1.659 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)nn1 ZINC000841099351 594850803 /nfs/dbraw/zinc/85/08/03/594850803.db2.gz IPGIUUIKDXXCSH-QGZVFWFLSA-N 2 2 338.419 1.155 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)nn1 ZINC000841099351 594850806 /nfs/dbraw/zinc/85/08/06/594850806.db2.gz IPGIUUIKDXXCSH-QGZVFWFLSA-N 2 2 338.419 1.155 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2)CCO1 ZINC000841122963 594854713 /nfs/dbraw/zinc/85/47/13/594854713.db2.gz WGLOUFBQTOMDDZ-PBHICJAKSA-N 2 2 347.463 1.018 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)C[C@H]21 ZINC000841672624 594933662 /nfs/dbraw/zinc/93/36/62/594933662.db2.gz KYTHDDPLBKUATB-BZUAXINKSA-N 2 2 340.431 1.536 20 0 EDADLP C[C@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC[NH2+]1 ZINC000841838266 594961829 /nfs/dbraw/zinc/96/18/29/594961829.db2.gz UXCWWTQKWVJJNB-HNNXBMFYSA-N 2 2 345.491 1.725 20 0 EDADLP C[C@H]1CN(C(=O)NC2CCN(c3ccc([NH+](C)C)cc3)CC2)CC[NH2+]1 ZINC000841838266 594961832 /nfs/dbraw/zinc/96/18/32/594961832.db2.gz UXCWWTQKWVJJNB-HNNXBMFYSA-N 2 2 345.491 1.725 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841838283 594961899 /nfs/dbraw/zinc/96/18/99/594961899.db2.gz VSVXIKKTHJRNRD-AWEZNQCLSA-N 2 2 333.480 1.758 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841838283 594961901 /nfs/dbraw/zinc/96/19/01/594961901.db2.gz VSVXIKKTHJRNRD-AWEZNQCLSA-N 2 2 333.480 1.758 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000841986673 594995829 /nfs/dbraw/zinc/99/58/29/594995829.db2.gz FIIBPEJPIINUNQ-CHWSQXEVSA-N 2 2 339.509 1.193 20 0 EDADLP CN(C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C1CCC([NH3+])CC1 ZINC000842203514 595037747 /nfs/dbraw/zinc/03/77/47/595037747.db2.gz UANMQMIJJJWGLO-VMBOVVBDSA-N 2 2 344.459 1.018 20 0 EDADLP CN(C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C1CCC([NH3+])CC1 ZINC000842203514 595037749 /nfs/dbraw/zinc/03/77/49/595037749.db2.gz UANMQMIJJJWGLO-VMBOVVBDSA-N 2 2 344.459 1.018 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843347067 595082202 /nfs/dbraw/zinc/08/22/02/595082202.db2.gz SJRIRBMSNABATI-VXGBXAGGSA-N 2 2 331.420 1.527 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843347067 595082206 /nfs/dbraw/zinc/08/22/06/595082206.db2.gz SJRIRBMSNABATI-VXGBXAGGSA-N 2 2 331.420 1.527 20 0 EDADLP CCOC(=O)C1=C(C[N@H+](C)CCC[NH3+])NC(=O)N[C@@H]1c1ccccc1 ZINC000843351237 595083603 /nfs/dbraw/zinc/08/36/03/595083603.db2.gz MSEROGCUGWYBFQ-MRXNPFEDSA-N 2 2 346.431 1.138 20 0 EDADLP CCOC(=O)C1=C(C[N@@H+](C)CCC[NH3+])NC(=O)N[C@@H]1c1ccccc1 ZINC000843351237 595083607 /nfs/dbraw/zinc/08/36/07/595083607.db2.gz MSEROGCUGWYBFQ-MRXNPFEDSA-N 2 2 346.431 1.138 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000843356231 595085940 /nfs/dbraw/zinc/08/59/40/595085940.db2.gz IPQIOSCIFGSYPJ-LJQANCHMSA-N 2 2 348.491 1.974 20 0 EDADLP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000105121116 595092395 /nfs/dbraw/zinc/09/23/95/595092395.db2.gz GHPLKLSYQOORRL-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP CC[N@H+]1CCC[C@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000105121116 595092400 /nfs/dbraw/zinc/09/24/00/595092400.db2.gz GHPLKLSYQOORRL-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP CC[C@H]1C[N@H+](Cc2c(C)nn(CCS(C)(=O)=O)c2C)CC[C@@H]1[NH3+] ZINC000843377104 595093688 /nfs/dbraw/zinc/09/36/88/595093688.db2.gz JPXQMAFETJUAEZ-HOCLYGCPSA-N 2 2 342.509 1.104 20 0 EDADLP CC[C@H]1C[N@@H+](Cc2c(C)nn(CCS(C)(=O)=O)c2C)CC[C@@H]1[NH3+] ZINC000843377104 595093691 /nfs/dbraw/zinc/09/36/91/595093691.db2.gz JPXQMAFETJUAEZ-HOCLYGCPSA-N 2 2 342.509 1.104 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842478583 595115765 /nfs/dbraw/zinc/11/57/65/595115765.db2.gz KXNNJFBRVGTTKN-UTUOFQBUSA-N 2 2 331.420 1.512 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842478583 595115767 /nfs/dbraw/zinc/11/57/67/595115767.db2.gz KXNNJFBRVGTTKN-UTUOFQBUSA-N 2 2 331.420 1.512 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC000846124284 595149768 /nfs/dbraw/zinc/14/97/68/595149768.db2.gz NZWASORFSAPRFQ-MRXNPFEDSA-N 2 2 348.491 1.423 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867233647 595162733 /nfs/dbraw/zinc/16/27/33/595162733.db2.gz WSZNTUVYBZFFDZ-RCMYXZNBSA-N 2 2 331.460 1.512 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867233647 595162735 /nfs/dbraw/zinc/16/27/35/595162735.db2.gz WSZNTUVYBZFFDZ-RCMYXZNBSA-N 2 2 331.460 1.512 20 0 EDADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H]1CC[NH3+] ZINC000846226368 595178947 /nfs/dbraw/zinc/17/89/47/595178947.db2.gz LMCVETCRNMSFDS-ABAIWWIYSA-N 2 2 331.420 1.656 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H]1CC[NH3+] ZINC000846226368 595178951 /nfs/dbraw/zinc/17/89/51/595178951.db2.gz LMCVETCRNMSFDS-ABAIWWIYSA-N 2 2 331.420 1.656 20 0 EDADLP Cc1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000867304482 595204255 /nfs/dbraw/zinc/20/42/55/595204255.db2.gz DIZXMNZYKSPFCT-PLNGDYQASA-N 2 2 344.459 1.495 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CCCCCC[NH3+])CC1 ZINC000844168610 595289753 /nfs/dbraw/zinc/28/97/53/595289753.db2.gz KZAASIGGEMIEFO-UHFFFAOYSA-N 2 2 346.475 1.922 20 0 EDADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000846670412 595297105 /nfs/dbraw/zinc/29/71/05/595297105.db2.gz ZMENGQACRAIPKN-WFASDCNBSA-N 2 2 334.420 1.099 20 0 EDADLP Cc1c(-c2nc(Cc3ccc(C)[nH+]c3)no2)nnn1C1CC[NH2+]CC1 ZINC000843182777 595300756 /nfs/dbraw/zinc/30/07/56/595300756.db2.gz GXOSHKBAHGGKSU-UHFFFAOYSA-N 2 2 339.403 1.855 20 0 EDADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000846911664 595336635 /nfs/dbraw/zinc/33/66/35/595336635.db2.gz TUTPWCVHMPCMPC-LBPRGKRZSA-N 2 2 332.370 1.743 20 0 EDADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000846911664 595336636 /nfs/dbraw/zinc/33/66/36/595336636.db2.gz TUTPWCVHMPCMPC-LBPRGKRZSA-N 2 2 332.370 1.743 20 0 EDADLP Cn1c(Cl)ncc1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000848524638 595402621 /nfs/dbraw/zinc/40/26/21/595402621.db2.gz JVECSHPZXIHTFI-UHFFFAOYSA-N 2 2 349.870 1.165 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848679302 595427445 /nfs/dbraw/zinc/42/74/45/595427445.db2.gz UGSZHUGAZIHMDK-IAGOWNOFSA-N 2 2 333.432 1.052 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848679302 595427446 /nfs/dbraw/zinc/42/74/46/595427446.db2.gz UGSZHUGAZIHMDK-IAGOWNOFSA-N 2 2 333.432 1.052 20 0 EDADLP COc1ccc(OC)c(NC(=[NH2+])NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000849115158 595484356 /nfs/dbraw/zinc/48/43/56/595484356.db2.gz HUIGPZBKIWLBGQ-OKILXGFUSA-N 2 2 334.420 1.503 20 0 EDADLP COc1ccc(OC)c(NC(=[NH2+])NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000849115158 595484358 /nfs/dbraw/zinc/48/43/58/595484358.db2.gz HUIGPZBKIWLBGQ-OKILXGFUSA-N 2 2 334.420 1.503 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@](C)(CCF)C3=O)CC2)CC1 ZINC000849354094 595510386 /nfs/dbraw/zinc/51/03/86/595510386.db2.gz LXEWLEIPUFRLHR-QGZVFWFLSA-N 2 2 340.443 1.215 20 0 EDADLP Cn1c(Cl)cnc1-c1csc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000852845168 595571855 /nfs/dbraw/zinc/57/18/55/595571855.db2.gz RSLOIULTDQGASR-QMMMGPOBSA-N 2 2 342.856 1.415 20 0 EDADLP C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000857861002 595635128 /nfs/dbraw/zinc/63/51/28/595635128.db2.gz OXYUMGFCHGURPP-BBRMVZONSA-N 2 2 333.480 1.218 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000857986233 595677892 /nfs/dbraw/zinc/67/78/92/595677892.db2.gz VDDZURYSDIAZFM-HOTGVXAUSA-N 2 2 325.416 1.751 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000857986233 595677893 /nfs/dbraw/zinc/67/78/93/595677893.db2.gz VDDZURYSDIAZFM-HOTGVXAUSA-N 2 2 325.416 1.751 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1NC(=O)C1CC1 ZINC000855415187 595704767 /nfs/dbraw/zinc/70/47/67/595704767.db2.gz TWEOGGDFBGGQEB-UHFFFAOYSA-N 2 2 346.475 1.648 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1NC(=O)C1CC1 ZINC000855415187 595704771 /nfs/dbraw/zinc/70/47/71/595704771.db2.gz TWEOGGDFBGGQEB-UHFFFAOYSA-N 2 2 346.475 1.648 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(=O)c2ccccc2o1 ZINC000855416632 595705694 /nfs/dbraw/zinc/70/56/94/595705694.db2.gz PSQNTZUIDRKBMC-UHFFFAOYSA-N 2 2 331.416 1.406 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(=O)c2ccccc2o1 ZINC000855416632 595705695 /nfs/dbraw/zinc/70/56/95/595705695.db2.gz PSQNTZUIDRKBMC-UHFFFAOYSA-N 2 2 331.416 1.406 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858248415 595742864 /nfs/dbraw/zinc/74/28/64/595742864.db2.gz SPOCUSOMYCNSTR-KGLIPLIRSA-N 2 2 327.469 1.600 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858248415 595742867 /nfs/dbraw/zinc/74/28/67/595742867.db2.gz SPOCUSOMYCNSTR-KGLIPLIRSA-N 2 2 327.469 1.600 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000853590577 595818992 /nfs/dbraw/zinc/81/89/92/595818992.db2.gz TZXYVFROJUSKSI-HNNXBMFYSA-N 2 2 342.447 1.939 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000853590577 595818994 /nfs/dbraw/zinc/81/89/94/595818994.db2.gz TZXYVFROJUSKSI-HNNXBMFYSA-N 2 2 342.447 1.939 20 0 EDADLP O=S(=O)(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000850364060 595819987 /nfs/dbraw/zinc/81/99/87/595819987.db2.gz QPLGFLDWUIGAPY-UHFFFAOYSA-N 2 2 347.362 1.939 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)Cn1c[nH+]cc1C ZINC000858760153 595883263 /nfs/dbraw/zinc/88/32/63/595883263.db2.gz KLUATTITRWTKHB-UHFFFAOYSA-N 2 2 336.480 1.933 20 0 EDADLP O=C(C1CC[NH+](C2CC2)CC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000856072568 595887943 /nfs/dbraw/zinc/88/79/43/595887943.db2.gz RYRIPYWOSOZTGU-UHFFFAOYSA-N 2 2 335.492 1.432 20 0 EDADLP C[N@H+](CCN1CC[NH+](CCOC(F)F)CC1)Cc1ccccc1 ZINC000851763980 595914149 /nfs/dbraw/zinc/91/41/49/595914149.db2.gz GXIHHWTYQMQAQQ-UHFFFAOYSA-N 2 2 327.419 1.975 20 0 EDADLP C[N@@H+](CCN1CC[NH+](CCOC(F)F)CC1)Cc1ccccc1 ZINC000851763980 595914150 /nfs/dbraw/zinc/91/41/50/595914150.db2.gz GXIHHWTYQMQAQQ-UHFFFAOYSA-N 2 2 327.419 1.975 20 0 EDADLP C[C@H]1CC[N@H+](CCn2cnc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000851859033 595951052 /nfs/dbraw/zinc/95/10/52/595951052.db2.gz XVMNCEYIIBENID-NWDGAFQWSA-N 2 2 339.241 1.820 20 0 EDADLP C[C@H]1CC[N@@H+](CCn2cnc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000851859033 595951055 /nfs/dbraw/zinc/95/10/55/595951055.db2.gz XVMNCEYIIBENID-NWDGAFQWSA-N 2 2 339.241 1.820 20 0 EDADLP COC(=O)c1nc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)ccc1Cl ZINC000854221141 596006834 /nfs/dbraw/zinc/00/68/34/596006834.db2.gz HCDDZPCULRLZHY-PWSUYJOCSA-N 2 2 327.812 1.378 20 0 EDADLP CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584298 596020571 /nfs/dbraw/zinc/02/05/71/596020571.db2.gz GZEUNIYUYAOYHR-SJORKVTESA-N 2 2 335.448 1.938 20 0 EDADLP CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584298 596020575 /nfs/dbraw/zinc/02/05/75/596020575.db2.gz GZEUNIYUYAOYHR-SJORKVTESA-N 2 2 335.448 1.938 20 0 EDADLP CC[C@@H](C(=O)OC)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856584298 596020579 /nfs/dbraw/zinc/02/05/79/596020579.db2.gz GZEUNIYUYAOYHR-SJORKVTESA-N 2 2 335.448 1.938 20 0 EDADLP CC[C@@H](C(=O)OC)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856584298 596020581 /nfs/dbraw/zinc/02/05/81/596020581.db2.gz GZEUNIYUYAOYHR-SJORKVTESA-N 2 2 335.448 1.938 20 0 EDADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000861576940 596033939 /nfs/dbraw/zinc/03/39/39/596033939.db2.gz XIZXIXJWZUQBBW-CHWSQXEVSA-N 2 2 340.418 1.918 20 0 EDADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000861576940 596033941 /nfs/dbraw/zinc/03/39/41/596033941.db2.gz XIZXIXJWZUQBBW-CHWSQXEVSA-N 2 2 340.418 1.918 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC000856625290 596038064 /nfs/dbraw/zinc/03/80/64/596038064.db2.gz DXWCEQCGASVPBD-KRWDZBQOSA-N 2 2 343.431 1.410 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3SCCS3)C2)CC1 ZINC000852128121 596053981 /nfs/dbraw/zinc/05/39/81/596053981.db2.gz GQKITIDMLJMWMD-GFCCVEGCSA-N 2 2 344.550 1.260 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3SCCS3)C2)CC1 ZINC000852128121 596053983 /nfs/dbraw/zinc/05/39/83/596053983.db2.gz GQKITIDMLJMWMD-GFCCVEGCSA-N 2 2 344.550 1.260 20 0 EDADLP O=C1CC[C@H]([NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)C(=O)N1 ZINC000852189295 596078873 /nfs/dbraw/zinc/07/88/73/596078873.db2.gz CSXCGNOEOAGNKE-HNNXBMFYSA-N 2 2 326.400 1.623 20 0 EDADLP CO/C(=C/c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000857122655 596163473 /nfs/dbraw/zinc/16/34/73/596163473.db2.gz KNPLAUHKKOGWKK-GMYFBSLISA-N 2 2 343.471 1.959 20 0 EDADLP CO/C(=C/c1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000857122655 596163475 /nfs/dbraw/zinc/16/34/75/596163475.db2.gz KNPLAUHKKOGWKK-GMYFBSLISA-N 2 2 343.471 1.959 20 0 EDADLP CC[C@@H]1COC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852556551 596197607 /nfs/dbraw/zinc/19/76/07/596197607.db2.gz BBYFAPAVIIHUNR-CVEARBPZSA-N 2 2 332.448 1.135 20 0 EDADLP COC(=O)N(C)CC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852566669 596198771 /nfs/dbraw/zinc/19/87/71/596198771.db2.gz HZUXICLZTQOBEK-UHFFFAOYSA-N 2 2 335.448 1.649 20 0 EDADLP COC(=O)N(C)CC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852566669 596198773 /nfs/dbraw/zinc/19/87/73/596198773.db2.gz HZUXICLZTQOBEK-UHFFFAOYSA-N 2 2 335.448 1.649 20 0 EDADLP Cc1[nH]c(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)[nH+]c1C ZINC000862358466 596308561 /nfs/dbraw/zinc/30/85/61/596308561.db2.gz IVIAGYHDDAJZIC-AWEZNQCLSA-N 2 2 337.468 1.667 20 0 EDADLP Cc1[nH]c(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)[nH+]c1C ZINC000862358466 596308563 /nfs/dbraw/zinc/30/85/63/596308563.db2.gz IVIAGYHDDAJZIC-AWEZNQCLSA-N 2 2 337.468 1.667 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000862463714 596332752 /nfs/dbraw/zinc/33/27/52/596332752.db2.gz KEMVLANMHHMKBW-IBGZPJMESA-N 2 2 333.476 1.528 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000866775910 596338079 /nfs/dbraw/zinc/33/80/79/596338079.db2.gz BRUKXLOJLJNTKA-RBSFLKMASA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000866775910 596338084 /nfs/dbraw/zinc/33/80/84/596338084.db2.gz BRUKXLOJLJNTKA-RBSFLKMASA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)C1 ZINC000866775910 596338090 /nfs/dbraw/zinc/33/80/90/596338090.db2.gz BRUKXLOJLJNTKA-RBSFLKMASA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)C1 ZINC000866775910 596338093 /nfs/dbraw/zinc/33/80/93/596338093.db2.gz BRUKXLOJLJNTKA-RBSFLKMASA-N 2 2 329.435 1.906 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000866775908 596338490 /nfs/dbraw/zinc/33/84/90/596338490.db2.gz BRUKXLOJLJNTKA-QLFBSQMISA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000866775908 596338493 /nfs/dbraw/zinc/33/84/93/596338493.db2.gz BRUKXLOJLJNTKA-QLFBSQMISA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)C1 ZINC000866775908 596338494 /nfs/dbraw/zinc/33/84/94/596338494.db2.gz BRUKXLOJLJNTKA-QLFBSQMISA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)C1 ZINC000866775908 596338497 /nfs/dbraw/zinc/33/84/97/596338497.db2.gz BRUKXLOJLJNTKA-QLFBSQMISA-N 2 2 329.435 1.906 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000870854482 596378693 /nfs/dbraw/zinc/37/86/93/596378693.db2.gz GIVPMOQLULTPPV-RBSFLKMASA-N 2 2 337.489 1.755 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000869010722 596380349 /nfs/dbraw/zinc/38/03/49/596380349.db2.gz HAYHTFUJPVYFKA-PQUAAJSLSA-N 2 2 338.496 1.365 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870861801 596380660 /nfs/dbraw/zinc/38/06/60/596380660.db2.gz PPWSBRLOPJRCEV-UHFFFAOYSA-N 2 2 331.445 1.847 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000870876353 596386391 /nfs/dbraw/zinc/38/63/91/596386391.db2.gz LSNFSDZFJWZSGI-UHFFFAOYSA-N 3 2 334.508 1.193 20 0 EDADLP CN(C(=O)/C=C\C[NH+]1CCOCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000867538188 596421356 /nfs/dbraw/zinc/42/13/56/596421356.db2.gz GVWJORRATXXHII-HJWRWDBZSA-N 2 2 337.508 1.988 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000870979544 596426454 /nfs/dbraw/zinc/42/64/54/596426454.db2.gz OGWREGSBAFWMBC-QZTJIDSGSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000870979544 596426456 /nfs/dbraw/zinc/42/64/56/596426456.db2.gz OGWREGSBAFWMBC-QZTJIDSGSA-N 2 2 331.460 1.454 20 0 EDADLP CN1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)Cc2ccc[nH+]c21 ZINC000871019671 596440025 /nfs/dbraw/zinc/44/00/25/596440025.db2.gz CNEQLUPASWXGKP-UHFFFAOYSA-N 2 2 336.439 1.862 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C[C@H](C)C1(F)F ZINC000863273394 596535654 /nfs/dbraw/zinc/53/56/54/596535654.db2.gz CBCJLSMJBGXNFD-TXEJJXNPSA-N 2 2 344.406 1.183 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C[C@H](C)C1(F)F ZINC000863273394 596535657 /nfs/dbraw/zinc/53/56/57/596535657.db2.gz CBCJLSMJBGXNFD-TXEJJXNPSA-N 2 2 344.406 1.183 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNc2nc(N)[nH+]c(C3CCCC3)n2)CC1 ZINC000865441204 596575471 /nfs/dbraw/zinc/57/54/71/596575471.db2.gz COFDCAMNSDOVIJ-CYBMUJFWSA-N 2 2 333.484 1.549 20 0 EDADLP c1c(C[NH2+]CCCCNc2cccc[nH+]2)nnn1C[C@@H]1CCCO1 ZINC000865445060 596576772 /nfs/dbraw/zinc/57/67/72/596576772.db2.gz DDXOXTPGMPDSRJ-INIZCTEOSA-N 2 2 330.436 1.834 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865456175 596581064 /nfs/dbraw/zinc/58/10/64/596581064.db2.gz QWHCJOLLZZETRM-UHFFFAOYSA-N 2 2 328.819 1.516 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000863546191 596613728 /nfs/dbraw/zinc/61/37/28/596613728.db2.gz FSIZIUCMPBRFHX-UHFFFAOYSA-N 2 2 332.448 1.017 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000863546140 596613998 /nfs/dbraw/zinc/61/39/98/596613998.db2.gz DZGXCPYQVMQGPL-BURFUSLBSA-N 2 2 347.459 1.753 20 0 EDADLP COc1ccc(C2=NO[C@H](C[NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000863557341 596617823 /nfs/dbraw/zinc/61/78/23/596617823.db2.gz MTXFZNXKEICNKJ-WBVHZDCISA-N 2 2 333.432 1.235 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865639183 596635684 /nfs/dbraw/zinc/63/56/84/596635684.db2.gz MMQVCCNDJUGPHN-AWEZNQCLSA-N 2 2 345.365 1.857 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865639183 596635686 /nfs/dbraw/zinc/63/56/86/596635686.db2.gz MMQVCCNDJUGPHN-AWEZNQCLSA-N 2 2 345.365 1.857 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C2)cc1 ZINC000867998740 596649634 /nfs/dbraw/zinc/64/96/34/596649634.db2.gz ZSYCXPWSUNCKBQ-UHOSZYNNSA-N 2 2 347.503 1.931 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C2)cc1 ZINC000867998740 596649636 /nfs/dbraw/zinc/64/96/36/596649636.db2.gz ZSYCXPWSUNCKBQ-UHOSZYNNSA-N 2 2 347.503 1.931 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)[C@]3(c4ccccc4)CC[NH2+]C3)cc2C1 ZINC000868037656 596663892 /nfs/dbraw/zinc/66/38/92/596663892.db2.gz VJSXZIWUWWWLFN-GOSISDBHSA-N 2 2 325.416 1.198 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)[C@]3(c4ccccc4)CC[NH2+]C3)cc2C1 ZINC000868037656 596663893 /nfs/dbraw/zinc/66/38/93/596663893.db2.gz VJSXZIWUWWWLFN-GOSISDBHSA-N 2 2 325.416 1.198 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865791749 596685228 /nfs/dbraw/zinc/68/52/28/596685228.db2.gz KESBYRIZQPWRBG-WAYWQWQTSA-N 2 2 337.508 1.845 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865791749 596685230 /nfs/dbraw/zinc/68/52/30/596685230.db2.gz KESBYRIZQPWRBG-WAYWQWQTSA-N 2 2 337.508 1.845 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000868281754 596762561 /nfs/dbraw/zinc/76/25/61/596762561.db2.gz NVGCRGPDHQOIKY-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000868281754 596762563 /nfs/dbraw/zinc/76/25/63/596762563.db2.gz NVGCRGPDHQOIKY-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000866092515 596785723 /nfs/dbraw/zinc/78/57/23/596785723.db2.gz KLMVLNSMKYQKTN-GJZGRUSLSA-N 2 2 345.434 1.144 20 0 EDADLP O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000866092515 596785724 /nfs/dbraw/zinc/78/57/24/596785724.db2.gz KLMVLNSMKYQKTN-GJZGRUSLSA-N 2 2 345.434 1.144 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000866135821 596800617 /nfs/dbraw/zinc/80/06/17/596800617.db2.gz LGFTXNMAIRMSRJ-NVAPOSRTSA-N 2 2 343.471 1.608 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000866135821 596800622 /nfs/dbraw/zinc/80/06/22/596800622.db2.gz LGFTXNMAIRMSRJ-NVAPOSRTSA-N 2 2 343.471 1.608 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000872153731 596815092 /nfs/dbraw/zinc/81/50/92/596815092.db2.gz OGNCGWZFQLHEAB-VBKZILBWSA-N 2 2 338.455 1.594 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000872153731 596815093 /nfs/dbraw/zinc/81/50/93/596815093.db2.gz OGNCGWZFQLHEAB-VBKZILBWSA-N 2 2 338.455 1.594 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872154375 596815276 /nfs/dbraw/zinc/81/52/76/596815276.db2.gz ZETAHHLXXQIPMM-AZUAARDMSA-N 2 2 345.487 1.769 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872154375 596815279 /nfs/dbraw/zinc/81/52/79/596815279.db2.gz ZETAHHLXXQIPMM-AZUAARDMSA-N 2 2 345.487 1.769 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@@H]21 ZINC000866206620 596826770 /nfs/dbraw/zinc/82/67/70/596826770.db2.gz FABYXXQIXYWTBP-GJZGRUSLSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@@H]21 ZINC000866206620 596826773 /nfs/dbraw/zinc/82/67/73/596826773.db2.gz FABYXXQIXYWTBP-GJZGRUSLSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@@H]21 ZINC000866206620 596826775 /nfs/dbraw/zinc/82/67/75/596826775.db2.gz FABYXXQIXYWTBP-GJZGRUSLSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@@H]21 ZINC000866206620 596826778 /nfs/dbraw/zinc/82/67/78/596826778.db2.gz FABYXXQIXYWTBP-GJZGRUSLSA-N 2 2 331.464 1.358 20 0 EDADLP CC(=O)NCC1CCC(Nc2ccc(N3CC[NH+](C)CC3)c[nH+]2)CC1 ZINC000866317100 596854009 /nfs/dbraw/zinc/85/40/09/596854009.db2.gz WLCFIEQDWUVYAP-UHFFFAOYSA-N 2 2 345.491 1.940 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CC1CC2(CCC2)C1 ZINC000872504389 596939999 /nfs/dbraw/zinc/93/99/99/596939999.db2.gz CVUNWUAVLBWWBP-UHFFFAOYSA-N 2 2 331.526 1.370 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CC1CC2(CCC2)C1 ZINC000872504389 596940001 /nfs/dbraw/zinc/94/00/01/596940001.db2.gz CVUNWUAVLBWWBP-UHFFFAOYSA-N 2 2 331.526 1.370 20 0 EDADLP Cn1c(Cl)ncc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000874256947 596988961 /nfs/dbraw/zinc/98/89/61/596988961.db2.gz OODOXLWAFJNVEI-UHFFFAOYSA-N 2 2 339.871 1.362 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000872779990 597064761 /nfs/dbraw/zinc/06/47/61/597064761.db2.gz UNQCPBXXLNICQC-CABCVRRESA-N 2 2 331.464 1.501 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000872779990 597064765 /nfs/dbraw/zinc/06/47/65/597064765.db2.gz UNQCPBXXLNICQC-CABCVRRESA-N 2 2 331.464 1.501 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000874457841 597088386 /nfs/dbraw/zinc/08/83/86/597088386.db2.gz RPCNXTIYNLAPFS-SFHVURJKSA-N 2 2 331.460 1.142 20 0 EDADLP Cc1nccnc1[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000872901269 597116651 /nfs/dbraw/zinc/11/66/51/597116651.db2.gz IHISPRYULSMRHK-HUUCEWRRSA-N 2 2 346.479 1.314 20 0 EDADLP Cc1nccnc1[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000872901269 597116653 /nfs/dbraw/zinc/11/66/53/597116653.db2.gz IHISPRYULSMRHK-HUUCEWRRSA-N 2 2 346.479 1.314 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CC(C)(C)CO3)C2)CC1 ZINC000872902981 597117529 /nfs/dbraw/zinc/11/75/29/597117529.db2.gz IZLSOKPXTBPESF-GOEBONIOSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CC(C)(C)CO3)C2)CC1 ZINC000872902981 597117532 /nfs/dbraw/zinc/11/75/32/597117532.db2.gz IZLSOKPXTBPESF-GOEBONIOSA-N 2 2 338.496 1.269 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000874701193 597144985 /nfs/dbraw/zinc/14/49/85/597144985.db2.gz RWZHEBXUQQBWGZ-GOSISDBHSA-N 2 2 342.443 1.772 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000874701193 597144987 /nfs/dbraw/zinc/14/49/87/597144987.db2.gz RWZHEBXUQQBWGZ-GOSISDBHSA-N 2 2 342.443 1.772 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000874704138 597148752 /nfs/dbraw/zinc/14/87/52/597148752.db2.gz GATAMJCVVJQCJL-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000874704138 597148758 /nfs/dbraw/zinc/14/87/58/597148758.db2.gz GATAMJCVVJQCJL-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000874704138 597148760 /nfs/dbraw/zinc/14/87/60/597148760.db2.gz GATAMJCVVJQCJL-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000874704138 597148765 /nfs/dbraw/zinc/14/87/65/597148765.db2.gz GATAMJCVVJQCJL-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2csc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000876541845 597233511 /nfs/dbraw/zinc/23/35/11/597233511.db2.gz HPHOILZRNYCZPO-QUCGXOGASA-N 2 2 333.379 1.881 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2csc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000876541845 597233512 /nfs/dbraw/zinc/23/35/12/597233512.db2.gz HPHOILZRNYCZPO-QUCGXOGASA-N 2 2 333.379 1.881 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000876542701 597233959 /nfs/dbraw/zinc/23/39/59/597233959.db2.gz RYYVUPMPFCLBTF-FMFIFOJESA-N 2 2 327.350 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000876542701 597233960 /nfs/dbraw/zinc/23/39/60/597233960.db2.gz RYYVUPMPFCLBTF-FMFIFOJESA-N 2 2 327.350 1.820 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000875071411 597269714 /nfs/dbraw/zinc/26/97/14/597269714.db2.gz IVSCVELMXNPVMH-BRWVUGGUSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000875071411 597269715 /nfs/dbraw/zinc/26/97/15/597269715.db2.gz IVSCVELMXNPVMH-BRWVUGGUSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000875071411 597269718 /nfs/dbraw/zinc/26/97/18/597269718.db2.gz IVSCVELMXNPVMH-BRWVUGGUSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000875071411 597269720 /nfs/dbraw/zinc/26/97/20/597269720.db2.gz IVSCVELMXNPVMH-BRWVUGGUSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000875142836 597300622 /nfs/dbraw/zinc/30/06/22/597300622.db2.gz FQXUIWLHMMEGAY-YESZJQIVSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000875142836 597300624 /nfs/dbraw/zinc/30/06/24/597300624.db2.gz FQXUIWLHMMEGAY-YESZJQIVSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000875142836 597300626 /nfs/dbraw/zinc/30/06/26/597300626.db2.gz FQXUIWLHMMEGAY-YESZJQIVSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000875142836 597300629 /nfs/dbraw/zinc/30/06/29/597300629.db2.gz FQXUIWLHMMEGAY-YESZJQIVSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000876782297 597338652 /nfs/dbraw/zinc/33/86/52/597338652.db2.gz OHFRONCJAHGOTM-WMLDXEAASA-N 2 2 344.459 1.991 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000876782297 597338656 /nfs/dbraw/zinc/33/86/56/597338656.db2.gz OHFRONCJAHGOTM-WMLDXEAASA-N 2 2 344.459 1.991 20 0 EDADLP CN(C(=O)c1ccc(F)cc1N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876972195 597402196 /nfs/dbraw/zinc/40/21/96/597402196.db2.gz QZHSMZRPNSOGDE-OAHLLOKOSA-N 2 2 334.439 1.648 20 0 EDADLP CN(C(=O)c1ccc(F)cc1N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876972195 597402197 /nfs/dbraw/zinc/40/21/97/597402197.db2.gz QZHSMZRPNSOGDE-OAHLLOKOSA-N 2 2 334.439 1.648 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)CC1 ZINC000873821703 597404928 /nfs/dbraw/zinc/40/49/28/597404928.db2.gz PQOAJSKUKDYUKP-HZPDHXFCSA-N 2 2 325.416 1.904 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)CC1 ZINC000873821703 597404929 /nfs/dbraw/zinc/40/49/29/597404929.db2.gz PQOAJSKUKDYUKP-HZPDHXFCSA-N 2 2 325.416 1.904 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccns1 ZINC000875428799 597425072 /nfs/dbraw/zinc/42/50/72/597425072.db2.gz SZRXPOUTFNIGMY-LBPRGKRZSA-N 2 2 325.482 1.529 20 0 EDADLP CC1(C)[C@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C[C@@H]1[NH3+] ZINC000877201317 597460773 /nfs/dbraw/zinc/46/07/73/597460773.db2.gz FFTHHIUJARJJMY-KBPBESRZSA-N 2 2 334.489 1.624 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CCC3C[NH2+]C3)C2)cc1 ZINC000877248383 597479011 /nfs/dbraw/zinc/47/90/11/597479011.db2.gz LIKQEGGMFMLVFY-GOSISDBHSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CCC3C[NH2+]C3)C2)cc1 ZINC000877248383 597479012 /nfs/dbraw/zinc/47/90/12/597479012.db2.gz LIKQEGGMFMLVFY-GOSISDBHSA-N 2 2 331.460 1.312 20 0 EDADLP C[N@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000878125321 597580229 /nfs/dbraw/zinc/58/02/29/597580229.db2.gz NYHJNNSAZKWLQZ-GHMZBOCLSA-N 2 2 332.242 1.744 20 0 EDADLP C[N@@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000878125321 597580230 /nfs/dbraw/zinc/58/02/30/597580230.db2.gz NYHJNNSAZKWLQZ-GHMZBOCLSA-N 2 2 332.242 1.744 20 0 EDADLP C[NH+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CCC[N@H+](C)C1 ZINC000878125321 597580231 /nfs/dbraw/zinc/58/02/31/597580231.db2.gz NYHJNNSAZKWLQZ-GHMZBOCLSA-N 2 2 332.242 1.744 20 0 EDADLP C[NH+](C[C@@H](O)c1cc(Br)no1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878125321 597580232 /nfs/dbraw/zinc/58/02/32/597580232.db2.gz NYHJNNSAZKWLQZ-GHMZBOCLSA-N 2 2 332.242 1.744 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCc2nnnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000878173312 597584190 /nfs/dbraw/zinc/58/41/90/597584190.db2.gz VTJDFQCGXPMUJT-NVXWUHKLSA-N 2 2 328.464 1.738 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCc2nnnn2C)CC[N@H+]1Cc1ccccc1 ZINC000878173312 597584191 /nfs/dbraw/zinc/58/41/91/597584191.db2.gz VTJDFQCGXPMUJT-NVXWUHKLSA-N 2 2 328.464 1.738 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CCc2nnnn2C)CC[NH+]1Cc1ccccc1 ZINC000878173312 597584192 /nfs/dbraw/zinc/58/41/92/597584192.db2.gz VTJDFQCGXPMUJT-NVXWUHKLSA-N 2 2 328.464 1.738 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CCc2nnnn2C)CC[NH+]1Cc1ccccc1 ZINC000878173312 597584193 /nfs/dbraw/zinc/58/41/93/597584193.db2.gz VTJDFQCGXPMUJT-NVXWUHKLSA-N 2 2 328.464 1.738 20 0 EDADLP COCC[N@H+](C)CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883298031 597704839 /nfs/dbraw/zinc/70/48/39/597704839.db2.gz HCRZHVNTUOMVKA-KRWDZBQOSA-N 2 2 345.447 1.502 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883298031 597704843 /nfs/dbraw/zinc/70/48/43/597704843.db2.gz HCRZHVNTUOMVKA-KRWDZBQOSA-N 2 2 345.447 1.502 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000878965875 597768719 /nfs/dbraw/zinc/76/87/19/597768719.db2.gz YXPOCMMVVSXAHO-OAHLLOKOSA-N 2 2 348.495 1.256 20 0 EDADLP C[NH+](C)CCOCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000883639294 597841547 /nfs/dbraw/zinc/84/15/47/597841547.db2.gz LIDIQAKSUADOCJ-KRWDZBQOSA-N 2 2 345.447 1.502 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142755 597854915 /nfs/dbraw/zinc/85/49/15/597854915.db2.gz UESIJMXBAXQFCM-SJORKVTESA-N 2 2 343.427 1.773 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142755 597854916 /nfs/dbraw/zinc/85/49/16/597854916.db2.gz UESIJMXBAXQFCM-SJORKVTESA-N 2 2 343.427 1.773 20 0 EDADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142755 597854917 /nfs/dbraw/zinc/85/49/17/597854917.db2.gz UESIJMXBAXQFCM-SJORKVTESA-N 2 2 343.427 1.773 20 0 EDADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142755 597854918 /nfs/dbraw/zinc/85/49/18/597854918.db2.gz UESIJMXBAXQFCM-SJORKVTESA-N 2 2 343.427 1.773 20 0 EDADLP CO[C@@H]1C[C@H]2C[N@H+](CCn3cc[nH+]c3C)Cc3cccnc3N2C1 ZINC000879270640 597871758 /nfs/dbraw/zinc/87/17/58/597871758.db2.gz UMMWBYUTUJWQHQ-DLBZAZTESA-N 2 2 327.432 1.696 20 0 EDADLP CO[C@@H]1C[C@H]2C[N@@H+](CCn3cc[nH+]c3C)Cc3cccnc3N2C1 ZINC000879270640 597871759 /nfs/dbraw/zinc/87/17/59/597871759.db2.gz UMMWBYUTUJWQHQ-DLBZAZTESA-N 2 2 327.432 1.696 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(-n2nccn2)c1 ZINC000880336997 597906086 /nfs/dbraw/zinc/90/60/86/597906086.db2.gz RQNZLYFNWXBNEW-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(-n2nccn2)c1 ZINC000880336997 597906088 /nfs/dbraw/zinc/90/60/88/597906088.db2.gz RQNZLYFNWXBNEW-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP CN(CCCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)CCn1cc[nH+]c1 ZINC001067671020 695181210 /nfs/dbraw/zinc/18/12/10/695181210.db2.gz RHVRTSFXOHCQBC-UHFFFAOYSA-N 2 2 349.479 1.064 20 0 EDADLP CN(CCCN(C)C(=O)C[N@@H+](C)C1CCC1)C(=O)CCn1cc[nH+]c1 ZINC001067671020 695181211 /nfs/dbraw/zinc/18/12/11/695181211.db2.gz RHVRTSFXOHCQBC-UHFFFAOYSA-N 2 2 349.479 1.064 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914247647 695309537 /nfs/dbraw/zinc/30/95/37/695309537.db2.gz CEGQYBOUHCQZLA-LSDHHAIUSA-N 2 2 337.493 1.461 20 0 EDADLP CO[C@@H](C[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1)C1CCC1 ZINC001031049395 695378267 /nfs/dbraw/zinc/37/82/67/695378267.db2.gz CREMVMCEXCLFQR-QAPCUYQASA-N 2 2 337.508 1.866 20 0 EDADLP COCc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cs1 ZINC000939855309 699993478 /nfs/dbraw/zinc/99/34/78/699993478.db2.gz DGDNVQUDDMPRNA-JSGCOSHPSA-N 2 2 349.460 1.123 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939855695 699993766 /nfs/dbraw/zinc/99/37/66/699993766.db2.gz GLFUCOAZYCMWLM-DOMZBBRYSA-N 2 2 331.420 1.379 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992927898 695458379 /nfs/dbraw/zinc/45/83/79/695458379.db2.gz YLJJZWUCZSCAQD-BHYGNILZSA-N 2 2 343.431 1.596 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](CC)OC)C1 ZINC001031235257 695929029 /nfs/dbraw/zinc/92/90/29/695929029.db2.gz PSMHOVYHIDKQIG-SJORKVTESA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](CC)OC)C1 ZINC001031235257 695929032 /nfs/dbraw/zinc/92/90/32/695929032.db2.gz PSMHOVYHIDKQIG-SJORKVTESA-N 2 2 325.497 1.866 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](CC[C@@H]3CC3(Cl)Cl)C2)C1 ZINC001031260190 696066919 /nfs/dbraw/zinc/06/69/19/696066919.db2.gz NAYBGMYRBOLCNP-NWDGAFQWSA-N 2 2 334.291 1.713 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](CC[C@@H]3CC3(Cl)Cl)C2)C1 ZINC001031260190 696066920 /nfs/dbraw/zinc/06/69/20/696066920.db2.gz NAYBGMYRBOLCNP-NWDGAFQWSA-N 2 2 334.291 1.713 20 0 EDADLP CO[C@@H](C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1 ZINC001031259457 696071097 /nfs/dbraw/zinc/07/10/97/696071097.db2.gz BLHDWZUTRZEHTD-YJBOKZPZSA-N 2 2 331.460 1.516 20 0 EDADLP CO[C@@H](C[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1 ZINC001031259457 696071099 /nfs/dbraw/zinc/07/10/99/696071099.db2.gz BLHDWZUTRZEHTD-YJBOKZPZSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993534582 696210819 /nfs/dbraw/zinc/21/08/19/696210819.db2.gz IAQJCUDBHPYOBW-XJKSGUPXSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CCC[N@H+]1CC(=O)N(C)C ZINC000993534582 696210821 /nfs/dbraw/zinc/21/08/21/696210821.db2.gz IAQJCUDBHPYOBW-XJKSGUPXSA-N 2 2 343.431 1.005 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2oc(C)nc2C)[C@H]1C ZINC000993612737 696259213 /nfs/dbraw/zinc/25/92/13/696259213.db2.gz JVNZMKAGSKMEPC-HOCLYGCPSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1conc1C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993749540 696347978 /nfs/dbraw/zinc/34/79/78/696347978.db2.gz CLKXWAOGIHJURM-HOCLYGCPSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993749540 696347980 /nfs/dbraw/zinc/34/79/80/696347980.db2.gz CLKXWAOGIHJURM-HOCLYGCPSA-N 2 2 334.464 1.794 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CCC[N@@H+]1CCCO ZINC000994203620 696578508 /nfs/dbraw/zinc/57/85/08/696578508.db2.gz ARKBEOUPSBLCAS-GDBMZVCRSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CCC[N@H+]1CCCO ZINC000994203620 696578510 /nfs/dbraw/zinc/57/85/10/696578510.db2.gz ARKBEOUPSBLCAS-GDBMZVCRSA-N 2 2 343.431 1.232 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)o1 ZINC000994225896 696590994 /nfs/dbraw/zinc/59/09/94/696590994.db2.gz DOROFLQZWCLLCL-CJNGLKHVSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)o1 ZINC000994225896 696590995 /nfs/dbraw/zinc/59/09/95/696590995.db2.gz DOROFLQZWCLLCL-CJNGLKHVSA-N 2 2 345.447 1.737 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000916031962 696614985 /nfs/dbraw/zinc/61/49/85/696614985.db2.gz HKCUNWASRBDBGB-UHFFFAOYSA-N 2 2 339.509 1.736 20 0 EDADLP CCn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)n1 ZINC000994249226 696638514 /nfs/dbraw/zinc/63/85/14/696638514.db2.gz FMSFWUILKBAUTA-DOTOQJQBSA-N 2 2 345.491 1.468 20 0 EDADLP CCn1ccc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)n1 ZINC000994249226 696638515 /nfs/dbraw/zinc/63/85/15/696638515.db2.gz FMSFWUILKBAUTA-DOTOQJQBSA-N 2 2 345.491 1.468 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NCC2CC[NH+](C)CC2)n1 ZINC000916873773 696803913 /nfs/dbraw/zinc/80/39/13/696803913.db2.gz GEJFKXJFMKFYCB-UHFFFAOYSA-N 2 2 325.482 1.346 20 0 EDADLP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)c(C)o1 ZINC000994421532 696842794 /nfs/dbraw/zinc/84/27/94/696842794.db2.gz MHZWFYFUBBCYOE-BLLLJJGKSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)c(C)o1 ZINC000994421532 696842796 /nfs/dbraw/zinc/84/27/96/696842796.db2.gz MHZWFYFUBBCYOE-BLLLJJGKSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC001031391993 697020152 /nfs/dbraw/zinc/02/01/52/697020152.db2.gz QPSFSQVAJWVKGG-RDTXWAMCSA-N 2 2 342.443 1.157 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCc3ccccc3C)C2)C1 ZINC001031415560 697063188 /nfs/dbraw/zinc/06/31/88/697063188.db2.gz YOMCEWXUYFEYTB-LJQANCHMSA-N 2 2 345.487 1.449 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCc3ccccc3C)C2)C1 ZINC001031415560 697063191 /nfs/dbraw/zinc/06/31/91/697063191.db2.gz YOMCEWXUYFEYTB-LJQANCHMSA-N 2 2 345.487 1.449 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001031585120 697280875 /nfs/dbraw/zinc/28/08/75/697280875.db2.gz PWOAXKBIDVEEQI-MRXNPFEDSA-N 2 2 337.851 1.688 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001031585120 697280876 /nfs/dbraw/zinc/28/08/76/697280876.db2.gz PWOAXKBIDVEEQI-MRXNPFEDSA-N 2 2 337.851 1.688 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000920506902 697440744 /nfs/dbraw/zinc/44/07/44/697440744.db2.gz MSEKPUIIAZIKSG-UHFFFAOYSA-N 2 2 339.509 1.878 20 0 EDADLP C[C@@H]1COC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000920603834 697451246 /nfs/dbraw/zinc/45/12/46/697451246.db2.gz OGVJDRCOXTXNSW-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)cn1 ZINC001031668193 697459862 /nfs/dbraw/zinc/45/98/62/697459862.db2.gz ADJRFZIJCSMTLH-AEFFLSMTSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)cn1 ZINC001031668193 697459864 /nfs/dbraw/zinc/45/98/64/697459864.db2.gz ADJRFZIJCSMTLH-AEFFLSMTSA-N 2 2 343.475 1.207 20 0 EDADLP C[C@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174412 697866700 /nfs/dbraw/zinc/86/67/00/697866700.db2.gz CQEDFHFVHDHRHC-SMDDNHRTSA-N 2 2 326.391 1.824 20 0 EDADLP C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174412 697866707 /nfs/dbraw/zinc/86/67/07/697866707.db2.gz CQEDFHFVHDHRHC-SMDDNHRTSA-N 2 2 326.391 1.824 20 0 EDADLP Cc1cccnc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943176692 697871565 /nfs/dbraw/zinc/87/15/65/697871565.db2.gz KYNCVEOVCYRHHH-ZBFHGGJFSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1cccnc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943176692 697871568 /nfs/dbraw/zinc/87/15/68/697871568.db2.gz KYNCVEOVCYRHHH-ZBFHGGJFSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000943332355 698148573 /nfs/dbraw/zinc/14/85/73/698148573.db2.gz CEQTYQRDTNAQBI-CZUORRHYSA-N 2 2 348.495 1.172 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000943332355 698148577 /nfs/dbraw/zinc/14/85/77/698148577.db2.gz CEQTYQRDTNAQBI-CZUORRHYSA-N 2 2 348.495 1.172 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3F)C2)O1 ZINC001031765658 699056444 /nfs/dbraw/zinc/05/64/44/699056444.db2.gz KUFFMHHNUOCVGC-CXAGYDPISA-N 2 2 335.423 1.093 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3F)C2)O1 ZINC001031765658 699056448 /nfs/dbraw/zinc/05/64/48/699056448.db2.gz KUFFMHHNUOCVGC-CXAGYDPISA-N 2 2 335.423 1.093 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031767241 699070861 /nfs/dbraw/zinc/07/08/61/699070861.db2.gz UQXDVMKBSVSTSL-GOEBONIOSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031767241 699070864 /nfs/dbraw/zinc/07/08/64/699070864.db2.gz UQXDVMKBSVSTSL-GOEBONIOSA-N 2 2 334.489 1.708 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939127357 699205106 /nfs/dbraw/zinc/20/51/06/699205106.db2.gz COQBHATXKITESH-HOCLYGCPSA-N 2 2 348.491 1.905 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939127357 699205109 /nfs/dbraw/zinc/20/51/09/699205109.db2.gz COQBHATXKITESH-HOCLYGCPSA-N 2 2 348.491 1.905 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784782 699219516 /nfs/dbraw/zinc/21/95/16/699219516.db2.gz XUZPPVSRDXIERU-AWEZNQCLSA-N 2 2 345.472 1.193 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000939210817 699358571 /nfs/dbraw/zinc/35/85/71/699358571.db2.gz PXQYNZWIIZXKCC-GUYCJALGSA-N 2 2 342.447 1.122 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)sc1C ZINC000939210750 699358783 /nfs/dbraw/zinc/35/87/83/699358783.db2.gz PGZDKQNDBXVPSL-YGRLFVJLSA-N 2 2 333.461 1.662 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC000939211423 699359735 /nfs/dbraw/zinc/35/97/35/699359735.db2.gz RNSSXBQEENRLOK-ZYHUDNBSSA-N 2 2 338.362 1.181 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001031802469 699364682 /nfs/dbraw/zinc/36/46/82/699364682.db2.gz RRZBTKDIPSLURD-KRWDZBQOSA-N 2 2 333.480 1.089 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001031802469 699364685 /nfs/dbraw/zinc/36/46/85/699364685.db2.gz RRZBTKDIPSLURD-KRWDZBQOSA-N 2 2 333.480 1.089 20 0 EDADLP CCCc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cs1 ZINC000939215653 699387447 /nfs/dbraw/zinc/38/74/47/699387447.db2.gz QQRWOBIDRMKEIG-IUODEOHRSA-N 2 2 347.488 1.998 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000995162469 701591077 /nfs/dbraw/zinc/59/10/77/701591077.db2.gz SUFLWXJBRIJDTA-CHWSQXEVSA-N 2 2 333.461 1.494 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)c1ccn2c[nH+]cc2c1 ZINC001031817553 699532918 /nfs/dbraw/zinc/53/29/18/699532918.db2.gz JOQLRKYRVWOIDZ-UHFFFAOYSA-N 2 2 327.413 1.653 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939400394 699549356 /nfs/dbraw/zinc/54/93/56/699549356.db2.gz MXQPNWOMXWZFGP-NHYWBVRUSA-N 2 2 334.370 1.867 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1 ZINC000939408110 699562703 /nfs/dbraw/zinc/56/27/03/699562703.db2.gz MFDZJLJWEVGKST-CJNGLKHVSA-N 2 2 328.416 1.598 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939409584 699564028 /nfs/dbraw/zinc/56/40/28/699564028.db2.gz WCOGYNXTZPVJCS-WCQYABFASA-N 2 2 333.823 1.637 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000941639739 701603276 /nfs/dbraw/zinc/60/32/76/701603276.db2.gz XXGCVQXVGCGIPX-UHFFFAOYSA-N 2 2 333.480 1.316 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939542031 699682864 /nfs/dbraw/zinc/68/28/64/699682864.db2.gz RKURNTFQVHKBED-NEPJUHHUSA-N 2 2 333.461 1.781 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)sn1 ZINC000939621509 699758128 /nfs/dbraw/zinc/75/81/28/699758128.db2.gz AOKMPBIJFAXETJ-IINYFYTJSA-N 2 2 349.460 1.362 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000939624403 699762280 /nfs/dbraw/zinc/76/22/80/699762280.db2.gz XRORSWOAOBXTTE-MEDUHNTESA-N 2 2 347.850 1.946 20 0 EDADLP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000940182176 700339314 /nfs/dbraw/zinc/33/93/14/700339314.db2.gz CMUDDEJXGIWTCL-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243222 700404295 /nfs/dbraw/zinc/40/42/95/700404295.db2.gz HFALCSGCAXBHNH-UHFFFAOYSA-N 2 2 330.436 1.178 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940621379 700782655 /nfs/dbraw/zinc/78/26/55/700782655.db2.gz RNYZZKWQNTYHNF-HOTGVXAUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940621379 700782657 /nfs/dbraw/zinc/78/26/57/700782657.db2.gz RNYZZKWQNTYHNF-HOTGVXAUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940621379 700782658 /nfs/dbraw/zinc/78/26/58/700782658.db2.gz RNYZZKWQNTYHNF-HOTGVXAUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940621379 700782659 /nfs/dbraw/zinc/78/26/59/700782659.db2.gz RNYZZKWQNTYHNF-HOTGVXAUSA-N 2 2 345.491 1.596 20 0 EDADLP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940621607 700782954 /nfs/dbraw/zinc/78/29/54/700782954.db2.gz UMLFNNZIKKWSAW-HZPDHXFCSA-N 2 2 333.480 1.231 20 0 EDADLP Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940621607 700782957 /nfs/dbraw/zinc/78/29/57/700782957.db2.gz UMLFNNZIKKWSAW-HZPDHXFCSA-N 2 2 333.480 1.231 20 0 EDADLP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940621607 700782959 /nfs/dbraw/zinc/78/29/59/700782959.db2.gz UMLFNNZIKKWSAW-HZPDHXFCSA-N 2 2 333.480 1.231 20 0 EDADLP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940621607 700782960 /nfs/dbraw/zinc/78/29/60/700782960.db2.gz UMLFNNZIKKWSAW-HZPDHXFCSA-N 2 2 333.480 1.231 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995105348 700919637 /nfs/dbraw/zinc/91/96/37/700919637.db2.gz FWEVJRVLFDTKFM-NWDGAFQWSA-N 2 2 334.449 1.187 20 0 EDADLP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C(C)(C)C2)n1 ZINC000940842616 700938514 /nfs/dbraw/zinc/93/85/14/700938514.db2.gz KLDXLUKFQHQOHQ-DLBZAZTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C(C)(C)C2)n1 ZINC000940842616 700938516 /nfs/dbraw/zinc/93/85/16/700938516.db2.gz KLDXLUKFQHQOHQ-DLBZAZTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940842616 700938518 /nfs/dbraw/zinc/93/85/18/700938518.db2.gz KLDXLUKFQHQOHQ-DLBZAZTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940842616 700938519 /nfs/dbraw/zinc/93/85/19/700938519.db2.gz KLDXLUKFQHQOHQ-DLBZAZTESA-N 2 2 347.507 1.621 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C)C2 ZINC000940846735 700941696 /nfs/dbraw/zinc/94/16/96/700941696.db2.gz HDSJGWJQBPIKGD-CZUORRHYSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C)C2 ZINC000940846735 700941697 /nfs/dbraw/zinc/94/16/97/700941697.db2.gz HDSJGWJQBPIKGD-CZUORRHYSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C)CC2 ZINC000940846735 700941698 /nfs/dbraw/zinc/94/16/98/700941698.db2.gz HDSJGWJQBPIKGD-CZUORRHYSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C)CC2 ZINC000940846735 700941699 /nfs/dbraw/zinc/94/16/99/700941699.db2.gz HDSJGWJQBPIKGD-CZUORRHYSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)CC1(C)C ZINC000940894242 700968452 /nfs/dbraw/zinc/96/84/52/700968452.db2.gz WMYHYYPRSAJBCY-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)CC1(C)C ZINC000940894242 700968456 /nfs/dbraw/zinc/96/84/56/700968456.db2.gz WMYHYYPRSAJBCY-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1cncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000995111775 701007770 /nfs/dbraw/zinc/00/77/70/701007770.db2.gz BZVJOIOXYUTJIU-ZBFHGGJFSA-N 2 2 327.432 1.730 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccccc3F)C2)C1 ZINC001031920028 701054991 /nfs/dbraw/zinc/05/49/91/701054991.db2.gz PKRHIFRGTQHWDV-SFHVURJKSA-N 2 2 349.450 1.483 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccccc3F)C2)C1 ZINC001031920028 701054993 /nfs/dbraw/zinc/05/49/93/701054993.db2.gz PKRHIFRGTQHWDV-SFHVURJKSA-N 2 2 349.450 1.483 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995116964 701070899 /nfs/dbraw/zinc/07/08/99/701070899.db2.gz NZCDZAIPYQKIOM-KBPBESRZSA-N 2 2 343.431 1.431 20 0 EDADLP CC1(C)C[N@H+](Cc2cnns2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166336 701377360 /nfs/dbraw/zinc/37/73/60/701377360.db2.gz FYWMTIBWVNYGPL-CQSZACIVSA-N 2 2 349.504 1.351 20 0 EDADLP CC1(C)C[N@@H+](Cc2cnns2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166336 701377362 /nfs/dbraw/zinc/37/73/62/701377362.db2.gz FYWMTIBWVNYGPL-CQSZACIVSA-N 2 2 349.504 1.351 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217245 701403490 /nfs/dbraw/zinc/40/34/90/701403490.db2.gz LBSIGECFNXYTKV-CABCVRRESA-N 2 2 333.480 1.089 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217245 701403492 /nfs/dbraw/zinc/40/34/92/701403492.db2.gz LBSIGECFNXYTKV-CABCVRRESA-N 2 2 333.480 1.089 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217245 701403493 /nfs/dbraw/zinc/40/34/93/701403493.db2.gz LBSIGECFNXYTKV-CABCVRRESA-N 2 2 333.480 1.089 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217245 701403495 /nfs/dbraw/zinc/40/34/95/701403495.db2.gz LBSIGECFNXYTKV-CABCVRRESA-N 2 2 333.480 1.089 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC001031948808 701519523 /nfs/dbraw/zinc/51/95/23/701519523.db2.gz PACKUPLZXFRARI-UHFFFAOYSA-N 2 2 347.507 1.528 20 0 EDADLP CCc1nc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)o1 ZINC000995148107 701536093 /nfs/dbraw/zinc/53/60/93/701536093.db2.gz AGXONUIBDUGGKI-KGLIPLIRSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)sn1 ZINC001032134510 701891740 /nfs/dbraw/zinc/89/17/40/701891740.db2.gz XHEYDMLBVJWWPI-UHFFFAOYSA-N 2 2 345.472 1.774 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031977762 702036133 /nfs/dbraw/zinc/03/61/33/702036133.db2.gz HUICYMHTACMPBA-BLLLJJGKSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031977762 702036139 /nfs/dbraw/zinc/03/61/39/702036139.db2.gz HUICYMHTACMPBA-BLLLJJGKSA-N 2 2 337.414 1.711 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995182813 702094104 /nfs/dbraw/zinc/09/41/04/702094104.db2.gz KGKFGHVTAGSFGF-UKRRQHHQSA-N 2 2 345.422 1.869 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(Cl)s3)C2)C1 ZINC001032182806 702211742 /nfs/dbraw/zinc/21/17/42/702211742.db2.gz RIECMIGLYZVMHD-LBPRGKRZSA-N 2 2 327.881 1.901 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(Cl)s3)C2)C1 ZINC001032182806 702211748 /nfs/dbraw/zinc/21/17/48/702211748.db2.gz RIECMIGLYZVMHD-LBPRGKRZSA-N 2 2 327.881 1.901 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nncs2)C1 ZINC000995188887 702224703 /nfs/dbraw/zinc/22/47/03/702224703.db2.gz YLMAVQMOGPRZQB-VXGBXAGGSA-N 2 2 334.449 1.187 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995916626 702277256 /nfs/dbraw/zinc/27/72/56/702277256.db2.gz SHUDIKUTYRBNJV-LSDHHAIUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995916626 702277264 /nfs/dbraw/zinc/27/72/64/702277264.db2.gz SHUDIKUTYRBNJV-LSDHHAIUSA-N 2 2 349.479 1.579 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186924 702288690 /nfs/dbraw/zinc/28/86/90/702288690.db2.gz ZJQWNKKTQAOEQI-AWEZNQCLSA-N 2 2 335.423 1.334 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186924 702288695 /nfs/dbraw/zinc/28/86/95/702288695.db2.gz ZJQWNKKTQAOEQI-AWEZNQCLSA-N 2 2 335.423 1.334 20 0 EDADLP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1)[NH+](C)C ZINC000995951814 702314591 /nfs/dbraw/zinc/31/45/91/702314591.db2.gz QDKVZYIPKDGONX-OLZOCXBDSA-N 2 2 325.482 1.205 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC000995194388 702399944 /nfs/dbraw/zinc/39/99/44/702399944.db2.gz GBNHGMCJTRGOEA-CVEARBPZSA-N 2 2 342.447 1.365 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944170042 702412416 /nfs/dbraw/zinc/41/24/16/702412416.db2.gz RVXYCRCYTWKKNH-CZUORRHYSA-N 2 2 343.431 1.776 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944170042 702412421 /nfs/dbraw/zinc/41/24/21/702412421.db2.gz RVXYCRCYTWKKNH-CZUORRHYSA-N 2 2 343.431 1.776 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)s1 ZINC000944153669 702442182 /nfs/dbraw/zinc/44/21/82/702442182.db2.gz JFCTXJYUGACTDB-GXTWGEPZSA-N 2 2 349.504 1.269 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)s1 ZINC000944153669 702442184 /nfs/dbraw/zinc/44/21/84/702442184.db2.gz JFCTXJYUGACTDB-GXTWGEPZSA-N 2 2 349.504 1.269 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2csc(C)n2)C(C)(C)C1 ZINC000996061085 702470455 /nfs/dbraw/zinc/47/04/55/702470455.db2.gz SJNNFILZUGPSNM-OAHLLOKOSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032666040 706679635 /nfs/dbraw/zinc/67/96/35/706679635.db2.gz SVJWODSSLXGMIS-IRXDYDNUSA-N 2 2 346.475 1.808 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032666040 706679637 /nfs/dbraw/zinc/67/96/37/706679637.db2.gz SVJWODSSLXGMIS-IRXDYDNUSA-N 2 2 346.475 1.808 20 0 EDADLP CCCc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)no1 ZINC000995216988 702735684 /nfs/dbraw/zinc/73/56/84/702735684.db2.gz VRMZEBWSGXHYIC-GJZGRUSLSA-N 2 2 349.479 1.492 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC000996437366 702768067 /nfs/dbraw/zinc/76/80/67/702768067.db2.gz VKTXZPKEJMVQKL-OAHLLOKOSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC000996437366 702768068 /nfs/dbraw/zinc/76/80/68/702768068.db2.gz VKTXZPKEJMVQKL-OAHLLOKOSA-N 2 2 344.459 1.289 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996512126 702831289 /nfs/dbraw/zinc/83/12/89/702831289.db2.gz AWFWPTRGHXORQA-HNNXBMFYSA-N 2 2 344.463 1.206 20 0 EDADLP CC(C)(C(=O)N1C[C@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996516215 702852085 /nfs/dbraw/zinc/85/20/85/702852085.db2.gz YHYSDKYCDFSEFH-ZBFHGGJFSA-N 2 2 348.491 1.941 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)on1 ZINC000996608619 702912020 /nfs/dbraw/zinc/91/20/20/702912020.db2.gz DFCKYCRCVIWDNY-CQSZACIVSA-N 2 2 347.419 1.215 20 0 EDADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996610318 702915467 /nfs/dbraw/zinc/91/54/67/702915467.db2.gz IFRDUDPFKKPVSI-UONOGXRCSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2csnn2)C(C)(C)C1 ZINC000996611343 702916564 /nfs/dbraw/zinc/91/65/64/702916564.db2.gz MDXSHMRRNAQTLX-SMDDNHRTSA-N 2 2 348.476 1.631 20 0 EDADLP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000996609470 702920420 /nfs/dbraw/zinc/92/04/20/702920420.db2.gz HADHDDBTOPRSKE-CQSZACIVSA-N 2 2 346.479 1.105 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996624129 702921705 /nfs/dbraw/zinc/92/17/05/702921705.db2.gz PMRWQJYPECJWCZ-AWEZNQCLSA-N 2 2 331.420 1.515 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996615219 702922615 /nfs/dbraw/zinc/92/26/15/702922615.db2.gz POVOEDNVAXXGGU-ZIAGYGMSSA-N 2 2 349.479 1.471 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996615219 702922618 /nfs/dbraw/zinc/92/26/18/702922618.db2.gz POVOEDNVAXXGGU-ZIAGYGMSSA-N 2 2 349.479 1.471 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995247159 702943465 /nfs/dbraw/zinc/94/34/65/702943465.db2.gz IWSRLAMXNSWNKC-CABCVRRESA-N 2 2 330.436 1.174 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)no1 ZINC000996667172 702964192 /nfs/dbraw/zinc/96/41/92/702964192.db2.gz UKXNDPBVBAKCMV-GFCCVEGCSA-N 2 2 335.452 1.504 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995251654 702979825 /nfs/dbraw/zinc/97/98/25/702979825.db2.gz PZMVPERBHBMGRP-HUUCEWRRSA-N 2 2 345.451 1.130 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000995251950 702981689 /nfs/dbraw/zinc/98/16/89/702981689.db2.gz RCLJGFPGINFMLH-CABCVRRESA-N 2 2 328.420 1.056 20 0 EDADLP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000996721772 703016993 /nfs/dbraw/zinc/01/69/93/703016993.db2.gz HKHYUEBKGNRWKO-WFASDCNBSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000996721772 703016995 /nfs/dbraw/zinc/01/69/95/703016995.db2.gz HKHYUEBKGNRWKO-WFASDCNBSA-N 2 2 335.452 1.504 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996729539 703026542 /nfs/dbraw/zinc/02/65/42/703026542.db2.gz DQZXRTGIROIPKI-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996735249 703031796 /nfs/dbraw/zinc/03/17/96/703031796.db2.gz ASKJXJMVDFYXEW-RDJZCZTQSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)no1 ZINC000996766133 703057212 /nfs/dbraw/zinc/05/72/12/703057212.db2.gz VLIOEFQCOPRQJO-UHFFFAOYSA-N 2 2 347.419 1.427 20 0 EDADLP Cc1nnsc1C[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996832819 703115609 /nfs/dbraw/zinc/11/56/09/703115609.db2.gz GKUVOCXSZFNVGB-UHFFFAOYSA-N 2 2 348.476 1.293 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC([NH2+]CCn3cncn3)CC2)c(C)[nH+]1 ZINC000996828932 703118225 /nfs/dbraw/zinc/11/82/25/703118225.db2.gz CCSIDXXUKXCAFN-UHFFFAOYSA-N 2 2 342.447 1.493 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000996858358 703142396 /nfs/dbraw/zinc/14/23/96/703142396.db2.gz HIJKICWFNJWSMK-UHFFFAOYSA-N 2 2 328.420 1.152 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)o1 ZINC001032042714 703205599 /nfs/dbraw/zinc/20/55/99/703205599.db2.gz HUQDCLRHQMFDIB-RDJZCZTQSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)o1 ZINC001032042714 703205601 /nfs/dbraw/zinc/20/56/01/703205601.db2.gz HUQDCLRHQMFDIB-RDJZCZTQSA-N 2 2 332.448 1.548 20 0 EDADLP CCn1ncnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996979605 703234904 /nfs/dbraw/zinc/23/49/04/703234904.db2.gz NOBAFVUZYJIPAZ-GDBMZVCRSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1ncnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000996979605 703234907 /nfs/dbraw/zinc/23/49/07/703234907.db2.gz NOBAFVUZYJIPAZ-GDBMZVCRSA-N 2 2 348.495 1.109 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)cn1 ZINC000997050185 703298687 /nfs/dbraw/zinc/29/86/87/703298687.db2.gz OHDHYBZOIZYWEQ-OAHLLOKOSA-N 2 2 342.447 1.713 20 0 EDADLP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)n1 ZINC000997081991 703320353 /nfs/dbraw/zinc/32/03/53/703320353.db2.gz AYMOLWCHEXWKFS-AWEZNQCLSA-N 2 2 344.463 1.586 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997085121 703330368 /nfs/dbraw/zinc/33/03/68/703330368.db2.gz OVRMNYUZHZRHRC-CQSZACIVSA-N 2 2 330.436 1.066 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997085121 703330370 /nfs/dbraw/zinc/33/03/70/703330370.db2.gz OVRMNYUZHZRHRC-CQSZACIVSA-N 2 2 330.436 1.066 20 0 EDADLP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060801202 703410546 /nfs/dbraw/zinc/41/05/46/703410546.db2.gz SWQHGGAPQRJDMX-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001032410249 703439707 /nfs/dbraw/zinc/43/97/07/703439707.db2.gz AEYUNFVIBZQCJA-XFKAJCMBSA-N 2 2 331.435 1.951 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(F)cc2)CC[N@H+]1C ZINC001032410249 703439710 /nfs/dbraw/zinc/43/97/10/703439710.db2.gz AEYUNFVIBZQCJA-XFKAJCMBSA-N 2 2 331.435 1.951 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(F)cc2)CC[NH+]1C ZINC001032410249 703439713 /nfs/dbraw/zinc/43/97/13/703439713.db2.gz AEYUNFVIBZQCJA-XFKAJCMBSA-N 2 2 331.435 1.951 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(F)cc2)CC[NH+]1C ZINC001032410249 703439715 /nfs/dbraw/zinc/43/97/15/703439715.db2.gz AEYUNFVIBZQCJA-XFKAJCMBSA-N 2 2 331.435 1.951 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000997180244 703470427 /nfs/dbraw/zinc/47/04/27/703470427.db2.gz NZRZLQOMURERGA-QGZVFWFLSA-N 2 2 334.464 1.502 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC000997180747 703471281 /nfs/dbraw/zinc/47/12/81/703471281.db2.gz VEBDSDRHSORJOA-CYBMUJFWSA-N 2 2 331.420 1.601 20 0 EDADLP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997189923 703472090 /nfs/dbraw/zinc/47/20/90/703472090.db2.gz ZMXYKJOGYFDWGK-ZBFHGGJFSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997185240 703474338 /nfs/dbraw/zinc/47/43/38/703474338.db2.gz ZSLXBXFOJLCVQA-CJNGLKHVSA-N 2 2 348.491 1.686 20 0 EDADLP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997185240 703474340 /nfs/dbraw/zinc/47/43/40/703474340.db2.gz ZSLXBXFOJLCVQA-CJNGLKHVSA-N 2 2 348.491 1.686 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000997210509 703510156 /nfs/dbraw/zinc/51/01/56/703510156.db2.gz KQABYOMMWHWBAB-UHFFFAOYSA-N 2 2 331.395 1.576 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)nn1C ZINC000997238691 703525387 /nfs/dbraw/zinc/52/53/87/703525387.db2.gz VMEHNVYKSWUIMU-UHFFFAOYSA-N 2 2 344.463 1.175 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)c1 ZINC001032444863 703622534 /nfs/dbraw/zinc/62/25/34/703622534.db2.gz PWNGUCWAJTVIGR-BZSNNMDCSA-N 2 2 328.460 1.515 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)c1 ZINC001032444863 703622535 /nfs/dbraw/zinc/62/25/35/703622535.db2.gz PWNGUCWAJTVIGR-BZSNNMDCSA-N 2 2 328.460 1.515 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(CO)cc1 ZINC001032479275 703714647 /nfs/dbraw/zinc/71/46/47/703714647.db2.gz LNHHOYPTAYGZAC-GBESFXJTSA-N 2 2 343.471 1.448 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc(CO)cc1 ZINC001032479275 703714648 /nfs/dbraw/zinc/71/46/48/703714648.db2.gz LNHHOYPTAYGZAC-GBESFXJTSA-N 2 2 343.471 1.448 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1 ZINC001032479275 703714650 /nfs/dbraw/zinc/71/46/50/703714650.db2.gz LNHHOYPTAYGZAC-GBESFXJTSA-N 2 2 343.471 1.448 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928496 703810077 /nfs/dbraw/zinc/81/00/77/703810077.db2.gz BJPOEYLEDWHZJK-IUODEOHRSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928496 703810079 /nfs/dbraw/zinc/81/00/79/703810079.db2.gz BJPOEYLEDWHZJK-IUODEOHRSA-N 2 2 331.420 1.428 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997613604 703913053 /nfs/dbraw/zinc/91/30/53/703913053.db2.gz KXXXGSONEONWNN-WMLDXEAASA-N 2 2 349.479 1.661 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997613604 703913056 /nfs/dbraw/zinc/91/30/56/703913056.db2.gz KXXXGSONEONWNN-WMLDXEAASA-N 2 2 349.479 1.661 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995549240 703932373 /nfs/dbraw/zinc/93/23/73/703932373.db2.gz BQFXBGSZZBLESY-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995549240 703932374 /nfs/dbraw/zinc/93/23/74/703932374.db2.gz BQFXBGSZZBLESY-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)nc1 ZINC001004205042 703944576 /nfs/dbraw/zinc/94/45/76/703944576.db2.gz YDMDXUNDPQWMAK-HZPDHXFCSA-N 2 2 345.491 1.738 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC001033080164 704145421 /nfs/dbraw/zinc/14/54/21/704145421.db2.gz DJYFDMILAGQQMX-QZTJIDSGSA-N 2 2 345.491 1.103 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC001033080164 704145423 /nfs/dbraw/zinc/14/54/23/704145423.db2.gz DJYFDMILAGQQMX-QZTJIDSGSA-N 2 2 345.491 1.103 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000999303041 706806778 /nfs/dbraw/zinc/80/67/78/706806778.db2.gz HJJMTTUZQDFQLZ-CVEARBPZSA-N 2 2 334.464 1.938 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000999303041 706806781 /nfs/dbraw/zinc/80/67/81/706806781.db2.gz HJJMTTUZQDFQLZ-CVEARBPZSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)o1 ZINC000997732193 704623652 /nfs/dbraw/zinc/62/36/52/704623652.db2.gz DGTVTOYNNILWNY-UHFFFAOYSA-N 2 2 332.408 1.062 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)on1 ZINC000997732842 704624660 /nfs/dbraw/zinc/62/46/60/704624660.db2.gz GCPSEUOKVNLVLV-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)c1ncccn1 ZINC000997737676 704634869 /nfs/dbraw/zinc/63/48/69/704634869.db2.gz KTWXGVMSGOQAGL-AWEZNQCLSA-N 2 2 342.447 1.722 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)c1cnccn1 ZINC000997737605 704634871 /nfs/dbraw/zinc/63/48/71/704634871.db2.gz JXFSBBPBEZATGQ-AWEZNQCLSA-N 2 2 342.447 1.722 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1)C1CCC1 ZINC001032550556 704685247 /nfs/dbraw/zinc/68/52/47/704685247.db2.gz XGYHDMBBMZKTMH-ULQDDVLXSA-N 2 2 332.448 1.373 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1)C1CCC1 ZINC001032550556 704685249 /nfs/dbraw/zinc/68/52/49/704685249.db2.gz XGYHDMBBMZKTMH-ULQDDVLXSA-N 2 2 332.448 1.373 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)ncn1 ZINC000997951427 705070514 /nfs/dbraw/zinc/07/05/14/705070514.db2.gz GFJIGLSZMOAZKM-UHFFFAOYSA-N 2 2 342.447 1.400 20 0 EDADLP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001032585842 705073059 /nfs/dbraw/zinc/07/30/59/705073059.db2.gz WTTDLQWRXSBHMQ-BZSNNMDCSA-N 2 2 335.492 1.571 20 0 EDADLP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001032585842 705073064 /nfs/dbraw/zinc/07/30/64/705073064.db2.gz WTTDLQWRXSBHMQ-BZSNNMDCSA-N 2 2 335.492 1.571 20 0 EDADLP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001032585842 705073069 /nfs/dbraw/zinc/07/30/69/705073069.db2.gz WTTDLQWRXSBHMQ-BZSNNMDCSA-N 2 2 335.492 1.571 20 0 EDADLP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001032585842 705073075 /nfs/dbraw/zinc/07/30/75/705073075.db2.gz WTTDLQWRXSBHMQ-BZSNNMDCSA-N 2 2 335.492 1.571 20 0 EDADLP CCn1ccnc1C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000997953748 705083039 /nfs/dbraw/zinc/08/30/39/705083039.db2.gz ZIORPUKVARSWNS-UHFFFAOYSA-N 2 2 344.463 1.518 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CCC[N@H+](CCF)CC1 ZINC000998188774 705493889 /nfs/dbraw/zinc/49/38/89/705493889.db2.gz KAPHNASGSLCLRJ-HOTGVXAUSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CCC[N@@H+](CCF)CC1 ZINC000998188774 705493891 /nfs/dbraw/zinc/49/38/91/705493891.db2.gz KAPHNASGSLCLRJ-HOTGVXAUSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CCC[NH+](CCF)CC1 ZINC000998188774 705493892 /nfs/dbraw/zinc/49/38/92/705493892.db2.gz KAPHNASGSLCLRJ-HOTGVXAUSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CCC[NH+](CCF)CC1 ZINC000998188774 705493893 /nfs/dbraw/zinc/49/38/93/705493893.db2.gz KAPHNASGSLCLRJ-HOTGVXAUSA-N 2 2 329.460 1.380 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998222701 705549178 /nfs/dbraw/zinc/54/91/78/705549178.db2.gz JTFPFTJGDAAEJX-UHFFFAOYSA-N 2 2 345.422 1.525 20 0 EDADLP CC(C)(C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)c1c[nH+]c[nH]1 ZINC000998222621 705549386 /nfs/dbraw/zinc/54/93/86/705549386.db2.gz JIEDAHGNAFYRBA-MRXNPFEDSA-N 2 2 348.491 1.942 20 0 EDADLP CC(C)(C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)c1c[nH+]c[nH]1 ZINC000998224030 705552267 /nfs/dbraw/zinc/55/22/67/705552267.db2.gz VXSMCNGGGRQKHB-UHFFFAOYSA-N 2 2 348.476 1.567 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000998243175 705586900 /nfs/dbraw/zinc/58/69/00/705586900.db2.gz DLRAOTRZBRYJKK-APWZRJJASA-N 2 2 346.475 1.515 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2cnoc2C)CC1 ZINC000998243261 705586941 /nfs/dbraw/zinc/58/69/41/705586941.db2.gz FWBPMSBOLABIQT-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CC2)CC1)c1cccnc1 ZINC000998290887 705691808 /nfs/dbraw/zinc/69/18/08/705691808.db2.gz ZAVOFZJQGZHTMH-GOSISDBHSA-N 2 2 330.476 1.923 20 0 EDADLP Cc1ncsc1C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000998297919 705701145 /nfs/dbraw/zinc/70/11/45/705701145.db2.gz QQBHAFATZPVCEW-UHFFFAOYSA-N 2 2 333.461 1.676 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1)c1csnn1 ZINC000998297879 705701418 /nfs/dbraw/zinc/70/14/18/705701418.db2.gz PMNGEBBIQNVSTC-GFCCVEGCSA-N 2 2 334.449 1.324 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998940190 706361788 /nfs/dbraw/zinc/36/17/88/706361788.db2.gz UMDJTLKRPYHBNK-QDIHITRGSA-N 2 2 332.448 1.519 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998940190 706361791 /nfs/dbraw/zinc/36/17/91/706361791.db2.gz UMDJTLKRPYHBNK-QDIHITRGSA-N 2 2 332.448 1.519 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)on1 ZINC000999006766 706426039 /nfs/dbraw/zinc/42/60/39/706426039.db2.gz FCVKKPXPCJKRTR-NFOMZHRRSA-N 2 2 343.431 1.521 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000999038219 706454110 /nfs/dbraw/zinc/45/41/10/706454110.db2.gz FQVIWIRJGMCUFG-LSDHHAIUSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)c1csnn1 ZINC000999380893 706874655 /nfs/dbraw/zinc/87/46/55/706874655.db2.gz XPDZEVGSBIRIRU-QWHCGFSZSA-N 2 2 337.493 1.664 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1csnn1 ZINC000999380893 706874658 /nfs/dbraw/zinc/87/46/58/706874658.db2.gz XPDZEVGSBIRIRU-QWHCGFSZSA-N 2 2 337.493 1.664 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)co1 ZINC000999368242 706882134 /nfs/dbraw/zinc/88/21/34/706882134.db2.gz GNQLRUTWDUOKOV-HOCLYGCPSA-N 2 2 343.431 1.838 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1)C1CC1 ZINC000999369774 706883514 /nfs/dbraw/zinc/88/35/14/706883514.db2.gz KKZNSEDNGUVIOW-GOEBONIOSA-N 2 2 347.463 1.368 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999370659 706884553 /nfs/dbraw/zinc/88/45/53/706884553.db2.gz KZZAHQCSVMQRAT-CZUORRHYSA-N 2 2 335.452 1.053 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)no1 ZINC000999404770 706913104 /nfs/dbraw/zinc/91/31/04/706913104.db2.gz CDRFMEUZCOCUKX-NFOMZHRRSA-N 2 2 349.479 1.585 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)no1 ZINC000999404770 706913107 /nfs/dbraw/zinc/91/31/07/706913107.db2.gz CDRFMEUZCOCUKX-NFOMZHRRSA-N 2 2 349.479 1.585 20 0 EDADLP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000999413719 706923482 /nfs/dbraw/zinc/92/34/82/706923482.db2.gz UBKUAZPPNLRZST-ARFHVFGLSA-N 2 2 342.447 1.070 20 0 EDADLP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000999413719 706923484 /nfs/dbraw/zinc/92/34/84/706923484.db2.gz UBKUAZPPNLRZST-ARFHVFGLSA-N 2 2 342.447 1.070 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999534980 707035684 /nfs/dbraw/zinc/03/56/84/707035684.db2.gz IUFOUVQDQTVYFG-IRXDYDNUSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999550274 707049804 /nfs/dbraw/zinc/04/98/04/707049804.db2.gz VNDDWJCUVJHDFF-KGLIPLIRSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)on1 ZINC000999551019 707050147 /nfs/dbraw/zinc/05/01/47/707050147.db2.gz XREWOFDMIOEHAE-GJZGRUSLSA-N 2 2 343.431 1.523 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946776736 707211684 /nfs/dbraw/zinc/21/16/84/707211684.db2.gz SBPFJFYEZKRWHG-WCVJEAGWSA-N 2 2 346.475 1.381 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946776736 707211687 /nfs/dbraw/zinc/21/16/87/707211687.db2.gz SBPFJFYEZKRWHG-WCVJEAGWSA-N 2 2 346.475 1.381 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033266004 707290963 /nfs/dbraw/zinc/29/09/63/707290963.db2.gz LZOHOAUYJQYSPW-MRXNPFEDSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033266004 707290971 /nfs/dbraw/zinc/29/09/71/707290971.db2.gz LZOHOAUYJQYSPW-MRXNPFEDSA-N 2 2 328.420 1.023 20 0 EDADLP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]Cc2nncs2)C1 ZINC000999795411 707366781 /nfs/dbraw/zinc/36/67/81/707366781.db2.gz YTXPBBQMBJPSEM-HOCLYGCPSA-N 2 2 349.504 1.493 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999796385 707367903 /nfs/dbraw/zinc/36/79/03/707367903.db2.gz DFZQKCKMKINKKZ-OALUTQOASA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999796385 707367911 /nfs/dbraw/zinc/36/79/11/707367911.db2.gz DFZQKCKMKINKKZ-OALUTQOASA-N 2 2 349.519 1.868 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999878754 707528763 /nfs/dbraw/zinc/52/87/63/707528763.db2.gz CYFAOQRMSNSUCK-CQSZACIVSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1nonc1C ZINC001004897760 707614339 /nfs/dbraw/zinc/61/43/39/707614339.db2.gz QSHDKCFVEAREFT-GDBMZVCRSA-N 2 2 346.435 1.442 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033207205 707638960 /nfs/dbraw/zinc/63/89/60/707638960.db2.gz JTOSAHBNXJNAJI-IRXDYDNUSA-N 2 2 339.443 1.573 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033207205 707638963 /nfs/dbraw/zinc/63/89/63/707638963.db2.gz JTOSAHBNXJNAJI-IRXDYDNUSA-N 2 2 339.443 1.573 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(F)c2)C1 ZINC001032731073 707731945 /nfs/dbraw/zinc/73/19/45/707731945.db2.gz YSRJEFDTJNZDAA-NJAFHUGGSA-N 2 2 331.435 1.953 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(F)c2)C1 ZINC001032731073 707731947 /nfs/dbraw/zinc/73/19/47/707731947.db2.gz YSRJEFDTJNZDAA-NJAFHUGGSA-N 2 2 331.435 1.953 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(F)c2)C1 ZINC001032731073 707731949 /nfs/dbraw/zinc/73/19/49/707731949.db2.gz YSRJEFDTJNZDAA-NJAFHUGGSA-N 2 2 331.435 1.953 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(F)c2)C1 ZINC001032731073 707731951 /nfs/dbraw/zinc/73/19/51/707731951.db2.gz YSRJEFDTJNZDAA-NJAFHUGGSA-N 2 2 331.435 1.953 20 0 EDADLP CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C)OC ZINC001032735946 707754787 /nfs/dbraw/zinc/75/47/87/707754787.db2.gz KOYXDWQFOWUCGJ-SOUVJXGZSA-N 2 2 332.448 1.471 20 0 EDADLP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C)OC ZINC001032735946 707754790 /nfs/dbraw/zinc/75/47/90/707754790.db2.gz KOYXDWQFOWUCGJ-SOUVJXGZSA-N 2 2 332.448 1.471 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)no1 ZINC001004972852 707800113 /nfs/dbraw/zinc/80/01/13/707800113.db2.gz BDNYHJPRTQOYQP-YOEHRIQHSA-N 2 2 345.447 1.818 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnn(CCF)c2)nc[nH+]1 ZINC000921700061 707822513 /nfs/dbraw/zinc/82/25/13/707822513.db2.gz FPHHIQXYKZEFMM-CQSZACIVSA-N 2 2 333.415 1.443 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)s1 ZINC001033420141 707830020 /nfs/dbraw/zinc/83/00/20/707830020.db2.gz MRHMKCZGWKBSMI-HIFRSBDPSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)s1 ZINC001033420141 707830023 /nfs/dbraw/zinc/83/00/23/707830023.db2.gz MRHMKCZGWKBSMI-HIFRSBDPSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)s1 ZINC001033420141 707830025 /nfs/dbraw/zinc/83/00/25/707830025.db2.gz MRHMKCZGWKBSMI-HIFRSBDPSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)s1 ZINC001033420141 707830028 /nfs/dbraw/zinc/83/00/28/707830028.db2.gz MRHMKCZGWKBSMI-HIFRSBDPSA-N 2 2 336.505 1.826 20 0 EDADLP C[C@@H]([NH2+]Cc1ccns1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004981861 707860025 /nfs/dbraw/zinc/86/00/25/707860025.db2.gz NKWGRZWKOKRDKY-CJNGLKHVSA-N 2 2 347.488 1.979 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001033225891 707862431 /nfs/dbraw/zinc/86/24/31/707862431.db2.gz LWTOLHIOYDRBSW-OAHLLOKOSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC001033225891 707862436 /nfs/dbraw/zinc/86/24/36/707862436.db2.gz LWTOLHIOYDRBSW-OAHLLOKOSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)o1 ZINC001004983721 707866952 /nfs/dbraw/zinc/86/69/52/707866952.db2.gz RUHPMWXGWRYYJS-DYVFJYSZSA-N 2 2 345.447 1.818 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1 ZINC001032759563 707869621 /nfs/dbraw/zinc/86/96/21/707869621.db2.gz SOXKWKIUGSULDA-SZMVWBNQSA-N 2 2 346.475 1.455 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228515 707869661 /nfs/dbraw/zinc/86/96/61/707869661.db2.gz LVEUFVZKQKSYML-CQSZACIVSA-N 2 2 349.504 1.508 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228515 707869662 /nfs/dbraw/zinc/86/96/62/707869662.db2.gz LVEUFVZKQKSYML-CQSZACIVSA-N 2 2 349.504 1.508 20 0 EDADLP CN(C)c1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001033457837 707907435 /nfs/dbraw/zinc/90/74/35/707907435.db2.gz DZDOIDQNZUHCAH-GOSISDBHSA-N 2 2 341.459 1.751 20 0 EDADLP CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000921757247 707984799 /nfs/dbraw/zinc/98/47/99/707984799.db2.gz DRRSWPGCBZFUQV-OWCLPIDISA-N 2 2 341.521 1.183 20 0 EDADLP CCc1cc(NC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)nc(C)[nH+]1 ZINC001060946066 708016501 /nfs/dbraw/zinc/01/65/01/708016501.db2.gz JUSDQANVUAQZII-HNNXBMFYSA-N 2 2 342.447 1.813 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)cc[nH+]1 ZINC001061663810 708113296 /nfs/dbraw/zinc/11/32/96/708113296.db2.gz LVOQQVYUJNZWHH-IRXDYDNUSA-N 2 2 345.491 1.705 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)cc[nH+]1 ZINC001061663810 708113298 /nfs/dbraw/zinc/11/32/98/708113298.db2.gz LVOQQVYUJNZWHH-IRXDYDNUSA-N 2 2 345.491 1.705 20 0 EDADLP CCc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001005177741 708118967 /nfs/dbraw/zinc/11/89/67/708118967.db2.gz DGQDALXYIGZSGB-MRXNPFEDSA-N 2 2 334.464 1.754 20 0 EDADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033580287 708261319 /nfs/dbraw/zinc/26/13/19/708261319.db2.gz TUUKSHFXWLLLFD-INIZCTEOSA-N 2 2 325.416 1.824 20 0 EDADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033580287 708261320 /nfs/dbraw/zinc/26/13/20/708261320.db2.gz TUUKSHFXWLLLFD-INIZCTEOSA-N 2 2 325.416 1.824 20 0 EDADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033581583 708263578 /nfs/dbraw/zinc/26/35/78/708263578.db2.gz ZNTAYPWOIHABKC-OAHLLOKOSA-N 2 2 331.395 1.773 20 0 EDADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033581583 708263580 /nfs/dbraw/zinc/26/35/80/708263580.db2.gz ZNTAYPWOIHABKC-OAHLLOKOSA-N 2 2 331.395 1.773 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001033588826 708283338 /nfs/dbraw/zinc/28/33/38/708283338.db2.gz LFPWGJGPBJBSPM-CABCVRRESA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001033588826 708283341 /nfs/dbraw/zinc/28/33/41/708283341.db2.gz LFPWGJGPBJBSPM-CABCVRRESA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033591380 708289116 /nfs/dbraw/zinc/28/91/16/708289116.db2.gz TVWNQHUMEBPFKT-FUHWJXTLSA-N 2 2 348.491 1.437 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033591380 708289119 /nfs/dbraw/zinc/28/91/19/708289119.db2.gz TVWNQHUMEBPFKT-FUHWJXTLSA-N 2 2 348.491 1.437 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)c(C)o1 ZINC001033593566 708293591 /nfs/dbraw/zinc/29/35/91/708293591.db2.gz ICZULAZGTFIGFL-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)c(C)o1 ZINC001033593566 708293594 /nfs/dbraw/zinc/29/35/94/708293594.db2.gz ICZULAZGTFIGFL-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)o1 ZINC001033593566 708293598 /nfs/dbraw/zinc/29/35/98/708293598.db2.gz ICZULAZGTFIGFL-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)o1 ZINC001033593566 708293599 /nfs/dbraw/zinc/29/35/99/708293599.db2.gz ICZULAZGTFIGFL-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033595427 708299129 /nfs/dbraw/zinc/29/91/29/708299129.db2.gz SQPLSUDLXVQHIP-MRXNPFEDSA-N 2 2 327.432 1.399 20 0 EDADLP Cc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033595427 708299132 /nfs/dbraw/zinc/29/91/32/708299132.db2.gz SQPLSUDLXVQHIP-MRXNPFEDSA-N 2 2 327.432 1.399 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033596251 708301079 /nfs/dbraw/zinc/30/10/79/708301079.db2.gz XJHHSMQMVWZRSB-CQSZACIVSA-N 2 2 347.488 1.769 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033596251 708301082 /nfs/dbraw/zinc/30/10/82/708301082.db2.gz XJHHSMQMVWZRSB-CQSZACIVSA-N 2 2 347.488 1.769 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033596530 708301562 /nfs/dbraw/zinc/30/15/62/708301562.db2.gz ZUWSUDHKVGOONM-GOEBONIOSA-N 2 2 334.464 1.310 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033596530 708301567 /nfs/dbraw/zinc/30/15/67/708301567.db2.gz ZUWSUDHKVGOONM-GOEBONIOSA-N 2 2 334.464 1.310 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033665761 708448808 /nfs/dbraw/zinc/44/88/08/708448808.db2.gz QULAPRQIWBBTBY-HUUCEWRRSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033665761 708448811 /nfs/dbraw/zinc/44/88/11/708448811.db2.gz QULAPRQIWBBTBY-HUUCEWRRSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001033665761 708448814 /nfs/dbraw/zinc/44/88/14/708448814.db2.gz QULAPRQIWBBTBY-HUUCEWRRSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001033665761 708448816 /nfs/dbraw/zinc/44/88/16/708448816.db2.gz QULAPRQIWBBTBY-HUUCEWRRSA-N 2 2 336.867 1.719 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033667382 708454219 /nfs/dbraw/zinc/45/42/19/708454219.db2.gz FYNCHXUXKUOKGH-CYBMUJFWSA-N 2 2 334.449 1.084 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033667382 708454222 /nfs/dbraw/zinc/45/42/22/708454222.db2.gz FYNCHXUXKUOKGH-CYBMUJFWSA-N 2 2 334.449 1.084 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)sn1 ZINC001033667643 708454845 /nfs/dbraw/zinc/45/48/45/708454845.db2.gz IPZTVCBQZWCENJ-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)sn1 ZINC001033667643 708454848 /nfs/dbraw/zinc/45/48/48/708454848.db2.gz IPZTVCBQZWCENJ-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)c(C)s1 ZINC001033667478 708455022 /nfs/dbraw/zinc/45/50/22/708455022.db2.gz GXVNIFKZWCEMNC-OAHLLOKOSA-N 2 2 347.488 1.998 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)c(C)s1 ZINC001033667478 708455024 /nfs/dbraw/zinc/45/50/24/708455024.db2.gz GXVNIFKZWCEMNC-OAHLLOKOSA-N 2 2 347.488 1.998 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033684147 708496360 /nfs/dbraw/zinc/49/63/60/708496360.db2.gz DRYFESSSQKRTIE-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033684147 708496361 /nfs/dbraw/zinc/49/63/61/708496361.db2.gz DRYFESSSQKRTIE-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033684147 708496362 /nfs/dbraw/zinc/49/63/62/708496362.db2.gz DRYFESSSQKRTIE-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033684147 708496363 /nfs/dbraw/zinc/49/63/63/708496363.db2.gz DRYFESSSQKRTIE-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001005384388 708821750 /nfs/dbraw/zinc/82/17/50/708821750.db2.gz MCCIHJPEDSTRTN-QGZVFWFLSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001005384388 708821752 /nfs/dbraw/zinc/82/17/52/708821752.db2.gz MCCIHJPEDSTRTN-QGZVFWFLSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033829930 708850668 /nfs/dbraw/zinc/85/06/68/708850668.db2.gz DAQXJDRCRITUGK-HOTGVXAUSA-N 2 2 348.516 1.908 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033829930 708850671 /nfs/dbraw/zinc/85/06/71/708850671.db2.gz DAQXJDRCRITUGK-HOTGVXAUSA-N 2 2 348.516 1.908 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001033871102 708959911 /nfs/dbraw/zinc/95/99/11/708959911.db2.gz BYDZLURIVHDJEP-GXTWGEPZSA-N 2 2 343.431 1.234 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001033871102 708959914 /nfs/dbraw/zinc/95/99/14/708959914.db2.gz BYDZLURIVHDJEP-GXTWGEPZSA-N 2 2 343.431 1.234 20 0 EDADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034008726 709219311 /nfs/dbraw/zinc/21/93/11/709219311.db2.gz BRYGHUNMLAGSRU-GDBMZVCRSA-N 2 2 343.431 1.185 20 0 EDADLP Cc1nnsc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034131097 709401099 /nfs/dbraw/zinc/40/10/99/709401099.db2.gz LIMMKOCVYVGMEN-ZIAGYGMSSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034131097 709401100 /nfs/dbraw/zinc/40/11/00/709401100.db2.gz LIMMKOCVYVGMEN-ZIAGYGMSSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034131097 709401103 /nfs/dbraw/zinc/40/11/03/709401103.db2.gz LIMMKOCVYVGMEN-ZIAGYGMSSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034131097 709401106 /nfs/dbraw/zinc/40/11/06/709401106.db2.gz LIMMKOCVYVGMEN-ZIAGYGMSSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC001002802813 709405243 /nfs/dbraw/zinc/40/52/43/709405243.db2.gz OVHYONATHOJDCA-GDBMZVCRSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)o1 ZINC001002802813 709405245 /nfs/dbraw/zinc/40/52/45/709405245.db2.gz OVHYONATHOJDCA-GDBMZVCRSA-N 2 2 347.463 1.333 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)n1 ZINC001002803295 709405794 /nfs/dbraw/zinc/40/57/94/709405794.db2.gz UUUUQEYOGFINLH-YJBOKZPZSA-N 2 2 345.491 1.375 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001002803295 709405795 /nfs/dbraw/zinc/40/57/95/709405795.db2.gz UUUUQEYOGFINLH-YJBOKZPZSA-N 2 2 345.491 1.375 20 0 EDADLP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001002843909 709455696 /nfs/dbraw/zinc/45/56/96/709455696.db2.gz AWMVOYFHZLYJAJ-HLLBOEOZSA-N 2 2 346.475 1.115 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001002861193 709464823 /nfs/dbraw/zinc/46/48/23/709464823.db2.gz VRCLUPFJBLUWMD-GDBMZVCRSA-N 2 2 348.495 1.027 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001002861193 709464824 /nfs/dbraw/zinc/46/48/24/709464824.db2.gz VRCLUPFJBLUWMD-GDBMZVCRSA-N 2 2 348.495 1.027 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034218754 709575692 /nfs/dbraw/zinc/57/56/92/709575692.db2.gz IHWNRBNDJDCTRK-HNNXBMFYSA-N 2 2 334.464 1.115 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034218754 709575694 /nfs/dbraw/zinc/57/56/94/709575694.db2.gz IHWNRBNDJDCTRK-HNNXBMFYSA-N 2 2 334.464 1.115 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NCC2([NH+](C)C)CCC2)n1 ZINC000922117186 709748513 /nfs/dbraw/zinc/74/85/13/709748513.db2.gz OCRSXFVCQLHMCA-UHFFFAOYSA-N 2 2 325.482 1.488 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2snnc2C)C1 ZINC001034309345 709751269 /nfs/dbraw/zinc/75/12/69/709751269.db2.gz KSLYKDLPWGBNDT-CQSZACIVSA-N 2 2 348.476 1.522 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2snnc2C)C1 ZINC001034309345 709751270 /nfs/dbraw/zinc/75/12/70/709751270.db2.gz KSLYKDLPWGBNDT-CQSZACIVSA-N 2 2 348.476 1.522 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCCO2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001003191322 710087295 /nfs/dbraw/zinc/08/72/95/710087295.db2.gz XTVNZCYEXVZUEK-RDJZCZTQSA-N 2 2 346.475 1.595 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](Cc2cscn2)C1)C12CC[NH+](CC1)C2 ZINC001034490746 710109991 /nfs/dbraw/zinc/10/99/91/710109991.db2.gz MCKDAADGDQULQR-CQSZACIVSA-N 2 2 334.489 1.710 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](Cc2cscn2)C1)C12CC[NH+](CC1)C2 ZINC001034490746 710109993 /nfs/dbraw/zinc/10/99/93/710109993.db2.gz MCKDAADGDQULQR-CQSZACIVSA-N 2 2 334.489 1.710 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034527096 710179979 /nfs/dbraw/zinc/17/99/79/710179979.db2.gz DVCSXRPRDFBZJL-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034527096 710179980 /nfs/dbraw/zinc/17/99/80/710179980.db2.gz DVCSXRPRDFBZJL-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP O=C(NC1CC[NH+](CC2CCOCC2)CC1)c1cccc2[nH+]ccn21 ZINC001003294480 710231349 /nfs/dbraw/zinc/23/13/49/710231349.db2.gz ZFZDDECJGDQAPY-UHFFFAOYSA-N 2 2 342.443 1.955 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC001003319486 710248029 /nfs/dbraw/zinc/24/80/29/710248029.db2.gz UGWMRKMDUCBDFI-AWEZNQCLSA-N 2 2 328.420 1.323 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003374563 710292461 /nfs/dbraw/zinc/29/24/61/710292461.db2.gz AASOBUNFJMGVCM-GOSISDBHSA-N 2 2 346.475 1.938 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001003375035 710293091 /nfs/dbraw/zinc/29/30/91/710293091.db2.gz HADPQBNQDIYBLS-QGZVFWFLSA-N 2 2 332.448 1.630 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003629379 710458969 /nfs/dbraw/zinc/45/89/69/710458969.db2.gz ZZCQZVXIWSYIIU-QWHCGFSZSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003629379 710458970 /nfs/dbraw/zinc/45/89/70/710458970.db2.gz ZZCQZVXIWSYIIU-QWHCGFSZSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001003652873 710470265 /nfs/dbraw/zinc/47/02/65/710470265.db2.gz QSXBURQYBJLIFK-HUUCEWRRSA-N 2 2 343.431 1.601 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC001003701551 710495537 /nfs/dbraw/zinc/49/55/37/710495537.db2.gz RPHAUCULQARUJD-GOSISDBHSA-N 2 2 342.443 1.136 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)cc[nH+]1 ZINC001061770650 710607609 /nfs/dbraw/zinc/60/76/09/710607609.db2.gz MNBIXVCGWTUMIZ-SJORKVTESA-N 2 2 345.491 1.848 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)cc[nH+]1 ZINC001061770650 710607611 /nfs/dbraw/zinc/60/76/11/710607611.db2.gz MNBIXVCGWTUMIZ-SJORKVTESA-N 2 2 345.491 1.848 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001034680021 710675881 /nfs/dbraw/zinc/67/58/81/710675881.db2.gz XWUMNXFCFFNVDO-RBSFLKMASA-N 2 2 343.431 1.651 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC001003843073 710679891 /nfs/dbraw/zinc/67/98/91/710679891.db2.gz SQUSRBWKVGGXKT-UHFFFAOYSA-N 2 2 346.406 1.751 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001032943762 710917553 /nfs/dbraw/zinc/91/75/53/710917553.db2.gz HAFCVESHBNTJGD-WMLDXEAASA-N 2 2 346.475 1.680 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001032943762 710917556 /nfs/dbraw/zinc/91/75/56/710917556.db2.gz HAFCVESHBNTJGD-WMLDXEAASA-N 2 2 346.475 1.680 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2noc3c2CCCC3)C1 ZINC001032943762 710917560 /nfs/dbraw/zinc/91/75/60/710917560.db2.gz HAFCVESHBNTJGD-WMLDXEAASA-N 2 2 346.475 1.680 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2noc3c2CCCC3)C1 ZINC001032943762 710917565 /nfs/dbraw/zinc/91/75/65/710917565.db2.gz HAFCVESHBNTJGD-WMLDXEAASA-N 2 2 346.475 1.680 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034737297 710949199 /nfs/dbraw/zinc/94/91/99/710949199.db2.gz VHAWDTYFXMDUGP-SMLCLMEVSA-N 2 2 346.475 1.577 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)cn1 ZINC001034776658 711054188 /nfs/dbraw/zinc/05/41/88/711054188.db2.gz WIQDZYUQOWIJSV-SHTZXODSSA-N 2 2 342.447 1.278 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c(C)[nH+]1 ZINC001061364428 711144997 /nfs/dbraw/zinc/14/49/97/711144997.db2.gz JJOFGWAZYRMPGH-HZPDHXFCSA-N 2 2 331.464 1.439 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)c(C)[nH+]1 ZINC001061364428 711145001 /nfs/dbraw/zinc/14/50/01/711145001.db2.gz JJOFGWAZYRMPGH-HZPDHXFCSA-N 2 2 331.464 1.439 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]ccn32)no1 ZINC001034958508 711432393 /nfs/dbraw/zinc/43/23/93/711432393.db2.gz JRBBQKCQAZZHMR-CVEARBPZSA-N 2 2 343.431 1.838 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(C3CC3)no2)CC[N@@H+]1C ZINC001034939457 711441534 /nfs/dbraw/zinc/44/15/34/711441534.db2.gz BANQDKHHOKIAJZ-BPLDGKMQSA-N 2 2 347.463 1.368 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(C3CC3)no2)CC[N@H+]1C ZINC001034939457 711441535 /nfs/dbraw/zinc/44/15/35/711441535.db2.gz BANQDKHHOKIAJZ-BPLDGKMQSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)oc1C ZINC001004152384 711570909 /nfs/dbraw/zinc/57/09/09/711570909.db2.gz QTRLUXUOIOVMQP-UHFFFAOYSA-N 2 2 331.420 1.577 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627160 712084900 /nfs/dbraw/zinc/08/49/00/712084900.db2.gz WFBYNTDRASRKBJ-RDJZCZTQSA-N 2 2 334.464 1.621 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627160 712084903 /nfs/dbraw/zinc/08/49/03/712084903.db2.gz WFBYNTDRASRKBJ-RDJZCZTQSA-N 2 2 334.464 1.621 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)CC1 ZINC000051484413 214095331 /nfs/dbraw/zinc/09/53/31/214095331.db2.gz GBPHRDDAGSPUBM-UHFFFAOYSA-N 2 2 342.443 1.421 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000052523991 214132870 /nfs/dbraw/zinc/13/28/70/214132870.db2.gz OHVCVRSWAHQPBN-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000052523991 214132872 /nfs/dbraw/zinc/13/28/72/214132872.db2.gz OHVCVRSWAHQPBN-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000115823116 299070475 /nfs/dbraw/zinc/07/04/75/299070475.db2.gz IANUPECACQYXOW-HRCADAONSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000115823116 299070477 /nfs/dbraw/zinc/07/04/77/299070477.db2.gz IANUPECACQYXOW-HRCADAONSA-N 2 2 326.485 1.079 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000131715883 529385726 /nfs/dbraw/zinc/38/57/26/529385726.db2.gz FJJQMLKMMLOZHJ-QZTJIDSGSA-N 2 2 333.476 1.595 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000131715883 529385728 /nfs/dbraw/zinc/38/57/28/529385728.db2.gz FJJQMLKMMLOZHJ-QZTJIDSGSA-N 2 2 333.476 1.595 20 0 EDADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCCNc1cccc[nH+]1 ZINC000173955000 231081207 /nfs/dbraw/zinc/08/12/07/231081207.db2.gz IQEAQIPHSNAIPX-MRXNPFEDSA-N 2 2 349.479 1.636 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000558529738 306239082 /nfs/dbraw/zinc/23/90/82/306239082.db2.gz QVXMDOPBTSGMKC-AWEZNQCLSA-N 2 2 332.448 1.830 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000342690865 282257452 /nfs/dbraw/zinc/25/74/52/282257452.db2.gz YUIOKGKOJHYMRZ-JCGIZDLHSA-N 2 2 337.508 1.722 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000342690865 282257454 /nfs/dbraw/zinc/25/74/54/282257454.db2.gz YUIOKGKOJHYMRZ-JCGIZDLHSA-N 2 2 337.508 1.722 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCOC1 ZINC000178352804 529870595 /nfs/dbraw/zinc/87/05/95/529870595.db2.gz PAYOVDYDJDANJR-INIZCTEOSA-N 2 2 332.448 1.089 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCOC1 ZINC000178352804 529870596 /nfs/dbraw/zinc/87/05/96/529870596.db2.gz PAYOVDYDJDANJR-INIZCTEOSA-N 2 2 332.448 1.089 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccsc1 ZINC000171625697 529903894 /nfs/dbraw/zinc/90/38/94/529903894.db2.gz GRCWHXISJRCHLP-UHFFFAOYSA-N 2 2 338.521 1.958 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccsc1 ZINC000171625697 529903895 /nfs/dbraw/zinc/90/38/95/529903895.db2.gz GRCWHXISJRCHLP-UHFFFAOYSA-N 2 2 338.521 1.958 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCCC[C@H]1C ZINC000560501988 306272265 /nfs/dbraw/zinc/27/22/65/306272265.db2.gz RBPBCHUZMGHTLK-TWMKSMIVSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCCC[C@H]1C ZINC000560501988 306272266 /nfs/dbraw/zinc/27/22/66/306272266.db2.gz RBPBCHUZMGHTLK-TWMKSMIVSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@@H+]1CCCC[C@H]1C ZINC000560501988 306272267 /nfs/dbraw/zinc/27/22/67/306272267.db2.gz RBPBCHUZMGHTLK-TWMKSMIVSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+]1CCCC[C@H]1C ZINC000560501988 306272268 /nfs/dbraw/zinc/27/22/68/306272268.db2.gz RBPBCHUZMGHTLK-TWMKSMIVSA-N 2 2 338.496 1.412 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412372820 304002438 /nfs/dbraw/zinc/00/24/38/304002438.db2.gz RACGJIQNVTYZHT-KGLIPLIRSA-N 2 2 327.469 1.154 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412372820 304002440 /nfs/dbraw/zinc/00/24/40/304002440.db2.gz RACGJIQNVTYZHT-KGLIPLIRSA-N 2 2 327.469 1.154 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000561147523 306282758 /nfs/dbraw/zinc/28/27/58/306282758.db2.gz NHTITPQFZVSZNM-LJQANCHMSA-N 2 2 339.443 1.826 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000561457958 306287755 /nfs/dbraw/zinc/28/77/55/306287755.db2.gz PIEPILBWDSQWQU-INIZCTEOSA-N 2 2 348.472 1.646 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000561457958 306287756 /nfs/dbraw/zinc/28/77/56/306287756.db2.gz PIEPILBWDSQWQU-INIZCTEOSA-N 2 2 348.472 1.646 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000561490675 306288530 /nfs/dbraw/zinc/28/85/30/306288530.db2.gz ZOTRTUBCRMCWAG-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000561490675 306288531 /nfs/dbraw/zinc/28/85/31/306288531.db2.gz ZOTRTUBCRMCWAG-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)Cn3cccn3)c2cc1C ZINC000069390120 215397732 /nfs/dbraw/zinc/39/77/32/215397732.db2.gz IWZYKXATVOWPQN-HOTGVXAUSA-N 2 2 327.432 1.889 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000412704195 304029274 /nfs/dbraw/zinc/02/92/74/304029274.db2.gz ZEUNZXNQTMDUKG-IEBWSBKVSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000412704195 304029275 /nfs/dbraw/zinc/02/92/75/304029275.db2.gz ZEUNZXNQTMDUKG-IEBWSBKVSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000412704195 304029277 /nfs/dbraw/zinc/02/92/77/304029277.db2.gz ZEUNZXNQTMDUKG-IEBWSBKVSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000412704195 304029279 /nfs/dbraw/zinc/02/92/79/304029279.db2.gz ZEUNZXNQTMDUKG-IEBWSBKVSA-N 2 2 345.487 1.829 20 0 EDADLP COCC[N@@H+](C)CCCC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000355430696 539956349 /nfs/dbraw/zinc/95/63/49/539956349.db2.gz BKRIFGRUGSNCSO-UHFFFAOYSA-N 2 2 336.480 1.939 20 0 EDADLP COCC[N@H+](C)CCCC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000355430696 539956332 /nfs/dbraw/zinc/95/63/32/539956332.db2.gz BKRIFGRUGSNCSO-UHFFFAOYSA-N 2 2 336.480 1.939 20 0 EDADLP COCC[N@@H+](C)CCCC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000355430696 539956338 /nfs/dbraw/zinc/95/63/38/539956338.db2.gz BKRIFGRUGSNCSO-UHFFFAOYSA-N 2 2 336.480 1.939 20 0 EDADLP COCC[N@H+](C)CCCC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000355430696 539956344 /nfs/dbraw/zinc/95/63/44/539956344.db2.gz BKRIFGRUGSNCSO-UHFFFAOYSA-N 2 2 336.480 1.939 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000562794519 306309257 /nfs/dbraw/zinc/30/92/57/306309257.db2.gz IYIJIXSPZWUEER-OAHLLOKOSA-N 2 2 333.480 1.839 20 0 EDADLP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105090758 219455307 /nfs/dbraw/zinc/45/53/07/219455307.db2.gz YCBXMBYSSVJIGG-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000042951741 138109865 /nfs/dbraw/zinc/10/98/65/138109865.db2.gz VYISSBCQHUDFAP-UHFFFAOYSA-N 2 2 343.431 1.063 20 0 EDADLP CCOCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758404 138135392 /nfs/dbraw/zinc/13/53/92/138135392.db2.gz CFCIGAQPGKLIBN-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[NH+](CC)CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065218182 138172536 /nfs/dbraw/zinc/17/25/36/138172536.db2.gz OCGBUUKTOZHSSU-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCc2ccccc2OC)C1 ZINC000072859182 138211286 /nfs/dbraw/zinc/21/12/86/138211286.db2.gz BGSFDRQHPXUSOW-INIZCTEOSA-N 2 2 333.476 1.628 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCc2ccccc2OC)C1 ZINC000072859182 138211288 /nfs/dbraw/zinc/21/12/88/138211288.db2.gz BGSFDRQHPXUSOW-INIZCTEOSA-N 2 2 333.476 1.628 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCc2ccccc2OC)C1 ZINC000072859182 138211290 /nfs/dbraw/zinc/21/12/90/138211290.db2.gz BGSFDRQHPXUSOW-INIZCTEOSA-N 2 2 333.476 1.628 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccccc2OC)C1 ZINC000072859182 138211292 /nfs/dbraw/zinc/21/12/92/138211292.db2.gz BGSFDRQHPXUSOW-INIZCTEOSA-N 2 2 333.476 1.628 20 0 EDADLP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc12 ZINC000563548908 306338469 /nfs/dbraw/zinc/33/84/69/306338469.db2.gz ATVMORXWUYURBR-MRXNPFEDSA-N 2 2 329.448 1.953 20 0 EDADLP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc12 ZINC000563548908 306338470 /nfs/dbraw/zinc/33/84/70/306338470.db2.gz ATVMORXWUYURBR-MRXNPFEDSA-N 2 2 329.448 1.953 20 0 EDADLP CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]CCC[NH+]1CCC1 ZINC000563548268 306338418 /nfs/dbraw/zinc/33/84/18/306338418.db2.gz DOGHEUNFTTVALN-UHFFFAOYSA-N 2 2 335.496 1.566 20 0 EDADLP COc1cc(OC)cc([C@@H]2CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000093188371 138292386 /nfs/dbraw/zinc/29/23/86/138292386.db2.gz GAGSJPJUKHDQTQ-OAHLLOKOSA-N 2 2 347.459 1.267 20 0 EDADLP COc1cc(OC)cc([C@@H]2CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000093188371 138292387 /nfs/dbraw/zinc/29/23/87/138292387.db2.gz GAGSJPJUKHDQTQ-OAHLLOKOSA-N 2 2 347.459 1.267 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000093204700 138292524 /nfs/dbraw/zinc/29/25/24/138292524.db2.gz YYGTVVOWQTYHBR-UHFFFAOYSA-N 3 2 336.524 1.348 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000093644330 138293960 /nfs/dbraw/zinc/29/39/60/138293960.db2.gz YZDSPXNZEGESLG-CJNGLKHVSA-N 2 2 336.480 1.978 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000093644330 138293961 /nfs/dbraw/zinc/29/39/61/138293961.db2.gz YZDSPXNZEGESLG-CJNGLKHVSA-N 2 2 336.480 1.978 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000093644330 138293962 /nfs/dbraw/zinc/29/39/62/138293962.db2.gz YZDSPXNZEGESLG-CJNGLKHVSA-N 2 2 336.480 1.978 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000093644330 138293963 /nfs/dbraw/zinc/29/39/63/138293963.db2.gz YZDSPXNZEGESLG-CJNGLKHVSA-N 2 2 336.480 1.978 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000124855429 138330078 /nfs/dbraw/zinc/33/00/78/138330078.db2.gz UUCKOUIAAWHKMD-IAGOWNOFSA-N 2 2 340.512 1.376 20 0 EDADLP C[NH+](C)CCNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000124988473 138331268 /nfs/dbraw/zinc/33/12/68/138331268.db2.gz RWHJCWBZIQFIFQ-UHFFFAOYSA-N 2 2 328.372 1.490 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)CC2)cc[nH+]1 ZINC000563625400 306342647 /nfs/dbraw/zinc/34/26/47/306342647.db2.gz NWRNROMNEAGVDD-SFHVURJKSA-N 2 2 337.427 1.321 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH+]cn1 ZINC000563663840 306344274 /nfs/dbraw/zinc/34/42/74/306344274.db2.gz LYTCYMIAGIGBMZ-OWCLPIDISA-N 2 2 331.464 1.264 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc[nH+]1 ZINC000563663840 306344275 /nfs/dbraw/zinc/34/42/75/306344275.db2.gz LYTCYMIAGIGBMZ-OWCLPIDISA-N 2 2 331.464 1.264 20 0 EDADLP CN(C)[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1c(F)cccc1F ZINC000563706165 306345593 /nfs/dbraw/zinc/34/55/93/306345593.db2.gz GKOZDXPUFZRNBI-CJNGLKHVSA-N 2 2 327.419 1.612 20 0 EDADLP CN(C)[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1c(F)cccc1F ZINC000563706165 306345594 /nfs/dbraw/zinc/34/55/94/306345594.db2.gz GKOZDXPUFZRNBI-CJNGLKHVSA-N 2 2 327.419 1.612 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000563850778 306349578 /nfs/dbraw/zinc/34/95/78/306349578.db2.gz HVHUWZKERMYDTR-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000563850778 306349579 /nfs/dbraw/zinc/34/95/79/306349579.db2.gz HVHUWZKERMYDTR-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000563854480 306349938 /nfs/dbraw/zinc/34/99/38/306349938.db2.gz LCXRKAQFBYCZHV-XHSDSOJGSA-N 2 2 332.448 1.205 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000563856347 306350000 /nfs/dbraw/zinc/35/00/00/306350000.db2.gz WWKSWHLHHPITJZ-GOEBONIOSA-N 2 2 326.437 1.502 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000563856347 306350001 /nfs/dbraw/zinc/35/00/01/306350001.db2.gz WWKSWHLHHPITJZ-GOEBONIOSA-N 2 2 326.437 1.502 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000563856347 306350002 /nfs/dbraw/zinc/35/00/02/306350002.db2.gz WWKSWHLHHPITJZ-GOEBONIOSA-N 2 2 326.437 1.502 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000563856347 306350003 /nfs/dbraw/zinc/35/00/03/306350003.db2.gz WWKSWHLHHPITJZ-GOEBONIOSA-N 2 2 326.437 1.502 20 0 EDADLP CCCN1C(=O)CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[C@H]1c1c[nH+]cn1C ZINC000354425517 283312964 /nfs/dbraw/zinc/31/29/64/283312964.db2.gz NWXFVRUFADOKMN-ZQIUZPCESA-N 2 2 349.479 1.176 20 0 EDADLP C[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000174438588 138683117 /nfs/dbraw/zinc/68/31/17/138683117.db2.gz VUHJVYNUFRCNPI-UHFFFAOYSA-N 2 2 331.460 1.477 20 0 EDADLP CCCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346919131 283381120 /nfs/dbraw/zinc/38/11/20/283381120.db2.gz INTCDVWXZKACMS-ZMSDIMECSA-N 2 2 335.496 1.650 20 0 EDADLP CCCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346919131 283381121 /nfs/dbraw/zinc/38/11/21/283381121.db2.gz INTCDVWXZKACMS-ZMSDIMECSA-N 2 2 335.496 1.650 20 0 EDADLP CCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346919131 283381122 /nfs/dbraw/zinc/38/11/22/283381122.db2.gz INTCDVWXZKACMS-ZMSDIMECSA-N 2 2 335.496 1.650 20 0 EDADLP CCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346919131 283381123 /nfs/dbraw/zinc/38/11/23/283381123.db2.gz INTCDVWXZKACMS-ZMSDIMECSA-N 2 2 335.496 1.650 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000416988287 283388106 /nfs/dbraw/zinc/38/81/06/283388106.db2.gz CJENGZAYDZEKKI-SFHVURJKSA-N 2 2 348.491 1.667 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000564553926 306360487 /nfs/dbraw/zinc/36/04/87/306360487.db2.gz KPLGELNEPSQHHR-SUKQMUEJSA-N 2 2 347.459 1.307 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000564728411 306364174 /nfs/dbraw/zinc/36/41/74/306364174.db2.gz HTTYAPMIOHFANR-NEPJUHHUSA-N 2 2 329.404 1.268 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792197 296002236 /nfs/dbraw/zinc/00/22/36/296002236.db2.gz QXSAGPJINUDPNU-ROUUACIJSA-N 3 2 338.540 1.293 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000131153066 223209686 /nfs/dbraw/zinc/20/96/86/223209686.db2.gz KTSAUPUWWWIHKB-UHFFFAOYSA-N 2 2 327.432 1.303 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C)CC2)[NH+]2CCOCC2)cc1 ZINC000073000708 216339030 /nfs/dbraw/zinc/33/90/30/216339030.db2.gz OXZJSURFHJFLND-LJQANCHMSA-N 2 2 345.487 1.826 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc2c1OC(F)(F)O2)C[NH+]1CCCCC1 ZINC000414326352 304106354 /nfs/dbraw/zinc/10/63/54/304106354.db2.gz XYJUZCAEYBKXTH-CYBMUJFWSA-N 2 2 328.359 1.945 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000565784216 306391808 /nfs/dbraw/zinc/39/18/08/306391808.db2.gz VMIATBZKSYTUSI-GXTWGEPZSA-N 2 2 330.432 1.329 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000565784216 306391809 /nfs/dbraw/zinc/39/18/09/306391809.db2.gz VMIATBZKSYTUSI-GXTWGEPZSA-N 2 2 330.432 1.329 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@H](C(=O)N(C)C)C3)sc2C1 ZINC000414503211 304120839 /nfs/dbraw/zinc/12/08/39/304120839.db2.gz VWFHJPGYYYWYFW-ZDUSSCGKSA-N 2 2 336.505 1.820 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@H](C(=O)N(C)C)C3)sc2C1 ZINC000414503211 304120840 /nfs/dbraw/zinc/12/08/40/304120840.db2.gz VWFHJPGYYYWYFW-ZDUSSCGKSA-N 2 2 336.505 1.820 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@H](C(=O)N(C)C)C3)sc2C1 ZINC000414503211 304120841 /nfs/dbraw/zinc/12/08/41/304120841.db2.gz VWFHJPGYYYWYFW-ZDUSSCGKSA-N 2 2 336.505 1.820 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@H](C(=O)N(C)C)C3)sc2C1 ZINC000414503211 304120842 /nfs/dbraw/zinc/12/08/42/304120842.db2.gz VWFHJPGYYYWYFW-ZDUSSCGKSA-N 2 2 336.505 1.820 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)c1nccn1C ZINC000345294889 299356274 /nfs/dbraw/zinc/35/62/74/299356274.db2.gz CSMCBBGOSXASMC-QEORTHHSSA-N 2 2 342.447 1.699 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000566567815 306419963 /nfs/dbraw/zinc/41/99/63/306419963.db2.gz XZOHEBQAHACTRA-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333551082 284122582 /nfs/dbraw/zinc/12/25/82/284122582.db2.gz KGDDUMCKWTXDAS-BZUAXINKSA-N 2 2 331.464 1.762 20 0 EDADLP Brc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCO1)OCO2 ZINC000415094967 304159217 /nfs/dbraw/zinc/15/92/17/304159217.db2.gz LCOBPCNJCIKPFB-SNVBAGLBSA-N 2 2 329.194 1.256 20 0 EDADLP COc1ccc(CC[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000195189399 139009644 /nfs/dbraw/zinc/00/96/44/139009644.db2.gz FRPKAYBMCRSCCE-SFHVURJKSA-N 2 2 331.460 1.476 20 0 EDADLP COc1ccc(CC[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000195189399 139009645 /nfs/dbraw/zinc/00/96/45/139009645.db2.gz FRPKAYBMCRSCCE-SFHVURJKSA-N 2 2 331.460 1.476 20 0 EDADLP Brc1ccc2[nH+]cc(CN3CCO[C@@H]4C[NH2+]C[C@@H]43)n2c1 ZINC000415141057 304163497 /nfs/dbraw/zinc/16/34/97/304163497.db2.gz MFRSHMNOKVXHIB-QWHCGFSZSA-N 2 2 337.221 1.269 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000236885706 139034063 /nfs/dbraw/zinc/03/40/63/139034063.db2.gz ZFIKRLISFWRQSP-CYBMUJFWSA-N 2 2 335.477 1.220 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000236972527 139037032 /nfs/dbraw/zinc/03/70/32/139037032.db2.gz KKXZAINRFKASCT-QGZVFWFLSA-N 2 2 335.448 1.141 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)c1c(F)cccc1F ZINC000237137753 139042026 /nfs/dbraw/zinc/04/20/26/139042026.db2.gz DONOUNZQCYBDLY-DOMZBBRYSA-N 2 2 341.402 1.452 20 0 EDADLP CN(C)C(=O)CN1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000237153967 139042463 /nfs/dbraw/zinc/04/24/63/139042463.db2.gz NACHDQNWIFIOBD-UHFFFAOYSA-N 2 2 345.491 1.193 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)cc(OC)c1 ZINC000237303018 139047133 /nfs/dbraw/zinc/04/71/33/139047133.db2.gz ZXWKRERGGWOYGD-JKSUJKDBSA-N 2 2 347.459 1.475 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000110922396 220080809 /nfs/dbraw/zinc/08/08/09/220080809.db2.gz ODUXDSKTRHUZAU-GOSISDBHSA-N 2 2 333.476 1.860 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000110922396 220080811 /nfs/dbraw/zinc/08/08/11/220080811.db2.gz ODUXDSKTRHUZAU-GOSISDBHSA-N 2 2 333.476 1.860 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237406523 139050255 /nfs/dbraw/zinc/05/02/55/139050255.db2.gz IDQGIGWDKGZDTP-RYQLBKOJSA-N 2 2 331.460 1.646 20 0 EDADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567444121 306451785 /nfs/dbraw/zinc/45/17/85/306451785.db2.gz DIXHCSLXSQTXCK-AWEZNQCLSA-N 2 2 345.422 1.890 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000111241233 220121687 /nfs/dbraw/zinc/12/16/87/220121687.db2.gz ZODQQJLDHJHGPE-SFHVURJKSA-N 2 2 345.487 1.913 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000111241233 220121692 /nfs/dbraw/zinc/12/16/92/220121692.db2.gz ZODQQJLDHJHGPE-SFHVURJKSA-N 2 2 345.487 1.913 20 0 EDADLP C[C@@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCCC[NH2+]1 ZINC000237580514 139054734 /nfs/dbraw/zinc/05/47/34/139054734.db2.gz GEATWTKPHJFYMH-IBGZPJMESA-N 2 2 348.466 1.596 20 0 EDADLP [NH3+][C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000238026211 139066958 /nfs/dbraw/zinc/06/69/58/139066958.db2.gz MZUTVEJAIVSCFP-IBGZPJMESA-N 2 2 339.439 1.835 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111868088 220214316 /nfs/dbraw/zinc/21/43/16/220214316.db2.gz VWDAQQPGYQFAKC-INIZCTEOSA-N 2 2 335.452 1.340 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111868088 220214324 /nfs/dbraw/zinc/21/43/24/220214324.db2.gz VWDAQQPGYQFAKC-INIZCTEOSA-N 2 2 335.452 1.340 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000245438414 139074632 /nfs/dbraw/zinc/07/46/32/139074632.db2.gz SDPMXZVCRBWCKC-DOTOQJQBSA-N 2 2 339.505 1.627 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000245438414 139074633 /nfs/dbraw/zinc/07/46/33/139074633.db2.gz SDPMXZVCRBWCKC-DOTOQJQBSA-N 2 2 339.505 1.627 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000245438414 139074634 /nfs/dbraw/zinc/07/46/34/139074634.db2.gz SDPMXZVCRBWCKC-DOTOQJQBSA-N 2 2 339.505 1.627 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000245438414 139074635 /nfs/dbraw/zinc/07/46/35/139074635.db2.gz SDPMXZVCRBWCKC-DOTOQJQBSA-N 2 2 339.505 1.627 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245454735 139075683 /nfs/dbraw/zinc/07/56/83/139075683.db2.gz SDNYGAANYRULES-GOEBONIOSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245454735 139075684 /nfs/dbraw/zinc/07/56/84/139075684.db2.gz SDNYGAANYRULES-GOEBONIOSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245454735 139075685 /nfs/dbraw/zinc/07/56/85/139075685.db2.gz SDNYGAANYRULES-GOEBONIOSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245454735 139075686 /nfs/dbraw/zinc/07/56/86/139075686.db2.gz SDNYGAANYRULES-GOEBONIOSA-N 2 2 332.448 1.284 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)[nH+]1 ZINC000415288821 304186579 /nfs/dbraw/zinc/18/65/79/304186579.db2.gz YLGIMGNHWKUNLW-ZDUSSCGKSA-N 2 2 345.369 1.656 20 0 EDADLP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CC2 ZINC000246972678 139129262 /nfs/dbraw/zinc/12/92/62/139129262.db2.gz JPSPPRJKHUCEGQ-OLMNPRSZSA-N 2 2 340.475 1.797 20 0 EDADLP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CC2 ZINC000246972678 139129263 /nfs/dbraw/zinc/12/92/63/139129263.db2.gz JPSPPRJKHUCEGQ-OLMNPRSZSA-N 2 2 340.475 1.797 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000114826158 296241939 /nfs/dbraw/zinc/24/19/39/296241939.db2.gz OCGNNKYFMZKHDD-DOTOQJQBSA-N 2 2 331.464 1.564 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000114826158 296241941 /nfs/dbraw/zinc/24/19/41/296241941.db2.gz OCGNNKYFMZKHDD-DOTOQJQBSA-N 2 2 331.464 1.564 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247133690 139137088 /nfs/dbraw/zinc/13/70/88/139137088.db2.gz JMBPAEOOCRGRSL-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247133690 139137089 /nfs/dbraw/zinc/13/70/89/139137089.db2.gz JMBPAEOOCRGRSL-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000247371495 139146319 /nfs/dbraw/zinc/14/63/19/139146319.db2.gz RYLWCUXWTXYFHY-CABCVRRESA-N 2 2 332.448 1.997 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000247371495 139146320 /nfs/dbraw/zinc/14/63/20/139146320.db2.gz RYLWCUXWTXYFHY-CABCVRRESA-N 2 2 332.448 1.997 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000247371495 139146321 /nfs/dbraw/zinc/14/63/21/139146321.db2.gz RYLWCUXWTXYFHY-CABCVRRESA-N 2 2 332.448 1.997 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000247371495 139146322 /nfs/dbraw/zinc/14/63/22/139146322.db2.gz RYLWCUXWTXYFHY-CABCVRRESA-N 2 2 332.448 1.997 20 0 EDADLP C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000247772945 139154922 /nfs/dbraw/zinc/15/49/22/139154922.db2.gz WJRHPEJRDSKFDS-INMHGKMJSA-N 2 2 331.464 1.960 20 0 EDADLP C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000247772945 139154923 /nfs/dbraw/zinc/15/49/23/139154923.db2.gz WJRHPEJRDSKFDS-INMHGKMJSA-N 2 2 331.464 1.960 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)o1 ZINC000093133321 218197076 /nfs/dbraw/zinc/19/70/76/218197076.db2.gz NJNNTRXDMOXSLL-HNNXBMFYSA-N 2 2 335.448 1.668 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)o1 ZINC000093133321 218197079 /nfs/dbraw/zinc/19/70/79/218197079.db2.gz NJNNTRXDMOXSLL-HNNXBMFYSA-N 2 2 335.448 1.668 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261719157 139220275 /nfs/dbraw/zinc/22/02/75/139220275.db2.gz JYWQBALTPORPTH-OAHLLOKOSA-N 2 2 340.265 1.787 20 0 EDADLP CCCN(CC[NH+]1CCCC1)c1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413286460 250712122 /nfs/dbraw/zinc/71/21/22/250712122.db2.gz YZIUXCURLYJNKL-IRXDYDNUSA-N 2 2 347.507 1.996 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)C[C@H]3CCC[NH2+]C3)C2=O)c1 ZINC000261792238 139226412 /nfs/dbraw/zinc/22/64/12/139226412.db2.gz GGTGRNDESOUQAA-KSSFIOAISA-N 2 2 347.459 1.741 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)C[C@H]3CCC[NH2+]C3)C2=O)c1 ZINC000261792238 139226413 /nfs/dbraw/zinc/22/64/13/139226413.db2.gz GGTGRNDESOUQAA-KSSFIOAISA-N 2 2 347.459 1.741 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261869692 139232847 /nfs/dbraw/zinc/23/28/47/139232847.db2.gz NYJPKLJEJIHHFJ-UHFFFAOYSA-N 2 2 346.475 1.271 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000261937132 139238463 /nfs/dbraw/zinc/23/84/63/139238463.db2.gz UCLHGMRVJIBOPH-SQNIBIBYSA-N 2 2 328.460 1.647 20 0 EDADLP COc1ccc(CN2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)CC2=O)cc1 ZINC000262089346 139249920 /nfs/dbraw/zinc/24/99/20/139249920.db2.gz URHURSSZHOIGHC-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CN2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)CC2=O)cc1 ZINC000262089346 139249921 /nfs/dbraw/zinc/24/99/21/139249921.db2.gz URHURSSZHOIGHC-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262079535 139249180 /nfs/dbraw/zinc/24/91/80/139249180.db2.gz SWBXVPXYIZIDDH-HNAYVOBHSA-N 2 2 348.466 1.770 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@H+](C)C1 ZINC000416789830 251110054 /nfs/dbraw/zinc/11/00/54/251110054.db2.gz FBTGGKKUKGUGBF-ZDUSSCGKSA-N 2 2 345.403 1.211 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@@H+](C)C1 ZINC000416789830 251110057 /nfs/dbraw/zinc/11/00/57/251110057.db2.gz FBTGGKKUKGUGBF-ZDUSSCGKSA-N 2 2 345.403 1.211 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000416882608 251118031 /nfs/dbraw/zinc/11/80/31/251118031.db2.gz AIUISGQAKPAAJO-UONOGXRCSA-N 2 2 333.823 1.824 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC000416990756 251118877 /nfs/dbraw/zinc/11/88/77/251118877.db2.gz FQKXMWOYTVQXQS-ZWKOTPCHSA-N 2 2 346.475 1.372 20 0 EDADLP [NH3+][C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000417584001 251198494 /nfs/dbraw/zinc/19/84/94/251198494.db2.gz LSTQSDCQNKVRIH-CHWSQXEVSA-N 2 2 338.402 1.672 20 0 EDADLP [NH3+][C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000417584001 251198497 /nfs/dbraw/zinc/19/84/97/251198497.db2.gz LSTQSDCQNKVRIH-CHWSQXEVSA-N 2 2 338.402 1.672 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417592872 251201927 /nfs/dbraw/zinc/20/19/27/251201927.db2.gz YOPKHGWLZCXNDL-CHWSQXEVSA-N 2 2 340.418 1.918 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417592872 251201931 /nfs/dbraw/zinc/20/19/31/251201931.db2.gz YOPKHGWLZCXNDL-CHWSQXEVSA-N 2 2 340.418 1.918 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000417663885 251219879 /nfs/dbraw/zinc/21/98/79/251219879.db2.gz VQLADHPOODHVRG-RISCZKNCSA-N 2 2 326.391 1.700 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000417770029 251262191 /nfs/dbraw/zinc/26/21/91/251262191.db2.gz FAMVMCDEJYUVGV-KGLIPLIRSA-N 2 2 349.483 1.304 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000417770029 251262195 /nfs/dbraw/zinc/26/21/95/251262195.db2.gz FAMVMCDEJYUVGV-KGLIPLIRSA-N 2 2 349.483 1.304 20 0 EDADLP CCn1cncc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417867483 251305560 /nfs/dbraw/zinc/30/55/60/251305560.db2.gz BMQWVTFDRIJYQA-UHFFFAOYSA-N 2 2 344.459 1.904 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417944550 251317085 /nfs/dbraw/zinc/31/70/85/251317085.db2.gz CMBYTUFZWAXNLI-GLQYFDAESA-N 2 2 326.391 1.747 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417944550 251317087 /nfs/dbraw/zinc/31/70/87/251317087.db2.gz CMBYTUFZWAXNLI-GLQYFDAESA-N 2 2 326.391 1.747 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418434294 251370714 /nfs/dbraw/zinc/37/07/14/251370714.db2.gz FKYVSDGKUYNZMB-UHFFFAOYSA-N 2 2 339.509 1.878 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418434294 251370717 /nfs/dbraw/zinc/37/07/17/251370717.db2.gz FKYVSDGKUYNZMB-UHFFFAOYSA-N 2 2 339.509 1.878 20 0 EDADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418384235 251364346 /nfs/dbraw/zinc/36/43/46/251364346.db2.gz ONIXQVXTXQALKC-GNJLHFKMSA-N 2 2 328.460 1.779 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CSC[NH2+]3)n2)C1 ZINC000262673089 139295202 /nfs/dbraw/zinc/29/52/02/139295202.db2.gz SAQBQCGEALOPRI-CMPLNLGQSA-N 2 2 326.491 1.976 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CSC[NH2+]3)n2)C1 ZINC000262673089 139295203 /nfs/dbraw/zinc/29/52/03/139295203.db2.gz SAQBQCGEALOPRI-CMPLNLGQSA-N 2 2 326.491 1.976 20 0 EDADLP C[N@@H+]1CCc2nc(NC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)sc2C1 ZINC000262804330 139304798 /nfs/dbraw/zinc/30/47/98/139304798.db2.gz PPDXGQHTKLWNFZ-LLVKDONJSA-N 2 2 346.460 1.504 20 0 EDADLP C[N@H+]1CCc2nc(NC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)sc2C1 ZINC000262804330 139304799 /nfs/dbraw/zinc/30/47/99/139304799.db2.gz PPDXGQHTKLWNFZ-LLVKDONJSA-N 2 2 346.460 1.504 20 0 EDADLP Cc1ccc([C@H](C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)N2CCOCC2)cc1 ZINC000422716656 251960799 /nfs/dbraw/zinc/96/07/99/251960799.db2.gz UVHCXAKMXYNFLL-HOJAQTOUSA-N 2 2 347.503 1.725 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000422896761 252015221 /nfs/dbraw/zinc/01/52/21/252015221.db2.gz AXJMIQYOOULAQS-MBOZVWFJSA-N 3 2 347.503 1.764 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000422896761 252015226 /nfs/dbraw/zinc/01/52/26/252015226.db2.gz AXJMIQYOOULAQS-MBOZVWFJSA-N 3 2 347.503 1.764 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000423514284 252058515 /nfs/dbraw/zinc/05/85/15/252058515.db2.gz MIIMKENKIXDLDQ-CJNGLKHVSA-N 2 2 340.493 1.002 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424141788 252139989 /nfs/dbraw/zinc/13/99/89/252139989.db2.gz XJJQXDRKFINFEY-RDJZCZTQSA-N 2 2 325.497 1.901 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000424465021 252237403 /nfs/dbraw/zinc/23/74/03/252237403.db2.gz JESGWFCQZKNVIF-HNNXBMFYSA-N 2 2 341.415 1.393 20 0 EDADLP CCc1ccc([C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[NH+](C)C)cc1 ZINC000263013608 139317698 /nfs/dbraw/zinc/31/76/98/139317698.db2.gz QCAROYNSWQMZQN-LSDHHAIUSA-N 2 2 325.403 1.965 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1O ZINC000426136996 252317000 /nfs/dbraw/zinc/31/70/00/252317000.db2.gz MZTBKVBIKFJQIY-SJLPKXTDSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1O ZINC000426136996 252317002 /nfs/dbraw/zinc/31/70/02/252317002.db2.gz MZTBKVBIKFJQIY-SJLPKXTDSA-N 2 2 331.460 1.034 20 0 EDADLP [NH3+]CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000263033370 139318940 /nfs/dbraw/zinc/31/89/40/139318940.db2.gz SCZYBYSGZREKMU-UHFFFAOYSA-N 2 2 327.226 1.453 20 0 EDADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000426169050 252319290 /nfs/dbraw/zinc/31/92/90/252319290.db2.gz YBACUMQQEKUEHH-INIZCTEOSA-N 2 2 347.507 1.706 20 0 EDADLP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000263285341 139333297 /nfs/dbraw/zinc/33/32/97/139333297.db2.gz UXDYRIILIQJMKN-NFAWXSAZSA-N 2 2 345.434 1.331 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000112358334 220313353 /nfs/dbraw/zinc/31/33/53/220313353.db2.gz FHJMBDOBCLWONF-KRWDZBQOSA-N 2 2 338.540 1.639 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000415733933 304262587 /nfs/dbraw/zinc/26/25/87/304262587.db2.gz XKVSPKIYUVWYBF-CYBMUJFWSA-N 2 2 342.399 1.845 20 0 EDADLP CN1CC[NH2+]C[C@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000449692296 254644542 /nfs/dbraw/zinc/64/45/42/254644542.db2.gz ACBLZXRMTAUNFW-HNNXBMFYSA-N 2 2 326.400 1.507 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n(C)n1 ZINC000154370659 224244317 /nfs/dbraw/zinc/24/43/17/224244317.db2.gz WAAWJCGADOLTGL-XYPWUTKMSA-N 2 2 331.464 1.112 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n(C)n1 ZINC000154370659 224244319 /nfs/dbraw/zinc/24/43/19/224244319.db2.gz WAAWJCGADOLTGL-XYPWUTKMSA-N 2 2 331.464 1.112 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3cnccn3)CC2)CC1 ZINC000491383301 255124225 /nfs/dbraw/zinc/12/42/25/255124225.db2.gz KSRMPDRGOUTQJU-NSCUHMNNSA-N 2 2 329.448 1.165 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000493359712 255206420 /nfs/dbraw/zinc/20/64/20/255206420.db2.gz WUHPOQIUENIRLT-AATRIKPKSA-N 2 2 340.427 1.696 20 0 EDADLP C[NH+](C)CC1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCCCC1 ZINC000493472925 255210593 /nfs/dbraw/zinc/21/05/93/255210593.db2.gz MXWMQOIEUZYTPC-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495005407 255265599 /nfs/dbraw/zinc/26/55/99/255265599.db2.gz OMKLTBYLTHCXQC-KGLIPLIRSA-N 2 2 345.399 1.758 20 0 EDADLP O[C@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000495005407 255265600 /nfs/dbraw/zinc/26/56/00/255265600.db2.gz OMKLTBYLTHCXQC-KGLIPLIRSA-N 2 2 345.399 1.758 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000495597347 255306916 /nfs/dbraw/zinc/30/69/16/255306916.db2.gz VCJAMNFDHRCBTM-UONOGXRCSA-N 2 2 338.477 1.656 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000495597347 255306917 /nfs/dbraw/zinc/30/69/17/255306917.db2.gz VCJAMNFDHRCBTM-UONOGXRCSA-N 2 2 338.477 1.656 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000495597347 255306918 /nfs/dbraw/zinc/30/69/18/255306918.db2.gz VCJAMNFDHRCBTM-UONOGXRCSA-N 2 2 338.477 1.656 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000495597347 255306919 /nfs/dbraw/zinc/30/69/19/255306919.db2.gz VCJAMNFDHRCBTM-UONOGXRCSA-N 2 2 338.477 1.656 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496211531 255364716 /nfs/dbraw/zinc/36/47/16/255364716.db2.gz GAHNQXRFYUKOBH-CVEARBPZSA-N 2 2 341.496 1.678 20 0 EDADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496211531 255364717 /nfs/dbraw/zinc/36/47/17/255364717.db2.gz GAHNQXRFYUKOBH-CVEARBPZSA-N 2 2 341.496 1.678 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496247086 255370215 /nfs/dbraw/zinc/37/02/15/255370215.db2.gz OGETZZFPAJEIGK-AWEZNQCLSA-N 2 2 339.480 1.696 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496247086 255370216 /nfs/dbraw/zinc/37/02/16/255370216.db2.gz OGETZZFPAJEIGK-AWEZNQCLSA-N 2 2 339.480 1.696 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000117280514 221042194 /nfs/dbraw/zinc/04/21/94/221042194.db2.gz YNQDKKPEUMJEQJ-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000117280514 221042198 /nfs/dbraw/zinc/04/21/98/221042198.db2.gz YNQDKKPEUMJEQJ-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000117280514 221042201 /nfs/dbraw/zinc/04/22/01/221042201.db2.gz YNQDKKPEUMJEQJ-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000117280514 221042204 /nfs/dbraw/zinc/04/22/04/221042204.db2.gz YNQDKKPEUMJEQJ-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3ccsc3C2)CC1 ZINC000119411948 221314078 /nfs/dbraw/zinc/31/40/78/221314078.db2.gz AYUALURUJMTPMU-UHFFFAOYSA-N 2 2 336.505 1.842 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000119557883 221347007 /nfs/dbraw/zinc/34/70/07/221347007.db2.gz CNJGKTJTZRPTNJ-AWEZNQCLSA-N 2 2 348.447 1.657 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000119557883 221347009 /nfs/dbraw/zinc/34/70/09/221347009.db2.gz CNJGKTJTZRPTNJ-AWEZNQCLSA-N 2 2 348.447 1.657 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000154944644 224331547 /nfs/dbraw/zinc/33/15/47/224331547.db2.gz SQSQFLRVUYMMKV-CYBMUJFWSA-N 2 2 332.448 1.875 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)C2)CC1 ZINC000360137163 285333606 /nfs/dbraw/zinc/33/36/06/285333606.db2.gz RYULSCMFVKRWMT-DLBZAZTESA-N 2 2 339.528 1.137 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C2)CC1 ZINC000360137163 285333610 /nfs/dbraw/zinc/33/36/10/285333610.db2.gz RYULSCMFVKRWMT-DLBZAZTESA-N 2 2 339.528 1.137 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)C1 ZINC000261716331 285356194 /nfs/dbraw/zinc/35/61/94/285356194.db2.gz DWXQFSJMBIWWBM-HZPDHXFCSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)C1 ZINC000261716331 285356195 /nfs/dbraw/zinc/35/61/95/285356195.db2.gz DWXQFSJMBIWWBM-HZPDHXFCSA-N 2 2 337.851 1.534 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[NH+]1CCSCC1 ZINC000130972769 533282504 /nfs/dbraw/zinc/28/25/04/533282504.db2.gz NMJWDNYVRPDULE-AWEZNQCLSA-N 2 2 334.489 1.735 20 0 EDADLP CS[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1[NH+](C)C ZINC000270543362 140120718 /nfs/dbraw/zinc/12/07/18/140120718.db2.gz YGJDNMUPANUPBH-KGLIPLIRSA-N 2 2 331.445 1.385 20 0 EDADLP COc1cccc(OCCN2CC[NH+](CCn3cc[nH+]c3C)CC2)c1 ZINC000270932101 140201567 /nfs/dbraw/zinc/20/15/67/140201567.db2.gz WWRGSEKJOHVNII-UHFFFAOYSA-N 2 2 344.459 1.897 20 0 EDADLP C[C@](O)(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(F)(F)F ZINC000271148686 140246255 /nfs/dbraw/zinc/24/62/55/140246255.db2.gz JEONXWDTSPJPOP-ZDUSSCGKSA-N 2 2 338.293 1.936 20 0 EDADLP Cn1nc2c(cc1=O)C[N@@H+](Cc1c[nH+]c3ccc(Cl)cn13)CC2 ZINC000271180594 140252111 /nfs/dbraw/zinc/25/21/11/140252111.db2.gz JLPLQWZOAVHIHI-UHFFFAOYSA-N 2 2 329.791 1.640 20 0 EDADLP Cn1nc2c(cc1=O)C[N@H+](Cc1c[nH+]c3ccc(Cl)cn13)CC2 ZINC000271180594 140252112 /nfs/dbraw/zinc/25/21/12/140252112.db2.gz JLPLQWZOAVHIHI-UHFFFAOYSA-N 2 2 329.791 1.640 20 0 EDADLP CC(C)[C@@H](C(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[NH+](C)C ZINC000331510741 141040704 /nfs/dbraw/zinc/04/07/04/141040704.db2.gz ISEQLTQLNOAVKL-INIZCTEOSA-N 2 2 345.447 1.924 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000332074124 141118341 /nfs/dbraw/zinc/11/83/41/141118341.db2.gz XMGKRDGTQYMZCU-UONOGXRCSA-N 2 2 333.436 1.618 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332411301 141177313 /nfs/dbraw/zinc/17/73/13/141177313.db2.gz HNBJHECJCJJTSW-UHFFFAOYSA-N 2 2 343.479 1.951 20 0 EDADLP Cc1nc([C@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cs1 ZINC000332546506 141200524 /nfs/dbraw/zinc/20/05/24/141200524.db2.gz CEJGBPJYSYNTTB-LBPRGKRZSA-N 2 2 339.509 1.838 20 0 EDADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333078805 141260246 /nfs/dbraw/zinc/26/02/46/141260246.db2.gz AJEVERAJRQECQE-BETUJISGSA-N 2 2 335.477 1.812 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333290996 141293585 /nfs/dbraw/zinc/29/35/85/141293585.db2.gz HWDOULNVTCOBBW-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333290996 141293586 /nfs/dbraw/zinc/29/35/86/141293586.db2.gz HWDOULNVTCOBBW-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000333320866 141298899 /nfs/dbraw/zinc/29/88/99/141298899.db2.gz BABHJAFZPOYSES-ZIAGYGMSSA-N 2 2 335.452 1.641 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2c1 ZINC000333711494 141363324 /nfs/dbraw/zinc/36/33/24/141363324.db2.gz FMSOICLHWUZHQR-SOUVJXGZSA-N 2 2 327.432 1.830 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@@H]21 ZINC000333723259 141366244 /nfs/dbraw/zinc/36/62/44/141366244.db2.gz VAHAJIPXPMPKRW-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@@H]21 ZINC000333723259 141366245 /nfs/dbraw/zinc/36/62/45/141366245.db2.gz VAHAJIPXPMPKRW-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cn2c1 ZINC000333785320 141381328 /nfs/dbraw/zinc/38/13/28/141381328.db2.gz LPOVGYVWQCUFDE-GOSISDBHSA-N 2 2 327.432 1.928 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333807972 141385463 /nfs/dbraw/zinc/38/54/63/141385463.db2.gz IUMIPZXSAWQBPU-ZSHCYNCHSA-N 2 2 329.448 1.326 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)on1 ZINC000333822527 141388634 /nfs/dbraw/zinc/38/86/34/141388634.db2.gz HWXSHMQSYJLRAV-JGGQBBKZSA-N 2 2 336.436 1.528 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)s1 ZINC000333874925 141399419 /nfs/dbraw/zinc/39/94/19/141399419.db2.gz VESRNRSSZJSAGZ-JSGCOSHPSA-N 2 2 337.493 1.419 20 0 EDADLP C[C@H](NC(=O)C(=O)NCc1cn2ccccc2[nH+]1)C(C)(C)C[NH+](C)C ZINC000339699471 142124381 /nfs/dbraw/zinc/12/43/81/142124381.db2.gz NWMVFZUIBUINAK-ZDUSSCGKSA-N 2 2 345.447 1.043 20 0 EDADLP CC(C)[N@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000343564807 142859421 /nfs/dbraw/zinc/85/94/21/142859421.db2.gz PIMJMCZFRJGDDJ-GASCZTMLSA-N 2 2 334.464 1.652 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000343564807 142859422 /nfs/dbraw/zinc/85/94/22/142859422.db2.gz PIMJMCZFRJGDDJ-GASCZTMLSA-N 2 2 334.464 1.652 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000344689033 142999124 /nfs/dbraw/zinc/99/91/24/142999124.db2.gz LFWTYUIGXXICPA-UHFFFAOYSA-N 2 2 335.374 1.929 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000345374780 143083601 /nfs/dbraw/zinc/08/36/01/143083601.db2.gz LNRZSMSDMQXJHP-IXDOHACOSA-N 2 2 330.476 1.954 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000345374780 143083602 /nfs/dbraw/zinc/08/36/02/143083602.db2.gz LNRZSMSDMQXJHP-IXDOHACOSA-N 2 2 330.476 1.954 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3nccn(C4CC4)c3=O)CC2)CC1 ZINC000346204606 143178581 /nfs/dbraw/zinc/17/85/81/143178581.db2.gz GICNRCFLYMSXKB-UHFFFAOYSA-N 2 2 345.491 1.573 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[N@H+](C)C1 ZINC000346229002 143181210 /nfs/dbraw/zinc/18/12/10/143181210.db2.gz DAGKVFUOMCFSCW-CABCVRRESA-N 2 2 335.452 1.008 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[N@@H+](C)C1 ZINC000346229002 143181211 /nfs/dbraw/zinc/18/12/11/143181211.db2.gz DAGKVFUOMCFSCW-CABCVRRESA-N 2 2 335.452 1.008 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000346320777 143191649 /nfs/dbraw/zinc/19/16/49/143191649.db2.gz ZLDLUCIXWQOLQI-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000346838839 143250490 /nfs/dbraw/zinc/25/04/90/143250490.db2.gz RSOPQRKVLIQVPE-OAHLLOKOSA-N 2 2 332.448 1.380 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000346847074 143251258 /nfs/dbraw/zinc/25/12/58/143251258.db2.gz DSVPXXAUIURNKP-DLBZAZTESA-N 2 2 338.496 1.223 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000346847074 143251259 /nfs/dbraw/zinc/25/12/59/143251259.db2.gz DSVPXXAUIURNKP-DLBZAZTESA-N 2 2 338.496 1.223 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000347138340 143286575 /nfs/dbraw/zinc/28/65/75/143286575.db2.gz XKMGMSQQUPGFFS-FHWLQOOXSA-N 2 2 345.487 1.577 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000347138340 143286576 /nfs/dbraw/zinc/28/65/76/143286576.db2.gz XKMGMSQQUPGFFS-FHWLQOOXSA-N 2 2 345.487 1.577 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000347414215 143318304 /nfs/dbraw/zinc/31/83/04/143318304.db2.gz FJQUPEMDWQLJDK-IHPCNDPISA-N 3 2 331.504 1.943 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000347414215 143318305 /nfs/dbraw/zinc/31/83/05/143318305.db2.gz FJQUPEMDWQLJDK-IHPCNDPISA-N 3 2 331.504 1.943 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000347414215 143318306 /nfs/dbraw/zinc/31/83/06/143318306.db2.gz FJQUPEMDWQLJDK-IHPCNDPISA-N 3 2 331.504 1.943 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000347414215 143318307 /nfs/dbraw/zinc/31/83/07/143318307.db2.gz FJQUPEMDWQLJDK-IHPCNDPISA-N 3 2 331.504 1.943 20 0 EDADLP CCC[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000347583830 143337555 /nfs/dbraw/zinc/33/75/55/143337555.db2.gz RGVFHGNQKZCZKP-UHFFFAOYSA-N 2 2 331.460 1.687 20 0 EDADLP CNC(=O)CCOC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347921411 143379415 /nfs/dbraw/zinc/37/94/15/143379415.db2.gz QBEKNTKDGGIAJJ-UHFFFAOYSA-N 2 2 340.493 1.322 20 0 EDADLP CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369738013 155156455 /nfs/dbraw/zinc/15/64/55/155156455.db2.gz JYNMFNOUSLZVHS-PVAVHDDUSA-N 2 2 338.496 1.412 20 0 EDADLP CO[C@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369738013 155156460 /nfs/dbraw/zinc/15/64/60/155156460.db2.gz JYNMFNOUSLZVHS-PVAVHDDUSA-N 2 2 338.496 1.412 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416858544 304352319 /nfs/dbraw/zinc/35/23/19/304352319.db2.gz GBIYJGSXOJVNOO-SFHVURJKSA-N 2 2 348.491 1.691 20 0 EDADLP [NH3+][C@H]1CCCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416894770 304353937 /nfs/dbraw/zinc/35/39/37/304353937.db2.gz RHEPESHPEQFTBF-IRXDYDNUSA-N 2 2 332.448 1.193 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)NC2CCOCC2)[nH+]1 ZINC000369901022 155223998 /nfs/dbraw/zinc/22/39/98/155223998.db2.gz RZFPCTMXXPDRAH-MRXNPFEDSA-N 2 2 332.448 1.562 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NC2CCOCC2)[nH+]1 ZINC000369901022 155224002 /nfs/dbraw/zinc/22/40/02/155224002.db2.gz RZFPCTMXXPDRAH-MRXNPFEDSA-N 2 2 332.448 1.562 20 0 EDADLP CCCn1c2ccccc2nc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352720493 149128677 /nfs/dbraw/zinc/12/86/77/149128677.db2.gz NPJCSHJCTONEHG-INIZCTEOSA-N 2 2 327.476 1.926 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416902148 304354994 /nfs/dbraw/zinc/35/49/94/304354994.db2.gz BIZKEMGSQZFPGI-GJZGRUSLSA-N 2 2 333.411 1.931 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2C[N@H+](CC)C[C@H]2C)s1 ZINC000353140468 149301337 /nfs/dbraw/zinc/30/13/37/149301337.db2.gz PNFRGFAMQDWUQA-NDBYEHHHSA-N 2 2 339.509 1.993 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)s1 ZINC000353140468 149301340 /nfs/dbraw/zinc/30/13/40/149301340.db2.gz PNFRGFAMQDWUQA-NDBYEHHHSA-N 2 2 339.509 1.993 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(=O)OC ZINC000353151590 149304415 /nfs/dbraw/zinc/30/44/15/149304415.db2.gz FQWPYCWEWHKFLY-YPIDSRPYSA-N 2 2 339.480 1.247 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(=O)OC ZINC000353151590 149304416 /nfs/dbraw/zinc/30/44/16/149304416.db2.gz FQWPYCWEWHKFLY-YPIDSRPYSA-N 2 2 339.480 1.247 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC ZINC000353151590 149304418 /nfs/dbraw/zinc/30/44/18/149304418.db2.gz FQWPYCWEWHKFLY-YPIDSRPYSA-N 2 2 339.480 1.247 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC ZINC000353151590 149304419 /nfs/dbraw/zinc/30/44/19/149304419.db2.gz FQWPYCWEWHKFLY-YPIDSRPYSA-N 2 2 339.480 1.247 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(C)(C)n2cncn2)nc[nH+]1 ZINC000353251117 149339922 /nfs/dbraw/zinc/33/99/22/149339922.db2.gz HGLKZOMBSSEPKS-ZIAGYGMSSA-N 2 2 344.467 1.492 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000353280906 149351158 /nfs/dbraw/zinc/35/11/58/149351158.db2.gz HBYDCEXYQLZBEN-UHFFFAOYSA-N 2 2 349.479 1.108 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000353335149 149369631 /nfs/dbraw/zinc/36/96/31/149369631.db2.gz JAODGZOAUFYFGA-LSDHHAIUSA-N 2 2 344.459 1.960 20 0 EDADLP Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369930565 155240975 /nfs/dbraw/zinc/24/09/75/155240975.db2.gz ZRQGMWKIEBNNSI-CJNGLKHVSA-N 2 2 347.507 1.490 20 0 EDADLP Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369930565 155240977 /nfs/dbraw/zinc/24/09/77/155240977.db2.gz ZRQGMWKIEBNNSI-CJNGLKHVSA-N 2 2 347.507 1.490 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000355062050 150097783 /nfs/dbraw/zinc/09/77/83/150097783.db2.gz RUWPPPPFXOZVBH-IRXDYDNUSA-N 2 2 341.459 1.966 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)C1 ZINC000416985329 304361528 /nfs/dbraw/zinc/36/15/28/304361528.db2.gz KYWIPVDHMKAEBU-IIAWOOMASA-N 2 2 347.463 1.199 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)no1 ZINC000355578497 150322853 /nfs/dbraw/zinc/32/28/53/150322853.db2.gz SUTFWZOWOJHRKM-CQSZACIVSA-N 2 2 336.436 1.063 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](CC[NH3+])C(F)F)c1C ZINC000418701801 286181603 /nfs/dbraw/zinc/18/16/03/286181603.db2.gz DDNSMCMNQFCLGS-NSHDSACASA-N 2 2 330.379 1.831 20 0 EDADLP CC(C)C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH+]1CCOCC1 ZINC000355708354 150367911 /nfs/dbraw/zinc/36/79/11/150367911.db2.gz YVPJNCFLGCTMKB-AWEZNQCLSA-N 2 2 338.452 1.213 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000270239891 286213649 /nfs/dbraw/zinc/21/36/49/286213649.db2.gz HNMMJYXOHIGRBN-MRXNPFEDSA-N 2 2 346.475 1.527 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000357600137 151080844 /nfs/dbraw/zinc/08/08/44/151080844.db2.gz YUUNJWDIPUENMI-GFCCVEGCSA-N 2 2 329.404 1.092 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000357605958 151083307 /nfs/dbraw/zinc/08/33/07/151083307.db2.gz YWGIIBJRYYAWMB-JKSUJKDBSA-N 2 2 331.464 1.766 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357719759 151124534 /nfs/dbraw/zinc/12/45/34/151124534.db2.gz CGMZQLKKHKDGAD-UHFFFAOYSA-N 2 2 349.475 1.042 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357719759 151124535 /nfs/dbraw/zinc/12/45/35/151124535.db2.gz CGMZQLKKHKDGAD-UHFFFAOYSA-N 2 2 349.475 1.042 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000357820598 151161676 /nfs/dbraw/zinc/16/16/76/151161676.db2.gz TZKVUQTYCHWLNV-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000357820598 151161678 /nfs/dbraw/zinc/16/16/78/151161678.db2.gz TZKVUQTYCHWLNV-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000357820598 151161681 /nfs/dbraw/zinc/16/16/81/151161681.db2.gz TZKVUQTYCHWLNV-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000357820598 151161685 /nfs/dbraw/zinc/16/16/85/151161685.db2.gz TZKVUQTYCHWLNV-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000357997675 151227777 /nfs/dbraw/zinc/22/77/77/151227777.db2.gz WESNKGWQQHOHBV-CQSZACIVSA-N 2 2 344.459 1.655 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000357997675 151227781 /nfs/dbraw/zinc/22/77/81/151227781.db2.gz WESNKGWQQHOHBV-CQSZACIVSA-N 2 2 344.459 1.655 20 0 EDADLP C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000358071315 151257927 /nfs/dbraw/zinc/25/79/27/151257927.db2.gz XBIRQIPIAGJXCF-SFHVURJKSA-N 2 2 327.384 1.670 20 0 EDADLP C[N@H+]1CC[C@](O)(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000358071315 151257930 /nfs/dbraw/zinc/25/79/30/151257930.db2.gz XBIRQIPIAGJXCF-SFHVURJKSA-N 2 2 327.384 1.670 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000358082728 151264776 /nfs/dbraw/zinc/26/47/76/151264776.db2.gz WZXJNWKARDZNCY-DOTOQJQBSA-N 2 2 336.480 1.143 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000358313154 151333840 /nfs/dbraw/zinc/33/38/40/151333840.db2.gz NGFVTRYBEROIRV-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000358313154 151333843 /nfs/dbraw/zinc/33/38/43/151333843.db2.gz NGFVTRYBEROIRV-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP CC(C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000358462179 151385137 /nfs/dbraw/zinc/38/51/37/151385137.db2.gz HOTVCXXYZAFBIT-GOSISDBHSA-N 2 2 333.476 1.591 20 0 EDADLP CC(C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000358462179 151385139 /nfs/dbraw/zinc/38/51/39/151385139.db2.gz HOTVCXXYZAFBIT-GOSISDBHSA-N 2 2 333.476 1.591 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C2CC[NH2+]CC2)[NH+]2CCOCC2)cc1 ZINC000237915866 292251811 /nfs/dbraw/zinc/25/18/11/292251811.db2.gz SVMTXPVMNRXNHJ-SFHVURJKSA-N 2 2 331.460 1.484 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C12CCOCC2 ZINC000346536052 286284303 /nfs/dbraw/zinc/28/43/03/286284303.db2.gz QVFNCQYUBPTECO-OAGGEKHMSA-N 2 2 328.522 1.988 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)[NH+]2CCOCC2)cc1 ZINC000417174141 292252781 /nfs/dbraw/zinc/25/27/81/292252781.db2.gz IIFXVYJPKSBDBB-ROUUACIJSA-N 2 2 348.491 1.651 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360536560 152085910 /nfs/dbraw/zinc/08/59/10/152085910.db2.gz WGRQQNJOWTYDDI-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360536560 152085913 /nfs/dbraw/zinc/08/59/13/152085913.db2.gz WGRQQNJOWTYDDI-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552901 152092046 /nfs/dbraw/zinc/09/20/46/152092046.db2.gz PSEQVVXAYFVCGP-VCBZYWHSSA-N 2 2 345.443 1.017 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552901 152092050 /nfs/dbraw/zinc/09/20/50/152092050.db2.gz PSEQVVXAYFVCGP-VCBZYWHSSA-N 2 2 345.443 1.017 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360561399 152097255 /nfs/dbraw/zinc/09/72/55/152097255.db2.gz ITXBMZFEXRTJDB-IBGZPJMESA-N 2 2 347.459 1.013 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360561399 152097259 /nfs/dbraw/zinc/09/72/59/152097259.db2.gz ITXBMZFEXRTJDB-IBGZPJMESA-N 2 2 347.459 1.013 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000360639197 152134148 /nfs/dbraw/zinc/13/41/48/152134148.db2.gz QMALSWFSCPCFBV-UHFFFAOYSA-N 2 2 345.487 1.921 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000360639197 152134151 /nfs/dbraw/zinc/13/41/51/152134151.db2.gz QMALSWFSCPCFBV-UHFFFAOYSA-N 2 2 345.487 1.921 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000360760675 152191298 /nfs/dbraw/zinc/19/12/98/152191298.db2.gz CXFPBGBEFWALOJ-CVEARBPZSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000360760675 152191302 /nfs/dbraw/zinc/19/13/02/152191302.db2.gz CXFPBGBEFWALOJ-CVEARBPZSA-N 2 2 347.438 1.868 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000360998693 152274705 /nfs/dbraw/zinc/27/47/05/152274705.db2.gz QLDNKAOHPZPSNJ-KBXCAEBGSA-N 2 2 342.443 1.987 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000360998693 152274706 /nfs/dbraw/zinc/27/47/06/152274706.db2.gz QLDNKAOHPZPSNJ-KBXCAEBGSA-N 2 2 342.443 1.987 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@@H]1C ZINC000370141326 155343954 /nfs/dbraw/zinc/34/39/54/155343954.db2.gz GGDONHGLGZAYOG-LSDHHAIUSA-N 2 2 335.452 1.123 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@@H]1C ZINC000370141326 155343960 /nfs/dbraw/zinc/34/39/60/155343960.db2.gz GGDONHGLGZAYOG-LSDHHAIUSA-N 2 2 335.452 1.123 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000361088621 152299262 /nfs/dbraw/zinc/29/92/62/152299262.db2.gz QGHWEZCKHODTTN-INIZCTEOSA-N 2 2 344.503 1.993 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000361088621 152299264 /nfs/dbraw/zinc/29/92/64/152299264.db2.gz QGHWEZCKHODTTN-INIZCTEOSA-N 2 2 344.503 1.993 20 0 EDADLP CC(C)O[C@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C1(C)C ZINC000361238615 152342709 /nfs/dbraw/zinc/34/27/09/152342709.db2.gz VBZKOGQLIBKFOV-ROUUACIJSA-N 2 2 341.540 1.558 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)[C@@H](C)C1 ZINC000361340478 152365671 /nfs/dbraw/zinc/36/56/71/152365671.db2.gz DZMNYUQYSVMHPW-SXLOBPIMSA-N 2 2 331.504 1.860 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)[C@@H](C)C1 ZINC000361340478 152365672 /nfs/dbraw/zinc/36/56/72/152365672.db2.gz DZMNYUQYSVMHPW-SXLOBPIMSA-N 2 2 331.504 1.860 20 0 EDADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000361420253 152389978 /nfs/dbraw/zinc/38/99/78/152389978.db2.gz MKVMJURXGKSQFP-IBGZPJMESA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000361420253 152389980 /nfs/dbraw/zinc/38/99/80/152389980.db2.gz MKVMJURXGKSQFP-IBGZPJMESA-N 2 2 345.487 1.830 20 0 EDADLP Cc1nnc2n1C[C@H]([NH2+]CC1(C[NH+]3CCOCC3)CCCCC1)CC2 ZINC000361944941 152561761 /nfs/dbraw/zinc/56/17/61/152561761.db2.gz PJWDOMZGZYWGHK-QGZVFWFLSA-N 2 2 347.507 1.774 20 0 EDADLP C[C@@H](C1CC1)[N@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363618101 153014465 /nfs/dbraw/zinc/01/44/65/153014465.db2.gz QPAFJZIFYRIPKO-LPHOPBHVSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H](C1CC1)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363618101 153014467 /nfs/dbraw/zinc/01/44/67/153014467.db2.gz QPAFJZIFYRIPKO-LPHOPBHVSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H](C1CC1)[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363618101 153014468 /nfs/dbraw/zinc/01/44/68/153014468.db2.gz QPAFJZIFYRIPKO-LPHOPBHVSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H](C1CC1)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363618101 153014470 /nfs/dbraw/zinc/01/44/70/153014470.db2.gz QPAFJZIFYRIPKO-LPHOPBHVSA-N 2 2 345.487 1.734 20 0 EDADLP CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000363751876 153046683 /nfs/dbraw/zinc/04/66/83/153046683.db2.gz ALSGLNOQXSQOMK-UHFFFAOYSA-N 2 2 341.415 1.053 20 0 EDADLP Cn1cc(N2CC[C@@H]([NH2+]C3CC[NH+](Cc4ccccn4)CC3)C2)cn1 ZINC000363787795 153056747 /nfs/dbraw/zinc/05/67/47/153056747.db2.gz VXFZSDYVMPFVKT-GOSISDBHSA-N 2 2 340.475 1.648 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000364210465 153174260 /nfs/dbraw/zinc/17/42/60/153174260.db2.gz DTSUDPWOWJHWIU-INIZCTEOSA-N 2 2 331.460 1.816 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364715664 153311699 /nfs/dbraw/zinc/31/16/99/153311699.db2.gz SSQQUTKQAQHGJI-SJORKVTESA-N 2 2 346.475 1.477 20 0 EDADLP CCN(C(=O)C[NH2+]C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364852384 153350766 /nfs/dbraw/zinc/35/07/66/153350766.db2.gz TXETZTKOCHUNCH-UHFFFAOYSA-N 2 2 333.480 1.945 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2COCC[NH2+]2)cc1F ZINC000364864233 153355087 /nfs/dbraw/zinc/35/50/87/153355087.db2.gz DVBYREWPIFQFCQ-NHYWBVRUSA-N 2 2 332.379 1.485 20 0 EDADLP COc1ccccc1[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000367512871 154154136 /nfs/dbraw/zinc/15/41/36/154154136.db2.gz HDMQUAKSHQLNJX-DYVFJYSZSA-N 2 2 344.415 1.013 20 0 EDADLP COCCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367541162 154167970 /nfs/dbraw/zinc/16/79/70/154167970.db2.gz FIFHNCAYTKBODL-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP COCCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367541162 154167973 /nfs/dbraw/zinc/16/79/73/154167973.db2.gz FIFHNCAYTKBODL-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367851474 154299290 /nfs/dbraw/zinc/29/92/90/154299290.db2.gz VPCFLWRLNFSAEE-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367851474 154299293 /nfs/dbraw/zinc/29/92/93/154299293.db2.gz VPCFLWRLNFSAEE-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367851474 154299294 /nfs/dbraw/zinc/29/92/94/154299294.db2.gz VPCFLWRLNFSAEE-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367851474 154299296 /nfs/dbraw/zinc/29/92/96/154299296.db2.gz VPCFLWRLNFSAEE-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1C ZINC000368018948 154369544 /nfs/dbraw/zinc/36/95/44/154369544.db2.gz KSSRHPNPBBYFBX-INIZCTEOSA-N 2 2 334.464 1.024 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1C ZINC000368018948 154369546 /nfs/dbraw/zinc/36/95/46/154369546.db2.gz KSSRHPNPBBYFBX-INIZCTEOSA-N 2 2 334.464 1.024 20 0 EDADLP c1nc(C2OCCO2)sc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368018153 154370831 /nfs/dbraw/zinc/37/08/31/154370831.db2.gz IWDXLQXILBMSMG-RYUDHWBXSA-N 2 2 325.434 1.141 20 0 EDADLP c1nc(C2OCCO2)sc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368018153 154370833 /nfs/dbraw/zinc/37/08/33/154370833.db2.gz IWDXLQXILBMSMG-RYUDHWBXSA-N 2 2 325.434 1.141 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368045176 154384082 /nfs/dbraw/zinc/38/40/82/154384082.db2.gz NRKQRPHDCDNTMU-IAGOWNOFSA-N 2 2 347.463 1.229 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368045176 154384086 /nfs/dbraw/zinc/38/40/86/154384086.db2.gz NRKQRPHDCDNTMU-IAGOWNOFSA-N 2 2 347.463 1.229 20 0 EDADLP CCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCOCC1 ZINC000368065893 154392884 /nfs/dbraw/zinc/39/28/84/154392884.db2.gz XHSJIPHACCPYOP-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP CCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCOCC1 ZINC000368065893 154392887 /nfs/dbraw/zinc/39/28/87/154392887.db2.gz XHSJIPHACCPYOP-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369501242 155061522 /nfs/dbraw/zinc/06/15/22/155061522.db2.gz RPMLEMWKFDXLBC-AWEZNQCLSA-N 2 2 336.399 1.798 20 0 EDADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369520064 155068384 /nfs/dbraw/zinc/06/83/84/155068384.db2.gz QLTWRVFPNMMJMW-HZPDHXFCSA-N 2 2 347.507 1.467 20 0 EDADLP C[NH+](C)[C@]1(C(=O)N2CC[NH+](C3CCC3)CC2)CCOc2ccccc21 ZINC000369598746 155104357 /nfs/dbraw/zinc/10/43/57/155104357.db2.gz CHGPYQHPJZEXHV-HXUWFJFHSA-N 2 2 343.471 1.923 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc(O)c3)C2)CC1 ZINC000371792328 156107632 /nfs/dbraw/zinc/10/76/32/156107632.db2.gz JHAYCRUQGOUODU-ZYSHUDEJSA-N 2 2 343.471 1.780 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc(O)c3)C2)CC1 ZINC000371792328 156107637 /nfs/dbraw/zinc/10/76/37/156107637.db2.gz JHAYCRUQGOUODU-ZYSHUDEJSA-N 2 2 343.471 1.780 20 0 EDADLP Cc1ccccc1CCC[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371892687 156153562 /nfs/dbraw/zinc/15/35/62/156153562.db2.gz ZSRCRUMDNITGPT-HXUWFJFHSA-N 2 2 331.504 1.876 20 0 EDADLP Cc1ccccc1CCC[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371892687 156153566 /nfs/dbraw/zinc/15/35/66/156153566.db2.gz ZSRCRUMDNITGPT-HXUWFJFHSA-N 2 2 331.504 1.876 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000361530677 286541899 /nfs/dbraw/zinc/54/18/99/286541899.db2.gz KMMGPHKVHCAAEP-INIZCTEOSA-N 2 2 332.448 1.612 20 0 EDADLP CN(C(=O)C(F)(F)C1(O)CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372331411 156337215 /nfs/dbraw/zinc/33/72/15/156337215.db2.gz IPLWGFYXAHMHLF-AWEZNQCLSA-N 2 2 345.434 1.164 20 0 EDADLP CN(C(=O)C(F)(F)C1(O)CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372331411 156337222 /nfs/dbraw/zinc/33/72/22/156337222.db2.gz IPLWGFYXAHMHLF-AWEZNQCLSA-N 2 2 345.434 1.164 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843776 157029906 /nfs/dbraw/zinc/02/99/06/157029906.db2.gz HHEDNTKKZMHFLD-SLFFLAALSA-N 2 2 344.503 1.699 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843776 157029908 /nfs/dbraw/zinc/02/99/08/157029908.db2.gz HHEDNTKKZMHFLD-SLFFLAALSA-N 2 2 344.503 1.699 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843776 157029913 /nfs/dbraw/zinc/02/99/13/157029913.db2.gz HHEDNTKKZMHFLD-SLFFLAALSA-N 2 2 344.503 1.699 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843776 157029914 /nfs/dbraw/zinc/02/99/14/157029914.db2.gz HHEDNTKKZMHFLD-SLFFLAALSA-N 2 2 344.503 1.699 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843776 157029927 /nfs/dbraw/zinc/02/99/27/157029927.db2.gz HHEDNTKKZMHFLD-SLFFLAALSA-N 2 2 344.503 1.699 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843776 157029933 /nfs/dbraw/zinc/02/99/33/157029933.db2.gz HHEDNTKKZMHFLD-SLFFLAALSA-N 2 2 344.503 1.699 20 0 EDADLP NC(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000373892016 157050592 /nfs/dbraw/zinc/05/05/92/157050592.db2.gz KGSRPNSMYMETCW-AWEZNQCLSA-N 2 2 341.415 1.418 20 0 EDADLP Cc1cc(N2CCC([N@H+](C)Cc3ncnn3CCF)CC2)nc(C)[nH+]1 ZINC000374136544 157160091 /nfs/dbraw/zinc/16/00/91/157160091.db2.gz LUOCBTWNBXMZIK-UHFFFAOYSA-N 2 2 347.442 1.755 20 0 EDADLP Cc1cc(N2CCC([N@@H+](C)Cc3ncnn3CCF)CC2)nc(C)[nH+]1 ZINC000374136544 157160094 /nfs/dbraw/zinc/16/00/94/157160094.db2.gz LUOCBTWNBXMZIK-UHFFFAOYSA-N 2 2 347.442 1.755 20 0 EDADLP CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C(=O)OC ZINC000374201472 157190763 /nfs/dbraw/zinc/19/07/63/157190763.db2.gz WGYNCCRSGNDNIM-MLGOLLRUSA-N 2 2 336.436 1.293 20 0 EDADLP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC(=O)NCC(F)(F)F ZINC000374210869 157197167 /nfs/dbraw/zinc/19/71/67/157197167.db2.gz HYKAEEFEJSLDGN-UHFFFAOYSA-N 2 2 347.341 1.367 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[C@H]1C ZINC000374366978 157262784 /nfs/dbraw/zinc/26/27/84/157262784.db2.gz PIBTYZQUHOEPAD-CRAIPNDOSA-N 2 2 346.475 1.535 20 0 EDADLP COCC[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[C@H]1C ZINC000374366978 157262785 /nfs/dbraw/zinc/26/27/85/157262785.db2.gz PIBTYZQUHOEPAD-CRAIPNDOSA-N 2 2 346.475 1.535 20 0 EDADLP COCC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@H]1C ZINC000374366978 157262786 /nfs/dbraw/zinc/26/27/86/157262786.db2.gz PIBTYZQUHOEPAD-CRAIPNDOSA-N 2 2 346.475 1.535 20 0 EDADLP COCC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@H]1C ZINC000374366978 157262788 /nfs/dbraw/zinc/26/27/88/157262788.db2.gz PIBTYZQUHOEPAD-CRAIPNDOSA-N 2 2 346.475 1.535 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000374485139 157305278 /nfs/dbraw/zinc/30/52/78/157305278.db2.gz YYGKUJMIFSRMNY-HNNXBMFYSA-N 2 2 334.468 1.112 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc3nccn32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375014721 157471598 /nfs/dbraw/zinc/47/15/98/157471598.db2.gz BPBJNWIZUBNXBO-FUHWJXTLSA-N 2 2 327.476 1.792 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc3nccn32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375014721 157471600 /nfs/dbraw/zinc/47/16/00/157471600.db2.gz BPBJNWIZUBNXBO-FUHWJXTLSA-N 2 2 327.476 1.792 20 0 EDADLP CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NCc2c[nH+]cn2C)C1 ZINC000377931934 158032297 /nfs/dbraw/zinc/03/22/97/158032297.db2.gz KCRTUANJHBEQDA-UHFFFAOYSA-N 2 2 341.415 1.053 20 0 EDADLP CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NCc2c[nH+]cn2C)C1 ZINC000377931934 158032300 /nfs/dbraw/zinc/03/23/00/158032300.db2.gz KCRTUANJHBEQDA-UHFFFAOYSA-N 2 2 341.415 1.053 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000378093081 158076950 /nfs/dbraw/zinc/07/69/50/158076950.db2.gz HUCXROWULAHSMM-ULQDDVLXSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000378219464 158113058 /nfs/dbraw/zinc/11/30/58/158113058.db2.gz CLFYTHIJLTUJLQ-UHFFFAOYSA-N 2 2 334.464 1.685 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000378563380 158208957 /nfs/dbraw/zinc/20/89/57/158208957.db2.gz LVQPPLCANSPOLX-OAHLLOKOSA-N 2 2 343.431 1.733 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000352133852 162001771 /nfs/dbraw/zinc/00/17/71/162001771.db2.gz GHSRHLBLTLRXRU-CQSZACIVSA-N 2 2 346.431 1.219 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000352133852 162001772 /nfs/dbraw/zinc/00/17/72/162001772.db2.gz GHSRHLBLTLRXRU-CQSZACIVSA-N 2 2 346.431 1.219 20 0 EDADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000352520453 162225995 /nfs/dbraw/zinc/22/59/95/162225995.db2.gz YNJVXZBVKYMJHV-GDBMZVCRSA-N 2 2 334.439 1.441 20 0 EDADLP COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364229294 162322347 /nfs/dbraw/zinc/32/23/47/162322347.db2.gz GSBQILJMYKBNAO-MRXNPFEDSA-N 2 2 346.475 1.663 20 0 EDADLP COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364229294 162322348 /nfs/dbraw/zinc/32/23/48/162322348.db2.gz GSBQILJMYKBNAO-MRXNPFEDSA-N 2 2 346.475 1.663 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000113617361 287011665 /nfs/dbraw/zinc/01/16/65/287011665.db2.gz JMBPAEOOCRGRSL-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000113617361 287011667 /nfs/dbraw/zinc/01/16/67/287011667.db2.gz JMBPAEOOCRGRSL-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000359825618 287163910 /nfs/dbraw/zinc/16/39/10/287163910.db2.gz FNMVGEVRHSCBTR-IGKNDFSCSA-N 2 2 337.508 1.817 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000359825618 287163911 /nfs/dbraw/zinc/16/39/11/287163911.db2.gz FNMVGEVRHSCBTR-IGKNDFSCSA-N 2 2 337.508 1.817 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000121398661 287370836 /nfs/dbraw/zinc/37/08/36/287370836.db2.gz UQEUXTOXPFDEEP-LSDHHAIUSA-N 2 2 337.468 1.332 20 0 EDADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000166772252 226169565 /nfs/dbraw/zinc/16/95/65/226169565.db2.gz WLCQVRYKTDGRRC-LBPRGKRZSA-N 2 2 333.274 1.592 20 0 EDADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000166772252 226169569 /nfs/dbraw/zinc/16/95/69/226169569.db2.gz WLCQVRYKTDGRRC-LBPRGKRZSA-N 2 2 333.274 1.592 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)c(C)[nH+]1 ZINC000123004292 222197148 /nfs/dbraw/zinc/19/71/48/222197148.db2.gz DZVKDEABSZQUAK-UHFFFAOYSA-N 2 2 344.415 1.820 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000190165555 267789431 /nfs/dbraw/zinc/78/94/31/267789431.db2.gz GDXGQJMJYTVOAT-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc3nccnc32)CC1 ZINC000273320107 268025129 /nfs/dbraw/zinc/02/51/29/268025129.db2.gz WTFCZOWLRPTYSZ-UHFFFAOYSA-N 2 2 327.432 1.386 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC([N@H+](C)CCO)CC3)ccc2[nH+]1 ZINC000274017570 268098542 /nfs/dbraw/zinc/09/85/42/268098542.db2.gz OYCWIVNUHZGIGW-UHFFFAOYSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC([N@@H+](C)CCO)CC3)ccc2[nH+]1 ZINC000274017570 268098546 /nfs/dbraw/zinc/09/85/46/268098546.db2.gz OYCWIVNUHZGIGW-UHFFFAOYSA-N 2 2 331.420 1.563 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCN2C(=O)COc3ccccc32)C1 ZINC000273111265 273029094 /nfs/dbraw/zinc/02/90/94/273029094.db2.gz QDMBLTVQIUAABV-OAHLLOKOSA-N 2 2 333.432 1.112 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCN2C(=O)COc3ccccc32)C1 ZINC000273111265 273029095 /nfs/dbraw/zinc/02/90/95/273029095.db2.gz QDMBLTVQIUAABV-OAHLLOKOSA-N 2 2 333.432 1.112 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](CCO)C(C)C)CC2)c1 ZINC000274120978 273070705 /nfs/dbraw/zinc/07/07/05/273070705.db2.gz WZSVXLYLLHFXIB-IBGZPJMESA-N 2 2 347.503 1.636 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cn[nH]c1 ZINC000275155009 273103980 /nfs/dbraw/zinc/10/39/80/273103980.db2.gz HMSAPGAFSNITFG-CYBMUJFWSA-N 2 2 333.461 1.466 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1c[nH+]ccc1N ZINC000275607926 273112642 /nfs/dbraw/zinc/11/26/42/273112642.db2.gz GPXLMYDNDQKWEH-HNNXBMFYSA-N 2 2 339.443 1.604 20 0 EDADLP O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000057593688 272914970 /nfs/dbraw/zinc/91/49/70/272914970.db2.gz BEURQJRAHWSLTM-GOSISDBHSA-N 2 2 340.427 1.696 20 0 EDADLP Cc1c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cnn1CC(C)C ZINC000119133040 272925069 /nfs/dbraw/zinc/92/50/69/272925069.db2.gz JXOPZOZPSCLILG-UHFFFAOYSA-N 2 2 335.496 1.603 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278296323 273258731 /nfs/dbraw/zinc/25/87/31/273258731.db2.gz HLVFHLQUWZSHTP-CQSZACIVSA-N 2 2 340.431 1.412 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000279110342 273280434 /nfs/dbraw/zinc/28/04/34/273280434.db2.gz VXWOSHZRHKMYDX-RBUKOAKNSA-N 2 2 343.471 1.491 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000279110342 273280435 /nfs/dbraw/zinc/28/04/35/273280435.db2.gz VXWOSHZRHKMYDX-RBUKOAKNSA-N 2 2 343.471 1.491 20 0 EDADLP Cc1cc(C)n(CC[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000279684019 273318205 /nfs/dbraw/zinc/31/82/05/273318205.db2.gz HDUREJBWJSYVOP-IRXDYDNUSA-N 2 2 348.470 1.778 20 0 EDADLP Cc1cc(C)n(CC[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000279684019 273318207 /nfs/dbraw/zinc/31/82/07/273318207.db2.gz HDUREJBWJSYVOP-IRXDYDNUSA-N 2 2 348.470 1.778 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000155781722 287664813 /nfs/dbraw/zinc/66/48/13/287664813.db2.gz JWDWBRXDPIGFGU-IAGOWNOFSA-N 2 2 326.444 1.735 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(OC)c(O)c(OC)c3)C2)CC1 ZINC000284105661 274081692 /nfs/dbraw/zinc/08/16/92/274081692.db2.gz OPLBNGGYLYSEEJ-INIZCTEOSA-N 2 2 349.475 1.621 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(OC)c(O)c(OC)c3)C2)CC1 ZINC000284105661 274081693 /nfs/dbraw/zinc/08/16/93/274081693.db2.gz OPLBNGGYLYSEEJ-INIZCTEOSA-N 2 2 349.475 1.621 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)n(C)c1C ZINC000284262559 274137775 /nfs/dbraw/zinc/13/77/75/274137775.db2.gz RYHOMJMSXHBQMP-SUMWQHHRSA-N 2 2 346.431 1.864 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000284394614 274186180 /nfs/dbraw/zinc/18/61/80/274186180.db2.gz MYDYAWYUXDJYFD-ONEGZZNKSA-N 2 2 331.464 1.440 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000496375425 276072150 /nfs/dbraw/zinc/07/21/50/276072150.db2.gz OKKTZPOMVKBZMG-HZPDHXFCSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000496375425 276072151 /nfs/dbraw/zinc/07/21/51/276072151.db2.gz OKKTZPOMVKBZMG-HZPDHXFCSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000496375425 276072152 /nfs/dbraw/zinc/07/21/52/276072152.db2.gz OKKTZPOMVKBZMG-HZPDHXFCSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000496375425 276072154 /nfs/dbraw/zinc/07/21/54/276072154.db2.gz OKKTZPOMVKBZMG-HZPDHXFCSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000271922941 276316730 /nfs/dbraw/zinc/31/67/30/276316730.db2.gz IGKALICTHZTCJL-KRWDZBQOSA-N 2 2 348.491 1.206 20 0 EDADLP CCN(CC)C(=O)C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000271922941 276316731 /nfs/dbraw/zinc/31/67/31/276316731.db2.gz IGKALICTHZTCJL-KRWDZBQOSA-N 2 2 348.491 1.206 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000369810771 276325061 /nfs/dbraw/zinc/32/50/61/276325061.db2.gz QUGILXHEYCTALQ-OAHLLOKOSA-N 2 2 336.484 1.150 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)c2C1 ZINC000330289120 277190101 /nfs/dbraw/zinc/19/01/01/277190101.db2.gz DQHJEMKGSXILEH-CQSZACIVSA-N 2 2 338.459 1.991 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CC[C@@H](n4c[nH+]c5c4CCCC5)C3)c2C1 ZINC000330289120 277190104 /nfs/dbraw/zinc/19/01/04/277190104.db2.gz DQHJEMKGSXILEH-CQSZACIVSA-N 2 2 338.459 1.991 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000329360137 278115226 /nfs/dbraw/zinc/11/52/26/278115226.db2.gz GSPBOGRITPXDGM-LUKYLMHMSA-N 2 2 344.521 1.310 20 0 EDADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCOC1 ZINC000133706565 288040410 /nfs/dbraw/zinc/04/04/10/288040410.db2.gz ZPUJLURDGDWARY-IRXDYDNUSA-N 2 2 333.480 1.393 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000237506949 278423417 /nfs/dbraw/zinc/42/34/17/278423417.db2.gz KHFPRRRAOQZVON-LBPRGKRZSA-N 2 2 331.445 1.516 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000358839036 279257577 /nfs/dbraw/zinc/25/75/77/279257577.db2.gz YWLSFORGGUDQKU-LJQANCHMSA-N 3 2 346.519 1.822 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000358839036 279257581 /nfs/dbraw/zinc/25/75/81/279257581.db2.gz YWLSFORGGUDQKU-LJQANCHMSA-N 3 2 346.519 1.822 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000358094985 279370899 /nfs/dbraw/zinc/37/08/99/279370899.db2.gz LMTVYJNPZGGMOM-WMZOPIPTSA-N 2 2 349.523 1.058 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000358094985 279370901 /nfs/dbraw/zinc/37/09/01/279370901.db2.gz LMTVYJNPZGGMOM-WMZOPIPTSA-N 2 2 349.523 1.058 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@@H]1C ZINC000353766681 279397830 /nfs/dbraw/zinc/39/78/30/279397830.db2.gz HXIXXJNNBXGMNI-DOTOQJQBSA-N 2 2 349.523 1.870 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@@H]1C ZINC000353766681 279397834 /nfs/dbraw/zinc/39/78/34/279397834.db2.gz HXIXXJNNBXGMNI-DOTOQJQBSA-N 2 2 349.523 1.870 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@@H]1C ZINC000353766681 279397837 /nfs/dbraw/zinc/39/78/37/279397837.db2.gz HXIXXJNNBXGMNI-DOTOQJQBSA-N 2 2 349.523 1.870 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@@H]1C ZINC000353766681 279397840 /nfs/dbraw/zinc/39/78/40/279397840.db2.gz HXIXXJNNBXGMNI-DOTOQJQBSA-N 2 2 349.523 1.870 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000287332421 288212078 /nfs/dbraw/zinc/21/20/78/288212078.db2.gz ICTVVJZCBDSUGR-BHYGNILZSA-N 2 2 334.464 1.308 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000287332421 288212082 /nfs/dbraw/zinc/21/20/82/288212082.db2.gz ICTVVJZCBDSUGR-BHYGNILZSA-N 2 2 334.464 1.308 20 0 EDADLP O=S1(=O)NC(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)=Nc2ccccc21 ZINC000420333842 280352260 /nfs/dbraw/zinc/35/22/60/280352260.db2.gz TUMRSAFYDOUXRY-UONOGXRCSA-N 2 2 348.472 1.330 20 0 EDADLP O=S1(=O)NC(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)=Nc2ccccc21 ZINC000420333842 280352262 /nfs/dbraw/zinc/35/22/62/280352262.db2.gz TUMRSAFYDOUXRY-UONOGXRCSA-N 2 2 348.472 1.330 20 0 EDADLP CC1(C)C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000495913070 281241765 /nfs/dbraw/zinc/24/17/65/281241765.db2.gz PBQFDXPLUGLMCW-MRXNPFEDSA-N 2 2 325.478 1.688 20 0 EDADLP CC1(C)C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000495913070 281241768 /nfs/dbraw/zinc/24/17/68/281241768.db2.gz PBQFDXPLUGLMCW-MRXNPFEDSA-N 2 2 325.478 1.688 20 0 EDADLP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000287796944 288325386 /nfs/dbraw/zinc/32/53/86/288325386.db2.gz OHPVZQRLAMREAH-SJLPKXTDSA-N 2 2 338.879 1.898 20 0 EDADLP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000287796944 288325388 /nfs/dbraw/zinc/32/53/88/288325388.db2.gz OHPVZQRLAMREAH-SJLPKXTDSA-N 2 2 338.879 1.898 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)nn1 ZINC000288502556 288500832 /nfs/dbraw/zinc/50/08/32/288500832.db2.gz IEINIWKRSPFUEL-UHFFFAOYSA-N 2 2 332.452 1.874 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000332065429 288722110 /nfs/dbraw/zinc/72/21/10/288722110.db2.gz SHPALQABDJBOQG-KFWWJZLASA-N 2 2 347.463 1.152 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420050639 288722122 /nfs/dbraw/zinc/72/21/22/288722122.db2.gz VGLLASSHPBTGBV-KFWWJZLASA-N 2 2 347.463 1.200 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000289713064 288765861 /nfs/dbraw/zinc/76/58/61/288765861.db2.gz GJMKCQKLNGTZGN-HNNXBMFYSA-N 2 2 325.416 1.498 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000291643944 289136551 /nfs/dbraw/zinc/13/65/51/289136551.db2.gz HPDSLXJSZHLLJK-OAHLLOKOSA-N 2 2 348.495 1.737 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000291643944 289136552 /nfs/dbraw/zinc/13/65/52/289136552.db2.gz HPDSLXJSZHLLJK-OAHLLOKOSA-N 2 2 348.495 1.737 20 0 EDADLP COCC(C)(C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000292065275 289252559 /nfs/dbraw/zinc/25/25/59/289252559.db2.gz CCIXSQWCXWVWDM-UHFFFAOYSA-N 2 2 334.464 1.477 20 0 EDADLP COCC(C)(C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000292065275 289252561 /nfs/dbraw/zinc/25/25/61/289252561.db2.gz CCIXSQWCXWVWDM-UHFFFAOYSA-N 2 2 334.464 1.477 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)c1c(F)cccc1F ZINC000417665454 289281186 /nfs/dbraw/zinc/28/11/86/289281186.db2.gz YRFJXAFBFZPCMQ-AWEZNQCLSA-N 2 2 340.418 1.961 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292287524 289307098 /nfs/dbraw/zinc/30/70/98/289307098.db2.gz VBUBFCYWWYMGSZ-CRAIPNDOSA-N 2 2 333.476 1.886 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000246553792 294245986 /nfs/dbraw/zinc/24/59/86/294245986.db2.gz DEMIBYUAGFEGPW-SJLPKXTDSA-N 2 2 345.491 1.866 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000246553792 294245992 /nfs/dbraw/zinc/24/59/92/294245992.db2.gz DEMIBYUAGFEGPW-SJLPKXTDSA-N 2 2 345.491 1.866 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000262899470 297109430 /nfs/dbraw/zinc/10/94/30/297109430.db2.gz XOJYOCOKWVHOJV-OIISXLGYSA-N 2 2 333.501 1.891 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000343071765 297228178 /nfs/dbraw/zinc/22/81/78/297228178.db2.gz NBVMNCFOMGAJJV-BFYDXBDKSA-N 2 2 335.496 1.507 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@H](C)O1 ZINC000333386169 297285986 /nfs/dbraw/zinc/28/59/86/297285986.db2.gz GFRVPZJOTIJEME-WNLTYMPLSA-N 2 2 332.448 1.770 20 0 EDADLP C[C@H]1COCCN1CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000369070363 300344219 /nfs/dbraw/zinc/34/42/19/300344219.db2.gz IRJOSGFKSRPRAF-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000369070363 300344224 /nfs/dbraw/zinc/34/42/24/300344224.db2.gz IRJOSGFKSRPRAF-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000369070363 300344226 /nfs/dbraw/zinc/34/42/26/300344226.db2.gz IRJOSGFKSRPRAF-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000369070363 300344229 /nfs/dbraw/zinc/34/42/29/300344229.db2.gz IRJOSGFKSRPRAF-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP CCC[NH2+]CCNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000419910279 304708929 /nfs/dbraw/zinc/70/89/29/304708929.db2.gz OKEUQGREKGPONT-UHFFFAOYSA-N 2 2 349.479 1.018 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419961671 304718080 /nfs/dbraw/zinc/71/80/80/304718080.db2.gz SUUDTPOPTTXVPG-LSDHHAIUSA-N 2 2 349.479 1.446 20 0 EDADLP COCCOc1cccc(CNC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420375649 304753271 /nfs/dbraw/zinc/75/32/71/304753271.db2.gz UBBSAYDOXIYZEJ-QMTMVMCOSA-N 2 2 349.475 1.304 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])[NH+]2CCOCC2)c1 ZINC000416995170 302020608 /nfs/dbraw/zinc/02/06/08/302020608.db2.gz LBYPNFGYPULFBR-DOTOQJQBSA-N 2 2 334.464 1.357 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000414733095 447319325 /nfs/dbraw/zinc/31/93/25/447319325.db2.gz CKXRRIVPXZORPX-CHWSQXEVSA-N 2 2 347.463 1.475 20 0 EDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000414745573 447321422 /nfs/dbraw/zinc/32/14/22/447321422.db2.gz PLFJZCBNVYHEPF-GFCCVEGCSA-N 2 2 333.436 1.229 20 0 EDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000414745573 447321429 /nfs/dbraw/zinc/32/14/29/447321429.db2.gz PLFJZCBNVYHEPF-GFCCVEGCSA-N 2 2 333.436 1.229 20 0 EDADLP Cc1cccc2[nH+]c(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)cn21 ZINC000171409582 302943573 /nfs/dbraw/zinc/94/35/73/302943573.db2.gz NRUBIOWZGXIETG-UHFFFAOYSA-N 2 2 341.459 1.383 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)NCCc2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000172991724 302949868 /nfs/dbraw/zinc/94/98/68/302949868.db2.gz UIFHXPBESBQEMW-QGZVFWFLSA-N 2 2 327.432 1.057 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000361254633 302987239 /nfs/dbraw/zinc/98/72/39/302987239.db2.gz ZYURYEGIZBXZQY-OWCLPIDISA-N 3 2 345.491 1.408 20 0 EDADLP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293722510 303009409 /nfs/dbraw/zinc/00/94/09/303009409.db2.gz MNTNZISIFFZWMZ-OAHLLOKOSA-N 2 2 334.493 1.573 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293722510 303009411 /nfs/dbraw/zinc/00/94/11/303009411.db2.gz MNTNZISIFFZWMZ-OAHLLOKOSA-N 2 2 334.493 1.573 20 0 EDADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295109300 303174239 /nfs/dbraw/zinc/17/42/39/303174239.db2.gz LLSVNZQYQCIQSP-CVEARBPZSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295109300 303174240 /nfs/dbraw/zinc/17/42/40/303174240.db2.gz LLSVNZQYQCIQSP-CVEARBPZSA-N 2 2 349.475 1.849 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295192925 303186638 /nfs/dbraw/zinc/18/66/38/303186638.db2.gz XMCSWKFGSNZFIT-YOEHRIQHSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295192925 303186640 /nfs/dbraw/zinc/18/66/40/303186640.db2.gz XMCSWKFGSNZFIT-YOEHRIQHSA-N 2 2 337.439 1.979 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2COc3ccccc3O2)CC1 ZINC000295291399 303200288 /nfs/dbraw/zinc/20/02/88/303200288.db2.gz MXUMLUIASPAKEQ-INIZCTEOSA-N 2 2 347.459 1.359 20 0 EDADLP COC(=O)COC[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000295736980 303260086 /nfs/dbraw/zinc/26/00/86/303260086.db2.gz ONUZGWJNYQCDGF-HUUCEWRRSA-N 2 2 335.448 1.775 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295990416 303287507 /nfs/dbraw/zinc/28/75/07/303287507.db2.gz OYBOXGILAULIRX-GOEBONIOSA-N 2 2 344.459 1.802 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295990416 303287508 /nfs/dbraw/zinc/28/75/08/303287508.db2.gz OYBOXGILAULIRX-GOEBONIOSA-N 2 2 344.459 1.802 20 0 EDADLP Cc1cc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cn2cc[nH+]c12 ZINC000297007797 303353486 /nfs/dbraw/zinc/35/34/86/303353486.db2.gz PPSMCVPOEBOCSH-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP CCOc1cc(C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)ccc1O ZINC000297855498 303456899 /nfs/dbraw/zinc/45/68/99/303456899.db2.gz OWLBQWRQHKCWBW-UHFFFAOYSA-N 2 2 349.475 1.777 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000298232779 303507896 /nfs/dbraw/zinc/50/78/96/303507896.db2.gz BKFIEICKVNGGCL-HUUCEWRRSA-N 2 2 347.463 1.058 20 0 EDADLP O=C(CCn1cc[nH+]c1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299611217 303636993 /nfs/dbraw/zinc/63/69/93/303636993.db2.gz OMBXHEGYMLRAJC-KRWDZBQOSA-N 2 2 328.416 1.463 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000427298509 304988132 /nfs/dbraw/zinc/98/81/32/304988132.db2.gz CYRYUVGRKNFQQW-HUUCEWRRSA-N 2 2 337.489 1.579 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038561 305005041 /nfs/dbraw/zinc/00/50/41/305005041.db2.gz YTJUSZOENJRRGT-PKOBYXMFSA-N 2 2 345.487 1.816 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038561 305005042 /nfs/dbraw/zinc/00/50/42/305005042.db2.gz YTJUSZOENJRRGT-PKOBYXMFSA-N 2 2 345.487 1.816 20 0 EDADLP Cc1ccc(C)c(C[N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000429286197 305027614 /nfs/dbraw/zinc/02/76/14/305027614.db2.gz QEQAUJBAVRPDKE-UHFFFAOYSA-N 2 2 347.503 1.962 20 0 EDADLP Cc1ccc(C)c(C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000429286197 305027615 /nfs/dbraw/zinc/02/76/15/305027615.db2.gz QEQAUJBAVRPDKE-UHFFFAOYSA-N 2 2 347.503 1.962 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429535059 305031621 /nfs/dbraw/zinc/03/16/21/305031621.db2.gz GXMGQXOBIBOAFB-MRXNPFEDSA-N 2 2 339.505 1.853 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429535059 305031622 /nfs/dbraw/zinc/03/16/22/305031622.db2.gz GXMGQXOBIBOAFB-MRXNPFEDSA-N 2 2 339.505 1.853 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000430567659 305056193 /nfs/dbraw/zinc/05/61/93/305056193.db2.gz BHZOLZZMRUOMAN-VQIMIIECSA-N 2 2 332.492 1.592 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430588627 305057346 /nfs/dbraw/zinc/05/73/46/305057346.db2.gz FLIXEKOWMUWROE-INIZCTEOSA-N 2 2 330.432 1.565 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430588627 305057347 /nfs/dbraw/zinc/05/73/47/305057347.db2.gz FLIXEKOWMUWROE-INIZCTEOSA-N 2 2 330.432 1.565 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C[NH3+])CC3)CC2)c1 ZINC000430598094 305057800 /nfs/dbraw/zinc/05/78/00/305057800.db2.gz BQVKHDOXXZIUDV-UHFFFAOYSA-N 3 2 344.503 1.310 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000430632307 305060400 /nfs/dbraw/zinc/06/04/00/305060400.db2.gz YAIREUCPZWSQRU-CQSZACIVSA-N 2 2 349.475 1.873 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000430632307 305060401 /nfs/dbraw/zinc/06/04/01/305060401.db2.gz YAIREUCPZWSQRU-CQSZACIVSA-N 2 2 349.475 1.873 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430634349 305060640 /nfs/dbraw/zinc/06/06/40/305060640.db2.gz BOTYCBWGUHFHOE-MAUKXSAKSA-N 2 2 349.450 1.657 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430634349 305060641 /nfs/dbraw/zinc/06/06/41/305060641.db2.gz BOTYCBWGUHFHOE-MAUKXSAKSA-N 2 2 349.450 1.657 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430647716 305061196 /nfs/dbraw/zinc/06/11/96/305061196.db2.gz QLGFQXIBRVCXIF-IAGOWNOFSA-N 3 2 345.491 1.322 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430647716 305061197 /nfs/dbraw/zinc/06/11/97/305061197.db2.gz QLGFQXIBRVCXIF-IAGOWNOFSA-N 3 2 345.491 1.322 20 0 EDADLP COCC[C@@]1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]C1 ZINC000430855737 305066159 /nfs/dbraw/zinc/06/61/59/305066159.db2.gz VYAVFFZFKSHTDQ-KRWDZBQOSA-N 2 2 337.489 1.409 20 0 EDADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000430909815 305067574 /nfs/dbraw/zinc/06/75/74/305067574.db2.gz CDTRLALOGUKUEW-CQSZACIVSA-N 2 2 338.415 1.871 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430918003 305067938 /nfs/dbraw/zinc/06/79/38/305067938.db2.gz GCPISIOYMRMEFV-QAPCUYQASA-N 2 2 333.476 1.802 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430918003 305067939 /nfs/dbraw/zinc/06/79/39/305067939.db2.gz GCPISIOYMRMEFV-QAPCUYQASA-N 2 2 333.476 1.802 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430927336 305068662 /nfs/dbraw/zinc/06/86/62/305068662.db2.gz IGSNNHDMILWECF-WFASDCNBSA-N 2 2 341.402 1.616 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430927336 305068663 /nfs/dbraw/zinc/06/86/63/305068663.db2.gz IGSNNHDMILWECF-WFASDCNBSA-N 2 2 341.402 1.616 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000430937005 305069158 /nfs/dbraw/zinc/06/91/58/305069158.db2.gz YMHCPTSKGRBJGM-HUUCEWRRSA-N 2 2 349.475 1.812 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000430937005 305069159 /nfs/dbraw/zinc/06/91/59/305069159.db2.gz YMHCPTSKGRBJGM-HUUCEWRRSA-N 2 2 349.475 1.812 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430948168 305070044 /nfs/dbraw/zinc/07/00/44/305070044.db2.gz HHEWPORHQKBTOL-MAUKXSAKSA-N 2 2 346.475 1.126 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430948168 305070045 /nfs/dbraw/zinc/07/00/45/305070045.db2.gz HHEWPORHQKBTOL-MAUKXSAKSA-N 3 2 346.475 1.126 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430948168 305070046 /nfs/dbraw/zinc/07/00/46/305070046.db2.gz HHEWPORHQKBTOL-MAUKXSAKSA-N 3 2 346.475 1.126 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430956752 305070726 /nfs/dbraw/zinc/07/07/26/305070726.db2.gz QAPQDVBXCYPQGN-IAGOWNOFSA-N 2 2 330.476 1.170 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430956752 305070727 /nfs/dbraw/zinc/07/07/27/305070727.db2.gz QAPQDVBXCYPQGN-IAGOWNOFSA-N 2 2 330.476 1.170 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000430958456 305070902 /nfs/dbraw/zinc/07/09/02/305070902.db2.gz SMXRUSFMWUJOGX-CQSZACIVSA-N 2 2 339.867 1.719 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)C1 ZINC000430958456 305070903 /nfs/dbraw/zinc/07/09/03/305070903.db2.gz SMXRUSFMWUJOGX-CQSZACIVSA-N 2 2 339.867 1.719 20 0 EDADLP C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000431012198 305072774 /nfs/dbraw/zinc/07/27/74/305072774.db2.gz DNYDAJLNYQIMSJ-KRWDZBQOSA-N 2 2 348.466 1.548 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000431012198 305072775 /nfs/dbraw/zinc/07/27/75/305072775.db2.gz DNYDAJLNYQIMSJ-KRWDZBQOSA-N 2 2 348.466 1.548 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000431053516 305073874 /nfs/dbraw/zinc/07/38/74/305073874.db2.gz OESNBPGUSRCRBH-QGZVFWFLSA-N 2 2 345.468 1.931 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000431053516 305073875 /nfs/dbraw/zinc/07/38/75/305073875.db2.gz OESNBPGUSRCRBH-QGZVFWFLSA-N 2 2 345.468 1.931 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433939213 305115153 /nfs/dbraw/zinc/11/51/53/305115153.db2.gz GUNVAAZQUDYHCY-UHFFFAOYSA-N 2 2 335.452 1.088 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000434177911 305118350 /nfs/dbraw/zinc/11/83/50/305118350.db2.gz ADHOTELRHAMGNU-IAGOWNOFSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000434177911 305118351 /nfs/dbraw/zinc/11/83/51/305118351.db2.gz ADHOTELRHAMGNU-IAGOWNOFSA-N 2 2 340.512 1.469 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434192857 305118631 /nfs/dbraw/zinc/11/86/31/305118631.db2.gz CPPGQHNOTAKNLB-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434192857 305118632 /nfs/dbraw/zinc/11/86/32/305118632.db2.gz CPPGQHNOTAKNLB-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCCC1 ZINC000434460380 305123091 /nfs/dbraw/zinc/12/30/91/305123091.db2.gz OLFVQABUCATVRF-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1csnn1)[C@H]1CC12CC[NH2+]CC2 ZINC000435555409 305142359 /nfs/dbraw/zinc/14/23/59/305142359.db2.gz FXTSHNTUXRDMSO-ZDUSSCGKSA-N 2 2 346.460 1.539 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435571523 305142812 /nfs/dbraw/zinc/14/28/12/305142812.db2.gz WEYSLLMIPMAYHC-HZPDHXFCSA-N 2 2 346.475 1.943 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435619180 305143442 /nfs/dbraw/zinc/14/34/42/305143442.db2.gz WVHFCATWRANTDV-GOEBONIOSA-N 2 2 347.463 1.260 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435619180 305143443 /nfs/dbraw/zinc/14/34/43/305143443.db2.gz WVHFCATWRANTDV-GOEBONIOSA-N 2 2 347.463 1.260 20 0 EDADLP CCCCNC(=O)CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697254 305145742 /nfs/dbraw/zinc/14/57/42/305145742.db2.gz RSQZRTROPPDWOM-OAHLLOKOSA-N 2 2 333.480 1.281 20 0 EDADLP CS[C@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1[NH+]1CCCC1 ZINC000436429324 305157199 /nfs/dbraw/zinc/15/71/99/305157199.db2.gz LYJIVHOKUKBKBV-CVEARBPZSA-N 2 2 333.505 1.481 20 0 EDADLP CS[C@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1[NH+]1CCCC1 ZINC000436429324 305157200 /nfs/dbraw/zinc/15/72/00/305157200.db2.gz LYJIVHOKUKBKBV-CVEARBPZSA-N 2 2 333.505 1.481 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3([S@](C)=O)CC3)sc2C1 ZINC000441387429 305221954 /nfs/dbraw/zinc/22/19/54/305221954.db2.gz XWFNFOYRMXFFQD-NRFANRHFSA-N 2 2 327.519 1.910 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3([S@](C)=O)CC3)sc2C1 ZINC000441387429 305221955 /nfs/dbraw/zinc/22/19/55/305221955.db2.gz XWFNFOYRMXFFQD-NRFANRHFSA-N 2 2 327.519 1.910 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2ccncc2OCC(F)F)CC1 ZINC000442868823 305230251 /nfs/dbraw/zinc/23/02/51/305230251.db2.gz AAFYAHVLNRGCEB-UHFFFAOYSA-N 2 2 329.391 1.926 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000447843627 305286835 /nfs/dbraw/zinc/28/68/35/305286835.db2.gz IEGXRISNPYGDPD-INIZCTEOSA-N 2 2 341.459 1.754 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000447843627 305286836 /nfs/dbraw/zinc/28/68/36/305286836.db2.gz IEGXRISNPYGDPD-INIZCTEOSA-N 2 2 341.459 1.754 20 0 EDADLP Cc1nn(C)c(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1Br ZINC000447929735 305289361 /nfs/dbraw/zinc/28/93/61/305289361.db2.gz IUTHEEDUHVTIMY-NSHDSACASA-N 2 2 344.301 1.217 20 0 EDADLP COc1cc(F)cc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)c1 ZINC000449145970 305307830 /nfs/dbraw/zinc/30/78/30/305307830.db2.gz ASUUNOSHXQTGRQ-UHFFFAOYSA-N 2 2 339.455 1.314 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000449161250 305308337 /nfs/dbraw/zinc/30/83/37/305308337.db2.gz DZSUGVICTIMMPW-GOSISDBHSA-N 2 2 329.448 1.333 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000449161250 305308338 /nfs/dbraw/zinc/30/83/38/305308338.db2.gz DZSUGVICTIMMPW-GOSISDBHSA-N 2 2 329.448 1.333 20 0 EDADLP CCn1nnc(C)c1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000449265585 305310128 /nfs/dbraw/zinc/31/01/28/305310128.db2.gz QRRRVVIFZNESLK-GJZGRUSLSA-N 2 2 349.458 1.384 20 0 EDADLP CCn1nnc(C)c1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000449265585 305310129 /nfs/dbraw/zinc/31/01/29/305310129.db2.gz QRRRVVIFZNESLK-GJZGRUSLSA-N 2 2 349.458 1.384 20 0 EDADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000451945940 305373055 /nfs/dbraw/zinc/37/30/55/305373055.db2.gz KBLGAVRIGDNRGC-CSMYWGQOSA-N 2 2 344.415 1.797 20 0 EDADLP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000452383089 305395850 /nfs/dbraw/zinc/39/58/50/305395850.db2.gz ODPTZMJCEPOLFW-INIZCTEOSA-N 2 2 328.416 1.449 20 0 EDADLP O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000452383089 305395851 /nfs/dbraw/zinc/39/58/51/305395851.db2.gz ODPTZMJCEPOLFW-INIZCTEOSA-N 2 2 328.416 1.449 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000515004115 305712163 /nfs/dbraw/zinc/71/21/63/305712163.db2.gz ZPNQWCDCZZUESH-GDBMZVCRSA-N 2 2 331.464 1.869 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000519813867 305775571 /nfs/dbraw/zinc/77/55/71/305775571.db2.gz WHKOBVPRDMVIKB-AWEZNQCLSA-N 2 2 333.436 1.348 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000521004012 305784449 /nfs/dbraw/zinc/78/44/49/305784449.db2.gz MWUPOBSXJYSDDK-HNNXBMFYSA-N 2 2 327.432 1.951 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000528752061 305887846 /nfs/dbraw/zinc/88/78/46/305887846.db2.gz DDIRJISDPXDPRZ-AXVVYFOYSA-N 2 2 345.487 1.732 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529282752 305906709 /nfs/dbraw/zinc/90/67/09/305906709.db2.gz JJMWPNUQJOLOFG-INIZCTEOSA-N 2 2 327.432 1.929 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000534144888 306004100 /nfs/dbraw/zinc/00/41/00/306004100.db2.gz LQESMQJXVRFNGY-SJORKVTESA-N 2 2 335.448 1.069 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[NH+](Cc2cccnc2)CC1 ZINC000538652232 306031554 /nfs/dbraw/zinc/03/15/54/306031554.db2.gz FHMMXKHXDFRURF-UHFFFAOYSA-N 2 2 339.443 1.501 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)CC1 ZINC000540078908 306038801 /nfs/dbraw/zinc/03/88/01/306038801.db2.gz CIPOZFZJRHODOC-UHFFFAOYSA-N 2 2 345.487 1.811 20 0 EDADLP CN(CCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)c1cc[nH+]cc1 ZINC000540927106 306041791 /nfs/dbraw/zinc/04/17/91/306041791.db2.gz FZPXQDXGXZVIRO-UHFFFAOYSA-N 2 2 346.435 1.404 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000547629780 306105811 /nfs/dbraw/zinc/10/58/11/306105811.db2.gz ZXBXXRVEPNJASS-HZPDHXFCSA-N 2 2 345.422 1.939 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)cn1 ZINC000547763359 306111010 /nfs/dbraw/zinc/11/10/10/306111010.db2.gz CEOGTQUJEPLPMU-UHFFFAOYSA-N 2 2 330.436 1.155 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)cn1 ZINC000547763359 306111011 /nfs/dbraw/zinc/11/10/11/306111011.db2.gz CEOGTQUJEPLPMU-UHFFFAOYSA-N 2 2 330.436 1.155 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000554468994 306192262 /nfs/dbraw/zinc/19/22/62/306192262.db2.gz RHPSIDOTCCXKHZ-HOTGVXAUSA-N 2 2 333.480 1.359 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493696117 447370485 /nfs/dbraw/zinc/37/04/85/447370485.db2.gz WOMIYEDVOLZAQG-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493696117 447370489 /nfs/dbraw/zinc/37/04/89/447370489.db2.gz WOMIYEDVOLZAQG-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)CCOC)CC2)CC1 ZINC000422159913 447379370 /nfs/dbraw/zinc/37/93/70/447379370.db2.gz RTHCSKMRDFCNRD-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)CCOC)CC2)CC1 ZINC000422159913 447379373 /nfs/dbraw/zinc/37/93/73/447379373.db2.gz RTHCSKMRDFCNRD-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000456392924 447385986 /nfs/dbraw/zinc/38/59/86/447385986.db2.gz XLFUTXDWCMROAM-KRWDZBQOSA-N 2 2 346.475 1.470 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000456392924 447385989 /nfs/dbraw/zinc/38/59/89/447385989.db2.gz XLFUTXDWCMROAM-KRWDZBQOSA-N 2 2 346.475 1.470 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)CCC2 ZINC000458570742 447416441 /nfs/dbraw/zinc/41/64/41/447416441.db2.gz LTPJQMSDJCGBAZ-HOTGVXAUSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)CCC2 ZINC000458570742 447416445 /nfs/dbraw/zinc/41/64/45/447416445.db2.gz LTPJQMSDJCGBAZ-HOTGVXAUSA-N 2 2 349.479 1.215 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045764037 441033119 /nfs/dbraw/zinc/03/31/19/441033119.db2.gz NHDGBDBIJUIFKL-OAHLLOKOSA-N 2 2 328.416 1.382 20 0 EDADLP CN(C)C(=O)CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000070703358 441116342 /nfs/dbraw/zinc/11/63/42/441116342.db2.gz KKMLXQSPAPIOLD-UHFFFAOYSA-N 2 2 327.432 1.078 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046099020 441081851 /nfs/dbraw/zinc/08/18/51/441081851.db2.gz YTMWJDQSAGJRTQ-HZPDHXFCSA-N 2 2 340.431 1.693 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000046099020 441081852 /nfs/dbraw/zinc/08/18/52/441081852.db2.gz YTMWJDQSAGJRTQ-HZPDHXFCSA-N 2 2 340.431 1.693 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000105112458 441234750 /nfs/dbraw/zinc/23/47/50/441234750.db2.gz JCDQRHNYZHHEBS-UHFFFAOYSA-N 2 2 343.475 1.536 20 0 EDADLP C[C@@H](CNC(=O)N(C)CC[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000105167514 441240203 /nfs/dbraw/zinc/24/02/03/441240203.db2.gz QJFWJOGMIMZVCD-INIZCTEOSA-N 2 2 326.485 1.082 20 0 EDADLP Cc1ccc(C[NH+](C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000016375943 441221322 /nfs/dbraw/zinc/22/13/22/441221322.db2.gz RVANYYMQMLTSOF-IBGZPJMESA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccc(C[NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000016375943 441221325 /nfs/dbraw/zinc/22/13/25/441221325.db2.gz RVANYYMQMLTSOF-IBGZPJMESA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccc(C[N@@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC000016375943 441221328 /nfs/dbraw/zinc/22/13/28/441221328.db2.gz RVANYYMQMLTSOF-IBGZPJMESA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccc(C[N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC000016375943 441221330 /nfs/dbraw/zinc/22/13/30/441221330.db2.gz RVANYYMQMLTSOF-IBGZPJMESA-N 2 2 347.503 1.900 20 0 EDADLP CC[NH+]1CCN(CC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000081410784 441264409 /nfs/dbraw/zinc/26/44/09/441264409.db2.gz YRFOQDOYBAVHJN-UHFFFAOYSA-N 2 2 345.491 1.113 20 0 EDADLP CCC[C@H](O)[C@@H](CO)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000419832695 447438687 /nfs/dbraw/zinc/43/86/87/447438687.db2.gz VSEIAHVCNWVZCK-KGLIPLIRSA-N 2 2 327.494 1.521 20 0 EDADLP CCC[C@H](O)[C@@H](CO)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000419832695 447438690 /nfs/dbraw/zinc/43/86/90/447438690.db2.gz VSEIAHVCNWVZCK-KGLIPLIRSA-N 2 2 327.494 1.521 20 0 EDADLP C[NH+]1CCC(CNC(=O)CC2(O)CCCC2)([NH+]2CCCCC2)CC1 ZINC000081466010 441273582 /nfs/dbraw/zinc/27/35/82/441273582.db2.gz JEALLGVNJGDWHF-UHFFFAOYSA-N 2 2 337.508 1.748 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000072956304 441279845 /nfs/dbraw/zinc/27/98/45/441279845.db2.gz JXGWIQDFDDBROE-AEFFLSMTSA-N 2 2 330.476 1.894 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000072956304 441279850 /nfs/dbraw/zinc/27/98/50/441279850.db2.gz JXGWIQDFDDBROE-AEFFLSMTSA-N 2 2 330.476 1.894 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000072956304 441279856 /nfs/dbraw/zinc/27/98/56/441279856.db2.gz JXGWIQDFDDBROE-AEFFLSMTSA-N 2 2 330.476 1.894 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000072956304 441279858 /nfs/dbraw/zinc/27/98/58/441279858.db2.gz JXGWIQDFDDBROE-AEFFLSMTSA-N 2 2 330.476 1.894 20 0 EDADLP CC[NH+]1CCN(CC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000073130397 441296791 /nfs/dbraw/zinc/29/67/91/441296791.db2.gz LAGCQFXZYSTTES-UHFFFAOYSA-N 2 2 334.464 1.303 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)C2=O)cn1 ZINC000081636537 441297644 /nfs/dbraw/zinc/29/76/44/441297644.db2.gz YSFYTBSBSNXTFV-SJLPKXTDSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)C2=O)cn1 ZINC000081636537 441297648 /nfs/dbraw/zinc/29/76/48/441297648.db2.gz YSFYTBSBSNXTFV-SJLPKXTDSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)C2=O)cn1 ZINC000081636537 441297651 /nfs/dbraw/zinc/29/76/51/441297651.db2.gz YSFYTBSBSNXTFV-SJLPKXTDSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)C2=O)cn1 ZINC000081636537 441297654 /nfs/dbraw/zinc/29/76/54/441297654.db2.gz YSFYTBSBSNXTFV-SJLPKXTDSA-N 2 2 345.491 1.579 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000073352843 441311438 /nfs/dbraw/zinc/31/14/38/441311438.db2.gz KKZNECFADUVFSF-UHFFFAOYSA-N 2 2 327.432 1.999 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Cn1cc[nH+]c1 ZINC000081800015 441316238 /nfs/dbraw/zinc/31/62/38/441316238.db2.gz QMUBOPQIBLVXKZ-WMZOPIPTSA-N 2 2 342.443 1.536 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Cn1cc[nH+]c1 ZINC000081800015 441316243 /nfs/dbraw/zinc/31/62/43/441316243.db2.gz QMUBOPQIBLVXKZ-WMZOPIPTSA-N 2 2 342.443 1.536 20 0 EDADLP CCOCC[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000107677749 441424188 /nfs/dbraw/zinc/42/41/88/441424188.db2.gz SSKUZESVHCNILI-UHFFFAOYSA-N 2 2 347.503 1.998 20 0 EDADLP CCOCC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000107677749 441424192 /nfs/dbraw/zinc/42/41/92/441424192.db2.gz SSKUZESVHCNILI-UHFFFAOYSA-N 2 2 347.503 1.998 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH+]1CCOCC1 ZINC000074192938 441405339 /nfs/dbraw/zinc/40/53/39/441405339.db2.gz APABPQDBVWRGSH-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000087084063 441478754 /nfs/dbraw/zinc/47/87/54/441478754.db2.gz CJRGNOFWUTVBRD-GOSISDBHSA-N 2 2 349.450 1.317 20 0 EDADLP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000087084063 441478756 /nfs/dbraw/zinc/47/87/56/441478756.db2.gz CJRGNOFWUTVBRD-GOSISDBHSA-N 2 2 349.450 1.317 20 0 EDADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000087084064 441479216 /nfs/dbraw/zinc/47/92/16/441479216.db2.gz CJRGNOFWUTVBRD-SFHVURJKSA-N 2 2 349.450 1.317 20 0 EDADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000087084064 441479219 /nfs/dbraw/zinc/47/92/19/441479219.db2.gz CJRGNOFWUTVBRD-SFHVURJKSA-N 2 2 349.450 1.317 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCSC2)([NH+]2CCCCC2)CC1 ZINC000074768210 441465661 /nfs/dbraw/zinc/46/56/61/441465661.db2.gz VWCKALFMRDUPIX-HNNXBMFYSA-N 2 2 340.537 1.741 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC1CCC2(CC1)OCCO2 ZINC000109796220 441508206 /nfs/dbraw/zinc/50/82/06/441508206.db2.gz UKSOSLNKVWLBQL-UHFFFAOYSA-N 2 2 348.447 1.322 20 0 EDADLP C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3cscn3)CC2)CC1 ZINC000076051259 441586945 /nfs/dbraw/zinc/58/69/45/441586945.db2.gz VDZAPNFFXKAQDM-UHFFFAOYSA-N 2 2 337.493 1.501 20 0 EDADLP C[N@H+](CCNC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000054762817 441596009 /nfs/dbraw/zinc/59/60/09/441596009.db2.gz NTQBQTYFUIKYKG-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000054762817 441596011 /nfs/dbraw/zinc/59/60/11/441596011.db2.gz NTQBQTYFUIKYKG-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP C[NH+](C)C1(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCOCC1 ZINC000113925417 441627833 /nfs/dbraw/zinc/62/78/33/441627833.db2.gz FYVSMGCRSNTIRY-HNNXBMFYSA-N 2 2 349.479 1.208 20 0 EDADLP CN(C)CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000114381743 441650919 /nfs/dbraw/zinc/65/09/19/441650919.db2.gz QPFBCSVXFJQPLX-IBGZPJMESA-N 2 2 346.519 1.679 20 0 EDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000114381743 441650921 /nfs/dbraw/zinc/65/09/21/441650921.db2.gz QPFBCSVXFJQPLX-IBGZPJMESA-N 2 2 346.519 1.679 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000076555612 441658353 /nfs/dbraw/zinc/65/83/53/441658353.db2.gz GPQRZPGQNUSFKY-QGZVFWFLSA-N 2 2 346.475 1.617 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000076555612 441658355 /nfs/dbraw/zinc/65/83/55/441658355.db2.gz GPQRZPGQNUSFKY-QGZVFWFLSA-N 2 2 346.475 1.617 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000114480271 441662928 /nfs/dbraw/zinc/66/29/28/441662928.db2.gz YGJSWQRTIUIDSH-QAPCUYQASA-N 2 2 349.450 1.609 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000114480271 441662930 /nfs/dbraw/zinc/66/29/30/441662930.db2.gz YGJSWQRTIUIDSH-QAPCUYQASA-N 2 2 349.450 1.609 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000113512924 441613113 /nfs/dbraw/zinc/61/31/13/441613113.db2.gz STELJZZXLCPWDA-AWEZNQCLSA-N 2 2 341.402 1.788 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000113512924 441613117 /nfs/dbraw/zinc/61/31/17/441613117.db2.gz STELJZZXLCPWDA-AWEZNQCLSA-N 2 2 341.402 1.788 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114782129 441682927 /nfs/dbraw/zinc/68/29/27/441682927.db2.gz VUVXPPFGUANOLI-SFHVURJKSA-N 2 2 346.475 1.282 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114782129 441682929 /nfs/dbraw/zinc/68/29/29/441682929.db2.gz VUVXPPFGUANOLI-SFHVURJKSA-N 2 2 346.475 1.282 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000158275867 441715812 /nfs/dbraw/zinc/71/58/12/441715812.db2.gz CJCUORXXNVJZJM-CABCVRRESA-N 2 2 337.468 1.095 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C[NH+]1CCOCC1 ZINC000158693016 441757513 /nfs/dbraw/zinc/75/75/13/441757513.db2.gz KQIWQTQDJAYKDK-NVXWUHKLSA-N 2 2 348.447 1.213 20 0 EDADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1Cc2ccccc2C1 ZINC000138430654 441791082 /nfs/dbraw/zinc/79/10/82/441791082.db2.gz RYDNEHHXRWLAOA-UHFFFAOYSA-N 2 2 345.487 1.313 20 0 EDADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1Cc2ccccc2C1 ZINC000138430654 441791084 /nfs/dbraw/zinc/79/10/84/441791084.db2.gz RYDNEHHXRWLAOA-UHFFFAOYSA-N 2 2 345.487 1.313 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000139017134 441802960 /nfs/dbraw/zinc/80/29/60/441802960.db2.gz WRHGMAGOVNBZTH-YLFCFFPRSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000139017134 441802964 /nfs/dbraw/zinc/80/29/64/441802964.db2.gz WRHGMAGOVNBZTH-YLFCFFPRSA-N 2 2 338.496 1.221 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173905051 441858939 /nfs/dbraw/zinc/85/89/39/441858939.db2.gz RKJMBIHWMJDFMW-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173905051 441858943 /nfs/dbraw/zinc/85/89/43/441858943.db2.gz RKJMBIHWMJDFMW-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173905051 441858946 /nfs/dbraw/zinc/85/89/46/441858946.db2.gz RKJMBIHWMJDFMW-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173905051 441858949 /nfs/dbraw/zinc/85/89/49/441858949.db2.gz RKJMBIHWMJDFMW-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174199241 441902346 /nfs/dbraw/zinc/90/23/46/441902346.db2.gz KEKGFNROGRVLRK-MRXNPFEDSA-N 2 2 342.443 1.525 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC[N@H+]3C)CC2)[nH+]c1 ZINC000174350395 441914901 /nfs/dbraw/zinc/91/49/01/441914901.db2.gz TZUHOSKBEXDOJN-INIZCTEOSA-N 2 2 331.464 1.752 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)[nH+]c1 ZINC000174350395 441914905 /nfs/dbraw/zinc/91/49/05/441914905.db2.gz TZUHOSKBEXDOJN-INIZCTEOSA-N 2 2 331.464 1.752 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124444721 441928145 /nfs/dbraw/zinc/92/81/45/441928145.db2.gz ZMGIGIQQMXSPLF-LBPRGKRZSA-N 2 2 342.403 1.402 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124444721 441928149 /nfs/dbraw/zinc/92/81/49/441928149.db2.gz ZMGIGIQQMXSPLF-LBPRGKRZSA-N 2 2 342.403 1.402 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCc2ccccc21 ZINC000174720711 441959719 /nfs/dbraw/zinc/95/97/19/441959719.db2.gz YYFVBQPJLUDQJL-UHFFFAOYSA-N 2 2 330.476 1.145 20 0 EDADLP O=C1[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1CC(F)(F)F ZINC000151218981 442026620 /nfs/dbraw/zinc/02/66/20/442026620.db2.gz DHEYFBPZVRJIQP-UONOGXRCSA-N 2 2 333.398 1.957 20 0 EDADLP O=C1[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1CC(F)(F)F ZINC000151218981 442026623 /nfs/dbraw/zinc/02/66/23/442026623.db2.gz DHEYFBPZVRJIQP-UONOGXRCSA-N 2 2 333.398 1.957 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(Cl)nc2)CC1 ZINC000175651520 442099066 /nfs/dbraw/zinc/09/90/66/442099066.db2.gz YQPFHYPXCBHSAA-UHFFFAOYSA-N 2 2 339.871 1.560 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121164883 442185781 /nfs/dbraw/zinc/18/57/81/442185781.db2.gz BSSLIFJDBGJUQF-IBGZPJMESA-N 3 2 344.503 1.214 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121164883 442185783 /nfs/dbraw/zinc/18/57/83/442185783.db2.gz BSSLIFJDBGJUQF-IBGZPJMESA-N 3 2 344.503 1.214 20 0 EDADLP C[NH+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121164883 442185785 /nfs/dbraw/zinc/18/57/85/442185785.db2.gz BSSLIFJDBGJUQF-IBGZPJMESA-N 3 2 344.503 1.214 20 0 EDADLP C[NH+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121164883 442185788 /nfs/dbraw/zinc/18/57/88/442185788.db2.gz BSSLIFJDBGJUQF-IBGZPJMESA-N 3 2 344.503 1.214 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000121226451 442194189 /nfs/dbraw/zinc/19/41/89/442194189.db2.gz JOQPUHNZOVLJRZ-GVDBMIGSSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000121226451 442194191 /nfs/dbraw/zinc/19/41/91/442194191.db2.gz JOQPUHNZOVLJRZ-GVDBMIGSSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CC[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000164671887 442200879 /nfs/dbraw/zinc/20/08/79/442200879.db2.gz GNVQPUJVXJCWLB-QWQRMKEZSA-N 2 2 332.448 1.311 20 0 EDADLP COc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(OC)c1 ZINC000152358748 442202061 /nfs/dbraw/zinc/20/20/61/442202061.db2.gz AMSIVFSHBLFCMZ-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(OC)c1 ZINC000152358748 442202065 /nfs/dbraw/zinc/20/20/65/442202065.db2.gz AMSIVFSHBLFCMZ-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000152358748 442202069 /nfs/dbraw/zinc/20/20/69/442202069.db2.gz AMSIVFSHBLFCMZ-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000152358748 442202071 /nfs/dbraw/zinc/20/20/71/442202071.db2.gz AMSIVFSHBLFCMZ-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000170693809 442250099 /nfs/dbraw/zinc/25/00/99/442250099.db2.gz VXKQWDNFQJDEKV-CALCHBBNSA-N 2 2 341.496 1.104 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000170693809 442250100 /nfs/dbraw/zinc/25/01/00/442250100.db2.gz VXKQWDNFQJDEKV-CALCHBBNSA-N 2 2 341.496 1.104 20 0 EDADLP COCC[NH+]1CCN(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000165026533 442205754 /nfs/dbraw/zinc/20/57/54/442205754.db2.gz FVJLJSFODHONLI-INIZCTEOSA-N 2 2 347.463 1.024 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000165544308 442209769 /nfs/dbraw/zinc/20/97/69/442209769.db2.gz SXOGEVWATXTVNL-ZQIUZPCESA-N 2 2 349.500 1.575 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000165677975 442210887 /nfs/dbraw/zinc/21/08/87/442210887.db2.gz UKQUPYRDCDKWHU-MSOLQXFVSA-N 2 2 331.460 1.627 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C[N@@H+]1C1CC1 ZINC000127930351 442233805 /nfs/dbraw/zinc/23/38/05/442233805.db2.gz CJIGYKBHNDJDPG-RDJZCZTQSA-N 2 2 343.475 1.534 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C[N@H+]1C1CC1 ZINC000127930351 442233808 /nfs/dbraw/zinc/23/38/08/442233808.db2.gz CJIGYKBHNDJDPG-RDJZCZTQSA-N 2 2 343.475 1.534 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CCO1 ZINC000170828945 442270406 /nfs/dbraw/zinc/27/04/06/442270406.db2.gz YLXIMZXFAYFCMY-HOCLYGCPSA-N 2 2 347.463 1.152 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177152492 442306178 /nfs/dbraw/zinc/30/61/78/442306178.db2.gz UISZEADVIUMPFO-RBUKOAKNSA-N 2 2 345.487 1.941 20 0 EDADLP CNC(=O)Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000129437057 442316382 /nfs/dbraw/zinc/31/63/82/442316382.db2.gz JKMVNWDHIPYKOT-OCCSQVGLSA-N 2 2 333.461 1.711 20 0 EDADLP CNC(=O)Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000129437057 442316385 /nfs/dbraw/zinc/31/63/85/442316385.db2.gz JKMVNWDHIPYKOT-OCCSQVGLSA-N 2 2 333.461 1.711 20 0 EDADLP CC(C)n1ccnc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000171941047 442392426 /nfs/dbraw/zinc/39/24/26/442392426.db2.gz DFDVZGTXIKMLOS-UHFFFAOYSA-N 2 2 347.507 1.840 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccn1 ZINC000155644389 442415865 /nfs/dbraw/zinc/41/58/65/442415865.db2.gz ZYEICMLSEVMOKJ-OAHLLOKOSA-N 2 2 343.431 1.097 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)[nH+]1 ZINC000155910624 442435709 /nfs/dbraw/zinc/43/57/09/442435709.db2.gz GFIHNFZIZUKOAT-INIZCTEOSA-N 2 2 344.459 1.971 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000178461283 442435822 /nfs/dbraw/zinc/43/58/22/442435822.db2.gz PAIJYIKIVVZFIU-SJORKVTESA-N 2 2 349.479 1.340 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000178522731 442441251 /nfs/dbraw/zinc/44/12/51/442441251.db2.gz NMGWBQNRDKDJHD-PXNSSMCTSA-N 3 2 346.519 1.728 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000178522731 442441252 /nfs/dbraw/zinc/44/12/52/442441252.db2.gz NMGWBQNRDKDJHD-PXNSSMCTSA-N 3 2 346.519 1.728 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000156103049 442447308 /nfs/dbraw/zinc/44/73/08/442447308.db2.gz IWDXBTUIFPJDQF-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000178740756 442470844 /nfs/dbraw/zinc/47/08/44/442470844.db2.gz DYDZYXKWJVSXND-IBGZPJMESA-N 2 2 327.472 1.914 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000178740756 442470850 /nfs/dbraw/zinc/47/08/50/442470850.db2.gz DYDZYXKWJVSXND-IBGZPJMESA-N 2 2 327.472 1.914 20 0 EDADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000180145914 442547559 /nfs/dbraw/zinc/54/75/59/442547559.db2.gz ODEASDCACLOHNM-CYBMUJFWSA-N 2 2 334.445 1.882 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000180142218 442547649 /nfs/dbraw/zinc/54/76/49/442547649.db2.gz ZJQCSHIQBZJQSJ-KRWDZBQOSA-N 2 2 327.432 1.073 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000180142218 442547652 /nfs/dbraw/zinc/54/76/52/442547652.db2.gz ZJQCSHIQBZJQSJ-KRWDZBQOSA-N 2 2 327.432 1.073 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000186331111 442513793 /nfs/dbraw/zinc/51/37/93/442513793.db2.gz AHCPCQGWEIGFBX-UHFFFAOYSA-N 2 2 338.452 1.187 20 0 EDADLP CSc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000172697545 442523185 /nfs/dbraw/zinc/52/31/85/442523185.db2.gz XSYXNOQVBXTLHU-INIZCTEOSA-N 2 2 349.500 1.431 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000186405550 442527723 /nfs/dbraw/zinc/52/77/23/442527723.db2.gz PGFMBOABWJNLGM-CQSZACIVSA-N 2 2 345.447 1.785 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000186405550 442527729 /nfs/dbraw/zinc/52/77/29/442527729.db2.gz PGFMBOABWJNLGM-CQSZACIVSA-N 2 2 345.447 1.785 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000172738105 442529624 /nfs/dbraw/zinc/52/96/24/442529624.db2.gz JNHSMOIMQIDELH-DOTOQJQBSA-N 2 2 335.448 1.562 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ncccn3)CC2)CC1 ZINC000192016413 442569505 /nfs/dbraw/zinc/56/95/05/442569505.db2.gz RKKFOEWIOSGJBB-UHFFFAOYSA-N 2 2 331.464 1.243 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000157381580 442577237 /nfs/dbraw/zinc/57/72/37/442577237.db2.gz YKYXXTIHNYALGU-IRXDYDNUSA-N 2 2 331.460 1.206 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)C2)CC1 ZINC000157381580 442577244 /nfs/dbraw/zinc/57/72/44/442577244.db2.gz YKYXXTIHNYALGU-IRXDYDNUSA-N 2 2 331.460 1.206 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000186590720 442567467 /nfs/dbraw/zinc/56/74/67/442567467.db2.gz REFYKIPYUXTFNW-TZIWHRDSSA-N 3 2 344.547 1.919 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000186590720 442567468 /nfs/dbraw/zinc/56/74/68/442567468.db2.gz REFYKIPYUXTFNW-TZIWHRDSSA-N 3 2 344.547 1.919 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cn2c1 ZINC000192488717 442652750 /nfs/dbraw/zinc/65/27/50/442652750.db2.gz VKSDRTDQYANBTP-GASCZTMLSA-N 2 2 344.484 1.896 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cn2c1 ZINC000192488717 442652754 /nfs/dbraw/zinc/65/27/54/442652754.db2.gz VKSDRTDQYANBTP-GASCZTMLSA-N 2 2 344.484 1.896 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000173150453 442611738 /nfs/dbraw/zinc/61/17/38/442611738.db2.gz HPCXZPIIZXQTOP-INMHGKMJSA-N 2 2 341.496 1.005 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(CCCO)CC(C)(C)C)CC1 ZINC000179283301 442611994 /nfs/dbraw/zinc/61/19/94/442611994.db2.gz CHLLOTLYNHMILG-UHFFFAOYSA-N 2 2 342.528 1.453 20 0 EDADLP CCC[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1CCOC ZINC000179316835 442619180 /nfs/dbraw/zinc/61/91/80/442619180.db2.gz BFSXMEXIYQRELE-INIZCTEOSA-N 2 2 330.432 1.907 20 0 EDADLP CCC[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1CCOC ZINC000179316835 442619183 /nfs/dbraw/zinc/61/91/83/442619183.db2.gz BFSXMEXIYQRELE-INIZCTEOSA-N 2 2 330.432 1.907 20 0 EDADLP CO[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000179319655 442620308 /nfs/dbraw/zinc/62/03/08/442620308.db2.gz IHNLUQXHISUDQR-OAHLLOKOSA-N 2 2 328.501 1.373 20 0 EDADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000192289159 442626365 /nfs/dbraw/zinc/62/63/65/442626365.db2.gz PNCRAWGVQIXOID-UHFFFAOYSA-N 2 2 344.415 1.625 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000180601878 442632313 /nfs/dbraw/zinc/63/23/13/442632313.db2.gz JQXJRGMRSOCWCH-CQSZACIVSA-N 2 2 335.473 1.559 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000180601878 442632315 /nfs/dbraw/zinc/63/23/15/442632315.db2.gz JQXJRGMRSOCWCH-CQSZACIVSA-N 2 2 335.473 1.559 20 0 EDADLP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181023882 442675150 /nfs/dbraw/zinc/67/51/50/442675150.db2.gz FCVKMMSPJJNJRD-CABCVRRESA-N 2 2 343.537 1.429 20 0 EDADLP C[C@H](CCc1ccco1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022910 442675370 /nfs/dbraw/zinc/67/53/70/442675370.db2.gz GXJWDVVWKKFNHJ-HZPDHXFCSA-N 2 2 335.448 1.123 20 0 EDADLP COc1ccccc1C[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000192709060 442679096 /nfs/dbraw/zinc/67/90/96/442679096.db2.gz DAKUGFJENCNIJU-QGZVFWFLSA-N 2 2 333.476 1.534 20 0 EDADLP COc1ccccc1C[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000192709060 442679098 /nfs/dbraw/zinc/67/90/98/442679098.db2.gz DAKUGFJENCNIJU-QGZVFWFLSA-N 2 2 333.476 1.534 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000187705209 442687243 /nfs/dbraw/zinc/68/72/43/442687243.db2.gz ZQYHXCFMVSFGGF-UHFFFAOYSA-N 2 2 341.415 1.363 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000187705209 442687245 /nfs/dbraw/zinc/68/72/45/442687245.db2.gz ZQYHXCFMVSFGGF-UHFFFAOYSA-N 2 2 341.415 1.363 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000193596871 442757482 /nfs/dbraw/zinc/75/74/82/442757482.db2.gz AHGOJILJLLBECN-INIZCTEOSA-N 2 2 349.475 1.558 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000182030127 442730158 /nfs/dbraw/zinc/73/01/58/442730158.db2.gz NTBNQSBIKVLWKR-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000182030127 442730161 /nfs/dbraw/zinc/73/01/61/442730161.db2.gz NTBNQSBIKVLWKR-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000193596871 442757483 /nfs/dbraw/zinc/75/74/83/442757483.db2.gz AHGOJILJLLBECN-INIZCTEOSA-N 2 2 349.475 1.558 20 0 EDADLP C[C@@H](C(=O)NC1(C)CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000193388001 442738536 /nfs/dbraw/zinc/73/85/36/442738536.db2.gz PTCJKJAHILNDQD-HNNXBMFYSA-N 2 2 348.466 1.595 20 0 EDADLP CC(C)CNC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317852 442738594 /nfs/dbraw/zinc/73/85/94/442738594.db2.gz DMLHCGOUMNMDRA-LJQANCHMSA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)CNC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317852 442738597 /nfs/dbraw/zinc/73/85/97/442738597.db2.gz DMLHCGOUMNMDRA-LJQANCHMSA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)CNC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188317852 442738599 /nfs/dbraw/zinc/73/85/99/442738599.db2.gz DMLHCGOUMNMDRA-LJQANCHMSA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)CNC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188317852 442738602 /nfs/dbraw/zinc/73/86/02/442738602.db2.gz DMLHCGOUMNMDRA-LJQANCHMSA-N 2 2 333.476 1.327 20 0 EDADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000182691780 442808259 /nfs/dbraw/zinc/80/82/59/442808259.db2.gz FIXOYKGMCJDJRS-UONOGXRCSA-N 2 2 330.519 1.983 20 0 EDADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000182691780 442808261 /nfs/dbraw/zinc/80/82/61/442808261.db2.gz FIXOYKGMCJDJRS-UONOGXRCSA-N 2 2 330.519 1.983 20 0 EDADLP CCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000182415333 442765103 /nfs/dbraw/zinc/76/51/03/442765103.db2.gz KGRVRQWLKFHYGC-UONOGXRCSA-N 2 2 325.478 1.673 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)C[N@@H+]1C1CC1 ZINC000267867966 442772954 /nfs/dbraw/zinc/77/29/54/442772954.db2.gz BZYNBOTWDVFPLP-CABCVRRESA-N 2 2 332.448 1.732 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)C[N@H+]1C1CC1 ZINC000267867966 442772962 /nfs/dbraw/zinc/77/29/62/442772962.db2.gz BZYNBOTWDVFPLP-CABCVRRESA-N 2 2 332.448 1.732 20 0 EDADLP CC[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+](CC)CC ZINC000265464554 442783183 /nfs/dbraw/zinc/78/31/83/442783183.db2.gz YFXODGQEGUNUGR-INIZCTEOSA-N 2 2 334.464 1.655 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247049173 442831114 /nfs/dbraw/zinc/83/11/14/442831114.db2.gz NCWGPSFZPIBMFI-ZWKOTPCHSA-N 3 2 346.523 1.309 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247049173 442831118 /nfs/dbraw/zinc/83/11/18/442831118.db2.gz NCWGPSFZPIBMFI-ZWKOTPCHSA-N 3 2 346.523 1.309 20 0 EDADLP COCC[N@H+](C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000182730035 442815458 /nfs/dbraw/zinc/81/54/58/442815458.db2.gz NCFGVYSLEWUOKX-HNNXBMFYSA-N 2 2 329.485 1.944 20 0 EDADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000182730035 442815462 /nfs/dbraw/zinc/81/54/62/442815462.db2.gz NCFGVYSLEWUOKX-HNNXBMFYSA-N 2 2 329.485 1.944 20 0 EDADLP COC(=O)c1coc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182888648 442842738 /nfs/dbraw/zinc/84/27/38/442842738.db2.gz OIFRUBZHDJNGCA-INIZCTEOSA-N 2 2 335.448 1.668 20 0 EDADLP COC(=O)c1coc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182888648 442842744 /nfs/dbraw/zinc/84/27/44/442842744.db2.gz OIFRUBZHDJNGCA-INIZCTEOSA-N 2 2 335.448 1.668 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)/C=C/C[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000265636202 442856036 /nfs/dbraw/zinc/85/60/36/442856036.db2.gz KUHXTWPCLFMVAH-SHCNBLLESA-N 2 2 331.460 1.602 20 0 EDADLP C[NH+](C)C/C=C/C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000265686674 442879745 /nfs/dbraw/zinc/87/97/45/442879745.db2.gz XLZHARYJKVXVSA-VMPITWQZSA-N 2 2 347.459 1.132 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C(=O)OC)c3ccccc3C)C2)CC1 ZINC000248622023 442909404 /nfs/dbraw/zinc/90/94/04/442909404.db2.gz NKXDWFPMNXSBOU-IEBWSBKVSA-N 2 2 345.487 1.921 20 0 EDADLP COC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000265805250 442927420 /nfs/dbraw/zinc/92/74/20/442927420.db2.gz ORZSSUWDRDCGIU-HNNXBMFYSA-N 2 2 337.489 1.361 20 0 EDADLP COC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000265805250 442927423 /nfs/dbraw/zinc/92/74/23/442927423.db2.gz ORZSSUWDRDCGIU-HNNXBMFYSA-N 2 2 337.489 1.361 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000249012776 442944756 /nfs/dbraw/zinc/94/47/56/442944756.db2.gz JRZXANKPQPVFBU-JQHSSLGASA-N 2 2 331.460 1.659 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000194476433 318591162 /nfs/dbraw/zinc/59/11/62/318591162.db2.gz NTPQBTVBTHETCU-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000296352466 318687578 /nfs/dbraw/zinc/68/75/78/318687578.db2.gz IZVCAYFPQNBZBL-OAHLLOKOSA-N 2 2 347.459 1.154 20 0 EDADLP C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000249757811 443004032 /nfs/dbraw/zinc/00/40/32/443004032.db2.gz VUPPPFADOAZQKA-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000249757811 443004035 /nfs/dbraw/zinc/00/40/35/443004035.db2.gz VUPPPFADOAZQKA-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000268748018 443095702 /nfs/dbraw/zinc/09/57/02/443095702.db2.gz GPTHHZIACXRJPC-MOPGFXCFSA-N 2 2 328.460 1.880 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000268748018 443095705 /nfs/dbraw/zinc/09/57/05/443095705.db2.gz GPTHHZIACXRJPC-MOPGFXCFSA-N 2 2 328.460 1.880 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000266472624 443137737 /nfs/dbraw/zinc/13/77/37/443137737.db2.gz SSPRNSXHFOABKJ-KRWDZBQOSA-N 2 2 345.491 1.004 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000266472624 443137742 /nfs/dbraw/zinc/13/77/42/443137742.db2.gz SSPRNSXHFOABKJ-KRWDZBQOSA-N 2 2 345.491 1.004 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000268901913 443141645 /nfs/dbraw/zinc/14/16/45/443141645.db2.gz LMVFNVQSIHKDGS-UHFFFAOYSA-N 2 2 347.488 1.677 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000261460413 443160091 /nfs/dbraw/zinc/16/00/91/443160091.db2.gz PMXJIFRZFXMVGK-INIZCTEOSA-N 2 2 330.432 1.100 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305755629 318929519 /nfs/dbraw/zinc/92/95/19/318929519.db2.gz AQTBGLZUOBYWEJ-JKSUJKDBSA-N 2 2 349.479 1.329 20 0 EDADLP Cc1cc(N2CC[C@H]([NH+]3CCC(c4[nH]cc[nH+]4)CC3)C2=O)n(C)n1 ZINC000266757125 443230995 /nfs/dbraw/zinc/23/09/95/443230995.db2.gz PFRBDPZNAIOYBV-AWEZNQCLSA-N 2 2 328.420 1.437 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1sccc1C(N)=O ZINC000269200359 443231073 /nfs/dbraw/zinc/23/10/73/443231073.db2.gz ZPDJTJNETSJFGG-UHFFFAOYSA-N 2 2 335.433 1.394 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1sccc1C(N)=O ZINC000269200359 443231077 /nfs/dbraw/zinc/23/10/77/443231077.db2.gz ZPDJTJNETSJFGG-UHFFFAOYSA-N 2 2 335.433 1.394 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000269205340 443232698 /nfs/dbraw/zinc/23/26/98/443232698.db2.gz KHKIINTVMDJIMP-ZIAGYGMSSA-N 2 2 334.807 1.268 20 0 EDADLP C[N@H+](Cc1nc(CC2=[NH+][C@@H]3CCCC[C@H]3N2)no1)[C@@H]1CCSC1 ZINC000350606406 319057483 /nfs/dbraw/zinc/05/74/83/319057483.db2.gz MJEMXRXNBLYFCF-JHJVBQTASA-N 2 2 335.477 1.862 20 0 EDADLP C[N@@H+](Cc1nc(CC2=[NH+][C@@H]3CCCC[C@H]3N2)no1)[C@@H]1CCSC1 ZINC000350606406 319057485 /nfs/dbraw/zinc/05/74/85/319057485.db2.gz MJEMXRXNBLYFCF-JHJVBQTASA-N 2 2 335.477 1.862 20 0 EDADLP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1C ZINC000411457915 319183338 /nfs/dbraw/zinc/18/33/38/319183338.db2.gz OEFLFWQNWLZJBA-CQSZACIVSA-N 2 2 329.404 1.071 20 0 EDADLP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1C ZINC000411457915 319183340 /nfs/dbraw/zinc/18/33/40/319183340.db2.gz OEFLFWQNWLZJBA-CQSZACIVSA-N 2 2 329.404 1.071 20 0 EDADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411612596 319188293 /nfs/dbraw/zinc/18/82/93/319188293.db2.gz AHLORUVWYYZJMS-QZTJIDSGSA-N 2 2 332.444 1.781 20 0 EDADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411612596 319188295 /nfs/dbraw/zinc/18/82/95/319188295.db2.gz AHLORUVWYYZJMS-QZTJIDSGSA-N 2 2 332.444 1.781 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)C1 ZINC000414689735 319342974 /nfs/dbraw/zinc/34/29/74/319342974.db2.gz GSVAZIZEPJZFSI-PBHICJAKSA-N 2 2 335.423 1.396 20 0 EDADLP C[C@@H](c1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1)[NH+]1CCOCC1 ZINC000269268337 443259359 /nfs/dbraw/zinc/25/93/59/443259359.db2.gz QSBLZKJDAKCGGG-MAUKXSAKSA-N 2 2 347.459 1.787 20 0 EDADLP CN(C)c1cc(NC(=O)NC[C@@H]2CC[NH2+]C2)[nH+]cc1Br ZINC000415792750 319370490 /nfs/dbraw/zinc/37/04/90/319370490.db2.gz SHOVYGCFUNDQJZ-SECBINFHSA-N 2 2 342.241 1.641 20 0 EDADLP [NH3+]Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000415963030 319385768 /nfs/dbraw/zinc/38/57/68/319385768.db2.gz URYINQCJYIDBOU-UHFFFAOYSA-N 2 2 325.416 1.890 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[NH+]1CCSCC1 ZINC000266895724 443283643 /nfs/dbraw/zinc/28/36/43/443283643.db2.gz ZMXDWWPZTPLCRO-UHFFFAOYSA-N 2 2 325.482 1.320 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266834787 443261466 /nfs/dbraw/zinc/26/14/66/443261466.db2.gz LTYHKSFXAYVPPM-KRWDZBQOSA-N 2 2 345.487 1.933 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266834787 443261471 /nfs/dbraw/zinc/26/14/71/443261471.db2.gz LTYHKSFXAYVPPM-KRWDZBQOSA-N 2 2 345.487 1.933 20 0 EDADLP CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000267016484 443313977 /nfs/dbraw/zinc/31/39/77/443313977.db2.gz BHDGCPUEEZZROT-KRWDZBQOSA-N 2 2 334.464 1.090 20 0 EDADLP C[C@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)Cn1cc[nH+]c1 ZINC000267043326 443322507 /nfs/dbraw/zinc/32/25/07/443322507.db2.gz FRECVSVXNYDRMI-MRXNPFEDSA-N 2 2 342.443 1.781 20 0 EDADLP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000417515042 319496881 /nfs/dbraw/zinc/49/68/81/319496881.db2.gz CIQINYKSWHOPNC-DZKIICNBSA-N 2 2 326.485 1.302 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418460394 319502036 /nfs/dbraw/zinc/50/20/36/319502036.db2.gz KECOJXKZRGTKPX-AEFFLSMTSA-N 2 2 346.475 1.520 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000272616116 443384393 /nfs/dbraw/zinc/38/43/93/443384393.db2.gz XQANKVSMJYIQKB-HNNXBMFYSA-N 2 2 347.415 1.448 20 0 EDADLP CCCNC(=O)NC(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278524338 443352767 /nfs/dbraw/zinc/35/27/67/443352767.db2.gz DBQSNJFPGYRXKA-UHFFFAOYSA-N 2 2 334.420 1.469 20 0 EDADLP C[N@@H+]1CCN(CC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1(C)C ZINC000282506003 443358612 /nfs/dbraw/zinc/35/86/12/443358612.db2.gz YLGDGGJYHYTAHH-INIZCTEOSA-N 2 2 328.464 1.510 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)/C=C/C[NH+](C)C)CC2)c1 ZINC000264652257 443362151 /nfs/dbraw/zinc/36/21/51/443362151.db2.gz SQVZATXDGMCASO-AATRIKPKSA-N 2 2 347.459 1.466 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)c2cc1C ZINC000278783644 443437578 /nfs/dbraw/zinc/43/75/78/443437578.db2.gz DIQZDGXFPVOGEG-DNVCBOLYSA-N 2 2 342.443 1.226 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@]4(CNC(=O)C4)C3)c2cc1C ZINC000278783644 443437581 /nfs/dbraw/zinc/43/75/81/443437581.db2.gz DIQZDGXFPVOGEG-DNVCBOLYSA-N 2 2 342.443 1.226 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)c[nH+]1 ZINC000278666999 443396280 /nfs/dbraw/zinc/39/62/80/443396280.db2.gz BHCOWSJYWRLZNO-CQSZACIVSA-N 2 2 342.447 1.658 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)CC1 ZINC000267266549 443398580 /nfs/dbraw/zinc/39/85/80/443398580.db2.gz PFWMRWXWHLKAAY-KRWDZBQOSA-N 2 2 345.443 1.430 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)CCC2 ZINC000278814991 443450345 /nfs/dbraw/zinc/45/03/45/443450345.db2.gz SCHBTXYUEUPUKA-GJZGRUSLSA-N 2 2 349.475 1.978 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)CCC2 ZINC000278814991 443450348 /nfs/dbraw/zinc/45/03/48/443450348.db2.gz SCHBTXYUEUPUKA-GJZGRUSLSA-N 2 2 349.475 1.978 20 0 EDADLP CCc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nc(C)[nH+]1 ZINC000272815980 443455417 /nfs/dbraw/zinc/45/54/17/443455417.db2.gz DINPKBKUJJWJTH-CQSZACIVSA-N 2 2 331.464 1.480 20 0 EDADLP C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422955529 319741827 /nfs/dbraw/zinc/74/18/27/319741827.db2.gz MPURTVLZPSZFLG-FZMZJTMJSA-N 2 2 340.265 1.909 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000278882923 443471786 /nfs/dbraw/zinc/47/17/86/443471786.db2.gz CTWBTQOXZVZIBY-OAHLLOKOSA-N 2 2 330.436 1.682 20 0 EDADLP CC(C)Nc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000279043124 443499669 /nfs/dbraw/zinc/49/96/69/443499669.db2.gz ORELRPRRQSMHCH-UHFFFAOYSA-N 2 2 347.507 2.000 20 0 EDADLP CC(C)Nc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000279043124 443499673 /nfs/dbraw/zinc/49/96/73/443499673.db2.gz ORELRPRRQSMHCH-UHFFFAOYSA-N 2 2 347.507 2.000 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1C ZINC000267636757 443522392 /nfs/dbraw/zinc/52/23/92/443522392.db2.gz RXQHVZOGHMVOOC-MRXNPFEDSA-N 2 2 344.463 1.588 20 0 EDADLP CS[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1[NH+](C)C ZINC000272406558 443615387 /nfs/dbraw/zinc/61/53/87/443615387.db2.gz ZOJUKBUZDSVJDU-LSDHHAIUSA-N 2 2 331.445 1.385 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@@H]2C1 ZINC000272423630 443620987 /nfs/dbraw/zinc/62/09/87/443620987.db2.gz IBFDMRFPTQKXBQ-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@@H]2C1 ZINC000272423630 443620989 /nfs/dbraw/zinc/62/09/89/443620989.db2.gz IBFDMRFPTQKXBQ-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c(C)[nH+]1 ZINC000441804042 320102064 /nfs/dbraw/zinc/10/20/64/320102064.db2.gz SKLMHWJOIFEHDA-UHFFFAOYSA-N 2 2 332.448 1.874 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443865130 320113375 /nfs/dbraw/zinc/11/33/75/320113375.db2.gz ABGRYZWGHMSHKS-HOTGVXAUSA-N 2 2 332.448 1.159 20 0 EDADLP COc1nccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000449060381 320176877 /nfs/dbraw/zinc/17/68/77/320176877.db2.gz FIWCWIGJIAIUBZ-UHFFFAOYSA-N 2 2 328.416 1.607 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449399052 320189355 /nfs/dbraw/zinc/18/93/55/320189355.db2.gz ZRVMOIIYDUBNJM-KRWDZBQOSA-N 2 2 336.480 1.101 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000449399052 320189357 /nfs/dbraw/zinc/18/93/57/320189357.db2.gz ZRVMOIIYDUBNJM-KRWDZBQOSA-N 2 2 336.480 1.101 20 0 EDADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449398323 320189377 /nfs/dbraw/zinc/18/93/77/320189377.db2.gz XUARJVCOKOSPBW-KRWDZBQOSA-N 2 2 339.524 1.850 20 0 EDADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000449398323 320189379 /nfs/dbraw/zinc/18/93/79/320189379.db2.gz XUARJVCOKOSPBW-KRWDZBQOSA-N 2 2 339.524 1.850 20 0 EDADLP c1[nH]c(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000286223843 443671558 /nfs/dbraw/zinc/67/15/58/443671558.db2.gz YWKBYBZUXALEOZ-LJQANCHMSA-N 2 2 325.460 1.802 20 0 EDADLP c1[nH]c(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000286223843 443671560 /nfs/dbraw/zinc/67/15/60/443671560.db2.gz YWKBYBZUXALEOZ-LJQANCHMSA-N 2 2 325.460 1.802 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000452390776 320248992 /nfs/dbraw/zinc/24/89/92/320248992.db2.gz ORTIJTIQSWRYQD-SFHVURJKSA-N 2 2 342.443 1.508 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000452390776 320248993 /nfs/dbraw/zinc/24/89/93/320248993.db2.gz ORTIJTIQSWRYQD-SFHVURJKSA-N 2 2 342.443 1.508 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1-n1ccnn1 ZINC000453261605 320260985 /nfs/dbraw/zinc/26/09/85/320260985.db2.gz KBMNMCOISYJTHS-CVEARBPZSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccccc1-n1ccnn1 ZINC000453261605 320260986 /nfs/dbraw/zinc/26/09/86/320260986.db2.gz KBMNMCOISYJTHS-CVEARBPZSA-N 2 2 329.448 1.765 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000456526767 320309305 /nfs/dbraw/zinc/30/93/05/320309305.db2.gz IKAVOCJHMPVASR-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000456526767 320309307 /nfs/dbraw/zinc/30/93/07/320309307.db2.gz IKAVOCJHMPVASR-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP COC1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000458603587 320338013 /nfs/dbraw/zinc/33/80/13/320338013.db2.gz UNAJHHSDVRXJLO-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCCCC[NH+]2CCCC2)CCO1 ZINC000458842583 320342772 /nfs/dbraw/zinc/34/27/72/320342772.db2.gz GWNFVPTVWVMCKH-QGZVFWFLSA-N 2 2 340.512 1.663 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCCCC[NH+]2CCCC2)CCO1 ZINC000458842583 320342773 /nfs/dbraw/zinc/34/27/73/320342773.db2.gz GWNFVPTVWVMCKH-QGZVFWFLSA-N 2 2 340.512 1.663 20 0 EDADLP CN1CC[NH+](CC2(C)CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000492813601 320386974 /nfs/dbraw/zinc/38/69/74/320386974.db2.gz PVVWDHMPABIIFK-ARJAWSKDSA-N 2 2 331.464 1.299 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000276261831 443677890 /nfs/dbraw/zinc/67/78/90/443677890.db2.gz SBYZBEXHIIAKCC-IBGZPJMESA-N 2 2 346.519 1.775 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(I)c1 ZINC000283801516 443724315 /nfs/dbraw/zinc/72/43/15/443724315.db2.gz BPBQXVASOGMTLD-ZDUSSCGKSA-N 2 2 348.228 1.693 20 0 EDADLP COCC1CCC([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000519865038 320474469 /nfs/dbraw/zinc/47/44/69/320474469.db2.gz MISVMZFKXGTEES-UYSNPLJNSA-N 2 2 334.464 1.706 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000529909715 320600303 /nfs/dbraw/zinc/60/03/03/320600303.db2.gz WTBCLKWBSKYLND-HNNXBMFYSA-N 2 2 332.448 1.159 20 0 EDADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239495 320616964 /nfs/dbraw/zinc/61/69/64/320616964.db2.gz GGPLIFFHCHZGAC-TZMCWYRMSA-N 2 2 338.477 1.561 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)CC1 ZINC000298721064 443848539 /nfs/dbraw/zinc/84/85/39/443848539.db2.gz FCSXCDMRRDAXBG-MRXNPFEDSA-N 2 2 345.422 1.996 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000285084380 443849051 /nfs/dbraw/zinc/84/90/51/443849051.db2.gz JSHWKLHNHOJDHG-UHFFFAOYSA-N 2 2 349.479 1.190 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)[nH+]c12 ZINC000531395810 320658628 /nfs/dbraw/zinc/65/86/28/320658628.db2.gz PYLXJAMBSVSWLF-MRXNPFEDSA-N 2 2 342.443 1.366 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000298763053 443860934 /nfs/dbraw/zinc/86/09/34/443860934.db2.gz QJDPOXOLTXZKPS-CABCVRRESA-N 2 2 347.463 1.264 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000298763053 443860938 /nfs/dbraw/zinc/86/09/38/443860938.db2.gz QJDPOXOLTXZKPS-CABCVRRESA-N 2 2 347.463 1.264 20 0 EDADLP Cn1cc(C[NH+]2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cn1 ZINC000536091811 320722059 /nfs/dbraw/zinc/72/20/59/320722059.db2.gz OGTLKGHTMXGSLI-UHFFFAOYSA-N 2 2 327.436 1.354 20 0 EDADLP C[C@H](O)CNc1cc(N(C)CCC[N@H+](C)Cc2ccco2)nc[nH+]1 ZINC000298815937 443876398 /nfs/dbraw/zinc/87/63/98/443876398.db2.gz GGVDNQBZHZYQAL-AWEZNQCLSA-N 2 2 333.436 1.821 20 0 EDADLP C[C@H](O)CNc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)nc[nH+]1 ZINC000298815937 443876400 /nfs/dbraw/zinc/87/64/00/443876400.db2.gz GGVDNQBZHZYQAL-AWEZNQCLSA-N 2 2 333.436 1.821 20 0 EDADLP C[C@H](O)CNc1cc(N(C)CCC[N@H+](C)Cc2ccco2)[nH+]cn1 ZINC000298815937 443876403 /nfs/dbraw/zinc/87/64/03/443876403.db2.gz GGVDNQBZHZYQAL-AWEZNQCLSA-N 2 2 333.436 1.821 20 0 EDADLP C[C@H](O)CNc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)[nH+]cn1 ZINC000298815937 443876406 /nfs/dbraw/zinc/87/64/06/443876406.db2.gz GGVDNQBZHZYQAL-AWEZNQCLSA-N 2 2 333.436 1.821 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285336390 443946332 /nfs/dbraw/zinc/94/63/32/443946332.db2.gz CJMNEVSUXLBOIN-UHFFFAOYSA-N 2 2 332.492 1.261 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285336390 443946335 /nfs/dbraw/zinc/94/63/35/443946335.db2.gz CJMNEVSUXLBOIN-UHFFFAOYSA-N 2 2 332.492 1.261 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@H](O)C[NH+]3CCCCC3)[nH+]c2c1 ZINC000298974467 443918012 /nfs/dbraw/zinc/91/80/12/443918012.db2.gz OSXCJACDGGKIMV-INIZCTEOSA-N 2 2 345.447 1.289 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[N@H+](C)C1 ZINC000285418352 443977356 /nfs/dbraw/zinc/97/73/56/443977356.db2.gz HTCVPPSMJIACSH-JYJNAYRXSA-N 2 2 347.463 1.021 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[N@@H+](C)C1 ZINC000285418352 443977360 /nfs/dbraw/zinc/97/73/60/443977360.db2.gz HTCVPPSMJIACSH-JYJNAYRXSA-N 2 2 347.463 1.021 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000547643079 320836659 /nfs/dbraw/zinc/83/66/59/320836659.db2.gz XDRWYUUAXCCATI-LLVKDONJSA-N 2 2 343.353 1.971 20 0 EDADLP CS(=O)(=O)NCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285424181 443979316 /nfs/dbraw/zinc/97/93/16/443979316.db2.gz DVCUYAXSGKYZQQ-KRWDZBQOSA-N 2 2 337.489 1.134 20 0 EDADLP CS(=O)(=O)NCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285424181 443979320 /nfs/dbraw/zinc/97/93/20/443979320.db2.gz DVCUYAXSGKYZQQ-KRWDZBQOSA-N 2 2 337.489 1.134 20 0 EDADLP CS(=O)(=O)NCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285424181 443979323 /nfs/dbraw/zinc/97/93/23/443979323.db2.gz DVCUYAXSGKYZQQ-KRWDZBQOSA-N 2 2 337.489 1.134 20 0 EDADLP CS(=O)(=O)NCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285424181 443979327 /nfs/dbraw/zinc/97/93/27/443979327.db2.gz DVCUYAXSGKYZQQ-KRWDZBQOSA-N 2 2 337.489 1.134 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[S@](=O)C[C@@H](C)C3)c2cc1C ZINC000277402187 443979839 /nfs/dbraw/zinc/97/98/39/443979839.db2.gz JBXHKQWWNOMRMB-FVIJCFCBSA-N 2 2 349.500 1.714 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[S@](=O)C[C@@H](C)C3)c2cc1C ZINC000277402187 443979842 /nfs/dbraw/zinc/97/98/42/443979842.db2.gz JBXHKQWWNOMRMB-FVIJCFCBSA-N 2 2 349.500 1.714 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285370953 443959881 /nfs/dbraw/zinc/95/98/81/443959881.db2.gz AWDQFJRPVYHHIL-DNVCBOLYSA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285370953 443959886 /nfs/dbraw/zinc/95/98/86/443959886.db2.gz AWDQFJRPVYHHIL-DNVCBOLYSA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285370953 443959890 /nfs/dbraw/zinc/95/98/90/443959890.db2.gz AWDQFJRPVYHHIL-DNVCBOLYSA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285370953 443959894 /nfs/dbraw/zinc/95/98/94/443959894.db2.gz AWDQFJRPVYHHIL-DNVCBOLYSA-N 2 2 344.459 1.429 20 0 EDADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000561131906 321034222 /nfs/dbraw/zinc/03/42/22/321034222.db2.gz IGMNCSOGLGTNME-JKSUJKDBSA-N 2 2 346.475 1.411 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C[NH2+]1 ZINC000561131893 321034355 /nfs/dbraw/zinc/03/43/55/321034355.db2.gz IGMNCSOGLGTNME-CVEARBPZSA-N 2 2 346.475 1.411 20 0 EDADLP CC(C)COc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000562802815 321076892 /nfs/dbraw/zinc/07/68/92/321076892.db2.gz ALUKJTAUBPYZEA-INIZCTEOSA-N 2 2 334.464 1.506 20 0 EDADLP CC(C)COc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000562802815 321076893 /nfs/dbraw/zinc/07/68/93/321076893.db2.gz ALUKJTAUBPYZEA-INIZCTEOSA-N 2 2 334.464 1.506 20 0 EDADLP COc1cc(F)cc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000562990155 321085754 /nfs/dbraw/zinc/08/57/54/321085754.db2.gz FMPFJRLDZVTPOC-DVOMOZLQSA-N 2 2 326.412 1.394 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000563139086 321098399 /nfs/dbraw/zinc/09/83/99/321098399.db2.gz VJCBLBSEDRTKLQ-UXHICEINSA-N 3 2 347.503 1.188 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000563139086 321098400 /nfs/dbraw/zinc/09/84/00/321098400.db2.gz VJCBLBSEDRTKLQ-UXHICEINSA-N 3 2 347.503 1.188 20 0 EDADLP C[NH+](C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139086 321098402 /nfs/dbraw/zinc/09/84/02/321098402.db2.gz VJCBLBSEDRTKLQ-UXHICEINSA-N 3 2 347.503 1.188 20 0 EDADLP C[NH+](C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000563139086 321098404 /nfs/dbraw/zinc/09/84/04/321098404.db2.gz VJCBLBSEDRTKLQ-UXHICEINSA-N 3 2 347.503 1.188 20 0 EDADLP C[C@H](CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)n1cc[nH+]c1 ZINC000563222132 321101746 /nfs/dbraw/zinc/10/17/46/321101746.db2.gz KDAWENBARMEQCX-CABCVRRESA-N 2 2 343.431 1.771 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)C1 ZINC000563883222 321114201 /nfs/dbraw/zinc/11/42/01/321114201.db2.gz YAAGLCDVRULLKV-GOEBONIOSA-N 2 2 328.416 1.673 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000563887922 321114854 /nfs/dbraw/zinc/11/48/54/321114854.db2.gz UAKQWEMEZWKCAB-KRWDZBQOSA-N 2 2 345.487 1.522 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000563887922 321114855 /nfs/dbraw/zinc/11/48/55/321114855.db2.gz UAKQWEMEZWKCAB-KRWDZBQOSA-N 2 2 345.487 1.522 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cn1C ZINC000564668814 321141147 /nfs/dbraw/zinc/14/11/47/321141147.db2.gz WVOSCECXWXXCEX-INIZCTEOSA-N 2 2 335.448 1.498 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cn1C ZINC000564668814 321141148 /nfs/dbraw/zinc/14/11/48/321141148.db2.gz WVOSCECXWXXCEX-INIZCTEOSA-N 2 2 335.448 1.498 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOc2ccccc2Cl)C[C@@H](C)O1 ZINC000564854092 321151425 /nfs/dbraw/zinc/15/14/25/321151425.db2.gz LQQAEYKCEGXRLB-RBSFLKMASA-N 2 2 342.867 1.779 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000565173881 321172983 /nfs/dbraw/zinc/17/29/83/321172983.db2.gz RMJTYFKWGDNHNX-QAPCUYQASA-N 2 2 339.455 1.275 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000565173881 321172984 /nfs/dbraw/zinc/17/29/84/321172984.db2.gz RMJTYFKWGDNHNX-QAPCUYQASA-N 2 2 339.455 1.275 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000565173881 321172986 /nfs/dbraw/zinc/17/29/86/321172986.db2.gz RMJTYFKWGDNHNX-QAPCUYQASA-N 2 2 339.455 1.275 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000565173881 321172988 /nfs/dbraw/zinc/17/29/88/321172988.db2.gz RMJTYFKWGDNHNX-QAPCUYQASA-N 2 2 339.455 1.275 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000565361695 321183436 /nfs/dbraw/zinc/18/34/36/321183436.db2.gz YLHLJKNVBGEGOA-ZLPCBKJTSA-N 2 2 346.475 1.573 20 0 EDADLP Cc1csc(CCCC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000566109175 321216019 /nfs/dbraw/zinc/21/60/19/321216019.db2.gz KPGPVPICEBPKKY-JYJNAYRXSA-N 2 2 341.521 1.834 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000567981931 321270780 /nfs/dbraw/zinc/27/07/80/321270780.db2.gz CNKATPAKQIPART-ZDUSSCGKSA-N 2 2 341.402 1.602 20 0 EDADLP Cn1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(-c2ccccc2)n1 ZINC000568381658 321288537 /nfs/dbraw/zinc/28/85/37/321288537.db2.gz ZWAOECLDNVEIDN-HKUYNNGSSA-N 2 2 326.444 1.944 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568659771 321300815 /nfs/dbraw/zinc/30/08/15/321300815.db2.gz JQGYXDLKTMRTFW-KBPBESRZSA-N 2 2 330.436 1.587 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568659771 321300816 /nfs/dbraw/zinc/30/08/16/321300816.db2.gz JQGYXDLKTMRTFW-KBPBESRZSA-N 2 2 330.436 1.587 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)[C@@H](C[NH3+])C1 ZINC000570550123 321347223 /nfs/dbraw/zinc/34/72/23/321347223.db2.gz YVGIDYRMAUIAIJ-GJZGRUSLSA-N 2 2 349.454 1.079 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]C1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000570816593 321359902 /nfs/dbraw/zinc/35/99/02/321359902.db2.gz RCTJNGYHBWUNFL-QGZVFWFLSA-N 2 2 326.444 1.980 20 0 EDADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccnn1C ZINC000570952065 321366122 /nfs/dbraw/zinc/36/61/22/321366122.db2.gz ITCKQDRKCKHYPX-INIZCTEOSA-N 2 2 347.507 1.590 20 0 EDADLP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000571088810 321370404 /nfs/dbraw/zinc/37/04/04/321370404.db2.gz UQZZTLBSOPKIQI-KRWDZBQOSA-N 2 2 333.867 1.909 20 0 EDADLP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000571088810 321370406 /nfs/dbraw/zinc/37/04/06/321370406.db2.gz UQZZTLBSOPKIQI-KRWDZBQOSA-N 2 2 333.867 1.909 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000571194178 321375681 /nfs/dbraw/zinc/37/56/81/321375681.db2.gz IKVCAKXETCPJAU-HZSPNIEDSA-N 2 2 337.851 1.802 20 0 EDADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289368371 444120067 /nfs/dbraw/zinc/12/00/67/444120067.db2.gz OVYSPPFIWNMBQK-GJZGRUSLSA-N 2 2 332.448 1.612 20 0 EDADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289368371 444120071 /nfs/dbraw/zinc/12/00/71/444120071.db2.gz OVYSPPFIWNMBQK-GJZGRUSLSA-N 2 2 332.448 1.612 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1NC(=O)CC(C)C ZINC000571557973 321392516 /nfs/dbraw/zinc/39/25/16/321392516.db2.gz MISXJPFSAVTQED-INIZCTEOSA-N 2 2 346.475 1.695 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1NC(=O)CC(C)C ZINC000571557973 321392517 /nfs/dbraw/zinc/39/25/17/321392517.db2.gz MISXJPFSAVTQED-INIZCTEOSA-N 2 2 346.475 1.695 20 0 EDADLP COc1cccc(C(=O)N2CC[NH+](CCc3c[nH+]cn3C)CC2)c1 ZINC000289358038 444117157 /nfs/dbraw/zinc/11/71/57/444117157.db2.gz NVGIHKQWWDLMQL-UHFFFAOYSA-N 2 2 328.416 1.429 20 0 EDADLP O=C(CC[NH2+][C@@H](CO)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000289482477 444155817 /nfs/dbraw/zinc/15/58/17/444155817.db2.gz IXXNYEPSHSQJSK-KRWDZBQOSA-N 2 2 346.475 1.261 20 0 EDADLP CC[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[N@@H+]1C[C@H](C)O ZINC000301394029 444168834 /nfs/dbraw/zinc/16/88/34/444168834.db2.gz CYGUTRFNCINHHG-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP CC[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[N@H+]1C[C@H](C)O ZINC000301394029 444168836 /nfs/dbraw/zinc/16/88/36/444168836.db2.gz CYGUTRFNCINHHG-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000285837266 444124414 /nfs/dbraw/zinc/12/44/14/444124414.db2.gz VXMMTHXDIHZSHQ-IEBWSBKVSA-N 2 2 344.503 1.008 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000285837266 444124417 /nfs/dbraw/zinc/12/44/17/444124417.db2.gz VXMMTHXDIHZSHQ-IEBWSBKVSA-N 2 2 344.503 1.008 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289572660 444174380 /nfs/dbraw/zinc/17/43/80/444174380.db2.gz VWRFAWJAIHKPEE-CYBMUJFWSA-N 2 2 332.370 1.972 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289572660 444174383 /nfs/dbraw/zinc/17/43/83/444174383.db2.gz VWRFAWJAIHKPEE-CYBMUJFWSA-N 2 2 332.370 1.972 20 0 EDADLP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295928921 444194692 /nfs/dbraw/zinc/19/46/92/444194692.db2.gz KEAJTLMGCCZDCH-HZPDHXFCSA-N 2 2 337.464 1.778 20 0 EDADLP CCCCOC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295928921 444194695 /nfs/dbraw/zinc/19/46/95/444194695.db2.gz KEAJTLMGCCZDCH-HZPDHXFCSA-N 2 2 337.464 1.778 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000576567047 321576867 /nfs/dbraw/zinc/57/68/67/321576867.db2.gz BFXMLWRGWURNKK-UKRRQHHQSA-N 2 2 328.420 1.965 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCc3cn(C)cn3)c2cc1C ZINC000576578409 321578142 /nfs/dbraw/zinc/57/81/42/321578142.db2.gz RQRCSZLIXSXNCB-INIZCTEOSA-N 2 2 327.432 1.580 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000290292042 444263772 /nfs/dbraw/zinc/26/37/72/444263772.db2.gz MXJPMDVQZSCRGV-BPQIPLTHSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000290292042 444263773 /nfs/dbraw/zinc/26/37/73/444263773.db2.gz MXJPMDVQZSCRGV-BPQIPLTHSA-N 2 2 331.460 1.392 20 0 EDADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997085 444228736 /nfs/dbraw/zinc/22/87/36/444228736.db2.gz YTFMBHZREURNKO-YOEHRIQHSA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997085 444228738 /nfs/dbraw/zinc/22/87/38/444228738.db2.gz YTFMBHZREURNKO-YOEHRIQHSA-N 2 2 337.489 1.785 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1cc(N3CCCC[C@@H]3CO)nc[nH+]1)C2 ZINC000302893863 444230746 /nfs/dbraw/zinc/23/07/46/444230746.db2.gz OJXIBHNMXRFVGS-LSDHHAIUSA-N 2 2 342.447 1.760 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1cc(N3CCCC[C@@H]3CO)[nH+]cn1)C2 ZINC000302893863 444230748 /nfs/dbraw/zinc/23/07/48/444230748.db2.gz OJXIBHNMXRFVGS-LSDHHAIUSA-N 2 2 342.447 1.760 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000296580552 444240051 /nfs/dbraw/zinc/24/00/51/444240051.db2.gz WWAATRRPAGQAJD-SFHVURJKSA-N 2 2 340.427 1.543 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C(C)(C)C(=O)N(C)C)c2cc1C ZINC000304104830 444242216 /nfs/dbraw/zinc/24/22/16/444242216.db2.gz JHFXFIVPYLOEKF-AWEZNQCLSA-N 2 2 332.448 1.470 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)CC[NH2+]C2CC2)[NH+]2CCOCC2)c1 ZINC000577388874 321648783 /nfs/dbraw/zinc/64/87/83/321648783.db2.gz QHJUFTGYHYRRQS-GOSISDBHSA-N 2 2 331.460 1.627 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)C[C@@H](C)O1 ZINC000577948008 321697929 /nfs/dbraw/zinc/69/79/29/321697929.db2.gz KHPZSUJEDDHXGI-VYIWNADRSA-N 2 2 349.475 1.361 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)c2ccccn2)CC1 ZINC000297474915 444290763 /nfs/dbraw/zinc/29/07/63/444290763.db2.gz WUCLCBQPVKCCEI-UHFFFAOYSA-N 2 2 347.507 1.684 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310253187 444291335 /nfs/dbraw/zinc/29/13/35/444291335.db2.gz KROOTTAZGGUBSK-BMFZPTHFSA-N 2 2 330.432 1.024 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310253187 444291338 /nfs/dbraw/zinc/29/13/38/444291338.db2.gz KROOTTAZGGUBSK-BMFZPTHFSA-N 2 2 330.432 1.024 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310253187 444291339 /nfs/dbraw/zinc/29/13/39/444291339.db2.gz KROOTTAZGGUBSK-BMFZPTHFSA-N 2 2 330.432 1.024 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310253187 444291340 /nfs/dbraw/zinc/29/13/40/444291340.db2.gz KROOTTAZGGUBSK-BMFZPTHFSA-N 2 2 330.432 1.024 20 0 EDADLP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000297923670 444358300 /nfs/dbraw/zinc/35/83/00/444358300.db2.gz QQNRYIPXLMVKHT-UHFFFAOYSA-N 2 2 329.404 1.121 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000297925496 444359112 /nfs/dbraw/zinc/35/91/12/444359112.db2.gz QUHWTACXMNRWNG-KGLIPLIRSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[N@H+]1CCC[C@@H](C)C1 ZINC000297925496 444359114 /nfs/dbraw/zinc/35/91/14/444359114.db2.gz QUHWTACXMNRWNG-KGLIPLIRSA-N 2 2 343.431 1.509 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCN(C=O)CC3)c2cc1C ZINC000297757201 444329816 /nfs/dbraw/zinc/32/98/16/444329816.db2.gz UQLTXPWOVZDPGV-INIZCTEOSA-N 2 2 330.432 1.178 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000298003154 444384021 /nfs/dbraw/zinc/38/40/21/444384021.db2.gz JDSQFFWXIYMFKU-GJZGRUSLSA-N 2 2 347.463 1.058 20 0 EDADLP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000579123503 321887948 /nfs/dbraw/zinc/88/79/48/321887948.db2.gz QYBNHDSQSHSVKL-IAGOWNOFSA-N 2 2 330.476 1.610 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@]3(CCO)CCOC3)c2cc1C ZINC000579474835 321939740 /nfs/dbraw/zinc/93/97/40/321939740.db2.gz QNVIKWZQHCFALN-LPHOPBHVSA-N 2 2 347.459 1.393 20 0 EDADLP Cn1cc(C[NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)nn1 ZINC000328704521 444435593 /nfs/dbraw/zinc/43/55/93/444435593.db2.gz OWXVOIUNEOFBRP-CQSZACIVSA-N 2 2 332.477 1.758 20 0 EDADLP Cn1cc(C[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)nn1 ZINC000328704521 444435594 /nfs/dbraw/zinc/43/55/94/444435594.db2.gz OWXVOIUNEOFBRP-CQSZACIVSA-N 2 2 332.477 1.758 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000332028377 444496508 /nfs/dbraw/zinc/49/65/08/444496508.db2.gz HQRNNHHZAYMCHB-KFWWJZLASA-N 2 2 347.463 1.165 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580079985 322007258 /nfs/dbraw/zinc/00/72/58/322007258.db2.gz LKGRHFFFORKUPE-FQEVSTJZSA-N 2 2 343.471 1.735 20 0 EDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccsc2Br)CC1 ZINC000580183864 322019970 /nfs/dbraw/zinc/01/99/70/322019970.db2.gz ZATCKPAMBQZTJH-LBPRGKRZSA-N 2 2 348.310 1.209 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000580211837 322024922 /nfs/dbraw/zinc/02/49/22/322024922.db2.gz MALJLNZPQJMLBU-HOTGVXAUSA-N 2 2 331.464 1.713 20 0 EDADLP CC[NH+]1CCN(CC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC000580492670 322057346 /nfs/dbraw/zinc/05/73/46/322057346.db2.gz MUKQBCBYFUOHRK-UHFFFAOYSA-N 2 2 345.491 1.244 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000581375233 322170933 /nfs/dbraw/zinc/17/09/33/322170933.db2.gz UTVVHKIJYMIQDT-CXAGYDPISA-N 2 2 327.419 1.614 20 0 EDADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000581375233 322170935 /nfs/dbraw/zinc/17/09/35/322170935.db2.gz UTVVHKIJYMIQDT-CXAGYDPISA-N 2 2 327.419 1.614 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@H+]3C)ccc2n1C ZINC000581660700 322204621 /nfs/dbraw/zinc/20/46/21/322204621.db2.gz WBIBJNOEHOJUPF-CQSZACIVSA-N 2 2 343.431 1.373 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000581858300 322223907 /nfs/dbraw/zinc/22/39/07/322223907.db2.gz TZTHFCDPBIRSGK-HNNXBMFYSA-N 2 2 346.406 1.849 20 0 EDADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329253126 444513601 /nfs/dbraw/zinc/51/36/01/444513601.db2.gz YXRICVKSCRTZTR-CZUORRHYSA-N 2 2 346.431 1.697 20 0 EDADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329253126 444513604 /nfs/dbraw/zinc/51/36/04/444513604.db2.gz YXRICVKSCRTZTR-CZUORRHYSA-N 2 2 346.431 1.697 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C3CC3)CC2)cc1 ZINC000340814335 444521471 /nfs/dbraw/zinc/52/14/71/444521471.db2.gz WIIYCLQOJWZMCV-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C3CC3)CC2)cc1 ZINC000340814335 444521475 /nfs/dbraw/zinc/52/14/75/444521475.db2.gz WIIYCLQOJWZMCV-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000340814335 444521477 /nfs/dbraw/zinc/52/14/77/444521477.db2.gz WIIYCLQOJWZMCV-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000340814335 444521481 /nfs/dbraw/zinc/52/14/81/444521481.db2.gz WIIYCLQOJWZMCV-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000343705403 444532437 /nfs/dbraw/zinc/53/24/37/444532437.db2.gz CKVJFNUPVOPWGD-ZLDLUXBVSA-N 2 2 332.366 1.985 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000343705403 444532443 /nfs/dbraw/zinc/53/24/43/444532443.db2.gz CKVJFNUPVOPWGD-ZLDLUXBVSA-N 2 2 332.366 1.985 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338154653 444539438 /nfs/dbraw/zinc/53/94/38/444539438.db2.gz LGIWMILOCQQKOX-CALCHBBNSA-N 2 2 339.524 1.972 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338154653 444539441 /nfs/dbraw/zinc/53/94/41/444539441.db2.gz LGIWMILOCQQKOX-CALCHBBNSA-N 2 2 339.524 1.972 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000332761934 444541827 /nfs/dbraw/zinc/54/18/27/444541827.db2.gz PLHAHCHSJDGQGH-XJKSGUPXSA-N 2 2 337.493 1.356 20 0 EDADLP C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342164996 444542857 /nfs/dbraw/zinc/54/28/57/444542857.db2.gz LHSPKELEDBIVKT-DFQSSKMNSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342164996 444542860 /nfs/dbraw/zinc/54/28/60/444542860.db2.gz LHSPKELEDBIVKT-DFQSSKMNSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@H]1[NH+](CCO)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342164996 444542862 /nfs/dbraw/zinc/54/28/62/444542862.db2.gz LHSPKELEDBIVKT-DFQSSKMNSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@H]1[NH+](CCO)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342164996 444542864 /nfs/dbraw/zinc/54/28/64/444542864.db2.gz LHSPKELEDBIVKT-DFQSSKMNSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000338248037 444587155 /nfs/dbraw/zinc/58/71/55/444587155.db2.gz AQZXWMNRUSLAPV-JKSUJKDBSA-N 2 2 332.448 1.087 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCOC[C@@H](C)C1 ZINC000338248037 444587156 /nfs/dbraw/zinc/58/71/56/444587156.db2.gz AQZXWMNRUSLAPV-JKSUJKDBSA-N 2 2 332.448 1.087 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332967061 444614706 /nfs/dbraw/zinc/61/47/06/444614706.db2.gz ZQVWUBKZVUDBHB-HIFRSBDPSA-N 2 2 334.468 1.281 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332967061 444614709 /nfs/dbraw/zinc/61/47/09/444614709.db2.gz ZQVWUBKZVUDBHB-HIFRSBDPSA-N 2 2 334.468 1.281 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000332991392 444623517 /nfs/dbraw/zinc/62/35/17/444623517.db2.gz FHOPJXUULQRVNA-HOTGVXAUSA-N 2 2 347.459 1.359 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000332991392 444623522 /nfs/dbraw/zinc/62/35/22/444623522.db2.gz FHOPJXUULQRVNA-HOTGVXAUSA-N 2 2 347.459 1.359 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC[N@@H+]1C ZINC000342353195 444650344 /nfs/dbraw/zinc/65/03/44/444650344.db2.gz GMUYXYCLGBMTCV-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC[N@H+]1C ZINC000342353195 444650348 /nfs/dbraw/zinc/65/03/48/444650348.db2.gz GMUYXYCLGBMTCV-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP CC[C@@H](O)CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000341082828 444664425 /nfs/dbraw/zinc/66/44/25/444664425.db2.gz IDXOFSGDMJNGSM-QGZVFWFLSA-N 2 2 340.512 1.395 20 0 EDADLP C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919648 444668425 /nfs/dbraw/zinc/66/84/25/444668425.db2.gz GXELZUDWBDMLJE-SQNIBIBYSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@H]1CCCN1C(=O)CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919648 444668433 /nfs/dbraw/zinc/66/84/33/444668433.db2.gz GXELZUDWBDMLJE-SQNIBIBYSA-N 2 2 336.524 1.345 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000338331707 444639175 /nfs/dbraw/zinc/63/91/75/444639175.db2.gz WULJCBBYRKOPRJ-ZOBUZTSGSA-N 2 2 336.480 1.832 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]21 ZINC000333886259 444708676 /nfs/dbraw/zinc/70/86/76/444708676.db2.gz FWDWROUWJGYIBM-BRWVUGGUSA-N 2 2 343.475 1.951 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342488285 444711925 /nfs/dbraw/zinc/71/19/25/444711925.db2.gz HOWDSGURYXQAGM-UONOGXRCSA-N 2 2 327.469 1.297 20 0 EDADLP C[C@@H](C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)[NH+]1CCOCC1 ZINC000329915693 444767086 /nfs/dbraw/zinc/76/70/86/444767086.db2.gz YNEHHXHOBIDWPE-HNNXBMFYSA-N 2 2 346.475 1.646 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341312852 444774415 /nfs/dbraw/zinc/77/44/15/444774415.db2.gz XCCLZPSOKUFDJB-GJZGRUSLSA-N 2 2 349.479 1.148 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000342536440 444735594 /nfs/dbraw/zinc/73/55/94/444735594.db2.gz ACRCPGGFIIGZDY-INIZCTEOSA-N 2 2 333.480 1.210 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC[C@@H]21 ZINC000336869350 444813601 /nfs/dbraw/zinc/81/36/01/444813601.db2.gz BDZTZZIJJAELKM-RDBSUJKOSA-N 2 2 333.398 1.956 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC[C@@H]21 ZINC000336869350 444813606 /nfs/dbraw/zinc/81/36/06/444813606.db2.gz BDZTZZIJJAELKM-RDBSUJKOSA-N 2 2 333.398 1.956 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC[C@@H]21 ZINC000336869350 444813610 /nfs/dbraw/zinc/81/36/10/444813610.db2.gz BDZTZZIJJAELKM-RDBSUJKOSA-N 2 2 333.398 1.956 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC[C@@H]21 ZINC000336869350 444813614 /nfs/dbraw/zinc/81/36/14/444813614.db2.gz BDZTZZIJJAELKM-RDBSUJKOSA-N 2 2 333.398 1.956 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000341409037 444815438 /nfs/dbraw/zinc/81/54/38/444815438.db2.gz XFWANQHGTWPNDC-UHFFFAOYSA-N 3 2 345.535 1.662 20 0 EDADLP CN1CC[C@H]([NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)C1=O ZINC000338637679 444785568 /nfs/dbraw/zinc/78/55/68/444785568.db2.gz VTOMIDUDPFJUOW-KBPBESRZSA-N 2 2 334.489 1.660 20 0 EDADLP CN1CC[C@H]([NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)C1=O ZINC000338637679 444785573 /nfs/dbraw/zinc/78/55/73/444785573.db2.gz VTOMIDUDPFJUOW-KBPBESRZSA-N 2 2 334.489 1.660 20 0 EDADLP CC[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)OC ZINC000338799684 444856510 /nfs/dbraw/zinc/85/65/10/444856510.db2.gz IUSRNYHCPUTDLZ-OAHLLOKOSA-N 2 2 339.480 1.252 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000341502342 444864944 /nfs/dbraw/zinc/86/49/44/444864944.db2.gz FYBYZHUURCRDJD-JSGCOSHPSA-N 2 2 345.896 1.548 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000341502342 444864947 /nfs/dbraw/zinc/86/49/47/444864947.db2.gz FYBYZHUURCRDJD-JSGCOSHPSA-N 2 2 345.896 1.548 20 0 EDADLP CO[C@@H](C)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000338836522 444880437 /nfs/dbraw/zinc/88/04/37/444880437.db2.gz RRTJGAWXZOUPSW-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000341626299 444925029 /nfs/dbraw/zinc/92/50/29/444925029.db2.gz YEJYJLIGWRHQNE-CVEARBPZSA-N 2 2 331.464 1.704 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000330441019 444982328 /nfs/dbraw/zinc/98/23/28/444982328.db2.gz RWXFPENZTGNSBF-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000330441019 444982330 /nfs/dbraw/zinc/98/23/30/444982330.db2.gz RWXFPENZTGNSBF-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000337145609 444961226 /nfs/dbraw/zinc/96/12/26/444961226.db2.gz XMNGUTWKJOUNGW-ZNMIVQPWSA-N 2 2 337.430 1.790 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000337145609 444961238 /nfs/dbraw/zinc/96/12/38/444961238.db2.gz XMNGUTWKJOUNGW-ZNMIVQPWSA-N 2 2 337.430 1.790 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000344384653 444933386 /nfs/dbraw/zinc/93/33/86/444933386.db2.gz OZRJAEPSHUGSKG-DOTOQJQBSA-N 2 2 333.501 1.939 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000344384653 444933390 /nfs/dbraw/zinc/93/33/90/444933390.db2.gz OZRJAEPSHUGSKG-DOTOQJQBSA-N 2 2 333.501 1.939 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(CC[N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000337318875 445030908 /nfs/dbraw/zinc/03/09/08/445030908.db2.gz NDVYRSBJGZGSSZ-GOSISDBHSA-N 2 2 338.540 1.198 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(CC[N@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000337318875 445030911 /nfs/dbraw/zinc/03/09/11/445030911.db2.gz NDVYRSBJGZGSSZ-GOSISDBHSA-N 2 2 338.540 1.198 20 0 EDADLP Cc1ccc(CCC[N@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000344497425 445012226 /nfs/dbraw/zinc/01/22/26/445012226.db2.gz NCNZGPLYCSPJJV-SJORKVTESA-N 2 2 335.423 1.594 20 0 EDADLP Cc1ccc(CCC[N@@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c[nH+]1 ZINC000344497425 445012228 /nfs/dbraw/zinc/01/22/28/445012228.db2.gz NCNZGPLYCSPJJV-SJORKVTESA-N 2 2 335.423 1.594 20 0 EDADLP Cc1ccc(CCC[N@H+]2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)c[nH+]1 ZINC000344497425 445012232 /nfs/dbraw/zinc/01/22/32/445012232.db2.gz NCNZGPLYCSPJJV-SJORKVTESA-N 2 2 335.423 1.594 20 0 EDADLP CC(C)COCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000337381601 445056317 /nfs/dbraw/zinc/05/63/17/445056317.db2.gz ZDSKDPJVSVRNHC-HZPDHXFCSA-N 2 2 326.460 1.937 20 0 EDADLP CC(C)COCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000337381601 445056321 /nfs/dbraw/zinc/05/63/21/445056321.db2.gz ZDSKDPJVSVRNHC-HZPDHXFCSA-N 2 2 326.460 1.937 20 0 EDADLP Cn1c[nH+]cc1CNc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000339154864 445060733 /nfs/dbraw/zinc/06/07/33/445060733.db2.gz YGSLJUNAZLEPOY-UHFFFAOYSA-N 2 2 327.432 1.858 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000337567510 445141687 /nfs/dbraw/zinc/14/16/87/445141687.db2.gz XJXLMVMQRQGLSN-MSOLQXFVSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000337567510 445141689 /nfs/dbraw/zinc/14/16/89/445141689.db2.gz XJXLMVMQRQGLSN-MSOLQXFVSA-N 2 2 343.475 1.536 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337459820 445090375 /nfs/dbraw/zinc/09/03/75/445090375.db2.gz OTGUOBITXWNWKH-MSOLQXFVSA-N 2 2 339.524 1.924 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337459820 445090379 /nfs/dbraw/zinc/09/03/79/445090379.db2.gz OTGUOBITXWNWKH-MSOLQXFVSA-N 2 2 339.524 1.924 20 0 EDADLP Cc1ccc([C@@H](C)[C@@H](O)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000344664467 445114294 /nfs/dbraw/zinc/11/42/94/445114294.db2.gz NZZQLWPZMSSKIF-VQIMIIECSA-N 2 2 347.503 1.602 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000342007006 445120883 /nfs/dbraw/zinc/12/08/83/445120883.db2.gz GMEGVUAYSHHGFU-HNNXBMFYSA-N 2 2 349.479 1.146 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000342007006 445120887 /nfs/dbraw/zinc/12/08/87/445120887.db2.gz GMEGVUAYSHHGFU-HNNXBMFYSA-N 2 2 349.479 1.146 20 0 EDADLP CC[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339261293 445121331 /nfs/dbraw/zinc/12/13/31/445121331.db2.gz XZUHMMIXOBJVCC-IRXDYDNUSA-N 2 2 341.496 1.104 20 0 EDADLP CC[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339261293 445121332 /nfs/dbraw/zinc/12/13/32/445121332.db2.gz XZUHMMIXOBJVCC-IRXDYDNUSA-N 2 2 341.496 1.104 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342109337 445176579 /nfs/dbraw/zinc/17/65/79/445176579.db2.gz RMBRSGSKQYLSRN-QEJZJMRPSA-N 2 2 333.432 1.702 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342109337 445176581 /nfs/dbraw/zinc/17/65/81/445176581.db2.gz RMBRSGSKQYLSRN-QEJZJMRPSA-N 2 2 333.432 1.702 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345301669 445179086 /nfs/dbraw/zinc/17/90/86/445179086.db2.gz TVNZMHUADYMSQY-UUAJXVIYSA-N 2 2 325.497 1.719 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345301669 445179091 /nfs/dbraw/zinc/17/90/91/445179091.db2.gz TVNZMHUADYMSQY-UUAJXVIYSA-N 2 2 325.497 1.719 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)NCc2ccc(OC(F)(F)F)cc2)CCC1 ZINC000342116314 445181127 /nfs/dbraw/zinc/18/11/27/445181127.db2.gz DXBSRUKCGWSWAL-UHFFFAOYSA-N 2 2 331.338 1.672 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@](C)(O)C[NH+](C)C)Cc1ccccc1Cl ZINC000339517297 445147282 /nfs/dbraw/zinc/14/72/82/445147282.db2.gz SMLHCJPCRZIYNL-QGZVFWFLSA-N 2 2 341.883 1.591 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@](C)(O)C[NH+](C)C)Cc1ccccc1Cl ZINC000339517297 445147287 /nfs/dbraw/zinc/14/72/87/445147287.db2.gz SMLHCJPCRZIYNL-QGZVFWFLSA-N 2 2 341.883 1.591 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000339546472 445149461 /nfs/dbraw/zinc/14/94/61/445149461.db2.gz UJUGCJCFBNZECN-SFHVURJKSA-N 2 2 341.459 1.051 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000339546472 445149468 /nfs/dbraw/zinc/14/94/68/445149468.db2.gz UJUGCJCFBNZECN-SFHVURJKSA-N 2 2 341.459 1.051 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)C1 ZINC000346668607 445222272 /nfs/dbraw/zinc/22/22/72/445222272.db2.gz FJNQHCMUOXVJDN-GOEBONIOSA-N 2 2 331.526 1.366 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)C1 ZINC000346668607 445222273 /nfs/dbraw/zinc/22/22/73/445222273.db2.gz FJNQHCMUOXVJDN-GOEBONIOSA-N 2 2 331.526 1.366 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)CCN2CCCC2=O)CCC[NH+]1C ZINC000346900213 445227492 /nfs/dbraw/zinc/22/74/92/445227492.db2.gz VLTYEGYHWCEIFG-YJBOKZPZSA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)CCN2CCCC2=O)CCC[N@@H+]1C ZINC000346900213 445227494 /nfs/dbraw/zinc/22/74/94/445227494.db2.gz VLTYEGYHWCEIFG-YJBOKZPZSA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)CCN2CCCC2=O)CCC[N@H+]1C ZINC000346900213 445227496 /nfs/dbraw/zinc/22/74/96/445227496.db2.gz VLTYEGYHWCEIFG-YJBOKZPZSA-N 2 2 333.480 1.357 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000343532653 445239633 /nfs/dbraw/zinc/23/96/33/445239633.db2.gz GCSSWSITUZIOED-INIZCTEOSA-N 2 2 337.414 1.746 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000343532653 445239634 /nfs/dbraw/zinc/23/96/34/445239634.db2.gz GCSSWSITUZIOED-INIZCTEOSA-N 2 2 337.414 1.746 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351852271 445343476 /nfs/dbraw/zinc/34/34/76/445343476.db2.gz MGYWNFDCZPMKOI-MJGOQNOKSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351852271 445343478 /nfs/dbraw/zinc/34/34/78/445343478.db2.gz MGYWNFDCZPMKOI-MJGOQNOKSA-N 3 2 344.503 1.308 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000348857625 445418810 /nfs/dbraw/zinc/41/88/10/445418810.db2.gz CCYKQULHFYPFDT-FUHWJXTLSA-N 2 2 328.416 1.461 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000348857625 445418815 /nfs/dbraw/zinc/41/88/15/445418815.db2.gz CCYKQULHFYPFDT-FUHWJXTLSA-N 2 2 328.416 1.461 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357088546 445420202 /nfs/dbraw/zinc/42/02/02/445420202.db2.gz XSTFBHXUZBMTJN-SJORKVTESA-N 2 2 331.460 1.633 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357088546 445420205 /nfs/dbraw/zinc/42/02/05/445420205.db2.gz XSTFBHXUZBMTJN-SJORKVTESA-N 2 2 331.460 1.633 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCCCSc1ccccc1 ZINC000357088139 445420311 /nfs/dbraw/zinc/42/03/11/445420311.db2.gz OFIVJLHVFPMHHM-HZPDHXFCSA-N 2 2 333.501 1.826 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCCCSc1ccccc1 ZINC000357088139 445420314 /nfs/dbraw/zinc/42/03/14/445420314.db2.gz OFIVJLHVFPMHHM-HZPDHXFCSA-N 2 2 333.501 1.826 20 0 EDADLP CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000359776983 445422420 /nfs/dbraw/zinc/42/24/20/445422420.db2.gz DILJIDUVTJRNHQ-MOPGFXCFSA-N 2 2 345.487 1.688 20 0 EDADLP CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000359776983 445422423 /nfs/dbraw/zinc/42/24/23/445422423.db2.gz DILJIDUVTJRNHQ-MOPGFXCFSA-N 2 2 345.487 1.688 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c[nH+]1 ZINC000348870599 445423189 /nfs/dbraw/zinc/42/31/89/445423189.db2.gz ULRKUGZINWHXDC-QAPCUYQASA-N 2 2 330.432 1.775 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c[nH+]1 ZINC000348870599 445423192 /nfs/dbraw/zinc/42/31/92/445423192.db2.gz ULRKUGZINWHXDC-QAPCUYQASA-N 2 2 330.432 1.775 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000357093361 445423651 /nfs/dbraw/zinc/42/36/51/445423651.db2.gz YDCQRWMBEOWXIH-UHFFFAOYSA-N 2 2 345.365 1.439 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000354859768 445430038 /nfs/dbraw/zinc/43/00/38/445430038.db2.gz VBSHJCUZJNAOOJ-JKSUJKDBSA-N 2 2 342.422 1.999 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348809922 445394384 /nfs/dbraw/zinc/39/43/84/445394384.db2.gz PUIDUSFZMJKLTJ-QZTJIDSGSA-N 2 2 349.450 1.752 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348809922 445394389 /nfs/dbraw/zinc/39/43/89/445394389.db2.gz PUIDUSFZMJKLTJ-QZTJIDSGSA-N 2 2 349.450 1.752 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348817313 445400059 /nfs/dbraw/zinc/40/00/59/445400059.db2.gz KWMFDCFYIYRLBP-CJNGLKHVSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348817313 445400061 /nfs/dbraw/zinc/40/00/61/445400061.db2.gz KWMFDCFYIYRLBP-CJNGLKHVSA-N 2 2 339.867 1.780 20 0 EDADLP CC(C)Cc1ncc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000348943451 445449663 /nfs/dbraw/zinc/44/96/63/445449663.db2.gz XQXSVDXUQJQOTB-UHFFFAOYSA-N 2 2 348.495 1.823 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000348950723 445451846 /nfs/dbraw/zinc/45/18/46/445451846.db2.gz SUMHSWQMBJWONE-RDTXWAMCSA-N 2 2 344.463 1.536 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000348950723 445451849 /nfs/dbraw/zinc/45/18/49/445451849.db2.gz SUMHSWQMBJWONE-RDTXWAMCSA-N 2 2 344.463 1.536 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CCNC(=O)N(C)C)c2cc1C ZINC000348951396 445452223 /nfs/dbraw/zinc/45/22/23/445452223.db2.gz RRKYSWKENCQKIV-HNNXBMFYSA-N 2 2 347.463 1.217 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CCNC(=O)N(C)C)c2cc1C ZINC000348951396 445452226 /nfs/dbraw/zinc/45/22/26/445452226.db2.gz RRKYSWKENCQKIV-HNNXBMFYSA-N 2 2 347.463 1.217 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000362601207 445458599 /nfs/dbraw/zinc/45/85/99/445458599.db2.gz PDAUUSNVORSMRG-VQIMIIECSA-N 2 2 345.487 1.977 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000362601207 445458601 /nfs/dbraw/zinc/45/86/01/445458601.db2.gz PDAUUSNVORSMRG-VQIMIIECSA-N 2 2 345.487 1.977 20 0 EDADLP CSCC[C@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000352052626 445461498 /nfs/dbraw/zinc/46/14/98/445461498.db2.gz MVFYLKZWQVYPCE-HNNXBMFYSA-N 2 2 343.537 1.167 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)c3cccs3)CC2)CC1 ZINC000362622486 445467365 /nfs/dbraw/zinc/46/73/65/445467365.db2.gz OFJMBCFZXSWOEJ-UHFFFAOYSA-N 2 2 335.473 1.417 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCSCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000352395311 445525763 /nfs/dbraw/zinc/52/57/63/445525763.db2.gz FUZADVUCDIKRAC-OAGGEKHMSA-N 2 2 343.537 1.285 20 0 EDADLP COCCOc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362677449 445494049 /nfs/dbraw/zinc/49/40/49/445494049.db2.gz YJSRGMMHCZOTAD-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP COCCOc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362677449 445494054 /nfs/dbraw/zinc/49/40/54/445494054.db2.gz YJSRGMMHCZOTAD-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362682560 445497819 /nfs/dbraw/zinc/49/78/19/445497819.db2.gz DPISGDSNUVKPTR-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362682560 445497824 /nfs/dbraw/zinc/49/78/24/445497824.db2.gz DPISGDSNUVKPTR-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP Cc1cccc2ncc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)n21 ZINC000362682785 445498060 /nfs/dbraw/zinc/49/80/60/445498060.db2.gz GPKBOAMHNSXARQ-HNNXBMFYSA-N 2 2 327.432 1.039 20 0 EDADLP Cc1cccc2ncc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)n21 ZINC000362682785 445498064 /nfs/dbraw/zinc/49/80/64/445498064.db2.gz GPKBOAMHNSXARQ-HNNXBMFYSA-N 2 2 327.432 1.039 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000362697368 445505138 /nfs/dbraw/zinc/50/51/38/445505138.db2.gz KBTRNPJRTOVRMH-INIZCTEOSA-N 2 2 340.427 1.337 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000362697368 445505142 /nfs/dbraw/zinc/50/51/42/445505142.db2.gz KBTRNPJRTOVRMH-INIZCTEOSA-N 2 2 340.427 1.337 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000357773712 445582403 /nfs/dbraw/zinc/58/24/03/445582403.db2.gz HUEXZVTVWKTFHA-HRCADAONSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000357773712 445582407 /nfs/dbraw/zinc/58/24/07/445582407.db2.gz HUEXZVTVWKTFHA-HRCADAONSA-N 2 2 328.501 1.515 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2OC)[C@@H](C)C1 ZINC000360043882 445542802 /nfs/dbraw/zinc/54/28/02/445542802.db2.gz GJTFZGXHWZERDL-WMLDXEAASA-N 2 2 338.496 1.964 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2OC)[C@@H](C)C1 ZINC000360043882 445542804 /nfs/dbraw/zinc/54/28/04/445542804.db2.gz GJTFZGXHWZERDL-WMLDXEAASA-N 2 2 338.496 1.964 20 0 EDADLP CC[N@H+](CCOC)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000353438428 445602564 /nfs/dbraw/zinc/60/25/64/445602564.db2.gz GRDNNEWLWYTXSQ-UHFFFAOYSA-N 2 2 333.476 1.608 20 0 EDADLP CC[N@@H+](CCOC)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000353438428 445602568 /nfs/dbraw/zinc/60/25/68/445602568.db2.gz GRDNNEWLWYTXSQ-UHFFFAOYSA-N 2 2 333.476 1.608 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C)C[NH+](C)C)CC2)s1 ZINC000358518216 445629457 /nfs/dbraw/zinc/62/94/57/445629457.db2.gz DEJSJGSHWKNGCJ-GFCCVEGCSA-N 2 2 325.482 1.229 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000356180249 445664510 /nfs/dbraw/zinc/66/45/10/445664510.db2.gz IWOFQIUJIYBDAS-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000356180249 445664512 /nfs/dbraw/zinc/66/45/12/445664512.db2.gz IWOFQIUJIYBDAS-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000356180249 445664518 /nfs/dbraw/zinc/66/45/18/445664518.db2.gz IWOFQIUJIYBDAS-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000356204965 445674300 /nfs/dbraw/zinc/67/43/00/445674300.db2.gz KUPYIYOMJURQGM-INIZCTEOSA-N 3 2 341.544 1.384 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000356204965 445674303 /nfs/dbraw/zinc/67/43/03/445674303.db2.gz KUPYIYOMJURQGM-INIZCTEOSA-N 3 2 341.544 1.384 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CCN(c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000363106709 445680649 /nfs/dbraw/zinc/68/06/49/445680649.db2.gz WFHGEIHXQJRWMA-UHFFFAOYSA-N 2 2 340.431 1.012 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000349867595 445703396 /nfs/dbraw/zinc/70/33/96/445703396.db2.gz KAJGKLKQLBZXHO-WMZOPIPTSA-N 2 2 348.491 1.618 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](CC(F)F)CC3)C2)C1 ZINC000356258564 445704325 /nfs/dbraw/zinc/70/43/25/445704325.db2.gz PNOLFRMPIAGEQI-QGZVFWFLSA-N 2 2 329.435 1.908 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](CC(F)F)CC3)C2)C1 ZINC000356258564 445704333 /nfs/dbraw/zinc/70/43/33/445704333.db2.gz PNOLFRMPIAGEQI-QGZVFWFLSA-N 2 2 329.435 1.908 20 0 EDADLP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@@H](C)[NH+]1C ZINC000358675052 445709064 /nfs/dbraw/zinc/70/90/64/445709064.db2.gz IGGXBLNISHNFPD-HUUCEWRRSA-N 2 2 333.480 1.183 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000353691195 445709892 /nfs/dbraw/zinc/70/98/92/445709892.db2.gz QTCIWMBPFRSNTE-SFHVURJKSA-N 2 2 349.523 1.848 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000356277935 445713762 /nfs/dbraw/zinc/71/37/62/445713762.db2.gz JCKBVTCURQOPPX-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000356277935 445713766 /nfs/dbraw/zinc/71/37/66/445713766.db2.gz JCKBVTCURQOPPX-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363212484 445723154 /nfs/dbraw/zinc/72/31/54/445723154.db2.gz RMJVPABVYYKNRW-HNNXBMFYSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363212484 445723161 /nfs/dbraw/zinc/72/31/61/445723161.db2.gz RMJVPABVYYKNRW-HNNXBMFYSA-N 2 2 342.447 1.941 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(c3nccn4cnnc34)CC2)CC1 ZINC000363278335 445750549 /nfs/dbraw/zinc/75/05/49/445750549.db2.gz LYNXEDUOLDIOIR-UHFFFAOYSA-N 2 2 329.452 1.121 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000358748776 445756677 /nfs/dbraw/zinc/75/66/77/445756677.db2.gz JSZUXDZNCYAVBW-QGZVFWFLSA-N 2 2 328.464 1.510 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000356371832 445756862 /nfs/dbraw/zinc/75/68/62/445756862.db2.gz XWAFJWJHNHSSMC-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000356371832 445756870 /nfs/dbraw/zinc/75/68/70/445756870.db2.gz XWAFJWJHNHSSMC-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000358762611 445762961 /nfs/dbraw/zinc/76/29/61/445762961.db2.gz YQIBPTUSDYTVFP-CVEARBPZSA-N 2 2 342.447 1.071 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000358762611 445762968 /nfs/dbraw/zinc/76/29/68/445762968.db2.gz YQIBPTUSDYTVFP-CVEARBPZSA-N 2 2 342.447 1.071 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000353951355 445823797 /nfs/dbraw/zinc/82/37/97/445823797.db2.gz OJZNCXPUYAMVJW-JKSUJKDBSA-N 2 2 334.464 1.718 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000353951355 445823802 /nfs/dbraw/zinc/82/38/02/445823802.db2.gz OJZNCXPUYAMVJW-JKSUJKDBSA-N 2 2 334.464 1.718 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000361479556 445779940 /nfs/dbraw/zinc/77/99/40/445779940.db2.gz SKBQJHDUEWXAOX-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000361479556 445779946 /nfs/dbraw/zinc/77/99/46/445779946.db2.gz SKBQJHDUEWXAOX-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000361479556 445779948 /nfs/dbraw/zinc/77/99/48/445779948.db2.gz SKBQJHDUEWXAOX-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000361479556 445779954 /nfs/dbraw/zinc/77/99/54/445779954.db2.gz SKBQJHDUEWXAOX-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000361518098 445798683 /nfs/dbraw/zinc/79/86/83/445798683.db2.gz HSLNWCICBXXUKM-OAHLLOKOSA-N 2 2 334.464 1.763 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCOCC1 ZINC000363436440 445802166 /nfs/dbraw/zinc/80/21/66/445802166.db2.gz KJUKGCYSRXIPGG-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCOCC1 ZINC000363436440 445802169 /nfs/dbraw/zinc/80/21/69/445802169.db2.gz KJUKGCYSRXIPGG-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCOCC1 ZINC000363436440 445802173 /nfs/dbraw/zinc/80/21/73/445802173.db2.gz KJUKGCYSRXIPGG-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCOCC1 ZINC000363436440 445802175 /nfs/dbraw/zinc/80/21/75/445802175.db2.gz KJUKGCYSRXIPGG-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)C1CCOCC1 ZINC000356511402 445832841 /nfs/dbraw/zinc/83/28/41/445832841.db2.gz XRUSACIVCBHGQJ-HOCLYGCPSA-N 2 2 343.431 1.778 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000363458689 445812932 /nfs/dbraw/zinc/81/29/32/445812932.db2.gz AALWBDQPGSBIQB-OAHLLOKOSA-N 2 2 325.478 1.907 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000363458689 445812935 /nfs/dbraw/zinc/81/29/35/445812935.db2.gz AALWBDQPGSBIQB-OAHLLOKOSA-N 2 2 325.478 1.907 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000356596080 445878034 /nfs/dbraw/zinc/87/80/34/445878034.db2.gz KMSLMEGQGOMENX-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000356596080 445878037 /nfs/dbraw/zinc/87/80/37/445878037.db2.gz KMSLMEGQGOMENX-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000356596080 445878040 /nfs/dbraw/zinc/87/80/40/445878040.db2.gz KMSLMEGQGOMENX-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000356596080 445878041 /nfs/dbraw/zinc/87/80/41/445878041.db2.gz KMSLMEGQGOMENX-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP Cc1cc(=O)[nH]cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363921411 445885523 /nfs/dbraw/zinc/88/55/23/445885523.db2.gz OCIBIEDNZVIEGQ-OAHLLOKOSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1cc(=O)[nH]cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363921411 445885527 /nfs/dbraw/zinc/88/55/27/445885527.db2.gz OCIBIEDNZVIEGQ-OAHLLOKOSA-N 2 2 332.448 1.336 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000353973890 445835017 /nfs/dbraw/zinc/83/50/17/445835017.db2.gz QZILYJXKTRRNPS-CXAGYDPISA-N 2 2 327.428 1.745 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000353973890 445835021 /nfs/dbraw/zinc/83/50/21/445835021.db2.gz QZILYJXKTRRNPS-CXAGYDPISA-N 2 2 327.428 1.745 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000356542814 445850477 /nfs/dbraw/zinc/85/04/77/445850477.db2.gz HUKALDCIUIHBBK-HOTGVXAUSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000356542814 445850483 /nfs/dbraw/zinc/85/04/83/445850483.db2.gz HUKALDCIUIHBBK-HOTGVXAUSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000354008296 445851322 /nfs/dbraw/zinc/85/13/22/445851322.db2.gz SAOGLUKRMIZMOL-OAHLLOKOSA-N 2 2 333.480 1.185 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000354008296 445851326 /nfs/dbraw/zinc/85/13/26/445851326.db2.gz SAOGLUKRMIZMOL-OAHLLOKOSA-N 2 2 333.480 1.185 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354018310 445857867 /nfs/dbraw/zinc/85/78/67/445857867.db2.gz FIKUPJJPXBDHJU-VQHPVUNQSA-N 2 2 325.497 1.673 20 0 EDADLP CS[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1[NH+]1CCCC1 ZINC000361631835 445857869 /nfs/dbraw/zinc/85/78/69/445857869.db2.gz QRCABVWGPLCCCF-LSDHHAIUSA-N 2 2 338.477 1.388 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354018310 445857870 /nfs/dbraw/zinc/85/78/70/445857870.db2.gz FIKUPJJPXBDHJU-VQHPVUNQSA-N 2 2 325.497 1.673 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000363760323 445873566 /nfs/dbraw/zinc/87/35/66/445873566.db2.gz SMNJLRWJLDXIEF-UHFFFAOYSA-N 2 2 342.447 1.670 20 0 EDADLP CCN1CCN(C(=O)NC[C@H](C)[NH+](CC)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000350749396 445896631 /nfs/dbraw/zinc/89/66/31/445896631.db2.gz UJPNNXKXNRUEGV-GJZGRUSLSA-N 2 2 336.484 1.528 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000372923544 445923087 /nfs/dbraw/zinc/92/30/87/445923087.db2.gz HJQCCKAVHBPKJL-KRWDZBQOSA-N 2 2 345.487 1.915 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC000361764801 445925020 /nfs/dbraw/zinc/92/50/20/445925020.db2.gz NLHFPLMGJMSPIB-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC000361764801 445925026 /nfs/dbraw/zinc/92/50/26/445925026.db2.gz NLHFPLMGJMSPIB-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC000361764801 445925031 /nfs/dbraw/zinc/92/50/31/445925031.db2.gz NLHFPLMGJMSPIB-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC000361764801 445925035 /nfs/dbraw/zinc/92/50/35/445925035.db2.gz NLHFPLMGJMSPIB-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCO1 ZINC000372987042 445960559 /nfs/dbraw/zinc/96/05/59/445960559.db2.gz XKXJDWVYNCTXIK-INIZCTEOSA-N 2 2 349.479 1.731 20 0 EDADLP COc1cccc([C@@H](NC(=O)/C=C/C[NH+](C)C)c2[nH+]ccn2C)c1 ZINC000369159706 445961540 /nfs/dbraw/zinc/96/15/40/445961540.db2.gz BJXBWYPJHFUCAY-RCMYXZNBSA-N 2 2 328.416 1.752 20 0 EDADLP C[C@H](O)c1cnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000366020691 445966164 /nfs/dbraw/zinc/96/61/64/445966164.db2.gz BKKZPQPRGVZHIB-ZDUSSCGKSA-N 2 2 325.478 1.741 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000356736635 445977968 /nfs/dbraw/zinc/97/79/68/445977968.db2.gz FVAZEUDZOIIRGS-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000356736635 445977972 /nfs/dbraw/zinc/97/79/72/445977972.db2.gz FVAZEUDZOIIRGS-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000369143897 445950860 /nfs/dbraw/zinc/95/08/60/445950860.db2.gz MXNPSBOOZFYXKF-GTPINHCMSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366105730 446016520 /nfs/dbraw/zinc/01/65/20/446016520.db2.gz NDVBGWZPYRWBKZ-AWEZNQCLSA-N 2 2 349.479 1.409 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366105730 446016523 /nfs/dbraw/zinc/01/65/23/446016523.db2.gz NDVBGWZPYRWBKZ-AWEZNQCLSA-N 2 2 349.479 1.409 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Cl)cc3O)C2)CC1 ZINC000369254858 446024962 /nfs/dbraw/zinc/02/49/62/446024962.db2.gz LLMMTXRWOXNPML-CYBMUJFWSA-N 2 2 337.851 1.944 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Cl)cc3O)C2)CC1 ZINC000369254858 446024967 /nfs/dbraw/zinc/02/49/67/446024967.db2.gz LLMMTXRWOXNPML-CYBMUJFWSA-N 2 2 337.851 1.944 20 0 EDADLP COc1cc(OC)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369268342 446033880 /nfs/dbraw/zinc/03/38/80/446033880.db2.gz SHEHQJSQUGKOFV-OAHLLOKOSA-N 2 2 347.459 1.602 20 0 EDADLP COc1cc(OC)cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369268342 446033885 /nfs/dbraw/zinc/03/38/85/446033885.db2.gz SHEHQJSQUGKOFV-OAHLLOKOSA-N 2 2 347.459 1.602 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000365117193 446036872 /nfs/dbraw/zinc/03/68/72/446036872.db2.gz BWZCXRGJKCPTKA-IEBWSBKVSA-N 2 2 345.487 1.703 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000582972966 325972656 /nfs/dbraw/zinc/97/26/56/325972656.db2.gz XLILGVDSYIJSAK-UHFFFAOYSA-N 3 2 333.524 1.702 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000369218175 446000475 /nfs/dbraw/zinc/00/04/75/446000475.db2.gz GLLXYSQYRMIYPD-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000369218175 446000478 /nfs/dbraw/zinc/00/04/78/446000478.db2.gz GLLXYSQYRMIYPD-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000369218175 446000483 /nfs/dbraw/zinc/00/04/83/446000483.db2.gz GLLXYSQYRMIYPD-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000369218175 446000486 /nfs/dbraw/zinc/00/04/86/446000486.db2.gz GLLXYSQYRMIYPD-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000583193111 326022873 /nfs/dbraw/zinc/02/28/73/326022873.db2.gz CVTAXXKGBPJKPD-IXDOHACOSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000583193111 326022874 /nfs/dbraw/zinc/02/28/74/326022874.db2.gz CVTAXXKGBPJKPD-IXDOHACOSA-N 2 2 338.496 1.271 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000583434030 326071475 /nfs/dbraw/zinc/07/14/75/326071475.db2.gz IOVKHUGZVZXVKV-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000583434030 326071478 /nfs/dbraw/zinc/07/14/78/326071478.db2.gz IOVKHUGZVZXVKV-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000583683165 326117395 /nfs/dbraw/zinc/11/73/95/326117395.db2.gz ULWLTWPFMHNOSI-SJLPKXTDSA-N 2 2 345.491 1.187 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000583683165 326117399 /nfs/dbraw/zinc/11/73/99/326117399.db2.gz ULWLTWPFMHNOSI-SJLPKXTDSA-N 2 2 345.491 1.187 20 0 EDADLP CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000584038984 326187287 /nfs/dbraw/zinc/18/72/87/326187287.db2.gz QRFYDZZEMXKURO-OAGGEKHMSA-N 2 2 332.448 1.276 20 0 EDADLP CC(C)(C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1c[nH]c[nH+]1 ZINC000584072759 326194888 /nfs/dbraw/zinc/19/48/88/326194888.db2.gz CLKVRCIMCZCGNW-MRXNPFEDSA-N 2 2 342.443 1.223 20 0 EDADLP CC(C)(C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1c[nH]c[nH+]1 ZINC000584072759 326194890 /nfs/dbraw/zinc/19/48/90/326194890.db2.gz CLKVRCIMCZCGNW-MRXNPFEDSA-N 2 2 342.443 1.223 20 0 EDADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000356851898 446071035 /nfs/dbraw/zinc/07/10/35/446071035.db2.gz RDUSEGXWACICLC-DOTOQJQBSA-N 2 2 346.475 1.228 20 0 EDADLP COc1cc(C)sc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369325167 446074236 /nfs/dbraw/zinc/07/42/36/446074236.db2.gz NTBWWWQDSALSFX-ZDUSSCGKSA-N 2 2 337.489 1.963 20 0 EDADLP COc1cc(C)sc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369325167 446074242 /nfs/dbraw/zinc/07/42/42/446074242.db2.gz NTBWWWQDSALSFX-ZDUSSCGKSA-N 2 2 337.489 1.963 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)C1 ZINC000361939556 446089116 /nfs/dbraw/zinc/08/91/16/446089116.db2.gz NVGWHXNMSMQCGM-PMACEKPBSA-N 2 2 347.503 1.232 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)C1 ZINC000361939556 446089120 /nfs/dbraw/zinc/08/91/20/446089120.db2.gz NVGWHXNMSMQCGM-PMACEKPBSA-N 2 2 347.503 1.232 20 0 EDADLP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359306348 446137634 /nfs/dbraw/zinc/13/76/34/446137634.db2.gz LXUPJKJFGWRHOX-ILXRZTDVSA-N 2 2 342.443 1.292 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)C[N@@H+]1C1CC1 ZINC000369641483 446138509 /nfs/dbraw/zinc/13/85/09/446138509.db2.gz SVNWLVSWMCVCBC-RBSFLKMASA-N 2 2 331.464 1.712 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)C[N@H+]1C1CC1 ZINC000369641483 446138514 /nfs/dbraw/zinc/13/85/14/446138514.db2.gz SVNWLVSWMCVCBC-RBSFLKMASA-N 2 2 331.464 1.712 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]12 ZINC000351489405 446091594 /nfs/dbraw/zinc/09/15/94/446091594.db2.gz HAKSRLIYCKWUIM-ADEWGFFLSA-N 2 2 339.342 1.616 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]12 ZINC000351489405 446091598 /nfs/dbraw/zinc/09/15/98/446091598.db2.gz HAKSRLIYCKWUIM-ADEWGFFLSA-N 2 2 339.342 1.616 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000369651736 446140254 /nfs/dbraw/zinc/14/02/54/446140254.db2.gz ZVHFARNHGOZYCQ-CRAIPNDOSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000361980086 446123510 /nfs/dbraw/zinc/12/35/10/446123510.db2.gz GTGPJNWBMXPREC-WBVHZDCISA-N 2 2 326.448 1.784 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000361980086 446123513 /nfs/dbraw/zinc/12/35/13/446123513.db2.gz GTGPJNWBMXPREC-WBVHZDCISA-N 2 2 326.448 1.784 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359291951 446126893 /nfs/dbraw/zinc/12/68/93/446126893.db2.gz UASFWPNOYAHCQI-GJZGRUSLSA-N 2 2 335.423 1.204 20 0 EDADLP CCCCCC[C@@H](O)C[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000365382986 446178613 /nfs/dbraw/zinc/17/86/13/446178613.db2.gz YTVTYTXNXMLKGY-IAGOWNOFSA-N 2 2 346.537 1.559 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000365382513 446178803 /nfs/dbraw/zinc/17/88/03/446178803.db2.gz CGAKUGYDHOAPPN-UHFFFAOYSA-N 2 2 330.436 1.078 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1C ZINC000354415598 446188738 /nfs/dbraw/zinc/18/87/38/446188738.db2.gz ZRBLABBHHYINJJ-HOCLYGCPSA-N 2 2 334.464 1.323 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1C ZINC000354415598 446188743 /nfs/dbraw/zinc/18/87/43/446188743.db2.gz ZRBLABBHHYINJJ-HOCLYGCPSA-N 2 2 334.464 1.323 20 0 EDADLP c1cc(O[C@@H]2CCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)cc[nH+]1 ZINC000369671685 446145377 /nfs/dbraw/zinc/14/53/77/446145377.db2.gz VJKYENUSOKRGFD-GOEBONIOSA-N 2 2 341.415 2.120 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351619876 446213461 /nfs/dbraw/zinc/21/34/61/446213461.db2.gz LUSOJKSWHDRVCS-IXDOHACOSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351619876 446213464 /nfs/dbraw/zinc/21/34/64/446213464.db2.gz LUSOJKSWHDRVCS-IXDOHACOSA-N 2 2 325.497 1.722 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c[nH+]1 ZINC000362105931 446217245 /nfs/dbraw/zinc/21/72/45/446217245.db2.gz KGWZQWNYBTUNMI-KRWDZBQOSA-N 2 2 345.491 1.753 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365554315 446252347 /nfs/dbraw/zinc/25/23/47/446252347.db2.gz ZMKQLLRLOYNELL-OAHLLOKOSA-N 2 2 330.436 1.904 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000365583149 446261947 /nfs/dbraw/zinc/26/19/47/446261947.db2.gz KVMWNTYJOHLSAU-MRXNPFEDSA-N 2 2 336.480 1.121 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000366633490 446287779 /nfs/dbraw/zinc/28/77/79/446287779.db2.gz KTEFCTYBNZLQRR-CRAIPNDOSA-N 2 2 332.448 1.325 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+](Cc2c[nH]c3nccnc23)CC1 ZINC000365656050 446289722 /nfs/dbraw/zinc/28/97/22/446289722.db2.gz JSOPINWNIXGBCN-UHFFFAOYSA-N 2 2 339.447 1.834 20 0 EDADLP C[C@@]([NH3+])(C(=O)NCC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000373907520 446340901 /nfs/dbraw/zinc/34/09/01/446340901.db2.gz RMKJNVGJJIKQPK-SFHVURJKSA-N 2 2 331.460 1.622 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417953751 446398795 /nfs/dbraw/zinc/39/87/95/446398795.db2.gz OWBHCXZTMWUFAK-QWHCGFSZSA-N 2 2 348.344 1.603 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417953751 446398798 /nfs/dbraw/zinc/39/87/98/446398798.db2.gz OWBHCXZTMWUFAK-QWHCGFSZSA-N 2 2 348.344 1.603 20 0 EDADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000370616442 446358961 /nfs/dbraw/zinc/35/89/61/446358961.db2.gz SXHWBXMTQGVSAG-WMZOPIPTSA-N 2 2 335.496 1.521 20 0 EDADLP CCc1nc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc(C)[nH+]1 ZINC000376187970 446371933 /nfs/dbraw/zinc/37/19/33/446371933.db2.gz OBXPXFZZTDOOFG-KRWDZBQOSA-N 2 2 347.507 1.579 20 0 EDADLP CCc1nc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc(C)[nH+]1 ZINC000376187970 446371936 /nfs/dbraw/zinc/37/19/36/446371936.db2.gz OBXPXFZZTDOOFG-KRWDZBQOSA-N 2 2 347.507 1.579 20 0 EDADLP CN(C(=O)c1cncc(Cl)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370648134 446372769 /nfs/dbraw/zinc/37/27/69/446372769.db2.gz NTZUZAADVNCNDJ-ZDUSSCGKSA-N 2 2 337.855 1.371 20 0 EDADLP CN(C(=O)c1cncc(Cl)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370648134 446372775 /nfs/dbraw/zinc/37/27/75/446372775.db2.gz NTZUZAADVNCNDJ-ZDUSSCGKSA-N 2 2 337.855 1.371 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000366843202 446377996 /nfs/dbraw/zinc/37/79/96/446377996.db2.gz OGJSGSIQGHNJSI-CVEARBPZSA-N 2 2 338.411 1.537 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000366843202 446378000 /nfs/dbraw/zinc/37/80/00/446378000.db2.gz OGJSGSIQGHNJSI-CVEARBPZSA-N 2 2 338.411 1.537 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000366843206 446378263 /nfs/dbraw/zinc/37/82/63/446378263.db2.gz OGJSGSIQGHNJSI-HOTGVXAUSA-N 2 2 338.411 1.537 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000366843206 446378266 /nfs/dbraw/zinc/37/82/66/446378266.db2.gz OGJSGSIQGHNJSI-HOTGVXAUSA-N 2 2 338.411 1.537 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000376213622 446383584 /nfs/dbraw/zinc/38/35/84/446383584.db2.gz YNBYMIDALLCHKB-YOEHRIQHSA-N 2 2 342.447 1.750 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000376213622 446383587 /nfs/dbraw/zinc/38/35/87/446383587.db2.gz YNBYMIDALLCHKB-YOEHRIQHSA-N 2 2 342.447 1.750 20 0 EDADLP NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000365881988 446385326 /nfs/dbraw/zinc/38/53/26/446385326.db2.gz APQXDHSXNXRHQV-JYJNAYRXSA-N 2 2 325.416 1.886 20 0 EDADLP NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000365881988 446385331 /nfs/dbraw/zinc/38/53/31/446385331.db2.gz APQXDHSXNXRHQV-JYJNAYRXSA-N 2 2 325.416 1.886 20 0 EDADLP CN(C(=O)NCc1ccn(C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376324433 446428407 /nfs/dbraw/zinc/42/84/07/446428407.db2.gz YMYUTDPOLKECGK-QGZVFWFLSA-N 2 2 333.480 1.335 20 0 EDADLP CN(C(=O)NCc1ccn(C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376324433 446428411 /nfs/dbraw/zinc/42/84/11/446428411.db2.gz YMYUTDPOLKECGK-QGZVFWFLSA-N 2 2 333.480 1.335 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000411215186 446429451 /nfs/dbraw/zinc/42/94/51/446429451.db2.gz QODLZNRRQFNCOV-AWEZNQCLSA-N 2 2 341.415 1.406 20 0 EDADLP CC(C)c1nc(N2C[C@@H](C[NH3+])C3(C2)CCOCC3)nc(N(C)C)[nH+]1 ZINC000420268216 446440166 /nfs/dbraw/zinc/44/01/66/446440166.db2.gz HKGGVIVYNAULJT-CYBMUJFWSA-N 2 2 334.468 1.253 20 0 EDADLP CC(C)c1nc(N(C)C)nc(N2C[C@@H](C[NH3+])C3(C2)CCOCC3)[nH+]1 ZINC000420268216 446440174 /nfs/dbraw/zinc/44/01/74/446440174.db2.gz HKGGVIVYNAULJT-CYBMUJFWSA-N 2 2 334.468 1.253 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCCO[C@H](C[NH3+])C2)nc[nH+]1 ZINC000420275346 446444717 /nfs/dbraw/zinc/44/47/17/446444717.db2.gz FTRPGOFZYBCYJV-RKVPGOIHSA-N 2 2 349.479 1.646 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCCO[C@H](C[NH3+])C2)[nH+]cn1 ZINC000420275346 446444723 /nfs/dbraw/zinc/44/47/23/446444723.db2.gz FTRPGOFZYBCYJV-RKVPGOIHSA-N 2 2 349.479 1.646 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000423178082 446446411 /nfs/dbraw/zinc/44/64/11/446446411.db2.gz JXQVCAAWNURJRL-CYBMUJFWSA-N 2 2 325.478 1.907 20 0 EDADLP C[C@H]([NH2+]CCC[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423196764 446452133 /nfs/dbraw/zinc/45/21/33/446452133.db2.gz WDMZAXKOQWOATR-ZETCQYMHSA-N 2 2 326.249 1.640 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000370766474 446424032 /nfs/dbraw/zinc/42/40/32/446424032.db2.gz MIBUTVADHHUUAF-SRVKXCTJSA-N 2 2 330.354 1.982 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000420291871 446455645 /nfs/dbraw/zinc/45/56/45/446455645.db2.gz OEUKDPQQSKCCIO-LBPRGKRZSA-N 2 2 339.461 1.557 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000420291871 446455649 /nfs/dbraw/zinc/45/56/49/446455649.db2.gz OEUKDPQQSKCCIO-LBPRGKRZSA-N 2 2 339.461 1.557 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000420296962 446458684 /nfs/dbraw/zinc/45/86/84/446458684.db2.gz CUFNXNDZPQJOLX-GOSISDBHSA-N 2 2 340.431 1.984 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370818587 446459252 /nfs/dbraw/zinc/45/92/52/446459252.db2.gz HAYVBMOMEAFXKU-KRWDZBQOSA-N 2 2 347.507 1.586 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370818587 446459260 /nfs/dbraw/zinc/45/92/60/446459260.db2.gz HAYVBMOMEAFXKU-KRWDZBQOSA-N 2 2 347.507 1.586 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1 ZINC000420298131 446459707 /nfs/dbraw/zinc/45/97/07/446459707.db2.gz GUOUOQKXFIBFHE-VNHYZAJKSA-N 2 2 328.478 1.491 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1 ZINC000420298131 446459710 /nfs/dbraw/zinc/45/97/10/446459710.db2.gz GUOUOQKXFIBFHE-VNHYZAJKSA-N 2 2 328.478 1.491 20 0 EDADLP CCOC1CC(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000376373396 446460745 /nfs/dbraw/zinc/46/07/45/446460745.db2.gz CJLYXTZQOZSXDZ-FUDRRUEFSA-N 2 2 335.492 1.571 20 0 EDADLP CCOC1CC(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000376373396 446460747 /nfs/dbraw/zinc/46/07/47/446460747.db2.gz CJLYXTZQOZSXDZ-FUDRRUEFSA-N 2 2 335.492 1.571 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CC(=O)Nc2cc(C)on2)cc1 ZINC000420302235 446465674 /nfs/dbraw/zinc/46/56/74/446465674.db2.gz JIWUGGUSBLYVIR-AWEZNQCLSA-N 2 2 332.404 1.604 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC(=O)Nc2cc(C)on2)cc1 ZINC000420302235 446465679 /nfs/dbraw/zinc/46/56/79/446465679.db2.gz JIWUGGUSBLYVIR-AWEZNQCLSA-N 2 2 332.404 1.604 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000420303199 446466399 /nfs/dbraw/zinc/46/63/99/446466399.db2.gz HLMIMNYERIATLA-CWRNSKLLSA-N 2 2 331.416 1.471 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000420303199 446466404 /nfs/dbraw/zinc/46/64/04/446466404.db2.gz HLMIMNYERIATLA-CWRNSKLLSA-N 2 2 331.416 1.471 20 0 EDADLP [NH3+][C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C1CCC1 ZINC000423304432 446481553 /nfs/dbraw/zinc/48/15/53/446481553.db2.gz NVVYNJVHFRMPAC-SFHVURJKSA-N 2 2 344.459 1.333 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000420314051 446477461 /nfs/dbraw/zinc/47/74/61/446477461.db2.gz JSNUJICDCQSVED-WZRBSPASSA-N 2 2 337.445 1.309 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2C[C@@H](C[NH3+])C[C@H]2C)C1=O ZINC000420314051 446477470 /nfs/dbraw/zinc/47/74/70/446477470.db2.gz JSNUJICDCQSVED-WZRBSPASSA-N 2 2 337.445 1.309 20 0 EDADLP CC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000420322921 446488818 /nfs/dbraw/zinc/48/88/18/446488818.db2.gz STLLWHAEZDZSFU-GJZGRUSLSA-N 2 2 326.462 1.247 20 0 EDADLP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000420322921 446488824 /nfs/dbraw/zinc/48/88/24/446488824.db2.gz STLLWHAEZDZSFU-GJZGRUSLSA-N 2 2 326.462 1.247 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000423342541 446495987 /nfs/dbraw/zinc/49/59/87/446495987.db2.gz NFNWAPPSFORXPG-MSOLQXFVSA-N 2 2 345.487 1.954 20 0 EDADLP [NH3+][C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1c(F)cccc1F ZINC000423343251 446496458 /nfs/dbraw/zinc/49/64/58/446496458.db2.gz ZOWCHGGAQWRUBB-MRXNPFEDSA-N 2 2 334.370 1.856 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)CC12CCOCC2 ZINC000420327160 446495231 /nfs/dbraw/zinc/49/52/31/446495231.db2.gz KTXKBHLGWGIDOB-GFCCVEGCSA-N 2 2 339.386 1.591 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)CC12CCOCC2 ZINC000420327160 446495236 /nfs/dbraw/zinc/49/52/36/446495236.db2.gz KTXKBHLGWGIDOB-GFCCVEGCSA-N 2 2 339.386 1.591 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]C1 ZINC000423362232 446501990 /nfs/dbraw/zinc/50/19/90/446501990.db2.gz MZDYKNNYQBRGGJ-QGZVFWFLSA-N 2 2 332.379 1.254 20 0 EDADLP COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)C2CC([NH3+])C2)c(OC)c1 ZINC000420335875 446506470 /nfs/dbraw/zinc/50/64/70/446506470.db2.gz PTVDCWXVXWYUCG-MQBCKMQZSA-N 2 2 347.459 1.789 20 0 EDADLP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)C2CC([NH3+])C2)c(OC)c1 ZINC000420335875 446506475 /nfs/dbraw/zinc/50/64/75/446506475.db2.gz PTVDCWXVXWYUCG-MQBCKMQZSA-N 2 2 347.459 1.789 20 0 EDADLP C[C@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C[NH+]1CCOCC1 ZINC000376456905 446508027 /nfs/dbraw/zinc/50/80/27/446508027.db2.gz AHELCFCKNQZOHV-OAHLLOKOSA-N 2 2 349.479 1.329 20 0 EDADLP Cc1cccc(C[NH+]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000374991979 446500254 /nfs/dbraw/zinc/50/02/54/446500254.db2.gz ZZAXPXPTHZKWLM-BGYRXZFFSA-N 2 2 329.488 1.976 20 0 EDADLP Cc1cccc(C[NH+]2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000374991979 446500260 /nfs/dbraw/zinc/50/02/60/446500260.db2.gz ZZAXPXPTHZKWLM-BGYRXZFFSA-N 2 2 329.488 1.976 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000418477707 446557997 /nfs/dbraw/zinc/55/79/97/446557997.db2.gz VUXLVTQQHJAWEI-HNNXBMFYSA-N 2 2 334.464 1.507 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000418476795 446558084 /nfs/dbraw/zinc/55/80/84/446558084.db2.gz XJWCPPIRVVEVRT-HOTGVXAUSA-N 3 2 339.528 1.314 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000418476795 446558085 /nfs/dbraw/zinc/55/80/85/446558085.db2.gz XJWCPPIRVVEVRT-HOTGVXAUSA-N 3 2 339.528 1.314 20 0 EDADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420393425 446568382 /nfs/dbraw/zinc/56/83/82/446568382.db2.gz QMCUXJVJCHLRPZ-SFHVURJKSA-N 2 2 333.476 1.783 20 0 EDADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420393425 446568386 /nfs/dbraw/zinc/56/83/86/446568386.db2.gz QMCUXJVJCHLRPZ-SFHVURJKSA-N 2 2 333.476 1.783 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cn1 ZINC000616483672 450433603 /nfs/dbraw/zinc/43/36/03/450433603.db2.gz IKBWFKOLJJVRDN-UHFFFAOYSA-N 2 2 349.438 2.533 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(C)[nH+]1 ZINC000411403503 446521185 /nfs/dbraw/zinc/52/11/85/446521185.db2.gz VACDVGFXBWYWRW-OAHLLOKOSA-N 2 2 330.432 1.640 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c(C)[nH+]1 ZINC000411403503 446521193 /nfs/dbraw/zinc/52/11/93/446521193.db2.gz VACDVGFXBWYWRW-OAHLLOKOSA-N 2 2 330.432 1.640 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000411409491 446527253 /nfs/dbraw/zinc/52/72/53/446527253.db2.gz QGUVOJHAAHZVIW-ZIAGYGMSSA-N 2 2 332.448 1.886 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000411409491 446527256 /nfs/dbraw/zinc/52/72/56/446527256.db2.gz QGUVOJHAAHZVIW-ZIAGYGMSSA-N 2 2 332.448 1.886 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000420362821 446542952 /nfs/dbraw/zinc/54/29/52/446542952.db2.gz IYVGPCQKNJCBRS-IGCXYCKISA-N 2 2 339.867 1.811 20 0 EDADLP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000453099615 446545195 /nfs/dbraw/zinc/54/51/95/446545195.db2.gz UMNXHWOVEHXPIT-SJORKVTESA-N 2 2 335.496 1.440 20 0 EDADLP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000453099615 446545200 /nfs/dbraw/zinc/54/52/00/446545200.db2.gz UMNXHWOVEHXPIT-SJORKVTESA-N 2 2 335.496 1.440 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000420376242 446552818 /nfs/dbraw/zinc/55/28/18/446552818.db2.gz QFHPRKXABZWRPJ-HZEGPAAWSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000420376242 446552821 /nfs/dbraw/zinc/55/28/21/446552821.db2.gz QFHPRKXABZWRPJ-HZEGPAAWSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420376242 446552823 /nfs/dbraw/zinc/55/28/23/446552823.db2.gz QFHPRKXABZWRPJ-HZEGPAAWSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420376242 446552828 /nfs/dbraw/zinc/55/28/28/446552828.db2.gz QFHPRKXABZWRPJ-HZEGPAAWSA-N 3 2 343.515 1.866 20 0 EDADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000423500847 446555203 /nfs/dbraw/zinc/55/52/03/446555203.db2.gz DAUWLOBUXBKGOU-QZTJIDSGSA-N 2 2 328.464 1.211 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420395511 446570573 /nfs/dbraw/zinc/57/05/73/446570573.db2.gz DMHYZDPDZQVKEX-BPNCWPANSA-N 2 2 335.448 1.906 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420395511 446570576 /nfs/dbraw/zinc/57/05/76/446570576.db2.gz DMHYZDPDZQVKEX-BPNCWPANSA-N 2 2 335.448 1.906 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000420397721 446571099 /nfs/dbraw/zinc/57/10/99/446571099.db2.gz MWPKPMBYUCZHDY-HOTGVXAUSA-N 2 2 346.475 1.140 20 0 EDADLP Cc1n[nH]cc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000375097985 446579214 /nfs/dbraw/zinc/57/92/14/446579214.db2.gz VYNVCTBNFHUBJH-SJPCQFCGSA-N 2 2 346.479 1.171 20 0 EDADLP Cc1n[nH]cc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000375097985 446579221 /nfs/dbraw/zinc/57/92/21/446579221.db2.gz VYNVCTBNFHUBJH-SJPCQFCGSA-N 2 2 346.479 1.171 20 0 EDADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1csc(C[NH3+])n1 ZINC000376570777 446583498 /nfs/dbraw/zinc/58/34/98/446583498.db2.gz MGUPRMKINJZPGX-CYBMUJFWSA-N 2 2 332.429 1.397 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[NH+]2CCC1CC2)C1CCOCC1 ZINC000376570554 446583668 /nfs/dbraw/zinc/58/36/68/446583668.db2.gz VNWUORSQSCMEJK-MRXNPFEDSA-N 2 2 347.463 1.377 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000420411054 446585370 /nfs/dbraw/zinc/58/53/70/446585370.db2.gz RQFCHADAJLSNFM-IHRRRGAJSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000420411054 446585374 /nfs/dbraw/zinc/58/53/74/446585374.db2.gz RQFCHADAJLSNFM-IHRRRGAJSA-N 2 2 335.448 1.948 20 0 EDADLP Cc1nc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc(N(C)C)[nH+]1 ZINC000433773805 446597331 /nfs/dbraw/zinc/59/73/31/446597331.db2.gz IPJREIWEWCMSRX-HOTGVXAUSA-N 2 2 341.463 1.770 20 0 EDADLP Cc1nc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc(N(C)C)[nH+]1 ZINC000433773805 446597335 /nfs/dbraw/zinc/59/73/35/446597335.db2.gz IPJREIWEWCMSRX-HOTGVXAUSA-N 2 2 341.463 1.770 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000420422485 446597425 /nfs/dbraw/zinc/59/74/25/446597425.db2.gz ZNJCVBQWZBEYEC-UONOGXRCSA-N 2 2 339.867 1.752 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000420422485 446597429 /nfs/dbraw/zinc/59/74/29/446597429.db2.gz ZNJCVBQWZBEYEC-UONOGXRCSA-N 2 2 339.867 1.752 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000420422480 446597569 /nfs/dbraw/zinc/59/75/69/446597569.db2.gz ZNJCVBQWZBEYEC-KBPBESRZSA-N 2 2 339.867 1.752 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000420422480 446597571 /nfs/dbraw/zinc/59/75/71/446597571.db2.gz ZNJCVBQWZBEYEC-KBPBESRZSA-N 2 2 339.867 1.752 20 0 EDADLP COC(=O)CN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411567567 446605503 /nfs/dbraw/zinc/60/55/03/446605503.db2.gz ZFEXDAFIEKFKDO-UHFFFAOYSA-N 2 2 345.487 1.963 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c(C)[nH+]1 ZINC000411571440 446607855 /nfs/dbraw/zinc/60/78/55/446607855.db2.gz PBZKREULEAATAZ-LBPRGKRZSA-N 2 2 344.459 1.888 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c(C)[nH+]1 ZINC000411571440 446607859 /nfs/dbraw/zinc/60/78/59/446607859.db2.gz PBZKREULEAATAZ-LBPRGKRZSA-N 2 2 344.459 1.888 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH2+]C)[C@H](C)C1 ZINC000418627075 446619995 /nfs/dbraw/zinc/61/99/95/446619995.db2.gz MRHNNJWRWFKFOS-JKSUJKDBSA-N 2 2 348.491 1.909 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@H](C)[NH2+]C)[C@H](C)C1 ZINC000418627075 446619999 /nfs/dbraw/zinc/61/99/99/446619999.db2.gz MRHNNJWRWFKFOS-JKSUJKDBSA-N 2 2 348.491 1.909 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000375226162 446655847 /nfs/dbraw/zinc/65/58/47/446655847.db2.gz NFCBCZKDCDSFDW-KRWDZBQOSA-N 2 2 332.448 1.548 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000375226162 446655848 /nfs/dbraw/zinc/65/58/48/446655848.db2.gz NFCBCZKDCDSFDW-KRWDZBQOSA-N 2 2 332.448 1.548 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1nnc2ccccn21 ZINC000368128779 446657251 /nfs/dbraw/zinc/65/72/51/446657251.db2.gz JUFYCKYGLIXIEW-OWCLPIDISA-N 2 2 329.448 1.708 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1nnc2ccccn21 ZINC000368128779 446657253 /nfs/dbraw/zinc/65/72/53/446657253.db2.gz JUFYCKYGLIXIEW-OWCLPIDISA-N 2 2 329.448 1.708 20 0 EDADLP CCCc1noc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000375236949 446662650 /nfs/dbraw/zinc/66/26/50/446662650.db2.gz KYLRCBXOBBBHNC-UHFFFAOYSA-N 2 2 335.496 1.872 20 0 EDADLP C[NH+](C)CCN(C(=O)NC[C@H]1CC[NH2+]CC1(F)F)C1CCCC1 ZINC000418750311 446670343 /nfs/dbraw/zinc/67/03/43/446670343.db2.gz DHPNLBDJUORMCT-CYBMUJFWSA-N 2 2 332.439 1.747 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[C@H]2CC[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000423756919 446687267 /nfs/dbraw/zinc/68/72/67/446687267.db2.gz LPTRIAGDUUTARX-CABCVRRESA-N 2 2 337.489 1.546 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)[NH+]2CCOCC2)s1 ZINC000423761518 446690687 /nfs/dbraw/zinc/69/06/87/446690687.db2.gz RHFNYXKNNYZLKW-KKUMJFAQSA-N 2 2 337.489 1.673 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423822467 446712220 /nfs/dbraw/zinc/71/22/20/446712220.db2.gz IRGFTJKVZGFVRG-PVUWLOKVSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423822467 446712224 /nfs/dbraw/zinc/71/22/24/446712224.db2.gz IRGFTJKVZGFVRG-PVUWLOKVSA-N 2 2 339.386 1.205 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423826158 446715547 /nfs/dbraw/zinc/71/55/47/446715547.db2.gz MGXBXICHAMXZIT-XJKSGUPXSA-N 2 2 329.366 1.965 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)CC[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423826158 446715550 /nfs/dbraw/zinc/71/55/50/446715550.db2.gz MGXBXICHAMXZIT-XJKSGUPXSA-N 2 2 329.366 1.965 20 0 EDADLP Cc1cc(NCC2(O)CCN(c3cc(C)[nH+]c(C)n3)CC2)nc(C)[nH+]1 ZINC000420653093 446723830 /nfs/dbraw/zinc/72/38/30/446723830.db2.gz NONYDMSJZGOESY-UHFFFAOYSA-N 2 2 342.447 1.944 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H](O)c3cccc(F)c3)C2)CC1 ZINC000376804195 446729310 /nfs/dbraw/zinc/72/93/10/446729310.db2.gz KPXMHCGVLABIRK-AEFFLSMTSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H](O)c3cccc(F)c3)C2)CC1 ZINC000376804195 446729315 /nfs/dbraw/zinc/72/93/15/446729315.db2.gz KPXMHCGVLABIRK-AEFFLSMTSA-N 2 2 349.450 1.534 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)COC2C[NH2+]C2)[C@@H](C)C1 ZINC000423862077 446733033 /nfs/dbraw/zinc/73/30/33/446733033.db2.gz RKHJLOYMMLDKBC-HNNXBMFYSA-N 2 2 347.459 1.106 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)COC2C[NH2+]C2)[C@@H](C)C1 ZINC000423862077 446733040 /nfs/dbraw/zinc/73/30/40/446733040.db2.gz RKHJLOYMMLDKBC-HNNXBMFYSA-N 2 2 347.459 1.106 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000418759277 446679220 /nfs/dbraw/zinc/67/92/20/446679220.db2.gz DKQFUAFMSKRDDJ-HOTGVXAUSA-N 2 2 333.480 1.916 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)cn1 ZINC000423753331 446684395 /nfs/dbraw/zinc/68/43/95/446684395.db2.gz GXUHPUHQQSUBSO-KSZLIROESA-N 2 2 345.491 1.375 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)cn1 ZINC000423753331 446684400 /nfs/dbraw/zinc/68/44/00/446684400.db2.gz GXUHPUHQQSUBSO-KSZLIROESA-N 2 2 345.491 1.375 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371287219 446745345 /nfs/dbraw/zinc/74/53/45/446745345.db2.gz MHIGXRACODTZRN-IPMKNSEASA-N 2 2 345.487 1.529 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371287219 446745351 /nfs/dbraw/zinc/74/53/51/446745351.db2.gz MHIGXRACODTZRN-IPMKNSEASA-N 2 2 345.487 1.529 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423900035 446752286 /nfs/dbraw/zinc/75/22/86/446752286.db2.gz RCHZSGQVHUPFQF-KGLIPLIRSA-N 2 2 327.469 1.106 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423900035 446752290 /nfs/dbraw/zinc/75/22/90/446752290.db2.gz RCHZSGQVHUPFQF-KGLIPLIRSA-N 2 2 327.469 1.106 20 0 EDADLP Cc1cccc(CNC(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371295346 446752537 /nfs/dbraw/zinc/75/25/37/446752537.db2.gz QTNIPOBEJDTCGU-CEXWTWQISA-N 2 2 345.487 1.795 20 0 EDADLP Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371295346 446752544 /nfs/dbraw/zinc/75/25/44/446752544.db2.gz QTNIPOBEJDTCGU-CEXWTWQISA-N 2 2 345.487 1.795 20 0 EDADLP [NH3+][C@H](CC(F)F)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000423910254 446759567 /nfs/dbraw/zinc/75/95/67/446759567.db2.gz FMORHNAAWOHZME-CYBMUJFWSA-N 2 2 331.794 1.797 20 0 EDADLP [NH3+][C@H](CC(F)F)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000423910254 446759570 /nfs/dbraw/zinc/75/95/70/446759570.db2.gz FMORHNAAWOHZME-CYBMUJFWSA-N 2 2 331.794 1.797 20 0 EDADLP CC[N@H+](CCO)CCN[C@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000376882250 446774836 /nfs/dbraw/zinc/77/48/36/446774836.db2.gz PSAOMTJJMFLIOC-MJGOQNOKSA-N 2 2 335.492 1.180 20 0 EDADLP CC[N@@H+](CCO)CCN[C@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000376882250 446774841 /nfs/dbraw/zinc/77/48/41/446774841.db2.gz PSAOMTJJMFLIOC-MJGOQNOKSA-N 2 2 335.492 1.180 20 0 EDADLP CC[NH+](CCO)CCN[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000376882250 446774850 /nfs/dbraw/zinc/77/48/50/446774850.db2.gz PSAOMTJJMFLIOC-MJGOQNOKSA-N 2 2 335.492 1.180 20 0 EDADLP CC[NH+](CCO)CCN[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000376882250 446774858 /nfs/dbraw/zinc/77/48/58/446774858.db2.gz PSAOMTJJMFLIOC-MJGOQNOKSA-N 2 2 335.492 1.180 20 0 EDADLP OC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000411990336 446775651 /nfs/dbraw/zinc/77/56/51/446775651.db2.gz RDAHEIMCWSUXHX-UYAOXDASSA-N 2 2 347.503 1.576 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@]3(C2)CCCOC3)CC1 ZINC000376917802 446796525 /nfs/dbraw/zinc/79/65/25/446796525.db2.gz MBNRUGRKTUJWOK-SFHVURJKSA-N 2 2 338.496 1.225 20 0 EDADLP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000371373937 446814478 /nfs/dbraw/zinc/81/44/78/446814478.db2.gz OTNWRBHYHTWBRK-UHFFFAOYSA-N 2 2 338.477 1.516 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000424001808 446817222 /nfs/dbraw/zinc/81/72/22/446817222.db2.gz RWMMBEQJJMAQJQ-IIDMSEBBSA-N 2 2 331.464 1.417 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000424001808 446817227 /nfs/dbraw/zinc/81/72/27/446817227.db2.gz RWMMBEQJJMAQJQ-IIDMSEBBSA-N 2 2 331.464 1.417 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000424002293 446817834 /nfs/dbraw/zinc/81/78/34/446817834.db2.gz SKUASXAXOGKFHH-XHSDSOJGSA-N 2 2 331.464 1.417 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000424002293 446817839 /nfs/dbraw/zinc/81/78/39/446817839.db2.gz SKUASXAXOGKFHH-XHSDSOJGSA-N 2 2 331.464 1.417 20 0 EDADLP CN(C)c1nc(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000418949629 446821241 /nfs/dbraw/zinc/82/12/41/446821241.db2.gz VIOOMKQFTJRLCQ-UHFFFAOYSA-N 2 2 349.479 1.785 20 0 EDADLP CN(C)c1nc(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000418949629 446821248 /nfs/dbraw/zinc/82/12/48/446821248.db2.gz VIOOMKQFTJRLCQ-UHFFFAOYSA-N 2 2 349.479 1.785 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000375480526 446834054 /nfs/dbraw/zinc/83/40/54/446834054.db2.gz HHVBZUUGAZKYBN-JKSUJKDBSA-N 2 2 349.479 1.764 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000375480526 446834059 /nfs/dbraw/zinc/83/40/59/446834059.db2.gz HHVBZUUGAZKYBN-JKSUJKDBSA-N 2 2 349.479 1.764 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cccc4[nH+]ccn43)CC2)C1 ZINC000375450959 446808752 /nfs/dbraw/zinc/80/87/52/446808752.db2.gz IHQOQRAHJBNHIN-OAHLLOKOSA-N 2 2 348.472 1.075 20 0 EDADLP CCn1cnc2c1ncnc2N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371461533 446872221 /nfs/dbraw/zinc/87/22/21/446872221.db2.gz YOBCKQCELQYZGF-CQSZACIVSA-N 2 2 343.479 1.451 20 0 EDADLP CCn1cnc2c1ncnc2N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371461533 446872224 /nfs/dbraw/zinc/87/22/24/446872224.db2.gz YOBCKQCELQYZGF-CQSZACIVSA-N 2 2 343.479 1.451 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNc2cccc(-n3cc[nH+]c3C)n2)CC1 ZINC000377032632 446873350 /nfs/dbraw/zinc/87/33/50/446873350.db2.gz UYJBDCYGDYPDOL-MRXNPFEDSA-N 2 2 342.491 2.261 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNc2cccc(-n3cc[nH+]c3C)n2)CC1 ZINC000377032632 446873358 /nfs/dbraw/zinc/87/33/58/446873358.db2.gz UYJBDCYGDYPDOL-MRXNPFEDSA-N 2 2 342.491 2.261 20 0 EDADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420925895 446895299 /nfs/dbraw/zinc/89/52/99/446895299.db2.gz WYYFUGSKNCGTQG-IBGZPJMESA-N 2 2 345.487 1.865 20 0 EDADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420925895 446895305 /nfs/dbraw/zinc/89/53/05/446895305.db2.gz WYYFUGSKNCGTQG-IBGZPJMESA-N 2 2 345.487 1.865 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000368508547 446908266 /nfs/dbraw/zinc/90/82/66/446908266.db2.gz TUGAKCKMPJQYMP-OAHLLOKOSA-N 2 2 346.475 1.469 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000368508547 446908268 /nfs/dbraw/zinc/90/82/68/446908268.db2.gz TUGAKCKMPJQYMP-OAHLLOKOSA-N 2 2 346.475 1.469 20 0 EDADLP COC(=O)c1ccc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000368508547 446908275 /nfs/dbraw/zinc/90/82/75/446908275.db2.gz TUGAKCKMPJQYMP-OAHLLOKOSA-N 2 2 346.475 1.469 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](CO)C[C@H](C)C3)c2cc1C ZINC000420953849 446926118 /nfs/dbraw/zinc/92/61/18/446926118.db2.gz YWVXRLDOSMEQQM-IAOVAPTHSA-N 2 2 331.460 1.964 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](CO)C[C@H](C)C3)c2cc1C ZINC000420953849 446926121 /nfs/dbraw/zinc/92/61/21/446926121.db2.gz YWVXRLDOSMEQQM-IAOVAPTHSA-N 2 2 331.460 1.964 20 0 EDADLP CSCCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375645710 446947878 /nfs/dbraw/zinc/94/78/78/446947878.db2.gz VJYKVZUBTMSRGR-UHFFFAOYSA-N 2 2 342.553 1.940 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757037 446954217 /nfs/dbraw/zinc/95/42/17/446954217.db2.gz FXCVMSGFNRVHIL-KJFZJZGVSA-N 2 2 329.444 1.841 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757037 446954221 /nfs/dbraw/zinc/95/42/21/446954221.db2.gz FXCVMSGFNRVHIL-KJFZJZGVSA-N 2 2 329.444 1.841 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454731045 446956277 /nfs/dbraw/zinc/95/62/77/446956277.db2.gz UTTHDHMUJSKYRY-CQSZACIVSA-N 2 2 343.431 1.617 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454731045 446956287 /nfs/dbraw/zinc/95/62/87/446956287.db2.gz UTTHDHMUJSKYRY-CQSZACIVSA-N 2 2 343.431 1.617 20 0 EDADLP C[C@H]1CN(Cc2ccc(C(=O)N(C)C)[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368581132 446957233 /nfs/dbraw/zinc/95/72/33/446957233.db2.gz ANMSAWRMCHTTMK-HNNXBMFYSA-N 2 2 347.507 1.317 20 0 EDADLP C[C@H]1CN(Cc2ccc(C(=O)N(C)C)[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368581132 446957236 /nfs/dbraw/zinc/95/72/36/446957236.db2.gz ANMSAWRMCHTTMK-HNNXBMFYSA-N 2 2 347.507 1.317 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n(-c2ccc(F)cc2)n1 ZINC000442766802 446959771 /nfs/dbraw/zinc/95/97/71/446959771.db2.gz PBTVFTDGFZCFER-UONOGXRCSA-N 2 2 345.422 1.927 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n(-c2ccc(F)cc2)n1 ZINC000442766802 446959781 /nfs/dbraw/zinc/95/97/81/446959781.db2.gz PBTVFTDGFZCFER-UONOGXRCSA-N 2 2 345.422 1.927 20 0 EDADLP CCCCNC(=O)[C@@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986091 446962963 /nfs/dbraw/zinc/96/29/63/446962963.db2.gz XSEFUVPCNSIRDE-QGZVFWFLSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCNC(=O)[C@@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986091 446962968 /nfs/dbraw/zinc/96/29/68/446962968.db2.gz XSEFUVPCNSIRDE-QGZVFWFLSA-N 2 2 338.540 1.783 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C[C@H]1C ZINC000371810512 446965380 /nfs/dbraw/zinc/96/53/80/446965380.db2.gz ODCHGCRBWNDKLT-GQIGUUNPSA-N 2 2 345.487 1.303 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C[C@H]1C ZINC000371810512 446965387 /nfs/dbraw/zinc/96/53/87/446965387.db2.gz ODCHGCRBWNDKLT-GQIGUUNPSA-N 2 2 345.487 1.303 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000442789635 446969263 /nfs/dbraw/zinc/96/92/63/446969263.db2.gz KABGZQHRVQKGOB-WBVHZDCISA-N 3 2 346.475 1.126 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000442789635 446969268 /nfs/dbraw/zinc/96/92/68/446969268.db2.gz KABGZQHRVQKGOB-WBVHZDCISA-N 3 2 346.475 1.126 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000442789635 446969275 /nfs/dbraw/zinc/96/92/75/446969275.db2.gz KABGZQHRVQKGOB-WBVHZDCISA-N 2 2 346.475 1.126 20 0 EDADLP CC[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)c1[nH]cc[nH+]1 ZINC000442805552 446973972 /nfs/dbraw/zinc/97/39/72/446973972.db2.gz AGOWWHJPBSAVBP-ILXRZTDVSA-N 2 2 347.463 1.310 20 0 EDADLP CC[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)c1[nH]cc[nH+]1 ZINC000442805552 446973979 /nfs/dbraw/zinc/97/39/79/446973979.db2.gz AGOWWHJPBSAVBP-ILXRZTDVSA-N 2 2 347.463 1.310 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000413024734 446987026 /nfs/dbraw/zinc/98/70/26/446987026.db2.gz FLGLYKCMQKWLGB-ZBFHGGJFSA-N 2 2 329.448 1.854 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)CC[C@@H]2C)CC1 ZINC000421021798 446993792 /nfs/dbraw/zinc/99/37/92/446993792.db2.gz PZMIYORMAUMSRL-HKUYNNGSSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC[C@@H]2C)CC1 ZINC000421021798 446993793 /nfs/dbraw/zinc/99/37/93/446993793.db2.gz PZMIYORMAUMSRL-HKUYNNGSSA-N 2 2 345.487 1.484 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3nnnn3C3CC3)CC2)CC1 ZINC000377276205 447034731 /nfs/dbraw/zinc/03/47/31/447034731.db2.gz DKQCOIFODHNWPP-HNNXBMFYSA-N 2 2 347.511 1.559 20 0 EDADLP Cc1cccc(N2CC[NH+](CCC(=O)NCc3c[nH+]c[nH]3)CC2)c1 ZINC000443394869 447047514 /nfs/dbraw/zinc/04/75/14/447047514.db2.gz ZPVDMCIRCGPCJB-UHFFFAOYSA-N 2 2 327.432 1.547 20 0 EDADLP Cc1cccc(N2CC[NH+](CCC(=O)NCc3c[nH]c[nH+]3)CC2)c1 ZINC000443394869 447047518 /nfs/dbraw/zinc/04/75/18/447047518.db2.gz ZPVDMCIRCGPCJB-UHFFFAOYSA-N 2 2 327.432 1.547 20 0 EDADLP C[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)C1=CC[N@H+](C)CC1 ZINC000368699919 447049599 /nfs/dbraw/zinc/04/95/99/447049599.db2.gz KSWBWZCNVCCNAS-INIZCTEOSA-N 2 2 343.475 1.954 20 0 EDADLP C[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000368699919 447049607 /nfs/dbraw/zinc/04/96/07/447049607.db2.gz KSWBWZCNVCCNAS-INIZCTEOSA-N 2 2 343.475 1.954 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C1 ZINC000413190337 447057808 /nfs/dbraw/zinc/05/78/08/447057808.db2.gz ZYQZKNQWLIRFSS-HUUCEWRRSA-N 2 2 337.468 1.206 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)C1 ZINC000413190337 447057814 /nfs/dbraw/zinc/05/78/14/447057814.db2.gz ZYQZKNQWLIRFSS-HUUCEWRRSA-N 2 2 337.468 1.206 20 0 EDADLP COc1cc2[nH+]c(N3C[C@@H](C)[N@H+](C)C[C@H]3C)nc(N)c2cc1OC ZINC000443525619 447059285 /nfs/dbraw/zinc/05/92/85/447059285.db2.gz ZPXVRSCCOVBWQB-GHMZBOCLSA-N 2 2 331.420 1.758 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375800478 447062036 /nfs/dbraw/zinc/06/20/36/447062036.db2.gz AVOKDLAXXRURMA-MRXNPFEDSA-N 2 2 336.436 1.515 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1COC(=O)N1CCOCC1 ZINC000375800478 447062038 /nfs/dbraw/zinc/06/20/38/447062038.db2.gz AVOKDLAXXRURMA-MRXNPFEDSA-N 2 2 336.436 1.515 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cc(C)[nH+]1 ZINC000421207545 447065853 /nfs/dbraw/zinc/06/58/53/447065853.db2.gz WUBHVUUOLIHBNS-UHFFFAOYSA-N 2 2 346.475 1.551 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000377324315 447066155 /nfs/dbraw/zinc/06/61/55/447066155.db2.gz PLNNKOXLSCHXPQ-MRXNPFEDSA-N 2 2 347.463 1.377 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000377391588 447107752 /nfs/dbraw/zinc/10/77/52/447107752.db2.gz MHLXFACMUULROB-IRXDYDNUSA-N 2 2 334.464 1.117 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000377391588 447107759 /nfs/dbraw/zinc/10/77/59/447107759.db2.gz MHLXFACMUULROB-IRXDYDNUSA-N 2 2 334.464 1.117 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC(=O)NCC2CC2)[C@@H]1c1cnn(C)c1 ZINC000372531001 447113928 /nfs/dbraw/zinc/11/39/28/447113928.db2.gz JHHBZRKRUYVPTM-QFBILLFUSA-N 2 2 347.507 1.651 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC(=O)NCC2CC2)[C@@H]1c1cnn(C)c1 ZINC000372531001 447113936 /nfs/dbraw/zinc/11/39/36/447113936.db2.gz JHHBZRKRUYVPTM-QFBILLFUSA-N 2 2 347.507 1.651 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(=O)NCC2CC2)[C@@H]1c1cnn(C)c1 ZINC000372531001 447113953 /nfs/dbraw/zinc/11/39/53/447113953.db2.gz JHHBZRKRUYVPTM-QFBILLFUSA-N 2 2 347.507 1.651 20 0 EDADLP CN(C(=O)NC(C1CC1)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372487423 447082752 /nfs/dbraw/zinc/08/27/52/447082752.db2.gz PDKOHYAZZSWPFD-QGZVFWFLSA-N 2 2 334.508 1.985 20 0 EDADLP CN(C(=O)NC(C1CC1)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372487423 447082761 /nfs/dbraw/zinc/08/27/61/447082761.db2.gz PDKOHYAZZSWPFD-QGZVFWFLSA-N 2 2 334.508 1.985 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)nc[nH+]1 ZINC000413258355 447099171 /nfs/dbraw/zinc/09/91/71/447099171.db2.gz AAOUGGJIGQBZHA-GOEBONIOSA-N 2 2 333.480 2.478 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)nc[nH+]1 ZINC000413258355 447099178 /nfs/dbraw/zinc/09/91/78/447099178.db2.gz AAOUGGJIGQBZHA-GOEBONIOSA-N 2 2 333.480 2.478 20 0 EDADLP COCCCC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419387331 447144606 /nfs/dbraw/zinc/14/46/06/447144606.db2.gz QRGJVQNCMPNZRC-UHFFFAOYSA-N 2 2 334.464 1.479 20 0 EDADLP COCCCC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419387331 447144612 /nfs/dbraw/zinc/14/46/12/447144612.db2.gz QRGJVQNCMPNZRC-UHFFFAOYSA-N 2 2 334.464 1.479 20 0 EDADLP C[N@@H+]([C@@H]1CCN(C(C)(C)C)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000425400370 447145081 /nfs/dbraw/zinc/14/50/81/447145081.db2.gz XLZUCBWRWNXZSW-QGZVFWFLSA-N 2 2 347.507 1.679 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413349170 447157103 /nfs/dbraw/zinc/15/71/03/447157103.db2.gz FUUAZLLZNBNBKA-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1c(Cl)c(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)nn1C ZINC000421322991 447130684 /nfs/dbraw/zinc/13/06/84/447130684.db2.gz HMZDLABVHDTDQH-UHFFFAOYSA-N 2 2 327.904 1.745 20 0 EDADLP Cc1c(Cl)c(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)nn1C ZINC000421322991 447130695 /nfs/dbraw/zinc/13/06/95/447130695.db2.gz HMZDLABVHDTDQH-UHFFFAOYSA-N 2 2 327.904 1.745 20 0 EDADLP CCN1CCN(C(=O)NCCCC[N@H+](C)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000455599637 447179653 /nfs/dbraw/zinc/17/96/53/447179653.db2.gz AENUTZVIPURJCG-INIZCTEOSA-N 2 2 348.495 1.672 20 0 EDADLP CCN1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000455599637 447179656 /nfs/dbraw/zinc/17/96/56/447179656.db2.gz AENUTZVIPURJCG-INIZCTEOSA-N 2 2 348.495 1.672 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000377564306 447208653 /nfs/dbraw/zinc/20/86/53/447208653.db2.gz NFRKCLLOMXCRNT-CZUORRHYSA-N 2 2 333.480 1.069 20 0 EDADLP COC(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377621880 447250860 /nfs/dbraw/zinc/25/08/60/447250860.db2.gz GMAIWQNYYXOMEM-INIZCTEOSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377621880 447250868 /nfs/dbraw/zinc/25/08/68/447250868.db2.gz GMAIWQNYYXOMEM-INIZCTEOSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377621880 447250873 /nfs/dbraw/zinc/25/08/73/447250873.db2.gz GMAIWQNYYXOMEM-INIZCTEOSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377621880 447250877 /nfs/dbraw/zinc/25/08/77/447250877.db2.gz GMAIWQNYYXOMEM-INIZCTEOSA-N 2 2 334.464 1.402 20 0 EDADLP COc1cccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000369050620 447289547 /nfs/dbraw/zinc/28/95/47/447289547.db2.gz JJDHCGYCLVEUID-VQIMIIECSA-N 2 2 333.476 1.532 20 0 EDADLP COc1cccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000369050620 447289551 /nfs/dbraw/zinc/28/95/51/447289551.db2.gz JJDHCGYCLVEUID-VQIMIIECSA-N 2 2 333.476 1.532 20 0 EDADLP COc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000369050620 447289558 /nfs/dbraw/zinc/28/95/58/447289558.db2.gz JJDHCGYCLVEUID-VQIMIIECSA-N 2 2 333.476 1.532 20 0 EDADLP COc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000369050620 447289561 /nfs/dbraw/zinc/28/95/61/447289561.db2.gz JJDHCGYCLVEUID-VQIMIIECSA-N 2 2 333.476 1.532 20 0 EDADLP CCOc1ccc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000369051172 447290234 /nfs/dbraw/zinc/29/02/34/447290234.db2.gz RHIWVHZNFQKCGB-LJQANCHMSA-N 2 2 333.476 1.534 20 0 EDADLP CCOc1ccc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000369051172 447290240 /nfs/dbraw/zinc/29/02/40/447290240.db2.gz RHIWVHZNFQKCGB-LJQANCHMSA-N 2 2 333.476 1.534 20 0 EDADLP CCCCOC(=O)CC[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000369050296 447290463 /nfs/dbraw/zinc/29/04/63/447290463.db2.gz DZDHCVSQXZGMHO-DLBZAZTESA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000369050296 447290465 /nfs/dbraw/zinc/29/04/65/447290465.db2.gz DZDHCVSQXZGMHO-DLBZAZTESA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000369050296 447290468 /nfs/dbraw/zinc/29/04/68/447290468.db2.gz DZDHCVSQXZGMHO-DLBZAZTESA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000369050296 447290475 /nfs/dbraw/zinc/29/04/75/447290475.db2.gz DZDHCVSQXZGMHO-DLBZAZTESA-N 2 2 341.496 1.057 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000377637387 447262562 /nfs/dbraw/zinc/26/25/62/447262562.db2.gz QVFXPCFMRGEVSO-KRWDZBQOSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000377637387 447262565 /nfs/dbraw/zinc/26/25/65/447262565.db2.gz QVFXPCFMRGEVSO-KRWDZBQOSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000377645136 447268310 /nfs/dbraw/zinc/26/83/10/447268310.db2.gz KDXZZGZEWSUBOX-UHFFFAOYSA-N 2 2 333.432 1.482 20 0 EDADLP CC(C)(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)OCC1CC1 ZINC000414249886 447281661 /nfs/dbraw/zinc/28/16/61/447281661.db2.gz AWMYRGPWEUNEOO-UHFFFAOYSA-N 2 2 339.524 1.578 20 0 EDADLP CC(C)(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)OCC1CC1 ZINC000414249886 447281665 /nfs/dbraw/zinc/28/16/65/447281665.db2.gz AWMYRGPWEUNEOO-UHFFFAOYSA-N 2 2 339.524 1.578 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000494627867 447451303 /nfs/dbraw/zinc/45/13/03/447451303.db2.gz DOLNHXBAKJDYJV-OAHLLOKOSA-N 2 2 327.432 1.405 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000458817891 447482657 /nfs/dbraw/zinc/48/26/57/447482657.db2.gz XOTNGMFBSHMATC-OAHLLOKOSA-N 2 2 336.436 1.342 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457120681 447525978 /nfs/dbraw/zinc/52/59/78/447525978.db2.gz LKABWAFJRWYKOE-CQSZACIVSA-N 2 2 330.432 1.124 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457120681 447525981 /nfs/dbraw/zinc/52/59/81/447525981.db2.gz LKABWAFJRWYKOE-CQSZACIVSA-N 2 2 330.432 1.124 20 0 EDADLP CO[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000458846972 447489273 /nfs/dbraw/zinc/48/92/73/447489273.db2.gz FIBDVGCQNQLWIU-MRXNPFEDSA-N 2 2 326.485 1.079 20 0 EDADLP CO[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000458846972 447489278 /nfs/dbraw/zinc/48/92/78/447489278.db2.gz FIBDVGCQNQLWIU-MRXNPFEDSA-N 2 2 326.485 1.079 20 0 EDADLP [NH3+][C@@H](CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000419931424 447498181 /nfs/dbraw/zinc/49/81/81/447498181.db2.gz PGHCWJMIMOTIBK-GJZGRUSLSA-N 2 2 341.415 1.280 20 0 EDADLP C[C@H](C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)S(C)(=O)=O ZINC000450472371 447500266 /nfs/dbraw/zinc/50/02/66/447500266.db2.gz FJJBVSQBAYTOLC-BZUAXINKSA-N 2 2 346.537 1.631 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCOC1(C)C ZINC000458960545 447517447 /nfs/dbraw/zinc/51/74/47/447517447.db2.gz VVFPIJVOQAMHHK-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCOC1(C)C ZINC000458960545 447517452 /nfs/dbraw/zinc/51/74/52/447517452.db2.gz VVFPIJVOQAMHHK-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415479976 447469970 /nfs/dbraw/zinc/46/99/70/447469970.db2.gz IRXJJKJYHKKLJO-CQSZACIVSA-N 2 2 340.383 1.762 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccco1 ZINC000457440774 447582159 /nfs/dbraw/zinc/58/21/59/447582159.db2.gz LKKJGSIUZWXRKN-ZNMIVQPWSA-N 2 2 336.436 1.045 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccco1 ZINC000457440774 447582165 /nfs/dbraw/zinc/58/21/65/447582165.db2.gz LKKJGSIUZWXRKN-ZNMIVQPWSA-N 2 2 336.436 1.045 20 0 EDADLP O=C(Cn1cc[nH+]c1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397510388 447550748 /nfs/dbraw/zinc/55/07/48/447550748.db2.gz LJBTWKQEDGPUBP-UHFFFAOYSA-N 2 2 328.416 1.026 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398054308 447555083 /nfs/dbraw/zinc/55/50/83/447555083.db2.gz UVJOQNOEWMUTBI-JQHSSLGASA-N 2 2 334.460 1.943 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398054308 447555086 /nfs/dbraw/zinc/55/50/86/447555086.db2.gz UVJOQNOEWMUTBI-JQHSSLGASA-N 2 2 334.460 1.943 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC000427278735 447573316 /nfs/dbraw/zinc/57/33/16/447573316.db2.gz CMQAOTDRMPRIIN-OAHLLOKOSA-N 2 2 336.505 1.876 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000420144236 447633138 /nfs/dbraw/zinc/63/31/38/447633138.db2.gz KYBGPZNQOLZRJU-GJZGRUSLSA-N 2 2 349.479 1.590 20 0 EDADLP COc1ccc([C@@H](NC(=O)NC[C@H](C)C[NH3+])c2[nH+]ccn2C)cc1 ZINC000416907702 447705192 /nfs/dbraw/zinc/70/51/92/447705192.db2.gz NBDJAZBKBVWIRC-IUODEOHRSA-N 2 2 331.420 1.412 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc(C)[nH+]1 ZINC000422588118 447656997 /nfs/dbraw/zinc/65/69/97/447656997.db2.gz JPAVTRMASCEHEA-UHFFFAOYSA-N 2 2 332.448 1.259 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000416920268 447709699 /nfs/dbraw/zinc/70/96/99/447709699.db2.gz TUXXQDVTKJCWCG-DOMZBBRYSA-N 2 2 331.395 1.700 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(OC)c1 ZINC000422634870 447681851 /nfs/dbraw/zinc/68/18/51/447681851.db2.gz KLNIRTFHXWRFOW-MCIONIFRSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(OC)c1 ZINC000422634870 447681858 /nfs/dbraw/zinc/68/18/58/447681858.db2.gz KLNIRTFHXWRFOW-MCIONIFRSA-N 2 2 335.448 1.948 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@H]3CCC[N@@H+]3CCCO)[nH+]c2c1 ZINC000457952297 447683538 /nfs/dbraw/zinc/68/35/38/447683538.db2.gz QNRFRFKZXFIIPV-MRXNPFEDSA-N 2 2 345.447 1.289 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@H]3CCC[N@H+]3CCCO)[nH+]c2c1 ZINC000457952297 447683545 /nfs/dbraw/zinc/68/35/45/447683545.db2.gz QNRFRFKZXFIIPV-MRXNPFEDSA-N 2 2 345.447 1.289 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416812020 447689876 /nfs/dbraw/zinc/68/98/76/447689876.db2.gz LIYOTACZOVBUFN-NVXWUHKLSA-N 2 2 334.464 1.185 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416812020 447689880 /nfs/dbraw/zinc/68/98/80/447689880.db2.gz LIYOTACZOVBUFN-NVXWUHKLSA-N 2 2 334.464 1.185 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000416936682 447715891 /nfs/dbraw/zinc/71/58/91/447715891.db2.gz IBTMTIOXWOLTGZ-GDBMZVCRSA-N 2 2 331.464 1.999 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@@H]1CCC[NH2+]1 ZINC000422732007 447732059 /nfs/dbraw/zinc/73/20/59/447732059.db2.gz NAHUVKKLMFTVDQ-YOEHRIQHSA-N 2 2 327.432 1.752 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422741350 447735228 /nfs/dbraw/zinc/73/52/28/447735228.db2.gz PQDWXCMJJKQOJM-YOEHRIQHSA-N 2 2 339.505 1.994 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000459670815 447736339 /nfs/dbraw/zinc/73/63/39/447736339.db2.gz VZIPFAQMEWQARV-CYBMUJFWSA-N 2 2 344.415 1.756 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417268239 447740487 /nfs/dbraw/zinc/74/04/87/447740487.db2.gz JGGONBBOKRXXDF-OCCSQVGLSA-N 2 2 331.395 1.938 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)N2CCOCC2)cc1 ZINC000422756549 447740592 /nfs/dbraw/zinc/74/05/92/447740592.db2.gz IZQNVIWCKWUAOV-MNEFBYGVSA-N 2 2 333.476 1.799 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422758035 447741890 /nfs/dbraw/zinc/74/18/90/447741890.db2.gz JZFXVBLLNXXFQU-IPYPFGDCSA-N 2 2 341.477 1.012 20 0 EDADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)N2CCOCC2)o1 ZINC000422796713 447752015 /nfs/dbraw/zinc/75/20/15/447752015.db2.gz KGVDPGNENZDNOA-UAGQMJEPSA-N 2 2 337.464 1.318 20 0 EDADLP C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000422804295 447755131 /nfs/dbraw/zinc/75/51/31/447755131.db2.gz HGTUEWBYABNZNN-AWEZNQCLSA-N 2 2 347.459 1.130 20 0 EDADLP C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000422804295 447755134 /nfs/dbraw/zinc/75/51/34/447755134.db2.gz HGTUEWBYABNZNN-AWEZNQCLSA-N 2 2 347.459 1.130 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1)[NH+](CC)CC ZINC000471757706 447812924 /nfs/dbraw/zinc/81/29/24/447812924.db2.gz RPTAUHNUCGDUNJ-HUUCEWRRSA-N 2 2 327.469 1.203 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496541546 447813469 /nfs/dbraw/zinc/81/34/69/447813469.db2.gz CIOQVUGZZFDHTD-SQWLQELKSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496541546 447813471 /nfs/dbraw/zinc/81/34/71/447813471.db2.gz CIOQVUGZZFDHTD-SQWLQELKSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000496541546 447813474 /nfs/dbraw/zinc/81/34/74/447813474.db2.gz CIOQVUGZZFDHTD-SQWLQELKSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496541546 447813475 /nfs/dbraw/zinc/81/34/75/447813475.db2.gz CIOQVUGZZFDHTD-SQWLQELKSA-N 2 2 341.496 1.677 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH2+]CC2)s1 ZINC000422935964 447776110 /nfs/dbraw/zinc/77/61/10/447776110.db2.gz LJQKAJNZKBKNLT-UHFFFAOYSA-N 2 2 331.507 1.620 20 0 EDADLP O=S(=O)(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000422939771 447777126 /nfs/dbraw/zinc/77/71/26/447777126.db2.gz RRVZKPARGYCVGQ-PBWFPOADSA-N 2 2 328.865 1.986 20 0 EDADLP C[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)CC(C)(C)C[NH3+] ZINC000430563522 447780046 /nfs/dbraw/zinc/78/00/46/447780046.db2.gz WOJNCTVRXBGXLB-UHFFFAOYSA-N 2 2 332.448 1.669 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)CC(C)(C)C[NH3+] ZINC000430563522 447780051 /nfs/dbraw/zinc/78/00/51/447780051.db2.gz WOJNCTVRXBGXLB-UHFFFAOYSA-N 2 2 332.448 1.669 20 0 EDADLP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000496438121 447782626 /nfs/dbraw/zinc/78/26/26/447782626.db2.gz UOFULGBCHCBCJK-HNNXBMFYSA-N 2 2 341.496 1.728 20 0 EDADLP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000496438121 447782630 /nfs/dbraw/zinc/78/26/30/447782630.db2.gz UOFULGBCHCBCJK-HNNXBMFYSA-N 2 2 341.496 1.728 20 0 EDADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000423046287 447796967 /nfs/dbraw/zinc/79/69/67/447796967.db2.gz TYIYAUISRFKAJE-HIFRSBDPSA-N 2 2 326.462 1.337 20 0 EDADLP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423108135 447806178 /nfs/dbraw/zinc/80/61/78/447806178.db2.gz SVXYVIYMQQVFGU-NWDGAFQWSA-N 2 2 335.832 1.227 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423115395 447808721 /nfs/dbraw/zinc/80/87/21/447808721.db2.gz NEYXRAFHNWLBNG-NEPJUHHUSA-N 2 2 335.832 1.227 20 0 EDADLP Cc1nc(NCC2([NH+]3CCOCC3)CCCCC2)nc(N(C)C)[nH+]1 ZINC000489467096 447858590 /nfs/dbraw/zinc/85/85/90/447858590.db2.gz CKSRJTWMPHYTRS-UHFFFAOYSA-N 2 2 334.468 1.693 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452380086 447819720 /nfs/dbraw/zinc/81/97/20/447819720.db2.gz RYGGQWIOEXJIRZ-INIZCTEOSA-N 2 2 344.459 1.698 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452380086 447819722 /nfs/dbraw/zinc/81/97/22/447819722.db2.gz RYGGQWIOEXJIRZ-INIZCTEOSA-N 2 2 344.459 1.698 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000569693913 447870205 /nfs/dbraw/zinc/87/02/05/447870205.db2.gz AVZQHEHZHDFUOD-LJQANCHMSA-N 2 2 331.460 1.525 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000569693913 447870210 /nfs/dbraw/zinc/87/02/10/447870210.db2.gz AVZQHEHZHDFUOD-LJQANCHMSA-N 2 2 331.460 1.525 20 0 EDADLP COc1cc2c(cc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)O[C@H](C)C2 ZINC000575741231 447885712 /nfs/dbraw/zinc/88/57/12/447885712.db2.gz TYLBDLPCLYITRN-QQGDVQBRSA-N 2 2 332.444 1.875 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523463111 447888080 /nfs/dbraw/zinc/88/80/80/447888080.db2.gz MNMKHOIARJXVQS-AWEZNQCLSA-N 2 2 343.427 1.966 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523463111 447888081 /nfs/dbraw/zinc/88/80/81/447888081.db2.gz MNMKHOIARJXVQS-AWEZNQCLSA-N 2 2 343.427 1.966 20 0 EDADLP CCCC[N@H+](CCOC)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496770844 447898373 /nfs/dbraw/zinc/89/83/73/447898373.db2.gz IXTSLMZBTLZWSR-QGZVFWFLSA-N 2 2 325.453 1.609 20 0 EDADLP CCCC[N@@H+](CCOC)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496770844 447898381 /nfs/dbraw/zinc/89/83/81/447898381.db2.gz IXTSLMZBTLZWSR-QGZVFWFLSA-N 2 2 325.453 1.609 20 0 EDADLP CN1C(=O)CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802162 447901055 /nfs/dbraw/zinc/90/10/55/447901055.db2.gz GXUHOQMIECBLIF-DLBZAZTESA-N 2 2 341.455 1.921 20 0 EDADLP CN1C(=O)CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802162 447901056 /nfs/dbraw/zinc/90/10/56/447901056.db2.gz GXUHOQMIECBLIF-DLBZAZTESA-N 2 2 341.455 1.921 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000576000237 447948065 /nfs/dbraw/zinc/94/80/65/447948065.db2.gz YNYMLETWIZTZOE-NVXWUHKLSA-N 2 2 338.448 1.342 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000576000237 447948071 /nfs/dbraw/zinc/94/80/71/447948071.db2.gz YNYMLETWIZTZOE-NVXWUHKLSA-N 2 2 338.448 1.342 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037964 447955624 /nfs/dbraw/zinc/95/56/24/447955624.db2.gz IZTGIHNVZFNOKR-WMZOPIPTSA-N 3 2 348.466 1.139 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037964 447955630 /nfs/dbraw/zinc/95/56/30/447955630.db2.gz IZTGIHNVZFNOKR-WMZOPIPTSA-N 3 2 348.466 1.139 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037964 447955636 /nfs/dbraw/zinc/95/56/36/447955636.db2.gz IZTGIHNVZFNOKR-WMZOPIPTSA-N 3 2 348.466 1.139 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037964 447955644 /nfs/dbraw/zinc/95/56/44/447955644.db2.gz IZTGIHNVZFNOKR-WMZOPIPTSA-N 3 2 348.466 1.139 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](Nc2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000530915096 447983523 /nfs/dbraw/zinc/98/35/23/447983523.db2.gz PAYBVGVWNUTWCA-KBPBESRZSA-N 2 2 329.448 1.163 20 0 EDADLP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000570322533 447985850 /nfs/dbraw/zinc/98/58/50/447985850.db2.gz JQPAIARCVOHXPZ-HLIPFELVSA-N 3 2 349.519 1.698 20 0 EDADLP CCn1c[nH+]cc1CN1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496896306 448014632 /nfs/dbraw/zinc/01/46/32/448014632.db2.gz XJBFQAGTRKJRNK-OAHLLOKOSA-N 2 2 337.468 1.544 20 0 EDADLP CCn1c[nH+]cc1CN1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496896306 448014635 /nfs/dbraw/zinc/01/46/35/448014635.db2.gz XJBFQAGTRKJRNK-OAHLLOKOSA-N 2 2 337.468 1.544 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000525684479 448010906 /nfs/dbraw/zinc/01/09/06/448010906.db2.gz RSVSRURCBISOIN-MHECFPHRSA-N 2 2 349.544 1.895 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000525684479 448010913 /nfs/dbraw/zinc/01/09/13/448010913.db2.gz RSVSRURCBISOIN-MHECFPHRSA-N 2 2 349.544 1.895 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000570579338 448032420 /nfs/dbraw/zinc/03/24/20/448032420.db2.gz KZAOQDRMYBEQIY-ZBFHGGJFSA-N 2 2 336.505 1.204 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000570579338 448032426 /nfs/dbraw/zinc/03/24/26/448032426.db2.gz KZAOQDRMYBEQIY-ZBFHGGJFSA-N 2 2 336.505 1.204 20 0 EDADLP Cn1cc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cn1 ZINC000525978275 448070623 /nfs/dbraw/zinc/07/06/23/448070623.db2.gz VUXSAWSNRRANDI-OAHLLOKOSA-N 2 2 326.448 1.795 20 0 EDADLP Cn1cc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)cn1 ZINC000525978275 448070629 /nfs/dbraw/zinc/07/06/29/448070629.db2.gz VUXSAWSNRRANDI-OAHLLOKOSA-N 2 2 326.448 1.795 20 0 EDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000571059475 448103616 /nfs/dbraw/zinc/10/36/16/448103616.db2.gz HJECUPRRCYWZGR-HOTGVXAUSA-N 3 2 339.528 1.171 20 0 EDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000571059475 448103620 /nfs/dbraw/zinc/10/36/20/448103620.db2.gz HJECUPRRCYWZGR-HOTGVXAUSA-N 3 2 339.528 1.171 20 0 EDADLP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000571059475 448103622 /nfs/dbraw/zinc/10/36/22/448103622.db2.gz HJECUPRRCYWZGR-HOTGVXAUSA-N 3 2 339.528 1.171 20 0 EDADLP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000571059475 448103626 /nfs/dbraw/zinc/10/36/26/448103626.db2.gz HJECUPRRCYWZGR-HOTGVXAUSA-N 3 2 339.528 1.171 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000491963746 448154958 /nfs/dbraw/zinc/15/49/58/448154958.db2.gz MZSDFLOTKMBCHB-LUNKNMTDSA-N 2 2 338.427 1.438 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000491963746 448154962 /nfs/dbraw/zinc/15/49/62/448154962.db2.gz MZSDFLOTKMBCHB-LUNKNMTDSA-N 2 2 338.427 1.438 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC000576880477 448161826 /nfs/dbraw/zinc/16/18/26/448161826.db2.gz USPICOAJIQMWAZ-IRXDYDNUSA-N 2 2 333.480 1.461 20 0 EDADLP C[NH+](C)C/C=C\C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000491884005 448144187 /nfs/dbraw/zinc/14/41/87/448144187.db2.gz MDFCCWXDWVKUKO-ARJAWSKDSA-N 2 2 345.443 1.220 20 0 EDADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CCOCC1 ZINC000531946617 448175442 /nfs/dbraw/zinc/17/54/42/448175442.db2.gz WJLWNMWKBOETLI-SFHVURJKSA-N 2 2 347.507 1.784 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000527238661 448191871 /nfs/dbraw/zinc/19/18/71/448191871.db2.gz UMJXONWDVXWPGB-FHERZECASA-N 2 2 331.464 1.936 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC000577011570 448192164 /nfs/dbraw/zinc/19/21/64/448192164.db2.gz YQCVVBKABKMHGO-CABCVRRESA-N 2 2 335.452 1.171 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCO1 ZINC000577011570 448192168 /nfs/dbraw/zinc/19/21/68/448192168.db2.gz YQCVVBKABKMHGO-CABCVRRESA-N 2 2 335.452 1.171 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000571747763 448196870 /nfs/dbraw/zinc/19/68/70/448196870.db2.gz SIRKXPRHYUXEGU-CABCVRRESA-N 2 2 334.464 1.458 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000571747763 448196878 /nfs/dbraw/zinc/19/68/78/448196878.db2.gz SIRKXPRHYUXEGU-CABCVRRESA-N 2 2 334.464 1.458 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CCC3(CC[NH2+]3)CC2)c[nH+]1 ZINC000514787690 448202887 /nfs/dbraw/zinc/20/28/87/448202887.db2.gz ZPMXYOZVQLLDQL-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000514794966 448204961 /nfs/dbraw/zinc/20/49/61/448204961.db2.gz FXNSZYJEDPDNLY-HOTGVXAUSA-N 2 2 328.416 1.379 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000514794966 448204965 /nfs/dbraw/zinc/20/49/65/448204965.db2.gz FXNSZYJEDPDNLY-HOTGVXAUSA-N 2 2 328.416 1.379 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)cc(=O)[nH]3)CC2)CC1 ZINC000571907678 448233169 /nfs/dbraw/zinc/23/31/69/448233169.db2.gz MVEKTSJIUQYJRJ-UHFFFAOYSA-N 2 2 346.475 1.728 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)cc(=O)[nH]3)CC2)CC1 ZINC000571907678 448233175 /nfs/dbraw/zinc/23/31/75/448233175.db2.gz MVEKTSJIUQYJRJ-UHFFFAOYSA-N 2 2 346.475 1.728 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000577121533 448214980 /nfs/dbraw/zinc/21/49/80/448214980.db2.gz FCLJTBMSYYHDJR-KBPBESRZSA-N 2 2 326.444 1.864 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000577121533 448214986 /nfs/dbraw/zinc/21/49/86/448214986.db2.gz FCLJTBMSYYHDJR-KBPBESRZSA-N 2 2 326.444 1.864 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000492493700 448224739 /nfs/dbraw/zinc/22/47/39/448224739.db2.gz OOAFHJXPLIGHEF-WAYWQWQTSA-N 2 2 329.404 1.890 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000577228774 448243477 /nfs/dbraw/zinc/24/34/77/448243477.db2.gz LJTDXPBJOJGRGD-KRWDZBQOSA-N 2 2 333.476 1.502 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000577228774 448243482 /nfs/dbraw/zinc/24/34/82/448243482.db2.gz LJTDXPBJOJGRGD-KRWDZBQOSA-N 2 2 333.476 1.502 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CCN2C1=O ZINC000515171125 448268734 /nfs/dbraw/zinc/26/87/34/448268734.db2.gz HHOWPFVYMXOQCQ-IUODEOHRSA-N 2 2 330.819 1.632 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CCN2C1=O ZINC000515171125 448268741 /nfs/dbraw/zinc/26/87/41/448268741.db2.gz HHOWPFVYMXOQCQ-IUODEOHRSA-N 2 2 330.819 1.632 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@H]1[NH2+]CCc2ccccc21 ZINC000572042803 448271558 /nfs/dbraw/zinc/27/15/58/448271558.db2.gz DHVMQCRVRABMPY-AWEZNQCLSA-N 2 2 338.333 1.949 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)O1 ZINC000527541299 448253682 /nfs/dbraw/zinc/25/36/82/448253682.db2.gz IKKOLYYEWJWMCJ-NVXWUHKLSA-N 2 2 342.443 1.309 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)O1 ZINC000527541299 448253685 /nfs/dbraw/zinc/25/36/85/448253685.db2.gz IKKOLYYEWJWMCJ-NVXWUHKLSA-N 2 2 342.443 1.309 20 0 EDADLP CN(C(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC([NH3+])C1 ZINC000515221444 448277605 /nfs/dbraw/zinc/27/76/05/448277605.db2.gz SLWLTZDVWUHHIV-UHFFFAOYSA-N 2 2 332.448 1.150 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083040 448256066 /nfs/dbraw/zinc/25/60/66/448256066.db2.gz ZBGDUTSOZHMJTO-GJZGRUSLSA-N 2 2 330.436 1.898 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083040 448256070 /nfs/dbraw/zinc/25/60/70/448256070.db2.gz ZBGDUTSOZHMJTO-GJZGRUSLSA-N 2 2 330.436 1.898 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n(C)c1C ZINC000572014971 448264816 /nfs/dbraw/zinc/26/48/16/448264816.db2.gz FICBLADEVRQBLV-MRXNPFEDSA-N 2 2 349.475 1.807 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n(C)c1C ZINC000572014971 448264819 /nfs/dbraw/zinc/26/48/19/448264819.db2.gz FICBLADEVRQBLV-MRXNPFEDSA-N 2 2 349.475 1.807 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000582713376 448317956 /nfs/dbraw/zinc/31/79/56/448317956.db2.gz FEHAEDINMAJUMS-QWHCGFSZSA-N 2 2 330.354 1.574 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000582713376 448317959 /nfs/dbraw/zinc/31/79/59/448317959.db2.gz FEHAEDINMAJUMS-QWHCGFSZSA-N 2 2 330.354 1.574 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000582719560 448320812 /nfs/dbraw/zinc/32/08/12/448320812.db2.gz IGBLIGYINLZTAF-XNRPHZJLSA-N 2 2 337.851 1.802 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C 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/nfs/dbraw/zinc/34/53/90/448345390.db2.gz JYZHAFGPDAVBEE-QRVBRYPASA-N 2 2 343.471 1.488 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577625478 448345395 /nfs/dbraw/zinc/34/53/95/448345395.db2.gz JYZHAFGPDAVBEE-QRVBRYPASA-N 2 2 343.471 1.488 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577625478 448345400 /nfs/dbraw/zinc/34/54/00/448345400.db2.gz JYZHAFGPDAVBEE-QRVBRYPASA-N 2 2 343.471 1.488 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577625478 448345405 /nfs/dbraw/zinc/34/54/05/448345405.db2.gz JYZHAFGPDAVBEE-QRVBRYPASA-N 2 2 343.471 1.488 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000582852734 448360624 /nfs/dbraw/zinc/36/06/24/448360624.db2.gz MFENKUQRYQIZGD-UHFFFAOYSA-N 2 2 327.375 1.119 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ncccn3)CC2)C[C@H](C)O1 ZINC000577572980 448327195 /nfs/dbraw/zinc/32/71/95/448327195.db2.gz XSTQBGPYZULUOU-IYBDPMFKSA-N 2 2 334.464 1.567 20 0 EDADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ncccn3)CC2)C[C@H](C)O1 ZINC000577572980 448327201 /nfs/dbraw/zinc/32/72/01/448327201.db2.gz XSTQBGPYZULUOU-IYBDPMFKSA-N 2 2 334.464 1.567 20 0 EDADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)CC)ccc2NC1=O ZINC000572254425 448328486 /nfs/dbraw/zinc/32/84/86/448328486.db2.gz NYBSIGRLBZMJFS-INWMFGNUSA-N 2 2 335.448 1.759 20 0 EDADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CC)ccc2NC1=O ZINC000572254425 448328490 /nfs/dbraw/zinc/32/84/90/448328490.db2.gz NYBSIGRLBZMJFS-INWMFGNUSA-N 2 2 335.448 1.759 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527662065 448332503 /nfs/dbraw/zinc/33/25/03/448332503.db2.gz OZNXTNJMKPYSKQ-INIZCTEOSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000591563291 448391461 /nfs/dbraw/zinc/39/14/61/448391461.db2.gz KTHDKYNWPZSYRW-CQSZACIVSA-N 2 2 330.432 1.229 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242044 448427961 /nfs/dbraw/zinc/42/79/61/448427961.db2.gz FEBJYXOYXIPVOG-FQEVSTJZSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242044 448427968 /nfs/dbraw/zinc/42/79/68/448427968.db2.gz FEBJYXOYXIPVOG-FQEVSTJZSA-N 2 2 345.487 1.874 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1OC ZINC000566411943 448463658 /nfs/dbraw/zinc/46/36/58/448463658.db2.gz OCQHIUXUURBENV-DZGCQCFKSA-N 2 2 335.448 1.474 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1OC ZINC000566411943 448463661 /nfs/dbraw/zinc/46/36/61/448463661.db2.gz OCQHIUXUURBENV-DZGCQCFKSA-N 2 2 335.448 1.474 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000516783385 448474473 /nfs/dbraw/zinc/47/44/73/448474473.db2.gz GROFNEMKFJFRBF-CJNGLKHVSA-N 2 2 346.431 1.528 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000516783385 448474477 /nfs/dbraw/zinc/47/44/77/448474477.db2.gz GROFNEMKFJFRBF-CJNGLKHVSA-N 2 2 346.431 1.528 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000516869601 448487049 /nfs/dbraw/zinc/48/70/49/448487049.db2.gz LVBDMINRBQOAJC-IBGZPJMESA-N 2 2 330.476 1.905 20 0 EDADLP CCC(=O)Nc1cccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000516921720 448496404 /nfs/dbraw/zinc/49/64/04/448496404.db2.gz HSLDODMQZAXHQG-DAYGRLMNSA-N 2 2 349.475 1.595 20 0 EDADLP O=C1[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528390067 448509378 /nfs/dbraw/zinc/50/93/78/448509378.db2.gz NPGOVZYVIOLLNH-AEFFLSMTSA-N 2 2 335.492 1.574 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)on1 ZINC000516964759 448510905 /nfs/dbraw/zinc/51/09/05/448510905.db2.gz JWZUKJOQQLQDKS-LBPRGKRZSA-N 2 2 344.419 1.447 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)N1CCCCC1 ZINC000591869140 448516024 /nfs/dbraw/zinc/51/60/24/448516024.db2.gz MAOKRSXCSPYZSA-CVEARBPZSA-N 2 2 347.463 1.037 20 0 EDADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)N1CCCCC1 ZINC000591869140 448516029 /nfs/dbraw/zinc/51/60/29/448516029.db2.gz MAOKRSXCSPYZSA-CVEARBPZSA-N 2 2 347.463 1.037 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000566615063 448520190 /nfs/dbraw/zinc/52/01/90/448520190.db2.gz FGSDTJLEFXGICX-RLLQIKCJSA-N 2 2 348.487 1.832 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000566615063 448520194 /nfs/dbraw/zinc/52/01/94/448520194.db2.gz FGSDTJLEFXGICX-RLLQIKCJSA-N 2 2 348.487 1.832 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584449392 448528825 /nfs/dbraw/zinc/52/88/25/448528825.db2.gz MVUFEMWSVUPETN-OAHLLOKOSA-N 2 2 343.431 1.606 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584449392 448528827 /nfs/dbraw/zinc/52/88/27/448528827.db2.gz MVUFEMWSVUPETN-OAHLLOKOSA-N 2 2 343.431 1.606 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000528526794 448570883 /nfs/dbraw/zinc/57/08/83/448570883.db2.gz ARDFLHYCZZPNHU-UHFFFAOYSA-N 2 2 345.447 1.825 20 0 EDADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000578401305 448534672 /nfs/dbraw/zinc/53/46/72/448534672.db2.gz GDWCJQGKVSUWNL-ULQDDVLXSA-N 2 2 346.475 1.523 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccnc(C)c3)CC2)CC1 ZINC000517728442 448609618 /nfs/dbraw/zinc/60/96/18/448609618.db2.gz WRGMVUWKMHFJRV-UHFFFAOYSA-N 2 2 345.491 1.836 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccnc(C)c3)CC2)CC1 ZINC000517728442 448609622 /nfs/dbraw/zinc/60/96/22/448609622.db2.gz WRGMVUWKMHFJRV-UHFFFAOYSA-N 2 2 345.491 1.836 20 0 EDADLP CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000584634400 448587636 /nfs/dbraw/zinc/58/76/36/448587636.db2.gz HYRAJICNMZAOMH-LLVKDONJSA-N 2 2 326.447 1.057 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000538566286 448590276 /nfs/dbraw/zinc/59/02/76/448590276.db2.gz OWDSMSOMWIGLCN-UHFFFAOYSA-N 2 2 343.475 1.848 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC000517924956 448629418 /nfs/dbraw/zinc/62/94/18/448629418.db2.gz CHKPXJDTFURWMF-AESZEHBQSA-N 2 2 340.439 1.653 20 0 EDADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)sc1Br ZINC000578766791 448633013 /nfs/dbraw/zinc/63/30/13/448633013.db2.gz HMQFFPZXUOHEND-MWLCHTKSSA-N 2 2 344.278 1.563 20 0 EDADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)sc1Br ZINC000578766791 448633015 /nfs/dbraw/zinc/63/30/15/448633015.db2.gz HMQFFPZXUOHEND-MWLCHTKSSA-N 2 2 344.278 1.563 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000578994978 448689088 /nfs/dbraw/zinc/68/90/88/448689088.db2.gz HOKBPPYMHROXID-SFHVURJKSA-N 2 2 344.459 1.417 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000579122902 448721466 /nfs/dbraw/zinc/72/14/66/448721466.db2.gz QAQZXUBLKRXSFS-UHFFFAOYSA-N 2 2 347.328 1.084 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000573980024 448763118 /nfs/dbraw/zinc/76/31/18/448763118.db2.gz WXVMNMQSCMCRPZ-GOEBONIOSA-N 2 2 335.448 1.140 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000573980024 448763123 /nfs/dbraw/zinc/76/31/23/448763123.db2.gz WXVMNMQSCMCRPZ-GOEBONIOSA-N 2 2 335.448 1.140 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000567624516 448726579 /nfs/dbraw/zinc/72/65/79/448726579.db2.gz REJKRMUCIGCFQE-GOSISDBHSA-N 3 2 327.513 1.123 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000567624516 448726584 /nfs/dbraw/zinc/72/65/84/448726584.db2.gz REJKRMUCIGCFQE-GOSISDBHSA-N 3 2 327.513 1.123 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000518996831 448730911 /nfs/dbraw/zinc/73/09/11/448730911.db2.gz FAOYYEJVGBNVOC-CZUORRHYSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000518996831 448730914 /nfs/dbraw/zinc/73/09/14/448730914.db2.gz FAOYYEJVGBNVOC-CZUORRHYSA-N 2 2 339.867 1.780 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc(Cl)cc3c2OCC3)[C@H](C[NH3+])C1 ZINC000579332473 448767759 /nfs/dbraw/zinc/76/77/59/448767759.db2.gz IBCQIRJCZXLBKR-CQSZACIVSA-N 2 2 338.839 1.059 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000573906977 448742717 /nfs/dbraw/zinc/74/27/17/448742717.db2.gz RZJQGDXJLPLBRB-INIZCTEOSA-N 2 2 328.420 1.321 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000573906977 448742725 /nfs/dbraw/zinc/74/27/25/448742725.db2.gz RZJQGDXJLPLBRB-INIZCTEOSA-N 2 2 328.420 1.321 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)[C@H](C[NH3+])C1 ZINC000567716113 448747009 /nfs/dbraw/zinc/74/70/09/448747009.db2.gz FWZVJDOZLCAPKG-MLGOLLRUSA-N 2 2 338.402 1.627 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)[C@H](C[NH3+])C1 ZINC000567716113 448747014 /nfs/dbraw/zinc/74/70/14/448747014.db2.gz FWZVJDOZLCAPKG-MLGOLLRUSA-N 2 2 338.402 1.627 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000519292250 448757292 /nfs/dbraw/zinc/75/72/92/448757292.db2.gz WAFPRBDKHBXGKR-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)CCO1 ZINC000519631416 448806240 /nfs/dbraw/zinc/80/62/40/448806240.db2.gz AMWJYOJBSBLWIT-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)CCO1 ZINC000519631416 448806242 /nfs/dbraw/zinc/80/62/42/448806242.db2.gz AMWJYOJBSBLWIT-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000519631416 448806247 /nfs/dbraw/zinc/80/62/47/448806247.db2.gz AMWJYOJBSBLWIT-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000519631416 448806251 /nfs/dbraw/zinc/80/62/51/448806251.db2.gz AMWJYOJBSBLWIT-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2=O)C1 ZINC000568163290 448824635 /nfs/dbraw/zinc/82/46/35/448824635.db2.gz UBSQMDKJLPPRKG-DOTOQJQBSA-N 2 2 347.434 1.427 20 0 EDADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2=O)C1 ZINC000568163290 448824640 /nfs/dbraw/zinc/82/46/40/448824640.db2.gz UBSQMDKJLPPRKG-DOTOQJQBSA-N 2 2 347.434 1.427 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)F ZINC000579611210 448835144 /nfs/dbraw/zinc/83/51/44/448835144.db2.gz PRBQTBINGRRSEH-PWSUYJOCSA-N 2 2 330.354 1.809 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C(F)(F)F ZINC000579611210 448835148 /nfs/dbraw/zinc/83/51/48/448835148.db2.gz PRBQTBINGRRSEH-PWSUYJOCSA-N 2 2 330.354 1.809 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000574312783 448842347 /nfs/dbraw/zinc/84/23/47/448842347.db2.gz MYRHBHFCCKKUQW-CABCVRRESA-N 2 2 345.409 1.444 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c[nH+]c(C)n1C ZINC000568273670 448848707 /nfs/dbraw/zinc/84/87/07/448848707.db2.gz WWEXPVVUFVWQQK-KRWDZBQOSA-N 2 2 325.416 1.657 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592479170 448853968 /nfs/dbraw/zinc/85/39/68/448853968.db2.gz TUZQKCHPEZCKDG-RDJZCZTQSA-N 2 2 345.443 1.876 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592479170 448853973 /nfs/dbraw/zinc/85/39/73/448853973.db2.gz TUZQKCHPEZCKDG-RDJZCZTQSA-N 2 2 345.443 1.876 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccnn3-c3ccccn3)C2)CC1 ZINC000592500297 448866135 /nfs/dbraw/zinc/86/61/35/448866135.db2.gz VDWNOSHIMNEYJU-KRWDZBQOSA-N 2 2 340.475 1.479 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccnn3-c3ccccn3)C2)CC1 ZINC000592500297 448866141 /nfs/dbraw/zinc/86/61/41/448866141.db2.gz VDWNOSHIMNEYJU-KRWDZBQOSA-N 2 2 340.475 1.479 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000579932255 448911724 /nfs/dbraw/zinc/91/17/24/448911724.db2.gz BVOGMYCAWAVHJB-INIZCTEOSA-N 2 2 332.448 1.274 20 0 EDADLP CCC[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCOC ZINC000547675398 448913183 /nfs/dbraw/zinc/91/31/83/448913183.db2.gz XDCOLRTUKLARFO-JKSUJKDBSA-N 2 2 349.479 1.340 20 0 EDADLP CCC[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCOC ZINC000547675398 448913190 /nfs/dbraw/zinc/91/31/90/448913190.db2.gz XDCOLRTUKLARFO-JKSUJKDBSA-N 2 2 349.479 1.340 20 0 EDADLP CS[C@H](CO)[C@@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000568866715 448930843 /nfs/dbraw/zinc/93/08/43/448930843.db2.gz KFAQSBYWWKVWPA-JKIFEVAISA-N 2 2 337.489 1.716 20 0 EDADLP CC[C@@H]1OCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520357405 448887293 /nfs/dbraw/zinc/88/72/93/448887293.db2.gz FMUIJROZKVQPHS-CVEARBPZSA-N 2 2 332.448 1.277 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000520393176 448889821 /nfs/dbraw/zinc/88/98/21/448889821.db2.gz MGIRQPVPXZXDBQ-BXUZGUMPSA-N 2 2 331.869 1.206 20 0 EDADLP COC[C@]1(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CC[NH2+]C1 ZINC000568995295 448951332 /nfs/dbraw/zinc/95/13/32/448951332.db2.gz RYUDXXACUFKZEH-ZDUSSCGKSA-N 2 2 334.342 1.030 20 0 EDADLP CCc1nncn1CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000521228079 448965424 /nfs/dbraw/zinc/96/54/24/448965424.db2.gz JHAWVPIUDZUHBX-HNNXBMFYSA-N 2 2 342.447 1.458 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000520968126 448942591 /nfs/dbraw/zinc/94/25/91/448942591.db2.gz WENFBZVDZSGCGW-LBPRGKRZSA-N 2 2 325.376 1.233 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000548191628 449001049 /nfs/dbraw/zinc/00/10/49/449001049.db2.gz MBKAPUMDRMYSOM-UHFFFAOYSA-N 2 2 328.416 1.111 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCc2cn(C)c[nH+]2)C[C@@H](C)O1 ZINC000521978436 449034652 /nfs/dbraw/zinc/03/46/52/449034652.db2.gz MYPUQBKWYKZMRQ-INMHGKMJSA-N 2 2 349.479 1.246 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000582184065 449032218 /nfs/dbraw/zinc/03/22/18/449032218.db2.gz KJXPGZWFYLEZPE-WBVHZDCISA-N 2 2 334.464 1.405 20 0 EDADLP CCc1nnsc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000522284342 449074363 /nfs/dbraw/zinc/07/43/63/449074363.db2.gz SKTGNCMVFVCZJB-UHFFFAOYSA-N 2 2 332.433 1.500 20 0 EDADLP [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCCNc3cccc[nH+]3)c21 ZINC000592957264 449078106 /nfs/dbraw/zinc/07/81/06/449078106.db2.gz NSLWLJKUUJSAEN-CYBMUJFWSA-N 2 2 328.420 1.346 20 0 EDADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3cn4c([nH+]3)CCCC4)c21 ZINC000592958721 449081816 /nfs/dbraw/zinc/08/18/16/449081816.db2.gz HRRNWXIPFAEKME-LBPRGKRZSA-N 2 2 328.420 1.182 20 0 EDADLP [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3cn4c([nH+]3)CCCC4)c21 ZINC000592958720 449082223 /nfs/dbraw/zinc/08/22/23/449082223.db2.gz HRRNWXIPFAEKME-GFCCVEGCSA-N 2 2 328.420 1.182 20 0 EDADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@@H]3CCc4nnnn4CC3)C2)cc1 ZINC000521992190 449036778 /nfs/dbraw/zinc/03/67/78/449036778.db2.gz VQYSLUZPPYMCQD-IAGOWNOFSA-N 2 2 326.448 1.632 20 0 EDADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@@H]3CCc4nnnn4CC3)C2)cc1 ZINC000521992190 449036780 /nfs/dbraw/zinc/03/67/80/449036780.db2.gz VQYSLUZPPYMCQD-IAGOWNOFSA-N 2 2 326.448 1.632 20 0 EDADLP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000522241624 449066822 /nfs/dbraw/zinc/06/68/22/449066822.db2.gz NDLSCLOKAAKQNT-HNNXBMFYSA-N 2 2 342.447 1.904 20 0 EDADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000522241624 449066827 /nfs/dbraw/zinc/06/68/27/449066827.db2.gz NDLSCLOKAAKQNT-HNNXBMFYSA-N 2 2 342.447 1.904 20 0 EDADLP COc1c(C)cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1C ZINC000530242889 449092548 /nfs/dbraw/zinc/09/25/48/449092548.db2.gz PSWHMLVNGUHJBE-UHFFFAOYSA-N 2 2 346.475 1.455 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000590104019 449106603 /nfs/dbraw/zinc/10/66/03/449106603.db2.gz DMAYTOQEXBQJOX-SJORKVTESA-N 2 2 333.501 1.987 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000590104019 449106608 /nfs/dbraw/zinc/10/66/08/449106608.db2.gz DMAYTOQEXBQJOX-SJORKVTESA-N 2 2 333.501 1.987 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000604295706 449202154 /nfs/dbraw/zinc/20/21/54/449202154.db2.gz BTIRICNAFWUROG-IAGOWNOFSA-N 2 2 336.480 1.917 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000604295706 449202157 /nfs/dbraw/zinc/20/21/57/449202157.db2.gz BTIRICNAFWUROG-IAGOWNOFSA-N 2 2 336.480 1.917 20 0 EDADLP C[S@](=O)C1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000601968202 449250074 /nfs/dbraw/zinc/25/00/74/449250074.db2.gz YKYBHGIDWKEGGT-SBUREZEXSA-N 2 2 336.501 1.514 20 0 EDADLP C[S@](=O)C1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000601968202 449250077 /nfs/dbraw/zinc/25/00/77/449250077.db2.gz YKYBHGIDWKEGGT-SBUREZEXSA-N 2 2 336.501 1.514 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(I)cc1 ZINC000593903285 449274359 /nfs/dbraw/zinc/27/43/59/449274359.db2.gz XLJYRFPTPBRFFW-LLVKDONJSA-N 2 2 347.200 1.509 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000604774260 449294480 /nfs/dbraw/zinc/29/44/80/449294480.db2.gz MAIDEJLSWIBWDY-ZWKOTPCHSA-N 2 2 345.487 1.928 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000604774260 449294489 /nfs/dbraw/zinc/29/44/89/449294489.db2.gz MAIDEJLSWIBWDY-ZWKOTPCHSA-N 2 2 345.487 1.928 20 0 EDADLP COC(=O)[C@@H](CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000593979086 449311226 /nfs/dbraw/zinc/31/12/26/449311226.db2.gz FVUCQLRCPKRELP-INIZCTEOSA-N 2 2 328.416 1.879 20 0 EDADLP CCOC(=O)c1nccc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000596127361 449377490 /nfs/dbraw/zinc/37/74/90/449377490.db2.gz XJIQWUZCRXJRTM-HNNXBMFYSA-N 2 2 347.463 1.258 20 0 EDADLP CCOC(=O)c1nccc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000596127361 449377492 /nfs/dbraw/zinc/37/74/92/449377492.db2.gz XJIQWUZCRXJRTM-HNNXBMFYSA-N 2 2 347.463 1.258 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000617009447 449425809 /nfs/dbraw/zinc/42/58/09/449425809.db2.gz ZIKBCKHBQRVQLH-ARFHVFGLSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000617009447 449425813 /nfs/dbraw/zinc/42/58/13/449425813.db2.gz ZIKBCKHBQRVQLH-ARFHVFGLSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCO[C@H](CC)C1 ZINC000617009447 449425816 /nfs/dbraw/zinc/42/58/16/449425816.db2.gz ZIKBCKHBQRVQLH-ARFHVFGLSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCO[C@H](CC)C1 ZINC000617009447 449425820 /nfs/dbraw/zinc/42/58/20/449425820.db2.gz ZIKBCKHBQRVQLH-ARFHVFGLSA-N 2 2 325.497 1.865 20 0 EDADLP CS[C@H]1CCC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000596319690 449473108 /nfs/dbraw/zinc/47/31/08/449473108.db2.gz ZQTNTNUVEPMJPI-CABCVRRESA-N 2 2 330.542 1.843 20 0 EDADLP CS[C@H]1CCC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000596319690 449473112 /nfs/dbraw/zinc/47/31/12/449473112.db2.gz ZQTNTNUVEPMJPI-CABCVRRESA-N 2 2 330.542 1.843 20 0 EDADLP O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000614227296 449515813 /nfs/dbraw/zinc/51/58/13/449515813.db2.gz YZCOQZMMJZYODK-KRWDZBQOSA-N 2 2 328.460 1.791 20 0 EDADLP O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000614227296 449515818 /nfs/dbraw/zinc/51/58/18/449515818.db2.gz YZCOQZMMJZYODK-KRWDZBQOSA-N 2 2 328.460 1.791 20 0 EDADLP CC[C@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000612403578 449681515 /nfs/dbraw/zinc/68/15/15/449681515.db2.gz OVQOQMQZQGXQON-ZWKOTPCHSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000612403578 449681519 /nfs/dbraw/zinc/68/15/19/449681519.db2.gz OVQOQMQZQGXQON-ZWKOTPCHSA-N 2 2 345.487 1.876 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000599009176 449696180 /nfs/dbraw/zinc/69/61/80/449696180.db2.gz UAQAHNNOZVMEIT-DOTOQJQBSA-N 2 2 347.459 1.308 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000599009176 449696186 /nfs/dbraw/zinc/69/61/86/449696186.db2.gz UAQAHNNOZVMEIT-DOTOQJQBSA-N 2 2 347.459 1.308 20 0 EDADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2cccc(I)c2)C1 ZINC000599018733 449700325 /nfs/dbraw/zinc/70/03/25/449700325.db2.gz MIVTZTKGQUPLNQ-ZDUSSCGKSA-N 2 2 346.212 1.447 20 0 EDADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2cccc(I)c2)C1 ZINC000599018733 449700328 /nfs/dbraw/zinc/70/03/28/449700328.db2.gz MIVTZTKGQUPLNQ-ZDUSSCGKSA-N 2 2 346.212 1.447 20 0 EDADLP Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000602622248 449711338 /nfs/dbraw/zinc/71/13/38/449711338.db2.gz KQWSNHUEOKLXMQ-LBPRGKRZSA-N 2 2 331.420 1.677 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H]1C ZINC000599064225 449716281 /nfs/dbraw/zinc/71/62/81/449716281.db2.gz FFJJIYBRICSFOY-FPCVCCKLSA-N 2 2 339.480 1.284 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H]1C ZINC000599064225 449716284 /nfs/dbraw/zinc/71/62/84/449716284.db2.gz FFJJIYBRICSFOY-FPCVCCKLSA-N 2 2 339.480 1.284 20 0 EDADLP COC(=O)[C@H](O)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000597031703 449776417 /nfs/dbraw/zinc/77/64/17/449776417.db2.gz YOXQEKZYDVRUSK-MRXNPFEDSA-N 2 2 330.388 1.013 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C(F)(F)F)cnn3C)C2)CC1 ZINC000597003821 449758927 /nfs/dbraw/zinc/75/89/27/449758927.db2.gz SIOLGYNOCYUGGJ-ZDUSSCGKSA-N 2 2 345.413 1.651 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C(F)(F)F)cnn3C)C2)CC1 ZINC000597003821 449758933 /nfs/dbraw/zinc/75/89/33/449758933.db2.gz SIOLGYNOCYUGGJ-ZDUSSCGKSA-N 2 2 345.413 1.651 20 0 EDADLP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000597086829 449804932 /nfs/dbraw/zinc/80/49/32/449804932.db2.gz BGQDDXLUSCILCO-IAGOWNOFSA-N 2 2 344.415 1.810 20 0 EDADLP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000597086829 449804939 /nfs/dbraw/zinc/80/49/39/449804939.db2.gz BGQDDXLUSCILCO-IAGOWNOFSA-N 2 2 344.415 1.810 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000594914044 449806418 /nfs/dbraw/zinc/80/64/18/449806418.db2.gz BWVOIFLIHHZSNG-BHIYHBOVSA-N 2 2 345.487 1.986 20 0 EDADLP CCOC(=O)c1ncc(C[N@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000602795777 449814343 /nfs/dbraw/zinc/81/43/43/449814343.db2.gz CEICDUHFCYGFDH-UHFFFAOYSA-N 2 2 340.493 1.389 20 0 EDADLP CCOC(=O)c1ncc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000602795777 449814350 /nfs/dbraw/zinc/81/43/50/449814350.db2.gz CEICDUHFCYGFDH-UHFFFAOYSA-N 2 2 340.493 1.389 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)c1ccc(Cl)s1 ZINC000617764627 449824596 /nfs/dbraw/zinc/82/45/96/449824596.db2.gz AKGMNBIUBXIMCF-UHFFFAOYSA-N 2 2 331.869 1.584 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)c1ccc(Cl)s1 ZINC000617764627 449824600 /nfs/dbraw/zinc/82/46/00/449824600.db2.gz AKGMNBIUBXIMCF-UHFFFAOYSA-N 2 2 331.869 1.584 20 0 EDADLP COC(=O)c1coc([C@H](C)[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000601326026 449833419 /nfs/dbraw/zinc/83/34/19/449833419.db2.gz QIUKPGSDVMJEEX-LNSITVRQSA-N 2 2 337.420 1.741 20 0 EDADLP Cc1cccc(C(=O)N[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617768653 449833930 /nfs/dbraw/zinc/83/39/30/449833930.db2.gz OJODBLPMUGRQGR-INIZCTEOSA-N 2 2 348.491 1.113 20 0 EDADLP Cc1cccc(C(=O)N[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617768653 449833934 /nfs/dbraw/zinc/83/39/34/449833934.db2.gz OJODBLPMUGRQGR-INIZCTEOSA-N 2 2 348.491 1.113 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000601285619 449799335 /nfs/dbraw/zinc/79/93/35/449799335.db2.gz LILQBBDLCUEAST-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000601285619 449799338 /nfs/dbraw/zinc/79/93/38/449799338.db2.gz LILQBBDLCUEAST-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C[NH+]1CCN(C)CC1 ZINC000608709209 449917384 /nfs/dbraw/zinc/91/73/84/449917384.db2.gz URGHXRCUSCKGGW-DLBZAZTESA-N 2 2 348.495 1.113 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258312 449985977 /nfs/dbraw/zinc/98/59/77/449985977.db2.gz RNEWKIWEFGVKEM-JKSUJKDBSA-N 2 2 348.447 1.464 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258312 449985995 /nfs/dbraw/zinc/98/59/95/449985995.db2.gz RNEWKIWEFGVKEM-JKSUJKDBSA-N 2 2 348.447 1.464 20 0 EDADLP CC(C)CO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479260 450000989 /nfs/dbraw/zinc/00/09/89/450000989.db2.gz TZBSTOBASRDFHV-DOTOQJQBSA-N 2 2 325.497 1.674 20 0 EDADLP CC(C)CO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479260 450000993 /nfs/dbraw/zinc/00/09/93/450000993.db2.gz TZBSTOBASRDFHV-DOTOQJQBSA-N 2 2 325.497 1.674 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[N@@H+]1C ZINC000595349049 450063390 /nfs/dbraw/zinc/06/33/90/450063390.db2.gz XIGDTJQOCPFXTN-QLFBSQMISA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[N@H+]1C ZINC000595349049 450063394 /nfs/dbraw/zinc/06/33/94/450063394.db2.gz XIGDTJQOCPFXTN-QLFBSQMISA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[NH+]1C ZINC000595349049 450063399 /nfs/dbraw/zinc/06/33/99/450063399.db2.gz XIGDTJQOCPFXTN-QLFBSQMISA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[NH+]1C ZINC000595349049 450063406 /nfs/dbraw/zinc/06/34/06/450063406.db2.gz XIGDTJQOCPFXTN-QLFBSQMISA-N 2 2 339.480 1.344 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000603283363 450208470 /nfs/dbraw/zinc/20/84/70/450208470.db2.gz WTUHCFJDDDLCNS-UHFFFAOYSA-N 2 2 340.431 1.610 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1)[C@@]1(CO)CCOC1)C1CC1 ZINC000625389963 450327760 /nfs/dbraw/zinc/32/77/60/450327760.db2.gz MURYFSSAVOVDLH-RBUKOAKNSA-N 2 2 334.460 1.095 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccccc1)[C@@]1(CO)CCOC1)C1CC1 ZINC000625389963 450327767 /nfs/dbraw/zinc/32/77/67/450327767.db2.gz MURYFSSAVOVDLH-RBUKOAKNSA-N 2 2 334.460 1.095 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1)C1CC1 ZINC000625389963 450327771 /nfs/dbraw/zinc/32/77/71/450327771.db2.gz MURYFSSAVOVDLH-RBUKOAKNSA-N 2 2 334.460 1.095 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1)C1CC1 ZINC000625389963 450327776 /nfs/dbraw/zinc/32/77/76/450327776.db2.gz MURYFSSAVOVDLH-RBUKOAKNSA-N 2 2 334.460 1.095 20 0 EDADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265918 450470521 /nfs/dbraw/zinc/47/05/21/450470521.db2.gz NSXLRVIHEHFTDI-FUHWJXTLSA-N 2 2 340.427 1.215 20 0 EDADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265918 450470524 /nfs/dbraw/zinc/47/05/24/450470524.db2.gz NSXLRVIHEHFTDI-FUHWJXTLSA-N 2 2 340.427 1.215 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503852 /nfs/dbraw/zinc/50/38/52/450503852.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 3 2 331.504 1.868 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503854 /nfs/dbraw/zinc/50/38/54/450503854.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 3 2 331.504 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503856 /nfs/dbraw/zinc/50/38/56/450503856.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 3 2 331.504 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503858 /nfs/dbraw/zinc/50/38/58/450503858.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 3 2 331.504 1.868 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000620770695 450541593 /nfs/dbraw/zinc/54/15/93/450541593.db2.gz TXQMRMVJKKYBSQ-INIZCTEOSA-N 2 2 348.410 1.667 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000620770695 450541594 /nfs/dbraw/zinc/54/15/94/450541594.db2.gz TXQMRMVJKKYBSQ-INIZCTEOSA-N 2 2 348.410 1.667 20 0 EDADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623597258 450548661 /nfs/dbraw/zinc/54/86/61/450548661.db2.gz DGHLBCANSSKLBX-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623597258 450548665 /nfs/dbraw/zinc/54/86/65/450548665.db2.gz DGHLBCANSSKLBX-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623597258 450548667 /nfs/dbraw/zinc/54/86/67/450548667.db2.gz DGHLBCANSSKLBX-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623597258 450548670 /nfs/dbraw/zinc/54/86/70/450548670.db2.gz DGHLBCANSSKLBX-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CCCNC(=O)CCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626089391 450573516 /nfs/dbraw/zinc/57/35/16/450573516.db2.gz OMAWYQXDMYSNLL-UHFFFAOYSA-N 2 2 325.497 1.870 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000631510508 450629127 /nfs/dbraw/zinc/62/91/27/450629127.db2.gz JVSMVVRQLLDQIS-HNNXBMFYSA-N 2 2 340.427 1.871 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000623951184 450649256 /nfs/dbraw/zinc/64/92/56/450649256.db2.gz CFVQPBNCCLIABT-CQSZACIVSA-N 2 2 325.416 2.405 20 0 EDADLP COCC[N@H+]1CCC[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000623951184 450649257 /nfs/dbraw/zinc/64/92/57/450649257.db2.gz CFVQPBNCCLIABT-CQSZACIVSA-N 2 2 325.416 2.405 20 0 EDADLP COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000631580152 450664845 /nfs/dbraw/zinc/66/48/45/450664845.db2.gz DGCAERKFLVMYKI-YLJYHZDGSA-N 2 2 345.487 1.679 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000624004319 450667117 /nfs/dbraw/zinc/66/71/17/450667117.db2.gz DBWBOTBVNUAHBB-CQSZACIVSA-N 2 2 325.416 1.775 20 0 EDADLP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000629522355 450725274 /nfs/dbraw/zinc/72/52/74/450725274.db2.gz XZUHDGIDMOMEPX-ZDUSSCGKSA-N 2 2 341.477 1.095 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746838 450747830 /nfs/dbraw/zinc/74/78/30/450747830.db2.gz TYOMBNQMTOXZSQ-MAUKXSAKSA-N 2 2 338.459 1.560 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000631879648 450841991 /nfs/dbraw/zinc/84/19/91/450841991.db2.gz CKYBVRGZSJUENT-PMACEKPBSA-N 2 2 343.446 1.879 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)CC3 ZINC000624336237 450797624 /nfs/dbraw/zinc/79/76/24/450797624.db2.gz LUEBZGMIUJYXIN-KBPBESRZSA-N 2 2 329.444 1.690 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)CC3 ZINC000624336237 450797632 /nfs/dbraw/zinc/79/76/32/450797632.db2.gz LUEBZGMIUJYXIN-KBPBESRZSA-N 2 2 329.444 1.690 20 0 EDADLP O[C@H]1CC[N@H+](CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000624333006 450798636 /nfs/dbraw/zinc/79/86/36/450798636.db2.gz FYXGRHIORZJTPO-HNNXBMFYSA-N 2 2 325.403 1.590 20 0 EDADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000624333006 450798639 /nfs/dbraw/zinc/79/86/39/450798639.db2.gz FYXGRHIORZJTPO-HNNXBMFYSA-N 2 2 325.403 1.590 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886085 450847462 /nfs/dbraw/zinc/84/74/62/450847462.db2.gz FNDJLKMCLGPUCE-FUHWJXTLSA-N 2 2 331.460 1.775 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886085 450847467 /nfs/dbraw/zinc/84/74/67/450847467.db2.gz FNDJLKMCLGPUCE-FUHWJXTLSA-N 2 2 331.460 1.775 20 0 EDADLP CCn1ncc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c1C ZINC000633458775 450861344 /nfs/dbraw/zinc/86/13/44/450861344.db2.gz MARYTTJRFJHHNR-UHFFFAOYSA-N 2 2 347.507 1.844 20 0 EDADLP CCn1ncc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c1C ZINC000633458775 450861348 /nfs/dbraw/zinc/86/13/48/450861348.db2.gz MARYTTJRFJHHNR-UHFFFAOYSA-N 2 2 347.507 1.844 20 0 EDADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000621779603 450865209 /nfs/dbraw/zinc/86/52/09/450865209.db2.gz HBANSXUQWXMOOP-JLTOFOAXSA-N 2 2 338.455 1.866 20 0 EDADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000621779603 450865215 /nfs/dbraw/zinc/86/52/15/450865215.db2.gz HBANSXUQWXMOOP-JLTOFOAXSA-N 2 2 338.455 1.866 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc4n3CCCCC4)C2)CC1 ZINC000621866092 450907291 /nfs/dbraw/zinc/90/72/91/450907291.db2.gz IQBKDTWUFDWLMT-HNNXBMFYSA-N 2 2 345.491 1.508 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc4n3CCCCC4)C2)CC1 ZINC000621866092 450907292 /nfs/dbraw/zinc/90/72/92/450907292.db2.gz IQBKDTWUFDWLMT-HNNXBMFYSA-N 2 2 345.491 1.508 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[NH2+]C[C@H]3C(C)C)ccc2n1C ZINC000626847174 450954594 /nfs/dbraw/zinc/95/45/94/450954594.db2.gz ZTVNGTVXHVYICF-INIZCTEOSA-N 2 2 343.431 1.277 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000624703311 450954883 /nfs/dbraw/zinc/95/48/83/450954883.db2.gz PUOZMFGAYHJXES-UHFFFAOYSA-N 2 2 345.451 1.027 20 0 EDADLP Cc1nc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(C)c(C)[nH+]1 ZINC000624705117 450956378 /nfs/dbraw/zinc/95/63/78/450956378.db2.gz IJPVHYBEZJSSTG-QGZVFWFLSA-N 2 2 327.432 2.110 20 0 EDADLP Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(C)c(C)[nH+]1 ZINC000624705117 450956382 /nfs/dbraw/zinc/95/63/82/450956382.db2.gz IJPVHYBEZJSSTG-QGZVFWFLSA-N 2 2 327.432 2.110 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)C[NH2+]1 ZINC000626927203 451010237 /nfs/dbraw/zinc/01/02/37/451010237.db2.gz KMFBXGDHDUDQGY-VNQPRFMTSA-N 2 2 327.432 1.949 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C[NH2+]1 ZINC000626937785 451019309 /nfs/dbraw/zinc/01/93/09/451019309.db2.gz YUEPDDRJQAUJSG-NXHRZFHOSA-N 2 2 346.475 1.500 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000627082539 451115667 /nfs/dbraw/zinc/11/56/67/451115667.db2.gz GRODQHWVCSKBEL-QZTJIDSGSA-N 2 2 342.443 1.469 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000627082539 451115673 /nfs/dbraw/zinc/11/56/73/451115673.db2.gz GRODQHWVCSKBEL-QZTJIDSGSA-N 2 2 342.443 1.469 20 0 EDADLP Cc1cc(NCCNC(=O)NCC2(C)CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627084584 451117076 /nfs/dbraw/zinc/11/70/76/451117076.db2.gz WSDQNCUAKRFWEB-UHFFFAOYSA-N 2 2 348.495 2.009 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1[nH+]ccn1C ZINC000627117772 451133922 /nfs/dbraw/zinc/13/39/22/451133922.db2.gz KAUUOSONSXQLGD-GARJFASQSA-N 2 2 333.358 1.650 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCC[NH+]3CCOCC3)C2)cc1 ZINC000630407399 451171062 /nfs/dbraw/zinc/17/10/62/451171062.db2.gz IBMNMIKIIPROFT-SFHVURJKSA-N 2 2 346.475 1.201 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCC[NH+]3CCOCC3)C2)cc1 ZINC000630407399 451171067 /nfs/dbraw/zinc/17/10/67/451171067.db2.gz IBMNMIKIIPROFT-SFHVURJKSA-N 2 2 346.475 1.201 20 0 EDADLP CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193997 451229511 /nfs/dbraw/zinc/22/95/11/451229511.db2.gz OKRIJWHBHJJXQE-GUYCJALGSA-N 2 2 347.463 1.323 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)s1 ZINC000627240515 451204292 /nfs/dbraw/zinc/20/42/92/451204292.db2.gz YWUASMCPDFOOHL-XJKSGUPXSA-N 2 2 336.505 1.888 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCc3ncccn3)c2)CC1 ZINC000634194806 451231858 /nfs/dbraw/zinc/23/18/58/451231858.db2.gz VYGNUKZVGUKCMU-UHFFFAOYSA-N 2 2 326.404 1.195 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3COc4ccccc43)c2)CC1 ZINC000634196161 451233757 /nfs/dbraw/zinc/23/37/57/451233757.db2.gz NNZNOQIKLGDHQA-INIZCTEOSA-N 2 2 338.411 1.948 20 0 EDADLP CC1(O)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000638089551 451253237 /nfs/dbraw/zinc/25/32/37/451253237.db2.gz BFURUCVOJGHZBF-UHFFFAOYSA-N 2 2 334.460 1.744 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000638097368 451261256 /nfs/dbraw/zinc/26/12/56/451261256.db2.gz DFQLYRGFVSSMDS-CYBMUJFWSA-N 2 2 342.321 1.770 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC[N@@H+]1CCCOCC1 ZINC000635835739 451284008 /nfs/dbraw/zinc/28/40/08/451284008.db2.gz QOGOFRFQELVFKD-GFCCVEGCSA-N 2 2 334.342 1.215 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC[N@H+]1CCCOCC1 ZINC000635835739 451284013 /nfs/dbraw/zinc/28/40/13/451284013.db2.gz QOGOFRFQELVFKD-GFCCVEGCSA-N 2 2 334.342 1.215 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638137200 451310531 /nfs/dbraw/zinc/31/05/31/451310531.db2.gz GVJKIQVEBIZWMW-UHFFFAOYSA-N 2 2 342.443 1.599 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638139218 451315241 /nfs/dbraw/zinc/31/52/41/451315241.db2.gz KFWAOVIUWFLWDH-KBPBESRZSA-N 2 2 344.381 1.067 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638139218 451315246 /nfs/dbraw/zinc/31/52/46/451315246.db2.gz KFWAOVIUWFLWDH-KBPBESRZSA-N 2 2 344.381 1.067 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640443582 451319441 /nfs/dbraw/zinc/31/94/41/451319441.db2.gz PJCDRQYPTLHIHL-OAHLLOKOSA-N 2 2 325.416 1.579 20 0 EDADLP C[NH+](C)C1(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000632489041 451337481 /nfs/dbraw/zinc/33/74/81/451337481.db2.gz YBKQNWLFIWYGOI-UHFFFAOYSA-N 2 2 334.445 1.304 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(F)cc1 ZINC000636613586 451352418 /nfs/dbraw/zinc/35/24/18/451352418.db2.gz JRXNJVMSGGDDRG-GOEBONIOSA-N 2 2 331.395 1.549 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)CC2 ZINC000638252452 451382017 /nfs/dbraw/zinc/38/20/17/451382017.db2.gz VCRGLJHAHLXVIU-BRWVUGGUSA-N 2 2 330.476 1.992 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC12CCOCC2 ZINC000638264038 451386482 /nfs/dbraw/zinc/38/64/82/451386482.db2.gz YTUWZBUQMZEAPZ-MRXNPFEDSA-N 2 2 340.427 1.904 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(S(N)(=O)=O)cc3F)CC[C@H]21 ZINC000638181179 451343364 /nfs/dbraw/zinc/34/33/64/451343364.db2.gz XIXYVEKLMFGICE-XJKSGUPXSA-N 2 2 341.452 1.389 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(S(N)(=O)=O)cc3F)CC[C@H]21 ZINC000638181179 451343369 /nfs/dbraw/zinc/34/33/69/451343369.db2.gz XIXYVEKLMFGICE-XJKSGUPXSA-N 2 2 341.452 1.389 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(S(N)(=O)=O)cc3F)CC[C@H]21 ZINC000638181179 451343375 /nfs/dbraw/zinc/34/33/75/451343375.db2.gz XIXYVEKLMFGICE-XJKSGUPXSA-N 2 2 341.452 1.389 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(S(N)(=O)=O)cc3F)CC[C@H]21 ZINC000638181179 451343382 /nfs/dbraw/zinc/34/33/82/451343382.db2.gz XIXYVEKLMFGICE-XJKSGUPXSA-N 2 2 341.452 1.389 20 0 EDADLP COC[C@@]1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCCC[NH2+]1 ZINC000638274360 451393653 /nfs/dbraw/zinc/39/36/53/451393653.db2.gz NNWMJVDPLCRHGL-LJQANCHMSA-N 2 2 349.450 1.629 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638276118 451394996 /nfs/dbraw/zinc/39/49/96/451394996.db2.gz QBUCTRXLCBEHQS-CQSZACIVSA-N 2 2 345.365 1.496 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640562921 451408670 /nfs/dbraw/zinc/40/86/70/451408670.db2.gz MHCQNWLJBVAQKL-OAHLLOKOSA-N 2 2 335.452 1.064 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000640566729 451411219 /nfs/dbraw/zinc/41/12/19/451411219.db2.gz BNGJYGNXBISCSX-AWEZNQCLSA-N 2 2 328.420 1.898 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640568355 451412070 /nfs/dbraw/zinc/41/20/70/451412070.db2.gz XXGIDXGAPKIPJK-OWCLPIDISA-N 2 2 348.409 1.812 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640568355 451412075 /nfs/dbraw/zinc/41/20/75/451412075.db2.gz XXGIDXGAPKIPJK-OWCLPIDISA-N 2 2 348.409 1.812 20 0 EDADLP C[C@@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638363899 451461566 /nfs/dbraw/zinc/46/15/66/451461566.db2.gz SIEVAVSGSVXXLK-CABCVRRESA-N 2 2 345.553 1.947 20 0 EDADLP C[C@@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000638363899 451461569 /nfs/dbraw/zinc/46/15/69/451461569.db2.gz SIEVAVSGSVXXLK-CABCVRRESA-N 2 2 345.553 1.947 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640614992 451462724 /nfs/dbraw/zinc/46/27/24/451462724.db2.gz IJFIWOXFFHGBLY-UHFFFAOYSA-N 2 2 349.479 1.718 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640614992 451462728 /nfs/dbraw/zinc/46/27/28/451462728.db2.gz IJFIWOXFFHGBLY-UHFFFAOYSA-N 2 2 349.479 1.718 20 0 EDADLP CC(C)C[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)n1cc[nH+]c1 ZINC000638365224 451463444 /nfs/dbraw/zinc/46/34/44/451463444.db2.gz CQEOJJQIUGBDJG-ARFHVFGLSA-N 2 2 330.436 1.157 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000634711259 451490853 /nfs/dbraw/zinc/49/08/53/451490853.db2.gz LYVZCWRYXRMGBF-CGTJXYLNSA-N 2 2 336.476 1.560 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634711478 451491547 /nfs/dbraw/zinc/49/15/47/451491547.db2.gz PKHSDNYMZMOFKH-QRQLOZEOSA-N 2 2 348.487 1.389 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634711478 451491553 /nfs/dbraw/zinc/49/15/53/451491553.db2.gz PKHSDNYMZMOFKH-QRQLOZEOSA-N 2 2 348.487 1.389 20 0 EDADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC000638413289 451499072 /nfs/dbraw/zinc/49/90/72/451499072.db2.gz RTUTVVNIPZOZLG-WMZOPIPTSA-N 2 2 342.443 1.921 20 0 EDADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2[nH+]c[nH]c2C)cc1 ZINC000638413289 451499080 /nfs/dbraw/zinc/49/90/80/451499080.db2.gz RTUTVVNIPZOZLG-WMZOPIPTSA-N 2 2 342.443 1.921 20 0 EDADLP CN1CCCC[C@@H]([N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000634745336 451521644 /nfs/dbraw/zinc/52/16/44/451521644.db2.gz DGAGDBDIPWRHMY-QUCCMNQESA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@@H]([N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000634745336 451521645 /nfs/dbraw/zinc/52/16/45/451521645.db2.gz DGAGDBDIPWRHMY-QUCCMNQESA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@@H]([NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000634745336 451521648 /nfs/dbraw/zinc/52/16/48/451521648.db2.gz DGAGDBDIPWRHMY-QUCCMNQESA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@@H]([NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000634745336 451521650 /nfs/dbraw/zinc/52/16/50/451521650.db2.gz DGAGDBDIPWRHMY-QUCCMNQESA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000638458479 451525878 /nfs/dbraw/zinc/52/58/78/451525878.db2.gz DOERNFQMGNELFC-NVXWUHKLSA-N 3 2 336.524 1.582 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000629165628 451574456 /nfs/dbraw/zinc/57/44/56/451574456.db2.gz CAEDRDPKRGBGFA-CABCVRRESA-N 2 2 325.840 1.126 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000629165628 451574458 /nfs/dbraw/zinc/57/44/58/451574458.db2.gz CAEDRDPKRGBGFA-CABCVRRESA-N 2 2 325.840 1.126 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632760723 451563856 /nfs/dbraw/zinc/56/38/56/451563856.db2.gz GWAQOPPYSDREFN-UHFFFAOYSA-N 2 2 346.479 1.756 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)[C@@H]1CCC[NH3+] ZINC000634812024 451566792 /nfs/dbraw/zinc/56/67/92/451566792.db2.gz XRDUQBXZWNSTMQ-HUUCEWRRSA-N 2 2 346.479 1.099 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)[C@@H]1CCC[NH3+] ZINC000634812024 451566797 /nfs/dbraw/zinc/56/67/97/451566797.db2.gz XRDUQBXZWNSTMQ-HUUCEWRRSA-N 2 2 346.479 1.099 20 0 EDADLP Cc1nc(NCc2ccccc2C[N@H+](C)Cc2ccco2)nc(N)[nH+]1 ZINC000631127609 451598230 /nfs/dbraw/zinc/59/82/30/451598230.db2.gz GTVSCTCFBVWXGZ-UHFFFAOYSA-N 2 2 338.415 2.021 20 0 EDADLP Cc1nc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)nc(N)[nH+]1 ZINC000631127609 451598233 /nfs/dbraw/zinc/59/82/33/451598233.db2.gz GTVSCTCFBVWXGZ-UHFFFAOYSA-N 2 2 338.415 2.021 20 0 EDADLP Cc1nc(N)nc(NCc2ccccc2C[N@H+](C)Cc2ccco2)[nH+]1 ZINC000631127609 451598235 /nfs/dbraw/zinc/59/82/35/451598235.db2.gz GTVSCTCFBVWXGZ-UHFFFAOYSA-N 2 2 338.415 2.021 20 0 EDADLP Cc1nc(N)nc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)[nH+]1 ZINC000631127609 451598237 /nfs/dbraw/zinc/59/82/37/451598237.db2.gz GTVSCTCFBVWXGZ-UHFFFAOYSA-N 2 2 338.415 2.021 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C[NH2+]1 ZINC000638652848 451633440 /nfs/dbraw/zinc/63/34/40/451633440.db2.gz BBYPRWDNBNHYPD-HFTRVMKXSA-N 3 2 341.459 1.058 20 0 EDADLP O=C1[C@H]([NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)CCN1c1ccccc1 ZINC000634994349 451641712 /nfs/dbraw/zinc/64/17/12/451641712.db2.gz ZWMZVQCHDRUMHC-KGXSXCIVSA-N 2 2 340.471 1.162 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635002415 451645385 /nfs/dbraw/zinc/64/53/85/451645385.db2.gz PEXLVBOYKGCOQH-UHFFFAOYSA-N 2 2 329.448 1.430 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000631230593 451652509 /nfs/dbraw/zinc/65/25/09/451652509.db2.gz YXRDYMCSDGMZNO-GOEBONIOSA-N 2 2 325.478 1.351 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000631230593 451652511 /nfs/dbraw/zinc/65/25/11/451652511.db2.gz YXRDYMCSDGMZNO-GOEBONIOSA-N 2 2 325.478 1.351 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCCN(c2nc3ccccc3n3c[nH+]cc23)C1 ZINC000631344187 451703530 /nfs/dbraw/zinc/70/35/30/451703530.db2.gz LYKJLPNKFPVBLD-SFHVURJKSA-N 2 2 325.416 1.775 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000638850292 451710692 /nfs/dbraw/zinc/71/06/92/451710692.db2.gz KMVSVVCEIYFZRT-UHFFFAOYSA-N 2 2 349.456 1.813 20 0 EDADLP C[C@@H]1C[C@H]1c1noc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631365759 451712785 /nfs/dbraw/zinc/71/27/85/451712785.db2.gz VPXVFLFBNPDBBO-VHDGCEQUSA-N 2 2 347.463 1.434 20 0 EDADLP C[C@@H]1C[C@H]1c1noc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631365759 451712790 /nfs/dbraw/zinc/71/27/90/451712790.db2.gz VPXVFLFBNPDBBO-VHDGCEQUSA-N 2 2 347.463 1.434 20 0 EDADLP OC[C@H]1CCC[N@@H+]1Cc1cn(Cc2[nH+]ccn2CC(F)(F)F)nn1 ZINC000641029830 451735244 /nfs/dbraw/zinc/73/52/44/451735244.db2.gz XWGIDBNYGDYLGB-GFCCVEGCSA-N 2 2 344.341 1.042 20 0 EDADLP OC[C@H]1CCC[N@H+]1Cc1cn(Cc2[nH+]ccn2CC(F)(F)F)nn1 ZINC000641029830 451735246 /nfs/dbraw/zinc/73/52/46/451735246.db2.gz XWGIDBNYGDYLGB-GFCCVEGCSA-N 2 2 344.341 1.042 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000638977177 451744152 /nfs/dbraw/zinc/74/41/52/451744152.db2.gz ONQMQSTTWMGPCO-KRWDZBQOSA-N 2 2 329.448 1.545 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000638977177 451744155 /nfs/dbraw/zinc/74/41/55/451744155.db2.gz ONQMQSTTWMGPCO-KRWDZBQOSA-N 2 2 329.448 1.545 20 0 EDADLP Cc1c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cnn1CC(C)C ZINC000638984169 451745628 /nfs/dbraw/zinc/74/56/28/451745628.db2.gz IXLNKUDOFRQGPG-UHFFFAOYSA-N 2 2 342.447 1.904 20 0 EDADLP C[C@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)s1)[NH+]1CCCCC1 ZINC000639036921 451755549 /nfs/dbraw/zinc/75/55/49/451755549.db2.gz FBCZZZOCUMITOW-GFCCVEGCSA-N 2 2 331.507 1.750 20 0 EDADLP CC[C@](C)([NH3+])c1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000641180681 451771420 /nfs/dbraw/zinc/77/14/20/451771420.db2.gz KLLIHGLTRFFTDF-SFHVURJKSA-N 2 2 329.448 1.743 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641214922 451784336 /nfs/dbraw/zinc/78/43/36/451784336.db2.gz KNLDFSHIGCVOHB-KRWDZBQOSA-N 2 2 326.404 1.016 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641214922 451784339 /nfs/dbraw/zinc/78/43/39/451784339.db2.gz KNLDFSHIGCVOHB-KRWDZBQOSA-N 2 2 326.404 1.016 20 0 EDADLP CN(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000641215652 451784896 /nfs/dbraw/zinc/78/48/96/451784896.db2.gz CPWMXSZYGZRENI-VYDXJSESSA-N 3 2 337.512 1.066 20 0 EDADLP CN(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000641215652 451784897 /nfs/dbraw/zinc/78/48/97/451784897.db2.gz CPWMXSZYGZRENI-VYDXJSESSA-N 3 2 337.512 1.066 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639212383 451792658 /nfs/dbraw/zinc/79/26/58/451792658.db2.gz YPSQCPFMISBSLF-LJQANCHMSA-N 2 2 347.503 1.924 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639212383 451792661 /nfs/dbraw/zinc/79/26/61/451792661.db2.gz YPSQCPFMISBSLF-LJQANCHMSA-N 2 2 347.503 1.924 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641268916 451799871 /nfs/dbraw/zinc/79/98/71/451799871.db2.gz YSLBMBBIZRIJPO-UHFFFAOYSA-N 2 2 333.417 1.161 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641277215 451802888 /nfs/dbraw/zinc/80/28/88/451802888.db2.gz UPEGSNDXEAVXOS-UHFFFAOYSA-N 2 2 330.498 1.513 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000644525667 451841760 /nfs/dbraw/zinc/84/17/60/451841760.db2.gz UBKPJZUROWKPJC-FQEVSTJZSA-N 3 2 331.504 1.943 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000644525667 451841763 /nfs/dbraw/zinc/84/17/63/451841763.db2.gz UBKPJZUROWKPJC-FQEVSTJZSA-N 3 2 331.504 1.943 20 0 EDADLP Cc1ccoc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644511874 451831115 /nfs/dbraw/zinc/83/11/15/451831115.db2.gz NEGMSWPDWCYXEV-INIZCTEOSA-N 2 2 334.464 1.898 20 0 EDADLP Cc1ccoc1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644511874 451831123 /nfs/dbraw/zinc/83/11/23/451831123.db2.gz NEGMSWPDWCYXEV-INIZCTEOSA-N 2 2 334.464 1.898 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC000651443601 451831424 /nfs/dbraw/zinc/83/14/24/451831424.db2.gz WZPKTUOCDAVEHX-GOSISDBHSA-N 2 2 329.488 1.934 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000641323708 451847831 /nfs/dbraw/zinc/84/78/31/451847831.db2.gz NTWHFFISFNHJHM-MRXNPFEDSA-N 2 2 349.500 1.437 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000641323708 451847834 /nfs/dbraw/zinc/84/78/34/451847834.db2.gz NTWHFFISFNHJHM-MRXNPFEDSA-N 2 2 349.500 1.437 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000641323708 451847835 /nfs/dbraw/zinc/84/78/35/451847835.db2.gz NTWHFFISFNHJHM-MRXNPFEDSA-N 2 2 349.500 1.437 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CC[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000651477536 451851133 /nfs/dbraw/zinc/85/11/33/451851133.db2.gz BUKLPINADOHEFZ-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000644572208 451868462 /nfs/dbraw/zinc/86/84/62/451868462.db2.gz UABYXDJTLQSFPO-WMZOPIPTSA-N 2 2 336.476 1.601 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000644579868 451873784 /nfs/dbraw/zinc/87/37/84/451873784.db2.gz USMKMMZXSCSKQO-DDBAPUKQSA-N 2 2 331.460 1.078 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000644579868 451873790 /nfs/dbraw/zinc/87/37/90/451873790.db2.gz USMKMMZXSCSKQO-DDBAPUKQSA-N 2 2 331.460 1.078 20 0 EDADLP COCCC1(C)CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000642398973 451874717 /nfs/dbraw/zinc/87/47/17/451874717.db2.gz CIXGLUATSIFAPT-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP COCCC1(C)CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000642398973 451874724 /nfs/dbraw/zinc/87/47/24/451874724.db2.gz CIXGLUATSIFAPT-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000644524537 451841886 /nfs/dbraw/zinc/84/18/86/451841886.db2.gz PHHIHEAQYFPNBV-IBGZPJMESA-N 3 2 333.476 1.064 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000644524537 451841890 /nfs/dbraw/zinc/84/18/90/451841890.db2.gz PHHIHEAQYFPNBV-IBGZPJMESA-N 3 2 333.476 1.064 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000649209205 451905816 /nfs/dbraw/zinc/90/58/16/451905816.db2.gz GVZFAFJJJWSECD-RDJZCZTQSA-N 2 2 332.448 1.159 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639511918 451915908 /nfs/dbraw/zinc/91/59/08/451915908.db2.gz QXQAILOJPLJODY-PMACEKPBSA-N 3 2 331.504 1.897 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639511918 451915911 /nfs/dbraw/zinc/91/59/11/451915911.db2.gz QXQAILOJPLJODY-PMACEKPBSA-N 3 2 331.504 1.897 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000646913663 451930588 /nfs/dbraw/zinc/93/05/88/451930588.db2.gz LBNVLBMMICCJMY-OKZBNKHCSA-N 2 2 329.444 1.050 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000646913663 451930594 /nfs/dbraw/zinc/93/05/94/451930594.db2.gz LBNVLBMMICCJMY-OKZBNKHCSA-N 2 2 329.444 1.050 20 0 EDADLP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000646913663 451930599 /nfs/dbraw/zinc/93/05/99/451930599.db2.gz LBNVLBMMICCJMY-OKZBNKHCSA-N 2 2 329.444 1.050 20 0 EDADLP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000646913663 451930603 /nfs/dbraw/zinc/93/06/03/451930603.db2.gz LBNVLBMMICCJMY-OKZBNKHCSA-N 2 2 329.444 1.050 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639547310 451938682 /nfs/dbraw/zinc/93/86/82/451938682.db2.gz SDBQJNQBWARPSG-QGZVFWFLSA-N 4 2 344.507 1.725 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639547310 451938685 /nfs/dbraw/zinc/93/86/85/451938685.db2.gz SDBQJNQBWARPSG-QGZVFWFLSA-N 4 2 344.507 1.725 20 0 EDADLP CO[C@H]1C[C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000637555460 451942553 /nfs/dbraw/zinc/94/25/53/451942553.db2.gz MTQSJMSNBCGIOL-BHYGNILZSA-N 2 2 338.496 1.221 20 0 EDADLP CO[C@H]1C[C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000637555460 451942559 /nfs/dbraw/zinc/94/25/59/451942559.db2.gz MTQSJMSNBCGIOL-BHYGNILZSA-N 2 2 338.496 1.221 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649272875 451945033 /nfs/dbraw/zinc/94/50/33/451945033.db2.gz LXNGEQWDUSUJIU-NJAFHUGGSA-N 3 2 341.459 1.045 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000649279259 451951499 /nfs/dbraw/zinc/95/14/99/451951499.db2.gz BCIHJSVYFINHHR-JKSUJKDBSA-N 2 2 337.851 1.663 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000649281112 451952855 /nfs/dbraw/zinc/95/28/55/451952855.db2.gz JEGNWPBMSBWRAY-UHFFFAOYSA-N 2 2 340.427 1.769 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)nc(C(C)C)[nH+]1 ZINC000649282216 451954477 /nfs/dbraw/zinc/95/44/77/451954477.db2.gz OAEDLWPCHAXKFX-FOLVSLTJSA-N 2 2 329.448 1.022 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000649283186 451956177 /nfs/dbraw/zinc/95/61/77/451956177.db2.gz UGQRTRKWBWCWKM-PIIMJCKOSA-N 2 2 329.444 1.195 20 0 EDADLP CCC[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1CCOC ZINC000651622189 451968506 /nfs/dbraw/zinc/96/85/06/451968506.db2.gz RDMJGNOYBIDJFW-QGZVFWFLSA-N 2 2 348.491 1.721 20 0 EDADLP CCC[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1CCOC ZINC000651622189 451968512 /nfs/dbraw/zinc/96/85/12/451968512.db2.gz RDMJGNOYBIDJFW-QGZVFWFLSA-N 2 2 348.491 1.721 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])[NH+]2CCOCC2)c1 ZINC000649292636 451969859 /nfs/dbraw/zinc/96/98/59/451969859.db2.gz VAIVPCQRORFDJP-FHWLQOOXSA-N 2 2 345.487 1.860 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639607842 451971183 /nfs/dbraw/zinc/97/11/83/451971183.db2.gz WPNLHWFKSRTVQT-HLNWXESRSA-N 2 2 343.471 1.209 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639607842 451971189 /nfs/dbraw/zinc/97/11/89/451971189.db2.gz WPNLHWFKSRTVQT-HLNWXESRSA-N 2 2 343.471 1.209 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639607842 451971198 /nfs/dbraw/zinc/97/11/98/451971198.db2.gz WPNLHWFKSRTVQT-HLNWXESRSA-N 2 2 343.471 1.209 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639607842 451971204 /nfs/dbraw/zinc/97/12/04/451971204.db2.gz WPNLHWFKSRTVQT-HLNWXESRSA-N 2 2 343.471 1.209 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000641440986 451978779 /nfs/dbraw/zinc/97/87/79/451978779.db2.gz NCMANNXWDFNBEE-UHFFFAOYSA-N 2 2 332.429 1.117 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000641440986 451978784 /nfs/dbraw/zinc/97/87/84/451978784.db2.gz NCMANNXWDFNBEE-UHFFFAOYSA-N 2 2 332.429 1.117 20 0 EDADLP C[N@@H+]1CC[C@](N)(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000649304906 451982188 /nfs/dbraw/zinc/98/21/88/451982188.db2.gz MDZKEXDUTYMYME-LJQANCHMSA-N 2 2 339.443 1.858 20 0 EDADLP C[N@H+]1CC[C@](N)(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000649304906 451982196 /nfs/dbraw/zinc/98/21/96/451982196.db2.gz MDZKEXDUTYMYME-LJQANCHMSA-N 2 2 339.443 1.858 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCc3noc4ccccc43)CCO2)CC1 ZINC000653551189 452013211 /nfs/dbraw/zinc/01/32/11/452013211.db2.gz DYHGPEITHHYYKY-MRXNPFEDSA-N 2 2 344.459 1.319 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCc3noc4ccccc43)CCO2)CC1 ZINC000653551189 452013218 /nfs/dbraw/zinc/01/32/18/452013218.db2.gz DYHGPEITHHYYKY-MRXNPFEDSA-N 2 2 344.459 1.319 20 0 EDADLP COc1cc(OC)c(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1F ZINC000651685852 452014135 /nfs/dbraw/zinc/01/41/35/452014135.db2.gz GYBFYAKFOLCAOP-UHFFFAOYSA-N 2 2 326.412 1.779 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653570598 452021049 /nfs/dbraw/zinc/02/10/49/452021049.db2.gz WXEXEAAYKAPMJX-QGZVFWFLSA-N 2 2 342.443 1.609 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653570598 452021054 /nfs/dbraw/zinc/02/10/54/452021054.db2.gz WXEXEAAYKAPMJX-QGZVFWFLSA-N 2 2 342.443 1.609 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000653581105 452024944 /nfs/dbraw/zinc/02/49/44/452024944.db2.gz XRAMFNQIIUDVTP-UHFFFAOYSA-N 2 2 346.479 1.851 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)CC2)s1 ZINC000649352612 452037652 /nfs/dbraw/zinc/03/76/52/452037652.db2.gz ZZPLJUKMCOUNMX-CYBMUJFWSA-N 2 2 344.431 1.341 20 0 EDADLP C[C@H](CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C[NH+](C)C ZINC000641508962 452040840 /nfs/dbraw/zinc/04/08/40/452040840.db2.gz UNLKUTZQJQNFHH-CYBMUJFWSA-N 2 2 325.478 1.151 20 0 EDADLP C[C@H](CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C[NH+](C)C ZINC000641508962 452040843 /nfs/dbraw/zinc/04/08/43/452040843.db2.gz UNLKUTZQJQNFHH-CYBMUJFWSA-N 2 2 325.478 1.151 20 0 EDADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C[NH3+])OC ZINC000649379237 452052400 /nfs/dbraw/zinc/05/24/00/452052400.db2.gz UZSUTGMABDNPIT-QGTPRVQTSA-N 2 2 348.491 1.423 20 0 EDADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C[NH3+])OC ZINC000649379237 452052405 /nfs/dbraw/zinc/05/24/05/452052405.db2.gz UZSUTGMABDNPIT-QGTPRVQTSA-N 2 2 348.491 1.423 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[C@H](C)[N@H+]1C ZINC000641527602 452058796 /nfs/dbraw/zinc/05/87/96/452058796.db2.gz AUWIGINNKUDMNN-OKILXGFUSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[C@H](C)[N@@H+]1C ZINC000641527602 452058799 /nfs/dbraw/zinc/05/87/99/452058799.db2.gz AUWIGINNKUDMNN-OKILXGFUSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[C@H](C)[NH+]1C ZINC000641527602 452058802 /nfs/dbraw/zinc/05/88/02/452058802.db2.gz AUWIGINNKUDMNN-OKILXGFUSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[C@H](C)[NH+]1C ZINC000641527602 452058805 /nfs/dbraw/zinc/05/88/05/452058805.db2.gz AUWIGINNKUDMNN-OKILXGFUSA-N 2 2 337.489 1.388 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000653686963 452078043 /nfs/dbraw/zinc/07/80/43/452078043.db2.gz HEEDGPPWDNDHMC-GJZGRUSLSA-N 2 2 340.427 1.801 20 0 EDADLP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000637804635 452090518 /nfs/dbraw/zinc/09/05/18/452090518.db2.gz QTONIMOVIGOHRH-UKRRQHHQSA-N 2 2 328.416 1.579 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000641566400 452096817 /nfs/dbraw/zinc/09/68/17/452096817.db2.gz CWOIQNLXPWWRPJ-OTVXOJSOSA-N 2 2 337.489 1.293 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000641566400 452096821 /nfs/dbraw/zinc/09/68/21/452096821.db2.gz CWOIQNLXPWWRPJ-OTVXOJSOSA-N 2 2 337.489 1.293 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768115 452109544 /nfs/dbraw/zinc/10/95/44/452109544.db2.gz XKPAIHAJUITQDF-JFIYKMOQSA-N 2 2 325.497 1.555 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768115 452109551 /nfs/dbraw/zinc/10/95/51/452109551.db2.gz XKPAIHAJUITQDF-JFIYKMOQSA-N 2 2 325.497 1.555 20 0 EDADLP C[N@@H+]1CCC[C@H]1CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000649537386 452133994 /nfs/dbraw/zinc/13/39/94/452133994.db2.gz DIZUDZHKVHOJQX-INIZCTEOSA-N 2 2 348.466 1.267 20 0 EDADLP C[N@H+]1CCC[C@H]1CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000649537386 452133999 /nfs/dbraw/zinc/13/39/99/452133999.db2.gz DIZUDZHKVHOJQX-INIZCTEOSA-N 2 2 348.466 1.267 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccncc1Cl ZINC000643346188 452144124 /nfs/dbraw/zinc/14/41/24/452144124.db2.gz IUCPSFRULAAJPV-CABCVRRESA-N 2 2 338.883 1.792 20 0 EDADLP CC(C)Oc1ccnc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000649572611 452151319 /nfs/dbraw/zinc/15/13/19/452151319.db2.gz BRHUSGLQBMPMLI-UHFFFAOYSA-N 2 2 349.475 1.528 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645107537 452155461 /nfs/dbraw/zinc/15/54/61/452155461.db2.gz RNTLJJQAXWACIA-ZIAGYGMSSA-N 2 2 326.404 1.267 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000651929235 452174378 /nfs/dbraw/zinc/17/43/78/452174378.db2.gz IRQQUFNKYGXJPU-MRXNPFEDSA-N 2 2 326.400 1.837 20 0 EDADLP CC[C@@H](C)C[C@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000647336737 452180414 /nfs/dbraw/zinc/18/04/14/452180414.db2.gz FRVROSIJZPCFMF-SJLPKXTDSA-N 2 2 327.513 1.170 20 0 EDADLP CC[C@@H](C)C[C@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000647336737 452180423 /nfs/dbraw/zinc/18/04/23/452180423.db2.gz FRVROSIJZPCFMF-SJLPKXTDSA-N 2 2 327.513 1.170 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccc(F)cn3)CC2)CC1 ZINC000639869525 452205710 /nfs/dbraw/zinc/20/57/10/452205710.db2.gz LSKHNLUFCLYVFH-OAHLLOKOSA-N 2 2 348.466 1.953 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000645220429 452217386 /nfs/dbraw/zinc/21/73/86/452217386.db2.gz IEHMJCHMVQEMRW-MRXNPFEDSA-N 2 2 331.460 1.647 20 0 EDADLP Cc1nc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(C)c(C)[nH+]1 ZINC000641718907 452217638 /nfs/dbraw/zinc/21/76/38/452217638.db2.gz DKEKDSOHJWJNNP-KRWDZBQOSA-N 2 2 333.480 1.610 20 0 EDADLP Cc1nc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(C)c(C)[nH+]1 ZINC000641718907 452217643 /nfs/dbraw/zinc/21/76/43/452217643.db2.gz DKEKDSOHJWJNNP-KRWDZBQOSA-N 2 2 333.480 1.610 20 0 EDADLP Cn1cc[nH+]c1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000649748827 452228807 /nfs/dbraw/zinc/22/88/07/452228807.db2.gz GKLCWXVPGWLVTR-ROUUACIJSA-N 2 2 326.444 1.895 20 0 EDADLP Cn1cc[nH+]c1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000649748827 452228810 /nfs/dbraw/zinc/22/88/10/452228810.db2.gz GKLCWXVPGWLVTR-ROUUACIJSA-N 2 2 326.444 1.895 20 0 EDADLP Cn1cc[nH+]c1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000649748826 452229148 /nfs/dbraw/zinc/22/91/48/452229148.db2.gz GKLCWXVPGWLVTR-QZTJIDSGSA-N 2 2 326.444 1.895 20 0 EDADLP Cn1cc[nH+]c1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000649748826 452229154 /nfs/dbraw/zinc/22/91/54/452229154.db2.gz GKLCWXVPGWLVTR-QZTJIDSGSA-N 2 2 326.444 1.895 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645237264 452229574 /nfs/dbraw/zinc/22/95/74/452229574.db2.gz LKRZBKCUUUJOPJ-UHFFFAOYSA-N 2 2 326.404 1.690 20 0 EDADLP COCCOCC[NH+]1CCN(Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000652062284 452254797 /nfs/dbraw/zinc/25/47/97/452254797.db2.gz FFPGEAKBLPQJJP-UHFFFAOYSA-N 2 2 332.448 1.423 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccncc1 ZINC000641785345 452255507 /nfs/dbraw/zinc/25/55/07/452255507.db2.gz IEXQNIJJVCIOQO-RBUKOAKNSA-N 2 2 332.492 1.919 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)C[C@H]21 ZINC000643503593 452270669 /nfs/dbraw/zinc/27/06/69/452270669.db2.gz ICYCNNUQYDCCKK-KBUPBQIOSA-N 2 2 345.447 1.049 20 0 EDADLP Cn1c(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc2ccccc21 ZINC000638025599 452273447 /nfs/dbraw/zinc/27/34/47/452273447.db2.gz ZPKGEPCANAHNQP-UHFFFAOYSA-N 2 2 340.471 1.918 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661513108 452320373 /nfs/dbraw/zinc/32/03/73/452320373.db2.gz MDOINYOWRJNEBQ-PMPSAXMXSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661513108 452320382 /nfs/dbraw/zinc/32/03/82/452320382.db2.gz MDOINYOWRJNEBQ-PMPSAXMXSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H](C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CCOC1 ZINC000657540236 452323742 /nfs/dbraw/zinc/32/37/42/452323742.db2.gz FRRLCMDZYOOKMH-ROUUACIJSA-N 2 2 340.508 1.910 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC/C=C\C[NH3+])CC2)cc1 ZINC000641865521 452331498 /nfs/dbraw/zinc/33/14/98/452331498.db2.gz WVGFKHPGFNSJAX-ARJAWSKDSA-N 2 2 332.448 1.427 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC/C=C\C[NH3+])[C@@H](C)C1 ZINC000641867591 452333491 /nfs/dbraw/zinc/33/34/91/452333491.db2.gz SKOUELIUZMYRPS-WLMCBFPDSA-N 2 2 346.475 1.816 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC/C=C\C[NH3+])[C@@H](C)C1 ZINC000641867591 452333500 /nfs/dbraw/zinc/33/35/00/452333500.db2.gz SKOUELIUZMYRPS-WLMCBFPDSA-N 2 2 346.475 1.816 20 0 EDADLP CCCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645387903 452361896 /nfs/dbraw/zinc/36/18/96/452361896.db2.gz MTXBKIBJJUIZLT-HZPDHXFCSA-N 2 2 331.464 1.786 20 0 EDADLP CCCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645387903 452361903 /nfs/dbraw/zinc/36/19/03/452361903.db2.gz MTXBKIBJJUIZLT-HZPDHXFCSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@H](CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C[NH+]1CCOCC1 ZINC000663642518 452387213 /nfs/dbraw/zinc/38/72/13/452387213.db2.gz ANRAIMGHTLGRTA-OAHLLOKOSA-N 2 2 349.479 1.208 20 0 EDADLP C[C@H](CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1)C[NH+]1CCOCC1 ZINC000663642518 452387220 /nfs/dbraw/zinc/38/72/20/452387220.db2.gz ANRAIMGHTLGRTA-OAHLLOKOSA-N 2 2 349.479 1.208 20 0 EDADLP C[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)Cn1cc[nH+]c1 ZINC000638076422 452389338 /nfs/dbraw/zinc/38/93/38/452389338.db2.gz KMWFTNJNYDPYPU-RDJZCZTQSA-N 2 2 329.448 1.095 20 0 EDADLP C[C@@H](CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)Cn1cc[nH+]c1 ZINC000638076422 452389343 /nfs/dbraw/zinc/38/93/43/452389343.db2.gz KMWFTNJNYDPYPU-RDJZCZTQSA-N 2 2 329.448 1.095 20 0 EDADLP C[C@@H](CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1)OCc1ccccc1 ZINC000640051738 452394889 /nfs/dbraw/zinc/39/48/89/452394889.db2.gz YFMGZTIOJSBVBY-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP C[C@@H](CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)OCc1ccccc1 ZINC000640051738 452394899 /nfs/dbraw/zinc/39/48/99/452394899.db2.gz YFMGZTIOJSBVBY-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP [NH3+]C1(CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCCC1 ZINC000659573699 452429604 /nfs/dbraw/zinc/42/96/04/452429604.db2.gz PGNRZCJHVRSELX-UHFFFAOYSA-N 2 2 334.439 1.924 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(CC[NH+](C)C)C2CC2)cc1 ZINC000640126078 452448843 /nfs/dbraw/zinc/44/88/43/452448843.db2.gz BGLLUGQCSKATMR-GOSISDBHSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(CC[NH+](C)C)C2CC2)cc1 ZINC000640126078 452448850 /nfs/dbraw/zinc/44/88/50/452448850.db2.gz BGLLUGQCSKATMR-GOSISDBHSA-N 2 2 331.460 1.822 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)(C)CO ZINC000663717646 452454443 /nfs/dbraw/zinc/45/44/43/452454443.db2.gz XJJREJPIDFNSSX-ILXRZTDVSA-N 2 2 349.479 1.406 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(C)(C)CO ZINC000663717646 452454447 /nfs/dbraw/zinc/45/44/47/452454447.db2.gz XJJREJPIDFNSSX-ILXRZTDVSA-N 2 2 349.479 1.406 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@H+]3C[C@@H](C)OC[C@H]3C)cn2c1 ZINC000663762237 452490673 /nfs/dbraw/zinc/49/06/73/452490673.db2.gz HHQQLNKKPSUEPC-HUUCEWRRSA-N 2 2 345.447 1.551 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@@H+]3C[C@@H](C)OC[C@H]3C)cn2c1 ZINC000663762237 452490683 /nfs/dbraw/zinc/49/06/83/452490683.db2.gz HHQQLNKKPSUEPC-HUUCEWRRSA-N 2 2 345.447 1.551 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752846 452501519 /nfs/dbraw/zinc/50/15/19/452501519.db2.gz SOLGEHHKALEVED-IBGZPJMESA-N 3 2 341.459 1.919 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661712120 452516018 /nfs/dbraw/zinc/51/60/18/452516018.db2.gz OAWGKFPQMZILPB-HKUYNNGSSA-N 2 2 336.476 1.598 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661712120 452516022 /nfs/dbraw/zinc/51/60/22/452516022.db2.gz OAWGKFPQMZILPB-HKUYNNGSSA-N 2 2 336.476 1.598 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661712120 452516025 /nfs/dbraw/zinc/51/60/25/452516025.db2.gz OAWGKFPQMZILPB-HKUYNNGSSA-N 2 2 336.476 1.598 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661712120 452516029 /nfs/dbraw/zinc/51/60/29/452516029.db2.gz OAWGKFPQMZILPB-HKUYNNGSSA-N 2 2 336.476 1.598 20 0 EDADLP OCCn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655698767 452518792 /nfs/dbraw/zinc/51/87/92/452518792.db2.gz XWDBAWJTOCAFFK-RDJZCZTQSA-N 2 2 334.464 1.096 20 0 EDADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)[C@H]1CC[NH3+] ZINC000652353569 452531864 /nfs/dbraw/zinc/53/18/64/452531864.db2.gz QXBYLSQXIQLYSJ-HIFRSBDPSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)[C@H]1CC[NH3+] ZINC000652353569 452531876 /nfs/dbraw/zinc/53/18/76/452531876.db2.gz QXBYLSQXIQLYSJ-HIFRSBDPSA-N 2 2 333.432 1.846 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000652354860 452532502 /nfs/dbraw/zinc/53/25/02/452532502.db2.gz JWVPZUIIFBZPKP-QILLFSRXSA-N 2 2 346.475 1.039 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000652354860 452532509 /nfs/dbraw/zinc/53/25/09/452532509.db2.gz JWVPZUIIFBZPKP-QILLFSRXSA-N 2 2 346.475 1.039 20 0 EDADLP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655715320 452535729 /nfs/dbraw/zinc/53/57/29/452535729.db2.gz JMZFOMOPFHMPLA-ZWKOTPCHSA-N 2 2 343.471 1.914 20 0 EDADLP Fc1cccnc1N1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655722992 452536434 /nfs/dbraw/zinc/53/64/34/452536434.db2.gz KRGAQONVOXDJDV-JKSUJKDBSA-N 2 2 334.439 1.642 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H]1C[NH3+] ZINC000652357479 452536659 /nfs/dbraw/zinc/53/66/59/452536659.db2.gz RPFPARRFPBJFKP-JHJVBQTASA-N 2 2 337.386 1.083 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H]1C[NH3+] ZINC000652357479 452536668 /nfs/dbraw/zinc/53/66/68/452536668.db2.gz RPFPARRFPBJFKP-JHJVBQTASA-N 2 2 337.386 1.083 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2ccccc2C)C[C@H]1C[NH3+] ZINC000652357318 452537314 /nfs/dbraw/zinc/53/73/14/452537314.db2.gz JOIHEFNFSISYHT-CGTJXYLNSA-N 2 2 333.476 1.338 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCc2ccccc2C)C[C@H]1C[NH3+] ZINC000652357318 452537320 /nfs/dbraw/zinc/53/73/20/452537320.db2.gz JOIHEFNFSISYHT-CGTJXYLNSA-N 2 2 333.476 1.338 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000652358232 452540307 /nfs/dbraw/zinc/54/03/07/452540307.db2.gz NDRRQVSNKRQEIK-SJLPKXTDSA-N 2 2 349.475 1.339 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000652358232 452540315 /nfs/dbraw/zinc/54/03/15/452540315.db2.gz NDRRQVSNKRQEIK-SJLPKXTDSA-N 2 2 349.475 1.339 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657806662 452543345 /nfs/dbraw/zinc/54/33/45/452543345.db2.gz RCXJKBAYEJZPGM-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657806662 452543353 /nfs/dbraw/zinc/54/33/53/452543353.db2.gz RCXJKBAYEJZPGM-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP C1C[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)CC2)CO1 ZINC000655734909 452547298 /nfs/dbraw/zinc/54/72/98/452547298.db2.gz PLXJXAOGFNTUIW-IKGGRYGDSA-N 2 2 326.506 1.884 20 0 EDADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)Cn3cncn3)CC2)c1 ZINC000657825960 452552650 /nfs/dbraw/zinc/55/26/50/452552650.db2.gz CIJFPMGRCFVSRL-GOSISDBHSA-N 2 2 342.491 1.777 20 0 EDADLP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc12 ZINC000655744588 452554970 /nfs/dbraw/zinc/55/49/70/452554970.db2.gz RZXYTRFYWZCESG-INIZCTEOSA-N 2 2 329.448 1.620 20 0 EDADLP O=C1NCCc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc21 ZINC000655754260 452558550 /nfs/dbraw/zinc/55/85/50/452558550.db2.gz OISKISDCNNLUTB-GOSISDBHSA-N 2 2 343.471 1.706 20 0 EDADLP C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CS1 ZINC000655767419 452566713 /nfs/dbraw/zinc/56/67/13/452566713.db2.gz UZIWDBZVZDFXSV-MGLUKCQKSA-N 2 2 325.522 1.944 20 0 EDADLP C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CS1 ZINC000655767419 452566720 /nfs/dbraw/zinc/56/67/20/452566720.db2.gz UZIWDBZVZDFXSV-MGLUKCQKSA-N 2 2 325.522 1.944 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000657855602 452569830 /nfs/dbraw/zinc/56/98/30/452569830.db2.gz FNTPXCRWUITKAL-LLVKDONJSA-N 2 2 341.253 1.269 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2cnccc2o1 ZINC000657884511 452589452 /nfs/dbraw/zinc/58/94/52/452589452.db2.gz UQZUZYBLITZIQQ-DOTOQJQBSA-N 2 2 344.459 1.885 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CCC[C@H]([NH2+]C(C)C)C3)cc2[nH+]1 ZINC000657881792 452590160 /nfs/dbraw/zinc/59/01/60/452590160.db2.gz VSFGKDFOYFOXNG-HNNXBMFYSA-N 2 2 343.431 1.570 20 0 EDADLP Cn1nnc2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000655830186 452601490 /nfs/dbraw/zinc/60/14/90/452601490.db2.gz UHXAZPJOZGYDBC-MRXNPFEDSA-N 2 2 326.448 1.322 20 0 EDADLP C[C@@H](Cc1ccccn1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000655836048 452604308 /nfs/dbraw/zinc/60/43/08/452604308.db2.gz BKAVKIGVWKUZBK-KRWDZBQOSA-N 2 2 332.492 1.399 20 0 EDADLP C[C@@H](Cc1ccccn1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000655836048 452604315 /nfs/dbraw/zinc/60/43/15/452604315.db2.gz BKAVKIGVWKUZBK-KRWDZBQOSA-N 2 2 332.492 1.399 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCOC(C)(C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000663899775 452629507 /nfs/dbraw/zinc/62/95/07/452629507.db2.gz ONLOQNARAJBMIU-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663899775 452629518 /nfs/dbraw/zinc/62/95/18/452629518.db2.gz ONLOQNARAJBMIU-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000663899775 452629525 /nfs/dbraw/zinc/62/95/25/452629525.db2.gz ONLOQNARAJBMIU-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH+](CC)C1 ZINC000663899775 452629533 /nfs/dbraw/zinc/62/95/33/452629533.db2.gz ONLOQNARAJBMIU-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657956976 452635680 /nfs/dbraw/zinc/63/56/80/452635680.db2.gz DIWDXXSXYBOLOH-ZDUSSCGKSA-N 2 2 345.447 1.818 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657956976 452635684 /nfs/dbraw/zinc/63/56/84/452635684.db2.gz DIWDXXSXYBOLOH-ZDUSSCGKSA-N 2 2 345.447 1.818 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903853 452645883 /nfs/dbraw/zinc/64/58/83/452645883.db2.gz QXWPBPXTGQGBBO-RDJZCZTQSA-N 2 2 326.444 1.861 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903853 452645897 /nfs/dbraw/zinc/64/58/97/452645897.db2.gz QXWPBPXTGQGBBO-RDJZCZTQSA-N 2 2 326.444 1.861 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926629 452663830 /nfs/dbraw/zinc/66/38/30/452663830.db2.gz HDLCGYGIUXRPEE-OAHLLOKOSA-N 2 2 346.475 1.560 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000647936879 452677312 /nfs/dbraw/zinc/67/73/12/452677312.db2.gz MQSJNOKKKIBOGN-WBMJQRKESA-N 2 2 325.403 1.683 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)CC[C@@H]1[NH3+] ZINC000647936879 452677316 /nfs/dbraw/zinc/67/73/16/452677316.db2.gz MQSJNOKKKIBOGN-WBMJQRKESA-N 2 2 325.403 1.683 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)Cc1cn3c([nH+]1)CCCC3)CCO2 ZINC000652493982 452688706 /nfs/dbraw/zinc/68/87/06/452688706.db2.gz RTTPEMXAJLQXJY-UHFFFAOYSA-N 2 2 332.448 1.085 20 0 EDADLP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000664007916 452707326 /nfs/dbraw/zinc/70/73/26/452707326.db2.gz USHFOGDOFBOVLR-LSDHHAIUSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000664007916 452707335 /nfs/dbraw/zinc/70/73/35/452707335.db2.gz USHFOGDOFBOVLR-LSDHHAIUSA-N 2 2 328.501 1.515 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647965615 452709829 /nfs/dbraw/zinc/70/98/29/452709829.db2.gz CLSBRCZMUQHWLU-KRWDZBQOSA-N 3 2 327.513 1.264 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647965615 452709821 /nfs/dbraw/zinc/70/98/21/452709821.db2.gz CLSBRCZMUQHWLU-KRWDZBQOSA-N 3 2 327.513 1.264 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000659828517 452716426 /nfs/dbraw/zinc/71/64/26/452716426.db2.gz FDXNXRDUVYTCAC-KDURUIRLSA-N 2 2 347.503 1.792 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000659828517 452716434 /nfs/dbraw/zinc/71/64/34/452716434.db2.gz FDXNXRDUVYTCAC-KDURUIRLSA-N 2 2 347.503 1.792 20 0 EDADLP CC[C@@H](C(=O)NCCC[NH+](C)CC(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000652523171 452722403 /nfs/dbraw/zinc/72/24/03/452722403.db2.gz IBKRUZRCGBAEQK-SJORKVTESA-N 2 2 327.513 1.970 20 0 EDADLP CC[C@@H](C(=O)NCCC[NH+](C)CC(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000652523171 452722409 /nfs/dbraw/zinc/72/24/09/452722409.db2.gz IBKRUZRCGBAEQK-SJORKVTESA-N 2 2 327.513 1.970 20 0 EDADLP CC[C@@H](C(=O)NCCC[N@H+](C)CC(C)C)[NH+]1CCO[C@H](CC)C1 ZINC000652523171 452722414 /nfs/dbraw/zinc/72/24/14/452722414.db2.gz IBKRUZRCGBAEQK-SJORKVTESA-N 2 2 327.513 1.970 20 0 EDADLP CC[C@@H](C(=O)NCCC[N@@H+](C)CC(C)C)[NH+]1CCO[C@H](CC)C1 ZINC000652523171 452722417 /nfs/dbraw/zinc/72/24/17/452722417.db2.gz IBKRUZRCGBAEQK-SJORKVTESA-N 2 2 327.513 1.970 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000659839066 452725275 /nfs/dbraw/zinc/72/52/75/452725275.db2.gz UGCWHGNJDHKLEW-UHFFFAOYSA-N 2 2 343.443 1.763 20 0 EDADLP Cc1ccncc1CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658124416 452737751 /nfs/dbraw/zinc/73/77/51/452737751.db2.gz AMXCSJJJBWMUQT-UHFFFAOYSA-N 2 2 332.492 1.319 20 0 EDADLP Cc1ccncc1CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658124416 452737758 /nfs/dbraw/zinc/73/77/58/452737758.db2.gz AMXCSJJJBWMUQT-UHFFFAOYSA-N 2 2 332.492 1.319 20 0 EDADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000659876412 452752398 /nfs/dbraw/zinc/75/23/98/452752398.db2.gz AQJKVRURDFJXBG-INIZCTEOSA-N 2 2 336.480 1.468 20 0 EDADLP CN1CC(=O)N(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000659876412 452752404 /nfs/dbraw/zinc/75/24/04/452752404.db2.gz AQJKVRURDFJXBG-INIZCTEOSA-N 2 2 336.480 1.468 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc(F)cc1F ZINC000664092410 452783428 /nfs/dbraw/zinc/78/34/28/452783428.db2.gz WUAKMAAKTCDLSZ-UHFFFAOYSA-N 2 2 342.434 1.690 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc(F)cc1F ZINC000664092410 452783432 /nfs/dbraw/zinc/78/34/32/452783432.db2.gz WUAKMAAKTCDLSZ-UHFFFAOYSA-N 2 2 342.434 1.690 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662037239 452791295 /nfs/dbraw/zinc/79/12/95/452791295.db2.gz VMKZCUUUYQIRGU-DLBZAZTESA-N 2 2 349.500 1.361 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2COC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662037239 452791302 /nfs/dbraw/zinc/79/13/02/452791302.db2.gz VMKZCUUUYQIRGU-DLBZAZTESA-N 2 2 349.500 1.361 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662039299 452794931 /nfs/dbraw/zinc/79/49/31/452794931.db2.gz OUKUGYMTCDQVPI-RTBURBONSA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2COC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662039299 452794937 /nfs/dbraw/zinc/79/49/37/452794937.db2.gz OUKUGYMTCDQVPI-RTBURBONSA-N 2 2 343.471 1.299 20 0 EDADLP COCC1(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000664130614 452811708 /nfs/dbraw/zinc/81/17/08/452811708.db2.gz PMHRTWQHVUTLAS-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP COCC1(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000664130614 452811713 /nfs/dbraw/zinc/81/17/13/452811713.db2.gz PMHRTWQHVUTLAS-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP CN(CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000645838382 452836439 /nfs/dbraw/zinc/83/64/39/452836439.db2.gz QFSFBEVEBHUVEP-LJQANCHMSA-N 2 2 344.503 1.927 20 0 EDADLP CN(CCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000645838382 452836443 /nfs/dbraw/zinc/83/64/43/452836443.db2.gz QFSFBEVEBHUVEP-LJQANCHMSA-N 2 2 344.503 1.927 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)c3[nH+]ccn3C)CC2)c1 ZINC000662102542 452842983 /nfs/dbraw/zinc/84/29/83/452842983.db2.gz XCUGVGCNINTSBC-AWEZNQCLSA-N 2 2 328.420 1.716 20 0 EDADLP c1nc(N2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000659952085 452848575 /nfs/dbraw/zinc/84/85/75/452848575.db2.gz PKTZNPVEPUDPLW-BJWYYQGGSA-N 2 2 343.475 1.481 20 0 EDADLP CCC[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000656089057 452855581 /nfs/dbraw/zinc/85/55/81/452855581.db2.gz UKKGNAYTZOOFPV-DLBZAZTESA-N 2 2 340.512 1.611 20 0 EDADLP CCC[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000656089057 452855593 /nfs/dbraw/zinc/85/55/93/452855593.db2.gz UKKGNAYTZOOFPV-DLBZAZTESA-N 2 2 340.512 1.611 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C3CC3)nn2C)[C@H](C)C1 ZINC000645861120 452857648 /nfs/dbraw/zinc/85/76/48/452857648.db2.gz YWRXIZYJWDWKIB-ZBFHGGJFSA-N 2 2 335.496 1.919 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc(C3CC3)nn2C)[C@H](C)C1 ZINC000645861120 452857655 /nfs/dbraw/zinc/85/76/55/452857655.db2.gz YWRXIZYJWDWKIB-ZBFHGGJFSA-N 2 2 335.496 1.919 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)[C@@](C)(CO)C3)c2cc1C ZINC000662133432 452866210 /nfs/dbraw/zinc/86/62/10/452866210.db2.gz FFWSKZOCQTUBMB-GPMSIDNRSA-N 2 2 331.460 1.964 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)[C@@](C)(CO)C3)c2cc1C ZINC000662133432 452866218 /nfs/dbraw/zinc/86/62/18/452866218.db2.gz FFWSKZOCQTUBMB-GPMSIDNRSA-N 2 2 331.460 1.964 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000648166808 452877450 /nfs/dbraw/zinc/87/74/50/452877450.db2.gz VPLZRPAWXKFRJE-NWGLXNPWSA-N 2 2 343.471 1.583 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000648166808 452877454 /nfs/dbraw/zinc/87/74/54/452877454.db2.gz VPLZRPAWXKFRJE-NWGLXNPWSA-N 2 2 343.471 1.583 20 0 EDADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000648174465 452884466 /nfs/dbraw/zinc/88/44/66/452884466.db2.gz VOXNWOQQWXJVMB-QXSJWSMHSA-N 2 2 342.443 1.412 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)cn21 ZINC000645930641 452906886 /nfs/dbraw/zinc/90/68/86/452906886.db2.gz GOHGEBJAZXZNAA-DOTOQJQBSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)cn21 ZINC000645930641 452906891 /nfs/dbraw/zinc/90/68/91/452906891.db2.gz GOHGEBJAZXZNAA-DOTOQJQBSA-N 2 2 341.459 1.921 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652813183 452973604 /nfs/dbraw/zinc/97/36/04/452973604.db2.gz ZGADPWKTFTXQKV-ROUUACIJSA-N 2 2 340.427 1.385 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652813183 452973613 /nfs/dbraw/zinc/97/36/13/452973613.db2.gz ZGADPWKTFTXQKV-ROUUACIJSA-N 2 2 340.427 1.385 20 0 EDADLP Cc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662257394 452986047 /nfs/dbraw/zinc/98/60/47/452986047.db2.gz NMDKWMOGUYZZPT-KRWDZBQOSA-N 2 2 344.459 1.666 20 0 EDADLP CN(c1nc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cs1)C1CC1 ZINC000662266855 452997301 /nfs/dbraw/zinc/99/73/01/452997301.db2.gz PTUQFZHSWOSGGA-HNNXBMFYSA-N 2 2 349.504 1.138 20 0 EDADLP CN(c1nc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cs1)C1CC1 ZINC000662266855 452997309 /nfs/dbraw/zinc/99/73/09/452997309.db2.gz PTUQFZHSWOSGGA-HNNXBMFYSA-N 2 2 349.504 1.138 20 0 EDADLP CO[C@@H](C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1)C1CCCC1 ZINC000662276529 453001583 /nfs/dbraw/zinc/00/15/83/453001583.db2.gz JUEXLEPCMVLDAB-INIZCTEOSA-N 2 2 333.480 1.766 20 0 EDADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCC1(c2ccccc2)CCCC1 ZINC000662286031 453008881 /nfs/dbraw/zinc/00/88/81/453008881.db2.gz QGTBAHLPRLHSRI-UHFFFAOYSA-N 2 2 345.487 1.319 20 0 EDADLP [NH3+]C1CCC(OCC(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000646034029 453033302 /nfs/dbraw/zinc/03/33/02/453033302.db2.gz YOXNXTPQPHEXAQ-UHFFFAOYSA-N 2 2 342.443 2.049 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319902 453036258 /nfs/dbraw/zinc/03/62/58/453036258.db2.gz QCSLNBHEHNIAMN-IEBWSBKVSA-N 2 2 347.503 1.776 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319902 453036263 /nfs/dbraw/zinc/03/62/63/453036263.db2.gz QCSLNBHEHNIAMN-IEBWSBKVSA-N 2 2 347.503 1.776 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](Cc2ccccc2)C1 ZINC000652882081 453039560 /nfs/dbraw/zinc/03/95/60/453039560.db2.gz LADWCQIZKDMYCK-ZWKOTPCHSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](Cc2ccccc2)C1 ZINC000652882081 453039567 /nfs/dbraw/zinc/03/95/67/453039567.db2.gz LADWCQIZKDMYCK-ZWKOTPCHSA-N 2 2 338.455 1.831 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000664395704 453059599 /nfs/dbraw/zinc/05/95/99/453059599.db2.gz IYNZHNSMLCQVLO-YESZJQIVSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000664395704 453059607 /nfs/dbraw/zinc/05/96/07/453059607.db2.gz IYNZHNSMLCQVLO-YESZJQIVSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000664395704 453059614 /nfs/dbraw/zinc/05/96/14/453059614.db2.gz IYNZHNSMLCQVLO-YESZJQIVSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000664395704 453059626 /nfs/dbraw/zinc/05/96/26/453059626.db2.gz IYNZHNSMLCQVLO-YESZJQIVSA-N 2 2 340.512 1.373 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000662351998 453068108 /nfs/dbraw/zinc/06/81/08/453068108.db2.gz LRTTUIKIVDAZQF-INIZCTEOSA-N 2 2 339.867 1.861 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cccc2c1C[NH2+]C2 ZINC000662363602 453074324 /nfs/dbraw/zinc/07/43/24/453074324.db2.gz DHGRQBJFDOIEKB-UHFFFAOYSA-N 2 2 338.411 1.451 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000662372505 453082001 /nfs/dbraw/zinc/08/20/01/453082001.db2.gz UHJUKEUTZQBWPZ-CVEARBPZSA-N 2 2 346.431 1.641 20 0 EDADLP CC(C)CNC(=O)CCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000660152885 453084720 /nfs/dbraw/zinc/08/47/20/453084720.db2.gz CCEOZCXQQUVOBG-ZWKOTPCHSA-N 2 2 338.540 1.497 20 0 EDADLP CC(C)CNC(=O)CCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000660152885 453084730 /nfs/dbraw/zinc/08/47/30/453084730.db2.gz CCEOZCXQQUVOBG-ZWKOTPCHSA-N 2 2 338.540 1.497 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(C)[nH+]1 ZINC000656340639 453101950 /nfs/dbraw/zinc/10/19/50/453101950.db2.gz RPCBKLADSDZSBM-IAGOWNOFSA-N 2 2 344.459 1.448 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(C)[nH+]1 ZINC000656340639 453101956 /nfs/dbraw/zinc/10/19/56/453101956.db2.gz RPCBKLADSDZSBM-IAGOWNOFSA-N 2 2 344.459 1.448 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103269 453104492 /nfs/dbraw/zinc/10/44/92/453104492.db2.gz MZJZYJVGIGTYBM-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103269 453104502 /nfs/dbraw/zinc/10/45/02/453104502.db2.gz MZJZYJVGIGTYBM-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCCC[C@H]1C1CCC1)[NH+]1CCOCC1 ZINC000646137438 453147022 /nfs/dbraw/zinc/14/70/22/453147022.db2.gz GNBVRCRSVAKODD-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000662441174 453147886 /nfs/dbraw/zinc/14/78/86/453147886.db2.gz BJIBRDWNBUZCKP-CYBMUJFWSA-N 2 2 329.404 1.885 20 0 EDADLP C[C@H](O)CNc1cc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)nc[nH+]1 ZINC000664538094 453177646 /nfs/dbraw/zinc/17/76/46/453177646.db2.gz YEPFBMQFIIFRFC-RRFJBIMHSA-N 2 2 347.463 1.325 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(C[NH2+]Cc3ccccc3)nn2)C1 ZINC000656446784 453188003 /nfs/dbraw/zinc/18/80/03/453188003.db2.gz BMUYNRGGSWBJBG-LJQANCHMSA-N 2 2 343.475 1.925 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(C[NH2+]Cc3ccccc3)nn2)C1 ZINC000656446784 453188009 /nfs/dbraw/zinc/18/80/09/453188009.db2.gz BMUYNRGGSWBJBG-LJQANCHMSA-N 2 2 343.475 1.925 20 0 EDADLP CN(C)c1nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)[nH+]c2ccccc21 ZINC000664597927 453231866 /nfs/dbraw/zinc/23/18/66/453231866.db2.gz QWEMHFSKQZWAHX-HNNXBMFYSA-N 2 2 341.459 1.731 20 0 EDADLP CN(C)c1nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)[nH+]c2ccccc21 ZINC000664597927 453231873 /nfs/dbraw/zinc/23/18/73/453231873.db2.gz QWEMHFSKQZWAHX-HNNXBMFYSA-N 2 2 341.459 1.731 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000653070583 453249480 /nfs/dbraw/zinc/24/94/80/453249480.db2.gz BSAZHXDBFGYRHP-LBPRGKRZSA-N 2 2 346.353 1.196 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780404 453263248 /nfs/dbraw/zinc/26/32/48/453263248.db2.gz HTDWTIHWNWTRDG-HOTGVXAUSA-N 3 2 347.507 1.681 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780404 453263252 /nfs/dbraw/zinc/26/32/52/453263252.db2.gz HTDWTIHWNWTRDG-HOTGVXAUSA-N 3 2 347.507 1.681 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000662539202 453264623 /nfs/dbraw/zinc/26/46/23/453264623.db2.gz RQKUVRDEZSHSBS-QGZVFWFLSA-N 2 2 332.448 1.287 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000653109191 453293865 /nfs/dbraw/zinc/29/38/65/453293865.db2.gz WWAPQZZCQGFYNN-QGZVFWFLSA-N 2 2 328.416 1.878 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653110466 453295043 /nfs/dbraw/zinc/29/50/43/453295043.db2.gz JIORYKRASQFCPA-IPMKNSEASA-N 2 2 343.471 1.707 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000653112250 453298081 /nfs/dbraw/zinc/29/80/81/453298081.db2.gz RZIORDUUDPPGII-WFASDCNBSA-N 2 2 331.420 1.632 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000653115213 453302587 /nfs/dbraw/zinc/30/25/87/453302587.db2.gz GWXIJJDENHYRQZ-IRXDYDNUSA-N 2 2 347.438 1.386 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000653115576 453303188 /nfs/dbraw/zinc/30/31/88/453303188.db2.gz SZYLVCRDNZTIPY-HNNXBMFYSA-N 2 2 334.445 1.940 20 0 EDADLP C[C@@H]1C[NH+](CCN2CCC[C@H]([NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000660472063 453331411 /nfs/dbraw/zinc/33/14/11/453331411.db2.gz BPNGAHMTBWPSLE-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000660472063 453331417 /nfs/dbraw/zinc/33/14/17/453331417.db2.gz BPNGAHMTBWPSLE-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1CN(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000660472063 453331423 /nfs/dbraw/zinc/33/14/23/453331423.db2.gz BPNGAHMTBWPSLE-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662622569 453340786 /nfs/dbraw/zinc/34/07/86/453340786.db2.gz CZBFKTBDEWONPI-ZDUSSCGKSA-N 2 2 340.431 1.412 20 0 EDADLP Cn1cc([C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c2ccc(F)cc2)cn1 ZINC000653156332 453346256 /nfs/dbraw/zinc/34/62/56/453346256.db2.gz YDTUFJXSMVQREH-CVEARBPZSA-N 2 2 333.411 1.044 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000653156863 453348446 /nfs/dbraw/zinc/34/84/46/453348446.db2.gz NWOLVLFEHRGKAO-RYQLBKOJSA-N 3 2 332.492 1.292 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000653156863 453348453 /nfs/dbraw/zinc/34/84/53/453348453.db2.gz NWOLVLFEHRGKAO-RYQLBKOJSA-N 3 2 332.492 1.292 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@H](C)CO1 ZINC000662636046 453350971 /nfs/dbraw/zinc/35/09/71/453350971.db2.gz XNJAHZDAGLWNCR-BFYDXBDKSA-N 2 2 333.476 1.938 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@H](C)CO1 ZINC000662636046 453350975 /nfs/dbraw/zinc/35/09/75/453350975.db2.gz XNJAHZDAGLWNCR-BFYDXBDKSA-N 2 2 333.476 1.938 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000653159176 453351147 /nfs/dbraw/zinc/35/11/47/453351147.db2.gz WORCBJGBUYDLDU-KBPBESRZSA-N 2 2 325.840 1.949 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC000664752607 453375757 /nfs/dbraw/zinc/37/57/57/453375757.db2.gz HOQHUMPMCQXFRR-OAHLLOKOSA-N 2 2 334.464 1.042 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1Cc2cccc(O)c2C1 ZINC000664752607 453375768 /nfs/dbraw/zinc/37/57/68/453375768.db2.gz HOQHUMPMCQXFRR-OAHLLOKOSA-N 2 2 334.464 1.042 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662671019 453385059 /nfs/dbraw/zinc/38/50/59/453385059.db2.gz JZPKGAZSTFCLOD-CQSZACIVSA-N 2 2 326.322 1.535 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H](C)CO1 ZINC000664760695 453385824 /nfs/dbraw/zinc/38/58/24/453385824.db2.gz ZLYWDJPDGXMWEO-BFYDXBDKSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H](C)CO1 ZINC000664760695 453385832 /nfs/dbraw/zinc/38/58/32/453385832.db2.gz ZLYWDJPDGXMWEO-BFYDXBDKSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H](C)CO1 ZINC000664760695 453385841 /nfs/dbraw/zinc/38/58/41/453385841.db2.gz ZLYWDJPDGXMWEO-BFYDXBDKSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[C@H](C)CO1 ZINC000664760695 453385852 /nfs/dbraw/zinc/38/58/52/453385852.db2.gz ZLYWDJPDGXMWEO-BFYDXBDKSA-N 2 2 338.496 1.412 20 0 EDADLP O=C(NCC12CC(C1)C[NH2+]2)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000662721058 453444467 /nfs/dbraw/zinc/44/44/67/453444467.db2.gz PTDOBBMSTUXQGS-BFHRDPOASA-N 2 2 331.485 1.645 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000651304631 453449183 /nfs/dbraw/zinc/44/91/83/453449183.db2.gz BCNBGBSJDOWYSC-KRWDZBQOSA-N 2 2 346.475 1.475 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1)[C@H](C)[NH3+] ZINC000662741035 453467015 /nfs/dbraw/zinc/46/70/15/453467015.db2.gz CECZXQXEYDUCML-WDSOQIARSA-N 2 2 346.519 1.538 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1)[C@H](C)[NH3+] ZINC000662741035 453467018 /nfs/dbraw/zinc/46/70/18/453467018.db2.gz CECZXQXEYDUCML-WDSOQIARSA-N 2 2 346.519 1.538 20 0 EDADLP Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](C)CC1 ZINC000651323063 453468614 /nfs/dbraw/zinc/46/86/14/453468614.db2.gz OKVPRFFEYRQNQX-MRXNPFEDSA-N 2 2 327.432 1.661 20 0 EDADLP C[C@H]1CCCc2ncc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n21 ZINC000651322502 453468642 /nfs/dbraw/zinc/46/86/42/453468642.db2.gz UDBIVGQIOBFZSA-GJZGRUSLSA-N 2 2 345.491 1.679 20 0 EDADLP C[C@H]1CCCc2ncc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n21 ZINC000651322502 453468650 /nfs/dbraw/zinc/46/86/50/453468650.db2.gz UDBIVGQIOBFZSA-GJZGRUSLSA-N 2 2 345.491 1.679 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1COCC[NH+]1C1CCCC1 ZINC000655351873 453471853 /nfs/dbraw/zinc/47/18/53/453471853.db2.gz URGVDRPKEIGDDT-FGTMMUONSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1COCC[NH+]1C1CCCC1 ZINC000655351873 453471863 /nfs/dbraw/zinc/47/18/63/453471863.db2.gz URGVDRPKEIGDDT-FGTMMUONSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000655351873 453471872 /nfs/dbraw/zinc/47/18/72/453471872.db2.gz URGVDRPKEIGDDT-FGTMMUONSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000655351873 453471876 /nfs/dbraw/zinc/47/18/76/453471876.db2.gz URGVDRPKEIGDDT-FGTMMUONSA-N 2 2 335.492 1.763 20 0 EDADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000662750734 453483697 /nfs/dbraw/zinc/48/36/97/453483697.db2.gz FIZHJJREWXCEJJ-JKSUJKDBSA-N 2 2 328.416 1.106 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000651346617 453489643 /nfs/dbraw/zinc/48/96/43/453489643.db2.gz DNJAFBIHSUVJMO-KRWDZBQOSA-N 2 2 345.491 1.000 20 0 EDADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000651346617 453489651 /nfs/dbraw/zinc/48/96/51/453489651.db2.gz DNJAFBIHSUVJMO-KRWDZBQOSA-N 2 2 345.491 1.000 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000667228248 453495360 /nfs/dbraw/zinc/49/53/60/453495360.db2.gz BGBIWSARCKUVOS-FGTMMUONSA-N 2 2 348.466 1.647 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000667228248 453495375 /nfs/dbraw/zinc/49/53/75/453495375.db2.gz BGBIWSARCKUVOS-FGTMMUONSA-N 2 2 348.466 1.647 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660659360 453496768 /nfs/dbraw/zinc/49/67/68/453496768.db2.gz ONNGUIKDKWUQSD-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660659360 453496775 /nfs/dbraw/zinc/49/67/75/453496775.db2.gz ONNGUIKDKWUQSD-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1(C)C ZINC000662760049 453498714 /nfs/dbraw/zinc/49/87/14/453498714.db2.gz VLLWEWCDMMOZST-BXUZGUMPSA-N 2 2 328.420 1.443 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCN(c2cccc(F)c2F)CC1)C1CC1 ZINC000660664439 453499890 /nfs/dbraw/zinc/49/98/90/453499890.db2.gz HVVGWJXSNGRFPB-OAHLLOKOSA-N 2 2 339.430 1.932 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCN(c2cccc(F)c2F)CC1)C1CC1 ZINC000660664439 453499895 /nfs/dbraw/zinc/49/98/95/453499895.db2.gz HVVGWJXSNGRFPB-OAHLLOKOSA-N 2 2 339.430 1.932 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCN(c2cccc(F)c2F)CC1)C1CC1 ZINC000660664439 453499903 /nfs/dbraw/zinc/49/99/03/453499903.db2.gz HVVGWJXSNGRFPB-OAHLLOKOSA-N 2 2 339.430 1.932 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCN(c2cccc(F)c2F)CC1)C1CC1 ZINC000660664439 453499909 /nfs/dbraw/zinc/49/99/09/453499909.db2.gz HVVGWJXSNGRFPB-OAHLLOKOSA-N 2 2 339.430 1.932 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660695799 453520496 /nfs/dbraw/zinc/52/04/96/453520496.db2.gz LQSAUIIJADQPTF-IXDOHACOSA-N 2 2 337.508 1.506 20 0 EDADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000662787073 453521099 /nfs/dbraw/zinc/52/10/99/453521099.db2.gz DLLLWCHNAKNAJF-GDBMZVCRSA-N 2 2 337.851 1.348 20 0 EDADLP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000662788310 453523143 /nfs/dbraw/zinc/52/31/43/453523143.db2.gz IMZCMMMRMUIBGL-UKRRQHHQSA-N 2 2 343.435 1.683 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662790031 453524475 /nfs/dbraw/zinc/52/44/75/453524475.db2.gz GYCRYDHYRPJXHJ-XYPHTWIQSA-N 2 2 335.423 1.395 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000667266136 453525306 /nfs/dbraw/zinc/52/53/06/453525306.db2.gz NPTPFZVJNSFKFW-HNNXBMFYSA-N 2 2 341.415 1.284 20 0 EDADLP C[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1[nH+]ccn1C ZINC000658920627 453537608 /nfs/dbraw/zinc/53/76/08/453537608.db2.gz UNGXMCSRNNYFFK-CYBMUJFWSA-N 2 2 343.431 1.340 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665047020 453552562 /nfs/dbraw/zinc/55/25/62/453552562.db2.gz YYFRJXGQXYCQPS-UKRRQHHQSA-N 2 2 335.452 1.205 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000665047020 453552570 /nfs/dbraw/zinc/55/25/70/453552570.db2.gz YYFRJXGQXYCQPS-UKRRQHHQSA-N 2 2 335.452 1.205 20 0 EDADLP CC[C@@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCC[NH2+]1 ZINC000662851236 453571191 /nfs/dbraw/zinc/57/11/91/453571191.db2.gz ZESKAOCBOBLWGM-HBFSDRIKSA-N 2 2 343.471 1.630 20 0 EDADLP CC[C@@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCC[NH2+]1 ZINC000662851236 453571194 /nfs/dbraw/zinc/57/11/94/453571194.db2.gz ZESKAOCBOBLWGM-HBFSDRIKSA-N 2 2 343.471 1.630 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000665430882 453691676 /nfs/dbraw/zinc/69/16/76/453691676.db2.gz WUQSWLDFPUQMNM-MRXNPFEDSA-N 2 2 347.507 1.853 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000665430882 453691682 /nfs/dbraw/zinc/69/16/82/453691682.db2.gz WUQSWLDFPUQMNM-MRXNPFEDSA-N 2 2 347.507 1.853 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000659288384 453702924 /nfs/dbraw/zinc/70/29/24/453702924.db2.gz HCUPFBXDTOKKLV-LSDHHAIUSA-N 2 2 334.395 1.517 20 0 EDADLP O=C(NCCNc1cc[nH+]cc1)NCc1ccc[nH+]c1N1CCCC1 ZINC000665619271 453769070 /nfs/dbraw/zinc/76/90/70/453769070.db2.gz UELMQIMFAJLLBF-UHFFFAOYSA-N 2 2 340.431 1.410 20 0 EDADLP Cc1cccc2[nH]c(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cc21 ZINC000657362403 453775348 /nfs/dbraw/zinc/77/53/48/453775348.db2.gz BTNDHXQOYGHHSA-KRWDZBQOSA-N 2 2 342.487 1.972 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000661261950 453776684 /nfs/dbraw/zinc/77/66/84/453776684.db2.gz MRBBGOVUXFQMLQ-UHFFFAOYSA-N 2 2 349.479 1.593 20 0 EDADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000663364807 453780553 /nfs/dbraw/zinc/78/05/53/453780553.db2.gz LSOWSWBJCKBVKF-HUUCEWRRSA-N 2 2 338.448 1.517 20 0 EDADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000663364807 453780557 /nfs/dbraw/zinc/78/05/57/453780557.db2.gz LSOWSWBJCKBVKF-HUUCEWRRSA-N 2 2 338.448 1.517 20 0 EDADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657401863 453782278 /nfs/dbraw/zinc/78/22/78/453782278.db2.gz YTOIPCYHDSAMLP-MOPGFXCFSA-N 3 2 341.459 1.735 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000657406578 453782821 /nfs/dbraw/zinc/78/28/21/453782821.db2.gz GBZPHGFXUNDRDT-QGZVFWFLSA-N 2 2 339.443 1.891 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000657406578 453782825 /nfs/dbraw/zinc/78/28/25/453782825.db2.gz GBZPHGFXUNDRDT-QGZVFWFLSA-N 2 2 339.443 1.891 20 0 EDADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663372923 453783096 /nfs/dbraw/zinc/78/30/96/453783096.db2.gz SFTOPCFFTBUMOE-MOPGFXCFSA-N 2 2 335.492 1.178 20 0 EDADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663372923 453783100 /nfs/dbraw/zinc/78/31/00/453783100.db2.gz SFTOPCFFTBUMOE-MOPGFXCFSA-N 2 2 335.492 1.178 20 0 EDADLP CCc1nc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cc(C)[nH+]1 ZINC000672208049 486663941 /nfs/dbraw/zinc/66/39/41/486663941.db2.gz PWHKOGBEDNPGSH-OAHLLOKOSA-N 2 2 345.491 1.917 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000676194537 486686840 /nfs/dbraw/zinc/68/68/40/486686840.db2.gz NXRVGBGDCPJCPR-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000676194537 486686844 /nfs/dbraw/zinc/68/68/44/486686844.db2.gz NXRVGBGDCPJCPR-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCCCS3)C2)CC1 ZINC000680083117 486702515 /nfs/dbraw/zinc/70/25/15/486702515.db2.gz CGKZYHFIIIOTDL-GOEBONIOSA-N 2 2 340.537 1.740 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCCCS3)C2)CC1 ZINC000680083117 486702519 /nfs/dbraw/zinc/70/25/19/486702519.db2.gz CGKZYHFIIIOTDL-GOEBONIOSA-N 2 2 340.537 1.740 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(C(F)(F)F)CC3)C2)CC1 ZINC000672427440 486708064 /nfs/dbraw/zinc/70/80/64/486708064.db2.gz FLTHXLCSZCZISM-GFCCVEGCSA-N 2 2 348.413 1.797 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(C(F)(F)F)CC3)C2)CC1 ZINC000672427440 486708065 /nfs/dbraw/zinc/70/80/65/486708065.db2.gz FLTHXLCSZCZISM-GFCCVEGCSA-N 2 2 348.413 1.797 20 0 EDADLP c1n[nH]cc1CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000676321677 486736406 /nfs/dbraw/zinc/73/64/06/486736406.db2.gz IKCGSJSDUFCSAV-UHFFFAOYSA-N 2 2 326.404 1.773 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000676342464 486740900 /nfs/dbraw/zinc/74/09/00/486740900.db2.gz PBDLIXDOUNTMRE-OAHLLOKOSA-N 2 2 335.448 1.668 20 0 EDADLP O=C(C[N@@H+]1CCC12CCOCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000683527025 486745155 /nfs/dbraw/zinc/74/51/55/486745155.db2.gz HIOIMXPGMCVTKZ-UHFFFAOYSA-N 2 2 349.500 1.647 20 0 EDADLP O=C(C[N@H+]1CCC12CCOCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000683527025 486745160 /nfs/dbraw/zinc/74/51/60/486745160.db2.gz HIOIMXPGMCVTKZ-UHFFFAOYSA-N 2 2 349.500 1.647 20 0 EDADLP C[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401359 486768995 /nfs/dbraw/zinc/76/89/95/486768995.db2.gz VLUBNNISMDWSFI-QWHCGFSZSA-N 2 2 344.463 1.812 20 0 EDADLP C[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401359 486769000 /nfs/dbraw/zinc/76/90/00/486769000.db2.gz VLUBNNISMDWSFI-QWHCGFSZSA-N 2 2 344.463 1.812 20 0 EDADLP CN1CC[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000676820652 486890904 /nfs/dbraw/zinc/89/09/04/486890904.db2.gz ONPZFLFRCLINQY-GOSISDBHSA-N 2 2 344.503 1.752 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676898292 486922649 /nfs/dbraw/zinc/92/26/49/486922649.db2.gz JDWXFSQQOPSTHE-CHWSQXEVSA-N 2 2 341.415 1.601 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000676898292 486922652 /nfs/dbraw/zinc/92/26/52/486922652.db2.gz JDWXFSQQOPSTHE-CHWSQXEVSA-N 2 2 341.415 1.601 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000677095576 486973654 /nfs/dbraw/zinc/97/36/54/486973654.db2.gz DEANLSCXDLBIHS-HZPDHXFCSA-N 2 2 331.464 1.834 20 0 EDADLP CN(C(=O)NCc1ncccc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217298 486976163 /nfs/dbraw/zinc/97/61/63/486976163.db2.gz PRKSIBPZNBQWGZ-OAHLLOKOSA-N 2 2 349.454 1.531 20 0 EDADLP CN(C(=O)NCc1ncccc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217298 486976170 /nfs/dbraw/zinc/97/61/70/486976170.db2.gz PRKSIBPZNBQWGZ-OAHLLOKOSA-N 2 2 349.454 1.531 20 0 EDADLP O=S1(=O)CC[C@H](CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684212320 486987815 /nfs/dbraw/zinc/98/78/15/486987815.db2.gz QNXLQLSGBOTJCQ-GBESFXJTSA-N 2 2 348.512 1.875 20 0 EDADLP O=S1(=O)CC[C@H](CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684212320 486987819 /nfs/dbraw/zinc/98/78/19/486987819.db2.gz QNXLQLSGBOTJCQ-GBESFXJTSA-N 2 2 348.512 1.875 20 0 EDADLP O=S1(=O)CC[C@H](CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684212320 486987822 /nfs/dbraw/zinc/98/78/22/486987822.db2.gz QNXLQLSGBOTJCQ-GBESFXJTSA-N 2 2 348.512 1.875 20 0 EDADLP O=S1(=O)CC[C@H](CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684212320 486987825 /nfs/dbraw/zinc/98/78/25/486987825.db2.gz QNXLQLSGBOTJCQ-GBESFXJTSA-N 2 2 348.512 1.875 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nc4c(s3)CCC4)C2)CC1 ZINC000667954401 487030595 /nfs/dbraw/zinc/03/05/95/487030595.db2.gz BKFMIURFDILJSZ-GFCCVEGCSA-N 2 2 334.489 1.530 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000673662030 487081909 /nfs/dbraw/zinc/08/19/09/487081909.db2.gz MKZODBIAOLYVPG-UHFFFAOYSA-N 2 2 347.507 1.575 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3nccn3C)CC2)CC1 ZINC000673662030 487081911 /nfs/dbraw/zinc/08/19/11/487081911.db2.gz MKZODBIAOLYVPG-UHFFFAOYSA-N 2 2 347.507 1.575 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3nccn3C)CC2)CC1 ZINC000673662030 487081916 /nfs/dbraw/zinc/08/19/16/487081916.db2.gz MKZODBIAOLYVPG-UHFFFAOYSA-N 2 2 347.507 1.575 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673669314 487084679 /nfs/dbraw/zinc/08/46/79/487084679.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 3 2 336.524 1.486 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673669314 487084680 /nfs/dbraw/zinc/08/46/80/487084680.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 3 2 336.524 1.486 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673669314 487084684 /nfs/dbraw/zinc/08/46/84/487084684.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 3 2 336.524 1.486 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673669314 487084688 /nfs/dbraw/zinc/08/46/88/487084688.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 3 2 336.524 1.486 20 0 EDADLP CN(CC[NH+](C)C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000673879608 487144783 /nfs/dbraw/zinc/14/47/83/487144783.db2.gz BFRUMUUEIAHALP-INIZCTEOSA-N 2 2 329.448 1.907 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000681755176 487158987 /nfs/dbraw/zinc/15/89/87/487158987.db2.gz PMQKHCLHKBOKOF-ZBFHGGJFSA-N 2 2 325.416 1.374 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000681755176 487158990 /nfs/dbraw/zinc/15/89/90/487158990.db2.gz PMQKHCLHKBOKOF-ZBFHGGJFSA-N 2 2 325.416 1.374 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000677985621 487219804 /nfs/dbraw/zinc/21/98/04/487219804.db2.gz UVODTXATBQAVIS-ZWKOTPCHSA-N 2 2 335.492 1.574 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000677985621 487219805 /nfs/dbraw/zinc/21/98/05/487219805.db2.gz UVODTXATBQAVIS-ZWKOTPCHSA-N 2 2 335.492 1.574 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000677984678 487219919 /nfs/dbraw/zinc/21/99/19/487219919.db2.gz MSRQLSYIHPEAJK-HOTGVXAUSA-N 2 2 339.528 1.137 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000677984678 487219921 /nfs/dbraw/zinc/21/99/21/487219921.db2.gz MSRQLSYIHPEAJK-HOTGVXAUSA-N 2 2 339.528 1.137 20 0 EDADLP C[C@@H](CO)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000678045583 487233146 /nfs/dbraw/zinc/23/31/46/487233146.db2.gz NVCSRRONDQGAGS-MSOLQXFVSA-N 2 2 332.492 1.544 20 0 EDADLP C[C@@H](CO)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000678045583 487233148 /nfs/dbraw/zinc/23/31/48/487233148.db2.gz NVCSRRONDQGAGS-MSOLQXFVSA-N 2 2 332.492 1.544 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2[nH]cnc2c1 ZINC000678252590 487274814 /nfs/dbraw/zinc/27/48/14/487274814.db2.gz AUPFESDTJPMWRZ-WBVHZDCISA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2[nH]cnc2c1 ZINC000678252590 487274818 /nfs/dbraw/zinc/27/48/18/487274818.db2.gz AUPFESDTJPMWRZ-WBVHZDCISA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC000678252590 487274820 /nfs/dbraw/zinc/27/48/20/487274820.db2.gz AUPFESDTJPMWRZ-WBVHZDCISA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000678252590 487274824 /nfs/dbraw/zinc/27/48/24/487274824.db2.gz AUPFESDTJPMWRZ-WBVHZDCISA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC000678252590 487274827 /nfs/dbraw/zinc/27/48/27/487274827.db2.gz AUPFESDTJPMWRZ-WBVHZDCISA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC000678252590 487274830 /nfs/dbraw/zinc/27/48/30/487274830.db2.gz AUPFESDTJPMWRZ-WBVHZDCISA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000678252590 487274833 /nfs/dbraw/zinc/27/48/33/487274833.db2.gz AUPFESDTJPMWRZ-WBVHZDCISA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000678252590 487274837 /nfs/dbraw/zinc/27/48/37/487274837.db2.gz AUPFESDTJPMWRZ-WBVHZDCISA-N 2 2 343.475 1.400 20 0 EDADLP C[NH+]1CCN(C(=O)CN[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000682133387 487308540 /nfs/dbraw/zinc/30/85/40/487308540.db2.gz WCSZHZUCDHYOQI-INIZCTEOSA-N 2 2 331.395 1.002 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000682295993 487341186 /nfs/dbraw/zinc/34/11/86/487341186.db2.gz TUXLFFBBIOJKFG-UKRRQHHQSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000682295993 487341190 /nfs/dbraw/zinc/34/11/90/487341190.db2.gz TUXLFFBBIOJKFG-UKRRQHHQSA-N 2 2 341.415 1.216 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000682355971 487349789 /nfs/dbraw/zinc/34/97/89/487349789.db2.gz WDFQMIAAZFTHEU-CYBMUJFWSA-N 2 2 329.404 1.262 20 0 EDADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000678770348 487362395 /nfs/dbraw/zinc/36/23/95/487362395.db2.gz MVSXYTZNEATNPS-CVEARBPZSA-N 2 2 333.457 1.871 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccn(C(F)F)n3)CC2)CC1 ZINC000678828074 487368868 /nfs/dbraw/zinc/36/88/68/487368868.db2.gz UYVLPAVQOBLFTD-UHFFFAOYSA-N 2 2 341.406 1.567 20 0 EDADLP C[N@@H+]1CC[C@@H](Cn2nnc([C@@H]3C[NH+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712974 487408829 /nfs/dbraw/zinc/40/88/29/487408829.db2.gz UHIXJRMGOXHVOS-SJORKVTESA-N 2 2 342.447 1.198 20 0 EDADLP C[N@H+]1CC[C@@H](Cn2nnc([C@@H]3C[NH+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712974 487408831 /nfs/dbraw/zinc/40/88/31/487408831.db2.gz UHIXJRMGOXHVOS-SJORKVTESA-N 2 2 342.447 1.198 20 0 EDADLP C[NH+]1CC[C@@H](Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712974 487408834 /nfs/dbraw/zinc/40/88/34/487408834.db2.gz UHIXJRMGOXHVOS-SJORKVTESA-N 2 2 342.447 1.198 20 0 EDADLP C[NH+]1CC[C@@H](Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712974 487408837 /nfs/dbraw/zinc/40/88/37/487408837.db2.gz UHIXJRMGOXHVOS-SJORKVTESA-N 2 2 342.447 1.198 20 0 EDADLP CCc1cccnc1[C@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000679575693 487440103 /nfs/dbraw/zinc/44/01/03/487440103.db2.gz SIPHKRHEBOVABL-WMZOPIPTSA-N 2 2 332.492 1.701 20 0 EDADLP O=C(N1CC[NH+](Cc2cccnc2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000324262786 485524487 /nfs/dbraw/zinc/52/44/87/485524487.db2.gz HVHJXJMLCUYIIN-HNNXBMFYSA-N 2 2 342.365 1.268 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000324595703 485578045 /nfs/dbraw/zinc/57/80/45/485578045.db2.gz FTBFFCFAUWWQFO-SJLPKXTDSA-N 2 2 331.460 1.646 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000324595703 485578053 /nfs/dbraw/zinc/57/80/53/485578053.db2.gz FTBFFCFAUWWQFO-SJLPKXTDSA-N 2 2 331.460 1.646 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000670985595 485608968 /nfs/dbraw/zinc/60/89/68/485608968.db2.gz FFSLZDBYQLPAGC-KZNAEPCWSA-N 2 2 337.508 1.678 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000670985595 485608977 /nfs/dbraw/zinc/60/89/77/485608977.db2.gz FFSLZDBYQLPAGC-KZNAEPCWSA-N 2 2 337.508 1.678 20 0 EDADLP CO[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000668374450 485660541 /nfs/dbraw/zinc/66/05/41/485660541.db2.gz MAQXWDAZCYLBGQ-NVXWUHKLSA-N 2 2 340.512 1.515 20 0 EDADLP CO[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000668374450 485660550 /nfs/dbraw/zinc/66/05/50/485660550.db2.gz MAQXWDAZCYLBGQ-NVXWUHKLSA-N 2 2 340.512 1.515 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000343326287 485930691 /nfs/dbraw/zinc/93/06/91/485930691.db2.gz WQFMKWCJIFMFHH-AEFFLSMTSA-N 2 2 342.443 1.697 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115549968 485970703 /nfs/dbraw/zinc/97/07/03/485970703.db2.gz LEGRIDMZQPPTTK-QGZVFWFLSA-N 2 2 347.503 1.812 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115549968 485970711 /nfs/dbraw/zinc/97/07/11/485970711.db2.gz LEGRIDMZQPPTTK-QGZVFWFLSA-N 2 2 347.503 1.812 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000346433371 485995793 /nfs/dbraw/zinc/99/57/93/485995793.db2.gz IDICREGYVOQVBV-INMHGKMJSA-N 2 2 332.448 1.061 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000669366433 486013758 /nfs/dbraw/zinc/01/37/58/486013758.db2.gz RYNRKMZKDTXKGW-ROUUACIJSA-N 2 2 346.475 1.501 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1cccnc1 ZINC000668690145 486052214 /nfs/dbraw/zinc/05/22/14/486052214.db2.gz UDJNHSKCJISBER-UHFFFAOYSA-N 2 2 332.492 1.889 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1cccnc1 ZINC000668690145 486052219 /nfs/dbraw/zinc/05/22/19/486052219.db2.gz UDJNHSKCJISBER-UHFFFAOYSA-N 2 2 332.492 1.889 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1onc2c1CCCC2 ZINC000668690166 486052515 /nfs/dbraw/zinc/05/25/15/486052515.db2.gz USFFXFFZEFWXBR-UHFFFAOYSA-N 2 2 334.464 1.651 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1onc2c1CCCC2 ZINC000668690166 486052521 /nfs/dbraw/zinc/05/25/21/486052521.db2.gz USFFXFFZEFWXBR-UHFFFAOYSA-N 2 2 334.464 1.651 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1OCC[NH+](C)C ZINC000279365160 486070948 /nfs/dbraw/zinc/07/09/48/486070948.db2.gz SBYRIBWJTNCZFJ-MRXNPFEDSA-N 2 2 349.475 1.420 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)[C@@H](C[NH3+])C1 ZINC000669406353 486079858 /nfs/dbraw/zinc/07/98/58/486079858.db2.gz WMCIHNRFHHYJDE-DZGCQCFKSA-N 2 2 336.411 1.324 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)[C@@H](C[NH3+])C1 ZINC000669406353 486079866 /nfs/dbraw/zinc/07/98/66/486079866.db2.gz WMCIHNRFHHYJDE-DZGCQCFKSA-N 2 2 336.411 1.324 20 0 EDADLP CC(C)N(C)c1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000668792843 486201731 /nfs/dbraw/zinc/20/17/31/486201731.db2.gz LMFPSCNSHWZWOW-UHFFFAOYSA-N 2 2 328.464 1.982 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H](c2ccncc2)C2(CO)CCC2)n1C ZINC000668813547 486222077 /nfs/dbraw/zinc/22/20/77/486222077.db2.gz IWCAACWEUPYDKM-MRXNPFEDSA-N 2 2 329.448 1.875 20 0 EDADLP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000669474545 486227416 /nfs/dbraw/zinc/22/74/16/486227416.db2.gz OPPAXXDXLTXYIN-VXGBXAGGSA-N 2 2 326.391 1.576 20 0 EDADLP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000669474545 486227421 /nfs/dbraw/zinc/22/74/21/486227421.db2.gz OPPAXXDXLTXYIN-VXGBXAGGSA-N 2 2 326.391 1.576 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000668873852 486285847 /nfs/dbraw/zinc/28/58/47/486285847.db2.gz IJATVNFMMUCXIE-HZPDHXFCSA-N 2 2 327.432 1.951 20 0 EDADLP CC[C@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)[NH+](CC)CC ZINC000670399779 486445516 /nfs/dbraw/zinc/44/55/16/486445516.db2.gz GHMZOOVKJKQWCG-CQSZACIVSA-N 2 2 337.468 1.792 20 0 EDADLP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000671295583 486640594 /nfs/dbraw/zinc/64/05/94/486640594.db2.gz DVLUKXGLPQYKRH-ZTFGCOKTSA-N 2 2 331.460 1.551 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2cc1OC ZINC000405279098 486642893 /nfs/dbraw/zinc/64/28/93/486642893.db2.gz UNTVBAKVVVQBOH-UONOGXRCSA-N 2 2 329.400 1.507 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2cc1OC ZINC000405279098 486642895 /nfs/dbraw/zinc/64/28/95/486642895.db2.gz UNTVBAKVVVQBOH-UONOGXRCSA-N 2 2 329.400 1.507 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000131442674 491212959 /nfs/dbraw/zinc/21/29/59/491212959.db2.gz XXCIGTFJDVVVDD-GOSISDBHSA-N 2 2 346.431 1.250 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305118435 491008995 /nfs/dbraw/zinc/00/89/95/491008995.db2.gz LMSKNASECFWQPU-IAGOWNOFSA-N 2 2 334.464 1.547 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156411057 491018197 /nfs/dbraw/zinc/01/81/97/491018197.db2.gz XJRDWMYMOJXEDL-HOCLYGCPSA-N 2 2 347.463 1.925 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156411057 491018198 /nfs/dbraw/zinc/01/81/98/491018198.db2.gz XJRDWMYMOJXEDL-HOCLYGCPSA-N 2 2 347.463 1.925 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCCn2cccc2)([NH+]2CCCCC2)CC1 ZINC000084441906 491185990 /nfs/dbraw/zinc/18/59/90/491185990.db2.gz YWDUIHCKQSSSIB-UHFFFAOYSA-N 2 2 347.507 1.738 20 0 EDADLP C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000186814494 534295191 /nfs/dbraw/zinc/29/51/91/534295191.db2.gz BDPMMMSKWYNGHB-RKVPGOIHSA-N 2 2 348.466 1.450 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c[nH+]ccc2N(C)C)C[C@H](C)O1 ZINC000183487879 534437646 /nfs/dbraw/zinc/43/76/46/534437646.db2.gz QMKGKFZSDKELSC-OKILXGFUSA-N 2 2 334.464 1.765 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c[nH+]ccc2N(C)C)C[C@H](C)O1 ZINC000183487879 534437651 /nfs/dbraw/zinc/43/76/51/534437651.db2.gz QMKGKFZSDKELSC-OKILXGFUSA-N 2 2 334.464 1.765 20 0 EDADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000132126072 534595072 /nfs/dbraw/zinc/59/50/72/534595072.db2.gz SANGTSGRQVZNBZ-SFHVURJKSA-N 2 2 329.444 1.194 20 0 EDADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000132126072 534595080 /nfs/dbraw/zinc/59/50/80/534595080.db2.gz SANGTSGRQVZNBZ-SFHVURJKSA-N 2 2 329.444 1.194 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000171317878 534674935 /nfs/dbraw/zinc/67/49/35/534674935.db2.gz NSYOJPDWTYFYJL-OAHLLOKOSA-N 2 2 343.475 1.344 20 0 EDADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000179534149 528361304 /nfs/dbraw/zinc/36/13/04/528361304.db2.gz DGSAGYJNBLSEIH-RDJZCZTQSA-N 2 2 344.459 1.615 20 0 EDADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000179534149 528361310 /nfs/dbraw/zinc/36/13/10/528361310.db2.gz DGSAGYJNBLSEIH-RDJZCZTQSA-N 2 2 344.459 1.615 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOCc2ccccc2)CC1 ZINC000154638696 529131941 /nfs/dbraw/zinc/13/19/41/529131941.db2.gz KRIPPGNATWPOGJ-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOCc2ccccc2)CC1 ZINC000154638696 529131943 /nfs/dbraw/zinc/13/19/43/529131943.db2.gz KRIPPGNATWPOGJ-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000263253917 535052185 /nfs/dbraw/zinc/05/21/85/535052185.db2.gz PYJSVXORJVAZDT-DYVFJYSZSA-N 2 2 343.431 1.149 20 0 EDADLP CC(C)n1cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000332405758 535059953 /nfs/dbraw/zinc/05/99/53/535059953.db2.gz BSXDQBWBBURDPB-UHFFFAOYSA-N 2 2 329.452 1.642 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)[C@@H](C)C1 ZINC000246373840 535525556 /nfs/dbraw/zinc/52/55/56/535525556.db2.gz JOEUPAXMELYIAJ-XHSDSOJGSA-N 2 2 334.526 1.536 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)[C@@H](C)C1 ZINC000246373840 535525559 /nfs/dbraw/zinc/52/55/59/535525559.db2.gz JOEUPAXMELYIAJ-XHSDSOJGSA-N 2 2 334.526 1.536 20 0 EDADLP C[NH+](C)CCOC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000346231650 535892870 /nfs/dbraw/zinc/89/28/70/535892870.db2.gz XRWUQTYYZVCONA-UHFFFAOYSA-N 2 2 344.463 1.264 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)s1 ZINC000352773824 536057739 /nfs/dbraw/zinc/05/77/39/536057739.db2.gz UVYDXJGDHXGMJC-ZDUSSCGKSA-N 2 2 339.436 1.873 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCC[C@H]1O ZINC000270217959 536303566 /nfs/dbraw/zinc/30/35/66/536303566.db2.gz YWVLYCFTOUPOGA-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCC[C@H]1O ZINC000270217959 536303567 /nfs/dbraw/zinc/30/35/67/536303567.db2.gz YWVLYCFTOUPOGA-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)CC1 ZINC000262447525 536339572 /nfs/dbraw/zinc/33/95/72/536339572.db2.gz VLYSGOHPIGSGJB-OXJNMPFZSA-N 3 2 348.535 1.441 20 0 EDADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263245785 536449465 /nfs/dbraw/zinc/44/94/65/536449465.db2.gz PGRDORDMSTUJSY-CVEARBPZSA-N 2 2 337.414 1.964 20 0 EDADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263245785 536449467 /nfs/dbraw/zinc/44/94/67/536449467.db2.gz PGRDORDMSTUJSY-CVEARBPZSA-N 2 2 337.414 1.964 20 0 EDADLP COc1cc(C)nc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261738292 536691073 /nfs/dbraw/zinc/69/10/73/536691073.db2.gz MEAUAZXUOHINRG-UHFFFAOYSA-N 2 2 342.447 1.473 20 0 EDADLP COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000344759928 536693598 /nfs/dbraw/zinc/69/35/98/536693598.db2.gz BNIXQGNSEZZSFD-UHFFFAOYSA-N 2 2 337.439 1.932 20 0 EDADLP COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000344759928 536693601 /nfs/dbraw/zinc/69/36/01/536693601.db2.gz BNIXQGNSEZZSFD-UHFFFAOYSA-N 2 2 337.439 1.932 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248184145 536771683 /nfs/dbraw/zinc/77/16/83/536771683.db2.gz WZDHBQANGGUZPD-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248184145 536771690 /nfs/dbraw/zinc/77/16/90/536771690.db2.gz WZDHBQANGGUZPD-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248184145 536771695 /nfs/dbraw/zinc/77/16/95/536771695.db2.gz WZDHBQANGGUZPD-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248184145 536771701 /nfs/dbraw/zinc/77/17/01/536771701.db2.gz WZDHBQANGGUZPD-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000738920711 578306871 /nfs/dbraw/zinc/30/68/71/578306871.db2.gz WCTDSOSXMIMKIU-OAHLLOKOSA-N 2 2 331.420 1.875 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000738920711 578306872 /nfs/dbraw/zinc/30/68/72/578306872.db2.gz WCTDSOSXMIMKIU-OAHLLOKOSA-N 2 2 331.420 1.875 20 0 EDADLP CC(C)COC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000726071614 578332062 /nfs/dbraw/zinc/33/20/62/578332062.db2.gz YKBVOYIWQXXYOF-INIZCTEOSA-N 2 2 327.469 1.243 20 0 EDADLP CC(C)COC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000726071614 578332063 /nfs/dbraw/zinc/33/20/63/578332063.db2.gz YKBVOYIWQXXYOF-INIZCTEOSA-N 2 2 327.469 1.243 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCc3ccccc3C2)CCO1 ZINC000726254565 578338266 /nfs/dbraw/zinc/33/82/66/578338266.db2.gz GZUBMJUFVAPLPB-INIZCTEOSA-N 2 2 346.475 1.065 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCc3ccccc3C2)CCO1 ZINC000726254565 578338267 /nfs/dbraw/zinc/33/82/67/578338267.db2.gz GZUBMJUFVAPLPB-INIZCTEOSA-N 2 2 346.475 1.065 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000726254565 578338268 /nfs/dbraw/zinc/33/82/68/578338268.db2.gz GZUBMJUFVAPLPB-INIZCTEOSA-N 2 2 346.475 1.065 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000726254565 578338270 /nfs/dbraw/zinc/33/82/70/578338270.db2.gz GZUBMJUFVAPLPB-INIZCTEOSA-N 2 2 346.475 1.065 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)CCO1 ZINC000726255526 578338935 /nfs/dbraw/zinc/33/89/35/578338935.db2.gz KWSBRPPKWDPPRI-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)CCO1 ZINC000726255526 578338936 /nfs/dbraw/zinc/33/89/36/578338936.db2.gz KWSBRPPKWDPPRI-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000726255526 578338937 /nfs/dbraw/zinc/33/89/37/578338937.db2.gz KWSBRPPKWDPPRI-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000726255526 578338938 /nfs/dbraw/zinc/33/89/38/578338938.db2.gz KWSBRPPKWDPPRI-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH+]2CCC([N@H+](C)CCO)CC2)c1 ZINC000729927469 578598308 /nfs/dbraw/zinc/59/83/08/578598308.db2.gz KVOCNIXAJOMTSF-QGZVFWFLSA-N 2 2 338.448 1.126 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH+]2CCC([N@@H+](C)CCO)CC2)c1 ZINC000729927469 578598309 /nfs/dbraw/zinc/59/83/09/578598309.db2.gz KVOCNIXAJOMTSF-QGZVFWFLSA-N 2 2 338.448 1.126 20 0 EDADLP Cc1cc(N2CCC[N@@H+](Cc3nccn3C(C)C)CC2)nc(N)[nH+]1 ZINC000729920043 578599375 /nfs/dbraw/zinc/59/93/75/578599375.db2.gz RFWPTEMQTXPEHO-UHFFFAOYSA-N 2 2 329.452 1.857 20 0 EDADLP Cc1cc(N2CCC[N@H+](Cc3nccn3C(C)C)CC2)nc(N)[nH+]1 ZINC000729920043 578599377 /nfs/dbraw/zinc/59/93/77/578599377.db2.gz RFWPTEMQTXPEHO-UHFFFAOYSA-N 2 2 329.452 1.857 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCOc3cccc(F)c3)CCO2)CC1 ZINC000729928648 578603755 /nfs/dbraw/zinc/60/37/55/578603755.db2.gz OZXRWGGCNCPYNE-SFHVURJKSA-N 2 2 337.439 1.153 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCOc3cccc(F)c3)CCO2)CC1 ZINC000729928648 578603757 /nfs/dbraw/zinc/60/37/57/578603757.db2.gz OZXRWGGCNCPYNE-SFHVURJKSA-N 2 2 337.439 1.153 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cnn(-c2ccc(Cl)cc2)n1 ZINC000730109845 578615270 /nfs/dbraw/zinc/61/52/70/578615270.db2.gz YMKSEHOAQALMCT-CQSZACIVSA-N 2 2 348.882 1.646 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4c(cc3O)OCO4)C2)CC1 ZINC000732833720 578732369 /nfs/dbraw/zinc/73/23/69/578732369.db2.gz FTDXAZZSIBSHHI-GFCCVEGCSA-N 2 2 347.415 1.019 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4c(cc3O)OCO4)C2)CC1 ZINC000732833720 578732371 /nfs/dbraw/zinc/73/23/71/578732371.db2.gz FTDXAZZSIBSHHI-GFCCVEGCSA-N 2 2 347.415 1.019 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[N@H+](C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000735291912 578874377 /nfs/dbraw/zinc/87/43/77/578874377.db2.gz ZWKZQEBKCOXSKP-WMZOPIPTSA-N 2 2 333.476 1.595 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000735291912 578874378 /nfs/dbraw/zinc/87/43/78/578874378.db2.gz ZWKZQEBKCOXSKP-WMZOPIPTSA-N 2 2 333.476 1.595 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735893005 578936947 /nfs/dbraw/zinc/93/69/47/578936947.db2.gz SEEOKQFLJUILPU-UHFFFAOYSA-N 2 2 330.436 1.708 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000736657703 579010368 /nfs/dbraw/zinc/01/03/68/579010368.db2.gz ZFAICNMUNGIDHQ-CQSZACIVSA-N 2 2 336.436 1.227 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000736657703 579010369 /nfs/dbraw/zinc/01/03/69/579010369.db2.gz ZFAICNMUNGIDHQ-CQSZACIVSA-N 2 2 336.436 1.227 20 0 EDADLP CCn1c(C)nn(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1=S ZINC000738206949 579172130 /nfs/dbraw/zinc/17/21/30/579172130.db2.gz CXBGHTKDJLSHSF-UHFFFAOYSA-N 2 2 327.498 1.743 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738335568 579187283 /nfs/dbraw/zinc/18/72/83/579187283.db2.gz UCLVASYPYRQIKE-MRXNPFEDSA-N 2 2 332.510 1.388 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738335568 579187284 /nfs/dbraw/zinc/18/72/84/579187284.db2.gz UCLVASYPYRQIKE-MRXNPFEDSA-N 2 2 332.510 1.388 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000745791072 579562686 /nfs/dbraw/zinc/56/26/86/579562686.db2.gz ICMKMDJYMQNJLT-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000745791072 579562687 /nfs/dbraw/zinc/56/26/87/579562687.db2.gz ICMKMDJYMQNJLT-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000745791072 579562688 /nfs/dbraw/zinc/56/26/88/579562688.db2.gz ICMKMDJYMQNJLT-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000745791072 579562689 /nfs/dbraw/zinc/56/26/89/579562689.db2.gz ICMKMDJYMQNJLT-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543289 580444194 /nfs/dbraw/zinc/44/41/94/580444194.db2.gz YPYNXLPAHPIICA-WMZOPIPTSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543289 580444195 /nfs/dbraw/zinc/44/41/95/580444195.db2.gz YPYNXLPAHPIICA-WMZOPIPTSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543289 580444196 /nfs/dbraw/zinc/44/41/96/580444196.db2.gz YPYNXLPAHPIICA-WMZOPIPTSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543289 580444197 /nfs/dbraw/zinc/44/41/97/580444197.db2.gz YPYNXLPAHPIICA-WMZOPIPTSA-N 2 2 347.503 1.922 20 0 EDADLP COC(=O)/C(C)=C/C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000748818172 579702020 /nfs/dbraw/zinc/70/20/20/579702020.db2.gz WAQUBIZUMPHYQJ-GIJQJNRQSA-N 2 2 345.487 1.855 20 0 EDADLP COC(=O)/C(C)=C/C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000748818172 579702021 /nfs/dbraw/zinc/70/20/21/579702021.db2.gz WAQUBIZUMPHYQJ-GIJQJNRQSA-N 2 2 345.487 1.855 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000749844803 579742069 /nfs/dbraw/zinc/74/20/69/579742069.db2.gz NLULVIWSGQBCPB-LLVKDONJSA-N 2 2 340.387 1.810 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000749844803 579742070 /nfs/dbraw/zinc/74/20/70/579742070.db2.gz NLULVIWSGQBCPB-LLVKDONJSA-N 2 2 340.387 1.810 20 0 EDADLP C[NH+](C)CCOC1CC[NH+](CN2C(=O)SC(C)(C)C2=O)CC1 ZINC000754006447 579893734 /nfs/dbraw/zinc/89/37/34/579893734.db2.gz YXTQTRDQHVWUNP-UHFFFAOYSA-N 2 2 329.466 1.461 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000757643396 579969537 /nfs/dbraw/zinc/96/95/37/579969537.db2.gz RKHOXNDUPRZWSP-AWEZNQCLSA-N 2 2 348.447 1.011 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000757643396 579969538 /nfs/dbraw/zinc/96/95/38/579969538.db2.gz RKHOXNDUPRZWSP-AWEZNQCLSA-N 2 2 348.447 1.011 20 0 EDADLP CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000763341877 580098148 /nfs/dbraw/zinc/09/81/48/580098148.db2.gz VIRVBKBJWHJEST-KZNAEPCWSA-N 2 2 336.524 1.550 20 0 EDADLP CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000763341877 580098149 /nfs/dbraw/zinc/09/81/49/580098149.db2.gz VIRVBKBJWHJEST-KZNAEPCWSA-N 2 2 336.524 1.550 20 0 EDADLP O=C1C[C@@H](c2cccnc2)CN1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000765694286 580148811 /nfs/dbraw/zinc/14/88/11/580148811.db2.gz OABHDMFODCWMDW-MRXNPFEDSA-N 2 2 325.416 1.889 20 0 EDADLP Cn1ncc2c1nc(NC1CC[NH+](C[C@@H]3CCCO3)CC1)[nH+]c2N ZINC000767166387 580182915 /nfs/dbraw/zinc/18/29/15/580182915.db2.gz UMCBMUBUIXQIEM-LBPRGKRZSA-N 2 2 331.424 1.001 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CN1CC[NH+]1CCOCC1 ZINC000773003247 580325049 /nfs/dbraw/zinc/32/50/49/580325049.db2.gz CEUPLNWXJSIRSJ-MANSERQUSA-N 2 2 349.519 1.868 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000775577256 580394113 /nfs/dbraw/zinc/39/41/13/580394113.db2.gz WQFKERRSECNXFQ-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000775577256 580394114 /nfs/dbraw/zinc/39/41/14/580394114.db2.gz WQFKERRSECNXFQ-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP COc1cccc2c(N3CC[NH+](CC[S@@](C)=O)CC3)cc[nH+]c12 ZINC000780551080 580526529 /nfs/dbraw/zinc/52/65/29/580526529.db2.gz XOOCECMAABQYLT-HSZRJFAPSA-N 2 2 333.457 1.744 20 0 EDADLP OCCNc1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]c2ccccc21 ZINC000785799090 580653771 /nfs/dbraw/zinc/65/37/71/580653771.db2.gz FSXSSFQPSXPUBB-KBPBESRZSA-N 2 2 343.431 1.309 20 0 EDADLP OCCNc1nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]c2ccccc21 ZINC000785799090 580653772 /nfs/dbraw/zinc/65/37/72/580653772.db2.gz FSXSSFQPSXPUBB-KBPBESRZSA-N 2 2 343.431 1.309 20 0 EDADLP COC1CC[NH+](CC[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000788622781 580726101 /nfs/dbraw/zinc/72/61/01/580726101.db2.gz CRPGSVHZVRXQSB-AWEZNQCLSA-N 2 2 341.496 1.942 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000795707527 580934880 /nfs/dbraw/zinc/93/48/80/580934880.db2.gz ODFXDOARKGOPTJ-BZUAXINKSA-N 2 2 331.464 1.252 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCc3c2cnn3CCO)s1 ZINC000796280469 580949927 /nfs/dbraw/zinc/94/99/27/580949927.db2.gz MVUUMPINOHZUON-CQSZACIVSA-N 2 2 335.477 1.561 20 0 EDADLP CN(C(=O)c1cn2c(n1)CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000799628752 581033208 /nfs/dbraw/zinc/03/32/08/581033208.db2.gz KFPDRHGJUSQPRW-MRXNPFEDSA-N 2 2 345.491 1.460 20 0 EDADLP CN(C(=O)c1cn2c(n1)CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000799628752 581033209 /nfs/dbraw/zinc/03/32/09/581033209.db2.gz KFPDRHGJUSQPRW-MRXNPFEDSA-N 2 2 345.491 1.460 20 0 EDADLP C[C@H]1C[N@H+](CCOC(=O)CC2([NH+]3CCOCC3)CCCC2)CCO1 ZINC000800220541 581048032 /nfs/dbraw/zinc/04/80/32/581048032.db2.gz VCQDDNDLRZGVMX-INIZCTEOSA-N 2 2 340.464 1.285 20 0 EDADLP C[C@H]1C[N@@H+](CCOC(=O)CC2([NH+]3CCOCC3)CCCC2)CCO1 ZINC000800220541 581048033 /nfs/dbraw/zinc/04/80/33/581048033.db2.gz VCQDDNDLRZGVMX-INIZCTEOSA-N 2 2 340.464 1.285 20 0 EDADLP CC(C)(C)c1nc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000891815734 590632929 /nfs/dbraw/zinc/63/29/29/590632929.db2.gz USIIQOASTHXLOU-ZDUSSCGKSA-N 2 2 334.468 1.807 20 0 EDADLP C[C@H](CCO)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893081635 590650751 /nfs/dbraw/zinc/65/07/51/590650751.db2.gz IQTPJWLPLXWBRS-CQSZACIVSA-N 2 2 329.485 1.584 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891915560 590686176 /nfs/dbraw/zinc/68/61/76/590686176.db2.gz IDMOLEIZUHZHTM-INIZCTEOSA-N 2 2 328.416 1.850 20 0 EDADLP C[C@H](CNC(=O)NCc1cn(C)c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000892020353 590753049 /nfs/dbraw/zinc/75/30/49/590753049.db2.gz VDOUMPKEXLXZDY-CQSZACIVSA-N 2 2 327.432 1.666 20 0 EDADLP C[C@H](CNC(=O)NCc1cn(C)c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000892020353 590753051 /nfs/dbraw/zinc/75/30/51/590753051.db2.gz VDOUMPKEXLXZDY-CQSZACIVSA-N 2 2 327.432 1.666 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)nc[nH+]1 ZINC000893531846 590927339 /nfs/dbraw/zinc/92/73/39/590927339.db2.gz OAAAADYWKXRYRI-ZIAGYGMSSA-N 2 2 330.436 1.777 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)nc[nH+]1 ZINC000893552788 590957153 /nfs/dbraw/zinc/95/71/53/590957153.db2.gz YGRUXEBDGXCTDM-CABCVRRESA-N 2 2 349.479 1.349 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)nc[nH+]1 ZINC000893552788 590957155 /nfs/dbraw/zinc/95/71/55/590957155.db2.gz YGRUXEBDGXCTDM-CABCVRRESA-N 2 2 349.479 1.349 20 0 EDADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(NC[C@@H](C2CC2)[NH+](C)C)n1)C1CC1 ZINC000892346149 590975095 /nfs/dbraw/zinc/97/50/95/590975095.db2.gz WHGTZPISGKJHRA-HOTGVXAUSA-N 3 2 332.496 1.981 20 0 EDADLP CCOC(=O)c1ncc(C[NH2+]C2(CCO)CC[NH+](C)CC2)s1 ZINC000893603818 591002968 /nfs/dbraw/zinc/00/29/68/591002968.db2.gz ZTEKQBNYQGSAIB-UHFFFAOYSA-N 2 2 327.450 1.256 20 0 EDADLP CC1([NH3+])CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000892514056 591054883 /nfs/dbraw/zinc/05/48/83/591054883.db2.gz UJZMTPSYZCPRDD-UHFFFAOYSA-N 2 2 349.504 1.658 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000891518310 591104340 /nfs/dbraw/zinc/10/43/40/591104340.db2.gz PDYGELPZHYZZIF-MPGHIAIKSA-N 2 2 340.512 1.502 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000893867906 591120808 /nfs/dbraw/zinc/12/08/08/591120808.db2.gz UHYIIYAKUPWWJH-INIZCTEOSA-N 3 2 339.528 1.044 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000893867906 591120811 /nfs/dbraw/zinc/12/08/11/591120811.db2.gz UHYIIYAKUPWWJH-INIZCTEOSA-N 3 2 339.528 1.044 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCCC(C)(C)[NH3+])c1c(F)cccc1F ZINC000891567810 591130031 /nfs/dbraw/zinc/13/00/31/591130031.db2.gz ZUMWKWNYNABJOX-ZDUSSCGKSA-N 2 2 328.407 1.994 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000892757475 591162088 /nfs/dbraw/zinc/16/20/88/591162088.db2.gz JWPFLLKBGHDOTM-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000892757475 591162089 /nfs/dbraw/zinc/16/20/89/591162089.db2.gz JWPFLLKBGHDOTM-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP CC1(C)OC[C@H](C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000892758404 591162564 /nfs/dbraw/zinc/16/25/64/591162564.db2.gz OHKUOOHHKQAIPR-KRWDZBQOSA-N 3 2 334.464 1.335 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891659141 591172042 /nfs/dbraw/zinc/17/20/42/591172042.db2.gz JORJKTXQJRBHDM-IRXDYDNUSA-N 2 2 339.443 1.772 20 0 EDADLP C[C@@H](O)c1cccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)[nH+]1 ZINC000891667034 591177590 /nfs/dbraw/zinc/17/75/90/591177590.db2.gz FZXWLNPLHJWSTJ-CQSZACIVSA-N 2 2 327.432 1.894 20 0 EDADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCC[N@H+](C)C1 ZINC000891706076 591193635 /nfs/dbraw/zinc/19/36/35/591193635.db2.gz YQTZUKAEFOIUAX-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCC[N@@H+](C)C1 ZINC000891706076 591193636 /nfs/dbraw/zinc/19/36/36/591193636.db2.gz YQTZUKAEFOIUAX-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000891705305 591193847 /nfs/dbraw/zinc/19/38/47/591193847.db2.gz PZNBECJHIWAJIK-JKSUJKDBSA-N 2 2 340.431 1.645 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000891705305 591193849 /nfs/dbraw/zinc/19/38/49/591193849.db2.gz PZNBECJHIWAJIK-JKSUJKDBSA-N 2 2 340.431 1.645 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000891731045 591201746 /nfs/dbraw/zinc/20/17/46/591201746.db2.gz MZBMHFQXXFNQAJ-WJCKQCIISA-N 2 2 338.402 1.841 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000891731045 591201748 /nfs/dbraw/zinc/20/17/48/591201748.db2.gz MZBMHFQXXFNQAJ-WJCKQCIISA-N 2 2 338.402 1.841 20 0 EDADLP CCNC(=O)[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894382519 591296815 /nfs/dbraw/zinc/29/68/15/591296815.db2.gz UYCPQILIGFKDRC-JTQLQIEISA-N 2 2 343.374 1.684 20 0 EDADLP CN(Cc1c2c(nn1C)CCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000894460095 591318577 /nfs/dbraw/zinc/31/85/77/591318577.db2.gz SIVPTYRIWXVIQF-INIZCTEOSA-N 2 2 331.508 1.509 20 0 EDADLP CN(Cc1c2c(nn1C)CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000894460095 591318579 /nfs/dbraw/zinc/31/85/79/591318579.db2.gz SIVPTYRIWXVIQF-INIZCTEOSA-N 2 2 331.508 1.509 20 0 EDADLP Cn1nc2c(c1C[N@H+](C)[C@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000894460095 591318581 /nfs/dbraw/zinc/31/85/81/591318581.db2.gz SIVPTYRIWXVIQF-INIZCTEOSA-N 2 2 331.508 1.509 20 0 EDADLP Cn1nc2c(c1C[N@@H+](C)[C@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000894460095 591318583 /nfs/dbraw/zinc/31/85/83/591318583.db2.gz SIVPTYRIWXVIQF-INIZCTEOSA-N 2 2 331.508 1.509 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000896000944 591320434 /nfs/dbraw/zinc/32/04/34/591320434.db2.gz ZGRNOHSIDARAMO-UHFFFAOYSA-N 2 2 343.471 1.927 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000894668288 591381640 /nfs/dbraw/zinc/38/16/40/591381640.db2.gz PEQIVDLANXHXDQ-XHSDSOJGSA-N 2 2 341.496 1.726 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000894668288 591381643 /nfs/dbraw/zinc/38/16/43/591381643.db2.gz PEQIVDLANXHXDQ-XHSDSOJGSA-N 2 2 341.496 1.726 20 0 EDADLP COC(=O)[C@@H]1[C@H](CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771035 591411601 /nfs/dbraw/zinc/41/16/01/591411601.db2.gz VXOMYHJPAXCJLK-ILXRZTDVSA-N 2 2 345.434 1.141 20 0 EDADLP COC(=O)[C@@H]1[C@H](CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771035 591411604 /nfs/dbraw/zinc/41/16/04/591411604.db2.gz VXOMYHJPAXCJLK-ILXRZTDVSA-N 2 2 345.434 1.141 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000898588508 591418613 /nfs/dbraw/zinc/41/86/13/591418613.db2.gz KNUGJCGAOKHGJT-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000898588508 591418617 /nfs/dbraw/zinc/41/86/17/591418617.db2.gz KNUGJCGAOKHGJT-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898588508 591418620 /nfs/dbraw/zinc/41/86/20/591418620.db2.gz KNUGJCGAOKHGJT-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP CC1(C)OC[C@H](C[NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)O1 ZINC000898722287 591489462 /nfs/dbraw/zinc/48/94/62/591489462.db2.gz ZOSBJNHBKRRPIJ-ZJUUUORDSA-N 2 2 330.226 1.702 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@H](c2ccccc2)C1 ZINC000897591733 591572484 /nfs/dbraw/zinc/57/24/84/591572484.db2.gz HGKMILCTDULLAW-RYRKJORJSA-N 2 2 339.443 1.452 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@H](c2ccccc2)C1 ZINC000897591733 591572487 /nfs/dbraw/zinc/57/24/87/591572487.db2.gz HGKMILCTDULLAW-RYRKJORJSA-N 2 2 339.443 1.452 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c2[nH+]ccn21 ZINC000895210466 591659229 /nfs/dbraw/zinc/65/92/29/591659229.db2.gz OPRDYTSBHGDJPS-LXTVHRRPSA-N 2 2 333.436 1.130 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c2[nH+]ccn21 ZINC000895210466 591659231 /nfs/dbraw/zinc/65/92/31/591659231.db2.gz OPRDYTSBHGDJPS-LXTVHRRPSA-N 2 2 333.436 1.130 20 0 EDADLP CN(C(=O)c1cncc2nc[nH]c21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989325 591706318 /nfs/dbraw/zinc/70/63/18/591706318.db2.gz RJNPOUVDHNMTLL-CQSZACIVSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)c1cncc2nc[nH]c21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989325 591706323 /nfs/dbraw/zinc/70/63/23/591706323.db2.gz RJNPOUVDHNMTLL-CQSZACIVSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)c1c[nH]cc2ncnc1-2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989325 591706325 /nfs/dbraw/zinc/70/63/25/591706325.db2.gz RJNPOUVDHNMTLL-CQSZACIVSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)c1c[nH]cc2ncnc1-2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989325 591706329 /nfs/dbraw/zinc/70/63/29/591706329.db2.gz RJNPOUVDHNMTLL-CQSZACIVSA-N 2 2 342.447 1.198 20 0 EDADLP C[C@H](O)C1([NH2+]C2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000895441619 591759275 /nfs/dbraw/zinc/75/92/75/591759275.db2.gz CDXZEABJKKPXGW-ZDUSSCGKSA-N 2 2 327.469 1.479 20 0 EDADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000895440804 591759446 /nfs/dbraw/zinc/75/94/46/591759446.db2.gz YYUCPUCSDNMYNH-SFHVURJKSA-N 2 2 329.444 1.052 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCC[N@@H+]3CCC(C)(C)C3)nc[nH+]2)C1 ZINC000897248169 591785477 /nfs/dbraw/zinc/78/54/77/591785477.db2.gz LJVLVHZCIYKIKT-GJZGRUSLSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCC[N@H+]3CCC(C)(C)C3)nc[nH+]2)C1 ZINC000897248169 591785479 /nfs/dbraw/zinc/78/54/79/591785479.db2.gz LJVLVHZCIYKIKT-GJZGRUSLSA-N 2 2 333.480 1.828 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)c[nH+]1 ZINC000898207541 591817937 /nfs/dbraw/zinc/81/79/37/591817937.db2.gz MPLYPSVDDYQYRU-CABCVRRESA-N 2 2 334.464 1.542 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000898208058 591818772 /nfs/dbraw/zinc/81/87/72/591818772.db2.gz XLNDPVGVPFVBSZ-HUUCEWRRSA-N 2 2 334.464 1.622 20 0 EDADLP C/C(=C\C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000899960993 591840016 /nfs/dbraw/zinc/84/00/16/591840016.db2.gz IARUGYNRFOBVFO-HJUDDPQBSA-N 2 2 347.459 1.811 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000900018178 591869561 /nfs/dbraw/zinc/86/95/61/591869561.db2.gz BQGDMTJNCBOPIJ-LJQANCHMSA-N 2 2 346.519 1.822 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900136936 591914094 /nfs/dbraw/zinc/91/40/94/591914094.db2.gz HULYEGJDWMNARN-SJORKVTESA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900136936 591914096 /nfs/dbraw/zinc/91/40/96/591914096.db2.gz HULYEGJDWMNARN-SJORKVTESA-N 2 2 344.459 1.551 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000900164621 591924436 /nfs/dbraw/zinc/92/44/36/591924436.db2.gz ZVSXNTPAUHBHIG-UHFFFAOYSA-N 2 2 347.507 1.570 20 0 EDADLP CCn1cnc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000902182404 591934342 /nfs/dbraw/zinc/93/43/42/591934342.db2.gz QXIVNPDXIASIKH-LJQANCHMSA-N 2 2 327.476 1.981 20 0 EDADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H](O)C1(O)CCC1)c1cccc(OC)c1 ZINC000899863809 591967775 /nfs/dbraw/zinc/96/77/75/591967775.db2.gz ABBKMXVXBHEZGW-ZWKOTPCHSA-N 2 2 336.476 1.944 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000900289533 591973597 /nfs/dbraw/zinc/97/35/97/591973597.db2.gz UBXGDOSUFYGYEQ-LJQANCHMSA-N 2 2 347.459 1.304 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000900289533 591973600 /nfs/dbraw/zinc/97/36/00/591973600.db2.gz UBXGDOSUFYGYEQ-LJQANCHMSA-N 2 2 347.459 1.304 20 0 EDADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900305437 591981722 /nfs/dbraw/zinc/98/17/22/591981722.db2.gz NWJUQYHHONCZQH-YHKKIHSWSA-N 2 2 325.497 1.892 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H](O)CCc3ccccc3)nn2)CC1 ZINC000900579944 592057935 /nfs/dbraw/zinc/05/79/35/592057935.db2.gz DXWPLQPDEOTPIU-LJQANCHMSA-N 2 2 343.475 1.456 20 0 EDADLP C/C(=C\C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[NH+]1CCOCC1 ZINC000900736476 592112968 /nfs/dbraw/zinc/11/29/68/592112968.db2.gz ZCLPYPMJZNEVCY-MDJJKAFGSA-N 2 2 325.497 1.748 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCN2Cc3ccccc3OCC2=O)C[N@@H+]1C1CC1 ZINC000903182452 592131818 /nfs/dbraw/zinc/13/18/18/592131818.db2.gz QYQKFXWAMRHHSE-ZBFHGGJFSA-N 2 2 329.444 1.622 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCN2Cc3ccccc3OCC2=O)C[N@H+]1C1CC1 ZINC000903182452 592131820 /nfs/dbraw/zinc/13/18/20/592131820.db2.gz QYQKFXWAMRHHSE-ZBFHGGJFSA-N 2 2 329.444 1.622 20 0 EDADLP C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H]1CN(C)CC[NH+]1C ZINC000900811679 592133506 /nfs/dbraw/zinc/13/35/06/592133506.db2.gz MYEOLTBHGSVPLA-VQIMIIECSA-N 2 2 344.503 1.185 20 0 EDADLP C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@H]1CN(C)CC[NH+]1C ZINC000900811679 592133507 /nfs/dbraw/zinc/13/35/07/592133507.db2.gz MYEOLTBHGSVPLA-VQIMIIECSA-N 2 2 344.503 1.185 20 0 EDADLP C[C@@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900811679 592133508 /nfs/dbraw/zinc/13/35/08/592133508.db2.gz MYEOLTBHGSVPLA-VQIMIIECSA-N 2 2 344.503 1.185 20 0 EDADLP C[C@@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1CN(C)CC[N@H+]1C ZINC000900811679 592133509 /nfs/dbraw/zinc/13/35/09/592133509.db2.gz MYEOLTBHGSVPLA-VQIMIIECSA-N 2 2 344.503 1.185 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000900813722 592134550 /nfs/dbraw/zinc/13/45/50/592134550.db2.gz GOHFXCUOMHEITI-LJQANCHMSA-N 2 2 342.443 1.610 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000900813722 592134553 /nfs/dbraw/zinc/13/45/53/592134553.db2.gz GOHFXCUOMHEITI-LJQANCHMSA-N 2 2 342.443 1.610 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900920389 592172333 /nfs/dbraw/zinc/17/23/33/592172333.db2.gz KTGXJTAIXZTWGE-XHSDSOJGSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900920389 592172335 /nfs/dbraw/zinc/17/23/35/592172335.db2.gz KTGXJTAIXZTWGE-XHSDSOJGSA-N 2 2 337.464 1.099 20 0 EDADLP C[N@H+](CCOCCN1C(=O)c2ccccc2C1=O)C1(C[NH3+])CCC1 ZINC000903453602 592173536 /nfs/dbraw/zinc/17/35/36/592173536.db2.gz DGQKZCXRLYWXAW-UHFFFAOYSA-N 2 2 331.416 1.112 20 0 EDADLP C[N@@H+](CCOCCN1C(=O)c2ccccc2C1=O)C1(C[NH3+])CCC1 ZINC000903453602 592173538 /nfs/dbraw/zinc/17/35/38/592173538.db2.gz DGQKZCXRLYWXAW-UHFFFAOYSA-N 2 2 331.416 1.112 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)NCCOc1ccc(Cl)cc1 ZINC000903469358 592174642 /nfs/dbraw/zinc/17/46/42/592174642.db2.gz SZUFNJGMEZMTMW-OAHLLOKOSA-N 2 2 337.851 1.709 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903469996 592175036 /nfs/dbraw/zinc/17/50/36/592175036.db2.gz YZZZHVIERHDNIQ-DYVFJYSZSA-N 2 2 347.459 1.755 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)NCCc1cccc2cccnc21 ZINC000903471774 592175595 /nfs/dbraw/zinc/17/55/95/592175595.db2.gz MFOITDVXSBSANL-KRWDZBQOSA-N 2 2 338.455 1.768 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000900979925 592188600 /nfs/dbraw/zinc/18/86/00/592188600.db2.gz FRXBFLALLXRVJQ-HOTGVXAUSA-N 2 2 336.480 1.932 20 0 EDADLP FC(F)(F)c1ccc(OC2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)nc1 ZINC000903565048 592211988 /nfs/dbraw/zinc/21/19/88/592211988.db2.gz DNUDDJHWNJLBQG-CQSZACIVSA-N 2 2 345.365 1.932 20 0 EDADLP C[NH2+]CCN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)C ZINC000903573350 592225916 /nfs/dbraw/zinc/22/59/16/592225916.db2.gz YBNYCOUFUVMPGW-UHFFFAOYSA-N 2 2 338.521 1.322 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N[C@H]2C[C@H](C[NH3+])C2)c1)[NH+]1CCOCC1 ZINC000904333724 592232259 /nfs/dbraw/zinc/23/22/59/592232259.db2.gz FFMXUJNQZINCSS-ZQIUZPCESA-N 2 2 332.448 1.939 20 0 EDADLP OCC1(C(F)(F)F)CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000904428440 592253746 /nfs/dbraw/zinc/25/37/46/592253746.db2.gz KYFZAJUIGJWRCU-LBPRGKRZSA-N 2 2 347.385 1.339 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000906676564 592256469 /nfs/dbraw/zinc/25/64/69/592256469.db2.gz NBRBBOLMBMIBER-KBPBESRZSA-N 2 2 338.452 1.355 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000906676564 592256472 /nfs/dbraw/zinc/25/64/72/592256472.db2.gz NBRBBOLMBMIBER-KBPBESRZSA-N 2 2 338.452 1.355 20 0 EDADLP C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000906677463 592258955 /nfs/dbraw/zinc/25/89/55/592258955.db2.gz MIOBMZPQRKAMPV-HOCLYGCPSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000906677463 592258958 /nfs/dbraw/zinc/25/89/58/592258958.db2.gz MIOBMZPQRKAMPV-HOCLYGCPSA-N 2 2 347.507 1.560 20 0 EDADLP COc1nc2ccccc2cc1CN1C[C@@H](c2cn(C)c[nH+]2)[C@H]([NH3+])C1 ZINC000904494853 592266955 /nfs/dbraw/zinc/26/69/55/592266955.db2.gz KIYZKEFXCULSQK-HZPDHXFCSA-N 2 2 337.427 1.904 20 0 EDADLP Cn1c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cc2[nH+]c1C1CC1 ZINC000908057430 592278091 /nfs/dbraw/zinc/27/80/91/592278091.db2.gz ZPSLHNYTAHYUFC-KUHUBIRLSA-N 2 2 342.443 1.522 20 0 EDADLP Cn1c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cc2[nH+]c1C1CC1 ZINC000908057430 592278092 /nfs/dbraw/zinc/27/80/92/592278092.db2.gz ZPSLHNYTAHYUFC-KUHUBIRLSA-N 2 2 342.443 1.522 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)[nH+]1 ZINC000906706867 592279340 /nfs/dbraw/zinc/27/93/40/592279340.db2.gz CRZUVCNCZKLFAQ-KRWDZBQOSA-N 2 2 330.476 1.859 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)[nH+]1 ZINC000906706867 592279344 /nfs/dbraw/zinc/27/93/44/592279344.db2.gz CRZUVCNCZKLFAQ-KRWDZBQOSA-N 2 2 330.476 1.859 20 0 EDADLP C/C(=C\C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000901218862 592292502 /nfs/dbraw/zinc/29/25/02/592292502.db2.gz NVCAIFOIZVLOPO-OTMARIDSSA-N 2 2 329.444 1.568 20 0 EDADLP C/C(=C\C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000901218862 592292505 /nfs/dbraw/zinc/29/25/05/592292505.db2.gz NVCAIFOIZVLOPO-OTMARIDSSA-N 2 2 329.444 1.568 20 0 EDADLP CCO[C@H]1C[NH2+][C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)C1 ZINC000904614635 592296267 /nfs/dbraw/zinc/29/62/67/592296267.db2.gz GLORQNMMPVHECE-DGCLKSJQSA-N 2 2 326.360 1.757 20 0 EDADLP [NH3+]CCCSCCc1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000904645994 592303498 /nfs/dbraw/zinc/30/34/98/592303498.db2.gz ZXOOEQNSJIHNOK-STQMWFEESA-N 2 2 326.466 1.620 20 0 EDADLP [NH3+]CCCSCCc1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000904645994 592303502 /nfs/dbraw/zinc/30/35/02/592303502.db2.gz ZXOOEQNSJIHNOK-STQMWFEESA-N 2 2 326.466 1.620 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814612 592324693 /nfs/dbraw/zinc/32/46/93/592324693.db2.gz NSILZSRMRPDPJL-OAHLLOKOSA-N 2 2 333.480 1.959 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814612 592324696 /nfs/dbraw/zinc/32/46/96/592324696.db2.gz NSILZSRMRPDPJL-OAHLLOKOSA-N 2 2 333.480 1.959 20 0 EDADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000903796574 592325416 /nfs/dbraw/zinc/32/54/16/592325416.db2.gz XGTZWOMPMXJZMR-OTWHNJEPSA-N 3 2 345.487 1.639 20 0 EDADLP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000903796574 592325422 /nfs/dbraw/zinc/32/54/22/592325422.db2.gz XGTZWOMPMXJZMR-OTWHNJEPSA-N 3 2 345.487 1.639 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C2 ZINC000908114785 592327929 /nfs/dbraw/zinc/32/79/29/592327929.db2.gz KNGLWNLNVFZLBD-OAHLLOKOSA-N 2 2 342.443 1.791 20 0 EDADLP CN(C)c1cc(-c2cccc(S(=O)(=O)N3CC[NH2+]CC3)c2)cc[nH+]1 ZINC000904848488 592333351 /nfs/dbraw/zinc/33/33/51/592333351.db2.gz BXZXECIBRNHCGQ-UHFFFAOYSA-N 2 2 346.456 1.409 20 0 EDADLP COc1cnc([C@@H]2CCC[N@@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[nH]c1=O ZINC000903830345 592336341 /nfs/dbraw/zinc/33/63/41/592336341.db2.gz ZOOWTSLFSAJGDD-DCGLDWPTSA-N 2 2 334.420 1.096 20 0 EDADLP COc1cnc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[nH]c1=O ZINC000903830345 592336346 /nfs/dbraw/zinc/33/63/46/592336346.db2.gz ZOOWTSLFSAJGDD-DCGLDWPTSA-N 2 2 334.420 1.096 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C[C@@H]1C ZINC000901318797 592339320 /nfs/dbraw/zinc/33/93/20/592339320.db2.gz OZLCKYYHUSDFAP-JYJNAYRXSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C[C@@H]1C ZINC000901318797 592339325 /nfs/dbraw/zinc/33/93/25/592339325.db2.gz OZLCKYYHUSDFAP-JYJNAYRXSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@@H]1C ZINC000901318797 592339330 /nfs/dbraw/zinc/33/93/30/592339330.db2.gz OZLCKYYHUSDFAP-JYJNAYRXSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@@H]1C ZINC000901318797 592339333 /nfs/dbraw/zinc/33/93/33/592339333.db2.gz OZLCKYYHUSDFAP-JYJNAYRXSA-N 2 2 337.464 1.099 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccc(Br)cn1)C2 ZINC000903843437 592342998 /nfs/dbraw/zinc/34/29/98/592342998.db2.gz LFNAWXVFSDYUPX-DLOVCJGASA-N 2 2 339.237 1.594 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccc(Br)cn1)C2 ZINC000903843437 592343001 /nfs/dbraw/zinc/34/30/01/592343001.db2.gz LFNAWXVFSDYUPX-DLOVCJGASA-N 2 2 339.237 1.594 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000906791313 592345063 /nfs/dbraw/zinc/34/50/63/592345063.db2.gz KQCFECRSWJHCFU-DLBZAZTESA-N 2 2 348.491 1.375 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000906791313 592345065 /nfs/dbraw/zinc/34/50/65/592345065.db2.gz KQCFECRSWJHCFU-DLBZAZTESA-N 2 2 348.491 1.375 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([NH+]3CCCCC3)CC2)cnn1C ZINC000903878389 592359131 /nfs/dbraw/zinc/35/91/31/592359131.db2.gz HZYQZYYQZIGRRC-QGZVFWFLSA-N 3 2 333.524 1.796 20 0 EDADLP COc1ccccc1C[N@H+](CCO)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884556 592362347 /nfs/dbraw/zinc/36/23/47/592362347.db2.gz CKGDSPFIEVSQSX-INIZCTEOSA-N 2 2 345.447 1.206 20 0 EDADLP COc1ccccc1C[N@@H+](CCO)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884556 592362350 /nfs/dbraw/zinc/36/23/50/592362350.db2.gz CKGDSPFIEVSQSX-INIZCTEOSA-N 2 2 345.447 1.206 20 0 EDADLP Cc1c(C[C@H](C[NH3+])CN2CCc3c([nH+]c(C(C)C)n3C)C2)cnn1C ZINC000903893269 592366563 /nfs/dbraw/zinc/36/65/63/592366563.db2.gz UCXDERDWTBAJHV-OAHLLOKOSA-N 2 2 344.507 1.761 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cnn1C ZINC000903908741 592374048 /nfs/dbraw/zinc/37/40/48/592374048.db2.gz PBSPICDEKZJPNA-MAUKXSAKSA-N 3 2 329.448 1.394 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cnn1C ZINC000903908741 592374049 /nfs/dbraw/zinc/37/40/49/592374049.db2.gz PBSPICDEKZJPNA-MAUKXSAKSA-N 3 2 329.448 1.394 20 0 EDADLP [NH3+][C@H](C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CC(F)F ZINC000903919483 592377170 /nfs/dbraw/zinc/37/71/70/592377170.db2.gz CWEKTBXVYOOBSL-HNNXBMFYSA-N 3 2 343.418 1.470 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC[C@@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922719 592378145 /nfs/dbraw/zinc/37/81/45/592378145.db2.gz COQSOOPHOKYNTF-KBPBESRZSA-N 2 2 343.418 1.850 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC[C@@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922719 592378150 /nfs/dbraw/zinc/37/81/50/592378150.db2.gz COQSOOPHOKYNTF-KBPBESRZSA-N 2 2 343.418 1.850 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000905089127 592392421 /nfs/dbraw/zinc/39/24/21/592392421.db2.gz NJCSLJJTPMJSRC-RLFYNMQTSA-N 2 2 326.481 1.933 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000905089127 592392427 /nfs/dbraw/zinc/39/24/27/592392427.db2.gz NJCSLJJTPMJSRC-RLFYNMQTSA-N 2 2 326.481 1.933 20 0 EDADLP Cc1cccc2ncc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)n21 ZINC000906905570 592397217 /nfs/dbraw/zinc/39/72/17/592397217.db2.gz ACCBZYLIXCBQMT-UHFFFAOYSA-N 2 2 329.448 1.399 20 0 EDADLP C[NH+](C)CCCOc1cnccc1CNC(=O)CNc1cccc[nH+]1 ZINC000908236638 592398546 /nfs/dbraw/zinc/39/85/46/592398546.db2.gz LSPSNPKLSRILGB-UHFFFAOYSA-N 2 2 343.431 1.535 20 0 EDADLP Cc1cccc([C@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000905123454 592417601 /nfs/dbraw/zinc/41/76/01/592417601.db2.gz YPALUIKAFFMVBQ-RBUKOAKNSA-N 2 2 333.476 1.025 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H](C)C[NH+](C)C(C)C)co2)C1 ZINC000908289107 592426589 /nfs/dbraw/zinc/42/65/89/592426589.db2.gz ZCPHCLPYDJPELZ-KGLIPLIRSA-N 2 2 338.452 1.354 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H](C)C[NH+](C)C(C)C)co2)C1 ZINC000908289107 592426594 /nfs/dbraw/zinc/42/65/94/592426594.db2.gz ZCPHCLPYDJPELZ-KGLIPLIRSA-N 2 2 338.452 1.354 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)co2)C1 ZINC000908289107 592426599 /nfs/dbraw/zinc/42/65/99/592426599.db2.gz ZCPHCLPYDJPELZ-KGLIPLIRSA-N 2 2 338.452 1.354 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)co2)C1 ZINC000908289107 592426602 /nfs/dbraw/zinc/42/66/02/592426602.db2.gz ZCPHCLPYDJPELZ-KGLIPLIRSA-N 2 2 338.452 1.354 20 0 EDADLP CC1([NH+]2CCCC2)CCC(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000905140860 592434921 /nfs/dbraw/zinc/43/49/21/592434921.db2.gz IQGGEWBSSZUWQW-UHFFFAOYSA-N 2 2 338.496 1.415 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccccc1C[NH+]1CCOCC1)C2 ZINC000904303878 592471916 /nfs/dbraw/zinc/47/19/16/592471916.db2.gz KLUBJSCTWQMFTL-UAGQMJEPSA-N 2 2 344.459 1.862 20 0 EDADLP Cc1cccc([C@@H](O)C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000905447479 592528369 /nfs/dbraw/zinc/52/83/69/592528369.db2.gz RJBXOBGCXJBGJR-PMACEKPBSA-N 2 2 347.503 1.415 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CC[NH+](C)[C@H](C)[C@@H]3C)co2)C1 ZINC000907204710 592545395 /nfs/dbraw/zinc/54/53/95/592545395.db2.gz GHUVHFLKIFKWKF-RDBSUJKOSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CC[NH+](C)[C@H](C)[C@@H]3C)co2)C1 ZINC000907204710 592545396 /nfs/dbraw/zinc/54/53/96/592545396.db2.gz GHUVHFLKIFKWKF-RDBSUJKOSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)co2)C1 ZINC000907204710 592545397 /nfs/dbraw/zinc/54/53/97/592545397.db2.gz GHUVHFLKIFKWKF-RDBSUJKOSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)co2)C1 ZINC000907204710 592545398 /nfs/dbraw/zinc/54/53/98/592545398.db2.gz GHUVHFLKIFKWKF-RDBSUJKOSA-N 2 2 336.436 1.060 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@H]3CC(=O)N(C)C3)c2cc1C ZINC000905527327 592562010 /nfs/dbraw/zinc/56/20/10/592562010.db2.gz AJDBNVZGHRYZLA-HOTGVXAUSA-N 2 2 344.459 1.472 20 0 EDADLP OC[C@H]1CCCN1c1cc(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)nc[nH+]1 ZINC000905690744 592605756 /nfs/dbraw/zinc/60/57/56/592605756.db2.gz SAQFYLPHJUWQKW-LSDHHAIUSA-N 2 2 347.463 1.008 20 0 EDADLP CCn1c([C@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000908831710 592636303 /nfs/dbraw/zinc/63/63/03/592636303.db2.gz VYENWTIUUFLXGX-BASYENTBSA-N 2 2 348.495 1.078 20 0 EDADLP CCn1c([C@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000908831710 592636308 /nfs/dbraw/zinc/63/63/08/592636308.db2.gz VYENWTIUUFLXGX-BASYENTBSA-N 2 2 348.495 1.078 20 0 EDADLP CCn1c([C@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000908831710 592636310 /nfs/dbraw/zinc/63/63/10/592636310.db2.gz VYENWTIUUFLXGX-BASYENTBSA-N 2 2 348.495 1.078 20 0 EDADLP CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000907554375 592705692 /nfs/dbraw/zinc/70/56/92/592705692.db2.gz OMJIKHYNDLKOFT-MRXNPFEDSA-N 2 2 345.491 1.029 20 0 EDADLP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000907554375 592705694 /nfs/dbraw/zinc/70/56/94/592705694.db2.gz OMJIKHYNDLKOFT-MRXNPFEDSA-N 2 2 345.491 1.029 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(CC)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000907566790 592712387 /nfs/dbraw/zinc/71/23/87/592712387.db2.gz KBSXYORFJJJRGO-DLBZAZTESA-N 2 2 347.507 1.747 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(CC)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000907566790 592712389 /nfs/dbraw/zinc/71/23/89/592712389.db2.gz KBSXYORFJJJRGO-DLBZAZTESA-N 2 2 347.507 1.747 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907740448 592766910 /nfs/dbraw/zinc/76/69/10/592766910.db2.gz KLAXGGRBMGBUJB-SFHVURJKSA-N 2 2 336.480 1.531 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)c2[nH+]ccn21 ZINC000909213480 592771753 /nfs/dbraw/zinc/77/17/53/592771753.db2.gz AZGXLCMOJMJEPC-LMPOIIKSSA-N 2 2 332.448 1.896 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC000906263270 592777306 /nfs/dbraw/zinc/77/73/06/592777306.db2.gz MEADWLVZEVCKLZ-HNNXBMFYSA-N 2 2 340.435 1.597 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC000906263270 592777309 /nfs/dbraw/zinc/77/73/09/592777309.db2.gz MEADWLVZEVCKLZ-HNNXBMFYSA-N 2 2 340.435 1.597 20 0 EDADLP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000907798072 592799028 /nfs/dbraw/zinc/79/90/28/592799028.db2.gz CMLWXGMDKMJVGP-PMPSAXMXSA-N 2 2 338.477 1.382 20 0 EDADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000906437781 592817538 /nfs/dbraw/zinc/81/75/38/592817538.db2.gz VFHRJLKYKUPMBE-QGZVFWFLSA-N 2 2 346.475 1.131 20 0 EDADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000906437781 592817541 /nfs/dbraw/zinc/81/75/41/592817541.db2.gz VFHRJLKYKUPMBE-QGZVFWFLSA-N 2 2 346.475 1.131 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000906556269 592844085 /nfs/dbraw/zinc/84/40/85/592844085.db2.gz OCXQACKESWFHCP-INIZCTEOSA-N 2 2 349.479 1.276 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000906556269 592844087 /nfs/dbraw/zinc/84/40/87/592844087.db2.gz OCXQACKESWFHCP-INIZCTEOSA-N 2 2 349.479 1.276 20 0 EDADLP CCCN(CC[NH+](C)C)C(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000906581753 592857842 /nfs/dbraw/zinc/85/78/42/592857842.db2.gz YZZIRLFAXHXYKE-AWEZNQCLSA-N 2 2 338.452 1.309 20 0 EDADLP CCCN(CC[NH+](C)C)C(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000906581753 592857844 /nfs/dbraw/zinc/85/78/44/592857844.db2.gz YZZIRLFAXHXYKE-AWEZNQCLSA-N 2 2 338.452 1.309 20 0 EDADLP CN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)C(C)(C)C[NH+]1CCOCC1 ZINC000910573107 592875852 /nfs/dbraw/zinc/87/58/52/592875852.db2.gz OLNABWCQRDQELM-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP CN(C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)C(C)(C)C[NH+]1CCOCC1 ZINC000910573107 592875853 /nfs/dbraw/zinc/87/58/53/592875853.db2.gz OLNABWCQRDQELM-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP Cc1ccccc1[C@H](C)N(C)C(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911411224 592914458 /nfs/dbraw/zinc/91/44/58/592914458.db2.gz GUBGUMQFIYAEJF-HNNXBMFYSA-N 2 2 346.475 1.054 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)O1 ZINC000911739615 592993869 /nfs/dbraw/zinc/99/38/69/592993869.db2.gz VWANGWZCLTWIOG-SUMWQHHRSA-N 2 2 326.400 1.905 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)O1 ZINC000911739615 592993871 /nfs/dbraw/zinc/99/38/71/592993871.db2.gz VWANGWZCLTWIOG-SUMWQHHRSA-N 2 2 326.400 1.905 20 0 EDADLP CC1(C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000911848699 593026200 /nfs/dbraw/zinc/02/62/00/593026200.db2.gz XXLAXMGWUJVFMQ-CVEARBPZSA-N 2 2 346.475 1.377 20 0 EDADLP C[C@@]1(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C[NH+]2CCC1CC2 ZINC000912374629 593091177 /nfs/dbraw/zinc/09/11/77/593091177.db2.gz OEWWHQWHHQMOIU-TZMCWYRMSA-N 2 2 330.354 1.977 20 0 EDADLP CC1=C(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)SCCO1 ZINC000806843051 593120093 /nfs/dbraw/zinc/12/00/93/593120093.db2.gz COJLCVYDKMDLDP-ZDUSSCGKSA-N 2 2 325.478 1.266 20 0 EDADLP CC1=C(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)SCCO1 ZINC000806843051 593120094 /nfs/dbraw/zinc/12/00/94/593120094.db2.gz COJLCVYDKMDLDP-ZDUSSCGKSA-N 2 2 325.478 1.266 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NCC[N@@H+]2CCCOCC2)c1C ZINC000782952277 593131138 /nfs/dbraw/zinc/13/11/38/593131138.db2.gz ACHBGSYYQFZKAW-UHFFFAOYSA-N 2 2 336.436 1.229 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NCC[N@H+]2CCCOCC2)c1C ZINC000782952277 593131139 /nfs/dbraw/zinc/13/11/39/593131139.db2.gz ACHBGSYYQFZKAW-UHFFFAOYSA-N 2 2 336.436 1.229 20 0 EDADLP Cn1cc([C@@H]2N(C[NH+]3CCC(n4cc[nH+]c4)CC3)C(=O)C2(C)C)cn1 ZINC000808161011 593231438 /nfs/dbraw/zinc/23/14/38/593231438.db2.gz UFRQXZDVCSXJSD-INIZCTEOSA-N 2 2 342.447 1.821 20 0 EDADLP Cn1cc([C@H]2N(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171119 593233345 /nfs/dbraw/zinc/23/33/45/593233345.db2.gz ILDRABPWBWHPAY-DJIMGWMZSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171119 593233346 /nfs/dbraw/zinc/23/33/46/593233346.db2.gz ILDRABPWBWHPAY-DJIMGWMZSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171119 593233347 /nfs/dbraw/zinc/23/33/47/593233347.db2.gz ILDRABPWBWHPAY-DJIMGWMZSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171119 593233348 /nfs/dbraw/zinc/23/33/48/593233348.db2.gz ILDRABPWBWHPAY-DJIMGWMZSA-N 2 2 345.491 1.703 20 0 EDADLP CC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000808174690 593233829 /nfs/dbraw/zinc/23/38/29/593233829.db2.gz NMLWMJDHUHTTNQ-YQVWRLOYSA-N 2 2 336.524 1.550 20 0 EDADLP CC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000808174690 593233831 /nfs/dbraw/zinc/23/38/31/593233831.db2.gz NMLWMJDHUHTTNQ-YQVWRLOYSA-N 2 2 336.524 1.550 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000839547905 593338460 /nfs/dbraw/zinc/33/84/60/593338460.db2.gz KAJYNOZWPGQENI-CQSZACIVSA-N 2 2 344.415 1.592 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809985394 593373918 /nfs/dbraw/zinc/37/39/18/593373918.db2.gz KYOPVXOFHZFWOU-OAHLLOKOSA-N 2 2 341.496 1.821 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809985394 593373920 /nfs/dbraw/zinc/37/39/20/593373920.db2.gz KYOPVXOFHZFWOU-OAHLLOKOSA-N 2 2 341.496 1.821 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000840029981 593394255 /nfs/dbraw/zinc/39/42/55/593394255.db2.gz AESGZGKGXAVMTD-SJLPKXTDSA-N 2 2 332.448 1.641 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000840029981 593394257 /nfs/dbraw/zinc/39/42/57/593394257.db2.gz AESGZGKGXAVMTD-SJLPKXTDSA-N 2 2 332.448 1.641 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C3(CCOCC3)[C@@H]2C2CC2)C1 ZINC000840031807 593395977 /nfs/dbraw/zinc/39/59/77/593395977.db2.gz SRCDMOAVXCSNTB-KURKYZTESA-N 2 2 347.503 1.778 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C3(CCOCC3)[C@@H]2C2CC2)C1 ZINC000840031807 593395979 /nfs/dbraw/zinc/39/59/79/593395979.db2.gz SRCDMOAVXCSNTB-KURKYZTESA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)C3(CCOCC3)[C@@H]2C2CC2)C1 ZINC000840031807 593395982 /nfs/dbraw/zinc/39/59/82/593395982.db2.gz SRCDMOAVXCSNTB-KURKYZTESA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)C3(CCOCC3)[C@@H]2C2CC2)C1 ZINC000840031807 593395984 /nfs/dbraw/zinc/39/59/84/593395984.db2.gz SRCDMOAVXCSNTB-KURKYZTESA-N 2 2 347.503 1.778 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3C[C@H](C)[C@@H](C)C3=O)CC2)CC1 ZINC000840039484 593404447 /nfs/dbraw/zinc/40/44/47/593404447.db2.gz VHWKFZIAAGFYQW-DLBZAZTESA-N 2 2 336.524 1.549 20 0 EDADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000805182777 593406304 /nfs/dbraw/zinc/40/63/04/593406304.db2.gz SALCVWRMJXNWMA-GVDBMIGSSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000813329263 593526857 /nfs/dbraw/zinc/52/68/57/593526857.db2.gz ZXSAEPUYZYGKGV-GOEBONIOSA-N 2 2 327.432 1.392 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000813329263 593526859 /nfs/dbraw/zinc/52/68/59/593526859.db2.gz ZXSAEPUYZYGKGV-GOEBONIOSA-N 2 2 327.432 1.392 20 0 EDADLP O=C1COc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2N1 ZINC000816549424 593531110 /nfs/dbraw/zinc/53/11/10/593531110.db2.gz NKNQHNYNWLLWEQ-MRXNPFEDSA-N 2 2 345.443 1.751 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)N[C@H](C)COC)CC2)CC1 ZINC000817567228 593613817 /nfs/dbraw/zinc/61/38/17/593613817.db2.gz TVSVDKNWZMMMFY-OAHLLOKOSA-N 2 2 342.553 1.388 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)N[C@H](C)COC)CC2)CC1 ZINC000817567228 593613819 /nfs/dbraw/zinc/61/38/19/593613819.db2.gz TVSVDKNWZMMMFY-OAHLLOKOSA-N 2 2 342.553 1.388 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(F)n3)CC2)CC1 ZINC000817657464 593620521 /nfs/dbraw/zinc/62/05/21/593620521.db2.gz ZMKRTNKMGYUHSX-UHFFFAOYSA-N 2 2 334.439 1.853 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(F)n3)CC2)CC1 ZINC000817657464 593620523 /nfs/dbraw/zinc/62/05/23/593620523.db2.gz ZMKRTNKMGYUHSX-UHFFFAOYSA-N 2 2 334.439 1.853 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896834 593646734 /nfs/dbraw/zinc/64/67/34/593646734.db2.gz WBIVZPOFFFKVCT-DDTOSNHZSA-N 2 2 326.824 1.732 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)C[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000818908222 593726714 /nfs/dbraw/zinc/72/67/14/593726714.db2.gz WYQZLZCZEOWPET-IBGZPJMESA-N 2 2 342.443 1.454 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)C[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000818908222 593726715 /nfs/dbraw/zinc/72/67/15/593726715.db2.gz WYQZLZCZEOWPET-IBGZPJMESA-N 2 2 342.443 1.454 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000821587211 593870796 /nfs/dbraw/zinc/87/07/96/593870796.db2.gz LSWZXPJKPDTCJZ-UHFFFAOYSA-N 2 2 342.403 1.690 20 0 EDADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1)C[NH+]1CCOCC1 ZINC000820810913 593894893 /nfs/dbraw/zinc/89/48/93/593894893.db2.gz HLEZFVCMTSKVQQ-HOTGVXAUSA-N 2 2 329.448 1.886 20 0 EDADLP CC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821254373 593999004 /nfs/dbraw/zinc/99/90/04/593999004.db2.gz LMRRTTZMWIZVKQ-MRXNPFEDSA-N 2 2 330.436 1.316 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821254373 593999005 /nfs/dbraw/zinc/99/90/05/593999005.db2.gz LMRRTTZMWIZVKQ-MRXNPFEDSA-N 2 2 330.436 1.316 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000822741557 594094021 /nfs/dbraw/zinc/09/40/21/594094021.db2.gz YYWRFSLYIIPFJW-UHFFFAOYSA-N 2 2 327.367 1.993 20 0 EDADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000825451915 594187119 /nfs/dbraw/zinc/18/71/19/594187119.db2.gz LXQFJBUCPUADFN-UHFFFAOYSA-N 2 2 330.436 1.791 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000825451915 594187121 /nfs/dbraw/zinc/18/71/21/594187121.db2.gz LXQFJBUCPUADFN-UHFFFAOYSA-N 2 2 330.436 1.791 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000830549858 594420195 /nfs/dbraw/zinc/42/01/95/594420195.db2.gz SEKWRBSGQMVNIS-HNNXBMFYSA-N 2 2 330.476 1.837 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000830549858 594420198 /nfs/dbraw/zinc/42/01/98/594420198.db2.gz SEKWRBSGQMVNIS-HNNXBMFYSA-N 2 2 330.476 1.837 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)c1c(F)cccc1F)CCO2 ZINC000830637277 594444563 /nfs/dbraw/zinc/44/45/63/594444563.db2.gz KGYBGJAUGVPPBX-HNNXBMFYSA-N 2 2 326.387 1.795 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)c1c(F)cccc1F)CCO2 ZINC000830637277 594444565 /nfs/dbraw/zinc/44/45/65/594444565.db2.gz KGYBGJAUGVPPBX-HNNXBMFYSA-N 2 2 326.387 1.795 20 0 EDADLP c1sc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1-c1nn[nH]n1 ZINC000826527077 594519807 /nfs/dbraw/zinc/51/98/07/594519807.db2.gz YEGHHYCEPZFHFL-UHFFFAOYSA-N 2 2 347.492 1.142 20 0 EDADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000826526952 594520021 /nfs/dbraw/zinc/52/00/21/594520021.db2.gz TUQFTUUPKJMJSE-UHFFFAOYSA-N 2 2 349.402 1.617 20 0 EDADLP [NH3+]Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000826804191 594579183 /nfs/dbraw/zinc/57/91/83/594579183.db2.gz ZZFBAZUJQFYNBP-UHFFFAOYSA-N 2 2 326.400 1.307 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC[NH+]1CC3(C1)CCOCC3)CC2 ZINC000829222354 594583727 /nfs/dbraw/zinc/58/37/27/594583727.db2.gz USDGLWVRJGDSNR-INIZCTEOSA-N 2 2 346.475 1.325 20 0 EDADLP [NH3+][C@H](CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000829359096 594601845 /nfs/dbraw/zinc/60/18/45/594601845.db2.gz WOXKOLCSJXVMBN-QZTJIDSGSA-N 2 2 331.460 1.174 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@H]([NH3+])C3CC3)CC2)c1 ZINC000831388936 594621060 /nfs/dbraw/zinc/62/10/60/594621060.db2.gz ILKFKVUFYHXFHZ-SFHVURJKSA-N 2 2 347.459 1.346 20 0 EDADLP CCO[C@@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)C[NH+](C)C ZINC000831743115 594698467 /nfs/dbraw/zinc/69/84/67/594698467.db2.gz BAABBVUSPOMQDY-KRWDZBQOSA-N 2 2 349.475 1.215 20 0 EDADLP CN(C)c1ccc(CNC(=O)Nc2cccc(OCC[NH3+])c2)c[nH+]1 ZINC000841291986 594882467 /nfs/dbraw/zinc/88/24/67/594882467.db2.gz PIUFSOFREHGIBS-UHFFFAOYSA-N 2 2 329.404 1.807 20 0 EDADLP CN(C(=O)C1SCCCS1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000841394143 594892962 /nfs/dbraw/zinc/89/29/62/594892962.db2.gz WCFDMDTWWUZIDT-AWEZNQCLSA-N 2 2 343.562 1.810 20 0 EDADLP CN(C(=O)C1SCCCS1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000841394143 594892963 /nfs/dbraw/zinc/89/29/63/594892963.db2.gz WCFDMDTWWUZIDT-AWEZNQCLSA-N 2 2 343.562 1.810 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cn1 ZINC000841722430 594943650 /nfs/dbraw/zinc/94/36/50/594943650.db2.gz NUSOOXXCWTVYQD-STQMWFEESA-N 2 2 328.420 1.468 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841837985 594961212 /nfs/dbraw/zinc/96/12/12/594961212.db2.gz IDFCARCBYACCQR-CQSZACIVSA-N 2 2 333.480 1.710 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841837985 594961213 /nfs/dbraw/zinc/96/12/13/594961213.db2.gz IDFCARCBYACCQR-CQSZACIVSA-N 2 2 333.480 1.710 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841863616 594967488 /nfs/dbraw/zinc/96/74/88/594967488.db2.gz CVPZUTZPSDZVMW-OAHLLOKOSA-N 2 2 329.448 1.445 20 0 EDADLP Cc1nc([C@H](C)ONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000842037815 595007342 /nfs/dbraw/zinc/00/73/42/595007342.db2.gz BGCBXWJAOSPPPG-WFASDCNBSA-N 2 2 345.403 1.838 20 0 EDADLP Cc1nc([C@H](C)ONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000842037815 595007345 /nfs/dbraw/zinc/00/73/45/595007345.db2.gz BGCBXWJAOSPPPG-WFASDCNBSA-N 2 2 345.403 1.838 20 0 EDADLP O=C([O-])N1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000834102520 595014769 /nfs/dbraw/zinc/01/47/69/595014769.db2.gz ZFWZAZZSBZWEHU-INIZCTEOSA-N 2 2 347.463 1.326 20 0 EDADLP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000843061952 595276991 /nfs/dbraw/zinc/27/69/91/595276991.db2.gz JQPGNHSOEORUFI-BBRMVZONSA-N 2 2 330.831 1.949 20 0 EDADLP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000843061950 595277065 /nfs/dbraw/zinc/27/70/65/595277065.db2.gz JPWPKICVPRTWDU-WFASDCNBSA-N 2 2 332.366 1.785 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000843086491 595283973 /nfs/dbraw/zinc/28/39/73/595283973.db2.gz FSZYISAEASTBOC-WMLDXEAASA-N 2 2 338.448 1.174 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000843086491 595283976 /nfs/dbraw/zinc/28/39/76/595283976.db2.gz FSZYISAEASTBOC-WMLDXEAASA-N 2 2 338.448 1.174 20 0 EDADLP C[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000844168101 595289420 /nfs/dbraw/zinc/28/94/20/595289420.db2.gz LGUFXADGAQKSQI-GOEBONIOSA-N 2 2 327.432 1.909 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)c1C ZINC000844177249 595292839 /nfs/dbraw/zinc/29/28/39/595292839.db2.gz DJOMCYBXABZXRE-UHFFFAOYSA-N 2 2 343.431 1.299 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000846834680 595323403 /nfs/dbraw/zinc/32/34/03/595323403.db2.gz CWHFBLJBYSCAGH-NSHDSACASA-N 2 2 347.444 1.399 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000846834680 595323406 /nfs/dbraw/zinc/32/34/06/595323406.db2.gz CWHFBLJBYSCAGH-NSHDSACASA-N 2 2 347.444 1.399 20 0 EDADLP CC(=O)C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000846954897 595342004 /nfs/dbraw/zinc/34/20/04/595342004.db2.gz YPQXDIDUXPJPEE-UHFFFAOYSA-N 2 2 344.459 1.421 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C[C@H](C(=O)OC(C)(C)C)CC1=O ZINC000844696192 595376196 /nfs/dbraw/zinc/37/61/96/595376196.db2.gz CJSDUIYVODWALG-CQSZACIVSA-N 2 2 336.436 1.353 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C[C@H](C(=O)OC(C)(C)C)CC1=O ZINC000844696192 595376199 /nfs/dbraw/zinc/37/61/99/595376199.db2.gz CJSDUIYVODWALG-CQSZACIVSA-N 2 2 336.436 1.353 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000848531989 595402941 /nfs/dbraw/zinc/40/29/41/595402941.db2.gz YNYNIJMQYAQJMN-HZPDHXFCSA-N 2 2 339.480 1.839 20 0 EDADLP COC(=O)N1CCC([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000848545981 595404279 /nfs/dbraw/zinc/40/42/79/595404279.db2.gz PDJDMLPAQHCBSD-WMLDXEAASA-N 2 2 339.480 1.696 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)[C@H](Cc2ccccc2)C1 ZINC000845226910 595464598 /nfs/dbraw/zinc/46/45/98/595464598.db2.gz WSKZAOVANJJVHQ-IAGOWNOFSA-N 2 2 339.443 1.896 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)[C@H](Cc2ccccc2)C1 ZINC000845226910 595464599 /nfs/dbraw/zinc/46/45/99/595464599.db2.gz WSKZAOVANJJVHQ-IAGOWNOFSA-N 2 2 339.443 1.896 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C=C3CC[NH2+]CC3)c[nH+]2)C[C@H](C)O1 ZINC000852858358 595580065 /nfs/dbraw/zinc/58/00/65/595580065.db2.gz ZUZSKFBSZBZKKH-GJZGRUSLSA-N 2 2 344.459 1.621 20 0 EDADLP CN(C(=O)c1ccc(F)c(N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852913026 595612184 /nfs/dbraw/zinc/61/21/84/595612184.db2.gz KGXSLHSTTPIXBF-HNNXBMFYSA-N 2 2 334.439 1.648 20 0 EDADLP CN(C(=O)c1ccc(F)c(N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852913026 595612187 /nfs/dbraw/zinc/61/21/87/595612187.db2.gz KGXSLHSTTPIXBF-HNNXBMFYSA-N 2 2 334.439 1.648 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000857841574 595629840 /nfs/dbraw/zinc/62/98/40/595629840.db2.gz MJPRNFRLHVRXRF-APWZRJJASA-N 2 2 342.443 1.197 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000857841574 595629845 /nfs/dbraw/zinc/62/98/45/595629845.db2.gz MJPRNFRLHVRXRF-APWZRJJASA-N 2 2 342.443 1.197 20 0 EDADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000857887205 595642536 /nfs/dbraw/zinc/64/25/36/595642536.db2.gz PIDSVAAAUDFTPB-CDVVCGDMSA-N 2 2 340.427 1.578 20 0 EDADLP Cc1nn(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1Cl ZINC000855416596 595705763 /nfs/dbraw/zinc/70/57/63/595705763.db2.gz PCYZQHIUGNCUPV-UHFFFAOYSA-N 2 2 329.876 1.153 20 0 EDADLP Cc1nn(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1Cl ZINC000855416596 595705765 /nfs/dbraw/zinc/70/57/65/595705765.db2.gz PCYZQHIUGNCUPV-UHFFFAOYSA-N 2 2 329.876 1.153 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000858128434 595707933 /nfs/dbraw/zinc/70/79/33/595707933.db2.gz NPOZRNXASLLUEZ-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000858128434 595707936 /nfs/dbraw/zinc/70/79/36/595707936.db2.gz NPOZRNXASLLUEZ-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000860572388 595729682 /nfs/dbraw/zinc/72/96/82/595729682.db2.gz VGNMAFYESRVIEH-UHFFFAOYSA-N 2 2 348.472 1.614 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000860572388 595729683 /nfs/dbraw/zinc/72/96/83/595729683.db2.gz VGNMAFYESRVIEH-UHFFFAOYSA-N 2 2 348.472 1.614 20 0 EDADLP Cn1ccnc1[C@](O)(C[NH2+]Cc1c[nH+]c2n1CCC2)C(F)(F)F ZINC000850134470 595749129 /nfs/dbraw/zinc/74/91/29/595749129.db2.gz AIFANLDOPVYSIE-CYBMUJFWSA-N 2 2 329.326 1.103 20 0 EDADLP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)n1 ZINC000858326869 595765076 /nfs/dbraw/zinc/76/50/76/595765076.db2.gz HQULQMISPMGNGP-DZGCQCFKSA-N 2 2 326.360 1.579 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000858480769 595806730 /nfs/dbraw/zinc/80/67/30/595806730.db2.gz CHDWZQZJVNAVDJ-ZJIFWQFVSA-N 2 2 341.496 1.989 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000858480769 595806732 /nfs/dbraw/zinc/80/67/32/595806732.db2.gz CHDWZQZJVNAVDJ-ZJIFWQFVSA-N 2 2 341.496 1.989 20 0 EDADLP Cc1c([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cnn1-c1ccccc1 ZINC000854231850 596009516 /nfs/dbraw/zinc/00/95/16/596009516.db2.gz NVDCCNPRFVPDAY-GFCCVEGCSA-N 2 2 338.415 1.986 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cn(C)nn3)C2)ccn1 ZINC000856560878 596018406 /nfs/dbraw/zinc/01/84/06/596018406.db2.gz PUELRJBGCPSXBW-SFHVURJKSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cn(C)nn3)C2)ccn1 ZINC000856560878 596018409 /nfs/dbraw/zinc/01/84/09/596018409.db2.gz PUELRJBGCPSXBW-SFHVURJKSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cn(C)nn3)C2)ccn1 ZINC000856560878 596018412 /nfs/dbraw/zinc/01/84/12/596018412.db2.gz PUELRJBGCPSXBW-SFHVURJKSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cn(C)nn3)C2)ccn1 ZINC000856560878 596018415 /nfs/dbraw/zinc/01/84/15/596018415.db2.gz PUELRJBGCPSXBW-SFHVURJKSA-N 2 2 344.463 1.704 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000852048007 596023584 /nfs/dbraw/zinc/02/35/84/596023584.db2.gz MQHQYPRISLSQMJ-HZPDHXFCSA-N 2 2 329.485 1.630 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000852048007 596023586 /nfs/dbraw/zinc/02/35/86/596023586.db2.gz MQHQYPRISLSQMJ-HZPDHXFCSA-N 2 2 329.485 1.630 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000852048007 596023589 /nfs/dbraw/zinc/02/35/89/596023589.db2.gz MQHQYPRISLSQMJ-HZPDHXFCSA-N 2 2 329.485 1.630 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000852048007 596023592 /nfs/dbraw/zinc/02/35/92/596023592.db2.gz MQHQYPRISLSQMJ-HZPDHXFCSA-N 2 2 329.485 1.630 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000861550527 596027240 /nfs/dbraw/zinc/02/72/40/596027240.db2.gz MTJRBLFIMPIFFA-IUODEOHRSA-N 2 2 329.404 1.179 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000861554814 596028342 /nfs/dbraw/zinc/02/83/42/596028342.db2.gz XCNDJAGVXRJQAM-DOTOQJQBSA-N 2 2 334.464 1.357 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000852122689 596051108 /nfs/dbraw/zinc/05/11/08/596051108.db2.gz AGVFAZLSZXVMAH-INIZCTEOSA-N 2 2 325.428 1.327 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CC2CC1(CNC(=O)OC(C)(C)C)C2)C1CC1 ZINC000852528505 596190213 /nfs/dbraw/zinc/19/02/13/596190213.db2.gz IGIGRTWCWBIDIF-DBQDNQAGSA-N 2 2 339.480 1.431 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CC2CC1(CNC(=O)OC(C)(C)C)C2)C1CC1 ZINC000852528505 596190216 /nfs/dbraw/zinc/19/02/16/596190216.db2.gz IGIGRTWCWBIDIF-DBQDNQAGSA-N 2 2 339.480 1.431 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2)C1CC1 ZINC000852528505 596190218 /nfs/dbraw/zinc/19/02/18/596190218.db2.gz IGIGRTWCWBIDIF-DBQDNQAGSA-N 2 2 339.480 1.431 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2)C1CC1 ZINC000852528505 596190219 /nfs/dbraw/zinc/19/02/19/596190219.db2.gz IGIGRTWCWBIDIF-DBQDNQAGSA-N 2 2 339.480 1.431 20 0 EDADLP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)OCc1ccccc1 ZINC000852707762 596230736 /nfs/dbraw/zinc/23/07/36/596230736.db2.gz KFLDROQXZOFXTO-SFHVURJKSA-N 2 2 332.444 1.651 20 0 EDADLP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)OCc1ccccc1 ZINC000852707762 596230738 /nfs/dbraw/zinc/23/07/38/596230738.db2.gz KFLDROQXZOFXTO-SFHVURJKSA-N 2 2 332.444 1.651 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)Cc3ccc[nH+]c3N2C1 ZINC000870535261 596274254 /nfs/dbraw/zinc/27/42/54/596274254.db2.gz KPHCHYUQYGMTER-CVEARBPZSA-N 2 2 341.415 1.223 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000864625852 596288674 /nfs/dbraw/zinc/28/86/74/596288674.db2.gz YGFLRJGPGZHZJP-YVMONPNESA-N 2 2 343.471 1.787 20 0 EDADLP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866707523 596301985 /nfs/dbraw/zinc/30/19/85/596301985.db2.gz APSVHCIDMSYBSG-SYQHCUMBSA-N 2 2 349.435 1.340 20 0 EDADLP CCCCc1noc([C@@H](C)[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866707523 596301988 /nfs/dbraw/zinc/30/19/88/596301988.db2.gz APSVHCIDMSYBSG-SYQHCUMBSA-N 2 2 349.435 1.340 20 0 EDADLP C[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000870970668 596422288 /nfs/dbraw/zinc/42/22/88/596422288.db2.gz DMLQUKXUUAFZOV-IIAWOOMASA-N 2 2 334.439 1.190 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864982546 596434790 /nfs/dbraw/zinc/43/47/90/596434790.db2.gz UIUVFYJZFSOCCK-KRWUTGMMSA-N 2 2 343.471 1.827 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864982546 596434794 /nfs/dbraw/zinc/43/47/94/596434794.db2.gz UIUVFYJZFSOCCK-KRWUTGMMSA-N 2 2 343.471 1.827 20 0 EDADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865040961 596453657 /nfs/dbraw/zinc/45/36/57/596453657.db2.gz FSSYWCCBZOXKTL-QGZVFWFLSA-N 2 2 330.432 1.814 20 0 EDADLP O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CCC([NH+]2CCOCC2)CC1 ZINC000869281659 596472367 /nfs/dbraw/zinc/47/23/67/596472367.db2.gz JRKUAOYWVINQMD-AWEZNQCLSA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CCC([NH+]2CCOCC2)CC1 ZINC000869281659 596472370 /nfs/dbraw/zinc/47/23/70/596472370.db2.gz JRKUAOYWVINQMD-AWEZNQCLSA-N 2 2 345.434 1.287 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000867640090 596475652 /nfs/dbraw/zinc/47/56/52/596475652.db2.gz PNACQINUORBUSF-ZIAGYGMSSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000867640090 596475654 /nfs/dbraw/zinc/47/56/54/596475654.db2.gz PNACQINUORBUSF-ZIAGYGMSSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867640090 596475655 /nfs/dbraw/zinc/47/56/55/596475655.db2.gz PNACQINUORBUSF-ZIAGYGMSSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867640090 596475657 /nfs/dbraw/zinc/47/56/57/596475657.db2.gz PNACQINUORBUSF-ZIAGYGMSSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000867640088 596475706 /nfs/dbraw/zinc/47/57/06/596475706.db2.gz PNACQINUORBUSF-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000867640088 596475708 /nfs/dbraw/zinc/47/57/08/596475708.db2.gz PNACQINUORBUSF-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867640088 596475710 /nfs/dbraw/zinc/47/57/10/596475710.db2.gz PNACQINUORBUSF-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867640088 596475712 /nfs/dbraw/zinc/47/57/12/596475712.db2.gz PNACQINUORBUSF-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP CC[NH+]1CCC(n2nccc2NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865124789 596485494 /nfs/dbraw/zinc/48/54/94/596485494.db2.gz GGCHFPGOOMEMMC-ONEGZZNKSA-N 2 2 347.463 1.367 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)/C=C\C[NH+]3CCOCC3)C2)cc1 ZINC000871188975 596494429 /nfs/dbraw/zinc/49/44/29/596494429.db2.gz WKFDBAAGCGMHIS-AXMVSILFSA-N 2 2 343.471 1.574 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)/C=C\C[NH+]3CCOCC3)C2)cc1 ZINC000871188975 596494432 /nfs/dbraw/zinc/49/44/32/596494432.db2.gz WKFDBAAGCGMHIS-AXMVSILFSA-N 2 2 343.471 1.574 20 0 EDADLP CC(=O)NCC1CCC([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000865403901 596563965 /nfs/dbraw/zinc/56/39/65/596563965.db2.gz UWJUMSOOWCKWGD-ABHNRTSZSA-N 2 2 325.497 1.628 20 0 EDADLP CC(=O)NCC1CCC([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000865403901 596563969 /nfs/dbraw/zinc/56/39/69/596563969.db2.gz UWJUMSOOWCKWGD-ABHNRTSZSA-N 2 2 325.497 1.628 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CCCO1 ZINC000867826506 596573889 /nfs/dbraw/zinc/57/38/89/596573889.db2.gz LJZNVLNFXHVHDY-LSDHHAIUSA-N 2 2 347.450 1.581 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CCCO1 ZINC000867826506 596573891 /nfs/dbraw/zinc/57/38/91/596573891.db2.gz LJZNVLNFXHVHDY-LSDHHAIUSA-N 2 2 347.450 1.581 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CCCO1 ZINC000867826506 596573894 /nfs/dbraw/zinc/57/38/94/596573894.db2.gz LJZNVLNFXHVHDY-LSDHHAIUSA-N 2 2 347.450 1.581 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CCCO1 ZINC000867826506 596573897 /nfs/dbraw/zinc/57/38/97/596573897.db2.gz LJZNVLNFXHVHDY-LSDHHAIUSA-N 2 2 347.450 1.581 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CC1 ZINC000871419342 596577059 /nfs/dbraw/zinc/57/70/59/596577059.db2.gz DCJUGDHPAOBWBN-QGZVFWFLSA-N 2 2 343.475 1.030 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865444500 596577195 /nfs/dbraw/zinc/57/71/95/596577195.db2.gz YROWJDAJSRLMSF-KRWDZBQOSA-N 2 2 337.468 1.048 20 0 EDADLP COCC[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000865449758 596578686 /nfs/dbraw/zinc/57/86/86/596578686.db2.gz DOGLLBQSSZSJMJ-KGLIPLIRSA-N 2 2 327.469 1.743 20 0 EDADLP COCC[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000865449758 596578689 /nfs/dbraw/zinc/57/86/89/596578689.db2.gz DOGLLBQSSZSJMJ-KGLIPLIRSA-N 2 2 327.469 1.743 20 0 EDADLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(-c2cc(F)ccc2F)n1 ZINC000865458784 596581742 /nfs/dbraw/zinc/58/17/42/596581742.db2.gz OCYXJJUAORSKHB-OAHLLOKOSA-N 2 2 349.429 1.701 20 0 EDADLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(-c2cc(F)ccc2F)n1 ZINC000865458784 596581744 /nfs/dbraw/zinc/58/17/44/596581744.db2.gz OCYXJJUAORSKHB-OAHLLOKOSA-N 2 2 349.429 1.701 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1)C[NH+]1CCCC1 ZINC000863557895 596618519 /nfs/dbraw/zinc/61/85/19/596618519.db2.gz SIGALBLRJFWVEK-IRXDYDNUSA-N 2 2 345.443 1.161 20 0 EDADLP O=C(OCc1ccccc1)N1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000863558117 596618536 /nfs/dbraw/zinc/61/85/36/596618536.db2.gz WQANIYCCMWNSGP-KRWDZBQOSA-N 2 2 333.432 1.054 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cc(OC)c1OC ZINC000865658498 596641322 /nfs/dbraw/zinc/64/13/22/596641322.db2.gz QARIGGFGKGSUQH-AWEZNQCLSA-N 2 2 338.448 1.647 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cc(OC)c1OC ZINC000865658498 596641324 /nfs/dbraw/zinc/64/13/24/596641324.db2.gz QARIGGFGKGSUQH-AWEZNQCLSA-N 2 2 338.448 1.647 20 0 EDADLP CC[NH2+][C@@H](C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000863669452 596651989 /nfs/dbraw/zinc/65/19/89/596651989.db2.gz XKHCVHYOCDYONH-ZDUSSCGKSA-N 2 2 343.431 1.795 20 0 EDADLP CCCNc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)nc[nH+]1 ZINC000865861472 596703688 /nfs/dbraw/zinc/70/36/88/596703688.db2.gz SVOWEUPXJGOPSQ-CQSZACIVSA-N 2 2 332.452 1.089 20 0 EDADLP CC[C@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)C(=O)N(C)c1ccc(C)cc1 ZINC000871876456 596725307 /nfs/dbraw/zinc/72/53/07/596725307.db2.gz ZFEDHQYRZKDSGQ-MSOLQXFVSA-N 2 2 330.476 1.326 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[NH2+]2)c1 ZINC000870152721 596776648 /nfs/dbraw/zinc/77/66/48/596776648.db2.gz DKCZXFLVYGIVAX-DYVFJYSZSA-N 2 2 328.416 1.770 20 0 EDADLP C[N@@H+]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCC1(C)C ZINC000866113988 596793322 /nfs/dbraw/zinc/79/33/22/596793322.db2.gz GUHFHOHPGKCOLR-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP C[N@H+]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCC1(C)C ZINC000866113988 596793325 /nfs/dbraw/zinc/79/33/25/596793325.db2.gz GUHFHOHPGKCOLR-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000872110174 596807642 /nfs/dbraw/zinc/80/76/42/596807642.db2.gz WHXPKBBZLNUCHE-NZSAHSFTSA-N 2 2 337.508 1.330 20 0 EDADLP C(C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1)N1CCOCC1 ZINC000872110174 596807645 /nfs/dbraw/zinc/80/76/45/596807645.db2.gz WHXPKBBZLNUCHE-NZSAHSFTSA-N 2 2 337.508 1.330 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000872146490 596809838 /nfs/dbraw/zinc/80/98/38/596809838.db2.gz PBCNVNGMRMZEHA-BZUAXINKSA-N 2 2 338.473 1.104 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000872146490 596809841 /nfs/dbraw/zinc/80/98/41/596809841.db2.gz PBCNVNGMRMZEHA-BZUAXINKSA-N 2 2 338.473 1.104 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147017 596810889 /nfs/dbraw/zinc/81/08/89/596810889.db2.gz CCKZRLOAWONPSD-NQBHXWOUSA-N 2 2 349.422 1.864 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147017 596810893 /nfs/dbraw/zinc/81/08/93/596810893.db2.gz CCKZRLOAWONPSD-NQBHXWOUSA-N 2 2 349.422 1.864 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C[C@@H]1C(F)(F)F ZINC000872151580 596813575 /nfs/dbraw/zinc/81/35/75/596813575.db2.gz WNFWEWGQEVVQHI-XBFCOCLRSA-N 2 2 327.350 1.861 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C[C@@H]1C(F)(F)F ZINC000872151580 596813577 /nfs/dbraw/zinc/81/35/77/596813577.db2.gz WNFWEWGQEVVQHI-XBFCOCLRSA-N 2 2 327.350 1.861 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153320 596814071 /nfs/dbraw/zinc/81/40/71/596814071.db2.gz IWQNTTYDMWUJEA-BIENJYKASA-N 2 2 345.443 1.716 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153320 596814073 /nfs/dbraw/zinc/81/40/73/596814073.db2.gz IWQNTTYDMWUJEA-BIENJYKASA-N 2 2 345.443 1.716 20 0 EDADLP COC[C@]1(c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)CCCC[NH2+]1 ZINC000872174763 596820435 /nfs/dbraw/zinc/82/04/35/596820435.db2.gz LDILFUMTXQXIMZ-KRWDZBQOSA-N 2 2 340.387 1.933 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+](Cc2ccccc2)C1 ZINC000872200277 596832212 /nfs/dbraw/zinc/83/22/12/596832212.db2.gz YZAPUNWDNCYBEI-AABGKKOBSA-N 3 2 345.487 1.076 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+](Cc2ccccc2)C1 ZINC000872200277 596832216 /nfs/dbraw/zinc/83/22/16/596832216.db2.gz YZAPUNWDNCYBEI-AABGKKOBSA-N 3 2 345.487 1.076 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+](Cc2ccccc2)C1 ZINC000872200277 596832222 /nfs/dbraw/zinc/83/22/22/596832222.db2.gz YZAPUNWDNCYBEI-AABGKKOBSA-N 3 2 345.487 1.076 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000872200277 596832223 /nfs/dbraw/zinc/83/22/23/596832223.db2.gz YZAPUNWDNCYBEI-AABGKKOBSA-N 3 2 345.487 1.076 20 0 EDADLP C(C[C@H]1CCSC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000866402765 596876671 /nfs/dbraw/zinc/87/66/71/596876671.db2.gz OFIKPKHPUXUCMJ-INIZCTEOSA-N 2 2 327.538 1.516 20 0 EDADLP C(C[C@H]1CCSC1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000866402765 596876673 /nfs/dbraw/zinc/87/66/73/596876673.db2.gz OFIKPKHPUXUCMJ-INIZCTEOSA-N 2 2 327.538 1.516 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411364 596879445 /nfs/dbraw/zinc/87/94/45/596879445.db2.gz KNKWSUXJSLYKQU-GJZGRUSLSA-N 2 2 349.475 1.847 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411364 596879448 /nfs/dbraw/zinc/87/94/48/596879448.db2.gz KNKWSUXJSLYKQU-GJZGRUSLSA-N 2 2 349.475 1.847 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)C[C@H]1C ZINC000866412687 596880026 /nfs/dbraw/zinc/88/00/26/596880026.db2.gz BAUXKLBDLQHRIZ-FXUDXRNXSA-N 2 2 326.481 1.789 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)C[C@H]1C ZINC000866412687 596880030 /nfs/dbraw/zinc/88/00/30/596880030.db2.gz BAUXKLBDLQHRIZ-FXUDXRNXSA-N 2 2 326.481 1.789 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CC(F)F)C3)C2)C1 ZINC000868572510 596886925 /nfs/dbraw/zinc/88/69/25/596886925.db2.gz SEWXFRCVFSRUAT-YOEHRIQHSA-N 2 2 329.435 1.908 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CC(F)F)C3)C2)C1 ZINC000868572510 596886926 /nfs/dbraw/zinc/88/69/26/596886926.db2.gz SEWXFRCVFSRUAT-YOEHRIQHSA-N 2 2 329.435 1.908 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CC(F)F)C3)C2)C1 ZINC000868572510 596886927 /nfs/dbraw/zinc/88/69/27/596886927.db2.gz SEWXFRCVFSRUAT-YOEHRIQHSA-N 2 2 329.435 1.908 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+](CC(F)F)C3)C2)C1 ZINC000868572510 596886928 /nfs/dbraw/zinc/88/69/28/596886928.db2.gz SEWXFRCVFSRUAT-YOEHRIQHSA-N 2 2 329.435 1.908 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000875598817 596911569 /nfs/dbraw/zinc/91/15/69/596911569.db2.gz LMYMNLNUZBMEBT-OAHLLOKOSA-N 2 2 349.479 1.267 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000875598817 596911574 /nfs/dbraw/zinc/91/15/74/596911574.db2.gz LMYMNLNUZBMEBT-OAHLLOKOSA-N 2 2 349.479 1.267 20 0 EDADLP COC(=O)c1ncn(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000125580217 596979490 /nfs/dbraw/zinc/97/94/90/596979490.db2.gz MNIULDHXTLMFHA-HNNXBMFYSA-N 2 2 349.479 1.999 20 0 EDADLP COC(=O)c1ncn(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000125580217 596979492 /nfs/dbraw/zinc/97/94/92/596979492.db2.gz MNIULDHXTLMFHA-HNNXBMFYSA-N 2 2 349.479 1.999 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000874253558 596986940 /nfs/dbraw/zinc/98/69/40/596986940.db2.gz RVYRWXODKYSDQP-XQQFMLRXSA-N 2 2 346.353 1.356 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000874253558 596986941 /nfs/dbraw/zinc/98/69/41/596986941.db2.gz RVYRWXODKYSDQP-XQQFMLRXSA-N 2 2 346.353 1.356 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(CC(F)F)C2CCC2)CC1 ZINC000888684044 597018521 /nfs/dbraw/zinc/01/85/21/597018521.db2.gz TXLMFYWSURUGFL-UHFFFAOYSA-N 2 2 332.439 1.842 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000872726676 597047648 /nfs/dbraw/zinc/04/76/48/597047648.db2.gz UHRWOVHWFSKSCL-GDBMZVCRSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC000872726676 597047649 /nfs/dbraw/zinc/04/76/49/597047649.db2.gz UHRWOVHWFSKSCL-GDBMZVCRSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000872726676 597047654 /nfs/dbraw/zinc/04/76/54/597047654.db2.gz UHRWOVHWFSKSCL-GDBMZVCRSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000872726676 597047660 /nfs/dbraw/zinc/04/76/60/597047660.db2.gz UHRWOVHWFSKSCL-GDBMZVCRSA-N 2 2 328.416 1.806 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876204203 597134135 /nfs/dbraw/zinc/13/41/35/597134135.db2.gz KKHZWAGEWJYAJI-SOLBZPMBSA-N 2 2 344.459 1.336 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876204203 597134136 /nfs/dbraw/zinc/13/41/36/597134136.db2.gz KKHZWAGEWJYAJI-SOLBZPMBSA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876204203 597134138 /nfs/dbraw/zinc/13/41/38/597134138.db2.gz KKHZWAGEWJYAJI-SOLBZPMBSA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876204203 597134140 /nfs/dbraw/zinc/13/41/40/597134140.db2.gz KKHZWAGEWJYAJI-SOLBZPMBSA-N 2 2 344.459 1.336 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000874711700 597157192 /nfs/dbraw/zinc/15/71/92/597157192.db2.gz YYWBJQAGHLSGBW-OLZOCXBDSA-N 2 2 348.369 1.604 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000874711700 597157196 /nfs/dbraw/zinc/15/71/96/597157196.db2.gz YYWBJQAGHLSGBW-OLZOCXBDSA-N 2 2 348.369 1.604 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)c(F)c2)C[C@H]1C(F)(F)F ZINC000873227063 597234367 /nfs/dbraw/zinc/23/43/67/597234367.db2.gz GDJWBLICMZKJCO-VXGBXAGGSA-N 2 2 343.328 1.975 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)C[C@H]1C(F)(F)F ZINC000873227063 597234369 /nfs/dbraw/zinc/23/43/69/597234369.db2.gz GDJWBLICMZKJCO-VXGBXAGGSA-N 2 2 343.328 1.975 20 0 EDADLP Cn1ncc2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cnc21 ZINC000876546822 597235053 /nfs/dbraw/zinc/23/50/53/597235053.db2.gz XKFLKRWFXOJYJL-UHFFFAOYSA-N 2 2 328.464 1.182 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247061 597238973 /nfs/dbraw/zinc/23/89/73/597238973.db2.gz HMVDJXXQYRCABO-SCLBCKFNSA-N 3 2 326.448 1.298 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247061 597238976 /nfs/dbraw/zinc/23/89/76/597238976.db2.gz HMVDJXXQYRCABO-SCLBCKFNSA-N 3 2 326.448 1.298 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000875020791 597247422 /nfs/dbraw/zinc/24/74/22/597247422.db2.gz UGHOWCBYZYGMFM-KRWDZBQOSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000875020791 597247424 /nfs/dbraw/zinc/24/74/24/597247424.db2.gz UGHOWCBYZYGMFM-KRWDZBQOSA-N 2 2 340.512 1.518 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000876757016 597325565 /nfs/dbraw/zinc/32/55/65/597325565.db2.gz AAWXYXOAKSHHRW-OKZBNKHCSA-N 2 2 345.487 1.420 20 0 EDADLP COC[C@]1(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)CCCC[NH2+]1 ZINC000876774766 597334620 /nfs/dbraw/zinc/33/46/20/597334620.db2.gz GSHJLGKTEKJUQG-INIZCTEOSA-N 2 2 333.423 1.333 20 0 EDADLP COC[C@]1(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)CCCC[NH2+]1 ZINC000876774766 597334625 /nfs/dbraw/zinc/33/46/25/597334625.db2.gz GSHJLGKTEKJUQG-INIZCTEOSA-N 2 2 333.423 1.333 20 0 EDADLP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876893399 597372997 /nfs/dbraw/zinc/37/29/97/597372997.db2.gz OTXHCNNVPOVXCM-RRFJBIMHSA-N 2 2 342.846 1.229 20 0 EDADLP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876893399 597373001 /nfs/dbraw/zinc/37/30/01/597373001.db2.gz OTXHCNNVPOVXCM-RRFJBIMHSA-N 2 2 342.846 1.229 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1)[NH+](C)C ZINC000873891520 597435583 /nfs/dbraw/zinc/43/55/83/597435583.db2.gz COJIDOBSDSWKCB-OAHLLOKOSA-N 2 2 326.444 1.829 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877247414 597477926 /nfs/dbraw/zinc/47/79/26/597477926.db2.gz KGUXAFRELQXIMZ-UKRRQHHQSA-N 2 2 327.350 1.831 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877247414 597477928 /nfs/dbraw/zinc/47/79/28/597477928.db2.gz KGUXAFRELQXIMZ-UKRRQHHQSA-N 2 2 327.350 1.831 20 0 EDADLP COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2 ZINC000877427891 597513765 /nfs/dbraw/zinc/51/37/65/597513765.db2.gz BXZDIVBAJLABQG-WFASDCNBSA-N 2 2 335.448 1.429 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cc3cc4c(cc[nH]c4=O)o3)CC2)CC1 ZINC000877746986 597552879 /nfs/dbraw/zinc/55/28/79/597552879.db2.gz QHEBTHHFHNZQAJ-UHFFFAOYSA-N 2 2 330.432 1.745 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000877747261 597552949 /nfs/dbraw/zinc/55/29/49/597552949.db2.gz FRDQTGKWWIRADS-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCc2nnnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000878173311 597584139 /nfs/dbraw/zinc/58/41/39/597584139.db2.gz VTJDFQCGXPMUJT-DOTOQJQBSA-N 2 2 328.464 1.738 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCc2nnnn2C)CC[N@H+]1Cc1ccccc1 ZINC000878173311 597584140 /nfs/dbraw/zinc/58/41/40/597584140.db2.gz VTJDFQCGXPMUJT-DOTOQJQBSA-N 2 2 328.464 1.738 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCc2nnnn2C)CC[NH+]1Cc1ccccc1 ZINC000878173311 597584141 /nfs/dbraw/zinc/58/41/41/597584141.db2.gz VTJDFQCGXPMUJT-DOTOQJQBSA-N 2 2 328.464 1.738 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCc2nnnn2C)CC[NH+]1Cc1ccccc1 ZINC000878173311 597584142 /nfs/dbraw/zinc/58/41/42/597584142.db2.gz VTJDFQCGXPMUJT-DOTOQJQBSA-N 2 2 328.464 1.738 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878285985 597592646 /nfs/dbraw/zinc/59/26/46/597592646.db2.gz IJLOBJWNMSGBDQ-INIZCTEOSA-N 2 2 334.464 1.518 20 0 EDADLP O[C@@]1(C[N@@H+]2CC[C@@](O)(C(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000878669858 597673356 /nfs/dbraw/zinc/67/33/56/597673356.db2.gz MOHKAKOOGKTMGI-IRXDYDNUSA-N 2 2 326.387 1.325 20 0 EDADLP O[C@@]1(C[N@H+]2CC[C@@](O)(C(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000878669858 597673360 /nfs/dbraw/zinc/67/33/60/597673360.db2.gz MOHKAKOOGKTMGI-IRXDYDNUSA-N 2 2 326.387 1.325 20 0 EDADLP O[C@@]1(C[NH+]2CC[C@@](O)(C(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000878669858 597673364 /nfs/dbraw/zinc/67/33/64/597673364.db2.gz MOHKAKOOGKTMGI-IRXDYDNUSA-N 2 2 326.387 1.325 20 0 EDADLP O[C@@]1(C[NH+]2CC[C@@](O)(C(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000878669858 597673366 /nfs/dbraw/zinc/67/33/66/597673366.db2.gz MOHKAKOOGKTMGI-IRXDYDNUSA-N 2 2 326.387 1.325 20 0 EDADLP c1[nH]nc2c1[C@@H]([NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)CCC2 ZINC000883371223 597725399 /nfs/dbraw/zinc/72/53/99/597725399.db2.gz BJAROCRABSGBGY-RDJZCZTQSA-N 2 2 333.480 1.173 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2CCC23CCOCC3)C1 ZINC000883371419 597725511 /nfs/dbraw/zinc/72/55/11/597725511.db2.gz JLKLCYPXAXXYNL-ROUUACIJSA-N 2 2 337.508 1.332 20 0 EDADLP c1nc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1C1CC1 ZINC000883371358 597725579 /nfs/dbraw/zinc/72/55/79/597725579.db2.gz HNPJYSDWWFPLIQ-MRXNPFEDSA-N 2 2 333.480 1.104 20 0 EDADLP CN(C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)C1(C[NH3+])CCCCC1 ZINC000883653018 597849091 /nfs/dbraw/zinc/84/90/91/597849091.db2.gz JHGJJTXXBVTACL-UHFFFAOYSA-N 2 2 347.463 1.167 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[C@H](C)O1 ZINC000880264322 597887654 /nfs/dbraw/zinc/88/76/54/597887654.db2.gz UFNIGBXVKSYCHF-OAGGEKHMSA-N 2 2 332.448 1.228 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[C@H](C)O1 ZINC000880264322 597887656 /nfs/dbraw/zinc/88/76/56/597887656.db2.gz UFNIGBXVKSYCHF-OAGGEKHMSA-N 2 2 332.448 1.228 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884058392 597981468 /nfs/dbraw/zinc/98/14/68/597981468.db2.gz JELYDJWPVVHTHO-HOTGVXAUSA-N 2 2 347.463 1.022 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000884206398 598028414 /nfs/dbraw/zinc/02/84/14/598028414.db2.gz UGCZACWHJYGZOD-UHFFFAOYSA-N 2 2 328.416 1.959 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884207100 598029232 /nfs/dbraw/zinc/02/92/32/598029232.db2.gz MMNPOWPVHYPVHQ-CYBMUJFWSA-N 2 2 337.221 1.770 20 0 EDADLP CN(C)c1cc(Cn2cc(COc3ccc(C[NH3+])cc3)nn2)cc[nH+]1 ZINC000881365239 598134371 /nfs/dbraw/zinc/13/43/71/598134371.db2.gz AHCRHEUWRDBMJY-UHFFFAOYSA-N 2 2 338.415 1.825 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000914071852 695061855 /nfs/dbraw/zinc/06/18/55/695061855.db2.gz CCJMSNNRTCEYSV-BRWVUGGUSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000914071852 695061856 /nfs/dbraw/zinc/06/18/56/695061856.db2.gz CCJMSNNRTCEYSV-BRWVUGGUSA-N 2 2 340.512 1.659 20 0 EDADLP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000992691759 695209224 /nfs/dbraw/zinc/20/92/24/695209224.db2.gz MHUODEQNNLTWPB-USXIJHARSA-N 2 2 330.476 1.999 20 0 EDADLP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC000992691741 695209263 /nfs/dbraw/zinc/20/92/63/695209263.db2.gz MHUODEQNNLTWPB-BHYGNILZSA-N 2 2 330.476 1.999 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnon3)[C@@H]2C1 ZINC000992798597 695350646 /nfs/dbraw/zinc/35/06/46/695350646.db2.gz YNFKFPHSXXDNDO-IMJJTQAJSA-N 2 2 344.419 1.073 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939856192 699994727 /nfs/dbraw/zinc/99/47/27/699994727.db2.gz KELGGNMIWXAPLJ-JSGCOSHPSA-N 2 2 333.823 1.568 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c1C ZINC000939856742 699995818 /nfs/dbraw/zinc/99/58/18/699995818.db2.gz PFFRJJPZVLKSSO-WMLDXEAASA-N 2 2 342.443 1.837 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cncs3)[C@H]2C1 ZINC000992826071 695386454 /nfs/dbraw/zinc/38/64/54/695386454.db2.gz AAGXDVCVSUJZNH-RCBQFDQVSA-N 2 2 345.472 1.826 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939855698 699993722 /nfs/dbraw/zinc/99/37/22/699993722.db2.gz GLFUCOAZYCMWLM-SWLSCSKDSA-N 2 2 331.420 1.379 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cncs3)[C@@H]2C1 ZINC000992878762 695427369 /nfs/dbraw/zinc/42/73/69/695427369.db2.gz RXXLIMGNYJMFLP-CFVMTHIKSA-N 2 2 345.472 1.826 20 0 EDADLP C/C(=C\C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000915263046 695775709 /nfs/dbraw/zinc/77/57/09/695775709.db2.gz ZVKWULMPJHAXIQ-MAUBAPBLSA-N 2 2 344.459 1.397 20 0 EDADLP CCO[C@@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)C[NH+](C)C ZINC000915488488 695843253 /nfs/dbraw/zinc/84/32/53/695843253.db2.gz XMEQLOHJVZWSAN-AWEZNQCLSA-N 2 2 338.452 1.473 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000915648364 695960503 /nfs/dbraw/zinc/96/05/03/695960503.db2.gz LKIHGYGMSVDKEU-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000915648364 695960505 /nfs/dbraw/zinc/96/05/05/695960505.db2.gz LKIHGYGMSVDKEU-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N[C@H](CC)C[NH+]2CCOCC2)CC1 ZINC000915678925 695965957 /nfs/dbraw/zinc/96/59/57/695965957.db2.gz RNWUYOMPVOLMPJ-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031267357 696081549 /nfs/dbraw/zinc/08/15/49/696081549.db2.gz DDHZDKVNSKISEA-CQSZACIVSA-N 2 2 332.448 1.377 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993534576 696210830 /nfs/dbraw/zinc/21/08/30/696210830.db2.gz IAQJCUDBHPYOBW-BBRMVZONSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCC[N@H+]1CC(=O)N(C)C ZINC000993534576 696210832 /nfs/dbraw/zinc/21/08/32/696210832.db2.gz IAQJCUDBHPYOBW-BBRMVZONSA-N 2 2 343.431 1.005 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2c(C)noc2C)[C@H]1C ZINC000993604193 696253989 /nfs/dbraw/zinc/25/39/89/696253989.db2.gz CMTHQARBBMWNNV-YOEHRIQHSA-N 2 2 345.447 1.966 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCC[N@H+]1CCCO ZINC000994164080 696551479 /nfs/dbraw/zinc/55/14/79/696551479.db2.gz WIAUMKHZOQWBAU-ZBFHGGJFSA-N 2 2 343.431 1.232 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCn2cccn2)[C@@H]1C ZINC000994298941 696734933 /nfs/dbraw/zinc/73/49/33/696734933.db2.gz RWQJODDQKVEKLI-HUUCEWRRSA-N 2 2 330.436 1.126 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCn2cccn2)[C@@H]1C ZINC000994298941 696734935 /nfs/dbraw/zinc/73/49/35/696734935.db2.gz RWQJODDQKVEKLI-HUUCEWRRSA-N 2 2 330.436 1.126 20 0 EDADLP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000916836017 696794247 /nfs/dbraw/zinc/79/42/47/696794247.db2.gz HIQSLTWBHLGEDJ-CYBMUJFWSA-N 2 2 339.509 1.736 20 0 EDADLP CC[N@H+]1CCC[C@H](CNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000916836017 696794250 /nfs/dbraw/zinc/79/42/50/696794250.db2.gz HIQSLTWBHLGEDJ-CYBMUJFWSA-N 2 2 339.509 1.736 20 0 EDADLP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cn1 ZINC000994408079 696831381 /nfs/dbraw/zinc/83/13/81/696831381.db2.gz MUGMBJIALMPZMJ-RHSMWYFYSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cn1 ZINC000994408079 696831384 /nfs/dbraw/zinc/83/13/84/696831384.db2.gz MUGMBJIALMPZMJ-RHSMWYFYSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)cn2)[C@@H]1C ZINC000994421914 696843712 /nfs/dbraw/zinc/84/37/12/696843712.db2.gz NLMRGWCLTXVPKN-RHSMWYFYSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)cn2)[C@@H]1C ZINC000994421914 696843715 /nfs/dbraw/zinc/84/37/15/696843715.db2.gz NLMRGWCLTXVPKN-RHSMWYFYSA-N 2 2 342.447 1.459 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994504903 696945260 /nfs/dbraw/zinc/94/52/60/696945260.db2.gz HMDNOPJFKYARFG-HOCLYGCPSA-N 2 2 345.447 1.911 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994504903 696945263 /nfs/dbraw/zinc/94/52/63/696945263.db2.gz HMDNOPJFKYARFG-HOCLYGCPSA-N 2 2 345.447 1.911 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)n1 ZINC000994507506 696946123 /nfs/dbraw/zinc/94/61/23/696946123.db2.gz NCQJKQLOPKJPHE-IRXDYDNUSA-N 2 2 344.463 1.366 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)n1 ZINC000994507506 696946125 /nfs/dbraw/zinc/94/61/25/696946125.db2.gz NCQJKQLOPKJPHE-IRXDYDNUSA-N 2 2 344.463 1.366 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001031418994 697072641 /nfs/dbraw/zinc/07/26/41/697072641.db2.gz QRGWZRKHSQBRGY-KRWDZBQOSA-N 2 2 335.492 1.478 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001031418994 697072643 /nfs/dbraw/zinc/07/26/43/697072643.db2.gz QRGWZRKHSQBRGY-KRWDZBQOSA-N 2 2 335.492 1.478 20 0 EDADLP Cn1nccc1CC[NH+]1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001031433092 697094858 /nfs/dbraw/zinc/09/48/58/697094858.db2.gz FOELQPFZRRFHRQ-UHFFFAOYSA-N 2 2 341.459 1.138 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccncc2Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675770 697488157 /nfs/dbraw/zinc/48/81/57/697488157.db2.gz RPURTDNXNZMOCF-INIZCTEOSA-N 2 2 348.878 1.625 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cc(OC)ccn3)C2)CC[N@@H+]1C ZINC001031684522 697511233 /nfs/dbraw/zinc/51/12/33/697511233.db2.gz RERDEEFXZWYHJC-ZWKOTPCHSA-N 2 2 346.475 1.369 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cc(OC)ccn3)C2)CC[N@H+]1C ZINC001031684522 697511235 /nfs/dbraw/zinc/51/12/35/697511235.db2.gz RERDEEFXZWYHJC-ZWKOTPCHSA-N 2 2 346.475 1.369 20 0 EDADLP Cc1noc(CCC[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC000943176288 697870651 /nfs/dbraw/zinc/87/06/51/697870651.db2.gz JMGHLLHEDGAXIC-DOMZBBRYSA-N 2 2 346.435 1.103 20 0 EDADLP Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC000943176288 697870654 /nfs/dbraw/zinc/87/06/54/697870654.db2.gz JMGHLLHEDGAXIC-DOMZBBRYSA-N 2 2 346.435 1.103 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)cn1 ZINC001031729192 698082547 /nfs/dbraw/zinc/08/25/47/698082547.db2.gz HMLWKFWHNQPRKK-SFHVURJKSA-N 2 2 345.491 1.311 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)cn1 ZINC001031729192 698082552 /nfs/dbraw/zinc/08/25/52/698082552.db2.gz HMLWKFWHNQPRKK-SFHVURJKSA-N 2 2 345.491 1.311 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943337908 698156017 /nfs/dbraw/zinc/15/60/17/698156017.db2.gz ZVJMWXVMNGMMDY-BBRMVZONSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943337908 698156020 /nfs/dbraw/zinc/15/60/20/698156020.db2.gz ZVJMWXVMNGMMDY-BBRMVZONSA-N 2 2 349.479 1.437 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)cc1 ZINC000943765423 698815202 /nfs/dbraw/zinc/81/52/02/698815202.db2.gz CWTQFXCRXIRQBZ-YOEHRIQHSA-N 2 2 342.443 1.988 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)cc1 ZINC000943765423 698815211 /nfs/dbraw/zinc/81/52/11/698815211.db2.gz CWTQFXCRXIRQBZ-YOEHRIQHSA-N 2 2 342.443 1.988 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995153021 701558238 /nfs/dbraw/zinc/55/82/38/701558238.db2.gz NXETYALVJIIMRO-UONOGXRCSA-N 2 2 330.436 1.243 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001031766365 699060982 /nfs/dbraw/zinc/06/09/82/699060982.db2.gz HEILHVIGPKJLHA-HOCLYGCPSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001031766365 699060986 /nfs/dbraw/zinc/06/09/86/699060986.db2.gz HEILHVIGPKJLHA-HOCLYGCPSA-N 2 2 334.489 1.708 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001031773820 699124100 /nfs/dbraw/zinc/12/41/00/699124100.db2.gz CZEKPKHKKXMRCK-INIZCTEOSA-N 2 2 332.448 1.123 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001031773820 699124101 /nfs/dbraw/zinc/12/41/01/699124101.db2.gz CZEKPKHKKXMRCK-INIZCTEOSA-N 2 2 332.448 1.123 20 0 EDADLP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031779553 699183611 /nfs/dbraw/zinc/18/36/11/699183611.db2.gz VEBZCOJUZNUSEM-OAHLLOKOSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)ncn1 ZINC000995159899 701573685 /nfs/dbraw/zinc/57/36/85/701573685.db2.gz KRHLDQSFHVKPDL-HUUCEWRRSA-N 2 2 342.447 1.136 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031783639 699210999 /nfs/dbraw/zinc/21/09/99/699210999.db2.gz DBHLDNLVIQVYGU-GOSISDBHSA-N 2 2 338.455 1.736 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c(C)s1 ZINC000939213838 699363717 /nfs/dbraw/zinc/36/37/17/699363717.db2.gz FWPONXLBFSHDFS-MEBBXXQBSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000995162573 701591982 /nfs/dbraw/zinc/59/19/82/701591982.db2.gz UAFQIEMVZSDUJH-KBPBESRZSA-N 2 2 347.488 1.802 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000939395283 699545462 /nfs/dbraw/zinc/54/54/62/699545462.db2.gz GAKQMLVNFZUOAL-HIFRSBDPSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939402751 699551724 /nfs/dbraw/zinc/55/17/24/699551724.db2.gz ZPEANXNZSZPZKE-CZUORRHYSA-N 2 2 344.463 1.675 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)o1 ZINC000939535303 699676524 /nfs/dbraw/zinc/67/65/24/699676524.db2.gz PGWCHCQZIGTVBE-SWLSCSKDSA-N 2 2 345.447 1.458 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC000939622002 699758808 /nfs/dbraw/zinc/75/88/08/699758808.db2.gz HKMRUQLNUSRQBD-BLLLJJGKSA-N 2 2 345.451 1.070 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC000939624910 699762678 /nfs/dbraw/zinc/76/26/78/699762678.db2.gz ZQVYOYXJACWLFC-KBXCAEBGSA-N 2 2 326.444 1.940 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939642124 699771561 /nfs/dbraw/zinc/77/15/61/699771561.db2.gz HSQAJOUNVBTMOF-LRDDRELGSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC000939752766 699902163 /nfs/dbraw/zinc/90/21/63/699902163.db2.gz ABPNFRVEHXCIRE-UKRRQHHQSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000939745772 699911474 /nfs/dbraw/zinc/91/14/74/699911474.db2.gz DRNWHFNBWONGPR-SMDDNHRTSA-N 2 2 344.419 1.089 20 0 EDADLP CC1([NH2+]Cc2cncs2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144782 700274829 /nfs/dbraw/zinc/27/48/29/700274829.db2.gz NOFVXRIFKCIQKR-UHFFFAOYSA-N 2 2 333.461 1.970 20 0 EDADLP CC1([NH2+]Cc2cncs2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940144782 700274833 /nfs/dbraw/zinc/27/48/33/700274833.db2.gz NOFVXRIFKCIQKR-UHFFFAOYSA-N 2 2 333.461 1.970 20 0 EDADLP CC(C)n1ccc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000940353848 700537712 /nfs/dbraw/zinc/53/77/12/700537712.db2.gz UHKUZAWXWFONQJ-UHFFFAOYSA-N 2 2 344.463 1.901 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940371011 700553239 /nfs/dbraw/zinc/55/32/39/700553239.db2.gz GRISUDOBTRZUJI-HNNXBMFYSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940371011 700553242 /nfs/dbraw/zinc/55/32/42/700553242.db2.gz GRISUDOBTRZUJI-HNNXBMFYSA-N 2 2 348.491 1.986 20 0 EDADLP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940621610 700782817 /nfs/dbraw/zinc/78/28/17/700782817.db2.gz UMLFNNZIKKWSAW-JKSUJKDBSA-N 2 2 333.480 1.231 20 0 EDADLP Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940621610 700782819 /nfs/dbraw/zinc/78/28/19/700782819.db2.gz UMLFNNZIKKWSAW-JKSUJKDBSA-N 2 2 333.480 1.231 20 0 EDADLP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940621610 700782821 /nfs/dbraw/zinc/78/28/21/700782821.db2.gz UMLFNNZIKKWSAW-JKSUJKDBSA-N 2 2 333.480 1.231 20 0 EDADLP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940621610 700782824 /nfs/dbraw/zinc/78/28/24/700782824.db2.gz UMLFNNZIKKWSAW-JKSUJKDBSA-N 2 2 333.480 1.231 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCOC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968910 701674723 /nfs/dbraw/zinc/67/47/23/701674723.db2.gz PLTMVQOOAZYRPR-DZGCQCFKSA-N 2 2 332.448 1.304 20 0 EDADLP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842637 700938487 /nfs/dbraw/zinc/93/84/87/700938487.db2.gz LBPRFWKBSVKBLD-IAGOWNOFSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842637 700938489 /nfs/dbraw/zinc/93/84/89/700938489.db2.gz LBPRFWKBSVKBLD-IAGOWNOFSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842637 700938490 /nfs/dbraw/zinc/93/84/90/700938490.db2.gz LBPRFWKBSVKBLD-IAGOWNOFSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842637 700938492 /nfs/dbraw/zinc/93/84/92/700938492.db2.gz LBPRFWKBSVKBLD-IAGOWNOFSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1ncsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995114846 701036569 /nfs/dbraw/zinc/03/65/69/701036569.db2.gz JJTYDQTVUTZKIV-STQMWFEESA-N 2 2 333.461 1.792 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C(C)(C)C1 ZINC000941075976 701103536 /nfs/dbraw/zinc/10/35/36/701103536.db2.gz RUJYEQJCDOIQOG-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C(C)(C)C1 ZINC000941075976 701103538 /nfs/dbraw/zinc/10/35/38/701103538.db2.gz RUJYEQJCDOIQOG-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)o1 ZINC000945807152 701197616 /nfs/dbraw/zinc/19/76/16/701197616.db2.gz HGBBRQKWMGFNPO-HIFRSBDPSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)o1 ZINC000945807152 701197618 /nfs/dbraw/zinc/19/76/18/701197618.db2.gz HGBBRQKWMGFNPO-HIFRSBDPSA-N 2 2 345.447 1.769 20 0 EDADLP Cc1oncc1C[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031932218 701384046 /nfs/dbraw/zinc/38/40/46/701384046.db2.gz YGIXOIZUQFCQCO-UHFFFAOYSA-N 2 2 332.404 1.499 20 0 EDADLP Cc1ccncc1C[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031932481 701385941 /nfs/dbraw/zinc/38/59/41/701385941.db2.gz PGQOVNPDGMSHCP-UHFFFAOYSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941216721 701402865 /nfs/dbraw/zinc/40/28/65/701402865.db2.gz GCWBKNOSNNMVFS-KGLIPLIRSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941216721 701402866 /nfs/dbraw/zinc/40/28/66/701402866.db2.gz GCWBKNOSNNMVFS-KGLIPLIRSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941216721 701402867 /nfs/dbraw/zinc/40/28/67/701402867.db2.gz GCWBKNOSNNMVFS-KGLIPLIRSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941216721 701402868 /nfs/dbraw/zinc/40/28/68/701402868.db2.gz GCWBKNOSNNMVFS-KGLIPLIRSA-N 2 2 335.452 1.046 20 0 EDADLP CC1(C)C[N@H+](CCC[C@H]2CCOC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247429 701424159 /nfs/dbraw/zinc/42/41/59/701424159.db2.gz KXYPWUVLMLXRLW-DLBZAZTESA-N 2 2 348.491 1.917 20 0 EDADLP CC1(C)C[N@@H+](CCC[C@H]2CCOC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247429 701424160 /nfs/dbraw/zinc/42/41/60/701424160.db2.gz KXYPWUVLMLXRLW-DLBZAZTESA-N 2 2 348.491 1.917 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC001031947535 701502912 /nfs/dbraw/zinc/50/29/12/701502912.db2.gz HXDQWMKKKYDLTA-UHFFFAOYSA-N 2 2 337.414 1.855 20 0 EDADLP CCCn1ncnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995148027 701528521 /nfs/dbraw/zinc/52/85/21/701528521.db2.gz AASYZWAFTIOXMR-ZIAGYGMSSA-N 2 2 345.451 1.028 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941432968 701538733 /nfs/dbraw/zinc/53/87/33/701538733.db2.gz JVLGOOJNAVIRKN-UHFFFAOYSA-N 2 2 345.491 1.361 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941432968 701538734 /nfs/dbraw/zinc/53/87/34/701538734.db2.gz JVLGOOJNAVIRKN-UHFFFAOYSA-N 2 2 345.491 1.361 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001032128943 701803696 /nfs/dbraw/zinc/80/36/96/701803696.db2.gz MLJYMPGRLYKCQY-AEFFLSMTSA-N 2 2 348.466 1.889 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cnns1 ZINC000995747306 701973301 /nfs/dbraw/zinc/97/33/01/701973301.db2.gz ORRSWTDMIBRRIG-LBPRGKRZSA-N 2 2 334.449 1.221 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001031977760 702036430 /nfs/dbraw/zinc/03/64/30/702036430.db2.gz HORXJLHQNJLAKJ-WFASDCNBSA-N 2 2 336.867 1.481 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001031977760 702036435 /nfs/dbraw/zinc/03/64/35/702036435.db2.gz HORXJLHQNJLAKJ-WFASDCNBSA-N 2 2 336.867 1.481 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCc2ccns2)C[C@H]1C ZINC000944446817 702037698 /nfs/dbraw/zinc/03/76/98/702037698.db2.gz WRKYAMONYKDQRI-IUODEOHRSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCc2ccns2)C[C@H]1C ZINC000944446817 702037701 /nfs/dbraw/zinc/03/77/01/702037701.db2.gz WRKYAMONYKDQRI-IUODEOHRSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2ncccc2C)C[C@@H]1C ZINC000944447478 702041090 /nfs/dbraw/zinc/04/10/90/702041090.db2.gz ZYGNTWOKRSHXID-HOCLYGCPSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2ncccc2C)C[C@@H]1C ZINC000944447478 702041097 /nfs/dbraw/zinc/04/10/97/702041097.db2.gz ZYGNTWOKRSHXID-HOCLYGCPSA-N 2 2 341.459 1.991 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C)ns2)C1 ZINC001032205539 702063480 /nfs/dbraw/zinc/06/34/80/702063480.db2.gz BBMQKNCDROKLKK-MRXNPFEDSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)n1 ZINC000995820017 702137085 /nfs/dbraw/zinc/13/70/85/702137085.db2.gz FVWBEVBATYIVAQ-CABCVRRESA-N 2 2 347.463 1.046 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC000995186106 702181309 /nfs/dbraw/zinc/18/13/09/702181309.db2.gz ONAMJWYRCOOEGM-LSDHHAIUSA-N 2 2 342.447 1.434 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1cncs1 ZINC000995879081 702185763 /nfs/dbraw/zinc/18/57/63/702185763.db2.gz BKHNXCCOJZQIBG-CQSZACIVSA-N 2 2 333.461 1.826 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000995188952 702195780 /nfs/dbraw/zinc/19/57/80/702195780.db2.gz ZGZXHLPMSSHZOG-GJZGRUSLSA-N 2 2 327.432 1.730 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)n1 ZINC000995900193 702206129 /nfs/dbraw/zinc/20/61/29/702206129.db2.gz XGJHFQTWVTXNJG-CJNGLKHVSA-N 2 2 349.479 1.299 20 0 EDADLP Cc1nonc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995188847 702224688 /nfs/dbraw/zinc/22/46/88/702224688.db2.gz XRLVGXSTBZEMJX-QWHCGFSZSA-N 2 2 332.408 1.027 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)CCC1 ZINC000995887761 702226073 /nfs/dbraw/zinc/22/60/73/702226073.db2.gz PUTCQFGVYGBAHL-CYBMUJFWSA-N 2 2 337.493 1.349 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)CCC1 ZINC000995887763 702226193 /nfs/dbraw/zinc/22/61/93/702226193.db2.gz PUTCQFGVYGBAHL-ZDUSSCGKSA-N 2 2 337.493 1.349 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C)C(N)=O ZINC000995945105 702290784 /nfs/dbraw/zinc/29/07/84/702290784.db2.gz CUWWCKOCLHOUKX-KGLIPLIRSA-N 2 2 349.479 1.017 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)nc1 ZINC000995975744 702332098 /nfs/dbraw/zinc/33/20/98/702332098.db2.gz JNXFFOHTXMMUBU-JKSUJKDBSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)nc1 ZINC000995975744 702332105 /nfs/dbraw/zinc/33/21/05/702332105.db2.gz JNXFFOHTXMMUBU-JKSUJKDBSA-N 2 2 345.491 1.596 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000995982962 702342946 /nfs/dbraw/zinc/34/29/46/702342946.db2.gz RCAQMABLZGPIES-OLZOCXBDSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000995982962 702342952 /nfs/dbraw/zinc/34/29/52/702342952.db2.gz RCAQMABLZGPIES-OLZOCXBDSA-N 2 2 337.493 1.349 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053287 702483509 /nfs/dbraw/zinc/48/35/09/702483509.db2.gz MYWFETDVMOHPBG-BBRMVZONSA-N 2 2 330.432 1.729 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053287 702483513 /nfs/dbraw/zinc/48/35/13/702483513.db2.gz MYWFETDVMOHPBG-BBRMVZONSA-N 2 2 330.432 1.729 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996108503 702532874 /nfs/dbraw/zinc/53/28/74/702532874.db2.gz XCPPJRZSWPVVNU-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996106086 702566768 /nfs/dbraw/zinc/56/67/68/702566768.db2.gz MLEGIVQNUJPCNB-OAHLLOKOSA-N 2 2 330.436 1.034 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000996354948 702732897 /nfs/dbraw/zinc/73/28/97/702732897.db2.gz JZBFMNVNAIARCV-HZPDHXFCSA-N 2 2 334.464 1.738 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)o1 ZINC000996356901 702734384 /nfs/dbraw/zinc/73/43/84/702734384.db2.gz ULTAVMGYNSOPGD-OAHLLOKOSA-N 2 2 345.447 1.838 20 0 EDADLP CC(C)c1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)no1 ZINC000995218616 702754817 /nfs/dbraw/zinc/75/48/17/702754817.db2.gz YGLLOWWYIMYBBP-CABCVRRESA-N 2 2 349.479 1.663 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996397985 702755378 /nfs/dbraw/zinc/75/53/78/702755378.db2.gz DWVLBCPUIZRMHB-CJNGLKHVSA-N 2 2 344.463 1.349 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996397985 702755380 /nfs/dbraw/zinc/75/53/80/702755380.db2.gz DWVLBCPUIZRMHB-CJNGLKHVSA-N 2 2 344.463 1.349 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@H]([NH2+]CCO)C(C)(C)C3)[nH+]c12 ZINC000996413860 702764808 /nfs/dbraw/zinc/76/48/08/702764808.db2.gz GTVBHDAAGWDQFZ-HNNXBMFYSA-N 2 2 330.432 1.004 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC2(C)C)o1 ZINC000996563254 702877095 /nfs/dbraw/zinc/87/70/95/702877095.db2.gz OQWIVJNFFMPVFT-INIZCTEOSA-N 2 2 345.447 1.892 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2ncccc2C)C(C)(C)C1 ZINC000996559744 702878071 /nfs/dbraw/zinc/87/80/71/702878071.db2.gz AWTMFHIHFIQRNT-KRWDZBQOSA-N 2 2 341.459 1.991 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996570803 702883056 /nfs/dbraw/zinc/88/30/56/702883056.db2.gz YJLBQCHHZVHFAM-KRWDZBQOSA-N 2 2 341.459 1.775 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC2(C)C)C1 ZINC000996564513 702886067 /nfs/dbraw/zinc/88/60/67/702886067.db2.gz ULOIOMAATLWUHY-DQPZFDDXSA-N 2 2 348.491 1.902 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccccc1 ZINC001032315308 702968804 /nfs/dbraw/zinc/96/88/04/702968804.db2.gz ICYZZTDEEXMUIY-XYJFISCASA-N 2 2 329.444 1.445 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccccc1 ZINC001032315308 702968806 /nfs/dbraw/zinc/96/88/06/702968806.db2.gz ICYZZTDEEXMUIY-XYJFISCASA-N 2 2 329.444 1.445 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1 ZINC001032315308 702968810 /nfs/dbraw/zinc/96/88/10/702968810.db2.gz ICYZZTDEEXMUIY-XYJFISCASA-N 2 2 329.444 1.445 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000996684354 702982187 /nfs/dbraw/zinc/98/21/87/702982187.db2.gz KPRWUFQVZZCDDJ-BZUAXINKSA-N 2 2 346.475 1.909 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000996684354 702982188 /nfs/dbraw/zinc/98/21/88/702982188.db2.gz KPRWUFQVZZCDDJ-BZUAXINKSA-N 2 2 346.475 1.909 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000996712856 703007797 /nfs/dbraw/zinc/00/77/97/703007797.db2.gz HLDCGGKUSQGDLP-KRWDZBQOSA-N 2 2 342.443 1.402 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)c[nH+]1 ZINC000996717266 703016092 /nfs/dbraw/zinc/01/60/92/703016092.db2.gz OAVCKRDELUDDOA-INIZCTEOSA-N 2 2 348.491 1.934 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000942555807 703069207 /nfs/dbraw/zinc/06/92/07/703069207.db2.gz PWRKEZXMFOBURV-DZGCQCFKSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000942555807 703069210 /nfs/dbraw/zinc/06/92/10/703069210.db2.gz PWRKEZXMFOBURV-DZGCQCFKSA-N 2 2 349.479 1.579 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555875 703070013 /nfs/dbraw/zinc/07/00/13/703070013.db2.gz RBVGGRMWCJAWBS-CABCVRRESA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555875 703070016 /nfs/dbraw/zinc/07/00/16/703070016.db2.gz RBVGGRMWCJAWBS-CABCVRRESA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[N@H+](Cc2cscn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594152 703106259 /nfs/dbraw/zinc/10/62/59/703106259.db2.gz DTRXDIXLTBQYSH-BBRMVZONSA-N 2 2 336.505 1.812 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cscn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594152 703106260 /nfs/dbraw/zinc/10/62/60/703106260.db2.gz DTRXDIXLTBQYSH-BBRMVZONSA-N 2 2 336.505 1.812 20 0 EDADLP COc1ncccc1C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996857364 703141729 /nfs/dbraw/zinc/14/17/29/703141729.db2.gz ANPBIBULHASJMK-UHFFFAOYSA-N 2 2 343.431 1.458 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000996861756 703145065 /nfs/dbraw/zinc/14/50/65/703145065.db2.gz ZWXZRUIKPMTHBM-OAHLLOKOSA-N 2 2 342.447 1.713 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996986695 703244693 /nfs/dbraw/zinc/24/46/93/703244693.db2.gz AMUZOKRYNBUIPF-ZDUSSCGKSA-N 2 2 346.460 1.462 20 0 EDADLP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)cn1 ZINC000996995531 703252361 /nfs/dbraw/zinc/25/23/61/703252361.db2.gz KTPSDFDXNLPQKQ-HNNXBMFYSA-N 2 2 342.447 1.344 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997018334 703268594 /nfs/dbraw/zinc/26/85/94/703268594.db2.gz URAOAQFMHXUQSH-ZIAGYGMSSA-N 2 2 346.460 1.156 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2cc(CO)ccc2F)CC1 ZINC000997043156 703287734 /nfs/dbraw/zinc/28/77/34/703287734.db2.gz VCDHBXVUIIBJNG-UHFFFAOYSA-N 2 2 346.406 1.364 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)ncn1 ZINC000997045317 703294083 /nfs/dbraw/zinc/29/40/83/703294083.db2.gz LOYNPKKMOQOFER-HNNXBMFYSA-N 2 2 342.447 1.713 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+][C@@H](C)c2ncccn2)CC1)n1cc[nH+]c1 ZINC000997052501 703300494 /nfs/dbraw/zinc/30/04/94/703300494.db2.gz WQKUJKBQUFQCKZ-CABCVRRESA-N 2 2 342.447 1.966 20 0 EDADLP CC(C)(C)n1cc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC000997121174 703378487 /nfs/dbraw/zinc/37/84/87/703378487.db2.gz UJKPODJIAOVHMZ-UHFFFAOYSA-N 2 2 345.451 1.080 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997182335 703467232 /nfs/dbraw/zinc/46/72/32/703467232.db2.gz XBKAWPQEHCWNJI-CJNGLKHVSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997182335 703467234 /nfs/dbraw/zinc/46/72/34/703467234.db2.gz XBKAWPQEHCWNJI-CJNGLKHVSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)[nH]1 ZINC000997235768 703522950 /nfs/dbraw/zinc/52/29/50/703522950.db2.gz DCUQNGMQTCDZMA-LBPRGKRZSA-N 2 2 345.451 1.121 20 0 EDADLP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)no1 ZINC000997310278 703567420 /nfs/dbraw/zinc/56/74/20/703567420.db2.gz QJMZQOWWENHGFF-NSHDSACASA-N 2 2 332.408 1.225 20 0 EDADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000997345718 703575329 /nfs/dbraw/zinc/57/53/29/703575329.db2.gz PLVUMLBBJZFISW-LJQANCHMSA-N 2 2 349.519 1.868 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032430998 703588759 /nfs/dbraw/zinc/58/87/59/703588759.db2.gz MIKCIYCWUNKUGW-SNPRPXQTSA-N 2 2 337.489 1.743 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032430998 703588761 /nfs/dbraw/zinc/58/87/61/703588761.db2.gz MIKCIYCWUNKUGW-SNPRPXQTSA-N 2 2 337.489 1.743 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)no1 ZINC000997360187 703590643 /nfs/dbraw/zinc/59/06/43/703590643.db2.gz MITUGBPAVWVMLU-ZIAGYGMSSA-N 2 2 349.479 1.585 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)no1 ZINC000997364978 703598134 /nfs/dbraw/zinc/59/81/34/703598134.db2.gz PCASNWDDJGEKLY-HNNXBMFYSA-N 2 2 349.479 1.587 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)no1 ZINC000997364978 703598137 /nfs/dbraw/zinc/59/81/37/703598137.db2.gz PCASNWDDJGEKLY-HNNXBMFYSA-N 2 2 349.479 1.587 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921604627 703635422 /nfs/dbraw/zinc/63/54/22/703635422.db2.gz UGSFHRKCBSZXPP-UHFFFAOYSA-N 2 2 332.427 1.289 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460635 703641795 /nfs/dbraw/zinc/64/17/95/703641795.db2.gz VSYQIJYVRLRTIJ-ULQDDVLXSA-N 2 2 333.480 1.100 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460635 703641796 /nfs/dbraw/zinc/64/17/96/703641796.db2.gz VSYQIJYVRLRTIJ-ULQDDVLXSA-N 2 2 333.480 1.100 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997422309 703670916 /nfs/dbraw/zinc/67/09/16/703670916.db2.gz WEWIVTPYYDCWLX-UKRRQHHQSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997422309 703670917 /nfs/dbraw/zinc/67/09/17/703670917.db2.gz WEWIVTPYYDCWLX-UKRRQHHQSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997422708 703671136 /nfs/dbraw/zinc/67/11/36/703671136.db2.gz XWNTWKWCGDIDTL-UKRRQHHQSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997422708 703671137 /nfs/dbraw/zinc/67/11/37/703671137.db2.gz XWNTWKWCGDIDTL-UKRRQHHQSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947930671 703885389 /nfs/dbraw/zinc/88/53/89/703885389.db2.gz TUWWHMWFFIVABP-WFASDCNBSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947930671 703885392 /nfs/dbraw/zinc/88/53/92/703885392.db2.gz TUWWHMWFFIVABP-WFASDCNBSA-N 2 2 331.420 1.428 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000997605192 703901832 /nfs/dbraw/zinc/90/18/32/703901832.db2.gz FDLYDUQHDCBEGN-CQSZACIVSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000997605192 703901834 /nfs/dbraw/zinc/90/18/34/703901834.db2.gz FDLYDUQHDCBEGN-CQSZACIVSA-N 2 2 335.452 1.054 20 0 EDADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC1CCOCC1 ZINC000947931101 703920580 /nfs/dbraw/zinc/92/05/80/703920580.db2.gz ZWLOJSXDBAVKOX-GOEBONIOSA-N 2 2 334.464 1.358 20 0 EDADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC1CCOCC1 ZINC000947931101 703920582 /nfs/dbraw/zinc/92/05/82/703920582.db2.gz ZWLOJSXDBAVKOX-GOEBONIOSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1scnc1C ZINC001032521583 703974483 /nfs/dbraw/zinc/97/44/83/703974483.db2.gz DOQYNEMWVYDXRD-GJZGRUSLSA-N 2 2 345.472 1.484 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1scnc1C ZINC001032521583 703974485 /nfs/dbraw/zinc/97/44/85/703974485.db2.gz DOQYNEMWVYDXRD-GJZGRUSLSA-N 2 2 345.472 1.484 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033074403 704117513 /nfs/dbraw/zinc/11/75/13/704117513.db2.gz ZXIFSURBVJOSEM-WBVHZDCISA-N 2 2 348.495 1.204 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033074403 704117515 /nfs/dbraw/zinc/11/75/15/704117515.db2.gz ZXIFSURBVJOSEM-WBVHZDCISA-N 2 2 348.495 1.204 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033074403 704117518 /nfs/dbraw/zinc/11/75/18/704117518.db2.gz ZXIFSURBVJOSEM-WBVHZDCISA-N 2 2 348.495 1.204 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033074403 704117520 /nfs/dbraw/zinc/11/75/20/704117520.db2.gz ZXIFSURBVJOSEM-WBVHZDCISA-N 2 2 348.495 1.204 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999301845 706804858 /nfs/dbraw/zinc/80/48/58/706804858.db2.gz CYSQHOWJEMQECI-DZGCQCFKSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999301845 706804859 /nfs/dbraw/zinc/80/48/59/706804859.db2.gz CYSQHOWJEMQECI-DZGCQCFKSA-N 2 2 337.493 1.493 20 0 EDADLP CCO[C@@H](C[NH2+]Cc1cc(C(=O)OC)c2n1CCCC2)C[NH+](C)C ZINC000922757354 704317061 /nfs/dbraw/zinc/31/70/61/704317061.db2.gz YHOGTLJLLUBMPZ-HNNXBMFYSA-N 2 2 337.464 1.667 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997817388 704739172 /nfs/dbraw/zinc/73/91/72/704739172.db2.gz NVXQQXKZNGYNOE-UHFFFAOYSA-N 2 2 333.461 1.827 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997817388 704739174 /nfs/dbraw/zinc/73/91/74/704739174.db2.gz NVXQQXKZNGYNOE-UHFFFAOYSA-N 2 2 333.461 1.827 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998046300 705242480 /nfs/dbraw/zinc/24/24/80/705242480.db2.gz OLPDAJOODCHEOP-IAGOWNOFSA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998046300 705242482 /nfs/dbraw/zinc/24/24/82/705242482.db2.gz OLPDAJOODCHEOP-IAGOWNOFSA-N 2 2 348.491 1.531 20 0 EDADLP COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)ccn1 ZINC001032602637 705404603 /nfs/dbraw/zinc/40/46/03/705404603.db2.gz VHJAKNHTVNOIEZ-IRXDYDNUSA-N 2 2 344.459 1.217 20 0 EDADLP COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)ccn1 ZINC001032602637 705404606 /nfs/dbraw/zinc/40/46/06/705404606.db2.gz VHJAKNHTVNOIEZ-IRXDYDNUSA-N 2 2 344.459 1.217 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)cs1 ZINC000998221674 705547264 /nfs/dbraw/zinc/54/72/64/705547264.db2.gz FXELVOBKYDCLBJ-UHFFFAOYSA-N 2 2 347.488 1.756 20 0 EDADLP Cc1ncsc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000998223951 705551460 /nfs/dbraw/zinc/55/14/60/705551460.db2.gz UGEDOONWOKMHAH-UHFFFAOYSA-N 2 2 347.488 1.756 20 0 EDADLP Cc1conc1C[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000998246667 705594145 /nfs/dbraw/zinc/59/41/45/705594145.db2.gz AWPWHIBMQIUKMR-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C(F)(F)F ZINC000998300566 705705266 /nfs/dbraw/zinc/70/52/66/705705266.db2.gz FBGKWNZVRHSPLC-CHWSQXEVSA-N 2 2 332.370 1.740 20 0 EDADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)s1 ZINC001032627788 705741441 /nfs/dbraw/zinc/74/14/41/705741441.db2.gz HWBCBMZKNJEFNB-RCBQFDQVSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001032627788 705741450 /nfs/dbraw/zinc/74/14/50/705741450.db2.gz HWBCBMZKNJEFNB-RCBQFDQVSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)s1 ZINC001032627788 705741453 /nfs/dbraw/zinc/74/14/53/705741453.db2.gz HWBCBMZKNJEFNB-RCBQFDQVSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)s1 ZINC001032627788 705741457 /nfs/dbraw/zinc/74/14/57/705741457.db2.gz HWBCBMZKNJEFNB-RCBQFDQVSA-N 2 2 348.516 1.887 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629658 705753441 /nfs/dbraw/zinc/75/34/41/705753441.db2.gz HSNZVCXHQSYNGW-ILXRZTDVSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629658 705753442 /nfs/dbraw/zinc/75/34/42/705753442.db2.gz HSNZVCXHQSYNGW-ILXRZTDVSA-N 2 2 348.447 1.204 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC(C)(C)C2)c1 ZINC001032629749 705758209 /nfs/dbraw/zinc/75/82/09/705758209.db2.gz JSZKWWWQFWDSRP-ROUUACIJSA-N 2 2 342.487 1.907 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC(C)(C)C2)c1 ZINC001032629749 705758212 /nfs/dbraw/zinc/75/82/12/705758212.db2.gz JSZKWWWQFWDSRP-ROUUACIJSA-N 2 2 342.487 1.907 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC001032629749 705758218 /nfs/dbraw/zinc/75/82/18/705758218.db2.gz JSZKWWWQFWDSRP-ROUUACIJSA-N 2 2 342.487 1.907 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC000999045389 706486829 /nfs/dbraw/zinc/48/68/29/706486829.db2.gz ONJVUTFRJUALRB-CABCVRRESA-N 2 2 342.447 1.783 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999045847 706487270 /nfs/dbraw/zinc/48/72/70/706487270.db2.gz RLJLIARWDDZVOR-ZDUSSCGKSA-N 2 2 333.461 1.622 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000999046396 706487886 /nfs/dbraw/zinc/48/78/86/706487886.db2.gz SNJRISOOIRWMFT-CQSZACIVSA-N 2 2 342.447 1.266 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999371907 706885913 /nfs/dbraw/zinc/88/59/13/706885913.db2.gz NJPDVCVMVAEGKH-GJZGRUSLSA-N 2 2 329.404 1.529 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999499042 706996852 /nfs/dbraw/zinc/99/68/52/706996852.db2.gz YQZZLYMCMLUUQD-WBVHZDCISA-N 2 2 347.459 1.640 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)C)no2)C1)[NH+](C)C ZINC000999492130 707028692 /nfs/dbraw/zinc/02/86/92/707028692.db2.gz YUKFSKFZPXIYGS-UONOGXRCSA-N 2 2 337.468 1.614 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccn3)C2)no1 ZINC000999555232 707053246 /nfs/dbraw/zinc/05/32/46/707053246.db2.gz CRZUQOLMIAILTA-HNNXBMFYSA-N 2 2 343.431 1.526 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000999605321 707069958 /nfs/dbraw/zinc/06/99/58/707069958.db2.gz HKQGXBHEWBBLGA-UHFFFAOYSA-N 2 2 333.823 1.780 20 0 EDADLP COc1ccc(CC[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000999608479 707122279 /nfs/dbraw/zinc/12/22/79/707122279.db2.gz UBEHHMDBIBIROF-UHFFFAOYSA-N 2 2 342.443 1.783 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1)c1cnccn1 ZINC000999773614 707332487 /nfs/dbraw/zinc/33/24/87/707332487.db2.gz BWGGTNNOBHRPGX-LSDHHAIUSA-N 2 2 342.447 1.485 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)o1 ZINC000999778190 707339253 /nfs/dbraw/zinc/33/92/53/707339253.db2.gz VRCRZSYHMYJIMW-AWEZNQCLSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999754352 707356094 /nfs/dbraw/zinc/35/60/94/707356094.db2.gz RHGGIYOLKMHMQF-UHFFFAOYSA-N 2 2 343.431 1.905 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033198746 707462983 /nfs/dbraw/zinc/46/29/83/707462983.db2.gz NEPPRVGQRMJFCK-KGLIPLIRSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033198746 707462987 /nfs/dbraw/zinc/46/29/87/707462987.db2.gz NEPPRVGQRMJFCK-KGLIPLIRSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033198746 707462992 /nfs/dbraw/zinc/46/29/92/707462992.db2.gz NEPPRVGQRMJFCK-KGLIPLIRSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033198746 707462996 /nfs/dbraw/zinc/46/29/96/707462996.db2.gz NEPPRVGQRMJFCK-KGLIPLIRSA-N 2 2 337.493 1.364 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319465 707497799 /nfs/dbraw/zinc/49/77/99/707497799.db2.gz QNLMVIMSTMAPTQ-OAHLLOKOSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319465 707497803 /nfs/dbraw/zinc/49/78/03/707497803.db2.gz QNLMVIMSTMAPTQ-OAHLLOKOSA-N 2 2 348.495 1.205 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033203918 707645685 /nfs/dbraw/zinc/64/56/85/707645685.db2.gz UTQHAOVRWCSIGF-DOTOQJQBSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033203918 707645688 /nfs/dbraw/zinc/64/56/88/707645688.db2.gz UTQHAOVRWCSIGF-DOTOQJQBSA-N 2 2 346.475 1.547 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033391241 707767251 /nfs/dbraw/zinc/76/72/51/707767251.db2.gz PSORYULKGMWCSG-HNNXBMFYSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033391241 707767253 /nfs/dbraw/zinc/76/72/53/707767253.db2.gz PSORYULKGMWCSG-HNNXBMFYSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1conc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984912 707833852 /nfs/dbraw/zinc/83/38/52/707833852.db2.gz ZQMHDQTVNQWJOU-WMLDXEAASA-N 2 2 345.447 1.818 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001004986477 707836899 /nfs/dbraw/zinc/83/68/99/707836899.db2.gz AYGYOCOUUNPYSP-WMLDXEAASA-N 2 2 344.463 1.554 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC001033459151 707909875 /nfs/dbraw/zinc/90/98/75/707909875.db2.gz ZYPPIAOQARMNNU-INIZCTEOSA-N 2 2 346.406 1.703 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC001033459151 707909879 /nfs/dbraw/zinc/90/98/79/707909879.db2.gz ZYPPIAOQARMNNU-INIZCTEOSA-N 2 2 346.406 1.703 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033472730 707960788 /nfs/dbraw/zinc/96/07/88/707960788.db2.gz AZINJAJHLUGOGF-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033472730 707960790 /nfs/dbraw/zinc/96/07/90/707960790.db2.gz AZINJAJHLUGOGF-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033472730 707960795 /nfs/dbraw/zinc/96/07/95/707960795.db2.gz AZINJAJHLUGOGF-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)CC1 ZINC001033531628 708154876 /nfs/dbraw/zinc/15/48/76/708154876.db2.gz MMMYVCGGSWEJMH-GOSISDBHSA-N 2 2 348.466 1.985 20 0 EDADLP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CC1 ZINC001033531628 708154877 /nfs/dbraw/zinc/15/48/77/708154877.db2.gz MMMYVCGGSWEJMH-GOSISDBHSA-N 2 2 348.466 1.985 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033616624 708342423 /nfs/dbraw/zinc/34/24/23/708342423.db2.gz JWRDVMFWZJCMDP-GJZGRUSLSA-N 2 2 334.464 1.608 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033616624 708342426 /nfs/dbraw/zinc/34/24/26/708342426.db2.gz JWRDVMFWZJCMDP-GJZGRUSLSA-N 2 2 334.464 1.608 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033665383 708448304 /nfs/dbraw/zinc/44/83/04/708448304.db2.gz NRYRCPBVHCZYCZ-HNNXBMFYSA-N 2 2 345.447 1.783 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033665383 708448307 /nfs/dbraw/zinc/44/83/07/708448307.db2.gz NRYRCPBVHCZYCZ-HNNXBMFYSA-N 2 2 345.447 1.783 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033665759 708448939 /nfs/dbraw/zinc/44/89/39/708448939.db2.gz QULAPRQIWBBTBY-CABCVRRESA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033665759 708448942 /nfs/dbraw/zinc/44/89/42/708448942.db2.gz QULAPRQIWBBTBY-CABCVRRESA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001033665759 708448944 /nfs/dbraw/zinc/44/89/44/708448944.db2.gz QULAPRQIWBBTBY-CABCVRRESA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001033665759 708448946 /nfs/dbraw/zinc/44/89/46/708448946.db2.gz QULAPRQIWBBTBY-CABCVRRESA-N 2 2 336.867 1.719 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)c(C)o1 ZINC001033667410 708454364 /nfs/dbraw/zinc/45/43/64/708454364.db2.gz GHOOKCUZFISJPB-OAHLLOKOSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)c(C)o1 ZINC001033667410 708454367 /nfs/dbraw/zinc/45/43/67/708454367.db2.gz GHOOKCUZFISJPB-OAHLLOKOSA-N 2 2 331.420 1.529 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2conc2C)C1 ZINC001033686750 708501217 /nfs/dbraw/zinc/50/12/17/708501217.db2.gz SPZREYHUTKQHSC-IRXDYDNUSA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2conc2C)C1 ZINC001033686750 708501220 /nfs/dbraw/zinc/50/12/20/708501220.db2.gz SPZREYHUTKQHSC-IRXDYDNUSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033686750 708501224 /nfs/dbraw/zinc/50/12/24/708501224.db2.gz SPZREYHUTKQHSC-IRXDYDNUSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033686750 708501227 /nfs/dbraw/zinc/50/12/27/708501227.db2.gz SPZREYHUTKQHSC-IRXDYDNUSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1ccc(CC[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001033704224 708533118 /nfs/dbraw/zinc/53/31/18/708533118.db2.gz PLJAXCSUJPRYRZ-SFHVURJKSA-N 2 2 326.444 1.967 20 0 EDADLP Cc1ccc(CC[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001033704224 708533123 /nfs/dbraw/zinc/53/31/23/708533123.db2.gz PLJAXCSUJPRYRZ-SFHVURJKSA-N 2 2 326.444 1.967 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC001033706997 708538867 /nfs/dbraw/zinc/53/88/67/708538867.db2.gz OZECDKUDCZHVHJ-INIZCTEOSA-N 2 2 346.406 1.634 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC001033706997 708538868 /nfs/dbraw/zinc/53/88/68/708538868.db2.gz OZECDKUDCZHVHJ-INIZCTEOSA-N 2 2 346.406 1.634 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(OC)nc2)C1 ZINC001033772566 708670537 /nfs/dbraw/zinc/67/05/37/708670537.db2.gz ABOHTJUCSGJHIW-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC001033772566 708670542 /nfs/dbraw/zinc/67/05/42/708670542.db2.gz ABOHTJUCSGJHIW-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001033772566 708670545 /nfs/dbraw/zinc/67/05/45/708670545.db2.gz ABOHTJUCSGJHIW-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001033772566 708670549 /nfs/dbraw/zinc/67/05/49/708670549.db2.gz ABOHTJUCSGJHIW-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033830607 708852124 /nfs/dbraw/zinc/85/21/24/708852124.db2.gz LMAHKDSVSFZGLU-MSOLQXFVSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033830607 708852129 /nfs/dbraw/zinc/85/21/29/708852129.db2.gz LMAHKDSVSFZGLU-MSOLQXFVSA-N 2 2 346.475 1.748 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)co1 ZINC001005399359 708885648 /nfs/dbraw/zinc/88/56/48/708885648.db2.gz RNXFUJXEJRWPEQ-SFHVURJKSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001033872709 708963048 /nfs/dbraw/zinc/96/30/48/708963048.db2.gz LHBIIQWSGIFDFX-AWEZNQCLSA-N 2 2 343.431 1.188 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001033872709 708963051 /nfs/dbraw/zinc/96/30/51/708963051.db2.gz LHBIIQWSGIFDFX-AWEZNQCLSA-N 2 2 343.431 1.188 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001005477276 709102828 /nfs/dbraw/zinc/10/28/28/709102828.db2.gz QAOFKEFXYAKREY-SFHVURJKSA-N 2 2 347.507 1.717 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001005477276 709102829 /nfs/dbraw/zinc/10/28/29/709102829.db2.gz QAOFKEFXYAKREY-SFHVURJKSA-N 2 2 347.507 1.717 20 0 EDADLP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@H+](CCF)C1 ZINC001034005999 709247035 /nfs/dbraw/zinc/24/70/35/709247035.db2.gz YHEUJOIYVJIABS-MRXNPFEDSA-N 2 2 331.395 1.773 20 0 EDADLP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001034005999 709247037 /nfs/dbraw/zinc/24/70/37/709247037.db2.gz YHEUJOIYVJIABS-MRXNPFEDSA-N 2 2 331.395 1.773 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001034132351 709402587 /nfs/dbraw/zinc/40/25/87/709402587.db2.gz RPWVZSYCJPAARP-NVXWUHKLSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034132351 709402588 /nfs/dbraw/zinc/40/25/88/709402588.db2.gz RPWVZSYCJPAARP-NVXWUHKLSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001034132351 709402589 /nfs/dbraw/zinc/40/25/89/709402589.db2.gz RPWVZSYCJPAARP-NVXWUHKLSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001034132351 709402590 /nfs/dbraw/zinc/40/25/90/709402590.db2.gz RPWVZSYCJPAARP-NVXWUHKLSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC001034400959 709945362 /nfs/dbraw/zinc/94/53/62/709945362.db2.gz YXIKAWCYYOACPQ-IRXDYDNUSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001034400959 709945367 /nfs/dbraw/zinc/94/53/67/709945367.db2.gz YXIKAWCYYOACPQ-IRXDYDNUSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001034400959 709945368 /nfs/dbraw/zinc/94/53/68/709945368.db2.gz YXIKAWCYYOACPQ-IRXDYDNUSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001034400959 709945372 /nfs/dbraw/zinc/94/53/72/709945372.db2.gz YXIKAWCYYOACPQ-IRXDYDNUSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](CCn3cccn3)CC2)c[nH+]1 ZINC001003128828 710026876 /nfs/dbraw/zinc/02/68/76/710026876.db2.gz UVXUMHVCCAYXHV-UHFFFAOYSA-N 2 2 344.463 1.404 20 0 EDADLP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC001003165399 710076444 /nfs/dbraw/zinc/07/64/44/710076444.db2.gz GNQGBBQIVHJEJY-INIZCTEOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)nn1 ZINC001003165399 710076450 /nfs/dbraw/zinc/07/64/50/710076450.db2.gz GNQGBBQIVHJEJY-INIZCTEOSA-N 2 2 347.463 1.050 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCCO2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001003190703 710108646 /nfs/dbraw/zinc/10/86/46/710108646.db2.gz RSGITSQBBCQSGG-RDJZCZTQSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1cccnc1C[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034491084 710110656 /nfs/dbraw/zinc/11/06/56/710110656.db2.gz QGBLSWZZAIVDIP-MRXNPFEDSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1cccnc1C[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034491084 710110657 /nfs/dbraw/zinc/11/06/57/710110657.db2.gz QGBLSWZZAIVDIP-MRXNPFEDSA-N 2 2 341.459 1.837 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485712 710131336 /nfs/dbraw/zinc/13/13/36/710131336.db2.gz TZCWSRHXTREWPQ-CABCVRRESA-N 2 2 342.447 1.485 20 0 EDADLP C[C@H](c1cnccn1)[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485712 710131337 /nfs/dbraw/zinc/13/13/37/710131337.db2.gz TZCWSRHXTREWPQ-CABCVRRESA-N 2 2 342.447 1.485 20 0 EDADLP Cc1cncc(C[N@H+]2CCCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001034486570 710133354 /nfs/dbraw/zinc/13/33/54/710133354.db2.gz BKKFSKJHUSRCBN-KRWDZBQOSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1cncc(C[N@@H+]2CCCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001034486570 710133358 /nfs/dbraw/zinc/13/33/58/710133358.db2.gz BKKFSKJHUSRCBN-KRWDZBQOSA-N 2 2 341.459 1.837 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)c1ccn2c[nH+]cc2c1 ZINC001003251269 710174160 /nfs/dbraw/zinc/17/41/60/710174160.db2.gz VNPIJWUFEVMVDS-UHFFFAOYSA-N 2 2 325.372 1.717 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001034524973 710174612 /nfs/dbraw/zinc/17/46/12/710174612.db2.gz JQLUHTYJRLVQSJ-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001034524973 710174616 /nfs/dbraw/zinc/17/46/16/710174616.db2.gz JQLUHTYJRLVQSJ-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cs1 ZINC001034524973 710174618 /nfs/dbraw/zinc/17/46/18/710174618.db2.gz JQLUHTYJRLVQSJ-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cs1 ZINC001034524973 710174621 /nfs/dbraw/zinc/17/46/21/710174621.db2.gz JQLUHTYJRLVQSJ-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)c3ccn4c[nH+]cc4c3)CC2)n1 ZINC001003252507 710176589 /nfs/dbraw/zinc/17/65/89/710176589.db2.gz XJFQPLYKAWQRIX-UHFFFAOYSA-N 2 2 338.415 1.462 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001034526846 710179594 /nfs/dbraw/zinc/17/95/94/710179594.db2.gz APGKDQKRXKYMLU-KRWDZBQOSA-N 2 2 334.439 1.787 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001034526846 710179596 /nfs/dbraw/zinc/17/95/96/710179596.db2.gz APGKDQKRXKYMLU-KRWDZBQOSA-N 2 2 334.439 1.787 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC001003425012 710340115 /nfs/dbraw/zinc/34/01/15/710340115.db2.gz ZCPNBEPKODMGRQ-UHFFFAOYSA-N 2 2 333.480 1.375 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC001003628469 710458224 /nfs/dbraw/zinc/45/82/24/710458224.db2.gz QFTIEUAWEWJPCX-CHWSQXEVSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001003628469 710458226 /nfs/dbraw/zinc/45/82/26/710458226.db2.gz QFTIEUAWEWJPCX-CHWSQXEVSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC001003631121 710460240 /nfs/dbraw/zinc/46/02/40/710460240.db2.gz RJXGQQYMJQALHY-BLLLJJGKSA-N 2 2 336.505 1.730 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC001003631121 710460242 /nfs/dbraw/zinc/46/02/42/710460242.db2.gz RJXGQQYMJQALHY-BLLLJJGKSA-N 2 2 336.505 1.730 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003635843 710462985 /nfs/dbraw/zinc/46/29/85/710462985.db2.gz SJCLLSVKFRXTAS-RHSMWYFYSA-N 2 2 333.480 1.181 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003635843 710462987 /nfs/dbraw/zinc/46/29/87/710462987.db2.gz SJCLLSVKFRXTAS-RHSMWYFYSA-N 2 2 333.480 1.181 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001003652451 710470010 /nfs/dbraw/zinc/47/00/10/710470010.db2.gz NKMVQDBJYQDUEH-BRWVUGGUSA-N 2 2 346.475 1.673 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001034661875 710592912 /nfs/dbraw/zinc/59/29/12/710592912.db2.gz WNHJDZYMFMFSJO-YDHLFZDLSA-N 2 2 344.419 1.361 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC001034674799 710625188 /nfs/dbraw/zinc/62/51/88/710625188.db2.gz SENHAKQNEOJTHD-MIGQKNRLSA-N 2 2 349.479 1.940 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC001034674799 710625194 /nfs/dbraw/zinc/62/51/94/710625194.db2.gz SENHAKQNEOJTHD-MIGQKNRLSA-N 2 2 349.479 1.940 20 0 EDADLP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1)OC ZINC001005616034 710710763 /nfs/dbraw/zinc/71/07/63/710710763.db2.gz GFYHCZVKMRGSBK-YJBOKZPZSA-N 2 2 348.491 1.793 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+][C@H](C)c2noc(C)n2)CC1 ZINC001034692651 710782676 /nfs/dbraw/zinc/78/26/76/710782676.db2.gz MUWLOCRVUGJZCK-BPLDGKMQSA-N 2 2 346.435 1.661 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001034786320 711090227 /nfs/dbraw/zinc/09/02/27/711090227.db2.gz LULPFCVFMGOOKT-SHTZXODSSA-N 2 2 344.463 1.694 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003969787 711118467 /nfs/dbraw/zinc/11/84/67/711118467.db2.gz CEDQZXHEDGOQKQ-GXTWGEPZSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003969787 711118471 /nfs/dbraw/zinc/11/84/71/711118471.db2.gz CEDQZXHEDGOQKQ-GXTWGEPZSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2)o1 ZINC001034810645 711171403 /nfs/dbraw/zinc/17/14/03/711171403.db2.gz GWGLNBMVHDIQCY-MRXNPFEDSA-N 2 2 343.431 1.378 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2)o1 ZINC001034810645 711171406 /nfs/dbraw/zinc/17/14/06/711171406.db2.gz GWGLNBMVHDIQCY-MRXNPFEDSA-N 2 2 343.431 1.378 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001034883067 711285319 /nfs/dbraw/zinc/28/53/19/711285319.db2.gz KIZMWHLSFAWZQS-ZIAGYGMSSA-N 2 2 349.479 1.542 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001034883067 711285321 /nfs/dbraw/zinc/28/53/21/711285321.db2.gz KIZMWHLSFAWZQS-ZIAGYGMSSA-N 2 2 349.479 1.542 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001034956137 711425072 /nfs/dbraw/zinc/42/50/72/711425072.db2.gz OVSANPXPSJMHJB-QGZVFWFLSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001034956137 711425077 /nfs/dbraw/zinc/42/50/77/711425077.db2.gz OVSANPXPSJMHJB-QGZVFWFLSA-N 2 2 327.432 1.827 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(C)o2)CC[N@@H+]1C ZINC001034941464 711446273 /nfs/dbraw/zinc/44/62/73/711446273.db2.gz QIMSEBCALNYRKA-QLFBSQMISA-N 2 2 335.452 1.189 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(C)o2)CC[N@H+]1C ZINC001034941464 711446274 /nfs/dbraw/zinc/44/62/74/711446274.db2.gz QIMSEBCALNYRKA-QLFBSQMISA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nc(C)c(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001004153307 711550689 /nfs/dbraw/zinc/55/06/89/711550689.db2.gz ZIYZEPGAXXEQFH-UHFFFAOYSA-N 2 2 331.420 1.577 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922467490 711583227 /nfs/dbraw/zinc/58/32/27/711583227.db2.gz VZVOIWSVVPJKRH-AWEZNQCLSA-N 2 2 339.509 1.878 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922467490 711583228 /nfs/dbraw/zinc/58/32/28/711583228.db2.gz VZVOIWSVVPJKRH-AWEZNQCLSA-N 2 2 339.509 1.878 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033126389 711889586 /nfs/dbraw/zinc/88/95/86/711889586.db2.gz MNLWTNPWILFLMJ-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033126389 711889588 /nfs/dbraw/zinc/88/95/88/711889588.db2.gz MNLWTNPWILFLMJ-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033126389 711889591 /nfs/dbraw/zinc/88/95/91/711889591.db2.gz MNLWTNPWILFLMJ-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033126389 711889593 /nfs/dbraw/zinc/88/95/93/711889593.db2.gz MNLWTNPWILFLMJ-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)on1 ZINC001033154328 712164840 /nfs/dbraw/zinc/16/48/40/712164840.db2.gz ZSHHHAQVCNGVRU-ZBFHGGJFSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)on1 ZINC001033154328 712164843 /nfs/dbraw/zinc/16/48/43/712164843.db2.gz ZSHHHAQVCNGVRU-ZBFHGGJFSA-N 2 2 343.431 1.790 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCOC[C@H]1C1CC1)c1ccccc1 ZINC000249358817 282238030 /nfs/dbraw/zinc/23/80/30/282238030.db2.gz RXRKSGNSSCVSQF-MSOLQXFVSA-N 2 2 331.460 1.516 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCOC[C@H]1C1CC1)c1ccccc1 ZINC000249358817 282238033 /nfs/dbraw/zinc/23/80/33/282238033.db2.gz RXRKSGNSSCVSQF-MSOLQXFVSA-N 2 2 331.460 1.516 20 0 EDADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181038687 529722417 /nfs/dbraw/zinc/72/24/17/529722417.db2.gz NPSZEXLKUPOYAS-LPHOPBHVSA-N 2 2 345.487 1.833 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000152988739 529893582 /nfs/dbraw/zinc/89/35/82/529893582.db2.gz TYWLIOGHRVIDAV-UHFFFAOYSA-N 2 2 345.447 1.323 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000152988739 529893584 /nfs/dbraw/zinc/89/35/84/529893584.db2.gz TYWLIOGHRVIDAV-UHFFFAOYSA-N 2 2 345.447 1.323 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@H](O)c1cc(F)ccc1F ZINC000180958345 529903805 /nfs/dbraw/zinc/90/38/05/529903805.db2.gz CUDNXLCVTJWMDK-SFHVURJKSA-N 2 2 341.446 1.956 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@H](O)c1cc(F)ccc1F ZINC000180958345 529903806 /nfs/dbraw/zinc/90/38/06/529903806.db2.gz CUDNXLCVTJWMDK-SFHVURJKSA-N 2 2 341.446 1.956 20 0 EDADLP C[N@H+](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCCC1 ZINC000174757597 529913531 /nfs/dbraw/zinc/91/35/31/529913531.db2.gz KCASYVDVLBPHRK-QGZVFWFLSA-N 2 2 338.496 1.367 20 0 EDADLP C[N@@H+](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCCC1 ZINC000174757597 529913533 /nfs/dbraw/zinc/91/35/33/529913533.db2.gz KCASYVDVLBPHRK-QGZVFWFLSA-N 2 2 338.496 1.367 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000168167646 529962271 /nfs/dbraw/zinc/96/22/71/529962271.db2.gz CYRCBOVQFKABIG-LSDHHAIUSA-N 2 2 337.489 1.722 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000178499353 232205106 /nfs/dbraw/zinc/20/51/06/232205106.db2.gz XWJFDCFUBMFBOR-DZGCQCFKSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@H+]1C ZINC000178499353 232205110 /nfs/dbraw/zinc/20/51/10/232205110.db2.gz XWJFDCFUBMFBOR-DZGCQCFKSA-N 2 2 325.478 1.509 20 0 EDADLP [NH3+]C[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000178692131 232379921 /nfs/dbraw/zinc/37/99/21/232379921.db2.gz YJZOYMXSOQOGQQ-KRWDZBQOSA-N 2 2 340.427 1.277 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000561146322 306282691 /nfs/dbraw/zinc/28/26/91/306282691.db2.gz ABNFKAFPMGLWAW-CJNGLKHVSA-N 2 2 345.422 1.947 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCC[NH2+]CC2)cc1 ZINC000561147331 306282788 /nfs/dbraw/zinc/28/27/88/306282788.db2.gz RMXREBLEIQDXGW-SFHVURJKSA-N 2 2 346.475 1.373 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000332894661 539611786 /nfs/dbraw/zinc/61/17/86/539611786.db2.gz IVOITNNKTBRXSD-HOTGVXAUSA-N 2 2 348.495 1.038 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000332894661 539611793 /nfs/dbraw/zinc/61/17/93/539611793.db2.gz IVOITNNKTBRXSD-HOTGVXAUSA-N 2 2 348.495 1.038 20 0 EDADLP [NH3+][C@H]1C[C@H](NCC2([NH+]3CCOCC3)CCOCC2)c2ccccc21 ZINC000333290137 539627165 /nfs/dbraw/zinc/62/71/65/539627165.db2.gz OMTIGUUNTKLDME-ROUUACIJSA-N 2 2 331.460 1.602 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)s1 ZINC000561314060 306287073 /nfs/dbraw/zinc/28/70/73/306287073.db2.gz USBFXMBTRZQRIK-WHOHXGKFSA-N 2 2 325.482 1.603 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)s1 ZINC000561314060 306287074 /nfs/dbraw/zinc/28/70/74/306287074.db2.gz USBFXMBTRZQRIK-WHOHXGKFSA-N 2 2 325.482 1.603 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000068233226 215292919 /nfs/dbraw/zinc/29/29/19/215292919.db2.gz SNYXXUQGGMXDFR-GOSISDBHSA-N 2 2 332.492 1.433 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000068233226 215292923 /nfs/dbraw/zinc/29/29/23/215292923.db2.gz SNYXXUQGGMXDFR-GOSISDBHSA-N 2 2 332.492 1.433 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000068233226 215292927 /nfs/dbraw/zinc/29/29/27/215292927.db2.gz SNYXXUQGGMXDFR-GOSISDBHSA-N 2 2 332.492 1.433 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000068233226 215292931 /nfs/dbraw/zinc/29/29/31/215292931.db2.gz SNYXXUQGGMXDFR-GOSISDBHSA-N 2 2 332.492 1.433 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982018 306291781 /nfs/dbraw/zinc/29/17/81/306291781.db2.gz IIIUPHITEABZMJ-DOTOQJQBSA-N 3 2 332.496 1.000 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982018 306291782 /nfs/dbraw/zinc/29/17/82/306291782.db2.gz IIIUPHITEABZMJ-DOTOQJQBSA-N 3 2 332.496 1.000 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982018 306291783 /nfs/dbraw/zinc/29/17/83/306291783.db2.gz IIIUPHITEABZMJ-DOTOQJQBSA-N 3 2 332.496 1.000 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982018 306291784 /nfs/dbraw/zinc/29/17/84/306291784.db2.gz IIIUPHITEABZMJ-DOTOQJQBSA-N 3 2 332.496 1.000 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000562866646 306311536 /nfs/dbraw/zinc/31/15/36/306311536.db2.gz GTAFGMFMUSBNNX-UHFFFAOYSA-N 2 2 341.415 1.455 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)CC1 ZINC000562935143 306312807 /nfs/dbraw/zinc/31/28/07/306312807.db2.gz CTIFGALMUVSZLC-SJORKVTESA-N 2 2 346.500 1.430 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nnnn3CC2)C[N@H+](Cc2ccccc2)C1 ZINC000562940012 306313023 /nfs/dbraw/zinc/31/30/23/306313023.db2.gz KONSOCMMYHMGIC-NJAFHUGGSA-N 2 2 340.475 1.878 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nnnn3CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000562940012 306313024 /nfs/dbraw/zinc/31/30/24/306313024.db2.gz KONSOCMMYHMGIC-NJAFHUGGSA-N 2 2 340.475 1.878 20 0 EDADLP c1cc(N2CCOCC2)nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[nH+]1 ZINC000161897269 540040179 /nfs/dbraw/zinc/04/01/79/540040179.db2.gz XYPPWFXAUBZZEC-NVXWUHKLSA-N 2 2 343.475 1.766 20 0 EDADLP c1cc(N2CCOCC2)nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH+]1 ZINC000161897269 540040182 /nfs/dbraw/zinc/04/01/82/540040182.db2.gz XYPPWFXAUBZZEC-NVXWUHKLSA-N 2 2 343.475 1.766 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cscc1Br ZINC000286572717 540084513 /nfs/dbraw/zinc/08/45/13/540084513.db2.gz PSKVXZMNXUQDMD-GFCCVEGCSA-N 2 2 346.294 1.940 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cscc1Br ZINC000286572717 540084515 /nfs/dbraw/zinc/08/45/15/540084515.db2.gz PSKVXZMNXUQDMD-GFCCVEGCSA-N 2 2 346.294 1.940 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000563270831 306325843 /nfs/dbraw/zinc/32/58/43/306325843.db2.gz BZKLZZYNJROHQV-IBGZPJMESA-N 4 2 340.556 1.085 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000563270831 306325844 /nfs/dbraw/zinc/32/58/44/306325844.db2.gz BZKLZZYNJROHQV-IBGZPJMESA-N 4 2 340.556 1.085 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2coc3ccccc23)CN1CC[NH+]1CCOCC1 ZINC000179083910 540114944 /nfs/dbraw/zinc/11/49/44/540114944.db2.gz GURMKIGHWFJFLF-INIZCTEOSA-N 2 2 343.427 1.456 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000563349081 306328881 /nfs/dbraw/zinc/32/88/81/306328881.db2.gz OXCCFINUQHTHTA-XOKHGSTOSA-N 2 2 335.423 1.537 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000563349081 306328882 /nfs/dbraw/zinc/32/88/82/306328882.db2.gz OXCCFINUQHTHTA-XOKHGSTOSA-N 2 2 335.423 1.537 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131196893 535297202 /nfs/dbraw/zinc/29/72/02/535297202.db2.gz IPLZGEICXGVTEV-HNNXBMFYSA-N 2 2 325.453 1.134 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131196893 535297208 /nfs/dbraw/zinc/29/72/08/535297208.db2.gz IPLZGEICXGVTEV-HNNXBMFYSA-N 2 2 325.453 1.134 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSc3ccncc3)CC2)CC1 ZINC000050802342 138132783 /nfs/dbraw/zinc/13/27/83/138132783.db2.gz DXFYAKMZLGNVMJ-UHFFFAOYSA-N 2 2 348.516 1.849 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)O1 ZINC000068475421 138194335 /nfs/dbraw/zinc/19/43/35/138194335.db2.gz AJLDOUNPHUEMCY-MRXNPFEDSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)O1 ZINC000068475421 138194337 /nfs/dbraw/zinc/19/43/37/138194337.db2.gz AJLDOUNPHUEMCY-MRXNPFEDSA-N 2 2 346.475 1.620 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000073944057 138222468 /nfs/dbraw/zinc/22/24/68/138222468.db2.gz QYXOIAJFLOYLKV-MRXNPFEDSA-N 2 2 332.448 1.196 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000073944057 138222469 /nfs/dbraw/zinc/22/24/69/138222469.db2.gz QYXOIAJFLOYLKV-MRXNPFEDSA-N 2 2 332.448 1.196 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074065255 138224396 /nfs/dbraw/zinc/22/43/96/138224396.db2.gz CFTFPGWHKZSMEW-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074065255 138224397 /nfs/dbraw/zinc/22/43/97/138224397.db2.gz CFTFPGWHKZSMEW-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000074767786 138238921 /nfs/dbraw/zinc/23/89/21/138238921.db2.gz UIGYLUSLRSTNAW-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105301846 138301157 /nfs/dbraw/zinc/30/11/57/138301157.db2.gz GHGPQJCVUYCYLM-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000092253628 138287231 /nfs/dbraw/zinc/28/72/31/138287231.db2.gz WCRAODUHLRUPNX-MRXNPFEDSA-N 2 2 336.480 1.837 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000092253628 138287232 /nfs/dbraw/zinc/28/72/32/138287232.db2.gz WCRAODUHLRUPNX-MRXNPFEDSA-N 2 2 336.480 1.837 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000092253628 138287233 /nfs/dbraw/zinc/28/72/33/138287233.db2.gz WCRAODUHLRUPNX-MRXNPFEDSA-N 2 2 336.480 1.837 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000092253628 138287234 /nfs/dbraw/zinc/28/72/34/138287234.db2.gz WCRAODUHLRUPNX-MRXNPFEDSA-N 2 2 336.480 1.837 20 0 EDADLP COc1ccccc1/C=C/C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000093046910 138291289 /nfs/dbraw/zinc/29/12/89/138291289.db2.gz IQSQRCGBYNAPGD-SOFGYWHQSA-N 2 2 343.471 1.948 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000093133323 138292011 /nfs/dbraw/zinc/29/20/11/138292011.db2.gz YCRQJYUYYLQOBI-GAJHUEQPSA-N 2 2 335.517 1.636 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000093133323 138292012 /nfs/dbraw/zinc/29/20/12/138292012.db2.gz YCRQJYUYYLQOBI-GAJHUEQPSA-N 2 2 335.517 1.636 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC1 ZINC000120959958 138316648 /nfs/dbraw/zinc/31/66/48/138316648.db2.gz BEKZPVXQAPLRKT-INIZCTEOSA-N 2 2 345.443 1.369 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC1 ZINC000120959958 138316649 /nfs/dbraw/zinc/31/66/49/138316649.db2.gz BEKZPVXQAPLRKT-INIZCTEOSA-N 2 2 345.443 1.369 20 0 EDADLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1=O ZINC000116375164 138311725 /nfs/dbraw/zinc/31/17/25/138311725.db2.gz RBCNGIWKRMNIIH-GFCCVEGCSA-N 2 2 336.342 1.917 20 0 EDADLP CO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124707364 138329086 /nfs/dbraw/zinc/32/90/86/138329086.db2.gz HSDJTDKVVGDYFT-HYVNUMGLSA-N 2 2 325.497 1.817 20 0 EDADLP CO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124707364 138329087 /nfs/dbraw/zinc/32/90/87/138329087.db2.gz HSDJTDKVVGDYFT-HYVNUMGLSA-N 2 2 325.497 1.817 20 0 EDADLP C[C@H](CNC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)[NH+]1CCOCC1 ZINC000126226777 138337686 /nfs/dbraw/zinc/33/76/86/138337686.db2.gz AHTJEVLSWUQQBV-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](CNC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)[NH+]1CCOCC1 ZINC000126226777 138337687 /nfs/dbraw/zinc/33/76/87/138337687.db2.gz AHTJEVLSWUQQBV-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C)[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1c(F)cccc1F ZINC000563706167 306345654 /nfs/dbraw/zinc/34/56/54/306345654.db2.gz GKOZDXPUFZRNBI-XJKSGUPXSA-N 2 2 327.419 1.612 20 0 EDADLP CN(C)[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1c(F)cccc1F ZINC000563706167 306345655 /nfs/dbraw/zinc/34/56/55/306345655.db2.gz GKOZDXPUFZRNBI-XJKSGUPXSA-N 2 2 327.419 1.612 20 0 EDADLP Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)c2cccc(F)c2[nH+]1 ZINC000129135697 223025844 /nfs/dbraw/zinc/02/58/44/223025844.db2.gz ODRFAVNBCOPAQW-AWEZNQCLSA-N 2 2 333.407 1.812 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000649546850 452138740 /nfs/dbraw/zinc/13/87/40/452138740.db2.gz BVNMPDBNOWZQHC-SMDDNHRTSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000187486627 236223795 /nfs/dbraw/zinc/22/37/95/236223795.db2.gz CMTUORCSOZJDLU-HNNXBMFYSA-N 2 2 349.479 1.370 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000187486627 236223796 /nfs/dbraw/zinc/22/37/96/236223796.db2.gz CMTUORCSOZJDLU-HNNXBMFYSA-N 2 2 349.479 1.370 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792199 296000912 /nfs/dbraw/zinc/00/09/12/296000912.db2.gz QXSAGPJINUDPNU-ZWKOTPCHSA-N 3 2 338.540 1.293 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)sc2n1 ZINC000129525102 223065611 /nfs/dbraw/zinc/06/56/11/223065611.db2.gz HIKBJCGLQVUPAS-WCQYABFASA-N 2 2 344.444 1.739 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)sc2n1 ZINC000129525102 223065615 /nfs/dbraw/zinc/06/56/15/223065615.db2.gz HIKBJCGLQVUPAS-WCQYABFASA-N 2 2 344.444 1.739 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000107822965 219809812 /nfs/dbraw/zinc/80/98/12/219809812.db2.gz VAISVJRKEIWQEJ-QGZVFWFLSA-N 2 2 338.496 1.369 20 0 EDADLP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)(C)C[NH+]1CCOCC1 ZINC000414042751 304097668 /nfs/dbraw/zinc/09/76/68/304097668.db2.gz OXFWEFVBIGTICZ-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000072857939 216319162 /nfs/dbraw/zinc/31/91/62/216319162.db2.gz GWXMBXHYZBMDKG-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000072857939 216319167 /nfs/dbraw/zinc/31/91/67/216319167.db2.gz GWXMBXHYZBMDKG-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000072857939 216319171 /nfs/dbraw/zinc/31/91/71/216319171.db2.gz GWXMBXHYZBMDKG-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000072857939 216319175 /nfs/dbraw/zinc/31/91/75/216319175.db2.gz GWXMBXHYZBMDKG-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(COC)cc2)C1 ZINC000072858205 216319454 /nfs/dbraw/zinc/31/94/54/216319454.db2.gz AFVGSVQIZULAOR-SFHVURJKSA-N 2 2 333.476 1.723 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(COC)cc2)C1 ZINC000072858205 216319459 /nfs/dbraw/zinc/31/94/59/216319459.db2.gz AFVGSVQIZULAOR-SFHVURJKSA-N 2 2 333.476 1.723 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(COC)cc2)C1 ZINC000072858205 216319463 /nfs/dbraw/zinc/31/94/63/216319463.db2.gz AFVGSVQIZULAOR-SFHVURJKSA-N 2 2 333.476 1.723 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(COC)cc2)C1 ZINC000072858205 216319466 /nfs/dbraw/zinc/31/94/66/216319466.db2.gz AFVGSVQIZULAOR-SFHVURJKSA-N 2 2 333.476 1.723 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1Oc1ccccc1 ZINC000566130950 306399340 /nfs/dbraw/zinc/39/93/40/306399340.db2.gz FVFAHXJZNWVGOT-QXCFHYIPSA-N 2 2 334.460 1.656 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1Oc1ccccc1 ZINC000566130950 306399341 /nfs/dbraw/zinc/39/93/41/306399341.db2.gz FVFAHXJZNWVGOT-QXCFHYIPSA-N 2 2 334.460 1.656 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000414731431 304134274 /nfs/dbraw/zinc/13/42/74/304134274.db2.gz BUDNBIZCWKSARL-PKOBYXMFSA-N 2 2 344.503 1.783 20 0 EDADLP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000414749230 304137043 /nfs/dbraw/zinc/13/70/43/304137043.db2.gz VTZOXTYLPLKNLB-KRWDZBQOSA-N 3 2 338.540 1.770 20 0 EDADLP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000414749230 304137044 /nfs/dbraw/zinc/13/70/44/304137044.db2.gz VTZOXTYLPLKNLB-KRWDZBQOSA-N 3 2 338.540 1.770 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000566733714 306426840 /nfs/dbraw/zinc/42/68/40/306426840.db2.gz HCZQLEVQISAXJH-MBOZVWFJSA-N 3 2 349.519 1.350 20 0 EDADLP COc1sc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1Br ZINC000415029383 304152056 /nfs/dbraw/zinc/15/20/56/304152056.db2.gz AWGJNEWOCIKQQH-SECBINFHSA-N 2 2 335.267 1.987 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415107110 304160559 /nfs/dbraw/zinc/16/05/59/304160559.db2.gz IOUDJHXCANKDFE-NSHDSACASA-N 2 2 336.358 1.219 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415107110 304160560 /nfs/dbraw/zinc/16/05/60/304160560.db2.gz IOUDJHXCANKDFE-NSHDSACASA-N 2 2 336.358 1.219 20 0 EDADLP Cc1cnc([C@@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000079082074 217189481 /nfs/dbraw/zinc/18/94/81/217189481.db2.gz NJYBGTKGAUDTNE-CYBMUJFWSA-N 2 2 339.509 1.838 20 0 EDADLP [NH3+]C[C@H]1CCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415165600 304169060 /nfs/dbraw/zinc/16/90/60/304169060.db2.gz ZOYANMRYPHHOLB-CQSZACIVSA-N 2 2 329.404 1.917 20 0 EDADLP CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110671095 220054987 /nfs/dbraw/zinc/05/49/87/220054987.db2.gz GGCRVISXFQSBOW-GOSISDBHSA-N 2 2 345.487 1.981 20 0 EDADLP CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110671095 220054990 /nfs/dbraw/zinc/05/49/90/220054990.db2.gz GGCRVISXFQSBOW-GOSISDBHSA-N 2 2 345.487 1.981 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000496072455 284341212 /nfs/dbraw/zinc/34/12/12/284341212.db2.gz ZHNMCEIYINFPCH-DLBZAZTESA-N 2 2 341.496 1.822 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000496072455 284341213 /nfs/dbraw/zinc/34/12/13/284341213.db2.gz ZHNMCEIYINFPCH-DLBZAZTESA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000496072455 284341214 /nfs/dbraw/zinc/34/12/14/284341214.db2.gz ZHNMCEIYINFPCH-DLBZAZTESA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000496072455 284341215 /nfs/dbraw/zinc/34/12/15/284341215.db2.gz ZHNMCEIYINFPCH-DLBZAZTESA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125288 220102068 /nfs/dbraw/zinc/10/20/68/220102068.db2.gz XDLGGYTYOXTNJQ-GOSISDBHSA-N 2 2 333.476 1.386 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125288 220102071 /nfs/dbraw/zinc/10/20/71/220102071.db2.gz XDLGGYTYOXTNJQ-GOSISDBHSA-N 2 2 333.476 1.386 20 0 EDADLP COc1ccc([C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000237488703 139052419 /nfs/dbraw/zinc/05/24/19/139052419.db2.gz BFTCGZUMEVLRNL-ZWKOTPCHSA-N 2 2 347.459 1.327 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000237605478 139055406 /nfs/dbraw/zinc/05/54/06/139055406.db2.gz HZXLJDMCPWSMLA-UHFFFAOYSA-N 2 2 334.464 1.715 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000237662558 139057191 /nfs/dbraw/zinc/05/71/91/139057191.db2.gz PLNZBBZTWMZDMK-KHYOSLBOSA-N 2 2 346.475 1.701 20 0 EDADLP Cc1cccc([C@H](CNC(=O)CC2CC[NH2+]CC2)[NH+]2CCOCC2)c1 ZINC000237791930 139060506 /nfs/dbraw/zinc/06/05/06/139060506.db2.gz RSBHMMQXTLLCBP-IBGZPJMESA-N 2 2 345.487 1.874 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CCC[NH2+]C3)cn2c1 ZINC000237905203 139063373 /nfs/dbraw/zinc/06/33/73/139063373.db2.gz BTGJBOPAZHZFKP-AWEZNQCLSA-N 2 2 332.473 1.992 20 0 EDADLP [NH3+][C@@H]1CC[C@H](C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000237962855 139065255 /nfs/dbraw/zinc/06/52/55/139065255.db2.gz DTHXGKMBQMINGH-DLBZAZTESA-N 2 2 347.459 1.141 20 0 EDADLP O=C(Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)[C@H]1C[NH2+]CCO1 ZINC000237911962 139063651 /nfs/dbraw/zinc/06/36/51/139063651.db2.gz XDUOSJYPNDTNRS-MRXNPFEDSA-N 2 2 326.400 1.813 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081300898 217380912 /nfs/dbraw/zinc/38/09/12/217380912.db2.gz ZCKHFEKSKXKTEH-INIZCTEOSA-N 2 2 341.402 1.186 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081300898 217380913 /nfs/dbraw/zinc/38/09/13/217380913.db2.gz ZCKHFEKSKXKTEH-INIZCTEOSA-N 2 2 341.402 1.186 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000238056109 139067824 /nfs/dbraw/zinc/06/78/24/139067824.db2.gz REJDUYMMKXAVOY-IAGOWNOFSA-N 2 2 349.500 1.099 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000238056109 139067825 /nfs/dbraw/zinc/06/78/25/139067825.db2.gz REJDUYMMKXAVOY-IAGOWNOFSA-N 2 2 349.500 1.099 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238062247 139067954 /nfs/dbraw/zinc/06/79/54/139067954.db2.gz KLGVOVDNYQBFPJ-KRWDZBQOSA-N 2 2 329.444 1.847 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000245442743 139075102 /nfs/dbraw/zinc/07/51/02/139075102.db2.gz IGYMWMRGLITAKC-CVEARBPZSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000245442743 139075103 /nfs/dbraw/zinc/07/51/03/139075103.db2.gz IGYMWMRGLITAKC-CVEARBPZSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000245442743 139075104 /nfs/dbraw/zinc/07/51/04/139075104.db2.gz IGYMWMRGLITAKC-CVEARBPZSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000245442743 139075105 /nfs/dbraw/zinc/07/51/05/139075105.db2.gz IGYMWMRGLITAKC-CVEARBPZSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245541604 139078517 /nfs/dbraw/zinc/07/85/17/139078517.db2.gz KXAWRSYHIKJLHW-BBWFWOEESA-N 2 2 343.475 1.929 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245541604 139078518 /nfs/dbraw/zinc/07/85/18/139078518.db2.gz KXAWRSYHIKJLHW-BBWFWOEESA-N 2 2 343.475 1.929 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000245865842 139087901 /nfs/dbraw/zinc/08/79/01/139087901.db2.gz FJOOAAACGUSLNZ-SOLBZPMBSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000245865842 139087899 /nfs/dbraw/zinc/08/78/99/139087899.db2.gz FJOOAAACGUSLNZ-SOLBZPMBSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000245865842 139087900 /nfs/dbraw/zinc/08/79/00/139087900.db2.gz FJOOAAACGUSLNZ-SOLBZPMBSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000245865842 139087902 /nfs/dbraw/zinc/08/79/02/139087902.db2.gz FJOOAAACGUSLNZ-SOLBZPMBSA-N 2 2 331.460 1.438 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000245884755 139088529 /nfs/dbraw/zinc/08/85/29/139088529.db2.gz CNCHISNMDRMUKC-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000246050643 139093232 /nfs/dbraw/zinc/09/32/32/139093232.db2.gz BCFMDWLIMMPUMW-PMPSAXMXSA-N 2 2 325.497 1.628 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246427859 139107887 /nfs/dbraw/zinc/10/78/87/139107887.db2.gz MNPLIRBWHBFZKH-KFWWJZLASA-N 2 2 337.468 1.236 20 0 EDADLP C[C@@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246942914 139127965 /nfs/dbraw/zinc/12/79/65/139127965.db2.gz BZYNBCQJKHHKDU-ZIAGYGMSSA-N 2 2 333.436 1.487 20 0 EDADLP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247250366 139142534 /nfs/dbraw/zinc/14/25/34/139142534.db2.gz ZPQKVEVJZGVFHT-LZLYRXPVSA-N 2 2 330.476 1.893 20 0 EDADLP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247250366 139142535 /nfs/dbraw/zinc/14/25/35/139142535.db2.gz ZPQKVEVJZGVFHT-LZLYRXPVSA-N 2 2 330.476 1.893 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247541885 139151762 /nfs/dbraw/zinc/15/17/62/139151762.db2.gz PFEHSENLVAYAIV-RBUKOAKNSA-N 2 2 345.487 1.736 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247541885 139151763 /nfs/dbraw/zinc/15/17/63/139151763.db2.gz PFEHSENLVAYAIV-RBUKOAKNSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247541885 139151764 /nfs/dbraw/zinc/15/17/64/139151764.db2.gz PFEHSENLVAYAIV-RBUKOAKNSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247541885 139151765 /nfs/dbraw/zinc/15/17/65/139151765.db2.gz PFEHSENLVAYAIV-RBUKOAKNSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000248720705 139173056 /nfs/dbraw/zinc/17/30/56/139173056.db2.gz HXBXSZNAOYYBHA-PMACEKPBSA-N 2 2 347.503 1.276 20 0 EDADLP CC[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000248720705 139173057 /nfs/dbraw/zinc/17/30/57/139173057.db2.gz HXBXSZNAOYYBHA-PMACEKPBSA-N 2 2 347.503 1.276 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093148114 218197472 /nfs/dbraw/zinc/19/74/72/218197472.db2.gz VEMBLEOHRSKBGQ-OAHLLOKOSA-N 2 2 336.505 1.449 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093148114 218197474 /nfs/dbraw/zinc/19/74/74/218197474.db2.gz VEMBLEOHRSKBGQ-OAHLLOKOSA-N 2 2 336.505 1.449 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn3cccnc3n2)[C@@H](C)C1 ZINC000249483984 139193872 /nfs/dbraw/zinc/19/38/72/139193872.db2.gz UBTSWXRGDTXZGU-RDJZCZTQSA-N 2 2 331.464 1.956 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn3cccnc3n2)[C@@H](C)C1 ZINC000249483984 139193873 /nfs/dbraw/zinc/19/38/73/139193873.db2.gz UBTSWXRGDTXZGU-RDJZCZTQSA-N 2 2 331.464 1.956 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252692407 139205020 /nfs/dbraw/zinc/20/50/20/139205020.db2.gz LVBICWBVGGMBAF-FZCLSBEQSA-N 2 2 335.492 1.619 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000252692407 139205021 /nfs/dbraw/zinc/20/50/21/139205021.db2.gz LVBICWBVGGMBAF-FZCLSBEQSA-N 2 2 335.492 1.619 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000252692407 139205022 /nfs/dbraw/zinc/20/50/22/139205022.db2.gz LVBICWBVGGMBAF-FZCLSBEQSA-N 2 2 335.492 1.619 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000252692407 139205023 /nfs/dbraw/zinc/20/50/23/139205023.db2.gz LVBICWBVGGMBAF-FZCLSBEQSA-N 2 2 335.492 1.619 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000261602610 139209931 /nfs/dbraw/zinc/20/99/31/139209931.db2.gz ANIVNJPRCOIKGZ-WMZOPIPTSA-N 2 2 335.423 1.396 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000261602610 139209932 /nfs/dbraw/zinc/20/99/32/139209932.db2.gz ANIVNJPRCOIKGZ-WMZOPIPTSA-N 2 2 335.423 1.396 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2COCc3ccccc32)CC1 ZINC000569094699 306496163 /nfs/dbraw/zinc/49/61/63/306496163.db2.gz GAZYZQOVOKGFNU-GOSISDBHSA-N 2 2 346.475 1.583 20 0 EDADLP [NH3+]C1(c2noc(C[C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CCC1 ZINC000261968460 139240693 /nfs/dbraw/zinc/24/06/93/139240693.db2.gz QBVLRRKKKPZHQE-OAHLLOKOSA-N 2 2 328.416 1.851 20 0 EDADLP [NH3+]C1(c2noc(C[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CCC1 ZINC000261968460 139240694 /nfs/dbraw/zinc/24/06/94/139240694.db2.gz QBVLRRKKKPZHQE-OAHLLOKOSA-N 2 2 328.416 1.851 20 0 EDADLP CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cs1)C1CC1 ZINC000262108648 139251520 /nfs/dbraw/zinc/25/15/20/139251520.db2.gz JZDPOKNSKDTEGI-MRXNPFEDSA-N 2 2 349.504 1.138 20 0 EDADLP CC(=O)N(c1nc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cs1)C1CC1 ZINC000262108648 139251521 /nfs/dbraw/zinc/25/15/21/139251521.db2.gz JZDPOKNSKDTEGI-MRXNPFEDSA-N 2 2 349.504 1.138 20 0 EDADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000262210605 139260332 /nfs/dbraw/zinc/26/03/32/139260332.db2.gz DXHRWILOZIEKEU-WFASDCNBSA-N 2 2 325.840 1.519 20 0 EDADLP C[NH+](C)[C@@H](CC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000416150175 251054117 /nfs/dbraw/zinc/05/41/17/251054117.db2.gz JDBKKBOFEAGPCN-KRWDZBQOSA-N 2 2 333.476 1.906 20 0 EDADLP C[NH+](C)[C@@H](CC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000416150175 251054118 /nfs/dbraw/zinc/05/41/18/251054118.db2.gz JDBKKBOFEAGPCN-KRWDZBQOSA-N 2 2 333.476 1.906 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000262279679 139266124 /nfs/dbraw/zinc/26/61/24/139266124.db2.gz KOWOEEHYHYVIIA-SJORKVTESA-N 3 2 336.524 1.570 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000416882609 251117715 /nfs/dbraw/zinc/11/77/15/251117715.db2.gz AIUISGQAKPAAJO-ZIAGYGMSSA-N 2 2 333.823 1.824 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[NH2+]1 ZINC000416998323 251125575 /nfs/dbraw/zinc/12/55/75/251125575.db2.gz RYVSGKWTDAOETI-RHSMWYFYSA-N 2 2 327.432 1.871 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417024187 251138970 /nfs/dbraw/zinc/13/89/70/251138970.db2.gz KKWRVGGPMAMKAH-DOTOQJQBSA-N 2 2 334.464 1.487 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417592873 251201807 /nfs/dbraw/zinc/20/18/07/251201807.db2.gz YOPKHGWLZCXNDL-OLZOCXBDSA-N 2 2 340.418 1.918 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417592873 251201809 /nfs/dbraw/zinc/20/18/09/251201809.db2.gz YOPKHGWLZCXNDL-OLZOCXBDSA-N 2 2 340.418 1.918 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000417653927 251214476 /nfs/dbraw/zinc/21/44/76/251214476.db2.gz BTBHCJLDOHGEFW-SMDDNHRTSA-N 2 2 326.391 1.619 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417687417 251229802 /nfs/dbraw/zinc/22/98/02/251229802.db2.gz HWFICEVBOZIQJV-CQSZACIVSA-N 2 2 349.385 1.916 20 0 EDADLP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000262460050 139280642 /nfs/dbraw/zinc/28/06/42/139280642.db2.gz WZXUWNPKPHCSHH-INIZCTEOSA-N 2 2 337.851 1.363 20 0 EDADLP C[C@H]1C[N@@H+]([C@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CCO1 ZINC000417837549 251291563 /nfs/dbraw/zinc/29/15/63/251291563.db2.gz VKFSJOARQRMUFK-QWHCGFSZSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@H]1C[N@H+]([C@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CCO1 ZINC000417837549 251291567 /nfs/dbraw/zinc/29/15/67/251291567.db2.gz VKFSJOARQRMUFK-QWHCGFSZSA-N 2 2 340.493 1.546 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418725688 251398294 /nfs/dbraw/zinc/39/82/94/251398294.db2.gz LCYVVRAOBMIHDE-HNNXBMFYSA-N 2 2 340.418 1.792 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[NH2+][C@H](C)[C@H]3C)CC2)cs1 ZINC000262720221 139298840 /nfs/dbraw/zinc/29/88/40/139298840.db2.gz FMFHVWMJRCPHRP-CHWSQXEVSA-N 2 2 336.505 1.872 20 0 EDADLP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000262889187 139310675 /nfs/dbraw/zinc/31/06/75/139310675.db2.gz ZWJZLHIROIUHQM-ZFWWWQNUSA-N 2 2 328.420 1.898 20 0 EDADLP OC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccc(F)c(Br)c1 ZINC000423169784 252041309 /nfs/dbraw/zinc/04/13/09/252041309.db2.gz ZWJMELBYSKAQSQ-VXGBXAGGSA-N 2 2 331.229 1.691 20 0 EDADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)ccc1OC(F)F ZINC000423481822 252055496 /nfs/dbraw/zinc/05/54/96/252055496.db2.gz QTHUPJADDIOZPM-AAEUAGOBSA-N 2 2 329.391 1.851 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1OCC(=O)N(C)C ZINC000423511249 252058140 /nfs/dbraw/zinc/05/81/40/252058140.db2.gz KGPDTUJZYRWZPX-WBVHZDCISA-N 2 2 349.475 1.573 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423864765 252096756 /nfs/dbraw/zinc/09/67/56/252096756.db2.gz ZIDCPUXRUSCXMX-HOTGVXAUSA-N 2 2 333.476 1.974 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423864765 252096760 /nfs/dbraw/zinc/09/67/60/252096760.db2.gz ZIDCPUXRUSCXMX-HOTGVXAUSA-N 2 2 333.476 1.974 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423863812 252096781 /nfs/dbraw/zinc/09/67/81/252096781.db2.gz XCOCNSUIXMSCCS-KGLIPLIRSA-N 2 2 327.469 1.106 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423863812 252096784 /nfs/dbraw/zinc/09/67/84/252096784.db2.gz XCOCNSUIXMSCCS-KGLIPLIRSA-N 2 2 327.469 1.106 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000424005900 252112463 /nfs/dbraw/zinc/11/24/63/252112463.db2.gz WKGBBKFVXWDSAB-SJORKVTESA-N 2 2 339.443 1.252 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000424005900 252112468 /nfs/dbraw/zinc/11/24/68/252112468.db2.gz WKGBBKFVXWDSAB-SJORKVTESA-N 2 2 339.443 1.252 20 0 EDADLP C[C@H](CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)n1cccn1 ZINC000424761192 252275004 /nfs/dbraw/zinc/27/50/04/252275004.db2.gz JFKFCGYJTKZQMF-CVEARBPZSA-N 2 2 333.480 1.461 20 0 EDADLP C[C@H](CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)n1cccn1 ZINC000424761192 252275009 /nfs/dbraw/zinc/27/50/09/252275009.db2.gz JFKFCGYJTKZQMF-CVEARBPZSA-N 2 2 333.480 1.461 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000425001559 252292910 /nfs/dbraw/zinc/29/29/10/252292910.db2.gz OWLNPJJJSKAZHM-GOSISDBHSA-N 2 2 347.503 1.729 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC3(C2)CCCCC3)CN1CC[NH+]1CCOCC1 ZINC000421341714 296347464 /nfs/dbraw/zinc/34/74/64/296347464.db2.gz KWKLDKOFAQTNAK-INIZCTEOSA-N 2 2 335.492 1.622 20 0 EDADLP CC1(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C[NH2+]C1 ZINC000570153835 306531563 /nfs/dbraw/zinc/53/15/63/306531563.db2.gz BZZRONNZKQRWSH-AWEZNQCLSA-N 2 2 330.432 1.271 20 0 EDADLP COCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000367078307 285178126 /nfs/dbraw/zinc/17/81/26/285178126.db2.gz BIVIBWLUTBGJLR-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C3CC3)CC2)CC1 ZINC000422025977 285187487 /nfs/dbraw/zinc/18/74/87/285187487.db2.gz UDDMNLMCLLRNAH-IBGZPJMESA-N 3 2 348.535 1.632 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C3CC3)CC2)CC1 ZINC000422025977 285187488 /nfs/dbraw/zinc/18/74/88/285187488.db2.gz UDDMNLMCLLRNAH-IBGZPJMESA-N 3 2 348.535 1.632 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000422025977 285187489 /nfs/dbraw/zinc/18/74/89/285187489.db2.gz UDDMNLMCLLRNAH-IBGZPJMESA-N 3 2 348.535 1.632 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000422025977 285187490 /nfs/dbraw/zinc/18/74/90/285187490.db2.gz UDDMNLMCLLRNAH-IBGZPJMESA-N 3 2 348.535 1.632 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccn(C)n1 ZINC000459790650 255001738 /nfs/dbraw/zinc/00/17/38/255001738.db2.gz MRLUZJILGYFFGE-CABCVRRESA-N 2 2 342.447 1.203 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)/C=C\C[NH+](C)C)on1 ZINC000491982096 255157347 /nfs/dbraw/zinc/15/73/47/255157347.db2.gz JAEWOPYEBNXGJB-LUNKNMTDSA-N 2 2 338.427 1.472 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000492299449 255168934 /nfs/dbraw/zinc/16/89/34/255168934.db2.gz MTDJYKBQLVXCMT-ABCZVMIZSA-N 2 2 332.448 1.533 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000492310504 255169977 /nfs/dbraw/zinc/16/99/77/255169977.db2.gz FWEBPTHKGLBTHX-ZMWOBVFASA-N 2 2 334.464 1.920 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000492310504 255169978 /nfs/dbraw/zinc/16/99/78/255169978.db2.gz FWEBPTHKGLBTHX-ZMWOBVFASA-N 2 2 334.464 1.920 20 0 EDADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495332904 255281498 /nfs/dbraw/zinc/28/14/98/255281498.db2.gz ZCYZQYVCKIACAN-HNNXBMFYSA-N 2 2 329.485 1.944 20 0 EDADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495332904 255281499 /nfs/dbraw/zinc/28/14/99/255281499.db2.gz ZCYZQYVCKIACAN-HNNXBMFYSA-N 2 2 329.485 1.944 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[C@H]([NH3+])C2)[nH+]cc1Br ZINC000415789539 304271634 /nfs/dbraw/zinc/27/16/34/304271634.db2.gz NLMDVJBDLIYARW-QMMMGPOBSA-N 2 2 328.214 1.475 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000494208778 255242392 /nfs/dbraw/zinc/24/23/92/255242392.db2.gz NIGOJHSKECZSFG-GOSISDBHSA-N 2 2 348.491 1.658 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000494208778 255242393 /nfs/dbraw/zinc/24/23/93/255242393.db2.gz NIGOJHSKECZSFG-GOSISDBHSA-N 2 2 348.491 1.658 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CC1 ZINC000494389570 255248949 /nfs/dbraw/zinc/24/89/49/255248949.db2.gz YPIHWOBZZCTICE-AWEZNQCLSA-N 2 2 344.463 1.937 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC[C@@H](C)C2)CCO1 ZINC000494660182 255256439 /nfs/dbraw/zinc/25/64/39/255256439.db2.gz FAEBJIAJRVBALG-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC[C@@H](C)C2)CCO1 ZINC000494660182 255256440 /nfs/dbraw/zinc/25/64/40/255256440.db2.gz FAEBJIAJRVBALG-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000494660182 255256441 /nfs/dbraw/zinc/25/64/41/255256441.db2.gz FAEBJIAJRVBALG-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000494660182 255256442 /nfs/dbraw/zinc/25/64/42/255256442.db2.gz FAEBJIAJRVBALG-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000263891668 139367728 /nfs/dbraw/zinc/36/77/28/139367728.db2.gz UTCYVVXVUYHGKE-UHFFFAOYSA-N 2 2 335.448 1.031 20 0 EDADLP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000496494780 255399263 /nfs/dbraw/zinc/39/92/63/255399263.db2.gz WUJYTCWZWYUOPJ-IJEWVQPXSA-N 2 2 327.469 1.600 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117757115 221086148 /nfs/dbraw/zinc/08/61/48/221086148.db2.gz RCAVMGGHRAWMAJ-UHFFFAOYSA-N 2 2 328.416 1.715 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118841399 221193861 /nfs/dbraw/zinc/19/38/61/221193861.db2.gz XAHSKWYNEDBGJY-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118841399 221193863 /nfs/dbraw/zinc/19/38/63/221193863.db2.gz XAHSKWYNEDBGJY-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000118841399 221193865 /nfs/dbraw/zinc/19/38/65/221193865.db2.gz XAHSKWYNEDBGJY-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000118841399 221193868 /nfs/dbraw/zinc/19/38/68/221193868.db2.gz XAHSKWYNEDBGJY-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP COC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000119299801 221288724 /nfs/dbraw/zinc/28/87/24/221288724.db2.gz XUNXVMGIZLBKQH-KRWDZBQOSA-N 2 2 338.496 1.269 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCc2[nH+]ccn2C)[NH+]2CCCC2)o1 ZINC000264225909 139388301 /nfs/dbraw/zinc/38/83/01/139388301.db2.gz UXBJZVIPYPNLOK-CQSZACIVSA-N 2 2 331.420 1.958 20 0 EDADLP O[C@H](CN(CC[NH+]1CCCCCC1)C1CCC1)C[NH+]1CCOCC1 ZINC000347463998 285348457 /nfs/dbraw/zinc/34/84/57/285348457.db2.gz BAAXPRLYFZLPHB-IBGZPJMESA-N 2 2 339.524 1.410 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)[NH+]1CCSCC1 ZINC000131395258 533260396 /nfs/dbraw/zinc/26/03/96/533260396.db2.gz HSBBUHALTUIVSK-ZDUSSCGKSA-N 2 2 339.530 1.660 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)[NH+]1CCSCC1 ZINC000131395258 533260400 /nfs/dbraw/zinc/26/04/00/533260400.db2.gz HSBBUHALTUIVSK-ZDUSSCGKSA-N 2 2 339.530 1.660 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000415928823 304285860 /nfs/dbraw/zinc/28/58/60/304285860.db2.gz GBMQXGKDWBBNKF-IAGOWNOFSA-N 2 2 332.448 1.733 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000415928823 304285862 /nfs/dbraw/zinc/28/58/62/304285862.db2.gz GBMQXGKDWBBNKF-IAGOWNOFSA-N 2 2 332.448 1.733 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000571414248 306565083 /nfs/dbraw/zinc/56/50/83/306565083.db2.gz JRPVAOYNCPNOJY-IXDOHACOSA-N 2 2 339.524 1.989 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000416224858 304297746 /nfs/dbraw/zinc/29/77/46/304297746.db2.gz RFJOAWYKDWSMDF-MSOLQXFVSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000416224858 304297748 /nfs/dbraw/zinc/29/77/48/304297748.db2.gz RFJOAWYKDWSMDF-MSOLQXFVSA-N 2 2 333.476 1.906 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cn3ccccc3n2)CC1 ZINC000271847685 140360770 /nfs/dbraw/zinc/36/07/70/140360770.db2.gz VEMXDTRLXDVOAQ-UHFFFAOYSA-N 2 2 330.432 1.842 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000416303695 304307064 /nfs/dbraw/zinc/30/70/64/304307064.db2.gz RVAXZHPYLXCDNO-INIZCTEOSA-N 2 2 333.501 1.987 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000331524519 141043015 /nfs/dbraw/zinc/04/30/15/141043015.db2.gz DDBZJTNNOCUETC-ZWKOTPCHSA-N 2 2 349.450 1.534 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000331524519 141043016 /nfs/dbraw/zinc/04/30/16/141043016.db2.gz DDBZJTNNOCUETC-ZWKOTPCHSA-N 2 2 349.450 1.534 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC3CCC([NH+](C)C)CC3)CC2)cc[nH+]1 ZINC000332528704 141196811 /nfs/dbraw/zinc/19/68/11/141196811.db2.gz GJLXPUCURRDGRS-UHFFFAOYSA-N 2 2 346.479 1.489 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1=CC[N@H+](C)CC1 ZINC000332889662 141243259 /nfs/dbraw/zinc/24/32/59/141243259.db2.gz SYFGSWCFGVVQGS-RHSMWYFYSA-N 2 2 330.432 1.895 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1=CC[N@@H+](C)CC1 ZINC000332889662 141243260 /nfs/dbraw/zinc/24/32/60/141243260.db2.gz SYFGSWCFGVVQGS-RHSMWYFYSA-N 2 2 330.432 1.895 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000333161393 141274071 /nfs/dbraw/zinc/27/40/71/141274071.db2.gz NZHBCMRYQPQRSK-DOMZBBRYSA-N 2 2 333.436 1.346 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333423239 141315610 /nfs/dbraw/zinc/31/56/10/141315610.db2.gz SWJUONHNHXAELQ-MRXNPFEDSA-N 2 2 343.475 1.836 20 0 EDADLP O=C(NC[C@@H]1CCCn2ccnc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333468992 141322318 /nfs/dbraw/zinc/32/23/18/141322318.db2.gz RAONKGUQAGNVNQ-JKSUJKDBSA-N 2 2 347.463 1.267 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333468992 141322319 /nfs/dbraw/zinc/32/23/19/141322319.db2.gz RAONKGUQAGNVNQ-JKSUJKDBSA-N 2 2 347.463 1.267 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C[C@H](C)[N@H+]1C ZINC000333547310 141334818 /nfs/dbraw/zinc/33/48/18/141334818.db2.gz TXLDAIVCBYIQKP-IJEWVQPXSA-N 2 2 349.479 1.622 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000333547310 141334820 /nfs/dbraw/zinc/33/48/20/141334820.db2.gz TXLDAIVCBYIQKP-IJEWVQPXSA-N 2 2 349.479 1.622 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333592286 141341812 /nfs/dbraw/zinc/34/18/12/141341812.db2.gz BCZSTVSMOWEFEG-INIZCTEOSA-N 2 2 336.480 1.025 20 0 EDADLP 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/nfs/dbraw/zinc/04/02/73/142040273.db2.gz PAMGIXHQGNNLKB-RTBURBONSA-N 3 2 344.503 1.903 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000339463067 142052244 /nfs/dbraw/zinc/05/22/44/142052244.db2.gz OLXNXYHLUIPYSD-UHFFFAOYSA-N 2 2 328.501 1.328 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)CO ZINC000339624421 142098705 /nfs/dbraw/zinc/09/87/05/142098705.db2.gz CIRWSOKBHYVCPB-HNNXBMFYSA-N 2 2 335.448 1.160 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)CO ZINC000339624421 142098706 /nfs/dbraw/zinc/09/87/06/142098706.db2.gz CIRWSOKBHYVCPB-HNNXBMFYSA-N 2 2 335.448 1.160 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]1CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000340114654 142269833 /nfs/dbraw/zinc/26/98/33/142269833.db2.gz MQJUETNPMFSLQV-GUDVDZBRSA-N 2 2 345.487 1.564 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000345097855 143049990 /nfs/dbraw/zinc/04/99/90/143049990.db2.gz RPVDYRXOASKZHD-BBWFWOEESA-N 2 2 330.476 1.953 20 0 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ADKJGFAZKJDJDN-KZNAEPCWSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000346698687 143233537 /nfs/dbraw/zinc/23/35/37/143233537.db2.gz ADKJGFAZKJDJDN-KZNAEPCWSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CC[NH+]2Cc2ccccc2)[N@H+](C)C1 ZINC000346698687 143233538 /nfs/dbraw/zinc/23/35/38/143233538.db2.gz ADKJGFAZKJDJDN-KZNAEPCWSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CC[NH+]2Cc2ccccc2)[N@@H+](C)C1 ZINC000346698687 143233539 /nfs/dbraw/zinc/23/35/39/143233539.db2.gz ADKJGFAZKJDJDN-KZNAEPCWSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000346821833 143249053 /nfs/dbraw/zinc/24/90/53/143249053.db2.gz DKEBFIXPORWLKD-KZNAEPCWSA-N 2 2 336.524 1.299 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc(-c2ccsc2)s1 ZINC000347134672 143286386 /nfs/dbraw/zinc/28/63/86/143286386.db2.gz SDLJFURWBIFDLM-UHFFFAOYSA-N 2 2 336.486 1.735 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc(-c2ccsc2)s1 ZINC000347134672 143286387 /nfs/dbraw/zinc/28/63/87/143286387.db2.gz SDLJFURWBIFDLM-UHFFFAOYSA-N 2 2 336.486 1.735 20 0 EDADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCC(F)(F)CC1 ZINC000347597456 143339095 /nfs/dbraw/zinc/33/90/95/143339095.db2.gz JKQSCZHWKHFYCU-UHFFFAOYSA-N 2 2 347.450 1.723 20 0 EDADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCC(F)(F)CC1 ZINC000347597456 143339096 /nfs/dbraw/zinc/33/90/96/143339096.db2.gz JKQSCZHWKHFYCU-UHFFFAOYSA-N 2 2 347.450 1.723 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000347638657 143344194 /nfs/dbraw/zinc/34/41/94/143344194.db2.gz CQGMIEHLHJVIKS-MSOLQXFVSA-N 2 2 333.476 1.386 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000347638657 143344195 /nfs/dbraw/zinc/34/41/95/143344195.db2.gz CQGMIEHLHJVIKS-MSOLQXFVSA-N 2 2 333.476 1.386 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000349782109 143511600 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334.489 1.461 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000353007188 149251384 /nfs/dbraw/zinc/25/13/84/149251384.db2.gz FYYVAAYNROGRJS-WBVHZDCISA-N 2 2 336.480 1.772 20 0 EDADLP Cc1cc(C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)ccc1-n1cncn1 ZINC000353265275 149345171 /nfs/dbraw/zinc/34/51/71/149345171.db2.gz YNUVZZPAJLEDTD-INIZCTEOSA-N 2 2 343.475 1.853 20 0 EDADLP Cc1cc(C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)ccc1-n1cncn1 ZINC000353265275 149345172 /nfs/dbraw/zinc/34/51/72/149345172.db2.gz YNUVZZPAJLEDTD-INIZCTEOSA-N 2 2 343.475 1.853 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353325708 149364960 /nfs/dbraw/zinc/36/49/60/149364960.db2.gz ALTPDRRMAGAJLY-CYBMUJFWSA-N 2 2 344.419 1.043 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353325708 149364963 /nfs/dbraw/zinc/36/49/63/149364963.db2.gz ALTPDRRMAGAJLY-CYBMUJFWSA-N 2 2 344.419 1.043 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[NH2+]CC1 ZINC000416967565 304356923 /nfs/dbraw/zinc/35/69/23/304356923.db2.gz ZOKFISGRLUOBTQ-UHFFFAOYSA-N 2 2 327.432 1.479 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000369934195 155243006 /nfs/dbraw/zinc/24/30/06/155243006.db2.gz HBICLGCWJWGYCN-CVEARBPZSA-N 2 2 334.464 1.891 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000369934195 155243008 /nfs/dbraw/zinc/24/30/08/155243008.db2.gz HBICLGCWJWGYCN-CVEARBPZSA-N 2 2 334.464 1.891 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000355059530 150096481 /nfs/dbraw/zinc/09/64/81/150096481.db2.gz DIZRFKLIXUYFBG-KRWDZBQOSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000355059530 150096484 /nfs/dbraw/zinc/09/64/84/150096484.db2.gz DIZRFKLIXUYFBG-KRWDZBQOSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000355083906 150109457 /nfs/dbraw/zinc/10/94/57/150109457.db2.gz HUDCKQVTZNFTLC-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000355083906 150109459 /nfs/dbraw/zinc/10/94/59/150109459.db2.gz HUDCKQVTZNFTLC-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000355083906 150109462 /nfs/dbraw/zinc/10/94/62/150109462.db2.gz HUDCKQVTZNFTLC-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000355083906 150109465 /nfs/dbraw/zinc/10/94/65/150109465.db2.gz HUDCKQVTZNFTLC-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1CN(C(=O)NCCc2ccco2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355107472 150119407 /nfs/dbraw/zinc/11/94/07/150119407.db2.gz NRTUAHNYIIWSNT-OAHLLOKOSA-N 2 2 334.464 1.632 20 0 EDADLP C[C@@H]1CN(C(=O)NCCc2ccco2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355107472 150119411 /nfs/dbraw/zinc/11/94/11/150119411.db2.gz NRTUAHNYIIWSNT-OAHLLOKOSA-N 2 2 334.464 1.632 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355499988 150293729 /nfs/dbraw/zinc/29/37/29/150293729.db2.gz CLICHXGBAYCULI-WBVHZDCISA-N 3 2 345.491 1.387 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355499988 150293733 /nfs/dbraw/zinc/29/37/33/150293733.db2.gz CLICHXGBAYCULI-WBVHZDCISA-N 3 2 345.491 1.387 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417031934 304362768 /nfs/dbraw/zinc/36/27/68/304362768.db2.gz HDLKVXFSZVXPAE-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417036593 304364100 /nfs/dbraw/zinc/36/41/00/304364100.db2.gz LBFOCUXZVINBKP-RYQLBKOJSA-N 2 2 346.475 1.439 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370014320 155280563 /nfs/dbraw/zinc/28/05/63/155280563.db2.gz YOCMDEHMAKHTDJ-VXGBXAGGSA-N 2 2 330.354 1.936 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370014320 155280565 /nfs/dbraw/zinc/28/05/65/155280565.db2.gz YOCMDEHMAKHTDJ-VXGBXAGGSA-N 2 2 330.354 1.936 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000357381618 151013685 /nfs/dbraw/zinc/01/36/85/151013685.db2.gz UMUKZPBVAZZUPV-OAHLLOKOSA-N 2 2 349.479 1.446 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000357381618 151013687 /nfs/dbraw/zinc/01/36/87/151013687.db2.gz UMUKZPBVAZZUPV-OAHLLOKOSA-N 2 2 349.479 1.446 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649655 151101472 /nfs/dbraw/zinc/10/14/72/151101472.db2.gz ODSSYWBKVOKCLL-CVYDXHPNSA-N 2 2 339.524 1.704 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649655 151101474 /nfs/dbraw/zinc/10/14/74/151101474.db2.gz ODSSYWBKVOKCLL-CVYDXHPNSA-N 2 2 339.524 1.704 20 0 EDADLP Cc1ccc(CNC(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1F ZINC000357654385 151103107 /nfs/dbraw/zinc/10/31/07/151103107.db2.gz ZULQPVUTXMPLKD-UHFFFAOYSA-N 2 2 337.439 1.139 20 0 EDADLP Cc1ccc(CNC(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)cc1F ZINC000357654385 151103109 /nfs/dbraw/zinc/10/31/09/151103109.db2.gz ZULQPVUTXMPLKD-UHFFFAOYSA-N 2 2 337.439 1.139 20 0 EDADLP C[N@H+](C[C@@H](O)COCc1cccs1)C1CC[NH+](CCO)CC1 ZINC000357725270 151127674 /nfs/dbraw/zinc/12/76/74/151127674.db2.gz WDCGLJYGBJRRJM-OAHLLOKOSA-N 2 2 328.478 1.014 20 0 EDADLP C[N@@H+](C[C@@H](O)COCc1cccs1)C1CC[NH+](CCO)CC1 ZINC000357725270 151127677 /nfs/dbraw/zinc/12/76/77/151127677.db2.gz WDCGLJYGBJRRJM-OAHLLOKOSA-N 2 2 328.478 1.014 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@@H+]1CCOC ZINC000357811191 151158016 /nfs/dbraw/zinc/15/80/16/151158016.db2.gz DTAHXLLSPCQMEJ-HZPDHXFCSA-N 2 2 349.479 1.623 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@H+]1CCOC ZINC000357811191 151158019 /nfs/dbraw/zinc/15/80/19/151158019.db2.gz DTAHXLLSPCQMEJ-HZPDHXFCSA-N 2 2 349.479 1.623 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000357831172 151164908 /nfs/dbraw/zinc/16/49/08/151164908.db2.gz OSJOFIRACTYHCO-HOTGVXAUSA-N 2 2 349.479 1.263 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000358134248 151283904 /nfs/dbraw/zinc/28/39/04/151283904.db2.gz ALULFMVUEVKRAF-FZMZJTMJSA-N 2 2 340.265 1.719 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000358134248 151283906 /nfs/dbraw/zinc/28/39/06/151283906.db2.gz ALULFMVUEVKRAF-FZMZJTMJSA-N 2 2 340.265 1.719 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000358173007 151295963 /nfs/dbraw/zinc/29/59/63/151295963.db2.gz UQKGFUVFQSKQJU-HKUYNNGSSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000358173007 151295966 /nfs/dbraw/zinc/29/59/66/151295966.db2.gz UQKGFUVFQSKQJU-HKUYNNGSSA-N 2 2 344.503 1.655 20 0 EDADLP COc1cc2c(c(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)c1)O[C@@H](C)C2 ZINC000352540791 286250479 /nfs/dbraw/zinc/25/04/79/286250479.db2.gz PNEHMVBWCQJIIO-WMLDXEAASA-N 2 2 331.460 1.498 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000370062796 155308447 /nfs/dbraw/zinc/30/84/47/155308447.db2.gz MHFDKQHXYDCNBJ-MRXNPFEDSA-N 2 2 342.443 1.795 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000370062796 155308449 /nfs/dbraw/zinc/30/84/49/155308449.db2.gz MHFDKQHXYDCNBJ-MRXNPFEDSA-N 2 2 342.443 1.795 20 0 EDADLP CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000360355533 152004412 /nfs/dbraw/zinc/00/44/12/152004412.db2.gz PNIFYJKBFOQECH-RBUKOAKNSA-N 2 2 339.524 1.576 20 0 EDADLP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000360355533 152004414 /nfs/dbraw/zinc/00/44/14/152004414.db2.gz PNIFYJKBFOQECH-RBUKOAKNSA-N 2 2 339.524 1.576 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000360562170 152097543 /nfs/dbraw/zinc/09/75/43/152097543.db2.gz LISXIQJWPHQRQV-GOSISDBHSA-N 2 2 330.432 1.637 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000360562170 152097545 /nfs/dbraw/zinc/09/75/45/152097545.db2.gz LISXIQJWPHQRQV-GOSISDBHSA-N 2 2 330.432 1.637 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000360566407 152100232 /nfs/dbraw/zinc/10/02/32/152100232.db2.gz ZDJOHXFZRMJGEY-GOSISDBHSA-N 2 2 330.432 1.637 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000360566407 152100234 /nfs/dbraw/zinc/10/02/34/152100234.db2.gz ZDJOHXFZRMJGEY-GOSISDBHSA-N 2 2 330.432 1.637 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000360788326 152204985 /nfs/dbraw/zinc/20/49/85/152204985.db2.gz QHKMTJXOCZZTFW-HNNXBMFYSA-N 2 2 336.484 1.357 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000360788326 152204986 /nfs/dbraw/zinc/20/49/86/152204986.db2.gz QHKMTJXOCZZTFW-HNNXBMFYSA-N 2 2 336.484 1.357 20 0 EDADLP COCc1ccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)o1 ZINC000361045461 152288072 /nfs/dbraw/zinc/28/80/72/152288072.db2.gz XFJMTCKZYHEOSS-OAHLLOKOSA-N 2 2 332.404 1.440 20 0 EDADLP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)n1 ZINC000361107061 152307758 /nfs/dbraw/zinc/30/77/58/152307758.db2.gz VYDKZCDEFUBZAP-KRWDZBQOSA-N 2 2 333.480 1.128 20 0 EDADLP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)n1 ZINC000361107061 152307760 /nfs/dbraw/zinc/30/77/60/152307760.db2.gz VYDKZCDEFUBZAP-KRWDZBQOSA-N 2 2 333.480 1.128 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cncc(F)c1 ZINC000361121621 152311933 /nfs/dbraw/zinc/31/19/33/152311933.db2.gz VYHYGZLYCDOFBT-CQSZACIVSA-N 2 2 346.406 1.809 20 0 EDADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)o2)cc1 ZINC000361158040 152322702 /nfs/dbraw/zinc/32/27/02/152322702.db2.gz YWYASGAXIADWIY-IBGZPJMESA-N 2 2 344.411 1.889 20 0 EDADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)o2)cc1 ZINC000361158040 152322705 /nfs/dbraw/zinc/32/27/05/152322705.db2.gz YWYASGAXIADWIY-IBGZPJMESA-N 2 2 344.411 1.889 20 0 EDADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C1(C)C ZINC000361238614 152343136 /nfs/dbraw/zinc/34/31/36/152343136.db2.gz VBZKOGQLIBKFOV-QZTJIDSGSA-N 2 2 341.540 1.558 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363676045 153026059 /nfs/dbraw/zinc/02/60/59/153026059.db2.gz VJJPZBOKNBVRIQ-XJKSGUPXSA-N 2 2 329.366 1.917 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363676045 153026060 /nfs/dbraw/zinc/02/60/60/153026060.db2.gz VJJPZBOKNBVRIQ-XJKSGUPXSA-N 2 2 329.366 1.917 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000363681699 153027401 /nfs/dbraw/zinc/02/74/01/153027401.db2.gz DMWQTVVMNXYTMC-JKSUJKDBSA-N 2 2 333.436 1.093 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000363681699 153027403 /nfs/dbraw/zinc/02/74/03/153027403.db2.gz DMWQTVVMNXYTMC-JKSUJKDBSA-N 2 2 333.436 1.093 20 0 EDADLP C[C@@H]([NH2+]Cc1nnc2n1CCOC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364582080 153278392 /nfs/dbraw/zinc/27/83/92/153278392.db2.gz RXZIGHSYEZXCJK-NVXWUHKLSA-N 2 2 341.459 1.809 20 0 EDADLP C[C@@H]([NH2+]Cc1nnc2n1CCOC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364582080 153278393 /nfs/dbraw/zinc/27/83/93/153278393.db2.gz RXZIGHSYEZXCJK-NVXWUHKLSA-N 2 2 341.459 1.809 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2CNC(=O)O2)[C@@H]1c1cnn(C)c1 ZINC000364709706 153311048 /nfs/dbraw/zinc/31/10/48/153311048.db2.gz WIADOKFPUJQXRK-CWRNSKLLSA-N 2 2 335.452 1.233 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2CNC(=O)O2)[C@@H]1c1cnn(C)c1 ZINC000364709706 153311051 /nfs/dbraw/zinc/31/10/51/153311051.db2.gz WIADOKFPUJQXRK-CWRNSKLLSA-N 2 2 335.452 1.233 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H]2CNC(=O)O2)[C@@H]1c1cnn(C)c1 ZINC000364709706 153311056 /nfs/dbraw/zinc/31/10/56/153311056.db2.gz WIADOKFPUJQXRK-CWRNSKLLSA-N 2 2 335.452 1.233 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H]2CNC(=O)O2)[C@@H]1c1cnn(C)c1 ZINC000364709706 153311060 /nfs/dbraw/zinc/31/10/60/153311060.db2.gz WIADOKFPUJQXRK-CWRNSKLLSA-N 2 2 335.452 1.233 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367273130 154062396 /nfs/dbraw/zinc/06/23/96/154062396.db2.gz AJQUMYRFCXONIR-SJLPKXTDSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367273130 154062398 /nfs/dbraw/zinc/06/23/98/154062398.db2.gz AJQUMYRFCXONIR-SJLPKXTDSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367273130 154062399 /nfs/dbraw/zinc/06/23/99/154062399.db2.gz AJQUMYRFCXONIR-SJLPKXTDSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367273130 154062401 /nfs/dbraw/zinc/06/24/01/154062401.db2.gz AJQUMYRFCXONIR-SJLPKXTDSA-N 3 2 334.508 1.099 20 0 EDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc[nH+]cc1-c1cccnc1 ZINC000367364103 154090469 /nfs/dbraw/zinc/09/04/69/154090469.db2.gz XJZYBWQJHLFHGZ-MRXNPFEDSA-N 2 2 328.416 1.273 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000367989046 154356552 /nfs/dbraw/zinc/35/65/52/154356552.db2.gz PANGNYSQEHXTMU-AEFFLSMTSA-N 2 2 331.460 1.660 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000368019217 154371559 /nfs/dbraw/zinc/37/15/59/154371559.db2.gz LVTGENPOUNRGIB-WBVHZDCISA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC000368019217 154371561 /nfs/dbraw/zinc/37/15/61/154371561.db2.gz LVTGENPOUNRGIB-WBVHZDCISA-N 2 2 343.475 1.786 20 0 EDADLP Cc1cccc(NC2CC[NH+](CC(=O)NCc3cccnc3)CC2)[nH+]1 ZINC000369586258 155099078 /nfs/dbraw/zinc/09/90/78/155099078.db2.gz XGEAHEPUUANEKG-UHFFFAOYSA-N 2 2 339.443 1.978 20 0 EDADLP CCc1nc(C[NH+]2C[C@H]3CN(CC[NH+]4CCCCC4)C[C@@H]3C2)no1 ZINC000371730436 156079936 /nfs/dbraw/zinc/07/99/36/156079936.db2.gz UAQTZCKRAHGQCD-HZPDHXFCSA-N 2 2 333.480 1.482 20 0 EDADLP COc1cccc([C@@H](C)[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371860428 156143194 /nfs/dbraw/zinc/14/31/94/156143194.db2.gz BQJJXUFAUNBLIL-VQIMIIECSA-N 2 2 333.476 1.704 20 0 EDADLP COc1cccc([C@@H](C)[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371860428 156143198 /nfs/dbraw/zinc/14/31/98/156143198.db2.gz BQJJXUFAUNBLIL-VQIMIIECSA-N 2 2 333.476 1.704 20 0 EDADLP Cc1ccccc1CCC[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371892686 156153977 /nfs/dbraw/zinc/15/39/77/156153977.db2.gz ZSRCRUMDNITGPT-FQEVSTJZSA-N 2 2 331.504 1.876 20 0 EDADLP Cc1ccccc1CCC[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371892686 156153980 /nfs/dbraw/zinc/15/39/80/156153980.db2.gz ZSRCRUMDNITGPT-FQEVSTJZSA-N 2 2 331.504 1.876 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000372282998 156311572 /nfs/dbraw/zinc/31/15/72/156311572.db2.gz URSSGQQFZOMROU-ZFWWWQNUSA-N 2 2 330.436 1.760 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000372299884 156321677 /nfs/dbraw/zinc/32/16/77/156321677.db2.gz DMSFEKVCXAVJSQ-LJQANCHMSA-N 2 2 349.519 1.822 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000372299884 156321687 /nfs/dbraw/zinc/32/16/87/156321687.db2.gz DMSFEKVCXAVJSQ-LJQANCHMSA-N 2 2 349.519 1.822 20 0 EDADLP C[NH2+]CCC1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000417516693 304402626 /nfs/dbraw/zinc/40/26/26/304402626.db2.gz HKFLISYIQVINGO-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP COc1ncc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000374067263 157128219 /nfs/dbraw/zinc/12/82/19/157128219.db2.gz GKPPXSNZGDRYIF-QGZVFWFLSA-N 2 2 333.480 1.394 20 0 EDADLP COc1ncc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000374067263 157128223 /nfs/dbraw/zinc/12/82/23/157128223.db2.gz GKPPXSNZGDRYIF-QGZVFWFLSA-N 2 2 333.480 1.394 20 0 EDADLP COc1ncc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000374067263 157128225 /nfs/dbraw/zinc/12/82/25/157128225.db2.gz GKPPXSNZGDRYIF-QGZVFWFLSA-N 2 2 333.480 1.394 20 0 EDADLP COc1ncc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000374067263 157128226 /nfs/dbraw/zinc/12/82/26/157128226.db2.gz GKPPXSNZGDRYIF-QGZVFWFLSA-N 2 2 333.480 1.394 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccncc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374257729 157216345 /nfs/dbraw/zinc/21/63/45/157216345.db2.gz FOTIJAISRRMEPG-OAHLLOKOSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccncc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374257729 157216352 /nfs/dbraw/zinc/21/63/52/157216352.db2.gz FOTIJAISRRMEPG-OAHLLOKOSA-N 2 2 331.464 1.392 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccn(C)n3)CC2)CC1 ZINC000374260108 157218107 /nfs/dbraw/zinc/21/81/07/157218107.db2.gz SQMLMEVKOFCMTJ-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP CCO[C@@H]1C[C@H]1C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000376681482 157815739 /nfs/dbraw/zinc/81/57/39/157815739.db2.gz RELWUBLHTFHXEH-OAGGEKHMSA-N 2 2 346.475 1.799 20 0 EDADLP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000377862618 158013166 /nfs/dbraw/zinc/01/31/66/158013166.db2.gz YMVPEASRNYMHER-CQSZACIVSA-N 2 2 336.436 1.150 20 0 EDADLP COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000377862618 158013168 /nfs/dbraw/zinc/01/31/68/158013168.db2.gz YMVPEASRNYMHER-CQSZACIVSA-N 2 2 336.436 1.150 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)C[C@H]1C ZINC000377968001 158042741 /nfs/dbraw/zinc/04/27/41/158042741.db2.gz XKLWGLVKDVGJJL-MRXNPFEDSA-N 2 2 345.487 1.265 20 0 EDADLP COCC[N@H+]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)C[C@H]1C ZINC000377968001 158042743 /nfs/dbraw/zinc/04/27/43/158042743.db2.gz XKLWGLVKDVGJJL-MRXNPFEDSA-N 2 2 345.487 1.265 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)CC[N@@H+]1C ZINC000378181877 158102625 /nfs/dbraw/zinc/10/26/25/158102625.db2.gz FMQXMVMILQXKLY-UTUOFQBUSA-N 2 2 331.386 1.975 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)CC[N@H+]1C ZINC000378181877 158102626 /nfs/dbraw/zinc/10/26/26/158102626.db2.gz FMQXMVMILQXKLY-UTUOFQBUSA-N 2 2 331.386 1.975 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)nc[nH+]1 ZINC000378203391 158107740 /nfs/dbraw/zinc/10/77/40/158107740.db2.gz QFJZGJQWISXEKJ-XIRDDKMYSA-N 2 2 343.475 1.791 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCSC1 ZINC000378276093 158127063 /nfs/dbraw/zinc/12/70/63/158127063.db2.gz IULJMBXQIIVRIP-KRWDZBQOSA-N 2 2 334.489 1.558 20 0 EDADLP COCCc1nsc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000378358020 158151095 /nfs/dbraw/zinc/15/10/95/158151095.db2.gz DUZUVKMVVFBWAE-ZDUSSCGKSA-N 2 2 339.509 1.332 20 0 EDADLP COCCc1nsc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000378358020 158151096 /nfs/dbraw/zinc/15/10/96/158151096.db2.gz DUZUVKMVVFBWAE-ZDUSSCGKSA-N 2 2 339.509 1.332 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000378451239 158177761 /nfs/dbraw/zinc/17/77/61/158177761.db2.gz DNVKOBPAICRHRR-RYQLBKOJSA-N 2 2 339.524 1.432 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000378451239 158177763 /nfs/dbraw/zinc/17/77/63/158177763.db2.gz DNVKOBPAICRHRR-RYQLBKOJSA-N 2 2 339.524 1.432 20 0 EDADLP [NH3+]CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417927348 304432700 /nfs/dbraw/zinc/43/27/00/304432700.db2.gz PWHZTXOXESOVOB-QGZVFWFLSA-N 2 2 339.443 1.831 20 0 EDADLP CCCN(CCC)C(=O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352235385 162066024 /nfs/dbraw/zinc/06/60/24/162066024.db2.gz VFIUIIIROHAEGX-UHFFFAOYSA-N 2 2 348.495 1.313 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000352247773 162071190 /nfs/dbraw/zinc/07/11/90/162071190.db2.gz QACHCIZLWXYNGF-UHFFFAOYSA-N 2 2 336.461 1.634 20 0 EDADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCOC1 ZINC000352433168 162178553 /nfs/dbraw/zinc/17/85/53/162178553.db2.gz XVTFWOWYYYHKOW-KRWDZBQOSA-N 2 2 338.496 1.365 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352495223 162210621 /nfs/dbraw/zinc/21/06/21/162210621.db2.gz JQTMOZCOOPZMFC-ZBFHGGJFSA-N 2 2 332.448 1.002 20 0 EDADLP Fc1ccc(OCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000352503114 162216212 /nfs/dbraw/zinc/21/62/12/162216212.db2.gz BVXPOQLESLQFME-AWEZNQCLSA-N 2 2 327.831 1.837 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000363028042 162311208 /nfs/dbraw/zinc/31/12/08/162311208.db2.gz LFRSJEKHOGODBC-INIZCTEOSA-N 2 2 332.448 1.089 20 0 EDADLP CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364231500 162322095 /nfs/dbraw/zinc/32/20/95/162322095.db2.gz MFLOAXXMQOSHPN-QGZVFWFLSA-N 2 2 330.476 1.997 20 0 EDADLP CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364231500 162322097 /nfs/dbraw/zinc/32/20/97/162322097.db2.gz MFLOAXXMQOSHPN-QGZVFWFLSA-N 2 2 330.476 1.997 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1cn2ccccc2[nH+]1 ZINC000366433142 162381591 /nfs/dbraw/zinc/38/15/91/162381591.db2.gz CGTANWWATWKNGL-BRWVUGGUSA-N 2 2 342.443 1.587 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000418035611 304449533 /nfs/dbraw/zinc/44/95/33/304449533.db2.gz AQOKUCKGKBGJTL-MRXNPFEDSA-N 2 2 327.432 1.759 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000424332070 287057306 /nfs/dbraw/zinc/05/73/06/287057306.db2.gz KQQCBRDYDOUCAM-FVQBIDKESA-N 2 2 347.459 1.365 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000364296948 287215846 /nfs/dbraw/zinc/21/58/46/287215846.db2.gz QOQPAFYUQKAYIT-GVDBMIGSSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000364296948 287215847 /nfs/dbraw/zinc/21/58/47/287215847.db2.gz QOQPAFYUQKAYIT-GVDBMIGSSA-N 2 2 338.496 1.365 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000073666750 287262802 /nfs/dbraw/zinc/26/28/02/287262802.db2.gz UGRXNZSOLNRKAI-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CN(CC1CC1)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005836 287310078 /nfs/dbraw/zinc/31/00/78/287310078.db2.gz USYAILSDUOEERU-UHFFFAOYSA-N 2 2 344.503 1.889 20 0 EDADLP CN(CC1CC1)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005836 287310080 /nfs/dbraw/zinc/31/00/80/287310080.db2.gz USYAILSDUOEERU-UHFFFAOYSA-N 2 2 344.503 1.889 20 0 EDADLP COc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncn1 ZINC000122281978 222051603 /nfs/dbraw/zinc/05/16/03/222051603.db2.gz LQMVZSRJNGOALF-UHFFFAOYSA-N 2 2 348.451 1.165 20 0 EDADLP CO[C@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122723794 222144578 /nfs/dbraw/zinc/14/45/78/222144578.db2.gz AKSBNKVCBYGDSC-IRXDYDNUSA-N 2 2 338.496 1.412 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000136237047 287577977 /nfs/dbraw/zinc/57/79/77/287577977.db2.gz VAOMIOYUPQXJPA-JFDDCEBESA-N 2 2 334.464 1.779 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000418503309 304504425 /nfs/dbraw/zinc/50/44/25/304504425.db2.gz XNIWVNUQKLKZNJ-HNNXBMFYSA-N 2 2 346.479 1.477 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)cc1F ZINC000237298364 273008955 /nfs/dbraw/zinc/00/89/55/273008955.db2.gz QZRJSDUQEFQUNB-UHFFFAOYSA-N 2 2 349.450 1.998 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262791055 273018024 /nfs/dbraw/zinc/01/80/24/273018024.db2.gz NFWOHWUTMAWIEP-HRCADAONSA-N 2 2 348.466 1.545 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000274719044 268190654 /nfs/dbraw/zinc/19/06/54/268190654.db2.gz UGLUISYHRLQYFC-UONOGXRCSA-N 2 2 348.495 1.770 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000274719044 268190656 /nfs/dbraw/zinc/19/06/56/268190656.db2.gz UGLUISYHRLQYFC-UONOGXRCSA-N 2 2 348.495 1.770 20 0 EDADLP CN1CCN(c2cc(NCC3(C[NH+](C)C)CCCC3)[nH+]cn2)CC1=O ZINC000274805975 268210619 /nfs/dbraw/zinc/21/06/19/268210619.db2.gz WRBFOWYYSAQPEA-UHFFFAOYSA-N 2 2 346.479 1.289 20 0 EDADLP CN1CCN(c2cc(NCC3(C[NH+](C)C)CCCC3)nc[nH+]2)CC1=O ZINC000274805975 268210621 /nfs/dbraw/zinc/21/06/21/268210621.db2.gz WRBFOWYYSAQPEA-UHFFFAOYSA-N 2 2 346.479 1.289 20 0 EDADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000273152644 273030072 /nfs/dbraw/zinc/03/00/72/273030072.db2.gz IDACSFNHVLTMKZ-QUCCMNQESA-N 2 2 347.503 1.415 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000278840808 268747393 /nfs/dbraw/zinc/74/73/93/268747393.db2.gz KLGMASFWEWTLAP-KRWDZBQOSA-N 2 2 333.476 1.825 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274208302 273078162 /nfs/dbraw/zinc/07/81/62/273078162.db2.gz VXXFSIFRHGLUBZ-IBGZPJMESA-N 2 2 329.444 1.344 20 0 EDADLP CCOc1c(OC)cc(C[NH2+]CC[N@H+](CC)CCO)cc1OC ZINC000274414857 273088516 /nfs/dbraw/zinc/08/85/16/273088516.db2.gz PHMSADGTBFLVHF-UHFFFAOYSA-N 2 2 326.437 1.506 20 0 EDADLP CCOc1c(OC)cc(C[NH2+]CC[N@@H+](CC)CCO)cc1OC ZINC000274414857 273088517 /nfs/dbraw/zinc/08/85/17/273088517.db2.gz PHMSADGTBFLVHF-UHFFFAOYSA-N 2 2 326.437 1.506 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CCc4[nH+]ccn4C3)cn21 ZINC000275714092 273121243 /nfs/dbraw/zinc/12/12/43/273121243.db2.gz VMRFUYLQVLLCRL-CQSZACIVSA-N 2 2 338.415 1.901 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1cnsn1)[C@H]1CC12CC[NH2+]CC2 ZINC000275845028 273131202 /nfs/dbraw/zinc/13/12/02/273131202.db2.gz XZQUNUJDSBSESH-LBPRGKRZSA-N 2 2 332.433 1.056 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000276028277 273142927 /nfs/dbraw/zinc/14/29/27/273142927.db2.gz CTXDILZFMVKPEU-UHFFFAOYSA-N 2 2 342.443 1.762 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278902574 273269268 /nfs/dbraw/zinc/26/92/68/273269268.db2.gz PNIXJQNWHNCBPJ-UHFFFAOYSA-N 2 2 333.436 1.245 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279833046 273331664 /nfs/dbraw/zinc/33/16/64/273331664.db2.gz ZCCUXSAODQROHQ-IBGZPJMESA-N 2 2 343.471 1.762 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279833046 273331665 /nfs/dbraw/zinc/33/16/65/273331665.db2.gz ZCCUXSAODQROHQ-IBGZPJMESA-N 2 2 343.471 1.762 20 0 EDADLP [NH3+]CC[C@@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000282066323 273580456 /nfs/dbraw/zinc/58/04/56/273580456.db2.gz WKFBWHARSWPEFZ-INIZCTEOSA-N 2 2 331.460 1.720 20 0 EDADLP C[C@H](CO)[N@H+](C[C@H](C)O)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283915908 274009639 /nfs/dbraw/zinc/00/96/39/274009639.db2.gz CBGXMGFEHDMQLU-ZIFCJYIRSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](CO)[N@@H+](C[C@H](C)O)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283915908 274009640 /nfs/dbraw/zinc/00/96/40/274009640.db2.gz CBGXMGFEHDMQLU-ZIFCJYIRSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](CO)[NH+](C[C@H](C)O)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283915908 274009642 /nfs/dbraw/zinc/00/96/42/274009642.db2.gz CBGXMGFEHDMQLU-ZIFCJYIRSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](CO)[NH+](C[C@H](C)O)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283915908 274009644 /nfs/dbraw/zinc/00/96/44/274009644.db2.gz CBGXMGFEHDMQLU-ZIFCJYIRSA-N 2 2 336.476 1.341 20 0 EDADLP NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284174822 274105696 /nfs/dbraw/zinc/10/56/96/274105696.db2.gz QYOZGUGJVIVIRZ-OTWHNJEPSA-N 2 2 345.487 1.911 20 0 EDADLP NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284174822 274105697 /nfs/dbraw/zinc/10/56/97/274105697.db2.gz QYOZGUGJVIVIRZ-OTWHNJEPSA-N 2 2 345.487 1.911 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)CC2)CC1 ZINC000422020627 276149484 /nfs/dbraw/zinc/14/94/84/276149484.db2.gz MQCOBDHTVMABJI-KSZLIROESA-N 2 2 335.492 1.430 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)CC2)CC1 ZINC000422020627 276149485 /nfs/dbraw/zinc/14/94/85/276149485.db2.gz MQCOBDHTVMABJI-KSZLIROESA-N 2 2 335.492 1.430 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)c1ccc(F)cc1 ZINC000342737530 276777978 /nfs/dbraw/zinc/77/79/78/276777978.db2.gz NCMOZLWKASFLPJ-KBPBESRZSA-N 2 2 329.366 1.789 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000361923318 277065887 /nfs/dbraw/zinc/06/58/87/277065887.db2.gz BRORLQAYLNGIAX-HZPDHXFCSA-N 2 2 325.416 1.966 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000361923318 277065888 /nfs/dbraw/zinc/06/58/88/277065888.db2.gz BRORLQAYLNGIAX-HZPDHXFCSA-N 2 2 325.416 1.966 20 0 EDADLP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422712115 277173539 /nfs/dbraw/zinc/17/35/39/277173539.db2.gz GKCIGFOFUQGFMW-KGLIPLIRSA-N 2 2 325.478 1.733 20 0 EDADLP CON(CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376707858 277273475 /nfs/dbraw/zinc/27/34/75/277273475.db2.gz WZLUKNJQSVSRCI-AWEZNQCLSA-N 2 2 326.485 1.774 20 0 EDADLP CON(CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376707858 277273476 /nfs/dbraw/zinc/27/34/76/277273476.db2.gz WZLUKNJQSVSRCI-AWEZNQCLSA-N 2 2 326.485 1.774 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[NH+]1C ZINC000643886695 452793594 /nfs/dbraw/zinc/79/35/94/452793594.db2.gz NKUQICWSXFIEOC-DGCLKSJQSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1SCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000369505785 278071591 /nfs/dbraw/zinc/07/15/91/278071591.db2.gz APBSJESGVMXQJT-KKUMJFAQSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]1SCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000369505785 278071593 /nfs/dbraw/zinc/07/15/93/278071593.db2.gz APBSJESGVMXQJT-KKUMJFAQSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1-n1cccn1 ZINC000177602701 278337899 /nfs/dbraw/zinc/33/78/99/278337899.db2.gz AAOOEAKOXASEFA-OAHLLOKOSA-N 2 2 327.432 1.297 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343723479 278476763 /nfs/dbraw/zinc/47/67/63/278476763.db2.gz VDNOJLQRSGIBKW-WMLDXEAASA-N 2 2 336.480 1.118 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000286625294 288049235 /nfs/dbraw/zinc/04/92/35/288049235.db2.gz ZEOJHSRRTSPGAF-LSDHHAIUSA-N 2 2 349.479 1.413 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000347828834 278603440 /nfs/dbraw/zinc/60/34/40/278603440.db2.gz QAEDHTWGCFTYNO-YJBOKZPZSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)ccc2[nH+]1 ZINC000286842778 288102145 /nfs/dbraw/zinc/10/21/45/288102145.db2.gz ALIYVKRKSYYIKY-GDBMZVCRSA-N 2 2 343.431 1.970 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247006516 279210839 /nfs/dbraw/zinc/21/08/39/279210839.db2.gz UACHAGYRBRQWCD-XDNAFOTISA-N 2 2 337.508 1.534 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247006516 279210842 /nfs/dbraw/zinc/21/08/42/279210842.db2.gz UACHAGYRBRQWCD-XDNAFOTISA-N 2 2 337.508 1.534 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000286982648 288130140 /nfs/dbraw/zinc/13/01/40/288130140.db2.gz BBYNFLBWVYNGHG-KFWWJZLASA-N 2 2 347.463 1.452 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)[nH+]c2c1 ZINC000287196154 288177936 /nfs/dbraw/zinc/17/79/36/288177936.db2.gz OJVHFKGLOCIUAI-GJZGRUSLSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)[nH+]c2c1 ZINC000287196154 288177938 /nfs/dbraw/zinc/17/79/38/288177938.db2.gz OJVHFKGLOCIUAI-GJZGRUSLSA-N 2 2 345.447 1.239 20 0 EDADLP CC[C@@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000162198952 280082846 /nfs/dbraw/zinc/08/28/46/280082846.db2.gz PUUOMHVAXNAZMU-INIZCTEOSA-N 2 2 332.448 1.353 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287295108 288202934 /nfs/dbraw/zinc/20/29/34/288202934.db2.gz MHSJLDVSQXLOKK-KRWDZBQOSA-N 2 2 326.868 1.632 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287295108 288202938 /nfs/dbraw/zinc/20/29/38/288202938.db2.gz MHSJLDVSQXLOKK-KRWDZBQOSA-N 2 2 326.868 1.632 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000362668894 280160586 /nfs/dbraw/zinc/16/05/86/280160586.db2.gz IRPJXTGPUGGBKW-HSFUPAIVSA-N 2 2 337.508 1.815 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000362668894 280160590 /nfs/dbraw/zinc/16/05/90/280160590.db2.gz IRPJXTGPUGGBKW-HSFUPAIVSA-N 2 2 337.508 1.815 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCSCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000352395310 280171122 /nfs/dbraw/zinc/17/11/22/280171122.db2.gz FUZADVUCDIKRAC-BZUAXINKSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000246342958 280247858 /nfs/dbraw/zinc/24/78/58/280247858.db2.gz CGPSPLDQVNLZAU-IKGGRYGDSA-N 2 2 340.512 1.515 20 0 EDADLP CC(C)[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000344889225 280304722 /nfs/dbraw/zinc/30/47/22/280304722.db2.gz LNOATWZWOYUQKA-ZDUSSCGKSA-N 2 2 338.418 1.899 20 0 EDADLP C[C@@H](Oc1ccc(C=O)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000287387439 288226581 /nfs/dbraw/zinc/22/65/81/288226581.db2.gz INIWTCPBDMVTRC-OAHLLOKOSA-N 2 2 347.459 1.409 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000287594392 288273232 /nfs/dbraw/zinc/27/32/32/288273232.db2.gz ZVTFPCUAZIFFDR-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000287594392 288273234 /nfs/dbraw/zinc/27/32/34/288273234.db2.gz ZVTFPCUAZIFFDR-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000287594392 288273236 /nfs/dbraw/zinc/27/32/36/288273236.db2.gz ZVTFPCUAZIFFDR-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000287594392 288273238 /nfs/dbraw/zinc/27/32/38/288273238.db2.gz ZVTFPCUAZIFFDR-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000290100879 288839134 /nfs/dbraw/zinc/83/91/34/288839134.db2.gz HYNMLYFERWDUOB-OALUTQOASA-N 2 2 345.487 1.844 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291782402 289179053 /nfs/dbraw/zinc/17/90/53/289179053.db2.gz JPWLVLHWGDLRJD-OAHLLOKOSA-N 2 2 327.432 1.929 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291782402 289179055 /nfs/dbraw/zinc/17/90/55/289179055.db2.gz JPWLVLHWGDLRJD-OAHLLOKOSA-N 2 2 327.432 1.929 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292133300 289268980 /nfs/dbraw/zinc/26/89/80/289268980.db2.gz LLUUDPWWVTZVSX-LJQANCHMSA-N 2 2 331.460 1.477 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292133300 289268984 /nfs/dbraw/zinc/26/89/84/289268984.db2.gz LLUUDPWWVTZVSX-LJQANCHMSA-N 2 2 331.460 1.477 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292133300 289268987 /nfs/dbraw/zinc/26/89/87/289268987.db2.gz LLUUDPWWVTZVSX-LJQANCHMSA-N 2 2 331.460 1.477 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292133300 289268991 /nfs/dbraw/zinc/26/89/91/289268991.db2.gz LLUUDPWWVTZVSX-LJQANCHMSA-N 2 2 331.460 1.477 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173590559 289330940 /nfs/dbraw/zinc/33/09/40/289330940.db2.gz SVHDHWCUPSHMGN-HUUCEWRRSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173590559 289330945 /nfs/dbraw/zinc/33/09/45/289330945.db2.gz SVHDHWCUPSHMGN-HUUCEWRRSA-N 2 2 338.496 1.807 20 0 EDADLP CN(C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CCCCC1 ZINC000371295962 289332078 /nfs/dbraw/zinc/33/20/78/289332078.db2.gz WAVHLHYMYFTBSA-FGTMMUONSA-N 2 2 337.508 1.961 20 0 EDADLP CN(C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CCCCC1 ZINC000371295962 289332083 /nfs/dbraw/zinc/33/20/83/289332083.db2.gz WAVHLHYMYFTBSA-FGTMMUONSA-N 2 2 337.508 1.961 20 0 EDADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292394936 289335147 /nfs/dbraw/zinc/33/51/47/289335147.db2.gz ZZSIWMUUNJVFDF-MRXNPFEDSA-N 2 2 334.445 1.338 20 0 EDADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292394936 289335150 /nfs/dbraw/zinc/33/51/50/289335150.db2.gz ZZSIWMUUNJVFDF-MRXNPFEDSA-N 2 2 334.445 1.338 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343986496 289347377 /nfs/dbraw/zinc/34/73/77/289347377.db2.gz QOMDBBWCPVFLAI-NUJGCVRESA-N 2 2 336.524 1.392 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343986496 289347381 /nfs/dbraw/zinc/34/73/81/289347381.db2.gz QOMDBBWCPVFLAI-NUJGCVRESA-N 2 2 336.524 1.392 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)O1 ZINC000156260486 297016594 /nfs/dbraw/zinc/01/65/94/297016594.db2.gz YJECHZGTADKNGB-VQHPVUNQSA-N 2 2 346.475 1.546 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](CC[NH3+])C(F)F)c1C ZINC000418701797 294896874 /nfs/dbraw/zinc/89/68/74/294896874.db2.gz DDNSMCMNQFCLGS-LLVKDONJSA-N 2 2 330.379 1.831 20 0 EDADLP [NH3+][C@H]1C[C@@H](NCC2([NH+]3CCOCC3)CCOCC2)c2ccccc21 ZINC000333290358 295343195 /nfs/dbraw/zinc/34/31/95/295343195.db2.gz OMTIGUUNTKLDME-ZWKOTPCHSA-N 2 2 331.460 1.602 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)CC[NH3+])CC2)cc1 ZINC000418528121 304508685 /nfs/dbraw/zinc/50/86/85/304508685.db2.gz OWTRUQRSSVDGPY-HNNXBMFYSA-N 2 2 334.464 1.650 20 0 EDADLP C[C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000121929659 298161919 /nfs/dbraw/zinc/16/19/19/298161919.db2.gz KSNIPCMDVBDXRQ-RHSMWYFYSA-N 2 2 336.455 1.181 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000660194168 453124990 /nfs/dbraw/zinc/12/49/90/453124990.db2.gz FQEMALUXFVCITH-GDBMZVCRSA-N 2 2 343.493 1.076 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000660194168 453125013 /nfs/dbraw/zinc/12/50/13/453125013.db2.gz FQEMALUXFVCITH-GDBMZVCRSA-N 2 2 343.493 1.076 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCCS3)CC2)CC1 ZINC000422021473 447312073 /nfs/dbraw/zinc/31/20/73/447312073.db2.gz NPHSKTXGUFURAR-MRXNPFEDSA-N 2 2 325.522 1.901 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCCS3)CC2)CC1 ZINC000422021473 447312077 /nfs/dbraw/zinc/31/20/77/447312077.db2.gz NPHSKTXGUFURAR-MRXNPFEDSA-N 2 2 325.522 1.901 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419941422 304715019 /nfs/dbraw/zinc/71/50/19/304715019.db2.gz WQVSTTJVWLZKER-CABCVRRESA-N 2 2 347.463 1.215 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000420364538 304752213 /nfs/dbraw/zinc/75/22/13/304752213.db2.gz CYSZFBDKXNTCRK-OALUTQOASA-N 2 2 344.434 1.274 20 0 EDADLP CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653075197 453254418 /nfs/dbraw/zinc/25/44/18/453254418.db2.gz IUXVVIKEOPHASA-HNNXBMFYSA-N 2 2 327.856 1.846 20 0 EDADLP Cc1ccc([C@H](C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)N2CCOCC2)o1 ZINC000422796712 301800324 /nfs/dbraw/zinc/80/03/24/301800324.db2.gz KGVDPGNENZDNOA-PVAVHDDUSA-N 2 2 337.464 1.318 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)NC(=O)NC(C)(C)C)[nH+]1 ZINC000377724847 447318595 /nfs/dbraw/zinc/31/85/95/447318595.db2.gz UUJJIOYJRQFADH-CQSZACIVSA-N 2 2 347.463 1.891 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NC(=O)NC(C)(C)C)[nH+]1 ZINC000377724847 447318601 /nfs/dbraw/zinc/31/86/01/447318601.db2.gz UUJJIOYJRQFADH-CQSZACIVSA-N 2 2 347.463 1.891 20 0 EDADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473766 453333479 /nfs/dbraw/zinc/33/34/79/453333479.db2.gz UWNGKFBVRGLVFG-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473766 453333485 /nfs/dbraw/zinc/33/34/85/453333485.db2.gz UWNGKFBVRGLVFG-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000294372599 303098580 /nfs/dbraw/zinc/09/85/80/303098580.db2.gz ZVIQJVGLHLAGHH-AWEZNQCLSA-N 2 2 343.435 1.240 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295045063 303166448 /nfs/dbraw/zinc/16/64/48/303166448.db2.gz FDWDCKPZBSFFNX-DOTOQJQBSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000295045063 303166450 /nfs/dbraw/zinc/16/64/50/303166450.db2.gz FDWDCKPZBSFFNX-DOTOQJQBSA-N 2 2 349.475 1.849 20 0 EDADLP C[C@H](C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(F)cc(F)c1 ZINC000295268534 303197172 /nfs/dbraw/zinc/19/71/72/303197172.db2.gz VKFAQCPSYLPTAZ-MLGOLLRUSA-N 2 2 325.403 1.998 20 0 EDADLP C[C@H](C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(F)cc(F)c1 ZINC000295268534 303197173 /nfs/dbraw/zinc/19/71/73/303197173.db2.gz VKFAQCPSYLPTAZ-MLGOLLRUSA-N 2 2 325.403 1.998 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H](C)[NH2+]C3CC3)CC2)cc(OC)c1 ZINC000295308955 303202783 /nfs/dbraw/zinc/20/27/83/303202783.db2.gz YHKNWKQIDRFIJH-CQSZACIVSA-N 2 2 347.459 1.489 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000296672096 303329911 /nfs/dbraw/zinc/32/99/11/303329911.db2.gz FZBAPEUHXCFEKK-HOCLYGCPSA-N 2 2 337.489 1.640 20 0 EDADLP CC(C)(CNC(=O)C[NH2+][C@H]1CCc2c1cccc2O)[NH+]1CCOCC1 ZINC000296743379 303335287 /nfs/dbraw/zinc/33/52/87/303335287.db2.gz OLXIRKPTPOPUNR-INIZCTEOSA-N 2 2 347.459 1.196 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cn2cc[nH+]c12 ZINC000296976898 303350907 /nfs/dbraw/zinc/35/09/07/303350907.db2.gz NRRLNSJZHKAGQA-OAHLLOKOSA-N 2 2 343.431 1.829 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000362503538 303832516 /nfs/dbraw/zinc/83/25/16/303832516.db2.gz XYABEZHPKAMXOP-QGZVFWFLSA-N 2 2 346.475 1.028 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000423110385 304886629 /nfs/dbraw/zinc/88/66/29/304886629.db2.gz HTGGHDCFNOJINR-IXDOHACOSA-N 2 2 347.459 1.023 20 0 EDADLP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423228943 304890035 /nfs/dbraw/zinc/89/00/35/304890035.db2.gz GAJDFPPSWKJMOQ-CQSZACIVSA-N 3 2 326.448 1.826 20 0 EDADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423532662 304898047 /nfs/dbraw/zinc/89/80/47/304898047.db2.gz VPRRDCAERYHMDP-QGZVFWFLSA-N 3 2 344.503 1.627 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CCN1C ZINC000423881670 304913187 /nfs/dbraw/zinc/91/31/87/304913187.db2.gz WNZUUINLQTVGQQ-PMPSAXMXSA-N 2 2 333.480 1.533 20 0 EDADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000423888147 304913549 /nfs/dbraw/zinc/91/35/49/304913549.db2.gz HFVVZEDQMYPTDB-JKSUJKDBSA-N 2 2 342.418 1.711 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCCCOc1ccccc1F ZINC000428027754 305004240 /nfs/dbraw/zinc/00/42/40/305004240.db2.gz BMNBTBKMASFIIF-GOEBONIOSA-N 2 2 335.423 1.395 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCCCOc1ccccc1F ZINC000428027754 305004241 /nfs/dbraw/zinc/00/42/41/305004241.db2.gz BMNBTBKMASFIIF-GOEBONIOSA-N 2 2 335.423 1.395 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428032035 305004492 /nfs/dbraw/zinc/00/44/92/305004492.db2.gz MPHIMTXUQLJXMQ-KBMXLJTQSA-N 2 2 330.432 1.085 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428032035 305004493 /nfs/dbraw/zinc/00/44/93/305004493.db2.gz MPHIMTXUQLJXMQ-KBMXLJTQSA-N 2 2 330.432 1.085 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428038434 305004872 /nfs/dbraw/zinc/00/48/72/305004872.db2.gz NUCNDTUEENDQLW-FUHWJXTLSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428038434 305004873 /nfs/dbraw/zinc/00/48/73/305004873.db2.gz NUCNDTUEENDQLW-FUHWJXTLSA-N 2 2 331.460 1.564 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CCO1 ZINC000428059568 305006334 /nfs/dbraw/zinc/00/63/34/305006334.db2.gz NOMRUTOEPUCDEB-QZTJIDSGSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CCO1 ZINC000428059568 305006335 /nfs/dbraw/zinc/00/63/35/305006335.db2.gz NOMRUTOEPUCDEB-QZTJIDSGSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCO1 ZINC000428059568 305006336 /nfs/dbraw/zinc/00/63/36/305006336.db2.gz NOMRUTOEPUCDEB-QZTJIDSGSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCO1 ZINC000428059568 305006337 /nfs/dbraw/zinc/00/63/37/305006337.db2.gz NOMRUTOEPUCDEB-QZTJIDSGSA-N 2 2 333.476 1.906 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@@H+]1CCO ZINC000428533758 305010935 /nfs/dbraw/zinc/01/09/35/305010935.db2.gz NZQYFOAGTHOUDY-XJKSGUPXSA-N 2 2 339.867 1.468 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@H+]1CCO ZINC000428533758 305010936 /nfs/dbraw/zinc/01/09/36/305010936.db2.gz NZQYFOAGTHOUDY-XJKSGUPXSA-N 2 2 339.867 1.468 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430599271 305057908 /nfs/dbraw/zinc/05/79/08/305057908.db2.gz GBEIWQOHHKDEQA-STQMWFEESA-N 2 2 325.403 1.683 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430599271 305057909 /nfs/dbraw/zinc/05/79/09/305057909.db2.gz GBEIWQOHHKDEQA-STQMWFEESA-N 2 2 325.403 1.683 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000430599402 305057973 /nfs/dbraw/zinc/05/79/73/305057973.db2.gz ATIJLIMANWOADV-GJZGRUSLSA-N 2 2 349.475 1.812 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000430599402 305057974 /nfs/dbraw/zinc/05/79/74/305057974.db2.gz ATIJLIMANWOADV-GJZGRUSLSA-N 2 2 349.475 1.812 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430631991 305060481 /nfs/dbraw/zinc/06/04/81/305060481.db2.gz WDZPNIWITYWYIF-GOSISDBHSA-N 3 2 330.476 1.002 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430631991 305060482 /nfs/dbraw/zinc/06/04/82/305060482.db2.gz WDZPNIWITYWYIF-GOSISDBHSA-N 3 2 330.476 1.002 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000430653349 305061412 /nfs/dbraw/zinc/06/14/12/305061412.db2.gz YXTKESBZDTVBST-STQMWFEESA-N 2 2 336.411 1.794 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000430653349 305061413 /nfs/dbraw/zinc/06/14/13/305061413.db2.gz YXTKESBZDTVBST-STQMWFEESA-N 2 2 336.411 1.794 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000430758568 305064244 /nfs/dbraw/zinc/06/42/44/305064244.db2.gz CRPHDWLYJPJOPX-CPUCHLNUSA-N 2 2 349.475 1.699 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000430921304 305068052 /nfs/dbraw/zinc/06/80/52/305068052.db2.gz SOZPQVLFXIRBBI-CQSZACIVSA-N 2 2 342.443 1.565 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C23CCCC3)C1 ZINC000430921304 305068053 /nfs/dbraw/zinc/06/80/53/305068053.db2.gz SOZPQVLFXIRBBI-CQSZACIVSA-N 2 2 342.443 1.565 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)C2=O)c1 ZINC000430921002 305068074 /nfs/dbraw/zinc/06/80/74/305068074.db2.gz WXFVTJYJWWJFDR-VUCTXSBTSA-N 2 2 333.432 1.478 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)C2=O)c1 ZINC000430921002 305068075 /nfs/dbraw/zinc/06/80/75/305068075.db2.gz WXFVTJYJWWJFDR-VUCTXSBTSA-N 2 2 333.432 1.478 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])C3)cs2)c1C ZINC000430958066 305070929 /nfs/dbraw/zinc/07/09/29/305070929.db2.gz RGUYCOLVYQSNAN-GFCCVEGCSA-N 2 2 333.461 1.301 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CC[C@H](C[NH3+])C3)cs2)c1C ZINC000430958066 305070930 /nfs/dbraw/zinc/07/09/30/305070930.db2.gz RGUYCOLVYQSNAN-GFCCVEGCSA-N 2 2 333.461 1.301 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@@H]1[NH3+] ZINC000430964376 305071420 /nfs/dbraw/zinc/07/14/20/305071420.db2.gz DUGLCGIIVPATHS-CJNGLKHVSA-N 2 2 326.444 1.722 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@@H]1[NH3+] ZINC000430964376 305071421 /nfs/dbraw/zinc/07/14/21/305071421.db2.gz DUGLCGIIVPATHS-CJNGLKHVSA-N 2 2 326.444 1.722 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000431060374 305074077 /nfs/dbraw/zinc/07/40/77/305074077.db2.gz GARXETPQCYKIAS-KSSFIOAISA-N 2 2 347.459 1.407 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000431060374 305074078 /nfs/dbraw/zinc/07/40/78/305074078.db2.gz GARXETPQCYKIAS-KSSFIOAISA-N 2 2 347.459 1.407 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000433132338 305101354 /nfs/dbraw/zinc/10/13/54/305101354.db2.gz BMWXSIVEBYJFJF-HUUCEWRRSA-N 2 2 339.505 1.811 20 0 EDADLP CN(C)c1nccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000434636940 305125740 /nfs/dbraw/zinc/12/57/40/305125740.db2.gz KUACONQGYOJBDG-QGZVFWFLSA-N 2 2 340.475 1.892 20 0 EDADLP CN(C)c1nccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000434636940 305125741 /nfs/dbraw/zinc/12/57/41/305125741.db2.gz KUACONQGYOJBDG-QGZVFWFLSA-N 2 2 340.475 1.892 20 0 EDADLP CN(C)c1nccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000434636940 305125742 /nfs/dbraw/zinc/12/57/42/305125742.db2.gz KUACONQGYOJBDG-QGZVFWFLSA-N 2 2 340.475 1.892 20 0 EDADLP CN(C)c1nccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000434636940 305125743 /nfs/dbraw/zinc/12/57/43/305125743.db2.gz KUACONQGYOJBDG-QGZVFWFLSA-N 2 2 340.475 1.892 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000434876324 305132062 /nfs/dbraw/zinc/13/20/62/305132062.db2.gz XRMZPXXHDDOZHH-ZBFHGGJFSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000434876324 305132063 /nfs/dbraw/zinc/13/20/63/305132063.db2.gz XRMZPXXHDDOZHH-ZBFHGGJFSA-N 2 2 326.485 1.079 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000435384578 305139638 /nfs/dbraw/zinc/13/96/38/305139638.db2.gz NGKLDVIYQCOGPQ-HNNXBMFYSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000435384578 305139639 /nfs/dbraw/zinc/13/96/39/305139639.db2.gz NGKLDVIYQCOGPQ-HNNXBMFYSA-N 2 2 325.815 1.875 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435564405 305142499 /nfs/dbraw/zinc/14/24/99/305142499.db2.gz CHLVNYSVSMLCBJ-HUUCEWRRSA-N 2 2 332.448 1.553 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)NC(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692368 305145541 /nfs/dbraw/zinc/14/55/41/305145541.db2.gz JARGYMJWMLVEEI-OAHLLOKOSA-N 2 2 333.480 1.372 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CN1CC[NH+](CC)CC1 ZINC000435998536 305150695 /nfs/dbraw/zinc/15/06/95/305150695.db2.gz WGSVHIRKSRZUAD-MRXNPFEDSA-N 2 2 333.480 1.594 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CN1CC[NH+](CC)CC1 ZINC000435998532 305150750 /nfs/dbraw/zinc/15/07/50/305150750.db2.gz WGSVHIRKSRZUAD-INIZCTEOSA-N 2 2 333.480 1.594 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C ZINC000438187166 305182645 /nfs/dbraw/zinc/18/26/45/305182645.db2.gz GNIUSFFKSGFUJI-YVEFUNNKSA-N 2 2 334.464 1.635 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1C ZINC000438187166 305182646 /nfs/dbraw/zinc/18/26/46/305182646.db2.gz GNIUSFFKSGFUJI-YVEFUNNKSA-N 2 2 334.464 1.635 20 0 EDADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H](C)C1 ZINC000441329531 305220873 /nfs/dbraw/zinc/22/08/73/305220873.db2.gz FJJSMFBLGUSOPA-CVEARBPZSA-N 2 2 335.448 1.423 20 0 EDADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H](C)C1 ZINC000441329531 305220874 /nfs/dbraw/zinc/22/08/74/305220874.db2.gz FJJSMFBLGUSOPA-CVEARBPZSA-N 2 2 335.448 1.423 20 0 EDADLP C[NH+](C)CCn1nnnc1SCc1c[nH+]cn1Cc1ccccc1 ZINC000445607473 305259098 /nfs/dbraw/zinc/25/90/98/305259098.db2.gz KZLXFGLVGDZPEW-UHFFFAOYSA-N 2 2 343.460 1.772 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000446265390 305261989 /nfs/dbraw/zinc/26/19/89/305261989.db2.gz PFYLOLPNNNCLOV-JOQOYGCGSA-N 2 2 328.416 1.483 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000446278471 305262308 /nfs/dbraw/zinc/26/23/08/305262308.db2.gz SWSBABYMZDIJFA-DAYGRLMNSA-N 2 2 332.448 1.579 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)s1 ZINC000447438445 305280369 /nfs/dbraw/zinc/28/03/69/305280369.db2.gz FLRZHERUIWOUJP-CYBMUJFWSA-N 2 2 325.478 1.319 20 0 EDADLP COC(=O)COC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000449087263 305306325 /nfs/dbraw/zinc/30/63/25/305306325.db2.gz FJJLJSMBKLOXLK-AWEZNQCLSA-N 2 2 338.423 1.958 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449318623 305311239 /nfs/dbraw/zinc/31/12/39/305311239.db2.gz WGVCREBAJMWPGK-FQEVSTJZSA-N 2 2 334.423 1.924 20 0 EDADLP CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000451247707 305335105 /nfs/dbraw/zinc/33/51/05/305335105.db2.gz AAUDMGVRPAOCAL-NVXWUHKLSA-N 2 2 335.448 1.017 20 0 EDADLP CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000451247707 305335106 /nfs/dbraw/zinc/33/51/06/305335106.db2.gz AAUDMGVRPAOCAL-NVXWUHKLSA-N 2 2 335.448 1.017 20 0 EDADLP CCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527261 305351334 /nfs/dbraw/zinc/35/13/34/305351334.db2.gz DESCYPVZCRQLHP-QGZVFWFLSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527261 305351335 /nfs/dbraw/zinc/35/13/35/305351335.db2.gz DESCYPVZCRQLHP-QGZVFWFLSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527261 305351336 /nfs/dbraw/zinc/35/13/36/305351336.db2.gz DESCYPVZCRQLHP-QGZVFWFLSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527261 305351337 /nfs/dbraw/zinc/35/13/37/305351337.db2.gz DESCYPVZCRQLHP-QGZVFWFLSA-N 2 2 339.480 1.206 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452055385 305380869 /nfs/dbraw/zinc/38/08/69/305380869.db2.gz RYWVPAMAXXIKAL-AWEZNQCLSA-N 2 2 330.436 1.162 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000452055385 305380870 /nfs/dbraw/zinc/38/08/70/305380870.db2.gz RYWVPAMAXXIKAL-AWEZNQCLSA-N 2 2 330.436 1.162 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H](O)C2)CC1 ZINC000452095215 305382312 /nfs/dbraw/zinc/38/23/12/305382312.db2.gz LDJCACRNDDQXTF-ZHALLVOQSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H](O)C2)CC1 ZINC000452095215 305382313 /nfs/dbraw/zinc/38/23/13/305382313.db2.gz LDJCACRNDDQXTF-ZHALLVOQSA-N 2 2 345.487 1.595 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000454220906 305419256 /nfs/dbraw/zinc/41/92/56/305419256.db2.gz FBHVHVOBEQRSOM-KKUMJFAQSA-N 2 2 337.468 1.763 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000517743733 305755634 /nfs/dbraw/zinc/75/56/34/305755634.db2.gz CPMSEHPKVMDLBQ-UHFFFAOYSA-N 2 2 328.420 1.279 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)CC2 ZINC000520821023 305783389 /nfs/dbraw/zinc/78/33/89/305783389.db2.gz LQQTVBKVHJNZEK-FUHWJXTLSA-N 2 2 348.491 1.617 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC2)cn1 ZINC000449121948 447362385 /nfs/dbraw/zinc/36/23/85/447362385.db2.gz JUKCQWOSOXZXNT-QGZVFWFLSA-N 2 2 349.523 1.962 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC2)cn1 ZINC000449121948 447362392 /nfs/dbraw/zinc/36/23/92/447362392.db2.gz JUKCQWOSOXZXNT-QGZVFWFLSA-N 2 2 349.523 1.962 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000528674000 305883307 /nfs/dbraw/zinc/88/33/07/305883307.db2.gz BJKISVYCEPVYNZ-SFHVURJKSA-N 2 2 346.475 1.981 20 0 EDADLP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000528710427 305886289 /nfs/dbraw/zinc/88/62/89/305886289.db2.gz IUGZDYNNVSTUNE-AWEZNQCLSA-N 2 2 327.388 1.502 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@]3([NH+](C)C)CCSC3)[nH+]c12 ZINC000530890443 305948913 /nfs/dbraw/zinc/94/89/13/305948913.db2.gz GNYTZQNAUQNDJV-QGZVFWFLSA-N 2 2 332.473 1.739 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000535316522 306012901 /nfs/dbraw/zinc/01/29/01/306012901.db2.gz JDCNGMHXIIPWHV-OAGGEKHMSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000535316522 306012902 /nfs/dbraw/zinc/01/29/02/306012902.db2.gz JDCNGMHXIIPWHV-OAGGEKHMSA-N 2 2 332.448 1.379 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000539703779 306035948 /nfs/dbraw/zinc/03/59/48/306035948.db2.gz CCWYODOSMHPGJR-KRWDZBQOSA-N 2 2 345.491 1.954 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000539703779 306035949 /nfs/dbraw/zinc/03/59/49/306035949.db2.gz CCWYODOSMHPGJR-KRWDZBQOSA-N 2 2 345.491 1.954 20 0 EDADLP COC[C@](C)(O)C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000542319797 306053018 /nfs/dbraw/zinc/05/30/18/306053018.db2.gz KJSRKBWIIVMBJW-CQSZACIVSA-N 2 2 342.237 1.892 20 0 EDADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1CCS(=O)(=O)C1 ZINC000544347302 306074333 /nfs/dbraw/zinc/07/43/33/306074333.db2.gz RXICWFDZRGNCAU-LBPRGKRZSA-N 2 2 325.459 1.800 20 0 EDADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1CCS(=O)(=O)C1 ZINC000544347302 306074334 /nfs/dbraw/zinc/07/43/34/306074334.db2.gz RXICWFDZRGNCAU-LBPRGKRZSA-N 2 2 325.459 1.800 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000547630484 306105745 /nfs/dbraw/zinc/10/57/45/306105745.db2.gz IHEXEHSSJUGRIG-CVEARBPZSA-N 2 2 333.480 1.865 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000547630484 306105746 /nfs/dbraw/zinc/10/57/46/306105746.db2.gz IHEXEHSSJUGRIG-CVEARBPZSA-N 2 2 333.480 1.865 20 0 EDADLP CCN1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000547693421 306108609 /nfs/dbraw/zinc/10/86/09/306108609.db2.gz DOHNHEABFZGTJV-JKSUJKDBSA-N 2 2 331.464 1.489 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](OC(F)F)C3)cn2)CC1 ZINC000549848515 306149265 /nfs/dbraw/zinc/14/92/65/306149265.db2.gz OSWVCLSPARNLCP-ZDUSSCGKSA-N 2 2 327.379 1.042 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](OC(F)F)C3)cn2)CC1 ZINC000549848515 306149266 /nfs/dbraw/zinc/14/92/66/306149266.db2.gz OSWVCLSPARNLCP-ZDUSSCGKSA-N 2 2 327.379 1.042 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551850620 306163634 /nfs/dbraw/zinc/16/36/34/306163634.db2.gz UEJRPPRYANEVRS-INIZCTEOSA-N 2 2 349.479 1.112 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000551850620 306163635 /nfs/dbraw/zinc/16/36/35/306163635.db2.gz UEJRPPRYANEVRS-INIZCTEOSA-N 2 2 349.479 1.112 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000554577982 306195794 /nfs/dbraw/zinc/19/57/94/306195794.db2.gz RKVVZLXOZZPEKR-UHFFFAOYSA-N 2 2 332.473 1.931 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccccc1F ZINC000557137768 306224821 /nfs/dbraw/zinc/22/48/21/306224821.db2.gz HXNHDGXYEKAJEB-INIZCTEOSA-N 2 2 343.406 1.868 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000557341827 306227480 /nfs/dbraw/zinc/22/74/80/306227480.db2.gz PLLGXVWVTGMLNV-PJIJBLCYSA-N 2 2 331.460 1.951 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C\COCC(F)(F)F)CC1 ZINC000493700212 447373483 /nfs/dbraw/zinc/37/34/83/447373483.db2.gz XGDFFGHSZPWKPV-ARJAWSKDSA-N 2 2 337.386 1.264 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000378139908 447403840 /nfs/dbraw/zinc/40/38/40/447403840.db2.gz IMXGRKUKYASRQM-MRXNPFEDSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000378139908 447403845 /nfs/dbraw/zinc/40/38/45/447403845.db2.gz IMXGRKUKYASRQM-MRXNPFEDSA-N 2 2 331.460 1.941 20 0 EDADLP CC[C@@H](COC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422223615 447409401 /nfs/dbraw/zinc/40/94/01/447409401.db2.gz COQMPGQDSZAXQV-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@@H](COC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422223615 447409404 /nfs/dbraw/zinc/40/94/04/447409404.db2.gz COQMPGQDSZAXQV-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494201566 447429966 /nfs/dbraw/zinc/42/99/66/447429966.db2.gz NJLBGCKXKNTAON-YOEHRIQHSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494201566 447429970 /nfs/dbraw/zinc/42/99/70/447429970.db2.gz NJLBGCKXKNTAON-YOEHRIQHSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494201564 447430377 /nfs/dbraw/zinc/43/03/77/447430377.db2.gz NJLBGCKXKNTAON-RHSMWYFYSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494201564 447430385 /nfs/dbraw/zinc/43/03/85/447430385.db2.gz NJLBGCKXKNTAON-RHSMWYFYSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000047028728 441149809 /nfs/dbraw/zinc/14/98/09/441149809.db2.gz KMDPDCCSUBQVSM-KRWDZBQOSA-N 2 2 341.459 1.842 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000105101181 441233357 /nfs/dbraw/zinc/23/33/57/441233357.db2.gz WIDMZDGVJKXKAV-UHFFFAOYSA-N 2 2 333.436 1.096 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)([NH+](C)C)C1 ZINC000105173971 441239259 /nfs/dbraw/zinc/23/92/59/441239259.db2.gz IXVATGBEZGRODC-BFYDXBDKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)([NH+](C)C)C1 ZINC000105173971 441239264 /nfs/dbraw/zinc/23/92/64/441239264.db2.gz IXVATGBEZGRODC-BFYDXBDKSA-N 2 2 326.485 1.127 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000105169908 441239652 /nfs/dbraw/zinc/23/96/52/441239652.db2.gz GKBNFCFORXBXDL-GOSISDBHSA-N 2 2 348.491 1.133 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC1 ZINC000071925406 441199248 /nfs/dbraw/zinc/19/92/48/441199248.db2.gz NAUIAIZGHCPLBT-INIZCTEOSA-N 2 2 345.422 1.996 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000047597167 441208376 /nfs/dbraw/zinc/20/83/76/441208376.db2.gz GSGFYGKKIHVSJW-UHFFFAOYSA-N 2 2 328.420 1.768 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(=O)NCc1ccccc1 ZINC000080933578 441209762 /nfs/dbraw/zinc/20/97/62/441209762.db2.gz USQHXCNIFAOBOA-HNNXBMFYSA-N 2 2 341.415 1.615 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(=O)NCc1ccccc1 ZINC000080933578 441209764 /nfs/dbraw/zinc/20/97/64/441209764.db2.gz USQHXCNIFAOBOA-HNNXBMFYSA-N 2 2 341.415 1.615 20 0 EDADLP CC(C)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCOCC1 ZINC000060600981 441252535 /nfs/dbraw/zinc/25/25/35/441252535.db2.gz PCPTVCKBCKZVGC-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP C[C@H](O)CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000072712921 441253433 /nfs/dbraw/zinc/25/34/33/441253433.db2.gz AMALLPRCBKPBQJ-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP C[C@H](O)CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000072712921 441253437 /nfs/dbraw/zinc/25/34/37/441253437.db2.gz AMALLPRCBKPBQJ-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CCC1 ZINC000072722007 441255370 /nfs/dbraw/zinc/25/53/70/441255370.db2.gz CGPHNRTWPMKADE-UHFFFAOYSA-N 2 2 343.471 1.750 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CCC1 ZINC000072722007 441255373 /nfs/dbraw/zinc/25/53/73/441255373.db2.gz CGPHNRTWPMKADE-UHFFFAOYSA-N 2 2 343.471 1.750 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000072860722 441270764 /nfs/dbraw/zinc/27/07/64/441270764.db2.gz ZDUYYETYMSBAOK-INIZCTEOSA-N 2 2 349.475 1.594 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000072860722 441270767 /nfs/dbraw/zinc/27/07/67/441270767.db2.gz ZDUYYETYMSBAOK-INIZCTEOSA-N 2 2 349.475 1.594 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000072860722 441270771 /nfs/dbraw/zinc/27/07/71/441270771.db2.gz ZDUYYETYMSBAOK-INIZCTEOSA-N 2 2 349.475 1.594 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000072860722 441270775 /nfs/dbraw/zinc/27/07/75/441270775.db2.gz ZDUYYETYMSBAOK-INIZCTEOSA-N 2 2 349.475 1.594 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCCC1 ZINC000073044539 441288120 /nfs/dbraw/zinc/28/81/20/441288120.db2.gz ZXEULCVEMYRSBB-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n1C ZINC000074254945 441413367 /nfs/dbraw/zinc/41/33/67/441413367.db2.gz NYDHGSNYQGKAAR-UHFFFAOYSA-N 2 2 338.415 1.661 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccccc3F)C2)CC1 ZINC000107370497 441414615 /nfs/dbraw/zinc/41/46/15/441414615.db2.gz IXBXVOHCHVZLJY-HNNXBMFYSA-N 2 2 334.439 1.476 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3F)C2)CC1 ZINC000107370497 441414619 /nfs/dbraw/zinc/41/46/19/441414619.db2.gz IXBXVOHCHVZLJY-HNNXBMFYSA-N 2 2 334.439 1.476 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)cc3C(=O)OC)C2)CC1 ZINC000107371395 441414678 /nfs/dbraw/zinc/41/46/78/441414678.db2.gz ALCMLBCGQNLHRP-KRWDZBQOSA-N 2 2 349.450 1.824 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)cc3C(=O)OC)C2)CC1 ZINC000107371395 441414683 /nfs/dbraw/zinc/41/46/83/441414683.db2.gz ALCMLBCGQNLHRP-KRWDZBQOSA-N 2 2 349.450 1.824 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000051761836 441422478 /nfs/dbraw/zinc/42/24/78/441422478.db2.gz XHBWNIXMVBMQMU-UHFFFAOYSA-N 2 2 327.432 1.078 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000085388922 441436451 /nfs/dbraw/zinc/43/64/51/441436451.db2.gz GQRIPKVZXBPRHU-HOCLYGCPSA-N 2 2 342.447 1.749 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000085388922 441436453 /nfs/dbraw/zinc/43/64/53/441436453.db2.gz GQRIPKVZXBPRHU-HOCLYGCPSA-N 2 2 342.447 1.749 20 0 EDADLP CC1CC[NH+](CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000051209581 441403942 /nfs/dbraw/zinc/40/39/42/441403942.db2.gz CZFCJPNGPJYVND-UHFFFAOYSA-N 2 2 344.503 1.657 20 0 EDADLP C[C@@H]1C[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000052856230 441481814 /nfs/dbraw/zinc/48/18/14/441481814.db2.gz WWTGOOPGKMXEGL-IAGOWNOFSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2cc(C)on2)CC1 ZINC000075007867 441485742 /nfs/dbraw/zinc/48/57/42/441485742.db2.gz OTXLXTPYLUXSTA-UHFFFAOYSA-N 2 2 338.452 1.744 20 0 EDADLP CCC[N@H+](CCO)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000052948485 441488560 /nfs/dbraw/zinc/48/85/60/441488560.db2.gz NHFSFECSEDDKGK-QGZVFWFLSA-N 2 2 333.476 1.596 20 0 EDADLP CCC[N@@H+](CCO)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000052948485 441488563 /nfs/dbraw/zinc/48/85/63/441488563.db2.gz NHFSFECSEDDKGK-QGZVFWFLSA-N 2 2 333.476 1.596 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000108550012 441462418 /nfs/dbraw/zinc/46/24/18/441462418.db2.gz HGERXDSCZSIOLG-MRXNPFEDSA-N 2 2 331.464 1.823 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000108550012 441462420 /nfs/dbraw/zinc/46/24/20/441462420.db2.gz HGERXDSCZSIOLG-MRXNPFEDSA-N 2 2 331.464 1.823 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000066484352 441537281 /nfs/dbraw/zinc/53/72/81/441537281.db2.gz WFXZCWZWDDPIKW-UHFFFAOYSA-N 2 2 344.503 1.600 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000066484352 441537285 /nfs/dbraw/zinc/53/72/85/441537285.db2.gz WFXZCWZWDDPIKW-UHFFFAOYSA-N 2 2 344.503 1.600 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000066178654 441509959 /nfs/dbraw/zinc/50/99/59/441509959.db2.gz GSKYBSOOIPMXSI-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000066178654 441509961 /nfs/dbraw/zinc/50/99/61/441509961.db2.gz GSKYBSOOIPMXSI-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000076002546 441576702 /nfs/dbraw/zinc/57/67/02/441576702.db2.gz XYAUHCOUHFGTCA-OAHLLOKOSA-N 2 2 339.480 1.062 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000076002546 441576706 /nfs/dbraw/zinc/57/67/06/441576706.db2.gz XYAUHCOUHFGTCA-OAHLLOKOSA-N 2 2 339.480 1.062 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066918059 441586377 /nfs/dbraw/zinc/58/63/77/441586377.db2.gz FJLSFUQRVMXSMS-ZJPYXAASSA-N 2 2 339.524 1.968 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066918059 441586379 /nfs/dbraw/zinc/58/63/79/441586379.db2.gz FJLSFUQRVMXSMS-ZJPYXAASSA-N 2 2 339.524 1.968 20 0 EDADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066918059 441586380 /nfs/dbraw/zinc/58/63/80/441586380.db2.gz FJLSFUQRVMXSMS-ZJPYXAASSA-N 2 2 339.524 1.968 20 0 EDADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066918059 441586381 /nfs/dbraw/zinc/58/63/81/441586381.db2.gz FJLSFUQRVMXSMS-ZJPYXAASSA-N 2 2 339.524 1.968 20 0 EDADLP Cc1ccccc1NC(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926708 441596738 /nfs/dbraw/zinc/59/67/38/441596738.db2.gz OKAWQDYJNKMZDB-UHFFFAOYSA-N 2 2 327.432 1.879 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000113515649 441612722 /nfs/dbraw/zinc/61/27/22/441612722.db2.gz UQBYCDPLKRUGPS-OAHLLOKOSA-N 2 2 340.489 1.743 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000113515649 441612726 /nfs/dbraw/zinc/61/27/26/441612726.db2.gz UQBYCDPLKRUGPS-OAHLLOKOSA-N 2 2 340.489 1.743 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000041323513 441644613 /nfs/dbraw/zinc/64/46/13/441644613.db2.gz LSYLRTRBFQAAKE-CQSZACIVSA-N 2 2 328.420 1.635 20 0 EDADLP CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CC[NH+](C)CC1 ZINC000056057463 441684459 /nfs/dbraw/zinc/68/44/59/441684459.db2.gz NYPKVVVLJFQIKY-UHFFFAOYSA-N 2 2 333.480 1.185 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000115572230 441759227 /nfs/dbraw/zinc/75/92/27/441759227.db2.gz VOPSLYSHROPTAR-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000115572230 441759234 /nfs/dbraw/zinc/75/92/34/441759234.db2.gz VOPSLYSHROPTAR-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000137287182 441761746 /nfs/dbraw/zinc/76/17/46/441761746.db2.gz TYAPCEOETLSSAM-UHFFFAOYSA-N 2 2 342.447 1.979 20 0 EDADLP CCCC[C@H](C(=O)OC)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116399876 441819381 /nfs/dbraw/zinc/81/93/81/441819381.db2.gz YBTJNNQYZDHVPV-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[C@H](C(=O)OC)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000116399876 441819384 /nfs/dbraw/zinc/81/93/84/441819384.db2.gz YBTJNNQYZDHVPV-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP c1csc(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC000121809841 441784964 /nfs/dbraw/zinc/78/49/64/441784964.db2.gz QEUKDFVFZOBCQG-UHFFFAOYSA-N 2 2 345.472 1.697 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NCCC[NH+](C)C)c[nH+]2)C[C@@H](C)O1 ZINC000042921604 441798792 /nfs/dbraw/zinc/79/87/92/441798792.db2.gz SHENXAVBTZTQIA-HUUCEWRRSA-N 2 2 349.479 1.446 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140010132 441831000 /nfs/dbraw/zinc/83/10/00/441831000.db2.gz KIUUWXJLWALEIJ-HOTGVXAUSA-N 2 2 345.443 1.448 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140010132 441831004 /nfs/dbraw/zinc/83/10/04/441831004.db2.gz KIUUWXJLWALEIJ-HOTGVXAUSA-N 2 2 345.443 1.448 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140010132 441831009 /nfs/dbraw/zinc/83/10/09/441831009.db2.gz KIUUWXJLWALEIJ-HOTGVXAUSA-N 2 2 345.443 1.448 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140010132 441831014 /nfs/dbraw/zinc/83/10/14/441831014.db2.gz KIUUWXJLWALEIJ-HOTGVXAUSA-N 2 2 345.443 1.448 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174405298 441922585 /nfs/dbraw/zinc/92/25/85/441922585.db2.gz WJRCLCHFFDKBCR-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174405298 441922591 /nfs/dbraw/zinc/92/25/91/441922591.db2.gz WJRCLCHFFDKBCR-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174405298 441922596 /nfs/dbraw/zinc/92/25/96/441922596.db2.gz WJRCLCHFFDKBCR-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174405298 441922601 /nfs/dbraw/zinc/92/26/01/441922601.db2.gz WJRCLCHFFDKBCR-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOCC34CCCC4)cn2)CC1 ZINC000093840677 441898464 /nfs/dbraw/zinc/89/84/64/441898464.db2.gz OXHWENXFXMJBKF-UHFFFAOYSA-N 2 2 331.464 1.373 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCOCC34CCCC4)cn2)CC1 ZINC000093840677 441898469 /nfs/dbraw/zinc/89/84/69/441898469.db2.gz OXHWENXFXMJBKF-UHFFFAOYSA-N 2 2 331.464 1.373 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150813413 441955500 /nfs/dbraw/zinc/95/55/00/441955500.db2.gz GNFYXMUHPJQOGJ-MRXNPFEDSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150813413 441955504 /nfs/dbraw/zinc/95/55/04/441955504.db2.gz GNFYXMUHPJQOGJ-MRXNPFEDSA-N 2 2 331.460 1.729 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(Cl)cc1 ZINC000174725156 441960749 /nfs/dbraw/zinc/96/07/49/441960749.db2.gz LPWASFDFVFOJQQ-UHFFFAOYSA-N 2 2 338.883 1.848 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(Cl)cc1 ZINC000174725156 441960751 /nfs/dbraw/zinc/96/07/51/441960751.db2.gz LPWASFDFVFOJQQ-UHFFFAOYSA-N 2 2 338.883 1.848 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150855762 441964050 /nfs/dbraw/zinc/96/40/50/441964050.db2.gz GGVJLRZJNHTPFZ-GOSISDBHSA-N 2 2 345.487 1.908 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150855762 441964056 /nfs/dbraw/zinc/96/40/56/441964056.db2.gz GGVJLRZJNHTPFZ-GOSISDBHSA-N 2 2 345.487 1.908 20 0 EDADLP C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000174765237 441966141 /nfs/dbraw/zinc/96/61/41/441966141.db2.gz XNGDJNIOEXVTAE-AWEZNQCLSA-N 2 2 345.422 1.418 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000175115209 442006483 /nfs/dbraw/zinc/00/64/83/442006483.db2.gz HYPUQHKYASJEPS-SJORKVTESA-N 2 2 345.491 1.145 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000175115209 442006485 /nfs/dbraw/zinc/00/64/85/442006485.db2.gz HYPUQHKYASJEPS-SJORKVTESA-N 2 2 345.491 1.145 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000079296474 442037016 /nfs/dbraw/zinc/03/70/16/442037016.db2.gz LZQHMHNYYXRNCT-KRWDZBQOSA-N 2 2 345.491 1.783 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000120313479 442047937 /nfs/dbraw/zinc/04/79/37/442047937.db2.gz PJCJWOUIIBRMMO-UHFFFAOYSA-N 2 2 333.436 1.489 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000175557264 442085175 /nfs/dbraw/zinc/08/51/75/442085175.db2.gz BYSMNTNWPNZRLL-UHFFFAOYSA-N 3 2 339.528 1.188 20 0 EDADLP Cc1cc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1F ZINC000175564986 442086592 /nfs/dbraw/zinc/08/65/92/442086592.db2.gz DBTCRJJESCSJKT-UHFFFAOYSA-N 2 2 336.455 1.959 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175720691 442111067 /nfs/dbraw/zinc/11/10/67/442111067.db2.gz RMADCCBAKUMJEX-OAHLLOKOSA-N 3 2 327.517 1.042 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175720691 442111069 /nfs/dbraw/zinc/11/10/69/442111069.db2.gz RMADCCBAKUMJEX-OAHLLOKOSA-N 3 2 327.517 1.042 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000162642298 442111887 /nfs/dbraw/zinc/11/18/87/442111887.db2.gz DBRSKLXMAGCHGT-CABCVRRESA-N 2 2 337.489 1.407 20 0 EDADLP CCOc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162812058 442124924 /nfs/dbraw/zinc/12/49/24/442124924.db2.gz DZIYMKNYKDFKOK-KRWDZBQOSA-N 2 2 331.460 1.824 20 0 EDADLP CCOc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162812058 442124927 /nfs/dbraw/zinc/12/49/27/442124927.db2.gz DZIYMKNYKDFKOK-KRWDZBQOSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162518177 442099856 /nfs/dbraw/zinc/09/98/56/442099856.db2.gz NRDVBZRBELIPGH-OKZBNKHCSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162518177 442099864 /nfs/dbraw/zinc/09/98/64/442099864.db2.gz NRDVBZRBELIPGH-OKZBNKHCSA-N 2 2 337.508 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000162577050 442105141 /nfs/dbraw/zinc/10/51/41/442105141.db2.gz FIYJYWYTJVVFRS-VBROQKIQSA-N 2 2 327.350 1.820 20 0 EDADLP Cc1[nH+]ccn1CCCN1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000127283204 442189319 /nfs/dbraw/zinc/18/93/19/442189319.db2.gz ZHBBNOFOQCXQJW-UHFFFAOYSA-N 3 2 330.480 1.794 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167396726 442221301 /nfs/dbraw/zinc/22/13/01/442221301.db2.gz ZIRRKRNZIWOPLH-QAPCUYQASA-N 2 2 347.459 1.266 20 0 EDADLP CC[C@H](C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)[NH+](C)C ZINC000152624967 442231825 /nfs/dbraw/zinc/23/18/25/442231825.db2.gz NYOOOCKBPBVXFB-QGZVFWFLSA-N 2 2 349.475 1.354 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000128674518 442281717 /nfs/dbraw/zinc/28/17/17/442281717.db2.gz HHEGOTCVHDCUCR-HOTGVXAUSA-N 2 2 332.448 1.135 20 0 EDADLP C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177113569 442298549 /nfs/dbraw/zinc/29/85/49/442298549.db2.gz OKNCTLWHILCGRH-KBXCAEBGSA-N 2 2 347.459 1.357 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)[N@@H+](C)C1CC1 ZINC000129163076 442304105 /nfs/dbraw/zinc/30/41/05/442304105.db2.gz BOZVKNPRFQAJAF-HUUCEWRRSA-N 2 2 331.464 1.832 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000130512919 442348289 /nfs/dbraw/zinc/34/82/89/442348289.db2.gz YYHPUXJUYVCDOI-WMZOPIPTSA-N 2 2 331.460 1.484 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[N@@H+]1C1CC1 ZINC000177207823 442313426 /nfs/dbraw/zinc/31/34/26/442313426.db2.gz JJXPBCCBJRADMY-AYBZRNKSSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[N@H+]1C1CC1 ZINC000177207823 442313429 /nfs/dbraw/zinc/31/34/29/442313429.db2.gz JJXPBCCBJRADMY-AYBZRNKSSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH+]1C1CC1 ZINC000177207823 442313431 /nfs/dbraw/zinc/31/34/31/442313431.db2.gz JJXPBCCBJRADMY-AYBZRNKSSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH+]1C1CC1 ZINC000177207823 442313433 /nfs/dbraw/zinc/31/34/33/442313433.db2.gz JJXPBCCBJRADMY-AYBZRNKSSA-N 2 2 343.471 1.629 20 0 EDADLP Cc1cc(NC(=O)CC[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)no1 ZINC000177218123 442314486 /nfs/dbraw/zinc/31/44/86/442314486.db2.gz KOJXWJUNIRTPOP-GFCCVEGCSA-N 2 2 337.449 1.421 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)CC1 ZINC000177241895 442318659 /nfs/dbraw/zinc/31/86/59/442318659.db2.gz MZZGGVCRNZOUOV-YLJYHZDGSA-N 2 2 345.487 1.787 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@](C)(c3ccccc3)C2)CC1 ZINC000177241895 442318663 /nfs/dbraw/zinc/31/86/63/442318663.db2.gz MZZGGVCRNZOUOV-YLJYHZDGSA-N 2 2 345.487 1.787 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000171675084 442368721 /nfs/dbraw/zinc/36/87/21/442368721.db2.gz LAGACATWXASFPD-AEFFLSMTSA-N 2 2 333.476 1.906 20 0 EDADLP C[C@H]1C[NH+](Cc2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2)C[C@H](C)O1 ZINC000171758090 442378044 /nfs/dbraw/zinc/37/80/44/442378044.db2.gz QAAGEXACEHSPAQ-GJZGRUSLSA-N 2 2 342.443 1.991 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000171982277 442395851 /nfs/dbraw/zinc/39/58/51/442395851.db2.gz GZWXRGWZEXCHPE-HKUYNNGSSA-N 2 2 346.519 1.679 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000171982277 442395854 /nfs/dbraw/zinc/39/58/54/442395854.db2.gz GZWXRGWZEXCHPE-HKUYNNGSSA-N 2 2 346.519 1.679 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177609787 442362513 /nfs/dbraw/zinc/36/25/13/442362513.db2.gz JVCKKVVCBQHBBZ-CYBMUJFWSA-N 2 2 326.404 1.975 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccn1 ZINC000155624769 442414227 /nfs/dbraw/zinc/41/42/27/442414227.db2.gz OACIEVUNXRATON-OAHLLOKOSA-N 2 2 343.431 1.097 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000155634674 442414761 /nfs/dbraw/zinc/41/47/61/442414761.db2.gz BHWVOOHVAZKDBP-JQHSSLGASA-N 2 2 333.476 1.858 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000133398938 442416641 /nfs/dbraw/zinc/41/66/41/442416641.db2.gz MDYYFTVIZHNRTE-GDBMZVCRSA-N 2 2 348.447 1.860 20 0 EDADLP C[N@@H+]1CCCN(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000178777013 442481431 /nfs/dbraw/zinc/48/14/31/442481431.db2.gz ARIFRZVQZMCUCS-UHFFFAOYSA-N 3 2 345.535 1.663 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000178777013 442481437 /nfs/dbraw/zinc/48/14/37/442481437.db2.gz ARIFRZVQZMCUCS-UHFFFAOYSA-N 3 2 345.535 1.663 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178781183 442483973 /nfs/dbraw/zinc/48/39/73/442483973.db2.gz WDVUGFRMMLNNPT-MRXNPFEDSA-N 2 2 331.464 1.836 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000172697465 442522671 /nfs/dbraw/zinc/52/26/71/442522671.db2.gz HOTMGLUBJPDKSH-GOSISDBHSA-N 2 2 331.460 1.326 20 0 EDADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nccc(N)n3)CC2)C[C@H](C)O1 ZINC000135130960 442559619 /nfs/dbraw/zinc/55/96/19/442559619.db2.gz DOCRUEUBJNDMKI-GASCZTMLSA-N 2 2 333.480 1.770 20 0 EDADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nccc(N)n3)CC2)C[C@H](C)O1 ZINC000135130960 442559625 /nfs/dbraw/zinc/55/96/25/442559625.db2.gz DOCRUEUBJNDMKI-GASCZTMLSA-N 2 2 333.480 1.770 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000192359034 442639381 /nfs/dbraw/zinc/63/93/81/442639381.db2.gz XDEICJKWKQQQKK-RHSMWYFYSA-N 2 2 331.460 1.912 20 0 EDADLP C[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+]1CCCCCC1 ZINC000173155886 442612737 /nfs/dbraw/zinc/61/27/37/442612737.db2.gz OERZZMSNZJAJLF-KRWDZBQOSA-N 2 2 347.507 1.719 20 0 EDADLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+]1CCCCCC1 ZINC000173155886 442612742 /nfs/dbraw/zinc/61/27/42/442612742.db2.gz OERZZMSNZJAJLF-KRWDZBQOSA-N 2 2 347.507 1.719 20 0 EDADLP COc1ccccc1C[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000192709070 442679209 /nfs/dbraw/zinc/67/92/09/442679209.db2.gz DAKUGFJENCNIJU-KRWDZBQOSA-N 2 2 333.476 1.534 20 0 EDADLP COc1ccccc1C[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000192709070 442679211 /nfs/dbraw/zinc/67/92/11/442679211.db2.gz DAKUGFJENCNIJU-KRWDZBQOSA-N 2 2 333.476 1.534 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NCC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000193003502 442704661 /nfs/dbraw/zinc/70/46/61/442704661.db2.gz DAPCOCIMDRSRHL-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP Nc1cc[nH+]cc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000188043300 442704742 /nfs/dbraw/zinc/70/47/42/442704742.db2.gz DXSMBLGCEQAKCJ-UHFFFAOYSA-N 2 2 336.399 1.270 20 0 EDADLP CC[NH+](CC)CCCN1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000193463697 442745326 /nfs/dbraw/zinc/74/53/26/442745326.db2.gz QSZGWICPGAURCD-UHFFFAOYSA-N 2 2 332.492 1.975 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265478001 442787885 /nfs/dbraw/zinc/78/78/85/442787885.db2.gz KDFOSSIVJVHYGB-DOTOQJQBSA-N 2 2 346.475 1.675 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000265478001 442787889 /nfs/dbraw/zinc/78/78/89/442787889.db2.gz KDFOSSIVJVHYGB-DOTOQJQBSA-N 2 2 346.475 1.675 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000265478001 442787893 /nfs/dbraw/zinc/78/78/93/442787893.db2.gz KDFOSSIVJVHYGB-DOTOQJQBSA-N 2 2 346.475 1.675 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265478001 442787898 /nfs/dbraw/zinc/78/78/98/442787898.db2.gz KDFOSSIVJVHYGB-DOTOQJQBSA-N 2 2 346.475 1.675 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1C ZINC000194044033 442835665 /nfs/dbraw/zinc/83/56/65/442835665.db2.gz HEDQDTGEISIHHL-QGZVFWFLSA-N 2 2 331.460 1.742 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1C ZINC000194044033 442835670 /nfs/dbraw/zinc/83/56/70/442835670.db2.gz HEDQDTGEISIHHL-QGZVFWFLSA-N 2 2 331.460 1.742 20 0 EDADLP COc1cccc(OCCN2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000182864314 442838746 /nfs/dbraw/zinc/83/87/46/442838746.db2.gz LPDTUSWNMGQGPD-UHFFFAOYSA-N 2 2 344.459 1.978 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000247172991 442838797 /nfs/dbraw/zinc/83/87/97/442838797.db2.gz RFMSYLSRTKLIPA-RVKKMQEKSA-N 2 2 347.459 1.565 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000247172991 442838801 /nfs/dbraw/zinc/83/88/01/442838801.db2.gz RFMSYLSRTKLIPA-RVKKMQEKSA-N 2 2 347.459 1.565 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000247172991 442838803 /nfs/dbraw/zinc/83/88/03/442838803.db2.gz RFMSYLSRTKLIPA-RVKKMQEKSA-N 2 2 347.459 1.565 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000247172991 442838806 /nfs/dbraw/zinc/83/88/06/442838806.db2.gz RFMSYLSRTKLIPA-RVKKMQEKSA-N 2 2 347.459 1.565 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248751133 442924002 /nfs/dbraw/zinc/92/40/02/442924002.db2.gz UHYBBBKNVDDVIM-RHQZKXFESA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248751133 442924007 /nfs/dbraw/zinc/92/40/07/442924007.db2.gz UHYBBBKNVDDVIM-RHQZKXFESA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CN(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248751133 442924008 /nfs/dbraw/zinc/92/40/08/442924008.db2.gz UHYBBBKNVDDVIM-RHQZKXFESA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CN(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248751133 442924011 /nfs/dbraw/zinc/92/40/11/442924011.db2.gz UHYBBBKNVDDVIM-RHQZKXFESA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H](N(C)C[C@@H](O)C[NH+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000248751133 442924013 /nfs/dbraw/zinc/92/40/13/442924013.db2.gz UHYBBBKNVDDVIM-RHQZKXFESA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H](N(C)C[C@@H](O)C[NH+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000248751133 442924016 /nfs/dbraw/zinc/92/40/16/442924016.db2.gz UHYBBBKNVDDVIM-RHQZKXFESA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H](N(C)C[C@@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248751133 442924017 /nfs/dbraw/zinc/92/40/17/442924017.db2.gz UHYBBBKNVDDVIM-RHQZKXFESA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H](N(C)C[C@@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248751133 442924020 /nfs/dbraw/zinc/92/40/20/442924020.db2.gz UHYBBBKNVDDVIM-RHQZKXFESA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H](CCNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000184706215 318537376 /nfs/dbraw/zinc/53/73/76/318537376.db2.gz XMWVEKMLECPTGR-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000183751507 442960548 /nfs/dbraw/zinc/96/05/48/442960548.db2.gz HXBXSZNAOYYBHA-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP CC[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000183751507 442960549 /nfs/dbraw/zinc/96/05/49/442960549.db2.gz HXBXSZNAOYYBHA-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP O[C@H](Cn1nc(C(F)(F)F)c2c[nH+]ccc21)C[NH+]1CCOCC1 ZINC000193006263 318582073 /nfs/dbraw/zinc/58/20/73/318582073.db2.gz RNICGFDIIUOINZ-JTQLQIEISA-N 2 2 330.310 1.143 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000266047784 442999100 /nfs/dbraw/zinc/99/91/00/442999100.db2.gz XWNUXVUNMKLMBK-OKZBNKHCSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000266047784 442999101 /nfs/dbraw/zinc/99/91/01/442999101.db2.gz XWNUXVUNMKLMBK-OKZBNKHCSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000249596435 442993617 /nfs/dbraw/zinc/99/36/17/442993617.db2.gz WYWDRQDDUATTBW-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000249596435 442993620 /nfs/dbraw/zinc/99/36/20/442993620.db2.gz WYWDRQDDUATTBW-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP CC[C@](C)(O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000189744517 443001366 /nfs/dbraw/zinc/00/13/66/443001366.db2.gz OREMSRMNVKURPL-IBGZPJMESA-N 2 2 333.476 1.424 20 0 EDADLP CC[C@](C)(O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000189744517 443001367 /nfs/dbraw/zinc/00/13/67/443001367.db2.gz OREMSRMNVKURPL-IBGZPJMESA-N 2 2 333.476 1.424 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000184846852 443085750 /nfs/dbraw/zinc/08/57/50/443085750.db2.gz MXEMTBWIMYTQDO-CQSZACIVSA-N 2 2 328.416 1.766 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268870881 443132250 /nfs/dbraw/zinc/13/22/50/443132250.db2.gz GBQKXNZVFNSCRE-GXTWGEPZSA-N 2 2 343.468 1.126 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268870881 443132252 /nfs/dbraw/zinc/13/22/52/443132252.db2.gz GBQKXNZVFNSCRE-GXTWGEPZSA-N 2 2 343.468 1.126 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2)C1 ZINC000268881279 443136456 /nfs/dbraw/zinc/13/64/56/443136456.db2.gz HVCXITQJFZAGSZ-GOEBONIOSA-N 2 2 335.448 1.723 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2)C1 ZINC000268881279 443136460 /nfs/dbraw/zinc/13/64/60/443136460.db2.gz HVCXITQJFZAGSZ-GOEBONIOSA-N 2 2 335.448 1.723 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000190751854 443176163 /nfs/dbraw/zinc/17/61/63/443176163.db2.gz HLQDTOGUKZGBRJ-GOSISDBHSA-N 2 2 327.428 1.599 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000190751854 443176167 /nfs/dbraw/zinc/17/61/67/443176167.db2.gz HLQDTOGUKZGBRJ-GOSISDBHSA-N 2 2 327.428 1.599 20 0 EDADLP CC(C)C[C@@H](CO)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185331717 443184737 /nfs/dbraw/zinc/18/47/37/443184737.db2.gz XEOJZVVRFYCVNO-KRWDZBQOSA-N 2 2 348.491 1.459 20 0 EDADLP CC(C)C[C@@H](CO)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185331717 443184740 /nfs/dbraw/zinc/18/47/40/443184740.db2.gz XEOJZVVRFYCVNO-KRWDZBQOSA-N 2 2 348.491 1.459 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266630050 443191617 /nfs/dbraw/zinc/19/16/17/443191617.db2.gz WVBAQGYINSBMHG-SJLPKXTDSA-N 2 2 342.443 1.679 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266630050 443191619 /nfs/dbraw/zinc/19/16/19/443191619.db2.gz WVBAQGYINSBMHG-SJLPKXTDSA-N 2 2 342.443 1.679 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@H](CO)C3)CC2)c1 ZINC000190856989 443197557 /nfs/dbraw/zinc/19/75/57/443197557.db2.gz LYZGXJNLNUVKLA-MJGOQNOKSA-N 2 2 345.487 1.199 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H](CO)C3)CC2)c1 ZINC000190856989 443197559 /nfs/dbraw/zinc/19/75/59/443197559.db2.gz LYZGXJNLNUVKLA-MJGOQNOKSA-N 2 2 345.487 1.199 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000245394684 443222494 /nfs/dbraw/zinc/22/24/94/443222494.db2.gz YIFPKAKHWIOCGY-IRXDYDNUSA-N 2 2 333.501 1.987 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000245394684 443222497 /nfs/dbraw/zinc/22/24/97/443222497.db2.gz YIFPKAKHWIOCGY-IRXDYDNUSA-N 2 2 333.501 1.987 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000245410738 443225284 /nfs/dbraw/zinc/22/52/84/443225284.db2.gz SNGDGMBYGXLXMS-OAGGEKHMSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000245410738 443225287 /nfs/dbraw/zinc/22/52/87/443225287.db2.gz SNGDGMBYGXLXMS-OAGGEKHMSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000245410738 443225292 /nfs/dbraw/zinc/22/52/92/443225292.db2.gz SNGDGMBYGXLXMS-OAGGEKHMSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000245410738 443225294 /nfs/dbraw/zinc/22/52/94/443225294.db2.gz SNGDGMBYGXLXMS-OAGGEKHMSA-N 2 2 339.480 1.203 20 0 EDADLP Cc1[nH]ccc1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262884131 443215718 /nfs/dbraw/zinc/21/57/18/443215718.db2.gz FVBLHBKQUGSNCG-OAHLLOKOSA-N 2 2 327.432 1.841 20 0 EDADLP CCC[NH+]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000266803957 443248844 /nfs/dbraw/zinc/24/88/44/443248844.db2.gz FWTREEMBCLZHPZ-UHFFFAOYSA-N 2 2 331.460 1.687 20 0 EDADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)c[nH+]c12 ZINC000360024886 319116215 /nfs/dbraw/zinc/11/62/15/319116215.db2.gz WQYGPUWYIUZFAG-UGSOOPFHSA-N 2 2 341.415 1.453 20 0 EDADLP [NH3+]CCCOC1CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000382629300 319124461 /nfs/dbraw/zinc/12/44/61/319124461.db2.gz IAAVDTKYUMYOGB-UHFFFAOYSA-N 2 2 330.436 1.051 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000411596934 319187449 /nfs/dbraw/zinc/18/74/49/319187449.db2.gz UGIDDOGLKHCAJY-AWEZNQCLSA-N 2 2 329.404 1.214 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000411596934 319187450 /nfs/dbraw/zinc/18/74/50/319187450.db2.gz UGIDDOGLKHCAJY-AWEZNQCLSA-N 2 2 329.404 1.214 20 0 EDADLP COC[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000411918405 319213245 /nfs/dbraw/zinc/21/32/45/319213245.db2.gz FLGUAMFWDCTCMB-JYJNAYRXSA-N 2 2 333.432 1.096 20 0 EDADLP COC[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000411918405 319213246 /nfs/dbraw/zinc/21/32/46/319213246.db2.gz FLGUAMFWDCTCMB-JYJNAYRXSA-N 2 2 333.432 1.096 20 0 EDADLP C[NH+]1CCN(c2ccc(CNc3cc(NC4CC4)[nH+]cn3)cn2)CC1 ZINC000413043239 319259191 /nfs/dbraw/zinc/25/91/91/319259191.db2.gz MRSRWUOLFNPQKK-UHFFFAOYSA-N 2 2 339.447 1.810 20 0 EDADLP C[NH+]1CCN(c2ccc(CNc3cc(NC4CC4)nc[nH+]3)cn2)CC1 ZINC000413043239 319259194 /nfs/dbraw/zinc/25/91/94/319259194.db2.gz MRSRWUOLFNPQKK-UHFFFAOYSA-N 2 2 339.447 1.810 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)C1 ZINC000414687053 319342285 /nfs/dbraw/zinc/34/22/85/319342285.db2.gz BJTICMNOENYERK-WMLDXEAASA-N 2 2 335.423 1.396 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@@H](c3ccccc3F)C2)C1 ZINC000414687053 319342286 /nfs/dbraw/zinc/34/22/86/319342286.db2.gz BJTICMNOENYERK-WMLDXEAASA-N 2 2 335.423 1.396 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCC[C@H](C)C1 ZINC000246010409 443262169 /nfs/dbraw/zinc/26/21/69/443262169.db2.gz JJIFWTAPGJAFKA-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCC[C@H](C)C1 ZINC000246010409 443262173 /nfs/dbraw/zinc/26/21/73/443262173.db2.gz JJIFWTAPGJAFKA-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000246010409 443262176 /nfs/dbraw/zinc/26/21/76/443262176.db2.gz JJIFWTAPGJAFKA-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000246010409 443262181 /nfs/dbraw/zinc/26/21/81/443262181.db2.gz JJIFWTAPGJAFKA-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246126029 443269976 /nfs/dbraw/zinc/26/99/76/443269976.db2.gz IRABHBAMTSKLJN-YHUYYLMFSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246126029 443269983 /nfs/dbraw/zinc/26/99/83/443269983.db2.gz IRABHBAMTSKLJN-YHUYYLMFSA-N 2 2 326.485 1.220 20 0 EDADLP [NH3+]C[C@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000416808760 319461848 /nfs/dbraw/zinc/46/18/48/319461848.db2.gz ACEWIEQQWSPCTC-KBPBESRZSA-N 2 2 338.477 1.158 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416813252 319462776 /nfs/dbraw/zinc/46/27/76/319462776.db2.gz DSYJJSNGNIGRQS-OLZOCXBDSA-N 2 2 326.466 1.015 20 0 EDADLP CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000267016485 443313950 /nfs/dbraw/zinc/31/39/50/443313950.db2.gz BHDGCPUEEZZROT-QGZVFWFLSA-N 2 2 334.464 1.090 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[C@@H]1C[NH3+] ZINC000416930315 319477442 /nfs/dbraw/zinc/47/74/42/319477442.db2.gz KLFUKUJCIJZENA-HOCLYGCPSA-N 2 2 347.463 1.045 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)C[C@@H](C)O1 ZINC000416955650 319485024 /nfs/dbraw/zinc/48/50/24/319485024.db2.gz VWUDPAUTSSXDAL-MGPQQGTHSA-N 2 2 348.438 1.030 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@H+](C)CC1 ZINC000272781075 443442769 /nfs/dbraw/zinc/44/27/69/443442769.db2.gz RLGVCTYNSZUNMX-ZBFHGGJFSA-N 2 2 329.448 1.610 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@@H+](C)CC1 ZINC000272781075 443442773 /nfs/dbraw/zinc/44/27/73/443442773.db2.gz RLGVCTYNSZUNMX-ZBFHGGJFSA-N 2 2 329.448 1.610 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272781546 443443309 /nfs/dbraw/zinc/44/33/09/443443309.db2.gz IRBOOAQCGMKEHI-QGZVFWFLSA-N 2 2 328.416 1.156 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272781546 443443315 /nfs/dbraw/zinc/44/33/15/443443315.db2.gz IRBOOAQCGMKEHI-QGZVFWFLSA-N 2 2 328.416 1.156 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)NCc2cn3ccccc3[nH+]2)CCSC1 ZINC000267251962 443393834 /nfs/dbraw/zinc/39/38/34/443393834.db2.gz ZUSVPYYNROWZGT-INIZCTEOSA-N 2 2 333.461 1.571 20 0 EDADLP CC(=O)NCC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420902874 319656092 /nfs/dbraw/zinc/65/60/92/319656092.db2.gz NICLYOTXZGWLDE-UHFFFAOYSA-N 2 2 345.487 1.867 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000420980981 319663092 /nfs/dbraw/zinc/66/30/92/319663092.db2.gz VMKNHEABVTYDLI-UHFFFAOYSA-N 2 2 332.448 1.307 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279071716 443508477 /nfs/dbraw/zinc/50/84/77/443508477.db2.gz FFHFUCFVOHUYAM-SJLPKXTDSA-N 2 2 333.476 1.859 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279071716 443508479 /nfs/dbraw/zinc/50/84/79/443508479.db2.gz FFHFUCFVOHUYAM-SJLPKXTDSA-N 2 2 333.476 1.859 20 0 EDADLP COC[C@@]1(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]C1 ZINC000423410342 319773185 /nfs/dbraw/zinc/77/31/85/319773185.db2.gz ZZTJLAQGIHBCDZ-SCLBCKFNSA-N 2 2 334.464 1.238 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000423443844 319776020 /nfs/dbraw/zinc/77/60/20/319776020.db2.gz XMNCKUHNMAQGFJ-IXDOHACOSA-N 2 2 345.491 1.096 20 0 EDADLP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423453560 319777496 /nfs/dbraw/zinc/77/74/96/319777496.db2.gz KTRISXQXDCEIFE-YODMDTAWSA-N 2 2 343.880 1.507 20 0 EDADLP Cc1cc(N2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)nc(C)[nH+]1 ZINC000279263634 443544824 /nfs/dbraw/zinc/54/48/24/443544824.db2.gz VIKFSECCCSIRAS-UHFFFAOYSA-N 2 2 328.420 1.534 20 0 EDADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000267721498 443554934 /nfs/dbraw/zinc/55/49/34/443554934.db2.gz YTJHWGYZTPQTGR-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000267721498 443554938 /nfs/dbraw/zinc/55/49/38/443554938.db2.gz YTJHWGYZTPQTGR-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000279712029 443624014 /nfs/dbraw/zinc/62/40/14/443624014.db2.gz KLGGTNRGXGGVDV-SJLPKXTDSA-N 2 2 335.448 1.149 20 0 EDADLP CCOC(=O)[C@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000279712029 443624019 /nfs/dbraw/zinc/62/40/19/443624019.db2.gz KLGGTNRGXGGVDV-SJLPKXTDSA-N 2 2 335.448 1.149 20 0 EDADLP CCOC(=O)[C@](C)(O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000279712029 443624022 /nfs/dbraw/zinc/62/40/22/443624022.db2.gz KLGGTNRGXGGVDV-SJLPKXTDSA-N 2 2 335.448 1.149 20 0 EDADLP CCOC(=O)[C@](C)(O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000279712029 443624025 /nfs/dbraw/zinc/62/40/25/443624025.db2.gz KLGGTNRGXGGVDV-SJLPKXTDSA-N 2 2 335.448 1.149 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000272375854 443607015 /nfs/dbraw/zinc/60/70/15/443607015.db2.gz RRHMCGPPFOFOOF-UHFFFAOYSA-N 2 2 330.432 1.260 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000272375854 443607017 /nfs/dbraw/zinc/60/70/17/443607017.db2.gz RRHMCGPPFOFOOF-UHFFFAOYSA-N 2 2 330.432 1.260 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)cn21 ZINC000433151747 319972283 /nfs/dbraw/zinc/97/22/83/319972283.db2.gz JGFVHEDRIWXXLQ-UHFFFAOYSA-N 3 2 329.448 1.462 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283527141 443654298 /nfs/dbraw/zinc/65/42/98/443654298.db2.gz REDTZDQAXHEFJA-DKLOGILVSA-N 2 2 331.464 1.440 20 0 EDADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000449004031 320173041 /nfs/dbraw/zinc/17/30/41/320173041.db2.gz VFUVLNJGKSKEJG-CRAIPNDOSA-N 2 2 336.501 1.859 20 0 EDADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449398302 320188981 /nfs/dbraw/zinc/18/89/81/320188981.db2.gz XOVXBTULKJATRA-WMZOPIPTSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449398302 320188983 /nfs/dbraw/zinc/18/89/83/320188983.db2.gz XOVXBTULKJATRA-WMZOPIPTSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000449476220 320192254 /nfs/dbraw/zinc/19/22/54/320192254.db2.gz ZLZWFSALTBVFFS-CXAGYDPISA-N 2 2 337.489 1.509 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000449476220 320192256 /nfs/dbraw/zinc/19/22/56/320192256.db2.gz ZLZWFSALTBVFFS-CXAGYDPISA-N 2 2 337.489 1.509 20 0 EDADLP CCn1nccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449499861 320192457 /nfs/dbraw/zinc/19/24/57/320192457.db2.gz MKTXAPNEYCBRQM-SFHVURJKSA-N 2 2 347.507 1.669 20 0 EDADLP CCn1nccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449499861 320192460 /nfs/dbraw/zinc/19/24/60/320192460.db2.gz MKTXAPNEYCBRQM-SFHVURJKSA-N 2 2 347.507 1.669 20 0 EDADLP CCn1nccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449499861 320192463 /nfs/dbraw/zinc/19/24/63/320192463.db2.gz MKTXAPNEYCBRQM-SFHVURJKSA-N 2 2 347.507 1.669 20 0 EDADLP CCn1nccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449499861 320192465 /nfs/dbraw/zinc/19/24/65/320192465.db2.gz MKTXAPNEYCBRQM-SFHVURJKSA-N 2 2 347.507 1.669 20 0 EDADLP COc1cc[nH+]c(CN2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)c1OC ZINC000286221117 443670967 /nfs/dbraw/zinc/67/09/67/443670967.db2.gz CPALXGCIBYKWNH-GJZGRUSLSA-N 2 2 335.448 1.784 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(-n2ccnn2)c1 ZINC000453274420 320261736 /nfs/dbraw/zinc/26/17/36/320261736.db2.gz WFEQDPXWEBSXPW-YJBOKZPZSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(-n2ccnn2)c1 ZINC000453274420 320261737 /nfs/dbraw/zinc/26/17/37/320261737.db2.gz WFEQDPXWEBSXPW-YJBOKZPZSA-N 2 2 329.448 1.765 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000457502171 320328565 /nfs/dbraw/zinc/32/85/65/320328565.db2.gz FJWVRKJOTOXPGT-UHFFFAOYSA-N 2 2 329.448 1.784 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000457502171 320328566 /nfs/dbraw/zinc/32/85/66/320328566.db2.gz FJWVRKJOTOXPGT-UHFFFAOYSA-N 2 2 329.448 1.784 20 0 EDADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000457711842 320332886 /nfs/dbraw/zinc/33/28/86/320332886.db2.gz PUQUXPGJNQZVEL-DZGCQCFKSA-N 2 2 340.493 1.059 20 0 EDADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000457711842 320332887 /nfs/dbraw/zinc/33/28/87/320332887.db2.gz PUQUXPGJNQZVEL-DZGCQCFKSA-N 2 2 340.493 1.059 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]CCC[NH+]2CCOCC2)CCO1 ZINC000459379097 320347738 /nfs/dbraw/zinc/34/77/38/320347738.db2.gz ZTTQQIXHJVWMQY-QGZVFWFLSA-N 2 2 333.476 1.724 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(=O)[nH]n1 ZINC000286292991 443684550 /nfs/dbraw/zinc/68/45/50/443684550.db2.gz WIHQGYQGLPIFKO-YXJHDRRASA-N 2 2 342.443 1.304 20 0 EDADLP COC(=O)[C@@H]1CN(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)C(=O)O1 ZINC000495886322 320399631 /nfs/dbraw/zinc/39/96/31/320399631.db2.gz PAVHCWJSIJEPQR-HNNXBMFYSA-N 2 2 349.387 1.185 20 0 EDADLP Clc1cnn2cc(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cnc12 ZINC000517730923 320451405 /nfs/dbraw/zinc/45/14/05/320451405.db2.gz MOGUKPAJVXWRRH-CABCVRRESA-N 2 2 335.839 1.282 20 0 EDADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000519654741 320470343 /nfs/dbraw/zinc/47/03/43/320470343.db2.gz RXPJDXFCTKMQAB-CQSZACIVSA-N 2 2 337.387 1.673 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc(Cl)c1O ZINC000298500797 443784914 /nfs/dbraw/zinc/78/49/14/443784914.db2.gz QJMTVOJAUNCKSH-ZDUSSCGKSA-N 2 2 327.856 1.780 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc(Cl)c1O ZINC000298500797 443784917 /nfs/dbraw/zinc/78/49/17/443784917.db2.gz QJMTVOJAUNCKSH-ZDUSSCGKSA-N 2 2 327.856 1.780 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000528730859 320560111 /nfs/dbraw/zinc/56/01/11/320560111.db2.gz VCIUODWMBHRHPF-GOSISDBHSA-N 2 2 336.451 1.916 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000528759687 320562336 /nfs/dbraw/zinc/56/23/36/320562336.db2.gz ZLWISXVADBHGNA-YYAJDYIMSA-N 2 2 346.475 1.522 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000276659891 443782130 /nfs/dbraw/zinc/78/21/30/443782130.db2.gz SUIHJUAHKZDDJF-SFHVURJKSA-N 2 2 330.476 1.184 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000298642456 443827306 /nfs/dbraw/zinc/82/73/06/443827306.db2.gz KOLRAANBPSKURW-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(-n4cc[nH+]c4)nc3)[C@H]2C1 ZINC000292739328 443832130 /nfs/dbraw/zinc/83/21/30/443832130.db2.gz AHXNTLMWZDDAJP-DLBZAZTESA-N 2 2 327.432 1.562 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000298678522 443836293 /nfs/dbraw/zinc/83/62/93/443836293.db2.gz WXLATHLVQSYQFB-OAHLLOKOSA-N 2 2 340.493 1.324 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292940792 443883993 /nfs/dbraw/zinc/88/39/93/443883993.db2.gz JVUPYIJDVXDXMI-KUHUBIRLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292940792 443883995 /nfs/dbraw/zinc/88/39/95/443883995.db2.gz JVUPYIJDVXDXMI-KUHUBIRLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292940792 443883999 /nfs/dbraw/zinc/88/39/99/443883999.db2.gz JVUPYIJDVXDXMI-KUHUBIRLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292940792 443884001 /nfs/dbraw/zinc/88/40/01/443884001.db2.gz JVUPYIJDVXDXMI-KUHUBIRLSA-N 2 2 344.459 1.530 20 0 EDADLP COC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000298743808 443856628 /nfs/dbraw/zinc/85/66/28/443856628.db2.gz UEXZUZXNFBJYOE-HUUCEWRRSA-N 2 2 333.432 1.755 20 0 EDADLP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000298743808 443856631 /nfs/dbraw/zinc/85/66/31/443856631.db2.gz UEXZUZXNFBJYOE-HUUCEWRRSA-N 2 2 333.432 1.755 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000281592308 443953084 /nfs/dbraw/zinc/95/30/84/443953084.db2.gz NHKQXLNVBAUESF-CVEARBPZSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000281592308 443953088 /nfs/dbraw/zinc/95/30/88/443953088.db2.gz NHKQXLNVBAUESF-CVEARBPZSA-N 2 2 342.443 1.459 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000281587554 443951934 /nfs/dbraw/zinc/95/19/34/443951934.db2.gz DTVKWJINRAURNR-OAHLLOKOSA-N 2 2 334.851 1.930 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000281587554 443951940 /nfs/dbraw/zinc/95/19/40/443951940.db2.gz DTVKWJINRAURNR-OAHLLOKOSA-N 2 2 334.851 1.930 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOc3ccc(C)cc3C2)CC1 ZINC000285585024 444037922 /nfs/dbraw/zinc/03/79/22/444037922.db2.gz OORKIHOZPXWFNZ-MRXNPFEDSA-N 2 2 331.460 1.742 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOc3ccc(C)cc3C2)CC1 ZINC000285585024 444037927 /nfs/dbraw/zinc/03/79/27/444037927.db2.gz OORKIHOZPXWFNZ-MRXNPFEDSA-N 2 2 331.460 1.742 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1(C)C ZINC000557254640 321001185 /nfs/dbraw/zinc/00/11/85/321001185.db2.gz ILDYLDSGEJYCGT-RRFJBIMHSA-N 2 2 331.464 1.901 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[NH+](C)C)c1 ZINC000561063421 321032181 /nfs/dbraw/zinc/03/21/81/321032181.db2.gz XYJPLMSWAPOZSE-CRAIPNDOSA-N 2 2 342.443 1.873 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000561564706 321042515 /nfs/dbraw/zinc/04/25/15/321042515.db2.gz SLNGIEYNZXPFAU-FVQBIDKESA-N 2 2 347.463 1.233 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000562671790 321068443 /nfs/dbraw/zinc/06/84/43/321068443.db2.gz NIDGAJLAVNLZIL-SQWLQELKSA-N 2 2 332.448 1.962 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)[C@H](C[NH3+])C1 ZINC000562760823 321075189 /nfs/dbraw/zinc/07/51/89/321075189.db2.gz AGKWZRBQEXQRJQ-CQSZACIVSA-N 2 2 341.415 1.981 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)[C@H](C[NH3+])C1 ZINC000562760823 321075190 /nfs/dbraw/zinc/07/51/90/321075190.db2.gz AGKWZRBQEXQRJQ-CQSZACIVSA-N 2 2 341.415 1.981 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000562776435 321076130 /nfs/dbraw/zinc/07/61/30/321076130.db2.gz OZYAWOWSYRMJEW-HNNXBMFYSA-N 2 2 344.521 1.642 20 0 EDADLP CC(C)COc1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000562802816 321076835 /nfs/dbraw/zinc/07/68/35/321076835.db2.gz ALUKJTAUBPYZEA-MRXNPFEDSA-N 2 2 334.464 1.506 20 0 EDADLP CC(C)COc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000562802816 321076836 /nfs/dbraw/zinc/07/68/36/321076836.db2.gz ALUKJTAUBPYZEA-MRXNPFEDSA-N 2 2 334.464 1.506 20 0 EDADLP C[C@H](CC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)n1cc[nH+]c1 ZINC000563239307 321103143 /nfs/dbraw/zinc/10/31/43/321103143.db2.gz MSFOWXRZVMHHRJ-KZNAEPCWSA-N 2 2 347.507 1.851 20 0 EDADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000564824068 321150142 /nfs/dbraw/zinc/15/01/42/321150142.db2.gz SUSTWGKRGNYOJX-DLBZAZTESA-N 3 2 345.491 1.370 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)COCc1cccs1)C[NH+]1CCOCC1 ZINC000564853180 321151430 /nfs/dbraw/zinc/15/14/30/321151430.db2.gz BBCGLSZGDUBQPJ-HUUCEWRRSA-N 2 2 328.478 1.184 20 0 EDADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000564861701 321152536 /nfs/dbraw/zinc/15/25/36/321152536.db2.gz GLYRQGBPNCXTQO-GJZGRUSLSA-N 2 2 332.448 1.470 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299609972 444094109 /nfs/dbraw/zinc/09/41/09/444094109.db2.gz IWGGYQMSDIGAIO-ZFWWWQNUSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299609972 444094111 /nfs/dbraw/zinc/09/41/11/444094111.db2.gz IWGGYQMSDIGAIO-ZFWWWQNUSA-N 2 2 341.415 1.216 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3([S@@](C)=O)CCC3)c2cc1C ZINC000565300503 321180329 /nfs/dbraw/zinc/18/03/29/321180329.db2.gz RNBXAVGFMYFOEF-OYLFLEFRSA-N 2 2 349.500 1.905 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000565321460 321182126 /nfs/dbraw/zinc/18/21/26/321182126.db2.gz LEMNQMIIWOGQBY-SJLPKXTDSA-N 2 2 331.460 1.518 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000565321460 321182128 /nfs/dbraw/zinc/18/21/28/321182128.db2.gz LEMNQMIIWOGQBY-SJLPKXTDSA-N 2 2 331.460 1.518 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000565900137 321205142 /nfs/dbraw/zinc/20/51/42/321205142.db2.gz GVJSDWKNLKALMS-MRXNPFEDSA-N 2 2 341.459 1.527 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000565900137 321205144 /nfs/dbraw/zinc/20/51/44/321205144.db2.gz GVJSDWKNLKALMS-MRXNPFEDSA-N 2 2 341.459 1.527 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000565898747 321205258 /nfs/dbraw/zinc/20/52/58/321205258.db2.gz UJWCXFQBFZXPFW-CKDBGZEDSA-N 2 2 325.497 1.770 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000567490913 321244526 /nfs/dbraw/zinc/24/45/26/321244526.db2.gz XUZFAFZDSYSOSU-YOEHRIQHSA-N 2 2 337.489 1.701 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000567872565 321263713 /nfs/dbraw/zinc/26/37/13/321263713.db2.gz BDVBKGOZXNGCFM-LMCLKVLCSA-N 2 2 336.476 1.038 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](O)Cc1ccccc1 ZINC000567872565 321263714 /nfs/dbraw/zinc/26/37/14/321263714.db2.gz BDVBKGOZXNGCFM-LMCLKVLCSA-N 2 2 336.476 1.038 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000567893101 321266534 /nfs/dbraw/zinc/26/65/34/321266534.db2.gz YGLGKBSHERMVSP-CQSZACIVSA-N 2 2 330.432 1.423 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000567893101 321266536 /nfs/dbraw/zinc/26/65/36/321266536.db2.gz YGLGKBSHERMVSP-CQSZACIVSA-N 2 2 330.432 1.423 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000567974034 321269903 /nfs/dbraw/zinc/26/99/03/321269903.db2.gz MMKKLGAEHRCAOV-KRWDZBQOSA-N 2 2 331.460 1.872 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2nccs2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000568230616 321283380 /nfs/dbraw/zinc/28/33/80/321283380.db2.gz YGCNXIXJYBFEEH-HUUCEWRRSA-N 2 2 345.472 1.517 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2nccs2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000568230616 321283382 /nfs/dbraw/zinc/28/33/82/321283382.db2.gz YGCNXIXJYBFEEH-HUUCEWRRSA-N 2 2 345.472 1.517 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)CC[NH2+]C1 ZINC000568390298 321289095 /nfs/dbraw/zinc/28/90/95/321289095.db2.gz DYOSJDDLBMCBOH-LJQANCHMSA-N 2 2 342.443 1.922 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000568490405 321293694 /nfs/dbraw/zinc/29/36/94/321293694.db2.gz PFRHLHMWFLXVTB-CYBMUJFWSA-N 2 2 331.395 1.810 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N(C)C2CC([NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000568608443 321298944 /nfs/dbraw/zinc/29/89/44/321298944.db2.gz UEFWJESCSBWISS-ABHNRTSZSA-N 2 2 346.475 1.499 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000568849558 321308625 /nfs/dbraw/zinc/30/86/25/321308625.db2.gz KQUVJLMCLWMFAV-MRXNPFEDSA-N 2 2 342.447 1.629 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1C ZINC000568849558 321308626 /nfs/dbraw/zinc/30/86/26/321308626.db2.gz KQUVJLMCLWMFAV-MRXNPFEDSA-N 2 2 342.447 1.629 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000569472152 321326427 /nfs/dbraw/zinc/32/64/27/321326427.db2.gz WZYOABFZWJRWMF-LNLFQRSKSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000569472152 321326428 /nfs/dbraw/zinc/32/64/28/321326428.db2.gz WZYOABFZWJRWMF-LNLFQRSKSA-N 2 2 345.487 1.734 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000294092611 444102438 /nfs/dbraw/zinc/10/24/38/444102438.db2.gz MQJUETNPMFSLQV-GBESFXJTSA-N 2 2 345.487 1.564 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCC1 ZINC000289308983 444103361 /nfs/dbraw/zinc/10/33/61/444103361.db2.gz IZGUNBKQONFUGH-OAHLLOKOSA-N 2 2 330.432 1.367 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCC1 ZINC000289308983 444103362 /nfs/dbraw/zinc/10/33/62/444103362.db2.gz IZGUNBKQONFUGH-OAHLLOKOSA-N 2 2 330.432 1.367 20 0 EDADLP C[C@H](CCOCc1ccccc1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570066440 321336420 /nfs/dbraw/zinc/33/64/20/321336420.db2.gz VRFCJXQIVIZWDZ-WBVHZDCISA-N 2 2 334.464 1.266 20 0 EDADLP C[C@H](CCOCc1ccccc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570066440 321336421 /nfs/dbraw/zinc/33/64/21/321336421.db2.gz VRFCJXQIVIZWDZ-WBVHZDCISA-N 2 2 334.464 1.266 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)C2 ZINC000571386395 321385315 /nfs/dbraw/zinc/38/53/15/321385315.db2.gz PRQNPYQCLHCYBW-RRFJBIMHSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)C2 ZINC000571386395 321385316 /nfs/dbraw/zinc/38/53/16/321385316.db2.gz PRQNPYQCLHCYBW-RRFJBIMHSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)CC2 ZINC000571386395 321385318 /nfs/dbraw/zinc/38/53/18/321385318.db2.gz PRQNPYQCLHCYBW-RRFJBIMHSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)CC2 ZINC000571386395 321385319 /nfs/dbraw/zinc/38/53/19/321385319.db2.gz PRQNPYQCLHCYBW-RRFJBIMHSA-N 2 2 348.491 1.552 20 0 EDADLP C[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000301190137 444153381 /nfs/dbraw/zinc/15/33/81/444153381.db2.gz VUHATDOXGBRWKM-BZUAXINKSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000301190137 444153386 /nfs/dbraw/zinc/15/33/86/444153386.db2.gz VUHATDOXGBRWKM-BZUAXINKSA-N 2 2 333.480 1.970 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000301312700 444163103 /nfs/dbraw/zinc/16/31/03/444163103.db2.gz JDUDBPDRDVOULL-UHFFFAOYSA-N 2 2 346.435 1.720 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000295180726 444169231 /nfs/dbraw/zinc/16/92/31/444169231.db2.gz MSGODZVKOXFXBN-HNNXBMFYSA-N 2 2 346.475 1.392 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1)C1CC1 ZINC000289390151 444127435 /nfs/dbraw/zinc/12/74/35/444127435.db2.gz QUGIUDPGASFGHG-SFHVURJKSA-N 2 2 349.450 1.931 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1)C1CC1 ZINC000289390151 444127437 /nfs/dbraw/zinc/12/74/37/444127437.db2.gz QUGIUDPGASFGHG-SFHVURJKSA-N 2 2 349.450 1.931 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](C)CCc1nc(-c2ccccc2)no1)C1CC1 ZINC000289847885 444210811 /nfs/dbraw/zinc/21/08/11/444210811.db2.gz QFFWFCMXSFEUAD-MRXNPFEDSA-N 2 2 330.432 1.666 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](C)CCc1nc(-c2ccccc2)no1)C1CC1 ZINC000289847885 444210814 /nfs/dbraw/zinc/21/08/14/444210814.db2.gz QFFWFCMXSFEUAD-MRXNPFEDSA-N 2 2 330.432 1.666 20 0 EDADLP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289847885 444210816 /nfs/dbraw/zinc/21/08/16/444210816.db2.gz QFFWFCMXSFEUAD-MRXNPFEDSA-N 2 2 330.432 1.666 20 0 EDADLP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289847885 444210819 /nfs/dbraw/zinc/21/08/19/444210819.db2.gz QFFWFCMXSFEUAD-MRXNPFEDSA-N 2 2 330.432 1.666 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[NH+](C[C@H](C)O)CC1 ZINC000302428661 444213670 /nfs/dbraw/zinc/21/36/70/444213670.db2.gz OFTNDGDPROYRBQ-AWEZNQCLSA-N 2 2 343.427 1.914 20 0 EDADLP COc1nccnc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000296358280 444223056 /nfs/dbraw/zinc/22/30/56/444223056.db2.gz JIBUKROHSYVKCU-UHFFFAOYSA-N 2 2 328.416 1.607 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH2+]C[C@@H]3c3cccnc3)[nH+]c12 ZINC000576111223 321543002 /nfs/dbraw/zinc/54/30/02/321543002.db2.gz PNYBNDYRBXTRKI-QGZVFWFLSA-N 2 2 335.411 1.753 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000296104935 444204882 /nfs/dbraw/zinc/20/48/82/444204882.db2.gz XLIJHPCKQBHBQW-RRFJBIMHSA-N 2 2 334.464 1.904 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000296104935 444204885 /nfs/dbraw/zinc/20/48/85/444204885.db2.gz XLIJHPCKQBHBQW-RRFJBIMHSA-N 2 2 334.464 1.904 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000305099633 444257663 /nfs/dbraw/zinc/25/76/63/444257663.db2.gz YGJYJDPZAUOJAP-OAGGEKHMSA-N 2 2 340.512 1.515 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000305099633 444257665 /nfs/dbraw/zinc/25/76/65/444257665.db2.gz YGJYJDPZAUOJAP-OAGGEKHMSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000290378735 444273569 /nfs/dbraw/zinc/27/35/69/444273569.db2.gz AXOKSRYUMGMFES-WBVHZDCISA-N 2 2 339.505 1.378 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)N(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000290378735 444273570 /nfs/dbraw/zinc/27/35/70/444273570.db2.gz AXOKSRYUMGMFES-WBVHZDCISA-N 2 2 339.505 1.378 20 0 EDADLP O=C1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CN1C1CC1 ZINC000576761736 321594175 /nfs/dbraw/zinc/59/41/75/321594175.db2.gz VYUDXYFBPHUYGK-INIZCTEOSA-N 2 2 328.460 1.647 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCN(CCO)CC2)CC1 ZINC000305201983 444264631 /nfs/dbraw/zinc/26/46/31/444264631.db2.gz NCACBXKOPNSCBW-UHFFFAOYSA-N 2 2 346.519 1.329 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000305474796 444270704 /nfs/dbraw/zinc/27/07/04/444270704.db2.gz ZDVTYUOVYBRHGO-IBGZPJMESA-N 2 2 345.487 1.522 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000305474796 444270705 /nfs/dbraw/zinc/27/07/05/444270705.db2.gz ZDVTYUOVYBRHGO-IBGZPJMESA-N 2 2 345.487 1.522 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302905539 444231077 /nfs/dbraw/zinc/23/10/77/444231077.db2.gz SMIACDXPSVNYGZ-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302905539 444231079 /nfs/dbraw/zinc/23/10/79/444231079.db2.gz SMIACDXPSVNYGZ-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000290027488 444232910 /nfs/dbraw/zinc/23/29/10/444232910.db2.gz RPDOTKGUHSJSJI-ROUUACIJSA-N 2 2 331.460 1.598 20 0 EDADLP O[C@H](CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCOCC1 ZINC000303412339 444237274 /nfs/dbraw/zinc/23/72/74/444237274.db2.gz XYXUZISWONTBGP-OALUTQOASA-N 2 2 339.524 1.268 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087761 444240960 /nfs/dbraw/zinc/24/09/60/444240960.db2.gz VPGKLOLYNZZNSF-HOCLYGCPSA-N 2 2 329.448 1.364 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087761 444240963 /nfs/dbraw/zinc/24/09/63/444240963.db2.gz VPGKLOLYNZZNSF-HOCLYGCPSA-N 2 2 329.448 1.364 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087761 444240964 /nfs/dbraw/zinc/24/09/64/444240964.db2.gz VPGKLOLYNZZNSF-HOCLYGCPSA-N 2 2 329.448 1.364 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087761 444240966 /nfs/dbraw/zinc/24/09/66/444240966.db2.gz VPGKLOLYNZZNSF-HOCLYGCPSA-N 2 2 329.448 1.364 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1C[C@H](C)O ZINC000290641069 444304856 /nfs/dbraw/zinc/30/48/56/444304856.db2.gz JNAQTHWAINDDSF-DZGCQCFKSA-N 2 2 331.420 1.643 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1C[C@H](C)O ZINC000290641069 444304859 /nfs/dbraw/zinc/30/48/59/444304859.db2.gz JNAQTHWAINDDSF-DZGCQCFKSA-N 2 2 331.420 1.643 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290730058 444315900 /nfs/dbraw/zinc/31/59/00/444315900.db2.gz PFRPPAXJNFJRMN-NXOUGTEYSA-N 2 2 349.500 1.784 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290730058 444315902 /nfs/dbraw/zinc/31/59/02/444315902.db2.gz PFRPPAXJNFJRMN-NXOUGTEYSA-N 2 2 349.500 1.784 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290730063 444316250 /nfs/dbraw/zinc/31/62/50/444316250.db2.gz PFRPPAXJNFJRMN-PJSAGSTRSA-N 2 2 349.500 1.784 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000290730063 444316252 /nfs/dbraw/zinc/31/62/52/444316252.db2.gz PFRPPAXJNFJRMN-PJSAGSTRSA-N 2 2 349.500 1.784 20 0 EDADLP Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000297102351 444274742 /nfs/dbraw/zinc/27/47/42/444274742.db2.gz WLCORIFFMWYZPT-ZDUSSCGKSA-N 2 2 331.420 1.733 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000577764567 321681251 /nfs/dbraw/zinc/68/12/51/321681251.db2.gz PQRMKDFPLBEJBI-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCN(c4[nH]cc[nH+]4)CC3)nc[nH+]2)C1 ZINC000290889957 444334988 /nfs/dbraw/zinc/33/49/88/444334988.db2.gz CTIDUMKYDVKZCT-CQSZACIVSA-N 2 2 327.436 1.763 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCN(c4[nH]cc[nH+]4)CC3)[nH+]cn2)C1 ZINC000290889957 444334991 /nfs/dbraw/zinc/33/49/91/444334991.db2.gz CTIDUMKYDVKZCT-CQSZACIVSA-N 2 2 327.436 1.763 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(O)(C(F)F)CC2)CC1 ZINC000331131776 444408843 /nfs/dbraw/zinc/40/88/43/444408843.db2.gz GYXZAKGPJGFIHW-UHFFFAOYSA-N 2 2 333.423 1.067 20 0 EDADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328393939 444387118 /nfs/dbraw/zinc/38/71/18/444387118.db2.gz YRBIDFKGCHVLAC-YUTCNCBUSA-N 2 2 329.366 1.728 20 0 EDADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328393939 444387120 /nfs/dbraw/zinc/38/71/20/444387120.db2.gz YRBIDFKGCHVLAC-YUTCNCBUSA-N 2 2 329.366 1.728 20 0 EDADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000328900790 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ZINC000337600693 445160250 /nfs/dbraw/zinc/16/02/50/445160250.db2.gz NOQQSCNCLPRDNI-LSDHHAIUSA-N 2 2 340.443 1.662 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000346284798 445211346 /nfs/dbraw/zinc/21/13/46/445211346.db2.gz OYLUTABGTWWYRF-RYRKJORJSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000346284798 445211348 /nfs/dbraw/zinc/21/13/48/445211348.db2.gz OYLUTABGTWWYRF-RYRKJORJSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000346284798 445211350 /nfs/dbraw/zinc/21/13/50/445211350.db2.gz OYLUTABGTWWYRF-RYRKJORJSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000346284798 445211351 /nfs/dbraw/zinc/21/13/51/445211351.db2.gz OYLUTABGTWWYRF-RYRKJORJSA-N 2 2 331.460 1.174 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343535509 445239911 /nfs/dbraw/zinc/23/99/11/445239911.db2.gz QDSOJJXNCDBYII-KBPBESRZSA-N 2 2 339.386 1.413 20 0 EDADLP O=C(CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)NCC1CCCCC1 ZINC000354605872 445311720 /nfs/dbraw/zinc/31/17/20/445311720.db2.gz XHSLETFNJNVHRZ-UHFFFAOYSA-N 2 2 333.480 1.614 20 0 EDADLP Cc1nc(CC[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cs1 ZINC000348192459 445311948 /nfs/dbraw/zinc/31/19/48/445311948.db2.gz ZQJNLAWMXROEJJ-UHFFFAOYSA-N 2 2 332.477 1.672 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC000348520098 445312227 /nfs/dbraw/zinc/31/22/27/445312227.db2.gz HWKGQNOIOOWAMP-ROUUACIJSA-N 2 2 331.460 1.488 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1CCCc2[nH+]ccn21)[NH+]1CCN(C)CC1 ZINC000354630924 445321509 /nfs/dbraw/zinc/32/15/09/445321509.db2.gz WRWAGHYXSGHUKS-HOTGVXAUSA-N 2 2 333.480 1.149 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1CCCc2[nH+]ccn21)N1CC[NH+](C)CC1 ZINC000354630924 445321513 /nfs/dbraw/zinc/32/15/13/445321513.db2.gz WRWAGHYXSGHUKS-HOTGVXAUSA-N 2 2 333.480 1.149 20 0 EDADLP CC[C@H](C)NC(=O)C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348110208 445272808 /nfs/dbraw/zinc/27/28/08/445272808.db2.gz BPQSCSDAKWKEJP-RRFJBIMHSA-N 2 2 339.459 1.179 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348110208 445272811 /nfs/dbraw/zinc/27/28/11/445272811.db2.gz BPQSCSDAKWKEJP-RRFJBIMHSA-N 2 2 339.459 1.179 20 0 EDADLP CCOC(=O)CC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348115590 445276067 /nfs/dbraw/zinc/27/60/67/445276067.db2.gz JHDVXZPWCAUHIQ-ZIAGYGMSSA-N 2 2 326.416 1.218 20 0 EDADLP CCOC(=O)CC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348115590 445276070 /nfs/dbraw/zinc/27/60/70/445276070.db2.gz JHDVXZPWCAUHIQ-ZIAGYGMSSA-N 2 2 326.416 1.218 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[N@@H+]1C ZINC000343650628 445283092 /nfs/dbraw/zinc/28/30/92/445283092.db2.gz KADJTSYEEVSHNL-ZBFHGGJFSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[N@H+]1C ZINC000343650628 445283093 /nfs/dbraw/zinc/28/30/93/445283093.db2.gz KADJTSYEEVSHNL-ZBFHGGJFSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCCOC1 ZINC000348141590 445287346 /nfs/dbraw/zinc/28/73/46/445287346.db2.gz ZBMZZTYONBEGTP-CVEARBPZSA-N 2 2 335.448 1.329 20 0 EDADLP CCO[C@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351817021 445331876 /nfs/dbraw/zinc/33/18/76/445331876.db2.gz TWYCBWKWTAOGPJ-PMACEKPBSA-N 2 2 347.503 1.982 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000362390672 445357669 /nfs/dbraw/zinc/35/76/69/445357669.db2.gz TVGRAAIFJOIEAJ-QRQLOZEOSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000362390672 445357670 /nfs/dbraw/zinc/35/76/70/445357670.db2.gz TVGRAAIFJOIEAJ-QRQLOZEOSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1cc(NC[C@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)nc(C2CC2)[nH+]1 ZINC000359663789 445364202 /nfs/dbraw/zinc/36/42/02/445364202.db2.gz NSIKGCKDOZAPNB-HZPDHXFCSA-N 2 2 344.438 2.420 20 0 EDADLP Cc1cc(NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)nc(C2CC2)[nH+]1 ZINC000359663789 445364205 /nfs/dbraw/zinc/36/42/05/445364205.db2.gz NSIKGCKDOZAPNB-HZPDHXFCSA-N 2 2 344.438 2.420 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348237426 445324871 /nfs/dbraw/zinc/32/48/71/445324871.db2.gz CZLBLDSLYYIMIX-VQTJNVASSA-N 2 2 331.504 1.770 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000354647151 445326044 /nfs/dbraw/zinc/32/60/44/445326044.db2.gz UGKPVWNPTXJOIQ-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000354647151 445326047 /nfs/dbraw/zinc/32/60/47/445326047.db2.gz UGKPVWNPTXJOIQ-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000354647151 445326051 /nfs/dbraw/zinc/32/60/51/445326051.db2.gz UGKPVWNPTXJOIQ-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000354647151 445326053 /nfs/dbraw/zinc/32/60/53/445326053.db2.gz UGKPVWNPTXJOIQ-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357083077 445416264 /nfs/dbraw/zinc/41/62/64/445416264.db2.gz ILYVDOWRECDHBX-RBUKOAKNSA-N 2 2 345.487 1.769 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357083077 445416269 /nfs/dbraw/zinc/41/62/69/445416269.db2.gz ILYVDOWRECDHBX-RBUKOAKNSA-N 2 2 345.487 1.769 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000348900040 445434721 /nfs/dbraw/zinc/43/47/21/445434721.db2.gz KOEQGKXFMCHHLS-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000348900040 445434723 /nfs/dbraw/zinc/43/47/23/445434723.db2.gz KOEQGKXFMCHHLS-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000348900040 445434725 /nfs/dbraw/zinc/43/47/25/445434725.db2.gz KOEQGKXFMCHHLS-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000348900040 445434726 /nfs/dbraw/zinc/43/47/26/445434726.db2.gz KOEQGKXFMCHHLS-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357118497 445437434 /nfs/dbraw/zinc/43/74/34/445437434.db2.gz QMHLPFPUXGQGOB-HNNXBMFYSA-N 2 2 329.404 1.108 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357118497 445437436 /nfs/dbraw/zinc/43/74/36/445437436.db2.gz QMHLPFPUXGQGOB-HNNXBMFYSA-N 2 2 329.404 1.108 20 0 EDADLP CCc1ncc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000348918903 445440265 /nfs/dbraw/zinc/44/02/65/445440265.db2.gz DIPNOOFIOIYROP-UHFFFAOYSA-N 2 2 336.505 1.692 20 0 EDADLP CS[C@@H](C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355088944 445442701 /nfs/dbraw/zinc/44/27/01/445442701.db2.gz OYZDJMYMFOANQP-KBPBESRZSA-N 2 2 328.526 1.548 20 0 EDADLP CS[C@@H](C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355088944 445442704 /nfs/dbraw/zinc/44/27/04/445442704.db2.gz OYZDJMYMFOANQP-KBPBESRZSA-N 2 2 328.526 1.548 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357141919 445451521 /nfs/dbraw/zinc/45/15/21/445451521.db2.gz GNVPALXERVHKOL-VXGBXAGGSA-N 2 2 332.370 1.711 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357141919 445451524 /nfs/dbraw/zinc/45/15/24/445451524.db2.gz GNVPALXERVHKOL-VXGBXAGGSA-N 2 2 332.370 1.711 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000352040657 445455767 /nfs/dbraw/zinc/45/57/67/445455767.db2.gz RBQNXTKIWOOZIE-RDJZCZTQSA-N 2 2 343.537 1.477 20 0 EDADLP Cc1cc(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000362614634 445464505 /nfs/dbraw/zinc/46/45/05/445464505.db2.gz HEIWUKULSOMYBH-UHFFFAOYSA-N 2 2 332.448 1.778 20 0 EDADLP CC(C)OCC[C@@H](O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000349212271 445536580 /nfs/dbraw/zinc/53/65/80/445536580.db2.gz IEJZLISKNDFGPQ-GOSISDBHSA-N 2 2 338.496 1.455 20 0 EDADLP CC(C)OCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000349212271 445536581 /nfs/dbraw/zinc/53/65/81/445536581.db2.gz IEJZLISKNDFGPQ-GOSISDBHSA-N 2 2 338.496 1.455 20 0 EDADLP COCCOc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362666082 445487363 /nfs/dbraw/zinc/48/73/63/445487363.db2.gz FFUJXQKYEXPIKT-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP COCCOc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362666082 445487367 /nfs/dbraw/zinc/48/73/67/445487367.db2.gz FFUJXQKYEXPIKT-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP CCC[C@@H]1CN(S(=O)(=O)CC[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000352093391 445488156 /nfs/dbraw/zinc/48/81/56/445488156.db2.gz PMFLCAMITLEFCL-MRXNPFEDSA-N 2 2 349.541 1.091 20 0 EDADLP CCC[C@@H]1CN(S(=O)(=O)CC[NH+](CC)CC)CC[N@H+]1CCOC ZINC000352093391 445488158 /nfs/dbraw/zinc/48/81/58/445488158.db2.gz PMFLCAMITLEFCL-MRXNPFEDSA-N 2 2 349.541 1.091 20 0 EDADLP CC[C@@H]1C[N@H+](CCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)CCO1 ZINC000362674079 445493054 /nfs/dbraw/zinc/49/30/54/445493054.db2.gz PPOMVLCBXJYEDT-LSDHHAIUSA-N 2 2 335.452 1.590 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)CCO1 ZINC000362674079 445493058 /nfs/dbraw/zinc/49/30/58/445493058.db2.gz PPOMVLCBXJYEDT-LSDHHAIUSA-N 2 2 335.452 1.590 20 0 EDADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)[N@H+](C)Cc1ccccc1 ZINC000357237252 445498860 /nfs/dbraw/zinc/49/88/60/445498860.db2.gz GXPOHWXGMIMUCY-DOTOQJQBSA-N 2 2 341.459 1.414 20 0 EDADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)[N@@H+](C)Cc1ccccc1 ZINC000357237252 445498864 /nfs/dbraw/zinc/49/88/64/445498864.db2.gz GXPOHWXGMIMUCY-DOTOQJQBSA-N 2 2 341.459 1.414 20 0 EDADLP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)C1CCN(c2cccc[nH+]2)CC1 ZINC000362690510 445502055 /nfs/dbraw/zinc/50/20/55/445502055.db2.gz UVINRHVFLUPODU-MRXNPFEDSA-N 2 2 328.460 1.899 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000357248259 445506860 /nfs/dbraw/zinc/50/68/60/445506860.db2.gz CRSAGKMZDYLHST-GJZGRUSLSA-N 2 2 349.479 1.000 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000357248259 445506864 /nfs/dbraw/zinc/50/68/64/445506864.db2.gz CRSAGKMZDYLHST-GJZGRUSLSA-N 2 2 349.479 1.000 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000362700201 445507390 /nfs/dbraw/zinc/50/73/90/445507390.db2.gz YJSCUQMQUKXOLP-AWEZNQCLSA-N 2 2 339.386 1.684 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000362700201 445507394 /nfs/dbraw/zinc/50/73/94/445507394.db2.gz YJSCUQMQUKXOLP-AWEZNQCLSA-N 2 2 339.386 1.684 20 0 EDADLP C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000349325504 445564501 /nfs/dbraw/zinc/56/45/01/445564501.db2.gz ROBGWBQABSYJMY-CQSZACIVSA-N 2 2 344.463 1.874 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000360122041 445578957 /nfs/dbraw/zinc/57/89/57/445578957.db2.gz FVIPRUFVJHRWIF-CYBMUJFWSA-N 2 2 332.404 1.116 20 0 EDADLP CCC[N@H+](CCC[NH+](C)C)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000349419267 445583641 /nfs/dbraw/zinc/58/36/41/445583641.db2.gz OQFYVYLUIBFXJV-UHFFFAOYSA-N 2 2 337.512 1.729 20 0 EDADLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000349419267 445583645 /nfs/dbraw/zinc/58/36/45/445583645.db2.gz OQFYVYLUIBFXJV-UHFFFAOYSA-N 2 2 337.512 1.729 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC2)cc[nH+]1 ZINC000360133155 445585805 /nfs/dbraw/zinc/58/58/05/445585805.db2.gz BIARCYBOFFXCSP-AWEZNQCLSA-N 2 2 334.468 1.345 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC2)cc[nH+]1 ZINC000360133155 445585809 /nfs/dbraw/zinc/58/58/09/445585809.db2.gz BIARCYBOFFXCSP-AWEZNQCLSA-N 2 2 334.468 1.345 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000349250254 445546091 /nfs/dbraw/zinc/54/60/91/445546091.db2.gz YSJCMFJGLXVXAF-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000349250254 445546094 /nfs/dbraw/zinc/54/60/94/445546094.db2.gz YSJCMFJGLXVXAF-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)N1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1=O ZINC000358146513 445608186 /nfs/dbraw/zinc/60/81/86/445608186.db2.gz DBRHGJPJWUBXTD-NJAFHUGGSA-N 2 2 330.476 1.891 20 0 EDADLP CC(C)N1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1=O ZINC000358146513 445608192 /nfs/dbraw/zinc/60/81/92/445608192.db2.gz DBRHGJPJWUBXTD-NJAFHUGGSA-N 2 2 330.476 1.891 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000353465339 445614190 /nfs/dbraw/zinc/61/41/90/445614190.db2.gz DOIRSWXDYOESQF-QYZOEREBSA-N 2 2 345.487 1.873 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]([NH3+])C(C)C)CC2 ZINC000353468644 445615839 /nfs/dbraw/zinc/61/58/39/445615839.db2.gz DSPWYHJDWCKLFF-QGZVFWFLSA-N 2 2 335.448 1.161 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]([NH3+])C(C)C)CC2 ZINC000353468644 445615843 /nfs/dbraw/zinc/61/58/43/445615843.db2.gz DSPWYHJDWCKLFF-QGZVFWFLSA-N 2 2 335.448 1.161 20 0 EDADLP C[C@@H](CNC(=O)[C@@]1([NH+](C)C)CCc2ccccc21)[NH+]1CCOCC1 ZINC000362956980 445628076 /nfs/dbraw/zinc/62/80/76/445628076.db2.gz AJKALCGNAMLKPD-HNAYVOBHSA-N 2 2 331.460 1.227 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCCC[NH+]1CCOCC1 ZINC000360311436 445690332 /nfs/dbraw/zinc/69/03/32/445690332.db2.gz UXNVHKDOJWVSMQ-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCCC[NH+]1CCOCC1 ZINC000360311436 445690336 /nfs/dbraw/zinc/69/03/36/445690336.db2.gz UXNVHKDOJWVSMQ-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000349867593 445703524 /nfs/dbraw/zinc/70/35/24/445703524.db2.gz KAJGKLKQLBZXHO-FUHWJXTLSA-N 2 2 348.491 1.618 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)[NH+]1C ZINC000358678450 445711742 /nfs/dbraw/zinc/71/17/42/445711742.db2.gz DUNGSHJYDQMJHQ-HZPDHXFCSA-N 2 2 331.460 1.683 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OC ZINC000360583976 445716049 /nfs/dbraw/zinc/71/60/49/445716049.db2.gz PFPYTUBRULLXFH-GOEBONIOSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OC ZINC000360583976 445716051 /nfs/dbraw/zinc/71/60/51/445716051.db2.gz PFPYTUBRULLXFH-GOEBONIOSA-N 2 2 326.485 1.221 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000363209601 445722640 /nfs/dbraw/zinc/72/26/40/445722640.db2.gz RLNGSBZQVAJNSG-YHWZYXNKSA-N 2 2 332.404 1.018 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000363209601 445722646 /nfs/dbraw/zinc/72/26/46/445722646.db2.gz RLNGSBZQVAJNSG-YHWZYXNKSA-N 2 2 332.404 1.018 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356320142 445733746 /nfs/dbraw/zinc/73/37/46/445733746.db2.gz RUVIRDAIQGDCMY-OAHLLOKOSA-N 2 2 332.448 1.968 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743308 445736118 /nfs/dbraw/zinc/73/61/18/445736118.db2.gz CJRPGYNNRWBCMQ-FUHWJXTLSA-N 3 2 346.523 1.533 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743308 445736123 /nfs/dbraw/zinc/73/61/23/445736123.db2.gz CJRPGYNNRWBCMQ-FUHWJXTLSA-N 3 2 346.523 1.533 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743308 445736128 /nfs/dbraw/zinc/73/61/28/445736128.db2.gz CJRPGYNNRWBCMQ-FUHWJXTLSA-N 3 2 346.523 1.533 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743308 445736133 /nfs/dbraw/zinc/73/61/33/445736133.db2.gz CJRPGYNNRWBCMQ-FUHWJXTLSA-N 3 2 346.523 1.533 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n(C)c1C ZINC000360953104 445740439 /nfs/dbraw/zinc/74/04/39/445740439.db2.gz FLIOKRDDZPNQEU-ZIAGYGMSSA-N 2 2 337.464 1.709 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000358747332 445755450 /nfs/dbraw/zinc/75/54/50/445755450.db2.gz HMIPAEBVKJYWTC-QZTJIDSGSA-N 2 2 339.443 1.495 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000358747332 445755451 /nfs/dbraw/zinc/75/54/51/445755451.db2.gz HMIPAEBVKJYWTC-QZTJIDSGSA-N 2 2 339.443 1.495 20 0 EDADLP C[C@H](C[NH2+][C@@H](c1ccccc1)c1ccncn1)N1CC[NH+](C)CC1 ZINC000358750099 445756844 /nfs/dbraw/zinc/75/68/44/445756844.db2.gz HARYMRJOFRJPBZ-APWZRJJASA-N 2 2 325.460 1.792 20 0 EDADLP CC(C)Oc1cccc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000363494217 445831384 /nfs/dbraw/zinc/83/13/84/445831384.db2.gz ZZEXDQDSRHUWEE-HXUWFJFHSA-N 2 2 347.503 1.922 20 0 EDADLP CC(C)Oc1cccc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000363494217 445831389 /nfs/dbraw/zinc/83/13/89/445831389.db2.gz ZZEXDQDSRHUWEE-HXUWFJFHSA-N 2 2 347.503 1.922 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3cccc(C=O)c3)C2)CC1 ZINC000363352840 445777991 /nfs/dbraw/zinc/77/79/91/445777991.db2.gz PQRGFMMWSARZSL-INIZCTEOSA-N 2 2 345.443 1.163 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3cccc(C=O)c3)C2)CC1 ZINC000363352840 445777993 /nfs/dbraw/zinc/77/79/93/445777993.db2.gz PQRGFMMWSARZSL-INIZCTEOSA-N 2 2 345.443 1.163 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363461729 445813892 /nfs/dbraw/zinc/81/38/92/445813892.db2.gz XFRRAMNBEUHWKB-GJZGRUSLSA-N 2 2 333.480 1.967 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363461729 445813896 /nfs/dbraw/zinc/81/38/96/445813896.db2.gz XFRRAMNBEUHWKB-GJZGRUSLSA-N 2 2 333.480 1.967 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C(F)F)CC2)C1 ZINC000361694034 445881412 /nfs/dbraw/zinc/88/14/12/445881412.db2.gz WEXDUZQKBYGCFM-OAHLLOKOSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C(F)F)CC2)C1 ZINC000361694034 445881417 /nfs/dbraw/zinc/88/14/17/445881417.db2.gz WEXDUZQKBYGCFM-OAHLLOKOSA-N 2 2 347.450 1.437 20 0 EDADLP C[C@@H](CNC(=O)[C@@]1([NH+](C)C)CCc2ccccc21)C[NH+]1CCOCC1 ZINC000363544492 445852884 /nfs/dbraw/zinc/85/28/84/445852884.db2.gz KBFSFYAPDHYWKI-OXJNMPFZSA-N 2 2 345.487 1.474 20 0 EDADLP C[C@@H]1CCSCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364479822 445926258 /nfs/dbraw/zinc/92/62/58/445926258.db2.gz PAXWXMCBMSSLPS-CABCVRRESA-N 2 2 340.537 1.692 20 0 EDADLP C[C@@H]1CCSCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364479822 445926260 /nfs/dbraw/zinc/92/62/60/445926260.db2.gz PAXWXMCBMSSLPS-CABCVRRESA-N 2 2 340.537 1.692 20 0 EDADLP CN(C(=O)NCCCn1cccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364283415 445907428 /nfs/dbraw/zinc/90/74/28/445907428.db2.gz ZDTKTMCEJRTSQG-QGZVFWFLSA-N 2 2 348.495 1.083 20 0 EDADLP CN(C(=O)NCCCn1cccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364283415 445907431 /nfs/dbraw/zinc/90/74/31/445907431.db2.gz ZDTKTMCEJRTSQG-QGZVFWFLSA-N 2 2 348.495 1.083 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000354179505 445975320 /nfs/dbraw/zinc/97/53/20/445975320.db2.gz JWTPCLVHWCKHMA-UHFFFAOYSA-N 2 2 343.471 1.687 20 0 EDADLP CCOC(=O)c1csc(C2CC[NH+](C[C@@](C)(O)C[NH2+]C)CC2)n1 ZINC000582610929 325886988 /nfs/dbraw/zinc/88/69/88/325886988.db2.gz FIMAQZJSHBCIHT-INIZCTEOSA-N 2 2 341.477 1.470 20 0 EDADLP Cc1cc(N2CCC[N@@H+](CC(=O)NC(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000361832382 445988246 /nfs/dbraw/zinc/98/82/46/445988246.db2.gz WBNFJLSJNDAEFS-UHFFFAOYSA-N 2 2 331.464 1.699 20 0 EDADLP Cc1cc(N2CCC[N@H+](CC(=O)NC(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000361832382 445988254 /nfs/dbraw/zinc/98/82/54/445988254.db2.gz WBNFJLSJNDAEFS-UHFFFAOYSA-N 2 2 331.464 1.699 20 0 EDADLP O=C(NC1CC[NH+](Cc2cscn2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369208758 445994844 /nfs/dbraw/zinc/99/48/44/445994844.db2.gz BDHAVZOLUBQWCO-MRXNPFEDSA-N 2 2 349.504 1.597 20 0 EDADLP O=C(NC1CC[NH+](Cc2cscn2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000369208758 445994851 /nfs/dbraw/zinc/99/48/51/445994851.db2.gz BDHAVZOLUBQWCO-MRXNPFEDSA-N 2 2 349.504 1.597 20 0 EDADLP CN1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000365994005 445949842 /nfs/dbraw/zinc/94/98/42/445949842.db2.gz FEYQMPOQEPQUST-MRXNPFEDSA-N 2 2 327.432 1.600 20 0 EDADLP CCCc1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000369241694 446016399 /nfs/dbraw/zinc/01/63/99/446016399.db2.gz HODZBFVFWUOFPL-HNNXBMFYSA-N 2 2 343.479 1.657 20 0 EDADLP CCCc1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000369241694 446016405 /nfs/dbraw/zinc/01/64/05/446016405.db2.gz HODZBFVFWUOFPL-HNNXBMFYSA-N 2 2 343.479 1.657 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000354224020 446020012 /nfs/dbraw/zinc/02/00/12/446020012.db2.gz MTMUEVSMRKBWCT-DLBZAZTESA-N 2 2 333.476 1.986 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000354224020 446020017 /nfs/dbraw/zinc/02/00/17/446020017.db2.gz MTMUEVSMRKBWCT-DLBZAZTESA-N 2 2 333.476 1.986 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000354224020 446020022 /nfs/dbraw/zinc/02/00/22/446020022.db2.gz MTMUEVSMRKBWCT-DLBZAZTESA-N 2 2 333.476 1.986 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000354224020 446020028 /nfs/dbraw/zinc/02/00/28/446020028.db2.gz MTMUEVSMRKBWCT-DLBZAZTESA-N 2 2 333.476 1.986 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000351268815 446022153 /nfs/dbraw/zinc/02/21/53/446022153.db2.gz KVTFOOJWXWAELO-IRXDYDNUSA-N 2 2 335.492 1.622 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CCC[C@@H]21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000351268815 446022158 /nfs/dbraw/zinc/02/21/58/446022158.db2.gz KVTFOOJWXWAELO-IRXDYDNUSA-N 2 2 335.492 1.622 20 0 EDADLP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)CCO1 ZINC000366115199 446022201 /nfs/dbraw/zinc/02/22/01/446022201.db2.gz IIQHIZQZVHNFNL-ZIAGYGMSSA-N 2 2 347.463 1.162 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)CCO1 ZINC000366115199 446022206 /nfs/dbraw/zinc/02/22/06/446022206.db2.gz IIQHIZQZVHNFNL-ZIAGYGMSSA-N 2 2 347.463 1.162 20 0 EDADLP C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)CCO1 ZINC000366115199 446022209 /nfs/dbraw/zinc/02/22/09/446022209.db2.gz IIQHIZQZVHNFNL-ZIAGYGMSSA-N 2 2 347.463 1.162 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)[NH+](C)C ZINC000351333974 446034449 /nfs/dbraw/zinc/03/44/49/446034449.db2.gz CZMJAOOYMGFXGM-OFQRWUPVSA-N 2 2 339.459 1.035 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(NC(N)=O)c3)C2)CC1 ZINC000369272796 446037263 /nfs/dbraw/zinc/03/72/63/446037263.db2.gz CWQGGRSLPWAZRL-HNNXBMFYSA-N 2 2 345.447 1.076 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(NC(N)=O)c3)C2)CC1 ZINC000369272796 446037266 /nfs/dbraw/zinc/03/72/66/446037266.db2.gz CWQGGRSLPWAZRL-HNNXBMFYSA-N 2 2 345.447 1.076 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)C2)CC1 ZINC000369274201 446041124 /nfs/dbraw/zinc/04/11/24/446041124.db2.gz NFGNAMNQVZOUHB-WFVVYAPDSA-N 2 2 347.503 1.667 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)C2)CC1 ZINC000369274201 446041128 /nfs/dbraw/zinc/04/11/28/446041128.db2.gz NFGNAMNQVZOUHB-WFVVYAPDSA-N 2 2 347.503 1.667 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000369277955 446044319 /nfs/dbraw/zinc/04/43/19/446044319.db2.gz OOZXLNFEGQYIHF-OAHLLOKOSA-N 2 2 331.464 1.046 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000369277955 446044325 /nfs/dbraw/zinc/04/43/25/446044325.db2.gz OOZXLNFEGQYIHF-OAHLLOKOSA-N 2 2 331.464 1.046 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000365149302 446053621 /nfs/dbraw/zinc/05/36/21/446053621.db2.gz VGMSVOHWODPFQQ-GJZGRUSLSA-N 2 2 325.478 1.906 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H]1CCS(=O)(=O)C1 ZINC000365149302 446053622 /nfs/dbraw/zinc/05/36/22/446053622.db2.gz VGMSVOHWODPFQQ-GJZGRUSLSA-N 2 2 325.478 1.906 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000583603398 326101873 /nfs/dbraw/zinc/10/18/73/326101873.db2.gz BEPSYQHNJPGEQT-CHWSQXEVSA-N 2 2 332.370 1.896 20 0 EDADLP O=C1[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCN1CC(F)(F)F ZINC000583638842 326110183 /nfs/dbraw/zinc/11/01/83/326110183.db2.gz LKTHIBSRMFXERM-LLVKDONJSA-N 2 2 331.342 1.085 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1OC ZINC000351474783 446075319 /nfs/dbraw/zinc/07/53/19/446075319.db2.gz GUDPKWMSJOHHLU-IACUBPJLSA-N 2 2 349.431 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1OC ZINC000351474783 446075328 /nfs/dbraw/zinc/07/53/28/446075328.db2.gz GUDPKWMSJOHHLU-IACUBPJLSA-N 2 2 349.431 1.320 20 0 EDADLP CCC[N@H+](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000359242895 446075857 /nfs/dbraw/zinc/07/58/57/446075857.db2.gz VJTRUOPWKCEMMS-CQSZACIVSA-N 2 2 325.478 1.579 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000359242895 446075866 /nfs/dbraw/zinc/07/58/66/446075866.db2.gz VJTRUOPWKCEMMS-CQSZACIVSA-N 2 2 325.478 1.579 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351490726 446092811 /nfs/dbraw/zinc/09/28/11/446092811.db2.gz IWTVOFXHOLSNSA-IMJJTQAJSA-N 2 2 330.432 1.044 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351490726 446092817 /nfs/dbraw/zinc/09/28/17/446092817.db2.gz IWTVOFXHOLSNSA-IMJJTQAJSA-N 2 2 330.432 1.044 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3ccccc3F)C2)CC1 ZINC000365258985 446107105 /nfs/dbraw/zinc/10/71/05/446107105.db2.gz ISFJYNWLTKOFDO-INIZCTEOSA-N 2 2 348.466 1.836 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3ccccc3F)C2)CC1 ZINC000365258985 446107111 /nfs/dbraw/zinc/10/71/11/446107111.db2.gz ISFJYNWLTKOFDO-INIZCTEOSA-N 2 2 348.466 1.836 20 0 EDADLP Cc1cc(N2CCO[C@H](CN3CC[NH+](C)CC3)C2)nc(C2CC2)[nH+]1 ZINC000369370530 446111271 /nfs/dbraw/zinc/11/12/71/446111271.db2.gz PPQCWOMKVSGXNF-MRXNPFEDSA-N 2 2 331.464 1.115 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000366284701 446127719 /nfs/dbraw/zinc/12/77/19/446127719.db2.gz RCZJXMIGKPLBOW-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000366284701 446127729 /nfs/dbraw/zinc/12/77/29/446127729.db2.gz RCZJXMIGKPLBOW-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366284701 446127736 /nfs/dbraw/zinc/12/77/36/446127736.db2.gz RCZJXMIGKPLBOW-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366284701 446127740 /nfs/dbraw/zinc/12/77/40/446127740.db2.gz RCZJXMIGKPLBOW-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC000369967275 446170595 /nfs/dbraw/zinc/17/05/95/446170595.db2.gz MPTRITVBGDRISK-FUHWJXTLSA-N 3 2 336.524 1.345 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC000369967275 446170602 /nfs/dbraw/zinc/17/06/02/446170602.db2.gz MPTRITVBGDRISK-FUHWJXTLSA-N 3 2 336.524 1.345 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000369967275 446170609 /nfs/dbraw/zinc/17/06/09/446170609.db2.gz MPTRITVBGDRISK-FUHWJXTLSA-N 3 2 336.524 1.345 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000369967275 446170616 /nfs/dbraw/zinc/17/06/16/446170616.db2.gz MPTRITVBGDRISK-FUHWJXTLSA-N 3 2 336.524 1.345 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000354401625 446179914 /nfs/dbraw/zinc/17/99/14/446179914.db2.gz OEZVEBGLIAWANY-GJZGRUSLSA-N 2 2 327.469 1.249 20 0 EDADLP COC[C@@H]1CCCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000373364945 446183413 /nfs/dbraw/zinc/18/34/13/446183413.db2.gz VLMOKNGODHSCFQ-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000359325406 446151790 /nfs/dbraw/zinc/15/17/90/446151790.db2.gz KUHRSKPXIUQDDE-DJIMGWMZSA-N 2 2 325.497 1.722 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000359325406 446151794 /nfs/dbraw/zinc/15/17/94/446151794.db2.gz KUHRSKPXIUQDDE-DJIMGWMZSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@H]1C[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000356956067 446157552 /nfs/dbraw/zinc/15/75/52/446157552.db2.gz QSLINJNTTKTULY-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000354432311 446200642 /nfs/dbraw/zinc/20/06/42/446200642.db2.gz ZUDHCKOFCZCYIV-LSDHHAIUSA-N 2 2 348.495 1.770 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000354432311 446200643 /nfs/dbraw/zinc/20/06/43/446200643.db2.gz ZUDHCKOFCZCYIV-LSDHHAIUSA-N 2 2 348.495 1.770 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[N@@H+]1C1CC1 ZINC000370276680 446209394 /nfs/dbraw/zinc/20/93/94/446209394.db2.gz YCRSFVCKXRGKSK-DZGCQCFKSA-N 2 2 340.431 1.692 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[N@H+]1C1CC1 ZINC000370276680 446209402 /nfs/dbraw/zinc/20/94/02/446209402.db2.gz YCRSFVCKXRGKSK-DZGCQCFKSA-N 2 2 340.431 1.692 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2nnnn2CC2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000365454587 446215353 /nfs/dbraw/zinc/21/53/53/446215353.db2.gz BEZPINGNUQVKCL-ZBFHGGJFSA-N 2 2 345.451 1.379 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2nnnn2CC2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000365454587 446215359 /nfs/dbraw/zinc/21/53/59/446215359.db2.gz BEZPINGNUQVKCL-ZBFHGGJFSA-N 2 2 345.451 1.379 20 0 EDADLP COCC1(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)CC[NH2+]CC1 ZINC000366445894 446218262 /nfs/dbraw/zinc/21/82/62/446218262.db2.gz IODMVZWZTLDQNQ-UHFFFAOYSA-N 2 2 346.475 1.525 20 0 EDADLP C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370323560 446230063 /nfs/dbraw/zinc/23/00/63/446230063.db2.gz FUMYLTIOVRFOFY-LSDHHAIUSA-N 2 2 348.516 1.847 20 0 EDADLP C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370323560 446230068 /nfs/dbraw/zinc/23/00/68/446230068.db2.gz FUMYLTIOVRFOFY-LSDHHAIUSA-N 2 2 348.516 1.847 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC([C@@H]4CCOC4)C3)c2cc1C ZINC000366490754 446235713 /nfs/dbraw/zinc/23/57/13/446235713.db2.gz JIMZRWFYYOGFGS-NVXWUHKLSA-N 2 2 329.444 1.982 20 0 EDADLP c1cncc([C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C2CCC2)c1 ZINC000366493055 446236422 /nfs/dbraw/zinc/23/64/22/446236422.db2.gz WOCSNKFAFPSELC-PMACEKPBSA-N 2 2 344.503 1.919 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000365524018 446240868 /nfs/dbraw/zinc/24/08/68/446240868.db2.gz BYURGKWMFDILKF-KRWDZBQOSA-N 2 2 347.507 1.717 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000365524018 446240872 /nfs/dbraw/zinc/24/08/72/446240872.db2.gz BYURGKWMFDILKF-KRWDZBQOSA-N 2 2 347.507 1.717 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)c1[nH+]cnc2[nH]ccc21 ZINC000366509502 446242449 /nfs/dbraw/zinc/24/24/49/446242449.db2.gz UTHMEIBQBKQQPV-KBPBESRZSA-N 2 2 343.410 1.740 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)c1[nH+]cnc2[nH]ccc21 ZINC000366509502 446242452 /nfs/dbraw/zinc/24/24/52/446242452.db2.gz UTHMEIBQBKQQPV-KBPBESRZSA-N 2 2 343.410 1.740 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000373537123 446252463 /nfs/dbraw/zinc/25/24/63/446252463.db2.gz JBIQQIFCXQEUGF-NQYYFHDYSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000373537123 446252468 /nfs/dbraw/zinc/25/24/68/446252468.db2.gz JBIQQIFCXQEUGF-NQYYFHDYSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000373537123 446252470 /nfs/dbraw/zinc/25/24/70/446252470.db2.gz JBIQQIFCXQEUGF-NQYYFHDYSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000373537123 446252473 /nfs/dbraw/zinc/25/24/73/446252473.db2.gz JBIQQIFCXQEUGF-NQYYFHDYSA-N 2 2 347.503 1.573 20 0 EDADLP c1cn(C2CCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)CC2)c[nH+]1 ZINC000366665321 446300608 /nfs/dbraw/zinc/30/06/08/446300608.db2.gz QOYOUQFCVZYXGT-AWEZNQCLSA-N 2 2 328.420 2.106 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000373711970 446310052 /nfs/dbraw/zinc/31/00/52/446310052.db2.gz DWQQRPVXNABHHX-UXLLHSPISA-N 2 2 334.464 1.453 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000373711970 446310055 /nfs/dbraw/zinc/31/00/55/446310055.db2.gz DWQQRPVXNABHHX-UXLLHSPISA-N 2 2 334.464 1.453 20 0 EDADLP CC[NH+](CC)CCCN1CC[N@H+](CCC[NH+](CC)CC)CC(O)C1 ZINC000373814276 446335332 /nfs/dbraw/zinc/33/53/32/446335332.db2.gz IAGPXRWXFXENQX-UHFFFAOYSA-N 3 2 342.572 1.429 20 0 EDADLP CC[NH+](CC)CCCN1CC[N@@H+](CCC[NH+](CC)CC)CC(O)C1 ZINC000373814276 446335335 /nfs/dbraw/zinc/33/53/35/446335335.db2.gz IAGPXRWXFXENQX-UHFFFAOYSA-N 3 2 342.572 1.429 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000376213619 446383034 /nfs/dbraw/zinc/38/30/34/446383034.db2.gz YNBYMIDALLCHKB-WMLDXEAASA-N 2 2 342.447 1.750 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000376213619 446383038 /nfs/dbraw/zinc/38/30/38/446383038.db2.gz YNBYMIDALLCHKB-WMLDXEAASA-N 2 2 342.447 1.750 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000366861271 446386461 /nfs/dbraw/zinc/38/64/61/446386461.db2.gz DWGMBBDRCLLEKF-OALUTQOASA-N 2 2 343.471 1.933 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000366861271 446386465 /nfs/dbraw/zinc/38/64/65/446386465.db2.gz DWGMBBDRCLLEKF-OALUTQOASA-N 2 2 343.471 1.933 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000366861271 446386469 /nfs/dbraw/zinc/38/64/69/446386469.db2.gz DWGMBBDRCLLEKF-OALUTQOASA-N 2 2 343.471 1.933 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000366861271 446386474 /nfs/dbraw/zinc/38/64/74/446386474.db2.gz DWGMBBDRCLLEKF-OALUTQOASA-N 2 2 343.471 1.933 20 0 EDADLP C[NH2+]CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423198026 446452345 /nfs/dbraw/zinc/45/23/45/446452345.db2.gz COWBHSDPUTVMHF-MRVPVSSYSA-N 2 2 340.276 1.901 20 0 EDADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420254870 446435543 /nfs/dbraw/zinc/43/55/43/446435543.db2.gz SDKKUWMREIROCJ-BBRMVZONSA-N 2 2 343.427 1.442 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c(C)[nH+]1 ZINC000411236993 446437355 /nfs/dbraw/zinc/43/73/55/446437355.db2.gz FUTPDIILHAFWNY-UHFFFAOYSA-N 2 2 332.448 1.936 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)c(C)[nH+]1 ZINC000411236993 446437359 /nfs/dbraw/zinc/43/73/59/446437359.db2.gz FUTPDIILHAFWNY-UHFFFAOYSA-N 2 2 332.448 1.936 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NC[C@@H]2C[NH2+]CCO2)[nH+]cn1 ZINC000420277914 446446820 /nfs/dbraw/zinc/44/68/20/446446820.db2.gz IKQQQLJSWUZRDP-VBQJREDUSA-N 2 2 335.452 1.492 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423193531 446449830 /nfs/dbraw/zinc/44/98/30/446449830.db2.gz WTCSVMVMHKQTSM-QUCCMNQESA-N 3 2 330.520 1.924 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423193531 446449834 /nfs/dbraw/zinc/44/98/34/446449834.db2.gz WTCSVMVMHKQTSM-QUCCMNQESA-N 3 2 330.520 1.924 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420282106 446450254 /nfs/dbraw/zinc/45/02/54/446450254.db2.gz APQIENXFYWNNAL-LSDHHAIUSA-N 2 2 327.469 1.236 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420282106 446450261 /nfs/dbraw/zinc/45/02/61/446450261.db2.gz APQIENXFYWNNAL-LSDHHAIUSA-N 2 2 327.469 1.236 20 0 EDADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000423218056 446456835 /nfs/dbraw/zinc/45/68/35/446456835.db2.gz RGGYPUAMXGRKTO-UONOGXRCSA-N 2 2 333.436 1.051 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000423237818 446460060 /nfs/dbraw/zinc/46/00/60/446460060.db2.gz IQHIRBDRPDNTNG-SUMWQHHRSA-N 2 2 333.457 1.945 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000420300161 446463343 /nfs/dbraw/zinc/46/33/43/446463343.db2.gz UMWKNNATNAZXFA-FZMZJTMJSA-N 2 2 338.249 1.835 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000420300161 446463350 /nfs/dbraw/zinc/46/33/50/446463350.db2.gz UMWKNNATNAZXFA-FZMZJTMJSA-N 2 2 338.249 1.835 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)n2)c(OC)c1 ZINC000420301915 446463681 /nfs/dbraw/zinc/46/36/81/446463681.db2.gz FJYGXXSSLYKPRL-NWDGAFQWSA-N 2 2 332.404 1.923 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)n2)c(OC)c1 ZINC000420301915 446463687 /nfs/dbraw/zinc/46/36/87/446463687.db2.gz FJYGXXSSLYKPRL-NWDGAFQWSA-N 2 2 332.404 1.923 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420311821 446476128 /nfs/dbraw/zinc/47/61/28/446476128.db2.gz HXWMQOBBJLCNPM-XKQJLSEDSA-N 2 2 345.443 1.019 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420311821 446476136 /nfs/dbraw/zinc/47/61/36/446476136.db2.gz HXWMQOBBJLCNPM-XKQJLSEDSA-N 2 2 345.443 1.019 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420314996 446480099 /nfs/dbraw/zinc/48/00/99/446480099.db2.gz RIVLMVXLADQDKO-QZTJIDSGSA-N 3 2 332.492 1.479 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420314996 446480104 /nfs/dbraw/zinc/48/01/04/446480104.db2.gz RIVLMVXLADQDKO-QZTJIDSGSA-N 3 2 332.492 1.479 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1 ZINC000420314524 446480438 /nfs/dbraw/zinc/48/04/38/446480438.db2.gz KDPSWYLXBMZMEX-VQIMIIECSA-N 2 2 344.459 1.719 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1 ZINC000420314524 446480442 /nfs/dbraw/zinc/48/04/42/446480442.db2.gz KDPSWYLXBMZMEX-VQIMIIECSA-N 2 2 344.459 1.719 20 0 EDADLP Nc1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000420314747 446480703 /nfs/dbraw/zinc/48/07/03/446480703.db2.gz WFXIOHSZBOQZSG-BPNCWPANSA-N 2 2 343.410 1.506 20 0 EDADLP Nc1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000420314747 446480706 /nfs/dbraw/zinc/48/07/06/446480706.db2.gz WFXIOHSZBOQZSG-BPNCWPANSA-N 2 2 343.410 1.506 20 0 EDADLP C[N@H+](CC(=O)NCCc1cccc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000420317481 446482858 /nfs/dbraw/zinc/48/28/58/446482858.db2.gz UNKIFKKLVSYCJV-SFHVURJKSA-N 2 2 340.471 1.967 20 0 EDADLP C[N@@H+](CC(=O)NCCc1cccc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000420317481 446482864 /nfs/dbraw/zinc/48/28/64/446482864.db2.gz UNKIFKKLVSYCJV-SFHVURJKSA-N 2 2 340.471 1.967 20 0 EDADLP C[C@H]1CCOCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000374980961 446495080 /nfs/dbraw/zinc/49/50/80/446495080.db2.gz PWNLTFLWVBNQDG-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP C[C@H]1CCOCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000374980961 446495083 /nfs/dbraw/zinc/49/50/83/446495083.db2.gz PWNLTFLWVBNQDG-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP CC(C)(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423391651 446514153 /nfs/dbraw/zinc/51/41/53/446514153.db2.gz PMNSEFHQAZNQMD-INIZCTEOSA-N 2 2 333.476 1.940 20 0 EDADLP CC(C)(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423391651 446514157 /nfs/dbraw/zinc/51/41/57/446514157.db2.gz PMNSEFHQAZNQMD-INIZCTEOSA-N 2 2 333.476 1.940 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000418318047 446496695 /nfs/dbraw/zinc/49/66/95/446496695.db2.gz ZQDRCANXKYHFNN-INIZCTEOSA-N 2 2 334.464 1.268 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)CC1 ZINC000411483374 446563997 /nfs/dbraw/zinc/56/39/97/446563997.db2.gz BUOBNKRVDZHSLG-INIZCTEOSA-N 2 2 349.479 1.834 20 0 EDADLP CC[C@H](CSC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367615574 446568526 /nfs/dbraw/zinc/56/85/26/446568526.db2.gz BGQZXPGELWHSPP-KGLIPLIRSA-N 2 2 328.526 1.596 20 0 EDADLP CC[C@H](CSC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367615574 446568532 /nfs/dbraw/zinc/56/85/32/446568532.db2.gz BGQZXPGELWHSPP-KGLIPLIRSA-N 2 2 328.526 1.596 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420393994 446568551 /nfs/dbraw/zinc/56/85/51/446568551.db2.gz CGXKMILCQDSURZ-HOTGVXAUSA-N 2 2 347.459 1.499 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420393994 446568557 /nfs/dbraw/zinc/56/85/57/446568557.db2.gz CGXKMILCQDSURZ-HOTGVXAUSA-N 2 2 347.459 1.499 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])c2cscn2)[NH+]2CCCC2)o1 ZINC000423403867 446519559 /nfs/dbraw/zinc/51/95/59/446519559.db2.gz SGNWUDQONLMTHQ-ZFWWWQNUSA-N 2 2 334.445 1.998 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C[C@H]1C ZINC000423402562 446520216 /nfs/dbraw/zinc/52/02/16/446520216.db2.gz YJWUAFXKHOBHBH-ABAIWWIYSA-N 2 2 327.375 1.144 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C[C@H]1C ZINC000423402562 446520219 /nfs/dbraw/zinc/52/02/19/446520219.db2.gz YJWUAFXKHOBHBH-ABAIWWIYSA-N 2 2 327.375 1.144 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390608 446566970 /nfs/dbraw/zinc/56/69/70/446566970.db2.gz YMPZOFCSUYXWGS-BEFAXECRSA-N 2 2 331.460 1.948 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390608 446566978 /nfs/dbraw/zinc/56/69/78/446566978.db2.gz YMPZOFCSUYXWGS-BEFAXECRSA-N 2 2 331.460 1.948 20 0 EDADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000420351430 446529998 /nfs/dbraw/zinc/52/99/98/446529998.db2.gz JVVAYAZWYSQNRJ-MFKMUULPSA-N 2 2 332.231 1.350 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000420351430 446530007 /nfs/dbraw/zinc/53/00/07/446530007.db2.gz JVVAYAZWYSQNRJ-MFKMUULPSA-N 2 2 332.231 1.350 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC[C@@H]3CCO)C2)CC1 ZINC000375036321 446532043 /nfs/dbraw/zinc/53/20/43/446532043.db2.gz HBDREXSEJUFMOT-NVXWUHKLSA-N 2 2 338.496 1.101 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC[C@@H]3CCO)C2)CC1 ZINC000375036321 446532046 /nfs/dbraw/zinc/53/20/46/446532046.db2.gz HBDREXSEJUFMOT-NVXWUHKLSA-N 2 2 338.496 1.101 20 0 EDADLP COc1ccc(CCNC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OC ZINC000420354448 446533403 /nfs/dbraw/zinc/53/34/03/446533403.db2.gz DBMGUNLEHMFGMU-MRXNPFEDSA-N 2 2 337.464 1.326 20 0 EDADLP COC[C@]1(C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CCC[NH2+]1 ZINC000423441775 446539058 /nfs/dbraw/zinc/53/90/58/446539058.db2.gz WDSPGNSFKYRBDW-VQIMIIECSA-N 2 2 333.476 1.942 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420360943 446541093 /nfs/dbraw/zinc/54/10/93/446541093.db2.gz LSORROZEVMVLQB-HNNXBMFYSA-N 2 2 333.432 1.414 20 0 EDADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000453088940 446542679 /nfs/dbraw/zinc/54/26/79/446542679.db2.gz QJAKEYUPURNAKF-KXBFYZLASA-N 2 2 326.444 1.416 20 0 EDADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000453088940 446542681 /nfs/dbraw/zinc/54/26/81/446542681.db2.gz QJAKEYUPURNAKF-KXBFYZLASA-N 2 2 326.444 1.416 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453106261 446545270 /nfs/dbraw/zinc/54/52/70/446545270.db2.gz YLVUWZAHIHJTJF-UAFMIMERSA-N 3 2 331.504 1.942 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420369593 446549394 /nfs/dbraw/zinc/54/93/94/446549394.db2.gz LFOUAKJDWQAJON-IBGZPJMESA-N 2 2 331.460 1.525 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420369593 446549398 /nfs/dbraw/zinc/54/93/98/446549398.db2.gz LFOUAKJDWQAJON-IBGZPJMESA-N 2 2 331.460 1.525 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000420373157 446550633 /nfs/dbraw/zinc/55/06/33/446550633.db2.gz QWEORVVWDWTRIE-IIDMSEBBSA-N 2 2 325.497 1.818 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000433984583 446613389 /nfs/dbraw/zinc/61/33/89/446613389.db2.gz QYOIJEYHFYIFQY-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000433988901 446614215 /nfs/dbraw/zinc/61/42/15/446614215.db2.gz UGZUNSVSYWSPSI-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CCc1ccc([C@@H](COC)[NH2+]CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000411512292 446579290 /nfs/dbraw/zinc/57/92/90/446579290.db2.gz LIMDLOAKTBFMTP-MRXNPFEDSA-N 2 2 337.464 1.720 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)CC2 ZINC000423636054 446618792 /nfs/dbraw/zinc/61/87/92/446618792.db2.gz AVNGOCBDQVORFO-SWLSCSKDSA-N 2 2 333.432 1.010 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)CC2 ZINC000423636054 446618798 /nfs/dbraw/zinc/61/87/98/446618798.db2.gz AVNGOCBDQVORFO-SWLSCSKDSA-N 2 2 333.432 1.010 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000418552025 446590327 /nfs/dbraw/zinc/59/03/27/446590327.db2.gz LYIUTOOJDMWCLK-ZIAGYGMSSA-N 2 2 340.493 1.500 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)CC2 ZINC000423592662 446593455 /nfs/dbraw/zinc/59/34/55/446593455.db2.gz FCKUWXFUGWOYCO-KBPBESRZSA-N 2 2 347.459 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)CC2 ZINC000423592662 446593460 /nfs/dbraw/zinc/59/34/60/446593460.db2.gz FCKUWXFUGWOYCO-KBPBESRZSA-N 2 2 347.459 1.271 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCS(=O)(=O)C(C)C)C2)c1 ZINC000371159908 446661522 /nfs/dbraw/zinc/66/15/22/446661522.db2.gz HRYZKGGNNBKQLK-OAHLLOKOSA-N 2 2 325.478 1.947 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCS(=O)(=O)C(C)C)C2)c1 ZINC000371159908 446661528 /nfs/dbraw/zinc/66/15/28/446661528.db2.gz HRYZKGGNNBKQLK-OAHLLOKOSA-N 2 2 325.478 1.947 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCCSC3)C2)CC1 ZINC000376705131 446663946 /nfs/dbraw/zinc/66/39/46/446663946.db2.gz DGYHZEPSDXVSEW-CABCVRRESA-N 2 2 340.537 1.597 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCCSC3)C2)CC1 ZINC000376705131 446663955 /nfs/dbraw/zinc/66/39/55/446663955.db2.gz DGYHZEPSDXVSEW-CABCVRRESA-N 2 2 340.537 1.597 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCCC[C@H]3O)C2)CC1 ZINC000376706656 446665005 /nfs/dbraw/zinc/66/50/05/446665005.db2.gz LSSJKVVCJNUZGE-USXIJHARSA-N 2 2 338.496 1.148 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCCC[C@H]3O)C2)CC1 ZINC000376706656 446665013 /nfs/dbraw/zinc/66/50/13/446665013.db2.gz LSSJKVVCJNUZGE-USXIJHARSA-N 2 2 338.496 1.148 20 0 EDADLP O=C([C@H]1COCC[NH2+]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423738357 446669894 /nfs/dbraw/zinc/66/98/94/446669894.db2.gz DYSFEFJJKKCGCV-GOSISDBHSA-N 2 2 331.460 1.142 20 0 EDADLP O=C([C@H]1COCC[NH2+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423738357 446669898 /nfs/dbraw/zinc/66/98/98/446669898.db2.gz DYSFEFJJKKCGCV-GOSISDBHSA-N 2 2 331.460 1.142 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CC[C@@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000423758433 446687571 /nfs/dbraw/zinc/68/75/71/446687571.db2.gz NPFFFKZBOKSPPL-OCCSQVGLSA-N 2 2 325.478 1.673 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(C)cc(OC)n3)CC2)CC1 ZINC000420621989 446707623 /nfs/dbraw/zinc/70/76/23/446707623.db2.gz DVZSMPWYDSJZNE-UHFFFAOYSA-N 2 2 333.480 1.790 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3nc(C)cc(OC)n3)CC2)CC1 ZINC000420621989 446707630 /nfs/dbraw/zinc/70/76/30/446707630.db2.gz DVZSMPWYDSJZNE-UHFFFAOYSA-N 2 2 333.480 1.790 20 0 EDADLP COc1cc2nc(NC3CCC([NH+](C)C)CC3)[nH+]c(N)c2cc1OC ZINC000420626984 446709042 /nfs/dbraw/zinc/70/90/42/446709042.db2.gz MZOUJROIRJVNNC-UHFFFAOYSA-N 2 2 345.447 1.936 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423821698 446710455 /nfs/dbraw/zinc/71/04/55/446710455.db2.gz IAXFQZQDFPSCOE-KKUMJFAQSA-N 2 2 341.814 1.329 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423821698 446710460 /nfs/dbraw/zinc/71/04/60/446710460.db2.gz IAXFQZQDFPSCOE-KKUMJFAQSA-N 2 2 341.814 1.329 20 0 EDADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423821810 446711004 /nfs/dbraw/zinc/71/10/04/446711004.db2.gz IVJPRVIXINKANV-KRWDZBQOSA-N 2 2 342.443 1.751 20 0 EDADLP CCCC[C@@H](C(=O)OC)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375334518 446730123 /nfs/dbraw/zinc/73/01/23/446730123.db2.gz IPKPLKKAUMBAEI-KRWDZBQOSA-N 2 2 341.496 1.058 20 0 EDADLP CCCC[C@@H](C(=O)OC)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375334518 446730128 /nfs/dbraw/zinc/73/01/28/446730128.db2.gz IPKPLKKAUMBAEI-KRWDZBQOSA-N 2 2 341.496 1.058 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1C ZINC000437791910 446759334 /nfs/dbraw/zinc/75/93/34/446759334.db2.gz IESSOJMYLBRFHU-WBVHZDCISA-N 2 2 334.464 1.589 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1C ZINC000437791910 446759340 /nfs/dbraw/zinc/75/93/40/446759340.db2.gz IESSOJMYLBRFHU-WBVHZDCISA-N 2 2 334.464 1.589 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1C ZINC000437791910 446759347 /nfs/dbraw/zinc/75/93/47/446759347.db2.gz IESSOJMYLBRFHU-WBVHZDCISA-N 2 2 334.464 1.589 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1C ZINC000437791910 446759352 /nfs/dbraw/zinc/75/93/52/446759352.db2.gz IESSOJMYLBRFHU-WBVHZDCISA-N 2 2 334.464 1.589 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000412030932 446792854 /nfs/dbraw/zinc/79/28/54/446792854.db2.gz ALNFSQRQYMOZLR-BBWFWOEESA-N 2 2 347.459 1.017 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000412030932 446792856 /nfs/dbraw/zinc/79/28/56/446792856.db2.gz ALNFSQRQYMOZLR-BBWFWOEESA-N 2 2 347.459 1.017 20 0 EDADLP Cc1cc(N2CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C2)cc[nH+]1 ZINC000418937841 446811752 /nfs/dbraw/zinc/81/17/52/446811752.db2.gz OIKVLRYTOWILHH-INIZCTEOSA-N 2 2 335.448 1.869 20 0 EDADLP Cc1cc(N2CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C2)cc[nH+]1 ZINC000418937841 446811755 /nfs/dbraw/zinc/81/17/55/446811755.db2.gz OIKVLRYTOWILHH-INIZCTEOSA-N 2 2 335.448 1.869 20 0 EDADLP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)CC2 ZINC000376987243 446842053 /nfs/dbraw/zinc/84/20/53/446842053.db2.gz HHDMSECEDNJDOH-QGZVFWFLSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CCCC12CCN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)CC2 ZINC000376987243 446842055 /nfs/dbraw/zinc/84/20/55/446842055.db2.gz HHDMSECEDNJDOH-QGZVFWFLSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCCC12CCN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)CC2 ZINC000376987243 446842057 /nfs/dbraw/zinc/84/20/57/446842057.db2.gz HHDMSECEDNJDOH-QGZVFWFLSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCCC12CCN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)CC2 ZINC000376987243 446842060 /nfs/dbraw/zinc/84/20/60/446842060.db2.gz HHDMSECEDNJDOH-QGZVFWFLSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C1 ZINC000371419353 446843503 /nfs/dbraw/zinc/84/35/03/446843503.db2.gz LUQPVSXPKRSGOW-SFHVURJKSA-N 2 2 340.475 1.684 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C1 ZINC000371419353 446843507 /nfs/dbraw/zinc/84/35/07/446843507.db2.gz LUQPVSXPKRSGOW-SFHVURJKSA-N 2 2 340.475 1.684 20 0 EDADLP Cc1[nH]c2ccc(NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)cc2[nH+]1 ZINC000424093656 446849056 /nfs/dbraw/zinc/84/90/56/446849056.db2.gz SHBKEOFNVDIHME-GFCCVEGCSA-N 2 2 325.376 1.640 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)nc1 ZINC000371442351 446858205 /nfs/dbraw/zinc/85/82/05/446858205.db2.gz HYAZOVAQCXWCHI-GOEBONIOSA-N 2 2 338.883 1.792 20 0 EDADLP CC1(C)C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](CO)O1 ZINC000420929642 446901228 /nfs/dbraw/zinc/90/12/28/446901228.db2.gz RCBKBWBYPBCGQA-SFHVURJKSA-N 2 2 334.460 1.491 20 0 EDADLP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](CO)O1 ZINC000420929642 446901235 /nfs/dbraw/zinc/90/12/35/446901235.db2.gz RCBKBWBYPBCGQA-SFHVURJKSA-N 2 2 334.460 1.491 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420894225 446872549 /nfs/dbraw/zinc/87/25/49/446872549.db2.gz RFEOHAMGTFBPPQ-OTBWCIGPSA-N 2 2 338.496 1.364 20 0 EDADLP NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906266 446881687 /nfs/dbraw/zinc/88/16/87/446881687.db2.gz SKNZUGJOIKYORS-GOSISDBHSA-N 2 2 331.460 1.749 20 0 EDADLP NC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906266 446881689 /nfs/dbraw/zinc/88/16/89/446881689.db2.gz SKNZUGJOIKYORS-GOSISDBHSA-N 2 2 331.460 1.749 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368516035 446913701 /nfs/dbraw/zinc/91/37/01/446913701.db2.gz WYGZEAOQFHHLJL-OAHLLOKOSA-N 2 2 334.464 1.552 20 0 EDADLP COCCCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368516035 446913706 /nfs/dbraw/zinc/91/37/06/446913706.db2.gz WYGZEAOQFHHLJL-OAHLLOKOSA-N 2 2 334.464 1.552 20 0 EDADLP CC(C)CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000368551332 446938904 /nfs/dbraw/zinc/93/89/04/446938904.db2.gz HYPMENNNMKTURP-ZWKOTPCHSA-N 2 2 337.508 1.724 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(OC)cc1Cl ZINC000442766443 446956990 /nfs/dbraw/zinc/95/69/90/446956990.db2.gz JYXPIMAAKTVHDV-WDEREUQCSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(OC)cc1Cl ZINC000442766443 446956998 /nfs/dbraw/zinc/95/69/98/446956998.db2.gz JYXPIMAAKTVHDV-WDEREUQCSA-N 2 2 341.839 1.965 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000442766983 446958731 /nfs/dbraw/zinc/95/87/31/446958731.db2.gz LUAAVSCMALYGBK-IEBWSBKVSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)CC2)c1 ZINC000442766983 446958739 /nfs/dbraw/zinc/95/87/39/446958739.db2.gz LUAAVSCMALYGBK-IEBWSBKVSA-N 3 2 344.503 1.308 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000371833152 446969067 /nfs/dbraw/zinc/96/90/67/446969067.db2.gz VVXYGUKFEYJUDM-QGZVFWFLSA-N 2 2 336.524 1.489 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000371833152 446969072 /nfs/dbraw/zinc/96/90/72/446969072.db2.gz VVXYGUKFEYJUDM-QGZVFWFLSA-N 2 2 336.524 1.489 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000377200536 446988821 /nfs/dbraw/zinc/98/88/21/446988821.db2.gz YSWBTXHEQVFQBM-NPYXIHBLSA-N 3 2 334.508 1.192 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000377200536 446988826 /nfs/dbraw/zinc/98/88/26/446988826.db2.gz YSWBTXHEQVFQBM-NPYXIHBLSA-N 3 2 334.508 1.192 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)nc1 ZINC000375714625 446995419 /nfs/dbraw/zinc/99/54/19/446995419.db2.gz PKMMXIYZWNAPDD-SFHVURJKSA-N 2 2 346.475 1.470 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)nc1 ZINC000375714625 446995427 /nfs/dbraw/zinc/99/54/27/446995427.db2.gz PKMMXIYZWNAPDD-SFHVURJKSA-N 2 2 346.475 1.470 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1)C[NH+]1CCOCC1 ZINC000413153792 447037758 /nfs/dbraw/zinc/03/77/58/447037758.db2.gz MASCCYFMQZXKTN-PMPSAXMXSA-N 2 2 349.479 1.064 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1)C[NH+]1CCOCC1 ZINC000413153792 447037762 /nfs/dbraw/zinc/03/77/62/447037762.db2.gz MASCCYFMQZXKTN-PMPSAXMXSA-N 2 2 349.479 1.064 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)[NH+](C)C)cc1 ZINC000413190659 447059288 /nfs/dbraw/zinc/05/92/88/447059288.db2.gz XIAZFWJJUXEJJR-KURKYZTESA-N 2 2 346.475 1.322 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)[NH+](C)C)cc1 ZINC000413190659 447059300 /nfs/dbraw/zinc/05/93/00/447059300.db2.gz XIAZFWJJUXEJJR-KURKYZTESA-N 2 2 346.475 1.322 20 0 EDADLP CCc1nc(C[N@H+]2CCCN(C(=O)/C=C/C[NH+](C)C)CC2)cs1 ZINC000375806849 447067794 /nfs/dbraw/zinc/06/77/94/447067794.db2.gz ATUYFAPRURXLQR-FNORWQNLSA-N 2 2 336.505 1.858 20 0 EDADLP C[C@H]1CN(C(=O)CCc2cscn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377259367 447024698 /nfs/dbraw/zinc/02/46/98/447024698.db2.gz VRXFRDILEDFVJE-AWEZNQCLSA-N 2 2 336.505 1.703 20 0 EDADLP C[C@H]1CN(C(=O)CCc2cscn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377259367 447024703 /nfs/dbraw/zinc/02/47/03/447024703.db2.gz VRXFRDILEDFVJE-AWEZNQCLSA-N 2 2 336.505 1.703 20 0 EDADLP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)/C=C/C[NH+](C)C)CC2)no1 ZINC000372527249 447111695 /nfs/dbraw/zinc/11/16/95/447111695.db2.gz OQUCMPXIEKYAGU-PMGBHYCQSA-N 2 2 335.452 1.309 20 0 EDADLP Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)/C=C/C[NH+](C)C)CC2)no1 ZINC000372527249 447111700 /nfs/dbraw/zinc/11/17/00/447111700.db2.gz OQUCMPXIEKYAGU-PMGBHYCQSA-N 2 2 335.452 1.309 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1C[C@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000377414993 447119231 /nfs/dbraw/zinc/11/92/31/447119231.db2.gz WRCKZIZGEJCWQV-DLBZAZTESA-N 2 2 337.489 1.178 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000377414993 447119234 /nfs/dbraw/zinc/11/92/34/447119234.db2.gz WRCKZIZGEJCWQV-DLBZAZTESA-N 2 2 337.489 1.178 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000444175421 447088788 /nfs/dbraw/zinc/08/87/88/447088788.db2.gz KEEMGLYJTLGICZ-CMKODMSKSA-N 2 2 343.471 1.484 20 0 EDADLP CC(C)[C@@H]1CN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC[N@@H+]1C ZINC000413257853 447098426 /nfs/dbraw/zinc/09/84/26/447098426.db2.gz GASWCNDNMUANES-JYJNAYRXSA-N 2 2 333.480 1.460 20 0 EDADLP CC(C)[C@@H]1CN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC[N@H+]1C ZINC000413257853 447098435 /nfs/dbraw/zinc/09/84/35/447098435.db2.gz GASWCNDNMUANES-JYJNAYRXSA-N 2 2 333.480 1.460 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)CC1 ZINC000375899841 447132693 /nfs/dbraw/zinc/13/26/93/447132693.db2.gz DNMJSEZJSMTMQA-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)CC1 ZINC000375899841 447132702 /nfs/dbraw/zinc/13/27/02/447132702.db2.gz DNMJSEZJSMTMQA-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCc2ccccc21 ZINC000377532292 447187307 /nfs/dbraw/zinc/18/73/07/447187307.db2.gz UBDBVCHBAXOQAN-FQEVSTJZSA-N 2 2 345.487 1.617 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000372596623 447170912 /nfs/dbraw/zinc/17/09/12/447170912.db2.gz YGPOWMLNBUDBNU-JKSUJKDBSA-N 2 2 345.491 2.521 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000372596623 447170914 /nfs/dbraw/zinc/17/09/14/447170914.db2.gz YGPOWMLNBUDBNU-JKSUJKDBSA-N 2 2 345.491 2.521 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1ccnc(-n2cc[nH+]c2)c1 ZINC000375954775 447171581 /nfs/dbraw/zinc/17/15/81/447171581.db2.gz SCMKMLQAVYZREN-QGZVFWFLSA-N 2 2 333.395 1.884 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)[nH]1 ZINC000377617695 447247097 /nfs/dbraw/zinc/24/70/97/447247097.db2.gz BDJRTWQHMCFNSL-OAHLLOKOSA-N 2 2 334.464 1.261 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)[nH]1 ZINC000377617695 447247101 /nfs/dbraw/zinc/24/71/01/447247101.db2.gz BDJRTWQHMCFNSL-OAHLLOKOSA-N 2 2 334.464 1.261 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368971065 447234883 /nfs/dbraw/zinc/23/48/83/447234883.db2.gz YEANIXNNJWUOFR-HOTGVXAUSA-N 2 2 347.463 1.124 20 0 EDADLP O=C(CC[NH2+][C@H]1CCO[C@@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372795657 447289290 /nfs/dbraw/zinc/28/92/90/447289290.db2.gz AIJRVUTUFHGWQQ-QFBILLFUSA-N 2 2 344.459 1.277 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000372819571 447300719 /nfs/dbraw/zinc/30/07/19/447300719.db2.gz AFAIWZBDQRZEEM-ZIAGYGMSSA-N 2 2 328.420 1.312 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCCCC[NH2+]1 ZINC000382419976 447463132 /nfs/dbraw/zinc/46/31/32/447463132.db2.gz BDYBSDQMVNRNIT-MSOLQXFVSA-N 2 2 331.460 1.536 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCCCC[NH2+]1 ZINC000382419976 447463140 /nfs/dbraw/zinc/46/31/40/447463140.db2.gz BDYBSDQMVNRNIT-MSOLQXFVSA-N 2 2 331.460 1.536 20 0 EDADLP CCc1cccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000450361284 447466846 /nfs/dbraw/zinc/46/68/46/447466846.db2.gz DYQWGLORTVKGBH-HNNXBMFYSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1cccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000450361284 447466847 /nfs/dbraw/zinc/46/68/47/447466847.db2.gz DYQWGLORTVKGBH-HNNXBMFYSA-N 2 2 330.476 1.885 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389851732 447487632 /nfs/dbraw/zinc/48/76/32/447487632.db2.gz WFIOIYCGCWDHJN-RNIPGJKVSA-N 2 2 336.476 1.509 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389851732 447487635 /nfs/dbraw/zinc/48/76/35/447487635.db2.gz WFIOIYCGCWDHJN-RNIPGJKVSA-N 2 2 336.476 1.509 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415542980 447506317 /nfs/dbraw/zinc/50/63/17/447506317.db2.gz QZHWZXUIVHRTAL-STQMWFEESA-N 2 2 341.415 1.221 20 0 EDADLP CCC[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)OC ZINC000458951999 447514476 /nfs/dbraw/zinc/51/44/76/447514476.db2.gz UCKWTDNDBXATBW-MRXNPFEDSA-N 2 2 328.501 1.469 20 0 EDADLP CCC[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)OC ZINC000458951999 447514482 /nfs/dbraw/zinc/51/44/82/447514482.db2.gz UCKWTDNDBXATBW-MRXNPFEDSA-N 2 2 328.501 1.469 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415942695 447528336 /nfs/dbraw/zinc/52/83/36/447528336.db2.gz BXCZQORNEVUJHW-ZBFHGGJFSA-N 2 2 348.447 1.351 20 0 EDADLP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415479974 447470179 /nfs/dbraw/zinc/47/01/79/447470179.db2.gz IRXJJKJYHKKLJO-AWEZNQCLSA-N 2 2 340.383 1.762 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398172113 447555747 /nfs/dbraw/zinc/55/57/47/447555747.db2.gz UXVVRKNCZWCHID-PBWTXFEYSA-N 2 2 336.476 1.651 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398172113 447555753 /nfs/dbraw/zinc/55/57/53/447555753.db2.gz UXVVRKNCZWCHID-PBWTXFEYSA-N 2 2 336.476 1.651 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CC[N@@H+]1CCOC ZINC000459073005 447561304 /nfs/dbraw/zinc/56/13/04/447561304.db2.gz ZHPMQGUYOKRIFY-LSDHHAIUSA-N 2 2 337.468 1.716 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CC[N@H+]1CCOC ZINC000459073005 447561310 /nfs/dbraw/zinc/56/13/10/447561310.db2.gz ZHPMQGUYOKRIFY-LSDHHAIUSA-N 2 2 337.468 1.716 20 0 EDADLP Nc1cc(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000404187687 447594640 /nfs/dbraw/zinc/59/46/40/447594640.db2.gz JSJBPMKMJRYEIM-MOPGFXCFSA-N 2 2 338.455 1.969 20 0 EDADLP Nc1cc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000404187687 447594642 /nfs/dbraw/zinc/59/46/42/447594642.db2.gz JSJBPMKMJRYEIM-MOPGFXCFSA-N 2 2 338.455 1.969 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459150620 447596192 /nfs/dbraw/zinc/59/61/92/447596192.db2.gz ODKMNTDBZZDDBE-UHFFFAOYSA-N 2 2 333.436 1.719 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459150620 447596199 /nfs/dbraw/zinc/59/61/99/447596199.db2.gz ODKMNTDBZZDDBE-UHFFFAOYSA-N 2 2 333.436 1.719 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000459259350 447623942 /nfs/dbraw/zinc/62/39/42/447623942.db2.gz KHNXSPBNQHYBDQ-DLBZAZTESA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000459259350 447623948 /nfs/dbraw/zinc/62/39/48/447623948.db2.gz KHNXSPBNQHYBDQ-DLBZAZTESA-N 2 2 338.496 1.225 20 0 EDADLP [NH3+][C@H](CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000416885247 447701425 /nfs/dbraw/zinc/70/14/25/447701425.db2.gz FBRLMARUDDYVCQ-SJORKVTESA-N 2 2 332.448 1.096 20 0 EDADLP Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)CCc2c[nH+]cn2C)on1 ZINC000459407608 447655624 /nfs/dbraw/zinc/65/56/24/447655624.db2.gz IBLAPFLESXCWDR-HOCLYGCPSA-N 2 2 335.427 1.803 20 0 EDADLP Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)CCc2c[nH+]cn2C)on1 ZINC000459407608 447655630 /nfs/dbraw/zinc/65/56/30/447655630.db2.gz IBLAPFLESXCWDR-HOCLYGCPSA-N 2 2 335.427 1.803 20 0 EDADLP O[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459419416 447658691 /nfs/dbraw/zinc/65/86/91/447658691.db2.gz AMRBCDCTRDJZEN-FQEVSTJZSA-N 3 2 329.488 1.840 20 0 EDADLP CC[NH2+]CC1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000420215565 447673613 /nfs/dbraw/zinc/67/36/13/447673613.db2.gz SMBPYGASANGUNF-GDBMZVCRSA-N 2 2 333.480 1.510 20 0 EDADLP CC[NH2+]CC1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000420215565 447673615 /nfs/dbraw/zinc/67/36/15/447673615.db2.gz SMBPYGASANGUNF-GDBMZVCRSA-N 2 2 333.480 1.510 20 0 EDADLP COc1ccc([C@@H](NC(=O)NC(C)(C)C[NH3+])c2[nH+]ccn2C)cc1 ZINC000416914099 447708020 /nfs/dbraw/zinc/70/80/20/447708020.db2.gz WMQITQUPAYCWKO-CQSZACIVSA-N 2 2 331.420 1.555 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422638255 447683663 /nfs/dbraw/zinc/68/36/63/447683663.db2.gz QAAMJAGIISFAHP-RDBSUJKOSA-N 2 2 333.432 1.717 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422638255 447683667 /nfs/dbraw/zinc/68/36/67/447683667.db2.gz QAAMJAGIISFAHP-RDBSUJKOSA-N 2 2 333.432 1.717 20 0 EDADLP CC[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422697162 447718804 /nfs/dbraw/zinc/71/88/04/447718804.db2.gz UBRBETZFKHOWDS-IRXDYDNUSA-N 2 2 332.496 1.109 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000422711648 447724345 /nfs/dbraw/zinc/72/43/45/447724345.db2.gz HGADQSWXSLTEIK-GJZGRUSLSA-N 2 2 326.462 1.207 20 0 EDADLP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422719312 447727806 /nfs/dbraw/zinc/72/78/06/447727806.db2.gz YKJZZSCCNZPVBO-QFBILLFUSA-N 3 2 335.492 1.731 20 0 EDADLP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422719312 447727811 /nfs/dbraw/zinc/72/78/11/447727811.db2.gz YKJZZSCCNZPVBO-QFBILLFUSA-N 3 2 335.492 1.731 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000422721820 447728720 /nfs/dbraw/zinc/72/87/20/447728720.db2.gz OJYKCKUVZNZAHK-LPHOPBHVSA-N 3 2 333.476 1.485 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000459645240 447730383 /nfs/dbraw/zinc/73/03/83/447730383.db2.gz LCVYKZJBJCERCN-HZPDHXFCSA-N 2 2 337.489 1.701 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000459645240 447730386 /nfs/dbraw/zinc/73/03/86/447730386.db2.gz LCVYKZJBJCERCN-HZPDHXFCSA-N 2 2 337.489 1.701 20 0 EDADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459664810 447735780 /nfs/dbraw/zinc/73/57/80/447735780.db2.gz QBYSTIURHOEVFH-CQSZACIVSA-N 2 2 330.432 1.899 20 0 EDADLP CN(C)C(=O)c1cccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422784947 447749129 /nfs/dbraw/zinc/74/91/29/447749129.db2.gz QJBGGXMSYSJWHB-MSOLQXFVSA-N 2 2 331.460 1.288 20 0 EDADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000458304614 447765716 /nfs/dbraw/zinc/76/57/16/447765716.db2.gz DYFPBZFJHOGMDG-HNNXBMFYSA-N 2 2 340.493 1.152 20 0 EDADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000458304614 447765721 /nfs/dbraw/zinc/76/57/21/447765721.db2.gz DYFPBZFJHOGMDG-HNNXBMFYSA-N 2 2 340.493 1.152 20 0 EDADLP c1cn(Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c[nH+]1 ZINC000422814719 447757958 /nfs/dbraw/zinc/75/79/58/447757958.db2.gz VYUFETMZCKJIIZ-OALUTQOASA-N 3 2 326.444 1.788 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422816655 447757992 /nfs/dbraw/zinc/75/79/92/447757992.db2.gz FQAQVHXZDQULGR-GJZGRUSLSA-N 2 2 325.478 1.687 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+](C2CC2)C1 ZINC000458272886 447758248 /nfs/dbraw/zinc/75/82/48/447758248.db2.gz HNYNYNFZNUJHEY-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+](C2CC2)C1 ZINC000458272886 447758253 /nfs/dbraw/zinc/75/82/53/447758253.db2.gz HNYNYNFZNUJHEY-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+](C2CC2)C1 ZINC000458272886 447758255 /nfs/dbraw/zinc/75/82/55/447758255.db2.gz HNYNYNFZNUJHEY-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+](C2CC2)C1 ZINC000458272886 447758260 /nfs/dbraw/zinc/75/82/60/447758260.db2.gz HNYNYNFZNUJHEY-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000459777358 447760627 /nfs/dbraw/zinc/76/06/27/447760627.db2.gz DQAXRRZJVITBSJ-MRXNPFEDSA-N 2 2 341.459 1.415 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000458314088 447767144 /nfs/dbraw/zinc/76/71/44/447767144.db2.gz ORPFUYVDNIAKPO-XHSDSOJGSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000458314088 447767148 /nfs/dbraw/zinc/76/71/48/447767148.db2.gz ORPFUYVDNIAKPO-XHSDSOJGSA-N 2 2 326.485 1.220 20 0 EDADLP COC[C@@H](CCC[NH3+])[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000422851091 447769848 /nfs/dbraw/zinc/76/98/48/447769848.db2.gz OJJQBOLICMCWIV-QGZVFWFLSA-N 3 2 327.513 1.613 20 0 EDADLP c1ccc2nc(NCC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)ccc2c1 ZINC000422917662 447772634 /nfs/dbraw/zinc/77/26/34/447772634.db2.gz FKJCCXOTIVOVSG-MJGOQNOKSA-N 2 2 326.444 2.003 20 0 EDADLP CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000422963379 447782325 /nfs/dbraw/zinc/78/23/25/447782325.db2.gz IICBTSWWPWNULF-HOJAQTOUSA-N 3 2 332.536 1.807 20 0 EDADLP COC[C@]1(CO)CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000451923302 447784556 /nfs/dbraw/zinc/78/45/56/447784556.db2.gz BKULLEAXBJQTFR-HXUWFJFHSA-N 2 2 347.503 1.530 20 0 EDADLP COC[C@]1(CO)CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000451923302 447784558 /nfs/dbraw/zinc/78/45/58/447784558.db2.gz BKULLEAXBJQTFR-HXUWFJFHSA-N 2 2 347.503 1.530 20 0 EDADLP COc1ccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422977416 447785990 /nfs/dbraw/zinc/78/59/90/447785990.db2.gz KBKSGGZBNNYCCK-QZTJIDSGSA-N 3 2 333.476 1.535 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422995806 447788930 /nfs/dbraw/zinc/78/89/30/447788930.db2.gz ZIGZIPCYYGKDJD-AAEUAGOBSA-N 2 2 333.354 1.836 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CCCCC[C@H]3[NH3+])C2)nc1 ZINC000423038674 447796050 /nfs/dbraw/zinc/79/60/50/447796050.db2.gz YYXJNJAOVDHNFR-HZPDHXFCSA-N 2 2 332.448 1.697 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460135153 447796690 /nfs/dbraw/zinc/79/66/90/447796690.db2.gz BZOFBLZEHGNEFN-ULQDDVLXSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460135153 447796692 /nfs/dbraw/zinc/79/66/92/447796692.db2.gz BZOFBLZEHGNEFN-ULQDDVLXSA-N 2 2 336.480 1.119 20 0 EDADLP O=C1[C@@H]([NH2+]C2CC[NH2+]CC2)CCN1c1cccc(Br)c1 ZINC000423087316 447802152 /nfs/dbraw/zinc/80/21/52/447802152.db2.gz NUXYIWUCQBNBLO-AWEZNQCLSA-N 2 2 338.249 1.896 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000423107029 447806250 /nfs/dbraw/zinc/80/62/50/447806250.db2.gz KIDRRLLMXPZDON-UONOGXRCSA-N 2 2 331.416 1.029 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487143196 447828046 /nfs/dbraw/zinc/82/80/46/447828046.db2.gz VWHQTHBXGLXCCS-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000487143196 447828048 /nfs/dbraw/zinc/82/80/48/447828048.db2.gz VWHQTHBXGLXCCS-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523506226 447890629 /nfs/dbraw/zinc/89/06/29/447890629.db2.gz IBAUYFADQFERCM-CQSZACIVSA-N 2 2 342.447 1.903 20 0 EDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523506226 447890633 /nfs/dbraw/zinc/89/06/33/447890633.db2.gz IBAUYFADQFERCM-CQSZACIVSA-N 2 2 342.447 1.903 20 0 EDADLP C[N@@H+]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)[C@H](C[NH3+])C1 ZINC000569810983 447896991 /nfs/dbraw/zinc/89/69/91/447896991.db2.gz RESBDTXYYRIZEI-GFCCVEGCSA-N 2 2 335.345 1.842 20 0 EDADLP C[N@H+]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)[C@H](C[NH3+])C1 ZINC000569810983 447896996 /nfs/dbraw/zinc/89/69/96/447896996.db2.gz RESBDTXYYRIZEI-GFCCVEGCSA-N 2 2 335.345 1.842 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]1 ZINC000569820575 447899526 /nfs/dbraw/zinc/89/95/26/447899526.db2.gz WQFFYSIURFBLLT-DLBZAZTESA-N 2 2 332.448 1.111 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCNc1cc[nH+]cc1)C2 ZINC000530527846 447905844 /nfs/dbraw/zinc/90/58/44/447905844.db2.gz VXNUMAJZEIWCOM-ZDUSSCGKSA-N 2 2 327.432 1.683 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCNc1cc[nH+]cc1)CC2 ZINC000530527846 447905846 /nfs/dbraw/zinc/90/58/46/447905846.db2.gz VXNUMAJZEIWCOM-ZDUSSCGKSA-N 2 2 327.432 1.683 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cn2ccccc2n1 ZINC000570060200 447941927 /nfs/dbraw/zinc/94/19/27/447941927.db2.gz RLZFZVRKTMILPS-NVXWUHKLSA-N 2 2 343.475 1.928 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cn2ccccc2n1 ZINC000570060200 447941929 /nfs/dbraw/zinc/94/19/29/447941929.db2.gz RLZFZVRKTMILPS-NVXWUHKLSA-N 2 2 343.475 1.928 20 0 EDADLP O=C1O[C@@]2(CN1C[NH+]1CCC(n3cc[nH+]c3)CC1)C[NH+]1CCC2CC1 ZINC000496837953 447957131 /nfs/dbraw/zinc/95/71/31/447957131.db2.gz TWSBSIZSYFVMJJ-GOSISDBHSA-N 3 2 345.447 1.394 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000530587810 447922196 /nfs/dbraw/zinc/92/21/96/447922196.db2.gz LPNNEBITTOXAOM-HNNXBMFYSA-N 2 2 340.431 1.466 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000530587810 447922201 /nfs/dbraw/zinc/92/22/01/447922201.db2.gz LPNNEBITTOXAOM-HNNXBMFYSA-N 2 2 340.431 1.466 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)ccn12 ZINC000569939276 447923333 /nfs/dbraw/zinc/92/33/33/447923333.db2.gz NQRZUBJHFOLCAB-INIZCTEOSA-N 2 2 330.432 1.729 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)ccn12 ZINC000569939276 447923336 /nfs/dbraw/zinc/92/33/36/447923336.db2.gz NQRZUBJHFOLCAB-INIZCTEOSA-N 2 2 330.432 1.729 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)CCN2C1=O ZINC000569940422 447924215 /nfs/dbraw/zinc/92/42/15/447924215.db2.gz ANMCLZXARGAAGC-LSDHHAIUSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)CCN2C1=O ZINC000569940422 447924217 /nfs/dbraw/zinc/92/42/17/447924217.db2.gz ANMCLZXARGAAGC-LSDHHAIUSA-N 2 2 330.363 1.225 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H]1C ZINC000524618111 447938064 /nfs/dbraw/zinc/93/80/64/447938064.db2.gz OIMIKMQYSVOUAX-ZIAGYGMSSA-N 2 2 328.420 1.607 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H]1C ZINC000524618111 447938070 /nfs/dbraw/zinc/93/80/70/447938070.db2.gz OIMIKMQYSVOUAX-ZIAGYGMSSA-N 2 2 328.420 1.607 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CC2)[C@H](C[NH3+])C1 ZINC000570382498 447998213 /nfs/dbraw/zinc/99/82/13/447998213.db2.gz ZZIVEVNRPPZDBN-OAHLLOKOSA-N 2 2 336.867 1.656 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CC2)[C@H](C[NH3+])C1 ZINC000570382498 447998218 /nfs/dbraw/zinc/99/82/18/447998218.db2.gz ZZIVEVNRPPZDBN-OAHLLOKOSA-N 2 2 336.867 1.656 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000570578334 448033070 /nfs/dbraw/zinc/03/30/70/448033070.db2.gz FOYVQLKXHOYNAX-UHFFFAOYSA-N 2 2 333.423 1.322 20 0 EDADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000554576574 448036386 /nfs/dbraw/zinc/03/63/86/448036386.db2.gz CUDTVKLYJGVIIM-QAPCUYQASA-N 2 2 342.443 1.368 20 0 EDADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000554576574 448036395 /nfs/dbraw/zinc/03/63/95/448036395.db2.gz CUDTVKLYJGVIIM-QAPCUYQASA-N 2 2 342.443 1.368 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000576356353 448037193 /nfs/dbraw/zinc/03/71/93/448037193.db2.gz CGDDQQCIGRRALL-HNNXBMFYSA-N 2 2 348.516 1.727 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000576356353 448037196 /nfs/dbraw/zinc/03/71/96/448037196.db2.gz CGDDQQCIGRRALL-HNNXBMFYSA-N 2 2 348.516 1.727 20 0 EDADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570828027 448071905 /nfs/dbraw/zinc/07/19/05/448071905.db2.gz SRTQMNFCUZRUMD-BPLDGKMQSA-N 2 2 326.400 1.646 20 0 EDADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570828027 448071909 /nfs/dbraw/zinc/07/19/09/448071909.db2.gz SRTQMNFCUZRUMD-BPLDGKMQSA-N 2 2 326.400 1.646 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C3CCOCC3)CC2)c1 ZINC000531343852 448066979 /nfs/dbraw/zinc/06/69/79/448066979.db2.gz DUEUIYVUSBWADJ-UHFFFAOYSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C3CCOCC3)CC2)c1 ZINC000531343852 448066983 /nfs/dbraw/zinc/06/69/83/448066983.db2.gz DUEUIYVUSBWADJ-UHFFFAOYSA-N 2 2 345.487 1.750 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1)CCC(F)(F)F ZINC000492026512 448160453 /nfs/dbraw/zinc/16/04/53/448160453.db2.gz ZFFBPTPOFGQYIR-LBPRGKRZSA-N 2 2 335.374 1.845 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1)CCC(F)(F)F ZINC000492026512 448160458 /nfs/dbraw/zinc/16/04/58/448160458.db2.gz ZFFBPTPOFGQYIR-LBPRGKRZSA-N 2 2 335.374 1.845 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccccc2-n2cc[nH+]c2)C[C@H](C)O1 ZINC000571396569 448145768 /nfs/dbraw/zinc/14/57/68/448145768.db2.gz HDTIWYNWIBFNAC-JZXOWHBKSA-N 2 2 344.459 1.432 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531916176 448172301 /nfs/dbraw/zinc/17/23/01/448172301.db2.gz RMFQVQZTGIFAIN-HZPDHXFCSA-N 2 2 347.463 1.436 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)CC2CCCCC2)C[C@H](C)O1 ZINC000576992409 448187539 /nfs/dbraw/zinc/18/75/39/448187539.db2.gz MBXAXFAOCQNOPK-CIRFHOKZSA-N 2 2 328.497 1.377 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H](CO)CC2CCCCC2)C[C@H](C)O1 ZINC000576992409 448187540 /nfs/dbraw/zinc/18/75/40/448187540.db2.gz MBXAXFAOCQNOPK-CIRFHOKZSA-N 2 2 328.497 1.377 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)C1 ZINC000527259317 448197558 /nfs/dbraw/zinc/19/75/58/448197558.db2.gz YHINHVLFXVECDE-GFCCVEGCSA-N 2 2 342.365 1.701 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)C1 ZINC000527259317 448197563 /nfs/dbraw/zinc/19/75/63/448197563.db2.gz YHINHVLFXVECDE-GFCCVEGCSA-N 2 2 342.365 1.701 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000582565449 448275733 /nfs/dbraw/zinc/27/57/33/448275733.db2.gz MULLNSNXDMOTII-INIZCTEOSA-N 2 2 331.464 1.788 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000582565449 448275738 /nfs/dbraw/zinc/27/57/38/448275738.db2.gz MULLNSNXDMOTII-INIZCTEOSA-N 2 2 331.464 1.788 20 0 EDADLP CCCCNc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000577294917 448260449 /nfs/dbraw/zinc/26/04/49/448260449.db2.gz QTYLPJSWXQUWSJ-HNNXBMFYSA-N 2 2 348.495 1.962 20 0 EDADLP CCCCNc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)[nH+]c(N)n1 ZINC000577294917 448260452 /nfs/dbraw/zinc/26/04/52/448260452.db2.gz QTYLPJSWXQUWSJ-HNNXBMFYSA-N 2 2 348.495 1.962 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000572167394 448306358 /nfs/dbraw/zinc/30/63/58/448306358.db2.gz DOROHPMLMGAZEM-PMACEKPBSA-N 3 2 331.504 1.945 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000572167394 448306363 /nfs/dbraw/zinc/30/63/63/448306363.db2.gz DOROHPMLMGAZEM-PMACEKPBSA-N 3 2 331.504 1.945 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000572167394 448306366 /nfs/dbraw/zinc/30/63/66/448306366.db2.gz DOROHPMLMGAZEM-PMACEKPBSA-N 3 2 331.504 1.945 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000572167394 448306368 /nfs/dbraw/zinc/30/63/68/448306368.db2.gz DOROHPMLMGAZEM-PMACEKPBSA-N 3 2 331.504 1.945 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000577484683 448308502 /nfs/dbraw/zinc/30/85/02/448308502.db2.gz JCWPUCZDUPVUTK-MRXNPFEDSA-N 2 2 334.464 1.301 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000577484683 448308504 /nfs/dbraw/zinc/30/85/04/448308504.db2.gz JCWPUCZDUPVUTK-MRXNPFEDSA-N 2 2 334.464 1.301 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281877 448304656 /nfs/dbraw/zinc/30/46/56/448304656.db2.gz QSJNWZJDHVRVQM-KBPBESRZSA-N 2 2 326.416 1.241 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000564873946 448344060 /nfs/dbraw/zinc/34/40/60/448344060.db2.gz VHYZKZJXMITTSC-YOEHRIQHSA-N 2 2 342.443 2.422 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000564873946 448344064 /nfs/dbraw/zinc/34/40/64/448344064.db2.gz VHYZKZJXMITTSC-YOEHRIQHSA-N 2 2 342.443 2.422 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)C1 ZINC000527753720 448351576 /nfs/dbraw/zinc/35/15/76/448351576.db2.gz GSFDCYWWCKKSSZ-ZDUSSCGKSA-N 2 2 328.359 1.861 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)C1 ZINC000527753720 448351581 /nfs/dbraw/zinc/35/15/81/448351581.db2.gz GSFDCYWWCKKSSZ-ZDUSSCGKSA-N 2 2 328.359 1.861 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000565194958 448358894 /nfs/dbraw/zinc/35/88/94/448358894.db2.gz BLSJRVLEPARZDH-HNNXBMFYSA-N 2 2 325.416 1.506 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000565194958 448358900 /nfs/dbraw/zinc/35/89/00/448358900.db2.gz BLSJRVLEPARZDH-HNNXBMFYSA-N 2 2 325.416 1.506 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000533111961 448360434 /nfs/dbraw/zinc/36/04/34/448360434.db2.gz OJXIBSHFKCCLGZ-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000533111961 448360438 /nfs/dbraw/zinc/36/04/38/448360438.db2.gz OJXIBSHFKCCLGZ-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCc2c[nH+]c3n2CCCC3)CCO1 ZINC000515897003 448363303 /nfs/dbraw/zinc/36/33/03/448363303.db2.gz LCQYYCSCMFBXBP-HNNXBMFYSA-N 2 2 335.452 1.129 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCc2c[nH+]c3n2CCCC3)CCO1 ZINC000515897003 448363305 /nfs/dbraw/zinc/36/33/05/448363305.db2.gz LCQYYCSCMFBXBP-HNNXBMFYSA-N 2 2 335.452 1.129 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591451243 448368957 /nfs/dbraw/zinc/36/89/57/448368957.db2.gz PEQJFSLDVKOSRN-DNVCBOLYSA-N 2 2 344.459 1.476 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591451243 448368965 /nfs/dbraw/zinc/36/89/65/448368965.db2.gz PEQJFSLDVKOSRN-DNVCBOLYSA-N 2 2 344.459 1.476 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000582954247 448387249 /nfs/dbraw/zinc/38/72/49/448387249.db2.gz LCTMSAIZHNMSDP-INIZCTEOSA-N 2 2 331.464 1.611 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000577845668 448400552 /nfs/dbraw/zinc/40/05/52/448400552.db2.gz ZDSBGZDBFNPVCN-RDJZCZTQSA-N 2 2 335.423 1.679 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000577845668 448400558 /nfs/dbraw/zinc/40/05/58/448400558.db2.gz ZDSBGZDBFNPVCN-RDJZCZTQSA-N 2 2 335.423 1.679 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000577845667 448400872 /nfs/dbraw/zinc/40/08/72/448400872.db2.gz ZDSBGZDBFNPVCN-NVXWUHKLSA-N 2 2 335.423 1.679 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000577845667 448400877 /nfs/dbraw/zinc/40/08/77/448400877.db2.gz ZDSBGZDBFNPVCN-NVXWUHKLSA-N 2 2 335.423 1.679 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c2[nH+]ccn21 ZINC000527989694 448406259 /nfs/dbraw/zinc/40/62/59/448406259.db2.gz FGIXJYHKHKBYRG-GJZGRUSLSA-N 2 2 347.463 1.785 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000583023580 448406655 /nfs/dbraw/zinc/40/66/55/448406655.db2.gz YLTJLWWQAWJUBA-DNLWUEFJSA-N 3 2 337.512 1.065 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000583023580 448406657 /nfs/dbraw/zinc/40/66/57/448406657.db2.gz YLTJLWWQAWJUBA-DNLWUEFJSA-N 3 2 337.512 1.065 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380571 /nfs/dbraw/zinc/38/05/71/448380571.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 3 2 343.515 1.868 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380577 /nfs/dbraw/zinc/38/05/77/448380577.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380584 /nfs/dbraw/zinc/38/05/84/448380584.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380590 /nfs/dbraw/zinc/38/05/90/448380590.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000572603881 448420660 /nfs/dbraw/zinc/42/06/60/448420660.db2.gz PMJFEZGONRIXEK-PMPSAXMXSA-N 2 2 332.448 1.743 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000572603881 448420667 /nfs/dbraw/zinc/42/06/67/448420667.db2.gz PMJFEZGONRIXEK-PMPSAXMXSA-N 2 2 332.448 1.743 20 0 EDADLP COc1ccc(C)cc1CC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000577947915 448422910 /nfs/dbraw/zinc/42/29/10/448422910.db2.gz HCGZYZXDVXRXGH-BQFCYCMXSA-N 2 2 336.476 1.606 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)C[C@H](C)O1 ZINC000577948006 448423538 /nfs/dbraw/zinc/42/35/38/448423538.db2.gz KHPZSUJEDDHXGI-FSNPWBFUSA-N 2 2 349.475 1.361 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)C[C@H](C)O1 ZINC000577948006 448423542 /nfs/dbraw/zinc/42/35/42/448423542.db2.gz KHPZSUJEDDHXGI-FSNPWBFUSA-N 2 2 349.475 1.361 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865754 448426245 /nfs/dbraw/zinc/42/62/45/448426245.db2.gz ZEBQFHHAHHPQIJ-MRXNPFEDSA-N 2 2 342.443 1.877 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865754 448426248 /nfs/dbraw/zinc/42/62/48/448426248.db2.gz ZEBQFHHAHHPQIJ-MRXNPFEDSA-N 2 2 342.443 1.877 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000566250353 448430936 /nfs/dbraw/zinc/43/09/36/448430936.db2.gz UGNSONWRZJRLRP-DAYGRLMNSA-N 2 2 331.460 1.441 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000566250353 448430940 /nfs/dbraw/zinc/43/09/40/448430940.db2.gz UGNSONWRZJRLRP-DAYGRLMNSA-N 2 2 331.460 1.441 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000572751755 448457164 /nfs/dbraw/zinc/45/71/64/448457164.db2.gz STIGETKARDKSRI-HZPDHXFCSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000572751755 448457169 /nfs/dbraw/zinc/45/71/69/448457169.db2.gz STIGETKARDKSRI-HZPDHXFCSA-N 2 2 337.851 1.490 20 0 EDADLP Cc1cc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)c(C)c[nH+]1 ZINC000535061027 448482597 /nfs/dbraw/zinc/48/25/97/448482597.db2.gz OZWLGJLSZPZLSM-UHFFFAOYSA-N 2 2 347.463 1.219 20 0 EDADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000566479960 448488172 /nfs/dbraw/zinc/48/81/72/448488172.db2.gz DTPJOUWQSOTXHJ-UHFFFAOYSA-N 2 2 330.432 1.928 20 0 EDADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000566479960 448488176 /nfs/dbraw/zinc/48/81/76/448488176.db2.gz DTPJOUWQSOTXHJ-UHFFFAOYSA-N 2 2 330.432 1.928 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863372 448472826 /nfs/dbraw/zinc/47/28/26/448472826.db2.gz AGXMCHZUWBUZJJ-LBPRGKRZSA-N 2 2 331.420 1.335 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000566569234 448510682 /nfs/dbraw/zinc/51/06/82/448510682.db2.gz MGTCBUWONROBSK-AWEZNQCLSA-N 2 2 327.856 1.891 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000566569234 448510686 /nfs/dbraw/zinc/51/06/86/448510686.db2.gz MGTCBUWONROBSK-AWEZNQCLSA-N 2 2 327.856 1.891 20 0 EDADLP O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869290 448515053 /nfs/dbraw/zinc/51/50/53/448515053.db2.gz OPZULRKDRYHDEY-GJZGRUSLSA-N 2 2 345.399 1.689 20 0 EDADLP O[C@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869290 448515059 /nfs/dbraw/zinc/51/50/59/448515059.db2.gz OPZULRKDRYHDEY-GJZGRUSLSA-N 2 2 345.399 1.689 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000573217000 448572702 /nfs/dbraw/zinc/57/27/02/448572702.db2.gz WDXXVQWHYPVUIE-QGZVFWFLSA-N 2 2 337.439 1.333 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000573217000 448572708 /nfs/dbraw/zinc/57/27/08/448572708.db2.gz WDXXVQWHYPVUIE-QGZVFWFLSA-N 2 2 337.439 1.333 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000517224750 448554583 /nfs/dbraw/zinc/55/45/83/448554583.db2.gz QLJGDDHEGVRMRJ-FVQBIDKESA-N 2 2 331.464 1.531 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000578662921 448607160 /nfs/dbraw/zinc/60/71/60/448607160.db2.gz AVOIZZIOSUXAES-UHFFFAOYSA-N 2 2 330.432 1.572 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000578707485 448613063 /nfs/dbraw/zinc/61/30/63/448613063.db2.gz BNQDVMJRFPAUEQ-UHFFFAOYSA-N 2 2 342.403 1.129 20 0 EDADLP Cc1nc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000538707169 448593623 /nfs/dbraw/zinc/59/36/23/448593623.db2.gz TVEVSXPBZLSULS-YOEHRIQHSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000538707169 448593626 /nfs/dbraw/zinc/59/36/26/448593626.db2.gz TVEVSXPBZLSULS-YOEHRIQHSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N(C)C)nc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000538707169 448593632 /nfs/dbraw/zinc/59/36/32/448593632.db2.gz TVEVSXPBZLSULS-YOEHRIQHSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N(C)C)nc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000538707169 448593635 /nfs/dbraw/zinc/59/36/35/448593635.db2.gz TVEVSXPBZLSULS-YOEHRIQHSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000566968513 448594237 /nfs/dbraw/zinc/59/42/37/448594237.db2.gz VWSOPZAXSLOJFN-KRWDZBQOSA-N 2 2 342.443 2.566 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000566968513 448594242 /nfs/dbraw/zinc/59/42/42/448594242.db2.gz VWSOPZAXSLOJFN-KRWDZBQOSA-N 2 2 342.443 2.566 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573316979 448595377 /nfs/dbraw/zinc/59/53/77/448595377.db2.gz SJPNCRNJBYRPSA-YRXWBPOGSA-N 3 2 341.540 1.558 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573316979 448595380 /nfs/dbraw/zinc/59/53/80/448595380.db2.gz SJPNCRNJBYRPSA-YRXWBPOGSA-N 3 2 341.540 1.558 20 0 EDADLP C[C@@H]1CCC[NH+](CCCC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573316979 448595384 /nfs/dbraw/zinc/59/53/84/448595384.db2.gz SJPNCRNJBYRPSA-YRXWBPOGSA-N 3 2 341.540 1.558 20 0 EDADLP C[C@@H]1CCC[NH+](CCCC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573316979 448595388 /nfs/dbraw/zinc/59/53/88/448595388.db2.gz SJPNCRNJBYRPSA-YRXWBPOGSA-N 3 2 341.540 1.558 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000578744172 448625021 /nfs/dbraw/zinc/62/50/21/448625021.db2.gz NADWHQZNBNEGOL-IHRRRGAJSA-N 2 2 336.867 1.870 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000578744172 448625029 /nfs/dbraw/zinc/62/50/29/448625029.db2.gz NADWHQZNBNEGOL-IHRRRGAJSA-N 2 2 336.867 1.870 20 0 EDADLP CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c[nH+]1 ZINC000528712967 448641176 /nfs/dbraw/zinc/64/11/76/448641176.db2.gz FCLGPDPMUXJMLF-UHFFFAOYSA-N 2 2 341.415 1.951 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000567222367 448641409 /nfs/dbraw/zinc/64/14/09/448641409.db2.gz NANVBCUCBJUNGV-QGZVFWFLSA-N 2 2 346.475 1.283 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000567222367 448641415 /nfs/dbraw/zinc/64/14/15/448641415.db2.gz NANVBCUCBJUNGV-QGZVFWFLSA-N 2 2 346.475 1.283 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000573494959 448641505 /nfs/dbraw/zinc/64/15/05/448641505.db2.gz FNTULGFUZMGRRB-KRWDZBQOSA-N 2 2 341.459 1.821 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000573494959 448641512 /nfs/dbraw/zinc/64/15/12/448641512.db2.gz FNTULGFUZMGRRB-KRWDZBQOSA-N 2 2 341.459 1.821 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)CC1 ZINC000528761181 448666065 /nfs/dbraw/zinc/66/60/65/448666065.db2.gz FUGKYJHMJWQAJE-UHFFFAOYSA-N 2 2 341.459 1.064 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000518356962 448668028 /nfs/dbraw/zinc/66/80/28/448668028.db2.gz GAOARRVSCUTLBC-QGZVFWFLSA-N 2 2 331.460 1.681 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000518356962 448668033 /nfs/dbraw/zinc/66/80/33/448668033.db2.gz GAOARRVSCUTLBC-QGZVFWFLSA-N 2 2 331.460 1.681 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccc(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000573699524 448694785 /nfs/dbraw/zinc/69/47/85/448694785.db2.gz LIFUOQCRIQVUBA-LLVKDONJSA-N 2 2 331.247 1.778 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(Cl)c2Cl)[C@H](C[NH3+])C1 ZINC000573699524 448694788 /nfs/dbraw/zinc/69/47/88/448694788.db2.gz LIFUOQCRIQVUBA-LLVKDONJSA-N 2 2 331.247 1.778 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000573774266 448707055 /nfs/dbraw/zinc/70/70/55/448707055.db2.gz YFQDEORAJJIECO-MRXNPFEDSA-N 2 2 327.432 1.386 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000573774266 448707057 /nfs/dbraw/zinc/70/70/57/448707057.db2.gz YFQDEORAJJIECO-MRXNPFEDSA-N 2 2 327.432 1.386 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)[C@H](C[NH3+])C1 ZINC000579089605 448710270 /nfs/dbraw/zinc/71/02/70/448710270.db2.gz ZPBOVJZDIFTQSF-LLVKDONJSA-N 2 2 337.493 1.864 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)[C@H](C[NH3+])C1 ZINC000579089605 448710275 /nfs/dbraw/zinc/71/02/75/448710275.db2.gz ZPBOVJZDIFTQSF-LLVKDONJSA-N 2 2 337.493 1.864 20 0 EDADLP Cc1cccn2cc(CC(=O)NCCN3CCC([NH+](C)C)CC3)[nH+]c12 ZINC000573791366 448712817 /nfs/dbraw/zinc/71/28/17/448712817.db2.gz SVCMJQOVXXGCPS-UHFFFAOYSA-N 2 2 343.475 1.327 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000541537553 448678222 /nfs/dbraw/zinc/67/82/22/448678222.db2.gz UFTZOJRQICUHNJ-UHFFFAOYSA-N 2 2 335.415 1.688 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000567366495 448678771 /nfs/dbraw/zinc/67/87/71/448678771.db2.gz AHKGQUVRIKBJQN-UHFFFAOYSA-N 2 2 330.432 1.317 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000567366495 448678775 /nfs/dbraw/zinc/67/87/75/448678775.db2.gz AHKGQUVRIKBJQN-UHFFFAOYSA-N 2 2 330.432 1.317 20 0 EDADLP COc1ccc2[nH+]c(C)nc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000574010598 448767233 /nfs/dbraw/zinc/76/72/33/448767233.db2.gz IEIRZKASEBIRJQ-GASCZTMLSA-N 2 2 328.416 2.222 20 0 EDADLP COc1ccc2[nH+]c(C)nc(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000574010598 448767237 /nfs/dbraw/zinc/76/72/37/448767237.db2.gz IEIRZKASEBIRJQ-GASCZTMLSA-N 2 2 328.416 2.222 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000518996832 448730864 /nfs/dbraw/zinc/73/08/64/448730864.db2.gz FAOYYEJVGBNVOC-XJKSGUPXSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000518996832 448730866 /nfs/dbraw/zinc/73/08/66/448730866.db2.gz FAOYYEJVGBNVOC-XJKSGUPXSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000567684844 448738077 /nfs/dbraw/zinc/73/80/77/448738077.db2.gz PCSLDSZZTVOCTL-XNRPHZJLSA-N 2 2 334.416 1.227 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000567684844 448738087 /nfs/dbraw/zinc/73/80/87/448738087.db2.gz PCSLDSZZTVOCTL-XNRPHZJLSA-N 2 2 334.416 1.227 20 0 EDADLP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000567748759 448749950 /nfs/dbraw/zinc/74/99/50/448749950.db2.gz IKHURRNDYBZDFF-CQSZACIVSA-N 2 2 345.472 1.506 20 0 EDADLP Cc1c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)nnn1C1CC[NH2+]CC1 ZINC000567784083 448760850 /nfs/dbraw/zinc/76/08/50/448760850.db2.gz GAXSHAKIVZIJHE-AWEZNQCLSA-N 2 2 343.435 1.602 20 0 EDADLP CCO[C@@H](CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000574180715 448811983 /nfs/dbraw/zinc/81/19/83/448811983.db2.gz XIPBNKNYNCKSAV-CVEARBPZSA-N 2 2 326.485 1.256 20 0 EDADLP CCO[C@@H](CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000574180715 448811987 /nfs/dbraw/zinc/81/19/87/448811987.db2.gz XIPBNKNYNCKSAV-CVEARBPZSA-N 2 2 326.485 1.256 20 0 EDADLP Cn1c2c(cccc2F)[nH+]c1N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000579334470 448768960 /nfs/dbraw/zinc/76/89/60/448768960.db2.gz HTJVLTVJQHEUAI-GFCCVEGCSA-N 2 2 329.383 1.604 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC(C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000529366114 448842374 /nfs/dbraw/zinc/84/23/74/448842374.db2.gz HVMMDLHTOCXMSS-UHFFFAOYSA-N 2 2 334.468 1.701 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529366780 448842752 /nfs/dbraw/zinc/84/27/52/448842752.db2.gz MVJHEZQUIQOQFI-OAHLLOKOSA-N 2 2 348.495 2.104 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC(F)(F)C[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000574461403 448879797 /nfs/dbraw/zinc/87/97/97/448879797.db2.gz YBLZUFFBTZQVBT-VXGBXAGGSA-N 2 2 342.390 1.296 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579712313 448860475 /nfs/dbraw/zinc/86/04/75/448860475.db2.gz RLWXOUORFUMFLY-HNNXBMFYSA-N 2 2 342.443 1.559 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N(C)c2ccccc2C(=O)OC)CC[C@@H]1[NH3+] ZINC000592489683 448861262 /nfs/dbraw/zinc/86/12/62/448861262.db2.gz ZPOWSGIYIBIOKN-ZFWWWQNUSA-N 2 2 333.432 1.495 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N(C)c2ccccc2C(=O)OC)CC[C@@H]1[NH3+] ZINC000592489683 448861267 /nfs/dbraw/zinc/86/12/67/448861267.db2.gz ZPOWSGIYIBIOKN-ZFWWWQNUSA-N 2 2 333.432 1.495 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528822 448896654 /nfs/dbraw/zinc/89/66/54/448896654.db2.gz OJWDQKTYVBLFET-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528822 448896656 /nfs/dbraw/zinc/89/66/56/448896656.db2.gz OJWDQKTYVBLFET-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528822 448896661 /nfs/dbraw/zinc/89/66/61/448896661.db2.gz OJWDQKTYVBLFET-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP Cc1cn(C2CCCCC2)nc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000520542658 448907948 /nfs/dbraw/zinc/90/79/48/448907948.db2.gz XWQOZFAGOOUWLX-OAHLLOKOSA-N 2 2 334.468 1.803 20 0 EDADLP Cc1cn(C2CCCCC2)nc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000520542658 448907952 /nfs/dbraw/zinc/90/79/52/448907952.db2.gz XWQOZFAGOOUWLX-OAHLLOKOSA-N 2 2 334.468 1.803 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000579932256 448912082 /nfs/dbraw/zinc/91/20/82/448912082.db2.gz BVOGMYCAWAVHJB-MRXNPFEDSA-N 2 2 332.448 1.274 20 0 EDADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000579946862 448917234 /nfs/dbraw/zinc/91/72/34/448917234.db2.gz COKHPRNKLOXDSY-MJGOQNOKSA-N 3 2 348.535 1.314 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000568828083 448923292 /nfs/dbraw/zinc/92/32/92/448923292.db2.gz DFJSPGYEJMUZAS-KRWDZBQOSA-N 2 2 325.497 1.270 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000568828083 448923303 /nfs/dbraw/zinc/92/33/03/448923303.db2.gz DFJSPGYEJMUZAS-KRWDZBQOSA-N 2 2 325.497 1.270 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCCCC[NH+]3CCN(C)CC3)ccn12 ZINC000579970383 448925360 /nfs/dbraw/zinc/92/53/60/448925360.db2.gz CQVKLAYVCOJHKC-UHFFFAOYSA-N 2 2 329.448 1.400 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568856547 448926968 /nfs/dbraw/zinc/92/69/68/448926968.db2.gz VGLRJHIAXXRYDF-OWCLPIDISA-N 2 2 339.867 1.826 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)cc[nH+]1 ZINC000520357425 448887196 /nfs/dbraw/zinc/88/71/96/448887196.db2.gz JVASKRLASVBYKM-INIZCTEOSA-N 2 2 346.479 1.349 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)cc[nH+]1 ZINC000520357425 448887197 /nfs/dbraw/zinc/88/71/97/448887197.db2.gz JVASKRLASVBYKM-INIZCTEOSA-N 2 2 346.479 1.349 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000521267729 448968423 /nfs/dbraw/zinc/96/84/23/448968423.db2.gz XHEUOZQQSXSWSR-YCPHGPKFSA-N 2 2 330.432 1.202 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000521267729 448968439 /nfs/dbraw/zinc/96/84/39/448968439.db2.gz XHEUOZQQSXSWSR-YCPHGPKFSA-N 2 2 330.432 1.202 20 0 EDADLP CCC(=O)N1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000574910232 448987451 /nfs/dbraw/zinc/98/74/51/448987451.db2.gz HEQPOMRVTWTGHK-UHFFFAOYSA-N 2 2 345.487 1.963 20 0 EDADLP CCC(=O)N1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000574910232 448987456 /nfs/dbraw/zinc/98/74/56/448987456.db2.gz HEQPOMRVTWTGHK-UHFFFAOYSA-N 2 2 345.487 1.963 20 0 EDADLP Cc1cc(NCCNC(=O)c2ccc3c[nH+]cn3c2)nc(C(C)C)[nH+]1 ZINC000529844789 448982678 /nfs/dbraw/zinc/98/26/78/448982678.db2.gz LJEUXZMSBALEKD-UHFFFAOYSA-N 2 2 338.415 2.398 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccccc1F ZINC000568926621 448939311 /nfs/dbraw/zinc/93/93/11/448939311.db2.gz CUWCYWPSINYJPC-WMLDXEAASA-N 2 2 332.423 1.693 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1F ZINC000568926621 448939313 /nfs/dbraw/zinc/93/93/13/448939313.db2.gz CUWCYWPSINYJPC-WMLDXEAASA-N 2 2 332.423 1.693 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000582052400 448998954 /nfs/dbraw/zinc/99/89/54/448998954.db2.gz MSNBWKFDWCZUKM-GJZGRUSLSA-N 2 2 348.495 1.576 20 0 EDADLP COc1ccc2nc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)sc2c1 ZINC000582133285 449020800 /nfs/dbraw/zinc/02/08/00/449020800.db2.gz QPVDIXZHYJQSGT-JQWIXIFHSA-N 2 2 332.429 1.049 20 0 EDADLP COc1cccc([C@H]2C[C@H](NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])C2)c1 ZINC000569441508 449024998 /nfs/dbraw/zinc/02/49/98/449024998.db2.gz PSAWWSXZXHVBNV-BZUAXINKSA-N 2 2 332.448 1.226 20 0 EDADLP COc1cccc([C@H]2C[C@H](NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])C2)c1 ZINC000569441508 449025002 /nfs/dbraw/zinc/02/50/02/449025002.db2.gz PSAWWSXZXHVBNV-BZUAXINKSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000574913562 448988952 /nfs/dbraw/zinc/98/89/52/448988952.db2.gz CAVFPDQMBDBNGZ-YJBOKZPZSA-N 2 2 347.459 1.012 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530215899 449085036 /nfs/dbraw/zinc/08/50/36/449085036.db2.gz KDEUTSJWFAXIBP-HOTGVXAUSA-N 2 2 335.473 1.586 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000569612153 449059021 /nfs/dbraw/zinc/05/90/21/449059021.db2.gz UOHQYKJEYSDXDL-AWEZNQCLSA-N 2 2 331.254 1.860 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000569612153 449059029 /nfs/dbraw/zinc/05/90/29/449059029.db2.gz UOHQYKJEYSDXDL-AWEZNQCLSA-N 2 2 331.254 1.860 20 0 EDADLP COCC(=O)Nc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000575243693 449068834 /nfs/dbraw/zinc/06/88/34/449068834.db2.gz ZPTPAMJQXDVYIU-SJLPKXTDSA-N 2 2 333.432 1.128 20 0 EDADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530241709 449092405 /nfs/dbraw/zinc/09/24/05/449092405.db2.gz HXPLSIYESOONOO-UHFFFAOYSA-N 2 2 336.867 1.791 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000603933883 449161013 /nfs/dbraw/zinc/16/10/13/449161013.db2.gz XXWPJZCJDUDKMG-QGZVFWFLSA-N 3 2 333.480 1.509 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000603933883 449161019 /nfs/dbraw/zinc/16/10/19/449161019.db2.gz XXWPJZCJDUDKMG-QGZVFWFLSA-N 3 2 333.480 1.509 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000604106279 449178120 /nfs/dbraw/zinc/17/81/20/449178120.db2.gz HDEGAPDPXIRKKY-WBVHZDCISA-N 2 2 331.464 1.564 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604106279 449178127 /nfs/dbraw/zinc/17/81/27/449178127.db2.gz HDEGAPDPXIRKKY-WBVHZDCISA-N 2 2 331.464 1.564 20 0 EDADLP CCC[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207707 449193211 /nfs/dbraw/zinc/19/32/11/449193211.db2.gz APVZCRKMYPBGMJ-RHSMWYFYSA-N 2 2 326.485 1.005 20 0 EDADLP CCC[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207707 449193215 /nfs/dbraw/zinc/19/32/15/449193215.db2.gz APVZCRKMYPBGMJ-RHSMWYFYSA-N 2 2 326.485 1.005 20 0 EDADLP CN(Cc1cccc(O)c1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209832 449194977 /nfs/dbraw/zinc/19/49/77/449194977.db2.gz SLRPWTLZGYRWFG-INIZCTEOSA-N 2 2 346.475 1.702 20 0 EDADLP CN(Cc1cccc(O)c1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209832 449194980 /nfs/dbraw/zinc/19/49/80/449194980.db2.gz SLRPWTLZGYRWFG-INIZCTEOSA-N 2 2 346.475 1.702 20 0 EDADLP COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000595904515 449244495 /nfs/dbraw/zinc/24/44/95/449244495.db2.gz FAVVCQLPMONWOM-CRAIPNDOSA-N 2 2 336.432 1.392 20 0 EDADLP COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000595904515 449244498 /nfs/dbraw/zinc/24/44/98/449244498.db2.gz FAVVCQLPMONWOM-CRAIPNDOSA-N 2 2 336.432 1.392 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000595929630 449259555 /nfs/dbraw/zinc/25/95/55/449259555.db2.gz NSCGDTKINSZGSO-IEBWSBKVSA-N 2 2 342.487 1.459 20 0 EDADLP COC(=O)C(C)(C)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000593906293 449275592 /nfs/dbraw/zinc/27/55/92/449275592.db2.gz TUWAKEQXUJQCIB-HUUCEWRRSA-N 2 2 335.448 1.322 20 0 EDADLP C[C@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000606681579 449503993 /nfs/dbraw/zinc/50/39/93/449503993.db2.gz HMLGRFWRKBSTRG-KKUMJFAQSA-N 2 2 326.485 1.125 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3cccs3)C2)CC1 ZINC000602391176 449558174 /nfs/dbraw/zinc/55/81/74/449558174.db2.gz WIYUBOCPDPARFS-CQSZACIVSA-N 2 2 336.505 1.758 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3cccs3)C2)CC1 ZINC000602391176 449558176 /nfs/dbraw/zinc/55/81/76/449558176.db2.gz WIYUBOCPDPARFS-CQSZACIVSA-N 2 2 336.505 1.758 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)[nH]c1C ZINC000602471628 449618843 /nfs/dbraw/zinc/61/88/43/449618843.db2.gz BVMUMXRKVKBLER-INIZCTEOSA-N 2 2 334.464 1.322 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[nH]c1C ZINC000602471628 449618845 /nfs/dbraw/zinc/61/88/45/449618845.db2.gz BVMUMXRKVKBLER-INIZCTEOSA-N 2 2 334.464 1.322 20 0 EDADLP CCOC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)on1 ZINC000602484859 449627034 /nfs/dbraw/zinc/62/70/34/449627034.db2.gz JFMIAXSTYFXAIN-APHBMKBZSA-N 2 2 337.420 1.535 20 0 EDADLP CCOC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)on1 ZINC000602484859 449627042 /nfs/dbraw/zinc/62/70/42/449627042.db2.gz JFMIAXSTYFXAIN-APHBMKBZSA-N 2 2 337.420 1.535 20 0 EDADLP CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000617507515 449657829 /nfs/dbraw/zinc/65/78/29/449657829.db2.gz ZSZRTFDFAMYGDB-CWRNSKLLSA-N 2 2 325.497 1.626 20 0 EDADLP CC(=O)[C@@H]1C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000617507515 449657840 /nfs/dbraw/zinc/65/78/40/449657840.db2.gz ZSZRTFDFAMYGDB-CWRNSKLLSA-N 2 2 325.497 1.626 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2O1 ZINC000612400514 449679727 /nfs/dbraw/zinc/67/97/27/449679727.db2.gz NMIGQRMFFAKXAL-ZIAGYGMSSA-N 2 2 340.427 1.870 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc2O1 ZINC000612400514 449679732 /nfs/dbraw/zinc/67/97/32/449679732.db2.gz NMIGQRMFFAKXAL-ZIAGYGMSSA-N 2 2 340.427 1.870 20 0 EDADLP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2)CC1 ZINC000607948512 449680058 /nfs/dbraw/zinc/68/00/58/449680058.db2.gz NSUSDRXYYUHUOI-UHFFFAOYSA-N 2 2 327.432 1.870 20 0 EDADLP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2)CC1 ZINC000607948512 449680060 /nfs/dbraw/zinc/68/00/60/449680060.db2.gz NSUSDRXYYUHUOI-UHFFFAOYSA-N 2 2 327.432 1.870 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740405 449785290 /nfs/dbraw/zinc/78/52/90/449785290.db2.gz BCARCXCIUVRHMV-KBPBESRZSA-N 2 2 347.463 1.631 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740405 449785299 /nfs/dbraw/zinc/78/52/99/449785299.db2.gz BCARCXCIUVRHMV-KBPBESRZSA-N 2 2 347.463 1.631 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614662740 449745593 /nfs/dbraw/zinc/74/55/93/449745593.db2.gz GXRIACBWJNXXHP-KGLIPLIRSA-N 2 2 337.468 1.565 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614662740 449745598 /nfs/dbraw/zinc/74/55/98/449745598.db2.gz GXRIACBWJNXXHP-KGLIPLIRSA-N 2 2 337.468 1.565 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(OC(F)F)cn1 ZINC000617764770 449825146 /nfs/dbraw/zinc/82/51/46/449825146.db2.gz FSUNEGCFMTVWJU-UHFFFAOYSA-N 2 2 330.379 1.296 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(OC(F)F)cn1 ZINC000617764770 449825152 /nfs/dbraw/zinc/82/51/52/449825152.db2.gz FSUNEGCFMTVWJU-UHFFFAOYSA-N 2 2 330.379 1.296 20 0 EDADLP CN1CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617765998 449828709 /nfs/dbraw/zinc/82/87/09/449828709.db2.gz YOYMLBCIDHGRDH-QGZVFWFLSA-N 2 2 332.492 1.610 20 0 EDADLP CN1CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617765998 449828713 /nfs/dbraw/zinc/82/87/13/449828713.db2.gz YOYMLBCIDHGRDH-QGZVFWFLSA-N 2 2 332.492 1.610 20 0 EDADLP COc1cc(Cl)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767200 449831561 /nfs/dbraw/zinc/83/15/61/449831561.db2.gz KGAPQPWJUGFWEF-UHFFFAOYSA-N 2 2 327.856 1.962 20 0 EDADLP COc1cc(Cl)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767200 449831565 /nfs/dbraw/zinc/83/15/65/449831565.db2.gz KGAPQPWJUGFWEF-UHFFFAOYSA-N 2 2 327.856 1.962 20 0 EDADLP CCc1noc2ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc12 ZINC000617767440 449831710 /nfs/dbraw/zinc/83/17/10/449831710.db2.gz VPFLYXNENQLTGT-UHFFFAOYSA-N 2 2 333.436 1.399 20 0 EDADLP CCc1noc2ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000617767440 449831712 /nfs/dbraw/zinc/83/17/12/449831712.db2.gz VPFLYXNENQLTGT-UHFFFAOYSA-N 2 2 333.436 1.399 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)[C@H](C)CO1 ZINC000617734739 449796015 /nfs/dbraw/zinc/79/60/15/449796015.db2.gz HEYNBADFJXRVMH-HZPDHXFCSA-N 2 2 349.475 1.466 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)[C@H](C)CO1 ZINC000617734739 449796019 /nfs/dbraw/zinc/79/60/19/449796019.db2.gz HEYNBADFJXRVMH-HZPDHXFCSA-N 2 2 349.475 1.466 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000597224238 449881892 /nfs/dbraw/zinc/88/18/92/449881892.db2.gz BDYBEFZJCBIYKG-OAHLLOKOSA-N 2 2 336.407 1.955 20 0 EDADLP C[C@@]1(NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000612862272 449915369 /nfs/dbraw/zinc/91/53/69/449915369.db2.gz GOYSVWMKFULQNL-CZUORRHYSA-N 2 2 338.477 1.173 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000609258473 449985752 /nfs/dbraw/zinc/98/57/52/449985752.db2.gz YDOUMSRNRJNJEC-GOEBONIOSA-N 2 2 348.447 1.320 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000609258473 449985759 /nfs/dbraw/zinc/98/57/59/449985759.db2.gz YDOUMSRNRJNJEC-GOEBONIOSA-N 2 2 348.447 1.320 20 0 EDADLP Cc1cnn(CCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601478567 450000968 /nfs/dbraw/zinc/00/09/68/450000968.db2.gz NNUIREKDBRJPSQ-KRWDZBQOSA-N 2 2 333.480 1.209 20 0 EDADLP Cc1cnn(CCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601478567 450000972 /nfs/dbraw/zinc/00/09/72/450000972.db2.gz NNUIREKDBRJPSQ-KRWDZBQOSA-N 2 2 333.480 1.209 20 0 EDADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000615305780 450055713 /nfs/dbraw/zinc/05/57/13/450055713.db2.gz XQHYASUNOCBVER-RHSMWYFYSA-N 2 2 332.448 1.078 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCOC ZINC000613160312 450057169 /nfs/dbraw/zinc/05/71/69/450057169.db2.gz CMMYZTLFXARGMJ-BZUAXINKSA-N 2 2 334.464 1.483 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCOC ZINC000613160312 450057178 /nfs/dbraw/zinc/05/71/78/450057178.db2.gz CMMYZTLFXARGMJ-BZUAXINKSA-N 2 2 334.464 1.483 20 0 EDADLP O=C(CC[N@@H+]1CCn2c[nH+]cc2C1)NC(=O)NCc1ccccc1 ZINC000595492725 450182222 /nfs/dbraw/zinc/18/22/22/450182222.db2.gz ATNWBLAFLDIZNB-UHFFFAOYSA-N 2 2 327.388 1.115 20 0 EDADLP O=C(CC[N@H+]1CCn2c[nH+]cc2C1)NC(=O)NCc1ccccc1 ZINC000595492725 450182229 /nfs/dbraw/zinc/18/22/29/450182229.db2.gz ATNWBLAFLDIZNB-UHFFFAOYSA-N 2 2 327.388 1.115 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000618527439 450232155 /nfs/dbraw/zinc/23/21/55/450232155.db2.gz YWSFMCVWUIFVPQ-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000618527439 450232157 /nfs/dbraw/zinc/23/21/57/450232157.db2.gz YWSFMCVWUIFVPQ-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000601796467 450244430 /nfs/dbraw/zinc/24/44/30/450244430.db2.gz QFDCOBGMXFANBM-CVEARBPZSA-N 2 2 331.464 1.988 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000601796467 450244437 /nfs/dbraw/zinc/24/44/37/450244437.db2.gz QFDCOBGMXFANBM-CVEARBPZSA-N 2 2 331.464 1.988 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2cc[nH+]c(C(C)(C)C)n2)CC1 ZINC000610514919 450250528 /nfs/dbraw/zinc/25/05/28/450250528.db2.gz DPNMFEALYVGSAG-UHFFFAOYSA-N 2 2 334.464 2.461 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCSCC1 ZINC000618663853 450267433 /nfs/dbraw/zinc/26/74/33/450267433.db2.gz NCBLLJVBKBTIJW-CABCVRRESA-N 2 2 325.522 1.947 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCSCC1 ZINC000618663853 450267440 /nfs/dbraw/zinc/26/74/40/450267440.db2.gz NCBLLJVBKBTIJW-CABCVRRESA-N 2 2 325.522 1.947 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000623270451 450472479 /nfs/dbraw/zinc/47/24/79/450472479.db2.gz GVWVFVBKBRMUKN-DOTOQJQBSA-N 2 2 342.418 1.975 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000623270451 450472481 /nfs/dbraw/zinc/47/24/81/450472481.db2.gz GVWVFVBKBRMUKN-DOTOQJQBSA-N 2 2 342.418 1.975 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)s1 ZINC000623617658 450552186 /nfs/dbraw/zinc/55/21/86/450552186.db2.gz HGOFMUIYYSLVGK-NSHDSACASA-N 2 2 346.294 1.940 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Br)s1 ZINC000623617658 450552187 /nfs/dbraw/zinc/55/21/87/450552187.db2.gz HGOFMUIYYSLVGK-NSHDSACASA-N 2 2 346.294 1.940 20 0 EDADLP C[C@@H]1CC(F)(F)CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000623639329 450557203 /nfs/dbraw/zinc/55/72/03/450557203.db2.gz OCWRQQLGNLSOGJ-KGLIPLIRSA-N 2 2 344.450 1.984 20 0 EDADLP C[C@@H]1CC(F)(F)CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000623639329 450557206 /nfs/dbraw/zinc/55/72/06/450557206.db2.gz OCWRQQLGNLSOGJ-KGLIPLIRSA-N 2 2 344.450 1.984 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000626087107 450572960 /nfs/dbraw/zinc/57/29/60/450572960.db2.gz CENPBVBSDAPIGX-KRWDZBQOSA-N 2 2 337.508 1.964 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620968474 450567069 /nfs/dbraw/zinc/56/70/69/450567069.db2.gz UQVATMANRWBTBR-MRXNPFEDSA-N 2 2 344.459 1.914 20 0 EDADLP CC[NH+]1CCC(NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000623705036 450568152 /nfs/dbraw/zinc/56/81/52/450568152.db2.gz BATJEYURFADGMO-UHFFFAOYSA-N 2 2 348.495 2.104 20 0 EDADLP Cc1cc(NCCNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000623726081 450573902 /nfs/dbraw/zinc/57/39/02/450573902.db2.gz XVKDSJJDBJXCIX-CQSZACIVSA-N 2 2 348.495 2.102 20 0 EDADLP Cc1cc(NCCNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000623726081 450573904 /nfs/dbraw/zinc/57/39/04/450573904.db2.gz XVKDSJJDBJXCIX-CQSZACIVSA-N 2 2 348.495 2.102 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626127890 450579906 /nfs/dbraw/zinc/57/99/06/450579906.db2.gz ZQPKQZBHQDEYFF-HOTGVXAUSA-N 2 2 340.439 1.563 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626127890 450579907 /nfs/dbraw/zinc/57/99/07/450579907.db2.gz ZQPKQZBHQDEYFF-HOTGVXAUSA-N 2 2 340.439 1.563 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626127890 450579909 /nfs/dbraw/zinc/57/99/09/450579909.db2.gz ZQPKQZBHQDEYFF-HOTGVXAUSA-N 2 2 340.439 1.563 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626127890 450579911 /nfs/dbraw/zinc/57/99/11/450579911.db2.gz ZQPKQZBHQDEYFF-HOTGVXAUSA-N 2 2 340.439 1.563 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627256610 450584618 /nfs/dbraw/zinc/58/46/18/450584618.db2.gz PYHIUCSQQGLLCP-QZTJIDSGSA-N 2 2 340.427 1.213 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000627256610 450584623 /nfs/dbraw/zinc/58/46/23/450584623.db2.gz PYHIUCSQQGLLCP-QZTJIDSGSA-N 2 2 340.427 1.213 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623890699 450625962 /nfs/dbraw/zinc/62/59/62/450625962.db2.gz UKUURZSDAJCTHU-KBAYOESNSA-N 2 2 346.475 1.137 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623890699 450625970 /nfs/dbraw/zinc/62/59/70/450625970.db2.gz UKUURZSDAJCTHU-KBAYOESNSA-N 2 2 346.475 1.137 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623890699 450625977 /nfs/dbraw/zinc/62/59/77/450625977.db2.gz UKUURZSDAJCTHU-KBAYOESNSA-N 2 2 346.475 1.137 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623890699 450625984 /nfs/dbraw/zinc/62/59/84/450625984.db2.gz UKUURZSDAJCTHU-KBAYOESNSA-N 2 2 346.475 1.137 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000623968010 450654729 /nfs/dbraw/zinc/65/47/29/450654729.db2.gz PUVRCHVRUIVVDY-ZWKOTPCHSA-N 2 2 346.475 1.138 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000623968010 450654737 /nfs/dbraw/zinc/65/47/37/450654737.db2.gz PUVRCHVRUIVVDY-ZWKOTPCHSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000623968010 450654745 /nfs/dbraw/zinc/65/47/45/450654745.db2.gz PUVRCHVRUIVVDY-ZWKOTPCHSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000623968010 450654751 /nfs/dbraw/zinc/65/47/51/450654751.db2.gz PUVRCHVRUIVVDY-ZWKOTPCHSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2c[nH]nc2-c2ccco2)CC1 ZINC000631625651 450681943 /nfs/dbraw/zinc/68/19/43/450681943.db2.gz PFXBWARIURCYBZ-UHFFFAOYSA-N 2 2 331.420 1.426 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(CC4CC4)C3)CC2)CC1 ZINC000621449269 450728917 /nfs/dbraw/zinc/72/89/17/450728917.db2.gz KSWCRUDQJCPIGN-UHFFFAOYSA-N 2 2 334.508 1.987 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C[NH+]1CCCC1 ZINC000629562703 450737583 /nfs/dbraw/zinc/73/75/83/450737583.db2.gz COHILJTZWNSFQZ-FQEVSTJZSA-N 3 2 347.503 1.190 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743789 450745165 /nfs/dbraw/zinc/74/51/65/450745165.db2.gz BYJJBFALFBLEGJ-BASLNEPJSA-N 2 2 341.521 1.452 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743789 450745170 /nfs/dbraw/zinc/74/51/70/450745170.db2.gz BYJJBFALFBLEGJ-BASLNEPJSA-N 2 2 341.521 1.452 20 0 EDADLP O[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C[NH+]1CCCC1 ZINC000629583338 450749166 /nfs/dbraw/zinc/74/91/66/450749166.db2.gz ZHKUPLRRJRHNKA-BZUAXINKSA-N 2 2 346.393 1.567 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629584553 450750019 /nfs/dbraw/zinc/75/00/19/450750019.db2.gz BHTWNOMABWJPHN-LZQZEXGQSA-N 2 2 329.444 1.732 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629584553 450750024 /nfs/dbraw/zinc/75/00/24/450750024.db2.gz BHTWNOMABWJPHN-LZQZEXGQSA-N 2 2 329.444 1.732 20 0 EDADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C[NH2+]1 ZINC000629660003 450773679 /nfs/dbraw/zinc/77/36/79/450773679.db2.gz LQNUXFACYKVBEC-WBVHZDCISA-N 2 2 331.460 1.918 20 0 EDADLP OCC[NH2+]C1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000631861462 450832234 /nfs/dbraw/zinc/83/22/34/450832234.db2.gz BUBGUPCFJYAUIU-UHFFFAOYSA-N 2 2 328.359 1.597 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C3(C[NH+](C)C)CC3)c[nH+]2)C[C@H](C)O1 ZINC000635314764 450839025 /nfs/dbraw/zinc/83/90/25/450839025.db2.gz MKQFVYBKXVGNGG-GJZGRUSLSA-N 2 2 346.475 1.653 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nccnc3C)CC2)CC1 ZINC000621715484 450846308 /nfs/dbraw/zinc/84/63/08/450846308.db2.gz WDQNMQSEMGFIJT-UHFFFAOYSA-N 2 2 345.491 1.551 20 0 EDADLP CC[C@@H](C(=O)N(CC)C1CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000627616457 450848021 /nfs/dbraw/zinc/84/80/21/450848021.db2.gz QBCVBOPRRWDTKE-IRXDYDNUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N(CC)C1CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000627616457 450848026 /nfs/dbraw/zinc/84/80/26/450848026.db2.gz QBCVBOPRRWDTKE-IRXDYDNUSA-N 2 2 325.497 1.819 20 0 EDADLP CCOc1cncc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000621718429 450848725 /nfs/dbraw/zinc/84/87/25/450848725.db2.gz HQYGBLAQZVXTOF-LPHOPBHVSA-N 2 2 332.492 1.938 20 0 EDADLP CCOc1cncc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000621718429 450848731 /nfs/dbraw/zinc/84/87/31/450848731.db2.gz HQYGBLAQZVXTOF-LPHOPBHVSA-N 2 2 332.492 1.938 20 0 EDADLP CCN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000627619198 450849311 /nfs/dbraw/zinc/84/93/11/450849311.db2.gz WXNBCTVBQNDAPQ-UHFFFAOYSA-N 2 2 345.491 1.146 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631890172 450850135 /nfs/dbraw/zinc/85/01/35/450850135.db2.gz NBSUPOZRKWJUEA-GBESFXJTSA-N 3 2 344.503 1.479 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631890172 450850141 /nfs/dbraw/zinc/85/01/41/450850141.db2.gz NBSUPOZRKWJUEA-GBESFXJTSA-N 3 2 344.503 1.479 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)CC2 ZINC000626705735 450861810 /nfs/dbraw/zinc/86/18/10/450861810.db2.gz DLFDKXSJWHFUCN-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)CC2 ZINC000626705735 450861815 /nfs/dbraw/zinc/86/18/15/450861815.db2.gz DLFDKXSJWHFUCN-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP O=C([C@@H]1OCC[C@@H]1Cn1cc[nH+]c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000621808016 450870770 /nfs/dbraw/zinc/87/07/70/450870770.db2.gz VZPNDZCAIWPHOZ-HUUCEWRRSA-N 2 2 329.404 1.418 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624611299 450921081 /nfs/dbraw/zinc/92/10/81/450921081.db2.gz NRCCHYMOISCEOG-BRWVUGGUSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624611299 450921085 /nfs/dbraw/zinc/92/10/85/450921085.db2.gz NRCCHYMOISCEOG-BRWVUGGUSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000624616701 450925782 /nfs/dbraw/zinc/92/57/82/450925782.db2.gz JCPFJAWAPCHWAD-GOSISDBHSA-N 2 2 345.491 1.641 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000624616701 450925784 /nfs/dbraw/zinc/92/57/84/450925784.db2.gz JCPFJAWAPCHWAD-GOSISDBHSA-N 2 2 345.491 1.641 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cn1 ZINC000635463154 450962926 /nfs/dbraw/zinc/96/29/26/450962926.db2.gz FLNIPQYFPUWVJE-GFCCVEGCSA-N 2 2 344.341 1.773 20 0 EDADLP CCc1c[nH]c(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)[nH+]1 ZINC000635465451 450964706 /nfs/dbraw/zinc/96/47/06/450964706.db2.gz PQWFTZARNOJUJY-MRXNPFEDSA-N 3 2 335.496 1.389 20 0 EDADLP CCc1c[nH]c(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)[nH+]1 ZINC000635465451 450964711 /nfs/dbraw/zinc/96/47/11/450964711.db2.gz PQWFTZARNOJUJY-MRXNPFEDSA-N 3 2 335.496 1.389 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000624728999 450966511 /nfs/dbraw/zinc/96/65/11/450966511.db2.gz CEVHFPDWWRLEKB-OAHLLOKOSA-N 2 2 348.447 1.273 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000624728999 450966515 /nfs/dbraw/zinc/96/65/15/450966515.db2.gz CEVHFPDWWRLEKB-OAHLLOKOSA-N 2 2 348.447 1.273 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000624738808 450974803 /nfs/dbraw/zinc/97/48/03/450974803.db2.gz NIAZOPAILAXDSS-KBAYOESNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000624738808 450974808 /nfs/dbraw/zinc/97/48/08/450974808.db2.gz NIAZOPAILAXDSS-KBAYOESNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000624738808 450974813 /nfs/dbraw/zinc/97/48/13/450974813.db2.gz NIAZOPAILAXDSS-KBAYOESNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000624738808 450974820 /nfs/dbraw/zinc/97/48/20/450974820.db2.gz NIAZOPAILAXDSS-KBAYOESNSA-N 2 2 346.475 1.279 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000626926888 451009788 /nfs/dbraw/zinc/00/97/88/451009788.db2.gz PMMYQKRXWUMKJI-DLBZAZTESA-N 2 2 327.432 1.871 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCOCC1 ZINC000626929354 451012840 /nfs/dbraw/zinc/01/28/40/451012840.db2.gz LIRMGCHFJAPYLQ-UHFFFAOYSA-N 2 2 337.811 1.295 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000626934153 451016560 /nfs/dbraw/zinc/01/65/60/451016560.db2.gz UEYVZKBDNLQOTO-IAGOWNOFSA-N 2 2 332.448 1.029 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635532595 451028114 /nfs/dbraw/zinc/02/81/14/451028114.db2.gz JXYXCDCHJUOYGC-QWHCGFSZSA-N 2 2 347.385 1.129 20 0 EDADLP C[NH+](C)C1(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCOCC1 ZINC000635566183 451064503 /nfs/dbraw/zinc/06/45/03/451064503.db2.gz VOINZAOEVFZMNN-LBPRGKRZSA-N 2 2 348.369 1.604 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897887 451082104 /nfs/dbraw/zinc/08/21/04/451082104.db2.gz OYYCOYHYPXMVFS-MRXNPFEDSA-N 2 2 340.427 1.496 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000628015968 451088844 /nfs/dbraw/zinc/08/88/44/451088844.db2.gz NYQQUVOOOGQZGR-LVQVYYBASA-N 2 2 334.464 1.368 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000628015968 451088849 /nfs/dbraw/zinc/08/88/49/451088849.db2.gz NYQQUVOOOGQZGR-LVQVYYBASA-N 2 2 334.464 1.368 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC2 ZINC000628050829 451105780 /nfs/dbraw/zinc/10/57/80/451105780.db2.gz NHXDXHDLPCUAMC-HOCLYGCPSA-N 3 2 335.496 1.142 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000628050829 451105784 /nfs/dbraw/zinc/10/57/84/451105784.db2.gz NHXDXHDLPCUAMC-HOCLYGCPSA-N 3 2 335.496 1.142 20 0 EDADLP CCC(C)(C)[C@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000635615613 451106504 /nfs/dbraw/zinc/10/65/04/451106504.db2.gz PAQXFTDJOHVPFH-MRXNPFEDSA-N 2 2 339.524 1.850 20 0 EDADLP Cc1cc(NCCNC(=O)NC[C@H]2CCCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000627065407 451109548 /nfs/dbraw/zinc/10/95/48/451109548.db2.gz GPIRQERBEDDEGD-CQSZACIVSA-N 2 2 334.468 1.762 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000627082541 451115510 /nfs/dbraw/zinc/11/55/10/451115510.db2.gz GRODQHWVCSKBEL-ZWKOTPCHSA-N 2 2 342.443 1.469 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000627082541 451115516 /nfs/dbraw/zinc/11/55/16/451115516.db2.gz GRODQHWVCSKBEL-ZWKOTPCHSA-N 2 2 342.443 1.469 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCCC[NH+]1CCOCC1 ZINC000630404308 451169781 /nfs/dbraw/zinc/16/97/81/451169781.db2.gz CFHGGSFGAVDJQI-UHFFFAOYSA-N 2 2 328.416 1.253 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627253160 451210040 /nfs/dbraw/zinc/21/00/40/451210040.db2.gz RGDOARXPWALTAA-AWEZNQCLSA-N 2 2 344.381 1.576 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccccc2CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627253160 451210044 /nfs/dbraw/zinc/21/00/44/451210044.db2.gz RGDOARXPWALTAA-AWEZNQCLSA-N 2 2 344.381 1.576 20 0 EDADLP Cc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc(=O)[nH]1 ZINC000634193118 451227654 /nfs/dbraw/zinc/22/76/54/451227654.db2.gz CELWQTZFURZTED-UHFFFAOYSA-N 2 2 327.388 1.495 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCCc4nn[nH]c43)c2)CC1 ZINC000634193634 451229039 /nfs/dbraw/zinc/22/90/39/451229039.db2.gz MDQPGKPTKXUQKD-CYBMUJFWSA-N 2 2 341.419 1.010 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCCc4n[nH]nc43)c2)CC1 ZINC000634193634 451229054 /nfs/dbraw/zinc/22/90/54/451229054.db2.gz MDQPGKPTKXUQKD-CYBMUJFWSA-N 2 2 341.419 1.010 20 0 EDADLP CC[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[NH+](CC)CC ZINC000634195563 451233076 /nfs/dbraw/zinc/23/30/76/451233076.db2.gz DAHSSDFRGXEFBA-MRXNPFEDSA-N 3 2 333.480 1.892 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[C@H](C)C1 ZINC000635818834 451266137 /nfs/dbraw/zinc/26/61/37/451266137.db2.gz MRJUUIJBRHSHDY-FRRDWIJNSA-N 2 2 348.369 1.290 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[C@H](C)C1 ZINC000635818834 451266139 /nfs/dbraw/zinc/26/61/39/451266139.db2.gz MRJUUIJBRHSHDY-FRRDWIJNSA-N 2 2 348.369 1.290 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000638114308 451282375 /nfs/dbraw/zinc/28/23/75/451282375.db2.gz YNLAMNWTTXJCPF-RTBURBONSA-N 2 2 347.503 1.810 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[N@@H+]1C ZINC000634304797 451289685 /nfs/dbraw/zinc/28/96/85/451289685.db2.gz UYUKUPVOTXSZIK-UKRRQHHQSA-N 2 2 334.489 1.591 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[N@H+]1C ZINC000634304797 451289689 /nfs/dbraw/zinc/28/96/89/451289689.db2.gz UYUKUPVOTXSZIK-UKRRQHHQSA-N 2 2 334.489 1.591 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)CCC3C[NH2+]C3)CC2)cc(OC)c1 ZINC000638131923 451303549 /nfs/dbraw/zinc/30/35/49/451303549.db2.gz NHZNMJVXQOACDR-UHFFFAOYSA-N 2 2 347.459 1.348 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195161 451349798 /nfs/dbraw/zinc/34/97/98/451349798.db2.gz RFBMDAOIHIEHFQ-LJQANCHMSA-N 2 2 338.455 1.365 20 0 EDADLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)c1ccccc1 ZINC000640516794 451368004 /nfs/dbraw/zinc/36/80/04/451368004.db2.gz MCBZYLFSALMAAM-KSZLIROESA-N 2 2 345.487 1.905 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630685325 451339975 /nfs/dbraw/zinc/33/99/75/451339975.db2.gz UEYRGHJKBZAKPA-IPMKNSEASA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[N@H+]1C ZINC000630685325 451339979 /nfs/dbraw/zinc/33/99/79/451339979.db2.gz UEYRGHJKBZAKPA-IPMKNSEASA-N 2 2 345.487 1.906 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)c1ccco1 ZINC000636662026 451393226 /nfs/dbraw/zinc/39/32/26/451393226.db2.gz KQSNLXSUHJIQEU-GJZGRUSLSA-N 2 2 338.452 1.292 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)c1ccco1 ZINC000636662026 451393229 /nfs/dbraw/zinc/39/32/29/451393229.db2.gz KQSNLXSUHJIQEU-GJZGRUSLSA-N 2 2 338.452 1.292 20 0 EDADLP C[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000636703107 451429121 /nfs/dbraw/zinc/42/91/21/451429121.db2.gz QSZGDDUYTNORKH-CQSZACIVSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000636703107 451429126 /nfs/dbraw/zinc/42/91/26/451429126.db2.gz QSZGDDUYTNORKH-CQSZACIVSA-N 2 2 343.431 1.005 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638347554 451450688 /nfs/dbraw/zinc/45/06/88/451450688.db2.gz SVZBTLPNEZZHHW-UHFFFAOYSA-N 3 2 341.459 1.301 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC1(F)F ZINC000638351729 451452886 /nfs/dbraw/zinc/45/28/86/451452886.db2.gz IQYVKVILQJZJIG-KGLIPLIRSA-N 2 2 325.407 1.622 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640607471 451455510 /nfs/dbraw/zinc/45/55/10/451455510.db2.gz MQBBPCKQTWJEQI-UHFFFAOYSA-N 2 2 335.452 1.329 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000640616261 451463797 /nfs/dbraw/zinc/46/37/97/451463797.db2.gz DWWWYCFJRFZZHE-IYBDPMFKSA-N 2 2 333.436 1.128 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccn1 ZINC000640616261 451463800 /nfs/dbraw/zinc/46/38/00/451463800.db2.gz DWWWYCFJRFZZHE-IYBDPMFKSA-N 2 2 333.436 1.128 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)Nc2ccnc(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000640618626 451466637 /nfs/dbraw/zinc/46/66/37/451466637.db2.gz MENMSRNCHZJQIH-UONOGXRCSA-N 2 2 335.452 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccnc(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000640618626 451466645 /nfs/dbraw/zinc/46/66/45/451466645.db2.gz MENMSRNCHZJQIH-UONOGXRCSA-N 2 2 335.452 1.374 20 0 EDADLP O[C@]1(CNCC[NH+]2CCSCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704200 451479063 /nfs/dbraw/zinc/47/90/63/451479063.db2.gz HMFYSUVHVJGFNJ-SFHVURJKSA-N 2 2 335.517 1.262 20 0 EDADLP O[C@]1(CNCC[NH+]2CCSCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704200 451479070 /nfs/dbraw/zinc/47/90/70/451479070.db2.gz HMFYSUVHVJGFNJ-SFHVURJKSA-N 2 2 335.517 1.262 20 0 EDADLP O[C@@]1(C[NH2+]CCCCn2cc[nH+]c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704654 451480325 /nfs/dbraw/zinc/48/03/25/451480325.db2.gz NKRNQHJGHNOUAQ-LJQANCHMSA-N 3 2 328.460 1.890 20 0 EDADLP O[C@@]1(C[NH2+]CCCCn2cc[nH+]c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704654 451480328 /nfs/dbraw/zinc/48/03/28/451480328.db2.gz NKRNQHJGHNOUAQ-LJQANCHMSA-N 3 2 328.460 1.890 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000630862330 451446143 /nfs/dbraw/zinc/44/61/43/451446143.db2.gz GZUFLJOGMAVBFJ-OAHLLOKOSA-N 2 2 330.476 1.860 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc[nH+]1 ZINC000640601978 451448595 /nfs/dbraw/zinc/44/85/95/451448595.db2.gz REMJTMVOVJMHSL-UHFFFAOYSA-N 2 2 340.431 1.892 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000634714949 451495871 /nfs/dbraw/zinc/49/58/71/451495871.db2.gz UUNUJSKDUQXIPR-NEWSRXKRSA-N 2 2 348.487 1.532 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000634714949 451495874 /nfs/dbraw/zinc/49/58/74/451495874.db2.gz UUNUJSKDUQXIPR-NEWSRXKRSA-N 2 2 348.487 1.532 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC(Cc4ccco4)C3)C2)CC1 ZINC000636790787 451511213 /nfs/dbraw/zinc/51/12/13/451511213.db2.gz BOGMUCOCSSLOIU-MRXNPFEDSA-N 2 2 346.475 1.632 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC(Cc4ccco4)C3)C2)CC1 ZINC000636790787 451511217 /nfs/dbraw/zinc/51/12/17/451511217.db2.gz BOGMUCOCSSLOIU-MRXNPFEDSA-N 2 2 346.475 1.632 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)C(C)(C)O)C2)CC1 ZINC000636791748 451511718 /nfs/dbraw/zinc/51/17/18/451511718.db2.gz LHBXXAPRQHDIHG-ZDUSSCGKSA-N 2 2 326.485 1.004 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC(C)(C)C(C)(C)O)C2)CC1 ZINC000636791748 451511722 /nfs/dbraw/zinc/51/17/22/451511722.db2.gz LHBXXAPRQHDIHG-ZDUSSCGKSA-N 2 2 326.485 1.004 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000632679441 451517677 /nfs/dbraw/zinc/51/76/77/451517677.db2.gz ICPVWRYEPMGZSL-AWEZNQCLSA-N 2 2 342.443 1.994 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@H+]1CC(C)(C)O ZINC000632679441 451517682 /nfs/dbraw/zinc/51/76/82/451517682.db2.gz ICPVWRYEPMGZSL-AWEZNQCLSA-N 2 2 342.443 1.994 20 0 EDADLP O=C(CC[NH2+]CCC[C@H]1CCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000638453796 451523144 /nfs/dbraw/zinc/52/31/44/451523144.db2.gz IMKIRJRAASRPOO-INIZCTEOSA-N 2 2 332.448 1.279 20 0 EDADLP COc1ccccc1[C@@H](CNc1nc(C)[nH+]c(N)n1)[NH+]1CCCC1 ZINC000631042453 451549003 /nfs/dbraw/zinc/54/90/03/451549003.db2.gz IVUCUIOUSFWESS-CQSZACIVSA-N 2 2 328.420 1.442 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000634782055 451546546 /nfs/dbraw/zinc/54/65/46/451546546.db2.gz ZIYFXLJCSDMMQQ-CALCHBBNSA-N 2 2 345.443 1.036 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2COC[C@@H]2C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000634782055 451546552 /nfs/dbraw/zinc/54/65/52/451546552.db2.gz ZIYFXLJCSDMMQQ-CALCHBBNSA-N 2 2 345.443 1.036 20 0 EDADLP Nc1nc(N)c(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c[nH+]1 ZINC000638513457 451552796 /nfs/dbraw/zinc/55/27/96/451552796.db2.gz LZTNADCMGARUGF-INIZCTEOSA-N 2 2 326.448 1.619 20 0 EDADLP Cc1cc(NCCNC(=O)CC[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000638583738 451589760 /nfs/dbraw/zinc/58/97/60/451589760.db2.gz DOEOLMRRGMQFNE-OAHLLOKOSA-N 2 2 333.480 2.216 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000638618354 451611385 /nfs/dbraw/zinc/61/13/85/451611385.db2.gz GAJSWLVVOLCLKZ-IRXDYDNUSA-N 2 2 335.423 1.285 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000638618354 451611388 /nfs/dbraw/zinc/61/13/88/451611388.db2.gz GAJSWLVVOLCLKZ-IRXDYDNUSA-N 2 2 335.423 1.285 20 0 EDADLP O=C1CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CCN1 ZINC000634960736 451624918 /nfs/dbraw/zinc/62/49/18/451624918.db2.gz AZZDQUVNESTSIO-HNNXBMFYSA-N 2 2 325.522 1.996 20 0 EDADLP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2nc(C)[nH+]c(N)n2)cc1 ZINC000631201718 451638527 /nfs/dbraw/zinc/63/85/27/451638527.db2.gz UZPPUVNQTYQKPZ-OAHLLOKOSA-N 2 2 328.420 2.020 20 0 EDADLP O=C1[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1C1CCOCC1 ZINC000631206734 451639176 /nfs/dbraw/zinc/63/91/76/451639176.db2.gz CHQIKNDMRRXLAD-INIZCTEOSA-N 2 2 346.456 1.803 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000638682509 451650408 /nfs/dbraw/zinc/65/04/08/451650408.db2.gz WKUVIMWFFOKSMW-HNNXBMFYSA-N 2 2 349.479 1.397 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000638697692 451657369 /nfs/dbraw/zinc/65/73/69/451657369.db2.gz FGINGYACPPYVPB-TZMCWYRMSA-N 2 2 342.846 1.453 20 0 EDADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636462703 451720120 /nfs/dbraw/zinc/72/01/20/451720120.db2.gz MSCYIFPGFSFYQD-GDBMZVCRSA-N 2 2 343.431 1.927 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641042984 451739836 /nfs/dbraw/zinc/73/98/36/451739836.db2.gz KLSIYMYLQFQSSY-KRWDZBQOSA-N 2 2 346.475 1.665 20 0 EDADLP Cc1cc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc(N2CCCC2)[nH+]1 ZINC000637156258 451743013 /nfs/dbraw/zinc/74/30/13/451743013.db2.gz MNIRKGFDABNLKU-OAHLLOKOSA-N 2 2 340.431 1.611 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2nc3ccccc3o2)C1=O ZINC000638979578 451744644 /nfs/dbraw/zinc/74/46/44/451744644.db2.gz FSZYXUYCYJTKOK-CQSZACIVSA-N 2 2 339.399 1.842 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc2c([nH]1)CCCC2 ZINC000638984399 451745866 /nfs/dbraw/zinc/74/58/66/451745866.db2.gz WDQUGQVYBGZQHC-UHFFFAOYSA-N 2 2 325.416 1.950 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000638989191 451748413 /nfs/dbraw/zinc/74/84/13/451748413.db2.gz NJZUYHLBMOPLIF-HNNXBMFYSA-N 2 2 334.489 1.641 20 0 EDADLP C[N@H+](CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CCC1 ZINC000641119192 451754681 /nfs/dbraw/zinc/75/46/81/451754681.db2.gz LEFTXOAUPJSEIM-UHFFFAOYSA-N 2 2 334.489 1.735 20 0 EDADLP C[N@@H+](CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CCC1 ZINC000641119192 451754684 /nfs/dbraw/zinc/75/46/84/451754684.db2.gz LEFTXOAUPJSEIM-UHFFFAOYSA-N 2 2 334.489 1.735 20 0 EDADLP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@H]1O ZINC000639085573 451765628 /nfs/dbraw/zinc/76/56/28/451765628.db2.gz IKBOBNJLUUFJAX-LJQANCHMSA-N 2 2 348.487 1.990 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@H]1O ZINC000639085573 451765630 /nfs/dbraw/zinc/76/56/30/451765630.db2.gz IKBOBNJLUUFJAX-LJQANCHMSA-N 2 2 348.487 1.990 20 0 EDADLP C[C@H]1C[N@H+](CCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCCO1 ZINC000639122209 451771924 /nfs/dbraw/zinc/77/19/24/451771924.db2.gz RRTODUAZIDJHOO-INIZCTEOSA-N 3 2 327.513 1.312 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCCO1 ZINC000639122209 451771926 /nfs/dbraw/zinc/77/19/26/451771926.db2.gz RRTODUAZIDJHOO-INIZCTEOSA-N 3 2 327.513 1.312 20 0 EDADLP CN(Cc1c2c(nn1C)CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639171523 451784781 /nfs/dbraw/zinc/78/47/81/451784781.db2.gz BZKFHZBCOLKNNC-KRWDZBQOSA-N 2 2 345.535 1.899 20 0 EDADLP CN(Cc1c2c(nn1C)CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639171523 451784782 /nfs/dbraw/zinc/78/47/82/451784782.db2.gz BZKFHZBCOLKNNC-KRWDZBQOSA-N 2 2 345.535 1.899 20 0 EDADLP Cn1nc2c(c1C[N@H+](C)[C@H]1CCN(C3CC[NH+](C)CC3)C1)CCCC2 ZINC000639171523 451784783 /nfs/dbraw/zinc/78/47/83/451784783.db2.gz BZKFHZBCOLKNNC-KRWDZBQOSA-N 2 2 345.535 1.899 20 0 EDADLP Cn1nc2c(c1C[N@@H+](C)[C@H]1CCN(C3CC[NH+](C)CC3)C1)CCCC2 ZINC000639171523 451784784 /nfs/dbraw/zinc/78/47/84/451784784.db2.gz BZKFHZBCOLKNNC-KRWDZBQOSA-N 2 2 345.535 1.899 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639179540 451786606 /nfs/dbraw/zinc/78/66/06/451786606.db2.gz TZCVDCCKBVMDMS-YPMHNXCESA-N 2 2 329.491 1.312 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639179540 451786609 /nfs/dbraw/zinc/78/66/09/451786609.db2.gz TZCVDCCKBVMDMS-YPMHNXCESA-N 2 2 329.491 1.312 20 0 EDADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639179540 451786611 /nfs/dbraw/zinc/78/66/11/451786611.db2.gz TZCVDCCKBVMDMS-YPMHNXCESA-N 2 2 329.491 1.312 20 0 EDADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639179540 451786612 /nfs/dbraw/zinc/78/66/12/451786612.db2.gz TZCVDCCKBVMDMS-YPMHNXCESA-N 2 2 329.491 1.312 20 0 EDADLP CC[N@H+](C)C[C@H](O)Cn1cc(Cn2c(C)[nH+]c3ccccc32)nn1 ZINC000641221475 451787852 /nfs/dbraw/zinc/78/78/52/451787852.db2.gz HFBRTKRRHAHNFO-HNNXBMFYSA-N 2 2 328.420 1.297 20 0 EDADLP CC[N@@H+](C)C[C@H](O)Cn1cc(Cn2c(C)[nH+]c3ccccc32)nn1 ZINC000641221475 451787853 /nfs/dbraw/zinc/78/78/53/451787853.db2.gz HFBRTKRRHAHNFO-HNNXBMFYSA-N 2 2 328.420 1.297 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(Cc3ccc(OCC[NH+]4CCOCC4)cc3)[C@@H]2C1 ZINC000639200623 451790121 /nfs/dbraw/zinc/79/01/21/451790121.db2.gz LLBVSGLRLSZZRR-AZUAARDMSA-N 2 2 345.487 1.534 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(Cc3ccc(OCC[NH+]4CCOCC4)cc3)[C@@H]2C1 ZINC000639200623 451790122 /nfs/dbraw/zinc/79/01/22/451790122.db2.gz LLBVSGLRLSZZRR-AZUAARDMSA-N 2 2 345.487 1.534 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCCn2cc[nH+]c2)C1 ZINC000641251570 451793849 /nfs/dbraw/zinc/79/38/49/451793849.db2.gz UYFAYPLBFOAKDT-UHFFFAOYSA-N 2 2 334.445 1.240 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCCn2cc[nH+]c2)C1 ZINC000641251570 451793852 /nfs/dbraw/zinc/79/38/52/451793852.db2.gz UYFAYPLBFOAKDT-UHFFFAOYSA-N 2 2 334.445 1.240 20 0 EDADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC(C)(C)CO ZINC000639221490 451794197 /nfs/dbraw/zinc/79/41/97/451794197.db2.gz DGVLXQPXQAVEHU-UHFFFAOYSA-N 2 2 336.476 1.848 20 0 EDADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC(C)(C)CO ZINC000639221490 451794198 /nfs/dbraw/zinc/79/41/98/451794198.db2.gz DGVLXQPXQAVEHU-UHFFFAOYSA-N 2 2 336.476 1.848 20 0 EDADLP Cc1nc2ccccc2nc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000639350127 451839955 /nfs/dbraw/zinc/83/99/55/451839955.db2.gz VRTQWVFEJODZHT-KRWDZBQOSA-N 2 2 327.432 1.368 20 0 EDADLP Cc1nc2ccccc2nc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000639350127 451839962 /nfs/dbraw/zinc/83/99/62/451839962.db2.gz VRTQWVFEJODZHT-KRWDZBQOSA-N 2 2 327.432 1.368 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H]3CCCNC3=O)c2cc1C ZINC000644555693 451857603 /nfs/dbraw/zinc/85/76/03/451857603.db2.gz NTGOFQMRSLBZGZ-CABCVRRESA-N 2 2 330.432 1.130 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)[NH+](C)C1CC1 ZINC000641335469 451859176 /nfs/dbraw/zinc/85/91/76/451859176.db2.gz DUOLQZVUXQICBU-ZDUSSCGKSA-N 2 2 337.489 1.436 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)[NH+](C)C1CC1 ZINC000641335469 451859178 /nfs/dbraw/zinc/85/91/78/451859178.db2.gz DUOLQZVUXQICBU-ZDUSSCGKSA-N 2 2 337.489 1.436 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1cccc2c1CC[NH+](C)C2)[N@H+](C)C1CC1 ZINC000641335469 451859180 /nfs/dbraw/zinc/85/91/80/451859180.db2.gz DUOLQZVUXQICBU-ZDUSSCGKSA-N 2 2 337.489 1.436 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1cccc2c1CC[NH+](C)C2)[N@@H+](C)C1CC1 ZINC000641335469 451859183 /nfs/dbraw/zinc/85/91/83/451859183.db2.gz DUOLQZVUXQICBU-ZDUSSCGKSA-N 2 2 337.489 1.436 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000641367966 451901080 /nfs/dbraw/zinc/90/10/80/451901080.db2.gz PHTUBSFUGNTPTA-UHFFFAOYSA-N 2 2 326.466 1.210 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000649209206 451905230 /nfs/dbraw/zinc/90/52/30/451905230.db2.gz GVZFAFJJJWSECD-WBVHZDCISA-N 2 2 332.448 1.159 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCCC(=O)N3)c2cc1C ZINC000644634822 451906739 /nfs/dbraw/zinc/90/67/39/451906739.db2.gz AZMLUXMGVOJZOI-LSDHHAIUSA-N 2 2 330.432 1.272 20 0 EDADLP O=C(CCCn1cc[nH+]c1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000644693997 451940335 /nfs/dbraw/zinc/94/03/35/451940335.db2.gz UXXRTOCHXQQGSG-QGZVFWFLSA-N 2 2 328.416 1.869 20 0 EDADLP O=C(CCCn1cc[nH+]c1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000644693997 451940344 /nfs/dbraw/zinc/94/03/44/451940344.db2.gz UXXRTOCHXQQGSG-QGZVFWFLSA-N 2 2 328.416 1.869 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cc1F ZINC000649280416 451952871 /nfs/dbraw/zinc/95/28/71/451952871.db2.gz QENDNSBXKUHVFD-BMFZPTHFSA-N 2 2 333.407 1.229 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000649285719 451959317 /nfs/dbraw/zinc/95/93/17/451959317.db2.gz PHUGLPGHRUGYLF-UHFFFAOYSA-N 2 2 330.432 1.142 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000653591460 452029119 /nfs/dbraw/zinc/02/91/19/452029119.db2.gz HYFFYDHXJFYQTA-HOTGVXAUSA-N 2 2 340.427 1.329 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000653591460 452029125 /nfs/dbraw/zinc/02/91/25/452029125.db2.gz HYFFYDHXJFYQTA-HOTGVXAUSA-N 2 2 340.427 1.329 20 0 EDADLP O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccccc1C[NH+]1CCOCC1 ZINC000647055877 452033204 /nfs/dbraw/zinc/03/32/04/452033204.db2.gz JYNGNVZAEVWVOD-KRWDZBQOSA-N 2 2 329.444 1.391 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000637711968 452035597 /nfs/dbraw/zinc/03/55/97/452035597.db2.gz XWPWGXRIBGJYEV-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000637711968 452035605 /nfs/dbraw/zinc/03/56/05/452035605.db2.gz XWPWGXRIBGJYEV-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP Brc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000649411648 452073407 /nfs/dbraw/zinc/07/34/07/452073407.db2.gz OJKSBAQRXRVTPL-GFCCVEGCSA-N 2 2 325.254 1.576 20 0 EDADLP c1csc(-c2noc(CN3CC[NH+](C[C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000649411394 452074128 /nfs/dbraw/zinc/07/41/28/452074128.db2.gz SAXLICMDSRCLEK-ZDUSSCGKSA-N 2 2 333.461 1.525 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000649415337 452078246 /nfs/dbraw/zinc/07/82/46/452078246.db2.gz VUHPHULMGGWWRZ-OAGGEKHMSA-N 2 2 331.464 1.380 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000649415337 452078249 /nfs/dbraw/zinc/07/82/49/452078249.db2.gz VUHPHULMGGWWRZ-OAGGEKHMSA-N 2 2 331.464 1.380 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)c1ccccc1 ZINC000637800159 452088917 /nfs/dbraw/zinc/08/89/17/452088917.db2.gz ZKHOZUXFLRYPPI-RDJZCZTQSA-N 2 2 346.475 1.006 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](Cc3nc([C@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647149008 452091074 /nfs/dbraw/zinc/09/10/74/452091074.db2.gz BGDQHGJXMFETGN-HZPDHXFCSA-N 2 2 328.416 1.938 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](Cc3nc([C@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647149008 452091079 /nfs/dbraw/zinc/09/10/79/452091079.db2.gz BGDQHGJXMFETGN-HZPDHXFCSA-N 2 2 328.416 1.938 20 0 EDADLP CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000653741030 452097837 /nfs/dbraw/zinc/09/78/37/452097837.db2.gz AMYZNXHKVRLWIR-GJZGRUSLSA-N 2 2 337.489 1.141 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC000637823481 452102197 /nfs/dbraw/zinc/10/21/97/452102197.db2.gz JBHULBJTVHRELA-AWEZNQCLSA-N 2 2 340.431 1.197 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)C[NH+]1CCCC1 ZINC000647173065 452105676 /nfs/dbraw/zinc/10/56/76/452105676.db2.gz VERCLOWSIIXSEC-LBPRGKRZSA-N 2 2 329.441 1.295 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000639766776 452108396 /nfs/dbraw/zinc/10/83/96/452108396.db2.gz QROUAJDGJJTSJP-LJQANCHMSA-N 2 2 345.443 1.061 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000639766776 452108400 /nfs/dbraw/zinc/10/84/00/452108400.db2.gz QROUAJDGJJTSJP-LJQANCHMSA-N 2 2 345.443 1.061 20 0 EDADLP COc1ncncc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000647178849 452109463 /nfs/dbraw/zinc/10/94/63/452109463.db2.gz ODKWNSMWXICJPD-SFHVURJKSA-N 2 2 341.459 1.564 20 0 EDADLP O=C1C[C@H]([NH2+]C2CCC(F)(F)CC2)CN1CC[NH+]1CCOCC1 ZINC000647185153 452112627 /nfs/dbraw/zinc/11/26/27/452112627.db2.gz QVOPWTSCZJOYFK-AWEZNQCLSA-N 2 2 331.407 1.087 20 0 EDADLP Oc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000643310708 452127277 /nfs/dbraw/zinc/12/72/77/452127277.db2.gz CAXJKWWDBHSPJK-QFBILLFUSA-N 2 2 345.487 1.766 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793544 452132944 /nfs/dbraw/zinc/13/29/44/452132944.db2.gz UWUHRQFQGWPDEP-IRXDYDNUSA-N 2 2 344.459 1.358 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793544 452132946 /nfs/dbraw/zinc/13/29/46/452132946.db2.gz UWUHRQFQGWPDEP-IRXDYDNUSA-N 2 2 344.459 1.358 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793544 452132949 /nfs/dbraw/zinc/13/29/49/452132949.db2.gz UWUHRQFQGWPDEP-IRXDYDNUSA-N 2 2 344.459 1.358 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793544 452132952 /nfs/dbraw/zinc/13/29/52/452132952.db2.gz UWUHRQFQGWPDEP-IRXDYDNUSA-N 2 2 344.459 1.358 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000649546850 452138734 /nfs/dbraw/zinc/13/87/34/452138734.db2.gz BVNMPDBNOWZQHC-SMDDNHRTSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000649546850 452138738 /nfs/dbraw/zinc/13/87/38/452138738.db2.gz BVNMPDBNOWZQHC-SMDDNHRTSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000649546850 452138730 /nfs/dbraw/zinc/13/87/30/452138730.db2.gz BVNMPDBNOWZQHC-SMDDNHRTSA-N 2 2 345.896 1.902 20 0 EDADLP CCC[C@H](O)CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643362483 452150880 /nfs/dbraw/zinc/15/08/80/452150880.db2.gz FFCBBYOEWBWTTH-KRWDZBQOSA-N 2 2 325.497 1.556 20 0 EDADLP CCC[C@H](O)CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643362483 452150887 /nfs/dbraw/zinc/15/08/87/452150887.db2.gz FFCBBYOEWBWTTH-KRWDZBQOSA-N 2 2 325.497 1.556 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H](Cc2ccccc2)c2ncco2)CC1 ZINC000653913050 452172153 /nfs/dbraw/zinc/17/21/53/452172153.db2.gz OTWBZMYZWQCRSP-QGZVFWFLSA-N 2 2 342.443 1.712 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000639841489 452173692 /nfs/dbraw/zinc/17/36/92/452173692.db2.gz VYPFLPJLDYQOSO-UHFFFAOYSA-N 2 2 347.463 1.785 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000639841489 452173700 /nfs/dbraw/zinc/17/37/00/452173700.db2.gz VYPFLPJLDYQOSO-UHFFFAOYSA-N 2 2 347.463 1.785 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CCCC[NH+](C)C)cn1 ZINC000652012281 452222623 /nfs/dbraw/zinc/22/26/23/452222623.db2.gz ICTZHIYJNPVRNE-UHFFFAOYSA-N 2 2 332.452 1.377 20 0 EDADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C(=O)N1CCOCC1 ZINC000643461111 452233437 /nfs/dbraw/zinc/23/34/37/452233437.db2.gz UZAFVWBGNPUQRX-QYZOEREBSA-N 2 2 345.487 1.953 20 0 EDADLP COC[C@H]1C[C@@H](O)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649764857 452239628 /nfs/dbraw/zinc/23/96/28/452239628.db2.gz RPRRLUDJDPVUCT-RTBURBONSA-N 2 2 333.476 1.280 20 0 EDADLP COC[C@H]1C[C@@H](O)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649764857 452239636 /nfs/dbraw/zinc/23/96/36/452239636.db2.gz RPRRLUDJDPVUCT-RTBURBONSA-N 2 2 333.476 1.280 20 0 EDADLP C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661446292 452246601 /nfs/dbraw/zinc/24/66/01/452246601.db2.gz RTHCRVJRSRACFM-AEFFLSMTSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661446292 452246611 /nfs/dbraw/zinc/24/66/11/452246611.db2.gz RTHCRVJRSRACFM-AEFFLSMTSA-N 2 2 349.475 1.407 20 0 EDADLP O=C1[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CCCN1Cc1ccccn1 ZINC000657433244 452247689 /nfs/dbraw/zinc/24/76/89/452247689.db2.gz YRUOUTILNIWWLQ-INIZCTEOSA-N 2 2 325.416 1.505 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCC2 ZINC000641785751 452255466 /nfs/dbraw/zinc/25/54/66/452255466.db2.gz LEXGOCOHPHCVQN-IRXDYDNUSA-N 2 2 347.507 1.277 20 0 EDADLP CCOC1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641787334 452260681 /nfs/dbraw/zinc/26/06/81/452260681.db2.gz UNYCLTRDWQYMPH-JLAWEPINSA-N 2 2 339.524 1.720 20 0 EDADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787101 452260828 /nfs/dbraw/zinc/26/08/28/452260828.db2.gz TVXHGMMBILAEOS-ROUUACIJSA-N 2 2 341.540 1.824 20 0 EDADLP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788311 452263118 /nfs/dbraw/zinc/26/31/18/452263118.db2.gz YARSOBBPLXBAFG-MOPGFXCFSA-N 2 2 344.503 1.845 20 0 EDADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000663557933 452268630 /nfs/dbraw/zinc/26/86/30/452268630.db2.gz ZRCQNERKAUJVKL-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000663557933 452268642 /nfs/dbraw/zinc/26/86/42/452268642.db2.gz ZRCQNERKAUJVKL-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP COc1ccc(C[C@@](C)(O)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC ZINC000657471067 452269766 /nfs/dbraw/zinc/26/97/66/452269766.db2.gz ZZCZFKDKPYCNML-LJQANCHMSA-N 2 2 345.443 1.930 20 0 EDADLP COc1ccc(-c2noc(C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)n2)c(OC)c1 ZINC000641802432 452277243 /nfs/dbraw/zinc/27/72/43/452277243.db2.gz KWGNZMLJEBJVBN-KBPBESRZSA-N 2 2 332.404 1.969 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659450722 452300810 /nfs/dbraw/zinc/30/08/10/452300810.db2.gz GCPDUPQRWHBOLF-KBAYOESNSA-N 2 2 346.475 1.152 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659450722 452300815 /nfs/dbraw/zinc/30/08/15/452300815.db2.gz GCPDUPQRWHBOLF-KBAYOESNSA-N 2 2 346.475 1.152 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643537885 452301163 /nfs/dbraw/zinc/30/11/63/452301163.db2.gz TWTOAQFDODJGQK-XBFCOCLRSA-N 2 2 329.441 1.288 20 0 EDADLP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000638049748 452317126 /nfs/dbraw/zinc/31/71/26/452317126.db2.gz ZRDFYPYZMWRUOZ-UHFFFAOYSA-N 2 2 336.439 1.619 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657561457 452334392 /nfs/dbraw/zinc/33/43/92/452334392.db2.gz AKMLVFAOQYLLMN-ZWNOBZJWSA-N 2 2 341.253 1.114 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657561457 452334403 /nfs/dbraw/zinc/33/44/03/452334403.db2.gz AKMLVFAOQYLLMN-ZWNOBZJWSA-N 2 2 341.253 1.114 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000638054830 452337364 /nfs/dbraw/zinc/33/73/64/452337364.db2.gz FLTFDBUZJYKMHF-LRDDRELGSA-N 2 2 346.431 1.641 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000638066623 452370238 /nfs/dbraw/zinc/37/02/38/452370238.db2.gz IVUJSVJJZHPJTO-ZWKOTPCHSA-N 2 2 333.476 1.940 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659506247 452371062 /nfs/dbraw/zinc/37/10/62/452371062.db2.gz ZPOYKDQQICUPOW-SFHVURJKSA-N 2 2 347.507 1.101 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659506247 452371066 /nfs/dbraw/zinc/37/10/66/452371066.db2.gz ZPOYKDQQICUPOW-SFHVURJKSA-N 2 2 347.507 1.101 20 0 EDADLP [NH3+][C@H](CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1ccccc1 ZINC000659521060 452384423 /nfs/dbraw/zinc/38/44/23/452384423.db2.gz WAPHKHCWFBCJNT-GOSISDBHSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH+]ccn1CCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663659504 452402007 /nfs/dbraw/zinc/40/20/07/452402007.db2.gz UKDDJAMKHCKEQD-UHFFFAOYSA-N 2 2 330.436 1.835 20 0 EDADLP Cc1[nH+]ccn1CCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663659504 452402020 /nfs/dbraw/zinc/40/20/20/452402020.db2.gz UKDDJAMKHCKEQD-UHFFFAOYSA-N 2 2 330.436 1.835 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000652281654 452466988 /nfs/dbraw/zinc/46/69/88/452466988.db2.gz ISIVOHCPMCUICE-UHFFFAOYSA-N 2 2 343.406 1.711 20 0 EDADLP C[C@H](NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1[nH+]ccn1C ZINC000659628375 452484585 /nfs/dbraw/zinc/48/45/85/452484585.db2.gz PCOLALKGPSBQCS-NWANDNLSSA-N 2 2 335.452 1.409 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000647762822 452496652 /nfs/dbraw/zinc/49/66/52/452496652.db2.gz VQLAUHKOIVSSNZ-CQSZACIVSA-N 2 2 328.416 1.660 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000647762822 452496660 /nfs/dbraw/zinc/49/66/60/452496660.db2.gz VQLAUHKOIVSSNZ-CQSZACIVSA-N 2 2 328.416 1.660 20 0 EDADLP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n(-c2ccccn2)n1 ZINC000657752585 452500993 /nfs/dbraw/zinc/50/09/93/452500993.db2.gz QHPVONODXXVXOW-QGZVFWFLSA-N 2 2 327.432 1.610 20 0 EDADLP CCOc1ccc(NC(=O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655700459 452522288 /nfs/dbraw/zinc/52/22/88/452522288.db2.gz IONRMMDFMAAYIS-KRWDZBQOSA-N 2 2 347.459 1.867 20 0 EDADLP COc1cc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccn1 ZINC000655715731 452534563 /nfs/dbraw/zinc/53/45/63/452534563.db2.gz NLAZARKHCFESTC-WBVHZDCISA-N 2 2 334.464 1.147 20 0 EDADLP C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000647845757 452579911 /nfs/dbraw/zinc/57/99/11/452579911.db2.gz IAGSOPISGZHEES-MJBXVCDLSA-N 2 2 341.463 1.740 20 0 EDADLP C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000647845757 452579917 /nfs/dbraw/zinc/57/99/17/452579917.db2.gz IAGSOPISGZHEES-MJBXVCDLSA-N 2 2 341.463 1.740 20 0 EDADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000647863718 452600439 /nfs/dbraw/zinc/60/04/39/452600439.db2.gz IVUIOFQZDUEUMM-NVXWUHKLSA-N 2 2 344.463 1.558 20 0 EDADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000647863718 452600444 /nfs/dbraw/zinc/60/04/44/452600444.db2.gz IVUIOFQZDUEUMM-NVXWUHKLSA-N 2 2 344.463 1.558 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663892104 452618698 /nfs/dbraw/zinc/61/86/98/452618698.db2.gz IURSZIMQKGVBHW-QGZVFWFLSA-N 2 2 338.496 1.367 20 0 EDADLP O=C(CC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000647882183 452620035 /nfs/dbraw/zinc/62/00/35/452620035.db2.gz SYUMYELLMAUVCS-CQSZACIVSA-N 2 2 333.436 1.296 20 0 EDADLP O=C(CC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000647882183 452620048 /nfs/dbraw/zinc/62/00/48/452620048.db2.gz SYUMYELLMAUVCS-CQSZACIVSA-N 2 2 333.436 1.296 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCCOc2ccccc2F)CC[C@@H]1[NH3+] ZINC000647936766 452675477 /nfs/dbraw/zinc/67/54/77/452675477.db2.gz KWAKAROHTAFCKY-HOCLYGCPSA-N 2 2 337.439 1.770 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCCOc2ccccc2F)CC[C@@H]1[NH3+] ZINC000647936766 452675483 /nfs/dbraw/zinc/67/54/83/452675483.db2.gz KWAKAROHTAFCKY-HOCLYGCPSA-N 2 2 337.439 1.770 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000663975164 452684469 /nfs/dbraw/zinc/68/44/69/452684469.db2.gz OMLPKJHRIJIBGZ-KRWDZBQOSA-N 2 2 341.459 1.879 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000663975164 452684479 /nfs/dbraw/zinc/68/44/79/452684479.db2.gz OMLPKJHRIJIBGZ-KRWDZBQOSA-N 2 2 341.459 1.879 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968292 452712227 /nfs/dbraw/zinc/71/22/27/452712227.db2.gz ZZGIVFRYQHMIHH-DZGCQCFKSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968292 452712231 /nfs/dbraw/zinc/71/22/31/452712231.db2.gz ZZGIVFRYQHMIHH-DZGCQCFKSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968292 452712241 /nfs/dbraw/zinc/71/22/41/452712241.db2.gz ZZGIVFRYQHMIHH-DZGCQCFKSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968292 452712248 /nfs/dbraw/zinc/71/22/48/452712248.db2.gz ZZGIVFRYQHMIHH-DZGCQCFKSA-N 2 2 343.493 1.028 20 0 EDADLP c1cc(N2CCOCC2)nc(N2CCC([N@@H+]3CCCOCC3)CC2)[nH+]1 ZINC000664011342 452714615 /nfs/dbraw/zinc/71/46/15/452714615.db2.gz OCSGAHPIOUOHTM-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP c1cc(N2CCOCC2)nc(N2CCC([N@H+]3CCCOCC3)CC2)[nH+]1 ZINC000664011342 452714621 /nfs/dbraw/zinc/71/46/21/452714621.db2.gz OCSGAHPIOUOHTM-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)ccn12 ZINC000654635885 452721652 /nfs/dbraw/zinc/72/16/52/452721652.db2.gz NDBJJWKZFVKZNC-QGZVFWFLSA-N 2 2 342.443 1.970 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC[N@@H+](C[C@H]4CCCO4)CC3)ccn12 ZINC000654635885 452721660 /nfs/dbraw/zinc/72/16/60/452721660.db2.gz NDBJJWKZFVKZNC-QGZVFWFLSA-N 2 2 342.443 1.970 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH+]1CCOCC1 ZINC000666262403 452725215 /nfs/dbraw/zinc/72/52/15/452725215.db2.gz RXZONRVDENASBN-BRWVUGGUSA-N 2 2 348.491 1.777 20 0 EDADLP Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cn2cc[nH+]c12 ZINC000658126713 452740036 /nfs/dbraw/zinc/74/00/36/452740036.db2.gz HWVSOBKXKFKTAT-AWEZNQCLSA-N 2 2 343.431 1.570 20 0 EDADLP Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cn2cc[nH+]c12 ZINC000658126713 452740043 /nfs/dbraw/zinc/74/00/43/452740043.db2.gz HWVSOBKXKFKTAT-AWEZNQCLSA-N 2 2 343.431 1.570 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]C[C@H]2CNc3ccnn3C2)CCC[N@@H+]1C ZINC000648032870 452769337 /nfs/dbraw/zinc/76/93/37/452769337.db2.gz FBCQUZNFNHVDSD-RLFYNMQTSA-N 2 2 343.479 1.331 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]C[C@H]2CNc3ccnn3C2)CCC[N@H+]1C ZINC000648032870 452769342 /nfs/dbraw/zinc/76/93/42/452769342.db2.gz FBCQUZNFNHVDSD-RLFYNMQTSA-N 2 2 343.479 1.331 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000643886695 452793578 /nfs/dbraw/zinc/79/35/78/452793578.db2.gz NKUQICWSXFIEOC-DGCLKSJQSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000643886695 452793584 /nfs/dbraw/zinc/79/35/84/452793584.db2.gz NKUQICWSXFIEOC-DGCLKSJQSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[NH+]1C ZINC000643886695 452793587 /nfs/dbraw/zinc/79/35/87/452793587.db2.gz NKUQICWSXFIEOC-DGCLKSJQSA-N 2 2 345.896 1.902 20 0 EDADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000658234019 452797758 /nfs/dbraw/zinc/79/77/58/452797758.db2.gz MVOZDXUTDKXYJJ-UHOSZYNNSA-N 2 2 332.492 1.974 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc(N3CCCC3)nc1)CCO2 ZINC000648071849 452798936 /nfs/dbraw/zinc/79/89/36/452798936.db2.gz XFFZBWZPQCRTMN-UHFFFAOYSA-N 2 2 331.464 1.373 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc(N3CCCC3)nc1)CCO2 ZINC000648071849 452798947 /nfs/dbraw/zinc/79/89/47/452798947.db2.gz XFFZBWZPQCRTMN-UHFFFAOYSA-N 2 2 331.464 1.373 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662155861 452895056 /nfs/dbraw/zinc/89/50/56/452895056.db2.gz HOCOATQFHLKNAX-LZLYRXPVSA-N 2 2 337.508 1.697 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662155861 452895059 /nfs/dbraw/zinc/89/50/59/452895059.db2.gz HOCOATQFHLKNAX-LZLYRXPVSA-N 2 2 337.508 1.697 20 0 EDADLP CC(=O)Nc1ccccc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664221355 452898772 /nfs/dbraw/zinc/89/87/72/452898772.db2.gz WREQYVAPJJQJNK-UHFFFAOYSA-N 2 2 349.479 1.328 20 0 EDADLP CC(=O)Nc1ccccc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664221355 452898775 /nfs/dbraw/zinc/89/87/75/452898775.db2.gz WREQYVAPJJQJNK-UHFFFAOYSA-N 2 2 349.479 1.328 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H](C[NH+](C)C)C3)cn21 ZINC000645931401 452909388 /nfs/dbraw/zinc/90/93/88/452909388.db2.gz PNZDBPIIMXLFJP-OAHLLOKOSA-N 2 2 329.448 1.778 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1CC[NH3+] ZINC000650711008 452947461 /nfs/dbraw/zinc/94/74/61/452947461.db2.gz GEKBNVBLSMMXHZ-RDJZCZTQSA-N 3 2 332.496 1.178 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1CC[NH3+] ZINC000650711008 452947467 /nfs/dbraw/zinc/94/74/67/452947467.db2.gz GEKBNVBLSMMXHZ-RDJZCZTQSA-N 3 2 332.496 1.178 20 0 EDADLP C[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211708 452963841 /nfs/dbraw/zinc/96/38/41/452963841.db2.gz XZYYKSLPAFRTNE-SOUVJXGZSA-N 2 2 335.452 1.223 20 0 EDADLP C[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211708 452963848 /nfs/dbraw/zinc/96/38/48/452963848.db2.gz XZYYKSLPAFRTNE-SOUVJXGZSA-N 2 2 335.452 1.223 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000650755851 452973170 /nfs/dbraw/zinc/97/31/70/452973170.db2.gz OGXTXQSHXQOCTJ-FUHWJXTLSA-N 2 2 347.528 1.809 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000650755851 452973180 /nfs/dbraw/zinc/97/31/80/452973180.db2.gz OGXTXQSHXQOCTJ-FUHWJXTLSA-N 2 2 347.528 1.809 20 0 EDADLP CN1CCN(c2cc(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)nc[nH+]2)CC1=O ZINC000656228357 452975641 /nfs/dbraw/zinc/97/56/41/452975641.db2.gz WFXZNFWPEAQTRE-CABCVRRESA-N 2 2 344.463 1.184 20 0 EDADLP CN1CCN(c2cc(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)nc[nH+]2)CC1=O ZINC000656228357 452975647 /nfs/dbraw/zinc/97/56/47/452975647.db2.gz WFXZNFWPEAQTRE-CABCVRRESA-N 2 2 344.463 1.184 20 0 EDADLP Cc1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nc(C)n1 ZINC000660071971 452986662 /nfs/dbraw/zinc/98/66/62/452986662.db2.gz QNGSXYXXBKYYIJ-UHFFFAOYSA-N 2 2 345.491 1.470 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662261977 452994105 /nfs/dbraw/zinc/99/41/05/452994105.db2.gz RAXVNEIYJRVARA-IEBWSBKVSA-N 2 2 333.476 1.198 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000662305626 453026064 /nfs/dbraw/zinc/02/60/64/453026064.db2.gz IPJKYRLOQVZNMS-HNNXBMFYSA-N 2 2 342.281 1.542 20 0 EDADLP CCc1nnc([C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH]1 ZINC000660127013 453051926 /nfs/dbraw/zinc/05/19/26/453051926.db2.gz DMFXSUBUPDQYSV-LSVZVQIISA-N 2 2 332.496 1.671 20 0 EDADLP CCc1nnc([C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]1 ZINC000660127013 453051935 /nfs/dbraw/zinc/05/19/35/453051935.db2.gz DMFXSUBUPDQYSV-LSVZVQIISA-N 2 2 332.496 1.671 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662382482 453092862 /nfs/dbraw/zinc/09/28/62/453092862.db2.gz VIDDOZPXNDSPIT-MFKMUULPSA-N 2 2 337.221 1.850 20 0 EDADLP C[NH+]1CCN(CCOc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC000646116596 453129027 /nfs/dbraw/zinc/12/90/27/453129027.db2.gz RNNKLPNTUPDCAK-UHFFFAOYSA-N 2 2 334.464 1.379 20 0 EDADLP CN1CC[NH+](CCOc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC000646116596 453129038 /nfs/dbraw/zinc/12/90/38/453129038.db2.gz RNNKLPNTUPDCAK-UHFFFAOYSA-N 2 2 334.464 1.379 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662448295 453156635 /nfs/dbraw/zinc/15/66/35/453156635.db2.gz MFNWDWHEGGCIJG-QGZVFWFLSA-N 2 2 339.443 1.299 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000650982415 453161558 /nfs/dbraw/zinc/16/15/58/453161558.db2.gz CIFSDCOHOGONIR-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000650982415 453161564 /nfs/dbraw/zinc/16/15/64/453161564.db2.gz CIFSDCOHOGONIR-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000650982415 453161569 /nfs/dbraw/zinc/16/15/69/453161569.db2.gz CIFSDCOHOGONIR-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH+]1CCO)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000650982415 453161576 /nfs/dbraw/zinc/16/15/76/453161576.db2.gz CIFSDCOHOGONIR-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000646159912 453171285 /nfs/dbraw/zinc/17/12/85/453171285.db2.gz NBNMIFHJVDXGPM-FZKCQIBNSA-N 2 2 349.479 1.659 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000646159912 453171291 /nfs/dbraw/zinc/17/12/91/453171291.db2.gz NBNMIFHJVDXGPM-FZKCQIBNSA-N 2 2 349.479 1.659 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000646159912 453171301 /nfs/dbraw/zinc/17/13/01/453171301.db2.gz NBNMIFHJVDXGPM-FZKCQIBNSA-N 2 2 349.479 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccn1 ZINC000664538081 453177667 /nfs/dbraw/zinc/17/76/67/453177667.db2.gz XXBHBXNHSGNFAA-OAHLLOKOSA-N 2 2 333.480 1.510 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000664538255 453178292 /nfs/dbraw/zinc/17/82/92/453178292.db2.gz ASLMHYOWVGOKQD-CHWSQXEVSA-N 2 2 343.435 1.001 20 0 EDADLP Clc1ccc2[nH+]c(Cn3cc(CN4CC[NH2+]CC4)nn3)cn2c1 ZINC000656451669 453194788 /nfs/dbraw/zinc/19/47/88/453194788.db2.gz WRRDFTJUFRNZKZ-UHFFFAOYSA-N 2 2 331.811 1.033 20 0 EDADLP COCC[N@H+](C)Cc1cn([C@@H]2CC[NH+](Cc3ccccc3)C2)nn1 ZINC000656456151 453197207 /nfs/dbraw/zinc/19/72/07/453197207.db2.gz RVNCUQIXTZEMNQ-GOSISDBHSA-N 2 2 329.448 1.803 20 0 EDADLP COCC[N@@H+](C)Cc1cn([C@@H]2CC[NH+](Cc3ccccc3)C2)nn1 ZINC000656456151 453197212 /nfs/dbraw/zinc/19/72/12/453197212.db2.gz RVNCUQIXTZEMNQ-GOSISDBHSA-N 2 2 329.448 1.803 20 0 EDADLP COCC[NH+](C)Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456151 453197219 /nfs/dbraw/zinc/19/72/19/453197219.db2.gz RVNCUQIXTZEMNQ-GOSISDBHSA-N 2 2 329.448 1.803 20 0 EDADLP COCC[NH+](C)Cc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456151 453197224 /nfs/dbraw/zinc/19/72/24/453197224.db2.gz RVNCUQIXTZEMNQ-GOSISDBHSA-N 2 2 329.448 1.803 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000664576336 453211606 /nfs/dbraw/zinc/21/16/06/453211606.db2.gz GUZUXJIXDVZHGA-UHFFFAOYSA-N 2 2 328.420 1.863 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000646211575 453224150 /nfs/dbraw/zinc/22/41/50/453224150.db2.gz PYZBTSNKJPAWQW-JKSUJKDBSA-N 2 2 348.491 1.957 20 0 EDADLP COc1cccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1F ZINC000646215653 453227372 /nfs/dbraw/zinc/22/73/72/453227372.db2.gz YCGLLDAOUNPXJT-UHFFFAOYSA-N 2 2 337.439 1.916 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000648760546 453241230 /nfs/dbraw/zinc/24/12/30/453241230.db2.gz BQSIDGNQTFYTNY-LBPRGKRZSA-N 2 2 348.451 1.893 20 0 EDADLP CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653068520 453246347 /nfs/dbraw/zinc/24/63/47/453246347.db2.gz GZOCJVBZOYMWSE-XJKSGUPXSA-N 2 2 334.464 1.110 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000653069713 453247692 /nfs/dbraw/zinc/24/76/92/453247692.db2.gz XNMHQHBNWCHCMG-ZDUSSCGKSA-N 2 2 333.354 1.523 20 0 EDADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(NC(=O)C2CC2)cc1 ZINC000653069724 453248085 /nfs/dbraw/zinc/24/80/85/453248085.db2.gz XTYHWWZBKZSTQN-MLGOLLRUSA-N 2 2 332.448 1.491 20 0 EDADLP C[C@H](COc1ccccc1C(F)(F)F)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653077016 453257511 /nfs/dbraw/zinc/25/75/11/453257511.db2.gz LXQHAOANLBOSJT-DGCLKSJQSA-N 2 2 347.381 1.868 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000656535634 453260570 /nfs/dbraw/zinc/26/05/70/453260570.db2.gz BIIGEXWUXRADFU-UHFFFAOYSA-N 2 2 335.452 1.073 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCc2c1cccc2Br ZINC000653086584 453268198 /nfs/dbraw/zinc/26/81/98/453268198.db2.gz WPJJSZNJNZQNJY-KBPBESRZSA-N 2 2 340.265 1.832 20 0 EDADLP Cc1nc(COc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)no1 ZINC000653089071 453273354 /nfs/dbraw/zinc/27/33/54/453273354.db2.gz WTRYKCFROWEKIP-AWEZNQCLSA-N 2 2 333.392 1.175 20 0 EDADLP CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc2NC1=O ZINC000653097086 453279545 /nfs/dbraw/zinc/27/95/45/453279545.db2.gz CMUSKVFDYSCMEF-ZLDLUXBVSA-N 2 2 348.447 1.252 20 0 EDADLP Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653097833 453279648 /nfs/dbraw/zinc/27/96/48/453279648.db2.gz WCXGQSLWFUTKGE-MOPGFXCFSA-N 2 2 347.503 1.824 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000666971744 453287860 /nfs/dbraw/zinc/28/78/60/453287860.db2.gz FUGFYHUELXOBDX-GDBMZVCRSA-N 2 2 347.463 1.552 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000653110938 453295845 /nfs/dbraw/zinc/29/58/45/453295845.db2.gz ZHHUPMVOOSLHPP-OAHLLOKOSA-N 2 2 338.415 1.614 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000653110273 453296209 /nfs/dbraw/zinc/29/62/09/453296209.db2.gz BHQOHMKHSUMRRW-NSHDSACASA-N 2 2 334.251 1.196 20 0 EDADLP Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653112360 453298874 /nfs/dbraw/zinc/29/88/74/453298874.db2.gz WGGVQMLFKSZWRP-CZUORRHYSA-N 2 2 329.448 1.516 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000653115332 453303023 /nfs/dbraw/zinc/30/30/23/453303023.db2.gz KXLPHKZKYOFWOR-CYBMUJFWSA-N 2 2 331.445 1.845 20 0 EDADLP CC(C)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1nc(-c2ccncc2)no1 ZINC000653114841 453303595 /nfs/dbraw/zinc/30/35/95/453303595.db2.gz YFQVYVUQQZCWFZ-ZIAGYGMSSA-N 2 2 346.435 1.224 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000653123640 453317048 /nfs/dbraw/zinc/31/70/48/453317048.db2.gz BLAOWWMYIJJFHD-NSHDSACASA-N 2 2 335.235 1.162 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000653148319 453336596 /nfs/dbraw/zinc/33/65/96/453336596.db2.gz WZFICEHFPZAKOI-MRXNPFEDSA-N 2 2 338.883 1.263 20 0 EDADLP CC(C)CNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660483037 453338273 /nfs/dbraw/zinc/33/82/73/453338273.db2.gz KORLKLQHXWLEHG-QGZVFWFLSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)CNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660483037 453338264 /nfs/dbraw/zinc/33/82/64/453338264.db2.gz KORLKLQHXWLEHG-QGZVFWFLSA-N 2 2 325.497 1.583 20 0 EDADLP CCN(CC)C(=O)CCC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653153090 453339500 /nfs/dbraw/zinc/33/95/00/453339500.db2.gz HOKXGOMXHGFAON-INIZCTEOSA-N 2 2 340.512 1.153 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)[C@H](C)CO1 ZINC000662632374 453347092 /nfs/dbraw/zinc/34/70/92/453347092.db2.gz CQMKXQXJAZFRPQ-HUUCEWRRSA-N 2 2 331.460 1.214 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)[C@H](C)CO1 ZINC000662632374 453347103 /nfs/dbraw/zinc/34/71/03/453347103.db2.gz CQMKXQXJAZFRPQ-HUUCEWRRSA-N 2 2 331.460 1.214 20 0 EDADLP C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653155883 453347228 /nfs/dbraw/zinc/34/72/28/453347228.db2.gz JXMPPSJOQVVZBG-WQVCFCJDSA-N 2 2 339.867 1.907 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)[C@@H](C)CO1 ZINC000662632375 453347927 /nfs/dbraw/zinc/34/79/27/453347927.db2.gz CQMKXQXJAZFRPQ-LSDHHAIUSA-N 2 2 331.460 1.214 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)[C@@H](C)CO1 ZINC000662632375 453347932 /nfs/dbraw/zinc/34/79/32/453347932.db2.gz CQMKXQXJAZFRPQ-LSDHHAIUSA-N 2 2 331.460 1.214 20 0 EDADLP COc1cnccc1[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664726101 453355017 /nfs/dbraw/zinc/35/50/17/453355017.db2.gz QLPYIHNZXUIXKL-CQSZACIVSA-N 2 2 337.468 1.334 20 0 EDADLP COc1cnccc1[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664726101 453355024 /nfs/dbraw/zinc/35/50/24/453355024.db2.gz QLPYIHNZXUIXKL-CQSZACIVSA-N 2 2 337.468 1.334 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c2[nH+]ccn21 ZINC000653174108 453364218 /nfs/dbraw/zinc/36/42/18/453364218.db2.gz ZKFPWHOXGMFIBV-HIFRSBDPSA-N 2 2 326.404 1.816 20 0 EDADLP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000662667878 453380758 /nfs/dbraw/zinc/38/07/58/453380758.db2.gz ZMLVNIRNOBEEPS-KRWDZBQOSA-N 2 2 331.460 1.598 20 0 EDADLP C[C@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]([NH3+])c1ccccc1 ZINC000662704241 453426300 /nfs/dbraw/zinc/42/63/00/453426300.db2.gz XBUHKLKPTMNMNF-LPHOPBHVSA-N 2 2 345.487 1.893 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)s1 ZINC000662714293 453437788 /nfs/dbraw/zinc/43/77/88/453437788.db2.gz YPEQQQWAMYXYFN-HOTGVXAUSA-N 2 2 337.489 1.319 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CCC2=O ZINC000667165318 453448706 /nfs/dbraw/zinc/44/87/06/453448706.db2.gz UJQYEWBDJQPYMD-UHFFFAOYSA-N 2 2 332.448 1.821 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CCC2=O ZINC000667165318 453448713 /nfs/dbraw/zinc/44/87/13/453448713.db2.gz UJQYEWBDJQPYMD-UHFFFAOYSA-N 2 2 332.448 1.821 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000662740788 453466036 /nfs/dbraw/zinc/46/60/36/453466036.db2.gz BXTNNGVEAZVMKW-MJGOQNOKSA-N 2 2 344.503 1.309 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000662740788 453466049 /nfs/dbraw/zinc/46/60/49/453466049.db2.gz BXTNNGVEAZVMKW-MJGOQNOKSA-N 2 2 344.503 1.309 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000662740650 453466980 /nfs/dbraw/zinc/46/69/80/453466980.db2.gz AKGZDBQZWQXNDZ-ROUUACIJSA-N 2 2 330.476 1.061 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000662740650 453466986 /nfs/dbraw/zinc/46/69/86/453466986.db2.gz AKGZDBQZWQXNDZ-ROUUACIJSA-N 2 2 330.476 1.061 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651333844 453478149 /nfs/dbraw/zinc/47/81/49/453478149.db2.gz ZBUAACCDLJAIOU-INIZCTEOSA-N 2 2 347.507 1.152 20 0 EDADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000662752944 453487930 /nfs/dbraw/zinc/48/79/30/453487930.db2.gz VSGKBBCHIZUVDZ-DLBZAZTESA-N 2 2 342.443 1.496 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCc3ccccc3C1)C2 ZINC000660653669 453489629 /nfs/dbraw/zinc/48/96/29/453489629.db2.gz UJMQVRZXEWHDJS-HXUWFJFHSA-N 2 2 327.472 1.989 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCc3ccccc3C1)C2 ZINC000660653669 453489637 /nfs/dbraw/zinc/48/96/37/453489637.db2.gz UJMQVRZXEWHDJS-HXUWFJFHSA-N 2 2 327.472 1.989 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCc3ccccc3C1)C2 ZINC000660653669 453489644 /nfs/dbraw/zinc/48/96/44/453489644.db2.gz UJMQVRZXEWHDJS-HXUWFJFHSA-N 2 2 327.472 1.989 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCc3ccccc3C1)C2 ZINC000660653669 453489653 /nfs/dbraw/zinc/48/96/53/453489653.db2.gz UJMQVRZXEWHDJS-HXUWFJFHSA-N 2 2 327.472 1.989 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCCc1ccc(F)cc1)C2 ZINC000660653229 453490054 /nfs/dbraw/zinc/49/00/54/453490054.db2.gz PYWDEDSOVMOPAT-IBGZPJMESA-N 2 2 333.451 1.902 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCCc1ccc(F)cc1)C2 ZINC000660653229 453490060 /nfs/dbraw/zinc/49/00/60/453490060.db2.gz PYWDEDSOVMOPAT-IBGZPJMESA-N 2 2 333.451 1.902 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NCCc1ccc(F)cc1)C2 ZINC000660653229 453490065 /nfs/dbraw/zinc/49/00/65/453490065.db2.gz PYWDEDSOVMOPAT-IBGZPJMESA-N 2 2 333.451 1.902 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCCc1ccc(F)cc1)C2 ZINC000660653229 453490071 /nfs/dbraw/zinc/49/00/71/453490071.db2.gz PYWDEDSOVMOPAT-IBGZPJMESA-N 2 2 333.451 1.902 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC[N@@H+]1CCOC ZINC000667252990 453513979 /nfs/dbraw/zinc/51/39/79/453513979.db2.gz VGEVLXSBZFSOLA-GJZGRUSLSA-N 2 2 337.468 1.623 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC[N@H+]1CCOC ZINC000667252990 453513985 /nfs/dbraw/zinc/51/39/85/453513985.db2.gz VGEVLXSBZFSOLA-GJZGRUSLSA-N 2 2 337.468 1.623 20 0 EDADLP CC(C)N(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649065292 453514189 /nfs/dbraw/zinc/51/41/89/453514189.db2.gz UCZFGSXPBPGYKD-MOPGFXCFSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)N(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649065292 453514191 /nfs/dbraw/zinc/51/41/91/453514191.db2.gz UCZFGSXPBPGYKD-MOPGFXCFSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)N(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649065292 453514196 /nfs/dbraw/zinc/51/41/96/453514196.db2.gz UCZFGSXPBPGYKD-MOPGFXCFSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)N(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649065292 453514201 /nfs/dbraw/zinc/51/42/01/453514201.db2.gz UCZFGSXPBPGYKD-MOPGFXCFSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1[nH+]ccn1C ZINC000667257651 453518114 /nfs/dbraw/zinc/51/81/14/453518114.db2.gz RMXKOBCLHOFDIY-HNNXBMFYSA-N 3 2 338.500 1.396 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662795975 453530266 /nfs/dbraw/zinc/53/02/66/453530266.db2.gz SVKAQGDNQUHRSE-RISCZKNCSA-N 2 2 328.338 1.319 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000660707019 453534890 /nfs/dbraw/zinc/53/48/90/453534890.db2.gz KVHUCDPBMSWXED-YESZJQIVSA-N 2 2 340.512 1.515 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000660788465 453574906 /nfs/dbraw/zinc/57/49/06/453574906.db2.gz JQRAGYOXPHTMHS-MRXNPFEDSA-N 2 2 329.448 1.969 20 0 EDADLP CN(C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899454 453593381 /nfs/dbraw/zinc/59/33/81/453593381.db2.gz DCXXFSOKJOQXDR-OKZBNKHCSA-N 3 2 334.508 1.144 20 0 EDADLP CN(C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899454 453593386 /nfs/dbraw/zinc/59/33/86/453593386.db2.gz DCXXFSOKJOQXDR-OKZBNKHCSA-N 3 2 334.508 1.144 20 0 EDADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000665282808 453633898 /nfs/dbraw/zinc/63/38/98/453633898.db2.gz CFBKGLSECSFLCY-RLLQIKCJSA-N 3 2 330.520 1.780 20 0 EDADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000665282808 453633904 /nfs/dbraw/zinc/63/39/04/453633904.db2.gz CFBKGLSECSFLCY-RLLQIKCJSA-N 3 2 330.520 1.780 20 0 EDADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC000665291156 453638291 /nfs/dbraw/zinc/63/82/91/453638291.db2.gz VPKKEIZHCNGMRL-CJNGLKHVSA-N 3 2 333.480 1.774 20 0 EDADLP COc1cc(C)c([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC000665291208 453638465 /nfs/dbraw/zinc/63/84/65/453638465.db2.gz WXHORIFXSYFQDO-LLVKDONJSA-N 2 2 332.404 1.817 20 0 EDADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665292960 453639193 /nfs/dbraw/zinc/63/91/93/453639193.db2.gz NMTGGQTUYTYAGY-GDBMZVCRSA-N 3 2 341.459 1.641 20 0 EDADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665292960 453639198 /nfs/dbraw/zinc/63/91/98/453639198.db2.gz NMTGGQTUYTYAGY-GDBMZVCRSA-N 3 2 341.459 1.641 20 0 EDADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)CCS2 ZINC000665292925 453639511 /nfs/dbraw/zinc/63/95/11/453639511.db2.gz MHGBVVFOGWHPNL-CYBMUJFWSA-N 2 2 332.429 1.976 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000665368029 453669538 /nfs/dbraw/zinc/66/95/38/453669538.db2.gz BGLIUTPIWPLMNV-KRWDZBQOSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000665368029 453669542 /nfs/dbraw/zinc/66/95/42/453669542.db2.gz BGLIUTPIWPLMNV-KRWDZBQOSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1ccc(Cl)c(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000657093018 453676474 /nfs/dbraw/zinc/67/64/74/453676474.db2.gz WJVTUDVCISUTHM-UHFFFAOYSA-N 2 2 347.912 1.810 20 0 EDADLP Cc1ccc(Cl)c(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657093018 453676469 /nfs/dbraw/zinc/67/64/69/453676469.db2.gz WJVTUDVCISUTHM-UHFFFAOYSA-N 2 2 347.912 1.810 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661047102 453694630 /nfs/dbraw/zinc/69/46/30/453694630.db2.gz ZAKOHVMBOWACQY-CABCVRRESA-N 2 2 331.464 1.904 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661047102 453694633 /nfs/dbraw/zinc/69/46/33/453694633.db2.gz ZAKOHVMBOWACQY-CABCVRRESA-N 2 2 331.464 1.904 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)CN3CC[NH+](C)CC3)ccc2n1C1CC1 ZINC000665499195 453720226 /nfs/dbraw/zinc/72/02/26/453720226.db2.gz PYGPJWLRSGMXMR-UHFFFAOYSA-N 2 2 341.459 1.543 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661150054 453734599 /nfs/dbraw/zinc/73/45/99/453734599.db2.gz RVAGRCBUMYWFTQ-HNNXBMFYSA-N 2 2 347.463 1.272 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NCc1ccc[nH+]c1N1CCCC1 ZINC000665617090 453767994 /nfs/dbraw/zinc/76/79/94/453767994.db2.gz YPYBQSWGSUIIET-UHFFFAOYSA-N 2 2 329.448 1.743 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1ccc[nH+]c1N1CCCC1 ZINC000665617090 453767998 /nfs/dbraw/zinc/76/79/98/453767998.db2.gz YPYBQSWGSUIIET-UHFFFAOYSA-N 2 2 329.448 1.743 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc[nH+]c1N1CCCC1 ZINC000661235329 453769030 /nfs/dbraw/zinc/76/90/30/453769030.db2.gz MYDMPCOBTUBXJV-UHFFFAOYSA-N 2 2 347.463 1.203 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)NCc1ccc[nH+]c1N1CCCC1 ZINC000661235329 453769033 /nfs/dbraw/zinc/76/90/33/453769033.db2.gz MYDMPCOBTUBXJV-UHFFFAOYSA-N 2 2 347.463 1.203 20 0 EDADLP CC(C)C[NH+]1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000665688896 453789372 /nfs/dbraw/zinc/78/93/72/453789372.db2.gz XUQCWAXBAFGSEA-HZPDHXFCSA-N 2 2 333.480 1.462 20 0 EDADLP C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1[nH+]ccn1C ZINC000663442904 453800159 /nfs/dbraw/zinc/80/01/59/453800159.db2.gz APPJTKQUHWSWAY-GDBMZVCRSA-N 2 2 329.448 1.953 20 0 EDADLP COc1cccc([C@@H](CNC(=O)N(C)Cc2c[nH+]c[nH]2)[NH+](C)C)c1 ZINC000663449582 453801899 /nfs/dbraw/zinc/80/18/99/453801899.db2.gz PYZIBYYRWGWNJV-MRXNPFEDSA-N 2 2 331.420 1.863 20 0 EDADLP COc1cccc([C@@H](CNC(=O)N(C)Cc2c[nH]c[nH+]2)[NH+](C)C)c1 ZINC000663449582 453801901 /nfs/dbraw/zinc/80/19/01/453801901.db2.gz PYZIBYYRWGWNJV-MRXNPFEDSA-N 2 2 331.420 1.863 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663460659 453803551 /nfs/dbraw/zinc/80/35/51/453803551.db2.gz CJWHGEYJJDCKOQ-MRXNPFEDSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663460659 453803554 /nfs/dbraw/zinc/80/35/54/453803554.db2.gz CJWHGEYJJDCKOQ-MRXNPFEDSA-N 2 2 343.431 1.075 20 0 EDADLP O[C@H](COc1ccc(F)cc1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662157357 486656661 /nfs/dbraw/zinc/65/66/61/486656661.db2.gz QINCPECISWFURQ-IRXDYDNUSA-N 2 2 338.423 1.096 20 0 EDADLP O[C@H](COc1ccc(F)cc1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662157357 486656663 /nfs/dbraw/zinc/65/66/63/486656663.db2.gz QINCPECISWFURQ-IRXDYDNUSA-N 2 2 338.423 1.096 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000676270288 486717734 /nfs/dbraw/zinc/71/77/34/486717734.db2.gz OFKGIBUNAWCHFT-AWEZNQCLSA-N 2 2 333.436 1.442 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ncnc4c3ncn4C)CC2)CC1 ZINC000676352813 486745198 /nfs/dbraw/zinc/74/51/98/486745198.db2.gz HOMKHPRBUPXVNO-UHFFFAOYSA-N 2 2 343.479 1.358 20 0 EDADLP NC(=O)c1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)on1 ZINC000680480065 486785873 /nfs/dbraw/zinc/78/58/73/486785873.db2.gz MSHDYUJHSOBHMU-UHFFFAOYSA-N 2 2 344.415 1.538 20 0 EDADLP C[NH2+]CCN(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417167957 486794695 /nfs/dbraw/zinc/79/46/95/486794695.db2.gz ACYBOKSWIOTWGO-QGZVFWFLSA-N 2 2 334.464 1.229 20 0 EDADLP c1cn(CCNc2nc(NCCn3cc[nH+]c3)c(C3CC3)c[nH+]2)c[nH+]1 ZINC000680527110 486801125 /nfs/dbraw/zinc/80/11/25/486801125.db2.gz RACXZFSLFUVHKT-UHFFFAOYSA-N 3 2 338.419 1.971 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)ccc2n1C ZINC000667538797 486831736 /nfs/dbraw/zinc/83/17/36/486831736.db2.gz NQSLYULFINTFHJ-IUODEOHRSA-N 2 2 341.415 1.031 20 0 EDADLP Cc1[nH+]cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1C ZINC000667549237 486840360 /nfs/dbraw/zinc/84/03/60/486840360.db2.gz GKVRMROMFRJLJY-UHFFFAOYSA-N 3 2 349.523 1.645 20 0 EDADLP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000667557681 486844758 /nfs/dbraw/zinc/84/47/58/486844758.db2.gz DBRUDTWNXWQBAJ-NSHDSACASA-N 2 2 329.404 1.165 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1C[NH+]1CCOCC1)C2 ZINC000683907376 486860366 /nfs/dbraw/zinc/86/03/66/486860366.db2.gz GEESLRZBDMXWGM-UHFFFAOYSA-N 2 2 329.444 1.297 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1c[nH]c[nH+]1 ZINC000683920227 486867279 /nfs/dbraw/zinc/86/72/79/486867279.db2.gz WNLJNLRWWYKATP-CABCVRRESA-N 2 2 334.464 1.571 20 0 EDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC000166601245 486868467 /nfs/dbraw/zinc/86/84/67/486868467.db2.gz AIKMEXXUWSVEIO-DOMZBBRYSA-N 2 2 325.840 1.424 20 0 EDADLP C[C@H]1C[N@H+](Cc2c(C3CC3)cnn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000667683297 486912742 /nfs/dbraw/zinc/91/27/42/486912742.db2.gz LLDYAVPOQCQCSD-YJBOKZPZSA-N 2 2 331.508 1.755 20 0 EDADLP C[C@H]1C[N@@H+](Cc2c(C3CC3)cnn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000667683297 486912746 /nfs/dbraw/zinc/91/27/46/486912746.db2.gz LLDYAVPOQCQCSD-YJBOKZPZSA-N 2 2 331.508 1.755 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(CO)CCCC3)C2)CC1 ZINC000681186520 486963659 /nfs/dbraw/zinc/96/36/59/486963659.db2.gz IZWHWCYZAKISOK-OAHLLOKOSA-N 2 2 338.496 1.007 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(CO)CCCC3)C2)CC1 ZINC000681186520 486963666 /nfs/dbraw/zinc/96/36/66/486963666.db2.gz IZWHWCYZAKISOK-OAHLLOKOSA-N 2 2 338.496 1.007 20 0 EDADLP CN(C(=O)NC[C@H]1CCCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681212655 486974759 /nfs/dbraw/zinc/97/47/59/486974759.db2.gz TUDFWZMZTQALLS-DLBZAZTESA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NC[C@H]1CCCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681212655 486974762 /nfs/dbraw/zinc/97/47/62/486974762.db2.gz TUDFWZMZTQALLS-DLBZAZTESA-N 2 2 338.496 1.365 20 0 EDADLP CO[C@H]1CCC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000684374670 487041427 /nfs/dbraw/zinc/04/14/27/487041427.db2.gz SUMPAIXYIYTCAW-SJORKVTESA-N 2 2 346.475 1.668 20 0 EDADLP C[C@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@H]1C[NH+](C)CCO1 ZINC000677432711 487080321 /nfs/dbraw/zinc/08/03/21/487080321.db2.gz JKCLXDKRLPJWKL-RRQGHBQHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@H]1C[NH+](C)CCO1 ZINC000677432711 487080325 /nfs/dbraw/zinc/08/03/25/487080325.db2.gz JKCLXDKRLPJWKL-RRQGHBQHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@H]1C[N@H+](C)CCO1 ZINC000677432711 487080330 /nfs/dbraw/zinc/08/03/30/487080330.db2.gz JKCLXDKRLPJWKL-RRQGHBQHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000677432711 487080334 /nfs/dbraw/zinc/08/03/34/487080334.db2.gz JKCLXDKRLPJWKL-RRQGHBQHSA-N 2 2 332.448 1.191 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000673662806 487081859 /nfs/dbraw/zinc/08/18/59/487081859.db2.gz ULTFJVCQTDTNQH-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000673662806 487081863 /nfs/dbraw/zinc/08/18/63/487081863.db2.gz ULTFJVCQTDTNQH-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000673662806 487081866 /nfs/dbraw/zinc/08/18/66/487081866.db2.gz ULTFJVCQTDTNQH-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000673662806 487081869 /nfs/dbraw/zinc/08/18/69/487081869.db2.gz ULTFJVCQTDTNQH-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673858931 487135336 /nfs/dbraw/zinc/13/53/36/487135336.db2.gz IGYGTEUJXFGHPF-ZDUSSCGKSA-N 2 2 330.392 1.110 20 0 EDADLP CN(C)[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1c[nH+]cn1C ZINC000684831729 487172253 /nfs/dbraw/zinc/17/22/53/487172253.db2.gz IZJMQBSMLSCUNW-INIZCTEOSA-N 2 2 335.496 1.603 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCSC3)C2)CC1 ZINC000674029000 487187109 /nfs/dbraw/zinc/18/71/09/487187109.db2.gz BBACIXJIIWOPTQ-UONOGXRCSA-N 2 2 326.510 1.350 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCSC3)C2)CC1 ZINC000674029000 487187112 /nfs/dbraw/zinc/18/71/12/487187112.db2.gz BBACIXJIIWOPTQ-UONOGXRCSA-N 2 2 326.510 1.350 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000677866965 487186388 /nfs/dbraw/zinc/18/63/88/487186388.db2.gz NWVLIDNWMKRLPB-MRXNPFEDSA-N 2 2 325.416 1.416 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000677866965 487186392 /nfs/dbraw/zinc/18/63/92/487186392.db2.gz NWVLIDNWMKRLPB-MRXNPFEDSA-N 2 2 325.416 1.416 20 0 EDADLP CC[N@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000677886948 487191235 /nfs/dbraw/zinc/19/12/35/487191235.db2.gz XWHZLXTXZMDANT-DLBZAZTESA-N 2 2 346.475 1.477 20 0 EDADLP CC[N@@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000677886948 487191238 /nfs/dbraw/zinc/19/12/38/487191238.db2.gz XWHZLXTXZMDANT-DLBZAZTESA-N 2 2 346.475 1.477 20 0 EDADLP c1n[nH]cc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000685442001 487275322 /nfs/dbraw/zinc/27/53/22/487275322.db2.gz XEPHNJAXYLYJLP-IBGZPJMESA-N 2 2 325.460 1.802 20 0 EDADLP c1n[nH]cc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000685442001 487275324 /nfs/dbraw/zinc/27/53/24/487275324.db2.gz XEPHNJAXYLYJLP-IBGZPJMESA-N 2 2 325.460 1.802 20 0 EDADLP c1[nH+]cn(Cc2ccccc2)c1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000682085908 487299989 /nfs/dbraw/zinc/29/99/89/487299989.db2.gz VZZMGTIOBUCDHN-SFHVURJKSA-N 2 2 326.444 1.838 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000533821352 487351754 /nfs/dbraw/zinc/35/17/54/487351754.db2.gz ZPEIPYJPMILWCB-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000533821352 487351756 /nfs/dbraw/zinc/35/17/56/487351756.db2.gz ZPEIPYJPMILWCB-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000533821352 487351761 /nfs/dbraw/zinc/35/17/61/487351761.db2.gz ZPEIPYJPMILWCB-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533821352 487351763 /nfs/dbraw/zinc/35/17/63/487351763.db2.gz ZPEIPYJPMILWCB-RHSMWYFYSA-N 2 2 332.448 1.193 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccn(C(F)F)n3)C2)CC1 ZINC000678841021 487370893 /nfs/dbraw/zinc/37/08/93/487370893.db2.gz LUCPVTDGDXENMV-NSHDSACASA-N 2 2 327.379 1.177 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccn(C(F)F)n3)C2)CC1 ZINC000678841021 487370896 /nfs/dbraw/zinc/37/08/96/487370896.db2.gz LUCPVTDGDXENMV-NSHDSACASA-N 2 2 327.379 1.177 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682512704 487379133 /nfs/dbraw/zinc/37/91/33/487379133.db2.gz MKFWVWCWYDIMPS-XHSDSOJGSA-N 2 2 332.448 1.205 20 0 EDADLP CSc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000682900801 487428137 /nfs/dbraw/zinc/42/81/37/487428137.db2.gz YAESVEFJHDJABG-GFCCVEGCSA-N 2 2 337.493 1.040 20 0 EDADLP CSc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000682900801 487428139 /nfs/dbraw/zinc/42/81/39/487428139.db2.gz YAESVEFJHDJABG-GFCCVEGCSA-N 2 2 337.493 1.040 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675766386 487442246 /nfs/dbraw/zinc/44/22/46/487442246.db2.gz KHUSMZNHBFPTOO-GDBMZVCRSA-N 2 2 337.489 1.971 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675766386 487442248 /nfs/dbraw/zinc/44/22/48/487442248.db2.gz KHUSMZNHBFPTOO-GDBMZVCRSA-N 2 2 337.489 1.971 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)c(N2CCCC2)[nH+]1 ZINC000679699304 487458889 /nfs/dbraw/zinc/45/88/89/487458889.db2.gz AWACSQLVASZIDA-INIZCTEOSA-N 2 2 345.491 1.242 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](OC(F)F)C2)CC1 ZINC000679699502 487458909 /nfs/dbraw/zinc/45/89/09/487458909.db2.gz FRPVQMCEIKYFEB-CQSZACIVSA-N 2 2 348.438 1.426 20 0 EDADLP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000675912930 487459321 /nfs/dbraw/zinc/45/93/21/487459321.db2.gz NQHFPDZOMMGEHC-CZUORRHYSA-N 2 2 329.510 1.261 20 0 EDADLP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000675912930 487459323 /nfs/dbraw/zinc/45/93/23/487459323.db2.gz NQHFPDZOMMGEHC-CZUORRHYSA-N 2 2 329.510 1.261 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)[nH+]c12 ZINC000669511950 485477348 /nfs/dbraw/zinc/47/73/48/485477348.db2.gz OJFUALHIXFQQCD-GDBMZVCRSA-N 2 2 327.432 1.579 20 0 EDADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2C[NH2+]C2)c(C)c1 ZINC000669540626 485524582 /nfs/dbraw/zinc/52/45/82/485524582.db2.gz RYXNCCLOKKWGJS-QGZVFWFLSA-N 2 2 327.432 1.760 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324649970 485580620 /nfs/dbraw/zinc/58/06/20/485580620.db2.gz XEAOYUJFQIXXFM-WMZOPIPTSA-N 2 2 331.460 1.775 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000324649970 485580628 /nfs/dbraw/zinc/58/06/28/485580628.db2.gz XEAOYUJFQIXXFM-WMZOPIPTSA-N 2 2 331.460 1.775 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NC[C@H]3CCCC[NH2+]3)c[nH+]2)CCO1 ZINC000669162347 485757838 /nfs/dbraw/zinc/75/78/38/485757838.db2.gz YZBFOXKDQQPHAX-GOEBONIOSA-N 2 2 347.463 1.248 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)C3([NH+](C)C)CC3)CC2)oc1C ZINC000668611256 485946048 /nfs/dbraw/zinc/94/60/48/485946048.db2.gz LGJXRTHNQKFLOC-UHFFFAOYSA-N 2 2 334.464 1.714 20 0 EDADLP CN(C(=O)Cc1cc(C2CC2)no1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618698 485960433 /nfs/dbraw/zinc/96/04/33/485960433.db2.gz SYZDGZAIXDXHRB-MRXNPFEDSA-N 2 2 346.475 1.721 20 0 EDADLP CN(C(=O)Cc1cc(C2CC2)no1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618698 485960439 /nfs/dbraw/zinc/96/04/39/485960439.db2.gz SYZDGZAIXDXHRB-MRXNPFEDSA-N 2 2 346.475 1.721 20 0 EDADLP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000238017259 486024878 /nfs/dbraw/zinc/02/48/78/486024878.db2.gz LSQCMNURPPLLLC-QAPCUYQASA-N 2 2 329.444 1.054 20 0 EDADLP Cc1ccn([C@@H](C)CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000668687156 486046145 /nfs/dbraw/zinc/04/61/45/486046145.db2.gz INOVEQAIMHYMPV-INIZCTEOSA-N 2 2 335.496 1.627 20 0 EDADLP Cc1ccn([C@@H](C)CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000668687156 486046152 /nfs/dbraw/zinc/04/61/52/486046152.db2.gz INOVEQAIMHYMPV-INIZCTEOSA-N 2 2 335.496 1.627 20 0 EDADLP Cc1cn2ccc(NC(=O)N[C@H]3CCC[N@H+](CCCO)C3)cc2[nH+]1 ZINC000668165371 486184298 /nfs/dbraw/zinc/18/42/98/486184298.db2.gz VZTBDBIBUQEBIM-HNNXBMFYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cn2ccc(NC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)cc2[nH+]1 ZINC000668165371 486184302 /nfs/dbraw/zinc/18/43/02/486184302.db2.gz VZTBDBIBUQEBIM-HNNXBMFYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@H]3CCCC[N@@H+]3CCO)cc2[nH+]1 ZINC000668165306 486184740 /nfs/dbraw/zinc/18/47/40/486184740.db2.gz SXNBLABUHBYRKB-OAHLLOKOSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@H]3CCCC[N@H+]3CCO)cc2[nH+]1 ZINC000668165306 486184745 /nfs/dbraw/zinc/18/47/45/486184745.db2.gz SXNBLABUHBYRKB-OAHLLOKOSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)[nH+]c12 ZINC000669511740 486294496 /nfs/dbraw/zinc/29/44/96/486294496.db2.gz CHAANTDKWWWWAP-ZFWWWQNUSA-N 2 2 329.448 1.812 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)c2cc1C ZINC000669943569 486525796 /nfs/dbraw/zinc/52/57/96/486525796.db2.gz IQMKEMXZVZUYGI-OAGGEKHMSA-N 2 2 331.416 1.114 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H]4COC[C@H](C3)O4)c2cc1C ZINC000669943569 486525802 /nfs/dbraw/zinc/52/58/02/486525802.db2.gz IQMKEMXZVZUYGI-OAGGEKHMSA-N 2 2 331.416 1.114 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)Nc2cc[nH+]cc2N(C)C)CCCO1 ZINC000670079255 486604890 /nfs/dbraw/zinc/60/48/90/486604890.db2.gz FFMFPLACHBYAQM-CQSZACIVSA-N 2 2 335.452 1.192 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cc[nH+]cc2N(C)C)CCCO1 ZINC000670079255 486604896 /nfs/dbraw/zinc/60/48/96/486604896.db2.gz FFMFPLACHBYAQM-CQSZACIVSA-N 2 2 335.452 1.192 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)ccc2[nH+]1 ZINC000519528714 486640367 /nfs/dbraw/zinc/64/03/67/486640367.db2.gz MIEIBKOOSXUQFT-GOSISDBHSA-N 2 2 341.415 1.183 20 0 EDADLP C[C@@H](C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1)[NH+](C)C ZINC000078698394 491002285 /nfs/dbraw/zinc/00/22/85/491002285.db2.gz SBZVFEWDSMGBQC-ZDUSSCGKSA-N 2 2 349.866 1.582 20 0 EDADLP C[N@@H+]1CCCC12CCN(c1cc(N3CCC(C)(O)CC3)[nH+]cn1)CC2 ZINC000663768787 500777171 /nfs/dbraw/zinc/77/71/71/500777171.db2.gz PVEQJUJHXHFXSJ-UHFFFAOYSA-N 2 2 345.491 1.892 20 0 EDADLP C[N@H+]1CCCC12CCN(c1cc(N3CCC(C)(O)CC3)[nH+]cn1)CC2 ZINC000663768787 500777173 /nfs/dbraw/zinc/77/71/73/500777173.db2.gz PVEQJUJHXHFXSJ-UHFFFAOYSA-N 2 2 345.491 1.892 20 0 EDADLP C[N@@H+]1CCCC12CCN(c1cc(N3CCC(C)(O)CC3)nc[nH+]1)CC2 ZINC000663768787 500777174 /nfs/dbraw/zinc/77/71/74/500777174.db2.gz PVEQJUJHXHFXSJ-UHFFFAOYSA-N 2 2 345.491 1.892 20 0 EDADLP C[N@H+]1CCCC12CCN(c1cc(N3CCC(C)(O)CC3)nc[nH+]1)CC2 ZINC000663768787 500777176 /nfs/dbraw/zinc/77/71/76/500777176.db2.gz PVEQJUJHXHFXSJ-UHFFFAOYSA-N 2 2 345.491 1.892 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000167509134 533855741 /nfs/dbraw/zinc/85/57/41/533855741.db2.gz WUUDHZVCYGRPPC-WDSOQIARSA-N 2 2 345.487 1.863 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000159335607 533947947 /nfs/dbraw/zinc/94/79/47/533947947.db2.gz CGRJTXUHQXRYOV-UYAOXDASSA-N 3 2 330.520 1.877 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159335607 533947956 /nfs/dbraw/zinc/94/79/56/533947956.db2.gz CGRJTXUHQXRYOV-UYAOXDASSA-N 3 2 330.520 1.877 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000159179845 534004859 /nfs/dbraw/zinc/00/48/59/534004859.db2.gz CEMQTCBONXBEOO-QRQLOZEOSA-N 2 2 328.460 1.887 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000159179845 534004867 /nfs/dbraw/zinc/00/48/67/534004867.db2.gz CEMQTCBONXBEOO-QRQLOZEOSA-N 2 2 328.460 1.887 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@H](C)C1 ZINC000130469842 527881351 /nfs/dbraw/zinc/88/13/51/527881351.db2.gz VHUNRLNWQFZXOM-AEFFLSMTSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@H](C)C1 ZINC000130469842 527881363 /nfs/dbraw/zinc/88/13/63/527881363.db2.gz VHUNRLNWQFZXOM-AEFFLSMTSA-N 3 2 331.508 1.653 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000174881140 528057685 /nfs/dbraw/zinc/05/76/85/528057685.db2.gz HZUXNQKIZXTCAR-HOTGVXAUSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000174881140 528057689 /nfs/dbraw/zinc/05/76/89/528057689.db2.gz HZUXNQKIZXTCAR-HOTGVXAUSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000174881140 528057695 /nfs/dbraw/zinc/05/76/95/528057695.db2.gz HZUXNQKIZXTCAR-HOTGVXAUSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000174881140 528057696 /nfs/dbraw/zinc/05/76/96/528057696.db2.gz HZUXNQKIZXTCAR-HOTGVXAUSA-N 2 2 339.480 1.062 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000158999063 528582789 /nfs/dbraw/zinc/58/27/89/528582789.db2.gz OZGAUDJHVRYVAV-SJLPKXTDSA-N 2 2 346.475 1.570 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000181521275 529130608 /nfs/dbraw/zinc/13/06/08/529130608.db2.gz JEMYLIVTIGTLRG-IEBWSBKVSA-N 2 2 345.487 1.483 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000181521275 529130609 /nfs/dbraw/zinc/13/06/09/529130609.db2.gz JEMYLIVTIGTLRG-IEBWSBKVSA-N 2 2 345.487 1.483 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C2)CC1 ZINC000174546734 529151215 /nfs/dbraw/zinc/15/12/15/529151215.db2.gz LUGGVVDLHASJAO-ZWKOTPCHSA-N 2 2 338.540 1.591 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C2)CC1 ZINC000174546734 529151216 /nfs/dbraw/zinc/15/12/16/529151216.db2.gz LUGGVVDLHASJAO-ZWKOTPCHSA-N 2 2 338.540 1.591 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21)[NH+]1CCOCC1 ZINC000339711141 535102425 /nfs/dbraw/zinc/10/24/25/535102425.db2.gz KHTQCSGFEIIFQN-JKSUJKDBSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21)[NH+]1CCOCC1 ZINC000339711141 535102427 /nfs/dbraw/zinc/10/24/27/535102427.db2.gz KHTQCSGFEIIFQN-JKSUJKDBSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000038421522 535193128 /nfs/dbraw/zinc/19/31/28/535193128.db2.gz HHUNKGKTNMLKNK-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000339812661 535213881 /nfs/dbraw/zinc/21/38/81/535213881.db2.gz CBMXCZPGNDQDAH-INIZCTEOSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000339812661 535213884 /nfs/dbraw/zinc/21/38/84/535213884.db2.gz CBMXCZPGNDQDAH-INIZCTEOSA-N 2 2 325.497 1.678 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000246244010 535263318 /nfs/dbraw/zinc/26/33/18/535263318.db2.gz VJMYLYWWLWHUDA-DLBZAZTESA-N 2 2 347.507 1.853 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000246244010 535263325 /nfs/dbraw/zinc/26/33/25/535263325.db2.gz VJMYLYWWLWHUDA-DLBZAZTESA-N 2 2 347.507 1.853 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000246244010 535263329 /nfs/dbraw/zinc/26/33/29/535263329.db2.gz VJMYLYWWLWHUDA-DLBZAZTESA-N 2 2 347.507 1.853 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000246244010 535263334 /nfs/dbraw/zinc/26/33/34/535263334.db2.gz VJMYLYWWLWHUDA-DLBZAZTESA-N 2 2 347.507 1.853 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000344731199 535273329 /nfs/dbraw/zinc/27/33/29/535273329.db2.gz QQURVWQQYADONU-WMZOPIPTSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000344731199 535273333 /nfs/dbraw/zinc/27/33/33/535273333.db2.gz QQURVWQQYADONU-WMZOPIPTSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344731199 535273339 /nfs/dbraw/zinc/27/33/39/535273339.db2.gz QQURVWQQYADONU-WMZOPIPTSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000344731199 535273340 /nfs/dbraw/zinc/27/33/40/535273340.db2.gz QQURVWQQYADONU-WMZOPIPTSA-N 2 2 337.508 1.820 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCO1 ZINC000333736920 535354639 /nfs/dbraw/zinc/35/46/39/535354639.db2.gz ILBGPNXZIKSGSR-CVEARBPZSA-N 2 2 338.496 1.128 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCO1 ZINC000333736920 535354642 /nfs/dbraw/zinc/35/46/42/535354642.db2.gz ILBGPNXZIKSGSR-CVEARBPZSA-N 2 2 338.496 1.128 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000352609555 535379813 /nfs/dbraw/zinc/37/98/13/535379813.db2.gz ISYFEUQRNOZDMR-INIZCTEOSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000352609555 535379814 /nfs/dbraw/zinc/37/98/14/535379814.db2.gz ISYFEUQRNOZDMR-INIZCTEOSA-N 2 2 349.479 1.036 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)c1ccccc1 ZINC000186789690 535665826 /nfs/dbraw/zinc/66/58/26/535665826.db2.gz OVQVQRMGLGOVDE-AEFFLSMTSA-N 2 2 333.476 1.595 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000237038902 535952792 /nfs/dbraw/zinc/95/27/92/535952792.db2.gz LFVKBBHEEDEKPJ-JQHSSLGASA-N 2 2 333.476 1.858 20 0 EDADLP CC[C@@]1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000119597862 536025423 /nfs/dbraw/zinc/02/54/23/536025423.db2.gz YEQODXIQCQQEPZ-RDTXWAMCSA-N 2 2 332.448 1.313 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCS(=O)(=O)NCC2CCC2)s1 ZINC000352765269 536057769 /nfs/dbraw/zinc/05/77/69/536057769.db2.gz MBTLQIBEHKCDIX-UHFFFAOYSA-N 2 2 346.522 1.014 20 0 EDADLP CCc1cncc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000345260726 536070114 /nfs/dbraw/zinc/07/01/14/536070114.db2.gz KAVCKZNHTFQYDN-HNNXBMFYSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1cncc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000345260726 536070116 /nfs/dbraw/zinc/07/01/16/536070116.db2.gz KAVCKZNHTFQYDN-HNNXBMFYSA-N 2 2 330.476 1.885 20 0 EDADLP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248840986 536100265 /nfs/dbraw/zinc/10/02/65/536100265.db2.gz LKWHUSBHQBLCQH-HZPDHXFCSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248840986 536100270 /nfs/dbraw/zinc/10/02/70/536100270.db2.gz LKWHUSBHQBLCQH-HZPDHXFCSA-N 2 2 325.497 1.819 20 0 EDADLP C[NH+](C)C1(CNC2CC[NH+](Cc3ccccn3)CC2)CCOCC1 ZINC000346090021 536113438 /nfs/dbraw/zinc/11/34/38/536113438.db2.gz DBDYPHCAGNUUEW-UHFFFAOYSA-N 2 2 332.492 1.746 20 0 EDADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270108034 536319601 /nfs/dbraw/zinc/31/96/01/536319601.db2.gz CUOUWESJYFKOFE-AWEZNQCLSA-N 2 2 343.431 1.655 20 0 EDADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270108034 536319604 /nfs/dbraw/zinc/31/96/04/536319604.db2.gz CUOUWESJYFKOFE-AWEZNQCLSA-N 2 2 343.431 1.655 20 0 EDADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261665752 536412187 /nfs/dbraw/zinc/41/21/87/536412187.db2.gz BLMRRRIUUPBCIF-KRWDZBQOSA-N 2 2 348.466 1.548 20 0 EDADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261665752 536412189 /nfs/dbraw/zinc/41/21/89/536412189.db2.gz BLMRRRIUUPBCIF-KRWDZBQOSA-N 2 2 348.466 1.548 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)CC1 ZINC000093597798 536425781 /nfs/dbraw/zinc/42/57/81/536425781.db2.gz VYLHGOHSNFUICH-KRWDZBQOSA-N 3 2 344.507 1.146 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cn2)CC1 ZINC000093597798 536425783 /nfs/dbraw/zinc/42/57/83/536425783.db2.gz VYLHGOHSNFUICH-KRWDZBQOSA-N 3 2 344.507 1.146 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262400723 536670684 /nfs/dbraw/zinc/67/06/84/536670684.db2.gz ZQQYATQXTITDDW-DZGCQCFKSA-N 2 2 343.830 1.533 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262400723 536670689 /nfs/dbraw/zinc/67/06/89/536670689.db2.gz ZQQYATQXTITDDW-DZGCQCFKSA-N 2 2 343.830 1.533 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c2[nH+]ccn2C)cc1 ZINC000262679373 536926552 /nfs/dbraw/zinc/92/65/52/536926552.db2.gz VUKAPFPPIIXKHQ-YCPHGPKFSA-N 2 2 328.416 1.762 20 0 EDADLP CC(C)n1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000742667081 579458863 /nfs/dbraw/zinc/45/88/63/579458863.db2.gz POPKUBKLCJOCFG-INIZCTEOSA-N 2 2 333.480 1.291 20 0 EDADLP CC(C)n1ccc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000742667081 579458864 /nfs/dbraw/zinc/45/88/64/579458864.db2.gz POPKUBKLCJOCFG-INIZCTEOSA-N 2 2 333.480 1.291 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000726256874 578339247 /nfs/dbraw/zinc/33/92/47/578339247.db2.gz QINNMZRQJKNVON-IAGOWNOFSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000726256874 578339249 /nfs/dbraw/zinc/33/92/49/578339249.db2.gz QINNMZRQJKNVON-IAGOWNOFSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000726256874 578339250 /nfs/dbraw/zinc/33/92/50/578339250.db2.gz QINNMZRQJKNVON-IAGOWNOFSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000726256874 578339252 /nfs/dbraw/zinc/33/92/52/578339252.db2.gz QINNMZRQJKNVON-IAGOWNOFSA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000727072238 578514250 /nfs/dbraw/zinc/51/42/50/578514250.db2.gz LOGNZCQAOHKPHQ-UHFFFAOYSA-N 2 2 346.504 1.819 20 0 EDADLP CC[C@@H]1CC(=O)N(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000760286043 580027110 /nfs/dbraw/zinc/02/71/10/580027110.db2.gz GGWOMPOUYDJBPD-QGZVFWFLSA-N 2 2 336.524 1.693 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000753825345 578645430 /nfs/dbraw/zinc/64/54/30/578645430.db2.gz RVJNGAIQGHGGBE-STQMWFEESA-N 2 2 326.510 1.789 20 0 EDADLP C[NH+](C)C[C@@H](NC(=S)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000730594550 578652817 /nfs/dbraw/zinc/65/28/17/578652817.db2.gz BCXBEXOXYFOPNJ-MRXNPFEDSA-N 2 2 336.505 1.086 20 0 EDADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000761081570 580047394 /nfs/dbraw/zinc/04/73/94/580047394.db2.gz ZWSHJAIKRVLNFU-HNNXBMFYSA-N 2 2 336.505 1.028 20 0 EDADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1C ZINC000761081570 580047395 /nfs/dbraw/zinc/04/73/95/580047395.db2.gz ZWSHJAIKRVLNFU-HNNXBMFYSA-N 2 2 336.505 1.028 20 0 EDADLP CS[C@@H]1CC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000745896360 579566905 /nfs/dbraw/zinc/56/69/05/579566905.db2.gz JEIHICFJDXXABC-GOEBONIOSA-N 2 2 342.553 1.938 20 0 EDADLP CS[C@@H]1CC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000745896360 579566906 /nfs/dbraw/zinc/56/69/06/579566906.db2.gz JEIHICFJDXXABC-GOEBONIOSA-N 2 2 342.553 1.938 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000746318757 579586953 /nfs/dbraw/zinc/58/69/53/579586953.db2.gz RQHTXBKNXVMTGP-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000746318757 579586955 /nfs/dbraw/zinc/58/69/55/579586955.db2.gz RQHTXBKNXVMTGP-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000746318757 579586957 /nfs/dbraw/zinc/58/69/57/579586957.db2.gz RQHTXBKNXVMTGP-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000746318757 579586959 /nfs/dbraw/zinc/58/69/59/579586959.db2.gz RQHTXBKNXVMTGP-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP O=C(Nc1ccccc1)NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000747681714 579653692 /nfs/dbraw/zinc/65/36/92/579653692.db2.gz PIWVXQLAWXCSAQ-GOSISDBHSA-N 2 2 346.475 1.729 20 0 EDADLP O=C(OCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000747700645 579654621 /nfs/dbraw/zinc/65/46/21/579654621.db2.gz LFNFIBDNSDUUPL-SFHVURJKSA-N 2 2 332.444 1.774 20 0 EDADLP O=C(OCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000747700645 579654623 /nfs/dbraw/zinc/65/46/23/579654623.db2.gz LFNFIBDNSDUUPL-SFHVURJKSA-N 2 2 332.444 1.774 20 0 EDADLP CCc1noc(CCCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000748745786 579698974 /nfs/dbraw/zinc/69/89/74/579698974.db2.gz BVRAZSDURXOIEL-UHFFFAOYSA-N 2 2 337.468 1.097 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000749207311 579716839 /nfs/dbraw/zinc/71/68/39/579716839.db2.gz LVQWDCYOXDVENP-HZPDHXFCSA-N 2 2 340.431 1.693 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000749207311 579716840 /nfs/dbraw/zinc/71/68/40/579716840.db2.gz LVQWDCYOXDVENP-HZPDHXFCSA-N 2 2 340.431 1.693 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000749812130 579740847 /nfs/dbraw/zinc/74/08/47/579740847.db2.gz QLHQHUIMQVVUFM-LSDHHAIUSA-N 2 2 327.469 1.384 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000749812130 579740848 /nfs/dbraw/zinc/74/08/48/579740848.db2.gz QLHQHUIMQVVUFM-LSDHHAIUSA-N 2 2 327.469 1.384 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c(N(C)C)[nH+]1 ZINC000750232421 579756444 /nfs/dbraw/zinc/75/64/44/579756444.db2.gz FOTJUDINEHTUPG-UHFFFAOYSA-N 2 2 347.463 1.337 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)c(N(C)C)[nH+]1 ZINC000750232421 579756445 /nfs/dbraw/zinc/75/64/45/579756445.db2.gz FOTJUDINEHTUPG-UHFFFAOYSA-N 2 2 347.463 1.337 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(N(C)C)[nH+]1 ZINC000750391113 579761607 /nfs/dbraw/zinc/76/16/07/579761607.db2.gz VEPIJDGMUFEBIX-KBPBESRZSA-N 2 2 333.436 1.441 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(N(C)C)[nH+]1 ZINC000750391113 579761609 /nfs/dbraw/zinc/76/16/09/579761609.db2.gz VEPIJDGMUFEBIX-KBPBESRZSA-N 2 2 333.436 1.441 20 0 EDADLP O=C(CC[NH+]1CCOCC1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000750854333 579784131 /nfs/dbraw/zinc/78/41/31/579784131.db2.gz LGXOOGPEYGAOHD-UHFFFAOYSA-N 2 2 346.475 1.801 20 0 EDADLP Cc1ccc(-n2c[nH+]c3c2CCN(C[C@@H](O)C[NH+]2CCCC2)C3)cc1 ZINC000753792340 579887430 /nfs/dbraw/zinc/88/74/30/579887430.db2.gz JMPIILOEWZVYEQ-SFHVURJKSA-N 2 2 340.471 1.996 20 0 EDADLP COC(=O)C[C@@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000754541454 579906008 /nfs/dbraw/zinc/90/60/08/579906008.db2.gz RZYIPELTKFNCNT-JKSUJKDBSA-N 2 2 345.443 1.945 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000754933976 579916465 /nfs/dbraw/zinc/91/64/65/579916465.db2.gz XAHHRSOKWJQOQX-INIZCTEOSA-N 2 2 345.491 1.013 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)NC3(CCCCCC3)C2=O)C1 ZINC000755786792 579935057 /nfs/dbraw/zinc/93/50/57/579935057.db2.gz BQMMFKUXMRVPCZ-CQSZACIVSA-N 2 2 345.447 1.812 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)NC3(CCCCCC3)C2=O)C1 ZINC000755786792 579935058 /nfs/dbraw/zinc/93/50/58/579935058.db2.gz BQMMFKUXMRVPCZ-CQSZACIVSA-N 2 2 345.447 1.812 20 0 EDADLP CC(C)n1ncc2cc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)c(Cl)nc21 ZINC000762557325 580077519 /nfs/dbraw/zinc/07/75/19/580077519.db2.gz YTBYHPCYCJUGGJ-INIZCTEOSA-N 2 2 337.855 1.822 20 0 EDADLP CC(C)n1ncc2cc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)c(Cl)nc21 ZINC000762557325 580077520 /nfs/dbraw/zinc/07/75/20/580077520.db2.gz YTBYHPCYCJUGGJ-INIZCTEOSA-N 2 2 337.855 1.822 20 0 EDADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(OC)ccc32)CC1 ZINC000765462685 580143077 /nfs/dbraw/zinc/14/30/77/580143077.db2.gz FEVDNFJOOIMJDD-UHFFFAOYSA-N 2 2 328.416 1.502 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000766253333 580162833 /nfs/dbraw/zinc/16/28/33/580162833.db2.gz VCFCHILQMQOKHF-GJZGRUSLSA-N 2 2 342.447 1.891 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000766253333 580162834 /nfs/dbraw/zinc/16/28/34/580162834.db2.gz VCFCHILQMQOKHF-GJZGRUSLSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000766782526 580173805 /nfs/dbraw/zinc/17/38/05/580173805.db2.gz GGUAUXSTSRRBMT-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000766782526 580173806 /nfs/dbraw/zinc/17/38/06/580173806.db2.gz GGUAUXSTSRRBMT-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CS(=O)(=O)Nc1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000767745489 580198447 /nfs/dbraw/zinc/19/84/47/580198447.db2.gz RHZUUXLCBSIGIA-UHFFFAOYSA-N 2 2 349.460 1.077 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770003312 580250871 /nfs/dbraw/zinc/25/08/71/580250871.db2.gz PPAVOEQJCAXZPL-CQSZACIVSA-N 2 2 329.466 1.051 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770003312 580250872 /nfs/dbraw/zinc/25/08/72/580250872.db2.gz PPAVOEQJCAXZPL-CQSZACIVSA-N 2 2 329.466 1.051 20 0 EDADLP C[S@](=O)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000770510888 580262755 /nfs/dbraw/zinc/26/27/55/580262755.db2.gz UJCIRVZCFBEDJC-MBSDFSHPSA-N 2 2 335.517 1.257 20 0 EDADLP C[S@](=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000770510888 580262756 /nfs/dbraw/zinc/26/27/56/580262756.db2.gz UJCIRVZCFBEDJC-MBSDFSHPSA-N 2 2 335.517 1.257 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000772611532 580316764 /nfs/dbraw/zinc/31/67/64/580316764.db2.gz YTZDXKWDHOIZNX-CVEARBPZSA-N 2 2 342.443 1.714 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000772611532 580316765 /nfs/dbraw/zinc/31/67/65/580316765.db2.gz YTZDXKWDHOIZNX-CVEARBPZSA-N 2 2 342.443 1.714 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(=O)NCC3CC3)CC2)cc1 ZINC000779177081 580480627 /nfs/dbraw/zinc/48/06/27/580480627.db2.gz DTPBMSYEQWVNIU-UHFFFAOYSA-N 2 2 330.476 1.837 20 0 EDADLP CC(C)(C)OC(=O)NC1(C)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000781972937 580562140 /nfs/dbraw/zinc/56/21/40/580562140.db2.gz GEGFIXFXGAPSTE-HNNXBMFYSA-N 2 2 341.496 1.822 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000783984707 580610202 /nfs/dbraw/zinc/61/02/02/580610202.db2.gz OJKRGPPQMOOFIW-SJORKVTESA-N 2 2 345.491 1.644 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000783989455 580610511 /nfs/dbraw/zinc/61/05/11/580610511.db2.gz RJRHNUUHCLXNPJ-HOTGVXAUSA-N 2 2 331.464 1.254 20 0 EDADLP C[NH+](C)C1CC[NH+]([C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)CC1 ZINC000787705068 580702434 /nfs/dbraw/zinc/70/24/34/580702434.db2.gz JFAWQZCVPVVETP-YJBOKZPZSA-N 2 2 341.496 1.773 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000788246958 580715039 /nfs/dbraw/zinc/71/50/39/580715039.db2.gz UGUNNCWGHATURE-YOEHRIQHSA-N 2 2 346.475 1.762 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000788246958 580715040 /nfs/dbraw/zinc/71/50/40/580715040.db2.gz UGUNNCWGHATURE-YOEHRIQHSA-N 2 2 346.475 1.762 20 0 EDADLP Nc1cc(COC(=O)CCCC(=O)OCc2cc[nH+]c(N)c2)cc[nH+]1 ZINC000791744685 580800890 /nfs/dbraw/zinc/80/08/90/580800890.db2.gz LRFUNOMRDQDXFW-UHFFFAOYSA-N 2 2 344.371 1.598 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc(Cl)cn2)CC1 ZINC000799131273 581017813 /nfs/dbraw/zinc/01/78/13/581017813.db2.gz KJUIKKVJQZLHIQ-UHFFFAOYSA-N 2 2 325.844 1.020 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799301849 581024590 /nfs/dbraw/zinc/02/45/90/581024590.db2.gz XCLYVNOKERCHBF-AEFFLSMTSA-N 2 2 336.455 1.356 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799301849 581024591 /nfs/dbraw/zinc/02/45/91/581024591.db2.gz XCLYVNOKERCHBF-AEFFLSMTSA-N 2 2 336.455 1.356 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000801410030 581075381 /nfs/dbraw/zinc/07/53/81/581075381.db2.gz MEFPKOUMOVUVRP-INIZCTEOSA-N 2 2 337.851 1.535 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(N3CCC(C[NH+]4CCN(C)CC4)CC3)c12 ZINC000891988635 590729161 /nfs/dbraw/zinc/72/91/61/590729161.db2.gz WBEMTKFBTFVUBI-UHFFFAOYSA-N 2 2 342.491 1.984 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000891990533 590731023 /nfs/dbraw/zinc/73/10/23/590731023.db2.gz VYIVJOJLRHDRPT-HZPDHXFCSA-N 2 2 331.464 1.640 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]CCc2cnccn2)CC1 ZINC000893286294 590755138 /nfs/dbraw/zinc/75/51/38/590755138.db2.gz SDNRKYCMTGCEEC-UHFFFAOYSA-N 2 2 349.479 1.598 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H](C)CC[NH3+])C2)cc1 ZINC000892056196 590776291 /nfs/dbraw/zinc/77/62/91/590776291.db2.gz QOLNIKZMVLOCKR-DOTOQJQBSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H](C)CC[NH3+])C2)cc1 ZINC000892056196 590776295 /nfs/dbraw/zinc/77/62/95/590776295.db2.gz QOLNIKZMVLOCKR-DOTOQJQBSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C2)c1 ZINC000892142845 590820124 /nfs/dbraw/zinc/82/01/24/590820124.db2.gz OLWYOFQOBJFXDT-ZMSDIMECSA-N 2 2 334.464 1.231 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])C2)c1 ZINC000892142845 590820130 /nfs/dbraw/zinc/82/01/30/590820130.db2.gz OLWYOFQOBJFXDT-ZMSDIMECSA-N 2 2 334.464 1.231 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]31)COCC2 ZINC000892235598 590878384 /nfs/dbraw/zinc/87/83/84/590878384.db2.gz XEGLXGLVRCAODO-RPVQJOFSSA-N 2 2 334.464 1.176 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]31)COCC2 ZINC000892235598 590878386 /nfs/dbraw/zinc/87/83/86/590878386.db2.gz XEGLXGLVRCAODO-RPVQJOFSSA-N 2 2 334.464 1.176 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)C2CC2)[C@H](C)C1 ZINC000840877895 591023237 /nfs/dbraw/zinc/02/32/37/591023237.db2.gz BZBZBXUGMBWZGX-GDBMZVCRSA-N 2 2 332.510 1.290 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)C2CC2)[C@H](C)C1 ZINC000840877895 591023243 /nfs/dbraw/zinc/02/32/43/591023243.db2.gz BZBZBXUGMBWZGX-GDBMZVCRSA-N 2 2 332.510 1.290 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892514143 591054757 /nfs/dbraw/zinc/05/47/57/591054757.db2.gz WONYIZQFWJKPKX-AWEZNQCLSA-N 2 2 335.477 1.138 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892514215 591054892 /nfs/dbraw/zinc/05/48/92/591054892.db2.gz YSFSZJXWDJLYBZ-GASCZTMLSA-N 2 2 347.488 1.281 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)OCCO2 ZINC000892530881 591061809 /nfs/dbraw/zinc/06/18/09/591061809.db2.gz ADXLMTJRYIIUNX-HUUCEWRRSA-N 2 2 332.379 1.991 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000893761438 591080665 /nfs/dbraw/zinc/08/06/65/591080665.db2.gz DNLSXHHSVGNXDA-HIFRSBDPSA-N 2 2 331.420 1.161 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000893761438 591080669 /nfs/dbraw/zinc/08/06/69/591080669.db2.gz DNLSXHHSVGNXDA-HIFRSBDPSA-N 2 2 331.420 1.161 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000891526920 591107392 /nfs/dbraw/zinc/10/73/92/591107392.db2.gz GCZKNRFWPNODBO-MAUKXSAKSA-N 2 2 339.528 1.029 20 0 EDADLP CCC(CC)[NH2+]CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000893866239 591120198 /nfs/dbraw/zinc/12/01/98/591120198.db2.gz IZFSSFLNTGSKIZ-UHFFFAOYSA-N 3 2 327.517 1.090 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3(C[NH3+])CCCCC3)C2)CC1 ZINC000891561257 591126062 /nfs/dbraw/zinc/12/60/62/591126062.db2.gz VXZILEXDHIEMKA-OAHLLOKOSA-N 3 2 337.512 1.116 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3(C[NH3+])CCCCC3)C2)CC1 ZINC000891561257 591126064 /nfs/dbraw/zinc/12/60/64/591126064.db2.gz VXZILEXDHIEMKA-OAHLLOKOSA-N 3 2 337.512 1.116 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000892714424 591144428 /nfs/dbraw/zinc/14/44/28/591144428.db2.gz NCKSQGHSIVEDRS-UHFFFAOYSA-N 2 2 330.476 1.541 20 0 EDADLP COc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)nc1 ZINC000892751841 591160841 /nfs/dbraw/zinc/16/08/41/591160841.db2.gz SKWZSUAIHOTSFC-UHFFFAOYSA-N 2 2 327.432 1.527 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891681443 591182384 /nfs/dbraw/zinc/18/23/84/591182384.db2.gz MJSDTIAWDRWSQE-QGZVFWFLSA-N 2 2 335.411 1.848 20 0 EDADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc[nH+]cc3CO)CC2)n1 ZINC000892847728 591202435 /nfs/dbraw/zinc/20/24/35/591202435.db2.gz YDUJGMSRIRCLJA-CYBMUJFWSA-N 2 2 347.419 1.377 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)C1(F)F ZINC000894149318 591208053 /nfs/dbraw/zinc/20/80/53/591208053.db2.gz JZMKLGMCYFUWEI-KFWWJZLASA-N 2 2 326.387 1.803 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc[nH+]c(C)c2Br)CC[N@H+](C)C1 ZINC000894190671 591223103 /nfs/dbraw/zinc/22/31/03/591223103.db2.gz RLZOFYISXZSRAY-NSHDSACASA-N 2 2 342.237 1.694 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc[nH+]c(C)c2Br)CC[N@@H+](C)C1 ZINC000894190671 591223105 /nfs/dbraw/zinc/22/31/05/591223105.db2.gz RLZOFYISXZSRAY-NSHDSACASA-N 2 2 342.237 1.694 20 0 EDADLP COC(=O)c1cc(Cl)cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000841124924 591227497 /nfs/dbraw/zinc/22/74/97/591227497.db2.gz WTGRDQGIIWAHGR-CYBMUJFWSA-N 2 2 340.811 1.233 20 0 EDADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(I)n1 ZINC000894254281 591249606 /nfs/dbraw/zinc/24/96/06/591249606.db2.gz MLTLGVDBYBZREO-SNVBAGLBSA-N 2 2 348.232 1.456 20 0 EDADLP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(I)n1 ZINC000894254281 591249608 /nfs/dbraw/zinc/24/96/08/591249608.db2.gz MLTLGVDBYBZREO-SNVBAGLBSA-N 2 2 348.232 1.456 20 0 EDADLP Cc1cnc(F)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000896004762 591321512 /nfs/dbraw/zinc/32/15/12/591321512.db2.gz NYMLFSRZBVZNDH-UHFFFAOYSA-N 2 2 334.439 1.818 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000894521442 591330596 /nfs/dbraw/zinc/33/05/96/591330596.db2.gz WHLIUXARHZNAEZ-HNNXBMFYSA-N 2 2 327.469 1.744 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000896059233 591331269 /nfs/dbraw/zinc/33/12/69/591331269.db2.gz UUEYTDJHYGKPOR-KRWDZBQOSA-N 2 2 331.460 1.909 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000896059233 591331273 /nfs/dbraw/zinc/33/12/73/591331273.db2.gz UUEYTDJHYGKPOR-KRWDZBQOSA-N 2 2 331.460 1.909 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)s1 ZINC000896463725 591475209 /nfs/dbraw/zinc/47/52/09/591475209.db2.gz UAZKIEFXBHVTGG-MRXNPFEDSA-N 2 2 338.477 1.915 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[NH+](C)C)c1ccc(F)cc1F ZINC000898735309 591499615 /nfs/dbraw/zinc/49/96/15/591499615.db2.gz ZYMFZGSVMPBRMX-AWEZNQCLSA-N 2 2 337.374 1.649 20 0 EDADLP CCC(CC)[NH2+]CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000896595500 591546073 /nfs/dbraw/zinc/54/60/73/591546073.db2.gz URUMPRLFDALSCZ-UHFFFAOYSA-N 2 2 327.498 1.782 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C[C@H]1O ZINC000897676821 591616205 /nfs/dbraw/zinc/61/62/05/591616205.db2.gz ZFVKVXAIIJNERI-GXFFZTMASA-N 2 2 328.359 1.882 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C[C@H]1O ZINC000897676821 591616206 /nfs/dbraw/zinc/61/62/06/591616206.db2.gz ZFVKVXAIIJNERI-GXFFZTMASA-N 2 2 328.359 1.882 20 0 EDADLP O=c1[nH]c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2[nH]1 ZINC000895193357 591651653 /nfs/dbraw/zinc/65/16/53/591651653.db2.gz WFKIYICFGRBXNA-OAHLLOKOSA-N 2 2 330.432 1.955 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000895549885 591794401 /nfs/dbraw/zinc/79/44/01/591794401.db2.gz NUEBCHTVJYPUCB-OAHLLOKOSA-N 2 2 332.448 1.407 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000895549885 591794403 /nfs/dbraw/zinc/79/44/03/591794403.db2.gz NUEBCHTVJYPUCB-OAHLLOKOSA-N 2 2 332.448 1.407 20 0 EDADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000898308163 591865813 /nfs/dbraw/zinc/86/58/13/591865813.db2.gz QLSMEGVHWLAOQK-UHFFFAOYSA-N 3 2 334.512 1.248 20 0 EDADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000898308163 591865820 /nfs/dbraw/zinc/86/58/20/591865820.db2.gz QLSMEGVHWLAOQK-UHFFFAOYSA-N 3 2 334.512 1.248 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000898313258 591868199 /nfs/dbraw/zinc/86/81/99/591868199.db2.gz SIRHUFAAMJUZQV-HOCLYGCPSA-N 2 2 333.542 1.612 20 0 EDADLP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1=O ZINC000902183399 591934086 /nfs/dbraw/zinc/93/40/86/591934086.db2.gz RIKFZGOROGRCOE-DOMZBBRYSA-N 2 2 332.404 1.155 20 0 EDADLP COc1c[nH]c(CO)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1=O ZINC000902183399 591934088 /nfs/dbraw/zinc/93/40/88/591934088.db2.gz RIKFZGOROGRCOE-DOMZBBRYSA-N 2 2 332.404 1.155 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)CNc3cccc[nH+]3)cc2)CC1 ZINC000900191662 591935436 /nfs/dbraw/zinc/93/54/36/591935436.db2.gz HVWCBBFLPKMOCY-UHFFFAOYSA-N 2 2 339.443 1.880 20 0 EDADLP C/C(=C/C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900216874 591946347 /nfs/dbraw/zinc/94/63/47/591946347.db2.gz YLSBGSOYUGVPGT-SKQHNDAPSA-N 2 2 337.508 1.893 20 0 EDADLP C/C(=C/C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900216874 591946351 /nfs/dbraw/zinc/94/63/51/591946351.db2.gz YLSBGSOYUGVPGT-SKQHNDAPSA-N 2 2 337.508 1.893 20 0 EDADLP NC(=[NH+]OCc1cnsn1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000902238850 591953031 /nfs/dbraw/zinc/95/30/31/591953031.db2.gz QFBMBAONVPPWAK-UHFFFAOYSA-N 2 2 347.444 1.542 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CN2C[C@@]3(CCCOC3)C2=O)CC1 ZINC000902243208 591956642 /nfs/dbraw/zinc/95/66/42/591956642.db2.gz KOKBWWFQZLFJPT-LJQANCHMSA-N 2 2 345.443 1.830 20 0 EDADLP [NH3+]CC1([C@@H]2CCCCN2c2cc(N3CCOCC3)[nH+]cn2)CCC1 ZINC000900421584 592014166 /nfs/dbraw/zinc/01/41/66/592014166.db2.gz DQXUITVXPYVTQI-HNNXBMFYSA-N 2 2 331.464 1.801 20 0 EDADLP [NH3+]CC1([C@@H]2CCCCN2c2cc(N3CCOCC3)nc[nH+]2)CCC1 ZINC000900421584 592014168 /nfs/dbraw/zinc/01/41/68/592014168.db2.gz DQXUITVXPYVTQI-HNNXBMFYSA-N 2 2 331.464 1.801 20 0 EDADLP COc1ccc(OCCn2cc(C[NH2+]C3CC[NH+](C)CC3)nn2)cc1 ZINC000900494449 592033839 /nfs/dbraw/zinc/03/38/39/592033839.db2.gz BDUKJKDAFRNLAJ-UHFFFAOYSA-N 2 2 345.447 1.550 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900517481 592043263 /nfs/dbraw/zinc/04/32/63/592043263.db2.gz HIQYMOFMCJCLBY-UHFFFAOYSA-N 2 2 330.432 1.695 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(CCOCc3ccccc3)nn2)CC1 ZINC000900527605 592047810 /nfs/dbraw/zinc/04/78/10/592047810.db2.gz RQJDDPVQXVJAEI-UHFFFAOYSA-N 2 2 329.448 1.679 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900534370 592050044 /nfs/dbraw/zinc/05/00/44/592050044.db2.gz MYZKOIOLWVSDLW-AWEZNQCLSA-N 2 2 348.369 1.251 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900534370 592050047 /nfs/dbraw/zinc/05/00/47/592050047.db2.gz MYZKOIOLWVSDLW-AWEZNQCLSA-N 2 2 348.369 1.251 20 0 EDADLP Cc1cn(C)nc1CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000902727240 592053349 /nfs/dbraw/zinc/05/33/49/592053349.db2.gz UHGMIVWSDRRECG-KRWDZBQOSA-N 2 2 343.431 1.628 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@](C)(O)c3ccc(F)cc3)nn2)CC1 ZINC000900581594 592058494 /nfs/dbraw/zinc/05/84/94/592058494.db2.gz PIKTUYYQBBUABO-SFHVURJKSA-N 2 2 347.438 1.509 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000900592544 592062345 /nfs/dbraw/zinc/06/23/45/592062345.db2.gz ZFNWPNLCIWSGKI-XLIONFOSSA-N 2 2 345.487 1.565 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000900592544 592062347 /nfs/dbraw/zinc/06/23/47/592062347.db2.gz ZFNWPNLCIWSGKI-XLIONFOSSA-N 2 2 345.487 1.565 20 0 EDADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000900592544 592062349 /nfs/dbraw/zinc/06/23/49/592062349.db2.gz ZFNWPNLCIWSGKI-XLIONFOSSA-N 2 2 345.487 1.565 20 0 EDADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000900592544 592062351 /nfs/dbraw/zinc/06/23/51/592062351.db2.gz ZFNWPNLCIWSGKI-XLIONFOSSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902886955 592079618 /nfs/dbraw/zinc/07/96/18/592079618.db2.gz XLNUBXDWQGMOLM-RHSMWYFYSA-N 2 2 348.472 1.947 20 0 EDADLP CN(C(=O)OC1COC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000902909337 592083253 /nfs/dbraw/zinc/08/32/53/592083253.db2.gz SDRYKKXJOVDBSG-IAGOWNOFSA-N 2 2 339.480 1.791 20 0 EDADLP CN(C(=O)OC1COC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000902909337 592083256 /nfs/dbraw/zinc/08/32/56/592083256.db2.gz SDRYKKXJOVDBSG-IAGOWNOFSA-N 2 2 339.480 1.791 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900695136 592088609 /nfs/dbraw/zinc/08/86/09/592088609.db2.gz MBVWHMRLKNGKHM-KRWDZBQOSA-N 2 2 327.432 1.819 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900695136 592088611 /nfs/dbraw/zinc/08/86/11/592088611.db2.gz MBVWHMRLKNGKHM-KRWDZBQOSA-N 2 2 327.432 1.819 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000903063575 592111959 /nfs/dbraw/zinc/11/19/59/592111959.db2.gz FKRACCBKVYFQIB-SQNIBIBYSA-N 2 2 337.508 1.901 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000903063575 592111962 /nfs/dbraw/zinc/11/19/62/592111962.db2.gz FKRACCBKVYFQIB-SQNIBIBYSA-N 2 2 337.508 1.901 20 0 EDADLP C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903048379 592113626 /nfs/dbraw/zinc/11/36/26/592113626.db2.gz MOIFCYXGJXLVKU-QAPCUYQASA-N 2 2 331.416 1.691 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCO[C@@]23CCOC3)C1 ZINC000903202506 592134972 /nfs/dbraw/zinc/13/49/72/592134972.db2.gz CWTABAPLQAIGLK-HSALFYBXSA-N 2 2 345.487 1.340 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCO[C@@]23CCOC3)C1 ZINC000903202506 592134974 /nfs/dbraw/zinc/13/49/74/592134974.db2.gz CWTABAPLQAIGLK-HSALFYBXSA-N 2 2 345.487 1.340 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000903299864 592153425 /nfs/dbraw/zinc/15/34/25/592153425.db2.gz CCWQUMVPXCCCOO-OFQRWUPVSA-N 2 2 339.480 1.249 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000903299864 592153427 /nfs/dbraw/zinc/15/34/27/592153427.db2.gz CCWQUMVPXCCCOO-OFQRWUPVSA-N 2 2 339.480 1.249 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903301279 592153504 /nfs/dbraw/zinc/15/35/04/592153504.db2.gz PNFHFNWHAVLGOW-GZBFAFLISA-N 2 2 325.478 1.694 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301279 592153507 /nfs/dbraw/zinc/15/35/07/592153507.db2.gz PNFHFNWHAVLGOW-GZBFAFLISA-N 2 2 325.478 1.694 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000903441833 592172247 /nfs/dbraw/zinc/17/22/47/592172247.db2.gz BWLVMTWZYSQNFY-UMQBVGHOSA-N 2 2 336.524 1.154 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000901083517 592227575 /nfs/dbraw/zinc/22/75/75/592227575.db2.gz VJOGLDWREJDYPM-OAHLLOKOSA-N 2 2 344.415 1.226 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000901083517 592227577 /nfs/dbraw/zinc/22/75/77/592227577.db2.gz VJOGLDWREJDYPM-OAHLLOKOSA-N 2 2 344.415 1.226 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000901107541 592232478 /nfs/dbraw/zinc/23/24/78/592232478.db2.gz YNOFJWTXFHBFTI-UHFFFAOYSA-N 2 2 344.415 1.184 20 0 EDADLP [NH3+]C1(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000904444233 592263067 /nfs/dbraw/zinc/26/30/67/592263067.db2.gz OUKRQDJKLVAKFC-UHFFFAOYSA-N 2 2 340.265 1.867 20 0 EDADLP Cn1c2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)cc2[nH+]c1C1CC1 ZINC000908057431 592277666 /nfs/dbraw/zinc/27/76/66/592277666.db2.gz ZPSLHNYTAHYUFC-LIRRHRJNSA-N 2 2 342.443 1.522 20 0 EDADLP Cn1c2ccc(CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)cc2[nH+]c1C1CC1 ZINC000908057431 592277671 /nfs/dbraw/zinc/27/76/71/592277671.db2.gz ZPSLHNYTAHYUFC-LIRRHRJNSA-N 2 2 342.443 1.522 20 0 EDADLP CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717963 592280168 /nfs/dbraw/zinc/28/01/68/592280168.db2.gz GNAWDYSXLVDIAX-IFXJQAMLSA-N 2 2 342.443 1.926 20 0 EDADLP CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717963 592280172 /nfs/dbraw/zinc/28/01/72/592280172.db2.gz GNAWDYSXLVDIAX-IFXJQAMLSA-N 2 2 342.443 1.926 20 0 EDADLP C/C=C/[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201290 592283432 /nfs/dbraw/zinc/28/34/32/592283432.db2.gz OBAJSDYGJWZVCE-QQTATGOZSA-N 2 2 337.508 1.719 20 0 EDADLP C/C=C/[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201290 592283433 /nfs/dbraw/zinc/28/34/33/592283433.db2.gz OBAJSDYGJWZVCE-QQTATGOZSA-N 2 2 337.508 1.719 20 0 EDADLP CSCC[C@H]([NH3+])Cc1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000904644703 592302642 /nfs/dbraw/zinc/30/26/42/592302642.db2.gz QVRUICPWHVXAMT-AVGNSLFASA-N 2 2 326.466 1.618 20 0 EDADLP CSCC[C@H]([NH3+])Cc1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000904644703 592302648 /nfs/dbraw/zinc/30/26/48/592302648.db2.gz QVRUICPWHVXAMT-AVGNSLFASA-N 2 2 326.466 1.618 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756645 592314175 /nfs/dbraw/zinc/31/41/75/592314175.db2.gz UWPPBARORREWJG-CVEARBPZSA-N 2 2 334.464 1.559 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756645 592314178 /nfs/dbraw/zinc/31/41/78/592314178.db2.gz UWPPBARORREWJG-CVEARBPZSA-N 2 2 334.464 1.559 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCCN1C(=O)c2ccccc2C1=O ZINC000903794737 592316950 /nfs/dbraw/zinc/31/69/50/592316950.db2.gz CWAQEEWAZQBCRQ-KUHUBIRLSA-N 2 2 327.428 1.876 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCCN1C(=O)c2ccccc2C1=O ZINC000903794737 592316955 /nfs/dbraw/zinc/31/69/55/592316955.db2.gz CWAQEEWAZQBCRQ-KUHUBIRLSA-N 2 2 327.428 1.876 20 0 EDADLP COc1ccc([C@@H]2C[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903778194 592318978 /nfs/dbraw/zinc/31/89/78/592318978.db2.gz KIZNWCYYRVZDNH-FHWLQOOXSA-N 2 2 332.444 1.837 20 0 EDADLP COc1ccc([C@@H]2C[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903778194 592318983 /nfs/dbraw/zinc/31/89/83/592318983.db2.gz KIZNWCYYRVZDNH-FHWLQOOXSA-N 2 2 332.444 1.837 20 0 EDADLP C[C@H](NC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(F)cc1 ZINC000903814742 592323688 /nfs/dbraw/zinc/32/36/88/592323688.db2.gz ILECDJLYTLEMAX-HNNXBMFYSA-N 2 2 349.450 1.847 20 0 EDADLP C[C@H](NC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(F)cc1 ZINC000903814742 592323692 /nfs/dbraw/zinc/32/36/92/592323692.db2.gz ILECDJLYTLEMAX-HNNXBMFYSA-N 2 2 349.450 1.847 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC000908115236 592328155 /nfs/dbraw/zinc/32/81/55/592328155.db2.gz PQODFEVXUNPSMY-BBRMVZONSA-N 2 2 334.464 1.030 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C2 ZINC000908115236 592328160 /nfs/dbraw/zinc/32/81/60/592328160.db2.gz PQODFEVXUNPSMY-BBRMVZONSA-N 2 2 334.464 1.030 20 0 EDADLP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903807617 592329422 /nfs/dbraw/zinc/32/94/22/592329422.db2.gz MIAFDNSTOUJGJW-UHFFFAOYSA-N 2 2 333.432 1.658 20 0 EDADLP CC(=O)c1ccc(NC(=O)CC[N@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903807617 592329426 /nfs/dbraw/zinc/32/94/26/592329426.db2.gz MIAFDNSTOUJGJW-UHFFFAOYSA-N 2 2 333.432 1.658 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000903843302 592342778 /nfs/dbraw/zinc/34/27/78/592342778.db2.gz IALKQUWRAIMMPF-ULQDDVLXSA-N 3 2 348.516 1.204 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000903843302 592342784 /nfs/dbraw/zinc/34/27/84/592342784.db2.gz IALKQUWRAIMMPF-ULQDDVLXSA-N 3 2 348.516 1.204 20 0 EDADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000903858690 592348855 /nfs/dbraw/zinc/34/88/55/592348855.db2.gz YCURTHUBABTRHG-VLIAUNLRSA-N 2 2 338.455 1.866 20 0 EDADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000903858690 592348858 /nfs/dbraw/zinc/34/88/58/592348858.db2.gz YCURTHUBABTRHG-VLIAUNLRSA-N 2 2 338.455 1.866 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cnn1C ZINC000903889640 592350991 /nfs/dbraw/zinc/35/09/91/592350991.db2.gz URYHKKGHJPOTSB-IRXDYDNUSA-N 3 2 342.491 1.675 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cnn1C ZINC000903889640 592350994 /nfs/dbraw/zinc/35/09/94/592350994.db2.gz URYHKKGHJPOTSB-IRXDYDNUSA-N 3 2 342.491 1.675 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000903889843 592351262 /nfs/dbraw/zinc/35/12/62/592351262.db2.gz WISJOKGFJFKZNY-CVEARBPZSA-N 3 2 341.463 1.532 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000903889843 592351267 /nfs/dbraw/zinc/35/12/67/592351267.db2.gz WISJOKGFJFKZNY-CVEARBPZSA-N 3 2 341.463 1.532 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903892873 592365710 /nfs/dbraw/zinc/36/57/10/592365710.db2.gz OALNYVDQDLRRPG-AWEZNQCLSA-N 2 2 343.479 1.618 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H]([NH3+])CC(F)F)CC1 ZINC000903919275 592377072 /nfs/dbraw/zinc/37/70/72/592377072.db2.gz CGZSAORUXNUHBN-OAHLLOKOSA-N 2 2 340.418 1.427 20 0 EDADLP [NH3+][C@H](C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)CC(F)F ZINC000903924687 592380107 /nfs/dbraw/zinc/38/01/07/592380107.db2.gz HAWXISUZBRSDTK-ZDUSSCGKSA-N 2 2 340.418 1.662 20 0 EDADLP [NH3+][C@H](CNC1CC[NH+](CC(=O)Nc2ccccc2)CC1)CC(F)F ZINC000903924687 592380111 /nfs/dbraw/zinc/38/01/11/592380111.db2.gz HAWXISUZBRSDTK-ZDUSSCGKSA-N 2 2 340.418 1.662 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCOc3cc(F)ccc3C2)cnn1C ZINC000903935653 592386789 /nfs/dbraw/zinc/38/67/89/592386789.db2.gz RSIBLVYJLZNPBK-CQSZACIVSA-N 2 2 332.423 1.880 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCOc3cc(F)ccc3C2)cnn1C ZINC000903935653 592386790 /nfs/dbraw/zinc/38/67/90/592386790.db2.gz RSIBLVYJLZNPBK-CQSZACIVSA-N 2 2 332.423 1.880 20 0 EDADLP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974243 592397400 /nfs/dbraw/zinc/39/74/00/592397400.db2.gz NDFWUQFJZRLWTL-INIZCTEOSA-N 2 2 327.432 1.720 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccc2cc[nH]c2c1 ZINC000905076562 592404071 /nfs/dbraw/zinc/40/40/71/592404071.db2.gz QGCONVZNWHATSP-NUJGCVRESA-N 2 2 345.443 1.360 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccc2cc[nH]c2c1 ZINC000905076562 592404073 /nfs/dbraw/zinc/40/40/73/592404073.db2.gz QGCONVZNWHATSP-NUJGCVRESA-N 2 2 345.443 1.360 20 0 EDADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908251810 592406966 /nfs/dbraw/zinc/40/69/66/592406966.db2.gz PFQZJHJXLKAHBJ-INIZCTEOSA-N 2 2 333.480 1.450 20 0 EDADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908251810 592406968 /nfs/dbraw/zinc/40/69/68/592406968.db2.gz PFQZJHJXLKAHBJ-INIZCTEOSA-N 2 2 333.480 1.450 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905158912 592425620 /nfs/dbraw/zinc/42/56/20/592425620.db2.gz LRKPGZUHDATJJC-ACWOFJMJSA-N 2 2 329.444 1.980 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905158912 592425625 /nfs/dbraw/zinc/42/56/25/592425625.db2.gz LRKPGZUHDATJJC-ACWOFJMJSA-N 2 2 329.444 1.980 20 0 EDADLP C/C(=C/C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000908357674 592476573 /nfs/dbraw/zinc/47/65/73/592476573.db2.gz HXBJEXFWHWWGHU-TXQCQQFXSA-N 2 2 335.492 1.598 20 0 EDADLP O=S(=O)(CC1CC[NH2+]CC1)NCc1ccc[nH+]c1N1CCCC1 ZINC000905346714 592501085 /nfs/dbraw/zinc/50/10/85/592501085.db2.gz XCNYXJQIAITKMM-UHFFFAOYSA-N 2 2 338.477 1.101 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1cc2ccccc2o1 ZINC000905388208 592514715 /nfs/dbraw/zinc/51/47/15/592514715.db2.gz CDOUVMAXUQDRBL-GJZGRUSLSA-N 2 2 331.416 1.396 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000905513522 592549251 /nfs/dbraw/zinc/54/92/51/592549251.db2.gz ZHEAKNJCWFTORC-KRWDZBQOSA-N 2 2 330.476 1.848 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000905513522 592549252 /nfs/dbraw/zinc/54/92/52/592549252.db2.gz ZHEAKNJCWFTORC-KRWDZBQOSA-N 2 2 330.476 1.848 20 0 EDADLP CCN1CCC[C@@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1=O ZINC000905554891 592564561 /nfs/dbraw/zinc/56/45/61/592564561.db2.gz ZWKVGJPGNACXCS-JKSUJKDBSA-N 2 2 344.459 1.615 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)c2cc1C ZINC000905573509 592570894 /nfs/dbraw/zinc/57/08/94/592570894.db2.gz WDKLFSIEEIMIMW-OLMMMNRUSA-N 2 2 345.443 1.408 20 0 EDADLP CCN1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1=O ZINC000905548996 592571833 /nfs/dbraw/zinc/57/18/33/592571833.db2.gz DSFPHVMWFNQJMR-ZWKOTPCHSA-N 2 2 331.460 1.006 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCCN(c2[nH+]ccc3cc(F)c(F)cc32)C1 ZINC000905626310 592590168 /nfs/dbraw/zinc/59/01/68/592590168.db2.gz SWAQJGNEFCSCEO-LBPRGKRZSA-N 2 2 334.370 1.804 20 0 EDADLP CN1CC[N@H+](C)CC(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000907554374 592705729 /nfs/dbraw/zinc/70/57/29/592705729.db2.gz OMJIKHYNDLKOFT-INIZCTEOSA-N 2 2 345.491 1.029 20 0 EDADLP CN1CC[N@@H+](C)CC(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000907554374 592705732 /nfs/dbraw/zinc/70/57/32/592705732.db2.gz OMJIKHYNDLKOFT-INIZCTEOSA-N 2 2 345.491 1.029 20 0 EDADLP C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000907572483 592715971 /nfs/dbraw/zinc/71/59/71/592715971.db2.gz DYJVBLBBAYFEHC-AWEZNQCLSA-N 2 2 345.472 1.922 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000907572483 592715974 /nfs/dbraw/zinc/71/59/74/592715974.db2.gz DYJVBLBBAYFEHC-AWEZNQCLSA-N 2 2 345.472 1.922 20 0 EDADLP CC1(O)CCN(c2cc(N3CCCC[C@@]4(CC[NH2+]C4)C3)nc[nH+]2)CC1 ZINC000906094032 592740836 /nfs/dbraw/zinc/74/08/36/592740836.db2.gz LHUFSPXCAXKTQM-IBGZPJMESA-N 2 2 345.491 1.798 20 0 EDADLP CC1(O)CCN(c2cc(N3CCCC[C@@]4(CC[NH2+]C4)C3)[nH+]cn2)CC1 ZINC000906094032 592740837 /nfs/dbraw/zinc/74/08/37/592740837.db2.gz LHUFSPXCAXKTQM-IBGZPJMESA-N 2 2 345.491 1.798 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)[nH+]1 ZINC000906511607 592837579 /nfs/dbraw/zinc/83/75/79/592837579.db2.gz LNGJQIUCGJPSLL-MRXNPFEDSA-N 2 2 344.459 1.561 20 0 EDADLP C[C@@H](CNC(=O)c1cccn1CC[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000906545710 592848109 /nfs/dbraw/zinc/84/81/09/592848109.db2.gz YHCANXIAMUJEPN-HNNXBMFYSA-N 2 2 334.464 1.033 20 0 EDADLP C[C@@H](CNC(=O)c1cccn1CC[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000906545710 592848110 /nfs/dbraw/zinc/84/81/10/592848110.db2.gz YHCANXIAMUJEPN-HNNXBMFYSA-N 2 2 334.464 1.033 20 0 EDADLP O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CC[NH2+]Cc2ccccc21 ZINC000911763058 592999642 /nfs/dbraw/zinc/99/96/42/592999642.db2.gz GLMINVDIEHARQG-AEFFLSMTSA-N 2 2 345.443 1.003 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911935515 593039339 /nfs/dbraw/zinc/03/93/39/593039339.db2.gz SJEQHFHWRUXTON-UHFFFAOYSA-N 2 2 330.432 1.260 20 0 EDADLP Cn1cc([C@H]2N(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171122 593233412 /nfs/dbraw/zinc/23/34/12/593233412.db2.gz ILDRABPWBWHPAY-HYVNUMGLSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171122 593233413 /nfs/dbraw/zinc/23/34/13/593233413.db2.gz ILDRABPWBWHPAY-HYVNUMGLSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171122 593233414 /nfs/dbraw/zinc/23/34/14/593233414.db2.gz ILDRABPWBWHPAY-HYVNUMGLSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171122 593233415 /nfs/dbraw/zinc/23/34/15/593233415.db2.gz ILDRABPWBWHPAY-HYVNUMGLSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1c[nH+]c(CNc2ccc(CC[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000808399609 593257078 /nfs/dbraw/zinc/25/70/78/593257078.db2.gz VHUXOUSIQUDAPN-UHFFFAOYSA-N 2 2 341.459 1.772 20 0 EDADLP C[NH+]1CCC(CNC(=O)Nc2cnsn2)([NH+]2CCCCC2)CC1 ZINC000839116246 593263952 /nfs/dbraw/zinc/26/39/52/593263952.db2.gz MYUHHBYYSKGLDZ-UHFFFAOYSA-N 2 2 338.481 1.610 20 0 EDADLP O=C1C[C@@]2(CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)Oc2ccccc21 ZINC000839644393 593362976 /nfs/dbraw/zinc/36/29/76/593362976.db2.gz RHCCOPMWGXUAIG-HNAYVOBHSA-N 2 2 330.428 1.553 20 0 EDADLP O=C1C[C@@]2(CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)Oc2ccccc21 ZINC000839644393 593362979 /nfs/dbraw/zinc/36/29/79/593362979.db2.gz RHCCOPMWGXUAIG-HNAYVOBHSA-N 2 2 330.428 1.553 20 0 EDADLP CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000758224365 593396992 /nfs/dbraw/zinc/39/69/92/593396992.db2.gz RJHPBFZFSHODHF-PBHICJAKSA-N 2 2 331.420 1.588 20 0 EDADLP CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000758224365 593396994 /nfs/dbraw/zinc/39/69/94/593396994.db2.gz RJHPBFZFSHODHF-PBHICJAKSA-N 2 2 331.420 1.588 20 0 EDADLP CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000758224376 593397082 /nfs/dbraw/zinc/39/70/82/593397082.db2.gz RJHPBFZFSHODHF-YOEHRIQHSA-N 2 2 331.420 1.588 20 0 EDADLP CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000758224376 593397085 /nfs/dbraw/zinc/39/70/85/593397085.db2.gz RJHPBFZFSHODHF-YOEHRIQHSA-N 2 2 331.420 1.588 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000758238621 593398309 /nfs/dbraw/zinc/39/83/09/593398309.db2.gz WBRAFMPAUCXSRU-DDUZABMNSA-N 2 2 345.447 1.834 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000758238621 593398312 /nfs/dbraw/zinc/39/83/12/593398312.db2.gz WBRAFMPAUCXSRU-DDUZABMNSA-N 2 2 345.447 1.834 20 0 EDADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813323503 593526239 /nfs/dbraw/zinc/52/62/39/593526239.db2.gz QUEORVXCDICQFC-GFCCVEGCSA-N 2 2 349.394 1.757 20 0 EDADLP CN(C(=O)[C@@](C)(O)c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000817532185 593610391 /nfs/dbraw/zinc/61/03/91/593610391.db2.gz ANKOSAVMJIGIGN-ICSRJNTNSA-N 2 2 345.487 1.521 20 0 EDADLP CN(C(=O)[C@@](C)(O)c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000817532185 593610393 /nfs/dbraw/zinc/61/03/93/593610393.db2.gz ANKOSAVMJIGIGN-ICSRJNTNSA-N 2 2 345.487 1.521 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](F)C(F)(F)F)CC2)CC1 ZINC000817656931 593620343 /nfs/dbraw/zinc/62/03/43/593620343.db2.gz RBUORPZCEOMZGG-ZDUSSCGKSA-N 2 2 339.377 1.905 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](F)C(F)(F)F)CC2)CC1 ZINC000817656931 593620346 /nfs/dbraw/zinc/62/03/46/593620346.db2.gz RBUORPZCEOMZGG-ZDUSSCGKSA-N 2 2 339.377 1.905 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](O)C(C)(C)C)CC2)CC1 ZINC000817656149 593620449 /nfs/dbraw/zinc/62/04/49/593620449.db2.gz BRUXKYNXNAEUQQ-INIZCTEOSA-N 2 2 325.497 1.412 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](O)C(C)(C)C)CC2)CC1 ZINC000817656149 593620450 /nfs/dbraw/zinc/62/04/50/593620450.db2.gz BRUXKYNXNAEUQQ-INIZCTEOSA-N 2 2 325.497 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ZINC000843363070 595088431 /nfs/dbraw/zinc/08/84/31/595088431.db2.gz MJPNGTLOBIVMMB-OCCSQVGLSA-N 2 2 343.431 1.671 20 0 EDADLP C[N@H+](CCO[NH+]=C(N)COC[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000842656326 595160258 /nfs/dbraw/zinc/16/02/58/595160258.db2.gz MRBDOGSPAPPMIS-MRXNPFEDSA-N 2 2 339.411 1.952 20 0 EDADLP C[N@@H+](CCO[NH+]=C(N)COC[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000842656326 595160259 /nfs/dbraw/zinc/16/02/59/595160259.db2.gz MRBDOGSPAPPMIS-MRXNPFEDSA-N 2 2 339.411 1.952 20 0 EDADLP COc1cccc2cc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)oc21 ZINC000843065591 595278682 /nfs/dbraw/zinc/27/86/82/595278682.db2.gz NZIARDBHYQCINV-OAHLLOKOSA-N 2 2 343.427 1.838 20 0 EDADLP COc1cccc2cc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)oc21 ZINC000843065591 595278683 /nfs/dbraw/zinc/27/86/83/595278683.db2.gz NZIARDBHYQCINV-OAHLLOKOSA-N 2 2 343.427 1.838 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1[nH+]ccn1C ZINC000844167486 595289408 /nfs/dbraw/zinc/28/94/08/595289408.db2.gz KTCCVDJVNGDGQW-GJZGRUSLSA-N 2 2 328.416 1.632 20 0 EDADLP C[C@H](c1cccc(NC(=O)CO[C@H]2CCC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000844182725 595294892 /nfs/dbraw/zinc/29/48/92/595294892.db2.gz KBESOJFLNWFOOR-QAPCUYQASA-N 2 2 347.459 1.787 20 0 EDADLP C[NH+]1CCN(c2ccccc2NC(=O)c2csc(C[NH3+])n2)CC1 ZINC000844191298 595297873 /nfs/dbraw/zinc/29/78/73/595297873.db2.gz LDRXYHXPUVHVTC-UHFFFAOYSA-N 2 2 331.445 1.606 20 0 EDADLP c1cn(-c2cc(-c3noc(C[NH2+]C[C@@H]4CCCO4)n3)ccn2)c[nH+]1 ZINC000843186371 595301232 /nfs/dbraw/zinc/30/12/32/595301232.db2.gz QMVJUAXLLXCPMO-ZDUSSCGKSA-N 2 2 326.360 1.586 20 0 EDADLP CN(C)c1ccc(N2C(=O)C[C@@H]([NH2+]C[C@H]3CCC[N@H+](C)C3)C2=O)cc1 ZINC000846701401 595304035 /nfs/dbraw/zinc/30/40/35/595304035.db2.gz FSCGNAZSEAITMQ-RHSMWYFYSA-N 2 2 344.459 1.316 20 0 EDADLP CN(C)c1ccc(N2C(=O)C[C@@H]([NH2+]C[C@H]3CCC[N@@H+](C)C3)C2=O)cc1 ZINC000846701401 595304037 /nfs/dbraw/zinc/30/40/37/595304037.db2.gz FSCGNAZSEAITMQ-RHSMWYFYSA-N 2 2 344.459 1.316 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000844223428 595308131 /nfs/dbraw/zinc/30/81/31/595308131.db2.gz WRPQWKVBWVVWMF-UHFFFAOYSA-N 2 2 332.448 1.275 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000846834678 595324281 /nfs/dbraw/zinc/32/42/81/595324281.db2.gz CWHFBLJBYSCAGH-LLVKDONJSA-N 2 2 347.444 1.399 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C(N)=O)C1 ZINC000846834678 595324283 /nfs/dbraw/zinc/32/42/83/595324283.db2.gz CWHFBLJBYSCAGH-LLVKDONJSA-N 2 2 347.444 1.399 20 0 EDADLP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846877300 595331190 /nfs/dbraw/zinc/33/11/90/595331190.db2.gz FXFPVJPGVZAPOK-AWEZNQCLSA-N 2 2 336.823 1.625 20 0 EDADLP NC(=O)OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848554398 595404934 /nfs/dbraw/zinc/40/49/34/595404934.db2.gz ZVHVBYKDAGJHLS-MSOLQXFVSA-N 2 2 347.459 1.950 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000847449893 595421812 /nfs/dbraw/zinc/42/18/12/595421812.db2.gz ZGHBEKWTANTICT-CRAIPNDOSA-N 2 2 342.443 1.466 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC=C1c2ccccc2C(=O)NC1=O ZINC000849173715 595491254 /nfs/dbraw/zinc/49/12/54/595491254.db2.gz AXXYTXWIZXHECN-VMOJBDSFSA-N 2 2 344.459 1.159 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC=C1c2ccccc2C(=O)NC1=O ZINC000849173715 595491257 /nfs/dbraw/zinc/49/12/57/595491257.db2.gz AXXYTXWIZXHECN-VMOJBDSFSA-N 2 2 344.459 1.159 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000847956030 595504178 /nfs/dbraw/zinc/50/41/78/595504178.db2.gz FBTXIWWIJLYEGE-CQSZACIVSA-N 2 2 330.436 1.198 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000849325938 595506444 /nfs/dbraw/zinc/50/64/44/595506444.db2.gz YEFRSXJSBMCUIF-KGLIPLIRSA-N 2 2 329.485 1.725 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000849325938 595506445 /nfs/dbraw/zinc/50/64/45/595506445.db2.gz YEFRSXJSBMCUIF-KGLIPLIRSA-N 2 2 329.485 1.725 20 0 EDADLP C[C@H](CC(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1)n1cc[nH+]c1 ZINC000845544903 595516331 /nfs/dbraw/zinc/51/63/31/595516331.db2.gz SIDUUGJCYXJNKA-OLZOCXBDSA-N 2 2 330.392 1.419 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C=C2CC[NH2+]CC2)[NH+]2CCOCC2)cc1 ZINC000852860666 595581892 /nfs/dbraw/zinc/58/18/92/595581892.db2.gz HZDAEEUJNOPQHQ-LJQANCHMSA-N 2 2 343.471 1.794 20 0 EDADLP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)=NO1 ZINC000852882834 595596830 /nfs/dbraw/zinc/59/68/30/595596830.db2.gz BNZGLHWBJXLARM-ZDUSSCGKSA-N 2 2 336.823 1.088 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000857841575 595629455 /nfs/dbraw/zinc/62/94/55/595629455.db2.gz MJPRNFRLHVRXRF-LPHOPBHVSA-N 2 2 342.443 1.197 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000857841575 595629458 /nfs/dbraw/zinc/62/94/58/595629458.db2.gz MJPRNFRLHVRXRF-LPHOPBHVSA-N 2 2 342.443 1.197 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853126653 595673831 /nfs/dbraw/zinc/67/38/31/595673831.db2.gz PHOGOFZNDATCDG-UYAOXDASSA-N 2 2 340.471 1.521 20 0 EDADLP CC(C)(C)n1ncc2c1nc(NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)[nH+]c2N ZINC000853241885 595717152 /nfs/dbraw/zinc/71/71/52/595717152.db2.gz MNWBXUFLRFJPHO-VXGBXAGGSA-N 2 2 345.451 1.439 20 0 EDADLP CC(C)(C)n1ncc2c1nc(NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)[nH+]c2N ZINC000853241885 595717154 /nfs/dbraw/zinc/71/71/54/595717154.db2.gz MNWBXUFLRFJPHO-VXGBXAGGSA-N 2 2 345.451 1.439 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1COc2ccccc2C1 ZINC000853249779 595719561 /nfs/dbraw/zinc/71/95/61/595719561.db2.gz IOELHHRJZFFULD-INIZCTEOSA-N 2 2 348.491 1.420 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1COc2ccccc2C1 ZINC000853249779 595719563 /nfs/dbraw/zinc/71/95/63/595719563.db2.gz IOELHHRJZFFULD-INIZCTEOSA-N 2 2 348.491 1.420 20 0 EDADLP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850119304 595744494 /nfs/dbraw/zinc/74/44/94/595744494.db2.gz NDPBUYSRSSCCSO-QRQLOZEOSA-N 2 2 332.444 1.807 20 0 EDADLP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000850119304 595744496 /nfs/dbraw/zinc/74/44/96/595744496.db2.gz NDPBUYSRSSCCSO-QRQLOZEOSA-N 2 2 332.444 1.807 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000850471968 595840006 /nfs/dbraw/zinc/84/00/06/595840006.db2.gz VDJOVTWWIKPBLJ-UYSNPLJNSA-N 2 2 327.469 1.480 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000850471968 595840012 /nfs/dbraw/zinc/84/00/12/595840012.db2.gz VDJOVTWWIKPBLJ-UYSNPLJNSA-N 2 2 327.469 1.480 20 0 EDADLP Cc1[nH]c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1C=O ZINC000858927860 595924577 /nfs/dbraw/zinc/92/45/77/595924577.db2.gz RFNNKCIZAGODCR-UHFFFAOYSA-N 2 2 346.475 1.732 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000114073147 595938759 /nfs/dbraw/zinc/93/87/59/595938759.db2.gz NMACQJZVQMPMAL-ZBFHGGJFSA-N 2 2 328.416 1.729 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000114073147 595938761 /nfs/dbraw/zinc/93/87/61/595938761.db2.gz NMACQJZVQMPMAL-ZBFHGGJFSA-N 2 2 328.416 1.729 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)S1 ZINC000851852869 595947801 /nfs/dbraw/zinc/94/78/01/595947801.db2.gz QTZSDWFTIVOARH-ZNMIVQPWSA-N 2 2 326.510 1.205 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)S1 ZINC000851852869 595947803 /nfs/dbraw/zinc/94/78/03/595947803.db2.gz QTZSDWFTIVOARH-ZNMIVQPWSA-N 2 2 326.510 1.205 20 0 EDADLP CCCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583998 596021156 /nfs/dbraw/zinc/02/11/56/596021156.db2.gz BKPXBSZTUQIUMZ-QGZVFWFLSA-N 2 2 334.464 1.513 20 0 EDADLP CCCNC(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583998 596021160 /nfs/dbraw/zinc/02/11/60/596021160.db2.gz BKPXBSZTUQIUMZ-QGZVFWFLSA-N 2 2 334.464 1.513 20 0 EDADLP CCCNC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856583998 596021162 /nfs/dbraw/zinc/02/11/62/596021162.db2.gz BKPXBSZTUQIUMZ-QGZVFWFLSA-N 2 2 334.464 1.513 20 0 EDADLP CCCNC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856583998 596021165 /nfs/dbraw/zinc/02/11/65/596021165.db2.gz BKPXBSZTUQIUMZ-QGZVFWFLSA-N 2 2 334.464 1.513 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852077658 596035069 /nfs/dbraw/zinc/03/50/69/596035069.db2.gz AAJJAHVYJULYQK-YJBOKZPZSA-N 2 2 339.480 1.650 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852077658 596035072 /nfs/dbraw/zinc/03/50/72/596035072.db2.gz AAJJAHVYJULYQK-YJBOKZPZSA-N 2 2 339.480 1.650 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852077658 596035074 /nfs/dbraw/zinc/03/50/74/596035074.db2.gz AAJJAHVYJULYQK-YJBOKZPZSA-N 2 2 339.480 1.650 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852077658 596035078 /nfs/dbraw/zinc/03/50/78/596035078.db2.gz AAJJAHVYJULYQK-YJBOKZPZSA-N 2 2 339.480 1.650 20 0 EDADLP c1cn(-c2ccc(C[N@H+](CCN3CCOCC3)CC3CC3)cn2)c[nH+]1 ZINC000852634995 596214757 /nfs/dbraw/zinc/21/47/57/596214757.db2.gz BYACXUTZKPNTGA-UHFFFAOYSA-N 2 2 341.459 1.812 20 0 EDADLP c1cn(-c2ccc(C[N@@H+](CCN3CCOCC3)CC3CC3)cn2)c[nH+]1 ZINC000852634995 596214759 /nfs/dbraw/zinc/21/47/59/596214759.db2.gz BYACXUTZKPNTGA-UHFFFAOYSA-N 2 2 341.459 1.812 20 0 EDADLP C[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)NC(=O)OC(C)(C)C ZINC000852708155 596231362 /nfs/dbraw/zinc/23/13/62/596231362.db2.gz RZVWASFDGNDYKR-UKRRQHHQSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)NC(=O)OC(C)(C)C ZINC000852708155 596231364 /nfs/dbraw/zinc/23/13/64/596231364.db2.gz RZVWASFDGNDYKR-UKRRQHHQSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(I)cnn2C)CC[N@@H+]1C ZINC000866630439 596272162 /nfs/dbraw/zinc/27/21/62/596272162.db2.gz PSFLQDZQRICDBO-ZJUUUORDSA-N 2 2 348.232 1.597 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(I)cnn2C)CC[N@H+]1C ZINC000866630439 596272166 /nfs/dbraw/zinc/27/21/66/596272166.db2.gz PSFLQDZQRICDBO-ZJUUUORDSA-N 2 2 348.232 1.597 20 0 EDADLP CC[N@H+](CC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1)C1CC1 ZINC000870535374 596274387 /nfs/dbraw/zinc/27/43/87/596274387.db2.gz CWYJBHACUJLSDA-IRXDYDNUSA-N 2 2 344.459 1.502 20 0 EDADLP CC[N@@H+](CC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1)C1CC1 ZINC000870535374 596274390 /nfs/dbraw/zinc/27/43/90/596274390.db2.gz CWYJBHACUJLSDA-IRXDYDNUSA-N 2 2 344.459 1.502 20 0 EDADLP COc1ccccc1-c1nc(C[N@H+](C)CCN2CC[NH2+]CC2)co1 ZINC000866658980 596283302 /nfs/dbraw/zinc/28/33/02/596283302.db2.gz FOFVZBRBNZRAQG-UHFFFAOYSA-N 2 2 330.432 1.687 20 0 EDADLP COc1ccccc1-c1nc(C[N@@H+](C)CCN2CC[NH2+]CC2)co1 ZINC000866658980 596283304 /nfs/dbraw/zinc/28/33/04/596283304.db2.gz FOFVZBRBNZRAQG-UHFFFAOYSA-N 2 2 330.432 1.687 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[NH2+]CCC3(C)C)CC2)c1 ZINC000866698942 596298660 /nfs/dbraw/zinc/29/86/60/596298660.db2.gz GJAPCGQZEPKFLI-UHFFFAOYSA-N 2 2 344.503 1.718 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[NH2+]CCC3(C)C)CC2)c1 ZINC000866698942 596298662 /nfs/dbraw/zinc/29/86/62/596298662.db2.gz GJAPCGQZEPKFLI-UHFFFAOYSA-N 2 2 344.503 1.718 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1)[NH+]1CCOCC1 ZINC000864670595 596302951 /nfs/dbraw/zinc/30/29/51/596302951.db2.gz YLXPBZBVOWVBRI-CABCVRRESA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1)[NH+]1CCOCC1 ZINC000864670595 596302956 /nfs/dbraw/zinc/30/29/56/596302956.db2.gz YLXPBZBVOWVBRI-CABCVRRESA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)c1noc([C@H](C)[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866710381 596303837 /nfs/dbraw/zinc/30/38/37/596303837.db2.gz PXWWBTCIVBUPDY-LOWDOPEQSA-N 2 2 335.408 1.121 20 0 EDADLP CC(C)c1noc([C@H](C)[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866710381 596303840 /nfs/dbraw/zinc/30/38/40/596303840.db2.gz PXWWBTCIVBUPDY-LOWDOPEQSA-N 2 2 335.408 1.121 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870873499 596385512 /nfs/dbraw/zinc/38/55/12/596385512.db2.gz DBMBZRBIEDVBBH-AOIWGVFYSA-N 2 2 337.508 1.855 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H](C)[NH2+]C3CC3)C2)c1 ZINC000870977844 596425127 /nfs/dbraw/zinc/42/51/27/596425127.db2.gz LZAVHWQWCPJXKX-QAPCUYQASA-N 2 2 331.460 1.453 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H](C)[NH2+]C3CC3)C2)c1 ZINC000870977844 596425130 /nfs/dbraw/zinc/42/51/30/596425130.db2.gz LZAVHWQWCPJXKX-QAPCUYQASA-N 2 2 331.460 1.453 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@]3(F)CC[NH2+]C3)C2)cc1 ZINC000870979372 596426537 /nfs/dbraw/zinc/42/65/37/596426537.db2.gz JLDRNISODLFWGL-FUHWJXTLSA-N 2 2 335.423 1.014 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@]3(F)CC[NH2+]C3)C2)cc1 ZINC000870979372 596426539 /nfs/dbraw/zinc/42/65/39/596426539.db2.gz JLDRNISODLFWGL-FUHWJXTLSA-N 2 2 335.423 1.014 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000869241652 596458466 /nfs/dbraw/zinc/45/84/66/596458466.db2.gz CJACXUUMARFAJK-MOPGFXCFSA-N 2 2 347.503 1.776 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000869241652 596458469 /nfs/dbraw/zinc/45/84/69/596458469.db2.gz CJACXUUMARFAJK-MOPGFXCFSA-N 2 2 347.503 1.776 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000867631208 596469829 /nfs/dbraw/zinc/46/98/29/596469829.db2.gz DCFNJODXQPBYHF-CYBMUJFWSA-N 2 2 348.422 1.320 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000867631208 596469830 /nfs/dbraw/zinc/46/98/30/596469830.db2.gz DCFNJODXQPBYHF-CYBMUJFWSA-N 2 2 348.422 1.320 20 0 EDADLP CC[NH+]1CCC(n2nccc2NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865124788 596485334 /nfs/dbraw/zinc/48/53/34/596485334.db2.gz GGCHFPGOOMEMMC-ARJAWSKDSA-N 2 2 347.463 1.367 20 0 EDADLP CC(C)[C@@H](CNc1nc(N)[nH+]c(C2CCCC2)n1)[NH+]1CCOCC1 ZINC000865426945 596571695 /nfs/dbraw/zinc/57/16/95/596571695.db2.gz JENDAHQRMNOXEG-CQSZACIVSA-N 2 2 334.468 1.880 20 0 EDADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865528468 596600622 /nfs/dbraw/zinc/60/06/22/596600622.db2.gz IINIBOGGZAQGGQ-QGZVFWFLSA-N 2 2 336.386 1.522 20 0 EDADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865528468 596600626 /nfs/dbraw/zinc/60/06/26/596600626.db2.gz IINIBOGGZAQGGQ-QGZVFWFLSA-N 2 2 336.386 1.522 20 0 EDADLP COc1ncc(Br)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000865528496 596600953 /nfs/dbraw/zinc/60/09/53/596600953.db2.gz IXXAALKKGPUILL-CYBMUJFWSA-N 2 2 330.226 1.009 20 0 EDADLP COc1ncc(Br)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000865528496 596600955 /nfs/dbraw/zinc/60/09/55/596600955.db2.gz IXXAALKKGPUILL-CYBMUJFWSA-N 2 2 330.226 1.009 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000865656018 596640246 /nfs/dbraw/zinc/64/02/46/596640246.db2.gz QUMYFEUZOHSGIZ-SFHVURJKSA-N 2 2 328.460 1.866 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000865656018 596640250 /nfs/dbraw/zinc/64/02/50/596640250.db2.gz QUMYFEUZOHSGIZ-SFHVURJKSA-N 2 2 328.460 1.866 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)C1 ZINC000869815599 596646940 /nfs/dbraw/zinc/64/69/40/596646940.db2.gz RBKUNCDDYQNCQM-QGZVFWFLSA-N 2 2 329.444 1.052 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)C1 ZINC000869815599 596646943 /nfs/dbraw/zinc/64/69/43/596646943.db2.gz RBKUNCDDYQNCQM-QGZVFWFLSA-N 2 2 329.444 1.052 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000868055159 596671554 /nfs/dbraw/zinc/67/15/54/596671554.db2.gz BEULYVMBEQISPC-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C1 ZINC000865813624 596693856 /nfs/dbraw/zinc/69/38/56/596693856.db2.gz YTYKCGIDWSAJFV-GDBMZVCRSA-N 2 2 339.505 1.726 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C1 ZINC000865813624 596693857 /nfs/dbraw/zinc/69/38/57/596693857.db2.gz YTYKCGIDWSAJFV-GDBMZVCRSA-N 2 2 339.505 1.726 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000865818186 596696265 /nfs/dbraw/zinc/69/62/65/596696265.db2.gz OREUOHVJEBLIPI-ZFWWWQNUSA-N 2 2 337.489 1.352 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000865818186 596696267 /nfs/dbraw/zinc/69/62/67/596696267.db2.gz OREUOHVJEBLIPI-ZFWWWQNUSA-N 2 2 337.489 1.352 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)cc2C1 ZINC000868206263 596723695 /nfs/dbraw/zinc/72/36/95/596723695.db2.gz VNQFLVJGRCMOCG-INIZCTEOSA-N 2 2 346.479 1.570 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCC([C@@H]4[NH2+]CC4(C)C)CC3)cc2C1 ZINC000868206263 596723697 /nfs/dbraw/zinc/72/36/97/596723697.db2.gz VNQFLVJGRCMOCG-INIZCTEOSA-N 2 2 346.479 1.570 20 0 EDADLP C[NH+](C)C[C@@H]1CN(c2nc(N)[nH+]c(C3CCCC3)n2)C[C@H]1C[NH+](C)C ZINC000866011301 596756997 /nfs/dbraw/zinc/75/69/97/596756997.db2.gz YOOPPGJTGTWQLT-HUUCEWRRSA-N 3 2 347.511 1.287 20 0 EDADLP C[NH+](C)C[C@@H]1CN(c2nc(N)nc(C3CCCC3)[nH+]2)C[C@H]1C[NH+](C)C ZINC000866011301 596756998 /nfs/dbraw/zinc/75/69/98/596756998.db2.gz YOOPPGJTGTWQLT-HUUCEWRRSA-N 3 2 347.511 1.287 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000870123879 596760507 /nfs/dbraw/zinc/76/05/07/596760507.db2.gz SCHYPFIOMYSFAK-MTIYJEKLSA-N 2 2 343.471 1.780 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[NH2+]2)cc1 ZINC000870142133 596769035 /nfs/dbraw/zinc/76/90/35/596769035.db2.gz GUZFMWLZVKGXJC-NVXWUHKLSA-N 2 2 340.427 1.627 20 0 EDADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000868317136 596785703 /nfs/dbraw/zinc/78/57/03/596785703.db2.gz YALPTPHKMVGANQ-UHFFFAOYSA-N 2 2 347.463 1.429 20 0 EDADLP Cc1c(-c2cc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)on2)cnn1C ZINC000872149471 596812753 /nfs/dbraw/zinc/81/27/53/596812753.db2.gz OSMNIKFRLOGUKZ-GWCFXTLKSA-N 2 2 343.353 1.953 20 0 EDADLP Cc1c(-c2cc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)on2)cnn1C ZINC000872149471 596812755 /nfs/dbraw/zinc/81/27/55/596812755.db2.gz OSMNIKFRLOGUKZ-GWCFXTLKSA-N 2 2 343.353 1.953 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C(F)(F)F ZINC000872149272 596812843 /nfs/dbraw/zinc/81/28/43/596812843.db2.gz NHWYNXNKDAKEAJ-CMPLNLGQSA-N 2 2 340.349 1.947 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C(F)(F)F ZINC000872149272 596812844 /nfs/dbraw/zinc/81/28/44/596812844.db2.gz NHWYNXNKDAKEAJ-CMPLNLGQSA-N 2 2 340.349 1.947 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872150286 596813427 /nfs/dbraw/zinc/81/34/27/596813427.db2.gz VTSPZBZPSJACEQ-ZJNRKIDTSA-N 2 2 331.416 1.326 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872150286 596813428 /nfs/dbraw/zinc/81/34/28/596813428.db2.gz VTSPZBZPSJACEQ-ZJNRKIDTSA-N 2 2 331.416 1.326 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000872154466 596814907 /nfs/dbraw/zinc/81/49/07/596814907.db2.gz QQCONDGHRQHMAL-CQSZACIVSA-N 2 2 328.478 1.493 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000872154466 596814908 /nfs/dbraw/zinc/81/49/08/596814908.db2.gz QQCONDGHRQHMAL-CQSZACIVSA-N 2 2 328.478 1.493 20 0 EDADLP C[NH+](C)C[C@H](N)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000872178442 596822104 /nfs/dbraw/zinc/82/21/04/596822104.db2.gz WJYHQNVHQCZDNI-GJZGRUSLSA-N 2 2 331.420 1.205 20 0 EDADLP C[NH+](C)C[C@H](N)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000872178442 596822106 /nfs/dbraw/zinc/82/21/06/596822106.db2.gz WJYHQNVHQCZDNI-GJZGRUSLSA-N 2 2 331.420 1.205 20 0 EDADLP Cc1cc2[nH+]cn(CCc3noc([C@@H](N)C[NH+](C)C)n3)c2cc1C ZINC000872184163 596824464 /nfs/dbraw/zinc/82/44/64/596824464.db2.gz SGHDTZHQSPFAHG-ZDUSSCGKSA-N 2 2 328.420 1.840 20 0 EDADLP C[C@H]1CCN(C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@@H]1n1cc[nH+]c1 ZINC000872193536 596829518 /nfs/dbraw/zinc/82/95/18/596829518.db2.gz ZDHVEGXYLBEHPD-HOTGVXAUSA-N 2 2 349.479 1.270 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000864419009 596887677 /nfs/dbraw/zinc/88/76/77/596887677.db2.gz BVJBUWVFWIWIRX-HOCLYGCPSA-N 2 2 340.431 1.861 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000864421715 596888610 /nfs/dbraw/zinc/88/86/10/596888610.db2.gz NAQADNFUKXGPHU-KRWDZBQOSA-N 2 2 338.496 1.415 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000864421715 596888613 /nfs/dbraw/zinc/88/86/13/596888613.db2.gz NAQADNFUKXGPHU-KRWDZBQOSA-N 2 2 338.496 1.415 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cn3nccc3-c3ccncc3)CC2)CC1 ZINC000872732557 597050705 /nfs/dbraw/zinc/05/07/05/597050705.db2.gz XDTLQTOLQIFBDP-UHFFFAOYSA-N 2 2 340.475 1.614 20 0 EDADLP CCOC(=O)C[NH+]1CCC(COC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000125697319 597060373 /nfs/dbraw/zinc/06/03/73/597060373.db2.gz BVBWGNQPLKHXKW-INIZCTEOSA-N 2 2 340.464 1.679 20 0 EDADLP CCOC(=O)C[NH+]1CCC(COC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000125697319 597060376 /nfs/dbraw/zinc/06/03/76/597060376.db2.gz BVBWGNQPLKHXKW-INIZCTEOSA-N 2 2 340.464 1.679 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)C[C@@H]1C(F)(F)F ZINC000874434016 597076212 /nfs/dbraw/zinc/07/62/12/597076212.db2.gz XWODXFZDWHNEDI-PWSUYJOCSA-N 2 2 341.337 1.613 20 0 EDADLP Cc1csc([C@@H]2CC[N@@H+](CN3C[C@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000872806252 597078168 /nfs/dbraw/zinc/07/81/68/597078168.db2.gz MOJDFKHETXGUQA-ZIAGYGMSSA-N 2 2 345.472 1.948 20 0 EDADLP Cc1csc([C@@H]2CC[N@H+](CN3C[C@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000872806252 597078172 /nfs/dbraw/zinc/07/81/72/597078172.db2.gz MOJDFKHETXGUQA-ZIAGYGMSSA-N 2 2 345.472 1.948 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccnn1C ZINC000876272984 597157743 /nfs/dbraw/zinc/15/77/43/597157743.db2.gz CAKABWYKMYXAID-AWEZNQCLSA-N 2 2 336.484 1.149 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccnn1C ZINC000876272984 597157744 /nfs/dbraw/zinc/15/77/44/597157744.db2.gz CAKABWYKMYXAID-AWEZNQCLSA-N 2 2 336.484 1.149 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000874835796 597191484 /nfs/dbraw/zinc/19/14/84/597191484.db2.gz ALQSYUVVCXAKKZ-RBUKOAKNSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000874835796 597191486 /nfs/dbraw/zinc/19/14/86/597191486.db2.gz ALQSYUVVCXAKKZ-RBUKOAKNSA-N 2 2 343.471 1.828 20 0 EDADLP NC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208751 597227948 /nfs/dbraw/zinc/22/79/48/597227948.db2.gz UPKYDRHPQVKUSB-QGZVFWFLSA-N 2 2 327.453 1.979 20 0 EDADLP c1cc(C[NH+]2CCC([NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)ccn1 ZINC000873292678 597249440 /nfs/dbraw/zinc/24/94/40/597249440.db2.gz URIPUWCGGAPOLV-LJQANCHMSA-N 3 2 344.503 1.794 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCC1(C)C ZINC000875037330 597254460 /nfs/dbraw/zinc/25/44/60/597254460.db2.gz AGNKMOXOACHRQP-UHFFFAOYSA-N 2 2 342.447 1.893 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCC1(C)C ZINC000875037330 597254462 /nfs/dbraw/zinc/25/44/62/597254462.db2.gz AGNKMOXOACHRQP-UHFFFAOYSA-N 2 2 342.447 1.893 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000875169609 597312357 /nfs/dbraw/zinc/31/23/57/597312357.db2.gz RMNIRWVUIXXVMN-GOSISDBHSA-N 2 2 333.476 1.340 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000875169609 597312362 /nfs/dbraw/zinc/31/23/62/597312362.db2.gz RMNIRWVUIXXVMN-GOSISDBHSA-N 2 2 333.476 1.340 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[NH2+]C[C@H]1C(F)F ZINC000876852856 597359745 /nfs/dbraw/zinc/35/97/45/597359745.db2.gz HCPCDAHVBNPMAI-IUCAKERBSA-N 2 2 326.269 1.442 20 0 EDADLP COc1cnc(F)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000876922107 597386055 /nfs/dbraw/zinc/38/60/55/597386055.db2.gz QYSHSLGTAFLKRZ-UHFFFAOYSA-N 2 2 345.422 1.666 20 0 EDADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877202002 597460732 /nfs/dbraw/zinc/46/07/32/597460732.db2.gz VQOJMUNGNKBHON-BWPKMQGJSA-N 2 2 346.500 1.807 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1C(F)(F)F ZINC000877357886 597500374 /nfs/dbraw/zinc/50/03/74/597500374.db2.gz NEQFLRAPZKZYQB-XBFCOCLRSA-N 2 2 349.397 1.225 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1C(F)(F)F ZINC000877357886 597500375 /nfs/dbraw/zinc/50/03/75/597500375.db2.gz NEQFLRAPZKZYQB-XBFCOCLRSA-N 2 2 349.397 1.225 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000877432129 597514491 /nfs/dbraw/zinc/51/44/91/597514491.db2.gz AULTWOQGBBAABP-DOMZBBRYSA-N 2 2 327.375 1.192 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000877432129 597514493 /nfs/dbraw/zinc/51/44/93/597514493.db2.gz AULTWOQGBBAABP-DOMZBBRYSA-N 2 2 327.375 1.192 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000877432054 597514501 /nfs/dbraw/zinc/51/45/01/597514501.db2.gz AKXLFWFOMZBSKK-MSOLQXFVSA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000877432054 597514503 /nfs/dbraw/zinc/51/45/03/597514503.db2.gz AKXLFWFOMZBSKK-MSOLQXFVSA-N 2 2 345.487 1.906 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000877480765 597522946 /nfs/dbraw/zinc/52/29/46/597522946.db2.gz HHDHQUJDNYVZJB-GJZGRUSLSA-N 2 2 330.436 1.428 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000877480765 597522948 /nfs/dbraw/zinc/52/29/48/597522948.db2.gz HHDHQUJDNYVZJB-GJZGRUSLSA-N 2 2 330.436 1.428 20 0 EDADLP COc1cccc(C[NH+]2CCN(Cc3c[nH+]c(N(C)C)n3C)CC2)c1 ZINC000877705436 597549139 /nfs/dbraw/zinc/54/91/39/597549139.db2.gz DPYHORSWOMRGFH-UHFFFAOYSA-N 2 2 343.475 1.813 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000878109072 597579180 /nfs/dbraw/zinc/57/91/80/597579180.db2.gz MLUGCRRRFLRFJL-RTBURBONSA-N 2 2 336.476 1.250 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000878109072 597579181 /nfs/dbraw/zinc/57/91/81/597579181.db2.gz MLUGCRRRFLRFJL-RTBURBONSA-N 2 2 336.476 1.250 20 0 EDADLP C[C@H](ONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncccn1 ZINC000882987432 597608836 /nfs/dbraw/zinc/60/88/36/597608836.db2.gz FMEVKCQMCPYCBR-GOEBONIOSA-N 2 2 341.415 1.937 20 0 EDADLP C[C@H](ONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncccn1 ZINC000882987432 597608837 /nfs/dbraw/zinc/60/88/37/597608837.db2.gz FMEVKCQMCPYCBR-GOEBONIOSA-N 2 2 341.415 1.937 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551646 597629853 /nfs/dbraw/zinc/62/98/53/597629853.db2.gz WYBZXUDGQQNFGC-MRXNPFEDSA-N 2 2 334.464 1.973 20 0 EDADLP C[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578500 597640818 /nfs/dbraw/zinc/64/08/18/597640818.db2.gz TXGKMNBOGZNOIJ-WAPOTWQKSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578500 597640819 /nfs/dbraw/zinc/64/08/19/597640819.db2.gz TXGKMNBOGZNOIJ-WAPOTWQKSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578500 597640821 /nfs/dbraw/zinc/64/08/21/597640821.db2.gz TXGKMNBOGZNOIJ-WAPOTWQKSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578500 597640823 /nfs/dbraw/zinc/64/08/23/597640823.db2.gz TXGKMNBOGZNOIJ-WAPOTWQKSA-N 3 2 334.552 1.817 20 0 EDADLP CO[C@H]1C[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000883261571 597696210 /nfs/dbraw/zinc/69/62/10/597696210.db2.gz GIGCKHRKEMECEV-UAPYVXQJSA-N 2 2 334.460 1.912 20 0 EDADLP CC(C)(C)OC1CC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000883370177 597725673 /nfs/dbraw/zinc/72/56/73/597725673.db2.gz HTOOOGZPTRYSKQ-WWDZGPRUSA-N 2 2 339.524 1.719 20 0 EDADLP Clc1ncccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372333 597726261 /nfs/dbraw/zinc/72/62/61/597726261.db2.gz XBHGFJLYUDWXCC-INIZCTEOSA-N 2 2 338.883 1.621 20 0 EDADLP COCC[N@@H+](Cc1nc(C(=O)OC)cs1)CC1CC[NH+](C)CC1 ZINC000879127312 597827543 /nfs/dbraw/zinc/82/75/43/597827543.db2.gz VHDNXNOWZTTZDL-UHFFFAOYSA-N 2 2 341.477 1.720 20 0 EDADLP COCC[N@H+](Cc1nc(C(=O)OC)cs1)CC1CC[NH+](C)CC1 ZINC000879127312 597827546 /nfs/dbraw/zinc/82/75/46/597827546.db2.gz VHDNXNOWZTTZDL-UHFFFAOYSA-N 2 2 341.477 1.720 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102985 597841873 /nfs/dbraw/zinc/84/18/73/597841873.db2.gz OZAAZZHGLMMGND-AAEUAGOBSA-N 2 2 335.370 1.690 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102985 597841875 /nfs/dbraw/zinc/84/18/75/597841875.db2.gz OZAAZZHGLMMGND-AAEUAGOBSA-N 2 2 335.370 1.690 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133348 597850620 /nfs/dbraw/zinc/85/06/20/597850620.db2.gz SUJPAHKLKRXFBH-NEWSRXKRSA-N 2 2 334.460 1.741 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133348 597850622 /nfs/dbraw/zinc/85/06/22/597850622.db2.gz SUJPAHKLKRXFBH-NEWSRXKRSA-N 2 2 334.460 1.741 20 0 EDADLP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880133348 597850625 /nfs/dbraw/zinc/85/06/25/597850625.db2.gz SUJPAHKLKRXFBH-NEWSRXKRSA-N 2 2 334.460 1.741 20 0 EDADLP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880133348 597850628 /nfs/dbraw/zinc/85/06/28/597850628.db2.gz SUJPAHKLKRXFBH-NEWSRXKRSA-N 2 2 334.460 1.741 20 0 EDADLP CCC1([NH+]2CCCCC2)CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000880254865 597884567 /nfs/dbraw/zinc/88/45/67/597884567.db2.gz QHQSMHFXNXRSIN-HNNXBMFYSA-N 2 2 336.480 1.657 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](OC)(C(F)(F)F)C2)CC1 ZINC000880301423 597895386 /nfs/dbraw/zinc/89/53/86/597895386.db2.gz QIGKTCGFBRFTBA-CQSZACIVSA-N 2 2 337.386 1.240 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](OC)(C(F)(F)F)C2)CC1 ZINC000880301423 597895388 /nfs/dbraw/zinc/89/53/88/597895388.db2.gz QIGKTCGFBRFTBA-CQSZACIVSA-N 2 2 337.386 1.240 20 0 EDADLP O=C(C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)NC(=O)NC1CC1 ZINC000880567520 597966028 /nfs/dbraw/zinc/96/60/28/597966028.db2.gz JNRTUNRQQQSPNS-HNNXBMFYSA-N 2 2 327.388 1.202 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568742 597966654 /nfs/dbraw/zinc/96/66/54/597966654.db2.gz FDDNMJUQZPBOSL-MRXNPFEDSA-N 2 2 344.415 1.236 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CC3CC3)cc2)CC1 ZINC000884199374 598025355 /nfs/dbraw/zinc/02/53/55/598025355.db2.gz XPEDQZIOKLUBBS-MRXNPFEDSA-N 2 2 330.432 1.140 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000914069412 695064722 /nfs/dbraw/zinc/06/47/22/695064722.db2.gz WLNLLOLVJWWZFD-GFCCVEGCSA-N 2 2 327.498 1.734 20 0 EDADLP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939856424 699995097 /nfs/dbraw/zinc/99/50/97/699995097.db2.gz LVVGESQXIQHLEZ-GXTWGEPZSA-N 2 2 333.461 1.327 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)o1 ZINC000992826150 695386383 /nfs/dbraw/zinc/38/63/83/695386383.db2.gz AKAQHIWHFPBTJR-RRQGHBQHSA-N 2 2 343.431 1.666 20 0 EDADLP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@H]21 ZINC000992837266 695396544 /nfs/dbraw/zinc/39/65/44/695396544.db2.gz PODCGRHJRQHKLS-RCCFBDPRSA-N 2 2 349.519 1.868 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992920192 695454436 /nfs/dbraw/zinc/45/44/36/695454436.db2.gz BWITYHJULDWQQY-HYVNUMGLSA-N 2 2 343.431 1.596 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)no1 ZINC000992922187 695455329 /nfs/dbraw/zinc/45/53/29/695455329.db2.gz GSYYHLQVJMTNSI-BHYGNILZSA-N 2 2 343.431 1.596 20 0 EDADLP CCn1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)n1 ZINC000993760097 696352756 /nfs/dbraw/zinc/35/27/56/696352756.db2.gz MEFXSAIBZAYISO-QAPCUYQASA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)n1 ZINC000993760097 696352759 /nfs/dbraw/zinc/35/27/59/696352759.db2.gz MEFXSAIBZAYISO-QAPCUYQASA-N 2 2 347.507 1.714 20 0 EDADLP Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)c1 ZINC000994207249 696581088 /nfs/dbraw/zinc/58/10/88/696581088.db2.gz KGIAWKBEZMQMGY-CRAIPNDOSA-N 2 2 341.459 1.835 20 0 EDADLP Cc1cncc(C[N@@H+]2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)c1 ZINC000994207249 696581091 /nfs/dbraw/zinc/58/10/91/696581091.db2.gz KGIAWKBEZMQMGY-CRAIPNDOSA-N 2 2 341.459 1.835 20 0 EDADLP Cc1cncc(C[N@H+]2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)c1 ZINC000994207254 696581147 /nfs/dbraw/zinc/58/11/47/696581147.db2.gz KGIAWKBEZMQMGY-QAPCUYQASA-N 2 2 341.459 1.835 20 0 EDADLP Cc1cncc(C[N@@H+]2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)c1 ZINC000994207254 696581150 /nfs/dbraw/zinc/58/11/50/696581150.db2.gz KGIAWKBEZMQMGY-QAPCUYQASA-N 2 2 341.459 1.835 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1Cc1ccccn1 ZINC000994209609 696582616 /nfs/dbraw/zinc/58/26/16/696582616.db2.gz NQVCSQNEZWSACQ-WMLDXEAASA-N 2 2 327.432 1.527 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1Cc1ccccn1 ZINC000994209609 696582618 /nfs/dbraw/zinc/58/26/18/696582618.db2.gz NQVCSQNEZWSACQ-WMLDXEAASA-N 2 2 327.432 1.527 20 0 EDADLP Cc1cccc(NCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)[nH+]1 ZINC000916624689 696689552 /nfs/dbraw/zinc/68/95/52/696689552.db2.gz PRUPNMCBCVBSRU-UHFFFAOYSA-N 2 2 335.452 1.212 20 0 EDADLP Cc1cccc(NCCNC(=O)NCC[N@H+]2CCOCC2(C)C)[nH+]1 ZINC000916624689 696689553 /nfs/dbraw/zinc/68/95/53/696689553.db2.gz PRUPNMCBCVBSRU-UHFFFAOYSA-N 2 2 335.452 1.212 20 0 EDADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000994407452 696830983 /nfs/dbraw/zinc/83/09/83/696830983.db2.gz LYYYEZHFHVHCMQ-WMLDXEAASA-N 2 2 334.439 1.786 20 0 EDADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000994407452 696830987 /nfs/dbraw/zinc/83/09/87/696830987.db2.gz LYYYEZHFHVHCMQ-WMLDXEAASA-N 2 2 334.439 1.786 20 0 EDADLP Cc1nnsc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994409257 696831793 /nfs/dbraw/zinc/83/17/93/696831793.db2.gz QJTUTWGLRCHSCN-UONOGXRCSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994409257 696831798 /nfs/dbraw/zinc/83/17/98/696831798.db2.gz QJTUTWGLRCHSCN-UONOGXRCSA-N 2 2 337.493 1.411 20 0 EDADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994488558 696930379 /nfs/dbraw/zinc/93/03/79/696930379.db2.gz RBUFXYBQFRXFGH-WMLDXEAASA-N 2 2 346.475 1.077 20 0 EDADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994488558 696930382 /nfs/dbraw/zinc/93/03/82/696930382.db2.gz RBUFXYBQFRXFGH-WMLDXEAASA-N 2 2 346.475 1.077 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)o1 ZINC000994507651 696946069 /nfs/dbraw/zinc/94/60/69/696946069.db2.gz OEXIVBMNQASVHD-CABCVRRESA-N 2 2 345.447 1.911 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)o1 ZINC000994507651 696946072 /nfs/dbraw/zinc/94/60/72/696946072.db2.gz OEXIVBMNQASVHD-CABCVRRESA-N 2 2 345.447 1.911 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCOc1ccccc1 ZINC000994505729 696949302 /nfs/dbraw/zinc/94/93/02/696949302.db2.gz KIMRVYFWTCLBIW-FUHWJXTLSA-N 2 2 342.443 1.931 20 0 EDADLP Cc1cc(C)n(CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000918699216 697199531 /nfs/dbraw/zinc/19/95/31/697199531.db2.gz DEJGBMHJSZVGSK-UHFFFAOYSA-N 2 2 335.496 1.374 20 0 EDADLP Cc1cc(C)n(CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000918699216 697199532 /nfs/dbraw/zinc/19/95/32/697199532.db2.gz DEJGBMHJSZVGSK-UHFFFAOYSA-N 2 2 335.496 1.374 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000920198716 697409045 /nfs/dbraw/zinc/40/90/45/697409045.db2.gz HRVGOPDJWNJAIH-AEFFLSMTSA-N 2 2 345.491 1.200 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000920198716 697409046 /nfs/dbraw/zinc/40/90/46/697409046.db2.gz HRVGOPDJWNJAIH-AEFFLSMTSA-N 2 2 345.491 1.200 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](C[C@H]4CC[C@H](C)O4)C3)ccn12 ZINC001031670957 697471423 /nfs/dbraw/zinc/47/14/23/697471423.db2.gz NNLCSDULIAELTH-WMLDXEAASA-N 2 2 342.443 1.872 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3cnc(C)cn3)C2)CC[N@@H+]1C ZINC001031686455 697516922 /nfs/dbraw/zinc/51/69/22/697516922.db2.gz PGQDYYABNDDAHI-QILLFSRXSA-N 2 2 345.491 1.624 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3cnc(C)cn3)C2)CC[N@H+]1C ZINC001031686455 697516924 /nfs/dbraw/zinc/51/69/24/697516924.db2.gz PGQDYYABNDDAHI-QILLFSRXSA-N 2 2 345.491 1.624 20 0 EDADLP C[C@H](F)CC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031686674 697517264 /nfs/dbraw/zinc/51/72/64/697517264.db2.gz RYPVCXKLCSTURM-LRDDRELGSA-N 2 2 337.443 1.586 20 0 EDADLP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C1CCC1 ZINC001031744975 698350284 /nfs/dbraw/zinc/35/02/84/698350284.db2.gz ZEHGBFGPJZHMJL-BFYDXBDKSA-N 2 2 332.448 1.376 20 0 EDADLP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C1CCC1 ZINC001031744975 698350286 /nfs/dbraw/zinc/35/02/86/698350286.db2.gz ZEHGBFGPJZHMJL-BFYDXBDKSA-N 2 2 332.448 1.376 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)c(C)n1 ZINC000943767766 698869295 /nfs/dbraw/zinc/86/92/95/698869295.db2.gz YOHVKEJZZATMAL-CXAGYDPISA-N 2 2 341.459 1.991 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)c(C)n1 ZINC000943767766 698869301 /nfs/dbraw/zinc/86/93/01/698869301.db2.gz YOHVKEJZZATMAL-CXAGYDPISA-N 2 2 341.459 1.991 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772697 699123056 /nfs/dbraw/zinc/12/30/56/699123056.db2.gz IPHLGLVSHFBQOF-HNAYVOBHSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031775964 699149838 /nfs/dbraw/zinc/14/98/38/699149838.db2.gz LYNBFIRHHQHLOJ-INIZCTEOSA-N 2 2 342.418 1.833 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031783751 699211330 /nfs/dbraw/zinc/21/13/30/699211330.db2.gz FXPDDAXQTCQRQT-GOSISDBHSA-N 2 2 338.455 1.736 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1C[NH+](CC3CCOCC3)C1)C2 ZINC001031788746 699238471 /nfs/dbraw/zinc/23/84/71/699238471.db2.gz KRNRMYFIUGKEQQ-INIZCTEOSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1C[NH+](CC3CCOCC3)C1)CC2 ZINC001031788746 699238473 /nfs/dbraw/zinc/23/84/73/699238473.db2.gz KRNRMYFIUGKEQQ-INIZCTEOSA-N 2 2 346.475 1.298 20 0 EDADLP CC[C@H](F)C[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941554195 701578828 /nfs/dbraw/zinc/57/88/28/701578828.db2.gz ZITWZQRVNIOHHC-DOTOQJQBSA-N 2 2 342.503 1.149 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)sc1C ZINC000939210749 699358536 /nfs/dbraw/zinc/35/85/36/699358536.db2.gz PGZDKQNDBXVPSL-QMTHXVAHSA-N 2 2 333.461 1.662 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000939213483 699363475 /nfs/dbraw/zinc/36/34/75/699363475.db2.gz DPULPXUQAXUZIQ-PXAZEXFGSA-N 2 2 348.397 1.910 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000939214920 699386613 /nfs/dbraw/zinc/38/66/13/699386613.db2.gz NOIVAEFYYPQXHS-ZBEGNZNMSA-N 2 2 334.370 1.867 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnon2)C1 ZINC000939246707 699416403 /nfs/dbraw/zinc/41/64/03/699416403.db2.gz IQIINOSFGGSDOT-DZGCQCFKSA-N 2 2 346.435 1.416 20 0 EDADLP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1csnn1 ZINC000939259722 699437738 /nfs/dbraw/zinc/43/77/38/699437738.db2.gz VZBUHSWPOCRGHF-IUODEOHRSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H](c1cnccn1)[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031813213 699489858 /nfs/dbraw/zinc/48/98/58/699489858.db2.gz QDHBVLSZYUXDLH-CQSZACIVSA-N 2 2 329.448 1.214 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939395554 699545658 /nfs/dbraw/zinc/54/56/58/699545658.db2.gz ACUUHKYNBRMDNA-GOEBONIOSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939412423 699565806 /nfs/dbraw/zinc/56/58/06/699565806.db2.gz GWHYDVCXOLLVNP-DGCLKSJQSA-N 2 2 333.461 1.396 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939412971 699566293 /nfs/dbraw/zinc/56/62/93/699566293.db2.gz IEWCCIJIYAWDBI-SMDDNHRTSA-N 2 2 334.370 1.867 20 0 EDADLP CC(C)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000939465247 699598541 /nfs/dbraw/zinc/59/85/41/699598541.db2.gz YCZWOWFSNMJHMG-WMLDXEAASA-N 2 2 327.432 1.973 20 0 EDADLP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)c1 ZINC000939621478 699757859 /nfs/dbraw/zinc/75/78/59/699757859.db2.gz ADYVUNILNSUCMI-SJKOYZFVSA-N 2 2 343.431 1.301 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939621748 699758091 /nfs/dbraw/zinc/75/80/91/699758091.db2.gz CYBLKZCAIDYNQP-SWLSCSKDSA-N 2 2 330.436 1.114 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCC2CCOCC2)[C@@H](C)C1 ZINC000939627596 699765339 /nfs/dbraw/zinc/76/53/39/699765339.db2.gz UEVACJGXFTVYJD-GUYCJALGSA-N 2 2 334.464 1.514 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cscn1 ZINC000939641198 699770702 /nfs/dbraw/zinc/77/07/02/699770702.db2.gz CMJJYUVRKQFHAR-WFASDCNBSA-N 2 2 333.461 1.446 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)s1 ZINC000939641534 699771072 /nfs/dbraw/zinc/77/10/72/699771072.db2.gz FOXBBWKSKPSISI-WFASDCNBSA-N 2 2 347.488 1.754 20 0 EDADLP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000940182504 700339928 /nfs/dbraw/zinc/33/99/28/700339928.db2.gz JHQSAYKLCHWLTF-HOTGVXAUSA-N 2 2 346.475 1.453 20 0 EDADLP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC000940214645 700354747 /nfs/dbraw/zinc/35/47/47/700354747.db2.gz TTWISEJFKNUMNI-UHFFFAOYSA-N 2 2 345.447 1.913 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940371047 700553429 /nfs/dbraw/zinc/55/34/29/700553429.db2.gz IKQWUOSKCOJXSI-CABCVRRESA-N 2 2 334.464 1.596 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940371047 700553432 /nfs/dbraw/zinc/55/34/32/700553432.db2.gz IKQWUOSKCOJXSI-CABCVRRESA-N 2 2 334.464 1.596 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001031967971 701656072 /nfs/dbraw/zinc/65/60/72/701656072.db2.gz KEPQOJWVPJHKJJ-ZBFHGGJFSA-N 2 2 346.475 1.694 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941001905 701035406 /nfs/dbraw/zinc/03/54/06/701035406.db2.gz BTGYGDSCLPCFFW-HNNXBMFYSA-N 2 2 335.452 1.128 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941001905 701035408 /nfs/dbraw/zinc/03/54/08/701035408.db2.gz BTGYGDSCLPCFFW-HNNXBMFYSA-N 2 2 335.452 1.128 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cs1 ZINC000995114405 701042882 /nfs/dbraw/zinc/04/28/82/701042882.db2.gz HZRIBPKMWWJRHW-CHWSQXEVSA-N 2 2 333.461 1.792 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941023025 701063195 /nfs/dbraw/zinc/06/31/95/701063195.db2.gz ZNDFFEWKZUAPGO-DZGCQCFKSA-N 2 2 334.464 1.693 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941023025 701063196 /nfs/dbraw/zinc/06/31/96/701063196.db2.gz ZNDFFEWKZUAPGO-DZGCQCFKSA-N 2 2 334.464 1.693 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnn(C)n2)CC1(C)C ZINC000941033960 701076971 /nfs/dbraw/zinc/07/69/71/701076971.db2.gz YPZXMGBBIWKNGC-HOCLYGCPSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnn(C)n2)CC1(C)C ZINC000941033960 701076973 /nfs/dbraw/zinc/07/69/73/701076973.db2.gz YPZXMGBBIWKNGC-HOCLYGCPSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)n2)CC1(C)C ZINC000941033960 701076976 /nfs/dbraw/zinc/07/69/76/701076976.db2.gz YPZXMGBBIWKNGC-HOCLYGCPSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)n2)CC1(C)C ZINC000941033960 701076978 /nfs/dbraw/zinc/07/69/78/701076978.db2.gz YPZXMGBBIWKNGC-HOCLYGCPSA-N 2 2 348.495 1.016 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1)C1CCC1 ZINC000941060935 701107876 /nfs/dbraw/zinc/10/78/76/701107876.db2.gz JEAZZINOXTWPKC-DLBZAZTESA-N 2 2 348.491 1.984 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1)C1CCC1 ZINC000941060935 701107877 /nfs/dbraw/zinc/10/78/77/701107877.db2.gz JEAZZINOXTWPKC-DLBZAZTESA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)C[N@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061958 701109436 /nfs/dbraw/zinc/10/94/36/701109436.db2.gz SVUHTUKPABGURN-HNNXBMFYSA-N 2 2 347.488 1.868 20 0 EDADLP CC1(C)C[N@@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061958 701109439 /nfs/dbraw/zinc/10/94/39/701109439.db2.gz SVUHTUKPABGURN-HNNXBMFYSA-N 2 2 347.488 1.868 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)o1 ZINC000945806354 701196250 /nfs/dbraw/zinc/19/62/50/701196250.db2.gz CXNZRQGTMTWZFA-DOMZBBRYSA-N 2 2 331.420 1.515 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)n1 ZINC000945806557 701196786 /nfs/dbraw/zinc/19/67/86/701196786.db2.gz FEUPGMDRWWGBAQ-HOCLYGCPSA-N 2 2 343.431 1.314 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)n1 ZINC000945806557 701196787 /nfs/dbraw/zinc/19/67/87/701196787.db2.gz FEUPGMDRWWGBAQ-HOCLYGCPSA-N 2 2 343.431 1.314 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945807455 701198255 /nfs/dbraw/zinc/19/82/55/701198255.db2.gz JTLPPCKMHVICHN-HIFRSBDPSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945807455 701198256 /nfs/dbraw/zinc/19/82/56/701198256.db2.gz JTLPPCKMHVICHN-HIFRSBDPSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cs1 ZINC000945810442 701203333 /nfs/dbraw/zinc/20/33/33/701203333.db2.gz XXEKYTDIOOUHIE-BBRMVZONSA-N 2 2 347.488 1.717 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cs1 ZINC000945810442 701203336 /nfs/dbraw/zinc/20/33/36/701203336.db2.gz XXEKYTDIOOUHIE-BBRMVZONSA-N 2 2 347.488 1.717 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810875 701204029 /nfs/dbraw/zinc/20/40/29/701204029.db2.gz YEBAHSKOHNRFHF-MAUKXSAKSA-N 2 2 342.443 1.402 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810875 701204031 /nfs/dbraw/zinc/20/40/31/701204031.db2.gz YEBAHSKOHNRFHF-MAUKXSAKSA-N 2 2 342.443 1.402 20 0 EDADLP Cc1cccnc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945810891 701204348 /nfs/dbraw/zinc/20/43/48/701204348.db2.gz YPJVDKNEAMQOIJ-HOTGVXAUSA-N 2 2 327.432 1.613 20 0 EDADLP Cc1cccnc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945810891 701204349 /nfs/dbraw/zinc/20/43/49/701204349.db2.gz YPJVDKNEAMQOIJ-HOTGVXAUSA-N 2 2 327.432 1.613 20 0 EDADLP CC1(C)C[N@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941131223 701209065 /nfs/dbraw/zinc/20/90/65/701209065.db2.gz XVGSJRFDSXXAOS-CQSZACIVSA-N 2 2 347.488 1.868 20 0 EDADLP CC1(C)C[N@@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941131223 701209066 /nfs/dbraw/zinc/20/90/66/701209066.db2.gz XVGSJRFDSXXAOS-CQSZACIVSA-N 2 2 347.488 1.868 20 0 EDADLP CCS(=O)(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182950505 701376323 /nfs/dbraw/zinc/37/63/23/701376323.db2.gz KDXQRUAJQWZCOT-UHFFFAOYSA-N 2 2 332.510 1.246 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000941186760 701391369 /nfs/dbraw/zinc/39/13/69/701391369.db2.gz QMZQOGQJRAHMSV-INIZCTEOSA-N 2 2 344.463 1.374 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000941186760 701391370 /nfs/dbraw/zinc/39/13/70/701391370.db2.gz QMZQOGQJRAHMSV-INIZCTEOSA-N 2 2 344.463 1.374 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C/C=C/Cl)CC2(C)C)C1 ZINC000941230728 701404631 /nfs/dbraw/zinc/40/46/31/701404631.db2.gz JTNFIGVSKUQHSL-SJKUQHEZSA-N 2 2 343.899 1.676 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C/C=C/Cl)CC2(C)C)C1 ZINC000941230728 701404632 /nfs/dbraw/zinc/40/46/32/701404632.db2.gz JTNFIGVSKUQHSL-SJKUQHEZSA-N 2 2 343.899 1.676 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C/C=C/Cl)CC2(C)C)C1 ZINC000941230728 701404633 /nfs/dbraw/zinc/40/46/33/701404633.db2.gz JTNFIGVSKUQHSL-SJKUQHEZSA-N 2 2 343.899 1.676 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C/C=C/Cl)CC2(C)C)C1 ZINC000941230728 701404634 /nfs/dbraw/zinc/40/46/34/701404634.db2.gz JTNFIGVSKUQHSL-SJKUQHEZSA-N 2 2 343.899 1.676 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cscn3)CC2(C)C)C1 ZINC000941221221 701411755 /nfs/dbraw/zinc/41/17/55/701411755.db2.gz NRFKYTISRUOTDL-HIFRSBDPSA-N 2 2 336.505 1.812 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cscn3)CC2(C)C)C1 ZINC000941221221 701411756 /nfs/dbraw/zinc/41/17/56/701411756.db2.gz NRFKYTISRUOTDL-HIFRSBDPSA-N 2 2 336.505 1.812 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cscn3)CC2(C)C)C1 ZINC000941221221 701411757 /nfs/dbraw/zinc/41/17/57/701411757.db2.gz NRFKYTISRUOTDL-HIFRSBDPSA-N 2 2 336.505 1.812 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)CC2(C)C)C1 ZINC000941221221 701411759 /nfs/dbraw/zinc/41/17/59/701411759.db2.gz NRFKYTISRUOTDL-HIFRSBDPSA-N 2 2 336.505 1.812 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221333 701412177 /nfs/dbraw/zinc/41/21/77/701412177.db2.gz QUCDUSOFYSFWCI-MRXNPFEDSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221333 701412179 /nfs/dbraw/zinc/41/21/79/701412179.db2.gz QUCDUSOFYSFWCI-MRXNPFEDSA-N 2 2 348.495 1.111 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)C2)o1 ZINC000941224505 701414534 /nfs/dbraw/zinc/41/45/34/701414534.db2.gz WILAJUQSKDZGLB-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995727812 701764354 /nfs/dbraw/zinc/76/43/54/701764354.db2.gz FDAAHJTUTLANLS-HNNXBMFYSA-N 2 2 345.447 1.974 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995727815 701764577 /nfs/dbraw/zinc/76/45/77/701764577.db2.gz FDAAHJTUTLANLS-OAHLLOKOSA-N 2 2 345.447 1.974 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3csc(C)c3)C2)C1 ZINC001032200400 701844577 /nfs/dbraw/zinc/84/45/77/701844577.db2.gz TVALBJGZJZHOOE-MRXNPFEDSA-N 2 2 337.489 1.325 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3csc(C)c3)C2)C1 ZINC001032200400 701844583 /nfs/dbraw/zinc/84/45/83/701844583.db2.gz TVALBJGZJZHOOE-MRXNPFEDSA-N 2 2 337.489 1.325 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)o1 ZINC000995743236 701945325 /nfs/dbraw/zinc/94/53/25/701945325.db2.gz DDTMKPCSBJCVBI-AWEZNQCLSA-N 2 2 331.420 1.666 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCCF)C1([NH+]2CCOCC2)CCCC1 ZINC001032658342 706629939 /nfs/dbraw/zinc/62/99/39/706629939.db2.gz GNYRYOJCMVWHTE-HOTGVXAUSA-N 2 2 339.455 1.276 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF)C1([NH+]2CCOCC2)CCCC1 ZINC001032658342 706629941 /nfs/dbraw/zinc/62/99/41/706629941.db2.gz GNYRYOJCMVWHTE-HOTGVXAUSA-N 2 2 339.455 1.276 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031978076 701987283 /nfs/dbraw/zinc/98/72/83/701987283.db2.gz NQLHJRWLPPXCQS-ZFWWWQNUSA-N 2 2 342.443 1.574 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031978076 701987290 /nfs/dbraw/zinc/98/72/90/701987290.db2.gz NQLHJRWLPPXCQS-ZFWWWQNUSA-N 2 2 342.443 1.574 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995899260 702203850 /nfs/dbraw/zinc/20/38/50/702203850.db2.gz VWYGHHRIEWXQQZ-UKRRQHHQSA-N 2 2 335.452 1.045 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995188415 702215607 /nfs/dbraw/zinc/21/56/07/702215607.db2.gz WCCJEOFKNSMLCK-OLZOCXBDSA-N 2 2 348.476 1.495 20 0 EDADLP Cc1nonc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995188846 702224356 /nfs/dbraw/zinc/22/43/56/702224356.db2.gz XRLVGXSTBZEMJX-OLZOCXBDSA-N 2 2 332.408 1.027 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)CC2(C)C)n1 ZINC000995954935 702319155 /nfs/dbraw/zinc/31/91/55/702319155.db2.gz YRMVVVQBLGTYCD-OLZOCXBDSA-N 2 2 337.468 1.299 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995982848 702342477 /nfs/dbraw/zinc/34/24/77/702342477.db2.gz QEKIHHATTJIHLI-KBPBESRZSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)o1 ZINC000995982848 702342483 /nfs/dbraw/zinc/34/24/83/702342483.db2.gz QEKIHHATTJIHLI-KBPBESRZSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2cnc(C)o2)C(C)(C)C1 ZINC000996044638 702438424 /nfs/dbraw/zinc/43/84/24/702438424.db2.gz UOIKJMNLZCXLGE-HNNXBMFYSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCCO)C[C@H]3C)ccn12 ZINC000942053786 702478463 /nfs/dbraw/zinc/47/84/63/702478463.db2.gz UFGVAANCIVJILC-CZUORRHYSA-N 2 2 330.432 1.465 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCCO)C[C@H]3C)ccn12 ZINC000942053786 702478470 /nfs/dbraw/zinc/47/84/70/702478470.db2.gz UFGVAANCIVJILC-CZUORRHYSA-N 2 2 330.432 1.465 20 0 EDADLP C[C@H](O)C[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000996090380 702500079 /nfs/dbraw/zinc/50/00/79/702500079.db2.gz HLXJOVCWIPYFKW-YOEHRIQHSA-N 2 2 342.443 1.693 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)n1 ZINC000996354893 702732452 /nfs/dbraw/zinc/73/24/52/702732452.db2.gz IWWUQKNOBIVUSR-MRXNPFEDSA-N 2 2 344.463 1.756 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)C1 ZINC000996456130 702800859 /nfs/dbraw/zinc/80/08/59/702800859.db2.gz IIFFCHVIVWKKKO-KBPBESRZSA-N 2 2 334.464 1.594 20 0 EDADLP C[C@H]([NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C)c1csnn1 ZINC000996521276 702856862 /nfs/dbraw/zinc/85/68/62/702856862.db2.gz RFDSKZMOYASFOQ-JSGCOSHPSA-N 2 2 349.504 1.522 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996570807 702883232 /nfs/dbraw/zinc/88/32/32/702883232.db2.gz YJTKGADPOQYISF-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996613520 702918788 /nfs/dbraw/zinc/91/87/88/702918788.db2.gz VBAMEVWMUJYUBA-ZDUSSCGKSA-N 2 2 335.452 1.054 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3nnc(C4CC4)o3)C(C)(C)C2)C1 ZINC000996610126 702921030 /nfs/dbraw/zinc/92/10/30/702921030.db2.gz JWYMUXJMHGFHGS-KBPBESRZSA-N 2 2 347.463 1.225 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3nnc(C4CC4)o3)C(C)(C)C2)C1 ZINC000996610126 702921032 /nfs/dbraw/zinc/92/10/32/702921032.db2.gz JWYMUXJMHGFHGS-KBPBESRZSA-N 2 2 347.463 1.225 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)n1 ZINC000996665259 702967790 /nfs/dbraw/zinc/96/77/90/702967790.db2.gz ARPICZDUCCTRCB-HNNXBMFYSA-N 2 2 349.479 1.581 20 0 EDADLP Cc1ccc(OCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001032315118 702973724 /nfs/dbraw/zinc/97/37/24/702973724.db2.gz AWWYHNRSUVFADW-JENIJYKNSA-N 2 2 343.471 1.753 20 0 EDADLP Cc1ccc(OCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001032315118 702973725 /nfs/dbraw/zinc/97/37/25/702973725.db2.gz AWWYHNRSUVFADW-JENIJYKNSA-N 2 2 343.471 1.753 20 0 EDADLP Cc1ccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001032315118 702973727 /nfs/dbraw/zinc/97/37/27/702973727.db2.gz AWWYHNRSUVFADW-JENIJYKNSA-N 2 2 343.471 1.753 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996686145 702974656 /nfs/dbraw/zinc/97/46/56/702974656.db2.gz UGGZRZJTJOYXSG-ZIAGYGMSSA-N 2 2 331.445 1.751 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996686145 702974657 /nfs/dbraw/zinc/97/46/57/702974657.db2.gz UGGZRZJTJOYXSG-ZIAGYGMSSA-N 2 2 331.445 1.751 20 0 EDADLP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC000996686663 702993264 /nfs/dbraw/zinc/99/32/64/702993264.db2.gz ZJQFKJLOPKPNGC-HZPDHXFCSA-N 2 2 342.447 1.510 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]Cc3nc(C)no3)CC2)c[nH+]1 ZINC000996718483 703012115 /nfs/dbraw/zinc/01/21/15/703012115.db2.gz UCOYHERRQWGNAK-UHFFFAOYSA-N 2 2 346.435 1.399 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555243 703069023 /nfs/dbraw/zinc/06/90/23/703069023.db2.gz HDKBCLAPXIOKHZ-GDBMZVCRSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555243 703069025 /nfs/dbraw/zinc/06/90/25/703069025.db2.gz HDKBCLAPXIOKHZ-GDBMZVCRSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032331439 703108677 /nfs/dbraw/zinc/10/86/77/703108677.db2.gz CXUMZXMSANAICH-OKZBNKHCSA-N 2 2 329.444 1.111 20 0 EDADLP Cc1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032331439 703108679 /nfs/dbraw/zinc/10/86/79/703108679.db2.gz CXUMZXMSANAICH-OKZBNKHCSA-N 2 2 329.444 1.111 20 0 EDADLP Cc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331439 703108681 /nfs/dbraw/zinc/10/86/81/703108681.db2.gz CXUMZXMSANAICH-OKZBNKHCSA-N 2 2 329.444 1.111 20 0 EDADLP Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331439 703108683 /nfs/dbraw/zinc/10/86/83/703108683.db2.gz CXUMZXMSANAICH-OKZBNKHCSA-N 2 2 329.444 1.111 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)ncn1 ZINC000996860661 703143918 /nfs/dbraw/zinc/14/39/18/703143918.db2.gz TVQSOZACOJYGJA-UHFFFAOYSA-N 2 2 328.420 1.152 20 0 EDADLP CC(C)C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000996866577 703148328 /nfs/dbraw/zinc/14/83/28/703148328.db2.gz YJZLEPSDXFPFRY-SFHVURJKSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000996866577 703148329 /nfs/dbraw/zinc/14/83/29/703148329.db2.gz YJZLEPSDXFPFRY-SFHVURJKSA-N 2 2 337.508 1.724 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996994581 703251452 /nfs/dbraw/zinc/25/14/52/703251452.db2.gz IBIQCSIYFPCDRW-AWEZNQCLSA-N 2 2 340.431 1.400 20 0 EDADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000996999778 703256899 /nfs/dbraw/zinc/25/68/99/703256899.db2.gz SOXODQVGWIELET-CRAIPNDOSA-N 2 2 346.475 1.129 20 0 EDADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000996999778 703256900 /nfs/dbraw/zinc/25/69/00/703256900.db2.gz SOXODQVGWIELET-CRAIPNDOSA-N 2 2 346.475 1.129 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)[nH]1 ZINC000997045229 703294138 /nfs/dbraw/zinc/29/41/38/703294138.db2.gz JWIIHBILYHRHDE-LBPRGKRZSA-N 2 2 331.424 1.042 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)co1 ZINC000997046548 703295322 /nfs/dbraw/zinc/29/53/22/703295322.db2.gz QEXOMCQORLCJFP-CYBMUJFWSA-N 2 2 331.420 1.911 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000997055038 703307282 /nfs/dbraw/zinc/30/72/82/703307282.db2.gz SQQQXVOYYPHJIP-UHFFFAOYSA-N 2 2 339.399 1.874 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997083038 703321586 /nfs/dbraw/zinc/32/15/86/703321586.db2.gz GQGSVDKTDHYORX-YOEHRIQHSA-N 2 2 348.491 1.984 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997083038 703321589 /nfs/dbraw/zinc/32/15/89/703321589.db2.gz GQGSVDKTDHYORX-YOEHRIQHSA-N 2 2 348.491 1.984 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997085892 703331522 /nfs/dbraw/zinc/33/15/22/703331522.db2.gz RYGZEBAEPDZWBS-PBHICJAKSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997085892 703331525 /nfs/dbraw/zinc/33/15/25/703331525.db2.gz RYGZEBAEPDZWBS-PBHICJAKSA-N 2 2 334.464 1.738 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1)C1CCCC1 ZINC001032378365 703345040 /nfs/dbraw/zinc/34/50/40/703345040.db2.gz APXGVZGKFSFYST-ULQDDVLXSA-N 2 2 346.475 1.833 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1)C1CCCC1 ZINC001032378365 703345043 /nfs/dbraw/zinc/34/50/43/703345043.db2.gz APXGVZGKFSFYST-ULQDDVLXSA-N 2 2 346.475 1.833 20 0 EDADLP Cc1nn(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1Cl ZINC000921522377 703357769 /nfs/dbraw/zinc/35/77/69/703357769.db2.gz SBRUWMYAGWNKNZ-UHFFFAOYSA-N 2 2 348.882 1.819 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001032402380 703419251 /nfs/dbraw/zinc/41/92/51/703419251.db2.gz BMICIYWDMHMEGM-BPUTZDHNSA-N 2 2 328.416 1.576 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001032402380 703419253 /nfs/dbraw/zinc/41/92/53/703419253.db2.gz BMICIYWDMHMEGM-BPUTZDHNSA-N 2 2 328.416 1.576 20 0 EDADLP CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407644 703433144 /nfs/dbraw/zinc/43/31/44/703433144.db2.gz LZGKTCZYHXDIFI-ULQDDVLXSA-N 2 2 344.459 1.364 20 0 EDADLP CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407644 703433145 /nfs/dbraw/zinc/43/31/45/703433145.db2.gz LZGKTCZYHXDIFI-ULQDDVLXSA-N 2 2 344.459 1.364 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000997178104 703464691 /nfs/dbraw/zinc/46/46/91/703464691.db2.gz BZXHJEXQJBYYNP-SFHVURJKSA-N 2 2 348.491 1.484 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)oc1C ZINC000997179865 703469960 /nfs/dbraw/zinc/46/99/60/703469960.db2.gz KVJNGOYWNIGCQL-UHFFFAOYSA-N 2 2 331.420 1.348 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997180815 703471186 /nfs/dbraw/zinc/47/11/86/703471186.db2.gz NUVWJXATAIHJNT-CZUORRHYSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997180815 703471189 /nfs/dbraw/zinc/47/11/89/703471189.db2.gz NUVWJXATAIHJNT-CZUORRHYSA-N 2 2 335.452 1.271 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000997221033 703499183 /nfs/dbraw/zinc/49/91/83/703499183.db2.gz ITZIFISOAIWTAI-UHFFFAOYSA-N 2 2 331.420 1.646 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)O1 ZINC000997237918 703524532 /nfs/dbraw/zinc/52/45/32/703524532.db2.gz RFGYIVRJACJEND-RHSMWYFYSA-N 2 2 334.464 1.501 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)o1 ZINC000997237964 703524763 /nfs/dbraw/zinc/52/47/63/703524763.db2.gz SBUPEZPIZDVSBT-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1 ZINC001032437704 703606378 /nfs/dbraw/zinc/60/63/78/703606378.db2.gz NPSXERIWQVZYIC-ROUUACIJSA-N 2 2 346.475 1.834 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1 ZINC001032437704 703606379 /nfs/dbraw/zinc/60/63/79/703606379.db2.gz NPSXERIWQVZYIC-ROUUACIJSA-N 2 2 346.475 1.834 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032444778 703622294 /nfs/dbraw/zinc/62/22/94/703622294.db2.gz MLKMVQQOCUDTDX-ULQDDVLXSA-N 2 2 345.491 1.468 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032444778 703622295 /nfs/dbraw/zinc/62/22/95/703622295.db2.gz MLKMVQQOCUDTDX-ULQDDVLXSA-N 2 2 345.491 1.468 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(F)(F)C2)O1 ZINC001032473264 703687576 /nfs/dbraw/zinc/68/75/76/703687576.db2.gz IECOTUBYSCJXPY-UQOMUDLDSA-N 2 2 343.418 1.036 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(F)(F)C2)O1 ZINC001032473264 703687578 /nfs/dbraw/zinc/68/75/78/703687578.db2.gz IECOTUBYSCJXPY-UQOMUDLDSA-N 2 2 343.418 1.036 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(F)(F)C2)O1 ZINC001032473264 703687579 /nfs/dbraw/zinc/68/75/79/703687579.db2.gz IECOTUBYSCJXPY-UQOMUDLDSA-N 2 2 343.418 1.036 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC(F)(F)C2)O1 ZINC001032473264 703687581 /nfs/dbraw/zinc/68/75/81/703687581.db2.gz IECOTUBYSCJXPY-UQOMUDLDSA-N 2 2 343.418 1.036 20 0 EDADLP O=C(CC[NH2+]Cc1cc[nH]c(=O)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000921635248 703790568 /nfs/dbraw/zinc/79/05/68/703790568.db2.gz ZPHTYMJCCICGLJ-UHFFFAOYSA-N 2 2 341.415 1.011 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C)n2)CC1 ZINC001004210672 703957452 /nfs/dbraw/zinc/95/74/52/703957452.db2.gz YPPVBLWCHIKPPR-QGZVFWFLSA-N 2 2 334.464 1.938 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C)n2)CC1 ZINC001004210672 703957454 /nfs/dbraw/zinc/95/74/54/703957454.db2.gz YPPVBLWCHIKPPR-QGZVFWFLSA-N 2 2 334.464 1.938 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC001004256401 704083565 /nfs/dbraw/zinc/08/35/65/704083565.db2.gz GCGVKQZBYSJJOR-SFHVURJKSA-N 2 2 342.443 1.067 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922666046 704202197 /nfs/dbraw/zinc/20/21/97/704202197.db2.gz CSTFPSFGZLFQCZ-MJGOQNOKSA-N 2 2 342.443 1.587 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922666046 704202199 /nfs/dbraw/zinc/20/21/99/704202199.db2.gz CSTFPSFGZLFQCZ-MJGOQNOKSA-N 2 2 342.443 1.587 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NCCCC[N@H+](C)C2CC2)n1 ZINC000922808524 704384205 /nfs/dbraw/zinc/38/42/05/704384205.db2.gz BTVBCCIVGQBDLO-UHFFFAOYSA-N 2 2 339.509 1.878 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NCCCC[N@@H+](C)C2CC2)n1 ZINC000922808524 704384207 /nfs/dbraw/zinc/38/42/07/704384207.db2.gz BTVBCCIVGQBDLO-UHFFFAOYSA-N 2 2 339.509 1.878 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1 ZINC000922820839 704396671 /nfs/dbraw/zinc/39/66/71/704396671.db2.gz GEVJQHXARSNZMV-INIZCTEOSA-N 2 2 349.479 1.247 20 0 EDADLP CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000997696380 704577662 /nfs/dbraw/zinc/57/76/62/704577662.db2.gz JMQCRDDAUNXYJA-YJBOKZPZSA-N 2 2 337.508 1.724 20 0 EDADLP CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000997696380 704577663 /nfs/dbraw/zinc/57/76/63/704577663.db2.gz JMQCRDDAUNXYJA-YJBOKZPZSA-N 2 2 337.508 1.724 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997739488 704637416 /nfs/dbraw/zinc/63/74/16/704637416.db2.gz WCGIVXDSMWFIEA-INIZCTEOSA-N 2 2 334.464 1.597 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032545019 704648896 /nfs/dbraw/zinc/64/88/96/704648896.db2.gz VFYJDUNCJKBZRE-JLSDUUJJSA-N 2 2 340.427 1.806 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032545019 704648898 /nfs/dbraw/zinc/64/88/98/704648898.db2.gz VFYJDUNCJKBZRE-JLSDUUJJSA-N 2 2 340.427 1.806 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1C ZINC000944964309 704831606 /nfs/dbraw/zinc/83/16/06/704831606.db2.gz IGDWSBLLPSCVAK-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cncs2)C[C@@H]1C ZINC000944964309 704831611 /nfs/dbraw/zinc/83/16/11/704831611.db2.gz IGDWSBLLPSCVAK-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO[C@H]1CC1(F)F ZINC001032573355 704949557 /nfs/dbraw/zinc/94/95/57/704949557.db2.gz HELQQCPOEGRBQY-AJNGGQMLSA-N 2 2 343.418 1.180 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO[C@H]1CC1(F)F ZINC001032573355 704949560 /nfs/dbraw/zinc/94/95/60/704949560.db2.gz HELQQCPOEGRBQY-AJNGGQMLSA-N 2 2 343.418 1.180 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO[C@H]1CC1(F)F ZINC001032573355 704949563 /nfs/dbraw/zinc/94/95/63/704949563.db2.gz HELQQCPOEGRBQY-AJNGGQMLSA-N 2 2 343.418 1.180 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO[C@H]1CC1(F)F ZINC001032573355 704949565 /nfs/dbraw/zinc/94/95/65/704949565.db2.gz HELQQCPOEGRBQY-AJNGGQMLSA-N 2 2 343.418 1.180 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC(C[NH2+][C@H]3CCNC3=O)CC2)c(C)[nH+]1 ZINC000997931737 705028640 /nfs/dbraw/zinc/02/86/40/705028640.db2.gz SWEPFTPXILGKHQ-INIZCTEOSA-N 2 2 344.459 1.337 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)CC1 ZINC000997948163 705069756 /nfs/dbraw/zinc/06/97/56/705069756.db2.gz GSJDZEYHLVHJRC-CVEARBPZSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)CC1 ZINC000997948163 705069759 /nfs/dbraw/zinc/06/97/59/705069759.db2.gz GSJDZEYHLVHJRC-CVEARBPZSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000997948163 705069763 /nfs/dbraw/zinc/06/97/63/705069763.db2.gz GSJDZEYHLVHJRC-CVEARBPZSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000997948163 705069769 /nfs/dbraw/zinc/06/97/69/705069769.db2.gz GSJDZEYHLVHJRC-CVEARBPZSA-N 2 2 348.495 1.410 20 0 EDADLP Cn1ccnc1C[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000998221616 705547449 /nfs/dbraw/zinc/54/74/49/705547449.db2.gz FCVNPWVWVSFTJD-UHFFFAOYSA-N 2 2 344.463 1.449 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000998298431 705701749 /nfs/dbraw/zinc/70/17/49/705701749.db2.gz XXIYRAQHOGHDJJ-GFCCVEGCSA-N 2 2 332.408 1.164 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032626984 705733224 /nfs/dbraw/zinc/73/32/24/705733224.db2.gz PVIHGHDNQTUOIJ-BPUTZDHNSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032626984 705733228 /nfs/dbraw/zinc/73/32/28/705733228.db2.gz PVIHGHDNQTUOIJ-BPUTZDHNSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1onc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001032626984 705733230 /nfs/dbraw/zinc/73/32/30/705733230.db2.gz PVIHGHDNQTUOIJ-BPUTZDHNSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1onc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001032626984 705733233 /nfs/dbraw/zinc/73/32/33/705733233.db2.gz PVIHGHDNQTUOIJ-BPUTZDHNSA-N 2 2 346.475 1.815 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]Cc2ccns2)C1 ZINC000998940136 706361721 /nfs/dbraw/zinc/36/17/21/706361721.db2.gz SVNKCIGCPRHKEC-GVOSGWPFSA-N 2 2 331.445 1.749 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)no1 ZINC000998995469 706413457 /nfs/dbraw/zinc/41/34/57/706413457.db2.gz SXSMYNJRMUTUCD-NRXISQOPSA-N 2 2 349.479 1.756 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)no1 ZINC000998995469 706413459 /nfs/dbraw/zinc/41/34/59/706413459.db2.gz SXSMYNJRMUTUCD-NRXISQOPSA-N 2 2 349.479 1.756 20 0 EDADLP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999006877 706426410 /nfs/dbraw/zinc/42/64/10/706426410.db2.gz HRIPDMVCBVBCCC-KTAKPFMOSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)n1 ZINC000999345800 706857462 /nfs/dbraw/zinc/85/74/62/706857462.db2.gz BACCXWPGHFNUSG-HOTGVXAUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)n1 ZINC000999345800 706857464 /nfs/dbraw/zinc/85/74/64/706857464.db2.gz BACCXWPGHFNUSG-HOTGVXAUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)n1 ZINC000999345796 706857569 /nfs/dbraw/zinc/85/75/69/706857569.db2.gz BACCXWPGHFNUSG-CVEARBPZSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)n1 ZINC000999345796 706857572 /nfs/dbraw/zinc/85/75/72/706857572.db2.gz BACCXWPGHFNUSG-CVEARBPZSA-N 2 2 349.479 1.437 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2nncs2)C1 ZINC000999374962 706869307 /nfs/dbraw/zinc/86/93/07/706869307.db2.gz SOVBYFOBIFRXHV-STQMWFEESA-N 2 2 346.460 1.393 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC000999366413 706880505 /nfs/dbraw/zinc/88/05/05/706880505.db2.gz YGHISLGKUWWWID-TZMCWYRMSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC000999366413 706880508 /nfs/dbraw/zinc/88/05/08/706880508.db2.gz YGHISLGKUWWWID-TZMCWYRMSA-N 2 2 335.452 1.504 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999369982 706883961 /nfs/dbraw/zinc/88/39/61/706883961.db2.gz KVJVGSFXZNSRTN-GXTWGEPZSA-N 2 2 346.460 1.393 20 0 EDADLP Cc1nc(CC[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cs1 ZINC000999468696 706977839 /nfs/dbraw/zinc/97/78/39/706977839.db2.gz HZLOCWCHUPDGQA-UHFFFAOYSA-N 2 2 333.461 1.539 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)C)o2)C1)[NH+](C)C ZINC000999493342 707029846 /nfs/dbraw/zinc/02/98/46/707029846.db2.gz DPMBJRCOJNVFLI-UONOGXRCSA-N 2 2 337.468 1.614 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999537026 707037645 /nfs/dbraw/zinc/03/76/45/707037645.db2.gz QZONJOSSLSXLPC-STQMWFEESA-N 2 2 346.460 1.078 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000999537742 707038235 /nfs/dbraw/zinc/03/82/35/707038235.db2.gz UEPVFHDBMBQLSD-ZIAGYGMSSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000999551739 707050792 /nfs/dbraw/zinc/05/07/92/707050792.db2.gz ZTZKDFDKSPVMBF-UONOGXRCSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999714447 707252329 /nfs/dbraw/zinc/25/23/29/707252329.db2.gz QDIIEEQZRMOGFB-HNNXBMFYSA-N 2 2 330.436 1.014 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999773777 707332717 /nfs/dbraw/zinc/33/27/17/707332717.db2.gz CVIIGZDCKCISPW-AWEZNQCLSA-N 2 2 347.488 1.633 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC001033181721 707343830 /nfs/dbraw/zinc/34/38/30/707343830.db2.gz JVPMBUYRAXMBDG-INIZCTEOSA-N 2 2 346.475 1.892 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC001033181721 707343835 /nfs/dbraw/zinc/34/38/35/707343835.db2.gz JVPMBUYRAXMBDG-INIZCTEOSA-N 2 2 346.475 1.892 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000999842292 707415871 /nfs/dbraw/zinc/41/58/71/707415871.db2.gz OWUHRCWDHXVTMD-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2CC1 ZINC000946800576 707452081 /nfs/dbraw/zinc/45/20/81/707452081.db2.gz FOCHQOVKLAWQEF-SOLBZPMBSA-N 2 2 346.475 1.692 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2CC1 ZINC000946800576 707452086 /nfs/dbraw/zinc/45/20/86/707452086.db2.gz FOCHQOVKLAWQEF-SOLBZPMBSA-N 2 2 346.475 1.692 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2nc(C(C)C)no2)C1 ZINC000999835158 707468471 /nfs/dbraw/zinc/46/84/71/707468471.db2.gz FTQPALPLIGMBOK-UHFFFAOYSA-N 2 2 346.435 1.477 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999835293 707469259 /nfs/dbraw/zinc/46/92/59/707469259.db2.gz HSJYLUCLCYVLEO-AWEZNQCLSA-N 2 2 326.391 1.899 20 0 EDADLP CCc1cnc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000999837124 707473527 /nfs/dbraw/zinc/47/35/27/707473527.db2.gz OADXZRHZFQQUCR-UHFFFAOYSA-N 2 2 331.420 1.521 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)s1 ZINC000999914343 707556665 /nfs/dbraw/zinc/55/66/65/707556665.db2.gz AUDXRMZHXJRTDF-PKSQDBQZSA-N 2 2 334.449 1.383 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815692 707565027 /nfs/dbraw/zinc/56/50/27/707565027.db2.gz KOJIRMFAIABUOO-TWMKSMIVSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815692 707565030 /nfs/dbraw/zinc/56/50/30/707565030.db2.gz KOJIRMFAIABUOO-TWMKSMIVSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815692 707565033 /nfs/dbraw/zinc/56/50/33/707565033.db2.gz KOJIRMFAIABUOO-TWMKSMIVSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815692 707565035 /nfs/dbraw/zinc/56/50/35/707565035.db2.gz KOJIRMFAIABUOO-TWMKSMIVSA-N 2 2 348.491 1.794 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033354062 707609446 /nfs/dbraw/zinc/60/94/46/707609446.db2.gz MNNOMMXOUHXPPR-FUHWJXTLSA-N 2 2 347.507 1.575 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033354062 707609450 /nfs/dbraw/zinc/60/94/50/707609450.db2.gz MNNOMMXOUHXPPR-FUHWJXTLSA-N 2 2 347.507 1.575 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)C1 ZINC001033354062 707609453 /nfs/dbraw/zinc/60/94/53/707609453.db2.gz MNNOMMXOUHXPPR-FUHWJXTLSA-N 2 2 347.507 1.575 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)C1 ZINC001033354062 707609457 /nfs/dbraw/zinc/60/94/57/707609457.db2.gz MNNOMMXOUHXPPR-FUHWJXTLSA-N 2 2 347.507 1.575 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(F)c3)C2)CC[N@@H+]1C ZINC001033362580 707650256 /nfs/dbraw/zinc/65/02/56/707650256.db2.gz SIGSDGYXHLAOOR-QILLFSRXSA-N 2 2 348.466 1.984 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(F)c3)C2)CC[N@H+]1C ZINC001033362580 707650259 /nfs/dbraw/zinc/65/02/59/707650259.db2.gz SIGSDGYXHLAOOR-QILLFSRXSA-N 2 2 348.466 1.984 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)CC[NH+]1C ZINC001033362580 707650263 /nfs/dbraw/zinc/65/02/63/707650263.db2.gz SIGSDGYXHLAOOR-QILLFSRXSA-N 2 2 348.466 1.984 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CC[NH+]1C ZINC001033362580 707650268 /nfs/dbraw/zinc/65/02/68/707650268.db2.gz SIGSDGYXHLAOOR-QILLFSRXSA-N 2 2 348.466 1.984 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366131 707661926 /nfs/dbraw/zinc/66/19/26/707661926.db2.gz NNRFKRIBGSMWPI-HNNXBMFYSA-N 2 2 346.431 1.984 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366131 707661927 /nfs/dbraw/zinc/66/19/27/707661927.db2.gz NNRFKRIBGSMWPI-HNNXBMFYSA-N 2 2 346.431 1.984 20 0 EDADLP Cc1cnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC001004943491 707690440 /nfs/dbraw/zinc/69/04/40/707690440.db2.gz DOPWRXSVBDALBF-RHSMWYFYSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001033414532 707788051 /nfs/dbraw/zinc/78/80/51/707788051.db2.gz CMCWAHUJRCFFAX-HUUCEWRRSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001033414532 707788054 /nfs/dbraw/zinc/78/80/54/707788054.db2.gz CMCWAHUJRCFFAX-HUUCEWRRSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033414532 707788058 /nfs/dbraw/zinc/78/80/58/707788058.db2.gz CMCWAHUJRCFFAX-HUUCEWRRSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033414532 707788063 /nfs/dbraw/zinc/78/80/63/707788063.db2.gz CMCWAHUJRCFFAX-HUUCEWRRSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454348 707934350 /nfs/dbraw/zinc/93/43/50/707934350.db2.gz CONBLUKHURDRLZ-KRWDZBQOSA-N 2 2 344.463 1.771 20 0 EDADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454348 707934351 /nfs/dbraw/zinc/93/43/51/707934351.db2.gz CONBLUKHURDRLZ-KRWDZBQOSA-N 2 2 344.463 1.771 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c1 ZINC001032783709 707978970 /nfs/dbraw/zinc/97/89/70/707978970.db2.gz NXRUYGSKVGIOTP-IRXDYDNUSA-N 2 2 329.444 1.576 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c1 ZINC001032783709 707978973 /nfs/dbraw/zinc/97/89/73/707978973.db2.gz NXRUYGSKVGIOTP-IRXDYDNUSA-N 2 2 329.444 1.576 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016255975 708148025 /nfs/dbraw/zinc/14/80/25/708148025.db2.gz POWXYQCQWZRCMZ-CHWSQXEVSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016255975 708148028 /nfs/dbraw/zinc/14/80/28/708148028.db2.gz POWXYQCQWZRCMZ-CHWSQXEVSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016255975 708148032 /nfs/dbraw/zinc/14/80/32/708148032.db2.gz POWXYQCQWZRCMZ-CHWSQXEVSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016255975 708148033 /nfs/dbraw/zinc/14/80/33/708148033.db2.gz POWXYQCQWZRCMZ-CHWSQXEVSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)cn1 ZINC001033531964 708155505 /nfs/dbraw/zinc/15/55/05/708155505.db2.gz PICHATQPFJYLBA-SFHVURJKSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)cn1 ZINC001033531964 708155508 /nfs/dbraw/zinc/15/55/08/708155508.db2.gz PICHATQPFJYLBA-SFHVURJKSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001033582924 708267169 /nfs/dbraw/zinc/26/71/69/708267169.db2.gz RKTHJVFDJLFYHS-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001033582924 708267173 /nfs/dbraw/zinc/26/71/73/708267173.db2.gz RKTHJVFDJLFYHS-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC001033582924 708267176 /nfs/dbraw/zinc/26/71/76/708267176.db2.gz RKTHJVFDJLFYHS-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC001033582924 708267177 /nfs/dbraw/zinc/26/71/77/708267177.db2.gz RKTHJVFDJLFYHS-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001033621144 708354076 /nfs/dbraw/zinc/35/40/76/708354076.db2.gz ULFJVERBINAFAU-HNNXBMFYSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001033621144 708354080 /nfs/dbraw/zinc/35/40/80/708354080.db2.gz ULFJVERBINAFAU-HNNXBMFYSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001033666876 708453008 /nfs/dbraw/zinc/45/30/08/708453008.db2.gz CFGOZQGDWKWIIC-OAHLLOKOSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001033666876 708453011 /nfs/dbraw/zinc/45/30/11/708453011.db2.gz CFGOZQGDWKWIIC-OAHLLOKOSA-N 2 2 331.420 1.529 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001033662983 708479580 /nfs/dbraw/zinc/47/95/80/708479580.db2.gz UDRVQNGNETTXNL-YJBOKZPZSA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC001033662983 708479584 /nfs/dbraw/zinc/47/95/84/708479584.db2.gz UDRVQNGNETTXNL-YJBOKZPZSA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC001033662983 708479588 /nfs/dbraw/zinc/47/95/88/708479588.db2.gz UDRVQNGNETTXNL-YJBOKZPZSA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC001033662983 708479592 /nfs/dbraw/zinc/47/95/92/708479592.db2.gz UDRVQNGNETTXNL-YJBOKZPZSA-N 2 2 345.491 1.204 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(C)c3)C2)C1 ZINC001033681594 708493143 /nfs/dbraw/zinc/49/31/43/708493143.db2.gz VDNPMKFKBCMFTI-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(C)c3)C2)C1 ZINC001033681594 708493145 /nfs/dbraw/zinc/49/31/45/708493145.db2.gz VDNPMKFKBCMFTI-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(C)c3)C2)C1 ZINC001033681594 708493146 /nfs/dbraw/zinc/49/31/46/708493146.db2.gz VDNPMKFKBCMFTI-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(C)c3)C2)C1 ZINC001033681594 708493148 /nfs/dbraw/zinc/49/31/48/708493148.db2.gz VDNPMKFKBCMFTI-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001033703802 708532964 /nfs/dbraw/zinc/53/29/64/708532964.db2.gz INKSLIGEBHSNGX-INIZCTEOSA-N 2 2 330.407 1.798 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001033703802 708532966 /nfs/dbraw/zinc/53/29/66/708532966.db2.gz INKSLIGEBHSNGX-INIZCTEOSA-N 2 2 330.407 1.798 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001002120045 708633605 /nfs/dbraw/zinc/63/36/05/708633605.db2.gz DUIDPBCTRJVQCR-OAHLLOKOSA-N 2 2 348.495 1.208 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001002120045 708633608 /nfs/dbraw/zinc/63/36/08/708633608.db2.gz DUIDPBCTRJVQCR-OAHLLOKOSA-N 2 2 348.495 1.208 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033788586 708698962 /nfs/dbraw/zinc/69/89/62/708698962.db2.gz HWLBGTXNGRZYIC-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033788586 708698964 /nfs/dbraw/zinc/69/89/64/708698964.db2.gz HWLBGTXNGRZYIC-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033788586 708698966 /nfs/dbraw/zinc/69/89/66/708698966.db2.gz HWLBGTXNGRZYIC-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033788586 708698968 /nfs/dbraw/zinc/69/89/68/708698968.db2.gz HWLBGTXNGRZYIC-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2c(C)nnn2CC)C1 ZINC001033775864 708701567 /nfs/dbraw/zinc/70/15/67/708701567.db2.gz ONNIJJBLCGQEKT-HZPDHXFCSA-N 2 2 348.495 1.123 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2c(C)nnn2CC)C1 ZINC001033775864 708701569 /nfs/dbraw/zinc/70/15/69/708701569.db2.gz ONNIJJBLCGQEKT-HZPDHXFCSA-N 2 2 348.495 1.123 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2c(C)nnn2CC)C1 ZINC001033775864 708701572 /nfs/dbraw/zinc/70/15/72/708701572.db2.gz ONNIJJBLCGQEKT-HZPDHXFCSA-N 2 2 348.495 1.123 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2c(C)nnn2CC)C1 ZINC001033775864 708701574 /nfs/dbraw/zinc/70/15/74/708701574.db2.gz ONNIJJBLCGQEKT-HZPDHXFCSA-N 2 2 348.495 1.123 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033838382 708867911 /nfs/dbraw/zinc/86/79/11/708867911.db2.gz NRNVQXDAJKAZNB-BPQIPLTHSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033838382 708867914 /nfs/dbraw/zinc/86/79/14/708867914.db2.gz NRNVQXDAJKAZNB-BPQIPLTHSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001033838382 708867917 /nfs/dbraw/zinc/86/79/17/708867917.db2.gz NRNVQXDAJKAZNB-BPQIPLTHSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001033838382 708867921 /nfs/dbraw/zinc/86/79/21/708867921.db2.gz NRNVQXDAJKAZNB-BPQIPLTHSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001033878570 708948860 /nfs/dbraw/zinc/94/88/60/708948860.db2.gz LTOYBWUFJQJACY-UONOGXRCSA-N 2 2 338.452 1.308 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001033878570 708948862 /nfs/dbraw/zinc/94/88/62/708948862.db2.gz LTOYBWUFJQJACY-UONOGXRCSA-N 2 2 338.452 1.308 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC001002445934 708967410 /nfs/dbraw/zinc/96/74/10/708967410.db2.gz YYSFLBSBGXZBBV-OAHLLOKOSA-N 2 2 336.867 1.910 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC001002445934 708967414 /nfs/dbraw/zinc/96/74/14/708967414.db2.gz YYSFLBSBGXZBBV-OAHLLOKOSA-N 2 2 336.867 1.910 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC001002793100 709401236 /nfs/dbraw/zinc/40/12/36/709401236.db2.gz SFDTYFCKWBINRJ-QGZVFWFLSA-N 2 2 345.491 1.738 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC001002793100 709401238 /nfs/dbraw/zinc/40/12/38/709401238.db2.gz SFDTYFCKWBINRJ-QGZVFWFLSA-N 2 2 345.491 1.738 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC001002799681 709413549 /nfs/dbraw/zinc/41/35/49/709413549.db2.gz ARLSYVROZQGWPR-DOTOQJQBSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)o1 ZINC001002799681 709413551 /nfs/dbraw/zinc/41/35/51/709413551.db2.gz ARLSYVROZQGWPR-DOTOQJQBSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001032830152 709465883 /nfs/dbraw/zinc/46/58/83/709465883.db2.gz IIWHCJXAYGADLG-TUUVXOQKSA-N 2 2 334.464 1.965 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001032830152 709465885 /nfs/dbraw/zinc/46/58/85/709465885.db2.gz IIWHCJXAYGADLG-TUUVXOQKSA-N 2 2 334.464 1.965 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001032830152 709465887 /nfs/dbraw/zinc/46/58/87/709465887.db2.gz IIWHCJXAYGADLG-TUUVXOQKSA-N 2 2 334.464 1.965 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001032830152 709465889 /nfs/dbraw/zinc/46/58/89/709465889.db2.gz IIWHCJXAYGADLG-TUUVXOQKSA-N 2 2 334.464 1.965 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034213146 709564514 /nfs/dbraw/zinc/56/45/14/709564514.db2.gz UPHXIMPXAGHDRS-IAGOWNOFSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034213146 709564516 /nfs/dbraw/zinc/56/45/16/709564516.db2.gz UPHXIMPXAGHDRS-IAGOWNOFSA-N 2 2 346.475 1.796 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccn3)C2)O1 ZINC001034273879 709683070 /nfs/dbraw/zinc/68/30/70/709683070.db2.gz RLFWBCFGOSMAHJ-BPQIPLTHSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccn3)C2)O1 ZINC001034273879 709683071 /nfs/dbraw/zinc/68/30/71/709683071.db2.gz RLFWBCFGOSMAHJ-BPQIPLTHSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccn3)C2)O1 ZINC001034273879 709683073 /nfs/dbraw/zinc/68/30/73/709683073.db2.gz RLFWBCFGOSMAHJ-BPQIPLTHSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccn3)C2)O1 ZINC001034273879 709683075 /nfs/dbraw/zinc/68/30/75/709683075.db2.gz RLFWBCFGOSMAHJ-BPQIPLTHSA-N 2 2 346.475 1.271 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)C2 ZINC001034278907 709694766 /nfs/dbraw/zinc/69/47/66/709694766.db2.gz MZWYKWLFCRUNEM-LSDHHAIUSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)C2 ZINC001034278907 709694769 /nfs/dbraw/zinc/69/47/69/709694769.db2.gz MZWYKWLFCRUNEM-LSDHHAIUSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)CC2 ZINC001034278907 709694771 /nfs/dbraw/zinc/69/47/71/709694771.db2.gz MZWYKWLFCRUNEM-LSDHHAIUSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)CC2 ZINC001034278907 709694775 /nfs/dbraw/zinc/69/47/75/709694775.db2.gz MZWYKWLFCRUNEM-LSDHHAIUSA-N 2 2 334.464 1.176 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001034395430 709933574 /nfs/dbraw/zinc/93/35/74/709933574.db2.gz ZCSQWVSGPMUYRC-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001034395430 709933575 /nfs/dbraw/zinc/93/35/75/709933575.db2.gz ZCSQWVSGPMUYRC-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001034395430 709933577 /nfs/dbraw/zinc/93/35/77/709933577.db2.gz ZCSQWVSGPMUYRC-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001034395430 709933579 /nfs/dbraw/zinc/93/35/79/709933579.db2.gz ZCSQWVSGPMUYRC-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034400968 709944642 /nfs/dbraw/zinc/94/46/42/709944642.db2.gz YYXTXGODWVKIBM-HOTGVXAUSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034400968 709944646 /nfs/dbraw/zinc/94/46/46/709944646.db2.gz YYXTXGODWVKIBM-HOTGVXAUSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034400968 709944650 /nfs/dbraw/zinc/94/46/50/709944650.db2.gz YYXTXGODWVKIBM-HOTGVXAUSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034400968 709944654 /nfs/dbraw/zinc/94/46/54/709944654.db2.gz YYXTXGODWVKIBM-HOTGVXAUSA-N 2 2 333.480 1.375 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C34CCC[NH+](CCC3)C4)CC2)o1 ZINC001003127424 710024502 /nfs/dbraw/zinc/02/45/02/710024502.db2.gz IRALEGIFSTZRAS-UHFFFAOYSA-N 2 2 346.475 1.940 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001003142237 710037041 /nfs/dbraw/zinc/03/70/41/710037041.db2.gz BTQWVSMFIFQPFH-DOTOQJQBSA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001003142237 710037042 /nfs/dbraw/zinc/03/70/42/710037042.db2.gz BTQWVSMFIFQPFH-DOTOQJQBSA-N 2 2 347.463 1.476 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003192116 710088102 /nfs/dbraw/zinc/08/81/02/710088102.db2.gz DZINDFKYPDQGTQ-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001003185587 710101711 /nfs/dbraw/zinc/10/17/11/710101711.db2.gz UFBGILDRHNUVTI-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034490623 710109514 /nfs/dbraw/zinc/10/95/14/710109514.db2.gz MIKQEWYNUZXHMR-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001034490623 710109515 /nfs/dbraw/zinc/10/95/15/710109515.db2.gz MIKQEWYNUZXHMR-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034490623 710109518 /nfs/dbraw/zinc/10/95/18/710109518.db2.gz MIKQEWYNUZXHMR-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034490623 710109520 /nfs/dbraw/zinc/10/95/20/710109520.db2.gz MIKQEWYNUZXHMR-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC2CC[NH+](C/C=C/Cl)CC2)no1 ZINC001003221217 710140045 /nfs/dbraw/zinc/14/00/45/710140045.db2.gz LNSWRUHFXTWWJH-ZZXKWVIFSA-N 2 2 326.828 1.683 20 0 EDADLP Cc1nccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528068 710181625 /nfs/dbraw/zinc/18/16/25/710181625.db2.gz JEKYHAWLXAJMGU-MRXNPFEDSA-N 2 2 331.464 1.352 20 0 EDADLP Cc1nccnc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528068 710181627 /nfs/dbraw/zinc/18/16/27/710181627.db2.gz JEKYHAWLXAJMGU-MRXNPFEDSA-N 2 2 331.464 1.352 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001034528733 710182807 /nfs/dbraw/zinc/18/28/07/710182807.db2.gz PTLKXIKKYHOBTJ-QGZVFWFLSA-N 2 2 334.439 1.787 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](Cc2cncc(F)c2)C1 ZINC001034528733 710182809 /nfs/dbraw/zinc/18/28/09/710182809.db2.gz PTLKXIKKYHOBTJ-QGZVFWFLSA-N 2 2 334.439 1.787 20 0 EDADLP COc1cccc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034528717 710182813 /nfs/dbraw/zinc/18/28/13/710182813.db2.gz POIKKYHKIRGYQV-MRXNPFEDSA-N 2 2 346.475 1.657 20 0 EDADLP COc1cccc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034528717 710182814 /nfs/dbraw/zinc/18/28/14/710182814.db2.gz POIKKYHKIRGYQV-MRXNPFEDSA-N 2 2 346.475 1.657 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)on1 ZINC001034529937 710186281 /nfs/dbraw/zinc/18/62/81/710186281.db2.gz RKMGURFLWIADKV-AWEZNQCLSA-N 2 2 347.419 1.359 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)on1 ZINC001034529937 710186284 /nfs/dbraw/zinc/18/62/84/710186284.db2.gz RKMGURFLWIADKV-AWEZNQCLSA-N 2 2 347.419 1.359 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034530140 710186361 /nfs/dbraw/zinc/18/63/61/710186361.db2.gz SZCREYPTYLIAFO-DOMZBBRYSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1nnc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034530140 710186364 /nfs/dbraw/zinc/18/63/64/710186364.db2.gz SZCREYPTYLIAFO-DOMZBBRYSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1noc(CCC[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001034546987 710220767 /nfs/dbraw/zinc/22/07/67/710220767.db2.gz MBKMJBZJSBZZMW-HNNXBMFYSA-N 2 2 346.435 1.178 20 0 EDADLP Cc1noc(CCC[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001034546987 710220770 /nfs/dbraw/zinc/22/07/70/710220770.db2.gz MBKMJBZJSBZZMW-HNNXBMFYSA-N 2 2 346.435 1.178 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032839777 710282384 /nfs/dbraw/zinc/28/23/84/710282384.db2.gz ZNHWJMRLRYCYDU-SQNIBIBYSA-N 2 2 349.450 1.534 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032839777 710282387 /nfs/dbraw/zinc/28/23/87/710282387.db2.gz ZNHWJMRLRYCYDU-SQNIBIBYSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032839777 710282389 /nfs/dbraw/zinc/28/23/89/710282389.db2.gz ZNHWJMRLRYCYDU-SQNIBIBYSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032839777 710282391 /nfs/dbraw/zinc/28/23/91/710282391.db2.gz ZNHWJMRLRYCYDU-SQNIBIBYSA-N 2 2 349.450 1.534 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC001034610225 710284032 /nfs/dbraw/zinc/28/40/32/710284032.db2.gz JMTTUKXJLCLGNC-MXAVVETBSA-N 2 2 335.452 1.550 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC001034610225 710284035 /nfs/dbraw/zinc/28/40/35/710284035.db2.gz JMTTUKXJLCLGNC-MXAVVETBSA-N 2 2 335.452 1.550 20 0 EDADLP COc1cncc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003629336 710458902 /nfs/dbraw/zinc/45/89/02/710458902.db2.gz ZKIGRJNAWGCPDH-AWEZNQCLSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003629336 710458904 /nfs/dbraw/zinc/45/89/04/710458904.db2.gz ZKIGRJNAWGCPDH-AWEZNQCLSA-N 2 2 347.463 1.050 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003737001 710517985 /nfs/dbraw/zinc/51/79/85/710517985.db2.gz CJKTYMTZQLAVSM-QGZVFWFLSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003737001 710517986 /nfs/dbraw/zinc/51/79/86/710517986.db2.gz CJKTYMTZQLAVSM-QGZVFWFLSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003737000 710518081 /nfs/dbraw/zinc/51/80/81/710518081.db2.gz CJKTYMTZQLAVSM-KRWDZBQOSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003737000 710518083 /nfs/dbraw/zinc/51/80/83/710518083.db2.gz CJKTYMTZQLAVSM-KRWDZBQOSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)o1 ZINC001003776223 710545247 /nfs/dbraw/zinc/54/52/47/710545247.db2.gz LDHOKHSJTSFIAJ-HOTGVXAUSA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)o1 ZINC001003776223 710545249 /nfs/dbraw/zinc/54/52/49/710545249.db2.gz LDHOKHSJTSFIAJ-HOTGVXAUSA-N 2 2 347.463 1.476 20 0 EDADLP CCn1nncc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005592521 710639504 /nfs/dbraw/zinc/63/95/04/710639504.db2.gz NYIYUPBGLNIDOR-QGZVFWFLSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005592521 710639507 /nfs/dbraw/zinc/63/95/07/710639507.db2.gz NYIYUPBGLNIDOR-QGZVFWFLSA-N 2 2 348.495 1.205 20 0 EDADLP Cc1conc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005593045 710641566 /nfs/dbraw/zinc/64/15/66/710641566.db2.gz PHMWDURTXJZRNI-QGZVFWFLSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1conc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005593045 710641568 /nfs/dbraw/zinc/64/15/68/710641568.db2.gz PHMWDURTXJZRNI-QGZVFWFLSA-N 2 2 334.464 1.890 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005607141 710690522 /nfs/dbraw/zinc/69/05/22/710690522.db2.gz QRWJVJDQCINLGQ-LSDHHAIUSA-N 2 2 334.464 1.403 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001005637138 710811828 /nfs/dbraw/zinc/81/18/28/710811828.db2.gz CZOSDOWODNVEAP-CYBMUJFWSA-N 2 2 338.452 1.308 20 0 EDADLP CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1)OC ZINC000946573350 710845574 /nfs/dbraw/zinc/84/55/74/710845574.db2.gz NJLZEIBFVOXRBM-IXDOHACOSA-N 2 2 348.491 1.938 20 0 EDADLP CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]2C1)OC ZINC000946573350 710845580 /nfs/dbraw/zinc/84/55/80/710845580.db2.gz NJLZEIBFVOXRBM-IXDOHACOSA-N 2 2 348.491 1.938 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034717216 710864174 /nfs/dbraw/zinc/86/41/74/710864174.db2.gz LBQFYSMXVSGSCY-HDJSIYSDSA-N 2 2 347.419 1.555 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)sc1C ZINC001032944194 710919213 /nfs/dbraw/zinc/91/92/13/710919213.db2.gz JCRKCORPABLETA-HUUCEWRRSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)sc1C ZINC001032944194 710919214 /nfs/dbraw/zinc/91/92/14/710919214.db2.gz JCRKCORPABLETA-HUUCEWRRSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)sc1C ZINC001032944194 710919216 /nfs/dbraw/zinc/91/92/16/710919216.db2.gz JCRKCORPABLETA-HUUCEWRRSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)sc1C ZINC001032944194 710919218 /nfs/dbraw/zinc/91/92/18/710919218.db2.gz JCRKCORPABLETA-HUUCEWRRSA-N 2 2 336.505 1.887 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001032944442 710921177 /nfs/dbraw/zinc/92/11/77/710921177.db2.gz KSSAWQSBCHTMMQ-HOCLYGCPSA-N 2 2 342.443 1.955 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001032944442 710921180 /nfs/dbraw/zinc/92/11/80/710921180.db2.gz KSSAWQSBCHTMMQ-HOCLYGCPSA-N 2 2 342.443 1.955 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001032944442 710921183 /nfs/dbraw/zinc/92/11/83/710921183.db2.gz KSSAWQSBCHTMMQ-HOCLYGCPSA-N 2 2 342.443 1.955 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001032944442 710921186 /nfs/dbraw/zinc/92/11/86/710921186.db2.gz KSSAWQSBCHTMMQ-HOCLYGCPSA-N 2 2 342.443 1.955 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001034744618 710960471 /nfs/dbraw/zinc/96/04/71/710960471.db2.gz ZCWKTTSACQAWGR-SHTZXODSSA-N 2 2 328.420 1.268 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001032974714 711059332 /nfs/dbraw/zinc/05/93/32/711059332.db2.gz CBZYZWGMSVAMRO-RDJZCZTQSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001032974714 711059335 /nfs/dbraw/zinc/05/93/35/711059335.db2.gz CBZYZWGMSVAMRO-RDJZCZTQSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001032974714 711059338 /nfs/dbraw/zinc/05/93/38/711059338.db2.gz CBZYZWGMSVAMRO-RDJZCZTQSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001032974714 711059341 /nfs/dbraw/zinc/05/93/41/711059341.db2.gz CBZYZWGMSVAMRO-RDJZCZTQSA-N 2 2 335.423 1.189 20 0 EDADLP Cc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976687 711089449 /nfs/dbraw/zinc/08/94/49/711089449.db2.gz PBNPZDBREOIZOI-ROUUACIJSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976687 711089451 /nfs/dbraw/zinc/08/94/51/711089451.db2.gz PBNPZDBREOIZOI-ROUUACIJSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001032976687 711089455 /nfs/dbraw/zinc/08/94/55/711089455.db2.gz PBNPZDBREOIZOI-ROUUACIJSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001032976687 711089459 /nfs/dbraw/zinc/08/94/59/711089459.db2.gz PBNPZDBREOIZOI-ROUUACIJSA-N 2 2 331.460 1.358 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001003972010 711124754 /nfs/dbraw/zinc/12/47/54/711124754.db2.gz TVVDOHFFXKYVIA-SFHVURJKSA-N 2 2 348.491 1.484 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001003974751 711134766 /nfs/dbraw/zinc/13/47/66/711134766.db2.gz JOOTWHXTCIZVCE-OCCSQVGLSA-N 2 2 334.468 1.097 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001003974751 711134770 /nfs/dbraw/zinc/13/47/70/711134770.db2.gz JOOTWHXTCIZVCE-OCCSQVGLSA-N 2 2 334.468 1.097 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001005719600 711143226 /nfs/dbraw/zinc/14/32/26/711143226.db2.gz RBHYWKLMCWNQCR-HNNXBMFYSA-N 2 2 342.447 1.666 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003968689 711144292 /nfs/dbraw/zinc/14/42/92/711144292.db2.gz SSEOUPUHYDKQQJ-GOEBONIOSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001034890307 711346184 /nfs/dbraw/zinc/34/61/84/711346184.db2.gz AQLIFPZAEZOEIX-MSOLQXFVSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001034890307 711346186 /nfs/dbraw/zinc/34/61/86/711346186.db2.gz AQLIFPZAEZOEIX-MSOLQXFVSA-N 2 2 349.450 1.545 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147466 711559409 /nfs/dbraw/zinc/55/94/09/711559409.db2.gz IJFRDJRZMPCKTB-UHFFFAOYSA-N 2 2 334.464 1.974 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2nccnc2C)CC1 ZINC001004160340 711586193 /nfs/dbraw/zinc/58/61/93/711586193.db2.gz LSQGZNDOHPERGZ-UHFFFAOYSA-N 2 2 328.420 1.071 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033152237 712144648 /nfs/dbraw/zinc/14/46/48/712144648.db2.gz NTJJBEQGZBBSSJ-HOTGVXAUSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033152237 712144649 /nfs/dbraw/zinc/14/46/49/712144649.db2.gz NTJJBEQGZBBSSJ-HOTGVXAUSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033152237 712144651 /nfs/dbraw/zinc/14/46/51/712144651.db2.gz NTJJBEQGZBBSSJ-HOTGVXAUSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033152237 712144652 /nfs/dbraw/zinc/14/46/52/712144652.db2.gz NTJJBEQGZBBSSJ-HOTGVXAUSA-N 2 2 348.495 1.111 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000051758575 214104280 /nfs/dbraw/zinc/10/42/80/214104280.db2.gz DXKBFSZUMYZKMR-GASCZTMLSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1c[nH+]cn1C ZINC000343485455 282167196 /nfs/dbraw/zinc/16/71/96/282167196.db2.gz YCBQBRHKZHJELF-DOTOQJQBSA-N 2 2 333.480 1.357 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCNC(=O)OC(C)(C)C ZINC000374421923 282215485 /nfs/dbraw/zinc/21/54/85/282215485.db2.gz PWASTMXGRFHMAU-KFWWJZLASA-N 2 2 327.469 1.695 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCNC(=O)OC(C)(C)C ZINC000374421923 282215490 /nfs/dbraw/zinc/21/54/90/282215490.db2.gz PWASTMXGRFHMAU-KFWWJZLASA-N 2 2 327.469 1.695 20 0 EDADLP CCn1cc[nH+]c1CNc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000559232987 306251773 /nfs/dbraw/zinc/25/17/73/306251773.db2.gz OLTWVBJSQVVHFP-UHFFFAOYSA-N 2 2 327.432 1.903 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000174894575 529776380 /nfs/dbraw/zinc/77/63/80/529776380.db2.gz HUBZBABZNFABNQ-ROUUACIJSA-N 2 2 348.466 1.454 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000174894575 529776381 /nfs/dbraw/zinc/77/63/81/529776381.db2.gz HUBZBABZNFABNQ-ROUUACIJSA-N 2 2 348.466 1.454 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000174726208 529887768 /nfs/dbraw/zinc/88/77/68/529887768.db2.gz CHFPOUJPMNCWQN-UHFFFAOYSA-N 3 2 327.476 1.942 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000174726208 529887769 /nfs/dbraw/zinc/88/77/69/529887769.db2.gz CHFPOUJPMNCWQN-UHFFFAOYSA-N 3 2 327.476 1.942 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@H](O)c1ccc(F)cc1F ZINC000180940609 529903633 /nfs/dbraw/zinc/90/36/33/529903633.db2.gz FYMMEXDGCAYEQM-SFHVURJKSA-N 2 2 341.446 1.956 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@H](O)c1ccc(F)cc1F ZINC000180940609 529903634 /nfs/dbraw/zinc/90/36/34/529903634.db2.gz FYMMEXDGCAYEQM-SFHVURJKSA-N 2 2 341.446 1.956 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000168161408 529962280 /nfs/dbraw/zinc/96/22/80/529962280.db2.gz ZIMBPXYWHGNQES-LSDHHAIUSA-N 2 2 337.489 1.579 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@@H]3CCOC3)CC2)c1 ZINC000178337866 232139903 /nfs/dbraw/zinc/13/99/03/232139903.db2.gz OLPNZUHLXZUXJC-IBGZPJMESA-N 2 2 345.487 1.608 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@@H]3CCOC3)CC2)c1 ZINC000178337866 232139906 /nfs/dbraw/zinc/13/99/06/232139906.db2.gz OLPNZUHLXZUXJC-IBGZPJMESA-N 2 2 345.487 1.608 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC1CCOCC1 ZINC000178409786 232158117 /nfs/dbraw/zinc/15/81/17/232158117.db2.gz VKRVDWSCHFWICF-SFHVURJKSA-N 2 2 342.443 1.344 20 0 EDADLP Cc1cc(C)c(CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)c[nH+]1 ZINC000560470121 306270126 /nfs/dbraw/zinc/27/01/26/306270126.db2.gz MQDOMKQGOOEGGW-UHFFFAOYSA-N 2 2 338.415 1.976 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000561146594 306282671 /nfs/dbraw/zinc/28/26/71/306282671.db2.gz IWHSGBRDTPWYTE-BBRMVZONSA-N 2 2 345.422 1.947 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000151316383 539750036 /nfs/dbraw/zinc/75/00/36/539750036.db2.gz HFGRYHPYGRIIST-MSOLQXFVSA-N 2 2 344.459 1.374 20 0 EDADLP CC1CC[NH+](CC(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC1 ZINC000561953295 306291660 /nfs/dbraw/zinc/29/16/60/306291660.db2.gz POKLTLKXOZBEKC-UHFFFAOYSA-N 2 2 344.463 1.377 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ncc[nH]1 ZINC000286237322 540083444 /nfs/dbraw/zinc/08/34/44/540083444.db2.gz TVBIBKVIPJHPRE-PBHICJAKSA-N 2 2 341.459 1.958 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ncc[nH]1 ZINC000286237322 540083449 /nfs/dbraw/zinc/08/34/49/540083449.db2.gz TVBIBKVIPJHPRE-PBHICJAKSA-N 2 2 341.459 1.958 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000563271740 306325712 /nfs/dbraw/zinc/32/57/12/306325712.db2.gz ZBSRPGIRBLILNQ-OAHLLOKOSA-N 2 2 325.497 1.866 20 0 EDADLP CC1CC[NH+](CCCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000345967937 535278922 /nfs/dbraw/zinc/27/89/22/535278922.db2.gz FIHFKQGVCYXVAD-IAGOWNOFSA-N 2 2 338.496 1.223 20 0 EDADLP CC1CC[NH+](CCCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000345967937 535278926 /nfs/dbraw/zinc/27/89/26/535278926.db2.gz FIHFKQGVCYXVAD-IAGOWNOFSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000373210271 283115632 /nfs/dbraw/zinc/11/56/32/283115632.db2.gz GCUNKVAXLJNTPR-VNHYZAJKSA-N 2 2 328.503 1.908 20 0 EDADLP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000373210271 283115634 /nfs/dbraw/zinc/11/56/34/283115634.db2.gz GCUNKVAXLJNTPR-VNHYZAJKSA-N 2 2 328.503 1.908 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1C(C)=CCC[C@@H]1C ZINC000343628935 291078757 /nfs/dbraw/zinc/07/87/57/291078757.db2.gz XQZRJXNHKKPRTP-ROUUACIJSA-N 2 2 337.508 1.701 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1C(C)=CCC[C@@H]1C ZINC000343628935 291078758 /nfs/dbraw/zinc/07/87/58/291078758.db2.gz XQZRJXNHKKPRTP-ROUUACIJSA-N 2 2 337.508 1.701 20 0 EDADLP CCCOc1ccc(OCC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000051761145 138135305 /nfs/dbraw/zinc/13/53/05/138135305.db2.gz XPGVIXWEFJBZKW-UHFFFAOYSA-N 2 2 349.475 1.560 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C1([NH+]2CCOCC2)CCCC1)c1ccco1 ZINC000074168707 138227048 /nfs/dbraw/zinc/22/70/48/138227048.db2.gz QBEITOMAISWURN-OAHLLOKOSA-N 2 2 335.448 1.644 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000563560760 306339044 /nfs/dbraw/zinc/33/90/44/306339044.db2.gz ZSJUMLSGXNFVNX-MRXNPFEDSA-N 2 2 348.491 1.647 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000563560760 306339045 /nfs/dbraw/zinc/33/90/45/306339045.db2.gz ZSJUMLSGXNFVNX-MRXNPFEDSA-N 2 2 348.491 1.647 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCC(C)(C)CO)CC1 ZINC000086406462 138271082 /nfs/dbraw/zinc/27/10/82/138271082.db2.gz HSWRFJAAZZGYPN-UHFFFAOYSA-N 2 2 328.501 1.110 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091318995 138283780 /nfs/dbraw/zinc/28/37/80/138283780.db2.gz YKJPKUFACJLLAT-HIFRSBDPSA-N 2 2 341.477 1.095 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091318995 138283781 /nfs/dbraw/zinc/28/37/81/138283781.db2.gz YKJPKUFACJLLAT-HIFRSBDPSA-N 2 2 341.477 1.095 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000563653764 306343836 /nfs/dbraw/zinc/34/38/36/306343836.db2.gz BUHFIJXBVDPKKN-CABCVRRESA-N 2 2 332.366 1.784 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000563653764 306343837 /nfs/dbraw/zinc/34/38/37/306343837.db2.gz BUHFIJXBVDPKKN-CABCVRRESA-N 2 2 332.366 1.784 20 0 EDADLP COC(=O)[C@H]1CN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC[N@H+](C)C1 ZINC000413501972 304064165 /nfs/dbraw/zinc/06/41/65/304064165.db2.gz PPVZUUNVFZGLSV-CYBMUJFWSA-N 2 2 335.452 1.207 20 0 EDADLP COC(=O)[C@H]1CN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC[N@@H+](C)C1 ZINC000413501972 304064168 /nfs/dbraw/zinc/06/41/68/304064168.db2.gz PPVZUUNVFZGLSV-CYBMUJFWSA-N 2 2 335.452 1.207 20 0 EDADLP Cn1nc(C(C)(C)C)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177143563 138724254 /nfs/dbraw/zinc/72/42/54/138724254.db2.gz SSTRYKJFAZWDSG-UHFFFAOYSA-N 2 2 335.496 1.473 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000564944347 306370832 /nfs/dbraw/zinc/37/08/32/306370832.db2.gz IPLIWXONKIFYEW-AWEZNQCLSA-N 2 2 340.265 1.483 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000564944347 306370833 /nfs/dbraw/zinc/37/08/33/306370833.db2.gz IPLIWXONKIFYEW-AWEZNQCLSA-N 2 2 340.265 1.483 20 0 EDADLP O=C1[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCN1c1cccc(F)c1 ZINC000565164998 306377040 /nfs/dbraw/zinc/37/70/40/306377040.db2.gz OMXALXSBCKQJCM-INIZCTEOSA-N 2 2 343.406 1.866 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCCNC(=O)c2cccc(F)c2)n1C ZINC000414336013 304107913 /nfs/dbraw/zinc/10/79/13/304107913.db2.gz CMCOFVTYDSACPX-UHFFFAOYSA-N 2 2 333.411 1.535 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000565714033 306389550 /nfs/dbraw/zinc/38/95/50/306389550.db2.gz QDFCZWVJIIOUCF-QGZVFWFLSA-N 2 2 341.459 1.545 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000565775610 306391243 /nfs/dbraw/zinc/39/12/43/306391243.db2.gz FPDHRAFQDJALKE-HXUWFJFHSA-N 3 2 330.520 1.961 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000565775610 306391244 /nfs/dbraw/zinc/39/12/44/306391244.db2.gz FPDHRAFQDJALKE-HXUWFJFHSA-N 3 2 330.520 1.961 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCCC[NH3+] ZINC000565895929 306394480 /nfs/dbraw/zinc/39/44/80/306394480.db2.gz YGVIDRISQIMKIO-QGZVFWFLSA-N 2 2 333.476 1.865 20 0 EDADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000566058521 306397112 /nfs/dbraw/zinc/39/71/12/306397112.db2.gz UKYDIBUYLPKUJC-YESZJQIVSA-N 2 2 348.516 1.963 20 0 EDADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000566058519 306397118 /nfs/dbraw/zinc/39/71/18/306397118.db2.gz UKYDIBUYLPKUJC-GVDBMIGSSA-N 2 2 348.516 1.963 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000153227836 284057429 /nfs/dbraw/zinc/05/74/29/284057429.db2.gz PDIAFLZOLJTTTD-SJORKVTESA-N 2 2 343.475 1.930 20 0 EDADLP C[NH2+]CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000414829614 304145449 /nfs/dbraw/zinc/14/54/49/304145449.db2.gz MXLOSXKPPCYQIB-UHFFFAOYSA-N 2 2 328.254 1.595 20 0 EDADLP COc1cc(Br)ccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415036378 304152991 /nfs/dbraw/zinc/15/29/91/304152991.db2.gz JTFDRDIPFLASGC-CYBMUJFWSA-N 2 2 329.238 1.926 20 0 EDADLP CN(c1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC[NH+](C)CC1 ZINC000415049338 304154665 /nfs/dbraw/zinc/15/46/65/304154665.db2.gz XYEJJGQUGNSSLM-IBGZPJMESA-N 3 2 346.519 1.685 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000567246257 306444098 /nfs/dbraw/zinc/44/40/98/306444098.db2.gz FJVHZTASAXQKJH-SJORKVTESA-N 2 2 325.416 1.435 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCCc1ccc(F)cc1 ZINC000567286319 306445726 /nfs/dbraw/zinc/44/57/26/306445726.db2.gz HXHKDEUQTRDCGO-UHFFFAOYSA-N 2 2 331.395 1.030 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000342204858 296181337 /nfs/dbraw/zinc/18/13/37/296181337.db2.gz PTJJAGZCUIRDAB-HUUCEWRRSA-N 2 2 337.468 1.006 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)[NH+]2CCOCC2)cc1 ZINC000236693587 139028914 /nfs/dbraw/zinc/02/89/14/139028914.db2.gz KNYQQPGVLZVLON-ZWKOTPCHSA-N 2 2 333.476 1.858 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110630943 220050171 /nfs/dbraw/zinc/05/01/71/220050171.db2.gz QSUIOBJDCZJHEG-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110630943 220050173 /nfs/dbraw/zinc/05/01/73/220050173.db2.gz QSUIOBJDCZJHEG-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP CC(C)[C@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000110660036 220053209 /nfs/dbraw/zinc/05/32/09/220053209.db2.gz OAGFZABIADIPBM-QGZVFWFLSA-N 2 2 346.475 1.599 20 0 EDADLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000237230511 139045238 /nfs/dbraw/zinc/04/52/38/139045238.db2.gz UQEHKEFVWVBGOI-INIZCTEOSA-N 2 2 346.456 1.702 20 0 EDADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000237230511 139045239 /nfs/dbraw/zinc/04/52/39/139045239.db2.gz UQEHKEFVWVBGOI-INIZCTEOSA-N 2 2 346.456 1.702 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498841 284341029 /nfs/dbraw/zinc/34/10/29/284341029.db2.gz JGTUHPHYWDCWPY-CRAIPNDOSA-N 2 2 341.496 1.774 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498841 284341032 /nfs/dbraw/zinc/34/10/32/284341032.db2.gz JGTUHPHYWDCWPY-CRAIPNDOSA-N 2 2 341.496 1.774 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498841 284341035 /nfs/dbraw/zinc/34/10/35/284341035.db2.gz JGTUHPHYWDCWPY-CRAIPNDOSA-N 2 2 341.496 1.774 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498841 284341037 /nfs/dbraw/zinc/34/10/37/284341037.db2.gz JGTUHPHYWDCWPY-CRAIPNDOSA-N 2 2 341.496 1.774 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1csc(C[NH3+])n1 ZINC000237716914 139058486 /nfs/dbraw/zinc/05/84/86/139058486.db2.gz MYUJHXRUSKGOOZ-UHFFFAOYSA-N 2 2 346.456 1.995 20 0 EDADLP [NH3+]Cc1nc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000238038783 139067300 /nfs/dbraw/zinc/06/73/00/139067300.db2.gz BNNSLYQPFNUCLB-UHFFFAOYSA-N 2 2 346.456 1.364 20 0 EDADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238095630 139068987 /nfs/dbraw/zinc/06/89/87/139068987.db2.gz AGRZGQZEGUEQDN-FQEVSTJZSA-N 2 2 335.451 1.875 20 0 EDADLP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238095630 139068988 /nfs/dbraw/zinc/06/89/88/139068988.db2.gz AGRZGQZEGUEQDN-FQEVSTJZSA-N 2 2 335.451 1.875 20 0 EDADLP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000111858428 220211529 /nfs/dbraw/zinc/21/15/29/220211529.db2.gz IRMDILXMSLPVRA-LSDHHAIUSA-N 2 2 326.485 1.268 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238137762 139069576 /nfs/dbraw/zinc/06/95/76/139069576.db2.gz YJDJEIZEDDWGPH-ZWKOTPCHSA-N 2 2 343.471 1.566 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000246043362 139092926 /nfs/dbraw/zinc/09/29/26/139092926.db2.gz XIEPSBPZLHJHOI-YLFCFFPRSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000246043362 139092927 /nfs/dbraw/zinc/09/29/27/139092927.db2.gz XIEPSBPZLHJHOI-YLFCFFPRSA-N 2 2 338.496 1.221 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000246134198 139096103 /nfs/dbraw/zinc/09/61/03/139096103.db2.gz JHVCAZABMFHSQA-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000246134198 139096104 /nfs/dbraw/zinc/09/61/04/139096104.db2.gz JHVCAZABMFHSQA-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000246134198 139096105 /nfs/dbraw/zinc/09/61/05/139096105.db2.gz JHVCAZABMFHSQA-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000246134198 139096106 /nfs/dbraw/zinc/09/61/06/139096106.db2.gz JHVCAZABMFHSQA-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP O=C([C@@H]1CCCn2cc[nH+]c21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000175952599 284489050 /nfs/dbraw/zinc/48/90/50/284489050.db2.gz KZEHROGBZVRXTK-MRXNPFEDSA-N 2 2 331.464 1.001 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246350634 139105053 /nfs/dbraw/zinc/10/50/53/139105053.db2.gz JXQRVJNHJIXLII-OWCLPIDISA-N 2 2 338.496 1.807 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246350634 139105054 /nfs/dbraw/zinc/10/50/54/139105054.db2.gz JXQRVJNHJIXLII-OWCLPIDISA-N 2 2 338.496 1.807 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246350634 139105055 /nfs/dbraw/zinc/10/50/55/139105055.db2.gz JXQRVJNHJIXLII-OWCLPIDISA-N 2 2 338.496 1.807 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246350634 139105056 /nfs/dbraw/zinc/10/50/56/139105056.db2.gz JXQRVJNHJIXLII-OWCLPIDISA-N 2 2 338.496 1.807 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246759634 139120437 /nfs/dbraw/zinc/12/04/37/139120437.db2.gz MTRPOHZHGPIKME-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246759634 139120438 /nfs/dbraw/zinc/12/04/38/139120438.db2.gz MTRPOHZHGPIKME-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246759634 139120439 /nfs/dbraw/zinc/12/04/39/139120439.db2.gz MTRPOHZHGPIKME-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246759634 139120440 /nfs/dbraw/zinc/12/04/40/139120440.db2.gz MTRPOHZHGPIKME-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP Cc1csc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc(=O)n12 ZINC000246743620 139119869 /nfs/dbraw/zinc/11/98/69/139119869.db2.gz GVUCWYHDRVWHHB-ZFWWWQNUSA-N 2 2 332.473 1.981 20 0 EDADLP Cc1csc2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc(=O)n12 ZINC000246743620 139119870 /nfs/dbraw/zinc/11/98/70/139119870.db2.gz GVUCWYHDRVWHHB-ZFWWWQNUSA-N 2 2 332.473 1.981 20 0 EDADLP Cc1csc2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc(=O)n12 ZINC000246743620 139119871 /nfs/dbraw/zinc/11/98/71/139119871.db2.gz GVUCWYHDRVWHHB-ZFWWWQNUSA-N 2 2 332.473 1.981 20 0 EDADLP Cc1csc2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc(=O)n12 ZINC000246743620 139119872 /nfs/dbraw/zinc/11/98/72/139119872.db2.gz GVUCWYHDRVWHHB-ZFWWWQNUSA-N 2 2 332.473 1.981 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246943345 139128010 /nfs/dbraw/zinc/12/80/10/139128010.db2.gz NQBMUASNSZJDQA-WMLDXEAASA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246943345 139128011 /nfs/dbraw/zinc/12/80/11/139128011.db2.gz NQBMUASNSZJDQA-WMLDXEAASA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246943345 139128012 /nfs/dbraw/zinc/12/80/12/139128012.db2.gz NQBMUASNSZJDQA-WMLDXEAASA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246943345 139128013 /nfs/dbraw/zinc/12/80/13/139128013.db2.gz NQBMUASNSZJDQA-WMLDXEAASA-N 2 2 345.443 1.828 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415321080 304194093 /nfs/dbraw/zinc/19/40/93/304194093.db2.gz XQDHIEIPNUNBAJ-FZKQIMNGSA-N 2 2 347.463 1.675 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000568371452 306479871 /nfs/dbraw/zinc/47/98/71/306479871.db2.gz FGKMGUNUIKVVGN-WEBJUUICSA-N 2 2 328.460 1.764 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000247375670 139146490 /nfs/dbraw/zinc/14/64/90/139146490.db2.gz SOMSMKIHCKPOTI-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000247375670 139146491 /nfs/dbraw/zinc/14/64/91/139146491.db2.gz SOMSMKIHCKPOTI-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247700638 139154171 /nfs/dbraw/zinc/15/41/71/139154171.db2.gz UOPJIQPSMZBXPB-GVDBMIGSSA-N 2 2 349.479 1.586 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247700638 139154172 /nfs/dbraw/zinc/15/41/72/139154172.db2.gz UOPJIQPSMZBXPB-GVDBMIGSSA-N 2 2 349.479 1.586 20 0 EDADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000092843251 218175038 /nfs/dbraw/zinc/17/50/38/218175038.db2.gz IIPTUJISWBUZFI-MRXNPFEDSA-N 2 2 334.445 1.386 20 0 EDADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000092843251 218175041 /nfs/dbraw/zinc/17/50/41/218175041.db2.gz IIPTUJISWBUZFI-MRXNPFEDSA-N 2 2 334.445 1.386 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)c1 ZINC000093079268 218191807 /nfs/dbraw/zinc/19/18/07/218191807.db2.gz HSCWHXDPDFJUGF-UHFFFAOYSA-N 2 2 332.429 1.573 20 0 EDADLP Cn1nncc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000093104884 218194735 /nfs/dbraw/zinc/19/47/35/218194735.db2.gz RWAMNQBTKAKZCN-UHFFFAOYSA-N 2 2 328.464 1.065 20 0 EDADLP Cn1nncc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000093104884 218194738 /nfs/dbraw/zinc/19/47/38/218194738.db2.gz RWAMNQBTKAKZCN-UHFFFAOYSA-N 2 2 328.464 1.065 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093412954 218222209 /nfs/dbraw/zinc/22/22/09/218222209.db2.gz DSFYLKRBDFUCIP-UHFFFAOYSA-N 2 2 329.448 1.750 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093412954 218222211 /nfs/dbraw/zinc/22/22/11/218222211.db2.gz DSFYLKRBDFUCIP-UHFFFAOYSA-N 2 2 329.448 1.750 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415417676 304218635 /nfs/dbraw/zinc/21/86/35/304218635.db2.gz WHAACSNRQLNCOU-NSHDSACASA-N 2 2 343.431 1.361 20 0 EDADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261594399 139209463 /nfs/dbraw/zinc/20/94/63/139209463.db2.gz NOPDGECSBMQURU-AEFFLSMTSA-N 2 2 331.460 1.393 20 0 EDADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261594399 139209464 /nfs/dbraw/zinc/20/94/64/139209464.db2.gz NOPDGECSBMQURU-AEFFLSMTSA-N 2 2 331.460 1.393 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1c1ccccc1 ZINC000261608158 139210412 /nfs/dbraw/zinc/21/04/12/139210412.db2.gz BLZXRCMTRGVRMM-QLFBSQMISA-N 2 2 341.377 1.824 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1c1ccccc1 ZINC000261608158 139210413 /nfs/dbraw/zinc/21/04/13/139210413.db2.gz BLZXRCMTRGVRMM-QLFBSQMISA-N 2 2 341.377 1.824 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261610398 139210791 /nfs/dbraw/zinc/21/07/91/139210791.db2.gz BEUUBHQWZOWSKM-WBVHZDCISA-N 2 2 333.432 1.272 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1)[NH+]1CCOCC1 ZINC000261611442 139210827 /nfs/dbraw/zinc/21/08/27/139210827.db2.gz BGZQGKQXSVADAK-RDTXWAMCSA-N 2 2 347.459 1.772 20 0 EDADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000261667732 139215760 /nfs/dbraw/zinc/21/57/60/139215760.db2.gz FZPCXROIHAUGBA-MRXNPFEDSA-N 2 2 336.399 1.393 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)O1 ZINC000261713856 139219741 /nfs/dbraw/zinc/21/97/41/139219741.db2.gz IWQPVTIOYGKWKX-CJNGLKHVSA-N 2 2 330.388 1.407 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2[nH+]ccn2CCCc2ccccc2)O1 ZINC000261723423 139220623 /nfs/dbraw/zinc/22/06/23/139220623.db2.gz CMXTUZXOTYGJPT-SJORKVTESA-N 2 2 342.443 1.638 20 0 EDADLP [NH3+][C@@H]1C[N@H+](CCc2nnnn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261717968 139220156 /nfs/dbraw/zinc/22/01/56/139220156.db2.gz KVUJSDFRJHHMBD-ZWKOTPCHSA-N 2 2 334.427 1.632 20 0 EDADLP [NH3+][C@@H]1C[N@@H+](CCc2nnnn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261717968 139220157 /nfs/dbraw/zinc/22/01/57/139220157.db2.gz KVUJSDFRJHHMBD-ZWKOTPCHSA-N 2 2 334.427 1.632 20 0 EDADLP Cc1cc(C)c(NC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000261718460 139220215 /nfs/dbraw/zinc/22/02/15/139220215.db2.gz QHPZGLWEIKIHNA-QGZVFWFLSA-N 2 2 330.476 1.530 20 0 EDADLP COCC1(CNC(=O)Cn2c(C)[nH+]c3ccccc32)CC[NH2+]CC1 ZINC000261760390 139223607 /nfs/dbraw/zinc/22/36/07/139223607.db2.gz QASCDRICFWRXBI-UHFFFAOYSA-N 2 2 330.432 1.477 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@@H]3C[NH2+]CCO3)n2)c1 ZINC000261763245 139223960 /nfs/dbraw/zinc/22/39/60/139223960.db2.gz MODUBFHEVRTNNI-HNNXBMFYSA-N 2 2 330.388 1.230 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261806926 139227681 /nfs/dbraw/zinc/22/76/81/139227681.db2.gz WMFLEBIERZUARG-SJKOYZFVSA-N 2 2 325.403 1.683 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261806926 139227682 /nfs/dbraw/zinc/22/76/82/139227682.db2.gz WMFLEBIERZUARG-SJKOYZFVSA-N 2 2 325.403 1.683 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261842163 139230732 /nfs/dbraw/zinc/23/07/32/139230732.db2.gz ZZMADEWIEVVVHT-LIRRHRJNSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261842163 139230733 /nfs/dbraw/zinc/23/07/33/139230733.db2.gz ZZMADEWIEVVVHT-LIRRHRJNSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000261932015 139238232 /nfs/dbraw/zinc/23/82/32/139238232.db2.gz ZYCNLZJJZFYRPT-MRXNPFEDSA-N 2 2 348.838 1.530 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000261932015 139238233 /nfs/dbraw/zinc/23/82/33/139238233.db2.gz ZYCNLZJJZFYRPT-MRXNPFEDSA-N 2 2 348.838 1.530 20 0 EDADLP O=C1[C@H](N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000261961140 139240165 /nfs/dbraw/zinc/24/01/65/139240165.db2.gz PHHQINCRTGURSA-IEBWSBKVSA-N 2 2 342.487 1.409 20 0 EDADLP CCOC(=O)c1cnc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000262035770 139245564 /nfs/dbraw/zinc/24/55/64/139245564.db2.gz XRUCVNSMLKHOSQ-ZDUSSCGKSA-N 2 2 338.477 1.441 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC000262063320 139247802 /nfs/dbraw/zinc/24/78/02/139247802.db2.gz RKAQTIBYOKJYFO-KRWDZBQOSA-N 2 2 341.459 1.692 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nccn1-c1ccccc1 ZINC000262063320 139247803 /nfs/dbraw/zinc/24/78/03/139247803.db2.gz RKAQTIBYOKJYFO-KRWDZBQOSA-N 2 2 341.459 1.692 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@H]1CCC[NH2+]C1)CC2 ZINC000262177779 139257578 /nfs/dbraw/zinc/25/75/78/139257578.db2.gz IKTXVCRZCTWSKI-AWEZNQCLSA-N 2 2 347.459 1.178 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@H]1CCC[NH2+]C1)CC2 ZINC000262177779 139257579 /nfs/dbraw/zinc/25/75/79/139257579.db2.gz IKTXVCRZCTWSKI-AWEZNQCLSA-N 2 2 347.459 1.178 20 0 EDADLP [NH3+]CC[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C(F)(F)F ZINC000415995613 251044232 /nfs/dbraw/zinc/04/42/32/251044232.db2.gz NKBJWZFTTXPWKF-NSHDSACASA-N 2 2 329.326 1.456 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000417023739 251137407 /nfs/dbraw/zinc/13/74/07/251137407.db2.gz WJGGWQIJLMQKMS-MCIONIFRSA-N 2 2 332.439 1.651 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416996516 251122920 /nfs/dbraw/zinc/12/29/20/251122920.db2.gz WVCKKXLPRCUXCF-SOUVJXGZSA-N 2 2 349.479 1.350 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000416994562 251123348 /nfs/dbraw/zinc/12/33/48/251123348.db2.gz JUJLHNWWMUHKEE-DLBZAZTESA-N 2 2 334.464 1.405 20 0 EDADLP CO[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](C[NH3+])C1 ZINC000417272065 251151633 /nfs/dbraw/zinc/15/16/33/251151633.db2.gz UNDOSGBRZZZEPF-CVEARBPZSA-N 2 2 343.431 1.520 20 0 EDADLP Cc1ccc(N)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000262366349 139273515 /nfs/dbraw/zinc/27/35/15/139273515.db2.gz LGTJFTPONPKODR-UHFFFAOYSA-N 2 2 330.476 1.866 20 0 EDADLP COCC1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000262377665 139274479 /nfs/dbraw/zinc/27/44/79/139274479.db2.gz NNQXKVOTQRQDAC-UHFFFAOYSA-N 2 2 342.443 1.564 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C1C[NH2+]C1 ZINC000262401272 139276430 /nfs/dbraw/zinc/27/64/30/139276430.db2.gz PPHXFJJIILRMIZ-HZSPNIEDSA-N 2 2 332.448 1.167 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC(F)(F)C[NH3+])c1c(F)cccc1F ZINC000417653871 251214439 /nfs/dbraw/zinc/21/44/39/251214439.db2.gz BPXOZYMNSLILIH-LLVKDONJSA-N 2 2 336.333 1.461 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000417657751 251216086 /nfs/dbraw/zinc/21/60/86/251216086.db2.gz IEYCVVSVCXWNDG-AWEZNQCLSA-N 2 2 326.391 1.619 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262517842 139283819 /nfs/dbraw/zinc/28/38/19/139283819.db2.gz KJTKCNMITPYFBD-QFBILLFUSA-N 2 2 344.459 1.314 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000422875337 252007824 /nfs/dbraw/zinc/00/78/24/252007824.db2.gz DULRFNKQXWXMGR-OALUTQOASA-N 3 2 344.503 1.681 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000422891561 252014201 /nfs/dbraw/zinc/01/42/01/252014201.db2.gz VWDNQFRCHYYAIH-KSSFIOAISA-N 2 2 331.460 1.966 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000422891561 252014204 /nfs/dbraw/zinc/01/42/04/252014204.db2.gz VWDNQFRCHYYAIH-KSSFIOAISA-N 2 2 331.460 1.966 20 0 EDADLP C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422862558 252002956 /nfs/dbraw/zinc/00/29/56/252002956.db2.gz QDNMROZUZXWJBL-CJNGLKHVSA-N 2 2 326.462 1.589 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179537 252044440 /nfs/dbraw/zinc/04/44/40/252044440.db2.gz MLFSTFZOKGQFFV-HKUYNNGSSA-N 3 2 331.508 1.177 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179537 252044444 /nfs/dbraw/zinc/04/44/44/252044444.db2.gz MLFSTFZOKGQFFV-HKUYNNGSSA-N 3 2 331.508 1.177 20 0 EDADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423513194 252057682 /nfs/dbraw/zinc/05/76/82/252057682.db2.gz QWWQMHHHNYTECT-WQUXRXDGSA-N 3 2 330.520 1.751 20 0 EDADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423513194 252057685 /nfs/dbraw/zinc/05/76/85/252057685.db2.gz QWWQMHHHNYTECT-WQUXRXDGSA-N 3 2 330.520 1.751 20 0 EDADLP C[C@H]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000423994542 252110494 /nfs/dbraw/zinc/11/04/94/252110494.db2.gz IOSOBNRFVOYZEZ-RDJZCZTQSA-N 2 2 331.460 1.576 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423838760 252086390 /nfs/dbraw/zinc/08/63/90/252086390.db2.gz XVMSIOKZDJAUOP-RDJZCZTQSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)CCOC2C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423838760 252086394 /nfs/dbraw/zinc/08/63/94/252086394.db2.gz XVMSIOKZDJAUOP-RDJZCZTQSA-N 2 2 339.386 1.205 20 0 EDADLP [NH3+][C@@H](CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)CC1CCCCC1 ZINC000424135429 252137837 /nfs/dbraw/zinc/13/78/37/252137837.db2.gz PFOVUJSXHAXKDU-ROUUACIJSA-N 2 2 337.508 1.997 20 0 EDADLP Cc1cc(CN2CC[NH+](C[C@H](C[NH3+])c3ccc(F)cc3)CC2)no1 ZINC000424305870 252193681 /nfs/dbraw/zinc/19/36/81/252193681.db2.gz TZBPMQFDTOADBQ-INIZCTEOSA-N 2 2 332.423 1.982 20 0 EDADLP CC(=O)Nc1cccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000424697729 252261376 /nfs/dbraw/zinc/26/13/76/252261376.db2.gz DRLKNTFVCMDGSC-UHFFFAOYSA-N 2 2 346.475 1.330 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000263299926 139334242 /nfs/dbraw/zinc/33/42/42/139334242.db2.gz WXYGXDCICKMGDY-LKFCYVNXSA-N 2 2 342.230 1.244 20 0 EDADLP COc1ccc([C@@H](NC(=O)/C=C\C[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000491641991 255136472 /nfs/dbraw/zinc/13/64/72/255136472.db2.gz LSHBNTUCDBTJBQ-KEGWNNHHSA-N 2 2 328.416 1.752 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)[C@H](C[NH3+])C1 ZINC000493414090 255207699 /nfs/dbraw/zinc/20/76/99/255207699.db2.gz BKVNYNYHVWUFOP-QAVQXKDTSA-N 2 2 337.807 1.183 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)[C@H](C[NH3+])C1 ZINC000493414090 255207700 /nfs/dbraw/zinc/20/77/00/255207700.db2.gz BKVNYNYHVWUFOP-QAVQXKDTSA-N 2 2 337.807 1.183 20 0 EDADLP CC[C@H]1CN(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000494446462 255251028 /nfs/dbraw/zinc/25/10/28/255251028.db2.gz NUVTZDSEUSZPLI-IBGZPJMESA-N 2 2 332.492 1.746 20 0 EDADLP CN(C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CC([NH3+])C1 ZINC000415792302 304272072 /nfs/dbraw/zinc/27/20/72/304272072.db2.gz RZANVSJYDKBILM-UHFFFAOYSA-N 2 2 340.383 1.761 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000496323610 255380904 /nfs/dbraw/zinc/38/09/04/255380904.db2.gz HVZHSTVBZCTTRS-KRWDZBQOSA-N 2 2 335.448 1.807 20 0 EDADLP CN(C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1)C(=O)OC(C)(C)C ZINC000496229919 255367152 /nfs/dbraw/zinc/36/71/52/255367152.db2.gz VIFXWUZKFDKHQO-OAHLLOKOSA-N 2 2 338.452 1.748 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496235774 255368151 /nfs/dbraw/zinc/36/81/51/255368151.db2.gz TZUCDDJQYASGOU-OAGGEKHMSA-N 2 2 341.496 1.488 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496235774 255368152 /nfs/dbraw/zinc/36/81/52/255368152.db2.gz TZUCDDJQYASGOU-OAGGEKHMSA-N 2 2 341.496 1.488 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496235774 255368153 /nfs/dbraw/zinc/36/81/53/255368153.db2.gz TZUCDDJQYASGOU-OAGGEKHMSA-N 2 2 341.496 1.488 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000496235774 255368154 /nfs/dbraw/zinc/36/81/54/255368154.db2.gz TZUCDDJQYASGOU-OAGGEKHMSA-N 2 2 341.496 1.488 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCOCC1 ZINC000154721385 224295162 /nfs/dbraw/zinc/29/51/62/224295162.db2.gz YYQGRQFUYDKAAD-YJJAZYOBSA-N 2 2 349.519 1.819 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCOCC1 ZINC000154721385 224295164 /nfs/dbraw/zinc/29/51/64/224295164.db2.gz YYQGRQFUYDKAAD-YJJAZYOBSA-N 2 2 349.519 1.819 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000119537981 221342517 /nfs/dbraw/zinc/34/25/17/221342517.db2.gz JAYZLIDXLGCGBZ-OAHLLOKOSA-N 2 2 330.432 1.937 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1(C)C ZINC000416052649 304287635 /nfs/dbraw/zinc/28/76/35/304287635.db2.gz VCIFGBNNNSNCQM-NXEZZACHSA-N 2 2 333.358 1.792 20 0 EDADLP Cn1c(SCCn2cc[nH+]c2)nnc1SCCn1cc[nH+]c1 ZINC000270491330 140110253 /nfs/dbraw/zinc/11/02/53/140110253.db2.gz CZTNGCCKXLZSFQ-UHFFFAOYSA-N 2 2 335.462 1.793 20 0 EDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000270535746 140118879 /nfs/dbraw/zinc/11/88/79/140118879.db2.gz AGNWGDJZXKJZLT-AWEZNQCLSA-N 2 2 327.432 1.696 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000270607181 140133388 /nfs/dbraw/zinc/13/33/88/140133388.db2.gz BUDHOBHSBWHEII-GDBMZVCRSA-N 2 2 349.385 1.943 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000270607181 140133389 /nfs/dbraw/zinc/13/33/89/140133389.db2.gz BUDHOBHSBWHEII-GDBMZVCRSA-N 2 2 349.385 1.943 20 0 EDADLP Cc1nn(C)c(C)c1CN1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000270609054 140133749 /nfs/dbraw/zinc/13/37/49/140133749.db2.gz HVROICGMVMJNRP-UHFFFAOYSA-N 2 2 330.480 1.750 20 0 EDADLP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271698867 140335916 /nfs/dbraw/zinc/33/59/16/140335916.db2.gz CGVHHDYGPCTIGK-HUUCEWRRSA-N 2 2 330.432 1.697 20 0 EDADLP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271698867 140335917 /nfs/dbraw/zinc/33/59/17/140335917.db2.gz CGVHHDYGPCTIGK-HUUCEWRRSA-N 2 2 330.432 1.697 20 0 EDADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571985071 306578612 /nfs/dbraw/zinc/57/86/12/306578612.db2.gz WADMJHXDDSDVRR-JYYAWHABSA-N 2 2 330.432 1.632 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)c[nH+]2)C[C@H](C)O1 ZINC000331839407 141087147 /nfs/dbraw/zinc/08/71/47/141087147.db2.gz CWMUEYYCEXSTDR-LZWOXQAQSA-N 2 2 332.448 1.406 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)c[nH+]2)C[C@H](C)O1 ZINC000331839407 141087149 /nfs/dbraw/zinc/08/71/49/141087149.db2.gz CWMUEYYCEXSTDR-LZWOXQAQSA-N 2 2 332.448 1.406 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333575455 141339499 /nfs/dbraw/zinc/33/94/99/141339499.db2.gz SOJFDWMIIZDRJJ-ZFWWWQNUSA-N 2 2 338.477 1.125 20 0 EDADLP c1[nH+]cn2c1C[C@H](c1nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)CC2 ZINC000333749420 141372868 /nfs/dbraw/zinc/37/28/68/141372868.db2.gz SQRZCSAYHMSYRU-UMVBOHGHSA-N 2 2 329.404 1.922 20 0 EDADLP c1[nH+]cn2c1C[C@H](c1nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no1)CC2 ZINC000333749420 141372870 /nfs/dbraw/zinc/37/28/70/141372870.db2.gz SQRZCSAYHMSYRU-UMVBOHGHSA-N 2 2 329.404 1.922 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1 ZINC000339657520 142109870 /nfs/dbraw/zinc/10/98/70/142109870.db2.gz FMPMEFVWOZXQNM-UHFFFAOYSA-N 2 2 347.507 1.701 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000340181375 142294628 /nfs/dbraw/zinc/29/46/28/142294628.db2.gz KXNVZOICEIDGCP-MRXNPFEDSA-N 2 2 333.476 1.817 20 0 EDADLP CC[C@H](C[C@@H](C)CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340250198 142319662 /nfs/dbraw/zinc/31/96/62/142319662.db2.gz IGOPSKZCRHRFRB-HUUCEWRRSA-N 2 2 328.501 1.109 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC=C(C(F)(F)F)CC2)CC1 ZINC000340251640 142319886 /nfs/dbraw/zinc/31/98/86/142319886.db2.gz TZWYSLZYALXYFW-UHFFFAOYSA-N 2 2 348.413 1.916 20 0 EDADLP CS[C@@H]1CCC[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000340254136 142321048 /nfs/dbraw/zinc/32/10/48/142321048.db2.gz SOGHPDSMGNTGKY-GOEBONIOSA-N 2 2 342.553 1.986 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@H]1C ZINC000340324802 142341988 /nfs/dbraw/zinc/34/19/88/142341988.db2.gz KMUDXGIEKBNRNS-KGLIPLIRSA-N 2 2 343.431 1.522 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@H]1C ZINC000340324802 142341990 /nfs/dbraw/zinc/34/19/90/142341990.db2.gz KMUDXGIEKBNRNS-KGLIPLIRSA-N 2 2 343.431 1.522 20 0 EDADLP Cc1c[nH+]c(CNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1C ZINC000342865061 142763457 /nfs/dbraw/zinc/76/34/57/142763457.db2.gz XEZOLWPYPOAKJL-UHFFFAOYSA-N 2 2 327.432 1.728 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@@H+](C2CCC2)C1 ZINC000344767905 143009632 /nfs/dbraw/zinc/00/96/32/143009632.db2.gz GEAXFTCGKDONRB-QFBILLFUSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@H+](C2CCC2)C1 ZINC000344767905 143009633 /nfs/dbraw/zinc/00/96/33/143009633.db2.gz GEAXFTCGKDONRB-QFBILLFUSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344767905 143009634 /nfs/dbraw/zinc/00/96/34/143009634.db2.gz GEAXFTCGKDONRB-QFBILLFUSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344767905 143009635 /nfs/dbraw/zinc/00/96/35/143009635.db2.gz GEAXFTCGKDONRB-QFBILLFUSA-N 2 2 349.519 1.963 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000344980271 143034500 /nfs/dbraw/zinc/03/45/00/143034500.db2.gz OCWGHOPBVJIPQU-GOEBONIOSA-N 2 2 336.480 1.982 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000344980271 143034501 /nfs/dbraw/zinc/03/45/01/143034501.db2.gz OCWGHOPBVJIPQU-GOEBONIOSA-N 2 2 336.480 1.982 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)c[nH+]1 ZINC000345099758 143050208 /nfs/dbraw/zinc/05/02/08/143050208.db2.gz DZRYLIWPIBTVEG-YJBOKZPZSA-N 2 2 327.432 1.618 20 0 EDADLP Cc1cnc(CC[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c(C)c1 ZINC000572515149 306592020 /nfs/dbraw/zinc/59/20/20/306592020.db2.gz NYUASTZRIIEEGD-UHFFFAOYSA-N 2 2 340.475 1.919 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345302462 143075263 /nfs/dbraw/zinc/07/52/63/143075263.db2.gz CPZYGSPXAMJXFC-DZVNLGKHSA-N 2 2 337.508 1.863 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345302462 143075264 /nfs/dbraw/zinc/07/52/64/143075264.db2.gz CPZYGSPXAMJXFC-DZVNLGKHSA-N 2 2 337.508 1.863 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2CS(=O)(=O)C2)[C@@H](C)C1 ZINC000345635964 143114882 /nfs/dbraw/zinc/11/48/82/143114882.db2.gz JCIADTDTVJMSFH-HOCLYGCPSA-N 2 2 332.510 1.148 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CS(=O)(=O)C2)[C@@H](C)C1 ZINC000345635964 143114883 /nfs/dbraw/zinc/11/48/83/143114883.db2.gz JCIADTDTVJMSFH-HOCLYGCPSA-N 2 2 332.510 1.148 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345797038 143134515 /nfs/dbraw/zinc/13/45/15/143134515.db2.gz XAVIVOPTHVALPW-UHFFFAOYSA-N 2 2 340.427 1.651 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000346303966 143189387 /nfs/dbraw/zinc/18/93/87/143189387.db2.gz GOELDDHSJIANPR-UHFFFAOYSA-N 3 2 349.523 1.608 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](F)C[C@H]3CO)CC2)c1 ZINC000346346688 143194503 /nfs/dbraw/zinc/19/45/03/143194503.db2.gz ARROIACXCSZRCD-MSOLQXFVSA-N 2 2 349.450 1.044 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](F)C[C@H]3CO)CC2)c1 ZINC000346346688 143194504 /nfs/dbraw/zinc/19/45/04/143194504.db2.gz ARROIACXCSZRCD-MSOLQXFVSA-N 2 2 349.450 1.044 20 0 EDADLP OC[C@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C[NH+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000346357800 143196004 /nfs/dbraw/zinc/19/60/04/143196004.db2.gz BGLIROAZOWNKQI-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP OC[C@H]1C[C@H](F)C[N@H+]1Cc1ccc(C[NH+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000346357800 143196005 /nfs/dbraw/zinc/19/60/05/143196005.db2.gz BGLIROAZOWNKQI-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP OC[C@H]1C[C@H](F)C[NH+]1Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000346357800 143196007 /nfs/dbraw/zinc/19/60/07/143196007.db2.gz BGLIROAZOWNKQI-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000346496699 143211014 /nfs/dbraw/zinc/21/10/14/143211014.db2.gz MZSWBWMDOTYTSO-UHFFFAOYSA-N 2 2 331.376 1.025 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000346496699 143211015 /nfs/dbraw/zinc/21/10/15/143211015.db2.gz MZSWBWMDOTYTSO-UHFFFAOYSA-N 2 2 331.376 1.025 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000346589734 143219477 /nfs/dbraw/zinc/21/94/77/143219477.db2.gz DQXDHCJIFOVQFQ-SFHVURJKSA-N 2 2 333.480 1.973 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc3c(cc2OCCOC)OCO3)C1 ZINC000346999353 143269692 /nfs/dbraw/zinc/26/96/92/143269692.db2.gz GAVWFGQCUXNIQZ-AWEZNQCLSA-N 2 2 336.432 1.872 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2OCCOC)OCO3)C1 ZINC000346999353 143269693 /nfs/dbraw/zinc/26/96/93/143269693.db2.gz GAVWFGQCUXNIQZ-AWEZNQCLSA-N 2 2 336.432 1.872 20 0 EDADLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2nc(C3CC3)no2)CC1 ZINC000347585452 143337709 /nfs/dbraw/zinc/33/77/09/143337709.db2.gz UQSJLQRVKWSKSD-UHFFFAOYSA-N 2 2 335.452 1.361 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](CNC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000347869294 143372561 /nfs/dbraw/zinc/37/25/61/143372561.db2.gz VCNBEYOZBMPCEI-YOEHRIQHSA-N 2 2 330.436 1.206 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](CNC(=O)CCn2cc[nH+]c2)CCC[N@H+]1C ZINC000347869294 143372562 /nfs/dbraw/zinc/37/25/62/143372562.db2.gz VCNBEYOZBMPCEI-YOEHRIQHSA-N 2 2 330.436 1.206 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCC(F)(F)F)C2)CC1 ZINC000369788381 155177463 /nfs/dbraw/zinc/17/74/63/155177463.db2.gz DXUFZKPBHOQSAW-GFCCVEGCSA-N 2 2 336.402 1.797 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCC(F)(F)F)C2)CC1 ZINC000369788381 155177467 /nfs/dbraw/zinc/17/74/67/155177467.db2.gz DXUFZKPBHOQSAW-GFCCVEGCSA-N 2 2 336.402 1.797 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000369819505 155189149 /nfs/dbraw/zinc/18/91/49/155189149.db2.gz OJMKEQZRVAINPV-CQSZACIVSA-N 2 2 334.464 1.429 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000369819505 155189153 /nfs/dbraw/zinc/18/91/53/155189153.db2.gz OJMKEQZRVAINPV-CQSZACIVSA-N 2 2 334.464 1.429 20 0 EDADLP CN1CC[NH+](C2(C(=O)N3CC[NH+](CC4CC4)CC3)CCCC2)CC1 ZINC000369883884 155218685 /nfs/dbraw/zinc/21/86/85/155218685.db2.gz WHGCKILYCRTDBZ-UHFFFAOYSA-N 2 2 334.508 1.101 20 0 EDADLP C[NH+]1CCN(C2(C(=O)N3CC[NH+](CC4CC4)CC3)CCCC2)CC1 ZINC000369883884 155218689 /nfs/dbraw/zinc/21/86/89/155218689.db2.gz WHGCKILYCRTDBZ-UHFFFAOYSA-N 2 2 334.508 1.101 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1C ZINC000369895840 155220746 /nfs/dbraw/zinc/22/07/46/155220746.db2.gz MUJBOFSMSJPWCG-HOCLYGCPSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1C ZINC000369895840 155220747 /nfs/dbraw/zinc/22/07/47/155220747.db2.gz MUJBOFSMSJPWCG-HOCLYGCPSA-N 2 2 342.447 1.891 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369913126 155228620 /nfs/dbraw/zinc/22/86/20/155228620.db2.gz PVYZPNPPHZJEGP-JYJNAYRXSA-N 2 2 348.443 1.752 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369913126 155228626 /nfs/dbraw/zinc/22/86/26/155228626.db2.gz PVYZPNPPHZJEGP-JYJNAYRXSA-N 2 2 348.443 1.752 20 0 EDADLP CCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cn1 ZINC000353044463 149265376 /nfs/dbraw/zinc/26/53/76/149265376.db2.gz FTFXOXXISJJXFL-ALOPSCKCSA-N 2 2 333.480 1.466 20 0 EDADLP CCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cn1 ZINC000353044463 149265379 /nfs/dbraw/zinc/26/53/79/149265379.db2.gz FTFXOXXISJJXFL-ALOPSCKCSA-N 2 2 333.480 1.466 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000416961844 304355989 /nfs/dbraw/zinc/35/59/89/304355989.db2.gz SNZIYQRKLGQYSL-QGZVFWFLSA-N 2 2 341.459 1.867 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354897450 150018315 /nfs/dbraw/zinc/01/83/15/150018315.db2.gz JYXGBLJBCMZSOY-LSDHHAIUSA-N 2 2 327.469 1.154 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354897450 150018317 /nfs/dbraw/zinc/01/83/17/150018317.db2.gz JYXGBLJBCMZSOY-LSDHHAIUSA-N 2 2 327.469 1.154 20 0 EDADLP COCC(C)(C)C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354912173 150027076 /nfs/dbraw/zinc/02/70/76/150027076.db2.gz BETWWPDTEBCYGA-HUUCEWRRSA-N 2 2 326.460 1.937 20 0 EDADLP COCC(C)(C)C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354912173 150027079 /nfs/dbraw/zinc/02/70/79/150027079.db2.gz BETWWPDTEBCYGA-HUUCEWRRSA-N 2 2 326.460 1.937 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@@H](C[NH3+])C1 ZINC000416980142 304360296 /nfs/dbraw/zinc/36/02/96/304360296.db2.gz YEMYUZAOAWWLFQ-GOEBONIOSA-N 2 2 331.464 1.951 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354947335 150048496 /nfs/dbraw/zinc/04/84/96/150048496.db2.gz MJUQZWABXJAGCM-DNVCBOLYSA-N 2 2 327.472 1.953 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354947335 150048497 /nfs/dbraw/zinc/04/84/97/150048497.db2.gz MJUQZWABXJAGCM-DNVCBOLYSA-N 2 2 327.472 1.953 20 0 EDADLP CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355049413 150092206 /nfs/dbraw/zinc/09/22/06/150092206.db2.gz HEINQCBEEXSYFD-MJGOQNOKSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@]1(C)COCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355049413 150092211 /nfs/dbraw/zinc/09/22/11/150092211.db2.gz HEINQCBEEXSYFD-MJGOQNOKSA-N 2 2 333.476 1.906 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000357599547 151080972 /nfs/dbraw/zinc/08/09/72/151080972.db2.gz NERWBAFVMCMPNY-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000357599547 151080975 /nfs/dbraw/zinc/08/09/75/151080975.db2.gz NERWBAFVMCMPNY-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000357599547 151080976 /nfs/dbraw/zinc/08/09/76/151080976.db2.gz NERWBAFVMCMPNY-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000357599547 151080980 /nfs/dbraw/zinc/08/09/80/151080980.db2.gz NERWBAFVMCMPNY-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000357602870 151081567 /nfs/dbraw/zinc/08/15/67/151081567.db2.gz HXCKVTNQKYSZTD-UHFFFAOYSA-N 2 2 348.447 1.753 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1Cl ZINC000357643685 151097873 /nfs/dbraw/zinc/09/78/73/151097873.db2.gz GSXNCODCVPJWGB-UHFFFAOYSA-N 2 2 339.867 1.975 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)cc1Cl ZINC000357643685 151097874 /nfs/dbraw/zinc/09/78/74/151097874.db2.gz GSXNCODCVPJWGB-UHFFFAOYSA-N 2 2 339.867 1.975 20 0 EDADLP CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653268 151103249 /nfs/dbraw/zinc/10/32/49/151103249.db2.gz VSVPBQDULUGTOQ-HNNXBMFYSA-N 2 2 349.475 1.801 20 0 EDADLP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653268 151103252 /nfs/dbraw/zinc/10/32/52/151103252.db2.gz VSVPBQDULUGTOQ-HNNXBMFYSA-N 2 2 349.475 1.801 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCCC(C)(C)CC1)[NH+]1CCOCC1 ZINC000357775685 151147779 /nfs/dbraw/zinc/14/77/79/151147779.db2.gz QMEBRHVGCWRGDN-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCCC(C)(C)CC1)[NH+]1CCOCC1 ZINC000357775685 151147782 /nfs/dbraw/zinc/14/77/82/151147782.db2.gz QMEBRHVGCWRGDN-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358168695 151294750 /nfs/dbraw/zinc/29/47/50/151294750.db2.gz PFDNKRGTFIPENH-OAHLLOKOSA-N 2 2 342.365 1.748 20 0 EDADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358168695 151294753 /nfs/dbraw/zinc/29/47/53/151294753.db2.gz PFDNKRGTFIPENH-OAHLLOKOSA-N 2 2 342.365 1.748 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@]2(C)CCCOC2)([NH+]2CCCCC2)CC1 ZINC000358183879 151298364 /nfs/dbraw/zinc/29/83/64/151298364.db2.gz ODWMZVRUUQUZRH-SFHVURJKSA-N 2 2 337.508 1.870 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000358228801 151312981 /nfs/dbraw/zinc/31/29/81/151312981.db2.gz VVHNNCGOFLLSBO-GOSISDBHSA-N 2 2 331.460 1.488 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417085231 304371763 /nfs/dbraw/zinc/37/17/63/304371763.db2.gz ZDAXUQGDHHFTES-DLBZAZTESA-N 2 2 327.432 1.858 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)[C@@H](C)C1 ZINC000358343769 151343709 /nfs/dbraw/zinc/34/37/09/151343709.db2.gz ULVTYJFGDHBXCW-FZMZJTMJSA-N 2 2 345.534 1.573 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)[C@@H](C)C1 ZINC000358343769 151343711 /nfs/dbraw/zinc/34/37/11/151343711.db2.gz ULVTYJFGDHBXCW-FZMZJTMJSA-N 2 2 345.534 1.573 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(C)s1 ZINC000358343152 151344149 /nfs/dbraw/zinc/34/41/49/151344149.db2.gz ROGVCQLOYGUNJU-ZWNOBZJWSA-N 2 2 331.507 1.183 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(C)s1 ZINC000358343152 151344151 /nfs/dbraw/zinc/34/41/51/151344151.db2.gz ROGVCQLOYGUNJU-ZWNOBZJWSA-N 2 2 331.507 1.183 20 0 EDADLP CC(=O)c1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000360451022 152049994 /nfs/dbraw/zinc/04/99/94/152049994.db2.gz YVRRRENDHWYLJI-HNNXBMFYSA-N 2 2 329.444 1.788 20 0 EDADLP CC(=O)c1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000360451022 152049996 /nfs/dbraw/zinc/04/99/96/152049996.db2.gz YVRRRENDHWYLJI-HNNXBMFYSA-N 2 2 329.444 1.788 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000360943715 152259680 /nfs/dbraw/zinc/25/96/80/152259680.db2.gz YEEWLGLXKDHGKF-QGZVFWFLSA-N 2 2 349.450 1.614 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000360943715 152259681 /nfs/dbraw/zinc/25/96/81/152259681.db2.gz YEEWLGLXKDHGKF-QGZVFWFLSA-N 2 2 349.450 1.614 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361028791 152283368 /nfs/dbraw/zinc/28/33/68/152283368.db2.gz GOWNYRPKYPOUDD-UHFFFAOYSA-N 2 2 349.479 1.417 20 0 EDADLP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC)cc1 ZINC000361085217 152298399 /nfs/dbraw/zinc/29/83/99/152298399.db2.gz MSHQDLZYJCRPGG-GOSISDBHSA-N 2 2 333.476 1.865 20 0 EDADLP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC)cc1 ZINC000361085217 152298400 /nfs/dbraw/zinc/29/84/00/152298400.db2.gz MSHQDLZYJCRPGG-GOSISDBHSA-N 2 2 333.476 1.865 20 0 EDADLP C[C@H]1CN(Cc2cn(C)nc2C(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000361144973 152319431 /nfs/dbraw/zinc/31/94/31/152319431.db2.gz MYKRFLXWVYGECH-ZDUSSCGKSA-N 2 2 341.450 1.958 20 0 EDADLP C[C@H]1CN(Cc2cn(C)nc2C(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000361144973 152319433 /nfs/dbraw/zinc/31/94/33/152319433.db2.gz MYKRFLXWVYGECH-ZDUSSCGKSA-N 2 2 341.450 1.958 20 0 EDADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)o1 ZINC000361154807 152321424 /nfs/dbraw/zinc/32/14/24/152321424.db2.gz NUFYUIUXMCXUFW-LJQANCHMSA-N 2 2 344.411 1.889 20 0 EDADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000361154807 152321426 /nfs/dbraw/zinc/32/14/26/152321426.db2.gz NUFYUIUXMCXUFW-LJQANCHMSA-N 2 2 344.411 1.889 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000361170342 152325691 /nfs/dbraw/zinc/32/56/91/152325691.db2.gz PIYNXBFJLVPFCM-OAHLLOKOSA-N 2 2 331.464 1.793 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000361428151 152391691 /nfs/dbraw/zinc/39/16/91/152391691.db2.gz AQOGKJIGFGZHHS-MJGOQNOKSA-N 2 2 344.503 1.576 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH2+]C[C@H]3CCCn4cc[nH+]c43)C2=O)n(C)n1 ZINC000361450993 152399717 /nfs/dbraw/zinc/39/97/17/152399717.db2.gz QUJDXKRJJLAKLA-ZIAGYGMSSA-N 2 2 328.420 1.198 20 0 EDADLP CCN(C[C@@H](C)OC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000361992065 152578894 /nfs/dbraw/zinc/57/88/94/152578894.db2.gz FDHLNYJIEFTGFY-OAHLLOKOSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH3+])[NH+]2CCOCC2)cc1 ZINC000417189734 304382347 /nfs/dbraw/zinc/38/23/47/304382347.db2.gz YZAZZOSZEOPENU-DOTOQJQBSA-N 2 2 334.464 1.262 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3nc(C)nc3C)C2)CC1 ZINC000363964523 153109960 /nfs/dbraw/zinc/10/99/60/153109960.db2.gz QKYDNZULIGONFG-PBHICJAKSA-N 2 2 348.495 1.084 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](n3nc(C)nc3C)C2)CC1 ZINC000363964523 153109962 /nfs/dbraw/zinc/10/99/62/153109962.db2.gz QKYDNZULIGONFG-PBHICJAKSA-N 2 2 348.495 1.084 20 0 EDADLP CC(C)c1noc(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000364205461 153173114 /nfs/dbraw/zinc/17/31/14/153173114.db2.gz GUFUBQPAGDQBFI-CQSZACIVSA-N 2 2 349.479 1.410 20 0 EDADLP CC(C)c1noc(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000364205461 153173115 /nfs/dbraw/zinc/17/31/15/153173115.db2.gz GUFUBQPAGDQBFI-CQSZACIVSA-N 2 2 349.479 1.410 20 0 EDADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000364214560 153176237 /nfs/dbraw/zinc/17/62/37/153176237.db2.gz LPTXVJFQIZSUGF-WMZOPIPTSA-N 2 2 333.863 1.984 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000364226398 153180404 /nfs/dbraw/zinc/18/04/04/153180404.db2.gz ZWUXMMKJHQWVRK-KRWDZBQOSA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000364226398 153180407 /nfs/dbraw/zinc/18/04/07/153180407.db2.gz ZWUXMMKJHQWVRK-KRWDZBQOSA-N 2 2 341.496 1.057 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCC[NH2+]3)c[nH+]2)CCO1 ZINC000364242430 153183648 /nfs/dbraw/zinc/18/36/48/153183648.db2.gz GSXZVDSSJWAYKU-GDBMZVCRSA-N 2 2 332.448 1.455 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)c[nH+]2)CCO1 ZINC000364252589 153187906 /nfs/dbraw/zinc/18/79/06/153187906.db2.gz ONBROQKVFUZGGQ-HOTGVXAUSA-N 2 2 346.475 1.703 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)CN3CCCC[C@@H]3C(=[NH2+])NO)c2cc1C ZINC000364409596 153230192 /nfs/dbraw/zinc/23/01/92/153230192.db2.gz GCUMGFHZRYNKGR-GDBMZVCRSA-N 2 2 345.447 1.825 20 0 EDADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000364811455 153340089 /nfs/dbraw/zinc/34/00/89/153340089.db2.gz PQXQIHSQGUEVGT-SXLOBPIMSA-N 2 2 347.503 1.759 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364890167 153361807 /nfs/dbraw/zinc/36/18/07/153361807.db2.gz KBMSPYVSEBIWEE-MRXNPFEDSA-N 2 2 348.447 1.355 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364890167 153361810 /nfs/dbraw/zinc/36/18/10/153361810.db2.gz KBMSPYVSEBIWEE-MRXNPFEDSA-N 2 2 348.447 1.355 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000367369815 154091670 /nfs/dbraw/zinc/09/16/70/154091670.db2.gz ICEFKUWLWDZSDY-YJBOKZPZSA-N 2 2 330.432 1.633 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000367369815 154091673 /nfs/dbraw/zinc/09/16/73/154091673.db2.gz ICEFKUWLWDZSDY-YJBOKZPZSA-N 2 2 330.432 1.633 20 0 EDADLP COc1cccc([C@H](NC(=O)C[C@H]2COCC[NH2+]2)c2[nH+]ccn2C)c1 ZINC000367512747 154154522 /nfs/dbraw/zinc/15/45/22/154154522.db2.gz GFCLBXMAAXFHBL-YOEHRIQHSA-N 2 2 344.415 1.013 20 0 EDADLP C[C@@H]1CN(c2ccc(C(=O)N(C)C)cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367536347 154165952 /nfs/dbraw/zinc/16/59/52/154165952.db2.gz SEKDUVKPJQKFFB-OAHLLOKOSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@@H]1CN(c2ccc(C(=O)N(C)C)cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367536347 154165957 /nfs/dbraw/zinc/16/59/57/154165957.db2.gz SEKDUVKPJQKFFB-OAHLLOKOSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)cc[nH+]1 ZINC000367958862 154344271 /nfs/dbraw/zinc/34/42/71/154344271.db2.gz TYCNPOYCCFEXMS-CQSZACIVSA-N 2 2 326.404 1.208 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369566608 155089085 /nfs/dbraw/zinc/08/90/85/155089085.db2.gz CPOPOVQXTOTLDU-PMPSAXMXSA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369566608 155089087 /nfs/dbraw/zinc/08/90/87/155089087.db2.gz CPOPOVQXTOTLDU-PMPSAXMXSA-N 2 2 333.480 1.865 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000371559748 156003123 /nfs/dbraw/zinc/00/31/23/156003123.db2.gz ANLTYQIPXUKIQM-IBGZPJMESA-N 2 2 347.507 1.690 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)c1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000371738013 156085172 /nfs/dbraw/zinc/08/51/72/156085172.db2.gz ZHSJBTCZTWJHAX-UHFFFAOYSA-N 2 2 329.404 1.183 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000372309227 156325000 /nfs/dbraw/zinc/32/50/00/156325000.db2.gz VFQYRGPFDRJRBO-OAHLLOKOSA-N 2 2 335.452 1.031 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000575027495 306662842 /nfs/dbraw/zinc/66/28/42/306662842.db2.gz VPAVLHVWMPYGNF-QGZVFWFLSA-N 2 2 345.491 1.687 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC(=O)NCc1ccco1 ZINC000374211057 157196623 /nfs/dbraw/zinc/19/66/23/157196623.db2.gz XEMQDWWCCFLBBC-UHFFFAOYSA-N 2 2 331.376 1.208 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374255714 157215398 /nfs/dbraw/zinc/21/53/98/157215398.db2.gz SDKNXBHKXFBBQL-INIZCTEOSA-N 2 2 330.476 1.725 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374255714 157215401 /nfs/dbraw/zinc/21/54/01/157215401.db2.gz SDKNXBHKXFBBQL-INIZCTEOSA-N 2 2 330.476 1.725 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374256094 157215923 /nfs/dbraw/zinc/21/59/23/157215923.db2.gz UVWPVBOYCHNEBC-CRAIPNDOSA-N 2 2 343.471 1.790 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374256094 157215925 /nfs/dbraw/zinc/21/59/25/157215925.db2.gz UVWPVBOYCHNEBC-CRAIPNDOSA-N 2 2 343.471 1.790 20 0 EDADLP CC(C)Cc1noc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000374260921 157218513 /nfs/dbraw/zinc/21/85/13/157218513.db2.gz ZOJRUPNOQLXBGM-HNNXBMFYSA-N 2 2 335.496 1.868 20 0 EDADLP CC(C)Cc1noc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000374260921 157218515 /nfs/dbraw/zinc/21/85/15/157218515.db2.gz ZOJRUPNOQLXBGM-HNNXBMFYSA-N 2 2 335.496 1.868 20 0 EDADLP CCCC[C@@H](COC)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000374742912 157384994 /nfs/dbraw/zinc/38/49/94/157384994.db2.gz LEIACNJRUBZWDB-IRXDYDNUSA-N 2 2 341.496 1.104 20 0 EDADLP COC(=O)c1oc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1C ZINC000374758297 157390685 /nfs/dbraw/zinc/39/06/85/157390685.db2.gz GICLNENKBYKXSK-UHFFFAOYSA-N 2 2 349.431 1.113 20 0 EDADLP COC(=O)c1oc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1C ZINC000374758297 157390688 /nfs/dbraw/zinc/39/06/88/157390688.db2.gz GICLNENKBYKXSK-UHFFFAOYSA-N 2 2 349.431 1.113 20 0 EDADLP Oc1ccc(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000378159108 158095827 /nfs/dbraw/zinc/09/58/27/158095827.db2.gz CNSURHTWSVWKFP-UHFFFAOYSA-N 2 2 333.476 1.321 20 0 EDADLP Oc1ccc(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000378159108 158095829 /nfs/dbraw/zinc/09/58/29/158095829.db2.gz CNSURHTWSVWKFP-UHFFFAOYSA-N 2 2 333.476 1.321 20 0 EDADLP c1cn(-c2cccc(N3CC[NH+](CC4CCOCC4)CC3)n2)c[nH+]1 ZINC000378193213 158105193 /nfs/dbraw/zinc/10/51/93/158105193.db2.gz RBESEQDCTQSYSX-UHFFFAOYSA-N 2 2 327.432 1.816 20 0 EDADLP Cc1cc(N2CCC(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc[nH+]1 ZINC000378199574 158106762 /nfs/dbraw/zinc/10/67/62/158106762.db2.gz AJEFVKMIPZFMLU-ZXFUBFMLSA-N 2 2 343.475 1.791 20 0 EDADLP C[C@H]1CN(C(=O)COC2CCCCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378364266 158153310 /nfs/dbraw/zinc/15/33/10/158153310.db2.gz AIWCBRMLVMCYMY-INIZCTEOSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H]1CN(C(=O)COC2CCCCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378364266 158153315 /nfs/dbraw/zinc/15/33/15/158153315.db2.gz AIWCBRMLVMCYMY-INIZCTEOSA-N 2 2 337.508 1.963 20 0 EDADLP Cc1cc(NC(=O)CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)on1 ZINC000378369390 158155892 /nfs/dbraw/zinc/15/58/92/158155892.db2.gz KNOCXYZNOWDPQG-AWEZNQCLSA-N 2 2 335.452 1.022 20 0 EDADLP Cc1cc(NC(=O)CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)on1 ZINC000378369390 158155895 /nfs/dbraw/zinc/15/58/95/158155895.db2.gz KNOCXYZNOWDPQG-AWEZNQCLSA-N 2 2 335.452 1.022 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000378451237 158177777 /nfs/dbraw/zinc/17/77/77/158177777.db2.gz DNVKOBPAICRHRR-CGTJXYLNSA-N 2 2 339.524 1.432 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000378451237 158177784 /nfs/dbraw/zinc/17/77/84/158177784.db2.gz DNVKOBPAICRHRR-CGTJXYLNSA-N 2 2 339.524 1.432 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000352153914 162018187 /nfs/dbraw/zinc/01/81/87/162018187.db2.gz LIKJQXLWNRDJLX-HNNXBMFYSA-N 2 2 337.468 1.418 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H]1CCCc2[nH+]ccn21)[NH+]1CCOCC1 ZINC000352167252 162025733 /nfs/dbraw/zinc/02/57/33/162025733.db2.gz KSLLSZQKNBNLHB-HZPDHXFCSA-N 2 2 334.464 1.624 20 0 EDADLP COC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000352227011 162060576 /nfs/dbraw/zinc/06/05/76/162060576.db2.gz JIQXNVYREWFWAD-HZPDHXFCSA-N 2 2 332.448 1.087 20 0 EDADLP COC[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000352227011 162060579 /nfs/dbraw/zinc/06/05/79/162060579.db2.gz JIQXNVYREWFWAD-HZPDHXFCSA-N 2 2 332.448 1.087 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352235792 162065942 /nfs/dbraw/zinc/06/59/42/162065942.db2.gz ZGEZOPUDFBTDOO-AWEZNQCLSA-N 2 2 348.495 1.358 20 0 EDADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352359683 162138416 /nfs/dbraw/zinc/13/84/16/162138416.db2.gz BLTMMQVQXRYIAB-GOSISDBHSA-N 2 2 344.503 1.846 20 0 EDADLP CC(C)(C)CC[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000352409867 162168284 /nfs/dbraw/zinc/16/82/84/162168284.db2.gz MLUDYKIUCKDRSD-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP C[C@@H](CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)[NH+](C)C ZINC000352486141 162206546 /nfs/dbraw/zinc/20/65/46/162206546.db2.gz MZFAJFMIEBQLEW-XJKSGUPXSA-N 2 2 349.479 1.084 20 0 EDADLP C[C@@H](CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)[NH+](C)C ZINC000352486141 162206548 /nfs/dbraw/zinc/20/65/48/162206548.db2.gz MZFAJFMIEBQLEW-XJKSGUPXSA-N 2 2 349.479 1.084 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352506872 162218950 /nfs/dbraw/zinc/21/89/50/162218950.db2.gz AUAGNXSFMAVEIT-LJQANCHMSA-N 3 2 344.503 1.534 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352506872 162218954 /nfs/dbraw/zinc/21/89/54/162218954.db2.gz AUAGNXSFMAVEIT-LJQANCHMSA-N 3 2 344.503 1.534 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000364458760 162329622 /nfs/dbraw/zinc/32/96/22/162329622.db2.gz OMXIRWMODIHOIK-NVXWUHKLSA-N 2 2 347.459 1.472 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000366452519 162383383 /nfs/dbraw/zinc/38/33/83/162383383.db2.gz MAWQLYABDZTJCK-IKGGRYGDSA-N 2 2 336.480 1.118 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000366452519 162383386 /nfs/dbraw/zinc/38/33/86/162383386.db2.gz MAWQLYABDZTJCK-IKGGRYGDSA-N 2 2 336.480 1.118 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366452519 162383393 /nfs/dbraw/zinc/38/33/93/162383393.db2.gz MAWQLYABDZTJCK-IKGGRYGDSA-N 2 2 336.480 1.118 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366452519 162383397 /nfs/dbraw/zinc/38/33/97/162383397.db2.gz MAWQLYABDZTJCK-IKGGRYGDSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCn3cccn3)CC2)CC1 ZINC000051758803 287221832 /nfs/dbraw/zinc/22/18/32/287221832.db2.gz KDJSYZPXEJKGQR-UHFFFAOYSA-N 2 2 348.495 1.131 20 0 EDADLP COCCC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000066378235 287243384 /nfs/dbraw/zinc/24/33/84/287243384.db2.gz PNMPMOGXTFKOMX-UHFFFAOYSA-N 2 2 335.448 1.426 20 0 EDADLP COCCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000066378235 287243387 /nfs/dbraw/zinc/24/33/87/287243387.db2.gz PNMPMOGXTFKOMX-UHFFFAOYSA-N 2 2 335.448 1.426 20 0 EDADLP C[NH2+]CCCNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000418276567 304473071 /nfs/dbraw/zinc/47/30/71/304473071.db2.gz GLLRFHIFWHDADX-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117794339 287347813 /nfs/dbraw/zinc/34/78/13/287347813.db2.gz XWHUPZLEMQREKC-OAHLLOKOSA-N 2 2 327.432 1.238 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000118898372 287348878 /nfs/dbraw/zinc/34/88/78/287348878.db2.gz RYZICIJZTZNCMT-CQSZACIVSA-N 2 2 341.415 1.269 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCOC[C@@H]3CCCO3)c12 ZINC000119159456 287350372 /nfs/dbraw/zinc/35/03/72/287350372.db2.gz MYNUZHWZVAZACU-AWEZNQCLSA-N 2 2 340.387 1.818 20 0 EDADLP CCc1nnc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1C ZINC000171304173 227004641 /nfs/dbraw/zinc/00/46/41/227004641.db2.gz XLIGXUKOSAOXEF-HUUCEWRRSA-N 2 2 335.496 1.699 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000120309314 221543831 /nfs/dbraw/zinc/54/38/31/221543831.db2.gz FJNXWKCBYFRBEM-GOEBONIOSA-N 2 2 334.439 1.204 20 0 EDADLP CN1CCO[C@H](C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000122100256 222013920 /nfs/dbraw/zinc/01/39/20/222013920.db2.gz QPIMZAOLUOKSCE-QGZVFWFLSA-N 2 2 325.497 1.189 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)CC[N@@H+]1C ZINC000123701697 222319311 /nfs/dbraw/zinc/31/93/11/222319311.db2.gz ZSVRMQWVOQBTTI-HOCLYGCPSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)CC[N@H+]1C ZINC000123701697 222319314 /nfs/dbraw/zinc/31/93/14/222319314.db2.gz ZSVRMQWVOQBTTI-HOCLYGCPSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)CC[NH+]1C ZINC000123701697 222319317 /nfs/dbraw/zinc/31/93/17/222319317.db2.gz ZSVRMQWVOQBTTI-HOCLYGCPSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)CC[NH+]1C ZINC000123701697 222319319 /nfs/dbraw/zinc/31/93/19/222319319.db2.gz ZSVRMQWVOQBTTI-HOCLYGCPSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418486572 304501774 /nfs/dbraw/zinc/50/17/74/304501774.db2.gz IKFUGKCETOLLOL-CABCVRRESA-N 2 2 334.464 1.568 20 0 EDADLP COCc1noc(CN2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000189626138 272966614 /nfs/dbraw/zinc/96/66/14/272966614.db2.gz ACKYTECVQJMLGY-UHFFFAOYSA-N 2 2 348.451 1.319 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000190123993 272973758 /nfs/dbraw/zinc/97/37/58/272973758.db2.gz WLZLJKDJOUAODV-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP C[C@@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000265800265 273018974 /nfs/dbraw/zinc/01/89/74/273018974.db2.gz KEZCLYJTJCVRTB-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000273596383 268061254 /nfs/dbraw/zinc/06/12/54/268061254.db2.gz NSXLKCBHIBYOLT-GOSISDBHSA-N 2 2 344.459 1.409 20 0 EDADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000274402342 268136191 /nfs/dbraw/zinc/13/61/91/268136191.db2.gz SQTQPCHQZRMEBF-HNNXBMFYSA-N 2 2 347.459 1.619 20 0 EDADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000274402342 268136193 /nfs/dbraw/zinc/13/61/93/268136193.db2.gz SQTQPCHQZRMEBF-HNNXBMFYSA-N 2 2 347.459 1.619 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)[NH+]1CCCCCC1 ZINC000275528356 268355054 /nfs/dbraw/zinc/35/50/54/268355054.db2.gz CAJBQWQPVCMCQE-DLBZAZTESA-N 2 2 345.491 1.774 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)[NH+]1CCCCCC1 ZINC000275528356 268355055 /nfs/dbraw/zinc/35/50/55/268355055.db2.gz CAJBQWQPVCMCQE-DLBZAZTESA-N 2 2 345.491 1.774 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000023617892 272909109 /nfs/dbraw/zinc/90/91/09/272909109.db2.gz BNDUGYJPQZYZEH-UHFFFAOYSA-N 2 2 338.419 1.122 20 0 EDADLP Cc1nn(C)cc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000280004763 273339565 /nfs/dbraw/zinc/33/95/65/273339565.db2.gz TYMOXDRQVQCUKY-HOTGVXAUSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1nn(C)cc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000280004763 273339566 /nfs/dbraw/zinc/33/95/66/273339566.db2.gz TYMOXDRQVQCUKY-HOTGVXAUSA-N 2 2 334.443 1.506 20 0 EDADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000280795202 273399433 /nfs/dbraw/zinc/39/94/33/273399433.db2.gz HWQLYRKLCALAQK-GJZGRUSLSA-N 2 2 346.431 1.746 20 0 EDADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000280795202 273399434 /nfs/dbraw/zinc/39/94/34/273399434.db2.gz HWQLYRKLCALAQK-GJZGRUSLSA-N 2 2 346.431 1.746 20 0 EDADLP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284354551 274172424 /nfs/dbraw/zinc/17/24/24/274172424.db2.gz DBYRVCVDJBEKBN-JQHSSLGASA-N 2 2 331.460 1.534 20 0 EDADLP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284354551 274172428 /nfs/dbraw/zinc/17/24/28/274172428.db2.gz DBYRVCVDJBEKBN-JQHSSLGASA-N 2 2 331.460 1.534 20 0 EDADLP CCOC(=O)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)o1 ZINC000284730932 274311235 /nfs/dbraw/zinc/31/12/35/274311235.db2.gz WZKNVDKIXWAFBP-MLGOLLRUSA-N 2 2 346.387 1.299 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)n1C ZINC000372479000 276074526 /nfs/dbraw/zinc/07/45/26/276074526.db2.gz ZHBZXTVQXMULDY-BZUAXINKSA-N 2 2 335.496 1.918 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)n1C ZINC000372479000 276074528 /nfs/dbraw/zinc/07/45/28/276074528.db2.gz ZHBZXTVQXMULDY-BZUAXINKSA-N 2 2 335.496 1.918 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CCOC ZINC000367342724 276289936 /nfs/dbraw/zinc/28/99/36/276289936.db2.gz PUXHTKLHPGTNAU-HOTGVXAUSA-N 2 2 334.464 1.720 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC[N@H+]1CCOC ZINC000367342724 276289937 /nfs/dbraw/zinc/28/99/37/276289937.db2.gz PUXHTKLHPGTNAU-HOTGVXAUSA-N 2 2 334.464 1.720 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2C1 ZINC000372076026 277190329 /nfs/dbraw/zinc/19/03/29/277190329.db2.gz VSBIHPIEVUZCBD-KSSFIOAISA-N 2 2 327.476 1.918 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2C1 ZINC000372076026 277190331 /nfs/dbraw/zinc/19/03/31/277190331.db2.gz VSBIHPIEVUZCBD-KSSFIOAISA-N 2 2 327.476 1.918 20 0 EDADLP C[NH+]1CCc2ncnc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2C1 ZINC000372076026 277190332 /nfs/dbraw/zinc/19/03/32/277190332.db2.gz VSBIHPIEVUZCBD-KSSFIOAISA-N 2 2 327.476 1.918 20 0 EDADLP C[NH+]1CCc2ncnc(N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2C1 ZINC000372076026 277190333 /nfs/dbraw/zinc/19/03/33/277190333.db2.gz VSBIHPIEVUZCBD-KSSFIOAISA-N 2 2 327.476 1.918 20 0 EDADLP COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378438874 277342734 /nfs/dbraw/zinc/34/27/34/277342734.db2.gz YKXGVSOKGRRJPN-IEBWSBKVSA-N 2 2 345.487 1.860 20 0 EDADLP COC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378438874 277342736 /nfs/dbraw/zinc/34/27/36/277342736.db2.gz YKXGVSOKGRRJPN-IEBWSBKVSA-N 2 2 345.487 1.860 20 0 EDADLP CC1(C)CCC[N@H+](CCNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000418775948 278214871 /nfs/dbraw/zinc/21/48/71/278214871.db2.gz WRXUPZWXOQPEDS-CYBMUJFWSA-N 2 2 332.439 1.652 20 0 EDADLP CC1(C)CCC[N@@H+](CCNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000418775948 278214872 /nfs/dbraw/zinc/21/48/72/278214872.db2.gz WRXUPZWXOQPEDS-CYBMUJFWSA-N 2 2 332.439 1.652 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263117977 278314633 /nfs/dbraw/zinc/31/46/33/278314633.db2.gz ASAPAOUXCAWAOA-DOMZBBRYSA-N 2 2 338.402 1.720 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000286556673 288033806 /nfs/dbraw/zinc/03/38/06/288033806.db2.gz PRMAQHKGKVZAAX-ZBFHGGJFSA-N 2 2 347.463 1.152 20 0 EDADLP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000286759349 288079644 /nfs/dbraw/zinc/07/96/44/288079644.db2.gz ZGHWBGDPMNNADN-ROUUACIJSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000286759349 288079647 /nfs/dbraw/zinc/07/96/47/288079647.db2.gz ZGHWBGDPMNNADN-ROUUACIJSA-N 2 2 328.460 1.701 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2=O)cn1 ZINC000158968316 279339127 /nfs/dbraw/zinc/33/91/27/279339127.db2.gz FEIUWYQFGLGXEZ-DJIMGWMZSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2=O)cn1 ZINC000158968316 279339129 /nfs/dbraw/zinc/33/91/29/279339129.db2.gz FEIUWYQFGLGXEZ-DJIMGWMZSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)cn1 ZINC000158968316 279339131 /nfs/dbraw/zinc/33/91/31/279339131.db2.gz FEIUWYQFGLGXEZ-DJIMGWMZSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2=O)cn1 ZINC000158968316 279339133 /nfs/dbraw/zinc/33/91/33/279339133.db2.gz FEIUWYQFGLGXEZ-DJIMGWMZSA-N 2 2 331.464 1.332 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000287019027 288138654 /nfs/dbraw/zinc/13/86/54/288138654.db2.gz GIUKRCYVWAXFJE-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP c1cn(CCNc2cc(C3CC3)[nH+]c(NCCn3cc[nH+]c3)n2)c[nH+]1 ZINC000287069849 288149409 /nfs/dbraw/zinc/14/94/09/288149409.db2.gz SUIIOTDDTMJWNO-UHFFFAOYSA-N 3 2 338.419 1.971 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCc2[nH+]ccn2C)C[C@H](C)O1 ZINC000363480526 288202471 /nfs/dbraw/zinc/20/24/71/288202471.db2.gz NNMRDGHONVNQPI-QLFBSQMISA-N 2 2 335.452 1.203 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCc2[nH+]ccn2C)C[C@H](C)O1 ZINC000363480526 288202472 /nfs/dbraw/zinc/20/24/72/288202472.db2.gz NNMRDGHONVNQPI-QLFBSQMISA-N 2 2 335.452 1.203 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000287594384 288273059 /nfs/dbraw/zinc/27/30/59/288273059.db2.gz ZVTFPCUAZIFFDR-BPQIPLTHSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000287594384 288273060 /nfs/dbraw/zinc/27/30/60/288273060.db2.gz ZVTFPCUAZIFFDR-BPQIPLTHSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000287594384 288273061 /nfs/dbraw/zinc/27/30/61/288273061.db2.gz ZVTFPCUAZIFFDR-BPQIPLTHSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000287594384 288273062 /nfs/dbraw/zinc/27/30/62/288273062.db2.gz ZVTFPCUAZIFFDR-BPQIPLTHSA-N 2 2 346.475 1.279 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CCN([C@H]4CCC[N@@H+](C)C4)CC3)n2c1 ZINC000362375177 281168324 /nfs/dbraw/zinc/16/83/24/281168324.db2.gz BORYEHWHRAUZDN-KRWDZBQOSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CCN([C@H]4CCC[N@H+](C)C4)CC3)n2c1 ZINC000362375177 281168325 /nfs/dbraw/zinc/16/83/25/281168325.db2.gz BORYEHWHRAUZDN-KRWDZBQOSA-N 2 2 327.476 1.855 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CCC1 ZINC000287754635 288315131 /nfs/dbraw/zinc/31/51/31/288315131.db2.gz LRSKWGHTIWNLQD-CYBMUJFWSA-N 2 2 333.436 1.064 20 0 EDADLP Cc1ccccc1C1(O)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000373154491 281335722 /nfs/dbraw/zinc/33/57/22/281335722.db2.gz PVXHEOALQQOQFW-UHFFFAOYSA-N 2 2 331.460 1.052 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000422004628 447305245 /nfs/dbraw/zinc/30/52/45/447305245.db2.gz HAXRJIIWQLMCJQ-UHFFFAOYSA-N 2 2 345.491 1.193 20 0 EDADLP CC[C@](C)(CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OC ZINC000458962052 288391130 /nfs/dbraw/zinc/39/11/30/288391130.db2.gz APLDEYSQCATPMU-MAUKXSAKSA-N 2 2 340.512 1.611 20 0 EDADLP CC[C@](C)(CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OC ZINC000458962052 288391131 /nfs/dbraw/zinc/39/11/31/288391131.db2.gz APLDEYSQCATPMU-MAUKXSAKSA-N 2 2 340.512 1.611 20 0 EDADLP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2csc(C[NH3+])n2)cc1 ZINC000262272391 288569759 /nfs/dbraw/zinc/56/97/59/288569759.db2.gz SRAVNASRAHWJED-OAHLLOKOSA-N 2 2 330.457 1.951 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290026483 288824451 /nfs/dbraw/zinc/82/44/51/288824451.db2.gz ARKNAPUGXDDLNF-CQSZACIVSA-N 2 2 345.447 1.891 20 0 EDADLP CON(C)C(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000291216359 289019982 /nfs/dbraw/zinc/01/99/82/289019982.db2.gz JAIZGJWXYGYXHB-UHFFFAOYSA-N 2 2 329.404 1.499 20 0 EDADLP CC[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000291235038 289023273 /nfs/dbraw/zinc/02/32/73/289023273.db2.gz QEBMLGAYYDGCGW-CRAIPNDOSA-N 2 2 330.476 1.761 20 0 EDADLP CC[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000291235038 289023275 /nfs/dbraw/zinc/02/32/75/289023275.db2.gz QEBMLGAYYDGCGW-CRAIPNDOSA-N 2 2 330.476 1.761 20 0 EDADLP CC[NH+]1CC[C@@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000291235038 289023277 /nfs/dbraw/zinc/02/32/77/289023277.db2.gz QEBMLGAYYDGCGW-CRAIPNDOSA-N 2 2 330.476 1.761 20 0 EDADLP CC[NH+]1CC[C@@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000291235038 289023279 /nfs/dbraw/zinc/02/32/79/289023279.db2.gz QEBMLGAYYDGCGW-CRAIPNDOSA-N 2 2 330.476 1.761 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCC1(F)F ZINC000291465008 289075009 /nfs/dbraw/zinc/07/50/09/289075009.db2.gz DKUKKUBJLCWDIK-CYBMUJFWSA-N 2 2 325.407 1.706 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCC1(F)F ZINC000291465008 289075011 /nfs/dbraw/zinc/07/50/11/289075011.db2.gz DKUKKUBJLCWDIK-CYBMUJFWSA-N 2 2 325.407 1.706 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCNC(=O)OC(C)(C)C ZINC000374421924 289332885 /nfs/dbraw/zinc/33/28/85/289332885.db2.gz PWASTMXGRFHMAU-QLFBSQMISA-N 2 2 327.469 1.695 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCNC(=O)OC(C)(C)C ZINC000374421924 289332889 /nfs/dbraw/zinc/33/28/89/289332889.db2.gz PWASTMXGRFHMAU-QLFBSQMISA-N 2 2 327.469 1.695 20 0 EDADLP COC(=O)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000292999918 289496115 /nfs/dbraw/zinc/49/61/15/289496115.db2.gz MYUIFLZVKRSCHC-UHFFFAOYSA-N 2 2 348.447 1.090 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000333087756 293298651 /nfs/dbraw/zinc/29/86/51/293298651.db2.gz BVTZURKFUNADFG-HNNXBMFYSA-N 2 2 347.463 1.832 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2=O)n1 ZINC000333139857 294346685 /nfs/dbraw/zinc/34/66/85/294346685.db2.gz CFCCGEWYRZLATH-MRXNPFEDSA-N 2 2 331.464 1.522 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCSCC2)C[C@@H]1[NH+]1CCCC1 ZINC000352473296 295645348 /nfs/dbraw/zinc/64/53/48/295645348.db2.gz SAVJQTMHMXFEET-QLFBSQMISA-N 2 2 343.562 1.462 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000130043496 297273436 /nfs/dbraw/zinc/27/34/36/297273436.db2.gz FXXQRDJAPNJVTF-BFYDXBDKSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000130043496 297273440 /nfs/dbraw/zinc/27/34/40/297273440.db2.gz FXXQRDJAPNJVTF-BFYDXBDKSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000430613167 305059008 /nfs/dbraw/zinc/05/90/08/305059008.db2.gz VHGLJMCYKFXXPP-UHFFFAOYSA-N 2 2 326.462 1.543 20 0 EDADLP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000430613167 305059009 /nfs/dbraw/zinc/05/90/09/305059009.db2.gz VHGLJMCYKFXXPP-UHFFFAOYSA-N 2 2 326.462 1.543 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000653069198 453248313 /nfs/dbraw/zinc/24/83/13/453248313.db2.gz GBDLCBBQAQGQAS-LBPRGKRZSA-N 2 2 327.812 1.006 20 0 EDADLP CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660481069 453335712 /nfs/dbraw/zinc/33/57/12/453335712.db2.gz YHPNQCYEHJJQJA-QGZVFWFLSA-N 2 2 346.537 1.778 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000653152795 453339962 /nfs/dbraw/zinc/33/99/62/453339962.db2.gz ZHUHGKFBDBZODP-HUUCEWRRSA-N 2 2 325.840 1.519 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccnn1CC[NH+](C)C ZINC000294137114 303067930 /nfs/dbraw/zinc/06/79/30/303067930.db2.gz QMJJLOQAODIXQS-UHFFFAOYSA-N 2 2 326.404 1.742 20 0 EDADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000295128608 303176730 /nfs/dbraw/zinc/17/67/30/303176730.db2.gz XRPISUZNEFSCEE-AWEZNQCLSA-N 2 2 336.461 1.598 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)nn1 ZINC000295908476 303282317 /nfs/dbraw/zinc/28/23/17/303282317.db2.gz ZJXTWSGYQMAMTN-HNNXBMFYSA-N 2 2 345.447 1.451 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)nn1 ZINC000295908476 303282318 /nfs/dbraw/zinc/28/23/18/303282318.db2.gz ZJXTWSGYQMAMTN-HNNXBMFYSA-N 2 2 345.447 1.451 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H](F)C(F)(F)F)CC2)CC1 ZINC000377749188 447334950 /nfs/dbraw/zinc/33/49/50/447334950.db2.gz SFUSNRLGQZYRBA-GFCCVEGCSA-N 2 2 325.350 1.562 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(F)C(F)(F)F)CC2)CC1 ZINC000377749188 447334954 /nfs/dbraw/zinc/33/49/54/447334954.db2.gz SFUSNRLGQZYRBA-GFCCVEGCSA-N 2 2 325.350 1.562 20 0 EDADLP CCOc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414874736 447337999 /nfs/dbraw/zinc/33/79/99/447337999.db2.gz ZAOMLZISQCKHLQ-ZBFHGGJFSA-N 2 2 349.475 1.782 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000423381668 304894141 /nfs/dbraw/zinc/89/41/41/304894141.db2.gz IGKNUFJAWGSUPQ-DOMZBBRYSA-N 2 2 325.478 1.763 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423919966 304916616 /nfs/dbraw/zinc/91/66/16/304916616.db2.gz RILPXMOANBPIKN-RZLSGREXSA-N 2 2 339.459 1.164 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423922326 304916888 /nfs/dbraw/zinc/91/68/88/304916888.db2.gz VTJDRSCXFIYKRI-KBPBESRZSA-N 2 2 339.459 1.214 20 0 EDADLP C[C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC000424058480 304926582 /nfs/dbraw/zinc/92/65/82/304926582.db2.gz DBTVFVPLPJUNSA-BRWVUGGUSA-N 2 2 345.491 1.035 20 0 EDADLP C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C[NH3+] ZINC000424069366 304927405 /nfs/dbraw/zinc/92/74/05/304927405.db2.gz ISNGHQMUSKFKGP-MDZRGWNJSA-N 2 2 345.487 1.964 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000428041978 305005264 /nfs/dbraw/zinc/00/52/64/305005264.db2.gz SYRYEVJDHTZOPM-LNLFQRSKSA-N 2 2 342.487 1.313 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000428041978 305005265 /nfs/dbraw/zinc/00/52/65/305005265.db2.gz SYRYEVJDHTZOPM-LNLFQRSKSA-N 2 2 342.487 1.313 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428043101 305005412 /nfs/dbraw/zinc/00/54/12/305005412.db2.gz XFHJBRQXERVPFB-WFASDCNBSA-N 2 2 337.851 1.649 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428043101 305005413 /nfs/dbraw/zinc/00/54/13/305005413.db2.gz XFHJBRQXERVPFB-WFASDCNBSA-N 2 2 337.851 1.649 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC000428066995 305006544 /nfs/dbraw/zinc/00/65/44/305006544.db2.gz PIIKJNDDUKTZIL-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC000428066995 305006545 /nfs/dbraw/zinc/00/65/45/305006545.db2.gz PIIKJNDDUKTZIL-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000429168264 305025135 /nfs/dbraw/zinc/02/51/35/305025135.db2.gz BWMAYHZJGZVVKN-VKJFTORMSA-N 2 2 348.466 1.532 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(CS(C)(=O)=O)CC1 ZINC000429259768 305026899 /nfs/dbraw/zinc/02/68/99/305026899.db2.gz YTKONOMYAIOFIZ-UHFFFAOYSA-N 2 2 327.494 1.982 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(CS(C)(=O)=O)CC1 ZINC000429259768 305026900 /nfs/dbraw/zinc/02/69/00/305026900.db2.gz YTKONOMYAIOFIZ-UHFFFAOYSA-N 2 2 327.494 1.982 20 0 EDADLP CC[C@H]1CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000429298909 305028204 /nfs/dbraw/zinc/02/82/04/305028204.db2.gz WRXXRUGIJMHREF-SFHVURJKSA-N 2 2 343.471 1.750 20 0 EDADLP CC[C@H]1CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000429298909 305028205 /nfs/dbraw/zinc/02/82/05/305028205.db2.gz WRXXRUGIJMHREF-SFHVURJKSA-N 2 2 343.471 1.750 20 0 EDADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000429552225 305031868 /nfs/dbraw/zinc/03/18/68/305031868.db2.gz XEKIMMBTAQWVHH-KRWDZBQOSA-N 3 2 343.475 1.245 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000430538696 305055895 /nfs/dbraw/zinc/05/58/95/305055895.db2.gz CNUCYXZWNKRVRN-GFCCVEGCSA-N 2 2 338.839 1.451 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000430538696 305055896 /nfs/dbraw/zinc/05/58/96/305055896.db2.gz CNUCYXZWNKRVRN-GFCCVEGCSA-N 2 2 338.839 1.451 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCCCOc2cccc(C)c2)C1 ZINC000430608789 305058659 /nfs/dbraw/zinc/05/86/59/305058659.db2.gz FBYQVPZNXNYFQE-QGZVFWFLSA-N 2 2 333.476 1.812 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCCCOc2cccc(C)c2)C1 ZINC000430608789 305058660 /nfs/dbraw/zinc/05/86/60/305058660.db2.gz FBYQVPZNXNYFQE-QGZVFWFLSA-N 2 2 333.476 1.812 20 0 EDADLP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000430613276 305058950 /nfs/dbraw/zinc/05/89/50/305058950.db2.gz VAHGZUPBQWCZGD-UHFFFAOYSA-N 3 2 346.475 1.128 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621124 305059687 /nfs/dbraw/zinc/05/96/87/305059687.db2.gz CZKNQKLPFAGYOR-UONOGXRCSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430621124 305059688 /nfs/dbraw/zinc/05/96/88/305059688.db2.gz CZKNQKLPFAGYOR-UONOGXRCSA-N 2 2 333.432 1.846 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000430631349 305060330 /nfs/dbraw/zinc/06/03/30/305060330.db2.gz AWMGKPBRLPHJDQ-AWEZNQCLSA-N 2 2 349.475 1.955 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000430631349 305060331 /nfs/dbraw/zinc/06/03/31/305060331.db2.gz AWMGKPBRLPHJDQ-AWEZNQCLSA-N 2 2 349.475 1.955 20 0 EDADLP C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C1CC[NH2+]CC1 ZINC000430642884 305060937 /nfs/dbraw/zinc/06/09/37/305060937.db2.gz PTSZFVONYHWDNQ-UHFFFAOYSA-N 2 2 345.487 1.535 20 0 EDADLP C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C1CC[NH2+]CC1 ZINC000430642884 305060938 /nfs/dbraw/zinc/06/09/38/305060938.db2.gz PTSZFVONYHWDNQ-UHFFFAOYSA-N 2 2 345.487 1.535 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000430651205 305061452 /nfs/dbraw/zinc/06/14/52/305061452.db2.gz VWVFGTJIOKCZRX-LJQANCHMSA-N 3 2 344.503 1.569 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000430651205 305061453 /nfs/dbraw/zinc/06/14/53/305061453.db2.gz VWVFGTJIOKCZRX-LJQANCHMSA-N 3 2 344.503 1.569 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430921324 305068283 /nfs/dbraw/zinc/06/82/83/305068283.db2.gz XSNDOJNFYDNYDY-KLHDSHLOSA-N 2 2 347.459 1.342 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430921324 305068284 /nfs/dbraw/zinc/06/82/84/305068284.db2.gz XSNDOJNFYDNYDY-KLHDSHLOSA-N 2 2 347.459 1.342 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430924107 305068536 /nfs/dbraw/zinc/06/85/36/305068536.db2.gz HJDCZDMKQFQAKC-RISCZKNCSA-N 2 2 325.840 1.634 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430924107 305068537 /nfs/dbraw/zinc/06/85/37/305068537.db2.gz HJDCZDMKQFQAKC-RISCZKNCSA-N 2 2 325.840 1.634 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)s1 ZINC000430926043 305068673 /nfs/dbraw/zinc/06/86/73/305068673.db2.gz NBEHKMHHYGPRDO-CQSZACIVSA-N 2 2 337.489 1.333 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(OC)cc2)C2CC2)C1 ZINC000430959224 305070908 /nfs/dbraw/zinc/07/09/08/305070908.db2.gz XFAQWSYGQRHFAN-MRXNPFEDSA-N 2 2 331.460 1.728 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(OC)cc2)C2CC2)C1 ZINC000430959224 305070909 /nfs/dbraw/zinc/07/09/09/305070909.db2.gz XFAQWSYGQRHFAN-MRXNPFEDSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2nc3ccccc3o2)CC1 ZINC000431597758 305080394 /nfs/dbraw/zinc/08/03/94/305080394.db2.gz VPRYLYBYYMUYMN-UHFFFAOYSA-N 2 2 330.432 1.860 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2nc3ccccc3o2)CC1 ZINC000431597758 305080395 /nfs/dbraw/zinc/08/03/95/305080395.db2.gz VPRYLYBYYMUYMN-UHFFFAOYSA-N 2 2 330.432 1.860 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432117515 305087660 /nfs/dbraw/zinc/08/76/60/305087660.db2.gz UEOOGIAEWQFXCA-HOTGVXAUSA-N 2 2 348.491 1.940 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432117515 305087661 /nfs/dbraw/zinc/08/76/61/305087661.db2.gz UEOOGIAEWQFXCA-HOTGVXAUSA-N 2 2 348.491 1.940 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000432983618 305098682 /nfs/dbraw/zinc/09/86/82/305098682.db2.gz KBINWKRERMAJFH-MPTYRVRUSA-N 2 2 349.479 1.812 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434389166 305121423 /nfs/dbraw/zinc/12/14/23/305121423.db2.gz GOQVLRLWMVBARI-UHFFFAOYSA-N 2 2 329.510 1.042 20 0 EDADLP CC[N@H+](CCOc1cccc(S(C)(=O)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435612969 305143267 /nfs/dbraw/zinc/14/32/67/305143267.db2.gz IJRNQKFQZUCFMK-HNNXBMFYSA-N 2 2 340.489 1.933 20 0 EDADLP CC[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435612969 305143268 /nfs/dbraw/zinc/14/32/68/305143268.db2.gz IJRNQKFQZUCFMK-HNNXBMFYSA-N 2 2 340.489 1.933 20 0 EDADLP C[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435622903 305143786 /nfs/dbraw/zinc/14/37/86/305143786.db2.gz SWCPYVBTVKZZLX-QGZVFWFLSA-N 2 2 341.459 1.562 20 0 EDADLP C[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435622903 305143787 /nfs/dbraw/zinc/14/37/87/305143787.db2.gz SWCPYVBTVKZZLX-QGZVFWFLSA-N 2 2 341.459 1.562 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)NC(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000435692367 305145611 /nfs/dbraw/zinc/14/56/11/305145611.db2.gz JARGYMJWMLVEEI-HNNXBMFYSA-N 2 2 333.480 1.372 20 0 EDADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000435882590 305148763 /nfs/dbraw/zinc/14/87/63/305148763.db2.gz ZFJQFGCHNJQBKI-CQSZACIVSA-N 2 2 329.441 1.178 20 0 EDADLP C[NH2+]CCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000435882590 305148764 /nfs/dbraw/zinc/14/87/64/305148764.db2.gz ZFJQFGCHNJQBKI-CQSZACIVSA-N 2 2 329.441 1.178 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(F)c1 ZINC000436052305 305151348 /nfs/dbraw/zinc/15/13/48/305151348.db2.gz CPBPISHESWLTPJ-OAHLLOKOSA-N 2 2 336.411 1.084 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(F)c1 ZINC000436052305 305151349 /nfs/dbraw/zinc/15/13/49/305151349.db2.gz CPBPISHESWLTPJ-OAHLLOKOSA-N 2 2 336.411 1.084 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)nc2)nc[nH+]1 ZINC000436243385 305154837 /nfs/dbraw/zinc/15/48/37/305154837.db2.gz VNELSXLIDVMXSP-CQSZACIVSA-N 2 2 328.420 1.681 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(N(C)C)n2C)nc[nH+]1 ZINC000436481363 305158455 /nfs/dbraw/zinc/15/84/55/305158455.db2.gz YTQIENNUSFHFPN-ZDUSSCGKSA-N 2 2 344.467 1.076 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c[nH+]c(N(C)C)n2C)nc[nH+]1 ZINC000436481363 305158456 /nfs/dbraw/zinc/15/84/56/305158456.db2.gz YTQIENNUSFHFPN-ZDUSSCGKSA-N 3 2 344.467 1.076 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436711696 305166318 /nfs/dbraw/zinc/16/63/18/305166318.db2.gz KDQSAKLJCBJQSG-HUUCEWRRSA-N 2 2 342.447 1.551 20 0 EDADLP C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CC[NH+](CCO)CC1 ZINC000438109987 305181498 /nfs/dbraw/zinc/18/14/98/305181498.db2.gz NFFPTKBCIVGRNG-UHFFFAOYSA-N 2 2 346.450 1.959 20 0 EDADLP C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CC[NH+](CCO)CC1 ZINC000438109987 305181499 /nfs/dbraw/zinc/18/14/99/305181499.db2.gz NFFPTKBCIVGRNG-UHFFFAOYSA-N 2 2 346.450 1.959 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC000440531719 305209480 /nfs/dbraw/zinc/20/94/80/305209480.db2.gz CUWYMKXMPLVPMZ-CABCVRRESA-N 2 2 327.448 1.474 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ncnn2CCF)[C@H](C)C1 ZINC000440531719 305209481 /nfs/dbraw/zinc/20/94/81/305209481.db2.gz CUWYMKXMPLVPMZ-CABCVRRESA-N 2 2 327.448 1.474 20 0 EDADLP Cn1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(-c2ccoc2)n1 ZINC000447497641 305280598 /nfs/dbraw/zinc/28/05/98/305280598.db2.gz KHMKMOHXFWXEKX-UHFFFAOYSA-N 2 2 345.447 1.436 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000447525935 305281343 /nfs/dbraw/zinc/28/13/43/305281343.db2.gz AHQDRGUWPICGDU-NVXWUHKLSA-N 2 2 328.464 1.510 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000447656609 305283808 /nfs/dbraw/zinc/28/38/08/305283808.db2.gz ABPHWDGEVOVEAC-IRXDYDNUSA-N 2 2 345.487 1.612 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000447656609 305283809 /nfs/dbraw/zinc/28/38/09/305283809.db2.gz ABPHWDGEVOVEAC-IRXDYDNUSA-N 2 2 345.487 1.612 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@H](C)C3)CC2)c1 ZINC000452103034 305383048 /nfs/dbraw/zinc/38/30/48/305383048.db2.gz VHLNPPLGZCTETR-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@H](C)C3)CC2)c1 ZINC000452103034 305383049 /nfs/dbraw/zinc/38/30/49/305383049.db2.gz VHLNPPLGZCTETR-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000493677265 305622053 /nfs/dbraw/zinc/62/20/53/305622053.db2.gz JHMFZSBAGBJCDO-GASCZTMLSA-N 2 2 336.505 1.075 20 0 EDADLP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000496128199 305660175 /nfs/dbraw/zinc/66/01/75/305660175.db2.gz XSOMRVOTIFCCRI-UHFFFAOYSA-N 2 2 336.440 1.522 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000515234295 305717563 /nfs/dbraw/zinc/71/75/63/305717563.db2.gz FDZYICXJOBYIBS-QZTJIDSGSA-N 2 2 336.476 1.601 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000520393177 305778965 /nfs/dbraw/zinc/77/89/65/305778965.db2.gz MGIRQPVPXZXDBQ-FZMZJTMJSA-N 2 2 331.869 1.206 20 0 EDADLP CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000425911588 447358002 /nfs/dbraw/zinc/35/80/02/447358002.db2.gz BMBWFXDOOIXJNS-IBGZPJMESA-N 2 2 347.459 1.304 20 0 EDADLP CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000425911588 447358007 /nfs/dbraw/zinc/35/80/07/447358007.db2.gz BMBWFXDOOIXJNS-IBGZPJMESA-N 2 2 347.459 1.304 20 0 EDADLP Cc1cccc(OCC[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000530228142 305935037 /nfs/dbraw/zinc/93/50/37/305935037.db2.gz NXXFYHXEASDWSV-UHFFFAOYSA-N 2 2 332.448 1.017 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000534579907 306008177 /nfs/dbraw/zinc/00/81/77/306008177.db2.gz FWZAOHCZVNGDKK-CQSZACIVSA-N 2 2 342.399 1.255 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000534579907 306008178 /nfs/dbraw/zinc/00/81/78/306008178.db2.gz FWZAOHCZVNGDKK-CQSZACIVSA-N 2 2 342.399 1.255 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)o1 ZINC000536543880 306022163 /nfs/dbraw/zinc/02/21/63/306022163.db2.gz NEJKNNJDAVZFHC-PBHICJAKSA-N 2 2 349.475 1.832 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)o1 ZINC000536543880 306022164 /nfs/dbraw/zinc/02/21/64/306022164.db2.gz NEJKNNJDAVZFHC-PBHICJAKSA-N 2 2 349.475 1.832 20 0 EDADLP COc1ccc(OC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000540067908 306038891 /nfs/dbraw/zinc/03/88/91/306038891.db2.gz DQBIUCOYCIBGMF-UHFFFAOYSA-N 2 2 347.459 1.312 20 0 EDADLP COC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000542522868 306054764 /nfs/dbraw/zinc/05/47/64/306054764.db2.gz VPYDPPNVVHQBLS-SFHVURJKSA-N 2 2 349.475 1.718 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000542782954 306058282 /nfs/dbraw/zinc/05/82/82/306058282.db2.gz YQEDJWNVUYAELF-UHFFFAOYSA-N 2 2 328.420 1.427 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000543395724 306063436 /nfs/dbraw/zinc/06/34/36/306063436.db2.gz SSVAQAQMARHHLY-UHFFFAOYSA-N 2 2 335.415 1.688 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548333766 306124659 /nfs/dbraw/zinc/12/46/59/306124659.db2.gz XPAUYKUPVOUBGX-HOTGVXAUSA-N 2 2 331.464 1.571 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548333766 306124660 /nfs/dbraw/zinc/12/46/60/306124660.db2.gz XPAUYKUPVOUBGX-HOTGVXAUSA-N 2 2 331.464 1.571 20 0 EDADLP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCn3cc[nH+]c3)c2cc1C ZINC000549137339 306144775 /nfs/dbraw/zinc/14/47/75/306144775.db2.gz QSODXFCWIZYUDE-MRXNPFEDSA-N 2 2 327.432 1.890 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCn3cc[nH+]c3)c2cc1C ZINC000549137339 306144776 /nfs/dbraw/zinc/14/47/76/306144776.db2.gz QSODXFCWIZYUDE-MRXNPFEDSA-N 3 2 327.432 1.890 20 0 EDADLP CNC(=O)Cc1noc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000550628135 306153298 /nfs/dbraw/zinc/15/32/98/306153298.db2.gz DURUPNUYGQPMNY-UHFFFAOYSA-N 2 2 345.403 1.105 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000552136512 306175871 /nfs/dbraw/zinc/17/58/71/306175871.db2.gz ZKAIIIBGCGZLBB-LSDHHAIUSA-N 2 2 328.407 1.616 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000553925782 306187957 /nfs/dbraw/zinc/18/79/57/306187957.db2.gz WGJQKWLLVVKHEQ-MRXNPFEDSA-N 2 2 347.463 1.377 20 0 EDADLP Cc1cccn2cc(CC(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)[nH+]c12 ZINC000555762552 306206050 /nfs/dbraw/zinc/20/60/50/306206050.db2.gz WPOQHOQJZUKBJR-INIZCTEOSA-N 2 2 344.459 1.802 20 0 EDADLP Cc1cccn2cc(CC(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)[nH+]c12 ZINC000555762552 306206051 /nfs/dbraw/zinc/20/60/51/306206051.db2.gz WPOQHOQJZUKBJR-INIZCTEOSA-N 2 2 344.459 1.802 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556647407 306212607 /nfs/dbraw/zinc/21/26/07/306212607.db2.gz MTPVPXRPQFEECE-HOTGVXAUSA-N 2 2 349.479 1.159 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000556856376 306220635 /nfs/dbraw/zinc/22/06/35/306220635.db2.gz PIHPEFNSCBBQPK-LZWOXQAQSA-N 2 2 338.448 1.264 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000556856376 306220636 /nfs/dbraw/zinc/22/06/36/306220636.db2.gz PIHPEFNSCBBQPK-LZWOXQAQSA-N 2 2 338.448 1.264 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000557213605 306226487 /nfs/dbraw/zinc/22/64/87/306226487.db2.gz FQUVJFXHJXZSGT-HZPDHXFCSA-N 2 2 342.447 1.498 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000557219616 306226608 /nfs/dbraw/zinc/22/66/08/306226608.db2.gz GBTZJWMNOLJZAL-OAGGEKHMSA-N 2 2 338.496 1.269 20 0 EDADLP COC[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)CCC[NH2+]1 ZINC000414948059 447368672 /nfs/dbraw/zinc/36/86/72/447368672.db2.gz WPVMRHGTBDZACU-GOSISDBHSA-N 2 2 330.432 1.944 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC000426010851 447378676 /nfs/dbraw/zinc/37/86/76/447378676.db2.gz PZACUEWXKVBEPP-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000426010851 447378680 /nfs/dbraw/zinc/37/86/80/447378680.db2.gz PZACUEWXKVBEPP-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000414975283 447381776 /nfs/dbraw/zinc/38/17/76/447381776.db2.gz NSFXMHGSONQNFE-MRXNPFEDSA-N 2 2 340.383 1.159 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H](C)SC)CC2)CC1 ZINC000422171664 447385898 /nfs/dbraw/zinc/38/58/98/447385898.db2.gz CNYHHLGXVPGFED-HNNXBMFYSA-N 2 2 342.553 1.940 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H](C)SC)CC2)CC1 ZINC000422171664 447385901 /nfs/dbraw/zinc/38/59/01/447385901.db2.gz CNYHHLGXVPGFED-HNNXBMFYSA-N 2 2 342.553 1.940 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000426116108 447390745 /nfs/dbraw/zinc/39/07/45/447390745.db2.gz SVMQHIGOASAHIY-SFHVURJKSA-N 3 2 334.508 1.288 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000426116108 447390750 /nfs/dbraw/zinc/39/07/50/447390750.db2.gz SVMQHIGOASAHIY-SFHVURJKSA-N 3 2 334.508 1.288 20 0 EDADLP Cc1cccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1Cl ZINC000657093203 453675971 /nfs/dbraw/zinc/67/59/71/453675971.db2.gz ZROGQQPHKKIHKY-UHFFFAOYSA-N 2 2 347.912 1.810 20 0 EDADLP Cc1cccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1Cl ZINC000657093203 453675976 /nfs/dbraw/zinc/67/59/76/453675976.db2.gz ZROGQQPHKKIHKY-UHFFFAOYSA-N 2 2 347.912 1.810 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415171589 447396115 /nfs/dbraw/zinc/39/61/15/447396115.db2.gz RMFYNIWDDPWSQS-DZGCQCFKSA-N 2 2 347.463 1.619 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)C2)CC1 ZINC000378112145 447401195 /nfs/dbraw/zinc/40/11/95/447401195.db2.gz OJMNDKQZJYSJKN-IAGOWNOFSA-N 2 2 345.491 1.387 20 0 EDADLP Cc1cc(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)cc(C)[nH+]1 ZINC000422208004 447403947 /nfs/dbraw/zinc/40/39/47/447403947.db2.gz MTPYAGPIEWJVDN-UHFFFAOYSA-N 2 2 334.464 1.687 20 0 EDADLP Cc1cc(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)cc(C)[nH+]1 ZINC000422208004 447403956 /nfs/dbraw/zinc/40/39/56/447403956.db2.gz MTPYAGPIEWJVDN-UHFFFAOYSA-N 2 2 334.464 1.687 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000422210693 447405036 /nfs/dbraw/zinc/40/50/36/447405036.db2.gz UAORLAWDDRWZER-PIIMJCKOSA-N 2 2 334.508 1.987 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000422210693 447405039 /nfs/dbraw/zinc/40/50/39/447405039.db2.gz UAORLAWDDRWZER-PIIMJCKOSA-N 2 2 334.508 1.987 20 0 EDADLP C[C@@H]1C[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000044849282 440892341 /nfs/dbraw/zinc/89/23/41/440892341.db2.gz SSOSXGHYAWJRQQ-HZPDHXFCSA-N 2 2 332.448 1.230 20 0 EDADLP CC[NH+](CC)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000045544692 440999613 /nfs/dbraw/zinc/99/96/13/440999613.db2.gz CFWSSQXAJDPQMZ-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057171739 441095238 /nfs/dbraw/zinc/09/52/38/441095238.db2.gz YQKUSFYYYGNDTG-KRWDZBQOSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000105099222 441232364 /nfs/dbraw/zinc/23/23/64/441232364.db2.gz HTJAZUYTEPEKBO-GASCZTMLSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000105099222 441232369 /nfs/dbraw/zinc/23/23/69/441232369.db2.gz HTJAZUYTEPEKBO-GASCZTMLSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000047618185 441209870 /nfs/dbraw/zinc/20/98/70/441209870.db2.gz ZNHJGCUCEOTBBU-MRXNPFEDSA-N 2 2 346.475 1.065 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000047618185 441209873 /nfs/dbraw/zinc/20/98/73/441209873.db2.gz ZNHJGCUCEOTBBU-MRXNPFEDSA-N 2 2 346.475 1.065 20 0 EDADLP O=C(NCCn1cc[nH+]c1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058805969 441213084 /nfs/dbraw/zinc/21/30/84/441213084.db2.gz GOMMGMQQDVIJKR-INIZCTEOSA-N 2 2 330.457 1.789 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964927 441244319 /nfs/dbraw/zinc/24/43/19/441244319.db2.gz CCDBFJQLNXBLIP-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047964927 441244326 /nfs/dbraw/zinc/24/43/26/441244326.db2.gz CCDBFJQLNXBLIP-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP CC(C)[C@H](CNC(=O)NCc1cn2ccccc2[nH+]1)[NH+]1CCOCC1 ZINC000048016981 441250469 /nfs/dbraw/zinc/25/04/69/441250469.db2.gz UDMAHNUFJCPECY-INIZCTEOSA-N 2 2 345.447 1.490 20 0 EDADLP CC1CC[NH+](CCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000105787651 441268260 /nfs/dbraw/zinc/26/82/60/441268260.db2.gz MNJXBFQYDOPMJP-MRXNPFEDSA-N 2 2 333.480 1.829 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000072961141 441279586 /nfs/dbraw/zinc/27/95/86/441279586.db2.gz QINWBGRNAYRWOO-KRWDZBQOSA-N 2 2 341.459 1.600 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000073047575 441288439 /nfs/dbraw/zinc/28/84/39/441288439.db2.gz BAEOBBVRVJORBZ-MRXNPFEDSA-N 2 2 337.489 1.156 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000073047575 441288442 /nfs/dbraw/zinc/28/84/42/441288442.db2.gz BAEOBBVRVJORBZ-MRXNPFEDSA-N 2 2 337.489 1.156 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000049008235 441341331 /nfs/dbraw/zinc/34/13/31/441341331.db2.gz IVFKPSHABORLNL-ZDUSSCGKSA-N 2 2 325.376 1.352 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2nc3ccccn3c2=O)C1 ZINC000081635340 441297869 /nfs/dbraw/zinc/29/78/69/441297869.db2.gz SITIQLJWUHLSMG-INIZCTEOSA-N 2 2 329.448 1.160 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2nc3ccccn3c2=O)C1 ZINC000081635340 441297875 /nfs/dbraw/zinc/29/78/75/441297875.db2.gz SITIQLJWUHLSMG-INIZCTEOSA-N 2 2 329.448 1.160 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000081635340 441297880 /nfs/dbraw/zinc/29/78/80/441297880.db2.gz SITIQLJWUHLSMG-INIZCTEOSA-N 2 2 329.448 1.160 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000081635340 441297885 /nfs/dbraw/zinc/29/78/85/441297885.db2.gz SITIQLJWUHLSMG-INIZCTEOSA-N 2 2 329.448 1.160 20 0 EDADLP CC(=O)[C@H](NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)C(C)C ZINC000105876157 441303625 /nfs/dbraw/zinc/30/36/25/441303625.db2.gz WYWKQOSXVQPQAN-GOSISDBHSA-N 2 2 334.464 1.404 20 0 EDADLP C[C@H]1C[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000052856228 441481648 /nfs/dbraw/zinc/48/16/48/441481648.db2.gz WWTGOOPGKMXEGL-IRXDYDNUSA-N 2 2 331.460 1.440 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000089424630 441549992 /nfs/dbraw/zinc/54/99/92/441549992.db2.gz AMPARFMWALSGGH-SFHVURJKSA-N 2 2 327.476 1.936 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000089424630 441549988 /nfs/dbraw/zinc/54/99/88/441549988.db2.gz AMPARFMWALSGGH-SFHVURJKSA-N 2 2 327.476 1.936 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000076072849 441593533 /nfs/dbraw/zinc/59/35/33/441593533.db2.gz DJWRPYJDGZQGHM-LBPRGKRZSA-N 2 2 347.385 1.977 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000076072849 441593536 /nfs/dbraw/zinc/59/35/36/441593536.db2.gz DJWRPYJDGZQGHM-LBPRGKRZSA-N 2 2 347.385 1.977 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000076074964 441594102 /nfs/dbraw/zinc/59/41/02/441594102.db2.gz FURLXPJDWCDNHI-VXGBXAGGSA-N 2 2 345.369 1.871 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000076074964 441594104 /nfs/dbraw/zinc/59/41/04/441594104.db2.gz FURLXPJDWCDNHI-VXGBXAGGSA-N 2 2 345.369 1.871 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000067289512 441624568 /nfs/dbraw/zinc/62/45/68/441624568.db2.gz XIMPPPLKWJQOLU-QZTJIDSGSA-N 2 2 339.524 1.970 20 0 EDADLP CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000076428578 441645636 /nfs/dbraw/zinc/64/56/36/441645636.db2.gz JRVUWBBRUPSJPU-UHFFFAOYSA-N 2 2 345.487 1.998 20 0 EDADLP CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000076428578 441645638 /nfs/dbraw/zinc/64/56/38/441645638.db2.gz JRVUWBBRUPSJPU-UHFFFAOYSA-N 2 2 345.487 1.998 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114480235 441663091 /nfs/dbraw/zinc/66/30/91/441663091.db2.gz XAPLIHPYUNQSQK-KRWDZBQOSA-N 2 2 333.476 1.682 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114480235 441663094 /nfs/dbraw/zinc/66/30/94/441663094.db2.gz XAPLIHPYUNQSQK-KRWDZBQOSA-N 2 2 333.476 1.682 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(C(=O)OC)o3)C2)CC1 ZINC000091558575 441712539 /nfs/dbraw/zinc/71/25/39/441712539.db2.gz HPIUBOWMKNIUEF-GJZGRUSLSA-N 2 2 335.448 1.839 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(C(=O)OC)o3)C2)CC1 ZINC000091558575 441712543 /nfs/dbraw/zinc/71/25/43/441712543.db2.gz HPIUBOWMKNIUEF-GJZGRUSLSA-N 2 2 335.448 1.839 20 0 EDADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](C2CC2)CC1 ZINC000158374056 441731802 /nfs/dbraw/zinc/73/18/02/441731802.db2.gz DMCSRXJGSBHANI-MRXNPFEDSA-N 2 2 332.448 1.906 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000121652820 441752069 /nfs/dbraw/zinc/75/20/69/441752069.db2.gz DZJCGKUAJFZIJV-UHFFFAOYSA-N 2 2 347.459 1.615 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000137188586 441755146 /nfs/dbraw/zinc/75/51/46/441755146.db2.gz MNXKEIJFABHBND-MSOLQXFVSA-N 2 2 343.471 1.566 20 0 EDADLP O=C(CN1CC[NH+](CCn2cc[nH+]c2)CC1)Nc1ccccc1F ZINC000077119933 441720790 /nfs/dbraw/zinc/72/07/90/441720790.db2.gz YDJOPCCSHBXRQW-UHFFFAOYSA-N 2 2 331.395 1.279 20 0 EDADLP CN(C)c1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000077165489 441726142 /nfs/dbraw/zinc/72/61/42/441726142.db2.gz DWFLHPPBGWMVRB-INIZCTEOSA-N 2 2 327.432 1.856 20 0 EDADLP CN(C)c1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000077165489 441726144 /nfs/dbraw/zinc/72/61/44/441726144.db2.gz DWFLHPPBGWMVRB-INIZCTEOSA-N 2 2 327.432 1.856 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000173603739 441801943 /nfs/dbraw/zinc/80/19/43/441801943.db2.gz JIMRHSNUBCVDBY-ZWKOTPCHSA-N 3 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000173603739 441801947 /nfs/dbraw/zinc/80/19/47/441801947.db2.gz JIMRHSNUBCVDBY-ZWKOTPCHSA-N 3 2 336.524 1.347 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068475732 441806919 /nfs/dbraw/zinc/80/69/19/441806919.db2.gz LNVNZKOJEOAJIK-CVEARBPZSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068475732 441806922 /nfs/dbraw/zinc/80/69/22/441806922.db2.gz LNVNZKOJEOAJIK-CVEARBPZSA-N 2 2 346.475 1.618 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000077804012 441863046 /nfs/dbraw/zinc/86/30/46/441863046.db2.gz MQRHPKPTSNXSHU-UHFFFAOYSA-N 2 2 333.480 1.793 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000140455145 441839152 /nfs/dbraw/zinc/83/91/52/441839152.db2.gz DKTPYPQEXXUNQB-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000174369001 441917713 /nfs/dbraw/zinc/91/77/13/441917713.db2.gz IMYNTJFWSNOIFZ-CVEARBPZSA-N 2 2 339.480 1.347 20 0 EDADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)CCC[NH3+] ZINC000123337429 441885044 /nfs/dbraw/zinc/88/50/44/441885044.db2.gz QUJCJLMBKYRNAN-UHFFFAOYSA-N 2 2 328.254 1.688 20 0 EDADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000123337429 441885051 /nfs/dbraw/zinc/88/50/51/441885051.db2.gz QUJCJLMBKYRNAN-UHFFFAOYSA-N 2 2 328.254 1.688 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000174661824 441951302 /nfs/dbraw/zinc/95/13/02/441951302.db2.gz OPCKANXEPIUKEV-KRWDZBQOSA-N 2 2 346.475 1.655 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000174661824 441951307 /nfs/dbraw/zinc/95/13/07/441951307.db2.gz OPCKANXEPIUKEV-KRWDZBQOSA-N 2 2 346.475 1.655 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)[C@H](C)C1 ZINC000119795522 441955028 /nfs/dbraw/zinc/95/50/28/441955028.db2.gz CWFFQNWPAVMAAK-MLGOLLRUSA-N 2 2 332.448 1.826 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)[C@H](C)C1 ZINC000119795522 441955034 /nfs/dbraw/zinc/95/50/34/441955034.db2.gz CWFFQNWPAVMAAK-MLGOLLRUSA-N 2 2 332.448 1.826 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnn(-c2ccccc2)n1 ZINC000174712531 441956001 /nfs/dbraw/zinc/95/60/01/441956001.db2.gz KZXOPDLNBPVMCM-UHFFFAOYSA-N 2 2 328.464 1.337 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnn(-c2ccccc2)n1 ZINC000174712531 441956004 /nfs/dbraw/zinc/95/60/04/441956004.db2.gz KZXOPDLNBPVMCM-UHFFFAOYSA-N 2 2 328.464 1.337 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)Nc1ccccc1 ZINC000150854490 441962775 /nfs/dbraw/zinc/96/27/75/441962775.db2.gz KYMQGUDOUNQSFS-OAHLLOKOSA-N 2 2 330.432 1.752 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)Nc1ccccc1 ZINC000150854490 441962778 /nfs/dbraw/zinc/96/27/78/441962778.db2.gz KYMQGUDOUNQSFS-OAHLLOKOSA-N 2 2 330.432 1.752 20 0 EDADLP Cc1cc(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc[nH+]1 ZINC000119949839 441980820 /nfs/dbraw/zinc/98/08/20/441980820.db2.gz MDMMDQOYSCBGIB-HNNXBMFYSA-N 2 2 335.452 1.604 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000151005521 441988959 /nfs/dbraw/zinc/98/89/59/441988959.db2.gz QDMTWPUIOXTBIM-ZFWWWQNUSA-N 2 2 348.472 1.765 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000161592157 442014989 /nfs/dbraw/zinc/01/49/89/442014989.db2.gz DSLYWNFGLALFMT-LJQANCHMSA-N 2 2 347.503 1.922 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000161592157 442014994 /nfs/dbraw/zinc/01/49/94/442014994.db2.gz DSLYWNFGLALFMT-LJQANCHMSA-N 2 2 347.503 1.922 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000120347827 442054343 /nfs/dbraw/zinc/05/43/43/442054343.db2.gz WXRMYFINYDOMOV-CHWSQXEVSA-N 2 2 344.381 1.838 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000120347827 442054346 /nfs/dbraw/zinc/05/43/46/442054346.db2.gz WXRMYFINYDOMOV-CHWSQXEVSA-N 2 2 344.381 1.838 20 0 EDADLP CCS[C@@H](C)c1noc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000161996724 442054537 /nfs/dbraw/zinc/05/45/37/442054537.db2.gz BQAYQVNNYFKXPQ-AWEZNQCLSA-N 2 2 341.525 1.953 20 0 EDADLP CCS[C@@H](C)c1noc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000161996724 442054542 /nfs/dbraw/zinc/05/45/42/442054542.db2.gz BQAYQVNNYFKXPQ-AWEZNQCLSA-N 2 2 341.525 1.953 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000175472340 442068940 /nfs/dbraw/zinc/06/89/40/442068940.db2.gz VAXBJJZJIOWZBD-UHFFFAOYSA-N 2 2 337.468 1.403 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CC[C@@H]2CCC[NH+]2C)C1 ZINC000120432877 442071844 /nfs/dbraw/zinc/07/18/44/442071844.db2.gz UPFJKBQXNYGIMB-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)C1 ZINC000120432877 442071850 /nfs/dbraw/zinc/07/18/50/442071850.db2.gz UPFJKBQXNYGIMB-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000120432877 442071853 /nfs/dbraw/zinc/07/18/53/442071853.db2.gz UPFJKBQXNYGIMB-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000120432877 442071860 /nfs/dbraw/zinc/07/18/60/442071860.db2.gz UPFJKBQXNYGIMB-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP Cc1ccc(OCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175526354 442079879 /nfs/dbraw/zinc/07/98/79/442079879.db2.gz CJQNVFFBKBZEDM-UHFFFAOYSA-N 2 2 348.491 1.699 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000079771501 442085091 /nfs/dbraw/zinc/08/50/91/442085091.db2.gz ILNBWFDLIFYWBB-UHFFFAOYSA-N 2 2 342.447 1.586 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175754207 442116428 /nfs/dbraw/zinc/11/64/28/442116428.db2.gz BHVZKLFYZUBLEX-KRWDZBQOSA-N 3 2 339.528 1.186 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175754207 442116430 /nfs/dbraw/zinc/11/64/30/442116430.db2.gz BHVZKLFYZUBLEX-KRWDZBQOSA-N 3 2 339.528 1.186 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000175852176 442134580 /nfs/dbraw/zinc/13/45/80/442134580.db2.gz SYKLGUJIPGBESJ-UHFFFAOYSA-N 2 2 345.447 1.640 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000175852176 442134583 /nfs/dbraw/zinc/13/45/83/442134583.db2.gz SYKLGUJIPGBESJ-UHFFFAOYSA-N 2 2 345.447 1.640 20 0 EDADLP CCOC(=O)CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163247033 442153244 /nfs/dbraw/zinc/15/32/44/442153244.db2.gz DXUFEPGHRPGCEM-UHFFFAOYSA-N 2 2 326.360 1.966 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000127007242 442161724 /nfs/dbraw/zinc/16/17/24/442161724.db2.gz HYRYQLGTQDOVTO-HZPDHXFCSA-N 2 2 341.415 1.250 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000127007242 442161725 /nfs/dbraw/zinc/16/17/25/442161725.db2.gz HYRYQLGTQDOVTO-HZPDHXFCSA-N 2 2 341.415 1.250 20 0 EDADLP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000170830420 442271234 /nfs/dbraw/zinc/27/12/34/442271234.db2.gz AIUDWTDQFUALHK-KRWDZBQOSA-N 2 2 327.432 1.777 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000128674747 442281572 /nfs/dbraw/zinc/28/15/72/442281572.db2.gz HHEGOTCVHDCUCR-CVEARBPZSA-N 2 2 332.448 1.135 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000177147571 442305387 /nfs/dbraw/zinc/30/53/87/442305387.db2.gz FEUCALZZRGOBBX-GQCTYLIASA-N 2 2 345.443 1.571 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000170766362 442260290 /nfs/dbraw/zinc/26/02/90/442260290.db2.gz VQZULDPHROTGDW-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000170766362 442260292 /nfs/dbraw/zinc/26/02/92/442260292.db2.gz VQZULDPHROTGDW-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)c2ccccc2C1=O ZINC000177349372 442331507 /nfs/dbraw/zinc/33/15/07/442331507.db2.gz UJYHTEHHYNPYLA-CABCVRRESA-N 2 2 327.428 1.841 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)c2ccccc2C1=O ZINC000177349372 442331510 /nfs/dbraw/zinc/33/15/10/442331510.db2.gz UJYHTEHHYNPYLA-CABCVRRESA-N 2 2 327.428 1.841 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)c2ccccc2C1=O ZINC000177349372 442331512 /nfs/dbraw/zinc/33/15/12/442331512.db2.gz UJYHTEHHYNPYLA-CABCVRRESA-N 2 2 327.428 1.841 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)c2ccccc2C1=O ZINC000177349372 442331516 /nfs/dbraw/zinc/33/15/16/442331516.db2.gz UJYHTEHHYNPYLA-CABCVRRESA-N 2 2 327.428 1.841 20 0 EDADLP c1cn(-c2ccc(CN3CC[NH+](C[C@H]4CCOC4)CC3)cn2)c[nH+]1 ZINC000177374161 442332966 /nfs/dbraw/zinc/33/29/66/442332966.db2.gz RKRDBNDQAKORDZ-QGZVFWFLSA-N 2 2 327.432 1.421 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000153938433 442312052 /nfs/dbraw/zinc/31/20/52/442312052.db2.gz HOQUKJHHIAHLMM-SJORKVTESA-N 2 2 333.501 1.939 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000153938433 442312053 /nfs/dbraw/zinc/31/20/53/442312053.db2.gz HOQUKJHHIAHLMM-SJORKVTESA-N 2 2 333.501 1.939 20 0 EDADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000153938433 442312054 /nfs/dbraw/zinc/31/20/54/442312054.db2.gz HOQUKJHHIAHLMM-SJORKVTESA-N 2 2 333.501 1.939 20 0 EDADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000153938433 442312055 /nfs/dbraw/zinc/31/20/55/442312055.db2.gz HOQUKJHHIAHLMM-SJORKVTESA-N 2 2 333.501 1.939 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000171101511 442312459 /nfs/dbraw/zinc/31/24/59/442312459.db2.gz IGWWHPZCKITKKH-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000171101511 442312460 /nfs/dbraw/zinc/31/24/60/442312460.db2.gz IGWWHPZCKITKKH-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC[NH2+]C(C)(C)C)CC2 ZINC000155477046 442401321 /nfs/dbraw/zinc/40/13/21/442401321.db2.gz NNJDJQOSTPDHDT-UHFFFAOYSA-N 2 2 349.475 1.566 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC[NH2+]C(C)(C)C)CC2 ZINC000155477046 442401323 /nfs/dbraw/zinc/40/13/23/442401323.db2.gz NNJDJQOSTPDHDT-UHFFFAOYSA-N 2 2 349.475 1.566 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000177541592 442355610 /nfs/dbraw/zinc/35/56/10/442355610.db2.gz BCEWNWJRGWJOFG-HOTGVXAUSA-N 2 2 335.452 1.025 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H](C)[C@@H]2C)CC1 ZINC000178591522 442446062 /nfs/dbraw/zinc/44/60/62/442446062.db2.gz KSLNROCBZMPOJH-ROUUACIJSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H](C)[C@@H]2C)CC1 ZINC000178591522 442446064 /nfs/dbraw/zinc/44/60/64/442446064.db2.gz KSLNROCBZMPOJH-ROUUACIJSA-N 2 2 345.487 1.748 20 0 EDADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000134180960 442455501 /nfs/dbraw/zinc/45/55/01/442455501.db2.gz FZFZYTCWBVJOND-HNNXBMFYSA-N 2 2 325.497 1.534 20 0 EDADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000134180960 442455505 /nfs/dbraw/zinc/45/55/05/442455505.db2.gz FZFZYTCWBVJOND-HNNXBMFYSA-N 2 2 325.497 1.534 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000172557017 442490109 /nfs/dbraw/zinc/49/01/09/442490109.db2.gz YCLJFARXNCLOOU-KRWDZBQOSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000172557017 442490112 /nfs/dbraw/zinc/49/01/12/442490112.db2.gz YCLJFARXNCLOOU-KRWDZBQOSA-N 2 2 347.507 1.431 20 0 EDADLP C[C@H]1CN(CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000191534965 442459741 /nfs/dbraw/zinc/45/97/41/442459741.db2.gz ZXSUAGJCLMDNBZ-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H]1CN(CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000191534965 442459745 /nfs/dbraw/zinc/45/97/45/442459745.db2.gz ZXSUAGJCLMDNBZ-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H]1C[N@H+](CCN(C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000191534965 442459750 /nfs/dbraw/zinc/45/97/50/442459750.db2.gz ZXSUAGJCLMDNBZ-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H]1C[N@@H+](CCN(C)C2CC[NH+](CCc3ccccn3)CC2)CCO1 ZINC000191534965 442459754 /nfs/dbraw/zinc/45/97/54/442459754.db2.gz ZXSUAGJCLMDNBZ-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NCCOc1ccccc1 ZINC000156308551 442465068 /nfs/dbraw/zinc/46/50/68/442465068.db2.gz YNHLILXNNCAVHO-SFHVURJKSA-N 2 2 341.411 1.730 20 0 EDADLP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NCCOc1ccccc1 ZINC000156308551 442465076 /nfs/dbraw/zinc/46/50/76/442465076.db2.gz YNHLILXNNCAVHO-SFHVURJKSA-N 2 2 341.411 1.730 20 0 EDADLP COC(=O)[C@]1(C)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000186363372 442520183 /nfs/dbraw/zinc/52/01/83/442520183.db2.gz WPSHTGRXRKGMAB-LPHOPBHVSA-N 2 2 347.459 1.433 20 0 EDADLP COC(=O)[C@]1(C)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000186363372 442520188 /nfs/dbraw/zinc/52/01/88/442520188.db2.gz WPSHTGRXRKGMAB-LPHOPBHVSA-N 2 2 347.459 1.433 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000192051696 442580272 /nfs/dbraw/zinc/58/02/72/442580272.db2.gz DFGIKQKMRBYUHR-AWEZNQCLSA-N 2 2 334.468 1.646 20 0 EDADLP CC1(C(=O)N2CC[NH+](CCO)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000157539794 442591881 /nfs/dbraw/zinc/59/18/81/442591881.db2.gz ASDBCMPXZNXGEL-UHFFFAOYSA-N 2 2 345.487 1.425 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCS1 ZINC000192176679 442607839 /nfs/dbraw/zinc/60/78/39/442607839.db2.gz ZBPCIUUUZIDEDC-AWEZNQCLSA-N 2 2 329.510 1.041 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCS1 ZINC000192176679 442607844 /nfs/dbraw/zinc/60/78/44/442607844.db2.gz ZBPCIUUUZIDEDC-AWEZNQCLSA-N 2 2 329.510 1.041 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000186565692 442563204 /nfs/dbraw/zinc/56/32/04/442563204.db2.gz IKDIFNWNDUQHBP-GOSISDBHSA-N 3 2 345.535 1.662 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000192359039 442639553 /nfs/dbraw/zinc/63/95/53/442639553.db2.gz XDEICJKWKQQQKK-WMLDXEAASA-N 2 2 331.460 1.912 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C[C@H]1CC ZINC000192530275 442658368 /nfs/dbraw/zinc/65/83/68/442658368.db2.gz CEOXNCLPONUILD-IEBWSBKVSA-N 2 2 333.476 1.820 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C[C@H]1CC ZINC000192530275 442658370 /nfs/dbraw/zinc/65/83/70/442658370.db2.gz CEOXNCLPONUILD-IEBWSBKVSA-N 2 2 333.476 1.820 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000136043362 442648004 /nfs/dbraw/zinc/64/80/04/442648004.db2.gz NKJQOMDSIZPYKF-OAHLLOKOSA-N 2 2 334.464 1.451 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000136121495 442651808 /nfs/dbraw/zinc/65/18/08/442651808.db2.gz PZGLIIZKIYWDJZ-INIZCTEOSA-N 2 2 332.492 1.737 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000136121495 442651811 /nfs/dbraw/zinc/65/18/11/442651811.db2.gz PZGLIIZKIYWDJZ-INIZCTEOSA-N 2 2 332.492 1.737 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cocn3)c2)C1 ZINC000192310300 442630827 /nfs/dbraw/zinc/63/08/27/442630827.db2.gz AOESYZRXADAQID-INIZCTEOSA-N 2 2 328.416 1.662 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cocn3)c2)C1 ZINC000192310300 442630832 /nfs/dbraw/zinc/63/08/32/442630832.db2.gz AOESYZRXADAQID-INIZCTEOSA-N 2 2 328.416 1.662 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCCc3occc32)CN1CC[NH+]1CCOCC1 ZINC000193003466 442704416 /nfs/dbraw/zinc/70/44/16/442704416.db2.gz MEWXFLZQYDVFEL-HOCLYGCPSA-N 2 2 333.432 1.180 20 0 EDADLP COc1ncccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000193451079 442743989 /nfs/dbraw/zinc/74/39/89/442743989.db2.gz LDWXTYZTUJIYBP-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1ncccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193451079 442743990 /nfs/dbraw/zinc/74/39/90/442743990.db2.gz LDWXTYZTUJIYBP-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1ncccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000193451079 442743992 /nfs/dbraw/zinc/74/39/92/442743992.db2.gz LDWXTYZTUJIYBP-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1ncccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193451079 442743995 /nfs/dbraw/zinc/74/39/95/442743995.db2.gz LDWXTYZTUJIYBP-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP CC(C)(CNC(=O)NC1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000193612312 442759248 /nfs/dbraw/zinc/75/92/48/442759248.db2.gz PJWYDPUAUPSKOK-UHFFFAOYSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nccn1C ZINC000182697375 442809044 /nfs/dbraw/zinc/80/90/44/442809044.db2.gz IUGIPQIYKXTYTJ-OAHLLOKOSA-N 2 2 342.447 1.205 20 0 EDADLP C[C@@H]1COCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000194495302 442906808 /nfs/dbraw/zinc/90/68/08/442906808.db2.gz ARMPBNSICXYZNQ-IAGOWNOFSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000182900384 318514698 /nfs/dbraw/zinc/51/46/98/318514698.db2.gz QAXPHZLZMBKJKY-ZWKOTPCHSA-N 2 2 347.507 1.586 20 0 EDADLP CC1CC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000184404653 318534461 /nfs/dbraw/zinc/53/44/61/318534461.db2.gz BOCFSUQNTQMWSL-HWOWSKLDSA-N 2 2 331.464 1.670 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000189383481 442934646 /nfs/dbraw/zinc/93/46/46/442934646.db2.gz GECBLOZKPMQKIN-AWEZNQCLSA-N 2 2 346.431 1.506 20 0 EDADLP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H](O)C(F)(F)F ZINC000189467176 442961112 /nfs/dbraw/zinc/96/11/12/442961112.db2.gz NTMHXUCSCOSTCM-ZDUSSCGKSA-N 2 2 339.402 1.221 20 0 EDADLP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@H](O)C(F)(F)F ZINC000189467176 442961118 /nfs/dbraw/zinc/96/11/18/442961118.db2.gz NTMHXUCSCOSTCM-ZDUSSCGKSA-N 2 2 339.402 1.221 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](O)[C@@H](C)C3)CC2)c1 ZINC000249550340 442985835 /nfs/dbraw/zinc/98/58/35/442985835.db2.gz HSEMMSNHGJFCMI-HKUYNNGSSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](O)[C@@H](C)C3)CC2)c1 ZINC000249550340 442985838 /nfs/dbraw/zinc/98/58/38/442985838.db2.gz HSEMMSNHGJFCMI-HKUYNNGSSA-N 2 2 345.487 1.342 20 0 EDADLP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266034650 442996756 /nfs/dbraw/zinc/99/67/56/442996756.db2.gz TYGLVLBGVUWXCT-INIZCTEOSA-N 2 2 328.460 1.770 20 0 EDADLP Cn1c2ccccc2nc1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266034650 442996757 /nfs/dbraw/zinc/99/67/57/442996757.db2.gz TYGLVLBGVUWXCT-INIZCTEOSA-N 2 2 328.460 1.770 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C[C@@H]1[NH+](C)C ZINC000268338095 442953310 /nfs/dbraw/zinc/95/33/10/442953310.db2.gz GJBJNEYLUOVFHC-ZBFHGGJFSA-N 2 2 347.463 1.010 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184427338 443019987 /nfs/dbraw/zinc/01/99/87/443019987.db2.gz PCURMGPSBQNWCR-UONOGXRCSA-N 2 2 345.472 1.926 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]Cc1cc(Br)ccc1OC ZINC000184546047 443037081 /nfs/dbraw/zinc/03/70/81/443037081.db2.gz HHFBFLOMLNCWSX-UHFFFAOYSA-N 2 2 331.254 1.862 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(Br)ccc1OC ZINC000184546047 443037086 /nfs/dbraw/zinc/03/70/86/443037086.db2.gz HHFBFLOMLNCWSX-UHFFFAOYSA-N 2 2 331.254 1.862 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn4cccnc4n3)cn2)CC1 ZINC000268578326 443040445 /nfs/dbraw/zinc/04/04/45/443040445.db2.gz IVECYGANTVBNJR-UHFFFAOYSA-N 2 2 337.431 1.166 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000268713093 443085611 /nfs/dbraw/zinc/08/56/11/443085611.db2.gz USCGOLZXILIFMS-HNNXBMFYSA-N 2 2 332.448 1.731 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266300009 443091223 /nfs/dbraw/zinc/09/12/23/443091223.db2.gz MJVZDRTUZCDTQL-OAHLLOKOSA-N 2 2 341.459 1.670 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000184837819 443084362 /nfs/dbraw/zinc/08/43/62/443084362.db2.gz PRTIHSGTDYJSJT-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c(C)[nH+]1 ZINC000268713093 443085607 /nfs/dbraw/zinc/08/56/07/443085607.db2.gz USCGOLZXILIFMS-HNNXBMFYSA-N 2 2 332.448 1.731 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000185127016 443144032 /nfs/dbraw/zinc/14/40/32/443144032.db2.gz SWEJRNARNNCLHV-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000185127016 443144034 /nfs/dbraw/zinc/14/40/34/443144034.db2.gz SWEJRNARNNCLHV-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP CC[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000269012413 443172362 /nfs/dbraw/zinc/17/23/62/443172362.db2.gz NDVJGOGMWVAEKT-UYAOXDASSA-N 2 2 331.504 1.943 20 0 EDADLP CC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000269012413 443172368 /nfs/dbraw/zinc/17/23/68/443172368.db2.gz NDVJGOGMWVAEKT-UYAOXDASSA-N 2 2 331.504 1.943 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000269012413 443172374 /nfs/dbraw/zinc/17/23/74/443172374.db2.gz NDVJGOGMWVAEKT-UYAOXDASSA-N 2 2 331.504 1.943 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261909024 443173618 /nfs/dbraw/zinc/17/36/18/443173618.db2.gz XJKYMZBMZUZCEB-LJQANCHMSA-N 2 2 346.475 1.778 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261909024 443173624 /nfs/dbraw/zinc/17/36/24/443173624.db2.gz XJKYMZBMZUZCEB-LJQANCHMSA-N 2 2 346.475 1.778 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000262047420 443181097 /nfs/dbraw/zinc/18/10/97/443181097.db2.gz UQQHDXBEJCGVNQ-ROUUACIJSA-N 2 2 331.460 1.443 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000262047420 443181102 /nfs/dbraw/zinc/18/11/02/443181102.db2.gz UQQHDXBEJCGVNQ-ROUUACIJSA-N 2 2 331.460 1.443 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cnn(Cc2ccccc2)c1 ZINC000268928360 443149263 /nfs/dbraw/zinc/14/92/63/443149263.db2.gz QFHKJWCEODQFGI-LPHOPBHVSA-N 2 2 327.476 1.828 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cnn(Cc2ccccc2)c1 ZINC000268928360 443149267 /nfs/dbraw/zinc/14/92/67/443149267.db2.gz QFHKJWCEODQFGI-LPHOPBHVSA-N 2 2 327.476 1.828 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000262484593 443197787 /nfs/dbraw/zinc/19/77/87/443197787.db2.gz KGLJVWCLYNXQPW-HNNXBMFYSA-N 2 2 325.478 1.368 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000262484593 443197788 /nfs/dbraw/zinc/19/77/88/443197788.db2.gz KGLJVWCLYNXQPW-HNNXBMFYSA-N 2 2 325.478 1.368 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1C[NH+]1CCOCC1 ZINC000266711940 443216695 /nfs/dbraw/zinc/21/66/95/443216695.db2.gz JNLKWSBDMXDQTO-MOPGFXCFSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1C[NH+]1CCOCC1 ZINC000266711940 443216699 /nfs/dbraw/zinc/21/66/99/443216699.db2.gz JNLKWSBDMXDQTO-MOPGFXCFSA-N 2 2 343.471 1.875 20 0 EDADLP CC[NH+]1CCN(C(=O)Cc2noc([C@H](C)[NH+]3CCCCCC3)n2)CC1 ZINC000350715239 319064466 /nfs/dbraw/zinc/06/44/66/319064466.db2.gz WJJIOQJZDWEUHK-HNNXBMFYSA-N 2 2 349.479 1.713 20 0 EDADLP COc1ccccc1NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652053 319112329 /nfs/dbraw/zinc/11/23/29/319112329.db2.gz UGGADKDNNOPNHQ-AWEZNQCLSA-N 2 2 335.448 1.411 20 0 EDADLP COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652053 319112330 /nfs/dbraw/zinc/11/23/30/319112330.db2.gz UGGADKDNNOPNHQ-AWEZNQCLSA-N 2 2 335.448 1.411 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)n1C ZINC000382718750 319124521 /nfs/dbraw/zinc/12/45/21/319124521.db2.gz DXOFQUSPEWOCSW-AWEZNQCLSA-N 2 2 337.468 1.879 20 0 EDADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624591 319190273 /nfs/dbraw/zinc/19/02/73/319190273.db2.gz YISXSNQBGUAGKD-QZTJIDSGSA-N 2 2 332.444 1.781 20 0 EDADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624591 319190276 /nfs/dbraw/zinc/19/02/76/319190276.db2.gz YISXSNQBGUAGKD-QZTJIDSGSA-N 2 2 332.444 1.781 20 0 EDADLP COCCNC(=O)C1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000414213897 319321103 /nfs/dbraw/zinc/32/11/03/319321103.db2.gz RWXNIJJOSFKKFC-AEFFLSMTSA-N 2 2 345.487 1.924 20 0 EDADLP COCCNC(=O)C1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000414213897 319321105 /nfs/dbraw/zinc/32/11/05/319321105.db2.gz RWXNIJJOSFKKFC-AEFFLSMTSA-N 2 2 345.487 1.924 20 0 EDADLP COC(=O)c1cccc(OCC[NH+]2CCC([N@H+](C)CCO)CC2)c1 ZINC000264304570 443257599 /nfs/dbraw/zinc/25/75/99/443257599.db2.gz WULBVWCOCXNTRM-UHFFFAOYSA-N 2 2 336.432 1.241 20 0 EDADLP COC(=O)c1cccc(OCC[NH+]2CCC([N@@H+](C)CCO)CC2)c1 ZINC000264304570 443257605 /nfs/dbraw/zinc/25/76/05/443257605.db2.gz WULBVWCOCXNTRM-UHFFFAOYSA-N 2 2 336.432 1.241 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)C1 ZINC000414689737 319342709 /nfs/dbraw/zinc/34/27/09/319342709.db2.gz GSVAZIZEPJZFSI-WMLDXEAASA-N 2 2 335.423 1.396 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000415904628 319383309 /nfs/dbraw/zinc/38/33/09/319383309.db2.gz GWRZWRKQAGDUDT-UHFFFAOYSA-N 2 2 342.447 1.869 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC[C@@]3(C)C(N)=O)c2cc1C ZINC000185967257 443291514 /nfs/dbraw/zinc/29/15/14/443291514.db2.gz AIFPHJBWFMPULB-BEFAXECRSA-N 2 2 344.459 1.744 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC[C@@]3(C)C(N)=O)c2cc1C ZINC000185967257 443291517 /nfs/dbraw/zinc/29/15/17/443291517.db2.gz AIFPHJBWFMPULB-BEFAXECRSA-N 2 2 344.459 1.744 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000269287092 443267822 /nfs/dbraw/zinc/26/78/22/443267822.db2.gz SQBCXYRTCLDOEL-CQSZACIVSA-N 2 2 333.436 1.442 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000269287092 443267827 /nfs/dbraw/zinc/26/78/27/443267827.db2.gz SQBCXYRTCLDOEL-CQSZACIVSA-N 2 2 333.436 1.442 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cn1 ZINC000266931791 443294298 /nfs/dbraw/zinc/29/42/98/443294298.db2.gz OVEQVRQOMSNLGX-HIFRSBDPSA-N 2 2 328.420 1.518 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cn1 ZINC000266931791 443294300 /nfs/dbraw/zinc/29/43/00/443294300.db2.gz OVEQVRQOMSNLGX-HIFRSBDPSA-N 2 2 328.420 1.518 20 0 EDADLP CCOCC[NH+]1CCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191483861 443301366 /nfs/dbraw/zinc/30/13/66/443301366.db2.gz QOFNUBWMXMHELF-UHFFFAOYSA-N 2 2 326.529 1.057 20 0 EDADLP COCC1(CNC(=O)NCCc2cn3ccccc3[nH+]2)CC[NH2+]CC1 ZINC000416951823 319484044 /nfs/dbraw/zinc/48/40/44/319484044.db2.gz TUYVUJAFIMRMLD-UHFFFAOYSA-N 2 2 345.447 1.192 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CCCC1 ZINC000417466969 319495381 /nfs/dbraw/zinc/49/53/81/319495381.db2.gz LLCKMUURNGVCSY-LLVKDONJSA-N 2 2 333.358 1.762 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000266944336 443298598 /nfs/dbraw/zinc/29/85/98/443298598.db2.gz VVJQGYWXMCYKRU-LMMKCTJWSA-N 2 2 345.487 1.686 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000266944336 443298600 /nfs/dbraw/zinc/29/86/00/443298600.db2.gz VVJQGYWXMCYKRU-LMMKCTJWSA-N 2 2 345.487 1.686 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000278595950 443372945 /nfs/dbraw/zinc/37/29/45/443372945.db2.gz LOQYPINZHCFTHN-IYBDPMFKSA-N 2 2 347.459 1.869 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420366440 319610964 /nfs/dbraw/zinc/61/09/64/319610964.db2.gz RCGDKMKAHKUNMP-HNNXBMFYSA-N 2 2 334.464 1.267 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000420370833 319611980 /nfs/dbraw/zinc/61/19/80/319611980.db2.gz PDYJQTLNGINWIP-ZYKCCNLVSA-N 2 2 349.475 1.857 20 0 EDADLP COc1cc2[nH+]c(NCC[NH+]3CCSCC3)nc(N)c2cc1OC ZINC000264780320 443421615 /nfs/dbraw/zinc/42/16/15/443421615.db2.gz IMAKDBMLWCTVSP-UHFFFAOYSA-N 2 2 349.460 1.690 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCc2ccc(O)cc2)CC1 ZINC000267396846 443443872 /nfs/dbraw/zinc/44/38/72/443443872.db2.gz XGEBPUBRBHPYKM-UHFFFAOYSA-N 2 2 348.491 1.650 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccccc1C=O ZINC000264930634 443481870 /nfs/dbraw/zinc/48/18/70/443481870.db2.gz SEQKSNZICSYETD-UHFFFAOYSA-N 2 2 347.459 1.362 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccccc1C=O ZINC000264930634 443481873 /nfs/dbraw/zinc/48/18/73/443481873.db2.gz SEQKSNZICSYETD-UHFFFAOYSA-N 2 2 347.459 1.362 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)ccc2[nH+]1 ZINC000267431418 443455239 /nfs/dbraw/zinc/45/52/39/443455239.db2.gz GWQJUQDUTOBFLZ-OAHLLOKOSA-N 2 2 343.431 1.829 20 0 EDADLP CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267439758 443458732 /nfs/dbraw/zinc/45/87/32/443458732.db2.gz OWJDWCPQBIIPDD-GOEBONIOSA-N 2 2 349.456 1.726 20 0 EDADLP CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267439758 443458736 /nfs/dbraw/zinc/45/87/36/443458736.db2.gz OWJDWCPQBIIPDD-GOEBONIOSA-N 2 2 349.456 1.726 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422741346 319736937 /nfs/dbraw/zinc/73/69/37/319736937.db2.gz PQDWXCMJJKQOJM-RHSMWYFYSA-N 2 2 339.505 1.994 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000423517314 319780423 /nfs/dbraw/zinc/78/04/23/319780423.db2.gz XWBUIFVSONIYOY-UHFFFAOYSA-N 2 2 327.375 1.940 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000279318608 443554136 /nfs/dbraw/zinc/55/41/36/443554136.db2.gz FWHIVDIKPBUIBW-AEFFLSMTSA-N 2 2 342.443 1.260 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000279318608 443554138 /nfs/dbraw/zinc/55/41/38/443554138.db2.gz FWHIVDIKPBUIBW-AEFFLSMTSA-N 2 2 342.443 1.260 20 0 EDADLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272335200 443595390 /nfs/dbraw/zinc/59/53/90/443595390.db2.gz NMBZHVSMSGUWRX-GOEBONIOSA-N 2 2 325.416 1.966 20 0 EDADLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272335200 443595392 /nfs/dbraw/zinc/59/53/92/443595392.db2.gz NMBZHVSMSGUWRX-GOEBONIOSA-N 2 2 325.416 1.966 20 0 EDADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272335202 443595561 /nfs/dbraw/zinc/59/55/61/443595561.db2.gz NMBZHVSMSGUWRX-HOCLYGCPSA-N 2 2 325.416 1.966 20 0 EDADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272335202 443595565 /nfs/dbraw/zinc/59/55/65/443595565.db2.gz NMBZHVSMSGUWRX-HOCLYGCPSA-N 2 2 325.416 1.966 20 0 EDADLP COC(=O)[C@H](c1ccsc1)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000279950546 443648065 /nfs/dbraw/zinc/64/80/65/443648065.db2.gz HRSXPFWKGHCDQP-CJNGLKHVSA-N 2 2 340.489 1.987 20 0 EDADLP COC(=O)[C@H](c1ccsc1)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000279950546 443648068 /nfs/dbraw/zinc/64/80/68/443648068.db2.gz HRSXPFWKGHCDQP-CJNGLKHVSA-N 2 2 340.489 1.987 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000434268269 319996003 /nfs/dbraw/zinc/99/60/03/319996003.db2.gz IAGDCNQNSBDDBZ-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)C2 ZINC000434871252 320006205 /nfs/dbraw/zinc/00/62/05/320006205.db2.gz VPONBAWTAVMOLS-STQMWFEESA-N 2 2 336.505 1.707 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279917574 443641773 /nfs/dbraw/zinc/64/17/73/443641773.db2.gz QDNXURHGHHQUSX-INIZCTEOSA-N 2 2 330.432 1.792 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279917574 443641775 /nfs/dbraw/zinc/64/17/75/443641775.db2.gz QDNXURHGHHQUSX-INIZCTEOSA-N 2 2 330.432 1.792 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000276197122 443667228 /nfs/dbraw/zinc/66/72/28/443667228.db2.gz CKDXTRMCYWMZSB-JKSUJKDBSA-N 2 2 348.495 1.423 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000276197122 443667233 /nfs/dbraw/zinc/66/72/33/443667233.db2.gz CKDXTRMCYWMZSB-JKSUJKDBSA-N 2 2 348.495 1.423 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276197122 443667235 /nfs/dbraw/zinc/66/72/35/443667235.db2.gz CKDXTRMCYWMZSB-JKSUJKDBSA-N 2 2 348.495 1.423 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276197122 443667240 /nfs/dbraw/zinc/66/72/40/443667240.db2.gz CKDXTRMCYWMZSB-JKSUJKDBSA-N 2 2 348.495 1.423 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@@H+]1C1CC1 ZINC000449376633 320185535 /nfs/dbraw/zinc/18/55/35/320185535.db2.gz MBCWZUWTBLLMEJ-AAEUAGOBSA-N 2 2 340.265 1.826 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)C[N@H+]1C1CC1 ZINC000449376633 320185537 /nfs/dbraw/zinc/18/55/37/320185537.db2.gz MBCWZUWTBLLMEJ-AAEUAGOBSA-N 2 2 340.265 1.826 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C12CCOCC2 ZINC000453267647 320261421 /nfs/dbraw/zinc/26/14/21/320261421.db2.gz PKSOZDJMDZPBDL-GVDBMIGSSA-N 2 2 326.481 1.397 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C12CCOCC2 ZINC000453267647 320261422 /nfs/dbraw/zinc/26/14/22/320261422.db2.gz PKSOZDJMDZPBDL-GVDBMIGSSA-N 2 2 326.481 1.397 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C12CCOCC2 ZINC000453282303 320262338 /nfs/dbraw/zinc/26/23/38/320262338.db2.gz DPBWAACFXXDGHV-GVDBMIGSSA-N 2 2 326.481 1.397 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C12CCOCC2 ZINC000453282303 320262339 /nfs/dbraw/zinc/26/23/39/320262339.db2.gz DPBWAACFXXDGHV-GVDBMIGSSA-N 2 2 326.481 1.397 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000458827456 320342472 /nfs/dbraw/zinc/34/24/72/320342472.db2.gz CDQGKSJLQLXJKF-AWEZNQCLSA-N 2 2 349.479 1.516 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000458827456 320342473 /nfs/dbraw/zinc/34/24/73/320342473.db2.gz CDQGKSJLQLXJKF-AWEZNQCLSA-N 2 2 349.479 1.516 20 0 EDADLP C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCc3c[nH+]cn3C)CC2)C1 ZINC000459362016 320347232 /nfs/dbraw/zinc/34/72/32/320347232.db2.gz GJENULUWVZQGHL-DLBZAZTESA-N 2 2 347.507 1.275 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000492323322 320377498 /nfs/dbraw/zinc/37/74/98/320377498.db2.gz UXVHTVXCJFPXGF-WLMCBFPDSA-N 2 2 332.448 1.630 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000492856807 320388553 /nfs/dbraw/zinc/38/85/53/320388553.db2.gz JDNIIYALPONXKP-WAYWQWQTSA-N 2 2 340.427 1.696 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276383773 443694566 /nfs/dbraw/zinc/69/45/66/443694566.db2.gz ZIXBINVIMRKHHR-OAHLLOKOSA-N 2 2 329.448 1.875 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000276560253 443747030 /nfs/dbraw/zinc/74/70/30/443747030.db2.gz LNTICHMZXJPWIK-MRXNPFEDSA-N 2 2 332.448 1.725 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000276560253 443747034 /nfs/dbraw/zinc/74/70/34/443747034.db2.gz LNTICHMZXJPWIK-MRXNPFEDSA-N 2 2 332.448 1.725 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3nccnc3C)CC2)CC1 ZINC000616381220 450407314 /nfs/dbraw/zinc/40/73/14/450407314.db2.gz LQEXICXUYQLHAX-UHFFFAOYSA-N 2 2 331.464 1.417 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3nccnc3C)CC2)CC1 ZINC000616381220 450407318 /nfs/dbraw/zinc/40/73/18/450407318.db2.gz LQEXICXUYQLHAX-UHFFFAOYSA-N 2 2 331.464 1.417 20 0 EDADLP c1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nn1-c1ccccc1 ZINC000530239417 320616761 /nfs/dbraw/zinc/61/67/61/320616761.db2.gz FRNZEDQNSOELRY-SFHVURJKSA-N 2 2 341.459 1.858 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000292951721 443886403 /nfs/dbraw/zinc/88/64/03/443886403.db2.gz IRZUKXZGCJVJDR-LJQANCHMSA-N 3 2 340.471 1.656 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000281371255 443893117 /nfs/dbraw/zinc/89/31/17/443893117.db2.gz DSJVCNCPRFZDDX-AWEZNQCLSA-N 2 2 341.415 1.759 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000281371255 443893118 /nfs/dbraw/zinc/89/31/18/443893118.db2.gz DSJVCNCPRFZDDX-AWEZNQCLSA-N 2 2 341.415 1.759 20 0 EDADLP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)C[C@H](C)O1 ZINC000285131044 443867061 /nfs/dbraw/zinc/86/70/61/443867061.db2.gz LKRVOIXNKDBGPX-HLLBOEOZSA-N 2 2 344.463 1.768 20 0 EDADLP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2cccnc2)C[C@H](C)O1 ZINC000285131044 443867066 /nfs/dbraw/zinc/86/70/66/443867066.db2.gz LKRVOIXNKDBGPX-HLLBOEOZSA-N 2 2 344.463 1.768 20 0 EDADLP COC(=O)C[N@H+](CC[C@H](C)c1ccccc1)CCN1CC[NH+](C)CC1 ZINC000281283800 443868846 /nfs/dbraw/zinc/86/88/46/443868846.db2.gz ONSYGIXYOBEMJP-SFHVURJKSA-N 2 2 347.503 1.903 20 0 EDADLP COC(=O)C[N@@H+](CC[C@H](C)c1ccccc1)CCN1CC[NH+](C)CC1 ZINC000281283800 443868849 /nfs/dbraw/zinc/86/88/49/443868849.db2.gz ONSYGIXYOBEMJP-SFHVURJKSA-N 2 2 347.503 1.903 20 0 EDADLP CNC(=O)[C@@]1(C)CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285319537 443940250 /nfs/dbraw/zinc/94/02/50/443940250.db2.gz NLCUSFZNZDIPOE-FQEVSTJZSA-N 2 2 344.503 1.657 20 0 EDADLP CNC(=O)[C@@]1(C)CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285319537 443940252 /nfs/dbraw/zinc/94/02/52/443940252.db2.gz NLCUSFZNZDIPOE-FQEVSTJZSA-N 2 2 344.503 1.657 20 0 EDADLP CC[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000281409078 443903018 /nfs/dbraw/zinc/90/30/18/443903018.db2.gz OALOERSHMQIAQP-KRWDZBQOSA-N 2 2 346.475 1.621 20 0 EDADLP CC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000281409078 443903021 /nfs/dbraw/zinc/90/30/21/443903021.db2.gz OALOERSHMQIAQP-KRWDZBQOSA-N 2 2 346.475 1.621 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285508262 444010472 /nfs/dbraw/zinc/01/04/72/444010472.db2.gz ANNACCFACQRSBY-UKRRQHHQSA-N 2 2 333.432 1.515 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000561128102 321033982 /nfs/dbraw/zinc/03/39/82/321033982.db2.gz JHYPCDUXHVFVOD-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000562664458 321067247 /nfs/dbraw/zinc/06/72/47/321067247.db2.gz DKOWAJAQSPNKNZ-DLBZAZTESA-N 2 2 327.432 1.707 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000562664458 321067249 /nfs/dbraw/zinc/06/72/49/321067249.db2.gz DKOWAJAQSPNKNZ-DLBZAZTESA-N 2 2 327.432 1.707 20 0 EDADLP Cc1ccc(C2(CNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CC2)c(C)c1 ZINC000562818499 321078768 /nfs/dbraw/zinc/07/87/68/321078768.db2.gz RIWCFUCHWMBJHH-INIZCTEOSA-N 2 2 330.476 1.619 20 0 EDADLP [NH3+]CCCCC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000563212985 321100802 /nfs/dbraw/zinc/10/08/02/321100802.db2.gz INEDJWQUCMTNDE-UHFFFAOYSA-N 2 2 345.447 1.505 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)nc(C)n3)CC2)CC1 ZINC000564817925 321148920 /nfs/dbraw/zinc/14/89/20/321148920.db2.gz DULPUEQCAYSWEB-UHFFFAOYSA-N 2 2 345.491 1.726 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)nc(C)n3)CC2)CC1 ZINC000564817925 321148922 /nfs/dbraw/zinc/14/89/22/321148922.db2.gz DULPUEQCAYSWEB-UHFFFAOYSA-N 2 2 345.491 1.726 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CCCC[C@@H]3[NH3+])c[nH+]2)CCO1 ZINC000564910327 321156008 /nfs/dbraw/zinc/15/60/08/321156008.db2.gz LVYNXNXEJKQNKQ-OIISXLGYSA-N 2 2 346.475 1.831 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)c1 ZINC000564915437 321156740 /nfs/dbraw/zinc/15/67/40/321156740.db2.gz HMPXKZAVFQEYSE-RHSMWYFYSA-N 2 2 347.459 1.346 20 0 EDADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000564976043 321162380 /nfs/dbraw/zinc/16/23/80/321162380.db2.gz RPGYWUBNTFCKKX-RTBURBONSA-N 2 2 336.476 1.171 20 0 EDADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000564976043 321162382 /nfs/dbraw/zinc/16/23/82/321162382.db2.gz RPGYWUBNTFCKKX-RTBURBONSA-N 2 2 336.476 1.171 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC12CCOCC2 ZINC000565245826 321179024 /nfs/dbraw/zinc/17/90/24/321179024.db2.gz NRPMTPURADURAT-CYBMUJFWSA-N 2 2 329.404 1.554 20 0 EDADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)C1 ZINC000565542201 321190848 /nfs/dbraw/zinc/19/08/48/321190848.db2.gz COMWRYCQNNMTNP-XBXGTLAGSA-N 2 2 347.850 1.369 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000565764916 321199788 /nfs/dbraw/zinc/19/97/88/321199788.db2.gz WGDRYURRGKWZTG-CALCHBBNSA-N 3 2 349.523 1.081 20 0 EDADLP FC(F)Oc1ccc([C@@H]2C[N@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000567471961 321242777 /nfs/dbraw/zinc/24/27/77/321242777.db2.gz FPOCBWSPQPSJNJ-INIZCTEOSA-N 2 2 341.402 1.567 20 0 EDADLP FC(F)Oc1ccc([C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000567471961 321242778 /nfs/dbraw/zinc/24/27/78/321242778.db2.gz FPOCBWSPQPSJNJ-INIZCTEOSA-N 2 2 341.402 1.567 20 0 EDADLP CC(C)N(C)c1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567477937 321243698 /nfs/dbraw/zinc/24/36/98/321243698.db2.gz QCBDQODKNKSDPN-MRXNPFEDSA-N 2 2 333.480 1.316 20 0 EDADLP CC(C)N(C)c1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567477937 321243699 /nfs/dbraw/zinc/24/36/99/321243699.db2.gz QCBDQODKNKSDPN-MRXNPFEDSA-N 2 2 333.480 1.316 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000568230628 321283389 /nfs/dbraw/zinc/28/33/89/321283389.db2.gz ZEHJMFSPYMUTRP-RRFJBIMHSA-N 2 2 326.485 1.173 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC2CC[NH2+]CC2)[NH+]2CCOCC2)cc1 ZINC000568229517 321283510 /nfs/dbraw/zinc/28/35/10/321283510.db2.gz ISJDDAYWIWPKQV-SFHVURJKSA-N 2 2 346.475 1.420 20 0 EDADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000568491593 321293854 /nfs/dbraw/zinc/29/38/54/321293854.db2.gz NMCVYWBKJPZNJW-CHWSQXEVSA-N 2 2 326.347 1.242 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1C ZINC000568588120 321297898 /nfs/dbraw/zinc/29/78/98/321297898.db2.gz FVELBUNUQRLBCX-TZMCWYRMSA-N 2 2 329.404 1.214 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1C ZINC000568588120 321297899 /nfs/dbraw/zinc/29/78/99/321297899.db2.gz FVELBUNUQRLBCX-TZMCWYRMSA-N 2 2 329.404 1.214 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC1(c2ccccc2)CCC1 ZINC000568764955 321305283 /nfs/dbraw/zinc/30/52/83/321305283.db2.gz XARWGFVOIWUCOG-UHFFFAOYSA-N 2 2 339.443 1.727 20 0 EDADLP COCCOC[C@H](O)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000569072087 321317484 /nfs/dbraw/zinc/31/74/84/321317484.db2.gz YQOWOLICFLCJDP-GOSISDBHSA-N 2 2 336.476 1.437 20 0 EDADLP COCCOC[C@H](O)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000569072087 321317485 /nfs/dbraw/zinc/31/74/85/321317485.db2.gz YQOWOLICFLCJDP-GOSISDBHSA-N 2 2 336.476 1.437 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000570667224 321353396 /nfs/dbraw/zinc/35/33/96/321353396.db2.gz QRNVVCJHTVVXLP-DOTOQJQBSA-N 2 2 346.475 1.520 20 0 EDADLP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000570810874 321359334 /nfs/dbraw/zinc/35/93/34/321359334.db2.gz AOGWCIMWHAIKOZ-UHFFFAOYSA-N 2 2 343.431 1.505 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000570934120 321364671 /nfs/dbraw/zinc/36/46/71/321364671.db2.gz GKKWNSMVHGCDMX-BEFAXECRSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000570934120 321364673 /nfs/dbraw/zinc/36/46/73/321364673.db2.gz GKKWNSMVHGCDMX-BEFAXECRSA-N 3 2 344.503 1.424 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCN3CCOC[C@@H]3C)c2cc1C ZINC000572992332 321443053 /nfs/dbraw/zinc/44/30/53/321443053.db2.gz GDRLCQDDRWNNSX-DLBZAZTESA-N 2 2 346.475 1.324 20 0 EDADLP COC(=O)COc1ccc(C[N@H+](C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000289490584 444157207 /nfs/dbraw/zinc/15/72/07/444157207.db2.gz JJCXBUQSHNHJLZ-INIZCTEOSA-N 2 2 336.432 1.125 20 0 EDADLP COC(=O)COc1ccc(C[N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000289490584 444157209 /nfs/dbraw/zinc/15/72/09/444157209.db2.gz JJCXBUQSHNHJLZ-INIZCTEOSA-N 2 2 336.432 1.125 20 0 EDADLP COC(=O)COc1ccc(C[NH+](C)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289490584 444157211 /nfs/dbraw/zinc/15/72/11/444157211.db2.gz JJCXBUQSHNHJLZ-INIZCTEOSA-N 2 2 336.432 1.125 20 0 EDADLP COC(=O)COc1ccc(C[NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289490584 444157213 /nfs/dbraw/zinc/15/72/13/444157213.db2.gz JJCXBUQSHNHJLZ-INIZCTEOSA-N 2 2 336.432 1.125 20 0 EDADLP CN1CC[C@@H]([N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1=O ZINC000289394234 444128914 /nfs/dbraw/zinc/12/89/14/444128914.db2.gz RIQZGUMACHLMIV-LSDHHAIUSA-N 2 2 330.432 1.366 20 0 EDADLP CN1CC[C@@H]([N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1=O ZINC000289394234 444128918 /nfs/dbraw/zinc/12/89/18/444128918.db2.gz RIQZGUMACHLMIV-LSDHHAIUSA-N 2 2 330.432 1.366 20 0 EDADLP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H](C)[NH+]1CCOCC1 ZINC000574783705 321501574 /nfs/dbraw/zinc/50/15/74/321501574.db2.gz PGNNSYVSHRZROB-ZIAGYGMSSA-N 2 2 348.447 1.399 20 0 EDADLP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@H]1COc2ccccc2O1 ZINC000289921655 444219756 /nfs/dbraw/zinc/21/97/56/444219756.db2.gz OOMLHVWDJDVFKZ-IRXDYDNUSA-N 2 2 334.460 1.994 20 0 EDADLP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@H]1COc2ccccc2O1 ZINC000289921655 444219757 /nfs/dbraw/zinc/21/97/57/444219757.db2.gz OOMLHVWDJDVFKZ-IRXDYDNUSA-N 2 2 334.460 1.994 20 0 EDADLP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1COc2ccccc2O1 ZINC000289921655 444219760 /nfs/dbraw/zinc/21/97/60/444219760.db2.gz OOMLHVWDJDVFKZ-IRXDYDNUSA-N 2 2 334.460 1.994 20 0 EDADLP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1COc2ccccc2O1 ZINC000289921655 444219762 /nfs/dbraw/zinc/21/97/62/444219762.db2.gz OOMLHVWDJDVFKZ-IRXDYDNUSA-N 2 2 334.460 1.994 20 0 EDADLP Cc1ccccc1-n1cc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)nn1 ZINC000289636841 444184603 /nfs/dbraw/zinc/18/46/03/444184603.db2.gz GSGKGGRHNCJMPW-OAHLLOKOSA-N 2 2 329.448 1.634 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000301816469 444192033 /nfs/dbraw/zinc/19/20/33/444192033.db2.gz JJWABTCOPDWZRO-ZIAGYGMSSA-N 2 2 330.436 1.882 20 0 EDADLP COC[C@@H](O)C[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301876834 444194971 /nfs/dbraw/zinc/19/49/71/444194971.db2.gz NIQUUQXERHAVFE-ZDUSSCGKSA-N 2 2 333.354 1.984 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)Cn3cc[nH+]c3)CCCC2)no1 ZINC000576323340 321556252 /nfs/dbraw/zinc/55/62/52/321556252.db2.gz DYVYQACTPICKBT-UHFFFAOYSA-N 2 2 346.435 1.694 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302083902 444203494 /nfs/dbraw/zinc/20/34/94/444203494.db2.gz DHMSUWMFZQUISK-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302083902 444203496 /nfs/dbraw/zinc/20/34/96/444203496.db2.gz DHMSUWMFZQUISK-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302083902 444203498 /nfs/dbraw/zinc/20/34/98/444203498.db2.gz DHMSUWMFZQUISK-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302083902 444203501 /nfs/dbraw/zinc/20/35/01/444203501.db2.gz DHMSUWMFZQUISK-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP Cc1nc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c2c([nH+]1)CCCC2 ZINC000302118433 444204505 /nfs/dbraw/zinc/20/45/05/444204505.db2.gz XBINASZUCQUUJX-KRWDZBQOSA-N 2 2 343.475 1.582 20 0 EDADLP Cc1nc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c2c([nH+]1)CCCC2 ZINC000302118433 444204508 /nfs/dbraw/zinc/20/45/08/444204508.db2.gz XBINASZUCQUUJX-KRWDZBQOSA-N 2 2 343.475 1.582 20 0 EDADLP Cc1cc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cn2cc[nH+]c12 ZINC000297088398 444273015 /nfs/dbraw/zinc/27/30/15/444273015.db2.gz VLULHTBNJKPGEO-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP Cc1cc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cn2cc[nH+]c12 ZINC000297088398 444273016 /nfs/dbraw/zinc/27/30/16/444273016.db2.gz VLULHTBNJKPGEO-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302918426 444231857 /nfs/dbraw/zinc/23/18/57/444231857.db2.gz XRONUSTZAJDXOO-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302918426 444231858 /nfs/dbraw/zinc/23/18/58/444231858.db2.gz XRONUSTZAJDXOO-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302918426 444231860 /nfs/dbraw/zinc/23/18/60/444231860.db2.gz XRONUSTZAJDXOO-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302918426 444231863 /nfs/dbraw/zinc/23/18/63/444231863.db2.gz XRONUSTZAJDXOO-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP Cc1occc1C(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000290025469 444232499 /nfs/dbraw/zinc/23/24/99/444232499.db2.gz PRRJHDPSIQWHFH-MRXNPFEDSA-N 2 2 335.448 1.237 20 0 EDADLP Cc1occc1C(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000290025469 444232503 /nfs/dbraw/zinc/23/25/03/444232503.db2.gz PRRJHDPSIQWHFH-MRXNPFEDSA-N 2 2 335.448 1.237 20 0 EDADLP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000303042015 444232557 /nfs/dbraw/zinc/23/25/57/444232557.db2.gz HCTKANJJZQYHAY-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000305684704 444272568 /nfs/dbraw/zinc/27/25/68/444272568.db2.gz PKMWPDGGKHLOFN-HZPDHXFCSA-N 2 2 333.432 1.845 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000305684704 444272570 /nfs/dbraw/zinc/27/25/70/444272570.db2.gz PKMWPDGGKHLOFN-HZPDHXFCSA-N 2 2 333.432 1.845 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000303397153 444237006 /nfs/dbraw/zinc/23/70/06/444237006.db2.gz INANFKSARADLML-SJORKVTESA-N 2 2 338.496 1.148 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087766 444240779 /nfs/dbraw/zinc/24/07/79/444240779.db2.gz VPGKLOLYNZZNSF-ZBFHGGJFSA-N 2 2 329.448 1.364 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087766 444240782 /nfs/dbraw/zinc/24/07/82/444240782.db2.gz VPGKLOLYNZZNSF-ZBFHGGJFSA-N 2 2 329.448 1.364 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087766 444240785 /nfs/dbraw/zinc/24/07/85/444240785.db2.gz VPGKLOLYNZZNSF-ZBFHGGJFSA-N 2 2 329.448 1.364 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1)C1CC1 ZINC000290087766 444240788 /nfs/dbraw/zinc/24/07/88/444240788.db2.gz VPGKLOLYNZZNSF-ZBFHGGJFSA-N 2 2 329.448 1.364 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000304294903 444245644 /nfs/dbraw/zinc/24/56/44/444245644.db2.gz FFTFCCVNCARGRZ-AKHDSKFASA-N 2 2 339.524 1.264 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000304294903 444245646 /nfs/dbraw/zinc/24/56/46/444245646.db2.gz FFTFCCVNCARGRZ-AKHDSKFASA-N 2 2 339.524 1.264 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000577369059 321646293 /nfs/dbraw/zinc/64/62/93/321646293.db2.gz UNKGSVLHPWCNDG-OAHLLOKOSA-N 2 2 334.464 1.559 20 0 EDADLP COc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000577520025 321660314 /nfs/dbraw/zinc/66/03/14/321660314.db2.gz KVJVYEFBVHNBJF-UHFFFAOYSA-N 2 2 349.450 1.820 20 0 EDADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000578497657 321783753 /nfs/dbraw/zinc/78/37/53/321783753.db2.gz RUUPTNCJNBAONW-IAGOWNOFSA-N 3 2 345.491 1.098 20 0 EDADLP Cc1c[nH]c(-c2ccccc2NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[nH+]1 ZINC000578750605 321824037 /nfs/dbraw/zinc/82/40/37/321824037.db2.gz SWJKYLAVQFNFKH-OAHLLOKOSA-N 2 2 341.415 1.582 20 0 EDADLP CCCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000579351127 321923933 /nfs/dbraw/zinc/92/39/33/321923933.db2.gz BQMUAQQLAHIWAE-MRXNPFEDSA-N 2 2 333.480 1.233 20 0 EDADLP CCSCCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000337842945 444433318 /nfs/dbraw/zinc/43/33/18/444433318.db2.gz GZNDOOIEBBEGPR-UHFFFAOYSA-N 2 2 330.542 1.797 20 0 EDADLP CCSCCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000337842945 444433320 /nfs/dbraw/zinc/43/33/20/444433320.db2.gz GZNDOOIEBBEGPR-UHFFFAOYSA-N 2 2 330.542 1.797 20 0 EDADLP C[C@H](CC(=O)NCc1ccnc(OCC[NH+](C)C)c1)n1cc[nH+]c1 ZINC000579718539 321965681 /nfs/dbraw/zinc/96/56/81/321965681.db2.gz JIRPRUXWBSSRFY-CQSZACIVSA-N 2 2 331.420 1.486 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000338032147 444492727 /nfs/dbraw/zinc/49/27/27/444492727.db2.gz YAVXWCKDTMYPOO-UHFFFAOYSA-N 2 2 331.460 1.733 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000338032147 444492730 /nfs/dbraw/zinc/49/27/30/444492730.db2.gz YAVXWCKDTMYPOO-UHFFFAOYSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)c[nH+]2)CCO1 ZINC000580171672 322017372 /nfs/dbraw/zinc/01/73/72/322017372.db2.gz NBKSMVUWOYYINP-IIAWOOMASA-N 2 2 347.463 1.104 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)ccn12 ZINC000580463233 322055423 /nfs/dbraw/zinc/05/54/23/322055423.db2.gz IZOMNBBKGQQMTA-GVDBMIGSSA-N 2 2 342.443 1.966 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)c2[nH+]ccn2C)c1 ZINC000580648969 322078364 /nfs/dbraw/zinc/07/83/64/322078364.db2.gz GZXAAKAROOWLBS-DVOMOZLQSA-N 2 2 344.415 1.380 20 0 EDADLP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000580771427 322093244 /nfs/dbraw/zinc/09/32/44/322093244.db2.gz NJHPQMWNKQRNCJ-HOTGVXAUSA-N 2 2 332.448 1.442 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580822832 322099339 /nfs/dbraw/zinc/09/93/39/322099339.db2.gz LVFYFSQFVGZALN-KRWDZBQOSA-N 2 2 334.464 1.186 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580822832 322099341 /nfs/dbraw/zinc/09/93/41/322099341.db2.gz LVFYFSQFVGZALN-KRWDZBQOSA-N 2 2 334.464 1.186 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ccc3ccccc3n2)C[C@@H](C)O1 ZINC000580828711 322100157 /nfs/dbraw/zinc/10/01/57/322100157.db2.gz IIVDUXZFNNCJBL-MDZRGWNJSA-N 2 2 343.471 1.837 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000580887308 322108022 /nfs/dbraw/zinc/10/80/22/322108022.db2.gz MFJFCONELRPZPJ-WFASDCNBSA-N 2 2 341.452 1.596 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000581002715 322123145 /nfs/dbraw/zinc/12/31/45/322123145.db2.gz KAQNMSWCVZJAKC-VQIMIIECSA-N 2 2 329.444 1.182 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000581002715 322123147 /nfs/dbraw/zinc/12/31/47/322123147.db2.gz KAQNMSWCVZJAKC-VQIMIIECSA-N 2 2 329.444 1.182 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)c3conc3C(C)(C)[NH3+])sc2C1 ZINC000581894608 322230241 /nfs/dbraw/zinc/23/02/41/322230241.db2.gz YPSLVKBQOKPZAL-UHFFFAOYSA-N 2 2 335.433 1.955 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)c3conc3C(C)(C)[NH3+])sc2C1 ZINC000581894608 322230243 /nfs/dbraw/zinc/23/02/43/322230243.db2.gz YPSLVKBQOKPZAL-UHFFFAOYSA-N 2 2 335.433 1.955 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC[N@@H+](C(C)(C)C)CC3)nc[nH+]2)C1 ZINC000581930558 322234123 /nfs/dbraw/zinc/23/41/23/322234123.db2.gz GTLAGVUAFAVQNN-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC[N@H+](C(C)(C)C)CC3)nc[nH+]2)C1 ZINC000581930558 322234125 /nfs/dbraw/zinc/23/41/25/322234125.db2.gz GTLAGVUAFAVQNN-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000338138872 444532864 /nfs/dbraw/zinc/53/28/64/444532864.db2.gz DRYMDTHWSUTTEW-INIZCTEOSA-N 2 2 349.475 1.525 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000343719437 444543688 /nfs/dbraw/zinc/54/36/88/444543688.db2.gz RTOSYDYOKMIRDV-UXIGCNINSA-N 2 2 332.366 1.985 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000343719437 444543690 /nfs/dbraw/zinc/54/36/90/444543690.db2.gz RTOSYDYOKMIRDV-UXIGCNINSA-N 2 2 332.366 1.985 20 0 EDADLP CN(C)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000333013389 444629620 /nfs/dbraw/zinc/62/96/20/444629620.db2.gz BORQYNRXUZHFEQ-UHFFFAOYSA-N 2 2 345.491 1.436 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(Cc3cccs3)CC2)CC1 ZINC000338260084 444594097 /nfs/dbraw/zinc/59/40/97/444594097.db2.gz CTPSAKRVXBIQOQ-UHFFFAOYSA-N 2 2 336.505 1.030 20 0 EDADLP C[NH+]1CCN(C(=O)CCN2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000338260084 444594099 /nfs/dbraw/zinc/59/40/99/444594099.db2.gz CTPSAKRVXBIQOQ-UHFFFAOYSA-N 2 2 336.505 1.030 20 0 EDADLP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000343799267 444599047 /nfs/dbraw/zinc/59/90/47/444599047.db2.gz GFWXOQIFUTXHPB-IEBWSBKVSA-N 2 2 347.503 1.827 20 0 EDADLP C[C@H](C[NH+](C)C)Nc1cc(N[C@@H](C)C[NH+](C)C)c2ccncc2[nH+]1 ZINC000343803435 444601320 /nfs/dbraw/zinc/60/13/20/444601320.db2.gz IBRAPZYKJKBCLK-UONOGXRCSA-N 3 2 330.480 2.354 20 0 EDADLP COc1cncc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000343804696 444602086 /nfs/dbraw/zinc/60/20/86/444602086.db2.gz IOGLZUWXOZHPDI-CVEARBPZSA-N 2 2 347.438 1.868 20 0 EDADLP COc1cncc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000343804696 444602090 /nfs/dbraw/zinc/60/20/90/444602090.db2.gz IOGLZUWXOZHPDI-CVEARBPZSA-N 2 2 347.438 1.868 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000332991393 444623391 /nfs/dbraw/zinc/62/33/91/444623391.db2.gz FHOPJXUULQRVNA-JKSUJKDBSA-N 2 2 347.459 1.359 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000332991393 444623395 /nfs/dbraw/zinc/62/33/95/444623395.db2.gz FHOPJXUULQRVNA-JKSUJKDBSA-N 2 2 347.459 1.359 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000341047009 444651293 /nfs/dbraw/zinc/65/12/93/444651293.db2.gz GSLKFIYHPOBKNF-MRXNPFEDSA-N 2 2 349.479 1.558 20 0 EDADLP c1cc(N[C@H]2CCCOC2)nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC000333131157 444641230 /nfs/dbraw/zinc/64/12/30/444641230.db2.gz IONMNEVOGYDTSP-DLBZAZTESA-N 2 2 345.491 2.522 20 0 EDADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343972641 444703045 /nfs/dbraw/zinc/70/30/45/444703045.db2.gz GNEBULCTHSFHMT-KZNAEPCWSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343972641 444703051 /nfs/dbraw/zinc/70/30/51/444703051.db2.gz GNEBULCTHSFHMT-KZNAEPCWSA-N 2 2 336.524 1.345 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000344019303 444732015 /nfs/dbraw/zinc/73/20/15/444732015.db2.gz QYWPPUPARQAIDB-INIZCTEOSA-N 2 2 346.475 1.549 20 0 EDADLP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2C[NH+](C)C[C@H]2C)c1 ZINC000344050143 444750853 /nfs/dbraw/zinc/75/08/53/444750853.db2.gz BJYYPXWUGLKARR-APWZRJJASA-N 3 2 335.492 1.683 20 0 EDADLP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2C[NH+](C)C[C@H]2C)c1 ZINC000344050143 444750857 /nfs/dbraw/zinc/75/08/57/444750857.db2.gz BJYYPXWUGLKARR-APWZRJJASA-N 3 2 335.492 1.683 20 0 EDADLP COCC[NH+](C)CCOc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000344050143 444750861 /nfs/dbraw/zinc/75/08/61/444750861.db2.gz BJYYPXWUGLKARR-APWZRJJASA-N 3 2 335.492 1.683 20 0 EDADLP COCC[NH+](C)CCOc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000344050143 444750864 /nfs/dbraw/zinc/75/08/64/444750864.db2.gz BJYYPXWUGLKARR-APWZRJJASA-N 3 2 335.492 1.683 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000334027172 444751940 /nfs/dbraw/zinc/75/19/40/444751940.db2.gz HXZIGGQGFZSQDN-UONOGXRCSA-N 2 2 333.480 1.889 20 0 EDADLP COc1ccc2nc(C[N@H+](C)CCCN(C)CC[NH+](C)C)[nH]c2n1 ZINC000344078799 444769477 /nfs/dbraw/zinc/76/94/77/444769477.db2.gz XOLCPPAKAFEVMA-UHFFFAOYSA-N 2 2 334.468 1.282 20 0 EDADLP COc1ccc2nc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)[nH]c2n1 ZINC000344078799 444769479 /nfs/dbraw/zinc/76/94/79/444769479.db2.gz XOLCPPAKAFEVMA-UHFFFAOYSA-N 2 2 334.468 1.282 20 0 EDADLP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000344094999 444778959 /nfs/dbraw/zinc/77/89/59/444778959.db2.gz HAVNYCHITQSJPT-ARFHVFGLSA-N 2 2 325.497 1.900 20 0 EDADLP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000344094999 444778961 /nfs/dbraw/zinc/77/89/61/444778961.db2.gz HAVNYCHITQSJPT-ARFHVFGLSA-N 2 2 325.497 1.900 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC[C@H]21 ZINC000336869348 444813231 /nfs/dbraw/zinc/81/32/31/444813231.db2.gz BDZTZZIJJAELKM-MCIONIFRSA-N 2 2 333.398 1.956 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC[C@H]21 ZINC000336869348 444813235 /nfs/dbraw/zinc/81/32/35/444813235.db2.gz BDZTZZIJJAELKM-MCIONIFRSA-N 2 2 333.398 1.956 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC[C@H]21 ZINC000336869348 444813237 /nfs/dbraw/zinc/81/32/37/444813237.db2.gz BDZTZZIJJAELKM-MCIONIFRSA-N 2 2 333.398 1.956 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCN(CC(F)(F)F)C3=O)CC[C@H]21 ZINC000336869348 444813241 /nfs/dbraw/zinc/81/32/41/444813241.db2.gz BDZTZZIJJAELKM-MCIONIFRSA-N 2 2 333.398 1.956 20 0 EDADLP Cc1nc(NC2CC[NH+](Cc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000330051141 444825079 /nfs/dbraw/zinc/82/50/79/444825079.db2.gz NAEGFYBCZWGNPR-UHFFFAOYSA-N 2 2 326.448 2.323 20 0 EDADLP Cc1nc(N(C)C)nc(NC2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000330051141 444825083 /nfs/dbraw/zinc/82/50/83/444825083.db2.gz NAEGFYBCZWGNPR-UHFFFAOYSA-N 2 2 326.448 2.323 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000342764502 444855097 /nfs/dbraw/zinc/85/50/97/444855097.db2.gz IMOYRVDXOYBTAH-XJKSGUPXSA-N 2 2 337.414 1.794 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[N@H+]1CCc2ccccc2C1 ZINC000342764502 444855100 /nfs/dbraw/zinc/85/51/00/444855100.db2.gz IMOYRVDXOYBTAH-XJKSGUPXSA-N 2 2 337.414 1.794 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000341494892 444859813 /nfs/dbraw/zinc/85/98/13/444859813.db2.gz JMCMAVIVBVRVNM-GQGLESIBSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000341494892 444859814 /nfs/dbraw/zinc/85/98/14/444859814.db2.gz JMCMAVIVBVRVNM-GQGLESIBSA-N 2 2 338.496 1.221 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C2)C1 ZINC000330200878 444885964 /nfs/dbraw/zinc/88/59/64/444885964.db2.gz XBQAGNKTYIOAPB-YJBOKZPZSA-N 2 2 331.464 1.217 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C2)C1 ZINC000330200878 444885966 /nfs/dbraw/zinc/88/59/66/444885966.db2.gz XBQAGNKTYIOAPB-YJBOKZPZSA-N 2 2 331.464 1.217 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)C2)C1 ZINC000330200878 444885970 /nfs/dbraw/zinc/88/59/70/444885970.db2.gz XBQAGNKTYIOAPB-YJBOKZPZSA-N 2 2 331.464 1.217 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)C2)C1 ZINC000330200878 444885975 /nfs/dbraw/zinc/88/59/75/444885975.db2.gz XBQAGNKTYIOAPB-YJBOKZPZSA-N 2 2 331.464 1.217 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000341551974 444889581 /nfs/dbraw/zinc/88/95/81/444889581.db2.gz CTMRMEFRLRBZIY-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1nccn1C ZINC000341703077 444958581 /nfs/dbraw/zinc/95/85/81/444958581.db2.gz BQXYPDOANYDQCN-JQHSSLGASA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1nccn1C ZINC000341703077 444958586 /nfs/dbraw/zinc/95/85/86/444958586.db2.gz BQXYPDOANYDQCN-JQHSSLGASA-N 2 2 328.460 1.954 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCn3cc[nH+]c3C2)cc1F ZINC000342958396 444967785 /nfs/dbraw/zinc/96/77/85/444967785.db2.gz XYJAHLYXMIHNLH-UHFFFAOYSA-N 2 2 331.395 1.809 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000330311146 444932588 /nfs/dbraw/zinc/93/25/88/444932588.db2.gz VNVYTIJKLRDWJD-UHFFFAOYSA-N 2 2 330.436 1.389 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H]4C(=O)NC[C@H]43)c2cc1C ZINC000337247085 445002765 /nfs/dbraw/zinc/00/27/65/445002765.db2.gz JWLQFJVIPHVHRV-RVKKMQEKSA-N 2 2 342.443 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H]4C(=O)NC[C@H]43)c2cc1C ZINC000337247085 445002770 /nfs/dbraw/zinc/00/27/70/445002770.db2.gz JWLQFJVIPHVHRV-RVKKMQEKSA-N 2 2 342.443 1.224 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NCc1cc(F)cc(F)c1 ZINC000337270017 445009700 /nfs/dbraw/zinc/00/97/00/445009700.db2.gz MJTCULQHVRWBDG-UHFFFAOYSA-N 2 2 325.403 1.999 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NCc1cc(F)cc(F)c1 ZINC000337270017 445009704 /nfs/dbraw/zinc/00/97/04/445009704.db2.gz MJTCULQHVRWBDG-UHFFFAOYSA-N 2 2 325.403 1.999 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000337278219 445013467 /nfs/dbraw/zinc/01/34/67/445013467.db2.gz SLQLDVOJNPAWOO-MRXNPFEDSA-N 2 2 347.459 1.360 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000337278219 445013470 /nfs/dbraw/zinc/01/34/70/445013470.db2.gz SLQLDVOJNPAWOO-MRXNPFEDSA-N 2 2 347.459 1.360 20 0 EDADLP CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337284198 445015537 /nfs/dbraw/zinc/01/55/37/445015537.db2.gz KVZDXQNNIZFDAH-RDJZCZTQSA-N 2 2 348.472 1.680 20 0 EDADLP c1cn2c([nH+]1)CN(C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000341883976 445051602 /nfs/dbraw/zinc/05/16/02/445051602.db2.gz CAHDWYDWZFEHJQ-SFHVURJKSA-N 2 2 326.444 1.990 20 0 EDADLP c1cn2c([nH+]1)CN(C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000341883976 445051607 /nfs/dbraw/zinc/05/16/07/445051607.db2.gz CAHDWYDWZFEHJQ-SFHVURJKSA-N 2 2 326.444 1.990 20 0 EDADLP O[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H]12 ZINC000341916381 445071131 /nfs/dbraw/zinc/07/11/31/445071131.db2.gz WHKZNBKAVZOTMW-IYWMVGAKSA-N 2 2 330.472 1.980 20 0 EDADLP O[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H]12 ZINC000341916381 445071135 /nfs/dbraw/zinc/07/11/35/445071135.db2.gz WHKZNBKAVZOTMW-IYWMVGAKSA-N 2 2 330.472 1.980 20 0 EDADLP O[C@@H]1CC[C@@H]2C[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@@H]12 ZINC000341916381 445071141 /nfs/dbraw/zinc/07/11/41/445071141.db2.gz WHKZNBKAVZOTMW-IYWMVGAKSA-N 2 2 330.472 1.980 20 0 EDADLP O[C@@H]1CC[C@@H]2C[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@@H]12 ZINC000341916381 445071144 /nfs/dbraw/zinc/07/11/44/445071144.db2.gz WHKZNBKAVZOTMW-IYWMVGAKSA-N 2 2 330.472 1.980 20 0 EDADLP NC(=O)c1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cn1 ZINC000337607430 445163721 /nfs/dbraw/zinc/16/37/21/445163721.db2.gz NJRLHMLCQZWXSO-UHFFFAOYSA-N 2 2 346.354 1.317 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000343269889 445171219 /nfs/dbraw/zinc/17/12/19/445171219.db2.gz CSYMDEGZLHFPLT-HOJAQTOUSA-N 3 2 330.520 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000343269889 445171221 /nfs/dbraw/zinc/17/12/21/445171221.db2.gz CSYMDEGZLHFPLT-HOJAQTOUSA-N 3 2 330.520 1.905 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000343269889 445171222 /nfs/dbraw/zinc/17/12/22/445171222.db2.gz CSYMDEGZLHFPLT-HOJAQTOUSA-N 3 2 330.520 1.905 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000343269889 445171225 /nfs/dbraw/zinc/17/12/25/445171225.db2.gz CSYMDEGZLHFPLT-HOJAQTOUSA-N 3 2 330.520 1.905 20 0 EDADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342118070 445182050 /nfs/dbraw/zinc/18/20/50/445182050.db2.gz CHFJDQBWFARVHK-NXMWLWCLSA-N 2 2 342.483 1.979 20 0 EDADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342118070 445182054 /nfs/dbraw/zinc/18/20/54/445182054.db2.gz CHFJDQBWFARVHK-NXMWLWCLSA-N 2 2 342.483 1.979 20 0 EDADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[NH+]2C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342118070 445182057 /nfs/dbraw/zinc/18/20/57/445182057.db2.gz CHFJDQBWFARVHK-NXMWLWCLSA-N 2 2 342.483 1.979 20 0 EDADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[NH+]2C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342118070 445182061 /nfs/dbraw/zinc/18/20/61/445182061.db2.gz CHFJDQBWFARVHK-NXMWLWCLSA-N 2 2 342.483 1.979 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000337644487 445185216 /nfs/dbraw/zinc/18/52/16/445185216.db2.gz XATGQVZERXFEFD-JYJNAYRXSA-N 2 2 331.464 1.995 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000337644487 445185220 /nfs/dbraw/zinc/18/52/20/445185220.db2.gz XATGQVZERXFEFD-JYJNAYRXSA-N 2 2 331.464 1.995 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000343242601 445157407 /nfs/dbraw/zinc/15/74/07/445157407.db2.gz MAFYMGMYQKEWGA-ZIFCJYIRSA-N 2 2 348.491 1.542 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000343242601 445157408 /nfs/dbraw/zinc/15/74/08/445157408.db2.gz MAFYMGMYQKEWGA-ZIFCJYIRSA-N 2 2 348.491 1.542 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000343370376 445211687 /nfs/dbraw/zinc/21/16/87/445211687.db2.gz RQPBGIBCXRLMBF-MRXNPFEDSA-N 2 2 340.427 1.774 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000343370376 445211688 /nfs/dbraw/zinc/21/16/88/445211688.db2.gz RQPBGIBCXRLMBF-MRXNPFEDSA-N 2 2 340.427 1.774 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)[N@H+](C)C1 ZINC000343326276 445199857 /nfs/dbraw/zinc/19/98/57/445199857.db2.gz WNAWCCNOMCQOJE-IRXDYDNUSA-N 2 2 328.416 1.267 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)[N@@H+](C)C1 ZINC000343326276 445199859 /nfs/dbraw/zinc/19/98/59/445199859.db2.gz WNAWCCNOMCQOJE-IRXDYDNUSA-N 2 2 328.416 1.267 20 0 EDADLP CC(C)N1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346910799 445227647 /nfs/dbraw/zinc/22/76/47/445227647.db2.gz CWIOHASPKZSCKR-SZMVWBNQSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346910799 445227649 /nfs/dbraw/zinc/22/76/49/445227649.db2.gz CWIOHASPKZSCKR-SZMVWBNQSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346910799 445227650 /nfs/dbraw/zinc/22/76/50/445227650.db2.gz CWIOHASPKZSCKR-SZMVWBNQSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346910799 445227652 /nfs/dbraw/zinc/22/76/52/445227652.db2.gz CWIOHASPKZSCKR-SZMVWBNQSA-N 2 2 347.507 1.744 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000343624565 445267954 /nfs/dbraw/zinc/26/79/54/445267954.db2.gz QEPQOTLKBJNIHU-UHFFFAOYSA-N 3 2 332.496 1.146 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000343624565 445267959 /nfs/dbraw/zinc/26/79/59/445267959.db2.gz QEPQOTLKBJNIHU-UHFFFAOYSA-N 3 2 332.496 1.146 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000343601931 445259027 /nfs/dbraw/zinc/25/90/27/445259027.db2.gz ZKJDSABRLMFFSB-AWEZNQCLSA-N 2 2 343.537 1.429 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348333392 445260255 /nfs/dbraw/zinc/26/02/55/445260255.db2.gz YOZIFGVIPYITPX-RLLQIKCJSA-N 2 2 329.488 1.771 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348333392 445260261 /nfs/dbraw/zinc/26/02/61/445260261.db2.gz YOZIFGVIPYITPX-RLLQIKCJSA-N 2 2 329.488 1.771 20 0 EDADLP COc1cc[nH+]c(CN2C[C@H](OC)C[C@@H]2C[NH+]2CCCC2)c1OC ZINC000348020509 445261541 /nfs/dbraw/zinc/26/15/41/445261541.db2.gz CPALXGCIBYKWNH-HUUCEWRRSA-N 2 2 335.448 1.784 20 0 EDADLP CC(C)OC[C@H](O)C[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348092874 445265944 /nfs/dbraw/zinc/26/59/44/445265944.db2.gz YKNHPJBKKMQAOG-ARFHVFGLSA-N 2 2 342.459 1.050 20 0 EDADLP CC(C)OC[C@H](O)C[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348092874 445265947 /nfs/dbraw/zinc/26/59/47/445265947.db2.gz YKNHPJBKKMQAOG-ARFHVFGLSA-N 2 2 342.459 1.050 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000343642576 445277688 /nfs/dbraw/zinc/27/76/88/445277688.db2.gz LNFVOWWESZQEGH-UHFFFAOYSA-N 2 2 345.443 1.213 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000348406042 445279378 /nfs/dbraw/zinc/27/93/78/445279378.db2.gz OFLSUAPAIWAELJ-APWZRJJASA-N 2 2 346.475 1.356 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@](C)(O)CC1 ZINC000348406042 445279381 /nfs/dbraw/zinc/27/93/81/445279381.db2.gz OFLSUAPAIWAELJ-APWZRJJASA-N 2 2 346.475 1.356 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000343656899 445286613 /nfs/dbraw/zinc/28/66/13/445286613.db2.gz JQRXBNRMDULIRV-UHFFFAOYSA-N 2 2 349.523 1.931 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000343656899 445286614 /nfs/dbraw/zinc/28/66/14/445286614.db2.gz JQRXBNRMDULIRV-UHFFFAOYSA-N 2 2 349.523 1.931 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716431 445289086 /nfs/dbraw/zinc/28/90/86/445289086.db2.gz MMXJTMBSUPNKLM-ZWKOTPCHSA-N 2 2 338.879 1.774 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716431 445289089 /nfs/dbraw/zinc/28/90/89/445289089.db2.gz MMXJTMBSUPNKLM-ZWKOTPCHSA-N 2 2 338.879 1.774 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716431 445289091 /nfs/dbraw/zinc/28/90/91/445289091.db2.gz MMXJTMBSUPNKLM-ZWKOTPCHSA-N 2 2 338.879 1.774 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716431 445289093 /nfs/dbraw/zinc/28/90/93/445289093.db2.gz MMXJTMBSUPNKLM-ZWKOTPCHSA-N 2 2 338.879 1.774 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000343676505 445297020 /nfs/dbraw/zinc/29/70/20/445297020.db2.gz RDASEQZWMWZJDD-XGXHKWSGSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000343676505 445297025 /nfs/dbraw/zinc/29/70/25/445297025.db2.gz RDASEQZWMWZJDD-XGXHKWSGSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000343676505 445297027 /nfs/dbraw/zinc/29/70/27/445297027.db2.gz RDASEQZWMWZJDD-XGXHKWSGSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000343676505 445297032 /nfs/dbraw/zinc/29/70/32/445297032.db2.gz RDASEQZWMWZJDD-XGXHKWSGSA-N 2 2 343.471 1.296 20 0 EDADLP CCn1c2nnc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)n2c2ccccc2c1=O ZINC000351861014 445346198 /nfs/dbraw/zinc/34/61/98/445346198.db2.gz KOPNTGVKAJELEN-CHWSQXEVSA-N 2 2 340.431 1.233 20 0 EDADLP CCn1c2nnc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)n2c2ccccc2c1=O ZINC000351861014 445346199 /nfs/dbraw/zinc/34/61/99/445346199.db2.gz KOPNTGVKAJELEN-CHWSQXEVSA-N 2 2 340.431 1.233 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000351887492 445356336 /nfs/dbraw/zinc/35/63/36/445356336.db2.gz GFQYQMLELPERLZ-VQTJNVASSA-N 2 2 344.503 1.214 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000351887492 445356339 /nfs/dbraw/zinc/35/63/39/445356339.db2.gz GFQYQMLELPERLZ-VQTJNVASSA-N 2 2 344.503 1.214 20 0 EDADLP CN1CCO[C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000351887492 445356343 /nfs/dbraw/zinc/35/63/43/445356343.db2.gz GFQYQMLELPERLZ-VQTJNVASSA-N 2 2 344.503 1.214 20 0 EDADLP CN1CCO[C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000351887492 445356347 /nfs/dbraw/zinc/35/63/47/445356347.db2.gz GFQYQMLELPERLZ-VQTJNVASSA-N 2 2 344.503 1.214 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOC[C@@H]3CC3CCC3)cn2)CC1 ZINC000354737663 445358299 /nfs/dbraw/zinc/35/82/99/445358299.db2.gz VKHXRZNBJUUMRP-SFHVURJKSA-N 2 2 345.491 1.619 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCOC[C@@H]3CC3CCC3)cn2)CC1 ZINC000354737663 445358305 /nfs/dbraw/zinc/35/83/05/445358305.db2.gz VKHXRZNBJUUMRP-SFHVURJKSA-N 2 2 345.491 1.619 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1OC ZINC000357088633 445420327 /nfs/dbraw/zinc/42/03/27/445420327.db2.gz OJRJBKYGDDXYBM-GOEBONIOSA-N 2 2 347.459 1.204 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1OC ZINC000357088633 445420331 /nfs/dbraw/zinc/42/03/31/445420331.db2.gz OJRJBKYGDDXYBM-GOEBONIOSA-N 2 2 347.459 1.204 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](COC(F)F)C3)cn2)CC1 ZINC000348869859 445423838 /nfs/dbraw/zinc/42/38/38/445423838.db2.gz PTMQZAQZIVTAIF-ZDUSSCGKSA-N 2 2 341.406 1.290 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](COC(F)F)C3)cn2)CC1 ZINC000348869859 445423843 /nfs/dbraw/zinc/42/38/43/445423843.db2.gz PTMQZAQZIVTAIF-ZDUSSCGKSA-N 2 2 341.406 1.290 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000362441214 445383376 /nfs/dbraw/zinc/38/33/76/445383376.db2.gz HJZQWBODJBBBTH-SFHVURJKSA-N 2 2 331.460 1.272 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000362441214 445383379 /nfs/dbraw/zinc/38/33/79/445383379.db2.gz HJZQWBODJBBBTH-SFHVURJKSA-N 2 2 331.460 1.272 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000362441214 445383382 /nfs/dbraw/zinc/38/33/82/445383382.db2.gz HJZQWBODJBBBTH-SFHVURJKSA-N 2 2 331.460 1.272 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000362441214 445383384 /nfs/dbraw/zinc/38/33/84/445383384.db2.gz HJZQWBODJBBBTH-SFHVURJKSA-N 2 2 331.460 1.272 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357041958 445390300 /nfs/dbraw/zinc/39/03/00/445390300.db2.gz DTCBERIVLVIJBO-HZPDHXFCSA-N 2 2 334.464 1.493 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357041958 445390305 /nfs/dbraw/zinc/39/03/05/445390305.db2.gz DTCBERIVLVIJBO-HZPDHXFCSA-N 2 2 334.464 1.493 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362553947 445436033 /nfs/dbraw/zinc/43/60/33/445436033.db2.gz QXHCMAWPTLPPLP-KBPBESRZSA-N 2 2 342.447 1.723 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000354983157 445437918 /nfs/dbraw/zinc/43/79/18/445437918.db2.gz RXWLGZPNSIWLHM-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000354983157 445437922 /nfs/dbraw/zinc/43/79/22/445437922.db2.gz RXWLGZPNSIWLHM-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000354983157 445437926 /nfs/dbraw/zinc/43/79/26/445437926.db2.gz RXWLGZPNSIWLHM-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000354983157 445437928 /nfs/dbraw/zinc/43/79/28/445437928.db2.gz RXWLGZPNSIWLHM-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(c3ccnn3C)C2=O)c[nH+]1 ZINC000355139954 445446104 /nfs/dbraw/zinc/44/61/04/445446104.db2.gz WVWVTHVLCGHOJK-MRXNPFEDSA-N 2 2 327.432 1.841 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000357140048 445450510 /nfs/dbraw/zinc/45/05/10/445450510.db2.gz JUURPIAJJQSCFH-ROUUACIJSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000357140048 445450512 /nfs/dbraw/zinc/45/05/12/445450512.db2.gz JUURPIAJJQSCFH-ROUUACIJSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000357140048 445450514 /nfs/dbraw/zinc/45/05/14/445450514.db2.gz JUURPIAJJQSCFH-ROUUACIJSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000357140048 445450516 /nfs/dbraw/zinc/45/05/16/445450516.db2.gz JUURPIAJJQSCFH-ROUUACIJSA-N 2 2 335.492 1.620 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000362661528 445484469 /nfs/dbraw/zinc/48/44/69/445484469.db2.gz DZZUHYZCPBMFNU-DFGXFYAUSA-N 2 2 345.491 2.090 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000362661528 445484471 /nfs/dbraw/zinc/48/44/71/445484471.db2.gz DZZUHYZCPBMFNU-DFGXFYAUSA-N 2 2 345.491 2.090 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000362759577 445536242 /nfs/dbraw/zinc/53/62/42/445536242.db2.gz MLSJSBFNNNXGNZ-MRXNPFEDSA-N 2 2 349.479 1.037 20 0 EDADLP CC[N@H+]1CCCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000362759577 445536245 /nfs/dbraw/zinc/53/62/45/445536245.db2.gz MLSJSBFNNNXGNZ-MRXNPFEDSA-N 2 2 349.479 1.037 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000362759577 445536247 /nfs/dbraw/zinc/53/62/47/445536247.db2.gz MLSJSBFNNNXGNZ-MRXNPFEDSA-N 2 2 349.479 1.037 20 0 EDADLP CC[N@H+]1CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000362759577 445536249 /nfs/dbraw/zinc/53/62/49/445536249.db2.gz MLSJSBFNNNXGNZ-MRXNPFEDSA-N 2 2 349.479 1.037 20 0 EDADLP CCOC(=O)c1coc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000349064572 445493292 /nfs/dbraw/zinc/49/32/92/445493292.db2.gz VMGXAHIFGBHCIT-UHFFFAOYSA-N 2 2 337.464 1.914 20 0 EDADLP CCOC(=O)c1coc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000349064572 445493294 /nfs/dbraw/zinc/49/32/94/445493294.db2.gz VMGXAHIFGBHCIT-UHFFFAOYSA-N 2 2 337.464 1.914 20 0 EDADLP CCOC(=O)c1coc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000349064572 445493296 /nfs/dbraw/zinc/49/32/96/445493296.db2.gz VMGXAHIFGBHCIT-UHFFFAOYSA-N 2 2 337.464 1.914 20 0 EDADLP CCOC(=O)c1coc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000349064572 445493299 /nfs/dbraw/zinc/49/32/99/445493299.db2.gz VMGXAHIFGBHCIT-UHFFFAOYSA-N 2 2 337.464 1.914 20 0 EDADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362689910 445502197 /nfs/dbraw/zinc/50/21/97/445502197.db2.gz DNHXPPUYUXTSTG-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362689910 445502198 /nfs/dbraw/zinc/50/21/98/445502198.db2.gz DNHXPPUYUXTSTG-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP C[C@H]1[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCOC1(C)C ZINC000357328700 445550825 /nfs/dbraw/zinc/55/08/25/445550825.db2.gz NUGPIKMLPXMSSF-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H]1[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCOC1(C)C ZINC000357328700 445550829 /nfs/dbraw/zinc/55/08/29/445550829.db2.gz NUGPIKMLPXMSSF-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000362828371 445568590 /nfs/dbraw/zinc/56/85/90/445568590.db2.gz WCVBDZXVRBTOMN-CQSZACIVSA-N 2 2 337.851 1.615 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000362828371 445568593 /nfs/dbraw/zinc/56/85/93/445568593.db2.gz WCVBDZXVRBTOMN-CQSZACIVSA-N 2 2 337.851 1.615 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000360123155 445579435 /nfs/dbraw/zinc/57/94/35/445579435.db2.gz GJRLIHWVHCNCQF-YCPHGPKFSA-N 2 2 337.468 1.668 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000360123155 445579438 /nfs/dbraw/zinc/57/94/38/445579438.db2.gz GJRLIHWVHCNCQF-YCPHGPKFSA-N 2 2 337.468 1.668 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000356036312 445582494 /nfs/dbraw/zinc/58/24/94/445582494.db2.gz DOBRIZUFLXGPSJ-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000356036312 445582500 /nfs/dbraw/zinc/58/25/00/445582500.db2.gz DOBRIZUFLXGPSJ-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360039804 445541032 /nfs/dbraw/zinc/54/10/32/445541032.db2.gz ANWMXIGEEPKPTJ-UHFFFAOYSA-N 2 2 342.443 1.991 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCOCC[NH+](C)C)sc2C1 ZINC000349250827 445547121 /nfs/dbraw/zinc/54/71/21/445547121.db2.gz HLONGYMMDNXPCY-UHFFFAOYSA-N 3 2 326.510 1.577 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CCOCC[NH+](C)C)sc2C1 ZINC000349250827 445547125 /nfs/dbraw/zinc/54/71/25/445547125.db2.gz HLONGYMMDNXPCY-UHFFFAOYSA-N 3 2 326.510 1.577 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000353523034 445641087 /nfs/dbraw/zinc/64/10/87/445641087.db2.gz QBSCIZIHAYKLNB-DOMZBBRYSA-N 2 2 325.840 1.519 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000360166596 445606678 /nfs/dbraw/zinc/60/66/78/445606678.db2.gz YTLJUYWROXZADY-UHFFFAOYSA-N 2 2 349.479 1.026 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000360166596 445606684 /nfs/dbraw/zinc/60/66/84/445606684.db2.gz YTLJUYWROXZADY-UHFFFAOYSA-N 2 2 349.479 1.026 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625555277 450425673 /nfs/dbraw/zinc/42/56/73/450425673.db2.gz SROUOBMUIMRUQM-LJQANCHMSA-N 2 2 348.487 1.840 20 0 EDADLP NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000360186759 445618485 /nfs/dbraw/zinc/61/84/85/445618485.db2.gz HOPRVCJYMZVDFU-SFHVURJKSA-N 2 2 349.450 1.786 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000358509366 445623660 /nfs/dbraw/zinc/62/36/60/445623660.db2.gz VWKUZWWDMPFMIF-CGQZWFTASA-N 2 2 330.476 1.977 20 0 EDADLP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000349631977 445628104 /nfs/dbraw/zinc/62/81/04/445628104.db2.gz POMVUPMIQMCQER-IRXDYDNUSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000349631977 445628106 /nfs/dbraw/zinc/62/81/06/445628106.db2.gz POMVUPMIQMCQER-IRXDYDNUSA-N 2 2 333.476 1.734 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000349672535 445642423 /nfs/dbraw/zinc/64/24/23/445642423.db2.gz WEXRLVPWFPHDKS-HNNXBMFYSA-N 2 2 335.452 1.058 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000349672535 445642427 /nfs/dbraw/zinc/64/24/27/445642427.db2.gz WEXRLVPWFPHDKS-HNNXBMFYSA-N 2 2 335.452 1.058 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)C[NH+]1CCCCC1 ZINC000356186991 445667337 /nfs/dbraw/zinc/66/73/37/445667337.db2.gz RKXITLAGXQASDR-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)C[NH+]1CCCCC1 ZINC000356186991 445667343 /nfs/dbraw/zinc/66/73/43/445667343.db2.gz RKXITLAGXQASDR-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000356220611 445682803 /nfs/dbraw/zinc/68/28/03/445682803.db2.gz JAKGFVWZRQYYIR-HIFRSBDPSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000356220611 445682806 /nfs/dbraw/zinc/68/28/06/445682806.db2.gz JAKGFVWZRQYYIR-HIFRSBDPSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000356221907 445684122 /nfs/dbraw/zinc/68/41/22/445684122.db2.gz ISXZIVFDNNEDCS-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000356221907 445684126 /nfs/dbraw/zinc/68/41/26/445684126.db2.gz ISXZIVFDNNEDCS-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000356227074 445686435 /nfs/dbraw/zinc/68/64/35/445686435.db2.gz PKKJXEVTVYBANU-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000356227074 445686439 /nfs/dbraw/zinc/68/64/39/445686439.db2.gz PKKJXEVTVYBANU-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCOCC1 ZINC000356396391 445770837 /nfs/dbraw/zinc/77/08/37/445770837.db2.gz UNBUTAFBZILSNU-SQNIBIBYSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCOCC1 ZINC000356396391 445770839 /nfs/dbraw/zinc/77/08/39/445770839.db2.gz UNBUTAFBZILSNU-SQNIBIBYSA-N 2 2 337.508 1.820 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000363250547 445739904 /nfs/dbraw/zinc/73/99/04/445739904.db2.gz PIEMHPBNJIBSBC-KRWDZBQOSA-N 2 2 339.443 1.823 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000363250547 445739907 /nfs/dbraw/zinc/73/99/07/445739907.db2.gz PIEMHPBNJIBSBC-KRWDZBQOSA-N 2 2 339.443 1.823 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000353760367 445742550 /nfs/dbraw/zinc/74/25/50/445742550.db2.gz PTSXNALCGNPDHK-OAHLLOKOSA-N 2 2 344.459 1.962 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000363297745 445755975 /nfs/dbraw/zinc/75/59/75/445755975.db2.gz XWYIGQPOAJRTLF-KRWDZBQOSA-N 2 2 336.524 1.537 20 0 EDADLP CN(Cc1ncc(Cl)n1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363479659 445821459 /nfs/dbraw/zinc/82/14/59/445821459.db2.gz JARNDMPRLXIJOE-AWEZNQCLSA-N 2 2 325.888 1.674 20 0 EDADLP CN(Cc1ncc(Cl)n1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363479659 445821463 /nfs/dbraw/zinc/82/14/63/445821463.db2.gz JARNDMPRLXIJOE-AWEZNQCLSA-N 2 2 325.888 1.674 20 0 EDADLP CC(C)N1CCC[C@H]([N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000363479193 445821845 /nfs/dbraw/zinc/82/18/45/445821845.db2.gz QOVVUXLXSQIORE-SFHVURJKSA-N 2 2 337.508 1.961 20 0 EDADLP CC(C)N1CCC[C@H]([N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000363479193 445821847 /nfs/dbraw/zinc/82/18/47/445821847.db2.gz QOVVUXLXSQIORE-SFHVURJKSA-N 2 2 337.508 1.961 20 0 EDADLP COc1cccc2c1CC[C@@H]2[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000361483030 445782748 /nfs/dbraw/zinc/78/27/48/445782748.db2.gz ZYZQHCVDJXSZFW-IBGZPJMESA-N 2 2 347.503 1.662 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358850552 445809617 /nfs/dbraw/zinc/80/96/17/445809617.db2.gz BSJGXUHGPNWZEQ-IYBDPMFKSA-N 2 2 341.496 1.103 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358850552 445809624 /nfs/dbraw/zinc/80/96/24/445809624.db2.gz BSJGXUHGPNWZEQ-IYBDPMFKSA-N 2 2 341.496 1.103 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000361541333 445810902 /nfs/dbraw/zinc/81/09/02/445810902.db2.gz OGXGEGVPKQVBQU-ZDUSSCGKSA-N 2 2 346.258 1.390 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cn[nH]c1 ZINC000363821329 445877287 /nfs/dbraw/zinc/87/72/87/445877287.db2.gz NCASNJGQPJWSIA-CZUORRHYSA-N 2 2 334.468 1.281 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cn[nH]c1 ZINC000363821329 445877290 /nfs/dbraw/zinc/87/72/90/445877290.db2.gz NCASNJGQPJWSIA-CZUORRHYSA-N 2 2 334.468 1.281 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363540468 445850529 /nfs/dbraw/zinc/85/05/29/445850529.db2.gz WWZBQGVWFMBAKH-MOPGFXCFSA-N 2 2 344.503 1.528 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363540468 445850532 /nfs/dbraw/zinc/85/05/32/445850532.db2.gz WWZBQGVWFMBAKH-MOPGFXCFSA-N 2 2 344.503 1.528 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c[nH]1 ZINC000354017442 445856800 /nfs/dbraw/zinc/85/68/00/445856800.db2.gz JXABLOHVLHLKLT-WMLDXEAASA-N 2 2 334.464 1.259 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c[nH]1 ZINC000354017442 445856806 /nfs/dbraw/zinc/85/68/06/445856806.db2.gz JXABLOHVLHLKLT-WMLDXEAASA-N 2 2 334.464 1.259 20 0 EDADLP C[N@@H+]1CC[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)[C@@H]1c1ccccc1 ZINC000365974501 445936473 /nfs/dbraw/zinc/93/64/73/445936473.db2.gz HRHDCNJNAOLXGV-WMZOPIPTSA-N 2 2 339.443 2.171 20 0 EDADLP C[N@H+]1CC[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)[C@@H]1c1ccccc1 ZINC000365974501 445936477 /nfs/dbraw/zinc/93/64/77/445936477.db2.gz HRHDCNJNAOLXGV-WMZOPIPTSA-N 2 2 339.443 2.171 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000364188816 445899936 /nfs/dbraw/zinc/89/99/36/445899936.db2.gz NCGASCGBLMDMLI-ZIFCJYIRSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H](C)[N@@H+]1CCO ZINC000364188816 445899941 /nfs/dbraw/zinc/89/99/41/445899941.db2.gz NCGASCGBLMDMLI-ZIFCJYIRSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H](C)[NH+]1CCO ZINC000364188816 445899945 /nfs/dbraw/zinc/89/99/45/445899945.db2.gz NCGASCGBLMDMLI-ZIFCJYIRSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H](C)[NH+]1CCO ZINC000364188816 445899949 /nfs/dbraw/zinc/89/99/49/445899949.db2.gz NCGASCGBLMDMLI-ZIFCJYIRSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000354145200 445942449 /nfs/dbraw/zinc/94/24/49/445942449.db2.gz ZIHWUQYMZYCLTH-ZDUSSCGKSA-N 2 2 331.420 1.581 20 0 EDADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000354145200 445942452 /nfs/dbraw/zinc/94/24/52/445942452.db2.gz ZIHWUQYMZYCLTH-ZDUSSCGKSA-N 2 2 331.420 1.581 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000350782724 445904737 /nfs/dbraw/zinc/90/47/37/445904737.db2.gz KZOMGESITDETDF-WBVHZDCISA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000350782724 445904744 /nfs/dbraw/zinc/90/47/44/445904744.db2.gz KZOMGESITDETDF-WBVHZDCISA-N 2 2 340.512 1.469 20 0 EDADLP [NH3+]C1(C[NH2+]Cc2cc(=O)n3cc(Br)ccc3n2)CCC1 ZINC000582301932 325816612 /nfs/dbraw/zinc/81/66/12/325816612.db2.gz IGNQNKSEEIETNK-UHFFFAOYSA-N 2 2 337.221 1.428 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000361750899 445914733 /nfs/dbraw/zinc/91/47/33/445914733.db2.gz ZBZSUSRPDJNOJG-HNNXBMFYSA-N 2 2 337.468 1.414 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000369077735 445914731 /nfs/dbraw/zinc/91/47/31/445914731.db2.gz XUQSNKJKMLWTJU-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000369077735 445914732 /nfs/dbraw/zinc/91/47/32/445914732.db2.gz XUQSNKJKMLWTJU-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369077735 445914734 /nfs/dbraw/zinc/91/47/34/445914734.db2.gz XUQSNKJKMLWTJU-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000369077735 445914737 /nfs/dbraw/zinc/91/47/37/445914737.db2.gz XUQSNKJKMLWTJU-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP COc1ccccc1[C@H](CNc1ncnc2c1C[N@H+](C)CC2)[NH+](C)C ZINC000356655672 445918591 /nfs/dbraw/zinc/91/85/91/445918591.db2.gz DNMSIMUNVXGIOG-KRWDZBQOSA-N 2 2 341.459 2.188 20 0 EDADLP COc1ccccc1[C@H](CNc1ncnc2c1C[N@@H+](C)CC2)[NH+](C)C ZINC000356655672 445918597 /nfs/dbraw/zinc/91/85/97/445918597.db2.gz DNMSIMUNVXGIOG-KRWDZBQOSA-N 2 2 341.459 2.188 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ncc([C@@H](C)O)s3)C2)CC1 ZINC000366025101 445969491 /nfs/dbraw/zinc/96/94/91/445969491.db2.gz VCTKHBKBTFEVHU-CABCVRRESA-N 2 2 338.521 1.797 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncc([C@@H](C)O)s3)C2)CC1 ZINC000366025101 445969497 /nfs/dbraw/zinc/96/94/97/445969497.db2.gz VCTKHBKBTFEVHU-CABCVRRESA-N 2 2 338.521 1.797 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCOCCC(C)C)C[C@H]1C ZINC000354222449 446018426 /nfs/dbraw/zinc/01/84/26/446018426.db2.gz JLDYZISHYZVSSW-SJORKVTESA-N 2 2 327.513 1.970 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCOCCC(C)C)C[C@H]1C ZINC000354222449 446018431 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1.802 20 0 EDADLP CC[N@H+](Cc1nnc(C)o1)[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC000370609861 446357594 /nfs/dbraw/zinc/35/75/94/446357594.db2.gz FKBGPQOPCOICQK-HUUCEWRRSA-N 2 2 346.435 1.165 20 0 EDADLP CC[N@@H+](Cc1nnc(C)o1)[C@@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC000370609861 446357598 /nfs/dbraw/zinc/35/75/98/446357598.db2.gz FKBGPQOPCOICQK-HUUCEWRRSA-N 2 2 346.435 1.165 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000370644826 446370787 /nfs/dbraw/zinc/37/07/87/446370787.db2.gz GZYYTOBHALUDFH-GOSISDBHSA-N 2 2 343.471 1.681 20 0 EDADLP CCc1nc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc(C)[nH+]1 ZINC000376187971 446372201 /nfs/dbraw/zinc/37/22/01/446372201.db2.gz OBXPXFZZTDOOFG-QGZVFWFLSA-N 2 2 347.507 1.579 20 0 EDADLP CCc1nc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc(C)[nH+]1 ZINC000376187971 446372205 /nfs/dbraw/zinc/37/22/05/446372205.db2.gz OBXPXFZZTDOOFG-QGZVFWFLSA-N 2 2 347.507 1.579 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417960364 446401007 /nfs/dbraw/zinc/40/10/07/446401007.db2.gz XJSQRXLAOYEOAG-CABCVRRESA-N 2 2 326.391 1.748 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCCCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417960364 446401009 /nfs/dbraw/zinc/40/10/09/446401009.db2.gz XJSQRXLAOYEOAG-CABCVRRESA-N 2 2 326.391 1.748 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420270814 446441118 /nfs/dbraw/zinc/44/11/18/446441118.db2.gz JNYCLYVXHVNIPH-MRXNPFEDSA-N 2 2 340.471 1.825 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420270814 446441125 /nfs/dbraw/zinc/44/11/25/446441125.db2.gz JNYCLYVXHVNIPH-MRXNPFEDSA-N 2 2 340.471 1.825 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420277449 446446391 /nfs/dbraw/zinc/44/63/91/446446391.db2.gz UAUNOFMYIRXOLQ-GOEBONIOSA-N 2 2 347.459 1.409 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420277449 446446400 /nfs/dbraw/zinc/44/64/00/446446400.db2.gz UAUNOFMYIRXOLQ-GOEBONIOSA-N 2 2 347.459 1.409 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](OC)c3ccccc3)CC2)C1 ZINC000374821343 446406645 /nfs/dbraw/zinc/40/66/45/446406645.db2.gz FEQWNBCZIYWBCZ-PMACEKPBSA-N 2 2 347.503 1.712 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](OC)c3ccccc3)CC2)C1 ZINC000374821343 446406649 /nfs/dbraw/zinc/40/66/49/446406649.db2.gz FEQWNBCZIYWBCZ-PMACEKPBSA-N 2 2 347.503 1.712 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[N@@H+]1CCCC[C@@H]1C ZINC000411134681 446407294 /nfs/dbraw/zinc/40/72/94/446407294.db2.gz OBSOPZXAKHFNFR-UONOGXRCSA-N 2 2 343.431 1.652 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[N@H+]1CCCC[C@@H]1C ZINC000411134681 446407299 /nfs/dbraw/zinc/40/72/99/446407299.db2.gz OBSOPZXAKHFNFR-UONOGXRCSA-N 2 2 343.431 1.652 20 0 EDADLP CCC[NH2+]CCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000418043655 446423298 /nfs/dbraw/zinc/42/32/98/446423298.db2.gz CZQNUSLJMKJSQS-UHFFFAOYSA-N 2 2 338.883 1.997 20 0 EDADLP CCC[NH2+]CCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000418043655 446423303 /nfs/dbraw/zinc/42/33/03/446423303.db2.gz CZQNUSLJMKJSQS-UHFFFAOYSA-N 2 2 338.883 1.997 20 0 EDADLP CN(C(=O)c1cccnc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370818028 446458656 /nfs/dbraw/zinc/45/86/56/446458656.db2.gz DSLCQUHRYUPGSI-AWEZNQCLSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1cccnc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370818028 446458665 /nfs/dbraw/zinc/45/86/65/446458665.db2.gz DSLCQUHRYUPGSI-AWEZNQCLSA-N 2 2 336.867 1.976 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000420296963 446459797 /nfs/dbraw/zinc/45/97/97/446459797.db2.gz CUFNXNDZPQJOLX-SFHVURJKSA-N 2 2 340.431 1.984 20 0 EDADLP c1cc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423234752 446460906 /nfs/dbraw/zinc/46/09/06/446460906.db2.gz QAWGBPVNVJSOBR-ZACQAIPSSA-N 3 2 331.464 1.060 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000420300037 446461401 /nfs/dbraw/zinc/46/14/01/446461401.db2.gz GYMSVRXPQHSTCU-IEBWSBKVSA-N 2 2 339.439 1.650 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000420300037 446461407 /nfs/dbraw/zinc/46/14/07/446461407.db2.gz GYMSVRXPQHSTCU-IEBWSBKVSA-N 2 2 339.439 1.650 20 0 EDADLP Cc1ncsc1C[N@H+](CCN1CCO[C@@H](C)C1)C[C@H]1CC[NH2+]C1 ZINC000420302173 446463121 /nfs/dbraw/zinc/46/31/21/446463121.db2.gz BHFJRUYGEHOTBF-HOCLYGCPSA-N 2 2 338.521 1.584 20 0 EDADLP Cc1ncsc1C[N@@H+](CCN1CCO[C@@H](C)C1)C[C@H]1CC[NH2+]C1 ZINC000420302173 446463125 /nfs/dbraw/zinc/46/31/25/446463125.db2.gz BHFJRUYGEHOTBF-HOCLYGCPSA-N 2 2 338.521 1.584 20 0 EDADLP Cc1ncsc1CN(CC[N@@H+]1CCO[C@@H](C)C1)C[C@H]1CC[NH2+]C1 ZINC000420302173 446463130 /nfs/dbraw/zinc/46/31/30/446463130.db2.gz BHFJRUYGEHOTBF-HOCLYGCPSA-N 2 2 338.521 1.584 20 0 EDADLP Cc1ncsc1CN(CC[N@H+]1CCO[C@@H](C)C1)C[C@H]1CC[NH2+]C1 ZINC000420302173 446463136 /nfs/dbraw/zinc/46/31/36/446463136.db2.gz BHFJRUYGEHOTBF-HOCLYGCPSA-N 2 2 338.521 1.584 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)n2)c(OC)c1 ZINC000420301913 446463782 /nfs/dbraw/zinc/46/37/82/446463782.db2.gz FJYGXXSSLYKPRL-NEPJUHHUSA-N 2 2 332.404 1.923 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)n2)c(OC)c1 ZINC000420301913 446463787 /nfs/dbraw/zinc/46/37/87/446463787.db2.gz FJYGXXSSLYKPRL-NEPJUHHUSA-N 2 2 332.404 1.923 20 0 EDADLP Cc1cc(C)n(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370832261 446467555 /nfs/dbraw/zinc/46/75/55/446467555.db2.gz XQGJPBZKVDGJBR-QGZVFWFLSA-N 2 2 333.480 1.127 20 0 EDADLP Cc1cc(C)n(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370832261 446467559 /nfs/dbraw/zinc/46/75/59/446467559.db2.gz XQGJPBZKVDGJBR-QGZVFWFLSA-N 2 2 333.480 1.127 20 0 EDADLP CC(C)Oc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1Cl ZINC000420306125 446470702 /nfs/dbraw/zinc/47/07/02/446470702.db2.gz ZVVYPUCFSMHVCJ-UHFFFAOYSA-N 2 2 339.867 1.991 20 0 EDADLP CC(C)Oc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1Cl ZINC000420306125 446470704 /nfs/dbraw/zinc/47/07/04/446470704.db2.gz ZVVYPUCFSMHVCJ-UHFFFAOYSA-N 2 2 339.867 1.991 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420317987 446484300 /nfs/dbraw/zinc/48/43/00/446484300.db2.gz VGXHYRXTWOILMA-GFCCVEGCSA-N 2 2 339.461 1.937 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420317987 446484308 /nfs/dbraw/zinc/48/43/08/446484308.db2.gz VGXHYRXTWOILMA-GFCCVEGCSA-N 2 2 339.461 1.937 20 0 EDADLP [NH3+]CCC[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000420327796 446494651 /nfs/dbraw/zinc/49/46/51/446494651.db2.gz YTEYWAODHSZEIX-UHFFFAOYSA-N 2 2 347.850 1.357 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCC[NH3+])[C@@H](C)C1 ZINC000418352196 446510895 /nfs/dbraw/zinc/51/08/95/446510895.db2.gz MJFRGIUPVFFGJQ-HNNXBMFYSA-N 2 2 334.464 1.650 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCC[NH3+])[C@@H](C)C1 ZINC000418352196 446510898 /nfs/dbraw/zinc/51/08/98/446510898.db2.gz MJFRGIUPVFFGJQ-HNNXBMFYSA-N 2 2 334.464 1.650 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@@H]1CC ZINC000423402640 446519101 /nfs/dbraw/zinc/51/91/01/446519101.db2.gz YTCIOYBHAYQFCN-JSGCOSHPSA-N 2 2 326.466 1.102 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@@H]1CC ZINC000423402640 446519111 /nfs/dbraw/zinc/51/91/11/446519111.db2.gz YTCIOYBHAYQFCN-JSGCOSHPSA-N 2 2 326.466 1.102 20 0 EDADLP C[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000420349131 446524616 /nfs/dbraw/zinc/52/46/16/446524616.db2.gz BTGAYEDCIDVIIX-ONGXEEELSA-N 2 2 334.247 1.422 20 0 EDADLP C[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000420349131 446524622 /nfs/dbraw/zinc/52/46/22/446524622.db2.gz BTGAYEDCIDVIIX-ONGXEEELSA-N 2 2 334.247 1.422 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000418400747 446529108 /nfs/dbraw/zinc/52/91/08/446529108.db2.gz MVJFWELXEUCDPY-GOSISDBHSA-N 2 2 346.475 1.650 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351159 446530411 /nfs/dbraw/zinc/53/04/11/446530411.db2.gz JGNJDKLXYXDQTD-PMUMKWKESA-N 2 2 333.476 1.383 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351159 446530414 /nfs/dbraw/zinc/53/04/14/446530414.db2.gz JGNJDKLXYXDQTD-PMUMKWKESA-N 2 2 333.476 1.383 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000420355667 446536335 /nfs/dbraw/zinc/53/63/35/446536335.db2.gz CEKBWLITPVPIJF-VFVRVIDISA-N 2 2 346.500 1.931 20 0 EDADLP C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000420358437 446538375 /nfs/dbraw/zinc/53/83/75/446538375.db2.gz UIPCSZPXZNFTKA-HZPDHXFCSA-N 2 2 339.455 1.671 20 0 EDADLP C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000420358437 446538380 /nfs/dbraw/zinc/53/83/80/446538380.db2.gz UIPCSZPXZNFTKA-HZPDHXFCSA-N 2 2 339.455 1.671 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1OC ZINC000420358686 446539899 /nfs/dbraw/zinc/53/98/99/446539899.db2.gz FTLBKWCFDICJRX-PJIJBLCYSA-N 2 2 349.475 1.638 20 0 EDADLP CO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C12CCC2 ZINC000453067400 446540191 /nfs/dbraw/zinc/54/01/91/446540191.db2.gz AJBRQEVSJKBWFU-GBESFXJTSA-N 2 2 330.472 1.953 20 0 EDADLP CO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C12CCC2 ZINC000453067400 446540194 /nfs/dbraw/zinc/54/01/94/446540194.db2.gz AJBRQEVSJKBWFU-GBESFXJTSA-N 2 2 330.472 1.953 20 0 EDADLP CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C12CCC2 ZINC000453067396 446540875 /nfs/dbraw/zinc/54/08/75/446540875.db2.gz AJBRQEVSJKBWFU-CEXWTWQISA-N 2 2 330.472 1.953 20 0 EDADLP CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C12CCC2 ZINC000453067396 446540885 /nfs/dbraw/zinc/54/08/85/446540885.db2.gz AJBRQEVSJKBWFU-CEXWTWQISA-N 2 2 330.472 1.953 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000423443840 446541473 /nfs/dbraw/zinc/54/14/73/446541473.db2.gz XMNCKUHNMAQGFJ-BRWVUGGUSA-N 2 2 345.491 1.096 20 0 EDADLP Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361784 446541662 /nfs/dbraw/zinc/54/16/62/446541662.db2.gz YOSJGVHRGWJDCS-QGZVFWFLSA-N 2 2 349.519 1.511 20 0 EDADLP Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361784 446541668 /nfs/dbraw/zinc/54/16/68/446541668.db2.gz YOSJGVHRGWJDCS-QGZVFWFLSA-N 2 2 349.519 1.511 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420364296 446543851 /nfs/dbraw/zinc/54/38/51/446543851.db2.gz KDJFIALSDBDFMV-MRXNPFEDSA-N 2 2 333.432 1.909 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423458830 446545294 /nfs/dbraw/zinc/54/52/94/446545294.db2.gz KIYZMLLGRLYLPQ-MTCSXPRVSA-N 2 2 335.492 1.510 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423458830 446545301 /nfs/dbraw/zinc/54/53/01/446545301.db2.gz KIYZMLLGRLYLPQ-MTCSXPRVSA-N 2 2 335.492 1.510 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420366442 446546564 /nfs/dbraw/zinc/54/65/64/446546564.db2.gz RCGDKMKAHKUNMP-OAHLLOKOSA-N 2 2 334.464 1.267 20 0 EDADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000367447454 446547882 /nfs/dbraw/zinc/54/78/82/446547882.db2.gz CAUXMMLVWJFBTA-BBWFWOEESA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000367447454 446547887 /nfs/dbraw/zinc/54/78/87/446547887.db2.gz CAUXMMLVWJFBTA-BBWFWOEESA-N 2 2 337.508 1.724 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420369618 446549341 /nfs/dbraw/zinc/54/93/41/446549341.db2.gz BVWGANQMNSJRGQ-QWHCGFSZSA-N 2 2 334.420 1.260 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420369618 446549345 /nfs/dbraw/zinc/54/93/45/446549345.db2.gz BVWGANQMNSJRGQ-QWHCGFSZSA-N 2 2 334.420 1.260 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)[C@@H](C)C1 ZINC000423473085 446549863 /nfs/dbraw/zinc/54/98/63/446549863.db2.gz IJENFHJXMQNUPT-XHSDSOJGSA-N 3 2 333.467 1.958 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)[C@@H](C)C1 ZINC000423473085 446549866 /nfs/dbraw/zinc/54/98/66/446549866.db2.gz IJENFHJXMQNUPT-XHSDSOJGSA-N 3 2 333.467 1.958 20 0 EDADLP C[C@@H]1CSC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367941745 446611123 /nfs/dbraw/zinc/61/11/23/446611123.db2.gz AQZAYEHZLKAXSW-BMFZPTHFSA-N 2 2 340.537 1.548 20 0 EDADLP C[C@@H]1CSC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367941745 446611127 /nfs/dbraw/zinc/61/11/27/446611127.db2.gz AQZAYEHZLKAXSW-BMFZPTHFSA-N 2 2 340.537 1.548 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000434006462 446617032 /nfs/dbraw/zinc/61/70/32/446617032.db2.gz PFQOYFKOBBZWQJ-ZFWWWQNUSA-N 2 2 347.419 1.340 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420396246 446570783 /nfs/dbraw/zinc/57/07/83/446570783.db2.gz VCUADMQMXCFRHL-KRWDZBQOSA-N 2 2 335.448 1.140 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420396246 446570788 /nfs/dbraw/zinc/57/07/88/446570788.db2.gz VCUADMQMXCFRHL-KRWDZBQOSA-N 2 2 335.448 1.140 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C1 ZINC000376554287 446572325 /nfs/dbraw/zinc/57/23/25/446572325.db2.gz SNBKZMAFZPAHPG-RTBURBONSA-N 2 2 339.524 1.266 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C1 ZINC000376554287 446572329 /nfs/dbraw/zinc/57/23/29/446572329.db2.gz SNBKZMAFZPAHPG-RTBURBONSA-N 2 2 339.524 1.266 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000376560114 446576068 /nfs/dbraw/zinc/57/60/68/446576068.db2.gz APWCNOFCNDBQTL-HOTGVXAUSA-N 2 2 336.480 1.119 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC000420411057 446585182 /nfs/dbraw/zinc/58/51/82/446585182.db2.gz RQFCHADAJLSNFM-MELADBBJSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC000420411057 446585188 /nfs/dbraw/zinc/58/51/88/446585188.db2.gz RQFCHADAJLSNFM-MELADBBJSA-N 2 2 335.448 1.948 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423611235 446603987 /nfs/dbraw/zinc/60/39/87/446603987.db2.gz NZJBSPOHQVECFM-KRWDZBQOSA-N 2 2 335.492 1.480 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423611235 446603993 /nfs/dbraw/zinc/60/39/93/446603993.db2.gz NZJBSPOHQVECFM-KRWDZBQOSA-N 2 2 335.492 1.480 20 0 EDADLP CC(C)n1ncnc1CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000434469387 446647295 /nfs/dbraw/zinc/64/72/95/446647295.db2.gz IQTWWWIXQVGAGH-UHFFFAOYSA-N 2 2 334.512 1.849 20 0 EDADLP Cc1nc([C@@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000368132801 446658823 /nfs/dbraw/zinc/65/88/23/446658823.db2.gz RSXXWUXIKUZEMX-CYBMUJFWSA-N 2 2 335.452 1.315 20 0 EDADLP CC(C)(C)c1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)no1 ZINC000368132835 446659430 /nfs/dbraw/zinc/65/94/30/446659430.db2.gz RVFWNGCTKRDCDD-UHFFFAOYSA-N 2 2 337.464 1.631 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cn2)CC1 ZINC000368137278 446662711 /nfs/dbraw/zinc/66/27/11/446662711.db2.gz YZPDVCZHZCQDOR-MSOLQXFVSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cn2)CC1 ZINC000368137278 446662717 /nfs/dbraw/zinc/66/27/17/446662717.db2.gz YZPDVCZHZCQDOR-MSOLQXFVSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cn2)CC1 ZINC000368137278 446662720 /nfs/dbraw/zinc/66/27/20/446662720.db2.gz YZPDVCZHZCQDOR-MSOLQXFVSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cn2)CC1 ZINC000368137278 446662723 /nfs/dbraw/zinc/66/27/23/446662723.db2.gz YZPDVCZHZCQDOR-MSOLQXFVSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](C3CC3)C(F)(F)F)C2)CC1 ZINC000376706277 446665068 /nfs/dbraw/zinc/66/50/68/446665068.db2.gz JBPMQGCKJYPXRK-GXTWGEPZSA-N 2 2 348.413 1.795 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](C3CC3)C(F)(F)F)C2)CC1 ZINC000376706277 446665076 /nfs/dbraw/zinc/66/50/76/446665076.db2.gz JBPMQGCKJYPXRK-GXTWGEPZSA-N 2 2 348.413 1.795 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000371175127 446674108 /nfs/dbraw/zinc/67/41/08/446674108.db2.gz FNJAVILMKYNDKN-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000371175127 446674110 /nfs/dbraw/zinc/67/41/10/446674110.db2.gz FNJAVILMKYNDKN-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000368155583 446674195 /nfs/dbraw/zinc/67/41/95/446674195.db2.gz PBDNBYLZNGNQNJ-WBVHZDCISA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000368155583 446674205 /nfs/dbraw/zinc/67/42/05/446674205.db2.gz PBDNBYLZNGNQNJ-WBVHZDCISA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000368155583 446674211 /nfs/dbraw/zinc/67/42/11/446674211.db2.gz PBDNBYLZNGNQNJ-WBVHZDCISA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000368155583 446674219 /nfs/dbraw/zinc/67/42/19/446674219.db2.gz PBDNBYLZNGNQNJ-WBVHZDCISA-N 2 2 338.496 1.269 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000423748778 446677910 /nfs/dbraw/zinc/67/79/10/446677910.db2.gz BDSKCCAJFJEKSM-WMLDXEAASA-N 2 2 337.489 1.546 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000434098442 446622190 /nfs/dbraw/zinc/62/21/90/446622190.db2.gz REJDZASWLISRMB-UHFFFAOYSA-N 2 2 346.479 1.431 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000434098442 446622200 /nfs/dbraw/zinc/62/22/00/446622200.db2.gz REJDZASWLISRMB-UHFFFAOYSA-N 2 2 346.479 1.431 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000434272508 446633452 /nfs/dbraw/zinc/63/34/52/446633452.db2.gz UUFDNBIESBILDI-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000434272508 446633456 /nfs/dbraw/zinc/63/34/56/446633456.db2.gz UUFDNBIESBILDI-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000423760134 446688550 /nfs/dbraw/zinc/68/85/50/446688550.db2.gz JDOOBBMEJSOVIP-BASYENTBSA-N 2 2 341.496 1.087 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000423760134 446688558 /nfs/dbraw/zinc/68/85/58/446688558.db2.gz JDOOBBMEJSOVIP-BASYENTBSA-N 2 2 341.496 1.087 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000418773424 446691332 /nfs/dbraw/zinc/69/13/32/446691332.db2.gz VGCFUVPOAUGHEV-CABCVRRESA-N 2 2 344.450 1.605 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000418773424 446691338 /nfs/dbraw/zinc/69/13/38/446691338.db2.gz VGCFUVPOAUGHEV-CABCVRRESA-N 2 2 344.450 1.605 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368181469 446691583 /nfs/dbraw/zinc/69/15/83/446691583.db2.gz VFTAZCHXELUPDV-INIZCTEOSA-N 2 2 347.463 1.436 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368181469 446691586 /nfs/dbraw/zinc/69/15/86/446691586.db2.gz VFTAZCHXELUPDV-INIZCTEOSA-N 2 2 347.463 1.436 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)s1 ZINC000423767503 446694841 /nfs/dbraw/zinc/69/48/41/446694841.db2.gz ZKDXTXKOALKIBV-GJZGRUSLSA-N 2 2 337.489 1.688 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)[C@@H](C)C1 ZINC000418778843 446697554 /nfs/dbraw/zinc/69/75/54/446697554.db2.gz YXTPHGQXWHCYMD-IHRRRGAJSA-N 2 2 332.439 1.603 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)[C@@H](C)C1 ZINC000418778843 446697556 /nfs/dbraw/zinc/69/75/56/446697556.db2.gz YXTPHGQXWHCYMD-IHRRRGAJSA-N 2 2 332.439 1.603 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N)[C@@H]1c1ccc(F)c(F)c1 ZINC000423822028 446710817 /nfs/dbraw/zinc/71/08/17/446710817.db2.gz IFKYQIVKVAUFSC-CVEARBPZSA-N 2 2 332.354 1.948 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N)[C@@H]1c1ccc(F)c(F)c1 ZINC000423822028 446710823 /nfs/dbraw/zinc/71/08/23/446710823.db2.gz IFKYQIVKVAUFSC-CVEARBPZSA-N 2 2 332.354 1.948 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423827183 446715958 /nfs/dbraw/zinc/71/59/58/446715958.db2.gz NJEJKQFJQFYDFL-SGIREYDYSA-N 2 2 327.375 1.190 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423827183 446715960 /nfs/dbraw/zinc/71/59/60/446715960.db2.gz NJEJKQFJQFYDFL-SGIREYDYSA-N 2 2 327.375 1.190 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCc3ccccn3)C2)CC1 ZINC000371272531 446731872 /nfs/dbraw/zinc/73/18/72/446731872.db2.gz DXRRFGFTXPKGLT-KRWDZBQOSA-N 2 2 345.491 1.482 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCc3ccccn3)C2)CC1 ZINC000371272531 446731879 /nfs/dbraw/zinc/73/18/79/446731879.db2.gz DXRRFGFTXPKGLT-KRWDZBQOSA-N 2 2 345.491 1.482 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000376811522 446733918 /nfs/dbraw/zinc/73/39/18/446733918.db2.gz JUOQKRRFETWWTH-FUHWJXTLSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000376811522 446733923 /nfs/dbraw/zinc/73/39/23/446733923.db2.gz JUOQKRRFETWWTH-FUHWJXTLSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000376811522 446733927 /nfs/dbraw/zinc/73/39/27/446733927.db2.gz JUOQKRRFETWWTH-FUHWJXTLSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000376811522 446733934 /nfs/dbraw/zinc/73/39/34/446733934.db2.gz JUOQKRRFETWWTH-FUHWJXTLSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](O)c1cnc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000368272704 446752695 /nfs/dbraw/zinc/75/26/95/446752695.db2.gz ITFHDDCLMBNJBP-ZFWWWQNUSA-N 2 2 338.521 1.797 20 0 EDADLP C[C@H](O)c1cnc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000368272704 446752701 /nfs/dbraw/zinc/75/27/01/446752701.db2.gz ITFHDDCLMBNJBP-ZFWWWQNUSA-N 2 2 338.521 1.797 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000375383822 446761798 /nfs/dbraw/zinc/76/17/98/446761798.db2.gz GKMNUCZGTJPJCZ-HNNXBMFYSA-N 2 2 333.480 1.450 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423917999 446767183 /nfs/dbraw/zinc/76/71/83/446767183.db2.gz PADAOKWPCXQOGQ-UKTARXLSSA-N 2 2 325.453 1.632 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423917999 446767186 /nfs/dbraw/zinc/76/71/86/446767186.db2.gz PADAOKWPCXQOGQ-UKTARXLSSA-N 2 2 325.453 1.632 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c[nH+]1 ZINC000371316744 446769672 /nfs/dbraw/zinc/76/96/72/446769672.db2.gz IQFQGYMYALAKHE-MAUKXSAKSA-N 2 2 345.491 1.610 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]([NH3+])C(C)C ZINC000423923579 446773324 /nfs/dbraw/zinc/77/33/24/446773324.db2.gz XXGVXCBQOCDNNX-KCQAQPDRSA-N 2 2 326.416 1.303 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]([NH3+])C(C)C ZINC000423923579 446773332 /nfs/dbraw/zinc/77/33/32/446773332.db2.gz XXGVXCBQOCDNNX-KCQAQPDRSA-N 2 2 326.416 1.303 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923753 446774070 /nfs/dbraw/zinc/77/40/70/446774070.db2.gz CMLPJUZFCXTXLO-GOEBONIOSA-N 2 2 332.448 1.645 20 0 EDADLP O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371348298 446796045 /nfs/dbraw/zinc/79/60/45/446796045.db2.gz VEOUGZKNWSMEJC-HZPDHXFCSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000371348298 446796053 /nfs/dbraw/zinc/79/60/53/446796053.db2.gz VEOUGZKNWSMEJC-HZPDHXFCSA-N 2 2 329.448 1.540 20 0 EDADLP C[C@@H](CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)C1CC[NH2+]CC1 ZINC000423884086 446741536 /nfs/dbraw/zinc/74/15/36/446741536.db2.gz YGLUSNSTOFSALX-YJBOKZPZSA-N 2 2 337.508 1.581 20 0 EDADLP C[C@@H](CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)C1CC[NH2+]CC1 ZINC000423884086 446741542 /nfs/dbraw/zinc/74/15/42/446741542.db2.gz YGLUSNSTOFSALX-YJBOKZPZSA-N 2 2 337.508 1.581 20 0 EDADLP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1csnn1 ZINC000412048815 446810976 /nfs/dbraw/zinc/81/09/76/446810976.db2.gz YGFPEVYJYWXXNX-WFASDCNBSA-N 2 2 333.461 1.608 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368368227 446814778 /nfs/dbraw/zinc/81/47/78/446814778.db2.gz AHMJRMKQZKGHBQ-QGZVFWFLSA-N 2 2 338.496 1.367 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368368227 446814784 /nfs/dbraw/zinc/81/47/84/446814784.db2.gz AHMJRMKQZKGHBQ-QGZVFWFLSA-N 2 2 338.496 1.367 20 0 EDADLP CC[N@H+](CCCNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1 ZINC000368400674 446839623 /nfs/dbraw/zinc/83/96/23/446839623.db2.gz VRTKUVCEOWGEPL-ALOPSCKCSA-N 2 2 343.471 1.834 20 0 EDADLP CC[N@@H+](CCCNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1 ZINC000368400674 446839627 /nfs/dbraw/zinc/83/96/27/446839627.db2.gz VRTKUVCEOWGEPL-ALOPSCKCSA-N 2 2 343.471 1.834 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000376936201 446808197 /nfs/dbraw/zinc/80/81/97/446808197.db2.gz XWDIETMDXRNSJH-QGZVFWFLSA-N 2 2 334.464 1.645 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000376936201 446808203 /nfs/dbraw/zinc/80/82/03/446808203.db2.gz XWDIETMDXRNSJH-QGZVFWFLSA-N 2 2 334.464 1.645 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000419000966 446857734 /nfs/dbraw/zinc/85/77/34/446857734.db2.gz KZJUCJRXLGVSME-NVXWUHKLSA-N 2 2 346.475 1.263 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000419000966 446857738 /nfs/dbraw/zinc/85/77/38/446857738.db2.gz KZJUCJRXLGVSME-NVXWUHKLSA-N 2 2 346.475 1.263 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375517352 446866953 /nfs/dbraw/zinc/86/69/53/446866953.db2.gz RPVDYRXOASKZHD-BRWVUGGUSA-N 2 2 330.476 1.953 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375517352 446866962 /nfs/dbraw/zinc/86/69/62/446866962.db2.gz RPVDYRXOASKZHD-BRWVUGGUSA-N 2 2 330.476 1.953 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(F)F ZINC000454444789 446876751 /nfs/dbraw/zinc/87/67/51/446876751.db2.gz CXPMDVCTHBOARA-GFCCVEGCSA-N 2 2 332.439 1.888 20 0 EDADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918616 446887934 /nfs/dbraw/zinc/88/79/34/446887934.db2.gz WQWSHKAEWSHPPE-HNNXBMFYSA-N 2 2 340.489 1.384 20 0 EDADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918616 446887939 /nfs/dbraw/zinc/88/79/39/446887939.db2.gz WQWSHKAEWSHPPE-HNNXBMFYSA-N 2 2 340.489 1.384 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC[S@](=O)C1 ZINC000420923368 446892966 /nfs/dbraw/zinc/89/29/66/446892966.db2.gz PXUIRBYMOVNSFW-HJPURHCSSA-N 2 2 336.501 1.719 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC[S@](=O)C1 ZINC000420923368 446892972 /nfs/dbraw/zinc/89/29/72/446892972.db2.gz PXUIRBYMOVNSFW-HJPURHCSSA-N 2 2 336.501 1.719 20 0 EDADLP Cc1nc(CC[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000420933359 446904199 /nfs/dbraw/zinc/90/41/99/446904199.db2.gz IHILQIXPTPCRCO-UHFFFAOYSA-N 2 2 330.432 1.885 20 0 EDADLP Cc1nc(CC[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000420933359 446904204 /nfs/dbraw/zinc/90/42/04/446904204.db2.gz IHILQIXPTPCRCO-UHFFFAOYSA-N 2 2 330.432 1.885 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960391 446930018 /nfs/dbraw/zinc/93/00/18/446930018.db2.gz GTXVYZAKYFQHPJ-ZWKOTPCHSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960391 446930023 /nfs/dbraw/zinc/93/00/23/446930023.db2.gz GTXVYZAKYFQHPJ-ZWKOTPCHSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000371579918 446934736 /nfs/dbraw/zinc/93/47/36/446934736.db2.gz MCTZBWVMQAADPY-NVXWUHKLSA-N 3 2 349.523 1.105 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000371579918 446934744 /nfs/dbraw/zinc/93/47/44/446934744.db2.gz MCTZBWVMQAADPY-NVXWUHKLSA-N 3 2 349.523 1.105 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000371579918 446934751 /nfs/dbraw/zinc/93/47/51/446934751.db2.gz MCTZBWVMQAADPY-NVXWUHKLSA-N 3 2 349.523 1.105 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000371579918 446934761 /nfs/dbraw/zinc/93/47/61/446934761.db2.gz MCTZBWVMQAADPY-NVXWUHKLSA-N 3 2 349.523 1.105 20 0 EDADLP C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420979174 446952775 /nfs/dbraw/zinc/95/27/75/446952775.db2.gz VFVNVQCUNRQSJS-KRWDZBQOSA-N 2 2 333.476 1.017 20 0 EDADLP C[C@H]1C[N@@H+](CCO)CCN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420979174 446952781 /nfs/dbraw/zinc/95/27/81/446952781.db2.gz VFVNVQCUNRQSJS-KRWDZBQOSA-N 2 2 333.476 1.017 20 0 EDADLP C[C@H]1CN(CCO)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420979174 446952788 /nfs/dbraw/zinc/95/27/88/446952788.db2.gz VFVNVQCUNRQSJS-KRWDZBQOSA-N 2 2 333.476 1.017 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000442762422 446955591 /nfs/dbraw/zinc/95/55/91/446955591.db2.gz HFTNHSJGMUDMMR-QWHCGFSZSA-N 2 2 327.450 1.233 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000442762422 446955600 /nfs/dbraw/zinc/95/56/00/446955600.db2.gz HFTNHSJGMUDMMR-QWHCGFSZSA-N 2 2 327.450 1.233 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000442763574 446957273 /nfs/dbraw/zinc/95/72/73/446957273.db2.gz DMFDDBUPMDRQDF-UWVGGRQHSA-N 2 2 327.331 1.616 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000442763574 446957276 /nfs/dbraw/zinc/95/72/76/446957276.db2.gz DMFDDBUPMDRQDF-UWVGGRQHSA-N 2 2 327.331 1.616 20 0 EDADLP CN(C(=O)c1cc(F)ccc1O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371974828 446979466 /nfs/dbraw/zinc/97/94/66/446979466.db2.gz QNOVOGTUJQLRKB-OAHLLOKOSA-N 2 2 335.423 1.772 20 0 EDADLP CN(C(=O)c1cc(F)ccc1O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371974828 446979471 /nfs/dbraw/zinc/97/94/71/446979471.db2.gz QNOVOGTUJQLRKB-OAHLLOKOSA-N 2 2 335.423 1.772 20 0 EDADLP C[N@H+](CCNC(=O)NC(C)(C)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000413170568 447046964 /nfs/dbraw/zinc/04/69/64/447046964.db2.gz MZKBGYPCGQWKJA-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP C[N@@H+](CCNC(=O)NC(C)(C)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000413170568 447046966 /nfs/dbraw/zinc/04/69/66/447046966.db2.gz MZKBGYPCGQWKJA-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP COc1cc2[nH+]c(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)nc(N)c2cc1OC ZINC000443525620 447060117 /nfs/dbraw/zinc/06/01/17/447060117.db2.gz ZPXVRSCCOVBWQB-MNOVXSKESA-N 2 2 331.420 1.758 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375813339 447072324 /nfs/dbraw/zinc/07/23/24/447072324.db2.gz ZIFGMKCGZJVMPZ-CVEARBPZSA-N 2 2 336.436 1.561 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)nc[nH+]1 ZINC000413138290 447029012 /nfs/dbraw/zinc/02/90/12/447029012.db2.gz ZYGCZPQIDILWGW-CYBMUJFWSA-N 2 2 330.436 1.462 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)[nH+]cn1 ZINC000413138290 447029016 /nfs/dbraw/zinc/02/90/16/447029016.db2.gz ZYGCZPQIDILWGW-CYBMUJFWSA-N 2 2 330.436 1.462 20 0 EDADLP CN(C)c1[nH+]cc(CN2CC[NH+](CCc3cccs3)CC2)n1C ZINC000425332417 447119263 /nfs/dbraw/zinc/11/92/63/447119263.db2.gz ZCSLJDPUFOHVTQ-UHFFFAOYSA-N 2 2 333.505 1.908 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000444696200 447121616 /nfs/dbraw/zinc/12/16/16/447121616.db2.gz VFCSVDREVSURRS-UHFFFAOYSA-N 2 2 325.403 1.997 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000444696200 447121624 /nfs/dbraw/zinc/12/16/24/447121624.db2.gz VFCSVDREVSURRS-UHFFFAOYSA-N 2 2 325.403 1.997 20 0 EDADLP CCN(CCC[NH+]1CCCC1)c1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000425258929 447084444 /nfs/dbraw/zinc/08/44/44/447084444.db2.gz UJKSXPHEPFOCSD-DLBZAZTESA-N 2 2 347.507 1.996 20 0 EDADLP CCN(CCC[NH+]1CCCC1)c1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000425258929 447084452 /nfs/dbraw/zinc/08/44/52/447084452.db2.gz UJKSXPHEPFOCSD-DLBZAZTESA-N 2 2 347.507 1.996 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1coc(C[NH3+])c1 ZINC000444172456 447087330 /nfs/dbraw/zinc/08/73/30/447087330.db2.gz RJQNVJHMBWKOLT-CQSZACIVSA-N 2 2 343.431 1.074 20 0 EDADLP Cc1cccc(CCC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)n1 ZINC000375848559 447096763 /nfs/dbraw/zinc/09/67/63/447096763.db2.gz DLWJNIPYBLHTQJ-UHFFFAOYSA-N 2 2 346.519 1.709 20 0 EDADLP Cc1cccc(CCC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)n1 ZINC000375848559 447096767 /nfs/dbraw/zinc/09/67/67/447096767.db2.gz DLWJNIPYBLHTQJ-UHFFFAOYSA-N 2 2 346.519 1.709 20 0 EDADLP Cc1c(Cl)c(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nn1C ZINC000421351657 447138267 /nfs/dbraw/zinc/13/82/67/447138267.db2.gz CRVUZQIAZDFASZ-ZDUSSCGKSA-N 2 2 339.915 1.982 20 0 EDADLP Cc1c(Cl)c(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nn1C ZINC000421351657 447138273 /nfs/dbraw/zinc/13/82/73/447138273.db2.gz CRVUZQIAZDFASZ-ZDUSSCGKSA-N 2 2 339.915 1.982 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNc1nc(N[C@H]3CCCOC3)cc[nH+]1)CCC2 ZINC000372571175 447150741 /nfs/dbraw/zinc/15/07/41/447150741.db2.gz OJIJMBRWUPUMMT-CABCVRRESA-N 2 2 342.447 2.562 20 0 EDADLP CN1CC[NH+](C[C@H]2CN(c3cc[nH+]c4ccccc43)CCO2)CC1 ZINC000375983704 447191707 /nfs/dbraw/zinc/19/17/07/447191707.db2.gz FNNBIAIYIUEWQW-INIZCTEOSA-N 2 2 326.444 1.687 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000372592513 447168963 /nfs/dbraw/zinc/16/89/63/447168963.db2.gz QHCUIKLBEPVRND-CYBMUJFWSA-N 2 2 347.488 1.665 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000372592513 447168973 /nfs/dbraw/zinc/16/89/73/447168973.db2.gz QHCUIKLBEPVRND-CYBMUJFWSA-N 2 2 347.488 1.665 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000368954043 447222624 /nfs/dbraw/zinc/22/26/24/447222624.db2.gz CLTQALULYVGVPB-NEPJUHHUSA-N 2 2 345.369 1.871 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368954043 447222629 /nfs/dbraw/zinc/22/26/29/447222629.db2.gz CLTQALULYVGVPB-NEPJUHHUSA-N 2 2 345.369 1.871 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)cn3)CC2)CC1 ZINC000372732970 447255011 /nfs/dbraw/zinc/25/50/11/447255011.db2.gz UDPDZDVKWADRRB-UHFFFAOYSA-N 2 2 334.439 1.597 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414294801 447288665 /nfs/dbraw/zinc/28/86/65/447288665.db2.gz DWMUVBHDESSFFB-UHFFFAOYSA-N 2 2 329.448 1.624 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000414399080 447298384 /nfs/dbraw/zinc/29/83/84/447298384.db2.gz BLKOOWVHTUKUKQ-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cn1C ZINC000377652477 447274002 /nfs/dbraw/zinc/27/40/02/447274002.db2.gz KXPGFLAIFOVACK-DOTOQJQBSA-N 2 2 348.491 1.270 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cn1C ZINC000377652477 447274003 /nfs/dbraw/zinc/27/40/03/447274003.db2.gz KXPGFLAIFOVACK-DOTOQJQBSA-N 2 2 348.491 1.270 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3cc(OC)ncn3)no2)[C@@H](C)C1 ZINC000450562949 447526592 /nfs/dbraw/zinc/52/65/92/447526592.db2.gz IPMBXXINNBLIMR-JSGCOSHPSA-N 2 2 346.435 1.697 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3cc(OC)ncn3)no2)[C@@H](C)C1 ZINC000450562949 447526596 /nfs/dbraw/zinc/52/65/96/447526596.db2.gz IPMBXXINNBLIMR-JSGCOSHPSA-N 2 2 346.435 1.697 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3cc(OC)ncn3)no2)[C@@H](C)C1 ZINC000450562949 447526602 /nfs/dbraw/zinc/52/66/02/447526602.db2.gz IPMBXXINNBLIMR-JSGCOSHPSA-N 2 2 346.435 1.697 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3cc(OC)ncn3)no2)[C@@H](C)C1 ZINC000450562949 447526606 /nfs/dbraw/zinc/52/66/06/447526606.db2.gz IPMBXXINNBLIMR-JSGCOSHPSA-N 2 2 346.435 1.697 20 0 EDADLP COCC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000457524608 447586900 /nfs/dbraw/zinc/58/69/00/447586900.db2.gz VCNAYCZQAXWUMZ-UHFFFAOYSA-N 2 2 337.508 1.868 20 0 EDADLP CN(C(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000416237579 447546157 /nfs/dbraw/zinc/54/61/57/447546157.db2.gz FEJYEUANAMKRCY-MOPGFXCFSA-N 2 2 343.471 1.366 20 0 EDADLP CN(C(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000416237579 447546170 /nfs/dbraw/zinc/54/61/70/447546170.db2.gz FEJYEUANAMKRCY-MOPGFXCFSA-N 2 2 343.471 1.366 20 0 EDADLP CN(C(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000416237579 447546176 /nfs/dbraw/zinc/54/61/76/447546176.db2.gz FEJYEUANAMKRCY-MOPGFXCFSA-N 2 2 343.471 1.366 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000400179197 447569586 /nfs/dbraw/zinc/56/95/86/447569586.db2.gz OIMUXKGCIIIRCH-ZFWWWQNUSA-N 2 2 334.445 1.557 20 0 EDADLP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400479035 447572853 /nfs/dbraw/zinc/57/28/53/447572853.db2.gz VSIKKMJLBAAQMY-LSDHHAIUSA-N 2 2 329.485 1.942 20 0 EDADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400479035 447572862 /nfs/dbraw/zinc/57/28/62/447572862.db2.gz VSIKKMJLBAAQMY-LSDHHAIUSA-N 2 2 329.485 1.942 20 0 EDADLP COCCOC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450926677 447621797 /nfs/dbraw/zinc/62/17/97/447621797.db2.gz NFGDTLZTFVUHRQ-DOTOQJQBSA-N 2 2 337.464 1.423 20 0 EDADLP COCCOC[C@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450926677 447621805 /nfs/dbraw/zinc/62/18/05/447621805.db2.gz NFGDTLZTFVUHRQ-DOTOQJQBSA-N 2 2 337.464 1.423 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000416911820 447706776 /nfs/dbraw/zinc/70/67/76/447706776.db2.gz DDRIICXMSYHCDN-KCPJHIHWSA-N 2 2 331.395 1.637 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc(C)[nH+]1 ZINC000422585927 447655955 /nfs/dbraw/zinc/65/59/55/447655955.db2.gz DXLWPMXZMTZQHP-INIZCTEOSA-N 2 2 330.432 1.010 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc(C)[nH+]1 ZINC000422585927 447655959 /nfs/dbraw/zinc/65/59/59/447655959.db2.gz DXLWPMXZMTZQHP-INIZCTEOSA-N 2 2 330.432 1.010 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422626029 447675369 /nfs/dbraw/zinc/67/53/69/447675369.db2.gz DCKKVKLXBSUHCQ-ILXRZTDVSA-N 2 2 340.489 1.774 20 0 EDADLP [NH3+][C@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000420220155 447675343 /nfs/dbraw/zinc/67/53/43/447675343.db2.gz PJAPETLRXPRQIL-GDBMZVCRSA-N 2 2 327.432 1.797 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422626029 447675375 /nfs/dbraw/zinc/67/53/75/447675375.db2.gz DCKKVKLXBSUHCQ-ILXRZTDVSA-N 2 2 340.489 1.774 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000416925430 447711501 /nfs/dbraw/zinc/71/15/01/447711501.db2.gz YJRIHVXNBYOURX-KRWDZBQOSA-N 2 2 327.432 1.825 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000416933164 447713874 /nfs/dbraw/zinc/71/38/74/447713874.db2.gz QDWJYELOEHGGAI-CQSZACIVSA-N 2 2 347.463 1.126 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416955367 447726683 /nfs/dbraw/zinc/72/66/83/447726683.db2.gz MKFBPQDUWQHRCT-WBVHZDCISA-N 2 2 341.459 1.771 20 0 EDADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422716393 447727094 /nfs/dbraw/zinc/72/70/94/447727094.db2.gz UMLQKKHNNLWMRJ-FXAWDEMLSA-N 3 2 330.520 1.912 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000422720109 447727502 /nfs/dbraw/zinc/72/75/02/447727502.db2.gz ZPYGBMSEIHZASH-HOJAQTOUSA-N 2 2 347.503 1.287 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459634576 447728263 /nfs/dbraw/zinc/72/82/63/447728263.db2.gz OIZNWHUBEPCKFR-SCLBCKFNSA-N 2 2 344.415 1.223 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@](O)(CO)C1 ZINC000459634576 447728266 /nfs/dbraw/zinc/72/82/66/447728266.db2.gz OIZNWHUBEPCKFR-SCLBCKFNSA-N 2 2 344.415 1.223 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000416995923 447729995 /nfs/dbraw/zinc/72/99/95/447729995.db2.gz WBWGBEJXWYBZJA-UHFFFAOYSA-N 2 2 341.406 1.855 20 0 EDADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+](C2CC2)C1 ZINC000458169431 447734088 /nfs/dbraw/zinc/73/40/88/447734088.db2.gz HLEQXOGYBQDKIP-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+](C2CC2)C1 ZINC000458169431 447734091 /nfs/dbraw/zinc/73/40/91/447734091.db2.gz HLEQXOGYBQDKIP-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+](C2CC2)C1 ZINC000458169431 447734096 /nfs/dbraw/zinc/73/40/96/447734096.db2.gz HLEQXOGYBQDKIP-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+](C2CC2)C1 ZINC000458169431 447734098 /nfs/dbraw/zinc/73/40/98/447734098.db2.gz HLEQXOGYBQDKIP-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417259948 447739529 /nfs/dbraw/zinc/73/95/29/447739529.db2.gz ZQSMJFLEKJRMCX-LXTVHRRPSA-N 2 2 346.466 1.897 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417259948 447739532 /nfs/dbraw/zinc/73/95/32/447739532.db2.gz ZQSMJFLEKJRMCX-LXTVHRRPSA-N 2 2 346.466 1.897 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422758042 447741782 /nfs/dbraw/zinc/74/17/82/447741782.db2.gz JZFXVBLLNXXFQU-YDHLFZDLSA-N 2 2 341.477 1.012 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422757596 447741856 /nfs/dbraw/zinc/74/18/56/447741856.db2.gz JTPJPGGDHDPFFG-YHUYYLMFSA-N 2 2 325.497 1.626 20 0 EDADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422767237 447744517 /nfs/dbraw/zinc/74/45/17/447744517.db2.gz MKZCCCGXMJZSQV-WOJBJXKFSA-N 3 2 345.487 1.375 20 0 EDADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422767237 447744520 /nfs/dbraw/zinc/74/45/20/447744520.db2.gz MKZCCCGXMJZSQV-WOJBJXKFSA-N 2 2 345.487 1.375 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422795091 447752600 /nfs/dbraw/zinc/75/26/00/447752600.db2.gz ZRGNEGRJHGKKLA-WOJBJXKFSA-N 3 2 346.519 1.715 20 0 EDADLP c1cn(Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c[nH+]1 ZINC000422814718 447757930 /nfs/dbraw/zinc/75/79/30/447757930.db2.gz VYUFETMZCKJIIZ-MOPGFXCFSA-N 3 2 326.444 1.788 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496374672 447760246 /nfs/dbraw/zinc/76/02/46/447760246.db2.gz DOJGPNVLKWQTDK-HUUCEWRRSA-N 2 2 329.485 1.975 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496374672 447760251 /nfs/dbraw/zinc/76/02/51/447760251.db2.gz DOJGPNVLKWQTDK-HUUCEWRRSA-N 2 2 329.485 1.975 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000430560268 447779098 /nfs/dbraw/zinc/77/90/98/447779098.db2.gz GKSUSLFRKKMHAF-SJCJKPOMSA-N 2 2 327.419 1.975 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565285 447780404 /nfs/dbraw/zinc/78/04/04/447780404.db2.gz FEZSTFZUGGRZFR-IEBWSBKVSA-N 3 2 344.503 1.390 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565285 447780406 /nfs/dbraw/zinc/78/04/06/447780406.db2.gz FEZSTFZUGGRZFR-IEBWSBKVSA-N 3 2 344.503 1.390 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2c[nH+]ccc2N)nc[nH+]1 ZINC000422963047 447782236 /nfs/dbraw/zinc/78/22/36/447782236.db2.gz FGNSYMPKVLMVOR-OLZOCXBDSA-N 3 2 327.436 1.645 20 0 EDADLP COCCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000422977551 447786283 /nfs/dbraw/zinc/78/62/83/447786283.db2.gz XAFXXHGVZMCHFX-GVDBMIGSSA-N 2 2 335.448 1.354 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423018179 447791863 /nfs/dbraw/zinc/79/18/63/447791863.db2.gz YGOYSVYZEDZZMC-RYUDHWBXSA-N 2 2 333.354 1.836 20 0 EDADLP FC(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423094246 447803775 /nfs/dbraw/zinc/80/37/75/447803775.db2.gz BLAFTCNRAYNRGW-RRFJBIMHSA-N 2 2 341.402 1.972 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)C1 ZINC000488502884 447847822 /nfs/dbraw/zinc/84/78/22/447847822.db2.gz ISETZUXDHRWLFH-ZKRNXSKHSA-N 2 2 333.480 1.239 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000569676364 447862847 /nfs/dbraw/zinc/86/28/47/447862847.db2.gz BBRFIOXUEQCOQZ-CYBMUJFWSA-N 2 2 338.883 1.902 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000569676364 447862851 /nfs/dbraw/zinc/86/28/51/447862851.db2.gz BBRFIOXUEQCOQZ-CYBMUJFWSA-N 2 2 338.883 1.902 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000496581330 447826193 /nfs/dbraw/zinc/82/61/93/447826193.db2.gz LDLFNFWLTGEGFR-BMFZPTHFSA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000496581330 447826195 /nfs/dbraw/zinc/82/61/95/447826195.db2.gz LDLFNFWLTGEGFR-BMFZPTHFSA-N 2 2 339.480 1.695 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000569808683 447895719 /nfs/dbraw/zinc/89/57/19/447895719.db2.gz GAZQVLLTYNKNJG-HZPDHXFCSA-N 2 2 339.480 1.285 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000569808683 447895722 /nfs/dbraw/zinc/89/57/22/447895722.db2.gz GAZQVLLTYNKNJG-HZPDHXFCSA-N 2 2 339.480 1.285 20 0 EDADLP CO[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000569821141 447899248 /nfs/dbraw/zinc/89/92/48/447899248.db2.gz QJRZZFLTVYKOGZ-GJZGRUSLSA-N 2 2 340.855 1.312 20 0 EDADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000569821141 447899253 /nfs/dbraw/zinc/89/92/53/447899253.db2.gz QJRZZFLTVYKOGZ-GJZGRUSLSA-N 2 2 340.855 1.312 20 0 EDADLP CC(C)CN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC[NH+](C)CC1 ZINC000523697711 447901859 /nfs/dbraw/zinc/90/18/59/447901859.db2.gz MMIQUABEAUXOID-UHFFFAOYSA-N 2 2 342.447 1.855 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569847213 447906178 /nfs/dbraw/zinc/90/61/78/447906178.db2.gz JIHJOFTUADZTAO-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569847213 447906182 /nfs/dbraw/zinc/90/61/82/447906182.db2.gz JIHJOFTUADZTAO-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP OC[C@H]1CCCN(c2cc(NCC3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000575980512 447941740 /nfs/dbraw/zinc/94/17/40/447941740.db2.gz BDDRJPWJXVLSPY-INIZCTEOSA-N 2 2 345.491 1.972 20 0 EDADLP OC[C@H]1CCCN(c2cc(NCC3CC[NH+](C4CC4)CC3)[nH+]cn2)C1 ZINC000575980512 447941749 /nfs/dbraw/zinc/94/17/49/447941749.db2.gz BDDRJPWJXVLSPY-INIZCTEOSA-N 2 2 345.491 1.972 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000569912406 447915994 /nfs/dbraw/zinc/91/59/94/447915994.db2.gz NXPHBGGDGCZDFI-SFYZZRBRSA-N 2 2 343.475 1.425 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000570330173 447988054 /nfs/dbraw/zinc/98/80/54/447988054.db2.gz MMGVGVARNSMFNU-AWEZNQCLSA-N 2 2 344.463 1.798 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000576169584 447990542 /nfs/dbraw/zinc/99/05/42/447990542.db2.gz LKQSMCXCGWIMSF-GVDBMIGSSA-N 2 2 342.867 1.387 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000576169584 447990549 /nfs/dbraw/zinc/99/05/49/447990549.db2.gz LKQSMCXCGWIMSF-GVDBMIGSSA-N 2 2 342.867 1.387 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000576169584 447990557 /nfs/dbraw/zinc/99/05/57/447990557.db2.gz LKQSMCXCGWIMSF-GVDBMIGSSA-N 2 2 342.867 1.387 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000576169584 447990564 /nfs/dbraw/zinc/99/05/64/447990564.db2.gz LKQSMCXCGWIMSF-GVDBMIGSSA-N 2 2 342.867 1.387 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000497300001 448052447 /nfs/dbraw/zinc/05/24/47/448052447.db2.gz UJRIYBJKDIXYIC-ARFHVFGLSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000497300001 448052451 /nfs/dbraw/zinc/05/24/51/448052451.db2.gz UJRIYBJKDIXYIC-ARFHVFGLSA-N 2 2 341.496 1.869 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000576566477 448083351 /nfs/dbraw/zinc/08/33/51/448083351.db2.gz RRPWOXDOCHSUKV-BRWVUGGUSA-N 2 2 337.489 1.493 20 0 EDADLP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571433073 448154203 /nfs/dbraw/zinc/15/42/03/448154203.db2.gz PQQQIXWBUCPXOZ-SZOQZIPDSA-N 2 2 338.496 1.028 20 0 EDADLP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571433073 448154207 /nfs/dbraw/zinc/15/42/07/448154207.db2.gz PQQQIXWBUCPXOZ-SZOQZIPDSA-N 2 2 338.496 1.028 20 0 EDADLP CN(C[C@@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1)C(=O)OC(C)(C)C ZINC000497048689 448156404 /nfs/dbraw/zinc/15/64/04/448156404.db2.gz ZJIITKFQPGUAIG-HNNXBMFYSA-N 2 2 348.447 1.694 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccncc1OC[C@H]1CCOC1)C1CC1 ZINC000571159432 448113362 /nfs/dbraw/zinc/11/33/62/448113362.db2.gz LLWMRIHXEOIITL-WMLDXEAASA-N 2 2 335.448 1.042 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000526974841 448128909 /nfs/dbraw/zinc/12/89/09/448128909.db2.gz TYTBBIQVVPKSIO-HOTGVXAUSA-N 2 2 348.495 1.528 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000526974841 448128915 /nfs/dbraw/zinc/12/89/15/448128915.db2.gz TYTBBIQVVPKSIO-HOTGVXAUSA-N 2 2 348.495 1.528 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000556958390 448173968 /nfs/dbraw/zinc/17/39/68/448173968.db2.gz JFFNZHDBARSRDX-QGZVFWFLSA-N 2 2 335.492 1.718 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576954028 448179919 /nfs/dbraw/zinc/17/99/19/448179919.db2.gz FYGMYFYYFHKTDB-KBPBESRZSA-N 2 2 341.415 1.946 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000557113528 448181478 /nfs/dbraw/zinc/18/14/78/448181478.db2.gz NDZDISRPZYSBGQ-HDICACEKSA-N 2 2 339.443 1.967 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000577084404 448208912 /nfs/dbraw/zinc/20/89/12/448208912.db2.gz AKQNSAYBBDPGQL-MRXNPFEDSA-N 2 2 348.495 1.006 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884764 448163635 /nfs/dbraw/zinc/16/36/35/448163635.db2.gz LIGXNWCPVYZHSH-MISYRCLQSA-N 2 2 347.503 1.875 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884764 448163637 /nfs/dbraw/zinc/16/36/37/448163637.db2.gz LIGXNWCPVYZHSH-MISYRCLQSA-N 2 2 347.503 1.875 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898956 448166561 /nfs/dbraw/zinc/16/65/61/448166561.db2.gz UOCURUMSUWSXOE-MAUKXSAKSA-N 2 2 347.463 1.199 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898956 448166564 /nfs/dbraw/zinc/16/65/64/448166564.db2.gz UOCURUMSUWSXOE-MAUKXSAKSA-N 2 2 347.463 1.199 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898956 448166568 /nfs/dbraw/zinc/16/65/68/448166568.db2.gz UOCURUMSUWSXOE-MAUKXSAKSA-N 2 2 347.463 1.199 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898956 448166573 /nfs/dbraw/zinc/16/65/73/448166573.db2.gz UOCURUMSUWSXOE-MAUKXSAKSA-N 2 2 347.463 1.199 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000514933852 448227641 /nfs/dbraw/zinc/22/76/41/448227641.db2.gz ATLASFPBVSWTSD-MRXNPFEDSA-N 2 2 349.475 1.402 20 0 EDADLP Cc1[nH]c2ccccc2c1CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582409679 448228170 /nfs/dbraw/zinc/22/81/70/448228170.db2.gz ITGSRZRHAJMTIC-CQSZACIVSA-N 2 2 329.448 1.303 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000577216770 448239220 /nfs/dbraw/zinc/23/92/20/448239220.db2.gz XPGMLGIWKKAHNJ-LHDHZVESSA-N 2 2 348.487 1.966 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000577216770 448239225 /nfs/dbraw/zinc/23/92/25/448239225.db2.gz XPGMLGIWKKAHNJ-LHDHZVESSA-N 2 2 348.487 1.966 20 0 EDADLP c1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc(N2CCSCC2)[nH+]1 ZINC000571988601 448254464 /nfs/dbraw/zinc/25/44/64/448254464.db2.gz RIRCLLNBIGQANT-OKILXGFUSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc(N2CCSCC2)[nH+]1 ZINC000571988601 448254471 /nfs/dbraw/zinc/25/44/71/448254471.db2.gz RIRCLLNBIGQANT-OKILXGFUSA-N 2 2 335.477 1.305 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082908 448256337 /nfs/dbraw/zinc/25/63/37/448256337.db2.gz KXKBTAAPOFAVKB-BBRMVZONSA-N 2 2 341.415 1.646 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082908 448256339 /nfs/dbraw/zinc/25/63/39/448256339.db2.gz KXKBTAAPOFAVKB-BBRMVZONSA-N 2 2 341.415 1.646 20 0 EDADLP CCCCNc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000577294919 448260635 /nfs/dbraw/zinc/26/06/35/448260635.db2.gz QTYLPJSWXQUWSJ-OAHLLOKOSA-N 2 2 348.495 1.962 20 0 EDADLP CCCCNc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH+]c(N)n1 ZINC000577294919 448260640 /nfs/dbraw/zinc/26/06/40/448260640.db2.gz QTYLPJSWXQUWSJ-OAHLLOKOSA-N 2 2 348.495 1.962 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C2CCC3(CCCO3)CC2)C1=O ZINC000577319082 448262997 /nfs/dbraw/zinc/26/29/97/448262997.db2.gz CFMLDIVLFRDCAQ-WUJZJPHMSA-N 2 2 346.475 1.993 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000572230207 448320386 /nfs/dbraw/zinc/32/03/86/448320386.db2.gz VDUQHWHNKSEPBZ-HOTGVXAUSA-N 2 2 345.422 1.939 20 0 EDADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1Br ZINC000577388981 448284967 /nfs/dbraw/zinc/28/49/67/448284967.db2.gz PASHJKOKZUSAQZ-JSGCOSHPSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1Br ZINC000577388981 448284970 /nfs/dbraw/zinc/28/49/70/448284970.db2.gz PASHJKOKZUSAQZ-JSGCOSHPSA-N 2 2 338.249 1.501 20 0 EDADLP CC(C)NC(=O)NCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000515285956 448285024 /nfs/dbraw/zinc/28/50/24/448285024.db2.gz RGZYHNQEPSTZOI-UHFFFAOYSA-N 2 2 339.528 1.184 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000572136665 448299050 /nfs/dbraw/zinc/29/90/50/448299050.db2.gz AXEKFNZXZBFMCV-SJORKVTESA-N 2 2 326.400 1.944 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000572322511 448344830 /nfs/dbraw/zinc/34/48/30/448344830.db2.gz KOBWGAHNQSZAMU-GJZGRUSLSA-N 2 2 345.281 1.727 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000572322511 448344835 /nfs/dbraw/zinc/34/48/35/448344835.db2.gz KOBWGAHNQSZAMU-GJZGRUSLSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000572322511 448344837 /nfs/dbraw/zinc/34/48/37/448344837.db2.gz KOBWGAHNQSZAMU-GJZGRUSLSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000572322511 448344843 /nfs/dbraw/zinc/34/48/43/448344843.db2.gz KOBWGAHNQSZAMU-GJZGRUSLSA-N 2 2 345.281 1.727 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000591409575 448355065 /nfs/dbraw/zinc/35/50/65/448355065.db2.gz UCDMTKWMGFITPQ-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000591409575 448355070 /nfs/dbraw/zinc/35/50/70/448355070.db2.gz UCDMTKWMGFITPQ-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000591409575 448355072 /nfs/dbraw/zinc/35/50/72/448355072.db2.gz UCDMTKWMGFITPQ-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000572401045 448369895 /nfs/dbraw/zinc/36/98/95/448369895.db2.gz PUCMGWLSCARPJJ-NUJGCVRESA-N 2 2 348.491 1.793 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000577589383 448333994 /nfs/dbraw/zinc/33/39/94/448333994.db2.gz MHPGZZLRYQOAEE-HNNXBMFYSA-N 2 2 349.479 1.908 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000591583935 448396052 /nfs/dbraw/zinc/39/60/52/448396052.db2.gz INSVXZSNDKNPNE-YQQAZPJKSA-N 2 2 349.479 1.475 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC12CC2 ZINC000527851720 448374903 /nfs/dbraw/zinc/37/49/03/448374903.db2.gz ASGTZFIFYKNUBI-CVEARBPZSA-N 2 2 328.460 1.899 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOc2ccc(F)cc2F)C[C@@H](C)O1 ZINC000577947543 448422610 /nfs/dbraw/zinc/42/26/10/448422610.db2.gz KOLTXUUVWGWZAK-UMVBOHGHSA-N 2 2 344.402 1.403 20 0 EDADLP COc1ccc(C)cc1CC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577947916 448423450 /nfs/dbraw/zinc/42/34/50/448423450.db2.gz HCGZYZXDVXRXGH-JZXOWHBKSA-N 2 2 336.476 1.606 20 0 EDADLP COc1ccc(C)cc1CC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577947916 448423453 /nfs/dbraw/zinc/42/34/53/448423453.db2.gz HCGZYZXDVXRXGH-JZXOWHBKSA-N 2 2 336.476 1.606 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000528129592 448438718 /nfs/dbraw/zinc/43/87/18/448438718.db2.gz IMUBEFHWHZLMRL-KRWDZBQOSA-N 2 2 333.436 1.079 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(NC2CC2)[nH+]cn1 ZINC000528129592 448438720 /nfs/dbraw/zinc/43/87/20/448438720.db2.gz IMUBEFHWHZLMRL-KRWDZBQOSA-N 2 2 333.436 1.079 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)C2 ZINC000516567158 448440146 /nfs/dbraw/zinc/44/01/46/448440146.db2.gz UNPRQPABKCNUBA-CQSZACIVSA-N 2 2 347.507 1.295 20 0 EDADLP Cc1c[nH+]cn1CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000528137001 448442150 /nfs/dbraw/zinc/44/21/50/448442150.db2.gz YDFTVEKNMFQZGI-INIZCTEOSA-N 2 2 341.415 1.280 20 0 EDADLP Cc1c[nH+]cn1CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000528137001 448442156 /nfs/dbraw/zinc/44/21/56/448442156.db2.gz YDFTVEKNMFQZGI-INIZCTEOSA-N 2 2 341.415 1.280 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)ccn12 ZINC000584301193 448478868 /nfs/dbraw/zinc/47/88/68/448478868.db2.gz MZUVEFJIAPDECB-UHFFFAOYSA-N 2 2 338.415 2.358 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000572853045 448481137 /nfs/dbraw/zinc/48/11/37/448481137.db2.gz WAXXIQPZDFSNSR-HNNXBMFYSA-N 2 2 340.468 1.312 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000572853045 448481147 /nfs/dbraw/zinc/48/11/47/448481147.db2.gz WAXXIQPZDFSNSR-HNNXBMFYSA-N 2 2 340.468 1.312 20 0 EDADLP OC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000516859497 448483098 /nfs/dbraw/zinc/48/30/98/448483098.db2.gz VNJZOUFBNLBUMP-PMACEKPBSA-N 2 2 326.440 1.729 20 0 EDADLP OC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000516859497 448483101 /nfs/dbraw/zinc/48/31/01/448483101.db2.gz VNJZOUFBNLBUMP-PMACEKPBSA-N 2 2 326.440 1.729 20 0 EDADLP Cc1[nH]c2ccc(CN3C(=O)N[C@]4(CCCC[C@H]4C[NH3+])C3=O)cc2[nH+]1 ZINC000516865704 448485444 /nfs/dbraw/zinc/48/54/44/448485444.db2.gz UFLMUTQAELQTPB-UGSOOPFHSA-N 2 2 341.415 1.811 20 0 EDADLP Cc1[nH]c2cc(CN3C(=O)N[C@]4(CCCC[C@H]4C[NH3+])C3=O)ccc2[nH+]1 ZINC000516865704 448485446 /nfs/dbraw/zinc/48/54/46/448485446.db2.gz UFLMUTQAELQTPB-UGSOOPFHSA-N 2 2 341.415 1.811 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000572967339 448510612 /nfs/dbraw/zinc/51/06/12/448510612.db2.gz ZJVWMLNHPUVVBK-INIZCTEOSA-N 2 2 333.476 1.434 20 0 EDADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)C1 ZINC000584403690 448512854 /nfs/dbraw/zinc/51/28/54/448512854.db2.gz YEPIGBYCEGNJTP-JONQDZQNSA-N 2 2 331.464 1.570 20 0 EDADLP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)C1 ZINC000584403690 448512861 /nfs/dbraw/zinc/51/28/61/448512861.db2.gz YEPIGBYCEGNJTP-JONQDZQNSA-N 2 2 331.464 1.570 20 0 EDADLP C[C@H]1CN(c2nc(N)c3ccccc3[nH+]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536536817 448527032 /nfs/dbraw/zinc/52/70/32/448527032.db2.gz DERNYOQZEYLCFZ-YOEHRIQHSA-N 2 2 340.475 1.674 20 0 EDADLP C[C@H](OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000578358651 448527925 /nfs/dbraw/zinc/52/79/25/448527925.db2.gz HAZVWHNZBCHWGE-APHBMKBZSA-N 2 2 330.856 1.291 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000517140097 448542608 /nfs/dbraw/zinc/54/26/08/448542608.db2.gz CPXHXCYJWFXXDR-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000517140097 448542616 /nfs/dbraw/zinc/54/26/16/448542616.db2.gz CPXHXCYJWFXXDR-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000517140097 448542622 /nfs/dbraw/zinc/54/26/22/448542622.db2.gz CPXHXCYJWFXXDR-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000517140097 448542629 /nfs/dbraw/zinc/54/26/29/448542629.db2.gz CPXHXCYJWFXXDR-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000578445668 448548460 /nfs/dbraw/zinc/54/84/60/448548460.db2.gz NHHATWGRKJRETM-JZXOWHBKSA-N 3 2 341.459 1.045 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000528669560 448623520 /nfs/dbraw/zinc/62/35/20/448623520.db2.gz TWEYZJQSPMXAQF-GFCCVEGCSA-N 2 2 339.465 1.239 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000566922544 448586678 /nfs/dbraw/zinc/58/66/78/448586678.db2.gz PCDLPAIFQQBEDW-LBPRGKRZSA-N 2 2 333.461 1.497 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cs1 ZINC000566922544 448586682 /nfs/dbraw/zinc/58/66/82/448586682.db2.gz PCDLPAIFQQBEDW-LBPRGKRZSA-N 2 2 333.461 1.497 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C ZINC000518071327 448642618 /nfs/dbraw/zinc/64/26/18/448642618.db2.gz OJYDIEWNKXDONA-SJORKVTESA-N 2 2 328.460 1.818 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C ZINC000518071327 448642624 /nfs/dbraw/zinc/64/26/24/448642624.db2.gz OJYDIEWNKXDONA-SJORKVTESA-N 2 2 328.460 1.818 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(C(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000518343078 448665894 /nfs/dbraw/zinc/66/58/94/448665894.db2.gz ABFLEZFEZKUCSM-QGZVFWFLSA-N 2 2 332.492 1.811 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccc(C(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000518343078 448665897 /nfs/dbraw/zinc/66/58/97/448665897.db2.gz ABFLEZFEZKUCSM-QGZVFWFLSA-N 2 2 332.492 1.811 20 0 EDADLP C[C@@](O)(C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000573444823 448629318 /nfs/dbraw/zinc/62/93/18/448629318.db2.gz GPTBJEIYPLEFPG-HUUCEWRRSA-N 2 2 332.366 1.309 20 0 EDADLP C[C@@](O)(C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000573444823 448629320 /nfs/dbraw/zinc/62/93/20/448629320.db2.gz GPTBJEIYPLEFPG-HUUCEWRRSA-N 2 2 332.366 1.309 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000573455353 448632919 /nfs/dbraw/zinc/63/29/19/448632919.db2.gz MFBVWSDQCKCQBP-HOCLYGCPSA-N 2 2 325.478 1.260 20 0 EDADLP Cc1cnc(CC[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000518518916 448687383 /nfs/dbraw/zinc/68/73/83/448687383.db2.gz IOBBZFAYZIWQSE-LJQANCHMSA-N 2 2 326.444 1.336 20 0 EDADLP Cc1cnc(CC[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000518518916 448687386 /nfs/dbraw/zinc/68/73/86/448687386.db2.gz IOBBZFAYZIWQSE-LJQANCHMSA-N 2 2 326.444 1.336 20 0 EDADLP COCCOC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000518758062 448705264 /nfs/dbraw/zinc/70/52/64/448705264.db2.gz QCILCSFGTYZWST-UONOGXRCSA-N 2 2 325.453 1.109 20 0 EDADLP CC1CC[NH+](Cc2csc(NC(=O)CCOC3C[NH2+]C3)n2)CC1 ZINC000518972141 448727226 /nfs/dbraw/zinc/72/72/26/448727226.db2.gz NXXVKUDTFPIIIS-UHFFFAOYSA-N 2 2 338.477 1.692 20 0 EDADLP COC1CC[NH+](C(C)(C)C[NH2+]CCC(=O)Nc2cc(C)on2)CC1 ZINC000567691072 448738500 /nfs/dbraw/zinc/73/85/00/448738500.db2.gz ONYVTEUFOKOZKR-UHFFFAOYSA-N 2 2 338.452 1.791 20 0 EDADLP COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579216003 448741734 /nfs/dbraw/zinc/74/17/34/448741734.db2.gz ZISIOTFREWCEKC-HOTGVXAUSA-N 2 2 346.475 1.399 20 0 EDADLP COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579216003 448741738 /nfs/dbraw/zinc/74/17/38/448741738.db2.gz ZISIOTFREWCEKC-HOTGVXAUSA-N 2 2 346.475 1.399 20 0 EDADLP Cn1c[nH+]cc1CCCN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000519177141 448750059 /nfs/dbraw/zinc/75/00/59/448750059.db2.gz VGGFDWXMTBTYQJ-UHFFFAOYSA-N 3 2 330.480 1.337 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000568057407 448809929 /nfs/dbraw/zinc/80/99/29/448809929.db2.gz NPUBPOZAPOUXPS-CQSZACIVSA-N 2 2 331.420 1.104 20 0 EDADLP C[C@@H]1CN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn2)CCO1 ZINC000519698132 448821886 /nfs/dbraw/zinc/82/18/86/448821886.db2.gz KASGJXROCIZSCU-LJHODMEESA-N 2 2 346.475 1.163 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000568169011 448827837 /nfs/dbraw/zinc/82/78/37/448827837.db2.gz YQZQJGFLKUVABS-ZIAGYGMSSA-N 2 2 338.414 1.980 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000568169011 448827839 /nfs/dbraw/zinc/82/78/39/448827839.db2.gz YQZQJGFLKUVABS-ZIAGYGMSSA-N 2 2 338.414 1.980 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000568169011 448827841 /nfs/dbraw/zinc/82/78/41/448827841.db2.gz YQZQJGFLKUVABS-ZIAGYGMSSA-N 2 2 338.414 1.980 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000568169011 448827842 /nfs/dbraw/zinc/82/78/42/448827842.db2.gz YQZQJGFLKUVABS-ZIAGYGMSSA-N 2 2 338.414 1.980 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000574267358 448830937 /nfs/dbraw/zinc/83/09/37/448830937.db2.gz FZHPNDPPAUXUSE-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000574267358 448830942 /nfs/dbraw/zinc/83/09/42/448830942.db2.gz FZHPNDPPAUXUSE-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000529384832 448852032 /nfs/dbraw/zinc/85/20/32/448852032.db2.gz JEGDZTFDBWIVOW-CABCVRRESA-N 2 2 347.463 1.097 20 0 EDADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529389147 448854259 /nfs/dbraw/zinc/85/42/59/448854259.db2.gz SZOBRTAJOKMTSR-HZPDHXFCSA-N 2 2 339.867 1.343 20 0 EDADLP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000529389147 448854263 /nfs/dbraw/zinc/85/42/63/448854263.db2.gz SZOBRTAJOKMTSR-HZPDHXFCSA-N 2 2 339.867 1.343 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)NCC1([NH+]2CCOCC2)CC1 ZINC000574409187 448867875 /nfs/dbraw/zinc/86/78/75/448867875.db2.gz JDUGKCNOXXAHPZ-INIZCTEOSA-N 2 2 336.480 1.167 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)NCC1([NH+]2CCOCC2)CC1 ZINC000574409187 448867877 /nfs/dbraw/zinc/86/78/77/448867877.db2.gz JDUGKCNOXXAHPZ-INIZCTEOSA-N 2 2 336.480 1.167 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000592489673 448859541 /nfs/dbraw/zinc/85/95/41/448859541.db2.gz ZKFGTQGWKLQBSD-IUODEOHRSA-N 2 2 334.420 1.403 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000592489673 448859544 /nfs/dbraw/zinc/85/95/44/448859544.db2.gz ZKFGTQGWKLQBSD-IUODEOHRSA-N 2 2 334.420 1.403 20 0 EDADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000574384696 448859683 /nfs/dbraw/zinc/85/96/83/448859683.db2.gz YQTFICHUFHGVJD-IUODEOHRSA-N 2 2 326.391 1.700 20 0 EDADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000574384696 448859687 /nfs/dbraw/zinc/85/96/87/448859687.db2.gz YQTFICHUFHGVJD-IUODEOHRSA-N 2 2 326.391 1.700 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC[C@H]1[NH3+] ZINC000592489203 448859891 /nfs/dbraw/zinc/85/98/91/448859891.db2.gz SSEQRZJSQIBAEH-NUEKZKHPSA-N 2 2 332.448 1.460 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC[C@H]1[NH3+] ZINC000592489203 448859893 /nfs/dbraw/zinc/85/98/93/448859893.db2.gz SSEQRZJSQIBAEH-NUEKZKHPSA-N 2 2 332.448 1.460 20 0 EDADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568749945 448913595 /nfs/dbraw/zinc/91/35/95/448913595.db2.gz OQUGUKDRVUJORP-CRAIPNDOSA-N 2 2 334.464 2.556 20 0 EDADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568749945 448913598 /nfs/dbraw/zinc/91/35/98/448913598.db2.gz OQUGUKDRVUJORP-CRAIPNDOSA-N 2 2 334.464 2.556 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2)N1CC[NH+](C)CC1 ZINC000520624822 448917787 /nfs/dbraw/zinc/91/77/87/448917787.db2.gz NWUULQXJDUXYOT-PBHICJAKSA-N 2 2 345.491 1.588 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCC(=O)c2cccs2)C1 ZINC000520833065 448936243 /nfs/dbraw/zinc/93/62/43/448936243.db2.gz HKOABKXKRWCUIQ-LBPRGKRZSA-N 2 2 332.429 1.270 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCC(=O)c2cccs2)C1 ZINC000520833065 448936247 /nfs/dbraw/zinc/93/62/47/448936247.db2.gz HKOABKXKRWCUIQ-LBPRGKRZSA-N 2 2 332.429 1.270 20 0 EDADLP Cc1[nH+]c2c(n1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CCCC2 ZINC000569120888 448967489 /nfs/dbraw/zinc/96/74/89/448967489.db2.gz VFBNYNAZYPPBCV-MRXNPFEDSA-N 2 2 348.491 1.543 20 0 EDADLP Cc1[nH+]c2c(n1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CCCC2 ZINC000569120888 448967493 /nfs/dbraw/zinc/96/74/93/448967493.db2.gz VFBNYNAZYPPBCV-MRXNPFEDSA-N 2 2 348.491 1.543 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(COCC3CC3)c2)[C@H](C[NH3+])C1 ZINC000521358359 448972996 /nfs/dbraw/zinc/97/29/96/448972996.db2.gz JRRDYANLHFIPDZ-QGZVFWFLSA-N 2 2 332.448 1.720 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(COCC3CC3)c2)[C@H](C[NH3+])C1 ZINC000521358359 448973002 /nfs/dbraw/zinc/97/30/02/448973002.db2.gz JRRDYANLHFIPDZ-QGZVFWFLSA-N 2 2 332.448 1.720 20 0 EDADLP COC(=O)C(C)(C)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000589258992 448999180 /nfs/dbraw/zinc/99/91/80/448999180.db2.gz HZCVFGSHPBSQCD-IRXDYDNUSA-N 2 2 334.460 1.972 20 0 EDADLP COC(=O)C(C)(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000589258992 448999182 /nfs/dbraw/zinc/99/91/82/448999182.db2.gz HZCVFGSHPBSQCD-IRXDYDNUSA-N 2 2 334.460 1.972 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000575011862 449014295 /nfs/dbraw/zinc/01/42/95/449014295.db2.gz QTTIEXCNFYKTCR-WBVHZDCISA-N 2 2 332.448 1.230 20 0 EDADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ncccc3O)CC2)C[C@H](C)O1 ZINC000575028286 449017241 /nfs/dbraw/zinc/01/72/41/449017241.db2.gz ZYRMNRISRWKZGE-HOTGVXAUSA-N 2 2 349.475 1.877 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000575095605 449033855 /nfs/dbraw/zinc/03/38/55/449033855.db2.gz YAZNOULOEFQRQU-UHFFFAOYSA-N 2 2 343.431 1.199 20 0 EDADLP FC1(F)Oc2cccc(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)c2O1 ZINC000530219104 449084720 /nfs/dbraw/zinc/08/47/20/449084720.db2.gz ZCYXDZAFABWHEX-CABCVRRESA-N 2 2 340.370 1.907 20 0 EDADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000590183942 449114782 /nfs/dbraw/zinc/11/47/82/449114782.db2.gz HNXLRRBRDQJJRF-JKSUJKDBSA-N 2 2 339.480 1.252 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597994617 449179547 /nfs/dbraw/zinc/17/95/47/449179547.db2.gz CHXPZKPZRIJQQD-CABCVRRESA-N 2 2 331.526 1.287 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597994617 449179553 /nfs/dbraw/zinc/17/95/53/449179553.db2.gz CHXPZKPZRIJQQD-CABCVRRESA-N 2 2 331.526 1.287 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3Cc4ccccc43)C2)CC1 ZINC000604180998 449187333 /nfs/dbraw/zinc/18/73/33/449187333.db2.gz WYLPTZMJIOZQGR-IAGOWNOFSA-N 2 2 342.487 1.794 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3Cc4ccccc43)C2)CC1 ZINC000604180998 449187335 /nfs/dbraw/zinc/18/73/35/449187335.db2.gz WYLPTZMJIOZQGR-IAGOWNOFSA-N 2 2 342.487 1.794 20 0 EDADLP Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000604177506 449187654 /nfs/dbraw/zinc/18/76/54/449187654.db2.gz GYUMSVPKSCOQJR-INIZCTEOSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000604177506 449187660 /nfs/dbraw/zinc/18/76/60/449187660.db2.gz GYUMSVPKSCOQJR-INIZCTEOSA-N 2 2 331.464 1.358 20 0 EDADLP CCOC(=O)c1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)n1 ZINC000600175336 449227985 /nfs/dbraw/zinc/22/79/85/449227985.db2.gz WCNREDBRHBHFLW-MRXNPFEDSA-N 2 2 335.448 1.801 20 0 EDADLP CCOC(=O)c1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)n1 ZINC000600175336 449227986 /nfs/dbraw/zinc/22/79/86/449227986.db2.gz WCNREDBRHBHFLW-MRXNPFEDSA-N 2 2 335.448 1.801 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604389921 449223995 /nfs/dbraw/zinc/22/39/95/449223995.db2.gz ZBDIRGXFMAEZSR-HKUYNNGSSA-N 2 2 344.503 1.750 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389921 449223999 /nfs/dbraw/zinc/22/39/99/449223999.db2.gz ZBDIRGXFMAEZSR-HKUYNNGSSA-N 2 2 344.503 1.750 20 0 EDADLP CCOC(=O)Cn1ccc2cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc21 ZINC000593904581 449275606 /nfs/dbraw/zinc/27/56/06/449275606.db2.gz ZWRGMBNMPJSUNE-HNNXBMFYSA-N 2 2 346.431 1.422 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000600500613 449413818 /nfs/dbraw/zinc/41/38/18/449413818.db2.gz PMQVODMPHYWUSE-INIZCTEOSA-N 2 2 333.480 1.422 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000617009449 449425621 /nfs/dbraw/zinc/42/56/21/449425621.db2.gz ZIKBCKHBQRVQLH-OAGGEKHMSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000617009449 449425627 /nfs/dbraw/zinc/42/56/27/449425627.db2.gz ZIKBCKHBQRVQLH-OAGGEKHMSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCO[C@H](CC)C1 ZINC000617009449 449425632 /nfs/dbraw/zinc/42/56/32/449425632.db2.gz ZIKBCKHBQRVQLH-OAGGEKHMSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCO[C@H](CC)C1 ZINC000617009449 449425638 /nfs/dbraw/zinc/42/56/38/449425638.db2.gz ZIKBCKHBQRVQLH-OAGGEKHMSA-N 2 2 325.497 1.865 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3Cc4ccccc4S3)C2)CC1 ZINC000602199922 449428859 /nfs/dbraw/zinc/42/88/59/449428859.db2.gz BPHWYOJZHKDQTF-MAUKXSAKSA-N 2 2 345.512 1.988 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3Cc4ccccc4S3)C2)CC1 ZINC000602199922 449428866 /nfs/dbraw/zinc/42/88/66/449428866.db2.gz BPHWYOJZHKDQTF-MAUKXSAKSA-N 2 2 345.512 1.988 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc4c[nH]nc43)C2)CC1 ZINC000602201876 449429116 /nfs/dbraw/zinc/42/91/16/449429116.db2.gz OKPBDMYCAZQODK-AWEZNQCLSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc4c[nH]nc43)C2)CC1 ZINC000602201876 449429124 /nfs/dbraw/zinc/42/91/24/449429124.db2.gz OKPBDMYCAZQODK-AWEZNQCLSA-N 2 2 327.432 1.461 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000606583806 449489261 /nfs/dbraw/zinc/48/92/61/449489261.db2.gz OGQPIYSAAXSWIC-OAHLLOKOSA-N 2 2 329.404 1.663 20 0 EDADLP COC(=O)c1csc([C@@H](C)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC000600715023 449513151 /nfs/dbraw/zinc/51/31/51/449513151.db2.gz XCVSWXRVXMOAFT-MFKMUULPSA-N 2 2 335.433 1.511 20 0 EDADLP COC(=O)c1[nH]c(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1C ZINC000602461560 449608500 /nfs/dbraw/zinc/60/85/00/449608500.db2.gz HTAJMYNFHLWYMW-UHFFFAOYSA-N 2 2 344.415 1.836 20 0 EDADLP CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000600975990 449629366 /nfs/dbraw/zinc/62/93/66/449629366.db2.gz MXDZAFWUPVBKAH-HNNXBMFYSA-N 2 2 349.479 1.584 20 0 EDADLP COC(=O)c1[nH]c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000602480672 449624093 /nfs/dbraw/zinc/62/40/93/449624093.db2.gz IIHKYRMNDUELQW-WBVHZDCISA-N 2 2 348.491 1.568 20 0 EDADLP COC(=O)c1[nH]c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000602480672 449624095 /nfs/dbraw/zinc/62/40/95/449624095.db2.gz IIHKYRMNDUELQW-WBVHZDCISA-N 2 2 348.491 1.568 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000607904007 449663256 /nfs/dbraw/zinc/66/32/56/449663256.db2.gz DZKSAMWCSLDMIT-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000607904007 449663261 /nfs/dbraw/zinc/66/32/61/449663261.db2.gz DZKSAMWCSLDMIT-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000601029620 449663560 /nfs/dbraw/zinc/66/35/60/449663560.db2.gz HPTDIRUCFSEWOD-IXDOHACOSA-N 2 2 347.507 1.809 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000601029620 449663565 /nfs/dbraw/zinc/66/35/65/449663565.db2.gz HPTDIRUCFSEWOD-IXDOHACOSA-N 2 2 347.507 1.809 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2c1 ZINC000602591102 449690611 /nfs/dbraw/zinc/69/06/11/449690611.db2.gz KRPSCRLMIOMJTE-OKILXGFUSA-N 2 2 330.457 1.839 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617699547 449744749 /nfs/dbraw/zinc/74/47/49/449744749.db2.gz OLQRXBGOZYWYGG-QGZVFWFLSA-N 2 2 328.416 1.156 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617699547 449744753 /nfs/dbraw/zinc/74/47/53/449744753.db2.gz OLQRXBGOZYWYGG-QGZVFWFLSA-N 2 2 328.416 1.156 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000601269723 449788844 /nfs/dbraw/zinc/78/88/44/449788844.db2.gz CFWUGIXQGGMPNZ-AWEZNQCLSA-N 2 2 337.493 1.373 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000601269723 449788850 /nfs/dbraw/zinc/78/88/50/449788850.db2.gz CFWUGIXQGGMPNZ-AWEZNQCLSA-N 2 2 337.493 1.373 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3ccc(F)cc3Cl)CCN2C1=O ZINC000594875160 449789257 /nfs/dbraw/zinc/78/92/57/449789257.db2.gz ZDYACGGTHOVVGR-YPMHNXCESA-N 2 2 327.787 1.102 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)CCN2C1=O ZINC000594875160 449789261 /nfs/dbraw/zinc/78/92/61/449789261.db2.gz ZDYACGGTHOVVGR-YPMHNXCESA-N 2 2 327.787 1.102 20 0 EDADLP CC(C)(C)OC(=O)COCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000601292990 449803500 /nfs/dbraw/zinc/80/35/00/449803500.db2.gz ADGSIWNJZOTFHW-UHFFFAOYSA-N 2 2 349.475 1.994 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC[C@@H](C)[NH+](C)C)CC2 ZINC000617755070 449817594 /nfs/dbraw/zinc/81/75/94/449817594.db2.gz HJYWPNBQOGXSMB-CQSZACIVSA-N 2 2 349.475 1.518 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC[C@@H](C)[NH+](C)C)CC2 ZINC000617755070 449817598 /nfs/dbraw/zinc/81/75/98/449817598.db2.gz HJYWPNBQOGXSMB-CQSZACIVSA-N 2 2 349.475 1.518 20 0 EDADLP CN(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000617763156 449822870 /nfs/dbraw/zinc/82/28/70/449822870.db2.gz HJUCDYDMICSPNJ-UHFFFAOYSA-N 2 2 341.887 1.171 20 0 EDADLP CN(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cn1 ZINC000617763156 449822875 /nfs/dbraw/zinc/82/28/75/449822875.db2.gz HJUCDYDMICSPNJ-UHFFFAOYSA-N 2 2 341.887 1.171 20 0 EDADLP CCc1nc2ccccc2n1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764794 449824829 /nfs/dbraw/zinc/82/48/29/449824829.db2.gz GYBZGXFWARWQLV-UHFFFAOYSA-N 2 2 345.491 1.598 20 0 EDADLP CCc1nc2ccccc2n1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764794 449824835 /nfs/dbraw/zinc/82/48/35/449824835.db2.gz GYBZGXFWARWQLV-UHFFFAOYSA-N 2 2 345.491 1.598 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nnc(C(C)(C)C)s1 ZINC000617764425 449824999 /nfs/dbraw/zinc/82/49/99/449824999.db2.gz WWHGDJZTAGQZSZ-UHFFFAOYSA-N 2 2 327.498 1.449 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nnc(C(C)(C)C)s1 ZINC000617764425 449825001 /nfs/dbraw/zinc/82/50/01/449825001.db2.gz WWHGDJZTAGQZSZ-UHFFFAOYSA-N 2 2 327.498 1.449 20 0 EDADLP Cc1nn(C(C)C)c(C)c1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763988 449825032 /nfs/dbraw/zinc/82/50/32/449825032.db2.gz DZKFPNRPWLPCBO-UHFFFAOYSA-N 2 2 337.512 1.623 20 0 EDADLP Cc1nn(C(C)C)c(C)c1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763988 449825038 /nfs/dbraw/zinc/82/50/38/449825038.db2.gz DZKFPNRPWLPCBO-UHFFFAOYSA-N 2 2 337.512 1.623 20 0 EDADLP C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765554 449826479 /nfs/dbraw/zinc/82/64/79/449826479.db2.gz GHYYYPXYSQSHIY-LPHOPBHVSA-N 2 2 335.492 1.541 20 0 EDADLP C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765554 449826484 /nfs/dbraw/zinc/82/64/84/449826484.db2.gz GHYYYPXYSQSHIY-LPHOPBHVSA-N 2 2 335.492 1.541 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1cnc2ccccc21 ZINC000617765431 449826524 /nfs/dbraw/zinc/82/65/24/449826524.db2.gz AFYVDQJDGHHJRR-HNNXBMFYSA-N 2 2 331.464 1.597 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1cnc2ccccc21 ZINC000617765431 449826530 /nfs/dbraw/zinc/82/65/30/449826530.db2.gz AFYVDQJDGHHJRR-HNNXBMFYSA-N 2 2 331.464 1.597 20 0 EDADLP C[C@@H](C(=O)NCC[NH+](C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000617766617 449828349 /nfs/dbraw/zinc/82/83/49/449828349.db2.gz RCEZGQOBGQLBHG-KRWDZBQOSA-N 3 2 346.519 1.433 20 0 EDADLP C[C@@H](C(=O)NCC[NH+](C)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000617766617 449828354 /nfs/dbraw/zinc/82/83/54/449828354.db2.gz RCEZGQOBGQLBHG-KRWDZBQOSA-N 3 2 346.519 1.433 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCc2ccccc2C1 ZINC000617766617 449828359 /nfs/dbraw/zinc/82/83/59/449828359.db2.gz RCEZGQOBGQLBHG-KRWDZBQOSA-N 3 2 346.519 1.433 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCc2ccccc2C1 ZINC000617766617 449828363 /nfs/dbraw/zinc/82/83/63/449828363.db2.gz RCEZGQOBGQLBHG-KRWDZBQOSA-N 3 2 346.519 1.433 20 0 EDADLP CC(=O)Nc1ccc(F)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617767020 449829578 /nfs/dbraw/zinc/82/95/78/449829578.db2.gz CSFLUOODNDUKTH-UHFFFAOYSA-N 2 2 338.427 1.397 20 0 EDADLP CC(=O)Nc1ccc(F)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617767020 449829581 /nfs/dbraw/zinc/82/95/81/449829581.db2.gz CSFLUOODNDUKTH-UHFFFAOYSA-N 2 2 338.427 1.397 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(-c2cnccn2)n1 ZINC000617766315 449829609 /nfs/dbraw/zinc/82/96/09/449829609.db2.gz GEXRQTJSSGKFLV-UHFFFAOYSA-N 2 2 348.476 1.213 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(-c2cnccn2)n1 ZINC000617766315 449829610 /nfs/dbraw/zinc/82/96/10/449829610.db2.gz GEXRQTJSSGKFLV-UHFFFAOYSA-N 2 2 348.476 1.213 20 0 EDADLP CC(C)Cc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cs1 ZINC000617767407 449831576 /nfs/dbraw/zinc/83/15/76/449831576.db2.gz TUJRBEASFRLRFV-UHFFFAOYSA-N 2 2 326.510 1.955 20 0 EDADLP CC(C)Cc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000617767407 449831581 /nfs/dbraw/zinc/83/15/81/449831581.db2.gz TUJRBEASFRLRFV-UHFFFAOYSA-N 2 2 326.510 1.955 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000617735031 449797903 /nfs/dbraw/zinc/79/79/03/449797903.db2.gz KQTUBMAAGALHKA-HUUCEWRRSA-N 2 2 337.464 1.960 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000617735031 449797905 /nfs/dbraw/zinc/79/79/05/449797905.db2.gz KQTUBMAAGALHKA-HUUCEWRRSA-N 2 2 337.464 1.960 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000599400132 449947167 /nfs/dbraw/zinc/94/71/67/449947167.db2.gz UJDKVSLMKPOSHQ-IAGOWNOFSA-N 2 2 344.459 1.559 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000599400132 449947170 /nfs/dbraw/zinc/94/71/70/449947170.db2.gz UJDKVSLMKPOSHQ-IAGOWNOFSA-N 2 2 344.459 1.559 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000599400132 449947173 /nfs/dbraw/zinc/94/71/73/449947173.db2.gz UJDKVSLMKPOSHQ-IAGOWNOFSA-N 2 2 344.459 1.559 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000599400132 449947175 /nfs/dbraw/zinc/94/71/75/449947175.db2.gz UJDKVSLMKPOSHQ-IAGOWNOFSA-N 2 2 344.459 1.559 20 0 EDADLP CC[C@H](C[C@@H](C)CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608686104 449909737 /nfs/dbraw/zinc/90/97/37/449909737.db2.gz JAPLNQRYCJQQIC-OAGGEKHMSA-N 2 2 340.512 1.251 20 0 EDADLP CC[C@H](C[C@@H](C)CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608686104 449909739 /nfs/dbraw/zinc/90/97/39/449909739.db2.gz JAPLNQRYCJQQIC-OAGGEKHMSA-N 2 2 340.512 1.251 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000612862146 449914951 /nfs/dbraw/zinc/91/49/51/449914951.db2.gz IBXXFHHHSMXXJL-IEBWSBKVSA-N 2 2 346.475 1.420 20 0 EDADLP Cc1ccc(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477101 450001290 /nfs/dbraw/zinc/00/12/90/450001290.db2.gz DMSXMQCFMUKMOE-GOSISDBHSA-N 2 2 343.471 1.805 20 0 EDADLP Cc1ccc(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477101 450001294 /nfs/dbraw/zinc/00/12/94/450001294.db2.gz DMSXMQCFMUKMOE-GOSISDBHSA-N 2 2 343.471 1.805 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)N(C)CC3C[NH+](C)C3)c2)cc[nH+]1 ZINC000618191939 450046808 /nfs/dbraw/zinc/04/68/08/450046808.db2.gz XWSNYIHJEQGSMW-UHFFFAOYSA-N 2 2 339.443 2.031 20 0 EDADLP COC(=O)[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC000599603919 450097564 /nfs/dbraw/zinc/09/75/64/450097564.db2.gz AWQUQMUGLASZKK-QAPCUYQASA-N 2 2 348.443 1.281 20 0 EDADLP COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC000599603919 450097570 /nfs/dbraw/zinc/09/75/70/450097570.db2.gz AWQUQMUGLASZKK-QAPCUYQASA-N 2 2 348.443 1.281 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@H]([NH+]3CCOCC3)C1)CC2 ZINC000615535739 450129820 /nfs/dbraw/zinc/12/98/20/450129820.db2.gz OWJJCFRWHOITNL-WBVHZDCISA-N 2 2 332.448 1.077 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000615547793 450138802 /nfs/dbraw/zinc/13/88/02/450138802.db2.gz RLZKENKAPFXITP-QZTJIDSGSA-N 2 2 331.460 1.613 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000618541182 450236432 /nfs/dbraw/zinc/23/64/32/450236432.db2.gz YAEMVLBJXPCEQC-INIZCTEOSA-N 2 2 332.448 1.080 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000618541182 450236436 /nfs/dbraw/zinc/23/64/36/450236436.db2.gz YAEMVLBJXPCEQC-INIZCTEOSA-N 2 2 332.448 1.080 20 0 EDADLP CSC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613861677 450341790 /nfs/dbraw/zinc/34/17/90/450341790.db2.gz YRIWVWUEWBLSCX-HIFRSBDPSA-N 2 2 328.526 1.548 20 0 EDADLP CSC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613861677 450341795 /nfs/dbraw/zinc/34/17/95/450341795.db2.gz YRIWVWUEWBLSCX-HIFRSBDPSA-N 2 2 328.526 1.548 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623264214 450469663 /nfs/dbraw/zinc/46/96/63/450469663.db2.gz IPFGQAJHYPFPAY-OAHLLOKOSA-N 2 2 325.416 1.544 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@H]3CCn4c[nH+]cc4C3)CC2)[nH+]c1 ZINC000623304153 450490240 /nfs/dbraw/zinc/49/02/40/450490240.db2.gz RPCNAXBCGCSDKO-INIZCTEOSA-N 2 2 339.443 1.934 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)Cn1cc[nH+]c1 ZINC000625751665 450495315 /nfs/dbraw/zinc/49/53/15/450495315.db2.gz LIPIAVJPLNAHSZ-RYQLBKOJSA-N 2 2 326.444 1.981 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)Cn1cc[nH+]c1 ZINC000625751665 450495320 /nfs/dbraw/zinc/49/53/20/450495320.db2.gz LIPIAVJPLNAHSZ-RYQLBKOJSA-N 2 2 326.444 1.981 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623353378 450504334 /nfs/dbraw/zinc/50/43/34/450504334.db2.gz JPZDZPKFSXWLOS-UHFFFAOYSA-N 2 2 346.454 1.522 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000620724223 450534024 /nfs/dbraw/zinc/53/40/24/450534024.db2.gz YCUWTOLOMFXKAD-IBGZPJMESA-N 2 2 344.503 1.261 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000620724223 450534025 /nfs/dbraw/zinc/53/40/25/450534025.db2.gz YCUWTOLOMFXKAD-IBGZPJMESA-N 2 2 344.503 1.261 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000623618468 450552554 /nfs/dbraw/zinc/55/25/54/450552554.db2.gz SIHIKUJVQWUINJ-HNNXBMFYSA-N 2 2 345.472 1.635 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000623618468 450552557 /nfs/dbraw/zinc/55/25/57/450552557.db2.gz SIHIKUJVQWUINJ-HNNXBMFYSA-N 2 2 345.472 1.635 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccc(F)cc1 ZINC000623630849 450555042 /nfs/dbraw/zinc/55/50/42/450555042.db2.gz YGEUUDLLZPSRPC-CVEARBPZSA-N 2 2 338.427 1.058 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)c1ccc(F)cc1 ZINC000623630849 450555043 /nfs/dbraw/zinc/55/50/43/450555043.db2.gz YGEUUDLLZPSRPC-CVEARBPZSA-N 2 2 338.427 1.058 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000623705354 450568526 /nfs/dbraw/zinc/56/85/26/450568526.db2.gz TWGZRITYXPCDFO-MRXNPFEDSA-N 2 2 343.431 1.465 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000623705354 450568529 /nfs/dbraw/zinc/56/85/29/450568529.db2.gz TWGZRITYXPCDFO-MRXNPFEDSA-N 2 2 343.431 1.465 20 0 EDADLP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000623816869 450600550 /nfs/dbraw/zinc/60/05/50/450600550.db2.gz RXJLADUPZHSOPV-DLBZAZTESA-N 2 2 343.431 1.857 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000633015362 450612001 /nfs/dbraw/zinc/61/20/01/450612001.db2.gz CYVMPDXEGLIPSQ-LSDHHAIUSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000633015362 450612007 /nfs/dbraw/zinc/61/20/07/450612007.db2.gz CYVMPDXEGLIPSQ-LSDHHAIUSA-N 2 2 337.468 1.688 20 0 EDADLP COc1cc(Br)c(C[NH2+]CC2([NH3+])CCOCC2)cc1O ZINC000629388507 450642446 /nfs/dbraw/zinc/64/24/46/450642446.db2.gz SNVOEKMZIICTHD-UHFFFAOYSA-N 2 2 345.237 1.761 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000635133266 450677482 /nfs/dbraw/zinc/67/74/82/450677482.db2.gz MTMVJHIWQFTLPN-UHFFFAOYSA-N 2 2 346.475 1.084 20 0 EDADLP CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635134971 450680243 /nfs/dbraw/zinc/68/02/43/450680243.db2.gz LXIYYSYWPGWRPQ-GOSISDBHSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635134971 450680249 /nfs/dbraw/zinc/68/02/49/450680249.db2.gz LXIYYSYWPGWRPQ-GOSISDBHSA-N 2 2 331.460 1.870 20 0 EDADLP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000635137458 450683387 /nfs/dbraw/zinc/68/33/87/450683387.db2.gz BAYRKDYDFZPVIU-QGZVFWFLSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000635137458 450683390 /nfs/dbraw/zinc/68/33/90/450683390.db2.gz BAYRKDYDFZPVIU-QGZVFWFLSA-N 2 2 331.460 1.345 20 0 EDADLP COc1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000631651042 450695070 /nfs/dbraw/zinc/69/50/70/450695070.db2.gz HWXDWIIHBFNQAJ-HOTGVXAUSA-N 2 2 347.459 1.838 20 0 EDADLP COc1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000631651042 450695074 /nfs/dbraw/zinc/69/50/74/450695074.db2.gz HWXDWIIHBFNQAJ-HOTGVXAUSA-N 2 2 347.459 1.838 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)n1cc[nH+]c1 ZINC000635148887 450695505 /nfs/dbraw/zinc/69/55/05/450695505.db2.gz JXELKOMVBUZJJQ-SFHVURJKSA-N 2 2 347.507 1.710 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000631672318 450705759 /nfs/dbraw/zinc/70/57/59/450705759.db2.gz HQOVGIJHQHTIQR-UHFFFAOYSA-N 2 2 331.507 1.147 20 0 EDADLP C[N@H+](CCOCC[NH3+])Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000629577469 450746061 /nfs/dbraw/zinc/74/60/61/450746061.db2.gz ADPAGKQXJVRGRG-UHFFFAOYSA-N 2 2 344.341 1.088 20 0 EDADLP C[N@@H+](CCOCC[NH3+])Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000629577469 450746065 /nfs/dbraw/zinc/74/60/65/450746065.db2.gz ADPAGKQXJVRGRG-UHFFFAOYSA-N 2 2 344.341 1.088 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000629581003 450748074 /nfs/dbraw/zinc/74/80/74/450748074.db2.gz JPQKTLWVCXQBBL-WBVHZDCISA-N 2 2 335.448 1.043 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000629605642 450760364 /nfs/dbraw/zinc/76/03/64/450760364.db2.gz LAYCNCPEXWOSQF-CVEARBPZSA-N 2 2 339.867 1.173 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000629605642 450760366 /nfs/dbraw/zinc/76/03/66/450760366.db2.gz LAYCNCPEXWOSQF-CVEARBPZSA-N 2 2 339.867 1.173 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000635254175 450786846 /nfs/dbraw/zinc/78/68/46/450786846.db2.gz FCSAKKZIZBHMHX-OAHLLOKOSA-N 2 2 344.459 1.355 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000635254175 450786850 /nfs/dbraw/zinc/78/68/50/450786850.db2.gz FCSAKKZIZBHMHX-OAHLLOKOSA-N 2 2 344.459 1.355 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000621643311 450808459 /nfs/dbraw/zinc/80/84/59/450808459.db2.gz DBDCOUHSQLWLHN-MRXNPFEDSA-N 2 2 331.460 1.816 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC000624392634 450828479 /nfs/dbraw/zinc/82/84/79/450828479.db2.gz VWXAGEFDEDUECL-UHFFFAOYSA-N 3 2 326.448 2.178 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC000624392634 450828484 /nfs/dbraw/zinc/82/84/84/450828484.db2.gz VWXAGEFDEDUECL-UHFFFAOYSA-N 3 2 326.448 2.178 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000631822994 450798465 /nfs/dbraw/zinc/79/84/65/450798465.db2.gz TZNGSMPBQPRYCF-HIFRSBDPSA-N 2 2 347.463 1.417 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000631822994 450798472 /nfs/dbraw/zinc/79/84/72/450798472.db2.gz TZNGSMPBQPRYCF-HIFRSBDPSA-N 2 2 347.463 1.417 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)C(C)(C)c3c[nH]c[nH+]3)C2)nc(C)[nH+]1 ZINC000621862387 450904796 /nfs/dbraw/zinc/90/47/96/450904796.db2.gz HYKUBRPKKQWQEJ-AWEZNQCLSA-N 2 2 342.447 1.879 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000621936587 450946908 /nfs/dbraw/zinc/94/69/08/450946908.db2.gz JBKXAQYMXQWEGX-HUUCEWRRSA-N 2 2 333.480 1.172 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000630045233 450979735 /nfs/dbraw/zinc/97/97/35/450979735.db2.gz GDHPGWYPNUMCIQ-JLSDUUJJSA-N 2 2 326.481 1.084 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000630045233 450979742 /nfs/dbraw/zinc/97/97/42/450979742.db2.gz GDHPGWYPNUMCIQ-JLSDUUJJSA-N 2 2 326.481 1.084 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635531950 451027788 /nfs/dbraw/zinc/02/77/88/451027788.db2.gz XFDUIAUBJDDHOY-OLZOCXBDSA-N 2 2 348.369 1.604 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635531950 451027793 /nfs/dbraw/zinc/02/77/93/451027793.db2.gz XFDUIAUBJDDHOY-OLZOCXBDSA-N 2 2 348.369 1.604 20 0 EDADLP C[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000632099875 451035701 /nfs/dbraw/zinc/03/57/01/451035701.db2.gz QAIOOTPTZOSCBV-HZPDHXFCSA-N 2 2 340.493 1.582 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633896646 451080068 /nfs/dbraw/zinc/08/00/68/451080068.db2.gz SRODHNCBXAXYAH-INIZCTEOSA-N 2 2 340.427 1.496 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635550830 451046567 /nfs/dbraw/zinc/04/65/67/451046567.db2.gz JIFQCWRZXSSGSH-INIZCTEOSA-N 3 2 334.508 1.147 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635550830 451046570 /nfs/dbraw/zinc/04/65/70/451046570.db2.gz JIFQCWRZXSSGSH-INIZCTEOSA-N 3 2 334.508 1.147 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[NH+](CCCF)CC1)[NH+]1CCOCC1 ZINC000627959075 451051657 /nfs/dbraw/zinc/05/16/57/451051657.db2.gz VIINWMMRLGQSAJ-QGZVFWFLSA-N 2 2 343.487 1.627 20 0 EDADLP C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000635680319 451164827 /nfs/dbraw/zinc/16/48/27/451164827.db2.gz CFNJUKBIOPUYTC-HOTGVXAUSA-N 2 2 334.464 1.651 20 0 EDADLP C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000635680320 451165147 /nfs/dbraw/zinc/16/51/47/451165147.db2.gz CFNJUKBIOPUYTC-HZPDHXFCSA-N 2 2 334.464 1.651 20 0 EDADLP C[C@H](Cc1cnn(C)c1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193606 451230092 /nfs/dbraw/zinc/23/00/92/451230092.db2.gz DTUQMQPWEAIEIC-CQSZACIVSA-N 2 2 342.447 1.384 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCc3ccc(=O)[nH]c3)c2)CC1 ZINC000634194365 451231246 /nfs/dbraw/zinc/23/12/46/451231246.db2.gz VUEZEYNDZBBTCN-UHFFFAOYSA-N 2 2 341.415 1.505 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCOCC(F)F)c2)CC1 ZINC000634193915 451229027 /nfs/dbraw/zinc/22/90/27/451229027.db2.gz NUKGSSLOUOHLFF-UHFFFAOYSA-N 2 2 328.363 1.444 20 0 EDADLP Cc1nn(C)cc1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193481 451229337 /nfs/dbraw/zinc/22/93/37/451229337.db2.gz JGNQEVWQSKLLMH-UHFFFAOYSA-N 2 2 328.420 1.057 20 0 EDADLP CC1CC[NH+](CC(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)CC1 ZINC000634195765 451232968 /nfs/dbraw/zinc/23/29/68/451232968.db2.gz DJVYPFNALWBMJM-UHFFFAOYSA-N 2 2 331.464 1.504 20 0 EDADLP CC1CC[NH+](CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC000634195765 451232970 /nfs/dbraw/zinc/23/29/70/451232970.db2.gz DJVYPFNALWBMJM-UHFFFAOYSA-N 3 2 331.464 1.504 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCCc4n[nH]cc43)c2)CC1 ZINC000634196256 451233393 /nfs/dbraw/zinc/23/33/93/451233393.db2.gz RJXKFCMBRWBASI-CQSZACIVSA-N 2 2 340.431 1.615 20 0 EDADLP Cc1noc(C)c1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634196956 451234137 /nfs/dbraw/zinc/23/41/37/451234137.db2.gz CEIUDGGCQSIEDT-UHFFFAOYSA-N 2 2 329.404 1.619 20 0 EDADLP COCC[C@H]([NH3+])Cc1cn(Cc2cn3cc(Cl)ccc3[nH+]2)nn1 ZINC000630589093 451266094 /nfs/dbraw/zinc/26/60/94/451266094.db2.gz DIHKCRZVROXWSC-LBPRGKRZSA-N 2 2 334.811 1.534 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638102544 451269562 /nfs/dbraw/zinc/26/95/62/451269562.db2.gz IVVCYGKMSZLPFY-LPHOPBHVSA-N 2 2 343.471 1.783 20 0 EDADLP [NH3+][C@@H]1CC=C(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000638113686 451281352 /nfs/dbraw/zinc/28/13/52/451281352.db2.gz UOIIVZYLTNKUKU-MSOLQXFVSA-N 2 2 329.444 1.094 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000638132850 451305540 /nfs/dbraw/zinc/30/55/40/451305540.db2.gz FSMKHJZWTSEEFM-CABCVRRESA-N 2 2 334.489 1.200 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640443617 451319137 /nfs/dbraw/zinc/31/91/37/451319137.db2.gz QKWGSMFPIBCXIG-HZPDHXFCSA-N 2 2 325.416 1.658 20 0 EDADLP CC1(C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000640522788 451373232 /nfs/dbraw/zinc/37/32/32/451373232.db2.gz VRNCXNMSAKPYJN-NUEKZKHPSA-N 2 2 332.448 1.061 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[C@]2(O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000640479094 451339107 /nfs/dbraw/zinc/33/91/07/451339107.db2.gz CTUFMPKXVXFXHD-YJBOKZPZSA-N 2 2 347.484 1.241 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000640479094 451339110 /nfs/dbraw/zinc/33/91/10/451339110.db2.gz CTUFMPKXVXFXHD-YJBOKZPZSA-N 2 2 347.484 1.241 20 0 EDADLP CS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638274800 451393236 /nfs/dbraw/zinc/39/32/36/451393236.db2.gz HHHLLCCPHPNOQS-WBVHZDCISA-N 2 2 337.489 1.493 20 0 EDADLP CS(=O)(=O)NCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638274800 451393240 /nfs/dbraw/zinc/39/32/40/451393240.db2.gz HHHLLCCPHPNOQS-WBVHZDCISA-N 2 2 337.489 1.493 20 0 EDADLP CCn1ncnc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000638287233 451404168 /nfs/dbraw/zinc/40/41/68/451404168.db2.gz SEPIHPPKKQTKED-CQSZACIVSA-N 2 2 334.493 1.438 20 0 EDADLP CN(C)c1cc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc[nH+]1 ZINC000640610621 451457376 /nfs/dbraw/zinc/45/73/76/451457376.db2.gz KQDAJTAFOCFQBW-UHFFFAOYSA-N 2 2 348.495 1.685 20 0 EDADLP CN(C)c1cc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc[nH+]1 ZINC000640610621 451457379 /nfs/dbraw/zinc/45/73/79/451457379.db2.gz KQDAJTAFOCFQBW-UHFFFAOYSA-N 2 2 348.495 1.685 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)C1 ZINC000640611829 451458472 /nfs/dbraw/zinc/45/84/72/451458472.db2.gz KBDDEZVHQMUXMJ-CYBMUJFWSA-N 2 2 328.420 1.898 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640615931 451462064 /nfs/dbraw/zinc/46/20/64/451462064.db2.gz GPCINOKJMGOZHY-MRXNPFEDSA-N 2 2 335.452 1.064 20 0 EDADLP COCCN1CCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634703286 451479397 /nfs/dbraw/zinc/47/93/97/451479397.db2.gz TVDKEFRSAQWKAS-WOJBJXKFSA-N 2 2 347.503 1.324 20 0 EDADLP COCCN1CCC[C@@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703286 451479401 /nfs/dbraw/zinc/47/94/01/451479401.db2.gz TVDKEFRSAQWKAS-WOJBJXKFSA-N 2 2 347.503 1.324 20 0 EDADLP Cc1cc(C[C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000634708202 451487334 /nfs/dbraw/zinc/48/73/34/451487334.db2.gz RHJALOGSWNPGDI-DNVCBOLYSA-N 2 2 328.460 1.876 20 0 EDADLP Cc1cc(C[C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000634708202 451487336 /nfs/dbraw/zinc/48/73/36/451487336.db2.gz RHJALOGSWNPGDI-DNVCBOLYSA-N 2 2 328.460 1.876 20 0 EDADLP Cc1cc(C[C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000634708202 451487339 /nfs/dbraw/zinc/48/73/39/451487339.db2.gz RHJALOGSWNPGDI-DNVCBOLYSA-N 2 2 328.460 1.876 20 0 EDADLP Cc1cc(C[C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000634708202 451487343 /nfs/dbraw/zinc/48/73/43/451487343.db2.gz RHJALOGSWNPGDI-DNVCBOLYSA-N 2 2 328.460 1.876 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000634732365 451512307 /nfs/dbraw/zinc/51/23/07/451512307.db2.gz DTYBKKICCKLXDH-GOSISDBHSA-N 3 2 338.540 1.151 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000634732365 451512311 /nfs/dbraw/zinc/51/23/11/451512311.db2.gz DTYBKKICCKLXDH-GOSISDBHSA-N 3 2 338.540 1.151 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631043489 451550213 /nfs/dbraw/zinc/55/02/13/451550213.db2.gz YAIQBECWEAJAEC-BBWFWOEESA-N 2 2 335.496 1.772 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631043489 451550205 /nfs/dbraw/zinc/55/02/05/451550205.db2.gz YAIQBECWEAJAEC-BBWFWOEESA-N 2 2 335.496 1.772 20 0 EDADLP C[C@H]1CCN(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631081787 451574174 /nfs/dbraw/zinc/57/41/74/451574174.db2.gz BTURTYCIEKYHDD-SFHVURJKSA-N 2 2 347.503 1.829 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000631153350 451612856 /nfs/dbraw/zinc/61/28/56/451612856.db2.gz ZHZAJTUJFQPLML-MRXNPFEDSA-N 2 2 333.480 2.156 20 0 EDADLP Cc1cc(NCCNC(=O)Cn2cc[nH+]c2C(C)C)nc(C(C)C)[nH+]1 ZINC000636259815 451629666 /nfs/dbraw/zinc/62/96/66/451629666.db2.gz JORYYSSMLNDRIV-UHFFFAOYSA-N 2 2 344.463 2.457 20 0 EDADLP CC1CCC(NC(=O)C[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000634992734 451640309 /nfs/dbraw/zinc/64/03/09/451640309.db2.gz ZAGTXRRXHHEMJS-UHFFFAOYSA-N 2 2 334.508 1.051 20 0 EDADLP Cc1nc(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)nc(N)[nH+]1 ZINC000631208833 451641564 /nfs/dbraw/zinc/64/15/64/451641564.db2.gz DJIBBGTYQYJGMB-GFCCVEGCSA-N 2 2 340.353 1.918 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@H](C(F)F)CC2)CC1 ZINC000636987043 451662720 /nfs/dbraw/zinc/66/27/20/451662720.db2.gz LMBWBUQPTUSOIZ-AWEZNQCLSA-N 2 2 348.438 1.078 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)CC(C)(C)C ZINC000636328754 451682270 /nfs/dbraw/zinc/68/22/70/451682270.db2.gz HXFIFCKHQDCLOE-UHFFFAOYSA-N 2 2 333.480 1.141 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)CC(C)(C)C ZINC000636328754 451682271 /nfs/dbraw/zinc/68/22/71/451682271.db2.gz HXFIFCKHQDCLOE-UHFFFAOYSA-N 2 2 333.480 1.141 20 0 EDADLP [NH3+][C@H]1CCCCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000638818733 451700394 /nfs/dbraw/zinc/70/03/94/451700394.db2.gz FKBFCOUDBQFGEH-KRWDZBQOSA-N 2 2 331.460 1.862 20 0 EDADLP Brc1ccc2[nH+]c(Cn3cc(C[NH2+]C4CC4)nn3)cn2c1 ZINC000640957309 451703896 /nfs/dbraw/zinc/70/38/96/451703896.db2.gz CCWIHRBBWNSMNW-UHFFFAOYSA-N 2 2 347.220 1.989 20 0 EDADLP O=C(C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000638842298 451708121 /nfs/dbraw/zinc/70/81/21/451708121.db2.gz OEYOVVSDYQLQTB-HKUYNNGSSA-N 2 2 343.471 1.803 20 0 EDADLP O=C(C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000638842298 451708125 /nfs/dbraw/zinc/70/81/25/451708125.db2.gz OEYOVVSDYQLQTB-HKUYNNGSSA-N 2 2 343.471 1.803 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ncc4n3CCCC4)C2)CC1 ZINC000631258555 451667733 /nfs/dbraw/zinc/66/77/33/451667733.db2.gz AOHKPFYFCFXZNE-CQSZACIVSA-N 2 2 331.464 1.118 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ncc4n3CCCC4)C2)CC1 ZINC000631258555 451667734 /nfs/dbraw/zinc/66/77/34/451667734.db2.gz AOHKPFYFCFXZNE-CQSZACIVSA-N 2 2 331.464 1.118 20 0 EDADLP COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000640879357 451668421 /nfs/dbraw/zinc/66/84/21/451668421.db2.gz FWACKSJLIUPRKX-OAHLLOKOSA-N 2 2 326.404 1.418 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637107787 451726164 /nfs/dbraw/zinc/72/61/64/451726164.db2.gz REGMSQYZSPVBQA-DLBZAZTESA-N 2 2 339.443 1.629 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637107787 451726165 /nfs/dbraw/zinc/72/61/65/451726165.db2.gz REGMSQYZSPVBQA-DLBZAZTESA-N 2 2 339.443 1.629 20 0 EDADLP Cc1noc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC000639097021 451767314 /nfs/dbraw/zinc/76/73/14/451767314.db2.gz ILHLLPJWZTYYEA-AWEZNQCLSA-N 2 2 346.431 1.940 20 0 EDADLP CCN(CCOC)c1cccc(Cn2cc([C@](C)([NH3+])CC)nn2)[nH+]1 ZINC000641169318 451768184 /nfs/dbraw/zinc/76/81/84/451768184.db2.gz JDQUJLTWYUOYSM-QGZVFWFLSA-N 2 2 332.452 1.778 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179388 451786528 /nfs/dbraw/zinc/78/65/28/451786528.db2.gz SNYVEYSTQLISPY-FZMZJTMJSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179388 451786530 /nfs/dbraw/zinc/78/65/30/451786530.db2.gz SNYVEYSTQLISPY-FZMZJTMJSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179388 451786532 /nfs/dbraw/zinc/78/65/32/451786532.db2.gz SNYVEYSTQLISPY-FZMZJTMJSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179388 451786535 /nfs/dbraw/zinc/78/65/35/451786535.db2.gz SNYVEYSTQLISPY-FZMZJTMJSA-N 2 2 345.896 1.759 20 0 EDADLP Cc1cc(N2CCN(C(=O)NCC[NH2+]C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000637338904 451793573 /nfs/dbraw/zinc/79/35/73/451793573.db2.gz DNCJMTCAYSVVOS-UHFFFAOYSA-N 2 2 346.479 1.492 20 0 EDADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000639233890 451795990 /nfs/dbraw/zinc/79/59/90/451795990.db2.gz XTOLZOXQJLAVKD-AWEZNQCLSA-N 2 2 326.448 1.256 20 0 EDADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+](Cc2ccccc2)C1 ZINC000639233890 451795991 /nfs/dbraw/zinc/79/59/91/451795991.db2.gz XTOLZOXQJLAVKD-AWEZNQCLSA-N 2 2 326.448 1.256 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CC[N@H+](C)C1 ZINC000646766074 451828444 /nfs/dbraw/zinc/82/84/44/451828444.db2.gz RLXGCOSYIKNPTI-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CC[N@@H+](C)C1 ZINC000646766074 451828446 /nfs/dbraw/zinc/82/84/46/451828446.db2.gz RLXGCOSYIKNPTI-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@]1(C)CO ZINC000639331733 451830723 /nfs/dbraw/zinc/83/07/23/451830723.db2.gz YHPDHHLLFJZSIS-FXAWDEMLSA-N 2 2 348.487 1.848 20 0 EDADLP CC(C)CC[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000644517470 451836266 /nfs/dbraw/zinc/83/62/66/451836266.db2.gz WJNCQYHEBKMOAO-KRWDZBQOSA-N 2 2 335.496 1.375 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](c2ccccc2)C1 ZINC000649102739 451845787 /nfs/dbraw/zinc/84/57/87/451845787.db2.gz JEDZZLUIQGKUJA-LMMKCTJWSA-N 2 2 338.455 1.907 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](c2ccccc2)C1 ZINC000649102739 451845794 /nfs/dbraw/zinc/84/57/94/451845794.db2.gz JEDZZLUIQGKUJA-LMMKCTJWSA-N 2 2 338.455 1.907 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000641323797 451847331 /nfs/dbraw/zinc/84/73/31/451847331.db2.gz PBIHSXGRWXTMJS-AWEZNQCLSA-N 2 2 337.489 1.295 20 0 EDADLP C[NH+]1CCC[C@@H](CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000641323797 451847338 /nfs/dbraw/zinc/84/73/38/451847338.db2.gz PBIHSXGRWXTMJS-AWEZNQCLSA-N 2 2 337.489 1.295 20 0 EDADLP C[NH+]1CCC[C@@H](CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000641323797 451847344 /nfs/dbraw/zinc/84/73/44/451847344.db2.gz PBIHSXGRWXTMJS-AWEZNQCLSA-N 2 2 337.489 1.295 20 0 EDADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000644548272 451855789 /nfs/dbraw/zinc/85/57/89/451855789.db2.gz YTASDWTYXRYTKZ-KBPBESRZSA-N 2 2 343.265 1.873 20 0 EDADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000644548272 451855792 /nfs/dbraw/zinc/85/57/92/451855792.db2.gz YTASDWTYXRYTKZ-KBPBESRZSA-N 2 2 343.265 1.873 20 0 EDADLP COCCOCC[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000651485234 451859142 /nfs/dbraw/zinc/85/91/42/451859142.db2.gz VRWUHNUSURKZCX-UHFFFAOYSA-N 2 2 331.416 1.725 20 0 EDADLP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000649123929 451859701 /nfs/dbraw/zinc/85/97/01/451859701.db2.gz QACCLAUUQQRGKX-ZWKOTPCHSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000649123929 451859708 /nfs/dbraw/zinc/85/97/08/451859708.db2.gz QACCLAUUQQRGKX-ZWKOTPCHSA-N 2 2 335.492 1.717 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637447180 451863136 /nfs/dbraw/zinc/86/31/36/451863136.db2.gz WJRMXRKGWKDDDD-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637447180 451863142 /nfs/dbraw/zinc/86/31/42/451863142.db2.gz WJRMXRKGWKDDDD-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(=O)N1CCCC[C@@H]1C ZINC000644563115 451865194 /nfs/dbraw/zinc/86/51/94/451865194.db2.gz MLVFBGZRTDHLQJ-JENIJYKNSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(=O)N1CCCC[C@@H]1C ZINC000644563115 451865198 /nfs/dbraw/zinc/86/51/98/451865198.db2.gz MLVFBGZRTDHLQJ-JENIJYKNSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639472426 451885207 /nfs/dbraw/zinc/88/52/07/451885207.db2.gz JJNRQZSEXXWRPY-SCTDSRPQSA-N 2 2 348.535 1.630 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639472426 451885214 /nfs/dbraw/zinc/88/52/14/451885214.db2.gz JJNRQZSEXXWRPY-SCTDSRPQSA-N 2 2 348.535 1.630 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)[C@@H](C)C[NH+]3CCOCC3)cn21 ZINC000649207268 451905326 /nfs/dbraw/zinc/90/53/26/451905326.db2.gz YCGRMWVTCMIILQ-AWEZNQCLSA-N 2 2 330.432 1.270 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3C[NH2+]CCOC3)n2)C1 ZINC000649278764 451949396 /nfs/dbraw/zinc/94/93/96/451949396.db2.gz ZYESFXKNJBXITO-OLZOCXBDSA-N 2 2 338.477 1.550 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3C[NH2+]CCOC3)n2)C1 ZINC000649278764 451949398 /nfs/dbraw/zinc/94/93/98/451949398.db2.gz ZYESFXKNJBXITO-OLZOCXBDSA-N 2 2 338.477 1.550 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651564747 451919081 /nfs/dbraw/zinc/91/90/81/451919081.db2.gz QALBBDPEFUWLLQ-UHFFFAOYSA-N 2 2 348.491 1.579 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000649282463 451955586 /nfs/dbraw/zinc/95/55/86/451955586.db2.gz YSVBTFDCDRLIHQ-KGLIPLIRSA-N 2 2 334.370 1.871 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649284802 451958000 /nfs/dbraw/zinc/95/80/00/451958000.db2.gz AQPXEJILUCPZGK-AWEZNQCLSA-N 2 2 338.402 1.933 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000649285607 451959248 /nfs/dbraw/zinc/95/92/48/451959248.db2.gz HOOGXJGGOFKPDF-HOCLYGCPSA-N 2 2 344.459 1.401 20 0 EDADLP CNc1nc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]c2ccccc21 ZINC000649304820 451982019 /nfs/dbraw/zinc/98/20/19/451982019.db2.gz YFLUHYPKYQRJSW-AWEZNQCLSA-N 2 2 327.432 1.181 20 0 EDADLP O[C@@]1(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639641556 451992990 /nfs/dbraw/zinc/99/29/90/451992990.db2.gz JRPNXVQLVLQGHD-PMACEKPBSA-N 2 2 346.471 1.505 20 0 EDADLP O[C@@]1(C[N@H+]2CCO[C@@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639641556 451992995 /nfs/dbraw/zinc/99/29/95/451992995.db2.gz JRPNXVQLVLQGHD-PMACEKPBSA-N 2 2 346.471 1.505 20 0 EDADLP O[C@@]1(C[NH+]2CCO[C@@]3(CCCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639641556 451992998 /nfs/dbraw/zinc/99/29/98/451992998.db2.gz JRPNXVQLVLQGHD-PMACEKPBSA-N 2 2 346.471 1.505 20 0 EDADLP O[C@@]1(C[NH+]2CCO[C@@]3(CCCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639641556 451993004 /nfs/dbraw/zinc/99/30/04/451993004.db2.gz JRPNXVQLVLQGHD-PMACEKPBSA-N 2 2 346.471 1.505 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649325785 452007011 /nfs/dbraw/zinc/00/70/11/452007011.db2.gz FQFFIEFVUVMYHD-APIJFGDWSA-N 2 2 335.473 1.330 20 0 EDADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000649351448 452035108 /nfs/dbraw/zinc/03/51/08/452035108.db2.gz ZTEGIYWYVYFLRN-YJBOKZPZSA-N 2 2 348.466 1.452 20 0 EDADLP Cn1c[nH+]cc1CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625570 452047333 /nfs/dbraw/zinc/04/73/33/452047333.db2.gz JGQRBCNKFZCDGP-HXUWFJFHSA-N 3 2 342.487 1.922 20 0 EDADLP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000653625570 452047337 /nfs/dbraw/zinc/04/73/37/452047337.db2.gz JGQRBCNKFZCDGP-HXUWFJFHSA-N 3 2 342.487 1.922 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000653625570 452047343 /nfs/dbraw/zinc/04/73/43/452047343.db2.gz JGQRBCNKFZCDGP-HXUWFJFHSA-N 3 2 342.487 1.922 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000653625570 452047348 /nfs/dbraw/zinc/04/73/48/452047348.db2.gz JGQRBCNKFZCDGP-HXUWFJFHSA-N 3 2 342.487 1.922 20 0 EDADLP CCCN(C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)[C@H]1CC[N@H+](C)C1 ZINC000647082057 452049959 /nfs/dbraw/zinc/04/99/59/452049959.db2.gz FZNJGBWYDMPEIR-INIZCTEOSA-N 2 2 332.448 1.257 20 0 EDADLP CCCN(C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000647082057 452049966 /nfs/dbraw/zinc/04/99/66/452049966.db2.gz FZNJGBWYDMPEIR-INIZCTEOSA-N 2 2 332.448 1.257 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000653679359 452073769 /nfs/dbraw/zinc/07/37/69/452073769.db2.gz ZSYIQHKBAWDIHJ-PKOBYXMFSA-N 2 2 334.460 1.395 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000653679359 452073777 /nfs/dbraw/zinc/07/37/77/452073777.db2.gz ZSYIQHKBAWDIHJ-PKOBYXMFSA-N 2 2 334.460 1.395 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000653679359 452073790 /nfs/dbraw/zinc/07/37/90/452073790.db2.gz ZSYIQHKBAWDIHJ-PKOBYXMFSA-N 2 2 334.460 1.395 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000649414716 452075619 /nfs/dbraw/zinc/07/56/19/452075619.db2.gz SNKBHSXESQOFEJ-QGZVFWFLSA-N 3 2 326.444 1.955 20 0 EDADLP CC[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000649416862 452080247 /nfs/dbraw/zinc/08/02/47/452080247.db2.gz OEBDWBZOHFEYEV-DLBZAZTESA-N 3 2 345.491 1.180 20 0 EDADLP CC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000649416862 452080249 /nfs/dbraw/zinc/08/02/49/452080249.db2.gz OEBDWBZOHFEYEV-DLBZAZTESA-N 3 2 345.491 1.180 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000653729398 452093977 /nfs/dbraw/zinc/09/39/77/452093977.db2.gz AJBAHSXAGKEJMP-INIZCTEOSA-N 2 2 340.439 1.390 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000639762383 452100950 /nfs/dbraw/zinc/10/09/50/452100950.db2.gz SGQZXNWLEQEDGD-KXBFYZLASA-N 2 2 347.459 1.296 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000639762383 452100956 /nfs/dbraw/zinc/10/09/56/452100956.db2.gz SGQZXNWLEQEDGD-KXBFYZLASA-N 2 2 347.459 1.296 20 0 EDADLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647170475 452103121 /nfs/dbraw/zinc/10/31/21/452103121.db2.gz APEGAWQRLOGTCJ-UHFFFAOYSA-N 2 2 343.468 1.683 20 0 EDADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647174597 452105884 /nfs/dbraw/zinc/10/58/84/452105884.db2.gz GZWHSDGZKYRFPA-LBPRGKRZSA-N 2 2 329.441 1.295 20 0 EDADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647174597 452105891 /nfs/dbraw/zinc/10/58/91/452105891.db2.gz GZWHSDGZKYRFPA-LBPRGKRZSA-N 2 2 329.441 1.295 20 0 EDADLP NC(=O)C1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000637838340 452110510 /nfs/dbraw/zinc/11/05/10/452110510.db2.gz VDEHSSMGYLGQPP-UHFFFAOYSA-N 2 2 347.459 1.095 20 0 EDADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)C(C)(C)C ZINC000647183532 452112621 /nfs/dbraw/zinc/11/26/21/452112621.db2.gz AJFDKPMLQXLTPY-OAHLLOKOSA-N 2 2 345.484 1.929 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC000645019825 452117907 /nfs/dbraw/zinc/11/79/07/452117907.db2.gz HDYQYPJAWOMOKA-HRCADAONSA-N 2 2 329.448 1.396 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC000645019825 452117912 /nfs/dbraw/zinc/11/79/12/452117912.db2.gz HDYQYPJAWOMOKA-HRCADAONSA-N 2 2 329.448 1.396 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(Cc3c[nH+]c(N)nc3N)CC2)cc1 ZINC000637881203 452133050 /nfs/dbraw/zinc/13/30/50/452133050.db2.gz FPRSTQZTLNUZBQ-UHFFFAOYSA-N 2 2 342.447 1.018 20 0 EDADLP COCc1ccccc1/C=C(\C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891025 452148352 /nfs/dbraw/zinc/14/83/52/452148352.db2.gz DFLKTSPMIIDEOF-GHRIWEEISA-N 2 2 345.487 1.942 20 0 EDADLP COCc1ccccc1/C=C(\C)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891025 452148357 /nfs/dbraw/zinc/14/83/57/452148357.db2.gz DFLKTSPMIIDEOF-GHRIWEEISA-N 2 2 345.487 1.942 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000649571678 452151219 /nfs/dbraw/zinc/15/12/19/452151219.db2.gz SONJURZNXLTFTH-UHFFFAOYSA-N 2 2 331.508 1.820 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000645221357 452217295 /nfs/dbraw/zinc/21/72/95/452217295.db2.gz KKVSPPGOPABIBV-YLJYHZDGSA-N 2 2 343.471 1.647 20 0 EDADLP CCn1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(-c2ccccc2)n1 ZINC000641720965 452219841 /nfs/dbraw/zinc/21/98/41/452219841.db2.gz YRZBXQYNEXCBFB-GOSISDBHSA-N 2 2 327.476 1.905 20 0 EDADLP CCn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(-c2ccccc2)n1 ZINC000641720965 452219844 /nfs/dbraw/zinc/21/98/44/452219844.db2.gz YRZBXQYNEXCBFB-GOSISDBHSA-N 2 2 327.476 1.905 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000643440789 452222699 /nfs/dbraw/zinc/22/26/99/452222699.db2.gz YNGNIHMDEQSXJL-CABCVRRESA-N 2 2 345.443 1.159 20 0 EDADLP CCOc1c(C[N@H+](C)CCN2CC[NH2+]CC2)c(C)nn1CC(C)C ZINC000647492953 452236123 /nfs/dbraw/zinc/23/61/23/452236123.db2.gz KNFRGSAKAMSQPC-UHFFFAOYSA-N 2 2 337.512 1.583 20 0 EDADLP CCOc1c(C[N@@H+](C)CCN2CC[NH2+]CC2)c(C)nn1CC(C)C ZINC000647492953 452236126 /nfs/dbraw/zinc/23/61/26/452236126.db2.gz KNFRGSAKAMSQPC-UHFFFAOYSA-N 2 2 337.512 1.583 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCCO1 ZINC000641783971 452253301 /nfs/dbraw/zinc/25/33/01/452253301.db2.gz BMKNFDAQPPCHCN-RCCFBDPRSA-N 2 2 325.497 1.330 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000647520107 452254343 /nfs/dbraw/zinc/25/43/43/452254343.db2.gz WBKAHOMHXWSDFD-YZGWKJHDSA-N 2 2 326.440 1.727 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000647520107 452254351 /nfs/dbraw/zinc/25/43/51/452254351.db2.gz WBKAHOMHXWSDFD-YZGWKJHDSA-N 2 2 326.440 1.727 20 0 EDADLP CCn1ccnc1[C@@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641785931 452256716 /nfs/dbraw/zinc/25/67/16/452256716.db2.gz MOYVSCCCPVETGA-SJORKVTESA-N 2 2 335.496 1.350 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](O)[C@H]3CCOC3)c2cc1C ZINC000647527805 452261919 /nfs/dbraw/zinc/26/19/19/452261919.db2.gz VJJIYEWUTFEGLU-DAYGRLMNSA-N 2 2 333.432 1.001 20 0 EDADLP c1cn2c(cccc2C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000641788048 452263391 /nfs/dbraw/zinc/26/33/91/452263391.db2.gz IAMBPYWSHWAUPI-KRWDZBQOSA-N 2 2 343.475 1.221 20 0 EDADLP c1cn2c(cccc2C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)[nH+]1 ZINC000641788048 452263396 /nfs/dbraw/zinc/26/33/96/452263396.db2.gz IAMBPYWSHWAUPI-KRWDZBQOSA-N 3 2 343.475 1.221 20 0 EDADLP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788742 452265558 /nfs/dbraw/zinc/26/55/58/452265558.db2.gz ZWNHFPWBBVXFOO-DLBZAZTESA-N 2 2 333.480 1.232 20 0 EDADLP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655478123 452273580 /nfs/dbraw/zinc/27/35/80/452273580.db2.gz NNMRBVDQTUNUFX-UXLLHSPISA-N 2 2 332.448 1.190 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647550702 452276532 /nfs/dbraw/zinc/27/65/32/452276532.db2.gz CGGNWIUDKJNWKW-YOEHRIQHSA-N 2 2 339.505 1.602 20 0 EDADLP CN(Cc1c[nH+]c(N)nc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638029973 452279362 /nfs/dbraw/zinc/27/93/62/452279362.db2.gz AVFYWNILDCOGTI-UHFFFAOYSA-N 2 2 326.448 1.398 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641803919 452279677 /nfs/dbraw/zinc/27/96/77/452279677.db2.gz WDPBRGDBJCNAPB-MSOLQXFVSA-N 3 2 344.503 1.355 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000641803245 452279968 /nfs/dbraw/zinc/27/99/68/452279968.db2.gz RQMDEDRJBJUWIU-IAGOWNOFSA-N 3 2 330.476 1.046 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000659434043 452280706 /nfs/dbraw/zinc/28/07/06/452280706.db2.gz IMWUTGCPEYHHJA-RDJZCZTQSA-N 2 2 334.464 1.275 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(Br)cc1 ZINC000641804744 452282408 /nfs/dbraw/zinc/28/24/08/452282408.db2.gz LERPUTKMXOWRSL-WOPDTQHZSA-N 2 2 326.238 1.691 20 0 EDADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000643526207 452293971 /nfs/dbraw/zinc/29/39/71/452293971.db2.gz UKRMTAQYPSYYHF-QWHCGFSZSA-N 2 2 337.445 1.756 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)c1c(F)cccc1F ZINC000659455668 452305436 /nfs/dbraw/zinc/30/54/36/452305436.db2.gz BQISVEWFCHUVFR-CHHLVHLRSA-N 2 2 338.402 1.700 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000638049356 452316778 /nfs/dbraw/zinc/31/67/78/452316778.db2.gz DFWWRKKDENWPRA-XJKSGUPXSA-N 2 2 338.477 1.835 20 0 EDADLP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000641838185 452319705 /nfs/dbraw/zinc/31/97/05/452319705.db2.gz SHQTWDJZDLMSIT-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000641838185 452319713 /nfs/dbraw/zinc/31/97/13/452319713.db2.gz SHQTWDJZDLMSIT-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000652130940 452326887 /nfs/dbraw/zinc/32/68/87/452326887.db2.gz GRDOYDCLIVTAOV-UHFFFAOYSA-N 2 2 345.422 1.859 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)c3cnc(C[NH3+])nc3)CC2)c1 ZINC000638052267 452327036 /nfs/dbraw/zinc/32/70/36/452327036.db2.gz ZBGFLVJJFDXTTF-UHFFFAOYSA-N 2 2 325.416 1.202 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000647593801 452331296 /nfs/dbraw/zinc/33/12/96/452331296.db2.gz JPHYPJCRESKWKD-GJZGRUSLSA-N 2 2 334.464 1.261 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000647593801 452331306 /nfs/dbraw/zinc/33/13/06/452331306.db2.gz JPHYPJCRESKWKD-GJZGRUSLSA-N 2 2 334.464 1.261 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638052774 452331802 /nfs/dbraw/zinc/33/18/02/452331802.db2.gz AEYQQSYVPDPJMR-QGZVFWFLSA-N 2 2 329.444 1.695 20 0 EDADLP CC[NH2+][C@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000638054832 452339296 /nfs/dbraw/zinc/33/92/96/452339296.db2.gz FLTFDBUZJYKMHF-MLGOLLRUSA-N 2 2 346.431 1.641 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000641941863 452349934 /nfs/dbraw/zinc/34/99/34/452349934.db2.gz SLEWGJXPCBJZLO-LSDHHAIUSA-N 2 2 334.464 1.567 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000665775204 452357725 /nfs/dbraw/zinc/35/77/25/452357725.db2.gz HMIRCHSSEOOYPS-QZTJIDSGSA-N 2 2 338.455 1.911 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000659526103 452388674 /nfs/dbraw/zinc/38/86/74/452388674.db2.gz KTJYUFUWIOXFLI-RHSMWYFYSA-N 2 2 332.448 1.322 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652197418 452393806 /nfs/dbraw/zinc/39/38/06/452393806.db2.gz ZFNSCSRUMLTIBY-KKUMJFAQSA-N 2 2 335.452 1.331 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659537676 452397439 /nfs/dbraw/zinc/39/74/39/452397439.db2.gz MNCLXDCUVQVIOW-AEFFLSMTSA-N 2 2 347.507 1.100 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659537676 452397443 /nfs/dbraw/zinc/39/74/43/452397443.db2.gz MNCLXDCUVQVIOW-AEFFLSMTSA-N 2 2 347.507 1.100 20 0 EDADLP CSc1ccc(OCC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640060061 452402121 /nfs/dbraw/zinc/40/21/21/452402121.db2.gz YJAVOGOAKITIQX-UHFFFAOYSA-N 2 2 337.489 1.493 20 0 EDADLP CSc1ccc(OCC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000640060061 452402129 /nfs/dbraw/zinc/40/21/29/452402129.db2.gz YJAVOGOAKITIQX-UHFFFAOYSA-N 2 2 337.489 1.493 20 0 EDADLP O=C1CC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@@H]2N1 ZINC000661598626 452404906 /nfs/dbraw/zinc/40/49/06/452404906.db2.gz WSOBMCSMPDWWMS-MOPGFXCFSA-N 2 2 343.471 1.619 20 0 EDADLP O=C1CC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@@H]2N1 ZINC000661598626 452404917 /nfs/dbraw/zinc/40/49/17/452404917.db2.gz WSOBMCSMPDWWMS-MOPGFXCFSA-N 2 2 343.471 1.619 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)C[NH+]1CCCCC1 ZINC000663754537 452485162 /nfs/dbraw/zinc/48/51/62/452485162.db2.gz GMEYWCGLAWJJBW-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)C[NH+]1CCCCC1 ZINC000663754537 452485170 /nfs/dbraw/zinc/48/51/70/452485170.db2.gz GMEYWCGLAWJJBW-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP FC(F)(F)CN1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655704881 452524701 /nfs/dbraw/zinc/52/47/01/452524701.db2.gz OYEOTHNOTVUYJN-HNNXBMFYSA-N 2 2 335.414 1.856 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350754 452525254 /nfs/dbraw/zinc/52/52/54/452525254.db2.gz FGILPTFSZAQMFA-LXIYXOSZSA-N 2 2 331.416 1.803 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350754 452525259 /nfs/dbraw/zinc/52/52/59/452525259.db2.gz FGILPTFSZAQMFA-LXIYXOSZSA-N 2 2 331.416 1.803 20 0 EDADLP C[C@H]1CCC[N@H+](CCOc2cccc(S(C)(=O)=O)c2)[C@H]1CC[NH3+] ZINC000652355392 452531672 /nfs/dbraw/zinc/53/16/72/452531672.db2.gz XCYDZPPVGMQHDR-YOEHRIQHSA-N 2 2 340.489 1.918 20 0 EDADLP C[C@H]1CCC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)[C@H]1CC[NH3+] ZINC000652355392 452531679 /nfs/dbraw/zinc/53/16/79/452531679.db2.gz XCYDZPPVGMQHDR-YOEHRIQHSA-N 2 2 340.489 1.918 20 0 EDADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000655720330 452535651 /nfs/dbraw/zinc/53/56/51/452535651.db2.gz UBVNJJHWOSAALV-MRXNPFEDSA-N 2 2 332.423 1.866 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000652357941 452537110 /nfs/dbraw/zinc/53/71/10/452537110.db2.gz PMBIMVARCRHERZ-UEKVPHQBSA-N 2 2 327.375 1.587 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)C[C@H]1C[NH3+] ZINC000652357941 452537114 /nfs/dbraw/zinc/53/71/14/452537114.db2.gz PMBIMVARCRHERZ-UEKVPHQBSA-N 2 2 327.375 1.587 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652358008 452537922 /nfs/dbraw/zinc/53/79/22/452537922.db2.gz XNCWUMPMZHJUIO-ZTFGCOKTSA-N 2 2 333.476 1.722 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652358008 452537932 /nfs/dbraw/zinc/53/79/32/452537932.db2.gz XNCWUMPMZHJUIO-ZTFGCOKTSA-N 2 2 333.476 1.722 20 0 EDADLP CCC(C)(C)OCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370662 452558249 /nfs/dbraw/zinc/55/82/49/452558249.db2.gz JFMXWXWTSLRBLA-OAHLLOKOSA-N 2 2 340.512 1.659 20 0 EDADLP CCC(C)(C)OCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370662 452558260 /nfs/dbraw/zinc/55/82/60/452558260.db2.gz JFMXWXWTSLRBLA-OAHLLOKOSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835686 452572827 /nfs/dbraw/zinc/57/28/27/452572827.db2.gz IRYNSGSSCWDTGE-HNNXBMFYSA-N 2 2 329.448 1.558 20 0 EDADLP C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835686 452572831 /nfs/dbraw/zinc/57/28/31/452572831.db2.gz IRYNSGSSCWDTGE-HNNXBMFYSA-N 2 2 329.448 1.558 20 0 EDADLP CC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCCCO1 ZINC000654509083 452582715 /nfs/dbraw/zinc/58/27/15/452582715.db2.gz QQLSXTMJTPSPSP-IAGOWNOFSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925832 452664192 /nfs/dbraw/zinc/66/41/92/452664192.db2.gz ZEKFJVWBZXJMOC-AWEZNQCLSA-N 2 2 347.459 1.318 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC[C@@H]1[NH3+] ZINC000647936404 452676966 /nfs/dbraw/zinc/67/69/66/452676966.db2.gz DBNKRGIJCJNXQU-BVGQSLNGSA-N 2 2 347.459 1.868 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC[C@@H]1[NH3+] ZINC000647936404 452676973 /nfs/dbraw/zinc/67/69/73/452676973.db2.gz DBNKRGIJCJNXQU-BVGQSLNGSA-N 2 2 347.459 1.868 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647936615 452676992 /nfs/dbraw/zinc/67/69/92/452676992.db2.gz IHULTTYMLVTURU-YJBOKZPZSA-N 2 2 333.476 1.899 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647936615 452677000 /nfs/dbraw/zinc/67/70/00/452677000.db2.gz IHULTTYMLVTURU-YJBOKZPZSA-N 2 2 333.476 1.899 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@H+](CCO)C[C@@H]3C)c2cc1OC ZINC000663989800 452692618 /nfs/dbraw/zinc/69/26/18/452692618.db2.gz QGCZJINZDMFEEO-ZDUSSCGKSA-N 2 2 331.416 1.755 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@@H+](CCO)C[C@@H]3C)c2cc1OC ZINC000663989800 452692624 /nfs/dbraw/zinc/69/26/24/452692624.db2.gz QGCZJINZDMFEEO-ZDUSSCGKSA-N 2 2 331.416 1.755 20 0 EDADLP CN1c2ccccc2C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000658108133 452728877 /nfs/dbraw/zinc/72/88/77/452728877.db2.gz PKJNBWXLGZYNMC-IRXDYDNUSA-N 2 2 329.444 1.417 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661983527 452736976 /nfs/dbraw/zinc/73/69/76/452736976.db2.gz VXUHMBKAOATQEC-MRXNPFEDSA-N 2 2 335.452 1.168 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C)c[nH+]1 ZINC000652589131 452758310 /nfs/dbraw/zinc/75/83/10/452758310.db2.gz PYQNMYNYBCHLNJ-UXLLHSPISA-N 2 2 332.448 1.871 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cnc2ccnn2c1 ZINC000648027053 452763757 /nfs/dbraw/zinc/76/37/57/452763757.db2.gz SVJXCIZBRHAOFL-GJZGRUSLSA-N 2 2 343.410 1.165 20 0 EDADLP Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000645797171 452795743 /nfs/dbraw/zinc/79/57/43/452795743.db2.gz IJGGMDMWZVADKB-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000645797171 452795754 /nfs/dbraw/zinc/79/57/54/452795754.db2.gz IJGGMDMWZVADKB-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP C[N@H+](CCN1CC[NH+](CCc2c[nH]nn2)CC1)Cc1ccccc1 ZINC000659911917 452801464 /nfs/dbraw/zinc/80/14/64/452801464.db2.gz JYVFKDFVRCOKJX-UHFFFAOYSA-N 2 2 328.464 1.097 20 0 EDADLP C[N@@H+](CCN1CC[NH+](CCc2c[nH]nn2)CC1)Cc1ccccc1 ZINC000659911917 452801469 /nfs/dbraw/zinc/80/14/69/452801469.db2.gz JYVFKDFVRCOKJX-UHFFFAOYSA-N 2 2 328.464 1.097 20 0 EDADLP C[N@H+](CCN1CC[NH+](CCc2cn[nH]n2)CC1)Cc1ccccc1 ZINC000659911917 452801474 /nfs/dbraw/zinc/80/14/74/452801474.db2.gz JYVFKDFVRCOKJX-UHFFFAOYSA-N 2 2 328.464 1.097 20 0 EDADLP C[N@@H+](CCN1CC[NH+](CCc2cn[nH]n2)CC1)Cc1ccccc1 ZINC000659911917 452801481 /nfs/dbraw/zinc/80/14/81/452801481.db2.gz JYVFKDFVRCOKJX-UHFFFAOYSA-N 2 2 328.464 1.097 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc2ccccc2n1 ZINC000664127639 452807517 /nfs/dbraw/zinc/80/75/17/452807517.db2.gz VQVUJBUUDHVCRB-UHFFFAOYSA-N 2 2 343.475 1.918 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc2ccccc2n1 ZINC000664127639 452807528 /nfs/dbraw/zinc/80/75/28/452807528.db2.gz VQVUJBUUDHVCRB-UHFFFAOYSA-N 2 2 343.475 1.918 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(-n2cnnn2)c1 ZINC000658292200 452833673 /nfs/dbraw/zinc/83/36/73/452833673.db2.gz QMLDBWHRPJUJPN-KDOFPFPSSA-N 2 2 342.447 1.566 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000662102867 452844257 /nfs/dbraw/zinc/84/42/57/452844257.db2.gz ZIXKBJOJGNVHBS-AWEZNQCLSA-N 2 2 337.468 1.670 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000664217291 452893265 /nfs/dbraw/zinc/89/32/65/452893265.db2.gz CXAGOWCMMDJUFT-IEBWSBKVSA-N 2 2 332.492 1.899 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000664217291 452893272 /nfs/dbraw/zinc/89/32/72/452893272.db2.gz CXAGOWCMMDJUFT-IEBWSBKVSA-N 2 2 332.492 1.899 20 0 EDADLP C[C@@H](O)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000666482961 452899867 /nfs/dbraw/zinc/89/98/67/452899867.db2.gz SPZZLQLKVPKXBP-VQIMIIECSA-N 2 2 334.460 1.743 20 0 EDADLP CCc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000658426129 452953295 /nfs/dbraw/zinc/95/32/95/452953295.db2.gz FUXSXDGHFDPEIQ-UHFFFAOYSA-N 2 2 334.464 1.187 20 0 EDADLP CCc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000658426129 452953301 /nfs/dbraw/zinc/95/33/01/452953301.db2.gz FUXSXDGHFDPEIQ-UHFFFAOYSA-N 2 2 334.464 1.187 20 0 EDADLP [NH3+]Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)o1 ZINC000645968951 452954000 /nfs/dbraw/zinc/95/40/00/452954000.db2.gz NWNUTWYFEBELLX-MRXNPFEDSA-N 2 2 343.427 1.412 20 0 EDADLP C[C@H](c1nc2ccccc2s1)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662263109 452994780 /nfs/dbraw/zinc/99/47/80/452994780.db2.gz KUEPZYNKDIFOCA-CABCVRRESA-N 2 2 346.500 1.963 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4c([nH]3)CCCC4)C2)CC1 ZINC000648316130 452999452 /nfs/dbraw/zinc/99/94/52/452999452.db2.gz HKGAWPKRLQJUJR-HNNXBMFYSA-N 2 2 330.476 1.792 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4c([nH]3)CCCC4)C2)CC1 ZINC000648316130 452999458 /nfs/dbraw/zinc/99/94/58/452999458.db2.gz HKGAWPKRLQJUJR-HNNXBMFYSA-N 2 2 330.476 1.792 20 0 EDADLP c1ncn(-c2ccccc2C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000656281544 453007850 /nfs/dbraw/zinc/00/78/50/453007850.db2.gz ZURHPRLVFJKHHO-SFHVURJKSA-N 2 2 341.459 1.954 20 0 EDADLP c1ncn(-c2ccccc2C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000656281544 453007859 /nfs/dbraw/zinc/00/78/59/453007859.db2.gz ZURHPRLVFJKHHO-SFHVURJKSA-N 2 2 341.459 1.954 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318600 453035146 /nfs/dbraw/zinc/03/51/46/453035146.db2.gz CHVLMPYCYQFWBZ-ROUUACIJSA-N 2 2 333.476 1.859 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318600 453035151 /nfs/dbraw/zinc/03/51/51/453035151.db2.gz CHVLMPYCYQFWBZ-ROUUACIJSA-N 2 2 333.476 1.859 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652881747 453038477 /nfs/dbraw/zinc/03/84/77/453038477.db2.gz CWSXDJCNRUBOSD-SFHVURJKSA-N 2 2 326.444 1.738 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652881747 453038481 /nfs/dbraw/zinc/03/84/81/453038481.db2.gz CWSXDJCNRUBOSD-SFHVURJKSA-N 2 2 326.444 1.738 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000652883284 453042853 /nfs/dbraw/zinc/04/28/53/453042853.db2.gz KXTDTMGXWKNKPO-IBGZPJMESA-N 2 2 344.503 1.009 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000652883284 453042868 /nfs/dbraw/zinc/04/28/68/453042868.db2.gz KXTDTMGXWKNKPO-IBGZPJMESA-N 2 2 344.503 1.009 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662324580 453043518 /nfs/dbraw/zinc/04/35/18/453043518.db2.gz YQJOBTCDHYTOAZ-GOSISDBHSA-N 2 2 333.476 1.931 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662324580 453043526 /nfs/dbraw/zinc/04/35/26/453043526.db2.gz YQJOBTCDHYTOAZ-GOSISDBHSA-N 2 2 333.476 1.931 20 0 EDADLP C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@](C)(C(F)F)O1 ZINC000662335766 453052890 /nfs/dbraw/zinc/05/28/90/453052890.db2.gz QOZYNWUHHHKTIG-NZUILWFCSA-N 2 2 328.403 1.662 20 0 EDADLP C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@](C)(C(F)F)O1 ZINC000662335766 453052896 /nfs/dbraw/zinc/05/28/96/453052896.db2.gz QOZYNWUHHHKTIG-NZUILWFCSA-N 2 2 328.403 1.662 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000658531932 453085381 /nfs/dbraw/zinc/08/53/81/453085381.db2.gz JFCMZAPLEYFBHV-GJZGRUSLSA-N 2 2 347.463 1.036 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000658531932 453085389 /nfs/dbraw/zinc/08/53/89/453085389.db2.gz JFCMZAPLEYFBHV-GJZGRUSLSA-N 2 2 347.463 1.036 20 0 EDADLP CCC(CC)(CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000644161354 453092515 /nfs/dbraw/zinc/09/25/15/453092515.db2.gz PKIHOIPVZORYBV-OAHLLOKOSA-N 2 2 340.512 1.659 20 0 EDADLP CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000644161354 453092522 /nfs/dbraw/zinc/09/25/22/453092522.db2.gz PKIHOIPVZORYBV-OAHLLOKOSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000646095675 453100457 /nfs/dbraw/zinc/10/04/57/453100457.db2.gz VYEKHACCZGYKRF-CYBMUJFWSA-N 2 2 325.840 1.521 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103204 453103946 /nfs/dbraw/zinc/10/39/46/453103946.db2.gz IXNWGNNDOZZVIR-BRWVUGGUSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103204 453103948 /nfs/dbraw/zinc/10/39/48/453103948.db2.gz IXNWGNNDOZZVIR-BRWVUGGUSA-N 2 2 337.508 1.676 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000666734403 453105176 /nfs/dbraw/zinc/10/51/76/453105176.db2.gz PAQFDTPRDNQLDF-AWEZNQCLSA-N 2 2 345.447 1.029 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000650966639 453147393 /nfs/dbraw/zinc/14/73/93/453147393.db2.gz RDKSEDNKCKXCIR-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000650966639 453147396 /nfs/dbraw/zinc/14/73/96/453147396.db2.gz RDKSEDNKCKXCIR-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000650966639 453147402 /nfs/dbraw/zinc/14/74/02/453147402.db2.gz RDKSEDNKCKXCIR-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000650966639 453147407 /nfs/dbraw/zinc/14/74/07/453147407.db2.gz RDKSEDNKCKXCIR-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000650984059 453161794 /nfs/dbraw/zinc/16/17/94/453161794.db2.gz GSCRJLFBQGPAOL-QZTJIDSGSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000650984059 453161800 /nfs/dbraw/zinc/16/18/00/453161800.db2.gz GSCRJLFBQGPAOL-QZTJIDSGSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000650984059 453161806 /nfs/dbraw/zinc/16/18/06/453161806.db2.gz GSCRJLFBQGPAOL-QZTJIDSGSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000650984059 453161811 /nfs/dbraw/zinc/16/18/11/453161811.db2.gz GSCRJLFBQGPAOL-QZTJIDSGSA-N 2 2 346.475 1.009 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000660269285 453163041 /nfs/dbraw/zinc/16/30/41/453163041.db2.gz DBHJEEJWQIJJEW-SFHVURJKSA-N 2 2 346.475 1.263 20 0 EDADLP C[C@@H]1COC2(CCC2)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537254 453175670 /nfs/dbraw/zinc/17/56/70/453175670.db2.gz IMEXTKCIYVQTDE-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000648716162 453205396 /nfs/dbraw/zinc/20/53/96/453205396.db2.gz YMCSTTHBECCKMJ-HZPDHXFCSA-N 2 2 334.464 1.720 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@]3(C)CCC[NH2+]C3)cn21 ZINC000646203293 453214522 /nfs/dbraw/zinc/21/45/22/453214522.db2.gz BOKDYVDNADTAPU-GOSISDBHSA-N 2 2 329.448 1.874 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000648732788 453218647 /nfs/dbraw/zinc/21/86/47/453218647.db2.gz PYFGEIFHNYKARF-INIZCTEOSA-N 2 2 335.496 1.540 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000648732788 453218649 /nfs/dbraw/zinc/21/86/49/453218649.db2.gz PYFGEIFHNYKARF-INIZCTEOSA-N 2 2 335.496 1.540 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000660338711 453228834 /nfs/dbraw/zinc/22/88/34/453228834.db2.gz DIVNLTHWSUXTAL-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000660338711 453228850 /nfs/dbraw/zinc/22/88/50/453228850.db2.gz DIVNLTHWSUXTAL-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000653061934 453238265 /nfs/dbraw/zinc/23/82/65/453238265.db2.gz GLTLPOHBKPIVKQ-AWEZNQCLSA-N 2 2 345.447 1.184 20 0 EDADLP CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653068518 453246034 /nfs/dbraw/zinc/24/60/34/453246034.db2.gz GZOCJVBZOYMWSE-CJNGLKHVSA-N 2 2 334.464 1.110 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cn21 ZINC000646235027 453246873 /nfs/dbraw/zinc/24/68/73/453246873.db2.gz YWPPRRNZFYVYAB-HIFRSBDPSA-N 2 2 329.448 1.812 20 0 EDADLP COc1cc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1OC(C)C ZINC000653069044 453247973 /nfs/dbraw/zinc/24/79/73/453247973.db2.gz ACUTYOWYFYAFBO-HIFRSBDPSA-N 2 2 337.464 1.939 20 0 EDADLP c1ccc(C[N@H+]2CC[C@@H]2CNc2nc(N3CCOCC3)cc[nH+]2)cc1 ZINC000664631435 453267693 /nfs/dbraw/zinc/26/76/93/453267693.db2.gz LAMTUOMDQCHTNU-QGZVFWFLSA-N 2 2 339.443 2.000 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@@H]2CNc2nc(N3CCOCC3)cc[nH+]2)cc1 ZINC000664631435 453267697 /nfs/dbraw/zinc/26/76/97/453267697.db2.gz LAMTUOMDQCHTNU-QGZVFWFLSA-N 2 2 339.443 2.000 20 0 EDADLP Cc1csc([C@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664647857 453284712 /nfs/dbraw/zinc/28/47/12/453284712.db2.gz VCSBTVQZSOLJBS-CYBMUJFWSA-N 2 2 341.525 1.738 20 0 EDADLP Cc1csc([C@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664647857 453284717 /nfs/dbraw/zinc/28/47/17/453284717.db2.gz VCSBTVQZSOLJBS-CYBMUJFWSA-N 2 2 341.525 1.738 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000648798583 453284733 /nfs/dbraw/zinc/28/47/33/453284733.db2.gz OKNBNCLZXBLSFC-CVEARBPZSA-N 2 2 334.464 1.720 20 0 EDADLP CCc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n2)cc1 ZINC000653104661 453285435 /nfs/dbraw/zinc/28/54/35/453285435.db2.gz OVBUEPTUGGETGL-DOMZBBRYSA-N 2 2 345.447 1.755 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]CC3)CC2)cc1F ZINC000653106044 453288166 /nfs/dbraw/zinc/28/81/66/453288166.db2.gz QVJVAZVDIXRIHG-INIZCTEOSA-N 2 2 349.450 1.868 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653111284 453297814 /nfs/dbraw/zinc/29/78/14/453297814.db2.gz KNQNIVMDBPLCFT-IRXDYDNUSA-N 2 2 332.448 1.466 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC1CCN(CC(F)(F)F)CC1 ZINC000653123121 453314899 /nfs/dbraw/zinc/31/48/99/453314899.db2.gz OBYSPUQZDPDIDY-CYBMUJFWSA-N 2 2 338.418 1.046 20 0 EDADLP C[C@@H](CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)[NH+](C)C ZINC000656681837 453363331 /nfs/dbraw/zinc/36/33/31/453363331.db2.gz MOYOVZFZZACQND-GXFFZTMASA-N 2 2 328.254 1.905 20 0 EDADLP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000653150131 453337980 /nfs/dbraw/zinc/33/79/80/453337980.db2.gz RZDHRFONLICXDL-HZPDHXFCSA-N 2 2 334.489 1.708 20 0 EDADLP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000653150131 453337985 /nfs/dbraw/zinc/33/79/85/453337985.db2.gz RZDHRFONLICXDL-HZPDHXFCSA-N 2 2 334.489 1.708 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660498465 453352116 /nfs/dbraw/zinc/35/21/16/453352116.db2.gz QSODQYNGWBWGJK-GOEBONIOSA-N 2 2 342.505 1.832 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660498465 453352126 /nfs/dbraw/zinc/35/21/26/453352126.db2.gz QSODQYNGWBWGJK-GOEBONIOSA-N 2 2 342.505 1.832 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000653159178 453353221 /nfs/dbraw/zinc/35/32/21/453353221.db2.gz WORCBJGBUYDLDU-UONOGXRCSA-N 2 2 325.840 1.949 20 0 EDADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656694329 453369004 /nfs/dbraw/zinc/36/90/04/453369004.db2.gz OFGJOJBUMNDBJJ-WOJBJXKFSA-N 2 2 349.519 1.659 20 0 EDADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000656694329 453369009 /nfs/dbraw/zinc/36/90/09/453369009.db2.gz OFGJOJBUMNDBJJ-WOJBJXKFSA-N 2 2 349.519 1.659 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656702025 453378219 /nfs/dbraw/zinc/37/82/19/453378219.db2.gz ITGJUJZUOKVQEL-IAGOWNOFSA-N 2 2 349.475 1.847 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656702025 453378229 /nfs/dbraw/zinc/37/82/29/453378229.db2.gz ITGJUJZUOKVQEL-IAGOWNOFSA-N 2 2 349.475 1.847 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)on1 ZINC000662665194 453380482 /nfs/dbraw/zinc/38/04/82/453380482.db2.gz GNTZPNJLLUTBIS-UHFFFAOYSA-N 2 2 334.445 1.888 20 0 EDADLP COC[C@H](CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)OC ZINC000656706535 453384630 /nfs/dbraw/zinc/38/46/30/453384630.db2.gz YFUPNUSGXCLCGK-HOTGVXAUSA-N 2 2 335.448 1.655 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662671704 453386695 /nfs/dbraw/zinc/38/66/95/453386695.db2.gz OXCOQPFYUZRPGN-FUHWJXTLSA-N 2 2 347.459 1.012 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000653215211 453405677 /nfs/dbraw/zinc/40/56/77/453405677.db2.gz OSIHSQRZRNYMOD-SFHVURJKSA-N 2 2 331.460 1.666 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000653215211 453405686 /nfs/dbraw/zinc/40/56/86/453405686.db2.gz OSIHSQRZRNYMOD-SFHVURJKSA-N 2 2 331.460 1.666 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3([NH2+]C4CC4)CCC3)CC2)CC1 ZINC000662699677 453420565 /nfs/dbraw/zinc/42/05/65/453420565.db2.gz FOIVRGVZBYTXMX-UHFFFAOYSA-N 3 2 334.508 1.336 20 0 EDADLP [NH3+][C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)cccc1F ZINC000662710959 453434326 /nfs/dbraw/zinc/43/43/26/453434326.db2.gz ZUPUKDQSRKITPS-MLGOLLRUSA-N 2 2 339.386 1.334 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662713340 453437322 /nfs/dbraw/zinc/43/73/22/453437322.db2.gz YXDAOIOITHLNAD-DOMZBBRYSA-N 2 2 327.375 1.192 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662713340 453437330 /nfs/dbraw/zinc/43/73/30/453437330.db2.gz YXDAOIOITHLNAD-DOMZBBRYSA-N 2 2 327.375 1.192 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc2c[nH]nc2c1 ZINC000664849786 453445945 /nfs/dbraw/zinc/44/59/45/453445945.db2.gz HYUXHGJWXYPPSE-UHFFFAOYSA-N 2 2 346.479 1.288 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc2c[nH]nc2c1 ZINC000664849786 453445950 /nfs/dbraw/zinc/44/59/50/453445950.db2.gz HYUXHGJWXYPPSE-UHFFFAOYSA-N 2 2 346.479 1.288 20 0 EDADLP CN(CC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651327128 453472019 /nfs/dbraw/zinc/47/20/19/453472019.db2.gz VCHGBVMKXIDILL-MRXNPFEDSA-N 2 2 329.448 1.907 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000660642259 453483593 /nfs/dbraw/zinc/48/35/93/453483593.db2.gz OHSJBJZESXUVIJ-QGZVFWFLSA-N 2 2 337.489 1.512 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000660642259 453483596 /nfs/dbraw/zinc/48/35/96/453483596.db2.gz OHSJBJZESXUVIJ-QGZVFWFLSA-N 2 2 337.489 1.512 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000660642259 453483599 /nfs/dbraw/zinc/48/35/99/453483599.db2.gz OHSJBJZESXUVIJ-QGZVFWFLSA-N 2 2 337.489 1.512 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000660642259 453483604 /nfs/dbraw/zinc/48/36/04/453483604.db2.gz OHSJBJZESXUVIJ-QGZVFWFLSA-N 2 2 337.489 1.512 20 0 EDADLP C[C@H]1NC(=O)N(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1=O ZINC000660680940 453508533 /nfs/dbraw/zinc/50/85/33/453508533.db2.gz YAPAAZPKYCERLR-CQSZACIVSA-N 2 2 330.432 1.181 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccn1C ZINC000667250993 453511609 /nfs/dbraw/zinc/51/16/09/453511609.db2.gz AJYPPWZZRCBZSB-GDBMZVCRSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccn1C ZINC000667250993 453511617 /nfs/dbraw/zinc/51/16/17/453511617.db2.gz AJYPPWZZRCBZSB-GDBMZVCRSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1[nH+]ccn1C ZINC000667254838 453514442 /nfs/dbraw/zinc/51/44/42/453514442.db2.gz BNCCTHKJSWRIAU-CVEARBPZSA-N 2 2 348.495 1.293 20 0 EDADLP C[C@@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1[nH+]ccn1C ZINC000667254838 453514447 /nfs/dbraw/zinc/51/44/47/453514447.db2.gz BNCCTHKJSWRIAU-CVEARBPZSA-N 2 2 348.495 1.293 20 0 EDADLP CNC(=O)c1cccc(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000660695541 453520968 /nfs/dbraw/zinc/52/09/68/453520968.db2.gz RCSMOGXQHDEBRM-UHFFFAOYSA-N 2 2 333.476 1.619 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655446544 453533291 /nfs/dbraw/zinc/53/32/91/453533291.db2.gz FRVWZOPLBYTXQG-XLIONFOSSA-N 2 2 343.471 1.729 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCOC2(CCC2)C1 ZINC000665019367 453543551 /nfs/dbraw/zinc/54/35/51/453543551.db2.gz BAWBQOPMYCRUET-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCOC2(CCC2)C1 ZINC000665019367 453543560 /nfs/dbraw/zinc/54/35/60/453543560.db2.gz BAWBQOPMYCRUET-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP [NH3+][C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000662850665 453571275 /nfs/dbraw/zinc/57/12/75/453571275.db2.gz SBEVJGPUYFRGIX-FGTMMUONSA-N 2 2 329.444 1.226 20 0 EDADLP [NH3+][C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C1CCC1 ZINC000662850665 453571278 /nfs/dbraw/zinc/57/12/78/453571278.db2.gz SBEVJGPUYFRGIX-FGTMMUONSA-N 2 2 329.444 1.226 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1([NH3+])CCCC1 ZINC000659004456 453576572 /nfs/dbraw/zinc/57/65/72/453576572.db2.gz OBIGBKRHQQRMRY-UHFFFAOYSA-N 2 2 333.436 1.620 20 0 EDADLP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899407 453593322 /nfs/dbraw/zinc/59/33/22/453593322.db2.gz CMXJCDHRUXURKO-SJORKVTESA-N 3 2 334.508 1.003 20 0 EDADLP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899407 453593326 /nfs/dbraw/zinc/59/33/26/453593326.db2.gz CMXJCDHRUXURKO-SJORKVTESA-N 3 2 334.508 1.003 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1N ZINC000662900416 453593740 /nfs/dbraw/zinc/59/37/40/453593740.db2.gz LMCZJPCQYRYLOH-QGZVFWFLSA-N 2 2 330.476 1.818 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1N ZINC000662900416 453593742 /nfs/dbraw/zinc/59/37/42/453593742.db2.gz LMCZJPCQYRYLOH-QGZVFWFLSA-N 2 2 330.476 1.818 20 0 EDADLP COc1ccc(N2C[C@@H]([NH2+][C@H](C)c3c[nH+]ccc3N)CC2=O)cc1 ZINC000665240831 453621280 /nfs/dbraw/zinc/62/12/80/453621280.db2.gz TYNFIUSEUOMRBR-OLZOCXBDSA-N 2 2 326.400 1.959 20 0 EDADLP CN(C)C(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000665250969 453624173 /nfs/dbraw/zinc/62/41/73/453624173.db2.gz DGYIEDOMQLVKIT-QZTJIDSGSA-N 2 2 330.476 1.868 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCc1cccs1 ZINC000657071116 453661138 /nfs/dbraw/zinc/66/11/38/453661138.db2.gz FPGZUJTWFSUSFF-AWEZNQCLSA-N 2 2 347.550 1.482 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCc1cccs1 ZINC000657071116 453661140 /nfs/dbraw/zinc/66/11/40/453661140.db2.gz FPGZUJTWFSUSFF-AWEZNQCLSA-N 2 2 347.550 1.482 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000665462380 453701329 /nfs/dbraw/zinc/70/13/29/453701329.db2.gz KPCOSQMKMUGUDU-FUHWJXTLSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000665462380 453701336 /nfs/dbraw/zinc/70/13/36/453701336.db2.gz KPCOSQMKMUGUDU-FUHWJXTLSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663303697 453762590 /nfs/dbraw/zinc/76/25/90/453762590.db2.gz JEVZOCHTTQEFMB-GOEBONIOSA-N 2 2 347.459 1.865 20 0 EDADLP CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657327078 453766528 /nfs/dbraw/zinc/76/65/28/453766528.db2.gz RUAZOJIBZUSGMQ-UHFFFAOYSA-N 2 2 334.445 1.168 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000657370703 453776255 /nfs/dbraw/zinc/77/62/55/453776255.db2.gz DXUOSTFJQFEOQS-PXNSSMCTSA-N 2 2 340.471 1.802 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000657370703 453776256 /nfs/dbraw/zinc/77/62/56/453776256.db2.gz DXUOSTFJQFEOQS-PXNSSMCTSA-N 2 2 340.471 1.802 20 0 EDADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2c(OC)cccc2OC)C1 ZINC000663364798 453780727 /nfs/dbraw/zinc/78/07/27/453780727.db2.gz LSOWSWBJCKBVKF-CABCVRRESA-N 2 2 338.448 1.517 20 0 EDADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2c(OC)cccc2OC)C1 ZINC000663364798 453780730 /nfs/dbraw/zinc/78/07/30/453780730.db2.gz LSOWSWBJCKBVKF-CABCVRRESA-N 2 2 338.448 1.517 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000663373042 453783087 /nfs/dbraw/zinc/78/30/87/453783087.db2.gz WSYLNLIWLBPGBH-JKSUJKDBSA-N 2 2 345.409 1.706 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000663373042 453783091 /nfs/dbraw/zinc/78/30/91/453783091.db2.gz WSYLNLIWLBPGBH-JKSUJKDBSA-N 2 2 345.409 1.706 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NCCC[NH+](C)C)C1 ZINC000663408675 453791437 /nfs/dbraw/zinc/79/14/37/453791437.db2.gz GKGIXCKXRUKWQG-GOSISDBHSA-N 2 2 347.507 1.054 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NCCC[NH+](C)C)C1 ZINC000663408675 453791438 /nfs/dbraw/zinc/79/14/38/453791438.db2.gz GKGIXCKXRUKWQG-GOSISDBHSA-N 2 2 347.507 1.054 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000663438628 453798620 /nfs/dbraw/zinc/79/86/20/453798620.db2.gz UARRZSGMFGVKIP-FUHWJXTLSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000663438628 453798623 /nfs/dbraw/zinc/79/86/23/453798623.db2.gz UARRZSGMFGVKIP-FUHWJXTLSA-N 2 2 348.491 1.527 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3cncc4ncnn43)CC2)CC1 ZINC000679929928 486675358 /nfs/dbraw/zinc/67/53/58/486675358.db2.gz DAMVMSPSEKQGPF-UHFFFAOYSA-N 2 2 329.452 1.119 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCCS3)C2)CC1 ZINC000680083119 486702667 /nfs/dbraw/zinc/70/26/67/486702667.db2.gz CGKZYHFIIIOTDL-HOCLYGCPSA-N 2 2 340.537 1.740 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCCS3)C2)CC1 ZINC000680083119 486702669 /nfs/dbraw/zinc/70/26/69/486702669.db2.gz CGKZYHFIIIOTDL-HOCLYGCPSA-N 2 2 340.537 1.740 20 0 EDADLP C[C@H]1CCN(c2nc(N3CCOCC3)cc[nH+]2)C[C@H]1n1cc[nH+]c1 ZINC000676314103 486735189 /nfs/dbraw/zinc/73/51/89/486735189.db2.gz YHMCVNABUSSULA-LSDHHAIUSA-N 2 2 328.420 1.597 20 0 EDADLP O=C(CC[N@@H+]1CCC12CCOCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000683524485 486743829 /nfs/dbraw/zinc/74/38/29/486743829.db2.gz ANNLZMVGCTWNSQ-UHFFFAOYSA-N 2 2 344.459 1.375 20 0 EDADLP O=C(CC[N@H+]1CCC12CCOCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000683524485 486743833 /nfs/dbraw/zinc/74/38/33/486743833.db2.gz ANNLZMVGCTWNSQ-UHFFFAOYSA-N 2 2 344.459 1.375 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415643615 486761465 /nfs/dbraw/zinc/76/14/65/486761465.db2.gz JKDMBAQFFRNHQZ-CHWSQXEVSA-N 2 2 327.388 1.197 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000680397309 486767869 /nfs/dbraw/zinc/76/78/69/486767869.db2.gz JXJFSDHYWOYQOC-MRXNPFEDSA-N 2 2 331.464 1.334 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000680397309 486767872 /nfs/dbraw/zinc/76/78/72/486767872.db2.gz JXJFSDHYWOYQOC-MRXNPFEDSA-N 2 2 331.464 1.334 20 0 EDADLP C[NH2+]CCN(C)C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000417855531 486816024 /nfs/dbraw/zinc/81/60/24/486816024.db2.gz VIHJOWZUCXGXFN-UHFFFAOYSA-N 2 2 329.448 1.877 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)cc[nH+]1 ZINC000680610854 486829550 /nfs/dbraw/zinc/82/95/50/486829550.db2.gz YIUPBAPBBBQXRI-INIZCTEOSA-N 2 2 344.463 1.101 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)cc[nH+]1 ZINC000680610854 486829554 /nfs/dbraw/zinc/82/95/54/486829554.db2.gz YIUPBAPBBBQXRI-INIZCTEOSA-N 2 2 344.463 1.101 20 0 EDADLP CN(C(=O)[C@H]1CCn2ccnc2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676700869 486846002 /nfs/dbraw/zinc/84/60/02/486846002.db2.gz AZYFWBFTWCRGNJ-DOTOQJQBSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCn2ccnc2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676700869 486846007 /nfs/dbraw/zinc/84/60/07/486846007.db2.gz AZYFWBFTWCRGNJ-DOTOQJQBSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676700869 486846012 /nfs/dbraw/zinc/84/60/12/486846012.db2.gz AZYFWBFTWCRGNJ-DOTOQJQBSA-N 3 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676700869 486846018 /nfs/dbraw/zinc/84/60/18/486846018.db2.gz AZYFWBFTWCRGNJ-DOTOQJQBSA-N 3 2 345.491 1.072 20 0 EDADLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000667642209 486895483 /nfs/dbraw/zinc/89/54/83/486895483.db2.gz SIQBHJOZDKNGSX-MAUKXSAKSA-N 2 2 337.508 1.866 20 0 EDADLP COCc1cncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000680928026 486896595 /nfs/dbraw/zinc/89/65/95/486896595.db2.gz YZHBUVVQVYLATN-UHFFFAOYSA-N 2 2 346.475 1.516 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)s1 ZINC000676839567 486898979 /nfs/dbraw/zinc/89/89/79/486898979.db2.gz NYNVBMREGBNDJN-CZUORRHYSA-N 2 2 338.521 1.817 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000683986419 486897565 /nfs/dbraw/zinc/89/75/65/486897565.db2.gz XKYKIADIKGXSOO-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](Cn1cccn1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681211148 486973085 /nfs/dbraw/zinc/97/30/85/486973085.db2.gz QUWNLOUESUVAKV-DOTOQJQBSA-N 2 2 348.495 1.082 20 0 EDADLP C[C@@H](Cn1cccn1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681211148 486973087 /nfs/dbraw/zinc/97/30/87/486973087.db2.gz QUWNLOUESUVAKV-DOTOQJQBSA-N 2 2 348.495 1.082 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000681216821 486977031 /nfs/dbraw/zinc/97/70/31/486977031.db2.gz AVVMCEVDFDPJOV-KRWDZBQOSA-N 2 2 346.479 1.095 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000681216821 486977036 /nfs/dbraw/zinc/97/70/36/486977036.db2.gz AVVMCEVDFDPJOV-KRWDZBQOSA-N 2 2 346.479 1.095 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@@H]1C ZINC000677218837 487013582 /nfs/dbraw/zinc/01/35/82/487013582.db2.gz UYAIGUDHTOYRCD-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@@H]1C ZINC000677218837 487013585 /nfs/dbraw/zinc/01/35/85/487013585.db2.gz UYAIGUDHTOYRCD-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@@H]1C ZINC000677218837 487013588 /nfs/dbraw/zinc/01/35/88/487013588.db2.gz UYAIGUDHTOYRCD-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@@H]1C ZINC000677218837 487013591 /nfs/dbraw/zinc/01/35/91/487013591.db2.gz UYAIGUDHTOYRCD-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000681357602 487023596 /nfs/dbraw/zinc/02/35/96/487023596.db2.gz DNFCXESGECIWCW-INIZCTEOSA-N 2 2 339.443 1.815 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000681357602 487023597 /nfs/dbraw/zinc/02/35/97/487023597.db2.gz DNFCXESGECIWCW-INIZCTEOSA-N 2 2 339.443 1.815 20 0 EDADLP Cc1ccncc1CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684375399 487041179 /nfs/dbraw/zinc/04/11/79/487041179.db2.gz KUQAHRZEXVQZGO-KRWDZBQOSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1ccncc1CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684375399 487041182 /nfs/dbraw/zinc/04/11/82/487041182.db2.gz KUQAHRZEXVQZGO-KRWDZBQOSA-N 2 2 345.491 1.700 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681553163 487084144 /nfs/dbraw/zinc/08/41/44/487084144.db2.gz KIPZSVGSHRMKDB-LSDHHAIUSA-N 2 2 332.448 1.063 20 0 EDADLP COCCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000677577414 487122558 /nfs/dbraw/zinc/12/25/58/487122558.db2.gz HSAYFQSOSFDWHK-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2[nH+]1 ZINC000668156841 487123435 /nfs/dbraw/zinc/12/34/35/487123435.db2.gz AMLRVBUJMATSOO-MRXNPFEDSA-N 2 2 343.431 1.971 20 0 EDADLP OCc1cn([C@H]2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nn1 ZINC000668193895 487137999 /nfs/dbraw/zinc/13/79/99/487137999.db2.gz SNKPHDXFEDPDKG-INIZCTEOSA-N 2 2 339.403 1.188 20 0 EDADLP OCc1cn([C@H]2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nn1 ZINC000668193895 487138000 /nfs/dbraw/zinc/13/80/00/487138000.db2.gz SNKPHDXFEDPDKG-INIZCTEOSA-N 2 2 339.403 1.188 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000673867525 487139180 /nfs/dbraw/zinc/13/91/80/487139180.db2.gz ONEBWUBDHLYSEY-OAHLLOKOSA-N 2 2 331.424 1.510 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)NCCCNc2cccc[nH+]2)cn1 ZINC000673869229 487140346 /nfs/dbraw/zinc/14/03/46/487140346.db2.gz NKRPHWJCLJMEQE-UHFFFAOYSA-N 2 2 331.424 1.463 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCO[C@@H]3C3CC3)C2)CC1 ZINC000677653223 487141726 /nfs/dbraw/zinc/14/17/26/487141726.db2.gz BKOSFOQQEQITHX-USXIJHARSA-N 2 2 336.480 1.022 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCO[C@@H]3C3CC3)C2)CC1 ZINC000677653223 487141731 /nfs/dbraw/zinc/14/17/31/487141731.db2.gz BKOSFOQQEQITHX-USXIJHARSA-N 2 2 336.480 1.022 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000677695159 487153406 /nfs/dbraw/zinc/15/34/06/487153406.db2.gz HUUWLKLETVBXHF-UHFFFAOYSA-N 2 2 336.443 1.987 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000674283745 487227863 /nfs/dbraw/zinc/22/78/63/487227863.db2.gz DNMXNAZYVDIAMX-AWEZNQCLSA-N 2 2 339.867 1.813 20 0 EDADLP COc1ccc(O)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681993302 487274164 /nfs/dbraw/zinc/27/41/64/487274164.db2.gz IGTAEZOPLQUPRZ-OAHLLOKOSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(O)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681993302 487274170 /nfs/dbraw/zinc/27/41/70/487274170.db2.gz IGTAEZOPLQUPRZ-OAHLLOKOSA-N 2 2 347.459 1.641 20 0 EDADLP CC1(C)CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1CCO ZINC000682050010 487294958 /nfs/dbraw/zinc/29/49/58/487294958.db2.gz XDCWUBXPOYERSQ-UHFFFAOYSA-N 2 2 344.419 1.188 20 0 EDADLP CC1(C)CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1CCO ZINC000682050010 487294962 /nfs/dbraw/zinc/29/49/62/487294962.db2.gz XDCWUBXPOYERSQ-UHFFFAOYSA-N 2 2 344.419 1.188 20 0 EDADLP CN(C)S(=O)(=O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685633630 487305845 /nfs/dbraw/zinc/30/58/45/487305845.db2.gz JKRZKEYIUMIKHT-MRXNPFEDSA-N 2 2 339.505 1.521 20 0 EDADLP CN(C)S(=O)(=O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685633630 487305849 /nfs/dbraw/zinc/30/58/49/487305849.db2.gz JKRZKEYIUMIKHT-MRXNPFEDSA-N 2 2 339.505 1.521 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000685734454 487316311 /nfs/dbraw/zinc/31/63/11/487316311.db2.gz YVXIWPCKHUPACV-CVEARBPZSA-N 3 2 345.491 1.039 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000685734454 487316315 /nfs/dbraw/zinc/31/63/15/487316315.db2.gz YVXIWPCKHUPACV-CVEARBPZSA-N 3 2 345.491 1.039 20 0 EDADLP CCC1(O)CCC([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000678547397 487331300 /nfs/dbraw/zinc/33/13/00/487331300.db2.gz FDVKXIHYLVFDHU-UHFFFAOYSA-N 2 2 339.524 1.456 20 0 EDADLP CCC1(O)CCC([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000678547397 487331304 /nfs/dbraw/zinc/33/13/04/487331304.db2.gz FDVKXIHYLVFDHU-UHFFFAOYSA-N 2 2 339.524 1.456 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000685846504 487332774 /nfs/dbraw/zinc/33/27/74/487332774.db2.gz GGNSLNMVIJSLCI-GOSISDBHSA-N 2 2 332.444 1.807 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@@H](C(=O)C3CC3)C2)cc1 ZINC000685846504 487332777 /nfs/dbraw/zinc/33/27/77/487332777.db2.gz GGNSLNMVIJSLCI-GOSISDBHSA-N 2 2 332.444 1.807 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000682515778 487380195 /nfs/dbraw/zinc/38/01/95/487380195.db2.gz WLZFZSNLYWADOQ-INMHGKMJSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000682515778 487380197 /nfs/dbraw/zinc/38/01/97/487380197.db2.gz WLZFZSNLYWADOQ-INMHGKMJSA-N 2 2 328.460 1.921 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](CO)O1 ZINC000682556957 487388218 /nfs/dbraw/zinc/38/82/18/487388218.db2.gz OFBLZVOURMNXEE-VQIMIIECSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](CO)O1 ZINC000682556957 487388221 /nfs/dbraw/zinc/38/82/21/487388221.db2.gz OFBLZVOURMNXEE-VQIMIIECSA-N 2 2 334.460 1.743 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC000675233564 487392012 /nfs/dbraw/zinc/39/20/12/487392012.db2.gz WUDXNMLTVZPZIW-GJZGRUSLSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC000675233564 487392013 /nfs/dbraw/zinc/39/20/13/487392013.db2.gz WUDXNMLTVZPZIW-GJZGRUSLSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1cnc(C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000675233564 487392015 /nfs/dbraw/zinc/39/20/15/487392015.db2.gz WUDXNMLTVZPZIW-GJZGRUSLSA-N 2 2 334.464 1.925 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](C)[NH+](C)C)cc2)CC1 ZINC000679116292 487393755 /nfs/dbraw/zinc/39/37/55/487393755.db2.gz WMIJFWGEQIHCTB-AWEZNQCLSA-N 2 2 332.448 1.239 20 0 EDADLP CCc1cnccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679295462 487410302 /nfs/dbraw/zinc/41/03/02/487410302.db2.gz QZFCQHXEASXEKZ-QGZVFWFLSA-N 2 2 345.491 1.612 20 0 EDADLP CCc1cnccc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679295462 487410303 /nfs/dbraw/zinc/41/03/03/487410303.db2.gz QZFCQHXEASXEKZ-QGZVFWFLSA-N 2 2 345.491 1.612 20 0 EDADLP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000679824664 487466481 /nfs/dbraw/zinc/46/64/81/487466481.db2.gz VBKSZXWGCVYAQB-INIZCTEOSA-N 2 2 334.445 1.789 20 0 EDADLP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000679824664 487466483 /nfs/dbraw/zinc/46/64/83/487466483.db2.gz VBKSZXWGCVYAQB-INIZCTEOSA-N 2 2 334.445 1.789 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000669224382 485830345 /nfs/dbraw/zinc/83/03/45/485830345.db2.gz VLZDGFRPOOPFHB-CABCVRRESA-N 2 2 346.475 1.664 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000669224382 485830352 /nfs/dbraw/zinc/83/03/52/485830352.db2.gz VLZDGFRPOOPFHB-CABCVRRESA-N 2 2 346.475 1.664 20 0 EDADLP C[N@@H+](Cc1ccccc1OCC(=O)N1CCCC1)CC1C[NH+](C)C1 ZINC000668537418 485862419 /nfs/dbraw/zinc/86/24/19/485862419.db2.gz FQWNCHNDGUCJLH-UHFFFAOYSA-N 2 2 331.460 1.681 20 0 EDADLP C[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)CC1C[NH+](C)C1 ZINC000668537418 485862424 /nfs/dbraw/zinc/86/24/24/485862424.db2.gz FQWNCHNDGUCJLH-UHFFFAOYSA-N 2 2 331.460 1.681 20 0 EDADLP CN(C(=O)c1ccc(CO)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616597 485954292 /nfs/dbraw/zinc/95/42/92/485954292.db2.gz FCRMUIYUJDGKCC-GOSISDBHSA-N 2 2 331.460 1.419 20 0 EDADLP CN(C(=O)c1ccc(CO)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616597 485954298 /nfs/dbraw/zinc/95/42/98/485954298.db2.gz FCRMUIYUJDGKCC-GOSISDBHSA-N 2 2 331.460 1.419 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000345632478 485978959 /nfs/dbraw/zinc/97/89/59/485978959.db2.gz MWPZASQSTVEDLN-AEFFLSMTSA-N 2 2 342.443 1.697 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cc(C4CC4)no3)C2)CC1 ZINC000668640276 485984532 /nfs/dbraw/zinc/98/45/32/485984532.db2.gz QRYOHNLEJCEOOS-AWEZNQCLSA-N 2 2 332.448 1.379 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cc(C4CC4)no3)C2)CC1 ZINC000668640276 485984539 /nfs/dbraw/zinc/98/45/39/485984539.db2.gz QRYOHNLEJCEOOS-AWEZNQCLSA-N 2 2 332.448 1.379 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-n4cncn4)c(F)c3)CC2)C1 ZINC000668741752 486113961 /nfs/dbraw/zinc/11/39/61/486113961.db2.gz ZUIYLXFQQZHFFR-MRXNPFEDSA-N 2 2 345.422 1.437 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-n4cncn4)c(F)c3)CC2)C1 ZINC000668741752 486113969 /nfs/dbraw/zinc/11/39/69/486113969.db2.gz ZUIYLXFQQZHFFR-MRXNPFEDSA-N 2 2 345.422 1.437 20 0 EDADLP [NH3+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000668745377 486119992 /nfs/dbraw/zinc/11/99/92/486119992.db2.gz VVRVRVQSQYZFFF-INIZCTEOSA-N 2 2 346.475 1.399 20 0 EDADLP COc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(OC)c1OC ZINC000668793785 486204323 /nfs/dbraw/zinc/20/43/23/486204323.db2.gz OHFIDSZXGYQQOS-UHFFFAOYSA-N 2 2 346.431 1.768 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC000670787446 486220125 /nfs/dbraw/zinc/22/01/25/486220125.db2.gz GQGLLKBOHOPVHL-HNNXBMFYSA-N 3 2 327.432 1.233 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC000670787446 486220127 /nfs/dbraw/zinc/22/01/27/486220127.db2.gz GQGLLKBOHOPVHL-HNNXBMFYSA-N 3 2 327.432 1.233 20 0 EDADLP O=C(NCC1C[NH2+]C1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000669474421 486228221 /nfs/dbraw/zinc/22/82/21/486228221.db2.gz CDWYSTAXRRHRAF-CYBMUJFWSA-N 2 2 338.402 1.448 20 0 EDADLP O=C(NCC1C[NH2+]C1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000669474421 486228227 /nfs/dbraw/zinc/22/82/27/486228227.db2.gz CDWYSTAXRRHRAF-CYBMUJFWSA-N 2 2 338.402 1.448 20 0 EDADLP O=C(NCC1CC[NH2+]CC1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000668849440 486258279 /nfs/dbraw/zinc/25/82/79/486258279.db2.gz FFTHXWIMFNFPCM-GOSISDBHSA-N 2 2 346.475 1.359 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000133116669 491219548 /nfs/dbraw/zinc/21/95/48/491219548.db2.gz FGNCMZJEWATNQU-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133116669 491219549 /nfs/dbraw/zinc/21/95/49/491219549.db2.gz FGNCMZJEWATNQU-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)n1C ZINC000073618604 491009041 /nfs/dbraw/zinc/00/90/41/491009041.db2.gz YYYVJEHGFOQARP-INIZCTEOSA-N 2 2 342.447 1.162 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)n1C ZINC000073618604 491009043 /nfs/dbraw/zinc/00/90/43/491009043.db2.gz YYYVJEHGFOQARP-INIZCTEOSA-N 2 2 342.447 1.162 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H](O)C1CC1 ZINC000079770919 491168327 /nfs/dbraw/zinc/16/83/27/491168327.db2.gz GBJXKWIDSGIFCX-SFHVURJKSA-N 2 2 331.460 1.034 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H](O)C1CC1 ZINC000079770919 491168330 /nfs/dbraw/zinc/16/83/30/491168330.db2.gz GBJXKWIDSGIFCX-SFHVURJKSA-N 2 2 331.460 1.034 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000183384389 534272705 /nfs/dbraw/zinc/27/27/05/534272705.db2.gz MCZCTWJKDQQXPE-AWEZNQCLSA-N 2 2 333.432 1.876 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000188038133 534743569 /nfs/dbraw/zinc/74/35/69/534743569.db2.gz ZVNMBTRSZSUWGE-UHFFFAOYSA-N 2 2 326.400 1.426 20 0 EDADLP CC(C)Cn1cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000332421955 534897293 /nfs/dbraw/zinc/89/72/93/534897293.db2.gz REWPNHPNWBRXAE-UHFFFAOYSA-N 2 2 343.479 1.717 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153940812 528057474 /nfs/dbraw/zinc/05/74/74/528057474.db2.gz SFUPZXSYFMJDGA-KSZLIROESA-N 2 2 338.540 1.734 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153940812 528057478 /nfs/dbraw/zinc/05/74/78/528057478.db2.gz SFUPZXSYFMJDGA-KSZLIROESA-N 2 2 338.540 1.734 20 0 EDADLP CC(C)[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000177941171 528908972 /nfs/dbraw/zinc/90/89/72/528908972.db2.gz YWSZZRXYDZLRTO-UHFFFAOYSA-N 2 2 325.478 1.095 20 0 EDADLP CC(C)[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000177941171 528908977 /nfs/dbraw/zinc/90/89/77/528908977.db2.gz YWSZZRXYDZLRTO-UHFFFAOYSA-N 2 2 325.478 1.095 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(Cc2cc(OC)cc(C)[nH+]2)CC1 ZINC000339832791 535431400 /nfs/dbraw/zinc/43/14/00/535431400.db2.gz IUMGZBGJBZILON-UHFFFAOYSA-N 2 2 334.464 1.385 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000104410399 535475268 /nfs/dbraw/zinc/47/52/68/535475268.db2.gz JEEVWFOWIDYVPG-MRXNPFEDSA-N 2 2 335.452 1.028 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000104410399 535475272 /nfs/dbraw/zinc/47/52/72/535475272.db2.gz JEEVWFOWIDYVPG-MRXNPFEDSA-N 2 2 335.452 1.028 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000262304281 535525800 /nfs/dbraw/zinc/52/58/00/535525800.db2.gz LWFZCVAOROQMJJ-GOSISDBHSA-N 2 2 337.439 1.996 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000076547471 535532537 /nfs/dbraw/zinc/53/25/37/535532537.db2.gz DOFGFNXGFNHLMA-UHFFFAOYSA-N 2 2 348.491 1.864 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000340046998 535564674 /nfs/dbraw/zinc/56/46/74/535564674.db2.gz ODIQGRRYILEODR-OAHLLOKOSA-N 2 2 343.493 1.678 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000247534045 535599669 /nfs/dbraw/zinc/59/96/69/535599669.db2.gz OMBRNTHETFSMJJ-HUUCEWRRSA-N 2 2 326.485 1.520 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000247534045 535599672 /nfs/dbraw/zinc/59/96/72/535599672.db2.gz OMBRNTHETFSMJJ-HUUCEWRRSA-N 2 2 326.485 1.520 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000246230305 535838336 /nfs/dbraw/zinc/83/83/36/535838336.db2.gz HTHIMWNHIUSWMI-BMGDILEWSA-N 2 2 331.460 1.005 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000246230305 535838341 /nfs/dbraw/zinc/83/83/41/535838341.db2.gz HTHIMWNHIUSWMI-BMGDILEWSA-N 2 2 331.460 1.005 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000237029419 535951525 /nfs/dbraw/zinc/95/15/25/535951525.db2.gz NRPXLXIGKVDENJ-UGSOOPFHSA-N 2 2 349.475 1.552 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000237029419 535951530 /nfs/dbraw/zinc/95/15/30/535951530.db2.gz NRPXLXIGKVDENJ-UGSOOPFHSA-N 2 2 349.475 1.552 20 0 EDADLP CN(C(=O)CCc1[nH]cc[nH+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000346342576 535981723 /nfs/dbraw/zinc/98/17/23/535981723.db2.gz WBBMIQAKCZTKGT-UHFFFAOYSA-N 2 2 341.459 1.903 20 0 EDADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346317880 536323378 /nfs/dbraw/zinc/32/33/78/536323378.db2.gz JZVVUFXAFBOINL-SFHVURJKSA-N 2 2 346.475 1.477 20 0 EDADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1COCC[N@H+]1C ZINC000346317880 536323382 /nfs/dbraw/zinc/32/33/82/536323382.db2.gz JZVVUFXAFBOINL-SFHVURJKSA-N 2 2 346.475 1.477 20 0 EDADLP C[NH2+][C@H](C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cnn(C)c1 ZINC000262418859 536384251 /nfs/dbraw/zinc/38/42/51/536384251.db2.gz ROQKZZZKNWJEBH-AWEZNQCLSA-N 2 2 332.795 1.298 20 0 EDADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000248821042 536513995 /nfs/dbraw/zinc/51/39/95/536513995.db2.gz FPJRJNOFGSYFGO-SJORKVTESA-N 2 2 329.400 1.943 20 0 EDADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000248821042 536513998 /nfs/dbraw/zinc/51/39/98/536513998.db2.gz FPJRJNOFGSYFGO-SJORKVTESA-N 2 2 329.400 1.943 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252190998 536565400 /nfs/dbraw/zinc/56/54/00/536565400.db2.gz RPXFWWLOQOGHGC-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP COCCCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000252190998 536565403 /nfs/dbraw/zinc/56/54/03/536565403.db2.gz RPXFWWLOQOGHGC-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP COCCCNC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000252190998 536565404 /nfs/dbraw/zinc/56/54/04/536565404.db2.gz RPXFWWLOQOGHGC-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP COCCCNC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000252190998 536565407 /nfs/dbraw/zinc/56/54/07/536565407.db2.gz RPXFWWLOQOGHGC-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)c1C ZINC000743205912 579473063 /nfs/dbraw/zinc/47/30/63/579473063.db2.gz VMUVVRRFFPACDO-UHFFFAOYSA-N 2 2 346.435 1.787 20 0 EDADLP C[C@H]1C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@@H]1c1ccccc1 ZINC000743395438 579478832 /nfs/dbraw/zinc/47/88/32/579478832.db2.gz RWFNGHVENUOLFY-HOCLYGCPSA-N 2 2 342.443 1.653 20 0 EDADLP C[C@H]1C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@@H]1c1ccccc1 ZINC000743395438 579478833 /nfs/dbraw/zinc/47/88/33/579478833.db2.gz RWFNGHVENUOLFY-HOCLYGCPSA-N 2 2 342.443 1.653 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000726254439 578338369 /nfs/dbraw/zinc/33/83/69/578338369.db2.gz GPVBYFNIXRDBAI-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000726254439 578338370 /nfs/dbraw/zinc/33/83/70/578338370.db2.gz GPVBYFNIXRDBAI-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)CCO1 ZINC000726258295 578339747 /nfs/dbraw/zinc/33/97/47/578339747.db2.gz WEBKXAJATIKMFG-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)CCO1 ZINC000726258295 578339748 /nfs/dbraw/zinc/33/97/48/578339748.db2.gz WEBKXAJATIKMFG-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000726258295 578339749 /nfs/dbraw/zinc/33/97/49/578339749.db2.gz WEBKXAJATIKMFG-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000726258295 578339750 /nfs/dbraw/zinc/33/97/50/578339750.db2.gz WEBKXAJATIKMFG-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000727830958 578539305 /nfs/dbraw/zinc/53/93/05/578539305.db2.gz YEUIJXPXLPCTAU-OAHLLOKOSA-N 2 2 341.477 1.267 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000727830958 578539306 /nfs/dbraw/zinc/53/93/06/578539306.db2.gz YEUIJXPXLPCTAU-OAHLLOKOSA-N 2 2 341.477 1.267 20 0 EDADLP O=C1C[C@@]2(CCSC2)C(=O)N1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738149914 578581531 /nfs/dbraw/zinc/58/15/31/578581531.db2.gz SRTCKXKJYVGPPJ-XJKSGUPXSA-N 2 2 334.445 1.360 20 0 EDADLP O=C1C[C@@]2(CCSC2)C(=O)N1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738149914 578581532 /nfs/dbraw/zinc/58/15/32/578581532.db2.gz SRTCKXKJYVGPPJ-XJKSGUPXSA-N 2 2 334.445 1.360 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729620404 578585253 /nfs/dbraw/zinc/58/52/53/578585253.db2.gz XWDKJTWMEGLICI-OWCLPIDISA-N 2 2 333.436 1.093 20 0 EDADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732442310 578712203 /nfs/dbraw/zinc/71/22/03/578712203.db2.gz UYULKTQPIRDDHM-MRXNPFEDSA-N 2 2 340.431 1.645 20 0 EDADLP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732442310 578712204 /nfs/dbraw/zinc/71/22/04/578712204.db2.gz UYULKTQPIRDDHM-MRXNPFEDSA-N 2 2 340.431 1.645 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3csc(C4CC4)n3)C2)CC1 ZINC000732779268 578727918 /nfs/dbraw/zinc/72/79/18/578727918.db2.gz CLHVSMDQOWDJJG-ZDUSSCGKSA-N 2 2 334.489 1.919 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3csc(C4CC4)n3)C2)CC1 ZINC000732779268 578727919 /nfs/dbraw/zinc/72/79/19/578727919.db2.gz CLHVSMDQOWDJJG-ZDUSSCGKSA-N 2 2 334.489 1.919 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734272811 578804176 /nfs/dbraw/zinc/80/41/76/578804176.db2.gz UUIDFPCINXSCFY-CQSZACIVSA-N 2 2 326.404 1.303 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734272811 578804177 /nfs/dbraw/zinc/80/41/77/578804177.db2.gz UUIDFPCINXSCFY-CQSZACIVSA-N 2 2 326.404 1.303 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000737244320 579059503 /nfs/dbraw/zinc/05/95/03/579059503.db2.gz FICPWFURSUWILT-STQMWFEESA-N 2 2 331.424 1.400 20 0 EDADLP CN1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)C12CCCC2 ZINC000761297919 580054219 /nfs/dbraw/zinc/05/42/19/580054219.db2.gz CFGWQYMBFBGYIS-OAHLLOKOSA-N 2 2 334.464 1.362 20 0 EDADLP CN1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)C12CCCC2 ZINC000761297919 580054220 /nfs/dbraw/zinc/05/42/20/580054220.db2.gz CFGWQYMBFBGYIS-OAHLLOKOSA-N 2 2 334.464 1.362 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000746229978 579577637 /nfs/dbraw/zinc/57/76/37/579577637.db2.gz BFCVGPBMBNSMOH-SCTDSRPQSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000746229978 579577639 /nfs/dbraw/zinc/57/76/39/579577639.db2.gz BFCVGPBMBNSMOH-SCTDSRPQSA-N 2 2 345.487 1.737 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543288 580444122 /nfs/dbraw/zinc/44/41/22/580444122.db2.gz YPYNXLPAHPIICA-SJLPKXTDSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543288 580444123 /nfs/dbraw/zinc/44/41/23/580444123.db2.gz YPYNXLPAHPIICA-SJLPKXTDSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543288 580444124 /nfs/dbraw/zinc/44/41/24/580444124.db2.gz YPYNXLPAHPIICA-SJLPKXTDSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC12CCOCC2 ZINC000777543288 580444125 /nfs/dbraw/zinc/44/41/25/580444125.db2.gz YPYNXLPAHPIICA-SJLPKXTDSA-N 2 2 347.503 1.922 20 0 EDADLP C[NH+]1CCC2(CCN2C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000747978922 579665509 /nfs/dbraw/zinc/66/55/09/579665509.db2.gz UIHBVYRGWLALOA-GOSISDBHSA-N 2 2 343.471 1.584 20 0 EDADLP C[NH+]1CCC2(CCN2C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000747978922 579665510 /nfs/dbraw/zinc/66/55/10/579665510.db2.gz UIHBVYRGWLALOA-GOSISDBHSA-N 2 2 343.471 1.584 20 0 EDADLP C[NH+]1CCC(CN2C(=O)NC3(CCCC3)C2=O)([NH+]2CCCCC2)CC1 ZINC000777664627 580447969 /nfs/dbraw/zinc/44/79/69/580447969.db2.gz YMWWHTDMLJBCIH-UHFFFAOYSA-N 2 2 348.491 1.801 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2C)CC1 ZINC000752853572 579867106 /nfs/dbraw/zinc/86/71/06/579867106.db2.gz BXJTYKQKXBEDFV-UHFFFAOYSA-N 2 2 333.476 1.990 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125430 579944053 /nfs/dbraw/zinc/94/40/53/579944053.db2.gz CRUPRTCAEBOULI-HONMWMINSA-N 2 2 326.824 1.684 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125430 579944054 /nfs/dbraw/zinc/94/40/54/579944054.db2.gz CRUPRTCAEBOULI-HONMWMINSA-N 2 2 326.824 1.684 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)NC[C@H]3CCCCO3)C2)CC1 ZINC000758229957 579977708 /nfs/dbraw/zinc/97/77/08/579977708.db2.gz LCKTVAJSTSHYIA-GDBMZVCRSA-N 2 2 340.537 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)NC[C@H]3CCCCO3)C2)CC1 ZINC000758229957 579977709 /nfs/dbraw/zinc/97/77/09/579977709.db2.gz LCKTVAJSTSHYIA-GDBMZVCRSA-N 2 2 340.537 1.188 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)C(C)(C)C2(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763335167 580098021 /nfs/dbraw/zinc/09/80/21/580098021.db2.gz LSNRTNXVKFMPSV-CVEARBPZSA-N 2 2 336.524 1.549 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)C(C)(C)C2(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763335167 580098022 /nfs/dbraw/zinc/09/80/22/580098022.db2.gz LSNRTNXVKFMPSV-CVEARBPZSA-N 2 2 336.524 1.549 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763718289 580104980 /nfs/dbraw/zinc/10/49/80/580104980.db2.gz WBEAGSOZDJWIJK-IRXDYDNUSA-N 2 2 334.464 1.731 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000769979274 580250363 /nfs/dbraw/zinc/25/03/63/580250363.db2.gz JJJHNCSHGAEDTJ-RHSMWYFYSA-N 2 2 343.431 1.391 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000769979274 580250364 /nfs/dbraw/zinc/25/03/64/580250364.db2.gz JJJHNCSHGAEDTJ-RHSMWYFYSA-N 2 2 343.431 1.391 20 0 EDADLP COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)C1 ZINC000773334901 580334509 /nfs/dbraw/zinc/33/45/09/580334509.db2.gz MDLXNLYCBGNHQW-AWEZNQCLSA-N 2 2 347.415 1.212 20 0 EDADLP Cc1cnc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000780637634 580529784 /nfs/dbraw/zinc/52/97/84/580529784.db2.gz SRRDNWGLUJVYIO-QGZVFWFLSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1cnc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000780637634 580529785 /nfs/dbraw/zinc/52/97/85/580529785.db2.gz SRRDNWGLUJVYIO-QGZVFWFLSA-N 2 2 330.476 1.939 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC(c3cccnc3)CC2)C1 ZINC000783990850 580610688 /nfs/dbraw/zinc/61/06/88/580610688.db2.gz CGYNPZLTTQKUMF-QGZVFWFLSA-N 2 2 339.443 1.968 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000783993911 580610988 /nfs/dbraw/zinc/61/09/88/580610988.db2.gz NLYLOKPSRMPPKC-SJORKVTESA-N 2 2 345.491 1.644 20 0 EDADLP Clc1csc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000785471076 580645287 /nfs/dbraw/zinc/64/52/87/580645287.db2.gz UMYNVCHVVZAGCO-AWEZNQCLSA-N 2 2 329.897 1.898 20 0 EDADLP C[NH+](C)CC1(C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)CCCCC1 ZINC000787386119 580694242 /nfs/dbraw/zinc/69/42/42/580694242.db2.gz HVNJDYJNLCFUHD-HSZRJFAPSA-N 2 2 343.537 1.021 20 0 EDADLP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@H](C)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000788588971 580725272 /nfs/dbraw/zinc/72/52/72/580725272.db2.gz PAUPCDTUAGOCFG-MJBXVCDLSA-N 2 2 343.468 1.467 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2n[nH]nc2cc1F ZINC000789766297 580753078 /nfs/dbraw/zinc/75/30/78/580753078.db2.gz MKICALOTTHRXSN-UHFFFAOYSA-N 2 2 348.426 1.195 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2n[nH]nc2cc1F ZINC000789766297 580753079 /nfs/dbraw/zinc/75/30/79/580753079.db2.gz MKICALOTTHRXSN-UHFFFAOYSA-N 2 2 348.426 1.195 20 0 EDADLP COc1cccc([C@H]2CC(=O)N(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2)c1 ZINC000793764593 580855147 /nfs/dbraw/zinc/85/51/47/580855147.db2.gz HGCWGEAVKHXMBY-FXAWDEMLSA-N 2 2 343.471 1.996 20 0 EDADLP COc1cccc([C@H]2CC(=O)N(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2)c1 ZINC000793764593 580855148 /nfs/dbraw/zinc/85/51/48/580855148.db2.gz HGCWGEAVKHXMBY-FXAWDEMLSA-N 2 2 343.471 1.996 20 0 EDADLP COc1cccc([C@H]2CC(=O)N(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)C2)c1 ZINC000793764593 580855149 /nfs/dbraw/zinc/85/51/49/580855149.db2.gz HGCWGEAVKHXMBY-FXAWDEMLSA-N 2 2 343.471 1.996 20 0 EDADLP COc1cccc([C@H]2CC(=O)N(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)c1 ZINC000793764593 580855150 /nfs/dbraw/zinc/85/51/50/580855150.db2.gz HGCWGEAVKHXMBY-FXAWDEMLSA-N 2 2 343.471 1.996 20 0 EDADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000794666394 580902011 /nfs/dbraw/zinc/90/20/11/580902011.db2.gz NOOLNXBTGVGJBA-GHMZBOCLSA-N 2 2 348.369 1.233 20 0 EDADLP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000794666394 580902012 /nfs/dbraw/zinc/90/20/12/580902012.db2.gz NOOLNXBTGVGJBA-GHMZBOCLSA-N 2 2 348.369 1.233 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCNC(=O)c2ccc(F)cc2)s1 ZINC000796277996 580949856 /nfs/dbraw/zinc/94/98/56/580949856.db2.gz GTKYTYRKHKRNCH-UHFFFAOYSA-N 2 2 336.436 1.863 20 0 EDADLP CCCCCCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000796574120 580956858 /nfs/dbraw/zinc/95/68/58/580956858.db2.gz CPDJWGHKZWCIKC-UHFFFAOYSA-N 2 2 334.464 1.909 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000796704189 580960124 /nfs/dbraw/zinc/96/01/24/580960124.db2.gz XYLSQBKCPDLMNW-VGWMRTNUSA-N 2 2 341.496 1.989 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000796704189 580960125 /nfs/dbraw/zinc/96/01/25/580960125.db2.gz XYLSQBKCPDLMNW-VGWMRTNUSA-N 2 2 341.496 1.989 20 0 EDADLP COC(=O)c1cn(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000799940897 581039320 /nfs/dbraw/zinc/03/93/20/581039320.db2.gz GBNDPZUCIMVLOL-CYBMUJFWSA-N 2 2 344.419 1.435 20 0 EDADLP COC(=O)c1cn(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000799940897 581039321 /nfs/dbraw/zinc/03/93/21/581039321.db2.gz GBNDPZUCIMVLOL-CYBMUJFWSA-N 2 2 344.419 1.435 20 0 EDADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000799943972 581039406 /nfs/dbraw/zinc/03/94/06/581039406.db2.gz WQQBNJFEOFHTCU-GDBMZVCRSA-N 2 2 332.448 1.604 20 0 EDADLP CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000799943972 581039407 /nfs/dbraw/zinc/03/94/07/581039407.db2.gz WQQBNJFEOFHTCU-GDBMZVCRSA-N 2 2 332.448 1.604 20 0 EDADLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000891928037 590692802 /nfs/dbraw/zinc/69/28/02/590692802.db2.gz QPVZTKFYYBUZFQ-CVEARBPZSA-N 2 2 341.415 1.693 20 0 EDADLP Cc1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cnc1F ZINC000891948818 590701413 /nfs/dbraw/zinc/70/14/13/590701413.db2.gz GAUCAHFUYRQARY-UHFFFAOYSA-N 2 2 348.466 1.905 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC[C@H]1CCCC[NH2+]1 ZINC000891971560 590716556 /nfs/dbraw/zinc/71/65/56/590716556.db2.gz QMRMXZXSMXEDGN-OAHLLOKOSA-N 2 2 349.504 1.576 20 0 EDADLP Cc1cc(NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)c(C)c[nH+]1 ZINC000866859896 590755854 /nfs/dbraw/zinc/75/58/54/590755854.db2.gz RQZWXEAZHGIGPO-AWEZNQCLSA-N 2 2 336.436 1.514 20 0 EDADLP C[NH+]1CCN(CCC[NH2+]Cc2ncc(Br)cc2O)CC1 ZINC000893323418 590779046 /nfs/dbraw/zinc/77/90/46/590779046.db2.gz DOJLGLAWTRVYRL-UHFFFAOYSA-N 2 2 343.269 1.277 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892168279 590839026 /nfs/dbraw/zinc/83/90/26/590839026.db2.gz CRJSLXFXLXOUDN-HIFRSBDPSA-N 2 2 349.504 1.561 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC1 ZINC000892434384 591027199 /nfs/dbraw/zinc/02/71/99/591027199.db2.gz MBJRUQUFVYEORS-JCNLHEQBSA-N 2 2 338.496 1.258 20 0 EDADLP CCOCc1nc(C)cc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000892483161 591043478 /nfs/dbraw/zinc/04/34/78/591043478.db2.gz YFSBQVYHFVOAJM-KRWDZBQOSA-N 2 2 347.507 1.926 20 0 EDADLP CCOCc1nc(C)cc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000892483161 591043480 /nfs/dbraw/zinc/04/34/80/591043480.db2.gz YFSBQVYHFVOAJM-KRWDZBQOSA-N 2 2 347.507 1.926 20 0 EDADLP CO[C@H]1CC[C@H]1N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892521891 591057719 /nfs/dbraw/zinc/05/77/19/591057719.db2.gz IPUHZEFZSXHKEU-SJORKVTESA-N 2 2 338.496 1.364 20 0 EDADLP Cc1cc2c(CCNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c[nH]c2cc1F ZINC000892529739 591059746 /nfs/dbraw/zinc/05/97/46/591059746.db2.gz ZQTNTUMKWRGCRT-AWEZNQCLSA-N 2 2 347.438 1.442 20 0 EDADLP Cc1cc2c(CCNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c[nH]c2cc1F ZINC000892529739 591059747 /nfs/dbraw/zinc/05/97/47/591059747.db2.gz ZQTNTUMKWRGCRT-AWEZNQCLSA-N 2 2 347.438 1.442 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000892582377 591080212 /nfs/dbraw/zinc/08/02/12/591080212.db2.gz VTOUFXDKCFSQJX-WKILWMFISA-N 2 2 332.448 1.130 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000892610492 591094872 /nfs/dbraw/zinc/09/48/72/591094872.db2.gz CAGBAMQRBWZIGC-QZTJIDSGSA-N 2 2 346.475 1.329 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000892610492 591094874 /nfs/dbraw/zinc/09/48/74/591094874.db2.gz CAGBAMQRBWZIGC-QZTJIDSGSA-N 2 2 346.475 1.329 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000892616986 591098341 /nfs/dbraw/zinc/09/83/41/591098341.db2.gz ZDSRBQZRAIVQQG-DKIMLUQUSA-N 2 2 328.460 1.942 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000892616986 591098346 /nfs/dbraw/zinc/09/83/46/591098346.db2.gz ZDSRBQZRAIVQQG-DKIMLUQUSA-N 2 2 328.460 1.942 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[NH2+]CCC34CCC4)C2)CC1 ZINC000891559622 591126582 /nfs/dbraw/zinc/12/65/82/591126582.db2.gz GIOMHMDXFBSDPZ-MRXNPFEDSA-N 3 2 349.523 1.083 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[NH2+]CCC34CCC4)C2)CC1 ZINC000891559622 591126585 /nfs/dbraw/zinc/12/65/85/591126585.db2.gz GIOMHMDXFBSDPZ-MRXNPFEDSA-N 3 2 349.523 1.083 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000893922552 591139238 /nfs/dbraw/zinc/13/92/38/591139238.db2.gz GRKJSJIPMWJMLG-CVEARBPZSA-N 2 2 349.385 1.943 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000893922552 591139241 /nfs/dbraw/zinc/13/92/41/591139241.db2.gz GRKJSJIPMWJMLG-CVEARBPZSA-N 2 2 349.385 1.943 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000892752019 591160950 /nfs/dbraw/zinc/16/09/50/591160950.db2.gz XAIMWVNIQAQQMF-UHFFFAOYSA-N 2 2 344.488 1.852 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)CC1 ZINC000892765789 591166931 /nfs/dbraw/zinc/16/69/31/591166931.db2.gz GJJXNWNGQVKTBE-IBGZPJMESA-N 2 2 345.491 1.233 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2CO)CC1)NCc1ccccc1 ZINC000891659002 591172192 /nfs/dbraw/zinc/17/21/92/591172192.db2.gz BJFOEDIKJFIRAE-UHFFFAOYSA-N 2 2 340.427 1.012 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(c2nc(N)[nH+]c(C(C)(C)C)n2)C1 ZINC000892774855 591172467 /nfs/dbraw/zinc/17/24/67/591172467.db2.gz PPMMCJHNEHDONX-ZDUSSCGKSA-N 2 2 336.484 1.688 20 0 EDADLP Cc1noc2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc12 ZINC000894076661 591187964 /nfs/dbraw/zinc/18/79/64/591187964.db2.gz SWIIOQSHWFHVGO-RDTXWAMCSA-N 2 2 343.475 1.989 20 0 EDADLP Cc1noc2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc12 ZINC000894076661 591187966 /nfs/dbraw/zinc/18/79/66/591187966.db2.gz SWIIOQSHWFHVGO-RDTXWAMCSA-N 2 2 343.475 1.989 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000892837961 591200581 /nfs/dbraw/zinc/20/05/81/591200581.db2.gz JDNQNSWUMYYNNX-UKRRQHHQSA-N 2 2 345.447 1.551 20 0 EDADLP CNc1cc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)nc[nH+]1 ZINC000892851507 591203979 /nfs/dbraw/zinc/20/39/79/591203979.db2.gz KCZLEOUDSIOTJJ-UHFFFAOYSA-N 2 2 334.468 1.557 20 0 EDADLP CNc1cc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[nH+]cn1 ZINC000892851507 591203980 /nfs/dbraw/zinc/20/39/80/591203980.db2.gz KCZLEOUDSIOTJJ-UHFFFAOYSA-N 2 2 334.468 1.557 20 0 EDADLP CN(C)c1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc[nH+]1 ZINC000891752295 591210123 /nfs/dbraw/zinc/21/01/23/591210123.db2.gz GOHHBQAVQWIGOM-MRXNPFEDSA-N 2 2 327.432 1.374 20 0 EDADLP CN(C)c1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)nc[nH+]1 ZINC000891752295 591210126 /nfs/dbraw/zinc/21/01/26/591210126.db2.gz GOHHBQAVQWIGOM-MRXNPFEDSA-N 2 2 327.432 1.374 20 0 EDADLP CN(C)c1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH+]cn1 ZINC000891752295 591210127 /nfs/dbraw/zinc/21/01/27/591210127.db2.gz GOHHBQAVQWIGOM-MRXNPFEDSA-N 2 2 327.432 1.374 20 0 EDADLP CN(C)c1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]cn1 ZINC000891752295 591210130 /nfs/dbraw/zinc/21/01/30/591210130.db2.gz GOHHBQAVQWIGOM-MRXNPFEDSA-N 2 2 327.432 1.374 20 0 EDADLP CCNC(=O)C[N@@H+]1CCCN(c2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC000891765976 591216760 /nfs/dbraw/zinc/21/67/60/591216760.db2.gz WHWLOLXXIIGENJ-UHFFFAOYSA-N 2 2 330.436 1.169 20 0 EDADLP CCNC(=O)C[N@H+]1CCCN(c2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC000891765976 591216764 /nfs/dbraw/zinc/21/67/64/591216764.db2.gz WHWLOLXXIIGENJ-UHFFFAOYSA-N 2 2 330.436 1.169 20 0 EDADLP COC(=O)C[N@@H+](CCc1ccc(C)c(C)c1)CCN1CC[NH+](C)CC1 ZINC000894232612 591238458 /nfs/dbraw/zinc/23/84/58/591238458.db2.gz XKGUDBFKDBBNNM-UHFFFAOYSA-N 2 2 347.503 1.568 20 0 EDADLP COC(=O)C[N@H+](CCc1ccc(C)c(C)c1)CCN1CC[NH+](C)CC1 ZINC000894232612 591238459 /nfs/dbraw/zinc/23/84/59/591238459.db2.gz XKGUDBFKDBBNNM-UHFFFAOYSA-N 2 2 347.503 1.568 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc(Br)nn2C)C1 ZINC000894241956 591242103 /nfs/dbraw/zinc/24/21/03/591242103.db2.gz PPFPIINNVQPNOX-NSHDSACASA-N 2 2 330.274 1.788 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2nc(Br)nn2C)C1 ZINC000894241956 591242107 /nfs/dbraw/zinc/24/21/07/591242107.db2.gz PPFPIINNVQPNOX-NSHDSACASA-N 2 2 330.274 1.788 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000894242285 591242393 /nfs/dbraw/zinc/24/23/93/591242393.db2.gz JWRYIKWSGXGZMS-UONOGXRCSA-N 2 2 343.427 1.907 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000894242285 591242395 /nfs/dbraw/zinc/24/23/95/591242395.db2.gz JWRYIKWSGXGZMS-UONOGXRCSA-N 2 2 343.427 1.907 20 0 EDADLP CNC(=O)c1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccn1 ZINC000892985654 591247020 /nfs/dbraw/zinc/24/70/20/591247020.db2.gz NYFJCBQFYWOIME-FKEKPDDDSA-N 2 2 343.475 1.188 20 0 EDADLP CNC(=O)c1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccn1 ZINC000892985654 591247022 /nfs/dbraw/zinc/24/70/22/591247022.db2.gz NYFJCBQFYWOIME-FKEKPDDDSA-N 2 2 343.475 1.188 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[NH+](C(C)(C)COC)CC2)nc[nH+]1 ZINC000894272679 591260330 /nfs/dbraw/zinc/26/03/30/591260330.db2.gz JQDFQTVXFDRNPN-CQSZACIVSA-N 2 2 337.468 1.206 20 0 EDADLP COc1ccc2ccc(N3CCN(CC[NH+](C)C)C(=O)C3)[nH+]c2c1 ZINC000894382520 591296711 /nfs/dbraw/zinc/29/67/11/591296711.db2.gz PAKZMBUXKLPJCD-UHFFFAOYSA-N 2 2 328.416 1.454 20 0 EDADLP CC1(O)CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000896030075 591327576 /nfs/dbraw/zinc/32/75/76/591327576.db2.gz HOZNYMUFYZBUAB-ADKAHSJRSA-N 2 2 325.497 1.066 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000897408160 591369217 /nfs/dbraw/zinc/36/92/17/591369217.db2.gz MCZAVCKYDQSAPX-WMLDXEAASA-N 2 2 349.500 1.674 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000894724719 591400852 /nfs/dbraw/zinc/40/08/52/591400852.db2.gz LOWMNRIRAXBYNA-HNNXBMFYSA-N 2 2 329.448 1.983 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000894724719 591400855 /nfs/dbraw/zinc/40/08/55/591400855.db2.gz LOWMNRIRAXBYNA-HNNXBMFYSA-N 2 2 329.448 1.983 20 0 EDADLP COC(=O)[C@@H]1[C@@H](CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771038 591411248 /nfs/dbraw/zinc/41/12/48/591411248.db2.gz VXOMYHJPAXCJLK-ZNMIVQPWSA-N 2 2 345.434 1.141 20 0 EDADLP COC(=O)[C@@H]1[C@@H](CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(F)F ZINC000894771038 591411249 /nfs/dbraw/zinc/41/12/49/591411249.db2.gz VXOMYHJPAXCJLK-ZNMIVQPWSA-N 2 2 345.434 1.141 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000898629760 591442184 /nfs/dbraw/zinc/44/21/84/591442184.db2.gz RPRBHBPGNXJKAY-LZWOXQAQSA-N 2 2 335.452 1.203 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000898629760 591442186 /nfs/dbraw/zinc/44/21/86/591442186.db2.gz RPRBHBPGNXJKAY-LZWOXQAQSA-N 2 2 335.452 1.203 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCc2cn(C)c[nH+]2)C[C@@H](C)O1 ZINC000898629757 591442251 /nfs/dbraw/zinc/44/22/51/591442251.db2.gz RPRBHBPGNXJKAY-FMKPAKJESA-N 2 2 335.452 1.203 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000894874432 591452630 /nfs/dbraw/zinc/45/26/30/591452630.db2.gz NCUZKBSDLNJPAG-HNNXBMFYSA-N 2 2 327.469 1.290 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000894874432 591452631 /nfs/dbraw/zinc/45/26/31/591452631.db2.gz NCUZKBSDLNJPAG-HNNXBMFYSA-N 2 2 327.469 1.290 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NCc2ccncc2OCCC[NH+](C)C)c1 ZINC000894885802 591457398 /nfs/dbraw/zinc/45/73/98/591457398.db2.gz OKRDBWNZJYYYEY-UHFFFAOYSA-N 2 2 346.435 1.145 20 0 EDADLP Cc1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000896519347 591489718 /nfs/dbraw/zinc/48/97/18/591489718.db2.gz VAODEVVWDPJFJW-QGZVFWFLSA-N 2 2 339.443 1.934 20 0 EDADLP Cc1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000896519347 591489721 /nfs/dbraw/zinc/48/97/21/591489721.db2.gz VAODEVVWDPJFJW-QGZVFWFLSA-N 2 2 339.443 1.934 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000896559724 591514497 /nfs/dbraw/zinc/51/44/97/591514497.db2.gz SYKXHVOBWWHKQF-ZFWWWQNUSA-N 2 2 340.464 1.721 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000896559724 591514501 /nfs/dbraw/zinc/51/45/01/591514501.db2.gz SYKXHVOBWWHKQF-ZFWWWQNUSA-N 2 2 340.464 1.721 20 0 EDADLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896570148 591530633 /nfs/dbraw/zinc/53/06/33/591530633.db2.gz JWCLIICSEHDHOZ-RHSMWYFYSA-N 2 2 327.432 1.236 20 0 EDADLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896570148 591530636 /nfs/dbraw/zinc/53/06/36/591530636.db2.gz JWCLIICSEHDHOZ-RHSMWYFYSA-N 2 2 327.432 1.236 20 0 EDADLP C[NH+](C)Cc1ccc(C[NH+]2CC(C)(C(N)=O)C2)c2c1OC(F)(F)O2 ZINC000895074107 591568192 /nfs/dbraw/zinc/56/81/92/591568192.db2.gz MHIBCVSAJCUYDZ-UHFFFAOYSA-N 2 2 341.358 1.377 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)c1ccccc1 ZINC000898882903 591576971 /nfs/dbraw/zinc/57/69/71/591576971.db2.gz AYHQSRWIMLBWPA-DOTOQJQBSA-N 2 2 330.432 1.653 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1 ZINC000898892301 591583070 /nfs/dbraw/zinc/58/30/70/591583070.db2.gz ONDCXPMEUMTZNK-WBVHZDCISA-N 2 2 346.431 1.318 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCc2c[nH+]c3n2CCCC3)[nH]n1 ZINC000897698400 591622565 /nfs/dbraw/zinc/62/25/65/591622565.db2.gz XVXUNXIYYCUQCY-OAHLLOKOSA-N 2 2 328.420 1.639 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCc2c[nH+]c3n2CCCC3)[nH]n1 ZINC000897698400 591622568 /nfs/dbraw/zinc/62/25/68/591622568.db2.gz XVXUNXIYYCUQCY-OAHLLOKOSA-N 2 2 328.420 1.639 20 0 EDADLP COCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)o1 ZINC000895230186 591666131 /nfs/dbraw/zinc/66/61/31/591666131.db2.gz NBVKUDFIXBHVCN-INIZCTEOSA-N 2 2 338.448 1.992 20 0 EDADLP COCCOc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)o1 ZINC000895230186 591666135 /nfs/dbraw/zinc/66/61/35/591666135.db2.gz NBVKUDFIXBHVCN-INIZCTEOSA-N 2 2 338.448 1.992 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1ccccc1 ZINC000897905610 591715815 /nfs/dbraw/zinc/71/58/15/591715815.db2.gz OJPQGFUYLOKNLA-RDGPPVDQSA-N 2 2 343.471 1.659 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1ccccc1 ZINC000897905610 591715819 /nfs/dbraw/zinc/71/58/19/591715819.db2.gz OJPQGFUYLOKNLA-RDGPPVDQSA-N 2 2 343.471 1.659 20 0 EDADLP C[NH+]1CC[C@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1ccccc1 ZINC000897905610 591715823 /nfs/dbraw/zinc/71/58/23/591715823.db2.gz OJPQGFUYLOKNLA-RDGPPVDQSA-N 2 2 343.471 1.659 20 0 EDADLP C[NH+]1CC[C@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1ccccc1 ZINC000897905610 591715825 /nfs/dbraw/zinc/71/58/25/591715825.db2.gz OJPQGFUYLOKNLA-RDGPPVDQSA-N 2 2 343.471 1.659 20 0 EDADLP C[NH+](C)C[C@@H]1C[NH+](Cc2cccc3c2CCOC3)C[C@H]1C[NH+](C)C ZINC000895418705 591751126 /nfs/dbraw/zinc/75/11/26/591751126.db2.gz OUDCIANKRCUCFQ-RTBURBONSA-N 3 2 331.504 1.931 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000898015061 591757181 /nfs/dbraw/zinc/75/71/81/591757181.db2.gz IIFNKSIICLNNPR-UHFFFAOYSA-N 2 2 341.496 1.726 20 0 EDADLP COC(=O)COc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000895456234 591763449 /nfs/dbraw/zinc/76/34/49/591763449.db2.gz KIGHXKWPROUJSN-KRWDZBQOSA-N 2 2 348.443 1.269 20 0 EDADLP COC(=O)COc1ccccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000895456234 591763453 /nfs/dbraw/zinc/76/34/53/591763453.db2.gz KIGHXKWPROUJSN-KRWDZBQOSA-N 2 2 348.443 1.269 20 0 EDADLP COCCOc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)o1 ZINC000895472663 591769778 /nfs/dbraw/zinc/76/97/78/591769778.db2.gz IZVCSMITCALLAZ-OAHLLOKOSA-N 2 2 326.437 1.847 20 0 EDADLP COCCOc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)o1 ZINC000895472663 591769780 /nfs/dbraw/zinc/76/97/80/591769780.db2.gz IZVCSMITCALLAZ-OAHLLOKOSA-N 2 2 326.437 1.847 20 0 EDADLP OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1Br ZINC000897218262 591772452 /nfs/dbraw/zinc/77/24/52/591772452.db2.gz BVWCFMDFYHDAGU-KBPBESRZSA-N 2 2 326.238 1.880 20 0 EDADLP OCC[N@H+]1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1Br ZINC000897218262 591772453 /nfs/dbraw/zinc/77/24/53/591772453.db2.gz BVWCFMDFYHDAGU-KBPBESRZSA-N 2 2 326.238 1.880 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCc3cc(N(C)C)cc[nH+]3)[nH+]cn2)C1 ZINC000895471622 591772833 /nfs/dbraw/zinc/77/28/33/591772833.db2.gz VCZUJZMJWYTSSA-KGLIPLIRSA-N 2 2 342.447 1.757 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCc3cc(N(C)C)cc[nH+]3)nc[nH+]2)C1 ZINC000895471622 591772836 /nfs/dbraw/zinc/77/28/36/591772836.db2.gz VCZUJZMJWYTSSA-KGLIPLIRSA-N 2 2 342.447 1.757 20 0 EDADLP c1cc(N2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCOCC3)CC2)cc[nH+]1 ZINC000897227365 591778560 /nfs/dbraw/zinc/77/85/60/591778560.db2.gz CRSITMYVRGXYDU-LJQANCHMSA-N 3 2 330.476 1.893 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)n1C ZINC000895507770 591780482 /nfs/dbraw/zinc/78/04/82/591780482.db2.gz LFAPOODFFDTJJL-MRXNPFEDSA-N 2 2 326.400 1.946 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000895552255 591798976 /nfs/dbraw/zinc/79/89/76/591798976.db2.gz LYRQFVZKQJRWOF-UHFFFAOYSA-N 2 2 331.464 1.135 20 0 EDADLP C/C(=C/C(=O)N1CC[NH+](Cc2cccs2)CC1)C[NH+]1CCOCC1 ZINC000899976897 591854095 /nfs/dbraw/zinc/85/40/95/591854095.db2.gz GKASQGSYEKUFHM-SSZFMOIBSA-N 2 2 349.500 1.671 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000900007846 591865479 /nfs/dbraw/zinc/86/54/79/591865479.db2.gz UQEJZMJOJGIGJN-SFHVURJKSA-N 2 2 343.471 1.580 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CCC(C[NH+]3CCCC3)CC1)C2=O ZINC000902139375 591919925 /nfs/dbraw/zinc/91/99/25/591919925.db2.gz OOFQBDJXZLEETM-QFBILLFUSA-N 2 2 333.476 1.783 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C[C@@]3(CCCOC3)C2=O)C1 ZINC000902168913 591937302 /nfs/dbraw/zinc/93/73/02/591937302.db2.gz AZHDRJGDVRYEFR-SJLPKXTDSA-N 2 2 339.480 1.016 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C[C@@]3(CCCOC3)C2=O)C1 ZINC000902168913 591937304 /nfs/dbraw/zinc/93/73/04/591937304.db2.gz AZHDRJGDVRYEFR-SJLPKXTDSA-N 2 2 339.480 1.016 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900197542 591937873 /nfs/dbraw/zinc/93/78/73/591937873.db2.gz ITPJUWQBUDPRSB-KSSFIOAISA-N 2 2 330.432 1.306 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900197542 591937874 /nfs/dbraw/zinc/93/78/74/591937874.db2.gz ITPJUWQBUDPRSB-KSSFIOAISA-N 2 2 330.432 1.306 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)c[nH+]2)CC1 ZINC000900233731 591950017 /nfs/dbraw/zinc/95/00/17/591950017.db2.gz ZNVMJCHROAKONU-APWZRJJASA-N 2 2 346.475 1.389 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)c[nH+]2)CC1 ZINC000900233731 591950020 /nfs/dbraw/zinc/95/00/20/591950020.db2.gz ZNVMJCHROAKONU-APWZRJJASA-N 2 2 346.475 1.389 20 0 EDADLP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)C[NH+]2CCc3ccccc3C2)CC1 ZINC000899911199 591979471 /nfs/dbraw/zinc/97/94/71/591979471.db2.gz RQSLZOKBRMKBLZ-IBGZPJMESA-N 3 2 329.488 1.576 20 0 EDADLP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)C[NH+]2CCc3ccccc3C2)CC1 ZINC000899911199 591979475 /nfs/dbraw/zinc/97/94/75/591979475.db2.gz RQSLZOKBRMKBLZ-IBGZPJMESA-N 3 2 329.488 1.576 20 0 EDADLP C[NH+]1CCC2(CC[NH+]2C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000899911199 591979477 /nfs/dbraw/zinc/97/94/77/591979477.db2.gz RQSLZOKBRMKBLZ-IBGZPJMESA-N 3 2 329.488 1.576 20 0 EDADLP C[NH+]1CCC2(CC[NH+]2C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000899911199 591979481 /nfs/dbraw/zinc/97/94/81/591979481.db2.gz RQSLZOKBRMKBLZ-IBGZPJMESA-N 3 2 329.488 1.576 20 0 EDADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)C12CC[NH+](CC1)C2 ZINC000900335630 591987347 /nfs/dbraw/zinc/98/73/47/591987347.db2.gz IWXQNIAKMCJCQN-UHFFFAOYSA-N 2 2 326.400 1.996 20 0 EDADLP C/C(=C\C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900339882 591988749 /nfs/dbraw/zinc/98/87/49/591988749.db2.gz SJRKTPSCSVAQJG-QRYYFKOISA-N 2 2 337.508 1.892 20 0 EDADLP C/C(=C\C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900339882 591988753 /nfs/dbraw/zinc/98/87/53/591988753.db2.gz SJRKTPSCSVAQJG-QRYYFKOISA-N 2 2 337.508 1.892 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902465160 592000595 /nfs/dbraw/zinc/00/05/95/592000595.db2.gz FLMRMFDLMSLMOR-DANNLKNASA-N 2 2 331.416 1.673 20 0 EDADLP Cn1ncc2c1nc(N1CCC([C@H]3CCC[NH2+]CC3)CC1)[nH+]c2N ZINC000900381804 592002302 /nfs/dbraw/zinc/00/23/02/592002302.db2.gz JCRCMSBATYQPJB-LBPRGKRZSA-N 2 2 329.452 1.552 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000900390210 592003920 /nfs/dbraw/zinc/00/39/20/592003920.db2.gz CCRDEKSVYYUDHP-QAPCUYQASA-N 2 2 332.448 1.143 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000900390210 592003923 /nfs/dbraw/zinc/00/39/23/592003923.db2.gz CCRDEKSVYYUDHP-QAPCUYQASA-N 2 2 332.448 1.143 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNc3cccc[nH+]3)CC2)CC1 ZINC000900444930 592028605 /nfs/dbraw/zinc/02/86/05/592028605.db2.gz CURRSPXXTIPKJY-UHFFFAOYSA-N 3 2 331.464 1.168 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNc3ccccn3)CC2)CC1 ZINC000900444930 592028608 /nfs/dbraw/zinc/02/86/08/592028608.db2.gz CURRSPXXTIPKJY-UHFFFAOYSA-N 2 2 331.464 1.168 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNc1cccc[nH+]1 ZINC000900482064 592030683 /nfs/dbraw/zinc/03/06/83/592030683.db2.gz YPNGOQXOTXVWDN-MRXNPFEDSA-N 3 2 333.480 1.368 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNc1cccc[nH+]1 ZINC000900482064 592030684 /nfs/dbraw/zinc/03/06/84/592030684.db2.gz YPNGOQXOTXVWDN-MRXNPFEDSA-N 3 2 333.480 1.368 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000902804403 592062542 /nfs/dbraw/zinc/06/25/42/592062542.db2.gz PSNKJIFKOHJDEM-UHFFFAOYSA-N 2 2 348.447 1.319 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC000902804403 592062544 /nfs/dbraw/zinc/06/25/44/592062544.db2.gz PSNKJIFKOHJDEM-UHFFFAOYSA-N 2 2 348.447 1.319 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000900597502 592064085 /nfs/dbraw/zinc/06/40/85/592064085.db2.gz TWTRSPQXGLFLQU-UHFFFAOYSA-N 2 2 330.436 1.293 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000900597502 592064088 /nfs/dbraw/zinc/06/40/88/592064088.db2.gz TWTRSPQXGLFLQU-UHFFFAOYSA-N 2 2 330.436 1.293 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)c3cn(C)nn3)c2cc1C ZINC000902868458 592074828 /nfs/dbraw/zinc/07/48/28/592074828.db2.gz LSODLGKHZJLCKG-KGLIPLIRSA-N 2 2 328.420 1.493 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)nn1 ZINC000902984465 592092960 /nfs/dbraw/zinc/09/29/60/592092960.db2.gz QVFDWUJESCVXPL-CYBMUJFWSA-N 2 2 340.387 1.601 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000900685749 592094323 /nfs/dbraw/zinc/09/43/23/592094323.db2.gz VTVPLFPJFVLGHW-HNNXBMFYSA-N 2 2 332.448 1.805 20 0 EDADLP C/C(=C\C(=O)N1CCC(C[NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900686806 592094888 /nfs/dbraw/zinc/09/48/88/592094888.db2.gz MVAOBHFSFAAGPD-SAPNQHFASA-N 2 2 335.492 1.599 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C(F)F)n[nH]1 ZINC000900692940 592096950 /nfs/dbraw/zinc/09/69/50/592096950.db2.gz LWXBEKSWROHRIY-UHFFFAOYSA-N 2 2 329.395 1.445 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C(F)F)n[nH]1 ZINC000900692940 592096951 /nfs/dbraw/zinc/09/69/51/592096951.db2.gz LWXBEKSWROHRIY-UHFFFAOYSA-N 2 2 329.395 1.445 20 0 EDADLP C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903093607 592121980 /nfs/dbraw/zinc/12/19/80/592121980.db2.gz JJYHPJQJBFRSCD-AWEZNQCLSA-N 2 2 348.472 1.947 20 0 EDADLP C/C(=C\C(=O)N1CCC[N@@H+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900782243 592122236 /nfs/dbraw/zinc/12/22/36/592122236.db2.gz LXBMHMKXZQNYAD-BMRADRMJSA-N 2 2 335.492 1.742 20 0 EDADLP C/C(=C\C(=O)N1CCC[N@H+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900782243 592122239 /nfs/dbraw/zinc/12/22/39/592122239.db2.gz LXBMHMKXZQNYAD-BMRADRMJSA-N 2 2 335.492 1.742 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178889 592131109 /nfs/dbraw/zinc/13/11/09/592131109.db2.gz ZXAIXMYXEUOYGY-HUUCEWRRSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178889 592131111 /nfs/dbraw/zinc/13/11/11/592131111.db2.gz ZXAIXMYXEUOYGY-HUUCEWRRSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1Cc2ccccc2OCC1=O ZINC000903181157 592131985 /nfs/dbraw/zinc/13/19/85/592131985.db2.gz FRWPMOAQSLMEQA-RHSMWYFYSA-N 2 2 329.444 1.480 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1Cc2ccccc2OCC1=O ZINC000903181157 592131987 /nfs/dbraw/zinc/13/19/87/592131987.db2.gz FRWPMOAQSLMEQA-RHSMWYFYSA-N 2 2 329.444 1.480 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903217877 592141102 /nfs/dbraw/zinc/14/11/02/592141102.db2.gz FMIQEPAHFUOIAR-JFIYKMOQSA-N 2 2 330.476 1.750 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903217877 592141103 /nfs/dbraw/zinc/14/11/03/592141103.db2.gz FMIQEPAHFUOIAR-JFIYKMOQSA-N 2 2 330.476 1.750 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470829 592175283 /nfs/dbraw/zinc/17/52/83/592175283.db2.gz DQQHINULKZEDPN-SJORKVTESA-N 3 2 330.476 1.280 20 0 EDADLP Brc1c[nH+]c2n1C[C@H]([NH2+][C@H]1CCO[C@@]13CCOC3)CC2 ZINC000903478832 592176290 /nfs/dbraw/zinc/17/62/90/592176290.db2.gz HYNBIFKWTUGCAL-UHIISALHSA-N 2 2 342.237 1.498 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)NC[C@H]1COc2ccccc2O1 ZINC000903485404 592177911 /nfs/dbraw/zinc/17/79/11/592177911.db2.gz NFNGAJMANAKGDZ-YOEHRIQHSA-N 2 2 345.443 1.207 20 0 EDADLP C/C(=C\C(=O)NC1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900954197 592179041 /nfs/dbraw/zinc/17/90/41/592179041.db2.gz GJKVQWSRULROCC-JQIJEIRASA-N 2 2 335.492 1.788 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C(C)C ZINC000903510835 592190506 /nfs/dbraw/zinc/19/05/06/592190506.db2.gz LMSYCFWMDWXZSJ-HDICACEKSA-N 2 2 336.524 1.532 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)C(C)C ZINC000903510835 592190507 /nfs/dbraw/zinc/19/05/07/592190507.db2.gz LMSYCFWMDWXZSJ-HDICACEKSA-N 2 2 336.524 1.532 20 0 EDADLP C/C(=C\C(=O)N(CC[NH+](C)C)Cc1ccco1)C[NH+]1CCOCC1 ZINC000901012213 592195576 /nfs/dbraw/zinc/19/55/76/592195576.db2.gz MGINJWGTYWLKBU-DTQAZKPQSA-N 2 2 335.448 1.448 20 0 EDADLP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000906665782 592248023 /nfs/dbraw/zinc/24/80/23/592248023.db2.gz GKNWOQISESSEEI-OAHLLOKOSA-N 2 2 340.383 1.159 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C[C@@H]21 ZINC000904592522 592292496 /nfs/dbraw/zinc/29/24/96/592292496.db2.gz CZBPFUKHLAPAMN-HOTGVXAUSA-N 2 2 332.448 1.817 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C[C@@H]21 ZINC000904592522 592292500 /nfs/dbraw/zinc/29/25/00/592292500.db2.gz CZBPFUKHLAPAMN-HOTGVXAUSA-N 2 2 332.448 1.817 20 0 EDADLP O=C(CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000903733554 592296343 /nfs/dbraw/zinc/29/63/43/592296343.db2.gz NSJOSDMVUURGGU-GOSISDBHSA-N 2 2 336.524 1.396 20 0 EDADLP O=C(C[NH+]1CCN(C[C@@H]2CCCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000903733554 592296347 /nfs/dbraw/zinc/29/63/47/592296347.db2.gz NSJOSDMVUURGGU-GOSISDBHSA-N 2 2 336.524 1.396 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)c(N(C)C)[nH+]1 ZINC000906737102 592303420 /nfs/dbraw/zinc/30/34/20/592303420.db2.gz YVSFBIHFHSBLLC-ZDUSSCGKSA-N 2 2 333.436 1.043 20 0 EDADLP COCc1n[nH]c([C@@H]2CCCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903758806 592314641 /nfs/dbraw/zinc/31/46/41/592314641.db2.gz MWTNHGURQDMXEW-GJZGRUSLSA-N 2 2 349.479 1.637 20 0 EDADLP COCc1n[nH]c([C@@H]2CCCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903758806 592314645 /nfs/dbraw/zinc/31/46/45/592314645.db2.gz MWTNHGURQDMXEW-GJZGRUSLSA-N 2 2 349.479 1.637 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CCCC[C@H]3C3(C[NH3+])CCC3)sc2n1 ZINC000903812950 592330983 /nfs/dbraw/zinc/33/09/83/592330983.db2.gz BREHHFXGQOPFFV-ZDUSSCGKSA-N 2 2 347.488 1.943 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CCCC[C@H]3C3(C[NH3+])CCC3)sc2n1 ZINC000903812950 592330987 /nfs/dbraw/zinc/33/09/87/592330987.db2.gz BREHHFXGQOPFFV-ZDUSSCGKSA-N 2 2 347.488 1.943 20 0 EDADLP O=C(CNc1cccc[nH+]1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000901313549 592337174 /nfs/dbraw/zinc/33/71/74/592337174.db2.gz FZALWHPFQSNZLM-UHFFFAOYSA-N 2 2 325.416 1.921 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cnn1C ZINC000903889641 592351309 /nfs/dbraw/zinc/35/13/09/592351309.db2.gz URYHKKGHJPOTSB-SJORKVTESA-N 3 2 342.491 1.675 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cnn1C ZINC000903889641 592351314 /nfs/dbraw/zinc/35/13/14/592351314.db2.gz URYHKKGHJPOTSB-SJORKVTESA-N 3 2 342.491 1.675 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC[C@@H](C(=O)OCC)C1 ZINC000908171040 592358698 /nfs/dbraw/zinc/35/86/98/592358698.db2.gz LTNYKFRUFJZJIC-CVEARBPZSA-N 2 2 339.480 1.252 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC[C@@H](C(=O)OCC)C1 ZINC000908171040 592358704 /nfs/dbraw/zinc/35/87/04/592358704.db2.gz LTNYKFRUFJZJIC-CVEARBPZSA-N 2 2 339.480 1.252 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000908171040 592358709 /nfs/dbraw/zinc/35/87/09/592358709.db2.gz LTNYKFRUFJZJIC-CVEARBPZSA-N 2 2 339.480 1.252 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000908171040 592358713 /nfs/dbraw/zinc/35/87/13/592358713.db2.gz LTNYKFRUFJZJIC-CVEARBPZSA-N 2 2 339.480 1.252 20 0 EDADLP CCC(CC)C(=O)N1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903883911 592362543 /nfs/dbraw/zinc/36/25/43/592362543.db2.gz LUDDZHJRDBIONU-MRXNPFEDSA-N 2 2 349.523 1.426 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cnn1C ZINC000903931190 592384038 /nfs/dbraw/zinc/38/40/38/592384038.db2.gz AOPCEXQDAKFAFR-INIZCTEOSA-N 3 2 340.475 1.634 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)cnn1C ZINC000903934232 592386702 /nfs/dbraw/zinc/38/67/02/592386702.db2.gz FCBNQYBJGSEMHC-HNNXBMFYSA-N 2 2 341.459 1.325 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2Cc3ccccc3N(C)C(=O)C2)cnn1C ZINC000903934232 592386707 /nfs/dbraw/zinc/38/67/07/592386707.db2.gz FCBNQYBJGSEMHC-HNNXBMFYSA-N 2 2 341.459 1.325 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000903937844 592387165 /nfs/dbraw/zinc/38/71/65/592387165.db2.gz SKPVQGLFULQLHB-WBVHZDCISA-N 3 2 341.463 1.308 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000903937844 592387168 /nfs/dbraw/zinc/38/71/68/592387168.db2.gz SKPVQGLFULQLHB-WBVHZDCISA-N 3 2 341.463 1.308 20 0 EDADLP CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901731238 592447132 /nfs/dbraw/zinc/44/71/32/592447132.db2.gz ZOHNHXGIKGIDOH-GHMZBOCLSA-N 2 2 343.269 1.855 20 0 EDADLP C[C@]1(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CCC[NH2+]C1 ZINC000904304335 592473253 /nfs/dbraw/zinc/47/32/53/592473253.db2.gz ZGSZTHZJYAQRJG-FQEVSTJZSA-N 2 2 345.487 1.965 20 0 EDADLP C[C@]1(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)CCC[NH2+]C1 ZINC000904304335 592473258 /nfs/dbraw/zinc/47/32/58/592473258.db2.gz ZGSZTHZJYAQRJG-FQEVSTJZSA-N 2 2 345.487 1.965 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC(CO)([NH2+]C(C)C)CC3)[nH+]c12 ZINC000908592635 592547077 /nfs/dbraw/zinc/54/70/77/592547077.db2.gz KLNCYOSTNKANCZ-UHFFFAOYSA-N 2 2 344.459 1.537 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)CC1(O)CCCCC1 ZINC000905619448 592596197 /nfs/dbraw/zinc/59/61/97/592596197.db2.gz MUZMHVVZYOLCHR-IAGOWNOFSA-N 2 2 326.481 1.276 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)CC1(O)CCCCC1 ZINC000905619448 592596199 /nfs/dbraw/zinc/59/61/99/592596199.db2.gz MUZMHVVZYOLCHR-IAGOWNOFSA-N 2 2 326.481 1.276 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCCC[C@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000905681188 592610528 /nfs/dbraw/zinc/61/05/28/592610528.db2.gz LCGRLHZRMVUVLU-QFBILLFUSA-N 2 2 345.491 1.798 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCCC[C@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000905681188 592610529 /nfs/dbraw/zinc/61/05/29/592610529.db2.gz LCGRLHZRMVUVLU-QFBILLFUSA-N 2 2 345.491 1.798 20 0 EDADLP [NH3+]C1CC[NH+](CCNc2nc(C(F)(F)F)nc3[nH]cnc32)CC1 ZINC000905703518 592616064 /nfs/dbraw/zinc/61/60/64/592616064.db2.gz BVTAVFYZZZRFFB-UHFFFAOYSA-N 2 2 329.330 1.158 20 0 EDADLP CCn1c([C@@H]2C[NH+](C)C[C@H](C)O2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000908831713 592636489 /nfs/dbraw/zinc/63/64/89/592636489.db2.gz VYENWTIUUFLXGX-YRBFXIGRSA-N 2 2 348.495 1.078 20 0 EDADLP CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000908831713 592636493 /nfs/dbraw/zinc/63/64/93/592636493.db2.gz VYENWTIUUFLXGX-YRBFXIGRSA-N 2 2 348.495 1.078 20 0 EDADLP CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000908831713 592636495 /nfs/dbraw/zinc/63/64/95/592636495.db2.gz VYENWTIUUFLXGX-YRBFXIGRSA-N 2 2 348.495 1.078 20 0 EDADLP O[C@H](CCC1(O)CCC1)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000905906261 592675892 /nfs/dbraw/zinc/67/58/92/592675892.db2.gz JEAJXFSEVLZQDP-MRXNPFEDSA-N 2 2 342.549 1.994 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000907528536 592689357 /nfs/dbraw/zinc/68/93/57/592689357.db2.gz MNQGJILBNKOEFU-HWOWSKLDSA-N 2 2 332.448 1.205 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCN1C ZINC000907563893 592710265 /nfs/dbraw/zinc/71/02/65/592710265.db2.gz KMPWXAMRVIFLHX-JYJNAYRXSA-N 2 2 331.464 1.252 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCN1C ZINC000907563893 592710267 /nfs/dbraw/zinc/71/02/67/592710267.db2.gz KMPWXAMRVIFLHX-JYJNAYRXSA-N 2 2 331.464 1.252 20 0 EDADLP C[NH2+]Cc1ncc(-c2ccc(OCC[NH+]3CCOCC3)c(C)c2)cn1 ZINC000906159629 592750183 /nfs/dbraw/zinc/75/01/83/592750183.db2.gz UMFKQRWMOYDNLY-UHFFFAOYSA-N 2 2 342.443 1.882 20 0 EDADLP CC[C@H](C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C(CO)CO)[NH+](C)C ZINC000909295305 592793031 /nfs/dbraw/zinc/79/30/31/592793031.db2.gz WQQOHRLOMGECBL-OAHLLOKOSA-N 2 2 334.420 1.149 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnn(C4CC4)c3N)CC2)CC1 ZINC000906464364 592828719 /nfs/dbraw/zinc/82/87/19/592828719.db2.gz ARGQPPPAHAYGIR-UHFFFAOYSA-N 2 2 346.479 1.089 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000906522019 592840174 /nfs/dbraw/zinc/84/01/74/592840174.db2.gz DOVGFPRBPWYXJW-KGLIPLIRSA-N 2 2 338.452 1.355 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000906522019 592840175 /nfs/dbraw/zinc/84/01/75/592840175.db2.gz DOVGFPRBPWYXJW-KGLIPLIRSA-N 2 2 338.452 1.355 20 0 EDADLP CC[C@@H](C)[NH+](C)CCNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000906522019 592840177 /nfs/dbraw/zinc/84/01/77/592840177.db2.gz DOVGFPRBPWYXJW-KGLIPLIRSA-N 2 2 338.452 1.355 20 0 EDADLP CC[C@@H](C)[NH+](C)CCNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000906522019 592840178 /nfs/dbraw/zinc/84/01/78/592840178.db2.gz DOVGFPRBPWYXJW-KGLIPLIRSA-N 2 2 338.452 1.355 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907937617 592849850 /nfs/dbraw/zinc/84/98/50/592849850.db2.gz FTTSVMKTRVIGEC-YJBOKZPZSA-N 2 2 334.464 1.803 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776088 592893381 /nfs/dbraw/zinc/89/33/81/592893381.db2.gz CRWIWMGGPIMCMG-KRWDZBQOSA-N 2 2 336.439 1.932 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776088 592893382 /nfs/dbraw/zinc/89/33/82/592893382.db2.gz CRWIWMGGPIMCMG-KRWDZBQOSA-N 2 2 336.439 1.932 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000910863980 592897979 /nfs/dbraw/zinc/89/79/79/592897979.db2.gz WIEUNIPOSPTZSU-UHFFFAOYSA-N 2 2 344.459 1.889 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000910863980 592897980 /nfs/dbraw/zinc/89/79/80/592897980.db2.gz WIEUNIPOSPTZSU-UHFFFAOYSA-N 2 2 344.459 1.889 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000911921416 593033681 /nfs/dbraw/zinc/03/36/81/593033681.db2.gz HZJHILQQAUHYSC-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)CC[NH+]2CCOCC2)c1 ZINC000912528852 593103244 /nfs/dbraw/zinc/10/32/44/593103244.db2.gz HFEIXAVAOMSFCH-UHFFFAOYSA-N 2 2 329.404 1.369 20 0 EDADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000838872006 593228011 /nfs/dbraw/zinc/22/80/11/593228011.db2.gz ZIQVJTQLRZRLOU-HIFRSBDPSA-N 2 2 338.452 1.577 20 0 EDADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000838872006 593228013 /nfs/dbraw/zinc/22/80/13/593228013.db2.gz ZIQVJTQLRZRLOU-HIFRSBDPSA-N 2 2 338.452 1.577 20 0 EDADLP CCn1ncc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)n1 ZINC000838910969 593231155 /nfs/dbraw/zinc/23/11/55/593231155.db2.gz HMRORXARXUPWHH-OAHLLOKOSA-N 2 2 329.448 1.809 20 0 EDADLP CCn1ncc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)n1 ZINC000838910969 593231157 /nfs/dbraw/zinc/23/11/57/593231157.db2.gz HMRORXARXUPWHH-OAHLLOKOSA-N 2 2 329.448 1.809 20 0 EDADLP CCNc1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc(NC(C)(C)C)[nH+]1 ZINC000804397134 593411806 /nfs/dbraw/zinc/41/18/06/593411806.db2.gz TZKOHYOZZQNEEF-STQMWFEESA-N 2 2 349.483 1.789 20 0 EDADLP CCNc1nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc(NC(C)(C)C)[nH+]1 ZINC000804397134 593411808 /nfs/dbraw/zinc/41/18/08/593411808.db2.gz TZKOHYOZZQNEEF-STQMWFEESA-N 2 2 349.483 1.789 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]1 ZINC000804397134 593411810 /nfs/dbraw/zinc/41/18/10/593411810.db2.gz TZKOHYOZZQNEEF-STQMWFEESA-N 2 2 349.483 1.789 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]1 ZINC000804397134 593411811 /nfs/dbraw/zinc/41/18/11/593411811.db2.gz TZKOHYOZZQNEEF-STQMWFEESA-N 2 2 349.483 1.789 20 0 EDADLP CCNc1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]c(NC(C)(C)C)n1 ZINC000804397134 593411813 /nfs/dbraw/zinc/41/18/13/593411813.db2.gz TZKOHYOZZQNEEF-STQMWFEESA-N 2 2 349.483 1.789 20 0 EDADLP CCNc1nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]c(NC(C)(C)C)n1 ZINC000804397134 593411815 /nfs/dbraw/zinc/41/18/15/593411815.db2.gz TZKOHYOZZQNEEF-STQMWFEESA-N 2 2 349.483 1.789 20 0 EDADLP CN1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)C12CCCCC2 ZINC000761297073 593415026 /nfs/dbraw/zinc/41/50/26/593415026.db2.gz AEZSZXDMIOCEHA-INIZCTEOSA-N 2 2 348.491 1.752 20 0 EDADLP CN1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)C12CCCCC2 ZINC000761297073 593415027 /nfs/dbraw/zinc/41/50/27/593415027.db2.gz AEZSZXDMIOCEHA-INIZCTEOSA-N 2 2 348.491 1.752 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000817184829 593581226 /nfs/dbraw/zinc/58/12/26/593581226.db2.gz QHEZPKTUCWNFBW-GOSISDBHSA-N 2 2 348.443 1.283 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000817184829 593581228 /nfs/dbraw/zinc/58/12/28/593581228.db2.gz QHEZPKTUCWNFBW-GOSISDBHSA-N 2 2 348.443 1.283 20 0 EDADLP O[C@](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)(c1ccccc1)C(F)(F)F ZINC000817893339 593646186 /nfs/dbraw/zinc/64/61/86/593646186.db2.gz YIZHFMHUKRAJHS-OWCLPIDISA-N 2 2 344.377 1.793 20 0 EDADLP COc1cc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1S(=O)(=O)C(F)F ZINC000817976668 593653089 /nfs/dbraw/zinc/65/30/89/593653089.db2.gz QTCVMMRYYYMCHG-GJTWSCIVSA-N 2 2 346.399 1.560 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000819038851 593735101 /nfs/dbraw/zinc/73/51/01/593735101.db2.gz JREBHXJMRMWSKM-CABCVRRESA-N 2 2 327.469 1.336 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000819038851 593735102 /nfs/dbraw/zinc/73/51/02/593735102.db2.gz JREBHXJMRMWSKM-CABCVRRESA-N 2 2 327.469 1.336 20 0 EDADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819190434 593743551 /nfs/dbraw/zinc/74/35/51/593743551.db2.gz HHEJDFPJLLJCBL-KRWDZBQOSA-N 2 2 334.441 1.659 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000819265872 593747592 /nfs/dbraw/zinc/74/75/92/593747592.db2.gz SVEWBVASYCENQL-HOTGVXAUSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000819265872 593747593 /nfs/dbraw/zinc/74/75/93/593747593.db2.gz SVEWBVASYCENQL-HOTGVXAUSA-N 2 2 341.496 1.869 20 0 EDADLP c1cn(-c2ncccc2C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c[nH+]1 ZINC000823808742 593864262 /nfs/dbraw/zinc/86/42/62/593864262.db2.gz DOJVDKYXEIVJNM-UHFFFAOYSA-N 2 2 338.400 1.799 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821583187 593869210 /nfs/dbraw/zinc/86/92/10/593869210.db2.gz LRUSBBZNXSWHKL-UHFFFAOYSA-N 2 2 333.415 1.444 20 0 EDADLP COCC[N@@H+]1CCN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)C[C@@H]1C ZINC000821691011 593916100 /nfs/dbraw/zinc/91/61/00/593916100.db2.gz FEGVMBIRIUAASQ-ZDUSSCGKSA-N 2 2 331.424 1.035 20 0 EDADLP COCC[N@H+]1CCN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)C[C@@H]1C ZINC000821691011 593916101 /nfs/dbraw/zinc/91/61/01/593916101.db2.gz FEGVMBIRIUAASQ-ZDUSSCGKSA-N 2 2 331.424 1.035 20 0 EDADLP C[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824406680 594004400 /nfs/dbraw/zinc/00/44/00/594004400.db2.gz PQKMRJNRVFTVRE-CYBMUJFWSA-N 2 2 330.436 1.192 20 0 EDADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCOCC1 ZINC000824426194 594008807 /nfs/dbraw/zinc/00/88/07/594008807.db2.gz BOJBGTFWRNTNPT-KGLIPLIRSA-N 2 2 330.436 1.486 20 0 EDADLP CO[C@@H]1CC[C@H]([NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000821381053 594032985 /nfs/dbraw/zinc/03/29/85/594032985.db2.gz UVLDAWKMRGZBCR-JKSUJKDBSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568585 594039988 /nfs/dbraw/zinc/03/99/88/594039988.db2.gz AVUFMMBTFRMNOO-XJKSGUPXSA-N 2 2 330.436 1.364 20 0 EDADLP COCC1(c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)CC[NH2+]CC1 ZINC000822803927 594102951 /nfs/dbraw/zinc/10/29/51/594102951.db2.gz UBUQHMAHDFLOKA-UHFFFAOYSA-N 2 2 340.387 1.585 20 0 EDADLP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000823505858 594211630 /nfs/dbraw/zinc/21/16/30/594211630.db2.gz IDZMEBFCKYJERH-OAHLLOKOSA-N 2 2 333.432 1.157 20 0 EDADLP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000823505858 594211631 /nfs/dbraw/zinc/21/16/31/594211631.db2.gz IDZMEBFCKYJERH-OAHLLOKOSA-N 2 2 333.432 1.157 20 0 EDADLP CC(=O)N[C@@](C)(C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C(C)C ZINC000828141582 594349980 /nfs/dbraw/zinc/34/99/80/594349980.db2.gz QPABMCDRXMMRFQ-GOSISDBHSA-N 2 2 347.463 1.323 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000826167776 594358583 /nfs/dbraw/zinc/35/85/83/594358583.db2.gz QSMIRWOYCCJACS-IUODEOHRSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000826167776 594358584 /nfs/dbraw/zinc/35/85/84/594358584.db2.gz QSMIRWOYCCJACS-IUODEOHRSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000826167776 594358587 /nfs/dbraw/zinc/35/85/87/594358587.db2.gz QSMIRWOYCCJACS-IUODEOHRSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000826167776 594358591 /nfs/dbraw/zinc/35/85/91/594358591.db2.gz QSMIRWOYCCJACS-IUODEOHRSA-N 2 2 330.436 1.790 20 0 EDADLP CS[C@H]1CN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000826227492 594387429 /nfs/dbraw/zinc/38/74/29/594387429.db2.gz RQIWQFNWSRTCLP-NEPJUHHUSA-N 2 2 333.465 1.360 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000830417155 594392560 /nfs/dbraw/zinc/39/25/60/594392560.db2.gz DHNQMAFUPREFEW-UHFFFAOYSA-N 2 2 347.850 1.544 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]1 ZINC000826276252 594408240 /nfs/dbraw/zinc/40/82/40/594408240.db2.gz YSBDEYLUBKSMEI-AWEZNQCLSA-N 2 2 343.435 1.625 20 0 EDADLP Cc1cc[nH+]c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1-c1nn[nH]n1 ZINC000826312334 594419609 /nfs/dbraw/zinc/41/96/09/594419609.db2.gz BLRVKRQWFKVANP-ZDUSSCGKSA-N 2 2 329.408 1.235 20 0 EDADLP Fc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cccc1-c1nn[nH]n1 ZINC000826370853 594449169 /nfs/dbraw/zinc/44/91/69/594449169.db2.gz JRRNNWGGLKAVJC-ZDUSSCGKSA-N 2 2 346.410 1.160 20 0 EDADLP Fc1c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cccc1-c1nn[nH]n1 ZINC000826370853 594449172 /nfs/dbraw/zinc/44/91/72/594449172.db2.gz JRRNNWGGLKAVJC-ZDUSSCGKSA-N 2 2 346.410 1.160 20 0 EDADLP Cn1cc(C=O)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000826569114 594529851 /nfs/dbraw/zinc/52/98/51/594529851.db2.gz PNMPQNYBBGAHGU-UHFFFAOYSA-N 2 2 346.475 1.518 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000831173633 594574883 /nfs/dbraw/zinc/57/48/83/594574883.db2.gz RBLDPYPJNTWKOT-AWEZNQCLSA-N 2 2 326.404 1.209 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nccc4occc43)C2)CC1 ZINC000827414169 594669691 /nfs/dbraw/zinc/66/96/91/594669691.db2.gz QHTMIGCQRVRLCZ-ZDUSSCGKSA-N 2 2 328.416 1.726 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nccc4occc43)C2)CC1 ZINC000827414169 594669692 /nfs/dbraw/zinc/66/96/92/594669692.db2.gz QHTMIGCQRVRLCZ-ZDUSSCGKSA-N 2 2 328.416 1.726 20 0 EDADLP CCO[C@H](CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C[NH+](C)C ZINC000831707703 594694512 /nfs/dbraw/zinc/69/45/12/594694512.db2.gz KPXNFJAPDIYTER-QGZVFWFLSA-N 2 2 330.432 1.498 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@@H](C)CC[NH3+])c1[nH+]ccn1C ZINC000841670834 594933263 /nfs/dbraw/zinc/93/32/63/594933263.db2.gz WDJQSDLBCWVIPF-WFASDCNBSA-N 2 2 331.420 1.555 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000841671265 594933556 /nfs/dbraw/zinc/93/35/56/594933556.db2.gz XQHOQPAKPIAKIL-WFASDCNBSA-N 2 2 331.420 1.555 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C1CCCCC1 ZINC000841691065 594938487 /nfs/dbraw/zinc/93/84/87/594938487.db2.gz OJHBPUFUXDDMKE-MRXNPFEDSA-N 2 2 342.447 1.974 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000836263706 594944863 /nfs/dbraw/zinc/94/48/63/594944863.db2.gz CQGQTWPLFLJBKM-OAHLLOKOSA-N 2 2 343.431 1.768 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1nc2ccccc2s1 ZINC000841820906 594958012 /nfs/dbraw/zinc/95/80/12/594958012.db2.gz RBRAQNUBYAZFNK-VXGBXAGGSA-N 2 2 333.461 1.642 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1nc2ccccc2s1 ZINC000841820906 594958013 /nfs/dbraw/zinc/95/80/13/594958013.db2.gz RBRAQNUBYAZFNK-VXGBXAGGSA-N 2 2 333.461 1.642 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1nc2ccccc2s1 ZINC000841820900 594958136 /nfs/dbraw/zinc/95/81/36/594958136.db2.gz RBRAQNUBYAZFNK-NWDGAFQWSA-N 2 2 333.461 1.642 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1nc2ccccc2s1 ZINC000841820900 594958138 /nfs/dbraw/zinc/95/81/38/594958138.db2.gz RBRAQNUBYAZFNK-NWDGAFQWSA-N 2 2 333.461 1.642 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCn2cc[nH+]c21 ZINC000836517965 594971265 /nfs/dbraw/zinc/97/12/65/594971265.db2.gz UNXXYCNWZQXCBQ-HZPDHXFCSA-N 2 2 325.416 1.902 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCn2cc[nH+]c21 ZINC000836517965 594971267 /nfs/dbraw/zinc/97/12/67/594971267.db2.gz UNXXYCNWZQXCBQ-HZPDHXFCSA-N 2 2 325.416 1.902 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000836520843 594971699 /nfs/dbraw/zinc/97/16/99/594971699.db2.gz BEOGINSWVQZCQR-MRXNPFEDSA-N 2 2 327.432 1.931 20 0 EDADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867181615 594978140 /nfs/dbraw/zinc/97/81/40/594978140.db2.gz OVVREROYCDLUJZ-KRWDZBQOSA-N 2 2 343.431 1.603 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CCC1 ZINC000843368762 595089859 /nfs/dbraw/zinc/08/98/59/595089859.db2.gz XMSISNWQSVNZIT-UHFFFAOYSA-N 2 2 347.387 1.092 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)C[C@@](C)(O)c2ccccc2)C1 ZINC000842624767 595148081 /nfs/dbraw/zinc/14/80/81/595148081.db2.gz KMDNCTIMWXFTLD-HNAYVOBHSA-N 2 2 342.443 1.533 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)C[C@@](C)(O)c2ccccc2)C1 ZINC000842624767 595148084 /nfs/dbraw/zinc/14/80/84/595148084.db2.gz KMDNCTIMWXFTLD-HNAYVOBHSA-N 2 2 342.443 1.533 20 0 EDADLP CN(C)[C@@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1c[nH+]cn1C ZINC000834780193 595209901 /nfs/dbraw/zinc/20/99/01/595209901.db2.gz IHLOTQBTRAKYKY-BFHRDPOASA-N 2 2 333.480 1.546 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000843095242 595286546 /nfs/dbraw/zinc/28/65/46/595286546.db2.gz UODMMWMTSIYHRH-CZUORRHYSA-N 2 2 330.831 1.949 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000843095242 595286547 /nfs/dbraw/zinc/28/65/47/595286547.db2.gz UODMMWMTSIYHRH-CZUORRHYSA-N 2 2 330.831 1.949 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000844171535 595290944 /nfs/dbraw/zinc/29/09/44/595290944.db2.gz KPHUGWJKXQFHDW-CQSZACIVSA-N 2 2 333.440 1.058 20 0 EDADLP CCOC(=O)c1oc2ccccc2c1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846670317 595297356 /nfs/dbraw/zinc/29/73/56/595297356.db2.gz NXQBXXVSOOGVEF-CQSZACIVSA-N 2 2 347.415 1.505 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[NH2+]CC3([NH3+])CCC3)cc2)C[C@@H](C)O1 ZINC000844222380 595306877 /nfs/dbraw/zinc/30/68/77/595306877.db2.gz CWQBVAWRCNTLHS-HUUCEWRRSA-N 2 2 346.475 1.710 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000844225827 595309044 /nfs/dbraw/zinc/30/90/44/595309044.db2.gz HFWGVCANXXJMTA-JKSUJKDBSA-N 2 2 346.475 1.378 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000844225827 595309047 /nfs/dbraw/zinc/30/90/47/595309047.db2.gz HFWGVCANXXJMTA-JKSUJKDBSA-N 2 2 346.475 1.378 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844318076 595322636 /nfs/dbraw/zinc/32/26/36/595322636.db2.gz GHAPYHYFMPDQON-FHLIZLRMSA-N 2 2 344.459 1.865 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844318076 595322639 /nfs/dbraw/zinc/32/26/39/595322639.db2.gz GHAPYHYFMPDQON-FHLIZLRMSA-N 2 2 344.459 1.865 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000846840845 595325729 /nfs/dbraw/zinc/32/57/29/595325729.db2.gz JESYNFSQCGOFFZ-UHFFFAOYSA-N 2 2 343.431 1.390 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000846913853 595336374 /nfs/dbraw/zinc/33/63/74/595336374.db2.gz GEXFYLYKULIKHO-MJGOQNOKSA-N 2 2 336.476 1.753 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000846913853 595336376 /nfs/dbraw/zinc/33/63/76/595336376.db2.gz GEXFYLYKULIKHO-MJGOQNOKSA-N 2 2 336.476 1.753 20 0 EDADLP CCOC(=O)C[NH+]1CCC(COC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000845466443 595502362 /nfs/dbraw/zinc/50/23/62/595502362.db2.gz ZHEANPDOMPUJLW-CQSZACIVSA-N 2 2 337.420 1.653 20 0 EDADLP O[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000850529496 595529423 /nfs/dbraw/zinc/52/94/23/595529423.db2.gz QRVWCCFMKWOXQB-PMACEKPBSA-N 2 2 345.487 1.551 20 0 EDADLP O[C@H]1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c2ccccc21 ZINC000850529496 595529426 /nfs/dbraw/zinc/52/94/26/595529426.db2.gz QRVWCCFMKWOXQB-PMACEKPBSA-N 2 2 345.487 1.551 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000854940101 595537233 /nfs/dbraw/zinc/53/72/33/595537233.db2.gz GNQBMIPQAMJQOI-UHFFFAOYSA-N 2 2 328.416 1.096 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)ccc2n1C1CC1 ZINC000852890964 595601387 /nfs/dbraw/zinc/60/13/87/595601387.db2.gz NMADJORIHUVICD-CYBMUJFWSA-N 2 2 341.415 1.653 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cn2)CC1 ZINC000857847494 595631618 /nfs/dbraw/zinc/63/16/18/595631618.db2.gz PCMWBXNUYBUZGY-MRXNPFEDSA-N 2 2 326.448 1.724 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cn2)CC1 ZINC000857847494 595631620 /nfs/dbraw/zinc/63/16/20/595631620.db2.gz PCMWBXNUYBUZGY-MRXNPFEDSA-N 2 2 326.448 1.724 20 0 EDADLP C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000857861003 595634935 /nfs/dbraw/zinc/63/49/35/595634935.db2.gz OXYUMGFCHGURPP-CJNGLKHVSA-N 2 2 333.480 1.218 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000855414395 595703135 /nfs/dbraw/zinc/70/31/35/595703135.db2.gz CPOMSMUOXVVSIG-INIZCTEOSA-N 2 2 341.883 1.763 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000855414395 595703138 /nfs/dbraw/zinc/70/31/38/595703138.db2.gz CPOMSMUOXVVSIG-INIZCTEOSA-N 2 2 341.883 1.763 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCCC1 ZINC000853465160 595758182 /nfs/dbraw/zinc/75/81/82/595758182.db2.gz CMVDIEBBJFTHFU-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)C1 ZINC000853569919 595808884 /nfs/dbraw/zinc/80/88/84/595808884.db2.gz CAHKPQSDDPEJNG-NUJGCVRESA-N 2 2 346.475 1.975 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)C1 ZINC000853569919 595808885 /nfs/dbraw/zinc/80/88/85/595808885.db2.gz CAHKPQSDDPEJNG-NUJGCVRESA-N 2 2 346.475 1.975 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000853592031 595819675 /nfs/dbraw/zinc/81/96/75/595819675.db2.gz AXYCMDQRDRRVMM-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000853592031 595819678 /nfs/dbraw/zinc/81/96/78/595819678.db2.gz AXYCMDQRDRRVMM-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000858549705 595825921 /nfs/dbraw/zinc/82/59/21/595825921.db2.gz ZJCPFKRLKQENPQ-LSDHHAIUSA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000858549705 595825924 /nfs/dbraw/zinc/82/59/24/595825924.db2.gz ZJCPFKRLKQENPQ-LSDHHAIUSA-N 2 2 327.469 1.432 20 0 EDADLP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)C(C)C ZINC000118118757 595920136 /nfs/dbraw/zinc/92/01/36/595920136.db2.gz KNEGLSUDNPXVEE-UHFFFAOYSA-N 2 2 344.419 1.052 20 0 EDADLP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)C(C)C ZINC000118118757 595920139 /nfs/dbraw/zinc/92/01/39/595920139.db2.gz KNEGLSUDNPXVEE-UHFFFAOYSA-N 2 2 344.419 1.052 20 0 EDADLP C[N@H+](C[C@H]1COC(C)(C)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851958089 595985578 /nfs/dbraw/zinc/98/55/78/595985578.db2.gz XYLUYEVPXFBRCU-HKUYNNGSSA-N 2 2 334.460 1.707 20 0 EDADLP C[N@@H+](C[C@H]1COC(C)(C)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851958089 595985583 /nfs/dbraw/zinc/98/55/83/595985583.db2.gz XYLUYEVPXFBRCU-HKUYNNGSSA-N 2 2 334.460 1.707 20 0 EDADLP C[NH+](C[C@H]1COC(C)(C)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000851958089 595985588 /nfs/dbraw/zinc/98/55/88/595985588.db2.gz XYLUYEVPXFBRCU-HKUYNNGSSA-N 2 2 334.460 1.707 20 0 EDADLP C[NH+](C[C@H]1COC(C)(C)O1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000851958089 595985590 /nfs/dbraw/zinc/98/55/90/595985590.db2.gz XYLUYEVPXFBRCU-HKUYNNGSSA-N 2 2 334.460 1.707 20 0 EDADLP CN(C)c1nc(N)nc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000859214280 596006481 /nfs/dbraw/zinc/00/64/81/596006481.db2.gz HUQHYRWKRFURRD-UHFFFAOYSA-N 2 2 329.452 1.213 20 0 EDADLP CN(C)c1nc(N)nc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000859214280 596006483 /nfs/dbraw/zinc/00/64/83/596006483.db2.gz HUQHYRWKRFURRD-UHFFFAOYSA-N 2 2 329.452 1.213 20 0 EDADLP Cc1cc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000861542630 596022967 /nfs/dbraw/zinc/02/29/67/596022967.db2.gz QKOHGVWOONXOGU-CYBMUJFWSA-N 2 2 342.399 1.926 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856612995 596035120 /nfs/dbraw/zinc/03/51/20/596035120.db2.gz UKKPWIXMFRADKG-CWRNSKLLSA-N 2 2 346.475 1.530 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c21)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861635738 596053694 /nfs/dbraw/zinc/05/36/94/596053694.db2.gz SZOKDOJZLBFAHH-CABCVRRESA-N 2 2 333.436 1.128 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)NCC[C@H](C)[NH3+])CC2)cc1F ZINC000857113666 596160397 /nfs/dbraw/zinc/16/03/97/596160397.db2.gz FNZQMPMOHXAHOS-ZDUSSCGKSA-N 2 2 338.427 1.399 20 0 EDADLP C[C@@H](CNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000868674886 596266629 /nfs/dbraw/zinc/26/66/29/596266629.db2.gz COTGNWRFFRISIU-ZDUSSCGKSA-N 2 2 342.484 1.042 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000866697536 596298145 /nfs/dbraw/zinc/29/81/45/596298145.db2.gz RTVGZPPLSYDTAS-UHFFFAOYSA-N 2 2 325.478 1.511 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[NH2+]CCC2(C)C)cc1 ZINC000866697536 596298148 /nfs/dbraw/zinc/29/81/48/596298148.db2.gz RTVGZPPLSYDTAS-UHFFFAOYSA-N 2 2 325.478 1.511 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C/C3CCOCC3)c2)CC1 ZINC000870666660 596315408 /nfs/dbraw/zinc/31/54/08/596315408.db2.gz CTRVLAGRQCNICY-NSCUHMNNSA-N 2 2 330.432 1.755 20 0 EDADLP COc1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)ccc1OC(=O)C1CC1 ZINC000862532217 596341266 /nfs/dbraw/zinc/34/12/66/596341266.db2.gz SYRLRBLTXOZDOR-OAHLLOKOSA-N 2 2 334.416 1.167 20 0 EDADLP COc1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)ccc1OC(=O)C1CC1 ZINC000862532217 596341270 /nfs/dbraw/zinc/34/12/70/596341270.db2.gz SYRLRBLTXOZDOR-OAHLLOKOSA-N 2 2 334.416 1.167 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864888277 596405392 /nfs/dbraw/zinc/40/53/92/596405392.db2.gz WWYUXXSUITXZAM-SPCWZHTESA-N 2 2 337.508 1.749 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864888277 596405394 /nfs/dbraw/zinc/40/53/94/596405394.db2.gz WWYUXXSUITXZAM-SPCWZHTESA-N 2 2 337.508 1.749 20 0 EDADLP CN(C(=O)/C=C/C[NH+]1CCOCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000867538187 596421319 /nfs/dbraw/zinc/42/13/19/596421319.db2.gz GVWJORRATXXHII-CMDGGOBGSA-N 2 2 337.508 1.988 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C1(C)C ZINC000870979201 596426427 /nfs/dbraw/zinc/42/64/27/596426427.db2.gz IFWBZBMIYDQBDK-MDZRGWNJSA-N 2 2 331.460 1.822 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C1(C)C ZINC000870979201 596426429 /nfs/dbraw/zinc/42/64/29/596426429.db2.gz IFWBZBMIYDQBDK-MDZRGWNJSA-N 2 2 331.460 1.822 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C1(C)C ZINC000870979200 596426610 /nfs/dbraw/zinc/42/66/10/596426610.db2.gz IFWBZBMIYDQBDK-GPMSIDNRSA-N 2 2 331.460 1.822 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C1(C)C ZINC000870979200 596426612 /nfs/dbraw/zinc/42/66/12/596426612.db2.gz IFWBZBMIYDQBDK-GPMSIDNRSA-N 2 2 331.460 1.822 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000870979574 596426623 /nfs/dbraw/zinc/42/66/23/596426623.db2.gz PBJBRQUSMGUSSV-YVEFUNNKSA-N 2 2 325.416 1.403 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000870979574 596426625 /nfs/dbraw/zinc/42/66/25/596426625.db2.gz PBJBRQUSMGUSSV-YVEFUNNKSA-N 2 2 325.416 1.403 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)c3cc(C4CC[NH2+]CC4)no3)cc2C1 ZINC000871010827 596438106 /nfs/dbraw/zinc/43/81/06/596438106.db2.gz IYRQOHNECBRBOH-UHFFFAOYSA-N 2 2 330.392 1.036 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)c3cc(C4CC[NH2+]CC4)no3)cc2C1 ZINC000871010827 596438108 /nfs/dbraw/zinc/43/81/08/596438108.db2.gz IYRQOHNECBRBOH-UHFFFAOYSA-N 2 2 330.392 1.036 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000865010543 596442845 /nfs/dbraw/zinc/44/28/45/596442845.db2.gz SJXGNDFXDPPJGE-UHFFFAOYSA-N 2 2 334.395 1.197 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000865010543 596442848 /nfs/dbraw/zinc/44/28/48/596442848.db2.gz SJXGNDFXDPPJGE-UHFFFAOYSA-N 2 2 334.395 1.197 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000865040773 596452995 /nfs/dbraw/zinc/45/29/95/596452995.db2.gz YIHZAWMAMWTRFQ-TWGQIWQCSA-N 2 2 331.460 1.465 20 0 EDADLP COc1ccc(C=O)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000869237911 596457069 /nfs/dbraw/zinc/45/70/69/596457069.db2.gz WPKIYCONLWTUDP-AWEZNQCLSA-N 2 2 335.448 1.510 20 0 EDADLP COc1ccc(C=O)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000869237911 596457071 /nfs/dbraw/zinc/45/70/71/596457071.db2.gz WPKIYCONLWTUDP-AWEZNQCLSA-N 2 2 335.448 1.510 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000865199643 596513332 /nfs/dbraw/zinc/51/33/32/596513332.db2.gz SRCOZWPHVRRQGP-HOTGVXAUSA-N 2 2 346.406 1.074 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000865414959 596567337 /nfs/dbraw/zinc/56/73/37/596567337.db2.gz DZKWSSLKFKLOMO-JZXOWHBKSA-N 2 2 335.496 1.915 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000865414959 596567339 /nfs/dbraw/zinc/56/73/39/596567339.db2.gz DZKWSSLKFKLOMO-JZXOWHBKSA-N 2 2 335.496 1.915 20 0 EDADLP OC1CC[NH+](CCC[NH2+]Cc2cccnc2Br)CC1 ZINC000865427325 596571710 /nfs/dbraw/zinc/57/17/10/596571710.db2.gz RETQFZWKOJYECJ-UHFFFAOYSA-N 2 2 328.254 1.781 20 0 EDADLP C[C@@H](c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1)N1CC[NH2+]CC1=O ZINC000863661249 596646896 /nfs/dbraw/zinc/64/68/96/596646896.db2.gz KSNJCWYUUTVNHH-LBPRGKRZSA-N 2 2 338.371 1.415 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)C[N@@H+]1C1CC1 ZINC000865773351 596678211 /nfs/dbraw/zinc/67/82/11/596678211.db2.gz PCAGTMVQVKEWDX-CJNGLKHVSA-N 2 2 342.443 1.453 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)C[N@H+]1C1CC1 ZINC000865773351 596678214 /nfs/dbraw/zinc/67/82/14/596678214.db2.gz PCAGTMVQVKEWDX-CJNGLKHVSA-N 2 2 342.443 1.453 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865791748 596684905 /nfs/dbraw/zinc/68/49/05/596684905.db2.gz KESBYRIZQPWRBG-AATRIKPKSA-N 2 2 337.508 1.845 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865791748 596684907 /nfs/dbraw/zinc/68/49/07/596684907.db2.gz KESBYRIZQPWRBG-AATRIKPKSA-N 2 2 337.508 1.845 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)/C=C\C[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000870144898 596771012 /nfs/dbraw/zinc/77/10/12/596771012.db2.gz IBXNZACYHNABTF-KVLZDYKBSA-N 2 2 345.443 1.057 20 0 EDADLP CCOC(=O)[C@H](C)C1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000871993759 596784177 /nfs/dbraw/zinc/78/41/77/596784177.db2.gz PPLWDUKZPDWUSK-CRAIPNDOSA-N 2 2 334.460 1.610 20 0 EDADLP CCOC(=O)[C@H](C)C1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000871993759 596784179 /nfs/dbraw/zinc/78/41/79/596784179.db2.gz PPLWDUKZPDWUSK-CRAIPNDOSA-N 2 2 334.460 1.610 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCC[C@H]3CCOC3=O)c2cc1C ZINC000872244477 596851840 /nfs/dbraw/zinc/85/18/40/596851840.db2.gz LRALYNQVWYNDDI-JKSUJKDBSA-N 2 2 345.443 1.947 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c2ccccc2C1 ZINC000866413968 596880322 /nfs/dbraw/zinc/88/03/22/596880322.db2.gz XPHCCJVOVZHGGK-PKOBYXMFSA-N 2 2 345.487 1.915 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c2ccccc2C1 ZINC000866413968 596880324 /nfs/dbraw/zinc/88/03/24/596880324.db2.gz XPHCCJVOVZHGGK-PKOBYXMFSA-N 2 2 345.487 1.915 20 0 EDADLP c1ncn(-c2cc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)ccn2)n1 ZINC000866431767 596885517 /nfs/dbraw/zinc/88/55/17/596885517.db2.gz BWBZGKMQBOYUAI-UHFFFAOYSA-N 2 2 349.442 1.812 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)N[C@@H](C)C[NH+](C)C)Cc3ccc[nH+]c3N2C1 ZINC000875583105 596905426 /nfs/dbraw/zinc/90/54/26/596905426.db2.gz KLQHHWBJZGUBSE-NUEKZKHPSA-N 2 2 347.463 1.151 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[NH+]3CCCC3)c[nH+]2)C[C@H](C)O1 ZINC000874041922 596905472 /nfs/dbraw/zinc/90/54/72/596905472.db2.gz MMFRGCHOPCYFMO-GASCZTMLSA-N 2 2 332.448 1.407 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000875872969 597019588 /nfs/dbraw/zinc/01/95/88/597019588.db2.gz LBILFEDWMJZVKJ-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000875872969 597019590 /nfs/dbraw/zinc/01/95/90/597019590.db2.gz LBILFEDWMJZVKJ-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000875872969 597019592 /nfs/dbraw/zinc/01/95/92/597019592.db2.gz LBILFEDWMJZVKJ-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000875872969 597019594 /nfs/dbraw/zinc/01/95/94/597019594.db2.gz LBILFEDWMJZVKJ-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)cc2[nH+]1 ZINC000874366234 597038783 /nfs/dbraw/zinc/03/87/83/597038783.db2.gz HAKZKJFBLCLLOU-LSDHHAIUSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)cc2[nH+]1 ZINC000874366234 597038785 /nfs/dbraw/zinc/03/87/85/597038785.db2.gz HAKZKJFBLCLLOU-LSDHHAIUSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1ccc2oc(=O)n(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)c2c1 ZINC000872731570 597049912 /nfs/dbraw/zinc/04/99/12/597049912.db2.gz CGIRTKQCEPTCEV-UHFFFAOYSA-N 2 2 344.459 1.572 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000876088439 597084115 /nfs/dbraw/zinc/08/41/15/597084115.db2.gz FYBOWOJXDRNLKK-GOSISDBHSA-N 2 2 346.475 1.201 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000876088439 597084117 /nfs/dbraw/zinc/08/41/17/597084117.db2.gz FYBOWOJXDRNLKK-GOSISDBHSA-N 2 2 346.475 1.201 20 0 EDADLP Cc1ccccc1CN1CCO[C@H](C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000873248286 597239418 /nfs/dbraw/zinc/23/94/18/597239418.db2.gz CNYALQWYTSGIEP-YZGWKJHDSA-N 2 2 347.503 1.552 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C3=CC[C@H]([NH3+])C3)CC2)cc1 ZINC000876785401 597339494 /nfs/dbraw/zinc/33/94/94/597339494.db2.gz XKIZXUAMQXTJOQ-HNNXBMFYSA-N 2 2 328.460 1.885 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876907054 597380173 /nfs/dbraw/zinc/38/01/73/597380173.db2.gz NLEUQZWBVJWFKV-MLGOLLRUSA-N 2 2 339.842 1.762 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876907054 597380177 /nfs/dbraw/zinc/38/01/77/597380177.db2.gz NLEUQZWBVJWFKV-MLGOLLRUSA-N 2 2 339.842 1.762 20 0 EDADLP Cc1cc(NCCNC(=O)/C=C/[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000877026779 597415280 /nfs/dbraw/zinc/41/52/80/597415280.db2.gz HEWZPWWNXQTCEY-LQYUOIDQSA-N 2 2 331.464 1.992 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000875427460 597424340 /nfs/dbraw/zinc/42/43/40/597424340.db2.gz NUTJZQCFEVUDGF-SJLPKXTDSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000875427460 597424341 /nfs/dbraw/zinc/42/43/41/597424341.db2.gz NUTJZQCFEVUDGF-SJLPKXTDSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000875427460 597424343 /nfs/dbraw/zinc/42/43/43/597424343.db2.gz NUTJZQCFEVUDGF-SJLPKXTDSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000875427460 597424344 /nfs/dbraw/zinc/42/43/44/597424344.db2.gz NUTJZQCFEVUDGF-SJLPKXTDSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000875535649 597468572 /nfs/dbraw/zinc/46/85/72/597468572.db2.gz QXDMZPAQPFFVCN-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000875535649 597468575 /nfs/dbraw/zinc/46/85/75/597468575.db2.gz QXDMZPAQPFFVCN-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000875535649 597468577 /nfs/dbraw/zinc/46/85/77/597468577.db2.gz QXDMZPAQPFFVCN-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000877230081 597469757 /nfs/dbraw/zinc/46/97/57/597469757.db2.gz WPQLBURCXSDFOO-MRXNPFEDSA-N 2 2 340.427 1.433 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000877230081 597469758 /nfs/dbraw/zinc/46/97/58/597469758.db2.gz WPQLBURCXSDFOO-MRXNPFEDSA-N 2 2 340.427 1.433 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000877231263 597470536 /nfs/dbraw/zinc/47/05/36/597470536.db2.gz MKVSVRAUWMURFG-QGZVFWFLSA-N 2 2 343.427 1.678 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000877231263 597470537 /nfs/dbraw/zinc/47/05/37/597470537.db2.gz MKVSVRAUWMURFG-QGZVFWFLSA-N 2 2 343.427 1.678 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC000877247474 597477783 /nfs/dbraw/zinc/47/77/83/597477783.db2.gz LXSPGGISIYPQTK-MOPGFXCFSA-N 2 2 339.439 1.868 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000877247474 597477784 /nfs/dbraw/zinc/47/77/84/597477784.db2.gz LXSPGGISIYPQTK-MOPGFXCFSA-N 2 2 339.439 1.868 20 0 EDADLP CC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCC[NH2+]1 ZINC000877248379 597478939 /nfs/dbraw/zinc/47/89/39/597478939.db2.gz LHXFCHVUCPYMOR-AZUAARDMSA-N 2 2 345.487 1.844 20 0 EDADLP CC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCC[NH2+]1 ZINC000877248379 597478940 /nfs/dbraw/zinc/47/89/40/597478940.db2.gz LHXFCHVUCPYMOR-AZUAARDMSA-N 2 2 345.487 1.844 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)CC2 ZINC000877355620 597499739 /nfs/dbraw/zinc/49/97/39/597499739.db2.gz NSJSCAMNJPUKIF-WOPDTQHZSA-N 2 2 330.354 1.350 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)[nH+]c12 ZINC000877359580 597500989 /nfs/dbraw/zinc/50/09/89/597500989.db2.gz IVAVOFBZRGAEEZ-DGCLKSJQSA-N 2 2 340.349 1.781 20 0 EDADLP COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000877715194 597550428 /nfs/dbraw/zinc/55/04/28/597550428.db2.gz WEBQAAUTOMXVSZ-SFHVURJKSA-N 2 2 340.383 1.766 20 0 EDADLP COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000877715194 597550429 /nfs/dbraw/zinc/55/04/29/597550429.db2.gz WEBQAAUTOMXVSZ-SFHVURJKSA-N 2 2 340.383 1.766 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)CC1 ZINC000877747406 597552800 /nfs/dbraw/zinc/55/28/00/597552800.db2.gz KJJWHCLTVCPXIX-UHFFFAOYSA-N 2 2 344.507 1.289 20 0 EDADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@H]21 ZINC000879578716 597640843 /nfs/dbraw/zinc/64/08/43/597640843.db2.gz GRJQAABYRATKAH-BZUAXINKSA-N 2 2 339.480 1.648 20 0 EDADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@H]21 ZINC000879578716 597640844 /nfs/dbraw/zinc/64/08/44/597640844.db2.gz GRJQAABYRATKAH-BZUAXINKSA-N 2 2 339.480 1.648 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@H]21 ZINC000879578716 597640847 /nfs/dbraw/zinc/64/08/47/597640847.db2.gz GRJQAABYRATKAH-BZUAXINKSA-N 2 2 339.480 1.648 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@H]21 ZINC000879578716 597640848 /nfs/dbraw/zinc/64/08/48/597640848.db2.gz GRJQAABYRATKAH-BZUAXINKSA-N 2 2 339.480 1.648 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC000879591428 597648312 /nfs/dbraw/zinc/64/83/12/597648312.db2.gz WIUQCKGQMGYPJH-IAGOWNOFSA-N 2 2 336.524 1.203 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878669732 597673452 /nfs/dbraw/zinc/67/34/52/597673452.db2.gz AZDRVXUJKBHYPM-KRWDZBQOSA-N 2 2 340.508 1.787 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878693486 597680853 /nfs/dbraw/zinc/68/08/53/597680853.db2.gz AYEDUCRDOVYZKE-QGZVFWFLSA-N 2 2 338.492 1.541 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000878694557 597681513 /nfs/dbraw/zinc/68/15/13/597681513.db2.gz VFTLRCQIQBRNHU-RBUKOAKNSA-N 2 2 348.487 1.298 20 0 EDADLP COC(=O)c1ccc(OC)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000878770352 597706215 /nfs/dbraw/zinc/70/62/15/597706215.db2.gz WJXZJNSJMBJKFR-UHFFFAOYSA-N 2 2 348.443 1.778 20 0 EDADLP COC(=O)c1ccc(OC)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000878770352 597706217 /nfs/dbraw/zinc/70/62/17/597706217.db2.gz WJXZJNSJMBJKFR-UHFFFAOYSA-N 2 2 348.443 1.778 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879756477 597712676 /nfs/dbraw/zinc/71/26/76/597712676.db2.gz WNAPOEISFZBART-XHSDSOJGSA-N 2 2 341.496 1.773 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879756477 597712680 /nfs/dbraw/zinc/71/26/80/597712680.db2.gz WNAPOEISFZBART-XHSDSOJGSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879756477 597712682 /nfs/dbraw/zinc/71/26/82/597712682.db2.gz WNAPOEISFZBART-XHSDSOJGSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879756477 597712685 /nfs/dbraw/zinc/71/26/85/597712685.db2.gz WNAPOEISFZBART-XHSDSOJGSA-N 2 2 341.496 1.773 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000878829322 597727094 /nfs/dbraw/zinc/72/70/94/597727094.db2.gz HPUOPPZJRBMIRH-OAHLLOKOSA-N 2 2 344.419 1.500 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000878829322 597727096 /nfs/dbraw/zinc/72/70/96/597727096.db2.gz HPUOPPZJRBMIRH-OAHLLOKOSA-N 2 2 344.419 1.500 20 0 EDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000738435932 599274575 /nfs/dbraw/zinc/27/45/75/599274575.db2.gz FTIBSPMZFBCQLC-GFCCVEGCSA-N 2 2 335.415 1.733 20 0 EDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000738435932 599274576 /nfs/dbraw/zinc/27/45/76/599274576.db2.gz FTIBSPMZFBCQLC-GFCCVEGCSA-N 2 2 335.415 1.733 20 0 EDADLP O[C@H](C[C@@H](O)c1ccccc1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000878993933 597778243 /nfs/dbraw/zinc/77/82/43/597778243.db2.gz QGNZUQYEPVRYLB-IPMKNSEASA-N 2 2 334.460 1.002 20 0 EDADLP O[C@H](C[C@@H](O)c1ccccc1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000878993933 597778247 /nfs/dbraw/zinc/77/82/47/597778247.db2.gz QGNZUQYEPVRYLB-IPMKNSEASA-N 2 2 334.460 1.002 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879213577 597850910 /nfs/dbraw/zinc/85/09/10/597850910.db2.gz NKIQKCRGBSNNPN-IIAWOOMASA-N 2 2 341.496 1.534 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879213577 597850911 /nfs/dbraw/zinc/85/09/11/597850911.db2.gz NKIQKCRGBSNNPN-IIAWOOMASA-N 2 2 341.496 1.534 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879213577 597850914 /nfs/dbraw/zinc/85/09/14/597850914.db2.gz NKIQKCRGBSNNPN-IIAWOOMASA-N 2 2 341.496 1.534 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879213577 597850917 /nfs/dbraw/zinc/85/09/17/597850917.db2.gz NKIQKCRGBSNNPN-IIAWOOMASA-N 2 2 341.496 1.534 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)CCN1c1cc[nH+]cc1 ZINC000880260008 597885743 /nfs/dbraw/zinc/88/57/43/597885743.db2.gz MBQMEWZERWNKAL-CRAIPNDOSA-N 2 2 344.459 1.230 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)CCN1c1cc[nH+]cc1 ZINC000880260008 597885744 /nfs/dbraw/zinc/88/57/44/597885744.db2.gz MBQMEWZERWNKAL-CRAIPNDOSA-N 2 2 344.459 1.230 20 0 EDADLP CC1([NH+]2CCCCC2)CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000882512342 597982578 /nfs/dbraw/zinc/98/25/78/597982578.db2.gz TWRQYUPNPRYNII-UHFFFAOYSA-N 2 2 340.493 1.553 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)n1C ZINC000884219240 598032791 /nfs/dbraw/zinc/03/27/91/598032791.db2.gz KQKRHPZXRVBJKS-OAHLLOKOSA-N 2 2 340.431 1.154 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc[nH+]1 ZINC000882821353 598070722 /nfs/dbraw/zinc/07/07/22/598070722.db2.gz SBUAZFNRLCOHRW-ZIAGYGMSSA-N 2 2 328.420 1.379 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)[nH+]cn1 ZINC000882821353 598070723 /nfs/dbraw/zinc/07/07/23/598070723.db2.gz SBUAZFNRLCOHRW-ZIAGYGMSSA-N 2 2 328.420 1.379 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC3CC3)C2)cc1 ZINC000884470003 598114559 /nfs/dbraw/zinc/11/45/59/598114559.db2.gz BWIGWKWOGQUMPD-ROUUACIJSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC3CC3)C2)cc1 ZINC000884470003 598114562 /nfs/dbraw/zinc/11/45/62/598114562.db2.gz BWIGWKWOGQUMPD-ROUUACIJSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1[nH+]ccn1CCCCn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881360063 598133391 /nfs/dbraw/zinc/13/33/91/598133391.db2.gz COEQPGWOGHKSDT-UHFFFAOYSA-N 2 2 332.452 1.528 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCc2cnn(C)c2)[C@H]1C ZINC000994299572 696728391 /nfs/dbraw/zinc/72/83/91/696728391.db2.gz WWOAOLTYXXIOEB-GOEBONIOSA-N 2 2 344.463 1.206 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@H]1C ZINC000994299572 696728394 /nfs/dbraw/zinc/72/83/94/696728394.db2.gz WWOAOLTYXXIOEB-GOEBONIOSA-N 2 2 344.463 1.206 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914153426 695164314 /nfs/dbraw/zinc/16/43/14/695164314.db2.gz AVVNVBHFFHLVGT-GJZGRUSLSA-N 2 2 349.504 1.763 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914153426 695164316 /nfs/dbraw/zinc/16/43/16/695164316.db2.gz AVVNVBHFFHLVGT-GJZGRUSLSA-N 2 2 349.504 1.763 20 0 EDADLP Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cc1 ZINC000939856765 699995941 /nfs/dbraw/zinc/99/59/41/699995941.db2.gz PLUGESUZARCPKL-FUHWJXTLSA-N 2 2 326.444 1.871 20 0 EDADLP Cc1nc(C(C)C)oc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939858067 699997159 /nfs/dbraw/zinc/99/71/59/699997159.db2.gz XCSHEWQCAKEELA-UKRRQHHQSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1ncsc1CC[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001031051417 695387192 /nfs/dbraw/zinc/38/71/92/695387192.db2.gz ZTFOBAIFUWRWMP-UHFFFAOYSA-N 2 2 336.505 1.526 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC000992831150 695394388 /nfs/dbraw/zinc/39/43/88/695394388.db2.gz HWSCVOHOMYSEGJ-SZMVWBNQSA-N 2 2 339.443 1.764 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCOCC3)[C@H]2C1 ZINC000992882406 695428817 /nfs/dbraw/zinc/42/88/17/695428817.db2.gz ZQNKOHUJMIWDDV-YESZJQIVSA-N 2 2 346.475 1.596 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nncs3)[C@H]2C1 ZINC000992908673 695445051 /nfs/dbraw/zinc/44/50/51/695445051.db2.gz ACDBJUUZNXLULA-IHRRRGAJSA-N 2 2 346.460 1.152 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)cc1 ZINC000915042413 695720760 /nfs/dbraw/zinc/72/07/60/695720760.db2.gz YTETXUXVWYCAGT-UYAOXDASSA-N 2 2 345.487 1.348 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)CC2)cc1 ZINC000915042413 695720762 /nfs/dbraw/zinc/72/07/62/695720762.db2.gz YTETXUXVWYCAGT-UYAOXDASSA-N 2 2 345.487 1.348 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000915137707 695748789 /nfs/dbraw/zinc/74/87/89/695748789.db2.gz ZUIQFLZBLZZYKE-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000915137707 695748791 /nfs/dbraw/zinc/74/87/91/695748791.db2.gz ZUIQFLZBLZZYKE-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@@H+]1CCO ZINC000993398793 696047433 /nfs/dbraw/zinc/04/74/33/696047433.db2.gz SNQSSUOVOFRGHC-GXTWGEPZSA-N 2 2 325.478 1.385 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@H+]1CCO ZINC000993398793 696047435 /nfs/dbraw/zinc/04/74/35/696047435.db2.gz SNQSSUOVOFRGHC-GXTWGEPZSA-N 2 2 325.478 1.385 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](CC[C@H]3CC3(Cl)Cl)C2)C1 ZINC001031260191 696067189 /nfs/dbraw/zinc/06/71/89/696067189.db2.gz NAYBGMYRBOLCNP-RYUDHWBXSA-N 2 2 334.291 1.713 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](CC[C@H]3CC3(Cl)Cl)C2)C1 ZINC001031260191 696067195 /nfs/dbraw/zinc/06/71/95/696067195.db2.gz NAYBGMYRBOLCNP-RYUDHWBXSA-N 2 2 334.291 1.713 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031260704 696067584 /nfs/dbraw/zinc/06/75/84/696067584.db2.gz SXQSYFLKJWILSR-KRWDZBQOSA-N 2 2 345.487 1.824 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031260704 696067587 /nfs/dbraw/zinc/06/75/87/696067587.db2.gz SXQSYFLKJWILSR-KRWDZBQOSA-N 2 2 345.487 1.824 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)on1 ZINC000993604120 696253982 /nfs/dbraw/zinc/25/39/82/696253982.db2.gz CEQSHNDPENLDSP-ZBFHGGJFSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)on1 ZINC000993604120 696253984 /nfs/dbraw/zinc/25/39/84/696253984.db2.gz CEQSHNDPENLDSP-ZBFHGGJFSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)o2)[C@H]1C ZINC000993629632 696292342 /nfs/dbraw/zinc/29/23/42/696292342.db2.gz ZNPQUSASJAHGLS-XJKSGUPXSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)o2)[C@H]1C ZINC000993629632 696292343 /nfs/dbraw/zinc/29/23/43/696292343.db2.gz ZNPQUSASJAHGLS-XJKSGUPXSA-N 2 2 331.420 1.657 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1nccs1 ZINC000993758808 696351745 /nfs/dbraw/zinc/35/17/45/696351745.db2.gz JEVWVVHOGDBBFI-ZFWWWQNUSA-N 2 2 336.505 1.954 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1nccs1 ZINC000993758808 696351748 /nfs/dbraw/zinc/35/17/48/696351748.db2.gz JEVWVVHOGDBBFI-ZFWWWQNUSA-N 2 2 336.505 1.954 20 0 EDADLP CCn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)n1 ZINC000993760089 696352803 /nfs/dbraw/zinc/35/28/03/696352803.db2.gz MEFXSAIBZAYISO-MAUKXSAKSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)n1 ZINC000993760089 696352805 /nfs/dbraw/zinc/35/28/05/696352805.db2.gz MEFXSAIBZAYISO-MAUKXSAKSA-N 2 2 347.507 1.714 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1Cc1cncn1C ZINC000993801905 696378449 /nfs/dbraw/zinc/37/84/49/696378449.db2.gz DDZBAXBAZFSPKR-NVXWUHKLSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1Cc1cncn1C ZINC000993801905 696378451 /nfs/dbraw/zinc/37/84/51/696378451.db2.gz DDZBAXBAZFSPKR-NVXWUHKLSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cncn1C ZINC000993801905 696378457 /nfs/dbraw/zinc/37/84/57/696378457.db2.gz DDZBAXBAZFSPKR-NVXWUHKLSA-N 2 2 347.507 1.621 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000994153689 696546276 /nfs/dbraw/zinc/54/62/76/696546276.db2.gz AGZUPPVRIAKPSH-GDBMZVCRSA-N 2 2 343.431 1.496 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000994153689 696546280 /nfs/dbraw/zinc/54/62/80/696546280.db2.gz AGZUPPVRIAKPSH-GDBMZVCRSA-N 2 2 343.431 1.496 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccnn2C)[C@@H]1C ZINC000994298662 696734942 /nfs/dbraw/zinc/73/49/42/696734942.db2.gz OZSQEUAMGKKXPX-GDBMZVCRSA-N 2 2 344.463 1.206 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccnn2C)[C@@H]1C ZINC000994298662 696734943 /nfs/dbraw/zinc/73/49/43/696734943.db2.gz OZSQEUAMGKKXPX-GDBMZVCRSA-N 2 2 344.463 1.206 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccnn2C)[C@H]1C ZINC000994298665 696735106 /nfs/dbraw/zinc/73/51/06/696735106.db2.gz OZSQEUAMGKKXPX-GOEBONIOSA-N 2 2 344.463 1.206 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccnn2C)[C@H]1C ZINC000994298665 696735108 /nfs/dbraw/zinc/73/51/08/696735108.db2.gz OZSQEUAMGKKXPX-GOEBONIOSA-N 2 2 344.463 1.206 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000916874601 696803850 /nfs/dbraw/zinc/80/38/50/696803850.db2.gz YPZWVJYMPOZREK-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000916874601 696803851 /nfs/dbraw/zinc/80/38/51/696803851.db2.gz YPZWVJYMPOZREK-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP Cc1ncoc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994420794 696841971 /nfs/dbraw/zinc/84/19/71/696841971.db2.gz KWGIFPMHQRXMDW-UKRRQHHQSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994420794 696841975 /nfs/dbraw/zinc/84/19/75/696841975.db2.gz KWGIFPMHQRXMDW-UKRRQHHQSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1cncc(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)c1 ZINC000994511157 696955727 /nfs/dbraw/zinc/95/57/27/696955727.db2.gz VOJYWWKGTYFOBX-RDJZCZTQSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1cncc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)c1 ZINC000994511157 696955730 /nfs/dbraw/zinc/95/57/30/696955730.db2.gz VOJYWWKGTYFOBX-RDJZCZTQSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001031391267 697018320 /nfs/dbraw/zinc/01/83/20/697018320.db2.gz CDAOCCNBFDPNLR-UHFFFAOYSA-N 2 2 326.391 1.817 20 0 EDADLP COC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000918905938 697222548 /nfs/dbraw/zinc/22/25/48/697222548.db2.gz JGSFYWKLUNWTFF-JKSUJKDBSA-N 2 2 340.512 1.373 20 0 EDADLP COC[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000918905938 697222549 /nfs/dbraw/zinc/22/25/49/697222549.db2.gz JGSFYWKLUNWTFF-JKSUJKDBSA-N 2 2 340.512 1.373 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000921331214 697558206 /nfs/dbraw/zinc/55/82/06/697558206.db2.gz YPIOOSDZDSCYDA-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(OC)ccn2)C1 ZINC001031711658 697719631 /nfs/dbraw/zinc/71/96/31/697719631.db2.gz JRHVYTHWMJVTLS-GOSISDBHSA-N 2 2 346.475 1.513 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943174774 697867389 /nfs/dbraw/zinc/86/73/89/697867389.db2.gz DHNTXPXEXWWNCF-IUODEOHRSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943174774 697867393 /nfs/dbraw/zinc/86/73/93/697867393.db2.gz DHNTXPXEXWWNCF-IUODEOHRSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001031730207 698066479 /nfs/dbraw/zinc/06/64/79/698066479.db2.gz HBVOTMQOQXRKTB-QGZVFWFLSA-N 2 2 339.443 1.712 20 0 EDADLP CCc1noc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000995040581 700241171 /nfs/dbraw/zinc/24/11/71/700241171.db2.gz XIRPVHUUGGVSGV-KGLIPLIRSA-N 2 2 346.435 1.212 20 0 EDADLP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943755702 698829392 /nfs/dbraw/zinc/82/93/92/698829392.db2.gz HMMJUFIWVAAVLG-GDBMZVCRSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943755702 698829395 /nfs/dbraw/zinc/82/93/95/698829395.db2.gz HMMJUFIWVAAVLG-GDBMZVCRSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943756138 698829981 /nfs/dbraw/zinc/82/99/81/698829981.db2.gz LQHUBNOVEPCIBU-IAQYHMDHSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943756138 698829988 /nfs/dbraw/zinc/82/99/88/698829988.db2.gz LQHUBNOVEPCIBU-IAQYHMDHSA-N 2 2 331.420 1.584 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3nccn3C)C[C@@H]2C)CC1 ZINC000943756315 698831757 /nfs/dbraw/zinc/83/17/57/698831757.db2.gz OGXGAEIZVUXFOX-IRXDYDNUSA-N 2 2 347.507 1.479 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)C[C@@H]2C)CC1 ZINC000943756315 698831761 /nfs/dbraw/zinc/83/17/61/698831761.db2.gz OGXGAEIZVUXFOX-IRXDYDNUSA-N 2 2 347.507 1.479 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995153655 701553222 /nfs/dbraw/zinc/55/32/22/701553222.db2.gz PYCNTQDRLVEPAS-OCCSQVGLSA-N 2 2 331.395 1.561 20 0 EDADLP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000943878245 698984380 /nfs/dbraw/zinc/98/43/80/698984380.db2.gz QLEDNZAUIUIADC-YJBOKZPZSA-N 2 2 342.443 1.695 20 0 EDADLP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000943878245 698984383 /nfs/dbraw/zinc/98/43/83/698984383.db2.gz QLEDNZAUIUIADC-YJBOKZPZSA-N 2 2 342.443 1.695 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772722 699123019 /nfs/dbraw/zinc/12/30/19/699123019.db2.gz JCJYAVVIWIUBRC-CYBMUJFWSA-N 2 2 328.416 1.651 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939128727 699207446 /nfs/dbraw/zinc/20/74/46/699207446.db2.gz OURKDTIUSPQKIP-DZGCQCFKSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1C[NH+](C[C@@H]3CCCCO3)C1)CC2 ZINC001031788965 699240335 /nfs/dbraw/zinc/24/03/35/699240335.db2.gz LGQBWPQJVNCEPB-CVEARBPZSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)sc1C ZINC000939210747 699358422 /nfs/dbraw/zinc/35/84/22/699358422.db2.gz PGZDKQNDBXVPSL-HZMBPMFUSA-N 2 2 333.461 1.662 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000939213420 699362649 /nfs/dbraw/zinc/36/26/49/699362649.db2.gz DGJNKPJYTSLXKS-ZBEGNZNMSA-N 2 2 334.370 1.867 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939236354 699405234 /nfs/dbraw/zinc/40/52/34/699405234.db2.gz PEOMOAXHPWDLRT-XJKSGUPXSA-N 2 2 345.447 1.940 20 0 EDADLP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1csnn1 ZINC000939259724 699437703 /nfs/dbraw/zinc/43/77/03/699437703.db2.gz VZBUHSWPOCRGHF-WFASDCNBSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939408437 699562874 /nfs/dbraw/zinc/56/28/74/699562874.db2.gz OAZCTZVAWBDDMY-AAEUAGOBSA-N 2 2 333.823 1.637 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000939409292 699563572 /nfs/dbraw/zinc/56/35/72/699563572.db2.gz SFZQCRAGKIBBER-UKRRQHHQSA-N 2 2 342.447 1.050 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)ccn1 ZINC000939535003 699676261 /nfs/dbraw/zinc/67/62/61/699676261.db2.gz OAINGRUERREHEW-CZUORRHYSA-N 2 2 343.431 1.003 20 0 EDADLP COc1ncccc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939621753 699758117 /nfs/dbraw/zinc/75/81/17/699758117.db2.gz CZAHGZCZSJFFNO-WBMJQRKESA-N 2 2 343.431 1.301 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnccc2C)C1 ZINC000939621986 699758641 /nfs/dbraw/zinc/75/86/41/699758641.db2.gz HFMUVFXVLLBWSD-CXAGYDPISA-N 2 2 327.432 1.601 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)sc1C ZINC000939624390 699762112 /nfs/dbraw/zinc/76/21/12/699762112.db2.gz XMNGZPBMPQDZRS-BONVTDFDSA-N 2 2 347.488 1.971 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000939624913 699762782 /nfs/dbraw/zinc/76/27/82/699762782.db2.gz ZQVYOYXJACWLFC-KDOFPFPSSA-N 2 2 326.444 1.940 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940441398 700642585 /nfs/dbraw/zinc/64/25/85/700642585.db2.gz GYAPGTKENYZQAQ-UHFFFAOYSA-N 2 2 334.449 1.283 20 0 EDADLP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)s1 ZINC000940441524 700642881 /nfs/dbraw/zinc/64/28/81/700642881.db2.gz LUNYJKNCQUMEGS-UHFFFAOYSA-N 2 2 348.476 1.591 20 0 EDADLP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000940445134 700647274 /nfs/dbraw/zinc/64/72/74/700647274.db2.gz NLWIDMRXVALLCT-UHFFFAOYSA-N 2 2 344.463 1.257 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000940736716 700877779 /nfs/dbraw/zinc/87/77/79/700877779.db2.gz ITWIVKWYPRLODK-JKSUJKDBSA-N 2 2 349.479 1.659 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000940736716 700877780 /nfs/dbraw/zinc/87/77/80/700877780.db2.gz ITWIVKWYPRLODK-JKSUJKDBSA-N 2 2 349.479 1.659 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000940736716 700877782 /nfs/dbraw/zinc/87/77/82/700877782.db2.gz ITWIVKWYPRLODK-JKSUJKDBSA-N 2 2 349.479 1.659 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000940736716 700877784 /nfs/dbraw/zinc/87/77/84/700877784.db2.gz ITWIVKWYPRLODK-JKSUJKDBSA-N 2 2 349.479 1.659 20 0 EDADLP CC1(C)C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940744792 700882867 /nfs/dbraw/zinc/88/28/67/700882867.db2.gz LHEUBMZCPJGGNG-IAGOWNOFSA-N 2 2 346.475 1.733 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940744792 700882869 /nfs/dbraw/zinc/88/28/69/700882869.db2.gz LHEUBMZCPJGGNG-IAGOWNOFSA-N 2 2 346.475 1.733 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)s1 ZINC000995106046 700930562 /nfs/dbraw/zinc/93/05/62/700930562.db2.gz JHOHGEIAEAFZHE-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001031917386 701028911 /nfs/dbraw/zinc/02/89/11/701028911.db2.gz YNPPVCUMBUYSIM-QGZVFWFLSA-N 2 2 348.466 1.891 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001031917386 701028912 /nfs/dbraw/zinc/02/89/12/701028912.db2.gz YNPPVCUMBUYSIM-QGZVFWFLSA-N 2 2 348.466 1.891 20 0 EDADLP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031919439 701048294 /nfs/dbraw/zinc/04/82/94/701048294.db2.gz ALCZZPDFKRMQMT-GOSISDBHSA-N 2 2 346.475 1.047 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941042190 701097692 /nfs/dbraw/zinc/09/76/92/701097692.db2.gz YMOUZGLCBNVKOI-FMKPAKJESA-N 2 2 334.464 1.123 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941042190 701097693 /nfs/dbraw/zinc/09/76/93/701097693.db2.gz YMOUZGLCBNVKOI-FMKPAKJESA-N 2 2 334.464 1.123 20 0 EDADLP CC1(C)CO[C@H](C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000941061055 701107935 /nfs/dbraw/zinc/10/79/35/701107935.db2.gz KPFNNOITSKZMNR-HOTGVXAUSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@H](C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000941061055 701107937 /nfs/dbraw/zinc/10/79/37/701107937.db2.gz KPFNNOITSKZMNR-HOTGVXAUSA-N 2 2 348.491 1.984 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)sc1C ZINC000945806541 701196793 /nfs/dbraw/zinc/19/67/93/701196793.db2.gz DXJYBHDTNOKFAX-WFASDCNBSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)sc1C ZINC000945806541 701196794 /nfs/dbraw/zinc/19/67/94/701196794.db2.gz DXJYBHDTNOKFAX-WFASDCNBSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945808071 701199133 /nfs/dbraw/zinc/19/91/33/701199133.db2.gz NLVDVEWMGJIBAV-HIFRSBDPSA-N 2 2 347.488 1.717 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945808071 701199134 /nfs/dbraw/zinc/19/91/34/701199134.db2.gz NLVDVEWMGJIBAV-HIFRSBDPSA-N 2 2 347.488 1.717 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)s1 ZINC000945808325 701199638 /nfs/dbraw/zinc/19/96/38/701199638.db2.gz ODMCVTUFRCCQJN-WFASDCNBSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)s1 ZINC000945808325 701199640 /nfs/dbraw/zinc/19/96/40/701199640.db2.gz ODMCVTUFRCCQJN-WFASDCNBSA-N 2 2 333.461 1.675 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001032201517 701837842 /nfs/dbraw/zinc/83/78/42/701837842.db2.gz GONBWOYKNFGCJX-QGZVFWFLSA-N 2 2 335.423 1.094 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001032201517 701837850 /nfs/dbraw/zinc/83/78/50/701837850.db2.gz GONBWOYKNFGCJX-QGZVFWFLSA-N 2 2 335.423 1.094 20 0 EDADLP O=[N+]([O-])c1cnn(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000183523598 701857018 /nfs/dbraw/zinc/85/70/18/701857018.db2.gz IKSDDQFHEKRFFX-UHFFFAOYSA-N 2 2 337.424 1.573 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995736296 701860151 /nfs/dbraw/zinc/86/01/51/701860151.db2.gz OVWHJMBZMGNSFO-AWEZNQCLSA-N 2 2 331.420 1.666 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031974578 701892651 /nfs/dbraw/zinc/89/26/51/701892651.db2.gz CFVJXQMGUOOSFP-OAHLLOKOSA-N 2 2 343.431 1.299 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)ncn1 ZINC000995748277 701962440 /nfs/dbraw/zinc/96/24/40/701962440.db2.gz RTGQPWFVLQEAEA-HNNXBMFYSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](C)C2)on1 ZINC000944447375 702040173 /nfs/dbraw/zinc/04/01/73/702040173.db2.gz YEBPBNUAKIGXPR-XHDPSFHLSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@@H](C)C2)on1 ZINC000944447375 702040179 /nfs/dbraw/zinc/04/01/79/702040179.db2.gz YEBPBNUAKIGXPR-XHDPSFHLSA-N 2 2 331.420 1.584 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001031978460 702092595 /nfs/dbraw/zinc/09/25/95/702092595.db2.gz UDHQDHPYWAPDGN-LRDDRELGSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001031978460 702092602 /nfs/dbraw/zinc/09/26/02/702092602.db2.gz UDHQDHPYWAPDGN-LRDDRELGSA-N 2 2 337.414 1.711 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1C[NH+](CCC(F)(F)F)C1)C2 ZINC001031978677 702103514 /nfs/dbraw/zinc/10/35/14/702103514.db2.gz VKSJQUFEFGPVML-ZDUSSCGKSA-N 2 2 344.381 1.754 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)[nH]1 ZINC000995887439 702226226 /nfs/dbraw/zinc/22/62/26/702226226.db2.gz PCPZJZXHNAJSMO-JSGCOSHPSA-N 2 2 348.495 1.485 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCn1cccn1 ZINC000995924778 702251087 /nfs/dbraw/zinc/25/10/87/702251087.db2.gz QDIQZHQKPZNOOL-IIAWOOMASA-N 2 2 342.447 1.237 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCn1cccn1 ZINC000995924778 702251091 /nfs/dbraw/zinc/25/10/91/702251091.db2.gz QDIQZHQKPZNOOL-IIAWOOMASA-N 2 2 342.447 1.237 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944098744 702267737 /nfs/dbraw/zinc/26/77/37/702267737.db2.gz NVSRTIPPXIJCQL-CXAGYDPISA-N 2 2 344.463 1.031 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944098744 702267738 /nfs/dbraw/zinc/26/77/38/702267738.db2.gz NVSRTIPPXIJCQL-CXAGYDPISA-N 2 2 344.463 1.031 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C)C(N)=O ZINC000995985768 702346442 /nfs/dbraw/zinc/34/64/42/702346442.db2.gz XHIHGVCZROXNGT-IUODEOHRSA-N 2 2 343.431 1.267 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)n1 ZINC000996044113 702437788 /nfs/dbraw/zinc/43/77/88/702437788.db2.gz RYEMAAGATIXTEF-INIZCTEOSA-N 2 2 344.463 1.435 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000996042805 702459987 /nfs/dbraw/zinc/45/99/87/702459987.db2.gz MVBHNXRMQVXRBC-ZDUSSCGKSA-N 2 2 334.449 1.070 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996512145 702831407 /nfs/dbraw/zinc/83/14/07/702831407.db2.gz BIPCYURGERBNNC-HNNXBMFYSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2cnoc2C)C(C)(C)C1 ZINC000996563952 702885058 /nfs/dbraw/zinc/88/50/58/702885058.db2.gz QZQYKKBSWKZRFP-OAHLLOKOSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cnoc2C)C(C)(C)C1 ZINC000996563951 702885149 /nfs/dbraw/zinc/88/51/49/702885149.db2.gz QZQYKKBSWKZRFP-HNNXBMFYSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)c(C)o1 ZINC000996612793 702917655 /nfs/dbraw/zinc/91/76/55/702917655.db2.gz RMTPUBXWSLBPGV-MRXNPFEDSA-N 2 2 345.447 1.823 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000996649285 702950630 /nfs/dbraw/zinc/95/06/30/702950630.db2.gz BMSHZGBQTKQDBV-KRWDZBQOSA-N 2 2 334.464 1.882 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000996649285 702950632 /nfs/dbraw/zinc/95/06/32/702950632.db2.gz BMSHZGBQTKQDBV-KRWDZBQOSA-N 2 2 334.464 1.882 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c(C)n1 ZINC000995248306 702967141 /nfs/dbraw/zinc/96/71/41/702967141.db2.gz KMWSHTZKIWQEHA-WMZOPIPTSA-N 2 2 341.459 1.970 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)C[C@H]1C ZINC000942517797 703011676 /nfs/dbraw/zinc/01/16/76/703011676.db2.gz GQWAWUFJTWTFES-HIFRSBDPSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ncccn2)C[C@H]1C ZINC000942517797 703011678 /nfs/dbraw/zinc/01/16/78/703011678.db2.gz GQWAWUFJTWTFES-HIFRSBDPSA-N 2 2 328.420 1.008 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)o1 ZINC000996716234 703014817 /nfs/dbraw/zinc/01/48/17/703014817.db2.gz QATJBRHDGKCDMU-HNNXBMFYSA-N 2 2 345.447 1.769 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996740115 703035326 /nfs/dbraw/zinc/03/53/26/703035326.db2.gz SEEDVWRITIWRIO-WBVHZDCISA-N 2 2 346.475 1.595 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2nccc(C)n2)CC1 ZINC000996796990 703089275 /nfs/dbraw/zinc/08/92/75/703089275.db2.gz DZXGTAINDAQXHG-UHFFFAOYSA-N 2 2 328.420 1.071 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000996835208 703122572 /nfs/dbraw/zinc/12/25/72/703122572.db2.gz QHWBMDCAMHTKKW-DNVCBOLYSA-N 2 2 346.475 1.360 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996843582 703130185 /nfs/dbraw/zinc/13/01/85/703130185.db2.gz FXQDCUNPGQJDTG-UONOGXRCSA-N 2 2 344.381 1.910 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000996857458 703141762 /nfs/dbraw/zinc/14/17/62/703141762.db2.gz BOIBGVJIMGERAJ-KRWDZBQOSA-N 2 2 334.464 1.813 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000996860463 703143893 /nfs/dbraw/zinc/14/38/93/703143893.db2.gz SASHSTSWAYKJEO-QAPCUYQASA-N 2 2 332.448 1.280 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)[nH]1 ZINC000996992753 703249222 /nfs/dbraw/zinc/24/92/22/703249222.db2.gz XNSSTLRXJJFCQX-ZDUSSCGKSA-N 2 2 343.435 1.037 20 0 EDADLP CCn1ccc(C[NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)n1 ZINC000997045236 703294015 /nfs/dbraw/zinc/29/40/15/703294015.db2.gz KADQAVDDSGFBAG-OAHLLOKOSA-N 2 2 344.463 1.831 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000997043781 703296344 /nfs/dbraw/zinc/29/63/44/703296344.db2.gz BARXAHGPLMZPME-HZPDHXFCSA-N 2 2 334.464 1.841 20 0 EDADLP C[C@@H]1C[N@H+](Cc2nccn2C)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821176 703329813 /nfs/dbraw/zinc/32/98/13/703329813.db2.gz CTINHPLATXIQIY-HZPDHXFCSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2nccn2C)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821176 703329815 /nfs/dbraw/zinc/32/98/15/703329815.db2.gz CTINHPLATXIQIY-HZPDHXFCSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H]1C[NH+](Cc2nccn2C)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821176 703329817 /nfs/dbraw/zinc/32/98/17/703329817.db2.gz CTINHPLATXIQIY-HZPDHXFCSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H]1C[NH+](Cc2nccn2C)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821176 703329821 /nfs/dbraw/zinc/32/98/21/703329821.db2.gz CTINHPLATXIQIY-HZPDHXFCSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997085636 703331090 /nfs/dbraw/zinc/33/10/90/703331090.db2.gz PTRPTAIHGTUDNN-AWEZNQCLSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997085636 703331092 /nfs/dbraw/zinc/33/10/92/703331092.db2.gz PTRPTAIHGTUDNN-AWEZNQCLSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1)C2 ZINC000997182780 703467970 /nfs/dbraw/zinc/46/79/70/703467970.db2.gz HHPKTSYNHIUSKL-CJNGLKHVSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1)CC2 ZINC000997182780 703467972 /nfs/dbraw/zinc/46/79/72/703467972.db2.gz HHPKTSYNHIUSKL-CJNGLKHVSA-N 2 2 348.491 1.422 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC2)n[nH]1 ZINC001032417142 703489624 /nfs/dbraw/zinc/48/96/24/703489624.db2.gz SGAXDQWESFHTKH-GRDNDAEWSA-N 2 2 329.448 1.485 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC2)n[nH]1 ZINC001032417142 703489625 /nfs/dbraw/zinc/48/96/25/703489625.db2.gz SGAXDQWESFHTKH-GRDNDAEWSA-N 2 2 329.448 1.485 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC2)n[nH]1 ZINC001032417142 703489626 /nfs/dbraw/zinc/48/96/26/703489626.db2.gz SGAXDQWESFHTKH-GRDNDAEWSA-N 2 2 329.448 1.485 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC2)n[nH]1 ZINC001032417142 703489627 /nfs/dbraw/zinc/48/96/27/703489627.db2.gz SGAXDQWESFHTKH-GRDNDAEWSA-N 2 2 329.448 1.485 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000997220654 703498719 /nfs/dbraw/zinc/49/87/19/703498719.db2.gz DZBLVOCLSCOWFU-LBPRGKRZSA-N 2 2 346.435 1.548 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997238622 703525485 /nfs/dbraw/zinc/52/54/85/703525485.db2.gz UMQCWEVSMFCPQV-UHFFFAOYSA-N 2 2 345.422 1.668 20 0 EDADLP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000921585137 703627824 /nfs/dbraw/zinc/62/78/24/703627824.db2.gz BKJCGKZOOYLMGK-GOEBONIOSA-N 2 2 336.432 1.173 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000997412475 703668246 /nfs/dbraw/zinc/66/82/46/703668246.db2.gz AEGIYEBIVAUWEE-QGZVFWFLSA-N 2 2 334.464 1.405 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1cccc(F)c1)[NH+](C)C ZINC001032474303 703694078 /nfs/dbraw/zinc/69/40/78/703694078.db2.gz UJDKZTBNLODQOY-XYJFISCASA-N 2 2 349.450 1.830 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1cccc(F)c1)[NH+](C)C ZINC001032474303 703694079 /nfs/dbraw/zinc/69/40/79/703694079.db2.gz UJDKZTBNLODQOY-XYJFISCASA-N 2 2 349.450 1.830 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032482677 703728353 /nfs/dbraw/zinc/72/83/53/703728353.db2.gz IYEIFPWZRYTOJO-NJAFHUGGSA-N 2 2 344.459 1.157 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032482677 703728355 /nfs/dbraw/zinc/72/83/55/703728355.db2.gz IYEIFPWZRYTOJO-NJAFHUGGSA-N 2 2 344.459 1.157 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995549238 703932417 /nfs/dbraw/zinc/93/24/17/703932417.db2.gz BQFXBGSZZBLESY-KBPBESRZSA-N 2 2 349.479 1.443 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995549238 703932418 /nfs/dbraw/zinc/93/24/18/703932418.db2.gz BQFXBGSZZBLESY-KBPBESRZSA-N 2 2 349.479 1.443 20 0 EDADLP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997644576 703956441 /nfs/dbraw/zinc/95/64/41/703956441.db2.gz RRJNZPZCENGWIV-OLZOCXBDSA-N 2 2 330.432 1.774 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3nccs3)C2)CC[N@@H+]1C ZINC001033097048 704187876 /nfs/dbraw/zinc/18/78/76/704187876.db2.gz UKQVMHXLEPSAFY-QLFBSQMISA-N 2 2 336.505 1.906 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3nccs3)C2)CC[N@H+]1C ZINC001033097048 704187877 /nfs/dbraw/zinc/18/78/77/704187877.db2.gz UKQVMHXLEPSAFY-QLFBSQMISA-N 2 2 336.505 1.906 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001033097048 704187878 /nfs/dbraw/zinc/18/78/78/704187878.db2.gz UKQVMHXLEPSAFY-QLFBSQMISA-N 2 2 336.505 1.906 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001033097048 704187879 /nfs/dbraw/zinc/18/78/79/704187879.db2.gz UKQVMHXLEPSAFY-QLFBSQMISA-N 2 2 336.505 1.906 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)O1 ZINC000997732103 704623203 /nfs/dbraw/zinc/62/32/03/704623203.db2.gz BNFUJCXDMLCMMB-ZBFHGGJFSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963893 704830446 /nfs/dbraw/zinc/83/04/46/704830446.db2.gz DZSLLXYALHVZQX-SWLSCSKDSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963893 704830453 /nfs/dbraw/zinc/83/04/53/704830453.db2.gz DZSLLXYALHVZQX-SWLSCSKDSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944965068 704834620 /nfs/dbraw/zinc/83/46/20/704834620.db2.gz POZNIQGXEYQWDR-BLLLJJGKSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944965068 704834627 /nfs/dbraw/zinc/83/46/27/704834627.db2.gz POZNIQGXEYQWDR-BLLLJJGKSA-N 2 2 331.420 1.515 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2cnn(C)n2)CC1 ZINC000997951669 705070135 /nfs/dbraw/zinc/07/01/35/705070135.db2.gz YTINSDZNNNUOBI-SJORKVTESA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2cnn(C)n2)CC1 ZINC000997951669 705070140 /nfs/dbraw/zinc/07/01/40/705070140.db2.gz YTINSDZNNNUOBI-SJORKVTESA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2cnn(C)n2)CC1 ZINC000997951669 705070146 /nfs/dbraw/zinc/07/01/46/705070146.db2.gz YTINSDZNNNUOBI-SJORKVTESA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998043122 705238449 /nfs/dbraw/zinc/23/84/49/705238449.db2.gz XAACPMQHPJKKGH-ARFHVFGLSA-N 2 2 334.464 1.599 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998043122 705238455 /nfs/dbraw/zinc/23/84/55/705238455.db2.gz XAACPMQHPJKKGH-ARFHVFGLSA-N 2 2 334.464 1.599 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998043122 705238460 /nfs/dbraw/zinc/23/84/60/705238460.db2.gz XAACPMQHPJKKGH-ARFHVFGLSA-N 2 2 334.464 1.599 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998043122 705238464 /nfs/dbraw/zinc/23/84/64/705238464.db2.gz XAACPMQHPJKKGH-ARFHVFGLSA-N 2 2 334.464 1.599 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998052145 705255175 /nfs/dbraw/zinc/25/51/75/705255175.db2.gz OFJNZTLTWQKKMJ-IRXDYDNUSA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998052145 705255177 /nfs/dbraw/zinc/25/51/77/705255177.db2.gz OFJNZTLTWQKKMJ-IRXDYDNUSA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998115367 705360361 /nfs/dbraw/zinc/36/03/61/705360361.db2.gz IIBPVWLNYNDWLW-GJZGRUSLSA-N 2 2 334.464 1.525 20 0 EDADLP CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998115367 705360363 /nfs/dbraw/zinc/36/03/63/705360363.db2.gz IIBPVWLNYNDWLW-GJZGRUSLSA-N 2 2 334.464 1.525 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998139168 705405659 /nfs/dbraw/zinc/40/56/59/705405659.db2.gz OQKGBYPSHFNBCM-RDJZCZTQSA-N 2 2 348.491 1.843 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998139168 705405662 /nfs/dbraw/zinc/40/56/62/705405662.db2.gz OQKGBYPSHFNBCM-RDJZCZTQSA-N 2 2 348.491 1.843 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000998254478 705611257 /nfs/dbraw/zinc/61/12/57/705611257.db2.gz NZESJCXFNJMKAE-QGZVFWFLSA-N 2 2 348.491 1.608 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccnc2)C1 ZINC001032625969 705728540 /nfs/dbraw/zinc/72/85/40/705728540.db2.gz RPDSGPVDLJKWLB-IRXDYDNUSA-N 2 2 328.460 1.599 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccnc2)C1 ZINC001032625969 705728542 /nfs/dbraw/zinc/72/85/42/705728542.db2.gz RPDSGPVDLJKWLB-IRXDYDNUSA-N 2 2 328.460 1.599 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2)C1 ZINC001032625969 705728544 /nfs/dbraw/zinc/72/85/44/705728544.db2.gz RPDSGPVDLJKWLB-IRXDYDNUSA-N 2 2 328.460 1.599 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2)C1 ZINC001032625969 705728547 /nfs/dbraw/zinc/72/85/47/705728547.db2.gz RPDSGPVDLJKWLB-IRXDYDNUSA-N 2 2 328.460 1.599 20 0 EDADLP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001032627248 705735451 /nfs/dbraw/zinc/73/54/51/705735451.db2.gz TUVZFRBSNXIEMC-SZMVWBNQSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001032627248 705735454 /nfs/dbraw/zinc/73/54/54/705735454.db2.gz TUVZFRBSNXIEMC-SZMVWBNQSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032627248 705735456 /nfs/dbraw/zinc/73/54/56/705735456.db2.gz TUVZFRBSNXIEMC-SZMVWBNQSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032627248 705735458 /nfs/dbraw/zinc/73/54/58/705735458.db2.gz TUVZFRBSNXIEMC-SZMVWBNQSA-N 2 2 328.460 1.659 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2nonc2c1)[NH+](C)C ZINC001032634634 705904938 /nfs/dbraw/zinc/90/49/38/705904938.db2.gz OHQCUTVZCRMZGL-ZQIUZPCESA-N 2 2 343.431 1.348 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2nonc2c1)[NH+](C)C ZINC001032634634 705904939 /nfs/dbraw/zinc/90/49/39/705904939.db2.gz OHQCUTVZCRMZGL-ZQIUZPCESA-N 2 2 343.431 1.348 20 0 EDADLP CCCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)no1 ZINC000998559142 705995681 /nfs/dbraw/zinc/99/56/81/705995681.db2.gz ZSEOMZDYACJQFX-YMAMQOFZSA-N 2 2 349.479 1.585 20 0 EDADLP CCCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)no1 ZINC000998559142 705995683 /nfs/dbraw/zinc/99/56/83/705995683.db2.gz ZSEOMZDYACJQFX-YMAMQOFZSA-N 2 2 349.479 1.585 20 0 EDADLP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000998994876 706412289 /nfs/dbraw/zinc/41/22/89/706412289.db2.gz LSULFFSKENBWCL-YMAMQOFZSA-N 2 2 349.479 1.756 20 0 EDADLP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000998994876 706412291 /nfs/dbraw/zinc/41/22/91/706412291.db2.gz LSULFFSKENBWCL-YMAMQOFZSA-N 2 2 349.479 1.756 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]Cc3ccnn3C)C2)c[nH+]1 ZINC000998986686 706418520 /nfs/dbraw/zinc/41/85/20/706418520.db2.gz HQUDXSZJUYDPKI-UHFFFAOYSA-N 2 2 344.463 1.439 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)c3cc(C[NH+](C)C)on3)C2)no1 ZINC000999026173 706463330 /nfs/dbraw/zinc/46/33/30/706463330.db2.gz FKCGFFZWEPGEGF-UHFFFAOYSA-N 2 2 347.419 1.425 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000999373788 706868423 /nfs/dbraw/zinc/86/84/23/706868423.db2.gz RGPBJSBZFDZWQR-DZGCQCFKSA-N 2 2 345.472 1.998 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999365620 706879223 /nfs/dbraw/zinc/87/92/23/706879223.db2.gz QGQJQOBUTHBGDJ-JSGCOSHPSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999365620 706879225 /nfs/dbraw/zinc/87/92/25/706879225.db2.gz QGQJQOBUTHBGDJ-JSGCOSHPSA-N 2 2 335.452 1.504 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999384377 706897653 /nfs/dbraw/zinc/89/76/53/706897653.db2.gz IFEOKXQDKVATHH-NRXISQOPSA-N 2 2 342.447 1.342 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000999401708 706909741 /nfs/dbraw/zinc/90/97/41/706909741.db2.gz QCCMCIGATGHSQS-CABCVRRESA-N 2 2 335.452 1.333 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000999401708 706909745 /nfs/dbraw/zinc/90/97/45/706909745.db2.gz QCCMCIGATGHSQS-CABCVRRESA-N 2 2 335.452 1.333 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]C[C@H]3CCOC3)C2)c[nH+]1 ZINC000999468239 706976890 /nfs/dbraw/zinc/97/68/90/706976890.db2.gz XZGSGXPYCPWDSC-HZPDHXFCSA-N 2 2 334.464 1.544 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000999472458 706981150 /nfs/dbraw/zinc/98/11/50/706981150.db2.gz HABKZDOWRGUZOJ-OPFPJEHXSA-N 2 2 328.420 1.391 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999515156 707014451 /nfs/dbraw/zinc/01/44/51/707014451.db2.gz YDLPRVWEGCCFFH-KBPBESRZSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999515156 707014454 /nfs/dbraw/zinc/01/44/54/707014454.db2.gz YDLPRVWEGCCFFH-KBPBESRZSA-N 2 2 335.452 1.197 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000999551015 707050129 /nfs/dbraw/zinc/05/01/29/707050129.db2.gz XQSIOOPZCJSTPY-ZIAGYGMSSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)n1 ZINC000999576864 707084129 /nfs/dbraw/zinc/08/41/29/707084129.db2.gz ZOVXJIPFHFIXNR-JKSUJKDBSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)n1 ZINC000999576864 707084131 /nfs/dbraw/zinc/08/41/31/707084131.db2.gz ZOVXJIPFHFIXNR-JKSUJKDBSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999623170 707145139 /nfs/dbraw/zinc/14/51/39/707145139.db2.gz WCIJFIIBJDCCES-CQSZACIVSA-N 2 2 340.387 1.420 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000999690479 707247435 /nfs/dbraw/zinc/24/74/35/707247435.db2.gz YYZAONFNLQUDIQ-IYXRBSQSSA-N 2 2 331.420 1.599 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC000999715852 707253684 /nfs/dbraw/zinc/25/36/84/707253684.db2.gz XMDBBXKJKFFAKZ-CQSZACIVSA-N 2 2 345.451 1.214 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999730357 707274315 /nfs/dbraw/zinc/27/43/15/707274315.db2.gz YMISGBRXVOTPLD-HNNXBMFYSA-N 2 2 343.431 1.531 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)sn1 ZINC001033265730 707290391 /nfs/dbraw/zinc/29/03/91/707290391.db2.gz JIAFROPAWCBVKF-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)sn1 ZINC001033265730 707290393 /nfs/dbraw/zinc/29/03/93/707290393.db2.gz JIAFROPAWCBVKF-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033267137 707295986 /nfs/dbraw/zinc/29/59/86/707295986.db2.gz UMUKWKXZLFBVCE-KBPBESRZSA-N 2 2 342.390 1.148 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033267137 707295990 /nfs/dbraw/zinc/29/59/90/707295990.db2.gz UMUKWKXZLFBVCE-KBPBESRZSA-N 2 2 342.390 1.148 20 0 EDADLP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC000999748354 707349084 /nfs/dbraw/zinc/34/90/84/707349084.db2.gz XCPWUGLOBLWRHJ-UHFFFAOYSA-N 2 2 344.463 1.299 20 0 EDADLP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004830832 707392874 /nfs/dbraw/zinc/39/28/74/707392874.db2.gz HECRZJRMZKBJQK-GOEBONIOSA-N 2 2 344.463 1.635 20 0 EDADLP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999789281 707406599 /nfs/dbraw/zinc/40/65/99/707406599.db2.gz GKMDDTQHPBKODE-HOCLYGCPSA-N 2 2 349.504 1.493 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC000999971573 707581979 /nfs/dbraw/zinc/58/19/79/707581979.db2.gz CAWBYYOIKPSYJG-HOTGVXAUSA-N 2 2 349.479 1.581 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC000999971573 707581984 /nfs/dbraw/zinc/58/19/84/707581984.db2.gz CAWBYYOIKPSYJG-HOTGVXAUSA-N 2 2 349.479 1.581 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033365946 707661075 /nfs/dbraw/zinc/66/10/75/707661075.db2.gz RQOLYAPBPKOQDF-RTBURBONSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033365946 707661077 /nfs/dbraw/zinc/66/10/77/707661077.db2.gz RQOLYAPBPKOQDF-RTBURBONSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033365946 707661079 /nfs/dbraw/zinc/66/10/79/707661079.db2.gz RQOLYAPBPKOQDF-RTBURBONSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033365946 707661082 /nfs/dbraw/zinc/66/10/82/707661082.db2.gz RQOLYAPBPKOQDF-RTBURBONSA-N 2 2 349.519 1.963 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032731075 707731528 /nfs/dbraw/zinc/73/15/28/707731528.db2.gz YUTJLMUHZPMUNG-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032731075 707731532 /nfs/dbraw/zinc/73/15/32/707731532.db2.gz YUTJLMUHZPMUNG-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032731075 707731537 /nfs/dbraw/zinc/73/15/37/707731537.db2.gz YUTJLMUHZPMUNG-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032731075 707731540 /nfs/dbraw/zinc/73/15/40/707731540.db2.gz YUTJLMUHZPMUNG-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730518 707738551 /nfs/dbraw/zinc/73/85/51/707738551.db2.gz HWPZFLUEPIZYJP-KBMXLJTQSA-N 2 2 332.448 1.364 20 0 EDADLP CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730518 707738555 /nfs/dbraw/zinc/73/85/55/707738555.db2.gz HWPZFLUEPIZYJP-KBMXLJTQSA-N 2 2 332.448 1.364 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032730518 707738559 /nfs/dbraw/zinc/73/85/59/707738559.db2.gz HWPZFLUEPIZYJP-KBMXLJTQSA-N 2 2 332.448 1.364 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032730518 707738562 /nfs/dbraw/zinc/73/85/62/707738562.db2.gz HWPZFLUEPIZYJP-KBMXLJTQSA-N 2 2 332.448 1.364 20 0 EDADLP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033398555 707740668 /nfs/dbraw/zinc/74/06/68/707740668.db2.gz XUEXMUQDDALYHP-GOSISDBHSA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033398555 707740671 /nfs/dbraw/zinc/74/06/71/707740671.db2.gz XUEXMUQDDALYHP-GOSISDBHSA-N 2 2 345.491 1.204 20 0 EDADLP COc1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001004959408 707771186 /nfs/dbraw/zinc/77/11/86/707771186.db2.gz YSOILHPCJOXUEG-IUODEOHRSA-N 2 2 347.419 1.508 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cnon1 ZINC001004991254 707855801 /nfs/dbraw/zinc/85/58/01/707855801.db2.gz KLKAOSWZUAORJO-SWLSCSKDSA-N 2 2 332.408 1.134 20 0 EDADLP CCc1noc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004994511 707880335 /nfs/dbraw/zinc/88/03/35/707880335.db2.gz VFULJTJKKHCGQR-CABCVRRESA-N 2 2 349.479 1.587 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001000326091 707988833 /nfs/dbraw/zinc/98/88/33/707988833.db2.gz WNRFOPPZZXPATO-QGZVFWFLSA-N 2 2 340.427 1.763 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC001000542441 708042800 /nfs/dbraw/zinc/04/28/00/708042800.db2.gz LYSGSIFOWIYHFN-ZDUSSCGKSA-N 2 2 333.461 1.806 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1C ZINC001005178165 708119858 /nfs/dbraw/zinc/11/98/58/708119858.db2.gz GLMLCUBOHRPDJT-KRWDZBQOSA-N 2 2 333.480 1.246 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1C ZINC001005178165 708119860 /nfs/dbraw/zinc/11/98/60/708119860.db2.gz GLMLCUBOHRPDJT-KRWDZBQOSA-N 2 2 333.480 1.246 20 0 EDADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033581580 708263731 /nfs/dbraw/zinc/26/37/31/708263731.db2.gz ZNTAYPWOIHABKC-HNNXBMFYSA-N 2 2 331.395 1.773 20 0 EDADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033581580 708263734 /nfs/dbraw/zinc/26/37/34/708263734.db2.gz ZNTAYPWOIHABKC-HNNXBMFYSA-N 2 2 331.395 1.773 20 0 EDADLP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1)C1CCC1 ZINC001033596264 708301184 /nfs/dbraw/zinc/30/11/84/708301184.db2.gz XLODNRVEUKGTBN-NVXWUHKLSA-N 2 2 334.464 1.310 20 0 EDADLP CO[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1)C1CCC1 ZINC001033596264 708301187 /nfs/dbraw/zinc/30/11/87/708301187.db2.gz XLODNRVEUKGTBN-NVXWUHKLSA-N 2 2 334.464 1.310 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)nc1 ZINC001001795799 708310590 /nfs/dbraw/zinc/31/05/90/708310590.db2.gz YICUAFSMOKTCSO-UHFFFAOYSA-N 2 2 345.491 1.455 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661606 708474905 /nfs/dbraw/zinc/47/49/05/708474905.db2.gz LUQKOEFALATRDF-CABCVRRESA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661606 708474908 /nfs/dbraw/zinc/47/49/08/708474908.db2.gz LUQKOEFALATRDF-CABCVRRESA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661606 708474910 /nfs/dbraw/zinc/47/49/10/708474910.db2.gz LUQKOEFALATRDF-CABCVRRESA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661606 708474913 /nfs/dbraw/zinc/47/49/13/708474913.db2.gz LUQKOEFALATRDF-CABCVRRESA-N 2 2 346.475 1.538 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033684413 708497260 /nfs/dbraw/zinc/49/72/60/708497260.db2.gz FDHSOUZJORFYJN-WMZOPIPTSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033684413 708497261 /nfs/dbraw/zinc/49/72/61/708497261.db2.gz FDHSOUZJORFYJN-WMZOPIPTSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033684413 708497262 /nfs/dbraw/zinc/49/72/62/708497262.db2.gz FDHSOUZJORFYJN-WMZOPIPTSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033684413 708497263 /nfs/dbraw/zinc/49/72/63/708497263.db2.gz FDHSOUZJORFYJN-WMZOPIPTSA-N 2 2 345.491 1.692 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC001002044100 708534893 /nfs/dbraw/zinc/53/48/93/708534893.db2.gz ZHVTUPHDEGOQFM-CYBMUJFWSA-N 2 2 346.479 1.098 20 0 EDADLP CCc1nc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001061705490 708969645 /nfs/dbraw/zinc/96/96/45/708969645.db2.gz DHFHUPAIQZVRSL-CVEARBPZSA-N 2 2 345.491 1.774 20 0 EDADLP CCc1nc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001061705490 708969647 /nfs/dbraw/zinc/96/96/47/708969647.db2.gz DHFHUPAIQZVRSL-CVEARBPZSA-N 2 2 345.491 1.774 20 0 EDADLP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+](CCF)C1 ZINC001033895903 709013047 /nfs/dbraw/zinc/01/30/47/709013047.db2.gz CNFYCINRTMZQHX-OAHLLOKOSA-N 2 2 331.395 1.773 20 0 EDADLP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033895903 709013049 /nfs/dbraw/zinc/01/30/49/709013049.db2.gz CNFYCINRTMZQHX-OAHLLOKOSA-N 2 2 331.395 1.773 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001034040958 709262782 /nfs/dbraw/zinc/26/27/82/709262782.db2.gz ADGDGWQOZBBNAD-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001034040958 709262785 /nfs/dbraw/zinc/26/27/85/709262785.db2.gz ADGDGWQOZBBNAD-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2nc(C)cs2)C1 ZINC001034040958 709262787 /nfs/dbraw/zinc/26/27/87/709262787.db2.gz ADGDGWQOZBBNAD-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2nc(C)cs2)C1 ZINC001034040958 709262790 /nfs/dbraw/zinc/26/27/90/709262790.db2.gz ADGDGWQOZBBNAD-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001034039172 709271820 /nfs/dbraw/zinc/27/18/20/709271820.db2.gz GEURGUXBMPWFQI-LSDHHAIUSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001034039172 709271822 /nfs/dbraw/zinc/27/18/22/709271822.db2.gz GEURGUXBMPWFQI-LSDHHAIUSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ncc(C)s2)C1 ZINC001034039172 709271823 /nfs/dbraw/zinc/27/18/23/709271823.db2.gz GEURGUXBMPWFQI-LSDHHAIUSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ncc(C)s2)C1 ZINC001034039172 709271825 /nfs/dbraw/zinc/27/18/25/709271825.db2.gz GEURGUXBMPWFQI-LSDHHAIUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC001002790837 709398536 /nfs/dbraw/zinc/39/85/36/709398536.db2.gz ARQXQOMSHWWYCO-MRXNPFEDSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC001002790837 709398538 /nfs/dbraw/zinc/39/85/38/709398538.db2.gz ARQXQOMSHWWYCO-MRXNPFEDSA-N 2 2 334.464 1.936 20 0 EDADLP COc1cccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034135935 709406830 /nfs/dbraw/zinc/40/68/30/709406830.db2.gz GGSUQGBTPVXRDW-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cccc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034135935 709406831 /nfs/dbraw/zinc/40/68/31/709406831.db2.gz GGSUQGBTPVXRDW-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001034135935 709406832 /nfs/dbraw/zinc/40/68/32/709406832.db2.gz GGSUQGBTPVXRDW-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001034135935 709406833 /nfs/dbraw/zinc/40/68/33/709406833.db2.gz GGSUQGBTPVXRDW-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cncc(F)c2)C1 ZINC001034137127 709408763 /nfs/dbraw/zinc/40/87/63/709408763.db2.gz NJRCUSVSIRKRRQ-IAGOWNOFSA-N 2 2 334.439 1.786 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cncc(F)c2)C1 ZINC001034137127 709408766 /nfs/dbraw/zinc/40/87/66/709408766.db2.gz NJRCUSVSIRKRRQ-IAGOWNOFSA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cncc(F)c2)C1 ZINC001034137127 709408767 /nfs/dbraw/zinc/40/87/67/709408767.db2.gz NJRCUSVSIRKRRQ-IAGOWNOFSA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001034137127 709408770 /nfs/dbraw/zinc/40/87/70/709408770.db2.gz NJRCUSVSIRKRRQ-IAGOWNOFSA-N 2 2 334.439 1.786 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001002828951 709446170 /nfs/dbraw/zinc/44/61/70/709446170.db2.gz MYAZZXRJISHWEH-WBMJQRKESA-N 2 2 347.463 1.361 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001061218506 709777724 /nfs/dbraw/zinc/77/77/24/709777724.db2.gz FHPUOYLVPZGVLO-CVEARBPZSA-N 2 2 331.464 1.554 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001061218506 709777727 /nfs/dbraw/zinc/77/77/27/709777727.db2.gz FHPUOYLVPZGVLO-CVEARBPZSA-N 2 2 331.464 1.554 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001061218510 709777918 /nfs/dbraw/zinc/77/79/18/709777918.db2.gz FHPUOYLVPZGVLO-HZPDHXFCSA-N 2 2 331.464 1.554 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001061218510 709777919 /nfs/dbraw/zinc/77/79/19/709777919.db2.gz FHPUOYLVPZGVLO-HZPDHXFCSA-N 2 2 331.464 1.554 20 0 EDADLP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3CCCc4[nH+]ccn43)CC2)o1 ZINC001003015220 709800633 /nfs/dbraw/zinc/80/06/33/709800633.db2.gz BVWWYKXIWKODEB-MRXNPFEDSA-N 2 2 343.431 1.838 20 0 EDADLP Cn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034387463 709916807 /nfs/dbraw/zinc/91/68/07/709916807.db2.gz ZWYDKMGHGCCMIX-MRXNPFEDSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034387463 709916808 /nfs/dbraw/zinc/91/68/08/709916808.db2.gz ZWYDKMGHGCCMIX-MRXNPFEDSA-N 2 2 333.480 1.233 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001003180705 710096981 /nfs/dbraw/zinc/09/69/81/710096981.db2.gz UNEPQBSEHPOLSM-OAHLLOKOSA-N 2 2 339.443 1.621 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](CCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001034469753 710100668 /nfs/dbraw/zinc/10/06/68/710100668.db2.gz XKEOHOFJVQTRPF-QGZVFWFLSA-N 2 2 342.443 1.839 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](CCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001034469753 710100672 /nfs/dbraw/zinc/10/06/72/710100672.db2.gz XKEOHOFJVQTRPF-QGZVFWFLSA-N 2 2 342.443 1.839 20 0 EDADLP COc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001034529134 710183563 /nfs/dbraw/zinc/18/35/63/710183563.db2.gz YAFZPTYZRSWEIY-HNNXBMFYSA-N 2 2 347.463 1.052 20 0 EDADLP COc1ccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC001034529134 710183565 /nfs/dbraw/zinc/18/35/65/710183565.db2.gz YAFZPTYZRSWEIY-HNNXBMFYSA-N 2 2 347.463 1.052 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)c3occc3C[NH+](C)C)CC2)n1 ZINC001003518574 710395757 /nfs/dbraw/zinc/39/57/57/710395757.db2.gz SBHIVAHRSJXRBB-UHFFFAOYSA-N 2 2 345.447 1.469 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003632628 710461137 /nfs/dbraw/zinc/46/11/37/710461137.db2.gz BIAPVNJIEDUAID-CJNGLKHVSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003632628 710461139 /nfs/dbraw/zinc/46/11/39/710461139.db2.gz BIAPVNJIEDUAID-CJNGLKHVSA-N 2 2 331.464 1.063 20 0 EDADLP CC[C@H](C[NH+]1CCC(N(C)C(=O)Cc2c[nH+]ccc2OC)CC1)OC ZINC001005584895 710629743 /nfs/dbraw/zinc/62/97/43/710629743.db2.gz OJUAXELDDDFSMZ-QGZVFWFLSA-N 2 2 349.475 1.981 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005627329 710751393 /nfs/dbraw/zinc/75/13/93/710751393.db2.gz YKJYFZACAVOLTM-DZGCQCFKSA-N 2 2 348.491 1.781 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001005627329 710751397 /nfs/dbraw/zinc/75/13/97/710751397.db2.gz YKJYFZACAVOLTM-DZGCQCFKSA-N 2 2 348.491 1.781 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001034701284 710805317 /nfs/dbraw/zinc/80/53/17/710805317.db2.gz VVSWGIANONXFIC-ULQDDVLXSA-N 2 2 341.471 1.474 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001034701284 710805319 /nfs/dbraw/zinc/80/53/19/710805319.db2.gz VVSWGIANONXFIC-ULQDDVLXSA-N 2 2 341.471 1.474 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976061 711064558 /nfs/dbraw/zinc/06/45/58/711064558.db2.gz MBTDJSJGZKGXBY-WMZOPIPTSA-N 2 2 347.459 1.059 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976061 711064562 /nfs/dbraw/zinc/06/45/62/711064562.db2.gz MBTDJSJGZKGXBY-WMZOPIPTSA-N 2 2 347.459 1.059 20 0 EDADLP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001032976061 711064564 /nfs/dbraw/zinc/06/45/64/711064564.db2.gz MBTDJSJGZKGXBY-WMZOPIPTSA-N 2 2 347.459 1.059 20 0 EDADLP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001032976061 711064568 /nfs/dbraw/zinc/06/45/68/711064568.db2.gz MBTDJSJGZKGXBY-WMZOPIPTSA-N 2 2 347.459 1.059 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)O1 ZINC001034778383 711079688 /nfs/dbraw/zinc/07/96/88/711079688.db2.gz SAUGQPKDFDNFAE-JKQORVJESA-N 2 2 334.464 1.547 20 0 EDADLP CCc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032979791 711102691 /nfs/dbraw/zinc/10/26/91/711102691.db2.gz JVZAWDNNUVDPBK-RBUKOAKNSA-N 2 2 345.487 1.612 20 0 EDADLP CCc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032979791 711102696 /nfs/dbraw/zinc/10/26/96/711102696.db2.gz JVZAWDNNUVDPBK-RBUKOAKNSA-N 2 2 345.487 1.612 20 0 EDADLP CCc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001032979791 711102701 /nfs/dbraw/zinc/10/27/01/711102701.db2.gz JVZAWDNNUVDPBK-RBUKOAKNSA-N 2 2 345.487 1.612 20 0 EDADLP CCc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001032979791 711102704 /nfs/dbraw/zinc/10/27/04/711102704.db2.gz JVZAWDNNUVDPBK-RBUKOAKNSA-N 2 2 345.487 1.612 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1F ZINC001032980235 711104567 /nfs/dbraw/zinc/10/45/67/711104567.db2.gz LSPUGAKECCXTNW-FUHWJXTLSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1F ZINC001032980235 711104568 /nfs/dbraw/zinc/10/45/68/711104568.db2.gz LSPUGAKECCXTNW-FUHWJXTLSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1F ZINC001032980235 711104570 /nfs/dbraw/zinc/10/45/70/711104570.db2.gz LSPUGAKECCXTNW-FUHWJXTLSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1F ZINC001032980235 711104571 /nfs/dbraw/zinc/10/45/71/711104571.db2.gz LSPUGAKECCXTNW-FUHWJXTLSA-N 2 2 349.450 1.497 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005713659 711106410 /nfs/dbraw/zinc/10/64/10/711106410.db2.gz RWLGQAIAXAMJKP-OAHLLOKOSA-N 2 2 342.443 1.907 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001003970437 711119689 /nfs/dbraw/zinc/11/96/89/711119689.db2.gz GBBGZLZTNRFWGF-TZMCWYRMSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003970437 711119690 /nfs/dbraw/zinc/11/96/90/711119690.db2.gz GBBGZLZTNRFWGF-TZMCWYRMSA-N 2 2 335.452 1.361 20 0 EDADLP COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001034800194 711139688 /nfs/dbraw/zinc/13/96/88/711139688.db2.gz ZRMLPIHKDBNQDD-SHTZXODSSA-N 2 2 343.431 1.504 20 0 EDADLP CC(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001034883291 711285147 /nfs/dbraw/zinc/28/51/47/711285147.db2.gz PTAZKYQBMDPAPZ-KGLIPLIRSA-N 2 2 335.452 1.368 20 0 EDADLP CC(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001034883291 711285152 /nfs/dbraw/zinc/28/51/52/711285152.db2.gz PTAZKYQBMDPAPZ-KGLIPLIRSA-N 2 2 335.452 1.368 20 0 EDADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001034890765 711346381 /nfs/dbraw/zinc/34/63/81/711346381.db2.gz HVGUYOUKKZOWHF-IEBWSBKVSA-N 2 2 345.487 1.715 20 0 EDADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001034890765 711346384 /nfs/dbraw/zinc/34/63/84/711346384.db2.gz HVGUYOUKKZOWHF-IEBWSBKVSA-N 2 2 345.487 1.715 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001034972356 711452260 /nfs/dbraw/zinc/45/22/60/711452260.db2.gz FVXDMUFZLIXRFM-KGLIPLIRSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001034972356 711452262 /nfs/dbraw/zinc/45/22/62/711452262.db2.gz FVXDMUFZLIXRFM-KGLIPLIRSA-N 2 2 335.452 1.197 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3c(F)cccc3F)CC2)C1 ZINC001004145088 711553722 /nfs/dbraw/zinc/55/37/22/711553722.db2.gz SJPYJUFDERFFEF-ZDUSSCGKSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3c(F)cccc3F)CC2)C1 ZINC001004145088 711553723 /nfs/dbraw/zinc/55/37/23/711553723.db2.gz SJPYJUFDERFFEF-ZDUSSCGKSA-N 2 2 337.414 1.997 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577475 712004439 /nfs/dbraw/zinc/00/44/39/712004439.db2.gz GDUQPKQXMLGQQC-YJBOKZPZSA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004577475 712004441 /nfs/dbraw/zinc/00/44/41/712004441.db2.gz GDUQPKQXMLGQQC-YJBOKZPZSA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577475 712004442 /nfs/dbraw/zinc/00/44/42/712004442.db2.gz GDUQPKQXMLGQQC-YJBOKZPZSA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004577475 712004444 /nfs/dbraw/zinc/00/44/44/712004444.db2.gz GDUQPKQXMLGQQC-YJBOKZPZSA-N 2 2 348.491 1.938 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@H]2CCC[N@H+]2C[C@@H](C)O)CC1 ZINC001004610128 712063543 /nfs/dbraw/zinc/06/35/43/712063543.db2.gz NUHGUENTBBMGNW-CXAGYDPISA-N 2 2 334.464 1.344 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@H]2CCC[N@@H+]2C[C@@H](C)O)CC1 ZINC001004610128 712063545 /nfs/dbraw/zinc/06/35/45/712063545.db2.gz NUHGUENTBBMGNW-CXAGYDPISA-N 2 2 334.464 1.344 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000558516495 306238965 /nfs/dbraw/zinc/23/89/65/306238965.db2.gz BJASFMHIMDUFDI-KRWDZBQOSA-N 2 2 346.475 1.518 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000558516495 306238966 /nfs/dbraw/zinc/23/89/66/306238966.db2.gz BJASFMHIMDUFDI-KRWDZBQOSA-N 2 2 346.475 1.518 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174300615 529749056 /nfs/dbraw/zinc/74/90/56/529749056.db2.gz UNFIJIRKFOZKHM-LSDHHAIUSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174300615 529749057 /nfs/dbraw/zinc/74/90/57/529749057.db2.gz UNFIJIRKFOZKHM-LSDHHAIUSA-N 2 2 344.459 1.512 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)CCCCC1 ZINC000559365581 306254363 /nfs/dbraw/zinc/25/43/63/306254363.db2.gz WNBYITQCQWFDAT-UHFFFAOYSA-N 2 2 349.479 1.160 20 0 EDADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc2c[nH+]cn2c1 ZINC000559547721 306256285 /nfs/dbraw/zinc/25/62/85/306256285.db2.gz IRYXAEXZGWFVAI-IAGOWNOFSA-N 2 2 328.416 1.708 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000168166403 529944414 /nfs/dbraw/zinc/94/44/14/529944414.db2.gz JFKBRVXYUFEBKQ-KKUMJFAQSA-N 2 2 337.489 1.707 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417665708 290725809 /nfs/dbraw/zinc/72/58/09/290725809.db2.gz ZLOCRYLGURSZIJ-DOMZBBRYSA-N 2 2 340.418 1.961 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nnnn3C(C)(C)C)CC2)CC1 ZINC000329776438 539463836 /nfs/dbraw/zinc/46/38/36/539463836.db2.gz OCPHKGOTLPZDKD-UHFFFAOYSA-N 2 2 349.527 1.419 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000168166265 282504688 /nfs/dbraw/zinc/50/46/88/282504688.db2.gz JFKBRVXYUFEBKQ-ILXRZTDVSA-N 2 2 337.489 1.707 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000332808280 539604484 /nfs/dbraw/zinc/60/44/84/539604484.db2.gz SFBBLUWZDPMEGP-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000332808280 539604487 /nfs/dbraw/zinc/60/44/87/539604487.db2.gz SFBBLUWZDPMEGP-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1cc[nH+]c(N2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c1 ZINC000154324580 539619037 /nfs/dbraw/zinc/61/90/37/539619037.db2.gz BBLQJEVZVXXPIF-UHFFFAOYSA-N 2 2 340.431 1.343 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000561174075 306283919 /nfs/dbraw/zinc/28/39/19/306283919.db2.gz HJMFBSNSWVGDTD-AWEZNQCLSA-N 2 2 347.394 1.189 20 0 EDADLP C[NH+]1CCC(CCNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000103301809 219287364 /nfs/dbraw/zinc/28/73/64/219287364.db2.gz ATVNEDFCNQNWPU-UHFFFAOYSA-N 2 2 329.448 1.908 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)[NH+]1CC(C)C1 ZINC000561316266 306286924 /nfs/dbraw/zinc/28/69/24/306286924.db2.gz PQBPWPWXBJTHPP-GJZGRUSLSA-N 2 2 332.448 1.468 20 0 EDADLP C[C@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)[NH+]1CC(C)C1 ZINC000561316265 306286928 /nfs/dbraw/zinc/28/69/28/306286928.db2.gz PQBPWPWXBJTHPP-CABCVRRESA-N 2 2 332.448 1.468 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000151345139 539750724 /nfs/dbraw/zinc/75/07/24/539750724.db2.gz OQEJMCOKXWNVDM-HNNXBMFYSA-N 2 2 328.460 1.993 20 0 EDADLP C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3c[nH+]cn3C)cc2)C[C@H](C)O1 ZINC000355246765 539954147 /nfs/dbraw/zinc/95/41/47/539954147.db2.gz DFZQCTZBGWZJJK-GJZGRUSLSA-N 2 2 342.443 1.959 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000355940618 539960221 /nfs/dbraw/zinc/96/02/21/539960221.db2.gz YNNIRVRBIFDIMI-UHFFFAOYSA-N 2 2 334.464 1.693 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000355940618 539960225 /nfs/dbraw/zinc/96/02/25/539960225.db2.gz YNNIRVRBIFDIMI-UHFFFAOYSA-N 2 2 334.464 1.693 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000562809086 306310074 /nfs/dbraw/zinc/31/00/74/306310074.db2.gz XFIBUTZXGJGVJO-JYJNAYRXSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000562809086 306310075 /nfs/dbraw/zinc/31/00/75/306310075.db2.gz XFIBUTZXGJGVJO-JYJNAYRXSA-N 2 2 338.402 1.747 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccnc(Cl)c2)CC1 ZINC000181850951 234350945 /nfs/dbraw/zinc/35/09/45/234350945.db2.gz DGTYXGVPJZCHEB-UHFFFAOYSA-N 2 2 325.844 1.883 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000369665721 155131750 /nfs/dbraw/zinc/13/17/50/155131750.db2.gz PRHYQSHNUHMAKB-HOCLYGCPSA-N 2 2 344.463 1.928 20 0 EDADLP C[C@H]1c2nncn2CC[NH+]1CCCCC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000361984909 540003668 /nfs/dbraw/zinc/00/36/68/540003668.db2.gz LZPYXTPNZKFLKD-GJZGRUSLSA-N 2 2 344.467 1.493 20 0 EDADLP C[C@H]1c2nncn2CC[NH+]1CCCCC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000361984909 540003671 /nfs/dbraw/zinc/00/36/71/540003671.db2.gz LZPYXTPNZKFLKD-GJZGRUSLSA-N 2 2 344.467 1.493 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H](c3cccnc3)C2)CC1 ZINC000563045627 306316759 /nfs/dbraw/zinc/31/67/59/306316759.db2.gz QQMXMDZXWBJWHV-KRWDZBQOSA-N 2 2 345.491 1.607 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000128206991 222925300 /nfs/dbraw/zinc/92/53/00/222925300.db2.gz QERRDBZIVNBZCE-HNNXBMFYSA-N 2 2 325.416 1.825 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000189094149 540162967 /nfs/dbraw/zinc/16/29/67/540162967.db2.gz URGFGMAQDFJXSF-UHFFFAOYSA-N 2 2 341.459 1.276 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000189094149 540162968 /nfs/dbraw/zinc/16/29/68/540162968.db2.gz URGFGMAQDFJXSF-UHFFFAOYSA-N 2 2 341.459 1.276 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000563352325 306329312 /nfs/dbraw/zinc/32/93/12/306329312.db2.gz IOKUPSLIWQRUFL-PKOBYXMFSA-N 2 2 334.460 1.447 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000563352325 306329313 /nfs/dbraw/zinc/32/93/13/306329313.db2.gz IOKUPSLIWQRUFL-PKOBYXMFSA-N 2 2 334.460 1.447 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000563352325 306329314 /nfs/dbraw/zinc/32/93/14/306329314.db2.gz IOKUPSLIWQRUFL-PKOBYXMFSA-N 2 2 334.460 1.447 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000563352325 306329315 /nfs/dbraw/zinc/32/93/15/306329315.db2.gz IOKUPSLIWQRUFL-PKOBYXMFSA-N 2 2 334.460 1.447 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)CCN2C1=O ZINC000563442749 306333397 /nfs/dbraw/zinc/33/33/97/306333397.db2.gz SVAKROCSDFOCAA-IINYFYTJSA-N 2 2 327.787 1.102 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)CCN2C1=O ZINC000563442749 306333398 /nfs/dbraw/zinc/33/33/98/306333398.db2.gz SVAKROCSDFOCAA-IINYFYTJSA-N 2 2 327.787 1.102 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000073768941 138220743 /nfs/dbraw/zinc/22/07/43/138220743.db2.gz NUPMFVCFOFWCNS-INIZCTEOSA-N 2 2 332.448 1.196 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000073768941 138220744 /nfs/dbraw/zinc/22/07/44/138220744.db2.gz NUPMFVCFOFWCNS-INIZCTEOSA-N 2 2 332.448 1.196 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000078312118 138257025 /nfs/dbraw/zinc/25/70/25/138257025.db2.gz BEYILDBJJXSRHY-UHFFFAOYSA-N 2 2 334.464 1.092 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000124010227 138323106 /nfs/dbraw/zinc/32/31/06/138323106.db2.gz QPRXPDYUOSYLOX-FXAWDEMLSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000124010227 138323107 /nfs/dbraw/zinc/32/31/07/138323107.db2.gz QPRXPDYUOSYLOX-FXAWDEMLSA-N 2 2 345.487 1.739 20 0 EDADLP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000563615035 306341970 /nfs/dbraw/zinc/34/19/70/306341970.db2.gz MAIWANVSFNZXRF-ZWKOTPCHSA-N 2 2 343.475 1.297 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000076941475 283320375 /nfs/dbraw/zinc/32/03/75/283320375.db2.gz DGBQCNUKPNADTM-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000564798043 306365410 /nfs/dbraw/zinc/36/54/10/306365410.db2.gz QGGMTCLFCDRAKH-CYBMUJFWSA-N 2 2 340.265 1.483 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000564798043 306365411 /nfs/dbraw/zinc/36/54/11/306365411.db2.gz QGGMTCLFCDRAKH-CYBMUJFWSA-N 2 2 340.265 1.483 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cccc(Cl)c2)C[C@H](C)O1 ZINC000564845574 306366761 /nfs/dbraw/zinc/36/67/61/306366761.db2.gz ZEPNGHQVICTMIV-JKIFEVAISA-N 2 2 326.868 1.942 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cccc(Cl)c2)C[C@H](C)O1 ZINC000564845574 306366762 /nfs/dbraw/zinc/36/67/62/306366762.db2.gz ZEPNGHQVICTMIV-JKIFEVAISA-N 2 2 326.868 1.942 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000564850357 306367581 /nfs/dbraw/zinc/36/75/81/306367581.db2.gz XOCGOHITMKIPPN-GUTXKFCHSA-N 2 2 326.412 1.394 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000564850357 306367582 /nfs/dbraw/zinc/36/75/82/306367582.db2.gz XOCGOHITMKIPPN-GUTXKFCHSA-N 2 2 326.412 1.394 20 0 EDADLP COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000564873017 306368066 /nfs/dbraw/zinc/36/80/66/306368066.db2.gz KQKKOTZHNRNNPO-CABCVRRESA-N 2 2 345.399 1.014 20 0 EDADLP Cn1c2nnc(C[NH+]3CCC(CC[NH3+])CC3)n2c2ccsc2c1=O ZINC000565096818 306375422 /nfs/dbraw/zinc/37/54/22/306375422.db2.gz YXDOWWVKZTWVMF-UHFFFAOYSA-N 2 2 346.460 1.204 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000129915476 223103530 /nfs/dbraw/zinc/10/35/30/223103530.db2.gz OOSGLBQGXNYGLS-FMKPAKJESA-N 2 2 339.505 1.755 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000129915476 223103533 /nfs/dbraw/zinc/10/35/33/223103533.db2.gz OOSGLBQGXNYGLS-FMKPAKJESA-N 2 2 339.505 1.755 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cc1 ZINC000072875812 216322695 /nfs/dbraw/zinc/32/26/95/216322695.db2.gz AYRWKDAGQODEEF-INIZCTEOSA-N 2 2 331.460 1.824 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)cc1 ZINC000072875812 216322698 /nfs/dbraw/zinc/32/26/98/216322698.db2.gz AYRWKDAGQODEEF-INIZCTEOSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000565589683 306387468 /nfs/dbraw/zinc/38/74/68/306387468.db2.gz JTVJXGQTNDKSQO-VFVRVIDISA-N 2 2 333.432 1.763 20 0 EDADLP Cc1nnc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000565634368 306387962 /nfs/dbraw/zinc/38/79/62/306387962.db2.gz GPRHPJREBLGVAF-UHFFFAOYSA-N 3 2 334.512 1.741 20 0 EDADLP Cc1nnc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000565634368 306387963 /nfs/dbraw/zinc/38/79/63/306387963.db2.gz GPRHPJREBLGVAF-UHFFFAOYSA-N 3 2 334.512 1.741 20 0 EDADLP COC(=O)c1cc(C(C)C)ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565706440 306389079 /nfs/dbraw/zinc/38/90/79/306389079.db2.gz ZUYWWTFZDFFPSS-AWEZNQCLSA-N 2 2 348.447 1.703 20 0 EDADLP COC(=O)c1cc(C(C)C)ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565706440 306389080 /nfs/dbraw/zinc/38/90/80/306389080.db2.gz ZUYWWTFZDFFPSS-AWEZNQCLSA-N 2 2 348.447 1.703 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)ccc2n1C ZINC000565948520 306395301 /nfs/dbraw/zinc/39/53/01/306395301.db2.gz CQLKGUGMUKEEKU-YHWZYXNKSA-N 2 2 326.400 1.635 20 0 EDADLP [NH3+][C@H]1C[C@@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)c2ccccc21 ZINC000566091032 306398442 /nfs/dbraw/zinc/39/84/42/306398442.db2.gz VWLOXOZMPDGTGM-ZWKOTPCHSA-N 2 2 345.468 1.840 20 0 EDADLP COC(=O)[C@@H]1CSCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000414597307 304125673 /nfs/dbraw/zinc/12/56/73/304125673.db2.gz WFXSVBLQUDXSJL-NSHDSACASA-N 2 2 329.491 1.543 20 0 EDADLP COC(=O)[C@@H]1CSCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000414597307 304125674 /nfs/dbraw/zinc/12/56/74/304125674.db2.gz WFXSVBLQUDXSJL-NSHDSACASA-N 2 2 329.491 1.543 20 0 EDADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000414694343 304128257 /nfs/dbraw/zinc/12/82/57/304128257.db2.gz NGBFLZYHNURSCA-MSOLQXFVSA-N 2 2 326.529 1.087 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414717743 304132143 /nfs/dbraw/zinc/13/21/43/304132143.db2.gz ZYCHRQDPBAGCLN-SFHVURJKSA-N 3 2 346.519 1.684 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414717743 304132145 /nfs/dbraw/zinc/13/21/45/304132145.db2.gz ZYCHRQDPBAGCLN-SFHVURJKSA-N 3 2 346.519 1.684 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)n1C ZINC000566498668 306417081 /nfs/dbraw/zinc/41/70/81/306417081.db2.gz FXEKZPZSAVUVQW-UHFFFAOYSA-N 3 2 329.448 1.310 20 0 EDADLP O=C(COc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCCO1)N1CCCC1 ZINC000415048180 304154131 /nfs/dbraw/zinc/15/41/31/304154131.db2.gz WXDGGIMTFQMQJP-QGZVFWFLSA-N 2 2 347.459 1.156 20 0 EDADLP C[N@@H+](Cc1cc2ccccc2nc1N1CCCCC1)C[C@@H](O)C[NH3+] ZINC000415066978 304156489 /nfs/dbraw/zinc/15/64/89/304156489.db2.gz JTEHFWNJELYSFO-KRWDZBQOSA-N 2 2 328.460 1.977 20 0 EDADLP C[N@H+](Cc1cc2ccccc2nc1N1CCCCC1)C[C@@H](O)C[NH3+] ZINC000415066978 304156490 /nfs/dbraw/zinc/15/64/90/304156490.db2.gz JTEHFWNJELYSFO-KRWDZBQOSA-N 2 2 328.460 1.977 20 0 EDADLP Cn1c(C[NH2+]C[C@@H]2C[NH2+]CCO2)nc2cc(C(F)(F)F)ccc21 ZINC000415098202 304159608 /nfs/dbraw/zinc/15/96/08/304159608.db2.gz VCQXGPVIFKUCIQ-NSHDSACASA-N 2 2 328.338 1.670 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000195155724 139008228 /nfs/dbraw/zinc/00/82/28/139008228.db2.gz JHIVGXNQUGJRMO-QZTJIDSGSA-N 2 2 331.460 1.484 20 0 EDADLP CCOCCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195276039 139012090 /nfs/dbraw/zinc/01/20/90/139012090.db2.gz IWVDWIXISKVCTN-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000195519266 139019386 /nfs/dbraw/zinc/01/93/86/139019386.db2.gz IBQDVNHTYHYAKQ-CYBMUJFWSA-N 2 2 337.468 1.644 20 0 EDADLP C[C@H](c1cccc(NC(=O)N[C@@H]2CCC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000415151821 304165885 /nfs/dbraw/zinc/16/58/85/304165885.db2.gz TVDWWQUWXVUROO-RHSMWYFYSA-N 2 2 332.448 1.953 20 0 EDADLP COc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1Br ZINC000228726765 139023588 /nfs/dbraw/zinc/02/35/88/139023588.db2.gz PCIHMGCSXPFUCU-AWEZNQCLSA-N 2 2 331.254 1.860 20 0 EDADLP COCC[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237113571 139041034 /nfs/dbraw/zinc/04/10/34/139041034.db2.gz GZHULTXALWQTCI-YOEHRIQHSA-N 2 2 330.432 1.342 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000079497709 217234959 /nfs/dbraw/zinc/23/49/59/217234959.db2.gz CILYCWZTKNPRLT-JKSUJKDBSA-N 2 2 349.500 1.844 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243104 220121402 /nfs/dbraw/zinc/12/14/02/220121402.db2.gz MGQXRNZUVXSQAX-UHFFFAOYSA-N 2 2 342.443 1.888 20 0 EDADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237496803 139052578 /nfs/dbraw/zinc/05/25/78/139052578.db2.gz ZLRNANKCGKKOKE-BBRMVZONSA-N 2 2 337.851 1.534 20 0 EDADLP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237509967 139052923 /nfs/dbraw/zinc/05/29/23/139052923.db2.gz JDSQZWJPUQPWMW-GUYCJALGSA-N 2 2 334.439 1.190 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cn1 ZINC000237649842 139056937 /nfs/dbraw/zinc/05/69/37/139056937.db2.gz KNVQBOBMDYUKLB-SFHVURJKSA-N 2 2 347.422 1.906 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237897173 139063118 /nfs/dbraw/zinc/06/31/18/139063118.db2.gz LGHAWCAGZMCBQB-UHFFFAOYSA-N 2 2 325.416 1.872 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000081223849 217371240 /nfs/dbraw/zinc/37/12/40/217371240.db2.gz XLMBVWDVLTXWHY-KRZKXXONSA-N 2 2 329.444 1.175 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000081223849 217371244 /nfs/dbraw/zinc/37/12/44/217371244.db2.gz XLMBVWDVLTXWHY-KRZKXXONSA-N 2 2 329.444 1.175 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000245570767 139079835 /nfs/dbraw/zinc/07/98/35/139079835.db2.gz YYBVIJFCAGVEBL-JKSUJKDBSA-N 2 2 327.432 1.316 20 0 EDADLP COc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc(OC)c1 ZINC000112142989 220251566 /nfs/dbraw/zinc/25/15/66/220251566.db2.gz UEOLTMMQRRJXJR-UHFFFAOYSA-N 2 2 333.476 1.917 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@](C)(c3ccccc3)C2)CC1 ZINC000246477788 139109959 /nfs/dbraw/zinc/10/99/59/139109959.db2.gz MZZGGVCRNZOUOV-XLIONFOSSA-N 2 2 345.487 1.787 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@](C)(c3ccccc3)C2)CC1 ZINC000246477788 139109960 /nfs/dbraw/zinc/10/99/60/139109960.db2.gz MZZGGVCRNZOUOV-XLIONFOSSA-N 2 2 345.487 1.787 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246786881 139121698 /nfs/dbraw/zinc/12/16/98/139121698.db2.gz RASNFIYPAHSCMS-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246786881 139121699 /nfs/dbraw/zinc/12/16/99/139121699.db2.gz RASNFIYPAHSCMS-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000246786881 139121700 /nfs/dbraw/zinc/12/17/00/139121700.db2.gz RASNFIYPAHSCMS-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000247563437 139152310 /nfs/dbraw/zinc/15/23/10/139152310.db2.gz RAIYOYOIWNMDOM-CEXWTWQISA-N 2 2 349.519 1.964 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000247563437 139152311 /nfs/dbraw/zinc/15/23/11/139152311.db2.gz RAIYOYOIWNMDOM-CEXWTWQISA-N 2 2 349.519 1.964 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248001073 139156909 /nfs/dbraw/zinc/15/69/09/139156909.db2.gz KJRRTSLEINZFHH-MAUKXSAKSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248001073 139156910 /nfs/dbraw/zinc/15/69/10/139156910.db2.gz KJRRTSLEINZFHH-MAUKXSAKSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248001073 139156911 /nfs/dbraw/zinc/15/69/11/139156911.db2.gz KJRRTSLEINZFHH-MAUKXSAKSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248001073 139156912 /nfs/dbraw/zinc/15/69/12/139156912.db2.gz KJRRTSLEINZFHH-MAUKXSAKSA-N 2 2 344.459 2.000 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248270028 139159816 /nfs/dbraw/zinc/15/98/16/139159816.db2.gz ZAPDWUFGMOKEBS-JFIYKMOQSA-N 2 2 337.508 1.674 20 0 EDADLP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714148 218161827 /nfs/dbraw/zinc/16/18/27/218161827.db2.gz WUDONSVKWCVGOT-UHFFFAOYSA-N 2 2 346.294 1.892 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1CO ZINC000248910201 139180432 /nfs/dbraw/zinc/18/04/32/139180432.db2.gz IVHZFPZDSSNFLV-YJBOKZPZSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1CO ZINC000248910201 139180433 /nfs/dbraw/zinc/18/04/33/139180433.db2.gz IVHZFPZDSSNFLV-YJBOKZPZSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249360230 139191806 /nfs/dbraw/zinc/19/18/06/139191806.db2.gz SJBZNVXKDXTISZ-GTAYFMOCSA-N 2 2 339.505 1.104 20 0 EDADLP C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249360230 139191807 /nfs/dbraw/zinc/19/18/07/139191807.db2.gz SJBZNVXKDXTISZ-GTAYFMOCSA-N 2 2 339.505 1.104 20 0 EDADLP C[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000249767954 139198368 /nfs/dbraw/zinc/19/83/68/139198368.db2.gz BDPMMMSKWYNGHB-VKJFTORMSA-N 2 2 348.466 1.450 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250291354 139200970 /nfs/dbraw/zinc/20/09/70/139200970.db2.gz SRTVKVIBUNTMOU-FGTMMUONSA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250291354 139200971 /nfs/dbraw/zinc/20/09/71/139200971.db2.gz SRTVKVIBUNTMOU-FGTMMUONSA-N 2 2 338.540 1.638 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000568994837 306494502 /nfs/dbraw/zinc/49/45/02/306494502.db2.gz IFLDJRMXHYZAGX-WMLDXEAASA-N 2 2 343.537 1.335 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000253190135 139205709 /nfs/dbraw/zinc/20/57/09/139205709.db2.gz KRKPMDICLYRKHF-GHMZBOCLSA-N 2 2 341.253 1.699 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000253190135 139205710 /nfs/dbraw/zinc/20/57/10/139205710.db2.gz KRKPMDICLYRKHF-GHMZBOCLSA-N 2 2 341.253 1.699 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000261607275 139210201 /nfs/dbraw/zinc/21/02/01/139210201.db2.gz RQBCFSSSAUHCMP-NZSAHSFTSA-N 2 2 333.476 1.244 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000261645342 139214074 /nfs/dbraw/zinc/21/40/74/139214074.db2.gz XKVKYJAOTCQHEE-ZWKOTPCHSA-N 2 2 343.471 1.393 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000261645342 139214075 /nfs/dbraw/zinc/21/40/75/139214075.db2.gz XKVKYJAOTCQHEE-ZWKOTPCHSA-N 2 2 343.471 1.393 20 0 EDADLP CC(C)c1ccc(NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000261682305 139217076 /nfs/dbraw/zinc/21/70/76/139217076.db2.gz MXHPGAACCNSLII-SFHVURJKSA-N 2 2 330.476 1.728 20 0 EDADLP [NH3+]C1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCOCC1 ZINC000261695409 139218372 /nfs/dbraw/zinc/21/83/72/139218372.db2.gz DJXWIKNGUUJAGH-UHFFFAOYSA-N 2 2 332.448 1.586 20 0 EDADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000261727122 139220918 /nfs/dbraw/zinc/22/09/18/139220918.db2.gz RIFJPFWMEQFKHC-KBPBESRZSA-N 2 2 335.452 1.273 20 0 EDADLP CC(C)c1nc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000261727122 139220919 /nfs/dbraw/zinc/22/09/19/139220919.db2.gz RIFJPFWMEQFKHC-KBPBESRZSA-N 2 2 335.452 1.273 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@](C)(C[NH3+])C3)C2=O)c1 ZINC000261718510 139220207 /nfs/dbraw/zinc/22/02/07/139220207.db2.gz JEIPUQVWTFCIOA-FUHWJXTLSA-N 2 2 333.432 1.480 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@](C)(C[NH3+])C3)C2=O)c1 ZINC000261718510 139220208 /nfs/dbraw/zinc/22/02/08/139220208.db2.gz JEIPUQVWTFCIOA-FUHWJXTLSA-N 2 2 333.432 1.480 20 0 EDADLP [NH3+][C@H](C(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CCOCC1 ZINC000261799394 139227111 /nfs/dbraw/zinc/22/71/11/139227111.db2.gz GYAQFANNRUKTBE-SFHVURJKSA-N 2 2 342.443 1.496 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)c[nH+]2)CC1 ZINC000261813656 139228165 /nfs/dbraw/zinc/22/81/65/139228165.db2.gz OXYYTLGGTLAXPZ-GOSISDBHSA-N 2 2 346.475 1.688 20 0 EDADLP [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000415460105 304223553 /nfs/dbraw/zinc/22/35/53/304223553.db2.gz XWXBNPDATDRJGM-INIZCTEOSA-N 2 2 340.383 1.666 20 0 EDADLP C[C@@]1(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC[NH2+]C1 ZINC000261869408 139232787 /nfs/dbraw/zinc/23/27/87/139232787.db2.gz ONBSIVZJMWVMEN-GOSISDBHSA-N 2 2 331.416 1.173 20 0 EDADLP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261943890 139239133 /nfs/dbraw/zinc/23/91/33/139239133.db2.gz NBHKEVVFYGWYJX-HZPDHXFCSA-N 2 2 348.466 1.770 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000261937128 139238519 /nfs/dbraw/zinc/23/85/19/139238519.db2.gz UCLHGMRVJIBOPH-KURKYZTESA-N 2 2 328.460 1.647 20 0 EDADLP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)nc1 ZINC000261959223 139240126 /nfs/dbraw/zinc/24/01/26/139240126.db2.gz PIVZGEGJGMCXGM-XUVXKRRUSA-N 3 2 344.503 1.793 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000262128950 139253452 /nfs/dbraw/zinc/25/34/52/139253452.db2.gz MBGHHDAKCISZQE-LJQANCHMSA-N 2 2 346.475 1.807 20 0 EDADLP C[C@]1(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)CC[NH2+]C1 ZINC000262146007 139254913 /nfs/dbraw/zinc/25/49/13/139254913.db2.gz ZNCNADWWGPMZCX-FQEVSTJZSA-N 2 2 342.487 1.193 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000416881456 251117577 /nfs/dbraw/zinc/11/75/77/251117577.db2.gz HEPZDZJROMWQHD-ZFWWWQNUSA-N 2 2 329.448 1.971 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccsc1 ZINC000417021135 251136430 /nfs/dbraw/zinc/13/64/30/251136430.db2.gz SWQMDHPGCZFJBO-UKRRQHHQSA-N 2 2 328.457 1.694 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]([NH3+])C3)c[nH+]2)C[C@@H](C)O1 ZINC000416994884 251122888 /nfs/dbraw/zinc/12/28/88/251122888.db2.gz USMXMEJVZBGQII-FMKPAKJESA-N 2 2 347.463 1.328 20 0 EDADLP [NH3+][C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000417584004 251198565 /nfs/dbraw/zinc/19/85/65/251198565.db2.gz LSTQSDCQNKVRIH-QWHCGFSZSA-N 2 2 338.402 1.672 20 0 EDADLP [NH3+][C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000417584004 251198568 /nfs/dbraw/zinc/19/85/68/251198568.db2.gz LSTQSDCQNKVRIH-QWHCGFSZSA-N 2 2 338.402 1.672 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000417653360 251213388 /nfs/dbraw/zinc/21/33/88/251213388.db2.gz AYZMRIACBPJUBN-RISCZKNCSA-N 2 2 326.391 1.571 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000417653358 251214245 /nfs/dbraw/zinc/21/42/45/251214245.db2.gz AYZMRIACBPJUBN-BXUZGUMPSA-N 2 2 326.391 1.571 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417660862 251217265 /nfs/dbraw/zinc/21/72/65/251217265.db2.gz NXXVTQQJQSBEES-KCPJHIHWSA-N 2 2 340.418 1.865 20 0 EDADLP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000262396008 139275931 /nfs/dbraw/zinc/27/59/31/139275931.db2.gz OWDWXEIPTMVDJL-DOMZBBRYSA-N 2 2 347.802 1.837 20 0 EDADLP C[C@H]1CC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000262444880 139279484 /nfs/dbraw/zinc/27/94/84/139279484.db2.gz HGIYGXSLYAPSKF-ZFWWWQNUSA-N 2 2 325.478 1.354 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000262444880 139279485 /nfs/dbraw/zinc/27/94/85/139279485.db2.gz HGIYGXSLYAPSKF-ZFWWWQNUSA-N 2 2 325.478 1.354 20 0 EDADLP C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CCO1 ZINC000417837550 251292610 /nfs/dbraw/zinc/29/26/10/251292610.db2.gz VKFSJOARQRMUFK-STQMWFEESA-N 2 2 340.493 1.546 20 0 EDADLP C[C@H]1C[N@H+]([C@@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CCO1 ZINC000417837550 251292614 /nfs/dbraw/zinc/29/26/14/251292614.db2.gz VKFSJOARQRMUFK-STQMWFEESA-N 2 2 340.493 1.546 20 0 EDADLP CC[NH2+]CCNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000418319249 251360464 /nfs/dbraw/zinc/36/04/64/251360464.db2.gz BKZCGVXGYFXNLH-KBPBESRZSA-N 2 2 341.431 1.146 20 0 EDADLP CC[NH2+]CCNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000418319249 251360468 /nfs/dbraw/zinc/36/04/68/251360468.db2.gz BKZCGVXGYFXNLH-KBPBESRZSA-N 2 2 341.431 1.146 20 0 EDADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000418386074 251363828 /nfs/dbraw/zinc/36/38/28/251363828.db2.gz RCIYPIPOYIVKKY-OAHLLOKOSA-N 2 2 336.867 1.919 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418711650 251391470 /nfs/dbraw/zinc/39/14/70/251391470.db2.gz USXRBLXKKSVLHK-INIZCTEOSA-N 2 2 334.464 1.520 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)cc[nH+]1 ZINC000418710595 251391690 /nfs/dbraw/zinc/39/16/90/251391690.db2.gz DXUNONDHLMNLHS-GJZGRUSLSA-N 2 2 332.452 1.134 20 0 EDADLP O=C(NC1[C@H]2C[NH2+]C[C@@H]12)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418710213 251392252 /nfs/dbraw/zinc/39/22/52/251392252.db2.gz VADQOTXJVDBYGU-KDKASKTOSA-N 2 2 326.444 1.245 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000418525764 251375801 /nfs/dbraw/zinc/37/58/01/251375801.db2.gz OSOFQIIDNJBLES-OLZOCXBDSA-N 2 2 326.466 1.110 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262662807 139294163 /nfs/dbraw/zinc/29/41/63/139294163.db2.gz OIFAAZPUTKAMTI-SFHVURJKSA-N 2 2 332.492 1.529 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262662807 139294164 /nfs/dbraw/zinc/29/41/64/139294164.db2.gz OIFAAZPUTKAMTI-SFHVURJKSA-N 2 2 332.492 1.529 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000569575986 306511505 /nfs/dbraw/zinc/51/15/05/306511505.db2.gz AUQOOBPIXXEITQ-NJAFHUGGSA-N 2 2 346.475 1.357 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000262791455 139303936 /nfs/dbraw/zinc/30/39/36/139303936.db2.gz DDOSWKJFUDDHNK-UONOGXRCSA-N 2 2 339.867 1.909 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000153058587 224052584 /nfs/dbraw/zinc/05/25/84/224052584.db2.gz YYBVIJFCAGVEBL-HOTGVXAUSA-N 2 2 327.432 1.316 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422881470 252009819 /nfs/dbraw/zinc/00/98/19/252009819.db2.gz NTVNTZGEVSITGW-CRAIPNDOSA-N 3 2 330.476 1.162 20 0 EDADLP O=C(NCC[NH2+]C1CCCCCC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422879925 252010888 /nfs/dbraw/zinc/01/08/88/252010888.db2.gz WECSOCMWVSSOGX-GOSISDBHSA-N 2 2 337.508 1.916 20 0 EDADLP O=C(NCC[NH2+]C1CCCCCC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422879925 252010895 /nfs/dbraw/zinc/01/08/95/252010895.db2.gz WECSOCMWVSSOGX-GOSISDBHSA-N 2 2 337.508 1.916 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000422891559 252013738 /nfs/dbraw/zinc/01/37/38/252013738.db2.gz VWDNQFRCHYYAIH-KBXCAEBGSA-N 2 2 331.460 1.966 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000422891559 252013740 /nfs/dbraw/zinc/01/37/40/252013740.db2.gz VWDNQFRCHYYAIH-KBXCAEBGSA-N 2 2 331.460 1.966 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422860862 252003301 /nfs/dbraw/zinc/00/33/01/252003301.db2.gz LYHQCSSDQRRYPF-UYAOXDASSA-N 3 2 332.536 1.952 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422860862 252003305 /nfs/dbraw/zinc/00/33/05/252003305.db2.gz LYHQCSSDQRRYPF-UYAOXDASSA-N 3 2 332.536 1.952 20 0 EDADLP COc1cc(NCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(OC)c1 ZINC000423006612 252024321 /nfs/dbraw/zinc/02/43/21/252024321.db2.gz WARNXEWGFVKDJQ-ZWKOTPCHSA-N 2 2 335.448 1.472 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000423008024 252025603 /nfs/dbraw/zinc/02/56/03/252025603.db2.gz ZCQBACHSQXVZQH-YNEHKIRRSA-N 2 2 332.491 1.003 20 0 EDADLP COC[C@]1(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)CC[NH2+]C1 ZINC000423413779 252053749 /nfs/dbraw/zinc/05/37/49/252053749.db2.gz ZZPZDVXEKZMSGH-IBGZPJMESA-N 2 2 342.443 1.516 20 0 EDADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000423523623 252059817 /nfs/dbraw/zinc/05/98/17/252059817.db2.gz SEUTYBCWNMRFPP-PMACEKPBSA-N 2 2 346.519 1.116 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423775422 252069330 /nfs/dbraw/zinc/06/93/30/252069330.db2.gz CXUFWOAZTCFDGT-UHFFFAOYSA-N 2 2 339.443 1.509 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]([NH3+])c3c(F)cccc3F)CC2)cc[nH+]1 ZINC000423779071 252070787 /nfs/dbraw/zinc/07/07/87/252070787.db2.gz HYXCDHLUVNFZHM-MRXNPFEDSA-N 2 2 347.369 1.412 20 0 EDADLP FC(F)(F)c1cccnc1OCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422992766 252023607 /nfs/dbraw/zinc/02/36/07/252023607.db2.gz DKVBMXKPSVTXMY-KGLIPLIRSA-N 2 2 345.365 1.836 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000423794006 252077802 /nfs/dbraw/zinc/07/78/02/252077802.db2.gz CXKQAFLMSLDUBS-YJBOKZPZSA-N 2 2 338.455 1.916 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ncc(-c2ccccc2)n1C ZINC000569711532 306517350 /nfs/dbraw/zinc/51/73/50/306517350.db2.gz IHSCCHYSEDOAHS-CQSZACIVSA-N 2 2 327.432 1.170 20 0 EDADLP Cn1c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)nc2cc(C(F)(F)F)ccc21 ZINC000263200572 139328007 /nfs/dbraw/zinc/32/80/07/139328007.db2.gz IYGODDOFGBAIIC-NOZJJQNGSA-N 2 2 328.338 1.262 20 0 EDADLP COCC[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000237163346 285074649 /nfs/dbraw/zinc/07/46/49/285074649.db2.gz NKGOBRRSAFWTAE-CQSZACIVSA-N 2 2 339.867 1.781 20 0 EDADLP COC[C@@]1(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CC[NH2+]C1 ZINC000570165768 306532227 /nfs/dbraw/zinc/53/22/27/306532227.db2.gz BGVFBYIBPCHQPN-LJQANCHMSA-N 2 2 347.459 1.392 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415722637 304261480 /nfs/dbraw/zinc/26/14/80/304261480.db2.gz CPSFEAZOJQMRQR-MLGOLLRUSA-N 2 2 340.383 1.761 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114479176 220697685 /nfs/dbraw/zinc/69/76/85/220697685.db2.gz IPFVUEZCDJMNJJ-KRWDZBQOSA-N 2 2 333.476 1.797 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114479176 220697688 /nfs/dbraw/zinc/69/76/88/220697688.db2.gz IPFVUEZCDJMNJJ-KRWDZBQOSA-N 2 2 333.476 1.797 20 0 EDADLP C[C@H]([NH2+][C@@H](C)c1ccn(C)n1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000459790651 255001936 /nfs/dbraw/zinc/00/19/36/255001936.db2.gz MRLUZJILGYFFGE-GJZGRUSLSA-N 2 2 342.447 1.203 20 0 EDADLP C(=C/c1ccncc1)\C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000486943033 255020507 /nfs/dbraw/zinc/02/05/07/255020507.db2.gz XARCHJADXIAVEQ-DAFODLJHSA-N 2 2 338.459 1.687 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](CO)[C@@H]3C)CC2)c1 ZINC000488713821 255050006 /nfs/dbraw/zinc/05/00/06/255050006.db2.gz CZSDXTBYHXORDQ-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](CO)[C@@H]3C)CC2)c1 ZINC000488713821 255050007 /nfs/dbraw/zinc/05/00/07/255050007.db2.gz CZSDXTBYHXORDQ-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)C1CC[NH+](CCO)CC1 ZINC000487909817 255039843 /nfs/dbraw/zinc/03/98/43/255039843.db2.gz MLFVAPTXWUKZIB-UHFFFAOYSA-N 2 2 348.443 1.419 20 0 EDADLP C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)C1CC[NH+](CCO)CC1 ZINC000487909817 255039845 /nfs/dbraw/zinc/03/98/45/255039845.db2.gz MLFVAPTXWUKZIB-UHFFFAOYSA-N 2 2 348.443 1.419 20 0 EDADLP CC(C)[C@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CS1 ZINC000488420240 255043729 /nfs/dbraw/zinc/04/37/29/255043729.db2.gz QHMWNQNCYODISP-DLBZAZTESA-N 2 2 329.554 1.496 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)/C=C/c3[nH]cc[nH+]3)c2)CCO1 ZINC000493526685 255213564 /nfs/dbraw/zinc/21/35/64/255213564.db2.gz VUTDGWURYXSEQA-NFAHFFEMSA-N 2 2 340.427 1.960 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)/C=C/c3[nH]cc[nH+]3)c2)CCO1 ZINC000493526685 255213565 /nfs/dbraw/zinc/21/35/65/255213565.db2.gz VUTDGWURYXSEQA-NFAHFFEMSA-N 2 2 340.427 1.960 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2csc(Br)c2)[C@H](C[NH3+])C1 ZINC000493111100 255191577 /nfs/dbraw/zinc/19/15/77/255191577.db2.gz BXFRDRUXHICWBR-KXMPLOMGSA-N 2 2 344.278 1.625 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2csc(Br)c2)[C@H](C[NH3+])C1 ZINC000493111100 255191578 /nfs/dbraw/zinc/19/15/78/255191578.db2.gz BXFRDRUXHICWBR-KXMPLOMGSA-N 2 2 344.278 1.625 20 0 EDADLP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493265117 255200351 /nfs/dbraw/zinc/20/03/51/255200351.db2.gz SAMHZSKXZYZXDC-MVGZEHJDSA-N 2 2 348.447 1.689 20 0 EDADLP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493265117 255200352 /nfs/dbraw/zinc/20/03/52/255200352.db2.gz SAMHZSKXZYZXDC-MVGZEHJDSA-N 2 2 348.447 1.689 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000494880812 255263990 /nfs/dbraw/zinc/26/39/90/255263990.db2.gz TYOMUYLSKXUOTE-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000494880812 255263991 /nfs/dbraw/zinc/26/39/91/255263991.db2.gz TYOMUYLSKXUOTE-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092350 255351317 /nfs/dbraw/zinc/35/13/17/255351317.db2.gz KKLKYNGNNXNBLI-GJZGRUSLSA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092350 255351318 /nfs/dbraw/zinc/35/13/18/255351318.db2.gz KKLKYNGNNXNBLI-GJZGRUSLSA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092350 255351319 /nfs/dbraw/zinc/35/13/19/255351319.db2.gz KKLKYNGNNXNBLI-GJZGRUSLSA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092350 255351320 /nfs/dbraw/zinc/35/13/20/255351320.db2.gz KKLKYNGNNXNBLI-GJZGRUSLSA-N 2 2 329.485 1.630 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000119624278 221361963 /nfs/dbraw/zinc/36/19/63/221361963.db2.gz MIOBEQAZVJNKED-UHFFFAOYSA-N 2 2 334.420 1.219 20 0 EDADLP C[N@H+](CCNC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCCC1 ZINC000264181845 139384979 /nfs/dbraw/zinc/38/49/79/139384979.db2.gz AYURHYVQZNWTOA-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP C[N@@H+](CCNC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCCC1 ZINC000264181845 139384980 /nfs/dbraw/zinc/38/49/80/139384980.db2.gz AYURHYVQZNWTOA-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP O[C@@H](CN1CC[NH+](C/C=C\c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000337464130 285352289 /nfs/dbraw/zinc/35/22/89/285352289.db2.gz RIKVGPHDNQZTAA-FDIFFNORSA-N 2 2 345.487 1.011 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@H]1C[NH3+] ZINC000415850568 304281699 /nfs/dbraw/zinc/28/16/99/304281699.db2.gz OBQYFNOKVPUVIB-ZIAGYGMSSA-N 2 2 341.415 1.254 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415933183 304286183 /nfs/dbraw/zinc/28/61/83/304286183.db2.gz FNCIJCAYMNPKEN-UHFFFAOYSA-N 3 2 349.479 1.172 20 0 EDADLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000369668723 155132242 /nfs/dbraw/zinc/13/22/42/155132242.db2.gz ZQJVTKQPUNOXFV-ZIAGYGMSSA-N 2 2 328.420 1.519 20 0 EDADLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000369668720 155132246 /nfs/dbraw/zinc/13/22/46/155132246.db2.gz ZQJVTKQPUNOXFV-KBPBESRZSA-N 2 2 328.420 1.519 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCSC1 ZINC000270371337 140087823 /nfs/dbraw/zinc/08/78/23/140087823.db2.gz SNSVIVYLNBKAII-QGZVFWFLSA-N 2 2 333.501 1.768 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCSC1 ZINC000270371337 140087824 /nfs/dbraw/zinc/08/78/24/140087824.db2.gz SNSVIVYLNBKAII-QGZVFWFLSA-N 2 2 333.501 1.768 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000270922637 140199486 /nfs/dbraw/zinc/19/94/86/140199486.db2.gz PDUCNEGRRRAPEF-ROUUACIJSA-N 2 2 331.460 1.034 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000270922637 140199487 /nfs/dbraw/zinc/19/94/87/140199487.db2.gz PDUCNEGRRRAPEF-ROUUACIJSA-N 2 2 331.460 1.034 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCc4n[nH]cc4C3)c2cc1C ZINC000271631186 140323295 /nfs/dbraw/zinc/32/32/95/140323295.db2.gz YJZRUZYBSIIDED-OAHLLOKOSA-N 2 2 325.416 1.795 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCc4n[nH]cc4C3)c2cc1C ZINC000271631186 140323297 /nfs/dbraw/zinc/32/32/97/140323297.db2.gz YJZRUZYBSIIDED-OAHLLOKOSA-N 2 2 325.416 1.795 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC000333134580 141269798 /nfs/dbraw/zinc/26/97/98/141269798.db2.gz BJJGVMCHYXQGEQ-DLBZAZTESA-N 2 2 345.491 1.654 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC000333134580 141269799 /nfs/dbraw/zinc/26/97/99/141269799.db2.gz BJJGVMCHYXQGEQ-DLBZAZTESA-N 2 2 345.491 1.654 20 0 EDADLP CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000333254343 141288236 /nfs/dbraw/zinc/28/82/36/141288236.db2.gz HNCFRSYYJXSPMP-IXDOHACOSA-N 2 2 337.489 1.493 20 0 EDADLP C[C@@H]1CC2(CN1C(=O)c1cc(-n3cc[nH+]c3)ccn1)CC[NH2+]CC2 ZINC000333645785 141349835 /nfs/dbraw/zinc/34/98/35/141349835.db2.gz YCPHNYJBPYWLAH-CQSZACIVSA-N 2 2 325.416 1.872 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000333683750 141356999 /nfs/dbraw/zinc/35/69/99/141356999.db2.gz PBIURRYMQHFADV-YOEHRIQHSA-N 2 2 348.495 1.005 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000333872752 141399003 /nfs/dbraw/zinc/39/90/03/141399003.db2.gz UVHBDBGJXAPVGQ-HIFRSBDPSA-N 2 2 337.493 1.358 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000333872752 141399004 /nfs/dbraw/zinc/39/90/04/141399004.db2.gz UVHBDBGJXAPVGQ-HIFRSBDPSA-N 2 2 337.493 1.358 20 0 EDADLP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000338569688 141835069 /nfs/dbraw/zinc/83/50/69/141835069.db2.gz LIOCZGYFGOGPJM-HZPDHXFCSA-N 2 2 325.497 1.534 20 0 EDADLP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000338569688 141835070 /nfs/dbraw/zinc/83/50/70/141835070.db2.gz LIOCZGYFGOGPJM-HZPDHXFCSA-N 2 2 325.497 1.534 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCCCn2cc[nH+]c2)([NH+](C)C)C1 ZINC000339529420 142067220 /nfs/dbraw/zinc/06/72/20/142067220.db2.gz SJITWXWPHTVTEI-CRAIPNDOSA-N 2 2 349.479 1.016 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000340181672 142294479 /nfs/dbraw/zinc/29/44/79/142294479.db2.gz WQIJIGXNPRGPCR-YOEHRIQHSA-N 2 2 346.454 1.649 20 0 EDADLP CC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000340257304 142322198 /nfs/dbraw/zinc/32/21/98/142322198.db2.gz UUTQYABYOUUKPL-KRWDZBQOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccncc1F ZINC000340395162 142375515 /nfs/dbraw/zinc/37/55/15/142375515.db2.gz OTZORRNQTXNEPI-FFHGMXDLSA-N 2 2 334.439 1.955 20 0 EDADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccncc1F ZINC000340395162 142375516 /nfs/dbraw/zinc/37/55/16/142375516.db2.gz OTZORRNQTXNEPI-FFHGMXDLSA-N 2 2 334.439 1.955 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)CC1 ZINC000340916561 142515338 /nfs/dbraw/zinc/51/53/38/142515338.db2.gz JHINHNQJPUIYFT-FUHWJXTLSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)CC1 ZINC000340916561 142515339 /nfs/dbraw/zinc/51/53/39/142515339.db2.gz JHINHNQJPUIYFT-FUHWJXTLSA-N 2 2 331.460 1.094 20 0 EDADLP OC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341910806 142665424 /nfs/dbraw/zinc/66/54/24/142665424.db2.gz MCGZDTYUEMLMAV-PMACEKPBSA-N 2 2 348.487 1.655 20 0 EDADLP OC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341910806 142665425 /nfs/dbraw/zinc/66/54/25/142665425.db2.gz MCGZDTYUEMLMAV-PMACEKPBSA-N 2 2 348.487 1.655 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000345046549 143043365 /nfs/dbraw/zinc/04/33/65/143043365.db2.gz JLRKSIDOHPZWJN-BRWVUGGUSA-N 2 2 346.475 1.381 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC000345091000 143048832 /nfs/dbraw/zinc/04/88/32/143048832.db2.gz MDDKRYKBEKQARF-BRWVUGGUSA-N 2 2 346.475 1.333 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC000345091000 143048833 /nfs/dbraw/zinc/04/88/33/143048833.db2.gz MDDKRYKBEKQARF-BRWVUGGUSA-N 2 2 346.475 1.333 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345458455 143093474 /nfs/dbraw/zinc/09/34/74/143093474.db2.gz GLKAMGGLFSQHJV-NVXWUHKLSA-N 2 2 348.447 1.355 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345458455 143093475 /nfs/dbraw/zinc/09/34/75/143093475.db2.gz GLKAMGGLFSQHJV-NVXWUHKLSA-N 2 2 348.447 1.355 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]([NH3+])CC(F)F)c2)CC1 ZINC000345718396 143125146 /nfs/dbraw/zinc/12/51/46/143125146.db2.gz SDGVNYQZLNCWEB-CQSZACIVSA-N 2 2 326.391 1.355 20 0 EDADLP COc1ccc([C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c2[nH+]ccn2C)cc1 ZINC000345727082 143126220 /nfs/dbraw/zinc/12/62/20/143126220.db2.gz ZMAKLCLYQBWNKR-GXTWGEPZSA-N 2 2 338.358 1.617 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000346284797 143186774 /nfs/dbraw/zinc/18/67/74/143186774.db2.gz OYLUTABGTWWYRF-BQFCYCMXSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000346284797 143186775 /nfs/dbraw/zinc/18/67/75/143186775.db2.gz OYLUTABGTWWYRF-BQFCYCMXSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000346284797 143186776 /nfs/dbraw/zinc/18/67/76/143186776.db2.gz OYLUTABGTWWYRF-BQFCYCMXSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000346284797 143186777 /nfs/dbraw/zinc/18/67/77/143186777.db2.gz OYLUTABGTWWYRF-BQFCYCMXSA-N 2 2 331.460 1.174 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)nc1 ZINC000346333061 143193005 /nfs/dbraw/zinc/19/30/05/143193005.db2.gz PEYZYBLLKOBTBQ-GUYCJALGSA-N 2 2 344.459 1.519 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)nc1 ZINC000346333061 143193006 /nfs/dbraw/zinc/19/30/06/143193006.db2.gz PEYZYBLLKOBTBQ-GUYCJALGSA-N 2 2 344.459 1.519 20 0 EDADLP OC[C@@H]1C[C@H](F)C[NH+]1Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000346366819 143197295 /nfs/dbraw/zinc/19/72/95/143197295.db2.gz GHMCXXSZBWNNPN-XSLAGTTESA-N 2 2 340.414 1.496 20 0 EDADLP OC[C@@H]1C[C@H](F)C[NH+]1Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000346366819 143197296 /nfs/dbraw/zinc/19/72/96/143197296.db2.gz GHMCXXSZBWNNPN-XSLAGTTESA-N 2 2 340.414 1.496 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000346455382 143206654 /nfs/dbraw/zinc/20/66/54/143206654.db2.gz UUPABKCYPXHOLF-CVEARBPZSA-N 2 2 331.464 1.704 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000346455382 143206653 /nfs/dbraw/zinc/20/66/53/143206653.db2.gz UUPABKCYPXHOLF-CVEARBPZSA-N 2 2 331.464 1.704 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000346533940 143214346 /nfs/dbraw/zinc/21/43/46/143214346.db2.gz USSHBWDNTGMGQZ-JHNDHUHGSA-N 2 2 331.464 1.958 20 0 EDADLP [NH3+]CCCOC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000346669825 143229358 /nfs/dbraw/zinc/22/93/58/143229358.db2.gz JAHPIBRRXAFCIS-UHFFFAOYSA-N 2 2 330.436 1.051 20 0 EDADLP O=S(=O)(c1ccccc1)N1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346852356 143251809 /nfs/dbraw/zinc/25/18/09/143251809.db2.gz LAEJFQIASLZHFC-MRXNPFEDSA-N 2 2 337.489 1.383 20 0 EDADLP O=S(=O)(c1ccccc1)N1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346852356 143251810 /nfs/dbraw/zinc/25/18/10/143251810.db2.gz LAEJFQIASLZHFC-MRXNPFEDSA-N 2 2 337.489 1.383 20 0 EDADLP O=C1C[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H](c2cccnc2)N1C1CC1 ZINC000346879065 143255237 /nfs/dbraw/zinc/25/52/37/143255237.db2.gz OAYBNHAGLFXVMV-FUHWJXTLSA-N 2 2 325.416 1.762 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1OC1CCCC1 ZINC000347115739 143284448 /nfs/dbraw/zinc/28/44/48/143284448.db2.gz VDHSAZIVLBZAON-UHFFFAOYSA-N 2 2 331.460 1.872 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1OC1CCCC1 ZINC000347115739 143284449 /nfs/dbraw/zinc/28/44/49/143284449.db2.gz VDHSAZIVLBZAON-UHFFFAOYSA-N 2 2 331.460 1.872 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000347457050 143323853 /nfs/dbraw/zinc/32/38/53/143323853.db2.gz WPTKUQHHEUAONK-FGTMMUONSA-N 2 2 333.476 1.857 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1)[NH+](C)C ZINC000347457050 143323854 /nfs/dbraw/zinc/32/38/54/143323854.db2.gz WPTKUQHHEUAONK-FGTMMUONSA-N 2 2 333.476 1.857 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)ccc1-n1cncn1 ZINC000347787765 143363245 /nfs/dbraw/zinc/36/32/45/143363245.db2.gz XJOXJWWYBJXHOB-INIZCTEOSA-N 2 2 329.448 1.776 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCCCO1 ZINC000349344967 143490835 /nfs/dbraw/zinc/49/08/35/143490835.db2.gz HOPLIIHJKAEWRX-GDBMZVCRSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000416508018 304326729 /nfs/dbraw/zinc/32/67/29/304326729.db2.gz NGZUHGQHFFVPCQ-UHFFFAOYSA-N 2 2 336.461 1.550 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000250116650 296581454 /nfs/dbraw/zinc/58/14/54/296581454.db2.gz UOZAAHYIEXGHMW-PVAVHDDUSA-N 2 2 333.501 1.891 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416822498 304350057 /nfs/dbraw/zinc/35/00/57/304350057.db2.gz NASVNGDEPMOOMS-OLZOCXBDSA-N 2 2 326.466 1.158 20 0 EDADLP [NH3+][C@H]1CCCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416894764 304353843 /nfs/dbraw/zinc/35/38/43/304353843.db2.gz RHEPESHPEQFTBF-DLBZAZTESA-N 2 2 332.448 1.193 20 0 EDADLP COc1c(O)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000352631210 149094111 /nfs/dbraw/zinc/09/41/11/149094111.db2.gz VGGVWIDMAJMYLA-RDJZCZTQSA-N 2 2 333.476 1.859 20 0 EDADLP COc1c(O)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000352631210 149094112 /nfs/dbraw/zinc/09/41/12/149094112.db2.gz VGGVWIDMAJMYLA-RDJZCZTQSA-N 2 2 333.476 1.859 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000352793208 149167678 /nfs/dbraw/zinc/16/76/78/149167678.db2.gz APPUCWMQMXMSGU-GOSISDBHSA-N 3 2 338.540 1.828 20 0 EDADLP Cn1cc(CN2C[C@H](F)C[C@H]2C[NH2+]Cc2cccc3[nH+]ccn32)cn1 ZINC000352898806 149208052 /nfs/dbraw/zinc/20/80/52/149208052.db2.gz PTNKXMYDZOOOOK-WBVHZDCISA-N 2 2 342.422 1.770 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000352955254 149227701 /nfs/dbraw/zinc/22/77/01/149227701.db2.gz ZAYKOEXBKSVTRQ-CQSZACIVSA-N 2 2 339.237 1.253 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000352955254 149227704 /nfs/dbraw/zinc/22/77/04/149227704.db2.gz ZAYKOEXBKSVTRQ-CQSZACIVSA-N 2 2 339.237 1.253 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)NCC3([NH3+])CCC3)c[nH+]2)CC1 ZINC000416970379 304357220 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CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3c(C)[nH+]c4ccccc43)[C@@H]2C1 ZINC000355296650 150203647 /nfs/dbraw/zinc/20/36/47/150203647.db2.gz FYELWCGCXFDEON-QZTJIDSGSA-N 2 2 342.443 1.666 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)Cn3c(C)[nH+]c4ccccc43)[C@@H]2C1 ZINC000355296650 150203650 /nfs/dbraw/zinc/20/36/50/150203650.db2.gz FYELWCGCXFDEON-QZTJIDSGSA-N 2 2 342.443 1.666 20 0 EDADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000355341210 150223957 /nfs/dbraw/zinc/22/39/57/150223957.db2.gz VZLPRKFCFGCZKK-CVEARBPZSA-N 2 2 328.416 1.198 20 0 EDADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000355341210 150223960 /nfs/dbraw/zinc/22/39/60/150223960.db2.gz VZLPRKFCFGCZKK-CVEARBPZSA-N 2 2 328.416 1.198 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C(F)F ZINC000416986001 304361879 /nfs/dbraw/zinc/36/18/79/304361879.db2.gz LUWNYAOXQHNIDP-CYBMUJFWSA-N 2 2 341.406 1.854 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370014316 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EDADLP CCCCOC[C@H](O)C[N@H+]1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000373913337 157062094 /nfs/dbraw/zinc/06/20/94/157062094.db2.gz XQVWUIMBFHGNKU-QGZVFWFLSA-N 2 2 338.496 1.588 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCCOc1cccc(F)c1 ZINC000374199924 157189524 /nfs/dbraw/zinc/18/95/24/157189524.db2.gz MUMGTFSRUQUYJV-UHFFFAOYSA-N 2 2 346.406 1.923 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C(=O)OC ZINC000374201473 157191372 /nfs/dbraw/zinc/19/13/72/157191372.db2.gz WGYNCCRSGNDNIM-WBMJQRKESA-N 2 2 336.436 1.293 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2=O)n(C)n1 ZINC000374208122 157195279 /nfs/dbraw/zinc/19/52/79/157195279.db2.gz LHASXHFVUXXMRA-OAHLLOKOSA-N 2 2 328.420 1.437 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000374423517 157286238 /nfs/dbraw/zinc/28/62/38/157286238.db2.gz WHQBDXHRHLVIRA-RYQLBKOJSA-N 2 2 347.459 1.817 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000374423517 157286240 /nfs/dbraw/zinc/28/62/40/157286240.db2.gz WHQBDXHRHLVIRA-RYQLBKOJSA-N 2 2 347.459 1.817 20 0 EDADLP CCCCOC(=O)[C@@H](C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374615317 157345713 /nfs/dbraw/zinc/34/57/13/157345713.db2.gz UHCPFNZWJVBBKJ-JKSUJKDBSA-N 2 2 325.497 1.819 20 0 EDADLP CCCCOC(=O)[C@@H](C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374615317 157345717 /nfs/dbraw/zinc/34/57/17/157345717.db2.gz UHCPFNZWJVBBKJ-JKSUJKDBSA-N 2 2 325.497 1.819 20 0 EDADLP CC(C)OCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374623348 157348220 /nfs/dbraw/zinc/34/82/20/157348220.db2.gz NLGGOSZWBDLKHX-QGZVFWFLSA-N 2 2 325.497 1.819 20 0 EDADLP CC(C)OCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374623348 157348224 /nfs/dbraw/zinc/34/82/24/157348224.db2.gz NLGGOSZWBDLKHX-QGZVFWFLSA-N 2 2 325.497 1.819 20 0 EDADLP Cc1ccc(NC(=O)C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1 ZINC000374726496 157379754 /nfs/dbraw/zinc/37/97/54/157379754.db2.gz OWCODAPOZDIZPV-UHFFFAOYSA-N 2 2 344.459 1.172 20 0 EDADLP Cc1ccc(NC(=O)C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1 ZINC000374726496 157379756 /nfs/dbraw/zinc/37/97/56/157379756.db2.gz OWCODAPOZDIZPV-UHFFFAOYSA-N 2 2 344.459 1.172 20 0 EDADLP COCCCn1nccc1C[NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000374737483 157382811 /nfs/dbraw/zinc/38/28/11/157382811.db2.gz PKXOQAMKFKBJON-WMZOPIPTSA-N 2 2 336.480 1.510 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246090740 286625601 /nfs/dbraw/zinc/62/56/01/286625601.db2.gz WOMKOWQGTNPSQE-DJIMGWMZSA-N 2 2 344.521 1.433 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)n[nH]1 ZINC000575755350 306671203 /nfs/dbraw/zinc/67/12/03/306671203.db2.gz LLXXRHGABASCHH-SFHVURJKSA-N 2 2 342.447 1.744 20 0 EDADLP C[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378366017 158153995 /nfs/dbraw/zinc/15/39/95/158153995.db2.gz AIWGRLVFVMYGOO-CQSZACIVSA-N 2 2 341.459 1.803 20 0 EDADLP C[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378366017 158153999 /nfs/dbraw/zinc/15/39/99/158153999.db2.gz AIWGRLVFVMYGOO-CQSZACIVSA-N 2 2 341.459 1.803 20 0 EDADLP COc1cccc(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000378370298 158155459 /nfs/dbraw/zinc/15/54/59/158155459.db2.gz MLLGOSBWRPPKOJ-MRXNPFEDSA-N 2 2 345.487 1.865 20 0 EDADLP COc1cccc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000378370298 158155461 /nfs/dbraw/zinc/15/54/61/158155461.db2.gz MLLGOSBWRPPKOJ-MRXNPFEDSA-N 2 2 345.487 1.865 20 0 EDADLP CSCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378373131 158156845 /nfs/dbraw/zinc/15/68/45/158156845.db2.gz WWMANZOPFXFDJT-CQSZACIVSA-N 2 2 328.526 1.549 20 0 EDADLP CSCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378373131 158156847 /nfs/dbraw/zinc/15/68/47/158156847.db2.gz WWMANZOPFXFDJT-CQSZACIVSA-N 2 2 328.526 1.549 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC000378382076 158159875 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0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H](O)CC(C)(C)C)CC2)CC1 ZINC000365999788 162366657 /nfs/dbraw/zinc/36/66/57/162366657.db2.gz MIOPNXROVMGUKC-QGZVFWFLSA-N 2 2 339.524 1.848 20 0 EDADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000370079911 287219281 /nfs/dbraw/zinc/21/92/81/287219281.db2.gz CCTLBPPTIBCSRD-IKGGRYGDSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H]1CCC[C@H](CO)[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159098955 225146700 /nfs/dbraw/zinc/14/67/00/225146700.db2.gz NJFPJBTVCXBORR-IAGOWNOFSA-N 2 2 346.475 1.356 20 0 EDADLP C[C@@H]1CCC[C@H](CO)[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159098955 225146701 /nfs/dbraw/zinc/14/67/01/225146701.db2.gz NJFPJBTVCXBORR-IAGOWNOFSA-N 2 2 346.475 1.356 20 0 EDADLP CCn1c(C)nnc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171303869 227005083 /nfs/dbraw/zinc/00/50/83/227005083.db2.gz HLJYYEPKQOYVQG-GASCZTMLSA-N 2 2 335.496 1.928 20 0 EDADLP CCn1c(C)nnc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171303869 227005085 /nfs/dbraw/zinc/00/50/85/227005085.db2.gz HLJYYEPKQOYVQG-GASCZTMLSA-N 2 2 335.496 1.928 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000123099975 222215883 /nfs/dbraw/zinc/21/58/83/222215883.db2.gz VJGSARCXAAOHED-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000123421148 222274584 /nfs/dbraw/zinc/27/45/84/222274584.db2.gz ZWZAGWZLHQSPSZ-GDBMZVCRSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000123421148 222274587 /nfs/dbraw/zinc/27/45/87/222274587.db2.gz ZWZAGWZLHQSPSZ-GDBMZVCRSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000123421148 222274591 /nfs/dbraw/zinc/27/45/91/222274591.db2.gz ZWZAGWZLHQSPSZ-GDBMZVCRSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000123421148 222274595 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C[NH+]1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000275486564 268350071 /nfs/dbraw/zinc/35/00/71/268350071.db2.gz RQEVQAZTVMSTPY-QGZVFWFLSA-N 2 2 332.448 1.017 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](CCO)C3CCC3)CC2)c1 ZINC000275829788 268375696 /nfs/dbraw/zinc/37/56/96/268375696.db2.gz LRWOEXSXCIZXBX-UHFFFAOYSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](CCO)C3CCC3)CC2)c1 ZINC000275829788 268375697 /nfs/dbraw/zinc/37/56/97/268375697.db2.gz LRWOEXSXCIZXBX-UHFFFAOYSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000278881197 268756823 /nfs/dbraw/zinc/75/68/23/268756823.db2.gz COVJLFGFFHCNCS-HOTGVXAUSA-N 2 2 342.447 1.825 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000274198071 273077059 /nfs/dbraw/zinc/07/70/59/273077059.db2.gz PULCMGSVUVEOSA-GDBMZVCRSA-N 2 2 327.432 1.740 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000274198071 273077060 /nfs/dbraw/zinc/07/70/60/273077060.db2.gz PULCMGSVUVEOSA-GDBMZVCRSA-N 2 2 327.432 1.740 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](CO)c3cnn(C)c3)c2cc1C ZINC000275242895 273109361 /nfs/dbraw/zinc/10/93/61/273109361.db2.gz XIOBBTIPVXYQFU-WBVHZDCISA-N 2 2 343.431 1.071 20 0 EDADLP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCc1[nH]cc[nH+]1 ZINC000174765889 272936121 /nfs/dbraw/zinc/93/61/21/272936121.db2.gz QGXBORJHJZQPDF-UHFFFAOYSA-N 2 2 327.432 1.281 20 0 EDADLP CC(C)OCC[NH+]1CCC(Nc2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000276291072 273157936 /nfs/dbraw/zinc/15/79/36/273157936.db2.gz QBFMHRQOBAYNLX-UHFFFAOYSA-N 2 2 333.440 1.247 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000276976126 273173895 /nfs/dbraw/zinc/17/38/95/273173895.db2.gz RMWDHNAFMDSMLW-MRXNPFEDSA-N 2 2 327.432 1.302 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000276976126 273173897 /nfs/dbraw/zinc/17/38/97/273173897.db2.gz RMWDHNAFMDSMLW-MRXNPFEDSA-N 2 2 327.432 1.302 20 0 EDADLP O=CN1CCC([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000278170870 273251622 /nfs/dbraw/zinc/25/16/22/273251622.db2.gz CKNKPWSPCZMOCP-UHFFFAOYSA-N 2 2 330.476 1.409 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284215959 274120103 /nfs/dbraw/zinc/12/01/03/274120103.db2.gz ZTYUSWAONQREAM-FUHWJXTLSA-N 2 2 341.459 1.840 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284215959 274120104 /nfs/dbraw/zinc/12/01/04/274120104.db2.gz ZTYUSWAONQREAM-FUHWJXTLSA-N 2 2 341.459 1.840 20 0 EDADLP CNC(=O)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284266227 274139062 /nfs/dbraw/zinc/13/90/62/274139062.db2.gz XEALZWAXOHMFSF-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284266227 274139063 /nfs/dbraw/zinc/13/90/63/274139063.db2.gz XEALZWAXOHMFSF-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000352472770 274180996 /nfs/dbraw/zinc/18/09/96/274180996.db2.gz JYLUCIFLLJRAIO-CWRNSKLLSA-N 2 2 334.489 1.484 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000284813140 274342604 /nfs/dbraw/zinc/34/26/04/274342604.db2.gz LRCMMSFRHAEBBR-OAHLLOKOSA-N 2 2 347.463 1.452 20 0 EDADLP CC(C)c1nnc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000367624197 276073567 /nfs/dbraw/zinc/07/35/67/276073567.db2.gz TZWLHEOVSGPKNW-MRXNPFEDSA-N 2 2 334.512 1.539 20 0 EDADLP CC(C)c1nnc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000367624197 276073568 /nfs/dbraw/zinc/07/35/68/276073568.db2.gz TZWLHEOVSGPKNW-MRXNPFEDSA-N 2 2 334.512 1.539 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)[NH+]1CCOCC1 ZINC000364696185 276212759 /nfs/dbraw/zinc/21/27/59/276212759.db2.gz LCQIFYCDGLABJG-SJLPKXTDSA-N 2 2 348.491 1.760 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1CC ZINC000354385087 276320220 /nfs/dbraw/zinc/32/02/20/276320220.db2.gz BDJUXCMQSQFEFZ-HZPDHXFCSA-N 2 2 334.464 1.720 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1CC ZINC000354385087 276320222 /nfs/dbraw/zinc/32/02/22/276320222.db2.gz BDJUXCMQSQFEFZ-HZPDHXFCSA-N 2 2 334.464 1.720 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000417828221 277022753 /nfs/dbraw/zinc/02/27/53/277022753.db2.gz ONECVVSRYHTKAS-CQSZACIVSA-N 2 2 340.493 1.339 20 0 EDADLP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)C[NH+]1CCOCC1 ZINC000286146522 287946538 /nfs/dbraw/zinc/94/65/38/287946538.db2.gz PGCBNBRYPDNDDV-ZIAGYGMSSA-N 2 2 333.432 1.636 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC000367956320 277531090 /nfs/dbraw/zinc/53/10/90/277531090.db2.gz MQAGPUVXZYTFEC-IIAWOOMASA-N 2 2 334.464 1.322 20 0 EDADLP COc1cccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422904989 278016846 /nfs/dbraw/zinc/01/68/46/278016846.db2.gz RHOMTJORCLJPBR-UIAACRFSSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000186967708 278399721 /nfs/dbraw/zinc/39/97/21/278399721.db2.gz XAOHJKACTDGOOA-LSDHHAIUSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000186967708 278399722 /nfs/dbraw/zinc/39/97/22/278399722.db2.gz XAOHJKACTDGOOA-LSDHHAIUSA-N 2 2 328.416 1.399 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000357633794 279131722 /nfs/dbraw/zinc/13/17/22/279131722.db2.gz MTALIQCXMTZKQO-NVXWUHKLSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000357633794 279131723 /nfs/dbraw/zinc/13/17/23/279131723.db2.gz MTALIQCXMTZKQO-NVXWUHKLSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000415110007 279180750 /nfs/dbraw/zinc/18/07/50/279180750.db2.gz PTLPGILTBSJODC-ROUUACIJSA-N 2 2 333.476 1.420 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351619875 280170772 /nfs/dbraw/zinc/17/07/72/280170772.db2.gz LUSOJKSWHDRVCS-BRWVUGGUSA-N 2 2 325.497 1.722 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000341546474 280250696 /nfs/dbraw/zinc/25/06/96/280250696.db2.gz IDMKEZYGURRERI-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000341546474 280250697 /nfs/dbraw/zinc/25/06/97/280250697.db2.gz IDMKEZYGURRERI-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341546474 280250698 /nfs/dbraw/zinc/25/06/98/280250698.db2.gz IDMKEZYGURRERI-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341546474 280250699 /nfs/dbraw/zinc/25/06/99/280250699.db2.gz IDMKEZYGURRERI-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H](C)O1 ZINC000373872014 288219422 /nfs/dbraw/zinc/21/94/22/288219422.db2.gz RKMWOWCPGPSCDH-HBUWYVDXSA-N 2 2 335.423 1.936 20 0 EDADLP O=C1[C@@H]([NH2+][C@H]2CCCc3occc32)CCCN1CC[NH+]1CCOCC1 ZINC000370080542 280315140 /nfs/dbraw/zinc/31/51/40/280315140.db2.gz GCCVBPDOBHOPAO-IRXDYDNUSA-N 2 2 347.459 1.570 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000353465338 280572919 /nfs/dbraw/zinc/57/29/19/280572919.db2.gz DOIRSWXDYOESQF-GBESFXJTSA-N 2 2 345.487 1.873 20 0 EDADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000659983605 452890477 /nfs/dbraw/zinc/89/04/77/452890477.db2.gz QVODQJQCNYGWSM-UHFFFAOYSA-N 2 2 325.478 1.511 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000659983605 452890484 /nfs/dbraw/zinc/89/04/84/452890484.db2.gz QVODQJQCNYGWSM-UHFFFAOYSA-N 2 2 325.478 1.511 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289826237 288786302 /nfs/dbraw/zinc/78/63/02/288786302.db2.gz BAUUNNRINQTLJH-NVXWUHKLSA-N 2 2 329.444 1.200 20 0 EDADLP C[C@@H]1[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CCC[N@@H+]1C ZINC000345296514 289058215 /nfs/dbraw/zinc/05/82/15/289058215.db2.gz PSNLMDXYPVARMC-ATZDWAIDSA-N 2 2 345.487 1.783 20 0 EDADLP C[C@@H]1[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CCC[N@H+]1C ZINC000345296514 289058217 /nfs/dbraw/zinc/05/82/17/289058217.db2.gz PSNLMDXYPVARMC-ATZDWAIDSA-N 2 2 345.487 1.783 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000291930574 289218279 /nfs/dbraw/zinc/21/82/79/289218279.db2.gz LZCJTKXUKSFCQW-UHFFFAOYSA-N 2 2 343.475 1.917 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CCCC2)no1 ZINC000444165850 289226731 /nfs/dbraw/zinc/22/67/31/289226731.db2.gz ZMTHSOQETHVLIP-MLGOLLRUSA-N 2 2 333.436 1.016 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000291965614 289227570 /nfs/dbraw/zinc/22/75/70/289227570.db2.gz VHKCATCTIHVUGP-YLJYHZDGSA-N 2 2 345.487 1.175 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000291965614 289227574 /nfs/dbraw/zinc/22/75/74/289227574.db2.gz VHKCATCTIHVUGP-YLJYHZDGSA-N 2 2 345.487 1.175 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292043975 289246908 /nfs/dbraw/zinc/24/69/08/289246908.db2.gz AXHVYTIWELRVHE-GOSISDBHSA-N 2 2 346.431 1.371 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292043975 289246909 /nfs/dbraw/zinc/24/69/09/289246909.db2.gz AXHVYTIWELRVHE-GOSISDBHSA-N 2 2 346.431 1.371 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292043975 289246911 /nfs/dbraw/zinc/24/69/11/289246911.db2.gz AXHVYTIWELRVHE-GOSISDBHSA-N 2 2 346.431 1.371 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292043975 289246913 /nfs/dbraw/zinc/24/69/13/289246913.db2.gz AXHVYTIWELRVHE-GOSISDBHSA-N 2 2 346.431 1.371 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292050451 289249226 /nfs/dbraw/zinc/24/92/26/289249226.db2.gz BMAIWJLYYNUODI-AZUAARDMSA-N 3 2 344.503 1.433 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292050451 289249228 /nfs/dbraw/zinc/24/92/28/289249228.db2.gz BMAIWJLYYNUODI-AZUAARDMSA-N 3 2 344.503 1.433 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292050451 289249229 /nfs/dbraw/zinc/24/92/29/289249229.db2.gz BMAIWJLYYNUODI-AZUAARDMSA-N 3 2 344.503 1.433 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292065789 289253263 /nfs/dbraw/zinc/25/32/63/289253263.db2.gz CYXIGZCBAFXSAD-SFHVURJKSA-N 2 2 331.416 1.059 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292065789 289253264 /nfs/dbraw/zinc/25/32/64/289253264.db2.gz CYXIGZCBAFXSAD-SFHVURJKSA-N 2 2 331.416 1.059 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292065789 289253266 /nfs/dbraw/zinc/25/32/66/289253266.db2.gz CYXIGZCBAFXSAD-SFHVURJKSA-N 2 2 331.416 1.059 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292065789 289253267 /nfs/dbraw/zinc/25/32/67/289253267.db2.gz CYXIGZCBAFXSAD-SFHVURJKSA-N 2 2 331.416 1.059 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@H](C)CO ZINC000292094567 289259609 /nfs/dbraw/zinc/25/96/09/289259609.db2.gz FTTUMAQWKDBVIT-QGZVFWFLSA-N 2 2 333.476 1.342 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@H](C)CO ZINC000292094567 289259612 /nfs/dbraw/zinc/25/96/12/289259612.db2.gz FTTUMAQWKDBVIT-QGZVFWFLSA-N 2 2 333.476 1.342 20 0 EDADLP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCn2c[nH+]cc2C1 ZINC000292149974 289273661 /nfs/dbraw/zinc/27/36/61/289273661.db2.gz VFMXBBUWTREWEC-UHFFFAOYSA-N 2 2 339.443 1.438 20 0 EDADLP CO[C@@]1(C)CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000366484392 294131295 /nfs/dbraw/zinc/13/12/95/294131295.db2.gz IYCFZJXRNKZXDE-SFHVURJKSA-N 2 2 341.496 1.104 20 0 EDADLP CO[C@@]1(C)CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000366484392 294131296 /nfs/dbraw/zinc/13/12/96/294131296.db2.gz IYCFZJXRNKZXDE-SFHVURJKSA-N 2 2 341.496 1.104 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000269223561 294412422 /nfs/dbraw/zinc/41/24/22/294412422.db2.gz AXRCCEHPKMMIOO-WBVHZDCISA-N 2 2 346.406 1.533 20 0 EDADLP CC[C@H]1CC[C@@H](C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)O1 ZINC000422012005 447307559 /nfs/dbraw/zinc/30/75/59/447307559.db2.gz DHZPVXJPUMLIMD-ROUUACIJSA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@H]1CC[C@@H](C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)O1 ZINC000422012005 447307564 /nfs/dbraw/zinc/30/75/64/447307564.db2.gz DHZPVXJPUMLIMD-ROUUACIJSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000660161938 453094685 /nfs/dbraw/zinc/09/46/85/453094685.db2.gz QWISRQXMJWAVQJ-MRXNPFEDSA-N 2 2 327.513 1.752 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000660161938 453094693 /nfs/dbraw/zinc/09/46/93/453094693.db2.gz QWISRQXMJWAVQJ-MRXNPFEDSA-N 2 2 327.513 1.752 20 0 EDADLP CN(C)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(C(F)(F)F)c1 ZINC000653111153 453297912 /nfs/dbraw/zinc/29/79/12/453297912.db2.gz GJDCDIXUWCXXGP-LBPRGKRZSA-N 2 2 332.370 1.989 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/c3ccnn3C)CC2)CC1 ZINC000493400595 447319448 /nfs/dbraw/zinc/31/94/48/447319448.db2.gz LHJFIPJJWOWCTP-AATRIKPKSA-N 2 2 345.491 1.452 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/c3ccnn3C)CC2)CC1 ZINC000493400595 447319459 /nfs/dbraw/zinc/31/94/59/447319459.db2.gz LHJFIPJJWOWCTP-AATRIKPKSA-N 2 2 345.491 1.452 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000414752541 447321957 /nfs/dbraw/zinc/32/19/57/447321957.db2.gz UOYRWBMDDCPCED-UHFFFAOYSA-N 3 2 340.556 1.791 20 0 EDADLP C[C@@H](O)CNc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000294256916 303083804 /nfs/dbraw/zinc/08/38/04/303083804.db2.gz FEAYOEFSLNSONR-ZBFHGGJFSA-N 2 2 327.432 1.956 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CCCn2cc(CO)nn2)CCC[N@@H+]1Cc1ccccc1 ZINC000294301834 303089222 /nfs/dbraw/zinc/08/92/22/303089222.db2.gz NJQJPTSDNJOODD-APWZRJJASA-N 2 2 343.475 1.803 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CCCn2cc(CO)nn2)CCC[N@H+]1Cc1ccccc1 ZINC000294301834 303089225 /nfs/dbraw/zinc/08/92/25/303089225.db2.gz NJQJPTSDNJOODD-APWZRJJASA-N 2 2 343.475 1.803 20 0 EDADLP O=C(CC[NH+]1CCC(CF)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000295083079 303171605 /nfs/dbraw/zinc/17/16/05/303171605.db2.gz FFNRTBMRDZRVDB-UHFFFAOYSA-N 2 2 334.439 1.802 20 0 EDADLP COc1nccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000295586065 303238091 /nfs/dbraw/zinc/23/80/91/303238091.db2.gz DWTRTKADZINJLH-AEFFLSMTSA-N 2 2 342.443 1.458 20 0 EDADLP COc1nccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000295586069 303238139 /nfs/dbraw/zinc/23/81/39/303238139.db2.gz DWTRTKADZINJLH-FUHWJXTLSA-N 2 2 342.443 1.458 20 0 EDADLP CSC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000296028970 303290098 /nfs/dbraw/zinc/29/00/98/303290098.db2.gz RXCRUETZULECAV-GJZGRUSLSA-N 2 2 337.489 1.859 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cn[nH]c1 ZINC000296080855 303294486 /nfs/dbraw/zinc/29/44/86/303294486.db2.gz SNJZOOSUBLWEMJ-HNNXBMFYSA-N 2 2 330.432 1.972 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000297395574 303394330 /nfs/dbraw/zinc/39/43/30/303394330.db2.gz JXHCINCGYOVNSL-UHFFFAOYSA-N 2 2 347.463 1.002 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414863560 447333265 /nfs/dbraw/zinc/33/32/65/447333265.db2.gz AVJBNUCIPRUXLA-WBMJQRKESA-N 2 2 330.432 1.704 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[C@@H]([NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000301237628 303667928 /nfs/dbraw/zinc/66/79/28/303667928.db2.gz IJXOHFGTSVVPMR-DLBZAZTESA-N 2 2 345.491 1.750 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390884381 303850112 /nfs/dbraw/zinc/85/01/12/303850112.db2.gz VDODGLIGALKYCA-UYAOXDASSA-N 3 2 346.519 1.161 20 0 EDADLP CC(C)C(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420910283 304782885 /nfs/dbraw/zinc/78/28/85/304782885.db2.gz ZQUXZFWZKRMCKI-UHFFFAOYSA-N 2 2 345.487 1.819 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423434468 304896207 /nfs/dbraw/zinc/89/62/07/304896207.db2.gz YBZGPQUYIUWCBZ-OAHLLOKOSA-N 2 2 349.479 1.060 20 0 EDADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000423827874 304910887 /nfs/dbraw/zinc/91/08/87/304910887.db2.gz QNMWVLMIXBSJSF-GOEBONIOSA-N 2 2 342.443 1.485 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000428035349 305004678 /nfs/dbraw/zinc/00/46/78/305004678.db2.gz FIDRCZPLIIFUQD-XJKSGUPXSA-N 2 2 337.851 1.519 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000428035349 305004679 /nfs/dbraw/zinc/00/46/79/305004679.db2.gz FIDRCZPLIIFUQD-XJKSGUPXSA-N 2 2 337.851 1.519 20 0 EDADLP [NH3+]C[C@H]1CCCCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000428034538 305004705 /nfs/dbraw/zinc/00/47/05/305004705.db2.gz SKHIFFYMQPDQET-CQSZACIVSA-N 2 2 337.493 1.491 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000428040354 305005034 /nfs/dbraw/zinc/00/50/34/305005034.db2.gz JYJJMDYRAFTOIW-AEFFLSMTSA-N 2 2 330.476 1.313 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000428040354 305005035 /nfs/dbraw/zinc/00/50/35/305005035.db2.gz JYJJMDYRAFTOIW-AEFFLSMTSA-N 2 2 330.476 1.313 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CC(F)(F)C3)CC2)CC1 ZINC000428559023 305011824 /nfs/dbraw/zinc/01/18/24/305011824.db2.gz MRFBOPKXWDZIIZ-UHFFFAOYSA-N 2 2 330.423 1.642 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000430576243 305056819 /nfs/dbraw/zinc/05/68/19/305056819.db2.gz WHSRRBYNJZLHMA-SFHVURJKSA-N 2 2 332.448 1.713 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430581802 305057028 /nfs/dbraw/zinc/05/70/28/305057028.db2.gz PFKIJFIUQXHYJR-QLFBSQMISA-N 2 2 349.475 1.940 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430581802 305057029 /nfs/dbraw/zinc/05/70/29/305057029.db2.gz PFKIJFIUQXHYJR-QLFBSQMISA-N 2 2 349.475 1.940 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(OC)c(OC)c2)C1 ZINC000430600623 305057918 /nfs/dbraw/zinc/05/79/18/305057918.db2.gz BMVRNZRRICCPHG-INIZCTEOSA-N 2 2 349.475 1.294 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(OC)c(OC)c2)C1 ZINC000430600623 305057919 /nfs/dbraw/zinc/05/79/19/305057919.db2.gz BMVRNZRRICCPHG-INIZCTEOSA-N 2 2 349.475 1.294 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000430603730 305058116 /nfs/dbraw/zinc/05/81/16/305058116.db2.gz LASIDHHOFYZFOS-CABCVRRESA-N 2 2 349.475 1.942 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000430603730 305058117 /nfs/dbraw/zinc/05/81/17/305058117.db2.gz LASIDHHOFYZFOS-CABCVRRESA-N 2 2 349.475 1.942 20 0 EDADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430649436 305061105 /nfs/dbraw/zinc/06/11/05/305061105.db2.gz IMTSJBMHAJKEQK-QGZVFWFLSA-N 2 2 344.459 1.955 20 0 EDADLP [NH3+]C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430649436 305061106 /nfs/dbraw/zinc/06/11/06/305061106.db2.gz IMTSJBMHAJKEQK-QGZVFWFLSA-N 2 2 344.459 1.955 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430921880 305068314 /nfs/dbraw/zinc/06/83/14/305068314.db2.gz VLXGQPKPCFBVPZ-MAUKXSAKSA-N 2 2 333.476 1.899 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430921880 305068315 /nfs/dbraw/zinc/06/83/15/305068315.db2.gz VLXGQPKPCFBVPZ-MAUKXSAKSA-N 2 2 333.476 1.899 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000430923838 305068476 /nfs/dbraw/zinc/06/84/76/305068476.db2.gz GQNARJKEHBAJAL-CABCVRRESA-N 2 2 344.459 1.682 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000430923838 305068477 /nfs/dbraw/zinc/06/84/77/305068477.db2.gz GQNARJKEHBAJAL-CABCVRRESA-N 2 2 344.459 1.682 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430928111 305068637 /nfs/dbraw/zinc/06/86/37/305068637.db2.gz SKNZFBIINGREEP-AWEZNQCLSA-N 2 2 326.462 1.400 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430928111 305068638 /nfs/dbraw/zinc/06/86/38/305068638.db2.gz SKNZFBIINGREEP-AWEZNQCLSA-N 2 2 326.462 1.400 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430934903 305069131 /nfs/dbraw/zinc/06/91/31/305069131.db2.gz RGWLGBMGWCPVOO-GOEBONIOSA-N 2 2 347.459 1.046 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430934903 305069132 /nfs/dbraw/zinc/06/91/32/305069132.db2.gz RGWLGBMGWCPVOO-GOEBONIOSA-N 2 2 347.459 1.046 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000430936580 305069270 /nfs/dbraw/zinc/06/92/70/305069270.db2.gz UZIYDSOOHSAJEE-JTQLQIEISA-N 2 2 333.329 1.741 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000430936580 305069271 /nfs/dbraw/zinc/06/92/71/305069271.db2.gz UZIYDSOOHSAJEE-JTQLQIEISA-N 2 2 333.329 1.741 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430967415 305071635 /nfs/dbraw/zinc/07/16/35/305071635.db2.gz SSGWYHMWTPZDEL-CABCVRRESA-N 2 2 346.475 1.776 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430967415 305071636 /nfs/dbraw/zinc/07/16/36/305071636.db2.gz SSGWYHMWTPZDEL-CABCVRRESA-N 2 2 346.475 1.776 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000432261436 305089912 /nfs/dbraw/zinc/08/99/12/305089912.db2.gz CGXGKQRACLOBES-UHFFFAOYSA-N 2 2 327.388 1.570 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000434987272 305133816 /nfs/dbraw/zinc/13/38/16/305133816.db2.gz MDUXAJPAZTUFFX-MRXNPFEDSA-N 2 2 340.427 1.709 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435239939 305137747 /nfs/dbraw/zinc/13/77/47/305137747.db2.gz YQFUYTBGANRXRU-GOSISDBHSA-N 2 2 329.444 1.485 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H]1CCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559828 305142290 /nfs/dbraw/zinc/14/22/90/305142290.db2.gz JVGHTRGCVHAJII-JKSUJKDBSA-N 2 2 346.475 1.800 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000435987455 305150578 /nfs/dbraw/zinc/15/05/78/305150578.db2.gz YAUFNIARKDPBEH-HOTGVXAUSA-N 2 2 331.464 1.347 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000435987455 305150579 /nfs/dbraw/zinc/15/05/79/305150579.db2.gz YAUFNIARKDPBEH-HOTGVXAUSA-N 2 2 331.464 1.347 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000436453456 305157436 /nfs/dbraw/zinc/15/74/36/305157436.db2.gz DXVLPXAITZNQQE-HOTGVXAUSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000436453456 305157437 /nfs/dbraw/zinc/15/74/37/305157437.db2.gz DXVLPXAITZNQQE-HOTGVXAUSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000436453456 305157438 /nfs/dbraw/zinc/15/74/38/305157438.db2.gz DXVLPXAITZNQQE-HOTGVXAUSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000436453456 305157439 /nfs/dbraw/zinc/15/74/39/305157439.db2.gz DXVLPXAITZNQQE-HOTGVXAUSA-N 2 2 347.507 1.994 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000442849998 305230087 /nfs/dbraw/zinc/23/00/87/305230087.db2.gz OTCYTNXTCYFSLY-GUYCJALGSA-N 2 2 327.469 1.249 20 0 EDADLP CCN1C[C@@H](C)[N@H+](C[C@H](O)CN2C[C@@H](C)[NH+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316137 305278208 /nfs/dbraw/zinc/27/82/08/305278208.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@@H](C)[N@@H+](C[C@H](O)CN2C[C@@H](C)[NH+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316137 305278209 /nfs/dbraw/zinc/27/82/09/305278209.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@@H](C)[NH+](C[C@H](O)CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316137 305278210 /nfs/dbraw/zinc/27/82/10/305278210.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@@H](C)[NH+](C[C@H](O)CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316137 305278211 /nfs/dbraw/zinc/27/82/11/305278211.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[N@H+](C[C@@H](O)CN2C[C@H](C)[NH+](CC)C[C@H]2C)C[C@H]1C ZINC000447316137 305278212 /nfs/dbraw/zinc/27/82/12/305278212.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[N@@H+](C[C@@H](O)CN2C[C@H](C)[NH+](CC)C[C@H]2C)C[C@H]1C ZINC000447316137 305278213 /nfs/dbraw/zinc/27/82/13/305278213.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[NH+](C[C@@H](O)CN2C[C@H](C)[N@H+](CC)C[C@H]2C)C[C@H]1C ZINC000447316137 305278214 /nfs/dbraw/zinc/27/82/14/305278214.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[NH+](C[C@@H](O)CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)C[C@H]1C ZINC000447316137 305278215 /nfs/dbraw/zinc/27/82/15/305278215.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 2 340.556 1.176 20 0 EDADLP CC(C)[C@H](C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)[NH+](C)C ZINC000447668965 305284062 /nfs/dbraw/zinc/28/40/62/305284062.db2.gz DPUJCIASKDVUAH-QGZVFWFLSA-N 2 2 332.448 1.055 20 0 EDADLP CC(C)[C@H](C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)[NH+](C)C ZINC000447668965 305284063 /nfs/dbraw/zinc/28/40/63/305284063.db2.gz DPUJCIASKDVUAH-QGZVFWFLSA-N 2 2 332.448 1.055 20 0 EDADLP CC[C@@H](C[NH2+][C@H](C)COCC(=O)OC)[N@@H+]1CCc2ccccc2C1 ZINC000449078130 305305909 /nfs/dbraw/zinc/30/59/09/305305909.db2.gz ZXALMGKOFVYCOQ-QAPCUYQASA-N 2 2 334.460 1.991 20 0 EDADLP CC[C@@H](C[NH2+][C@H](C)COCC(=O)OC)[N@H+]1CCc2ccccc2C1 ZINC000449078130 305305910 /nfs/dbraw/zinc/30/59/10/305305910.db2.gz ZXALMGKOFVYCOQ-QAPCUYQASA-N 2 2 334.460 1.991 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000449346722 305312036 /nfs/dbraw/zinc/31/20/36/305312036.db2.gz CNNHRYSPXNWAKR-MGPQQGTHSA-N 2 2 337.414 1.901 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000449346722 305312037 /nfs/dbraw/zinc/31/20/37/305312037.db2.gz CNNHRYSPXNWAKR-MGPQQGTHSA-N 2 2 337.414 1.901 20 0 EDADLP CC(C)Oc1ccc2[nH+]ccc(N3CC[NH+](CC(N)=O)CC3)c2c1 ZINC000450236179 305327927 /nfs/dbraw/zinc/32/79/27/305327927.db2.gz ZGQMRYLWQPDFPU-UHFFFAOYSA-N 2 2 328.416 1.629 20 0 EDADLP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000450383363 305329492 /nfs/dbraw/zinc/32/94/92/305329492.db2.gz ZPKRNIVMZNGQNV-SJLPKXTDSA-N 2 2 328.460 1.702 20 0 EDADLP CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000451563637 305353771 /nfs/dbraw/zinc/35/37/71/305353771.db2.gz JWHCWZZLYRLRFY-BRWVUGGUSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@@H+](C2CC2)C1 ZINC000452173846 305385722 /nfs/dbraw/zinc/38/57/22/305385722.db2.gz OCMJCHOCFIVWDR-YJBOKZPZSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+](C2CC2)C1 ZINC000452173846 305385723 /nfs/dbraw/zinc/38/57/23/305385723.db2.gz OCMJCHOCFIVWDR-YJBOKZPZSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+](C2CC2)C1 ZINC000452173846 305385724 /nfs/dbraw/zinc/38/57/24/305385724.db2.gz OCMJCHOCFIVWDR-YJBOKZPZSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+](C2CC2)C1 ZINC000452173846 305385725 /nfs/dbraw/zinc/38/57/25/305385725.db2.gz OCMJCHOCFIVWDR-YJBOKZPZSA-N 2 2 335.492 1.573 20 0 EDADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc(Cl)c1OCC(N)=O ZINC000414909696 447353137 /nfs/dbraw/zinc/35/31/37/447353137.db2.gz CEKGCMADAHIMNP-GXFFZTMASA-N 2 2 341.839 1.300 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)CC2 ZINC000520821025 305783397 /nfs/dbraw/zinc/78/33/97/305783397.db2.gz LQQTVBKVHJNZEK-WMZOPIPTSA-N 2 2 348.491 1.617 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000530222137 305934766 /nfs/dbraw/zinc/93/47/66/305934766.db2.gz QITDOPWIFGIPRI-CJNGLKHVSA-N 2 2 337.489 1.872 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNc2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000538086500 306030089 /nfs/dbraw/zinc/03/00/89/306030089.db2.gz IPTIGPLQEJTJKV-CQSZACIVSA-N 2 2 329.448 1.022 20 0 EDADLP CCC[N@H+]1CC[C@H](CNc2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000538086500 306030090 /nfs/dbraw/zinc/03/00/90/306030090.db2.gz IPTIGPLQEJTJKV-CQSZACIVSA-N 2 2 329.448 1.022 20 0 EDADLP C[C@@H](CCNc1nc(NCCO)c2ccccc2[nH+]1)[NH+]1CCCCC1 ZINC000544138064 306072992 /nfs/dbraw/zinc/07/29/92/306072992.db2.gz IWCMTZOFNZKQRH-HNNXBMFYSA-N 2 2 343.475 1.554 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000547630486 306105814 /nfs/dbraw/zinc/10/58/14/306105814.db2.gz IHEXEHSSJUGRIG-HZPDHXFCSA-N 2 2 333.480 1.865 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000547630486 306105815 /nfs/dbraw/zinc/10/58/15/306105815.db2.gz IHEXEHSSJUGRIG-HZPDHXFCSA-N 2 2 333.480 1.865 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000548075994 306119572 /nfs/dbraw/zinc/11/95/72/306119572.db2.gz DBWIZAQREJXVGJ-AWEZNQCLSA-N 2 2 328.420 1.513 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000548075994 306119573 /nfs/dbraw/zinc/11/95/73/306119573.db2.gz DBWIZAQREJXVGJ-AWEZNQCLSA-N 2 2 328.420 1.513 20 0 EDADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000551006370 306155316 /nfs/dbraw/zinc/15/53/16/306155316.db2.gz RWBYDXOMPBJTHO-WMLDXEAASA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000551006370 306155317 /nfs/dbraw/zinc/15/53/17/306155317.db2.gz RWBYDXOMPBJTHO-WMLDXEAASA-N 2 2 337.489 1.785 20 0 EDADLP C[NH+](C)CCCCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000552118415 306175379 /nfs/dbraw/zinc/17/53/79/306175379.db2.gz HDUYGLVROAHJEM-GOSISDBHSA-N 2 2 333.476 1.908 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)[C@H](C[NH3+])C1 ZINC000556947662 306221665 /nfs/dbraw/zinc/22/16/65/306221665.db2.gz PRKREXQTXCHVCW-MRXNPFEDSA-N 2 2 328.420 1.038 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)[C@H](C[NH3+])C1 ZINC000556947662 306221666 /nfs/dbraw/zinc/22/16/66/306221666.db2.gz PRKREXQTXCHVCW-MRXNPFEDSA-N 2 2 328.420 1.038 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000556978695 306222457 /nfs/dbraw/zinc/22/24/57/306222457.db2.gz TUPNHAIKJWQPCP-SNVBAGLBSA-N 2 2 345.216 1.695 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000556978695 306222458 /nfs/dbraw/zinc/22/24/58/306222458.db2.gz TUPNHAIKJWQPCP-SNVBAGLBSA-N 2 2 345.216 1.695 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000557213603 306226484 /nfs/dbraw/zinc/22/64/84/306226484.db2.gz FQUVJFXHJXZSGT-CVEARBPZSA-N 2 2 342.447 1.498 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)[NH+]1CC(C)C1 ZINC000557563263 306229369 /nfs/dbraw/zinc/22/93/69/306229369.db2.gz KIQVVUPKZFVXHS-YOEHRIQHSA-N 2 2 344.459 1.415 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)[NH+]1CC(C)C1 ZINC000557563263 306229370 /nfs/dbraw/zinc/22/93/70/306229370.db2.gz KIQVVUPKZFVXHS-YOEHRIQHSA-N 2 2 344.459 1.415 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414959466 447373786 /nfs/dbraw/zinc/37/37/86/447373786.db2.gz FQNBLBZQNMFZBZ-GOSISDBHSA-N 2 2 326.444 1.654 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000414962740 447375086 /nfs/dbraw/zinc/37/50/86/447375086.db2.gz KCCAHKXATYZHGM-LLVKDONJSA-N 2 2 329.347 1.010 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCCC[NH+](C(C)C)C(C)C)CCO1 ZINC000426019194 447379757 /nfs/dbraw/zinc/37/97/57/447379757.db2.gz RUABEEVXJPEARR-KRWDZBQOSA-N 2 2 342.528 1.905 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+](C(C)C)C(C)C)CCO1 ZINC000426019194 447379761 /nfs/dbraw/zinc/37/97/61/447379761.db2.gz RUABEEVXJPEARR-KRWDZBQOSA-N 2 2 342.528 1.905 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000414970681 447380650 /nfs/dbraw/zinc/38/06/50/447380650.db2.gz HSZGCDPEVSCVCL-CJNGLKHVSA-N 2 2 341.415 1.390 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414980750 447382799 /nfs/dbraw/zinc/38/27/99/447382799.db2.gz WOVCTNWXIQMIHQ-NXEWRWPSSA-N 3 2 328.504 1.675 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414980750 447382803 /nfs/dbraw/zinc/38/28/03/447382803.db2.gz WOVCTNWXIQMIHQ-NXEWRWPSSA-N 3 2 328.504 1.675 20 0 EDADLP CC(C)C[C@@H](CNC(=O)C1(N2CC[NH+](C)CC2)CCCC1)[NH+](C)C ZINC000377957558 447392252 /nfs/dbraw/zinc/39/22/52/447392252.db2.gz ONUIYUALGHAIHO-KRWDZBQOSA-N 2 2 338.540 1.639 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415421417 447419715 /nfs/dbraw/zinc/41/97/15/447419715.db2.gz XUCUIXPGBNLHFG-CYBMUJFWSA-N 2 2 342.399 1.784 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCOC(C)(C)C2)CC1 ZINC000458581484 447420953 /nfs/dbraw/zinc/42/09/53/447420953.db2.gz GAFXLZIRRFFALZ-HNNXBMFYSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000013694336 441164672 /nfs/dbraw/zinc/16/46/72/441164672.db2.gz RNGVTIRMFJZISO-UHFFFAOYSA-N 2 2 327.432 1.798 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105129242 441236324 /nfs/dbraw/zinc/23/63/24/441236324.db2.gz DQIFYCDEZOWUAN-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](c1ccccc1)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015372133 441201768 /nfs/dbraw/zinc/20/17/68/441201768.db2.gz ZJEOZXFFPARHJX-MRXNPFEDSA-N 2 2 333.476 1.906 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015372133 441201770 /nfs/dbraw/zinc/20/17/70/441201770.db2.gz ZJEOZXFFPARHJX-MRXNPFEDSA-N 2 2 333.476 1.906 20 0 EDADLP C[N@H+](CCNC(=O)NCc1cccnc1-n1cc[nH+]c1)C1CCCC1 ZINC000104781249 441208594 /nfs/dbraw/zinc/20/85/94/441208594.db2.gz OWLQHLDHZNYTBZ-UHFFFAOYSA-N 2 2 342.447 1.941 20 0 EDADLP C[N@@H+](CCNC(=O)NCc1cccnc1-n1cc[nH+]c1)C1CCCC1 ZINC000104781249 441208598 /nfs/dbraw/zinc/20/85/98/441208598.db2.gz OWLQHLDHZNYTBZ-UHFFFAOYSA-N 2 2 342.447 1.941 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)no1 ZINC000080968107 441214023 /nfs/dbraw/zinc/21/40/23/441214023.db2.gz RWSXTJJNOYFTTJ-UHFFFAOYSA-N 2 2 329.404 1.917 20 0 EDADLP Cc1cc(NC(=O)C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)no1 ZINC000080968107 441214024 /nfs/dbraw/zinc/21/40/24/441214024.db2.gz RWSXTJJNOYFTTJ-UHFFFAOYSA-N 2 2 329.404 1.917 20 0 EDADLP CCOC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000060484677 441246289 /nfs/dbraw/zinc/24/62/89/441246289.db2.gz LYRWJJVNYDNZSD-UHFFFAOYSA-N 2 2 346.475 1.621 20 0 EDADLP O=C(C[NH+]1CCSCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000047988306 441246686 /nfs/dbraw/zinc/24/66/86/441246686.db2.gz YOAYGXKYLZEISZ-UHFFFAOYSA-N 2 2 341.521 1.187 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000061472882 441272834 /nfs/dbraw/zinc/27/28/34/441272834.db2.gz CDDJGAXCMFUDIY-UHFFFAOYSA-N 2 2 347.463 1.612 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000061472882 441272838 /nfs/dbraw/zinc/27/28/38/441272838.db2.gz CDDJGAXCMFUDIY-UHFFFAOYSA-N 2 2 347.463 1.612 20 0 EDADLP CC(C)(CNC(=O)C[N@H+](Cc1ccccc1)C1CC1)[NH+]1CCOCC1 ZINC000025747262 441354733 /nfs/dbraw/zinc/35/47/33/441354733.db2.gz GTSLUVZJVXSJET-UHFFFAOYSA-N 2 2 345.487 1.878 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+](Cc1ccccc1)C1CC1)[NH+]1CCOCC1 ZINC000025747262 441354737 /nfs/dbraw/zinc/35/47/37/441354737.db2.gz GTSLUVZJVXSJET-UHFFFAOYSA-N 2 2 345.487 1.878 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4ccoc4)no3)C2)CC1 ZINC000107369269 441412624 /nfs/dbraw/zinc/41/26/24/441412624.db2.gz QROCPWWJWKFELD-HNNXBMFYSA-N 2 2 331.420 1.541 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4ccoc4)no3)C2)CC1 ZINC000107369269 441412625 /nfs/dbraw/zinc/41/26/25/441412625.db2.gz QROCPWWJWKFELD-HNNXBMFYSA-N 2 2 331.420 1.541 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000074389762 441429676 /nfs/dbraw/zinc/42/96/76/441429676.db2.gz CBAIFGOSWMMOOK-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000085388997 441435988 /nfs/dbraw/zinc/43/59/88/441435988.db2.gz YBODXHYEELOVME-HOCLYGCPSA-N 2 2 329.448 1.858 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000085388997 441435992 /nfs/dbraw/zinc/43/59/92/441435992.db2.gz YBODXHYEELOVME-HOCLYGCPSA-N 2 2 329.448 1.858 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000052294748 441446153 /nfs/dbraw/zinc/44/61/53/441446153.db2.gz LMVOGDFDBAEACE-UHFFFAOYSA-N 2 2 339.403 1.580 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000052357000 441447735 /nfs/dbraw/zinc/44/77/35/441447735.db2.gz VYKJUNLFKRHCLO-IYBDPMFKSA-N 2 2 342.443 1.809 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000052357000 441447740 /nfs/dbraw/zinc/44/77/40/441447740.db2.gz VYKJUNLFKRHCLO-IYBDPMFKSA-N 2 2 342.443 1.809 20 0 EDADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000108556010 441464869 /nfs/dbraw/zinc/46/48/69/441464869.db2.gz LEQWUUVBUJAQGU-KRWDZBQOSA-N 2 2 343.475 1.834 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000108556010 441464871 /nfs/dbraw/zinc/46/48/71/441464871.db2.gz LEQWUUVBUJAQGU-KRWDZBQOSA-N 2 2 343.475 1.834 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751119 441504187 /nfs/dbraw/zinc/50/41/87/441504187.db2.gz GGKIVMFSQQYDFL-AEFFLSMTSA-N 2 2 338.540 1.782 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109751119 441504192 /nfs/dbraw/zinc/50/41/92/441504192.db2.gz GGKIVMFSQQYDFL-AEFFLSMTSA-N 2 2 338.540 1.782 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109752531 441504327 /nfs/dbraw/zinc/50/43/27/441504327.db2.gz OBADFSNFXYRHFJ-BZSNNMDCSA-N 2 2 338.540 1.782 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109752531 441504331 /nfs/dbraw/zinc/50/43/31/441504331.db2.gz OBADFSNFXYRHFJ-BZSNNMDCSA-N 2 2 338.540 1.782 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000112914540 441566306 /nfs/dbraw/zinc/56/63/06/441566306.db2.gz ZYKPRXIJGUYFFA-RTBURBONSA-N 2 2 346.519 1.678 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000112914540 441566310 /nfs/dbraw/zinc/56/63/10/441566310.db2.gz ZYKPRXIJGUYFFA-RTBURBONSA-N 2 2 346.519 1.678 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000089926324 441596463 /nfs/dbraw/zinc/59/64/63/441596463.db2.gz ABFWCNDQMBOQEI-INIZCTEOSA-N 2 2 330.432 1.290 20 0 EDADLP CC[N@H+](CCC(=O)NC(=O)NC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108395 441599024 /nfs/dbraw/zinc/59/90/24/441599024.db2.gz RBWKHHAQEVSRBO-UHFFFAOYSA-N 2 2 347.463 1.466 20 0 EDADLP CC[N@@H+](CCC(=O)NC(=O)NC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108395 441599026 /nfs/dbraw/zinc/59/90/26/441599026.db2.gz RBWKHHAQEVSRBO-UHFFFAOYSA-N 2 2 347.463 1.466 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc(C)[nH+]1 ZINC000422279239 447441021 /nfs/dbraw/zinc/44/10/21/447441021.db2.gz RMUAPMJHJKZIOS-MRXNPFEDSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc(C)[nH+]1 ZINC000422279239 447441024 /nfs/dbraw/zinc/44/10/24/447441024.db2.gz RMUAPMJHJKZIOS-MRXNPFEDSA-N 2 2 346.475 1.551 20 0 EDADLP O=C(NCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1)C1CCC1 ZINC000090184167 441625329 /nfs/dbraw/zinc/62/53/29/441625329.db2.gz ACBUVWLFSKVELU-UHFFFAOYSA-N 2 2 330.476 1.942 20 0 EDADLP COc1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)c(OC)c1OC ZINC000076898263 441692755 /nfs/dbraw/zinc/69/27/55/441692755.db2.gz BARKJDPIEDBFAO-CQSZACIVSA-N 2 2 338.448 1.913 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000136966131 441734558 /nfs/dbraw/zinc/73/45/58/441734558.db2.gz YYFJWRFPANRSQO-RDJZCZTQSA-N 2 2 345.491 1.888 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000136966131 441734566 /nfs/dbraw/zinc/73/45/66/441734566.db2.gz YYFJWRFPANRSQO-RDJZCZTQSA-N 2 2 345.491 1.888 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173410104 441738969 /nfs/dbraw/zinc/73/89/69/441738969.db2.gz QFXVEZPSYUOJES-KRWDZBQOSA-N 2 2 338.496 1.225 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173410104 441738976 /nfs/dbraw/zinc/73/89/76/441738976.db2.gz QFXVEZPSYUOJES-KRWDZBQOSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116419339 441820588 /nfs/dbraw/zinc/82/05/88/441820588.db2.gz CRXWTWSCLRNGJD-GJZGRUSLSA-N 2 2 328.501 1.373 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000173640131 441810914 /nfs/dbraw/zinc/81/09/14/441810914.db2.gz MIAOEQCJDZUJCG-GFCCVEGCSA-N 2 2 341.402 1.992 20 0 EDADLP CC[NH+]1CCN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000117057313 441864436 /nfs/dbraw/zinc/86/44/36/441864436.db2.gz JGZHJEKGEGWFOU-UHFFFAOYSA-N 2 2 331.464 1.706 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000139815518 441827635 /nfs/dbraw/zinc/82/76/35/441827635.db2.gz LEAAMGGDEFZTHZ-QAPCUYQASA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139815518 441827643 /nfs/dbraw/zinc/82/76/43/441827643.db2.gz LEAAMGGDEFZTHZ-QAPCUYQASA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139815518 441827646 /nfs/dbraw/zinc/82/76/46/441827646.db2.gz LEAAMGGDEFZTHZ-QAPCUYQASA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139815518 441827653 /nfs/dbraw/zinc/82/76/53/441827653.db2.gz LEAAMGGDEFZTHZ-QAPCUYQASA-N 2 2 344.459 2.000 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000068598116 441829947 /nfs/dbraw/zinc/82/99/47/441829947.db2.gz FLBHRYOKUNBONS-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP CC[C@@H](COC)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119062481 441915257 /nfs/dbraw/zinc/91/52/57/441915257.db2.gz QVIFLICNALPZPA-HOTGVXAUSA-N 2 2 349.479 1.297 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150750544 441943084 /nfs/dbraw/zinc/94/30/84/441943084.db2.gz QFRVRCCFEYCZRM-KRWDZBQOSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150750544 441943091 /nfs/dbraw/zinc/94/30/91/441943091.db2.gz QFRVRCCFEYCZRM-KRWDZBQOSA-N 2 2 325.497 1.583 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(F)c(F)c1 ZINC000174710884 441955584 /nfs/dbraw/zinc/95/55/84/441955584.db2.gz MWYFMBLOMCLSKZ-UHFFFAOYSA-N 2 2 340.418 1.473 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(F)c(F)c1 ZINC000174710884 441955589 /nfs/dbraw/zinc/95/55/89/441955589.db2.gz MWYFMBLOMCLSKZ-UHFFFAOYSA-N 2 2 340.418 1.473 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csnn3)CC2)CC1 ZINC000119995714 441991243 /nfs/dbraw/zinc/99/12/43/441991243.db2.gz GCGXSDRTNNYPFZ-UHFFFAOYSA-N 2 2 337.493 1.304 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCOCC1 ZINC000175001819 441993237 /nfs/dbraw/zinc/99/32/37/441993237.db2.gz ANGVYRGRJYSCGE-DOTOQJQBSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1CCOCC1 ZINC000175001819 441993242 /nfs/dbraw/zinc/99/32/42/441993242.db2.gz ANGVYRGRJYSCGE-DOTOQJQBSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000120235528 442034128 /nfs/dbraw/zinc/03/41/28/442034128.db2.gz XICZMWDYRJVVIA-HOCLYGCPSA-N 2 2 342.447 1.749 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000120235528 442034136 /nfs/dbraw/zinc/03/41/36/442034136.db2.gz XICZMWDYRJVVIA-HOCLYGCPSA-N 2 2 342.447 1.749 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175608085 442092579 /nfs/dbraw/zinc/09/25/79/442092579.db2.gz HPDWFZAQVSJQPT-INIZCTEOSA-N 3 2 339.528 1.186 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(=O)NCc1ccco1 ZINC000161974555 442051778 /nfs/dbraw/zinc/05/17/78/442051778.db2.gz RVSFWZZJNCKNKY-OAHLLOKOSA-N 2 2 342.443 1.934 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000162007608 442055931 /nfs/dbraw/zinc/05/59/31/442055931.db2.gz MXHFRHLZFTXCBK-HKUYNNGSSA-N 3 2 347.503 1.970 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000162007608 442055936 /nfs/dbraw/zinc/05/59/36/442055936.db2.gz MXHFRHLZFTXCBK-HKUYNNGSSA-N 3 2 347.503 1.970 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@@H+]1C ZINC000162007608 442055941 /nfs/dbraw/zinc/05/59/41/442055941.db2.gz MXHFRHLZFTXCBK-HKUYNNGSSA-N 2 2 347.503 1.970 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@H+]1C ZINC000162007608 442055948 /nfs/dbraw/zinc/05/59/48/442055948.db2.gz MXHFRHLZFTXCBK-HKUYNNGSSA-N 2 2 347.503 1.970 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000151432754 442061367 /nfs/dbraw/zinc/06/13/67/442061367.db2.gz QNEIFQJADVUBFH-HOCLYGCPSA-N 2 2 325.478 1.351 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000151432754 442061372 /nfs/dbraw/zinc/06/13/72/442061372.db2.gz QNEIFQJADVUBFH-HOCLYGCPSA-N 2 2 325.478 1.351 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000126035889 442072278 /nfs/dbraw/zinc/07/22/78/442072278.db2.gz VRQSGLPBRQOWPP-MRXNPFEDSA-N 2 2 329.448 1.398 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000126035889 442072282 /nfs/dbraw/zinc/07/22/82/442072282.db2.gz VRQSGLPBRQOWPP-MRXNPFEDSA-N 2 2 329.448 1.398 20 0 EDADLP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000162207066 442074657 /nfs/dbraw/zinc/07/46/57/442074657.db2.gz FSHZIMLKGPDIEQ-OAHLLOKOSA-N 2 2 342.447 1.034 20 0 EDADLP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000162207066 442074661 /nfs/dbraw/zinc/07/46/61/442074661.db2.gz FSHZIMLKGPDIEQ-OAHLLOKOSA-N 2 2 342.447 1.034 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000162306988 442081916 /nfs/dbraw/zinc/08/19/16/442081916.db2.gz OYYXTJKGTFYJLN-UHFFFAOYSA-N 2 2 336.461 1.656 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000162306988 442081919 /nfs/dbraw/zinc/08/19/19/442081919.db2.gz OYYXTJKGTFYJLN-UHFFFAOYSA-N 2 2 336.461 1.656 20 0 EDADLP COC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000175720285 442111251 /nfs/dbraw/zinc/11/12/51/442111251.db2.gz ISAHJURBMXGGQJ-GOSISDBHSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCOC1 ZINC000162813782 442124614 /nfs/dbraw/zinc/12/46/14/442124614.db2.gz IPFDUKWDYMAURN-GOEBONIOSA-N 2 2 337.489 1.407 20 0 EDADLP Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162520821 442100636 /nfs/dbraw/zinc/10/06/36/442100636.db2.gz ICFXMTPUWWTNET-MRXNPFEDSA-N 2 2 335.496 1.190 20 0 EDADLP Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162520821 442100640 /nfs/dbraw/zinc/10/06/40/442100640.db2.gz ICFXMTPUWWTNET-MRXNPFEDSA-N 2 2 335.496 1.190 20 0 EDADLP CC(C)(CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000126386573 442106281 /nfs/dbraw/zinc/10/62/81/442106281.db2.gz RRQVRDUTCSTJJO-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP COC(=O)C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000176105302 442177240 /nfs/dbraw/zinc/17/72/40/442177240.db2.gz WUSXHZISTFMNJD-KRWDZBQOSA-N 2 2 347.459 1.291 20 0 EDADLP CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCCC2 ZINC000121138261 442181728 /nfs/dbraw/zinc/18/17/28/442181728.db2.gz DPGLYICQZAVNPP-IAGOWNOFSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)cn2)CC1 ZINC000127389019 442198510 /nfs/dbraw/zinc/19/85/10/442198510.db2.gz ZAXFYIYEYDQRGH-QGZVFWFLSA-N 2 2 326.448 1.894 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)cn2)CC1 ZINC000127389019 442198513 /nfs/dbraw/zinc/19/85/13/442198513.db2.gz ZAXFYIYEYDQRGH-QGZVFWFLSA-N 2 2 326.448 1.894 20 0 EDADLP C[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C[NH+]1CCOCC1 ZINC000163426602 442164493 /nfs/dbraw/zinc/16/44/93/442164493.db2.gz SZYBEJNBVSUCNI-OAHLLOKOSA-N 2 2 335.452 1.198 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000166412542 442216614 /nfs/dbraw/zinc/21/66/14/442216614.db2.gz JGGLRSKRVJSQLP-HNNXBMFYSA-N 2 2 335.448 1.394 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000166412542 442216618 /nfs/dbraw/zinc/21/66/18/442216618.db2.gz JGGLRSKRVJSQLP-HNNXBMFYSA-N 2 2 335.448 1.394 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000168537741 442224550 /nfs/dbraw/zinc/22/45/50/442224550.db2.gz LUGKENZOZJUQFP-MSOLQXFVSA-N 2 2 331.460 1.188 20 0 EDADLP CC[NH+](CC)CCCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000170793659 442265137 /nfs/dbraw/zinc/26/51/37/442265137.db2.gz FXLPLSKQQXZBPU-UHFFFAOYSA-N 2 2 338.540 1.739 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CCN1CC(F)F ZINC000153393118 442279887 /nfs/dbraw/zinc/27/98/87/442279887.db2.gz JUVYLZBCUSUSKW-HNNXBMFYSA-N 2 2 346.466 1.248 20 0 EDADLP CC(C)NC(=O)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258331 442321103 /nfs/dbraw/zinc/32/11/03/442321103.db2.gz KJOVVKTWARHSPS-UHFFFAOYSA-N 2 2 332.492 1.935 20 0 EDADLP CC(C)NC(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258331 442321104 /nfs/dbraw/zinc/32/11/04/442321104.db2.gz KJOVVKTWARHSPS-UHFFFAOYSA-N 2 2 332.492 1.935 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CCSC1 ZINC000154111820 442321868 /nfs/dbraw/zinc/32/18/68/442321868.db2.gz PIRBRHDQFRKODB-HNNXBMFYSA-N 2 2 334.489 1.735 20 0 EDADLP CCS(=O)(=O)CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177490575 442348951 /nfs/dbraw/zinc/34/89/51/442348951.db2.gz CNBXUDSVCCWUSO-HOTGVXAUSA-N 2 2 346.537 1.632 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171105051 442312898 /nfs/dbraw/zinc/31/28/98/442312898.db2.gz MTLPLPBUXASPKT-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171105051 442312900 /nfs/dbraw/zinc/31/29/00/442312900.db2.gz MTLPLPBUXASPKT-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171105051 442312904 /nfs/dbraw/zinc/31/29/04/442312904.db2.gz MTLPLPBUXASPKT-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171105051 442312907 /nfs/dbraw/zinc/31/29/07/442312907.db2.gz MTLPLPBUXASPKT-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@H+](CCNC(=O)NCC[NH+]1CCOCC1(C)C)C1CCCC1 ZINC000171686829 442370355 /nfs/dbraw/zinc/37/03/55/442370355.db2.gz YPQTWEQBNHHZSL-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+](CCNC(=O)NCC[NH+]1CCOCC1(C)C)C1CCCC1 ZINC000171686829 442370358 /nfs/dbraw/zinc/37/03/58/442370358.db2.gz YPQTWEQBNHHZSL-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](CCNC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CCCC1 ZINC000171686829 442370359 /nfs/dbraw/zinc/37/03/59/442370359.db2.gz YPQTWEQBNHHZSL-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](CCNC(=O)NCC[N@H+]1CCOCC1(C)C)C1CCCC1 ZINC000171686829 442370361 /nfs/dbraw/zinc/37/03/61/442370361.db2.gz YPQTWEQBNHHZSL-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[N@@H+](C4CC4)CC3)nc[nH+]2)C1 ZINC000171831684 442383487 /nfs/dbraw/zinc/38/34/87/442383487.db2.gz YFZFEHPIBNFYEO-HNNXBMFYSA-N 2 2 331.464 1.360 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[N@H+](C4CC4)CC3)nc[nH+]2)C1 ZINC000171831684 442383490 /nfs/dbraw/zinc/38/34/90/442383490.db2.gz YFZFEHPIBNFYEO-HNNXBMFYSA-N 2 2 331.464 1.360 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000155602175 442411765 /nfs/dbraw/zinc/41/17/65/442411765.db2.gz VSGDNNDBGNXHQI-KSSFIOAISA-N 2 2 349.475 1.721 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cn2)CC1 ZINC000155924407 442437371 /nfs/dbraw/zinc/43/73/71/442437371.db2.gz NINNMKHZULWRFF-AWEZNQCLSA-N 2 2 340.431 1.231 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000133913782 442439529 /nfs/dbraw/zinc/43/95/29/442439529.db2.gz WFXCUVFJWNAQEN-DLBZAZTESA-N 2 2 345.487 1.518 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000133913782 442439531 /nfs/dbraw/zinc/43/95/31/442439531.db2.gz WFXCUVFJWNAQEN-DLBZAZTESA-N 2 2 345.487 1.518 20 0 EDADLP CCCCN(CC)C(=O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134128650 442452117 /nfs/dbraw/zinc/45/21/17/442452117.db2.gz KUHXFBNWCULHKO-UHFFFAOYSA-N 2 2 348.495 1.313 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134167060 442454488 /nfs/dbraw/zinc/45/44/88/442454488.db2.gz ZSRRNKFLLCKIBU-LSDHHAIUSA-N 2 2 348.495 1.358 20 0 EDADLP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000156511625 442489716 /nfs/dbraw/zinc/48/97/16/442489716.db2.gz BKOHMSWMLLDYRC-HOTGVXAUSA-N 2 2 341.496 1.944 20 0 EDADLP CC(C)C(=O)NCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178851272 442503185 /nfs/dbraw/zinc/50/31/85/442503185.db2.gz PCGWHJKSAZNWCS-UHFFFAOYSA-N 2 2 325.376 1.395 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000191935724 442542818 /nfs/dbraw/zinc/54/28/18/442542818.db2.gz OHVRBMMPFLKNAH-UHFFFAOYSA-N 3 2 341.459 1.387 20 0 EDADLP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000191935724 442542822 /nfs/dbraw/zinc/54/28/22/442542822.db2.gz OHVRBMMPFLKNAH-UHFFFAOYSA-N 2 2 341.459 1.387 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179870011 442514163 /nfs/dbraw/zinc/51/41/63/442514163.db2.gz UQBPWPMFYOANAP-JKSUJKDBSA-N 2 2 346.475 1.523 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840405 442520731 /nfs/dbraw/zinc/52/07/31/442520731.db2.gz IIURMSROYCTYRN-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840405 442520737 /nfs/dbraw/zinc/52/07/37/442520737.db2.gz IIURMSROYCTYRN-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP Cc1cc(C)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000172697815 442523046 /nfs/dbraw/zinc/52/30/46/442523046.db2.gz RVABNEQBQBJRHC-IBGZPJMESA-N 2 2 345.487 1.635 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157304790 442570773 /nfs/dbraw/zinc/57/07/73/442570773.db2.gz XLEYLBHYZZAVSD-MRXNPFEDSA-N 2 2 339.480 1.396 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157304790 442570779 /nfs/dbraw/zinc/57/07/79/442570779.db2.gz XLEYLBHYZZAVSD-MRXNPFEDSA-N 2 2 339.480 1.396 20 0 EDADLP C[N@H+](CCc1nccs1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000157377871 442577294 /nfs/dbraw/zinc/57/72/94/442577294.db2.gz ZTTUGYOMZRFENX-UHFFFAOYSA-N 2 2 348.472 1.555 20 0 EDADLP C[N@@H+](CCc1nccs1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000157377871 442577300 /nfs/dbraw/zinc/57/73/00/442577300.db2.gz ZTTUGYOMZRFENX-UHFFFAOYSA-N 2 2 348.472 1.555 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000179142702 442581760 /nfs/dbraw/zinc/58/17/60/442581760.db2.gz ZVZAQCDNFBEMHH-ZDUSSCGKSA-N 2 2 332.473 1.898 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]C3CCN(S(=O)(=O)C4CC4)CC3)n2c1 ZINC000157497984 442588250 /nfs/dbraw/zinc/58/82/50/442588250.db2.gz ZIDFZMOBNGGABY-UHFFFAOYSA-N 2 2 348.472 1.689 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000186728890 442603100 /nfs/dbraw/zinc/60/31/00/442603100.db2.gz NMKLPRNHKPHMAF-QFBILLFUSA-N 2 2 344.459 1.993 20 0 EDADLP C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000157266228 442565767 /nfs/dbraw/zinc/56/57/67/442565767.db2.gz CHHPFWJUVIKQCT-LBPRGKRZSA-N 2 2 335.839 1.369 20 0 EDADLP C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000157266228 442565771 /nfs/dbraw/zinc/56/57/71/442565771.db2.gz CHHPFWJUVIKQCT-LBPRGKRZSA-N 2 2 335.839 1.369 20 0 EDADLP Cc1cc(N2CCC([N@H+](C)Cc3nccc(N)n3)CC2)nc(C)[nH+]1 ZINC000135196549 442568481 /nfs/dbraw/zinc/56/84/81/442568481.db2.gz ISSXSIFKRVCCQX-UHFFFAOYSA-N 2 2 327.436 1.566 20 0 EDADLP Cc1cc(N2CCC([N@@H+](C)Cc3nccc(N)n3)CC2)nc(C)[nH+]1 ZINC000135196549 442568484 /nfs/dbraw/zinc/56/84/84/442568484.db2.gz ISSXSIFKRVCCQX-UHFFFAOYSA-N 2 2 327.436 1.566 20 0 EDADLP C[C@@H]1c2cccn2CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179301869 442616852 /nfs/dbraw/zinc/61/68/52/442616852.db2.gz BRRPVOSMNGKGIP-OAHLLOKOSA-N 2 2 333.480 1.600 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)[C@H](C)C3)CC2)c1 ZINC000186899520 442626769 /nfs/dbraw/zinc/62/67/69/442626769.db2.gz HSEMMSNHGJFCMI-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](O)[C@H](C)C3)CC2)c1 ZINC000186899520 442626776 /nfs/dbraw/zinc/62/67/76/442626776.db2.gz HSEMMSNHGJFCMI-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000192301199 442630063 /nfs/dbraw/zinc/63/00/63/442630063.db2.gz JTOPFQYPVWDMAN-MRXNPFEDSA-N 2 2 333.480 1.795 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000192301199 442630067 /nfs/dbraw/zinc/63/00/67/442630067.db2.gz JTOPFQYPVWDMAN-MRXNPFEDSA-N 2 2 333.480 1.795 20 0 EDADLP O=C1C[C@@H]([NH2+][C@@H]2CCCc3occc32)CN1CC[NH+]1CCOCC1 ZINC000193003418 442704307 /nfs/dbraw/zinc/70/43/07/442704307.db2.gz MEWXFLZQYDVFEL-GDBMZVCRSA-N 2 2 333.432 1.180 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H]2CCCc3occc32)CN1CC[NH+]1CCOCC1 ZINC000193003430 442704443 /nfs/dbraw/zinc/70/44/43/442704443.db2.gz MEWXFLZQYDVFEL-ZBFHGGJFSA-N 2 2 333.432 1.180 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000188181941 442721356 /nfs/dbraw/zinc/72/13/56/442721356.db2.gz DCDNYXVGKULXPY-UHFFFAOYSA-N 2 2 339.443 1.404 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000188181941 442721357 /nfs/dbraw/zinc/72/13/57/442721357.db2.gz DCDNYXVGKULXPY-UHFFFAOYSA-N 2 2 339.443 1.404 20 0 EDADLP COC(=O)c1coc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000182560783 442786972 /nfs/dbraw/zinc/78/69/72/442786972.db2.gz MHZFVPLXOWEWAV-SJPCQFCGSA-N 2 2 347.459 1.809 20 0 EDADLP COC(=O)c1coc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000182560783 442786977 /nfs/dbraw/zinc/78/69/77/442786977.db2.gz MHZFVPLXOWEWAV-SJPCQFCGSA-N 2 2 347.459 1.809 20 0 EDADLP COc1cccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000182558197 442787233 /nfs/dbraw/zinc/78/72/33/442787233.db2.gz RANWMOLJRWHFGE-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1cccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000182558197 442787236 /nfs/dbraw/zinc/78/72/36/442787236.db2.gz RANWMOLJRWHFGE-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000182558197 442787239 /nfs/dbraw/zinc/78/72/39/442787239.db2.gz RANWMOLJRWHFGE-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000182558197 442787241 /nfs/dbraw/zinc/78/72/41/442787241.db2.gz RANWMOLJRWHFGE-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182668795 442804002 /nfs/dbraw/zinc/80/40/02/442804002.db2.gz ULIUXBGPEIOJHR-OAHLLOKOSA-N 2 2 327.375 1.016 20 0 EDADLP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000246363757 442776453 /nfs/dbraw/zinc/77/64/53/442776453.db2.gz FOCKXIRRKTWQCY-ZACQAIPSSA-N 2 2 340.512 1.515 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000246473205 442783828 /nfs/dbraw/zinc/78/38/28/442783828.db2.gz QVUHUOLXWPIJEN-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000246473205 442783831 /nfs/dbraw/zinc/78/38/31/442783831.db2.gz QVUHUOLXWPIJEN-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccncc1 ZINC000267909982 442785434 /nfs/dbraw/zinc/78/54/34/442785434.db2.gz ODQROBNKNYCQQF-UHFFFAOYSA-N 2 2 334.464 1.131 20 0 EDADLP CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccncc1 ZINC000267909982 442785438 /nfs/dbraw/zinc/78/54/38/442785438.db2.gz ODQROBNKNYCQQF-UHFFFAOYSA-N 2 2 334.464 1.131 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188965255 442850555 /nfs/dbraw/zinc/85/05/55/442850555.db2.gz WDSDJIGDEJCMND-RBSFLKMASA-N 2 2 337.430 1.790 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247485076 442856131 /nfs/dbraw/zinc/85/61/31/442856131.db2.gz KMMGFRJXCKVVHH-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247485076 442856132 /nfs/dbraw/zinc/85/61/32/442856132.db2.gz KMMGFRJXCKVVHH-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000265646301 442860594 /nfs/dbraw/zinc/86/05/94/442860594.db2.gz LYXMKVMLEBWJGC-ZBFHGGJFSA-N 2 2 330.432 1.224 20 0 EDADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000265646301 442860597 /nfs/dbraw/zinc/86/05/97/442860597.db2.gz LYXMKVMLEBWJGC-ZBFHGGJFSA-N 2 2 330.432 1.224 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000247708367 442866816 /nfs/dbraw/zinc/86/68/16/442866816.db2.gz ZNXIVFBUWJZUGP-OKZBNKHCSA-N 2 2 337.508 1.963 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000247708367 442866817 /nfs/dbraw/zinc/86/68/17/442866817.db2.gz ZNXIVFBUWJZUGP-OKZBNKHCSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000247708367 442866819 /nfs/dbraw/zinc/86/68/19/442866819.db2.gz ZNXIVFBUWJZUGP-OKZBNKHCSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000247708367 442866821 /nfs/dbraw/zinc/86/68/21/442866821.db2.gz ZNXIVFBUWJZUGP-OKZBNKHCSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247812261 442868590 /nfs/dbraw/zinc/86/85/90/442868590.db2.gz VFMXBQOTYHHNIO-ZACQAIPSSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000247812261 442868593 /nfs/dbraw/zinc/86/85/93/442868593.db2.gz VFMXBQOTYHHNIO-ZACQAIPSSA-N 2 2 339.528 1.042 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000183061348 442872614 /nfs/dbraw/zinc/87/26/14/442872614.db2.gz DIBQXCZXBVKKLW-KBXCAEBGSA-N 2 2 346.475 1.663 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000265728354 442897420 /nfs/dbraw/zinc/89/74/20/442897420.db2.gz POKKXLGXWCWBEG-FUHWJXTLSA-N 2 2 333.476 1.764 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000265728354 442897426 /nfs/dbraw/zinc/89/74/26/442897426.db2.gz POKKXLGXWCWBEG-FUHWJXTLSA-N 2 2 333.476 1.764 20 0 EDADLP COC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000183465878 442933370 /nfs/dbraw/zinc/93/33/70/442933370.db2.gz GJIHUQAENAGGGR-ZBFHGGJFSA-N 2 2 332.448 1.133 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cn1 ZINC000183528067 442938196 /nfs/dbraw/zinc/93/81/96/442938196.db2.gz IBHICQOGXGDMAE-UHFFFAOYSA-N 2 2 336.399 1.967 20 0 EDADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000186932224 318552459 /nfs/dbraw/zinc/55/24/59/318552459.db2.gz XBGLMSMLOFYNDX-MRXNPFEDSA-N 2 2 341.459 1.290 20 0 EDADLP C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265889943 442958707 /nfs/dbraw/zinc/95/87/07/442958707.db2.gz RARGVONAQAOYDV-CALCHBBNSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265889943 442958713 /nfs/dbraw/zinc/95/87/13/442958713.db2.gz RARGVONAQAOYDV-CALCHBBNSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1[NH+](C)C ZINC000268424267 442984798 /nfs/dbraw/zinc/98/47/98/442984798.db2.gz XBSMPVZMKSFIBC-GOEBONIOSA-N 2 2 331.464 1.773 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000268520436 443019025 /nfs/dbraw/zinc/01/90/25/443019025.db2.gz GACUZRFHWCEGHF-UHFFFAOYSA-N 2 2 345.447 1.369 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000266160289 443040269 /nfs/dbraw/zinc/04/02/69/443040269.db2.gz ZKXGCDNLRIZFON-ZDUSSCGKSA-N 2 2 349.431 1.443 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000184910534 443095913 /nfs/dbraw/zinc/09/59/13/443095913.db2.gz IAGJGAFOCADCBS-UHFFFAOYSA-N 2 2 346.479 1.493 20 0 EDADLP CC(=O)N1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@H](C)C1 ZINC000268620487 443054599 /nfs/dbraw/zinc/05/45/99/443054599.db2.gz ADLSUEPCYWCEIE-NVXWUHKLSA-N 2 2 344.459 1.567 20 0 EDADLP CC(=O)N1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@H](C)C1 ZINC000268620487 443054604 /nfs/dbraw/zinc/05/46/04/443054604.db2.gz ADLSUEPCYWCEIE-NVXWUHKLSA-N 2 2 344.459 1.567 20 0 EDADLP C[C@@H](CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000185017162 443119699 /nfs/dbraw/zinc/11/96/99/443119699.db2.gz SELQXRBOZVUMAC-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H](CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000185017162 443119703 /nfs/dbraw/zinc/11/97/03/443119703.db2.gz SELQXRBOZVUMAC-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc[nH+]1 ZINC000185028314 443121356 /nfs/dbraw/zinc/12/13/56/443121356.db2.gz QWQCLSVEJWOQER-HOTGVXAUSA-N 2 2 346.479 1.489 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000227810700 443123933 /nfs/dbraw/zinc/12/39/33/443123933.db2.gz MWFLJYAGPPOCMJ-FGTMMUONSA-N 2 2 339.524 1.920 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000227810700 443123937 /nfs/dbraw/zinc/12/39/37/443123937.db2.gz MWFLJYAGPPOCMJ-FGTMMUONSA-N 2 2 339.524 1.920 20 0 EDADLP CC(C)n1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000190691052 443165321 /nfs/dbraw/zinc/16/53/21/443165321.db2.gz JDKOGZVBAPRIIL-UHFFFAOYSA-N 2 2 333.480 1.752 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299494539 318908053 /nfs/dbraw/zinc/90/80/53/318908053.db2.gz AZFUKPOVTLZMCY-UHFFFAOYSA-N 2 2 345.447 1.853 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236951621 443153614 /nfs/dbraw/zinc/15/36/14/443153614.db2.gz BKIUGNPHUATQFD-VQIMIIECSA-N 2 2 344.503 1.263 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236951621 443153616 /nfs/dbraw/zinc/15/36/16/443153616.db2.gz BKIUGNPHUATQFD-VQIMIIECSA-N 2 2 344.503 1.263 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000190660476 443159728 /nfs/dbraw/zinc/15/97/28/443159728.db2.gz HQQWAODBGDHDPT-UHFFFAOYSA-N 2 2 336.436 1.609 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268964011 443160673 /nfs/dbraw/zinc/16/06/73/443160673.db2.gz YASPCNNMSGRHTG-WMZOPIPTSA-N 3 2 334.508 1.523 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268964011 443160676 /nfs/dbraw/zinc/16/06/76/443160676.db2.gz YASPCNNMSGRHTG-WMZOPIPTSA-N 3 2 334.508 1.523 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000266752418 443229301 /nfs/dbraw/zinc/22/93/01/443229301.db2.gz CZNSPQBIJDXVID-UKRRQHHQSA-N 2 2 335.448 1.694 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000266752418 443229302 /nfs/dbraw/zinc/22/93/02/443229302.db2.gz CZNSPQBIJDXVID-UKRRQHHQSA-N 2 2 335.448 1.694 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000269223552 443238579 /nfs/dbraw/zinc/23/85/79/443238579.db2.gz AXRCCEHPKMMIOO-DOTOQJQBSA-N 2 2 346.406 1.533 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC[NH2+]C(C)(C)C)CC2)C1 ZINC000414682232 319341539 /nfs/dbraw/zinc/34/15/39/319341539.db2.gz RAIYKWYKGOHMPX-CALCHBBNSA-N 2 2 338.540 1.497 20 0 EDADLP [NH3+]CC[C@H](NC(=O)NCc1cccc(-n2cc[nH+]c2)c1)C(F)(F)F ZINC000416001710 319389156 /nfs/dbraw/zinc/38/91/56/319389156.db2.gz CVRQUMZWAXAZGW-ZDUSSCGKSA-N 2 2 341.337 1.951 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C1 ZINC000416003285 319389294 /nfs/dbraw/zinc/38/92/94/319389294.db2.gz GNIMQEZMNNBMFW-NWDGAFQWSA-N 2 2 347.385 1.664 20 0 EDADLP CN(Cc1ccccc1F)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266890133 443281294 /nfs/dbraw/zinc/28/12/94/443281294.db2.gz CMHSWOJTXOXTDX-UHFFFAOYSA-N 2 2 345.422 1.340 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000266922702 443291371 /nfs/dbraw/zinc/29/13/71/443291371.db2.gz MIZUMZPBEBPQSX-INIZCTEOSA-N 2 2 341.415 1.568 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000266952892 443302155 /nfs/dbraw/zinc/30/21/55/443302155.db2.gz ILGBXLPYMABKJZ-KRWDZBQOSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000266952892 443302159 /nfs/dbraw/zinc/30/21/59/443302159.db2.gz ILGBXLPYMABKJZ-KRWDZBQOSA-N 2 2 345.487 1.830 20 0 EDADLP COc1ccc([C@H](NC(=O)N(C)C2CC([NH3+])C2)c2[nH+]ccn2C)cc1 ZINC000416904702 319470732 /nfs/dbraw/zinc/47/07/32/319470732.db2.gz IFCLNKBJKZVMCZ-XUJLQICISA-N 2 2 343.431 1.649 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000416931269 319477614 /nfs/dbraw/zinc/47/76/14/319477614.db2.gz KWQTWOGIGREQPZ-KGLIPLIRSA-N 2 2 347.463 1.124 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000416942146 319480606 /nfs/dbraw/zinc/48/06/06/319480606.db2.gz IXPWUFZHYNWLIT-LBPRGKRZSA-N 2 2 337.374 1.421 20 0 EDADLP CC1(C)Cc2cc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc2O1 ZINC000264557432 443324999 /nfs/dbraw/zinc/32/49/99/443324999.db2.gz DYYTYSAZNJWSMU-MRXNPFEDSA-N 2 2 331.460 1.830 20 0 EDADLP CC1(C)Cc2cc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)ccc2O1 ZINC000264557432 443325003 /nfs/dbraw/zinc/32/50/03/443325003.db2.gz DYYTYSAZNJWSMU-MRXNPFEDSA-N 2 2 331.460 1.830 20 0 EDADLP CCOC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000267074823 443333548 /nfs/dbraw/zinc/33/35/48/443333548.db2.gz LRRWDPRGIVCDCL-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP CCOC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000267074823 443333552 /nfs/dbraw/zinc/33/35/52/443333552.db2.gz LRRWDPRGIVCDCL-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP COc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC000267231079 443386515 /nfs/dbraw/zinc/38/65/15/443386515.db2.gz JAIVZYOXZXEYLC-UHFFFAOYSA-N 2 2 335.448 1.460 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000264711919 443387057 /nfs/dbraw/zinc/38/70/57/443387057.db2.gz DQAUOEBZPAGXAC-UHFFFAOYSA-N 2 2 335.452 1.011 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)[NH+](C)C)cc1 ZINC000264732136 443396484 /nfs/dbraw/zinc/39/64/84/443396484.db2.gz NFXBZMWMTQFINI-MSOLQXFVSA-N 2 2 347.507 1.143 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)[NH+](C)C)cc1 ZINC000264732136 443396488 /nfs/dbraw/zinc/39/64/88/443396488.db2.gz NFXBZMWMTQFINI-MSOLQXFVSA-N 2 2 347.507 1.143 20 0 EDADLP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)c1 ZINC000264760353 443411169 /nfs/dbraw/zinc/41/11/69/443411169.db2.gz LPQYIHFQVHVCBR-GOSISDBHSA-N 2 2 347.507 1.183 20 0 EDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)c1 ZINC000264760353 443411173 /nfs/dbraw/zinc/41/11/73/443411173.db2.gz LPQYIHFQVHVCBR-GOSISDBHSA-N 2 2 347.507 1.183 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000264760353 443411176 /nfs/dbraw/zinc/41/11/76/443411176.db2.gz LPQYIHFQVHVCBR-GOSISDBHSA-N 2 2 347.507 1.183 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000264760353 443411178 /nfs/dbraw/zinc/41/11/78/443411178.db2.gz LPQYIHFQVHVCBR-GOSISDBHSA-N 2 2 347.507 1.183 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NCC[NH+]1CCSCC1 ZINC000264866665 443459106 /nfs/dbraw/zinc/45/91/06/443459106.db2.gz LXWPEODTBJRCQG-UHFFFAOYSA-N 2 2 337.493 1.622 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000278844178 443459802 /nfs/dbraw/zinc/45/98/02/443459802.db2.gz VAIRYHURDSGTSJ-GOSISDBHSA-N 2 2 342.491 1.757 20 0 EDADLP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000278844178 443459806 /nfs/dbraw/zinc/45/98/06/443459806.db2.gz VAIRYHURDSGTSJ-GOSISDBHSA-N 2 2 342.491 1.757 20 0 EDADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)ccc1OCC(=O)N(C)C ZINC000422926228 319737779 /nfs/dbraw/zinc/73/77/79/319737779.db2.gz CIBSAXINFBWFEP-DZGCQCFKSA-N 2 2 335.448 1.392 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)cc(C)[nH+]1 ZINC000422972560 319743346 /nfs/dbraw/zinc/74/33/46/319743346.db2.gz MEIIBHSCEMUHKW-MRXNPFEDSA-N 2 2 326.400 1.131 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)cc1 ZINC000423304859 319762546 /nfs/dbraw/zinc/76/25/46/319762546.db2.gz PIVUPKRABIAQLX-APWZRJJASA-N 2 2 329.444 1.482 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000286077906 443641199 /nfs/dbraw/zinc/64/11/99/443641199.db2.gz HDFCAIITEXWUEP-QZTJIDSGSA-N 2 2 346.475 1.728 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000286077906 443641202 /nfs/dbraw/zinc/64/12/02/443641202.db2.gz HDFCAIITEXWUEP-QZTJIDSGSA-N 2 2 346.475 1.728 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272326705 443592656 /nfs/dbraw/zinc/59/26/56/443592656.db2.gz LPAQXACGXDHBEC-HNNXBMFYSA-N 2 2 331.420 1.354 20 0 EDADLP COc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)cc(OC)c1OC ZINC000430543219 319932253 /nfs/dbraw/zinc/93/22/53/319932253.db2.gz DPRZXVMFWHAEBL-QGZVFWFLSA-N 2 2 337.420 1.368 20 0 EDADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000430971267 319936434 /nfs/dbraw/zinc/93/64/34/319936434.db2.gz MNKJEMUDWZBVOR-HOCLYGCPSA-N 2 2 347.459 1.357 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000279559971 443606400 /nfs/dbraw/zinc/60/64/00/443606400.db2.gz BFJXVVZXKGLDTL-HOTGVXAUSA-N 2 2 345.422 1.221 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443865132 320113306 /nfs/dbraw/zinc/11/33/06/320113306.db2.gz ABGRYZWGHMSHKS-JKSUJKDBSA-N 2 2 332.448 1.159 20 0 EDADLP COC[C@]1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000451200573 320229152 /nfs/dbraw/zinc/22/91/52/320229152.db2.gz HXLFPEJGUZAEJC-GOSISDBHSA-N 2 2 335.448 1.282 20 0 EDADLP COC[C@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000451200573 320229156 /nfs/dbraw/zinc/22/91/56/320229156.db2.gz HXLFPEJGUZAEJC-GOSISDBHSA-N 2 2 335.448 1.282 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C12CCOCC2 ZINC000453267648 320261601 /nfs/dbraw/zinc/26/16/01/320261601.db2.gz PKSOZDJMDZPBDL-IXDOHACOSA-N 2 2 326.481 1.397 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C12CCOCC2 ZINC000453267648 320261602 /nfs/dbraw/zinc/26/16/02/320261602.db2.gz PKSOZDJMDZPBDL-IXDOHACOSA-N 2 2 326.481 1.397 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000453983528 320275624 /nfs/dbraw/zinc/27/56/24/320275624.db2.gz VFJRHPSDVHDJJF-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000453983528 320275625 /nfs/dbraw/zinc/27/56/25/320275625.db2.gz VFJRHPSDVHDJJF-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456999089 320316753 /nfs/dbraw/zinc/31/67/53/320316753.db2.gz SMXWDWDSBJPUHY-DOTOQJQBSA-N 2 2 335.448 1.138 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456999089 320316754 /nfs/dbraw/zinc/31/67/54/320316754.db2.gz SMXWDWDSBJPUHY-DOTOQJQBSA-N 2 2 335.448 1.138 20 0 EDADLP CC[C@@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000457080205 320319131 /nfs/dbraw/zinc/31/91/31/320319131.db2.gz MNUMFGIDLFIIGM-HOTGVXAUSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000457080205 320319132 /nfs/dbraw/zinc/31/91/32/320319132.db2.gz MNUMFGIDLFIIGM-HOTGVXAUSA-N 2 2 325.497 1.866 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000489348243 320359291 /nfs/dbraw/zinc/35/92/91/320359291.db2.gz LYHJUMIRWFONIE-OALUTQOASA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000489348243 320359292 /nfs/dbraw/zinc/35/92/92/320359292.db2.gz LYHJUMIRWFONIE-OALUTQOASA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000489348243 320359293 /nfs/dbraw/zinc/35/92/93/320359293.db2.gz LYHJUMIRWFONIE-OALUTQOASA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000489348243 320359294 /nfs/dbraw/zinc/35/92/94/320359294.db2.gz LYHJUMIRWFONIE-OALUTQOASA-N 2 2 345.487 1.686 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cn1 ZINC000489785955 320362031 /nfs/dbraw/zinc/36/20/31/320362031.db2.gz ZEDNXWNCARHCJL-IRXDYDNUSA-N 2 2 348.495 1.120 20 0 EDADLP COc1cc(F)c(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000514608642 320429478 /nfs/dbraw/zinc/42/94/78/320429478.db2.gz GZLWKNWUZMFMML-CYBMUJFWSA-N 2 2 326.412 1.901 20 0 EDADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)c1cn[nH]c1 ZINC000516653440 320440013 /nfs/dbraw/zinc/44/00/13/320440013.db2.gz CXCWPPAHESJHJL-GUYCJALGSA-N 2 2 338.415 1.402 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000527719088 320522826 /nfs/dbraw/zinc/52/28/26/320522826.db2.gz GBOIPMYPCKRMBN-QGZVFWFLSA-N 2 2 328.416 1.381 20 0 EDADLP COc1ccc(CN2CCC[N@H+](CCc3c[nH+]cn3C)CC2=O)cc1 ZINC000298394173 443760686 /nfs/dbraw/zinc/76/06/86/443760686.db2.gz LMVUGJMFPWJXAO-UHFFFAOYSA-N 2 2 342.443 1.706 20 0 EDADLP COc1ccc(CN2CCC[N@@H+](CCc3c[nH+]cn3C)CC2=O)cc1 ZINC000298394173 443760687 /nfs/dbraw/zinc/76/06/87/443760687.db2.gz LMVUGJMFPWJXAO-UHFFFAOYSA-N 2 2 342.443 1.706 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H](C)c1ccccc1 ZINC000281361054 443890259 /nfs/dbraw/zinc/89/02/59/443890259.db2.gz UYUYCFSIXUNIDT-KRWDZBQOSA-N 2 2 333.476 1.513 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H](C)c1ccccc1 ZINC000281361054 443890267 /nfs/dbraw/zinc/89/02/67/443890267.db2.gz UYUYCFSIXUNIDT-KRWDZBQOSA-N 2 2 333.476 1.513 20 0 EDADLP C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000293088793 443921989 /nfs/dbraw/zinc/92/19/89/443921989.db2.gz TULCXTTVYRGSGZ-RDTXWAMCSA-N 2 2 346.475 1.834 20 0 EDADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC(C)(C)C ZINC000285489441 444004218 /nfs/dbraw/zinc/00/42/18/444004218.db2.gz PGMXQQLMRZHSOR-UHFFFAOYSA-N 2 2 346.519 1.651 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC(C)(C)C ZINC000285489441 444004220 /nfs/dbraw/zinc/00/42/20/444004220.db2.gz PGMXQQLMRZHSOR-UHFFFAOYSA-N 2 2 346.519 1.651 20 0 EDADLP C[C@H](O)C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)CO ZINC000285388388 443965722 /nfs/dbraw/zinc/96/57/22/443965722.db2.gz SNGSRODGTFWSNN-ROUUACIJSA-N 2 2 335.492 1.262 20 0 EDADLP C[C@H](O)C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)CO ZINC000285388388 443965725 /nfs/dbraw/zinc/96/57/25/443965725.db2.gz SNGSRODGTFWSNN-ROUUACIJSA-N 2 2 335.492 1.262 20 0 EDADLP C[N@H+](CCn1cc[nH+]c1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285391244 443967342 /nfs/dbraw/zinc/96/73/42/443967342.db2.gz HKEXMRRCOJZJOK-UHFFFAOYSA-N 3 2 327.476 1.633 20 0 EDADLP C[N@@H+](CCn1cc[nH+]c1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285391244 443967346 /nfs/dbraw/zinc/96/73/46/443967346.db2.gz HKEXMRRCOJZJOK-UHFFFAOYSA-N 3 2 327.476 1.633 20 0 EDADLP C[C@H](O)CNc1cc(NCc2ccnc(OCC[NH+](C)C)c2)nc[nH+]1 ZINC000299165334 443972875 /nfs/dbraw/zinc/97/28/75/443972875.db2.gz ZRXUYLMVKPZPJJ-ZDUSSCGKSA-N 2 2 346.435 1.217 20 0 EDADLP C[C@H](O)CNc1cc(NCc2ccnc(OCC[NH+](C)C)c2)[nH+]cn1 ZINC000299165334 443972878 /nfs/dbraw/zinc/97/28/78/443972878.db2.gz ZRXUYLMVKPZPJJ-ZDUSSCGKSA-N 2 2 346.435 1.217 20 0 EDADLP CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000285430582 443982031 /nfs/dbraw/zinc/98/20/31/443982031.db2.gz RCDOGHDUUFMSOX-HDICACEKSA-N 2 2 331.460 1.440 20 0 EDADLP CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000285430582 443982034 /nfs/dbraw/zinc/98/20/34/443982034.db2.gz RCDOGHDUUFMSOX-HDICACEKSA-N 2 2 331.460 1.440 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000548656363 320890099 /nfs/dbraw/zinc/89/00/99/320890099.db2.gz AYSILEMSZKIJRC-MRXNPFEDSA-N 2 2 331.464 1.715 20 0 EDADLP O=C1CCC(=O)N1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281965353 444050427 /nfs/dbraw/zinc/05/04/27/444050427.db2.gz GMHNROHRCINXEV-AWEZNQCLSA-N 2 2 330.432 1.548 20 0 EDADLP O=C1CCC(=O)N1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281965353 444050432 /nfs/dbraw/zinc/05/04/32/444050432.db2.gz GMHNROHRCINXEV-AWEZNQCLSA-N 2 2 330.432 1.548 20 0 EDADLP COC[C@@H]1CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000293485568 444031407 /nfs/dbraw/zinc/03/14/07/444031407.db2.gz GEXGBZBUBZJZFU-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP COC[C@@H]1CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000293485568 444031412 /nfs/dbraw/zinc/03/14/12/444031412.db2.gz GEXGBZBUBZJZFU-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285567525 444031467 /nfs/dbraw/zinc/03/14/67/444031467.db2.gz RBXMNWDGGUASCT-AWEZNQCLSA-N 2 2 345.447 1.105 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000561005291 321031161 /nfs/dbraw/zinc/03/11/61/321031161.db2.gz MDDBWLIMMORPLM-UHFFFAOYSA-N 2 2 343.431 1.654 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000563094563 321095125 /nfs/dbraw/zinc/09/51/25/321095125.db2.gz OPLDXSFTNRWCNT-OAHLLOKOSA-N 2 2 329.448 1.367 20 0 EDADLP C[NH+]1CCO[C@H](CSCCCSC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000563714106 321112736 /nfs/dbraw/zinc/11/27/36/321112736.db2.gz LWCAZULSHNNEHP-GJZGRUSLSA-N 2 2 334.551 1.504 20 0 EDADLP C[NH+]1CCO[C@H](CSCCCSC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000563714106 321112738 /nfs/dbraw/zinc/11/27/38/321112738.db2.gz LWCAZULSHNNEHP-GJZGRUSLSA-N 2 2 334.551 1.504 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)CO[C@@H]3CCOC3)c2cc1C ZINC000563952602 321117285 /nfs/dbraw/zinc/11/72/85/321117285.db2.gz MRSLOSRKNGJZFW-BRWVUGGUSA-N 2 2 347.459 1.798 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000563957589 321117755 /nfs/dbraw/zinc/11/77/55/321117755.db2.gz GANVOOGSMDXBFS-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000563957589 321117756 /nfs/dbraw/zinc/11/77/56/321117756.db2.gz GANVOOGSMDXBFS-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565240474 321178521 /nfs/dbraw/zinc/17/85/21/321178521.db2.gz XACMBTHZOQWVTL-DDTOSNHZSA-N 2 2 338.249 1.754 20 0 EDADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565240474 321178522 /nfs/dbraw/zinc/17/85/22/321178522.db2.gz XACMBTHZOQWVTL-DDTOSNHZSA-N 2 2 338.249 1.754 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)c1cccs1 ZINC000289288308 444097677 /nfs/dbraw/zinc/09/76/77/444097677.db2.gz UGYKLRFEKQTFAO-AWEZNQCLSA-N 2 2 340.493 1.372 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000566454211 321231981 /nfs/dbraw/zinc/23/19/81/321231981.db2.gz VFVOZUXYXDUDLF-APWZRJJASA-N 2 2 345.487 1.726 20 0 EDADLP [NH3+]C1CCC(OCC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000567608562 321248308 /nfs/dbraw/zinc/24/83/08/321248308.db2.gz AIGIIJOAQNUWRX-UHFFFAOYSA-N 2 2 346.475 1.975 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)cn1 ZINC000569481715 321327424 /nfs/dbraw/zinc/32/74/24/321327424.db2.gz ORCXSSRSJBKKSR-GOSISDBHSA-N 2 2 341.459 1.545 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000569837156 321330166 /nfs/dbraw/zinc/33/01/66/321330166.db2.gz JZPQHRRDYDDTIK-QZTJIDSGSA-N 2 2 336.476 1.744 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000569837156 321330167 /nfs/dbraw/zinc/33/01/67/321330167.db2.gz JZPQHRRDYDDTIK-QZTJIDSGSA-N 2 2 336.476 1.744 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000570695479 321354264 /nfs/dbraw/zinc/35/42/64/321354264.db2.gz UWNGSWFGXSVWNZ-DLBZAZTESA-N 2 2 337.508 1.414 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000570695479 321354266 /nfs/dbraw/zinc/35/42/66/321354266.db2.gz UWNGSWFGXSVWNZ-DLBZAZTESA-N 2 2 337.508 1.414 20 0 EDADLP CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OCC ZINC000571226678 321378592 /nfs/dbraw/zinc/37/85/92/321378592.db2.gz UDIVFCOCJCMGFW-CABCVRRESA-N 2 2 333.432 1.228 20 0 EDADLP CCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OCC ZINC000571226678 321378593 /nfs/dbraw/zinc/37/85/93/321378593.db2.gz UDIVFCOCJCMGFW-CABCVRRESA-N 2 2 333.432 1.228 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000289396167 444129306 /nfs/dbraw/zinc/12/93/06/444129306.db2.gz RMSBZNCYXFMPKU-UHFFFAOYSA-N 2 2 342.399 1.149 20 0 EDADLP COc1cc(F)c([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1OC ZINC000289423680 444139362 /nfs/dbraw/zinc/13/93/62/444139362.db2.gz WQUQPAKKICTDBR-AAEUAGOBSA-N 2 2 326.412 1.949 20 0 EDADLP COc1cc(F)c([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1OC ZINC000289423680 444139369 /nfs/dbraw/zinc/13/93/69/444139369.db2.gz WQUQPAKKICTDBR-AAEUAGOBSA-N 2 2 326.412 1.949 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000289500903 444160267 /nfs/dbraw/zinc/16/02/67/444160267.db2.gz DJFKMDGGEOTJSS-UHFFFAOYSA-N 2 2 334.370 1.699 20 0 EDADLP CC(C)C[C@H](CNc1cc(N2CCOCC2)[nH+]cn1)[NH+]1CCOCC1 ZINC000301289109 444161259 /nfs/dbraw/zinc/16/12/59/444161259.db2.gz ODHPNJJFNICNDZ-MRXNPFEDSA-N 2 2 349.479 1.472 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000301320457 444164120 /nfs/dbraw/zinc/16/41/20/444164120.db2.gz RYMQVCUUJDGLDW-NSHDSACASA-N 2 2 341.375 1.106 20 0 EDADLP CN(C)c1ncnc(Cl)c1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289525358 444165075 /nfs/dbraw/zinc/16/50/75/444165075.db2.gz VWBMUCZLTTZFAH-UHFFFAOYSA-N 2 2 342.919 1.511 20 0 EDADLP CN(C)c1ncnc(Cl)c1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289525358 444165077 /nfs/dbraw/zinc/16/50/77/444165077.db2.gz VWBMUCZLTTZFAH-UHFFFAOYSA-N 2 2 342.919 1.511 20 0 EDADLP C[C@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)n1cc[nH+]c1 ZINC000574761246 321499685 /nfs/dbraw/zinc/49/96/85/321499685.db2.gz CPCCJJDQXURPIZ-ZBFHGGJFSA-N 2 2 338.477 1.158 20 0 EDADLP NC(=O)c1c[nH+]ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000302218153 444209544 /nfs/dbraw/zinc/20/95/44/444209544.db2.gz KQDCUJCCLOXUNV-KRWDZBQOSA-N 2 2 326.400 1.666 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)C[C@H]1[NH+]1CCOCC1 ZINC000301587222 444180696 /nfs/dbraw/zinc/18/06/96/444180696.db2.gz RTQBCFFTRZEZBK-HZPDHXFCSA-N 2 2 331.464 1.624 20 0 EDADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000301622503 444182357 /nfs/dbraw/zinc/18/23/57/444182357.db2.gz DVDNIJXZSNWFQJ-UHFFFAOYSA-N 2 2 335.415 1.567 20 0 EDADLP NC(=O)c1c[nH+]ccc1NC[C@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000302012822 444200454 /nfs/dbraw/zinc/20/04/54/444200454.db2.gz DCSSEFYATUBRNS-QGZVFWFLSA-N 2 2 344.390 1.805 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296921169 444263272 /nfs/dbraw/zinc/26/32/72/444263272.db2.gz AMFIXSITYXIHLY-OAHLLOKOSA-N 2 2 335.452 1.030 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296921169 444263274 /nfs/dbraw/zinc/26/32/74/444263274.db2.gz AMFIXSITYXIHLY-OAHLLOKOSA-N 2 2 335.452 1.030 20 0 EDADLP CC(C)c1cc(N2CC[C@@H]([NH+](C)C)C2)nc(N2CC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000302786355 444224057 /nfs/dbraw/zinc/22/40/57/444224057.db2.gz WDNVABJRFYRROU-HZPDHXFCSA-N 3 2 346.523 1.881 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000577049173 321618440 /nfs/dbraw/zinc/61/84/40/321618440.db2.gz CGXMWGAIAHMAKU-QGZVFWFLSA-N 2 2 339.443 1.493 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)c2cc1C ZINC000303393709 444237475 /nfs/dbraw/zinc/23/74/75/444237475.db2.gz GARQXUYYONYEOG-HRCADAONSA-N 2 2 344.459 1.600 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)c2cc1C ZINC000303393709 444237476 /nfs/dbraw/zinc/23/74/76/444237476.db2.gz GARQXUYYONYEOG-HRCADAONSA-N 2 2 344.459 1.600 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000290066157 444237749 /nfs/dbraw/zinc/23/77/49/444237749.db2.gz TWEDRHHONJKPIC-QGZVFWFLSA-N 2 2 347.459 1.648 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000290066157 444237751 /nfs/dbraw/zinc/23/77/51/444237751.db2.gz TWEDRHHONJKPIC-QGZVFWFLSA-N 2 2 347.459 1.648 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000290066157 444237752 /nfs/dbraw/zinc/23/77/52/444237752.db2.gz TWEDRHHONJKPIC-QGZVFWFLSA-N 2 2 347.459 1.648 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1)C1CC1 ZINC000290066157 444237755 /nfs/dbraw/zinc/23/77/55/444237755.db2.gz TWEDRHHONJKPIC-QGZVFWFLSA-N 2 2 347.459 1.648 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000303982235 444238906 /nfs/dbraw/zinc/23/89/06/444238906.db2.gz PYUKCCMQPULOFI-IBGZPJMESA-N 2 2 345.487 1.566 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000303982235 444238907 /nfs/dbraw/zinc/23/89/07/444238907.db2.gz PYUKCCMQPULOFI-IBGZPJMESA-N 2 2 345.487 1.566 20 0 EDADLP CC(C)[C@H]([NH3+])CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000317353308 444315422 /nfs/dbraw/zinc/31/54/22/444315422.db2.gz HUVRNUIUVXNWLK-ZIAGYGMSSA-N 2 2 325.478 1.611 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N1CCOCC1 ZINC000311051727 444292850 /nfs/dbraw/zinc/29/28/50/444292850.db2.gz QVQZDDLDPVLDAN-OALUTQOASA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N1CCOCC1 ZINC000311051727 444292852 /nfs/dbraw/zinc/29/28/52/444292852.db2.gz QVQZDDLDPVLDAN-OALUTQOASA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N1CCOCC1 ZINC000311051727 444292854 /nfs/dbraw/zinc/29/28/54/444292854.db2.gz QVQZDDLDPVLDAN-OALUTQOASA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N1CCOCC1 ZINC000311051727 444292856 /nfs/dbraw/zinc/29/28/56/444292856.db2.gz QVQZDDLDPVLDAN-OALUTQOASA-N 2 2 343.471 1.299 20 0 EDADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000337697686 444359392 /nfs/dbraw/zinc/35/93/92/444359392.db2.gz ZGDNSVKCWBUYFJ-ZWKOTPCHSA-N 2 2 337.508 1.961 20 0 EDADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000337697686 444359396 /nfs/dbraw/zinc/35/93/96/444359396.db2.gz ZGDNSVKCWBUYFJ-ZWKOTPCHSA-N 2 2 337.508 1.961 20 0 EDADLP O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659690 444417905 /nfs/dbraw/zinc/41/79/05/444417905.db2.gz UAENIQHGEYAOKU-DOTOQJQBSA-N 2 2 346.475 1.382 20 0 EDADLP O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659690 444417909 /nfs/dbraw/zinc/41/79/09/444417909.db2.gz UAENIQHGEYAOKU-DOTOQJQBSA-N 2 2 346.475 1.382 20 0 EDADLP O=C(N1CCCC1)[C@]1(O)CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000329035968 444453822 /nfs/dbraw/zinc/45/38/22/444453822.db2.gz RFTVTKFIVOSNDR-SFHVURJKSA-N 2 2 328.416 1.284 20 0 EDADLP O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000329035968 444453824 /nfs/dbraw/zinc/45/38/24/444453824.db2.gz RFTVTKFIVOSNDR-SFHVURJKSA-N 2 2 328.416 1.284 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[N@@H+]1C1CC1 ZINC000329188920 444495992 /nfs/dbraw/zinc/49/59/92/444495992.db2.gz QPSHCRWNCFEXMW-MCIONIFRSA-N 2 2 327.494 1.158 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[N@H+]1C1CC1 ZINC000329188920 444495995 /nfs/dbraw/zinc/49/59/95/444495995.db2.gz QPSHCRWNCFEXMW-MCIONIFRSA-N 2 2 327.494 1.158 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc(C)[nH+]1 ZINC000332033815 444496710 /nfs/dbraw/zinc/49/67/10/444496710.db2.gz OUOLPAJCGHAGJG-INIZCTEOSA-N 2 2 330.432 1.011 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc(C)[nH+]1 ZINC000332033815 444496716 /nfs/dbraw/zinc/49/67/16/444496716.db2.gz OUOLPAJCGHAGJG-INIZCTEOSA-N 2 2 330.432 1.011 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000581001234 322122660 /nfs/dbraw/zinc/12/26/60/322122660.db2.gz HNPUOOKLQPDZEV-KBAYOESNSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000581001234 322122661 /nfs/dbraw/zinc/12/26/61/322122661.db2.gz HNPUOOKLQPDZEV-KBAYOESNSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000581001234 322122662 /nfs/dbraw/zinc/12/26/62/322122662.db2.gz HNPUOOKLQPDZEV-KBAYOESNSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000581001234 322122663 /nfs/dbraw/zinc/12/26/63/322122663.db2.gz HNPUOOKLQPDZEV-KBAYOESNSA-N 3 2 345.491 1.106 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)n12 ZINC000581251698 322155470 /nfs/dbraw/zinc/15/54/70/322155470.db2.gz FHGHKQQLYDEUIV-STQMWFEESA-N 2 2 340.431 1.059 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)n12 ZINC000581251698 322155472 /nfs/dbraw/zinc/15/54/72/322155472.db2.gz FHGHKQQLYDEUIV-STQMWFEESA-N 2 2 340.431 1.059 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000581734623 322215829 /nfs/dbraw/zinc/21/58/29/322215829.db2.gz RKRDCAFUYHRQKQ-INIZCTEOSA-N 2 2 327.513 1.845 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000581832566 322222160 /nfs/dbraw/zinc/22/21/60/322222160.db2.gz MPLUOEZGSJMAHJ-ZDUSSCGKSA-N 2 2 328.420 1.374 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000581832566 322222162 /nfs/dbraw/zinc/22/21/62/322222162.db2.gz MPLUOEZGSJMAHJ-ZDUSSCGKSA-N 2 2 328.420 1.374 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1CC(C)(C)O ZINC000332256161 444506986 /nfs/dbraw/zinc/50/69/86/444506986.db2.gz CTFVDQGCCMIUHV-CQSZACIVSA-N 2 2 349.479 1.206 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@H+]1CC(C)(C)O ZINC000332256161 444506988 /nfs/dbraw/zinc/50/69/88/444506988.db2.gz CTFVDQGCCMIUHV-CQSZACIVSA-N 2 2 349.479 1.206 20 0 EDADLP COC1(C)CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000342182313 444552423 /nfs/dbraw/zinc/55/24/23/444552423.db2.gz RNCSJKHDLUQJCH-MRXNPFEDSA-N 2 2 346.475 1.620 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)nc[nH+]1 ZINC000333011023 444628554 /nfs/dbraw/zinc/62/85/54/444628554.db2.gz SJJOJXLLNSJMLQ-LSDHHAIUSA-N 2 2 344.463 1.230 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)nc[nH+]1 ZINC000333011023 444628559 /nfs/dbraw/zinc/62/85/59/444628559.db2.gz SJJOJXLLNSJMLQ-LSDHHAIUSA-N 2 2 344.463 1.230 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[nH+]cn1 ZINC000333011023 444628564 /nfs/dbraw/zinc/62/85/64/444628564.db2.gz SJJOJXLLNSJMLQ-LSDHHAIUSA-N 2 2 344.463 1.230 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)[nH+]cn1 ZINC000333011023 444628569 /nfs/dbraw/zinc/62/85/69/444628569.db2.gz SJJOJXLLNSJMLQ-LSDHHAIUSA-N 2 2 344.463 1.230 20 0 EDADLP CC[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000333011650 444628756 /nfs/dbraw/zinc/62/87/56/444628756.db2.gz RPZXXXQGIZBWKB-HOCLYGCPSA-N 2 2 335.452 1.424 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000343802058 444601084 /nfs/dbraw/zinc/60/10/84/444601084.db2.gz JFUGLCCZSHGUNN-SFHVURJKSA-N 2 2 344.503 1.275 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000343802058 444601086 /nfs/dbraw/zinc/60/10/86/444601086.db2.gz JFUGLCCZSHGUNN-SFHVURJKSA-N 2 2 344.503 1.275 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCC[C@@H]1C ZINC000338281556 444609814 /nfs/dbraw/zinc/60/98/14/444609814.db2.gz NWHOKQQTQTYPFG-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCC[C@@H]1C ZINC000338281556 444609818 /nfs/dbraw/zinc/60/98/18/444609818.db2.gz NWHOKQQTQTYPFG-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000338281556 444609821 /nfs/dbraw/zinc/60/98/21/444609821.db2.gz NWHOKQQTQTYPFG-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@H+]1CCCC[C@@H]1C ZINC000338281556 444609825 /nfs/dbraw/zinc/60/98/25/444609825.db2.gz NWHOKQQTQTYPFG-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@H]3CCn4c[nH+]cc4C3)n1)OC2 ZINC000329639227 444660543 /nfs/dbraw/zinc/66/05/43/444660543.db2.gz YZHVNNAZUNHMFX-DXCKQFNASA-N 2 2 329.404 1.922 20 0 EDADLP C[C@]12CCC[N@H+]1C[C@H](c1noc([C@H]3CCn4c[nH+]cc4C3)n1)OC2 ZINC000329639227 444660548 /nfs/dbraw/zinc/66/05/48/444660548.db2.gz YZHVNNAZUNHMFX-DXCKQFNASA-N 2 2 329.404 1.922 20 0 EDADLP COC(=O)c1ccoc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343919615 444668867 /nfs/dbraw/zinc/66/88/67/444668867.db2.gz GPQNVGOVFURABA-GOEBONIOSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1ccoc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343919615 444668870 /nfs/dbraw/zinc/66/88/70/444668870.db2.gz GPQNVGOVFURABA-GOEBONIOSA-N 2 2 335.448 1.524 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329665867 444671763 /nfs/dbraw/zinc/67/17/63/444671763.db2.gz KQJZLNUFZLPSBK-MSOLQXFVSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000329665867 444671765 /nfs/dbraw/zinc/67/17/65/444671765.db2.gz KQJZLNUFZLPSBK-MSOLQXFVSA-N 2 2 328.416 1.956 20 0 EDADLP CCCCN(C)C[C@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000342408959 444679477 /nfs/dbraw/zinc/67/94/77/444679477.db2.gz CRJMFBXFAOJGJZ-INIZCTEOSA-N 2 2 334.512 1.438 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000338472564 444711687 /nfs/dbraw/zinc/71/16/87/444711687.db2.gz AQVNKDXGEOMOPN-GOSISDBHSA-N 2 2 348.491 1.699 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000338472564 444711691 /nfs/dbraw/zinc/71/16/91/444711691.db2.gz AQVNKDXGEOMOPN-GOSISDBHSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333897844 444712508 /nfs/dbraw/zinc/71/25/08/444712508.db2.gz IFCSVTLHDSHMET-LSDHHAIUSA-N 2 2 327.432 1.738 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333919518 444718797 /nfs/dbraw/zinc/71/87/97/444718797.db2.gz PFCKPSHMCAMSPW-IAGOWNOFSA-N 2 2 343.475 1.823 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000334077708 444772373 /nfs/dbraw/zinc/77/23/73/444772373.db2.gz KJCCIMODIWTZJJ-MRXNPFEDSA-N 2 2 349.479 1.862 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000334077708 444772378 /nfs/dbraw/zinc/77/23/78/444772378.db2.gz KJCCIMODIWTZJJ-MRXNPFEDSA-N 2 2 349.479 1.862 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000334126940 444789153 /nfs/dbraw/zinc/78/91/53/444789153.db2.gz QDYRZYNXHFGSHR-AWEZNQCLSA-N 2 2 337.493 1.455 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000334126940 444789156 /nfs/dbraw/zinc/78/91/56/444789156.db2.gz QDYRZYNXHFGSHR-AWEZNQCLSA-N 2 2 337.493 1.455 20 0 EDADLP CC[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000334126940 444789160 /nfs/dbraw/zinc/78/91/60/444789160.db2.gz QDYRZYNXHFGSHR-AWEZNQCLSA-N 2 2 337.493 1.455 20 0 EDADLP CC[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000334126940 444789161 /nfs/dbraw/zinc/78/91/61/444789161.db2.gz QDYRZYNXHFGSHR-AWEZNQCLSA-N 2 2 337.493 1.455 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCSC[C@@H]3CCO)c2cc1C ZINC000336879028 444826409 /nfs/dbraw/zinc/82/64/09/444826409.db2.gz KVGZLQTVBJPXOV-JKSUJKDBSA-N 2 2 349.500 1.814 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCSC[C@@H]3CCO)c2cc1C ZINC000336879028 444826412 /nfs/dbraw/zinc/82/64/12/444826412.db2.gz KVGZLQTVBJPXOV-JKSUJKDBSA-N 2 2 349.500 1.814 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCO1 ZINC000341435898 444829714 /nfs/dbraw/zinc/82/97/14/444829714.db2.gz UPZKSSDIYBERNY-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCO1 ZINC000341435898 444829715 /nfs/dbraw/zinc/82/97/15/444829715.db2.gz UPZKSSDIYBERNY-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000342758815 444851871 /nfs/dbraw/zinc/85/18/71/444851871.db2.gz ODFJWUXXXXPNSV-AEFFLSMTSA-N 2 2 325.497 1.629 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000341477157 444852155 /nfs/dbraw/zinc/85/21/55/444852155.db2.gz IGNDNIXUPNDDTP-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000341477157 444852158 /nfs/dbraw/zinc/85/21/58/444852158.db2.gz IGNDNIXUPNDDTP-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341477157 444852159 /nfs/dbraw/zinc/85/21/59/444852159.db2.gz IGNDNIXUPNDDTP-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341477157 444852162 /nfs/dbraw/zinc/85/21/62/444852162.db2.gz IGNDNIXUPNDDTP-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1c[nH+]c(CN2CC[NH+](CCCOCC(F)(F)F)CC2)n1C ZINC000342779214 444862676 /nfs/dbraw/zinc/86/26/76/444862676.db2.gz BEWGNSHTWYURRI-UHFFFAOYSA-N 2 2 334.386 1.815 20 0 EDADLP Cc1c[nH+]c(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C ZINC000342794654 444870372 /nfs/dbraw/zinc/87/03/72/444870372.db2.gz VAGYAXAZBDQKKS-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1c[nH+]c(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1C ZINC000342794654 444870375 /nfs/dbraw/zinc/87/03/75/444870375.db2.gz VAGYAXAZBDQKKS-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP CO[C@@H]1CC[N@H+](CCCN2C(=O)c3ccccc3C2=O)[C@H](C[NH3+])C1 ZINC000336880535 444828000 /nfs/dbraw/zinc/82/80/00/444828000.db2.gz QUPHKZZCJURIAM-UONOGXRCSA-N 2 2 331.416 1.111 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@H](C[NH3+])C1 ZINC000336880535 444828004 /nfs/dbraw/zinc/82/80/04/444828004.db2.gz QUPHKZZCJURIAM-UONOGXRCSA-N 2 2 331.416 1.111 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)C[C@H]21 ZINC000341544534 444885697 /nfs/dbraw/zinc/88/56/97/444885697.db2.gz CYVWNWAXQXVRNR-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)C[C@H]21 ZINC000341544534 444885701 /nfs/dbraw/zinc/88/57/01/444885701.db2.gz CYVWNWAXQXVRNR-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@H]21 ZINC000341544534 444885703 /nfs/dbraw/zinc/88/57/03/444885703.db2.gz CYVWNWAXQXVRNR-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C[C@H]21 ZINC000341544534 444885706 /nfs/dbraw/zinc/88/57/06/444885706.db2.gz CYVWNWAXQXVRNR-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000344417953 444953985 /nfs/dbraw/zinc/95/39/85/444953985.db2.gz MOIAVARCUJYAHC-OALUTQOASA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000344417953 444953989 /nfs/dbraw/zinc/95/39/89/444953989.db2.gz MOIAVARCUJYAHC-OALUTQOASA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000344417953 444953992 /nfs/dbraw/zinc/95/39/92/444953992.db2.gz MOIAVARCUJYAHC-OALUTQOASA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000344417953 444953996 /nfs/dbraw/zinc/95/39/96/444953996.db2.gz MOIAVARCUJYAHC-OALUTQOASA-N 2 2 345.487 1.734 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)[N@H+](C)C1 ZINC000344508790 445022328 /nfs/dbraw/zinc/02/23/28/445022328.db2.gz JVOCHGJDLDZDAV-VQHPVUNQSA-N 2 2 346.475 1.331 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)[N@@H+](C)C1 ZINC000344508790 445022331 /nfs/dbraw/zinc/02/23/31/445022331.db2.gz JVOCHGJDLDZDAV-VQHPVUNQSA-N 2 2 346.475 1.331 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000341769677 444993281 /nfs/dbraw/zinc/99/32/81/444993281.db2.gz MRRQEEOYRRJFSU-APWZRJJASA-N 2 2 344.503 1.960 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000341769677 444993286 /nfs/dbraw/zinc/99/32/86/444993286.db2.gz MRRQEEOYRRJFSU-APWZRJJASA-N 2 2 344.503 1.960 20 0 EDADLP O=C(CN1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000337228663 444995505 /nfs/dbraw/zinc/99/55/05/444995505.db2.gz TYXRDTSBQZJLDS-KRWDZBQOSA-N 2 2 348.516 1.172 20 0 EDADLP O=C(CN1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000337228663 444995507 /nfs/dbraw/zinc/99/55/07/444995507.db2.gz TYXRDTSBQZJLDS-KRWDZBQOSA-N 2 2 348.516 1.172 20 0 EDADLP C[C@@H]1CN(CC[N@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357923 445047120 /nfs/dbraw/zinc/04/71/20/445047120.db2.gz CYMLIDUADAGXMT-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1CN(CC[N@@H+](C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357923 445047122 /nfs/dbraw/zinc/04/71/22/445047122.db2.gz CYMLIDUADAGXMT-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357923 445047125 /nfs/dbraw/zinc/04/71/25/445047125.db2.gz CYMLIDUADAGXMT-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357923 445047127 /nfs/dbraw/zinc/04/71/27/445047127.db2.gz CYMLIDUADAGXMT-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357923 445047130 /nfs/dbraw/zinc/04/71/30/445047130.db2.gz CYMLIDUADAGXMT-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C[C@@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357923 445047131 /nfs/dbraw/zinc/04/71/31/445047131.db2.gz CYMLIDUADAGXMT-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357923 445047133 /nfs/dbraw/zinc/04/71/33/445047133.db2.gz CYMLIDUADAGXMT-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357923 445047134 /nfs/dbraw/zinc/04/71/34/445047134.db2.gz CYMLIDUADAGXMT-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]21 ZINC000341884757 445052723 /nfs/dbraw/zinc/05/27/23/445052723.db2.gz CYDFFHGQMFQDEJ-VAMGGRTRSA-N 2 2 345.487 1.292 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]21 ZINC000341884757 445052725 /nfs/dbraw/zinc/05/27/25/445052725.db2.gz CYDFFHGQMFQDEJ-VAMGGRTRSA-N 2 2 345.487 1.292 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]21 ZINC000341884757 445052728 /nfs/dbraw/zinc/05/27/28/445052728.db2.gz CYDFFHGQMFQDEJ-VAMGGRTRSA-N 2 2 345.487 1.292 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]21 ZINC000341884757 445052731 /nfs/dbraw/zinc/05/27/31/445052731.db2.gz CYDFFHGQMFQDEJ-VAMGGRTRSA-N 2 2 345.487 1.292 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000339162596 445066911 /nfs/dbraw/zinc/06/69/11/445066911.db2.gz ASFTWUADWQFUEO-QGZVFWFLSA-N 2 2 334.464 1.456 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCC1 ZINC000337548487 445131883 /nfs/dbraw/zinc/13/18/83/445131883.db2.gz PYPWNPBXTFZDQY-UHFFFAOYSA-N 2 2 333.480 1.936 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000344738830 445138150 /nfs/dbraw/zinc/13/81/50/445138150.db2.gz HWYANKMULUSXKY-WMLDXEAASA-N 2 2 333.480 1.356 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000344738830 445138152 /nfs/dbraw/zinc/13/81/52/445138152.db2.gz HWYANKMULUSXKY-WMLDXEAASA-N 2 2 333.480 1.356 20 0 EDADLP c1csc(CC[NH+]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000343142282 445092732 /nfs/dbraw/zinc/09/27/32/445092732.db2.gz SDDKKNRPYYUJMZ-CALCHBBNSA-N 2 2 335.517 1.771 20 0 EDADLP c1csc(CC[NH+]2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000343142282 445092737 /nfs/dbraw/zinc/09/27/37/445092737.db2.gz SDDKKNRPYYUJMZ-CALCHBBNSA-N 2 2 335.517 1.771 20 0 EDADLP CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344660871 445112281 /nfs/dbraw/zinc/11/22/81/445112281.db2.gz ZEYZKLUUBDKUME-LBPRGKRZSA-N 2 2 329.404 1.472 20 0 EDADLP CNC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344660871 445112284 /nfs/dbraw/zinc/11/22/84/445112284.db2.gz ZEYZKLUUBDKUME-LBPRGKRZSA-N 2 2 329.404 1.472 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c[nH+]1 ZINC000337543662 445128954 /nfs/dbraw/zinc/12/89/54/445128954.db2.gz MMCMNCFRAJHBER-HOTGVXAUSA-N 2 2 325.478 1.630 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC[NH+]3CCC3)cc2)C[C@@H](C)O1 ZINC000337609676 445166137 /nfs/dbraw/zinc/16/61/37/445166137.db2.gz XJAHAJRXDLXVAF-HZPDHXFCSA-N 2 2 331.460 1.731 20 0 EDADLP CC(C)c1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000343275378 445173501 /nfs/dbraw/zinc/17/35/01/445173501.db2.gz UCIBQUIXOGETFW-LSDHHAIUSA-N 2 2 333.480 1.965 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)CCO1 ZINC000343385093 445213690 /nfs/dbraw/zinc/21/36/90/445213690.db2.gz BSIMMECDEXRJIT-ONUSSAAZSA-N 2 2 332.448 1.772 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)cn1 ZINC000343402571 445216454 /nfs/dbraw/zinc/21/64/54/445216454.db2.gz XUDVOJDMHSCOPK-YJBOKZPZSA-N 2 2 329.448 1.996 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)cn1 ZINC000343402571 445216455 /nfs/dbraw/zinc/21/64/55/445216455.db2.gz XUDVOJDMHSCOPK-YJBOKZPZSA-N 2 2 329.448 1.996 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000343527741 445239032 /nfs/dbraw/zinc/23/90/32/445239032.db2.gz LHFMVSOSWSRMKF-RDJZCZTQSA-N 2 2 328.464 1.510 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)[C@@H](C)C1 ZINC000343564091 445244807 /nfs/dbraw/zinc/24/48/07/445244807.db2.gz GXHGQLBYBYHIHS-WMZOPIPTSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)[C@@H](C)C1 ZINC000343564091 445244808 /nfs/dbraw/zinc/24/48/08/445244808.db2.gz GXHGQLBYBYHIHS-WMZOPIPTSA-N 3 2 331.508 1.653 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@H+](C)CCc1ccncc1 ZINC000351626776 445247482 /nfs/dbraw/zinc/24/74/82/445247482.db2.gz HCNAKCWCQZPIBK-IAGOWNOFSA-N 2 2 331.439 1.902 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)CCc1ccncc1 ZINC000351626776 445247488 /nfs/dbraw/zinc/24/74/88/445247488.db2.gz HCNAKCWCQZPIBK-IAGOWNOFSA-N 2 2 331.439 1.902 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[N@@H+]1C ZINC000343610577 445262404 /nfs/dbraw/zinc/26/24/04/445262404.db2.gz CXIZBWRMWHAZRV-GDBMZVCRSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[N@H+]1C ZINC000343610577 445262408 /nfs/dbraw/zinc/26/24/08/445262408.db2.gz CXIZBWRMWHAZRV-GDBMZVCRSA-N 2 2 331.464 1.964 20 0 EDADLP CCOC(=O)[C@H](C)[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348096389 445266016 /nfs/dbraw/zinc/26/60/16/445266016.db2.gz ABMPYBDYTNXSNG-BFHYXJOUSA-N 2 2 326.416 1.216 20 0 EDADLP CCOC(=O)[C@H](C)[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348096389 445266018 /nfs/dbraw/zinc/26/60/18/445266018.db2.gz ABMPYBDYTNXSNG-BFHYXJOUSA-N 2 2 326.416 1.216 20 0 EDADLP O[C@@H]1CC[C@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]12 ZINC000351769387 445314961 /nfs/dbraw/zinc/31/49/61/445314961.db2.gz YMDFHIFEDPJSFY-DFQSSKMNSA-N 2 2 329.488 1.901 20 0 EDADLP O[C@@H]1CC[C@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]12 ZINC000351769387 445314964 /nfs/dbraw/zinc/31/49/64/445314964.db2.gz YMDFHIFEDPJSFY-DFQSSKMNSA-N 2 2 329.488 1.901 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348376547 445270207 /nfs/dbraw/zinc/27/02/07/445270207.db2.gz LVDDXCOEEWJMQR-MRXNPFEDSA-N 2 2 327.517 1.044 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348376547 445270208 /nfs/dbraw/zinc/27/02/08/445270208.db2.gz LVDDXCOEEWJMQR-MRXNPFEDSA-N 2 2 327.517 1.044 20 0 EDADLP Cn1nccc1C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000348379425 445271117 /nfs/dbraw/zinc/27/11/17/445271117.db2.gz UUUCKLFTMHBLBK-QGZVFWFLSA-N 2 2 329.448 1.271 20 0 EDADLP Cn1nccc1C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000348379425 445271120 /nfs/dbraw/zinc/27/11/20/445271120.db2.gz UUUCKLFTMHBLBK-QGZVFWFLSA-N 2 2 329.448 1.271 20 0 EDADLP C[C@H](c1cnccn1)[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348126756 445282234 /nfs/dbraw/zinc/28/22/34/445282234.db2.gz YIOGOJCRTFQPGS-KFWWJZLASA-N 2 2 332.427 1.816 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348126756 445282236 /nfs/dbraw/zinc/28/22/36/445282236.db2.gz YIOGOJCRTFQPGS-KFWWJZLASA-N 2 2 332.427 1.816 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348164344 445297842 /nfs/dbraw/zinc/29/78/42/445297842.db2.gz XPFVVBVOUMLGMV-IPMKNSEASA-N 2 2 345.487 1.782 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348164344 445297846 /nfs/dbraw/zinc/29/78/46/445297846.db2.gz XPFVVBVOUMLGMV-IPMKNSEASA-N 2 2 345.487 1.782 20 0 EDADLP C[NH+]1CCC(CNC(=O)NC2(CO)CCC2)([NH+]2CCCCC2)CC1 ZINC000351920168 445376367 /nfs/dbraw/zinc/37/63/67/445376367.db2.gz XSSKUHURJMEJPA-UHFFFAOYSA-N 2 2 338.496 1.151 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000348287737 445339443 /nfs/dbraw/zinc/33/94/43/445339443.db2.gz VWZIHTDADUHMGJ-OTWHNJEPSA-N 2 2 349.519 1.820 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000348287737 445339445 /nfs/dbraw/zinc/33/94/45/445339445.db2.gz VWZIHTDADUHMGJ-OTWHNJEPSA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000348287737 445339447 /nfs/dbraw/zinc/33/94/47/445339447.db2.gz VWZIHTDADUHMGJ-OTWHNJEPSA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000348287737 445339449 /nfs/dbraw/zinc/33/94/49/445339449.db2.gz VWZIHTDADUHMGJ-OTWHNJEPSA-N 2 2 349.519 1.820 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000354694103 445343238 /nfs/dbraw/zinc/34/32/38/445343238.db2.gz SSFCAHQHGRCDHT-DLBZAZTESA-N 2 2 341.496 1.103 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000354694103 445343240 /nfs/dbraw/zinc/34/32/40/445343240.db2.gz SSFCAHQHGRCDHT-DLBZAZTESA-N 2 2 341.496 1.103 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)c1C ZINC000351852302 445343488 /nfs/dbraw/zinc/34/34/88/445343488.db2.gz MSGOVTSGOCPHTG-DGCLKSJQSA-N 2 2 347.488 1.690 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cs2)c1C ZINC000351852302 445343490 /nfs/dbraw/zinc/34/34/90/445343490.db2.gz MSGOVTSGOCPHTG-DGCLKSJQSA-N 2 2 347.488 1.690 20 0 EDADLP Cc1c[nH+]c(N2CCC([NH+](C)C)CC2)nc1N1CCC([NH+](C)C)CC1 ZINC000357105488 445431193 /nfs/dbraw/zinc/43/11/93/445431193.db2.gz ZIJPPCIGZMEPAE-UHFFFAOYSA-N 3 2 346.523 1.846 20 0 EDADLP CN1CC[NH+](CC2CC[NH+](Cc3cc(C(F)(F)F)n[nH]3)CC2)CC1 ZINC000349038613 445484844 /nfs/dbraw/zinc/48/48/44/445484844.db2.gz VUJTXAAASCKLON-UHFFFAOYSA-N 2 2 345.413 1.888 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)Cc1ccccc1 ZINC000359904690 445481380 /nfs/dbraw/zinc/48/13/80/445481380.db2.gz FCEBBAXDIOUXAQ-SFHVURJKSA-N 2 2 345.487 1.530 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](Cc2oncc2C(=O)OC)CC1 ZINC000352024863 445447267 /nfs/dbraw/zinc/44/72/67/445447267.db2.gz JRNKAPUAFBUNLS-UHFFFAOYSA-N 2 2 339.436 1.784 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000352027984 445449271 /nfs/dbraw/zinc/44/92/71/445449271.db2.gz OARRWOFOAVDENX-MRXNPFEDSA-N 2 2 349.479 1.318 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000348967049 445459739 /nfs/dbraw/zinc/45/97/39/445459739.db2.gz UQZDDADZSFMEPC-IBGZPJMESA-N 2 2 345.487 1.931 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000348967049 445459742 /nfs/dbraw/zinc/45/97/42/445459742.db2.gz UQZDDADZSFMEPC-IBGZPJMESA-N 2 2 345.487 1.931 20 0 EDADLP CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000359864793 445466420 /nfs/dbraw/zinc/46/64/20/445466420.db2.gz CNXDACWIOLDPSY-HNNXBMFYSA-N 2 2 349.479 1.683 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000352391465 445525693 /nfs/dbraw/zinc/52/56/93/445525693.db2.gz LPRBPZFVQRIBTF-OAGGEKHMSA-N 2 2 333.480 2.092 20 0 EDADLP CC(C)[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)[NH+]1CCC(C)CC1 ZINC000352398123 445526653 /nfs/dbraw/zinc/52/66/53/445526653.db2.gz NRBUQHDLEVTQCB-QGZVFWFLSA-N 2 2 347.507 2.482 20 0 EDADLP CCCn1nc(C)c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362677271 445494406 /nfs/dbraw/zinc/49/44/06/445494406.db2.gz XPGDTAMURMPXFE-INIZCTEOSA-N 2 2 333.480 1.306 20 0 EDADLP CCCn1nc(C)c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362677271 445494411 /nfs/dbraw/zinc/49/44/11/445494411.db2.gz XPGDTAMURMPXFE-INIZCTEOSA-N 2 2 333.480 1.306 20 0 EDADLP CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362689911 445501765 /nfs/dbraw/zinc/50/17/65/445501765.db2.gz DNHXPPUYUXTSTG-QGZVFWFLSA-N 2 2 331.460 1.870 20 0 EDADLP CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362689911 445501768 /nfs/dbraw/zinc/50/17/68/445501768.db2.gz DNHXPPUYUXTSTG-QGZVFWFLSA-N 2 2 331.460 1.870 20 0 EDADLP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)C1CCN(c2cccc[nH+]2)CC1 ZINC000362690509 445502242 /nfs/dbraw/zinc/50/22/42/445502242.db2.gz UVINRHVFLUPODU-INIZCTEOSA-N 2 2 328.460 1.899 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000362699749 445507418 /nfs/dbraw/zinc/50/74/18/445507418.db2.gz WDFIWNHTDOBKEP-CQSZACIVSA-N 2 2 345.472 1.330 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000362699749 445507422 /nfs/dbraw/zinc/50/74/22/445507422.db2.gz WDFIWNHTDOBKEP-CQSZACIVSA-N 2 2 345.472 1.330 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000362699749 445507425 /nfs/dbraw/zinc/50/74/25/445507425.db2.gz WDFIWNHTDOBKEP-CQSZACIVSA-N 3 2 345.472 1.330 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000362699749 445507426 /nfs/dbraw/zinc/50/74/26/445507426.db2.gz WDFIWNHTDOBKEP-CQSZACIVSA-N 3 2 345.472 1.330 20 0 EDADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000362797607 445553984 /nfs/dbraw/zinc/55/39/84/445553984.db2.gz OQYBJKTWCAJXNY-HKUYNNGSSA-N 2 2 333.451 1.809 20 0 EDADLP Cn1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](CCc4ccccc4)C3)C2)cn1 ZINC000360080408 445557051 /nfs/dbraw/zinc/55/70/51/445557051.db2.gz WDVVJENXUOOPJU-MOPGFXCFSA-N 2 2 339.487 1.905 20 0 EDADLP Cn1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](CCc4ccccc4)C3)C2)cn1 ZINC000360080408 445557055 /nfs/dbraw/zinc/55/70/55/445557055.db2.gz WDVVJENXUOOPJU-MOPGFXCFSA-N 2 2 339.487 1.905 20 0 EDADLP COc1ccc(OCCC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362825064 445567077 /nfs/dbraw/zinc/56/70/77/445567077.db2.gz FCQRKSYHYZDBKP-INIZCTEOSA-N 2 2 347.459 1.360 20 0 EDADLP COc1ccc(OCCC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362825064 445567080 /nfs/dbraw/zinc/56/70/80/445567080.db2.gz FCQRKSYHYZDBKP-INIZCTEOSA-N 2 2 347.459 1.360 20 0 EDADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362828904 445569988 /nfs/dbraw/zinc/56/99/88/445569988.db2.gz FBFGDHUWEVVWRG-NVXWUHKLSA-N 2 2 344.459 1.218 20 0 EDADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362828904 445569991 /nfs/dbraw/zinc/56/99/91/445569991.db2.gz FBFGDHUWEVVWRG-NVXWUHKLSA-N 2 2 344.459 1.218 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cn2c1 ZINC000362831343 445571840 /nfs/dbraw/zinc/57/18/40/445571840.db2.gz PNAAHJXHKSAPGP-INIZCTEOSA-N 2 2 327.432 1.039 20 0 EDADLP Cc1ccc2nc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cn2c1 ZINC000362831343 445571842 /nfs/dbraw/zinc/57/18/42/445571842.db2.gz PNAAHJXHKSAPGP-INIZCTEOSA-N 2 2 327.432 1.039 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000360117500 445576686 /nfs/dbraw/zinc/57/66/86/445576686.db2.gz DMLYVDWGKCPFTL-WMZOPIPTSA-N 2 2 330.476 1.013 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000360117500 445576689 /nfs/dbraw/zinc/57/66/89/445576689.db2.gz DMLYVDWGKCPFTL-WMZOPIPTSA-N 2 2 330.476 1.013 20 0 EDADLP CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000356038338 445583821 /nfs/dbraw/zinc/58/38/21/445583821.db2.gz SCKUZOFWLSWTKR-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000356038338 445583823 /nfs/dbraw/zinc/58/38/23/445583823.db2.gz SCKUZOFWLSWTKR-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355942304 445538508 /nfs/dbraw/zinc/53/85/08/445538508.db2.gz QPDPQKKLKBDHDO-JKSUJKDBSA-N 2 2 332.448 1.330 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355942304 445538512 /nfs/dbraw/zinc/53/85/12/445538512.db2.gz QPDPQKKLKBDHDO-JKSUJKDBSA-N 2 2 332.448 1.330 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000357312030 445542955 /nfs/dbraw/zinc/54/29/55/445542955.db2.gz UIFTXFXKWPTIHY-QGZVFWFLSA-N 2 2 330.432 1.780 20 0 EDADLP COc1ncccc1CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000353548780 445652725 /nfs/dbraw/zinc/65/27/25/445652725.db2.gz NFPDLBGTWQJPFY-UHFFFAOYSA-N 2 2 348.491 1.019 20 0 EDADLP COc1ncccc1CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000353548780 445652728 /nfs/dbraw/zinc/65/27/28/445652728.db2.gz NFPDLBGTWQJPFY-UHFFFAOYSA-N 2 2 348.491 1.019 20 0 EDADLP CC(C)[N@@H+](CCO)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000356227606 445686289 /nfs/dbraw/zinc/68/62/89/445686289.db2.gz WFUKTJWETNLWJP-KRWDZBQOSA-N 2 2 333.476 1.595 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000356235760 445691302 /nfs/dbraw/zinc/69/13/02/445691302.db2.gz LVDVHAFUKCYRCZ-WBVHZDCISA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000356235760 445691307 /nfs/dbraw/zinc/69/13/07/445691307.db2.gz LVDVHAFUKCYRCZ-WBVHZDCISA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC000356271700 445711578 /nfs/dbraw/zinc/71/15/78/445711578.db2.gz UTWGDUIEGWCTFN-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC000356271700 445711581 /nfs/dbraw/zinc/71/15/81/445711581.db2.gz UTWGDUIEGWCTFN-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)c1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nc(N(C)C)[nH+]1 ZINC000361151376 445750750 /nfs/dbraw/zinc/75/07/50/445750750.db2.gz UEJIXLLGOAJDRC-KRWDZBQOSA-N 2 2 348.539 2.350 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000358740991 445753641 /nfs/dbraw/zinc/75/36/41/445753641.db2.gz DBSSQLMSKCEZKY-NSHDSACASA-N 2 2 341.253 1.269 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000363290687 445753897 /nfs/dbraw/zinc/75/38/97/445753897.db2.gz FRVPULKUKHTMBD-HOCLYGCPSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000363290687 445753903 /nfs/dbraw/zinc/75/39/03/445753903.db2.gz FRVPULKUKHTMBD-HOCLYGCPSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cncn3C)CC2)C[C@H](C)O1 ZINC000358862742 445817203 /nfs/dbraw/zinc/81/72/03/445817203.db2.gz BFLZZZQUIYITAJ-IYBDPMFKSA-N 2 2 336.480 1.510 20 0 EDADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cncn3C)CC2)C[C@H](C)O1 ZINC000358862742 445817205 /nfs/dbraw/zinc/81/72/05/445817205.db2.gz BFLZZZQUIYITAJ-IYBDPMFKSA-N 2 2 336.480 1.510 20 0 EDADLP C[C@@H](C(=O)NCCC[NH+](C)CCN(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000356499061 445824737 /nfs/dbraw/zinc/82/47/37/445824737.db2.gz APCKGKGWWOQVSC-KRWDZBQOSA-N 2 2 346.519 1.433 20 0 EDADLP C[C@@H](C(=O)NCCC[NH+](C)CCN(C)C)[N@H+]1CCc2ccccc2C1 ZINC000356499061 445824741 /nfs/dbraw/zinc/82/47/41/445824741.db2.gz APCKGKGWWOQVSC-KRWDZBQOSA-N 2 2 346.519 1.433 20 0 EDADLP C[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000356499061 445824756 /nfs/dbraw/zinc/82/47/56/445824756.db2.gz APCKGKGWWOQVSC-KRWDZBQOSA-N 2 2 346.519 1.433 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363402967 445789694 /nfs/dbraw/zinc/78/96/94/445789694.db2.gz UDLFWPUHHYEHPM-INIZCTEOSA-N 2 2 342.447 1.527 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363402967 445789697 /nfs/dbraw/zinc/78/96/97/445789697.db2.gz UDLFWPUHHYEHPM-INIZCTEOSA-N 2 2 342.447 1.527 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000363422883 445797491 /nfs/dbraw/zinc/79/74/91/445797491.db2.gz JKXRXLSSKDCEAF-PVAVHDDUSA-N 2 2 342.443 1.954 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000363422883 445797492 /nfs/dbraw/zinc/79/74/92/445797492.db2.gz JKXRXLSSKDCEAF-PVAVHDDUSA-N 2 2 342.443 1.954 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000354017440 445856868 /nfs/dbraw/zinc/85/68/68/445856868.db2.gz JXABLOHVLHLKLT-RHSMWYFYSA-N 2 2 334.464 1.259 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c[nH]1 ZINC000354017440 445856870 /nfs/dbraw/zinc/85/68/70/445856870.db2.gz JXABLOHVLHLKLT-RHSMWYFYSA-N 2 2 334.464 1.259 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c(C)c1 ZINC000582058343 325762765 /nfs/dbraw/zinc/76/27/65/325762765.db2.gz XLLQJPJDIXNCHQ-FUHWJXTLSA-N 2 2 336.476 1.601 20 0 EDADLP COC(=O)CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361750292 445915205 /nfs/dbraw/zinc/91/52/05/445915205.db2.gz MUCIYKTWAFGRNM-UHFFFAOYSA-N 2 2 328.416 1.471 20 0 EDADLP CC(C)[C@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000373004253 445968762 /nfs/dbraw/zinc/96/87/62/445968762.db2.gz BIIMRUARHSNHSA-ZWKOTPCHSA-N 2 2 337.508 1.722 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000359163085 445991215 /nfs/dbraw/zinc/99/12/15/445991215.db2.gz DCPKLLQRIKUSKA-KRWDZBQOSA-N 2 2 345.491 1.956 20 0 EDADLP C[C@H]1CN(C(=O)NCCCn2cccn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000365049564 445992067 /nfs/dbraw/zinc/99/20/67/445992067.db2.gz UAOKTOJJLUVOSY-INIZCTEOSA-N 2 2 348.495 1.083 20 0 EDADLP C[C@H]1CN(C(=O)NCCCn2cccn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000365049564 445992073 /nfs/dbraw/zinc/99/20/73/445992073.db2.gz UAOKTOJJLUVOSY-INIZCTEOSA-N 2 2 348.495 1.083 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000366112362 446021320 /nfs/dbraw/zinc/02/13/20/446021320.db2.gz GWONQSKZDHBJEY-CQSZACIVSA-N 2 2 345.447 1.942 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000366112362 446021325 /nfs/dbraw/zinc/02/13/25/446021325.db2.gz GWONQSKZDHBJEY-CQSZACIVSA-N 2 2 345.447 1.942 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369218541 446000501 /nfs/dbraw/zinc/00/05/01/446000501.db2.gz JCPLGTLUINTTFY-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369218541 446000505 /nfs/dbraw/zinc/00/05/05/446000505.db2.gz JCPLGTLUINTTFY-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000369218541 446000508 /nfs/dbraw/zinc/00/05/08/446000508.db2.gz JCPLGTLUINTTFY-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000369218541 446000513 /nfs/dbraw/zinc/00/05/13/446000513.db2.gz JCPLGTLUINTTFY-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+](CCNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1)Cc1ccccc1 ZINC000366081463 446001367 /nfs/dbraw/zinc/00/13/67/446001367.db2.gz SENUZGJAKLNWDC-SFHVURJKSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@@H+](CCNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1)Cc1ccccc1 ZINC000366081463 446001376 /nfs/dbraw/zinc/00/13/76/446001376.db2.gz SENUZGJAKLNWDC-SFHVURJKSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)Cc1ccccc1 ZINC000366081463 446001382 /nfs/dbraw/zinc/00/13/82/446001382.db2.gz SENUZGJAKLNWDC-SFHVURJKSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)Cc1ccccc1 ZINC000366081463 446001390 /nfs/dbraw/zinc/00/13/90/446001390.db2.gz SENUZGJAKLNWDC-SFHVURJKSA-N 2 2 346.475 1.281 20 0 EDADLP CC(C)C[C@@H](C[NH2+]CCC(=O)NC(N)=O)[NH2+][C@@H](C)c1ccccc1 ZINC000583317558 326048180 /nfs/dbraw/zinc/04/81/80/326048180.db2.gz NHOGZGBFKRGUAH-HOCLYGCPSA-N 2 2 334.464 1.927 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cccc(OC(F)F)c2)C[C@@H](C)O1 ZINC000583376468 326060681 /nfs/dbraw/zinc/06/06/81/326060681.db2.gz PDLYRUQUXSFGBC-NFAWXSAZSA-N 2 2 344.402 1.848 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccncc3F)CC2)CC1 ZINC000583434185 326071714 /nfs/dbraw/zinc/07/17/14/326071714.db2.gz NXDUPXRYNAHORP-UHFFFAOYSA-N 2 2 349.454 1.667 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccncc3F)CC2)CC1 ZINC000583434185 326071717 /nfs/dbraw/zinc/07/17/17/326071717.db2.gz NXDUPXRYNAHORP-UHFFFAOYSA-N 2 2 349.454 1.667 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]2C(=O)Nc3ccccc32)C[C@H](C)O1 ZINC000583495122 326083480 /nfs/dbraw/zinc/08/34/80/326083480.db2.gz QOMAJZWGEMBTTG-JYYAWHABSA-N 2 2 347.459 1.172 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC[C@H]2C(=O)Nc3ccccc32)C[C@H](C)O1 ZINC000583495122 326083482 /nfs/dbraw/zinc/08/34/82/326083482.db2.gz QOMAJZWGEMBTTG-JYYAWHABSA-N 2 2 347.459 1.172 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000583640090 326111116 /nfs/dbraw/zinc/11/11/16/326111116.db2.gz AXMCWBNJIIUJOX-OAHLLOKOSA-N 2 2 349.479 1.283 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000583801411 326141313 /nfs/dbraw/zinc/14/13/13/326141313.db2.gz BBWQSWSLMDVSJY-ZWKOTPCHSA-N 2 2 346.475 1.420 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000583872458 326157377 /nfs/dbraw/zinc/15/73/77/326157377.db2.gz JTXUCNZLTCTRJI-OAHLLOKOSA-N 2 2 327.432 1.159 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000583872458 326157381 /nfs/dbraw/zinc/15/73/81/326157381.db2.gz JTXUCNZLTCTRJI-OAHLLOKOSA-N 2 2 327.432 1.159 20 0 EDADLP Cc1ncncc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000584004402 326182963 /nfs/dbraw/zinc/18/29/63/326182963.db2.gz KDQOJCFXDPYRIN-WZYMTQMTSA-N 2 2 331.464 1.519 20 0 EDADLP Cc1ncncc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000584004402 326182965 /nfs/dbraw/zinc/18/29/65/326182965.db2.gz KDQOJCFXDPYRIN-WZYMTQMTSA-N 2 2 331.464 1.519 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C2)C1 ZINC000366178419 446065818 /nfs/dbraw/zinc/06/58/18/446065818.db2.gz NYTYVZHJHKNYPT-IBGZPJMESA-N 2 2 343.475 1.919 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354265343 446060953 /nfs/dbraw/zinc/06/09/53/446060953.db2.gz OEXPMWILFZLUTJ-OAHLLOKOSA-N 2 2 336.484 1.530 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000354265343 446060958 /nfs/dbraw/zinc/06/09/58/446060958.db2.gz OEXPMWILFZLUTJ-OAHLLOKOSA-N 2 2 336.484 1.530 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C2)C1 ZINC000366178420 446065892 /nfs/dbraw/zinc/06/58/92/446065892.db2.gz NYTYVZHJHKNYPT-LJQANCHMSA-N 2 2 343.475 1.919 20 0 EDADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000354270062 446066186 /nfs/dbraw/zinc/06/61/86/446066186.db2.gz XDVXIQROCXXZFZ-QGZVFWFLSA-N 2 2 326.444 1.884 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000354270062 446066191 /nfs/dbraw/zinc/06/61/91/446066191.db2.gz XDVXIQROCXXZFZ-QGZVFWFLSA-N 2 2 326.444 1.884 20 0 EDADLP CN(C(=O)Cc1ccccc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365229457 446088885 /nfs/dbraw/zinc/08/88/85/446088885.db2.gz TVQCSINXDUDAOF-QGZVFWFLSA-N 2 2 333.451 1.995 20 0 EDADLP CN(C(=O)Cc1ccccc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365229457 446088891 /nfs/dbraw/zinc/08/88/91/446088891.db2.gz TVQCSINXDUDAOF-QGZVFWFLSA-N 2 2 333.451 1.995 20 0 EDADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359305033 446137803 /nfs/dbraw/zinc/13/78/03/446137803.db2.gz LNBLQPUPVUVQQF-VXGBXAGGSA-N 2 2 325.815 1.589 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000359308956 446139852 /nfs/dbraw/zinc/13/98/52/446139852.db2.gz QMINYXVQOPYSGF-OALUTQOASA-N 3 2 342.487 1.050 20 0 EDADLP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000365252820 446102621 /nfs/dbraw/zinc/10/26/21/446102621.db2.gz CAYLDNRMXAGMJB-HNNXBMFYSA-N 2 2 342.480 1.266 20 0 EDADLP CCC(CC)[C@@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369369246 446108507 /nfs/dbraw/zinc/10/85/07/446108507.db2.gz FQBXFXWCQCYBSW-WBVHZDCISA-N 2 2 340.512 1.251 20 0 EDADLP CCC(CC)[C@@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369369246 446108511 /nfs/dbraw/zinc/10/85/11/446108511.db2.gz FQBXFXWCQCYBSW-WBVHZDCISA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)CC1 ZINC000366338856 446162735 /nfs/dbraw/zinc/16/27/35/446162735.db2.gz HRYBDPGKSWQFSO-KRWDZBQOSA-N 2 2 349.450 1.581 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)CC1 ZINC000366338856 446162739 /nfs/dbraw/zinc/16/27/39/446162739.db2.gz HRYBDPGKSWQFSO-KRWDZBQOSA-N 2 2 349.450 1.581 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1CC ZINC000370020095 446174240 /nfs/dbraw/zinc/17/42/40/446174240.db2.gz SDETZAKNXIKMAJ-JKSUJKDBSA-N 2 2 334.464 1.720 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCCn3cc[nH+]c32)C[C@@H]1CC ZINC000370020095 446174244 /nfs/dbraw/zinc/17/42/44/446174244.db2.gz SDETZAKNXIKMAJ-JKSUJKDBSA-N 2 2 334.464 1.720 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](CO)[C@H](C)C3)CC2)c1 ZINC000362055003 446180528 /nfs/dbraw/zinc/18/05/28/446180528.db2.gz LYZGXJNLNUVKLA-IEBWSBKVSA-N 2 2 345.487 1.199 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](CO)[C@H](C)C3)CC2)c1 ZINC000362055003 446180531 /nfs/dbraw/zinc/18/05/31/446180531.db2.gz LYZGXJNLNUVKLA-IEBWSBKVSA-N 2 2 345.487 1.199 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000359386735 446191191 /nfs/dbraw/zinc/19/11/91/446191191.db2.gz LLSVMRCVNNEIGK-DZGCQCFKSA-N 2 2 341.477 1.095 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000359386735 446191198 /nfs/dbraw/zinc/19/11/98/446191198.db2.gz LLSVMRCVNNEIGK-DZGCQCFKSA-N 2 2 341.477 1.095 20 0 EDADLP c1cc(O[C@@H]2CCN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)cc[nH+]1 ZINC000369671684 446144171 /nfs/dbraw/zinc/14/41/71/446144171.db2.gz VJKYENUSOKRGFD-GDBMZVCRSA-N 2 2 341.415 2.120 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000356955395 446155776 /nfs/dbraw/zinc/15/57/76/446155776.db2.gz QGJOPWHCQRTCTR-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000356955395 446155783 /nfs/dbraw/zinc/15/57/83/446155783.db2.gz QGJOPWHCQRTCTR-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)no1 ZINC000359390787 446195002 /nfs/dbraw/zinc/19/50/02/446195002.db2.gz NCMOPXVCFFTXOS-GFCCVEGCSA-N 2 2 345.447 1.975 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)c1 ZINC000359408689 446207582 /nfs/dbraw/zinc/20/75/82/446207582.db2.gz IZHJQWJZOSTPPB-UHFFFAOYSA-N 2 2 329.404 1.402 20 0 EDADLP Cc1c(/C=C/C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000362132152 446228340 /nfs/dbraw/zinc/22/83/40/446228340.db2.gz RWNZMEIRBYVJIO-QWNKOJSDSA-N 2 2 345.491 1.369 20 0 EDADLP Cc1c(/C=C/C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000362132152 446228345 /nfs/dbraw/zinc/22/83/45/446228345.db2.gz RWNZMEIRBYVJIO-QWNKOJSDSA-N 2 2 345.491 1.369 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc[nH+]1 ZINC000365496165 446231853 /nfs/dbraw/zinc/23/18/53/446231853.db2.gz UHAXONHTWQIRJW-CLROSIBMSA-N 2 2 331.464 1.890 20 0 EDADLP CC(C)CC[C@H](O)C[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000366497181 446238253 /nfs/dbraw/zinc/23/82/53/446238253.db2.gz ZFTHHORTACRBQO-OKZBNKHCSA-N 2 2 327.513 1.120 20 0 EDADLP CC(C)CC[C@H](O)C[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000366497181 446238255 /nfs/dbraw/zinc/23/82/55/446238255.db2.gz ZFTHHORTACRBQO-OKZBNKHCSA-N 2 2 327.513 1.120 20 0 EDADLP CC(C)CC[C@H](O)C[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000366497181 446238257 /nfs/dbraw/zinc/23/82/57/446238257.db2.gz ZFTHHORTACRBQO-OKZBNKHCSA-N 2 2 327.513 1.120 20 0 EDADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cnc4cnccn34)CCC[N@@H+]2C)cn1 ZINC000362154529 446239521 /nfs/dbraw/zinc/23/95/21/446239521.db2.gz IQDOMSNZVTWINX-KDOFPFPSSA-N 2 2 339.447 1.636 20 0 EDADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cnc4cnccn34)CCC[N@H+]2C)cn1 ZINC000362154529 446239524 /nfs/dbraw/zinc/23/95/24/446239524.db2.gz IQDOMSNZVTWINX-KDOFPFPSSA-N 2 2 339.447 1.636 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365552520 446252045 /nfs/dbraw/zinc/25/20/45/446252045.db2.gz YWLIGTFWOXRQNR-KZNAEPCWSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365552520 446252048 /nfs/dbraw/zinc/25/20/48/446252048.db2.gz YWLIGTFWOXRQNR-KZNAEPCWSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365552520 446252052 /nfs/dbraw/zinc/25/20/52/446252052.db2.gz YWLIGTFWOXRQNR-KZNAEPCWSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365552520 446252056 /nfs/dbraw/zinc/25/20/56/446252056.db2.gz YWLIGTFWOXRQNR-KZNAEPCWSA-N 2 2 337.508 1.581 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000365641454 446284602 /nfs/dbraw/zinc/28/46/02/446284602.db2.gz XOVSNTPWHABSAY-GOSISDBHSA-N 2 2 349.450 1.581 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000365641454 446284604 /nfs/dbraw/zinc/28/46/04/446284604.db2.gz XOVSNTPWHABSAY-GOSISDBHSA-N 2 2 349.450 1.581 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000365641454 446284607 /nfs/dbraw/zinc/28/46/07/446284607.db2.gz XOVSNTPWHABSAY-GOSISDBHSA-N 2 2 349.450 1.581 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000365641454 446284609 /nfs/dbraw/zinc/28/46/09/446284609.db2.gz XOVSNTPWHABSAY-GOSISDBHSA-N 2 2 349.450 1.581 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](C)CS(C)(=O)=O)[nH+]1 ZINC000370466047 446292014 /nfs/dbraw/zinc/29/20/14/446292014.db2.gz WGDGQNPLISXHSU-ZFWWWQNUSA-N 2 2 325.478 1.947 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](C)CS(C)(=O)=O)[nH+]1 ZINC000370466047 446292016 /nfs/dbraw/zinc/29/20/16/446292016.db2.gz WGDGQNPLISXHSU-ZFWWWQNUSA-N 2 2 325.478 1.947 20 0 EDADLP COCCc1noc(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000366667437 446301746 /nfs/dbraw/zinc/30/17/46/446301746.db2.gz FIBRNENYSMBKBJ-CQSZACIVSA-N 2 2 331.420 1.896 20 0 EDADLP COCCc1noc(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000366667437 446301750 /nfs/dbraw/zinc/30/17/50/446301750.db2.gz FIBRNENYSMBKBJ-CQSZACIVSA-N 2 2 331.420 1.896 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000366672636 446304060 /nfs/dbraw/zinc/30/40/60/446304060.db2.gz CEXFNMRHAFWYLI-AEFFLSMTSA-N 2 2 346.475 1.271 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000366672636 446304062 /nfs/dbraw/zinc/30/40/62/446304062.db2.gz CEXFNMRHAFWYLI-AEFFLSMTSA-N 2 2 346.475 1.271 20 0 EDADLP O=C1C[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)[C@@H]2CCCCN12 ZINC000370542598 446325082 /nfs/dbraw/zinc/32/50/82/446325082.db2.gz SIRASEIZTIGYQZ-GJZGRUSLSA-N 2 2 349.398 1.776 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000417467778 446352700 /nfs/dbraw/zinc/35/27/00/446352700.db2.gz MZBXNMXYNFIDCP-NSHDSACASA-N 2 2 333.358 1.729 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000376249952 446399282 /nfs/dbraw/zinc/39/92/82/446399282.db2.gz KZVCXMIQSLMNHV-RDJZCZTQSA-N 2 2 338.496 1.223 20 0 EDADLP CCCCNc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc(N)[nH+]1 ZINC000376176287 446368136 /nfs/dbraw/zinc/36/81/36/446368136.db2.gz WGPPWEGLHHAZLG-OAHLLOKOSA-N 2 2 347.511 1.487 20 0 EDADLP CCCCNc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)nc(N)[nH+]1 ZINC000376176287 446368142 /nfs/dbraw/zinc/36/81/42/446368142.db2.gz WGPPWEGLHHAZLG-OAHLLOKOSA-N 2 2 347.511 1.487 20 0 EDADLP OCCC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCC1 ZINC000370660923 446376830 /nfs/dbraw/zinc/37/68/30/446376830.db2.gz OLDKLTNMGLYAOH-UHFFFAOYSA-N 2 2 339.524 1.315 20 0 EDADLP OCCC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCC1 ZINC000370660923 446376836 /nfs/dbraw/zinc/37/68/36/446376836.db2.gz OLDKLTNMGLYAOH-UHFFFAOYSA-N 2 2 339.524 1.315 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417960023 446400210 /nfs/dbraw/zinc/40/02/10/446400210.db2.gz XFEVUWJTZAALOR-PMPSAXMXSA-N 2 2 340.418 1.993 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417960023 446400214 /nfs/dbraw/zinc/40/02/14/446400214.db2.gz XFEVUWJTZAALOR-PMPSAXMXSA-N 2 2 340.418 1.993 20 0 EDADLP CCn1nncc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000417902642 446381756 /nfs/dbraw/zinc/38/17/56/446381756.db2.gz XJTFLBJGBPSMEN-UHFFFAOYSA-N 2 2 345.447 1.299 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417946425 446394124 /nfs/dbraw/zinc/39/41/24/446394124.db2.gz FFZVNVBNECLLGT-UONOGXRCSA-N 2 2 326.391 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417946425 446394129 /nfs/dbraw/zinc/39/41/29/446394129.db2.gz FFZVNVBNECLLGT-UONOGXRCSA-N 2 2 326.391 1.747 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420246013 446428439 /nfs/dbraw/zinc/42/84/39/446428439.db2.gz MIBNQUBWZFYQGT-CYBMUJFWSA-N 2 2 333.411 1.536 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000370771840 446430439 /nfs/dbraw/zinc/43/04/39/446430439.db2.gz ILRXNINUMUXAJV-SFHVURJKSA-N 2 2 334.439 1.848 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000423154864 446441367 /nfs/dbraw/zinc/44/13/67/446441367.db2.gz KEOKHFIZJCHORW-WBTNSWJXSA-N 2 2 331.460 1.709 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423162596 446443115 /nfs/dbraw/zinc/44/31/15/446443115.db2.gz UEGXNHNAXCJHBZ-BZUAXINKSA-N 2 2 325.478 1.397 20 0 EDADLP C[N@H+](C[C@H]1CC12CCN(C(=O)C(C)(C)[NH+]1CCOCC1)CC2)C1CC1 ZINC000374903765 446447472 /nfs/dbraw/zinc/44/74/72/446447472.db2.gz QZULTGZXTFIMEZ-MRXNPFEDSA-N 2 2 349.519 1.820 20 0 EDADLP C[N@@H+](C[C@H]1CC12CCN(C(=O)C(C)(C)[NH+]1CCOCC1)CC2)C1CC1 ZINC000374903765 446447480 /nfs/dbraw/zinc/44/74/80/446447480.db2.gz QZULTGZXTFIMEZ-MRXNPFEDSA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000366937380 446417731 /nfs/dbraw/zinc/41/77/31/446417731.db2.gz CVTAVGAOJCJFCM-HZPDHXFCSA-N 2 2 338.496 1.080 20 0 EDADLP Cc1cc(Br)cn2cc(CNC(=O)NCCC[NH3+])[nH+]c12 ZINC000418032617 446421408 /nfs/dbraw/zinc/42/14/08/446421408.db2.gz UWGIJEYYQQUUEV-UHFFFAOYSA-N 2 2 340.225 1.553 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420292246 446455701 /nfs/dbraw/zinc/45/57/01/446455701.db2.gz OTVBWJFDTIHHFK-UHFFFAOYSA-N 2 2 349.431 1.242 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411269413 446456890 /nfs/dbraw/zinc/45/68/90/446456890.db2.gz HVHSPAGMNHNVDF-HNNXBMFYSA-N 2 2 332.448 1.888 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411269413 446456892 /nfs/dbraw/zinc/45/68/92/446456892.db2.gz HVHSPAGMNHNVDF-HNNXBMFYSA-N 2 2 332.448 1.888 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000420294109 446457069 /nfs/dbraw/zinc/45/70/69/446457069.db2.gz SJZQOZWVPGDIFE-ZFWWWQNUSA-N 2 2 333.432 1.779 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000420294109 446457075 /nfs/dbraw/zinc/45/70/75/446457075.db2.gz SJZQOZWVPGDIFE-ZFWWWQNUSA-N 2 2 333.432 1.779 20 0 EDADLP COc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821562 446461514 /nfs/dbraw/zinc/46/15/14/446461514.db2.gz VCWMYQGBLAJNHF-INIZCTEOSA-N 2 2 331.460 1.936 20 0 EDADLP COc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821562 446461521 /nfs/dbraw/zinc/46/15/21/446461521.db2.gz VCWMYQGBLAJNHF-INIZCTEOSA-N 2 2 331.460 1.936 20 0 EDADLP CN(C(=O)[C@@H]1CC1(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839475 446472953 /nfs/dbraw/zinc/47/29/53/446472953.db2.gz QIWIZWOWAAIVAQ-STQMWFEESA-N 2 2 334.291 1.807 20 0 EDADLP CN(C(=O)[C@@H]1CC1(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839475 446472960 /nfs/dbraw/zinc/47/29/60/446472960.db2.gz QIWIZWOWAAIVAQ-STQMWFEESA-N 2 2 334.291 1.807 20 0 EDADLP COC[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[NH2+]C1 ZINC000423298711 446477354 /nfs/dbraw/zinc/47/73/54/446477354.db2.gz ABFXNYDICPRUPO-SFHVURJKSA-N 2 2 332.448 1.314 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)[C@H](C)[NH3+] ZINC000423324067 446487894 /nfs/dbraw/zinc/48/78/94/446487894.db2.gz HVJXBKGEYKTSNN-JTOWHCCKSA-N 2 2 348.491 1.931 20 0 EDADLP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000420324793 446491890 /nfs/dbraw/zinc/49/18/90/446491890.db2.gz ZZNDSWYQAOXWSR-WMZOPIPTSA-N 2 2 330.476 1.610 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]12CCOC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000367060336 446496261 /nfs/dbraw/zinc/49/62/61/446496261.db2.gz BHOFVEZCTMIOPH-SFHVURJKSA-N 2 2 349.500 1.647 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]12CCOC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000367060336 446496264 /nfs/dbraw/zinc/49/62/64/446496264.db2.gz BHOFVEZCTMIOPH-SFHVURJKSA-N 2 2 349.500 1.647 20 0 EDADLP O=S1(=O)NC(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)=Nc2ccccc21 ZINC000420333836 446502966 /nfs/dbraw/zinc/50/29/66/446502966.db2.gz TUMRSAFYDOUXRY-KBPBESRZSA-N 2 2 348.472 1.330 20 0 EDADLP O=S1(=O)NC(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)=Nc2ccccc21 ZINC000420333836 446502972 /nfs/dbraw/zinc/50/29/72/446502972.db2.gz TUMRSAFYDOUXRY-KBPBESRZSA-N 2 2 348.472 1.330 20 0 EDADLP C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)C(=O)N1CCCCC1 ZINC000420382739 446558746 /nfs/dbraw/zinc/55/87/46/446558746.db2.gz ZZDXDMJTTDTITQ-GOEBONIOSA-N 2 2 338.496 1.001 20 0 EDADLP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000423533355 446565938 /nfs/dbraw/zinc/56/59/38/446565938.db2.gz XMCCYQFIOCJMKI-BHKQZPHESA-N 3 2 333.520 1.887 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359956 446539264 /nfs/dbraw/zinc/53/92/64/446539264.db2.gz WMWNJCWJITUKDS-SQWLQELKSA-N 2 2 329.444 1.657 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359956 446539269 /nfs/dbraw/zinc/53/92/69/446539269.db2.gz WMWNJCWJITUKDS-SQWLQELKSA-N 2 2 329.444 1.657 20 0 EDADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359766 446539644 /nfs/dbraw/zinc/53/96/44/446539644.db2.gz WBIIZSOYCSMCRQ-YJBOKZPZSA-N 2 2 341.455 1.532 20 0 EDADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359766 446539653 /nfs/dbraw/zinc/53/96/53/446539653.db2.gz WBIIZSOYCSMCRQ-YJBOKZPZSA-N 2 2 341.455 1.532 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420391323 446567706 /nfs/dbraw/zinc/56/77/06/446567706.db2.gz APTXWFQAUUVAGM-WMLDXEAASA-N 2 2 333.476 1.715 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420391323 446567709 /nfs/dbraw/zinc/56/77/09/446567709.db2.gz APTXWFQAUUVAGM-WMLDXEAASA-N 2 2 333.476 1.715 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000420370078 446548509 /nfs/dbraw/zinc/54/85/09/446548509.db2.gz CEKARCPNYWXISE-UONOGXRCSA-N 2 2 339.867 1.752 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000420370078 446548517 /nfs/dbraw/zinc/54/85/17/446548517.db2.gz CEKARCPNYWXISE-UONOGXRCSA-N 2 2 339.867 1.752 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000420376523 446554389 /nfs/dbraw/zinc/55/43/89/446554389.db2.gz PFPRYFMLEWCDAS-VQIMIIECSA-N 2 2 329.444 1.876 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000420376523 446554394 /nfs/dbraw/zinc/55/43/94/446554394.db2.gz PFPRYFMLEWCDAS-VQIMIIECSA-N 2 2 329.444 1.876 20 0 EDADLP C[C@H]([NH3+])CN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420376385 446555702 /nfs/dbraw/zinc/55/57/02/446555702.db2.gz QTCCNJFRRVEOJC-WMZOPIPTSA-N 2 2 330.476 1.142 20 0 EDADLP C[C@H](NC(=O)NCc1c[nH+]c2n1CCCC2)[C@H](C)[NH+]1CCOCC1 ZINC000375169090 446620097 /nfs/dbraw/zinc/62/00/97/446620097.db2.gz USFBUMKDRCOQKQ-KBPBESRZSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@@H]1C[NH3+] ZINC000420407190 446580043 /nfs/dbraw/zinc/58/00/43/446580043.db2.gz OEANIEBBWOBXHY-HIFRSBDPSA-N 2 2 344.459 1.434 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@@H]1C[NH3+] ZINC000420407190 446580048 /nfs/dbraw/zinc/58/00/48/446580048.db2.gz OEANIEBBWOBXHY-HIFRSBDPSA-N 2 2 344.459 1.434 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418529253 446582030 /nfs/dbraw/zinc/58/20/30/446582030.db2.gz SYMOGHXICUUSAF-HYVNUMGLSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418529253 446582037 /nfs/dbraw/zinc/58/20/37/446582037.db2.gz SYMOGHXICUUSAF-HYVNUMGLSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000433493904 446583162 /nfs/dbraw/zinc/58/31/62/446583162.db2.gz NTRRUUXBLWLAQY-QGZVFWFLSA-N 3 2 336.505 1.109 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000420418601 446592923 /nfs/dbraw/zinc/59/29/23/446592923.db2.gz XAKAHGMINGVPAM-KBAYOESNSA-N 3 2 332.492 1.322 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000420418601 446592927 /nfs/dbraw/zinc/59/29/27/446592927.db2.gz XAKAHGMINGVPAM-KBAYOESNSA-N 3 2 332.492 1.322 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCOCC1 ZINC000376595120 446596033 /nfs/dbraw/zinc/59/60/33/446596033.db2.gz KRKGFRIJZYOIIL-OAHLLOKOSA-N 2 2 332.448 1.258 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCOCC1 ZINC000376595120 446596036 /nfs/dbraw/zinc/59/60/36/446596036.db2.gz KRKGFRIJZYOIIL-OAHLLOKOSA-N 2 2 332.448 1.258 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411554122 446599107 /nfs/dbraw/zinc/59/91/07/446599107.db2.gz STKSNQXBMNNBLS-ILXRZTDVSA-N 2 2 349.527 2.071 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423608956 446602896 /nfs/dbraw/zinc/60/28/96/446602896.db2.gz LJYOBXRYEHBSAC-QGZVFWFLSA-N 2 2 335.492 1.622 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423608956 446602903 /nfs/dbraw/zinc/60/29/03/446602903.db2.gz LJYOBXRYEHBSAC-QGZVFWFLSA-N 2 2 335.492 1.622 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)cc1 ZINC000433872401 446604664 /nfs/dbraw/zinc/60/46/64/446604664.db2.gz JNJIQNUZWKMRJQ-UHFFFAOYSA-N 2 2 334.445 1.534 20 0 EDADLP C[C@@H](NC(=O)NCc1c[nH+]c2n1CCCC2)[C@@H](C)[NH+]1CCOCC1 ZINC000375169101 446619984 /nfs/dbraw/zinc/61/99/84/446619984.db2.gz USFBUMKDRCOQKQ-ZIAGYGMSSA-N 2 2 335.452 1.128 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000423619029 446609151 /nfs/dbraw/zinc/60/91/51/446609151.db2.gz ZUHSZTPYYWPFNQ-RBUKOAKNSA-N 2 2 345.487 1.831 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000423619029 446609153 /nfs/dbraw/zinc/60/91/53/446609153.db2.gz ZUHSZTPYYWPFNQ-RBUKOAKNSA-N 2 2 345.487 1.831 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000434415149 446644760 /nfs/dbraw/zinc/64/47/60/446644760.db2.gz GMTUUTDRRUAYQH-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418694846 446651255 /nfs/dbraw/zinc/65/12/55/446651255.db2.gz KXGPHCCJWRLFOJ-HUUCEWRRSA-N 2 2 349.479 1.828 20 0 EDADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)C(N)=O)[C@@H]1c1cccnc1 ZINC000376690166 446653511 /nfs/dbraw/zinc/65/35/11/446653511.db2.gz OUCYVRUQAOVEST-OTWHNJEPSA-N 2 2 338.455 1.761 20 0 EDADLP C[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)C(N)=O)[C@@H]1c1cccnc1 ZINC000376690166 446653516 /nfs/dbraw/zinc/65/35/16/446653516.db2.gz OUCYVRUQAOVEST-OTWHNJEPSA-N 2 2 338.455 1.761 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc2n(n1)CCCC2 ZINC000376722504 446677317 /nfs/dbraw/zinc/67/73/17/446677317.db2.gz OXYONURNGVKRMX-UHFFFAOYSA-N 2 2 348.495 1.709 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc2n(n1)CCCC2 ZINC000376722504 446677320 /nfs/dbraw/zinc/67/73/20/446677320.db2.gz OXYONURNGVKRMX-UHFFFAOYSA-N 2 2 348.495 1.709 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)Cc2cccnc2)CC1 ZINC000411606993 446624087 /nfs/dbraw/zinc/62/40/87/446624087.db2.gz CLAFREUXVXVTGY-UHFFFAOYSA-N 2 2 334.464 1.131 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)Cc2cccnc2)CC1 ZINC000411606993 446624093 /nfs/dbraw/zinc/62/40/93/446624093.db2.gz CLAFREUXVXVTGY-UHFFFAOYSA-N 2 2 334.464 1.131 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H](C)CC[NH2+]3)CC2)cs1 ZINC000423755228 446685840 /nfs/dbraw/zinc/68/58/40/446685840.db2.gz JHHOAOBINHLHNV-CJNGLKHVSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H](C)CC[NH2+]3)CC2)cs1 ZINC000423755228 446685843 /nfs/dbraw/zinc/68/58/43/446685843.db2.gz JHHOAOBINHLHNV-CJNGLKHVSA-N 2 2 336.505 1.874 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@]3(CC)CCC[NH2+]3)CC2)cn1 ZINC000423760590 446689202 /nfs/dbraw/zinc/68/92/02/446689202.db2.gz QMPWSICZSOJJBU-SFHVURJKSA-N 2 2 333.480 1.470 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@]3(CC)CCC[NH2+]3)CC2)cn1 ZINC000423760590 446689210 /nfs/dbraw/zinc/68/92/10/446689210.db2.gz QMPWSICZSOJJBU-SFHVURJKSA-N 2 2 333.480 1.470 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H]2COC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000376739917 446689606 /nfs/dbraw/zinc/68/96/06/446689606.db2.gz OAXVNYJYHUYQAW-DLBZAZTESA-N 2 2 344.459 1.231 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H](C)O1 ZINC000423762820 446691650 /nfs/dbraw/zinc/69/16/50/446691650.db2.gz OOYRRKJFPUUVQU-RVKKMQEKSA-N 2 2 331.460 1.269 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H](C)O1 ZINC000423762820 446691651 /nfs/dbraw/zinc/69/16/51/446691651.db2.gz OOYRRKJFPUUVQU-RVKKMQEKSA-N 2 2 331.460 1.269 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423766967 446694717 /nfs/dbraw/zinc/69/47/17/446694717.db2.gz WJPINYYJWQJTGX-QLFBSQMISA-N 2 2 349.479 1.058 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423766967 446694723 /nfs/dbraw/zinc/69/47/23/446694723.db2.gz WJPINYYJWQJTGX-QLFBSQMISA-N 2 2 349.479 1.058 20 0 EDADLP C[NH2+]CCCC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000423831096 446720001 /nfs/dbraw/zinc/72/00/01/446720001.db2.gz BORFIYWRPSWNCG-UHFFFAOYSA-N 2 2 332.448 1.289 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423840022 446726422 /nfs/dbraw/zinc/72/64/22/446726422.db2.gz YKZSAYDWSDTVTO-MGPQQGTHSA-N 2 2 329.803 1.314 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423840022 446726432 /nfs/dbraw/zinc/72/64/32/446726432.db2.gz YKZSAYDWSDTVTO-MGPQQGTHSA-N 2 2 329.803 1.314 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423837734 446726817 /nfs/dbraw/zinc/72/68/17/446726817.db2.gz XBZZSKNKLLOMQN-MGPQQGTHSA-N 2 2 325.865 1.864 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423837734 446726822 /nfs/dbraw/zinc/72/68/22/446726822.db2.gz XBZZSKNKLLOMQN-MGPQQGTHSA-N 2 2 325.865 1.864 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000371189016 446680488 /nfs/dbraw/zinc/68/04/88/446680488.db2.gz PEBOAYJOJHCMMF-IRXDYDNUSA-N 2 2 328.416 1.025 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000371189016 446680493 /nfs/dbraw/zinc/68/04/93/446680493.db2.gz PEBOAYJOJHCMMF-IRXDYDNUSA-N 2 2 328.416 1.025 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368168042 446681776 /nfs/dbraw/zinc/68/17/76/446681776.db2.gz RMOIOFUACKWXIX-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1(C)C[NH2+]C1)CC2 ZINC000423923756 446772399 /nfs/dbraw/zinc/77/23/99/446772399.db2.gz XZDKKFSCGJZDCH-CYBMUJFWSA-N 2 2 334.489 1.566 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1(C)C[NH2+]C1)CC2 ZINC000423923756 446772411 /nfs/dbraw/zinc/77/24/11/446772411.db2.gz XZDKKFSCGJZDCH-CYBMUJFWSA-N 2 2 334.489 1.566 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)[C@H](C)[NH3+] ZINC000423925495 446774736 /nfs/dbraw/zinc/77/47/36/446774736.db2.gz FRESULBZFQIAPZ-QLFBSQMISA-N 2 2 332.448 1.645 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375409785 446780945 /nfs/dbraw/zinc/78/09/45/446780945.db2.gz ZHXSGRXULNBCGD-IXDOHACOSA-N 2 2 348.491 1.627 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000377008900 446857335 /nfs/dbraw/zinc/85/73/35/446857335.db2.gz CTCQSQDZAZCGDG-UHFFFAOYSA-N 2 2 336.524 1.489 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1[NH+](C)C ZINC000371448424 446863260 /nfs/dbraw/zinc/86/32/60/446863260.db2.gz RIVYZQRGLGUJAO-IXDOHACOSA-N 2 2 348.516 1.550 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C[C@@H]1[NH+](C)C ZINC000371448424 446863267 /nfs/dbraw/zinc/86/32/67/446863267.db2.gz RIVYZQRGLGUJAO-IXDOHACOSA-N 2 2 348.516 1.550 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000371459058 446869644 /nfs/dbraw/zinc/86/96/44/446869644.db2.gz SKYPFGSJMRUXID-MRXNPFEDSA-N 2 2 328.416 1.424 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000371459058 446869649 /nfs/dbraw/zinc/86/96/49/446869649.db2.gz SKYPFGSJMRUXID-MRXNPFEDSA-N 2 2 328.416 1.424 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(NC=O)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371461292 446871345 /nfs/dbraw/zinc/87/13/45/446871345.db2.gz WVWNYEODOYGTHR-HNNXBMFYSA-N 2 2 344.459 1.495 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(NC=O)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371461292 446871351 /nfs/dbraw/zinc/87/13/51/446871351.db2.gz WVWNYEODOYGTHR-HNNXBMFYSA-N 2 2 344.459 1.495 20 0 EDADLP Cc1ccc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000371470258 446875446 /nfs/dbraw/zinc/87/54/46/446875446.db2.gz KEHVFKYHHAQZGG-MRXNPFEDSA-N 2 2 330.476 1.559 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC000454445992 446876040 /nfs/dbraw/zinc/87/60/40/446876040.db2.gz UFASGCZVOLDFJA-OAHLLOKOSA-N 2 2 347.463 1.085 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c[nH+]1 ZINC000454445992 446876047 /nfs/dbraw/zinc/87/60/47/446876047.db2.gz UFASGCZVOLDFJA-OAHLLOKOSA-N 2 2 347.463 1.085 20 0 EDADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918750 446887783 /nfs/dbraw/zinc/88/77/83/446887783.db2.gz XOLKKCLRWZQEIP-VBURHUQHSA-N 2 2 336.501 1.860 20 0 EDADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918750 446887788 /nfs/dbraw/zinc/88/77/88/446887788.db2.gz XOLKKCLRWZQEIP-VBURHUQHSA-N 2 2 336.501 1.860 20 0 EDADLP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](CO)O1 ZINC000420925621 446894842 /nfs/dbraw/zinc/89/48/42/446894842.db2.gz LYZAULSGCMGPIJ-SFHVURJKSA-N 2 2 334.460 1.491 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](CO)O1 ZINC000420925621 446894848 /nfs/dbraw/zinc/89/48/48/446894848.db2.gz LYZAULSGCMGPIJ-SFHVURJKSA-N 2 2 334.460 1.491 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cn1C ZINC000368581148 446956543 /nfs/dbraw/zinc/95/65/43/446956543.db2.gz ARMICBRFOKSHCC-HNNXBMFYSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cn1C ZINC000368581148 446956550 /nfs/dbraw/zinc/95/65/50/446956550.db2.gz ARMICBRFOKSHCC-HNNXBMFYSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)c1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1C ZINC000368581148 446956554 /nfs/dbraw/zinc/95/65/54/446956554.db2.gz ARMICBRFOKSHCC-HNNXBMFYSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)c1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1C ZINC000368581148 446956560 /nfs/dbraw/zinc/95/65/60/446956560.db2.gz ARMICBRFOKSHCC-HNNXBMFYSA-N 2 2 348.491 1.412 20 0 EDADLP CC(=O)N[C@@H]1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000420992387 446972422 /nfs/dbraw/zinc/97/24/22/446972422.db2.gz XUHJBFRCKLPIPB-CVEARBPZSA-N 2 2 330.432 1.224 20 0 EDADLP CC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000420992387 446972430 /nfs/dbraw/zinc/97/24/30/446972430.db2.gz XUHJBFRCKLPIPB-CVEARBPZSA-N 2 2 330.432 1.224 20 0 EDADLP CCCCCC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000377188230 446979639 /nfs/dbraw/zinc/97/96/39/446979639.db2.gz JWODPGWGYRDPDN-DLBZAZTESA-N 2 2 325.497 1.556 20 0 EDADLP CCCCCC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000377188230 446979644 /nfs/dbraw/zinc/97/96/44/446979644.db2.gz JWODPGWGYRDPDN-DLBZAZTESA-N 2 2 325.497 1.556 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)CC1 ZINC000377196531 446985111 /nfs/dbraw/zinc/98/51/11/446985111.db2.gz JIRLUNCZXANDPZ-FZCLSBEQSA-N 3 2 334.508 1.192 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)CC1 ZINC000377196531 446985121 /nfs/dbraw/zinc/98/51/21/446985121.db2.gz JIRLUNCZXANDPZ-FZCLSBEQSA-N 3 2 334.508 1.192 20 0 EDADLP COc1ccccc1[C@H](CNc1cc(NC[C@H](C)O)[nH+]cn1)[NH+](C)C ZINC000413026155 446986916 /nfs/dbraw/zinc/98/69/16/446986916.db2.gz INWMCTGFGQSWCP-ZFWWWQNUSA-N 2 2 345.447 1.993 20 0 EDADLP C[C@@H](O)CNc1cc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000413061787 446989088 /nfs/dbraw/zinc/98/90/88/446989088.db2.gz QDJMTGBROHHROW-OWCLPIDISA-N 2 2 335.496 2.439 20 0 EDADLP C[C@@H](O)CNc1cc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000413061787 446989089 /nfs/dbraw/zinc/98/90/89/446989089.db2.gz QDJMTGBROHHROW-OWCLPIDISA-N 2 2 335.496 2.439 20 0 EDADLP C[C@@H](O)CNc1cc(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[nH+]cn1 ZINC000413061787 446989090 /nfs/dbraw/zinc/98/90/90/446989090.db2.gz QDJMTGBROHHROW-OWCLPIDISA-N 2 2 335.496 2.439 20 0 EDADLP C[C@@H](O)CNc1cc(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[nH+]cn1 ZINC000413061787 446989091 /nfs/dbraw/zinc/98/90/91/446989091.db2.gz QDJMTGBROHHROW-OWCLPIDISA-N 2 2 335.496 2.439 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)C1 ZINC000375709084 446990570 /nfs/dbraw/zinc/99/05/70/446990570.db2.gz AXIDEFRYNBURAP-WOJBJXKFSA-N 2 2 347.503 1.448 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)C1 ZINC000375709084 446990581 /nfs/dbraw/zinc/99/05/81/446990581.db2.gz AXIDEFRYNBURAP-WOJBJXKFSA-N 2 2 347.503 1.448 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000375714381 446995207 /nfs/dbraw/zinc/99/52/07/446995207.db2.gz MJGDQCMVCUZATJ-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000375714381 446995215 /nfs/dbraw/zinc/99/52/15/446995215.db2.gz MJGDQCMVCUZATJ-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]12CCOC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000421031449 447001316 /nfs/dbraw/zinc/00/13/16/447001316.db2.gz KHPBSSQTPZWRJJ-KRWDZBQOSA-N 2 2 335.473 1.257 20 0 EDADLP O=C(C[N@H+]1CC[C@@]12CCOC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000421031449 447001324 /nfs/dbraw/zinc/00/13/24/447001324.db2.gz KHPBSSQTPZWRJJ-KRWDZBQOSA-N 2 2 335.473 1.257 20 0 EDADLP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000443059573 447002547 /nfs/dbraw/zinc/00/25/47/447002547.db2.gz NDHKWFRDYYFCOZ-QGZVFWFLSA-N 3 2 345.491 1.181 20 0 EDADLP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000443059573 447002551 /nfs/dbraw/zinc/00/25/51/447002551.db2.gz NDHKWFRDYYFCOZ-QGZVFWFLSA-N 3 2 345.491 1.181 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCSC1 ZINC000372355396 447046973 /nfs/dbraw/zinc/04/69/73/447046973.db2.gz HWZUCALACCTAQG-MRXNPFEDSA-N 2 2 329.510 1.041 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCSC1 ZINC000372355396 447046975 /nfs/dbraw/zinc/04/69/75/447046975.db2.gz HWZUCALACCTAQG-MRXNPFEDSA-N 2 2 329.510 1.041 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372366778 447049692 /nfs/dbraw/zinc/04/96/92/447049692.db2.gz CIFJLFIQTJTJDY-SFHVURJKSA-N 2 2 338.540 1.735 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372366778 447049698 /nfs/dbraw/zinc/04/96/98/447049698.db2.gz CIFJLFIQTJTJDY-SFHVURJKSA-N 2 2 338.540 1.735 20 0 EDADLP CCCN(CCC)C(=O)CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372366778 447049702 /nfs/dbraw/zinc/04/97/02/447049702.db2.gz CIFJLFIQTJTJDY-SFHVURJKSA-N 2 2 338.540 1.735 20 0 EDADLP CCCN(CCC)C(=O)CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372366778 447049708 /nfs/dbraw/zinc/04/97/08/447049708.db2.gz CIFJLFIQTJTJDY-SFHVURJKSA-N 2 2 338.540 1.735 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@@H+]1C[C@@H](C)O ZINC000377303933 447052068 /nfs/dbraw/zinc/05/20/68/447052068.db2.gz KUZIHHYAVADHME-CABCVRRESA-N 2 2 349.479 1.206 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@H+]1C[C@@H](C)O ZINC000377303933 447052074 /nfs/dbraw/zinc/05/20/74/447052074.db2.gz KUZIHHYAVADHME-CABCVRRESA-N 2 2 349.479 1.206 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)nc[nH+]1 ZINC000413187041 447056318 /nfs/dbraw/zinc/05/63/18/447056318.db2.gz UHSBQPNEPJIFBX-OAHLLOKOSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)[nH+]cn1 ZINC000413187041 447056326 /nfs/dbraw/zinc/05/63/26/447056326.db2.gz UHSBQPNEPJIFBX-OAHLLOKOSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(Cl)nc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000375798471 447060479 /nfs/dbraw/zinc/06/04/79/447060479.db2.gz XOJAKISRSFGAHG-ZDUSSCGKSA-N 2 2 336.867 1.976 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(Cl)nc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375798471 447060482 /nfs/dbraw/zinc/06/04/82/447060482.db2.gz XOJAKISRSFGAHG-ZDUSSCGKSA-N 2 2 336.867 1.976 20 0 EDADLP CCn1nccc1/C=C/C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377258964 447023962 /nfs/dbraw/zinc/02/39/62/447023962.db2.gz UJBVJNYZZCFUCK-SQRWCISFSA-N 2 2 345.491 1.543 20 0 EDADLP CCn1nccc1/C=C/C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377258964 447023970 /nfs/dbraw/zinc/02/39/70/447023970.db2.gz UJBVJNYZZCFUCK-SQRWCISFSA-N 2 2 345.491 1.543 20 0 EDADLP COCC1=CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000368792652 447109198 /nfs/dbraw/zinc/10/91/98/447109198.db2.gz WXACAHVVEARYKN-INIZCTEOSA-N 2 2 336.480 1.143 20 0 EDADLP COCC1=CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000368792652 447109204 /nfs/dbraw/zinc/10/92/04/447109204.db2.gz WXACAHVVEARYKN-INIZCTEOSA-N 2 2 336.480 1.143 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000375827005 447083879 /nfs/dbraw/zinc/08/38/79/447083879.db2.gz XLFZUTUVTPONQO-MAUKXSAKSA-N 2 2 325.416 1.663 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000372496380 447089552 /nfs/dbraw/zinc/08/95/52/447089552.db2.gz LKNUQSYOSCUAAO-PKOBYXMFSA-N 2 2 345.487 1.956 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000368822243 447136144 /nfs/dbraw/zinc/13/61/44/447136144.db2.gz KVLKEHMQQYARQA-CQSZACIVSA-N 2 2 330.436 1.797 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)C1 ZINC000372564498 447146201 /nfs/dbraw/zinc/14/62/01/447146201.db2.gz AJISVUJSJYJMKM-BZSNNMDCSA-N 2 2 335.492 1.430 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)C1 ZINC000372564498 447146207 /nfs/dbraw/zinc/14/62/07/447146207.db2.gz AJISVUJSJYJMKM-BZSNNMDCSA-N 2 2 335.492 1.430 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000372564498 447146211 /nfs/dbraw/zinc/14/62/11/447146211.db2.gz AJISVUJSJYJMKM-BZSNNMDCSA-N 2 2 335.492 1.430 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000372564498 447146217 /nfs/dbraw/zinc/14/62/17/447146217.db2.gz AJISVUJSJYJMKM-BZSNNMDCSA-N 2 2 335.492 1.430 20 0 EDADLP c1ccc(N2CC[C@@H](Nc3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)[nH+]c1 ZINC000372573799 447153432 /nfs/dbraw/zinc/15/34/32/447153432.db2.gz WKURDCXTALMRDG-CABCVRRESA-N 2 2 340.431 2.153 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000375939865 447163793 /nfs/dbraw/zinc/16/37/93/447163793.db2.gz CIBADQMOBPFDGM-QGZVFWFLSA-N 3 2 332.496 1.145 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000375939865 447163800 /nfs/dbraw/zinc/16/38/00/447163800.db2.gz CIBADQMOBPFDGM-QGZVFWFLSA-N 3 2 332.496 1.145 20 0 EDADLP C[C@H]1C[N@H+](CCN2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000425496828 447193524 /nfs/dbraw/zinc/19/35/24/447193524.db2.gz BJAIUGXRDIPYQD-YSIASYRMSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@H]1C[N@@H+](CCN2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000425496828 447193528 /nfs/dbraw/zinc/19/35/28/447193528.db2.gz BJAIUGXRDIPYQD-YSIASYRMSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@H]1C[NH+](CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000425496828 447193533 /nfs/dbraw/zinc/19/35/33/447193533.db2.gz BJAIUGXRDIPYQD-YSIASYRMSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@H]1C[NH+](CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000425496828 447193539 /nfs/dbraw/zinc/19/35/39/447193539.db2.gz BJAIUGXRDIPYQD-YSIASYRMSA-N 2 2 329.488 1.913 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419459329 447194035 /nfs/dbraw/zinc/19/40/35/447194035.db2.gz FTKHZZHBXCTVRJ-HUUCEWRRSA-N 2 2 337.468 1.136 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419459329 447194045 /nfs/dbraw/zinc/19/40/45/447194045.db2.gz FTKHZZHBXCTVRJ-HUUCEWRRSA-N 2 2 337.468 1.136 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000445806759 447196100 /nfs/dbraw/zinc/19/61/00/447196100.db2.gz ZMEVSTQSHOHGGD-SFHVURJKSA-N 2 2 328.460 1.820 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368954046 447222971 /nfs/dbraw/zinc/22/29/71/447222971.db2.gz CLTQALULYVGVPB-VXGBXAGGSA-N 2 2 345.369 1.871 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368954046 447222975 /nfs/dbraw/zinc/22/29/75/447222975.db2.gz CLTQALULYVGVPB-VXGBXAGGSA-N 2 2 345.369 1.871 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000425554106 447229445 /nfs/dbraw/zinc/22/94/45/447229445.db2.gz VHLVCGHMUTXUAZ-OAHLLOKOSA-N 2 2 345.443 1.060 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000425554106 447229448 /nfs/dbraw/zinc/22/94/48/447229448.db2.gz VHLVCGHMUTXUAZ-OAHLLOKOSA-N 2 2 345.443 1.060 20 0 EDADLP C[NH+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000425554106 447229452 /nfs/dbraw/zinc/22/94/52/447229452.db2.gz VHLVCGHMUTXUAZ-OAHLLOKOSA-N 2 2 345.443 1.060 20 0 EDADLP C[NH+](CCCN1C(=O)c2ccccc2C1=O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000425554106 447229456 /nfs/dbraw/zinc/22/94/56/447229456.db2.gz VHLVCGHMUTXUAZ-OAHLLOKOSA-N 2 2 345.443 1.060 20 0 EDADLP CO[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC(C)C ZINC000419521143 447239515 /nfs/dbraw/zinc/23/95/15/447239515.db2.gz RBRVISQGWFITJS-KRWDZBQOSA-N 2 2 342.528 1.715 20 0 EDADLP CO[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC(C)C ZINC000419521143 447239521 /nfs/dbraw/zinc/23/95/21/447239521.db2.gz RBRVISQGWFITJS-KRWDZBQOSA-N 2 2 342.528 1.715 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccccc2N2CCOCC2)n1C ZINC000414292243 447287074 /nfs/dbraw/zinc/28/70/74/447287074.db2.gz BVYURPMVTUYRCL-UHFFFAOYSA-N 2 2 329.448 1.613 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000369050706 447289833 /nfs/dbraw/zinc/28/98/33/447289833.db2.gz KQGODKHTRRIFAV-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377630565 447257592 /nfs/dbraw/zinc/25/75/92/447257592.db2.gz RXJKRJZXRCBSOM-ZLIFDBKOSA-N 2 2 329.400 1.850 20 0 EDADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377630565 447257599 /nfs/dbraw/zinc/25/75/99/447257599.db2.gz RXJKRJZXRCBSOM-ZLIFDBKOSA-N 2 2 329.400 1.850 20 0 EDADLP Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc(-c2ccncc2)[nH+]1 ZINC000377636622 447262418 /nfs/dbraw/zinc/26/24/18/447262418.db2.gz JHSWYNZSPAHKCH-HOTGVXAUSA-N 2 2 325.416 1.544 20 0 EDADLP Cc1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc(-c2ccncc2)[nH+]1 ZINC000377636622 447262424 /nfs/dbraw/zinc/26/24/24/447262424.db2.gz JHSWYNZSPAHKCH-HOTGVXAUSA-N 2 2 325.416 1.544 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000372819565 447300282 /nfs/dbraw/zinc/30/02/82/447300282.db2.gz AFAIWZBDQRZEEM-KGLIPLIRSA-N 2 2 328.420 1.312 20 0 EDADLP C[C@@H](C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000450472377 447500038 /nfs/dbraw/zinc/50/00/38/447500038.db2.gz FJJBVSQBAYTOLC-XHSDSOJGSA-N 2 2 346.537 1.631 20 0 EDADLP C[C@@H](C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000450472377 447500040 /nfs/dbraw/zinc/50/00/40/447500040.db2.gz FJJBVSQBAYTOLC-XHSDSOJGSA-N 2 2 346.537 1.631 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495755651 447580743 /nfs/dbraw/zinc/58/07/43/447580743.db2.gz WLYALPROHPVECO-ILXRZTDVSA-N 2 2 329.485 1.989 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495755651 447580747 /nfs/dbraw/zinc/58/07/47/447580747.db2.gz WLYALPROHPVECO-ILXRZTDVSA-N 2 2 329.485 1.989 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457521874 447586608 /nfs/dbraw/zinc/58/66/08/447586608.db2.gz LWHUOMVRQZYSEQ-AWEZNQCLSA-N 2 2 345.447 1.053 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457521874 447586612 /nfs/dbraw/zinc/58/66/12/447586612.db2.gz LWHUOMVRQZYSEQ-AWEZNQCLSA-N 2 2 345.447 1.053 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000420077152 447586820 /nfs/dbraw/zinc/58/68/20/447586820.db2.gz BYYSAWSNVSRSOO-UHFFFAOYSA-N 2 2 349.479 1.062 20 0 EDADLP COc1cccc2c(N(C)CC(=O)N3CC[NH2+]CC3)cc(C)[nH+]c12 ZINC000420147153 447636266 /nfs/dbraw/zinc/63/62/66/447636266.db2.gz CAYRZAFXBGIMTD-UHFFFAOYSA-N 2 2 328.416 1.420 20 0 EDADLP CCOC(=O)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000459344431 447640890 /nfs/dbraw/zinc/64/08/90/447640890.db2.gz RKJFNRSGLXDETN-ZDUSSCGKSA-N 2 2 345.403 1.884 20 0 EDADLP CCOC(=O)c1noc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000459344431 447640894 /nfs/dbraw/zinc/64/08/94/447640894.db2.gz RKJFNRSGLXDETN-ZDUSSCGKSA-N 2 2 345.403 1.884 20 0 EDADLP Cc1c(Cl)c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nn1C ZINC000422557437 447641984 /nfs/dbraw/zinc/64/19/84/447641984.db2.gz WDYQADMHTSVFBW-LBPRGKRZSA-N 2 2 327.860 1.201 20 0 EDADLP Cc1c(Cl)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nn1C ZINC000422557437 447641989 /nfs/dbraw/zinc/64/19/89/447641989.db2.gz WDYQADMHTSVFBW-LBPRGKRZSA-N 2 2 327.860 1.201 20 0 EDADLP C[N@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@H]2C1 ZINC000427774629 447646884 /nfs/dbraw/zinc/64/68/84/447646884.db2.gz QXVJOWDCGAFIOH-HDICACEKSA-N 2 2 329.444 1.152 20 0 EDADLP C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@H]2C1 ZINC000427774629 447646894 /nfs/dbraw/zinc/64/68/94/447646894.db2.gz QXVJOWDCGAFIOH-HDICACEKSA-N 2 2 329.444 1.152 20 0 EDADLP CC[C@@H]1C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000495855109 447607604 /nfs/dbraw/zinc/60/76/04/447607604.db2.gz AFEOVBFNEQIILA-ZBFHGGJFSA-N 2 2 325.478 1.688 20 0 EDADLP CC[C@@H]1C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000495855109 447607608 /nfs/dbraw/zinc/60/76/08/447607608.db2.gz AFEOVBFNEQIILA-ZBFHGGJFSA-N 2 2 325.478 1.688 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000457782912 447628452 /nfs/dbraw/zinc/62/84/52/447628452.db2.gz WHVYPNQPZOAOGC-OAHLLOKOSA-N 2 2 335.452 1.030 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457782912 447628456 /nfs/dbraw/zinc/62/84/56/447628456.db2.gz WHVYPNQPZOAOGC-OAHLLOKOSA-N 2 2 335.452 1.030 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NCC2([NH3+])CCC2)cc1 ZINC000416879887 447700837 /nfs/dbraw/zinc/70/08/37/447700837.db2.gz DNDMHVSNLZUCKK-KRWDZBQOSA-N 2 2 346.475 1.549 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH+]2CC(N3CCNC3=O)C2)CC1 ZINC000459547978 447702311 /nfs/dbraw/zinc/70/23/11/447702311.db2.gz KWATUOLAJRSKTD-UHFFFAOYSA-N 2 2 343.475 1.038 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459450722 447669898 /nfs/dbraw/zinc/66/98/98/447669898.db2.gz OSOYQQSRPKDNOX-IBGZPJMESA-N 2 2 345.487 1.577 20 0 EDADLP CC[NH2+]CC1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000420213041 447672829 /nfs/dbraw/zinc/67/28/29/447672829.db2.gz PQGLUVSZWZOBGM-MRXNPFEDSA-N 2 2 333.480 1.511 20 0 EDADLP CC[NH2+]CC1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000420213041 447672835 /nfs/dbraw/zinc/67/28/35/447672835.db2.gz PQGLUVSZWZOBGM-MRXNPFEDSA-N 2 2 333.480 1.511 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCO[C@@H](C[NH3+])C1 ZINC000420241175 447683956 /nfs/dbraw/zinc/68/39/56/447683956.db2.gz OLOLDJWLWJPOIU-ZDUSSCGKSA-N 2 2 345.399 1.584 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416931583 447713631 /nfs/dbraw/zinc/71/36/31/447713631.db2.gz NLUYUUKYTFJBOB-MRXNPFEDSA-N 2 2 349.479 1.433 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000416939171 447716235 /nfs/dbraw/zinc/71/62/35/447716235.db2.gz MNYIIRDEYWSZRU-HOTGVXAUSA-N 2 2 331.464 1.999 20 0 EDADLP CCNC(=O)C(C)(C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000459602166 447718981 /nfs/dbraw/zinc/71/89/81/447718981.db2.gz YNVIHDZNJUDTNN-UHFFFAOYSA-N 2 2 332.492 1.703 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422722961 447729167 /nfs/dbraw/zinc/72/91/67/447729167.db2.gz ZFFCCXRHWGVAHD-AEFFLSMTSA-N 3 2 335.492 1.874 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422727310 447730908 /nfs/dbraw/zinc/73/09/08/447730908.db2.gz CCPDDYCJMHRCQF-IIAWOOMASA-N 2 2 337.489 1.768 20 0 EDADLP CC[C@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000458215364 447746031 /nfs/dbraw/zinc/74/60/31/447746031.db2.gz MYMNAUXHHLVKNW-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000458215364 447746032 /nfs/dbraw/zinc/74/60/32/447746032.db2.gz MYMNAUXHHLVKNW-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000458215364 447746034 /nfs/dbraw/zinc/74/60/34/447746034.db2.gz MYMNAUXHHLVKNW-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000458215364 447746036 /nfs/dbraw/zinc/74/60/36/447746036.db2.gz MYMNAUXHHLVKNW-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP COC1(C[C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCC1 ZINC000429419589 447747733 /nfs/dbraw/zinc/74/77/33/447747733.db2.gz TYOUUDGHOUCXER-HUUCEWRRSA-N 2 2 334.464 1.848 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000422828190 447761909 /nfs/dbraw/zinc/76/19/09/447761909.db2.gz NUUHNLPLISGOHH-CYBMUJFWSA-N 2 2 335.448 1.034 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000422828190 447761911 /nfs/dbraw/zinc/76/19/11/447761911.db2.gz NUUHNLPLISGOHH-CYBMUJFWSA-N 2 2 335.448 1.034 20 0 EDADLP COc1ccc(-n2ccc(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)n2)cc1 ZINC000422935900 447775680 /nfs/dbraw/zinc/77/56/80/447775680.db2.gz AZXLCGHEEUIELH-ZBFHGGJFSA-N 2 2 330.432 1.738 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430543721 447776046 /nfs/dbraw/zinc/77/60/46/447776046.db2.gz FEZGKWJKXKRNKI-UONOGXRCSA-N 2 2 339.867 1.894 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430543721 447776049 /nfs/dbraw/zinc/77/60/49/447776049.db2.gz FEZGKWJKXKRNKI-UONOGXRCSA-N 2 2 339.867 1.894 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCCOc1cccc(Cl)c1)C1CC1 ZINC000430592691 447781539 /nfs/dbraw/zinc/78/15/39/447781539.db2.gz CPWKSKKUMILNSC-MRXNPFEDSA-N 2 2 325.840 1.552 20 0 EDADLP C[C@H](NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422966352 447783648 /nfs/dbraw/zinc/78/36/48/447783648.db2.gz RCFDMDVBGZPOQO-UAGQMJEPSA-N 2 2 326.444 1.780 20 0 EDADLP C[C@H](NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422966352 447783651 /nfs/dbraw/zinc/78/36/51/447783651.db2.gz RCFDMDVBGZPOQO-UAGQMJEPSA-N 2 2 326.444 1.780 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422966352 447783654 /nfs/dbraw/zinc/78/36/54/447783654.db2.gz RCFDMDVBGZPOQO-UAGQMJEPSA-N 2 2 326.444 1.780 20 0 EDADLP COc1ccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422973080 447784608 /nfs/dbraw/zinc/78/46/08/447784608.db2.gz BDZCXXYHUNDVKM-WOJBJXKFSA-N 3 2 347.503 1.782 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000569687354 447867297 /nfs/dbraw/zinc/86/72/97/447867297.db2.gz QZYVTLPEVANLJH-HZPDHXFCSA-N 2 2 345.443 1.485 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000569687354 447867302 /nfs/dbraw/zinc/86/73/02/447867302.db2.gz QZYVTLPEVANLJH-HZPDHXFCSA-N 2 2 345.443 1.485 20 0 EDADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)n1 ZINC000569724076 447877520 /nfs/dbraw/zinc/87/75/20/447877520.db2.gz WYEOAUDOGRCSEZ-HNNXBMFYSA-N 2 2 345.447 1.427 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000497205021 447957819 /nfs/dbraw/zinc/95/78/19/447957819.db2.gz TVVROXDEFBBHFY-CABCVRRESA-N 2 2 327.469 1.431 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000497205021 447957821 /nfs/dbraw/zinc/95/78/21/447957821.db2.gz TVVROXDEFBBHFY-CABCVRRESA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000497205021 447957823 /nfs/dbraw/zinc/95/78/23/447957823.db2.gz TVVROXDEFBBHFY-CABCVRRESA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000497205021 447957826 /nfs/dbraw/zinc/95/78/26/447957826.db2.gz TVVROXDEFBBHFY-CABCVRRESA-N 2 2 327.469 1.431 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CCN2C1=O ZINC000569988464 447931188 /nfs/dbraw/zinc/93/11/88/447931188.db2.gz LBEKQDYMTKKQHE-SMDDNHRTSA-N 2 2 347.369 1.099 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CCN2C1=O ZINC000569988464 447931190 /nfs/dbraw/zinc/93/11/90/447931190.db2.gz LBEKQDYMTKKQHE-SMDDNHRTSA-N 2 2 347.369 1.099 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569999933 447932630 /nfs/dbraw/zinc/93/26/30/447932630.db2.gz CZTYJARQMMNNBI-IKGGRYGDSA-N 2 2 330.432 1.871 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569999933 447932634 /nfs/dbraw/zinc/93/26/34/447932634.db2.gz CZTYJARQMMNNBI-IKGGRYGDSA-N 2 2 330.432 1.871 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H]3CC[NH2+]CC[C@@H]3C)c[nH+]2)CC1 ZINC000497257850 448013141 /nfs/dbraw/zinc/01/31/41/448013141.db2.gz AVIJXHZJTIKESN-GOEBONIOSA-N 2 2 347.463 1.770 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000525621262 448006326 /nfs/dbraw/zinc/00/63/26/448006326.db2.gz OLWNRQPCRUNWOY-ZFWWWQNUSA-N 2 2 328.420 1.465 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C1 ZINC000525621262 448006329 /nfs/dbraw/zinc/00/63/29/448006329.db2.gz OLWNRQPCRUNWOY-ZFWWWQNUSA-N 2 2 328.420 1.465 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)C2)CC1 ZINC000525686648 448010771 /nfs/dbraw/zinc/01/07/71/448010771.db2.gz AKFRWNYUKOKDCD-INIZCTEOSA-N 2 2 332.496 1.293 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)C2)CC1 ZINC000525686648 448010778 /nfs/dbraw/zinc/01/07/78/448010778.db2.gz AKFRWNYUKOKDCD-INIZCTEOSA-N 2 2 332.496 1.293 20 0 EDADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(CO)o2)c2cccs2)CC1 ZINC000525180302 447973777 /nfs/dbraw/zinc/97/37/77/447973777.db2.gz BMXNQALACWXCCC-INIZCTEOSA-N 2 2 335.473 1.912 20 0 EDADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000576321651 448025877 /nfs/dbraw/zinc/02/58/77/448025877.db2.gz RRKDOFVAHOYDOR-KBXCAEBGSA-N 2 2 333.476 1.760 20 0 EDADLP CCOC(=O)N[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)CC(C)C ZINC000497273039 448026742 /nfs/dbraw/zinc/02/67/42/448026742.db2.gz WNNGJJVPBBFZJQ-ZDUSSCGKSA-N 2 2 325.457 1.737 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC(=O)NCc1cccs1 ZINC000576376405 448041187 /nfs/dbraw/zinc/04/11/87/448041187.db2.gz INISKDQJKCAJLD-MRXNPFEDSA-N 2 2 336.461 1.149 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC(=O)NCc1cccs1 ZINC000576376405 448041190 /nfs/dbraw/zinc/04/11/90/448041190.db2.gz INISKDQJKCAJLD-MRXNPFEDSA-N 2 2 336.461 1.149 20 0 EDADLP Cn1cc(I)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000570646499 448043311 /nfs/dbraw/zinc/04/33/11/448043311.db2.gz IUEMXNVWRXNMEZ-BDAKNGLRSA-N 2 2 334.205 1.384 20 0 EDADLP Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc(-c2cccnc2)[nH+]1 ZINC000570668583 448045478 /nfs/dbraw/zinc/04/54/78/448045478.db2.gz VYBPSSCFULAEBG-IYBDPMFKSA-N 2 2 325.416 2.122 20 0 EDADLP Cc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc(-c2cccnc2)[nH+]1 ZINC000570668583 448045484 /nfs/dbraw/zinc/04/54/84/448045484.db2.gz VYBPSSCFULAEBG-IYBDPMFKSA-N 2 2 325.416 2.122 20 0 EDADLP C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000576450087 448057357 /nfs/dbraw/zinc/05/73/57/448057357.db2.gz BDIJUZNHJNLGMO-RHSMWYFYSA-N 2 2 342.447 1.136 20 0 EDADLP CN1C(=O)CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1=O ZINC000576457347 448059901 /nfs/dbraw/zinc/05/99/01/448059901.db2.gz OZKSFESQRLBPOZ-KRWDZBQOSA-N 2 2 347.434 1.570 20 0 EDADLP CC(C)CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1)C1CC[NH+](C)CC1 ZINC000570451847 448017386 /nfs/dbraw/zinc/01/73/86/448017386.db2.gz BFCCKINLTQJUTM-CQSZACIVSA-N 2 2 333.480 1.679 20 0 EDADLP COCC[N@H+](C)CC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496984352 448097210 /nfs/dbraw/zinc/09/72/10/448097210.db2.gz SUZBFROLUIYMFS-YOEHRIQHSA-N 2 2 327.469 1.411 20 0 EDADLP COCC[N@@H+](C)CC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496984352 448097213 /nfs/dbraw/zinc/09/72/13/448097213.db2.gz SUZBFROLUIYMFS-YOEHRIQHSA-N 2 2 327.469 1.411 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000497046907 448154418 /nfs/dbraw/zinc/15/44/18/448154418.db2.gz VIEDCYYDLXMIID-WLYUNCDWSA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000497046907 448154420 /nfs/dbraw/zinc/15/44/20/448154420.db2.gz VIEDCYYDLXMIID-WLYUNCDWSA-N 2 2 327.469 1.479 20 0 EDADLP COc1ccccc1[C@H](CNc1nc[nH+]c(N)c1OC)[NH+]1CCCC1 ZINC000571225068 448122840 /nfs/dbraw/zinc/12/28/40/448122840.db2.gz RYUOLFPJJVBYNM-AWEZNQCLSA-N 2 2 343.431 2.325 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000576879270 448161630 /nfs/dbraw/zinc/16/16/30/448161630.db2.gz ICJLACAHUNJURP-HNNXBMFYSA-N 2 2 339.443 1.934 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000526990415 448132576 /nfs/dbraw/zinc/13/25/76/448132576.db2.gz QMNYSWMTOGMFNX-CRAIPNDOSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000526990415 448132580 /nfs/dbraw/zinc/13/25/80/448132580.db2.gz QMNYSWMTOGMFNX-CRAIPNDOSA-N 2 2 328.416 1.956 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000576834963 448152088 /nfs/dbraw/zinc/15/20/88/448152088.db2.gz XZWFATHVDIUXFW-INIZCTEOSA-N 2 2 334.464 1.353 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000576834963 448152090 /nfs/dbraw/zinc/15/20/90/448152090.db2.gz XZWFATHVDIUXFW-INIZCTEOSA-N 2 2 334.464 1.353 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571580495 448175580 /nfs/dbraw/zinc/17/55/80/448175580.db2.gz XVYHFMMWTMFLMX-NVXWUHKLSA-N 3 2 335.496 1.463 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000571580495 448175588 /nfs/dbraw/zinc/17/55/88/448175588.db2.gz XVYHFMMWTMFLMX-NVXWUHKLSA-N 3 2 335.496 1.463 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571580495 448175596 /nfs/dbraw/zinc/17/55/96/448175596.db2.gz XVYHFMMWTMFLMX-NVXWUHKLSA-N 3 2 335.496 1.463 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000571580495 448175600 /nfs/dbraw/zinc/17/56/00/448175600.db2.gz XVYHFMMWTMFLMX-NVXWUHKLSA-N 3 2 335.496 1.463 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000571624019 448181101 /nfs/dbraw/zinc/18/11/01/448181101.db2.gz YXXBQYPCISYDJM-AWEZNQCLSA-N 2 2 341.415 1.121 20 0 EDADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]CC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000497093149 448192989 /nfs/dbraw/zinc/19/29/89/448192989.db2.gz JTPMOWSWPBTXBR-STQMWFEESA-N 2 2 329.441 1.079 20 0 EDADLP CCc1cc(NC[C@@H](O)CN(C)c2cc(CC)[nH+]c(C)n2)nc(C)[nH+]1 ZINC000559356106 448208118 /nfs/dbraw/zinc/20/81/18/448208118.db2.gz KCLVWAMZSJQDBR-MRXNPFEDSA-N 2 2 344.463 1.917 20 0 EDADLP C[NH+](C)CC(=O)N1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000527324142 448210444 /nfs/dbraw/zinc/21/04/44/448210444.db2.gz MBRDXVGCBKGPIP-UHFFFAOYSA-N 2 2 341.459 1.137 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)cs1 ZINC000514599589 448168761 /nfs/dbraw/zinc/16/87/61/448168761.db2.gz HMQJECRLVVNIBG-INIZCTEOSA-N 2 2 348.516 1.876 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)cs1 ZINC000514599589 448168767 /nfs/dbraw/zinc/16/87/67/448168767.db2.gz HMQJECRLVVNIBG-INIZCTEOSA-N 2 2 348.516 1.876 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000582415668 448230204 /nfs/dbraw/zinc/23/02/04/448230204.db2.gz FVJAUVGGZVNOSE-UMVBOHGHSA-N 2 2 328.403 1.567 20 0 EDADLP Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000571865030 448221023 /nfs/dbraw/zinc/22/10/23/448221023.db2.gz REEQIYYHNFHEGU-TZMCWYRMSA-N 2 2 336.484 1.292 20 0 EDADLP Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000571865030 448221027 /nfs/dbraw/zinc/22/10/27/448221027.db2.gz REEQIYYHNFHEGU-TZMCWYRMSA-N 2 2 336.484 1.292 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000527509069 448243702 /nfs/dbraw/zinc/24/37/02/448243702.db2.gz XGDRZVHTPYUPPM-AWEZNQCLSA-N 2 2 344.419 1.207 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC000591171234 448277578 /nfs/dbraw/zinc/27/75/78/448277578.db2.gz RESYOTZSHNOYQH-UHFFFAOYSA-N 3 2 333.480 1.338 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCn3ccnc3)CC2)CC1 ZINC000591171234 448277582 /nfs/dbraw/zinc/27/75/82/448277582.db2.gz RESYOTZSHNOYQH-UHFFFAOYSA-N 2 2 333.480 1.338 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000582495569 448256085 /nfs/dbraw/zinc/25/60/85/448256085.db2.gz MNDGBDOFEHHWHJ-UHFFFAOYSA-N 2 2 331.460 1.681 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000577306264 448262859 /nfs/dbraw/zinc/26/28/59/448262859.db2.gz WCOYKUPPOSKANR-SFHVURJKSA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000577306264 448262865 /nfs/dbraw/zinc/26/28/65/448262865.db2.gz WCOYKUPPOSKANR-SFHVURJKSA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000577306264 448262870 /nfs/dbraw/zinc/26/28/70/448262870.db2.gz WCOYKUPPOSKANR-SFHVURJKSA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000577306264 448262874 /nfs/dbraw/zinc/26/28/74/448262874.db2.gz WCOYKUPPOSKANR-SFHVURJKSA-N 3 2 338.540 1.103 20 0 EDADLP C[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)[N@H+](C)Cc1ccccc1 ZINC000572026298 448265590 /nfs/dbraw/zinc/26/55/90/448265590.db2.gz YQRNSNUSVGRKEU-ASFAAARLSA-N 2 2 344.459 1.617 20 0 EDADLP C[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)[N@@H+](C)Cc1ccccc1 ZINC000572026298 448265596 /nfs/dbraw/zinc/26/55/96/448265596.db2.gz YQRNSNUSVGRKEU-ASFAAARLSA-N 2 2 344.459 1.617 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(Br)cs3)CCN2C1=O ZINC000572180080 448308917 /nfs/dbraw/zinc/30/89/17/448308917.db2.gz NIKWBHKCIWYIRH-KOLCDFICSA-N 2 2 330.251 1.254 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(Br)cs3)CCN2C1=O ZINC000572180080 448308922 /nfs/dbraw/zinc/30/89/22/448308922.db2.gz NIKWBHKCIWYIRH-KOLCDFICSA-N 2 2 330.251 1.254 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC[C@@H]1COc2ccccc2O1 ZINC000582965286 448390784 /nfs/dbraw/zinc/39/07/84/448390784.db2.gz NZNZIOXQNLVZAC-BEFAXECRSA-N 2 2 345.443 1.018 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC[C@@H]1COc2ccccc2O1 ZINC000582965286 448390790 /nfs/dbraw/zinc/39/07/90/448390790.db2.gz NZNZIOXQNLVZAC-BEFAXECRSA-N 2 2 345.443 1.018 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CO[C@@H](C)C3)CC2)CC1 ZINC000566159369 448399599 /nfs/dbraw/zinc/39/95/99/448399599.db2.gz ZDXQLZXWGLDNPD-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CO[C@@H](C)C3)CC2)CC1 ZINC000566159369 448399602 /nfs/dbraw/zinc/39/96/02/448399602.db2.gz ZDXQLZXWGLDNPD-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000516262889 448405218 /nfs/dbraw/zinc/40/52/18/448405218.db2.gz CHUWDMWHTDXBNV-HOCLYGCPSA-N 2 2 336.505 1.963 20 0 EDADLP COC(C)(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000533482030 448410676 /nfs/dbraw/zinc/41/06/76/448410676.db2.gz DFFCMSLPLUKBHW-UHFFFAOYSA-N 2 2 347.503 1.996 20 0 EDADLP COC(C)(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000533482030 448410684 /nfs/dbraw/zinc/41/06/84/448410684.db2.gz DFFCMSLPLUKBHW-UHFFFAOYSA-N 2 2 347.503 1.996 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000577883930 448411595 /nfs/dbraw/zinc/41/15/95/448411595.db2.gz XWFPUALXFYWXAZ-QGZVFWFLSA-N 2 2 328.497 1.597 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000577883930 448411600 /nfs/dbraw/zinc/41/16/00/448411600.db2.gz XWFPUALXFYWXAZ-QGZVFWFLSA-N 2 2 328.497 1.597 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H](CCO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000591474272 448376167 /nfs/dbraw/zinc/37/61/67/448376167.db2.gz XSWSKIGMLJWUSN-QGZVFWFLSA-N 2 2 346.475 1.215 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H](CCO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000591474272 448376175 /nfs/dbraw/zinc/37/61/75/448376175.db2.gz XSWSKIGMLJWUSN-QGZVFWFLSA-N 2 2 346.475 1.215 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2c(Cl)nc3ccccn32)[C@@H](C[NH3+])C1 ZINC000493193998 448378164 /nfs/dbraw/zinc/37/81/64/448378164.db2.gz YMMMJMAMTBOJOV-FJOGCWAESA-N 2 2 333.823 1.102 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2c(Cl)nc3ccccn32)[C@@H](C[NH3+])C1 ZINC000493193998 448378167 /nfs/dbraw/zinc/37/81/67/448378167.db2.gz YMMMJMAMTBOJOV-FJOGCWAESA-N 2 2 333.823 1.102 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000591504794 448380897 /nfs/dbraw/zinc/38/08/97/448380897.db2.gz LRNZPKIHSIRQEC-ARFHVFGLSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000591504794 448380905 /nfs/dbraw/zinc/38/09/05/448380905.db2.gz LRNZPKIHSIRQEC-ARFHVFGLSA-N 2 2 326.485 1.125 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242049 448427223 /nfs/dbraw/zinc/42/72/23/448427223.db2.gz FEBJYXOYXIPVOG-HXUWFJFHSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566242049 448427230 /nfs/dbraw/zinc/42/72/30/448427230.db2.gz FEBJYXOYXIPVOG-HXUWFJFHSA-N 2 2 345.487 1.874 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)[N@H+](C)C1 ZINC000516498336 448429702 /nfs/dbraw/zinc/42/97/02/448429702.db2.gz JWNLUABBMQZQEJ-HOTGVXAUSA-N 2 2 349.479 1.122 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)[N@@H+](C)C1 ZINC000516498336 448429709 /nfs/dbraw/zinc/42/97/09/448429709.db2.gz JWNLUABBMQZQEJ-HOTGVXAUSA-N 2 2 349.479 1.122 20 0 EDADLP Nc1nc(-n2cccn2)cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)[nH+]1 ZINC000528116314 448435546 /nfs/dbraw/zinc/43/55/46/448435546.db2.gz IKPTXBGQDTZWLT-CQSZACIVSA-N 2 2 327.436 2.063 20 0 EDADLP Nc1nc(-n2cccn2)cc(NC[C@H]2CC[N@H+]2C2CCCCC2)[nH+]1 ZINC000528116314 448435552 /nfs/dbraw/zinc/43/55/52/448435552.db2.gz IKPTXBGQDTZWLT-CQSZACIVSA-N 2 2 327.436 2.063 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000566457264 448478239 /nfs/dbraw/zinc/47/82/39/448478239.db2.gz LEYABLHVURZNJE-ZDUSSCGKSA-N 2 2 329.404 1.341 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000566457264 448478246 /nfs/dbraw/zinc/47/82/46/448478246.db2.gz LEYABLHVURZNJE-ZDUSSCGKSA-N 2 2 329.404 1.341 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000566561623 448508076 /nfs/dbraw/zinc/50/80/76/448508076.db2.gz KTQDQGZHHMZZGU-QZTJIDSGSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000566561623 448508083 /nfs/dbraw/zinc/50/80/83/448508083.db2.gz KTQDQGZHHMZZGU-QZTJIDSGSA-N 2 2 336.476 1.480 20 0 EDADLP [NH3+]CCc1ccccc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000572970246 448510308 /nfs/dbraw/zinc/51/03/08/448510308.db2.gz FIXDMXOEHAGFOF-UHFFFAOYSA-N 2 2 340.427 1.349 20 0 EDADLP COC(=O)[C@H](C)Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000584398658 448511014 /nfs/dbraw/zinc/51/10/14/448511014.db2.gz IODIJJXDWYFDGJ-CJNGLKHVSA-N 2 2 348.447 1.145 20 0 EDADLP COC(=O)[C@H](C)Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000584398658 448511018 /nfs/dbraw/zinc/51/10/18/448511018.db2.gz IODIJJXDWYFDGJ-CJNGLKHVSA-N 2 2 348.447 1.145 20 0 EDADLP CS(=O)(=O)N1CC[C@H](C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000566573634 448511851 /nfs/dbraw/zinc/51/18/51/448511851.db2.gz SIUTUPKUYPSQDP-CQSZACIVSA-N 2 2 338.477 1.239 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)N1CCCCC1 ZINC000591869142 448516076 /nfs/dbraw/zinc/51/60/76/448516076.db2.gz MAOKRSXCSPYZSA-HZPDHXFCSA-N 2 2 347.463 1.037 20 0 EDADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)N1CCCCC1 ZINC000591869142 448516077 /nfs/dbraw/zinc/51/60/77/448516077.db2.gz MAOKRSXCSPYZSA-HZPDHXFCSA-N 2 2 347.463 1.037 20 0 EDADLP C[C@@H]1CC[N@H+](CCc2nnnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000536607508 448533272 /nfs/dbraw/zinc/53/32/72/448533272.db2.gz YTFJQMOCUSVNJQ-WBVHZDCISA-N 2 2 337.431 1.984 20 0 EDADLP C[C@@H]1CC[N@@H+](CCc2nnnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000536607508 448533279 /nfs/dbraw/zinc/53/32/79/448533279.db2.gz YTFJQMOCUSVNJQ-WBVHZDCISA-N 2 2 337.431 1.984 20 0 EDADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000578497659 448560617 /nfs/dbraw/zinc/56/06/17/448560617.db2.gz RUUPTNCJNBAONW-SJORKVTESA-N 3 2 345.491 1.098 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000573087971 448539476 /nfs/dbraw/zinc/53/94/76/448539476.db2.gz BWVWJGXELAFHHV-SNVBAGLBSA-N 2 2 334.317 1.951 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000573087971 448539482 /nfs/dbraw/zinc/53/94/82/448539482.db2.gz BWVWJGXELAFHHV-SNVBAGLBSA-N 2 2 334.317 1.951 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000573090396 448541057 /nfs/dbraw/zinc/54/10/57/448541057.db2.gz CVFFNBDKXMFYTE-IHRRRGAJSA-N 2 2 335.452 1.199 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1C ZINC000573309095 448593258 /nfs/dbraw/zinc/59/32/58/448593258.db2.gz ZHWBAXVAGLVJAJ-OAHLLOKOSA-N 2 2 344.419 1.244 20 0 EDADLP C[NH+]1CCN(C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c2ccccc2)CC1 ZINC000566968474 448593924 /nfs/dbraw/zinc/59/39/24/448593924.db2.gz ROSAJMYKQLOTMB-GJZGRUSLSA-N 2 2 331.382 1.488 20 0 EDADLP CCC[C@@H](C)[C@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000573497283 448643092 /nfs/dbraw/zinc/64/30/92/448643092.db2.gz WJDAVBCJMTZYCN-ZBFHGGJFSA-N 2 2 328.501 1.109 20 0 EDADLP [NH3+]CCCOC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000567266947 448653919 /nfs/dbraw/zinc/65/39/19/448653919.db2.gz OJNMYXMNPKZQEF-UHFFFAOYSA-N 2 2 329.404 1.237 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)c(C)[nH+]1 ZINC000573579966 448664240 /nfs/dbraw/zinc/66/42/40/448664240.db2.gz SDEAPEVRLAFZJS-UHFFFAOYSA-N 2 2 330.432 1.629 20 0 EDADLP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000573604798 448669505 /nfs/dbraw/zinc/66/95/05/448669505.db2.gz BZQINIOOOFYLSF-KRWDZBQOSA-N 2 2 344.459 1.119 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000528683576 448628384 /nfs/dbraw/zinc/62/83/84/448628384.db2.gz YADDSEIVTMBESD-CQSZACIVSA-N 2 2 328.372 1.984 20 0 EDADLP C[N@@H+]1CCN(Cc2cc3c(cc2OC(F)F)OCO3)[C@H](C[NH3+])C1 ZINC000578769062 448634463 /nfs/dbraw/zinc/63/44/63/448634463.db2.gz JMALWNGGTBYMQM-LLVKDONJSA-N 2 2 329.347 1.091 20 0 EDADLP C[N@H+]1CCN(Cc2cc3c(cc2OC(F)F)OCO3)[C@H](C[NH3+])C1 ZINC000578769062 448634465 /nfs/dbraw/zinc/63/44/65/448634465.db2.gz JMALWNGGTBYMQM-LLVKDONJSA-N 2 2 329.347 1.091 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCCOC1 ZINC000542812853 448722255 /nfs/dbraw/zinc/72/22/55/448722255.db2.gz SHNGQGPTWGBTCN-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccon1 ZINC000541622632 448683682 /nfs/dbraw/zinc/68/36/82/448683682.db2.gz RYGOSCJRAWGAHP-HNNXBMFYSA-N 2 2 349.479 1.985 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)c2)CC1 ZINC000567670388 448731527 /nfs/dbraw/zinc/73/15/27/448731527.db2.gz GULIDYDOJIQOLU-APWZRJJASA-N 2 2 342.443 1.041 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000567677295 448734610 /nfs/dbraw/zinc/73/46/10/448734610.db2.gz OSKVALXZTRNCMJ-UKRRQHHQSA-N 2 2 333.388 1.088 20 0 EDADLP CC(C)[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000567679304 448735453 /nfs/dbraw/zinc/73/54/53/448735453.db2.gz RTTNUJBVBXRROW-QZTJIDSGSA-N 2 2 327.513 1.170 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc(Cl)cc3c2OCC3)[C@@H](C[NH3+])C1 ZINC000579332470 448767693 /nfs/dbraw/zinc/76/76/93/448767693.db2.gz IBCQIRJCZXLBKR-AWEZNQCLSA-N 2 2 338.839 1.059 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1csc(C[NH3+])n1 ZINC000579235522 448749363 /nfs/dbraw/zinc/74/93/63/448749363.db2.gz RPNPOJJSDQYTLX-UHFFFAOYSA-N 2 2 333.417 1.394 20 0 EDADLP CCn1c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc2ccccc21 ZINC000579473012 448801990 /nfs/dbraw/zinc/80/19/90/448801990.db2.gz AWJWEZCXJHSARV-HNNXBMFYSA-N 2 2 341.459 1.452 20 0 EDADLP CCn1c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc2ccccc21 ZINC000579473012 448801992 /nfs/dbraw/zinc/80/19/92/448801992.db2.gz AWJWEZCXJHSARV-HNNXBMFYSA-N 2 2 341.459 1.452 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000568078441 448811686 /nfs/dbraw/zinc/81/16/86/448811686.db2.gz RRBFVJBJNJDLKG-JSGCOSHPSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000568078441 448811693 /nfs/dbraw/zinc/81/16/93/448811693.db2.gz RRBFVJBJNJDLKG-JSGCOSHPSA-N 2 2 337.851 1.490 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000574021087 448771308 /nfs/dbraw/zinc/77/13/08/448771308.db2.gz AMKZMZHCVWFVMG-ZBFHGGJFSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000574021087 448771314 /nfs/dbraw/zinc/77/13/14/448771314.db2.gz AMKZMZHCVWFVMG-ZBFHGGJFSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000574021087 448771317 /nfs/dbraw/zinc/77/13/17/448771317.db2.gz AMKZMZHCVWFVMG-ZBFHGGJFSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]cn1 ZINC000574021087 448771322 /nfs/dbraw/zinc/77/13/22/448771322.db2.gz AMKZMZHCVWFVMG-ZBFHGGJFSA-N 2 2 331.464 1.724 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000567986797 448793151 /nfs/dbraw/zinc/79/31/51/448793151.db2.gz DMVBDOVCYPONRT-CYBMUJFWSA-N 2 2 349.826 1.061 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000567986797 448793155 /nfs/dbraw/zinc/79/31/55/448793155.db2.gz DMVBDOVCYPONRT-CYBMUJFWSA-N 2 2 349.826 1.061 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000568163328 448824520 /nfs/dbraw/zinc/82/45/20/448824520.db2.gz URVBJADJIJDJLF-RDBSUJKOSA-N 2 2 335.448 1.693 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000568163328 448824526 /nfs/dbraw/zinc/82/45/26/448824526.db2.gz URVBJADJIJDJLF-RDBSUJKOSA-N 2 2 335.448 1.693 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000568165053 448826207 /nfs/dbraw/zinc/82/62/07/448826207.db2.gz FZPFYUKVQUYRQH-MRXNPFEDSA-N 2 2 340.427 1.599 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000568165053 448826213 /nfs/dbraw/zinc/82/62/13/448826213.db2.gz FZPFYUKVQUYRQH-MRXNPFEDSA-N 2 2 340.427 1.599 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000586876952 448832317 /nfs/dbraw/zinc/83/23/17/448832317.db2.gz VDULURRYYCSDNI-UHFFFAOYSA-N 2 2 347.463 1.024 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000586876952 448832321 /nfs/dbraw/zinc/83/23/21/448832321.db2.gz VDULURRYYCSDNI-UHFFFAOYSA-N 2 2 347.463 1.024 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000574297122 448839782 /nfs/dbraw/zinc/83/97/82/448839782.db2.gz FOUYQCCQEJMPDB-ZDUSSCGKSA-N 2 2 339.509 1.073 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529378092 448849349 /nfs/dbraw/zinc/84/93/49/448849349.db2.gz TXFLRRVWAVTCBT-UKRRQHHQSA-N 2 2 338.477 1.125 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519830120 448854953 /nfs/dbraw/zinc/85/49/53/448854953.db2.gz AFSLLKVLZBPSHC-MRXNPFEDSA-N 2 2 334.460 1.482 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519830120 448854958 /nfs/dbraw/zinc/85/49/58/448854958.db2.gz AFSLLKVLZBPSHC-MRXNPFEDSA-N 2 2 334.460 1.482 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519830120 448854962 /nfs/dbraw/zinc/85/49/62/448854962.db2.gz AFSLLKVLZBPSHC-MRXNPFEDSA-N 2 2 334.460 1.482 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519830120 448854969 /nfs/dbraw/zinc/85/49/69/448854969.db2.gz AFSLLKVLZBPSHC-MRXNPFEDSA-N 2 2 334.460 1.482 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000568341820 448856293 /nfs/dbraw/zinc/85/62/93/448856293.db2.gz ZGXFEUDTJZFWTK-ZDUSSCGKSA-N 2 2 329.404 1.634 20 0 EDADLP C[C@H](CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)n1cc[nH+]c1 ZINC000520236034 448876206 /nfs/dbraw/zinc/87/62/06/448876206.db2.gz KAFIBODXIFGDGD-OAHLLOKOSA-N 2 2 342.447 1.297 20 0 EDADLP COc1ccccc1[C@]1(C)C[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574384465 448860169 /nfs/dbraw/zinc/86/01/69/448860169.db2.gz NVQFZWPOFIFPRU-QBIMZIAESA-N 2 2 332.448 1.010 20 0 EDADLP COc1ccccc1[C@]1(C)C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574384465 448860174 /nfs/dbraw/zinc/86/01/74/448860174.db2.gz NVQFZWPOFIFPRU-QBIMZIAESA-N 2 2 332.448 1.010 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000579958594 448922256 /nfs/dbraw/zinc/92/22/56/448922256.db2.gz KTBCWZOCMMEFDU-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)c1 ZINC000579958594 448922263 /nfs/dbraw/zinc/92/22/63/448922263.db2.gz KTBCWZOCMMEFDU-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000568863984 448929160 /nfs/dbraw/zinc/92/91/60/448929160.db2.gz OPVCJZXATCRXBK-GJZGRUSLSA-N 2 2 338.452 1.249 20 0 EDADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000520393228 448891202 /nfs/dbraw/zinc/89/12/02/448891202.db2.gz XGNZDBDLSYCIOI-LEAZDLGRSA-N 3 2 347.503 1.619 20 0 EDADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000520393228 448891206 /nfs/dbraw/zinc/89/12/06/448891206.db2.gz XGNZDBDLSYCIOI-LEAZDLGRSA-N 3 2 347.503 1.619 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000520404274 448893773 /nfs/dbraw/zinc/89/37/73/448893773.db2.gz ZCKXPMUPTLEOQR-CYBMUJFWSA-N 2 2 345.365 1.619 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000520404274 448893778 /nfs/dbraw/zinc/89/37/78/448893778.db2.gz ZCKXPMUPTLEOQR-CYBMUJFWSA-N 2 2 345.365 1.619 20 0 EDADLP CCOC(=O)C[N@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521067350 448953211 /nfs/dbraw/zinc/95/32/11/448953211.db2.gz OGJFULNZNJQVBY-UHFFFAOYSA-N 2 2 348.447 1.005 20 0 EDADLP CCOC(=O)C[N@@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000521067350 448953215 /nfs/dbraw/zinc/95/32/15/448953215.db2.gz OGJFULNZNJQVBY-UHFFFAOYSA-N 2 2 348.447 1.005 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)CCN2C1=O ZINC000569237513 448987582 /nfs/dbraw/zinc/98/75/82/448987582.db2.gz LGOIQZXNHPRPDE-GJZGRUSLSA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)CCN2C1=O ZINC000569237513 448987583 /nfs/dbraw/zinc/98/75/83/448987583.db2.gz LGOIQZXNHPRPDE-GJZGRUSLSA-N 2 2 346.818 1.739 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC[C@@H]1Cc2ccccc2O1 ZINC000569337161 449006160 /nfs/dbraw/zinc/00/61/60/449006160.db2.gz GSYUMTCLQSZJBM-FGTMMUONSA-N 2 2 343.471 1.570 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC[C@@H]1Cc2ccccc2O1 ZINC000569337161 449006162 /nfs/dbraw/zinc/00/61/62/449006162.db2.gz GSYUMTCLQSZJBM-FGTMMUONSA-N 2 2 343.471 1.570 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000575038258 449018204 /nfs/dbraw/zinc/01/82/04/449018204.db2.gz FAOKNRGUEIWQOS-RBUKOAKNSA-N 3 2 344.503 1.824 20 0 EDADLP CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000575038258 449018206 /nfs/dbraw/zinc/01/82/06/449018206.db2.gz FAOKNRGUEIWQOS-RBUKOAKNSA-N 2 2 344.503 1.824 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000521455376 448988655 /nfs/dbraw/zinc/98/86/55/448988655.db2.gz ALPKCTODDRTHRR-HXUWFJFHSA-N 2 2 347.503 1.670 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000521455376 448988658 /nfs/dbraw/zinc/98/86/58/448988658.db2.gz ALPKCTODDRTHRR-HXUWFJFHSA-N 2 2 347.503 1.670 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530215898 449084285 /nfs/dbraw/zinc/08/42/85/449084285.db2.gz KDEUTSJWFAXIBP-CVEARBPZSA-N 2 2 335.473 1.586 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000569572626 449046699 /nfs/dbraw/zinc/04/66/99/449046699.db2.gz ARGSZYNTBZHDBT-MRXNPFEDSA-N 2 2 347.463 1.275 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000569572626 449046707 /nfs/dbraw/zinc/04/67/07/449046707.db2.gz ARGSZYNTBZHDBT-MRXNPFEDSA-N 2 2 347.463 1.275 20 0 EDADLP FC1(F)Oc2cccc(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)c2O1 ZINC000530219106 449084753 /nfs/dbraw/zinc/08/47/53/449084753.db2.gz ZCYXDZAFABWHEX-GJZGRUSLSA-N 2 2 340.370 1.907 20 0 EDADLP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000530217061 449085013 /nfs/dbraw/zinc/08/50/13/449085013.db2.gz DWTDSIZXNNKOSE-MSOLQXFVSA-N 2 2 349.450 1.279 20 0 EDADLP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000530217061 449085022 /nfs/dbraw/zinc/08/50/22/449085022.db2.gz DWTDSIZXNNKOSE-MSOLQXFVSA-N 2 2 349.450 1.279 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1 ZINC000530231732 449089132 /nfs/dbraw/zinc/08/91/32/449089132.db2.gz LHKCUKTTXKASPN-GOSISDBHSA-N 2 2 347.503 1.924 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000590104018 449106548 /nfs/dbraw/zinc/10/65/48/449106548.db2.gz DMAYTOQEXBQJOX-IRXDYDNUSA-N 2 2 333.501 1.987 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000590104018 449106555 /nfs/dbraw/zinc/10/65/55/449106555.db2.gz DMAYTOQEXBQJOX-IRXDYDNUSA-N 2 2 333.501 1.987 20 0 EDADLP CS[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000593384901 449256300 /nfs/dbraw/zinc/25/63/00/449256300.db2.gz WULLXGAMYMBOBN-HZPDHXFCSA-N 2 2 342.553 1.986 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)(C)C ZINC000604752345 449289882 /nfs/dbraw/zinc/28/98/82/449289882.db2.gz JBHMHWBEUKHLDI-CQSZACIVSA-N 2 2 330.436 1.759 20 0 EDADLP CC(=O)N1CCC([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000604769554 449292996 /nfs/dbraw/zinc/29/29/96/449292996.db2.gz SEOJSOCOIQWSKF-FQEVSTJZSA-N 2 2 345.487 1.614 20 0 EDADLP CC(=O)N1CCC([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000604769554 449293002 /nfs/dbraw/zinc/29/30/02/449293002.db2.gz SEOJSOCOIQWSKF-FQEVSTJZSA-N 2 2 345.487 1.614 20 0 EDADLP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000590851765 449320294 /nfs/dbraw/zinc/32/02/94/449320294.db2.gz LBFNPRJYTNFYQC-QGZVFWFLSA-N 2 2 348.495 1.256 20 0 EDADLP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000590851765 449320299 /nfs/dbraw/zinc/32/02/99/449320299.db2.gz LBFNPRJYTNFYQC-QGZVFWFLSA-N 2 2 348.495 1.256 20 0 EDADLP Cc1cc(C)cc(OCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602204461 449431966 /nfs/dbraw/zinc/43/19/66/449431966.db2.gz IPHUODHLXLVNED-KRWDZBQOSA-N 2 2 345.487 1.967 20 0 EDADLP Cc1cc(C)cc(OCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602204461 449431974 /nfs/dbraw/zinc/43/19/74/449431974.db2.gz IPHUODHLXLVNED-KRWDZBQOSA-N 2 2 345.487 1.967 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000606660607 449499964 /nfs/dbraw/zinc/49/99/64/449499964.db2.gz VGJRUAIMEYYLSA-SFHVURJKSA-N 2 2 330.476 1.984 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000606660607 449499970 /nfs/dbraw/zinc/49/99/70/449499970.db2.gz VGJRUAIMEYYLSA-SFHVURJKSA-N 2 2 330.476 1.984 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)n2c1CCCC2 ZINC000598645014 449514953 /nfs/dbraw/zinc/51/49/53/449514953.db2.gz XBBDPOPNSQKAOL-GFCCVEGCSA-N 2 2 328.416 1.981 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)n2c1CCCC2 ZINC000598645014 449514958 /nfs/dbraw/zinc/51/49/58/449514958.db2.gz XBBDPOPNSQKAOL-GFCCVEGCSA-N 2 2 328.416 1.981 20 0 EDADLP CCC[N@H+](C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000607337259 449597888 /nfs/dbraw/zinc/59/78/88/449597888.db2.gz JHNKMWBFYUEJCQ-UHFFFAOYSA-N 2 2 346.475 1.745 20 0 EDADLP CCC[N@@H+](C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000607337259 449597893 /nfs/dbraw/zinc/59/78/93/449597893.db2.gz JHNKMWBFYUEJCQ-UHFFFAOYSA-N 2 2 346.475 1.745 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000596691614 449609526 /nfs/dbraw/zinc/60/95/26/449609526.db2.gz OPKJZRAIUQQTGJ-UHFFFAOYSA-N 2 2 329.448 1.595 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000607904591 449662621 /nfs/dbraw/zinc/66/26/21/449662621.db2.gz XSGMKMUZVVDVDS-RDJZCZTQSA-N 2 2 325.497 1.581 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000607904591 449662626 /nfs/dbraw/zinc/66/26/26/449662626.db2.gz XSGMKMUZVVDVDS-RDJZCZTQSA-N 2 2 325.497 1.581 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NC3(C[NH3+])CCOCC3)cn2c1 ZINC000602545548 449664879 /nfs/dbraw/zinc/66/48/79/449664879.db2.gz FIEMCDKIZMBAMI-UHFFFAOYSA-N 2 2 348.472 1.500 20 0 EDADLP CCOC(=O)CCc1cc(NCC2CC[NH+](C3CC3)CC2)nc(C)[nH+]1 ZINC000601154370 449720983 /nfs/dbraw/zinc/72/09/83/449720983.db2.gz IADSHVGXTBVRNB-UHFFFAOYSA-N 2 2 346.475 2.567 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H](C)C1CCCCC1 ZINC000602647744 449727790 /nfs/dbraw/zinc/72/77/90/449727790.db2.gz MPYJHOGBCBYXML-KRWDZBQOSA-N 2 2 339.524 1.925 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H](C)C1CCCCC1 ZINC000602647744 449727794 /nfs/dbraw/zinc/72/77/94/449727794.db2.gz MPYJHOGBCBYXML-KRWDZBQOSA-N 2 2 339.524 1.925 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612577774 449783088 /nfs/dbraw/zinc/78/30/88/449783088.db2.gz FBVJKMWWXZSCHW-XWIAVFTESA-N 2 2 346.475 1.399 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612577774 449783094 /nfs/dbraw/zinc/78/30/94/449783094.db2.gz FBVJKMWWXZSCHW-XWIAVFTESA-N 2 2 346.475 1.399 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(c2cc(CC(=O)OC)cc[nH+]2)CC1 ZINC000599183431 449783295 /nfs/dbraw/zinc/78/32/95/449783295.db2.gz NHEXHEKGJNJJOC-UHFFFAOYSA-N 2 2 347.459 1.878 20 0 EDADLP C[C@H](CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)n1cc[nH+]c1 ZINC000617696557 449741401 /nfs/dbraw/zinc/74/14/01/449741401.db2.gz LRTBPVHQOHMSQO-CRAIPNDOSA-N 2 2 342.443 1.717 20 0 EDADLP C[C@H](CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)n1cc[nH+]c1 ZINC000617696557 449741406 /nfs/dbraw/zinc/74/14/06/449741406.db2.gz LRTBPVHQOHMSQO-CRAIPNDOSA-N 2 2 342.443 1.717 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608133324 449760553 /nfs/dbraw/zinc/76/05/53/449760553.db2.gz QBJPMCMDNCNPEH-RHSMWYFYSA-N 2 2 345.491 1.142 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608133324 449760556 /nfs/dbraw/zinc/76/05/56/449760556.db2.gz QBJPMCMDNCNPEH-RHSMWYFYSA-N 2 2 345.491 1.142 20 0 EDADLP COc1ccc(-c2cc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)on2)cc1 ZINC000594876420 449789196 /nfs/dbraw/zinc/78/91/96/449789196.db2.gz YMRAWRREXKZJQL-XJKSGUPXSA-N 2 2 342.399 1.094 20 0 EDADLP COc1ccc(-c2cc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)on2)cc1 ZINC000594876420 449789204 /nfs/dbraw/zinc/78/92/04/449789204.db2.gz YMRAWRREXKZJQL-XJKSGUPXSA-N 2 2 342.399 1.094 20 0 EDADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000594943545 449816253 /nfs/dbraw/zinc/81/62/53/449816253.db2.gz LAAJITGUFUZLMR-HNONPPJISA-N 2 2 332.444 1.193 20 0 EDADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000594943545 449816256 /nfs/dbraw/zinc/81/62/56/449816256.db2.gz LAAJITGUFUZLMR-HNONPPJISA-N 2 2 332.444 1.193 20 0 EDADLP C[C@@H](CSCCF)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000595034262 449845774 /nfs/dbraw/zinc/84/57/74/449845774.db2.gz TZZKLAXEYBXCFS-QWHCGFSZSA-N 2 2 328.457 1.592 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(OC(C)(C)C)cn1 ZINC000617763389 449823023 /nfs/dbraw/zinc/82/30/23/449823023.db2.gz PGBCJHBZGHNXMD-UHFFFAOYSA-N 2 2 336.480 1.872 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(OC(C)(C)C)cn1 ZINC000617763389 449823031 /nfs/dbraw/zinc/82/30/31/449823031.db2.gz PGBCJHBZGHNXMD-UHFFFAOYSA-N 2 2 336.480 1.872 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000617765906 449827256 /nfs/dbraw/zinc/82/72/56/449827256.db2.gz VOWQDMAIAMFFJC-KRWDZBQOSA-N 3 2 338.540 1.641 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000617765906 449827260 /nfs/dbraw/zinc/82/72/60/449827260.db2.gz VOWQDMAIAMFFJC-KRWDZBQOSA-N 3 2 338.540 1.641 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617765906 449827266 /nfs/dbraw/zinc/82/72/66/449827266.db2.gz VOWQDMAIAMFFJC-KRWDZBQOSA-N 3 2 338.540 1.641 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617765906 449827268 /nfs/dbraw/zinc/82/72/68/449827268.db2.gz VOWQDMAIAMFFJC-KRWDZBQOSA-N 3 2 338.540 1.641 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1[nH]nnc1-c1ccccc1 ZINC000617765185 449827435 /nfs/dbraw/zinc/82/74/35/449827435.db2.gz WRXGTSTYNHWPSY-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1[nH]nnc1-c1ccccc1 ZINC000617765185 449827442 /nfs/dbraw/zinc/82/74/42/449827442.db2.gz WRXGTSTYNHWPSY-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000617765185 449827447 /nfs/dbraw/zinc/82/74/47/449827447.db2.gz WRXGTSTYNHWPSY-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000617765185 449827453 /nfs/dbraw/zinc/82/74/53/449827453.db2.gz WRXGTSTYNHWPSY-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000617766161 449829811 /nfs/dbraw/zinc/82/98/11/449829811.db2.gz AAQWVEOBXNPUSA-INIZCTEOSA-N 2 2 333.476 1.943 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCOc2ccccc21 ZINC000617766161 449829819 /nfs/dbraw/zinc/82/98/19/449829819.db2.gz AAQWVEOBXNPUSA-INIZCTEOSA-N 2 2 333.476 1.943 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c(C)c1 ZINC000601331801 449839872 /nfs/dbraw/zinc/83/98/72/449839872.db2.gz HCWZHDPEJNRTRN-KDOFPFPSSA-N 2 2 330.432 1.683 20 0 EDADLP COc1cccc([C@H](NC(=O)[C@H]2CCC[N@@H+]2C)c2[nH+]ccn2C)c1 ZINC000599391590 449937542 /nfs/dbraw/zinc/93/75/42/449937542.db2.gz KSLBXCDMLHYXRW-CVEARBPZSA-N 2 2 328.416 1.729 20 0 EDADLP COc1cccc([C@H](NC(=O)[C@H]2CCC[N@H+]2C)c2[nH+]ccn2C)c1 ZINC000599391590 449937548 /nfs/dbraw/zinc/93/75/48/449937548.db2.gz KSLBXCDMLHYXRW-CVEARBPZSA-N 2 2 328.416 1.729 20 0 EDADLP CN(Cc1ccon1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000608718890 449919611 /nfs/dbraw/zinc/91/96/11/449919611.db2.gz IUJFPSFQMZTMAU-UHFFFAOYSA-N 2 2 349.479 1.766 20 0 EDADLP CO[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCC1 ZINC000613004451 449979088 /nfs/dbraw/zinc/97/90/88/449979088.db2.gz BEGLNNRPXKNBFN-SWDXFRIISA-N 2 2 349.519 1.961 20 0 EDADLP CO[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCCC1 ZINC000613004451 449979091 /nfs/dbraw/zinc/97/90/91/449979091.db2.gz BEGLNNRPXKNBFN-SWDXFRIISA-N 2 2 349.519 1.961 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000601476981 450000319 /nfs/dbraw/zinc/00/03/19/450000319.db2.gz NKEDHMWMDNPQJA-QZTJIDSGSA-N 3 2 336.524 1.488 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000601476981 450000322 /nfs/dbraw/zinc/00/03/22/450000322.db2.gz NKEDHMWMDNPQJA-QZTJIDSGSA-N 3 2 336.524 1.488 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476981 450000327 /nfs/dbraw/zinc/00/03/27/450000327.db2.gz NKEDHMWMDNPQJA-QZTJIDSGSA-N 3 2 336.524 1.488 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476981 450000329 /nfs/dbraw/zinc/00/03/29/450000329.db2.gz NKEDHMWMDNPQJA-QZTJIDSGSA-N 3 2 336.524 1.488 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584758 450086213 /nfs/dbraw/zinc/08/62/13/450086213.db2.gz WRLPIMDRDUMZIW-KBMXLJTQSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584758 450086216 /nfs/dbraw/zinc/08/62/16/450086216.db2.gz WRLPIMDRDUMZIW-KBMXLJTQSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584758 450086217 /nfs/dbraw/zinc/08/62/17/450086217.db2.gz WRLPIMDRDUMZIW-KBMXLJTQSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584758 450086219 /nfs/dbraw/zinc/08/62/19/450086219.db2.gz WRLPIMDRDUMZIW-KBMXLJTQSA-N 2 2 326.481 1.741 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc[nH+]c(N(C)C)c3)C2)CC1 ZINC000603145009 450092039 /nfs/dbraw/zinc/09/20/39/450092039.db2.gz WWQGALSCJYULAQ-MRXNPFEDSA-N 2 2 346.479 1.391 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595394388 450108730 /nfs/dbraw/zinc/10/87/30/450108730.db2.gz WMRZDUGYAFWWBM-UONOGXRCSA-N 2 2 348.447 1.152 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595394388 450108731 /nfs/dbraw/zinc/10/87/31/450108731.db2.gz WMRZDUGYAFWWBM-UONOGXRCSA-N 2 2 348.447 1.152 20 0 EDADLP Oc1ccc(Cl)c(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000625287756 450275015 /nfs/dbraw/zinc/27/50/15/450275015.db2.gz MBIRHBRFFLWFJB-UHFFFAOYSA-N 2 2 340.851 1.705 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000615907643 450269206 /nfs/dbraw/zinc/26/92/06/450269206.db2.gz GAGRXLSZOGNGPO-MRXNPFEDSA-N 2 2 337.468 1.319 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000619899764 450366394 /nfs/dbraw/zinc/36/63/94/450366394.db2.gz RWQWOGSOTZOYLB-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000619899764 450366401 /nfs/dbraw/zinc/36/64/01/450366401.db2.gz RWQWOGSOTZOYLB-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000625628606 450457986 /nfs/dbraw/zinc/45/79/86/450457986.db2.gz VMTAKVNERYAJJX-INIZCTEOSA-N 2 2 340.439 1.608 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000625628606 450457988 /nfs/dbraw/zinc/45/79/88/450457988.db2.gz VMTAKVNERYAJJX-INIZCTEOSA-N 2 2 340.439 1.608 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623351876 450503013 /nfs/dbraw/zinc/50/30/13/450503013.db2.gz HEXCKXXFJWUXHU-HNNXBMFYSA-N 2 2 339.505 1.899 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623351876 450503016 /nfs/dbraw/zinc/50/30/16/450503016.db2.gz HEXCKXXFJWUXHU-HNNXBMFYSA-N 2 2 339.505 1.899 20 0 EDADLP [NH3+]CCCOCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000625835258 450518185 /nfs/dbraw/zinc/51/81/85/450518185.db2.gz PKWNONBWSKQEPU-UHFFFAOYSA-N 2 2 341.481 1.616 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000623476849 450527773 /nfs/dbraw/zinc/52/77/73/450527773.db2.gz RHEQHSIEOQOOKL-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000623476849 450527776 /nfs/dbraw/zinc/52/77/76/450527776.db2.gz RHEQHSIEOQOOKL-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623476849 450527778 /nfs/dbraw/zinc/52/77/78/450527778.db2.gz RHEQHSIEOQOOKL-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623476849 450527781 /nfs/dbraw/zinc/52/77/81/450527781.db2.gz RHEQHSIEOQOOKL-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000623618054 450552360 /nfs/dbraw/zinc/55/23/60/450552360.db2.gz AVNQLLWWYCFIKC-HNNXBMFYSA-N 2 2 333.432 1.277 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000623618770 450553186 /nfs/dbraw/zinc/55/31/86/450553186.db2.gz DJRCRHACBNFWMA-KBPBESRZSA-N 2 2 338.477 1.424 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000623618770 450553188 /nfs/dbraw/zinc/55/31/88/450553188.db2.gz DJRCRHACBNFWMA-KBPBESRZSA-N 2 2 338.477 1.424 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000626088569 450573362 /nfs/dbraw/zinc/57/33/62/450573362.db2.gz DUDAMVWBRPPFQW-KRWDZBQOSA-N 2 2 325.497 1.284 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000626088569 450573364 /nfs/dbraw/zinc/57/33/64/450573364.db2.gz DUDAMVWBRPPFQW-KRWDZBQOSA-N 2 2 325.497 1.284 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CCN2CCO[C@@H](C)C2)CC1 ZINC000626088569 450573366 /nfs/dbraw/zinc/57/33/66/450573366.db2.gz DUDAMVWBRPPFQW-KRWDZBQOSA-N 2 2 325.497 1.284 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000623726215 450573849 /nfs/dbraw/zinc/57/38/49/450573849.db2.gz FPZDVLUHHABEIM-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000623726215 450573851 /nfs/dbraw/zinc/57/38/51/450573851.db2.gz FPZDVLUHHABEIM-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623726215 450573854 /nfs/dbraw/zinc/57/38/54/450573854.db2.gz FPZDVLUHHABEIM-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623726215 450573855 /nfs/dbraw/zinc/57/38/55/450573855.db2.gz FPZDVLUHHABEIM-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626127892 450579837 /nfs/dbraw/zinc/57/98/37/450579837.db2.gz ZQPKQZBHQDEYFF-JKSUJKDBSA-N 2 2 340.439 1.563 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626127892 450579838 /nfs/dbraw/zinc/57/98/38/450579838.db2.gz ZQPKQZBHQDEYFF-JKSUJKDBSA-N 2 2 340.439 1.563 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626127892 450579839 /nfs/dbraw/zinc/57/98/39/450579839.db2.gz ZQPKQZBHQDEYFF-JKSUJKDBSA-N 2 2 340.439 1.563 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626127892 450579840 /nfs/dbraw/zinc/57/98/40/450579840.db2.gz ZQPKQZBHQDEYFF-JKSUJKDBSA-N 2 2 340.439 1.563 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[NH2+]1 ZINC000621158372 450605694 /nfs/dbraw/zinc/60/56/94/450605694.db2.gz NZEGHRIJMPUPBP-SFHVURJKSA-N 2 2 326.444 1.930 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000623837321 450608625 /nfs/dbraw/zinc/60/86/25/450608625.db2.gz XSCRRMORKYPJGD-QGZVFWFLSA-N 2 2 327.432 1.697 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000623837321 450608632 /nfs/dbraw/zinc/60/86/32/450608632.db2.gz XSCRRMORKYPJGD-QGZVFWFLSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)nnn1-c1ccc(F)cc1 ZINC000629522140 450725234 /nfs/dbraw/zinc/72/52/34/450725234.db2.gz WBBVQYRDEYLZOB-LBPRGKRZSA-N 2 2 333.411 1.873 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000629565282 450739896 /nfs/dbraw/zinc/73/98/96/450739896.db2.gz FDOFJYVMCOILHR-UHFFFAOYSA-N 2 2 344.253 1.555 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000629565282 450739899 /nfs/dbraw/zinc/73/98/99/450739899.db2.gz FDOFJYVMCOILHR-UHFFFAOYSA-N 2 2 344.253 1.555 20 0 EDADLP O=C1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1c1cccc(Cl)c1 ZINC000629566869 450739995 /nfs/dbraw/zinc/73/99/95/450739995.db2.gz IUQMXDXXNCMYMC-JKSUJKDBSA-N 2 2 337.851 1.492 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746840 450747804 /nfs/dbraw/zinc/74/78/04/450747804.db2.gz TYOMBNQMTOXZSQ-YJBOKZPZSA-N 2 2 338.459 1.560 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000629673369 450776934 /nfs/dbraw/zinc/77/69/34/450776934.db2.gz IHVFLLPZXFFNRN-OAHLLOKOSA-N 2 2 328.416 1.700 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631843572 450812899 /nfs/dbraw/zinc/81/28/99/450812899.db2.gz PUMOAGUZLNEZAL-GDBMZVCRSA-N 2 2 346.475 1.634 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631843572 450812901 /nfs/dbraw/zinc/81/29/01/450812901.db2.gz PUMOAGUZLNEZAL-GDBMZVCRSA-N 2 2 346.475 1.634 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCOc1cccc(F)c1 ZINC000631885711 450846827 /nfs/dbraw/zinc/84/68/27/450846827.db2.gz BIWOFDSJJHCLCH-YOEHRIQHSA-N 2 2 335.423 1.395 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCOc1cccc(F)c1 ZINC000631885711 450846834 /nfs/dbraw/zinc/84/68/34/450846834.db2.gz BIWOFDSJJHCLCH-YOEHRIQHSA-N 2 2 335.423 1.395 20 0 EDADLP CCn1nccc1CC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000621776886 450863730 /nfs/dbraw/zinc/86/37/30/450863730.db2.gz ZGYBXTPKWAXLNV-UHFFFAOYSA-N 2 2 329.452 1.020 20 0 EDADLP CCC(C)(C)[C@@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000635458075 450957660 /nfs/dbraw/zinc/95/76/60/450957660.db2.gz QPZXRUHOEZAEJX-INIZCTEOSA-N 2 2 325.497 1.458 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626851283 450958272 /nfs/dbraw/zinc/95/82/72/450958272.db2.gz VWDIUOJAJLRIAB-OAHLLOKOSA-N 2 2 339.399 1.212 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000635471221 450970937 /nfs/dbraw/zinc/97/09/37/450970937.db2.gz HSBOZTDJJBEBAC-UHFFFAOYSA-N 2 2 334.424 1.503 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000626927468 451010352 /nfs/dbraw/zinc/01/03/52/451010352.db2.gz OXAGXCFNSJEHJO-GLQYFDAESA-N 2 2 331.395 1.698 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCOCCC[NH3+])c1ccccc1F ZINC000626927542 451010633 /nfs/dbraw/zinc/01/06/33/451010633.db2.gz RDFJKSWNTMSFMV-OAHLLOKOSA-N 2 2 349.410 1.313 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000626927707 451011773 /nfs/dbraw/zinc/01/17/73/451011773.db2.gz YQRULNXRNOTOJR-ARFHVFGLSA-N 2 2 327.432 1.949 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCOCC2)cc1 ZINC000626944429 451023291 /nfs/dbraw/zinc/02/32/91/451023291.db2.gz QEANWCPUPFQJHB-CGTJXYLNSA-N 2 2 346.475 1.418 20 0 EDADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)[C@@H]1C[NH+]2CCC1CC2 ZINC000635549409 451045510 /nfs/dbraw/zinc/04/55/10/451045510.db2.gz LQFWIZFOIVYNLT-MRXNPFEDSA-N 2 2 326.400 1.744 20 0 EDADLP CC(C)(O)C[NH+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635532696 451028197 /nfs/dbraw/zinc/02/81/97/451028197.db2.gz NLFPSJUKQMCLQU-LBPRGKRZSA-N 2 2 348.369 1.292 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000635538169 451033807 /nfs/dbraw/zinc/03/38/07/451033807.db2.gz GRRBVTKDVWKSFB-ZDUSSCGKSA-N 2 2 330.388 1.028 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000635538169 451033813 /nfs/dbraw/zinc/03/38/13/451033813.db2.gz GRRBVTKDVWKSFB-ZDUSSCGKSA-N 2 2 330.388 1.028 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000622132907 451058932 /nfs/dbraw/zinc/05/89/32/451058932.db2.gz JVXJZKVNNUIRDV-INIZCTEOSA-N 2 2 347.507 1.286 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000622132907 451058934 /nfs/dbraw/zinc/05/89/34/451058934.db2.gz JVXJZKVNNUIRDV-INIZCTEOSA-N 2 2 347.507 1.286 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000622143634 451063952 /nfs/dbraw/zinc/06/39/52/451063952.db2.gz CKAIXYMTRIMOIB-UXLLHSPISA-N 2 2 341.496 1.005 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000622143634 451063955 /nfs/dbraw/zinc/06/39/55/451063955.db2.gz CKAIXYMTRIMOIB-UXLLHSPISA-N 2 2 341.496 1.005 20 0 EDADLP C[C@@H](CNC(=O)C[N@H+](C)CCc1ccccc1)C[NH+]1CCOCC1 ZINC000635591872 451089797 /nfs/dbraw/zinc/08/97/97/451089797.db2.gz QAYKKTCHTLWLCX-KRWDZBQOSA-N 2 2 333.476 1.245 20 0 EDADLP C[C@@H](CNC(=O)C[N@@H+](C)CCc1ccccc1)C[NH+]1CCOCC1 ZINC000635591872 451089798 /nfs/dbraw/zinc/08/97/98/451089798.db2.gz QAYKKTCHTLWLCX-KRWDZBQOSA-N 2 2 333.476 1.245 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000635612770 451104587 /nfs/dbraw/zinc/10/45/87/451104587.db2.gz XPHNWCGIJWEFPK-LJQANCHMSA-N 2 2 345.487 1.342 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000635612770 451104588 /nfs/dbraw/zinc/10/45/88/451104588.db2.gz XPHNWCGIJWEFPK-LJQANCHMSA-N 2 2 345.487 1.342 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCSC1 ZINC000635650025 451135663 /nfs/dbraw/zinc/13/56/63/451135663.db2.gz ZCSNEHRWAJBJHN-KRWDZBQOSA-N 2 2 346.456 1.745 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627149880 451148267 /nfs/dbraw/zinc/14/82/67/451148267.db2.gz RWLABMWFNQZPRT-CQSZACIVSA-N 2 2 335.452 1.648 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000635607182 451100503 /nfs/dbraw/zinc/10/05/03/451100503.db2.gz LXJRXJCOGDLXDR-UWWQBHOKSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000635607182 451100508 /nfs/dbraw/zinc/10/05/08/451100508.db2.gz LXJRXJCOGDLXDR-UWWQBHOKSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000635607182 451100515 /nfs/dbraw/zinc/10/05/15/451100515.db2.gz LXJRXJCOGDLXDR-UWWQBHOKSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000635607182 451100522 /nfs/dbraw/zinc/10/05/22/451100522.db2.gz LXJRXJCOGDLXDR-UWWQBHOKSA-N 2 2 331.460 1.868 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627179641 451168665 /nfs/dbraw/zinc/16/86/65/451168665.db2.gz YMGUDFCRVRVHQV-JSGCOSHPSA-N 2 2 334.468 1.760 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635713861 451192934 /nfs/dbraw/zinc/19/29/34/451192934.db2.gz HLTYHDUVLZBEIY-GOSISDBHSA-N 2 2 333.476 1.076 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635713861 451192937 /nfs/dbraw/zinc/19/29/37/451192937.db2.gz HLTYHDUVLZBEIY-GOSISDBHSA-N 2 2 333.476 1.076 20 0 EDADLP C[NH+]1CCC(CCO)(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000632322239 451197621 /nfs/dbraw/zinc/19/76/21/451197621.db2.gz MHWJPBCPDMVOSY-UHFFFAOYSA-N 2 2 342.443 1.378 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000627240776 451204822 /nfs/dbraw/zinc/20/48/22/451204822.db2.gz XSSOAYAAIFAKEJ-GOEBONIOSA-N 2 2 327.432 1.823 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2c[nH]c3c2cccc3Cl)[C@H](C[NH3+])C1 ZINC000627255762 451213422 /nfs/dbraw/zinc/21/34/22/451213422.db2.gz ZXTNMTCJCQLAHI-CYBMUJFWSA-N 2 2 349.866 1.648 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2c[nH]c3c2cccc3Cl)[C@H](C[NH3+])C1 ZINC000627255762 451213426 /nfs/dbraw/zinc/21/34/26/451213426.db2.gz ZXTNMTCJCQLAHI-CYBMUJFWSA-N 2 2 349.866 1.648 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCOC[C@@H]3CCCO3)c2)CC1 ZINC000634193810 451229195 /nfs/dbraw/zinc/22/91/95/451229195.db2.gz BWPWYIWBCNNYCE-INIZCTEOSA-N 2 2 348.447 1.358 20 0 EDADLP CC(C)NC(=O)CCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195614 451232226 /nfs/dbraw/zinc/23/22/26/451232226.db2.gz YLNDTQFLYRWMML-UHFFFAOYSA-N 2 2 347.463 1.467 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCc3nccs3)c2)CC1 ZINC000634195578 451232399 /nfs/dbraw/zinc/23/23/99/451232399.db2.gz XICUZWPZENMWHR-UHFFFAOYSA-N 2 2 331.445 1.861 20 0 EDADLP C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1cnn(C)c1 ZINC000634196152 451234299 /nfs/dbraw/zinc/23/42/99/451234299.db2.gz MZDOWPMLBRCVDY-CYBMUJFWSA-N 2 2 328.420 1.309 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302907 451285747 /nfs/dbraw/zinc/28/57/47/451285747.db2.gz YEIRPYABKGYJMK-UHFFFAOYSA-N 2 2 331.445 1.538 20 0 EDADLP C[C@H]1C[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C)C1(F)F ZINC000628390224 451241383 /nfs/dbraw/zinc/24/13/83/451241383.db2.gz FLNRMRKSERWQLU-KBPBESRZSA-N 2 2 339.434 1.952 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)CC[NH+](C)C2CC2)cc1 ZINC000635813245 451262402 /nfs/dbraw/zinc/26/24/02/451262402.db2.gz UZYYADBXSCTPOD-SFHVURJKSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)CC[NH+](C)C2CC2)cc1 ZINC000635813245 451262406 /nfs/dbraw/zinc/26/24/06/451262406.db2.gz UZYYADBXSCTPOD-SFHVURJKSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000635813245 451262412 /nfs/dbraw/zinc/26/24/12/451262412.db2.gz UZYYADBXSCTPOD-SFHVURJKSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000635813245 451262418 /nfs/dbraw/zinc/26/24/18/451262418.db2.gz UZYYADBXSCTPOD-SFHVURJKSA-N 2 2 331.460 1.822 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@]2(C)C[NH2+]CCO2)c1)[NH+]1CCOCC1 ZINC000638100707 451267879 /nfs/dbraw/zinc/26/78/79/451267879.db2.gz MQGBAUFMIIMVEE-KDOFPFPSSA-N 2 2 333.432 1.397 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000638102494 451269027 /nfs/dbraw/zinc/26/90/27/451269027.db2.gz UVUQERIEHNEOCB-NBOOPKSLSA-N 2 2 349.475 1.144 20 0 EDADLP Cc1cc2[nH+]cn(Cc3cn(C[C@@H]4C[NH2+]CCO4)nn3)c2cc1C ZINC000630617924 451277871 /nfs/dbraw/zinc/27/78/71/451277871.db2.gz ZGEWIBKGKGHVRD-HNNXBMFYSA-N 2 2 326.404 1.281 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)c1c(F)cccc1F ZINC000638119256 451287799 /nfs/dbraw/zinc/28/77/99/451287799.db2.gz MVKCICWUDSYYAN-CZUORRHYSA-N 2 2 327.375 1.062 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)n1cc[nH+]c1 ZINC000634508247 451372318 /nfs/dbraw/zinc/37/23/18/451372318.db2.gz QBUNZPMERGTAPB-OAHLLOKOSA-N 2 2 328.420 1.011 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000634508945 451373698 /nfs/dbraw/zinc/37/36/98/451373698.db2.gz RSBPFLKKPLCBMF-UHFFFAOYSA-N 2 2 345.491 1.284 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000638177556 451338976 /nfs/dbraw/zinc/33/89/76/451338976.db2.gz BYQUUKOSHGNDRS-CRAIPNDOSA-N 2 2 349.500 1.783 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000638177556 451338982 /nfs/dbraw/zinc/33/89/82/451338982.db2.gz BYQUUKOSHGNDRS-CRAIPNDOSA-N 2 2 349.500 1.783 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000638177556 451338986 /nfs/dbraw/zinc/33/89/86/451338986.db2.gz BYQUUKOSHGNDRS-CRAIPNDOSA-N 2 2 349.500 1.783 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000638177556 451338991 /nfs/dbraw/zinc/33/89/91/451338991.db2.gz BYQUUKOSHGNDRS-CRAIPNDOSA-N 2 2 349.500 1.783 20 0 EDADLP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000638181687 451343721 /nfs/dbraw/zinc/34/37/21/451343721.db2.gz IRFJMCSXIQDMBX-PKOBYXMFSA-N 2 2 334.460 1.600 20 0 EDADLP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000638181687 451343725 /nfs/dbraw/zinc/34/37/25/451343725.db2.gz IRFJMCSXIQDMBX-PKOBYXMFSA-N 2 2 334.460 1.600 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635950650 451390927 /nfs/dbraw/zinc/39/09/27/451390927.db2.gz OYAKRLGAQQIUKS-ARFHVFGLSA-N 2 2 326.400 1.719 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635950650 451390934 /nfs/dbraw/zinc/39/09/34/451390934.db2.gz OYAKRLGAQQIUKS-ARFHVFGLSA-N 2 2 326.400 1.719 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635950650 451390939 /nfs/dbraw/zinc/39/09/39/451390939.db2.gz OYAKRLGAQQIUKS-ARFHVFGLSA-N 2 2 326.400 1.719 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000632552970 451393809 /nfs/dbraw/zinc/39/38/09/451393809.db2.gz UJMLBSJSRYMVAD-UHFFFAOYSA-N 2 2 349.460 1.020 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000638290385 451406903 /nfs/dbraw/zinc/40/69/03/451406903.db2.gz RMKDDFWSBZIINY-YOEHRIQHSA-N 2 2 326.400 1.485 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000635972681 451407671 /nfs/dbraw/zinc/40/76/71/451407671.db2.gz POGKIPZZKZAWSI-ICSRJNTNSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000635972681 451407675 /nfs/dbraw/zinc/40/76/75/451407675.db2.gz POGKIPZZKZAWSI-ICSRJNTNSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000635972681 451407683 /nfs/dbraw/zinc/40/76/83/451407683.db2.gz POGKIPZZKZAWSI-ICSRJNTNSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000635972681 451407688 /nfs/dbraw/zinc/40/76/88/451407688.db2.gz POGKIPZZKZAWSI-ICSRJNTNSA-N 2 2 343.471 1.824 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc[nH+]1 ZINC000640603890 451449566 /nfs/dbraw/zinc/44/95/66/451449566.db2.gz HDRWLVSHIGXIHF-MRXNPFEDSA-N 2 2 347.463 1.866 20 0 EDADLP C[C@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638363901 451461150 /nfs/dbraw/zinc/46/11/50/451461150.db2.gz SIEVAVSGSVXXLK-HUUCEWRRSA-N 2 2 345.553 1.947 20 0 EDADLP C[C@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000638363901 451461158 /nfs/dbraw/zinc/46/11/58/451461158.db2.gz SIEVAVSGSVXXLK-HUUCEWRRSA-N 2 2 345.553 1.947 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccn1 ZINC000640613595 451461449 /nfs/dbraw/zinc/46/14/49/451461449.db2.gz ZTEFODJZVBJQRL-QGZVFWFLSA-N 2 2 347.463 1.472 20 0 EDADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634704289 451480402 /nfs/dbraw/zinc/48/04/02/451480402.db2.gz JGFNOSOAYZJCCE-CRAIPNDOSA-N 2 2 328.497 1.377 20 0 EDADLP O[C@]1(C[NH2+]CCCCn2cc[nH+]c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704653 451480679 /nfs/dbraw/zinc/48/06/79/451480679.db2.gz NKRNQHJGHNOUAQ-IBGZPJMESA-N 3 2 328.460 1.890 20 0 EDADLP O[C@]1(C[NH2+]CCCCn2cc[nH+]c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704653 451480682 /nfs/dbraw/zinc/48/06/82/451480682.db2.gz NKRNQHJGHNOUAQ-IBGZPJMESA-N 3 2 328.460 1.890 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630934576 451492498 /nfs/dbraw/zinc/49/24/98/451492498.db2.gz YPRLGHORJUKKCN-SFHVURJKSA-N 2 2 342.443 1.642 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630934576 451492501 /nfs/dbraw/zinc/49/25/01/451492501.db2.gz YPRLGHORJUKKCN-SFHVURJKSA-N 2 2 342.443 1.642 20 0 EDADLP COCC1(C2CC2)C[NH+](C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000634652389 451446340 /nfs/dbraw/zinc/44/63/40/451446340.db2.gz PJLNBOQAJYYDKW-IBGZPJMESA-N 2 2 330.472 1.764 20 0 EDADLP COCC1(C2CC2)C[NH+](C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000634652389 451446343 /nfs/dbraw/zinc/44/63/43/451446343.db2.gz PJLNBOQAJYYDKW-IBGZPJMESA-N 2 2 330.472 1.764 20 0 EDADLP CC(C)C[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)n1cc[nH+]c1 ZINC000636082942 451500134 /nfs/dbraw/zinc/50/01/34/451500134.db2.gz VSMAPXWHSDLRJT-HUUCEWRRSA-N 2 2 335.452 1.049 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC[C@@]4(CC[NH2+]C4)C3)nc[nH+]2)CC1 ZINC000634809121 451565266 /nfs/dbraw/zinc/56/52/66/451565266.db2.gz KSWFBXXOJXFEMZ-SFHVURJKSA-N 2 2 331.464 1.408 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC[C@@]4(CC[NH2+]C4)C3)[nH+]cn2)CC1 ZINC000634809121 451565269 /nfs/dbraw/zinc/56/52/69/451565269.db2.gz KSWFBXXOJXFEMZ-SFHVURJKSA-N 2 2 331.464 1.408 20 0 EDADLP [NH3+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CCOCC1 ZINC000638540598 451568910 /nfs/dbraw/zinc/56/89/10/451568910.db2.gz PNFOMJXJFLRUIC-MRXNPFEDSA-N 2 2 349.500 1.401 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC000631109850 451589839 /nfs/dbraw/zinc/58/98/39/451589839.db2.gz HUMUISCIOBSRAJ-UHFFFAOYSA-N 2 2 348.472 1.847 20 0 EDADLP CC(C)(CO)CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631147593 451608421 /nfs/dbraw/zinc/60/84/21/451608421.db2.gz HBXLANPSINBZAH-UHFFFAOYSA-N 2 2 336.476 1.896 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000638618352 451611206 /nfs/dbraw/zinc/61/12/06/451611206.db2.gz GAJSWLVVOLCLKZ-DLBZAZTESA-N 2 2 335.423 1.285 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000638618352 451611212 /nfs/dbraw/zinc/61/12/12/451611212.db2.gz GAJSWLVVOLCLKZ-DLBZAZTESA-N 2 2 335.423 1.285 20 0 EDADLP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629171722 451578507 /nfs/dbraw/zinc/57/85/07/451578507.db2.gz BVYUHGLFQDKJAS-OAHLLOKOSA-N 2 2 344.459 1.562 20 0 EDADLP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629171722 451578512 /nfs/dbraw/zinc/57/85/12/451578512.db2.gz BVYUHGLFQDKJAS-OAHLLOKOSA-N 2 2 344.459 1.562 20 0 EDADLP Fc1ccc2oc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)nc2c1 ZINC000634962521 451625747 /nfs/dbraw/zinc/62/57/47/451625747.db2.gz VNHYGPNHGXLQKI-OAHLLOKOSA-N 2 2 348.422 1.463 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1nccn1C ZINC000631177232 451626305 /nfs/dbraw/zinc/62/63/05/451626305.db2.gz MTXWSBZZMSAPII-MRXNPFEDSA-N 2 2 344.459 1.982 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000632895855 451637309 /nfs/dbraw/zinc/63/73/09/451637309.db2.gz XKIYUUYTGGSDKM-KBPBESRZSA-N 2 2 345.447 1.028 20 0 EDADLP c1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(N2CCSCC2)n1 ZINC000635010070 451648039 /nfs/dbraw/zinc/64/80/39/451648039.db2.gz QKAJTYLBHWDZOR-SJLPKXTDSA-N 2 2 348.516 1.491 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636295719 451665917 /nfs/dbraw/zinc/66/59/17/451665917.db2.gz VWGVSEIYSOMUHJ-INIZCTEOSA-N 2 2 332.492 1.935 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCc2ccncc2)CC1)[NH+]1CCSCC1 ZINC000636295861 451665927 /nfs/dbraw/zinc/66/59/27/451665927.db2.gz TVNMPSJMAMNIJE-MRXNPFEDSA-N 2 2 348.516 1.206 20 0 EDADLP Cc1nc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000631244735 451659583 /nfs/dbraw/zinc/65/95/83/451659583.db2.gz CYQKOCDDBCEWME-AWEZNQCLSA-N 2 2 330.461 1.214 20 0 EDADLP Cc1nc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000631244735 451659585 /nfs/dbraw/zinc/65/95/85/451659585.db2.gz CYQKOCDDBCEWME-AWEZNQCLSA-N 2 2 330.461 1.214 20 0 EDADLP CCn1ncc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000631247021 451660981 /nfs/dbraw/zinc/66/09/81/451660981.db2.gz OACYXVQNFAGNJZ-MRXNPFEDSA-N 2 2 333.480 1.452 20 0 EDADLP CCn1ncc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000631247021 451660985 /nfs/dbraw/zinc/66/09/85/451660985.db2.gz OACYXVQNFAGNJZ-MRXNPFEDSA-N 2 2 333.480 1.452 20 0 EDADLP COC[C@H](C)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCc2ccccc21 ZINC000638778144 451687846 /nfs/dbraw/zinc/68/78/46/451687846.db2.gz ZNMXUSOWYXXSCE-QGTPRVQTSA-N 2 2 333.476 1.816 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000638811217 451699292 /nfs/dbraw/zinc/69/92/92/451699292.db2.gz LRCUOBGURNMXQT-ZNMIVQPWSA-N 2 2 327.375 1.190 20 0 EDADLP Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nc(N)[nH+]1 ZINC000631372226 451715826 /nfs/dbraw/zinc/71/58/26/451715826.db2.gz KNFOOTGDNPSVRI-INIZCTEOSA-N 2 2 338.459 1.898 20 0 EDADLP Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nc(N)[nH+]1 ZINC000631372226 451715830 /nfs/dbraw/zinc/71/58/30/451715830.db2.gz KNFOOTGDNPSVRI-INIZCTEOSA-N 2 2 338.459 1.898 20 0 EDADLP Cc1nc(N)nc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH+]1 ZINC000631372226 451715835 /nfs/dbraw/zinc/71/58/35/451715835.db2.gz KNFOOTGDNPSVRI-INIZCTEOSA-N 2 2 338.459 1.898 20 0 EDADLP Cc1nc(N)nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH+]1 ZINC000631372226 451715838 /nfs/dbraw/zinc/71/58/38/451715838.db2.gz KNFOOTGDNPSVRI-INIZCTEOSA-N 2 2 338.459 1.898 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)c1cccc(F)c1 ZINC000636472612 451725668 /nfs/dbraw/zinc/72/56/68/451725668.db2.gz HFAZVSYEKHCPTK-JKSUJKDBSA-N 2 2 338.427 1.058 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)c1cccc(F)c1 ZINC000636472612 451725669 /nfs/dbraw/zinc/72/56/69/451725669.db2.gz HFAZVSYEKHCPTK-JKSUJKDBSA-N 2 2 338.427 1.058 20 0 EDADLP COc1cccc([C@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[NH+](C)C)c1 ZINC000636473115 451726093 /nfs/dbraw/zinc/72/60/93/451726093.db2.gz RPFDLDFGGCMBDT-PBHICJAKSA-N 2 2 343.431 1.419 20 0 EDADLP CC(C)Oc1cc[nH+]c(Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)c1 ZINC000641197669 451776649 /nfs/dbraw/zinc/77/66/49/451776649.db2.gz CPQQHGOXLRLCCX-MRXNPFEDSA-N 2 2 331.420 1.465 20 0 EDADLP CC(C)Oc1cc[nH+]c(Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)c1 ZINC000641197669 451776652 /nfs/dbraw/zinc/77/66/52/451776652.db2.gz CPQQHGOXLRLCCX-MRXNPFEDSA-N 2 2 331.420 1.465 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984745 451745760 /nfs/dbraw/zinc/74/57/60/451745760.db2.gz PZJHEUSMVSXWBB-KRWDZBQOSA-N 3 2 325.416 1.438 20 0 EDADLP CC(C)c1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n(C)n1 ZINC000638985716 451746908 /nfs/dbraw/zinc/74/69/08/451746908.db2.gz FBOZVKDNJSCFBY-UHFFFAOYSA-N 2 2 328.420 1.600 20 0 EDADLP [NH3+]Cc1nc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cs1 ZINC000638989878 451748733 /nfs/dbraw/zinc/74/87/33/451748733.db2.gz FQJGADQDBXPJGU-UHFFFAOYSA-N 2 2 349.485 1.480 20 0 EDADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641111373 451752866 /nfs/dbraw/zinc/75/28/66/451752866.db2.gz BIOWCFUFWCQYAS-UHFFFAOYSA-N 2 2 328.464 1.901 20 0 EDADLP COC1CC[NH+](Cc2cn(CCCCn3cc[nH+]c3C)nn2)CC1 ZINC000641150230 451763219 /nfs/dbraw/zinc/76/32/19/451763219.db2.gz AKHIEUVPJOAHLW-UHFFFAOYSA-N 2 2 332.452 1.874 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000639094868 451767519 /nfs/dbraw/zinc/76/75/19/451767519.db2.gz UQJNDEYUVTUBLI-UHFFFAOYSA-N 2 2 346.518 1.477 20 0 EDADLP CCN(CCOC)c1cccc(Cn2cc([C@@](C)([NH3+])CC)nn2)[nH+]1 ZINC000641169315 451768331 /nfs/dbraw/zinc/76/83/31/451768331.db2.gz JDQUJLTWYUOYSM-KRWDZBQOSA-N 2 2 332.452 1.778 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1c[nH+]c(N)nc1N ZINC000639169492 451783536 /nfs/dbraw/zinc/78/35/36/451783536.db2.gz DQAMKLNLASNPBE-MRXNPFEDSA-N 2 2 341.463 1.183 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1c[nH+]c(N)nc1N ZINC000639169492 451783538 /nfs/dbraw/zinc/78/35/38/451783538.db2.gz DQAMKLNLASNPBE-MRXNPFEDSA-N 2 2 341.463 1.183 20 0 EDADLP CC[C@@H]([NH3+])c1cn(C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641213882 451783786 /nfs/dbraw/zinc/78/37/86/451783786.db2.gz NVESZZBSKHYQMG-ZIAGYGMSSA-N 2 2 328.420 1.716 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000639178103 451786888 /nfs/dbraw/zinc/78/68/88/451786888.db2.gz IKKDULXPNGCWHF-CZUORRHYSA-N 2 2 341.452 1.389 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000639178103 451786889 /nfs/dbraw/zinc/78/68/89/451786889.db2.gz IKKDULXPNGCWHF-CZUORRHYSA-N 2 2 341.452 1.389 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000639178103 451786890 /nfs/dbraw/zinc/78/68/90/451786890.db2.gz IKKDULXPNGCWHF-CZUORRHYSA-N 2 2 341.452 1.389 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000639178103 451786891 /nfs/dbraw/zinc/78/68/91/451786891.db2.gz IKKDULXPNGCWHF-CZUORRHYSA-N 2 2 341.452 1.389 20 0 EDADLP O=C(NCC[NH2+]C1CC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000637317814 451788381 /nfs/dbraw/zinc/78/83/81/451788381.db2.gz RGMHWGOUJCAVIL-UHFFFAOYSA-N 2 2 331.464 1.860 20 0 EDADLP c1c(C[NH+]2CCN(c3ccccc3)CC2)nnn1CC1CC[NH2+]CC1 ZINC000641232684 451792107 /nfs/dbraw/zinc/79/21/07/451792107.db2.gz JAKATYCCSSFUHT-UHFFFAOYSA-N 2 2 340.475 1.600 20 0 EDADLP CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639224247 451795049 /nfs/dbraw/zinc/79/50/49/451795049.db2.gz XTVMAXWEJIAYIN-QUCCMNQESA-N 2 2 348.487 1.990 20 0 EDADLP CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639224247 451795051 /nfs/dbraw/zinc/79/50/51/451795051.db2.gz XTVMAXWEJIAYIN-QUCCMNQESA-N 2 2 348.487 1.990 20 0 EDADLP Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)o1 ZINC000639264965 451800857 /nfs/dbraw/zinc/80/08/57/451800857.db2.gz CDVYKGUTVQHLFA-UHFFFAOYSA-N 2 2 342.443 1.970 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641279727 451804596 /nfs/dbraw/zinc/80/45/96/451804596.db2.gz SPGMSGIANCZVNN-ZDUSSCGKSA-N 2 2 334.445 1.238 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641279727 451804604 /nfs/dbraw/zinc/80/46/04/451804604.db2.gz SPGMSGIANCZVNN-ZDUSSCGKSA-N 2 2 334.445 1.238 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)CCn2cc[nH+]c2)o1 ZINC000641289445 451813218 /nfs/dbraw/zinc/81/32/18/451813218.db2.gz ZXODLYHYUZNMIT-UHFFFAOYSA-N 2 2 340.449 1.178 20 0 EDADLP CO[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000639302987 451816936 /nfs/dbraw/zinc/81/69/36/451816936.db2.gz QAYCHIWWHZSPJV-ROUUACIJSA-N 2 2 326.481 1.615 20 0 EDADLP CO[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000639302987 451816941 /nfs/dbraw/zinc/81/69/41/451816941.db2.gz QAYCHIWWHZSPJV-ROUUACIJSA-N 2 2 326.481 1.615 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562187 451863391 /nfs/dbraw/zinc/86/33/91/451863391.db2.gz ALEATWVSCPSVJW-IBGZPJMESA-N 3 2 348.535 1.095 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562187 451863396 /nfs/dbraw/zinc/86/33/96/451863396.db2.gz ALEATWVSCPSVJW-IBGZPJMESA-N 3 2 348.535 1.095 20 0 EDADLP Cc1ccc(O[C@H](C)C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000644577598 451871627 /nfs/dbraw/zinc/87/16/27/451871627.db2.gz ZZWQFRMBXKDDSZ-BDXSIMOUSA-N 2 2 336.476 1.822 20 0 EDADLP Cc1ccc(O[C@H](C)C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000644577598 451871637 /nfs/dbraw/zinc/87/16/37/451871637.db2.gz ZZWQFRMBXKDDSZ-BDXSIMOUSA-N 2 2 336.476 1.822 20 0 EDADLP COc1ncc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c2ccccc21 ZINC000639449740 451873066 /nfs/dbraw/zinc/87/30/66/451873066.db2.gz AMONCYGDYUJPMO-UHFFFAOYSA-N 2 2 342.443 1.449 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000644632258 451907210 /nfs/dbraw/zinc/90/72/10/451907210.db2.gz HTSUYNSPAFDDHC-QUCCMNQESA-N 3 2 349.519 1.570 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000644632258 451907215 /nfs/dbraw/zinc/90/72/15/451907215.db2.gz HTSUYNSPAFDDHC-QUCCMNQESA-N 3 2 349.519 1.570 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CCCO1 ZINC000644632258 451907220 /nfs/dbraw/zinc/90/72/20/451907220.db2.gz HTSUYNSPAFDDHC-QUCCMNQESA-N 3 2 349.519 1.570 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CCCO1 ZINC000644632258 451907222 /nfs/dbraw/zinc/90/72/22/451907222.db2.gz HTSUYNSPAFDDHC-QUCCMNQESA-N 3 2 349.519 1.570 20 0 EDADLP CC[NH+](CC)[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)CC(C)C ZINC000641390401 451926528 /nfs/dbraw/zinc/92/65/28/451926528.db2.gz BQBRZJSZUIXKLQ-HNNXBMFYSA-N 2 2 330.498 1.559 20 0 EDADLP CC[N@@H+]1CCN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[C@H]1C ZINC000641391738 451927370 /nfs/dbraw/zinc/92/73/70/451927370.db2.gz BOADEHKHCSMTRP-CQSZACIVSA-N 2 2 337.489 1.389 20 0 EDADLP CC[N@H+]1CCN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[C@H]1C ZINC000641391738 451927375 /nfs/dbraw/zinc/92/73/75/451927375.db2.gz BOADEHKHCSMTRP-CQSZACIVSA-N 2 2 337.489 1.389 20 0 EDADLP CC[NH+]1CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[C@H]1C ZINC000641391738 451927383 /nfs/dbraw/zinc/92/73/83/451927383.db2.gz BOADEHKHCSMTRP-CQSZACIVSA-N 2 2 337.489 1.389 20 0 EDADLP CC[NH+]1CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[C@H]1C ZINC000641391738 451927388 /nfs/dbraw/zinc/92/73/88/451927388.db2.gz BOADEHKHCSMTRP-CQSZACIVSA-N 2 2 337.489 1.389 20 0 EDADLP C[N@@H+]1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000649274603 451946237 /nfs/dbraw/zinc/94/62/37/451946237.db2.gz RXEYBKQHCVYLSV-CYBMUJFWSA-N 2 2 330.354 1.219 20 0 EDADLP C[N@H+]1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000649274603 451946243 /nfs/dbraw/zinc/94/62/43/451946243.db2.gz RXEYBKQHCVYLSV-CYBMUJFWSA-N 2 2 330.354 1.219 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)c1 ZINC000649299437 451977202 /nfs/dbraw/zinc/97/72/02/451977202.db2.gz VNDGOBFNZCBGSZ-HNNXBMFYSA-N 2 2 341.415 1.365 20 0 EDADLP C[N@@H+]1CC[C@](N)(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000649302058 451978830 /nfs/dbraw/zinc/97/88/30/451978830.db2.gz QHBZIGWHGCTGDH-LJQANCHMSA-N 2 2 339.443 1.858 20 0 EDADLP C[N@H+]1CC[C@](N)(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000649302058 451978833 /nfs/dbraw/zinc/97/88/33/451978833.db2.gz QHBZIGWHGCTGDH-LJQANCHMSA-N 2 2 339.443 1.858 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000649306451 451983627 /nfs/dbraw/zinc/98/36/27/451983627.db2.gz ROAOZTQAFZNINS-ZDUSSCGKSA-N 2 2 325.416 1.232 20 0 EDADLP O=C(NCCNc1ccc2ccccc2[nH+]1)[C@H]1C[NH2+]CCC1(F)F ZINC000649306840 451984189 /nfs/dbraw/zinc/98/41/89/451984189.db2.gz SRAXJDGWUWRYMO-CYBMUJFWSA-N 2 2 334.370 1.430 20 0 EDADLP C[NH+](CCC[N@@H+](C)C[C@H](O)CC1(O)CCOCC1)Cc1ccco1 ZINC000639643910 451995434 /nfs/dbraw/zinc/99/54/34/451995434.db2.gz JFTZCHYYGJKPSI-MRXNPFEDSA-N 2 2 340.464 1.326 20 0 EDADLP C[NH+](CCC[N@H+](C)C[C@H](O)CC1(O)CCOCC1)Cc1ccco1 ZINC000639643910 451995435 /nfs/dbraw/zinc/99/54/35/451995435.db2.gz JFTZCHYYGJKPSI-MRXNPFEDSA-N 2 2 340.464 1.326 20 0 EDADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H](O)CC1(O)CCOCC1 ZINC000639643910 451995440 /nfs/dbraw/zinc/99/54/40/451995440.db2.gz JFTZCHYYGJKPSI-MRXNPFEDSA-N 2 2 340.464 1.326 20 0 EDADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H](O)CC1(O)CCOCC1 ZINC000639643910 451995443 /nfs/dbraw/zinc/99/54/43/451995443.db2.gz JFTZCHYYGJKPSI-MRXNPFEDSA-N 2 2 340.464 1.326 20 0 EDADLP COC[C@]1(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CCC[NH2+]1 ZINC000649320079 451997339 /nfs/dbraw/zinc/99/73/39/451997339.db2.gz NSLBCKJFMHGYCE-ZDUSSCGKSA-N 2 2 334.342 1.172 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000653596028 452033093 /nfs/dbraw/zinc/03/30/93/452033093.db2.gz AFDAUHJGJAJVDX-KRWDZBQOSA-N 2 2 332.444 1.860 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000653596028 452033101 /nfs/dbraw/zinc/03/31/01/452033101.db2.gz AFDAUHJGJAJVDX-KRWDZBQOSA-N 2 2 332.444 1.860 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000653596028 452033107 /nfs/dbraw/zinc/03/31/07/452033107.db2.gz AFDAUHJGJAJVDX-KRWDZBQOSA-N 2 2 332.444 1.860 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000653596028 452033114 /nfs/dbraw/zinc/03/31/14/452033114.db2.gz AFDAUHJGJAJVDX-KRWDZBQOSA-N 2 2 332.444 1.860 20 0 EDADLP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000639702203 452038067 /nfs/dbraw/zinc/03/80/67/452038067.db2.gz DWKQBCZJTPLXNV-MRXNPFEDSA-N 2 2 343.431 1.571 20 0 EDADLP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000639702203 452038073 /nfs/dbraw/zinc/03/80/73/452038073.db2.gz DWKQBCZJTPLXNV-MRXNPFEDSA-N 2 2 343.431 1.571 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C12CCCC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000649372559 452047161 /nfs/dbraw/zinc/04/71/61/452047161.db2.gz CFQUGLDGXRZYHI-SFHVURJKSA-N 2 2 343.471 1.923 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2cccc3c2CCC3)CN1CC[NH+]1CCOCC1 ZINC000651752657 452055335 /nfs/dbraw/zinc/05/53/35/452055335.db2.gz OKJHUGWKPLOUMG-SFHVURJKSA-N 2 2 343.471 1.198 20 0 EDADLP Cc1cccc(NC(=O)CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1C ZINC000649411125 452073649 /nfs/dbraw/zinc/07/36/49/452073649.db2.gz UJXULAZPIYIWCW-KRWDZBQOSA-N 2 2 330.476 1.469 20 0 EDADLP Cn1cc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cs2)cn1 ZINC000649418516 452081708 /nfs/dbraw/zinc/08/17/08/452081708.db2.gz NULFQBMWJPWICA-CQSZACIVSA-N 2 2 347.488 1.731 20 0 EDADLP Cn1cc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cs2)cn1 ZINC000649418516 452081713 /nfs/dbraw/zinc/08/17/13/452081713.db2.gz NULFQBMWJPWICA-CQSZACIVSA-N 2 2 347.488 1.731 20 0 EDADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639760506 452099872 /nfs/dbraw/zinc/09/98/72/452099872.db2.gz BEJUGNXNJGDYCQ-HXUWFJFHSA-N 2 2 347.503 1.961 20 0 EDADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639760506 452099880 /nfs/dbraw/zinc/09/98/80/452099880.db2.gz BEJUGNXNJGDYCQ-HXUWFJFHSA-N 2 2 347.503 1.961 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCn2c3ccccc3[nH]c2=O)C1 ZINC000639761873 452100402 /nfs/dbraw/zinc/10/04/02/452100402.db2.gz OSUHYLLMUQGSKU-GOSISDBHSA-N 2 2 332.448 1.521 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCn2c3ccccc3[nH]c2=O)C1 ZINC000639761873 452100405 /nfs/dbraw/zinc/10/04/05/452100405.db2.gz OSUHYLLMUQGSKU-GOSISDBHSA-N 2 2 332.448 1.521 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763366 452104011 /nfs/dbraw/zinc/10/40/11/452104011.db2.gz CONBQYXWXJXLNY-QAPCUYQASA-N 2 2 325.497 1.555 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763366 452104016 /nfs/dbraw/zinc/10/40/16/452104016.db2.gz CONBQYXWXJXLNY-QAPCUYQASA-N 2 2 325.497 1.555 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000639765109 452104967 /nfs/dbraw/zinc/10/49/67/452104967.db2.gz ZYLQFRBTWBFHCG-FQEVSTJZSA-N 3 2 347.503 1.407 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000639765109 452104976 /nfs/dbraw/zinc/10/49/76/452104976.db2.gz ZYLQFRBTWBFHCG-FQEVSTJZSA-N 3 2 347.503 1.407 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637833339 452106829 /nfs/dbraw/zinc/10/68/29/452106829.db2.gz RZEGMGHBCXCMEE-ZWKOTPCHSA-N 2 2 326.444 1.262 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000639766433 452108343 /nfs/dbraw/zinc/10/83/43/452108343.db2.gz OFIDJNWGGCRKHQ-LJQANCHMSA-N 2 2 328.460 1.820 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000639766433 452108347 /nfs/dbraw/zinc/10/83/47/452108347.db2.gz OFIDJNWGGCRKHQ-LJQANCHMSA-N 2 2 328.460 1.820 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792524 452131754 /nfs/dbraw/zinc/13/17/54/452131754.db2.gz RNIWOVABOPENGC-WBVHZDCISA-N 2 2 326.444 1.874 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792524 452131757 /nfs/dbraw/zinc/13/17/57/452131757.db2.gz RNIWOVABOPENGC-WBVHZDCISA-N 2 2 326.444 1.874 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792524 452131761 /nfs/dbraw/zinc/13/17/61/452131761.db2.gz RNIWOVABOPENGC-WBVHZDCISA-N 2 2 326.444 1.874 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792524 452131764 /nfs/dbraw/zinc/13/17/64/452131764.db2.gz RNIWOVABOPENGC-WBVHZDCISA-N 2 2 326.444 1.874 20 0 EDADLP CC(C)(CN1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000637880388 452133219 /nfs/dbraw/zinc/13/32/19/452133219.db2.gz KYUPPXDEEODXHB-UHFFFAOYSA-N 2 2 331.504 1.958 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645112560 452158137 /nfs/dbraw/zinc/15/81/37/452158137.db2.gz NKXCYOCGHDVASL-HUUCEWRRSA-N 2 2 329.435 1.954 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](CC)CO1 ZINC000651912891 452162411 /nfs/dbraw/zinc/16/24/11/452162411.db2.gz HNTWZRGFUQFQGB-DLBZAZTESA-N 2 2 333.480 1.618 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](CC)CO1 ZINC000651912891 452162418 /nfs/dbraw/zinc/16/24/18/452162418.db2.gz HNTWZRGFUQFQGB-DLBZAZTESA-N 2 2 333.480 1.618 20 0 EDADLP OCc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000647322897 452178192 /nfs/dbraw/zinc/17/81/92/452178192.db2.gz TXLYIPDUHBNILP-UHFFFAOYSA-N 2 2 333.476 1.065 20 0 EDADLP OCc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000647322897 452178197 /nfs/dbraw/zinc/17/81/97/452178197.db2.gz TXLYIPDUHBNILP-UHFFFAOYSA-N 2 2 333.476 1.065 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000649731402 452216557 /nfs/dbraw/zinc/21/65/57/452216557.db2.gz HEPDIGRTNIHOOE-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000649731402 452216563 /nfs/dbraw/zinc/21/65/63/452216563.db2.gz HEPDIGRTNIHOOE-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000645222148 452219381 /nfs/dbraw/zinc/21/93/81/452219381.db2.gz SMXNBOZTYJGJDP-KRWDZBQOSA-N 2 2 331.460 1.790 20 0 EDADLP C[NH+]1CCN(c2ncccc2CNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665695149 452251795 /nfs/dbraw/zinc/25/17/95/452251795.db2.gz MZUXWYFARWIKQL-UHFFFAOYSA-N 2 2 341.419 1.040 20 0 EDADLP C[NH+]1CCN(c2ncccc2CNc2[nH+]cnc3c2OCCN3)CC1 ZINC000665695149 452251807 /nfs/dbraw/zinc/25/18/07/452251807.db2.gz MZUXWYFARWIKQL-UHFFFAOYSA-N 2 2 341.419 1.040 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)nn1C ZINC000641786158 452256411 /nfs/dbraw/zinc/25/64/11/452256411.db2.gz OUEQDDVAIBAIAR-IAGOWNOFSA-N 2 2 335.496 1.176 20 0 EDADLP CC[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000641785959 452258140 /nfs/dbraw/zinc/25/81/40/452258140.db2.gz MWSKVJLGEHWYEQ-FGTMMUONSA-N 2 2 325.497 1.330 20 0 EDADLP OCc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000641787563 452263201 /nfs/dbraw/zinc/26/32/01/452263201.db2.gz VILUVDHBPFIWSG-IBGZPJMESA-N 2 2 333.476 1.065 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cnn(C)c1 ZINC000641787878 452263414 /nfs/dbraw/zinc/26/34/14/452263414.db2.gz QWNLHKYXBCSNKH-MSOLQXFVSA-N 2 2 335.496 1.257 20 0 EDADLP c1c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)nc2ccccn12 ZINC000641789405 452266338 /nfs/dbraw/zinc/26/63/38/452266338.db2.gz FEDDRVLGCSDZNS-QGZVFWFLSA-N 2 2 343.475 1.221 20 0 EDADLP COC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000641788633 452267286 /nfs/dbraw/zinc/26/72/86/452267286.db2.gz ZMCOGKNWAVDHHE-OALUTQOASA-N 2 2 339.524 1.578 20 0 EDADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641788665 452267347 /nfs/dbraw/zinc/26/73/47/452267347.db2.gz UEVVMLUXSBNQPB-IBGZPJMESA-N 3 2 338.540 1.245 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](OC)C3CCOCC3)CC2)c1 ZINC000638024575 452270206 /nfs/dbraw/zinc/27/02/06/452270206.db2.gz FNCPRKWJKMZNNZ-QGZVFWFLSA-N 2 2 335.448 1.654 20 0 EDADLP C[N@@H+]1CCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)[C@H](C[NH3+])C1 ZINC000647539551 452271076 /nfs/dbraw/zinc/27/10/76/452271076.db2.gz OVVVKXAGNKRSTM-CYBMUJFWSA-N 2 2 338.818 1.135 20 0 EDADLP C[N@H+]1CCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)[C@H](C[NH3+])C1 ZINC000647539551 452271084 /nfs/dbraw/zinc/27/10/84/452271084.db2.gz OVVVKXAGNKRSTM-CYBMUJFWSA-N 2 2 338.818 1.135 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000641801486 452278088 /nfs/dbraw/zinc/27/80/88/452278088.db2.gz RCWUDUZAKSOMGB-HUUCEWRRSA-N 2 2 349.456 1.961 20 0 EDADLP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000639987114 452318712 /nfs/dbraw/zinc/31/87/12/452318712.db2.gz WRPBWUQZSJRVHX-UHFFFAOYSA-N 3 2 336.524 1.491 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCc1cn3ccccc3[nH+]1)C2 ZINC000652123616 452320263 /nfs/dbraw/zinc/32/02/63/452320263.db2.gz VIDXYISBZADRKL-KSSFIOAISA-N 2 2 327.432 1.647 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000638050027 452320654 /nfs/dbraw/zinc/32/06/54/452320654.db2.gz RIOSFGVUTFJQLK-DOTOQJQBSA-N 2 2 349.475 1.146 20 0 EDADLP O=C(CCC1C[NH2+]C1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000638054739 452336375 /nfs/dbraw/zinc/33/63/75/452336375.db2.gz HSXANKJVQBNLJM-UHFFFAOYSA-N 2 2 344.459 1.205 20 0 EDADLP CO[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@](C)(CO)C1 ZINC000640004433 452337838 /nfs/dbraw/zinc/33/78/38/452337838.db2.gz MFFLWMMLLOSAEC-MOPGFXCFSA-N 2 2 334.460 1.491 20 0 EDADLP CO[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@](C)(CO)C1 ZINC000640004433 452337847 /nfs/dbraw/zinc/33/78/47/452337847.db2.gz MFFLWMMLLOSAEC-MOPGFXCFSA-N 2 2 334.460 1.491 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000643612623 452338877 /nfs/dbraw/zinc/33/88/77/452338877.db2.gz NZNAWUHGYPEJSC-RYQLBKOJSA-N 2 2 331.460 1.169 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000643612623 452338886 /nfs/dbraw/zinc/33/88/86/452338886.db2.gz NZNAWUHGYPEJSC-RYQLBKOJSA-N 2 2 331.460 1.169 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1F)[C@@H](C)[NH+]1CCOCC1 ZINC000652147072 452340525 /nfs/dbraw/zinc/34/05/25/452340525.db2.gz GWPWYYDHBLASLN-CHWSQXEVSA-N 2 2 338.427 1.193 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000659513724 452377447 /nfs/dbraw/zinc/37/74/47/452377447.db2.gz ZSFXHJMABQUFRR-CABCVRRESA-N 2 2 331.464 1.869 20 0 EDADLP CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657606287 452385254 /nfs/dbraw/zinc/38/52/54/452385254.db2.gz SLYVYRJCCAEQJT-HOTGVXAUSA-N 2 2 330.494 1.185 20 0 EDADLP C[C@@H](CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C[NH+]1CCOCC1 ZINC000663642513 452386415 /nfs/dbraw/zinc/38/64/15/452386415.db2.gz ANRAIMGHTLGRTA-HNNXBMFYSA-N 2 2 349.479 1.208 20 0 EDADLP C[C@@H](CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1)C[NH+]1CCOCC1 ZINC000663642513 452386425 /nfs/dbraw/zinc/38/64/25/452386425.db2.gz ANRAIMGHTLGRTA-HNNXBMFYSA-N 2 2 349.479 1.208 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCCOCC[NH+](C)C)cn21 ZINC000645464955 452434568 /nfs/dbraw/zinc/43/45/68/452434568.db2.gz DQMOUWILKQOPEC-UHFFFAOYSA-N 2 2 333.436 1.063 20 0 EDADLP C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000663730723 452465343 /nfs/dbraw/zinc/46/53/43/452465343.db2.gz ZSWPEHSHPLYXEU-PWSUYJOCSA-N 2 2 333.440 1.295 20 0 EDADLP C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000663730723 452465350 /nfs/dbraw/zinc/46/53/50/452465350.db2.gz ZSWPEHSHPLYXEU-PWSUYJOCSA-N 2 2 333.440 1.295 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652313259 452488170 /nfs/dbraw/zinc/48/81/70/452488170.db2.gz OMIBHTLZBDDFOM-MRXNPFEDSA-N 2 2 345.491 1.860 20 0 EDADLP C[C@H](Cc1cccc(O)c1)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663781869 452511629 /nfs/dbraw/zinc/51/16/29/452511629.db2.gz DIIBBIYJUFRJLT-OAHLLOKOSA-N 2 2 336.480 1.506 20 0 EDADLP C[C@H](Cc1cccc(O)c1)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663781869 452511634 /nfs/dbraw/zinc/51/16/34/452511634.db2.gz DIIBBIYJUFRJLT-OAHLLOKOSA-N 2 2 336.480 1.506 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCc2ncn(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000647800593 452532462 /nfs/dbraw/zinc/53/24/62/452532462.db2.gz GMTMNDCHMNLKNH-FUHWJXTLSA-N 2 2 329.448 1.839 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N(CC)Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000652357847 452536444 /nfs/dbraw/zinc/53/64/44/452536444.db2.gz HIOCTKNCZHJINJ-NVXWUHKLSA-N 2 2 337.439 1.470 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N(CC)Cc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000652357847 452536453 /nfs/dbraw/zinc/53/64/53/452536453.db2.gz HIOCTKNCZHJINJ-NVXWUHKLSA-N 2 2 337.439 1.470 20 0 EDADLP CCC[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1 ZINC000652358021 452537398 /nfs/dbraw/zinc/53/73/98/452537398.db2.gz YUMTYPJKTLDPFN-FGTMMUONSA-N 2 2 333.476 1.940 20 0 EDADLP CCC[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1 ZINC000652358021 452537406 /nfs/dbraw/zinc/53/74/06/452537406.db2.gz YUMTYPJKTLDPFN-FGTMMUONSA-N 2 2 333.476 1.940 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc2c(c1)OCCO2 ZINC000647814536 452543656 /nfs/dbraw/zinc/54/36/56/452543656.db2.gz SKBCHCWXQVHUHF-UHFFFAOYSA-N 2 2 331.416 1.613 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc2c(c1)OCCO2 ZINC000647814536 452543666 /nfs/dbraw/zinc/54/36/66/452543666.db2.gz SKBCHCWXQVHUHF-UHFFFAOYSA-N 2 2 331.416 1.613 20 0 EDADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655774695 452572031 /nfs/dbraw/zinc/57/20/31/452572031.db2.gz DXEAWEMPFBKPGC-RDJZCZTQSA-N 2 2 346.475 1.950 20 0 EDADLP COc1cc(OC)cc(C(=O)N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647874803 452614789 /nfs/dbraw/zinc/61/47/89/452614789.db2.gz ZYDIBNLCUNPIMY-CQSZACIVSA-N 2 2 333.432 1.071 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000645644825 452647608 /nfs/dbraw/zinc/64/76/08/452647608.db2.gz OSZIPOCVMUBCKL-NJAFHUGGSA-N 2 2 331.460 1.483 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)CO1 ZINC000666213399 452690322 /nfs/dbraw/zinc/69/03/22/452690322.db2.gz DQLAICLAFQYHHS-ZIAGYGMSSA-N 2 2 344.419 1.498 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)CO1 ZINC000666213399 452690327 /nfs/dbraw/zinc/69/03/27/452690327.db2.gz DQLAICLAFQYHHS-ZIAGYGMSSA-N 2 2 344.419 1.498 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647965616 452710094 /nfs/dbraw/zinc/71/00/94/452710094.db2.gz CLSBRCZMUQHWLU-QGZVFWFLSA-N 3 2 327.513 1.264 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647965616 452710099 /nfs/dbraw/zinc/71/00/99/452710099.db2.gz CLSBRCZMUQHWLU-QGZVFWFLSA-N 3 2 327.513 1.264 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000666241178 452712509 /nfs/dbraw/zinc/71/25/09/452712509.db2.gz VQVANHFRLCLCFA-UHFFFAOYSA-N 2 2 330.392 1.234 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000666241178 452712516 /nfs/dbraw/zinc/71/25/16/452712516.db2.gz VQVANHFRLCLCFA-UHFFFAOYSA-N 2 2 330.392 1.234 20 0 EDADLP Cc1cc(C)cc(OCC(=O)N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000647990924 452733838 /nfs/dbraw/zinc/73/38/38/452733838.db2.gz VLPRVSUBCSYRSQ-KRWDZBQOSA-N 2 2 331.460 1.436 20 0 EDADLP CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H](C)[NH3+] ZINC000645737290 452736640 /nfs/dbraw/zinc/73/66/40/452736640.db2.gz XNNVTWCCPOYWJV-CRAIPNDOSA-N 2 2 332.492 1.992 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661983526 452737291 /nfs/dbraw/zinc/73/72/91/452737291.db2.gz VXUHMBKAOATQEC-INIZCTEOSA-N 2 2 335.452 1.168 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)[nH+]1 ZINC000658127237 452741016 /nfs/dbraw/zinc/74/10/16/452741016.db2.gz LGAZFBMFDDVPNV-AWEZNQCLSA-N 2 2 332.448 1.934 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(C)[nH+]1 ZINC000658127237 452741021 /nfs/dbraw/zinc/74/10/21/452741021.db2.gz LGAZFBMFDDVPNV-AWEZNQCLSA-N 2 2 332.448 1.934 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649526 452742180 /nfs/dbraw/zinc/74/21/80/452742180.db2.gz HELMHCSIEVCVJP-WCVJEAGWSA-N 2 2 349.479 1.796 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649526 452742189 /nfs/dbraw/zinc/74/21/89/452742189.db2.gz HELMHCSIEVCVJP-WCVJEAGWSA-N 2 2 349.479 1.796 20 0 EDADLP COc1ncncc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000648012450 452750322 /nfs/dbraw/zinc/75/03/22/452750322.db2.gz FMDYLIAEZZUXBR-UHFFFAOYSA-N 2 2 333.480 1.476 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000662016081 452771224 /nfs/dbraw/zinc/77/12/24/452771224.db2.gz FOZMGRKRHYUTSO-MJGOQNOKSA-N 2 2 344.503 1.750 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000662016081 452771234 /nfs/dbraw/zinc/77/12/34/452771234.db2.gz FOZMGRKRHYUTSO-MJGOQNOKSA-N 2 2 344.503 1.750 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000645838384 452836153 /nfs/dbraw/zinc/83/61/53/452836153.db2.gz QFUIPFOATXGASO-QGZVFWFLSA-N 2 2 337.414 1.921 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000645838384 452836160 /nfs/dbraw/zinc/83/61/60/452836160.db2.gz QFUIPFOATXGASO-QGZVFWFLSA-N 2 2 337.414 1.921 20 0 EDADLP Cc1cnc(CC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)c1 ZINC000645838379 452836278 /nfs/dbraw/zinc/83/62/78/452836278.db2.gz QDWYIACCMSAOFT-GOSISDBHSA-N 2 2 330.476 1.655 20 0 EDADLP Cc1cnc(CC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)c1 ZINC000645838379 452836283 /nfs/dbraw/zinc/83/62/83/452836283.db2.gz QDWYIACCMSAOFT-GOSISDBHSA-N 2 2 330.476 1.655 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000654724333 452839024 /nfs/dbraw/zinc/83/90/24/452839024.db2.gz CEDOBGDAIXZCGX-SJORKVTESA-N 2 2 343.475 1.930 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000654724333 452839027 /nfs/dbraw/zinc/83/90/27/452839027.db2.gz CEDOBGDAIXZCGX-SJORKVTESA-N 2 2 343.475 1.930 20 0 EDADLP C[C@H](Cn1cncn1)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658343732 452855025 /nfs/dbraw/zinc/85/50/25/452855025.db2.gz SDGRKSBRRFKFBM-AEFFLSMTSA-N 2 2 328.464 1.072 20 0 EDADLP C[C@H](Cn1cncn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658343732 452855035 /nfs/dbraw/zinc/85/50/35/452855035.db2.gz SDGRKSBRRFKFBM-AEFFLSMTSA-N 2 2 328.464 1.072 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCOCC2)s1 ZINC000648152961 452866208 /nfs/dbraw/zinc/86/62/08/452866208.db2.gz SPQNIBCYTCDDKR-KNCOVGOOSA-N 2 2 335.473 1.011 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000648174494 452884821 /nfs/dbraw/zinc/88/48/21/452884821.db2.gz AACKIERCJBYQGG-YMAMQOFZSA-N 2 2 332.448 1.645 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2F)CC1 ZINC000662161666 452901819 /nfs/dbraw/zinc/90/18/19/452901819.db2.gz WLAVNBNNCSIJKW-INIZCTEOSA-N 2 2 341.402 1.188 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cn21 ZINC000645932059 452911315 /nfs/dbraw/zinc/91/13/15/452911315.db2.gz USKWSLWYPXBBJM-DOTOQJQBSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)CC2)c1 ZINC000660013718 452922958 /nfs/dbraw/zinc/92/29/58/452922958.db2.gz JFAMEEDRJLVPFE-GVDBMIGSSA-N 2 2 328.460 1.959 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000660039797 452949697 /nfs/dbraw/zinc/94/96/97/452949697.db2.gz PLCWPLOIKIGGGN-HUUCEWRRSA-N 2 2 336.480 1.518 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)CC1 ZINC000645977527 452963185 /nfs/dbraw/zinc/96/31/85/452963185.db2.gz FMKUEVUGMFROGI-CGTJXYLNSA-N 3 2 336.524 1.569 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)CC1 ZINC000645977527 452963195 /nfs/dbraw/zinc/96/31/95/452963195.db2.gz FMKUEVUGMFROGI-CGTJXYLNSA-N 3 2 336.524 1.569 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000650754281 452973461 /nfs/dbraw/zinc/97/34/61/452973461.db2.gz FLDUYNOGZAQQOJ-QZTJIDSGSA-N 2 2 347.528 1.809 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@H]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000650754281 452973472 /nfs/dbraw/zinc/97/34/72/452973472.db2.gz FLDUYNOGZAQQOJ-QZTJIDSGSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000650754281 452973478 /nfs/dbraw/zinc/97/34/78/452973478.db2.gz FLDUYNOGZAQQOJ-QZTJIDSGSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000650754281 452973486 /nfs/dbraw/zinc/97/34/86/452973486.db2.gz FLDUYNOGZAQQOJ-QZTJIDSGSA-N 2 2 347.528 1.809 20 0 EDADLP Cc1ccc(CNC(=O)C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)cc1F ZINC000662250282 452974787 /nfs/dbraw/zinc/97/47/87/452974787.db2.gz DBKMMTJXUPOGGT-KRWDZBQOSA-N 2 2 349.450 1.451 20 0 EDADLP Cc1ccc(CNC(=O)C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662254670 452983347 /nfs/dbraw/zinc/98/33/47/452983347.db2.gz SJYGAJORSOCINE-SFHVURJKSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c[nH+]1 ZINC000656253991 452992753 /nfs/dbraw/zinc/99/27/53/452992753.db2.gz VLAPDKKYHYQMGN-GOSISDBHSA-N 2 2 345.491 1.620 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c[nH+]1 ZINC000656253991 452992758 /nfs/dbraw/zinc/99/27/58/452992758.db2.gz VLAPDKKYHYQMGN-GOSISDBHSA-N 2 2 345.491 1.620 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c[nH+]1 ZINC000656254005 452992874 /nfs/dbraw/zinc/99/28/74/452992874.db2.gz ZCBPSKIRKNYOJP-DLBZAZTESA-N 2 2 332.448 1.439 20 0 EDADLP Cn1cnnc1N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000656272875 453001618 /nfs/dbraw/zinc/00/16/18/453001618.db2.gz IBLRUJSAUAMOMB-UHFFFAOYSA-N 2 2 329.433 1.385 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656278168 453004662 /nfs/dbraw/zinc/00/46/62/453004662.db2.gz PPLFDAGYWGSHKX-DLBZAZTESA-N 2 2 327.428 1.889 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656278168 453004670 /nfs/dbraw/zinc/00/46/70/453004670.db2.gz PPLFDAGYWGSHKX-DLBZAZTESA-N 2 2 327.428 1.889 20 0 EDADLP CN(C(=O)NC[C@]1(C)CC1(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000666603967 453005088 /nfs/dbraw/zinc/00/50/88/453005088.db2.gz CSIAHLRSVOGFMM-ZBFHGGJFSA-N 2 2 344.450 1.842 20 0 EDADLP CN(C(=O)NC[C@]1(C)CC1(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000666603967 453005093 /nfs/dbraw/zinc/00/50/93/453005093.db2.gz CSIAHLRSVOGFMM-ZBFHGGJFSA-N 2 2 344.450 1.842 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000664331018 453006477 /nfs/dbraw/zinc/00/64/77/453006477.db2.gz NHTBDTOMXHZGLD-UHFFFAOYSA-N 3 2 335.496 1.753 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000664331018 453006484 /nfs/dbraw/zinc/00/64/84/453006484.db2.gz NHTBDTOMXHZGLD-UHFFFAOYSA-N 3 2 335.496 1.753 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320197 453038639 /nfs/dbraw/zinc/03/86/39/453038639.db2.gz RYEVOKSREZMPDO-MHORFTMASA-N 2 2 339.524 1.922 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320197 453038643 /nfs/dbraw/zinc/03/86/43/453038643.db2.gz RYEVOKSREZMPDO-MHORFTMASA-N 2 2 339.524 1.922 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000644151241 453082640 /nfs/dbraw/zinc/08/26/40/453082640.db2.gz HEPWZJJJHRMSOH-QGZVFWFLSA-N 2 2 347.459 1.216 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000648437263 453087411 /nfs/dbraw/zinc/08/74/11/453087411.db2.gz JOXRHXYBCKLAEJ-UHFFFAOYSA-N 2 2 333.432 1.102 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)c2)CC1 ZINC000644154061 453087857 /nfs/dbraw/zinc/08/78/57/453087857.db2.gz WPZJKUOGNSTMIS-KRWDZBQOSA-N 2 2 344.459 1.287 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000662385940 453094347 /nfs/dbraw/zinc/09/43/47/453094347.db2.gz LQLZJWVKGZMFMQ-WMZOPIPTSA-N 2 2 348.491 1.066 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000662457390 453164963 /nfs/dbraw/zinc/16/49/63/453164963.db2.gz HZWPVOLGITWUJM-QFBILLFUSA-N 3 2 342.487 1.506 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000662457390 453164970 /nfs/dbraw/zinc/16/49/70/453164970.db2.gz HZWPVOLGITWUJM-QFBILLFUSA-N 3 2 342.487 1.506 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000650994897 453171888 /nfs/dbraw/zinc/17/18/88/453171888.db2.gz VTYLNLNDLCTHDM-UHFFFAOYSA-N 3 2 339.528 1.140 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651029030 453203821 /nfs/dbraw/zinc/20/38/21/453203821.db2.gz GUWBVQAESMKDBH-MRXNPFEDSA-N 2 2 334.464 1.235 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651029030 453203826 /nfs/dbraw/zinc/20/38/26/453203826.db2.gz GUWBVQAESMKDBH-MRXNPFEDSA-N 2 2 334.464 1.235 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000653075605 453255212 /nfs/dbraw/zinc/25/52/12/453255212.db2.gz UHOQUYHLLIYIHU-QGZVFWFLSA-N 2 2 346.475 1.920 20 0 EDADLP CCCS(=O)(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653079753 453261095 /nfs/dbraw/zinc/26/10/95/453261095.db2.gz MCRYMBSGNMZFOU-CQSZACIVSA-N 2 2 342.465 1.056 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000653081686 453262484 /nfs/dbraw/zinc/26/24/84/453262484.db2.gz XDWFDZRQKYNIAA-QGZVFWFLSA-N 2 2 325.497 1.853 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCc1ccc[nH+]c1N1CCCC1 ZINC000656541042 453264089 /nfs/dbraw/zinc/26/40/89/453264089.db2.gz VIEJEGOATFVOSM-UHFFFAOYSA-N 2 2 328.420 1.768 20 0 EDADLP COc1ccc(Br)cc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653082880 453265047 /nfs/dbraw/zinc/26/50/47/453265047.db2.gz HTFZXDYTYCBJSX-GFCCVEGCSA-N 2 2 344.253 1.353 20 0 EDADLP COc1ccc(C(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653086837 453268397 /nfs/dbraw/zinc/26/83/97/453268397.db2.gz CRIRDUWPMIMLRM-AWEZNQCLSA-N 2 2 337.464 1.377 20 0 EDADLP O=C(COc1ccccc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)NCC1CC1 ZINC000666946701 453270430 /nfs/dbraw/zinc/27/04/30/453270430.db2.gz MJWXDVJPFOQDAB-HOTGVXAUSA-N 2 2 335.423 1.381 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000653106234 453288685 /nfs/dbraw/zinc/28/86/85/453288685.db2.gz YAMXFRFLNVEYBI-HUUCEWRRSA-N 3 2 326.872 1.338 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000648806097 453291072 /nfs/dbraw/zinc/29/10/72/453291072.db2.gz WVGBMAFOYVGPJE-INIZCTEOSA-N 2 2 336.480 1.966 20 0 EDADLP [NH3+]C1CCC(OCC(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000662622347 453340568 /nfs/dbraw/zinc/34/05/68/453340568.db2.gz BJFVLXLXMNAIRK-UHFFFAOYSA-N 2 2 332.448 1.585 20 0 EDADLP COc1ccc(C[C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653156194 453347208 /nfs/dbraw/zinc/34/72/08/453347208.db2.gz UMEGYIZNYVAWFY-UKRRQHHQSA-N 2 2 337.464 1.278 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@@H](C)CO1 ZINC000662629660 453347348 /nfs/dbraw/zinc/34/73/48/453347348.db2.gz AWZCIJBPZGZMIF-HDMKZQKVSA-N 2 2 345.487 1.904 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@@H](C)CO1 ZINC000662629660 453347354 /nfs/dbraw/zinc/34/73/54/453347354.db2.gz AWZCIJBPZGZMIF-HDMKZQKVSA-N 2 2 345.487 1.904 20 0 EDADLP CN(Cc1ccc(F)cc1Br)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653160450 453352325 /nfs/dbraw/zinc/35/23/25/453352325.db2.gz JHNQOCHRHCVKDQ-CYBMUJFWSA-N 2 2 346.244 1.826 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCN(CC(F)(F)F)CC1 ZINC000653159467 453352768 /nfs/dbraw/zinc/35/27/68/453352768.db2.gz CUJYHZWDRXCTII-WCQYABFASA-N 2 2 338.418 1.044 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000656702300 453379302 /nfs/dbraw/zinc/37/93/02/453379302.db2.gz OHIKBUIPHASTFR-KGLIPLIRSA-N 2 2 336.432 1.617 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000656702300 453379306 /nfs/dbraw/zinc/37/93/06/453379306.db2.gz OHIKBUIPHASTFR-KGLIPLIRSA-N 2 2 336.432 1.617 20 0 EDADLP C[NH+](C)C1(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000667086529 453396613 /nfs/dbraw/zinc/39/66/13/453396613.db2.gz MLFIWKSEPDZEHW-UHFFFAOYSA-N 2 2 330.432 1.107 20 0 EDADLP Cc1cccc2c1O[C@H](C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000648926413 453403193 /nfs/dbraw/zinc/40/31/93/453403193.db2.gz RCCFETJQTIKBPG-AEFFLSMTSA-N 2 2 343.471 1.583 20 0 EDADLP Cc1cccc2c1O[C@H](C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000648926413 453403199 /nfs/dbraw/zinc/40/31/99/453403199.db2.gz RCCFETJQTIKBPG-AEFFLSMTSA-N 2 2 343.471 1.583 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934519 453412655 /nfs/dbraw/zinc/41/26/55/453412655.db2.gz SIZWHDMWVHSJDE-RDJZCZTQSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934519 453412664 /nfs/dbraw/zinc/41/26/64/453412664.db2.gz SIZWHDMWVHSJDE-RDJZCZTQSA-N 2 2 346.475 1.476 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660584825 453423858 /nfs/dbraw/zinc/42/38/58/453423858.db2.gz MRHPNFFWRZHZFA-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H]1CC[NH3+] ZINC000653243134 453427144 /nfs/dbraw/zinc/42/71/44/453427144.db2.gz YUZTZELRRMXVIO-NVXWUHKLSA-N 2 2 347.507 1.608 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662713347 453438237 /nfs/dbraw/zinc/43/82/37/453438237.db2.gz YXDAOIOITHLNAD-SWLSCSKDSA-N 2 2 327.375 1.192 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662713347 453438238 /nfs/dbraw/zinc/43/82/38/453438238.db2.gz YXDAOIOITHLNAD-SWLSCSKDSA-N 2 2 327.375 1.192 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H](C)O1 ZINC000667180360 453455508 /nfs/dbraw/zinc/45/55/08/453455508.db2.gz NKIQTZOCHSZJPC-NQNKBUKLSA-N 2 2 346.475 1.624 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1COc2ccccc21 ZINC000664917212 453481094 /nfs/dbraw/zinc/48/10/94/453481094.db2.gz QWAOBRJBDXVKTH-HNNXBMFYSA-N 2 2 334.464 1.345 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1COc2ccccc21 ZINC000664917212 453481100 /nfs/dbraw/zinc/48/11/00/453481100.db2.gz QWAOBRJBDXVKTH-HNNXBMFYSA-N 2 2 334.464 1.345 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646583778 453488628 /nfs/dbraw/zinc/48/86/28/453488628.db2.gz GOTGWHFFUJHGQJ-SFHVURJKSA-N 2 2 331.460 1.314 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445354 453532116 /nfs/dbraw/zinc/53/21/16/453532116.db2.gz RWWXVLLORPSLCU-LPHOPBHVSA-N 2 2 329.444 1.847 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCOC(C)(C)C)C2)CC1 ZINC000660709804 453537209 /nfs/dbraw/zinc/53/72/09/453537209.db2.gz BGTONNMIKVPESM-HNNXBMFYSA-N 2 2 340.512 1.659 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCOC(C)(C)C)C2)CC1 ZINC000660709804 453537213 /nfs/dbraw/zinc/53/72/13/453537213.db2.gz BGTONNMIKVPESM-HNNXBMFYSA-N 2 2 340.512 1.659 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCOC3(C)C)C2)CC1 ZINC000660711797 453540251 /nfs/dbraw/zinc/54/02/51/453540251.db2.gz HBCHWNIRDIINGY-GJZGRUSLSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCOC3(C)C)C2)CC1 ZINC000660711797 453540257 /nfs/dbraw/zinc/54/02/57/453540257.db2.gz HBCHWNIRDIINGY-GJZGRUSLSA-N 2 2 338.496 1.269 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662820643 453551529 /nfs/dbraw/zinc/55/15/29/453551529.db2.gz VFUQNFFWJWIITR-OAHLLOKOSA-N 2 2 341.402 1.534 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660734855 453553458 /nfs/dbraw/zinc/55/34/58/453553458.db2.gz NBYQJQKEFPJBDP-INIZCTEOSA-N 2 2 349.479 1.592 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667328264 453560816 /nfs/dbraw/zinc/56/08/16/453560816.db2.gz IIBNRALFRUYZSB-MRXNPFEDSA-N 2 2 327.432 1.836 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000667328264 453560818 /nfs/dbraw/zinc/56/08/18/453560818.db2.gz IIBNRALFRUYZSB-MRXNPFEDSA-N 2 2 327.432 1.836 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+](C)C2CC2)[C@@H](C)CO1 ZINC000665080505 453568609 /nfs/dbraw/zinc/56/86/09/453568609.db2.gz YVQXTEKVBCSCDF-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+](C)C2CC2)[C@@H](C)CO1 ZINC000665080505 453568615 /nfs/dbraw/zinc/56/86/15/453568615.db2.gz YVQXTEKVBCSCDF-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCCC[N@H+](C)C2CC2)[C@@H](C)CO1 ZINC000665080505 453568621 /nfs/dbraw/zinc/56/86/21/453568621.db2.gz YVQXTEKVBCSCDF-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCCC[N@@H+](C)C2CC2)[C@@H](C)CO1 ZINC000665080505 453568627 /nfs/dbraw/zinc/56/86/27/453568627.db2.gz YVQXTEKVBCSCDF-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660823902 453588393 /nfs/dbraw/zinc/58/83/93/453588393.db2.gz IWDCTMBQKGZLEB-QGZVFWFLSA-N 2 2 348.516 1.609 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660823902 453588403 /nfs/dbraw/zinc/58/84/03/453588403.db2.gz IWDCTMBQKGZLEB-QGZVFWFLSA-N 2 2 348.516 1.609 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000660829852 453593342 /nfs/dbraw/zinc/59/33/42/453593342.db2.gz AURMEBVPCYIGOJ-SJORKVTESA-N 2 2 338.496 1.225 20 0 EDADLP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc21 ZINC000659358763 453727456 /nfs/dbraw/zinc/72/74/56/453727456.db2.gz UASPKAJPEGLEMF-MSOLQXFVSA-N 2 2 343.471 1.612 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NC1CCC(C)CC1 ZINC000663303038 453761903 /nfs/dbraw/zinc/76/19/03/453761903.db2.gz CDECTLUPXMLWFU-CSKOPFHVSA-N 2 2 337.508 1.913 20 0 EDADLP c1c2ccncc2sc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657362816 453774680 /nfs/dbraw/zinc/77/46/80/453774680.db2.gz IWBRMCRIYMPWCF-INIZCTEOSA-N 2 2 346.500 1.792 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CN1CCOc1ccccc1 ZINC000657375494 453777268 /nfs/dbraw/zinc/77/72/68/453777268.db2.gz GZGGURATSUEULD-OAHLLOKOSA-N 2 2 340.427 1.599 20 0 EDADLP CC[NH+]1CCN(CCNc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000663385705 453785587 /nfs/dbraw/zinc/78/55/87/453785587.db2.gz JZIUVHNJWKFVKD-UHFFFAOYSA-N 2 2 336.509 1.079 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)[N@H+](C)C1 ZINC000496915441 486671197 /nfs/dbraw/zinc/67/11/97/486671197.db2.gz QSBPYUVIJKCJLM-NJAFHUGGSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)[N@@H+](C)C1 ZINC000496915441 486671202 /nfs/dbraw/zinc/67/12/02/486671202.db2.gz QSBPYUVIJKCJLM-NJAFHUGGSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C1 ZINC000496915441 486671205 /nfs/dbraw/zinc/67/12/05/486671205.db2.gz QSBPYUVIJKCJLM-NJAFHUGGSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[NH+](C)C1 ZINC000496915441 486671208 /nfs/dbraw/zinc/67/12/08/486671208.db2.gz QSBPYUVIJKCJLM-NJAFHUGGSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000676111784 486670153 /nfs/dbraw/zinc/67/01/53/486670153.db2.gz VRLDUTAJXWWCFY-WBVHZDCISA-N 2 2 330.476 1.860 20 0 EDADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000676111784 486670156 /nfs/dbraw/zinc/67/01/56/486670156.db2.gz VRLDUTAJXWWCFY-WBVHZDCISA-N 2 2 330.476 1.860 20 0 EDADLP Cc1ccncc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000679939105 486677600 /nfs/dbraw/zinc/67/76/00/486677600.db2.gz CKJGXXSABIZCCQ-INIZCTEOSA-N 2 2 342.443 1.978 20 0 EDADLP O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000680011343 486695339 /nfs/dbraw/zinc/69/53/39/486695339.db2.gz QHZXLRKPACGTFH-MRXNPFEDSA-N 2 2 325.416 1.083 20 0 EDADLP O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000680011343 486695342 /nfs/dbraw/zinc/69/53/42/486695342.db2.gz QHZXLRKPACGTFH-MRXNPFEDSA-N 2 2 325.416 1.083 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000672454269 486712435 /nfs/dbraw/zinc/71/24/35/486712435.db2.gz XPPUTUKZXNDLBY-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000672454269 486712440 /nfs/dbraw/zinc/71/24/40/486712440.db2.gz XPPUTUKZXNDLBY-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)[nH+]c1 ZINC000676259610 486714386 /nfs/dbraw/zinc/71/43/86/486714386.db2.gz NSEJKJICIYSLSO-WBVHZDCISA-N 2 2 346.475 1.442 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)[nH+]c1 ZINC000676259610 486714390 /nfs/dbraw/zinc/71/43/90/486714390.db2.gz NSEJKJICIYSLSO-WBVHZDCISA-N 2 2 346.475 1.442 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340665 486741070 /nfs/dbraw/zinc/74/10/70/486741070.db2.gz CGVKNYWMARMOGH-GOSISDBHSA-N 2 2 340.427 1.478 20 0 EDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000671768916 486746267 /nfs/dbraw/zinc/74/62/67/486746267.db2.gz CTLHHOFGVAQLPR-MIGBEJBISA-N 3 2 336.524 1.390 20 0 EDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000671768916 486746273 /nfs/dbraw/zinc/74/62/73/486746273.db2.gz CTLHHOFGVAQLPR-MIGBEJBISA-N 3 2 336.524 1.390 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416882613 486788150 /nfs/dbraw/zinc/78/81/50/486788150.db2.gz AJWAGIHBBCBHMX-KURKYZTESA-N 2 2 346.475 1.629 20 0 EDADLP CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC[C@@H]1[NH3+] ZINC000667548621 486839075 /nfs/dbraw/zinc/83/90/75/486839075.db2.gz RATDUZSXWSCEEV-JSGCOSHPSA-N 2 2 343.431 1.406 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000677175263 486995621 /nfs/dbraw/zinc/99/56/21/486995621.db2.gz PRIGSWYJRXCKQP-INIZCTEOSA-N 2 2 331.460 1.685 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000677175263 486995626 /nfs/dbraw/zinc/99/56/26/486995626.db2.gz PRIGSWYJRXCKQP-INIZCTEOSA-N 2 2 331.460 1.685 20 0 EDADLP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000667965190 487037911 /nfs/dbraw/zinc/03/79/11/487037911.db2.gz ORTIGILWSNFFJJ-LJQANCHMSA-N 2 2 343.471 1.368 20 0 EDADLP O=C(CC[N@H+]1CCc2ccccc2C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000667965190 487037914 /nfs/dbraw/zinc/03/79/14/487037914.db2.gz ORTIGILWSNFFJJ-LJQANCHMSA-N 2 2 343.471 1.368 20 0 EDADLP Cc1cc(C)nc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)n1 ZINC000667967312 487038902 /nfs/dbraw/zinc/03/89/02/487038902.db2.gz JVDZGBCXXKCZIZ-UHFFFAOYSA-N 2 2 349.442 1.996 20 0 EDADLP O=S1(=O)CCC[C@@H](C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000673611678 487068394 /nfs/dbraw/zinc/06/83/94/487068394.db2.gz RGOCJRSQAWNGEF-LBPRGKRZSA-N 2 2 325.459 1.848 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000668077581 487091370 /nfs/dbraw/zinc/09/13/70/487091370.db2.gz RLIXZXHJGBFXBF-HNNXBMFYSA-N 2 2 342.443 1.771 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000668077581 487091373 /nfs/dbraw/zinc/09/13/73/487091373.db2.gz RLIXZXHJGBFXBF-HNNXBMFYSA-N 2 2 342.443 1.771 20 0 EDADLP Cc1cccn2cc(CCNC(=O)CCCC[NH+]3CCOCC3)[nH+]c12 ZINC000673747625 487106306 /nfs/dbraw/zinc/10/63/06/487106306.db2.gz ZVIULZPUKCNXJK-UHFFFAOYSA-N 2 2 344.459 1.804 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N(C)CC[NH+]3CCCC3)[nH+]c12 ZINC000673780599 487112728 /nfs/dbraw/zinc/11/27/28/487112728.db2.gz ZGGHZEAWYLBGBB-UHFFFAOYSA-N 2 2 329.448 1.922 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCO[C@H]3C3CC3)C2)CC1 ZINC000677653222 487142438 /nfs/dbraw/zinc/14/24/38/487142438.db2.gz BKOSFOQQEQITHX-UAGQMJEPSA-N 2 2 336.480 1.022 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCO[C@H]3C3CC3)C2)CC1 ZINC000677653222 487142446 /nfs/dbraw/zinc/14/24/46/487142446.db2.gz BKOSFOQQEQITHX-UAGQMJEPSA-N 2 2 336.480 1.022 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C(F)F)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000677729638 487160860 /nfs/dbraw/zinc/16/08/60/487160860.db2.gz ARCABLWNAYRSAH-CYBMUJFWSA-N 2 2 327.375 1.511 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000677729638 487160863 /nfs/dbraw/zinc/16/08/63/487160863.db2.gz ARCABLWNAYRSAH-CYBMUJFWSA-N 2 2 327.375 1.511 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672009029 487165681 /nfs/dbraw/zinc/16/56/81/487165681.db2.gz XDJGMZDKRYDMDT-AWEZNQCLSA-N 2 2 349.479 1.002 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684955579 487200211 /nfs/dbraw/zinc/20/02/11/487200211.db2.gz PARNJOIQNDVAMN-QGZVFWFLSA-N 2 2 330.476 1.991 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000674282769 487228075 /nfs/dbraw/zinc/22/80/75/487228075.db2.gz MOBAMGKXQBMJQD-CQSZACIVSA-N 2 2 329.404 1.520 20 0 EDADLP Cc1ccncc1[C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000678426752 487306829 /nfs/dbraw/zinc/30/68/29/487306829.db2.gz LEOVMKCCKIDJKS-KRWDZBQOSA-N 2 2 332.492 1.837 20 0 EDADLP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000678426752 487306833 /nfs/dbraw/zinc/30/68/33/487306833.db2.gz LEOVMKCCKIDJKS-KRWDZBQOSA-N 2 2 332.492 1.837 20 0 EDADLP C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000678592981 487339824 /nfs/dbraw/zinc/33/98/24/487339824.db2.gz JSSCJVRYCFBBBB-CYBMUJFWSA-N 2 2 330.436 1.799 20 0 EDADLP Cn1c[nH+]cc1CNc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000685920924 487345331 /nfs/dbraw/zinc/34/53/31/487345331.db2.gz KVWJBHDRROQNCM-UHFFFAOYSA-N 2 2 337.431 1.727 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682494186 487375771 /nfs/dbraw/zinc/37/57/71/487375771.db2.gz PVEVARXPOWEZDF-SJORKVTESA-N 2 2 345.491 1.074 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682494186 487375772 /nfs/dbraw/zinc/37/57/72/487375772.db2.gz PVEVARXPOWEZDF-SJORKVTESA-N 2 2 345.491 1.074 20 0 EDADLP O=S(=O)(C1C[NH+](CCCn2cc[nH+]c2)C1)N1CCc2ccccc21 ZINC000682674811 487404062 /nfs/dbraw/zinc/40/40/62/487404062.db2.gz MBCQGFNKORKONC-UHFFFAOYSA-N 2 2 346.456 1.350 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000679479113 487429965 /nfs/dbraw/zinc/42/99/65/487429965.db2.gz GFJHDVWLAOZKLX-UHFFFAOYSA-N 2 2 329.400 1.936 20 0 EDADLP COc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1SC ZINC000675782275 487443728 /nfs/dbraw/zinc/44/37/28/487443728.db2.gz PYAFUNBXZGWXQS-CYBMUJFWSA-N 2 2 337.489 1.842 20 0 EDADLP CC[C@@]1([NH2+]CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CCOC1 ZINC000683042005 487444934 /nfs/dbraw/zinc/44/49/34/487444934.db2.gz PRNLWGAXEWRIKP-HXUWFJFHSA-N 2 2 345.487 1.798 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000683084638 487448339 /nfs/dbraw/zinc/44/83/39/487448339.db2.gz JGTKCKBWUISKNX-HOTGVXAUSA-N 2 2 331.464 1.642 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000683084638 487448340 /nfs/dbraw/zinc/44/83/40/487448340.db2.gz JGTKCKBWUISKNX-HOTGVXAUSA-N 2 2 331.464 1.642 20 0 EDADLP COc1cc(C)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)n1 ZINC000679770394 487464323 /nfs/dbraw/zinc/46/43/23/487464323.db2.gz ODTMNSWTBUNZGD-KRWDZBQOSA-N 2 2 332.492 1.919 20 0 EDADLP COc1cc(C)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)n1 ZINC000679770394 487464325 /nfs/dbraw/zinc/46/43/25/487464325.db2.gz ODTMNSWTBUNZGD-KRWDZBQOSA-N 2 2 332.492 1.919 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669544310 485530460 /nfs/dbraw/zinc/53/04/60/485530460.db2.gz ZAMGIRFCIUUVNX-CUOATXAZSA-N 2 2 328.819 1.871 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669544310 485530466 /nfs/dbraw/zinc/53/04/66/485530466.db2.gz ZAMGIRFCIUUVNX-CUOATXAZSA-N 2 2 328.819 1.871 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669024395 485574381 /nfs/dbraw/zinc/57/43/81/485574381.db2.gz DTHWFZXDGVINHT-BXUZGUMPSA-N 2 2 333.823 1.881 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC000670810314 485590487 /nfs/dbraw/zinc/59/04/87/485590487.db2.gz FPZLFMVNKCDIPZ-MRXNPFEDSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC000670810314 485590496 /nfs/dbraw/zinc/59/04/96/485590496.db2.gz FPZLFMVNKCDIPZ-MRXNPFEDSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670987438 485612021 /nfs/dbraw/zinc/61/20/21/485612021.db2.gz UGNCRPUWAHMCCD-MOPGFXCFSA-N 2 2 348.487 1.921 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670987438 485612030 /nfs/dbraw/zinc/61/20/30/485612030.db2.gz UGNCRPUWAHMCCD-MOPGFXCFSA-N 2 2 348.487 1.921 20 0 EDADLP CCC[C@](C)(CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674760871 485889910 /nfs/dbraw/zinc/88/99/10/485889910.db2.gz OWRVQDMAWYTFTQ-WMLDXEAASA-N 2 2 326.485 1.005 20 0 EDADLP CCC[C@](C)(CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674760871 485889913 /nfs/dbraw/zinc/88/99/13/485889913.db2.gz OWRVQDMAWYTFTQ-WMLDXEAASA-N 2 2 326.485 1.005 20 0 EDADLP [NH3+]C1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000668610952 485946062 /nfs/dbraw/zinc/94/60/62/485946062.db2.gz YYVCRNXJLCARBD-ABHNRTSZSA-N 2 2 346.475 1.457 20 0 EDADLP [NH3+]C1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000668610952 485946068 /nfs/dbraw/zinc/94/60/68/485946068.db2.gz YYVCRNXJLCARBD-ABHNRTSZSA-N 2 2 346.475 1.457 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(C[NH3+])o3)cc2)CC1 ZINC000237201628 485958741 /nfs/dbraw/zinc/95/87/41/485958741.db2.gz JBEMPRMUQADQPV-UHFFFAOYSA-N 2 2 342.399 1.378 20 0 EDADLP [NH3+]C1(CC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCC1 ZINC000237906899 486016795 /nfs/dbraw/zinc/01/67/95/486016795.db2.gz NRBDZMLJTCPTQN-UHFFFAOYSA-N 2 2 327.432 1.250 20 0 EDADLP CC[C@@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000669388004 486023299 /nfs/dbraw/zinc/02/32/99/486023299.db2.gz QWXODVLXVVAHPP-GDBMZVCRSA-N 2 2 331.464 1.819 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115549274 486029020 /nfs/dbraw/zinc/02/90/20/486029020.db2.gz PWCHDRHPBGJAPQ-INIZCTEOSA-N 2 2 325.497 1.412 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115549274 486029025 /nfs/dbraw/zinc/02/90/25/486029025.db2.gz PWCHDRHPBGJAPQ-INIZCTEOSA-N 2 2 325.497 1.412 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC/C=C\C[NH3+])[NH+]2CCOCC2)cc1 ZINC000669399194 486061600 /nfs/dbraw/zinc/06/16/00/486061600.db2.gz JALPPAWIJVEBSV-BAHPRDJBSA-N 2 2 332.448 1.182 20 0 EDADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000669413122 486117405 /nfs/dbraw/zinc/11/74/05/486117405.db2.gz XULWPLHZLHWPMI-BLLLJJGKSA-N 2 2 347.394 1.269 20 0 EDADLP C[C@@H](C(=O)NC1CC([NH+](C)C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000670402816 486446553 /nfs/dbraw/zinc/44/65/53/486446553.db2.gz PKGVOLMLECHSPI-NXVRBGIVSA-N 2 2 348.466 1.545 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)Nc3cc[nH+]cc3N(C)C)CC2)c1 ZINC000670078283 486603041 /nfs/dbraw/zinc/60/30/41/486603041.db2.gz LSEOZRGFWUHVML-UHFFFAOYSA-N 2 2 340.431 1.627 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000670079300 486605036 /nfs/dbraw/zinc/60/50/36/486605036.db2.gz IEUMUBSAUUZIEL-WBVHZDCISA-N 2 2 347.463 1.069 20 0 EDADLP Cc1nc(N2CC[C@H]3OCC[NH2+][C@H]3C2)c(Br)c(C)[nH+]1 ZINC000404111429 486637207 /nfs/dbraw/zinc/63/72/07/486637207.db2.gz AUGVZEHNJBSDAV-WDEREUQCSA-N 2 2 327.226 1.423 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000126863433 491015836 /nfs/dbraw/zinc/01/58/36/491015836.db2.gz NSDHQFKNUMNGOD-NJAFHUGGSA-N 2 2 333.476 1.905 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000126863433 491015837 /nfs/dbraw/zinc/01/58/37/491015837.db2.gz NSDHQFKNUMNGOD-NJAFHUGGSA-N 2 2 333.476 1.905 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423376190 500954981 /nfs/dbraw/zinc/95/49/81/500954981.db2.gz KVKOGNVROWVECB-GZBFAFLISA-N 2 2 325.478 1.742 20 0 EDADLP C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000187486093 533845729 /nfs/dbraw/zinc/84/57/29/533845729.db2.gz BKMIIOOFODCBJF-HNNXBMFYSA-N 2 2 349.479 1.370 20 0 EDADLP C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000187486093 533845736 /nfs/dbraw/zinc/84/57/36/533845736.db2.gz BKMIIOOFODCBJF-HNNXBMFYSA-N 2 2 349.479 1.370 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000132028647 534080482 /nfs/dbraw/zinc/08/04/82/534080482.db2.gz AHKGOEZCSQKDTN-SFHVURJKSA-N 2 2 333.476 1.926 20 0 EDADLP C[NH+](C)CCOCCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000471635236 517902498 /nfs/dbraw/zinc/90/24/98/517902498.db2.gz NKTUJNJTTGGKGC-UHFFFAOYSA-N 2 2 331.420 1.250 20 0 EDADLP O=C(C[NH2+]C1(CO)CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000175997114 534585136 /nfs/dbraw/zinc/58/51/36/534585136.db2.gz HGWUXRDZGRAHOL-UHFFFAOYSA-N 2 2 347.459 1.352 20 0 EDADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000181046345 534755966 /nfs/dbraw/zinc/75/59/66/534755966.db2.gz XMJCEHQQYUNGKH-MSOLQXFVSA-N 2 2 345.487 1.887 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000129891616 527802202 /nfs/dbraw/zinc/80/22/02/527802202.db2.gz KESOKGULHXMWMK-GDBMZVCRSA-N 2 2 339.505 1.757 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000129891616 527802211 /nfs/dbraw/zinc/80/22/11/527802211.db2.gz KESOKGULHXMWMK-GDBMZVCRSA-N 2 2 339.505 1.757 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000159211201 528740746 /nfs/dbraw/zinc/74/07/46/528740746.db2.gz OEEXOMISAIHLHN-XHSDSOJGSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000159211201 528740749 /nfs/dbraw/zinc/74/07/49/528740749.db2.gz OEEXOMISAIHLHN-XHSDSOJGSA-N 2 2 326.485 1.077 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000347299159 534934576 /nfs/dbraw/zinc/93/45/76/534934576.db2.gz INRSCQBGPHVUCO-IEBWSBKVSA-N 2 2 347.503 1.800 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000347299159 534934579 /nfs/dbraw/zinc/93/45/79/534934579.db2.gz INRSCQBGPHVUCO-IEBWSBKVSA-N 2 2 347.503 1.800 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000245472924 534982566 /nfs/dbraw/zinc/98/25/66/534982566.db2.gz PMUZFHDQKSOCBN-KZNAEPCWSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC(OCCO)CC3)sc2C1 ZINC000346156710 535251956 /nfs/dbraw/zinc/25/19/56/535251956.db2.gz AZKRWLRIURIVDU-UHFFFAOYSA-N 2 2 339.505 1.883 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC(OCCO)CC3)sc2C1 ZINC000346156710 535251959 /nfs/dbraw/zinc/25/19/59/535251959.db2.gz AZKRWLRIURIVDU-UHFFFAOYSA-N 2 2 339.505 1.883 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261790858 535406207 /nfs/dbraw/zinc/40/62/07/535406207.db2.gz NPPMXUOAUOAUBV-KUHUBIRLSA-N 2 2 349.475 1.942 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261790858 535406211 /nfs/dbraw/zinc/40/62/11/535406211.db2.gz NPPMXUOAUOAUBV-KUHUBIRLSA-N 2 2 349.475 1.942 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2nnnn2C2CC2)[C@@H](C)C1 ZINC000248839829 535525804 /nfs/dbraw/zinc/52/58/04/535525804.db2.gz LAHMDJKFGFQSBD-LZWOXQAQSA-N 2 2 336.484 1.796 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2nnnn2C2CC2)[C@@H](C)C1 ZINC000248839829 535525810 /nfs/dbraw/zinc/52/58/10/535525810.db2.gz LAHMDJKFGFQSBD-LZWOXQAQSA-N 2 2 336.484 1.796 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cccc(O)c3)CC2)CC1 ZINC000332507975 535639368 /nfs/dbraw/zinc/63/93/68/535639368.db2.gz IRSHACGEQOIWFH-INIZCTEOSA-N 2 2 346.475 1.067 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261692782 535774559 /nfs/dbraw/zinc/77/45/59/535774559.db2.gz KSPLZBKAYQRFGF-BEFAXECRSA-N 2 2 347.459 1.346 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261692782 535774565 /nfs/dbraw/zinc/77/45/65/535774565.db2.gz KSPLZBKAYQRFGF-BEFAXECRSA-N 2 2 347.459 1.346 20 0 EDADLP C[NH+](C)CCCOc1ccc(CNC(=O)CCn2cc[nH+]c2)cc1 ZINC000264278516 535839346 /nfs/dbraw/zinc/83/93/46/535839346.db2.gz HYXPUBIJMRBSJX-UHFFFAOYSA-N 2 2 330.432 1.920 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000194978395 535871088 /nfs/dbraw/zinc/87/10/88/535871088.db2.gz LHTKXUQXOKPZOM-KRWDZBQOSA-N 2 2 328.464 1.510 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)s1 ZINC000347862457 536055276 /nfs/dbraw/zinc/05/52/76/536055276.db2.gz KLQAHJUGSFQJBN-LLVKDONJSA-N 2 2 348.476 1.406 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)s1 ZINC000347862457 536055280 /nfs/dbraw/zinc/05/52/80/536055280.db2.gz KLQAHJUGSFQJBN-LLVKDONJSA-N 2 2 348.476 1.406 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCNC(=O)c2ccccc2F)s1 ZINC000352746583 536057516 /nfs/dbraw/zinc/05/75/16/536057516.db2.gz CFZXRKNHEAIGGR-UHFFFAOYSA-N 2 2 336.436 1.863 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000353256230 536136967 /nfs/dbraw/zinc/13/69/67/536136967.db2.gz OPCCUXBKFHKELI-ZIAGYGMSSA-N 2 2 330.440 1.147 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262080158 536159314 /nfs/dbraw/zinc/15/93/14/536159314.db2.gz QLIOANIWBNSRFR-HNNXBMFYSA-N 2 2 341.459 1.105 20 0 EDADLP C[NH+]1CCN(c2ncc(CN3CCCC[C@H]3c3[nH]cc[nH+]3)cn2)CC1 ZINC000092729434 536425485 /nfs/dbraw/zinc/42/54/85/536425485.db2.gz ZZTDNEHUKXIYDO-INIZCTEOSA-N 2 2 341.463 1.679 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000333559828 536456158 /nfs/dbraw/zinc/45/61/58/536456158.db2.gz LGADJEYYEHOHBP-UVABKVKNSA-N 2 2 336.386 1.227 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000333559828 536456160 /nfs/dbraw/zinc/45/61/60/536456160.db2.gz LGADJEYYEHOHBP-UVABKVKNSA-N 2 2 336.386 1.227 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC000726256554 578339348 /nfs/dbraw/zinc/33/93/48/578339348.db2.gz YMTHWXPXVAHPHO-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC000726256554 578339349 /nfs/dbraw/zinc/33/93/49/578339349.db2.gz YMTHWXPXVAHPHO-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000726262191 578340787 /nfs/dbraw/zinc/34/07/87/578340787.db2.gz XPYFGJBLBJCKBB-WBVHZDCISA-N 2 2 334.464 1.309 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000726262191 578340788 /nfs/dbraw/zinc/34/07/88/578340788.db2.gz XPYFGJBLBJCKBB-WBVHZDCISA-N 2 2 334.464 1.309 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)N1CC[NH+](Cc2ccncc2)CC1 ZINC000727068720 578513093 /nfs/dbraw/zinc/51/30/93/578513093.db2.gz HTMORETTZNZBNQ-UHFFFAOYSA-N 2 2 349.548 1.662 20 0 EDADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cnc(C(=O)OC)n1 ZINC000727428060 578528930 /nfs/dbraw/zinc/52/89/30/578528930.db2.gz MDIONISYNQOGAW-UHFFFAOYSA-N 2 2 331.420 1.606 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@H](O)c2ccccc2F)nc[nH+]1 ZINC000729920244 578599360 /nfs/dbraw/zinc/59/93/60/578599360.db2.gz LNEPYXSAGCSHRQ-CJNGLKHVSA-N 2 2 345.422 1.949 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000732888339 578734089 /nfs/dbraw/zinc/73/40/89/578734089.db2.gz UZDFUOKOJPMSNX-UHFFFAOYSA-N 2 2 345.472 1.720 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000735185478 578866477 /nfs/dbraw/zinc/86/64/77/578866477.db2.gz NIPFDQSONCGNSF-QZTJIDSGSA-N 2 2 346.475 1.141 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000735185478 578866478 /nfs/dbraw/zinc/86/64/78/578866478.db2.gz NIPFDQSONCGNSF-QZTJIDSGSA-N 2 2 346.475 1.141 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000761089360 580047759 /nfs/dbraw/zinc/04/77/59/580047759.db2.gz IILIECBWQWJAHW-AEFFLSMTSA-N 2 2 341.455 1.360 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000761089360 580047760 /nfs/dbraw/zinc/04/77/60/580047760.db2.gz IILIECBWQWJAHW-AEFFLSMTSA-N 2 2 341.455 1.360 20 0 EDADLP O=C(NCC[NH+]1CCCCC1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000746511796 579599095 /nfs/dbraw/zinc/59/90/95/579599095.db2.gz LNEKWXNFIOPBFS-UHFFFAOYSA-N 2 2 328.420 1.552 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)N[C@@H](CC(F)F)C3=O)CC2)CC1 ZINC000777628225 580446806 /nfs/dbraw/zinc/44/68/06/580446806.db2.gz JXXKGVVNAHYMQC-ZDUSSCGKSA-N 2 2 344.406 1.121 20 0 EDADLP OCCC[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000749465908 579727973 /nfs/dbraw/zinc/72/79/73/579727973.db2.gz IPYIGEYCPYQGRR-KRWDZBQOSA-N 2 2 326.868 1.981 20 0 EDADLP OCCC[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000749465908 579727974 /nfs/dbraw/zinc/72/79/74/579727974.db2.gz IPYIGEYCPYQGRR-KRWDZBQOSA-N 2 2 326.868 1.981 20 0 EDADLP C[NH+]1CCN(c2ccccc2NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000750837587 579783298 /nfs/dbraw/zinc/78/32/98/579783298.db2.gz RRQCYIOTLXEUEL-UHFFFAOYSA-N 2 2 332.448 1.099 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754109540 579896767 /nfs/dbraw/zinc/89/67/67/579896767.db2.gz HUJDLYJFAUQQRZ-UHFFFAOYSA-N 2 2 341.525 1.535 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754109540 579896768 /nfs/dbraw/zinc/89/67/68/579896768.db2.gz HUJDLYJFAUQQRZ-UHFFFAOYSA-N 2 2 341.525 1.535 20 0 EDADLP CC(C)C[C@H]1CCC(=O)N(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000755789453 579935106 /nfs/dbraw/zinc/93/51/06/579935106.db2.gz NGWIZBWBMAYKSZ-CABCVRRESA-N 2 2 332.448 1.978 20 0 EDADLP CC(C)C[C@H]1CCC(=O)N(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000755789453 579935107 /nfs/dbraw/zinc/93/51/07/579935107.db2.gz NGWIZBWBMAYKSZ-CABCVRRESA-N 2 2 332.448 1.978 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000757872663 579972471 /nfs/dbraw/zinc/97/24/71/579972471.db2.gz DZGCHWWERBKKJB-UHFFFAOYSA-N 2 2 336.399 1.659 20 0 EDADLP CC[C@@H](c1nnc(SCOC)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000764448305 580120338 /nfs/dbraw/zinc/12/03/38/580120338.db2.gz JFDGLEHAXCWTOE-ZDUSSCGKSA-N 2 2 343.497 1.319 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1C ZINC000765647185 580147260 /nfs/dbraw/zinc/14/72/60/580147260.db2.gz DSDSSHFYDQLBMK-GJZGRUSLSA-N 2 2 342.447 1.891 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1C ZINC000765647185 580147261 /nfs/dbraw/zinc/14/72/61/580147261.db2.gz DSDSSHFYDQLBMK-GJZGRUSLSA-N 2 2 342.447 1.891 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000765790623 580151419 /nfs/dbraw/zinc/15/14/19/580151419.db2.gz GJJXZJSWMWYJCZ-OKYOBFRVSA-N 3 2 339.524 1.576 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000765790623 580151420 /nfs/dbraw/zinc/15/14/20/580151420.db2.gz GJJXZJSWMWYJCZ-OKYOBFRVSA-N 3 2 339.524 1.576 20 0 EDADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000765790623 580151421 /nfs/dbraw/zinc/15/14/21/580151421.db2.gz GJJXZJSWMWYJCZ-OKYOBFRVSA-N 3 2 339.524 1.576 20 0 EDADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000765790623 580151422 /nfs/dbraw/zinc/15/14/22/580151422.db2.gz GJJXZJSWMWYJCZ-OKYOBFRVSA-N 3 2 339.524 1.576 20 0 EDADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000766024494 580156913 /nfs/dbraw/zinc/15/69/13/580156913.db2.gz WOVVMTQHTXNTBU-UYAOXDASSA-N 2 2 329.488 1.978 20 0 EDADLP CCOC(=O)N1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000768141991 580207833 /nfs/dbraw/zinc/20/78/33/580207833.db2.gz AKUAMUJPEDJUHS-UHFFFAOYSA-N 2 2 335.448 1.901 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769533813 580239530 /nfs/dbraw/zinc/23/95/30/580239530.db2.gz QBSOPXFIYWEPEG-LJQANCHMSA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769533813 580239531 /nfs/dbraw/zinc/23/95/31/580239531.db2.gz QBSOPXFIYWEPEG-LJQANCHMSA-N 2 2 338.455 1.973 20 0 EDADLP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783994013 580611095 /nfs/dbraw/zinc/61/10/95/580611095.db2.gz IUDRKQPRWGMFSX-GOEBONIOSA-N 2 2 342.447 1.573 20 0 EDADLP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783994013 580611096 /nfs/dbraw/zinc/61/10/96/580611096.db2.gz IUDRKQPRWGMFSX-GOEBONIOSA-N 2 2 342.447 1.573 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(N(C)C)[nH+]1 ZINC000784462376 580621463 /nfs/dbraw/zinc/62/14/63/580621463.db2.gz HTFYKIUYXRFVSD-AWEZNQCLSA-N 2 2 345.447 1.090 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c(N(C)C)[nH+]1 ZINC000784462376 580621464 /nfs/dbraw/zinc/62/14/64/580621464.db2.gz HTFYKIUYXRFVSD-AWEZNQCLSA-N 2 2 345.447 1.090 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc(Br)nn2C)C[C@@H](C)O1 ZINC000785417470 580643368 /nfs/dbraw/zinc/64/33/68/580643368.db2.gz PNXRGXWLANZWIR-VXGBXAGGSA-N 2 2 345.285 1.772 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCCOC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785740577 580652029 /nfs/dbraw/zinc/65/20/29/580652029.db2.gz DECFUATVZSXTDQ-FPCVCCKLSA-N 2 2 340.464 1.818 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCCOC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785740577 580652030 /nfs/dbraw/zinc/65/20/30/580652030.db2.gz DECFUATVZSXTDQ-FPCVCCKLSA-N 2 2 340.464 1.818 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)[C@@H](C)C1 ZINC000787303954 580692376 /nfs/dbraw/zinc/69/23/76/580692376.db2.gz NOZNFAPRNMTOEP-JKSUJKDBSA-N 2 2 334.526 1.536 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)[C@@H](C)C1 ZINC000787303954 580692377 /nfs/dbraw/zinc/69/23/77/580692377.db2.gz NOZNFAPRNMTOEP-JKSUJKDBSA-N 2 2 334.526 1.536 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCO1 ZINC000789352980 580743317 /nfs/dbraw/zinc/74/33/17/580743317.db2.gz OJCITHKLBXNVFJ-OAHLLOKOSA-N 2 2 346.475 1.646 20 0 EDADLP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000792233274 580814441 /nfs/dbraw/zinc/81/44/41/580814441.db2.gz ZDMPDJKISUEKAY-QGZVFWFLSA-N 2 2 329.400 1.945 20 0 EDADLP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000792233274 580814442 /nfs/dbraw/zinc/81/44/42/580814442.db2.gz ZDMPDJKISUEKAY-QGZVFWFLSA-N 2 2 329.400 1.945 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[NH+]1CCCCC1 ZINC000793703188 580852533 /nfs/dbraw/zinc/85/25/33/580852533.db2.gz XCDUJVDJPHZGCH-AWEZNQCLSA-N 2 2 347.463 1.106 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[NH+]1CCCCC1 ZINC000793703188 580852534 /nfs/dbraw/zinc/85/25/34/580852534.db2.gz XCDUJVDJPHZGCH-AWEZNQCLSA-N 2 2 347.463 1.106 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3occ4c3CCOC4)C2)CC1 ZINC000796384876 580952777 /nfs/dbraw/zinc/95/27/77/580952777.db2.gz ZIUSOGUOFWDANO-AWEZNQCLSA-N 2 2 333.432 1.251 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3occ4c3CCOC4)C2)CC1 ZINC000796384876 580952778 /nfs/dbraw/zinc/95/27/78/580952778.db2.gz ZIUSOGUOFWDANO-AWEZNQCLSA-N 2 2 333.432 1.251 20 0 EDADLP COC(=O)C[C@@](C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000796498416 580955058 /nfs/dbraw/zinc/95/50/58/580955058.db2.gz DIKYNNFLDUWZQQ-SJLPKXTDSA-N 2 2 338.423 1.650 20 0 EDADLP O=C(CC[NH+]1CCC(F)(F)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000796543370 580956084 /nfs/dbraw/zinc/95/60/84/580956084.db2.gz UROYMQKLXXHEGW-UHFFFAOYSA-N 2 2 338.402 1.851 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000799338778 581025903 /nfs/dbraw/zinc/02/59/03/581025903.db2.gz AZRAFCJAQWCOBP-KGLIPLIRSA-N 2 2 326.872 1.931 20 0 EDADLP CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000799371897 581026662 /nfs/dbraw/zinc/02/66/62/581026662.db2.gz HTSOFPZLSQYEPB-IRXDYDNUSA-N 2 2 335.448 1.471 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)c1 ZINC000892019217 590749595 /nfs/dbraw/zinc/74/95/95/590749595.db2.gz PGMNCFCGFJCKJH-ZWKOTPCHSA-N 2 2 348.491 1.478 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)c1 ZINC000892019217 590749598 /nfs/dbraw/zinc/74/95/98/590749598.db2.gz PGMNCFCGFJCKJH-ZWKOTPCHSA-N 2 2 348.491 1.478 20 0 EDADLP C[C@H]1Cc2cc(C[NH+]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)ccc2O1 ZINC000892177030 590846575 /nfs/dbraw/zinc/84/65/75/590846575.db2.gz YZDRQUIACLMRQF-MAUKXSAKSA-N 2 2 343.471 1.748 20 0 EDADLP C[C@H]1Cc2cc(C[NH+]3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)ccc2O1 ZINC000892177030 590846578 /nfs/dbraw/zinc/84/65/78/590846578.db2.gz YZDRQUIACLMRQF-MAUKXSAKSA-N 2 2 343.471 1.748 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)C1 ZINC000892236779 590880622 /nfs/dbraw/zinc/88/06/22/590880622.db2.gz FDQNZVRGBDHBKC-JKSUJKDBSA-N 2 2 329.448 1.670 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)C1 ZINC000892236779 590880623 /nfs/dbraw/zinc/88/06/23/590880623.db2.gz FDQNZVRGBDHBKC-JKSUJKDBSA-N 2 2 329.448 1.670 20 0 EDADLP CN(C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CC[NH2+]CC1 ZINC000892513749 591054653 /nfs/dbraw/zinc/05/46/53/591054653.db2.gz JSJOGMSGMXXYSH-UHFFFAOYSA-N 2 2 349.504 1.528 20 0 EDADLP O=S1CCC([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000892521016 591056972 /nfs/dbraw/zinc/05/69/72/591056972.db2.gz GNBYHEZCGRXZCI-UHFFFAOYSA-N 2 2 335.517 1.699 20 0 EDADLP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCCn2cc[nH+]c2C)c1 ZINC000891468003 591081592 /nfs/dbraw/zinc/08/15/92/591081592.db2.gz REOIRVZWVHGFJS-QGZVFWFLSA-N 2 2 343.431 1.556 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000891558893 591125299 /nfs/dbraw/zinc/12/52/99/591125299.db2.gz YHFDLLGGFWFEAD-OAHLLOKOSA-N 2 2 326.404 1.472 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000891558893 591125301 /nfs/dbraw/zinc/12/53/01/591125301.db2.gz YHFDLLGGFWFEAD-OAHLLOKOSA-N 2 2 326.404 1.472 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+]2CCCCC2)CC1 ZINC000891605790 591146897 /nfs/dbraw/zinc/14/68/97/591146897.db2.gz IMQDKTMRHBUFRE-CALCHBBNSA-N 3 2 349.523 1.083 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000891709349 591195623 /nfs/dbraw/zinc/19/56/23/591195623.db2.gz QCVIWPUOPCOQAT-HUUCEWRRSA-N 2 2 331.464 1.738 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000894232048 591238586 /nfs/dbraw/zinc/23/85/86/591238586.db2.gz BELWBBMYFSPXQA-YOEHRIQHSA-N 2 2 327.432 1.740 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000894232048 591238590 /nfs/dbraw/zinc/23/85/90/591238590.db2.gz BELWBBMYFSPXQA-YOEHRIQHSA-N 2 2 327.432 1.740 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]Cc2c[nH+]c[nH]2)s1 ZINC000894233637 591238951 /nfs/dbraw/zinc/23/89/51/591238951.db2.gz KJZLEKFPTPDFNO-UHFFFAOYSA-N 2 2 342.490 1.834 20 0 EDADLP Cc1cc(C[NH2+]C2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)[nH]n1 ZINC000893028524 591259749 /nfs/dbraw/zinc/25/97/49/591259749.db2.gz KQEDTVMZQFJPHK-UHFFFAOYSA-N 2 2 337.468 1.797 20 0 EDADLP Cn1cc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)nn1 ZINC000894435760 591312224 /nfs/dbraw/zinc/31/22/24/591312224.db2.gz ATHWYDXGPMLQGG-UHFFFAOYSA-N 2 2 339.346 1.488 20 0 EDADLP Cc1cc(N)nc(NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)[nH+]1 ZINC000894632573 591372102 /nfs/dbraw/zinc/37/21/02/591372102.db2.gz UKCKUFJLKNGQAP-MRXNPFEDSA-N 2 2 326.448 1.595 20 0 EDADLP Cc1cc(N)nc(NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)[nH+]1 ZINC000894632573 591372106 /nfs/dbraw/zinc/37/21/06/591372106.db2.gz UKCKUFJLKNGQAP-MRXNPFEDSA-N 2 2 326.448 1.595 20 0 EDADLP Cc1cc(N)nc(NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000894632573 591372109 /nfs/dbraw/zinc/37/21/09/591372109.db2.gz UKCKUFJLKNGQAP-MRXNPFEDSA-N 2 2 326.448 1.595 20 0 EDADLP Cc1cc(N)nc(NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000894632573 591372113 /nfs/dbraw/zinc/37/21/13/591372113.db2.gz UKCKUFJLKNGQAP-MRXNPFEDSA-N 2 2 326.448 1.595 20 0 EDADLP CN1CCN(C(=O)NC[C@@H]2c3ccccc3C[NH+]2C)CC[N@@H+](C)CC1 ZINC000896241299 591398107 /nfs/dbraw/zinc/39/81/07/591398107.db2.gz XUUKOAJHRPWJFN-GOSISDBHSA-N 2 2 345.491 1.062 20 0 EDADLP CN1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC[NH+](C)CC1 ZINC000896241299 591398110 /nfs/dbraw/zinc/39/81/10/591398110.db2.gz XUUKOAJHRPWJFN-GOSISDBHSA-N 2 2 345.491 1.062 20 0 EDADLP CN1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC[NH+](C)CC1 ZINC000896241299 591398112 /nfs/dbraw/zinc/39/81/12/591398112.db2.gz XUUKOAJHRPWJFN-GOSISDBHSA-N 2 2 345.491 1.062 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cn(C)c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000898619226 591443831 /nfs/dbraw/zinc/44/38/31/591443831.db2.gz HXPOBXMHKRAVMS-OAHLLOKOSA-N 2 2 327.432 1.836 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cn(C)c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000898619226 591443834 /nfs/dbraw/zinc/44/38/34/591443834.db2.gz HXPOBXMHKRAVMS-OAHLLOKOSA-N 2 2 327.432 1.836 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ncc(C(=O)OC)s2)CC1 ZINC000894941190 591489827 /nfs/dbraw/zinc/48/98/27/591489827.db2.gz QNEHRXNHWNOJEQ-UHFFFAOYSA-N 2 2 340.493 1.435 20 0 EDADLP Brc1c[nH+]c2n1C[C@H]([NH2+]Cc1cnc3cnccn13)CC2 ZINC000898724211 591490176 /nfs/dbraw/zinc/49/01/76/591490176.db2.gz LXNUENQPLBQUGM-SNVBAGLBSA-N 2 2 347.220 1.793 20 0 EDADLP CN1CC[C@H]1C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000896591428 591545053 /nfs/dbraw/zinc/54/50/53/591545053.db2.gz CQFCKMIKBOIDDI-HNNXBMFYSA-N 2 2 326.485 1.269 20 0 EDADLP CSC(C)(C)CC[NH+]1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000897573473 591562302 /nfs/dbraw/zinc/56/23/02/591562302.db2.gz KABVLEVIJHOCBU-UHFFFAOYSA-N 2 2 336.509 1.985 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896791450 591613234 /nfs/dbraw/zinc/61/32/34/591613234.db2.gz LALNNOLBJZANMA-QGZVFWFLSA-N 2 2 349.479 1.359 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896791450 591613236 /nfs/dbraw/zinc/61/32/36/591613236.db2.gz LALNNOLBJZANMA-QGZVFWFLSA-N 2 2 349.479 1.359 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899058868 591658237 /nfs/dbraw/zinc/65/82/37/591658237.db2.gz XXRQZJJYYSPIOG-UHFFFAOYSA-N 2 2 327.469 1.064 20 0 EDADLP CCCCCC[NH+](C)CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899058868 591658240 /nfs/dbraw/zinc/65/82/40/591658240.db2.gz XXRQZJJYYSPIOG-UHFFFAOYSA-N 2 2 327.469 1.064 20 0 EDADLP CCCCCC[NH+](C)CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899058868 591658241 /nfs/dbraw/zinc/65/82/41/591658241.db2.gz XXRQZJJYYSPIOG-UHFFFAOYSA-N 2 2 327.469 1.064 20 0 EDADLP C[C@H]1CC2(CC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C2)CO1 ZINC000897800562 591673083 /nfs/dbraw/zinc/67/30/83/591673083.db2.gz RVHKKFCKJOHZII-UQPPLGOBSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1CC2(CC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2)CO1 ZINC000897800562 591673086 /nfs/dbraw/zinc/67/30/86/591673086.db2.gz RVHKKFCKJOHZII-UQPPLGOBSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1nc(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c(Br)c(C)[nH+]1 ZINC000895245039 591676463 /nfs/dbraw/zinc/67/64/63/591676463.db2.gz CQKVCSLVYUWLDF-SKDRFNHKSA-N 2 2 342.285 1.902 20 0 EDADLP Cc1nc(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c(Br)c(C)[nH+]1 ZINC000895245039 591676466 /nfs/dbraw/zinc/67/64/66/591676466.db2.gz CQKVCSLVYUWLDF-SKDRFNHKSA-N 2 2 342.285 1.902 20 0 EDADLP CSCC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000896937688 591688047 /nfs/dbraw/zinc/68/80/47/591688047.db2.gz ZYTNELFLQPZZQB-UHFFFAOYSA-N 2 2 335.521 1.803 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000899173988 591718345 /nfs/dbraw/zinc/71/83/45/591718345.db2.gz XUCYFHBUCQIDFU-MRXNPFEDSA-N 2 2 331.464 1.036 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000899173988 591718346 /nfs/dbraw/zinc/71/83/46/591718346.db2.gz XUCYFHBUCQIDFU-MRXNPFEDSA-N 2 2 331.464 1.036 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899177551 591719984 /nfs/dbraw/zinc/71/99/84/591719984.db2.gz BNGZILREHCONQW-SFHVURJKSA-N 2 2 329.444 1.400 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899177551 591719986 /nfs/dbraw/zinc/71/99/86/591719986.db2.gz BNGZILREHCONQW-SFHVURJKSA-N 2 2 329.444 1.400 20 0 EDADLP C[C@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000897975494 591735065 /nfs/dbraw/zinc/73/50/65/591735065.db2.gz KKEVEHUEWZUYSA-QFBILLFUSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000897975494 591735067 /nfs/dbraw/zinc/73/50/67/591735067.db2.gz KKEVEHUEWZUYSA-QFBILLFUSA-N 2 2 343.471 1.440 20 0 EDADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899232074 591738071 /nfs/dbraw/zinc/73/80/71/591738071.db2.gz KZFUSEUYRQVJNK-ZWKOTPCHSA-N 2 2 340.427 1.461 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000899244652 591744149 /nfs/dbraw/zinc/74/41/49/591744149.db2.gz GIKPLGIEWGOQGM-INIZCTEOSA-N 2 2 341.459 1.974 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000895473353 591769441 /nfs/dbraw/zinc/76/94/41/591769441.db2.gz OIMVMPUAMVAXED-GASCZTMLSA-N 2 2 349.479 1.845 20 0 EDADLP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000895482348 591777514 /nfs/dbraw/zinc/77/75/14/591777514.db2.gz BLELGPLTJIWFKM-UHFFFAOYSA-N 2 2 349.500 1.503 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCCC[NH+]2CCC[C@H]2CO)[nH]n1 ZINC000897235967 591781189 /nfs/dbraw/zinc/78/11/89/591781189.db2.gz VITMAFYHPNZNFW-WMLDXEAASA-N 2 2 349.479 1.143 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCCC[NH+]2CCC[C@H]2CO)[nH]n1 ZINC000897235967 591781192 /nfs/dbraw/zinc/78/11/92/591781192.db2.gz VITMAFYHPNZNFW-WMLDXEAASA-N 2 2 349.479 1.143 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)[nH]n1 ZINC000897235967 591781195 /nfs/dbraw/zinc/78/11/95/591781195.db2.gz VITMAFYHPNZNFW-WMLDXEAASA-N 2 2 349.479 1.143 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)[nH]n1 ZINC000897235967 591781198 /nfs/dbraw/zinc/78/11/98/591781198.db2.gz VITMAFYHPNZNFW-WMLDXEAASA-N 2 2 349.479 1.143 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCCC[NH+]2CCC[C@H]2CO)n[nH]1 ZINC000897235967 591781200 /nfs/dbraw/zinc/78/12/00/591781200.db2.gz VITMAFYHPNZNFW-WMLDXEAASA-N 2 2 349.479 1.143 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCCC[NH+]2CCC[C@H]2CO)n[nH]1 ZINC000897235967 591781202 /nfs/dbraw/zinc/78/12/02/591781202.db2.gz VITMAFYHPNZNFW-WMLDXEAASA-N 2 2 349.479 1.143 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cn21 ZINC000895533380 591791439 /nfs/dbraw/zinc/79/14/39/591791439.db2.gz HUBCHCDLAUMZOE-GDBMZVCRSA-N 2 2 327.432 1.531 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000895553572 591799929 /nfs/dbraw/zinc/79/99/29/591799929.db2.gz GTUQLIRINGNPPB-UHFFFAOYSA-N 2 2 343.471 1.927 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C[C@@H](C)O1 ZINC000895568883 591809294 /nfs/dbraw/zinc/80/92/94/591809294.db2.gz XCMPIHIZXGFIQG-CKEIUWERSA-N 2 2 349.479 1.406 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C[C@@H](C)O1 ZINC000895568883 591809296 /nfs/dbraw/zinc/80/92/96/591809296.db2.gz XCMPIHIZXGFIQG-CKEIUWERSA-N 2 2 349.479 1.406 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900191733 591935284 /nfs/dbraw/zinc/93/52/84/591935284.db2.gz DKJMUKCNVGDUOY-UHFFFAOYSA-N 2 2 342.487 1.858 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902201729 591944485 /nfs/dbraw/zinc/94/44/85/591944485.db2.gz QAYNWGRSTRBLGO-FACIQBDNSA-N 2 2 340.427 1.364 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902201729 591944487 /nfs/dbraw/zinc/94/44/87/591944487.db2.gz QAYNWGRSTRBLGO-FACIQBDNSA-N 2 2 340.427 1.364 20 0 EDADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000902255024 591954588 /nfs/dbraw/zinc/95/45/88/591954588.db2.gz FMDAWEQKVHSBTF-QGZVFWFLSA-N 2 2 346.475 1.059 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1c[nH+]ccc1N ZINC000902515031 592008881 /nfs/dbraw/zinc/00/88/81/592008881.db2.gz SSJMPHDVNACPDY-LBPRGKRZSA-N 2 2 334.445 1.741 20 0 EDADLP C/C(=C\C(=O)N(CC[NH+](C)C)c1ccccc1)C[NH+]1CCOCC1 ZINC000900428275 592015500 /nfs/dbraw/zinc/01/55/00/592015500.db2.gz ADGAPJYXIKLXJU-BMRADRMJSA-N 2 2 331.460 1.860 20 0 EDADLP COc1cccc(O)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900670700 592090278 /nfs/dbraw/zinc/09/02/78/592090278.db2.gz UAAUHYOIKMPUME-OAHLLOKOSA-N 2 2 347.459 1.641 20 0 EDADLP COc1cccc(O)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900670700 592090280 /nfs/dbraw/zinc/09/02/80/592090280.db2.gz UAAUHYOIKMPUME-OAHLLOKOSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000900693193 592097189 /nfs/dbraw/zinc/09/71/89/592097189.db2.gz OKYAASJZOBRDTR-UHFFFAOYSA-N 2 2 348.491 1.507 20 0 EDADLP COc1ccc(CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000900693193 592097191 /nfs/dbraw/zinc/09/71/91/592097191.db2.gz OKYAASJZOBRDTR-UHFFFAOYSA-N 2 2 348.491 1.507 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCO[C@]34CCOC4)[nH+]c2)CC1 ZINC000903139836 592126355 /nfs/dbraw/zinc/12/63/55/592126355.db2.gz VCHAZTZKVLDUGL-HKUYNNGSSA-N 2 2 346.475 1.972 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178887 592131510 /nfs/dbraw/zinc/13/15/10/592131510.db2.gz ZXAIXMYXEUOYGY-CABCVRRESA-N 2 2 341.496 1.869 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178887 592131512 /nfs/dbraw/zinc/13/15/12/592131512.db2.gz ZXAIXMYXEUOYGY-CABCVRRESA-N 2 2 341.496 1.869 20 0 EDADLP C[C@H](NC(=O)CNc1cccc[nH+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000900849414 592147109 /nfs/dbraw/zinc/14/71/09/592147109.db2.gz YGIQYKWEBKFSFJ-HNNXBMFYSA-N 2 2 332.448 1.643 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000900872405 592152552 /nfs/dbraw/zinc/15/25/52/592152552.db2.gz WEGIMRSNLRWXIU-MRXNPFEDSA-N 2 2 333.423 1.021 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000900872405 592152556 /nfs/dbraw/zinc/15/25/56/592152556.db2.gz WEGIMRSNLRWXIU-MRXNPFEDSA-N 2 2 333.423 1.021 20 0 EDADLP C[NH+](CC(F)F)C1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900872405 592152557 /nfs/dbraw/zinc/15/25/57/592152557.db2.gz WEGIMRSNLRWXIU-MRXNPFEDSA-N 2 2 333.423 1.021 20 0 EDADLP C[NH+](CC(F)F)C1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900872405 592152560 /nfs/dbraw/zinc/15/25/60/592152560.db2.gz WEGIMRSNLRWXIU-MRXNPFEDSA-N 2 2 333.423 1.021 20 0 EDADLP CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000903479562 592176584 /nfs/dbraw/zinc/17/65/84/592176584.db2.gz LHDKUVHGURDLSD-KCJUWKMLSA-N 2 2 327.226 1.075 20 0 EDADLP C/C(=C/C(=O)NCCCNc1ccc(C)c[nH+]1)C[NH+]1CCOCC1 ZINC000900936858 592178514 /nfs/dbraw/zinc/17/85/14/592178514.db2.gz IINHDRWICWEHKL-VBKFSLOCSA-N 2 2 332.448 1.587 20 0 EDADLP CCCOc1ccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000903566717 592212572 /nfs/dbraw/zinc/21/25/72/592212572.db2.gz ZGAIEQRFCSDAMU-UHFFFAOYSA-N 2 2 341.477 1.177 20 0 EDADLP C[C@]1(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]C1 ZINC000904332918 592232591 /nfs/dbraw/zinc/23/25/91/592232591.db2.gz UCPVMSYUNAFGLO-IRXDYDNUSA-N 2 2 343.537 1.703 20 0 EDADLP C[C@]1(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]C1 ZINC000904332918 592232594 /nfs/dbraw/zinc/23/25/94/592232594.db2.gz UCPVMSYUNAFGLO-IRXDYDNUSA-N 2 2 343.537 1.703 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1C ZINC000904373390 592241112 /nfs/dbraw/zinc/24/11/12/592241112.db2.gz DIEPSVSNXUEQBP-DLBZAZTESA-N 2 2 328.416 1.442 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1C ZINC000904373390 592241116 /nfs/dbraw/zinc/24/11/16/592241116.db2.gz DIEPSVSNXUEQBP-DLBZAZTESA-N 2 2 328.416 1.442 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000906676337 592256655 /nfs/dbraw/zinc/25/66/55/592256655.db2.gz CJMXVPVFZYMREU-JKSUJKDBSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000906676337 592256657 /nfs/dbraw/zinc/25/66/57/592256657.db2.gz CJMXVPVFZYMREU-JKSUJKDBSA-N 2 2 339.480 1.060 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1C ZINC000904461889 592258822 /nfs/dbraw/zinc/25/88/22/592258822.db2.gz PRECJSDEIKLJNO-IEBWSBKVSA-N 2 2 342.443 1.777 20 0 EDADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000904462921 592259760 /nfs/dbraw/zinc/25/97/60/592259760.db2.gz MLOZNCCXWYLUHR-INIZCTEOSA-N 2 2 328.416 1.936 20 0 EDADLP Cc1cc(C)n2c(CN3C[C@@H](c4cn(C)c[nH+]4)[C@H]([NH3+])C3)cnc2n1 ZINC000904493467 592266631 /nfs/dbraw/zinc/26/66/31/592266631.db2.gz BIXDOZBCDDEDQQ-HUUCEWRRSA-N 2 2 325.420 1.006 20 0 EDADLP C[C@@H]1CCCN(C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)[C@@H]1CCC[NH3+] ZINC000904537039 592282305 /nfs/dbraw/zinc/28/23/05/592282305.db2.gz DYGSHPPQVAGAKC-UKRRQHHQSA-N 2 2 334.468 1.700 20 0 EDADLP C[C@@H]1CCCN(C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)[C@@H]1CCC[NH3+] ZINC000904537039 592282307 /nfs/dbraw/zinc/28/23/07/592282307.db2.gz DYGSHPPQVAGAKC-UKRRQHHQSA-N 2 2 334.468 1.700 20 0 EDADLP C/C=C\[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201292 592283717 /nfs/dbraw/zinc/28/37/17/592283717.db2.gz OBAJSDYGJWZVCE-ZDEUIFLLSA-N 2 2 337.508 1.719 20 0 EDADLP C/C=C\[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201292 592283718 /nfs/dbraw/zinc/28/37/18/592283718.db2.gz OBAJSDYGJWZVCE-ZDEUIFLLSA-N 2 2 337.508 1.719 20 0 EDADLP Cn1cc[nH+]c1CN(C[C@@H]1CCCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000903746069 592293083 /nfs/dbraw/zinc/29/30/83/592293083.db2.gz VNKIDDNVUYZACB-SJORKVTESA-N 3 2 331.508 1.754 20 0 EDADLP c1cc(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)nc2c1CC[NH2+]C2 ZINC000904642716 592301722 /nfs/dbraw/zinc/30/17/22/592301722.db2.gz DSNNLMMEEQZLDG-BBRMVZONSA-N 2 2 341.415 1.703 20 0 EDADLP COc1ccc([C@@H]2COCC[N@@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903780159 592320129 /nfs/dbraw/zinc/32/01/29/592320129.db2.gz DXMFRRCMUDXMDF-GBESFXJTSA-N 2 2 332.444 1.837 20 0 EDADLP COc1ccc([C@@H]2COCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903780159 592320132 /nfs/dbraw/zinc/32/01/32/592320132.db2.gz DXMFRRCMUDXMDF-GBESFXJTSA-N 2 2 332.444 1.837 20 0 EDADLP CCOC(=O)c1csc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)n1 ZINC000903787137 592323178 /nfs/dbraw/zinc/32/31/78/592323178.db2.gz UJKNHUBFDCDVMN-LBPRGKRZSA-N 2 2 339.461 1.650 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814610 592324588 /nfs/dbraw/zinc/32/45/88/592324588.db2.gz NSILZSRMRPDPJL-HNNXBMFYSA-N 2 2 333.480 1.959 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814610 592324592 /nfs/dbraw/zinc/32/45/92/592324592.db2.gz NSILZSRMRPDPJL-HNNXBMFYSA-N 2 2 333.480 1.959 20 0 EDADLP O=C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)N1CCc2sccc2C1 ZINC000903816327 592324655 /nfs/dbraw/zinc/32/46/55/592324655.db2.gz XAIMIUNWJHPDJM-UHFFFAOYSA-N 2 2 349.500 1.477 20 0 EDADLP O=C(C[N@H+]1CC[NH2+]CCC12CCOCC2)N1CCc2sccc2C1 ZINC000903816327 592324656 /nfs/dbraw/zinc/32/46/56/592324656.db2.gz XAIMIUNWJHPDJM-UHFFFAOYSA-N 2 2 349.500 1.477 20 0 EDADLP O=C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)N1CCCc2ccccc21 ZINC000903814221 592324684 /nfs/dbraw/zinc/32/46/84/592324684.db2.gz LTFKQEGWHPMRKJ-UHFFFAOYSA-N 2 2 343.471 1.810 20 0 EDADLP O=C(C[N@H+]1CC[NH2+]CCC12CCOCC2)N1CCCc2ccccc21 ZINC000903814221 592324687 /nfs/dbraw/zinc/32/46/87/592324687.db2.gz LTFKQEGWHPMRKJ-UHFFFAOYSA-N 2 2 343.471 1.810 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903805916 592328191 /nfs/dbraw/zinc/32/81/91/592328191.db2.gz SESDOYHUJMAWBC-SZVBFZGTSA-N 2 2 347.459 1.588 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903805916 592328195 /nfs/dbraw/zinc/32/81/95/592328195.db2.gz SESDOYHUJMAWBC-SZVBFZGTSA-N 2 2 347.459 1.588 20 0 EDADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908135100 592346598 /nfs/dbraw/zinc/34/65/98/592346598.db2.gz JQVMXQLLJSFPFT-HWOWSKLDSA-N 2 2 332.448 1.205 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908157582 592352764 /nfs/dbraw/zinc/35/27/64/592352764.db2.gz VNJOCDAEEMNHCH-FBMGVBCBSA-N 2 2 337.508 1.989 20 0 EDADLP [NH3+][C@@H](CC(F)F)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000903875830 592356627 /nfs/dbraw/zinc/35/66/27/592356627.db2.gz CSSUUFJFTQWUEB-AWEZNQCLSA-N 2 2 341.402 1.558 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903894956 592366732 /nfs/dbraw/zinc/36/67/32/592366732.db2.gz IRNVUIOUEXNOKP-SJORKVTESA-N 3 2 332.496 1.653 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903894956 592366736 /nfs/dbraw/zinc/36/67/36/592366736.db2.gz IRNVUIOUEXNOKP-SJORKVTESA-N 3 2 332.496 1.653 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cnn1C ZINC000903896106 592367722 /nfs/dbraw/zinc/36/77/22/592367722.db2.gz SGUNJVVQEPPXMO-MJGOQNOKSA-N 3 2 333.524 1.796 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cnn1C ZINC000903896106 592367727 /nfs/dbraw/zinc/36/77/27/592367727.db2.gz SGUNJVVQEPPXMO-MJGOQNOKSA-N 3 2 333.524 1.796 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1CC(F)F ZINC000903898766 592369048 /nfs/dbraw/zinc/36/90/48/592369048.db2.gz PUJSRFQOOOLNSF-KGLIPLIRSA-N 2 2 342.438 1.364 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1CC(F)F ZINC000903898766 592369053 /nfs/dbraw/zinc/36/90/53/592369053.db2.gz PUJSRFQOOOLNSF-KGLIPLIRSA-N 2 2 342.438 1.364 20 0 EDADLP Cc1nnc([C@@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898083 592369719 /nfs/dbraw/zinc/36/97/19/592369719.db2.gz IQSMZVCMDOXXRM-ZIAGYGMSSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nnc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898083 592369722 /nfs/dbraw/zinc/36/97/22/592369722.db2.gz IQSMZVCMDOXXRM-ZIAGYGMSSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903898083 592369726 /nfs/dbraw/zinc/36/97/26/592369726.db2.gz IQSMZVCMDOXXRM-ZIAGYGMSSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903898083 592369731 /nfs/dbraw/zinc/36/97/31/592369731.db2.gz IQSMZVCMDOXXRM-ZIAGYGMSSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nc([C@@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903898083 592369734 /nfs/dbraw/zinc/36/97/34/592369734.db2.gz IQSMZVCMDOXXRM-ZIAGYGMSSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903898083 592369738 /nfs/dbraw/zinc/36/97/38/592369738.db2.gz IQSMZVCMDOXXRM-ZIAGYGMSSA-N 2 2 330.440 1.009 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000906823647 592373343 /nfs/dbraw/zinc/37/33/43/592373343.db2.gz OQLKJWZHPMASDX-DJIMGWMZSA-N 2 2 333.476 1.278 20 0 EDADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)CC1(O)CCCCC1 ZINC000905037553 592374231 /nfs/dbraw/zinc/37/42/31/592374231.db2.gz LIXBTQINIOUNST-INIZCTEOSA-N 2 2 330.432 1.803 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cnn1C ZINC000903931191 592383879 /nfs/dbraw/zinc/38/38/79/592383879.db2.gz AOPCEXQDAKFAFR-MRXNPFEDSA-N 3 2 340.475 1.634 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cnn1C ZINC000903933601 592384954 /nfs/dbraw/zinc/38/49/54/592384954.db2.gz STQDEHIICXDBJG-LNSITVRQSA-N 2 2 348.413 1.888 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cnn1C ZINC000903933601 592384960 /nfs/dbraw/zinc/38/49/60/592384960.db2.gz STQDEHIICXDBJG-LNSITVRQSA-N 2 2 348.413 1.888 20 0 EDADLP C[C@](O)(C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C(F)F ZINC000905062369 592397374 /nfs/dbraw/zinc/39/73/74/592397374.db2.gz XOOHVNZVBYZMNK-KRWDZBQOSA-N 2 2 344.402 1.503 20 0 EDADLP CN1C(=O)CCc2cc(C[NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)ccc21 ZINC000903974948 592398202 /nfs/dbraw/zinc/39/82/02/592398202.db2.gz XJVAKYJSUVFWDQ-KRWDZBQOSA-N 2 2 343.471 1.844 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2c3ccccc3OC[C@H]2F)cnn1C ZINC000903986589 592406527 /nfs/dbraw/zinc/40/65/27/592406527.db2.gz MSLZXLBKAFBJHL-QBIMZIAESA-N 2 2 332.423 1.907 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000906941556 592420914 /nfs/dbraw/zinc/42/09/14/592420914.db2.gz NSZMJHFKAIUPGG-HZPDHXFCSA-N 2 2 346.475 1.175 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H]3C[NH+](C4CC4)C[C@@H]3C)co2)C1 ZINC000906970204 592443533 /nfs/dbraw/zinc/44/35/33/592443533.db2.gz DUJVAMNVLNXBGO-AEGPPILISA-N 2 2 348.447 1.108 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H]3C[NH+](C4CC4)C[C@@H]3C)co2)C1 ZINC000906970204 592443534 /nfs/dbraw/zinc/44/35/34/592443534.db2.gz DUJVAMNVLNXBGO-AEGPPILISA-N 2 2 348.447 1.108 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)co2)C1 ZINC000906970204 592443537 /nfs/dbraw/zinc/44/35/37/592443537.db2.gz DUJVAMNVLNXBGO-AEGPPILISA-N 2 2 348.447 1.108 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)co2)C1 ZINC000906970204 592443541 /nfs/dbraw/zinc/44/35/41/592443541.db2.gz DUJVAMNVLNXBGO-AEGPPILISA-N 2 2 348.447 1.108 20 0 EDADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000904303931 592472322 /nfs/dbraw/zinc/47/23/22/592472322.db2.gz MTXYHKCUKJRNQH-MRXNPFEDSA-N 2 2 325.497 1.711 20 0 EDADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(-n3cccn3)c(F)c2)CC1 ZINC000905294034 592487283 /nfs/dbraw/zinc/48/72/83/592487283.db2.gz QCHXLMOBEPNLKY-UHFFFAOYSA-N 2 2 346.410 1.556 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)c2cc(F)ccc2C[NH2+]1 ZINC000905345442 592501372 /nfs/dbraw/zinc/50/13/72/592501372.db2.gz WXUXRRUKQZHSOZ-GFCCVEGCSA-N 2 2 341.452 1.453 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000905378494 592520017 /nfs/dbraw/zinc/52/00/17/592520017.db2.gz LPYMDQNGCJJTFA-KBPBESRZSA-N 2 2 336.436 1.109 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000905378494 592520018 /nfs/dbraw/zinc/52/00/18/592520018.db2.gz LPYMDQNGCJJTFA-KBPBESRZSA-N 2 2 336.436 1.109 20 0 EDADLP CC[NH+]1CCC[C@H]1CNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000905378494 592520019 /nfs/dbraw/zinc/52/00/19/592520019.db2.gz LPYMDQNGCJJTFA-KBPBESRZSA-N 2 2 336.436 1.109 20 0 EDADLP CC[NH+]1CCC[C@H]1CNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000905378494 592520020 /nfs/dbraw/zinc/52/00/20/592520020.db2.gz LPYMDQNGCJJTFA-KBPBESRZSA-N 2 2 336.436 1.109 20 0 EDADLP O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000908601955 592549930 /nfs/dbraw/zinc/54/99/30/592549930.db2.gz KJGHQMWKQZJWNH-INIZCTEOSA-N 2 2 344.459 1.836 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000905542351 592557253 /nfs/dbraw/zinc/55/72/53/592557253.db2.gz JBOXYZHYBWMKKU-VKJFTORMSA-N 2 2 341.496 1.821 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000905542351 592557257 /nfs/dbraw/zinc/55/72/57/592557257.db2.gz JBOXYZHYBWMKKU-VKJFTORMSA-N 2 2 341.496 1.821 20 0 EDADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)c1 ZINC000905524570 592560920 /nfs/dbraw/zinc/56/09/20/592560920.db2.gz JSKDBKPSPFIDBJ-HNNXBMFYSA-N 2 2 338.452 1.513 20 0 EDADLP COc1ccc(COC[C@@H](O)C[NH2+]Cc2cc(N(C)C)cc[nH+]2)cc1 ZINC000905526473 592561505 /nfs/dbraw/zinc/56/15/05/592561505.db2.gz VTHCUILQRGDZLI-SFHVURJKSA-N 2 2 345.443 1.824 20 0 EDADLP CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905562711 592567504 /nfs/dbraw/zinc/56/75/04/592567504.db2.gz YHEKKHKVXWLGGE-INIZCTEOSA-N 2 2 340.489 1.067 20 0 EDADLP CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905562711 592567506 /nfs/dbraw/zinc/56/75/06/592567506.db2.gz YHEKKHKVXWLGGE-INIZCTEOSA-N 2 2 340.489 1.067 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)CC1(O)CCCCC1 ZINC000905619450 592595962 /nfs/dbraw/zinc/59/59/62/592595962.db2.gz MUZMHVVZYOLCHR-IRXDYDNUSA-N 2 2 326.481 1.276 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)CC1(O)CCCCC1 ZINC000905619450 592595965 /nfs/dbraw/zinc/59/59/65/592595965.db2.gz MUZMHVVZYOLCHR-IRXDYDNUSA-N 2 2 326.481 1.276 20 0 EDADLP COc1nn(C)cc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905673445 592608316 /nfs/dbraw/zinc/60/83/16/592608316.db2.gz ATTGAGKJGTTXEN-GOSISDBHSA-N 2 2 330.432 1.155 20 0 EDADLP COc1nn(C)cc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905673445 592608320 /nfs/dbraw/zinc/60/83/20/592608320.db2.gz ATTGAGKJGTTXEN-GOSISDBHSA-N 2 2 330.432 1.155 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000905709336 592618733 /nfs/dbraw/zinc/61/87/33/592618733.db2.gz KUFSPGAIMGPWSU-AYOQOUSVSA-N 2 2 346.471 1.727 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000905709336 592618735 /nfs/dbraw/zinc/61/87/35/592618735.db2.gz KUFSPGAIMGPWSU-AYOQOUSVSA-N 2 2 346.471 1.727 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000907877947 592826125 /nfs/dbraw/zinc/82/61/25/592826125.db2.gz XDYSTBYIBGVSHZ-KGLIPLIRSA-N 2 2 338.452 1.355 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000907877947 592826128 /nfs/dbraw/zinc/82/61/28/592826128.db2.gz XDYSTBYIBGVSHZ-KGLIPLIRSA-N 2 2 338.452 1.355 20 0 EDADLP COCC(COC)[NH+]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000910403787 592854730 /nfs/dbraw/zinc/85/47/30/592854730.db2.gz UKYHEILCFUWHMX-UHFFFAOYSA-N 2 2 335.448 1.426 20 0 EDADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1OCC[C@@H]1c1nnc[nH]1 ZINC000911602816 592957883 /nfs/dbraw/zinc/95/78/83/592957883.db2.gz KGFPCGPKFHOIPR-HOTGVXAUSA-N 2 2 339.403 1.390 20 0 EDADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1OCC[C@@H]1c1nnc[nH]1 ZINC000911602816 592957886 /nfs/dbraw/zinc/95/78/86/592957886.db2.gz KGFPCGPKFHOIPR-HOTGVXAUSA-N 2 2 339.403 1.390 20 0 EDADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C2CCCC2)n1 ZINC000912387433 593089857 /nfs/dbraw/zinc/08/98/57/593089857.db2.gz PQICESLXWBMNMX-UHFFFAOYSA-N 2 2 335.496 1.691 20 0 EDADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C2CCCC2)n1 ZINC000912387433 593089858 /nfs/dbraw/zinc/08/98/58/593089858.db2.gz PQICESLXWBMNMX-UHFFFAOYSA-N 2 2 335.496 1.691 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)CC2 ZINC000912595840 593107205 /nfs/dbraw/zinc/10/72/05/593107205.db2.gz GKORJCFCVFDBOK-MRXNPFEDSA-N 2 2 348.491 1.353 20 0 EDADLP O=C1N(C[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C2CC2)[C@@]12CCCO2 ZINC000839955012 593224208 /nfs/dbraw/zinc/22/42/08/593224208.db2.gz YNWXXFDLPATUTG-HKUYNNGSSA-N 2 2 342.443 1.331 20 0 EDADLP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000838853113 593225732 /nfs/dbraw/zinc/22/57/32/593225732.db2.gz IVLBDEUHCUAWMO-IRXDYDNUSA-N 2 2 339.524 1.924 20 0 EDADLP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000838853113 593225733 /nfs/dbraw/zinc/22/57/33/593225733.db2.gz IVLBDEUHCUAWMO-IRXDYDNUSA-N 2 2 339.524 1.924 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000802732162 593273990 /nfs/dbraw/zinc/27/39/90/593273990.db2.gz AYTIFXXACKQJEX-QGZVFWFLSA-N 2 2 333.436 1.663 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)N[C@](C)(C2CCCC2)C1=O ZINC000802732162 593273992 /nfs/dbraw/zinc/27/39/92/593273992.db2.gz AYTIFXXACKQJEX-QGZVFWFLSA-N 2 2 333.436 1.663 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000802734842 593274526 /nfs/dbraw/zinc/27/45/26/593274526.db2.gz VHBISQPVGQMXGH-QGZVFWFLSA-N 2 2 333.436 1.663 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000802734842 593274527 /nfs/dbraw/zinc/27/45/27/593274527.db2.gz VHBISQPVGQMXGH-QGZVFWFLSA-N 2 2 333.436 1.663 20 0 EDADLP C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)C[NH+]1CCCC1 ZINC000808802957 593289024 /nfs/dbraw/zinc/28/90/24/593289024.db2.gz WLXMOQHYYQDAEQ-CYBMUJFWSA-N 2 2 331.258 1.034 20 0 EDADLP C[N@@H+](CCn1cc(Br)cn1)C[C@@H](O)C[NH+]1CCCC1 ZINC000808802957 593289026 /nfs/dbraw/zinc/28/90/26/593289026.db2.gz WLXMOQHYYQDAEQ-CYBMUJFWSA-N 2 2 331.258 1.034 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C(=O)[C@@]12CCCO2 ZINC000840007196 593342587 /nfs/dbraw/zinc/34/25/87/593342587.db2.gz MHZFQHALENRGEZ-JENIJYKNSA-N 2 2 335.492 1.778 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C(=O)[C@@]12CCCO2 ZINC000840007196 593342588 /nfs/dbraw/zinc/34/25/88/593342588.db2.gz MHZFQHALENRGEZ-JENIJYKNSA-N 2 2 335.492 1.778 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)[C@@]12CCCO2 ZINC000840059422 593438737 /nfs/dbraw/zinc/43/87/37/593438737.db2.gz JZHJNHJRGIXIML-ZIFCJYIRSA-N 2 2 345.443 1.908 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)[C@@]12CCCO2 ZINC000840059422 593438738 /nfs/dbraw/zinc/43/87/38/593438738.db2.gz JZHJNHJRGIXIML-ZIFCJYIRSA-N 2 2 345.443 1.908 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811760491 593479784 /nfs/dbraw/zinc/47/97/84/593479784.db2.gz VPDGXDQHZRCBOI-HOTGVXAUSA-N 2 2 332.448 1.723 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811760491 593479785 /nfs/dbraw/zinc/47/97/85/593479785.db2.gz VPDGXDQHZRCBOI-HOTGVXAUSA-N 2 2 332.448 1.723 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000811952990 593487295 /nfs/dbraw/zinc/48/72/95/593487295.db2.gz VLJAGUWHWOOFAB-GJZGRUSLSA-N 2 2 347.463 1.210 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000811952990 593487296 /nfs/dbraw/zinc/48/72/96/593487296.db2.gz VLJAGUWHWOOFAB-GJZGRUSLSA-N 2 2 347.463 1.210 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000813256720 593523892 /nfs/dbraw/zinc/52/38/92/593523892.db2.gz JQDZQTUPWFZTBP-RMKNXTFCSA-N 2 2 328.416 1.690 20 0 EDADLP Cn1ncc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1Cl ZINC000816610342 593534809 /nfs/dbraw/zinc/53/48/09/593534809.db2.gz HNHYACWUEQSTOP-UHFFFAOYSA-N 2 2 339.871 1.060 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)s1 ZINC000816642449 593537196 /nfs/dbraw/zinc/53/71/96/593537196.db2.gz ZRZWTRPLIJBRFJ-CYBMUJFWSA-N 2 2 336.465 1.126 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)s1 ZINC000816642449 593537197 /nfs/dbraw/zinc/53/71/97/593537197.db2.gz ZRZWTRPLIJBRFJ-CYBMUJFWSA-N 2 2 336.465 1.126 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccnc3F)CC2)CC1 ZINC000817656331 593620476 /nfs/dbraw/zinc/62/04/76/593620476.db2.gz FYPBACQVJFCCHW-UHFFFAOYSA-N 2 2 334.439 1.853 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccnc3F)CC2)CC1 ZINC000817656331 593620477 /nfs/dbraw/zinc/62/04/77/593620477.db2.gz FYPBACQVJFCCHW-UHFFFAOYSA-N 2 2 334.439 1.853 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCc2cnn(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817933682 593650088 /nfs/dbraw/zinc/65/00/88/593650088.db2.gz OCCKQYZSFHSDOX-ZWKOTPCHSA-N 2 2 329.448 1.839 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817983344 593653392 /nfs/dbraw/zinc/65/33/92/593653392.db2.gz MPJZYMAPHCOHPB-CMPLNLGQSA-N 2 2 334.388 1.322 20 0 EDADLP CN(C[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000818165930 593676649 /nfs/dbraw/zinc/67/66/49/593676649.db2.gz CVIKRHMKFBTLHV-LSDHHAIUSA-N 2 2 338.452 1.748 20 0 EDADLP CN(C[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)OC(C)(C)C ZINC000818165930 593676650 /nfs/dbraw/zinc/67/66/50/593676650.db2.gz CVIKRHMKFBTLHV-LSDHHAIUSA-N 2 2 338.452 1.748 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000818986305 593732453 /nfs/dbraw/zinc/73/24/53/593732453.db2.gz KORYBXTWZBMRCQ-GUDVDZBRSA-N 2 2 348.487 1.804 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1C ZINC000818986305 593732454 /nfs/dbraw/zinc/73/24/54/593732454.db2.gz KORYBXTWZBMRCQ-GUDVDZBRSA-N 2 2 348.487 1.804 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1)C1CC1 ZINC000819291997 593748853 /nfs/dbraw/zinc/74/88/53/593748853.db2.gz FTTMZOISNNEMPF-SJORKVTESA-N 2 2 345.443 1.159 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1)C1CC1 ZINC000819291997 593748854 /nfs/dbraw/zinc/74/88/54/593748854.db2.gz FTTMZOISNNEMPF-SJORKVTESA-N 2 2 345.443 1.159 20 0 EDADLP Cc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000819306912 593749659 /nfs/dbraw/zinc/74/96/59/593749659.db2.gz YXYYNKGPKXMZNU-XVLXNVKGSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000819306912 593749660 /nfs/dbraw/zinc/74/96/60/593749660.db2.gz YXYYNKGPKXMZNU-XVLXNVKGSA-N 2 2 345.487 1.702 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1-c1nn[nH]n1 ZINC000821809227 593945814 /nfs/dbraw/zinc/94/58/14/593945814.db2.gz MTRSYCBXIBWOIB-HUUCEWRRSA-N 2 2 328.420 1.592 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1-c1nn[nH]n1 ZINC000821809227 593945815 /nfs/dbraw/zinc/94/58/15/593945815.db2.gz MTRSYCBXIBWOIB-HUUCEWRRSA-N 2 2 328.420 1.592 20 0 EDADLP CC(C)COC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000821367908 594029183 /nfs/dbraw/zinc/02/91/83/594029183.db2.gz HPMAXZNDQKVJDW-INIZCTEOSA-N 2 2 329.485 1.488 20 0 EDADLP CC(C)COC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000821367908 594029186 /nfs/dbraw/zinc/02/91/86/594029186.db2.gz HPMAXZNDQKVJDW-INIZCTEOSA-N 2 2 329.485 1.488 20 0 EDADLP CC(C)COC(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000821367908 594029190 /nfs/dbraw/zinc/02/91/90/594029190.db2.gz HPMAXZNDQKVJDW-INIZCTEOSA-N 2 2 329.485 1.488 20 0 EDADLP CC(C)COC(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000821367908 594029192 /nfs/dbraw/zinc/02/91/92/594029192.db2.gz HPMAXZNDQKVJDW-INIZCTEOSA-N 2 2 329.485 1.488 20 0 EDADLP Brc1ncn(CC[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000821387551 594034335 /nfs/dbraw/zinc/03/43/35/594034335.db2.gz UVNBBIZWZGDTJY-UHFFFAOYSA-N 2 2 325.214 1.574 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584724 594043219 /nfs/dbraw/zinc/04/32/19/594043219.db2.gz FVGSGEMMVHVNSO-FPMFFAJLSA-N 2 2 346.410 1.520 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824584724 594043220 /nfs/dbraw/zinc/04/32/20/594043220.db2.gz FVGSGEMMVHVNSO-FPMFFAJLSA-N 2 2 346.410 1.520 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000825146441 594136150 /nfs/dbraw/zinc/13/61/50/594136150.db2.gz CRUKYJOMTXCZTP-SFHVURJKSA-N 2 2 345.487 1.826 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNc2[nH+]c3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000825465350 594189454 /nfs/dbraw/zinc/18/94/54/594189454.db2.gz KMRPZYGPTRPTIY-ZDUSSCGKSA-N 2 2 343.435 1.273 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNc2[nH+]c3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000825465350 594189455 /nfs/dbraw/zinc/18/94/55/594189455.db2.gz KMRPZYGPTRPTIY-ZDUSSCGKSA-N 2 2 343.435 1.273 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1conc1C(F)(F)F ZINC000827533638 594226289 /nfs/dbraw/zinc/22/62/89/594226289.db2.gz WMZGSCUMFPEPQG-UHFFFAOYSA-N 2 2 348.369 1.791 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1conc1C(F)(F)F ZINC000827533638 594226290 /nfs/dbraw/zinc/22/62/90/594226290.db2.gz WMZGSCUMFPEPQG-UHFFFAOYSA-N 2 2 348.369 1.791 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826159731 594355056 /nfs/dbraw/zinc/35/50/56/594355056.db2.gz PZTZPZYRMVIXSP-GXTWGEPZSA-N 2 2 348.426 1.767 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826159731 594355057 /nfs/dbraw/zinc/35/50/57/594355057.db2.gz PZTZPZYRMVIXSP-GXTWGEPZSA-N 2 2 348.426 1.767 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1[nH+]c2c(cc1-c1nn[nH]n1)CCC2 ZINC000826331095 594429001 /nfs/dbraw/zinc/42/90/01/594429001.db2.gz UTSVBTXPZIZMIJ-UHFFFAOYSA-N 2 2 338.419 1.782 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000826364116 594445982 /nfs/dbraw/zinc/44/59/82/594445982.db2.gz LQVBCJLRXDTMNP-GFCCVEGCSA-N 2 2 327.367 1.729 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC000826364116 594445983 /nfs/dbraw/zinc/44/59/83/594445983.db2.gz LQVBCJLRXDTMNP-GFCCVEGCSA-N 2 2 327.367 1.729 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1[nH+]ccn1C ZINC000831094328 594555291 /nfs/dbraw/zinc/55/52/91/594555291.db2.gz KMVGHCLSFKYIAL-IOASZLSFSA-N 2 2 345.447 1.943 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cn1 ZINC000826690302 594556517 /nfs/dbraw/zinc/55/65/17/594556517.db2.gz QOPQVVUAHGYVGG-QGZVFWFLSA-N 2 2 327.432 1.361 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cn1 ZINC000826690302 594556519 /nfs/dbraw/zinc/55/65/19/594556519.db2.gz QOPQVVUAHGYVGG-QGZVFWFLSA-N 2 2 327.432 1.361 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)CC[C@H]21 ZINC000827234822 594655214 /nfs/dbraw/zinc/65/52/14/594655214.db2.gz YUOBCAVBYPNTBK-JHJVBQTASA-N 2 2 330.354 1.929 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)CC[C@H]21 ZINC000827234822 594655215 /nfs/dbraw/zinc/65/52/15/594655215.db2.gz YUOBCAVBYPNTBK-JHJVBQTASA-N 2 2 330.354 1.929 20 0 EDADLP C[C@@H](C(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000827462333 594674467 /nfs/dbraw/zinc/67/44/67/594674467.db2.gz MZQKMSOCRUKQQG-BBWFWOEESA-N 2 2 336.524 1.486 20 0 EDADLP C[C@@H](C(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000827462333 594674468 /nfs/dbraw/zinc/67/44/68/594674468.db2.gz MZQKMSOCRUKQQG-BBWFWOEESA-N 2 2 336.524 1.486 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835296069 594809809 /nfs/dbraw/zinc/80/98/09/594809809.db2.gz CNWCVBXCYUXXCK-MRXNPFEDSA-N 2 2 330.388 1.533 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835296069 594809811 /nfs/dbraw/zinc/80/98/11/594809811.db2.gz CNWCVBXCYUXXCK-MRXNPFEDSA-N 2 2 330.388 1.533 20 0 EDADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccc1OC(=O)CC ZINC000840897374 594824877 /nfs/dbraw/zinc/82/48/77/594824877.db2.gz SLKXMIQBVDDGFE-MRXNPFEDSA-N 2 2 349.475 1.736 20 0 EDADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccc1OC(=O)CC ZINC000840897374 594824878 /nfs/dbraw/zinc/82/48/78/594824878.db2.gz SLKXMIQBVDDGFE-MRXNPFEDSA-N 2 2 349.475 1.736 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000841114351 594852816 /nfs/dbraw/zinc/85/28/16/594852816.db2.gz JFTFLNWWBPMYCA-ZDUSSCGKSA-N 2 2 347.463 1.322 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000841114351 594852817 /nfs/dbraw/zinc/85/28/17/594852817.db2.gz JFTFLNWWBPMYCA-ZDUSSCGKSA-N 2 2 347.463 1.322 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(N(C)C)[nH+]1 ZINC000841244285 594875286 /nfs/dbraw/zinc/87/52/86/594875286.db2.gz NSIBDBFTWHTDDM-HDJSIYSDSA-N 2 2 347.463 1.276 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000841726337 594944186 /nfs/dbraw/zinc/94/41/86/594944186.db2.gz JHQAEQIJCMRVAT-OLZOCXBDSA-N 2 2 328.420 1.468 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1nc2ccccc2s1 ZINC000841820898 594957991 /nfs/dbraw/zinc/95/79/91/594957991.db2.gz RBRAQNUBYAZFNK-NEPJUHHUSA-N 2 2 333.461 1.642 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1nc2ccccc2s1 ZINC000841820898 594957992 /nfs/dbraw/zinc/95/79/92/594957992.db2.gz RBRAQNUBYAZFNK-NEPJUHHUSA-N 2 2 333.461 1.642 20 0 EDADLP C[C@H](O)CCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000842027661 595005468 /nfs/dbraw/zinc/00/54/68/595005468.db2.gz GDSSMCPOLHXUDC-INIZCTEOSA-N 2 2 334.464 1.464 20 0 EDADLP CCc1[nH+]c2ccccc2n1Cc1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000843212115 595038177 /nfs/dbraw/zinc/03/81/77/595038177.db2.gz MQXNLTFJRVGFEJ-LBPRGKRZSA-N 2 2 327.388 1.561 20 0 EDADLP CCC[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CC[NH2+]CC1 ZINC000843360729 595087295 /nfs/dbraw/zinc/08/72/95/595087295.db2.gz NDDYLCJLIHYHSP-UHFFFAOYSA-N 2 2 331.420 1.671 20 0 EDADLP CCC[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CC[NH2+]CC1 ZINC000843360729 595087299 /nfs/dbraw/zinc/08/72/99/595087299.db2.gz NDDYLCJLIHYHSP-UHFFFAOYSA-N 2 2 331.420 1.671 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000837424065 595107663 /nfs/dbraw/zinc/10/76/63/595107663.db2.gz MADZUTGYOPXHNG-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000837424065 595107665 /nfs/dbraw/zinc/10/76/65/595107665.db2.gz MADZUTGYOPXHNG-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP CC[NH2+]CC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000843488692 595127507 /nfs/dbraw/zinc/12/75/07/595127507.db2.gz KNLGFVVBEIEWLO-UHFFFAOYSA-N 2 2 335.839 1.241 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1C ZINC000846277546 595195224 /nfs/dbraw/zinc/19/52/24/595195224.db2.gz HCMAVYBNVQGBFL-IJEWVQPXSA-N 2 2 334.464 1.322 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1C ZINC000846277546 595195225 /nfs/dbraw/zinc/19/52/25/595195225.db2.gz HCMAVYBNVQGBFL-IJEWVQPXSA-N 2 2 334.464 1.322 20 0 EDADLP COC[C@@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000842968642 595249368 /nfs/dbraw/zinc/24/93/68/595249368.db2.gz VNYTVHQLADTCGR-RHSMWYFYSA-N 2 2 340.464 1.140 20 0 EDADLP COC[C@@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000842968642 595249370 /nfs/dbraw/zinc/24/93/70/595249370.db2.gz VNYTVHQLADTCGR-RHSMWYFYSA-N 2 2 340.464 1.140 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000843091406 595285069 /nfs/dbraw/zinc/28/50/69/595285069.db2.gz COZUCGHMGWPDGW-RHSMWYFYSA-N 2 2 338.448 1.174 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000843091406 595285072 /nfs/dbraw/zinc/28/50/72/595285072.db2.gz COZUCGHMGWPDGW-RHSMWYFYSA-N 2 2 338.448 1.174 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843093190 595285725 /nfs/dbraw/zinc/28/57/25/595285725.db2.gz FCOHKYDKBKTBJF-AWEZNQCLSA-N 2 2 349.244 1.525 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000843093190 595285727 /nfs/dbraw/zinc/28/57/27/595285727.db2.gz FCOHKYDKBKTBJF-AWEZNQCLSA-N 2 2 349.244 1.525 20 0 EDADLP C[NH+]1CCC(ONC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000846648038 595292684 /nfs/dbraw/zinc/29/26/84/595292684.db2.gz NZWXXPYSDYXRRG-INIZCTEOSA-N 2 2 332.448 1.436 20 0 EDADLP C[NH+]1CCC(ONC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000846648038 595292686 /nfs/dbraw/zinc/29/26/86/595292686.db2.gz NZWXXPYSDYXRRG-INIZCTEOSA-N 2 2 332.448 1.436 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000846675111 595298591 /nfs/dbraw/zinc/29/85/91/595298591.db2.gz BABAHENOFSHOMH-UHFFFAOYSA-N 2 2 328.420 1.522 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221081 595306267 /nfs/dbraw/zinc/30/62/67/595306267.db2.gz SQVXKNZPUZMHCU-GOSISDBHSA-N 2 2 334.464 1.425 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000844222708 595307328 /nfs/dbraw/zinc/30/73/28/595307328.db2.gz JDMUXNJNQQDNRV-CQSZACIVSA-N 2 2 331.464 1.290 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000844222708 595307330 /nfs/dbraw/zinc/30/73/30/595307330.db2.gz JDMUXNJNQQDNRV-CQSZACIVSA-N 2 2 331.464 1.290 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000846890860 595332652 /nfs/dbraw/zinc/33/26/52/595332652.db2.gz KBBCZEZUTFVTQG-UHFFFAOYSA-N 2 2 332.370 1.743 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)C1 ZINC000846940555 595340219 /nfs/dbraw/zinc/34/02/19/595340219.db2.gz TYEPMCJWMQRMMM-AWEZNQCLSA-N 2 2 326.437 1.047 20 0 EDADLP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)cccc1F ZINC000848533838 595403802 /nfs/dbraw/zinc/40/38/02/595403802.db2.gz NRHWFTLFHLIDQC-XJKSGUPXSA-N 2 2 326.387 1.841 20 0 EDADLP COc1ccc(CCNC(=[NH2+])NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000849012004 595474374 /nfs/dbraw/zinc/47/43/74/595474374.db2.gz FPCGGXURENKUHT-UHFFFAOYSA-N 2 2 334.464 1.462 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CCCN2CCOC2=O)CC1 ZINC000860027731 595548412 /nfs/dbraw/zinc/54/84/12/595548412.db2.gz GAFLZIJURYMRQO-UHFFFAOYSA-N 2 2 325.453 1.406 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849562261 595570282 /nfs/dbraw/zinc/57/02/82/595570282.db2.gz DHVDVHHVQLMPCK-IAGOWNOFSA-N 2 2 344.463 1.201 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849562261 595570283 /nfs/dbraw/zinc/57/02/83/595570283.db2.gz DHVDVHHVQLMPCK-IAGOWNOFSA-N 2 2 344.463 1.201 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc1F ZINC000857710787 595581902 /nfs/dbraw/zinc/58/19/02/595581902.db2.gz JAZIGSCDSWSEBR-MRXNPFEDSA-N 2 2 334.439 1.770 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc1F ZINC000857710787 595581905 /nfs/dbraw/zinc/58/19/05/595581905.db2.gz JAZIGSCDSWSEBR-MRXNPFEDSA-N 2 2 334.439 1.770 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1C ZINC000852863613 595583760 /nfs/dbraw/zinc/58/37/60/595583760.db2.gz QAQDRYUETJZBFU-CQSZACIVSA-N 2 2 331.338 1.865 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nc[nH+]2)CC1 ZINC000853241578 595716881 /nfs/dbraw/zinc/71/68/81/595716881.db2.gz LUZHSPJHMLHDJK-GJZGRUSLSA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)nc[nH+]2)CC1 ZINC000853241578 595716884 /nfs/dbraw/zinc/71/68/84/595716884.db2.gz LUZHSPJHMLHDJK-GJZGRUSLSA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)[nH+]cn2)CC1 ZINC000853241578 595716888 /nfs/dbraw/zinc/71/68/88/595716888.db2.gz LUZHSPJHMLHDJK-GJZGRUSLSA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]cn2)CC1 ZINC000853241578 595716890 /nfs/dbraw/zinc/71/68/90/595716890.db2.gz LUZHSPJHMLHDJK-GJZGRUSLSA-N 2 2 347.463 1.103 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000858466277 595803192 /nfs/dbraw/zinc/80/31/92/595803192.db2.gz BTTGIZCGDWNWHP-ZOBORPQBSA-N 2 2 329.535 1.295 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000858466277 595803194 /nfs/dbraw/zinc/80/31/94/595803194.db2.gz BTTGIZCGDWNWHP-ZOBORPQBSA-N 2 2 329.535 1.295 20 0 EDADLP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000851859887 595950987 /nfs/dbraw/zinc/95/09/87/595950987.db2.gz BTCAUXHUHPZDPQ-OAHLLOKOSA-N 2 2 329.485 1.629 20 0 EDADLP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000851859887 595950990 /nfs/dbraw/zinc/95/09/90/595950990.db2.gz BTCAUXHUHPZDPQ-OAHLLOKOSA-N 2 2 329.485 1.629 20 0 EDADLP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000851859887 595950993 /nfs/dbraw/zinc/95/09/93/595950993.db2.gz BTCAUXHUHPZDPQ-OAHLLOKOSA-N 2 2 329.485 1.629 20 0 EDADLP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000851859887 595950996 /nfs/dbraw/zinc/95/09/96/595950996.db2.gz BTCAUXHUHPZDPQ-OAHLLOKOSA-N 2 2 329.485 1.629 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000851998039 596001213 /nfs/dbraw/zinc/00/12/13/596001213.db2.gz FEVCOGYRCLGHKZ-LBPRGKRZSA-N 2 2 339.403 1.870 20 0 EDADLP O=C(NCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C(F)(F)F ZINC000852008070 596005677 /nfs/dbraw/zinc/00/56/77/596005677.db2.gz DSYIJYFOSLJIIQ-ZDUSSCGKSA-N 2 2 337.386 1.242 20 0 EDADLP O=C(NCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C(F)(F)F ZINC000852008070 596005681 /nfs/dbraw/zinc/00/56/81/596005681.db2.gz DSYIJYFOSLJIIQ-ZDUSSCGKSA-N 2 2 337.386 1.242 20 0 EDADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(N2CCOC2=O)c1 ZINC000854231021 596008623 /nfs/dbraw/zinc/00/86/23/596008623.db2.gz HDFLKDQDQKNRHL-NSHDSACASA-N 2 2 343.387 1.448 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3nncn3C)C2)ccn1 ZINC000856585077 596022498 /nfs/dbraw/zinc/02/24/98/596022498.db2.gz YKEABGRVIKGEES-WMLDXEAASA-N 2 2 344.463 1.876 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3nncn3C)C2)ccn1 ZINC000856585077 596022502 /nfs/dbraw/zinc/02/25/02/596022502.db2.gz YKEABGRVIKGEES-WMLDXEAASA-N 2 2 344.463 1.876 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3nncn3C)C2)ccn1 ZINC000856585077 596022506 /nfs/dbraw/zinc/02/25/06/596022506.db2.gz YKEABGRVIKGEES-WMLDXEAASA-N 2 2 344.463 1.876 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)c3nncn3C)C2)ccn1 ZINC000856585077 596022508 /nfs/dbraw/zinc/02/25/08/596022508.db2.gz YKEABGRVIKGEES-WMLDXEAASA-N 2 2 344.463 1.876 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000861615595 596047410 /nfs/dbraw/zinc/04/74/10/596047410.db2.gz RNJYTYFKGIWZCN-LKTVYLICSA-N 2 2 326.391 1.699 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000861615595 596047414 /nfs/dbraw/zinc/04/74/14/596047414.db2.gz RNJYTYFKGIWZCN-LKTVYLICSA-N 2 2 326.391 1.699 20 0 EDADLP CC(C)C[NH2+]C1(CO)CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000852123133 596051294 /nfs/dbraw/zinc/05/12/94/596051294.db2.gz FSDYUODDPQGCBD-UHFFFAOYSA-N 2 2 343.475 1.840 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000864510772 596251518 /nfs/dbraw/zinc/25/15/18/596251518.db2.gz DWKWPAKFARMXJJ-DANOYGIBSA-N 2 2 347.459 1.811 20 0 EDADLP Cc1c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)ccnc1F ZINC000862240273 596284901 /nfs/dbraw/zinc/28/49/01/596284901.db2.gz IOSBPFWJGVATOR-UHFFFAOYSA-N 2 2 348.466 1.905 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000866705048 596301327 /nfs/dbraw/zinc/30/13/27/596301327.db2.gz ZSJNAPFNEJZXBC-SFHVURJKSA-N 3 2 346.519 1.449 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000866711347 596305203 /nfs/dbraw/zinc/30/52/03/596305203.db2.gz IUKCOSFCRUNWAK-HZSPNIEDSA-N 2 2 334.445 1.387 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000866711347 596305206 /nfs/dbraw/zinc/30/52/06/596305206.db2.gz IUKCOSFCRUNWAK-HZSPNIEDSA-N 2 2 334.445 1.387 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000870944994 596414674 /nfs/dbraw/zinc/41/46/74/596414674.db2.gz MRNRZKZGCWYFEH-QAPCUYQASA-N 2 2 346.406 1.371 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864940734 596423007 /nfs/dbraw/zinc/42/30/07/596423007.db2.gz CBKRTNMBSONFMU-JSGCOSHPSA-N 2 2 328.407 1.921 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864940734 596423010 /nfs/dbraw/zinc/42/30/10/596423010.db2.gz CBKRTNMBSONFMU-JSGCOSHPSA-N 2 2 328.407 1.921 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C3CC[NH2+]CC3)C2)c1 ZINC000870977714 596425159 /nfs/dbraw/zinc/42/51/59/596425159.db2.gz LCWHDZQDLRFWII-GOSISDBHSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C3CC[NH2+]CC3)C2)c1 ZINC000870977714 596425160 /nfs/dbraw/zinc/42/51/60/596425160.db2.gz LCWHDZQDLRFWII-GOSISDBHSA-N 2 2 331.460 1.312 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000870978625 596425785 /nfs/dbraw/zinc/42/57/85/596425785.db2.gz XNVUIYDAPBUMBU-JQHSSLGASA-N 2 2 333.476 1.685 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000870978625 596425788 /nfs/dbraw/zinc/42/57/88/596425788.db2.gz XNVUIYDAPBUMBU-JQHSSLGASA-N 2 2 333.476 1.685 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H](C)[NH2+]C3CC3)C2)cc1 ZINC000870978765 596425862 /nfs/dbraw/zinc/42/58/62/596425862.db2.gz BGKSJHLZFANNTN-YJBOKZPZSA-N 2 2 331.460 1.453 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H](C)[NH2+]C3CC3)C2)cc1 ZINC000870978765 596425863 /nfs/dbraw/zinc/42/58/63/596425863.db2.gz BGKSJHLZFANNTN-YJBOKZPZSA-N 2 2 331.460 1.453 20 0 EDADLP C[C@]1(NC(=O)/C=C\C[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000869162234 596430141 /nfs/dbraw/zinc/43/01/41/596430141.db2.gz IRLVFWKZNUSXGH-VORVDVFJSA-N 2 2 343.471 1.656 20 0 EDADLP C[C@]1(NC(=O)/C=C\C[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000869162234 596430144 /nfs/dbraw/zinc/43/01/44/596430144.db2.gz IRLVFWKZNUSXGH-VORVDVFJSA-N 2 2 343.471 1.656 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864994929 596438171 /nfs/dbraw/zinc/43/81/71/596438171.db2.gz DFSSBHGFVFRPSY-VMPITWQZSA-N 2 2 349.450 1.604 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CCC([NH+]2CCOCC2)CC1 ZINC000869281661 596473018 /nfs/dbraw/zinc/47/30/18/596473018.db2.gz JRKUAOYWVINQMD-CQSZACIVSA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CCC([NH+]2CCOCC2)CC1 ZINC000869281661 596473020 /nfs/dbraw/zinc/47/30/20/596473020.db2.gz JRKUAOYWVINQMD-CQSZACIVSA-N 2 2 345.434 1.287 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000865104981 596476857 /nfs/dbraw/zinc/47/68/57/596476857.db2.gz UCYZYMXWMTVICL-VGOKWCNXSA-N 2 2 347.459 1.730 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCC1(C)C ZINC000871156812 596482684 /nfs/dbraw/zinc/48/26/84/596482684.db2.gz ODPODDSOGCDDOL-UHFFFAOYSA-N 2 2 346.475 1.470 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCC1(C)C ZINC000871156812 596482686 /nfs/dbraw/zinc/48/26/86/596482686.db2.gz ODPODDSOGCDDOL-UHFFFAOYSA-N 2 2 346.475 1.470 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CCO1 ZINC000869313140 596484481 /nfs/dbraw/zinc/48/44/81/596484481.db2.gz DDZPUEWOZAYVKV-CABCVRRESA-N 2 2 347.450 1.533 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CCO1 ZINC000869313140 596484483 /nfs/dbraw/zinc/48/44/83/596484483.db2.gz DDZPUEWOZAYVKV-CABCVRRESA-N 2 2 347.450 1.533 20 0 EDADLP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871218292 596500575 /nfs/dbraw/zinc/50/05/75/596500575.db2.gz MEQDWWXSTCTDTO-UHFFFAOYSA-N 2 2 343.475 1.038 20 0 EDADLP O=C(CCCC[NH+]1CCCC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871220233 596501807 /nfs/dbraw/zinc/50/18/07/596501807.db2.gz MROQXCABGSIKEO-UHFFFAOYSA-N 2 2 345.491 1.429 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000871358285 596542330 /nfs/dbraw/zinc/54/23/30/596542330.db2.gz OTMCDTZMSLUJEM-UHFFFAOYSA-N 2 2 328.420 1.655 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000865425270 596570825 /nfs/dbraw/zinc/57/08/25/596570825.db2.gz ITLGWBVCGGPYCR-GOEBONIOSA-N 2 2 332.452 1.716 20 0 EDADLP O=C(c1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1)N1CCCC1 ZINC000865584282 596618552 /nfs/dbraw/zinc/61/85/52/596618552.db2.gz ODIAGUCINFGEPN-LJQANCHMSA-N 2 2 345.487 1.859 20 0 EDADLP O=C(c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1)N1CCCC1 ZINC000865584282 596618554 /nfs/dbraw/zinc/61/85/54/596618554.db2.gz ODIAGUCINFGEPN-LJQANCHMSA-N 2 2 345.487 1.859 20 0 EDADLP C[NH+](C)C1(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CCC1 ZINC000871542361 596620886 /nfs/dbraw/zinc/62/08/86/596620886.db2.gz DRUAFGWFSDRADC-UHFFFAOYSA-N 2 2 339.480 1.393 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871543008 596621480 /nfs/dbraw/zinc/62/14/80/596621480.db2.gz MBFUDEOXARHRHO-AWEZNQCLSA-N 2 2 325.453 1.003 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871543008 596621483 /nfs/dbraw/zinc/62/14/83/596621483.db2.gz MBFUDEOXARHRHO-AWEZNQCLSA-N 2 2 325.453 1.003 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH2+][C@H]3C)C2)c1 ZINC000867997992 596648603 /nfs/dbraw/zinc/64/86/03/596648603.db2.gz NPZAXNQCVYRUPT-CGTJXYLNSA-N 2 2 331.460 1.310 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH2+][C@H]3C)C2)c1 ZINC000867997992 596648606 /nfs/dbraw/zinc/64/86/06/596648606.db2.gz NPZAXNQCVYRUPT-CGTJXYLNSA-N 2 2 331.460 1.310 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)C[N@@H+]1Cc1ccccc1 ZINC000865770617 596676695 /nfs/dbraw/zinc/67/66/95/596676695.db2.gz UBEIJMSADRGKEY-HHXXYDBFSA-N 2 2 345.443 1.460 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)C[N@H+]1Cc1ccccc1 ZINC000865770617 596676697 /nfs/dbraw/zinc/67/66/97/596676697.db2.gz UBEIJMSADRGKEY-HHXXYDBFSA-N 2 2 345.443 1.460 20 0 EDADLP Cc1conc1CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000871740245 596682736 /nfs/dbraw/zinc/68/27/36/596682736.db2.gz JHHOCOSHIYSLLS-INIZCTEOSA-N 2 2 330.388 1.882 20 0 EDADLP Cc1conc1CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000871740245 596682739 /nfs/dbraw/zinc/68/27/39/596682739.db2.gz JHHOCOSHIYSLLS-INIZCTEOSA-N 2 2 330.388 1.882 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868134525 596697704 /nfs/dbraw/zinc/69/77/04/596697704.db2.gz MQDURPRVZZDLID-HOTGVXAUSA-N 2 2 345.447 1.585 20 0 EDADLP CN1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc2ccc[nH+]c21 ZINC000868166194 596707725 /nfs/dbraw/zinc/70/77/25/596707725.db2.gz JVNBLEXLCSLTFF-NSHDSACASA-N 2 2 331.342 1.323 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2C1 ZINC000868203799 596722352 /nfs/dbraw/zinc/72/23/52/596722352.db2.gz HYGQYKRVQKJKPX-GJZGRUSLSA-N 2 2 346.479 1.572 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2C1 ZINC000868203799 596722355 /nfs/dbraw/zinc/72/23/55/596722355.db2.gz HYGQYKRVQKJKPX-GJZGRUSLSA-N 2 2 346.479 1.572 20 0 EDADLP C[C@H](C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000870125271 596761567 /nfs/dbraw/zinc/76/15/67/596761567.db2.gz XNAPJKCDUHIAHJ-ZWKOTPCHSA-N 2 2 344.503 1.528 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2c3ccccc3C[NH+]2C)C1 ZINC000868284591 596764778 /nfs/dbraw/zinc/76/47/78/596764778.db2.gz COGQYWITMROGDS-WBVHZDCISA-N 2 2 332.448 1.193 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2c3ccccc3C[NH+]2C)C1 ZINC000868284591 596764781 /nfs/dbraw/zinc/76/47/81/596764781.db2.gz COGQYWITMROGDS-WBVHZDCISA-N 2 2 332.448 1.193 20 0 EDADLP COCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C1 ZINC000868284591 596764783 /nfs/dbraw/zinc/76/47/83/596764783.db2.gz COGQYWITMROGDS-WBVHZDCISA-N 2 2 332.448 1.193 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccnc(F)c3)C2)CC1 ZINC000868291046 596769750 /nfs/dbraw/zinc/76/97/50/596769750.db2.gz ZGTZYRIJZSQPNT-AWEZNQCLSA-N 2 2 335.427 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccnc(F)c3)C2)CC1 ZINC000868291046 596769754 /nfs/dbraw/zinc/76/97/54/596769754.db2.gz ZGTZYRIJZSQPNT-AWEZNQCLSA-N 2 2 335.427 1.188 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[NH2+]2)c1 ZINC000870149869 596774107 /nfs/dbraw/zinc/77/41/07/596774107.db2.gz GRBFVKQPXAITQB-WBVHZDCISA-N 2 2 340.427 1.627 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)Cn3c[nH+]cc3C)CC2)c1 ZINC000870158652 596780504 /nfs/dbraw/zinc/78/05/04/596780504.db2.gz NPFLPVWJVMPLHH-UHFFFAOYSA-N 2 2 328.416 1.545 20 0 EDADLP C([C@@H]1CC2(CCC2)CO1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000872143111 596809337 /nfs/dbraw/zinc/80/93/37/596809337.db2.gz MNVCUSRZYKXKCC-HNNXBMFYSA-N 2 2 331.464 1.520 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCc3sccc3C2)C[C@@H]1C(F)(F)F ZINC000872147844 596810914 /nfs/dbraw/zinc/81/09/14/596810914.db2.gz FMOFOOUDNIKZQM-NEPJUHHUSA-N 2 2 347.406 1.702 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCc3sccc3C2)C[C@@H]1C(F)(F)F ZINC000872147844 596810917 /nfs/dbraw/zinc/81/09/17/596810917.db2.gz FMOFOOUDNIKZQM-NEPJUHHUSA-N 2 2 347.406 1.702 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1C(F)(F)F ZINC000872149273 596812888 /nfs/dbraw/zinc/81/28/88/596812888.db2.gz NHWYNXNKDAKEAJ-JQWIXIFHSA-N 2 2 340.349 1.947 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1C(F)(F)F ZINC000872149273 596812890 /nfs/dbraw/zinc/81/28/90/596812890.db2.gz NHWYNXNKDAKEAJ-JQWIXIFHSA-N 2 2 340.349 1.947 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)NC[C@H]1CCN(c3ccccc3)C1)C2 ZINC000872154144 596815086 /nfs/dbraw/zinc/81/50/86/596815086.db2.gz OULQKLCMJKYZPE-FUHIMQAGSA-N 2 2 342.487 1.170 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)NC[C@H]1CCN(c3ccccc3)C1)C2 ZINC000872154144 596815088 /nfs/dbraw/zinc/81/50/88/596815088.db2.gz OULQKLCMJKYZPE-FUHIMQAGSA-N 2 2 342.487 1.170 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868391840 596818040 /nfs/dbraw/zinc/81/80/40/596818040.db2.gz OQRKHXQJJRIHAS-HYXAFXHYSA-N 2 2 346.475 1.250 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868391840 596818042 /nfs/dbraw/zinc/81/80/42/596818042.db2.gz OQRKHXQJJRIHAS-HYXAFXHYSA-N 2 2 346.475 1.250 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3cc[nH+]cc3C(N)=O)C2)c1 ZINC000866190923 596822395 /nfs/dbraw/zinc/82/23/95/596822395.db2.gz OEBHVXYBSORRKO-INIZCTEOSA-N 2 2 340.427 1.224 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNc3cc[nH+]cc3C(N)=O)C2)c1 ZINC000866190923 596822399 /nfs/dbraw/zinc/82/23/99/596822399.db2.gz OEBHVXYBSORRKO-INIZCTEOSA-N 2 2 340.427 1.224 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000872193499 596829348 /nfs/dbraw/zinc/82/93/48/596829348.db2.gz YKQAVOGAWRSEKR-HNNXBMFYSA-N 2 2 349.479 1.104 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)sc1C ZINC000872253227 596854973 /nfs/dbraw/zinc/85/49/73/596854973.db2.gz KYMHULYGTGLDRX-UHFFFAOYSA-N 2 2 336.505 1.746 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)C2)cc1 ZINC000875583254 596905393 /nfs/dbraw/zinc/90/53/93/596905393.db2.gz ZQXFUQNEZCIOOD-FUHWJXTLSA-N 2 2 348.491 1.445 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)C2)cc1 ZINC000875583254 596905396 /nfs/dbraw/zinc/90/53/96/596905396.db2.gz ZQXFUQNEZCIOOD-FUHWJXTLSA-N 2 2 348.491 1.445 20 0 EDADLP c1cnc2cccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)c2c1 ZINC000873052630 597172482 /nfs/dbraw/zinc/17/24/82/597172482.db2.gz SAWQLDDTUUSIJV-GOSISDBHSA-N 2 2 340.471 1.731 20 0 EDADLP Cc1nccnc1[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000876416847 597199897 /nfs/dbraw/zinc/19/98/97/597199897.db2.gz WFKMEGARCYBAGC-HNNXBMFYSA-N 2 2 348.495 1.513 20 0 EDADLP Cc1nccnc1[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000876416847 597199898 /nfs/dbraw/zinc/19/98/98/597199898.db2.gz WFKMEGARCYBAGC-HNNXBMFYSA-N 2 2 348.495 1.513 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874890810 597211330 /nfs/dbraw/zinc/21/13/30/597211330.db2.gz ZQMBKJDAVSZOMM-YOEHRIQHSA-N 2 2 328.391 1.758 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230388 597234927 /nfs/dbraw/zinc/23/49/27/597234927.db2.gz QQKWBKWXKWJXMT-AEFFLSMTSA-N 2 2 334.464 1.826 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C[N@@H+]1C1CC1 ZINC000873247068 597238655 /nfs/dbraw/zinc/23/86/55/597238655.db2.gz HSYXOQXBTZQLMT-ZFWWWQNUSA-N 3 2 326.448 1.441 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C[N@H+]1C1CC1 ZINC000873247068 597238658 /nfs/dbraw/zinc/23/86/58/597238658.db2.gz HSYXOQXBTZQLMT-ZFWWWQNUSA-N 3 2 326.448 1.441 20 0 EDADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876710453 597297708 /nfs/dbraw/zinc/29/77/08/597297708.db2.gz LBDRBSBVGPWGOQ-KTUYXQPPSA-N 2 2 343.471 1.559 20 0 EDADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876710453 597297712 /nfs/dbraw/zinc/29/77/12/597297712.db2.gz LBDRBSBVGPWGOQ-KTUYXQPPSA-N 2 2 343.471 1.559 20 0 EDADLP C(C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000877982450 597567879 /nfs/dbraw/zinc/56/78/79/597567879.db2.gz UBDVFSSIVMMADQ-VJANTYMQSA-N 4 2 332.536 1.095 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878285986 597592618 /nfs/dbraw/zinc/59/26/18/597592618.db2.gz IJLOBJWNMSGBDQ-MRXNPFEDSA-N 2 2 334.464 1.518 20 0 EDADLP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC000878400723 597599773 /nfs/dbraw/zinc/59/97/73/597599773.db2.gz IHHMABNJPXXCDN-UHFFFAOYSA-N 2 2 346.479 1.752 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C2CCC3(COC3)CC2)CC1 ZINC000883378871 597728597 /nfs/dbraw/zinc/72/85/97/597728597.db2.gz CIXIFXXTGRGHDX-UHFFFAOYSA-N 2 2 337.508 1.332 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880131401 597849403 /nfs/dbraw/zinc/84/94/03/597849403.db2.gz KOKITEXZRKEZLR-SQNIBIBYSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880131401 597849406 /nfs/dbraw/zinc/84/94/06/597849406.db2.gz KOKITEXZRKEZLR-SQNIBIBYSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880131401 597849407 /nfs/dbraw/zinc/84/94/07/597849407.db2.gz KOKITEXZRKEZLR-SQNIBIBYSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880131401 597849409 /nfs/dbraw/zinc/84/94/09/597849409.db2.gz KOKITEXZRKEZLR-SQNIBIBYSA-N 2 2 334.460 1.741 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880133003 597850491 /nfs/dbraw/zinc/85/04/91/597850491.db2.gz RWCKVGALVGLWII-JKSUJKDBSA-N 2 2 330.432 1.893 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880133003 597850494 /nfs/dbraw/zinc/85/04/94/597850494.db2.gz RWCKVGALVGLWII-JKSUJKDBSA-N 2 2 330.432 1.893 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880133003 597850496 /nfs/dbraw/zinc/85/04/96/597850496.db2.gz RWCKVGALVGLWII-JKSUJKDBSA-N 2 2 330.432 1.893 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880133003 597850498 /nfs/dbraw/zinc/85/04/98/597850498.db2.gz RWCKVGALVGLWII-JKSUJKDBSA-N 2 2 330.432 1.893 20 0 EDADLP C[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)CCN1c1cc[nH+]cc1 ZINC000883686446 597862524 /nfs/dbraw/zinc/86/25/24/597862524.db2.gz JFPDZLQKWGMMJN-CQSZACIVSA-N 2 2 328.420 1.278 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](CF)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000880290964 597893286 /nfs/dbraw/zinc/89/32/86/597893286.db2.gz AFEZLYHIBCBSBW-INIZCTEOSA-N 2 2 349.450 1.426 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](CF)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000880290964 597893289 /nfs/dbraw/zinc/89/32/89/597893289.db2.gz AFEZLYHIBCBSBW-INIZCTEOSA-N 2 2 349.450 1.426 20 0 EDADLP OC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1CO ZINC000879366340 597901035 /nfs/dbraw/zinc/90/10/35/597901035.db2.gz DTVJUMJRNOXNSK-RBUKOAKNSA-N 2 2 334.460 1.084 20 0 EDADLP OC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1CO ZINC000879366340 597901037 /nfs/dbraw/zinc/90/10/37/597901037.db2.gz DTVJUMJRNOXNSK-RBUKOAKNSA-N 2 2 334.460 1.084 20 0 EDADLP c1c[nH+]c(C2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]1 ZINC000738405393 599356823 /nfs/dbraw/zinc/35/68/23/599356823.db2.gz NYEFHICNBAVDAQ-UHFFFAOYSA-N 2 2 339.403 1.848 20 0 EDADLP C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[NH+]1CCOCC1 ZINC000914067279 695055783 /nfs/dbraw/zinc/05/57/83/695055783.db2.gz OFCARAZYDDDATD-DOTOQJQBSA-N 2 2 349.479 1.094 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1F ZINC000939857439 699996490 /nfs/dbraw/zinc/99/64/90/699996490.db2.gz SVJIYAVTEIUIQS-CZUORRHYSA-N 2 2 346.406 1.668 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939857698 699996878 /nfs/dbraw/zinc/99/68/78/699996878.db2.gz UHLBVKLPKUTKHP-RHSMWYFYSA-N 2 2 328.416 1.012 20 0 EDADLP Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC000992828174 695385785 /nfs/dbraw/zinc/38/57/85/695385785.db2.gz BQAGOUNQBVGIQX-XOKHGSTOSA-N 2 2 342.447 1.103 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nncs3)[C@@H]2C1 ZINC000992829204 695389123 /nfs/dbraw/zinc/38/91/23/695389123.db2.gz DMZSGBAPPAABLC-YUTCNCBUSA-N 2 2 346.460 1.221 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)n1 ZINC000992837308 695396375 /nfs/dbraw/zinc/39/63/75/695396375.db2.gz QLLNVVLXAZEQHS-BPLDGKMQSA-N 2 2 344.419 1.061 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992866704 695413309 /nfs/dbraw/zinc/41/33/09/695413309.db2.gz WXMPDGTXXMLGGW-HZSPNIEDSA-N 2 2 344.419 1.061 20 0 EDADLP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992867767 695414375 /nfs/dbraw/zinc/41/43/75/695414375.db2.gz YISGGDZKBDJYLF-FVQBIDKESA-N 2 2 342.447 1.103 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)on1 ZINC000992924646 695456487 /nfs/dbraw/zinc/45/64/87/695456487.db2.gz MMDYFKZPRAIGDU-USXIJHARSA-N 2 2 343.431 1.596 20 0 EDADLP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001031104388 695527610 /nfs/dbraw/zinc/52/76/10/695527610.db2.gz QTOXQJVGNSFQAF-RDTXWAMCSA-N 2 2 331.460 1.730 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H]2C)on1 ZINC000993604114 696254112 /nfs/dbraw/zinc/25/41/12/696254112.db2.gz CEQSHNDPENLDSP-GOEBONIOSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H]2C)on1 ZINC000993604114 696254113 /nfs/dbraw/zinc/25/41/13/696254113.db2.gz CEQSHNDPENLDSP-GOEBONIOSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1nc(NC2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cc[nH+]1 ZINC001060623390 696431917 /nfs/dbraw/zinc/43/19/17/696431917.db2.gz CMLVRQGXKYCOBB-JEYLPNPQSA-N 2 2 331.464 1.966 20 0 EDADLP Cc1nc(NC2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cc[nH+]1 ZINC001060623390 696431918 /nfs/dbraw/zinc/43/19/18/696431918.db2.gz CMLVRQGXKYCOBB-JEYLPNPQSA-N 2 2 331.464 1.966 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000444182091 696590635 /nfs/dbraw/zinc/59/06/35/696590635.db2.gz BZUJQWRPCPTYCA-OWCLPIDISA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000444182091 696590636 /nfs/dbraw/zinc/59/06/36/696590636.db2.gz BZUJQWRPCPTYCA-OWCLPIDISA-N 2 2 331.464 1.936 20 0 EDADLP COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)n1 ZINC000994412493 696838388 /nfs/dbraw/zinc/83/83/88/696838388.db2.gz VSYMBVGHJIKPFD-RDJZCZTQSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cccc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)n1 ZINC000994412493 696838390 /nfs/dbraw/zinc/83/83/90/696838390.db2.gz VSYMBVGHJIKPFD-RDJZCZTQSA-N 2 2 346.475 1.655 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CCCc2ccc(C)cc2)C1 ZINC001031391697 697019504 /nfs/dbraw/zinc/01/95/04/697019504.db2.gz KVSNFCLQUTWLIY-UHFFFAOYSA-N 2 2 326.444 1.933 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001031417846 697068190 /nfs/dbraw/zinc/06/81/90/697068190.db2.gz DCQQQLUAPBYKSK-KRWDZBQOSA-N 2 2 337.508 1.724 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001031417846 697068193 /nfs/dbraw/zinc/06/81/93/697068193.db2.gz DCQQQLUAPBYKSK-KRWDZBQOSA-N 2 2 337.508 1.724 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCn4cccc4C3)C2)CC1 ZINC000918904624 697222143 /nfs/dbraw/zinc/22/21/43/697222143.db2.gz AFKVJBKLOQZVIE-HNNXBMFYSA-N 2 2 331.464 1.182 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCn4cccc4C3)C2)CC1 ZINC000918904624 697222145 /nfs/dbraw/zinc/22/21/45/697222145.db2.gz AFKVJBKLOQZVIE-HNNXBMFYSA-N 2 2 331.464 1.182 20 0 EDADLP Cc1ccc(NCCNC(=O)NCCCC[NH+]2CCN(C)CC2)[nH+]c1 ZINC000919509604 697292827 /nfs/dbraw/zinc/29/28/27/697292827.db2.gz OPSNIAOBZIXXBQ-UHFFFAOYSA-N 2 2 348.495 1.129 20 0 EDADLP CC[C@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031595864 697296076 /nfs/dbraw/zinc/29/60/76/697296076.db2.gz BORBTRLIUUHJRO-QZTJIDSGSA-N 2 2 349.450 1.655 20 0 EDADLP CC[C@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031595864 697296077 /nfs/dbraw/zinc/29/60/77/697296077.db2.gz BORBTRLIUUHJRO-QZTJIDSGSA-N 2 2 349.450 1.655 20 0 EDADLP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)s1 ZINC000940083852 700178539 /nfs/dbraw/zinc/17/85/39/700178539.db2.gz YIBLGCQAODHWPI-UHFFFAOYSA-N 2 2 348.476 1.673 20 0 EDADLP C[C@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943255913 698021435 /nfs/dbraw/zinc/02/14/35/698021435.db2.gz QMONYRIFJNDHGM-FUHWJXTLSA-N 2 2 349.519 1.868 20 0 EDADLP C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943255913 698021438 /nfs/dbraw/zinc/02/14/38/698021438.db2.gz QMONYRIFJNDHGM-FUHWJXTLSA-N 2 2 349.519 1.868 20 0 EDADLP CCc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)no1 ZINC000995037760 700213809 /nfs/dbraw/zinc/21/38/09/700213809.db2.gz OIYTVVSWHYRKLG-ZIAGYGMSSA-N 2 2 346.435 1.212 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H](O)C2CCCCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001031744536 698343124 /nfs/dbraw/zinc/34/31/24/698343124.db2.gz IFWHFKZIXVNJDB-JFIYKMOQSA-N 2 2 346.475 1.502 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H](O)C2CCCCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001031744536 698343130 /nfs/dbraw/zinc/34/31/30/698343130.db2.gz IFWHFKZIXVNJDB-JFIYKMOQSA-N 2 2 346.475 1.502 20 0 EDADLP CCC[NH+]1CC(N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C1 ZINC000941489675 701556939 /nfs/dbraw/zinc/55/69/39/701556939.db2.gz NVZNJKFOIQHVHC-UHFFFAOYSA-N 2 2 345.491 1.000 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031776125 699151372 /nfs/dbraw/zinc/15/13/72/699151372.db2.gz FZAKHGDDFJQYBG-QGZVFWFLSA-N 2 2 332.448 1.584 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031776125 699151373 /nfs/dbraw/zinc/15/13/73/699151373.db2.gz FZAKHGDDFJQYBG-QGZVFWFLSA-N 2 2 332.448 1.584 20 0 EDADLP COc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031777029 699160802 /nfs/dbraw/zinc/16/08/02/699160802.db2.gz UIDJYGQRDJRKRZ-INIZCTEOSA-N 2 2 332.448 1.123 20 0 EDADLP COc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031777029 699160804 /nfs/dbraw/zinc/16/08/04/699160804.db2.gz UIDJYGQRDJRKRZ-INIZCTEOSA-N 2 2 332.448 1.123 20 0 EDADLP CCCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC001031777091 699161317 /nfs/dbraw/zinc/16/13/17/699161317.db2.gz WBHUYZDOUSABEL-MRXNPFEDSA-N 2 2 348.491 1.968 20 0 EDADLP CCCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC001031777091 699161319 /nfs/dbraw/zinc/16/13/19/699161319.db2.gz WBHUYZDOUSABEL-MRXNPFEDSA-N 2 2 348.491 1.968 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1)[NH+](C)C ZINC000941527144 701571206 /nfs/dbraw/zinc/57/12/06/701571206.db2.gz VCEXSWKMOOSAON-ZIAGYGMSSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000939207790 699353587 /nfs/dbraw/zinc/35/35/87/699353587.db2.gz BHPCJCIWZXJWMG-IAQYHMDHSA-N 2 2 345.472 1.923 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939213875 699363667 /nfs/dbraw/zinc/36/36/67/699363667.db2.gz GPWKHKWJOWDXGI-UGSOOPFHSA-N 2 2 340.427 1.619 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001031805626 699382083 /nfs/dbraw/zinc/38/20/83/699382083.db2.gz ABUVMPPMKRKJJU-INIZCTEOSA-N 2 2 336.505 1.812 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001031805626 699382086 /nfs/dbraw/zinc/38/20/86/699382086.db2.gz ABUVMPPMKRKJJU-INIZCTEOSA-N 2 2 336.505 1.812 20 0 EDADLP CCCc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cs1 ZINC000939215655 699387517 /nfs/dbraw/zinc/38/75/17/699387517.db2.gz QQRWOBIDRMKEIG-WFASDCNBSA-N 2 2 347.488 1.998 20 0 EDADLP CCCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)o1 ZINC000939217042 699389555 /nfs/dbraw/zinc/38/95/55/699389555.db2.gz ZSEJJCCDXLFELX-SWLSCSKDSA-N 2 2 345.447 1.838 20 0 EDADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1[NH2+]CC1CC1 ZINC000939234336 699401478 /nfs/dbraw/zinc/40/14/78/699401478.db2.gz DVUXOXLODWLQPA-NVXWUHKLSA-N 2 2 335.492 1.478 20 0 EDADLP C[C@H](CC(=O)N1CCN(C2C[NH+](CCCF)C2)CC1)n1cc[nH+]c1 ZINC000941587129 701590955 /nfs/dbraw/zinc/59/09/55/701590955.db2.gz LYJACOLHMPAVRW-OAHLLOKOSA-N 2 2 337.443 1.022 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941587969 701591279 /nfs/dbraw/zinc/59/12/79/701591279.db2.gz YQBYEIDOTPQVPH-INIZCTEOSA-N 2 2 333.480 1.463 20 0 EDADLP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnsn1 ZINC000939258197 699435818 /nfs/dbraw/zinc/43/58/18/699435818.db2.gz QDJPDSDVYKFDSK-IUODEOHRSA-N 2 2 337.493 1.207 20 0 EDADLP COc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1 ZINC000939396671 699546568 /nfs/dbraw/zinc/54/65/68/699546568.db2.gz DATFJRVFPSADJM-WMLDXEAASA-N 2 2 342.443 1.640 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1csnn1 ZINC000939399013 699548221 /nfs/dbraw/zinc/54/82/21/699548221.db2.gz USJPGXFBMQYSNY-ZFWWWQNUSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)s1 ZINC000939409572 699564031 /nfs/dbraw/zinc/56/40/31/699564031.db2.gz VZISOYDKFGSGRV-MFKMUULPSA-N 2 2 333.461 1.662 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939534089 699672490 /nfs/dbraw/zinc/67/24/90/699672490.db2.gz HOJRBCZULUHOFJ-PXAZEXFGSA-N 2 2 348.397 1.878 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccccc1F ZINC000939536215 699677136 /nfs/dbraw/zinc/67/71/36/699677136.db2.gz UJCPDKPVJAOISC-GUYCJALGSA-N 2 2 330.407 1.738 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000939540311 699680964 /nfs/dbraw/zinc/68/09/64/699680964.db2.gz GDJFWXOVEGMYKY-SMDDNHRTSA-N 2 2 331.420 1.620 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939541580 699682662 /nfs/dbraw/zinc/68/26/62/699682662.db2.gz OPCZBVJWELEJEH-HIFRSBDPSA-N 2 2 334.464 1.550 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)cs1 ZINC000939624016 699761555 /nfs/dbraw/zinc/76/15/55/699761555.db2.gz WCJXHQBAIRPOPB-ABAIWWIYSA-N 2 2 347.488 1.916 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)cn1 ZINC000939624337 699762262 /nfs/dbraw/zinc/76/22/62/699762262.db2.gz WVBPSBCNURGVRG-BLLLJJGKSA-N 2 2 343.431 1.301 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939643519 699783850 /nfs/dbraw/zinc/78/38/50/699783850.db2.gz UPMDLGFBZYPEFF-JSGCOSHPSA-N 2 2 333.461 1.446 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2nnc(C(C)C)o2)[C@@H](C)C1 ZINC000939747441 699894024 /nfs/dbraw/zinc/89/40/24/699894024.db2.gz LCRZUMQXYZSQRR-JSGCOSHPSA-N 2 2 346.435 1.335 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ncc(C3CC3)o2)[C@@H](C)C1 ZINC000939747856 699894313 /nfs/dbraw/zinc/89/43/13/699894313.db2.gz MWGUKLSAEBIGQF-WFASDCNBSA-N 2 2 343.431 1.694 20 0 EDADLP CC1([NH2+]C[C@H]2CCCOC2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940145162 700275222 /nfs/dbraw/zinc/27/52/22/700275222.db2.gz WBFASHVQAPWGMH-OAHLLOKOSA-N 2 2 334.464 1.740 20 0 EDADLP CC1([NH2+]C[C@H]2CCCOC2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940145162 700275224 /nfs/dbraw/zinc/27/52/24/700275224.db2.gz WBFASHVQAPWGMH-OAHLLOKOSA-N 2 2 334.464 1.740 20 0 EDADLP CC1(C)CC(C[NH+]2CC(N3CCN(C(=O)Cn4cc[nH+]c4)CC3)C2)C1 ZINC000941684961 701630241 /nfs/dbraw/zinc/63/02/41/701630241.db2.gz IXZZFNBEQNLLND-UHFFFAOYSA-N 2 2 345.491 1.148 20 0 EDADLP Cc1cncc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000940356760 700518495 /nfs/dbraw/zinc/51/84/95/700518495.db2.gz XQHRMYQZEDZMOF-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031967702 701651925 /nfs/dbraw/zinc/65/19/25/701651925.db2.gz AWIZUQJYIQMQOJ-OAHLLOKOSA-N 2 2 332.448 1.447 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940426119 700619767 /nfs/dbraw/zinc/61/97/67/700619767.db2.gz GFEIJASNACOZSV-HNNXBMFYSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000940441364 700642697 /nfs/dbraw/zinc/64/26/97/700642697.db2.gz FQFRDMSVMZNSNO-HNAYVOBHSA-N 2 2 346.475 1.658 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000940441455 700643011 /nfs/dbraw/zinc/64/30/11/700643011.db2.gz IZMCVDWUOIYYJA-UHFFFAOYSA-N 2 2 331.420 1.728 20 0 EDADLP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000940441725 700643502 /nfs/dbraw/zinc/64/35/02/700643502.db2.gz QPTPEPUVDWNQOZ-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940616556 700798594 /nfs/dbraw/zinc/79/85/94/700798594.db2.gz CCOCRBIYRYXEAQ-SJORKVTESA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940616556 700798595 /nfs/dbraw/zinc/79/85/95/700798595.db2.gz CCOCRBIYRYXEAQ-SJORKVTESA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940616556 700798596 /nfs/dbraw/zinc/79/85/96/700798596.db2.gz CCOCRBIYRYXEAQ-SJORKVTESA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940616556 700798598 /nfs/dbraw/zinc/79/85/98/700798598.db2.gz CCOCRBIYRYXEAQ-SJORKVTESA-N 2 2 345.491 1.596 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000940847205 700942473 /nfs/dbraw/zinc/94/24/73/700942473.db2.gz RJIDOUQTFGHHFE-PBHICJAKSA-N 2 2 348.491 1.686 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000940847205 700942475 /nfs/dbraw/zinc/94/24/75/700942475.db2.gz RJIDOUQTFGHHFE-PBHICJAKSA-N 2 2 348.491 1.686 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000940847205 700942477 /nfs/dbraw/zinc/94/24/77/700942477.db2.gz RJIDOUQTFGHHFE-PBHICJAKSA-N 2 2 348.491 1.686 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000940847205 700942479 /nfs/dbraw/zinc/94/24/79/700942479.db2.gz RJIDOUQTFGHHFE-PBHICJAKSA-N 2 2 348.491 1.686 20 0 EDADLP CCc1onc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995110674 701000704 /nfs/dbraw/zinc/00/07/04/701000704.db2.gz YULGZGUTZLMMMZ-KBPBESRZSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)n1 ZINC000941002778 701036746 /nfs/dbraw/zinc/03/67/46/701036746.db2.gz NLLOZUHKGXTYIX-OAHLLOKOSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)n1 ZINC000941002778 701036748 /nfs/dbraw/zinc/03/67/48/701036748.db2.gz NLLOZUHKGXTYIX-OAHLLOKOSA-N 2 2 349.479 1.437 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)ccn1 ZINC000945807723 701198563 /nfs/dbraw/zinc/19/85/63/701198563.db2.gz LEARVUQQKZKNNY-GOEBONIOSA-N 2 2 343.431 1.314 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)ccn1 ZINC000945807723 701198566 /nfs/dbraw/zinc/19/85/66/701198566.db2.gz LEARVUQQKZKNNY-GOEBONIOSA-N 2 2 343.431 1.314 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)s1 ZINC000945808324 701199713 /nfs/dbraw/zinc/19/97/13/701199713.db2.gz ODMCVTUFRCCQJN-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)s1 ZINC000945808324 701199714 /nfs/dbraw/zinc/19/97/14/701199714.db2.gz ODMCVTUFRCCQJN-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP CCn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cn1 ZINC000945809014 701200875 /nfs/dbraw/zinc/20/08/75/701200875.db2.gz QQWUPFIAHYIZLO-DOTOQJQBSA-N 2 2 344.463 1.169 20 0 EDADLP CCn1cc(CC[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cn1 ZINC000945809014 701200876 /nfs/dbraw/zinc/20/08/76/701200876.db2.gz QQWUPFIAHYIZLO-DOTOQJQBSA-N 2 2 344.463 1.169 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941163986 701228973 /nfs/dbraw/zinc/22/89/73/701228973.db2.gz RDSIPVCTRAZWQA-GDBMZVCRSA-N 2 2 334.464 1.733 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941163986 701228975 /nfs/dbraw/zinc/22/89/75/701228975.db2.gz RDSIPVCTRAZWQA-GDBMZVCRSA-N 2 2 334.464 1.733 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941163986 701228977 /nfs/dbraw/zinc/22/89/77/701228977.db2.gz RDSIPVCTRAZWQA-GDBMZVCRSA-N 2 2 334.464 1.733 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941163986 701228979 /nfs/dbraw/zinc/22/89/79/701228979.db2.gz RDSIPVCTRAZWQA-GDBMZVCRSA-N 2 2 334.464 1.733 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941216475 701402799 /nfs/dbraw/zinc/40/27/99/701402799.db2.gz DAGYUFUFUWVDOU-UONOGXRCSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941216475 701402801 /nfs/dbraw/zinc/40/28/01/701402801.db2.gz DAGYUFUFUWVDOU-UONOGXRCSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941216475 701402803 /nfs/dbraw/zinc/40/28/03/701402803.db2.gz DAGYUFUFUWVDOU-UONOGXRCSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941216475 701402804 /nfs/dbraw/zinc/40/28/04/701402804.db2.gz DAGYUFUFUWVDOU-UONOGXRCSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941216714 701402889 /nfs/dbraw/zinc/40/28/89/701402889.db2.gz GCWBKNOSNNMVFS-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941216714 701402890 /nfs/dbraw/zinc/40/28/90/701402890.db2.gz GCWBKNOSNNMVFS-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941216714 701402891 /nfs/dbraw/zinc/40/28/91/701402891.db2.gz GCWBKNOSNNMVFS-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941216714 701402892 /nfs/dbraw/zinc/40/28/92/701402892.db2.gz GCWBKNOSNNMVFS-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)C2)co1 ZINC000941222992 701413330 /nfs/dbraw/zinc/41/33/30/701413330.db2.gz BNQWZVHSWYVBGE-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)C2)co1 ZINC000941222992 701413331 /nfs/dbraw/zinc/41/33/31/701413331.db2.gz BNQWZVHSWYVBGE-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP CC1(C)C[N@H+](Cc2cccnc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252815 701420861 /nfs/dbraw/zinc/42/08/61/701420861.db2.gz LEAHECQNDLFWEE-MRXNPFEDSA-N 2 2 327.432 1.695 20 0 EDADLP CC1(C)C[N@@H+](Cc2cccnc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252815 701420863 /nfs/dbraw/zinc/42/08/63/701420863.db2.gz LEAHECQNDLFWEE-MRXNPFEDSA-N 2 2 327.432 1.695 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cc(C4CC4)no3)C2)CC1 ZINC001031948890 701520353 /nfs/dbraw/zinc/52/03/53/701520353.db2.gz RXGAQCZQZWNTMA-UHFFFAOYSA-N 2 2 332.448 1.442 20 0 EDADLP Cn1ccc(C[NH2+][C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)n1 ZINC000995732905 701819681 /nfs/dbraw/zinc/81/96/81/701819681.db2.gz IAWYRSBLFOYHNM-AWEZNQCLSA-N 2 2 330.436 1.103 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032131150 701851416 /nfs/dbraw/zinc/85/14/16/701851416.db2.gz FBIXHFRDSYIQAD-UHFFFAOYSA-N 2 2 347.434 1.478 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccns1 ZINC000995748222 701961514 /nfs/dbraw/zinc/96/15/14/701961514.db2.gz REECXZXDZBTYTE-CYBMUJFWSA-N 2 2 333.461 1.826 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000995748225 701961617 /nfs/dbraw/zinc/96/16/17/701961617.db2.gz REECXZXDZBTYTE-ZDUSSCGKSA-N 2 2 333.461 1.826 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1C ZINC000944442569 702024395 /nfs/dbraw/zinc/02/43/95/702024395.db2.gz DOVVTIOUXXMUKJ-CJNGLKHVSA-N 2 2 334.464 1.514 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@H]1C ZINC000944442569 702024403 /nfs/dbraw/zinc/02/44/03/702024403.db2.gz DOVVTIOUXXMUKJ-CJNGLKHVSA-N 2 2 334.464 1.514 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001031977570 702024422 /nfs/dbraw/zinc/02/44/22/702024422.db2.gz DAFLTVVTGAGYGV-IUODEOHRSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001031977570 702024431 /nfs/dbraw/zinc/02/44/31/702024431.db2.gz DAFLTVVTGAGYGV-IUODEOHRSA-N 2 2 337.414 1.711 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)no1 ZINC000995181952 702035994 /nfs/dbraw/zinc/03/59/94/702035994.db2.gz IIEOBVFXCQILEE-KGLIPLIRSA-N 2 2 331.420 1.632 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001032206166 702131724 /nfs/dbraw/zinc/13/17/24/702131724.db2.gz SXRSHFMQSYTCOH-YOEHRIQHSA-N 2 2 331.464 1.460 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001032206166 702131729 /nfs/dbraw/zinc/13/17/29/702131729.db2.gz SXRSHFMQSYTCOH-YOEHRIQHSA-N 2 2 331.464 1.460 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999202018 706646433 /nfs/dbraw/zinc/64/64/33/706646433.db2.gz UQCMOVAWBHDPCD-KBPBESRZSA-N 2 2 346.435 1.560 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)n1 ZINC000995895682 702199416 /nfs/dbraw/zinc/19/94/16/702199416.db2.gz MDEYFUNBUFBACI-DZGCQCFKSA-N 2 2 335.452 1.045 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995900809 702206980 /nfs/dbraw/zinc/20/69/80/702206980.db2.gz ZPINFIZJKRUCOG-XJKSGUPXSA-N 2 2 349.479 1.299 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995189217 702226859 /nfs/dbraw/zinc/22/68/59/702226859.db2.gz ZKAVZCLCZSBPNS-CJNGLKHVSA-N 2 2 345.422 1.869 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)cn1 ZINC000944152762 702437374 /nfs/dbraw/zinc/43/73/74/702437374.db2.gz DDUJBQNTSNADBC-CXAGYDPISA-N 2 2 342.447 1.088 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)cn1 ZINC000944152762 702437375 /nfs/dbraw/zinc/43/73/75/702437375.db2.gz DDUJBQNTSNADBC-CXAGYDPISA-N 2 2 342.447 1.088 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000996104156 702523309 /nfs/dbraw/zinc/52/33/09/702523309.db2.gz ABLQXULKUFMNFT-ZDUSSCGKSA-N 2 2 333.461 1.757 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCc1ccns1 ZINC000996105290 702565075 /nfs/dbraw/zinc/56/50/75/702565075.db2.gz IAGAXUUMKUCVPC-OAHLLOKOSA-N 2 2 347.488 1.799 20 0 EDADLP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996188787 702593882 /nfs/dbraw/zinc/59/38/82/702593882.db2.gz HWFVFYPDTGKAHH-IAGOWNOFSA-N 2 2 337.508 1.866 20 0 EDADLP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996188787 702593886 /nfs/dbraw/zinc/59/38/86/702593886.db2.gz HWFVFYPDTGKAHH-IAGOWNOFSA-N 2 2 337.508 1.866 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996250218 702652177 /nfs/dbraw/zinc/65/21/77/702652177.db2.gz UCHZKMDXCTYUBS-AWEZNQCLSA-N 2 2 349.479 1.300 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]Cc2noc(C3CC3)n2)C1 ZINC000995209629 702675743 /nfs/dbraw/zinc/67/57/43/702675743.db2.gz KQTHCWYRLPAVNU-HIFRSBDPSA-N 2 2 347.463 1.417 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]Cc2noc(C3CC3)n2)C1 ZINC000995209634 702675801 /nfs/dbraw/zinc/67/58/01/702675801.db2.gz KQTHCWYRLPAVNU-ZFWWWQNUSA-N 2 2 347.463 1.417 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996301194 702693028 /nfs/dbraw/zinc/69/30/28/702693028.db2.gz RPUQOZGVKHACPO-GXTWGEPZSA-N 2 2 335.452 1.189 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)CC2(C)C)o1 ZINC000996313591 702702207 /nfs/dbraw/zinc/70/22/07/702702207.db2.gz FKKNPUYCBPMJOJ-QWHCGFSZSA-N 2 2 337.468 1.299 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000996356851 702734000 /nfs/dbraw/zinc/73/40/00/702734000.db2.gz UAHFNGXCVIQISV-OAHLLOKOSA-N 2 2 328.420 1.077 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258954 702768742 /nfs/dbraw/zinc/76/87/42/702768742.db2.gz RASRANBOJIPWBB-GOEBONIOSA-N 2 2 332.448 1.630 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258954 702768744 /nfs/dbraw/zinc/76/87/44/702768744.db2.gz RASRANBOJIPWBB-GOEBONIOSA-N 2 2 332.448 1.630 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)o1 ZINC000942260603 702770172 /nfs/dbraw/zinc/77/01/72/702770172.db2.gz ZAJRWKZNTZLGGC-UKRRQHHQSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)o1 ZINC000942260603 702770174 /nfs/dbraw/zinc/77/01/74/702770174.db2.gz ZAJRWKZNTZLGGC-UKRRQHHQSA-N 2 2 347.463 1.333 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996512090 702831330 /nfs/dbraw/zinc/83/13/30/702831330.db2.gz AOGYAUPFPMTFTR-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996512090 702831332 /nfs/dbraw/zinc/83/13/32/702831332.db2.gz AOGYAUPFPMTFTR-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996515280 702850775 /nfs/dbraw/zinc/85/07/75/702850775.db2.gz PXJWSNRMWRPDRW-QGZVFWFLSA-N 2 2 341.459 1.693 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]CC[C@H]2CCOC2)C(C)(C)C1 ZINC000996569687 702882097 /nfs/dbraw/zinc/88/20/97/702882097.db2.gz UOEXHWPTAGMJGP-RDJZCZTQSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)[nH]1 ZINC000996608229 702911438 /nfs/dbraw/zinc/91/14/38/702911438.db2.gz CEPOWBVASCBVDU-RISCZKNCSA-N 2 2 345.451 1.206 20 0 EDADLP CCc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995243035 702920940 /nfs/dbraw/zinc/92/09/40/702920940.db2.gz HXRLTXYBXXLDBY-LSDHHAIUSA-N 2 2 345.447 1.817 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000996623005 702928417 /nfs/dbraw/zinc/92/84/17/702928417.db2.gz NJQUAHGZAYWYEA-ZDUSSCGKSA-N 2 2 334.449 1.070 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996651245 702940927 /nfs/dbraw/zinc/94/09/27/702940927.db2.gz OGSAASKDUKAULY-UHFFFAOYSA-N 2 2 331.395 1.657 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996651245 702940930 /nfs/dbraw/zinc/94/09/30/702940930.db2.gz OGSAASKDUKAULY-UHFFFAOYSA-N 2 2 331.395 1.657 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)o1 ZINC000996711928 703006921 /nfs/dbraw/zinc/00/69/21/703006921.db2.gz COJFMAUTUMNNNT-OAHLLOKOSA-N 2 2 331.420 1.515 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996713209 703008100 /nfs/dbraw/zinc/00/81/00/703008100.db2.gz AOYZWQODASTELI-CQSZACIVSA-N 2 2 333.432 1.250 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)o1 ZINC000942519131 703020612 /nfs/dbraw/zinc/02/06/12/703020612.db2.gz ZBIZTJJZYBRWGD-DOMZBBRYSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)o1 ZINC000942519131 703020614 /nfs/dbraw/zinc/02/06/14/703020614.db2.gz ZBIZTJJZYBRWGD-DOMZBBRYSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000996739181 703025331 /nfs/dbraw/zinc/02/53/31/703025331.db2.gz PKDKFGXLNLCFKQ-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996734991 703031624 /nfs/dbraw/zinc/03/16/24/703031624.db2.gz YHADLGGQLITJMG-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996756320 703044760 /nfs/dbraw/zinc/04/47/60/703044760.db2.gz JFSFWQKYYWPNEF-DOTOQJQBSA-N 2 2 346.475 1.595 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996756742 703045531 /nfs/dbraw/zinc/04/55/31/703045531.db2.gz JZAZETCVUWCPIL-GFCCVEGCSA-N 2 2 346.460 1.078 20 0 EDADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C(F)(F)F ZINC000996821740 703109029 /nfs/dbraw/zinc/10/90/29/703109029.db2.gz AGLMXWHQYDCOTM-CHWSQXEVSA-N 2 2 345.365 1.879 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000942598108 703113387 /nfs/dbraw/zinc/11/33/87/703113387.db2.gz RLPJKYUDBDXNQJ-WBVHZDCISA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000942598108 703113389 /nfs/dbraw/zinc/11/33/89/703113389.db2.gz RLPJKYUDBDXNQJ-WBVHZDCISA-N 2 2 345.491 1.453 20 0 EDADLP CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)cc1 ZINC001032332119 703114274 /nfs/dbraw/zinc/11/42/74/703114274.db2.gz QXAAKQMECYQPTE-FHWLQOOXSA-N 2 2 343.471 1.365 20 0 EDADLP CCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)cc1 ZINC001032332119 703114275 /nfs/dbraw/zinc/11/42/75/703114275.db2.gz QXAAKQMECYQPTE-FHWLQOOXSA-N 2 2 343.471 1.365 20 0 EDADLP CCc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001032332119 703114276 /nfs/dbraw/zinc/11/42/76/703114276.db2.gz QXAAKQMECYQPTE-FHWLQOOXSA-N 2 2 343.471 1.365 20 0 EDADLP CCc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001032332119 703114278 /nfs/dbraw/zinc/11/42/78/703114278.db2.gz QXAAKQMECYQPTE-FHWLQOOXSA-N 2 2 343.471 1.365 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC000996853722 703132229 /nfs/dbraw/zinc/13/22/29/703132229.db2.gz FPNLHTVIMDFABC-STQMWFEESA-N 2 2 330.354 1.520 20 0 EDADLP CCn1cc(CC[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000996857533 703141870 /nfs/dbraw/zinc/14/18/70/703141870.db2.gz CIEGZJJGOMMWQL-UHFFFAOYSA-N 2 2 344.463 1.313 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)[nH]1 ZINC000997045226 703293881 /nfs/dbraw/zinc/29/38/81/703293881.db2.gz JWIIHBILYHRHDE-GFCCVEGCSA-N 2 2 331.424 1.042 20 0 EDADLP CCn1ccc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)n1 ZINC000997045234 703293942 /nfs/dbraw/zinc/29/39/42/703293942.db2.gz KADQAVDDSGFBAG-HNNXBMFYSA-N 2 2 344.463 1.831 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1)n1cc[nH+]c1 ZINC000997052575 703300411 /nfs/dbraw/zinc/30/04/11/703300411.db2.gz WUOMXCVOKLUYDY-NVXWUHKLSA-N 2 2 334.464 1.984 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997084196 703322372 /nfs/dbraw/zinc/32/23/72/703322372.db2.gz KWQBKPZVIRTEHU-KBPBESRZSA-N 2 2 342.447 1.720 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997084196 703322374 /nfs/dbraw/zinc/32/23/74/703322374.db2.gz KWQBKPZVIRTEHU-KBPBESRZSA-N 2 2 342.447 1.720 20 0 EDADLP CC1CC(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)C1 ZINC000997092263 703338679 /nfs/dbraw/zinc/33/86/79/703338679.db2.gz CAXITXZQLSOOJE-UHFFFAOYSA-N 2 2 337.508 1.724 20 0 EDADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795155 703378879 /nfs/dbraw/zinc/37/88/79/703378879.db2.gz GLKKSJNMDDRBMV-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001060795155 703378882 /nfs/dbraw/zinc/37/88/82/703378882.db2.gz GLKKSJNMDDRBMV-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1F ZINC000997121950 703380620 /nfs/dbraw/zinc/38/06/20/703380620.db2.gz BZNSHCWPJJLCDD-UHFFFAOYSA-N 2 2 346.406 1.881 20 0 EDADLP CC(C)c1noc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC000997178171 703464594 /nfs/dbraw/zinc/46/45/94/703464594.db2.gz CTPQTFDHZLQREJ-UHFFFAOYSA-N 2 2 346.435 1.250 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1)c1c[nH+]c[nH]1 ZINC000997181822 703466635 /nfs/dbraw/zinc/46/66/35/703466635.db2.gz FDHVWPZLGAOPGJ-AUUYWEPGSA-N 2 2 346.475 1.695 20 0 EDADLP Cc1nc(CC[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)cs1 ZINC000997222352 703500052 /nfs/dbraw/zinc/50/00/52/703500052.db2.gz RFOQHJYOIHWOHA-UHFFFAOYSA-N 2 2 347.488 1.849 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)CCO1 ZINC000997237080 703524068 /nfs/dbraw/zinc/52/40/68/703524068.db2.gz OKFBVWPVOBQHOJ-HOTGVXAUSA-N 2 2 348.491 1.748 20 0 EDADLP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001060821778 703536475 /nfs/dbraw/zinc/53/64/75/703536475.db2.gz HNKWIZHVJLIHJH-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+][C@@H](C)c2csnn2)CC1 ZINC000997310722 703567525 /nfs/dbraw/zinc/56/75/25/703567525.db2.gz SWYSOKIUYIJWJI-NSHDSACASA-N 2 2 334.449 1.385 20 0 EDADLP O=C(C[N@@H+]1CCc2sccc2C1)N1CCC([NH2+]CCF)CC1 ZINC000997356347 703587509 /nfs/dbraw/zinc/58/75/09/703587509.db2.gz IQISGKMIEUSAMU-UHFFFAOYSA-N 2 2 325.453 1.656 20 0 EDADLP O=C(C[N@H+]1CCc2sccc2C1)N1CCC([NH2+]CCF)CC1 ZINC000997356347 703587510 /nfs/dbraw/zinc/58/75/10/703587510.db2.gz IQISGKMIEUSAMU-UHFFFAOYSA-N 2 2 325.453 1.656 20 0 EDADLP COC(=O)COc1ccccc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000921585929 703628800 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346.475 1.224 20 0 EDADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001004959410 707770919 /nfs/dbraw/zinc/77/09/19/707770919.db2.gz YSOILHPCJOXUEG-SWLSCSKDSA-N 2 2 347.419 1.508 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033416059 707793182 /nfs/dbraw/zinc/79/31/82/707793182.db2.gz MUKRIMGSZLXLCU-YOEHRIQHSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033416059 707793186 /nfs/dbraw/zinc/79/31/86/707793186.db2.gz MUKRIMGSZLXLCU-YOEHRIQHSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033416059 707793190 /nfs/dbraw/zinc/79/31/90/707793190.db2.gz MUKRIMGSZLXLCU-YOEHRIQHSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033416059 707793194 /nfs/dbraw/zinc/79/31/94/707793194.db2.gz MUKRIMGSZLXLCU-YOEHRIQHSA-N 2 2 334.439 1.738 20 0 EDADLP 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707935632 /nfs/dbraw/zinc/93/56/32/707935632.db2.gz IMUKFGVTADSDPZ-IAGOWNOFSA-N 2 2 334.464 1.690 20 0 EDADLP C[C@H](c1ncccn1)[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476332 707937688 /nfs/dbraw/zinc/93/76/88/707937688.db2.gz VVAIQAMYIUYYTC-WBVHZDCISA-N 2 2 345.491 1.802 20 0 EDADLP C[C@H](c1ncccn1)[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476332 707937689 /nfs/dbraw/zinc/93/76/89/707937689.db2.gz VVAIQAMYIUYYTC-WBVHZDCISA-N 2 2 345.491 1.802 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001000246556 707950510 /nfs/dbraw/zinc/95/05/10/707950510.db2.gz NSPIUBFIIBWPFH-BRWVUGGUSA-N 2 2 346.475 1.531 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001005209001 708234567 /nfs/dbraw/zinc/23/45/67/708234567.db2.gz JCDQHWVZMBAVKU-SFHVURJKSA-N 2 2 349.450 1.579 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001005209001 708234570 /nfs/dbraw/zinc/23/45/70/708234570.db2.gz JCDQHWVZMBAVKU-SFHVURJKSA-N 2 2 349.450 1.579 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033591497 708288921 /nfs/dbraw/zinc/28/89/21/708288921.db2.gz UYUCBODCVRKUQN-CQSZACIVSA-N 2 2 330.436 1.117 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033591497 708288924 /nfs/dbraw/zinc/28/89/24/708288924.db2.gz UYUCBODCVRKUQN-CQSZACIVSA-N 2 2 330.436 1.117 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033593834 708294350 /nfs/dbraw/zinc/29/43/50/708294350.db2.gz MXCSPJBRMKNVKJ-HNNXBMFYSA-N 2 2 348.878 1.864 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033593834 708294353 /nfs/dbraw/zinc/29/43/53/708294353.db2.gz MXCSPJBRMKNVKJ-HNNXBMFYSA-N 2 2 348.878 1.864 20 0 EDADLP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033594553 708296812 /nfs/dbraw/zinc/29/68/12/708296812.db2.gz NODRCDUWQBEQRU-QAPCUYQASA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033594553 708296813 /nfs/dbraw/zinc/29/68/13/708296813.db2.gz NODRCDUWQBEQRU-QAPCUYQASA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001033594553 708296814 /nfs/dbraw/zinc/29/68/14/708296814.db2.gz NODRCDUWQBEQRU-QAPCUYQASA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001033594553 708296815 /nfs/dbraw/zinc/29/68/15/708296815.db2.gz NODRCDUWQBEQRU-QAPCUYQASA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001033663699 708444584 /nfs/dbraw/zinc/44/45/84/708444584.db2.gz YDOUGMQVEYWMED-GJZGRUSLSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001033663699 708444586 /nfs/dbraw/zinc/44/45/86/708444586.db2.gz YDOUGMQVEYWMED-GJZGRUSLSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC001033663699 708444589 /nfs/dbraw/zinc/44/45/89/708444589.db2.gz YDOUGMQVEYWMED-GJZGRUSLSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC001033663699 708444592 /nfs/dbraw/zinc/44/45/92/708444592.db2.gz YDOUGMQVEYWMED-GJZGRUSLSA-N 2 2 337.414 1.949 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001033668476 708457219 /nfs/dbraw/zinc/45/72/19/708457219.db2.gz MPABJMSFFPJTGF-HOCLYGCPSA-N 2 2 342.447 1.584 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001033668476 708457220 /nfs/dbraw/zinc/45/72/20/708457220.db2.gz MPABJMSFFPJTGF-HOCLYGCPSA-N 2 2 342.447 1.584 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccsc3)C2)C1 ZINC001033670406 708460323 /nfs/dbraw/zinc/46/03/23/708460323.db2.gz BFVXBSZDSWZICU-JKSUJKDBSA-N 2 2 337.489 1.502 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccsc3)C2)C1 ZINC001033670406 708460327 /nfs/dbraw/zinc/46/03/27/708460327.db2.gz BFVXBSZDSWZICU-JKSUJKDBSA-N 2 2 337.489 1.502 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccsc3)C2)C1 ZINC001033670406 708460331 /nfs/dbraw/zinc/46/03/31/708460331.db2.gz BFVXBSZDSWZICU-JKSUJKDBSA-N 2 2 337.489 1.502 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001033670406 708460334 /nfs/dbraw/zinc/46/03/34/708460334.db2.gz BFVXBSZDSWZICU-JKSUJKDBSA-N 2 2 337.489 1.502 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3F)C2)C1 ZINC001033678401 708487676 /nfs/dbraw/zinc/48/76/76/708487676.db2.gz FULPABLCJDBAOR-FUHWJXTLSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3F)C2)C1 ZINC001033678401 708487678 /nfs/dbraw/zinc/48/76/78/708487678.db2.gz FULPABLCJDBAOR-FUHWJXTLSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3F)C2)C1 ZINC001033678401 708487680 /nfs/dbraw/zinc/48/76/80/708487680.db2.gz FULPABLCJDBAOR-FUHWJXTLSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3F)C2)C1 ZINC001033678401 708487681 /nfs/dbraw/zinc/48/76/81/708487681.db2.gz FULPABLCJDBAOR-FUHWJXTLSA-N 2 2 349.450 1.579 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002121084 708634713 /nfs/dbraw/zinc/63/47/13/708634713.db2.gz NOHXXKQEPTVGHQ-OAHLLOKOSA-N 2 2 349.479 1.473 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002121084 708634716 /nfs/dbraw/zinc/63/47/16/708634716.db2.gz NOHXXKQEPTVGHQ-OAHLLOKOSA-N 2 2 349.479 1.473 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ncccn2)CC1 ZINC001002159004 708673303 /nfs/dbraw/zinc/67/33/03/708673303.db2.gz NHNSFVJWARCXIJ-KRWDZBQOSA-N 2 2 345.491 1.679 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ncccn2)CC1 ZINC001002159004 708673306 /nfs/dbraw/zinc/67/33/06/708673306.db2.gz NHNSFVJWARCXIJ-KRWDZBQOSA-N 2 2 345.491 1.679 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001033786890 708696029 /nfs/dbraw/zinc/69/60/29/708696029.db2.gz AWMKITAUXCEOIR-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033786890 708696031 /nfs/dbraw/zinc/69/60/31/708696031.db2.gz AWMKITAUXCEOIR-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033786890 708696033 /nfs/dbraw/zinc/69/60/33/708696033.db2.gz AWMKITAUXCEOIR-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033786890 708696034 /nfs/dbraw/zinc/69/60/34/708696034.db2.gz AWMKITAUXCEOIR-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001033777310 708705130 /nfs/dbraw/zinc/70/51/30/708705130.db2.gz UUVYLVBYLOVYEB-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccnc(OC)n2)C1 ZINC001033777310 708705132 /nfs/dbraw/zinc/70/51/32/708705132.db2.gz UUVYLVBYLOVYEB-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccnc(OC)n2)C1 ZINC001033777310 708705134 /nfs/dbraw/zinc/70/51/34/708705134.db2.gz UUVYLVBYLOVYEB-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccnc(OC)n2)C1 ZINC001033777310 708705136 /nfs/dbraw/zinc/70/51/36/708705136.db2.gz UUVYLVBYLOVYEB-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033831815 708854610 /nfs/dbraw/zinc/85/46/10/708854610.db2.gz YWJKNWMVBXOHLP-ZWKOTPCHSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033831815 708854615 /nfs/dbraw/zinc/85/46/15/708854615.db2.gz YWJKNWMVBXOHLP-ZWKOTPCHSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001033833354 708858761 /nfs/dbraw/zinc/85/87/61/708858761.db2.gz GAUCBBYRTNNUPM-BRWVUGGUSA-N 2 2 345.491 1.548 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001033833354 708858764 /nfs/dbraw/zinc/85/87/64/708858764.db2.gz GAUCBBYRTNNUPM-BRWVUGGUSA-N 2 2 345.491 1.548 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nccc(C)n2)C1 ZINC001033833354 708858768 /nfs/dbraw/zinc/85/87/68/708858768.db2.gz GAUCBBYRTNNUPM-BRWVUGGUSA-N 2 2 345.491 1.548 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nccc(C)n2)C1 ZINC001033833354 708858772 /nfs/dbraw/zinc/85/87/72/708858772.db2.gz GAUCBBYRTNNUPM-BRWVUGGUSA-N 2 2 345.491 1.548 20 0 EDADLP COCC[NH+]1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001005396709 708908352 /nfs/dbraw/zinc/90/83/52/708908352.db2.gz PBUXQDNPJJGVKC-UHFFFAOYSA-N 2 2 330.432 1.826 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033886779 708993725 /nfs/dbraw/zinc/99/37/25/708993725.db2.gz JCTHFDUXHDSSLN-HOCLYGCPSA-N 2 2 343.431 1.135 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033886779 708993730 /nfs/dbraw/zinc/99/37/30/708993730.db2.gz JCTHFDUXHDSSLN-HOCLYGCPSA-N 2 2 343.431 1.135 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033940647 709146894 /nfs/dbraw/zinc/14/68/94/709146894.db2.gz JJWOFUSZTSZGSQ-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033940647 709146896 /nfs/dbraw/zinc/14/68/96/709146896.db2.gz JJWOFUSZTSZGSQ-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001034039786 709272950 /nfs/dbraw/zinc/27/29/50/709272950.db2.gz LVQNHCITBWCELO-MAUKXSAKSA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001034039786 709272953 /nfs/dbraw/zinc/27/29/53/709272953.db2.gz LVQNHCITBWCELO-MAUKXSAKSA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001034039786 709272956 /nfs/dbraw/zinc/27/29/56/709272956.db2.gz LVQNHCITBWCELO-MAUKXSAKSA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001034039786 709272959 /nfs/dbraw/zinc/27/29/59/709272959.db2.gz LVQNHCITBWCELO-MAUKXSAKSA-N 2 2 345.491 1.204 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)ncn1 ZINC001034130626 709400262 /nfs/dbraw/zinc/40/02/62/709400262.db2.gz JIIJFRQCUOCWHE-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)ncn1 ZINC001034130626 709400264 /nfs/dbraw/zinc/40/02/64/709400264.db2.gz JIIJFRQCUOCWHE-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)ncn1 ZINC001034130626 709400265 /nfs/dbraw/zinc/40/02/65/709400265.db2.gz JIIJFRQCUOCWHE-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)ncn1 ZINC001034130626 709400268 /nfs/dbraw/zinc/40/02/68/709400268.db2.gz JIIJFRQCUOCWHE-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001002792617 709400907 /nfs/dbraw/zinc/40/09/07/709400907.db2.gz RCXLBFZDQPPMPX-RDJZCZTQSA-N 2 2 345.491 1.991 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001002792617 709400908 /nfs/dbraw/zinc/40/09/08/709400908.db2.gz RCXLBFZDQPPMPX-RDJZCZTQSA-N 2 2 345.491 1.991 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)[nH]3)CC2)CC[N@@H+]1C ZINC001002859234 709467033 /nfs/dbraw/zinc/46/70/33/709467033.db2.gz LZVLAGPFOXTRNV-UHOFOFEASA-N 2 2 348.495 1.485 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3nnc(C)[nH]3)CC2)CC[N@H+]1C ZINC001002859234 709467034 /nfs/dbraw/zinc/46/70/34/709467034.db2.gz LZVLAGPFOXTRNV-UHOFOFEASA-N 2 2 348.495 1.485 20 0 EDADLP COC[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218731 709575783 /nfs/dbraw/zinc/57/57/83/709575783.db2.gz IFYGSEARUBAPOP-HZPDHXFCSA-N 2 2 348.491 1.768 20 0 EDADLP COC[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218731 709575787 /nfs/dbraw/zinc/57/57/87/709575787.db2.gz IFYGSEARUBAPOP-HZPDHXFCSA-N 2 2 348.491 1.768 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[N@H+](C[C@H]3CCOC3)C2)c[nH+]1 ZINC001034260767 709647984 /nfs/dbraw/zinc/64/79/84/709647984.db2.gz NRDXYXWJRCOCNL-IAGOWNOFSA-N 2 2 348.491 1.934 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCCC[N@@H+](C[C@H]3CCOC3)C2)c[nH+]1 ZINC001034260767 709647986 /nfs/dbraw/zinc/64/79/86/709647986.db2.gz NRDXYXWJRCOCNL-IAGOWNOFSA-N 2 2 348.491 1.934 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](C/C=C\Cl)C2)O1 ZINC001034275396 709685040 /nfs/dbraw/zinc/68/50/40/709685040.db2.gz ZTJITWIJWGDWLB-QFPHHOLTSA-N 2 2 329.872 1.429 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](C/C=C\Cl)C2)O1 ZINC001034275396 709685044 /nfs/dbraw/zinc/68/50/44/709685044.db2.gz ZTJITWIJWGDWLB-QFPHHOLTSA-N 2 2 329.872 1.429 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](C/C=C\Cl)C2)O1 ZINC001034275396 709685047 /nfs/dbraw/zinc/68/50/47/709685047.db2.gz ZTJITWIJWGDWLB-QFPHHOLTSA-N 2 2 329.872 1.429 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](C/C=C\Cl)C2)O1 ZINC001034275396 709685051 /nfs/dbraw/zinc/68/50/51/709685051.db2.gz ZTJITWIJWGDWLB-QFPHHOLTSA-N 2 2 329.872 1.429 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2oc(C)nc2C)C1 ZINC001034308601 709749452 /nfs/dbraw/zinc/74/94/52/709749452.db2.gz DCUZCEUNJNRFFZ-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2oc(C)nc2C)C1 ZINC001034308601 709749453 /nfs/dbraw/zinc/74/94/53/709749453.db2.gz DCUZCEUNJNRFFZ-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](C/C=C\Cl)C2)C1 ZINC001034364327 709883423 /nfs/dbraw/zinc/88/34/23/709883423.db2.gz SPACQNSCVGCCHK-BNOHMRNQSA-N 2 2 343.899 1.819 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](C/C=C\Cl)C2)C1 ZINC001034364327 709883426 /nfs/dbraw/zinc/88/34/26/709883426.db2.gz SPACQNSCVGCCHK-BNOHMRNQSA-N 2 2 343.899 1.819 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](C/C=C\Cl)C2)C1 ZINC001034364327 709883430 /nfs/dbraw/zinc/88/34/30/709883430.db2.gz SPACQNSCVGCCHK-BNOHMRNQSA-N 2 2 343.899 1.819 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](C/C=C\Cl)C2)C1 ZINC001034364327 709883435 /nfs/dbraw/zinc/88/34/35/709883435.db2.gz SPACQNSCVGCCHK-BNOHMRNQSA-N 2 2 343.899 1.819 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)no1 ZINC001034396414 709935720 /nfs/dbraw/zinc/93/57/20/709935720.db2.gz FNOBSNCYWSDJEQ-ZBFHGGJFSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)no1 ZINC001034396414 709935722 /nfs/dbraw/zinc/93/57/22/709935722.db2.gz FNOBSNCYWSDJEQ-ZBFHGGJFSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)no1 ZINC001034396414 709935724 /nfs/dbraw/zinc/93/57/24/709935724.db2.gz FNOBSNCYWSDJEQ-ZBFHGGJFSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)no1 ZINC001034396414 709935726 /nfs/dbraw/zinc/93/57/26/709935726.db2.gz FNOBSNCYWSDJEQ-ZBFHGGJFSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001003159463 710067129 /nfs/dbraw/zinc/06/71/29/710067129.db2.gz LPIORDVMRKYQCT-WFASDCNBSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001003159463 710067135 /nfs/dbraw/zinc/06/71/35/710067135.db2.gz LPIORDVMRKYQCT-WFASDCNBSA-N 2 2 335.452 1.504 20 0 EDADLP O=C(NC1CC[NH+](CCOC2CCC2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001003192074 710106724 /nfs/dbraw/zinc/10/67/24/710106724.db2.gz DLRFBHSEYBWFFV-OAHLLOKOSA-N 2 2 346.475 1.595 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CCc2ccns2)C1 ZINC001034491062 710110794 /nfs/dbraw/zinc/11/07/94/710110794.db2.gz POAIWQBDEUCEIF-CQSZACIVSA-N 2 2 347.488 1.633 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CCc2ccns2)C1 ZINC001034491062 710110797 /nfs/dbraw/zinc/11/07/97/710110797.db2.gz POAIWQBDEUCEIF-CQSZACIVSA-N 2 2 347.488 1.633 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](Cc3nccs3)C2)C1 ZINC001034491494 710111628 /nfs/dbraw/zinc/11/16/28/710111628.db2.gz VMAODQVJAPJENN-GJZGRUSLSA-N 2 2 336.505 1.956 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](Cc3nccs3)C2)C1 ZINC001034491494 710111630 /nfs/dbraw/zinc/11/16/30/710111630.db2.gz VMAODQVJAPJENN-GJZGRUSLSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@H+](Cc3nccs3)C2)C1 ZINC001034491494 710111631 /nfs/dbraw/zinc/11/16/31/710111631.db2.gz VMAODQVJAPJENN-GJZGRUSLSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@@H+](Cc3nccs3)C2)C1 ZINC001034491494 710111633 /nfs/dbraw/zinc/11/16/33/710111633.db2.gz VMAODQVJAPJENN-GJZGRUSLSA-N 2 2 336.505 1.956 20 0 EDADLP Cc1oncc1C[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003195501 710130931 /nfs/dbraw/zinc/13/09/31/710130931.db2.gz XYQMQRREIUWBBE-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)oc1C ZINC001034488230 710136535 /nfs/dbraw/zinc/13/65/35/710136535.db2.gz SHCRGUMHWUTKRJ-MRXNPFEDSA-N 2 2 346.475 1.858 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)oc1C ZINC001034488230 710136539 /nfs/dbraw/zinc/13/65/39/710136539.db2.gz SHCRGUMHWUTKRJ-MRXNPFEDSA-N 2 2 346.475 1.858 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001034502726 710143632 /nfs/dbraw/zinc/14/36/32/710143632.db2.gz HWYUTGPALVMYDR-JKSUJKDBSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001034502726 710143635 /nfs/dbraw/zinc/14/36/35/710143635.db2.gz HWYUTGPALVMYDR-JKSUJKDBSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546532 710220235 /nfs/dbraw/zinc/22/02/35/710220235.db2.gz GQRXXNUDSRPTAY-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1ccncc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546532 710220237 /nfs/dbraw/zinc/22/02/37/710220237.db2.gz GQRXXNUDSRPTAY-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC001003744863 710527667 /nfs/dbraw/zinc/52/76/67/710527667.db2.gz KDQMPBFEJGBXFM-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)o1 ZINC001003776224 710545355 /nfs/dbraw/zinc/54/53/55/710545355.db2.gz LDHOKHSJTSFIAJ-HZPDHXFCSA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)o1 ZINC001003776224 710545357 /nfs/dbraw/zinc/54/53/57/710545357.db2.gz LDHOKHSJTSFIAJ-HZPDHXFCSA-N 2 2 347.463 1.476 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CC1OCCCO1 ZINC000922280324 710581746 /nfs/dbraw/zinc/58/17/46/710581746.db2.gz INJJUYAGTNGPLQ-UHFFFAOYSA-N 2 2 336.432 1.250 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001005580475 710610698 /nfs/dbraw/zinc/61/06/98/710610698.db2.gz GQBWSBGPCKEMLO-CQSZACIVSA-N 2 2 335.448 1.590 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005616579 710712090 /nfs/dbraw/zinc/71/20/90/710712090.db2.gz HXZLXGQIAWITEF-HUUCEWRRSA-N 2 2 334.464 1.403 20 0 EDADLP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1)C(N)=O ZINC001034695645 710772962 /nfs/dbraw/zinc/77/29/62/710772962.db2.gz AZVVIVQXLDKRBK-JYJNAYRXSA-N 2 2 346.475 1.901 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)no1 ZINC001034734661 710916915 /nfs/dbraw/zinc/91/69/15/710916915.db2.gz USPQKXYLIHWQEL-KKUMJFAQSA-N 2 2 349.479 1.491 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)no1 ZINC001034734661 710916920 /nfs/dbraw/zinc/91/69/20/710916920.db2.gz USPQKXYLIHWQEL-KKUMJFAQSA-N 2 2 349.479 1.491 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)on1 ZINC001034744407 710960564 /nfs/dbraw/zinc/96/05/64/710960564.db2.gz UJTCICXLGXPXNC-HAQNSBGRSA-N 2 2 333.392 1.166 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001003956488 711066552 /nfs/dbraw/zinc/06/65/52/711066552.db2.gz XETIJANFBNESHA-CQSZACIVSA-N 2 2 343.431 1.496 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1)c1csnn1 ZINC001034778550 711081559 /nfs/dbraw/zinc/08/15/59/711081559.db2.gz VRDQMCSDMVNFMS-AVGNSLFASA-N 2 2 348.476 1.592 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC001034793546 711123598 /nfs/dbraw/zinc/12/35/98/711123598.db2.gz HMYUWBSMNJLKOC-HDJSIYSDSA-N 2 2 332.408 1.100 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001003972146 711125051 /nfs/dbraw/zinc/12/50/51/711125051.db2.gz VEJDDLOUVMVLJG-GOSISDBHSA-N 2 2 342.443 1.277 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001034802027 711144176 /nfs/dbraw/zinc/14/41/76/711144176.db2.gz VEZHODSBECXPAU-BRWVUGGUSA-N 2 2 334.464 1.859 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c(C)[nH+]1 ZINC001061364429 711144910 /nfs/dbraw/zinc/14/49/10/711144910.db2.gz JJOFGWAZYRMPGH-JKSUJKDBSA-N 2 2 331.464 1.439 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c(C)c(C)[nH+]1 ZINC001061364429 711144916 /nfs/dbraw/zinc/14/49/16/711144916.db2.gz JJOFGWAZYRMPGH-JKSUJKDBSA-N 2 2 331.464 1.439 20 0 EDADLP CC[NH2+]Cc1ccc(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC001034821350 711222920 /nfs/dbraw/zinc/22/29/20/711222920.db2.gz ZYSWJXXDMPXDLQ-LJQANCHMSA-N 2 2 345.487 1.913 20 0 EDADLP CC[NH2+]Cc1ccc(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC001034821350 711222922 /nfs/dbraw/zinc/22/29/22/711222922.db2.gz ZYSWJXXDMPXDLQ-LJQANCHMSA-N 2 2 345.487 1.913 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001034891713 711347987 /nfs/dbraw/zinc/34/79/87/711347987.db2.gz ZSLWCGBPMQGSTK-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001034891713 711347991 /nfs/dbraw/zinc/34/79/91/711347991.db2.gz ZSLWCGBPMQGSTK-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1)c1cnccn1 ZINC001034921114 711380161 /nfs/dbraw/zinc/38/01/61/711380161.db2.gz XFRQBXBZHYPRKE-ZIAGYGMSSA-N 2 2 328.420 1.474 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004150837 711566826 /nfs/dbraw/zinc/56/68/26/711566826.db2.gz UMSRMUBHKLTIBD-OAHLLOKOSA-N 2 2 333.480 1.496 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004150837 711566828 /nfs/dbraw/zinc/56/68/28/711566828.db2.gz UMSRMUBHKLTIBD-OAHLLOKOSA-N 2 2 333.480 1.496 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595445 712035966 /nfs/dbraw/zinc/03/59/66/712035966.db2.gz HOFVNBWSDJMDCE-QGZVFWFLSA-N 2 2 334.464 1.312 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595445 712035969 /nfs/dbraw/zinc/03/59/69/712035969.db2.gz HOFVNBWSDJMDCE-QGZVFWFLSA-N 2 2 334.464 1.312 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CCN1CC(F)F ZINC000153371797 529400989 /nfs/dbraw/zinc/40/09/89/529400989.db2.gz OGUPOMZEPMRGRF-LSDHHAIUSA-N 2 2 346.466 1.200 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CCN1CC(F)F ZINC000153371797 529400990 /nfs/dbraw/zinc/40/09/90/529400990.db2.gz OGUPOMZEPMRGRF-LSDHHAIUSA-N 2 2 346.466 1.200 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173962485 231083164 /nfs/dbraw/zinc/08/31/64/231083164.db2.gz LRQOXCAQRPRHJB-YJBOKZPZSA-N 2 2 340.427 1.665 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)c1c(F)cccc1F ZINC000133862542 282171746 /nfs/dbraw/zinc/17/17/46/282171746.db2.gz BFBLKCFDZJZJCN-FZMZJTMJSA-N 2 2 343.443 1.779 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H](C)O1 ZINC000174677445 231277305 /nfs/dbraw/zinc/27/73/05/231277305.db2.gz RFMSYLSRTKLIPA-RKVPGOIHSA-N 2 2 347.459 1.565 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H](C)O1 ZINC000174677445 231277308 /nfs/dbraw/zinc/27/73/08/231277308.db2.gz RFMSYLSRTKLIPA-RKVPGOIHSA-N 2 2 347.459 1.565 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(Cc3ccsc3)CC2)CC1 ZINC000558721546 306245896 /nfs/dbraw/zinc/24/58/96/306245896.db2.gz QXYSZUAREVQUEV-UHFFFAOYSA-N 2 2 336.505 1.030 20 0 EDADLP CN(Cc1ccccc1F)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559290364 306253230 /nfs/dbraw/zinc/25/32/30/306253230.db2.gz YJFWOKPNMQGTRV-UHFFFAOYSA-N 2 2 331.395 1.329 20 0 EDADLP Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)on1 ZINC000068299250 539329396 /nfs/dbraw/zinc/32/93/96/539329396.db2.gz DOLOBFYQIQPFRU-MRXNPFEDSA-N 2 2 332.448 1.863 20 0 EDADLP Cc1cc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)on1 ZINC000068299250 539329401 /nfs/dbraw/zinc/32/94/01/539329401.db2.gz DOLOBFYQIQPFRU-MRXNPFEDSA-N 2 2 332.448 1.863 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCCOc3cccc(F)c3)CC[C@@H]21 ZINC000158553163 530064641 /nfs/dbraw/zinc/06/46/41/530064641.db2.gz BEICXIMSBWPVCX-YJBOKZPZSA-N 2 2 349.450 1.737 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCCOc3cccc(F)c3)CC[C@@H]21 ZINC000158553163 530064642 /nfs/dbraw/zinc/06/46/42/530064642.db2.gz BEICXIMSBWPVCX-YJBOKZPZSA-N 2 2 349.450 1.737 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCCOc3cccc(F)c3)CC[C@@H]21 ZINC000158553163 530064643 /nfs/dbraw/zinc/06/46/43/530064643.db2.gz BEICXIMSBWPVCX-YJBOKZPZSA-N 2 2 349.450 1.737 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCCOc3cccc(F)c3)CC[C@@H]21 ZINC000158553163 530064644 /nfs/dbraw/zinc/06/46/44/530064644.db2.gz BEICXIMSBWPVCX-YJBOKZPZSA-N 2 2 349.450 1.737 20 0 EDADLP CN(c1ccccc1C[NH2+]Cc1nncn1C)C1CC[NH+](C)CC1 ZINC000132951741 530037139 /nfs/dbraw/zinc/03/71/39/530037139.db2.gz ASNWZNPJSUBJLO-UHFFFAOYSA-N 2 2 328.464 1.635 20 0 EDADLP CC(C)c1ccccc1OCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000561159387 306283235 /nfs/dbraw/zinc/28/32/35/306283235.db2.gz BZKXTXYQUYDZGO-HNNXBMFYSA-N 2 2 334.464 1.473 20 0 EDADLP CC(C)c1ccccc1OCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000561159387 306283236 /nfs/dbraw/zinc/28/32/36/306283236.db2.gz BZKXTXYQUYDZGO-HNNXBMFYSA-N 2 2 334.464 1.473 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)CC2 ZINC000561302031 306286561 /nfs/dbraw/zinc/28/65/61/306286561.db2.gz UKKLDSUQQIWTHP-INIZCTEOSA-N 2 2 348.491 1.571 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H](CCCO)c2ccccc2)C[C@@H](C)O1 ZINC000341884101 539754674 /nfs/dbraw/zinc/75/46/74/539754674.db2.gz KDXRSHCHGLQBHP-RWQQGDIJSA-N 2 2 336.476 1.560 20 0 EDADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000561748665 306290609 /nfs/dbraw/zinc/29/06/09/306290609.db2.gz OLHQSJCKHUSQOE-ZFWWWQNUSA-N 2 2 326.404 1.361 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152387506 539808808 /nfs/dbraw/zinc/80/88/08/539808808.db2.gz JUNOSWKASVEFEU-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152387506 539808813 /nfs/dbraw/zinc/80/88/13/539808813.db2.gz JUNOSWKASVEFEU-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152532526 539817527 /nfs/dbraw/zinc/81/75/27/539817527.db2.gz ZFXCKPFQKUWJTG-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152532526 539817534 /nfs/dbraw/zinc/81/75/34/539817534.db2.gz ZFXCKPFQKUWJTG-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000562506667 306300909 /nfs/dbraw/zinc/30/09/09/306300909.db2.gz GUBMFHAKHVBOMH-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000562506667 306300910 /nfs/dbraw/zinc/30/09/10/306300910.db2.gz GUBMFHAKHVBOMH-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000562606665 306302603 /nfs/dbraw/zinc/30/26/03/306302603.db2.gz RRMXOXVIDJBJLH-HNNXBMFYSA-N 2 2 328.420 1.884 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000562606665 306302604 /nfs/dbraw/zinc/30/26/04/306302604.db2.gz RRMXOXVIDJBJLH-HNNXBMFYSA-N 2 2 328.420 1.884 20 0 EDADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000181039443 234067604 /nfs/dbraw/zinc/06/76/04/234067604.db2.gz YBGQOXFZJAHAOM-WMZOPIPTSA-N 2 2 331.460 1.579 20 0 EDADLP C[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000441371634 305221486 /nfs/dbraw/zinc/22/14/86/305221486.db2.gz MRXSZWDHLCIBCZ-UHFFFAOYSA-N 2 2 349.859 1.441 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000562976545 306314408 /nfs/dbraw/zinc/31/44/08/306314408.db2.gz OTPVXZASUYKTKT-UONOGXRCSA-N 2 2 332.448 1.273 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000563064460 306317443 /nfs/dbraw/zinc/31/74/43/306317443.db2.gz FYVCWFCBJZAHQL-UHFFFAOYSA-N 2 2 339.403 1.670 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000563203591 306323300 /nfs/dbraw/zinc/32/33/00/306323300.db2.gz GJOSTRBYHIPEJY-HOCLYGCPSA-N 2 2 328.416 1.992 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000162339876 540044738 /nfs/dbraw/zinc/04/47/38/540044738.db2.gz WTVXHTVVNPEXTK-UHFFFAOYSA-N 2 2 335.411 1.929 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)CC2 ZINC000563244138 306324582 /nfs/dbraw/zinc/32/45/82/306324582.db2.gz QBTKPYZHDMGWTE-SJLPKXTDSA-N 2 2 346.475 1.467 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccccc3O)CC2)CC1 ZINC000038437492 213208697 /nfs/dbraw/zinc/20/86/97/213208697.db2.gz UTJZLOGSHZDKMM-INIZCTEOSA-N 2 2 346.475 1.067 20 0 EDADLP CNc1[nH+]cnc2c1cnn2C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000193759445 540183777 /nfs/dbraw/zinc/18/37/77/540183777.db2.gz VHOHIHJOKIRULY-HNNXBMFYSA-N 2 2 338.415 1.287 20 0 EDADLP CNc1[nH+]cnc2c1cnn2C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000193759445 540183779 /nfs/dbraw/zinc/18/37/79/540183779.db2.gz VHOHIHJOKIRULY-HNNXBMFYSA-N 2 2 338.415 1.287 20 0 EDADLP COc1ccc(OC(F)F)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000563433210 306332863 /nfs/dbraw/zinc/33/28/63/306332863.db2.gz SCMMJDWALCMUGT-WCQYABFASA-N 2 2 341.358 1.040 20 0 EDADLP COc1ccc(OC(F)F)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000563433210 306332864 /nfs/dbraw/zinc/33/28/64/306332864.db2.gz SCMMJDWALCMUGT-WCQYABFASA-N 2 2 341.358 1.040 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000563549823 306338501 /nfs/dbraw/zinc/33/85/01/306338501.db2.gz GFXIDCWBBMXBMK-HNNXBMFYSA-N 2 2 338.883 1.902 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000563549823 306338502 /nfs/dbraw/zinc/33/85/02/306338502.db2.gz GFXIDCWBBMXBMK-HNNXBMFYSA-N 2 2 338.883 1.902 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC1CC[NH2+]CC1)c1ccccc1F ZINC000563559277 306338812 /nfs/dbraw/zinc/33/88/12/306338812.db2.gz RJXJGLYQPYEGDE-MRXNPFEDSA-N 2 2 345.422 1.947 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000078123754 138256341 /nfs/dbraw/zinc/25/63/41/138256341.db2.gz HYJKMODCIHNXLA-OALUTQOASA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000078123754 138256342 /nfs/dbraw/zinc/25/63/42/138256342.db2.gz HYJKMODCIHNXLA-OALUTQOASA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078123754 138256343 /nfs/dbraw/zinc/25/63/43/138256343.db2.gz HYJKMODCIHNXLA-OALUTQOASA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078123754 138256344 /nfs/dbraw/zinc/25/63/44/138256344.db2.gz HYJKMODCIHNXLA-OALUTQOASA-N 2 2 345.487 1.686 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000076428352 138248429 /nfs/dbraw/zinc/24/84/29/138248429.db2.gz NAJMHSFXNAEVSZ-INIZCTEOSA-N 2 2 331.460 1.619 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000076428352 138248430 /nfs/dbraw/zinc/24/84/30/138248430.db2.gz NAJMHSFXNAEVSZ-INIZCTEOSA-N 2 2 331.460 1.619 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@H](C3CCC3)C2)CC1 ZINC000413394460 304059661 /nfs/dbraw/zinc/05/96/61/304059661.db2.gz BCTJMDHOPCOXTA-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000563595081 306340739 /nfs/dbraw/zinc/34/07/39/306340739.db2.gz OTDJHZGMYIZMJQ-MRXNPFEDSA-N 2 2 327.432 1.411 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)c2cccnc2)CC1 ZINC000413412675 304060351 /nfs/dbraw/zinc/06/03/51/304060351.db2.gz XVUMFWZFHWQDEX-UHFFFAOYSA-N 2 2 347.507 1.684 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124402525 138326367 /nfs/dbraw/zinc/32/63/67/138326367.db2.gz UFMUKAYZJOAKMZ-UHFFFAOYSA-N 2 2 336.417 1.692 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124402525 138326368 /nfs/dbraw/zinc/32/63/68/138326368.db2.gz UFMUKAYZJOAKMZ-UHFFFAOYSA-N 2 2 336.417 1.692 20 0 EDADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133475812 138393890 /nfs/dbraw/zinc/39/38/90/138393890.db2.gz RLVOOSFPTFBSSN-KRWDZBQOSA-N 2 2 345.491 1.004 20 0 EDADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133475812 138393892 /nfs/dbraw/zinc/39/38/92/138393892.db2.gz RLVOOSFPTFBSSN-KRWDZBQOSA-N 2 2 345.491 1.004 20 0 EDADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCOC1 ZINC000133706750 138397716 /nfs/dbraw/zinc/39/77/16/138397716.db2.gz ZPUJLURDGDWARY-DLBZAZTESA-N 2 2 333.480 1.393 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000186950622 236076306 /nfs/dbraw/zinc/07/63/06/236076306.db2.gz OAJODZWMCLRWFG-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000186950622 236076308 /nfs/dbraw/zinc/07/63/08/236076308.db2.gz OAJODZWMCLRWFG-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000563850738 306349554 /nfs/dbraw/zinc/34/95/54/306349554.db2.gz HVHUWZKERMYDTR-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000563850738 306349555 /nfs/dbraw/zinc/34/95/55/306349555.db2.gz HVHUWZKERMYDTR-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000178390549 138741317 /nfs/dbraw/zinc/74/13/17/138741317.db2.gz KNTRFJNTCMVAIH-INIZCTEOSA-N 2 2 341.415 1.394 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@@H+](C2CC2)C1 ZINC000564539536 306360029 /nfs/dbraw/zinc/36/00/29/306360029.db2.gz UDGDLJCTEFZZAB-AWEZNQCLSA-N 2 2 331.464 1.773 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@H+](C2CC2)C1 ZINC000564539536 306360030 /nfs/dbraw/zinc/36/00/30/306360030.db2.gz UDGDLJCTEFZZAB-AWEZNQCLSA-N 2 2 331.464 1.773 20 0 EDADLP C[N@@H+](C[C@H](O)CNC[C@@H]1CSCC[NH+]1Cc1ccccc1)C1CC1 ZINC000564723746 306363628 /nfs/dbraw/zinc/36/36/28/306363628.db2.gz QSWUYIYPXNQWSC-RTBURBONSA-N 2 2 349.544 1.649 20 0 EDADLP C[NH+](C[C@H](O)CNC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000564723746 306363629 /nfs/dbraw/zinc/36/36/29/306363629.db2.gz QSWUYIYPXNQWSC-RTBURBONSA-N 2 2 349.544 1.649 20 0 EDADLP C[NH+](C[C@H](O)CNC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000564723746 306363630 /nfs/dbraw/zinc/36/36/30/306363630.db2.gz QSWUYIYPXNQWSC-RTBURBONSA-N 2 2 349.544 1.649 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000564798046 306365368 /nfs/dbraw/zinc/36/53/68/306365368.db2.gz QGGMTCLFCDRAKH-ZDUSSCGKSA-N 2 2 340.265 1.483 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000564798046 306365369 /nfs/dbraw/zinc/36/53/69/306365369.db2.gz QGGMTCLFCDRAKH-ZDUSSCGKSA-N 2 2 340.265 1.483 20 0 EDADLP CCN1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000566924361 306433555 /nfs/dbraw/zinc/43/35/55/306433555.db2.gz PKPDLDNMXDUWSP-HNNXBMFYSA-N 2 2 338.415 1.885 20 0 EDADLP CC(C)(C)[NH2+]CCNCc1ccccc1OCC[NH+]1CCOCC1 ZINC000415075854 304157960 /nfs/dbraw/zinc/15/79/60/304157960.db2.gz FTRIOFOIPRLNFR-UHFFFAOYSA-N 2 2 335.492 1.875 20 0 EDADLP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3C[NH2+]CCO3)c2C)cc1 ZINC000415094323 304159007 /nfs/dbraw/zinc/15/90/07/304159007.db2.gz JTXLUIKMIVZRRD-SFHVURJKSA-N 2 2 344.459 1.635 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C(F)F ZINC000567165939 306440361 /nfs/dbraw/zinc/44/03/61/306440361.db2.gz CXMBSTNTUSCJKL-KGLIPLIRSA-N 2 2 343.443 1.875 20 0 EDADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415097957 304159779 /nfs/dbraw/zinc/15/97/79/304159779.db2.gz UPNMKWLKYIJBPQ-CZUORRHYSA-N 2 2 339.867 1.655 20 0 EDADLP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000236775523 139031028 /nfs/dbraw/zinc/03/10/28/139031028.db2.gz OFIUZLZNHZRXPP-QGZVFWFLSA-N 2 2 349.475 1.531 20 0 EDADLP CCCC[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000236782572 139031236 /nfs/dbraw/zinc/03/12/36/139031236.db2.gz MTFIYCLLOXSHGI-GOSISDBHSA-N 2 2 349.475 1.531 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000236980314 139037116 /nfs/dbraw/zinc/03/71/16/139037116.db2.gz ASOKQBLQGZKUKK-DLBZAZTESA-N 2 2 331.460 1.857 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000237165912 139042783 /nfs/dbraw/zinc/04/27/83/139042783.db2.gz YECYCPVCRVZYPM-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)cc(OC)c1 ZINC000237302547 139047193 /nfs/dbraw/zinc/04/71/93/139047193.db2.gz ZXWKRERGGWOYGD-HZPDHXFCSA-N 2 2 347.459 1.475 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000237323016 139047880 /nfs/dbraw/zinc/04/78/80/139047880.db2.gz LEMZUZSUDBRZCY-OCCSQVGLSA-N 2 2 338.477 1.003 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCCC3)c[nH+]2)C[C@@H](C)O1 ZINC000237439743 139051334 /nfs/dbraw/zinc/05/13/34/139051334.db2.gz MNUFMDWKXPTGQG-ZIAGYGMSSA-N 2 2 332.448 1.583 20 0 EDADLP [NH3+]CCC1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000567514241 306454177 /nfs/dbraw/zinc/45/41/77/306454177.db2.gz JFMBCQPCLQBBBV-UHFFFAOYSA-N 2 2 331.460 1.720 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237759824 139059845 /nfs/dbraw/zinc/05/98/45/139059845.db2.gz REEDVPRVPCMMBQ-CQSZACIVSA-N 2 2 332.473 1.946 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000237825444 139061457 /nfs/dbraw/zinc/06/14/57/139061457.db2.gz ILAWDRWCUVRBHZ-RTBURBONSA-N 2 2 339.439 1.704 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000237825444 139061458 /nfs/dbraw/zinc/06/14/58/139061458.db2.gz ILAWDRWCUVRBHZ-RTBURBONSA-N 2 2 339.439 1.704 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000567673495 306458101 /nfs/dbraw/zinc/45/81/01/306458101.db2.gz NGKMECZXODMUIF-CYBMUJFWSA-N 2 2 343.431 1.462 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H]1CC ZINC000246266966 139101794 /nfs/dbraw/zinc/10/17/94/139101794.db2.gz LOEOZOMAWSNGCR-RTBURBONSA-N 2 2 345.487 1.660 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H]1CC ZINC000246266966 139101795 /nfs/dbraw/zinc/10/17/95/139101795.db2.gz LOEOZOMAWSNGCR-RTBURBONSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246583508 139113965 /nfs/dbraw/zinc/11/39/65/139113965.db2.gz ICQAITIRYMIYFN-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP [NH3+]CCC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000567990684 306468711 /nfs/dbraw/zinc/46/87/11/306468711.db2.gz WLJCXEPYQZJUIO-UHFFFAOYSA-N 2 2 344.381 1.610 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000247141970 139137554 /nfs/dbraw/zinc/13/75/54/139137554.db2.gz ZSJDIILTLNKWRT-UWWQBHOKSA-N 2 2 346.475 1.004 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000247141970 139137555 /nfs/dbraw/zinc/13/75/55/139137555.db2.gz ZSJDIILTLNKWRT-UWWQBHOKSA-N 2 2 346.475 1.004 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247141970 139137556 /nfs/dbraw/zinc/13/75/56/139137556.db2.gz ZSJDIILTLNKWRT-UWWQBHOKSA-N 2 2 346.475 1.004 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247141970 139137557 /nfs/dbraw/zinc/13/75/57/139137557.db2.gz ZSJDIILTLNKWRT-UWWQBHOKSA-N 2 2 346.475 1.004 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000247169019 139138626 /nfs/dbraw/zinc/13/86/26/139138626.db2.gz MTOGMOBQGDPILL-TZMCWYRMSA-N 2 2 333.436 1.459 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000247169019 139138627 /nfs/dbraw/zinc/13/86/27/139138627.db2.gz MTOGMOBQGDPILL-TZMCWYRMSA-N 2 2 333.436 1.459 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248822325 139176416 /nfs/dbraw/zinc/17/64/16/139176416.db2.gz FZVOXSUFVIFKKY-GOEBONIOSA-N 2 2 333.484 1.171 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248822325 139176417 /nfs/dbraw/zinc/17/64/17/139176417.db2.gz FZVOXSUFVIFKKY-GOEBONIOSA-N 2 2 333.484 1.171 20 0 EDADLP CCOCC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000093312427 218214776 /nfs/dbraw/zinc/21/47/76/218214776.db2.gz OLXCNWZQNULGNO-UHFFFAOYSA-N 2 2 335.448 1.426 20 0 EDADLP CCOCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000093312427 218214779 /nfs/dbraw/zinc/21/47/79/218214779.db2.gz OLXCNWZQNULGNO-UHFFFAOYSA-N 2 2 335.448 1.426 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)CC(C)(C)C[NH3+] ZINC000093873946 218254342 /nfs/dbraw/zinc/25/43/42/218254342.db2.gz VRGKBLMRIGGYFE-UHFFFAOYSA-N 2 2 329.242 1.699 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)CC(C)(C)C[NH3+] ZINC000093873946 218254343 /nfs/dbraw/zinc/25/43/43/218254343.db2.gz VRGKBLMRIGGYFE-UHFFFAOYSA-N 2 2 329.242 1.699 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCC([N@@H+]4CCO[C@H](C)C4)CC3)cc12 ZINC000261382803 139208340 /nfs/dbraw/zinc/20/83/40/139208340.db2.gz IKAKPNIBIUUYRQ-CQSZACIVSA-N 2 2 343.475 1.962 20 0 EDADLP [NH3+]C1CC[NH+](CC(=O)NCCc2ccc(OC(F)F)cc2)CC1 ZINC000261850379 139231361 /nfs/dbraw/zinc/23/13/61/139231361.db2.gz ZTTYEFSOEIZSCW-UHFFFAOYSA-N 2 2 327.375 1.370 20 0 EDADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)ccn1 ZINC000261899333 139235120 /nfs/dbraw/zinc/23/51/20/139235120.db2.gz HLJSZEKKPDINMW-ZCNNSNEGSA-N 3 2 344.503 1.793 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000262057089 139247100 /nfs/dbraw/zinc/24/71/00/139247100.db2.gz VOHQXYTZSWXJPK-IBGZPJMESA-N 2 2 344.503 1.359 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)Nc2ccc(OCC[NH3+])cc2)CCO1 ZINC000415941864 251036425 /nfs/dbraw/zinc/03/64/25/251036425.db2.gz XZVROHKJJWLDLK-UHFFFAOYSA-N 2 2 336.436 1.256 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(OCC[NH3+])cc2)CCO1 ZINC000415941864 251036427 /nfs/dbraw/zinc/03/64/27/251036427.db2.gz XZVROHKJJWLDLK-UHFFFAOYSA-N 2 2 336.436 1.256 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000415948643 251037750 /nfs/dbraw/zinc/03/77/50/251037750.db2.gz USKXOHLRORZNPE-MRXNPFEDSA-N 2 2 348.447 1.353 20 0 EDADLP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000262214265 139260640 /nfs/dbraw/zinc/26/06/40/139260640.db2.gz FDQWUAGVDJMYPN-JKSUJKDBSA-N 2 2 339.867 1.784 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000262305026 139268527 /nfs/dbraw/zinc/26/85/27/139268527.db2.gz BESQLSSFCXTCEC-HOCLYGCPSA-N 2 2 332.379 1.143 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000416881450 251117931 /nfs/dbraw/zinc/11/79/31/251117931.db2.gz HEPZDZJROMWQHD-DZGCQCFKSA-N 2 2 329.448 1.971 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000416992105 251121265 /nfs/dbraw/zinc/12/12/65/251121265.db2.gz QWULFOIHFNIIJM-GOEBONIOSA-N 2 2 349.479 1.479 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000417271460 251151130 /nfs/dbraw/zinc/15/11/30/251151130.db2.gz QTRURDQNXMKQOD-GXTWGEPZSA-N 2 2 331.395 1.890 20 0 EDADLP C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000417521816 251182327 /nfs/dbraw/zinc/18/23/27/251182327.db2.gz PVCUFAJJIRGLQO-IRXDYDNUSA-N 2 2 348.491 1.656 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417581207 251195984 /nfs/dbraw/zinc/19/59/84/251195984.db2.gz FLILQXMLONFJOU-STQMWFEESA-N 2 2 340.418 1.966 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417581207 251195988 /nfs/dbraw/zinc/19/59/88/251195988.db2.gz FLILQXMLONFJOU-STQMWFEESA-N 2 2 340.418 1.966 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417592875 251202184 /nfs/dbraw/zinc/20/21/84/251202184.db2.gz YOPKHGWLZCXNDL-STQMWFEESA-N 2 2 340.418 1.918 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417592875 251202187 /nfs/dbraw/zinc/20/21/87/251202187.db2.gz YOPKHGWLZCXNDL-STQMWFEESA-N 2 2 340.418 1.918 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000262419661 139277820 /nfs/dbraw/zinc/27/78/20/139277820.db2.gz ZYVZPROBBYMHRW-AFIMGQEJSA-N 2 2 347.459 1.611 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C(C)(C)C ZINC000417684631 251227647 /nfs/dbraw/zinc/22/76/47/251227647.db2.gz XBWDCYIWRAREGE-STQMWFEESA-N 2 2 334.455 1.897 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1c(F)cccc1F ZINC000417832568 251288500 /nfs/dbraw/zinc/28/85/00/251288500.db2.gz TVHPTEDGEJAMFM-NVXWUHKLSA-N 2 2 331.366 1.968 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)s1 ZINC000417834625 251290995 /nfs/dbraw/zinc/29/09/95/251290995.db2.gz SSNVGTPCBYOJCF-KGLIPLIRSA-N 2 2 338.477 1.172 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CCCC[NH3+])nc[nH+]1 ZINC000417777110 251266727 /nfs/dbraw/zinc/26/67/27/251266727.db2.gz QVMMAZNVNLCBAV-ZIAGYGMSSA-N 2 2 349.483 1.304 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CCCC[NH3+])[nH+]cn1 ZINC000417777110 251266728 /nfs/dbraw/zinc/26/67/28/251266728.db2.gz QVMMAZNVNLCBAV-ZIAGYGMSSA-N 2 2 349.483 1.304 20 0 EDADLP CCC[NH2+]CCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417847299 251295626 /nfs/dbraw/zinc/29/56/26/251295626.db2.gz QNBMFNZRCUNZMR-UHFFFAOYSA-N 2 2 329.448 1.925 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000418475786 251373981 /nfs/dbraw/zinc/37/39/81/251373981.db2.gz RKEJTHRWTBQQOA-JKSUJKDBSA-N 2 2 348.491 1.896 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH3+])[C@H](C)C1 ZINC000418475786 251373984 /nfs/dbraw/zinc/37/39/84/251373984.db2.gz RKEJTHRWTBQQOA-JKSUJKDBSA-N 2 2 348.491 1.896 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418527832 251376084 /nfs/dbraw/zinc/37/60/84/251376084.db2.gz UOHYHEMKKRPQOD-LBPRGKRZSA-N 2 2 341.406 1.702 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCCCCC[NH3+])([NH+]2CCCCC2)CC1 ZINC000262655249 139293607 /nfs/dbraw/zinc/29/36/07/139293607.db2.gz UEZLOPIZOIKOSM-UHFFFAOYSA-N 3 2 338.540 1.962 20 0 EDADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000422888656 252011993 /nfs/dbraw/zinc/01/19/93/252011993.db2.gz DMSJMTMQIFITPT-XLIONFOSSA-N 3 2 330.520 1.912 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCNS(C)(=O)=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422800559 251981111 /nfs/dbraw/zinc/98/11/11/251981111.db2.gz CFGCUVKYCXMPHQ-JKSUJKDBSA-N 2 2 341.477 1.017 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000422860729 252004065 /nfs/dbraw/zinc/00/40/65/252004065.db2.gz MUAYEKYCJYPZNS-CVEARBPZSA-N 3 2 325.497 1.629 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000422860729 252004069 /nfs/dbraw/zinc/00/40/69/252004069.db2.gz MUAYEKYCJYPZNS-CVEARBPZSA-N 3 2 325.497 1.629 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCOC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423074006 252034961 /nfs/dbraw/zinc/03/49/61/252034961.db2.gz KNONZQWVTXINGI-SJORKVTESA-N 2 2 340.489 1.727 20 0 EDADLP COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CC[NH2+]C2)cc1Br ZINC000423149016 252037471 /nfs/dbraw/zinc/03/74/71/252037471.db2.gz ADUQPVSJEUYXKN-CHWSQXEVSA-N 2 2 343.265 1.560 20 0 EDADLP C[N@@H+]1CCO[C@@H]([C@H](NCC(F)(F)C[NH3+])c2ccc(Cl)cc2)C1 ZINC000423347589 252049006 /nfs/dbraw/zinc/04/90/06/252049006.db2.gz QQTWHIUJFLIARU-ZIAGYGMSSA-N 2 2 333.810 1.895 20 0 EDADLP C[N@H+]1CCO[C@@H]([C@H](NCC(F)(F)C[NH3+])c2ccc(Cl)cc2)C1 ZINC000423347589 252049010 /nfs/dbraw/zinc/04/90/10/252049010.db2.gz QQTWHIUJFLIARU-ZIAGYGMSSA-N 2 2 333.810 1.895 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422907973 252018485 /nfs/dbraw/zinc/01/84/85/252018485.db2.gz CMUCODGUHBQUHW-RTBURBONSA-N 3 2 346.519 1.988 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2OC)C[C@@H]1[NH+]1CCOCC1 ZINC000423872052 252102192 /nfs/dbraw/zinc/10/21/92/252102192.db2.gz KOBJHGUEIONAIV-UWWQBHOKSA-N 2 2 347.459 1.264 20 0 EDADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000424186750 252156886 /nfs/dbraw/zinc/15/68/86/252156886.db2.gz HJAIDJDHAMGAQZ-LSDHHAIUSA-N 2 2 347.850 1.369 20 0 EDADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000424186750 252156889 /nfs/dbraw/zinc/15/68/89/252156889.db2.gz HJAIDJDHAMGAQZ-LSDHHAIUSA-N 2 2 347.850 1.369 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3C[C@@]3(F)c3ccccc3)cn2)CC1 ZINC000424209824 252161182 /nfs/dbraw/zinc/16/11/82/252161182.db2.gz ZSRKEAVATHEWBB-PKOBYXMFSA-N 2 2 341.434 1.955 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)[nH+]c2c1 ZINC000424138288 252138501 /nfs/dbraw/zinc/13/85/01/252138501.db2.gz UCBPXHHEENJPRV-AWEZNQCLSA-N 2 2 339.403 1.089 20 0 EDADLP COC(=O)CC1CC(Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)C1 ZINC000424277076 252189035 /nfs/dbraw/zinc/18/90/35/252189035.db2.gz GMZPWIUVSYWDRG-XUJLQICISA-N 2 2 332.448 1.976 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000424285145 252189783 /nfs/dbraw/zinc/18/97/83/252189783.db2.gz FGPNGPBYVDULOM-RTBURBONSA-N 3 2 344.503 1.758 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262957746 139315143 /nfs/dbraw/zinc/31/51/43/139315143.db2.gz WFBGJCKAXKEDJN-IJEWVQPXSA-N 2 2 335.448 1.598 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262957746 139315144 /nfs/dbraw/zinc/31/51/44/139315144.db2.gz WFBGJCKAXKEDJN-IJEWVQPXSA-N 2 2 335.448 1.598 20 0 EDADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)C[C@H]2C1 ZINC000424359811 252199638 /nfs/dbraw/zinc/19/96/38/252199638.db2.gz YWIBBGIFTKDHSP-LWYATFNNSA-N 2 2 349.519 1.863 20 0 EDADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)C[C@H]2C1 ZINC000424359811 252199641 /nfs/dbraw/zinc/19/96/41/252199641.db2.gz YWIBBGIFTKDHSP-LWYATFNNSA-N 2 2 349.519 1.863 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)cs1 ZINC000153487814 224111599 /nfs/dbraw/zinc/11/15/99/224111599.db2.gz FZOAKONWLJZYAY-BETUJISGSA-N 2 2 336.505 1.872 20 0 EDADLP C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415722630 304261471 /nfs/dbraw/zinc/26/14/71/304261471.db2.gz CPSFEAZOJQMRQR-BLLLJJGKSA-N 2 2 340.383 1.761 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3cccc(F)c3C2)CC1 ZINC000153838385 224164563 /nfs/dbraw/zinc/16/45/63/224164563.db2.gz MYGWAVIGKWYDTM-UHFFFAOYSA-N 2 2 348.466 1.919 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000492299452 255169010 /nfs/dbraw/zinc/16/90/10/255169010.db2.gz MTDJYKBQLVXCMT-NHZBNJEXSA-N 2 2 332.448 1.533 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000493927464 255226670 /nfs/dbraw/zinc/22/66/70/255226670.db2.gz QYMQWLUUTTUDJU-IUCAKERBSA-N 2 2 325.210 1.696 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000495597340 255307004 /nfs/dbraw/zinc/30/70/04/255307004.db2.gz VCJAMNFDHRCBTM-KBPBESRZSA-N 2 2 338.477 1.656 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000495597340 255307005 /nfs/dbraw/zinc/30/70/05/255307005.db2.gz VCJAMNFDHRCBTM-KBPBESRZSA-N 2 2 338.477 1.656 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000495597340 255307006 /nfs/dbraw/zinc/30/70/06/255307006.db2.gz VCJAMNFDHRCBTM-KBPBESRZSA-N 2 2 338.477 1.656 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000495597340 255307007 /nfs/dbraw/zinc/30/70/07/255307007.db2.gz VCJAMNFDHRCBTM-KBPBESRZSA-N 2 2 338.477 1.656 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000496265021 255372524 /nfs/dbraw/zinc/37/25/24/255372524.db2.gz QBEWIWVJPYJBGN-KRWDZBQOSA-N 2 2 334.420 1.700 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000263991798 139374480 /nfs/dbraw/zinc/37/44/80/139374480.db2.gz GSMLCPUDMLAAJY-CVEARBPZSA-N 2 2 345.422 1.994 20 0 EDADLP Cc1cncc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119554274 221346442 /nfs/dbraw/zinc/34/64/42/221346442.db2.gz KMGCHMXTZHOLLR-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP Cc1cncc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000119554274 221346447 /nfs/dbraw/zinc/34/64/47/221346447.db2.gz KMGCHMXTZHOLLR-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000415843954 304280362 /nfs/dbraw/zinc/28/03/62/304280362.db2.gz QJVDRCHFVCVJGN-CQSZACIVSA-N 2 2 342.399 1.407 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000264306756 139395636 /nfs/dbraw/zinc/39/56/36/139395636.db2.gz YJLQKMZPFXRDOR-KRWDZBQOSA-N 2 2 336.480 1.509 20 0 EDADLP Cc1c(O)ccc2c(C[NH+]3CCC([N@H+](C)CCO)CC3)cc(=O)oc12 ZINC000264309312 139395857 /nfs/dbraw/zinc/39/58/57/139395857.db2.gz ZWMQSOLBXONIJR-UHFFFAOYSA-N 2 2 346.427 1.696 20 0 EDADLP Cc1c(O)ccc2c(C[NH+]3CCC([N@@H+](C)CCO)CC3)cc(=O)oc12 ZINC000264309312 139395858 /nfs/dbraw/zinc/39/58/58/139395858.db2.gz ZWMQSOLBXONIJR-UHFFFAOYSA-N 2 2 346.427 1.696 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158846781 533237104 /nfs/dbraw/zinc/23/71/04/533237104.db2.gz SPRLJGITUGMVQL-OWCLPIDISA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158846781 533237111 /nfs/dbraw/zinc/23/71/11/533237111.db2.gz SPRLJGITUGMVQL-OWCLPIDISA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158846781 533237114 /nfs/dbraw/zinc/23/71/14/533237114.db2.gz SPRLJGITUGMVQL-OWCLPIDISA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158846781 533237120 /nfs/dbraw/zinc/23/71/20/533237120.db2.gz SPRLJGITUGMVQL-OWCLPIDISA-N 2 2 339.480 1.106 20 0 EDADLP C[C@H](CC(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000164800859 533662336 /nfs/dbraw/zinc/66/23/36/533662336.db2.gz LFBKMNCOEZVRMT-CABCVRRESA-N 2 2 327.432 1.909 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000270922641 140199502 /nfs/dbraw/zinc/19/95/02/140199502.db2.gz PDUCNEGRRRAPEF-ZWKOTPCHSA-N 2 2 331.460 1.034 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000270922641 140199503 /nfs/dbraw/zinc/19/95/03/140199503.db2.gz PDUCNEGRRRAPEF-ZWKOTPCHSA-N 2 2 331.460 1.034 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(Cl)c1F ZINC000271058425 140228681 /nfs/dbraw/zinc/22/86/81/140228681.db2.gz RTVFDYSOPAWTKG-UHFFFAOYSA-N 2 2 342.846 1.972 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(Cl)c1F ZINC000271058425 140228682 /nfs/dbraw/zinc/22/86/82/140228682.db2.gz RTVFDYSOPAWTKG-UHFFFAOYSA-N 2 2 342.846 1.972 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CCC[N@@H+](C(C)C)CC3)ccc2[nH+]1 ZINC000271632084 140323768 /nfs/dbraw/zinc/32/37/68/140323768.db2.gz RFTOSAJHIYAHLI-UHFFFAOYSA-N 2 2 343.431 1.524 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CCC[N@H+](C(C)C)CC3)ccc2[nH+]1 ZINC000271632084 140323770 /nfs/dbraw/zinc/32/37/70/140323770.db2.gz RFTOSAJHIYAHLI-UHFFFAOYSA-N 2 2 343.431 1.524 20 0 EDADLP Cc1ccccc1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000271709898 140337692 /nfs/dbraw/zinc/33/76/92/140337692.db2.gz PELCHICKTLHUPF-UHFFFAOYSA-N 2 2 339.505 1.642 20 0 EDADLP Cc1ccccc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000271709898 140337693 /nfs/dbraw/zinc/33/76/93/140337693.db2.gz PELCHICKTLHUPF-UHFFFAOYSA-N 2 2 339.505 1.642 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@H]1[NH3+] ZINC000331521454 141042506 /nfs/dbraw/zinc/04/25/06/141042506.db2.gz JQLNAGGBHAQCCA-GDBMZVCRSA-N 2 2 331.464 1.951 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@H]1C ZINC000331598908 141054324 /nfs/dbraw/zinc/05/43/24/141054324.db2.gz QJFCPAUMBYZKMT-CABCVRRESA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H](C)O1 ZINC000332819249 141239430 /nfs/dbraw/zinc/23/94/30/141239430.db2.gz DOKUNARBGGNHEW-ZNMIVQPWSA-N 2 2 334.464 1.450 20 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XMOZZXVCDQJNTB-UHFFFAOYSA-N 2 2 342.509 1.657 20 0 EDADLP COC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@H]1CCCO1 ZINC000361135258 152317712 /nfs/dbraw/zinc/31/77/12/152317712.db2.gz FQEPBCKOTILJCX-HZPDHXFCSA-N 2 2 328.453 1.188 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@@H]12 ZINC000574060097 306642374 /nfs/dbraw/zinc/64/23/74/306642374.db2.gz SSNMANBRZHNGLK-DJIMGWMZSA-N 2 2 325.416 1.751 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000361189418 152330127 /nfs/dbraw/zinc/33/01/27/152330127.db2.gz IFAHAEWJCRIJFN-OLMNPRSZSA-N 2 2 348.466 1.323 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000361189418 152330128 /nfs/dbraw/zinc/33/01/28/152330128.db2.gz IFAHAEWJCRIJFN-OLMNPRSZSA-N 2 2 348.466 1.323 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000361826462 152514248 /nfs/dbraw/zinc/51/42/48/152514248.db2.gz XZYHEZDKOXOWOQ-AWEZNQCLSA-N 2 2 336.484 1.892 20 0 EDADLP C[C@H](CNC(=O)C1CC[NH+](Cc2cccnc2)CC1)Cn1cc[nH+]c1 ZINC000363560107 153000002 /nfs/dbraw/zinc/00/00/02/153000002.db2.gz KQERSOYJWNEAOB-MRXNPFEDSA-N 2 2 341.459 1.943 20 0 EDADLP CSC[C@H](O)C[N@@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000363771040 153052136 /nfs/dbraw/zinc/05/21/36/153052136.db2.gz UKUNGNANNOOTPJ-OAHLLOKOSA-N 2 2 326.510 1.696 20 0 EDADLP CSC[C@H](O)C[N@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000363771040 153052138 /nfs/dbraw/zinc/05/21/38/153052138.db2.gz UKUNGNANNOOTPJ-OAHLLOKOSA-N 2 2 326.510 1.696 20 0 EDADLP CC[NH+](CC)CCN1CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000363945355 153104494 /nfs/dbraw/zinc/10/44/94/153104494.db2.gz JXVUWTSNZLRYRY-MRXNPFEDSA-N 2 2 343.512 1.303 20 0 EDADLP CC[NH+](CC)CCN1CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000363945355 153104495 /nfs/dbraw/zinc/10/44/95/153104495.db2.gz JXVUWTSNZLRYRY-MRXNPFEDSA-N 2 2 343.512 1.303 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000364188894 153167003 /nfs/dbraw/zinc/16/70/03/153167003.db2.gz GYXKARYCTXSAIS-IBGZPJMESA-N 2 2 345.487 1.460 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000364188894 153167006 /nfs/dbraw/zinc/16/70/06/153167006.db2.gz GYXKARYCTXSAIS-IBGZPJMESA-N 2 2 345.487 1.460 20 0 EDADLP CO[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364548983 153266427 /nfs/dbraw/zinc/26/64/27/153266427.db2.gz PTCAHGFPRHSSKQ-USXIJHARSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364548983 153266429 /nfs/dbraw/zinc/26/64/29/153266429.db2.gz PTCAHGFPRHSSKQ-USXIJHARSA-N 2 2 338.496 1.364 20 0 EDADLP CN1CC[NH+]([C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c2ccccc2)CC1 ZINC000364565463 153272486 /nfs/dbraw/zinc/27/24/86/153272486.db2.gz VTMUNOOHMVNBPJ-FCGDIQPGSA-N 2 2 342.487 1.456 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000364662895 153297203 /nfs/dbraw/zinc/29/72/03/153297203.db2.gz ZCIJYAQOYLEGPE-HNNXBMFYSA-N 2 2 338.521 1.979 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000574383456 306649251 /nfs/dbraw/zinc/64/92/51/306649251.db2.gz LDCQYWYQHNEQKA-SJORKVTESA-N 2 2 325.416 1.435 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000367111100 154011507 /nfs/dbraw/zinc/01/15/07/154011507.db2.gz RTLDTDHAKGVADC-GOSISDBHSA-N 2 2 344.503 1.893 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000367111100 154011509 /nfs/dbraw/zinc/01/15/09/154011509.db2.gz RTLDTDHAKGVADC-GOSISDBHSA-N 2 2 344.503 1.893 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000367172344 154029348 /nfs/dbraw/zinc/02/93/48/154029348.db2.gz WQHYLDQWJXODAU-QGZVFWFLSA-N 2 2 330.476 1.585 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000367172344 154029351 /nfs/dbraw/zinc/02/93/51/154029351.db2.gz WQHYLDQWJXODAU-QGZVFWFLSA-N 2 2 330.476 1.585 20 0 EDADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCOCCO)CC2 ZINC000367253757 154055851 /nfs/dbraw/zinc/05/58/51/154055851.db2.gz SXAIQPDBDGNDTQ-AWEZNQCLSA-N 2 2 325.478 1.438 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367273131 154061821 /nfs/dbraw/zinc/06/18/21/154061821.db2.gz AJQUMYRFCXONIR-WMZOPIPTSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367273131 154061825 /nfs/dbraw/zinc/06/18/25/154061825.db2.gz AJQUMYRFCXONIR-WMZOPIPTSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367273131 154061828 /nfs/dbraw/zinc/06/18/28/154061828.db2.gz AJQUMYRFCXONIR-WMZOPIPTSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367273131 154061829 /nfs/dbraw/zinc/06/18/29/154061829.db2.gz AJQUMYRFCXONIR-WMZOPIPTSA-N 3 2 334.508 1.099 20 0 EDADLP Cc1ccc([C@H](O)C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000367296446 154069492 /nfs/dbraw/zinc/06/94/92/154069492.db2.gz QJKDJPCDIBMZGJ-ZWKOTPCHSA-N 2 2 331.460 1.443 20 0 EDADLP Cc1ccc([C@H](O)C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000367296446 154069493 /nfs/dbraw/zinc/06/94/93/154069493.db2.gz QJKDJPCDIBMZGJ-ZWKOTPCHSA-N 2 2 331.460 1.443 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000367300462 154070778 /nfs/dbraw/zinc/07/07/78/154070778.db2.gz NCERPRRXLOQATN-HNNXBMFYSA-N 2 2 328.420 1.350 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000367300462 154070779 /nfs/dbraw/zinc/07/07/79/154070779.db2.gz NCERPRRXLOQATN-HNNXBMFYSA-N 2 2 328.420 1.350 20 0 EDADLP CON(C)C(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000367321767 154076927 /nfs/dbraw/zinc/07/69/27/154076927.db2.gz JQUQOVCAWSTFJJ-SWLSCSKDSA-N 2 2 340.493 1.661 20 0 EDADLP CON(C)C(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000367321767 154076931 /nfs/dbraw/zinc/07/69/31/154076931.db2.gz JQUQOVCAWSTFJJ-SWLSCSKDSA-N 2 2 340.493 1.661 20 0 EDADLP COCCOCc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000367466050 154136136 /nfs/dbraw/zinc/13/61/36/154136136.db2.gz QWXPAJCCNSXQCX-RTBURBONSA-N 2 2 334.460 1.802 20 0 EDADLP COCCOCc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000367466050 154136138 /nfs/dbraw/zinc/13/61/38/154136138.db2.gz QWXPAJCCNSXQCX-RTBURBONSA-N 2 2 334.460 1.802 20 0 EDADLP CO[C@@H](C)C[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000367626159 154203395 /nfs/dbraw/zinc/20/33/95/154203395.db2.gz MZTNEYIGTHGBKK-INIZCTEOSA-N 2 2 341.496 1.104 20 0 EDADLP Cc1[nH+]c2n(c1CN1CC[NH+](CCn3cccn3)CC1)CCCC2 ZINC000367887658 154313373 /nfs/dbraw/zinc/31/33/73/154313373.db2.gz VLMVSIRPUJYMER-UHFFFAOYSA-N 2 2 328.464 1.542 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000369633598 155116581 /nfs/dbraw/zinc/11/65/81/155116581.db2.gz BOHDJKNPYGRXSB-NVXWUHKLSA-N 2 2 347.507 1.573 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000369633598 155116583 /nfs/dbraw/zinc/11/65/83/155116583.db2.gz BOHDJKNPYGRXSB-NVXWUHKLSA-N 2 2 347.507 1.573 20 0 EDADLP c1cn(-c2ccc(C[N@@H+]3CCCN(c4ncccn4)CC3)cn2)c[nH+]1 ZINC000371866334 156143941 /nfs/dbraw/zinc/14/39/41/156143941.db2.gz IADFTXKZHWCVFH-UHFFFAOYSA-N 2 2 335.415 1.770 20 0 EDADLP c1cn(-c2ccc(C[N@H+]3CCCN(c4ncccn4)CC3)cn2)c[nH+]1 ZINC000371866334 156143945 /nfs/dbraw/zinc/14/39/45/156143945.db2.gz IADFTXKZHWCVFH-UHFFFAOYSA-N 2 2 335.415 1.770 20 0 EDADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000372060005 156229693 /nfs/dbraw/zinc/22/96/93/156229693.db2.gz CHWVTPLERGSIMQ-YDZRNGNQSA-N 3 2 338.540 1.101 20 0 EDADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000372060005 156229698 /nfs/dbraw/zinc/22/96/98/156229698.db2.gz CHWVTPLERGSIMQ-YDZRNGNQSA-N 3 2 338.540 1.101 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(n3cccn3)CC2)CC1 ZINC000372270016 156295105 /nfs/dbraw/zinc/29/51/05/156295105.db2.gz JTSQSNXOBKLIOE-UHFFFAOYSA-N 2 2 348.495 1.256 20 0 EDADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372311017 156325132 /nfs/dbraw/zinc/32/51/32/156325132.db2.gz HDQFSOXRSGBSOV-OAHLLOKOSA-N 2 2 349.504 1.457 20 0 EDADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372311017 156325136 /nfs/dbraw/zinc/32/51/36/156325136.db2.gz HDQFSOXRSGBSOV-OAHLLOKOSA-N 2 2 349.504 1.457 20 0 EDADLP C[C@@H]1CN(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000575027964 306662907 /nfs/dbraw/zinc/66/29/07/306662907.db2.gz VYQRJEHJGXYLIM-SOLBZPMBSA-N 2 2 338.496 1.210 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[NH2+]C1CCCCCC1)[NH+]1CCOCC1 ZINC000417531090 304403655 /nfs/dbraw/zinc/40/36/55/304403655.db2.gz YXHJCHOGGMYCCV-JKSUJKDBSA-N 2 2 340.512 1.707 20 0 EDADLP COc1cccc(-n2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)nn2)c1 ZINC000373920556 157064820 /nfs/dbraw/zinc/06/48/20/157064820.db2.gz XURDLMWALDHAFY-VHRNVKJDSA-N 2 2 327.432 1.991 20 0 EDADLP COc1cccc(-n2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)nn2)c1 ZINC000373920556 157064825 /nfs/dbraw/zinc/06/48/25/157064825.db2.gz XURDLMWALDHAFY-VHRNVKJDSA-N 2 2 327.432 1.991 20 0 EDADLP COC(=O)c1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374253282 157213673 /nfs/dbraw/zinc/21/36/73/157213673.db2.gz GZASEXMRJWABKZ-VQIMIIECSA-N 2 2 345.487 1.931 20 0 EDADLP COC(=O)c1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374253282 157213676 /nfs/dbraw/zinc/21/36/76/157213676.db2.gz GZASEXMRJWABKZ-VQIMIIECSA-N 2 2 345.487 1.931 20 0 EDADLP CC(C)Cn1cc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cn1 ZINC000374716184 157375743 /nfs/dbraw/zinc/37/57/43/157375743.db2.gz KXKUUYXZPVHWME-PKOBYXMFSA-N 2 2 349.523 1.376 20 0 EDADLP CC(C)Cn1cc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cn1 ZINC000374716184 157375747 /nfs/dbraw/zinc/37/57/47/157375747.db2.gz KXKUUYXZPVHWME-PKOBYXMFSA-N 2 2 349.523 1.376 20 0 EDADLP CC(C)Cn1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)cn1 ZINC000374716184 157375750 /nfs/dbraw/zinc/37/57/50/157375750.db2.gz KXKUUYXZPVHWME-PKOBYXMFSA-N 2 2 349.523 1.376 20 0 EDADLP CC(C)Cn1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cn1 ZINC000374716184 157375751 /nfs/dbraw/zinc/37/57/51/157375751.db2.gz KXKUUYXZPVHWME-PKOBYXMFSA-N 2 2 349.523 1.376 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC000575409926 306669492 /nfs/dbraw/zinc/66/94/92/306669492.db2.gz ARMAZNHWFAQJBY-UHFFFAOYSA-N 2 2 336.432 1.439 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C[C@@H]1C ZINC000377897509 158023893 /nfs/dbraw/zinc/02/38/93/158023893.db2.gz CEAVVCLQMOWKKJ-YOEHRIQHSA-N 2 2 329.460 1.378 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C[C@@H]1C ZINC000377897509 158023895 /nfs/dbraw/zinc/02/38/95/158023895.db2.gz CEAVVCLQMOWKKJ-YOEHRIQHSA-N 2 2 329.460 1.378 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1C ZINC000377897509 158023896 /nfs/dbraw/zinc/02/38/96/158023896.db2.gz CEAVVCLQMOWKKJ-YOEHRIQHSA-N 2 2 329.460 1.378 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1C ZINC000377897509 158023899 /nfs/dbraw/zinc/02/38/99/158023899.db2.gz CEAVVCLQMOWKKJ-YOEHRIQHSA-N 2 2 329.460 1.378 20 0 EDADLP CCc1nc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cs1 ZINC000378428912 158170019 /nfs/dbraw/zinc/17/00/19/158170019.db2.gz LACMNEFJYHDSLZ-UHFFFAOYSA-N 2 2 325.478 1.365 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccncc1 ZINC000378583786 158213901 /nfs/dbraw/zinc/21/39/01/158213901.db2.gz ZLBUGKJLUDWRKL-NVXWUHKLSA-N 2 2 332.448 1.055 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000378590619 158215682 /nfs/dbraw/zinc/21/56/82/158215682.db2.gz HMJBQPGLOYWRPY-HNNXBMFYSA-N 2 2 331.460 1.995 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000378590619 158215683 /nfs/dbraw/zinc/21/56/83/158215683.db2.gz HMJBQPGLOYWRPY-HNNXBMFYSA-N 2 2 331.460 1.995 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC000352193088 162041316 /nfs/dbraw/zinc/04/13/16/162041316.db2.gz AVLDTMYNXUGQMK-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCCOC2)CC1 ZINC000352193088 162041319 /nfs/dbraw/zinc/04/13/19/162041319.db2.gz AVLDTMYNXUGQMK-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@@H](C)O ZINC000352204013 162048478 /nfs/dbraw/zinc/04/84/78/162048478.db2.gz WECYNBYXIIZIBO-CQSZACIVSA-N 2 2 325.478 1.095 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@@H](C)O ZINC000352204013 162048480 /nfs/dbraw/zinc/04/84/80/162048480.db2.gz WECYNBYXIIZIBO-CQSZACIVSA-N 2 2 325.478 1.095 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000352235629 162065556 /nfs/dbraw/zinc/06/55/56/162065556.db2.gz XSFTVCUYYGMFDD-UHFFFAOYSA-N 2 2 336.461 1.838 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352382324 162152209 /nfs/dbraw/zinc/15/22/09/162152209.db2.gz NOQXKEFWGGUATD-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352495170 162210730 /nfs/dbraw/zinc/21/07/30/162210730.db2.gz JDVNDZMJLXPUQD-JKSUJKDBSA-N 2 2 346.475 1.310 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000352496803 162212870 /nfs/dbraw/zinc/21/28/70/162212870.db2.gz ZUYHPVURVCRWSK-OAHLLOKOSA-N 2 2 344.459 1.955 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000352496803 162212873 /nfs/dbraw/zinc/21/28/73/162212873.db2.gz ZUYHPVURVCRWSK-OAHLLOKOSA-N 2 2 344.459 1.955 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352507878 162219108 /nfs/dbraw/zinc/21/91/08/162219108.db2.gz DOTLHXJCACIRQW-MJGOQNOKSA-N 2 2 344.503 1.022 20 0 EDADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000352520456 162226977 /nfs/dbraw/zinc/22/69/77/162226977.db2.gz YNJVXZBVKYMJHV-ZBFHGGJFSA-N 2 2 334.439 1.441 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000357225096 162283128 /nfs/dbraw/zinc/28/31/28/162283128.db2.gz CRWNLJBTZRMHNB-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000357225096 162283132 /nfs/dbraw/zinc/28/31/32/162283132.db2.gz CRWNLJBTZRMHNB-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3ccc(F)cc3)C2)CC1 ZINC000364231693 162320910 /nfs/dbraw/zinc/32/09/10/162320910.db2.gz PBOVGGYTWFOTKD-QGZVFWFLSA-N 2 2 348.466 1.836 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3ccc(F)cc3)C2)CC1 ZINC000364231693 162320913 /nfs/dbraw/zinc/32/09/13/162320913.db2.gz PBOVGGYTWFOTKD-QGZVFWFLSA-N 2 2 348.466 1.836 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(=O)NCC(F)F ZINC000364954071 162345513 /nfs/dbraw/zinc/34/55/13/162345513.db2.gz JGDFTCYOYCYXDM-TZMCWYRMSA-N 2 2 326.391 1.263 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(=O)NCC(F)F ZINC000364954071 162345516 /nfs/dbraw/zinc/34/55/16/162345516.db2.gz JGDFTCYOYCYXDM-TZMCWYRMSA-N 2 2 326.391 1.263 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000365280869 162360455 /nfs/dbraw/zinc/36/04/55/162360455.db2.gz VJNFBMIRSDJAIU-SJORKVTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000365280869 162360461 /nfs/dbraw/zinc/36/04/61/162360461.db2.gz VJNFBMIRSDJAIU-SJORKVTESA-N 2 2 337.508 1.868 20 0 EDADLP O=C(CC1CC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000163666091 226004152 /nfs/dbraw/zinc/00/41/52/226004152.db2.gz BJJPFRZWBYGBGI-UHFFFAOYSA-N 2 2 331.460 1.599 20 0 EDADLP O=C(CC[NH2+]C(C1CC1)C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000126053290 287415020 /nfs/dbraw/zinc/41/50/20/287415020.db2.gz HBEDUUCUPRVXIU-UHFFFAOYSA-N 2 2 328.460 1.899 20 0 EDADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000128781372 287463692 /nfs/dbraw/zinc/46/36/92/287463692.db2.gz MSJXDVPZUYZSIE-DLBZAZTESA-N 2 2 346.475 1.525 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000124218978 222393718 /nfs/dbraw/zinc/39/37/18/222393718.db2.gz NCAQPFAJWCMNMF-ARFHVFGLSA-N 2 2 331.464 1.832 20 0 EDADLP C[NH+](C)[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000171613869 227172321 /nfs/dbraw/zinc/17/23/21/227172321.db2.gz LTDZIDYRJPWIOL-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP O=C(C[C@H]1CC[NH2+]C1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000130557696 287495159 /nfs/dbraw/zinc/49/51/59/287495159.db2.gz XVBDZNFOMHYJAW-QGZVFWFLSA-N 2 2 347.459 1.013 20 0 EDADLP CN(CC1CCOCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000153833230 287633648 /nfs/dbraw/zinc/63/36/48/287633648.db2.gz AAESQMVARFXKKC-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000657824218 452552833 /nfs/dbraw/zinc/55/28/33/452552833.db2.gz DVYMAIHUPSTJLV-ZWKOTPCHSA-N 2 2 328.497 1.765 20 0 EDADLP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000657824218 452552843 /nfs/dbraw/zinc/55/28/43/452552843.db2.gz DVYMAIHUPSTJLV-ZWKOTPCHSA-N 2 2 328.497 1.765 20 0 EDADLP CN1CCN(c2cc(NC[C@@H](c3ccco3)[NH+](C)C)nc[nH+]2)CC1=O ZINC000274370891 268129639 /nfs/dbraw/zinc/12/96/39/268129639.db2.gz QAOLSNQKYQNLRZ-ZDUSSCGKSA-N 2 2 344.419 1.063 20 0 EDADLP CC[N@H+](CCO)CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000274701799 268187453 /nfs/dbraw/zinc/18/74/53/268187453.db2.gz YDGMNGJAPYQHSM-UHFFFAOYSA-N 2 2 345.447 1.045 20 0 EDADLP CC[N@@H+](CCO)CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000274701799 268187456 /nfs/dbraw/zinc/18/74/56/268187456.db2.gz YDGMNGJAPYQHSM-UHFFFAOYSA-N 2 2 345.447 1.045 20 0 EDADLP Cc1cncc(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000275527709 268355406 /nfs/dbraw/zinc/35/54/06/268355406.db2.gz CQAJYJZURYSHKC-MRXNPFEDSA-N 2 2 339.443 1.908 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275707881 268371115 /nfs/dbraw/zinc/37/11/15/268371115.db2.gz SBANSYDDPXEXCA-ZDUSSCGKSA-N 3 2 337.387 1.641 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000275948946 268386870 /nfs/dbraw/zinc/38/68/70/268386870.db2.gz JDLFPJOYQYXCCI-GOEBONIOSA-N 2 2 325.478 1.036 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000275948946 268386871 /nfs/dbraw/zinc/38/68/71/268386871.db2.gz JDLFPJOYQYXCCI-GOEBONIOSA-N 2 2 325.478 1.036 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000279221924 268805428 /nfs/dbraw/zinc/80/54/28/268805428.db2.gz PBGFENJULCDBBN-IRXDYDNUSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000279221924 268805431 /nfs/dbraw/zinc/80/54/31/268805431.db2.gz PBGFENJULCDBBN-IRXDYDNUSA-N 2 2 345.487 1.865 20 0 EDADLP C[NH+]1CCC(CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000273218360 273033003 /nfs/dbraw/zinc/03/30/03/273033003.db2.gz MLEVHMAQWRKWFZ-UHFFFAOYSA-N 2 2 331.460 1.768 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](CO)c3cnn(C)c3)c2cc1C ZINC000275242890 273109336 /nfs/dbraw/zinc/10/93/36/273109336.db2.gz XIOBBTIPVXYQFU-RDJZCZTQSA-N 2 2 343.431 1.071 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278250003 273257103 /nfs/dbraw/zinc/25/71/03/273257103.db2.gz YJDUICLHXDYNBH-UHFFFAOYSA-N 2 2 346.475 1.777 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccn(C(F)F)n2)nc[nH+]1 ZINC000346668228 273975412 /nfs/dbraw/zinc/97/54/12/273975412.db2.gz JKCCHPOSAZVFHO-GFCCVEGCSA-N 2 2 337.378 1.869 20 0 EDADLP NC(=O)NC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284295576 274150503 /nfs/dbraw/zinc/15/05/03/274150503.db2.gz YWCNFGDSYWUDAQ-SFHVURJKSA-N 2 2 346.475 1.410 20 0 EDADLP NC(=O)NC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284295576 274150504 /nfs/dbraw/zinc/15/05/04/274150504.db2.gz YWCNFGDSYWUDAQ-SFHVURJKSA-N 2 2 346.475 1.410 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424147243 275001048 /nfs/dbraw/zinc/00/10/48/275001048.db2.gz QXHUECKHUKFGGJ-GFCCVEGCSA-N 3 2 338.375 1.036 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCC[C@H](O)C3)CC2)CC1 ZINC000422012073 276149403 /nfs/dbraw/zinc/14/94/03/276149403.db2.gz DNDIXQJSWBYGTR-WMZOPIPTSA-N 2 2 337.508 1.556 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCC[C@H](O)C3)CC2)CC1 ZINC000422012073 276149404 /nfs/dbraw/zinc/14/94/04/276149404.db2.gz DNDIXQJSWBYGTR-WMZOPIPTSA-N 2 2 337.508 1.556 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000376996260 277210114 /nfs/dbraw/zinc/21/01/14/277210114.db2.gz VNRKLSSGLNJABJ-RBUKOAKNSA-N 2 2 343.471 1.790 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000376996260 277210116 /nfs/dbraw/zinc/21/01/16/277210116.db2.gz VNRKLSSGLNJABJ-RBUKOAKNSA-N 2 2 343.471 1.790 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000376996260 277210118 /nfs/dbraw/zinc/21/01/18/277210118.db2.gz VNRKLSSGLNJABJ-RBUKOAKNSA-N 2 2 343.471 1.790 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000376996260 277210119 /nfs/dbraw/zinc/21/01/19/277210119.db2.gz VNRKLSSGLNJABJ-RBUKOAKNSA-N 2 2 343.471 1.790 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000286418983 288001014 /nfs/dbraw/zinc/00/10/14/288001014.db2.gz BELSOHAQIVIOSJ-YJBOKZPZSA-N 2 2 340.427 1.808 20 0 EDADLP C[C@@H]1c2cccn2CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179567260 278110659 /nfs/dbraw/zinc/11/06/59/278110659.db2.gz XUPHYVXBLVGOPR-OAHLLOKOSA-N 2 2 326.448 1.607 20 0 EDADLP C[C@@H]1c2cccn2CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179567260 278110660 /nfs/dbraw/zinc/11/06/60/278110660.db2.gz XUPHYVXBLVGOPR-OAHLLOKOSA-N 2 2 326.448 1.607 20 0 EDADLP C[C@H]1CCSCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364479825 278376095 /nfs/dbraw/zinc/37/60/95/278376095.db2.gz PAXWXMCBMSSLPS-LSDHHAIUSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@H]1CCSCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364479825 278376097 /nfs/dbraw/zinc/37/60/97/278376097.db2.gz PAXWXMCBMSSLPS-LSDHHAIUSA-N 2 2 340.537 1.692 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000120095699 279055261 /nfs/dbraw/zinc/05/52/61/279055261.db2.gz VJAOASXPOZWIJW-GOSISDBHSA-N 2 2 331.460 1.660 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000120095699 279055262 /nfs/dbraw/zinc/05/52/62/279055262.db2.gz VJAOASXPOZWIJW-GOSISDBHSA-N 2 2 331.460 1.660 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351850119 279085700 /nfs/dbraw/zinc/08/57/00/279085700.db2.gz HSOHHUZBZBPTTD-HOCLYGCPSA-N 2 2 346.475 1.776 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000351850119 279085702 /nfs/dbraw/zinc/08/57/02/279085702.db2.gz HSOHHUZBZBPTTD-HOCLYGCPSA-N 2 2 346.475 1.776 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000178727960 279154085 /nfs/dbraw/zinc/15/40/85/279154085.db2.gz YFEDJYFIDNTKJB-ROUUACIJSA-N 2 2 330.476 1.186 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345081233 279158000 /nfs/dbraw/zinc/15/80/00/279158000.db2.gz NGEFOPVYENNKJM-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H](C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1)CS(C)(=O)=O ZINC000365946714 279280396 /nfs/dbraw/zinc/28/03/96/279280396.db2.gz NYKYRLBSHUKDRH-CQSZACIVSA-N 2 2 325.478 1.663 20 0 EDADLP C[C@H](C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1)CS(C)(=O)=O ZINC000365946714 279280398 /nfs/dbraw/zinc/28/03/98/279280398.db2.gz NYKYRLBSHUKDRH-CQSZACIVSA-N 2 2 325.478 1.663 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000328916366 280378172 /nfs/dbraw/zinc/37/81/72/280378172.db2.gz AKOADGMBCLZVER-HLLBOEOZSA-N 2 2 332.448 1.015 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000337204265 288342069 /nfs/dbraw/zinc/34/20/69/288342069.db2.gz IRJOSGFKSRPRAF-ZIFCJYIRSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000337204265 288342073 /nfs/dbraw/zinc/34/20/73/288342073.db2.gz IRJOSGFKSRPRAF-ZIFCJYIRSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000337204265 288342075 /nfs/dbraw/zinc/34/20/75/288342075.db2.gz IRJOSGFKSRPRAF-ZIFCJYIRSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000337204265 288342077 /nfs/dbraw/zinc/34/20/77/288342077.db2.gz IRJOSGFKSRPRAF-ZIFCJYIRSA-N 2 2 349.523 1.456 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(F)c3F)CC2)CC1 ZINC000289376875 288685617 /nfs/dbraw/zinc/68/56/17/288685617.db2.gz BKCZFWULLNFEIR-UHFFFAOYSA-N 2 2 337.414 1.951 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000290027482 288824339 /nfs/dbraw/zinc/82/43/39/288824339.db2.gz RPDOTKGUHSJSJI-MSOLQXFVSA-N 2 2 331.460 1.598 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(C)c1O ZINC000290211668 288858923 /nfs/dbraw/zinc/85/89/23/288858923.db2.gz DXFIVSSHNVUDKO-KRWDZBQOSA-N 2 2 347.459 1.032 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000290487716 288906493 /nfs/dbraw/zinc/90/64/93/288906493.db2.gz VRTGFWICQQVHFD-QGZVFWFLSA-N 2 2 327.432 1.841 20 0 EDADLP C[C@@H]1[C@H](C)SCC[N@@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495857430 289027617 /nfs/dbraw/zinc/02/76/17/289027617.db2.gz HXPAYQSKUOPUHD-WWGRRREGSA-N 2 2 325.478 1.686 20 0 EDADLP C[C@@H]1[C@H](C)SCC[N@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495857430 289027619 /nfs/dbraw/zinc/02/76/19/289027619.db2.gz HXPAYQSKUOPUHD-WWGRRREGSA-N 2 2 325.478 1.686 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[N@@H+]1C ZINC000345319952 289059039 /nfs/dbraw/zinc/05/90/39/289059039.db2.gz MQRSBGDLQGOEES-VQIMIIECSA-N 2 2 344.503 1.647 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[N@H+]1C ZINC000345319952 289059044 /nfs/dbraw/zinc/05/90/44/289059044.db2.gz MQRSBGDLQGOEES-VQIMIIECSA-N 2 2 344.503 1.647 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000376921178 289068521 /nfs/dbraw/zinc/06/85/21/289068521.db2.gz UIXVMIAJVXTZRV-IRXDYDNUSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)CC1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCCC1 ZINC000369146125 289093038 /nfs/dbraw/zinc/09/30/38/289093038.db2.gz WGHHDDYXGSMRPS-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+](C)CC1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCCC1 ZINC000369146125 289093041 /nfs/dbraw/zinc/09/30/41/289093041.db2.gz WGHHDDYXGSMRPS-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292116460 289265040 /nfs/dbraw/zinc/26/50/40/289265040.db2.gz JSCXUPGGIDBEIU-HNAYVOBHSA-N 2 2 331.460 1.900 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292116460 289265043 /nfs/dbraw/zinc/26/50/43/289265043.db2.gz JSCXUPGGIDBEIU-HNAYVOBHSA-N 2 2 331.460 1.900 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292116460 289265045 /nfs/dbraw/zinc/26/50/45/289265045.db2.gz JSCXUPGGIDBEIU-HNAYVOBHSA-N 2 2 331.460 1.900 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292116460 289265047 /nfs/dbraw/zinc/26/50/47/289265047.db2.gz JSCXUPGGIDBEIU-HNAYVOBHSA-N 2 2 331.460 1.900 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000338165467 289275908 /nfs/dbraw/zinc/27/59/08/289275908.db2.gz GTZUVVNBLHGWFY-QGZVFWFLSA-N 2 2 333.476 1.386 20 0 EDADLP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[NH+]1CCSCC1 ZINC000130643712 289354654 /nfs/dbraw/zinc/35/46/54/289354654.db2.gz QPCXRRYLYGPNBF-OLZOCXBDSA-N 2 2 327.519 1.904 20 0 EDADLP O[C@@H](COCC(F)(F)F)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000292585638 289388580 /nfs/dbraw/zinc/38/85/80/289388580.db2.gz ZVDAWPHODALIPQ-QWHCGFSZSA-N 2 2 333.354 1.755 20 0 EDADLP O[C@@H](COCC(F)(F)F)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000292585638 289388582 /nfs/dbraw/zinc/38/85/82/289388582.db2.gz ZVDAWPHODALIPQ-QWHCGFSZSA-N 2 2 333.354 1.755 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[NH+](CC(C)(C)O)CC3)[nH+]c2c1 ZINC000332396213 292752729 /nfs/dbraw/zinc/75/27/29/292752729.db2.gz YRJMGNZUOFDONR-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP C[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000174711423 289875751 /nfs/dbraw/zinc/87/57/51/289875751.db2.gz DTPBDGFHXRUWAT-QGZVFWFLSA-N 2 2 338.496 1.225 20 0 EDADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354853087 293091376 /nfs/dbraw/zinc/09/13/76/293091376.db2.gz KMFADCKSTJLKCI-JYJNAYRXSA-N 2 2 326.460 1.983 20 0 EDADLP COC[C@]1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000495751376 293294368 /nfs/dbraw/zinc/29/43/68/293294368.db2.gz YSHLSJCALGZIFS-IIDMSEBBSA-N 2 2 341.496 1.942 20 0 EDADLP COC[C@]1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000495751376 293294371 /nfs/dbraw/zinc/29/43/71/293294371.db2.gz YSHLSJCALGZIFS-IIDMSEBBSA-N 2 2 341.496 1.942 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)C2 ZINC000333943763 293620480 /nfs/dbraw/zinc/62/04/80/293620480.db2.gz RITAWNCORVOIBI-HNNXBMFYSA-N 2 2 334.464 1.323 20 0 EDADLP [NH3+]C1(CNC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CCC1 ZINC000418531139 304509095 /nfs/dbraw/zinc/50/90/95/304509095.db2.gz WFXZKHNNTPTTCY-UHFFFAOYSA-N 2 2 336.436 1.005 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3cc(C)cn3)CC2)CC1 ZINC000422012389 447308014 /nfs/dbraw/zinc/30/80/14/447308014.db2.gz WHZANVFJHCDUPR-UHFFFAOYSA-N 2 2 333.480 1.210 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3cc(C)cn3)CC2)CC1 ZINC000422012389 447308019 /nfs/dbraw/zinc/30/80/19/447308019.db2.gz WHZANVFJHCDUPR-UHFFFAOYSA-N 2 2 333.480 1.210 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCCN1CCc2ccccc21 ZINC000420372621 304752793 /nfs/dbraw/zinc/75/27/93/304752793.db2.gz QGQCWODMCBHBMO-CLCXKQKWSA-N 2 2 330.476 1.141 20 0 EDADLP [NH3+]C1(CNS(=O)(=O)CCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000420474701 304763087 /nfs/dbraw/zinc/76/30/87/304763087.db2.gz YIPYMJGTHBIDDJ-UHFFFAOYSA-N 2 2 343.468 1.259 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000294496363 303115936 /nfs/dbraw/zinc/11/59/36/303115936.db2.gz YBVLSUIZLGHQLH-NVXWUHKLSA-N 2 2 341.459 1.782 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CCC[N@H+]1Cc1ccccc1 ZINC000294496363 303115938 /nfs/dbraw/zinc/11/59/38/303115938.db2.gz YBVLSUIZLGHQLH-NVXWUHKLSA-N 2 2 341.459 1.782 20 0 EDADLP C[C@]1(F)CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000295042828 303166583 /nfs/dbraw/zinc/16/65/83/303166583.db2.gz ACEVKXIPYAIEMN-SFHVURJKSA-N 2 2 334.439 1.944 20 0 EDADLP C[C@]1(F)CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000295042828 303166586 /nfs/dbraw/zinc/16/65/86/303166586.db2.gz ACEVKXIPYAIEMN-SFHVURJKSA-N 2 2 334.439 1.944 20 0 EDADLP C[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1CC(C)(C)O ZINC000295391919 303212854 /nfs/dbraw/zinc/21/28/54/303212854.db2.gz VFNHBGDKHIWYBX-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1CC(C)(C)O ZINC000295391919 303212856 /nfs/dbraw/zinc/21/28/56/303212856.db2.gz VFNHBGDKHIWYBX-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000297026286 303355444 /nfs/dbraw/zinc/35/54/44/303355444.db2.gz XGVRLFUDTMZCPH-MRXNPFEDSA-N 2 2 327.432 1.834 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000297026286 303355445 /nfs/dbraw/zinc/35/54/45/303355445.db2.gz XGVRLFUDTMZCPH-MRXNPFEDSA-N 2 2 327.432 1.834 20 0 EDADLP COc1nccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000297026286 303355446 /nfs/dbraw/zinc/35/54/46/303355446.db2.gz XGVRLFUDTMZCPH-MRXNPFEDSA-N 2 2 327.432 1.834 20 0 EDADLP COc1nccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000297026286 303355447 /nfs/dbraw/zinc/35/54/47/303355447.db2.gz XGVRLFUDTMZCPH-MRXNPFEDSA-N 2 2 327.432 1.834 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000237863038 303372190 /nfs/dbraw/zinc/37/21/90/303372190.db2.gz WDAQASLUFIRQNW-AWEZNQCLSA-N 2 2 345.365 1.544 20 0 EDADLP Nc1nc(-n2cccn2)cc(NCc2cc[nH+]c(N3CCCC3)c2)[nH+]1 ZINC000301972398 303705974 /nfs/dbraw/zinc/70/59/74/303705974.db2.gz HXPHHRGGQXOMOI-UHFFFAOYSA-N 2 2 336.403 1.852 20 0 EDADLP CCc1cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nc(C)[nH+]1 ZINC000302054343 303710359 /nfs/dbraw/zinc/71/03/59/303710359.db2.gz PUXXQBQPUIZHKB-UHFFFAOYSA-N 2 2 338.419 1.351 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000322974800 303768047 /nfs/dbraw/zinc/76/80/47/303768047.db2.gz XTMLAUAEUYQYRW-HJOIGYKYSA-N 2 2 326.481 1.935 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc(C)[nH+]1 ZINC000422413723 304863921 /nfs/dbraw/zinc/86/39/21/304863921.db2.gz RKERVRNYDJSLHT-MRXNPFEDSA-N 2 2 346.475 1.695 20 0 EDADLP O[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCCCC1 ZINC000422971627 304881952 /nfs/dbraw/zinc/88/19/52/304881952.db2.gz JIAOYUGVUKYKAQ-IMFGXOCKSA-N 3 2 345.487 1.679 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000423813732 304909781 /nfs/dbraw/zinc/90/97/81/304909781.db2.gz SGJSWXVQEDACTJ-HOTGVXAUSA-N 2 2 347.459 1.346 20 0 EDADLP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000423926303 304917795 /nfs/dbraw/zinc/91/77/95/304917795.db2.gz GVZRCIWATBVENR-XHSDSOJGSA-N 2 2 344.459 1.789 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000424995897 304944103 /nfs/dbraw/zinc/94/41/03/304944103.db2.gz CGBBCLYAVPMPNN-UHFFFAOYSA-N 2 2 330.432 1.446 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428032033 305004459 /nfs/dbraw/zinc/00/44/59/305004459.db2.gz MPHIMTXUQLJXMQ-FVQBIDKESA-N 2 2 330.432 1.085 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428032033 305004460 /nfs/dbraw/zinc/00/44/60/305004460.db2.gz MPHIMTXUQLJXMQ-FVQBIDKESA-N 2 2 330.432 1.085 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000428049826 305005805 /nfs/dbraw/zinc/00/58/05/305005805.db2.gz PRJHAKPENSWRJV-FUHWJXTLSA-N 2 2 339.443 1.172 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000428049826 305005806 /nfs/dbraw/zinc/00/58/06/305005806.db2.gz PRJHAKPENSWRJV-FUHWJXTLSA-N 2 2 339.443 1.172 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430544995 305055987 /nfs/dbraw/zinc/05/59/87/305055987.db2.gz POKMCDGRGQWRMT-OAHLLOKOSA-N 2 2 349.475 1.592 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430544995 305055988 /nfs/dbraw/zinc/05/59/88/305055988.db2.gz POKMCDGRGQWRMT-OAHLLOKOSA-N 2 2 349.475 1.592 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)C2=O)c1 ZINC000430572805 305056551 /nfs/dbraw/zinc/05/65/51/305056551.db2.gz KLTKIIDWPLHSJQ-IYOUNJFTSA-N 2 2 347.459 1.868 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)C2=O)c1 ZINC000430572805 305056552 /nfs/dbraw/zinc/05/65/52/305056552.db2.gz KLTKIIDWPLHSJQ-IYOUNJFTSA-N 2 2 347.459 1.868 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCc1ccccc1Cn1cccn1 ZINC000430572804 305056587 /nfs/dbraw/zinc/05/65/87/305056587.db2.gz OYUZOZAPWQMIPH-LJQANCHMSA-N 2 2 343.475 1.511 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)C2=O)c1 ZINC000430572807 305056673 /nfs/dbraw/zinc/05/66/73/305056673.db2.gz KLTKIIDWPLHSJQ-LBTNJELSSA-N 2 2 347.459 1.868 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)C2=O)c1 ZINC000430572807 305056674 /nfs/dbraw/zinc/05/66/74/305056674.db2.gz KLTKIIDWPLHSJQ-LBTNJELSSA-N 2 2 347.459 1.868 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)C1CC1 ZINC000430602557 305058166 /nfs/dbraw/zinc/05/81/66/305058166.db2.gz WIXQCKFEKRKBMN-HXUWFJFHSA-N 2 2 345.487 1.911 20 0 EDADLP CNC(=O)[C@@]1(C)CC[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000430778067 305064842 /nfs/dbraw/zinc/06/48/42/305064842.db2.gz ZFNPQEOTYRPHTK-KRWDZBQOSA-N 2 2 336.505 1.868 20 0 EDADLP CNC(=O)[C@@]1(C)CC[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000430778067 305064843 /nfs/dbraw/zinc/06/48/43/305064843.db2.gz ZFNPQEOTYRPHTK-KRWDZBQOSA-N 2 2 336.505 1.868 20 0 EDADLP CNC(=O)[C@@]1(C)CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000430778067 305064844 /nfs/dbraw/zinc/06/48/44/305064844.db2.gz ZFNPQEOTYRPHTK-KRWDZBQOSA-N 2 2 336.505 1.868 20 0 EDADLP CNC(=O)[C@@]1(C)CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000430778067 305064845 /nfs/dbraw/zinc/06/48/45/305064845.db2.gz ZFNPQEOTYRPHTK-KRWDZBQOSA-N 2 2 336.505 1.868 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000430852557 305065961 /nfs/dbraw/zinc/06/59/61/305065961.db2.gz DYIXOOVMXGJYMQ-GDBMZVCRSA-N 2 2 332.379 1.143 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000430943964 305069771 /nfs/dbraw/zinc/06/97/71/305069771.db2.gz RFIYMOMPWMHBFU-FUHWJXTLSA-N 2 2 333.476 1.810 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000430943964 305069772 /nfs/dbraw/zinc/06/97/72/305069772.db2.gz RFIYMOMPWMHBFU-FUHWJXTLSA-N 2 2 333.476 1.810 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@H]1[NH3+] ZINC000430958896 305070844 /nfs/dbraw/zinc/07/08/44/305070844.db2.gz ZUNICORXHAEBMZ-GOEBONIOSA-N 2 2 336.505 1.061 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@H]1[NH3+] ZINC000430958896 305070845 /nfs/dbraw/zinc/07/08/45/305070845.db2.gz ZUNICORXHAEBMZ-GOEBONIOSA-N 2 2 336.505 1.061 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000430972367 305071908 /nfs/dbraw/zinc/07/19/08/305071908.db2.gz RZIBIMHIRWYGEG-LSDHHAIUSA-N 2 2 328.460 1.756 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000430972367 305071909 /nfs/dbraw/zinc/07/19/09/305071909.db2.gz RZIBIMHIRWYGEG-LSDHHAIUSA-N 2 2 328.460 1.756 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000431009026 305072722 /nfs/dbraw/zinc/07/27/22/305072722.db2.gz VNMUEZPOPCNAGV-ZDUSSCGKSA-N 2 2 345.447 1.232 20 0 EDADLP C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)C1 ZINC000431071036 305074251 /nfs/dbraw/zinc/07/42/51/305074251.db2.gz SHRANPCEVIUZBP-ZDUSSCGKSA-N 2 2 349.479 1.734 20 0 EDADLP CCN1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433472736 305110467 /nfs/dbraw/zinc/11/04/67/305110467.db2.gz UUTIAYVYBVMMFK-OAHLLOKOSA-N 2 2 328.420 1.390 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000434092616 305117698 /nfs/dbraw/zinc/11/76/98/305117698.db2.gz QNJVTQPQCVPJGZ-DLBZAZTESA-N 2 2 340.512 1.469 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)N1CCCC1 ZINC000435389472 305139703 /nfs/dbraw/zinc/13/97/03/305139703.db2.gz MOJUQDBFDHFKLF-KRWDZBQOSA-N 2 2 331.460 1.872 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)N1CCCC1 ZINC000435389472 305139704 /nfs/dbraw/zinc/13/97/04/305139704.db2.gz MOJUQDBFDHFKLF-KRWDZBQOSA-N 2 2 331.460 1.872 20 0 EDADLP Cc1c(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)cnn1C ZINC000435568746 305142612 /nfs/dbraw/zinc/14/26/12/305142612.db2.gz PPWQEUPJMYYEKJ-OAHLLOKOSA-N 2 2 342.447 1.247 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000435987458 305150477 /nfs/dbraw/zinc/15/04/77/305150477.db2.gz YAUFNIARKDPBEH-HZPDHXFCSA-N 2 2 331.464 1.347 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000435987458 305150478 /nfs/dbraw/zinc/15/04/78/305150478.db2.gz YAUFNIARKDPBEH-HZPDHXFCSA-N 2 2 331.464 1.347 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1C ZINC000436062632 305151747 /nfs/dbraw/zinc/15/17/47/305151747.db2.gz WDSDRUIFVXAMIR-MRXNPFEDSA-N 2 2 346.475 1.561 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1C ZINC000436062632 305151748 /nfs/dbraw/zinc/15/17/48/305151748.db2.gz WDSDRUIFVXAMIR-MRXNPFEDSA-N 2 2 346.475 1.561 20 0 EDADLP CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442945241 305231590 /nfs/dbraw/zinc/23/15/90/305231590.db2.gz QNDMTHYKCOWYJR-OAHLLOKOSA-N 2 2 348.472 1.504 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442945241 305231591 /nfs/dbraw/zinc/23/15/91/305231591.db2.gz QNDMTHYKCOWYJR-OAHLLOKOSA-N 2 2 348.472 1.504 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000444454057 305248645 /nfs/dbraw/zinc/24/86/45/305248645.db2.gz LXQXYKYTCSVHGC-IYBDPMFKSA-N 2 2 331.460 1.909 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000444454057 305248646 /nfs/dbraw/zinc/24/86/46/305248646.db2.gz LXQXYKYTCSVHGC-IYBDPMFKSA-N 2 2 331.460 1.909 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000446285326 305262549 /nfs/dbraw/zinc/26/25/49/305262549.db2.gz VBCVVKOTURHDQP-NPSOMJIGSA-N 2 2 332.448 1.648 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@H]3C[N@H+](C)CCN3C)cn2)cc1 ZINC000449142616 305307648 /nfs/dbraw/zinc/30/76/48/305307648.db2.gz TYXIGKYSPSQDRU-KRWDZBQOSA-N 2 2 329.448 1.216 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@H]3C[N@@H+](C)CCN3C)cn2)cc1 ZINC000449142616 305307649 /nfs/dbraw/zinc/30/76/49/305307649.db2.gz TYXIGKYSPSQDRU-KRWDZBQOSA-N 2 2 329.448 1.216 20 0 EDADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000449243465 305309346 /nfs/dbraw/zinc/30/93/46/305309346.db2.gz KZSCHZZGKAGNNP-FXAWDEMLSA-N 3 2 331.504 1.738 20 0 EDADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000449243465 305309347 /nfs/dbraw/zinc/30/93/47/305309347.db2.gz KZSCHZZGKAGNNP-FXAWDEMLSA-N 3 2 331.504 1.738 20 0 EDADLP COc1cc(F)cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000449326440 305311564 /nfs/dbraw/zinc/31/15/64/305311564.db2.gz VUXBIAOMVNBKIQ-UHFFFAOYSA-N 2 2 349.450 1.820 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)CC1 ZINC000493778443 305626550 /nfs/dbraw/zinc/62/65/50/305626550.db2.gz BQOCHYJTNLAZQQ-ONEGZZNKSA-N 2 2 331.464 1.440 20 0 EDADLP CN1CC[NH+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000514814775 305706298 /nfs/dbraw/zinc/70/62/98/305706298.db2.gz XHTPIESAUDLDRG-QGZVFWFLSA-N 2 2 328.464 1.511 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000520549653 305780386 /nfs/dbraw/zinc/78/03/86/305780386.db2.gz XQHPNOKLCXDLPA-IGKNDFSCSA-N 2 2 337.427 1.629 20 0 EDADLP Cc1cc(=O)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c[nH]1 ZINC000524798300 305820301 /nfs/dbraw/zinc/82/03/01/305820301.db2.gz LLZBHBGFCXMPDG-UHFFFAOYSA-N 2 2 327.388 1.082 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798814 447361941 /nfs/dbraw/zinc/36/19/41/447361941.db2.gz NECGPXAIAUBJSV-DGCLKSJQSA-N 2 2 334.445 1.526 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798814 447361946 /nfs/dbraw/zinc/36/19/46/447361946.db2.gz NECGPXAIAUBJSV-DGCLKSJQSA-N 2 2 334.445 1.526 20 0 EDADLP Cc1c[nH+]cn1CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000528121716 305864747 /nfs/dbraw/zinc/86/47/47/305864747.db2.gz HUYKNHWAZSLCIG-UHFFFAOYSA-N 2 2 328.416 1.705 20 0 EDADLP Cn1cc(N2CC[C@@H]([NH+]3CCC(Nc4cccc[nH+]4)CC3)C2=O)cn1 ZINC000535576640 306014312 /nfs/dbraw/zinc/01/43/12/306014312.db2.gz QCYSGCWXDHIGBV-MRXNPFEDSA-N 2 2 340.431 1.497 20 0 EDADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c[nH+]1 ZINC000535773617 306017267 /nfs/dbraw/zinc/01/72/67/306017267.db2.gz YTRUPDNZRIOQGR-UHFFFAOYSA-N 3 2 333.480 1.610 20 0 EDADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c[nH+]1 ZINC000535773617 306017268 /nfs/dbraw/zinc/01/72/68/306017268.db2.gz YTRUPDNZRIOQGR-UHFFFAOYSA-N 3 2 333.480 1.610 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H]1c1ccccc1 ZINC000536266631 306019531 /nfs/dbraw/zinc/01/95/31/306019531.db2.gz KJZHLXLDZXWMFX-MAUKXSAKSA-N 2 2 348.410 1.838 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H]1c1ccccc1 ZINC000536266631 306019532 /nfs/dbraw/zinc/01/95/32/306019532.db2.gz KJZHLXLDZXWMFX-MAUKXSAKSA-N 2 2 348.410 1.838 20 0 EDADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547954327 306115841 /nfs/dbraw/zinc/11/58/41/306115841.db2.gz NXQUQEIGFGCEJV-SJORKVTESA-N 2 2 339.443 1.772 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547954327 306115842 /nfs/dbraw/zinc/11/58/42/306115842.db2.gz NXQUQEIGFGCEJV-SJORKVTESA-N 2 2 339.443 1.772 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000548885593 306140668 /nfs/dbraw/zinc/14/06/68/306140668.db2.gz YIUBQQFMPOJRCS-MRXNPFEDSA-N 2 2 325.416 1.330 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nc(C(C)(C)C)cs1 ZINC000554861968 306198745 /nfs/dbraw/zinc/19/87/45/306198745.db2.gz VKNQXCDZQKQZTA-KGLIPLIRSA-N 2 2 340.537 1.700 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000556770931 306217240 /nfs/dbraw/zinc/21/72/40/306217240.db2.gz HXVWVTHAFZTIMO-UHFFFAOYSA-N 2 2 331.420 1.198 20 0 EDADLP COC[C@]1(C[NH2+]Cc2ccc(O[C@H](C)C(=O)OC)cc2)CCC[NH2+]1 ZINC000414947114 447368466 /nfs/dbraw/zinc/36/84/66/447368466.db2.gz UNBXMWFIZBPRCX-RDTXWAMCSA-N 2 2 336.432 1.485 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458445491 447371543 /nfs/dbraw/zinc/37/15/43/447371543.db2.gz YRBLJIDPJXCVPQ-OAHLLOKOSA-N 2 2 337.468 1.185 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458445491 447371547 /nfs/dbraw/zinc/37/15/47/447371547.db2.gz YRBLJIDPJXCVPQ-OAHLLOKOSA-N 2 2 337.468 1.185 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000414959467 447373964 /nfs/dbraw/zinc/37/39/64/447373964.db2.gz FQNBLBZQNMFZBZ-SFHVURJKSA-N 2 2 326.444 1.654 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377817274 447372964 /nfs/dbraw/zinc/37/29/64/447372964.db2.gz RDQWPLNYZKUCPG-DLBZAZTESA-N 2 2 344.459 1.170 20 0 EDADLP CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1OC ZINC000414967695 447378440 /nfs/dbraw/zinc/37/84/40/447378440.db2.gz QTEYGLOXKAZGPM-CYBMUJFWSA-N 2 2 327.856 1.741 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CC[C@H](F)C2)([NH+]2CCCCC2)CC1 ZINC000458473597 447379488 /nfs/dbraw/zinc/37/94/88/447379488.db2.gz MFIBBMSDYXLHHW-HNNXBMFYSA-N 2 2 326.460 1.690 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCn3cccc3)CC2)CC1 ZINC000422192287 447396555 /nfs/dbraw/zinc/39/65/55/447396555.db2.gz VVMBQJZFXSPCCH-UHFFFAOYSA-N 2 2 347.507 1.690 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCn3cccc3)CC2)CC1 ZINC000422192287 447396558 /nfs/dbraw/zinc/39/65/58/447396558.db2.gz VVMBQJZFXSPCCH-UHFFFAOYSA-N 2 2 347.507 1.690 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]1CCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000426219495 447400854 /nfs/dbraw/zinc/40/08/54/447400854.db2.gz IPLKWLPLZKJFJP-SFHVURJKSA-N 2 2 331.460 1.178 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]1CCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000426219495 447400858 /nfs/dbraw/zinc/40/08/58/447400858.db2.gz IPLKWLPLZKJFJP-SFHVURJKSA-N 2 2 331.460 1.178 20 0 EDADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415300691 447405835 /nfs/dbraw/zinc/40/58/35/447405835.db2.gz ALXHVUZPQUKNQF-AWEZNQCLSA-N 2 2 340.383 1.681 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415301730 447406046 /nfs/dbraw/zinc/40/60/46/447406046.db2.gz QIXMRFGPDJLKAE-AWEZNQCLSA-N 2 2 340.383 1.633 20 0 EDADLP COC[C@@]1(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CCC[NH2+]1 ZINC000493842163 447407745 /nfs/dbraw/zinc/40/77/45/447407745.db2.gz GWZLRUSWJTVQRC-ZXYDQQDNSA-N 2 2 340.427 1.770 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000419795020 447416173 /nfs/dbraw/zinc/41/61/73/447416173.db2.gz ILBZVUHJMPLISZ-UHFFFAOYSA-N 2 2 327.388 1.021 20 0 EDADLP CS[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1[NH+](C)C ZINC000378314255 447417907 /nfs/dbraw/zinc/41/79/07/447417907.db2.gz URJFRCNPZVRPBZ-ZFWWWQNUSA-N 2 2 339.530 1.610 20 0 EDADLP CS[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1[NH+](C)C ZINC000378314255 447417910 /nfs/dbraw/zinc/41/79/10/447417910.db2.gz URJFRCNPZVRPBZ-ZFWWWQNUSA-N 2 2 339.530 1.610 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000045410486 440982143 /nfs/dbraw/zinc/98/21/43/440982143.db2.gz JGQABQHZAYOFLP-UHFFFAOYSA-N 2 2 343.475 1.536 20 0 EDADLP COCC[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000045490437 440994944 /nfs/dbraw/zinc/99/49/44/440994944.db2.gz YCTNVZZHDIGSOG-UHFFFAOYSA-N 2 2 347.463 1.155 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCn3cncn3)c2cc1C ZINC000058166163 441155649 /nfs/dbraw/zinc/15/56/49/441155649.db2.gz VWBOEAVELLBUIH-HNNXBMFYSA-N 2 2 328.420 1.285 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000105099223 441232390 /nfs/dbraw/zinc/23/23/90/441232390.db2.gz HTJAZUYTEPEKBO-GJZGRUSLSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H](C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072515780 441233854 /nfs/dbraw/zinc/23/38/54/441233854.db2.gz GYSGRKKVDASZRB-MRXNPFEDSA-N 2 2 333.476 1.865 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072515780 441233858 /nfs/dbraw/zinc/23/38/58/441233858.db2.gz GYSGRKKVDASZRB-MRXNPFEDSA-N 2 2 333.476 1.865 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccccc2Br)CC1 ZINC000048820856 441333974 /nfs/dbraw/zinc/33/39/74/441333974.db2.gz HENMTSSNXKBPGA-UHFFFAOYSA-N 2 2 326.238 1.313 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC1CC[NH+](C2CC2)CC1 ZINC000048395372 441303354 /nfs/dbraw/zinc/30/33/54/441303354.db2.gz DWRIXGXYKXNQKU-UHFFFAOYSA-N 2 2 327.432 1.803 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875537 441303746 /nfs/dbraw/zinc/30/37/46/441303746.db2.gz UXGNQMSHWVZSRS-UHFFFAOYSA-N 2 2 335.452 1.156 20 0 EDADLP C[C@@H](NC(=O)C1([NH+](C)C)Cc2ccccc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000073431184 441317228 /nfs/dbraw/zinc/31/72/28/441317228.db2.gz RQVBEQBPLPOMCM-CVEARBPZSA-N 2 2 345.487 1.311 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000106543134 441353598 /nfs/dbraw/zinc/35/35/98/441353598.db2.gz AFCIIIDCXKMMLC-KRWDZBQOSA-N 2 2 347.507 1.054 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000106543134 441353599 /nfs/dbraw/zinc/35/35/99/441353599.db2.gz AFCIIIDCXKMMLC-KRWDZBQOSA-N 2 2 347.507 1.054 20 0 EDADLP CCOC(=O)C[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C1CCCC1 ZINC000083688878 441366832 /nfs/dbraw/zinc/36/68/32/441366832.db2.gz IKAIBRRPGZKRRN-UHFFFAOYSA-N 2 2 339.480 1.395 20 0 EDADLP CCOC(=O)C[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C1CCCC1 ZINC000083688878 441366833 /nfs/dbraw/zinc/36/68/33/441366833.db2.gz IKAIBRRPGZKRRN-UHFFFAOYSA-N 2 2 339.480 1.395 20 0 EDADLP CC1(C)COCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064247461 441367095 /nfs/dbraw/zinc/36/70/95/441367095.db2.gz QKDMKFBVBDDSNQ-UHFFFAOYSA-N 2 2 331.460 1.442 20 0 EDADLP CC1(C)COCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064247461 441367099 /nfs/dbraw/zinc/36/70/99/441367099.db2.gz QKDMKFBVBDDSNQ-UHFFFAOYSA-N 2 2 331.460 1.442 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CC(=O)NC(C)(C)C)c2cc1C ZINC000051590474 441417396 /nfs/dbraw/zinc/41/73/96/441417396.db2.gz NXJDBRMVYHWWGT-OAHLLOKOSA-N 2 2 346.475 1.861 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CC(=O)NC(C)(C)C)c2cc1C ZINC000051590474 441417399 /nfs/dbraw/zinc/41/73/99/441417399.db2.gz NXJDBRMVYHWWGT-OAHLLOKOSA-N 2 2 346.475 1.861 20 0 EDADLP CO[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000074931738 441479889 /nfs/dbraw/zinc/47/98/89/441479889.db2.gz PMMQWALIVDQUMH-MRXNPFEDSA-N 2 2 328.501 1.325 20 0 EDADLP CO[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000074931738 441479892 /nfs/dbraw/zinc/47/98/92/441479892.db2.gz PMMQWALIVDQUMH-MRXNPFEDSA-N 2 2 328.501 1.325 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000074676306 441456698 /nfs/dbraw/zinc/45/66/98/441456698.db2.gz JLSVLOCXPGOFKN-UHFFFAOYSA-N 3 2 338.540 1.591 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000074676306 441456702 /nfs/dbraw/zinc/45/67/02/441456702.db2.gz JLSVLOCXPGOFKN-UHFFFAOYSA-N 3 2 338.540 1.591 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066914163 441585203 /nfs/dbraw/zinc/58/52/03/441585203.db2.gz WMAKQGANXVEXBK-BBWFWOEESA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066914163 441585207 /nfs/dbraw/zinc/58/52/07/441585207.db2.gz WMAKQGANXVEXBK-BBWFWOEESA-N 2 2 325.497 1.673 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000113513332 441612706 /nfs/dbraw/zinc/61/27/06/441612706.db2.gz PKWBIFVEZCUHSP-OAHLLOKOSA-N 2 2 337.439 1.676 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000113513332 441612711 /nfs/dbraw/zinc/61/27/11/441612711.db2.gz PKWBIFVEZCUHSP-OAHLLOKOSA-N 2 2 337.439 1.676 20 0 EDADLP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000076602081 441664988 /nfs/dbraw/zinc/66/49/88/441664988.db2.gz VWZOLCUBYZNFFJ-UHFFFAOYSA-N 2 2 344.459 1.036 20 0 EDADLP C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090102403 441620728 /nfs/dbraw/zinc/62/07/28/441620728.db2.gz WWNLKFXBMPPEEV-CQSZACIVSA-N 2 2 337.445 1.584 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CCC[N@@H+]3C)CCCC2)no1 ZINC000114074218 441634038 /nfs/dbraw/zinc/63/40/38/441634038.db2.gz IBFCMQJRNZZCKS-CQSZACIVSA-N 2 2 349.479 1.891 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CCC[N@H+]3C)CCCC2)no1 ZINC000114074218 441634042 /nfs/dbraw/zinc/63/40/42/441634042.db2.gz IBFCMQJRNZZCKS-CQSZACIVSA-N 2 2 349.479 1.891 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1C ZINC000114198392 441640543 /nfs/dbraw/zinc/64/05/43/441640543.db2.gz MOKHKDRGIODETC-OAHLLOKOSA-N 2 2 332.448 1.835 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1C ZINC000114198392 441640546 /nfs/dbraw/zinc/64/05/46/441640546.db2.gz MOKHKDRGIODETC-OAHLLOKOSA-N 2 2 332.448 1.835 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200122 441641552 /nfs/dbraw/zinc/64/15/52/441641552.db2.gz HWKCJZBULNPVOA-NWDGAFQWSA-N 2 2 331.420 1.067 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200122 441641557 /nfs/dbraw/zinc/64/15/57/441641557.db2.gz HWKCJZBULNPVOA-NWDGAFQWSA-N 2 2 331.420 1.067 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000076571454 441660207 /nfs/dbraw/zinc/66/02/07/441660207.db2.gz YFANUKIGNZIISG-MRXNPFEDSA-N 2 2 348.491 1.863 20 0 EDADLP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000158214677 441706830 /nfs/dbraw/zinc/70/68/30/441706830.db2.gz XOESAZNUVZTMNB-CABCVRRESA-N 2 2 338.452 1.887 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000077000784 441708904 /nfs/dbraw/zinc/70/89/04/441708904.db2.gz VBEUJBAVFMUCRL-GOSISDBHSA-N 2 2 349.450 1.614 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000077000784 441708907 /nfs/dbraw/zinc/70/89/07/441708907.db2.gz VBEUJBAVFMUCRL-GOSISDBHSA-N 2 2 349.450 1.614 20 0 EDADLP c1cn(-c2cc(NCC3([NH+]4CCCC4)CCOCC3)ncn2)c[nH+]1 ZINC000077217993 441735982 /nfs/dbraw/zinc/73/59/82/441735982.db2.gz YIEJCGMOQSAZIC-UHFFFAOYSA-N 2 2 328.420 1.719 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158614769 441750700 /nfs/dbraw/zinc/75/07/00/441750700.db2.gz KNAISAXNOFRAQS-WMLDXEAASA-N 2 2 330.432 1.729 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158614769 441750712 /nfs/dbraw/zinc/75/07/12/441750712.db2.gz KNAISAXNOFRAQS-WMLDXEAASA-N 2 2 330.432 1.729 20 0 EDADLP Cc1cccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc(=O)n12 ZINC000158649927 441752526 /nfs/dbraw/zinc/75/25/26/441752526.db2.gz VTHKTLHDLQBBHS-WBVHZDCISA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccc2nc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)n12 ZINC000158649927 441752532 /nfs/dbraw/zinc/75/25/32/441752532.db2.gz VTHKTLHDLQBBHS-WBVHZDCISA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc(=O)n12 ZINC000158649927 441752535 /nfs/dbraw/zinc/75/25/35/441752535.db2.gz VTHKTLHDLQBBHS-WBVHZDCISA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc(=O)n12 ZINC000158649927 441752541 /nfs/dbraw/zinc/75/25/41/441752541.db2.gz VTHKTLHDLQBBHS-WBVHZDCISA-N 2 2 326.444 1.919 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077349018 441761243 /nfs/dbraw/zinc/76/12/43/441761243.db2.gz OEIRPOBBGKRQQO-INIZCTEOSA-N 2 2 349.479 1.463 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1ccco1 ZINC000042334484 441725399 /nfs/dbraw/zinc/72/53/99/441725399.db2.gz GMXFNKKBJQXLKN-OAHLLOKOSA-N 2 2 328.416 1.844 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccco1 ZINC000042334484 441725407 /nfs/dbraw/zinc/72/54/07/441725407.db2.gz GMXFNKKBJQXLKN-OAHLLOKOSA-N 2 2 328.416 1.844 20 0 EDADLP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000068329361 441777283 /nfs/dbraw/zinc/77/72/83/441777283.db2.gz VCJHTMAEHOKMJK-UHFFFAOYSA-N 2 2 346.431 1.680 20 0 EDADLP CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000121797104 441783239 /nfs/dbraw/zinc/78/32/39/441783239.db2.gz ZBEYDNHXDSKVTC-HNNXBMFYSA-N 2 2 341.459 1.733 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124328189 441917956 /nfs/dbraw/zinc/91/79/56/441917956.db2.gz KIFHQQSWWLQQNV-UHFFFAOYSA-N 2 2 330.432 1.668 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124328189 441917962 /nfs/dbraw/zinc/91/79/62/441917962.db2.gz KIFHQQSWWLQQNV-UHFFFAOYSA-N 2 2 330.432 1.668 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)Nc3nccs3)C2)CC1 ZINC000174885111 441978607 /nfs/dbraw/zinc/97/86/07/441978607.db2.gz XKASCSVMXORJSR-AWEZNQCLSA-N 2 2 337.493 1.184 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)Nc3nccs3)C2)CC1 ZINC000174885111 441978610 /nfs/dbraw/zinc/97/86/10/441978610.db2.gz XKASCSVMXORJSR-AWEZNQCLSA-N 2 2 337.493 1.184 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000175075824 442001639 /nfs/dbraw/zinc/00/16/39/442001639.db2.gz BGNPGTNPYIILTO-UHFFFAOYSA-N 2 2 330.436 1.932 20 0 EDADLP c1cc2n(n1)C[C@@H](C[NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CN2 ZINC000069592424 441983604 /nfs/dbraw/zinc/98/36/04/441983604.db2.gz QAHPYSFMYKBGGO-SFHVURJKSA-N 2 2 341.459 1.547 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000120078257 442004630 /nfs/dbraw/zinc/00/46/30/442004630.db2.gz BQHFANHAKCVOKL-CVEARBPZSA-N 2 2 339.505 1.074 20 0 EDADLP Cc1ccc(C(N)=O)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175288168 442032754 /nfs/dbraw/zinc/03/27/54/442032754.db2.gz ZHCWWEPXODJESH-UHFFFAOYSA-N 2 2 347.463 1.241 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000162221719 442075219 /nfs/dbraw/zinc/07/52/19/442075219.db2.gz LTCMHICMBIPPRH-GOSISDBHSA-N 2 2 349.450 1.833 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000162221719 442075226 /nfs/dbraw/zinc/07/52/26/442075226.db2.gz LTCMHICMBIPPRH-GOSISDBHSA-N 2 2 349.450 1.833 20 0 EDADLP CCc1nncn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000151537704 442080332 /nfs/dbraw/zinc/08/03/32/442080332.db2.gz HGGXDUCXOBRZER-DOTOQJQBSA-N 2 2 328.464 1.736 20 0 EDADLP CCc1nncn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000151537704 442080336 /nfs/dbraw/zinc/08/03/36/442080336.db2.gz HGGXDUCXOBRZER-DOTOQJQBSA-N 2 2 328.464 1.736 20 0 EDADLP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000162353067 442085328 /nfs/dbraw/zinc/08/53/28/442085328.db2.gz GPQNTCZQZYVIKL-KRWDZBQOSA-N 2 2 347.459 1.615 20 0 EDADLP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000162353067 442085333 /nfs/dbraw/zinc/08/53/33/442085333.db2.gz GPQNTCZQZYVIKL-KRWDZBQOSA-N 2 2 347.459 1.615 20 0 EDADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000175770795 442119350 /nfs/dbraw/zinc/11/93/50/442119350.db2.gz QIPKCBQAQQPFRR-INIZCTEOSA-N 2 2 349.475 1.840 20 0 EDADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000175770795 442119352 /nfs/dbraw/zinc/11/93/52/442119352.db2.gz QIPKCBQAQQPFRR-INIZCTEOSA-N 2 2 349.475 1.840 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)cc1F ZINC000079997558 442105033 /nfs/dbraw/zinc/10/50/33/442105033.db2.gz HSTATHOPMLGOEU-YVEFUNNKSA-N 2 2 346.406 1.828 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000079997558 442105038 /nfs/dbraw/zinc/10/50/38/442105038.db2.gz HSTATHOPMLGOEU-YVEFUNNKSA-N 2 2 346.406 1.828 20 0 EDADLP Cc1cccc(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175701320 442108042 /nfs/dbraw/zinc/10/80/42/442108042.db2.gz POSYQQDZKKUMDB-UHFFFAOYSA-N 2 2 332.492 1.863 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[N@@H+]1C1CC1 ZINC000121153808 442183845 /nfs/dbraw/zinc/18/38/45/442183845.db2.gz QVMGKYYCULFWND-OLZOCXBDSA-N 2 2 343.518 1.583 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[N@H+]1C1CC1 ZINC000121153808 442183848 /nfs/dbraw/zinc/18/38/48/442183848.db2.gz QVMGKYYCULFWND-OLZOCXBDSA-N 2 2 343.518 1.583 20 0 EDADLP CC(C)[NH2+]CCC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000163948245 442186703 /nfs/dbraw/zinc/18/67/03/442186703.db2.gz QNYYUAICKMAMIL-UHFFFAOYSA-N 2 2 329.448 1.367 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164562294 442199089 /nfs/dbraw/zinc/19/90/89/442199089.db2.gz NUPQLLTVKGBBGK-MRXNPFEDSA-N 2 2 342.447 1.979 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000163234055 442152047 /nfs/dbraw/zinc/15/20/47/442152047.db2.gz OELAXTJTRFWDEL-GOSISDBHSA-N 2 2 333.476 1.778 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000163234055 442152051 /nfs/dbraw/zinc/15/20/51/442152051.db2.gz OELAXTJTRFWDEL-GOSISDBHSA-N 2 2 333.476 1.778 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000170681338 442247973 /nfs/dbraw/zinc/24/79/73/442247973.db2.gz AKSKVKWWNJQBIO-UHFFFAOYSA-N 2 2 332.448 1.233 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000170827273 442269823 /nfs/dbraw/zinc/26/98/23/442269823.db2.gz JQUZWQDRUJEBHN-HOTGVXAUSA-N 2 2 345.422 1.994 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000153424473 442282056 /nfs/dbraw/zinc/28/20/56/442282056.db2.gz UICXYRMHGOTBLI-QZWWFDLISA-N 2 2 336.480 1.769 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(Br)c[nH]2)CC1 ZINC000177113194 442298573 /nfs/dbraw/zinc/29/85/73/442298573.db2.gz RHFZFBPNTQSPNH-UHFFFAOYSA-N 2 2 343.269 1.533 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)cc1 ZINC000129048343 442299654 /nfs/dbraw/zinc/29/96/54/442299654.db2.gz RRSKWIKGCWTEEN-UHFFFAOYSA-N 2 2 340.265 1.655 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)cc1 ZINC000129048343 442299655 /nfs/dbraw/zinc/29/96/55/442299655.db2.gz RRSKWIKGCWTEEN-UHFFFAOYSA-N 2 2 340.265 1.655 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)[N@@H+](C)C1CC1 ZINC000129163276 442304165 /nfs/dbraw/zinc/30/41/65/442304165.db2.gz BOZVKNPRFQAJAF-GJZGRUSLSA-N 2 2 331.464 1.832 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3cscn3)CC2)CC1 ZINC000171291568 442339188 /nfs/dbraw/zinc/33/91/88/442339188.db2.gz ZUDVOEBKNIWOPB-UHFFFAOYSA-N 2 2 336.505 1.751 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177426343 442339808 /nfs/dbraw/zinc/33/98/08/442339808.db2.gz GARDVPKJVJOGEF-KRWDZBQOSA-N 2 2 331.464 1.932 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129205134 442306405 /nfs/dbraw/zinc/30/64/05/442306405.db2.gz FYMGQQILOPJZCA-ZWKOTPCHSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129205134 442306407 /nfs/dbraw/zinc/30/64/07/442306407.db2.gz FYMGQQILOPJZCA-ZWKOTPCHSA-N 2 2 345.487 1.860 20 0 EDADLP COc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000155508861 442403561 /nfs/dbraw/zinc/40/35/61/442403561.db2.gz UFHKQQKBMCZGBN-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP COc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000155508861 442403563 /nfs/dbraw/zinc/40/35/63/442403563.db2.gz UFHKQQKBMCZGBN-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000155576743 442409804 /nfs/dbraw/zinc/40/98/04/442409804.db2.gz FJOOAAACGUSLNZ-JZXOWHBKSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000155576743 442409807 /nfs/dbraw/zinc/40/98/07/442409807.db2.gz FJOOAAACGUSLNZ-JZXOWHBKSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000155576743 442409810 /nfs/dbraw/zinc/40/98/10/442409810.db2.gz FJOOAAACGUSLNZ-JZXOWHBKSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000155576743 442409812 /nfs/dbraw/zinc/40/98/12/442409812.db2.gz FJOOAAACGUSLNZ-JZXOWHBKSA-N 2 2 331.460 1.438 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)CC1 ZINC000155673546 442418026 /nfs/dbraw/zinc/41/80/26/442418026.db2.gz KQOZUIMORUFDQP-GOSISDBHSA-N 3 2 340.475 1.479 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)CC1 ZINC000155673546 442418029 /nfs/dbraw/zinc/41/80/29/442418029.db2.gz KQOZUIMORUFDQP-GOSISDBHSA-N 3 2 340.475 1.479 20 0 EDADLP C[C@@H](CNC(=O)c1csc(C[NH3+])n1)[N@@H+]1CCc2sccc2C1 ZINC000178713549 442460677 /nfs/dbraw/zinc/46/06/77/442460677.db2.gz AMDMYKJZPHNSAS-JTQLQIEISA-N 2 2 336.486 1.840 20 0 EDADLP C[C@@H](CNC(=O)c1csc(C[NH3+])n1)[N@H+]1CCc2sccc2C1 ZINC000178713549 442460684 /nfs/dbraw/zinc/46/06/84/442460684.db2.gz AMDMYKJZPHNSAS-JTQLQIEISA-N 2 2 336.486 1.840 20 0 EDADLP CC(C)[NH+](CCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)C(C)C ZINC000186119810 442466544 /nfs/dbraw/zinc/46/65/44/442466544.db2.gz RYDGGDMCLFUISD-UHFFFAOYSA-N 2 2 348.495 1.676 20 0 EDADLP CC(C)[NH+](CCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)C(C)C ZINC000186119810 442466553 /nfs/dbraw/zinc/46/65/53/442466553.db2.gz RYDGGDMCLFUISD-UHFFFAOYSA-N 2 2 348.495 1.676 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccncc1 ZINC000156436980 442480339 /nfs/dbraw/zinc/48/03/39/442480339.db2.gz FMHYTPMYGMXBOB-MRXNPFEDSA-N 2 2 326.448 1.735 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000156928513 442534419 /nfs/dbraw/zinc/53/44/19/442534419.db2.gz SNNDXMJANNYLNQ-DOTOQJQBSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@H+]1Cc1ccccc1 ZINC000156928513 442534423 /nfs/dbraw/zinc/53/44/23/442534423.db2.gz SNNDXMJANNYLNQ-DOTOQJQBSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1Cc1ccccc1 ZINC000156928513 442534428 /nfs/dbraw/zinc/53/44/28/442534428.db2.gz SNNDXMJANNYLNQ-DOTOQJQBSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1Cc1ccccc1 ZINC000156928513 442534431 /nfs/dbraw/zinc/53/44/31/442534431.db2.gz SNNDXMJANNYLNQ-DOTOQJQBSA-N 2 2 344.459 1.523 20 0 EDADLP CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000172754588 442534820 /nfs/dbraw/zinc/53/48/20/442534820.db2.gz RCVINNFPMVPOKM-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000172754588 442534824 /nfs/dbraw/zinc/53/48/24/442534824.db2.gz RCVINNFPMVPOKM-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP Cc1nn(C)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172754546 442534844 /nfs/dbraw/zinc/53/48/44/442534844.db2.gz JVCXDQWNIYTTOL-UHFFFAOYSA-N 2 2 333.480 1.409 20 0 EDADLP C[C@H](c1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1)[NH+]1CCOCC1 ZINC000172783803 442541834 /nfs/dbraw/zinc/54/18/34/442541834.db2.gz FUTQPKTXQJNLBF-RHSMWYFYSA-N 2 2 333.432 1.349 20 0 EDADLP C[C@H](c1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1)[NH+]1CCOCC1 ZINC000172783803 442541839 /nfs/dbraw/zinc/54/18/39/442541839.db2.gz FUTQPKTXQJNLBF-RHSMWYFYSA-N 2 2 333.432 1.349 20 0 EDADLP Cc1noc(C)c1[C@H](C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000157560739 442592877 /nfs/dbraw/zinc/59/28/77/442592877.db2.gz QQZPOEFFFJZSHT-CYBMUJFWSA-N 2 2 336.480 1.927 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000157261169 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342.443 1.468 20 0 EDADLP COC(=O)[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+](C)C1 ZINC000411922548 319214991 /nfs/dbraw/zinc/21/49/91/319214991.db2.gz UVAJJNCCBVFBHS-KRWDZBQOSA-N 2 2 342.443 1.468 20 0 EDADLP CC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](O)C(C)C ZINC000413403914 319267467 /nfs/dbraw/zinc/26/74/67/319267467.db2.gz OCNTXEWEUFZBAY-CVEARBPZSA-N 2 2 328.501 1.107 20 0 EDADLP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000414083476 319316139 /nfs/dbraw/zinc/31/61/39/319316139.db2.gz WEYKLDJRNGLRHR-RDJZCZTQSA-N 2 2 348.491 1.554 20 0 EDADLP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cn1 ZINC000414083476 319316141 /nfs/dbraw/zinc/31/61/41/319316141.db2.gz WEYKLDJRNGLRHR-RDJZCZTQSA-N 2 2 348.491 1.554 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000264401750 443278321 /nfs/dbraw/zinc/27/83/21/443278321.db2.gz GCLFNVKHCIAQFO-OAHLLOKOSA-N 2 2 327.432 1.238 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416911951 319472526 /nfs/dbraw/zinc/47/25/26/319472526.db2.gz JAWOZZRYECXZGL-QGZVFWFLSA-N 2 2 327.432 1.873 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417266695 319488849 /nfs/dbraw/zinc/48/88/49/319488849.db2.gz FNBBFVLXRYCDAY-GXTWGEPZSA-N 2 2 331.395 1.890 20 0 EDADLP Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)nc(-c2cccnc2)[nH+]1 ZINC000264600373 443341766 /nfs/dbraw/zinc/34/17/66/443341766.db2.gz NFWMDHVCLYTLEX-HNNXBMFYSA-N 2 2 340.431 1.599 20 0 EDADLP Cc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)nc(-c2cccnc2)[nH+]1 ZINC000264600373 443341771 /nfs/dbraw/zinc/34/17/71/443341771.db2.gz NFWMDHVCLYTLEX-HNNXBMFYSA-N 2 2 340.431 1.599 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)NCC3([NH3+])CCCCC3)cn2c1 ZINC000418850014 319523343 /nfs/dbraw/zinc/52/33/43/319523343.db2.gz PUTFUTXRMDYLPD-UHFFFAOYSA-N 2 2 343.431 1.037 20 0 EDADLP CC[N@H+](CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000269669050 443387793 /nfs/dbraw/zinc/38/77/93/443387793.db2.gz QUPZITVROISMBN-INIZCTEOSA-N 2 2 345.491 1.193 20 0 EDADLP CC[N@@H+](CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000269669050 443387797 /nfs/dbraw/zinc/38/77/97/443387797.db2.gz QUPZITVROISMBN-INIZCTEOSA-N 2 2 345.491 1.193 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@]3([NH+](C)C)CCSC3)cn2c1 ZINC000267157561 443361572 /nfs/dbraw/zinc/36/15/72/443361572.db2.gz ISNHBUPSRYELHF-KRWDZBQOSA-N 2 2 347.488 1.879 20 0 EDADLP CO[C@@](C)(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000267246360 443392438 /nfs/dbraw/zinc/39/24/38/443392438.db2.gz LQBCQIAVWDOPBU-LJQANCHMSA-N 2 2 333.476 1.690 20 0 EDADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000269627679 443370170 /nfs/dbraw/zinc/37/01/70/443370170.db2.gz VIBHMEODBQROOZ-GOSISDBHSA-N 2 2 342.443 1.508 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCc3ccccc3C2)CC1 ZINC000267313507 443414702 /nfs/dbraw/zinc/41/47/02/443414702.db2.gz MOMOVQSPDKWLTA-GOSISDBHSA-N 2 2 344.503 1.869 20 0 EDADLP CC(C)(C)[N@@H+](CC(N)=O)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278736938 443419822 /nfs/dbraw/zinc/41/98/22/443419822.db2.gz WEOYWEIRCMWNRS-QGZVFWFLSA-N 2 2 333.476 1.863 20 0 EDADLP CC(C)(C)[N@H+](CC(N)=O)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278736938 443419824 /nfs/dbraw/zinc/41/98/24/443419824.db2.gz WEOYWEIRCMWNRS-QGZVFWFLSA-N 2 2 333.476 1.863 20 0 EDADLP CC(C)(C)[NH+](CC(N)=O)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278736938 443419825 /nfs/dbraw/zinc/41/98/25/443419825.db2.gz WEOYWEIRCMWNRS-QGZVFWFLSA-N 2 2 333.476 1.863 20 0 EDADLP CC(C)(C)[NH+](CC(N)=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278736938 443419827 /nfs/dbraw/zinc/41/98/27/443419827.db2.gz WEOYWEIRCMWNRS-QGZVFWFLSA-N 2 2 333.476 1.863 20 0 EDADLP C[C@H]1OCC[C@]1(O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000278689513 443402718 /nfs/dbraw/zinc/40/27/18/443402718.db2.gz ITXOFJLFNNMXBJ-BZNIZROVSA-N 2 2 326.360 1.162 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC[NH+]1CCSCC1 ZINC000264751334 443406249 /nfs/dbraw/zinc/40/62/49/443406249.db2.gz AZCINMPJOUXWBU-UHFFFAOYSA-N 2 2 332.473 1.764 20 0 EDADLP Cc1c(Cl)c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)nn1C ZINC000421325902 319689932 /nfs/dbraw/zinc/68/99/32/319689932.db2.gz MQEDQABEPKYGIY-UHFFFAOYSA-N 2 2 348.882 1.819 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000267460794 443465466 /nfs/dbraw/zinc/46/54/66/443465466.db2.gz UYSZIGDGWRAVPA-DZGCQCFKSA-N 2 2 348.447 1.389 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000267460794 443465468 /nfs/dbraw/zinc/46/54/68/443465468.db2.gz UYSZIGDGWRAVPA-DZGCQCFKSA-N 2 2 348.447 1.389 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000279134191 443518280 /nfs/dbraw/zinc/51/82/80/443518280.db2.gz FHVKHUNMASYFQK-UHFFFAOYSA-N 2 2 328.416 1.856 20 0 EDADLP CCOC(=O)[C@@H](C)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279170386 443523815 /nfs/dbraw/zinc/52/38/15/443523815.db2.gz ABMPYBDYTNXSNG-RDBSUJKOSA-N 2 2 326.416 1.216 20 0 EDADLP CCOC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279170386 443523817 /nfs/dbraw/zinc/52/38/17/443523817.db2.gz ABMPYBDYTNXSNG-RDBSUJKOSA-N 2 2 326.416 1.216 20 0 EDADLP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423772329 319814563 /nfs/dbraw/zinc/81/45/63/319814563.db2.gz JWDJIUIIQNNVKE-GOSISDBHSA-N 2 2 339.443 1.269 20 0 EDADLP Cc1ccccc1[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000283252507 443576497 /nfs/dbraw/zinc/57/64/97/443576497.db2.gz VKHYOZWFDRBMJX-IEBWSBKVSA-N 2 2 345.487 1.921 20 0 EDADLP Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000283252507 443576501 /nfs/dbraw/zinc/57/65/01/443576501.db2.gz VKHYOZWFDRBMJX-IEBWSBKVSA-N 2 2 345.487 1.921 20 0 EDADLP C[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000265398537 443628338 /nfs/dbraw/zinc/62/83/38/443628338.db2.gz HLZIOMIMEFVYJH-KRWDZBQOSA-N 2 2 333.476 1.736 20 0 EDADLP C[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000265398537 443628342 /nfs/dbraw/zinc/62/83/42/443628342.db2.gz HLZIOMIMEFVYJH-KRWDZBQOSA-N 2 2 333.476 1.736 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000265419480 443636647 /nfs/dbraw/zinc/63/66/47/443636647.db2.gz IHQJFRDNOFSPSU-UHFFFAOYSA-N 2 2 346.479 1.701 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000265419480 443636649 /nfs/dbraw/zinc/63/66/49/443636649.db2.gz IHQJFRDNOFSPSU-UHFFFAOYSA-N 2 2 346.479 1.701 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272335199 443595487 /nfs/dbraw/zinc/59/54/87/443595487.db2.gz NMBZHVSMSGUWRX-GDBMZVCRSA-N 2 2 325.416 1.966 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272335199 443595491 /nfs/dbraw/zinc/59/54/91/443595491.db2.gz NMBZHVSMSGUWRX-GDBMZVCRSA-N 2 2 325.416 1.966 20 0 EDADLP CCCn1ncnc1CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000447888467 320146231 /nfs/dbraw/zinc/14/62/31/320146231.db2.gz KPIIYYUUXDJNJT-UHFFFAOYSA-N 2 2 334.512 1.679 20 0 EDADLP COc1nccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000449037404 320175915 /nfs/dbraw/zinc/17/59/15/320175915.db2.gz MYFMNJXQVKZIHM-UHFFFAOYSA-N 2 2 333.480 1.476 20 0 EDADLP COc1nccc(CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000449037404 320175917 /nfs/dbraw/zinc/17/59/17/320175917.db2.gz MYFMNJXQVKZIHM-UHFFFAOYSA-N 2 2 333.480 1.476 20 0 EDADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394265 320187867 /nfs/dbraw/zinc/18/78/67/320187867.db2.gz NKIUZNFOYZONAS-MJGOQNOKSA-N 2 2 347.503 1.560 20 0 EDADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394265 320187869 /nfs/dbraw/zinc/18/78/69/320187869.db2.gz NKIUZNFOYZONAS-MJGOQNOKSA-N 2 2 347.503 1.560 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449398898 320189043 /nfs/dbraw/zinc/18/90/43/320189043.db2.gz WWAHPROLCMWOMY-PKOBYXMFSA-N 2 2 347.503 1.560 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449398898 320189046 /nfs/dbraw/zinc/18/90/46/320189046.db2.gz WWAHPROLCMWOMY-PKOBYXMFSA-N 2 2 347.503 1.560 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000449470871 320192041 /nfs/dbraw/zinc/19/20/41/320192041.db2.gz LJQWEMMVMZVEDK-XJKSGUPXSA-N 2 2 325.478 1.367 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000449470871 320192042 /nfs/dbraw/zinc/19/20/42/320192042.db2.gz LJQWEMMVMZVEDK-XJKSGUPXSA-N 2 2 325.478 1.367 20 0 EDADLP CCC[C@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000454457402 320289116 /nfs/dbraw/zinc/28/91/16/320289116.db2.gz OMFAHKLCWVKOPD-QGZVFWFLSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H](C(=O)NCCCC[NH+](C)C1CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000457174784 320322005 /nfs/dbraw/zinc/32/20/05/320322005.db2.gz WTBYLPXPSPTAJN-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NCCCC[NH+](C)C1CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000457174784 320322006 /nfs/dbraw/zinc/32/20/06/320322006.db2.gz WTBYLPXPSPTAJN-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCO[C@@H](CC)C1 ZINC000457174784 320322007 /nfs/dbraw/zinc/32/20/07/320322007.db2.gz WTBYLPXPSPTAJN-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCO[C@@H](CC)C1 ZINC000457174784 320322008 /nfs/dbraw/zinc/32/20/08/320322008.db2.gz WTBYLPXPSPTAJN-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000457456370 320326543 /nfs/dbraw/zinc/32/65/43/320326543.db2.gz KFWALCXBZWNMCA-HNNXBMFYSA-N 2 2 331.420 1.692 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)C1 ZINC000492892238 320390172 /nfs/dbraw/zinc/39/01/72/320390172.db2.gz GPHKIKKLNWLLGP-GFOMBABLSA-N 2 2 331.460 1.516 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)C1 ZINC000492892238 320390173 /nfs/dbraw/zinc/39/01/73/320390173.db2.gz GPHKIKKLNWLLGP-GFOMBABLSA-N 2 2 331.460 1.516 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000492911742 320390921 /nfs/dbraw/zinc/39/09/21/320390921.db2.gz MPZUCHSGZMBVJM-PLNGDYQASA-N 2 2 326.400 1.572 20 0 EDADLP CC1(C)CN(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C(=O)O1 ZINC000495729657 320398457 /nfs/dbraw/zinc/39/84/57/320398457.db2.gz MSWCGGKOPFHTCR-UHFFFAOYSA-N 2 2 325.453 1.609 20 0 EDADLP c1c[nH+]c([C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccnc2)[nH]1 ZINC000530321164 320620605 /nfs/dbraw/zinc/62/06/05/320620605.db2.gz VFSBGQPSFLEFQA-YJBOKZPZSA-N 2 2 341.459 1.985 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CCO1 ZINC000298569771 443802858 /nfs/dbraw/zinc/80/28/58/443802858.db2.gz WWUFEYMVJFEZRN-SJLPKXTDSA-N 2 2 332.492 1.247 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000298569771 443802862 /nfs/dbraw/zinc/80/28/62/443802862.db2.gz WWUFEYMVJFEZRN-SJLPKXTDSA-N 2 2 332.492 1.247 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293002786 443900620 /nfs/dbraw/zinc/90/06/20/443900620.db2.gz OYWSSUDRDWUCPQ-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293002786 443900625 /nfs/dbraw/zinc/90/06/25/443900625.db2.gz OYWSSUDRDWUCPQ-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293002786 443900630 /nfs/dbraw/zinc/90/06/30/443900630.db2.gz OYWSSUDRDWUCPQ-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293002786 443900638 /nfs/dbraw/zinc/90/06/38/443900638.db2.gz OYWSSUDRDWUCPQ-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292862147 443862839 /nfs/dbraw/zinc/86/28/39/443862839.db2.gz CNKADQJTRKJEFW-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292862147 443862843 /nfs/dbraw/zinc/86/28/43/443862843.db2.gz CNKADQJTRKJEFW-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292862147 443862849 /nfs/dbraw/zinc/86/28/49/443862849.db2.gz CNKADQJTRKJEFW-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292862147 443862853 /nfs/dbraw/zinc/86/28/53/443862853.db2.gz CNKADQJTRKJEFW-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000292915702 443877592 /nfs/dbraw/zinc/87/75/92/443877592.db2.gz JPWLVLHWGDLRJD-HNNXBMFYSA-N 2 2 327.432 1.929 20 0 EDADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000292915702 443877594 /nfs/dbraw/zinc/87/75/94/443877594.db2.gz JPWLVLHWGDLRJD-HNNXBMFYSA-N 2 2 327.432 1.929 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000293135655 443934582 /nfs/dbraw/zinc/93/45/82/443934582.db2.gz NEFLONAJNWHYPT-LJQANCHMSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000293135655 443934587 /nfs/dbraw/zinc/93/45/87/443934587.db2.gz NEFLONAJNWHYPT-LJQANCHMSA-N 2 2 345.487 1.486 20 0 EDADLP COCC[N@H+](C)CCC[NH2+]Cc1ccnn1-c1ccccc1OC ZINC000281687749 443979248 /nfs/dbraw/zinc/97/92/48/443979248.db2.gz PAAXJKOVOMBXJT-UHFFFAOYSA-N 2 2 332.448 1.939 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccnn1-c1ccccc1OC ZINC000281687749 443979252 /nfs/dbraw/zinc/97/92/52/443979252.db2.gz PAAXJKOVOMBXJT-UHFFFAOYSA-N 2 2 332.448 1.939 20 0 EDADLP CCOC(=O)c1csc(C[N@H+](C)CCCN(C)CC[NH+](C)C)n1 ZINC000293369756 443997658 /nfs/dbraw/zinc/99/76/58/443997658.db2.gz OXZSPXTVUQZCIK-UHFFFAOYSA-N 2 2 342.509 1.635 20 0 EDADLP CCOC(=O)c1csc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)n1 ZINC000293369756 443997661 /nfs/dbraw/zinc/99/76/61/443997661.db2.gz OXZSPXTVUQZCIK-UHFFFAOYSA-N 2 2 342.509 1.635 20 0 EDADLP COCCOCC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000289071745 444047212 /nfs/dbraw/zinc/04/72/12/444047212.db2.gz SDOFHVQRXGPOOG-LJQANCHMSA-N 2 2 336.476 1.872 20 0 EDADLP COCCOCC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000289071745 444047217 /nfs/dbraw/zinc/04/72/17/444047217.db2.gz SDOFHVQRXGPOOG-LJQANCHMSA-N 2 2 336.476 1.872 20 0 EDADLP COCCOCC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000289071745 444047220 /nfs/dbraw/zinc/04/72/20/444047220.db2.gz SDOFHVQRXGPOOG-LJQANCHMSA-N 2 2 336.476 1.872 20 0 EDADLP COCCOCC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000289071745 444047223 /nfs/dbraw/zinc/04/72/23/444047223.db2.gz SDOFHVQRXGPOOG-LJQANCHMSA-N 2 2 336.476 1.872 20 0 EDADLP CC[N@H+](C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000299291790 444008551 /nfs/dbraw/zinc/00/85/51/444008551.db2.gz RJLQFOKCRSGGEI-HNNXBMFYSA-N 2 2 333.411 1.900 20 0 EDADLP CC[N@@H+](C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000299291790 444008555 /nfs/dbraw/zinc/00/85/55/444008555.db2.gz RJLQFOKCRSGGEI-HNNXBMFYSA-N 2 2 333.411 1.900 20 0 EDADLP CC1(C)C[NH+](CC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000553371198 320940398 /nfs/dbraw/zinc/94/03/98/320940398.db2.gz CUWMAVQAHPIDBX-UHFFFAOYSA-N 2 2 331.460 1.842 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)[C@H]2C1 ZINC000285674496 444069568 /nfs/dbraw/zinc/06/95/68/444069568.db2.gz HIJLZJAIBLNPJC-ROUUACIJSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)[C@H]2C1 ZINC000285674496 444069571 /nfs/dbraw/zinc/06/95/71/444069571.db2.gz HIJLZJAIBLNPJC-ROUUACIJSA-N 2 2 340.427 1.477 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCC1CC[NH2+]CC1 ZINC000561125497 321034002 /nfs/dbraw/zinc/03/40/02/321034002.db2.gz XRHRDOWAYAWEGH-UHFFFAOYSA-N 2 2 341.459 1.773 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)ccc21 ZINC000562557214 321063413 /nfs/dbraw/zinc/06/34/13/321063413.db2.gz FRWDJGWYUUFLRF-KRWDZBQOSA-N 2 2 339.443 1.629 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)ccc21 ZINC000562557214 321063414 /nfs/dbraw/zinc/06/34/14/321063414.db2.gz FRWDJGWYUUFLRF-KRWDZBQOSA-N 2 2 339.443 1.629 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000565039729 321165518 /nfs/dbraw/zinc/16/55/18/321165518.db2.gz BSGNMMWHEXOXDM-QAPCUYQASA-N 2 2 330.476 1.761 20 0 EDADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565240475 321178379 /nfs/dbraw/zinc/17/83/79/321178379.db2.gz XACMBTHZOQWVTL-HONMWMINSA-N 2 2 338.249 1.754 20 0 EDADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565240475 321178381 /nfs/dbraw/zinc/17/83/81/321178381.db2.gz XACMBTHZOQWVTL-HONMWMINSA-N 2 2 338.249 1.754 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ncc(Cc3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000565997783 321209503 /nfs/dbraw/zinc/20/95/03/321209503.db2.gz YSSYFEXYSWYSTC-CQSZACIVSA-N 2 2 345.472 1.841 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ncc(Cc3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000565997783 321209505 /nfs/dbraw/zinc/20/95/05/321209505.db2.gz YSSYFEXYSWYSTC-CQSZACIVSA-N 2 2 345.472 1.841 20 0 EDADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566111568 321216442 /nfs/dbraw/zinc/21/64/42/321216442.db2.gz DFUWMKGPMIWMBQ-NBMJBFSESA-N 2 2 336.476 1.304 20 0 EDADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566111568 321216444 /nfs/dbraw/zinc/21/64/44/321216444.db2.gz DFUWMKGPMIWMBQ-NBMJBFSESA-N 2 2 336.476 1.304 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000289293804 444098814 /nfs/dbraw/zinc/09/88/14/444098814.db2.gz AHSIEDQOBAXTTI-HUUCEWRRSA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000289293804 444098819 /nfs/dbraw/zinc/09/88/19/444098819.db2.gz AHSIEDQOBAXTTI-HUUCEWRRSA-N 2 2 343.265 1.527 20 0 EDADLP C[C@H](CC(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1)n1cc[nH+]c1 ZINC000568020819 321273688 /nfs/dbraw/zinc/27/36/88/321273688.db2.gz GFLVYOMXADNDTK-CVEARBPZSA-N 2 2 334.464 1.984 20 0 EDADLP C[NH+](C)CCCCC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000568471927 321292586 /nfs/dbraw/zinc/29/25/86/321292586.db2.gz CGCIYZGIZYQSQI-UHFFFAOYSA-N 2 2 332.448 1.200 20 0 EDADLP C[NH+](C)CCCCC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000568471927 321292587 /nfs/dbraw/zinc/29/25/87/321292587.db2.gz CGCIYZGIZYQSQI-UHFFFAOYSA-N 2 2 332.448 1.200 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000569989828 321333653 /nfs/dbraw/zinc/33/36/53/321333653.db2.gz YAUCJJJSFUXYCR-INIZCTEOSA-N 2 2 331.464 1.691 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2nc(C(C)(C)C)cs2)[C@H](C[NH3+])C1 ZINC000570547802 321347042 /nfs/dbraw/zinc/34/70/42/321347042.db2.gz QZHJFCZRRPEZSK-LLVKDONJSA-N 2 2 325.482 1.225 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000570547627 321347152 /nfs/dbraw/zinc/34/71/52/321347152.db2.gz HWRWIWCIXBJYEI-ROUUACIJSA-N 2 2 339.443 1.825 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCc4c[nH]nc4C3)c2cc1C ZINC000570625690 321350892 /nfs/dbraw/zinc/35/08/92/321350892.db2.gz GVPWPNMSDQBNLK-HZPDHXFCSA-N 2 2 339.443 1.884 20 0 EDADLP CC(C)C(=O)Nc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000570693783 321353860 /nfs/dbraw/zinc/35/38/60/321353860.db2.gz VIDHGVREACGDDZ-MRXNPFEDSA-N 2 2 347.463 1.065 20 0 EDADLP CC(C)C(=O)Nc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000570693783 321353862 /nfs/dbraw/zinc/35/38/62/321353862.db2.gz VIDHGVREACGDDZ-MRXNPFEDSA-N 2 2 347.463 1.065 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000570877049 321361083 /nfs/dbraw/zinc/36/10/83/321361083.db2.gz FHVCNDLMTQYUEA-BZUAXINKSA-N 2 2 331.464 1.997 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000570877049 321361085 /nfs/dbraw/zinc/36/10/85/321361085.db2.gz FHVCNDLMTQYUEA-BZUAXINKSA-N 2 2 331.464 1.997 20 0 EDADLP CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCC(F)(F)F ZINC000571093863 321370758 /nfs/dbraw/zinc/37/07/58/321370758.db2.gz UWIRTVPUQHQLOP-LBPRGKRZSA-N 2 2 332.370 1.836 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCC(F)(F)F ZINC000571093863 321370759 /nfs/dbraw/zinc/37/07/59/321370759.db2.gz UWIRTVPUQHQLOP-LBPRGKRZSA-N 2 2 332.370 1.836 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)cn2)n1 ZINC000571516999 321390011 /nfs/dbraw/zinc/39/00/11/321390011.db2.gz XXFADZLDNXRVLP-QGZVFWFLSA-N 2 2 329.448 1.429 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)cn2)n1 ZINC000571516999 321390013 /nfs/dbraw/zinc/39/00/13/321390013.db2.gz XXFADZLDNXRVLP-QGZVFWFLSA-N 2 2 329.448 1.429 20 0 EDADLP CC[N@H+](CCOCCO)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000282182280 444107514 /nfs/dbraw/zinc/10/75/14/444107514.db2.gz VUUKIFZIVLANKY-MRXNPFEDSA-N 2 2 335.448 1.345 20 0 EDADLP CC[N@@H+](CCOCCO)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000282182280 444107516 /nfs/dbraw/zinc/10/75/16/444107516.db2.gz VUUKIFZIVLANKY-MRXNPFEDSA-N 2 2 335.448 1.345 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000572261401 321423139 /nfs/dbraw/zinc/42/31/39/321423139.db2.gz BGXJGSAINXELTH-RLFYNMQTSA-N 2 2 346.475 1.282 20 0 EDADLP Cc1cc[nH+]c(N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)c1 ZINC000282284566 444137095 /nfs/dbraw/zinc/13/70/95/444137095.db2.gz PXFPFKNJASRZDL-OAHLLOKOSA-N 2 2 342.447 1.662 20 0 EDADLP Cc1cc[nH+]c(N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)c1 ZINC000282284566 444137097 /nfs/dbraw/zinc/13/70/97/444137097.db2.gz PXFPFKNJASRZDL-OAHLLOKOSA-N 2 2 342.447 1.662 20 0 EDADLP [NH3+]C1(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CCC1 ZINC000573223647 321445350 /nfs/dbraw/zinc/44/53/50/321445350.db2.gz SODXLEGTCQYLBC-ZDUSSCGKSA-N 2 2 338.477 1.302 20 0 EDADLP O=C(Cn1cc[nH+]c1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000573414218 321453570 /nfs/dbraw/zinc/45/35/70/321453570.db2.gz AZUKGFPMXIGEMO-UHFFFAOYSA-N 2 2 343.431 1.029 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc(C)[nH+]cn3)CC2)CC1 ZINC000301264184 444159655 /nfs/dbraw/zinc/15/96/55/444159655.db2.gz PERBVXJZEFELEH-UHFFFAOYSA-N 2 2 331.464 1.556 20 0 EDADLP COc1cc(C(=O)N2CC[NH+](CCc3c[nH+]cn3C)CC2)ccc1C ZINC000289501352 444160614 /nfs/dbraw/zinc/16/06/14/444160614.db2.gz DMMPQFRUVSWGFX-UHFFFAOYSA-N 2 2 342.443 1.738 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301550653 444178810 /nfs/dbraw/zinc/17/88/10/444178810.db2.gz VGYRKGQIRKFZKD-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP O=C(C[N@H+](C1CC1)C1COC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000295471921 444185393 /nfs/dbraw/zinc/18/53/93/444185393.db2.gz QVKDWWQPZJMGJF-UHFFFAOYSA-N 2 2 343.471 1.762 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1COC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000295471921 444185394 /nfs/dbraw/zinc/18/53/94/444185394.db2.gz QVKDWWQPZJMGJF-UHFFFAOYSA-N 2 2 343.471 1.762 20 0 EDADLP CC(C)c1nc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)nc(N(C)C)[nH+]1 ZINC000301948352 444198120 /nfs/dbraw/zinc/19/81/20/444198120.db2.gz YPQRQPQMXDXBGH-AWEZNQCLSA-N 2 2 348.495 1.751 20 0 EDADLP CC(C)c1nc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)nc(N(C)C)[nH+]1 ZINC000301948352 444198124 /nfs/dbraw/zinc/19/81/24/444198124.db2.gz YPQRQPQMXDXBGH-AWEZNQCLSA-N 2 2 348.495 1.751 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000290152779 444248648 /nfs/dbraw/zinc/24/86/48/444248648.db2.gz LELUGUGHBPUBTG-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000290152779 444248650 /nfs/dbraw/zinc/24/86/50/444248650.db2.gz LELUGUGHBPUBTG-QFBILLFUSA-N 2 2 345.487 1.876 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000305175397 444262819 /nfs/dbraw/zinc/26/28/19/444262819.db2.gz GBVMJHZYMLIVHZ-UHFFFAOYSA-N 2 2 332.423 1.900 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000305175397 444262820 /nfs/dbraw/zinc/26/28/20/444262820.db2.gz GBVMJHZYMLIVHZ-UHFFFAOYSA-N 2 2 332.423 1.900 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302828088 444226257 /nfs/dbraw/zinc/22/62/57/444226257.db2.gz IIWTXMOJJDTEGS-CABCVRRESA-N 2 2 333.505 1.950 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302828088 444226259 /nfs/dbraw/zinc/22/62/59/444226259.db2.gz IIWTXMOJJDTEGS-CABCVRRESA-N 2 2 333.505 1.950 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302828088 444226260 /nfs/dbraw/zinc/22/62/60/444226260.db2.gz IIWTXMOJJDTEGS-CABCVRRESA-N 2 2 333.505 1.950 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302828088 444226262 /nfs/dbraw/zinc/22/62/62/444226262.db2.gz IIWTXMOJJDTEGS-CABCVRRESA-N 2 2 333.505 1.950 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1O ZINC000289997017 444228457 /nfs/dbraw/zinc/22/84/57/444228457.db2.gz YSWPAPQLGKMONU-GOEBONIOSA-N 2 2 349.475 1.994 20 0 EDADLP COc1nccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)n1 ZINC000296434808 444229472 /nfs/dbraw/zinc/22/94/72/444229472.db2.gz NLARWSYNBRLIQL-HNNXBMFYSA-N 2 2 342.443 1.996 20 0 EDADLP COc1nccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)n1 ZINC000296434808 444229474 /nfs/dbraw/zinc/22/94/74/444229474.db2.gz NLARWSYNBRLIQL-HNNXBMFYSA-N 2 2 342.443 1.996 20 0 EDADLP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302919698 444231680 /nfs/dbraw/zinc/23/16/80/444231680.db2.gz YQWVLWJWGDSCFW-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302919698 444231682 /nfs/dbraw/zinc/23/16/82/444231682.db2.gz YQWVLWJWGDSCFW-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000302932782 444231743 /nfs/dbraw/zinc/23/17/43/444231743.db2.gz DTBVCRZASKUTNQ-SFHVURJKSA-N 2 2 344.503 1.751 20 0 EDADLP CC(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000303360286 444236778 /nfs/dbraw/zinc/23/67/78/444236778.db2.gz BPBKNMRJQQGCCC-MOPGFXCFSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000303360286 444236780 /nfs/dbraw/zinc/23/67/80/444236780.db2.gz BPBKNMRJQQGCCC-MOPGFXCFSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)C(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000303360286 444236783 /nfs/dbraw/zinc/23/67/83/444236783.db2.gz BPBKNMRJQQGCCC-MOPGFXCFSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)C(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000303360286 444236784 /nfs/dbraw/zinc/23/67/84/444236784.db2.gz BPBKNMRJQQGCCC-MOPGFXCFSA-N 2 2 347.503 1.716 20 0 EDADLP Cc1noc(CC[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000577364928 321645553 /nfs/dbraw/zinc/64/55/53/321645553.db2.gz IQZMZNSLNXKYOO-AWEZNQCLSA-N 2 2 329.404 1.538 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000297367626 444284195 /nfs/dbraw/zinc/28/41/95/444284195.db2.gz LKLATTYMIKUSAX-QGZVFWFLSA-N 2 2 328.416 1.381 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)N1CCOCC1 ZINC000311051729 444292724 /nfs/dbraw/zinc/29/27/24/444292724.db2.gz QVQZDDLDPVLDAN-RTBURBONSA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)N1CCOCC1 ZINC000311051729 444292726 /nfs/dbraw/zinc/29/27/26/444292726.db2.gz QVQZDDLDPVLDAN-RTBURBONSA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCOCC1 ZINC000311051729 444292728 /nfs/dbraw/zinc/29/27/28/444292728.db2.gz QVQZDDLDPVLDAN-RTBURBONSA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N1CCOCC1 ZINC000311051729 444292731 /nfs/dbraw/zinc/29/27/31/444292731.db2.gz QVQZDDLDPVLDAN-RTBURBONSA-N 2 2 343.471 1.299 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH+]2CCC([N@H+](C)CCO)CC2)CCO1 ZINC000297555492 444300452 /nfs/dbraw/zinc/30/04/52/444300452.db2.gz BXADOJQYQGBVFB-KRWDZBQOSA-N 2 2 347.503 1.800 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH+]2CCC([N@@H+](C)CCO)CC2)CCO1 ZINC000297555492 444300453 /nfs/dbraw/zinc/30/04/53/444300453.db2.gz BXADOJQYQGBVFB-KRWDZBQOSA-N 2 2 347.503 1.800 20 0 EDADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000337691379 444355228 /nfs/dbraw/zinc/35/52/28/444355228.db2.gz UYQNSLZWDIRGTA-GOSISDBHSA-N 2 2 345.487 1.911 20 0 EDADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000337691379 444355233 /nfs/dbraw/zinc/35/52/33/444355233.db2.gz UYQNSLZWDIRGTA-GOSISDBHSA-N 2 2 345.487 1.911 20 0 EDADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000340473648 444392402 /nfs/dbraw/zinc/39/24/02/444392402.db2.gz JTWFSPZYJNQUMG-GFCCVEGCSA-N 2 2 330.270 1.929 20 0 EDADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000340473648 444392405 /nfs/dbraw/zinc/39/24/05/444392405.db2.gz JTWFSPZYJNQUMG-GFCCVEGCSA-N 2 2 330.270 1.929 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000340478069 444394357 /nfs/dbraw/zinc/39/43/57/444394357.db2.gz ZORDGUQTKXVAIG-IBGZPJMESA-N 2 2 347.503 1.749 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)CC1 ZINC000331732802 444485382 /nfs/dbraw/zinc/48/53/82/444485382.db2.gz QXQVUXORFKLJGH-OAHLLOKOSA-N 2 2 336.484 1.453 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)CC1 ZINC000331732802 444485384 /nfs/dbraw/zinc/48/53/84/444485384.db2.gz QXQVUXORFKLJGH-OAHLLOKOSA-N 2 2 336.484 1.453 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329179027 444493613 /nfs/dbraw/zinc/49/36/13/444493613.db2.gz NGZNOAIALBVADJ-IOASZLSFSA-N 2 2 327.494 1.015 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329179027 444493614 /nfs/dbraw/zinc/49/36/14/444493614.db2.gz NGZNOAIALBVADJ-IOASZLSFSA-N 2 2 327.494 1.015 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2sccc2Br)[C@@H](C[NH3+])C1 ZINC000580292820 322032197 /nfs/dbraw/zinc/03/21/97/322032197.db2.gz PGDOYFUEHZXJFG-VIFPVBQESA-N 2 2 347.282 1.295 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2sccc2Br)[C@@H](C[NH3+])C1 ZINC000580292820 322032198 /nfs/dbraw/zinc/03/21/98/322032198.db2.gz PGDOYFUEHZXJFG-VIFPVBQESA-N 2 2 347.282 1.295 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CCOCC1 ZINC000580429072 322049475 /nfs/dbraw/zinc/04/94/75/322049475.db2.gz NEOBUGNMNSYIKR-ZMSDIMECSA-N 2 2 334.464 1.912 20 0 EDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000338054490 444501495 /nfs/dbraw/zinc/50/14/95/444501495.db2.gz QAIYPPWZNIPELG-UHFFFAOYSA-N 2 2 329.404 1.802 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000581020452 322125638 /nfs/dbraw/zinc/12/56/38/322125638.db2.gz JWFBPOIPEKYGAM-MRXNPFEDSA-N 2 2 330.476 1.714 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000581020452 322125639 /nfs/dbraw/zinc/12/56/39/322125639.db2.gz JWFBPOIPEKYGAM-MRXNPFEDSA-N 2 2 330.476 1.714 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000581061403 322130131 /nfs/dbraw/zinc/13/01/31/322130131.db2.gz ZLCXNDGTHUTEGD-HNNXBMFYSA-N 2 2 333.411 1.947 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581251590 322155257 /nfs/dbraw/zinc/15/52/57/322155257.db2.gz XHBPVOQGKQHDJS-DNVCBOLYSA-N 2 2 331.460 1.775 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581251590 322155259 /nfs/dbraw/zinc/15/52/59/322155259.db2.gz XHBPVOQGKQHDJS-DNVCBOLYSA-N 2 2 331.460 1.775 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1CC(n2cc[nH+]c2)C1)C(F)(F)F ZINC000581320300 322164132 /nfs/dbraw/zinc/16/41/32/322164132.db2.gz ZQGOUJZZJCOLEZ-NSHDSACASA-N 2 2 327.310 1.736 20 0 EDADLP CCc1ccc([C@H](C[NH2+]CCC(=O)NC(N)=O)[NH+](CC)CC)cc1 ZINC000581603029 322197466 /nfs/dbraw/zinc/19/74/66/322197466.db2.gz HHKGGAFKERSZNT-INIZCTEOSA-N 2 2 334.464 1.807 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(F)c1 ZINC000581657734 322204689 /nfs/dbraw/zinc/20/46/89/322204689.db2.gz LAJSPQJPWBPJDH-AWEZNQCLSA-N 2 2 346.410 1.460 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(F)c1 ZINC000581657734 322204691 /nfs/dbraw/zinc/20/46/91/322204691.db2.gz LAJSPQJPWBPJDH-AWEZNQCLSA-N 2 2 346.410 1.460 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329251442 444512563 /nfs/dbraw/zinc/51/25/63/444512563.db2.gz YBBIQFWJIOBFHQ-IIAWOOMASA-N 2 2 346.431 1.697 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329251442 444512567 /nfs/dbraw/zinc/51/25/67/444512567.db2.gz YBBIQFWJIOBFHQ-IIAWOOMASA-N 2 2 346.431 1.697 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)[C@H](C)C1 ZINC000329277125 444519435 /nfs/dbraw/zinc/51/94/35/444519435.db2.gz JDPHVKDSKGPPBM-GFCCVEGCSA-N 2 2 330.436 1.389 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)[C@H](C)C1 ZINC000329277125 444519436 /nfs/dbraw/zinc/51/94/36/444519436.db2.gz JDPHVKDSKGPPBM-GFCCVEGCSA-N 2 2 330.436 1.389 20 0 EDADLP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000332712010 444531026 /nfs/dbraw/zinc/53/10/26/444531026.db2.gz NDMPKXWMFOPJRF-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000332712010 444531029 /nfs/dbraw/zinc/53/10/29/444531029.db2.gz NDMPKXWMFOPJRF-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000343761787 444571899 /nfs/dbraw/zinc/57/18/99/444571899.db2.gz HZPXOQIXLXGYFB-OLMNPRSZSA-N 2 2 331.460 1.635 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c2ccccc2C1 ZINC000343775099 444581635 /nfs/dbraw/zinc/58/16/35/444581635.db2.gz UIUOOSLSEJFNTP-MQVJKMGUSA-N 2 2 327.428 1.280 20 0 EDADLP C[N@H+]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c2ccccc2C1 ZINC000343775099 444581640 /nfs/dbraw/zinc/58/16/40/444581640.db2.gz UIUOOSLSEJFNTP-MQVJKMGUSA-N 2 2 327.428 1.280 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCSC[C@@H]3CO)c2cc1C ZINC000343719576 444543730 /nfs/dbraw/zinc/54/37/30/444543730.db2.gz KVGFNCUVJLZLMJ-GJZGRUSLSA-N 2 2 335.473 1.424 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCSC[C@@H]3CO)c2cc1C ZINC000343719576 444543733 /nfs/dbraw/zinc/54/37/33/444543733.db2.gz KVGFNCUVJLZLMJ-GJZGRUSLSA-N 2 2 335.473 1.424 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)nn1 ZINC000342183131 444552075 /nfs/dbraw/zinc/55/20/75/444552075.db2.gz ACMZGOYTSSEHDW-RHSMWYFYSA-N 2 2 331.468 1.765 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)nn1 ZINC000342183131 444552079 /nfs/dbraw/zinc/55/20/79/444552079.db2.gz ACMZGOYTSSEHDW-RHSMWYFYSA-N 2 2 331.468 1.765 20 0 EDADLP Cc1nc(C2([NH2+]CCC(=O)N3CC[NH+](C)CC3)CCCCC2)no1 ZINC000338272632 444602890 /nfs/dbraw/zinc/60/28/90/444602890.db2.gz DSBFHSQQGIEDMP-UHFFFAOYSA-N 2 2 335.452 1.291 20 0 EDADLP CCCCN(CC)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000340993228 444620019 /nfs/dbraw/zinc/62/00/19/444620019.db2.gz KZGUMBBEWOAFNV-UHFFFAOYSA-N 2 2 326.529 1.593 20 0 EDADLP CCCCN(CC)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000340993228 444620022 /nfs/dbraw/zinc/62/00/22/444620022.db2.gz KZGUMBBEWOAFNV-UHFFFAOYSA-N 2 2 326.529 1.593 20 0 EDADLP CCCCN(CC)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340993228 444620025 /nfs/dbraw/zinc/62/00/25/444620025.db2.gz KZGUMBBEWOAFNV-UHFFFAOYSA-N 2 2 326.529 1.593 20 0 EDADLP CCCCN(CC)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340993228 444620027 /nfs/dbraw/zinc/62/00/27/444620027.db2.gz KZGUMBBEWOAFNV-UHFFFAOYSA-N 2 2 326.529 1.593 20 0 EDADLP CCOC(=O)C1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000611031834 450415502 /nfs/dbraw/zinc/41/55/02/450415502.db2.gz AOGIYLFUEMGZMA-CQSZACIVSA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)C1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000611031834 450415507 /nfs/dbraw/zinc/41/55/07/450415507.db2.gz AOGIYLFUEMGZMA-CQSZACIVSA-N 2 2 337.464 1.005 20 0 EDADLP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919647 444668557 /nfs/dbraw/zinc/66/85/57/444668557.db2.gz GXELZUDWBDMLJE-KZNAEPCWSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919647 444668560 /nfs/dbraw/zinc/66/85/60/444668560.db2.gz GXELZUDWBDMLJE-KZNAEPCWSA-N 2 2 336.524 1.345 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919528 444668930 /nfs/dbraw/zinc/66/89/30/444668930.db2.gz FXXKNPVNHKYTAH-BRWVUGGUSA-N 2 2 325.497 1.676 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919528 444668931 /nfs/dbraw/zinc/66/89/31/444668931.db2.gz FXXKNPVNHKYTAH-BRWVUGGUSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000343887478 444647777 /nfs/dbraw/zinc/64/77/77/444647777.db2.gz CLOATFWBFVIPHK-SJLPKXTDSA-N 2 2 330.476 1.265 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000343887478 444647781 /nfs/dbraw/zinc/64/77/81/444647781.db2.gz CLOATFWBFVIPHK-SJLPKXTDSA-N 2 2 330.476 1.265 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000343983979 444709361 /nfs/dbraw/zinc/70/93/61/444709361.db2.gz BZKNRCSMWUITLR-CQSZACIVSA-N 2 2 335.452 1.082 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000343983979 444709363 /nfs/dbraw/zinc/70/93/63/444709363.db2.gz BZKNRCSMWUITLR-CQSZACIVSA-N 2 2 335.452 1.082 20 0 EDADLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000341124265 444685414 /nfs/dbraw/zinc/68/54/14/444685414.db2.gz ASCYVDAOGKBZMM-KRWDZBQOSA-N 2 2 348.443 1.393 20 0 EDADLP CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000341139701 444693673 /nfs/dbraw/zinc/69/36/73/444693673.db2.gz SQQBEHXCBGLBNB-GOSISDBHSA-N 2 2 342.443 1.522 20 0 EDADLP CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341139701 444693676 /nfs/dbraw/zinc/69/36/76/444693676.db2.gz SQQBEHXCBGLBNB-GOSISDBHSA-N 2 2 342.443 1.522 20 0 EDADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000329739090 444698158 /nfs/dbraw/zinc/69/81/58/444698158.db2.gz USXGKXLCHDDBQQ-FMKPAKJESA-N 2 2 331.464 1.865 20 0 EDADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[N@H+]1C1CC1 ZINC000329739090 444698162 /nfs/dbraw/zinc/69/81/62/444698162.db2.gz USXGKXLCHDDBQQ-FMKPAKJESA-N 2 2 331.464 1.865 20 0 EDADLP CN(CCC[N@H+](C)Cc1nnc(-c2ccccc2)n1C)CC[NH+](C)C ZINC000344032395 444740008 /nfs/dbraw/zinc/74/00/08/444740008.db2.gz PXGMDCVJKVYMMW-UHFFFAOYSA-N 2 2 344.507 1.797 20 0 EDADLP CN(CCC[N@@H+](C)Cc1nnc(-c2ccccc2)n1C)CC[NH+](C)C ZINC000344032395 444740010 /nfs/dbraw/zinc/74/00/10/444740010.db2.gz PXGMDCVJKVYMMW-UHFFFAOYSA-N 2 2 344.507 1.797 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000344064090 444760278 /nfs/dbraw/zinc/76/02/78/444760278.db2.gz ORGVNKYRTUPCTQ-USXIJHARSA-N 2 2 349.500 1.095 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000344064090 444760282 /nfs/dbraw/zinc/76/02/82/444760282.db2.gz ORGVNKYRTUPCTQ-USXIJHARSA-N 2 2 349.500 1.095 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342695800 444819590 /nfs/dbraw/zinc/81/95/90/444819590.db2.gz QAHQFCPMVCOZDN-HNNXBMFYSA-N 2 2 338.402 1.407 20 0 EDADLP CC(=O)CC(C)(C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000336915885 444850592 /nfs/dbraw/zinc/85/05/92/444850592.db2.gz MTGXCUHCGFWVAX-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP CC(=O)CC(C)(C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000336915885 444850595 /nfs/dbraw/zinc/85/05/95/444850595.db2.gz MTGXCUHCGFWVAX-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000342766749 444857159 /nfs/dbraw/zinc/85/71/59/444857159.db2.gz WZIOYTZOVYHIKC-AEFFLSMTSA-N 2 2 331.460 1.598 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)n1C ZINC000342768795 444858409 /nfs/dbraw/zinc/85/84/09/444858409.db2.gz NMBHWLVVZLQSNJ-QAPCUYQASA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)n1C ZINC000342768795 444858415 /nfs/dbraw/zinc/85/84/15/444858415.db2.gz NMBHWLVVZLQSNJ-QAPCUYQASA-N 2 2 330.480 1.977 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000341631504 444926728 /nfs/dbraw/zinc/92/67/28/444926728.db2.gz GRTKZZSUMHXILN-ROUUACIJSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000341631504 444926730 /nfs/dbraw/zinc/92/67/30/444926730.db2.gz GRTKZZSUMHXILN-ROUUACIJSA-N 2 2 345.487 1.688 20 0 EDADLP Cc1cccn2c(C[NH2+][C@H]3CCC[C@H]3CNS(C)(=O)=O)c[nH+]c12 ZINC000337297124 445020924 /nfs/dbraw/zinc/02/09/24/445020924.db2.gz OPWPVTIIANVYFP-ZFWWWQNUSA-N 2 2 336.461 1.450 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3COC[C@@H]3n3ccnn3)sc2C1 ZINC000344464133 444992583 /nfs/dbraw/zinc/99/25/83/444992583.db2.gz XGBGCZKYHSNCLA-KBPBESRZSA-N 2 2 348.476 1.231 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3COC[C@@H]3n3ccnn3)sc2C1 ZINC000344464133 444992586 /nfs/dbraw/zinc/99/25/86/444992586.db2.gz XGBGCZKYHSNCLA-KBPBESRZSA-N 2 2 348.476 1.231 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000339067290 445016888 /nfs/dbraw/zinc/01/68/88/445016888.db2.gz FYWSHHJMEZDIRV-ZCNNSNEGSA-N 3 2 329.488 1.840 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000339067290 445016894 /nfs/dbraw/zinc/01/68/94/445016894.db2.gz FYWSHHJMEZDIRV-ZCNNSNEGSA-N 3 2 329.488 1.840 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000339067290 445016898 /nfs/dbraw/zinc/01/68/98/445016898.db2.gz FYWSHHJMEZDIRV-ZCNNSNEGSA-N 3 2 329.488 1.840 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000339067290 445016900 /nfs/dbraw/zinc/01/69/00/445016900.db2.gz FYWSHHJMEZDIRV-ZCNNSNEGSA-N 3 2 329.488 1.840 20 0 EDADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCN4CCOC[C@@H]4C3)C2)cc1 ZINC000341909945 445066638 /nfs/dbraw/zinc/06/66/38/445066638.db2.gz NBQUAVKQOIDBRA-PMACEKPBSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCN4CCOC[C@@H]4C3)C2)cc1 ZINC000341909945 445066644 /nfs/dbraw/zinc/06/66/44/445066644.db2.gz NBQUAVKQOIDBRA-PMACEKPBSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCN4CCOC[C@@H]4C3)C2)cc1 ZINC000341909945 445066649 /nfs/dbraw/zinc/06/66/49/445066649.db2.gz NBQUAVKQOIDBRA-PMACEKPBSA-N 2 2 345.487 1.294 20 0 EDADLP CC(C)OC[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000337331071 445036115 /nfs/dbraw/zinc/03/61/15/445036115.db2.gz HBAABPYQMTVRLP-MRXNPFEDSA-N 2 2 334.464 1.523 20 0 EDADLP Cc1nn(C(C)C)c(C)c1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000342041134 445139596 /nfs/dbraw/zinc/13/95/96/445139596.db2.gz BOXOYQXMTXHCPZ-UHFFFAOYSA-N 2 2 349.523 1.766 20 0 EDADLP C[C@@H]1C[N@H+](CCN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000337483810 445100677 /nfs/dbraw/zinc/10/06/77/445100677.db2.gz XLVUMJRPBZXJNM-MISYRCLQSA-N 2 2 329.488 1.771 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000337483810 445100683 /nfs/dbraw/zinc/10/06/83/445100683.db2.gz XLVUMJRPBZXJNM-MISYRCLQSA-N 2 2 329.488 1.771 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000344764667 445140918 /nfs/dbraw/zinc/14/09/18/445140918.db2.gz BZMYDJZULFHUPH-YYIAUSFCSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000344764667 445140920 /nfs/dbraw/zinc/14/09/20/445140920.db2.gz BZMYDJZULFHUPH-YYIAUSFCSA-N 2 2 336.480 1.118 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000337612156 445167889 /nfs/dbraw/zinc/16/78/89/445167889.db2.gz XOYBSLAJBLDHMQ-HOTGVXAUSA-N 2 2 339.459 1.133 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000337612156 445167890 /nfs/dbraw/zinc/16/78/90/445167890.db2.gz XOYBSLAJBLDHMQ-HOTGVXAUSA-N 2 2 339.459 1.133 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000342097208 445170673 /nfs/dbraw/zinc/17/06/73/445170673.db2.gz SLJDCEVGMGCZKH-MAUKXSAKSA-N 2 2 330.476 1.570 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000342097208 445170676 /nfs/dbraw/zinc/17/06/76/445170676.db2.gz SLJDCEVGMGCZKH-MAUKXSAKSA-N 2 2 330.476 1.570 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@@H]2c2ccnn2C)C1 ZINC000345334864 445182383 /nfs/dbraw/zinc/18/23/83/445182383.db2.gz XISCPJNTHQLJFN-AZAGILFBSA-N 2 2 331.464 1.154 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@@H]2c2ccnn2C)C1 ZINC000345334864 445182386 /nfs/dbraw/zinc/18/23/86/445182386.db2.gz XISCPJNTHQLJFN-AZAGILFBSA-N 2 2 331.464 1.154 20 0 EDADLP CN(C)[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1c[nH+]cn1C ZINC000343291636 445184025 /nfs/dbraw/zinc/18/40/25/445184025.db2.gz SENBYDHGTHEAML-QGZVFWFLSA-N 2 2 333.480 1.500 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)NCC[NH+]3CCC3)cc2F)CC1 ZINC000337581013 445149673 /nfs/dbraw/zinc/14/96/73/445149673.db2.gz IVGMKNVHSQOGNC-UHFFFAOYSA-N 2 2 334.439 1.403 20 0 EDADLP O[C@H](CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(F)(F)F ZINC000337600608 445160196 /nfs/dbraw/zinc/16/01/96/445160196.db2.gz JCPOIXRHGNLUIU-LLVKDONJSA-N 2 2 338.293 1.936 20 0 EDADLP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000346277173 445210740 /nfs/dbraw/zinc/21/07/40/445210740.db2.gz DZFQQLGJCBTLTA-RTBURBONSA-N 2 2 343.471 1.442 20 0 EDADLP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000346277173 445210741 /nfs/dbraw/zinc/21/07/41/445210741.db2.gz DZFQQLGJCBTLTA-RTBURBONSA-N 2 2 343.471 1.442 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)C1 ZINC000343400144 445216055 /nfs/dbraw/zinc/21/60/55/445216055.db2.gz RHZJOROOWWPBRJ-RYRKJORJSA-N 2 2 335.496 1.113 20 0 EDADLP COCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)C1 ZINC000343400144 445216056 /nfs/dbraw/zinc/21/60/56/445216056.db2.gz RHZJOROOWWPBRJ-RYRKJORJSA-N 2 2 335.496 1.113 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)C1 ZINC000343400144 445216057 /nfs/dbraw/zinc/21/60/57/445216057.db2.gz RHZJOROOWWPBRJ-RYRKJORJSA-N 2 2 335.496 1.113 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)C1 ZINC000343400144 445216058 /nfs/dbraw/zinc/21/60/58/445216058.db2.gz RHZJOROOWWPBRJ-RYRKJORJSA-N 2 2 335.496 1.113 20 0 EDADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000347449951 445238577 /nfs/dbraw/zinc/23/85/77/445238577.db2.gz NMIZEWZWXVDZSZ-MJGOQNOKSA-N 2 2 333.476 1.859 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000347449951 445238578 /nfs/dbraw/zinc/23/85/78/445238578.db2.gz NMIZEWZWXVDZSZ-MJGOQNOKSA-N 2 2 333.476 1.859 20 0 EDADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000347449951 445238579 /nfs/dbraw/zinc/23/85/79/445238579.db2.gz NMIZEWZWXVDZSZ-MJGOQNOKSA-N 2 2 333.476 1.859 20 0 EDADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000347449951 445238580 /nfs/dbraw/zinc/23/85/80/445238580.db2.gz NMIZEWZWXVDZSZ-MJGOQNOKSA-N 2 2 333.476 1.859 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000347828831 445250725 /nfs/dbraw/zinc/25/07/25/445250725.db2.gz QAEDHTWGCFTYNO-QAPCUYQASA-N 2 2 348.491 1.699 20 0 EDADLP CCCCNc1cc(N2C[C@@H](OC)C[C@@H]2C[NH+]2CCCC2)nc(N)[nH+]1 ZINC000347908599 445255152 /nfs/dbraw/zinc/25/51/52/445255152.db2.gz XUXGLMXOYHIWHM-CABCVRRESA-N 2 2 348.495 1.960 20 0 EDADLP CC[C@H]1CCC[C@@H](C[N@H+](CCN2CC[NH+](C)CC2)CC(=O)OC)C1 ZINC000343597604 445256638 /nfs/dbraw/zinc/25/66/38/445256638.db2.gz COZZCAARLOBRSX-ZWKOTPCHSA-N 2 2 339.524 1.925 20 0 EDADLP CC[C@H]1CCC[C@@H](C[N@@H+](CCN2CC[NH+](C)CC2)CC(=O)OC)C1 ZINC000343597604 445256639 /nfs/dbraw/zinc/25/66/39/445256639.db2.gz COZZCAARLOBRSX-ZWKOTPCHSA-N 2 2 339.524 1.925 20 0 EDADLP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348173486 445304229 /nfs/dbraw/zinc/30/42/29/445304229.db2.gz MTPKTHSYZWSRAS-QWHCGFSZSA-N 2 2 341.477 1.747 20 0 EDADLP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348173486 445304231 /nfs/dbraw/zinc/30/42/31/445304231.db2.gz MTPKTHSYZWSRAS-QWHCGFSZSA-N 2 2 341.477 1.747 20 0 EDADLP OC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000351759757 445311050 /nfs/dbraw/zinc/31/10/50/445311050.db2.gz SSQAYOSJTNNYPP-FQEVSTJZSA-N 2 2 347.503 1.576 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348122599 445279716 /nfs/dbraw/zinc/27/97/16/445279716.db2.gz RPHCYPRPFDAXDJ-DLBZAZTESA-N 3 2 348.470 1.860 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348122599 445279721 /nfs/dbraw/zinc/27/97/21/445279721.db2.gz RPHCYPRPFDAXDJ-DLBZAZTESA-N 3 2 348.470 1.860 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC[NH+]3CCCC3)c2)cc[nH+]1 ZINC000348426910 445286461 /nfs/dbraw/zinc/28/64/61/445286461.db2.gz VSVOHYKWTMIKAK-UHFFFAOYSA-N 2 2 339.443 2.223 20 0 EDADLP COC(=O)[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)[C@@H]1C(=O)OC ZINC000348260966 445331441 /nfs/dbraw/zinc/33/14/41/445331441.db2.gz FRMBKZDGRTXVBA-GJZGRUSLSA-N 2 2 337.420 1.398 20 0 EDADLP COC(=O)[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)[C@@H]1C(=O)OC ZINC000348260966 445331443 /nfs/dbraw/zinc/33/14/43/445331443.db2.gz FRMBKZDGRTXVBA-GJZGRUSLSA-N 2 2 337.420 1.398 20 0 EDADLP COC(=O)c1ccccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000362375768 445351776 /nfs/dbraw/zinc/35/17/76/445351776.db2.gz IKLTZMLASDYKGU-KRWDZBQOSA-N 2 2 331.460 1.685 20 0 EDADLP COC(=O)c1ccccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000362375768 445351779 /nfs/dbraw/zinc/35/17/79/445351779.db2.gz IKLTZMLASDYKGU-KRWDZBQOSA-N 2 2 331.460 1.685 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000362396642 445359597 /nfs/dbraw/zinc/35/95/97/445359597.db2.gz BKYCKCXTKBJXTM-HUUCEWRRSA-N 2 2 339.480 1.060 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000362396642 445359601 /nfs/dbraw/zinc/35/96/01/445359601.db2.gz BKYCKCXTKBJXTM-HUUCEWRRSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000362396642 445359602 /nfs/dbraw/zinc/35/96/02/445359602.db2.gz BKYCKCXTKBJXTM-HUUCEWRRSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000362396642 445359606 /nfs/dbraw/zinc/35/96/06/445359606.db2.gz BKYCKCXTKBJXTM-HUUCEWRRSA-N 2 2 339.480 1.060 20 0 EDADLP Cc1cc(NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)nc[nH+]1 ZINC000359664864 445364106 /nfs/dbraw/zinc/36/41/06/445364106.db2.gz ZKHIGQVTADDAJB-STQMWFEESA-N 2 2 331.399 1.670 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnn(CC(F)F)c1 ZINC000351807059 445327946 /nfs/dbraw/zinc/32/79/46/445327946.db2.gz GQMRELZIQIPCKR-QLFBSQMISA-N 2 2 328.407 1.832 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnn(CC(F)F)c1 ZINC000351807059 445327948 /nfs/dbraw/zinc/32/79/48/445327948.db2.gz GQMRELZIQIPCKR-QLFBSQMISA-N 2 2 328.407 1.832 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000354654187 445328434 /nfs/dbraw/zinc/32/84/34/445328434.db2.gz GFMPOBRJRAWSCK-HOCLYGCPSA-N 2 2 338.496 1.412 20 0 EDADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357071640 445407317 /nfs/dbraw/zinc/40/73/17/445407317.db2.gz GWNWCSRNEWZEPS-CHWSQXEVSA-N 2 2 339.842 1.979 20 0 EDADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357071640 445407324 /nfs/dbraw/zinc/40/73/24/445407324.db2.gz GWNWCSRNEWZEPS-CHWSQXEVSA-N 2 2 339.842 1.979 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000357072698 445408135 /nfs/dbraw/zinc/40/81/35/445408135.db2.gz HNZOFCXKDLOAEV-QZTJIDSGSA-N 2 2 329.488 1.812 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000357072698 445408139 /nfs/dbraw/zinc/40/81/39/445408139.db2.gz HNZOFCXKDLOAEV-QZTJIDSGSA-N 2 2 329.488 1.812 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000351978936 445414042 /nfs/dbraw/zinc/41/40/42/445414042.db2.gz DKOLDGCOIWOMOV-HNNXBMFYSA-N 2 2 333.432 1.464 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000351978936 445414047 /nfs/dbraw/zinc/41/40/47/445414047.db2.gz DKOLDGCOIWOMOV-HNNXBMFYSA-N 2 2 333.432 1.464 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000348858885 445418634 /nfs/dbraw/zinc/41/86/34/445418634.db2.gz HFTZCOHAODUNOX-MJGOQNOKSA-N 2 2 342.443 1.791 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000348858885 445418638 /nfs/dbraw/zinc/41/86/38/445418638.db2.gz HFTZCOHAODUNOX-MJGOQNOKSA-N 2 2 342.443 1.791 20 0 EDADLP CCCn1cc(C[NH2+]C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354856186 445428298 /nfs/dbraw/zinc/42/82/98/445428298.db2.gz JCGGCCDFOKVCJX-HZPDHXFCSA-N 2 2 334.443 1.729 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000352001760 445429720 /nfs/dbraw/zinc/42/97/20/445429720.db2.gz CVBQTSRXXFEIMZ-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000352001760 445429722 /nfs/dbraw/zinc/42/97/22/445429722.db2.gz CVBQTSRXXFEIMZ-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000352001760 445429724 /nfs/dbraw/zinc/42/97/24/445429724.db2.gz CVBQTSRXXFEIMZ-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000352001760 445429727 /nfs/dbraw/zinc/42/97/27/445429727.db2.gz CVBQTSRXXFEIMZ-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000355307193 445453294 /nfs/dbraw/zinc/45/32/94/445453294.db2.gz HAADKMNXDROUTD-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000355307193 445453298 /nfs/dbraw/zinc/45/32/98/445453298.db2.gz HAADKMNXDROUTD-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000348973846 445462270 /nfs/dbraw/zinc/46/22/70/445462270.db2.gz USRXQGXQVGEKNN-IRXDYDNUSA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000348973846 445462274 /nfs/dbraw/zinc/46/22/74/445462274.db2.gz USRXQGXQVGEKNN-IRXDYDNUSA-N 2 2 325.497 1.726 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000349109410 445510069 /nfs/dbraw/zinc/51/00/69/445510069.db2.gz MYBMHVWVYOLBQV-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000349109410 445510073 /nfs/dbraw/zinc/51/00/73/445510073.db2.gz MYBMHVWVYOLBQV-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362811060 445560167 /nfs/dbraw/zinc/56/01/67/445560167.db2.gz KQAWDVSLVWSLTG-IRXDYDNUSA-N 2 2 346.475 1.525 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362811060 445560169 /nfs/dbraw/zinc/56/01/69/445560169.db2.gz KQAWDVSLVWSLTG-IRXDYDNUSA-N 2 2 346.475 1.525 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000353101182 445575324 /nfs/dbraw/zinc/57/53/24/445575324.db2.gz WJVQIUKSKNBIHG-CQSZACIVSA-N 2 2 326.466 1.051 20 0 EDADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000356038341 445583809 /nfs/dbraw/zinc/58/38/09/445583809.db2.gz SCKUZOFWLSWTKR-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000356038341 445583812 /nfs/dbraw/zinc/58/38/12/445583812.db2.gz SCKUZOFWLSWTKR-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353520772 445640215 /nfs/dbraw/zinc/64/02/15/445640215.db2.gz OWHZZUAZEHMURA-AYOQOUSVSA-N 2 2 342.487 1.923 20 0 EDADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000353540929 445649086 /nfs/dbraw/zinc/64/90/86/445649086.db2.gz HVEJYRBWEGRIAD-LSDHHAIUSA-N 2 2 341.496 1.639 20 0 EDADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000353540929 445649092 /nfs/dbraw/zinc/64/90/92/445649092.db2.gz HVEJYRBWEGRIAD-LSDHHAIUSA-N 2 2 341.496 1.639 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000360247404 445655457 /nfs/dbraw/zinc/65/54/57/445655457.db2.gz BMRFXUFHUFZBLH-RHSMWYFYSA-N 2 2 339.505 1.803 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000360247404 445655461 /nfs/dbraw/zinc/65/54/61/445655461.db2.gz BMRFXUFHUFZBLH-RHSMWYFYSA-N 2 2 339.505 1.803 20 0 EDADLP Cc1nc(C)n(C[C@@H]2C[N@H+](CCCc3ccc(C)[nH+]c3)CCO2)n1 ZINC000353626697 445681686 /nfs/dbraw/zinc/68/16/86/445681686.db2.gz QMDMUJJQSAYTRN-SFHVURJKSA-N 2 2 329.448 1.932 20 0 EDADLP Cc1nc(C)n(C[C@@H]2C[N@@H+](CCCc3ccc(C)[nH+]c3)CCO2)n1 ZINC000353626697 445681689 /nfs/dbraw/zinc/68/16/89/445681689.db2.gz QMDMUJJQSAYTRN-SFHVURJKSA-N 2 2 329.448 1.932 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2 ZINC000363127453 445687994 /nfs/dbraw/zinc/68/79/94/445687994.db2.gz AELNEMPKGSCCNU-QGZVFWFLSA-N 2 2 327.432 1.791 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H](C)[N@H+]1C ZINC000358661246 445700085 /nfs/dbraw/zinc/70/00/85/445700085.db2.gz HOMBNMOMLGHNLH-SCTDSRPQSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1C ZINC000358661246 445700088 /nfs/dbraw/zinc/70/00/88/445700088.db2.gz HOMBNMOMLGHNLH-SCTDSRPQSA-N 2 2 344.503 1.526 20 0 EDADLP COc1c(O)cccc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353678179 445703999 /nfs/dbraw/zinc/70/39/99/445703999.db2.gz ZWXMQBPLCPJXTQ-UHFFFAOYSA-N 2 2 335.448 1.483 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)CC(C)C ZINC000349760463 445670300 /nfs/dbraw/zinc/67/03/00/445670300.db2.gz XAMQVWXKOUUEQO-DLBZAZTESA-N 2 2 341.544 1.288 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)CC(C)C ZINC000349760463 445670302 /nfs/dbraw/zinc/67/03/02/445670302.db2.gz XAMQVWXKOUUEQO-DLBZAZTESA-N 2 2 341.544 1.288 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000356293836 445722144 /nfs/dbraw/zinc/72/21/44/445722144.db2.gz MARWVWCPKKCBOV-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000356293836 445722146 /nfs/dbraw/zinc/72/21/46/445722146.db2.gz MARWVWCPKKCBOV-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000349976881 445739675 /nfs/dbraw/zinc/73/96/75/445739675.db2.gz XLDUCEPBZLYATI-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000349976881 445739680 /nfs/dbraw/zinc/73/96/80/445739680.db2.gz XLDUCEPBZLYATI-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[NH+](CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000349976881 445739684 /nfs/dbraw/zinc/73/96/84/445739684.db2.gz XLDUCEPBZLYATI-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000349976881 445739689 /nfs/dbraw/zinc/73/96/89/445739689.db2.gz XLDUCEPBZLYATI-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000350095764 445767675 /nfs/dbraw/zinc/76/76/75/445767675.db2.gz JVKOWEMEENVUIY-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000350095764 445767677 /nfs/dbraw/zinc/76/76/77/445767677.db2.gz JVKOWEMEENVUIY-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000350095764 445767680 /nfs/dbraw/zinc/76/76/80/445767680.db2.gz JVKOWEMEENVUIY-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000350095764 445767683 /nfs/dbraw/zinc/76/76/83/445767683.db2.gz JVKOWEMEENVUIY-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1(C)C ZINC000353947624 445823365 /nfs/dbraw/zinc/82/33/65/445823365.db2.gz NSJTUOMTBKTFAQ-LDBYLJPUSA-N 2 2 337.508 1.863 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1(C)C ZINC000353947624 445823366 /nfs/dbraw/zinc/82/33/66/445823366.db2.gz NSJTUOMTBKTFAQ-LDBYLJPUSA-N 2 2 337.508 1.863 20 0 EDADLP CC[N@H+](C[C@@H](C)OC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000361567413 445823709 /nfs/dbraw/zinc/82/37/09/445823709.db2.gz WNNAJRNVPOUQDM-CVEARBPZSA-N 2 2 334.464 1.476 20 0 EDADLP CC[N@@H+](C[C@@H](C)OC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000361567413 445823712 /nfs/dbraw/zinc/82/37/12/445823712.db2.gz WNNAJRNVPOUQDM-CVEARBPZSA-N 2 2 334.464 1.476 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000358999197 445880708 /nfs/dbraw/zinc/88/07/08/445880708.db2.gz UJTGEWVVAFYOSO-HUUCEWRRSA-N 2 2 333.436 1.527 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000358999197 445880710 /nfs/dbraw/zinc/88/07/10/445880710.db2.gz UJTGEWVVAFYOSO-HUUCEWRRSA-N 2 2 333.436 1.527 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000358999197 445880713 /nfs/dbraw/zinc/88/07/13/445880713.db2.gz UJTGEWVVAFYOSO-HUUCEWRRSA-N 2 2 333.436 1.527 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000358999197 445880714 /nfs/dbraw/zinc/88/07/14/445880714.db2.gz UJTGEWVVAFYOSO-HUUCEWRRSA-N 2 2 333.436 1.527 20 0 EDADLP c1ccc(C[NH+]2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)nc1 ZINC000354065946 445883643 /nfs/dbraw/zinc/88/36/43/445883643.db2.gz RAXLSACVHHJTJL-UHFFFAOYSA-N 2 2 340.431 1.030 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCOC1 ZINC000361591209 445837821 /nfs/dbraw/zinc/83/78/21/445837821.db2.gz YERZMYKPHKWQJJ-MRXNPFEDSA-N 2 2 337.489 1.503 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCOC1 ZINC000361591209 445837823 /nfs/dbraw/zinc/83/78/23/445837823.db2.gz YERZMYKPHKWQJJ-MRXNPFEDSA-N 2 2 337.489 1.503 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c[nH+]1 ZINC000356524083 445840333 /nfs/dbraw/zinc/84/03/33/445840333.db2.gz KFTPOHVPWPDXCO-UHFFFAOYSA-N 2 2 340.493 1.137 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c[nH+]1 ZINC000356524083 445840335 /nfs/dbraw/zinc/84/03/35/445840335.db2.gz KFTPOHVPWPDXCO-UHFFFAOYSA-N 2 2 340.493 1.137 20 0 EDADLP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000358913968 445845487 /nfs/dbraw/zinc/84/54/87/445845487.db2.gz JPJKJGIDOBQJCW-QGZVFWFLSA-N 2 2 328.464 1.511 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363540470 445850452 /nfs/dbraw/zinc/85/04/52/445850452.db2.gz WWZBQGVWFMBAKH-RBUKOAKNSA-N 2 2 344.503 1.528 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363540470 445850454 /nfs/dbraw/zinc/85/04/54/445850454.db2.gz WWZBQGVWFMBAKH-RBUKOAKNSA-N 2 2 344.503 1.528 20 0 EDADLP CC[C@@H](C)[C@H](OC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000356568258 445862770 /nfs/dbraw/zinc/86/27/70/445862770.db2.gz SHROIGLXQBSRBS-WKUFJEKOSA-N 2 2 337.508 1.817 20 0 EDADLP CC[C@@H](C)[C@H](OC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000356568258 445862776 /nfs/dbraw/zinc/86/27/76/445862776.db2.gz SHROIGLXQBSRBS-WKUFJEKOSA-N 2 2 337.508 1.817 20 0 EDADLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)COC2CCOCC2)[NH+](C)C)cc1 ZINC000582057641 325762719 /nfs/dbraw/zinc/76/27/19/325762719.db2.gz YIFOBUYLHPSZJV-MJGOQNOKSA-N 2 2 336.476 1.744 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000361778653 445936613 /nfs/dbraw/zinc/93/66/13/445936613.db2.gz BSZMSPUGTGQYRO-OAHLLOKOSA-N 2 2 330.436 1.997 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C[C@H](C)[N@H+]1CCO ZINC000364624117 445938683 /nfs/dbraw/zinc/93/86/83/445938683.db2.gz PEEOZMJQVNDDNM-GQIGUUNPSA-N 2 2 345.487 1.303 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C[C@H](C)[N@@H+]1CCO ZINC000364624117 445938688 /nfs/dbraw/zinc/93/86/88/445938688.db2.gz PEEOZMJQVNDDNM-GQIGUUNPSA-N 2 2 345.487 1.303 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]CCO2)cc1F ZINC000361727900 445901247 /nfs/dbraw/zinc/90/12/47/445901247.db2.gz MYYUCSOJKIKDJV-BDJLRTHQSA-N 2 2 332.379 1.485 20 0 EDADLP CO[C@@H]1CC[N@H+](CCC(=O)N2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000359038670 445901400 /nfs/dbraw/zinc/90/14/00/445901400.db2.gz GCTIWPDXUBTLSD-HUUCEWRRSA-N 2 2 337.489 1.461 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCC(=O)N2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000359038670 445901403 /nfs/dbraw/zinc/90/14/03/445901403.db2.gz GCTIWPDXUBTLSD-HUUCEWRRSA-N 2 2 337.489 1.461 20 0 EDADLP CO[C@H]1CC[N@H+](CCC(=O)N2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000359038666 445902121 /nfs/dbraw/zinc/90/21/21/445902121.db2.gz GCTIWPDXUBTLSD-CABCVRRESA-N 2 2 337.489 1.461 20 0 EDADLP CO[C@H]1CC[N@@H+](CCC(=O)N2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000359038666 445902127 /nfs/dbraw/zinc/90/21/27/445902127.db2.gz GCTIWPDXUBTLSD-CABCVRRESA-N 2 2 337.489 1.461 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000582302226 325816199 /nfs/dbraw/zinc/81/61/99/325816199.db2.gz KREMXUCQIFXSPM-KRWDZBQOSA-N 2 2 331.460 1.443 20 0 EDADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H](C[NH3+])C1 ZINC000359046276 445909753 /nfs/dbraw/zinc/90/97/53/445909753.db2.gz RIODVNKSFUMECZ-CABCVRRESA-N 2 2 327.375 1.732 20 0 EDADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H](C[NH3+])C1 ZINC000359046276 445909760 /nfs/dbraw/zinc/90/97/60/445909760.db2.gz RIODVNKSFUMECZ-CABCVRRESA-N 2 2 327.375 1.732 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000366012492 445961501 /nfs/dbraw/zinc/96/15/01/445961501.db2.gz QZNBVCHFCFUFDG-IAGOWNOFSA-N 2 2 333.480 1.320 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000366012492 445961502 /nfs/dbraw/zinc/96/15/02/445961502.db2.gz QZNBVCHFCFUFDG-IAGOWNOFSA-N 2 2 333.480 1.320 20 0 EDADLP C[N@H+](C[C@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373010110 445972936 /nfs/dbraw/zinc/97/29/36/445972936.db2.gz BGPQXXNLXIKBIA-XLIONFOSSA-N 2 2 344.455 1.651 20 0 EDADLP C[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373010110 445972939 /nfs/dbraw/zinc/97/29/39/445972939.db2.gz BGPQXXNLXIKBIA-XLIONFOSSA-N 2 2 344.455 1.651 20 0 EDADLP C[NH+](C[C@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373010110 445972947 /nfs/dbraw/zinc/97/29/47/445972947.db2.gz BGPQXXNLXIKBIA-XLIONFOSSA-N 2 2 344.455 1.651 20 0 EDADLP C[NH+](C[C@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000373010110 445972952 /nfs/dbraw/zinc/97/29/52/445972952.db2.gz BGPQXXNLXIKBIA-XLIONFOSSA-N 2 2 344.455 1.651 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CCO2)CC1 ZINC000369186182 445976606 /nfs/dbraw/zinc/97/66/06/445976606.db2.gz AMDZKXDYQBZQCB-SFHVURJKSA-N 2 2 331.460 1.070 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CCO2)CC1 ZINC000369186182 445976615 /nfs/dbraw/zinc/97/66/15/445976615.db2.gz AMDZKXDYQBZQCB-SFHVURJKSA-N 2 2 331.460 1.070 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)C[C@H]21 ZINC000365039419 445986552 /nfs/dbraw/zinc/98/65/52/445986552.db2.gz FJFCBGMORAQQKS-OWCLPIDISA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)C[C@H]21 ZINC000365039419 445986559 /nfs/dbraw/zinc/98/65/59/445986559.db2.gz FJFCBGMORAQQKS-OWCLPIDISA-N 2 2 331.464 1.358 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000582685334 325903467 /nfs/dbraw/zinc/90/34/67/325903467.db2.gz RUVBZSYXEVJWAZ-INIZCTEOSA-N 2 2 332.404 1.261 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n(C)c1C ZINC000366066979 445991554 /nfs/dbraw/zinc/99/15/54/445991554.db2.gz HCSACJCIJZUVST-ZBFHGGJFSA-N 2 2 335.448 1.463 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@@H]3CO2)n(C)c1C ZINC000366066979 445991558 /nfs/dbraw/zinc/99/15/58/445991558.db2.gz HCSACJCIJZUVST-ZBFHGGJFSA-N 2 2 335.448 1.463 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@H](O)c1ccccc1 ZINC000369135114 445946872 /nfs/dbraw/zinc/94/68/72/445946872.db2.gz SRELKFHHEYBICH-QXAKKESOSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000369135114 445946876 /nfs/dbraw/zinc/94/68/76/445946876.db2.gz SRELKFHHEYBICH-QXAKKESOSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000369135114 445946883 /nfs/dbraw/zinc/94/68/83/445946883.db2.gz SRELKFHHEYBICH-QXAKKESOSA-N 2 2 333.476 1.057 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000582833043 325937847 /nfs/dbraw/zinc/93/78/47/325937847.db2.gz YQQMJXVFERFHPJ-INIZCTEOSA-N 2 2 335.496 1.433 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)ccc2[nH+]1 ZINC000359209240 446037954 /nfs/dbraw/zinc/03/79/54/446037954.db2.gz AGANECTVXOQMPL-OAHLLOKOSA-N 2 2 343.431 1.380 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)ccc2[nH+]1 ZINC000359209240 446037961 /nfs/dbraw/zinc/03/79/61/446037961.db2.gz AGANECTVXOQMPL-OAHLLOKOSA-N 2 2 343.431 1.380 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCN(C3CCCCC3)C2=O)CCO1 ZINC000625562266 450428624 /nfs/dbraw/zinc/42/86/24/450428624.db2.gz HZSFMGZBIGCFGZ-MSOLQXFVSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)CCO1 ZINC000625562266 450428627 /nfs/dbraw/zinc/42/86/27/450428627.db2.gz HZSFMGZBIGCFGZ-MSOLQXFVSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2c(C)cc(OC)nc2C)CC1 ZINC000359232548 446062968 /nfs/dbraw/zinc/06/29/68/446062968.db2.gz VVFGRRFPSLWYRD-UHFFFAOYSA-N 2 2 348.491 1.693 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000584221543 326222108 /nfs/dbraw/zinc/22/21/08/326222108.db2.gz SIWDCHHQPQCYHL-IYBDPMFKSA-N 2 2 325.416 1.908 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584232501 326225620 /nfs/dbraw/zinc/22/56/20/326225620.db2.gz XMWOGCIEONIWKQ-IIDMSEBBSA-N 2 2 336.480 1.466 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584232501 326225621 /nfs/dbraw/zinc/22/56/21/326225621.db2.gz XMWOGCIEONIWKQ-IIDMSEBBSA-N 2 2 336.480 1.466 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354265342 446060617 /nfs/dbraw/zinc/06/06/17/446060617.db2.gz OEXPMWILFZLUTJ-HNNXBMFYSA-N 2 2 336.484 1.530 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354265342 446060621 /nfs/dbraw/zinc/06/06/21/446060621.db2.gz OEXPMWILFZLUTJ-HNNXBMFYSA-N 2 2 336.484 1.530 20 0 EDADLP CC(C)OCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373172557 446072265 /nfs/dbraw/zinc/07/22/65/446072265.db2.gz FOZLAEAODUULQX-INIZCTEOSA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)OCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373172557 446072268 /nfs/dbraw/zinc/07/22/68/446072268.db2.gz FOZLAEAODUULQX-INIZCTEOSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccccc1C[NH+](C)C ZINC000366188772 446072921 /nfs/dbraw/zinc/07/29/21/446072921.db2.gz XABWFSBPZOSCFA-DOTOQJQBSA-N 2 2 331.460 1.683 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]12 ZINC000351473260 446074732 /nfs/dbraw/zinc/07/47/32/446074732.db2.gz DDKBVRHYBOWNRD-BPLDGKMQSA-N 2 2 331.416 1.456 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]12 ZINC000351473260 446074737 /nfs/dbraw/zinc/07/47/37/446074737.db2.gz DDKBVRHYBOWNRD-BPLDGKMQSA-N 2 2 331.416 1.456 20 0 EDADLP CO[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000361929483 446079157 /nfs/dbraw/zinc/07/91/57/446079157.db2.gz NNZICVHQFIOIBF-DLBZAZTESA-N 2 2 325.497 1.186 20 0 EDADLP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000361929483 446079165 /nfs/dbraw/zinc/07/91/65/446079165.db2.gz NNZICVHQFIOIBF-DLBZAZTESA-N 2 2 325.497 1.186 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000356930182 446134541 /nfs/dbraw/zinc/13/45/41/446134541.db2.gz JGKWRCHLCGXLBD-INIZCTEOSA-N 2 2 332.448 1.327 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C1 ZINC000356930182 446134549 /nfs/dbraw/zinc/13/45/49/446134549.db2.gz JGKWRCHLCGXLBD-INIZCTEOSA-N 2 2 332.448 1.327 20 0 EDADLP C[C@@H]1[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1(F)F ZINC000359305226 446137653 /nfs/dbraw/zinc/13/76/53/446137653.db2.gz AXLPLIQRYONDRZ-KGLIPLIRSA-N 2 2 329.435 1.954 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000369646132 446137659 /nfs/dbraw/zinc/13/76/59/446137659.db2.gz GFCMUNHSSCDZLY-WMLDXEAASA-N 2 2 342.443 2.422 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000369646132 446137663 /nfs/dbraw/zinc/13/76/63/446137663.db2.gz GFCMUNHSSCDZLY-WMLDXEAASA-N 2 2 342.443 2.422 20 0 EDADLP C[C@H](CNc1cc[nH+]c(N(C)C)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000354313415 446105060 /nfs/dbraw/zinc/10/50/60/446105060.db2.gz WVGBZXXERPIQQK-MRXNPFEDSA-N 2 2 340.475 2.165 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[NH+]1CCC(C)CC1 ZINC000354344776 446128250 /nfs/dbraw/zinc/12/82/50/446128250.db2.gz ANRMGMSILPSATF-FUHWJXTLSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)[NH+]1CCC(C)CC1 ZINC000354344776 446128256 /nfs/dbraw/zinc/12/82/56/446128256.db2.gz ANRMGMSILPSATF-FUHWJXTLSA-N 2 2 337.508 1.724 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CCN1C ZINC000369526163 446128395 /nfs/dbraw/zinc/12/83/95/446128395.db2.gz FQROGZNJYOIJGO-INIZCTEOSA-N 2 2 348.495 1.294 20 0 EDADLP C([NH+]1CCC[C@H]2OCC[C@H]21)C1(C[N@@H+]2CCC[C@H]3OCC[C@H]32)COC1 ZINC000369556675 446131130 /nfs/dbraw/zinc/13/11/30/446131130.db2.gz OIUYKJTXRYLVTP-BRSBDYLESA-N 2 2 336.476 1.510 20 0 EDADLP C([NH+]1CCC[C@H]2OCC[C@H]21)C1(C[N@H+]2CCC[C@H]3OCC[C@H]32)COC1 ZINC000369556675 446131137 /nfs/dbraw/zinc/13/11/37/446131137.db2.gz OIUYKJTXRYLVTP-BRSBDYLESA-N 2 2 336.476 1.510 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1N(C)C ZINC000369825423 446158827 /nfs/dbraw/zinc/15/88/27/446158827.db2.gz ISENAXIZURYCIK-PKOBYXMFSA-N 2 2 346.519 1.589 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1N(C)C ZINC000369825423 446158831 /nfs/dbraw/zinc/15/88/31/446158831.db2.gz ISENAXIZURYCIK-PKOBYXMFSA-N 2 2 346.519 1.589 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1N(C)C ZINC000369825423 446158836 /nfs/dbraw/zinc/15/88/36/446158836.db2.gz ISENAXIZURYCIK-PKOBYXMFSA-N 2 2 346.519 1.589 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1N(C)C ZINC000369825423 446158839 /nfs/dbraw/zinc/15/88/39/446158839.db2.gz ISENAXIZURYCIK-PKOBYXMFSA-N 2 2 346.519 1.589 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1CO ZINC000362071142 446192330 /nfs/dbraw/zinc/19/23/30/446192330.db2.gz XRAAFPZUYMFXFJ-RDJZCZTQSA-N 2 2 347.459 1.018 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1CO ZINC000362071142 446192336 /nfs/dbraw/zinc/19/23/36/446192336.db2.gz XRAAFPZUYMFXFJ-RDJZCZTQSA-N 2 2 347.459 1.018 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000369882346 446163633 /nfs/dbraw/zinc/16/36/33/446163633.db2.gz XSYYHAGYTRRYBL-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000369882346 446163636 /nfs/dbraw/zinc/16/36/36/446163636.db2.gz XSYYHAGYTRRYBL-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000369889931 446164769 /nfs/dbraw/zinc/16/47/69/446164769.db2.gz VJYMMZOSFWEFGB-HNNXBMFYSA-N 2 2 349.479 1.198 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000369889931 446164778 /nfs/dbraw/zinc/16/47/78/446164778.db2.gz VJYMMZOSFWEFGB-HNNXBMFYSA-N 2 2 349.479 1.198 20 0 EDADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351573723 446170847 /nfs/dbraw/zinc/17/08/47/446170847.db2.gz LRGBGOIQMQKBPU-WOJBJXKFSA-N 2 2 347.503 1.413 20 0 EDADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351573723 446170849 /nfs/dbraw/zinc/17/08/49/446170849.db2.gz LRGBGOIQMQKBPU-WOJBJXKFSA-N 2 2 347.503 1.413 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CCN1C ZINC000366371190 446177630 /nfs/dbraw/zinc/17/76/30/446177630.db2.gz JXPMFROXYMKJQS-SFHVURJKSA-N 2 2 345.466 1.980 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)CCN1C ZINC000366371190 446177635 /nfs/dbraw/zinc/17/76/35/446177635.db2.gz JXPMFROXYMKJQS-SFHVURJKSA-N 2 2 345.466 1.980 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365403511 446191077 /nfs/dbraw/zinc/19/10/77/446191077.db2.gz NICJEBJIBPFWIV-OWCLPIDISA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365403511 446191085 /nfs/dbraw/zinc/19/10/85/446191085.db2.gz NICJEBJIBPFWIV-OWCLPIDISA-N 2 2 338.496 1.807 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359312355 446143091 /nfs/dbraw/zinc/14/30/91/446143091.db2.gz UYIWYIGLVULSSV-KBMXLJTQSA-N 2 2 326.444 1.366 20 0 EDADLP COCC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[NH2+]C1 ZINC000366326119 446152348 /nfs/dbraw/zinc/15/23/48/446152348.db2.gz DGKWPNKMQHIOQH-IBGZPJMESA-N 2 2 346.475 1.704 20 0 EDADLP C[NH+](C)[C@H]1CCCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000365481532 446226896 /nfs/dbraw/zinc/22/68/96/446226896.db2.gz FWYOJSUYWKAYKF-HOTGVXAUSA-N 2 2 333.480 1.748 20 0 EDADLP C[NH+](C)[C@H]1CCCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000365481532 446226898 /nfs/dbraw/zinc/22/68/98/446226898.db2.gz FWYOJSUYWKAYKF-HOTGVXAUSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000373474078 446229156 /nfs/dbraw/zinc/22/91/56/446229156.db2.gz KZXIJLNEZLTQRJ-RBSFLKMASA-N 2 2 330.494 1.043 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000373474078 446229160 /nfs/dbraw/zinc/22/91/60/446229160.db2.gz KZXIJLNEZLTQRJ-RBSFLKMASA-N 2 2 330.494 1.043 20 0 EDADLP CSCCONC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000373487183 446234153 /nfs/dbraw/zinc/23/41/53/446234153.db2.gz VGRVCKIGMGKEQK-YIONKMFJSA-N 2 2 342.509 1.233 20 0 EDADLP CSCCONC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000373487183 446234157 /nfs/dbraw/zinc/23/41/57/446234157.db2.gz VGRVCKIGMGKEQK-YIONKMFJSA-N 2 2 342.509 1.233 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366552701 446259447 /nfs/dbraw/zinc/25/94/47/446259447.db2.gz DJQSCOUWIUGNJR-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366552701 446259451 /nfs/dbraw/zinc/25/94/51/446259451.db2.gz DJQSCOUWIUGNJR-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[NH+](CCC2CC[NH+](CC3N=NC(=O)S3)CC2)C[C@@H](C)O1 ZINC000373754516 446326091 /nfs/dbraw/zinc/32/60/91/446326091.db2.gz QHDRGSVKORQGTL-CHWSQXEVSA-N 2 2 340.493 1.955 20 0 EDADLP CCCCNc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)nc(N)[nH+]1 ZINC000374033080 446348174 /nfs/dbraw/zinc/34/81/74/446348174.db2.gz KSBBJOMZZLEURK-AWEZNQCLSA-N 2 2 348.495 1.960 20 0 EDADLP CCCCNc1cc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)nc(N)[nH+]1 ZINC000374033080 446348179 /nfs/dbraw/zinc/34/81/79/446348179.db2.gz KSBBJOMZZLEURK-AWEZNQCLSA-N 2 2 348.495 1.960 20 0 EDADLP CCCCNc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)[nH+]c(N)n1 ZINC000374033080 446348184 /nfs/dbraw/zinc/34/81/84/446348184.db2.gz KSBBJOMZZLEURK-AWEZNQCLSA-N 2 2 348.495 1.960 20 0 EDADLP CCCCNc1cc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)[nH+]c(N)n1 ZINC000374033080 446348188 /nfs/dbraw/zinc/34/81/88/446348188.db2.gz KSBBJOMZZLEURK-AWEZNQCLSA-N 2 2 348.495 1.960 20 0 EDADLP Cc1cc(N2CCC([N@H+](C)C[C@@H]3CNC(=O)O3)CC2)nc(C(C)C)[nH+]1 ZINC000366784643 446349676 /nfs/dbraw/zinc/34/96/76/446349676.db2.gz ZHBWWNCTVCBGSQ-HNNXBMFYSA-N 2 2 347.463 1.917 20 0 EDADLP Cc1cc(N2CCC([N@@H+](C)C[C@@H]3CNC(=O)O3)CC2)nc(C(C)C)[nH+]1 ZINC000366784643 446349682 /nfs/dbraw/zinc/34/96/82/446349682.db2.gz ZHBWWNCTVCBGSQ-HNNXBMFYSA-N 2 2 347.463 1.917 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3ccccn3)CC2)CC1 ZINC000366798625 446357501 /nfs/dbraw/zinc/35/75/01/446357501.db2.gz WYHHVVNENBVQKD-INIZCTEOSA-N 2 2 330.476 1.814 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417658938 446367933 /nfs/dbraw/zinc/36/79/33/446367933.db2.gz KLRFHUZFAJDPGF-BXUZGUMPSA-N 2 2 328.407 1.722 20 0 EDADLP CCS(=O)(=O)CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370683494 446386180 /nfs/dbraw/zinc/38/61/80/446386180.db2.gz VWHNYGYYOMGPNM-QZTJIDSGSA-N 2 2 336.501 1.875 20 0 EDADLP CCS(=O)(=O)CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370683494 446386182 /nfs/dbraw/zinc/38/61/82/446386182.db2.gz VWHNYGYYOMGPNM-QZTJIDSGSA-N 2 2 336.501 1.875 20 0 EDADLP CCS(=O)(=O)CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370683494 446386185 /nfs/dbraw/zinc/38/61/85/446386185.db2.gz VWHNYGYYOMGPNM-QZTJIDSGSA-N 2 2 336.501 1.875 20 0 EDADLP CCS(=O)(=O)CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370683494 446386189 /nfs/dbraw/zinc/38/61/89/446386189.db2.gz VWHNYGYYOMGPNM-QZTJIDSGSA-N 2 2 336.501 1.875 20 0 EDADLP CN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945468 446394836 /nfs/dbraw/zinc/39/48/36/446394836.db2.gz QZPDIRMVVBSSEZ-ZIAGYGMSSA-N 2 2 328.819 1.824 20 0 EDADLP CN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945468 446394838 /nfs/dbraw/zinc/39/48/38/446394838.db2.gz QZPDIRMVVBSSEZ-ZIAGYGMSSA-N 2 2 328.819 1.824 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCn2cc(CO)nn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423123383 446430397 /nfs/dbraw/zinc/43/03/97/446430397.db2.gz MNNJBGBUKAPFOX-ZWKOTPCHSA-N 2 2 345.447 1.252 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc(N2CCCC2)n1 ZINC000423137352 446436210 /nfs/dbraw/zinc/43/62/10/446436210.db2.gz WEOHREZNAGRPOV-RCCFBDPRSA-N 2 2 345.491 1.632 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418004573 446412682 /nfs/dbraw/zinc/41/26/82/446412682.db2.gz ZSOHBHUDHXZREW-ZFWWWQNUSA-N 2 2 344.381 1.839 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000418004573 446412687 /nfs/dbraw/zinc/41/26/87/446412687.db2.gz ZSOHBHUDHXZREW-ZFWWWQNUSA-N 2 2 344.381 1.839 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000420295838 446457017 /nfs/dbraw/zinc/45/70/17/446457017.db2.gz WEEVXWIDNNNPTJ-CVEARBPZSA-N 2 2 347.459 1.642 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000420295838 446457022 /nfs/dbraw/zinc/45/70/22/446457022.db2.gz WEEVXWIDNNNPTJ-CVEARBPZSA-N 2 2 347.459 1.642 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000420295103 446458288 /nfs/dbraw/zinc/45/82/88/446458288.db2.gz UUPRPZSVJMYFBV-ZFWWWQNUSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000420295103 446458291 /nfs/dbraw/zinc/45/82/91/446458291.db2.gz UUPRPZSVJMYFBV-ZFWWWQNUSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420300868 446463699 /nfs/dbraw/zinc/46/36/99/446463699.db2.gz VJSNYNWACASBFU-VXGBXAGGSA-N 2 2 339.461 1.841 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420300868 446463705 /nfs/dbraw/zinc/46/37/05/446463705.db2.gz VJSNYNWACASBFU-VXGBXAGGSA-N 2 2 339.461 1.841 20 0 EDADLP CN(C(=O)c1n[nH]c2c1CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829772 446463665 /nfs/dbraw/zinc/46/36/65/446463665.db2.gz IWVMQOGSRSOADC-HNNXBMFYSA-N 2 2 345.491 1.529 20 0 EDADLP CN(C(=O)c1n[nH]c2c1CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829772 446463670 /nfs/dbraw/zinc/46/36/70/446463670.db2.gz IWVMQOGSRSOADC-HNNXBMFYSA-N 2 2 345.491 1.529 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+][C@@H]3C)CC2)cc1F ZINC000423309160 446482970 /nfs/dbraw/zinc/48/29/70/446482970.db2.gz PKDDMEBUFOOYPU-ZBFHGGJFSA-N 2 2 349.450 1.867 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)c2cn(CCCC[NH3+])nn2)c[nH+]1 ZINC000423334490 446492403 /nfs/dbraw/zinc/49/24/03/446492403.db2.gz PARIMXMXJWXSMY-UHFFFAOYSA-N 2 2 345.451 1.188 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)n2c1 ZINC000370894542 446502774 /nfs/dbraw/zinc/50/27/74/446502774.db2.gz BXZWPNDHFNPTKA-UGSOOPFHSA-N 2 2 341.415 1.453 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)N1CC[NH+](C2CCC2)CC1 ZINC000367088969 446504405 /nfs/dbraw/zinc/50/44/05/446504405.db2.gz GAIYWYKFXHDPPG-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)N1CC[NH+](C2CCC2)CC1 ZINC000367088969 446504411 /nfs/dbraw/zinc/50/44/11/446504411.db2.gz GAIYWYKFXHDPPG-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)n(-c2ccccc2F)n1 ZINC000420340208 446511934 /nfs/dbraw/zinc/51/19/34/446511934.db2.gz SWANIGLENWKIIQ-UHFFFAOYSA-N 2 2 331.395 1.680 20 0 EDADLP Cc1cc(NC(=O)C[N@H+](C)C2CC([NH3+])C2)n(-c2ccccc2F)n1 ZINC000420340208 446511941 /nfs/dbraw/zinc/51/19/41/446511941.db2.gz SWANIGLENWKIIQ-UHFFFAOYSA-N 2 2 331.395 1.680 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420387636 446562983 /nfs/dbraw/zinc/56/29/83/446562983.db2.gz WBPOSUGGPDNIBP-NVXWUHKLSA-N 2 2 343.431 1.596 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420387636 446562986 /nfs/dbraw/zinc/56/29/86/446562986.db2.gz WBPOSUGGPDNIBP-NVXWUHKLSA-N 2 2 343.431 1.596 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420389946 446564356 /nfs/dbraw/zinc/56/43/56/446564356.db2.gz MQXHGGQYYOBEIH-QGZVFWFLSA-N 2 2 335.448 1.141 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420389946 446564361 /nfs/dbraw/zinc/56/43/61/446564361.db2.gz MQXHGGQYYOBEIH-QGZVFWFLSA-N 2 2 335.448 1.141 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000420388990 446564568 /nfs/dbraw/zinc/56/45/68/446564568.db2.gz NCLIGCOQCNUKNH-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000420388990 446564571 /nfs/dbraw/zinc/56/45/71/446564571.db2.gz NCLIGCOQCNUKNH-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423402752 446520068 /nfs/dbraw/zinc/52/00/68/446520068.db2.gz XBQUNEUXHZGHOW-KFWWJZLASA-N 3 2 328.382 1.557 20 0 EDADLP C[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C[C@@H](O)C[NH3+] ZINC000420349957 446528682 /nfs/dbraw/zinc/52/86/82/446528682.db2.gz FJFRYILMKHECJB-RBUKOAKNSA-N 2 2 341.455 1.338 20 0 EDADLP C[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C[C@@H](O)C[NH3+] ZINC000420349957 446528686 /nfs/dbraw/zinc/52/86/86/446528686.db2.gz FJFRYILMKHECJB-RBUKOAKNSA-N 2 2 341.455 1.338 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418399098 446529609 /nfs/dbraw/zinc/52/96/09/446529609.db2.gz FUIHFDAADWKOMX-KRWDZBQOSA-N 2 2 334.464 1.376 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361041 446541680 /nfs/dbraw/zinc/54/16/80/446541680.db2.gz XSPWXKVGHDXTAT-NXEZZACHSA-N 2 2 330.226 1.028 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361041 446541683 /nfs/dbraw/zinc/54/16/83/446541683.db2.gz XSPWXKVGHDXTAT-NXEZZACHSA-N 2 2 330.226 1.028 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420364176 446544798 /nfs/dbraw/zinc/54/47/98/446544798.db2.gz IIJNZFKLVWBRTG-MAUKXSAKSA-N 2 2 337.464 1.006 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420364176 446544803 /nfs/dbraw/zinc/54/48/03/446544803.db2.gz IIJNZFKLVWBRTG-MAUKXSAKSA-N 2 2 337.464 1.006 20 0 EDADLP CCOC(=O)CN(C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccccc1 ZINC000420375110 446553718 /nfs/dbraw/zinc/55/37/18/446553718.db2.gz SOZSIUCGHYNITR-ZRGWGRIASA-N 2 2 347.459 1.559 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000423500454 446555217 /nfs/dbraw/zinc/55/52/17/446555217.db2.gz AKNYYWFYVZUYCF-QGZVFWFLSA-N 2 2 333.432 1.606 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000423500454 446555224 /nfs/dbraw/zinc/55/52/24/446555224.db2.gz AKNYYWFYVZUYCF-QGZVFWFLSA-N 2 2 333.432 1.606 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000420397351 446572257 /nfs/dbraw/zinc/57/22/57/446572257.db2.gz FYMLHXYFDMJCAM-YYIAUSFCSA-N 2 2 325.497 1.615 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000420397351 446572258 /nfs/dbraw/zinc/57/22/58/446572258.db2.gz FYMLHXYFDMJCAM-YYIAUSFCSA-N 2 2 325.497 1.615 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420402728 446575893 /nfs/dbraw/zinc/57/58/93/446575893.db2.gz KJXPOYRCROXDOW-UONOGXRCSA-N 2 2 333.432 1.353 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420402728 446575899 /nfs/dbraw/zinc/57/58/99/446575899.db2.gz KJXPOYRCROXDOW-UONOGXRCSA-N 2 2 333.432 1.353 20 0 EDADLP CC[N@H+]1C[C@H](NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000423578224 446586085 /nfs/dbraw/zinc/58/60/85/446586085.db2.gz UHKVAWLYTPUJBA-HKUYNNGSSA-N 3 2 330.520 1.910 20 0 EDADLP CC[N@@H+]1C[C@H](NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000423578224 446586092 /nfs/dbraw/zinc/58/60/92/446586092.db2.gz UHKVAWLYTPUJBA-HKUYNNGSSA-N 3 2 330.520 1.910 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000420416204 446588963 /nfs/dbraw/zinc/58/89/63/446588963.db2.gz VJHMCLLCSRGQLB-SQNIBIBYSA-N 2 2 344.503 1.546 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000420416204 446588968 /nfs/dbraw/zinc/58/89/68/446588968.db2.gz VJHMCLLCSRGQLB-SQNIBIBYSA-N 2 2 344.503 1.546 20 0 EDADLP CC(C)[N@H+]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](C)C1 ZINC000375258073 446676456 /nfs/dbraw/zinc/67/64/56/446676456.db2.gz KNZKKQYBVVSUJQ-TWMKSMIVSA-N 2 2 330.476 1.999 20 0 EDADLP CC(C)[N@@H+]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](C)C1 ZINC000375258073 446676460 /nfs/dbraw/zinc/67/64/60/446676460.db2.gz KNZKKQYBVVSUJQ-TWMKSMIVSA-N 2 2 330.476 1.999 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000371140358 446650665 /nfs/dbraw/zinc/65/06/65/446650665.db2.gz WYAVBRDKHMSIET-XLIONFOSSA-N 2 2 345.487 1.305 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)C1CCOCC1 ZINC000423706887 446651037 /nfs/dbraw/zinc/65/10/37/446651037.db2.gz CLAZCRDTFQFNTJ-KRWDZBQOSA-N 2 2 335.423 1.224 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](n3cccn3)C2)CC1 ZINC000371144640 446653305 /nfs/dbraw/zinc/65/33/05/446653305.db2.gz JVKSFXIGNFZYGB-QGZVFWFLSA-N 2 2 348.495 1.256 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000371145616 446655522 /nfs/dbraw/zinc/65/55/22/446655522.db2.gz MTOGLWZFKDLYPG-GOSISDBHSA-N 2 2 345.487 1.001 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000376701468 446662265 /nfs/dbraw/zinc/66/22/65/446662265.db2.gz RCKXSMHTYOMDAU-RBUKOAKNSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000376701468 446662270 /nfs/dbraw/zinc/66/22/70/446662270.db2.gz RCKXSMHTYOMDAU-RBUKOAKNSA-N 2 2 349.519 1.964 20 0 EDADLP C[NH2+]CCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423742662 446672893 /nfs/dbraw/zinc/67/28/93/446672893.db2.gz JGTDFWRBVVNWCQ-UHFFFAOYSA-N 2 2 335.839 1.241 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375180303 446628032 /nfs/dbraw/zinc/62/80/32/446628032.db2.gz LIVUIHGQJHWOIQ-CQSZACIVSA-N 2 2 335.452 1.129 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375180303 446628040 /nfs/dbraw/zinc/62/80/40/446628040.db2.gz LIVUIHGQJHWOIQ-CQSZACIVSA-N 2 2 335.452 1.129 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+](C)Cc3nccc(N)n3)C2)nc(C(C)C)[nH+]1 ZINC000434225040 446628488 /nfs/dbraw/zinc/62/84/88/446628488.db2.gz IRQGVMFWXIIKCF-AWEZNQCLSA-N 2 2 341.463 1.991 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+](C)Cc3nccc(N)n3)C2)nc(C(C)C)[nH+]1 ZINC000434225040 446628494 /nfs/dbraw/zinc/62/84/94/446628494.db2.gz IRQGVMFWXIIKCF-AWEZNQCLSA-N 2 2 341.463 1.991 20 0 EDADLP Cc1cccc(NCCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)[nH+]1 ZINC000435345881 446691773 /nfs/dbraw/zinc/69/17/73/446691773.db2.gz LVJFPCWZXGMQCC-AWEZNQCLSA-N 2 2 328.420 2.295 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371220484 446697949 /nfs/dbraw/zinc/69/79/49/446697949.db2.gz QXSYXUKEWAVMNB-IKGGRYGDSA-N 2 2 345.491 1.245 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]2[C@@H](C1)C[N@H+](C)[C@@H]2c1ccccc1 ZINC000368203104 446706613 /nfs/dbraw/zinc/70/66/13/446706613.db2.gz KECZSFAXIGREJB-BPQIPLTHSA-N 2 2 339.443 1.864 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]2[C@@H](C1)C[N@@H+](C)[C@@H]2c1ccccc1 ZINC000368203104 446706618 /nfs/dbraw/zinc/70/66/18/446706618.db2.gz KECZSFAXIGREJB-BPQIPLTHSA-N 2 2 339.443 1.864 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371260693 446721674 /nfs/dbraw/zinc/72/16/74/446721674.db2.gz PXBQBMNXRQKBLC-INIZCTEOSA-N 2 2 348.491 1.519 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371260693 446721678 /nfs/dbraw/zinc/72/16/78/446721678.db2.gz PXBQBMNXRQKBLC-INIZCTEOSA-N 2 2 348.491 1.519 20 0 EDADLP O=C(C[C@H]1C[NH2+]CCO1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000423910349 446759692 /nfs/dbraw/zinc/75/96/92/446759692.db2.gz FVXCCRHHMRHEQE-AWEZNQCLSA-N 2 2 337.851 1.193 20 0 EDADLP O=C(C[C@H]1C[NH2+]CCO1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000423910349 446759697 /nfs/dbraw/zinc/75/96/97/446759697.db2.gz FVXCCRHHMRHEQE-AWEZNQCLSA-N 2 2 337.851 1.193 20 0 EDADLP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000423926300 446776516 /nfs/dbraw/zinc/77/65/16/446776516.db2.gz GVZRCIWATBVENR-ARFHVFGLSA-N 2 2 344.459 1.789 20 0 EDADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)[C@@H](C)[NH+]1CCOCC1 ZINC000438881942 446800579 /nfs/dbraw/zinc/80/05/79/446800579.db2.gz HESAJJPWOMPDFV-CPUCHLNUSA-N 2 2 344.459 1.263 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000423886512 446742950 /nfs/dbraw/zinc/74/29/50/446742950.db2.gz XPPBJXMPMUCERN-GOSISDBHSA-N 2 2 336.480 1.700 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000376833920 446743554 /nfs/dbraw/zinc/74/35/54/446743554.db2.gz UULJPFJNJVOZTB-QGZVFWFLSA-N 2 2 332.444 1.997 20 0 EDADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180308 450436858 /nfs/dbraw/zinc/43/68/58/450436858.db2.gz ZFANSNTWYHYYBL-GOEBONIOSA-N 2 2 326.400 1.745 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000371422745 446845263 /nfs/dbraw/zinc/84/52/63/446845263.db2.gz HQFSDCFOCZHCLO-GOSISDBHSA-N 2 2 349.475 1.354 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000371422745 446845268 /nfs/dbraw/zinc/84/52/68/446845268.db2.gz HQFSDCFOCZHCLO-GOSISDBHSA-N 2 2 349.475 1.354 20 0 EDADLP COC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCCC1 ZINC000368413289 446847650 /nfs/dbraw/zinc/84/76/50/446847650.db2.gz RUPVMDDBTQUVKO-UHFFFAOYSA-N 2 2 339.524 1.722 20 0 EDADLP COC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCCC1 ZINC000368413289 446847656 /nfs/dbraw/zinc/84/76/56/446847656.db2.gz RUPVMDDBTQUVKO-UHFFFAOYSA-N 2 2 339.524 1.722 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000423983442 446806193 /nfs/dbraw/zinc/80/61/93/446806193.db2.gz AIURAOMGRNFKKV-MAUKXSAKSA-N 2 2 339.443 1.518 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000423983442 446806196 /nfs/dbraw/zinc/80/61/96/446806196.db2.gz AIURAOMGRNFKKV-MAUKXSAKSA-N 2 2 339.443 1.518 20 0 EDADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180307 450437200 /nfs/dbraw/zinc/43/72/00/450437200.db2.gz ZFANSNTWYHYYBL-GDBMZVCRSA-N 2 2 326.400 1.745 20 0 EDADLP CS[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1[NH+](C)C ZINC000371447026 446862546 /nfs/dbraw/zinc/86/25/46/446862546.db2.gz ILBIDSPCSNXLPJ-LSDHHAIUSA-N 2 2 341.521 1.135 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371461078 446871845 /nfs/dbraw/zinc/87/18/45/446871845.db2.gz VEDCDHQBOQWQKU-MRXNPFEDSA-N 2 2 345.553 1.300 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371461078 446871853 /nfs/dbraw/zinc/87/18/53/446871853.db2.gz VEDCDHQBOQWQKU-MRXNPFEDSA-N 2 2 345.553 1.300 20 0 EDADLP C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000454542785 446906699 /nfs/dbraw/zinc/90/66/99/446906699.db2.gz LLTGCCTWXPGUGT-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000454542785 446906702 /nfs/dbraw/zinc/90/67/02/446906702.db2.gz LLTGCCTWXPGUGT-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP O=C1CCCN1[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420954471 446925751 /nfs/dbraw/zinc/92/57/51/446925751.db2.gz VWHBFUWWFLAJHN-LJQANCHMSA-N 2 2 343.471 1.716 20 0 EDADLP O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420954471 446925758 /nfs/dbraw/zinc/92/57/58/446925758.db2.gz VWHBFUWWFLAJHN-LJQANCHMSA-N 2 2 343.471 1.716 20 0 EDADLP CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000368544627 446933975 /nfs/dbraw/zinc/93/39/75/446933975.db2.gz QUPNZBONMATIPQ-UHFFFAOYSA-N 2 2 343.431 1.484 20 0 EDADLP CN1CCO[C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000420968173 446939830 /nfs/dbraw/zinc/93/98/30/446939830.db2.gz VOUJSBFALQIWRX-PMACEKPBSA-N 2 2 345.487 1.424 20 0 EDADLP CN1CCO[C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000420968173 446939838 /nfs/dbraw/zinc/93/98/38/446939838.db2.gz VOUJSBFALQIWRX-PMACEKPBSA-N 2 2 345.487 1.424 20 0 EDADLP CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442912994 446991775 /nfs/dbraw/zinc/99/17/75/446991775.db2.gz LYUYHECZUBBNCX-UHFFFAOYSA-N 2 2 348.472 1.646 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000372523645 447108072 /nfs/dbraw/zinc/10/80/72/447108072.db2.gz CFBKPEWHSJKUBF-TXPKVOOTSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000372523645 447108080 /nfs/dbraw/zinc/10/80/80/447108080.db2.gz CFBKPEWHSJKUBF-TXPKVOOTSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000372523645 447108087 /nfs/dbraw/zinc/10/80/87/447108087.db2.gz CFBKPEWHSJKUBF-TXPKVOOTSA-N 2 2 349.523 1.896 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000372525668 447109989 /nfs/dbraw/zinc/10/99/89/447109989.db2.gz HVQIWQJPPDVBSV-DOTOQJQBSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000372525668 447109992 /nfs/dbraw/zinc/10/99/92/447109992.db2.gz HVQIWQJPPDVBSV-DOTOQJQBSA-N 2 2 346.475 1.547 20 0 EDADLP COC(=O)CCCCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368797752 447114038 /nfs/dbraw/zinc/11/40/38/447114038.db2.gz OTGWDGBTLHPVCH-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CCCCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368797752 447114045 /nfs/dbraw/zinc/11/40/45/447114045.db2.gz OTGWDGBTLHPVCH-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP C[C@H]1CN(C(=O)NCc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000413221937 447078016 /nfs/dbraw/zinc/07/80/16/447078016.db2.gz BELHXHJSOXYTSO-HNNXBMFYSA-N 2 2 327.432 1.836 20 0 EDADLP C[C@H]1CN(C(=O)NCc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000413221937 447078024 /nfs/dbraw/zinc/07/80/24/447078024.db2.gz BELHXHJSOXYTSO-HNNXBMFYSA-N 2 2 327.432 1.836 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000444168754 447084948 /nfs/dbraw/zinc/08/49/48/447084948.db2.gz JAPVHZJUZAKPEI-UHFFFAOYSA-N 2 2 326.400 1.256 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000444175423 447089772 /nfs/dbraw/zinc/08/97/72/447089772.db2.gz KEEMGLYJTLGICZ-WSTZPKSXSA-N 2 2 343.471 1.484 20 0 EDADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[N@@H+]1CCCOCC1 ZINC000425278385 447092841 /nfs/dbraw/zinc/09/28/41/447092841.db2.gz GQLPBNRJNSOOFV-QGZVFWFLSA-N 2 2 342.443 1.770 20 0 EDADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[N@H+]1CCCOCC1 ZINC000425278385 447092844 /nfs/dbraw/zinc/09/28/44/447092844.db2.gz GQLPBNRJNSOOFV-QGZVFWFLSA-N 2 2 342.443 1.770 20 0 EDADLP COc1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)ccc1OCCO ZINC000425362461 447126924 /nfs/dbraw/zinc/12/69/24/447126924.db2.gz VAYZSBOMKAVJGV-UHFFFAOYSA-N 2 2 334.420 1.156 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H](C2CCOCC2)C2(CO)CCC2)n1C ZINC000425373627 447130218 /nfs/dbraw/zinc/13/02/18/447130218.db2.gz QEEJICZZRLCGHP-MRXNPFEDSA-N 2 2 336.480 1.534 20 0 EDADLP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903829 447133906 /nfs/dbraw/zinc/13/39/06/447133906.db2.gz PWHBVHVOFVGHEP-IRXDYDNUSA-N 2 2 325.497 1.819 20 0 EDADLP CCCCOC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903829 447133911 /nfs/dbraw/zinc/13/39/11/447133911.db2.gz PWHBVHVOFVGHEP-IRXDYDNUSA-N 2 2 325.497 1.819 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3cn(C(C)C)nn3)CC2)CC1 ZINC000377551472 447198537 /nfs/dbraw/zinc/19/85/37/447198537.db2.gz XYGJOJJEPXNJRN-UHFFFAOYSA-N 2 2 334.512 1.851 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)oc1C ZINC000377575328 447215693 /nfs/dbraw/zinc/21/56/93/447215693.db2.gz NLSUFHOWQXKFQN-KRWDZBQOSA-N 2 2 336.480 1.912 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)oc1C ZINC000377575328 447215697 /nfs/dbraw/zinc/21/56/97/447215697.db2.gz NLSUFHOWQXKFQN-KRWDZBQOSA-N 2 2 336.480 1.912 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CC[C@H](O)c1ccccc1 ZINC000377581158 447220846 /nfs/dbraw/zinc/22/08/46/447220846.db2.gz LQAJSUYZXUFKGF-HOJAQTOUSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CC[C@H](O)c1ccccc1 ZINC000377581158 447220856 /nfs/dbraw/zinc/22/08/56/447220856.db2.gz LQAJSUYZXUFKGF-HOJAQTOUSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000377581158 447220866 /nfs/dbraw/zinc/22/08/66/447220866.db2.gz LQAJSUYZXUFKGF-HOJAQTOUSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC[C@H](O)c1ccccc1 ZINC000377581158 447220876 /nfs/dbraw/zinc/22/08/76/447220876.db2.gz LQAJSUYZXUFKGF-HOJAQTOUSA-N 2 2 347.503 1.447 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@H](O)Cn3cccn3)[C@H](C)C2)s1 ZINC000368963549 447229009 /nfs/dbraw/zinc/22/90/09/447229009.db2.gz BRMZTKVLMURUAG-KMFMINBZSA-N 2 2 349.504 1.509 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@H](O)Cn3cccn3)[C@H](C)C2)s1 ZINC000368963549 447229016 /nfs/dbraw/zinc/22/90/16/447229016.db2.gz BRMZTKVLMURUAG-KMFMINBZSA-N 2 2 349.504 1.509 20 0 EDADLP Cc1ccccc1OCC[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000369050976 447290341 /nfs/dbraw/zinc/29/03/41/447290341.db2.gz OSUNTDVVBVHZNH-SFHVURJKSA-N 2 2 333.476 1.322 20 0 EDADLP Cc1ccccc1OCC[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000369050976 447290346 /nfs/dbraw/zinc/29/03/46/447290346.db2.gz OSUNTDVVBVHZNH-SFHVURJKSA-N 2 2 333.476 1.322 20 0 EDADLP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000377632833 447259499 /nfs/dbraw/zinc/25/94/99/447259499.db2.gz VUVMMJPCDVCTCC-ZBFHGGJFSA-N 2 2 330.407 1.613 20 0 EDADLP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000377632833 447259505 /nfs/dbraw/zinc/25/95/05/447259505.db2.gz VUVMMJPCDVCTCC-ZBFHGGJFSA-N 2 2 330.407 1.613 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCCOC)CC2)CC1 ZINC000421814869 447260091 /nfs/dbraw/zinc/26/00/91/447260091.db2.gz RRZSCCAGJSXZDK-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCCOC)CC2)CC1 ZINC000421814869 447260097 /nfs/dbraw/zinc/26/00/97/447260097.db2.gz RRZSCCAGJSXZDK-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP CO[C@](C)([C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000414240729 447280703 /nfs/dbraw/zinc/28/07/03/447280703.db2.gz NSHPFRHHLFSHOI-QFBILLFUSA-N 2 2 339.524 1.576 20 0 EDADLP CO[C@](C)([C@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CC1 ZINC000414240729 447280708 /nfs/dbraw/zinc/28/07/08/447280708.db2.gz NSHPFRHHLFSHOI-QFBILLFUSA-N 2 2 339.524 1.576 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c[nH+]1 ZINC000458707764 447457964 /nfs/dbraw/zinc/45/79/64/447457964.db2.gz AVTQEVMSNCBHIR-INIZCTEOSA-N 2 2 334.464 1.999 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c[nH+]1 ZINC000458707764 447457968 /nfs/dbraw/zinc/45/79/68/447457968.db2.gz AVTQEVMSNCBHIR-INIZCTEOSA-N 2 2 334.464 1.999 20 0 EDADLP COc1c(C)c[nH+]c(CN2C(=O)N[C@@]3(CCCC[C@H]3C[NH3+])C2=O)c1C ZINC000393055277 447529806 /nfs/dbraw/zinc/52/98/06/447529806.db2.gz NTJDOSATWASUSC-SCLBCKFNSA-N 2 2 346.431 1.647 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC([NH3+])(CC)CC ZINC000420082373 447591072 /nfs/dbraw/zinc/59/10/72/447591072.db2.gz QDKTTYGDAHOZLN-AWEZNQCLSA-N 2 2 349.479 1.590 20 0 EDADLP CCOC(=O)c1cnc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)s1 ZINC000459356370 447645786 /nfs/dbraw/zinc/64/57/86/447645786.db2.gz NNSXKOCIZZCVHX-UHFFFAOYSA-N 2 2 349.460 1.418 20 0 EDADLP C[C@@H]1C[N@H+](CCn2cc(Cl)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000459374511 447648757 /nfs/dbraw/zinc/64/87/57/447648757.db2.gz OKRYEMMMEOYLSX-ZBFHGGJFSA-N 2 2 325.888 1.494 20 0 EDADLP C[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000459374511 447648759 /nfs/dbraw/zinc/64/87/59/447648759.db2.gz OKRYEMMMEOYLSX-ZBFHGGJFSA-N 2 2 325.888 1.494 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000405324492 447609289 /nfs/dbraw/zinc/60/92/89/447609289.db2.gz BMUZGUIVJLNQAL-IUODEOHRSA-N 2 2 326.824 1.907 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000405324492 447609295 /nfs/dbraw/zinc/60/92/95/447609295.db2.gz BMUZGUIVJLNQAL-IUODEOHRSA-N 2 2 326.824 1.907 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407320400 447614522 /nfs/dbraw/zinc/61/45/22/447614522.db2.gz JENYSFAHDYTHOV-QRVBRYPASA-N 2 2 343.471 1.534 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407320400 447614527 /nfs/dbraw/zinc/61/45/27/447614527.db2.gz JENYSFAHDYTHOV-QRVBRYPASA-N 2 2 343.471 1.534 20 0 EDADLP CC[NH2+]CC1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000420215566 447674145 /nfs/dbraw/zinc/67/41/45/447674145.db2.gz SMBPYGASANGUNF-GOEBONIOSA-N 2 2 333.480 1.510 20 0 EDADLP CC[NH2+]CC1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000420215566 447674150 /nfs/dbraw/zinc/67/41/50/447674150.db2.gz SMBPYGASANGUNF-GOEBONIOSA-N 2 2 333.480 1.510 20 0 EDADLP O=C(NCC[NH+]1CCC1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429043674 447723078 /nfs/dbraw/zinc/72/30/78/447723078.db2.gz PTXQGVVOKCBAFB-QGZVFWFLSA-N 2 2 348.516 1.609 20 0 EDADLP O=C(NCC[NH+]1CCC1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429043674 447723088 /nfs/dbraw/zinc/72/30/88/447723088.db2.gz PTXQGVVOKCBAFB-QGZVFWFLSA-N 2 2 348.516 1.609 20 0 EDADLP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422712114 447724320 /nfs/dbraw/zinc/72/43/20/447724320.db2.gz GKCIGFOFUQGFMW-KBPBESRZSA-N 2 2 325.478 1.733 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2nc3c(s2)CCC3)CC1 ZINC000459630968 447725879 /nfs/dbraw/zinc/72/58/79/447725879.db2.gz HJTHIIHVKBNHNL-QWHCGFSZSA-N 2 2 336.505 1.835 20 0 EDADLP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422720490 447727831 /nfs/dbraw/zinc/72/78/31/447727831.db2.gz SMCWTZBTSIGPNI-CDHQVMDDSA-N 2 2 329.488 1.790 20 0 EDADLP C[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422720490 447727834 /nfs/dbraw/zinc/72/78/34/447727834.db2.gz SMCWTZBTSIGPNI-CDHQVMDDSA-N 2 2 329.488 1.790 20 0 EDADLP C[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422720490 447727838 /nfs/dbraw/zinc/72/78/38/447727838.db2.gz SMCWTZBTSIGPNI-CDHQVMDDSA-N 2 2 329.488 1.790 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000422737206 447733955 /nfs/dbraw/zinc/73/39/55/447733955.db2.gz ZDGDSQYVRIOPFW-RCCFBDPRSA-N 2 2 333.476 1.953 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000458180324 447738414 /nfs/dbraw/zinc/73/84/14/447738414.db2.gz PHTYVYRFQXQPKV-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000458180324 447738419 /nfs/dbraw/zinc/73/84/19/447738419.db2.gz PHTYVYRFQXQPKV-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000458180324 447738425 /nfs/dbraw/zinc/73/84/25/447738425.db2.gz PHTYVYRFQXQPKV-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000458180324 447738431 /nfs/dbraw/zinc/73/84/31/447738431.db2.gz PHTYVYRFQXQPKV-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000422755934 447740745 /nfs/dbraw/zinc/74/07/45/447740745.db2.gz IFXXNZNVIIRRCW-SJORKVTESA-N 2 2 325.497 1.378 20 0 EDADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422767236 447744842 /nfs/dbraw/zinc/74/48/42/447744842.db2.gz MKZCCCGXMJZSQV-VQTJNVASSA-N 3 2 345.487 1.375 20 0 EDADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422767236 447744847 /nfs/dbraw/zinc/74/48/47/447744847.db2.gz MKZCCCGXMJZSQV-VQTJNVASSA-N 2 2 345.487 1.375 20 0 EDADLP Fc1ccc(-n2ccc(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000422796050 447751968 /nfs/dbraw/zinc/75/19/68/447751968.db2.gz XLASINPNVPRXQX-OALUTQOASA-N 2 2 344.434 1.911 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000459763324 447757906 /nfs/dbraw/zinc/75/79/06/447757906.db2.gz CDPMXNLMZJCFEM-NCOADZHNSA-N 2 2 328.460 1.897 20 0 EDADLP c1ncn(Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000422822698 447759732 /nfs/dbraw/zinc/75/97/32/447759732.db2.gz BMHOEUNRSPQCIH-ROUUACIJSA-N 2 2 327.432 1.183 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000458309693 447766114 /nfs/dbraw/zinc/76/61/14/447766114.db2.gz KCZZKKIMRWXZMF-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000458309693 447766116 /nfs/dbraw/zinc/76/61/16/447766116.db2.gz KCZZKKIMRWXZMF-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000422889603 447770340 /nfs/dbraw/zinc/77/03/40/447770340.db2.gz GTAVUCVJQOJKOQ-KBAYOESNSA-N 2 2 331.460 1.707 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1OC ZINC000430558991 447778144 /nfs/dbraw/zinc/77/81/44/447778144.db2.gz WLJWQGFTSBSKAM-SFHVURJKSA-N 2 2 337.464 1.625 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000430557534 447778789 /nfs/dbraw/zinc/77/87/89/447778789.db2.gz NVBJVYZAHYYMTA-KGLIPLIRSA-N 2 2 326.462 1.528 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000430557534 447778794 /nfs/dbraw/zinc/77/87/94/447778794.db2.gz NVBJVYZAHYYMTA-KGLIPLIRSA-N 2 2 326.462 1.528 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000430558714 447779022 /nfs/dbraw/zinc/77/90/22/447779022.db2.gz RATPTUIDYOQBHS-KBPBESRZSA-N 2 2 341.477 1.623 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000430558714 447779026 /nfs/dbraw/zinc/77/90/26/447779026.db2.gz RATPTUIDYOQBHS-KBPBESRZSA-N 2 2 341.477 1.623 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422958624 447780546 /nfs/dbraw/zinc/78/05/46/447780546.db2.gz PQHATPOXKRKPHL-CRAIPNDOSA-N 2 2 331.460 1.666 20 0 EDADLP C[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)CC(C)(C)C[NH3+] ZINC000430565302 447780634 /nfs/dbraw/zinc/78/06/34/447780634.db2.gz PQFVGXYMOILHBJ-INIZCTEOSA-N 2 2 337.439 1.642 20 0 EDADLP C[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)CC(C)(C)C[NH3+] ZINC000430565302 447780639 /nfs/dbraw/zinc/78/06/39/447780639.db2.gz PQFVGXYMOILHBJ-INIZCTEOSA-N 2 2 337.439 1.642 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000430969616 447788247 /nfs/dbraw/zinc/78/82/47/447788247.db2.gz GBIKBKMCRGLWGO-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000430969616 447788251 /nfs/dbraw/zinc/78/82/51/447788251.db2.gz GBIKBKMCRGLWGO-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC[NH2+]CC1 ZINC000422986684 447788248 /nfs/dbraw/zinc/78/82/48/447788248.db2.gz DFAXEGPDRJMSDR-HRCADAONSA-N 3 2 325.497 1.626 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC[NH2+]CC1 ZINC000422986684 447788252 /nfs/dbraw/zinc/78/82/52/447788252.db2.gz DFAXEGPDRJMSDR-HRCADAONSA-N 3 2 325.497 1.626 20 0 EDADLP COc1ccc([C@H]([NH2+]CC2(CO)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422995370 447788623 /nfs/dbraw/zinc/78/86/23/447788623.db2.gz JYZUGEZRAPEOIH-MSOLQXFVSA-N 2 2 334.460 1.867 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000423112846 447808037 /nfs/dbraw/zinc/80/80/37/447808037.db2.gz YDVSRLUJRRBNAV-YESZJQIVSA-N 2 2 335.448 1.181 20 0 EDADLP C[C@H](CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000569676591 447863516 /nfs/dbraw/zinc/86/35/16/447863516.db2.gz LQJWBACDTUPHLW-AEFFLSMTSA-N 3 2 347.507 1.181 20 0 EDADLP C[C@H](CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000569676591 447863522 /nfs/dbraw/zinc/86/35/22/447863522.db2.gz LQJWBACDTUPHLW-AEFFLSMTSA-N 3 2 347.507 1.181 20 0 EDADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000569709180 447874645 /nfs/dbraw/zinc/87/46/45/447874645.db2.gz OMCGCHTVGMVSRE-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000569709180 447874650 /nfs/dbraw/zinc/87/46/50/447874650.db2.gz OMCGCHTVGMVSRE-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP CC1CC[NH+](CC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497156496 447903747 /nfs/dbraw/zinc/90/37/47/447903747.db2.gz XYQMJAHMCOHBIW-KRWDZBQOSA-N 2 2 329.485 1.584 20 0 EDADLP COc1cnc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc1 ZINC000551488688 447905737 /nfs/dbraw/zinc/90/57/37/447905737.db2.gz FWSAWTHWHJOUBW-UHFFFAOYSA-N 2 2 347.463 1.165 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000575983692 447943537 /nfs/dbraw/zinc/94/35/37/447943537.db2.gz QQDGKCPXLJHWHF-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000575983692 447943542 /nfs/dbraw/zinc/94/35/42/447943542.db2.gz QQDGKCPXLJHWHF-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000575983692 447943547 /nfs/dbraw/zinc/94/35/47/447943547.db2.gz QQDGKCPXLJHWHF-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000575983692 447943554 /nfs/dbraw/zinc/94/35/54/447943554.db2.gz QQDGKCPXLJHWHF-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP COc1ccccc1C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000569912028 447914734 /nfs/dbraw/zinc/91/47/34/447914734.db2.gz KYMNBBLMOGHZIP-SJORKVTESA-N 2 2 348.491 1.547 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569989420 447931448 /nfs/dbraw/zinc/93/14/48/447931448.db2.gz YTVAKLJFDVEEMD-ROUUACIJSA-N 3 2 344.503 1.388 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569989420 447931450 /nfs/dbraw/zinc/93/14/50/447931450.db2.gz YTVAKLJFDVEEMD-ROUUACIJSA-N 3 2 344.503 1.388 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569989420 447931455 /nfs/dbraw/zinc/93/14/55/447931455.db2.gz YTVAKLJFDVEEMD-ROUUACIJSA-N 3 2 344.503 1.388 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000569989420 447931461 /nfs/dbraw/zinc/93/14/61/447931461.db2.gz YTVAKLJFDVEEMD-ROUUACIJSA-N 3 2 344.503 1.388 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1Cl)C[NH+]1CCOCC1 ZINC000576150341 447983848 /nfs/dbraw/zinc/98/38/48/447983848.db2.gz NYPIUCANOHZPMN-HUUCEWRRSA-N 2 2 342.867 1.638 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000496870808 447986520 /nfs/dbraw/zinc/98/65/20/447986520.db2.gz JYOCUNHKUXUQQV-KRWDZBQOSA-N 2 2 341.496 1.680 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000496870808 447986528 /nfs/dbraw/zinc/98/65/28/447986528.db2.gz JYOCUNHKUXUQQV-KRWDZBQOSA-N 2 2 341.496 1.680 20 0 EDADLP CCCCNc1cc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000553482973 447994731 /nfs/dbraw/zinc/99/47/31/447994731.db2.gz MKCXVCYTANVVGT-LSDHHAIUSA-N 2 2 348.495 1.748 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000570398231 448003884 /nfs/dbraw/zinc/00/38/84/448003884.db2.gz UVTCMGMPRAQTFV-URLQWDBASA-N 2 2 346.475 1.710 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000497257298 448012455 /nfs/dbraw/zinc/01/24/55/448012455.db2.gz MWOQPFWFESZAPJ-HZPDHXFCSA-N 2 2 327.469 1.432 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000497257298 448012459 /nfs/dbraw/zinc/01/24/59/448012459.db2.gz MWOQPFWFESZAPJ-HZPDHXFCSA-N 2 2 327.469 1.432 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000497257298 448012465 /nfs/dbraw/zinc/01/24/65/448012465.db2.gz MWOQPFWFESZAPJ-HZPDHXFCSA-N 2 2 327.469 1.432 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000497257298 448012472 /nfs/dbraw/zinc/01/24/72/448012472.db2.gz MWOQPFWFESZAPJ-HZPDHXFCSA-N 2 2 327.469 1.432 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000552972277 447966537 /nfs/dbraw/zinc/96/65/37/447966537.db2.gz PEDLAYBNJVTFMO-INIZCTEOSA-N 2 2 348.466 1.406 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000552972277 447966539 /nfs/dbraw/zinc/96/65/39/447966539.db2.gz PEDLAYBNJVTFMO-INIZCTEOSA-N 2 2 348.466 1.406 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000525168464 447971793 /nfs/dbraw/zinc/97/17/93/447971793.db2.gz WEIBXMYDVWKMMZ-KRWDZBQOSA-N 2 2 336.480 1.917 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@H]3CCCC[C@@H]3C[NH3+])c[nH+]2)CC1 ZINC000497275412 448029361 /nfs/dbraw/zinc/02/93/61/448029361.db2.gz BUJOQEOEBACJBS-ZBFHGGJFSA-N 2 2 347.463 1.899 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccncc1 ZINC000554566088 448035510 /nfs/dbraw/zinc/03/55/10/448035510.db2.gz QWBHUZSJRPSJEY-OAHLLOKOSA-N 2 2 339.443 1.854 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccncc1 ZINC000554566088 448035513 /nfs/dbraw/zinc/03/55/13/448035513.db2.gz QWBHUZSJRPSJEY-OAHLLOKOSA-N 2 2 339.443 1.854 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000497296495 448049698 /nfs/dbraw/zinc/04/96/98/448049698.db2.gz IMEPIENZDQFTJM-UHFFFAOYSA-N 2 2 337.424 1.835 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000497296495 448049701 /nfs/dbraw/zinc/04/97/01/448049701.db2.gz IMEPIENZDQFTJM-UHFFFAOYSA-N 2 2 337.424 1.835 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2 ZINC000570722230 448055359 /nfs/dbraw/zinc/05/53/59/448055359.db2.gz FIPPMACBBQFCQW-STQMWFEESA-N 2 2 335.448 1.304 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2 ZINC000570722230 448055364 /nfs/dbraw/zinc/05/53/64/448055364.db2.gz FIPPMACBBQFCQW-STQMWFEESA-N 2 2 335.448 1.304 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000571017601 448095761 /nfs/dbraw/zinc/09/57/61/448095761.db2.gz KZUKHZTURRFFAB-UHFFFAOYSA-N 2 2 348.410 1.933 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1nn[nH]n1 ZINC000556812878 448159874 /nfs/dbraw/zinc/15/98/74/448159874.db2.gz ZKVZKLFAPYHOOO-CQSZACIVSA-N 2 2 343.435 1.029 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531660582 448124774 /nfs/dbraw/zinc/12/47/74/448124774.db2.gz UOOYBUBSDLEJSX-HZPDHXFCSA-N 2 2 335.452 1.134 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000526996725 448135503 /nfs/dbraw/zinc/13/55/03/448135503.db2.gz WQZFBXAQZWZWNZ-CQSZACIVSA-N 2 2 343.475 1.638 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1(CCO)CC[NH+](C)CC1)C2 ZINC000527002271 448136306 /nfs/dbraw/zinc/13/63/06/448136306.db2.gz NARLZCQQGRPJHE-AWEZNQCLSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1(CCO)CC[NH+](C)CC1)CC2 ZINC000527002271 448136309 /nfs/dbraw/zinc/13/63/09/448136309.db2.gz NARLZCQQGRPJHE-AWEZNQCLSA-N 2 2 348.491 1.601 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)CC1 ZINC000571331582 448137789 /nfs/dbraw/zinc/13/77/89/448137789.db2.gz RZPRFDLTQWYYCR-HNNXBMFYSA-N 3 2 345.491 1.120 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCc4cncn4C3)CC2)CC1 ZINC000571331582 448137795 /nfs/dbraw/zinc/13/77/95/448137795.db2.gz RZPRFDLTQWYYCR-HNNXBMFYSA-N 2 2 345.491 1.120 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)/C=C\C[NH+](C)C)c[nH+]2)C[C@H](C)O1 ZINC000491873478 448139916 /nfs/dbraw/zinc/13/99/16/448139916.db2.gz ULCGVWCIOZVALD-YPDHSMTDSA-N 2 2 332.448 1.429 20 0 EDADLP CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000576799241 448140331 /nfs/dbraw/zinc/14/03/31/448140331.db2.gz IZOBEIKGTWVIEG-AEFFLSMTSA-N 2 2 345.491 1.603 20 0 EDADLP CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000576799241 448140334 /nfs/dbraw/zinc/14/03/34/448140334.db2.gz IZOBEIKGTWVIEG-AEFFLSMTSA-N 2 2 345.491 1.603 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000556724971 448146826 /nfs/dbraw/zinc/14/68/26/448146826.db2.gz YWICRDGWWSROBF-HNNXBMFYSA-N 2 2 336.505 1.842 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCc2sccc2C1 ZINC000556724971 448146833 /nfs/dbraw/zinc/14/68/33/448146833.db2.gz YWICRDGWWSROBF-HNNXBMFYSA-N 2 2 336.505 1.842 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000556724971 448146836 /nfs/dbraw/zinc/14/68/36/448146836.db2.gz YWICRDGWWSROBF-HNNXBMFYSA-N 2 2 336.505 1.842 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000556724971 448146840 /nfs/dbraw/zinc/14/68/40/448146840.db2.gz YWICRDGWWSROBF-HNNXBMFYSA-N 2 2 336.505 1.842 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000571411332 448148776 /nfs/dbraw/zinc/14/87/76/448148776.db2.gz XJPVKBMYCBVZJE-RHSMWYFYSA-N 2 2 334.464 1.032 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000571411332 448148782 /nfs/dbraw/zinc/14/87/82/448148782.db2.gz XJPVKBMYCBVZJE-RHSMWYFYSA-N 2 2 334.464 1.032 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000571411334 448149093 /nfs/dbraw/zinc/14/90/93/448149093.db2.gz XJPVKBMYCBVZJE-WMLDXEAASA-N 2 2 334.464 1.032 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000571411334 448149097 /nfs/dbraw/zinc/14/90/97/448149097.db2.gz XJPVKBMYCBVZJE-WMLDXEAASA-N 2 2 334.464 1.032 20 0 EDADLP CCOC(=O)c1cnn(C2CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC2)c1 ZINC000576834452 448151205 /nfs/dbraw/zinc/15/12/05/448151205.db2.gz LEURSGYRMGZTLI-INIZCTEOSA-N 2 2 338.452 1.009 20 0 EDADLP CCOC(=O)c1cnn(C2CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC2)c1 ZINC000576834452 448151207 /nfs/dbraw/zinc/15/12/07/448151207.db2.gz LEURSGYRMGZTLI-INIZCTEOSA-N 2 2 338.452 1.009 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000514624514 448175423 /nfs/dbraw/zinc/17/54/23/448175423.db2.gz SJPXEZVFUUJEAS-CQSZACIVSA-N 2 2 328.420 1.790 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000514624514 448175430 /nfs/dbraw/zinc/17/54/30/448175430.db2.gz SJPXEZVFUUJEAS-CQSZACIVSA-N 2 2 328.420 1.790 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000514735866 448196797 /nfs/dbraw/zinc/19/67/97/448196797.db2.gz HLPCHSYRJNCIHF-RDJZCZTQSA-N 2 2 333.476 1.944 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000514735866 448196800 /nfs/dbraw/zinc/19/68/00/448196800.db2.gz HLPCHSYRJNCIHF-RDJZCZTQSA-N 2 2 333.476 1.944 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000577073894 448206408 /nfs/dbraw/zinc/20/64/08/448206408.db2.gz URZBEPSYYASWCI-ZACQAIPSSA-N 2 2 347.507 1.605 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000577073894 448206412 /nfs/dbraw/zinc/20/64/12/448206412.db2.gz URZBEPSYYASWCI-ZACQAIPSSA-N 2 2 347.507 1.605 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000577073894 448206417 /nfs/dbraw/zinc/20/64/17/448206417.db2.gz URZBEPSYYASWCI-ZACQAIPSSA-N 2 2 347.507 1.605 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000577073894 448206418 /nfs/dbraw/zinc/20/64/18/448206418.db2.gz URZBEPSYYASWCI-ZACQAIPSSA-N 2 2 347.507 1.605 20 0 EDADLP C[C@@H](CNc1nc(NCCO)c2ccccc2[nH+]1)C[NH+]1CCCC1 ZINC000527493019 448237333 /nfs/dbraw/zinc/23/73/33/448237333.db2.gz SYXSPJYOHZPDCK-AWEZNQCLSA-N 2 2 329.448 1.022 20 0 EDADLP Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572009657 448261900 /nfs/dbraw/zinc/26/19/00/448261900.db2.gz SPEZUESFGYBPRP-HNNXBMFYSA-N 2 2 347.463 1.240 20 0 EDADLP Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572009657 448261905 /nfs/dbraw/zinc/26/19/05/448261905.db2.gz SPEZUESFGYBPRP-HNNXBMFYSA-N 2 2 347.463 1.240 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000572177006 448307299 /nfs/dbraw/zinc/30/72/99/448307299.db2.gz MWNPIUBKVITTEV-OAHLLOKOSA-N 2 2 334.464 1.740 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000572177006 448307306 /nfs/dbraw/zinc/30/73/06/448307306.db2.gz MWNPIUBKVITTEV-OAHLLOKOSA-N 2 2 334.464 1.740 20 0 EDADLP O[C@H](CNCc1c[nH+]c2n1CCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000515416161 448310720 /nfs/dbraw/zinc/31/07/20/448310720.db2.gz MQHJPQRFYKSBCB-LJQANCHMSA-N 2 2 340.471 1.728 20 0 EDADLP O[C@H](CNCc1c[nH+]c2n1CCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000515416161 448310725 /nfs/dbraw/zinc/31/07/25/448310725.db2.gz MQHJPQRFYKSBCB-LJQANCHMSA-N 2 2 340.471 1.728 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000572230208 448319858 /nfs/dbraw/zinc/31/98/58/448319858.db2.gz VDUQHWHNKSEPBZ-HZPDHXFCSA-N 2 2 345.422 1.939 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000582615645 448292870 /nfs/dbraw/zinc/29/28/70/448292870.db2.gz CPWJYBZQENKBJL-UHFFFAOYSA-N 2 2 341.375 1.365 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccncc2Cl)C1=O ZINC000527691738 448339253 /nfs/dbraw/zinc/33/92/53/448339253.db2.gz OJFNWJGCYCLQMS-AWEZNQCLSA-N 2 2 333.823 1.749 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591542645 448385097 /nfs/dbraw/zinc/38/50/97/448385097.db2.gz FCGBXGMWGFXSQV-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591542645 448385100 /nfs/dbraw/zinc/38/51/00/448385100.db2.gz FCGBXGMWGFXSQV-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000591542645 448385105 /nfs/dbraw/zinc/38/51/05/448385105.db2.gz FCGBXGMWGFXSQV-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000591542645 448385108 /nfs/dbraw/zinc/38/51/08/448385108.db2.gz FCGBXGMWGFXSQV-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000566222203 448418846 /nfs/dbraw/zinc/41/88/46/448418846.db2.gz YUITXKBKTKPJJH-APIJFGDWSA-N 2 2 338.473 1.540 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000566222203 448418851 /nfs/dbraw/zinc/41/88/51/448418851.db2.gz YUITXKBKTKPJJH-APIJFGDWSA-N 2 2 338.473 1.540 20 0 EDADLP C(C[C@H]1CCCOC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000527924148 448390500 /nfs/dbraw/zinc/39/05/00/448390500.db2.gz FJBDHLGEWFRATO-QGZVFWFLSA-N 2 2 325.497 1.189 20 0 EDADLP C(C[C@H]1CCCOC1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000527924148 448390505 /nfs/dbraw/zinc/39/05/05/448390505.db2.gz FJBDHLGEWFRATO-QGZVFWFLSA-N 2 2 325.497 1.189 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H](C)[NH+]1CCOCC1 ZINC000591578656 448394723 /nfs/dbraw/zinc/39/47/23/448394723.db2.gz RVLISEHGSIWNOO-HZPDHXFCSA-N 2 2 346.475 1.411 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000591583933 448396544 /nfs/dbraw/zinc/39/65/44/448396544.db2.gz INSVXZSNDKNPNE-HLLBOEOZSA-N 2 2 349.479 1.475 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000591583933 448396549 /nfs/dbraw/zinc/39/65/49/448396549.db2.gz INSVXZSNDKNPNE-HLLBOEOZSA-N 2 2 349.479 1.475 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000566244804 448429486 /nfs/dbraw/zinc/42/94/86/448429486.db2.gz TVCODAQWHINDFS-IRXDYDNUSA-N 2 2 333.476 1.941 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000566244804 448429490 /nfs/dbraw/zinc/42/94/90/448429490.db2.gz TVCODAQWHINDFS-IRXDYDNUSA-N 2 2 333.476 1.941 20 0 EDADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H](C)C1 ZINC000516614888 448447643 /nfs/dbraw/zinc/44/76/43/448447643.db2.gz KMPGIEGGUUQERR-MJBXVCDLSA-N 2 2 327.436 1.411 20 0 EDADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H](C)C1 ZINC000516614888 448447648 /nfs/dbraw/zinc/44/76/48/448447648.db2.gz KMPGIEGGUUQERR-MJBXVCDLSA-N 2 2 327.436 1.411 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528290544 448477571 /nfs/dbraw/zinc/47/75/71/448477571.db2.gz YBMJCPVYPBYVRE-GOEBONIOSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528290544 448477577 /nfs/dbraw/zinc/47/75/77/448477577.db2.gz YBMJCPVYPBYVRE-GOEBONIOSA-N 2 2 331.464 1.936 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC[NH2+]C1CC1 ZINC000566470256 448485571 /nfs/dbraw/zinc/48/55/71/448485571.db2.gz LDRMKXKGYXMMPC-KRWDZBQOSA-N 2 2 345.487 1.878 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000591866808 448511137 /nfs/dbraw/zinc/51/11/37/448511137.db2.gz GCLYBXYHABZALO-KRWDZBQOSA-N 3 2 331.464 1.263 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000591866808 448511138 /nfs/dbraw/zinc/51/11/38/448511138.db2.gz GCLYBXYHABZALO-KRWDZBQOSA-N 3 2 331.464 1.263 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3CC[NH+](CCN(C)C)CC3)ccn12 ZINC000578377756 448532031 /nfs/dbraw/zinc/53/20/31/448532031.db2.gz XYFLBXUUONHOJY-UHFFFAOYSA-N 2 2 343.475 1.646 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3CCN(CC[NH+](C)C)CC3)ccn12 ZINC000578377756 448532035 /nfs/dbraw/zinc/53/20/35/448532035.db2.gz XYFLBXUUONHOJY-UHFFFAOYSA-N 2 2 343.475 1.646 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000578545610 448575876 /nfs/dbraw/zinc/57/58/76/448575876.db2.gz XKIVHSPSLPPEFL-GDBMZVCRSA-N 2 2 337.439 1.865 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000578545610 448575883 /nfs/dbraw/zinc/57/58/83/448575883.db2.gz XKIVHSPSLPPEFL-GDBMZVCRSA-N 2 2 337.439 1.865 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000517152633 448544200 /nfs/dbraw/zinc/54/42/00/448544200.db2.gz RHTGQXXEAXGSBE-OAHLLOKOSA-N 2 2 340.431 1.291 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000517152633 448544204 /nfs/dbraw/zinc/54/42/04/448544204.db2.gz RHTGQXXEAXGSBE-OAHLLOKOSA-N 2 2 340.431 1.291 20 0 EDADLP O=C1[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528490389 448551645 /nfs/dbraw/zinc/55/16/45/448551645.db2.gz TYTTYYGPWSOWSI-IEBWSBKVSA-N 2 2 349.519 1.964 20 0 EDADLP O=C1[C@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528490389 448551652 /nfs/dbraw/zinc/55/16/52/448551652.db2.gz TYTTYYGPWSOWSI-IEBWSBKVSA-N 2 2 349.519 1.964 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000573134951 448553835 /nfs/dbraw/zinc/55/38/35/448553835.db2.gz YMMOTALASDYDSY-HWMZRRJGSA-N 2 2 334.464 1.689 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000573134951 448553839 /nfs/dbraw/zinc/55/38/39/448553839.db2.gz YMMOTALASDYDSY-HWMZRRJGSA-N 2 2 334.464 1.689 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCOc2ccc(F)cc2Cl)[C@H](C[NH3+])C1 ZINC000573371025 448611425 /nfs/dbraw/zinc/61/14/25/448611425.db2.gz SOGFTLZFZRNXAK-GFCCVEGCSA-N 2 2 329.803 1.349 20 0 EDADLP C[N@H+]1CCN(C(=O)CCOc2ccc(F)cc2Cl)[C@H](C[NH3+])C1 ZINC000573371025 448611431 /nfs/dbraw/zinc/61/14/31/448611431.db2.gz SOGFTLZFZRNXAK-GFCCVEGCSA-N 2 2 329.803 1.349 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@@H+]1C ZINC000584751549 448616204 /nfs/dbraw/zinc/61/62/04/448616204.db2.gz ZAMZBTDNOJOJSI-GDBMZVCRSA-N 2 2 332.448 1.126 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@H+]1C ZINC000584751549 448616208 /nfs/dbraw/zinc/61/62/08/448616208.db2.gz ZAMZBTDNOJOJSI-GDBMZVCRSA-N 2 2 332.448 1.126 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC1=CC[NH2+]CC1)c1c(F)cccc1F ZINC000578730096 448619617 /nfs/dbraw/zinc/61/96/17/448619617.db2.gz NCXZBBSCWPLZSA-OAHLLOKOSA-N 2 2 338.402 1.786 20 0 EDADLP Cc1cccc(-c2nc(CC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cs2)c1 ZINC000578624454 448596631 /nfs/dbraw/zinc/59/66/31/448596631.db2.gz DGDDKNCKBINZGH-MRXNPFEDSA-N 2 2 344.484 1.762 20 0 EDADLP Cc1cccc(-c2nc(CC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cs2)c1 ZINC000578624454 448596635 /nfs/dbraw/zinc/59/66/35/448596635.db2.gz DGDDKNCKBINZGH-MRXNPFEDSA-N 2 2 344.484 1.762 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000573547632 448654669 /nfs/dbraw/zinc/65/46/69/448654669.db2.gz AKXVHSAULMSYLT-BPQIPLTHSA-N 2 2 346.475 1.439 20 0 EDADLP Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567271017 448655477 /nfs/dbraw/zinc/65/54/77/448655477.db2.gz YQWIWLDJJSJKJZ-GFCCVEGCSA-N 2 2 341.381 1.667 20 0 EDADLP Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567271017 448655481 /nfs/dbraw/zinc/65/54/81/448655481.db2.gz YQWIWLDJJSJKJZ-GFCCVEGCSA-N 2 2 341.381 1.667 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000518214694 448655973 /nfs/dbraw/zinc/65/59/73/448655973.db2.gz YRVNPLGCBVIJNQ-GRYCIOLGSA-N 2 2 332.370 1.865 20 0 EDADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000573625399 448675791 /nfs/dbraw/zinc/67/57/91/448675791.db2.gz HZPYWHQLUKAWNG-UHFFFAOYSA-N 2 2 343.431 1.849 20 0 EDADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000573625399 448675793 /nfs/dbraw/zinc/67/57/93/448675793.db2.gz HZPYWHQLUKAWNG-UHFFFAOYSA-N 2 2 343.431 1.849 20 0 EDADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)C1 ZINC000567209425 448636235 /nfs/dbraw/zinc/63/62/35/448636235.db2.gz AMKCKPNWUAYOSZ-CFAJVAMVSA-N 2 2 331.464 1.639 20 0 EDADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)C1 ZINC000567209425 448636241 /nfs/dbraw/zinc/63/62/41/448636241.db2.gz AMKCKPNWUAYOSZ-CFAJVAMVSA-N 2 2 331.464 1.639 20 0 EDADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)C1 ZINC000567209425 448636246 /nfs/dbraw/zinc/63/62/46/448636246.db2.gz AMKCKPNWUAYOSZ-CFAJVAMVSA-N 2 2 331.464 1.639 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000541750882 448690661 /nfs/dbraw/zinc/69/06/61/448690661.db2.gz FFZRXDINFMHZNT-UHFFFAOYSA-N 2 2 330.432 1.961 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000573699707 448694610 /nfs/dbraw/zinc/69/46/10/448694610.db2.gz MXGFSLNKCUBXGJ-UHFFFAOYSA-N 2 2 341.415 1.406 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000573774265 448707897 /nfs/dbraw/zinc/70/78/97/448707897.db2.gz YFQDEORAJJIECO-INIZCTEOSA-N 2 2 327.432 1.386 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000573774265 448707900 /nfs/dbraw/zinc/70/79/00/448707900.db2.gz YFQDEORAJJIECO-INIZCTEOSA-N 2 2 327.432 1.386 20 0 EDADLP CC(C)n1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000519130889 448744607 /nfs/dbraw/zinc/74/46/07/448744607.db2.gz QVCJLVJPALFIDL-UHFFFAOYSA-N 2 2 336.484 1.954 20 0 EDADLP CC(C)n1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000519130889 448744612 /nfs/dbraw/zinc/74/46/12/448744612.db2.gz QVCJLVJPALFIDL-UHFFFAOYSA-N 2 2 336.484 1.954 20 0 EDADLP CCC[N@@H+](C)CC(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000519332845 448759661 /nfs/dbraw/zinc/75/96/61/448759661.db2.gz JJRGEYHAIJWDOE-UHFFFAOYSA-N 2 2 335.496 1.840 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)NCC[N@H+](C)C3CCCC3)CC2)cn1 ZINC000592353439 448802620 /nfs/dbraw/zinc/80/26/20/448802620.db2.gz YXLGIZIZAQFSBA-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)NCC[N@@H+](C)C3CCCC3)CC2)cn1 ZINC000592353439 448802625 /nfs/dbraw/zinc/80/26/25/448802625.db2.gz YXLGIZIZAQFSBA-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000519422329 448769375 /nfs/dbraw/zinc/76/93/75/448769375.db2.gz RUVHYJKTTYYITL-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000519422329 448769377 /nfs/dbraw/zinc/76/93/77/448769377.db2.gz RUVHYJKTTYYITL-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000519422329 448769379 /nfs/dbraw/zinc/76/93/79/448769379.db2.gz RUVHYJKTTYYITL-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000519422329 448769382 /nfs/dbraw/zinc/76/93/82/448769382.db2.gz RUVHYJKTTYYITL-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP CC(C)[NH+]1CCC(N(C)c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000519527827 448776804 /nfs/dbraw/zinc/77/68/04/448776804.db2.gz OWGMVDHZTMGJRJ-JKSUJKDBSA-N 2 2 347.507 1.993 20 0 EDADLP CC(C)[NH+]1CCC(N(C)c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000519527827 448776808 /nfs/dbraw/zinc/77/68/08/448776808.db2.gz OWGMVDHZTMGJRJ-JKSUJKDBSA-N 2 2 347.507 1.993 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568165380 448825765 /nfs/dbraw/zinc/82/57/65/448825765.db2.gz MFGSWXUOQJILOX-KGLIPLIRSA-N 2 2 347.463 1.756 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568165380 448825771 /nfs/dbraw/zinc/82/57/71/448825771.db2.gz MFGSWXUOQJILOX-KGLIPLIRSA-N 2 2 347.463 1.756 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000579609107 448835106 /nfs/dbraw/zinc/83/51/06/448835106.db2.gz NQDJPDNBBJFNDC-STQMWFEESA-N 2 2 326.403 1.836 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000579609107 448835110 /nfs/dbraw/zinc/83/51/10/448835110.db2.gz NQDJPDNBBJFNDC-STQMWFEESA-N 2 2 326.403 1.836 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000579609107 448835115 /nfs/dbraw/zinc/83/51/15/448835115.db2.gz NQDJPDNBBJFNDC-STQMWFEESA-N 2 2 326.403 1.836 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000579609107 448835118 /nfs/dbraw/zinc/83/51/18/448835118.db2.gz NQDJPDNBBJFNDC-STQMWFEESA-N 2 2 326.403 1.836 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000579661908 448842285 /nfs/dbraw/zinc/84/22/85/448842285.db2.gz AKWPZFKTBOGNNL-CQSZACIVSA-N 2 2 341.415 1.198 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529367786 448844044 /nfs/dbraw/zinc/84/40/44/448844044.db2.gz SALFUDKFVNGUFI-KBPBESRZSA-N 2 2 334.468 1.699 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COCC(F)F)CC2)CC1 ZINC000529496695 448882168 /nfs/dbraw/zinc/88/21/68/448882168.db2.gz CJMFUFXKMHBVMU-UHFFFAOYSA-N 2 2 333.423 1.287 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COCC(F)F)CC2)CC1 ZINC000529496695 448882171 /nfs/dbraw/zinc/88/21/71/448882171.db2.gz CJMFUFXKMHBVMU-UHFFFAOYSA-N 2 2 333.423 1.287 20 0 EDADLP C[C@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[NH+]1CCSCC1 ZINC000568828552 448923232 /nfs/dbraw/zinc/92/32/32/448923232.db2.gz GURVAKHGGDGUQR-PBHICJAKSA-N 2 2 349.500 1.629 20 0 EDADLP C[C@H](C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[NH+]1CCSCC1 ZINC000568828552 448923236 /nfs/dbraw/zinc/92/32/36/448923236.db2.gz GURVAKHGGDGUQR-PBHICJAKSA-N 2 2 349.500 1.629 20 0 EDADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1ccccc1F ZINC000579827470 448887078 /nfs/dbraw/zinc/88/70/78/448887078.db2.gz OHPUMFPTJHLOAY-OAHLLOKOSA-N 2 2 333.407 1.931 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)C[C@H](C)O1 ZINC000568620836 448895984 /nfs/dbraw/zinc/89/59/84/448895984.db2.gz QBFUKAXLDCAJNA-QFRSUPTLSA-N 2 2 340.414 1.880 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)C[C@H](C)O1 ZINC000568620836 448895989 /nfs/dbraw/zinc/89/59/89/448895989.db2.gz QBFUKAXLDCAJNA-QFRSUPTLSA-N 2 2 340.414 1.880 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000588974824 448956699 /nfs/dbraw/zinc/95/66/99/448956699.db2.gz LEBOVOMNROHLIB-UHFFFAOYSA-N 2 2 335.452 1.129 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000588974824 448956704 /nfs/dbraw/zinc/95/67/04/448956704.db2.gz LEBOVOMNROHLIB-UHFFFAOYSA-N 2 2 335.452 1.129 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161886 448979577 /nfs/dbraw/zinc/97/95/77/448979577.db2.gz GCYFJFZDWYXOQY-STQMWFEESA-N 2 2 338.477 1.394 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161886 448979581 /nfs/dbraw/zinc/97/95/81/448979581.db2.gz GCYFJFZDWYXOQY-STQMWFEESA-N 2 2 338.477 1.394 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161886 448979584 /nfs/dbraw/zinc/97/95/84/448979584.db2.gz GCYFJFZDWYXOQY-STQMWFEESA-N 2 2 338.477 1.394 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161886 448979588 /nfs/dbraw/zinc/97/95/88/448979588.db2.gz GCYFJFZDWYXOQY-STQMWFEESA-N 2 2 338.477 1.394 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000548082322 448980484 /nfs/dbraw/zinc/98/04/84/448980484.db2.gz QXEXXHMDCAQDRS-HNNXBMFYSA-N 2 2 332.448 1.400 20 0 EDADLP Cc1ncncc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000569500115 449035165 /nfs/dbraw/zinc/03/51/65/449035165.db2.gz ABHXFXSVYKKQRQ-UKRRQHHQSA-N 2 2 328.420 1.360 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000582166755 449025684 /nfs/dbraw/zinc/02/56/84/449025684.db2.gz XXVCXSPNHAKKFS-KRWDZBQOSA-N 2 2 345.491 1.052 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000582166755 449025687 /nfs/dbraw/zinc/02/56/87/449025687.db2.gz XXVCXSPNHAKKFS-KRWDZBQOSA-N 2 2 345.491 1.052 20 0 EDADLP CC1(C)CC[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000575069922 449027915 /nfs/dbraw/zinc/02/79/15/449027915.db2.gz MZQJGLXBRXXKKU-GOSISDBHSA-N 2 2 345.487 1.913 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[N@H+](C2CCC2)C1 ZINC000582038663 448994049 /nfs/dbraw/zinc/99/40/49/448994049.db2.gz CMGBHIZCHDBCHI-CABCVRRESA-N 2 2 331.464 1.714 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000522285708 449073424 /nfs/dbraw/zinc/07/34/24/449073424.db2.gz DLTKGSKRMCXLOZ-INIZCTEOSA-N 2 2 329.448 1.146 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000522285708 449073427 /nfs/dbraw/zinc/07/34/27/449073427.db2.gz DLTKGSKRMCXLOZ-INIZCTEOSA-N 2 2 329.448 1.146 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cc3c(cn2)CCC3)CC1 ZINC000569548889 449039723 /nfs/dbraw/zinc/03/97/23/449039723.db2.gz RCDYIYCCFQUCGI-UHFFFAOYSA-N 2 2 331.464 1.718 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)nc[nH+]1 ZINC000569570309 449046048 /nfs/dbraw/zinc/04/60/48/449046048.db2.gz SZRBXRPWJCSVIF-RDJZCZTQSA-N 2 2 341.459 1.632 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)nc[nH+]1 ZINC000569570309 449046052 /nfs/dbraw/zinc/04/60/52/449046052.db2.gz SZRBXRPWJCSVIF-RDJZCZTQSA-N 2 2 341.459 1.632 20 0 EDADLP CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582290691 449057325 /nfs/dbraw/zinc/05/73/25/449057325.db2.gz VTFIQVVBMJDNRL-DOTOQJQBSA-N 2 2 348.491 1.957 20 0 EDADLP CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582290691 449057331 /nfs/dbraw/zinc/05/73/31/449057331.db2.gz VTFIQVVBMJDNRL-DOTOQJQBSA-N 2 2 348.491 1.957 20 0 EDADLP CSC1(CNC(=O)N[C@H](C)c2[nH+]ccn2C)CC[NH+](C)CC1 ZINC000595635559 449092883 /nfs/dbraw/zinc/09/28/83/449092883.db2.gz LYZLMYFCVIODJB-GFCCVEGCSA-N 2 2 325.482 1.608 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000590073846 449104131 /nfs/dbraw/zinc/10/41/31/449104131.db2.gz PHJZSLUNQUOPSN-MRXNPFEDSA-N 2 2 341.477 1.259 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000590073846 449104134 /nfs/dbraw/zinc/10/41/34/449104134.db2.gz PHJZSLUNQUOPSN-MRXNPFEDSA-N 2 2 341.477 1.259 20 0 EDADLP CN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209473 449193771 /nfs/dbraw/zinc/19/37/71/449193771.db2.gz UPMOCZIFDJMVED-MRXNPFEDSA-N 2 2 331.464 1.392 20 0 EDADLP CN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209473 449193774 /nfs/dbraw/zinc/19/37/74/449193774.db2.gz UPMOCZIFDJMVED-MRXNPFEDSA-N 2 2 331.464 1.392 20 0 EDADLP CCOC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208975 449194701 /nfs/dbraw/zinc/19/47/01/449194701.db2.gz LMUNPQUMPBCMDS-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP CCOC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208975 449194708 /nfs/dbraw/zinc/19/47/08/449194708.db2.gz LMUNPQUMPBCMDS-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000600211511 449245758 /nfs/dbraw/zinc/24/57/58/449245758.db2.gz WFSPJQJDSCFJDP-QGZVFWFLSA-N 2 2 345.443 1.557 20 0 EDADLP CN(C(=O)c1cnn2ccccc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604868568 449322126 /nfs/dbraw/zinc/32/21/26/449322126.db2.gz UONRFWBKZKGORG-MRXNPFEDSA-N 2 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1cnn2ccccc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604868568 449322130 /nfs/dbraw/zinc/32/21/30/449322130.db2.gz UONRFWBKZKGORG-MRXNPFEDSA-N 2 2 341.459 1.575 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000590870507 449329037 /nfs/dbraw/zinc/32/90/37/449329037.db2.gz MWWHULTYUITEFP-KRWDZBQOSA-N 2 2 349.479 1.731 20 0 EDADLP COC(=O)c1ccc(-c2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611774637 449415795 /nfs/dbraw/zinc/41/57/95/449415795.db2.gz IQSNYXLFNBZOOO-GASCZTMLSA-N 2 2 327.384 1.779 20 0 EDADLP COC(=O)c1ccc(-c2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611774637 449415802 /nfs/dbraw/zinc/41/58/02/449415802.db2.gz IQSNYXLFNBZOOO-GASCZTMLSA-N 2 2 327.384 1.779 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614089565 449452302 /nfs/dbraw/zinc/45/23/02/449452302.db2.gz JOCZLGOLQPUFIK-GOEBONIOSA-N 2 2 336.411 1.529 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614131233 449473374 /nfs/dbraw/zinc/47/33/74/449473374.db2.gz DBZSBRKUHXYJMC-ZIAGYGMSSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614131233 449473382 /nfs/dbraw/zinc/47/33/82/449473382.db2.gz DBZSBRKUHXYJMC-ZIAGYGMSSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614131233 449473389 /nfs/dbraw/zinc/47/33/89/449473389.db2.gz DBZSBRKUHXYJMC-ZIAGYGMSSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614131233 449473392 /nfs/dbraw/zinc/47/33/92/449473392.db2.gz DBZSBRKUHXYJMC-ZIAGYGMSSA-N 2 2 332.448 1.226 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000600707359 449508111 /nfs/dbraw/zinc/50/81/11/449508111.db2.gz HCWQEFTZEHMZCP-UHOFOFEASA-N 2 2 333.432 1.920 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614447764 449615257 /nfs/dbraw/zinc/61/52/57/449615257.db2.gz LPGQWRAEBGHTDQ-CVEARBPZSA-N 2 2 332.448 1.159 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]c1C ZINC000602480616 449624222 /nfs/dbraw/zinc/62/42/22/449624222.db2.gz HLPIKRZPXSHKAE-KSSFIOAISA-N 2 2 348.491 1.568 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]c1C ZINC000602480616 449624225 /nfs/dbraw/zinc/62/42/25/449624225.db2.gz HLPIKRZPXSHKAE-KSSFIOAISA-N 2 2 348.491 1.568 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617484663 449632340 /nfs/dbraw/zinc/63/23/40/449632340.db2.gz GFZWIEKRHHCFAD-OAHLLOKOSA-N 2 2 332.448 1.266 20 0 EDADLP COC(=O)c1csc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000602511127 449640828 /nfs/dbraw/zinc/64/08/28/449640828.db2.gz SLPWKBZQBIVMDH-CQSZACIVSA-N 2 2 326.462 1.981 20 0 EDADLP COC(=O)c1csc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000602511127 449640835 /nfs/dbraw/zinc/64/08/35/449640835.db2.gz SLPWKBZQBIVMDH-CQSZACIVSA-N 2 2 326.462 1.981 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](CCO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000607733840 449644055 /nfs/dbraw/zinc/64/40/55/449644055.db2.gz QDVCRPZCQIAYAD-MRXNPFEDSA-N 2 2 335.448 1.018 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](CCO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000607733840 449644061 /nfs/dbraw/zinc/64/40/61/449644061.db2.gz QDVCRPZCQIAYAD-MRXNPFEDSA-N 2 2 335.448 1.018 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)on1 ZINC000602634174 449719712 /nfs/dbraw/zinc/71/97/12/449719712.db2.gz PKHQIRQOMJRVNR-ZDUSSCGKSA-N 2 2 325.409 1.442 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)on1 ZINC000602634174 449719719 /nfs/dbraw/zinc/71/97/19/449719719.db2.gz PKHQIRQOMJRVNR-ZDUSSCGKSA-N 2 2 325.409 1.442 20 0 EDADLP CCOC(=O)CCc1cc(NCC2CC[NH+](CC)CC2)nc(C)[nH+]1 ZINC000601106606 449693790 /nfs/dbraw/zinc/69/37/90/449693790.db2.gz RPWTXTBLIXVMRA-UHFFFAOYSA-N 2 2 334.464 2.425 20 0 EDADLP CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601253771 449777200 /nfs/dbraw/zinc/77/72/00/449777200.db2.gz DHHXHKBZPVFBSQ-MRXNPFEDSA-N 2 2 331.464 1.640 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617703748 449751210 /nfs/dbraw/zinc/75/12/10/449751210.db2.gz NRUSEPFNAALLMZ-MRXNPFEDSA-N 2 2 328.416 1.144 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617703748 449751220 /nfs/dbraw/zinc/75/12/20/449751220.db2.gz NRUSEPFNAALLMZ-MRXNPFEDSA-N 2 2 328.416 1.144 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617703748 449751230 /nfs/dbraw/zinc/75/12/30/449751230.db2.gz NRUSEPFNAALLMZ-MRXNPFEDSA-N 2 2 328.416 1.144 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617703748 449751237 /nfs/dbraw/zinc/75/12/37/449751237.db2.gz NRUSEPFNAALLMZ-MRXNPFEDSA-N 2 2 328.416 1.144 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC(=O)NCc1ccccc1 ZINC000601335702 449844944 /nfs/dbraw/zinc/84/49/44/449844944.db2.gz XQMKMVUBLOIJKQ-HOTGVXAUSA-N 2 2 330.432 1.086 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC(=O)NCc1ccccc1 ZINC000601335702 449844948 /nfs/dbraw/zinc/84/49/48/449844948.db2.gz XQMKMVUBLOIJKQ-HOTGVXAUSA-N 2 2 330.432 1.086 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H](C(=O)OC(C)(C)C)C3CC3)CC2)C1 ZINC000602790181 449810746 /nfs/dbraw/zinc/81/07/46/449810746.db2.gz GUCSQHCQWYDFKF-DLBZAZTESA-N 2 2 337.508 1.819 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H](C(=O)OC(C)(C)C)C3CC3)CC2)C1 ZINC000602790181 449810750 /nfs/dbraw/zinc/81/07/50/449810750.db2.gz GUCSQHCQWYDFKF-DLBZAZTESA-N 2 2 337.508 1.819 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+]Cc3c[nH+]c4n3CCC4)C2)nc1 ZINC000594942392 449814351 /nfs/dbraw/zinc/81/43/51/449814351.db2.gz HPYPWMAJVYAEDZ-UHFFFAOYSA-N 2 2 341.415 1.379 20 0 EDADLP COc1ccc2[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2c1 ZINC000617765230 449827597 /nfs/dbraw/zinc/82/75/97/449827597.db2.gz YFKGJRKPNAJKJX-UHFFFAOYSA-N 2 2 332.448 1.790 20 0 EDADLP COc1ccc2[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2c1 ZINC000617765230 449827603 /nfs/dbraw/zinc/82/76/03/449827603.db2.gz YFKGJRKPNAJKJX-UHFFFAOYSA-N 2 2 332.448 1.790 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000617766763 449829366 /nfs/dbraw/zinc/82/93/66/449829366.db2.gz ULANQZXZSHNSIR-UHFFFAOYSA-N 2 2 348.422 1.693 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000617766763 449829372 /nfs/dbraw/zinc/82/93/72/449829372.db2.gz ULANQZXZSHNSIR-UHFFFAOYSA-N 2 2 348.422 1.693 20 0 EDADLP Cc1ccc(-n2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn2)cc1 ZINC000617767465 449830766 /nfs/dbraw/zinc/83/07/66/449830766.db2.gz WYJFOEFJUOVMRO-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP Cc1ccc(-n2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn2)cc1 ZINC000617767465 449830771 /nfs/dbraw/zinc/83/07/71/449830771.db2.gz WYJFOEFJUOVMRO-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601334110 449842043 /nfs/dbraw/zinc/84/20/43/449842043.db2.gz IMJPVOJGGUPZOJ-GDBMZVCRSA-N 2 2 331.416 1.486 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601334110 449842049 /nfs/dbraw/zinc/84/20/49/449842049.db2.gz IMJPVOJGGUPZOJ-GDBMZVCRSA-N 2 2 331.416 1.486 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334733 449843652 /nfs/dbraw/zinc/84/36/52/449843652.db2.gz MYDHFERORLNPLX-WCVJEAGWSA-N 2 2 336.480 1.465 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334733 449843656 /nfs/dbraw/zinc/84/36/56/449843656.db2.gz MYDHFERORLNPLX-WCVJEAGWSA-N 2 2 336.480 1.465 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000597187490 449863406 /nfs/dbraw/zinc/86/34/06/449863406.db2.gz QHVLOCUZDNIKMF-XOYOTBSWSA-N 2 2 332.444 1.960 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000597187490 449863409 /nfs/dbraw/zinc/86/34/09/449863409.db2.gz QHVLOCUZDNIKMF-XOYOTBSWSA-N 2 2 332.444 1.960 20 0 EDADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000599295525 449870436 /nfs/dbraw/zinc/87/04/36/449870436.db2.gz OKYYZEPDWQCKQL-ZACQAIPSSA-N 2 2 326.481 1.887 20 0 EDADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000599295525 449870440 /nfs/dbraw/zinc/87/04/40/449870440.db2.gz OKYYZEPDWQCKQL-ZACQAIPSSA-N 2 2 326.481 1.887 20 0 EDADLP CCOC(=O)C[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000599295525 449870446 /nfs/dbraw/zinc/87/04/46/449870446.db2.gz OKYYZEPDWQCKQL-ZACQAIPSSA-N 2 2 326.481 1.887 20 0 EDADLP CCOC(=O)C[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000599295525 449870452 /nfs/dbraw/zinc/87/04/52/449870452.db2.gz OKYYZEPDWQCKQL-ZACQAIPSSA-N 2 2 326.481 1.887 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614929849 449881410 /nfs/dbraw/zinc/88/14/10/449881410.db2.gz WDUAVKVMPLZLNO-INIZCTEOSA-N 2 2 341.459 1.890 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614929849 449881419 /nfs/dbraw/zinc/88/14/19/449881419.db2.gz WDUAVKVMPLZLNO-INIZCTEOSA-N 2 2 341.459 1.890 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614929849 449881426 /nfs/dbraw/zinc/88/14/26/449881426.db2.gz WDUAVKVMPLZLNO-INIZCTEOSA-N 2 2 341.459 1.890 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614929849 449881436 /nfs/dbraw/zinc/88/14/36/449881436.db2.gz WDUAVKVMPLZLNO-INIZCTEOSA-N 2 2 341.459 1.890 20 0 EDADLP COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000602964692 449965891 /nfs/dbraw/zinc/96/58/91/449965891.db2.gz SDZKTAIFAQYQPP-MAUKXSAKSA-N 2 2 342.480 1.122 20 0 EDADLP COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000602964692 449965898 /nfs/dbraw/zinc/96/58/98/449965898.db2.gz SDZKTAIFAQYQPP-MAUKXSAKSA-N 2 2 342.480 1.122 20 0 EDADLP COC[C@@]1(C(=O)OC(C)(C)C)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000602964692 449965902 /nfs/dbraw/zinc/96/59/02/449965902.db2.gz SDZKTAIFAQYQPP-MAUKXSAKSA-N 2 2 342.480 1.122 20 0 EDADLP COC[C@@]1(C(=O)OC(C)(C)C)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000602964692 449965908 /nfs/dbraw/zinc/96/59/08/449965908.db2.gz SDZKTAIFAQYQPP-MAUKXSAKSA-N 2 2 342.480 1.122 20 0 EDADLP CCOC(=O)CC(C)(C)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989353 449985940 /nfs/dbraw/zinc/98/59/40/449985940.db2.gz MPVIMNUDFLZIPL-UHFFFAOYSA-N 2 2 327.469 1.062 20 0 EDADLP CCOC(=O)CC(C)(C)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989353 449985946 /nfs/dbraw/zinc/98/59/46/449985946.db2.gz MPVIMNUDFLZIPL-UHFFFAOYSA-N 2 2 327.469 1.062 20 0 EDADLP COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000609258490 449986942 /nfs/dbraw/zinc/98/69/42/449986942.db2.gz ZNRHKRBLXGAPOA-OAHLLOKOSA-N 2 2 348.447 1.512 20 0 EDADLP COC(=O)C1(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000609258490 449986948 /nfs/dbraw/zinc/98/69/48/449986948.db2.gz ZNRHKRBLXGAPOA-OAHLLOKOSA-N 2 2 348.447 1.512 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC000603062552 450044687 /nfs/dbraw/zinc/04/46/87/450044687.db2.gz JXMMECXBTAEPQT-INIZCTEOSA-N 2 2 327.469 1.012 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615547618 450137192 /nfs/dbraw/zinc/13/71/92/450137192.db2.gz QAAVQRMODGSTQQ-INIZCTEOSA-N 2 2 342.443 1.668 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C[C@H]1[NH+]1CCCC1 ZINC000599764419 450203347 /nfs/dbraw/zinc/20/33/47/450203347.db2.gz ZBQYWFMBDOJFCL-ARFHVFGLSA-N 2 2 348.516 1.792 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC(=O)NCc1ccco1)C2 ZINC000595508136 450195959 /nfs/dbraw/zinc/19/59/59/450195959.db2.gz UHNTXIFUXZFCSY-KRWDZBQOSA-N 2 2 334.420 1.023 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC(=O)NCc1ccco1)C2 ZINC000595508136 450195965 /nfs/dbraw/zinc/19/59/65/450195965.db2.gz UHNTXIFUXZFCSY-KRWDZBQOSA-N 2 2 334.420 1.023 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC(=O)NCc1ccco1)C2 ZINC000595508136 450195966 /nfs/dbraw/zinc/19/59/66/450195966.db2.gz UHNTXIFUXZFCSY-KRWDZBQOSA-N 2 2 334.420 1.023 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC(=O)NCc1ccco1)C2 ZINC000595508136 450195971 /nfs/dbraw/zinc/19/59/71/450195971.db2.gz UHNTXIFUXZFCSY-KRWDZBQOSA-N 2 2 334.420 1.023 20 0 EDADLP C[N@H+](CCOC1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000625343946 450305352 /nfs/dbraw/zinc/30/53/52/450305352.db2.gz ODZKABINZLXGHN-HXUWFJFHSA-N 2 2 348.487 1.751 20 0 EDADLP C[N@@H+](CCOC1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000625343946 450305357 /nfs/dbraw/zinc/30/53/57/450305357.db2.gz ODZKABINZLXGHN-HXUWFJFHSA-N 2 2 348.487 1.751 20 0 EDADLP C[NH+](CCOC1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000625343946 450305361 /nfs/dbraw/zinc/30/53/61/450305361.db2.gz ODZKABINZLXGHN-HXUWFJFHSA-N 2 2 348.487 1.751 20 0 EDADLP C[NH+](CCOC1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000625343946 450305366 /nfs/dbraw/zinc/30/53/66/450305366.db2.gz ODZKABINZLXGHN-HXUWFJFHSA-N 2 2 348.487 1.751 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3([NH+](C)C)CC3)c2)CC1 ZINC000613766360 450305325 /nfs/dbraw/zinc/30/53/25/450305325.db2.gz JGWDWNBKLBPARG-UHFFFAOYSA-N 2 2 344.459 1.383 20 0 EDADLP CC(C)[NH2+]C1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000603494225 450313680 /nfs/dbraw/zinc/31/36/80/450313680.db2.gz GFZTXNZTSVZYER-UHFFFAOYSA-N 2 2 329.448 2.001 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NCCCN1CCC[NH+](C)CC1)c1ccccc1 ZINC000603898418 450372210 /nfs/dbraw/zinc/37/22/10/450372210.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NCCCN1CCC[NH+](C)CC1)c1ccccc1 ZINC000603898418 450372213 /nfs/dbraw/zinc/37/22/13/450372213.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000603898418 450372216 /nfs/dbraw/zinc/37/22/16/450372216.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000603898418 450372218 /nfs/dbraw/zinc/37/22/18/450372218.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1CCCN(C)CC1)c1ccccc1 ZINC000603898418 450372221 /nfs/dbraw/zinc/37/22/21/450372221.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+]1CCCN(C)CC1)c1ccccc1 ZINC000603898418 450372223 /nfs/dbraw/zinc/37/22/23/450372223.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)c1ccccc1 ZINC000603898418 450372225 /nfs/dbraw/zinc/37/22/25/450372225.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)c1ccccc1 ZINC000603898418 450372227 /nfs/dbraw/zinc/37/22/27/450372227.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619969099 450387251 /nfs/dbraw/zinc/38/72/51/450387251.db2.gz VERKEXOOCQEMNY-HZPDHXFCSA-N 2 2 332.448 1.112 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000625853326 450521968 /nfs/dbraw/zinc/52/19/68/450521968.db2.gz AMVCPLRHEFSWER-OKZBNKHCSA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCO[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000625853326 450521970 /nfs/dbraw/zinc/52/19/70/450521970.db2.gz AMVCPLRHEFSWER-OKZBNKHCSA-N 2 2 331.460 1.659 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000625859361 450522967 /nfs/dbraw/zinc/52/29/67/450522967.db2.gz NAQGEQAHEQCMOR-UONOGXRCSA-N 2 2 329.404 1.834 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc3c(c1)OCC[NH2+]C3)CC2 ZINC000625942210 450538823 /nfs/dbraw/zinc/53/88/23/450538823.db2.gz TZFGEQGAQOHXSS-UHFFFAOYSA-N 2 2 327.388 1.721 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nnc(-c2ccccc2)o1 ZINC000631444085 450595182 /nfs/dbraw/zinc/59/51/82/450595182.db2.gz YAMLGVXCBSSFIV-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nnc(-c2ccccc2)o1 ZINC000631444085 450595190 /nfs/dbraw/zinc/59/51/90/450595190.db2.gz YAMLGVXCBSSFIV-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCc3[nH+]ccn3C)C2)cc1 ZINC000633033844 450628986 /nfs/dbraw/zinc/62/89/86/450628986.db2.gz QJIFWGDVCWVXMS-MRXNPFEDSA-N 2 2 327.432 1.802 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCc3[nH+]ccn3C)C2)cc1 ZINC000633033844 450628991 /nfs/dbraw/zinc/62/89/91/450628991.db2.gz QJIFWGDVCWVXMS-MRXNPFEDSA-N 2 2 327.432 1.802 20 0 EDADLP C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)C[C@H]21 ZINC000629353360 450630110 /nfs/dbraw/zinc/63/01/10/450630110.db2.gz BLILZOYDARIVTH-QLPKVWCKSA-N 2 2 346.456 1.112 20 0 EDADLP C[NH+](C)CC1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000635124668 450670102 /nfs/dbraw/zinc/67/01/02/450670102.db2.gz AWMAFLNSXORQKE-UHFFFAOYSA-N 2 2 331.460 1.477 20 0 EDADLP CCc1c[nH]c(CC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)[nH+]1 ZINC000635138171 450683681 /nfs/dbraw/zinc/68/36/81/450683681.db2.gz ULNHERBNUSPRCK-MRXNPFEDSA-N 2 2 330.432 1.942 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC[N@@H+]1CCOC ZINC000626320132 450685585 /nfs/dbraw/zinc/68/55/85/450685585.db2.gz LTRPPRAPUMKENP-DLBZAZTESA-N 2 2 348.491 1.713 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC[N@H+]1CCOC ZINC000626320132 450685587 /nfs/dbraw/zinc/68/55/87/450685587.db2.gz LTRPPRAPUMKENP-DLBZAZTESA-N 2 2 348.491 1.713 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000624085157 450700155 /nfs/dbraw/zinc/70/01/55/450700155.db2.gz BGZOQHSCDPKFLZ-MOPGFXCFSA-N 2 2 344.503 1.580 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCCN[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000624085157 450700160 /nfs/dbraw/zinc/70/01/60/450700160.db2.gz BGZOQHSCDPKFLZ-MOPGFXCFSA-N 2 2 344.503 1.580 20 0 EDADLP NC(=O)[C@@H]1CCC[NH+]1CCCN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000624085157 450700167 /nfs/dbraw/zinc/70/01/67/450700167.db2.gz BGZOQHSCDPKFLZ-MOPGFXCFSA-N 2 2 344.503 1.580 20 0 EDADLP NC(=O)[C@@H]1CCC[NH+]1CCCN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000624085157 450700173 /nfs/dbraw/zinc/70/01/73/450700173.db2.gz BGZOQHSCDPKFLZ-MOPGFXCFSA-N 2 2 344.503 1.580 20 0 EDADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000624085820 450700771 /nfs/dbraw/zinc/70/07/71/450700771.db2.gz FAKYIODJPSQGEK-UXLLHSPISA-N 2 2 333.480 1.376 20 0 EDADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000624085820 450700780 /nfs/dbraw/zinc/70/07/80/450700780.db2.gz FAKYIODJPSQGEK-UXLLHSPISA-N 2 2 333.480 1.376 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1CCCc1ccccc1 ZINC000629562208 450737793 /nfs/dbraw/zinc/73/77/93/450737793.db2.gz BODWIVYTRAICML-OALUTQOASA-N 2 2 345.487 1.266 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000627457643 450752019 /nfs/dbraw/zinc/75/20/19/450752019.db2.gz DOSUFIMRZBJFHI-ZNMIVQPWSA-N 2 2 347.463 1.213 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000635241172 450774870 /nfs/dbraw/zinc/77/48/70/450774870.db2.gz UHDRGNOHNXGJOL-UHFFFAOYSA-N 2 2 343.431 1.555 20 0 EDADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)N1CCN(c2ccccc2F)CC1 ZINC000631868098 450836679 /nfs/dbraw/zinc/83/66/79/450836679.db2.gz WVOFEUJMKVDUJR-BEFAXECRSA-N 2 2 346.450 1.206 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000624335721 450798754 /nfs/dbraw/zinc/79/87/54/450798754.db2.gz YVKCEFKSZNOCTM-BBRMVZONSA-N 2 2 341.477 1.165 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000624335721 450798757 /nfs/dbraw/zinc/79/87/57/450798757.db2.gz YVKCEFKSZNOCTM-BBRMVZONSA-N 2 2 341.477 1.165 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631885642 450845493 /nfs/dbraw/zinc/84/54/93/450845493.db2.gz AHZNQOOAKZSPSJ-ROUUACIJSA-N 2 2 331.460 1.523 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631885642 450845498 /nfs/dbraw/zinc/84/54/98/450845498.db2.gz AHZNQOOAKZSPSJ-ROUUACIJSA-N 2 2 331.460 1.523 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCc1ccc2c(c1)OCO2 ZINC000631886992 450849170 /nfs/dbraw/zinc/84/91/70/450849170.db2.gz NQJBXZWMLZEDHP-LSDHHAIUSA-N 2 2 331.416 1.105 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCc1ccc2c(c1)OCO2 ZINC000631886992 450849175 /nfs/dbraw/zinc/84/91/75/450849175.db2.gz NQJBXZWMLZEDHP-LSDHHAIUSA-N 2 2 331.416 1.105 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2nc[nH+]c3c2OCCN3)cc1 ZINC000624527227 450881751 /nfs/dbraw/zinc/88/17/51/450881751.db2.gz OGOMSVGDCRDVPD-CQSZACIVSA-N 2 2 341.415 1.976 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNc2nc[nH+]c3c2OCCN3)cc1 ZINC000624527227 450881757 /nfs/dbraw/zinc/88/17/57/450881757.db2.gz OGOMSVGDCRDVPD-CQSZACIVSA-N 2 2 341.415 1.976 20 0 EDADLP O=C(NCC[N@H+]1CC[C@H](O)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000629914128 450882850 /nfs/dbraw/zinc/88/28/50/450882850.db2.gz UYJHZQIAFVLBFE-HNNXBMFYSA-N 2 2 327.384 1.670 20 0 EDADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000629914128 450882854 /nfs/dbraw/zinc/88/28/54/450882854.db2.gz UYJHZQIAFVLBFE-HNNXBMFYSA-N 2 2 327.384 1.670 20 0 EDADLP Cc1cccc(COCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000621866518 450906895 /nfs/dbraw/zinc/90/68/95/450906895.db2.gz ZVGXAWLUKFGEBA-SFHVURJKSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(COCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000621866518 450906901 /nfs/dbraw/zinc/90/69/01/450906901.db2.gz ZVGXAWLUKFGEBA-SFHVURJKSA-N 2 2 345.487 1.796 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000631988449 450946262 /nfs/dbraw/zinc/94/62/62/450946262.db2.gz DVDPYHVRQMENEZ-UHFFFAOYSA-N 2 2 348.472 1.660 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000626920405 451004197 /nfs/dbraw/zinc/00/41/97/451004197.db2.gz ZQVDSBJQGOTWPG-BFHYXJOUSA-N 2 2 338.477 1.171 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)n1cc[nH+]c1 ZINC000635531830 451026762 /nfs/dbraw/zinc/02/67/62/451026762.db2.gz IGCXKYJNGNJBRO-BRWVUGGUSA-N 2 2 334.464 1.528 20 0 EDADLP [NH3+]CC1(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCOCC1 ZINC000626948880 451027542 /nfs/dbraw/zinc/02/75/42/451027542.db2.gz CZXCSVFYUUQFDZ-UHFFFAOYSA-N 2 2 347.394 1.319 20 0 EDADLP CC(C)C[C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000635556886 451053646 /nfs/dbraw/zinc/05/36/46/451053646.db2.gz UCQFLVDELCYQPE-MSOLQXFVSA-N 2 2 349.523 1.859 20 0 EDADLP CCc1c[nH]c(CC(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)[nH+]1 ZINC000635611303 451104676 /nfs/dbraw/zinc/10/46/76/451104676.db2.gz JGZHBYYNHLZOLD-CQSZACIVSA-N 2 2 334.464 1.664 20 0 EDADLP CO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000628061868 451112962 /nfs/dbraw/zinc/11/29/62/451112962.db2.gz RIMCPXKJVOMSRP-MRXNPFEDSA-N 2 2 325.428 1.513 20 0 EDADLP CO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000628061868 451112967 /nfs/dbraw/zinc/11/29/67/451112967.db2.gz RIMCPXKJVOMSRP-MRXNPFEDSA-N 2 2 325.428 1.513 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)cc1 ZINC000635676759 451160841 /nfs/dbraw/zinc/16/08/41/451160841.db2.gz ODNVPQMTKNDWIF-NIKGAXFTSA-N 2 2 343.471 1.868 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)cc1 ZINC000635676759 451160843 /nfs/dbraw/zinc/16/08/43/451160843.db2.gz ODNVPQMTKNDWIF-NIKGAXFTSA-N 2 2 343.471 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000635676759 451160845 /nfs/dbraw/zinc/16/08/45/451160845.db2.gz ODNVPQMTKNDWIF-NIKGAXFTSA-N 2 2 343.471 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000635676759 451160847 /nfs/dbraw/zinc/16/08/47/451160847.db2.gz ODNVPQMTKNDWIF-NIKGAXFTSA-N 2 2 343.471 1.868 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628187608 451174548 /nfs/dbraw/zinc/17/45/48/451174548.db2.gz VERMALVPZLSNIL-SFHVURJKSA-N 2 2 326.444 1.906 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628187608 451174551 /nfs/dbraw/zinc/17/45/51/451174551.db2.gz VERMALVPZLSNIL-SFHVURJKSA-N 2 2 326.444 1.906 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000635693934 451177025 /nfs/dbraw/zinc/17/70/25/451177025.db2.gz FIUVZAPQDOJYJC-HOTGVXAUSA-N 2 2 334.464 1.766 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627198109 451181565 /nfs/dbraw/zinc/18/15/65/451181565.db2.gz IOFRHAKEPSXOJE-VYDXJSESSA-N 2 2 331.464 1.610 20 0 EDADLP CC(=O)N[C@H](CC(C)C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193363 451227588 /nfs/dbraw/zinc/22/75/88/451227588.db2.gz BWGQWINZRNBYKI-MRXNPFEDSA-N 2 2 347.463 1.323 20 0 EDADLP C[C@@H](Oc1ccccn1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634192974 451227799 /nfs/dbraw/zinc/22/77/99/451227799.db2.gz AEGUWMUCBHQVEG-CQSZACIVSA-N 2 2 341.415 1.634 20 0 EDADLP Cc1cc(C)n([C@@H](C)C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000634193842 451229102 /nfs/dbraw/zinc/22/91/02/451229102.db2.gz DHTUXTMAZWTTER-HNNXBMFYSA-N 2 2 342.447 1.846 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCNC(=O)C3CC3)c2)CC1 ZINC000634195112 451232980 /nfs/dbraw/zinc/23/29/80/451232980.db2.gz SBVYFGFSZIOOQF-UHFFFAOYSA-N 2 2 345.447 1.078 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC000632390485 451244861 /nfs/dbraw/zinc/24/48/61/451244861.db2.gz BTWVWWNWGYXZLX-CQSZACIVSA-N 2 2 340.493 1.619 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000638090970 451256382 /nfs/dbraw/zinc/25/63/82/451256382.db2.gz MRRPCINDTUUCTI-DOTOQJQBSA-N 2 2 349.475 1.146 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000638090970 451256388 /nfs/dbraw/zinc/25/63/88/451256388.db2.gz MRRPCINDTUUCTI-DOTOQJQBSA-N 2 2 349.475 1.146 20 0 EDADLP Cc1ccc2[nH+]c(Cn3cc([C@H]([NH3+])C4CCOCC4)nn3)cn2c1 ZINC000630589737 451266008 /nfs/dbraw/zinc/26/60/08/451266008.db2.gz KWWYXSJDSIIRON-QGZVFWFLSA-N 2 2 326.404 1.709 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000638103762 451270724 /nfs/dbraw/zinc/27/07/24/451270724.db2.gz BZWOULXHZWOKLT-QFBILLFUSA-N 2 2 346.475 1.845 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCn1cc(COc2ccccc2F)nn1 ZINC000630612106 451275385 /nfs/dbraw/zinc/27/53/85/451275385.db2.gz QHOYDIHZERGANV-UHFFFAOYSA-N 2 2 335.427 1.880 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(COc2ccccc2F)nn1 ZINC000630612106 451275390 /nfs/dbraw/zinc/27/53/90/451275390.db2.gz QHOYDIHZERGANV-UHFFFAOYSA-N 2 2 335.427 1.880 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)cc2[nH+]1 ZINC000635829137 451278568 /nfs/dbraw/zinc/27/85/68/451278568.db2.gz DNPKYFJQUOKEDG-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)cc2[nH+]1 ZINC000635829137 451278570 /nfs/dbraw/zinc/27/85/70/451278570.db2.gz DNPKYFJQUOKEDG-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000638115198 451283557 /nfs/dbraw/zinc/28/35/57/451283557.db2.gz BJHVCXGISNTLEH-DGCLKSJQSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@H+]1C ZINC000638115198 451283559 /nfs/dbraw/zinc/28/35/59/451283559.db2.gz BJHVCXGISNTLEH-DGCLKSJQSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[NH+]1C ZINC000638115198 451283563 /nfs/dbraw/zinc/28/35/63/451283563.db2.gz BJHVCXGISNTLEH-DGCLKSJQSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[NH+]1C ZINC000638115198 451283565 /nfs/dbraw/zinc/28/35/65/451283565.db2.gz BJHVCXGISNTLEH-DGCLKSJQSA-N 2 2 345.896 1.902 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CNC(=O)CC(C)(C)C)c2)CC1 ZINC000634195259 451232048 /nfs/dbraw/zinc/23/20/48/451232048.db2.gz SGUQOJHNRJCMSR-UHFFFAOYSA-N 2 2 347.463 1.324 20 0 EDADLP Cc1cn2ccc(C(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)cc2[nH+]1 ZINC000635858453 451305550 /nfs/dbraw/zinc/30/55/50/451305550.db2.gz OTRXAPSYQNVJPI-OAHLLOKOSA-N 2 2 330.432 1.873 20 0 EDADLP Cc1cn2ccc(C(=O)NCCC[N@H+]3CCCO[C@H](C)C3)cc2[nH+]1 ZINC000635858453 451305553 /nfs/dbraw/zinc/30/55/53/451305553.db2.gz OTRXAPSYQNVJPI-OAHLLOKOSA-N 2 2 330.432 1.873 20 0 EDADLP C[C@H]1C[N@H+](Cc2c3c(nn2C)CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638136912 451311366 /nfs/dbraw/zinc/31/13/66/451311366.db2.gz CEWCQPUPOBADGL-LPHOPBHVSA-N 2 2 345.535 1.757 20 0 EDADLP C[C@H]1C[N@@H+](Cc2c3c(nn2C)CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638136912 451311370 /nfs/dbraw/zinc/31/13/70/451311370.db2.gz CEWCQPUPOBADGL-LPHOPBHVSA-N 2 2 345.535 1.757 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@H+](C)CCc1ccccc1 ZINC000635867790 451316376 /nfs/dbraw/zinc/31/63/76/451316376.db2.gz AFZDMOUWGVDNCJ-KRWDZBQOSA-N 2 2 333.476 1.340 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635867790 451316382 /nfs/dbraw/zinc/31/63/82/451316382.db2.gz AFZDMOUWGVDNCJ-KRWDZBQOSA-N 2 2 333.476 1.340 20 0 EDADLP CC1(C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH+]1CCOCC1 ZINC000640517023 451367782 /nfs/dbraw/zinc/36/77/82/451367782.db2.gz XMGXQUDTIVGKLB-RBSFLKMASA-N 2 2 332.448 1.061 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000638276029 451395613 /nfs/dbraw/zinc/39/56/13/451395613.db2.gz VSYBYCHEYYUDNS-INIZCTEOSA-N 2 2 331.489 1.925 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636674185 451405048 /nfs/dbraw/zinc/40/50/48/451405048.db2.gz JWYRSLQIKFJBRR-HNNXBMFYSA-N 2 2 343.431 1.248 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ncnn3C)cc2)C[C@@H](C)O1 ZINC000638335792 451439889 /nfs/dbraw/zinc/43/98/89/451439889.db2.gz TYCKFBXIFWQFCE-HUUCEWRRSA-N 2 2 329.448 1.714 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000640572247 451418158 /nfs/dbraw/zinc/41/81/58/451418158.db2.gz FTNSOPFBPUNNMS-UHFFFAOYSA-N 2 2 335.452 1.064 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000640572247 451418163 /nfs/dbraw/zinc/41/81/63/451418163.db2.gz FTNSOPFBPUNNMS-UHFFFAOYSA-N 2 2 335.452 1.064 20 0 EDADLP C[C@@H](CNC(=O)Nc1cc[nH+]c(N(C)C)c1)C[NH+]1CCN(C)CC1 ZINC000640602791 451449898 /nfs/dbraw/zinc/44/98/98/451449898.db2.gz DNCJFCUZJCECAU-AWEZNQCLSA-N 2 2 334.468 1.153 20 0 EDADLP C[C@@H](CNC(=O)Nc1cc[nH+]c(N(C)C)c1)CN1CC[NH+](C)CC1 ZINC000640602791 451449907 /nfs/dbraw/zinc/44/99/07/451449907.db2.gz DNCJFCUZJCECAU-AWEZNQCLSA-N 2 2 334.468 1.153 20 0 EDADLP CC[C@@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000638353678 451454231 /nfs/dbraw/zinc/45/42/31/451454231.db2.gz CKCRPQZHQXSAIL-AWEZNQCLSA-N 2 2 331.526 1.701 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)CC1(O)CCOCC1 ZINC000634704260 451481447 /nfs/dbraw/zinc/48/14/47/451481447.db2.gz IUBGTXVKPKKQAY-OALUTQOASA-N 2 2 348.487 1.533 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)CC1(O)CCOCC1 ZINC000634704260 451481449 /nfs/dbraw/zinc/48/14/49/451481449.db2.gz IUBGTXVKPKKQAY-OALUTQOASA-N 2 2 348.487 1.533 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630932450 451491534 /nfs/dbraw/zinc/49/15/34/451491534.db2.gz KRFOSPNYBFSCBZ-INIZCTEOSA-N 2 2 328.416 1.917 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630932450 451491539 /nfs/dbraw/zinc/49/15/39/451491539.db2.gz KRFOSPNYBFSCBZ-INIZCTEOSA-N 2 2 328.416 1.917 20 0 EDADLP CO[C@@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000638336435 451441205 /nfs/dbraw/zinc/44/12/05/451441205.db2.gz ADGZQLFKHURXDF-QUCCMNQESA-N 2 2 347.503 1.840 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4ncccn4n3)CC2)CC1 ZINC000630862347 451445530 /nfs/dbraw/zinc/44/55/30/451445530.db2.gz HJDTXBBXOBLGTO-UHFFFAOYSA-N 2 2 342.447 1.018 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncc4n3CCCC4)CC2)CC1 ZINC000630862293 451445550 /nfs/dbraw/zinc/44/55/50/451445550.db2.gz FWMSJUQCUBFTDQ-UHFFFAOYSA-N 2 2 345.491 1.508 20 0 EDADLP OCCCN1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634720266 451500456 /nfs/dbraw/zinc/50/04/56/451500456.db2.gz HPQJDAYCJZWOSG-UXHICEINSA-N 2 2 347.503 1.060 20 0 EDADLP OCCCN1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634720266 451500457 /nfs/dbraw/zinc/50/04/57/451500457.db2.gz HPQJDAYCJZWOSG-UXHICEINSA-N 2 2 347.503 1.060 20 0 EDADLP CC1(C)CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@@H+]1CCO ZINC000632675577 451511296 /nfs/dbraw/zinc/51/12/96/451511296.db2.gz PCNUXIAXSAVATA-UHFFFAOYSA-N 2 2 328.416 1.605 20 0 EDADLP CC1(C)CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@H+]1CCO ZINC000632675577 451511300 /nfs/dbraw/zinc/51/13/00/451511300.db2.gz PCNUXIAXSAVATA-UHFFFAOYSA-N 2 2 328.416 1.605 20 0 EDADLP Nc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(N)n1 ZINC000638449675 451521364 /nfs/dbraw/zinc/52/13/64/451521364.db2.gz UQVXOSIVZHPWSL-OAHLLOKOSA-N 2 2 326.448 1.304 20 0 EDADLP Nc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(N)n1 ZINC000638449675 451521369 /nfs/dbraw/zinc/52/13/69/451521369.db2.gz UQVXOSIVZHPWSL-OAHLLOKOSA-N 2 2 326.448 1.304 20 0 EDADLP c1c(C[NH2+]CCc2cn3ccccc3[nH+]2)nnn1C[C@H]1CCOC1 ZINC000631039266 451545946 /nfs/dbraw/zinc/54/59/46/451545946.db2.gz GNNSNSCUKOKXBU-CQSZACIVSA-N 2 2 326.404 1.295 20 0 EDADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631055751 451557786 /nfs/dbraw/zinc/55/77/86/451557786.db2.gz FOVUFJLDAZRQDR-QGZVFWFLSA-N 3 2 335.492 1.827 20 0 EDADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC000631055751 451557789 /nfs/dbraw/zinc/55/77/89/451557789.db2.gz FOVUFJLDAZRQDR-QGZVFWFLSA-N 2 2 335.492 1.827 20 0 EDADLP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638527628 451559716 /nfs/dbraw/zinc/55/97/16/451559716.db2.gz WJDKKBMMSQSHBY-SFHVURJKSA-N 2 2 347.503 1.511 20 0 EDADLP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636172536 451561985 /nfs/dbraw/zinc/56/19/85/451561985.db2.gz HTSWHKFPXDJIAA-IAGOWNOFSA-N 2 2 339.443 1.937 20 0 EDADLP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636172536 451561993 /nfs/dbraw/zinc/56/19/93/451561993.db2.gz HTSWHKFPXDJIAA-IAGOWNOFSA-N 2 2 339.443 1.937 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[C@H]1C(F)(F)F ZINC000638559659 451576618 /nfs/dbraw/zinc/57/66/18/451576618.db2.gz UDADJLABORDVPO-IJLUTSLNSA-N 2 2 330.354 1.431 20 0 EDADLP C[NH2+]CCOCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000638578871 451587210 /nfs/dbraw/zinc/58/72/10/451587210.db2.gz UAFDPILNFAAENJ-MRXNPFEDSA-N 2 2 337.489 1.129 20 0 EDADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)C(C)(C)C ZINC000638605880 451603290 /nfs/dbraw/zinc/60/32/90/451603290.db2.gz USUYSIYFKQAJBT-LBPRGKRZSA-N 2 2 333.523 1.852 20 0 EDADLP Cc1nnsc1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631141533 451605951 /nfs/dbraw/zinc/60/59/51/451605951.db2.gz DWHFKCAANCVKJC-UHFFFAOYSA-N 2 2 348.472 1.847 20 0 EDADLP O=C1NCCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631160411 451618241 /nfs/dbraw/zinc/61/82/41/451618241.db2.gz DVFSANVHSRXEQO-QGZVFWFLSA-N 2 2 347.459 1.013 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638653527 451632906 /nfs/dbraw/zinc/63/29/06/451632906.db2.gz LITZYJJDFXJFFI-NVXWUHKLSA-N 3 2 339.528 1.314 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638653527 451632909 /nfs/dbraw/zinc/63/29/09/451632909.db2.gz LITZYJJDFXJFFI-NVXWUHKLSA-N 3 2 339.528 1.314 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC1(C(F)F)CC1 ZINC000638720894 451664914 /nfs/dbraw/zinc/66/49/14/451664914.db2.gz LSTKCPZEDHDEJX-HNNXBMFYSA-N 2 2 348.397 1.963 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636296176 451665967 /nfs/dbraw/zinc/66/59/67/451665967.db2.gz WZPWRBVXQNSWRX-QGZVFWFLSA-N 2 2 339.443 1.227 20 0 EDADLP CCc1c[nH]c(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000636311601 451673241 /nfs/dbraw/zinc/67/32/41/451673241.db2.gz GYBCVOLSKJBEME-UHFFFAOYSA-N 2 2 328.420 1.300 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn(CC4CC4)c3)C2)CC1 ZINC000631259652 451667211 /nfs/dbraw/zinc/66/72/11/451667211.db2.gz YBYRZSYUKFNDQA-INIZCTEOSA-N 2 2 331.464 1.191 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnn(CC4CC4)c3)C2)CC1 ZINC000631259652 451667215 /nfs/dbraw/zinc/66/72/15/451667215.db2.gz YBYRZSYUKFNDQA-INIZCTEOSA-N 2 2 331.464 1.191 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)C1([NH2+]C2CC2)CCC1 ZINC000638731047 451669880 /nfs/dbraw/zinc/66/98/80/451669880.db2.gz JIPYFQZDTGRFEM-QGZVFWFLSA-N 2 2 344.459 1.073 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)C1([NH2+]C2CC2)CCC1 ZINC000638731047 451669881 /nfs/dbraw/zinc/66/98/81/451669881.db2.gz JIPYFQZDTGRFEM-QGZVFWFLSA-N 2 2 344.459 1.073 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H](c2nccn2C)C2CC2)C1=O ZINC000638979715 451744785 /nfs/dbraw/zinc/74/47/85/451744785.db2.gz GOHRXCKCUBLMGO-GDBMZVCRSA-N 2 2 342.447 1.386 20 0 EDADLP COc1ccnc(OC)c1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983670 451745806 /nfs/dbraw/zinc/74/58/06/451745806.db2.gz LGDHLFBPMMUHSX-UHFFFAOYSA-N 2 2 343.387 1.156 20 0 EDADLP [NH3+][C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc(Cl)c1 ZINC000638986933 451747270 /nfs/dbraw/zinc/74/72/70/451747270.db2.gz IIOZXGOWEQZQSV-INIZCTEOSA-N 3 2 345.834 1.783 20 0 EDADLP C[C@@]([NH3+])(C(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000639005604 451751768 /nfs/dbraw/zinc/75/17/68/451751768.db2.gz XWZXZZXTWJCWDN-IBGZPJMESA-N 2 2 339.443 1.037 20 0 EDADLP CC[C@H]([NH3+])c1cn(C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641213878 451783572 /nfs/dbraw/zinc/78/35/72/451783572.db2.gz NVESZZBSKHYQMG-KBPBESRZSA-N 2 2 328.420 1.716 20 0 EDADLP CC[NH+](CC)CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641249126 451793638 /nfs/dbraw/zinc/79/36/38/451793638.db2.gz GQFGVKLGZAFICN-UHFFFAOYSA-N 2 2 325.478 1.295 20 0 EDADLP Cc1cccc(C[NH+]2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)c1 ZINC000641258174 451796046 /nfs/dbraw/zinc/79/60/46/451796046.db2.gz NICNJPAIWVHSNK-UHFFFAOYSA-N 2 2 348.472 1.339 20 0 EDADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000653285653 451815205 /nfs/dbraw/zinc/81/52/05/451815205.db2.gz UTPYTOOHUJRXRI-BXUZGUMPSA-N 2 2 337.370 1.528 20 0 EDADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000653285653 451815210 /nfs/dbraw/zinc/81/52/10/451815210.db2.gz UTPYTOOHUJRXRI-BXUZGUMPSA-N 2 2 337.370 1.528 20 0 EDADLP O[C@]12C[C@H]1C[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)CC2 ZINC000639320093 451825417 /nfs/dbraw/zinc/82/54/17/451825417.db2.gz HQQBWTCFIUKGIP-PKOBYXMFSA-N 2 2 332.444 1.354 20 0 EDADLP O[C@]12C[C@H]1C[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)CC2 ZINC000639320093 451825420 /nfs/dbraw/zinc/82/54/20/451825420.db2.gz HQQBWTCFIUKGIP-PKOBYXMFSA-N 2 2 332.444 1.354 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000653298303 451828191 /nfs/dbraw/zinc/82/81/91/451828191.db2.gz BSZGLDNWJXNYPL-ZBFHGGJFSA-N 2 2 346.475 1.919 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000653298303 451828197 /nfs/dbraw/zinc/82/81/97/451828197.db2.gz BSZGLDNWJXNYPL-ZBFHGGJFSA-N 2 2 346.475 1.919 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)C1CC1 ZINC000644579980 451874490 /nfs/dbraw/zinc/87/44/90/451874490.db2.gz OGLSGQQLJZYNGF-OWYHZJEWSA-N 2 2 343.471 1.188 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1)C1CC1 ZINC000644579980 451874494 /nfs/dbraw/zinc/87/44/94/451874494.db2.gz OGLSGQQLJZYNGF-OWYHZJEWSA-N 2 2 343.471 1.188 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)C1CC1 ZINC000644579977 451874579 /nfs/dbraw/zinc/87/45/79/451874579.db2.gz OGLSGQQLJZYNGF-NXWXRZEISA-N 2 2 343.471 1.188 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)C1CC1 ZINC000644579977 451874580 /nfs/dbraw/zinc/87/45/80/451874580.db2.gz OGLSGQQLJZYNGF-NXWXRZEISA-N 2 2 343.471 1.188 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000639480203 451891982 /nfs/dbraw/zinc/89/19/82/451891982.db2.gz GXYXUQPMMSXBRP-UHFFFAOYSA-N 2 2 326.444 1.811 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(F)cccc1F ZINC000649278970 451949026 /nfs/dbraw/zinc/94/90/26/451949026.db2.gz PFVMPVMRTPVJRE-LRDDRELGSA-N 2 2 339.386 1.288 20 0 EDADLP CO[C@H](C)c1noc(CN2CCC[N@@H+](CCc3c[nH+]cn3C)CC2)n1 ZINC000639512885 451916037 /nfs/dbraw/zinc/91/60/37/451916037.db2.gz DEOMSRDRZRSQIA-CQSZACIVSA-N 2 2 348.451 1.261 20 0 EDADLP C[N@@H+]1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000649274606 451946042 /nfs/dbraw/zinc/94/60/42/451946042.db2.gz RXEYBKQHCVYLSV-ZDUSSCGKSA-N 2 2 330.354 1.219 20 0 EDADLP C[N@H+]1CCN(C(=O)CNc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000649274606 451946049 /nfs/dbraw/zinc/94/60/49/451946049.db2.gz RXEYBKQHCVYLSV-ZDUSSCGKSA-N 2 2 330.354 1.219 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@]2([NH3+])CCN(C)C2)C1 ZINC000649288426 451961880 /nfs/dbraw/zinc/96/18/80/451961880.db2.gz PIBCTQPRNNTBTK-JXFKEZNVSA-N 2 2 344.503 1.568 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2([NH3+])CCN(C)C2)C1 ZINC000649288426 451961884 /nfs/dbraw/zinc/96/18/84/451961884.db2.gz PIBCTQPRNNTBTK-JXFKEZNVSA-N 2 2 344.503 1.568 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651631273 451976636 /nfs/dbraw/zinc/97/66/36/451976636.db2.gz HDTNLDBJVRSOJK-UHFFFAOYSA-N 2 2 330.432 1.814 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000649304980 451982356 /nfs/dbraw/zinc/98/23/56/451982356.db2.gz UCIKFMCZZWEURW-AEFFLSMTSA-N 3 2 341.459 1.012 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000649304980 451982360 /nfs/dbraw/zinc/98/23/60/451982360.db2.gz UCIKFMCZZWEURW-AEFFLSMTSA-N 3 2 341.459 1.012 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)C3(C[NH3+])CCOCC3)c2)CC1 ZINC000649351729 452034885 /nfs/dbraw/zinc/03/48/85/452034885.db2.gz MOOHWFSAFMJCFS-UHFFFAOYSA-N 2 2 346.475 1.128 20 0 EDADLP CNC(=O)c1cc(O[C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000639702202 452037817 /nfs/dbraw/zinc/03/78/17/452037817.db2.gz DWKQBCZJTPLXNV-INIZCTEOSA-N 2 2 343.431 1.571 20 0 EDADLP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000639702202 452037822 /nfs/dbraw/zinc/03/78/22/452037822.db2.gz DWKQBCZJTPLXNV-INIZCTEOSA-N 2 2 343.431 1.571 20 0 EDADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000644868207 452040221 /nfs/dbraw/zinc/04/02/21/452040221.db2.gz FRGFMWWERSGGSG-UAGQMJEPSA-N 2 2 342.443 1.767 20 0 EDADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000644868207 452040224 /nfs/dbraw/zinc/04/02/24/452040224.db2.gz FRGFMWWERSGGSG-UAGQMJEPSA-N 2 2 342.443 1.767 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000637734603 452050919 /nfs/dbraw/zinc/05/09/19/452050919.db2.gz QUGMGZPYLCFQLT-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP COC[C@H](CC(C)(C)C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000651759615 452059999 /nfs/dbraw/zinc/05/99/99/452059999.db2.gz XHHRJLVNNDKUPE-GJZGRUSLSA-N 2 2 336.480 1.952 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)CCC[NH3+])CC1 ZINC000649410027 452073598 /nfs/dbraw/zinc/07/35/98/452073598.db2.gz ISVUDJQROYBYOL-UHFFFAOYSA-N 3 2 332.492 1.310 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)CCC[NH3+])CC1 ZINC000649410027 452073606 /nfs/dbraw/zinc/07/36/06/452073606.db2.gz ISVUDJQROYBYOL-UHFFFAOYSA-N 3 2 332.492 1.310 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)CCC[NH3+])CC1 ZINC000649410027 452073611 /nfs/dbraw/zinc/07/36/11/452073611.db2.gz ISVUDJQROYBYOL-UHFFFAOYSA-N 3 2 332.492 1.310 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)CCC[NH3+])CC1 ZINC000649410027 452073618 /nfs/dbraw/zinc/07/36/18/452073618.db2.gz ISVUDJQROYBYOL-UHFFFAOYSA-N 3 2 332.492 1.310 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC(C)([NH3+])CC1 ZINC000649416206 452077770 /nfs/dbraw/zinc/07/77/70/452077770.db2.gz XICLCFBSSBQANO-INIZCTEOSA-N 2 2 330.476 1.537 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000649416666 452078081 /nfs/dbraw/zinc/07/80/81/452078081.db2.gz HVFYQBDYYIHLJZ-YQVWRLOYSA-N 2 2 344.503 1.688 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000649416666 452078090 /nfs/dbraw/zinc/07/80/90/452078090.db2.gz HVFYQBDYYIHLJZ-YQVWRLOYSA-N 2 2 344.503 1.688 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[NH2+]Cc1cccnc1)CC2 ZINC000637806059 452091824 /nfs/dbraw/zinc/09/18/24/452091824.db2.gz GRNGBIJQPDXYFV-MRXNPFEDSA-N 2 2 327.432 1.445 20 0 EDADLP NC(=O)C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000643250267 452095584 /nfs/dbraw/zinc/09/55/84/452095584.db2.gz RSKAGZSLMGHWNY-UHFFFAOYSA-N 2 2 331.460 1.749 20 0 EDADLP NC(=O)C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000643250267 452095588 /nfs/dbraw/zinc/09/55/88/452095588.db2.gz RSKAGZSLMGHWNY-UHFFFAOYSA-N 2 2 331.460 1.749 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C[C@@H](C)O1 ZINC000649492628 452109427 /nfs/dbraw/zinc/10/94/27/452109427.db2.gz FGEROBVQWYLYBL-OBRKIGFESA-N 2 2 338.492 1.394 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@@H]3CCC[N@@H+]3C)CC2)cc(OC)c1 ZINC000649546941 452138189 /nfs/dbraw/zinc/13/81/89/452138189.db2.gz FTZVSRSLPDKKPJ-KRWDZBQOSA-N 2 2 333.476 1.916 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@@H]3CCC[N@H+]3C)CC2)cc(OC)c1 ZINC000649546941 452138192 /nfs/dbraw/zinc/13/81/92/452138192.db2.gz FTZVSRSLPDKKPJ-KRWDZBQOSA-N 2 2 333.476 1.916 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccncc1Cl ZINC000643346189 452143921 /nfs/dbraw/zinc/14/39/21/452143921.db2.gz IUCPSFRULAAJPV-GJZGRUSLSA-N 2 2 338.883 1.792 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645113062 452158398 /nfs/dbraw/zinc/15/83/98/452158398.db2.gz XBLDAWYRHRWDRB-JQHSSLGASA-N 2 2 335.492 1.620 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645113062 452158402 /nfs/dbraw/zinc/15/84/02/452158402.db2.gz XBLDAWYRHRWDRB-JQHSSLGASA-N 2 2 335.492 1.620 20 0 EDADLP Nc1nc(N2CC[NH+](Cc3cccc(O)c3)CC2)c2c([nH+]1)CCCC2 ZINC000645151077 452179538 /nfs/dbraw/zinc/17/95/38/452179538.db2.gz GCJKKRWCKBYPKF-UHFFFAOYSA-N 2 2 339.443 1.965 20 0 EDADLP Cc1cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c2ccccc2n1 ZINC000649688123 452198823 /nfs/dbraw/zinc/19/88/23/452198823.db2.gz SAWIWNJCOCESBJ-UHFFFAOYSA-N 2 2 326.444 1.749 20 0 EDADLP Cc1cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c2ccccc2n1 ZINC000649688123 452198827 /nfs/dbraw/zinc/19/88/27/452198827.db2.gz SAWIWNJCOCESBJ-UHFFFAOYSA-N 2 2 326.444 1.749 20 0 EDADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccncc2N)c2ccccc2)CC1 ZINC000641714781 452214729 /nfs/dbraw/zinc/21/47/29/452214729.db2.gz DJUKAIGFHLBHEC-LJQANCHMSA-N 2 2 325.460 1.742 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000645220836 452217182 /nfs/dbraw/zinc/21/71/82/452217182.db2.gz DWDBZOIRAPJXHY-UHFFFAOYSA-N 2 2 331.460 1.777 20 0 EDADLP Cc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc(C2CC2)[nH+]1 ZINC000641719036 452218820 /nfs/dbraw/zinc/21/88/20/452218820.db2.gz JQZPQRRSHSXYAV-KRWDZBQOSA-N 2 2 345.491 1.871 20 0 EDADLP Cc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc(C2CC2)[nH+]1 ZINC000641719036 452218825 /nfs/dbraw/zinc/21/88/25/452218825.db2.gz JQZPQRRSHSXYAV-KRWDZBQOSA-N 2 2 345.491 1.871 20 0 EDADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000645233295 452226609 /nfs/dbraw/zinc/22/66/09/452226609.db2.gz AWXVCPAVGLUCIF-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000645233295 452226616 /nfs/dbraw/zinc/22/66/16/452226616.db2.gz AWXVCPAVGLUCIF-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@@H](C)[N@H+](C)C3CC3)cn21 ZINC000645263102 452240981 /nfs/dbraw/zinc/24/09/81/452240981.db2.gz KOXKLNCTZOSPIN-CQSZACIVSA-N 2 2 329.448 1.967 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@@H](C)[N@@H+](C)C3CC3)cn21 ZINC000645263102 452240988 /nfs/dbraw/zinc/24/09/88/452240988.db2.gz KOXKLNCTZOSPIN-CQSZACIVSA-N 2 2 329.448 1.967 20 0 EDADLP O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657435694 452246084 /nfs/dbraw/zinc/24/60/84/452246084.db2.gz OGOCXPMGGREJSN-UHFFFAOYSA-N 2 2 346.456 1.659 20 0 EDADLP COc1ccc(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000655456927 452250974 /nfs/dbraw/zinc/25/09/74/452250974.db2.gz XAKZNZHUMILPBX-CQSZACIVSA-N 2 2 344.415 1.806 20 0 EDADLP COCCn1c2ccccc2[nH+]c1NCc1c[nH+]c(N(C)C)n1C ZINC000641781597 452252119 /nfs/dbraw/zinc/25/21/19/452252119.db2.gz WZDNNXGSPQPPDF-UHFFFAOYSA-N 2 2 328.420 2.094 20 0 EDADLP c1c2cnccc2oc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786505 452260613 /nfs/dbraw/zinc/26/06/13/452260613.db2.gz GDNDMZXIJGCJSK-QGZVFWFLSA-N 2 2 344.459 1.714 20 0 EDADLP CCn1nc(C)c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1C ZINC000641787510 452263548 /nfs/dbraw/zinc/26/35/48/452263548.db2.gz CFLPRWYWIIVHSW-GOSISDBHSA-N 2 2 349.523 1.406 20 0 EDADLP COC1([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000641788053 452264042 /nfs/dbraw/zinc/26/40/42/452264042.db2.gz XSXYDHWFFJNHJB-ZWKOTPCHSA-N 2 2 339.524 1.720 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641789151 452267089 /nfs/dbraw/zinc/26/70/89/452267089.db2.gz ZKLGYBVHJGHJBE-AEFFLSMTSA-N 2 2 325.497 1.188 20 0 EDADLP CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638021847 452267592 /nfs/dbraw/zinc/26/75/92/452267592.db2.gz NOBYBNPEGARKLK-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638021847 452267595 /nfs/dbraw/zinc/26/75/95/452267595.db2.gz NOBYBNPEGARKLK-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP CCO[C@H]1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C12CCOCC2 ZINC000643503944 452268995 /nfs/dbraw/zinc/26/89/95/452268995.db2.gz OWMYDTAWJQWTOP-SJORKVTESA-N 2 2 346.475 1.877 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502331 452269828 /nfs/dbraw/zinc/26/98/28/452269828.db2.gz CRECCYNDGFVHOQ-WCQYABFASA-N 2 2 328.254 1.731 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccccc1 ZINC000659429061 452272002 /nfs/dbraw/zinc/27/20/02/452272002.db2.gz LGJCNDXKXFRWAS-KFWWJZLASA-N 2 2 331.395 1.590 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000659430409 452274581 /nfs/dbraw/zinc/27/45/81/452274581.db2.gz DQIZVINKCMVGRX-UHFFFAOYSA-N 2 2 329.448 1.705 20 0 EDADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]1CCO ZINC000661492611 452293979 /nfs/dbraw/zinc/29/39/79/452293979.db2.gz LODOOYOMWZWAKN-AEFFLSMTSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]1CCO ZINC000661492611 452293989 /nfs/dbraw/zinc/29/39/89/452293989.db2.gz LODOOYOMWZWAKN-AEFFLSMTSA-N 2 2 349.475 1.407 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000661506141 452308503 /nfs/dbraw/zinc/30/85/03/452308503.db2.gz FLYNUJOCBUYBPY-OAHLLOKOSA-N 2 2 334.464 1.980 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000661506141 452308516 /nfs/dbraw/zinc/30/85/16/452308516.db2.gz FLYNUJOCBUYBPY-OAHLLOKOSA-N 2 2 334.464 1.980 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccccc1 ZINC000652122379 452316674 /nfs/dbraw/zinc/31/66/74/452316674.db2.gz TXZOZESZGJIVTF-HNNXBMFYSA-N 2 2 327.432 1.938 20 0 EDADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000638048430 452317944 /nfs/dbraw/zinc/31/79/44/452317944.db2.gz DAOWLCUVLRLRFH-CQSZACIVSA-N 2 2 335.448 1.346 20 0 EDADLP COC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC[NH2+]1 ZINC000638050984 452322726 /nfs/dbraw/zinc/32/27/26/452322726.db2.gz ASUKHCQHSPDZND-LJQANCHMSA-N 2 2 347.459 1.616 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000638051097 452323325 /nfs/dbraw/zinc/32/33/25/452323325.db2.gz BXHFWPYYPILWMO-KBXCAEBGSA-N 2 2 338.411 1.883 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000647593803 452330985 /nfs/dbraw/zinc/33/09/85/452330985.db2.gz JPHYPJCRESKWKD-LSDHHAIUSA-N 2 2 334.464 1.261 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000647593803 452330996 /nfs/dbraw/zinc/33/09/96/452330996.db2.gz JPHYPJCRESKWKD-LSDHHAIUSA-N 2 2 334.464 1.261 20 0 EDADLP CO[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002296 452333550 /nfs/dbraw/zinc/33/35/50/452333550.db2.gz XLKKLKFNZNFPKM-ZCNNSNEGSA-N 2 2 348.487 1.749 20 0 EDADLP CO[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002296 452333559 /nfs/dbraw/zinc/33/35/59/452333559.db2.gz XLKKLKFNZNFPKM-ZCNNSNEGSA-N 2 2 348.487 1.749 20 0 EDADLP CO[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002296 452333568 /nfs/dbraw/zinc/33/35/68/452333568.db2.gz XLKKLKFNZNFPKM-ZCNNSNEGSA-N 2 2 348.487 1.749 20 0 EDADLP CO[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002296 452333580 /nfs/dbraw/zinc/33/35/80/452333580.db2.gz XLKKLKFNZNFPKM-ZCNNSNEGSA-N 2 2 348.487 1.749 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)CC2)cc1 ZINC000638054661 452336744 /nfs/dbraw/zinc/33/67/44/452336744.db2.gz DZHBZOLEBPRCDC-KRWDZBQOSA-N 2 2 329.444 1.777 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638059294 452349941 /nfs/dbraw/zinc/34/99/41/452349941.db2.gz YJDNJYGOLDVSLN-LJQANCHMSA-N 2 2 342.443 1.706 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638069627 452374483 /nfs/dbraw/zinc/37/44/83/452374483.db2.gz LPEWNXMYFUGUGD-SMDDNHRTSA-N 2 2 345.365 1.542 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000638077486 452388788 /nfs/dbraw/zinc/38/87/88/452388788.db2.gz SJPQURIGDLZFMK-ZWKOTPCHSA-N 2 2 329.444 1.532 20 0 EDADLP CC[C@@H](OCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000652225865 452417255 /nfs/dbraw/zinc/41/72/55/452417255.db2.gz GVZZYEAAAZQGLK-DLBZAZTESA-N 2 2 334.464 1.439 20 0 EDADLP CC[C@@H](OCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000652225865 452417259 /nfs/dbraw/zinc/41/72/59/452417259.db2.gz GVZZYEAAAZQGLK-DLBZAZTESA-N 2 2 334.464 1.439 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000663680546 452417498 /nfs/dbraw/zinc/41/74/98/452417498.db2.gz IRTMFOIANCGEFG-INIZCTEOSA-N 2 2 349.479 1.636 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C(C)(C)CO ZINC000663690657 452428124 /nfs/dbraw/zinc/42/81/24/452428124.db2.gz ZRYNZPXFMUYOGR-HIFRSBDPSA-N 2 2 349.479 1.263 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000663690657 452428132 /nfs/dbraw/zinc/42/81/32/452428132.db2.gz ZRYNZPXFMUYOGR-HIFRSBDPSA-N 2 2 349.479 1.263 20 0 EDADLP C[NH+](C)CC[C@](C)(O)CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000640130662 452453066 /nfs/dbraw/zinc/45/30/66/452453066.db2.gz GCUNKQMKDXUXDD-YPMHNXCESA-N 2 2 336.358 1.196 20 0 EDADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000640130661 452453088 /nfs/dbraw/zinc/45/30/88/452453088.db2.gz GCUNKQMKDXUXDD-WCQYABFASA-N 2 2 336.358 1.196 20 0 EDADLP C[C@H](NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1[nH+]ccn1C ZINC000659628377 452484847 /nfs/dbraw/zinc/48/48/47/452484847.db2.gz PCOLALKGPSBQCS-QEJZJMRPSA-N 2 2 335.452 1.409 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@@H]1C ZINC000663758732 452486400 /nfs/dbraw/zinc/48/64/00/452486400.db2.gz ABFVPVYNWKKNKU-GJZGRUSLSA-N 2 2 333.480 1.747 20 0 EDADLP CC[N@H+]1C[C@H](C)N(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@@H]1C ZINC000663758732 452486409 /nfs/dbraw/zinc/48/64/09/452486409.db2.gz ABFVPVYNWKKNKU-GJZGRUSLSA-N 2 2 333.480 1.747 20 0 EDADLP c1c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[nH]nc1-c1cccnc1 ZINC000657751553 452498578 /nfs/dbraw/zinc/49/85/78/452498578.db2.gz RUNBUJUVKVRXER-QGZVFWFLSA-N 2 2 327.432 1.815 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC4(CC4(F)F)C3)C2)CC1 ZINC000654444729 452506915 /nfs/dbraw/zinc/50/69/15/452506915.db2.gz BKAJUJNGAHGJPQ-GFCCVEGCSA-N 2 2 328.407 1.206 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC4(CC4(F)F)C3)C2)CC1 ZINC000654444729 452506923 /nfs/dbraw/zinc/50/69/23/452506923.db2.gz BKAJUJNGAHGJPQ-GFCCVEGCSA-N 2 2 328.407 1.206 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc[nH+]1 ZINC000647789028 452522884 /nfs/dbraw/zinc/52/28/84/452522884.db2.gz XABYZVZLBDLCLT-GUDVDZBRSA-N 4 2 343.519 1.571 20 0 EDADLP O=C1[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCN1c1ccccc1F ZINC000655729372 452542486 /nfs/dbraw/zinc/54/24/86/452542486.db2.gz FXOGYYOFSRAQOD-RDJZCZTQSA-N 2 2 347.434 1.774 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815310 452545107 /nfs/dbraw/zinc/54/51/07/452545107.db2.gz YSNLHLSTSDRFPR-UHFFFAOYSA-N 2 2 338.473 1.685 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815310 452545117 /nfs/dbraw/zinc/54/51/17/452545117.db2.gz YSNLHLSTSDRFPR-UHFFFAOYSA-N 2 2 338.473 1.685 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@H+](CCO)[C@H](C)C3)c2cc1OC ZINC000663823516 452549448 /nfs/dbraw/zinc/54/94/48/452549448.db2.gz WAUVQUCXFWXPPG-CYBMUJFWSA-N 2 2 331.416 1.755 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@@H+](CCO)[C@H](C)C3)c2cc1OC ZINC000663823516 452549456 /nfs/dbraw/zinc/54/94/56/452549456.db2.gz WAUVQUCXFWXPPG-CYBMUJFWSA-N 2 2 331.416 1.755 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCCC1)c1ccccc1 ZINC000659681531 452554083 /nfs/dbraw/zinc/55/40/83/452554083.db2.gz JGTFQZYHIXZVOG-UHFFFAOYSA-N 2 2 346.475 1.407 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCCC1)c1ccccc1 ZINC000659681531 452554096 /nfs/dbraw/zinc/55/40/96/452554096.db2.gz JGTFQZYHIXZVOG-UHFFFAOYSA-N 2 2 346.475 1.407 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)C1 ZINC000652368955 452554385 /nfs/dbraw/zinc/55/43/85/452554385.db2.gz IVTMOVTXCQOXFW-KGLIPLIRSA-N 2 2 335.452 1.233 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)C1 ZINC000652368955 452554390 /nfs/dbraw/zinc/55/43/90/452554390.db2.gz IVTMOVTXCQOXFW-KGLIPLIRSA-N 2 2 335.452 1.233 20 0 EDADLP COC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000652370962 452557976 /nfs/dbraw/zinc/55/79/76/452557976.db2.gz YQDOMQPFQLOJMG-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP COC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000652370962 452557981 /nfs/dbraw/zinc/55/79/81/452557981.db2.gz YQDOMQPFQLOJMG-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@H]3[C@@H](C)O)CC2)c1 ZINC000661774760 452571001 /nfs/dbraw/zinc/57/10/01/452571001.db2.gz RHKIFEPIYNPZGM-IEBWSBKVSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3[C@@H](C)O)CC2)c1 ZINC000661774760 452571008 /nfs/dbraw/zinc/57/10/08/452571008.db2.gz RHKIFEPIYNPZGM-IEBWSBKVSA-N 2 2 345.487 1.484 20 0 EDADLP COc1c(C)cccc1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000654508475 452583520 /nfs/dbraw/zinc/58/35/20/452583520.db2.gz GBITVRPHCCTNJD-UHFFFAOYSA-N 2 2 348.491 1.829 20 0 EDADLP C[NH+]1CCN(c2ncc(CN[C@H]3CCC[N@@H+]4CCCC[C@H]34)cn2)CC1 ZINC000655857397 452608488 /nfs/dbraw/zinc/60/84/88/452608488.db2.gz UDXXGTPKFBLVEO-ZWKOTPCHSA-N 2 2 344.507 1.335 20 0 EDADLP C[NH+]1CCN(c2ncc(CN[C@H]3CCC[N@H+]4CCCC[C@H]34)cn2)CC1 ZINC000655857397 452608498 /nfs/dbraw/zinc/60/84/98/452608498.db2.gz UDXXGTPKFBLVEO-ZWKOTPCHSA-N 2 2 344.507 1.335 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000643797269 452664968 /nfs/dbraw/zinc/66/49/68/452664968.db2.gz ZUAAVGFXLKAWHW-AWEZNQCLSA-N 2 2 343.435 1.008 20 0 EDADLP C[C@H]1c2ccccc2C[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666178232 452665487 /nfs/dbraw/zinc/66/54/87/452665487.db2.gz JYYNKNNDYRGNNM-MAUKXSAKSA-N 2 2 332.492 1.898 20 0 EDADLP C[C@H]1c2ccccc2C[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666178232 452665493 /nfs/dbraw/zinc/66/54/93/452665493.db2.gz JYYNKNNDYRGNNM-MAUKXSAKSA-N 2 2 332.492 1.898 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC000655911261 452668562 /nfs/dbraw/zinc/66/85/62/452668562.db2.gz IECULSQHPFWNBX-LLVKDONJSA-N 2 2 331.342 1.239 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCOc2c(C)cccc2C)CC[C@@H]1[NH3+] ZINC000647936447 452676090 /nfs/dbraw/zinc/67/60/90/452676090.db2.gz DYPXGABWEOJGEW-SJORKVTESA-N 2 2 333.476 1.858 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCOc2c(C)cccc2C)CC[C@@H]1[NH3+] ZINC000647936447 452676096 /nfs/dbraw/zinc/67/60/96/452676096.db2.gz DYPXGABWEOJGEW-SJORKVTESA-N 2 2 333.476 1.858 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC[C@H]1[NH3+] ZINC000647940028 452682254 /nfs/dbraw/zinc/68/22/54/452682254.db2.gz KMIRCKQYJBLLEF-UONOGXRCSA-N 2 2 344.459 1.810 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC[C@H]1[NH3+] ZINC000647940028 452682262 /nfs/dbraw/zinc/68/22/62/452682262.db2.gz KMIRCKQYJBLLEF-UONOGXRCSA-N 2 2 344.459 1.810 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000647967311 452711755 /nfs/dbraw/zinc/71/17/55/452711755.db2.gz AOHCWBIDZYNUFQ-SFHVURJKSA-N 2 2 348.491 1.974 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000647967311 452711766 /nfs/dbraw/zinc/71/17/66/452711766.db2.gz AOHCWBIDZYNUFQ-SFHVURJKSA-N 2 2 348.491 1.974 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000647971718 452715098 /nfs/dbraw/zinc/71/50/98/452715098.db2.gz URQXPJFVIRAZGW-QAETUUGQSA-N 2 2 338.471 1.815 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000647971718 452715103 /nfs/dbraw/zinc/71/51/03/452715103.db2.gz URQXPJFVIRAZGW-QAETUUGQSA-N 2 2 338.471 1.815 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661976246 452728805 /nfs/dbraw/zinc/72/88/05/452728805.db2.gz RAWZNGDGAONZAE-MRXNPFEDSA-N 2 2 343.431 1.387 20 0 EDADLP NC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647988405 452730954 /nfs/dbraw/zinc/73/09/54/452730954.db2.gz FVNCNJYNTJBZEB-BBRMVZONSA-N 2 2 336.867 1.094 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664034488 452732818 /nfs/dbraw/zinc/73/28/18/452732818.db2.gz WZFVYZSZOSBOFN-IRXDYDNUSA-N 3 2 341.544 1.432 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664034488 452732823 /nfs/dbraw/zinc/73/28/23/452732823.db2.gz WZFVYZSZOSBOFN-IRXDYDNUSA-N 3 2 341.544 1.432 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2=O)cc1 ZINC000658158312 452766659 /nfs/dbraw/zinc/76/66/59/452766659.db2.gz ZJRWTRAMGMLZKB-LBTNJELSSA-N 2 2 329.444 1.873 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)CC2=O)cc1 ZINC000658158312 452766667 /nfs/dbraw/zinc/76/66/67/452766667.db2.gz ZJRWTRAMGMLZKB-LBTNJELSSA-N 2 2 329.444 1.873 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654656894 452770676 /nfs/dbraw/zinc/77/06/76/452770676.db2.gz ZQFVSHJURQDGLD-TWMKSMIVSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654656894 452770684 /nfs/dbraw/zinc/77/06/84/452770684.db2.gz ZQFVSHJURQDGLD-TWMKSMIVSA-N 2 2 340.512 1.610 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)Nc1ccc(N)[nH+]c1)C1CCCCC1 ZINC000652633304 452789772 /nfs/dbraw/zinc/78/97/72/452789772.db2.gz JVPMSRNPAGQJNJ-UHFFFAOYSA-N 2 2 347.463 1.594 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)Nc1ccc(N)[nH+]c1)C1CCCCC1 ZINC000652633304 452789781 /nfs/dbraw/zinc/78/97/81/452789781.db2.gz JVPMSRNPAGQJNJ-UHFFFAOYSA-N 2 2 347.463 1.594 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@H]2[NH3+])cn1 ZINC000643895370 452799530 /nfs/dbraw/zinc/79/95/30/452799530.db2.gz AVTLRLOLULTKIG-JKSUJKDBSA-N 2 2 347.850 1.829 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@H]2[NH3+])cn1 ZINC000643895370 452799537 /nfs/dbraw/zinc/79/95/37/452799537.db2.gz AVTLRLOLULTKIG-JKSUJKDBSA-N 2 2 347.850 1.829 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000662075609 452821906 /nfs/dbraw/zinc/82/19/06/452821906.db2.gz FQXXSPRXUAVPDY-UHFFFAOYSA-N 2 2 343.471 1.362 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC3(COC3)C2)CC1 ZINC000662075609 452821916 /nfs/dbraw/zinc/82/19/16/452821916.db2.gz FQXXSPRXUAVPDY-UHFFFAOYSA-N 2 2 343.471 1.362 20 0 EDADLP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1[nH+]ccn1C ZINC000662098816 452840114 /nfs/dbraw/zinc/84/01/14/452840114.db2.gz AXQWSZBHSVLFSW-HZSPNIEDSA-N 2 2 337.468 1.668 20 0 EDADLP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1[nH+]ccn1C ZINC000662098816 452840125 /nfs/dbraw/zinc/84/01/25/452840125.db2.gz AXQWSZBHSVLFSW-HZSPNIEDSA-N 2 2 337.468 1.668 20 0 EDADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658343733 452855285 /nfs/dbraw/zinc/85/52/85/452855285.db2.gz SDGRKSBRRFKFBM-FUHWJXTLSA-N 2 2 328.464 1.072 20 0 EDADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658343733 452855300 /nfs/dbraw/zinc/85/53/00/452855300.db2.gz SDGRKSBRRFKFBM-FUHWJXTLSA-N 2 2 328.464 1.072 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCOCC1 ZINC000648166798 452877038 /nfs/dbraw/zinc/87/70/38/452877038.db2.gz UXVOBWHEOLZVBY-ARFHVFGLSA-N 2 2 334.464 1.862 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662154531 452892230 /nfs/dbraw/zinc/89/22/30/452892230.db2.gz GKJZYDQUKCOUAB-SFHVURJKSA-N 2 2 331.460 1.419 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662154531 452892235 /nfs/dbraw/zinc/89/22/35/452892235.db2.gz GKJZYDQUKCOUAB-SFHVURJKSA-N 2 2 331.460 1.419 20 0 EDADLP CSc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccn1 ZINC000666498378 452916756 /nfs/dbraw/zinc/91/67/56/452916756.db2.gz YYFYVODLNVRFPX-UHFFFAOYSA-N 2 2 325.482 1.809 20 0 EDADLP CSc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccn1 ZINC000666498378 452916763 /nfs/dbraw/zinc/91/67/63/452916763.db2.gz YYFYVODLNVRFPX-UHFFFAOYSA-N 2 2 325.482 1.809 20 0 EDADLP Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1F ZINC000662250840 452975035 /nfs/dbraw/zinc/97/50/35/452975035.db2.gz PFOPGRQUSBXYEK-MRXNPFEDSA-N 2 2 347.434 1.413 20 0 EDADLP c1cn(-c2cc(N3CCC[C@H]([NH+]4CCOCC4)CC3)ncn2)c[nH+]1 ZINC000656230873 452975537 /nfs/dbraw/zinc/97/55/37/452975537.db2.gz VNLLZEMMWPWDSZ-HNNXBMFYSA-N 2 2 328.420 1.353 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1cc(F)ccc1F ZINC000664298081 452977960 /nfs/dbraw/zinc/97/79/60/452977960.db2.gz NCWPWOFTLPNAPO-UHFFFAOYSA-N 2 2 342.434 1.690 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1cc(F)ccc1F ZINC000664298081 452977969 /nfs/dbraw/zinc/97/79/69/452977969.db2.gz NCWPWOFTLPNAPO-UHFFFAOYSA-N 2 2 342.434 1.690 20 0 EDADLP C[N@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662251754 452979089 /nfs/dbraw/zinc/97/90/89/452979089.db2.gz FJBNENSAZJKLBG-DZGCQCFKSA-N 2 2 348.365 1.365 20 0 EDADLP C[N@@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662251754 452979095 /nfs/dbraw/zinc/97/90/95/452979095.db2.gz FJBNENSAZJKLBG-DZGCQCFKSA-N 2 2 348.365 1.365 20 0 EDADLP c1ccc(-c2n[nH]c(C3CC[NH+](C[C@H]4C[NH2+]CCO4)CC3)n2)cc1 ZINC000662258943 452988209 /nfs/dbraw/zinc/98/82/09/452988209.db2.gz YSWWYGHDTPSKAX-MRXNPFEDSA-N 2 2 327.432 1.640 20 0 EDADLP Cc1ccc(CN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C2CC2)cc1 ZINC000662285663 453009557 /nfs/dbraw/zinc/00/95/57/453009557.db2.gz MAESOGWWRVGGQS-UHFFFAOYSA-N 2 2 331.460 1.190 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650810689 453012223 /nfs/dbraw/zinc/01/22/23/453012223.db2.gz YUNKRLBXIOPBCT-SFHVURJKSA-N 2 2 341.459 1.760 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000650810689 453012231 /nfs/dbraw/zinc/01/22/31/453012231.db2.gz YUNKRLBXIOPBCT-SFHVURJKSA-N 2 2 341.459 1.760 20 0 EDADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1cccc(Cl)c1Cl ZINC000662286641 453012828 /nfs/dbraw/zinc/01/28/28/453012828.db2.gz USNLWGNSHIGFAH-UHFFFAOYSA-N 2 2 332.231 1.636 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662298340 453020678 /nfs/dbraw/zinc/02/06/78/453020678.db2.gz XUFKMKQRFFPXNN-UONOGXRCSA-N 2 2 335.448 1.342 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662298340 453020685 /nfs/dbraw/zinc/02/06/85/453020685.db2.gz XUFKMKQRFFPXNN-UONOGXRCSA-N 2 2 335.448 1.342 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319216 453034928 /nfs/dbraw/zinc/03/49/28/453034928.db2.gz KTKSUSBUMQUBML-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319216 453034935 /nfs/dbraw/zinc/03/49/35/453034935.db2.gz KTKSUSBUMQUBML-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1F ZINC000648370676 453038697 /nfs/dbraw/zinc/03/86/97/453038697.db2.gz QCWUUZYTMORZFQ-SJLPKXTDSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1F ZINC000648370676 453038705 /nfs/dbraw/zinc/03/87/05/453038705.db2.gz QCWUUZYTMORZFQ-SJLPKXTDSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1F ZINC000648370676 453038709 /nfs/dbraw/zinc/03/87/09/453038709.db2.gz QCWUUZYTMORZFQ-SJLPKXTDSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1F ZINC000648370676 453038717 /nfs/dbraw/zinc/03/87/17/453038717.db2.gz QCWUUZYTMORZFQ-SJLPKXTDSA-N 2 2 335.467 1.971 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662324581 453043329 /nfs/dbraw/zinc/04/33/29/453043329.db2.gz YQJOBTCDHYTOAZ-SFHVURJKSA-N 2 2 333.476 1.931 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662324581 453043336 /nfs/dbraw/zinc/04/33/36/453043336.db2.gz YQJOBTCDHYTOAZ-SFHVURJKSA-N 2 2 333.476 1.931 20 0 EDADLP CCc1noc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662335940 453054015 /nfs/dbraw/zinc/05/40/15/453054015.db2.gz BGKOZNOOJWYENP-CYBMUJFWSA-N 2 2 345.451 1.144 20 0 EDADLP CCc1noc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662335940 453054022 /nfs/dbraw/zinc/05/40/22/453054022.db2.gz BGKOZNOOJWYENP-CYBMUJFWSA-N 2 2 345.451 1.144 20 0 EDADLP C[C@@H]1CC[C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000656313916 453056144 /nfs/dbraw/zinc/05/61/44/453056144.db2.gz INOQOVQUYLBFOB-PVAVHDDUSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CC[C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000656313916 453056152 /nfs/dbraw/zinc/05/61/52/453056152.db2.gz INOQOVQUYLBFOB-PVAVHDDUSA-N 2 2 338.496 1.364 20 0 EDADLP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662355371 453070392 /nfs/dbraw/zinc/07/03/92/453070392.db2.gz HVZKITOAEUMKOX-CQSZACIVSA-N 2 2 345.472 1.506 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644160629 453092094 /nfs/dbraw/zinc/09/20/94/453092094.db2.gz ZGTGUTGYNFPBTM-GFCCVEGCSA-N 2 2 340.374 1.410 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000660177289 453106379 /nfs/dbraw/zinc/10/63/79/453106379.db2.gz BVLHSLMCXWAOJF-QZTJIDSGSA-N 2 2 333.476 1.641 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000660177289 453106383 /nfs/dbraw/zinc/10/63/83/453106383.db2.gz BVLHSLMCXWAOJF-QZTJIDSGSA-N 2 2 333.476 1.641 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3cnnn3C3CC[NH2+]CC3)[nH+]c2c1 ZINC000662400063 453110739 /nfs/dbraw/zinc/11/07/39/453110739.db2.gz HKACILWKMBWOCS-UHFFFAOYSA-N 2 2 339.403 1.089 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000660204487 453130053 /nfs/dbraw/zinc/13/00/53/453130053.db2.gz KLUVMOAWTRIXMC-AFAVFJNCSA-N 2 2 349.456 1.643 20 0 EDADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000662478198 453191625 /nfs/dbraw/zinc/19/16/25/453191625.db2.gz BDCCEVSJXNGNAJ-AEFFLSMTSA-N 2 2 329.444 1.544 20 0 EDADLP O=C(c1cccc2c1C[NH2+]C2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000662486021 453202500 /nfs/dbraw/zinc/20/25/00/453202500.db2.gz UWRRXJYKZFWSQF-MRXNPFEDSA-N 2 2 329.444 1.617 20 0 EDADLP COc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC(F)F ZINC000653067597 453245749 /nfs/dbraw/zinc/24/57/49/453245749.db2.gz FYVKKQZIWQGCQM-LLVKDONJSA-N 2 2 331.363 1.192 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000666923451 453248620 /nfs/dbraw/zinc/24/86/20/453248620.db2.gz LHRCATYDQWAMIP-OAHLLOKOSA-N 2 2 332.452 1.101 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000666923451 453248626 /nfs/dbraw/zinc/24/86/26/453248626.db2.gz LHRCATYDQWAMIP-OAHLLOKOSA-N 2 2 332.452 1.101 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(F)cc1Br ZINC000653074344 453253343 /nfs/dbraw/zinc/25/33/43/453253343.db2.gz FBIMBRNPSQUSMQ-LBPRGKRZSA-N 2 2 332.217 1.483 20 0 EDADLP COc1ccccc1C1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000653077173 453256645 /nfs/dbraw/zinc/25/66/45/453256645.db2.gz RMDJBULZYBTNMK-INIZCTEOSA-N 2 2 333.476 1.902 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660378396 453256700 /nfs/dbraw/zinc/25/67/00/453256700.db2.gz GLWDHMXSEMTLRD-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780021 453260735 /nfs/dbraw/zinc/26/07/35/453260735.db2.gz PVANEYVVPATQGD-SQNIBIBYSA-N 2 2 337.508 1.674 20 0 EDADLP CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780021 453260740 /nfs/dbraw/zinc/26/07/40/453260740.db2.gz PVANEYVVPATQGD-SQNIBIBYSA-N 2 2 337.508 1.674 20 0 EDADLP Cc1c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cccc1C(=O)N1CCCC1 ZINC000653082340 453262116 /nfs/dbraw/zinc/26/21/16/453262116.db2.gz RHPWBBIYBKXENV-HNNXBMFYSA-N 2 2 332.448 1.449 20 0 EDADLP CCCCNC(=O)C1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCCC1 ZINC000653084095 453264199 /nfs/dbraw/zinc/26/41/99/453264199.db2.gz UVPMCLAHSQBVDU-CQSZACIVSA-N 2 2 326.485 1.001 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000660388572 453265138 /nfs/dbraw/zinc/26/51/38/453265138.db2.gz ABCCMUSLNCPICZ-UHFFFAOYSA-N 2 2 331.464 1.775 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc[nH+]1 ZINC000664632399 453269887 /nfs/dbraw/zinc/26/98/87/453269887.db2.gz SIBFIQRSASYPMX-GDBMZVCRSA-N 2 2 327.432 1.956 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@H]2CC[N@H+]2Cc2ccccc2)nc[nH+]1 ZINC000664632399 453269894 /nfs/dbraw/zinc/26/98/94/453269894.db2.gz SIBFIQRSASYPMX-GDBMZVCRSA-N 2 2 327.432 1.956 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000653105083 453286553 /nfs/dbraw/zinc/28/65/53/453286553.db2.gz FBCUFMPKONQVRN-ZDUSSCGKSA-N 2 2 347.488 1.224 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000666971868 453287464 /nfs/dbraw/zinc/28/74/64/453287464.db2.gz JADZELUNKYQPPG-IAGOWNOFSA-N 2 2 347.463 1.483 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000666971667 453288642 /nfs/dbraw/zinc/28/86/42/453288642.db2.gz CJLAXNFSHQSQQO-QGZVFWFLSA-N 2 2 347.463 1.483 20 0 EDADLP Cn1ccnc1[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(F)cc1 ZINC000653106843 453289227 /nfs/dbraw/zinc/28/92/27/453289227.db2.gz NXLWFKDPRUWPMU-HUUCEWRRSA-N 2 2 333.411 1.044 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000653108746 453293572 /nfs/dbraw/zinc/29/35/72/453293572.db2.gz GRZKFAXSTGYUQL-MRXNPFEDSA-N 2 2 346.406 1.908 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653112855 453299267 /nfs/dbraw/zinc/29/92/67/453299267.db2.gz LEGGVYNAKNUQKL-QZTJIDSGSA-N 3 2 332.492 1.294 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653112855 453299272 /nfs/dbraw/zinc/29/92/72/453299272.db2.gz LEGGVYNAKNUQKL-QZTJIDSGSA-N 3 2 332.492 1.294 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)Nc2cnccn2)CC1 ZINC000660431775 453302358 /nfs/dbraw/zinc/30/23/58/453302358.db2.gz VAOCSSJVEIXLCJ-UHFFFAOYSA-N 2 2 327.388 1.662 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000653116301 453302747 /nfs/dbraw/zinc/30/27/47/453302747.db2.gz BEUBDQOOZWGSJX-AWEZNQCLSA-N 2 2 347.488 1.533 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000653121071 453310945 /nfs/dbraw/zinc/31/09/45/453310945.db2.gz MRPYYRVSXWCFIO-DZGCQCFKSA-N 2 2 338.427 1.634 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000664693598 453325544 /nfs/dbraw/zinc/32/55/44/453325544.db2.gz FSPSYGVDVVEFDP-SJLPKXTDSA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000664693598 453325552 /nfs/dbraw/zinc/32/55/52/453325552.db2.gz FSPSYGVDVVEFDP-SJLPKXTDSA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000653154623 453344765 /nfs/dbraw/zinc/34/47/65/453344765.db2.gz XCLNWSMIEBPXKL-MSOLQXFVSA-N 3 2 332.492 1.388 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653154623 453344772 /nfs/dbraw/zinc/34/47/72/453344772.db2.gz XCLNWSMIEBPXKL-MSOLQXFVSA-N 3 2 332.492 1.388 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000648869623 453345157 /nfs/dbraw/zinc/34/51/57/453345157.db2.gz ZTJQNELYKRKHNC-LSDHHAIUSA-N 2 2 344.463 1.645 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H](C)CO1 ZINC000664760700 453385407 /nfs/dbraw/zinc/38/54/07/453385407.db2.gz ZLYWDJPDGXMWEO-UXLLHSPISA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H](C)CO1 ZINC000664760700 453385424 /nfs/dbraw/zinc/38/54/24/453385424.db2.gz ZLYWDJPDGXMWEO-UXLLHSPISA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H](C)CO1 ZINC000664760700 453385436 /nfs/dbraw/zinc/38/54/36/453385436.db2.gz ZLYWDJPDGXMWEO-UXLLHSPISA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@@H](C)CO1 ZINC000664760700 453385449 /nfs/dbraw/zinc/38/54/49/453385449.db2.gz ZLYWDJPDGXMWEO-UXLLHSPISA-N 2 2 338.496 1.412 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)C1([NH2+]C2CC2)CCC1 ZINC000662675809 453394174 /nfs/dbraw/zinc/39/41/74/453394174.db2.gz SJXADYZXARFPOT-UHFFFAOYSA-N 2 2 330.432 1.209 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])c[nH+]2)CC1 ZINC000662676508 453394736 /nfs/dbraw/zinc/39/47/36/453394736.db2.gz XRCVZTPCTCOJFH-JKSUJKDBSA-N 2 2 332.448 1.298 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662686560 453407180 /nfs/dbraw/zinc/40/71/80/453407180.db2.gz PACOTIGPLDGVRU-UHFFFAOYSA-N 2 2 332.448 1.597 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCO1 ZINC000662700805 453422147 /nfs/dbraw/zinc/42/21/47/453422147.db2.gz KURQDARAKXFSFK-WMLDXEAASA-N 2 2 331.460 1.516 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCO1 ZINC000662700805 453422156 /nfs/dbraw/zinc/42/21/56/453422156.db2.gz KURQDARAKXFSFK-WMLDXEAASA-N 2 2 331.460 1.516 20 0 EDADLP C[C@@H](CC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000662702987 453426829 /nfs/dbraw/zinc/42/68/29/453426829.db2.gz FXAVIPISEHWBAY-FUHWJXTLSA-N 2 2 337.508 1.583 20 0 EDADLP [NH3+][C@H]1C[C@H](C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)C1 ZINC000662711130 453433715 /nfs/dbraw/zinc/43/37/15/453433715.db2.gz LFSQWGTZSSBWHM-HDJSIYSDSA-N 2 2 338.415 1.999 20 0 EDADLP CN1CC[NH+]([C@H](C(=O)N2CCC(CC[NH3+])CC2)c2ccccc2)CC1 ZINC000653256589 453439687 /nfs/dbraw/zinc/43/96/87/453439687.db2.gz FDKZPIFOQOJAFK-IBGZPJMESA-N 2 2 344.503 1.563 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000653261385 453444797 /nfs/dbraw/zinc/44/47/97/453444797.db2.gz QUQYXIKLASNCPP-OAGGEKHMSA-N 2 2 328.416 1.835 20 0 EDADLP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000656791702 453446910 /nfs/dbraw/zinc/44/69/10/453446910.db2.gz LBGRBVIXVKCYNB-FQEVSTJZSA-N 2 2 344.503 1.642 20 0 EDADLP Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000656791702 453446924 /nfs/dbraw/zinc/44/69/24/453446924.db2.gz LBGRBVIXVKCYNB-FQEVSTJZSA-N 2 2 344.503 1.642 20 0 EDADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CCCC1 ZINC000656789683 453448154 /nfs/dbraw/zinc/44/81/54/453448154.db2.gz VGPAXOBOYQJAAY-UHFFFAOYSA-N 2 2 331.460 1.953 20 0 EDADLP CCOc1nc(NCC[NH+]2CCC([NH+](C)C)CC2)ncc1Cl ZINC000651324881 453470829 /nfs/dbraw/zinc/47/08/29/453470829.db2.gz SILUBCJTTQHRNR-UHFFFAOYSA-N 2 2 327.860 1.389 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651332964 453477796 /nfs/dbraw/zinc/47/77/96/453477796.db2.gz RHDYEMBPDZRQCA-UHFFFAOYSA-N 3 2 347.507 1.246 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651332964 453477807 /nfs/dbraw/zinc/47/78/07/453477807.db2.gz RHDYEMBPDZRQCA-UHFFFAOYSA-N 3 2 347.507 1.246 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662748149 453477994 /nfs/dbraw/zinc/47/79/94/453477994.db2.gz MTYFRMGZLYKIAT-GOSISDBHSA-N 3 2 330.476 1.363 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000664935317 453499416 /nfs/dbraw/zinc/49/94/16/453499416.db2.gz YINIVTSBKOCFBZ-OWCLPIDISA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000664935317 453499423 /nfs/dbraw/zinc/49/94/23/453499423.db2.gz YINIVTSBKOCFBZ-OWCLPIDISA-N 2 2 328.501 1.515 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664935317 453499427 /nfs/dbraw/zinc/49/94/27/453499427.db2.gz YINIVTSBKOCFBZ-OWCLPIDISA-N 2 2 328.501 1.515 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664935317 453499432 /nfs/dbraw/zinc/49/94/32/453499432.db2.gz YINIVTSBKOCFBZ-OWCLPIDISA-N 2 2 328.501 1.515 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3c(cnn3C(F)F)c2)[C@@H](C[NH3+])C1 ZINC000667254044 453515438 /nfs/dbraw/zinc/51/54/38/453515438.db2.gz MUDMCJPOKNPEGT-LBPRGKRZSA-N 2 2 338.362 1.538 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(cnn3C(F)F)c2)[C@@H](C[NH3+])C1 ZINC000667254044 453515442 /nfs/dbraw/zinc/51/54/42/453515442.db2.gz MUDMCJPOKNPEGT-LBPRGKRZSA-N 2 2 338.362 1.538 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662831687 453557306 /nfs/dbraw/zinc/55/73/06/453557306.db2.gz GNZYZPSABXKWAA-GOSISDBHSA-N 2 2 347.459 1.028 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900555 453593410 /nfs/dbraw/zinc/59/34/10/453593410.db2.gz NKGOMTJYXNTFKG-GBESFXJTSA-N 3 2 348.535 1.249 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900555 453593413 /nfs/dbraw/zinc/59/34/13/453593413.db2.gz NKGOMTJYXNTFKG-GBESFXJTSA-N 3 2 348.535 1.249 20 0 EDADLP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899877 453593723 /nfs/dbraw/zinc/59/37/23/453593723.db2.gz HJMCPVLGCGUXQZ-RTBURBONSA-N 3 2 344.503 1.703 20 0 EDADLP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899877 453593726 /nfs/dbraw/zinc/59/37/26/453593726.db2.gz HJMCPVLGCGUXQZ-RTBURBONSA-N 3 2 344.503 1.703 20 0 EDADLP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900533 453594548 /nfs/dbraw/zinc/59/45/48/453594548.db2.gz NCKGAZIYTGDZTM-LJQANCHMSA-N 3 2 342.487 1.530 20 0 EDADLP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900533 453594550 /nfs/dbraw/zinc/59/45/50/453594550.db2.gz NCKGAZIYTGDZTM-LJQANCHMSA-N 3 2 342.487 1.530 20 0 EDADLP CCN(C(=O)NCCc1cn2c(cccc2C)[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000665216432 453611332 /nfs/dbraw/zinc/61/13/32/453611332.db2.gz BOLDQSOTFHWEOZ-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP CCN(C(=O)NCCc1cn2c(cccc2C)[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000665216432 453611334 /nfs/dbraw/zinc/61/13/34/453611334.db2.gz BOLDQSOTFHWEOZ-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660891038 453634556 /nfs/dbraw/zinc/63/45/56/453634556.db2.gz SZOQAQJFKPSELP-DLBZAZTESA-N 2 2 338.496 1.080 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660891038 453634559 /nfs/dbraw/zinc/63/45/59/453634559.db2.gz SZOQAQJFKPSELP-DLBZAZTESA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000665283949 453636114 /nfs/dbraw/zinc/63/61/14/453636114.db2.gz XPULWAHNHIYXOO-MISYRCLQSA-N 2 2 346.519 1.159 20 0 EDADLP COc1ccc(C)cc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657093300 453677112 /nfs/dbraw/zinc/67/71/12/453677112.db2.gz WIMRFIFUURDROO-UHFFFAOYSA-N 2 2 343.493 1.165 20 0 EDADLP COc1ccc(C)cc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657093300 453677115 /nfs/dbraw/zinc/67/71/15/453677115.db2.gz WIMRFIFUURDROO-UHFFFAOYSA-N 2 2 343.493 1.165 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000665456298 453698009 /nfs/dbraw/zinc/69/80/09/453698009.db2.gz UWYOMCUTERYZGP-UHFFFAOYSA-N 2 2 347.463 1.576 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000665456298 453698013 /nfs/dbraw/zinc/69/80/13/453698013.db2.gz UWYOMCUTERYZGP-UHFFFAOYSA-N 2 2 347.463 1.576 20 0 EDADLP c1[nH+]c2n(c1C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1)CCC2 ZINC000657296737 453759769 /nfs/dbraw/zinc/75/97/69/453759769.db2.gz AMBCMGHPCSAOBM-SFHVURJKSA-N 2 2 326.444 1.992 20 0 EDADLP CC(C)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N1CC[NH+](C)CC1 ZINC000657304485 453761500 /nfs/dbraw/zinc/76/15/00/453761500.db2.gz YTZZJQQDKGUYJH-LJQANCHMSA-N 3 2 342.491 1.629 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661226584 453766058 /nfs/dbraw/zinc/76/60/58/453766058.db2.gz CHLRKJBZWZJRRN-HNNXBMFYSA-N 2 2 334.420 1.143 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N1CC[NH+](CC2CC2)CC1 ZINC000665619837 453769535 /nfs/dbraw/zinc/76/95/35/453769535.db2.gz IJOBFTFIIWTUQK-UHFFFAOYSA-N 2 2 343.475 1.919 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000665689185 453789560 /nfs/dbraw/zinc/78/95/60/453789560.db2.gz YLNBVPIBHSWEKI-GJZGRUSLSA-N 2 2 333.480 1.970 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000665689185 453789562 /nfs/dbraw/zinc/78/95/62/453789562.db2.gz YLNBVPIBHSWEKI-GJZGRUSLSA-N 2 2 333.480 1.970 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000663425010 453794296 /nfs/dbraw/zinc/79/42/96/453794296.db2.gz NQTQVEIYPPWTIB-UHFFFAOYSA-N 3 2 341.544 1.434 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000663425010 453794299 /nfs/dbraw/zinc/79/42/99/453794299.db2.gz NQTQVEIYPPWTIB-UHFFFAOYSA-N 3 2 341.544 1.434 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000663439091 453798904 /nfs/dbraw/zinc/79/89/04/453798904.db2.gz MGVAURLZJZDDMP-UHFFFAOYSA-N 3 2 327.517 1.044 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000663439091 453798905 /nfs/dbraw/zinc/79/89/05/453798905.db2.gz MGVAURLZJZDDMP-UHFFFAOYSA-N 3 2 327.517 1.044 20 0 EDADLP Cc1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(N)n1 ZINC000676211992 486691417 /nfs/dbraw/zinc/69/14/17/486691417.db2.gz XVNUHNIDIDVGHS-UHFFFAOYSA-N 2 2 346.479 1.047 20 0 EDADLP C[C@@H]1COCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683380667 486701436 /nfs/dbraw/zinc/70/14/36/486701436.db2.gz MLYKDMPYGFJMNS-OIISXLGYSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1COCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683380667 486701440 /nfs/dbraw/zinc/70/14/40/486701440.db2.gz MLYKDMPYGFJMNS-OIISXLGYSA-N 2 2 338.496 1.221 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676258154 486712712 /nfs/dbraw/zinc/71/27/12/486712712.db2.gz CYAVMMGAQOFLHZ-XJKSGUPXSA-N 2 2 330.432 1.434 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676258154 486712716 /nfs/dbraw/zinc/71/27/16/486712716.db2.gz CYAVMMGAQOFLHZ-XJKSGUPXSA-N 2 2 330.432 1.434 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000680474690 486785412 /nfs/dbraw/zinc/78/54/12/486785412.db2.gz TYBGJPPWXNTJOB-MRXNPFEDSA-N 2 2 346.475 1.475 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000680474690 486785416 /nfs/dbraw/zinc/78/54/16/486785416.db2.gz TYBGJPPWXNTJOB-MRXNPFEDSA-N 2 2 346.475 1.475 20 0 EDADLP COC1(CO)CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000683678645 486787952 /nfs/dbraw/zinc/78/79/52/486787952.db2.gz ARAXDTONQHZNOG-MRXNPFEDSA-N 2 2 347.459 1.487 20 0 EDADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000683690652 486792920 /nfs/dbraw/zinc/79/29/20/486792920.db2.gz NTJLXRHHOBAIQG-XLIONFOSSA-N 2 2 344.503 1.930 20 0 EDADLP CCc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)nn1 ZINC000680536092 486803150 /nfs/dbraw/zinc/80/31/50/486803150.db2.gz DQDNKNITJBIAMJ-OAHLLOKOSA-N 2 2 331.464 1.246 20 0 EDADLP CCc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)nn1 ZINC000680536092 486803152 /nfs/dbraw/zinc/80/31/52/486803152.db2.gz DQDNKNITJBIAMJ-OAHLLOKOSA-N 2 2 331.464 1.246 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667501092 486811640 /nfs/dbraw/zinc/81/16/40/486811640.db2.gz MZJNHQHRLOAYFL-INIZCTEOSA-N 2 2 345.491 1.348 20 0 EDADLP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000680580018 486818831 /nfs/dbraw/zinc/81/88/31/486818831.db2.gz QRYVGVWQNMJQFR-SFHVURJKSA-N 2 2 345.491 1.329 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676706098 486847729 /nfs/dbraw/zinc/84/77/29/486847729.db2.gz CXJRFVNSHHMXLQ-MSOLQXFVSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676706098 486847734 /nfs/dbraw/zinc/84/77/34/486847734.db2.gz CXJRFVNSHHMXLQ-MSOLQXFVSA-N 2 2 335.492 1.717 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667564166 486849486 /nfs/dbraw/zinc/84/94/86/486849486.db2.gz CNGZJVBPUQAAQY-CALCHBBNSA-N 2 2 331.508 1.820 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667564166 486849491 /nfs/dbraw/zinc/84/94/91/486849491.db2.gz CNGZJVBPUQAAQY-CALCHBBNSA-N 2 2 331.508 1.820 20 0 EDADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000680814721 486859187 /nfs/dbraw/zinc/85/91/87/486859187.db2.gz BQMBEEPZJSKGQI-LJQANCHMSA-N 2 2 340.427 1.990 20 0 EDADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000680814721 486859193 /nfs/dbraw/zinc/85/91/93/486859193.db2.gz BQMBEEPZJSKGQI-LJQANCHMSA-N 2 2 340.427 1.990 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)ccc2[nH+]1 ZINC000667600624 486867806 /nfs/dbraw/zinc/86/78/06/486867806.db2.gz RWDYAEUZLKORAF-GOSISDBHSA-N 2 2 341.415 1.183 20 0 EDADLP CN(C(=O)c1cnc2n1CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676815747 486889214 /nfs/dbraw/zinc/88/92/14/486889214.db2.gz REZMWVHOLZRGKZ-MRXNPFEDSA-N 2 2 345.491 1.460 20 0 EDADLP CN(C(=O)c1cnc2n1CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676815747 486889220 /nfs/dbraw/zinc/88/92/20/486889220.db2.gz REZMWVHOLZRGKZ-MRXNPFEDSA-N 2 2 345.491 1.460 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000677054191 486965790 /nfs/dbraw/zinc/96/57/90/486965790.db2.gz QXHXVIAMWHOWEW-GDBMZVCRSA-N 2 2 331.464 1.690 20 0 EDADLP c1cc2n(n1)C[C@@H](C[N@@H+]1CC[C@H](n3c[nH+]c4c3CCCC4)C1)CN2 ZINC000684196647 486979357 /nfs/dbraw/zinc/97/93/57/486979357.db2.gz AZQHUIFOJRJLKA-CABCVRRESA-N 2 2 326.448 1.947 20 0 EDADLP c1cc2n(n1)C[C@@H](C[N@H+]1CC[C@H](n3c[nH+]c4c3CCCC4)C1)CN2 ZINC000684196647 486979361 /nfs/dbraw/zinc/97/93/61/486979361.db2.gz AZQHUIFOJRJLKA-CABCVRRESA-N 2 2 326.448 1.947 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000667816470 486980403 /nfs/dbraw/zinc/98/04/03/486980403.db2.gz UMMFXTJENKVGJQ-PKOBYXMFSA-N 2 2 345.487 1.703 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000667816470 486980408 /nfs/dbraw/zinc/98/04/08/486980408.db2.gz UMMFXTJENKVGJQ-PKOBYXMFSA-N 2 2 345.487 1.703 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000681310921 487010656 /nfs/dbraw/zinc/01/06/56/487010656.db2.gz SCKNUJOQFNPXCC-MRXNPFEDSA-N 2 2 342.443 1.668 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673513629 487033081 /nfs/dbraw/zinc/03/30/81/487033081.db2.gz MWBWQSVVEJHIHO-CABCVRRESA-N 2 2 342.443 1.266 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673513629 487033092 /nfs/dbraw/zinc/03/30/92/487033092.db2.gz MWBWQSVVEJHIHO-CABCVRRESA-N 2 2 342.443 1.266 20 0 EDADLP O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667989453 487049311 /nfs/dbraw/zinc/04/93/11/487049311.db2.gz MAPGSEFEUHSUFP-CQSZACIVSA-N 2 2 326.404 1.303 20 0 EDADLP O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667989453 487049318 /nfs/dbraw/zinc/04/93/18/487049318.db2.gz MAPGSEFEUHSUFP-CQSZACIVSA-N 2 2 326.404 1.303 20 0 EDADLP COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668075305 487090163 /nfs/dbraw/zinc/09/01/63/487090163.db2.gz OJEFHYYGTHWDBA-YJBOKZPZSA-N 2 2 346.431 1.113 20 0 EDADLP COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668075305 487090166 /nfs/dbraw/zinc/09/01/66/487090166.db2.gz OJEFHYYGTHWDBA-YJBOKZPZSA-N 2 2 346.431 1.113 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668154237 487121963 /nfs/dbraw/zinc/12/19/63/487121963.db2.gz JSHGXXXBVHWEJE-HNNXBMFYSA-N 2 2 331.420 1.875 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668154237 487121968 /nfs/dbraw/zinc/12/19/68/487121968.db2.gz JSHGXXXBVHWEJE-HNNXBMFYSA-N 2 2 331.420 1.875 20 0 EDADLP C(c1nnc2n1CCOC2)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000684768757 487158473 /nfs/dbraw/zinc/15/84/73/487158473.db2.gz PFTZBFSHMYDBMT-UHFFFAOYSA-N 2 2 333.480 1.896 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000673935559 487163292 /nfs/dbraw/zinc/16/32/92/487163292.db2.gz SVNXHRVHJGURET-UHFFFAOYSA-N 2 2 327.432 1.839 20 0 EDADLP CCCCNc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000672142493 487181110 /nfs/dbraw/zinc/18/11/10/487181110.db2.gz FISZXZLRUIVPNT-CQSZACIVSA-N 2 2 334.468 1.572 20 0 EDADLP CC(C)[C@@H](C(=O)NCC12CCC[NH+]1CCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000684849904 487177924 /nfs/dbraw/zinc/17/79/24/487177924.db2.gz SUHKSFUOZYDHLD-BBWFWOEESA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)[C@@H](C(=O)NCC12CCC[NH+]1CCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000684849904 487177929 /nfs/dbraw/zinc/17/79/29/487177929.db2.gz SUHKSFUOZYDHLD-BBWFWOEESA-N 2 2 337.508 1.865 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000674054369 487193379 /nfs/dbraw/zinc/19/33/79/487193379.db2.gz OJSPMTLENDKNLV-INIZCTEOSA-N 2 2 330.476 1.985 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000674054369 487193382 /nfs/dbraw/zinc/19/33/82/487193382.db2.gz OJSPMTLENDKNLV-INIZCTEOSA-N 2 2 330.476 1.985 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000685564688 487295999 /nfs/dbraw/zinc/29/59/99/487295999.db2.gz BVSDPOUHLAIOSF-CVEARBPZSA-N 2 2 346.393 1.958 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000685564688 487296001 /nfs/dbraw/zinc/29/60/01/487296001.db2.gz BVSDPOUHLAIOSF-CVEARBPZSA-N 2 2 346.393 1.958 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000685564691 487297383 /nfs/dbraw/zinc/29/73/83/487297383.db2.gz BVSDPOUHLAIOSF-JKSUJKDBSA-N 2 2 346.393 1.958 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000685564691 487297385 /nfs/dbraw/zinc/29/73/85/487297385.db2.gz BVSDPOUHLAIOSF-JKSUJKDBSA-N 2 2 346.393 1.958 20 0 EDADLP C[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000685581861 487298803 /nfs/dbraw/zinc/29/88/03/487298803.db2.gz XPXDRPDBPMGKND-JCGIZDLHSA-N 2 2 339.430 1.756 20 0 EDADLP C[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000685581861 487298804 /nfs/dbraw/zinc/29/88/04/487298804.db2.gz XPXDRPDBPMGKND-JCGIZDLHSA-N 2 2 339.430 1.756 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674721663 487305529 /nfs/dbraw/zinc/30/55/29/487305529.db2.gz FZELVDCORMQOPK-QAPCUYQASA-N 2 2 330.476 1.984 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674721663 487305533 /nfs/dbraw/zinc/30/55/33/487305533.db2.gz FZELVDCORMQOPK-QAPCUYQASA-N 2 2 330.476 1.984 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cc(F)ccc21 ZINC000685662168 487310912 /nfs/dbraw/zinc/31/09/12/487310912.db2.gz RKQPRGVUGRHPNR-WCQYABFASA-N 2 2 335.404 1.914 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2cc(F)ccc21 ZINC000685662168 487310915 /nfs/dbraw/zinc/31/09/15/487310915.db2.gz RKQPRGVUGRHPNR-WCQYABFASA-N 2 2 335.404 1.914 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CC1 ZINC000685909722 487342645 /nfs/dbraw/zinc/34/26/45/487342645.db2.gz PTDPCHAJYXBXBW-ZDUSSCGKSA-N 2 2 326.824 1.656 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CC1 ZINC000685909722 487342649 /nfs/dbraw/zinc/34/26/49/487342649.db2.gz PTDPCHAJYXBXBW-ZDUSSCGKSA-N 2 2 326.824 1.656 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000678767958 487361549 /nfs/dbraw/zinc/36/15/49/487361549.db2.gz ULWUJEYJPNEESV-HNNXBMFYSA-N 2 2 337.851 1.917 20 0 EDADLP C[C@@H](C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1)[NH+](C)C ZINC000678867920 487374122 /nfs/dbraw/zinc/37/41/22/487374122.db2.gz PVYVVCJHSPMNNF-HNNXBMFYSA-N 2 2 326.444 1.961 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1F ZINC000679294690 487410351 /nfs/dbraw/zinc/41/03/51/487410351.db2.gz HPHQKBQIKKOBBX-YCPHGPKFSA-N 2 2 326.460 1.544 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1F ZINC000679294690 487410352 /nfs/dbraw/zinc/41/03/52/487410352.db2.gz HPHQKBQIKKOBBX-YCPHGPKFSA-N 2 2 326.460 1.544 20 0 EDADLP CN(Cc1cccn1C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675482289 487412211 /nfs/dbraw/zinc/41/22/11/487412211.db2.gz PMDWGAYYPRBFSC-OAHLLOKOSA-N 2 2 333.480 1.335 20 0 EDADLP CN(Cc1cccn1C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675482289 487412214 /nfs/dbraw/zinc/41/22/14/487412214.db2.gz PMDWGAYYPRBFSC-OAHLLOKOSA-N 2 2 333.480 1.335 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC000679489535 487431113 /nfs/dbraw/zinc/43/11/13/487431113.db2.gz BNJBOYZOKLELKG-JYJNAYRXSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC000679489535 487431116 /nfs/dbraw/zinc/43/11/16/487431116.db2.gz BNJBOYZOKLELKG-JYJNAYRXSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccncc1 ZINC000675926719 487459545 /nfs/dbraw/zinc/45/95/45/487459545.db2.gz FGILEBGCEJAUGI-KRWDZBQOSA-N 2 2 332.492 1.571 20 0 EDADLP C[C@@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccncc1 ZINC000675926719 487459546 /nfs/dbraw/zinc/45/95/46/487459546.db2.gz FGILEBGCEJAUGI-KRWDZBQOSA-N 2 2 332.492 1.571 20 0 EDADLP COc1ccccc1[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000679827578 487466560 /nfs/dbraw/zinc/46/65/60/487466560.db2.gz RSZJEWGSDMCJQZ-HKUYNNGSSA-N 2 2 344.455 1.811 20 0 EDADLP COc1ccccc1[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000679827578 487466561 /nfs/dbraw/zinc/46/65/61/487466561.db2.gz RSZJEWGSDMCJQZ-HKUYNNGSSA-N 2 2 344.455 1.811 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)[nH+]c12 ZINC000669512042 485476435 /nfs/dbraw/zinc/47/64/35/485476435.db2.gz SRMBWUYACDZVDQ-GJZGRUSLSA-N 2 2 329.448 1.954 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000670545513 485531898 /nfs/dbraw/zinc/53/18/98/485531898.db2.gz DEGVJYLRUHXRPJ-MRXNPFEDSA-N 2 2 347.463 1.036 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)Cc2ccccc2C1 ZINC000669146119 485736975 /nfs/dbraw/zinc/73/69/75/485736975.db2.gz POKUUFCZEQMYME-AWEZNQCLSA-N 2 2 338.455 1.730 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)Cc2ccccc2C1 ZINC000669146119 485736984 /nfs/dbraw/zinc/73/69/84/485736984.db2.gz POKUUFCZEQMYME-AWEZNQCLSA-N 2 2 338.455 1.730 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCCC[NH2+]3)c[nH+]2)CCO1 ZINC000669162349 485756834 /nfs/dbraw/zinc/75/68/34/485756834.db2.gz YZBFOXKDQQPHAX-ZBFHGGJFSA-N 2 2 347.463 1.248 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@H+](CC)[C@H](C)C1)[NH+]1CCOCC1 ZINC000677173294 485910954 /nfs/dbraw/zinc/91/09/54/485910954.db2.gz LCLMMNLDZZRQQQ-WBVHZDCISA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](CC)[C@H](C)C1)[NH+]1CCOCC1 ZINC000677173294 485910957 /nfs/dbraw/zinc/91/09/57/485910957.db2.gz LCLMMNLDZZRQQQ-WBVHZDCISA-N 2 2 325.497 1.676 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000669276748 485916139 /nfs/dbraw/zinc/91/61/39/485916139.db2.gz YZUGTXLLVKSXDM-GOSISDBHSA-N 2 2 348.491 1.667 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[NH+]2CCOCC2)cc1 ZINC000237622911 485994696 /nfs/dbraw/zinc/99/46/96/485994696.db2.gz VPNALFQBPUVDRT-SQNIBIBYSA-N 2 2 331.460 1.612 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000269672379 486053568 /nfs/dbraw/zinc/05/35/68/486053568.db2.gz ZEDQFKMMNFXQGG-UHFFFAOYSA-N 2 2 349.479 1.400 20 0 EDADLP [NH3+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000668745378 486120510 /nfs/dbraw/zinc/12/05/10/486120510.db2.gz VVRVRVQSQYZFFF-MRXNPFEDSA-N 2 2 346.475 1.399 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)cc2[nH+]1 ZINC000668161077 486181597 /nfs/dbraw/zinc/18/15/97/486181597.db2.gz QHTHVXCLQXAFMM-AWEZNQCLSA-N 2 2 345.447 1.952 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)cc2[nH+]1 ZINC000668161077 486181604 /nfs/dbraw/zinc/18/16/04/486181604.db2.gz QHTHVXCLQXAFMM-AWEZNQCLSA-N 2 2 345.447 1.952 20 0 EDADLP CN(C)C(=O)c1ccccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668791968 486202791 /nfs/dbraw/zinc/20/27/91/486202791.db2.gz FMHCJPGHEKSNSW-UHFFFAOYSA-N 2 2 327.432 1.444 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[NH2+]C[C@@](C)(F)C3)[nH+]c12 ZINC000669511767 486295095 /nfs/dbraw/zinc/29/50/95/486295095.db2.gz FQCIOMHTEXQPHV-QGZVFWFLSA-N 2 2 333.411 1.528 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131466698 491212954 /nfs/dbraw/zinc/21/29/54/491212954.db2.gz VWKWAJRQTZGVLP-IBGZPJMESA-N 3 2 335.492 1.563 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000314893738 491247269 /nfs/dbraw/zinc/24/72/69/491247269.db2.gz GKGGMPYDMVWEGE-HIFRSBDPSA-N 2 2 325.478 1.682 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000314893738 491247272 /nfs/dbraw/zinc/24/72/72/491247272.db2.gz GKGGMPYDMVWEGE-HIFRSBDPSA-N 2 2 325.478 1.682 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000120604910 490997856 /nfs/dbraw/zinc/99/78/56/490997856.db2.gz PMWOOOHAKOPPJN-AWEZNQCLSA-N 2 2 343.435 1.240 20 0 EDADLP CNc1nc(NC2CC[NH+](CCOC(C)C)CC2)[nH+]c2ccccc21 ZINC000450366582 491013889 /nfs/dbraw/zinc/01/38/89/491013889.db2.gz UCHULNYWXADALS-UHFFFAOYSA-N 2 2 343.475 1.817 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)N[C@H](C)C[NH+](C)C)C1CCOCC1 ZINC000356611342 500758957 /nfs/dbraw/zinc/75/89/57/500758957.db2.gz OTXUNOVUDGXOQG-HIFRSBDPSA-N 2 2 337.468 1.620 20 0 EDADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000165059343 534138156 /nfs/dbraw/zinc/13/81/56/534138156.db2.gz MKZAWBJFISSBJT-WWGRRREGSA-N 2 2 337.851 1.268 20 0 EDADLP NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174239476 534421108 /nfs/dbraw/zinc/42/11/08/534421108.db2.gz FYMCCMZEYATGSS-GOSISDBHSA-N 2 2 349.450 1.929 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246424627 534758300 /nfs/dbraw/zinc/75/83/00/534758300.db2.gz UGQOWNMDSUVXLA-HIFRSBDPSA-N 2 2 332.448 1.856 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246424627 534758304 /nfs/dbraw/zinc/75/83/04/534758304.db2.gz UGQOWNMDSUVXLA-HIFRSBDPSA-N 2 2 332.448 1.856 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000176904017 527716877 /nfs/dbraw/zinc/71/68/77/527716877.db2.gz PJACPPXTQMBFNI-KRWDZBQOSA-N 2 2 330.432 1.959 20 0 EDADLP CC[N@H+](C)CC[NH2+][C@@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000158224018 527800684 /nfs/dbraw/zinc/80/06/84/527800684.db2.gz WDCGHAOYUUIRHF-LSDHHAIUSA-N 2 2 329.485 1.942 20 0 EDADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000158224018 527800688 /nfs/dbraw/zinc/80/06/88/527800688.db2.gz WDCGHAOYUUIRHF-LSDHHAIUSA-N 2 2 329.485 1.942 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000159147641 527881460 /nfs/dbraw/zinc/88/14/60/527881460.db2.gz RVHCJSXMPSJATJ-AEFFLSMTSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000159147641 527881465 /nfs/dbraw/zinc/88/14/65/527881465.db2.gz RVHCJSXMPSJATJ-AEFFLSMTSA-N 3 2 331.508 1.653 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000171529798 529151523 /nfs/dbraw/zinc/15/15/23/529151523.db2.gz FGSHMZPNAWNLQN-CQSZACIVSA-N 2 2 331.420 1.541 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000171529798 529151524 /nfs/dbraw/zinc/15/15/24/529151524.db2.gz FGSHMZPNAWNLQN-CQSZACIVSA-N 2 2 331.420 1.541 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C)cc1 ZINC000181038882 529206971 /nfs/dbraw/zinc/20/69/71/529206971.db2.gz VVBGJZDJJNWLSN-RBUKOAKNSA-N 2 2 345.487 1.969 20 0 EDADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332290057 535006327 /nfs/dbraw/zinc/00/63/27/535006327.db2.gz JBMPSHDHXSIAON-ZIAGYGMSSA-N 2 2 337.468 1.254 20 0 EDADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332290057 535006334 /nfs/dbraw/zinc/00/63/34/535006334.db2.gz JBMPSHDHXSIAON-ZIAGYGMSSA-N 2 2 337.468 1.254 20 0 EDADLP CC1CCC(NC(=O)CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000346823753 535265226 /nfs/dbraw/zinc/26/52/26/535265226.db2.gz FUSNEHSMQADCKY-ADKAHSJRSA-N 2 2 336.524 1.299 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000261641965 535298088 /nfs/dbraw/zinc/29/80/88/535298088.db2.gz IKKJSZXGWLDLKA-MRXNPFEDSA-N 2 2 332.448 1.313 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000354401627 535361231 /nfs/dbraw/zinc/36/12/31/535361231.db2.gz OEZVEBGLIAWANY-HUUCEWRRSA-N 2 2 327.469 1.249 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000068028896 535493982 /nfs/dbraw/zinc/49/39/82/535493982.db2.gz WWTMRFIOUJFOIS-QGZVFWFLSA-N 2 2 330.432 1.976 20 0 EDADLP CC[NH+](CC)CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000047578322 535535876 /nfs/dbraw/zinc/53/58/76/535535876.db2.gz KQBQMFCPOGXYCQ-HNNXBMFYSA-N 2 2 349.479 1.448 20 0 EDADLP CCOC(=O)C1(O)CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346222459 535588363 /nfs/dbraw/zinc/58/83/63/535588363.db2.gz ORQUZZZTXKXAGH-UHFFFAOYSA-N 2 2 344.415 1.466 20 0 EDADLP CC[NH+]1CCN(CC2(CN3CC[N@@H+](CC)C[C@@H]3C)COC2)[C@H](C)C1 ZINC000352665126 535674491 /nfs/dbraw/zinc/67/44/91/535674491.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CC[NH+]1CCN(CC2(CN3CC[N@H+](CC)C[C@@H]3C)COC2)[C@H](C)C1 ZINC000352665126 535674497 /nfs/dbraw/zinc/67/44/97/535674497.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CC[NH+]1CCN(CC2(CN3CC[N@H+](CC)C[C@H]3C)COC2)[C@@H](C)C1 ZINC000352665126 535674501 /nfs/dbraw/zinc/67/45/01/535674501.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CC[NH+]1CCN(CC2(CN3CC[N@@H+](CC)C[C@H]3C)COC2)[C@@H](C)C1 ZINC000352665126 535674505 /nfs/dbraw/zinc/67/45/05/535674505.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[N@H+](CC2(CN3CC[NH+](CC)C[C@H]3C)COC2)[C@@H](C)C1 ZINC000352665126 535674511 /nfs/dbraw/zinc/67/45/11/535674511.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[N@@H+](CC2(CN3CC[NH+](CC)C[C@H]3C)COC2)[C@@H](C)C1 ZINC000352665126 535674514 /nfs/dbraw/zinc/67/45/14/535674514.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[NH+](CC2(CN3CC[N@H+](CC)C[C@H]3C)COC2)[C@@H](C)C1 ZINC000352665126 535674517 /nfs/dbraw/zinc/67/45/17/535674517.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[NH+](CC2(CN3CC[N@@H+](CC)C[C@H]3C)COC2)[C@@H](C)C1 ZINC000352665126 535674521 /nfs/dbraw/zinc/67/45/21/535674521.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[N@H+](CC2(CN3CC[NH+](CC)C[C@@H]3C)COC2)[C@H](C)C1 ZINC000352665126 535674525 /nfs/dbraw/zinc/67/45/25/535674525.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[N@@H+](CC2(CN3CC[NH+](CC)C[C@@H]3C)COC2)[C@H](C)C1 ZINC000352665126 535674527 /nfs/dbraw/zinc/67/45/27/535674527.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[NH+](CC2(CN3CC[N@H+](CC)C[C@@H]3C)COC2)[C@H](C)C1 ZINC000352665126 535674533 /nfs/dbraw/zinc/67/45/33/535674533.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[NH+](CC2(CN3CC[N@@H+](CC)C[C@@H]3C)COC2)[C@H](C)C1 ZINC000352665126 535674535 /nfs/dbraw/zinc/67/45/35/535674535.db2.gz DTGWQKCPLVETBH-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)nc1 ZINC000346333057 535690532 /nfs/dbraw/zinc/69/05/32/535690532.db2.gz PEYZYBLLKOBTBQ-CXAGYDPISA-N 2 2 344.459 1.519 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)C2)nc1 ZINC000346333057 535690535 /nfs/dbraw/zinc/69/05/35/535690535.db2.gz PEYZYBLLKOBTBQ-CXAGYDPISA-N 2 2 344.459 1.519 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000262720456 535758679 /nfs/dbraw/zinc/75/86/79/535758679.db2.gz ZEUDYINVNDJRNM-LPHOPBHVSA-N 2 2 349.475 1.088 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@@H]1O ZINC000270492094 535844148 /nfs/dbraw/zinc/84/41/48/535844148.db2.gz ATTHYKHKFAKBHO-MOPGFXCFSA-N 2 2 345.487 1.342 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@@H]1O ZINC000270492094 535844154 /nfs/dbraw/zinc/84/41/54/535844154.db2.gz ATTHYKHKFAKBHO-MOPGFXCFSA-N 2 2 345.487 1.342 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000353299137 535929866 /nfs/dbraw/zinc/92/98/66/535929866.db2.gz MHLZFTUCJXTMSS-IAGOWNOFSA-N 2 2 332.448 1.337 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000353299137 535929871 /nfs/dbraw/zinc/92/98/71/535929871.db2.gz MHLZFTUCJXTMSS-IAGOWNOFSA-N 2 2 332.448 1.337 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000345251452 536053332 /nfs/dbraw/zinc/05/33/32/536053332.db2.gz FCBZNVRWUOWVME-CALCHBBNSA-N 2 2 347.507 1.810 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000345251452 536053337 /nfs/dbraw/zinc/05/33/37/536053337.db2.gz FCBZNVRWUOWVME-CALCHBBNSA-N 2 2 347.507 1.810 20 0 EDADLP CCn1cc(C[NH+]2CCCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000345251452 536053343 /nfs/dbraw/zinc/05/33/43/536053343.db2.gz FCBZNVRWUOWVME-CALCHBBNSA-N 2 2 347.507 1.810 20 0 EDADLP CCn1cc(C[NH+]2CCCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000345251452 536053346 /nfs/dbraw/zinc/05/33/46/536053346.db2.gz FCBZNVRWUOWVME-CALCHBBNSA-N 2 2 347.507 1.810 20 0 EDADLP Cn1ccnc1[C@@H]1OCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352731964 536058601 /nfs/dbraw/zinc/05/86/01/536058601.db2.gz LPDHGSKUIKIKNA-DZGCQCFKSA-N 2 2 335.477 1.948 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)C1CCOCC1 ZINC000333591346 536124675 /nfs/dbraw/zinc/12/46/75/536124675.db2.gz BAMVOZIQSKELEW-IJEWVQPXSA-N 2 2 349.479 1.763 20 0 EDADLP COc1cccc(CC(=O)N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000262125409 537100012 /nfs/dbraw/zinc/10/00/12/537100012.db2.gz XRTJBXAXGFFLCU-IBGZPJMESA-N 2 2 331.460 1.382 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000743980080 579496526 /nfs/dbraw/zinc/49/65/26/579496526.db2.gz KBNMZWXPTAODEQ-AWEZNQCLSA-N 2 2 341.415 1.411 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000743980080 579496527 /nfs/dbraw/zinc/49/65/27/579496527.db2.gz KBNMZWXPTAODEQ-AWEZNQCLSA-N 2 2 341.415 1.411 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+](C)Cc2ccccc2)CCO1 ZINC000726257306 578339617 /nfs/dbraw/zinc/33/96/17/578339617.db2.gz OGDNGVRYUWPROP-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)Cc2ccccc2)CCO1 ZINC000726257306 578339618 /nfs/dbraw/zinc/33/96/18/578339618.db2.gz OGDNGVRYUWPROP-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000726257306 578339619 /nfs/dbraw/zinc/33/96/19/578339619.db2.gz OGDNGVRYUWPROP-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000726257306 578339620 /nfs/dbraw/zinc/33/96/20/578339620.db2.gz OGDNGVRYUWPROP-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000729433018 578575050 /nfs/dbraw/zinc/57/50/50/578575050.db2.gz QNTQOGKQADUHGH-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000729590856 578583139 /nfs/dbraw/zinc/58/31/39/578583139.db2.gz AXACQGUDJDAXRN-MRXNPFEDSA-N 2 2 348.491 1.610 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NCCNc2cc[nH+]cc2)c1C ZINC000729606366 578584418 /nfs/dbraw/zinc/58/44/18/578584418.db2.gz QPFYBKUQXYYRBN-UHFFFAOYSA-N 2 2 329.404 1.435 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000732888382 578734066 /nfs/dbraw/zinc/73/40/66/578734066.db2.gz VKUVFHYKEWNZNC-UHFFFAOYSA-N 2 2 346.460 1.115 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)NC4(CCCCCC4)C3=O)C2)CC1 ZINC000761301986 580054378 /nfs/dbraw/zinc/05/43/78/580054378.db2.gz JPMSVIBEYIYRMG-MRXNPFEDSA-N 2 2 348.491 1.800 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)NC4(CCCCCC4)C3=O)C2)CC1 ZINC000761301986 580054379 /nfs/dbraw/zinc/05/43/79/580054379.db2.gz JPMSVIBEYIYRMG-MRXNPFEDSA-N 2 2 348.491 1.800 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943776 579568057 /nfs/dbraw/zinc/56/80/57/579568057.db2.gz KAGZGWRTTRCJOZ-CABCVRRESA-N 2 2 327.469 1.384 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943776 579568058 /nfs/dbraw/zinc/56/80/58/579568058.db2.gz KAGZGWRTTRCJOZ-CABCVRRESA-N 2 2 327.469 1.384 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000746450686 579594717 /nfs/dbraw/zinc/59/47/17/579594717.db2.gz NJBUPCMWQYTXDX-UHFFFAOYSA-N 2 2 342.378 1.931 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)N3CCO[C@@H](C)C3)C2)CC1 ZINC000748435594 579686289 /nfs/dbraw/zinc/68/62/89/579686289.db2.gz IHOFXVLWQPGOOX-ZWKOTPCHSA-N 2 2 337.508 1.678 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)N3CCO[C@@H](C)C3)C2)CC1 ZINC000748435594 579686290 /nfs/dbraw/zinc/68/62/90/579686290.db2.gz IHOFXVLWQPGOOX-ZWKOTPCHSA-N 2 2 337.508 1.678 20 0 EDADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(N)n3)CC2)n1 ZINC000750030952 579749119 /nfs/dbraw/zinc/74/91/19/579749119.db2.gz INPZXWOLDRCWFA-LBPRGKRZSA-N 2 2 347.423 1.170 20 0 EDADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc(C)[nH+]c(N)n3)CC2)n1 ZINC000750030952 579749120 /nfs/dbraw/zinc/74/91/20/579749120.db2.gz INPZXWOLDRCWFA-LBPRGKRZSA-N 2 2 347.423 1.170 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC(c3ccncc3)CC2)C1 ZINC000762096479 580066699 /nfs/dbraw/zinc/06/66/99/580066699.db2.gz INBBAYLCLIGSHS-QGZVFWFLSA-N 2 2 339.443 1.968 20 0 EDADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nn2)CCCO1 ZINC000762479700 580075264 /nfs/dbraw/zinc/07/52/64/580075264.db2.gz IRBFXMXDMLHGBX-INIZCTEOSA-N 2 2 329.448 1.858 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nn2)CCCO1 ZINC000762479700 580075265 /nfs/dbraw/zinc/07/52/65/580075265.db2.gz IRBFXMXDMLHGBX-INIZCTEOSA-N 2 2 329.448 1.858 20 0 EDADLP CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000763341875 580098172 /nfs/dbraw/zinc/09/81/72/580098172.db2.gz VIRVBKBJWHJEST-KURKYZTESA-N 2 2 336.524 1.550 20 0 EDADLP CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000763341875 580098173 /nfs/dbraw/zinc/09/81/73/580098173.db2.gz VIRVBKBJWHJEST-KURKYZTESA-N 2 2 336.524 1.550 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000765350746 580140342 /nfs/dbraw/zinc/14/03/42/580140342.db2.gz SMIXPKZYXZOEGB-HZPDHXFCSA-N 2 2 341.459 1.432 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000765702652 580149292 /nfs/dbraw/zinc/14/92/92/580149292.db2.gz DTLVICQYHXVZHA-FGTMMUONSA-N 2 2 328.460 1.771 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000765702652 580149293 /nfs/dbraw/zinc/14/92/93/580149293.db2.gz DTLVICQYHXVZHA-FGTMMUONSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000765702652 580149294 /nfs/dbraw/zinc/14/92/94/580149294.db2.gz DTLVICQYHXVZHA-FGTMMUONSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000765702652 580149295 /nfs/dbraw/zinc/14/92/95/580149295.db2.gz DTLVICQYHXVZHA-FGTMMUONSA-N 2 2 328.460 1.771 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccc(OCC(N)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000767434975 580189680 /nfs/dbraw/zinc/18/96/80/580189680.db2.gz SBBFYHDDOWMCBV-RHSMWYFYSA-N 2 2 328.416 1.830 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(N)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000767434975 580189681 /nfs/dbraw/zinc/18/96/81/580189681.db2.gz SBBFYHDDOWMCBV-RHSMWYFYSA-N 2 2 328.416 1.830 20 0 EDADLP CC(C)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H](O)COc1ccccc1 ZINC000770041219 580251704 /nfs/dbraw/zinc/25/17/04/580251704.db2.gz KJDWVAPCCSNWGO-MSOLQXFVSA-N 2 2 336.476 1.593 20 0 EDADLP CC(C)[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H](O)COc1ccccc1 ZINC000770041219 580251705 /nfs/dbraw/zinc/25/17/05/580251705.db2.gz KJDWVAPCCSNWGO-MSOLQXFVSA-N 2 2 336.476 1.593 20 0 EDADLP CC[N@H+](CCC1CC[NH+](Cn2cc(C(=O)OC)nn2)CC1)CC1CC1 ZINC000770683280 580267624 /nfs/dbraw/zinc/26/76/24/580267624.db2.gz AIJSCEICYLWMJI-UHFFFAOYSA-N 2 2 349.479 1.856 20 0 EDADLP CC[N@@H+](CCC1CC[NH+](Cn2cc(C(=O)OC)nn2)CC1)CC1CC1 ZINC000770683280 580267625 /nfs/dbraw/zinc/26/76/25/580267625.db2.gz AIJSCEICYLWMJI-UHFFFAOYSA-N 2 2 349.479 1.856 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000773139279 580328071 /nfs/dbraw/zinc/32/80/71/580328071.db2.gz TZSJGFWYSOWMSI-IJEWVQPXSA-N 2 2 343.562 1.508 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000774241335 580357482 /nfs/dbraw/zinc/35/74/82/580357482.db2.gz URFZGMXHKBUGIW-MRXNPFEDSA-N 2 2 341.459 1.415 20 0 EDADLP COC(=O)C[C@H]1CCCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783978671 580609869 /nfs/dbraw/zinc/60/98/69/580609869.db2.gz YMZPEZNJQWBZSJ-UONOGXRCSA-N 2 2 334.420 1.111 20 0 EDADLP COC(=O)C[C@H]1CCCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783978671 580609870 /nfs/dbraw/zinc/60/98/70/580609870.db2.gz YMZPEZNJQWBZSJ-UONOGXRCSA-N 2 2 334.420 1.111 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000783995561 580611177 /nfs/dbraw/zinc/61/11/77/580611177.db2.gz KRVISRZSNNTYNE-SJORKVTESA-N 2 2 345.491 1.501 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2cc[nH+]c(N)c2)CC1=O ZINC000792201898 580813348 /nfs/dbraw/zinc/81/33/48/580813348.db2.gz ABWIROKHIWFDSA-LSDHHAIUSA-N 2 2 346.431 1.040 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2cc[nH+]c(N)c2)CC1=O ZINC000792201898 580813349 /nfs/dbraw/zinc/81/33/49/580813349.db2.gz ABWIROKHIWFDSA-LSDHHAIUSA-N 2 2 346.431 1.040 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[NH+]1CCCCC1 ZINC000793719392 580853548 /nfs/dbraw/zinc/85/35/48/580853548.db2.gz DQLPUENKMLCTJY-CABCVRRESA-N 2 2 347.463 1.454 20 0 EDADLP Cc1ncc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000795214259 580916055 /nfs/dbraw/zinc/91/60/55/580916055.db2.gz XXQOYONZUSVHBW-KRWDZBQOSA-N 2 2 341.415 1.684 20 0 EDADLP Cc1ncc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000795214259 580916056 /nfs/dbraw/zinc/91/60/56/580916056.db2.gz XXQOYONZUSVHBW-KRWDZBQOSA-N 2 2 341.415 1.684 20 0 EDADLP COC(=O)C[C@@](C)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000796498415 580955092 /nfs/dbraw/zinc/95/50/92/580955092.db2.gz DIKYNNFLDUWZQQ-FUHWJXTLSA-N 2 2 338.423 1.650 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000796708849 580960199 /nfs/dbraw/zinc/96/01/99/580960199.db2.gz SMFQYOJHRYZVGF-HZPDHXFCSA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000796708849 580960200 /nfs/dbraw/zinc/96/02/00/580960200.db2.gz SMFQYOJHRYZVGF-HZPDHXFCSA-N 2 2 327.469 1.432 20 0 EDADLP Cn1ncc2c1nc(C[N@@H+]1CCCC3(CC[NH+](C)CC3)C1)[nH]c2=O ZINC000799178877 581021426 /nfs/dbraw/zinc/02/14/26/581021426.db2.gz OOSLLLMJXOKJCE-UHFFFAOYSA-N 2 2 330.436 1.377 20 0 EDADLP Cn1ncc2c1nc(C[N@H+]1CCCC3(CC[NH+](C)CC3)C1)[nH]c2=O ZINC000799178877 581021427 /nfs/dbraw/zinc/02/14/27/581021427.db2.gz OOSLLLMJXOKJCE-UHFFFAOYSA-N 2 2 330.436 1.377 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000891895244 590676801 /nfs/dbraw/zinc/67/68/01/590676801.db2.gz FIBXFFQXFXDEPQ-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP CCO[C@@H]1C[C@@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)[C@H]1OC ZINC000893208385 590709579 /nfs/dbraw/zinc/70/95/79/590709579.db2.gz QLUBDGKMSCICFN-YFHUEUNASA-N 2 2 334.464 1.826 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000892017017 590748875 /nfs/dbraw/zinc/74/88/75/590748875.db2.gz PEIAPZOXMAGZBR-ROUUACIJSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000892017017 590748878 /nfs/dbraw/zinc/74/88/78/590748878.db2.gz PEIAPZOXMAGZBR-ROUUACIJSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C3CC3)C2)c1 ZINC000892048354 590771307 /nfs/dbraw/zinc/77/13/07/590771307.db2.gz JREVNRXXANEGBG-QZTJIDSGSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C3CC3)C2)c1 ZINC000892048354 590771310 /nfs/dbraw/zinc/77/13/10/590771310.db2.gz JREVNRXXANEGBG-QZTJIDSGSA-N 2 2 346.475 1.232 20 0 EDADLP C[C@@H](C(=O)N1CCN(C)CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000888992201 590796013 /nfs/dbraw/zinc/79/60/13/590796013.db2.gz AIOVUXHUUOVTKS-KRWDZBQOSA-N 2 2 344.503 1.139 20 0 EDADLP C[C@@H](C(=O)N1CCN(C)CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000888992201 590796016 /nfs/dbraw/zinc/79/60/16/590796016.db2.gz AIOVUXHUUOVTKS-KRWDZBQOSA-N 2 2 344.503 1.139 20 0 EDADLP C[C@@H](C(=O)N1CCN(C)CC[N@H+](C)CC1)[NH+]1CCc2ccccc2C1 ZINC000888992201 590796018 /nfs/dbraw/zinc/79/60/18/590796018.db2.gz AIOVUXHUUOVTKS-KRWDZBQOSA-N 2 2 344.503 1.139 20 0 EDADLP C[C@@H](C(=O)N1CCN(C)CC[N@@H+](C)CC1)[NH+]1CCc2ccccc2C1 ZINC000888992201 590796021 /nfs/dbraw/zinc/79/60/21/590796021.db2.gz AIOVUXHUUOVTKS-KRWDZBQOSA-N 2 2 344.503 1.139 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@@H]2CCc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000893354095 590798772 /nfs/dbraw/zinc/79/87/72/590798772.db2.gz DTXKBAOCLFRIRV-ZWKOTPCHSA-N 2 2 343.471 1.239 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)nc(C(C)C)[nH+]1 ZINC000892282146 590911592 /nfs/dbraw/zinc/91/15/92/590911592.db2.gz LBOSZKVASOAADX-LSDHHAIUSA-N 2 2 346.479 1.856 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892513722 591054635 /nfs/dbraw/zinc/05/46/35/591054635.db2.gz ISHKEXRDOFULTD-KRWDZBQOSA-N 2 2 349.504 1.515 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000893706830 591056091 /nfs/dbraw/zinc/05/60/91/591056091.db2.gz KCXHRMUZACTMLK-HUUCEWRRSA-N 2 2 341.496 1.725 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892527094 591059269 /nfs/dbraw/zinc/05/92/69/591059269.db2.gz ILNDKSLZCZOHLL-RHSMWYFYSA-N 2 2 333.457 1.844 20 0 EDADLP Cc1cc2c(CCNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c[nH]c2cc1F ZINC000892529740 591059926 /nfs/dbraw/zinc/05/99/26/591059926.db2.gz ZQTNTUMKWRGCRT-CQSZACIVSA-N 2 2 347.438 1.442 20 0 EDADLP Cc1cc2c(CCNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c[nH]c2cc1F ZINC000892529740 591059930 /nfs/dbraw/zinc/05/99/30/591059930.db2.gz ZQTNTUMKWRGCRT-CQSZACIVSA-N 2 2 347.438 1.442 20 0 EDADLP OCc1c[nH+]ccc1NC[C@@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000891488809 591091355 /nfs/dbraw/zinc/09/13/55/591091355.db2.gz BKQNSMFNMNZQPH-SFHVURJKSA-N 2 2 331.391 1.620 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC[NH2+]CC3)C2)c1 ZINC000892609615 591092474 /nfs/dbraw/zinc/09/24/74/591092474.db2.gz SEHSKVTXMNRSLV-SFHVURJKSA-N 2 2 346.475 1.201 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])C2)c1 ZINC000892610025 591094193 /nfs/dbraw/zinc/09/41/93/591094193.db2.gz ZJJLWLOUHJMCPS-DOTOQJQBSA-N 2 2 334.464 1.184 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])C2)c1 ZINC000892610025 591094197 /nfs/dbraw/zinc/09/41/97/591094197.db2.gz ZJJLWLOUHJMCPS-DOTOQJQBSA-N 2 2 334.464 1.184 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000893867907 591120658 /nfs/dbraw/zinc/12/06/58/591120658.db2.gz UHYIIYAKUPWWJH-MRXNPFEDSA-N 3 2 339.528 1.044 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000893867907 591120660 /nfs/dbraw/zinc/12/06/60/591120660.db2.gz UHYIIYAKUPWWJH-MRXNPFEDSA-N 3 2 339.528 1.044 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892676498 591124357 /nfs/dbraw/zinc/12/43/57/591124357.db2.gz NIMSXOWCFOQVAC-JSGCOSHPSA-N 2 2 337.420 1.924 20 0 EDADLP C[NH+](C)CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000893895007 591133499 /nfs/dbraw/zinc/13/34/99/591133499.db2.gz CZWZBQLAWFCTHT-UONOGXRCSA-N 2 2 327.469 1.600 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000892772790 591170294 /nfs/dbraw/zinc/17/02/94/591170294.db2.gz RGRHMXHNJZKBKK-KRWDZBQOSA-N 2 2 341.459 1.784 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000892772790 591170296 /nfs/dbraw/zinc/17/02/96/591170296.db2.gz RGRHMXHNJZKBKK-KRWDZBQOSA-N 2 2 341.459 1.784 20 0 EDADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(C)c1 ZINC000891704341 591193807 /nfs/dbraw/zinc/19/38/07/591193807.db2.gz WAWJEMFEIHXTFW-XYJFISCASA-N 2 2 339.443 1.997 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000892837959 591200338 /nfs/dbraw/zinc/20/03/38/591200338.db2.gz JDNQNSWUMYYNNX-DZGCQCFKSA-N 2 2 345.447 1.551 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H]2C[C@@]2(C)Br)CC1 ZINC000892878224 591213300 /nfs/dbraw/zinc/21/33/00/591213300.db2.gz VMPGPGJCQVDPTH-BXUZGUMPSA-N 2 2 332.286 1.302 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000891784140 591223523 /nfs/dbraw/zinc/22/35/23/591223523.db2.gz SZSFKFJAMGUVGX-KGLIPLIRSA-N 3 2 326.408 1.871 20 0 EDADLP CO[C@@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000895684796 591252514 /nfs/dbraw/zinc/25/25/14/591252514.db2.gz GIMMVEYBPGSOEB-OALUTQOASA-N 2 2 339.524 1.578 20 0 EDADLP COCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000895889084 591297936 /nfs/dbraw/zinc/29/79/36/591297936.db2.gz QZMVJIMRCYQVPM-INIZCTEOSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000895889084 591297939 /nfs/dbraw/zinc/29/79/39/591297939.db2.gz QZMVJIMRCYQVPM-INIZCTEOSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000895889084 591297941 /nfs/dbraw/zinc/29/79/41/591297941.db2.gz QZMVJIMRCYQVPM-INIZCTEOSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000895889084 591297944 /nfs/dbraw/zinc/29/79/44/591297944.db2.gz QZMVJIMRCYQVPM-INIZCTEOSA-N 2 2 335.452 1.017 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000894426697 591308958 /nfs/dbraw/zinc/30/89/58/591308958.db2.gz BUNNGESYRFJRQN-XQLPTFJDSA-N 2 2 337.468 1.569 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000894426697 591308961 /nfs/dbraw/zinc/30/89/61/591308961.db2.gz BUNNGESYRFJRQN-XQLPTFJDSA-N 2 2 337.468 1.569 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000896044238 591330246 /nfs/dbraw/zinc/33/02/46/591330246.db2.gz XTWUXZYHQDWSSR-CRAIPNDOSA-N 2 2 349.475 1.571 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000896044238 591330250 /nfs/dbraw/zinc/33/02/50/591330250.db2.gz XTWUXZYHQDWSSR-CRAIPNDOSA-N 2 2 349.475 1.571 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000896059234 591331382 /nfs/dbraw/zinc/33/13/82/591331382.db2.gz UUEYTDJHYGKPOR-QGZVFWFLSA-N 2 2 331.460 1.909 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000896059234 591331386 /nfs/dbraw/zinc/33/13/86/591331386.db2.gz UUEYTDJHYGKPOR-QGZVFWFLSA-N 2 2 331.460 1.909 20 0 EDADLP COC/C=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866956662 591400417 /nfs/dbraw/zinc/40/04/17/591400417.db2.gz FTZAXWJGULUQBU-HJPCAMOWSA-N 2 2 337.508 1.985 20 0 EDADLP COC/C=C\C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866956662 591400419 /nfs/dbraw/zinc/40/04/19/591400419.db2.gz FTZAXWJGULUQBU-HJPCAMOWSA-N 2 2 337.508 1.985 20 0 EDADLP Cn1nc(Br)nc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000894779893 591416095 /nfs/dbraw/zinc/41/60/95/591416095.db2.gz RIUUEDYZBPUKIL-LBPRGKRZSA-N 2 2 342.285 1.741 20 0 EDADLP Cn1nc(Br)nc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000894779893 591416099 /nfs/dbraw/zinc/41/60/99/591416099.db2.gz RIUUEDYZBPUKIL-LBPRGKRZSA-N 2 2 342.285 1.741 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000898615390 591441497 /nfs/dbraw/zinc/44/14/97/591441497.db2.gz GSOQLKSHXFGVKG-SFHVURJKSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)c1 ZINC000898615482 591441671 /nfs/dbraw/zinc/44/16/71/591441671.db2.gz MLCJKOQDSFFORY-UHFFFAOYSA-N 2 2 337.468 1.453 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)NCc3cn(C)c[nH+]3)CC2)c1 ZINC000898633844 591455298 /nfs/dbraw/zinc/45/52/98/591455298.db2.gz SZPNKECRKIROAI-UHFFFAOYSA-N 2 2 327.432 1.756 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898721825 591488613 /nfs/dbraw/zinc/48/86/13/591488613.db2.gz WBHNYYBVCHLJIJ-GHMZBOCLSA-N 2 2 336.237 1.971 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)CCCO1 ZINC000897571746 591559645 /nfs/dbraw/zinc/55/96/45/591559645.db2.gz XGQPECODWQGOIV-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)CCCO1 ZINC000897571746 591559648 /nfs/dbraw/zinc/55/96/48/591559648.db2.gz XGQPECODWQGOIV-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCCO1 ZINC000897571746 591559651 /nfs/dbraw/zinc/55/96/51/591559651.db2.gz XGQPECODWQGOIV-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CCCO1 ZINC000897571746 591559653 /nfs/dbraw/zinc/55/96/53/591559653.db2.gz XGQPECODWQGOIV-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CCCO1 ZINC000897571746 591559657 /nfs/dbraw/zinc/55/96/57/591559657.db2.gz XGQPECODWQGOIV-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CCCO1 ZINC000897571746 591559660 /nfs/dbraw/zinc/55/96/60/591559660.db2.gz XGQPECODWQGOIV-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CCCO1 ZINC000897571746 591559663 /nfs/dbraw/zinc/55/96/63/591559663.db2.gz XGQPECODWQGOIV-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CCCO1 ZINC000897571746 591559666 /nfs/dbraw/zinc/55/96/66/591559666.db2.gz XGQPECODWQGOIV-WMLDXEAASA-N 2 2 349.479 1.407 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000899160615 591707356 /nfs/dbraw/zinc/70/73/56/591707356.db2.gz RKRPVOXFUQITRL-QFBILLFUSA-N 2 2 343.471 1.613 20 0 EDADLP Cc1cc(CN(CC[NH+](C)C)CC(=O)N(C)C)c2c([nH+]1)CCCC2 ZINC000895369299 591731830 /nfs/dbraw/zinc/73/18/30/591731830.db2.gz PBDZXUYQWBJWCX-UHFFFAOYSA-N 2 2 332.492 1.721 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)OCCO2 ZINC000895437766 591757732 /nfs/dbraw/zinc/75/77/32/591757732.db2.gz YQZCFODNRKJQSP-ARFHVFGLSA-N 2 2 328.428 1.463 20 0 EDADLP COCCOC[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000895467311 591768496 /nfs/dbraw/zinc/76/84/96/591768496.db2.gz LPGGTRIXWGPMOS-HKUYNNGSSA-N 2 2 335.492 1.444 20 0 EDADLP COCCOC[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000895467311 591768498 /nfs/dbraw/zinc/76/84/98/591768498.db2.gz LPGGTRIXWGPMOS-HKUYNNGSSA-N 2 2 335.492 1.444 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1F ZINC000897228410 591778549 /nfs/dbraw/zinc/77/85/49/591778549.db2.gz KYMVEVBVNKWNPQ-OAHLLOKOSA-N 2 2 336.407 1.955 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c[nH+]1 ZINC000897264086 591794082 /nfs/dbraw/zinc/79/40/82/591794082.db2.gz TVVHADMOJSPHGQ-NVXWUHKLSA-N 2 2 347.507 1.411 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000898279831 591850879 /nfs/dbraw/zinc/85/08/79/591850879.db2.gz OEOQTUGSFKHWSB-AEFFLSMTSA-N 2 2 347.459 1.012 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284802 591853084 /nfs/dbraw/zinc/85/30/84/591853084.db2.gz PGFQCPFZGHONCA-SUMWQHHRSA-N 2 2 337.489 1.655 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284802 591853089 /nfs/dbraw/zinc/85/30/89/591853089.db2.gz PGFQCPFZGHONCA-SUMWQHHRSA-N 2 2 337.489 1.655 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000900020941 591871840 /nfs/dbraw/zinc/87/18/40/591871840.db2.gz XATDYPXDAGJYJJ-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000900020941 591871842 /nfs/dbraw/zinc/87/18/42/591871842.db2.gz XATDYPXDAGJYJJ-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP CCc1ccc([C@H](C[NH2+]C[C@@H](O)C2(O)CCOCC2)[NH+](C)C)cc1 ZINC000899861210 591963460 /nfs/dbraw/zinc/96/34/60/591963460.db2.gz XHTOIHHUBOXCPI-ZWKOTPCHSA-N 2 2 336.476 1.344 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902319959 591969205 /nfs/dbraw/zinc/96/92/05/591969205.db2.gz NHYJHVPKOOPMME-KRWDZBQOSA-N 3 2 331.508 1.701 20 0 EDADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000899930860 591985674 /nfs/dbraw/zinc/98/56/74/591985674.db2.gz ZLJGPVKXADCDGP-UHFFFAOYSA-N 2 2 343.431 1.663 20 0 EDADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000899930860 591985677 /nfs/dbraw/zinc/98/56/77/591985677.db2.gz ZLJGPVKXADCDGP-UHFFFAOYSA-N 2 2 343.431 1.663 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902444362 591997027 /nfs/dbraw/zinc/99/70/27/591997027.db2.gz NHRVNOBDYDCJCO-NXOUGTEYSA-N 2 2 345.468 1.870 20 0 EDADLP CCn1cnc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)c1 ZINC000902516363 592009430 /nfs/dbraw/zinc/00/94/30/592009430.db2.gz CMXNKWGDEPFWKY-ZFWWWQNUSA-N 2 2 347.442 1.466 20 0 EDADLP CCO[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000902738420 592054397 /nfs/dbraw/zinc/05/43/97/592054397.db2.gz DNUUYPKTBQAMGM-ZWKOTPCHSA-N 2 2 347.507 1.926 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cn(C)nn3)cc2)CC1 ZINC000902751678 592057556 /nfs/dbraw/zinc/05/75/56/592057556.db2.gz XKJLAMXWUHJTBU-MRXNPFEDSA-N 2 2 342.491 1.803 20 0 EDADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cn(C)nn3)cc2)CC1 ZINC000902751678 592057558 /nfs/dbraw/zinc/05/75/58/592057558.db2.gz XKJLAMXWUHJTBU-MRXNPFEDSA-N 2 2 342.491 1.803 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900589556 592061145 /nfs/dbraw/zinc/06/11/45/592061145.db2.gz KXUHEASHNQYRFI-KRWDZBQOSA-N 2 2 327.432 1.819 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900589556 592061147 /nfs/dbraw/zinc/06/11/47/592061147.db2.gz KXUHEASHNQYRFI-KRWDZBQOSA-N 2 2 327.432 1.819 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000900592541 592061861 /nfs/dbraw/zinc/06/18/61/592061861.db2.gz ZFNWPNLCIWSGKI-FXAWDEMLSA-N 2 2 345.487 1.565 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000900592541 592061863 /nfs/dbraw/zinc/06/18/63/592061863.db2.gz ZFNWPNLCIWSGKI-FXAWDEMLSA-N 2 2 345.487 1.565 20 0 EDADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000900592541 592061865 /nfs/dbraw/zinc/06/18/65/592061865.db2.gz ZFNWPNLCIWSGKI-FXAWDEMLSA-N 2 2 345.487 1.565 20 0 EDADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000900592541 592061867 /nfs/dbraw/zinc/06/18/67/592061867.db2.gz ZFNWPNLCIWSGKI-FXAWDEMLSA-N 2 2 345.487 1.565 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000900601125 592065828 /nfs/dbraw/zinc/06/58/28/592065828.db2.gz FHKAYGQMLREKKN-KRWDZBQOSA-N 2 2 339.443 1.952 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000900601125 592065830 /nfs/dbraw/zinc/06/58/30/592065830.db2.gz FHKAYGQMLREKKN-KRWDZBQOSA-N 2 2 339.443 1.952 20 0 EDADLP C[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902872746 592075704 /nfs/dbraw/zinc/07/57/04/592075704.db2.gz NDIRGVXQYYNMIW-CQSZACIVSA-N 2 2 337.445 1.584 20 0 EDADLP O=C(CNc1cccc[nH+]1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000900660987 592084124 /nfs/dbraw/zinc/08/41/24/592084124.db2.gz CIQSJTHBGLLKNS-UHFFFAOYSA-N 2 2 332.448 1.645 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903092987 592121996 /nfs/dbraw/zinc/12/19/96/592121996.db2.gz OGIOZNSVUJDNDZ-KBPBESRZSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903092987 592121998 /nfs/dbraw/zinc/12/19/98/592121998.db2.gz OGIOZNSVUJDNDZ-KBPBESRZSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CN(C)CC[NH+]1C ZINC000900812646 592134265 /nfs/dbraw/zinc/13/42/65/592134265.db2.gz XBFNFZNEQGBALV-QXAKKESOSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CN(C)CC[NH+]1C ZINC000900812646 592134270 /nfs/dbraw/zinc/13/42/70/592134270.db2.gz XBFNFZNEQGBALV-QXAKKESOSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900812646 592134272 /nfs/dbraw/zinc/13/42/72/592134272.db2.gz XBFNFZNEQGBALV-QXAKKESOSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC000900812646 592134274 /nfs/dbraw/zinc/13/42/74/592134274.db2.gz XBFNFZNEQGBALV-QXAKKESOSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903210160 592139298 /nfs/dbraw/zinc/13/92/98/592139298.db2.gz UFBGTPIAWRJOPG-KGLIPLIRSA-N 2 2 341.496 1.867 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903210160 592139300 /nfs/dbraw/zinc/13/93/00/592139300.db2.gz UFBGTPIAWRJOPG-KGLIPLIRSA-N 2 2 341.496 1.867 20 0 EDADLP C[NH+](C)Cc1csc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000903219461 592140950 /nfs/dbraw/zinc/14/09/50/592140950.db2.gz IKOFPAIMZWAXGP-INIZCTEOSA-N 2 2 338.521 1.938 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000900898367 592156842 /nfs/dbraw/zinc/15/68/42/592156842.db2.gz KNXSPHLOBZKHQK-GOSISDBHSA-N 2 2 342.443 1.514 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000900898367 592156843 /nfs/dbraw/zinc/15/68/43/592156843.db2.gz KNXSPHLOBZKHQK-GOSISDBHSA-N 2 2 342.443 1.514 20 0 EDADLP C[C@H]1CCC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)[C@@H]1C[NH3+] ZINC000903425267 592167918 /nfs/dbraw/zinc/16/79/18/592167918.db2.gz YYVOGLCJGGQGNX-WMLDXEAASA-N 2 2 345.443 1.358 20 0 EDADLP C[C@H]1CCC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)[C@@H]1C[NH3+] ZINC000903425267 592167920 /nfs/dbraw/zinc/16/79/20/592167920.db2.gz YYVOGLCJGGQGNX-WMLDXEAASA-N 2 2 345.443 1.358 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c(OC)c1 ZINC000903432842 592168799 /nfs/dbraw/zinc/16/87/99/592168799.db2.gz NIBDQNOYHWYILL-CABCVRRESA-N 2 2 347.459 1.317 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903469997 592175124 /nfs/dbraw/zinc/17/51/24/592175124.db2.gz YZZZHVIERHDNIQ-GUYCJALGSA-N 2 2 347.459 1.755 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903484825 592177794 /nfs/dbraw/zinc/17/77/94/592177794.db2.gz WHASRYFPRSALMK-MRXNPFEDSA-N 2 2 338.473 1.733 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900960490 592186035 /nfs/dbraw/zinc/18/60/35/592186035.db2.gz SKTJLVQQNAVWHP-SFHVURJKSA-N 2 2 347.507 1.599 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000903568629 592223889 /nfs/dbraw/zinc/22/38/89/592223889.db2.gz MTQSDBRQJRFODD-UHFFFAOYSA-N 2 2 333.457 1.541 20 0 EDADLP C/C(=C\C(=O)N1CCCC2(CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000907960744 592235162 /nfs/dbraw/zinc/23/51/62/592235162.db2.gz VBCKHCIVZYTCLF-SAPNQHFASA-N 2 2 335.492 1.599 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)NC3(C[NH+](C)C)CCC3)co2)C1 ZINC000907964528 592236659 /nfs/dbraw/zinc/23/66/59/592236659.db2.gz VHUOLIOSWSTXQY-ZDUSSCGKSA-N 2 2 336.436 1.109 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NC3(C[NH+](C)C)CCC3)co2)C1 ZINC000907964528 592236661 /nfs/dbraw/zinc/23/66/61/592236661.db2.gz VHUOLIOSWSTXQY-ZDUSSCGKSA-N 2 2 336.436 1.109 20 0 EDADLP COC(=O)c1coc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)c1 ZINC000904450944 592263620 /nfs/dbraw/zinc/26/36/20/592263620.db2.gz WAGFSYCCPXMMEK-AWEZNQCLSA-N 2 2 331.372 1.492 20 0 EDADLP C[C@@H]([NH3+])C1(c2nc(Cc3cn4ccccc4[nH+]3)no2)CCOCC1 ZINC000904530134 592280467 /nfs/dbraw/zinc/28/04/67/592280467.db2.gz HHLYPZQMKYDRAJ-GFCCVEGCSA-N 2 2 327.388 1.704 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906690005 592290146 /nfs/dbraw/zinc/29/01/46/592290146.db2.gz DCHSIWBVDBUJPS-SJORKVTESA-N 2 2 346.475 1.129 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906690005 592290150 /nfs/dbraw/zinc/29/01/50/592290150.db2.gz DCHSIWBVDBUJPS-SJORKVTESA-N 2 2 346.475 1.129 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000906727958 592295357 /nfs/dbraw/zinc/29/53/57/592295357.db2.gz PNMGGGQMXVMPRE-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903733686 592296998 /nfs/dbraw/zinc/29/69/98/592296998.db2.gz MJYGNPOFSNSUSB-NVXWUHKLSA-N 2 2 338.473 1.291 20 0 EDADLP C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903733686 592296999 /nfs/dbraw/zinc/29/69/99/592296999.db2.gz MJYGNPOFSNSUSB-NVXWUHKLSA-N 2 2 338.473 1.291 20 0 EDADLP CCOC(=O)c1cc2n(n1)C[C@H](C)[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903785516 592322084 /nfs/dbraw/zinc/32/20/84/592322084.db2.gz ZRIVFJYARXPBPO-YEWWUXTCSA-N 2 2 348.447 1.033 20 0 EDADLP CCOC(=O)c1cc2n(n1)C[C@H](C)[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903785516 592322088 /nfs/dbraw/zinc/32/20/88/592322088.db2.gz ZRIVFJYARXPBPO-YEWWUXTCSA-N 2 2 348.447 1.033 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000901297734 592328716 /nfs/dbraw/zinc/32/87/16/592328716.db2.gz BLDJJAKMKLQYCF-ZIAGYGMSSA-N 2 2 334.420 1.348 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000901297734 592328719 /nfs/dbraw/zinc/32/87/19/592328719.db2.gz BLDJJAKMKLQYCF-ZIAGYGMSSA-N 2 2 334.420 1.348 20 0 EDADLP O[C@H](C[N@@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000903819150 592332006 /nfs/dbraw/zinc/33/20/06/592332006.db2.gz DDDOKOAJGXUYDM-MRXNPFEDSA-N 2 2 326.387 1.843 20 0 EDADLP O[C@H](C[N@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000903819150 592332012 /nfs/dbraw/zinc/33/20/12/592332012.db2.gz DDDOKOAJGXUYDM-MRXNPFEDSA-N 2 2 326.387 1.843 20 0 EDADLP Cc1c(-c2cc(C[N@@H+]3CC[NH2+]CCC34CCOCC4)on2)cnn1C ZINC000903818342 592341518 /nfs/dbraw/zinc/34/15/18/592341518.db2.gz HLCXXGHECQZZNQ-UHFFFAOYSA-N 2 2 345.447 1.728 20 0 EDADLP Cc1c(-c2cc(C[N@H+]3CC[NH2+]CCC34CCOCC4)on2)cnn1C ZINC000903818342 592341523 /nfs/dbraw/zinc/34/15/23/592341523.db2.gz HLCXXGHECQZZNQ-UHFFFAOYSA-N 2 2 345.447 1.728 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N(C)[C@H]3CCC[NH+](C)C3)co2)C1 ZINC000906797382 592348853 /nfs/dbraw/zinc/34/88/53/592348853.db2.gz ICWNRGGSLUTVHX-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N(C)[C@H]3CCC[NH+](C)C3)co2)C1 ZINC000906797382 592348859 /nfs/dbraw/zinc/34/88/59/592348859.db2.gz ICWNRGGSLUTVHX-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)co2)C1 ZINC000906797382 592348861 /nfs/dbraw/zinc/34/88/61/592348861.db2.gz ICWNRGGSLUTVHX-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)co2)C1 ZINC000906797382 592348866 /nfs/dbraw/zinc/34/88/66/592348866.db2.gz ICWNRGGSLUTVHX-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000908158952 592354079 /nfs/dbraw/zinc/35/40/79/592354079.db2.gz CKUGCICZYZXVJS-UHFFFAOYSA-N 2 2 347.507 1.607 20 0 EDADLP [NH3+][C@H](CC(F)F)CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000903875832 592356779 /nfs/dbraw/zinc/35/67/79/592356779.db2.gz CSSUUFJFTQWUEB-CQSZACIVSA-N 2 2 341.402 1.558 20 0 EDADLP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000903878774 592359952 /nfs/dbraw/zinc/35/99/52/592359952.db2.gz YNSKTQQASQXZIF-HNNXBMFYSA-N 2 2 343.431 1.953 20 0 EDADLP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCO2 ZINC000903878774 592359959 /nfs/dbraw/zinc/35/99/59/592359959.db2.gz YNSKTQQASQXZIF-HNNXBMFYSA-N 2 2 343.431 1.953 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@H](CC)CN1C(C)=O ZINC000903897740 592367913 /nfs/dbraw/zinc/36/79/13/592367913.db2.gz JIFMAOWEVGYAIE-ZACQAIPSSA-N 2 2 348.495 1.424 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@H](CC)CN1C(C)=O ZINC000903897740 592367919 /nfs/dbraw/zinc/36/79/19/592367919.db2.gz JIFMAOWEVGYAIE-ZACQAIPSSA-N 2 2 348.495 1.424 20 0 EDADLP c1csc(N2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903899646 592370302 /nfs/dbraw/zinc/37/03/02/592370302.db2.gz VILVKGYXJAEWTQ-CQSZACIVSA-N 2 2 332.477 1.586 20 0 EDADLP Cc1ccc(N2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000903905755 592372426 /nfs/dbraw/zinc/37/24/26/592372426.db2.gz NFBRGXCLSSNKNZ-SFHVURJKSA-N 2 2 340.475 1.833 20 0 EDADLP NC1(C[NH2+]C[C@H]([NH3+])CC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000903929901 592382933 /nfs/dbraw/zinc/38/29/33/592382933.db2.gz NXMXWPHPCZCNFK-OAHLLOKOSA-N 3 2 326.435 1.552 20 0 EDADLP COCCN(C)c1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cn1 ZINC000903970078 592395218 /nfs/dbraw/zinc/39/52/18/592395218.db2.gz QCAFZZANTYRKBP-KRWDZBQOSA-N 2 2 348.491 1.413 20 0 EDADLP O=C(NC1CC1)c1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974108 592397900 /nfs/dbraw/zinc/39/79/00/592397900.db2.gz LUEOZXKYORYBLJ-SFHVURJKSA-N 2 2 343.471 1.827 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974613 592398805 /nfs/dbraw/zinc/39/88/05/592398805.db2.gz RXHGTXHEDNKKIY-GOSISDBHSA-N 3 2 347.503 1.875 20 0 EDADLP C[C@]1(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000905218454 592471679 /nfs/dbraw/zinc/47/16/79/592471679.db2.gz NGOMLFUKPUPEOF-AQNXPRMDSA-N 2 2 348.487 1.533 20 0 EDADLP C[C@]1(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000905218454 592471682 /nfs/dbraw/zinc/47/16/82/592471682.db2.gz NGOMLFUKPUPEOF-AQNXPRMDSA-N 2 2 348.487 1.533 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Nc1ccccc1C[NH+]1CCOCC1)C2 ZINC000904303879 592472088 /nfs/dbraw/zinc/47/20/88/592472088.db2.gz KLUBJSCTWQMFTL-XIRDDKMYSA-N 2 2 344.459 1.862 20 0 EDADLP CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000908398062 592479833 /nfs/dbraw/zinc/47/98/33/592479833.db2.gz FCUSWNCNJUYKSH-SJORKVTESA-N 2 2 340.427 1.678 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000905344700 592500782 /nfs/dbraw/zinc/50/07/82/592500782.db2.gz HMHQTXNRLJAHPN-UHFFFAOYSA-N 2 2 348.491 1.423 20 0 EDADLP Cc1cccc2[nH+]c(CCNS(=O)(=O)CC3CC[NH2+]CC3)cn21 ZINC000905346889 592501150 /nfs/dbraw/zinc/50/11/50/592501150.db2.gz ZVCVCTPEVDXJFK-UHFFFAOYSA-N 2 2 336.461 1.104 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)NCC(C)(C)C[NH+](C)C)co2)C1 ZINC000905378320 592519704 /nfs/dbraw/zinc/51/97/04/592519704.db2.gz KAFFWNQLHZMARH-ZDUSSCGKSA-N 2 2 338.452 1.213 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NCC(C)(C)C[NH+](C)C)co2)C1 ZINC000905378320 592519707 /nfs/dbraw/zinc/51/97/07/592519707.db2.gz KAFFWNQLHZMARH-ZDUSSCGKSA-N 2 2 338.452 1.213 20 0 EDADLP CCN1C[C@H](C[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)Oc2ccccc21 ZINC000908553128 592535928 /nfs/dbraw/zinc/53/59/28/592535928.db2.gz NZPLYQULSAVLPV-SJORKVTESA-N 2 2 333.476 1.662 20 0 EDADLP CCN1C[C@H](C[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)Oc2ccccc21 ZINC000908553128 592535930 /nfs/dbraw/zinc/53/59/30/592535930.db2.gz NZPLYQULSAVLPV-SJORKVTESA-N 2 2 333.476 1.662 20 0 EDADLP C[N@H+](CCO)CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000905489861 592551787 /nfs/dbraw/zinc/55/17/87/592551787.db2.gz NVHFZCUOGMSAGC-LLVKDONJSA-N 2 2 337.247 1.247 20 0 EDADLP C[N@@H+](CCO)CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000905489861 592551788 /nfs/dbraw/zinc/55/17/88/592551788.db2.gz NVHFZCUOGMSAGC-LLVKDONJSA-N 2 2 337.247 1.247 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]CC(=O)N1CCCCc2ccccc21)C1CC1 ZINC000905603430 592575302 /nfs/dbraw/zinc/57/53/02/592575302.db2.gz ANWIATRXCQXBSR-QGZVFWFLSA-N 2 2 331.460 1.401 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]CC(=O)N1CCCCc2ccccc21)C1CC1 ZINC000905603430 592575305 /nfs/dbraw/zinc/57/53/05/592575305.db2.gz ANWIATRXCQXBSR-QGZVFWFLSA-N 2 2 331.460 1.401 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@@H]3C[NH2+]CCC3(F)F)[nH+]cn2)C1 ZINC000905675174 592608089 /nfs/dbraw/zinc/60/80/89/592608089.db2.gz BAEKYUXXVLAHKV-AVGNSLFASA-N 2 2 341.406 1.340 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@@H]3C[NH2+]CCC3(F)F)nc[nH+]2)C1 ZINC000905675174 592608092 /nfs/dbraw/zinc/60/80/92/592608092.db2.gz BAEKYUXXVLAHKV-AVGNSLFASA-N 2 2 341.406 1.340 20 0 EDADLP Cn1ccc(C2CC[NH+](CN3C[C@@H](c4c[nH+]cn4C)CC3=O)CC2)n1 ZINC000905721476 592629360 /nfs/dbraw/zinc/62/93/60/592629360.db2.gz CDBUARWYNNFUSK-HNNXBMFYSA-N 2 2 342.447 1.307 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000905730994 592630640 /nfs/dbraw/zinc/63/06/40/592630640.db2.gz BOZHZAZRNPZQEF-PVAVHDDUSA-N 2 2 342.447 1.102 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000905730994 592630643 /nfs/dbraw/zinc/63/06/43/592630643.db2.gz BOZHZAZRNPZQEF-PVAVHDDUSA-N 2 2 342.447 1.102 20 0 EDADLP CC[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000905908083 592676817 /nfs/dbraw/zinc/67/68/17/592676817.db2.gz YSROFUZYNIFBDX-VAMGGRTRSA-N 2 2 348.487 1.315 20 0 EDADLP CC[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000905908083 592676821 /nfs/dbraw/zinc/67/68/21/592676821.db2.gz YSROFUZYNIFBDX-VAMGGRTRSA-N 2 2 348.487 1.315 20 0 EDADLP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907570636 592715162 /nfs/dbraw/zinc/71/51/62/592715162.db2.gz KVGCFFCOBKBHOU-QGZVFWFLSA-N 2 2 327.432 1.860 20 0 EDADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907570636 592715165 /nfs/dbraw/zinc/71/51/65/592715165.db2.gz KVGCFFCOBKBHOU-QGZVFWFLSA-N 2 2 327.432 1.860 20 0 EDADLP CC(C)C[C@@H]([NH3+])C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000906097036 592741268 /nfs/dbraw/zinc/74/12/68/592741268.db2.gz LIPYLWLQNUQZRQ-CABCVRRESA-N 3 2 333.480 1.264 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000906115199 592746743 /nfs/dbraw/zinc/74/67/43/592746743.db2.gz AJZIOCKUKZCHGW-UHFFFAOYSA-N 2 2 346.475 1.727 20 0 EDADLP CC(=O)CCn1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)nn1 ZINC000906271449 592770284 /nfs/dbraw/zinc/77/02/84/592770284.db2.gz HMNPOOQKHOKGGC-INIZCTEOSA-N 2 2 342.447 1.895 20 0 EDADLP CC(=O)CCn1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)nn1 ZINC000906271449 592770287 /nfs/dbraw/zinc/77/02/87/592770287.db2.gz HMNPOOQKHOKGGC-INIZCTEOSA-N 2 2 342.447 1.895 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C[C@H]3CC[N@@H+](C)C3)ccc2n1C(CO)CO ZINC000909307059 592804603 /nfs/dbraw/zinc/80/46/03/592804603.db2.gz JSIRGXAOCMDBHN-CYBMUJFWSA-N 2 2 346.431 1.151 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C[C@H]3CC[N@H+](C)C3)ccc2n1C(CO)CO ZINC000909307059 592804605 /nfs/dbraw/zinc/80/46/05/592804605.db2.gz JSIRGXAOCMDBHN-CYBMUJFWSA-N 2 2 346.431 1.151 20 0 EDADLP O=C(NC[C@@H]1CCCCC[NH2+]1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000911556416 592945096 /nfs/dbraw/zinc/94/50/96/592945096.db2.gz JVOLBGZGQUQBOS-UONOGXRCSA-N 2 2 333.436 1.112 20 0 EDADLP CC[C@@H](O)[C@H](C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190059 592945758 /nfs/dbraw/zinc/94/57/58/592945758.db2.gz GDRTXYCIYMJTIX-DOTOQJQBSA-N 2 2 325.497 1.412 20 0 EDADLP CC[C@@H](O)[C@H](C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190059 592945760 /nfs/dbraw/zinc/94/57/60/592945760.db2.gz GDRTXYCIYMJTIX-DOTOQJQBSA-N 2 2 325.497 1.412 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000911572037 592951689 /nfs/dbraw/zinc/95/16/89/592951689.db2.gz REIFTTUHJVIUFV-PCKAHOCUSA-N 2 2 332.448 1.205 20 0 EDADLP Cc1sc(C[NH3+])nc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000911644055 592965311 /nfs/dbraw/zinc/96/53/11/592965311.db2.gz YLTPVPDTYATGNV-UHFFFAOYSA-N 2 2 331.445 1.835 20 0 EDADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]Cc2ccoc2)CC1 ZINC000735086007 592975637 /nfs/dbraw/zinc/97/56/37/592975637.db2.gz MZVUJKCCNIDVSR-UHFFFAOYSA-N 2 2 349.456 1.506 20 0 EDADLP CCCCCC[C@@H](C)NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911260159 592977780 /nfs/dbraw/zinc/97/77/80/592977780.db2.gz UZMMLARNUFEJJP-CQSZACIVSA-N 2 2 326.485 1.001 20 0 EDADLP CC[C@@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911817811 593022643 /nfs/dbraw/zinc/02/26/43/593022643.db2.gz HGCLDRFLWTXLMA-ZACQAIPSSA-N 2 2 325.497 1.900 20 0 EDADLP CC[C@@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911817811 593022645 /nfs/dbraw/zinc/02/26/45/593022645.db2.gz HGCLDRFLWTXLMA-ZACQAIPSSA-N 2 2 325.497 1.900 20 0 EDADLP COCCOc1ccc(C(F)(F)F)cc1NC(=O)C[NH2+]CC[NH3+] ZINC000911972288 593043445 /nfs/dbraw/zinc/04/34/45/593043445.db2.gz VBTBZGOMMZWMPF-UHFFFAOYSA-N 2 2 335.326 1.217 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1CC([NH+]2CCCC2)C1)C(F)(F)F ZINC000912322189 593086804 /nfs/dbraw/zinc/08/68/04/593086804.db2.gz OBSILCYZIZLQCD-LBPRGKRZSA-N 2 2 330.354 1.763 20 0 EDADLP CC(C)N1CC[NH+](CCCOC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000805611525 593113927 /nfs/dbraw/zinc/11/39/27/593113927.db2.gz XLVXXKVURDARLU-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP CCCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000805776039 593141677 /nfs/dbraw/zinc/14/16/77/593141677.db2.gz LMGXXJDKQHFJFD-JKSUJKDBSA-N 2 2 327.469 1.434 20 0 EDADLP CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000805776039 593141674 /nfs/dbraw/zinc/14/16/74/593141674.db2.gz LMGXXJDKQHFJFD-JKSUJKDBSA-N 2 2 327.469 1.434 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000802731078 593273431 /nfs/dbraw/zinc/27/34/31/593273431.db2.gz FJFXTUQKVLQIDK-GOSISDBHSA-N 2 2 345.447 1.978 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@@H]21 ZINC000802734834 593274318 /nfs/dbraw/zinc/27/43/18/593274318.db2.gz VEFXHPYBEWVLFM-ALKREAHSSA-N 2 2 348.491 1.861 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@@H]21 ZINC000802734834 593274321 /nfs/dbraw/zinc/27/43/21/593274321.db2.gz VEFXHPYBEWVLFM-ALKREAHSSA-N 2 2 348.491 1.861 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@@H]21 ZINC000802734834 593274323 /nfs/dbraw/zinc/27/43/23/593274323.db2.gz VEFXHPYBEWVLFM-ALKREAHSSA-N 2 2 348.491 1.861 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)N[C@@](C)(C4CCCC4)C3=O)CC[C@@H]21 ZINC000802734834 593274325 /nfs/dbraw/zinc/27/43/25/593274325.db2.gz VEFXHPYBEWVLFM-ALKREAHSSA-N 2 2 348.491 1.861 20 0 EDADLP COCCNC(=O)C1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000809542757 593344568 /nfs/dbraw/zinc/34/45/68/593344568.db2.gz GBNBGAXZPUHESM-UHFFFAOYSA-N 2 2 340.493 1.179 20 0 EDADLP O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000810038381 593376576 /nfs/dbraw/zinc/37/65/76/593376576.db2.gz UIMKPCALGFQDHR-CVEARBPZSA-N 2 2 325.453 1.186 20 0 EDADLP O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000810038381 593376579 /nfs/dbraw/zinc/37/65/79/593376579.db2.gz UIMKPCALGFQDHR-CVEARBPZSA-N 2 2 325.453 1.186 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3CCN(Cc4cccnc4)C3=O)CC[C@@H]21 ZINC000840030249 593394398 /nfs/dbraw/zinc/39/43/98/593394398.db2.gz YBZUKSVNXNVUPI-ROUUACIJSA-N 2 2 343.475 1.693 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CN3CCN(Cc4cccnc4)C3=O)CC[C@@H]21 ZINC000840030249 593394400 /nfs/dbraw/zinc/39/44/00/593394400.db2.gz YBZUKSVNXNVUPI-ROUUACIJSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CN3CCN(Cc4cccnc4)C3=O)CC[C@@H]21 ZINC000840030249 593394402 /nfs/dbraw/zinc/39/44/02/593394402.db2.gz YBZUKSVNXNVUPI-ROUUACIJSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3CCN(Cc4cccnc4)C3=O)CC[C@@H]21 ZINC000840030249 593394405 /nfs/dbraw/zinc/39/44/05/593394405.db2.gz YBZUKSVNXNVUPI-ROUUACIJSA-N 2 2 343.475 1.693 20 0 EDADLP CC1=CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000840038367 593403714 /nfs/dbraw/zinc/40/37/14/593403714.db2.gz UASYZWODGONMJJ-HDICACEKSA-N 2 2 339.439 1.713 20 0 EDADLP CC1=CC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000840038367 593403719 /nfs/dbraw/zinc/40/37/19/593403719.db2.gz UASYZWODGONMJJ-HDICACEKSA-N 2 2 339.439 1.713 20 0 EDADLP CC1=CC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000840038367 593403721 /nfs/dbraw/zinc/40/37/21/593403721.db2.gz UASYZWODGONMJJ-HDICACEKSA-N 2 2 339.439 1.713 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)C1 ZINC000811760517 593479643 /nfs/dbraw/zinc/47/96/43/593479643.db2.gz MHXZOHANDRGXES-QLFBSQMISA-N 2 2 332.448 1.583 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)C1 ZINC000811760517 593479644 /nfs/dbraw/zinc/47/96/44/593479644.db2.gz MHXZOHANDRGXES-QLFBSQMISA-N 2 2 332.448 1.583 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)C(C)(C)[C@H]2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000811759232 593479846 /nfs/dbraw/zinc/47/98/46/593479846.db2.gz BPPLORXJIFLIFE-KBAYOESNSA-N 2 2 348.535 1.549 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)C(C)(C)[C@H]2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000811759232 593479847 /nfs/dbraw/zinc/47/98/47/593479847.db2.gz BPPLORXJIFLIFE-KBAYOESNSA-N 2 2 348.535 1.549 20 0 EDADLP COc1ccccc1[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1[nH+]ccn1C ZINC000811812875 593483487 /nfs/dbraw/zinc/48/34/87/593483487.db2.gz CBKNAUNGDBGCQH-YJBOKZPZSA-N 2 2 344.459 1.563 20 0 EDADLP COc1ccccc1[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1[nH+]ccn1C ZINC000811812875 593483488 /nfs/dbraw/zinc/48/34/88/593483488.db2.gz CBKNAUNGDBGCQH-YJBOKZPZSA-N 2 2 344.459 1.563 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000812747365 593508550 /nfs/dbraw/zinc/50/85/50/593508550.db2.gz XDJMYPQDDQDIES-UHFFFAOYSA-N 2 2 340.464 1.679 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)n1C ZINC000813338186 593527662 /nfs/dbraw/zinc/52/76/62/593527662.db2.gz ZTEMBXXUKFVDRC-DZGCQCFKSA-N 2 2 332.452 1.165 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)n1C ZINC000813338186 593527665 /nfs/dbraw/zinc/52/76/65/593527665.db2.gz ZTEMBXXUKFVDRC-DZGCQCFKSA-N 2 2 332.452 1.165 20 0 EDADLP O=C1OCC[C@@]12CCC[N@@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274424 593586857 /nfs/dbraw/zinc/58/68/57/593586857.db2.gz DKSXOHAMEUZWQU-IBGZPJMESA-N 2 2 330.428 1.800 20 0 EDADLP O=C1OCC[C@@]12CCC[N@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274424 593586858 /nfs/dbraw/zinc/58/68/58/593586858.db2.gz DKSXOHAMEUZWQU-IBGZPJMESA-N 2 2 330.428 1.800 20 0 EDADLP OC[C@@]1([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)CCCO1 ZINC000815290496 593625665 /nfs/dbraw/zinc/62/56/65/593625665.db2.gz JOEHRYZKDCQUKA-QZTJIDSGSA-N 2 2 328.416 1.677 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815640963 593645310 /nfs/dbraw/zinc/64/53/10/593645310.db2.gz LOCHHWOUMBRADM-CRAIPNDOSA-N 2 2 328.464 1.643 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815640963 593645311 /nfs/dbraw/zinc/64/53/11/593645311.db2.gz LOCHHWOUMBRADM-CRAIPNDOSA-N 2 2 328.464 1.643 20 0 EDADLP [NH3+][C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000817892693 593646196 /nfs/dbraw/zinc/64/61/96/593646196.db2.gz OVLWCGPJJGBNLH-MSOLQXFVSA-N 2 2 345.468 1.840 20 0 EDADLP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000817893808 593646346 /nfs/dbraw/zinc/64/63/46/593646346.db2.gz IBTKUZHAEJXTOI-KURKYZTESA-N 2 2 336.432 1.094 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1C ZINC000818986307 593732401 /nfs/dbraw/zinc/73/24/01/593732401.db2.gz KORYBXTWZBMRCQ-OTWHNJEPSA-N 2 2 348.487 1.804 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1C ZINC000818986307 593732402 /nfs/dbraw/zinc/73/24/02/593732402.db2.gz KORYBXTWZBMRCQ-OTWHNJEPSA-N 2 2 348.487 1.804 20 0 EDADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2=O)cc1 ZINC000819111274 593739404 /nfs/dbraw/zinc/73/94/04/593739404.db2.gz NMWJPEBUMQZCOV-MSOLQXFVSA-N 2 2 331.460 1.535 20 0 EDADLP Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2=O)cc1 ZINC000819111274 593739405 /nfs/dbraw/zinc/73/94/05/593739405.db2.gz NMWJPEBUMQZCOV-MSOLQXFVSA-N 2 2 331.460 1.535 20 0 EDADLP CON(C)C(=O)CC[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000819139023 593740894 /nfs/dbraw/zinc/74/08/94/593740894.db2.gz FYHGZENIJYXJQB-UHFFFAOYSA-N 2 2 327.469 1.269 20 0 EDADLP CCCCCC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000819306687 593749601 /nfs/dbraw/zinc/74/96/01/593749601.db2.gz WPZNGCCPAXMFET-FBVQUNGASA-N 2 2 339.524 1.991 20 0 EDADLP CCCCCC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000819306687 593749602 /nfs/dbraw/zinc/74/96/02/593749602.db2.gz WPZNGCCPAXMFET-FBVQUNGASA-N 2 2 339.524 1.991 20 0 EDADLP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000820009715 593782984 /nfs/dbraw/zinc/78/29/84/593782984.db2.gz OAYULXBWNBBWOI-NXHRZFHOSA-N 2 2 329.444 1.460 20 0 EDADLP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000820009715 593782985 /nfs/dbraw/zinc/78/29/85/593782985.db2.gz OAYULXBWNBBWOI-NXHRZFHOSA-N 2 2 329.444 1.460 20 0 EDADLP Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@H]1N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000820009715 593782986 /nfs/dbraw/zinc/78/29/86/593782986.db2.gz OAYULXBWNBBWOI-NXHRZFHOSA-N 2 2 329.444 1.460 20 0 EDADLP Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@H]1N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000820009715 593782987 /nfs/dbraw/zinc/78/29/87/593782987.db2.gz OAYULXBWNBBWOI-NXHRZFHOSA-N 2 2 329.444 1.460 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C[C@H](C)O1 ZINC000820759304 593884150 /nfs/dbraw/zinc/88/41/50/593884150.db2.gz IUEPLFKULREZRB-TXEJJXNPSA-N 2 2 336.465 1.517 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C[C@H](C)O1 ZINC000820759304 593884151 /nfs/dbraw/zinc/88/41/51/593884151.db2.gz IUEPLFKULREZRB-TXEJJXNPSA-N 2 2 336.465 1.517 20 0 EDADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824428892 594009458 /nfs/dbraw/zinc/00/94/58/594009458.db2.gz UNQOLUNNPQVUIK-QWHCGFSZSA-N 2 2 348.426 1.625 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000821387235 594034289 /nfs/dbraw/zinc/03/42/89/594034289.db2.gz RLUVFKKREPXZTP-CABCVRRESA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000821387235 594034291 /nfs/dbraw/zinc/03/42/91/594034291.db2.gz RLUVFKKREPXZTP-CABCVRRESA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000821387235 594034293 /nfs/dbraw/zinc/03/42/93/594034293.db2.gz RLUVFKKREPXZTP-CABCVRRESA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000821387235 594034295 /nfs/dbraw/zinc/03/42/95/594034295.db2.gz RLUVFKKREPXZTP-CABCVRRESA-N 2 2 329.485 1.629 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000822477947 594054746 /nfs/dbraw/zinc/05/47/46/594054746.db2.gz FRWGWXWQOKKFOC-HNNXBMFYSA-N 2 2 334.464 1.485 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000825170368 594141083 /nfs/dbraw/zinc/14/10/83/594141083.db2.gz YEOIKDIMCZGHIN-LJQANCHMSA-N 2 2 345.487 1.970 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000827699658 594260357 /nfs/dbraw/zinc/26/03/57/594260357.db2.gz KVSYBJTUVCTDIF-OAHLLOKOSA-N 2 2 341.496 1.821 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000827699658 594260360 /nfs/dbraw/zinc/26/03/60/594260360.db2.gz KVSYBJTUVCTDIF-OAHLLOKOSA-N 2 2 341.496 1.821 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2[nH+]1 ZINC000825900275 594272911 /nfs/dbraw/zinc/27/29/11/594272911.db2.gz JWGKFFOSRXLSLS-CABCVRRESA-N 2 2 329.404 1.627 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2[nH+]1 ZINC000825900275 594272913 /nfs/dbraw/zinc/27/29/13/594272913.db2.gz JWGKFFOSRXLSLS-CABCVRRESA-N 2 2 329.404 1.627 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826037771 594312843 /nfs/dbraw/zinc/31/28/43/594312843.db2.gz DDKAUFKTVMMWMY-WBVHZDCISA-N 2 2 341.463 1.080 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826037771 594312844 /nfs/dbraw/zinc/31/28/44/594312844.db2.gz DDKAUFKTVMMWMY-WBVHZDCISA-N 2 2 341.463 1.080 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(N)cc3O)CC2)CC1 ZINC000827975584 594313382 /nfs/dbraw/zinc/31/33/82/594313382.db2.gz JDVRFNWDMDWONM-UHFFFAOYSA-N 2 2 332.448 1.263 20 0 EDADLP CN(C)c1cc(CN2C(=O)N[C@@]3(CCCC[C@@H]3C[NH3+])C2=O)cc[nH+]1 ZINC000830448342 594398142 /nfs/dbraw/zinc/39/81/42/594398142.db2.gz MRHYLLGKARZVSD-CXAGYDPISA-N 2 2 331.420 1.087 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000830550624 594420377 /nfs/dbraw/zinc/42/03/77/594420377.db2.gz ZYYKKGMARTXVNV-ICSRJNTNSA-N 2 2 342.487 1.837 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000830550624 594420379 /nfs/dbraw/zinc/42/03/79/594420379.db2.gz ZYYKKGMARTXVNV-ICSRJNTNSA-N 2 2 342.487 1.837 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000826364000 594446332 /nfs/dbraw/zinc/44/63/32/594446332.db2.gz HSGKOCYGAYXHGG-LLVKDONJSA-N 2 2 327.367 1.729 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000826364000 594446333 /nfs/dbraw/zinc/44/63/33/594446333.db2.gz HSGKOCYGAYXHGG-LLVKDONJSA-N 2 2 327.367 1.729 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC000826588817 594533351 /nfs/dbraw/zinc/53/33/51/594533351.db2.gz CEHUPWBJNTYVIY-GOSISDBHSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC000826588817 594533354 /nfs/dbraw/zinc/53/33/54/594533354.db2.gz CEHUPWBJNTYVIY-GOSISDBHSA-N 2 2 345.487 1.654 20 0 EDADLP CC1(C)[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]2CCO[C@H]21 ZINC000831293335 594601373 /nfs/dbraw/zinc/60/13/73/594601373.db2.gz HHXTYNTVKMMLLZ-KBAYOESNSA-N 2 2 347.459 1.327 20 0 EDADLP C[NH+](C)[C@@H](CC(=O)Nc1cc2n(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000829416889 594610367 /nfs/dbraw/zinc/61/03/67/594610367.db2.gz FJUGSFKWPPKUJL-INIZCTEOSA-N 2 2 327.432 1.960 20 0 EDADLP C[NH+](C)[C@@H](CC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000829416889 594610368 /nfs/dbraw/zinc/61/03/68/594610368.db2.gz FJUGSFKWPPKUJL-INIZCTEOSA-N 2 2 327.432 1.960 20 0 EDADLP C[NH+]1CCC(OCC(=O)N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000827207427 594652627 /nfs/dbraw/zinc/65/26/27/594652627.db2.gz GVCPSGTVTVZDLW-QGZVFWFLSA-N 2 2 346.406 1.865 20 0 EDADLP FC1(F)Oc2cccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2O1 ZINC000840889907 594823700 /nfs/dbraw/zinc/82/37/00/594823700.db2.gz JJPZWCFCDWWKFN-OLZOCXBDSA-N 2 2 326.343 1.961 20 0 EDADLP FC1(F)Oc2cccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2O1 ZINC000840889907 594823702 /nfs/dbraw/zinc/82/37/02/594823702.db2.gz JJPZWCFCDWWKFN-OLZOCXBDSA-N 2 2 326.343 1.961 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCS(=O)(=O)Cc2ccccc2)n1C ZINC000840883990 594823741 /nfs/dbraw/zinc/82/37/41/594823741.db2.gz IJANCBMUIXZZPQ-UHFFFAOYSA-N 2 2 336.461 1.191 20 0 EDADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000841100069 594850721 /nfs/dbraw/zinc/85/07/21/594850721.db2.gz SQXVGUBYZANABW-OALUTQOASA-N 2 2 341.459 1.986 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000841689847 594938006 /nfs/dbraw/zinc/93/80/06/594938006.db2.gz GZVSMMWXWNLVTI-ZFWWWQNUSA-N 2 2 328.420 1.584 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841689458 594938113 /nfs/dbraw/zinc/93/81/13/594938113.db2.gz DOCSWGOXNIQXFD-GFCCVEGCSA-N 2 2 336.346 1.064 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cn1 ZINC000841722427 594943530 /nfs/dbraw/zinc/94/35/30/594943530.db2.gz NUSOOXXCWTVYQD-CHWSQXEVSA-N 2 2 328.420 1.468 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCc1ccc(CC[NH3+])cc1)[NH+]1CCOCC1 ZINC000841793732 594954356 /nfs/dbraw/zinc/95/43/56/594954356.db2.gz JOAGUHOONKDHKX-LSDHHAIUSA-N 2 2 334.464 1.096 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(-c3noc(C4(C[NH3+])CC4)n3)cc2)CC1 ZINC000843201555 595031740 /nfs/dbraw/zinc/03/17/40/595031740.db2.gz ZEGLZNQABPKGQC-UHFFFAOYSA-N 2 2 341.415 1.115 20 0 EDADLP Cc1ccc2c(C[N@H+](C)CC(=O)N3CC[NH2+]CC3)cc(=O)oc2c1C ZINC000843346771 595081901 /nfs/dbraw/zinc/08/19/01/595081901.db2.gz ODIADWQNIZDKNS-UHFFFAOYSA-N 2 2 343.427 1.273 20 0 EDADLP Cc1ccc2c(C[N@@H+](C)CC(=O)N3CC[NH2+]CC3)cc(=O)oc2c1C ZINC000843346771 595081903 /nfs/dbraw/zinc/08/19/03/595081903.db2.gz ODIADWQNIZDKNS-UHFFFAOYSA-N 2 2 343.427 1.273 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1Cc1ccccc1 ZINC000843358017 595086622 /nfs/dbraw/zinc/08/66/22/595086622.db2.gz WLIBALXVMUZIMA-SFHVURJKSA-N 2 2 340.471 1.868 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1Cc1ccccc1 ZINC000843358017 595086624 /nfs/dbraw/zinc/08/66/24/595086624.db2.gz WLIBALXVMUZIMA-SFHVURJKSA-N 2 2 340.471 1.868 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000843361237 595087754 /nfs/dbraw/zinc/08/77/54/595087754.db2.gz BPLFHKNXGIFOLB-UYTSQGDYSA-N 2 2 345.443 1.287 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000843361237 595087759 /nfs/dbraw/zinc/08/77/59/595087759.db2.gz BPLFHKNXGIFOLB-UYTSQGDYSA-N 2 2 345.443 1.287 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843378839 595094562 /nfs/dbraw/zinc/09/45/62/595094562.db2.gz IBMSGICBMZBXMB-DNVCBOLYSA-N 2 2 346.475 1.521 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843378839 595094566 /nfs/dbraw/zinc/09/45/66/595094566.db2.gz IBMSGICBMZBXMB-DNVCBOLYSA-N 2 2 346.475 1.521 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843404669 595102214 /nfs/dbraw/zinc/10/22/14/595102214.db2.gz WVSNHFQFDCMCEA-GJZGRUSLSA-N 2 2 329.485 1.536 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843404669 595102215 /nfs/dbraw/zinc/10/22/15/595102215.db2.gz WVSNHFQFDCMCEA-GJZGRUSLSA-N 2 2 329.485 1.536 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)NCCC3(C[NH3+])CC3)CC2)S1 ZINC000846182559 595167262 /nfs/dbraw/zinc/16/72/62/595167262.db2.gz MYPGZKGKWGIQQF-UHFFFAOYSA-N 2 2 339.509 1.324 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000843061948 595276917 /nfs/dbraw/zinc/27/69/17/595276917.db2.gz JPWPKICVPRTWDU-SWLSCSKDSA-N 2 2 332.366 1.785 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)c1ccccc1Br ZINC000843095321 595286360 /nfs/dbraw/zinc/28/63/60/595286360.db2.gz NGFBGLGYEXCMLW-AWEZNQCLSA-N 2 2 331.254 1.386 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)c1ccccc1Br ZINC000843095321 595286362 /nfs/dbraw/zinc/28/63/62/595286362.db2.gz NGFBGLGYEXCMLW-AWEZNQCLSA-N 2 2 331.254 1.386 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000844187212 595296544 /nfs/dbraw/zinc/29/65/44/595296544.db2.gz GQDBVNATHOFPNI-IUODEOHRSA-N 2 2 341.402 1.452 20 0 EDADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844217742 595304879 /nfs/dbraw/zinc/30/48/79/595304879.db2.gz MCGYPJGWSSNEEJ-SFHVURJKSA-N 2 2 346.475 1.665 20 0 EDADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844217742 595304881 /nfs/dbraw/zinc/30/48/81/595304881.db2.gz MCGYPJGWSSNEEJ-SFHVURJKSA-N 2 2 346.475 1.665 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844220387 595305596 /nfs/dbraw/zinc/30/55/96/595305596.db2.gz VPIRFMXQMDSURX-HZPDHXFCSA-N 2 2 346.475 1.521 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844220387 595305597 /nfs/dbraw/zinc/30/55/97/595305597.db2.gz VPIRFMXQMDSURX-HZPDHXFCSA-N 2 2 346.475 1.521 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844223293 595308227 /nfs/dbraw/zinc/30/82/27/595308227.db2.gz XJTRWXOAPAUQPT-CABCVRRESA-N 2 2 332.448 1.131 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844223293 595308230 /nfs/dbraw/zinc/30/82/30/595308230.db2.gz XJTRWXOAPAUQPT-CABCVRRESA-N 2 2 332.448 1.131 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000846996077 595348485 /nfs/dbraw/zinc/34/84/85/595348485.db2.gz PAGMXGIPEJNAKC-LSDHHAIUSA-N 2 2 345.281 1.727 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000846996077 595348488 /nfs/dbraw/zinc/34/84/88/595348488.db2.gz PAGMXGIPEJNAKC-LSDHHAIUSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000846996077 595348491 /nfs/dbraw/zinc/34/84/91/595348491.db2.gz PAGMXGIPEJNAKC-LSDHHAIUSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000846996077 595348494 /nfs/dbraw/zinc/34/84/94/595348494.db2.gz PAGMXGIPEJNAKC-LSDHHAIUSA-N 2 2 345.281 1.727 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000846996076 595348656 /nfs/dbraw/zinc/34/86/56/595348656.db2.gz PAGMXGIPEJNAKC-HUUCEWRRSA-N 2 2 345.281 1.727 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000846996076 595348659 /nfs/dbraw/zinc/34/86/59/595348659.db2.gz PAGMXGIPEJNAKC-HUUCEWRRSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000846996076 595348662 /nfs/dbraw/zinc/34/86/62/595348662.db2.gz PAGMXGIPEJNAKC-HUUCEWRRSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000846996076 595348664 /nfs/dbraw/zinc/34/86/64/595348664.db2.gz PAGMXGIPEJNAKC-HUUCEWRRSA-N 2 2 345.281 1.727 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852861601 595583292 /nfs/dbraw/zinc/58/32/92/595583292.db2.gz XNXGXWCPKTWVBB-AWEZNQCLSA-N 2 2 339.321 1.426 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000852901278 595606033 /nfs/dbraw/zinc/60/60/33/595606033.db2.gz FDNSGCSKULACJY-OLMNPRSZSA-N 2 2 329.444 1.239 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000852901278 595606037 /nfs/dbraw/zinc/60/60/37/595606037.db2.gz FDNSGCSKULACJY-OLMNPRSZSA-N 2 2 329.444 1.239 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@](C)(O)c1ccc(Cl)cc1 ZINC000855415372 595704607 /nfs/dbraw/zinc/70/46/07/595704607.db2.gz WNVHOQWLUTVRJB-QGZVFWFLSA-N 2 2 341.883 1.547 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@](C)(O)c1ccc(Cl)cc1 ZINC000855415372 595704610 /nfs/dbraw/zinc/70/46/10/595704610.db2.gz WNVHOQWLUTVRJB-QGZVFWFLSA-N 2 2 341.883 1.547 20 0 EDADLP COc1cncc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000850024573 595721444 /nfs/dbraw/zinc/72/14/44/595721444.db2.gz JFOGXXCTOSWZGP-UHFFFAOYSA-N 2 2 342.447 1.182 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000853607760 595829704 /nfs/dbraw/zinc/82/97/04/595829704.db2.gz UWXVCOXSIRAOEE-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000853607760 595829707 /nfs/dbraw/zinc/82/97/07/595829707.db2.gz UWXVCOXSIRAOEE-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]CC[NH+]2CCC(OC)CC2)CC1 ZINC000850439603 595834165 /nfs/dbraw/zinc/83/41/65/595834165.db2.gz MPHZOVLRJGMRJI-UHFFFAOYSA-N 2 2 327.469 1.744 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)OCC[NH+]3CCC3)cc2F)CC1 ZINC000861388926 595969665 /nfs/dbraw/zinc/96/96/65/595969665.db2.gz RGBKHFGEOJKOSS-UHFFFAOYSA-N 2 2 335.423 1.830 20 0 EDADLP c1[nH]nc([C@H]2CC[NH2+]C2)c1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000854154376 595992554 /nfs/dbraw/zinc/99/25/54/595992554.db2.gz SERQXVDXBBXPGW-SGMGOOAPSA-N 2 2 344.419 1.462 20 0 EDADLP c1[nH]nc([C@H]2CC[NH2+]C2)c1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000854154376 595992556 /nfs/dbraw/zinc/99/25/56/595992556.db2.gz SERQXVDXBBXPGW-SGMGOOAPSA-N 2 2 344.419 1.462 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000854224912 596007680 /nfs/dbraw/zinc/00/76/80/596007680.db2.gz WXKAXLABMFESNQ-PVAVHDDUSA-N 2 2 333.432 1.364 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854230766 596009097 /nfs/dbraw/zinc/00/90/97/596009097.db2.gz DKSJJZLCAPRPEK-HOCLYGCPSA-N 2 2 332.448 1.463 20 0 EDADLP CCn1ncc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)n1 ZINC000856550441 596016093 /nfs/dbraw/zinc/01/60/93/596016093.db2.gz YJDCCHWXZGDSDA-GOSISDBHSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1ncc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)n1 ZINC000856550441 596016096 /nfs/dbraw/zinc/01/60/96/596016096.db2.gz YJDCCHWXZGDSDA-GOSISDBHSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1ncc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)n1 ZINC000856550441 596016100 /nfs/dbraw/zinc/01/61/00/596016100.db2.gz YJDCCHWXZGDSDA-GOSISDBHSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1ncc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)n1 ZINC000856550441 596016102 /nfs/dbraw/zinc/01/61/02/596016102.db2.gz YJDCCHWXZGDSDA-GOSISDBHSA-N 2 2 344.463 1.798 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000861563955 596030718 /nfs/dbraw/zinc/03/07/18/596030718.db2.gz ZSFZLFOVXZMYIN-DOTOQJQBSA-N 2 2 334.464 1.357 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)ccn1 ZINC000856626629 596038834 /nfs/dbraw/zinc/03/88/34/596038834.db2.gz OROKHYGLRQARJU-INIZCTEOSA-N 2 2 343.431 1.479 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)ccn1 ZINC000856626629 596038837 /nfs/dbraw/zinc/03/88/37/596038837.db2.gz OROKHYGLRQARJU-INIZCTEOSA-N 2 2 343.431 1.479 20 0 EDADLP CN(C(=O)c1cc(C=O)ccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000859333358 596054000 /nfs/dbraw/zinc/05/40/00/596054000.db2.gz LZDMPTAQWFGEIK-INIZCTEOSA-N 2 2 347.434 1.879 20 0 EDADLP CN(C(=O)c1cc(C=O)ccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000859333358 596054002 /nfs/dbraw/zinc/05/40/02/596054002.db2.gz LZDMPTAQWFGEIK-INIZCTEOSA-N 2 2 347.434 1.879 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@]3(C)Br)C2)CC1 ZINC000859337857 596055817 /nfs/dbraw/zinc/05/58/17/596055817.db2.gz SKNVNVBULGJSBK-CORIIIEPSA-N 2 2 344.297 1.445 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@]3(C)Br)C2)CC1 ZINC000859337857 596055819 /nfs/dbraw/zinc/05/58/19/596055819.db2.gz SKNVNVBULGJSBK-CORIIIEPSA-N 2 2 344.297 1.445 20 0 EDADLP Cc1c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ccnc1F ZINC000862274642 596295086 /nfs/dbraw/zinc/29/50/86/596295086.db2.gz RDHBFYQFPVIJQJ-UHFFFAOYSA-N 2 2 329.423 1.966 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@](C)(O)Cc2ccccc2)nn1 ZINC000864645988 596295691 /nfs/dbraw/zinc/29/56/91/596295691.db2.gz QAEBKYSMISCNNR-LJQANCHMSA-N 2 2 345.491 1.612 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@](C)(O)Cc2ccccc2)nn1 ZINC000864645988 596295695 /nfs/dbraw/zinc/29/56/95/596295695.db2.gz QAEBKYSMISCNNR-LJQANCHMSA-N 2 2 345.491 1.612 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCc3cc(C)no3)[nH+]cn2)C1 ZINC000864701604 596313726 /nfs/dbraw/zinc/31/37/26/596313726.db2.gz UFKZUONIOJEUGS-ZFWWWQNUSA-N 2 2 346.435 1.540 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870667626 596316107 /nfs/dbraw/zinc/31/61/07/596316107.db2.gz HCXPZZSXBSCVGQ-UHFFFAOYSA-N 3 2 342.447 1.757 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000866776475 596338387 /nfs/dbraw/zinc/33/83/87/596338387.db2.gz HDQPACFFSUPDKE-CJNGLKHVSA-N 2 2 330.407 1.959 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000866776475 596338390 /nfs/dbraw/zinc/33/83/90/596338390.db2.gz HDQPACFFSUPDKE-CJNGLKHVSA-N 2 2 330.407 1.959 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000870862831 596381200 /nfs/dbraw/zinc/38/12/00/596381200.db2.gz BVHSRHUHRCKISJ-KZNAEPCWSA-N 2 2 331.460 1.694 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870864672 596382110 /nfs/dbraw/zinc/38/21/10/596382110.db2.gz IYTAMLOTAULGEM-GWCFXTLKSA-N 2 2 337.221 1.850 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c[nH+]2)C[C@H](C)O1 ZINC000870866453 596382696 /nfs/dbraw/zinc/38/26/96/596382696.db2.gz WUUHCFPCXUDIIM-TVWYGFFRSA-N 2 2 344.459 1.439 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c[nH+]2)C[C@@H](C)O1 ZINC000870866455 596382815 /nfs/dbraw/zinc/38/28/15/596382815.db2.gz WUUHCFPCXUDIIM-ZQRXOBFBSA-N 2 2 344.459 1.439 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC3CC[NH2+]CC3)C2)cc1 ZINC000870978977 596425798 /nfs/dbraw/zinc/42/57/98/596425798.db2.gz DXQBYEDJTFOLER-IBGZPJMESA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CC3CC[NH2+]CC3)C2)cc1 ZINC000870978977 596425801 /nfs/dbraw/zinc/42/58/01/596425801.db2.gz DXQBYEDJTFOLER-IBGZPJMESA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2)c1 ZINC000870978669 596426017 /nfs/dbraw/zinc/42/60/17/596426017.db2.gz YLRVGTKXJQYFCM-GUDVDZBRSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2)c1 ZINC000870978669 596426019 /nfs/dbraw/zinc/42/60/19/596426019.db2.gz YLRVGTKXJQYFCM-GUDVDZBRSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)C2)cc1 ZINC000870979615 596426526 /nfs/dbraw/zinc/42/65/26/596426526.db2.gz QFZUPAQFIRRRSZ-LXZJYRNTSA-N 2 2 343.471 1.439 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)C2)cc1 ZINC000870979615 596426529 /nfs/dbraw/zinc/42/65/29/596426529.db2.gz QFZUPAQFIRRRSZ-LXZJYRNTSA-N 2 2 343.471 1.439 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000864990003 596437738 /nfs/dbraw/zinc/43/77/38/596437738.db2.gz CVBJWXBGQKDAPD-RJRFIUFISA-N 2 2 349.500 1.323 20 0 EDADLP CN1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)Cc2ccc[nH+]c21 ZINC000871020717 596440853 /nfs/dbraw/zinc/44/08/53/596440853.db2.gz ITWFDHYQIGPJQV-HXUWFJFHSA-N 2 2 336.439 1.791 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865048787 596455205 /nfs/dbraw/zinc/45/52/05/596455205.db2.gz CYGXXNMUXNJKAG-FSNICTLMSA-N 2 2 335.492 1.739 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865048787 596455207 /nfs/dbraw/zinc/45/52/07/596455207.db2.gz CYGXXNMUXNJKAG-FSNICTLMSA-N 2 2 335.492 1.739 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000865138553 596488689 /nfs/dbraw/zinc/48/86/89/596488689.db2.gz GZBMIUGDAXTSKU-ARJAWSKDSA-N 2 2 347.459 1.132 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000865170348 596498283 /nfs/dbraw/zinc/49/82/83/596498283.db2.gz DSJHDUGEJUXMMO-HNNXBMFYSA-N 2 2 334.395 1.243 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000865170348 596498287 /nfs/dbraw/zinc/49/82/87/596498287.db2.gz DSJHDUGEJUXMMO-HNNXBMFYSA-N 2 2 334.395 1.243 20 0 EDADLP COCCC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000863269638 596534272 /nfs/dbraw/zinc/53/42/72/596534272.db2.gz KIHATCPIQARCCF-SFHVURJKSA-N 2 2 337.464 1.609 20 0 EDADLP Cc1ccnc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1Br ZINC000865449982 596578720 /nfs/dbraw/zinc/57/87/20/596578720.db2.gz JBFZKSIJZBCEDC-CYBMUJFWSA-N 2 2 341.297 1.878 20 0 EDADLP Nc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc(C2CCCC2)[nH+]1 ZINC000865505393 596593730 /nfs/dbraw/zinc/59/37/30/596593730.db2.gz DTLSSOOYUAEFRA-KBPBESRZSA-N 2 2 332.452 1.147 20 0 EDADLP C[C@@H]([NH3+])CN(C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000863567066 596620587 /nfs/dbraw/zinc/62/05/87/596620587.db2.gz ASNXRKPUBMGLNN-CQSZACIVSA-N 2 2 338.883 1.263 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000865659239 596641121 /nfs/dbraw/zinc/64/11/21/596641121.db2.gz JDCSGPZLCOEOMJ-INIZCTEOSA-N 2 2 335.448 1.319 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000865659239 596641123 /nfs/dbraw/zinc/64/11/23/596641123.db2.gz JDCSGPZLCOEOMJ-INIZCTEOSA-N 2 2 335.448 1.319 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000865659144 596641405 /nfs/dbraw/zinc/64/14/05/596641405.db2.gz DMAQVSOQFHZODN-HNNXBMFYSA-N 2 2 349.866 1.856 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000865659144 596641408 /nfs/dbraw/zinc/64/14/08/596641408.db2.gz DMAQVSOQFHZODN-HNNXBMFYSA-N 2 2 349.866 1.856 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C2)cc1 ZINC000867998739 596649651 /nfs/dbraw/zinc/64/96/51/596649651.db2.gz ZSYCXPWSUNCKBQ-QXAKKESOSA-N 2 2 347.503 1.931 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C2)cc1 ZINC000867998739 596649653 /nfs/dbraw/zinc/64/96/53/596649653.db2.gz ZSYCXPWSUNCKBQ-QXAKKESOSA-N 2 2 347.503 1.931 20 0 EDADLP Cc1ccn(C[C@H](C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865750531 596670529 /nfs/dbraw/zinc/67/05/29/596670529.db2.gz QEADBHUMHOCUTL-GOEBONIOSA-N 2 2 333.480 1.112 20 0 EDADLP Cc1ccn(C[C@H](C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865750531 596670531 /nfs/dbraw/zinc/67/05/31/596670531.db2.gz QEADBHUMHOCUTL-GOEBONIOSA-N 2 2 333.480 1.112 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868134527 596697725 /nfs/dbraw/zinc/69/77/25/596697725.db2.gz MQDURPRVZZDLID-JKSUJKDBSA-N 2 2 345.447 1.585 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872153458 596815134 /nfs/dbraw/zinc/81/51/34/596815134.db2.gz CAFBPIAOSZATCF-XTQGRXLLSA-N 2 2 349.456 1.181 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@@H]([N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1=O ZINC000872153458 596815136 /nfs/dbraw/zinc/81/51/36/596815136.db2.gz CAFBPIAOSZATCF-XTQGRXLLSA-N 2 2 349.456 1.181 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3cc(C)[nH+]c(N)n3)C2)c1 ZINC000866191024 596822057 /nfs/dbraw/zinc/82/20/57/596822057.db2.gz ROKABGPWQXACSP-INIZCTEOSA-N 2 2 327.432 1.989 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNc3cc(C)[nH+]c(N)n3)C2)c1 ZINC000866191024 596822058 /nfs/dbraw/zinc/82/20/58/596822058.db2.gz ROKABGPWQXACSP-INIZCTEOSA-N 2 2 327.432 1.989 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)CC[C@@H]21 ZINC000866207748 596827959 /nfs/dbraw/zinc/82/79/59/596827959.db2.gz JPGBEKCSQNDCEP-OAGGEKHMSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)CC[C@@H]21 ZINC000866207748 596827960 /nfs/dbraw/zinc/82/79/60/596827960.db2.gz JPGBEKCSQNDCEP-OAGGEKHMSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)CC[C@@H]21 ZINC000866207748 596827962 /nfs/dbraw/zinc/82/79/62/596827962.db2.gz JPGBEKCSQNDCEP-OAGGEKHMSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)CC[C@@H]21 ZINC000866207748 596827964 /nfs/dbraw/zinc/82/79/64/596827964.db2.gz JPGBEKCSQNDCEP-OAGGEKHMSA-N 2 2 331.464 1.358 20 0 EDADLP CC(C)[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccn1 ZINC000866300640 596850842 /nfs/dbraw/zinc/85/08/42/596850842.db2.gz VOZWLTXUBZQLJP-QFBILLFUSA-N 2 2 346.475 1.301 20 0 EDADLP C[N@H+](CCNC(=O)/C=C/C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000866352491 596864739 /nfs/dbraw/zinc/86/47/39/596864739.db2.gz XFZQIHKXCKMVJB-NSCUHMNNSA-N 2 2 335.423 1.262 20 0 EDADLP C[N@@H+](CCNC(=O)/C=C/C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000866352491 596864740 /nfs/dbraw/zinc/86/47/40/596864740.db2.gz XFZQIHKXCKMVJB-NSCUHMNNSA-N 2 2 335.423 1.262 20 0 EDADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866437636 596886632 /nfs/dbraw/zinc/88/66/32/596886632.db2.gz KZPAJJATOUTSDO-LBPRGKRZSA-N 2 2 336.358 1.566 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)on1 ZINC000866515362 596895101 /nfs/dbraw/zinc/89/51/01/596895101.db2.gz HOAGPKOXQKAHFN-CQSZACIVSA-N 2 2 337.420 1.584 20 0 EDADLP Cc1nccnc1[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000876416848 597199871 /nfs/dbraw/zinc/19/98/71/597199871.db2.gz WFKMEGARCYBAGC-OAHLLOKOSA-N 2 2 348.495 1.513 20 0 EDADLP Cc1nccnc1[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000876416848 597199874 /nfs/dbraw/zinc/19/98/74/597199874.db2.gz WFKMEGARCYBAGC-OAHLLOKOSA-N 2 2 348.495 1.513 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000874988804 597233048 /nfs/dbraw/zinc/23/30/48/597233048.db2.gz FHFHUBHIZGYEMO-ROUUACIJSA-N 2 2 348.491 1.699 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000874988804 597233050 /nfs/dbraw/zinc/23/30/50/597233050.db2.gz FHFHUBHIZGYEMO-ROUUACIJSA-N 2 2 348.491 1.699 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000874989903 597233849 /nfs/dbraw/zinc/23/38/49/597233849.db2.gz SOVNWVCLCVQMRC-MRXNPFEDSA-N 2 2 328.501 1.515 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000874989903 597233852 /nfs/dbraw/zinc/23/38/52/597233852.db2.gz SOVNWVCLCVQMRC-MRXNPFEDSA-N 2 2 328.501 1.515 20 0 EDADLP [NH3+][C@H](C(=O)NCCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000876707662 597296235 /nfs/dbraw/zinc/29/62/35/597296235.db2.gz NMNCGPLSCHFKMT-AWEZNQCLSA-N 2 2 345.365 1.544 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876718049 597303054 /nfs/dbraw/zinc/30/30/54/597303054.db2.gz NFPXBSFQNKHUKK-GDBMZVCRSA-N 2 2 344.459 1.386 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000875152524 597304358 /nfs/dbraw/zinc/30/43/58/597304358.db2.gz SGABTIJZMNZKTE-CVEARBPZSA-N 2 2 329.448 1.670 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000875152524 597304361 /nfs/dbraw/zinc/30/43/61/597304361.db2.gz SGABTIJZMNZKTE-CVEARBPZSA-N 2 2 329.448 1.670 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000876742532 597317146 /nfs/dbraw/zinc/31/71/46/597317146.db2.gz YCUWGWLDYBNSFD-MRXNPFEDSA-N 2 2 343.427 1.902 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000876748627 597320381 /nfs/dbraw/zinc/32/03/81/597320381.db2.gz BZZKPDVHFRUYPP-UHFFFAOYSA-N 2 2 329.444 1.569 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H](F)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000876781369 597338337 /nfs/dbraw/zinc/33/83/37/597338337.db2.gz GVOADVYLYCJSBC-DOTOQJQBSA-N 2 2 334.439 1.320 20 0 EDADLP [NH3+]Cc1cc(NC(=O)/C=C\C[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000876833141 597353638 /nfs/dbraw/zinc/35/36/38/597353638.db2.gz FGQHZWZHICDJHF-UPHRSURJSA-N 2 2 343.349 1.991 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876996410 597407118 /nfs/dbraw/zinc/40/71/18/597407118.db2.gz SXJMDAYROPSJFW-HNNXBMFYSA-N 2 2 338.883 1.955 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876996410 597407121 /nfs/dbraw/zinc/40/71/21/597407121.db2.gz SXJMDAYROPSJFW-HNNXBMFYSA-N 2 2 338.883 1.955 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000877249908 597479532 /nfs/dbraw/zinc/47/95/32/597479532.db2.gz YOQLJAGATVGEJY-KURKYZTESA-N 2 2 349.450 1.260 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000877249908 597479533 /nfs/dbraw/zinc/47/95/33/597479533.db2.gz YOQLJAGATVGEJY-KURKYZTESA-N 2 2 349.450 1.260 20 0 EDADLP CCOC(=O)c1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)n1 ZINC000877746705 597552748 /nfs/dbraw/zinc/55/27/48/597552748.db2.gz GXXQQJHJGHOICN-UHFFFAOYSA-N 2 2 346.475 1.470 20 0 EDADLP CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877751516 597553034 /nfs/dbraw/zinc/55/30/34/597553034.db2.gz CLEIDZGAYAGETQ-GOSISDBHSA-N 2 2 348.487 1.990 20 0 EDADLP CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877751516 597553035 /nfs/dbraw/zinc/55/30/35/597553035.db2.gz CLEIDZGAYAGETQ-GOSISDBHSA-N 2 2 348.487 1.990 20 0 EDADLP COc1ccccc1C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000877973980 597567418 /nfs/dbraw/zinc/56/74/18/597567418.db2.gz IMGYVYDFEWDWDL-UHFFFAOYSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccccc1C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000877973980 597567419 /nfs/dbraw/zinc/56/74/19/597567419.db2.gz IMGYVYDFEWDWDL-UHFFFAOYSA-N 2 2 331.460 1.870 20 0 EDADLP C([C@H]1CCC2(CCOCC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878552345 597632765 /nfs/dbraw/zinc/63/27/65/597632765.db2.gz NZRVAIHGXVZYKS-ZWKOTPCHSA-N 2 2 338.492 1.901 20 0 EDADLP C([C@H]1CCC2(CCOCC2)O1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878552345 597632767 /nfs/dbraw/zinc/63/27/67/597632767.db2.gz NZRVAIHGXVZYKS-ZWKOTPCHSA-N 2 2 338.492 1.901 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCN1c1cc[nH+]cc1 ZINC000881631555 597665377 /nfs/dbraw/zinc/66/53/77/597665377.db2.gz ZPZYMUVNDUPNQM-LSDHHAIUSA-N 2 2 325.416 1.578 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(F)CC3)CC2)CC1 ZINC000883248093 597693188 /nfs/dbraw/zinc/69/31/88/597693188.db2.gz HKKFFFGGBJSHGM-UHFFFAOYSA-N 2 2 326.460 1.689 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@H]3CC(C)(C)CO3)C2)CC1 ZINC000878823690 597724219 /nfs/dbraw/zinc/72/42/19/597724219.db2.gz DKIUXLZCJPNMTP-RDJZCZTQSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[C@H]3CC(C)(C)CO3)C2)CC1 ZINC000878823690 597724221 /nfs/dbraw/zinc/72/42/21/597724221.db2.gz DKIUXLZCJPNMTP-RDJZCZTQSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1cnc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000878823860 597724285 /nfs/dbraw/zinc/72/42/85/597724285.db2.gz KGGIMWCSBFMGOQ-ZDUSSCGKSA-N 2 2 336.867 1.942 20 0 EDADLP Cc1cnc(Cl)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000878823860 597724287 /nfs/dbraw/zinc/72/42/87/597724287.db2.gz KGGIMWCSBFMGOQ-ZDUSSCGKSA-N 2 2 336.867 1.942 20 0 EDADLP Cc1csc(CC2(O)CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000878926997 597758210 /nfs/dbraw/zinc/75/82/10/597758210.db2.gz RQOGCWPZJKALAY-HNNXBMFYSA-N 2 2 339.505 1.278 20 0 EDADLP COCC[N@@H+](Cc1csc(NC(C)=O)n1)CC1CC[NH+](C)CC1 ZINC000879124344 597826432 /nfs/dbraw/zinc/82/64/32/597826432.db2.gz UGHIDFICOCHUOI-UHFFFAOYSA-N 2 2 340.493 1.892 20 0 EDADLP COCC[N@H+](Cc1csc(NC(C)=O)n1)CC1CC[NH+](C)CC1 ZINC000879124344 597826434 /nfs/dbraw/zinc/82/64/34/597826434.db2.gz UGHIDFICOCHUOI-UHFFFAOYSA-N 2 2 340.493 1.892 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064267 597828291 /nfs/dbraw/zinc/82/82/91/597828291.db2.gz LOQLIRHWLOXKGL-AAEUAGOBSA-N 2 2 337.386 1.239 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064267 597828295 /nfs/dbraw/zinc/82/82/95/597828295.db2.gz LOQLIRHWLOXKGL-AAEUAGOBSA-N 2 2 337.386 1.239 20 0 EDADLP CC[N@H+](CCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2)C(C)C ZINC000882103703 597869456 /nfs/dbraw/zinc/86/94/56/597869456.db2.gz ZIRSWIZQVIKBSE-UHFFFAOYSA-N 2 2 339.505 1.683 20 0 EDADLP CC[N@@H+](CCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2)C(C)C ZINC000882103703 597869458 /nfs/dbraw/zinc/86/94/58/597869458.db2.gz ZIRSWIZQVIKBSE-UHFFFAOYSA-N 2 2 339.505 1.683 20 0 EDADLP CC[NH+](CCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C(C)C ZINC000882103703 597869461 /nfs/dbraw/zinc/86/94/61/597869461.db2.gz ZIRSWIZQVIKBSE-UHFFFAOYSA-N 2 2 339.505 1.683 20 0 EDADLP CC[NH+](CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C(C)C ZINC000882103703 597869464 /nfs/dbraw/zinc/86/94/64/597869464.db2.gz ZIRSWIZQVIKBSE-UHFFFAOYSA-N 2 2 339.505 1.683 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000880255025 597884604 /nfs/dbraw/zinc/88/46/04/597884604.db2.gz XIILCJMXXHVESK-MRXNPFEDSA-N 2 2 335.492 1.894 20 0 EDADLP CC(C)[NH+]1CCC(CCNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000882478106 597970068 /nfs/dbraw/zinc/97/00/68/597970068.db2.gz PAYLIALKEWVDNP-UHFFFAOYSA-N 2 2 328.482 1.313 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(-c2ncc[nH]2)n1 ZINC000880669835 597992327 /nfs/dbraw/zinc/99/23/27/597992327.db2.gz JDRBRHRTLWAQCX-UHFFFAOYSA-N 2 2 336.465 1.147 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(-c2ncc[nH]2)n1 ZINC000880669835 597992328 /nfs/dbraw/zinc/99/23/28/597992328.db2.gz JDRBRHRTLWAQCX-UHFFFAOYSA-N 2 2 336.465 1.147 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(C4CC4)no3)C2)CC1 ZINC000884163878 598011810 /nfs/dbraw/zinc/01/18/10/598011810.db2.gz RKMPPWIDXKBMOD-CQSZACIVSA-N 2 2 347.463 1.520 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cc(C4CC4)no3)C2)CC1 ZINC000884163878 598011813 /nfs/dbraw/zinc/01/18/13/598011813.db2.gz RKMPPWIDXKBMOD-CQSZACIVSA-N 2 2 347.463 1.520 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884185378 598018344 /nfs/dbraw/zinc/01/83/44/598018344.db2.gz UTYQBXLISAQDFP-KRWDZBQOSA-N 2 2 345.443 1.483 20 0 EDADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000884199965 598026578 /nfs/dbraw/zinc/02/65/78/598026578.db2.gz PHXPBPRDHQWCIV-PBHICJAKSA-N 2 2 343.537 1.320 20 0 EDADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412158 598097338 /nfs/dbraw/zinc/09/73/38/598097338.db2.gz KCEDYBGUZZEBCJ-DLBZAZTESA-N 3 2 338.540 1.623 20 0 EDADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412158 598097341 /nfs/dbraw/zinc/09/73/41/598097341.db2.gz KCEDYBGUZZEBCJ-DLBZAZTESA-N 3 2 338.540 1.623 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939861177 699984732 /nfs/dbraw/zinc/98/47/32/699984732.db2.gz NFLWLCGUUVEJIK-DOTOQJQBSA-N 2 2 342.443 1.837 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069711779 699995435 /nfs/dbraw/zinc/99/54/35/699995435.db2.gz MXTURKPFTXWSGO-QGZVFWFLSA-N 2 2 334.464 1.543 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)[C@@H]2C1 ZINC000992861132 695419342 /nfs/dbraw/zinc/41/93/42/695419342.db2.gz VCPHRYHLBLDBLH-CGTJXYLNSA-N 2 2 330.476 1.979 20 0 EDADLP Cc1ccc(F)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c1 ZINC000939855633 699993629 /nfs/dbraw/zinc/99/36/29/699993629.db2.gz FGLGFYZTSHNXDW-PBHICJAKSA-N 2 2 330.407 1.967 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)cc1 ZINC001031103974 695528808 /nfs/dbraw/zinc/52/88/08/695528808.db2.gz BDJXUJLFNDRTTP-SFHVURJKSA-N 2 2 345.487 1.977 20 0 EDADLP CCc1ccc([C@@H](O)C[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001031266634 696079141 /nfs/dbraw/zinc/07/91/41/696079141.db2.gz XKUPZMXEPHUMHE-SFHVURJKSA-N 2 2 343.471 1.179 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)no1 ZINC000993765688 696362975 /nfs/dbraw/zinc/36/29/75/696362975.db2.gz VFAKFCQOMFEZFR-YOEHRIQHSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)no1 ZINC000993765688 696362977 /nfs/dbraw/zinc/36/29/77/696362977.db2.gz VFAKFCQOMFEZFR-YOEHRIQHSA-N 2 2 334.464 1.794 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000993869812 696443799 /nfs/dbraw/zinc/44/37/99/696443799.db2.gz HJZWFJZELYWWJT-GDBMZVCRSA-N 2 2 347.463 1.036 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000993869812 696443801 /nfs/dbraw/zinc/44/38/01/696443801.db2.gz HJZWFJZELYWWJT-GDBMZVCRSA-N 2 2 347.463 1.036 20 0 EDADLP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)s1 ZINC000994207899 696581253 /nfs/dbraw/zinc/58/12/53/696581253.db2.gz KMNGJVUUPXYDHF-WBMJQRKESA-N 2 2 347.488 1.897 20 0 EDADLP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)s1 ZINC000994207899 696581254 /nfs/dbraw/zinc/58/12/54/696581254.db2.gz KMNGJVUUPXYDHF-WBMJQRKESA-N 2 2 347.488 1.897 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994208957 696582043 /nfs/dbraw/zinc/58/20/43/696582043.db2.gz NFBMLPXJSBDXSQ-WMLDXEAASA-N 2 2 344.463 1.174 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994208957 696582046 /nfs/dbraw/zinc/58/20/46/696582046.db2.gz NFBMLPXJSBDXSQ-WMLDXEAASA-N 2 2 344.463 1.174 20 0 EDADLP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)c(C)o1 ZINC000994421533 696842888 /nfs/dbraw/zinc/84/28/88/696842888.db2.gz MHZWFYFUBBCYOE-LRDDRELGSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)c(C)o1 ZINC000994421533 696842892 /nfs/dbraw/zinc/84/28/92/696842892.db2.gz MHZWFYFUBBCYOE-LRDDRELGSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1ccccc1C(=O)NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000917009159 696875807 /nfs/dbraw/zinc/87/58/07/696875807.db2.gz ZLEPBWPDMXVDKR-GOSISDBHSA-N 2 2 345.487 1.646 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](Cc2cccc3c2CCOC3)C1 ZINC001031392160 697015718 /nfs/dbraw/zinc/01/57/18/697015718.db2.gz YMHLODXYXPYLAX-UHFFFAOYSA-N 2 2 340.427 1.265 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000917571288 697040872 /nfs/dbraw/zinc/04/08/72/697040872.db2.gz UAUKVEJGDFZNPD-GFCCVEGCSA-N 2 2 325.482 1.346 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000917571288 697040874 /nfs/dbraw/zinc/04/08/74/697040874.db2.gz UAUKVEJGDFZNPD-GFCCVEGCSA-N 2 2 325.482 1.346 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@]3(C)CCCCO3)C2)CC1 ZINC000918906131 697222498 /nfs/dbraw/zinc/22/24/98/697222498.db2.gz LUUFDOCAWSOOGK-CRAIPNDOSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@]3(C)CCCCO3)C2)CC1 ZINC000918906131 697222499 /nfs/dbraw/zinc/22/24/99/697222499.db2.gz LUUFDOCAWSOOGK-CRAIPNDOSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000918907164 697222757 /nfs/dbraw/zinc/22/27/57/697222757.db2.gz VJGLOPGDFMZBBL-RBSFLKMASA-N 2 2 340.537 1.738 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000918907164 697222758 /nfs/dbraw/zinc/22/27/58/697222758.db2.gz VJGLOPGDFMZBBL-RBSFLKMASA-N 2 2 340.537 1.738 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000919341669 697271309 /nfs/dbraw/zinc/27/13/09/697271309.db2.gz OSNRJORYZDQVNT-IRXDYDNUSA-N 2 2 337.489 1.227 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000919341669 697271310 /nfs/dbraw/zinc/27/13/10/697271310.db2.gz OSNRJORYZDQVNT-IRXDYDNUSA-N 2 2 337.489 1.227 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cc4ccccc4o3)C2)C1 ZINC001031595406 697293528 /nfs/dbraw/zinc/29/35/28/697293528.db2.gz XBFDLTSZDKNIRE-GOSISDBHSA-N 2 2 343.427 1.311 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cc4ccccc4o3)C2)C1 ZINC001031595406 697293530 /nfs/dbraw/zinc/29/35/30/697293530.db2.gz XBFDLTSZDKNIRE-GOSISDBHSA-N 2 2 343.427 1.311 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000995033411 700151045 /nfs/dbraw/zinc/15/10/45/700151045.db2.gz AGBIRHWLSVCLHO-GJZGRUSLSA-N 2 2 331.420 1.563 20 0 EDADLP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000921231684 697535160 /nfs/dbraw/zinc/53/51/60/697535160.db2.gz BDJDHPXRIORZFU-BDXSIMOUSA-N 2 2 325.497 1.017 20 0 EDADLP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000921231684 697535161 /nfs/dbraw/zinc/53/51/61/697535161.db2.gz BDJDHPXRIORZFU-BDXSIMOUSA-N 2 2 325.497 1.017 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C[N@@H+]1C1CC1 ZINC000921382664 697581384 /nfs/dbraw/zinc/58/13/84/697581384.db2.gz HMNHROUJQUZPJR-VXGBXAGGSA-N 2 2 337.493 1.629 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C[N@H+]1C1CC1 ZINC000921382664 697581387 /nfs/dbraw/zinc/58/13/87/697581387.db2.gz HMNHROUJQUZPJR-VXGBXAGGSA-N 2 2 337.493 1.629 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000921406680 697594832 /nfs/dbraw/zinc/59/48/32/697594832.db2.gz MSSDZBZJDAANDJ-YPMHNXCESA-N 2 2 325.482 1.344 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000921406680 697594833 /nfs/dbraw/zinc/59/48/33/697594833.db2.gz MSSDZBZJDAANDJ-YPMHNXCESA-N 2 2 325.482 1.344 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)c1 ZINC000943179022 697876528 /nfs/dbraw/zinc/87/65/28/697876528.db2.gz WLWXASQXOQQQJL-KBXCAEBGSA-N 2 2 342.443 1.988 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)c1 ZINC000943179022 697876533 /nfs/dbraw/zinc/87/65/33/697876533.db2.gz WLWXASQXOQQQJL-KBXCAEBGSA-N 2 2 342.443 1.988 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC000995036557 700188677 /nfs/dbraw/zinc/18/86/77/700188677.db2.gz LKCIEYBKZHZVTK-HZPDHXFCSA-N 2 2 342.447 1.365 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354359494 698418268 /nfs/dbraw/zinc/41/82/68/698418268.db2.gz DHECZIOPCUKSCO-OALUTQOASA-N 2 2 349.519 1.678 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354359494 698418269 /nfs/dbraw/zinc/41/82/69/698418269.db2.gz DHECZIOPCUKSCO-OALUTQOASA-N 2 2 349.519 1.678 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000354359494 698418270 /nfs/dbraw/zinc/41/82/70/698418270.db2.gz DHECZIOPCUKSCO-OALUTQOASA-N 2 2 349.519 1.678 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000354359494 698418272 /nfs/dbraw/zinc/41/82/72/698418272.db2.gz DHECZIOPCUKSCO-OALUTQOASA-N 2 2 349.519 1.678 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)C[C@@H]2C)CC1 ZINC000943756313 698831085 /nfs/dbraw/zinc/83/10/85/698831085.db2.gz OGXGAEIZVUXFOX-DLBZAZTESA-N 2 2 347.507 1.479 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)C[C@@H]2C)CC1 ZINC000943756313 698831089 /nfs/dbraw/zinc/83/10/89/698831089.db2.gz OGXGAEIZVUXFOX-DLBZAZTESA-N 2 2 347.507 1.479 20 0 EDADLP Cc1ncsc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995151839 701552103 /nfs/dbraw/zinc/55/21/03/701552103.db2.gz JCCUAYWMYHRKEI-CHWSQXEVSA-N 2 2 333.461 1.792 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154822 701556795 /nfs/dbraw/zinc/55/67/95/701556795.db2.gz TYRGJUIMRYHMJH-KGLIPLIRSA-N 2 2 345.451 1.199 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](C/C=C/c3ccccc3)C2)O1 ZINC001031765885 699059087 /nfs/dbraw/zinc/05/90/87/699059087.db2.gz SSOAIWGMAQRUCY-CSZITXDSSA-N 2 2 343.471 1.467 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](C/C=C/c3ccccc3)C2)O1 ZINC001031765885 699059088 /nfs/dbraw/zinc/05/90/88/699059088.db2.gz SSOAIWGMAQRUCY-CSZITXDSSA-N 2 2 343.471 1.467 20 0 EDADLP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC001031776330 699154034 /nfs/dbraw/zinc/15/40/34/699154034.db2.gz IEPGAWDTUDUXJF-OAHLLOKOSA-N 2 2 334.464 1.578 20 0 EDADLP CCc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC001031776330 699154035 /nfs/dbraw/zinc/15/40/35/699154035.db2.gz IEPGAWDTUDUXJF-OAHLLOKOSA-N 2 2 334.464 1.578 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031778588 699178100 /nfs/dbraw/zinc/17/81/00/699178100.db2.gz QFPDKUJNBORIOZ-AEFFLSMTSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cscn2)C1 ZINC000995159836 701573417 /nfs/dbraw/zinc/57/34/17/701573417.db2.gz KJWFLGKOUZIKJQ-CHWSQXEVSA-N 2 2 333.461 1.494 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784201 699214543 /nfs/dbraw/zinc/21/45/43/699214543.db2.gz NLOBBDJGKCPKEO-WBVHZDCISA-N 2 2 332.448 1.063 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CCC(F)(F)F)C2)no1 ZINC001031799445 699326356 /nfs/dbraw/zinc/32/63/56/699326356.db2.gz FTJZBVOZGWIIIG-UHFFFAOYSA-N 2 2 334.342 1.350 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939211195 699359403 /nfs/dbraw/zinc/35/94/03/699359403.db2.gz RCLZADCZXABIHF-XHDPSFHLSA-N 2 2 331.420 1.448 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939212639 699361550 /nfs/dbraw/zinc/36/15/50/699361550.db2.gz ZWJLOVHDBCRPLU-CXAGYDPISA-N 2 2 328.416 1.081 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)o1 ZINC000939398888 699548097 /nfs/dbraw/zinc/54/80/97/699548097.db2.gz SOOXHDIGLZAFSB-NVXWUHKLSA-N 2 2 348.491 1.905 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939410131 699564436 /nfs/dbraw/zinc/56/44/36/699564436.db2.gz XZJVPEAYNCSKDA-IAQYHMDHSA-N 2 2 334.370 1.867 20 0 EDADLP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939533983 699672115 /nfs/dbraw/zinc/67/21/15/699672115.db2.gz HKGQETIOQHYEGW-WMLDXEAASA-N 2 2 327.432 1.303 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCc1ccccc1 ZINC000939534109 699672406 /nfs/dbraw/zinc/67/24/06/699672406.db2.gz HSOAZIXKSXNHRO-CRAIPNDOSA-N 2 2 326.444 1.642 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cc1 ZINC000939534389 699675201 /nfs/dbraw/zinc/67/52/01/699675201.db2.gz JSKPNSYEFRVEBP-KSSFIOAISA-N 2 2 342.443 1.608 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939534564 699675526 /nfs/dbraw/zinc/67/55/26/699675526.db2.gz LSYLPRBXIOLGIN-SWLSCSKDSA-N 2 2 347.850 1.648 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)o1 ZINC000939550485 699699530 /nfs/dbraw/zinc/69/95/30/699699530.db2.gz LAYMLQYKQKBQEF-RISCZKNCSA-N 2 2 344.419 1.089 20 0 EDADLP CCn1cc(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)cn1 ZINC000939628535 699765929 /nfs/dbraw/zinc/76/59/29/699765929.db2.gz ZUZVNBZTQWWPJT-GUYCJALGSA-N 2 2 344.463 1.156 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccccn2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001031838129 699800958 /nfs/dbraw/zinc/80/09/58/699800958.db2.gz MXPWNGSMUYQHOP-UHFFFAOYSA-N 2 2 348.410 1.524 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC000939747437 699894001 /nfs/dbraw/zinc/89/40/01/699894001.db2.gz LCRZUMQXYZSQRR-GXTWGEPZSA-N 2 2 346.435 1.335 20 0 EDADLP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031876021 700396253 /nfs/dbraw/zinc/39/62/53/700396253.db2.gz ILXNMYIWIFUQMS-YJBOKZPZSA-N 2 2 337.508 1.581 20 0 EDADLP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031876021 700396258 /nfs/dbraw/zinc/39/62/58/700396258.db2.gz ILXNMYIWIFUQMS-YJBOKZPZSA-N 2 2 337.508 1.581 20 0 EDADLP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243261 700404372 /nfs/dbraw/zinc/40/43/72/700404372.db2.gz JBQZXOYQKDIDJH-UHFFFAOYSA-N 2 2 331.420 1.741 20 0 EDADLP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000940352847 700536555 /nfs/dbraw/zinc/53/65/55/700536555.db2.gz BTQFDJOHYOLOIX-UHFFFAOYSA-N 2 2 346.435 1.630 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@]23CCOC3)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397342 700594368 /nfs/dbraw/zinc/59/43/68/700594368.db2.gz KMOBMDJGEPQCMH-KSSFIOAISA-N 2 2 332.448 1.350 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nn1C ZINC000940397478 700594737 /nfs/dbraw/zinc/59/47/37/700594737.db2.gz MLPTWDJAWWWKEJ-UHFFFAOYSA-N 2 2 330.436 1.165 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940426475 700620096 /nfs/dbraw/zinc/62/00/96/700620096.db2.gz RZPREVSMCFTWJY-UHFFFAOYSA-N 2 2 333.461 1.590 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2cnc(C)nc2)CC1 ZINC000940441539 700643106 /nfs/dbraw/zinc/64/31/06/700643106.db2.gz MECVDENKBYRKFA-UHFFFAOYSA-N 2 2 342.447 1.530 20 0 EDADLP CC1([NH2+]Cc2cncc(F)c2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482803 700670598 /nfs/dbraw/zinc/67/05/98/700670598.db2.gz SBNLHEYQTYKKJR-UHFFFAOYSA-N 2 2 331.395 1.588 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)CC[N@@H+]1C ZINC000940756580 700892067 /nfs/dbraw/zinc/89/20/67/700892067.db2.gz CEAAOSDMFSHPNF-XHSDSOJGSA-N 2 2 349.479 1.517 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)CC[N@H+]1C ZINC000940756580 700892068 /nfs/dbraw/zinc/89/20/68/700892068.db2.gz CEAAOSDMFSHPNF-XHSDSOJGSA-N 2 2 349.479 1.517 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC2(C)C)CC[NH+]1C ZINC000940756580 700892069 /nfs/dbraw/zinc/89/20/69/700892069.db2.gz CEAAOSDMFSHPNF-XHSDSOJGSA-N 2 2 349.479 1.517 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)CC[NH+]1C ZINC000940756580 700892070 /nfs/dbraw/zinc/89/20/70/700892070.db2.gz CEAAOSDMFSHPNF-XHSDSOJGSA-N 2 2 349.479 1.517 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851550 700952296 /nfs/dbraw/zinc/95/22/96/700952296.db2.gz YEARAIFGCSSTEF-GOEBONIOSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851550 700952298 /nfs/dbraw/zinc/95/22/98/700952298.db2.gz YEARAIFGCSSTEF-GOEBONIOSA-N 2 2 334.464 1.309 20 0 EDADLP CCc1noc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995112544 701013409 /nfs/dbraw/zinc/01/34/09/701013409.db2.gz DNGSZBAYMKPSDQ-ZIAGYGMSSA-N 2 2 345.447 1.886 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccnn3C)C2)C1 ZINC001031918382 701031802 /nfs/dbraw/zinc/03/18/02/701031802.db2.gz JJWBELUJLGFGBK-INIZCTEOSA-N 2 2 333.480 1.090 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccnn3C)C2)C1 ZINC001031918382 701031804 /nfs/dbraw/zinc/03/18/04/701031804.db2.gz JJWBELUJLGFGBK-INIZCTEOSA-N 2 2 333.480 1.090 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[N@H+](CCF)CC1(C)C)CC2 ZINC000940988077 701041935 /nfs/dbraw/zinc/04/19/35/701041935.db2.gz QWWDDGOPTSHWLF-GDBMZVCRSA-N 2 2 336.455 1.940 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCF)CC1(C)C)CC2 ZINC000940988077 701041936 /nfs/dbraw/zinc/04/19/36/701041936.db2.gz QWWDDGOPTSHWLF-GDBMZVCRSA-N 2 2 336.455 1.940 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000941032961 701075143 /nfs/dbraw/zinc/07/51/43/701075143.db2.gz KKDKMISQKQXDTI-CVEARBPZSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000941032961 701075146 /nfs/dbraw/zinc/07/51/46/701075146.db2.gz KKDKMISQKQXDTI-CVEARBPZSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000941032961 701075149 /nfs/dbraw/zinc/07/51/49/701075149.db2.gz KKDKMISQKQXDTI-CVEARBPZSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000941032961 701075151 /nfs/dbraw/zinc/07/51/51/701075151.db2.gz KKDKMISQKQXDTI-CVEARBPZSA-N 2 2 345.491 1.678 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCOC2)CC1(C)C ZINC000941166356 701377384 /nfs/dbraw/zinc/37/73/84/701377384.db2.gz GHICPKRRKRHFCR-WBVHZDCISA-N 2 2 348.491 1.606 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)CC1(C)C ZINC000941166356 701377385 /nfs/dbraw/zinc/37/73/85/701377385.db2.gz GHICPKRRKRHFCR-WBVHZDCISA-N 2 2 348.491 1.606 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC000941167030 701378173 /nfs/dbraw/zinc/37/81/73/701378173.db2.gz PBOAJRMYCSZOBQ-IRXDYDNUSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC000941167030 701378174 /nfs/dbraw/zinc/37/81/74/701378174.db2.gz PBOAJRMYCSZOBQ-IRXDYDNUSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1noc([C@H](C)[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941214926 701401219 /nfs/dbraw/zinc/40/12/19/701401219.db2.gz HDLDORQOXZFCHH-ZFWWWQNUSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1noc([C@H](C)[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941214926 701401220 /nfs/dbraw/zinc/40/12/20/701401220.db2.gz HDLDORQOXZFCHH-ZFWWWQNUSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247721 701424532 /nfs/dbraw/zinc/42/45/32/701424532.db2.gz QBGDUYPUFIPKMH-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247721 701424534 /nfs/dbraw/zinc/42/45/34/701424534.db2.gz QBGDUYPUFIPKMH-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)[NH+](C)C ZINC000941386331 701510638 /nfs/dbraw/zinc/51/06/38/701510638.db2.gz IIFULDSQNCVZFU-CZUORRHYSA-N 2 2 343.431 1.234 20 0 EDADLP CC[C@H](F)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941460325 701544287 /nfs/dbraw/zinc/54/42/87/701544287.db2.gz PNDGCBVZFLWGBH-RDJZCZTQSA-N 2 2 340.487 1.047 20 0 EDADLP CC[C@H](F)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941460325 701544288 /nfs/dbraw/zinc/54/42/88/701544288.db2.gz PNDGCBVZFLWGBH-RDJZCZTQSA-N 2 2 340.487 1.047 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nccs2)C1 ZINC000995172234 701709641 /nfs/dbraw/zinc/70/96/41/701709641.db2.gz YMPBMSCLDKUNFY-QWHCGFSZSA-N 2 2 333.461 1.494 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001032128827 701800340 /nfs/dbraw/zinc/80/03/40/701800340.db2.gz LCPOQQACLVKSIB-QAPCUYQASA-N 2 2 348.466 1.889 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CCC(F)(F)F)C1 ZINC001032133676 701888935 /nfs/dbraw/zinc/88/89/35/701888935.db2.gz JPUSCPUNLFGHIP-UHFFFAOYSA-N 2 2 330.354 1.762 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)ns2)C1 ZINC001032205538 702063094 /nfs/dbraw/zinc/06/30/94/702063094.db2.gz BBMQKNCDROKLKK-INIZCTEOSA-N 2 2 336.505 1.874 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)ns2)C1 ZINC001032205538 702063103 /nfs/dbraw/zinc/06/31/03/702063103.db2.gz BBMQKNCDROKLKK-INIZCTEOSA-N 2 2 336.505 1.874 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2nccnc2C)C1 ZINC001032206006 702122127 /nfs/dbraw/zinc/12/21/27/702122127.db2.gz PBMPCSQIOKKIOI-QGZVFWFLSA-N 2 2 331.464 1.207 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2nccnc2C)C1 ZINC001032206006 702122130 /nfs/dbraw/zinc/12/21/30/702122130.db2.gz PBMPCSQIOKKIOI-QGZVFWFLSA-N 2 2 331.464 1.207 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)nc2)C1 ZINC001032206219 702133783 /nfs/dbraw/zinc/13/37/83/702133783.db2.gz VHJNFFURSYGDJP-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)nc2)C1 ZINC001032206219 702133788 /nfs/dbraw/zinc/13/37/88/702133788.db2.gz VHJNFFURSYGDJP-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2csnn2)C(C)(C)C1)C1CC1 ZINC000995895011 702198497 /nfs/dbraw/zinc/19/84/97/702198497.db2.gz LMERSTHJCWXVIE-ZIAGYGMSSA-N 2 2 337.493 1.205 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)C1 ZINC000995188885 702224489 /nfs/dbraw/zinc/22/44/89/702224489.db2.gz YLMAVQMOGPRZQB-RYUDHWBXSA-N 2 2 334.449 1.187 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995888075 702226698 /nfs/dbraw/zinc/22/66/98/702226698.db2.gz RHXVBFACQCQXKL-OCCSQVGLSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918488 702237835 /nfs/dbraw/zinc/23/78/35/702237835.db2.gz NVGFFESAUVDQGH-SWLSCSKDSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918488 702237840 /nfs/dbraw/zinc/23/78/40/702237840.db2.gz NVGFFESAUVDQGH-SWLSCSKDSA-N 2 2 349.479 1.750 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCc2ccccc2)C1 ZINC001031982826 702243809 /nfs/dbraw/zinc/24/38/09/702243809.db2.gz FJQZVRDCDCEEKU-QZTJIDSGSA-N 2 2 338.455 1.814 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097612 702263460 /nfs/dbraw/zinc/26/34/60/702263460.db2.gz IRIRFFQAFGIXLT-SUMWQHHRSA-N 2 2 345.422 1.524 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097612 702263464 /nfs/dbraw/zinc/26/34/64/702263464.db2.gz IRIRFFQAFGIXLT-SUMWQHHRSA-N 2 2 345.422 1.524 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942053336 702483630 /nfs/dbraw/zinc/48/36/30/702483630.db2.gz NQBFCOVQFBRKIN-GOEBONIOSA-N 2 2 349.479 1.661 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942053336 702483634 /nfs/dbraw/zinc/48/36/34/702483634.db2.gz NQBFCOVQFBRKIN-GOEBONIOSA-N 2 2 349.479 1.661 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996104648 702518861 /nfs/dbraw/zinc/51/88/61/702518861.db2.gz DETLQDIPYFXCIT-MRXNPFEDSA-N 2 2 342.447 1.398 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996077457 702525636 /nfs/dbraw/zinc/52/56/36/702525636.db2.gz ZQQCZMSUYUKTHU-INIZCTEOSA-N 2 2 341.459 1.775 20 0 EDADLP C[C@H]([NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C)c1cnccn1 ZINC000996106672 702529302 /nfs/dbraw/zinc/52/93/02/702529302.db2.gz PDBJZDOWVIZITH-HOCLYGCPSA-N 2 2 342.447 1.651 20 0 EDADLP CC[C@@H]([NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1)C(N)=O ZINC000996514181 702832850 /nfs/dbraw/zinc/83/28/50/702832850.db2.gz OZCVLMUEXXJTJV-OAHLLOKOSA-N 2 2 343.431 1.101 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996562389 702876057 /nfs/dbraw/zinc/87/60/57/702876057.db2.gz KNUNSKWYINRTMJ-OAHLLOKOSA-N 2 2 344.463 1.504 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1 ZINC000996560682 702879075 /nfs/dbraw/zinc/87/90/75/702879075.db2.gz DJOCVOGEGWHZOH-MRXNPFEDSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC000996565104 702886522 /nfs/dbraw/zinc/88/65/22/702886522.db2.gz XAYMKNXKVHIHLP-ZBFHGGJFSA-N 2 2 348.491 1.902 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nc(C4CC4)no3)C(C)(C)C2)C1 ZINC000996608189 702911332 /nfs/dbraw/zinc/91/13/32/702911332.db2.gz GQUPRNHBZSZGQA-KGLIPLIRSA-N 2 2 347.463 1.225 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nc(C4CC4)no3)C(C)(C)C2)C1 ZINC000996608189 702911335 /nfs/dbraw/zinc/91/13/35/702911335.db2.gz GQUPRNHBZSZGQA-KGLIPLIRSA-N 2 2 347.463 1.225 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996611774 702917042 /nfs/dbraw/zinc/91/70/42/702917042.db2.gz PCPBHADFPPRUNY-CQSZACIVSA-N 2 2 349.479 1.615 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1cccc(F)c1 ZINC001032315617 702977866 /nfs/dbraw/zinc/97/78/66/702977866.db2.gz RPGOIIWHJOYTRO-XYJFISCASA-N 2 2 347.434 1.584 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1cccc(F)c1 ZINC001032315617 702977870 /nfs/dbraw/zinc/97/78/70/702977870.db2.gz RPGOIIWHJOYTRO-XYJFISCASA-N 2 2 347.434 1.584 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1cccc(F)c1 ZINC001032315617 702977873 /nfs/dbraw/zinc/97/78/73/702977873.db2.gz RPGOIIWHJOYTRO-XYJFISCASA-N 2 2 347.434 1.584 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1cccc(F)c1 ZINC001032315617 702977876 /nfs/dbraw/zinc/97/78/76/702977876.db2.gz RPGOIIWHJOYTRO-XYJFISCASA-N 2 2 347.434 1.584 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996680028 702978993 /nfs/dbraw/zinc/97/89/93/702978993.db2.gz SCSVBWGTMHFSIL-AWEZNQCLSA-N 2 2 346.460 1.393 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000995255214 703009010 /nfs/dbraw/zinc/00/90/10/703009010.db2.gz WIVFPVSBMXKSKY-GOEBONIOSA-N 2 2 328.420 1.056 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996714715 703009777 /nfs/dbraw/zinc/00/97/77/703009777.db2.gz FUAYZIFRDSXDDV-QGZVFWFLSA-N 2 2 347.459 1.782 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996717303 703015917 /nfs/dbraw/zinc/01/59/17/703015917.db2.gz SMJUPCRODHSEQA-HNNXBMFYSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)no1 ZINC000996733072 703029807 /nfs/dbraw/zinc/02/98/07/703029807.db2.gz RCORPEZWZPJAIH-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996740888 703036028 /nfs/dbraw/zinc/03/60/28/703036028.db2.gz VTNCOTPLVKIMKI-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996759116 703047826 /nfs/dbraw/zinc/04/78/26/703047826.db2.gz PXLINKAYGUDNFM-YJBOKZPZSA-N 2 2 346.475 1.595 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996760601 703049015 /nfs/dbraw/zinc/04/90/15/703049015.db2.gz UUTMEVILKBSSFF-MAUKXSAKSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000942555422 703068932 /nfs/dbraw/zinc/06/89/32/703068932.db2.gz JWZWANUIYDEHSF-ZFWWWQNUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000942555422 703068935 /nfs/dbraw/zinc/06/89/35/703068935.db2.gz JWZWANUIYDEHSF-ZFWWWQNUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001032331381 703108043 /nfs/dbraw/zinc/10/80/43/703108043.db2.gz BFLRARYPPTWTEB-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001032331381 703108046 /nfs/dbraw/zinc/10/80/46/703108046.db2.gz BFLRARYPPTWTEB-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)c1 ZINC001032331381 703108049 /nfs/dbraw/zinc/10/80/49/703108049.db2.gz BFLRARYPPTWTEB-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)c1 ZINC001032331381 703108054 /nfs/dbraw/zinc/10/80/54/703108054.db2.gz BFLRARYPPTWTEB-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C(F)(F)F ZINC000996845149 703121713 /nfs/dbraw/zinc/12/17/13/703121713.db2.gz HREJGAKEKSLEMC-QWHCGFSZSA-N 2 2 346.397 1.988 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000996860487 703143874 /nfs/dbraw/zinc/14/38/74/703143874.db2.gz SCGRFNNNJZCTDO-MRXNPFEDSA-N 2 2 334.464 1.669 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996863105 703145572 /nfs/dbraw/zinc/14/55/72/703145572.db2.gz HEHYYAKRTFXQMS-IBGZPJMESA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996863105 703145574 /nfs/dbraw/zinc/14/55/74/703145574.db2.gz HEHYYAKRTFXQMS-IBGZPJMESA-N 2 2 349.519 1.868 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996986735 703244612 /nfs/dbraw/zinc/24/46/12/703244612.db2.gz BINLSZFWKJWUSK-HNNXBMFYSA-N 2 2 343.431 1.907 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996991255 703247674 /nfs/dbraw/zinc/24/76/74/703247674.db2.gz QYAMYLNEIIUACK-CQSZACIVSA-N 2 2 329.404 1.598 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000996994604 703251397 /nfs/dbraw/zinc/25/13/97/703251397.db2.gz XYQHUKGRGLWLBB-ROAXPNGRSA-N 2 2 329.872 1.286 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000996994604 703251400 /nfs/dbraw/zinc/25/14/00/703251400.db2.gz XYQHUKGRGLWLBB-ROAXPNGRSA-N 2 2 329.872 1.286 20 0 EDADLP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)n1 ZINC000996995603 703252331 /nfs/dbraw/zinc/25/23/31/703252331.db2.gz LHVDDWJVKAVCAS-OAHLLOKOSA-N 2 2 342.447 1.344 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000997082245 703320961 /nfs/dbraw/zinc/32/09/61/703320961.db2.gz CWWQMEJFTSXOPW-CYBMUJFWSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000997082245 703320963 /nfs/dbraw/zinc/32/09/63/703320963.db2.gz CWWQMEJFTSXOPW-CYBMUJFWSA-N 2 2 342.447 1.468 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnc(C)s2)CC[N@@H+]1C ZINC001032412487 703462250 /nfs/dbraw/zinc/46/22/50/703462250.db2.gz ZKFXGADKUGMGKQ-NXNVCVFFSA-N 2 2 348.516 1.967 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnc(C)s2)CC[N@H+]1C ZINC001032412487 703462251 /nfs/dbraw/zinc/46/22/51/703462251.db2.gz ZKFXGADKUGMGKQ-NXNVCVFFSA-N 2 2 348.516 1.967 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnc(C)s2)CC[NH+]1C ZINC001032412487 703462252 /nfs/dbraw/zinc/46/22/52/703462252.db2.gz ZKFXGADKUGMGKQ-NXNVCVFFSA-N 2 2 348.516 1.967 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnc(C)s2)CC[NH+]1C ZINC001032412487 703462253 /nfs/dbraw/zinc/46/22/53/703462253.db2.gz ZKFXGADKUGMGKQ-NXNVCVFFSA-N 2 2 348.516 1.967 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2nncn2C)CC1 ZINC000997182528 703467648 /nfs/dbraw/zinc/46/76/48/703467648.db2.gz YNDSQXAZRNWQSA-GDBMZVCRSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2nncn2C)CC1 ZINC000997182528 703467650 /nfs/dbraw/zinc/46/76/50/703467650.db2.gz YNDSQXAZRNWQSA-GDBMZVCRSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC000997220633 703498825 /nfs/dbraw/zinc/49/88/25/703498825.db2.gz DPRAXSAMSXQQRT-KSSFIOAISA-N 2 2 332.448 1.268 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nnsc3Cl)CC2)C1 ZINC000997296655 703555430 /nfs/dbraw/zinc/55/54/30/703555430.db2.gz ATBLAKHPCCFGGO-JTQLQIEISA-N 2 2 343.884 1.224 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nnsc3Cl)CC2)C1 ZINC000997296655 703555431 /nfs/dbraw/zinc/55/54/31/703555431.db2.gz ATBLAKHPCCFGGO-JTQLQIEISA-N 2 2 343.884 1.224 20 0 EDADLP CCCc1noc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000997308705 703566465 /nfs/dbraw/zinc/56/64/65/703566465.db2.gz HFUFMYJQLKKFKA-UHFFFAOYSA-N 2 2 346.435 1.308 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032433823 703612390 /nfs/dbraw/zinc/61/23/90/703612390.db2.gz SQGRHQXPSKTATP-YQQAZPJKSA-N 2 2 331.464 1.080 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032433823 703612392 /nfs/dbraw/zinc/61/23/92/703612392.db2.gz SQGRHQXPSKTATP-YQQAZPJKSA-N 2 2 331.464 1.080 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001032447741 703616575 /nfs/dbraw/zinc/61/65/75/703616575.db2.gz WNKPOMRYSSNOBH-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C2CCC2)c1 ZINC001032447741 703616577 /nfs/dbraw/zinc/61/65/77/703616577.db2.gz WNKPOMRYSSNOBH-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)c1 ZINC001032447741 703616578 /nfs/dbraw/zinc/61/65/78/703616578.db2.gz WNKPOMRYSSNOBH-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)c1 ZINC001032447741 703616580 /nfs/dbraw/zinc/61/65/80/703616580.db2.gz WNKPOMRYSSNOBH-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1 ZINC001032447680 703616734 /nfs/dbraw/zinc/61/67/34/703616734.db2.gz SXURKSQIQAUMNL-GJZGRUSLSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1 ZINC001032447680 703616735 /nfs/dbraw/zinc/61/67/35/703616735.db2.gz SXURKSQIQAUMNL-GJZGRUSLSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032447680 703616736 /nfs/dbraw/zinc/61/67/36/703616736.db2.gz SXURKSQIQAUMNL-GJZGRUSLSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032447680 703616737 /nfs/dbraw/zinc/61/67/37/703616737.db2.gz SXURKSQIQAUMNL-GJZGRUSLSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032443063 703619357 /nfs/dbraw/zinc/61/93/57/703619357.db2.gz KSZDIVVBYFQKFD-HOTGVXAUSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032443063 703619359 /nfs/dbraw/zinc/61/93/59/703619359.db2.gz KSZDIVVBYFQKFD-HOTGVXAUSA-N 2 2 328.460 1.659 20 0 EDADLP CC(C)=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001032443728 703620478 /nfs/dbraw/zinc/62/04/78/703620478.db2.gz BJBDZUXAWKHWME-YESZJQIVSA-N 2 2 331.464 1.065 20 0 EDADLP CC(C)=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001032443728 703620479 /nfs/dbraw/zinc/62/04/79/703620479.db2.gz BJBDZUXAWKHWME-YESZJQIVSA-N 2 2 331.464 1.065 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032457260 703635484 /nfs/dbraw/zinc/63/54/84/703635484.db2.gz PZWRKWNKONHMJH-MWDXBVQZSA-N 2 2 344.459 1.615 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032457260 703635485 /nfs/dbraw/zinc/63/54/85/703635485.db2.gz PZWRKWNKONHMJH-MWDXBVQZSA-N 2 2 344.459 1.615 20 0 EDADLP Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[NH+]2C)cn1 ZINC001032454053 703640271 /nfs/dbraw/zinc/64/02/71/703640271.db2.gz AXSRUKDVXKSSOL-ULQDDVLXSA-N 2 2 331.464 1.080 20 0 EDADLP Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[NH+]2C)cn1 ZINC001032454053 703640272 /nfs/dbraw/zinc/64/02/72/703640272.db2.gz AXSRUKDVXKSSOL-ULQDDVLXSA-N 2 2 331.464 1.080 20 0 EDADLP Cn1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC001032454053 703640273 /nfs/dbraw/zinc/64/02/73/703640273.db2.gz AXSRUKDVXKSSOL-ULQDDVLXSA-N 2 2 331.464 1.080 20 0 EDADLP Cn1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[N@H+]2C)cn1 ZINC001032454053 703640274 /nfs/dbraw/zinc/64/02/74/703640274.db2.gz AXSRUKDVXKSSOL-ULQDDVLXSA-N 2 2 331.464 1.080 20 0 EDADLP CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032454220 703640756 /nfs/dbraw/zinc/64/07/56/703640756.db2.gz IQPIZZMSPNCMNI-ULQDDVLXSA-N 2 2 346.475 1.897 20 0 EDADLP CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032454220 703640758 /nfs/dbraw/zinc/64/07/58/703640758.db2.gz IQPIZZMSPNCMNI-ULQDDVLXSA-N 2 2 346.475 1.897 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032454220 703640759 /nfs/dbraw/zinc/64/07/59/703640759.db2.gz IQPIZZMSPNCMNI-ULQDDVLXSA-N 2 2 346.475 1.897 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032454220 703640761 /nfs/dbraw/zinc/64/07/61/703640761.db2.gz IQPIZZMSPNCMNI-ULQDDVLXSA-N 2 2 346.475 1.897 20 0 EDADLP COc1ncccc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997412545 703668226 /nfs/dbraw/zinc/66/82/26/703668226.db2.gz CYTYLKBLUPGIDE-UHFFFAOYSA-N 2 2 329.404 1.068 20 0 EDADLP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001032479116 703714274 /nfs/dbraw/zinc/71/42/74/703714274.db2.gz FKPSYHIFAMESFI-OKZBNKHCSA-N 2 2 345.491 1.269 20 0 EDADLP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001032479116 703714275 /nfs/dbraw/zinc/71/42/75/703714275.db2.gz FKPSYHIFAMESFI-OKZBNKHCSA-N 2 2 345.491 1.269 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[NH+]2C)n1 ZINC001032479116 703714276 /nfs/dbraw/zinc/71/42/76/703714276.db2.gz FKPSYHIFAMESFI-OKZBNKHCSA-N 2 2 345.491 1.269 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[NH+]2C)n1 ZINC001032479116 703714277 /nfs/dbraw/zinc/71/42/77/703714277.db2.gz FKPSYHIFAMESFI-OKZBNKHCSA-N 2 2 345.491 1.269 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032485290 703740178 /nfs/dbraw/zinc/74/01/78/703740178.db2.gz JKFHELFTEPDEBN-NJAFHUGGSA-N 2 2 344.459 1.157 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032485290 703740179 /nfs/dbraw/zinc/74/01/79/703740179.db2.gz JKFHELFTEPDEBN-NJAFHUGGSA-N 2 2 344.459 1.157 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033074374 704117610 /nfs/dbraw/zinc/11/76/10/704117610.db2.gz ZQQXGNHOVDZRHU-DOTOQJQBSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033074374 704117611 /nfs/dbraw/zinc/11/76/11/704117611.db2.gz ZQQXGNHOVDZRHU-DOTOQJQBSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033074374 704117612 /nfs/dbraw/zinc/11/76/12/704117612.db2.gz ZQQXGNHOVDZRHU-DOTOQJQBSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033074374 704117613 /nfs/dbraw/zinc/11/76/13/704117613.db2.gz ZQQXGNHOVDZRHU-DOTOQJQBSA-N 2 2 333.480 1.326 20 0 EDADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033081743 704137315 /nfs/dbraw/zinc/13/73/15/704137315.db2.gz NTSVNDFXJHHJMG-MSOLQXFVSA-N 2 2 346.450 1.595 20 0 EDADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033081743 704137318 /nfs/dbraw/zinc/13/73/18/704137318.db2.gz NTSVNDFXJHHJMG-MSOLQXFVSA-N 2 2 346.450 1.595 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1C ZINC001033094936 704174108 /nfs/dbraw/zinc/17/41/08/704174108.db2.gz LFPDRJOIJMWGIT-DJIMGWMZSA-N 2 2 333.480 1.101 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1C ZINC001033094936 704174110 /nfs/dbraw/zinc/17/41/10/704174110.db2.gz LFPDRJOIJMWGIT-DJIMGWMZSA-N 2 2 333.480 1.101 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001033094936 704174112 /nfs/dbraw/zinc/17/41/12/704174112.db2.gz LFPDRJOIJMWGIT-DJIMGWMZSA-N 2 2 333.480 1.101 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001033094936 704174114 /nfs/dbraw/zinc/17/41/14/704174114.db2.gz LFPDRJOIJMWGIT-DJIMGWMZSA-N 2 2 333.480 1.101 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922666044 704201945 /nfs/dbraw/zinc/20/19/45/704201945.db2.gz CSTFPSFGZLFQCZ-IEBWSBKVSA-N 2 2 342.443 1.587 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922666044 704201946 /nfs/dbraw/zinc/20/19/46/704201946.db2.gz CSTFPSFGZLFQCZ-IEBWSBKVSA-N 2 2 342.443 1.587 20 0 EDADLP Cc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)nc(C)[nH+]1 ZINC001061480132 704271921 /nfs/dbraw/zinc/27/19/21/704271921.db2.gz KYCWEJAAVKRVTI-JKSUJKDBSA-N 2 2 331.464 1.663 20 0 EDADLP Cc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)nc(C)[nH+]1 ZINC001061480132 704271923 /nfs/dbraw/zinc/27/19/23/704271923.db2.gz KYCWEJAAVKRVTI-JKSUJKDBSA-N 2 2 331.464 1.663 20 0 EDADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032540430 704600124 /nfs/dbraw/zinc/60/01/24/704600124.db2.gz FSIBDFFEOKEIHF-ULQDDVLXSA-N 2 2 339.455 1.132 20 0 EDADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032540430 704600125 /nfs/dbraw/zinc/60/01/25/704600125.db2.gz FSIBDFFEOKEIHF-ULQDDVLXSA-N 2 2 339.455 1.132 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032540430 704600126 /nfs/dbraw/zinc/60/01/26/704600126.db2.gz FSIBDFFEOKEIHF-ULQDDVLXSA-N 2 2 339.455 1.132 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032540430 704600127 /nfs/dbraw/zinc/60/01/27/704600127.db2.gz FSIBDFFEOKEIHF-ULQDDVLXSA-N 2 2 339.455 1.132 20 0 EDADLP CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000997725497 704621764 /nfs/dbraw/zinc/62/17/64/704621764.db2.gz GANFUPOGDRANMS-MAUKXSAKSA-N 2 2 337.508 1.866 20 0 EDADLP CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000997725497 704621766 /nfs/dbraw/zinc/62/17/66/704621766.db2.gz GANFUPOGDRANMS-MAUKXSAKSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)s1 ZINC000997739216 704636762 /nfs/dbraw/zinc/63/67/62/704636762.db2.gz UKIKKHOVXBJIDD-UHFFFAOYSA-N 2 2 348.476 1.531 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997871098 704777103 /nfs/dbraw/zinc/77/71/03/704777103.db2.gz GTJICDGMDLMRJR-IRXDYDNUSA-N 2 2 346.475 1.310 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997871110 704777205 /nfs/dbraw/zinc/77/72/05/704777205.db2.gz GTJICDGMDLMRJR-SJORKVTESA-N 2 2 346.475 1.310 20 0 EDADLP C[C@H]1C[N@H+](Cc2nnc(C3CC3)o2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944264 704797035 /nfs/dbraw/zinc/79/70/35/704797035.db2.gz LTQVWIZABQOXFY-ZFWWWQNUSA-N 2 2 347.463 1.369 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nnc(C3CC3)o2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944264 704797036 /nfs/dbraw/zinc/79/70/36/704797036.db2.gz LTQVWIZABQOXFY-ZFWWWQNUSA-N 2 2 347.463 1.369 20 0 EDADLP CCc1nnc(C[NH2+]CC2CCN(C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC000997913829 704975264 /nfs/dbraw/zinc/97/52/64/704975264.db2.gz FCZBHSKIAILYAJ-UHFFFAOYSA-N 2 2 346.435 1.165 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000997952334 705073684 /nfs/dbraw/zinc/07/36/84/705073684.db2.gz LJRXTUUFLXTAPX-UHFFFAOYSA-N 2 2 334.449 1.153 20 0 EDADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998050677 705245506 /nfs/dbraw/zinc/24/55/06/705245506.db2.gz ICSMSUTXEOVQRB-IRXDYDNUSA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998050677 705245508 /nfs/dbraw/zinc/24/55/08/705245508.db2.gz ICSMSUTXEOVQRB-IRXDYDNUSA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998052964 705256199 /nfs/dbraw/zinc/25/61/99/705256199.db2.gz RDTLBTPODFTTIG-JKSUJKDBSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998052964 705256202 /nfs/dbraw/zinc/25/62/02/705256202.db2.gz RDTLBTPODFTTIG-JKSUJKDBSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000998102333 705345056 /nfs/dbraw/zinc/34/50/56/705345056.db2.gz MIFSURJYTWNXHN-SJORKVTESA-N 2 2 349.479 1.757 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000998102333 705345060 /nfs/dbraw/zinc/34/50/60/705345060.db2.gz MIFSURJYTWNXHN-SJORKVTESA-N 2 2 349.479 1.757 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998102333 705345064 /nfs/dbraw/zinc/34/50/64/705345064.db2.gz MIFSURJYTWNXHN-SJORKVTESA-N 2 2 349.479 1.757 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998102333 705345070 /nfs/dbraw/zinc/34/50/70/705345070.db2.gz MIFSURJYTWNXHN-SJORKVTESA-N 2 2 349.479 1.757 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000998111953 705362112 /nfs/dbraw/zinc/36/21/12/705362112.db2.gz RGGMINWGBUMDKZ-KRWDZBQOSA-N 2 2 349.479 1.614 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000998111953 705362118 /nfs/dbraw/zinc/36/21/18/705362118.db2.gz RGGMINWGBUMDKZ-KRWDZBQOSA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000998115809 705370555 /nfs/dbraw/zinc/37/05/55/705370555.db2.gz PYQCSVNFCYJDEN-UHFFFAOYSA-N 2 2 346.435 1.487 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)c1ncccn1 ZINC000998120835 705380604 /nfs/dbraw/zinc/38/06/04/705380604.db2.gz RXAWCIMRODEKCC-ZDUSSCGKSA-N 2 2 328.420 1.332 20 0 EDADLP Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)s1 ZINC001032601595 705391600 /nfs/dbraw/zinc/39/16/00/705391600.db2.gz CFMULJVDWDVWNA-GJZGRUSLSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)s1 ZINC001032601595 705391605 /nfs/dbraw/zinc/39/16/05/705391605.db2.gz CFMULJVDWDVWNA-GJZGRUSLSA-N 2 2 334.489 1.578 20 0 EDADLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2F)CC1 ZINC001032601623 705391668 /nfs/dbraw/zinc/39/16/68/705391668.db2.gz DWJKVDYICVWOLL-IRXDYDNUSA-N 2 2 331.435 1.953 20 0 EDADLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2F)CC1 ZINC001032601623 705391673 /nfs/dbraw/zinc/39/16/73/705391673.db2.gz DWJKVDYICVWOLL-IRXDYDNUSA-N 2 2 331.435 1.953 20 0 EDADLP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602257 705400684 /nfs/dbraw/zinc/40/06/84/705400684.db2.gz MAJOZUQJBDAZSC-IRXDYDNUSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602257 705400686 /nfs/dbraw/zinc/40/06/86/705400686.db2.gz MAJOZUQJBDAZSC-IRXDYDNUSA-N 2 2 328.460 1.517 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)O1 ZINC000998253837 705612973 /nfs/dbraw/zinc/61/29/73/705612973.db2.gz KDZPYMBYTCGIGD-CRAIPNDOSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+][C@H](C)c2csnn2)CC1 ZINC000998268050 705640119 /nfs/dbraw/zinc/64/01/19/705640119.db2.gz DCWBCNJKFKHKSS-GFCCVEGCSA-N 2 2 348.476 1.632 20 0 EDADLP Cc1ccnc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000998297534 705700481 /nfs/dbraw/zinc/70/04/81/705700481.db2.gz KXMKUHJGNXSEMF-UHFFFAOYSA-N 2 2 328.420 1.010 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001032627746 705737936 /nfs/dbraw/zinc/73/79/36/705737936.db2.gz HPCUDHGWYCKIPV-NJAFHUGGSA-N 2 2 343.471 1.822 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001032627746 705737937 /nfs/dbraw/zinc/73/79/37/705737937.db2.gz HPCUDHGWYCKIPV-NJAFHUGGSA-N 2 2 343.471 1.822 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001032627746 705737938 /nfs/dbraw/zinc/73/79/38/705737938.db2.gz HPCUDHGWYCKIPV-NJAFHUGGSA-N 2 2 343.471 1.822 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001032627746 705737940 /nfs/dbraw/zinc/73/79/40/705737940.db2.gz HPCUDHGWYCKIPV-NJAFHUGGSA-N 2 2 343.471 1.822 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2cscn2)C1 ZINC000998902043 706338521 /nfs/dbraw/zinc/33/85/21/706338521.db2.gz QZBUQYFCRDJGDW-PESDSKBTSA-N 2 2 345.472 1.996 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]Cc2cncs2)C1 ZINC000999007191 706426880 /nfs/dbraw/zinc/42/68/80/706426880.db2.gz LGMVDKCAUUJCAC-HSBZDZAISA-N 2 2 345.472 1.681 20 0 EDADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC([NH2+]Cc2cncs2)C1 ZINC000999008487 706428085 /nfs/dbraw/zinc/42/80/85/706428085.db2.gz YLCDMRKEWWPYEG-IYXRBSQSSA-N 2 2 345.472 1.681 20 0 EDADLP CN(C(=O)c1cc(C[NH+](C)C)on1)C1CC([NH2+]Cc2nccs2)C1 ZINC000999029742 706466949 /nfs/dbraw/zinc/46/69/49/706466949.db2.gz WNNGIVNHMGZYLQ-UHFFFAOYSA-N 2 2 349.460 1.586 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999354793 706843906 /nfs/dbraw/zinc/84/39/06/706843906.db2.gz SRDKNMMTKBLTSJ-JSGCOSHPSA-N 2 2 335.452 1.504 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC000999351239 706864102 /nfs/dbraw/zinc/86/41/02/706864102.db2.gz DQKCBFQVMYRNAB-KGLIPLIRSA-N 2 2 349.479 1.758 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999403626 706912299 /nfs/dbraw/zinc/91/22/99/706912299.db2.gz XDOHASDHMFHKKM-DZGCQCFKSA-N 2 2 337.493 1.493 20 0 EDADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999403626 706912300 /nfs/dbraw/zinc/91/23/00/706912300.db2.gz XDOHASDHMFHKKM-DZGCQCFKSA-N 2 2 337.493 1.493 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC000999514232 707012906 /nfs/dbraw/zinc/01/29/06/707012906.db2.gz VARGHUDSTMINJN-CABCVRRESA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC000999514232 707012908 /nfs/dbraw/zinc/01/29/08/707012908.db2.gz VARGHUDSTMINJN-CABCVRRESA-N 2 2 349.479 1.758 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999515122 707014174 /nfs/dbraw/zinc/01/41/74/707014174.db2.gz XGPIWFIZMXYCMC-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999515122 707014175 /nfs/dbraw/zinc/01/41/75/707014175.db2.gz XGPIWFIZMXYCMC-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP O=C(N1CCC[C@@H]([NH2+]Cc2csnn2)C1)C12CCC[NH+](CCC1)C2 ZINC000999489736 707025996 /nfs/dbraw/zinc/02/59/96/707025996.db2.gz MKRQNUNLMZRHOJ-CQSZACIVSA-N 2 2 349.504 1.495 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000999492172 707028535 /nfs/dbraw/zinc/02/85/35/707028535.db2.gz YIEUDURIFCMJLR-UHFFFAOYSA-N 2 2 332.408 1.169 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000999534007 707034455 /nfs/dbraw/zinc/03/44/55/707034455.db2.gz BVZXTALWWBBRHT-ZIAGYGMSSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999538889 707039693 /nfs/dbraw/zinc/03/96/93/707039693.db2.gz ZZOVFEQGYXMKQQ-IRXDYDNUSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999555972 707054129 /nfs/dbraw/zinc/05/41/29/707054129.db2.gz GWTSGOLHUFHJEF-AWEZNQCLSA-N 2 2 347.419 1.427 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999797834 707369272 /nfs/dbraw/zinc/36/92/72/707369272.db2.gz HMSQBKKTGGPWKY-CVEARBPZSA-N 2 2 327.444 1.037 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999797834 707369278 /nfs/dbraw/zinc/36/92/78/707369278.db2.gz HMSQBKKTGGPWKY-CVEARBPZSA-N 2 2 327.444 1.037 20 0 EDADLP CC(C)c1cnc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)o1 ZINC000999917901 707559816 /nfs/dbraw/zinc/55/98/16/707559816.db2.gz YYFKAILHGODWEY-UHFFFAOYSA-N 2 2 331.420 1.774 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815987 707566724 /nfs/dbraw/zinc/56/67/24/707566724.db2.gz XRDAXCAGQIGEOE-OAGGEKHMSA-N 2 2 334.464 1.405 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815987 707566725 /nfs/dbraw/zinc/56/67/25/707566725.db2.gz XRDAXCAGQIGEOE-OAGGEKHMSA-N 2 2 334.464 1.405 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815987 707566726 /nfs/dbraw/zinc/56/67/26/707566726.db2.gz XRDAXCAGQIGEOE-OAGGEKHMSA-N 2 2 334.464 1.405 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815987 707566727 /nfs/dbraw/zinc/56/67/27/707566727.db2.gz XRDAXCAGQIGEOE-OAGGEKHMSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1nnsc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004958662 707714046 /nfs/dbraw/zinc/71/40/46/707714046.db2.gz WJJKIDSEVHLKBU-BXUZGUMPSA-N 2 2 348.476 1.672 20 0 EDADLP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001004966224 707760982 /nfs/dbraw/zinc/76/09/82/707760982.db2.gz OLSKNLVNHNVWPU-XJKSGUPXSA-N 2 2 342.447 1.610 20 0 EDADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033414429 707787170 /nfs/dbraw/zinc/78/71/70/707787170.db2.gz BSUYEERGYNLRBY-GDBMZVCRSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033414429 707787172 /nfs/dbraw/zinc/78/71/72/707787172.db2.gz BSUYEERGYNLRBY-GDBMZVCRSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033414429 707787177 /nfs/dbraw/zinc/78/71/77/707787177.db2.gz BSUYEERGYNLRBY-GDBMZVCRSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033414429 707787183 /nfs/dbraw/zinc/78/71/83/707787183.db2.gz BSUYEERGYNLRBY-GDBMZVCRSA-N 2 2 348.495 1.123 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001033425851 707845668 /nfs/dbraw/zinc/84/56/68/707845668.db2.gz KXTUIENMEPKXJX-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001033425851 707845672 /nfs/dbraw/zinc/84/56/72/707845672.db2.gz KXTUIENMEPKXJX-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC001033425851 707845675 /nfs/dbraw/zinc/84/56/75/707845675.db2.gz KXTUIENMEPKXJX-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)cn1 ZINC001033425851 707845681 /nfs/dbraw/zinc/84/56/81/707845681.db2.gz KXTUIENMEPKXJX-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033476196 707937223 /nfs/dbraw/zinc/93/72/23/707937223.db2.gz XPSPBIBUZOGAIW-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033476196 707937224 /nfs/dbraw/zinc/93/72/24/707937224.db2.gz XPSPBIBUZOGAIW-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033476196 707937225 /nfs/dbraw/zinc/93/72/25/707937225.db2.gz XPSPBIBUZOGAIW-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033476196 707937226 /nfs/dbraw/zinc/93/72/26/707937226.db2.gz XPSPBIBUZOGAIW-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001033476995 707938967 /nfs/dbraw/zinc/93/89/67/707938967.db2.gz ZMESATJYGXQSBJ-CJNGLKHVSA-N 2 2 349.479 1.704 20 0 EDADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001033476995 707938970 /nfs/dbraw/zinc/93/89/70/707938970.db2.gz ZMESATJYGXQSBJ-CJNGLKHVSA-N 2 2 349.479 1.704 20 0 EDADLP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033475801 707965880 /nfs/dbraw/zinc/96/58/80/707965880.db2.gz SCHGJPRDCKSNGW-HNNXBMFYSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033475801 707965883 /nfs/dbraw/zinc/96/58/83/707965883.db2.gz SCHGJPRDCKSNGW-HNNXBMFYSA-N 2 2 336.505 1.908 20 0 EDADLP O=C(NCC1=CC[N@H+](C[C@H]2CCOC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001000876605 708075694 /nfs/dbraw/zinc/07/56/94/708075694.db2.gz ISUPOGOODZNSID-SJORKVTESA-N 2 2 344.459 1.230 20 0 EDADLP O=C(NCC1=CC[N@@H+](C[C@H]2CCOC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001000876605 708075695 /nfs/dbraw/zinc/07/56/95/708075695.db2.gz ISUPOGOODZNSID-SJORKVTESA-N 2 2 344.459 1.230 20 0 EDADLP CCn1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005184537 708111323 /nfs/dbraw/zinc/11/13/23/708111323.db2.gz NMUKZNLFTCUSMO-KRWDZBQOSA-N 2 2 333.480 1.420 20 0 EDADLP CCn1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001005184537 708111326 /nfs/dbraw/zinc/11/13/26/708111326.db2.gz NMUKZNLFTCUSMO-KRWDZBQOSA-N 2 2 333.480 1.420 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001033587026 708278475 /nfs/dbraw/zinc/27/84/75/708278475.db2.gz DFONBFFOJMWMOY-AWEZNQCLSA-N 2 2 331.420 1.300 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001033587026 708278476 /nfs/dbraw/zinc/27/84/76/708278476.db2.gz DFONBFFOJMWMOY-AWEZNQCLSA-N 2 2 331.420 1.300 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033594344 708295774 /nfs/dbraw/zinc/29/57/74/708295774.db2.gz OXXXDGQLJDZKMH-HNNXBMFYSA-N 2 2 348.878 1.864 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033594344 708295776 /nfs/dbraw/zinc/29/57/76/708295776.db2.gz OXXXDGQLJDZKMH-HNNXBMFYSA-N 2 2 348.878 1.864 20 0 EDADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033594381 708295822 /nfs/dbraw/zinc/29/58/22/708295822.db2.gz PLFPEEMBZQRLIE-CABCVRRESA-N 2 2 332.448 1.673 20 0 EDADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033594381 708295823 /nfs/dbraw/zinc/29/58/23/708295823.db2.gz PLFPEEMBZQRLIE-CABCVRRESA-N 2 2 332.448 1.673 20 0 EDADLP CCOc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC001033656773 708426687 /nfs/dbraw/zinc/42/66/87/708426687.db2.gz FEAUPQWSCGPQFW-KRWDZBQOSA-N 2 2 346.475 1.609 20 0 EDADLP CCOc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC001033656773 708426692 /nfs/dbraw/zinc/42/66/92/708426692.db2.gz FEAUPQWSCGPQFW-KRWDZBQOSA-N 2 2 346.475 1.609 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033665599 708449038 /nfs/dbraw/zinc/44/90/38/708449038.db2.gz PRSJKOZAICWIBP-LSDHHAIUSA-N 2 2 332.448 1.536 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033665599 708449039 /nfs/dbraw/zinc/44/90/39/708449039.db2.gz PRSJKOZAICWIBP-LSDHHAIUSA-N 2 2 332.448 1.536 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001033665599 708449040 /nfs/dbraw/zinc/44/90/40/708449040.db2.gz PRSJKOZAICWIBP-LSDHHAIUSA-N 2 2 332.448 1.536 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001033665599 708449042 /nfs/dbraw/zinc/44/90/42/708449042.db2.gz PRSJKOZAICWIBP-LSDHHAIUSA-N 2 2 332.448 1.536 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2cnc(C)cn2)C1 ZINC001033668477 708457514 /nfs/dbraw/zinc/45/75/14/708457514.db2.gz MPABJMSFFPJTGF-ZBFHGGJFSA-N 2 2 342.447 1.584 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2cnc(C)cn2)C1 ZINC001033668477 708457516 /nfs/dbraw/zinc/45/75/16/708457516.db2.gz MPABJMSFFPJTGF-ZBFHGGJFSA-N 2 2 342.447 1.584 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)sc1C ZINC001033659888 708472397 /nfs/dbraw/zinc/47/23/97/708472397.db2.gz ZNZKWEBVVRONBX-HNNXBMFYSA-N 2 2 336.505 1.888 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)sc1C ZINC001033659888 708472398 /nfs/dbraw/zinc/47/23/98/708472398.db2.gz ZNZKWEBVVRONBX-HNNXBMFYSA-N 2 2 336.505 1.888 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3C)C2)C1 ZINC001033679743 708489942 /nfs/dbraw/zinc/48/99/42/708489942.db2.gz LJOLRPAZEHVMSC-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3C)C2)C1 ZINC001033679743 708489943 /nfs/dbraw/zinc/48/99/43/708489943.db2.gz LJOLRPAZEHVMSC-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cccnc3C)C2)C1 ZINC001033679743 708489945 /nfs/dbraw/zinc/48/99/45/708489945.db2.gz LJOLRPAZEHVMSC-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccnc3C)C2)C1 ZINC001033679743 708489947 /nfs/dbraw/zinc/48/99/47/708489947.db2.gz LJOLRPAZEHVMSC-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC001033704553 708533791 /nfs/dbraw/zinc/53/37/91/708533791.db2.gz WUTCJZGUTINUAK-OAHLLOKOSA-N 2 2 348.397 1.937 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC001033704553 708533794 /nfs/dbraw/zinc/53/37/94/708533794.db2.gz WUTCJZGUTINUAK-OAHLLOKOSA-N 2 2 348.397 1.937 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033789391 708700121 /nfs/dbraw/zinc/70/01/21/708700121.db2.gz NVWGZKWDDKVTAZ-LSDHHAIUSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033789391 708700122 /nfs/dbraw/zinc/70/01/22/708700122.db2.gz NVWGZKWDDKVTAZ-LSDHHAIUSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033789391 708700123 /nfs/dbraw/zinc/70/01/23/708700123.db2.gz NVWGZKWDDKVTAZ-LSDHHAIUSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033789391 708700124 /nfs/dbraw/zinc/70/01/24/708700124.db2.gz NVWGZKWDDKVTAZ-LSDHHAIUSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033790147 708701200 /nfs/dbraw/zinc/70/12/00/708701200.db2.gz UBIGIISPGUTGOX-HZPDHXFCSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033790147 708701203 /nfs/dbraw/zinc/70/12/03/708701203.db2.gz UBIGIISPGUTGOX-HZPDHXFCSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033790147 708701205 /nfs/dbraw/zinc/70/12/05/708701205.db2.gz UBIGIISPGUTGOX-HZPDHXFCSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033790147 708701207 /nfs/dbraw/zinc/70/12/07/708701207.db2.gz UBIGIISPGUTGOX-HZPDHXFCSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001033777847 708705976 /nfs/dbraw/zinc/70/59/76/708705976.db2.gz YGXWEBNNAAVWFD-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001033777847 708705980 /nfs/dbraw/zinc/70/59/80/708705980.db2.gz YGXWEBNNAAVWFD-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cncc(OC)n2)C1 ZINC001033777847 708705983 /nfs/dbraw/zinc/70/59/83/708705983.db2.gz YGXWEBNNAAVWFD-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cncc(OC)n2)C1 ZINC001033777847 708705986 /nfs/dbraw/zinc/70/59/86/708705986.db2.gz YGXWEBNNAAVWFD-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033831769 708854428 /nfs/dbraw/zinc/85/44/28/708854428.db2.gz YIGQKILXJOYNIT-IAGOWNOFSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033831769 708854432 /nfs/dbraw/zinc/85/44/32/708854432.db2.gz YIGQKILXJOYNIT-IAGOWNOFSA-N 2 2 346.475 1.748 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@H](N(CC)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033836432 708864461 /nfs/dbraw/zinc/86/44/61/708864461.db2.gz BRKCYIAGNYVMMO-HLLBOEOZSA-N 2 2 348.491 2.000 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@H](N(CC)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033836432 708864462 /nfs/dbraw/zinc/86/44/62/708864462.db2.gz BRKCYIAGNYVMMO-HLLBOEOZSA-N 2 2 348.491 2.000 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001033836432 708864463 /nfs/dbraw/zinc/86/44/63/708864463.db2.gz BRKCYIAGNYVMMO-HLLBOEOZSA-N 2 2 348.491 2.000 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@H](N(CC)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001033836432 708864464 /nfs/dbraw/zinc/86/44/64/708864464.db2.gz BRKCYIAGNYVMMO-HLLBOEOZSA-N 2 2 348.491 2.000 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)co1 ZINC001005406846 708936740 /nfs/dbraw/zinc/93/67/40/708936740.db2.gz HSWLAXSNBWMRKT-CXAGYDPISA-N 2 2 334.464 1.746 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)co1 ZINC001005406846 708936743 /nfs/dbraw/zinc/93/67/43/708936743.db2.gz HSWLAXSNBWMRKT-CXAGYDPISA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000921932704 709057688 /nfs/dbraw/zinc/05/76/88/709057688.db2.gz IEOPESWBINPVDV-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)oc1C ZINC001034139044 709388957 /nfs/dbraw/zinc/38/89/57/709388957.db2.gz QVUJEAOQKRZIFN-CVEARBPZSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)oc1C ZINC001034139044 709388960 /nfs/dbraw/zinc/38/89/60/709388960.db2.gz QVUJEAOQKRZIFN-CVEARBPZSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)oc1C ZINC001034139044 709388963 /nfs/dbraw/zinc/38/89/63/709388963.db2.gz QVUJEAOQKRZIFN-CVEARBPZSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)oc1C ZINC001034139044 709388967 /nfs/dbraw/zinc/38/89/67/709388967.db2.gz QVUJEAOQKRZIFN-CVEARBPZSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC001002791984 709399885 /nfs/dbraw/zinc/39/98/85/709399885.db2.gz LKLHFXCBHJBNHJ-BBRMVZONSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC001002791984 709399888 /nfs/dbraw/zinc/39/98/88/709399888.db2.gz LKLHFXCBHJBNHJ-BBRMVZONSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC001002799687 709413528 /nfs/dbraw/zinc/41/35/28/709413528.db2.gz ARLSYVROZQGWPR-WBVHZDCISA-N 2 2 346.475 1.938 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)o1 ZINC001002799687 709413530 /nfs/dbraw/zinc/41/35/30/709413530.db2.gz ARLSYVROZQGWPR-WBVHZDCISA-N 2 2 346.475 1.938 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002801528 709415399 /nfs/dbraw/zinc/41/53/99/709415399.db2.gz IVDSDXXCVXQHRR-WBVHZDCISA-N 2 2 345.491 1.375 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002801528 709415402 /nfs/dbraw/zinc/41/54/02/709415402.db2.gz IVDSDXXCVXQHRR-WBVHZDCISA-N 2 2 345.491 1.375 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+](Cc2ncccn2)CC1)[NH+]1CCCCC1 ZINC001002815770 709431037 /nfs/dbraw/zinc/43/10/37/709431037.db2.gz SGPXHJWJNQQVFI-UHFFFAOYSA-N 2 2 345.491 1.822 20 0 EDADLP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000922016956 709437725 /nfs/dbraw/zinc/43/77/25/709437725.db2.gz KOGMXJWVYLCQGP-HIFRSBDPSA-N 2 2 329.400 1.928 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC001032828305 709452514 /nfs/dbraw/zinc/45/25/14/709452514.db2.gz CNYNOJYWGOADHK-IAOVAPTHSA-N 2 2 335.423 1.144 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2F)C1 ZINC001032828305 709452515 /nfs/dbraw/zinc/45/25/15/709452515.db2.gz CNYNOJYWGOADHK-IAOVAPTHSA-N 2 2 335.423 1.144 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001032828305 709452517 /nfs/dbraw/zinc/45/25/17/709452517.db2.gz CNYNOJYWGOADHK-IAOVAPTHSA-N 2 2 335.423 1.144 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001032828305 709452518 /nfs/dbraw/zinc/45/25/18/709452518.db2.gz CNYNOJYWGOADHK-IAOVAPTHSA-N 2 2 335.423 1.144 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034205330 709528492 /nfs/dbraw/zinc/52/84/92/709528492.db2.gz VLOGEOFKHFAGMV-SJLPKXTDSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034205330 709528493 /nfs/dbraw/zinc/52/84/93/709528493.db2.gz VLOGEOFKHFAGMV-SJLPKXTDSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034205330 709528494 /nfs/dbraw/zinc/52/84/94/709528494.db2.gz VLOGEOFKHFAGMV-SJLPKXTDSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034205330 709528495 /nfs/dbraw/zinc/52/84/95/709528495.db2.gz VLOGEOFKHFAGMV-SJLPKXTDSA-N 2 2 347.507 1.764 20 0 EDADLP Cc1nnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034209228 709558823 /nfs/dbraw/zinc/55/88/23/709558823.db2.gz YMCKPIINDQRLIB-CVEARBPZSA-N 2 2 347.463 1.191 20 0 EDADLP Cc1nnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034209228 709558825 /nfs/dbraw/zinc/55/88/25/709558825.db2.gz YMCKPIINDQRLIB-CVEARBPZSA-N 2 2 347.463 1.191 20 0 EDADLP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218454 709575571 /nfs/dbraw/zinc/57/55/71/709575571.db2.gz GLTNEOZXCIHYEI-GJZGRUSLSA-N 2 2 334.464 1.113 20 0 EDADLP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218454 709575572 /nfs/dbraw/zinc/57/55/72/709575572.db2.gz GLTNEOZXCIHYEI-GJZGRUSLSA-N 2 2 334.464 1.113 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001002956053 709658999 /nfs/dbraw/zinc/65/89/99/709658999.db2.gz OROJQGWCDHIECU-SFHVURJKSA-N 2 2 347.507 1.858 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001002956053 709659004 /nfs/dbraw/zinc/65/90/04/709659004.db2.gz OROJQGWCDHIECU-SFHVURJKSA-N 2 2 347.507 1.858 20 0 EDADLP Cn1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001034275281 709684502 /nfs/dbraw/zinc/68/45/02/709684502.db2.gz BSYRPMWKTSQACM-IRXDYDNUSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001034275281 709684507 /nfs/dbraw/zinc/68/45/07/709684507.db2.gz BSYRPMWKTSQACM-IRXDYDNUSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001034275281 709684509 /nfs/dbraw/zinc/68/45/09/709684509.db2.gz BSYRPMWKTSQACM-IRXDYDNUSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001034275281 709684515 /nfs/dbraw/zinc/68/45/15/709684515.db2.gz BSYRPMWKTSQACM-IRXDYDNUSA-N 2 2 333.480 1.375 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001034309402 709750814 /nfs/dbraw/zinc/75/08/14/709750814.db2.gz LOLYPXPASXIQJU-HZPDHXFCSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001034309402 709750817 /nfs/dbraw/zinc/75/08/17/709750817.db2.gz LOLYPXPASXIQJU-HZPDHXFCSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034384363 709910928 /nfs/dbraw/zinc/91/09/28/709910928.db2.gz DQGHJRSMQICXBR-QGZVFWFLSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034384363 709910932 /nfs/dbraw/zinc/91/09/32/709910932.db2.gz DQGHJRSMQICXBR-QGZVFWFLSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)no1 ZINC001034396411 709934773 /nfs/dbraw/zinc/93/47/73/709934773.db2.gz FNOBSNCYWSDJEQ-GOEBONIOSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)no1 ZINC001034396411 709934775 /nfs/dbraw/zinc/93/47/75/709934775.db2.gz FNOBSNCYWSDJEQ-GOEBONIOSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)no1 ZINC001034396411 709934776 /nfs/dbraw/zinc/93/47/76/709934776.db2.gz FNOBSNCYWSDJEQ-GOEBONIOSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)no1 ZINC001034396411 709934778 /nfs/dbraw/zinc/93/47/78/709934778.db2.gz FNOBSNCYWSDJEQ-GOEBONIOSA-N 2 2 334.464 1.938 20 0 EDADLP CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400998 709945142 /nfs/dbraw/zinc/94/51/42/709945142.db2.gz ZFCPAWHHTWPDKV-JKSUJKDBSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400998 709945146 /nfs/dbraw/zinc/94/51/46/709945146.db2.gz ZFCPAWHHTWPDKV-JKSUJKDBSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034400998 709945150 /nfs/dbraw/zinc/94/51/50/709945150.db2.gz ZFCPAWHHTWPDKV-JKSUJKDBSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034400998 709945155 /nfs/dbraw/zinc/94/51/55/709945155.db2.gz ZFCPAWHHTWPDKV-JKSUJKDBSA-N 2 2 348.495 1.253 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001003185569 710101674 /nfs/dbraw/zinc/10/16/74/710101674.db2.gz UFBGILDRHNUVTI-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP CCc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034490572 710109119 /nfs/dbraw/zinc/10/91/19/710109119.db2.gz LWISGTVJGRQJMP-HNNXBMFYSA-N 2 2 345.447 1.684 20 0 EDADLP CCc1nocc1C[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034490572 710109122 /nfs/dbraw/zinc/10/91/22/710109122.db2.gz LWISGTVJGRQJMP-HNNXBMFYSA-N 2 2 345.447 1.684 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3nccs3)C2)C1 ZINC001034491495 710111792 /nfs/dbraw/zinc/11/17/92/710111792.db2.gz VMAODQVJAPJENN-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3nccs3)C2)C1 ZINC001034491495 710111794 /nfs/dbraw/zinc/11/17/94/710111794.db2.gz VMAODQVJAPJENN-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](Cc3nccs3)C2)C1 ZINC001034491495 710111796 /nfs/dbraw/zinc/11/17/96/710111796.db2.gz VMAODQVJAPJENN-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3nccs3)C2)C1 ZINC001034491495 710111800 /nfs/dbraw/zinc/11/18/00/710111800.db2.gz VMAODQVJAPJENN-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003193600 710128399 /nfs/dbraw/zinc/12/83/99/710128399.db2.gz NXRSOICFYRIURR-MRXNPFEDSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1noc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034486363 710130709 /nfs/dbraw/zinc/13/07/09/710130709.db2.gz ADHFZVDYIHALOG-CABCVRRESA-N 2 2 335.452 1.191 20 0 EDADLP Cc1noc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034486363 710130711 /nfs/dbraw/zinc/13/07/11/710130711.db2.gz ADHFZVDYIHALOG-CABCVRRESA-N 2 2 335.452 1.191 20 0 EDADLP Cc1noc(C[N@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034486363 710130713 /nfs/dbraw/zinc/13/07/13/710130713.db2.gz ADHFZVDYIHALOG-CABCVRRESA-N 2 2 335.452 1.191 20 0 EDADLP Cc1noc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034486363 710130715 /nfs/dbraw/zinc/13/07/15/710130715.db2.gz ADHFZVDYIHALOG-CABCVRRESA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nonc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034486667 710133964 /nfs/dbraw/zinc/13/39/64/710133964.db2.gz CILSMYWAUHHOCD-GJZGRUSLSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nonc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034486667 710133965 /nfs/dbraw/zinc/13/39/65/710133965.db2.gz CILSMYWAUHHOCD-GJZGRUSLSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nonc1C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486667 710133966 /nfs/dbraw/zinc/13/39/66/710133966.db2.gz CILSMYWAUHHOCD-GJZGRUSLSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nonc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034486667 710133968 /nfs/dbraw/zinc/13/39/68/710133968.db2.gz CILSMYWAUHHOCD-GJZGRUSLSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034501939 710142454 /nfs/dbraw/zinc/14/24/54/710142454.db2.gz BJFZKIOGNUOTDQ-MRXNPFEDSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034501939 710142456 /nfs/dbraw/zinc/14/24/56/710142456.db2.gz BJFZKIOGNUOTDQ-MRXNPFEDSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2nccnc2C)C1 ZINC001034529751 710185674 /nfs/dbraw/zinc/18/56/74/710185674.db2.gz MSFPKXIMGGJLLX-MRXNPFEDSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2nccnc2C)C1 ZINC001034529751 710185676 /nfs/dbraw/zinc/18/56/76/710185676.db2.gz MSFPKXIMGGJLLX-MRXNPFEDSA-N 2 2 342.447 1.461 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001032839474 710281577 /nfs/dbraw/zinc/28/15/77/710281577.db2.gz BSWVOCKUQCSCDR-HZSPNIEDSA-N 2 2 331.407 1.085 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001032839474 710281579 /nfs/dbraw/zinc/28/15/79/710281579.db2.gz BSWVOCKUQCSCDR-HZSPNIEDSA-N 2 2 331.407 1.085 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001032839474 710281580 /nfs/dbraw/zinc/28/15/80/710281580.db2.gz BSWVOCKUQCSCDR-HZSPNIEDSA-N 2 2 331.407 1.085 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001032839474 710281582 /nfs/dbraw/zinc/28/15/82/710281582.db2.gz BSWVOCKUQCSCDR-HZSPNIEDSA-N 2 2 331.407 1.085 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H]([NH2+][C@H](C)C(N)=O)CC3)ccn12 ZINC001034645237 710321833 /nfs/dbraw/zinc/32/18/33/710321833.db2.gz TWCBPFNGYVKXMY-BPLDGKMQSA-N 2 2 343.431 1.147 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000922177117 710350618 /nfs/dbraw/zinc/35/06/18/710350618.db2.gz DYUNVWTVWBUSFO-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001003548007 710414028 /nfs/dbraw/zinc/41/40/28/710414028.db2.gz QDRFSHQHALLVIE-GFCCVEGCSA-N 2 2 335.452 1.361 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000922204898 710421815 /nfs/dbraw/zinc/42/18/15/710421815.db2.gz IAIMHDFWHMUMGP-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000922204898 710421816 /nfs/dbraw/zinc/42/18/16/710421816.db2.gz IAIMHDFWHMUMGP-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)nn1C ZINC001003627513 710457500 /nfs/dbraw/zinc/45/75/00/710457500.db2.gz FTSDMGPQAORZFR-UHFFFAOYSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)nn1C ZINC001003627513 710457502 /nfs/dbraw/zinc/45/75/02/710457502.db2.gz FTSDMGPQAORZFR-UHFFFAOYSA-N 2 2 347.507 1.541 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC001003627848 710458013 /nfs/dbraw/zinc/45/80/13/710458013.db2.gz IXWJQOQAWYDSLB-KGLIPLIRSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001003627848 710458015 /nfs/dbraw/zinc/45/80/15/710458015.db2.gz IXWJQOQAWYDSLB-KGLIPLIRSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003629383 710459006 /nfs/dbraw/zinc/45/90/06/710459006.db2.gz ZZCQZVXIWSYIIU-STQMWFEESA-N 2 2 335.452 1.361 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003629383 710459007 /nfs/dbraw/zinc/45/90/07/710459007.db2.gz ZZCQZVXIWSYIIU-STQMWFEESA-N 2 2 335.452 1.361 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)o1 ZINC001003629500 710459195 /nfs/dbraw/zinc/45/91/95/710459195.db2.gz BLTCITFHPMJITB-ZDUSSCGKSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)o1 ZINC001003629500 710459198 /nfs/dbraw/zinc/45/91/98/710459198.db2.gz BLTCITFHPMJITB-ZDUSSCGKSA-N 2 2 349.479 1.752 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003737026 710518328 /nfs/dbraw/zinc/51/83/28/710518328.db2.gz CXGVUDWEFXSLSG-QGZVFWFLSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003737026 710518329 /nfs/dbraw/zinc/51/83/29/710518329.db2.gz CXGVUDWEFXSLSG-QGZVFWFLSA-N 2 2 347.507 1.764 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001032944010 710918117 /nfs/dbraw/zinc/91/81/17/710918117.db2.gz HPIICEQKVONBJA-GJZGRUSLSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001032944010 710918121 /nfs/dbraw/zinc/91/81/21/710918121.db2.gz HPIICEQKVONBJA-GJZGRUSLSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001032944010 710918131 /nfs/dbraw/zinc/91/81/31/710918131.db2.gz HPIICEQKVONBJA-GJZGRUSLSA-N 2 2 336.867 1.862 20 0 EDADLP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1)C(N)=O ZINC001034730959 710928684 /nfs/dbraw/zinc/92/86/84/710928684.db2.gz FIMVEDZAPYDLBX-SYQHCUMBSA-N 2 2 347.463 1.111 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)CCO1 ZINC001034744303 710951588 /nfs/dbraw/zinc/95/15/88/710951588.db2.gz PEMGPMTUBJQEJH-VGWMRTNUSA-N 2 2 334.464 1.784 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ncccn2)CC1 ZINC001034786323 711090044 /nfs/dbraw/zinc/09/00/44/711090044.db2.gz LXIXMAPWDSPECX-RBSFLKMASA-N 2 2 342.447 1.829 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003976947 711147773 /nfs/dbraw/zinc/14/77/73/711147773.db2.gz UNVLIJUDMMXNKU-UHFFFAOYSA-N 2 2 326.391 1.589 20 0 EDADLP Cc1nc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2)co1 ZINC001034831723 711238035 /nfs/dbraw/zinc/23/80/35/711238035.db2.gz WPSKWEQBBJPNDS-KRWDZBQOSA-N 2 2 342.443 1.841 20 0 EDADLP Cc1nc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)co1 ZINC001034831723 711238037 /nfs/dbraw/zinc/23/80/37/711238037.db2.gz WPSKWEQBBJPNDS-KRWDZBQOSA-N 2 2 342.443 1.841 20 0 EDADLP Cc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001034956447 711425954 /nfs/dbraw/zinc/42/59/54/711425954.db2.gz RSQQRHBCCNKRIA-OAHLLOKOSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC001004146624 711557395 /nfs/dbraw/zinc/55/73/95/711557395.db2.gz YVPGZOPCMYMRPN-WCQYABFASA-N 2 2 337.493 1.440 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001004146624 711557397 /nfs/dbraw/zinc/55/73/97/711557397.db2.gz YVPGZOPCMYMRPN-WCQYABFASA-N 2 2 337.493 1.440 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC001004146626 711557506 /nfs/dbraw/zinc/55/75/06/711557506.db2.gz YVPGZOPCMYMRPN-YPMHNXCESA-N 2 2 337.493 1.440 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001004146626 711557508 /nfs/dbraw/zinc/55/75/08/711557508.db2.gz YVPGZOPCMYMRPN-YPMHNXCESA-N 2 2 337.493 1.440 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004500196 711884203 /nfs/dbraw/zinc/88/42/03/711884203.db2.gz UYKVICZOOAQEBB-KRWDZBQOSA-N 2 2 348.491 1.702 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004500196 711884205 /nfs/dbraw/zinc/88/42/05/711884205.db2.gz UYKVICZOOAQEBB-KRWDZBQOSA-N 2 2 348.491 1.702 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000370536398 712330868 /nfs/dbraw/zinc/33/08/68/712330868.db2.gz SFJOAZQTHWQKFA-ROUUACIJSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000370536398 712330871 /nfs/dbraw/zinc/33/08/71/712330871.db2.gz SFJOAZQTHWQKFA-ROUUACIJSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000370536398 712330874 /nfs/dbraw/zinc/33/08/74/712330874.db2.gz SFJOAZQTHWQKFA-ROUUACIJSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000370536398 712330878 /nfs/dbraw/zinc/33/08/78/712330878.db2.gz SFJOAZQTHWQKFA-ROUUACIJSA-N 2 2 337.508 1.581 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC[N@H+](CC)C1CC1)[NH+]1CCOCC1 ZINC000173503920 282253827 /nfs/dbraw/zinc/25/38/27/282253827.db2.gz PYKRJGHDDZGOQF-QGZVFWFLSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC[N@@H+](CC)C1CC1)[NH+]1CCOCC1 ZINC000173503920 282253831 /nfs/dbraw/zinc/25/38/31/282253831.db2.gz PYKRJGHDDZGOQF-QGZVFWFLSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000174881528 529775967 /nfs/dbraw/zinc/77/59/67/529775967.db2.gz BNIRZWAYCZIKJF-OAHLLOKOSA-N 2 2 335.496 1.969 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000174881528 529775968 /nfs/dbraw/zinc/77/59/68/529775968.db2.gz BNIRZWAYCZIKJF-OAHLLOKOSA-N 2 2 335.496 1.969 20 0 EDADLP CN1CC[NH+](CCCC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000559738718 306258143 /nfs/dbraw/zinc/25/81/43/306258143.db2.gz KCHGPFHYKBQXLA-QGZVFWFLSA-N 2 2 346.454 1.650 20 0 EDADLP C[NH+]1CCC(CNC(=O)CC2CCOCC2)([NH+]2CCCCC2)CC1 ZINC000172752750 530049294 /nfs/dbraw/zinc/04/92/94/530049294.db2.gz ZOPLHYDXJKYBAO-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000560453078 306269147 /nfs/dbraw/zinc/26/91/47/306269147.db2.gz ZXCLMYJZZKYWFA-GOSISDBHSA-N 2 2 328.416 1.156 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000560453078 306269148 /nfs/dbraw/zinc/26/91/48/306269148.db2.gz ZXCLMYJZZKYWFA-GOSISDBHSA-N 2 2 328.416 1.156 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)N1CC[NH+](C)CC1 ZINC000332743211 539598792 /nfs/dbraw/zinc/59/87/92/539598792.db2.gz MVRXKCLBELYPCZ-LSDHHAIUSA-N 2 2 347.507 1.248 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)CCC2 ZINC000332680143 539600836 /nfs/dbraw/zinc/60/08/36/539600836.db2.gz HCIDXTJWBVBHKA-HUUCEWRRSA-N 2 2 335.452 1.041 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[N@@H+]3CCCC[C@H]3C1)CCC2 ZINC000332712840 539601513 /nfs/dbraw/zinc/60/15/13/539601513.db2.gz NODBHKZHJSXNFT-CVEARBPZSA-N 2 2 331.464 1.949 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[N@H+]3CCCC[C@H]3C1)CCC2 ZINC000332712840 539601518 /nfs/dbraw/zinc/60/15/18/539601518.db2.gz NODBHKZHJSXNFT-CVEARBPZSA-N 2 2 331.464 1.949 20 0 EDADLP CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246575635 539630205 /nfs/dbraw/zinc/63/02/05/539630205.db2.gz MANNMNKWNHFPTB-IAGOWNOFSA-N 2 2 345.553 1.995 20 0 EDADLP CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246575635 539630210 /nfs/dbraw/zinc/63/02/10/539630210.db2.gz MANNMNKWNHFPTB-IAGOWNOFSA-N 2 2 345.553 1.995 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000179582409 233189313 /nfs/dbraw/zinc/18/93/13/233189313.db2.gz HIMVQUGJDMZMRZ-UHFFFAOYSA-N 2 2 342.443 1.991 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)n1 ZINC000562317690 306294982 /nfs/dbraw/zinc/29/49/82/306294982.db2.gz NSVBMHROAXUTTB-UHFFFAOYSA-N 2 2 342.399 1.594 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000562414909 306298010 /nfs/dbraw/zinc/29/80/10/306298010.db2.gz PJTSTCYCQGFLKQ-DOTOQJQBSA-N 2 2 332.448 1.975 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000562414909 306298011 /nfs/dbraw/zinc/29/80/11/306298011.db2.gz PJTSTCYCQGFLKQ-DOTOQJQBSA-N 2 2 332.448 1.975 20 0 EDADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(-n2cnnn2)c1 ZINC000153101802 539855509 /nfs/dbraw/zinc/85/55/09/539855509.db2.gz CGMHRDZLIFYLKD-LSDHHAIUSA-N 2 2 330.436 1.281 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000562659280 306305231 /nfs/dbraw/zinc/30/52/31/306305231.db2.gz MFPBONJZUPTVLM-DLBZAZTESA-N 2 2 340.512 1.469 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000562659280 306305232 /nfs/dbraw/zinc/30/52/32/306305232.db2.gz MFPBONJZUPTVLM-DLBZAZTESA-N 2 2 340.512 1.469 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCCOCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000562792766 306309131 /nfs/dbraw/zinc/30/91/31/306309131.db2.gz NFZVKVQLPKVIDO-GOSISDBHSA-N 2 2 348.491 1.310 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCCOCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000562792766 306309132 /nfs/dbraw/zinc/30/91/32/306309132.db2.gz NFZVKVQLPKVIDO-GOSISDBHSA-N 2 2 348.491 1.310 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000562809087 306310125 /nfs/dbraw/zinc/31/01/25/306310125.db2.gz XFIBUTZXGJGVJO-OWCLPIDISA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000562809087 306310126 /nfs/dbraw/zinc/31/01/26/306310126.db2.gz XFIBUTZXGJGVJO-OWCLPIDISA-N 2 2 338.402 1.747 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000362174211 540004975 /nfs/dbraw/zinc/00/49/75/540004975.db2.gz VFLSAQYXGYYZOA-BDXSIMOUSA-N 2 2 327.513 1.120 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000362174211 540004979 /nfs/dbraw/zinc/00/49/79/540004979.db2.gz VFLSAQYXGYYZOA-BDXSIMOUSA-N 2 2 327.513 1.120 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000362174211 540004981 /nfs/dbraw/zinc/00/49/81/540004981.db2.gz VFLSAQYXGYYZOA-BDXSIMOUSA-N 2 2 327.513 1.120 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000362174211 540004984 /nfs/dbraw/zinc/00/49/84/540004984.db2.gz VFLSAQYXGYYZOA-BDXSIMOUSA-N 2 2 327.513 1.120 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000072874802 138211792 /nfs/dbraw/zinc/21/17/92/138211792.db2.gz GFNMESMXQRRGSH-MRXNPFEDSA-N 2 2 343.471 1.750 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000072874802 138211793 /nfs/dbraw/zinc/21/17/93/138211793.db2.gz GFNMESMXQRRGSH-MRXNPFEDSA-N 2 2 343.471 1.750 20 0 EDADLP CC[C@H](CSC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000089265140 138273836 /nfs/dbraw/zinc/27/38/36/138273836.db2.gz ZEBFLWLRHSENAN-CQSZACIVSA-N 2 2 342.553 1.986 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)cn21 ZINC000563585131 306340005 /nfs/dbraw/zinc/34/00/05/306340005.db2.gz IQZSPBANFCXOIR-JKSUJKDBSA-N 2 2 327.432 1.830 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)CC1 ZINC000119142718 138313494 /nfs/dbraw/zinc/31/34/94/138313494.db2.gz HAUDJRYAKHKVED-INIZCTEOSA-N 2 2 345.553 1.159 20 0 EDADLP Cc1ccc(C)c(OC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000120813360 138316350 /nfs/dbraw/zinc/31/63/50/138316350.db2.gz VQYRZHIHLCEFQM-UHFFFAOYSA-N 2 2 345.487 1.921 20 0 EDADLP C[C@@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918568 138302842 /nfs/dbraw/zinc/30/28/42/138302842.db2.gz YEEBPGBXWXEXML-NSHDSACASA-N 2 2 332.370 1.742 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3cc(C)ccc3C)C2)CC1 ZINC000107370009 138304237 /nfs/dbraw/zinc/30/42/37/138304237.db2.gz CRQIGBISZMEMEE-SFHVURJKSA-N 2 2 344.503 1.954 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3cc(C)ccc3C)C2)CC1 ZINC000107370009 138304238 /nfs/dbraw/zinc/30/42/38/138304238.db2.gz CRQIGBISZMEMEE-SFHVURJKSA-N 2 2 344.503 1.954 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCOc2cccc(F)c2)CC[N@@H+]1C ZINC000123906760 138322283 /nfs/dbraw/zinc/32/22/83/138322283.db2.gz XRFHEXQIFPCKKJ-GDBMZVCRSA-N 2 2 337.439 1.735 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCOc2cccc(F)c2)CC[N@H+]1C ZINC000123906760 138322284 /nfs/dbraw/zinc/32/22/84/138322284.db2.gz XRFHEXQIFPCKKJ-GDBMZVCRSA-N 2 2 337.439 1.735 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCCOc2cccc(F)c2)CC[NH+]1C ZINC000123906760 138322285 /nfs/dbraw/zinc/32/22/85/138322285.db2.gz XRFHEXQIFPCKKJ-GDBMZVCRSA-N 2 2 337.439 1.735 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCOc2cccc(F)c2)CC[NH+]1C ZINC000123906760 138322286 /nfs/dbraw/zinc/32/22/86/138322286.db2.gz XRFHEXQIFPCKKJ-GDBMZVCRSA-N 2 2 337.439 1.735 20 0 EDADLP CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000133069722 138388046 /nfs/dbraw/zinc/38/80/46/138388046.db2.gz UMTHGHBAHSARBG-UHFFFAOYSA-N 2 2 347.459 1.226 20 0 EDADLP CC[NH+]1CCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000133069722 138388048 /nfs/dbraw/zinc/38/80/48/138388048.db2.gz UMTHGHBAHSARBG-UHFFFAOYSA-N 2 2 347.459 1.226 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)CC[N@@H+]1CCOC ZINC000563814936 306348383 /nfs/dbraw/zinc/34/83/83/306348383.db2.gz YOYHJRIIFPDAEA-GXTWGEPZSA-N 2 2 326.466 1.102 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)CC[N@H+]1CCOC ZINC000563814936 306348384 /nfs/dbraw/zinc/34/83/84/306348384.db2.gz YOYHJRIIFPDAEA-GXTWGEPZSA-N 2 2 326.466 1.102 20 0 EDADLP CCCN1C(=O)CC[C@@H](C(=O)N(C)CC[NH+](C)C)[C@H]1c1c[nH+]cn1C ZINC000356289155 283311099 /nfs/dbraw/zinc/31/10/99/283311099.db2.gz WDMDVZXRKNUKCH-PBHICJAKSA-N 2 2 349.479 1.130 20 0 EDADLP C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000563943999 306352841 /nfs/dbraw/zinc/35/28/41/306352841.db2.gz PAPGQYAZYTYUNM-UHFFFAOYSA-N 2 2 329.404 1.121 20 0 EDADLP CC1CC[NH+](CCCC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564722359 306363681 /nfs/dbraw/zinc/36/36/81/306363681.db2.gz KWTPISDPNJTWAE-OTWHNJEPSA-N 3 2 341.540 1.558 20 0 EDADLP CC1CC[NH+](CCCC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564722359 306363682 /nfs/dbraw/zinc/36/36/82/306363682.db2.gz KWTPISDPNJTWAE-OTWHNJEPSA-N 3 2 341.540 1.558 20 0 EDADLP O=C(CC[NH2+]C1CC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000565218616 306379020 /nfs/dbraw/zinc/37/90/20/306379020.db2.gz ZMEFBUPWVKZFTO-UHFFFAOYSA-N 2 2 347.459 1.156 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)CC2 ZINC000565379384 306382281 /nfs/dbraw/zinc/38/22/81/306382281.db2.gz CKOCRALCMXDDCA-OAHLLOKOSA-N 2 2 325.416 1.498 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000072947065 216329409 /nfs/dbraw/zinc/32/94/09/216329409.db2.gz NEFIKPUJEUPVMN-HNNXBMFYSA-N 2 2 334.439 1.110 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000414356680 304111181 /nfs/dbraw/zinc/11/11/81/304111181.db2.gz GCGYLIUOSRLCAX-LJQANCHMSA-N 2 2 343.475 1.213 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000414356680 304111183 /nfs/dbraw/zinc/11/11/83/304111183.db2.gz GCGYLIUOSRLCAX-LJQANCHMSA-N 2 2 343.475 1.213 20 0 EDADLP CN(C)c1[nH+]cc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000414356680 304111185 /nfs/dbraw/zinc/11/11/85/304111185.db2.gz GCGYLIUOSRLCAX-LJQANCHMSA-N 2 2 343.475 1.213 20 0 EDADLP CN(C)c1[nH+]cc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000414356680 304111188 /nfs/dbraw/zinc/11/11/88/304111188.db2.gz GCGYLIUOSRLCAX-LJQANCHMSA-N 2 2 343.475 1.213 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)n1C ZINC000414367430 304112366 /nfs/dbraw/zinc/11/23/66/304112366.db2.gz QQBPJIGSTMIMLG-LLVKDONJSA-N 2 2 349.385 1.659 20 0 EDADLP C[C@@](O)(C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000566063515 306397269 /nfs/dbraw/zinc/39/72/69/306397269.db2.gz ZBTMSIAVVFTYTP-OAHLLOKOSA-N 3 2 346.397 1.497 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]2CCCCN12 ZINC000566128446 306399123 /nfs/dbraw/zinc/39/91/23/306399123.db2.gz DCCDUYFDNKSPTL-QYZOEREBSA-N 2 2 343.471 1.149 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]2CCCCN12 ZINC000566128446 306399124 /nfs/dbraw/zinc/39/91/24/306399124.db2.gz DCCDUYFDNKSPTL-QYZOEREBSA-N 2 2 343.471 1.149 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H]([C@@H](C)O)C2)CC1 ZINC000414595502 304125141 /nfs/dbraw/zinc/12/51/41/304125141.db2.gz TUBOHOPSLMBUIO-YLJYHZDGSA-N 2 2 347.503 1.800 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H]([C@@H](C)O)C2)CC1 ZINC000414595502 304125143 /nfs/dbraw/zinc/12/51/43/304125143.db2.gz TUBOHOPSLMBUIO-YLJYHZDGSA-N 2 2 347.503 1.800 20 0 EDADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cc1Cl ZINC000415094342 304159049 /nfs/dbraw/zinc/15/90/49/304159049.db2.gz JUTOXERUPXJCIJ-GXTWGEPZSA-N 2 2 325.840 1.944 20 0 EDADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000271361590 284279021 /nfs/dbraw/zinc/27/90/21/284279021.db2.gz PQPYRGRHYCIXNF-GJZGRUSLSA-N 2 2 336.436 1.121 20 0 EDADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000271361590 284279023 /nfs/dbraw/zinc/27/90/23/284279023.db2.gz PQPYRGRHYCIXNF-GJZGRUSLSA-N 2 2 336.436 1.121 20 0 EDADLP C[NH+](C)CCCCC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000567258955 306444718 /nfs/dbraw/zinc/44/47/18/306444718.db2.gz ZVLBTRYOORHHSR-UHFFFAOYSA-N 2 2 343.475 1.710 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000415149588 304165498 /nfs/dbraw/zinc/16/54/98/304165498.db2.gz OGRZAUQINNVHJY-YOEHRIQHSA-N 2 2 332.448 1.905 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000236775742 139030976 /nfs/dbraw/zinc/03/09/76/139030976.db2.gz SZBNTIPECBSZBS-KRWDZBQOSA-N 2 2 349.475 1.866 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000236911686 139035070 /nfs/dbraw/zinc/03/50/70/139035070.db2.gz SPMKZXIDBYZRCW-PBHICJAKSA-N 2 2 329.448 1.352 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000111445635 220156981 /nfs/dbraw/zinc/15/69/81/220156981.db2.gz WYDYFFXVASNXHC-MRXNPFEDSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000111445635 220156984 /nfs/dbraw/zinc/15/69/84/220156984.db2.gz WYDYFFXVASNXHC-MRXNPFEDSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000237663255 139057360 /nfs/dbraw/zinc/05/73/60/139057360.db2.gz BZYZCMOZDKFTPO-KHYOSLBOSA-N 2 2 346.475 1.844 20 0 EDADLP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245963018 139091285 /nfs/dbraw/zinc/09/12/85/139091285.db2.gz MVGWSHNXLWFDQE-WXCOAYGQSA-N 2 2 336.524 1.532 20 0 EDADLP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245963018 139091286 /nfs/dbraw/zinc/09/12/86/139091286.db2.gz MVGWSHNXLWFDQE-WXCOAYGQSA-N 2 2 336.524 1.532 20 0 EDADLP CC[C@@H](C)NC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245963018 139091287 /nfs/dbraw/zinc/09/12/87/139091287.db2.gz MVGWSHNXLWFDQE-WXCOAYGQSA-N 2 2 336.524 1.532 20 0 EDADLP CC[C@@H](C)NC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245963018 139091288 /nfs/dbraw/zinc/09/12/88/139091288.db2.gz MVGWSHNXLWFDQE-WXCOAYGQSA-N 2 2 336.524 1.532 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000415292342 304187608 /nfs/dbraw/zinc/18/76/08/304187608.db2.gz BGLCPONVPVAZTQ-AWEZNQCLSA-N 2 2 340.383 1.633 20 0 EDADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cn1 ZINC000246433600 139108101 /nfs/dbraw/zinc/10/81/01/139108101.db2.gz CTEGMQCGHGGNCW-JLSDUUJJSA-N 2 2 343.475 1.474 20 0 EDADLP Cn1cc(N2CC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cn1 ZINC000246433600 139108103 /nfs/dbraw/zinc/10/81/03/139108103.db2.gz CTEGMQCGHGGNCW-JLSDUUJJSA-N 2 2 343.475 1.474 20 0 EDADLP Cn1cc(N2CC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cn1 ZINC000246433600 139108104 /nfs/dbraw/zinc/10/81/04/139108104.db2.gz CTEGMQCGHGGNCW-JLSDUUJJSA-N 2 2 343.475 1.474 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246776873 139121139 /nfs/dbraw/zinc/12/11/39/139121139.db2.gz OKZPJJNFARDKPE-AEFFLSMTSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246776873 139121140 /nfs/dbraw/zinc/12/11/40/139121140.db2.gz OKZPJJNFARDKPE-AEFFLSMTSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000247026674 139132081 /nfs/dbraw/zinc/13/20/81/139132081.db2.gz NGOMZWVFPJQRPW-PKOBYXMFSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000247026674 139132082 /nfs/dbraw/zinc/13/20/82/139132082.db2.gz NGOMZWVFPJQRPW-PKOBYXMFSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH+](C)CC(=O)NC(N)=O ZINC000247566612 139152452 /nfs/dbraw/zinc/15/24/52/139152452.db2.gz SAXCDHNOQIEQNC-HALDLXJZSA-N 2 2 332.448 1.270 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH+](C)CC(=O)NC(N)=O ZINC000247566612 139152453 /nfs/dbraw/zinc/15/24/53/139152453.db2.gz SAXCDHNOQIEQNC-HALDLXJZSA-N 2 2 332.448 1.270 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[N@H+](C)CC(=O)NC(N)=O ZINC000247566612 139152454 /nfs/dbraw/zinc/15/24/54/139152454.db2.gz SAXCDHNOQIEQNC-HALDLXJZSA-N 2 2 332.448 1.270 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1[N@@H+](C)CC(=O)NC(N)=O ZINC000247566612 139152455 /nfs/dbraw/zinc/15/24/55/139152455.db2.gz SAXCDHNOQIEQNC-HALDLXJZSA-N 2 2 332.448 1.270 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000247886500 139155433 /nfs/dbraw/zinc/15/54/33/139155433.db2.gz DFBLCBXUJHTNSZ-IEBWSBKVSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000247886500 139155434 /nfs/dbraw/zinc/15/54/34/139155434.db2.gz DFBLCBXUJHTNSZ-IEBWSBKVSA-N 2 2 346.519 1.992 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCOc3cccc(F)c3)CC[C@H]21 ZINC000247921238 139155645 /nfs/dbraw/zinc/15/56/45/139155645.db2.gz BEICXIMSBWPVCX-CRAIPNDOSA-N 2 2 349.450 1.737 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCOc3cccc(F)c3)CC[C@H]21 ZINC000247921238 139155646 /nfs/dbraw/zinc/15/56/46/139155646.db2.gz BEICXIMSBWPVCX-CRAIPNDOSA-N 2 2 349.450 1.737 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCCOc3cccc(F)c3)CC[C@H]21 ZINC000247921238 139155647 /nfs/dbraw/zinc/15/56/47/139155647.db2.gz BEICXIMSBWPVCX-CRAIPNDOSA-N 2 2 349.450 1.737 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCCOc3cccc(F)c3)CC[C@H]21 ZINC000247921238 139155648 /nfs/dbraw/zinc/15/56/48/139155648.db2.gz BEICXIMSBWPVCX-CRAIPNDOSA-N 2 2 349.450 1.737 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC[C@@H]21 ZINC000248011340 139157424 /nfs/dbraw/zinc/15/74/24/139157424.db2.gz LHUODWVHNGNJJO-VSZNYVQBSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC[C@@H]21 ZINC000248011340 139157425 /nfs/dbraw/zinc/15/74/25/139157425.db2.gz LHUODWVHNGNJJO-VSZNYVQBSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC[C@@H]21 ZINC000248011340 139157426 /nfs/dbraw/zinc/15/74/26/139157426.db2.gz LHUODWVHNGNJJO-VSZNYVQBSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC[C@@H]21 ZINC000248011340 139157427 /nfs/dbraw/zinc/15/74/27/139157427.db2.gz LHUODWVHNGNJJO-VSZNYVQBSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000248041303 139157566 /nfs/dbraw/zinc/15/75/66/139157566.db2.gz SYWMAYNBZURBOS-OWCLPIDISA-N 2 2 344.463 1.812 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000248041303 139157567 /nfs/dbraw/zinc/15/75/67/139157567.db2.gz SYWMAYNBZURBOS-OWCLPIDISA-N 2 2 344.463 1.812 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C)[C@H](C)[NH3+])CCCC2)no1 ZINC000493760984 284738564 /nfs/dbraw/zinc/73/85/64/284738564.db2.gz ASPHYWMPGGNEPJ-STQMWFEESA-N 2 2 337.468 1.780 20 0 EDADLP CCOCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000093312403 218213400 /nfs/dbraw/zinc/21/34/00/218213400.db2.gz BOECUHDFVSOIOM-UHFFFAOYSA-N 2 2 349.475 1.308 20 0 EDADLP CCOCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000093312403 218213403 /nfs/dbraw/zinc/21/34/03/218213403.db2.gz BOECUHDFVSOIOM-UHFFFAOYSA-N 2 2 349.475 1.308 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@H]21 ZINC000252653223 139204827 /nfs/dbraw/zinc/20/48/27/139204827.db2.gz RMHGBVMCVHWGHL-GOEBONIOSA-N 2 2 342.443 1.388 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@H]21 ZINC000252653223 139204828 /nfs/dbraw/zinc/20/48/28/139204828.db2.gz RMHGBVMCVHWGHL-GOEBONIOSA-N 2 2 342.443 1.388 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@H]21 ZINC000252653223 139204829 /nfs/dbraw/zinc/20/48/29/139204829.db2.gz RMHGBVMCVHWGHL-GOEBONIOSA-N 2 2 342.443 1.388 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@H]21 ZINC000252653223 139204830 /nfs/dbraw/zinc/20/48/30/139204830.db2.gz RMHGBVMCVHWGHL-GOEBONIOSA-N 2 2 342.443 1.388 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)c1 ZINC000261759467 139223646 /nfs/dbraw/zinc/22/36/46/139223646.db2.gz NXXNOKUHGINPCG-CYBMUJFWSA-N 2 2 331.420 1.416 20 0 EDADLP C[C@]([NH3+])(C(=O)NCCc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000261815070 139228340 /nfs/dbraw/zinc/22/83/40/139228340.db2.gz SCULAGGKLVZZFP-CQSZACIVSA-N 2 2 337.221 1.705 20 0 EDADLP c1nnc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)n1-c1ccccc1 ZINC000261914336 139236428 /nfs/dbraw/zinc/23/64/28/139236428.db2.gz JKVGHULCTWHRDE-BRWVUGGUSA-N 2 2 327.432 1.514 20 0 EDADLP C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000261922796 139237262 /nfs/dbraw/zinc/23/72/62/139237262.db2.gz YZBPONQVQGZVEY-QAPCUYQASA-N 2 2 331.460 1.718 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261966110 139240530 /nfs/dbraw/zinc/24/05/30/139240530.db2.gz QBBOVHFGAAASAQ-QRVBRYPASA-N 3 2 338.540 1.007 20 0 EDADLP COc1cc(Br)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(OC)c1 ZINC000262129468 139253376 /nfs/dbraw/zinc/25/33/76/139253376.db2.gz NSEGFCSHKDTYQL-TVQRCGJNSA-N 2 2 345.237 1.136 20 0 EDADLP CC(C)(C)c1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262134113 139253898 /nfs/dbraw/zinc/25/38/98/139253898.db2.gz DHINLRGFTDZIIN-KGLIPLIRSA-N 2 2 349.479 1.447 20 0 EDADLP CC(C)(C)c1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262134113 139253899 /nfs/dbraw/zinc/25/38/99/139253899.db2.gz DHINLRGFTDZIIN-KGLIPLIRSA-N 2 2 349.479 1.447 20 0 EDADLP COC[C@@H]([NH3+])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000262296707 139267700 /nfs/dbraw/zinc/26/77/00/139267700.db2.gz NLLXZLBWQYLCCG-KGLIPLIRSA-N 2 2 343.830 1.706 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[C@H]3C[NH3+])c[nH+]2)CCO1 ZINC000416993289 251121914 /nfs/dbraw/zinc/12/19/14/251121914.db2.gz SANREDBMLWRASP-KBMXLJTQSA-N 2 2 347.463 1.233 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416996555 251123356 /nfs/dbraw/zinc/12/33/56/251123356.db2.gz WYIVNLJVQVHSQV-IIAWOOMASA-N 2 2 349.479 1.478 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417024191 251140007 /nfs/dbraw/zinc/14/00/07/251140007.db2.gz KKWRVGGPMAMKAH-RDJZCZTQSA-N 2 2 334.464 1.487 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000262344942 139271767 /nfs/dbraw/zinc/27/17/67/139271767.db2.gz UAIUOFXMNVJLQA-KDOFPFPSSA-N 2 2 347.459 1.206 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000417657727 251214863 /nfs/dbraw/zinc/21/48/63/251214863.db2.gz IALBQAKVNUOIAB-RISCZKNCSA-N 2 2 326.391 1.476 20 0 EDADLP C[C@H](c1cccc(NC(=O)C[C@@H]2COCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000262472398 139281326 /nfs/dbraw/zinc/28/13/26/139281326.db2.gz YLQZUCPWFPKJHG-RHSMWYFYSA-N 2 2 333.432 1.397 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC2CCC([NH3+])CC2)nc[nH+]1 ZINC000417781257 251267589 /nfs/dbraw/zinc/26/75/89/251267589.db2.gz WLMAGTGVQZRWCS-RUXDESIVSA-N 2 2 347.467 1.056 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC2CCC([NH3+])CC2)[nH+]cn1 ZINC000417781257 251267592 /nfs/dbraw/zinc/26/75/92/251267592.db2.gz WLMAGTGVQZRWCS-RUXDESIVSA-N 2 2 347.467 1.056 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@H]1[NH3+] ZINC000417846675 251295713 /nfs/dbraw/zinc/29/57/13/251295713.db2.gz PWKWNHYQMFZLQG-GDBMZVCRSA-N 2 2 327.432 1.614 20 0 EDADLP CCn1nncc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000417870901 251307300 /nfs/dbraw/zinc/30/73/00/251307300.db2.gz MDSBSBSFGVCQPL-UHFFFAOYSA-N 2 2 328.464 1.335 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[NH2+]CC3CC3)CC2)c1 ZINC000262634543 139291869 /nfs/dbraw/zinc/29/18/69/139291869.db2.gz HCKIQTUSXNWMGE-HNNXBMFYSA-N 2 2 331.460 1.900 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCN([C@@H]4CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000420261473 251660737 /nfs/dbraw/zinc/66/07/37/251660737.db2.gz PIQCHVASHYUFJE-JKSUJKDBSA-N 2 2 330.480 1.197 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000422875338 252008251 /nfs/dbraw/zinc/00/82/51/252008251.db2.gz DULRFNKQXWXMGR-RBUKOAKNSA-N 3 2 344.503 1.681 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@@]2(CCO)CCOC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422893084 252014303 /nfs/dbraw/zinc/01/43/03/252014303.db2.gz OQTOKFWOWUHTMQ-GBESFXJTSA-N 2 2 334.460 1.867 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[NH2+]1 ZINC000422908339 252017874 /nfs/dbraw/zinc/01/78/74/252017874.db2.gz YGWNMMGHZGJSHU-XPKDYRNWSA-N 2 2 333.432 1.041 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)CC[NH2+]CC1 ZINC000423005852 252024330 /nfs/dbraw/zinc/02/43/30/252024330.db2.gz NFQXOJLIRCHYSU-CVEARBPZSA-N 3 2 348.491 1.980 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1I ZINC000423413112 252053735 /nfs/dbraw/zinc/05/37/35/252053735.db2.gz YEGHVJXTYPGSCR-KWBADKCTSA-N 2 2 346.212 1.522 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000423514285 252058492 /nfs/dbraw/zinc/05/84/92/252058492.db2.gz MIIMKENKIXDLDQ-CZUORRHYSA-N 2 2 340.493 1.002 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423863633 252096435 /nfs/dbraw/zinc/09/64/35/252096435.db2.gz AIEGPGAPTOMYBK-MNEFBYGVSA-N 2 2 343.471 1.270 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000423864673 252096551 /nfs/dbraw/zinc/09/65/51/252096551.db2.gz CAIDUEXEYMAFDA-NXHRZFHOSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cc(F)c(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000424157534 252148214 /nfs/dbraw/zinc/14/82/14/252148214.db2.gz PTIOIPZBQRRDPT-ZDUSSCGKSA-N 2 2 325.403 1.950 20 0 EDADLP Cc1cc(F)c(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000424157534 252148219 /nfs/dbraw/zinc/14/82/19/252148219.db2.gz PTIOIPZBQRRDPT-ZDUSSCGKSA-N 2 2 325.403 1.950 20 0 EDADLP [NH3+][C@H](CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)CC1CCCCC1 ZINC000424135424 252138613 /nfs/dbraw/zinc/13/86/13/252138613.db2.gz PFOVUJSXHAXKDU-MSOLQXFVSA-N 2 2 337.508 1.997 20 0 EDADLP COc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181044163 533116421 /nfs/dbraw/zinc/11/64/21/533116421.db2.gz NTHBMXOBFHEQRD-WBVHZDCISA-N 2 2 347.459 1.279 20 0 EDADLP CO[C@H](C)c1noc(CN2CCC[N@H+](CCn3cc[nH+]c3)CC2)n1 ZINC000179465720 533129108 /nfs/dbraw/zinc/12/91/08/533129108.db2.gz WVLVDWQCZMPODU-CQSZACIVSA-N 2 2 334.424 1.181 20 0 EDADLP CO[C@H](C)c1noc(CN2CCC[N@@H+](CCn3cc[nH+]c3)CC2)n1 ZINC000179465720 533129113 /nfs/dbraw/zinc/12/91/13/533129113.db2.gz WVLVDWQCZMPODU-CQSZACIVSA-N 2 2 334.424 1.181 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)C[NH+]1CCCC1 ZINC000490272648 255082865 /nfs/dbraw/zinc/08/28/65/255082865.db2.gz PGZJQSIJWSFINZ-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)C[NH+]1CCCC1 ZINC000490272648 255082867 /nfs/dbraw/zinc/08/28/67/255082867.db2.gz PGZJQSIJWSFINZ-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1ncccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154325022 224237982 /nfs/dbraw/zinc/23/79/82/224237982.db2.gz RUYVEKPJPAFJOF-SJPCQFCGSA-N 2 2 328.460 1.773 20 0 EDADLP Cc1ncccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154325022 224237983 /nfs/dbraw/zinc/23/79/83/224237983.db2.gz RUYVEKPJPAFJOF-SJPCQFCGSA-N 2 2 328.460 1.773 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000570382849 306539808 /nfs/dbraw/zinc/53/98/08/306539808.db2.gz MSXYOEXIMUVJTM-CVEARBPZSA-N 2 2 331.464 1.469 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCCNC(=O)/C=C/c2ccccc2)n1C ZINC000493471004 255210300 /nfs/dbraw/zinc/21/03/00/255210300.db2.gz XMKTXPLCYNIXDB-ZHACJKMWSA-N 2 2 341.459 1.795 20 0 EDADLP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000496496165 255399442 /nfs/dbraw/zinc/39/94/42/255399442.db2.gz KAPMXFXEGHVHPA-MRXNPFEDSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000496496165 255399443 /nfs/dbraw/zinc/39/94/43/255399443.db2.gz KAPMXFXEGHVHPA-MRXNPFEDSA-N 2 2 341.496 1.822 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264027546 139376435 /nfs/dbraw/zinc/37/64/35/139376435.db2.gz YXUIBTLSIIKSJW-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264027546 139376436 /nfs/dbraw/zinc/37/64/36/139376436.db2.gz YXUIBTLSIIKSJW-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842274 221193495 /nfs/dbraw/zinc/19/34/95/221193495.db2.gz XLDIFUDAFTTXNJ-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842274 221193497 /nfs/dbraw/zinc/19/34/97/221193497.db2.gz XLDIFUDAFTTXNJ-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118842274 221193500 /nfs/dbraw/zinc/19/35/00/221193500.db2.gz XLDIFUDAFTTXNJ-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842274 221193504 /nfs/dbraw/zinc/19/35/04/221193504.db2.gz XLDIFUDAFTTXNJ-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000119531459 221341759 /nfs/dbraw/zinc/34/17/59/221341759.db2.gz JSVFCUPBCWQYFB-UHFFFAOYSA-N 2 2 346.479 1.289 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000119531459 221341761 /nfs/dbraw/zinc/34/17/61/221341761.db2.gz JSVFCUPBCWQYFB-UHFFFAOYSA-N 2 2 346.479 1.289 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@@]1(C)C[NH3+] ZINC000415845646 304281195 /nfs/dbraw/zinc/28/11/95/304281195.db2.gz WLNNQFKMGDSGMG-FZKQIMNGSA-N 2 2 341.415 1.254 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)cc1F ZINC000163772019 533561517 /nfs/dbraw/zinc/56/15/17/533561517.db2.gz RJSGXUBBSLRUCA-SFHVURJKSA-N 2 2 335.423 1.478 20 0 EDADLP Cc1c[nH]c(-c2ccccc2NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[nH+]1 ZINC000571166455 306559221 /nfs/dbraw/zinc/55/92/21/306559221.db2.gz GOWCFFKMXAALOB-AWEZNQCLSA-N 2 2 327.388 1.192 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000571414247 306565089 /nfs/dbraw/zinc/56/50/89/306565089.db2.gz JRPVAOYNCPNOJY-BRWVUGGUSA-N 2 2 339.524 1.989 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000270097924 140045214 /nfs/dbraw/zinc/04/52/14/140045214.db2.gz BKXOCMFLNSOGDL-AWEZNQCLSA-N 2 2 341.415 1.361 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000270097924 140045216 /nfs/dbraw/zinc/04/52/16/140045216.db2.gz BKXOCMFLNSOGDL-AWEZNQCLSA-N 2 2 341.415 1.361 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000271317253 140277207 /nfs/dbraw/zinc/27/72/07/140277207.db2.gz NHJZUBOUCHEOJI-HNNXBMFYSA-N 2 2 341.415 1.062 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2nnc3ccccn32)CC1 ZINC000271798901 140352169 /nfs/dbraw/zinc/35/21/69/140352169.db2.gz KRVKSFFBNUQNHF-CQSZACIVSA-N 2 2 345.447 1.798 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000271948610 140377646 /nfs/dbraw/zinc/37/76/46/140377646.db2.gz KAWGRIRHQSSGGI-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000271948610 140377648 /nfs/dbraw/zinc/37/76/48/140377648.db2.gz KAWGRIRHQSSGGI-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000332237248 141144882 /nfs/dbraw/zinc/14/48/82/141144882.db2.gz SAZKEVJXIQEWNI-CVEARBPZSA-N 2 2 338.496 1.809 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000332237248 141144883 /nfs/dbraw/zinc/14/48/83/141144883.db2.gz SAZKEVJXIQEWNI-CVEARBPZSA-N 2 2 338.496 1.809 20 0 EDADLP Cc1nc(N2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)cc[nH+]1 ZINC000332390228 141173726 /nfs/dbraw/zinc/17/37/26/141173726.db2.gz RCJMWBIDHKILIB-UHFFFAOYSA-N 2 2 345.491 1.946 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000332533537 141197747 /nfs/dbraw/zinc/19/77/47/141197747.db2.gz RVPBPDAPIYDJDF-HLLBOEOZSA-N 2 2 331.464 1.468 20 0 EDADLP Cc1nc([C@@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cs1 ZINC000332546496 141200717 /nfs/dbraw/zinc/20/07/17/141200717.db2.gz CEJGBPJYSYNTTB-GFCCVEGCSA-N 2 2 339.509 1.838 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(C)Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000332551943 141201836 /nfs/dbraw/zinc/20/18/36/141201836.db2.gz KTIUJGLJNZNDAX-KBPBESRZSA-N 2 2 337.468 1.449 20 0 EDADLP C[C@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@@H](C[NH3+])C1 ZINC000332558725 141203205 /nfs/dbraw/zinc/20/32/05/141203205.db2.gz UADORQLOIWPAEM-GOEBONIOSA-N 2 2 331.464 1.819 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000333137890 141270342 /nfs/dbraw/zinc/27/03/42/141270342.db2.gz BVZCOLQEPFNNFV-QLFBSQMISA-N 2 2 345.491 1.999 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c2[nH+]ccn21 ZINC000333201228 141280279 /nfs/dbraw/zinc/28/02/79/141280279.db2.gz RGJGTYQESCOCCO-MCIONIFRSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c2[nH+]ccn21 ZINC000333201228 141280280 /nfs/dbraw/zinc/28/02/80/141280280.db2.gz RGJGTYQESCOCCO-MCIONIFRSA-N 2 2 335.452 1.376 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc[nH+]1 ZINC000333598974 141342801 /nfs/dbraw/zinc/34/28/01/141342801.db2.gz WFDLJUOHJAEUJG-KRXQYRFLSA-N 2 2 331.464 1.748 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]cn1 ZINC000333598974 141342802 /nfs/dbraw/zinc/34/28/02/141342802.db2.gz WFDLJUOHJAEUJG-KRXQYRFLSA-N 2 2 331.464 1.748 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)nc[nH+]2)C1 ZINC000333682183 141356327 /nfs/dbraw/zinc/35/63/27/141356327.db2.gz ABJVPXPWKUAXLC-VVLHAWIVSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)nc[nH+]2)C1 ZINC000333682183 141356330 /nfs/dbraw/zinc/35/63/30/141356330.db2.gz ABJVPXPWKUAXLC-VVLHAWIVSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)[nH+]cn2)C1 ZINC000333682183 141356332 /nfs/dbraw/zinc/35/63/32/141356332.db2.gz ABJVPXPWKUAXLC-VVLHAWIVSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)[nH+]cn2)C1 ZINC000333682183 141356335 /nfs/dbraw/zinc/35/63/35/141356335.db2.gz ABJVPXPWKUAXLC-VVLHAWIVSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333742772 141370949 /nfs/dbraw/zinc/37/09/49/141370949.db2.gz XUYGGAQDJQRNPX-NVXWUHKLSA-N 2 2 331.464 1.612 20 0 EDADLP Cc1cccc(NC[C@H]2CC[N@H+](CC3(CS(C)(=O)=O)CC3)C2)[nH+]1 ZINC000339865968 142183354 /nfs/dbraw/zinc/18/33/54/142183354.db2.gz MJRZDOBDGOGNDN-OAHLLOKOSA-N 2 2 337.489 1.949 20 0 EDADLP Cc1cccc(NC[C@H]2CC[N@@H+](CC3(CS(C)(=O)=O)CC3)C2)[nH+]1 ZINC000339865968 142183355 /nfs/dbraw/zinc/18/33/55/142183355.db2.gz MJRZDOBDGOGNDN-OAHLLOKOSA-N 2 2 337.489 1.949 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000340007647 142232440 /nfs/dbraw/zinc/23/24/40/142232440.db2.gz WZIZCURLVFRGTP-OAHLLOKOSA-N 3 2 341.459 1.575 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000340007647 142232441 /nfs/dbraw/zinc/23/24/41/142232441.db2.gz WZIZCURLVFRGTP-OAHLLOKOSA-N 3 2 341.459 1.575 20 0 EDADLP COc1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c(C)c1OC ZINC000342105625 142686455 /nfs/dbraw/zinc/68/64/55/142686455.db2.gz RGDCYNWPDWMDHX-UHFFFAOYSA-N 2 2 349.475 1.654 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000345631290 143114269 /nfs/dbraw/zinc/11/42/69/143114269.db2.gz CKFYAYWMOHRLSY-YJBOKZPZSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000345631290 143114270 /nfs/dbraw/zinc/11/42/70/143114270.db2.gz CKFYAYWMOHRLSY-YJBOKZPZSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000345631530 143114443 /nfs/dbraw/zinc/11/44/43/143114443.db2.gz CWHRGHUBLCZFIK-SJORKVTESA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345631530 143114444 /nfs/dbraw/zinc/11/44/44/143114444.db2.gz CWHRGHUBLCZFIK-SJORKVTESA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H](C)C1 ZINC000346132785 143170981 /nfs/dbraw/zinc/17/09/81/143170981.db2.gz ARQIJHURZKXDSK-YESZJQIVSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H](C)C1 ZINC000346132785 143170982 /nfs/dbraw/zinc/17/09/82/143170982.db2.gz ARQIJHURZKXDSK-YESZJQIVSA-N 2 2 335.492 1.430 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)NCCc2cn3ccccc3[nH+]2)[N@H+](C)C1 ZINC000346135487 143171325 /nfs/dbraw/zinc/17/13/25/143171325.db2.gz UHVZRPVFSVXNFW-HZPDHXFCSA-N 2 2 345.447 1.237 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)NCCc2cn3ccccc3[nH+]2)[N@@H+](C)C1 ZINC000346135487 143171326 /nfs/dbraw/zinc/17/13/26/143171326.db2.gz UHVZRPVFSVXNFW-HZPDHXFCSA-N 2 2 345.447 1.237 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000346271999 143185954 /nfs/dbraw/zinc/18/59/54/143185954.db2.gz RJPRBAGWYYUBAU-XJKSGUPXSA-N 2 2 349.479 1.084 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000346271999 143185955 /nfs/dbraw/zinc/18/59/55/143185955.db2.gz RJPRBAGWYYUBAU-XJKSGUPXSA-N 2 2 349.479 1.084 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(Br)s2)C1 ZINC000347075707 143279600 /nfs/dbraw/zinc/27/96/00/143279600.db2.gz UNMKXKHKFKHQAA-VIFPVBQESA-N 2 2 347.282 1.193 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(Br)s2)C1 ZINC000347075707 143279601 /nfs/dbraw/zinc/27/96/01/143279601.db2.gz UNMKXKHKFKHQAA-VIFPVBQESA-N 2 2 347.282 1.193 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000346602000 143221089 /nfs/dbraw/zinc/22/10/89/143221089.db2.gz HXVXRHUXZJHTGC-SQNIBIBYSA-N 3 2 327.513 1.170 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000346602000 143221090 /nfs/dbraw/zinc/22/10/90/143221090.db2.gz HXVXRHUXZJHTGC-SQNIBIBYSA-N 3 2 327.513 1.170 20 0 EDADLP C[C@H]1CCCN(C(=O)C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000346669614 143229331 /nfs/dbraw/zinc/22/93/31/143229331.db2.gz KLVUNHSGMJGZKO-ROUUACIJSA-N 2 2 336.524 1.347 20 0 EDADLP C[C@H]1CCCN(C(=O)C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000346669614 143229332 /nfs/dbraw/zinc/22/93/32/143229332.db2.gz KLVUNHSGMJGZKO-ROUUACIJSA-N 2 2 336.524 1.347 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC[N@@H+]1C ZINC000346685285 143231575 /nfs/dbraw/zinc/23/15/75/143231575.db2.gz XWLDNGQJQKXMCV-ZACQAIPSSA-N 2 2 330.476 1.953 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC[N@H+]1C ZINC000346685285 143231576 /nfs/dbraw/zinc/23/15/76/143231576.db2.gz XWLDNGQJQKXMCV-ZACQAIPSSA-N 2 2 330.476 1.953 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[N@H+](C)C1 ZINC000346703121 143234684 /nfs/dbraw/zinc/23/46/84/143234684.db2.gz VRPSKUPYWKZBDR-ZWKOTPCHSA-N 2 2 342.443 1.723 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[N@@H+](C)C1 ZINC000346703121 143234685 /nfs/dbraw/zinc/23/46/85/143234685.db2.gz VRPSKUPYWKZBDR-ZWKOTPCHSA-N 2 2 342.443 1.723 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)cn1 ZINC000347545491 143333586 /nfs/dbraw/zinc/33/35/86/143333586.db2.gz CVSMAKPZGBBVDY-UHFFFAOYSA-N 2 2 339.443 1.371 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)cn1 ZINC000347545491 143333587 /nfs/dbraw/zinc/33/35/87/143333587.db2.gz CVSMAKPZGBBVDY-UHFFFAOYSA-N 2 2 339.443 1.371 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000347712726 143352998 /nfs/dbraw/zinc/35/29/98/143352998.db2.gz BAXQQWSMBQNGMW-GJZGRUSLSA-N 2 2 334.464 1.761 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000347712726 143352999 /nfs/dbraw/zinc/35/29/99/143352999.db2.gz BAXQQWSMBQNGMW-GJZGRUSLSA-N 2 2 334.464 1.761 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)C1(C)C ZINC000369842077 155199447 /nfs/dbraw/zinc/19/94/47/155199447.db2.gz SPDUURVEKLWGST-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000369841859 155199520 /nfs/dbraw/zinc/19/95/20/155199520.db2.gz IIUWLQZWBKYQHQ-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000369841859 155199521 /nfs/dbraw/zinc/19/95/21/155199521.db2.gz IIUWLQZWBKYQHQ-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2nccn2C)CC1 ZINC000369841859 155199526 /nfs/dbraw/zinc/19/95/26/155199526.db2.gz IIUWLQZWBKYQHQ-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2nccn2C)CC1 ZINC000369841859 155199529 /nfs/dbraw/zinc/19/95/29/155199529.db2.gz IIUWLQZWBKYQHQ-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2nccn2C)CC1 ZINC000369841859 155199531 /nfs/dbraw/zinc/19/95/31/155199531.db2.gz IIUWLQZWBKYQHQ-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1 ZINC000369841859 155199534 /nfs/dbraw/zinc/19/95/34/155199534.db2.gz IIUWLQZWBKYQHQ-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416856544 304352106 /nfs/dbraw/zinc/35/21/06/304352106.db2.gz CZJZUHJRQUXUCE-UHFFFAOYSA-N 2 2 348.491 1.836 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000352581304 149072724 /nfs/dbraw/zinc/07/27/24/149072724.db2.gz TXBJRVIAGFQGGD-WBVHZDCISA-N 2 2 345.491 1.185 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000352581304 149072726 /nfs/dbraw/zinc/07/27/26/149072726.db2.gz TXBJRVIAGFQGGD-WBVHZDCISA-N 2 2 345.491 1.185 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416894808 304353888 /nfs/dbraw/zinc/35/38/88/304353888.db2.gz RKVPZKZDNJFMDT-FUHWJXTLSA-N 2 2 346.475 1.359 20 0 EDADLP COc1ccccc1-n1nccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352693011 149118224 /nfs/dbraw/zinc/11/82/24/149118224.db2.gz ISTGBKJIDNQTEQ-INIZCTEOSA-N 2 2 341.459 1.360 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352901056 149209349 /nfs/dbraw/zinc/20/93/49/149209349.db2.gz ODMKNLDPIULMQZ-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352901056 149209352 /nfs/dbraw/zinc/20/93/52/149209352.db2.gz ODMKNLDPIULMQZ-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000334093315 286093992 /nfs/dbraw/zinc/09/39/92/286093992.db2.gz PKNJHMRDPNYBRM-UGUYLWEFSA-N 2 2 347.463 1.784 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000353007185 149251067 /nfs/dbraw/zinc/25/10/67/149251067.db2.gz FYYVAAYNROGRJS-DOTOQJQBSA-N 2 2 336.480 1.772 20 0 EDADLP CCC[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC[N@H+]1CCOC ZINC000353265832 149345961 /nfs/dbraw/zinc/34/59/61/149345961.db2.gz MXJBYRGSXDCDGV-MRXNPFEDSA-N 2 2 349.479 1.250 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC[N@@H+]1C ZINC000353369407 149382777 /nfs/dbraw/zinc/38/27/77/149382777.db2.gz GVOKIAZKGDIRHP-QRQLOZEOSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC[N@H+]1C ZINC000353369407 149382779 /nfs/dbraw/zinc/38/27/79/149382779.db2.gz GVOKIAZKGDIRHP-QRQLOZEOSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000573550027 306623842 /nfs/dbraw/zinc/62/38/42/306623842.db2.gz DFLWLWZRHKJMGE-GNSPCKGOSA-N 2 2 349.450 1.702 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000354846480 149993891 /nfs/dbraw/zinc/99/38/91/149993891.db2.gz BFJXVVZXKGLDTL-HZPDHXFCSA-N 2 2 345.422 1.221 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000354861002 150000274 /nfs/dbraw/zinc/00/02/74/150000274.db2.gz FZVWXOFSYMZIGC-NVXWUHKLSA-N 3 2 337.487 1.795 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000355083905 150109166 /nfs/dbraw/zinc/10/91/66/150109166.db2.gz HUDCKQVTZNFTLC-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000355083905 150109168 /nfs/dbraw/zinc/10/91/68/150109168.db2.gz HUDCKQVTZNFTLC-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000355083905 150109170 /nfs/dbraw/zinc/10/91/70/150109170.db2.gz HUDCKQVTZNFTLC-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000355083905 150109172 /nfs/dbraw/zinc/10/91/72/150109172.db2.gz HUDCKQVTZNFTLC-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355111304 150122140 /nfs/dbraw/zinc/12/21/40/150122140.db2.gz NOURNPBAGWZJDO-HZPDHXFCSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355111304 150122143 /nfs/dbraw/zinc/12/21/43/150122143.db2.gz NOURNPBAGWZJDO-HZPDHXFCSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1C1CC[NH+](C)CC1 ZINC000355111304 150122145 /nfs/dbraw/zinc/12/21/45/150122145.db2.gz NOURNPBAGWZJDO-HZPDHXFCSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1C1CC[NH+](C)CC1 ZINC000355111304 150122149 /nfs/dbraw/zinc/12/21/49/150122149.db2.gz NOURNPBAGWZJDO-HZPDHXFCSA-N 3 2 349.523 1.033 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355457498 150276711 /nfs/dbraw/zinc/27/67/11/150276711.db2.gz PPPRKOKXSXSYMI-AEFFLSMTSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355457498 150276712 /nfs/dbraw/zinc/27/67/12/150276712.db2.gz PPPRKOKXSXSYMI-AEFFLSMTSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355457498 150276713 /nfs/dbraw/zinc/27/67/13/150276713.db2.gz PPPRKOKXSXSYMI-AEFFLSMTSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355457498 150276715 /nfs/dbraw/zinc/27/67/15/150276715.db2.gz PPPRKOKXSXSYMI-AEFFLSMTSA-N 2 2 329.444 1.240 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCC[N@@H+]1C ZINC000355558594 150312999 /nfs/dbraw/zinc/31/29/99/150312999.db2.gz AXNSCSYNSRSJSZ-GOEBONIOSA-N 2 2 332.448 1.126 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCC[N@H+]1C ZINC000355558594 150313002 /nfs/dbraw/zinc/31/30/02/150313002.db2.gz AXNSCSYNSRSJSZ-GOEBONIOSA-N 2 2 332.448 1.126 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357467906 151040489 /nfs/dbraw/zinc/04/04/89/151040489.db2.gz BPVFZTRPUNRDOB-BBWFWOEESA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357467906 151040490 /nfs/dbraw/zinc/04/04/90/151040490.db2.gz BPVFZTRPUNRDOB-BBWFWOEESA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357467906 151040492 /nfs/dbraw/zinc/04/04/92/151040492.db2.gz BPVFZTRPUNRDOB-BBWFWOEESA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357467906 151040493 /nfs/dbraw/zinc/04/04/93/151040493.db2.gz BPVFZTRPUNRDOB-BBWFWOEESA-N 2 2 341.496 1.055 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000357566446 151069681 /nfs/dbraw/zinc/06/96/81/151069681.db2.gz GHZFZGCSSGZDAM-LMMKCTJWSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000357566446 151069682 /nfs/dbraw/zinc/06/96/82/151069682.db2.gz GHZFZGCSSGZDAM-LMMKCTJWSA-N 2 2 345.487 1.595 20 0 EDADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644338 151097918 /nfs/dbraw/zinc/09/79/18/151097918.db2.gz HSLWWVPSCBIOSD-OAHLLOKOSA-N 2 2 349.475 1.719 20 0 EDADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644338 151097920 /nfs/dbraw/zinc/09/79/20/151097920.db2.gz HSLWWVPSCBIOSD-OAHLLOKOSA-N 2 2 349.475 1.719 20 0 EDADLP CCc1ccc(CNC(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)s1 ZINC000357646142 151099787 /nfs/dbraw/zinc/09/97/87/151099787.db2.gz KROGVZJQJHJUQW-UHFFFAOYSA-N 2 2 339.505 1.315 20 0 EDADLP CCc1ccc(CNC(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)s1 ZINC000357646142 151099789 /nfs/dbraw/zinc/09/97/89/151099789.db2.gz KROGVZJQJHJUQW-UHFFFAOYSA-N 2 2 339.505 1.315 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000358003703 151230632 /nfs/dbraw/zinc/23/06/32/151230632.db2.gz OAVFXFWWWLNJKH-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000358003703 151230633 /nfs/dbraw/zinc/23/06/33/151230633.db2.gz OAVFXFWWWLNJKH-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000358003703 151230635 /nfs/dbraw/zinc/23/06/35/151230635.db2.gz OAVFXFWWWLNJKH-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000358003703 151230636 /nfs/dbraw/zinc/23/06/36/151230636.db2.gz OAVFXFWWWLNJKH-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000358104545 151272439 /nfs/dbraw/zinc/27/24/39/151272439.db2.gz ZLLVZLMBAYKGDK-CVEARBPZSA-N 2 2 349.479 1.141 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000358104545 151272440 /nfs/dbraw/zinc/27/24/40/151272440.db2.gz ZLLVZLMBAYKGDK-CVEARBPZSA-N 2 2 349.479 1.141 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000358142347 151286303 /nfs/dbraw/zinc/28/63/03/151286303.db2.gz RBOKHHICAAUJON-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000358142347 151286306 /nfs/dbraw/zinc/28/63/06/151286306.db2.gz RBOKHHICAAUJON-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP COc1ccc(Br)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358153774 151289078 /nfs/dbraw/zinc/28/90/78/151289078.db2.gz DMUFXVRYGIDNBO-AWEZNQCLSA-N 2 2 329.238 1.614 20 0 EDADLP COc1ccc(Br)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358153774 151289079 /nfs/dbraw/zinc/28/90/79/151289079.db2.gz DMUFXVRYGIDNBO-AWEZNQCLSA-N 2 2 329.238 1.614 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1=O ZINC000358208627 151306174 /nfs/dbraw/zinc/30/61/74/151306174.db2.gz WLXSUSDXCDWYIP-OLMNPRSZSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000358294335 151329053 /nfs/dbraw/zinc/32/90/53/151329053.db2.gz YXFIUHSBURYKIG-IOASZLSFSA-N 2 2 328.453 1.918 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000358294335 151329055 /nfs/dbraw/zinc/32/90/55/151329055.db2.gz YXFIUHSBURYKIG-IOASZLSFSA-N 2 2 328.453 1.918 20 0 EDADLP CC(C)C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)C(=O)NCC[NH+](C)C ZINC000359672115 151785335 /nfs/dbraw/zinc/78/53/35/151785335.db2.gz JOECYJBDHFLOAR-OAHLLOKOSA-N 2 2 338.500 1.215 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000237623192 292253754 /nfs/dbraw/zinc/25/37/54/292253754.db2.gz XDGZGZQJBPPXNI-KURKYZTESA-N 2 2 331.460 1.612 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000262684090 292253832 /nfs/dbraw/zinc/25/38/32/292253832.db2.gz XDGZGZQJBPPXNI-SQNIBIBYSA-N 2 2 331.460 1.612 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ccccc2F)CC1 ZINC000360551278 152092846 /nfs/dbraw/zinc/09/28/46/152092846.db2.gz LINYFXLTZHUDHV-IBGZPJMESA-N 2 2 346.450 1.160 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ccccc2F)CC1 ZINC000360551278 152092849 /nfs/dbraw/zinc/09/28/49/152092849.db2.gz LINYFXLTZHUDHV-IBGZPJMESA-N 2 2 346.450 1.160 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3noc(COC)n3)CC2)CC1 ZINC000360634289 152133369 /nfs/dbraw/zinc/13/33/69/152133369.db2.gz CULORXBQOGXHJO-UHFFFAOYSA-N 2 2 337.468 1.208 20 0 EDADLP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000360933728 152256182 /nfs/dbraw/zinc/25/61/82/152256182.db2.gz UYTWQPUEOIWWDQ-CRAIPNDOSA-N 2 2 345.487 1.768 20 0 EDADLP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000360933728 152256184 /nfs/dbraw/zinc/25/61/84/152256184.db2.gz UYTWQPUEOIWWDQ-CRAIPNDOSA-N 2 2 345.487 1.768 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccnc(N(C)C)n2)nc[nH+]1 ZINC000361025775 152282476 /nfs/dbraw/zinc/28/24/76/152282476.db2.gz DVJXACUIUGYIPX-AWEZNQCLSA-N 2 2 342.451 1.133 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000363771541 153051883 /nfs/dbraw/zinc/05/18/83/153051883.db2.gz XCBKNTHUJDBKNK-HNAYVOBHSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000363771541 153051885 /nfs/dbraw/zinc/05/18/85/153051885.db2.gz XCBKNTHUJDBKNK-HNAYVOBHSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000363771541 153051890 /nfs/dbraw/zinc/05/18/90/153051890.db2.gz XCBKNTHUJDBKNK-HNAYVOBHSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000363771541 153051892 /nfs/dbraw/zinc/05/18/92/153051892.db2.gz XCBKNTHUJDBKNK-HNAYVOBHSA-N 2 2 331.460 1.222 20 0 EDADLP Cn1c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nnc1C1CC1 ZINC000363800733 153060220 /nfs/dbraw/zinc/06/02/20/153060220.db2.gz NYVPVAORDAFQIC-UHFFFAOYSA-N 2 2 346.523 1.542 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000364241199 153184069 /nfs/dbraw/zinc/18/40/69/153184069.db2.gz ZPTFDTXDCNJUDL-KRWDZBQOSA-N 2 2 329.460 1.429 20 0 EDADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000364255210 153188109 /nfs/dbraw/zinc/18/81/09/153188109.db2.gz IVHUKQNTKBCYEQ-PKOBYXMFSA-N 2 2 345.487 1.969 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@H](NC[C@H]3C[NH+](C4CC4)CCO3)C2)cc1 ZINC000364393357 153226269 /nfs/dbraw/zinc/22/62/69/153226269.db2.gz ZKAUMBYQAJMQHX-ICSRJNTNSA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@H](NC[C@H]3C[NH+](C4CC4)CCO3)C2)cc1 ZINC000364393357 153226272 /nfs/dbraw/zinc/22/62/72/153226272.db2.gz ZKAUMBYQAJMQHX-ICSRJNTNSA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[NH+]2CC[C@H](NC[C@H]3C[N@@H+](C4CC4)CCO3)C2)cc1 ZINC000364393357 153226275 /nfs/dbraw/zinc/22/62/75/153226275.db2.gz ZKAUMBYQAJMQHX-ICSRJNTNSA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[NH+]2CC[C@H](NC[C@H]3C[N@H+](C4CC4)CCO3)C2)cc1 ZINC000364393357 153226280 /nfs/dbraw/zinc/22/62/80/153226280.db2.gz ZKAUMBYQAJMQHX-ICSRJNTNSA-N 2 2 329.488 1.756 20 0 EDADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCn4ncc(C(N)=O)c4C3)c[nH+]c12 ZINC000364668479 153298379 /nfs/dbraw/zinc/29/83/79/153298379.db2.gz ANZVSEFETGDLGC-CYBMUJFWSA-N 2 2 338.415 1.290 20 0 EDADLP COCc1ccsc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364995645 153393249 /nfs/dbraw/zinc/39/32/49/153393249.db2.gz OZCYJDAOGZTOOH-AWEZNQCLSA-N 2 2 337.489 1.793 20 0 EDADLP COCc1ccsc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364995645 153393250 /nfs/dbraw/zinc/39/32/50/153393250.db2.gz OZCYJDAOGZTOOH-AWEZNQCLSA-N 2 2 337.489 1.793 20 0 EDADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]CC(C)(C)C)CC3)CC1 ZINC000370230394 155390514 /nfs/dbraw/zinc/39/05/14/155390514.db2.gz LAVCLXIVEGBHRG-OAHLLOKOSA-N 2 2 347.507 1.469 20 0 EDADLP COC(=O)c1oc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000367117813 154014412 /nfs/dbraw/zinc/01/44/12/154014412.db2.gz UDLIREXJZBPDMG-INIZCTEOSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1oc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000367117813 154014414 /nfs/dbraw/zinc/01/44/14/154014414.db2.gz UDLIREXJZBPDMG-INIZCTEOSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1oc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000367117813 154014418 /nfs/dbraw/zinc/01/44/18/154014418.db2.gz UDLIREXJZBPDMG-INIZCTEOSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1oc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000367117813 154014419 /nfs/dbraw/zinc/01/44/19/154014419.db2.gz UDLIREXJZBPDMG-INIZCTEOSA-N 2 2 349.475 1.975 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367273129 154061400 /nfs/dbraw/zinc/06/14/00/154061400.db2.gz AJQUMYRFCXONIR-FUHWJXTLSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367273129 154061402 /nfs/dbraw/zinc/06/14/02/154061402.db2.gz AJQUMYRFCXONIR-FUHWJXTLSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367273129 154061404 /nfs/dbraw/zinc/06/14/04/154061404.db2.gz AJQUMYRFCXONIR-FUHWJXTLSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367273129 154061406 /nfs/dbraw/zinc/06/14/06/154061406.db2.gz AJQUMYRFCXONIR-FUHWJXTLSA-N 3 2 334.508 1.099 20 0 EDADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000367274560 154062738 /nfs/dbraw/zinc/06/27/38/154062738.db2.gz NGZBPBKMJRJDNK-CABCVRRESA-N 2 2 329.510 1.217 20 0 EDADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000367274560 154062740 /nfs/dbraw/zinc/06/27/40/154062740.db2.gz NGZBPBKMJRJDNK-CABCVRRESA-N 2 2 329.510 1.217 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)nc4sc(C)nn34)C2)CC1 ZINC000367422802 154115749 /nfs/dbraw/zinc/11/57/49/154115749.db2.gz NKULZWLPLVOOPF-HNNXBMFYSA-N 2 2 348.520 1.619 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)nc4sc(C)nn34)C2)CC1 ZINC000367422802 154115751 /nfs/dbraw/zinc/11/57/51/154115751.db2.gz NKULZWLPLVOOPF-HNNXBMFYSA-N 2 2 348.520 1.619 20 0 EDADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000367537593 154166056 /nfs/dbraw/zinc/16/60/56/154166056.db2.gz HCDVHFBYWGEHDQ-HQSKLWIPSA-N 2 2 337.508 1.865 20 0 EDADLP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000367537593 154166057 /nfs/dbraw/zinc/16/60/57/154166057.db2.gz HCDVHFBYWGEHDQ-HQSKLWIPSA-N 2 2 337.508 1.865 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1occ2c1CCOC2 ZINC000367586947 154188055 /nfs/dbraw/zinc/18/80/55/154188055.db2.gz QPLKPYXQZWXNPU-UHFFFAOYSA-N 2 2 335.448 1.450 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1occ2c1CCOC2 ZINC000367586947 154188061 /nfs/dbraw/zinc/18/80/61/154188061.db2.gz QPLKPYXQZWXNPU-UHFFFAOYSA-N 2 2 335.448 1.450 20 0 EDADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCc3[nH]ncc32)c1 ZINC000367618844 154200105 /nfs/dbraw/zinc/20/01/05/154200105.db2.gz OJOCBGBTUWSJNE-KRWDZBQOSA-N 2 2 341.459 1.868 20 0 EDADLP COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000367733925 154249318 /nfs/dbraw/zinc/24/93/18/154249318.db2.gz LAHGISWWVYABFM-ZDUSSCGKSA-N 2 2 333.436 1.152 20 0 EDADLP COC(=O)c1cc(C)nc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000367733925 154249323 /nfs/dbraw/zinc/24/93/23/154249323.db2.gz LAHGISWWVYABFM-ZDUSSCGKSA-N 2 2 333.436 1.152 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)CCO1 ZINC000367911686 154322229 /nfs/dbraw/zinc/32/22/29/154322229.db2.gz POUCMDOWBUAKEP-TZMCWYRMSA-N 2 2 340.386 1.111 20 0 EDADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)CCO1 ZINC000367911686 154322232 /nfs/dbraw/zinc/32/22/32/154322232.db2.gz POUCMDOWBUAKEP-TZMCWYRMSA-N 2 2 340.386 1.111 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)cn2)CC1 ZINC000367965723 154346108 /nfs/dbraw/zinc/34/61/08/154346108.db2.gz NMJXXGCSEPQKDW-IAGOWNOFSA-N 2 2 345.491 1.618 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC(C)(C)[C@H]3[C@H]3CCCO3)cn2)CC1 ZINC000367965723 154346112 /nfs/dbraw/zinc/34/61/12/154346112.db2.gz NMJXXGCSEPQKDW-IAGOWNOFSA-N 2 2 345.491 1.618 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](CC(N)=O)C3)c2cc1C ZINC000367993515 154358659 /nfs/dbraw/zinc/35/86/59/154358659.db2.gz LZAQOCHSFAUWRW-HUUCEWRRSA-N 2 2 330.432 1.211 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](CC(N)=O)C3)c2cc1C ZINC000367993515 154358662 /nfs/dbraw/zinc/35/86/62/154358662.db2.gz LZAQOCHSFAUWRW-HUUCEWRRSA-N 2 2 330.432 1.211 20 0 EDADLP O=C1NC[C@@H]2C[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)CC[C@H]12 ZINC000368066059 154393317 /nfs/dbraw/zinc/39/33/17/154393317.db2.gz WBUJDWWPDQHCSC-QRVBRYPASA-N 2 2 343.471 1.345 20 0 EDADLP O=C1NC[C@@H]2C[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC[C@H]12 ZINC000368066059 154393322 /nfs/dbraw/zinc/39/33/22/154393322.db2.gz WBUJDWWPDQHCSC-QRVBRYPASA-N 2 2 343.471 1.345 20 0 EDADLP O=C1NC[C@@H]2C[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC[C@H]12 ZINC000368066059 154393325 /nfs/dbraw/zinc/39/33/25/154393325.db2.gz WBUJDWWPDQHCSC-QRVBRYPASA-N 2 2 343.471 1.345 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000368880721 154767664 /nfs/dbraw/zinc/76/76/64/154767664.db2.gz ATOHWJMDIGGDLP-UHFFFAOYSA-N 2 2 342.447 1.893 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369421117 155025771 /nfs/dbraw/zinc/02/57/71/155025771.db2.gz NUYRFQDZMASMNN-ZBFHGGJFSA-N 2 2 325.416 1.966 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369421117 155025775 /nfs/dbraw/zinc/02/57/75/155025775.db2.gz NUYRFQDZMASMNN-ZBFHGGJFSA-N 2 2 325.416 1.966 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCN(C)c3ccccc3)CC2)C1 ZINC000371911214 156162859 /nfs/dbraw/zinc/16/28/59/156162859.db2.gz KYKCEBURTSMQBK-HXUWFJFHSA-N 2 2 346.519 1.461 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCN(C)c3ccccc3)CC2)C1 ZINC000371911214 156162863 /nfs/dbraw/zinc/16/28/63/156162863.db2.gz KYKCEBURTSMQBK-HXUWFJFHSA-N 2 2 346.519 1.461 20 0 EDADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000372047829 156223091 /nfs/dbraw/zinc/22/30/91/156223091.db2.gz UTSNAQNVTNOCFH-ICSRJNTNSA-N 2 2 329.488 1.978 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000374459841 157298015 /nfs/dbraw/zinc/29/80/15/157298015.db2.gz APVVSRRKFDGBSZ-INIZCTEOSA-N 2 2 348.495 1.455 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000374459841 157298019 /nfs/dbraw/zinc/29/80/19/157298019.db2.gz APVVSRRKFDGBSZ-INIZCTEOSA-N 2 2 348.495 1.455 20 0 EDADLP O=C1[C@@H]([NH2+][C@@H]2CCc3ccccc32)CCCN1CC[NH+]1CCOCC1 ZINC000374743400 157384154 /nfs/dbraw/zinc/38/41/54/157384154.db2.gz MZJBMTUSIMXOKV-MOPGFXCFSA-N 2 2 343.471 1.587 20 0 EDADLP CSC1(C[NH+]2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)CCC1 ZINC000378140077 158089683 /nfs/dbraw/zinc/08/96/83/158089683.db2.gz YHMVZXPRGKLTEP-AWEZNQCLSA-N 2 2 332.535 1.513 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000378288037 158130109 /nfs/dbraw/zinc/13/01/09/158130109.db2.gz LXCCGWLLQMDGLJ-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000378288037 158130111 /nfs/dbraw/zinc/13/01/11/158130111.db2.gz LXCCGWLLQMDGLJ-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000378288037 158130114 /nfs/dbraw/zinc/13/01/14/158130114.db2.gz LXCCGWLLQMDGLJ-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000378288037 158130116 /nfs/dbraw/zinc/13/01/16/158130116.db2.gz LXCCGWLLQMDGLJ-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000378405937 158164621 /nfs/dbraw/zinc/16/46/21/158164621.db2.gz SWUAPTGCENXKNO-JLSDUUJJSA-N 2 2 328.460 1.645 20 0 EDADLP CC(C)Cn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000378617495 158220608 /nfs/dbraw/zinc/22/06/08/158220608.db2.gz RMVUTHIUQOUOTI-GOSISDBHSA-N 2 2 347.507 1.780 20 0 EDADLP CC(C)Cn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000378617495 158220611 /nfs/dbraw/zinc/22/06/11/158220611.db2.gz RMVUTHIUQOUOTI-GOSISDBHSA-N 2 2 347.507 1.780 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H](C)O ZINC000352204012 162049361 /nfs/dbraw/zinc/04/93/61/162049361.db2.gz WECYNBYXIIZIBO-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H](C)O ZINC000352204012 162049365 /nfs/dbraw/zinc/04/93/65/162049365.db2.gz WECYNBYXIIZIBO-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+](CCc1ccccn1)Cc1cccnc1)C1CC1 ZINC000352348796 162132856 /nfs/dbraw/zinc/13/28/56/162132856.db2.gz FJCHINZCEVBCOK-FQEVSTJZSA-N 2 2 340.471 1.976 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+](CCc1ccccn1)Cc1cccnc1)C1CC1 ZINC000352348796 162132858 /nfs/dbraw/zinc/13/28/58/162132858.db2.gz FJCHINZCEVBCOK-FQEVSTJZSA-N 2 2 340.471 1.976 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](CCc1ccccn1)Cc1cccnc1)C1CC1 ZINC000352348796 162132862 /nfs/dbraw/zinc/13/28/62/162132862.db2.gz FJCHINZCEVBCOK-FQEVSTJZSA-N 2 2 340.471 1.976 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](CCc1ccccn1)Cc1cccnc1)C1CC1 ZINC000352348796 162132868 /nfs/dbraw/zinc/13/28/68/162132868.db2.gz FJCHINZCEVBCOK-FQEVSTJZSA-N 2 2 340.471 1.976 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000352520096 162226926 /nfs/dbraw/zinc/22/69/26/162226926.db2.gz VDBVMPSKKXQVFC-MPGHIAIKSA-N 2 2 348.466 1.371 20 0 EDADLP O=C1[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1cccc(Cl)c1 ZINC000352527000 162232450 /nfs/dbraw/zinc/23/24/50/162232450.db2.gz VBNWWHGUKRKFAG-DLBZAZTESA-N 2 2 348.878 1.425 20 0 EDADLP COc1cccc(OC)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364229565 162321986 /nfs/dbraw/zinc/32/19/86/162321986.db2.gz HOYNFEVLVOFOBE-AWEZNQCLSA-N 2 2 347.459 1.602 20 0 EDADLP COc1cccc(OC)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364229565 162321989 /nfs/dbraw/zinc/32/19/89/162321989.db2.gz HOYNFEVLVOFOBE-AWEZNQCLSA-N 2 2 347.459 1.602 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366558627 162394638 /nfs/dbraw/zinc/39/46/38/162394638.db2.gz WJZOTEGLBOLVLX-QGZVFWFLSA-N 2 2 340.512 1.613 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366558627 162394641 /nfs/dbraw/zinc/39/46/41/162394641.db2.gz WJZOTEGLBOLVLX-QGZVFWFLSA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000249375275 287188028 /nfs/dbraw/zinc/18/80/28/287188028.db2.gz YHBVKZJGOINUPN-NXHRZFHOSA-N 2 2 333.476 1.905 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000249375275 287188031 /nfs/dbraw/zinc/18/80/31/287188031.db2.gz YHBVKZJGOINUPN-NXHRZFHOSA-N 2 2 333.476 1.905 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065442103 287240390 /nfs/dbraw/zinc/24/03/90/287240390.db2.gz JEXLZFJOZGFYQF-UHFFFAOYSA-N 2 2 338.496 1.226 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353537172 287318040 /nfs/dbraw/zinc/31/80/40/287318040.db2.gz WOJBMAQUPFPDIX-IRXDYDNUSA-N 3 2 336.524 1.441 20 0 EDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000365301786 287344311 /nfs/dbraw/zinc/34/43/11/287344311.db2.gz YOHKFNMGLJLLFQ-CQSZACIVSA-N 2 2 333.480 1.998 20 0 EDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000365301786 287344312 /nfs/dbraw/zinc/34/43/12/287344312.db2.gz YOHKFNMGLJLLFQ-CQSZACIVSA-N 2 2 333.480 1.998 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158535812 225036910 /nfs/dbraw/zinc/03/69/10/225036910.db2.gz MAZVVJHLGWCTOI-HKUYNNGSSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158535812 225036912 /nfs/dbraw/zinc/03/69/12/225036912.db2.gz MAZVVJHLGWCTOI-HKUYNNGSSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158535812 225036916 /nfs/dbraw/zinc/03/69/16/225036916.db2.gz MAZVVJHLGWCTOI-HKUYNNGSSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158535812 225036919 /nfs/dbraw/zinc/03/69/19/225036919.db2.gz MAZVVJHLGWCTOI-HKUYNNGSSA-N 2 2 345.487 1.865 20 0 EDADLP C[NH2+]CCNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000418338661 304482963 /nfs/dbraw/zinc/48/29/63/304482963.db2.gz ZEZOSKYWARUKEN-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP O=C1CCCN1CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162927054 225892593 /nfs/dbraw/zinc/89/25/93/225892593.db2.gz LTLJARMXBORMST-UHFFFAOYSA-N 2 2 337.387 1.635 20 0 EDADLP COc1ccc([C@H](NC(=O)C[C@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000163990008 226035316 /nfs/dbraw/zinc/03/53/16/226035316.db2.gz GLFLCGBJXBTIBM-PBHICJAKSA-N 2 2 328.416 1.776 20 0 EDADLP COc1ccc([C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000163989781 226036332 /nfs/dbraw/zinc/03/63/32/226036332.db2.gz GLFLCGBJXBTIBM-WMLDXEAASA-N 2 2 328.416 1.776 20 0 EDADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000167966974 226204498 /nfs/dbraw/zinc/20/44/98/226204498.db2.gz IJIXPZXKVSFJGS-LJQANCHMSA-N 2 2 339.439 1.637 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(F)nc3)CC2)CC1 ZINC000122230427 222041188 /nfs/dbraw/zinc/04/11/88/222041188.db2.gz HMUQBDQJYQKHCU-UHFFFAOYSA-N 2 2 335.427 1.901 20 0 EDADLP C[C@@H](CCO)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000649865592 452328058 /nfs/dbraw/zinc/32/80/58/452328058.db2.gz ZWTSXLQEWOQSJM-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP C[C@@H](CCO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000649865592 452328067 /nfs/dbraw/zinc/32/80/67/452328067.db2.gz ZWTSXLQEWOQSJM-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000171691478 227222238 /nfs/dbraw/zinc/22/22/38/227222238.db2.gz GONTXWKGKBZXTL-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000171691478 227222241 /nfs/dbraw/zinc/22/22/41/227222241.db2.gz GONTXWKGKBZXTL-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC(C)(C)[NH+]2CCOCC2)[nH+]c1 ZINC000193110591 272988361 /nfs/dbraw/zinc/98/83/61/272988361.db2.gz JOWSNLGKXWQZST-UHFFFAOYSA-N 2 2 349.479 1.602 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275209489 268299596 /nfs/dbraw/zinc/29/95/96/268299596.db2.gz ARQKVDARGFMOLJ-ZDUSSCGKSA-N 2 2 333.436 1.163 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275209489 268299601 /nfs/dbraw/zinc/29/96/01/268299601.db2.gz ARQKVDARGFMOLJ-ZDUSSCGKSA-N 2 2 333.436 1.163 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000275456022 268344982 /nfs/dbraw/zinc/34/49/82/268344982.db2.gz CZYWFCOTAOQVKZ-IAGOWNOFSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000275456022 268344983 /nfs/dbraw/zinc/34/49/83/268344983.db2.gz CZYWFCOTAOQVKZ-IAGOWNOFSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000275456022 268344984 /nfs/dbraw/zinc/34/49/84/268344984.db2.gz CZYWFCOTAOQVKZ-IAGOWNOFSA-N 2 2 347.503 1.811 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000276376172 268419413 /nfs/dbraw/zinc/41/94/13/268419413.db2.gz SVNVTYODSYOBHJ-HNNXBMFYSA-N 2 2 349.479 1.652 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]cn1 ZINC000273151784 273029990 /nfs/dbraw/zinc/02/99/90/273029990.db2.gz HYLSZSOFXDBXDG-HNNXBMFYSA-N 2 2 342.447 1.935 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc[nH+]1 ZINC000273151784 273029991 /nfs/dbraw/zinc/02/99/91/273029991.db2.gz HYLSZSOFXDBXDG-HNNXBMFYSA-N 2 2 342.447 1.935 20 0 EDADLP Cc1cc(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)no1 ZINC000173959308 272934943 /nfs/dbraw/zinc/93/49/43/272934943.db2.gz KHHLNPAIINZXHK-UHFFFAOYSA-N 2 2 336.436 1.498 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000277506705 273202104 /nfs/dbraw/zinc/20/21/04/273202104.db2.gz RNVBCDUYTJXJHQ-OAHLLOKOSA-N 2 2 342.447 1.914 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000277506705 273202105 /nfs/dbraw/zinc/20/21/05/273202105.db2.gz RNVBCDUYTJXJHQ-OAHLLOKOSA-N 2 2 342.447 1.914 20 0 EDADLP COCC[N@@H+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1C ZINC000277598061 273209702 /nfs/dbraw/zinc/20/97/02/273209702.db2.gz VAUNAJBLARGNMA-CQSZACIVSA-N 2 2 337.493 1.187 20 0 EDADLP COCC[N@H+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1C ZINC000277598061 273209703 /nfs/dbraw/zinc/20/97/03/273209703.db2.gz VAUNAJBLARGNMA-CQSZACIVSA-N 2 2 337.493 1.187 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000182415504 287651629 /nfs/dbraw/zinc/65/16/29/287651629.db2.gz NIADDXWRGTZDHE-DUVNUKRYSA-N 2 2 339.505 1.919 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000284561625 274245163 /nfs/dbraw/zinc/24/51/63/274245163.db2.gz OHRUJFJBLJDCMO-CZUORRHYSA-N 2 2 330.436 1.481 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000284678988 274291173 /nfs/dbraw/zinc/29/11/73/274291173.db2.gz GEAZRNIEEZRCSD-SJORKVTESA-N 2 2 332.448 1.685 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000284678988 274291174 /nfs/dbraw/zinc/29/11/74/274291174.db2.gz GEAZRNIEEZRCSD-SJORKVTESA-N 2 2 332.448 1.685 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2COC[C@H]2n2ccnn2)CC[N@@H+]1Cc1ccccc1 ZINC000284765947 274323557 /nfs/dbraw/zinc/32/35/57/274323557.db2.gz JHZRXLFDIRZDNC-XGXHKWSGSA-N 2 2 341.459 1.861 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2COC[C@H]2n2ccnn2)CC[N@H+]1Cc1ccccc1 ZINC000284765947 274323558 /nfs/dbraw/zinc/32/35/58/274323558.db2.gz JHZRXLFDIRZDNC-XGXHKWSGSA-N 2 2 341.459 1.861 20 0 EDADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284932405 274392224 /nfs/dbraw/zinc/39/22/24/274392224.db2.gz WHHGEHWBRVWCTI-NXHRZFHOSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284932405 274392226 /nfs/dbraw/zinc/39/22/26/274392226.db2.gz WHHGEHWBRVWCTI-NXHRZFHOSA-N 2 2 331.460 1.392 20 0 EDADLP CC[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000246950281 287754576 /nfs/dbraw/zinc/75/45/76/287754576.db2.gz IAJGNOWWUAIAEC-OFQRWUPVSA-N 2 2 334.464 1.652 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cn1 ZINC000372417724 276083666 /nfs/dbraw/zinc/08/36/66/276083666.db2.gz XJCKXTBSLSYJAY-FUHWJXTLSA-N 2 2 335.496 1.301 20 0 EDADLP CC(C)n1cc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cn1 ZINC000372417724 276083669 /nfs/dbraw/zinc/08/36/69/276083669.db2.gz XJCKXTBSLSYJAY-FUHWJXTLSA-N 2 2 335.496 1.301 20 0 EDADLP CC(C)n1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)cn1 ZINC000372417724 276083670 /nfs/dbraw/zinc/08/36/70/276083670.db2.gz XJCKXTBSLSYJAY-FUHWJXTLSA-N 2 2 335.496 1.301 20 0 EDADLP CC(C)n1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cn1 ZINC000372417724 276083671 /nfs/dbraw/zinc/08/36/71/276083671.db2.gz XJCKXTBSLSYJAY-FUHWJXTLSA-N 2 2 335.496 1.301 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc[nH+]cc2C)CC1=O ZINC000107359800 276184603 /nfs/dbraw/zinc/18/46/03/276184603.db2.gz CVQKZJJGTUUQCW-CABCVRRESA-N 2 2 330.432 1.661 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc[nH+]cc2C)CC1=O ZINC000107359800 276184605 /nfs/dbraw/zinc/18/46/05/276184605.db2.gz CVQKZJJGTUUQCW-CABCVRRESA-N 2 2 330.432 1.661 20 0 EDADLP C[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)C[NH+]1CCOCC1 ZINC000286007974 287913632 /nfs/dbraw/zinc/91/36/32/287913632.db2.gz JBTDVYNHIRGYBX-CVEARBPZSA-N 2 2 329.448 1.886 20 0 EDADLP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000338569689 277047855 /nfs/dbraw/zinc/04/78/55/277047855.db2.gz LIOCZGYFGOGPJM-JKSUJKDBSA-N 2 2 325.497 1.534 20 0 EDADLP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000338569689 277047857 /nfs/dbraw/zinc/04/78/57/277047857.db2.gz LIOCZGYFGOGPJM-JKSUJKDBSA-N 2 2 325.497 1.534 20 0 EDADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C[NH2+]1 ZINC000365802772 277138997 /nfs/dbraw/zinc/13/89/97/277138997.db2.gz YOJHEJXDVACFDG-GVDBMIGSSA-N 2 2 345.443 1.061 20 0 EDADLP COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C[NH2+]1 ZINC000365802772 277138998 /nfs/dbraw/zinc/13/89/98/277138998.db2.gz YOJHEJXDVACFDG-GVDBMIGSSA-N 2 2 345.443 1.061 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000377414995 277289111 /nfs/dbraw/zinc/28/91/11/277289111.db2.gz WRCKZIZGEJCWQV-IRXDYDNUSA-N 2 2 337.489 1.178 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000377414995 277289112 /nfs/dbraw/zinc/28/91/12/277289112.db2.gz WRCKZIZGEJCWQV-IRXDYDNUSA-N 2 2 337.489 1.178 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000369032010 278082120 /nfs/dbraw/zinc/08/21/20/278082120.db2.gz CWAJRVPMHXIANK-DLBZAZTESA-N 2 2 336.480 1.337 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)CN2CCOCC2)C1 ZINC000369032010 278082123 /nfs/dbraw/zinc/08/21/23/278082123.db2.gz CWAJRVPMHXIANK-DLBZAZTESA-N 2 2 336.480 1.337 20 0 EDADLP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351487926 278181056 /nfs/dbraw/zinc/18/10/56/278181056.db2.gz DLDCETOPXIQSNI-MELADBBJSA-N 2 2 342.443 1.419 20 0 EDADLP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351487926 278181058 /nfs/dbraw/zinc/18/10/58/278181058.db2.gz DLDCETOPXIQSNI-MELADBBJSA-N 2 2 342.443 1.419 20 0 EDADLP CC1(C)CCC[N@H+](CCNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000357364459 278215229 /nfs/dbraw/zinc/21/52/29/278215229.db2.gz MUCGTSQYLDGEID-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)CCC[N@@H+](CCNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000357364459 278215233 /nfs/dbraw/zinc/21/52/33/278215233.db2.gz MUCGTSQYLDGEID-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)CCC[NH+](CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000357364459 278215234 /nfs/dbraw/zinc/21/52/34/278215234.db2.gz MUCGTSQYLDGEID-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)CCC[NH+](CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000357364459 278215237 /nfs/dbraw/zinc/21/52/37/278215237.db2.gz MUCGTSQYLDGEID-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000267188218 278262190 /nfs/dbraw/zinc/26/21/90/278262190.db2.gz CWBVZIKSMBAIIL-DFQSSKMNSA-N 2 2 346.519 1.284 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000267188218 278262191 /nfs/dbraw/zinc/26/21/91/278262191.db2.gz CWBVZIKSMBAIIL-DFQSSKMNSA-N 2 2 346.519 1.284 20 0 EDADLP Cc1cn2nc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)sc2n1 ZINC000354744140 279006335 /nfs/dbraw/zinc/00/63/35/279006335.db2.gz HNNVXVNUIMIRRS-ZDUSSCGKSA-N 2 2 334.493 1.704 20 0 EDADLP Cc1cn2nc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)sc2n1 ZINC000354744140 279006338 /nfs/dbraw/zinc/00/63/38/279006338.db2.gz HNNVXVNUIMIRRS-ZDUSSCGKSA-N 2 2 334.493 1.704 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000415295932 279091826 /nfs/dbraw/zinc/09/18/26/279091826.db2.gz BPZHIASIKROLHC-UHFFFAOYSA-N 2 2 333.436 1.490 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000286875942 288110028 /nfs/dbraw/zinc/11/00/28/288110028.db2.gz CKNOIUWRZMOGCY-INIZCTEOSA-N 2 2 338.427 1.060 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CCCO1 ZINC000331921147 288164123 /nfs/dbraw/zinc/16/41/23/288164123.db2.gz CFMUQQTYZIJEDJ-PMPSAXMXSA-N 2 2 332.510 1.433 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CCCO1 ZINC000331921147 288164124 /nfs/dbraw/zinc/16/41/24/288164124.db2.gz CFMUQQTYZIJEDJ-PMPSAXMXSA-N 2 2 332.510 1.433 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000287257446 288193349 /nfs/dbraw/zinc/19/33/49/288193349.db2.gz UCKFERZUWMIPKB-MRXNPFEDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H](CNc1nc(NC[C@H](C)[NH+](C)C)[nH+]c2c1SCC2)[NH+](C)C ZINC000288294889 288452014 /nfs/dbraw/zinc/45/20/14/288452014.db2.gz GXLGOJZIGRFIMR-NEPJUHHUSA-N 3 2 338.525 1.849 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417657771 288688227 /nfs/dbraw/zinc/68/82/27/288688227.db2.gz IHZCZDFIIXGQAC-JMSVASOKSA-N 2 2 340.418 1.946 20 0 EDADLP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290026480 288824168 /nfs/dbraw/zinc/82/41/68/288824168.db2.gz ARKNAPUGXDDLNF-AWEZNQCLSA-N 2 2 345.447 1.891 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185469385 289617355 /nfs/dbraw/zinc/61/73/55/289617355.db2.gz DVBNDABJHIZMSY-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCOCC1 ZINC000422769428 289694478 /nfs/dbraw/zinc/69/44/78/289694478.db2.gz SWUYTXBZUFBPJO-YVWKXTFCSA-N 3 2 345.487 1.800 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H](C)O1 ZINC000131527198 297016561 /nfs/dbraw/zinc/01/65/61/297016561.db2.gz ZXMPGXSARVWOIB-VQHPVUNQSA-N 2 2 346.475 1.546 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NC2CCCCCC2)CCO1 ZINC000662316660 453032119 /nfs/dbraw/zinc/03/21/19/453032119.db2.gz LNBFHRNVSWXQRE-KRWDZBQOSA-N 2 2 325.497 1.868 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NC2CCCCCC2)CCO1 ZINC000662316660 453032129 /nfs/dbraw/zinc/03/21/29/453032129.db2.gz LNBFHRNVSWXQRE-KRWDZBQOSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000418516459 304507138 /nfs/dbraw/zinc/50/71/38/304507138.db2.gz SBFZCKGICBLOPA-CVEARBPZSA-N 2 2 334.464 1.266 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000351808575 298269114 /nfs/dbraw/zinc/26/91/14/298269114.db2.gz GVMVFHUAGOCMMY-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000351808575 298269117 /nfs/dbraw/zinc/26/91/17/298269117.db2.gz GVMVFHUAGOCMMY-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420045261 304732851 /nfs/dbraw/zinc/73/28/51/304732851.db2.gz SXETYKRYRCSLGB-UHFFFAOYSA-N 2 2 349.479 1.160 20 0 EDADLP C[C@@H]1C[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000430952269 305070454 /nfs/dbraw/zinc/07/04/54/305070454.db2.gz YLAXTDNRVKVUTE-CZUORRHYSA-N 2 2 326.462 1.528 20 0 EDADLP C[C@@H]1C[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000430952269 305070455 /nfs/dbraw/zinc/07/04/55/305070455.db2.gz YLAXTDNRVKVUTE-CZUORRHYSA-N 2 2 326.462 1.528 20 0 EDADLP O=C(NCCc1[nH]cc[nH+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662530793 453252888 /nfs/dbraw/zinc/25/28/88/453252888.db2.gz RAAXQXOLUAGBCN-UHFFFAOYSA-N 2 2 341.234 1.809 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000377724836 447318833 /nfs/dbraw/zinc/31/88/33/447318833.db2.gz USMATKFNYDBKKQ-MRXNPFEDSA-N 2 2 334.464 1.720 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000377724836 447318839 /nfs/dbraw/zinc/31/88/39/447318839.db2.gz USMATKFNYDBKKQ-MRXNPFEDSA-N 2 2 334.464 1.720 20 0 EDADLP C[N@@H+]1CCN(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1(C)C ZINC000294459097 303110468 /nfs/dbraw/zinc/11/04/68/303110468.db2.gz WBTCEGRJGBIJIV-AWEZNQCLSA-N 2 2 334.493 1.571 20 0 EDADLP C[N@H+]1CCN(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1(C)C ZINC000294459097 303110470 /nfs/dbraw/zinc/11/04/70/303110470.db2.gz WBTCEGRJGBIJIV-AWEZNQCLSA-N 2 2 334.493 1.571 20 0 EDADLP COC(=O)CC1(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)CC1 ZINC000295693537 303253537 /nfs/dbraw/zinc/25/35/37/303253537.db2.gz DNXXBDVSZXNDNH-CQSZACIVSA-N 2 2 333.432 1.944 20 0 EDADLP COC(=O)CC1(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)CC1 ZINC000295693537 303253539 /nfs/dbraw/zinc/25/35/39/303253539.db2.gz DNXXBDVSZXNDNH-CQSZACIVSA-N 2 2 333.432 1.944 20 0 EDADLP Cc1ccc2[nH+]ccc(N3CC[NH+]([C@@H]4CCS(=O)(=O)C4)CC3)c2c1 ZINC000302139744 303714549 /nfs/dbraw/zinc/71/45/49/303714549.db2.gz DGFSDSGMSNNJGK-OAHLLOKOSA-N 2 2 345.468 1.852 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000332987571 303795484 /nfs/dbraw/zinc/79/54/84/303795484.db2.gz APTIPFBPDCYRJK-HOTGVXAUSA-N 2 2 331.464 1.858 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C[NH+]1CCCC1 ZINC000333010211 303797073 /nfs/dbraw/zinc/79/70/73/303797073.db2.gz QZKAMCPQXOEDBL-HLLBOEOZSA-N 2 2 349.479 1.671 20 0 EDADLP c1ccc([C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)N2CCOCC2)cc1 ZINC000422803484 304856096 /nfs/dbraw/zinc/85/60/96/304856096.db2.gz IXPSNTURJAXJTN-SLFFLAALSA-N 2 2 345.487 1.417 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@H]([NH3+])c2cscn2)[NH+](C)C)c1 ZINC000423303316 304891861 /nfs/dbraw/zinc/89/18/61/304891861.db2.gz IZICMRWAMQPTQL-LSDHHAIUSA-N 2 2 334.445 1.571 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1I ZINC000423532196 304897976 /nfs/dbraw/zinc/89/79/76/304897976.db2.gz ZBPZCWGJRQEJES-GHMZBOCLSA-N 2 2 346.212 1.930 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423925494 304917676 /nfs/dbraw/zinc/91/76/76/304917676.db2.gz FRESULBZFQIAPZ-KKUMJFAQSA-N 2 2 332.448 1.645 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428032040 305004537 /nfs/dbraw/zinc/00/45/37/305004537.db2.gz MPHIMTXUQLJXMQ-VNQPRFMTSA-N 2 2 330.432 1.085 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428032040 305004538 /nfs/dbraw/zinc/00/45/38/305004538.db2.gz MPHIMTXUQLJXMQ-VNQPRFMTSA-N 2 2 330.432 1.085 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000428037164 305004899 /nfs/dbraw/zinc/00/48/99/305004899.db2.gz JDTHTSFFAIOEBA-CABCVRRESA-N 2 2 333.432 1.004 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000428037164 305004900 /nfs/dbraw/zinc/00/49/00/305004900.db2.gz JDTHTSFFAIOEBA-CABCVRRESA-N 2 2 333.432 1.004 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428048228 305005569 /nfs/dbraw/zinc/00/55/69/305005569.db2.gz HUMAGTUSWGCVAB-MOPGFXCFSA-N 2 2 345.487 1.912 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428048228 305005570 /nfs/dbraw/zinc/00/55/70/305005570.db2.gz HUMAGTUSWGCVAB-MOPGFXCFSA-N 2 2 345.487 1.912 20 0 EDADLP COc1ccccc1-n1nccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000430006065 305042781 /nfs/dbraw/zinc/04/27/81/305042781.db2.gz NIBJRESCJJAJTD-UHFFFAOYSA-N 2 2 330.432 1.693 20 0 EDADLP CCc1nc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)sc1C ZINC000430603350 305058097 /nfs/dbraw/zinc/05/80/97/305058097.db2.gz YHZMJRBROOGKRK-UHFFFAOYSA-N 2 2 340.493 1.782 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@H](C[NH3+])C3)C2=O)c1 ZINC000430608754 305058553 /nfs/dbraw/zinc/05/85/53/305058553.db2.gz GAFVQQKDGVEOJC-DYVFJYSZSA-N 2 2 333.432 1.480 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCC[C@H](C[NH3+])C3)C2=O)c1 ZINC000430608754 305058554 /nfs/dbraw/zinc/05/85/54/305058554.db2.gz GAFVQQKDGVEOJC-DYVFJYSZSA-N 2 2 333.432 1.480 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430618406 305059410 /nfs/dbraw/zinc/05/94/10/305059410.db2.gz UBAGCWGQZBHUSJ-QZTJIDSGSA-N 2 2 344.503 1.561 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430618406 305059411 /nfs/dbraw/zinc/05/94/11/305059411.db2.gz UBAGCWGQZBHUSJ-QZTJIDSGSA-N 2 2 344.503 1.561 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCc2cc(Cl)ccc2OC)C1 ZINC000430618705 305059424 /nfs/dbraw/zinc/05/94/24/305059424.db2.gz WKJNCBRBBIFHHJ-ZDUSSCGKSA-N 2 2 339.867 1.896 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2cc(Cl)ccc2OC)C1 ZINC000430618705 305059425 /nfs/dbraw/zinc/05/94/25/305059425.db2.gz WKJNCBRBBIFHHJ-ZDUSSCGKSA-N 2 2 339.867 1.896 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430629698 305060277 /nfs/dbraw/zinc/06/02/77/305060277.db2.gz QPTYUYVCABOFFM-GXTWGEPZSA-N 2 2 348.447 1.651 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430629698 305060278 /nfs/dbraw/zinc/06/02/78/305060278.db2.gz QPTYUYVCABOFFM-GXTWGEPZSA-N 2 2 348.447 1.651 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000430640811 305060724 /nfs/dbraw/zinc/06/07/24/305060724.db2.gz HZHYTXAZZBUXCM-INIZCTEOSA-N 2 2 333.476 1.954 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1ccccc1 ZINC000430640811 305060725 /nfs/dbraw/zinc/06/07/25/305060725.db2.gz HZHYTXAZZBUXCM-INIZCTEOSA-N 2 2 333.476 1.954 20 0 EDADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000430645101 305060919 /nfs/dbraw/zinc/06/09/19/305060919.db2.gz NRQHHICLZMBLMR-MRXNPFEDSA-N 2 2 346.475 1.302 20 0 EDADLP Cc1cc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000430645101 305060920 /nfs/dbraw/zinc/06/09/20/305060920.db2.gz NRQHHICLZMBLMR-MRXNPFEDSA-N 2 2 346.475 1.302 20 0 EDADLP [NH3+]C[C@H]1CCCCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000430652881 305061503 /nfs/dbraw/zinc/06/15/03/305061503.db2.gz XWYDZFQSKOQBME-MRXNPFEDSA-N 2 2 336.505 1.206 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)CCCOc2ccccc2)C1 ZINC000430672378 305062127 /nfs/dbraw/zinc/06/21/27/305062127.db2.gz ZISSLCWPRBUACR-KRWDZBQOSA-N 2 2 333.476 1.845 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)CCCOc2ccccc2)C1 ZINC000430672378 305062128 /nfs/dbraw/zinc/06/21/28/305062128.db2.gz ZISSLCWPRBUACR-KRWDZBQOSA-N 2 2 333.476 1.845 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430815208 305065264 /nfs/dbraw/zinc/06/52/64/305065264.db2.gz LYYGUIGVIXCKIH-UHFFFAOYSA-N 3 2 338.375 1.036 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000430849511 305066086 /nfs/dbraw/zinc/06/60/86/305066086.db2.gz GUVDSNSUMYFHBE-RHSMWYFYSA-N 2 2 335.448 1.168 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000430849511 305066087 /nfs/dbraw/zinc/06/60/87/305066087.db2.gz GUVDSNSUMYFHBE-RHSMWYFYSA-N 2 2 335.448 1.168 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430918001 305067910 /nfs/dbraw/zinc/06/79/10/305067910.db2.gz GCPISIOYMRMEFV-CRAIPNDOSA-N 2 2 333.476 1.802 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430918001 305067911 /nfs/dbraw/zinc/06/79/11/305067911.db2.gz GCPISIOYMRMEFV-CRAIPNDOSA-N 2 2 333.476 1.802 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000430918369 305068035 /nfs/dbraw/zinc/06/80/35/305068035.db2.gz HIBCRIQXTASWGO-QWHCGFSZSA-N 2 2 325.403 1.553 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000430918369 305068036 /nfs/dbraw/zinc/06/80/36/305068036.db2.gz HIBCRIQXTASWGO-QWHCGFSZSA-N 2 2 325.403 1.553 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000430936581 305069197 /nfs/dbraw/zinc/06/91/97/305069197.db2.gz UZIYDSOOHSAJEE-SNVBAGLBSA-N 2 2 333.329 1.741 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000430936581 305069198 /nfs/dbraw/zinc/06/91/98/305069198.db2.gz UZIYDSOOHSAJEE-SNVBAGLBSA-N 2 2 333.329 1.741 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430960830 305071095 /nfs/dbraw/zinc/07/10/95/305071095.db2.gz ACUOZRRCDQEFDI-PBHICJAKSA-N 2 2 327.432 1.158 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000430960830 305071096 /nfs/dbraw/zinc/07/10/96/305071096.db2.gz ACUOZRRCDQEFDI-PBHICJAKSA-N 2 2 327.432 1.158 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2cc(C)cc(C)c2)C1 ZINC000430962308 305071241 /nfs/dbraw/zinc/07/12/41/305071241.db2.gz CCTJHJGFPKCXCJ-KRWDZBQOSA-N 2 2 333.476 1.682 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)CCOc2cc(C)cc(C)c2)C1 ZINC000430962308 305071242 /nfs/dbraw/zinc/07/12/42/305071242.db2.gz CCTJHJGFPKCXCJ-KRWDZBQOSA-N 2 2 333.476 1.682 20 0 EDADLP C[C@@H]([NH3+])CCC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000434670419 305126876 /nfs/dbraw/zinc/12/68/76/305126876.db2.gz BZXIDGHXIYHIDI-CYBMUJFWSA-N 2 2 337.468 1.924 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000435378037 305139304 /nfs/dbraw/zinc/13/93/04/305139304.db2.gz GRFSPYVKFYCESR-INIZCTEOSA-N 2 2 347.459 1.620 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000435378037 305139305 /nfs/dbraw/zinc/13/93/05/305139305.db2.gz GRFSPYVKFYCESR-INIZCTEOSA-N 2 2 347.459 1.620 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000435390278 305139653 /nfs/dbraw/zinc/13/96/53/305139653.db2.gz ATOQVAZSQUVDTC-GDBMZVCRSA-N 2 2 349.475 1.912 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000435390278 305139654 /nfs/dbraw/zinc/13/96/54/305139654.db2.gz ATOQVAZSQUVDTC-GDBMZVCRSA-N 2 2 349.475 1.912 20 0 EDADLP Cn1ccnc1CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435557878 305142287 /nfs/dbraw/zinc/14/22/87/305142287.db2.gz KJHGSZNLOOVBHX-HNNXBMFYSA-N 2 2 342.447 1.178 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435557878 305142288 /nfs/dbraw/zinc/14/22/88/305142288.db2.gz KJHGSZNLOOVBHX-HNNXBMFYSA-N 3 2 342.447 1.178 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)Cc1ccon1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435565276 305142598 /nfs/dbraw/zinc/14/25/98/305142598.db2.gz FYGUWQCYFRLWAC-OAHLLOKOSA-N 2 2 343.431 1.604 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)NC(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000435690291 305145393 /nfs/dbraw/zinc/14/53/93/305145393.db2.gz AGNWAYUQFGIGFO-HNNXBMFYSA-N 2 2 347.507 1.762 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000436058887 305151571 /nfs/dbraw/zinc/15/15/71/305151571.db2.gz JHDNRTCNWHLKNA-LBPRGKRZSA-N 2 2 349.460 1.618 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000436058887 305151572 /nfs/dbraw/zinc/15/15/72/305151572.db2.gz JHDNRTCNWHLKNA-LBPRGKRZSA-N 2 2 349.460 1.618 20 0 EDADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436066669 305151991 /nfs/dbraw/zinc/15/19/91/305151991.db2.gz ZYERXEAPBAPPHD-MRXNPFEDSA-N 2 2 346.475 1.561 20 0 EDADLP Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436066669 305151992 /nfs/dbraw/zinc/15/19/92/305151992.db2.gz ZYERXEAPBAPPHD-MRXNPFEDSA-N 2 2 346.475 1.561 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)ccc2[nH+]1 ZINC000439583979 305200296 /nfs/dbraw/zinc/20/02/96/305200296.db2.gz AIPWLXZQOCHTKC-HNNXBMFYSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)ccc2[nH+]1 ZINC000439583979 305200297 /nfs/dbraw/zinc/20/02/97/305200297.db2.gz AIPWLXZQOCHTKC-HNNXBMFYSA-N 2 2 341.415 1.276 20 0 EDADLP COC(=O)CC1(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000440536299 305209633 /nfs/dbraw/zinc/20/96/33/305209633.db2.gz OAYLJUFCCFZKFB-HXUWFJFHSA-N 2 2 346.471 1.899 20 0 EDADLP COC(=O)CC1(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000440536299 305209634 /nfs/dbraw/zinc/20/96/34/305209634.db2.gz OAYLJUFCCFZKFB-HXUWFJFHSA-N 2 2 346.471 1.899 20 0 EDADLP COC(=O)CC1(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000440536299 305209635 /nfs/dbraw/zinc/20/96/35/305209635.db2.gz OAYLJUFCCFZKFB-HXUWFJFHSA-N 2 2 346.471 1.899 20 0 EDADLP COC(=O)CC1(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440536299 305209636 /nfs/dbraw/zinc/20/96/36/305209636.db2.gz OAYLJUFCCFZKFB-HXUWFJFHSA-N 2 2 346.471 1.899 20 0 EDADLP C[C@@H](C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444030424 305242968 /nfs/dbraw/zinc/24/29/68/305242968.db2.gz KZKHYQFLSPBPBG-BBWFWOEESA-N 3 2 338.540 1.732 20 0 EDADLP C[C@@H](C(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444030424 305242969 /nfs/dbraw/zinc/24/29/69/305242969.db2.gz KZKHYQFLSPBPBG-BBWFWOEESA-N 3 2 338.540 1.732 20 0 EDADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444030424 305242970 /nfs/dbraw/zinc/24/29/70/305242970.db2.gz KZKHYQFLSPBPBG-BBWFWOEESA-N 3 2 338.540 1.732 20 0 EDADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444030424 305242971 /nfs/dbraw/zinc/24/29/71/305242971.db2.gz KZKHYQFLSPBPBG-BBWFWOEESA-N 3 2 338.540 1.732 20 0 EDADLP CCC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000444767853 305252385 /nfs/dbraw/zinc/25/23/85/305252385.db2.gz ANHISSSMDBAXGU-LJQANCHMSA-N 2 2 349.475 1.551 20 0 EDADLP CCC[C@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000444767853 305252386 /nfs/dbraw/zinc/25/23/86/305252386.db2.gz ANHISSSMDBAXGU-LJQANCHMSA-N 2 2 349.475 1.551 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447085728 305273813 /nfs/dbraw/zinc/27/38/13/305273813.db2.gz JSYVGTMHOYVZRY-HNNXBMFYSA-N 2 2 339.505 1.896 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447085728 305273814 /nfs/dbraw/zinc/27/38/14/305273814.db2.gz JSYVGTMHOYVZRY-HNNXBMFYSA-N 2 2 339.505 1.896 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000449173263 305308644 /nfs/dbraw/zinc/30/86/44/305308644.db2.gz WYYUWQFADFHNHT-ROUUACIJSA-N 2 2 343.475 1.579 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000449173263 305308645 /nfs/dbraw/zinc/30/86/45/305308645.db2.gz WYYUWQFADFHNHT-ROUUACIJSA-N 2 2 343.475 1.579 20 0 EDADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C ZINC000451558317 305353589 /nfs/dbraw/zinc/35/35/89/305353589.db2.gz FZGAMLUYAFBAAI-RDJZCZTQSA-N 2 2 335.448 1.281 20 0 EDADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C ZINC000451558317 305353590 /nfs/dbraw/zinc/35/35/90/305353590.db2.gz FZGAMLUYAFBAAI-RDJZCZTQSA-N 2 2 335.448 1.281 20 0 EDADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1(C)C ZINC000451573485 305354587 /nfs/dbraw/zinc/35/45/87/305354587.db2.gz YDVMRTARLBUJSP-QGZVFWFLSA-N 2 2 349.475 1.671 20 0 EDADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1(C)C ZINC000451573485 305354588 /nfs/dbraw/zinc/35/45/88/305354588.db2.gz YDVMRTARLBUJSP-QGZVFWFLSA-N 2 2 349.475 1.671 20 0 EDADLP Cc1cc(N2CCC(NC(=O)C=Cc3c[nH]c[nH+]3)CC2)nc(C)[nH+]1 ZINC000493617394 447355096 /nfs/dbraw/zinc/35/50/96/447355096.db2.gz OSMHMTZTQCSOQG-ARJAWSKDSA-N 2 2 326.404 1.615 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000520549656 305780332 /nfs/dbraw/zinc/78/03/32/305780332.db2.gz XQHPNOKLCXDLPA-WKULXVSPSA-N 2 2 337.427 1.629 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529285682 305906843 /nfs/dbraw/zinc/90/68/43/305906843.db2.gz ITHHBGIOFSZVAJ-OAHLLOKOSA-N 2 2 345.447 1.002 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3CC[NH2+]C34CCC4)[nH+]c12 ZINC000529312313 305907736 /nfs/dbraw/zinc/90/77/36/305907736.db2.gz KGHGLFUKJAOTQI-OAHLLOKOSA-N 2 2 327.432 1.769 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000529371975 305910896 /nfs/dbraw/zinc/91/08/96/305910896.db2.gz IGEYXUNHTXQNCW-UKTKYZJWSA-N 2 2 344.459 1.015 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)NCCCCn2cc[nH+]c2)CCSC1 ZINC000530651988 305944754 /nfs/dbraw/zinc/94/47/54/305944754.db2.gz KEHCRRQWOROUKR-HNNXBMFYSA-N 2 2 325.482 1.400 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[NH+]1CCC1)c1ccc(F)cc1 ZINC000533566460 306001053 /nfs/dbraw/zinc/00/10/53/306001053.db2.gz LVRNCOYDGDRWEU-OAHLLOKOSA-N 2 2 331.395 1.654 20 0 EDADLP Cc1cccn2cc(CC(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)[nH+]c12 ZINC000534258480 306004751 /nfs/dbraw/zinc/00/47/51/306004751.db2.gz WSQNJZIXDHXXRS-QGZVFWFLSA-N 2 2 344.459 1.538 20 0 EDADLP Cc1cccn2cc(CC(=O)NCCCC[N@H+]3CCC[C@@H]3CO)[nH+]c12 ZINC000534258480 306004752 /nfs/dbraw/zinc/00/47/52/306004752.db2.gz WSQNJZIXDHXXRS-QGZVFWFLSA-N 2 2 344.459 1.538 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000534312743 306006058 /nfs/dbraw/zinc/00/60/58/306006058.db2.gz DHTYUAXPFAZROA-GOSISDBHSA-N 2 2 345.491 1.639 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000534312743 306006059 /nfs/dbraw/zinc/00/60/59/306006059.db2.gz DHTYUAXPFAZROA-GOSISDBHSA-N 2 2 345.491 1.639 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000534579258 306008184 /nfs/dbraw/zinc/00/81/84/306008184.db2.gz ISXDAMVLTVMIHM-AWEZNQCLSA-N 2 2 342.399 1.635 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000534579258 306008185 /nfs/dbraw/zinc/00/81/85/306008185.db2.gz ISXDAMVLTVMIHM-AWEZNQCLSA-N 2 2 342.399 1.635 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]3CC[N@H+](C)C[C@H]31)n2C ZINC000538712532 306033005 /nfs/dbraw/zinc/03/30/05/306033005.db2.gz SINCRXNTPVNMST-SWLSCSKDSA-N 2 2 342.447 1.201 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@H]31)n2C ZINC000538712532 306033006 /nfs/dbraw/zinc/03/30/06/306033006.db2.gz SINCRXNTPVNMST-SWLSCSKDSA-N 2 2 342.447 1.201 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000540802973 306040373 /nfs/dbraw/zinc/04/03/73/306040373.db2.gz FKTJORYIJPPVBO-IRXDYDNUSA-N 2 2 343.475 1.848 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000540802973 306040374 /nfs/dbraw/zinc/04/03/74/306040374.db2.gz FKTJORYIJPPVBO-IRXDYDNUSA-N 2 2 343.475 1.848 20 0 EDADLP COCc1noc([C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000543208881 306061584 /nfs/dbraw/zinc/06/15/84/306061584.db2.gz VYUUYLIUAVTIMK-HUUCEWRRSA-N 2 2 337.468 1.377 20 0 EDADLP COCc1noc([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1 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/nfs/dbraw/zinc/20/39/05/306203905.db2.gz UJJGYUIXZQNAEZ-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000555877091 306206524 /nfs/dbraw/zinc/20/65/24/306206524.db2.gz ASDCUZWDNNDYPC-RCCFBDPRSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000555877091 306206525 /nfs/dbraw/zinc/20/65/25/306206525.db2.gz ASDCUZWDNNDYPC-RCCFBDPRSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000555877091 306206526 /nfs/dbraw/zinc/20/65/26/306206526.db2.gz ASDCUZWDNNDYPC-RCCFBDPRSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000555877091 306206527 /nfs/dbraw/zinc/20/65/27/306206527.db2.gz ASDCUZWDNNDYPC-RCCFBDPRSA-N 2 2 334.460 1.741 20 0 EDADLP Brc1ccc2ncc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)n2c1 ZINC000556952175 306221820 /nfs/dbraw/zinc/22/18/20/306221820.db2.gz GWTGFUWCPKSFMR-ZDUSSCGKSA-N 2 2 339.237 1.565 20 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ZINC000422186275 447393930 /nfs/dbraw/zinc/39/39/30/447393930.db2.gz AMYNDPOQMFSCKT-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)ccc2[nH+]1 ZINC000415424112 447423814 /nfs/dbraw/zinc/42/38/14/447423814.db2.gz HWPNJQAISSAXHZ-HNNXBMFYSA-N 2 2 343.431 1.605 20 0 EDADLP CC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000070943081 441128141 /nfs/dbraw/zinc/12/81/41/441128141.db2.gz UJNOVEWUZOHUNB-UHFFFAOYSA-N 2 2 347.503 1.768 20 0 EDADLP CC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000070943081 441128144 /nfs/dbraw/zinc/12/81/44/441128144.db2.gz UJNOVEWUZOHUNB-UHFFFAOYSA-N 2 2 347.503 1.768 20 0 EDADLP CCSc1nnc([C@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000072205687 441206442 /nfs/dbraw/zinc/20/64/42/441206442.db2.gz CJRPTASLLOHWPC-ZDUSSCGKSA-N 2 2 327.498 1.735 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2cccc(O)c2)C1 ZINC000080917990 441207653 /nfs/dbraw/zinc/20/76/53/441207653.db2.gz JSPPIXVFGVQUML-GOSISDBHSA-N 2 2 349.475 1.297 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2cccc(O)c2)C1 ZINC000080917990 441207656 /nfs/dbraw/zinc/20/76/56/441207656.db2.gz JSPPIXVFGVQUML-GOSISDBHSA-N 2 2 349.475 1.297 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)Cc2cccc(O)c2)C1 ZINC000080917990 441207659 /nfs/dbraw/zinc/20/76/59/441207659.db2.gz JSPPIXVFGVQUML-GOSISDBHSA-N 2 2 349.475 1.297 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)Cc2cccc(O)c2)C1 ZINC000080917990 441207662 /nfs/dbraw/zinc/20/76/62/441207662.db2.gz JSPPIXVFGVQUML-GOSISDBHSA-N 2 2 349.475 1.297 20 0 EDADLP CCOC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000060483987 441246678 /nfs/dbraw/zinc/24/66/78/441246678.db2.gz NVIDVSKCXNVTNG-UHFFFAOYSA-N 2 2 335.448 1.425 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000072968492 441280745 /nfs/dbraw/zinc/28/07/45/441280745.db2.gz RDLSJLYGXZZZKI-MRXNPFEDSA-N 2 2 332.448 1.409 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000072968492 441280750 /nfs/dbraw/zinc/28/07/50/441280750.db2.gz RDLSJLYGXZZZKI-MRXNPFEDSA-N 2 2 332.448 1.409 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000081572328 441290423 /nfs/dbraw/zinc/29/04/23/441290423.db2.gz SWXKVIPZKFIOGB-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000081572328 441290427 /nfs/dbraw/zinc/29/04/27/441290427.db2.gz SWXKVIPZKFIOGB-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000081572328 441290432 /nfs/dbraw/zinc/29/04/32/441290432.db2.gz SWXKVIPZKFIOGB-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000081572328 441290442 /nfs/dbraw/zinc/29/04/42/441290442.db2.gz SWXKVIPZKFIOGB-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP C[C@@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1)c1ccccc1 ZINC000073669235 441341070 /nfs/dbraw/zinc/34/10/70/441341070.db2.gz YNPPPUAEUGXLDW-MRXNPFEDSA-N 2 2 342.443 1.899 20 0 EDADLP 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/nfs/dbraw/zinc/29/83/81/441298381.db2.gz MQNUFQCWDYHDQR-GOSISDBHSA-N 2 2 345.487 1.975 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081634847 441298383 /nfs/dbraw/zinc/29/83/83/441298383.db2.gz MQNUFQCWDYHDQR-GOSISDBHSA-N 2 2 345.487 1.975 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081634847 441298387 /nfs/dbraw/zinc/29/83/87/441298387.db2.gz MQNUFQCWDYHDQR-GOSISDBHSA-N 2 2 345.487 1.975 20 0 EDADLP CN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000073988370 441377582 /nfs/dbraw/zinc/37/75/82/441377582.db2.gz GYVJMCJVJSPPML-IBGZPJMESA-N 2 2 344.503 1.600 20 0 EDADLP CN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000073988370 441377586 /nfs/dbraw/zinc/37/75/86/441377586.db2.gz GYVJMCJVJSPPML-IBGZPJMESA-N 2 2 344.503 1.600 20 0 EDADLP COC(=O)N1CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051451700 441411132 /nfs/dbraw/zinc/41/11/32/441411132.db2.gz GRIKQGWQZDLADP-OAHLLOKOSA-N 2 2 346.431 1.398 20 0 EDADLP Cc1nccc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000051275932 441405609 /nfs/dbraw/zinc/40/56/09/441405609.db2.gz YQUWKSHDGIMCCF-UHFFFAOYSA-N 2 2 346.479 1.143 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@H]2CCC[N@@H+]2C)c2[nH+]ccn2C)cc1 ZINC000110046085 441513416 /nfs/dbraw/zinc/51/34/16/441513416.db2.gz DLGOMJJFTZNZMQ-CVEARBPZSA-N 2 2 328.416 1.729 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@H]2CCC[N@H+]2C)c2[nH+]ccn2C)cc1 ZINC000110046085 441513419 /nfs/dbraw/zinc/51/34/19/441513419.db2.gz DLGOMJJFTZNZMQ-CVEARBPZSA-N 2 2 328.416 1.729 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000109753696 441504147 /nfs/dbraw/zinc/50/41/47/441504147.db2.gz HKFXVIABVLIUDY-GOSISDBHSA-N 2 2 330.476 1.387 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000109753696 441504152 /nfs/dbraw/zinc/50/41/52/441504152.db2.gz HKFXVIABVLIUDY-GOSISDBHSA-N 2 2 330.476 1.387 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc2c(c1)OCO2 ZINC000109794144 441508087 /nfs/dbraw/zinc/50/80/87/441508087.db2.gz RIZNRYNATUHSOP-UHFFFAOYSA-N 2 2 328.372 1.887 20 0 EDADLP CC(C)(CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[NH+]1CCOCC1 ZINC000076051019 441586489 /nfs/dbraw/zinc/58/64/89/441586489.db2.gz CTEBQPJGLIMPLO-AWEZNQCLSA-N 2 2 335.452 1.410 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076300113 441625788 /nfs/dbraw/zinc/62/57/88/441625788.db2.gz RVXZDPUGCIOPRK-UHFFFAOYSA-N 2 2 345.447 1.668 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076300113 441625791 /nfs/dbraw/zinc/62/57/91/441625791.db2.gz RVXZDPUGCIOPRK-UHFFFAOYSA-N 2 2 345.447 1.668 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480233 441663107 /nfs/dbraw/zinc/66/31/07/441663107.db2.gz XAPLIHPYUNQSQK-QGZVFWFLSA-N 2 2 333.476 1.682 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114480233 441663109 /nfs/dbraw/zinc/66/31/09/441663109.db2.gz XAPLIHPYUNQSQK-QGZVFWFLSA-N 2 2 333.476 1.682 20 0 EDADLP CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000114819695 441685930 /nfs/dbraw/zinc/68/59/30/441685930.db2.gz OCYSPFIDCSBDMT-MRXNPFEDSA-N 2 2 345.491 1.954 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000067685410 441667244 /nfs/dbraw/zinc/66/72/44/441667244.db2.gz GFLARZAQARSVSD-HNNXBMFYSA-N 2 2 329.448 1.906 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000067685410 441667247 /nfs/dbraw/zinc/66/72/47/441667247.db2.gz GFLARZAQARSVSD-HNNXBMFYSA-N 2 2 329.448 1.906 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000136958523 441735064 /nfs/dbraw/zinc/73/50/64/441735064.db2.gz NYJMNPXZSBELGV-CVEARBPZSA-N 2 2 345.491 1.869 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000136958523 441735069 /nfs/dbraw/zinc/73/50/69/441735069.db2.gz NYJMNPXZSBELGV-CVEARBPZSA-N 2 2 345.491 1.869 20 0 EDADLP CCc1nnc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)[nH]1 ZINC000158490580 441740814 /nfs/dbraw/zinc/74/08/14/441740814.db2.gz AELIETPURZYSEZ-UHFFFAOYSA-N 2 2 348.495 1.133 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173352242 441721050 /nfs/dbraw/zinc/72/10/50/441721050.db2.gz HTUDCXTYPXLOGO-ZFWWWQNUSA-N 2 2 325.478 1.682 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173352242 441721052 /nfs/dbraw/zinc/72/10/52/441721052.db2.gz HTUDCXTYPXLOGO-ZFWWWQNUSA-N 2 2 325.478 1.682 20 0 EDADLP C[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000137605041 441776007 /nfs/dbraw/zinc/77/60/07/441776007.db2.gz BETPYDLYEUAJJX-GUYCJALGSA-N 2 2 334.439 1.190 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173648032 441814156 /nfs/dbraw/zinc/81/41/56/441814156.db2.gz ICVBLOREWKMUON-INIZCTEOSA-N 2 2 325.416 1.533 20 0 EDADLP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)s1 ZINC000092748418 441825177 /nfs/dbraw/zinc/82/51/77/441825177.db2.gz FIPBHPHBHHUFJH-GXTWGEPZSA-N 2 2 326.510 1.537 20 0 EDADLP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000092748418 441825183 /nfs/dbraw/zinc/82/51/83/441825183.db2.gz FIPBHPHBHHUFJH-GXTWGEPZSA-N 2 2 326.510 1.537 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000043311024 441833613 /nfs/dbraw/zinc/83/36/13/441833613.db2.gz NXVXJSKONLLYDQ-UHFFFAOYSA-N 2 2 331.420 1.323 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173877592 441854183 /nfs/dbraw/zinc/85/41/83/441854183.db2.gz QLMYNEFNDJEKKR-KRWDZBQOSA-N 2 2 325.497 1.727 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173877592 441854192 /nfs/dbraw/zinc/85/41/92/441854192.db2.gz QLMYNEFNDJEKKR-KRWDZBQOSA-N 2 2 325.497 1.727 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](COC)C2)CC1 ZINC000093529200 441888051 /nfs/dbraw/zinc/88/80/51/441888051.db2.gz ZJCMCAWGCLQHJN-SFHVURJKSA-N 2 2 333.476 1.676 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](COC)C2)CC1 ZINC000093529200 441888053 /nfs/dbraw/zinc/88/80/53/441888053.db2.gz ZJCMCAWGCLQHJN-SFHVURJKSA-N 2 2 333.476 1.676 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cn1 ZINC000077985090 441891210 /nfs/dbraw/zinc/89/12/10/441891210.db2.gz OXAQFBMRDFWJRR-QGZVFWFLSA-N 2 2 342.447 1.443 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cn1 ZINC000077985090 441891214 /nfs/dbraw/zinc/89/12/14/441891214.db2.gz OXAQFBMRDFWJRR-QGZVFWFLSA-N 2 2 342.447 1.443 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174158380 441894879 /nfs/dbraw/zinc/89/48/79/441894879.db2.gz ZTYMQAWQJSKOEM-HNNXBMFYSA-N 2 2 331.464 1.775 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@H](C)[C@@H]2C)C1 ZINC000118414210 441895180 /nfs/dbraw/zinc/89/51/80/441895180.db2.gz GKUXXPFSJUZCFX-ARFHVFGLSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@H](C)[C@@H]2C)C1 ZINC000118414210 441895187 /nfs/dbraw/zinc/89/51/87/441895187.db2.gz GKUXXPFSJUZCFX-ARFHVFGLSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)C1 ZINC000118414210 441895192 /nfs/dbraw/zinc/89/51/92/441895192.db2.gz GKUXXPFSJUZCFX-ARFHVFGLSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)C1 ZINC000118414210 441895197 /nfs/dbraw/zinc/89/51/97/441895197.db2.gz GKUXXPFSJUZCFX-ARFHVFGLSA-N 2 2 343.537 1.285 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000119923257 441975737 /nfs/dbraw/zinc/97/57/37/441975737.db2.gz ZYOUEBUPUBCBCS-BRWVUGGUSA-N 2 2 347.463 1.310 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000119923257 441975738 /nfs/dbraw/zinc/97/57/38/441975738.db2.gz ZYOUEBUPUBCBCS-BRWVUGGUSA-N 2 2 347.463 1.310 20 0 EDADLP O[C@H](CN1CC[NH+](C/C=C/c2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000078434459 441930314 /nfs/dbraw/zinc/93/03/14/441930314.db2.gz RIKVGPHDNQZTAA-WWPOYFSUSA-N 2 2 345.487 1.011 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000078462983 441933020 /nfs/dbraw/zinc/93/30/20/441933020.db2.gz VVVKEPRWVCVWKY-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000174941239 441986658 /nfs/dbraw/zinc/98/66/58/441986658.db2.gz AUOJZWNSGUMSFK-KRWDZBQOSA-N 2 2 346.475 1.676 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000174941239 441986665 /nfs/dbraw/zinc/98/66/65/441986665.db2.gz AUOJZWNSGUMSFK-KRWDZBQOSA-N 2 2 346.475 1.676 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000174941239 441986667 /nfs/dbraw/zinc/98/66/67/441986667.db2.gz AUOJZWNSGUMSFK-KRWDZBQOSA-N 2 2 346.475 1.676 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000174941239 441986674 /nfs/dbraw/zinc/98/66/74/441986674.db2.gz AUOJZWNSGUMSFK-KRWDZBQOSA-N 2 2 346.475 1.676 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000174947556 441987650 /nfs/dbraw/zinc/98/76/50/441987650.db2.gz FSRKQAAGSJCOMI-LSDHHAIUSA-N 2 2 346.475 1.776 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000174947556 441987654 /nfs/dbraw/zinc/98/76/54/441987654.db2.gz FSRKQAAGSJCOMI-LSDHHAIUSA-N 2 2 346.475 1.776 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000174947556 441987656 /nfs/dbraw/zinc/98/76/56/441987656.db2.gz FSRKQAAGSJCOMI-LSDHHAIUSA-N 2 2 346.475 1.776 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000174947556 441987661 /nfs/dbraw/zinc/98/76/61/441987661.db2.gz FSRKQAAGSJCOMI-LSDHHAIUSA-N 2 2 346.475 1.776 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000079200937 442029613 /nfs/dbraw/zinc/02/96/13/442029613.db2.gz NTSHDFSDDBVUAR-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP C[N@H+](CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000120299078 442045459 /nfs/dbraw/zinc/04/54/59/442045459.db2.gz APMQJZXCUTUUQO-HNNXBMFYSA-N 2 2 331.464 1.834 20 0 EDADLP C[N@@H+](CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCCC1 ZINC000120299078 442045463 /nfs/dbraw/zinc/04/54/63/442045463.db2.gz APMQJZXCUTUUQO-HNNXBMFYSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000175420001 442060505 /nfs/dbraw/zinc/06/05/05/442060505.db2.gz PEJROBXQAXWAHE-OAHLLOKOSA-N 2 2 348.466 1.547 20 0 EDADLP C[N@H+](CC[C@@H]1CCOC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000120672550 442115034 /nfs/dbraw/zinc/11/50/34/442115034.db2.gz DDRMSGJRUSRFLE-MRXNPFEDSA-N 2 2 331.460 1.974 20 0 EDADLP C[N@@H+](CC[C@@H]1CCOC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000120672550 442115039 /nfs/dbraw/zinc/11/50/39/442115039.db2.gz DDRMSGJRUSRFLE-MRXNPFEDSA-N 2 2 331.460 1.974 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175841812 442132815 /nfs/dbraw/zinc/13/28/15/442132815.db2.gz IGRDEQVRZOLZDV-INIZCTEOSA-N 2 2 347.463 1.247 20 0 EDADLP CO[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000151895096 442136628 /nfs/dbraw/zinc/13/66/28/442136628.db2.gz CZGHMYZDRQVYNV-ROUUACIJSA-N 2 2 342.443 1.439 20 0 EDADLP COc1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1OC(C)C ZINC000162575799 442105589 /nfs/dbraw/zinc/10/55/89/442105589.db2.gz NAZUUUGCCVSKQO-BVBGJJFLSA-N 2 2 347.459 1.597 20 0 EDADLP COC(=O)[C@]1(NCc2[nH+]ccn2C)CCC[N@H+](Cc2ccccc2)C1 ZINC000121095724 442176673 /nfs/dbraw/zinc/17/66/73/442176673.db2.gz RZKXNHTXFCLIFN-IBGZPJMESA-N 2 2 342.443 1.718 20 0 EDADLP COC(=O)[C@]1(NCc2[nH+]ccn2C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000121095724 442176675 /nfs/dbraw/zinc/17/66/75/442176675.db2.gz RZKXNHTXFCLIFN-IBGZPJMESA-N 2 2 342.443 1.718 20 0 EDADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000164042581 442189263 /nfs/dbraw/zinc/18/92/63/442189263.db2.gz RFZJMCPCDZULAA-AWEZNQCLSA-N 2 2 325.840 1.600 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N(C)CC[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000176248339 442199841 /nfs/dbraw/zinc/19/98/41/442199841.db2.gz BDARMZGNFOPWGI-GOSISDBHSA-N 2 2 348.491 1.571 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncncc3Cl)CC2)CC1 ZINC000175959657 442154161 /nfs/dbraw/zinc/15/41/61/442154161.db2.gz KBBOFDXRJMWEOI-UHFFFAOYSA-N 2 2 337.855 1.418 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2ccncc2)C1 ZINC000127541655 442210521 /nfs/dbraw/zinc/21/05/21/442210521.db2.gz WWKNIRRBVKMHPR-FUHWJXTLSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2ccncc2)C1 ZINC000127541655 442210525 /nfs/dbraw/zinc/21/05/25/442210525.db2.gz WWKNIRRBVKMHPR-FUHWJXTLSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)C1 ZINC000127541655 442210527 /nfs/dbraw/zinc/21/05/27/442210527.db2.gz WWKNIRRBVKMHPR-FUHWJXTLSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)C1 ZINC000127541655 442210529 /nfs/dbraw/zinc/21/05/29/442210529.db2.gz WWKNIRRBVKMHPR-FUHWJXTLSA-N 2 2 348.491 1.547 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127568934 442212150 /nfs/dbraw/zinc/21/21/50/442212150.db2.gz RFZMJBWVGCEAMW-ROUUACIJSA-N 2 2 331.460 1.139 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127568934 442212152 /nfs/dbraw/zinc/21/21/52/442212152.db2.gz RFZMJBWVGCEAMW-ROUUACIJSA-N 2 2 331.460 1.139 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000127771061 442224659 /nfs/dbraw/zinc/22/46/59/442224659.db2.gz BDBFSPJBBURPPU-GGPKGHCWSA-N 3 2 345.535 1.518 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000127771061 442224663 /nfs/dbraw/zinc/22/46/63/442224663.db2.gz BDBFSPJBBURPPU-GGPKGHCWSA-N 3 2 345.535 1.518 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170628975 442238487 /nfs/dbraw/zinc/23/84/87/442238487.db2.gz UYICWENCZPBMSW-UHFFFAOYSA-N 2 2 330.432 1.572 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170628975 442238488 /nfs/dbraw/zinc/23/84/88/442238488.db2.gz UYICWENCZPBMSW-UHFFFAOYSA-N 2 2 330.432 1.572 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)NCC1CCCCC1 ZINC000129170887 442304799 /nfs/dbraw/zinc/30/47/99/442304799.db2.gz KRGAYCKNXQPECZ-GOSISDBHSA-N 2 2 337.508 1.727 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)NCC1CCCCC1 ZINC000129170887 442304804 /nfs/dbraw/zinc/30/48/04/442304804.db2.gz KRGAYCKNXQPECZ-GOSISDBHSA-N 2 2 337.508 1.727 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCC[C@H](C)C1 ZINC000171100287 442311493 /nfs/dbraw/zinc/31/14/93/442311493.db2.gz JJIFWTAPGJAFKA-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCC[C@H](C)C1 ZINC000171100287 442311497 /nfs/dbraw/zinc/31/14/97/442311497.db2.gz JJIFWTAPGJAFKA-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000171100287 442311498 /nfs/dbraw/zinc/31/14/98/442311498.db2.gz JJIFWTAPGJAFKA-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000171100287 442311501 /nfs/dbraw/zinc/31/15/01/442311501.db2.gz JJIFWTAPGJAFKA-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1cccc(N2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000131098881 442364517 /nfs/dbraw/zinc/36/45/17/442364517.db2.gz JKZXZCNGSQPNGE-UHFFFAOYSA-N 2 2 330.476 1.199 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000131366759 442370649 /nfs/dbraw/zinc/37/06/49/442370649.db2.gz UYOGZPXFLVIUOB-ZDUSSCGKSA-N 2 2 338.374 1.072 20 0 EDADLP COC[C@](C)(CCO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000132517994 442395328 /nfs/dbraw/zinc/39/53/28/442395328.db2.gz DDHPJTDIQWKXOW-QAPCUYQASA-N 2 2 335.448 1.391 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000178328797 442424750 /nfs/dbraw/zinc/42/47/50/442424750.db2.gz FYUZXWCVDUPSAW-HNNXBMFYSA-N 2 2 337.430 1.960 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000178328797 442424751 /nfs/dbraw/zinc/42/47/51/442424751.db2.gz FYUZXWCVDUPSAW-HNNXBMFYSA-N 2 2 337.430 1.960 20 0 EDADLP CC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000134552750 442494272 /nfs/dbraw/zinc/49/42/72/442494272.db2.gz CHJUEVCRWUKYJM-PKOBYXMFSA-N 2 2 331.460 1.536 20 0 EDADLP CC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000134552750 442494277 /nfs/dbraw/zinc/49/42/77/442494277.db2.gz CHJUEVCRWUKYJM-PKOBYXMFSA-N 2 2 331.460 1.536 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000178860874 442506379 /nfs/dbraw/zinc/50/63/79/442506379.db2.gz WJXMNDNDXUZJLD-ONIAQPFYSA-N 2 2 331.460 1.502 20 0 EDADLP CC(C)C1(C)CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000186191874 442481263 /nfs/dbraw/zinc/48/12/63/442481263.db2.gz AUKVPYWDPZHEOP-UHFFFAOYSA-N 2 2 339.524 1.972 20 0 EDADLP Cn1cc(C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)c(=O)n(C)c1=O ZINC000178775700 442481391 /nfs/dbraw/zinc/48/13/91/442481391.db2.gz HCFKCHICRYTFDE-UHFFFAOYSA-N 2 2 344.459 1.084 20 0 EDADLP Cn1cc(C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)c(=O)n(C)c1=O ZINC000178775700 442481395 /nfs/dbraw/zinc/48/13/95/442481395.db2.gz HCFKCHICRYTFDE-UHFFFAOYSA-N 2 2 344.459 1.084 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156452138 442482403 /nfs/dbraw/zinc/48/24/03/442482403.db2.gz OHAWRVKRSCQYJE-BBRMVZONSA-N 2 2 341.415 1.504 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156452138 442482410 /nfs/dbraw/zinc/48/24/10/442482410.db2.gz OHAWRVKRSCQYJE-BBRMVZONSA-N 2 2 341.415 1.504 20 0 EDADLP CC(C)n1nccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000157140054 442553748 /nfs/dbraw/zinc/55/37/48/442553748.db2.gz DPRLDZGAQWOIIZ-UHFFFAOYSA-N 2 2 333.480 1.752 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)s1 ZINC000178883104 442513416 /nfs/dbraw/zinc/51/34/16/442513416.db2.gz OYXLLFYDPBYSFY-QGZVFWFLSA-N 2 2 344.484 1.838 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CCNC(=O)C(C)C)c2cc1C ZINC000157499098 442588682 /nfs/dbraw/zinc/58/86/82/442588682.db2.gz DDGSWHOGMILUCG-INIZCTEOSA-N 2 2 346.475 1.718 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CCNC(=O)C(C)C)c2cc1C ZINC000157499098 442588687 /nfs/dbraw/zinc/58/86/87/442588687.db2.gz DDGSWHOGMILUCG-INIZCTEOSA-N 2 2 346.475 1.718 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000192091327 442589733 /nfs/dbraw/zinc/58/97/33/442589733.db2.gz WQQJRUIAKIRTFF-ZIAGYGMSSA-N 2 2 339.867 1.846 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1(C)C ZINC000186712369 442597721 /nfs/dbraw/zinc/59/77/21/442597721.db2.gz APWVDGHDFNKUJB-SUMWQHHRSA-N 2 2 329.404 1.738 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H](CO)c2ccccc2)CC1 ZINC000179316482 442619276 /nfs/dbraw/zinc/61/92/76/442619276.db2.gz OLWBIHGTVFPAMF-QGZVFWFLSA-N 2 2 348.491 1.088 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](O)[C@H](C)C3)CC2)c1 ZINC000186899501 442626910 /nfs/dbraw/zinc/62/69/10/442626910.db2.gz HSEMMSNHGJFCMI-MJGOQNOKSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](O)[C@H](C)C3)CC2)c1 ZINC000186899501 442626916 /nfs/dbraw/zinc/62/69/16/442626916.db2.gz HSEMMSNHGJFCMI-MJGOQNOKSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000181028698 442675619 /nfs/dbraw/zinc/67/56/19/442675619.db2.gz CZTNIGYGLXSVDV-HKUYNNGSSA-N 2 2 343.471 1.505 20 0 EDADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000181120090 442680916 /nfs/dbraw/zinc/68/09/16/442680916.db2.gz ISCBJAXUASEXAW-GDBMZVCRSA-N 2 2 343.537 1.651 20 0 EDADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000181120090 442680919 /nfs/dbraw/zinc/68/09/19/442680919.db2.gz ISCBJAXUASEXAW-GDBMZVCRSA-N 2 2 343.537 1.651 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000187720102 442688834 /nfs/dbraw/zinc/68/88/34/442688834.db2.gz GUPPBOLSUQAGMQ-GUYCJALGSA-N 2 2 328.416 1.774 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000187720102 442688837 /nfs/dbraw/zinc/68/88/37/442688837.db2.gz GUPPBOLSUQAGMQ-GUYCJALGSA-N 2 2 328.416 1.774 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000193006104 442704966 /nfs/dbraw/zinc/70/49/66/442704966.db2.gz OVOHODDFYQGFQW-UHFFFAOYSA-N 2 2 330.432 1.610 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000187341805 442671110 /nfs/dbraw/zinc/67/11/10/442671110.db2.gz AAMZQVPVDDJBBV-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953183 442671695 /nfs/dbraw/zinc/67/16/95/442671695.db2.gz ASKLCIFYTDUCCE-JKSUJKDBSA-N 2 2 326.529 1.638 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953183 442671696 /nfs/dbraw/zinc/67/16/96/442671696.db2.gz ASKLCIFYTDUCCE-JKSUJKDBSA-N 2 2 326.529 1.638 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180953183 442671697 /nfs/dbraw/zinc/67/16/97/442671697.db2.gz ASKLCIFYTDUCCE-JKSUJKDBSA-N 2 2 326.529 1.638 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180953183 442671698 /nfs/dbraw/zinc/67/16/98/442671698.db2.gz ASKLCIFYTDUCCE-JKSUJKDBSA-N 2 2 326.529 1.638 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000188080240 442708783 /nfs/dbraw/zinc/70/87/83/442708783.db2.gz ZORNUXAJAZUYKD-GRDNDAEWSA-N 2 2 333.432 1.223 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2cc(Cl)cs2)CN1CC[NH+]1CCOCC1 ZINC000193115536 442714891 /nfs/dbraw/zinc/71/48/91/442714891.db2.gz HINHQZZVDBJHQQ-ZDUSSCGKSA-N 2 2 343.880 1.424 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000188715104 442795597 /nfs/dbraw/zinc/79/55/97/442795597.db2.gz XZHWCPLUKDNBET-NZBPQXDJSA-N 2 2 336.411 1.011 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246610329 442797207 /nfs/dbraw/zinc/79/72/07/442797207.db2.gz LMSDDDPRFRDGAH-PKOBYXMFSA-N 2 2 345.487 1.860 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246610329 442797210 /nfs/dbraw/zinc/79/72/10/442797210.db2.gz LMSDDDPRFRDGAH-PKOBYXMFSA-N 2 2 345.487 1.860 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193618622 442759836 /nfs/dbraw/zinc/75/98/36/442759836.db2.gz JQEFIWDESRCCCG-CALCHBBNSA-N 2 2 330.476 1.123 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193618622 442759837 /nfs/dbraw/zinc/75/98/37/442759837.db2.gz JQEFIWDESRCCCG-CALCHBBNSA-N 2 2 330.476 1.123 20 0 EDADLP CN(CCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193618622 442759838 /nfs/dbraw/zinc/75/98/38/442759838.db2.gz JQEFIWDESRCCCG-CALCHBBNSA-N 2 2 330.476 1.123 20 0 EDADLP CN(CCCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193618622 442759840 /nfs/dbraw/zinc/75/98/40/442759840.db2.gz JQEFIWDESRCCCG-CALCHBBNSA-N 2 2 330.476 1.123 20 0 EDADLP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC000193646881 442763492 /nfs/dbraw/zinc/76/34/92/442763492.db2.gz FXEUYKCWVXMGQG-KURKYZTESA-N 2 2 342.487 1.123 20 0 EDADLP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC000193646881 442763495 /nfs/dbraw/zinc/76/34/95/442763495.db2.gz FXEUYKCWVXMGQG-KURKYZTESA-N 2 2 342.487 1.123 20 0 EDADLP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC000193646881 442763499 /nfs/dbraw/zinc/76/34/99/442763499.db2.gz FXEUYKCWVXMGQG-KURKYZTESA-N 2 2 342.487 1.123 20 0 EDADLP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC[C@H]3CCN(c4ccccc4)C3)C[C@@H]2C1 ZINC000193646881 442763502 /nfs/dbraw/zinc/76/35/02/442763502.db2.gz FXEUYKCWVXMGQG-KURKYZTESA-N 2 2 342.487 1.123 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246948837 442823262 /nfs/dbraw/zinc/82/32/62/442823262.db2.gz NQONTIZGXVVGSW-JMIFQINSSA-N 2 2 337.508 1.862 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246948837 442823264 /nfs/dbraw/zinc/82/32/64/442823264.db2.gz NQONTIZGXVVGSW-JMIFQINSSA-N 2 2 337.508 1.862 20 0 EDADLP CCOc1ccnc(N2CCC[N@H+](CCCn3cc[nH+]c3)CC2)n1 ZINC000182866549 442838809 /nfs/dbraw/zinc/83/88/09/442838809.db2.gz ZMNXOIMQBDWCKY-UHFFFAOYSA-N 2 2 330.436 1.674 20 0 EDADLP CCOc1ccnc(N2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)n1 ZINC000182866549 442838812 /nfs/dbraw/zinc/83/88/12/442838812.db2.gz ZMNXOIMQBDWCKY-UHFFFAOYSA-N 2 2 330.436 1.674 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247375109 442849926 /nfs/dbraw/zinc/84/99/26/442849926.db2.gz OEEXOMISAIHLHN-PMPSAXMXSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247375109 442849929 /nfs/dbraw/zinc/84/99/29/442849929.db2.gz OEEXOMISAIHLHN-PMPSAXMXSA-N 2 2 326.485 1.077 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc(CC)cc(=O)[nH]2)[C@H](C)C1 ZINC000249380686 442970023 /nfs/dbraw/zinc/97/00/23/442970023.db2.gz QIHTWRRYIDFCJQ-ZBFHGGJFSA-N 2 2 336.480 1.971 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc(CC)cc(=O)[nH]2)[C@H](C)C1 ZINC000249380686 442970026 /nfs/dbraw/zinc/97/00/26/442970026.db2.gz QIHTWRRYIDFCJQ-ZBFHGGJFSA-N 2 2 336.480 1.971 20 0 EDADLP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000184009279 442982761 /nfs/dbraw/zinc/98/27/61/442982761.db2.gz SAXAJLPSISCLIO-QGZVFWFLSA-N 2 2 330.476 1.361 20 0 EDADLP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000184009279 442982763 /nfs/dbraw/zinc/98/27/63/442982763.db2.gz SAXAJLPSISCLIO-QGZVFWFLSA-N 2 2 330.476 1.361 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000268424421 442984329 /nfs/dbraw/zinc/98/43/29/442984329.db2.gz XDTFOTZWUKLMFW-HIFRSBDPSA-N 2 2 328.420 1.359 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000189611563 442984716 /nfs/dbraw/zinc/98/47/16/442984716.db2.gz AUCNNQKZUUENEU-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000189697183 442995534 /nfs/dbraw/zinc/99/55/34/442995534.db2.gz HJDHXBIWCYEETG-WMZOPIPTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000189697183 442995538 /nfs/dbraw/zinc/99/55/38/442995538.db2.gz HJDHXBIWCYEETG-WMZOPIPTSA-N 2 2 331.460 1.176 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000268511666 443015749 /nfs/dbraw/zinc/01/57/49/443015749.db2.gz CKFHRUHQSSMFGE-INIZCTEOSA-N 2 2 331.464 1.177 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000268511666 443015751 /nfs/dbraw/zinc/01/57/51/443015751.db2.gz CKFHRUHQSSMFGE-INIZCTEOSA-N 2 2 331.464 1.177 20 0 EDADLP COC[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000251940182 443021277 /nfs/dbraw/zinc/02/12/77/443021277.db2.gz UPAINKDYQKESMD-RYQLBKOJSA-N 2 2 349.475 1.141 20 0 EDADLP COC[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000251940182 443021280 /nfs/dbraw/zinc/02/12/80/443021280.db2.gz UPAINKDYQKESMD-RYQLBKOJSA-N 2 2 349.475 1.141 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252231595 443022279 /nfs/dbraw/zinc/02/22/79/443022279.db2.gz ZXZINNIWRPSFML-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000252231595 443022281 /nfs/dbraw/zinc/02/22/81/443022281.db2.gz ZXZINNIWRPSFML-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1 ZINC000266128157 443026681 /nfs/dbraw/zinc/02/66/81/443026681.db2.gz QKCKLWNGOBTTNY-ZDUSSCGKSA-N 2 2 332.448 1.447 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3cnccn3)CC2)CC1 ZINC000184541723 443036181 /nfs/dbraw/zinc/03/61/81/443036181.db2.gz NTSQRBLQDIFLLS-INIZCTEOSA-N 2 2 345.491 1.804 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000190367322 443094304 /nfs/dbraw/zinc/09/43/04/443094304.db2.gz WIMPUIUDVOJETM-UHFFFAOYSA-N 2 2 334.420 1.362 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)cc[nH+]1 ZINC000184769410 443074355 /nfs/dbraw/zinc/07/43/55/443074355.db2.gz GHFFBBILCCSMOC-UHFFFAOYSA-N 2 2 335.415 1.892 20 0 EDADLP CC(C)(C[NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000236618299 443140653 /nfs/dbraw/zinc/14/06/53/443140653.db2.gz KIFZXBAJRZPFCK-UHFFFAOYSA-N 2 2 325.210 1.698 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)cc[nH+]1 ZINC000184932281 443101196 /nfs/dbraw/zinc/10/11/96/443101196.db2.gz RNLSZEHZTSDMSI-SFHVURJKSA-N 2 2 339.443 1.737 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+]2CCOCC2)cc1 ZINC000237777394 443182785 /nfs/dbraw/zinc/18/27/85/443182785.db2.gz WNHVPRSXWPJRSS-IAGOWNOFSA-N 2 2 333.476 1.858 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000299459318 318904825 /nfs/dbraw/zinc/90/48/25/318904825.db2.gz ZVUZSSHSIMOEEV-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000269168687 443220332 /nfs/dbraw/zinc/22/03/32/443220332.db2.gz SCTKTHOYYLSDJF-UHFFFAOYSA-N 2 2 342.399 1.821 20 0 EDADLP CO[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[C@@H]1C ZINC000190995031 443221299 /nfs/dbraw/zinc/22/12/99/443221299.db2.gz IVCSANLBYHNOFG-HOCLYGCPSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000245394855 443222849 /nfs/dbraw/zinc/22/28/49/443222849.db2.gz YOTKTFKMKCQHLF-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000245394855 443222853 /nfs/dbraw/zinc/22/28/53/443222853.db2.gz YOTKTFKMKCQHLF-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000245394855 443222856 /nfs/dbraw/zinc/22/28/56/443222856.db2.gz YOTKTFKMKCQHLF-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000245394855 443222859 /nfs/dbraw/zinc/22/28/59/443222859.db2.gz YOTKTFKMKCQHLF-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000397297544 319133989 /nfs/dbraw/zinc/13/39/89/319133989.db2.gz DZBNGFMRRYXGHH-GOEBONIOSA-N 2 2 333.432 1.364 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397306036 319134012 /nfs/dbraw/zinc/13/40/12/319134012.db2.gz GWWPJWFCQIKKLT-SRVKXCTJSA-N 2 2 339.461 1.778 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397306036 319134015 /nfs/dbraw/zinc/13/40/15/319134015.db2.gz GWWPJWFCQIKKLT-SRVKXCTJSA-N 2 2 339.461 1.778 20 0 EDADLP Cc1cc(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc1C[NH+](C)C ZINC000411142164 319168061 /nfs/dbraw/zinc/16/80/61/319168061.db2.gz KFZDYFVGLPAESN-AWEZNQCLSA-N 2 2 343.431 1.397 20 0 EDADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624593 319190137 /nfs/dbraw/zinc/19/01/37/319190137.db2.gz YISXSNQBGUAGKD-ROUUACIJSA-N 2 2 332.444 1.781 20 0 EDADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624593 319190138 /nfs/dbraw/zinc/19/01/38/319190138.db2.gz YISXSNQBGUAGKD-ROUUACIJSA-N 2 2 332.444 1.781 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413067201 319261639 /nfs/dbraw/zinc/26/16/39/319261639.db2.gz WKJLBXMCCOTDQY-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414126326 319318008 /nfs/dbraw/zinc/31/80/08/319318008.db2.gz OFNBJXBVMHCVOD-LJQANCHMSA-N 2 2 328.460 1.934 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCCc2ccc3c(c2)OCCO3)n1C ZINC000414377582 319325517 /nfs/dbraw/zinc/32/55/17/319325517.db2.gz JSMIBEZRVWQKAK-UHFFFAOYSA-N 2 2 330.432 1.980 20 0 EDADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000414672191 319339529 /nfs/dbraw/zinc/33/95/29/319339529.db2.gz AHRVOOVGZPWWFL-HNNXBMFYSA-N 2 2 339.505 1.803 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)CC1 ZINC000414693262 319343205 /nfs/dbraw/zinc/34/32/05/319343205.db2.gz LQAPPMNMQMORPI-GOSISDBHSA-N 3 2 338.540 1.626 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415087895 319346594 /nfs/dbraw/zinc/34/65/94/319346594.db2.gz LFBWXEUKBMFZGU-ZWKOTPCHSA-N 3 2 330.476 1.226 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415087895 319346596 /nfs/dbraw/zinc/34/65/96/319346596.db2.gz LFBWXEUKBMFZGU-ZWKOTPCHSA-N 3 2 330.476 1.226 20 0 EDADLP C[N@@H+]1CC[C@H](CNC(=O)c2c3ccccc3nc3c2C[NH+](C)CC3)C1 ZINC000416130844 319391724 /nfs/dbraw/zinc/39/17/24/319391724.db2.gz IWTIXEILCNCSGV-CQSZACIVSA-N 2 2 338.455 1.904 20 0 EDADLP C[N@H+]1CC[C@H](CNC(=O)c2c3ccccc3nc3c2C[NH+](C)CC3)C1 ZINC000416130844 319391726 /nfs/dbraw/zinc/39/17/26/319391726.db2.gz IWTIXEILCNCSGV-CQSZACIVSA-N 2 2 338.455 1.904 20 0 EDADLP C[NH+]1CC[C@H](CNC(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)C1 ZINC000416130844 319391729 /nfs/dbraw/zinc/39/17/29/319391729.db2.gz IWTIXEILCNCSGV-CQSZACIVSA-N 2 2 338.455 1.904 20 0 EDADLP C[NH+]1CC[C@H](CNC(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)C1 ZINC000416130844 319391731 /nfs/dbraw/zinc/39/17/31/319391731.db2.gz IWTIXEILCNCSGV-CQSZACIVSA-N 2 2 338.455 1.904 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000416168845 319396829 /nfs/dbraw/zinc/39/68/29/319396829.db2.gz ARGSXMDYHMKBDG-LJQANCHMSA-N 3 2 346.519 1.822 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000266887765 443280826 /nfs/dbraw/zinc/28/08/26/443280826.db2.gz VHDLZAISLOYTKE-SFHVURJKSA-N 2 2 343.471 1.829 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000266887765 443280827 /nfs/dbraw/zinc/28/08/27/443280827.db2.gz VHDLZAISLOYTKE-SFHVURJKSA-N 2 2 343.471 1.829 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)NCc2ccn3cc[nH+]c3c2)CC1(C)C ZINC000282367373 443318071 /nfs/dbraw/zinc/31/80/71/443318071.db2.gz VMQKNDTYNRQACB-UHFFFAOYSA-N 2 2 344.463 1.160 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)NCc2ccn3cc[nH+]c3c2)CC1(C)C ZINC000282367373 443318074 /nfs/dbraw/zinc/31/80/74/443318074.db2.gz VMQKNDTYNRQACB-UHFFFAOYSA-N 2 2 344.463 1.160 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000417277157 319490144 /nfs/dbraw/zinc/49/01/44/319490144.db2.gz XAXMUNXTOVVFGN-HOCLYGCPSA-N 2 2 344.525 1.011 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@]3([NH+](C)C)CCSC3)[nH+]c2c1 ZINC000267205631 443377774 /nfs/dbraw/zinc/37/77/74/443377774.db2.gz RICDKCUHOOOVQO-QGZVFWFLSA-N 2 2 347.488 1.879 20 0 EDADLP CCC(CC)(CCO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000282490255 443353879 /nfs/dbraw/zinc/35/38/79/443353879.db2.gz PSBCWCJAKXFMSQ-UHFFFAOYSA-N 2 2 348.491 1.651 20 0 EDADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)CC(C)(CO)CO ZINC000278580471 443367680 /nfs/dbraw/zinc/36/76/80/443367680.db2.gz KBIWJAGTUCHGKQ-SFHVURJKSA-N 2 2 336.476 1.200 20 0 EDADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)CC(C)(CO)CO ZINC000278580471 443367683 /nfs/dbraw/zinc/36/76/83/443367683.db2.gz KBIWJAGTUCHGKQ-SFHVURJKSA-N 2 2 336.476 1.200 20 0 EDADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)CC(C)(CO)CO ZINC000278580471 443367688 /nfs/dbraw/zinc/36/76/88/443367688.db2.gz KBIWJAGTUCHGKQ-SFHVURJKSA-N 2 2 336.476 1.200 20 0 EDADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)CC(C)(CO)CO ZINC000278580471 443367691 /nfs/dbraw/zinc/36/76/91/443367691.db2.gz KBIWJAGTUCHGKQ-SFHVURJKSA-N 2 2 336.476 1.200 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1[nH+]ccn1C ZINC000267274549 443401492 /nfs/dbraw/zinc/40/14/92/443401492.db2.gz FTOOLIAPEVHBCL-UHFFFAOYSA-N 2 2 329.404 1.045 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278714498 443410845 /nfs/dbraw/zinc/41/08/45/443410845.db2.gz UQRYFYQKCBYXKS-MSOLQXFVSA-N 2 2 331.460 1.488 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278714498 443410846 /nfs/dbraw/zinc/41/08/46/443410846.db2.gz UQRYFYQKCBYXKS-MSOLQXFVSA-N 2 2 331.460 1.488 20 0 EDADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278714498 443410848 /nfs/dbraw/zinc/41/08/48/443410848.db2.gz UQRYFYQKCBYXKS-MSOLQXFVSA-N 2 2 331.460 1.488 20 0 EDADLP CNC(=O)[C@@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278714498 443410849 /nfs/dbraw/zinc/41/08/49/443410849.db2.gz UQRYFYQKCBYXKS-MSOLQXFVSA-N 2 2 331.460 1.488 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1)[NH+]1CCOCC1 ZINC000264936985 443482863 /nfs/dbraw/zinc/48/28/63/443482863.db2.gz RSOHKXUZXKNBAN-INIZCTEOSA-N 2 2 334.464 1.379 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1)[NH+]1CCOCC1 ZINC000264936985 443482867 /nfs/dbraw/zinc/48/28/67/443482867.db2.gz RSOHKXUZXKNBAN-INIZCTEOSA-N 2 2 334.464 1.379 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000269794855 443444763 /nfs/dbraw/zinc/44/47/63/443444763.db2.gz HBBBNEFYOFVNLF-QGZVFWFLSA-N 2 2 332.404 1.208 20 0 EDADLP COC(=O)c1ccccc1OCC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000272798439 443449324 /nfs/dbraw/zinc/44/93/24/443449324.db2.gz KSDTWBZZUKKHLD-UHFFFAOYSA-N 2 2 336.432 1.241 20 0 EDADLP COC(=O)c1ccccc1OCC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000272798439 443449326 /nfs/dbraw/zinc/44/93/26/443449326.db2.gz KSDTWBZZUKKHLD-UHFFFAOYSA-N 2 2 336.432 1.241 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)CCCCCO)CC2)c1 ZINC000278850490 443461422 /nfs/dbraw/zinc/46/14/22/443461422.db2.gz KFXCIQSQFCSRGU-UHFFFAOYSA-N 2 2 347.503 1.734 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CCCCCO)CC2)c1 ZINC000278850490 443461428 /nfs/dbraw/zinc/46/14/28/443461428.db2.gz KFXCIQSQFCSRGU-UHFFFAOYSA-N 2 2 347.503 1.734 20 0 EDADLP C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000422731747 319734650 /nfs/dbraw/zinc/73/46/50/319734650.db2.gz MFMRSTCCIDAGOF-RISCZKNCSA-N 2 2 340.265 1.909 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)ccc1S(C)(=O)=O ZINC000423561784 319785646 /nfs/dbraw/zinc/78/56/46/319785646.db2.gz QCFSYVCDIBTRLI-JSGCOSHPSA-N 2 2 326.462 1.891 20 0 EDADLP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[NH2+]CCO2)cc1Br ZINC000423817030 319815778 /nfs/dbraw/zinc/81/57/78/319815778.db2.gz YQVRIMJIZQWYFD-CYBMUJFWSA-N 2 2 342.237 1.438 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279033889 443496004 /nfs/dbraw/zinc/49/60/04/443496004.db2.gz PXWXAROOGAIBMM-CQSZACIVSA-N 2 2 340.431 1.412 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000286053358 443635283 /nfs/dbraw/zinc/63/52/83/443635283.db2.gz SNMQXLHBMOFPFI-KURKYZTESA-N 2 2 346.475 1.404 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000286053358 443635286 /nfs/dbraw/zinc/63/52/86/443635286.db2.gz SNMQXLHBMOFPFI-KURKYZTESA-N 2 2 346.475 1.404 20 0 EDADLP COC1(C[C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCC1 ZINC000429419590 319929451 /nfs/dbraw/zinc/92/94/51/319929451.db2.gz TYOUUDGHOUCXER-LSDHHAIUSA-N 2 2 334.464 1.848 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272350134 443600316 /nfs/dbraw/zinc/60/03/16/443600316.db2.gz ADYSIRXPRLSUID-HXUWFJFHSA-N 2 2 330.520 1.830 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272350134 443600317 /nfs/dbraw/zinc/60/03/17/443600317.db2.gz ADYSIRXPRLSUID-HXUWFJFHSA-N 2 2 330.520 1.830 20 0 EDADLP CCn1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000279974792 443651377 /nfs/dbraw/zinc/65/13/77/443651377.db2.gz QLMGGKBIDJQOCT-HOTGVXAUSA-N 2 2 334.443 1.681 20 0 EDADLP CCn1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000279974792 443651381 /nfs/dbraw/zinc/65/13/81/443651381.db2.gz QLMGGKBIDJQOCT-HOTGVXAUSA-N 2 2 334.443 1.681 20 0 EDADLP Cn1nccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286141473 443655131 /nfs/dbraw/zinc/65/51/31/443655131.db2.gz VOZXQFLTNRSUPE-FQEVSTJZSA-N 2 2 339.487 1.812 20 0 EDADLP Cn1nccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286141473 443655132 /nfs/dbraw/zinc/65/51/32/443655132.db2.gz VOZXQFLTNRSUPE-FQEVSTJZSA-N 2 2 339.487 1.812 20 0 EDADLP c1cn(Cc2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c[nH+]1 ZINC000276174476 443662177 /nfs/dbraw/zinc/66/21/77/443662177.db2.gz JISOZCJXGPXJHV-OAHLLOKOSA-N 2 2 325.372 1.888 20 0 EDADLP c1cn(Cc2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c[nH+]1 ZINC000276174476 443662178 /nfs/dbraw/zinc/66/21/78/443662178.db2.gz JISOZCJXGPXJHV-OAHLLOKOSA-N 2 2 325.372 1.888 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000440259187 320066671 /nfs/dbraw/zinc/06/66/71/320066671.db2.gz KESYEIBFUBRVES-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000440259187 320066676 /nfs/dbraw/zinc/06/66/76/320066676.db2.gz KESYEIBFUBRVES-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC1 ZINC000445848867 320130840 /nfs/dbraw/zinc/13/08/40/320130840.db2.gz YSBSJGGPTXMETD-UHFFFAOYSA-N 2 2 333.358 1.729 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389131 320186633 /nfs/dbraw/zinc/18/66/33/320186633.db2.gz RIMGJZRLQQPEQL-YOEHRIQHSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389131 320186636 /nfs/dbraw/zinc/18/66/36/320186636.db2.gz RIMGJZRLQQPEQL-YOEHRIQHSA-N 2 2 337.439 1.979 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389605 320187185 /nfs/dbraw/zinc/18/71/85/320187185.db2.gz DFJGHTGLRGNXNR-HOTGVXAUSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389605 320187188 /nfs/dbraw/zinc/18/71/88/320187188.db2.gz DFJGHTGLRGNXNR-HOTGVXAUSA-N 2 2 349.475 1.849 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449396836 320188652 /nfs/dbraw/zinc/18/86/52/320188652.db2.gz SYKHOCVPVZUBTG-YOEHRIQHSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449396836 320188655 /nfs/dbraw/zinc/18/86/55/320188655.db2.gz SYKHOCVPVZUBTG-YOEHRIQHSA-N 2 2 337.439 1.979 20 0 EDADLP CC[C@@H](C)[C@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)OC ZINC000449400959 320189389 /nfs/dbraw/zinc/18/93/89/320189389.db2.gz FBOYQKTTZXZTRZ-AEFFLSMTSA-N 2 2 327.513 1.434 20 0 EDADLP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)OC ZINC000449400959 320189390 /nfs/dbraw/zinc/18/93/90/320189390.db2.gz FBOYQKTTZXZTRZ-AEFFLSMTSA-N 2 2 327.513 1.434 20 0 EDADLP CNc1nc(NC2CCN(c3cccc[nH+]3)CC2)[nH+]c2ccccc21 ZINC000450255023 320216525 /nfs/dbraw/zinc/21/65/25/320216525.db2.gz AAHPZSODMHRMOF-UHFFFAOYSA-N 2 2 334.427 1.991 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(-n2ccnn2)c1 ZINC000453274419 320262091 /nfs/dbraw/zinc/26/20/91/320262091.db2.gz WFEQDPXWEBSXPW-QAPCUYQASA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(-n2ccnn2)c1 ZINC000453274419 320262092 /nfs/dbraw/zinc/26/20/92/320262092.db2.gz WFEQDPXWEBSXPW-QAPCUYQASA-N 2 2 329.448 1.765 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457617646 320331466 /nfs/dbraw/zinc/33/14/66/320331466.db2.gz IANMEGBZXURZIS-UHFFFAOYSA-N 3 2 336.524 1.393 20 0 EDADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)nc1 ZINC000492759262 320385002 /nfs/dbraw/zinc/38/50/02/320385002.db2.gz BTGFRRIHDCAGKP-GQCTYLIASA-N 2 2 340.431 1.228 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C\c3cncs3)CC2)CC1 ZINC000493162614 320393789 /nfs/dbraw/zinc/39/37/89/320393789.db2.gz SWZQOBOTNPJRGF-IHWYPQMZSA-N 2 2 334.489 1.831 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC[NH+](CC)CC ZINC000283746685 443704890 /nfs/dbraw/zinc/70/48/90/443704890.db2.gz NTDHIVNDCNPESR-OAHLLOKOSA-N 2 2 349.479 1.415 20 0 EDADLP COc1ccccc1[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000520398112 320477682 /nfs/dbraw/zinc/47/76/82/320477682.db2.gz RGKUJXXAQGFJQZ-ZGMAETJZSA-N 2 2 348.487 1.785 20 0 EDADLP CSc1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000520423553 320478177 /nfs/dbraw/zinc/47/81/77/320478177.db2.gz FGHCQCOHYKDZIX-CQSZACIVSA-N 2 2 348.472 1.694 20 0 EDADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CCc3ccccc3C2)nc[nH+]1 ZINC000298326438 443747191 /nfs/dbraw/zinc/74/71/91/443747191.db2.gz RRRLIHNBRXDPAF-CQSZACIVSA-N 2 2 327.432 1.740 20 0 EDADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CCc3ccccc3C2)nc[nH+]1 ZINC000298326438 443747194 /nfs/dbraw/zinc/74/71/94/443747194.db2.gz RRRLIHNBRXDPAF-CQSZACIVSA-N 2 2 327.432 1.740 20 0 EDADLP CCCNC(=O)CCC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000298340397 443749920 /nfs/dbraw/zinc/74/99/20/443749920.db2.gz BJINDUJXAPSLBT-HNNXBMFYSA-N 2 2 334.464 1.907 20 0 EDADLP CCCNC(=O)CCC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000298340397 443749925 /nfs/dbraw/zinc/74/99/25/443749925.db2.gz BJINDUJXAPSLBT-HNNXBMFYSA-N 2 2 334.464 1.907 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000288103675 443772398 /nfs/dbraw/zinc/77/23/98/443772398.db2.gz XBEKKELVRLGZNU-GJZGRUSLSA-N 2 2 347.463 1.106 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000288103675 443772401 /nfs/dbraw/zinc/77/24/01/443772401.db2.gz XBEKKELVRLGZNU-GJZGRUSLSA-N 2 2 347.463 1.106 20 0 EDADLP c1nn(-c2ccccc2)nc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241460 320617153 /nfs/dbraw/zinc/61/71/53/320617153.db2.gz QAAHIXQYAPQRKB-LJQANCHMSA-N 2 2 341.459 1.858 20 0 EDADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000281346749 443886446 /nfs/dbraw/zinc/88/64/46/443886446.db2.gz VBTXOCCISLIOND-HOTGVXAUSA-N 2 2 335.423 1.751 20 0 EDADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000281346749 443886449 /nfs/dbraw/zinc/88/64/49/443886449.db2.gz VBTXOCCISLIOND-HOTGVXAUSA-N 2 2 335.423 1.751 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc2[nH]ccc21 ZINC000281223354 443852131 /nfs/dbraw/zinc/85/21/31/443852131.db2.gz KMPCWHJUEBLWOM-UHFFFAOYSA-N 2 2 344.459 1.390 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc2[nH]ccc21 ZINC000281223354 443852135 /nfs/dbraw/zinc/85/21/35/443852135.db2.gz KMPCWHJUEBLWOM-UHFFFAOYSA-N 2 2 344.459 1.390 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000277099087 443911562 /nfs/dbraw/zinc/91/15/62/443911562.db2.gz GJWROMQEMXZXLH-GOSISDBHSA-N 2 2 344.503 1.581 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000277099087 443911565 /nfs/dbraw/zinc/91/15/65/443911565.db2.gz GJWROMQEMXZXLH-GOSISDBHSA-N 2 2 344.503 1.581 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCCC[NH+]3CCOCC3)cn2c1 ZINC000298966911 443916309 /nfs/dbraw/zinc/91/63/09/443916309.db2.gz ZFGJNGMOOIUCGX-UHFFFAOYSA-N 2 2 331.420 1.164 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C(N)=O ZINC000285299258 443932430 /nfs/dbraw/zinc/93/24/30/443932430.db2.gz LBEAHCWUFXGHCD-SJLPKXTDSA-N 2 2 330.476 1.252 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C(N)=O ZINC000285299258 443932433 /nfs/dbraw/zinc/93/24/33/443932433.db2.gz LBEAHCWUFXGHCD-SJLPKXTDSA-N 2 2 330.476 1.252 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000293325089 443984731 /nfs/dbraw/zinc/98/47/31/443984731.db2.gz OAUJTSQDTNBFHO-HZPDHXFCSA-N 2 2 348.495 1.421 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000293325089 443984734 /nfs/dbraw/zinc/98/47/34/443984734.db2.gz OAUJTSQDTNBFHO-HZPDHXFCSA-N 2 2 348.495 1.421 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000293325089 443984739 /nfs/dbraw/zinc/98/47/39/443984739.db2.gz OAUJTSQDTNBFHO-HZPDHXFCSA-N 2 2 348.495 1.421 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000293325089 443984743 /nfs/dbraw/zinc/98/47/43/443984743.db2.gz OAUJTSQDTNBFHO-HZPDHXFCSA-N 2 2 348.495 1.421 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)[N@H+](C)C1 ZINC000285360110 443955771 /nfs/dbraw/zinc/95/57/71/443955771.db2.gz XRKPABQXJHLVHI-GJZGRUSLSA-N 2 2 329.404 1.058 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)[N@@H+](C)C1 ZINC000285360110 443955774 /nfs/dbraw/zinc/95/57/74/443955774.db2.gz XRKPABQXJHLVHI-GJZGRUSLSA-N 2 2 329.404 1.058 20 0 EDADLP C[S@@](=O)C1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000281905093 444036013 /nfs/dbraw/zinc/03/60/13/444036013.db2.gz ZJZILIDXBFXSQN-HSZRJFAPSA-N 2 2 328.401 1.534 20 0 EDADLP Cc1cnn(C)c1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000289036830 444038866 /nfs/dbraw/zinc/03/88/66/444038866.db2.gz BGZLRCIHQKQXNN-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1cnn(C)c1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000289036830 444038872 /nfs/dbraw/zinc/03/88/72/444038872.db2.gz BGZLRCIHQKQXNN-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)NC1CC1 ZINC000289043285 444041220 /nfs/dbraw/zinc/04/12/20/444041220.db2.gz BQLPSYSQUHYROA-HNNXBMFYSA-N 2 2 330.432 1.414 20 0 EDADLP O=C(C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)NC1CC1 ZINC000289043285 444041222 /nfs/dbraw/zinc/04/12/22/444041222.db2.gz BQLPSYSQUHYROA-HNNXBMFYSA-N 2 2 330.432 1.414 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000281809042 444010932 /nfs/dbraw/zinc/01/09/32/444010932.db2.gz VXTYLWDJXXSGQA-UHFFFAOYSA-N 2 2 349.866 1.655 20 0 EDADLP C[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1n1cc[nH+]c1 ZINC000557253568 321001215 /nfs/dbraw/zinc/00/12/15/321001215.db2.gz ORWDHASLBORAOZ-LLLHUVSDSA-N 2 2 331.464 1.864 20 0 EDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000562985170 321084767 /nfs/dbraw/zinc/08/47/67/321084767.db2.gz IADOFBBUEPSJOB-KRWDZBQOSA-N 2 2 346.500 1.508 20 0 EDADLP CN(C)c1c(Cl)cccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563415135 321109768 /nfs/dbraw/zinc/10/97/68/321109768.db2.gz FUGOLKTXLMKPIR-NSHDSACASA-N 2 2 325.844 1.513 20 0 EDADLP CN(C)c1c(Cl)cccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563415135 321109769 /nfs/dbraw/zinc/10/97/69/321109769.db2.gz FUGOLKTXLMKPIR-NSHDSACASA-N 2 2 325.844 1.513 20 0 EDADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000289264327 444091254 /nfs/dbraw/zinc/09/12/54/444091254.db2.gz OPOXFHSVXIXCAX-HUUCEWRRSA-N 2 2 335.423 1.751 20 0 EDADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000289264327 444091257 /nfs/dbraw/zinc/09/12/57/444091257.db2.gz OPOXFHSVXIXCAX-HUUCEWRRSA-N 2 2 335.423 1.751 20 0 EDADLP C[C@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[NH+](C)CC1 ZINC000299599104 444091361 /nfs/dbraw/zinc/09/13/61/444091361.db2.gz FFAMNJAOFAALJW-MRXNPFEDSA-N 2 2 345.491 1.324 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000565167179 321171833 /nfs/dbraw/zinc/17/18/33/321171833.db2.gz WMLMKJZUVTWIEK-MJGOQNOKSA-N 2 2 336.476 1.989 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000565167179 321171834 /nfs/dbraw/zinc/17/18/34/321171834.db2.gz WMLMKJZUVTWIEK-MJGOQNOKSA-N 2 2 336.476 1.989 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000565167179 321171835 /nfs/dbraw/zinc/17/18/35/321171835.db2.gz WMLMKJZUVTWIEK-MJGOQNOKSA-N 2 2 336.476 1.989 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000565167179 321171836 /nfs/dbraw/zinc/17/18/36/321171836.db2.gz WMLMKJZUVTWIEK-MJGOQNOKSA-N 2 2 336.476 1.989 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1 ZINC000565169337 321172321 /nfs/dbraw/zinc/17/23/21/321172321.db2.gz BWRAKRNNYGZZMU-MJGOQNOKSA-N 2 2 345.487 1.825 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3([S@](C)=O)CCC3)c2cc1C ZINC000565300502 321180387 /nfs/dbraw/zinc/18/03/87/321180387.db2.gz RNBXAVGFMYFOEF-OWJWWREXSA-N 2 2 349.500 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOC2CCCCCC2)C[C@H](C)O1 ZINC000565655641 321195625 /nfs/dbraw/zinc/19/56/25/321195625.db2.gz VZHAQBFKSVCCQL-IXDOHACOSA-N 2 2 328.497 1.786 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOC2CCCCCC2)C[C@H](C)O1 ZINC000565655641 321195626 /nfs/dbraw/zinc/19/56/26/321195626.db2.gz VZHAQBFKSVCCQL-IXDOHACOSA-N 2 2 328.497 1.786 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000565994893 321209000 /nfs/dbraw/zinc/20/90/00/321209000.db2.gz JXBHXMHRQOTQHZ-KBPBESRZSA-N 2 2 337.468 1.150 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000567657444 321250989 /nfs/dbraw/zinc/25/09/89/321250989.db2.gz QJVGIJXAXGIHHW-HNNXBMFYSA-N 2 2 327.432 1.828 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000567657444 321250991 /nfs/dbraw/zinc/25/09/91/321250991.db2.gz QJVGIJXAXGIHHW-HNNXBMFYSA-N 2 2 327.432 1.828 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH2+]C[C@H]3c3ccncc3)[nH+]c12 ZINC000567982544 321270877 /nfs/dbraw/zinc/27/08/77/321270877.db2.gz AFOQALYYPCJMMC-KRWDZBQOSA-N 2 2 335.411 1.753 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3C)c2)CC1 ZINC000568391384 321289372 /nfs/dbraw/zinc/28/93/72/321289372.db2.gz XCXFRSUFJOGTFY-RDTXWAMCSA-N 2 2 344.459 1.287 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2COc3ccccc3C2)C1=O ZINC000568739340 321303766 /nfs/dbraw/zinc/30/37/66/321303766.db2.gz GHTZYMXKFZYQJO-CVEARBPZSA-N 2 2 340.427 1.504 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCN(c3ccccc3)C2)C[C@@H](C)O1 ZINC000568990370 321313542 /nfs/dbraw/zinc/31/35/42/321313542.db2.gz BPGKGUNDTUZFPG-SOAMZJECSA-N 2 2 347.503 1.715 20 0 EDADLP C[C@H]1CSC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000569857464 321330323 /nfs/dbraw/zinc/33/03/23/321330323.db2.gz MSSNVUPALDFNDE-YOEHRIQHSA-N 2 2 349.500 1.798 20 0 EDADLP Cc1ccnc(-c2cccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2)n1 ZINC000570262490 321343089 /nfs/dbraw/zinc/34/30/89/321343089.db2.gz ZSDZSZCHZYMTCF-MRXNPFEDSA-N 2 2 340.431 1.559 20 0 EDADLP Cc1ccnc(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2)n1 ZINC000570262490 321343091 /nfs/dbraw/zinc/34/30/91/321343091.db2.gz ZSDZSZCHZYMTCF-MRXNPFEDSA-N 2 2 340.431 1.559 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000570938879 321364975 /nfs/dbraw/zinc/36/49/75/321364975.db2.gz AWSOXTVDDOFKNA-UHFFFAOYSA-N 2 2 330.366 1.728 20 0 EDADLP Cc1nn(C)c(C)c1CCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000570956036 321366658 /nfs/dbraw/zinc/36/66/58/321366658.db2.gz PSROQRUJPQHPOD-ZQIUZPCESA-N 2 2 338.496 1.029 20 0 EDADLP CC[NH+](CC)[C@H](CC(C)C)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000285805111 444113916 /nfs/dbraw/zinc/11/39/16/444113916.db2.gz DZEIUOPSAVUXMF-CABCVRRESA-N 2 2 335.452 1.629 20 0 EDADLP CC[NH+](CC)[C@H](CC(C)C)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000285805111 444113920 /nfs/dbraw/zinc/11/39/20/444113920.db2.gz DZEIUOPSAVUXMF-CABCVRRESA-N 2 2 335.452 1.629 20 0 EDADLP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000289415556 444136410 /nfs/dbraw/zinc/13/64/10/444136410.db2.gz PXFMPKSLEAVTLC-JLSDUUJJSA-N 2 2 339.430 1.755 20 0 EDADLP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000289415556 444136414 /nfs/dbraw/zinc/13/64/14/444136414.db2.gz PXFMPKSLEAVTLC-JLSDUUJJSA-N 2 2 339.430 1.755 20 0 EDADLP C[N@H+](C[C@H](O)CN[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415556 444136417 /nfs/dbraw/zinc/13/64/17/444136417.db2.gz PXFMPKSLEAVTLC-JLSDUUJJSA-N 2 2 339.430 1.755 20 0 EDADLP C[N@@H+](C[C@H](O)CN[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415556 444136421 /nfs/dbraw/zinc/13/64/21/444136421.db2.gz PXFMPKSLEAVTLC-JLSDUUJJSA-N 2 2 339.430 1.755 20 0 EDADLP C[NH+](C[C@H](O)CN[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415556 444136424 /nfs/dbraw/zinc/13/64/24/444136424.db2.gz PXFMPKSLEAVTLC-JLSDUUJJSA-N 2 2 339.430 1.755 20 0 EDADLP C[NH+](C[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415556 444136427 /nfs/dbraw/zinc/13/64/27/444136427.db2.gz PXFMPKSLEAVTLC-JLSDUUJJSA-N 2 2 339.430 1.755 20 0 EDADLP CC(C)C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(N)=O ZINC000285917102 444152466 /nfs/dbraw/zinc/15/24/66/444152466.db2.gz HVRJBZFAWHSOQQ-UHFFFAOYSA-N 2 2 332.492 1.642 20 0 EDADLP CC(C)C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(N)=O ZINC000285917102 444152470 /nfs/dbraw/zinc/15/24/70/444152470.db2.gz HVRJBZFAWHSOQQ-UHFFFAOYSA-N 2 2 332.492 1.642 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000301444121 444172116 /nfs/dbraw/zinc/17/21/16/444172116.db2.gz JLMOKEOFVDJVIE-HZPDHXFCSA-N 2 2 333.480 1.748 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000301444121 444172118 /nfs/dbraw/zinc/17/21/18/444172118.db2.gz JLMOKEOFVDJVIE-HZPDHXFCSA-N 2 2 333.480 1.748 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000301444121 444172121 /nfs/dbraw/zinc/17/21/21/444172121.db2.gz JLMOKEOFVDJVIE-HZPDHXFCSA-N 2 2 333.480 1.748 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000301444121 444172124 /nfs/dbraw/zinc/17/21/24/444172124.db2.gz JLMOKEOFVDJVIE-HZPDHXFCSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)nc1 ZINC000289883023 444215002 /nfs/dbraw/zinc/21/50/02/444215002.db2.gz SRCKVJZHUWEWIJ-WCQYABFASA-N 2 2 327.270 1.741 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Br)nc1 ZINC000289883023 444215005 /nfs/dbraw/zinc/21/50/05/444215005.db2.gz SRCKVJZHUWEWIJ-WCQYABFASA-N 2 2 327.270 1.741 20 0 EDADLP CC(C)C[C@@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)[NH+]1CCOCC1 ZINC000301629018 444182866 /nfs/dbraw/zinc/18/28/66/444182866.db2.gz HXVMCLYZDBCQRO-AWEZNQCLSA-N 2 2 345.451 1.403 20 0 EDADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000289646843 444185922 /nfs/dbraw/zinc/18/59/22/444185922.db2.gz XDRUAWKDHXFVKX-HDICACEKSA-N 2 2 341.455 1.527 20 0 EDADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000289646843 444185924 /nfs/dbraw/zinc/18/59/24/444185924.db2.gz XDRUAWKDHXFVKX-HDICACEKSA-N 2 2 341.455 1.527 20 0 EDADLP c1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)cc(NCC2CC2)[nH+]1 ZINC000301834383 444193051 /nfs/dbraw/zinc/19/30/51/444193051.db2.gz SUWCOSXDVDXIFX-MRXNPFEDSA-N 2 2 331.464 1.847 20 0 EDADLP c1nc(NCC2CC2)cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)[nH+]1 ZINC000301834383 444193052 /nfs/dbraw/zinc/19/30/52/444193052.db2.gz SUWCOSXDVDXIFX-MRXNPFEDSA-N 2 2 331.464 1.847 20 0 EDADLP COC[C@H](O)C[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301876832 444194700 /nfs/dbraw/zinc/19/47/00/444194700.db2.gz NIQUUQXERHAVFE-CYBMUJFWSA-N 2 2 333.354 1.984 20 0 EDADLP O=C(CC[NH2+]C1(CO)CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000305236317 444266659 /nfs/dbraw/zinc/26/66/59/444266659.db2.gz NUIGRBYGYMXGPK-UHFFFAOYSA-N 2 2 332.448 1.015 20 0 EDADLP O=C(COC1CC[NH2+]CC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000576939924 321608978 /nfs/dbraw/zinc/60/89/78/321608978.db2.gz RYGQDNPEHXVZNI-UHFFFAOYSA-N 2 2 328.416 1.316 20 0 EDADLP c1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000302920024 444232037 /nfs/dbraw/zinc/23/20/37/444232037.db2.gz YVWDFZQLYCGKQI-HNNXBMFYSA-N 2 2 347.463 1.226 20 0 EDADLP c1nc(N2CCOCC2)cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]1 ZINC000302920024 444232039 /nfs/dbraw/zinc/23/20/39/444232039.db2.gz YVWDFZQLYCGKQI-HNNXBMFYSA-N 2 2 347.463 1.226 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000304018861 444240182 /nfs/dbraw/zinc/24/01/82/444240182.db2.gz WYTHSFZOQVGBOY-CEXWTWQISA-N 2 2 339.524 1.266 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000304018861 444240183 /nfs/dbraw/zinc/24/01/83/444240183.db2.gz WYTHSFZOQVGBOY-CEXWTWQISA-N 2 2 339.524 1.266 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1c[nH+]cn1C ZINC000290671097 444308717 /nfs/dbraw/zinc/30/87/17/444308717.db2.gz HEFBMAYAHZIAAR-OAHLLOKOSA-N 2 2 327.432 1.836 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1c[nH+]cn1C ZINC000290671097 444308720 /nfs/dbraw/zinc/30/87/20/444308720.db2.gz HEFBMAYAHZIAAR-OAHLLOKOSA-N 2 2 327.432 1.836 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000297660771 444314998 /nfs/dbraw/zinc/31/49/98/444314998.db2.gz JMERYSRSTYOHDM-UHFFFAOYSA-N 2 2 330.480 1.732 20 0 EDADLP CCC1(CO)CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000305747372 444277162 /nfs/dbraw/zinc/27/71/62/444277162.db2.gz PXHPSJFRBHJFEG-UHFFFAOYSA-N 2 2 349.475 1.408 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297528660 444297237 /nfs/dbraw/zinc/29/72/37/444297237.db2.gz DHXGGRZANJVAFA-UHFFFAOYSA-N 2 2 331.420 1.244 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297528660 444297239 /nfs/dbraw/zinc/29/72/39/444297239.db2.gz DHXGGRZANJVAFA-UHFFFAOYSA-N 2 2 331.420 1.244 20 0 EDADLP CCCCc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000327112281 444380517 /nfs/dbraw/zinc/38/05/17/444380517.db2.gz GUGFXSXRNGGJGO-HUUCEWRRSA-N 2 2 349.479 1.492 20 0 EDADLP CCCCc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000327112281 444380523 /nfs/dbraw/zinc/38/05/23/444380523.db2.gz GUGFXSXRNGGJGO-HUUCEWRRSA-N 2 2 349.479 1.492 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000328893279 444390998 /nfs/dbraw/zinc/39/09/98/444390998.db2.gz AEJUUGQNNRHHDP-QGZVFWFLSA-N 2 2 346.475 1.406 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337767936 444396782 /nfs/dbraw/zinc/39/67/82/444396782.db2.gz UFLIROUZEIGPCE-LPHOPBHVSA-N 2 2 333.476 1.941 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337767936 444396788 /nfs/dbraw/zinc/39/67/88/444396788.db2.gz UFLIROUZEIGPCE-LPHOPBHVSA-N 2 2 333.476 1.941 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000331176585 444432049 /nfs/dbraw/zinc/43/20/49/444432049.db2.gz XMILROPLQZHMNF-CABCVRRESA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000331176585 444432054 /nfs/dbraw/zinc/43/20/54/444432054.db2.gz XMILROPLQZHMNF-CABCVRRESA-N 2 2 339.480 1.203 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000331724936 444484405 /nfs/dbraw/zinc/48/44/05/444484405.db2.gz LWMPOFUQZDKHBE-MCIONIFRSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC[N@H+]1C ZINC000331724936 444484407 /nfs/dbraw/zinc/48/44/07/444484407.db2.gz LWMPOFUQZDKHBE-MCIONIFRSA-N 2 2 333.436 1.062 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000580393334 322043788 /nfs/dbraw/zinc/04/37/88/322043788.db2.gz KNPMWGFBBSCNTA-HNNXBMFYSA-N 2 2 349.479 1.198 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000580541024 322063777 /nfs/dbraw/zinc/06/37/77/322063777.db2.gz JRPICAZWMOKSCK-MRXNPFEDSA-N 2 2 346.475 1.217 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000580541024 322063780 /nfs/dbraw/zinc/06/37/80/322063780.db2.gz JRPICAZWMOKSCK-MRXNPFEDSA-N 2 2 346.475 1.217 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000580633565 322076205 /nfs/dbraw/zinc/07/62/05/322076205.db2.gz IGONBUCBQFYONZ-KBPBESRZSA-N 2 2 329.448 1.766 20 0 EDADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000580771430 322093151 /nfs/dbraw/zinc/09/31/51/322093151.db2.gz NJHPQMWNKQRNCJ-HZPDHXFCSA-N 2 2 332.448 1.442 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000581001235 322122672 /nfs/dbraw/zinc/12/26/72/322122672.db2.gz HNPUOOKLQPDZEV-NJAFHUGGSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000581001235 322122673 /nfs/dbraw/zinc/12/26/73/322122673.db2.gz HNPUOOKLQPDZEV-NJAFHUGGSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000581001235 322122674 /nfs/dbraw/zinc/12/26/74/322122674.db2.gz HNPUOOKLQPDZEV-NJAFHUGGSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000581001235 322122675 /nfs/dbraw/zinc/12/26/75/322122675.db2.gz HNPUOOKLQPDZEV-NJAFHUGGSA-N 3 2 345.491 1.106 20 0 EDADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H](C)O ZINC000340771818 444505384 /nfs/dbraw/zinc/50/53/84/444505384.db2.gz OZWRFKNLDOBSMB-HNNXBMFYSA-N 2 2 339.505 1.484 20 0 EDADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H](C)O ZINC000340771818 444505385 /nfs/dbraw/zinc/50/53/85/444505385.db2.gz OZWRFKNLDOBSMB-HNNXBMFYSA-N 2 2 339.505 1.484 20 0 EDADLP [NH3+][C@@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cscn1 ZINC000581941552 322236165 /nfs/dbraw/zinc/23/61/65/322236165.db2.gz PYQPUZOBKIVBHK-MRXNPFEDSA-N 2 2 346.456 1.656 20 0 EDADLP CS(=O)(=O)N1CC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000338234245 444578490 /nfs/dbraw/zinc/57/84/90/444578490.db2.gz LNVFDKUHIPNCMA-OAHLLOKOSA-N 2 2 329.510 1.218 20 0 EDADLP CC(C)(C(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000338183045 444552415 /nfs/dbraw/zinc/55/24/15/444552415.db2.gz ZWPPAOPOOFGKND-UHFFFAOYSA-N 2 2 325.497 1.870 20 0 EDADLP CC[C@@]1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC[NH2+]1 ZINC000343794935 444595832 /nfs/dbraw/zinc/59/58/32/444595832.db2.gz TUWNWNNFFYSVHB-IBGZPJMESA-N 3 2 336.524 1.585 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000332924755 444598647 /nfs/dbraw/zinc/59/86/47/444598647.db2.gz XIGVQXPDOIAXTH-KBPBESRZSA-N 2 2 328.420 1.378 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332951347 444607846 /nfs/dbraw/zinc/60/78/46/444607846.db2.gz AZOQBSLTGAEQIK-JKSUJKDBSA-N 2 2 348.495 1.672 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343842065 444621971 /nfs/dbraw/zinc/62/19/71/444621971.db2.gz ZVGSTTRCILTGMR-MQVJKMGUSA-N 2 2 338.411 1.303 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338312377 444625408 /nfs/dbraw/zinc/62/54/08/444625408.db2.gz ISBYWYJVMMZQMV-SFHVURJKSA-N 2 2 339.480 1.160 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000342428640 444688440 /nfs/dbraw/zinc/68/84/40/444688440.db2.gz GFZUYRGDQYGHIX-UHFFFAOYSA-N 2 2 333.411 1.892 20 0 EDADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000338550325 444744749 /nfs/dbraw/zinc/74/47/49/444744749.db2.gz MWRJDIGPSGLSLL-ROUUACIJSA-N 2 2 329.444 1.437 20 0 EDADLP C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000338550325 444744754 /nfs/dbraw/zinc/74/47/54/444744754.db2.gz MWRJDIGPSGLSLL-ROUUACIJSA-N 2 2 329.444 1.437 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC[C@H]1CCCO1 ZINC000342601764 444768899 /nfs/dbraw/zinc/76/88/99/444768899.db2.gz LCAYEWVXPNFDBI-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342601764 444768902 /nfs/dbraw/zinc/76/89/02/444768902.db2.gz LCAYEWVXPNFDBI-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342606550 444772591 /nfs/dbraw/zinc/77/25/91/444772591.db2.gz QBIVENZZBCHLAZ-UHFFFAOYSA-N 2 2 341.415 1.717 20 0 EDADLP CC(C)(C)[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000344172340 444819780 /nfs/dbraw/zinc/81/97/80/444819780.db2.gz UCFORRRXKAHBHH-HNNXBMFYSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)(C)[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000344172340 444819783 /nfs/dbraw/zinc/81/97/83/444819783.db2.gz UCFORRRXKAHBHH-HNNXBMFYSA-N 2 2 325.497 1.581 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)Nc1cc(C)no1 ZINC000344190900 444831420 /nfs/dbraw/zinc/83/14/20/444831420.db2.gz XQWJLFPGMVBISG-UHFFFAOYSA-N 2 2 337.468 1.271 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)Nc1cc(C)no1 ZINC000344190900 444831424 /nfs/dbraw/zinc/83/14/24/444831424.db2.gz XQWJLFPGMVBISG-UHFFFAOYSA-N 2 2 337.468 1.271 20 0 EDADLP C[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000342765079 444854750 /nfs/dbraw/zinc/85/47/50/444854750.db2.gz LOALOFBRZREFGM-MRXNPFEDSA-N 2 2 345.487 1.679 20 0 EDADLP COCC[NH+]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000342764969 444854838 /nfs/dbraw/zinc/85/48/38/444854838.db2.gz KZPHOFLDGYPINS-UHFFFAOYSA-N 2 2 345.487 1.633 20 0 EDADLP C[N@H+]([C@H]1CCN(C2CC2)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000336880463 444828130 /nfs/dbraw/zinc/82/81/30/444828130.db2.gz QICCTWBFNPMXRQ-KRWDZBQOSA-N 2 2 331.464 1.043 20 0 EDADLP C[N@@H+]([C@H]1CCN(C2CC2)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000336880463 444828136 /nfs/dbraw/zinc/82/81/36/444828136.db2.gz QICCTWBFNPMXRQ-KRWDZBQOSA-N 2 2 331.464 1.043 20 0 EDADLP C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000342823291 444880427 /nfs/dbraw/zinc/88/04/27/444880427.db2.gz HNEHPHCXTFIOCS-AWEZNQCLSA-N 2 2 349.456 1.463 20 0 EDADLP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@@H]([NH3+])[C@@H](c3ccccc3)C2)C1=O ZINC000337044841 444915501 /nfs/dbraw/zinc/91/55/01/444915501.db2.gz DYGSNTHZVMCXED-HUUCEWRRSA-N 2 2 330.432 1.134 20 0 EDADLP CC1(C)NC(=O)N(CCC[N@H+]2C[C@@H]([NH3+])[C@@H](c3ccccc3)C2)C1=O ZINC000337044841 444915505 /nfs/dbraw/zinc/91/55/05/444915505.db2.gz DYGSNTHZVMCXED-HUUCEWRRSA-N 2 2 330.432 1.134 20 0 EDADLP Cc1nc(N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000339088457 445026294 /nfs/dbraw/zinc/02/62/94/445026294.db2.gz PKKMIVONBWMECF-KRWDZBQOSA-N 2 2 330.407 1.650 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000339089881 445028017 /nfs/dbraw/zinc/02/80/17/445028017.db2.gz CXQWWJCWGXYUBW-IAGOWNOFSA-N 2 2 347.507 1.370 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000341918936 445072054 /nfs/dbraw/zinc/07/20/54/445072054.db2.gz GRMJILZQMHRBPB-BPQIPLTHSA-N 2 2 346.475 1.231 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341918936 445072057 /nfs/dbraw/zinc/07/20/57/445072057.db2.gz GRMJILZQMHRBPB-BPQIPLTHSA-N 2 2 346.475 1.231 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341918936 445072059 /nfs/dbraw/zinc/07/20/59/445072059.db2.gz GRMJILZQMHRBPB-BPQIPLTHSA-N 2 2 346.475 1.231 20 0 EDADLP CCc1nc(N2CC[NH+]([C@H](C)C(=O)NCCCOC)CC2)cc(C)[nH+]1 ZINC000341940917 445083393 /nfs/dbraw/zinc/08/33/93/445083393.db2.gz HRNROKLWCAIAIO-OAHLLOKOSA-N 2 2 349.479 1.011 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000337549285 445133340 /nfs/dbraw/zinc/13/33/40/445133340.db2.gz QMPVABMHYYVVLH-IAGOWNOFSA-N 2 2 333.480 1.290 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)[NH+](CC)CC ZINC000342031051 445134080 /nfs/dbraw/zinc/13/40/80/445134080.db2.gz GDSUOBLSQHINDF-GJZGRUSLSA-N 2 2 327.469 1.203 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)[NH+](CC)CC ZINC000342031051 445134085 /nfs/dbraw/zinc/13/40/85/445134085.db2.gz GDSUOBLSQHINDF-GJZGRUSLSA-N 2 2 327.469 1.203 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@@H+](C2CCC2)C1 ZINC000344742267 445139291 /nfs/dbraw/zinc/13/92/91/445139291.db2.gz PBTRCAMLMUPNBO-APWZRJJASA-N 2 2 349.519 1.820 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@H+](C2CCC2)C1 ZINC000344742267 445139295 /nfs/dbraw/zinc/13/92/95/445139295.db2.gz PBTRCAMLMUPNBO-APWZRJJASA-N 2 2 349.519 1.820 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH+](C2CCC2)C1 ZINC000344742267 445139304 /nfs/dbraw/zinc/13/93/04/445139304.db2.gz PBTRCAMLMUPNBO-APWZRJJASA-N 2 2 349.519 1.820 20 0 EDADLP COCCN1C(=O)N[C@H]2C[N@@H+](CCCc3ccc(C)[nH+]c3)CC[C@H]21 ZINC000344644111 445101705 /nfs/dbraw/zinc/10/17/05/445101705.db2.gz WFTDRQQNXGEHIM-DLBZAZTESA-N 2 2 332.448 1.437 20 0 EDADLP COCCN1C(=O)N[C@H]2C[N@H+](CCCc3ccc(C)[nH+]c3)CC[C@H]21 ZINC000344644111 445101708 /nfs/dbraw/zinc/10/17/08/445101708.db2.gz WFTDRQQNXGEHIM-DLBZAZTESA-N 2 2 332.448 1.437 20 0 EDADLP Cc1ccc([C@H](C)[C@H](O)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000344664464 445113619 /nfs/dbraw/zinc/11/36/19/445113619.db2.gz NZZQLWPZMSSKIF-LPHOPBHVSA-N 2 2 347.503 1.602 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000337607993 445165193 /nfs/dbraw/zinc/16/51/93/445165193.db2.gz SQUCEOCWIUSNJU-GJZGRUSLSA-N 2 2 340.443 1.696 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000337607993 445165196 /nfs/dbraw/zinc/16/51/96/445165196.db2.gz SQUCEOCWIUSNJU-GJZGRUSLSA-N 2 2 340.443 1.696 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccs2)C(C)(C)CO)CC1 ZINC000330855893 445167956 /nfs/dbraw/zinc/16/79/56/445167956.db2.gz PLLXJUYKRZTHCN-OAHLLOKOSA-N 2 2 325.478 1.171 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000343403818 445216554 /nfs/dbraw/zinc/21/65/54/445216554.db2.gz ITHQNYVXPNCOQI-MSOLQXFVSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000343403818 445216555 /nfs/dbraw/zinc/21/65/55/445216555.db2.gz ITHQNYVXPNCOQI-MSOLQXFVSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000343403818 445216556 /nfs/dbraw/zinc/21/65/56/445216556.db2.gz ITHQNYVXPNCOQI-MSOLQXFVSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000343403818 445216558 /nfs/dbraw/zinc/21/65/58/445216558.db2.gz ITHQNYVXPNCOQI-MSOLQXFVSA-N 2 2 335.492 1.763 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000345835182 445200659 /nfs/dbraw/zinc/20/06/59/445200659.db2.gz CMRCKCRTUOACNY-MRXNPFEDSA-N 2 2 340.512 1.070 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000345835182 445200661 /nfs/dbraw/zinc/20/06/61/445200661.db2.gz CMRCKCRTUOACNY-MRXNPFEDSA-N 2 2 340.512 1.070 20 0 EDADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1cccc(Cl)c1 ZINC000345999699 445203682 /nfs/dbraw/zinc/20/36/82/445203682.db2.gz FYYQBQGIYBYLBS-CVEARBPZSA-N 2 2 336.867 1.059 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000347508936 445240048 /nfs/dbraw/zinc/24/00/48/445240048.db2.gz VEZYWXKQDSDJEG-XHSDSOJGSA-N 2 2 349.479 1.244 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000347508936 445240049 /nfs/dbraw/zinc/24/00/49/445240049.db2.gz VEZYWXKQDSDJEG-XHSDSOJGSA-N 2 2 349.479 1.244 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000348213734 445318257 /nfs/dbraw/zinc/31/82/57/445318257.db2.gz AFWAENDUNGMSAR-CQSZACIVSA-N 2 2 331.420 1.531 20 0 EDADLP CCC(CC)[C@H](CNC(=O)NCc1[nH+]ccn1C)[NH+]1CCOCC1 ZINC000348219479 445320152 /nfs/dbraw/zinc/32/01/52/445320152.db2.gz ZSFQSYRPXPNRCY-HNNXBMFYSA-N 2 2 337.468 1.356 20 0 EDADLP CCCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348105672 445270006 /nfs/dbraw/zinc/27/00/06/445270006.db2.gz QHJLVMUUCRCABY-KKUMJFAQSA-N 2 2 339.459 1.179 20 0 EDADLP CCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348105672 445270011 /nfs/dbraw/zinc/27/00/11/445270011.db2.gz QHJLVMUUCRCABY-KKUMJFAQSA-N 2 2 339.459 1.179 20 0 EDADLP COc1ccnc(C[N@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000348110771 445272029 /nfs/dbraw/zinc/27/20/29/445272029.db2.gz CKSGSSCLLBNHAO-GDBMZVCRSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccnc(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000348110771 445272035 /nfs/dbraw/zinc/27/20/35/445272035.db2.gz CKSGSSCLLBNHAO-GDBMZVCRSA-N 2 2 347.438 1.868 20 0 EDADLP O=C1C[C@@H]([NH2+]CCCC2CCCCC2)CN1CC[NH+]1CCOCC1 ZINC000348110283 445272706 /nfs/dbraw/zinc/27/27/06/445272706.db2.gz FUKQEALZEVITKV-GOSISDBHSA-N 2 2 337.508 1.870 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)CCOCC(F)F ZINC000348116635 445276609 /nfs/dbraw/zinc/27/66/09/445276609.db2.gz GXGDCLUSTQOIHT-QWHCGFSZSA-N 2 2 334.386 1.546 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CCOCC(F)F ZINC000348116635 445276612 /nfs/dbraw/zinc/27/66/12/445276612.db2.gz GXGDCLUSTQOIHT-QWHCGFSZSA-N 2 2 334.386 1.546 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)O1 ZINC000348414094 445282968 /nfs/dbraw/zinc/28/29/68/445282968.db2.gz WYIYABCAIWGFSP-ZIAGYGMSSA-N 2 2 326.510 1.746 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000348151312 445289900 /nfs/dbraw/zinc/28/99/00/445289900.db2.gz NFYHMMKPCMEMLP-XHSDSOJGSA-N 2 2 344.459 1.518 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000348261650 445331382 /nfs/dbraw/zinc/33/13/82/445331382.db2.gz PXPCDMCCASECLN-FHWLQOOXSA-N 2 2 343.471 1.313 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1)CCCC2 ZINC000351824701 445334549 /nfs/dbraw/zinc/33/45/49/445334549.db2.gz SEPQWLUBQBDOJV-CQSZACIVSA-N 2 2 340.493 1.209 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)[C@@H](C)C1 ZINC000348738784 445358841 /nfs/dbraw/zinc/35/88/41/445358841.db2.gz ARHVAAVWSBHZJT-UXLLHSPISA-N 2 2 337.489 1.379 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)[C@@H](C)C1 ZINC000348738784 445358843 /nfs/dbraw/zinc/35/88/43/445358843.db2.gz ARHVAAVWSBHZJT-UXLLHSPISA-N 2 2 337.489 1.379 20 0 EDADLP Cn1ccnc1[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000356987111 445362696 /nfs/dbraw/zinc/36/26/96/445362696.db2.gz UJIOBISMGZUFDJ-GOSISDBHSA-N 2 2 345.466 1.876 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000357000094 445369178 /nfs/dbraw/zinc/36/91/78/445369178.db2.gz LCCHUHYGDHQYEO-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000357000094 445369180 /nfs/dbraw/zinc/36/91/80/445369180.db2.gz LCCHUHYGDHQYEO-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnn(CC(F)F)c1 ZINC000351807057 445328122 /nfs/dbraw/zinc/32/81/22/445328122.db2.gz GQMRELZIQIPCKR-KFWWJZLASA-N 2 2 328.407 1.832 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnn(CC(F)F)c1 ZINC000351807057 445328123 /nfs/dbraw/zinc/32/81/23/445328123.db2.gz GQMRELZIQIPCKR-KFWWJZLASA-N 2 2 328.407 1.832 20 0 EDADLP C[N@H+](CC(=O)NC(C1CC1)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362488981 445408192 /nfs/dbraw/zinc/40/81/92/445408192.db2.gz UAZSLXGFIWTSGO-GOSISDBHSA-N 2 2 348.535 1.392 20 0 EDADLP C[N@@H+](CC(=O)NC(C1CC1)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362488981 445408196 /nfs/dbraw/zinc/40/81/96/445408196.db2.gz UAZSLXGFIWTSGO-GOSISDBHSA-N 2 2 348.535 1.392 20 0 EDADLP CN(CC(=O)NC(C1CC1)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362488981 445408200 /nfs/dbraw/zinc/40/82/00/445408200.db2.gz UAZSLXGFIWTSGO-GOSISDBHSA-N 2 2 348.535 1.392 20 0 EDADLP CN(CC(=O)NC(C1CC1)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362488981 445408202 /nfs/dbraw/zinc/40/82/02/445408202.db2.gz UAZSLXGFIWTSGO-GOSISDBHSA-N 2 2 348.535 1.392 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000357086894 445419275 /nfs/dbraw/zinc/41/92/75/445419275.db2.gz RNPVTBTWSXNHDY-WDSOQIARSA-N 2 2 345.487 1.812 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000357086894 445419279 /nfs/dbraw/zinc/41/92/79/445419279.db2.gz RNPVTBTWSXNHDY-WDSOQIARSA-N 2 2 345.487 1.812 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357088545 445419583 /nfs/dbraw/zinc/41/95/83/445419583.db2.gz XSTFBHXUZBMTJN-IRXDYDNUSA-N 2 2 331.460 1.633 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357088545 445419589 /nfs/dbraw/zinc/41/95/89/445419589.db2.gz XSTFBHXUZBMTJN-IRXDYDNUSA-N 2 2 331.460 1.633 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@H]1[NH+](C)C ZINC000359776042 445422187 /nfs/dbraw/zinc/42/21/87/445422187.db2.gz VNDMXXLEBOWMFN-CRAIPNDOSA-N 2 2 331.460 1.541 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1cccc(N2CCCC2=O)c1 ZINC000357091566 445422458 /nfs/dbraw/zinc/42/24/58/445422458.db2.gz SDHSWLQRAYLDKD-LSDHHAIUSA-N 2 2 342.443 1.293 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1cccc(N2CCCC2=O)c1 ZINC000357091566 445422464 /nfs/dbraw/zinc/42/24/64/445422464.db2.gz SDHSWLQRAYLDKD-LSDHHAIUSA-N 2 2 342.443 1.293 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357092850 445423322 /nfs/dbraw/zinc/42/33/22/445423322.db2.gz XTRDNXUXSPGBJE-BFYDXBDKSA-N 2 2 340.471 1.756 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357092850 445423329 /nfs/dbraw/zinc/42/33/29/445423329.db2.gz XTRDNXUXSPGBJE-BFYDXBDKSA-N 2 2 340.471 1.756 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@@H+]1C ZINC000351992023 445423555 /nfs/dbraw/zinc/42/35/55/445423555.db2.gz AKJTYEKGAUTZNK-SOLBZPMBSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@H+]1C ZINC000351992023 445423559 /nfs/dbraw/zinc/42/35/59/445423559.db2.gz AKJTYEKGAUTZNK-SOLBZPMBSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1C ZINC000351992023 445423563 /nfs/dbraw/zinc/42/35/63/445423563.db2.gz AKJTYEKGAUTZNK-SOLBZPMBSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1C ZINC000351992023 445423568 /nfs/dbraw/zinc/42/35/68/445423568.db2.gz AKJTYEKGAUTZNK-SOLBZPMBSA-N 2 2 331.460 1.438 20 0 EDADLP CCN(C)c1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cn1 ZINC000359725964 445394901 /nfs/dbraw/zinc/39/49/01/445394901.db2.gz WCZFYHPEKDPVDF-UHFFFAOYSA-N 2 2 333.480 1.180 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CCCN(S(=O)(=O)C3CC3)C2)c[nH+]1 ZINC000348811770 445396059 /nfs/dbraw/zinc/39/60/59/445396059.db2.gz DAZRAVLZSGOQDO-INIZCTEOSA-N 2 2 337.489 1.869 20 0 EDADLP O=C(CCOC1C[NH2+]C1)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000349011582 445476115 /nfs/dbraw/zinc/47/61/15/445476115.db2.gz YVLJVNXMBIVYLK-UHFFFAOYSA-N 2 2 342.443 1.511 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)cn2c1 ZINC000357115792 445436290 /nfs/dbraw/zinc/43/62/90/445436290.db2.gz ADRVFRYAYGPITQ-IDHHARJASA-N 2 2 342.443 1.791 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C[N@@H+]1C ZINC000352011688 445437539 /nfs/dbraw/zinc/43/75/39/445437539.db2.gz CJBVEONEZZITBF-CVEARBPZSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C[N@H+]1C ZINC000352011688 445437545 /nfs/dbraw/zinc/43/75/45/445437545.db2.gz CJBVEONEZZITBF-CVEARBPZSA-N 2 2 331.460 1.683 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)c1 ZINC000359830236 445450148 /nfs/dbraw/zinc/45/01/48/445450148.db2.gz JXPSCYLESVNPPY-UHFFFAOYSA-N 2 2 346.475 1.541 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000355337727 445455998 /nfs/dbraw/zinc/45/59/98/445455998.db2.gz SAAAHFDINIKJNZ-IEBWSBKVSA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000355337727 445456002 /nfs/dbraw/zinc/45/60/02/445456002.db2.gz SAAAHFDINIKJNZ-IEBWSBKVSA-N 2 2 349.519 1.820 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@H](F)C[C@H]1CN(C)C(=O)C[NH+](C)C ZINC000352052790 445461613 /nfs/dbraw/zinc/46/16/13/445461613.db2.gz NTVLTWVYHWLBKY-OLZOCXBDSA-N 2 2 328.457 1.384 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@H](F)C[C@H]1CN(C)C(=O)C[NH+](C)C ZINC000352052790 445461616 /nfs/dbraw/zinc/46/16/16/445461616.db2.gz NTVLTWVYHWLBKY-OLZOCXBDSA-N 2 2 328.457 1.384 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348983198 445464871 /nfs/dbraw/zinc/46/48/71/445464871.db2.gz YLMGMCCHWCGXEE-BBWFWOEESA-N 2 2 341.496 1.103 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348983198 445464873 /nfs/dbraw/zinc/46/48/73/445464873.db2.gz YLMGMCCHWCGXEE-BBWFWOEESA-N 2 2 341.496 1.103 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348983198 445464874 /nfs/dbraw/zinc/46/48/74/445464874.db2.gz YLMGMCCHWCGXEE-BBWFWOEESA-N 2 2 341.496 1.103 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348983198 445464875 /nfs/dbraw/zinc/46/48/75/445464875.db2.gz YLMGMCCHWCGXEE-BBWFWOEESA-N 2 2 341.496 1.103 20 0 EDADLP O=C1[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1c1cccc(Cl)c1 ZINC000352527001 445536415 /nfs/dbraw/zinc/53/64/15/445536415.db2.gz VBNWWHGUKRKFAG-IAGOWNOFSA-N 2 2 348.878 1.425 20 0 EDADLP Cn1ncc(Cl)c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000349061305 445491829 /nfs/dbraw/zinc/49/18/29/445491829.db2.gz INOAWUSSVHYICK-UHFFFAOYSA-N 2 2 325.888 1.533 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000362697676 445505173 /nfs/dbraw/zinc/50/51/73/445505173.db2.gz LEPJIGVOJZAUAJ-GOSISDBHSA-N 2 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000362697855 445505492 /nfs/dbraw/zinc/50/54/92/445505492.db2.gz LRRXOBIEFGMUQZ-CQSZACIVSA-N 2 2 334.489 1.807 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000362697855 445505499 /nfs/dbraw/zinc/50/54/99/445505499.db2.gz LRRXOBIEFGMUQZ-CQSZACIVSA-N 2 2 334.489 1.807 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000357433045 445558970 /nfs/dbraw/zinc/55/89/70/445558970.db2.gz COBILUDWOFAFAK-RBUKOAKNSA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000357433045 445558973 /nfs/dbraw/zinc/55/89/73/445558973.db2.gz COBILUDWOFAFAK-RBUKOAKNSA-N 2 2 345.487 1.734 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000355945455 445540051 /nfs/dbraw/zinc/54/00/51/445540051.db2.gz XFINNEFPAMHBET-HUUCEWRRSA-N 2 2 332.448 1.317 20 0 EDADLP Cc1cccc2ncc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)n21 ZINC000349545199 445609407 /nfs/dbraw/zinc/60/94/07/445609407.db2.gz PCACHUBDHMGGOW-UHFFFAOYSA-N 2 2 327.476 1.856 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362926928 445613290 /nfs/dbraw/zinc/61/32/90/445613290.db2.gz DTNGCUHWXLQEHM-UHFFFAOYSA-N 2 2 332.423 1.949 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353492970 445627735 /nfs/dbraw/zinc/62/77/35/445627735.db2.gz QREOWDNUBNZUDN-OTWHNJEPSA-N 3 2 343.519 1.796 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353492970 445627738 /nfs/dbraw/zinc/62/77/38/445627738.db2.gz QREOWDNUBNZUDN-OTWHNJEPSA-N 3 2 343.519 1.796 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000356116056 445629735 /nfs/dbraw/zinc/62/97/35/445629735.db2.gz KCBGVIHBWNTPMX-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000356116056 445629740 /nfs/dbraw/zinc/62/97/40/445629740.db2.gz KCBGVIHBWNTPMX-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP Cn1cc[nH+]c1CN(CC(=O)NCC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000360281254 445674583 /nfs/dbraw/zinc/67/45/83/445674583.db2.gz DBSWIMGYIHOVMK-MRXNPFEDSA-N 2 2 345.491 1.281 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000349778827 445675116 /nfs/dbraw/zinc/67/51/16/445675116.db2.gz XNOCATIKHJLBDL-MRXNPFEDSA-N 2 2 328.501 1.471 20 0 EDADLP C[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000363119032 445685331 /nfs/dbraw/zinc/68/53/31/445685331.db2.gz GLFJXMHXKPGTDJ-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP C[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000363119032 445685334 /nfs/dbraw/zinc/68/53/34/445685334.db2.gz GLFJXMHXKPGTDJ-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP CN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000363119032 445685337 /nfs/dbraw/zinc/68/53/37/445685337.db2.gz GLFJXMHXKPGTDJ-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000363186132 445713177 /nfs/dbraw/zinc/71/31/77/445713177.db2.gz LNYPGUCODIRZAG-LJQANCHMSA-N 2 2 331.460 1.180 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206529 445720781 /nfs/dbraw/zinc/72/07/81/445720781.db2.gz LFKUPIBGSQHACJ-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206529 445720785 /nfs/dbraw/zinc/72/07/85/445720785.db2.gz LFKUPIBGSQHACJ-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3noc4ccccc43)C2)CC1 ZINC000363339071 445771908 /nfs/dbraw/zinc/77/19/08/445771908.db2.gz QGEPPTFTQWLIKN-AWEZNQCLSA-N 2 2 342.443 1.655 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3noc4ccccc43)C2)CC1 ZINC000363339071 445771912 /nfs/dbraw/zinc/77/19/12/445771912.db2.gz QGEPPTFTQWLIKN-AWEZNQCLSA-N 2 2 342.443 1.655 20 0 EDADLP CCCC[C@@H](COC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363236320 445735107 /nfs/dbraw/zinc/73/51/07/445735107.db2.gz OZQPZLXTJCZKEK-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP CCCC[C@@H](COC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363236320 445735111 /nfs/dbraw/zinc/73/51/11/445735111.db2.gz OZQPZLXTJCZKEK-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP Cc1nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000360876974 445737183 /nfs/dbraw/zinc/73/71/83/445737183.db2.gz MPDLLTLNCPVOCJ-BBRMVZONSA-N 2 2 326.448 2.178 20 0 EDADLP COC(=O)c1coc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000349970641 445737416 /nfs/dbraw/zinc/73/74/16/445737416.db2.gz JDXXENVTJRDLIO-UHFFFAOYSA-N 2 2 345.403 1.244 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000356353257 445748926 /nfs/dbraw/zinc/74/89/26/445748926.db2.gz KAPJQRDWPMDQKU-HNNXBMFYSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000356353257 445748931 /nfs/dbraw/zinc/74/89/31/445748931.db2.gz KAPJQRDWPMDQKU-HNNXBMFYSA-N 2 2 335.452 1.294 20 0 EDADLP Cc1nn(C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353954054 445826160 /nfs/dbraw/zinc/82/61/60/445826160.db2.gz IBKOJOWBJNTFEW-WWTUQBGBSA-N 2 2 333.480 1.463 20 0 EDADLP Cc1nn(C)cc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353954054 445826163 /nfs/dbraw/zinc/82/61/63/445826163.db2.gz IBKOJOWBJNTFEW-WWTUQBGBSA-N 2 2 333.480 1.463 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000350148507 445779729 /nfs/dbraw/zinc/77/97/29/445779729.db2.gz CCIUMUOZPDSNOO-HUUCEWRRSA-N 2 2 338.452 1.743 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000350148507 445779732 /nfs/dbraw/zinc/77/97/32/445779732.db2.gz CCIUMUOZPDSNOO-HUUCEWRRSA-N 2 2 338.452 1.743 20 0 EDADLP COCC1(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]CC1 ZINC000358845401 445806469 /nfs/dbraw/zinc/80/64/69/445806469.db2.gz HDJLPSZENBVOQF-AWEZNQCLSA-N 2 2 348.491 1.628 20 0 EDADLP CO[C@@H]1CC[C@H](NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000350559455 445850047 /nfs/dbraw/zinc/85/00/47/445850047.db2.gz RKDHGPLWKBQUAW-HLLBOEOZSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000350559455 445850048 /nfs/dbraw/zinc/85/00/48/445850048.db2.gz RKDHGPLWKBQUAW-HLLBOEOZSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000356542817 445850560 /nfs/dbraw/zinc/85/05/60/445850560.db2.gz HUKALDCIUIHBBK-JKSUJKDBSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000356542817 445850564 /nfs/dbraw/zinc/85/05/64/445850564.db2.gz HUKALDCIUIHBBK-JKSUJKDBSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000361734825 445905288 /nfs/dbraw/zinc/90/52/88/445905288.db2.gz HEVVQVYONXSLMC-LJQANCHMSA-N 2 2 339.524 1.578 20 0 EDADLP CC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCOCC1 ZINC000361734825 445905292 /nfs/dbraw/zinc/90/52/92/445905292.db2.gz HEVVQVYONXSLMC-LJQANCHMSA-N 2 2 339.524 1.578 20 0 EDADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CS1 ZINC000364855552 445962141 /nfs/dbraw/zinc/96/21/41/445962141.db2.gz WNAYXAHEDDWTPE-OAGGEKHMSA-N 2 2 341.521 1.039 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCc2ccccc21 ZINC000369170596 445967100 /nfs/dbraw/zinc/96/71/00/445967100.db2.gz VFBFDHIFISREAN-HXUWFJFHSA-N 2 2 345.487 1.617 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCc2ccccc21 ZINC000369170596 445967105 /nfs/dbraw/zinc/96/71/05/445967105.db2.gz VFBFDHIFISREAN-HXUWFJFHSA-N 2 2 345.487 1.617 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000365027282 445981726 /nfs/dbraw/zinc/98/17/26/445981726.db2.gz GRAXLUXPHVKNAH-PMPSAXMXSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000365027282 445981732 /nfs/dbraw/zinc/98/17/32/445981732.db2.gz GRAXLUXPHVKNAH-PMPSAXMXSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]cn1 ZINC000365027282 445981739 /nfs/dbraw/zinc/98/17/39/445981739.db2.gz GRAXLUXPHVKNAH-PMPSAXMXSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]cn1 ZINC000365027282 445981747 /nfs/dbraw/zinc/98/17/47/445981747.db2.gz GRAXLUXPHVKNAH-PMPSAXMXSA-N 2 2 331.464 1.867 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000351058853 445981819 /nfs/dbraw/zinc/98/18/19/445981819.db2.gz AAWZOLQUCQSWEP-HOTGVXAUSA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000351058853 445981825 /nfs/dbraw/zinc/98/18/25/445981825.db2.gz AAWZOLQUCQSWEP-HOTGVXAUSA-N 2 2 349.479 1.020 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)no1 ZINC000359154371 445985988 /nfs/dbraw/zinc/98/59/88/445985988.db2.gz AZYFUVCOGNVAOR-OAHLLOKOSA-N 2 2 330.432 1.639 20 0 EDADLP COc1cccc(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369252497 446022650 /nfs/dbraw/zinc/02/26/50/446022650.db2.gz VLCAUGNWYQENHZ-HNNXBMFYSA-N 2 2 332.448 1.985 20 0 EDADLP COc1cccc(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369252497 446022657 /nfs/dbraw/zinc/02/26/57/446022657.db2.gz VLCAUGNWYQENHZ-HNNXBMFYSA-N 2 2 332.448 1.985 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2c(nn(CC(F)F)c2=O)C1 ZINC000366122554 446026530 /nfs/dbraw/zinc/02/65/30/446026530.db2.gz IUUBJALZVAIBMV-UHFFFAOYSA-N 2 2 340.378 1.111 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CCn2c(nn(CC(F)F)c2=O)C1 ZINC000366122554 446026536 /nfs/dbraw/zinc/02/65/36/446026536.db2.gz IUUBJALZVAIBMV-UHFFFAOYSA-N 2 2 340.378 1.111 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000369267425 446032036 /nfs/dbraw/zinc/03/20/36/446032036.db2.gz DADWAGJHXDWUMD-INIZCTEOSA-N 2 2 346.479 1.409 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000351332621 446034414 /nfs/dbraw/zinc/03/44/14/446034414.db2.gz UBLLWBYWFCAFKS-LJQANCHMSA-N 3 2 332.492 1.951 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000351332621 446034420 /nfs/dbraw/zinc/03/44/20/446034420.db2.gz UBLLWBYWFCAFKS-LJQANCHMSA-N 3 2 332.492 1.951 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000361893761 446046778 /nfs/dbraw/zinc/04/67/78/446046778.db2.gz ROKYCTSINSWVPN-FHWLQOOXSA-N 3 2 341.540 1.681 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000361893761 446046785 /nfs/dbraw/zinc/04/67/85/446046785.db2.gz ROKYCTSINSWVPN-FHWLQOOXSA-N 3 2 341.540 1.681 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2nc(-c3ccccc3)no2)CC12CCOCC2 ZINC000583145435 326012229 /nfs/dbraw/zinc/01/22/29/326012229.db2.gz YZQGTJPCJZFOPX-OAHLLOKOSA-N 2 2 328.416 1.924 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3)no2)CC12CCOCC2 ZINC000583145435 326012232 /nfs/dbraw/zinc/01/22/32/326012232.db2.gz YZQGTJPCJZFOPX-OAHLLOKOSA-N 2 2 328.416 1.924 20 0 EDADLP CC(C)[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000361899085 446049349 /nfs/dbraw/zinc/04/93/49/446049349.db2.gz GOXWERFOSIVTPC-LJQANCHMSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000361899085 446049358 /nfs/dbraw/zinc/04/93/58/446049358.db2.gz GOXWERFOSIVTPC-LJQANCHMSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000361899085 446049365 /nfs/dbraw/zinc/04/93/65/446049365.db2.gz GOXWERFOSIVTPC-LJQANCHMSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000361899085 446049369 /nfs/dbraw/zinc/04/93/69/446049369.db2.gz GOXWERFOSIVTPC-LJQANCHMSA-N 2 2 345.487 1.876 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000583603401 326101651 /nfs/dbraw/zinc/10/16/51/326101651.db2.gz BEPSYQHNJPGEQT-STQMWFEESA-N 2 2 332.370 1.896 20 0 EDADLP CN(C(=O)[C@@H]1COc2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369296545 446054789 /nfs/dbraw/zinc/05/47/89/446054789.db2.gz DLTBKLKOTIQRBY-SJLPKXTDSA-N 2 2 343.471 1.790 20 0 EDADLP CN(C(=O)[C@@H]1COc2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369296545 446054791 /nfs/dbraw/zinc/05/47/91/446054791.db2.gz DLTBKLKOTIQRBY-SJLPKXTDSA-N 2 2 343.471 1.790 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000583747914 326131495 /nfs/dbraw/zinc/13/14/95/326131495.db2.gz JUEQLLYIFQJCII-CRAIPNDOSA-N 2 2 329.448 1.454 20 0 EDADLP Cn1cc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2ccc(F)cc21 ZINC000584281331 326233821 /nfs/dbraw/zinc/23/38/21/326233821.db2.gz ZQSWNQGWXKSJRN-OAHLLOKOSA-N 2 2 347.438 1.144 20 0 EDADLP Cn1cc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2ccc(F)cc21 ZINC000584281331 326233825 /nfs/dbraw/zinc/23/38/25/326233825.db2.gz ZQSWNQGWXKSJRN-OAHLLOKOSA-N 2 2 347.438 1.144 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000365189522 446071588 /nfs/dbraw/zinc/07/15/88/446071588.db2.gz CSPHMAPFAWHRSB-HNNXBMFYSA-N 2 2 349.479 1.124 20 0 EDADLP Cc1ccc(NC(=O)C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)nc1 ZINC000351533502 446134623 /nfs/dbraw/zinc/13/46/23/446134623.db2.gz AZQWVFBQJAFZBE-QGZVFWFLSA-N 2 2 346.475 1.496 20 0 EDADLP Cc1ccc(NC(=O)C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)nc1 ZINC000351533502 446134630 /nfs/dbraw/zinc/13/46/30/446134630.db2.gz AZQWVFBQJAFZBE-QGZVFWFLSA-N 2 2 346.475 1.496 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000359308955 446139714 /nfs/dbraw/zinc/13/97/14/446139714.db2.gz QMINYXVQOPYSGF-KDURUIRLSA-N 3 2 342.487 1.050 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000359308955 446139719 /nfs/dbraw/zinc/13/97/19/446139719.db2.gz QMINYXVQOPYSGF-KDURUIRLSA-N 3 2 342.487 1.050 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000354331012 446117906 /nfs/dbraw/zinc/11/79/06/446117906.db2.gz KCXZELBCBCHEET-SQNIBIBYSA-N 2 2 337.508 1.961 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000354331012 446117908 /nfs/dbraw/zinc/11/79/08/446117908.db2.gz KCXZELBCBCHEET-SQNIBIBYSA-N 2 2 337.508 1.961 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000354331012 446117912 /nfs/dbraw/zinc/11/79/12/446117912.db2.gz KCXZELBCBCHEET-SQNIBIBYSA-N 2 2 337.508 1.961 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000354331012 446117916 /nfs/dbraw/zinc/11/79/16/446117916.db2.gz KCXZELBCBCHEET-SQNIBIBYSA-N 2 2 337.508 1.961 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)c3csc(C[NH3+])n3)CC2)[nH+]c1 ZINC000366347176 446166136 /nfs/dbraw/zinc/16/61/36/446166136.db2.gz NPEUVKWIJAJCCA-UHFFFAOYSA-N 2 2 331.445 1.704 20 0 EDADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CC[C@@H]1CCC[N@H+]1C ZINC000362107029 446216413 /nfs/dbraw/zinc/21/64/13/446216413.db2.gz SCFZBZDBRZQTIC-MAUKXSAKSA-N 2 2 341.459 1.600 20 0 EDADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000362107029 446216419 /nfs/dbraw/zinc/21/64/19/446216419.db2.gz SCFZBZDBRZQTIC-MAUKXSAKSA-N 2 2 341.459 1.600 20 0 EDADLP Cn1cc[nH+]c1N1CCC(Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000365498830 446232480 /nfs/dbraw/zinc/23/24/80/446232480.db2.gz ZFDVVCYUXQALLC-UHFFFAOYSA-N 2 2 327.436 1.279 20 0 EDADLP Cn1cc[nH+]c1N1CCC(Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000365498830 446232483 /nfs/dbraw/zinc/23/24/83/446232483.db2.gz ZFDVVCYUXQALLC-UHFFFAOYSA-N 2 2 327.436 1.279 20 0 EDADLP Cc1cc(N2CCC(N(C)C(=O)CCc3c[nH+]c[nH]3)CC2)nc(C)[nH+]1 ZINC000373489697 446235367 /nfs/dbraw/zinc/23/53/67/446235367.db2.gz MGWKVDOKDMPSCQ-UHFFFAOYSA-N 2 2 342.447 1.877 20 0 EDADLP Cc1cc(N2CCC(N(C)C(=O)CCc3c[nH]c[nH+]3)CC2)nc(C)[nH+]1 ZINC000373489697 446235371 /nfs/dbraw/zinc/23/53/71/446235371.db2.gz MGWKVDOKDMPSCQ-UHFFFAOYSA-N 2 2 342.447 1.877 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@H](C)O1 ZINC000366492571 446236985 /nfs/dbraw/zinc/23/69/85/446236985.db2.gz IAHAHZALHLDEOL-OWCLPIDISA-N 2 2 349.479 1.559 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@H](C)O1 ZINC000366492571 446236990 /nfs/dbraw/zinc/23/69/90/446236990.db2.gz IAHAHZALHLDEOL-OWCLPIDISA-N 2 2 349.479 1.559 20 0 EDADLP CC[C@H](C)[C@H](OC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373505379 446241600 /nfs/dbraw/zinc/24/16/00/446241600.db2.gz ZGJDFHUDCRGLJO-UAGQMJEPSA-N 2 2 325.497 1.674 20 0 EDADLP CC[C@H](C)[C@H](OC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373505379 446241603 /nfs/dbraw/zinc/24/16/03/446241603.db2.gz ZGJDFHUDCRGLJO-UAGQMJEPSA-N 2 2 325.497 1.674 20 0 EDADLP [NH3+]CCc1nc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cs1 ZINC000373509915 446242534 /nfs/dbraw/zinc/24/25/34/446242534.db2.gz PULNXHVYTPOPII-GXTWGEPZSA-N 2 2 338.477 1.018 20 0 EDADLP CN(CCCNC(=O)[C@]1([NH+](C)C)CCc2ccccc21)CC[NH+](C)C ZINC000365670835 446294650 /nfs/dbraw/zinc/29/46/50/446294650.db2.gz FXKSJXOAYHKOTF-FQEVSTJZSA-N 2 2 346.519 1.389 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)C3CCOCC3)C2)CC1 ZINC000373525733 446248054 /nfs/dbraw/zinc/24/80/54/446248054.db2.gz ADRQSZFOISXPBY-MRXNPFEDSA-N 2 2 337.508 1.724 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)C3CCOCC3)C2)CC1 ZINC000373525733 446248058 /nfs/dbraw/zinc/24/80/58/446248058.db2.gz ADRQSZFOISXPBY-MRXNPFEDSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365589997 446264722 /nfs/dbraw/zinc/26/47/22/446264722.db2.gz WDKXCKDYWIWIAU-BZSNNMDCSA-N 2 2 337.508 1.674 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365589997 446264726 /nfs/dbraw/zinc/26/47/26/446264726.db2.gz WDKXCKDYWIWIAU-BZSNNMDCSA-N 2 2 337.508 1.674 20 0 EDADLP C[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCC1)[NH+]1CCSCC1 ZINC000366649191 446293783 /nfs/dbraw/zinc/29/37/83/446293783.db2.gz CZCOVSBWKMDHDS-OAHLLOKOSA-N 2 2 341.521 1.185 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)CCC2 ZINC000366688036 446310504 /nfs/dbraw/zinc/31/05/04/446310504.db2.gz NHOHIJQGFOMUMD-JYJNAYRXSA-N 2 2 349.479 1.477 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)[C@@H]1SC ZINC000362311848 446314942 /nfs/dbraw/zinc/31/49/42/446314942.db2.gz DWPOIDVZTHHZQL-LZWOXQAQSA-N 2 2 329.510 1.038 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1)c1ccccc1 ZINC000370601613 446351649 /nfs/dbraw/zinc/35/16/49/446351649.db2.gz KMOUHEUIANOXJI-ZWKOTPCHSA-N 2 2 341.459 1.966 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417580893 446365560 /nfs/dbraw/zinc/36/55/60/446365560.db2.gz DZXNZWKAKYPYPT-QWHCGFSZSA-N 2 2 340.418 1.823 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417580893 446365562 /nfs/dbraw/zinc/36/55/62/446365562.db2.gz DZXNZWKAKYPYPT-QWHCGFSZSA-N 2 2 340.418 1.823 20 0 EDADLP CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000365859167 446374361 /nfs/dbraw/zinc/37/43/61/446374361.db2.gz FVAMMHLXYZCNSL-APWZRJJASA-N 2 2 345.487 1.931 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000417891142 446376241 /nfs/dbraw/zinc/37/62/41/446376241.db2.gz QNVSZEHYHHMPIH-KBPBESRZSA-N 2 2 332.439 1.508 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000417891142 446376246 /nfs/dbraw/zinc/37/62/46/446376246.db2.gz QNVSZEHYHHMPIH-KBPBESRZSA-N 2 2 332.439 1.508 20 0 EDADLP O=C1CNC(=O)N1CC[NH2+][C@H]1C[C@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000370667752 446379046 /nfs/dbraw/zinc/37/90/46/446379046.db2.gz POTLHXNLSIHBME-DLBZAZTESA-N 2 2 342.443 1.181 20 0 EDADLP O=C1CNC(=O)N1CC[NH2+][C@H]1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000370667752 446379048 /nfs/dbraw/zinc/37/90/48/446379048.db2.gz POTLHXNLSIHBME-DLBZAZTESA-N 2 2 342.443 1.181 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NC3CCCC3)CC2)CC1 ZINC000370687701 446388134 /nfs/dbraw/zinc/38/81/34/446388134.db2.gz DMGIBMMGQMORDH-UHFFFAOYSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc3c2OCO3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370710664 446398248 /nfs/dbraw/zinc/39/82/48/446398248.db2.gz UPDKIEVTANZGQU-RDJZCZTQSA-N 2 2 331.460 1.873 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370710664 446398251 /nfs/dbraw/zinc/39/82/51/446398251.db2.gz UPDKIEVTANZGQU-RDJZCZTQSA-N 2 2 331.460 1.873 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000420246961 446430512 /nfs/dbraw/zinc/43/05/12/446430512.db2.gz TZMXOPFOXPLPOM-AWEZNQCLSA-N 2 2 328.391 1.775 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000420251383 446433432 /nfs/dbraw/zinc/43/34/32/446433432.db2.gz WOISEFTUXJNWAR-OAHLLOKOSA-N 2 2 346.479 1.291 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000420251383 446433438 /nfs/dbraw/zinc/43/34/38/446433438.db2.gz WOISEFTUXJNWAR-OAHLLOKOSA-N 2 2 346.479 1.291 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCC(O)(C[NH3+])CC2)nc[nH+]1 ZINC000420264613 446438192 /nfs/dbraw/zinc/43/81/92/446438192.db2.gz ARBCIAYAPKFLLS-WMLDXEAASA-N 2 2 349.479 1.382 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCC(O)(C[NH3+])CC2)[nH+]cn1 ZINC000420264613 446438199 /nfs/dbraw/zinc/43/81/99/446438199.db2.gz ARBCIAYAPKFLLS-WMLDXEAASA-N 2 2 349.479 1.382 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417991273 446410468 /nfs/dbraw/zinc/41/04/68/446410468.db2.gz LCHGPXXDBNPYPN-JSGCOSHPSA-N 2 2 330.354 1.497 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417991273 446410472 /nfs/dbraw/zinc/41/04/72/446410472.db2.gz LCHGPXXDBNPYPN-JSGCOSHPSA-N 2 2 330.354 1.497 20 0 EDADLP COCC(=O)N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411172706 446418495 /nfs/dbraw/zinc/41/84/95/446418495.db2.gz IYVKJCPIBIECLY-UHFFFAOYSA-N 2 2 345.487 1.963 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000376364744 446456301 /nfs/dbraw/zinc/45/63/01/446456301.db2.gz KRMOMWZFXHOPEV-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000376364744 446456307 /nfs/dbraw/zinc/45/63/07/446456307.db2.gz KRMOMWZFXHOPEV-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+](CC(=O)NCCc1cccc2cccnc21)CC(C)(C)C[NH3+] ZINC000420292425 446456672 /nfs/dbraw/zinc/45/66/72/446456672.db2.gz PJHNJNUZZPWXPH-UHFFFAOYSA-N 2 2 328.460 1.810 20 0 EDADLP C[N@@H+](CC(=O)NCCc1cccc2cccnc21)CC(C)(C)C[NH3+] ZINC000420292425 446456675 /nfs/dbraw/zinc/45/66/75/446456675.db2.gz PJHNJNUZZPWXPH-UHFFFAOYSA-N 2 2 328.460 1.810 20 0 EDADLP C[C@H]1C[N@H+](CCN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000420315492 446481238 /nfs/dbraw/zinc/48/12/38/446481238.db2.gz ROZYTHCDNZAIGZ-PKOBYXMFSA-N 2 2 332.492 1.746 20 0 EDADLP C[C@H]1C[N@@H+](CCN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000420315492 446481244 /nfs/dbraw/zinc/48/12/44/446481244.db2.gz ROZYTHCDNZAIGZ-PKOBYXMFSA-N 2 2 332.492 1.746 20 0 EDADLP CCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000420300562 446463558 /nfs/dbraw/zinc/46/35/58/446463558.db2.gz IAJSLOOWCLARPA-JKSUJKDBSA-N 2 2 340.489 1.637 20 0 EDADLP CCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000420300562 446463562 /nfs/dbraw/zinc/46/35/62/446463562.db2.gz IAJSLOOWCLARPA-JKSUJKDBSA-N 2 2 340.489 1.637 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420300673 446463861 /nfs/dbraw/zinc/46/38/61/446463861.db2.gz CYWQAJRNVOZFJX-IMJJTQAJSA-N 2 2 345.443 1.861 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420300673 446463862 /nfs/dbraw/zinc/46/38/62/446463862.db2.gz CYWQAJRNVOZFJX-IMJJTQAJSA-N 2 2 345.443 1.861 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000420300163 446463948 /nfs/dbraw/zinc/46/39/48/446463948.db2.gz UMWKNNATNAZXFA-SMDDNHRTSA-N 2 2 338.249 1.835 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000420300163 446463955 /nfs/dbraw/zinc/46/39/55/446463955.db2.gz UMWKNNATNAZXFA-SMDDNHRTSA-N 2 2 338.249 1.835 20 0 EDADLP C[C@H]1CN(CC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000420315492 446481253 /nfs/dbraw/zinc/48/12/53/446481253.db2.gz ROZYTHCDNZAIGZ-PKOBYXMFSA-N 2 2 332.492 1.746 20 0 EDADLP C[C@H]1CN(CC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000420315492 446481257 /nfs/dbraw/zinc/48/12/57/446481257.db2.gz ROZYTHCDNZAIGZ-PKOBYXMFSA-N 2 2 332.492 1.746 20 0 EDADLP CCC[N@H+](CC(=O)N(C)c1ccccc1C(=O)OC)C1CC[NH2+]CC1 ZINC000420316188 446481601 /nfs/dbraw/zinc/48/16/01/446481601.db2.gz LNFUOHAPGKNMTQ-UHFFFAOYSA-N 2 2 347.459 1.900 20 0 EDADLP CCC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)OC)C1CC[NH2+]CC1 ZINC000420316188 446481607 /nfs/dbraw/zinc/48/16/07/446481607.db2.gz LNFUOHAPGKNMTQ-UHFFFAOYSA-N 2 2 347.459 1.900 20 0 EDADLP [NH3+]CC[N@H+](CCO)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420311383 446476209 /nfs/dbraw/zinc/47/62/09/446476209.db2.gz RAQBQCCSHVGCNZ-SFHVURJKSA-N 2 2 347.484 1.597 20 0 EDADLP [NH3+]CC[N@@H+](CCO)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420311383 446476212 /nfs/dbraw/zinc/47/62/12/446476212.db2.gz RAQBQCCSHVGCNZ-SFHVURJKSA-N 2 2 347.484 1.597 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000420320081 446484720 /nfs/dbraw/zinc/48/47/20/446484720.db2.gz SRPQTHMXFNMPKG-OAHLLOKOSA-N 2 2 333.432 1.923 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000420320081 446484712 /nfs/dbraw/zinc/48/47/12/446484712.db2.gz SRPQTHMXFNMPKG-OAHLLOKOSA-N 2 2 333.432 1.923 20 0 EDADLP CC(=O)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420320323 446484877 /nfs/dbraw/zinc/48/48/77/446484877.db2.gz BHPWAORRTUOPPL-APWZRJJASA-N 2 2 345.443 1.656 20 0 EDADLP [NH3+]CCNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000418298222 446490589 /nfs/dbraw/zinc/49/05/89/446490589.db2.gz PKRNVPJHLWCZQF-UHFFFAOYSA-N 2 2 326.828 1.005 20 0 EDADLP c1ncn([C@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056541 446493714 /nfs/dbraw/zinc/49/37/14/446493714.db2.gz ZPVXVONYQXTLEN-RBUKOAKNSA-N 2 2 341.459 1.816 20 0 EDADLP c1ncn([C@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056541 446493716 /nfs/dbraw/zinc/49/37/16/446493716.db2.gz ZPVXVONYQXTLEN-RBUKOAKNSA-N 2 2 341.459 1.816 20 0 EDADLP c1ncn([C@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056541 446493719 /nfs/dbraw/zinc/49/37/19/446493719.db2.gz ZPVXVONYQXTLEN-RBUKOAKNSA-N 2 2 341.459 1.816 20 0 EDADLP c1ncn([C@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056541 446493725 /nfs/dbraw/zinc/49/37/25/446493725.db2.gz ZPVXVONYQXTLEN-RBUKOAKNSA-N 2 2 341.459 1.816 20 0 EDADLP CCOc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329481 446499175 /nfs/dbraw/zinc/49/91/75/446499175.db2.gz OJUJBMQCSMJDGE-OAHLLOKOSA-N 2 2 347.459 1.711 20 0 EDADLP CCOc1ccccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329481 446499176 /nfs/dbraw/zinc/49/91/76/446499176.db2.gz OJUJBMQCSMJDGE-OAHLLOKOSA-N 2 2 347.459 1.711 20 0 EDADLP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000411393313 446515981 /nfs/dbraw/zinc/51/59/81/446515981.db2.gz AODPYFHUQZRUPS-OAHLLOKOSA-N 2 2 327.432 1.594 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000420382478 446558220 /nfs/dbraw/zinc/55/82/20/446558220.db2.gz ANNOXYLNEQMLFA-INIZCTEOSA-N 2 2 349.475 1.909 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000420382478 446558224 /nfs/dbraw/zinc/55/82/24/446558224.db2.gz ANNOXYLNEQMLFA-INIZCTEOSA-N 2 2 349.475 1.909 20 0 EDADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420388059 446562318 /nfs/dbraw/zinc/56/23/18/446562318.db2.gz KUBXBSJPXGEHTM-KGLIPLIRSA-N 2 2 328.416 1.611 20 0 EDADLP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420388059 446562321 /nfs/dbraw/zinc/56/23/21/446562321.db2.gz KUBXBSJPXGEHTM-KGLIPLIRSA-N 2 2 328.416 1.611 20 0 EDADLP c1[nH]nc2c1[C@@H]([NH2+]CCC[NH+]1CCN(c3ncccn3)CC1)CCC2 ZINC000367600441 446566234 /nfs/dbraw/zinc/56/62/34/446566234.db2.gz JPNXPCQRYBVEQK-INIZCTEOSA-N 2 2 341.463 1.379 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C[C@@H]1C ZINC000423402565 446520003 /nfs/dbraw/zinc/52/00/03/446520003.db2.gz YJWUAFXKHOBHBH-XHDPSFHLSA-N 2 2 327.375 1.144 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C[C@@H]1C ZINC000423402565 446520008 /nfs/dbraw/zinc/52/00/08/446520008.db2.gz YJWUAFXKHOBHBH-XHDPSFHLSA-N 2 2 327.375 1.144 20 0 EDADLP COC[C@]1(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]C1 ZINC000423410340 446522363 /nfs/dbraw/zinc/52/23/63/446522363.db2.gz ZZTJLAQGIHBCDZ-ACJLOTCBSA-N 2 2 334.464 1.238 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418380894 446522732 /nfs/dbraw/zinc/52/27/32/446522732.db2.gz HTCNWRILQAJJLI-KBPBESRZSA-N 2 2 335.452 1.166 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)c1 ZINC000418389916 446524240 /nfs/dbraw/zinc/52/42/40/446524240.db2.gz ALZJBXAJCIGJJL-KDOFPFPSSA-N 2 2 346.475 1.821 20 0 EDADLP Cc1ccc([C@@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c2cccs2)cc1 ZINC000420352884 446532212 /nfs/dbraw/zinc/53/22/12/446532212.db2.gz MYXFNDYHGILCKK-MAUKXSAKSA-N 2 2 347.484 1.514 20 0 EDADLP Cc1ccc([C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c2cccs2)cc1 ZINC000420352884 446532216 /nfs/dbraw/zinc/53/22/16/446532216.db2.gz MYXFNDYHGILCKK-MAUKXSAKSA-N 2 2 347.484 1.514 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)[nH+]1 ZINC000411427371 446535606 /nfs/dbraw/zinc/53/56/06/446535606.db2.gz UDGSDFRQQGVKQG-WFASDCNBSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)[nH+]1 ZINC000411427371 446535612 /nfs/dbraw/zinc/53/56/12/446535612.db2.gz UDGSDFRQQGVKQG-WFASDCNBSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000370959507 446541168 /nfs/dbraw/zinc/54/11/68/446541168.db2.gz MFKOGPUUIDXYJM-QLFBSQMISA-N 2 2 331.464 1.993 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000370959507 446541172 /nfs/dbraw/zinc/54/11/72/446541172.db2.gz MFKOGPUUIDXYJM-QLFBSQMISA-N 2 2 331.464 1.993 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000420372059 446551377 /nfs/dbraw/zinc/55/13/77/446551377.db2.gz XTZQTPYERZLBMQ-CQSZACIVSA-N 2 2 341.477 1.542 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC000418627073 446620298 /nfs/dbraw/zinc/62/02/98/446620298.db2.gz MRHNNJWRWFKFOS-HOTGVXAUSA-N 2 2 348.491 1.909 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC000418627073 446620304 /nfs/dbraw/zinc/62/03/04/446620304.db2.gz MRHNNJWRWFKFOS-HOTGVXAUSA-N 2 2 348.491 1.909 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCCOc1ccc(F)cc1 ZINC000420397058 446569703 /nfs/dbraw/zinc/56/97/03/446569703.db2.gz MEGOLWGBPDBQNI-CRAIPNDOSA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCCOc1ccc(F)cc1 ZINC000420397058 446569712 /nfs/dbraw/zinc/56/97/12/446569712.db2.gz MEGOLWGBPDBQNI-CRAIPNDOSA-N 2 2 349.450 1.785 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420396707 446570455 /nfs/dbraw/zinc/57/04/55/446570455.db2.gz WDKCLPGZAKNYTL-SFHVURJKSA-N 2 2 349.475 1.355 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420396707 446570459 /nfs/dbraw/zinc/57/04/59/446570459.db2.gz WDKCLPGZAKNYTL-SFHVURJKSA-N 2 2 349.475 1.355 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)ccc1S(C)(=O)=O ZINC000423561778 446575644 /nfs/dbraw/zinc/57/56/44/446575644.db2.gz QCFSYVCDIBTRLI-GXTWGEPZSA-N 2 2 326.462 1.891 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420408259 446581604 /nfs/dbraw/zinc/58/16/04/446581604.db2.gz VZMWXKNJIRGOQJ-HKUYNNGSSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420408259 446581609 /nfs/dbraw/zinc/58/16/09/446581609.db2.gz VZMWXKNJIRGOQJ-HKUYNNGSSA-N 2 2 345.487 1.954 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H](NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578225 446585982 /nfs/dbraw/zinc/58/59/82/446585982.db2.gz UHKVAWLYTPUJBA-IEBWSBKVSA-N 3 2 330.520 1.910 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H](NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578225 446585988 /nfs/dbraw/zinc/58/59/88/446585988.db2.gz UHKVAWLYTPUJBA-IEBWSBKVSA-N 3 2 330.520 1.910 20 0 EDADLP C[N@@H+]1CCO[C@H]([C@H](NC[C@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC000423580100 446586351 /nfs/dbraw/zinc/58/63/51/446586351.db2.gz XGHMVNNIQULNBQ-IXDOHACOSA-N 2 2 339.867 1.290 20 0 EDADLP C[N@H+]1CCO[C@H]([C@H](NC[C@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC000423580100 446586355 /nfs/dbraw/zinc/58/63/55/446586355.db2.gz XGHMVNNIQULNBQ-IXDOHACOSA-N 2 2 339.867 1.290 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@@H+]1C ZINC000433811826 446601945 /nfs/dbraw/zinc/60/19/45/446601945.db2.gz SPHQWSDDQHVDJA-JKSUJKDBSA-N 2 2 333.480 1.604 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@H+]1C ZINC000433811826 446601950 /nfs/dbraw/zinc/60/19/50/446601950.db2.gz SPHQWSDDQHVDJA-JKSUJKDBSA-N 2 2 333.480 1.604 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000418676703 446645807 /nfs/dbraw/zinc/64/58/07/446645807.db2.gz ZEFVNCKFGXHGDP-JYJNAYRXSA-N 2 2 326.485 1.162 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000418676703 446645811 /nfs/dbraw/zinc/64/58/11/446645811.db2.gz ZEFVNCKFGXHGDP-JYJNAYRXSA-N 2 2 326.485 1.162 20 0 EDADLP Cn1cccc1C(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375234185 446661106 /nfs/dbraw/zinc/66/11/06/446661106.db2.gz POFIBWDPVLDXJF-UHFFFAOYSA-N 2 2 332.492 1.557 20 0 EDADLP Cn1cccc1C(=O)C[NH+]1CCC(C)(CN2CC[NH+](C)CC2)CC1 ZINC000375234185 446661109 /nfs/dbraw/zinc/66/11/09/446661109.db2.gz POFIBWDPVLDXJF-UHFFFAOYSA-N 2 2 332.492 1.557 20 0 EDADLP Cc1cccc2ncc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3c[nH+]cn3C)n21 ZINC000375251261 446672200 /nfs/dbraw/zinc/67/22/00/446672200.db2.gz ZXXBCPNSWHYQGT-RDTXWAMCSA-N 2 2 338.415 1.486 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000368156033 446674111 /nfs/dbraw/zinc/67/41/11/446674111.db2.gz SXGYMKXKXUTHJR-KRWDZBQOSA-N 2 2 338.496 1.271 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000368156033 446674114 /nfs/dbraw/zinc/67/41/14/446674114.db2.gz SXGYMKXKXUTHJR-KRWDZBQOSA-N 2 2 338.496 1.271 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375256995 446674605 /nfs/dbraw/zinc/67/46/05/446674605.db2.gz CHLOMZZVTLDGDL-HZPDHXFCSA-N 2 2 334.464 1.238 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375256995 446674614 /nfs/dbraw/zinc/67/46/14/446674614.db2.gz CHLOMZZVTLDGDL-HZPDHXFCSA-N 2 2 334.464 1.238 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H](C)O1 ZINC000423762818 446691572 /nfs/dbraw/zinc/69/15/72/446691572.db2.gz OOYRRKJFPUUVQU-DAYGRLMNSA-N 2 2 331.460 1.269 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H](C)O1 ZINC000423762818 446691577 /nfs/dbraw/zinc/69/15/77/446691577.db2.gz OOYRRKJFPUUVQU-DAYGRLMNSA-N 2 2 331.460 1.269 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000368200264 446705129 /nfs/dbraw/zinc/70/51/29/446705129.db2.gz CGQLTNFIXVSWBE-KBMXLJTQSA-N 2 2 335.452 1.109 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000368200264 446705132 /nfs/dbraw/zinc/70/51/32/446705132.db2.gz CGQLTNFIXVSWBE-KBMXLJTQSA-N 2 2 335.452 1.109 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000423822465 446711880 /nfs/dbraw/zinc/71/18/80/446711880.db2.gz IRGFTJKVZGFVRG-ISTRZQFTSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000423822465 446711885 /nfs/dbraw/zinc/71/18/85/446711885.db2.gz IRGFTJKVZGFVRG-ISTRZQFTSA-N 2 2 339.386 1.205 20 0 EDADLP O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000423847593 446730543 /nfs/dbraw/zinc/73/05/43/446730543.db2.gz QKSPOXGPORFJET-AWEZNQCLSA-N 2 2 336.399 1.807 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)CC2 ZINC000423748303 446678168 /nfs/dbraw/zinc/67/81/68/446678168.db2.gz RGGDSMRUAPVVIJ-CJNGLKHVSA-N 2 2 347.459 1.306 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)CC2 ZINC000423748303 446678178 /nfs/dbraw/zinc/67/81/78/446678178.db2.gz RGGDSMRUAPVVIJ-CJNGLKHVSA-N 2 2 347.459 1.306 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000371287518 446746359 /nfs/dbraw/zinc/74/63/59/446746359.db2.gz PMJVEZCZVOODEJ-ZWKOTPCHSA-N 2 2 340.427 1.855 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000371287518 446746366 /nfs/dbraw/zinc/74/63/66/446746366.db2.gz PMJVEZCZVOODEJ-ZWKOTPCHSA-N 2 2 340.427 1.855 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294636 446749780 /nfs/dbraw/zinc/74/97/80/446749780.db2.gz MDHLFEWKLHIGHY-GUDVDZBRSA-N 2 2 345.487 1.829 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294636 446749786 /nfs/dbraw/zinc/74/97/86/446749786.db2.gz MDHLFEWKLHIGHY-GUDVDZBRSA-N 2 2 345.487 1.829 20 0 EDADLP Cc1csc(=O)n1CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300320 446756010 /nfs/dbraw/zinc/75/60/10/446756010.db2.gz OGSHDXIDMDPEBP-SOUVJXGZSA-N 2 2 325.478 1.402 20 0 EDADLP Cc1csc(=O)n1CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300320 446756017 /nfs/dbraw/zinc/75/60/17/446756017.db2.gz OGSHDXIDMDPEBP-SOUVJXGZSA-N 2 2 325.478 1.402 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCCCC1 ZINC000368307563 446776056 /nfs/dbraw/zinc/77/60/56/446776056.db2.gz LDYDIUJBDQNALZ-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCCCC1 ZINC000368307563 446776067 /nfs/dbraw/zinc/77/60/67/446776067.db2.gz LDYDIUJBDQNALZ-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000376886860 446777410 /nfs/dbraw/zinc/77/74/10/446777410.db2.gz JRYIFUUYKMTBIU-VQIMIIECSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000376886860 446777415 /nfs/dbraw/zinc/77/74/15/446777415.db2.gz JRYIFUUYKMTBIU-VQIMIIECSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376886860 446777421 /nfs/dbraw/zinc/77/74/21/446777421.db2.gz JRYIFUUYKMTBIU-VQIMIIECSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376886860 446777426 /nfs/dbraw/zinc/77/74/26/446777426.db2.gz JRYIFUUYKMTBIU-VQIMIIECSA-N 2 2 349.519 1.963 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000423930355 446781666 /nfs/dbraw/zinc/78/16/66/446781666.db2.gz VUMGNESFNJRSTO-IHRRRGAJSA-N 2 2 340.468 1.432 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000423930355 446781674 /nfs/dbraw/zinc/78/16/74/446781674.db2.gz VUMGNESFNJRSTO-IHRRRGAJSA-N 2 2 340.468 1.432 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000423884819 446741441 /nfs/dbraw/zinc/74/14/41/446741441.db2.gz YSRDHLBRSHLIIN-QZTJIDSGSA-N 2 2 331.460 1.646 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000423884819 446741446 /nfs/dbraw/zinc/74/14/46/446741446.db2.gz YSRDHLBRSHLIIN-QZTJIDSGSA-N 2 2 331.460 1.646 20 0 EDADLP Cc1cc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nc(-c2ccncc2)[nH+]1 ZINC000371285116 446743196 /nfs/dbraw/zinc/74/31/96/446743196.db2.gz XKGCEWREAZSYFE-DLBZAZTESA-N 2 2 339.443 1.934 20 0 EDADLP Cc1cc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)nc(-c2ccncc2)[nH+]1 ZINC000371285116 446743203 /nfs/dbraw/zinc/74/32/03/446743203.db2.gz XKGCEWREAZSYFE-DLBZAZTESA-N 2 2 339.443 1.934 20 0 EDADLP C[N@H+](CCCOC(=O)NC(N)=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371394068 446829237 /nfs/dbraw/zinc/82/92/37/446829237.db2.gz WMQLZGGQEIOBEF-UHFFFAOYSA-N 2 2 349.435 1.173 20 0 EDADLP C[N@@H+](CCCOC(=O)NC(N)=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371394068 446829244 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/nfs/dbraw/zinc/06/25/34/447062534.db2.gz HIDGGUOYDJDJHT-JKSUJKDBSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH+]cn1 ZINC000413198074 447062538 /nfs/dbraw/zinc/06/25/38/447062538.db2.gz HIDGGUOYDJDJHT-JKSUJKDBSA-N 2 2 349.479 1.351 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375877937 447116477 /nfs/dbraw/zinc/11/64/77/447116477.db2.gz UGURWMHMKZKCKT-ZBFHGGJFSA-N 2 2 336.480 1.382 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375877937 447116485 /nfs/dbraw/zinc/11/64/85/447116485.db2.gz UGURWMHMKZKCKT-ZBFHGGJFSA-N 2 2 336.480 1.382 20 0 EDADLP CCc1noc(C)c1C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000375877937 447116492 /nfs/dbraw/zinc/11/64/92/447116492.db2.gz UGURWMHMKZKCKT-ZBFHGGJFSA-N 2 2 336.480 1.382 20 0 EDADLP CCc1noc(C)c1C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000375877937 447116498 /nfs/dbraw/zinc/11/64/98/447116498.db2.gz UGURWMHMKZKCKT-ZBFHGGJFSA-N 2 2 336.480 1.382 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000375815131 447073134 /nfs/dbraw/zinc/07/31/34/447073134.db2.gz OLYGZPSINYTNQN-CQSZACIVSA-N 2 2 333.436 1.585 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000375815131 447073140 /nfs/dbraw/zinc/07/31/40/447073140.db2.gz OLYGZPSINYTNQN-CQSZACIVSA-N 2 2 333.436 1.585 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)on1 ZINC000372477627 447075159 /nfs/dbraw/zinc/07/51/59/447075159.db2.gz HWUWEOBQHNZLDT-BPLDGKMQSA-N 2 2 336.436 1.401 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)on1 ZINC000372477627 447075169 /nfs/dbraw/zinc/07/51/69/447075169.db2.gz HWUWEOBQHNZLDT-BPLDGKMQSA-N 2 2 336.436 1.401 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNc1nc(N[C@@H]3CCCOC3)cc[nH+]1)CCC2 ZINC000372571185 447150633 /nfs/dbraw/zinc/15/06/33/447150633.db2.gz OJIJMBRWUPUMMT-LSDHHAIUSA-N 2 2 342.447 2.562 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)n1C ZINC000425369067 447129922 /nfs/dbraw/zinc/12/99/22/447129922.db2.gz LBLSTBJRRGWWDH-HNNXBMFYSA-N 2 2 325.420 1.526 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000372696694 447229808 /nfs/dbraw/zinc/22/98/08/447229808.db2.gz XONSDPRXETXHHF-HZPDHXFCSA-N 2 2 349.479 1.340 20 0 EDADLP C[C@@H]1C[N@H+](CC2CCN(C(=O)NCc3[nH+]ccn3C)CC2)C[C@H](C)O1 ZINC000368981170 447244351 /nfs/dbraw/zinc/24/43/51/447244351.db2.gz QJDSAPBZHPFVQC-GASCZTMLSA-N 2 2 349.479 1.451 20 0 EDADLP Cc1c(Cl)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000421772209 447246062 /nfs/dbraw/zinc/24/60/62/447246062.db2.gz NKHVUDHDVDKDEW-UHFFFAOYSA-N 2 2 341.887 1.480 20 0 EDADLP Cc1c(Cl)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000421772209 447246067 /nfs/dbraw/zinc/24/60/67/447246067.db2.gz NKHVUDHDVDKDEW-UHFFFAOYSA-N 2 2 341.887 1.480 20 0 EDADLP C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000377693962 447298555 /nfs/dbraw/zinc/29/85/55/447298555.db2.gz CQITUMZMTJVJPI-ROUUACIJSA-N 2 2 346.475 1.236 20 0 EDADLP CCc1cc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)cc[nH+]1 ZINC000450316518 447452006 /nfs/dbraw/zinc/45/20/06/447452006.db2.gz RBHQLKRUQOTYQQ-UHFFFAOYSA-N 2 2 339.443 1.775 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811486 447479358 /nfs/dbraw/zinc/47/93/58/447479358.db2.gz OVVUAQDSHBMZFA-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811486 447479361 /nfs/dbraw/zinc/47/93/61/447479361.db2.gz OVVUAQDSHBMZFA-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811486 447479367 /nfs/dbraw/zinc/47/93/67/447479367.db2.gz OVVUAQDSHBMZFA-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811486 447479373 /nfs/dbraw/zinc/47/93/73/447479373.db2.gz OVVUAQDSHBMZFA-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495610389 447522542 /nfs/dbraw/zinc/52/25/42/447522542.db2.gz HPFKVTDTAGGPPO-HOTGVXAUSA-N 2 2 340.512 1.564 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495610389 447522551 /nfs/dbraw/zinc/52/25/51/447522551.db2.gz HPFKVTDTAGGPPO-HOTGVXAUSA-N 2 2 340.512 1.564 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000456883515 447473764 /nfs/dbraw/zinc/47/37/64/447473764.db2.gz QJPQIWUQZZYZBX-OAHLLOKOSA-N 2 2 326.529 1.685 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079159 447475103 /nfs/dbraw/zinc/47/51/03/447475103.db2.gz MTTPZFALFLSXDL-HOTGVXAUSA-N 2 2 348.495 1.603 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079159 447475110 /nfs/dbraw/zinc/47/51/10/447475110.db2.gz MTTPZFALFLSXDL-HOTGVXAUSA-N 2 2 348.495 1.603 20 0 EDADLP CC[N@H+](CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1)CCC(F)(F)F ZINC000427284540 447575474 /nfs/dbraw/zinc/57/54/74/447575474.db2.gz NSAPWVOYBPQOJJ-CYBMUJFWSA-N 2 2 338.418 1.013 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1)CCC(F)(F)F ZINC000427284540 447575477 /nfs/dbraw/zinc/57/54/77/447575477.db2.gz NSAPWVOYBPQOJJ-CYBMUJFWSA-N 2 2 338.418 1.013 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000416298382 447560312 /nfs/dbraw/zinc/56/03/12/447560312.db2.gz QSHHYMQARZCUGS-BRWVUGGUSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000416298382 447560319 /nfs/dbraw/zinc/56/03/19/447560319.db2.gz QSHHYMQARZCUGS-BRWVUGGUSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000416298382 447560329 /nfs/dbraw/zinc/56/03/29/447560329.db2.gz QSHHYMQARZCUGS-BRWVUGGUSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000416298382 447560337 /nfs/dbraw/zinc/56/03/37/447560337.db2.gz QSHHYMQARZCUGS-BRWVUGGUSA-N 2 2 333.476 1.420 20 0 EDADLP CC(C)c1nc(N(C)CC(=O)N2CC[NH2+]CC2)cc(C(C)(C)C)[nH+]1 ZINC000420151660 447640426 /nfs/dbraw/zinc/64/04/26/447640426.db2.gz NKPOYEYMYBFZHZ-UHFFFAOYSA-N 2 2 333.480 1.766 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404300916 447597484 /nfs/dbraw/zinc/59/74/84/447597484.db2.gz ZIQIBUJJNXXLOR-WCQYABFASA-N 2 2 339.461 1.923 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404300916 447597490 /nfs/dbraw/zinc/59/74/90/447597490.db2.gz ZIQIBUJJNXXLOR-WCQYABFASA-N 2 2 339.461 1.923 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1CCC(O)(C(N)=O)CC1 ZINC000450924387 447621144 /nfs/dbraw/zinc/62/11/44/447621144.db2.gz MOGWNGOGDQFURT-UHFFFAOYSA-N 2 2 344.459 1.827 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)S(C)(=O)=O ZINC000450928601 447621978 /nfs/dbraw/zinc/62/19/78/447621978.db2.gz RZWAKHAPRIJJDN-ZIAGYGMSSA-N 2 2 325.478 1.832 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)S(C)(=O)=O ZINC000450928601 447621983 /nfs/dbraw/zinc/62/19/83/447621983.db2.gz RZWAKHAPRIJJDN-ZIAGYGMSSA-N 2 2 325.478 1.832 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000416882696 447700539 /nfs/dbraw/zinc/70/05/39/447700539.db2.gz IMZVWVQKOCWFFT-IAGOWNOFSA-N 2 2 332.448 1.111 20 0 EDADLP CC[N@H+](CCCNC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000416871325 447700660 /nfs/dbraw/zinc/70/06/60/447700660.db2.gz JRLHFFVBQKRFQP-KRWDZBQOSA-N 2 2 333.480 1.106 20 0 EDADLP CC[N@@H+](CCCNC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000416871325 447700664 /nfs/dbraw/zinc/70/06/64/447700664.db2.gz JRLHFFVBQKRFQP-KRWDZBQOSA-N 2 2 333.480 1.106 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459408674 447654825 /nfs/dbraw/zinc/65/48/25/447654825.db2.gz XRAWXNTVVWLHFJ-INIZCTEOSA-N 2 2 331.464 1.386 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459408674 447654832 /nfs/dbraw/zinc/65/48/32/447654832.db2.gz XRAWXNTVVWLHFJ-INIZCTEOSA-N 2 2 331.464 1.386 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000420176019 447655365 /nfs/dbraw/zinc/65/53/65/447655365.db2.gz WCVYMBZDNYWFLY-OAHLLOKOSA-N 2 2 349.479 1.016 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NC(C)(C)CC[NH3+])[NH+]2CCOCC2)c1 ZINC000422593383 447660780 /nfs/dbraw/zinc/66/07/80/447660780.db2.gz PWSDKCWYDDHRMA-KRWDZBQOSA-N 2 2 348.491 1.795 20 0 EDADLP c1nc(N2CCSCC2)cc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]1 ZINC000420221874 447676720 /nfs/dbraw/zinc/67/67/20/447676720.db2.gz USYKAGJWZZJXJZ-OAHLLOKOSA-N 2 2 333.505 1.998 20 0 EDADLP c1nc(N2CCC([C@H]3CCC[NH2+]3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000420221874 447676725 /nfs/dbraw/zinc/67/67/25/447676725.db2.gz USYKAGJWZZJXJZ-OAHLLOKOSA-N 2 2 333.505 1.998 20 0 EDADLP Cc1ccc(C(=O)NCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1F ZINC000422833466 447763736 /nfs/dbraw/zinc/76/37/36/447763736.db2.gz WBQUQWGEMZAIOD-IAGOWNOFSA-N 2 2 335.423 1.221 20 0 EDADLP CC[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422697160 447718933 /nfs/dbraw/zinc/71/89/33/447718933.db2.gz UBRBETZFKHOWDS-DLBZAZTESA-N 2 2 332.496 1.109 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000496184202 447736147 /nfs/dbraw/zinc/73/61/47/447736147.db2.gz CBOIAYITTNGQHL-HUUCEWRRSA-N 2 2 329.485 1.678 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000496184202 447736151 /nfs/dbraw/zinc/73/61/51/447736151.db2.gz CBOIAYITTNGQHL-HUUCEWRRSA-N 2 2 329.485 1.678 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000496184202 447736157 /nfs/dbraw/zinc/73/61/57/447736157.db2.gz CBOIAYITTNGQHL-HUUCEWRRSA-N 2 2 329.485 1.678 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000496184202 447736160 /nfs/dbraw/zinc/73/61/60/447736160.db2.gz CBOIAYITTNGQHL-HUUCEWRRSA-N 2 2 329.485 1.678 20 0 EDADLP C[C@H]1CCSCC[N@@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496188382 447738952 /nfs/dbraw/zinc/73/89/52/447738952.db2.gz UPRCYMLTDCVHJE-BBRMVZONSA-N 2 2 325.478 1.688 20 0 EDADLP C[C@H]1CCSCC[N@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496188382 447738954 /nfs/dbraw/zinc/73/89/54/447738954.db2.gz UPRCYMLTDCVHJE-BBRMVZONSA-N 2 2 325.478 1.688 20 0 EDADLP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000422766909 447744027 /nfs/dbraw/zinc/74/40/27/447744027.db2.gz QKEFIOOIYXPTHH-WMLDXEAASA-N 2 2 333.476 1.650 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCN[C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000422766909 447744030 /nfs/dbraw/zinc/74/40/30/447744030.db2.gz QKEFIOOIYXPTHH-WMLDXEAASA-N 2 2 333.476 1.650 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCN[C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000422766909 447744032 /nfs/dbraw/zinc/74/40/32/447744032.db2.gz QKEFIOOIYXPTHH-WMLDXEAASA-N 2 2 333.476 1.650 20 0 EDADLP [NH3+][C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000422771318 447746025 /nfs/dbraw/zinc/74/60/25/447746025.db2.gz XXWPQWAWGCEACQ-SJORKVTESA-N 2 2 331.441 1.699 20 0 EDADLP CCOC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000459711048 447749058 /nfs/dbraw/zinc/74/90/58/447749058.db2.gz LUPSLHSXUQLTCD-KRWDZBQOSA-N 2 2 349.475 1.815 20 0 EDADLP CCOC[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000459711048 447749060 /nfs/dbraw/zinc/74/90/60/447749060.db2.gz LUPSLHSXUQLTCD-KRWDZBQOSA-N 2 2 349.475 1.815 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)CC2 ZINC000422823147 447760935 /nfs/dbraw/zinc/76/09/35/447760935.db2.gz LHPVFUGCDVMXLJ-OKILXGFUSA-N 2 2 347.459 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)CC2 ZINC000422823147 447760938 /nfs/dbraw/zinc/76/09/38/447760938.db2.gz LHPVFUGCDVMXLJ-OKILXGFUSA-N 2 2 347.459 1.271 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000422829738 447762846 /nfs/dbraw/zinc/76/28/46/447762846.db2.gz HVGDJSTWROLPRN-IAGOWNOFSA-N 2 2 328.416 1.315 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000458319126 447768340 /nfs/dbraw/zinc/76/83/40/447768340.db2.gz UWUUIKWXWUANHG-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c(C)c1 ZINC000430560101 447779010 /nfs/dbraw/zinc/77/90/10/447779010.db2.gz ZCBBDUZXGLMJIA-UHFFFAOYSA-N 2 2 348.491 1.583 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c(C)c1 ZINC000430560101 447779013 /nfs/dbraw/zinc/77/90/13/447779013.db2.gz ZCBBDUZXGLMJIA-UHFFFAOYSA-N 2 2 348.491 1.583 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)[NH+]1CCSCC1 ZINC000430712727 447784088 /nfs/dbraw/zinc/78/40/88/447784088.db2.gz IELXCLKETGLBGU-LSDHHAIUSA-N 2 2 348.516 1.973 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[N@@H+]1CCc2ccccc2C1 ZINC000422969596 447784087 /nfs/dbraw/zinc/78/40/87/447784087.db2.gz USRFNTDCVPGUQN-IVAOSVALSA-N 3 2 343.515 1.916 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[N@H+]1CCc2ccccc2C1 ZINC000422969596 447784089 /nfs/dbraw/zinc/78/40/89/447784089.db2.gz USRFNTDCVPGUQN-IVAOSVALSA-N 3 2 343.515 1.916 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000430783984 447785111 /nfs/dbraw/zinc/78/51/11/447785111.db2.gz GKLWESPWVFBCHH-BXUZGUMPSA-N 2 2 327.375 1.062 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@H](CC)[C@@H]3CCCC[NH2+]3)C2)nc1 ZINC000423037714 447796019 /nfs/dbraw/zinc/79/60/19/447796019.db2.gz WURAOHFBIJTSSW-SJORKVTESA-N 2 2 346.475 1.957 20 0 EDADLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]1 ZINC000423102716 447805365 /nfs/dbraw/zinc/80/53/65/447805365.db2.gz OQGIQWMRFNDAFL-GWCFXTLKSA-N 2 2 349.859 1.488 20 0 EDADLP COC1CCN(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000471660047 447808559 /nfs/dbraw/zinc/80/85/59/447808559.db2.gz VMZBUQGILNBMET-HNNXBMFYSA-N 2 2 338.496 1.318 20 0 EDADLP COC1CCN(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000471660047 447808564 /nfs/dbraw/zinc/80/85/64/447808564.db2.gz VMZBUQGILNBMET-HNNXBMFYSA-N 2 2 338.496 1.318 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@H](n3cccn3)C1)C[NH+]1CCC2CC1 ZINC000496638343 447838494 /nfs/dbraw/zinc/83/84/94/447838494.db2.gz CEVRTLYDEOKSIN-NVXWUHKLSA-N 2 2 331.420 1.004 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CC[C@@H](n3cccn3)C1)C[NH+]1CCC2CC1 ZINC000496638343 447838495 /nfs/dbraw/zinc/83/84/95/447838495.db2.gz CEVRTLYDEOKSIN-NVXWUHKLSA-N 2 2 331.420 1.004 20 0 EDADLP CC[NH2+]CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496753734 447883211 /nfs/dbraw/zinc/88/32/11/447883211.db2.gz ODGQPCYIQLZZMX-RDJZCZTQSA-N 2 2 335.448 1.612 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)[nH+]c12 ZINC000523697712 447902112 /nfs/dbraw/zinc/90/21/12/447902112.db2.gz MRIDFCOWIPZLHQ-HNNXBMFYSA-N 2 2 343.475 1.185 20 0 EDADLP O=C(NC1CC[NH+](C2CCC2)CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000569905158 447913379 /nfs/dbraw/zinc/91/33/79/447913379.db2.gz NRAJLKMHJTXYEB-UHFFFAOYSA-N 2 2 346.479 1.254 20 0 EDADLP Cn1cc(-c2ncc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cn2)cn1 ZINC000570128225 447948816 /nfs/dbraw/zinc/94/88/16/447948816.db2.gz AKPZTFWOBPFBCA-SJPCQFCGSA-N 2 2 326.448 1.934 20 0 EDADLP Cn1cc(-c2ncc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cn2)cn1 ZINC000570128225 447948817 /nfs/dbraw/zinc/94/88/17/447948817.db2.gz AKPZTFWOBPFBCA-SJPCQFCGSA-N 2 2 326.448 1.934 20 0 EDADLP Cn1cc(-c2ncc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cn2)cn1 ZINC000570128225 447948820 /nfs/dbraw/zinc/94/88/20/447948820.db2.gz AKPZTFWOBPFBCA-SJPCQFCGSA-N 2 2 326.448 1.934 20 0 EDADLP Cn1cc(-c2ncc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cn2)cn1 ZINC000570128225 447948822 /nfs/dbraw/zinc/94/88/22/447948822.db2.gz AKPZTFWOBPFBCA-SJPCQFCGSA-N 2 2 326.448 1.934 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCOC[C@@H]3CCCO3)c2cc1C ZINC000570155694 447955316 /nfs/dbraw/zinc/95/53/16/447955316.db2.gz PDRLVOGQIMUIMN-SJORKVTESA-N 2 2 347.459 1.799 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000576050049 447960173 /nfs/dbraw/zinc/96/01/73/447960173.db2.gz XKHNKYUATZNAKC-QFBILLFUSA-N 2 2 335.492 1.877 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000576050049 447960176 /nfs/dbraw/zinc/96/01/76/447960176.db2.gz XKHNKYUATZNAKC-QFBILLFUSA-N 2 2 335.492 1.877 20 0 EDADLP Cc1cnn([C@@H]2CC[N@H+](CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)C2)c1 ZINC000496863945 447981520 /nfs/dbraw/zinc/98/15/20/447981520.db2.gz MXQSNXCHHYFDCW-SJLPKXTDSA-N 2 2 345.447 1.312 20 0 EDADLP Cc1cnn([C@@H]2CC[N@@H+](CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)C2)c1 ZINC000496863945 447981526 /nfs/dbraw/zinc/98/15/26/447981526.db2.gz MXQSNXCHHYFDCW-SJLPKXTDSA-N 2 2 345.447 1.312 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000576135238 447982647 /nfs/dbraw/zinc/98/26/47/447982647.db2.gz YNFUCODMQNYVBQ-GINYUPMKSA-N 2 2 344.459 1.015 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1C ZINC000570410649 448007573 /nfs/dbraw/zinc/00/75/73/448007573.db2.gz HDYWRJSCRPFWHO-SFHVURJKSA-N 3 2 328.460 1.975 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)n1C ZINC000570410649 448007578 /nfs/dbraw/zinc/00/75/78/448007578.db2.gz HDYWRJSCRPFWHO-SFHVURJKSA-N 3 2 328.460 1.975 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC[S@](=O)c3ccccc3)C2)CC1 ZINC000525684480 448011342 /nfs/dbraw/zinc/01/13/42/448011342.db2.gz RSVSRURCBISOIN-UUOWRZLLSA-N 2 2 349.544 1.895 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC[S@](=O)c3ccccc3)C2)CC1 ZINC000525684480 448011345 /nfs/dbraw/zinc/01/13/45/448011345.db2.gz RSVSRURCBISOIN-UUOWRZLLSA-N 2 2 349.544 1.895 20 0 EDADLP COC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000576254538 448011943 /nfs/dbraw/zinc/01/19/43/448011943.db2.gz MEWRDEOSPAZOKN-HUUCEWRRSA-N 2 2 340.855 1.312 20 0 EDADLP COC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000576254538 448011950 /nfs/dbraw/zinc/01/19/50/448011950.db2.gz MEWRDEOSPAZOKN-HUUCEWRRSA-N 2 2 340.855 1.312 20 0 EDADLP Cc1cc(NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nc[nH+]1 ZINC000491526820 448054296 /nfs/dbraw/zinc/05/42/96/448054296.db2.gz CYCXMMRULUYMTC-UHFFFAOYSA-N 2 2 335.452 2.140 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH+](C4CCOCC4)CC3)[nH+]c12 ZINC000531092088 448017047 /nfs/dbraw/zinc/01/70/47/448017047.db2.gz VYQVYCPAAFFXDO-UHFFFAOYSA-N 2 2 342.443 1.508 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000576526829 448076153 /nfs/dbraw/zinc/07/61/53/448076153.db2.gz JMNJLFWGKOAEHG-RISCZKNCSA-N 2 2 325.840 1.776 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000576526829 448076159 /nfs/dbraw/zinc/07/61/59/448076159.db2.gz JMNJLFWGKOAEHG-RISCZKNCSA-N 2 2 325.840 1.776 20 0 EDADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c2cnn[nH]2)cc1 ZINC000576626976 448099875 /nfs/dbraw/zinc/09/98/75/448099875.db2.gz WDPGEVHAFZMWQK-FZMZJTMJSA-N 2 2 325.338 1.868 20 0 EDADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c2cn[nH]n2)cc1 ZINC000576626976 448099879 /nfs/dbraw/zinc/09/98/79/448099879.db2.gz WDPGEVHAFZMWQK-FZMZJTMJSA-N 2 2 325.338 1.868 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000571295647 448130556 /nfs/dbraw/zinc/13/05/56/448130556.db2.gz MDXZZDCRPWZNRF-KRWDZBQOSA-N 2 2 345.491 1.639 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000571295647 448130557 /nfs/dbraw/zinc/13/05/57/448130557.db2.gz MDXZZDCRPWZNRF-KRWDZBQOSA-N 2 2 345.491 1.639 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000576829466 448150418 /nfs/dbraw/zinc/15/04/18/448150418.db2.gz BICAFLLBPMXWBX-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000571414246 448150428 /nfs/dbraw/zinc/15/04/28/448150428.db2.gz JRPVAOYNCPNOJY-BBWFWOEESA-N 2 2 339.524 1.989 20 0 EDADLP C[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000514720923 448191886 /nfs/dbraw/zinc/19/18/86/448191886.db2.gz NXZUYRUPPGBSNM-IEBWSBKVSA-N 2 2 346.475 1.268 20 0 EDADLP C[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000514720923 448191889 /nfs/dbraw/zinc/19/18/89/448191889.db2.gz NXZUYRUPPGBSNM-IEBWSBKVSA-N 2 2 346.475 1.268 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC3([NH+](C)C)CCC3)nc[nH+]2)C1 ZINC000514781188 448201696 /nfs/dbraw/zinc/20/16/96/448201696.db2.gz UKTCFYBIUOCAFS-LSDHHAIUSA-N 2 2 333.480 1.604 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000571772499 448204023 /nfs/dbraw/zinc/20/40/23/448204023.db2.gz ACTPLNSWULMAHA-QWHCGFSZSA-N 2 2 332.473 1.767 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000571772499 448204028 /nfs/dbraw/zinc/20/40/28/448204028.db2.gz ACTPLNSWULMAHA-QWHCGFSZSA-N 2 2 332.473 1.767 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000532133815 448205947 /nfs/dbraw/zinc/20/59/47/448205947.db2.gz LRIIMQGRZNLFIU-UHFFFAOYSA-N 2 2 344.463 1.161 20 0 EDADLP CSC[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000571790204 448206618 /nfs/dbraw/zinc/20/66/18/448206618.db2.gz CKTKCMNHMBCHSF-SFHVURJKSA-N 2 2 337.533 1.821 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nn2)CC12CCOCC2 ZINC000571524361 448166180 /nfs/dbraw/zinc/16/61/80/448166180.db2.gz YFYFKNKINIRIKZ-OAHLLOKOSA-N 2 2 327.432 1.455 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nn2)CC12CCOCC2 ZINC000571524361 448166184 /nfs/dbraw/zinc/16/61/84/448166184.db2.gz YFYFKNKINIRIKZ-OAHLLOKOSA-N 2 2 327.432 1.455 20 0 EDADLP CN(c1nc(NCCO)c2ccccc2[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000561384430 448236887 /nfs/dbraw/zinc/23/68/87/448236887.db2.gz MJXWYELVBSRSFM-YIONKMFJSA-N 2 2 341.459 2.095 20 0 EDADLP CN(c1nc(NCCO)c2ccccc2[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000561384430 448236890 /nfs/dbraw/zinc/23/68/90/448236890.db2.gz MJXWYELVBSRSFM-YIONKMFJSA-N 2 2 341.459 2.095 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@H]3C)ccc2n1C ZINC000527375478 448220453 /nfs/dbraw/zinc/22/04/53/448220453.db2.gz YBZWJEMBRNFZEC-GFCCVEGCSA-N 2 2 343.431 1.373 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@H+](C)CC[C@H]3C)ccc2n1C ZINC000527375478 448220458 /nfs/dbraw/zinc/22/04/58/448220458.db2.gz YBZWJEMBRNFZEC-GFCCVEGCSA-N 2 2 343.431 1.373 20 0 EDADLP COC[C@@]1(CNC(=O)NCc2cn3cc(C)ccc3[nH+]2)CCC[NH2+]1 ZINC000515003737 448240496 /nfs/dbraw/zinc/24/04/96/448240496.db2.gz HPRGEJGKOAPRBD-KRWDZBQOSA-N 2 2 331.420 1.211 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NC1CC[NH+](Cc2ccccn2)CC1 ZINC000577231486 448244412 /nfs/dbraw/zinc/24/44/12/448244412.db2.gz LSSGPZYHLPVBCU-UHFFFAOYSA-N 2 2 338.419 1.417 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)CC(F)(F)C[NH3+])c1cccc(F)c1 ZINC000582493896 448254125 /nfs/dbraw/zinc/25/41/25/448254125.db2.gz BXQWSMNAJVJBRI-ZDUSSCGKSA-N 2 2 326.322 1.749 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000577283431 448256807 /nfs/dbraw/zinc/25/68/07/448256807.db2.gz XCVCESZLBHMEJA-GOSISDBHSA-N 2 2 344.503 1.703 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532441973 448261121 /nfs/dbraw/zinc/26/11/21/448261121.db2.gz SPQAEHUXKHPWRG-BRWVUGGUSA-N 3 2 336.549 1.966 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000492696143 448261725 /nfs/dbraw/zinc/26/17/25/448261725.db2.gz MEUXWHSWPHTVKM-MRXNPFEDSA-N 2 2 340.512 1.565 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)n1cc[nH+]c1 ZINC000577519092 448319911 /nfs/dbraw/zinc/31/99/11/448319911.db2.gz AYBVZZMBNMOVAZ-INIZCTEOSA-N 2 2 333.480 1.320 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000515811011 448353344 /nfs/dbraw/zinc/35/33/44/448353344.db2.gz QRNFMQQPXHFWSW-QAPCUYQASA-N 2 2 349.479 1.908 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCc2[nH+]ccn2C)cc1 ZINC000527768223 448356439 /nfs/dbraw/zinc/35/64/39/448356439.db2.gz IZMJTYYTIALXIK-OAHLLOKOSA-N 2 2 343.431 1.502 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCc2[nH+]ccn2C)cc1 ZINC000527768223 448356443 /nfs/dbraw/zinc/35/64/43/448356443.db2.gz IZMJTYYTIALXIK-OAHLLOKOSA-N 2 2 343.431 1.502 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000527830095 448370714 /nfs/dbraw/zinc/37/07/14/448370714.db2.gz YQDGWGBCSPEICN-DOTOQJQBSA-N 2 2 343.475 1.976 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000527830095 448370721 /nfs/dbraw/zinc/37/07/21/448370721.db2.gz YQDGWGBCSPEICN-DOTOQJQBSA-N 2 2 343.475 1.976 20 0 EDADLP C[C@H](C[NH2+]Cc1csc(-c2cnn(C)c2)n1)C[NH+]1CCOCC1 ZINC000527667550 448334198 /nfs/dbraw/zinc/33/41/98/448334198.db2.gz XSPRKZLTAKHKBF-CYBMUJFWSA-N 2 2 335.477 1.602 20 0 EDADLP COC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(CC[NH3+])CC1)[nH]c2=O ZINC000516187587 448393899 /nfs/dbraw/zinc/39/38/99/448393899.db2.gz FPRLMYVTSCUGDH-UHFFFAOYSA-N 2 2 344.415 1.683 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000591601407 448403751 /nfs/dbraw/zinc/40/37/51/448403751.db2.gz ZPVMJWDNUQVMDB-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000591601407 448403754 /nfs/dbraw/zinc/40/37/54/448403754.db2.gz ZPVMJWDNUQVMDB-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000591601407 448403757 /nfs/dbraw/zinc/40/37/57/448403757.db2.gz ZPVMJWDNUQVMDB-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000591601407 448403762 /nfs/dbraw/zinc/40/37/62/448403762.db2.gz ZPVMJWDNUQVMDB-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)(CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCCCC1 ZINC000516546458 448435605 /nfs/dbraw/zinc/43/56/05/448435605.db2.gz VVAJFVGHOWAKDL-IYBDPMFKSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCCCC1 ZINC000516546458 448435608 /nfs/dbraw/zinc/43/56/08/448435608.db2.gz VVAJFVGHOWAKDL-IYBDPMFKSA-N 2 2 338.496 1.413 20 0 EDADLP CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3CCCN(Cc4[nH+]ccn4C)C3=O)C[C@H]2C1 ZINC000578185719 448478860 /nfs/dbraw/zinc/47/88/60/448478860.db2.gz BPEJWCCXCVLLOE-UTSKFRMZSA-N 2 2 346.475 1.704 20 0 EDADLP COc1ccc(COC[C@@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000578187764 448480056 /nfs/dbraw/zinc/48/00/56/448480056.db2.gz VGBSWYUKSJDXSS-HOTGVXAUSA-N 2 2 331.416 1.374 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCN2C1=O ZINC000516980964 448516885 /nfs/dbraw/zinc/51/68/85/448516885.db2.gz FLMOAFUPWQFYNM-HIFRSBDPSA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCN2C1=O ZINC000516980964 448516891 /nfs/dbraw/zinc/51/68/91/448516891.db2.gz FLMOAFUPWQFYNM-HIFRSBDPSA-N 2 2 346.818 1.739 20 0 EDADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000578497658 448560874 /nfs/dbraw/zinc/56/08/74/448560874.db2.gz RUUPTNCJNBAONW-IRXDYDNUSA-N 3 2 345.491 1.098 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])n[nH]1 ZINC000578515098 448567399 /nfs/dbraw/zinc/56/73/99/448567399.db2.gz JZEMNOVEFKEIFU-UHFFFAOYSA-N 2 2 344.463 1.944 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])n[nH]1 ZINC000578515098 448567402 /nfs/dbraw/zinc/56/74/02/448567402.db2.gz JZEMNOVEFKEIFU-UHFFFAOYSA-N 2 2 344.463 1.944 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000537718912 448567890 /nfs/dbraw/zinc/56/78/90/448567890.db2.gz RQDOOAOVFAWODP-OAHLLOKOSA-N 2 2 346.475 1.808 20 0 EDADLP CS[C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1[NH+](C)C ZINC000537924819 448573810 /nfs/dbraw/zinc/57/38/10/448573810.db2.gz RDVDNLPPZYXOFF-CABCVRRESA-N 2 2 332.473 1.689 20 0 EDADLP O=C1[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528492451 448553201 /nfs/dbraw/zinc/55/32/01/448553201.db2.gz TYTTYYGPWSOWSI-PKOBYXMFSA-N 2 2 349.519 1.964 20 0 EDADLP O=C1[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528492451 448553206 /nfs/dbraw/zinc/55/32/06/448553206.db2.gz TYTTYYGPWSOWSI-PKOBYXMFSA-N 2 2 349.519 1.964 20 0 EDADLP C[C@@H]1C[NH+](CC(O)C[N@H+]2C[C@@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000573245094 448578836 /nfs/dbraw/zinc/57/88/36/448578836.db2.gz JMYBMOBOZCNTHB-HZPDHXFCSA-N 2 2 338.492 1.634 20 0 EDADLP C[C@@H]1C[NH+](CC(O)C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000573245094 448578839 /nfs/dbraw/zinc/57/88/39/448578839.db2.gz JMYBMOBOZCNTHB-HZPDHXFCSA-N 2 2 338.492 1.634 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC000573344597 448605686 /nfs/dbraw/zinc/60/56/86/448605686.db2.gz LOBXVGZJKDUUCS-HOTGVXAUSA-N 2 2 346.475 1.411 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000567058475 448606525 /nfs/dbraw/zinc/60/65/25/448606525.db2.gz SHOMJGCGXAHZMC-IBGZPJMESA-N 2 2 334.460 1.229 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000567058475 448606528 /nfs/dbraw/zinc/60/65/28/448606528.db2.gz SHOMJGCGXAHZMC-IBGZPJMESA-N 2 2 334.460 1.229 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000567058475 448606532 /nfs/dbraw/zinc/60/65/32/448606532.db2.gz SHOMJGCGXAHZMC-IBGZPJMESA-N 2 2 334.460 1.229 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000567058475 448606537 /nfs/dbraw/zinc/60/65/37/448606537.db2.gz SHOMJGCGXAHZMC-IBGZPJMESA-N 2 2 334.460 1.229 20 0 EDADLP COc1ccc(-c2nc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)co2)cc1 ZINC000567124949 448618225 /nfs/dbraw/zinc/61/82/25/448618225.db2.gz XWVVESJEGOLFOW-GOEBONIOSA-N 2 2 342.399 1.094 20 0 EDADLP COc1ccc(-c2nc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)co2)cc1 ZINC000567124949 448618233 /nfs/dbraw/zinc/61/82/33/448618233.db2.gz XWVVESJEGOLFOW-GOEBONIOSA-N 2 2 342.399 1.094 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1C ZINC000573430055 448624157 /nfs/dbraw/zinc/62/41/57/448624157.db2.gz ZRYATIHZMRUVRQ-FZMZJTMJSA-N 2 2 343.431 1.419 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1C ZINC000573430055 448624160 /nfs/dbraw/zinc/62/41/60/448624160.db2.gz ZRYATIHZMRUVRQ-FZMZJTMJSA-N 2 2 343.431 1.419 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(-c3ccncc3)cc2)[C@@H](C[NH3+])C1 ZINC000567147773 448624292 /nfs/dbraw/zinc/62/42/92/448624292.db2.gz BLBZVENUUXBIPR-SFHVURJKSA-N 2 2 339.443 1.533 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(-c3ccncc3)cc2)[C@@H](C[NH3+])C1 ZINC000567147773 448624295 /nfs/dbraw/zinc/62/42/95/448624295.db2.gz BLBZVENUUXBIPR-SFHVURJKSA-N 2 2 339.443 1.533 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCc2nc(C)sc21 ZINC000578597621 448586553 /nfs/dbraw/zinc/58/65/53/448586553.db2.gz GFVCVJMYRKRNMC-ZFWWWQNUSA-N 2 2 327.494 1.700 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCc2nc(C)sc21 ZINC000578597621 448586557 /nfs/dbraw/zinc/58/65/57/448586557.db2.gz GFVCVJMYRKRNMC-ZFWWWQNUSA-N 2 2 327.494 1.700 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000578597621 448586562 /nfs/dbraw/zinc/58/65/62/448586562.db2.gz GFVCVJMYRKRNMC-ZFWWWQNUSA-N 2 2 327.494 1.700 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000578597621 448586566 /nfs/dbraw/zinc/58/65/66/448586566.db2.gz GFVCVJMYRKRNMC-ZFWWWQNUSA-N 2 2 327.494 1.700 20 0 EDADLP Cc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000584827045 448644420 /nfs/dbraw/zinc/64/44/20/448644420.db2.gz ZHRRTUSZFCOCIJ-UHFFFAOYSA-N 2 2 347.507 2.117 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000584829946 448646705 /nfs/dbraw/zinc/64/67/05/448646705.db2.gz DEYVFYKSLGBCSO-ZOPJHEKZSA-N 2 2 333.432 1.761 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000528732012 448651015 /nfs/dbraw/zinc/65/10/15/448651015.db2.gz WVOIFDWUPAPUPL-SFHVURJKSA-N 2 2 348.487 1.921 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1)C1CC1 ZINC000528761397 448666264 /nfs/dbraw/zinc/66/62/64/448666264.db2.gz DOZCFKPDJDGEKY-MRXNPFEDSA-N 2 2 328.460 1.745 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1)C1CC1 ZINC000528761397 448666265 /nfs/dbraw/zinc/66/62/65/448666265.db2.gz DOZCFKPDJDGEKY-MRXNPFEDSA-N 2 2 328.460 1.745 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)CNC2CC([NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000573438133 448627072 /nfs/dbraw/zinc/62/70/72/448627072.db2.gz AKHSKVVAEVWMJL-QNVOQPSNSA-N 2 2 325.497 1.063 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000578754508 448628038 /nfs/dbraw/zinc/62/80/38/448628038.db2.gz AJKCLEHLTKAGEK-MRXNPFEDSA-N 2 2 349.479 1.416 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000573683260 448689771 /nfs/dbraw/zinc/68/97/71/448689771.db2.gz BMMWXABJLXZQPJ-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000573683260 448689778 /nfs/dbraw/zinc/68/97/78/448689778.db2.gz BMMWXABJLXZQPJ-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000578969206 448680640 /nfs/dbraw/zinc/68/06/40/448680640.db2.gz PKPMLHAMJHDXKK-INIZCTEOSA-N 2 2 345.422 1.947 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(F)c1 ZINC000592183660 448725601 /nfs/dbraw/zinc/72/56/01/448725601.db2.gz ABIDAFRPQDKSQK-UHFFFAOYSA-N 2 2 336.407 1.909 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(F)c1 ZINC000592183660 448725607 /nfs/dbraw/zinc/72/56/07/448725607.db2.gz ABIDAFRPQDKSQK-UHFFFAOYSA-N 2 2 336.407 1.909 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000579228171 448745079 /nfs/dbraw/zinc/74/50/79/448745079.db2.gz BUAYRABXVUYLRE-KXBFYZLASA-N 3 2 332.492 1.652 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000579228171 448745081 /nfs/dbraw/zinc/74/50/81/448745081.db2.gz BUAYRABXVUYLRE-KXBFYZLASA-N 3 2 332.492 1.652 20 0 EDADLP Cc1cc(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)n1C ZINC000579268035 448758335 /nfs/dbraw/zinc/75/83/35/448758335.db2.gz VCVLCYLIRARCQY-UHFFFAOYSA-N 2 2 348.491 1.214 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000586767592 448804222 /nfs/dbraw/zinc/80/42/22/448804222.db2.gz MXTCIHLEDLLATR-UHFFFAOYSA-N 2 2 330.476 1.858 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(OC)c(Cl)c1 ZINC000579489105 448808732 /nfs/dbraw/zinc/80/87/32/448808732.db2.gz IJAYRIZUIJFCGI-AWEZNQCLSA-N 2 2 330.856 1.720 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(OC)c(Cl)c1 ZINC000579489105 448808736 /nfs/dbraw/zinc/80/87/36/448808736.db2.gz IJAYRIZUIJFCGI-AWEZNQCLSA-N 2 2 330.856 1.720 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000579489105 448808740 /nfs/dbraw/zinc/80/87/40/448808740.db2.gz IJAYRIZUIJFCGI-AWEZNQCLSA-N 2 2 330.856 1.720 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000579489105 448808743 /nfs/dbraw/zinc/80/87/43/448808743.db2.gz IJAYRIZUIJFCGI-AWEZNQCLSA-N 2 2 330.856 1.720 20 0 EDADLP CCCN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000568057459 448809914 /nfs/dbraw/zinc/80/99/14/448809914.db2.gz WLHWQMMNPHJYQA-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP COc1cc(F)cc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000574029788 448772387 /nfs/dbraw/zinc/77/23/87/448772387.db2.gz ZGNDXOMPJQHPQC-INIZCTEOSA-N 2 2 346.406 1.849 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000574040313 448777450 /nfs/dbraw/zinc/77/74/50/448777450.db2.gz FIYHKCWGVGZODJ-LJQANCHMSA-N 2 2 331.460 1.566 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000574040313 448777454 /nfs/dbraw/zinc/77/74/54/448777454.db2.gz FIYHKCWGVGZODJ-LJQANCHMSA-N 2 2 331.460 1.566 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000567986798 448793761 /nfs/dbraw/zinc/79/37/61/448793761.db2.gz DMVBDOVCYPONRT-ZDUSSCGKSA-N 2 2 349.826 1.061 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)C2)nn1 ZINC000567986798 448793765 /nfs/dbraw/zinc/79/37/65/448793765.db2.gz DMVBDOVCYPONRT-ZDUSSCGKSA-N 2 2 349.826 1.061 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000586751551 448796881 /nfs/dbraw/zinc/79/68/81/448796881.db2.gz CMAKZDWYVRQDBF-KGLIPLIRSA-N 2 2 328.420 1.513 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@H+]1CCC[C@@H](C)C1 ZINC000586751551 448796884 /nfs/dbraw/zinc/79/68/84/448796884.db2.gz CMAKZDWYVRQDBF-KGLIPLIRSA-N 2 2 328.420 1.513 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH2+]C[C@@H]2C(C)C)cn1 ZINC000529311038 448817426 /nfs/dbraw/zinc/81/74/26/448817426.db2.gz ZWILWJRHGSPKLU-MRXNPFEDSA-N 2 2 342.447 1.715 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2[nH+]ccn21 ZINC000529329247 448828180 /nfs/dbraw/zinc/82/81/80/448828180.db2.gz GRNWSYYDUCOTHH-BMFZPTHFSA-N 2 2 347.463 1.689 20 0 EDADLP O=C(CCOC1C[NH2+]C1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000579589972 448829984 /nfs/dbraw/zinc/82/99/84/448829984.db2.gz ZBIFHWQQHBUBKG-UHFFFAOYSA-N 2 2 342.443 1.723 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000546614429 448831353 /nfs/dbraw/zinc/83/13/53/448831353.db2.gz MFOWWBYHYFKRFI-KBXCAEBGSA-N 2 2 349.500 1.799 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000546614429 448831355 /nfs/dbraw/zinc/83/13/55/448831355.db2.gz MFOWWBYHYFKRFI-KBXCAEBGSA-N 2 2 349.500 1.799 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC([C@@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000529366240 448841946 /nfs/dbraw/zinc/84/19/46/448841946.db2.gz JTVHMDIZMZUJLH-CQSZACIVSA-N 2 2 348.495 2.089 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000519821315 448852302 /nfs/dbraw/zinc/85/23/02/448852302.db2.gz FIUFQIGQYXRJSL-UWVGGRQHSA-N 2 2 346.294 1.715 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(Br)s1 ZINC000519821315 448852305 /nfs/dbraw/zinc/85/23/05/448852305.db2.gz FIUFQIGQYXRJSL-UWVGGRQHSA-N 2 2 346.294 1.715 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000519830215 448855108 /nfs/dbraw/zinc/85/51/08/448855108.db2.gz XJIVIUIPVMTNHL-SJORKVTESA-N 2 2 326.868 1.680 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000519830215 448855114 /nfs/dbraw/zinc/85/51/14/448855114.db2.gz XJIVIUIPVMTNHL-SJORKVTESA-N 2 2 326.868 1.680 20 0 EDADLP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568399563 448868896 /nfs/dbraw/zinc/86/88/96/448868896.db2.gz SSPWJIHVXZHBKN-KDOFPFPSSA-N 2 2 340.427 1.513 20 0 EDADLP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568399563 448868901 /nfs/dbraw/zinc/86/89/01/448868901.db2.gz SSPWJIHVXZHBKN-KDOFPFPSSA-N 2 2 340.427 1.513 20 0 EDADLP Cc1cccn2cc(CC(=O)Nc3ccn(CC[NH+](C)C)n3)[nH+]c12 ZINC000588216373 448885472 /nfs/dbraw/zinc/88/54/72/448885472.db2.gz AXHQTXPDBNSXPF-UHFFFAOYSA-N 2 2 326.404 1.582 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000574392971 448862861 /nfs/dbraw/zinc/86/28/61/448862861.db2.gz JZSCGYROEWVAOK-NEWSRXKRSA-N 2 2 348.487 1.796 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000574392971 448862866 /nfs/dbraw/zinc/86/28/66/448862866.db2.gz JZSCGYROEWVAOK-NEWSRXKRSA-N 2 2 348.487 1.796 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000568738612 448913146 /nfs/dbraw/zinc/91/31/46/448913146.db2.gz CNYSESLXNDUCDC-AGIUHOORSA-N 2 2 327.379 1.473 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000574685015 448931851 /nfs/dbraw/zinc/93/18/51/448931851.db2.gz XUIXBPNZGRGVGT-IDHHARJASA-N 2 2 334.460 1.897 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000574685015 448931853 /nfs/dbraw/zinc/93/18/53/448931853.db2.gz XUIXBPNZGRGVGT-IDHHARJASA-N 2 2 334.460 1.897 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000574504377 448887839 /nfs/dbraw/zinc/88/78/39/448887839.db2.gz DKXFOSXSXRNGBN-HZPDHXFCSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000579849087 448895860 /nfs/dbraw/zinc/89/58/60/448895860.db2.gz JBWPZDJIPPRXDE-IKGGRYGDSA-N 2 2 330.476 1.441 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000579849087 448895866 /nfs/dbraw/zinc/89/58/66/448895866.db2.gz JBWPZDJIPPRXDE-IKGGRYGDSA-N 2 2 330.476 1.441 20 0 EDADLP C[C@H](CCO)C1(C[NH2+]C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000574812646 448962615 /nfs/dbraw/zinc/96/26/15/448962615.db2.gz GOLOHACFFNYRPI-QBPKDAKJSA-N 2 2 328.497 1.235 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000529805576 448966527 /nfs/dbraw/zinc/96/65/27/448966527.db2.gz VNWGVTNKIYLNDI-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000529805576 448966530 /nfs/dbraw/zinc/96/65/30/448966530.db2.gz VNWGVTNKIYLNDI-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000529805576 448966537 /nfs/dbraw/zinc/96/65/37/448966537.db2.gz VNWGVTNKIYLNDI-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000529805576 448966543 /nfs/dbraw/zinc/96/65/43/448966543.db2.gz VNWGVTNKIYLNDI-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000574859886 448971466 /nfs/dbraw/zinc/97/14/66/448971466.db2.gz FKXUGVBLJLYWCX-UHFFFAOYSA-N 2 2 343.431 1.640 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)nc(C(C)C)[nH+]1 ZINC000529845027 448983215 /nfs/dbraw/zinc/98/32/15/448983215.db2.gz DOEWBZBZZZQCTP-CQSZACIVSA-N 2 2 342.447 1.896 20 0 EDADLP CCO[C@@H]1C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000574955589 448997177 /nfs/dbraw/zinc/99/71/77/448997177.db2.gz CPXPUCTUZNERBJ-PFUJJPPESA-N 2 2 336.480 1.116 20 0 EDADLP CCO[C@@H]1C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000574955589 448997182 /nfs/dbraw/zinc/99/71/82/448997182.db2.gz CPXPUCTUZNERBJ-PFUJJPPESA-N 2 2 336.480 1.116 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000548307061 449017891 /nfs/dbraw/zinc/01/78/91/449017891.db2.gz OSRKPCDTNZVUGD-DZGCQCFKSA-N 2 2 348.472 1.799 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c[nH+]1 ZINC000592955613 449075517 /nfs/dbraw/zinc/07/55/17/449075517.db2.gz AJHFZVJHOBFRID-CYBMUJFWSA-N 2 2 328.420 1.110 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000595622236 449085823 /nfs/dbraw/zinc/08/58/23/449085823.db2.gz VSCVHWJXVRBLEQ-AGIUHOORSA-N 2 2 340.386 1.361 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000595622236 449085827 /nfs/dbraw/zinc/08/58/27/449085827.db2.gz VSCVHWJXVRBLEQ-AGIUHOORSA-N 2 2 340.386 1.361 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000595622236 449085829 /nfs/dbraw/zinc/08/58/29/449085829.db2.gz VSCVHWJXVRBLEQ-AGIUHOORSA-N 2 2 340.386 1.361 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595622236 449085834 /nfs/dbraw/zinc/08/58/34/449085834.db2.gz VSCVHWJXVRBLEQ-AGIUHOORSA-N 2 2 340.386 1.361 20 0 EDADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCc3cn4ccccc4[nH+]3)c21 ZINC000592956796 449077943 /nfs/dbraw/zinc/07/79/43/449077943.db2.gz LWKHMLKWQUWETR-ZDUSSCGKSA-N 2 2 338.415 1.339 20 0 EDADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000582234688 449043259 /nfs/dbraw/zinc/04/32/59/449043259.db2.gz HOWWOOKOGDCCGH-QYZOEREBSA-N 2 2 343.471 1.605 20 0 EDADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000582234688 449043265 /nfs/dbraw/zinc/04/32/65/449043265.db2.gz HOWWOOKOGDCCGH-QYZOEREBSA-N 2 2 343.471 1.605 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000575161562 449051973 /nfs/dbraw/zinc/05/19/73/449051973.db2.gz FHLMWWKPMZKQOZ-INIZCTEOSA-N 2 2 342.447 1.629 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000522138009 449054483 /nfs/dbraw/zinc/05/44/83/449054483.db2.gz ZSKKYMQZLKCFFT-RDJZCZTQSA-N 2 2 331.460 1.852 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000522138009 449054486 /nfs/dbraw/zinc/05/44/86/449054486.db2.gz ZSKKYMQZLKCFFT-RDJZCZTQSA-N 2 2 331.460 1.852 20 0 EDADLP CSC1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC[NH+](C)CC1 ZINC000593715848 449158228 /nfs/dbraw/zinc/15/82/28/449158228.db2.gz MOQKJSJIWXRKFR-UHFFFAOYSA-N 2 2 336.505 1.706 20 0 EDADLP COC(=O)c1ccccc1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862824 449215210 /nfs/dbraw/zinc/21/52/10/449215210.db2.gz HHEXPBMZWCTFLA-QGZVFWFLSA-N 2 2 332.444 1.547 20 0 EDADLP COC(=O)c1ccccc1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595862824 449215213 /nfs/dbraw/zinc/21/52/13/449215213.db2.gz HHEXPBMZWCTFLA-QGZVFWFLSA-N 2 2 332.444 1.547 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cn2c1 ZINC000595990388 449300631 /nfs/dbraw/zinc/30/06/31/449300631.db2.gz QQIJBTOSUQRGOM-ZIAGYGMSSA-N 2 2 336.436 1.774 20 0 EDADLP CN(C(=O)c1cnn2ccccc12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604868566 449321837 /nfs/dbraw/zinc/32/18/37/449321837.db2.gz UONRFWBKZKGORG-INIZCTEOSA-N 2 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1cnn2ccccc12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604868566 449321844 /nfs/dbraw/zinc/32/18/44/449321844.db2.gz UONRFWBKZKGORG-INIZCTEOSA-N 2 2 341.459 1.575 20 0 EDADLP COC(=O)Cc1cc[nH+]c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000596130780 449379337 /nfs/dbraw/zinc/37/93/37/449379337.db2.gz WPOKQGFSGSQNQZ-HNNXBMFYSA-N 2 2 333.432 1.710 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)(C)CO ZINC000605574728 449397991 /nfs/dbraw/zinc/39/79/91/449397991.db2.gz HZPIIJYWQABCOS-UHFFFAOYSA-N 2 2 325.478 1.095 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)(C)CO ZINC000605574728 449397996 /nfs/dbraw/zinc/39/79/96/449397996.db2.gz HZPIIJYWQABCOS-UHFFFAOYSA-N 2 2 325.478 1.095 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000617009450 449426835 /nfs/dbraw/zinc/42/68/35/449426835.db2.gz ZIKBCKHBQRVQLH-XHSDSOJGSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000617009450 449426839 /nfs/dbraw/zinc/42/68/39/449426839.db2.gz ZIKBCKHBQRVQLH-XHSDSOJGSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCO[C@H](CC)C1 ZINC000617009450 449426844 /nfs/dbraw/zinc/42/68/44/449426844.db2.gz ZIKBCKHBQRVQLH-XHSDSOJGSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCO[C@H](CC)C1 ZINC000617009450 449426848 /nfs/dbraw/zinc/42/68/48/449426848.db2.gz ZIKBCKHBQRVQLH-XHSDSOJGSA-N 2 2 325.497 1.865 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)ccc2[nH+]1 ZINC000606570321 449488103 /nfs/dbraw/zinc/48/81/03/449488103.db2.gz LISHDRWJRLPBMW-MRXNPFEDSA-N 2 2 343.431 1.971 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2COC[C@@H]2c2ccccc2)CC1 ZINC000611977718 449501026 /nfs/dbraw/zinc/50/10/26/449501026.db2.gz KIPSWQZZUBSLTI-RTBURBONSA-N 2 2 345.487 1.559 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000614612673 449710853 /nfs/dbraw/zinc/71/08/53/449710853.db2.gz YDWYEDRRQUTDIC-KDOFPFPSSA-N 2 2 342.443 1.942 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000614612673 449710859 /nfs/dbraw/zinc/71/08/59/449710859.db2.gz YDWYEDRRQUTDIC-KDOFPFPSSA-N 2 2 342.443 1.942 20 0 EDADLP COc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000617763548 449822073 /nfs/dbraw/zinc/82/20/73/449822073.db2.gz URDXJCNZUOXUOD-UHFFFAOYSA-N 2 2 327.856 1.962 20 0 EDADLP COc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000617763548 449822078 /nfs/dbraw/zinc/82/20/78/449822078.db2.gz URDXJCNZUOXUOD-UHFFFAOYSA-N 2 2 327.856 1.962 20 0 EDADLP C[C@H]1C(=O)CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000617765244 449826249 /nfs/dbraw/zinc/82/62/49/449826249.db2.gz YKAVKJJSQNEIAS-LSDHHAIUSA-N 2 2 325.497 1.628 20 0 EDADLP C[C@H]1C(=O)CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000617765244 449826257 /nfs/dbraw/zinc/82/62/57/449826257.db2.gz YKAVKJJSQNEIAS-LSDHHAIUSA-N 2 2 325.497 1.628 20 0 EDADLP Cc1nc(-c2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2)n[nH]1 ZINC000617766904 449829910 /nfs/dbraw/zinc/82/99/10/449829910.db2.gz YMKSAKYQLHSVQR-UHFFFAOYSA-N 2 2 344.463 1.393 20 0 EDADLP Cc1nc(-c2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2)n[nH]1 ZINC000617766904 449829916 /nfs/dbraw/zinc/82/99/16/449829916.db2.gz YMKSAKYQLHSVQR-UHFFFAOYSA-N 2 2 344.463 1.393 20 0 EDADLP C[C@H](Oc1ccccc1F)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768217 449834130 /nfs/dbraw/zinc/83/41/30/449834130.db2.gz USGZLBLCBWSMSE-AWEZNQCLSA-N 2 2 325.428 1.593 20 0 EDADLP C[C@H](Oc1ccccc1F)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768217 449834136 /nfs/dbraw/zinc/83/41/36/449834136.db2.gz USGZLBLCBWSMSE-AWEZNQCLSA-N 2 2 325.428 1.593 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000608439417 449840139 /nfs/dbraw/zinc/84/01/39/449840139.db2.gz XRMFGQLBDONNIC-INIZCTEOSA-N 2 2 334.508 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000608439417 449840141 /nfs/dbraw/zinc/84/01/41/449840141.db2.gz XRMFGQLBDONNIC-INIZCTEOSA-N 2 2 334.508 1.890 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCCC1 ZINC000617735643 449798874 /nfs/dbraw/zinc/79/88/74/449798874.db2.gz SCQMKGCZFYEXBZ-BBWFWOEESA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCCC1 ZINC000617735643 449798881 /nfs/dbraw/zinc/79/88/81/449798881.db2.gz SCQMKGCZFYEXBZ-BBWFWOEESA-N 2 2 325.497 1.722 20 0 EDADLP CC[C@H](C[C@H](C)CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608686106 449908511 /nfs/dbraw/zinc/90/85/11/449908511.db2.gz JAPLNQRYCJQQIC-XHSDSOJGSA-N 2 2 340.512 1.251 20 0 EDADLP CC[C@H](C[C@H](C)CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608686106 449908520 /nfs/dbraw/zinc/90/85/20/449908520.db2.gz JAPLNQRYCJQQIC-XHSDSOJGSA-N 2 2 340.512 1.251 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612993011 449975211 /nfs/dbraw/zinc/97/52/11/449975211.db2.gz BBIZXMAAPASLMF-HNNXBMFYSA-N 2 2 329.448 1.623 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615301931 450053414 /nfs/dbraw/zinc/05/34/14/450053414.db2.gz KPKXPHIQROLAJV-IMJJTQAJSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615301931 450053419 /nfs/dbraw/zinc/05/34/19/450053419.db2.gz KPKXPHIQROLAJV-IMJJTQAJSA-N 2 2 349.479 1.034 20 0 EDADLP COC(=O)CCN1CCC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000595344115 450057248 /nfs/dbraw/zinc/05/72/48/450057248.db2.gz LTJCAALWRCALIU-HNNXBMFYSA-N 2 2 334.420 1.074 20 0 EDADLP COC(=O)[C@]1(NCc2cn(C)c[nH+]2)CCC[N@H+](Cc2ccccc2)C1 ZINC000595406451 450117660 /nfs/dbraw/zinc/11/76/60/450117660.db2.gz JHTASQORPFRTRP-IBGZPJMESA-N 2 2 342.443 1.718 20 0 EDADLP COC(=O)[C@]1(NCc2cn(C)c[nH+]2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000595406451 450117664 /nfs/dbraw/zinc/11/76/64/450117664.db2.gz JHTASQORPFRTRP-IBGZPJMESA-N 2 2 342.443 1.718 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC[C@@H]([NH+]4CCOCC4)C3)[nH+]c12 ZINC000615553641 450143271 /nfs/dbraw/zinc/14/32/71/450143271.db2.gz ROSLMFFLZXTVAW-QGZVFWFLSA-N 2 2 342.443 1.508 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000595465851 450160941 /nfs/dbraw/zinc/16/09/41/450160941.db2.gz IHZCMZGIPQBSAV-HZPDHXFCSA-N 2 2 347.415 1.089 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000595465851 450160947 /nfs/dbraw/zinc/16/09/47/450160947.db2.gz IHZCMZGIPQBSAV-HZPDHXFCSA-N 2 2 347.415 1.089 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552012 450226259 /nfs/dbraw/zinc/22/62/59/450226259.db2.gz NMFBSFCTAZDUCQ-GFCCVEGCSA-N 2 2 343.431 1.662 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552035 450227623 /nfs/dbraw/zinc/22/76/23/450227623.db2.gz NZGDRPMVVUEXHJ-UHFFFAOYSA-N 2 2 329.404 1.273 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000615769148 450228564 /nfs/dbraw/zinc/22/85/64/450228564.db2.gz MTCIMIFRTXSOKN-DLBZAZTESA-N 2 2 345.491 1.072 20 0 EDADLP OCCNc1nc(NC2CC[NH+](CC3CC3)CC2)[nH+]c2ccccc21 ZINC000613567311 450229255 /nfs/dbraw/zinc/22/92/55/450229255.db2.gz QSZKCFBAYFONJO-UHFFFAOYSA-N 2 2 341.459 1.164 20 0 EDADLP CCc1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc[nH+]1 ZINC000603394125 450279148 /nfs/dbraw/zinc/27/91/48/450279148.db2.gz JXBJUVJWHHRRDK-UHFFFAOYSA-N 2 2 341.463 1.843 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603601568 450332789 /nfs/dbraw/zinc/33/27/89/450332789.db2.gz GPZLLZLRHLFMBK-HOTGVXAUSA-N 2 2 348.495 1.500 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2n1CCCCC2 ZINC000623018570 450367391 /nfs/dbraw/zinc/36/73/91/450367391.db2.gz NFUURHUTQVBHRZ-UHFFFAOYSA-N 2 2 347.507 1.708 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2n1CCCCC2 ZINC000623018570 450367397 /nfs/dbraw/zinc/36/73/97/450367397.db2.gz NFUURHUTQVBHRZ-UHFFFAOYSA-N 2 2 347.507 1.708 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000623305849 450491137 /nfs/dbraw/zinc/49/11/37/450491137.db2.gz AWZRSVJQIOZSKW-AEFFLSMTSA-N 2 2 340.427 1.215 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000623305849 450491141 /nfs/dbraw/zinc/49/11/41/450491141.db2.gz AWZRSVJQIOZSKW-AEFFLSMTSA-N 2 2 340.427 1.215 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000623599509 450549687 /nfs/dbraw/zinc/54/96/87/450549687.db2.gz KCYCMQOHGCMARG-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000623599509 450549689 /nfs/dbraw/zinc/54/96/89/450549689.db2.gz KCYCMQOHGCMARG-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2COc3cc(F)ccc3C2)CC1 ZINC000625993478 450550497 /nfs/dbraw/zinc/55/04/97/450550497.db2.gz ZBSCCWXEJAODSJ-OAHLLOKOSA-N 2 2 349.450 1.519 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000623616283 450551439 /nfs/dbraw/zinc/55/14/39/450551439.db2.gz DFJFTUSNPCVDNB-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000623616283 450551440 /nfs/dbraw/zinc/55/14/40/450551440.db2.gz DFJFTUSNPCVDNB-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000623616283 450551442 /nfs/dbraw/zinc/55/14/42/450551442.db2.gz DFJFTUSNPCVDNB-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000623616283 450551443 /nfs/dbraw/zinc/55/14/43/450551443.db2.gz DFJFTUSNPCVDNB-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(Cl)c1 ZINC000623617899 450551988 /nfs/dbraw/zinc/55/19/88/450551988.db2.gz UQMRXRVDGCJHOC-HNNXBMFYSA-N 2 2 325.840 1.778 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000623618713 450552918 /nfs/dbraw/zinc/55/29/18/450552918.db2.gz AHBWUZWWZVGAGS-ZDUSSCGKSA-N 2 2 345.365 1.857 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000623618713 450552919 /nfs/dbraw/zinc/55/29/19/450552919.db2.gz AHBWUZWWZVGAGS-ZDUSSCGKSA-N 2 2 345.365 1.857 20 0 EDADLP COC[C@@]1(C)C[NH+]([C@@H](C)CC[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174992 450609623 /nfs/dbraw/zinc/60/96/23/450609623.db2.gz FHIPVUOCFLYVRW-OKZBNKHCSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@@]1(C)C[NH+]([C@@H](C)CC[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174992 450609628 /nfs/dbraw/zinc/60/96/28/450609628.db2.gz FHIPVUOCFLYVRW-OKZBNKHCSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@@]1(C)C[N@H+]([C@@H](C)CC[NH+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174992 450609630 /nfs/dbraw/zinc/60/96/30/450609630.db2.gz FHIPVUOCFLYVRW-OKZBNKHCSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@@]1(C)C[N@@H+]([C@@H](C)CC[NH+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174992 450609634 /nfs/dbraw/zinc/60/96/34/450609634.db2.gz FHIPVUOCFLYVRW-OKZBNKHCSA-N 2 2 344.496 1.240 20 0 EDADLP CN(C)c1nc(NCc2cc[nH+]c(N3CCSCC3)c2)cc[nH+]1 ZINC000631509253 450629785 /nfs/dbraw/zinc/62/97/85/450629785.db2.gz ZFYNQPIMKFDEMB-UHFFFAOYSA-N 2 2 330.461 2.103 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000635119941 450664071 /nfs/dbraw/zinc/66/40/71/450664071.db2.gz RMLDKBSNBOMLCT-QGZVFWFLSA-N 2 2 331.460 1.551 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000635119941 450664074 /nfs/dbraw/zinc/66/40/74/450664074.db2.gz RMLDKBSNBOMLCT-QGZVFWFLSA-N 2 2 331.460 1.551 20 0 EDADLP C[C@@H](OCc1ccncc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000631625987 450683546 /nfs/dbraw/zinc/68/35/46/450683546.db2.gz UCCHDVFJXJPFNB-OAHLLOKOSA-N 2 2 334.464 1.129 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000629439922 450686591 /nfs/dbraw/zinc/68/65/91/450686591.db2.gz MSWUUSCVBNTSLI-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000629439922 450686596 /nfs/dbraw/zinc/68/65/96/450686596.db2.gz MSWUUSCVBNTSLI-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629439922 450686599 /nfs/dbraw/zinc/68/65/99/450686599.db2.gz MSWUUSCVBNTSLI-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629439922 450686603 /nfs/dbraw/zinc/68/66/03/450686603.db2.gz MSWUUSCVBNTSLI-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000635141248 450687493 /nfs/dbraw/zinc/68/74/93/450687493.db2.gz PQDQDIDMLMQAMJ-SJLPKXTDSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000635141248 450687495 /nfs/dbraw/zinc/68/74/95/450687495.db2.gz PQDQDIDMLMQAMJ-SJLPKXTDSA-N 2 2 331.460 1.518 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2c(C)cc(C)nc2OC)CC1 ZINC000621392380 450712844 /nfs/dbraw/zinc/71/28/44/450712844.db2.gz IPZHESJDOXTEEL-MRXNPFEDSA-N 2 2 348.491 1.691 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2c(C)cc(C)nc2OC)CC1 ZINC000621392380 450712850 /nfs/dbraw/zinc/71/28/50/450712850.db2.gz IPZHESJDOXTEEL-MRXNPFEDSA-N 2 2 348.491 1.691 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000629570452 450742582 /nfs/dbraw/zinc/74/25/82/450742582.db2.gz KNNYIPMQMAGYCP-UHFFFAOYSA-N 2 2 330.388 1.749 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000629570452 450742584 /nfs/dbraw/zinc/74/25/84/450742584.db2.gz KNNYIPMQMAGYCP-UHFFFAOYSA-N 2 2 330.388 1.749 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000635202908 450745209 /nfs/dbraw/zinc/74/52/09/450745209.db2.gz SCGRKRNUYMJWKB-UHFFFAOYSA-N 2 2 327.432 1.746 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)C[N@@H+]1C1CC1 ZINC000631743866 450745466 /nfs/dbraw/zinc/74/54/66/450745466.db2.gz FGHMYAVCGHMUEF-BQGCOEIASA-N 2 2 341.521 1.594 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)C[N@H+]1C1CC1 ZINC000631743866 450745472 /nfs/dbraw/zinc/74/54/72/450745472.db2.gz FGHMYAVCGHMUEF-BQGCOEIASA-N 2 2 341.521 1.594 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584203 450749040 /nfs/dbraw/zinc/74/90/40/450749040.db2.gz MSJUOUNSSQKPMI-ZOCIIQOWSA-N 2 2 333.451 1.804 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584203 450749044 /nfs/dbraw/zinc/74/90/44/450749044.db2.gz MSJUOUNSSQKPMI-ZOCIIQOWSA-N 2 2 333.451 1.804 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21)C[NH+]1CCCC1 ZINC000629585604 450750118 /nfs/dbraw/zinc/75/01/18/450750118.db2.gz YBVBXJVUVAZLCI-IAGOWNOFSA-N 2 2 326.444 1.906 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592108 450752788 /nfs/dbraw/zinc/75/27/88/450752788.db2.gz AAVFBLUEJLLIOU-KDURUIRLSA-N 2 2 349.450 1.594 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592108 450752791 /nfs/dbraw/zinc/75/27/91/450752791.db2.gz AAVFBLUEJLLIOU-KDURUIRLSA-N 2 2 349.450 1.594 20 0 EDADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000624229114 450756064 /nfs/dbraw/zinc/75/60/64/450756064.db2.gz MHLFCFTVJOJTDO-QXAKKESOSA-N 2 2 333.476 1.105 20 0 EDADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000624229114 450756069 /nfs/dbraw/zinc/75/60/69/450756069.db2.gz MHLFCFTVJOJTDO-QXAKKESOSA-N 2 2 333.476 1.105 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629598974 450756903 /nfs/dbraw/zinc/75/69/03/450756903.db2.gz YXDDVLLSRWQBNG-BGYRXZFFSA-N 2 2 345.487 1.771 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629598974 450756908 /nfs/dbraw/zinc/75/69/08/450756908.db2.gz YXDDVLLSRWQBNG-BGYRXZFFSA-N 2 2 345.487 1.771 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629659818 450773454 /nfs/dbraw/zinc/77/34/54/450773454.db2.gz ICEMOAQQDNWTMR-ZFWWWQNUSA-N 2 2 335.448 1.440 20 0 EDADLP Cc1cc(NCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000624306526 450789660 /nfs/dbraw/zinc/78/96/60/450789660.db2.gz GUWSISHGAPIWGL-SHTZXODSSA-N 2 2 348.495 1.960 20 0 EDADLP C[C@H](C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000635258254 450789287 /nfs/dbraw/zinc/78/92/87/450789287.db2.gz SXQJWTHSSLNGQA-AEFFLSMTSA-N 2 2 332.492 1.432 20 0 EDADLP C[C@H](C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000635258254 450789292 /nfs/dbraw/zinc/78/92/92/450789292.db2.gz SXQJWTHSSLNGQA-AEFFLSMTSA-N 2 2 332.492 1.432 20 0 EDADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865920 450834503 /nfs/dbraw/zinc/83/45/03/450834503.db2.gz JCARLGQXZZXQAA-GOSISDBHSA-N 2 2 333.476 1.642 20 0 EDADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000624335236 450798688 /nfs/dbraw/zinc/79/86/88/450798688.db2.gz MHLFCFTVJOJTDO-NEWSRXKRSA-N 2 2 333.476 1.105 20 0 EDADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000624335236 450798690 /nfs/dbraw/zinc/79/86/90/450798690.db2.gz MHLFCFTVJOJTDO-NEWSRXKRSA-N 2 2 333.476 1.105 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888187 450850742 /nfs/dbraw/zinc/85/07/42/450850742.db2.gz WYBJKCQECWJYTI-NVXWUHKLSA-N 2 2 337.489 1.511 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888187 450850746 /nfs/dbraw/zinc/85/07/46/450850746.db2.gz WYBJKCQECWJYTI-NVXWUHKLSA-N 2 2 337.489 1.511 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000635400238 450907994 /nfs/dbraw/zinc/90/79/94/450907994.db2.gz AXYRMFHSPGXUKK-HNNXBMFYSA-N 2 2 341.415 1.556 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000635401388 450908918 /nfs/dbraw/zinc/90/89/18/450908918.db2.gz KHIIBDASVHJCSL-DGCLKSJQSA-N 2 2 330.354 1.977 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000635401388 450908921 /nfs/dbraw/zinc/90/89/21/450908921.db2.gz KHIIBDASVHJCSL-DGCLKSJQSA-N 2 2 330.354 1.977 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3cn[nH]c3)CC2)CC1 ZINC000630008404 450949307 /nfs/dbraw/zinc/94/93/07/450949307.db2.gz HSGROOHQHAATFI-UHFFFAOYSA-N 2 2 333.480 1.361 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3cn[nH]c3)CC2)CC1 ZINC000630008404 450949312 /nfs/dbraw/zinc/94/93/12/450949312.db2.gz HSGROOHQHAATFI-UHFFFAOYSA-N 2 2 333.480 1.361 20 0 EDADLP CC[N@H+](CCCNC(=O)NC1(C[NH3+])CCOCC1)c1ccccc1 ZINC000626924872 451008431 /nfs/dbraw/zinc/00/84/31/451008431.db2.gz FHQVFYQQDOTZML-UHFFFAOYSA-N 2 2 334.464 1.710 20 0 EDADLP CC[N@@H+](CCCNC(=O)NC1(C[NH3+])CCOCC1)c1ccccc1 ZINC000626924872 451008437 /nfs/dbraw/zinc/00/84/37/451008437.db2.gz FHQVFYQQDOTZML-UHFFFAOYSA-N 2 2 334.464 1.710 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000626926687 451009317 /nfs/dbraw/zinc/00/93/17/451009317.db2.gz MOOWHHMOZRBBHE-UHFFFAOYSA-N 2 2 345.447 1.309 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCOCCC[NH3+])c1cccc(F)c1 ZINC000626927475 451010513 /nfs/dbraw/zinc/01/05/13/451010513.db2.gz PAMXYMFCTHZNLY-OAHLLOKOSA-N 2 2 349.410 1.313 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000632086575 451024793 /nfs/dbraw/zinc/02/47/93/451024793.db2.gz FYEXQXRJWCDOHL-AWEZNQCLSA-N 2 2 326.466 1.405 20 0 EDADLP Cc1cn2ccc(C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2[nH+]1 ZINC000635502279 450996082 /nfs/dbraw/zinc/99/60/82/450996082.db2.gz CDHQFSDEKSZZBO-MRXNPFEDSA-N 2 2 330.432 1.826 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[NH+](CCCF)CC1 ZINC000627958895 451052009 /nfs/dbraw/zinc/05/20/09/451052009.db2.gz NLLQDAGVAMWQGM-UHFFFAOYSA-N 2 2 349.450 1.636 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](CCCF)CC1 ZINC000627961275 451054552 /nfs/dbraw/zinc/05/45/52/451054552.db2.gz OQNDYPULLWWOPT-INIZCTEOSA-N 2 2 327.444 1.134 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](CCCF)CC1 ZINC000627961275 451054556 /nfs/dbraw/zinc/05/45/56/451054556.db2.gz OQNDYPULLWWOPT-INIZCTEOSA-N 2 2 327.444 1.134 20 0 EDADLP C[C@@H](CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000635559441 451056971 /nfs/dbraw/zinc/05/69/71/451056971.db2.gz RTLJMLCNPHTGEK-STQMWFEESA-N 2 2 347.385 1.129 20 0 EDADLP CN(CCOCC[NH3+])C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000626996433 451061793 /nfs/dbraw/zinc/06/17/93/451061793.db2.gz UFGCHUNFXRNKSW-UHFFFAOYSA-N 2 2 345.447 1.243 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C(C)(C)C1 ZINC000628007680 451084890 /nfs/dbraw/zinc/08/48/90/451084890.db2.gz JTIWGIZDSVXLEB-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C(C)(C)C1 ZINC000628007680 451084892 /nfs/dbraw/zinc/08/48/92/451084892.db2.gz JTIWGIZDSVXLEB-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCCF)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627957399 451050868 /nfs/dbraw/zinc/05/08/68/451050868.db2.gz ZMBSMHSILZKTAW-BBWFWOEESA-N 2 2 343.487 1.624 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCCF)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627957399 451050871 /nfs/dbraw/zinc/05/08/71/451050871.db2.gz ZMBSMHSILZKTAW-BBWFWOEESA-N 2 2 343.487 1.624 20 0 EDADLP Cc1cc(NCCNC(=O)NC[C@@H]2CCCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000627065406 451109326 /nfs/dbraw/zinc/10/93/26/451109326.db2.gz GPIRQERBEDDEGD-AWEZNQCLSA-N 2 2 334.468 1.762 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@@H](C)CO1 ZINC000628061417 451112295 /nfs/dbraw/zinc/11/22/95/451112295.db2.gz IKDFHNAKFGAOTJ-PBWTXFEYSA-N 2 2 345.487 1.557 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@@H](C)CO1 ZINC000628061417 451112299 /nfs/dbraw/zinc/11/22/99/451112299.db2.gz IKDFHNAKFGAOTJ-PBWTXFEYSA-N 2 2 345.487 1.557 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@@H](C)CO1 ZINC000628061417 451112303 /nfs/dbraw/zinc/11/23/03/451112303.db2.gz IKDFHNAKFGAOTJ-PBWTXFEYSA-N 2 2 345.487 1.557 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@@H](C)CO1 ZINC000628061417 451112309 /nfs/dbraw/zinc/11/23/09/451112309.db2.gz IKDFHNAKFGAOTJ-PBWTXFEYSA-N 2 2 345.487 1.557 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cc2n1C ZINC000628122834 451144333 /nfs/dbraw/zinc/14/43/33/451144333.db2.gz PCJHOHHSTNSGCL-UHFFFAOYSA-N 2 2 342.443 1.819 20 0 EDADLP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000628233847 451188818 /nfs/dbraw/zinc/18/88/18/451188818.db2.gz YFZUOPUBKGHKQI-PKOBYXMFSA-N 2 2 345.487 1.621 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@]34C[C@@H]3COC4(C)C)c2)CC1 ZINC000634194157 451230364 /nfs/dbraw/zinc/23/03/64/451230364.db2.gz LNTOQYYMWYZYFC-FZKQIMNGSA-N 2 2 330.432 1.587 20 0 EDADLP Cc1ccn([C@@H](C)CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000634194058 451228935 /nfs/dbraw/zinc/22/89/35/451228935.db2.gz JEOKMPAQLMSIKS-HNNXBMFYSA-N 2 2 342.447 1.928 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COc3ccccc3)c2)CC1 ZINC000634198233 451234480 /nfs/dbraw/zinc/23/44/80/451234480.db2.gz OTUXDZNFPFRFJH-UHFFFAOYSA-N 2 2 326.400 1.851 20 0 EDADLP [NH3+]C[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCOC1 ZINC000638081742 451246420 /nfs/dbraw/zinc/24/64/20/451246420.db2.gz BSIKRVPZXHUVFV-KRWDZBQOSA-N 2 2 332.379 1.383 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000638087654 451251042 /nfs/dbraw/zinc/25/10/42/451251042.db2.gz DJPPKETYRJCTLT-UHFFFAOYSA-N 3 2 334.464 1.335 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)N3CC[NH2+]CC3=O)c2C1 ZINC000638089791 451256531 /nfs/dbraw/zinc/25/65/31/451256531.db2.gz SPYIKBWDKNFHEC-ZDUSSCGKSA-N 2 2 330.432 1.171 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)N3CC[NH2+]CC3=O)c2C1 ZINC000638089791 451256535 /nfs/dbraw/zinc/25/65/35/451256535.db2.gz SPYIKBWDKNFHEC-ZDUSSCGKSA-N 2 2 330.432 1.171 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638121178 451290446 /nfs/dbraw/zinc/29/04/46/451290446.db2.gz JZVBNKMSXYVLGZ-UHFFFAOYSA-N 2 2 341.415 1.328 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000638121885 451291780 /nfs/dbraw/zinc/29/17/80/451291780.db2.gz MTSIBQNJPHNUJW-GOSISDBHSA-N 2 2 349.475 1.134 20 0 EDADLP COc1cccc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000638145846 451319659 /nfs/dbraw/zinc/31/96/59/451319659.db2.gz LYILKJXPLONPKC-KRWDZBQOSA-N 2 2 331.460 1.742 20 0 EDADLP COc1cccc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000638145846 451319662 /nfs/dbraw/zinc/31/96/62/451319662.db2.gz LYILKJXPLONPKC-KRWDZBQOSA-N 2 2 331.460 1.742 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638278175 451396162 /nfs/dbraw/zinc/39/61/62/451396162.db2.gz GJTZHHQONOKCAZ-CQSZACIVSA-N 2 2 329.391 1.690 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638278175 451396167 /nfs/dbraw/zinc/39/61/67/451396167.db2.gz GJTZHHQONOKCAZ-CQSZACIVSA-N 2 2 329.391 1.690 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000638278755 451397766 /nfs/dbraw/zinc/39/77/66/451397766.db2.gz VHSXSPMPJIWTDO-ZDUSSCGKSA-N 2 2 343.406 1.593 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000638290384 451406321 /nfs/dbraw/zinc/40/63/21/451406321.db2.gz RMKDDFWSBZIINY-WMLDXEAASA-N 2 2 326.400 1.485 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000635972683 451407908 /nfs/dbraw/zinc/40/79/08/451407908.db2.gz POGKIPZZKZAWSI-QUCCMNQESA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000635972683 451407910 /nfs/dbraw/zinc/40/79/10/451407910.db2.gz POGKIPZZKZAWSI-QUCCMNQESA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000635972683 451407911 /nfs/dbraw/zinc/40/79/11/451407911.db2.gz POGKIPZZKZAWSI-QUCCMNQESA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000635972683 451407915 /nfs/dbraw/zinc/40/79/15/451407915.db2.gz POGKIPZZKZAWSI-QUCCMNQESA-N 2 2 343.471 1.824 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638305600 451420356 /nfs/dbraw/zinc/42/03/56/451420356.db2.gz CGADEVDWFMJXEW-SFHVURJKSA-N 2 2 336.480 1.843 20 0 EDADLP CC[N@H+](Cc1cnn(C)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634643631 451437088 /nfs/dbraw/zinc/43/70/88/451437088.db2.gz FTOALWYEDYTYFA-IBGZPJMESA-N 2 2 328.460 1.879 20 0 EDADLP CC[N@@H+](Cc1cnn(C)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634643631 451437093 /nfs/dbraw/zinc/43/70/93/451437093.db2.gz FTOALWYEDYTYFA-IBGZPJMESA-N 2 2 328.460 1.879 20 0 EDADLP CC[NH+](Cc1cnn(C)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634643631 451437102 /nfs/dbraw/zinc/43/71/02/451437102.db2.gz FTOALWYEDYTYFA-IBGZPJMESA-N 2 2 328.460 1.879 20 0 EDADLP CC[NH+](Cc1cnn(C)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643631 451437105 /nfs/dbraw/zinc/43/71/05/451437105.db2.gz FTOALWYEDYTYFA-IBGZPJMESA-N 2 2 328.460 1.879 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CCCC[NH2+]1 ZINC000638407258 451494999 /nfs/dbraw/zinc/49/49/99/451494999.db2.gz PYWIDIWJRHOCNR-GOSISDBHSA-N 2 2 332.448 1.457 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)cc1 ZINC000636066446 451482850 /nfs/dbraw/zinc/48/28/50/451482850.db2.gz UEHAOFXQATWUAB-QXAKKESOSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)cc1 ZINC000636066446 451482854 /nfs/dbraw/zinc/48/28/54/451482854.db2.gz UEHAOFXQATWUAB-QXAKKESOSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000636066446 451482860 /nfs/dbraw/zinc/48/28/60/451482860.db2.gz UEHAOFXQATWUAB-QXAKKESOSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000636066446 451482865 /nfs/dbraw/zinc/48/28/65/451482865.db2.gz UEHAOFXQATWUAB-QXAKKESOSA-N 2 2 343.471 1.822 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H](C3CC[NH2+]CC3)C1)CC2 ZINC000638401751 451490913 /nfs/dbraw/zinc/49/09/13/451490913.db2.gz WUDLPRFVXZMLKM-IRXDYDNUSA-N 2 2 330.476 1.992 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000638341225 451444752 /nfs/dbraw/zinc/44/47/52/451444752.db2.gz VRLPTKUUCAFPMA-UHFFFAOYSA-N 2 2 343.431 1.183 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)n1cc[nH+]c1 ZINC000638342314 451446258 /nfs/dbraw/zinc/44/62/58/451446258.db2.gz PSWHEHZKGGETHI-JKSUJKDBSA-N 2 2 345.451 1.384 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC(C)(C)C(C)(C)O)C2)CC1 ZINC000636791747 451511830 /nfs/dbraw/zinc/51/18/30/451511830.db2.gz LHBXXAPRQHDIHG-CYBMUJFWSA-N 2 2 326.485 1.004 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC(C)(C)C(C)(C)O)C2)CC1 ZINC000636791747 451511835 /nfs/dbraw/zinc/51/18/35/451511835.db2.gz LHBXXAPRQHDIHG-CYBMUJFWSA-N 2 2 326.485 1.004 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H]4C[NH2+]CC[C@@H]43)nc[nH+]2)C1 ZINC000634813043 451567008 /nfs/dbraw/zinc/56/70/08/451567008.db2.gz XMQRJHDMCVMCOH-PMPSAXMXSA-N 2 2 331.464 1.264 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H]4C[NH2+]CC[C@@H]43)[nH+]cn2)C1 ZINC000634813043 451567014 /nfs/dbraw/zinc/56/70/14/451567014.db2.gz XMQRJHDMCVMCOH-PMPSAXMXSA-N 2 2 331.464 1.264 20 0 EDADLP FC(F)c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000631073408 451568266 /nfs/dbraw/zinc/56/82/66/451568266.db2.gz MQDDRHJLQWXMCQ-HNNXBMFYSA-N 2 2 340.418 1.515 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CC[NH2+]CC(C)(C)C3)[nH+]cn2)C1 ZINC000634813546 451568254 /nfs/dbraw/zinc/56/82/54/451568254.db2.gz ONRLABFNYBASTE-ZNMIVQPWSA-N 2 2 333.480 1.874 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CC[NH2+]CC(C)(C)C3)nc[nH+]2)C1 ZINC000634813546 451568260 /nfs/dbraw/zinc/56/82/60/451568260.db2.gz ONRLABFNYBASTE-ZNMIVQPWSA-N 2 2 333.480 1.874 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631087774 451576304 /nfs/dbraw/zinc/57/63/04/451576304.db2.gz FSGHEVBBPTZVSP-YGRLFVJLSA-N 2 2 343.880 1.560 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631087774 451576310 /nfs/dbraw/zinc/57/63/10/451576310.db2.gz FSGHEVBBPTZVSP-YGRLFVJLSA-N 2 2 343.880 1.560 20 0 EDADLP CN(C)c1[nH]c2ccc(NC(=O)c3cnn(CC[NH+](C)C)c3)cc2[nH+]1 ZINC000632781302 451577848 /nfs/dbraw/zinc/57/78/48/451577848.db2.gz FQWSBIFONHEJPF-UHFFFAOYSA-N 2 2 341.419 1.639 20 0 EDADLP Cc1nc2ccccc2nc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638570548 451582598 /nfs/dbraw/zinc/58/25/98/451582598.db2.gz CYOHPLMIRDPTBF-OAHLLOKOSA-N 2 2 341.459 1.615 20 0 EDADLP Cc1nc2ccccc2nc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638570548 451582602 /nfs/dbraw/zinc/58/26/02/451582602.db2.gz CYOHPLMIRDPTBF-OAHLLOKOSA-N 2 2 341.459 1.615 20 0 EDADLP CNC(=O)[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(C)C ZINC000631098004 451583210 /nfs/dbraw/zinc/58/32/10/451583210.db2.gz JSYDZSAJQQRGQG-SFHVURJKSA-N 2 2 349.475 1.258 20 0 EDADLP C[NH2+]CCOCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000638578870 451587429 /nfs/dbraw/zinc/58/74/29/451587429.db2.gz UAFDPILNFAAENJ-INIZCTEOSA-N 2 2 337.489 1.129 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000638581346 451588153 /nfs/dbraw/zinc/58/81/53/451588153.db2.gz BKUGSQKPFDISGW-CQSZACIVSA-N 2 2 329.510 1.311 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000638581346 451588160 /nfs/dbraw/zinc/58/81/60/451588160.db2.gz BKUGSQKPFDISGW-CQSZACIVSA-N 2 2 329.510 1.311 20 0 EDADLP Cc1cc(NCCNC(=O)C2([NH2+]C3CC3)CCC2)nc(C(C)C)[nH+]1 ZINC000638583752 451589203 /nfs/dbraw/zinc/58/92/03/451589203.db2.gz DUWGQUGNDRUOST-UHFFFAOYSA-N 2 2 331.464 2.111 20 0 EDADLP Cc1cc(NCCNC(=O)c2ccc3c(c2)C[NH2+]C3)nc(C(C)C)[nH+]1 ZINC000638582668 451589575 /nfs/dbraw/zinc/58/95/75/451589575.db2.gz BHKGJVNACIKZIS-UHFFFAOYSA-N 2 2 339.443 2.354 20 0 EDADLP CO[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000638599942 451598003 /nfs/dbraw/zinc/59/80/03/451598003.db2.gz VERVNSKYGRCWCQ-VQTJNVASSA-N 2 2 347.503 1.240 20 0 EDADLP CCN1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1=O ZINC000631152682 451612648 /nfs/dbraw/zinc/61/26/48/451612648.db2.gz XLXFIHYXOSNBBS-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP COCCc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000631091431 451578633 /nfs/dbraw/zinc/57/86/33/451578633.db2.gz MOXIDXBXHBLPTO-CVEARBPZSA-N 2 2 339.505 1.799 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000638633152 451621427 /nfs/dbraw/zinc/62/14/27/451621427.db2.gz SWCPHIXQTYBICB-HNNXBMFYSA-N 2 2 329.448 1.096 20 0 EDADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000635017533 451651773 /nfs/dbraw/zinc/65/17/73/451651773.db2.gz DZFHUVWZUNCCAB-YUTCNCBUSA-N 2 2 327.354 1.930 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000638686392 451653965 /nfs/dbraw/zinc/65/39/65/451653965.db2.gz KQQUFDDLQOOYIC-CVEARBPZSA-N 2 2 332.473 1.819 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000638686392 451653969 /nfs/dbraw/zinc/65/39/69/451653969.db2.gz KQQUFDDLQOOYIC-CVEARBPZSA-N 2 2 332.473 1.819 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCn4nccc43)cn2)CC1 ZINC000631302310 451687450 /nfs/dbraw/zinc/68/74/50/451687450.db2.gz ZDTQXDZCAUQPIY-OAHLLOKOSA-N 2 2 327.436 1.050 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637032403 451689227 /nfs/dbraw/zinc/68/92/27/451689227.db2.gz AEIMVPXMKKUSAZ-RRFJBIMHSA-N 2 2 331.464 1.760 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000637032403 451689231 /nfs/dbraw/zinc/68/92/31/451689231.db2.gz AEIMVPXMKKUSAZ-RRFJBIMHSA-N 2 2 331.464 1.760 20 0 EDADLP CO[C@H](CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)[C@@H]1CCOC1 ZINC000638790081 451692813 /nfs/dbraw/zinc/69/28/13/451692813.db2.gz OYCPGEWRYPCUFD-DJIMGWMZSA-N 2 2 334.464 1.685 20 0 EDADLP C[C@@H]1C[C@@H]1c1noc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631365758 451713002 /nfs/dbraw/zinc/71/30/02/451713002.db2.gz VPXVFLFBNPDBBO-SNPRPXQTSA-N 2 2 347.463 1.434 20 0 EDADLP C[C@@H]1C[C@@H]1c1noc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631365758 451713006 /nfs/dbraw/zinc/71/30/06/451713006.db2.gz VPXVFLFBNPDBBO-SNPRPXQTSA-N 2 2 347.463 1.434 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)Cc1ccccc1 ZINC000636472096 451725126 /nfs/dbraw/zinc/72/51/26/451725126.db2.gz VHJTUGHLLBPCFG-HZPDHXFCSA-N 2 2 327.432 1.280 20 0 EDADLP CCc1ccc([C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000636474357 451726891 /nfs/dbraw/zinc/72/68/91/451726891.db2.gz UGSGOHRLZGWOGB-SJLPKXTDSA-N 2 2 341.459 1.972 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000638934772 451739188 /nfs/dbraw/zinc/73/91/88/451739188.db2.gz KDVPVEQMHJVBSR-DZGCQCFKSA-N 2 2 341.415 1.474 20 0 EDADLP CC(C)Oc1cc[nH+]c(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)c1 ZINC000641197666 451776873 /nfs/dbraw/zinc/77/68/73/451776873.db2.gz CPQQHGOXLRLCCX-INIZCTEOSA-N 2 2 331.420 1.465 20 0 EDADLP CC(C)Oc1cc[nH+]c(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)c1 ZINC000641197666 451776874 /nfs/dbraw/zinc/77/68/74/451776874.db2.gz CPQQHGOXLRLCCX-INIZCTEOSA-N 2 2 331.420 1.465 20 0 EDADLP COc1ccc(OC)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638987288 451748285 /nfs/dbraw/zinc/74/82/85/451748285.db2.gz OMJZTCXHXKUOAB-UHFFFAOYSA-N 2 2 342.399 1.761 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639019080 451752631 /nfs/dbraw/zinc/75/26/31/451752631.db2.gz BZGPNRPSYNVQOP-UPJWGTAASA-N 2 2 330.354 1.977 20 0 EDADLP CN(C)c1ccc(Cn2cc(C[C@@H]([NH3+])Cc3ccccc3)nn2)c[nH+]1 ZINC000641178428 451770390 /nfs/dbraw/zinc/77/03/90/451770390.db2.gz WBIMRBPYKDKIRE-KRWDZBQOSA-N 2 2 336.443 1.900 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000637411476 451839357 /nfs/dbraw/zinc/83/93/57/451839357.db2.gz OEOMIBLZUBYSSS-UHFFFAOYSA-N 2 2 348.495 2.058 20 0 EDADLP CC[N@H+]1CCCN(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000637411476 451839363 /nfs/dbraw/zinc/83/93/63/451839363.db2.gz OEOMIBLZUBYSSS-UHFFFAOYSA-N 2 2 348.495 2.058 20 0 EDADLP C[N@@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000641261603 451797441 /nfs/dbraw/zinc/79/74/41/451797441.db2.gz ZODQTZVFSLOOLE-MRXNPFEDSA-N 2 2 334.445 1.202 20 0 EDADLP C[N@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000641261603 451797442 /nfs/dbraw/zinc/79/74/42/451797442.db2.gz ZODQTZVFSLOOLE-MRXNPFEDSA-N 2 2 334.445 1.202 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H](C)C1O ZINC000639314415 451822116 /nfs/dbraw/zinc/82/21/16/451822116.db2.gz KCCCXGXCSXWITQ-IAGOWNOFSA-N 2 2 348.487 1.846 20 0 EDADLP CO[C@]1(C[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CCOC1 ZINC000639328376 451827857 /nfs/dbraw/zinc/82/78/57/451827857.db2.gz WJIJFCZLGASREK-OALUTQOASA-N 2 2 333.476 1.198 20 0 EDADLP CO[C@]1(C[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCOC1 ZINC000639328376 451827865 /nfs/dbraw/zinc/82/78/65/451827865.db2.gz WJIJFCZLGASREK-OALUTQOASA-N 2 2 333.476 1.198 20 0 EDADLP CN(CCC[NH3+])C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000646782166 451836775 /nfs/dbraw/zinc/83/67/75/451836775.db2.gz ISGOBVAETDCXFC-UHFFFAOYSA-N 2 2 329.404 1.333 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000641323965 451847007 /nfs/dbraw/zinc/84/70/07/451847007.db2.gz LCHSCMSJRKYPCQ-OAHLLOKOSA-N 2 2 337.489 1.389 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000641323965 451847013 /nfs/dbraw/zinc/84/70/13/451847013.db2.gz LCHSCMSJRKYPCQ-OAHLLOKOSA-N 2 2 337.489 1.389 20 0 EDADLP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000649123928 451859246 /nfs/dbraw/zinc/85/92/46/451859246.db2.gz QACCLAUUQQRGKX-ROUUACIJSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000649123928 451859250 /nfs/dbraw/zinc/85/92/50/451859250.db2.gz QACCLAUUQQRGKX-ROUUACIJSA-N 2 2 335.492 1.717 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000637444842 451859543 /nfs/dbraw/zinc/85/95/43/451859543.db2.gz HKNOKLZOJSCZSU-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000637444842 451859551 /nfs/dbraw/zinc/85/95/51/451859551.db2.gz HKNOKLZOJSCZSU-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2COCC[NH+]2C)CC1 ZINC000637446339 451861744 /nfs/dbraw/zinc/86/17/44/451861744.db2.gz QGDKRQPBMZEZAL-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2COCC[NH+]2C)CC1 ZINC000637446339 451861750 /nfs/dbraw/zinc/86/17/50/451861750.db2.gz QGDKRQPBMZEZAL-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637446339 451861755 /nfs/dbraw/zinc/86/17/55/451861755.db2.gz QGDKRQPBMZEZAL-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637446339 451861758 /nfs/dbraw/zinc/86/17/58/451861758.db2.gz QGDKRQPBMZEZAL-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000644572201 451868524 /nfs/dbraw/zinc/86/85/24/451868524.db2.gz UABYXDJTLQSFPO-AEFFLSMTSA-N 2 2 336.476 1.601 20 0 EDADLP Cc1ccc(O[C@H](C)C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000644577601 451870953 /nfs/dbraw/zinc/87/09/53/451870953.db2.gz ZZWQFRMBXKDDSZ-ZJPYXAASSA-N 2 2 336.476 1.822 20 0 EDADLP Cc1ccc(O[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000644577601 451870958 /nfs/dbraw/zinc/87/09/58/451870958.db2.gz ZZWQFRMBXKDDSZ-ZJPYXAASSA-N 2 2 336.476 1.822 20 0 EDADLP CC[N@H+](CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)Cc1ccccc1Cl ZINC000646853474 451890163 /nfs/dbraw/zinc/89/01/63/451890163.db2.gz GUGRDYWSACDIDO-BBRMVZONSA-N 2 2 339.867 1.737 20 0 EDADLP CC[N@@H+](CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)Cc1ccccc1Cl ZINC000646853474 451890175 /nfs/dbraw/zinc/89/01/75/451890175.db2.gz GUGRDYWSACDIDO-BBRMVZONSA-N 2 2 339.867 1.737 20 0 EDADLP CO[C@](C)(C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000644659164 451922408 /nfs/dbraw/zinc/92/24/08/451922408.db2.gz QFBNZMJUKVRTIO-UKBAYJJMSA-N 2 2 336.476 1.608 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641399335 451936937 /nfs/dbraw/zinc/93/69/37/451936937.db2.gz RHMANZKODLYDSB-GUYCJALGSA-N 2 2 349.500 1.436 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641399335 451936946 /nfs/dbraw/zinc/93/69/46/451936946.db2.gz RHMANZKODLYDSB-GUYCJALGSA-N 2 2 349.500 1.436 20 0 EDADLP C[C@H]1C[NH+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641399335 451936955 /nfs/dbraw/zinc/93/69/55/451936955.db2.gz RHMANZKODLYDSB-GUYCJALGSA-N 2 2 349.500 1.436 20 0 EDADLP C[C@H]1C[NH+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641399335 451936962 /nfs/dbraw/zinc/93/69/62/451936962.db2.gz RHMANZKODLYDSB-GUYCJALGSA-N 2 2 349.500 1.436 20 0 EDADLP C[N@@H+]1CC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000641398750 451937141 /nfs/dbraw/zinc/93/71/41/451937141.db2.gz KFEBWDSUKITIAH-HOTGVXAUSA-N 2 2 334.445 1.248 20 0 EDADLP C[N@H+]1CC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000641398750 451937146 /nfs/dbraw/zinc/93/71/46/451937146.db2.gz KFEBWDSUKITIAH-HOTGVXAUSA-N 2 2 334.445 1.248 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000644695035 451941124 /nfs/dbraw/zinc/94/11/24/451941124.db2.gz XKNVLPPMLADSED-NVXWUHKLSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000644695035 451941127 /nfs/dbraw/zinc/94/11/27/451941127.db2.gz XKNVLPPMLADSED-NVXWUHKLSA-N 2 2 340.427 1.651 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000649281044 451952318 /nfs/dbraw/zinc/95/23/18/451952318.db2.gz COCODRQOAYJCOJ-HNNXBMFYSA-N 2 2 335.473 1.310 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000637582703 451957222 /nfs/dbraw/zinc/95/72/22/451957222.db2.gz MLZFFPOWYKVIGV-MSOLQXFVSA-N 2 2 348.491 1.699 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000637582703 451957227 /nfs/dbraw/zinc/95/72/27/451957227.db2.gz MLZFFPOWYKVIGV-MSOLQXFVSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1nocc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000637616896 451974404 /nfs/dbraw/zinc/97/44/04/451974404.db2.gz OZCOHTKGIYTKHJ-SJPCQFCGSA-N 2 2 347.463 1.435 20 0 EDADLP Cc1nocc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000637616896 451974410 /nfs/dbraw/zinc/97/44/10/451974410.db2.gz OZCOHTKGIYTKHJ-SJPCQFCGSA-N 2 2 347.463 1.435 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000653493266 451981445 /nfs/dbraw/zinc/98/14/45/451981445.db2.gz PYHPWDRNHMOORK-UHFFFAOYSA-N 2 2 325.403 1.603 20 0 EDADLP CC(C)([NH3+])CCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000649308972 451986261 /nfs/dbraw/zinc/98/62/61/451986261.db2.gz LCISGAYIAYFLKY-UHFFFAOYSA-N 2 2 349.475 1.531 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CCO1 ZINC000649312285 451990132 /nfs/dbraw/zinc/99/01/32/451990132.db2.gz FJSJEOCHHZJBKI-MRXNPFEDSA-N 2 2 331.460 1.145 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CCO1 ZINC000649312285 451990135 /nfs/dbraw/zinc/99/01/35/451990135.db2.gz FJSJEOCHHZJBKI-MRXNPFEDSA-N 2 2 331.460 1.145 20 0 EDADLP CC(C)n1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644795822 451994564 /nfs/dbraw/zinc/99/45/64/451994564.db2.gz UPTANCMBAKTIQP-OAHLLOKOSA-N 2 2 334.468 1.100 20 0 EDADLP CC(C)n1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644795822 451994568 /nfs/dbraw/zinc/99/45/68/451994568.db2.gz UPTANCMBAKTIQP-OAHLLOKOSA-N 2 2 334.468 1.100 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649330802 452012382 /nfs/dbraw/zinc/01/23/82/452012382.db2.gz YFABSMXMCWKLSU-SKNMWMDOSA-N 2 2 335.398 1.796 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649330802 452012385 /nfs/dbraw/zinc/01/23/85/452012385.db2.gz YFABSMXMCWKLSU-SKNMWMDOSA-N 2 2 335.398 1.796 20 0 EDADLP CC(=O)N1CC[C@@]([NH3+])(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000649334267 452015179 /nfs/dbraw/zinc/01/51/79/452015179.db2.gz YPSCKDJWCZFPEG-SFHVURJKSA-N 2 2 340.383 1.762 20 0 EDADLP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705182 452043077 /nfs/dbraw/zinc/04/30/77/452043077.db2.gz TZJFDSRDUOYTIF-KRWDZBQOSA-N 2 2 328.391 1.959 20 0 EDADLP CC(C)c1n[nH]c(CC2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000639716095 452056482 /nfs/dbraw/zinc/05/64/82/452056482.db2.gz IOZVGSMVRKFRHM-INIZCTEOSA-N 2 2 335.496 1.638 20 0 EDADLP CC(C)c1n[nH]c(CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000639716095 452056496 /nfs/dbraw/zinc/05/64/96/452056496.db2.gz IOZVGSMVRKFRHM-INIZCTEOSA-N 2 2 335.496 1.638 20 0 EDADLP CC(C)c1nnc(CC2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)[nH]1 ZINC000639716095 452056503 /nfs/dbraw/zinc/05/65/03/452056503.db2.gz IOZVGSMVRKFRHM-INIZCTEOSA-N 2 2 335.496 1.638 20 0 EDADLP CC(C)c1nnc(CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)[nH]1 ZINC000639716095 452056511 /nfs/dbraw/zinc/05/65/11/452056511.db2.gz IOZVGSMVRKFRHM-INIZCTEOSA-N 2 2 335.496 1.638 20 0 EDADLP Cn1cc(-c2nc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)cs2)cn1 ZINC000653646074 452057896 /nfs/dbraw/zinc/05/78/96/452057896.db2.gz QGOUZZLZFQSJDN-UHFFFAOYSA-N 2 2 329.433 1.589 20 0 EDADLP Cc1nc(N(C)C[C@@H]2CCC[N@@H+]2C)cc(N(C)C[C@@H]2CCC[NH+]2C)[nH+]1 ZINC000643197878 452063993 /nfs/dbraw/zinc/06/39/93/452063993.db2.gz OLQCOTVYZTWHGC-IRXDYDNUSA-N 3 2 346.523 1.846 20 0 EDADLP Cc1nc(N(C)C[C@@H]2CCC[N@H+]2C)cc(N(C)C[C@@H]2CCC[NH+]2C)[nH+]1 ZINC000643197878 452064001 /nfs/dbraw/zinc/06/40/01/452064001.db2.gz OLQCOTVYZTWHGC-IRXDYDNUSA-N 3 2 346.523 1.846 20 0 EDADLP Cc1nc(N(C)C[C@@H]2CCC[NH+]2C)cc(N(C)C[C@@H]2CCC[N@@H+]2C)[nH+]1 ZINC000643197878 452064011 /nfs/dbraw/zinc/06/40/11/452064011.db2.gz OLQCOTVYZTWHGC-IRXDYDNUSA-N 3 2 346.523 1.846 20 0 EDADLP Cc1nc(N(C)C[C@@H]2CCC[NH+]2C)cc(N(C)C[C@@H]2CCC[N@H+]2C)[nH+]1 ZINC000643197878 452064018 /nfs/dbraw/zinc/06/40/18/452064018.db2.gz OLQCOTVYZTWHGC-IRXDYDNUSA-N 3 2 346.523 1.846 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)c1ccccc1 ZINC000637800158 452088898 /nfs/dbraw/zinc/08/88/98/452088898.db2.gz ZKHOZUXFLRYPPI-NVXWUHKLSA-N 2 2 346.475 1.006 20 0 EDADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762467 452100346 /nfs/dbraw/zinc/10/03/46/452100346.db2.gz MHRJMHUIKPWPDO-ICSRJNTNSA-N 2 2 347.503 1.985 20 0 EDADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762467 452100354 /nfs/dbraw/zinc/10/03/54/452100354.db2.gz MHRJMHUIKPWPDO-ICSRJNTNSA-N 2 2 347.503 1.985 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639763335 452103712 /nfs/dbraw/zinc/10/37/12/452103712.db2.gz CHXAISAIJQFLJH-MJGOQNOKSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639763335 452103718 /nfs/dbraw/zinc/10/37/18/452103718.db2.gz CHXAISAIJQFLJH-MJGOQNOKSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767550 452109378 /nfs/dbraw/zinc/10/93/78/452109378.db2.gz UYUGHYFJLJJENW-IBGZPJMESA-N 2 2 333.476 1.342 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767550 452109385 /nfs/dbraw/zinc/10/93/85/452109385.db2.gz UYUGHYFJLJJENW-IBGZPJMESA-N 2 2 333.476 1.342 20 0 EDADLP CC(C)[C@H]1CN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC[NH2+]1 ZINC000641622688 452142937 /nfs/dbraw/zinc/14/29/37/452142937.db2.gz ZINKDAPWIAKGTI-MRXNPFEDSA-N 2 2 337.489 1.293 20 0 EDADLP CC(C)[C@H]1CN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC[NH2+]1 ZINC000641622688 452142942 /nfs/dbraw/zinc/14/29/42/452142942.db2.gz ZINKDAPWIAKGTI-MRXNPFEDSA-N 2 2 337.489 1.293 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CCn2ccccc2=O)C1 ZINC000649615158 452168691 /nfs/dbraw/zinc/16/86/91/452168691.db2.gz DIYQVSFAANERKL-HNNXBMFYSA-N 2 2 328.416 1.463 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CCn2ccccc2=O)C1 ZINC000649615158 452168701 /nfs/dbraw/zinc/16/87/01/452168701.db2.gz DIYQVSFAANERKL-HNNXBMFYSA-N 2 2 328.416 1.463 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C3CCS(=O)(=O)CC3)cn21 ZINC000647364358 452190159 /nfs/dbraw/zinc/19/01/59/452190159.db2.gz YUCAPAQZMHDABL-AWEZNQCLSA-N 2 2 335.473 1.988 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1(C)C ZINC000641751389 452236017 /nfs/dbraw/zinc/23/60/17/452236017.db2.gz WRCDXZAUQJPAHI-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1(C)C ZINC000641751389 452236021 /nfs/dbraw/zinc/23/60/21/452236021.db2.gz WRCDXZAUQJPAHI-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000641770422 452244570 /nfs/dbraw/zinc/24/45/70/452244570.db2.gz REKOAALIKKPUEP-AWEZNQCLSA-N 2 2 337.489 1.782 20 0 EDADLP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786624 452259540 /nfs/dbraw/zinc/25/95/40/452259540.db2.gz LZAPSXCZJFAFJE-AEFFLSMTSA-N 2 2 347.507 1.184 20 0 EDADLP Cc1ncc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000641786213 452261297 /nfs/dbraw/zinc/26/12/97/452261297.db2.gz JIZGHVDTCQLZCA-WMZOPIPTSA-N 2 2 347.507 1.541 20 0 EDADLP c1ccc2oc(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)nc2c1 ZINC000641787560 452263514 /nfs/dbraw/zinc/26/35/14/452263514.db2.gz VGZURDMXEGEIAE-MRXNPFEDSA-N 2 2 344.459 1.714 20 0 EDADLP COc1ccc(-c2ccncc2)cc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000647539594 452272331 /nfs/dbraw/zinc/27/23/31/452272331.db2.gz VCFVPJRHIREHQQ-SFHVURJKSA-N 2 2 326.444 1.832 20 0 EDADLP COc1ccc(-c2ccncc2)cc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000647539594 452272341 /nfs/dbraw/zinc/27/23/41/452272341.db2.gz VCFVPJRHIREHQQ-SFHVURJKSA-N 2 2 326.444 1.832 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)NCC12CC(C1)C[NH2+]2 ZINC000659430127 452274107 /nfs/dbraw/zinc/27/41/07/452274107.db2.gz ASHIVNNDFMVOFG-UHFFFAOYSA-N 2 2 344.459 1.070 20 0 EDADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1C ZINC000641804078 452281320 /nfs/dbraw/zinc/28/13/20/452281320.db2.gz AKZDRTBZTHQIAP-MGPQQGTHSA-N 2 2 341.477 1.161 20 0 EDADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1C ZINC000641804078 452281331 /nfs/dbraw/zinc/28/13/31/452281331.db2.gz AKZDRTBZTHQIAP-MGPQQGTHSA-N 2 2 341.477 1.161 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CC2([NH3+])CCC2)cc1 ZINC000645317029 452294942 /nfs/dbraw/zinc/29/49/42/452294942.db2.gz QCGORBIQEVAOLJ-KRWDZBQOSA-N 2 2 331.460 1.756 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000638052038 452326728 /nfs/dbraw/zinc/32/67/28/452326728.db2.gz VPXHPPDNENFUBL-IEBWSBKVSA-N 2 2 331.460 1.406 20 0 EDADLP CO[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002294 452336009 /nfs/dbraw/zinc/33/60/09/452336009.db2.gz XLKKLKFNZNFPKM-UFYCRDLUSA-N 2 2 348.487 1.749 20 0 EDADLP CO[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002294 452336017 /nfs/dbraw/zinc/33/60/17/452336017.db2.gz XLKKLKFNZNFPKM-UFYCRDLUSA-N 2 2 348.487 1.749 20 0 EDADLP CO[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002294 452336026 /nfs/dbraw/zinc/33/60/26/452336026.db2.gz XLKKLKFNZNFPKM-UFYCRDLUSA-N 2 2 348.487 1.749 20 0 EDADLP CO[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002294 452336034 /nfs/dbraw/zinc/33/60/34/452336034.db2.gz XLKKLKFNZNFPKM-UFYCRDLUSA-N 2 2 348.487 1.749 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC/C=C/C[NH3+] ZINC000641870725 452336177 /nfs/dbraw/zinc/33/61/77/452336177.db2.gz ZLEDKPHTGRHFCQ-GQCTYLIASA-N 2 2 331.464 1.844 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+](CC4CC4)CC3)cc2[nH+]1 ZINC000657576610 452343691 /nfs/dbraw/zinc/34/36/91/452343691.db2.gz BUUWNKIMFZJMGY-UHFFFAOYSA-N 2 2 341.415 1.135 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@H]1C ZINC000645371038 452349111 /nfs/dbraw/zinc/34/91/11/452349111.db2.gz NXENSIPZLPRWHH-CYBMUJFWSA-N 2 2 329.404 1.134 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@H]1C ZINC000645371038 452349121 /nfs/dbraw/zinc/34/91/21/452349121.db2.gz NXENSIPZLPRWHH-CYBMUJFWSA-N 2 2 329.404 1.134 20 0 EDADLP COC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCC[NH2+]1 ZINC000638059473 452349356 /nfs/dbraw/zinc/34/93/56/452349356.db2.gz GHHDXRPCBAAHOL-LJQANCHMSA-N 2 2 346.475 1.847 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)[NH+](C)C ZINC000638060841 452351374 /nfs/dbraw/zinc/35/13/74/452351374.db2.gz SKGRZHICQGTLRC-QZTJIDSGSA-N 2 2 334.508 1.538 20 0 EDADLP [NH3+]Cc1ncc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC000638061922 452355695 /nfs/dbraw/zinc/35/56/95/452355695.db2.gz NLJYYRVJDPVSCV-UHFFFAOYSA-N 2 2 326.404 1.251 20 0 EDADLP CC(C)c1nc(N2CCOC3(CC[NH+](C)CC3)C2)nc(N(C)C)[nH+]1 ZINC000645385711 452360701 /nfs/dbraw/zinc/36/07/01/452360701.db2.gz NYBMIACNNHBFPH-UHFFFAOYSA-N 2 2 334.468 1.362 20 0 EDADLP C[C@@H]1C[C@H](N(C)Cc2c[nH+]c(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000638063277 452361655 /nfs/dbraw/zinc/36/16/55/452361655.db2.gz CGXOAPIMZGDQOI-RHSMWYFYSA-N 2 2 340.475 1.787 20 0 EDADLP C[C@@H]1C[C@H](N(C)Cc2c[nH+]c(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000638063277 452361667 /nfs/dbraw/zinc/36/16/67/452361667.db2.gz CGXOAPIMZGDQOI-RHSMWYFYSA-N 2 2 340.475 1.787 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000638063277 452361680 /nfs/dbraw/zinc/36/16/80/452361680.db2.gz CGXOAPIMZGDQOI-RHSMWYFYSA-N 2 2 340.475 1.787 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000638063277 452361688 /nfs/dbraw/zinc/36/16/88/452361688.db2.gz CGXOAPIMZGDQOI-RHSMWYFYSA-N 2 2 340.475 1.787 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(N)nc2N)CC[NH+]1Cc1ccccc1 ZINC000638063277 452361696 /nfs/dbraw/zinc/36/16/96/452361696.db2.gz CGXOAPIMZGDQOI-RHSMWYFYSA-N 2 2 340.475 1.787 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N)nc2N)CC[NH+]1Cc1ccccc1 ZINC000638063277 452361707 /nfs/dbraw/zinc/36/17/07/452361707.db2.gz CGXOAPIMZGDQOI-RHSMWYFYSA-N 2 2 340.475 1.787 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000638074728 452386129 /nfs/dbraw/zinc/38/61/29/452386129.db2.gz AKEGTGHQDJOMLC-HOCLYGCPSA-N 2 2 328.416 1.694 20 0 EDADLP COC[C@]1(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)CCC[NH2+]1 ZINC000659543689 452403380 /nfs/dbraw/zinc/40/33/80/452403380.db2.gz ZAULGPVUSBOUPC-GOSISDBHSA-N 2 2 347.463 1.250 20 0 EDADLP C[C@@H]1C[C@H](Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000663705578 452445487 /nfs/dbraw/zinc/44/54/87/452445487.db2.gz XUVRKSFWRXEYBZ-KGLIPLIRSA-N 2 2 331.464 1.865 20 0 EDADLP C[C@@H]1C[C@H](Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[N@H+]1C1CC1 ZINC000663705578 452445493 /nfs/dbraw/zinc/44/54/93/452445493.db2.gz XUVRKSFWRXEYBZ-KGLIPLIRSA-N 2 2 331.464 1.865 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)NCC[N@@H+]3CC[C@@H](O)C3)ccc21 ZINC000640180261 452494718 /nfs/dbraw/zinc/49/47/18/452494718.db2.gz XENBSPMOPWOUPI-OAHLLOKOSA-N 2 2 343.431 1.489 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)NCC[N@H+]3CC[C@@H](O)C3)ccc21 ZINC000640180261 452494725 /nfs/dbraw/zinc/49/47/25/452494725.db2.gz XENBSPMOPWOUPI-OAHLLOKOSA-N 2 2 343.431 1.489 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CC(=O)Nc3ccccc31)C2 ZINC000652350737 452526587 /nfs/dbraw/zinc/52/65/87/452526587.db2.gz CZLIGTILKQAWNV-UGSOOPFHSA-N 2 2 328.416 1.033 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CC(=O)Nc3ccccc31)C2 ZINC000652350737 452526594 /nfs/dbraw/zinc/52/65/94/452526594.db2.gz CZLIGTILKQAWNV-UGSOOPFHSA-N 2 2 328.416 1.033 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357218 452535659 /nfs/dbraw/zinc/53/56/59/452535659.db2.gz CCYQPPSLFWBOMI-ATNYBXOESA-N 2 2 349.475 1.557 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357218 452535667 /nfs/dbraw/zinc/53/56/67/452535667.db2.gz CCYQPPSLFWBOMI-ATNYBXOESA-N 2 2 349.475 1.557 20 0 EDADLP COc1ccc([C@H](CCO)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655723818 452537654 /nfs/dbraw/zinc/53/76/54/452537654.db2.gz QATRKTNHTJKABU-HKUYNNGSSA-N 2 2 334.460 1.962 20 0 EDADLP C[C@H](O)[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000657819229 452550418 /nfs/dbraw/zinc/55/04/18/452550418.db2.gz SMBQUOVLUNYBRI-MAUKXSAKSA-N 2 2 341.459 1.440 20 0 EDADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)[C@H]2C1 ZINC000655767472 452567117 /nfs/dbraw/zinc/56/71/17/452567117.db2.gz FGRCVENMONOAPY-NQYYFHDYSA-N 2 2 335.492 1.476 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[C@@H]1n1cccn1 ZINC000655771875 452568725 /nfs/dbraw/zinc/56/87/25/452568725.db2.gz PRDIVTZHXAFUIQ-FJIDUMEYSA-N 2 2 334.464 1.445 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2[nH+]1 ZINC000657856682 452572584 /nfs/dbraw/zinc/57/25/84/452572584.db2.gz PIMUPQSWANJCHO-DZGCQCFKSA-N 2 2 343.431 1.522 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCC[NH3+])CC2)cc1 ZINC000647847337 452580513 /nfs/dbraw/zinc/58/05/13/452580513.db2.gz KCSLULKFLOBDMQ-UHFFFAOYSA-N 3 2 332.492 1.310 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCC[NH3+])CC2)cc1 ZINC000647847337 452580521 /nfs/dbraw/zinc/58/05/21/452580521.db2.gz KCSLULKFLOBDMQ-UHFFFAOYSA-N 3 2 332.492 1.310 20 0 EDADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCC[NH3+])CC2)cc1 ZINC000647847337 452580529 /nfs/dbraw/zinc/58/05/29/452580529.db2.gz KCSLULKFLOBDMQ-UHFFFAOYSA-N 3 2 332.492 1.310 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCC[NH3+])CC2)cc1 ZINC000647847337 452580537 /nfs/dbraw/zinc/58/05/37/452580537.db2.gz KCSLULKFLOBDMQ-UHFFFAOYSA-N 3 2 332.492 1.310 20 0 EDADLP COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000666090850 452580764 /nfs/dbraw/zinc/58/07/64/452580764.db2.gz JRFMJNBJWVYUHL-WMZOPIPTSA-N 2 2 348.491 1.017 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C)[C@H]3C)cc2[nH+]1 ZINC000657874644 452584804 /nfs/dbraw/zinc/58/48/04/452584804.db2.gz WSXOGGQSFCXYPM-CHWSQXEVSA-N 2 2 329.404 1.132 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](C)[C@H](C)[C@H]3C)cc2[nH+]1 ZINC000657874644 452584809 /nfs/dbraw/zinc/58/48/09/452584809.db2.gz WSXOGGQSFCXYPM-CHWSQXEVSA-N 2 2 329.404 1.132 20 0 EDADLP O=C(N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000647874228 452612328 /nfs/dbraw/zinc/61/23/28/452612328.db2.gz JHTBIZDUIOJQMJ-HWWITLHISA-N 2 2 331.504 1.957 20 0 EDADLP O=C(COc1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647881212 452621290 /nfs/dbraw/zinc/62/12/90/452621290.db2.gz TZDCEUIDBDKKBT-AWEZNQCLSA-N 2 2 337.851 1.473 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853572 452630184 /nfs/dbraw/zinc/63/01/84/452630184.db2.gz VILIGTJUPWBKBX-IXDOHACOSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853572 452630189 /nfs/dbraw/zinc/63/01/89/452630189.db2.gz VILIGTJUPWBKBX-IXDOHACOSA-N 2 2 346.475 1.618 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCOc1cccc(F)c1 ZINC000647901653 452642666 /nfs/dbraw/zinc/64/26/66/452642666.db2.gz SHJKOWCRDYXDLA-QAPCUYQASA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCOc1cccc(F)c1 ZINC000647901653 452642678 /nfs/dbraw/zinc/64/26/78/452642678.db2.gz SHJKOWCRDYXDLA-QAPCUYQASA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000647900949 452643271 /nfs/dbraw/zinc/64/32/71/452643271.db2.gz HWRZNRBOFOOCKY-XSLAGTTESA-N 2 2 335.492 1.620 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000647900949 452643280 /nfs/dbraw/zinc/64/32/80/452643280.db2.gz HWRZNRBOFOOCKY-XSLAGTTESA-N 2 2 335.492 1.620 20 0 EDADLP O=S(=O)(NCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901426 452643474 /nfs/dbraw/zinc/64/34/74/452643474.db2.gz OGOGXYMBOKJCHN-WBVHZDCISA-N 2 2 337.489 1.429 20 0 EDADLP O=S(=O)(NCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901426 452643482 /nfs/dbraw/zinc/64/34/82/452643482.db2.gz OGOGXYMBOKJCHN-WBVHZDCISA-N 2 2 337.489 1.429 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925357 452663856 /nfs/dbraw/zinc/66/38/56/452663856.db2.gz FIBMEZCUTJYOBT-HUUCEWRRSA-N 2 2 347.459 1.487 20 0 EDADLP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000657991470 452665784 /nfs/dbraw/zinc/66/57/84/452665784.db2.gz VZZXUYWRYVUVNN-WMZOPIPTSA-N 2 2 329.448 1.547 20 0 EDADLP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000657991470 452665794 /nfs/dbraw/zinc/66/57/94/452665794.db2.gz VZZXUYWRYVUVNN-WMZOPIPTSA-N 2 2 329.448 1.547 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C(F)(F)F ZINC000655914858 452675499 /nfs/dbraw/zinc/67/54/99/452675499.db2.gz IODJFVYHOZZQLW-LURJTMIESA-N 2 2 333.236 1.134 20 0 EDADLP CC[C@@H]1C[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647936889 452675797 /nfs/dbraw/zinc/67/57/97/452675797.db2.gz MWWPBRZUVKRNNC-RHSMWYFYSA-N 2 2 340.489 1.918 20 0 EDADLP CC[C@@H]1C[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647936889 452675804 /nfs/dbraw/zinc/67/58/04/452675804.db2.gz MWWPBRZUVKRNNC-RHSMWYFYSA-N 2 2 340.489 1.918 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2[nH+]1 ZINC000658007338 452680076 /nfs/dbraw/zinc/68/00/76/452680076.db2.gz PNVTWZJAHXGTBM-CQSZACIVSA-N 2 2 343.431 1.429 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC000658007338 452680083 /nfs/dbraw/zinc/68/00/83/452680083.db2.gz PNVTWZJAHXGTBM-CQSZACIVSA-N 2 2 343.431 1.429 20 0 EDADLP NC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988407 452730726 /nfs/dbraw/zinc/73/07/26/452730726.db2.gz FVNCNJYNTJBZEB-CZUORRHYSA-N 2 2 336.867 1.094 20 0 EDADLP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658117330 452730961 /nfs/dbraw/zinc/73/09/61/452730961.db2.gz ZZYMQTMBHBSRNY-DZOHQFGASA-N 2 2 326.481 1.395 20 0 EDADLP C[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653259 452757753 /nfs/dbraw/zinc/75/77/53/452757753.db2.gz YRIIYTUMHPDKMD-OAGGEKHMSA-N 2 2 337.468 1.412 20 0 EDADLP C[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653259 452757757 /nfs/dbraw/zinc/75/77/57/452757757.db2.gz YRIIYTUMHPDKMD-OAGGEKHMSA-N 2 2 337.468 1.412 20 0 EDADLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCC(F)CC1 ZINC000662006820 452758102 /nfs/dbraw/zinc/75/81/02/452758102.db2.gz SUZLVTUKEYWUEB-QQFBHYJXSA-N 2 2 343.487 1.720 20 0 EDADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc3ccnn3c2)CC1 ZINC000648019680 452758639 /nfs/dbraw/zinc/75/86/39/452758639.db2.gz QIJQUCZNPSXUOE-IRXDYDNUSA-N 2 2 329.448 1.587 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cn21 ZINC000645760715 452764113 /nfs/dbraw/zinc/76/41/13/452764113.db2.gz PTELNXKAZCWSCD-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N(C)C[C@@H]3CCC[N@H+]3C)cn21 ZINC000645760715 452764121 /nfs/dbraw/zinc/76/41/21/452764121.db2.gz PTELNXKAZCWSCD-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP COc1cc(F)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000666324077 452778718 /nfs/dbraw/zinc/77/87/18/452778718.db2.gz MHWGIAZABUUJOZ-UHFFFAOYSA-N 2 2 344.406 1.978 20 0 EDADLP COc1cc(F)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000666324077 452778725 /nfs/dbraw/zinc/77/87/25/452778725.db2.gz MHWGIAZABUUJOZ-UHFFFAOYSA-N 2 2 344.406 1.978 20 0 EDADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000648073690 452800666 /nfs/dbraw/zinc/80/06/66/452800666.db2.gz UBEPNYFIVPAAHF-AWEZNQCLSA-N 2 2 326.322 1.835 20 0 EDADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000648073690 452800675 /nfs/dbraw/zinc/80/06/75/452800675.db2.gz UBEPNYFIVPAAHF-AWEZNQCLSA-N 2 2 326.322 1.835 20 0 EDADLP c1cn(-c2cc(NCC3CC[NH+](C4CCOCC4)CC3)ncn2)c[nH+]1 ZINC000664151021 452824470 /nfs/dbraw/zinc/82/44/70/452824470.db2.gz MKYPRYWYPSSIRV-UHFFFAOYSA-N 2 2 342.447 1.965 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118580 452835863 /nfs/dbraw/zinc/83/58/63/452835863.db2.gz RNWIMWDPPJSLEW-HZPDHXFCSA-N 3 2 345.491 1.423 20 0 EDADLP Cc1cscc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000658335637 452851177 /nfs/dbraw/zinc/85/11/77/452851177.db2.gz DIPDJAYLWMBHLM-ZDUSSCGKSA-N 2 2 340.493 1.383 20 0 EDADLP Cc1cscc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000658335637 452851195 /nfs/dbraw/zinc/85/11/95/452851195.db2.gz DIPDJAYLWMBHLM-ZDUSSCGKSA-N 2 2 340.493 1.383 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000659960395 452859588 /nfs/dbraw/zinc/85/95/88/452859588.db2.gz JGSYESXSVKYGBL-MRXNPFEDSA-N 2 2 339.505 1.901 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000659960395 452859596 /nfs/dbraw/zinc/85/95/96/452859596.db2.gz JGSYESXSVKYGBL-MRXNPFEDSA-N 2 2 339.505 1.901 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000659960395 452859603 /nfs/dbraw/zinc/85/96/03/452859603.db2.gz JGSYESXSVKYGBL-MRXNPFEDSA-N 2 2 339.505 1.901 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000659960395 452859609 /nfs/dbraw/zinc/85/96/09/452859609.db2.gz JGSYESXSVKYGBL-MRXNPFEDSA-N 2 2 339.505 1.901 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000652713914 452870862 /nfs/dbraw/zinc/87/08/62/452870862.db2.gz ZQXIMHMPDNSFFE-SFNKJDCFSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000652713914 452870874 /nfs/dbraw/zinc/87/08/74/452870874.db2.gz ZQXIMHMPDNSFFE-SFNKJDCFSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC000652713914 452870887 /nfs/dbraw/zinc/87/08/87/452870887.db2.gz ZQXIMHMPDNSFFE-SFNKJDCFSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC000652713914 452870892 /nfs/dbraw/zinc/87/08/92/452870892.db2.gz ZQXIMHMPDNSFFE-SFNKJDCFSA-N 2 2 345.487 1.827 20 0 EDADLP COc1ccc(C(=O)CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662151278 452887427 /nfs/dbraw/zinc/88/74/27/452887427.db2.gz HLIDPPNKHLQHSO-KRWDZBQOSA-N 2 2 332.444 1.799 20 0 EDADLP COc1ccc(C(=O)CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662151278 452887434 /nfs/dbraw/zinc/88/74/34/452887434.db2.gz HLIDPPNKHLQHSO-KRWDZBQOSA-N 2 2 332.444 1.799 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)C1 ZINC000662152186 452888780 /nfs/dbraw/zinc/88/87/80/452888780.db2.gz QOIFHUVXLLJNMU-GFCCVEGCSA-N 2 2 346.340 1.732 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)C1 ZINC000662152186 452888783 /nfs/dbraw/zinc/88/87/83/452888783.db2.gz QOIFHUVXLLJNMU-GFCCVEGCSA-N 2 2 346.340 1.732 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)CC[N@H+]1C ZINC000664215408 452889604 /nfs/dbraw/zinc/88/96/04/452889604.db2.gz BMCCDXKYWWIKLB-MCIONIFRSA-N 2 2 337.468 1.262 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000643983399 452893587 /nfs/dbraw/zinc/89/35/87/452893587.db2.gz ITWSPAWMVFSYQN-IEBWSBKVSA-N 2 2 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ZINC000653084603 453266181 /nfs/dbraw/zinc/26/61/81/453266181.db2.gz LTUMDTQLZZFXMA-OAHLLOKOSA-N 2 2 328.416 1.174 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000653084616 453266785 /nfs/dbraw/zinc/26/67/85/453266785.db2.gz MBNVPMTXVWLAGD-LSDHHAIUSA-N 2 2 343.830 1.658 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000648787842 453273371 /nfs/dbraw/zinc/27/33/71/453273371.db2.gz HRSLPDAQYCTNJH-CVEARBPZSA-N 2 2 336.480 1.966 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000648787842 453273385 /nfs/dbraw/zinc/27/33/85/453273385.db2.gz HRSLPDAQYCTNJH-CVEARBPZSA-N 2 2 336.480 1.966 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666950470 453275320 /nfs/dbraw/zinc/27/53/20/453275320.db2.gz UEUUNWQYURIOFX-HUUCEWRRSA-N 2 2 333.436 1.195 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000653100731 453282868 /nfs/dbraw/zinc/28/28/68/453282868.db2.gz WVMJOIDUKBWRFN-MSOLQXFVSA-N 2 2 333.476 1.516 20 0 EDADLP COc1cccc(-c2noc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)n2)c1 ZINC000653101789 453285231 /nfs/dbraw/zinc/28/52/31/453285231.db2.gz GKUNGWNWMSGXNO-SMDDNHRTSA-N 2 2 347.419 1.201 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)c[nH+]2)CCO1 ZINC000653108878 453293997 /nfs/dbraw/zinc/29/39/97/453293997.db2.gz LMGWGKGEWIXXRA-XYPHTWIQSA-N 2 2 344.459 1.454 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1F ZINC000653112554 453299588 /nfs/dbraw/zinc/29/95/88/453299588.db2.gz AWZFACFJOJIPOB-OAHLLOKOSA-N 3 2 333.411 1.215 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000653114000 453302164 /nfs/dbraw/zinc/30/21/64/453302164.db2.gz VLALXZUBUHLJLS-MRXNPFEDSA-N 3 2 338.521 1.355 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000653121794 453312601 /nfs/dbraw/zinc/31/26/01/453312601.db2.gz BUYKCPKTMBWJRE-DZKIICNBSA-N 3 2 338.521 1.526 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000653121794 453312612 /nfs/dbraw/zinc/31/26/12/453312612.db2.gz BUYKCPKTMBWJRE-DZKIICNBSA-N 3 2 338.521 1.526 20 0 EDADLP CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)cs1 ZINC000653123286 453316161 /nfs/dbraw/zinc/31/61/61/453316161.db2.gz UEMDHYNCFCAHKT-WCQYABFASA-N 2 2 328.482 1.478 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660453494 453321159 /nfs/dbraw/zinc/32/11/59/453321159.db2.gz OMWZELXHBDXTKP-IYBDPMFKSA-N 2 2 334.464 1.321 20 0 EDADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)cc2)[nH]1 ZINC000653134733 453325197 /nfs/dbraw/zinc/32/51/97/453325197.db2.gz JCMBLCXCDXDDLK-KGLIPLIRSA-N 2 2 326.404 1.400 20 0 EDADLP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(OC)c(C)c1OC ZINC000653152668 453339876 /nfs/dbraw/zinc/33/98/76/453339876.db2.gz VJNDLWDIIHPLHY-NSHDSACASA-N 2 2 325.409 1.238 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662624971 453342570 /nfs/dbraw/zinc/34/25/70/453342570.db2.gz YOBIZOZHPZIVPQ-MQVJKMGUSA-N 2 2 342.443 1.113 20 0 EDADLP Cc1nn(C)c(C)c1[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(F)(F)F ZINC000653156504 453346606 /nfs/dbraw/zinc/34/66/06/453346606.db2.gz CPHRNAHFPZCVAZ-JQWIXIFHSA-N 2 2 335.374 1.036 20 0 EDADLP Cc1ccc(Cn2cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c2=O)cc1 ZINC000653155510 453346678 /nfs/dbraw/zinc/34/66/78/453346678.db2.gz WXGFQJBZIXJECC-INIZCTEOSA-N 2 2 342.443 1.423 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000653162003 453354999 /nfs/dbraw/zinc/35/49/99/453354999.db2.gz IENZBEYXACOROJ-MRXNPFEDSA-N 2 2 325.416 1.330 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000653167949 453360588 /nfs/dbraw/zinc/36/05/88/453360588.db2.gz JXLKXHQQLOGPFY-HIFRSBDPSA-N 2 2 325.478 1.535 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC1([NH3+])CCCC1)CC2 ZINC000662650185 453363772 /nfs/dbraw/zinc/36/37/72/453363772.db2.gz QESXNNAPUIYYQG-UHFFFAOYSA-N 2 2 347.459 1.450 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC1([NH3+])CCCC1)CC2 ZINC000662650185 453363780 /nfs/dbraw/zinc/36/37/80/453363780.db2.gz QESXNNAPUIYYQG-UHFFFAOYSA-N 2 2 347.459 1.450 20 0 EDADLP COc1ccc(-c2cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)on2)cc1 ZINC000662657644 453371637 /nfs/dbraw/zinc/37/16/37/453371637.db2.gz PIICLGXFTVJKKY-OAHLLOKOSA-N 2 2 332.404 1.245 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(C(C)(C)[NH3+])no2)C[C@@H](C)O1 ZINC000662670680 453384790 /nfs/dbraw/zinc/38/47/90/453384790.db2.gz GQFBQVGLEHDOJN-VXGBXAGGSA-N 2 2 338.452 1.486 20 0 EDADLP CN(C(=O)c1cncc(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934506 453412833 /nfs/dbraw/zinc/41/28/33/453412833.db2.gz NJYWMWQYNHRWAT-MRXNPFEDSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1cncc(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934506 453412840 /nfs/dbraw/zinc/41/28/40/453412840.db2.gz NJYWMWQYNHRWAT-MRXNPFEDSA-N 2 2 336.867 1.976 20 0 EDADLP CCCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000648998107 453464824 /nfs/dbraw/zinc/46/48/24/453464824.db2.gz DSJZVKCQSOZBCU-QGZVFWFLSA-N 2 2 347.507 1.575 20 0 EDADLP CCCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000648998107 453464831 /nfs/dbraw/zinc/46/48/31/453464831.db2.gz DSJZVKCQSOZBCU-QGZVFWFLSA-N 2 2 347.507 1.575 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000662740995 453465713 /nfs/dbraw/zinc/46/57/13/453465713.db2.gz BQHZQZQQQPSJNI-GOSISDBHSA-N 2 2 330.476 1.061 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000662740995 453465720 /nfs/dbraw/zinc/46/57/20/453465720.db2.gz BQHZQZQQQPSJNI-GOSISDBHSA-N 2 2 330.476 1.061 20 0 EDADLP C[N@@H+]1CCCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662766080 453503692 /nfs/dbraw/zinc/50/36/92/453503692.db2.gz KNVLVCQTCFETHH-UHFFFAOYSA-N 2 2 344.278 1.892 20 0 EDADLP C[N@H+]1CCCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662766080 453503698 /nfs/dbraw/zinc/50/36/98/453503698.db2.gz KNVLVCQTCFETHH-UHFFFAOYSA-N 2 2 344.278 1.892 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@@H](c2ccccc2)C1 ZINC000662786610 453521485 /nfs/dbraw/zinc/52/14/85/453521485.db2.gz WCHCZFREXNALDB-CQSZACIVSA-N 2 2 328.416 1.997 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)[C@@H](c2ccccc2)C1 ZINC000662786610 453521494 /nfs/dbraw/zinc/52/14/94/453521494.db2.gz WCHCZFREXNALDB-CQSZACIVSA-N 2 2 328.416 1.997 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662794893 453528690 /nfs/dbraw/zinc/52/86/90/453528690.db2.gz RGOZNRGJVYBADJ-UHFFFAOYSA-N 2 2 330.432 1.840 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655445506 453532539 /nfs/dbraw/zinc/53/25/39/453532539.db2.gz ZYPZKPQDAKAEOR-AEFFLSMTSA-N 2 2 332.448 1.325 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445355 453532803 /nfs/dbraw/zinc/53/28/03/453532803.db2.gz RWWXVLLORPSLCU-QFBILLFUSA-N 2 2 329.444 1.847 20 0 EDADLP CC(C)n1cc(C2=CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000660715338 453543315 /nfs/dbraw/zinc/54/33/15/453543315.db2.gz KXCREZADEPWAKU-UHFFFAOYSA-N 2 2 346.479 1.112 20 0 EDADLP CC(C)n1cc(C2=CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000660715338 453543320 /nfs/dbraw/zinc/54/33/20/453543320.db2.gz KXCREZADEPWAKU-UHFFFAOYSA-N 2 2 346.479 1.112 20 0 EDADLP CC(C)[C@@H]1C[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000665027394 453546220 /nfs/dbraw/zinc/54/62/20/453546220.db2.gz PNYLOWCFLKDDFX-IRXDYDNUSA-N 2 2 342.528 1.620 20 0 EDADLP CC(C)[C@@H]1C[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000665027394 453546222 /nfs/dbraw/zinc/54/62/22/453546222.db2.gz PNYLOWCFLKDDFX-IRXDYDNUSA-N 2 2 342.528 1.620 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)CO1 ZINC000665055860 453557891 /nfs/dbraw/zinc/55/78/91/453557891.db2.gz VPJBLCHNPOXUBV-LSDHHAIUSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)CO1 ZINC000665055860 453557897 /nfs/dbraw/zinc/55/78/97/453557897.db2.gz VPJBLCHNPOXUBV-LSDHHAIUSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662849335 453569078 /nfs/dbraw/zinc/56/90/78/453569078.db2.gz IFXBEAGUGBBTHN-DDBAPUKQSA-N 2 2 329.444 1.096 20 0 EDADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662849335 453569081 /nfs/dbraw/zinc/56/90/81/453569081.db2.gz IFXBEAGUGBBTHN-DDBAPUKQSA-N 2 2 329.444 1.096 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000662849018 453569206 /nfs/dbraw/zinc/56/92/06/453569206.db2.gz DQKIAACOXVROLW-OWYHZJEWSA-N 2 2 343.471 1.486 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000662849018 453569209 /nfs/dbraw/zinc/56/92/09/453569209.db2.gz DQKIAACOXVROLW-OWYHZJEWSA-N 2 2 343.471 1.486 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000660788462 453574641 /nfs/dbraw/zinc/57/46/41/453574641.db2.gz JQRAGYOXPHTMHS-INIZCTEOSA-N 2 2 329.448 1.969 20 0 EDADLP c1cc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)ccn1 ZINC000665240140 453620224 /nfs/dbraw/zinc/62/02/24/453620224.db2.gz DJLBTQPAGUKUHF-WOJBJXKFSA-N 3 2 344.503 1.650 20 0 EDADLP Cc1ccccc1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657072256 453662293 /nfs/dbraw/zinc/66/22/93/453662293.db2.gz YUMAWKSIWHRTEJ-HNNXBMFYSA-N 2 2 327.494 1.545 20 0 EDADLP Cc1ccccc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657072256 453662298 /nfs/dbraw/zinc/66/22/98/453662298.db2.gz YUMAWKSIWHRTEJ-HNNXBMFYSA-N 2 2 327.494 1.545 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659325218 453717310 /nfs/dbraw/zinc/71/73/10/453717310.db2.gz RHVITVCULRRVCS-UHFFFAOYSA-N 2 2 330.432 1.827 20 0 EDADLP [NH3+]C[C@H]1OCC[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000663251860 453746450 /nfs/dbraw/zinc/74/64/50/453746450.db2.gz WALBNZHLVYBNHA-JKSUJKDBSA-N 2 2 344.415 1.400 20 0 EDADLP O=C1COc2ccccc2N1CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657382643 453778869 /nfs/dbraw/zinc/77/88/69/453778869.db2.gz SNOZZNCOFIVZCT-UHFFFAOYSA-N 2 2 326.400 1.735 20 0 EDADLP CC(C)OCC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663372175 453782263 /nfs/dbraw/zinc/78/22/63/453782263.db2.gz FVMFBEIHBNPTKB-PMACEKPBSA-N 2 2 349.519 1.568 20 0 EDADLP CC(C)OCC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663372175 453782266 /nfs/dbraw/zinc/78/22/66/453782266.db2.gz FVMFBEIHBNPTKB-PMACEKPBSA-N 2 2 349.519 1.568 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000663373049 453783021 /nfs/dbraw/zinc/78/30/21/453783021.db2.gz WVGJXIWPOHPLNG-JKSUJKDBSA-N 2 2 345.409 1.706 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000663373049 453783022 /nfs/dbraw/zinc/78/30/22/453783022.db2.gz WVGJXIWPOHPLNG-JKSUJKDBSA-N 2 2 345.409 1.706 20 0 EDADLP CO[C@]1(CO)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000661390941 453805810 /nfs/dbraw/zinc/80/58/10/453805810.db2.gz ZSVDTXXIUOKVPL-LJQANCHMSA-N 2 2 334.460 1.492 20 0 EDADLP CO[C@@]1(CO)CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000661397870 453809036 /nfs/dbraw/zinc/80/90/36/453809036.db2.gz WWKYQKPQGNMIES-LPHOPBHVSA-N 2 2 347.459 1.487 20 0 EDADLP CO[C@@]1(CO)CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000661397870 453809038 /nfs/dbraw/zinc/80/90/38/453809038.db2.gz WWKYQKPQGNMIES-LPHOPBHVSA-N 2 2 347.459 1.487 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCO1 ZINC000676346933 486744290 /nfs/dbraw/zinc/74/42/90/486744290.db2.gz COWUTXRRWLVEKI-MPGHIAIKSA-N 2 2 331.460 1.269 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCO1 ZINC000676346933 486744294 /nfs/dbraw/zinc/74/42/94/486744294.db2.gz COWUTXRRWLVEKI-MPGHIAIKSA-N 2 2 331.460 1.269 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676346933 486744300 /nfs/dbraw/zinc/74/43/00/486744300.db2.gz COWUTXRRWLVEKI-MPGHIAIKSA-N 2 2 331.460 1.269 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676346933 486744304 /nfs/dbraw/zinc/74/43/04/486744304.db2.gz COWUTXRRWLVEKI-MPGHIAIKSA-N 2 2 331.460 1.269 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000672690377 486763305 /nfs/dbraw/zinc/76/33/05/486763305.db2.gz RINYOFSKGDOWKU-OAHLLOKOSA-N 2 2 347.463 1.106 20 0 EDADLP COC[C@H](C)Oc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000667464185 486790676 /nfs/dbraw/zinc/79/06/76/486790676.db2.gz JTKBSVRWTKPCGH-INIZCTEOSA-N 2 2 336.476 1.989 20 0 EDADLP COC[C@H](C)Oc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000667464185 486790680 /nfs/dbraw/zinc/79/06/80/486790680.db2.gz JTKBSVRWTKPCGH-INIZCTEOSA-N 2 2 336.476 1.989 20 0 EDADLP CCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)nn1 ZINC000680536229 486803890 /nfs/dbraw/zinc/80/38/90/486803890.db2.gz MIFBMFWRGVWYGS-KRWDZBQOSA-N 2 2 345.491 1.588 20 0 EDADLP CCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)nn1 ZINC000680536229 486803896 /nfs/dbraw/zinc/80/38/96/486803896.db2.gz MIFBMFWRGVWYGS-KRWDZBQOSA-N 2 2 345.491 1.588 20 0 EDADLP O=C(NCC(F)(F)F)C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667531040 486826219 /nfs/dbraw/zinc/82/62/19/486826219.db2.gz UJFJEVCEWXKZKR-UHFFFAOYSA-N 2 2 330.354 1.720 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCCC3(F)F)C2)CC1 ZINC000672874889 486826928 /nfs/dbraw/zinc/82/69/28/486826928.db2.gz ZASNLEUOGOECKA-JSGCOSHPSA-N 2 2 330.423 1.642 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCCC3(F)F)C2)CC1 ZINC000672874889 486826932 /nfs/dbraw/zinc/82/69/32/486826932.db2.gz ZASNLEUOGOECKA-JSGCOSHPSA-N 2 2 330.423 1.642 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)ccc2n1C ZINC000667538799 486831953 /nfs/dbraw/zinc/83/19/53/486831953.db2.gz NQSLYULFINTFHJ-WFASDCNBSA-N 2 2 341.415 1.031 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000683869247 486847357 /nfs/dbraw/zinc/84/73/57/486847357.db2.gz MNJRYXKGXPKANN-UHFFFAOYSA-N 2 2 346.341 1.911 20 0 EDADLP C[C@H]1COCCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000676712203 486850524 /nfs/dbraw/zinc/85/05/24/486850524.db2.gz JRUKWFXQBRNQIX-INIZCTEOSA-N 2 2 347.459 1.568 20 0 EDADLP C[C@H]1COCCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000676712203 486850527 /nfs/dbraw/zinc/85/05/27/486850527.db2.gz JRUKWFXQBRNQIX-INIZCTEOSA-N 2 2 347.459 1.568 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOCC3CCC3)C2)CC1 ZINC000680913321 486891611 /nfs/dbraw/zinc/89/16/11/486891611.db2.gz HTFYFNZMECBTHM-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOCC3CCC3)C2)CC1 ZINC000680913321 486891616 /nfs/dbraw/zinc/89/16/16/486891616.db2.gz HTFYFNZMECBTHM-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cc(C4CC4)no3)CC2)CC1 ZINC000667641923 486893601 /nfs/dbraw/zinc/89/36/01/486893601.db2.gz IKWTVTYBFQTSGD-UHFFFAOYSA-N 2 2 346.475 1.769 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccnn1-c1cc[nH+]cc1 ZINC000667706813 486927505 /nfs/dbraw/zinc/92/75/05/486927505.db2.gz IXDVQHMLANDQGM-QRQLOZEOSA-N 3 2 341.459 1.951 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccnn1-c1cc[nH+]cc1 ZINC000667706813 486927508 /nfs/dbraw/zinc/92/75/08/486927508.db2.gz IXDVQHMLANDQGM-QRQLOZEOSA-N 3 2 341.459 1.951 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000673667604 487083203 /nfs/dbraw/zinc/08/32/03/487083203.db2.gz CZUUBWYOJCCISG-HOTGVXAUSA-N 2 2 333.480 1.420 20 0 EDADLP COCCn1nnc2c1CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000668193512 487138051 /nfs/dbraw/zinc/13/80/51/487138051.db2.gz GYAMIMUVBILTSM-UHFFFAOYSA-N 2 2 339.403 1.064 20 0 EDADLP COCCn1nnc2c1CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000668193512 487138056 /nfs/dbraw/zinc/13/80/56/487138056.db2.gz GYAMIMUVBILTSM-UHFFFAOYSA-N 2 2 339.403 1.064 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000684898727 487190507 /nfs/dbraw/zinc/19/05/07/487190507.db2.gz LLUDJTLEKAUOND-MRXNPFEDSA-N 2 2 345.491 1.952 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000674157927 487209500 /nfs/dbraw/zinc/20/95/00/487209500.db2.gz HYHYTCNNSVUUBV-RDJZCZTQSA-N 2 2 345.491 1.653 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000674157927 487209502 /nfs/dbraw/zinc/20/95/02/487209502.db2.gz HYHYTCNNSVUUBV-RDJZCZTQSA-N 2 2 345.491 1.653 20 0 EDADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)nn1 ZINC000678074249 487240935 /nfs/dbraw/zinc/24/09/35/487240935.db2.gz DRFSZQGKKZKSDI-UHFFFAOYSA-N 2 2 331.464 1.382 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000681929849 487255057 /nfs/dbraw/zinc/25/50/57/487255057.db2.gz ZZJLLEHNCNJLQI-SJLPKXTDSA-N 2 2 343.475 1.384 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000681929849 487255060 /nfs/dbraw/zinc/25/50/60/487255060.db2.gz ZZJLLEHNCNJLQI-SJLPKXTDSA-N 2 2 343.475 1.384 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000682274480 487334156 /nfs/dbraw/zinc/33/41/56/487334156.db2.gz RBECUDXMNONOSL-AWEZNQCLSA-N 2 2 343.431 1.572 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000675095360 487377332 /nfs/dbraw/zinc/37/73/32/487377332.db2.gz IDRXIVUPILBGOR-RDTXWAMCSA-N 2 2 328.460 1.784 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000675095360 487377335 /nfs/dbraw/zinc/37/73/35/487377335.db2.gz IDRXIVUPILBGOR-RDTXWAMCSA-N 2 2 328.460 1.784 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC3=CC[N@H+](C)CC3)[nH+]c12 ZINC000678911844 487377965 /nfs/dbraw/zinc/37/79/65/487377965.db2.gz FATKCFXRWTXQIM-UHFFFAOYSA-N 2 2 327.432 1.746 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC3=CC[N@@H+](C)CC3)[nH+]c12 ZINC000678911844 487377968 /nfs/dbraw/zinc/37/79/68/487377968.db2.gz FATKCFXRWTXQIM-UHFFFAOYSA-N 2 2 327.432 1.746 20 0 EDADLP C[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1F ZINC000679290626 487409727 /nfs/dbraw/zinc/40/97/27/487409727.db2.gz XRVQPPLBEBIKQK-WMLDXEAASA-N 2 2 340.487 1.935 20 0 EDADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)CC3 ZINC000679336750 487415855 /nfs/dbraw/zinc/41/58/55/487415855.db2.gz ULPPUIRYBMPCSC-OAHLLOKOSA-N 2 2 340.471 1.697 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@](C)(CO)c3ccccc3)cn2)CC1 ZINC000675552808 487422062 /nfs/dbraw/zinc/42/20/62/487422062.db2.gz IQIJALBYOWJHAM-IBGZPJMESA-N 2 2 341.459 1.226 20 0 EDADLP CCOc1nc(C)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682900793 487427992 /nfs/dbraw/zinc/42/79/92/487427992.db2.gz XQWRANBDUYNLME-OAHLLOKOSA-N 2 2 346.475 1.687 20 0 EDADLP CCOc1nc(C)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682900793 487427995 /nfs/dbraw/zinc/42/79/95/487427995.db2.gz XQWRANBDUYNLME-OAHLLOKOSA-N 2 2 346.475 1.687 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)CC[NH2+]2)cc1 ZINC000502474622 487454403 /nfs/dbraw/zinc/45/44/03/487454403.db2.gz IXPQHWXNZKJQAP-KSZLIROESA-N 2 2 331.460 1.441 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)CC[NH2+]2)cc1 ZINC000502474622 487454405 /nfs/dbraw/zinc/45/44/05/487454405.db2.gz IXPQHWXNZKJQAP-KSZLIROESA-N 2 2 331.460 1.441 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000669548300 485539583 /nfs/dbraw/zinc/53/95/83/485539583.db2.gz QKUAMZNOMUMFEN-GLQYFDAESA-N 2 2 340.855 1.358 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000669548300 485539589 /nfs/dbraw/zinc/53/95/89/485539589.db2.gz QKUAMZNOMUMFEN-GLQYFDAESA-N 2 2 340.855 1.358 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000324404366 485555926 /nfs/dbraw/zinc/55/59/26/485555926.db2.gz UDPFJOADWIDANR-DZGCQCFKSA-N 2 2 331.416 1.818 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000324404366 485555932 /nfs/dbraw/zinc/55/59/32/485555932.db2.gz UDPFJOADWIDANR-DZGCQCFKSA-N 2 2 331.416 1.818 20 0 EDADLP O=S(=O)(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Cn1cc[nH+]c1 ZINC000669624998 485875482 /nfs/dbraw/zinc/87/54/82/485875482.db2.gz SMOKITJTQKIHMR-HNNXBMFYSA-N 2 2 346.456 1.446 20 0 EDADLP O=S(=O)(N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cn1cc[nH+]c1 ZINC000669624998 485875489 /nfs/dbraw/zinc/87/54/89/485875489.db2.gz SMOKITJTQKIHMR-HNNXBMFYSA-N 2 2 346.456 1.446 20 0 EDADLP Cn1cc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)nn1 ZINC000668605243 485939116 /nfs/dbraw/zinc/93/91/16/485939116.db2.gz HTULAOBRQVTWSK-UHFFFAOYSA-N 2 2 329.448 1.922 20 0 EDADLP Cn1cc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)nn1 ZINC000668605243 485939123 /nfs/dbraw/zinc/93/91/23/485939123.db2.gz HTULAOBRQVTWSK-UHFFFAOYSA-N 2 2 329.448 1.922 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572117642 485979551 /nfs/dbraw/zinc/97/95/51/485979551.db2.gz JCFKQRXJHXCZPS-HUUCEWRRSA-N 2 2 329.435 1.812 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC(C)(C)[NH3+] ZINC000237665954 485995474 /nfs/dbraw/zinc/99/54/74/485995474.db2.gz RRZZOHISOCHSCE-MRXNPFEDSA-N 2 2 333.476 1.863 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000675197559 486065291 /nfs/dbraw/zinc/06/52/91/486065291.db2.gz PARAFAJTUXCYIK-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)[nH+]c2c1 ZINC000669402311 486072068 /nfs/dbraw/zinc/07/20/68/486072068.db2.gz NVYJTIKIHQBSLY-BPUTZDHNSA-N 2 2 327.432 1.912 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCOc3ccc(F)cc32)[C@H](C[NH3+])C1 ZINC000669406354 486079642 /nfs/dbraw/zinc/07/96/42/486079642.db2.gz WMCIHNRFHHYJDE-HIFRSBDPSA-N 2 2 336.411 1.324 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCOc3ccc(F)cc32)[C@H](C[NH3+])C1 ZINC000669406354 486079650 /nfs/dbraw/zinc/07/96/50/486079650.db2.gz WMCIHNRFHHYJDE-HIFRSBDPSA-N 2 2 336.411 1.324 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3-n3cncn3)CC2)C1 ZINC000668740033 486111898 /nfs/dbraw/zinc/11/18/98/486111898.db2.gz FTOTZBHSBFOXJY-QGZVFWFLSA-N 2 2 327.432 1.298 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3-n3cncn3)CC2)C1 ZINC000668740033 486111903 /nfs/dbraw/zinc/11/19/03/486111903.db2.gz FTOTZBHSBFOXJY-QGZVFWFLSA-N 2 2 327.432 1.298 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669461654 486214898 /nfs/dbraw/zinc/21/48/98/486214898.db2.gz FZXKIDGJXYCMND-IKGGRYGDSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669461654 486214904 /nfs/dbraw/zinc/21/49/04/486214904.db2.gz FZXKIDGJXYCMND-IKGGRYGDSA-N 2 2 338.496 1.128 20 0 EDADLP CC[N@H+](CCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000668809928 486219044 /nfs/dbraw/zinc/21/90/44/486219044.db2.gz ZRNUFHTXISUIPE-RDJZCZTQSA-N 2 2 334.464 1.661 20 0 EDADLP CC[N@@H+](CCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000668809928 486219046 /nfs/dbraw/zinc/21/90/46/486219046.db2.gz ZRNUFHTXISUIPE-RDJZCZTQSA-N 2 2 334.464 1.661 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000668846517 486255568 /nfs/dbraw/zinc/25/55/68/486255568.db2.gz RLURGIGRDMJNRY-QZTJIDSGSA-N 2 2 346.475 1.501 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000669832149 486469386 /nfs/dbraw/zinc/46/93/86/486469386.db2.gz CLHONUAMKUJWFJ-LYAPFXNSSA-N 2 2 337.489 1.177 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000669832149 486469393 /nfs/dbraw/zinc/46/93/93/486469393.db2.gz CLHONUAMKUJWFJ-LYAPFXNSSA-N 2 2 337.489 1.177 20 0 EDADLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccsc1 ZINC000669939154 486522102 /nfs/dbraw/zinc/52/21/02/486522102.db2.gz LYWGJQKQRKBLTF-CYBMUJFWSA-N 2 2 325.478 1.626 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000671295573 486640012 /nfs/dbraw/zinc/64/00/12/486640012.db2.gz CLDISZXEUNWYLW-IAGOWNOFSA-N 2 2 331.460 1.596 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000261850444 486647151 /nfs/dbraw/zinc/64/71/51/486647151.db2.gz VTHYLNCMNOYFFS-SJLPKXTDSA-N 2 2 331.460 1.585 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000131467169 491212909 /nfs/dbraw/zinc/21/29/09/491212909.db2.gz GTWSGABXCYWLAZ-HXUWFJFHSA-N 3 2 348.535 1.621 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000630862246 491006541 /nfs/dbraw/zinc/00/65/41/491006541.db2.gz ZXOPWZQGNGUHAH-UHFFFAOYSA-N 2 2 338.415 1.812 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923833 500577499 /nfs/dbraw/zinc/57/74/99/500577499.db2.gz CSEGYPOXXGNNNI-HZPDHXFCSA-N 2 2 346.475 1.892 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000518343882 501059069 /nfs/dbraw/zinc/05/90/69/501059069.db2.gz LWRLBCCEUPSSPF-GOSISDBHSA-N 2 2 339.443 1.967 20 0 EDADLP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc(Br)c1O ZINC000131390844 533882919 /nfs/dbraw/zinc/88/29/19/533882919.db2.gz CCAISOIDPNRSNT-CQSZACIVSA-N 2 2 347.253 1.566 20 0 EDADLP Cc1ccsc1[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181042421 534480411 /nfs/dbraw/zinc/48/04/11/534480411.db2.gz ZSHPTLFTGGMALL-CABCVRRESA-N 2 2 337.489 1.640 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000174210649 528184624 /nfs/dbraw/zinc/18/46/24/528184624.db2.gz WMBKHOUTRFXPAT-CYBMUJFWSA-N 2 2 335.477 1.623 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000174210649 528184625 /nfs/dbraw/zinc/18/46/25/528184625.db2.gz WMBKHOUTRFXPAT-CYBMUJFWSA-N 2 2 335.477 1.623 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000158999149 529119065 /nfs/dbraw/zinc/11/90/65/529119065.db2.gz OZGAUDJHVRYVAV-WMZOPIPTSA-N 2 2 346.475 1.570 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)CC1 ZINC000171526875 529151380 /nfs/dbraw/zinc/15/13/80/529151380.db2.gz RWZJDKBGVDUPKB-QGZVFWFLSA-N 2 2 341.459 1.948 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)CC1 ZINC000171526875 529151381 /nfs/dbraw/zinc/15/13/81/529151381.db2.gz RWZJDKBGVDUPKB-QGZVFWFLSA-N 2 2 341.459 1.948 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000194965784 535113370 /nfs/dbraw/zinc/11/33/70/535113370.db2.gz LIXOFMILYUTLCD-IRXDYDNUSA-N 2 2 329.448 1.841 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000194965784 535113373 /nfs/dbraw/zinc/11/33/73/535113373.db2.gz LIXOFMILYUTLCD-IRXDYDNUSA-N 2 2 329.448 1.841 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000194983386 535730958 /nfs/dbraw/zinc/73/09/58/535730958.db2.gz LLVJNLUWORYWFF-DOTOQJQBSA-N 2 2 328.464 1.510 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@H]1O ZINC000270492107 535844992 /nfs/dbraw/zinc/84/49/92/535844992.db2.gz ATTHYKHKFAKBHO-RTBURBONSA-N 2 2 345.487 1.342 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C[C@H]1O ZINC000270492107 535844998 /nfs/dbraw/zinc/84/49/98/535844998.db2.gz ATTHYKHKFAKBHO-RTBURBONSA-N 2 2 345.487 1.342 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000237044197 535954096 /nfs/dbraw/zinc/95/40/96/535954096.db2.gz LFVKBBHEEDEKPJ-SZMVWBNQSA-N 2 2 333.476 1.858 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)C1CCOCC1 ZINC000333800097 536124272 /nfs/dbraw/zinc/12/42/72/536124272.db2.gz NYWNJUKZKAIISG-IIAWOOMASA-N 2 2 349.479 1.763 20 0 EDADLP CC[C@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000245453872 536158080 /nfs/dbraw/zinc/15/80/80/536158080.db2.gz RNOPVZNCVLXEGY-CVEARBPZSA-N 2 2 348.516 1.946 20 0 EDADLP CC[C@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000245453872 536158085 /nfs/dbraw/zinc/15/80/85/536158085.db2.gz RNOPVZNCVLXEGY-CVEARBPZSA-N 2 2 348.516 1.946 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000347212311 536159664 /nfs/dbraw/zinc/15/96/64/536159664.db2.gz UPHFMLRDDAFREL-HNNXBMFYSA-N 2 2 344.459 1.514 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000347212311 536159668 /nfs/dbraw/zinc/15/96/68/536159668.db2.gz UPHFMLRDDAFREL-HNNXBMFYSA-N 2 2 344.459 1.514 20 0 EDADLP C[N@H+](CCC1CCOCC1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000120554667 536326554 /nfs/dbraw/zinc/32/65/54/536326554.db2.gz CRLNKJZQPLDKIV-UHFFFAOYSA-N 2 2 349.475 1.672 20 0 EDADLP C[N@@H+](CCC1CCOCC1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000120554667 536326558 /nfs/dbraw/zinc/32/65/58/536326558.db2.gz CRLNKJZQPLDKIV-UHFFFAOYSA-N 2 2 349.475 1.672 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000262972104 536568510 /nfs/dbraw/zinc/56/85/10/536568510.db2.gz XRWNOUMPGYMUJN-OLZOCXBDSA-N 2 2 341.402 1.409 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000262972104 536568517 /nfs/dbraw/zinc/56/85/17/536568517.db2.gz XRWNOUMPGYMUJN-OLZOCXBDSA-N 2 2 341.402 1.409 20 0 EDADLP COC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000262391185 536864467 /nfs/dbraw/zinc/86/44/67/536864467.db2.gz YUIGJHBGEAFHKX-GJZGRUSLSA-N 2 2 325.840 1.567 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000339542869 536893490 /nfs/dbraw/zinc/89/34/90/536893490.db2.gz HKEAYPGJQDLBNK-GOSISDBHSA-N 2 2 327.428 1.599 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000339542869 536893495 /nfs/dbraw/zinc/89/34/95/536893495.db2.gz HKEAYPGJQDLBNK-GOSISDBHSA-N 2 2 327.428 1.599 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCCC[NH+](C)C2CCCCC2)CCO1 ZINC000726254105 578338462 /nfs/dbraw/zinc/33/84/62/578338462.db2.gz GAOIKPSBFHGOLR-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+](C)C2CCCCC2)CCO1 ZINC000726254105 578338463 /nfs/dbraw/zinc/33/84/63/578338463.db2.gz GAOIKPSBFHGOLR-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000726254105 578338464 /nfs/dbraw/zinc/33/84/64/578338464.db2.gz GAOIKPSBFHGOLR-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000726254105 578338465 /nfs/dbraw/zinc/33/84/65/578338465.db2.gz GAOIKPSBFHGOLR-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP Cc1noc(C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2)n1 ZINC000759932684 580019763 /nfs/dbraw/zinc/01/97/63/580019763.db2.gz VUMOGMQNCCELLT-IRXDYDNUSA-N 2 2 330.432 1.708 20 0 EDADLP C[NH+]1CCN(CCC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)n2)CC1 ZINC000727644444 578536531 /nfs/dbraw/zinc/53/65/31/578536531.db2.gz JKQGMJGPVJERIP-UHFFFAOYSA-N 2 2 348.882 1.648 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCO1 ZINC000729607048 578584611 /nfs/dbraw/zinc/58/46/11/578584611.db2.gz VWJAESJGYISFTB-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCO1 ZINC000729607048 578584612 /nfs/dbraw/zinc/58/46/12/578584612.db2.gz VWJAESJGYISFTB-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000729647443 578586338 /nfs/dbraw/zinc/58/63/38/578586338.db2.gz PGJCIKOKLGTISM-ZIAGYGMSSA-N 2 2 330.542 1.148 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000732288444 578703047 /nfs/dbraw/zinc/70/30/47/578703047.db2.gz NUKJZUSREHNONI-MSOLQXFVSA-N 2 2 331.460 1.349 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000732288444 578703049 /nfs/dbraw/zinc/70/30/49/578703049.db2.gz NUKJZUSREHNONI-MSOLQXFVSA-N 2 2 331.460 1.349 20 0 EDADLP C[N@@H+](Cc1cnn[nH]1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000734751524 578835466 /nfs/dbraw/zinc/83/54/66/578835466.db2.gz TZTRAXYFFMETKP-GOSISDBHSA-N 2 2 329.448 1.682 20 0 EDADLP C[N@H+](Cc1cnn[nH]1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000734751524 578835467 /nfs/dbraw/zinc/83/54/67/578835467.db2.gz TZTRAXYFFMETKP-GOSISDBHSA-N 2 2 329.448 1.682 20 0 EDADLP C[N@@H+](Cc1c[nH]nn1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000734751524 578835468 /nfs/dbraw/zinc/83/54/68/578835468.db2.gz TZTRAXYFFMETKP-GOSISDBHSA-N 2 2 329.448 1.682 20 0 EDADLP C[N@H+](Cc1c[nH]nn1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000734751524 578835469 /nfs/dbraw/zinc/83/54/69/578835469.db2.gz TZTRAXYFFMETKP-GOSISDBHSA-N 2 2 329.448 1.682 20 0 EDADLP C[N@@H+](Cc1cn[nH]n1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000734751524 578835470 /nfs/dbraw/zinc/83/54/70/578835470.db2.gz TZTRAXYFFMETKP-GOSISDBHSA-N 2 2 329.448 1.682 20 0 EDADLP C[N@H+](Cc1cn[nH]n1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000734751524 578835471 /nfs/dbraw/zinc/83/54/71/578835471.db2.gz TZTRAXYFFMETKP-GOSISDBHSA-N 2 2 329.448 1.682 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000737639363 579124334 /nfs/dbraw/zinc/12/43/34/579124334.db2.gz POPQYXVLGOOLRG-CYBMUJFWSA-N 2 2 346.410 1.160 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000737639363 579124336 /nfs/dbraw/zinc/12/43/36/579124336.db2.gz POPQYXVLGOOLRG-CYBMUJFWSA-N 2 2 346.410 1.160 20 0 EDADLP C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000746651926 579605091 /nfs/dbraw/zinc/60/50/91/579605091.db2.gz ZQLMJVJXWXDQBC-ZWKOTPCHSA-N 2 2 336.524 1.395 20 0 EDADLP Cc1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c(N(C)C)[nH+]1 ZINC000750398535 579761898 /nfs/dbraw/zinc/76/18/98/579761898.db2.gz IUNMFCMOTQBUFE-UHFFFAOYSA-N 2 2 348.495 1.604 20 0 EDADLP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000752076590 579837135 /nfs/dbraw/zinc/83/71/35/579837135.db2.gz ZGBBFOBQHOFEQT-KURKYZTESA-N 2 2 338.492 1.887 20 0 EDADLP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000752076590 579837137 /nfs/dbraw/zinc/83/71/37/579837137.db2.gz ZGBBFOBQHOFEQT-KURKYZTESA-N 2 2 338.492 1.887 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)C1 ZINC000754111263 579896761 /nfs/dbraw/zinc/89/67/61/579896761.db2.gz AZCVKSQDPLKOPZ-CYBMUJFWSA-N 2 2 339.509 1.289 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)C1 ZINC000754111263 579896762 /nfs/dbraw/zinc/89/67/62/579896762.db2.gz AZCVKSQDPLKOPZ-CYBMUJFWSA-N 2 2 339.509 1.289 20 0 EDADLP CN(C(=O)c1ncccn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755216049 579922939 /nfs/dbraw/zinc/92/29/39/579922939.db2.gz ZLJCFSFJNORMEG-DLBZAZTESA-N 2 2 345.491 1.886 20 0 EDADLP CN(C(=O)c1ncccn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755216049 579922940 /nfs/dbraw/zinc/92/29/40/579922940.db2.gz ZLJCFSFJNORMEG-DLBZAZTESA-N 2 2 345.491 1.886 20 0 EDADLP COC1CCC(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000759081884 579998069 /nfs/dbraw/zinc/99/80/69/579998069.db2.gz BNQUXHNFRLWCPH-PQUAAJSLSA-N 2 2 337.508 1.866 20 0 EDADLP COC1CCC(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000759081884 579998070 /nfs/dbraw/zinc/99/80/70/579998070.db2.gz BNQUXHNFRLWCPH-PQUAAJSLSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000759355865 580004171 /nfs/dbraw/zinc/00/41/71/580004171.db2.gz TURTVGFZTMNFJQ-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000759355865 580004172 /nfs/dbraw/zinc/00/41/72/580004172.db2.gz TURTVGFZTMNFJQ-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000759355865 580004173 /nfs/dbraw/zinc/00/41/73/580004173.db2.gz TURTVGFZTMNFJQ-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000759355865 580004174 /nfs/dbraw/zinc/00/41/74/580004174.db2.gz TURTVGFZTMNFJQ-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP CN(C(=O)NCc1cccc(F)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771770711 580293404 /nfs/dbraw/zinc/29/34/04/580293404.db2.gz AHKCLUXJGNIKHK-MRXNPFEDSA-N 2 2 349.454 1.531 20 0 EDADLP CN(C(=O)NCc1cccc(F)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771770711 580293405 /nfs/dbraw/zinc/29/34/05/580293405.db2.gz AHKCLUXJGNIKHK-MRXNPFEDSA-N 2 2 349.454 1.531 20 0 EDADLP CC(C)(C)[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000773300606 580332968 /nfs/dbraw/zinc/33/29/68/580332968.db2.gz ANQRBZQWFHLSPX-SUMWQHHRSA-N 2 2 333.436 1.834 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)C1 ZINC000773320893 580333995 /nfs/dbraw/zinc/33/39/95/580333995.db2.gz JMIYCYVNFGWZIG-SJCJKPOMSA-N 2 2 333.436 1.524 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)C1 ZINC000773320893 580333996 /nfs/dbraw/zinc/33/39/96/580333996.db2.gz JMIYCYVNFGWZIG-SJCJKPOMSA-N 2 2 333.436 1.524 20 0 EDADLP O=C1CCCN1C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000774912234 580377349 /nfs/dbraw/zinc/37/73/49/580377349.db2.gz FGQDWMWIPKOOJN-QZTJIDSGSA-N 2 2 331.460 1.396 20 0 EDADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCOCC1 ZINC000776028388 580406347 /nfs/dbraw/zinc/40/63/47/580406347.db2.gz BFOKJBLMRAGNEW-SFHVURJKSA-N 2 2 349.475 1.719 20 0 EDADLP c1nncn1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000776758268 580427893 /nfs/dbraw/zinc/42/78/93/580427893.db2.gz KLZCOOOPJWBQKJ-QGZVFWFLSA-N 2 2 341.463 1.165 20 0 EDADLP c1nncn1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000776758268 580427894 /nfs/dbraw/zinc/42/78/94/580427894.db2.gz KLZCOOOPJWBQKJ-QGZVFWFLSA-N 2 2 341.463 1.165 20 0 EDADLP COC(=O)c1cncc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000782307932 580571503 /nfs/dbraw/zinc/57/15/03/580571503.db2.gz YOMAYYDIGROUCF-UHFFFAOYSA-N 2 2 333.436 1.234 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000783970509 580609455 /nfs/dbraw/zinc/60/94/55/580609455.db2.gz GIYLDVPHLKPCFT-OAHLLOKOSA-N 2 2 333.480 1.500 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000783970509 580609456 /nfs/dbraw/zinc/60/94/56/580609456.db2.gz GIYLDVPHLKPCFT-OAHLLOKOSA-N 2 2 333.480 1.500 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000783979841 580609939 /nfs/dbraw/zinc/60/99/39/580609939.db2.gz YTFAOVLIZQFZRQ-INIZCTEOSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000783985253 580610214 /nfs/dbraw/zinc/61/02/14/580610214.db2.gz UEDQQOXEUJBDKN-HOTGVXAUSA-N 2 2 331.464 1.254 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2C2CCOCC2)C1 ZINC000783992524 580610746 /nfs/dbraw/zinc/61/07/46/580610746.db2.gz JPLMEUYPCLHTKP-CVEARBPZSA-N 2 2 332.448 1.585 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2C2CCOCC2)C1 ZINC000783992524 580610747 /nfs/dbraw/zinc/61/07/47/580610747.db2.gz JPLMEUYPCLHTKP-CVEARBPZSA-N 2 2 332.448 1.585 20 0 EDADLP CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000784896306 580630772 /nfs/dbraw/zinc/63/07/72/580630772.db2.gz PSOGKEKRXUJEJY-UHFFFAOYSA-N 2 2 344.419 1.006 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000785757389 580652474 /nfs/dbraw/zinc/65/24/74/580652474.db2.gz SQUKFSHGFZESOI-INIZCTEOSA-N 2 2 332.496 1.762 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000785757389 580652475 /nfs/dbraw/zinc/65/24/75/580652475.db2.gz SQUKFSHGFZESOI-INIZCTEOSA-N 2 2 332.496 1.762 20 0 EDADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000787886015 580708123 /nfs/dbraw/zinc/70/81/23/580708123.db2.gz KKURYENSOZVSHJ-UHFFFAOYSA-N 2 2 326.408 1.631 20 0 EDADLP NC(=O)COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000789767957 580753068 /nfs/dbraw/zinc/75/30/68/580753068.db2.gz CZAPGOMHBJLRKW-QGZVFWFLSA-N 2 2 327.384 1.599 20 0 EDADLP NC(=O)COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000789767957 580753069 /nfs/dbraw/zinc/75/30/69/580753069.db2.gz CZAPGOMHBJLRKW-QGZVFWFLSA-N 2 2 327.384 1.599 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3nnn(CC[NH+]4CCCC4)n3)C2)cc1 ZINC000789921620 580757012 /nfs/dbraw/zinc/75/70/12/580757012.db2.gz WNBSQQKGCANKRM-QGZVFWFLSA-N 2 2 342.447 1.342 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3nnn(CC[NH+]4CCCC4)n3)C2)cc1 ZINC000789921620 580757013 /nfs/dbraw/zinc/75/70/13/580757013.db2.gz WNBSQQKGCANKRM-QGZVFWFLSA-N 2 2 342.447 1.342 20 0 EDADLP CCn1ccc(C[N@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)c1 ZINC000790385546 580768126 /nfs/dbraw/zinc/76/81/26/580768126.db2.gz JNRCQYKNAUEXJZ-GOSISDBHSA-N 2 2 332.448 1.814 20 0 EDADLP CCn1ccc(C[N@@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)c1 ZINC000790385546 580768127 /nfs/dbraw/zinc/76/81/27/580768127.db2.gz JNRCQYKNAUEXJZ-GOSISDBHSA-N 2 2 332.448 1.814 20 0 EDADLP Cc1ccc(CCC[NH2+]C2CCN(CCS(C)(=O)=O)CC2)c[nH+]1 ZINC000792960757 580832224 /nfs/dbraw/zinc/83/22/24/580832224.db2.gz PXLMQONLYVZGOM-UHFFFAOYSA-N 2 2 339.505 1.421 20 0 EDADLP COc1cccc([C@@H]2CC(=O)N(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2)c1 ZINC000793764605 580855159 /nfs/dbraw/zinc/85/51/59/580855159.db2.gz HGCWGEAVKHXMBY-YLJYHZDGSA-N 2 2 343.471 1.996 20 0 EDADLP COc1cccc([C@@H]2CC(=O)N(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2)c1 ZINC000793764605 580855160 /nfs/dbraw/zinc/85/51/60/580855160.db2.gz HGCWGEAVKHXMBY-YLJYHZDGSA-N 2 2 343.471 1.996 20 0 EDADLP COc1cccc([C@@H]2CC(=O)N(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)C2)c1 ZINC000793764605 580855161 /nfs/dbraw/zinc/85/51/61/580855161.db2.gz HGCWGEAVKHXMBY-YLJYHZDGSA-N 2 2 343.471 1.996 20 0 EDADLP COc1cccc([C@@H]2CC(=O)N(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)c1 ZINC000793764605 580855162 /nfs/dbraw/zinc/85/51/62/580855162.db2.gz HGCWGEAVKHXMBY-YLJYHZDGSA-N 2 2 343.471 1.996 20 0 EDADLP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1OC(F)(F)F ZINC000796526300 580955756 /nfs/dbraw/zinc/95/57/56/580955756.db2.gz UNCSKYAWLXVCCM-OCCSQVGLSA-N 2 2 348.365 1.665 20 0 EDADLP O=C1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126693 581017704 /nfs/dbraw/zinc/01/77/04/581017704.db2.gz ICCYHUOOIYSUHK-SQNIBIBYSA-N 2 2 341.455 1.778 20 0 EDADLP O=C1CC[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126693 581017705 /nfs/dbraw/zinc/01/77/05/581017705.db2.gz ICCYHUOOIYSUHK-SQNIBIBYSA-N 2 2 341.455 1.778 20 0 EDADLP O=C1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126693 581017706 /nfs/dbraw/zinc/01/77/06/581017706.db2.gz ICCYHUOOIYSUHK-SQNIBIBYSA-N 2 2 341.455 1.778 20 0 EDADLP O=C1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126693 581017707 /nfs/dbraw/zinc/01/77/07/581017707.db2.gz ICCYHUOOIYSUHK-SQNIBIBYSA-N 2 2 341.455 1.778 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc(C(C)(C)C)co2)CC1 ZINC000891834189 590645518 /nfs/dbraw/zinc/64/55/18/590645518.db2.gz PEOXJCYVKXACQG-UHFFFAOYSA-N 2 2 336.480 1.862 20 0 EDADLP Cc1cc(N)nc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)[nH+]1 ZINC000891840988 590648128 /nfs/dbraw/zinc/64/81/28/590648128.db2.gz ZBTHZPVRGYPIMB-STQMWFEESA-N 2 2 328.420 1.988 20 0 EDADLP Cc1nc(N2CCC[N@H+](CC(N)=O)CC2)cc(Nc2ccccc2)[nH+]1 ZINC000891934634 590695017 /nfs/dbraw/zinc/69/50/17/590695017.db2.gz IJVUPHJRHCLHQB-UHFFFAOYSA-N 2 2 340.431 1.526 20 0 EDADLP Cc1nc(N2CCC[N@@H+](CC(N)=O)CC2)cc(Nc2ccccc2)[nH+]1 ZINC000891934634 590695019 /nfs/dbraw/zinc/69/50/19/590695019.db2.gz IJVUPHJRHCLHQB-UHFFFAOYSA-N 2 2 340.431 1.526 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000892019704 590750697 /nfs/dbraw/zinc/75/06/97/590750697.db2.gz RIXHDOFLJIDMBS-ZWKOTPCHSA-N 2 2 348.491 1.478 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000892019704 590750701 /nfs/dbraw/zinc/75/07/01/590750701.db2.gz RIXHDOFLJIDMBS-ZWKOTPCHSA-N 2 2 348.491 1.478 20 0 EDADLP COCC[NH+]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000203160219 590779870 /nfs/dbraw/zinc/77/98/70/590779870.db2.gz JLYFWAINGNDEPS-UHFFFAOYSA-N 2 2 327.432 1.857 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000892176160 590845926 /nfs/dbraw/zinc/84/59/26/590845926.db2.gz RPLMBWCFILQQAE-GOSISDBHSA-N 2 2 343.471 1.750 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892265355 590898588 /nfs/dbraw/zinc/89/85/88/590898588.db2.gz NXJDPWCYWICIQO-KRWDZBQOSA-N 2 2 347.507 1.229 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C1 ZINC000892265355 590898591 /nfs/dbraw/zinc/89/85/91/590898591.db2.gz NXJDPWCYWICIQO-KRWDZBQOSA-N 2 2 347.507 1.229 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC000892282773 590912751 /nfs/dbraw/zinc/91/27/51/590912751.db2.gz NADXMZQJLQOIDY-KBXCAEBGSA-N 2 2 346.479 1.904 20 0 EDADLP CC1(C)CC[C@H](CNC(=O)N2CC[NH+](Cc3ccco3)CC2)[NH2+]C1 ZINC000892393466 591008680 /nfs/dbraw/zinc/00/86/80/591008680.db2.gz OKWZMBJGRIYJSZ-OAHLLOKOSA-N 2 2 334.464 1.885 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000892498201 591049918 /nfs/dbraw/zinc/04/99/18/591049918.db2.gz FOZISWNNSPTZQF-KRWDZBQOSA-N 2 2 345.491 1.687 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891344846 591051907 /nfs/dbraw/zinc/05/19/07/591051907.db2.gz OOCMKKJNPAKZGH-LSDHHAIUSA-N 2 2 326.404 1.303 20 0 EDADLP O[C@H](C[NH2+]Cc1cn2ccnc2s1)C[N@@H+]1CCc2ccccc2C1 ZINC000892552742 591069455 /nfs/dbraw/zinc/06/94/55/591069455.db2.gz BOXXVKYGZIAYPC-MRXNPFEDSA-N 2 2 342.468 1.905 20 0 EDADLP O[C@H](C[NH2+]Cc1cn2ccnc2s1)C[N@H+]1CCc2ccccc2C1 ZINC000892552742 591069459 /nfs/dbraw/zinc/06/94/59/591069459.db2.gz BOXXVKYGZIAYPC-MRXNPFEDSA-N 2 2 342.468 1.905 20 0 EDADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000892561073 591072482 /nfs/dbraw/zinc/07/24/82/591072482.db2.gz YDFRLPLTIWEFKR-BWNRDHJKSA-N 2 2 328.460 1.764 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC([NH3+])CC3)C2)c1 ZINC000892609439 591093492 /nfs/dbraw/zinc/09/34/92/591093492.db2.gz PQKQYKCQYWCTFW-GOSISDBHSA-N 2 2 346.475 1.329 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC([NH3+])CC3)C2)c1 ZINC000892609439 591093497 /nfs/dbraw/zinc/09/34/97/591093497.db2.gz PQKQYKCQYWCTFW-GOSISDBHSA-N 2 2 346.475 1.329 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891505901 591098571 /nfs/dbraw/zinc/09/85/71/591098571.db2.gz BGOCFEQLSBCAOT-UHFFFAOYSA-N 2 2 346.475 1.242 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891505901 591098573 /nfs/dbraw/zinc/09/85/73/591098573.db2.gz BGOCFEQLSBCAOT-UHFFFAOYSA-N 2 2 346.475 1.242 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000892650522 591111060 /nfs/dbraw/zinc/11/10/60/591111060.db2.gz XCYQALDBVQPHHC-HNNXBMFYSA-N 2 2 341.496 1.992 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000891541649 591114735 /nfs/dbraw/zinc/11/47/35/591114735.db2.gz LGLRJWJAEUHKOL-BPQIPLTHSA-N 2 2 346.475 1.061 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000893865584 591120024 /nfs/dbraw/zinc/12/00/24/591120024.db2.gz GQHSBLFCOCELBE-SJORKVTESA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000891561131 591125957 /nfs/dbraw/zinc/12/59/57/591125957.db2.gz URVPGOSCMWQUBG-CVEARBPZSA-N 3 2 337.512 1.068 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000891561131 591125960 /nfs/dbraw/zinc/12/59/60/591125960.db2.gz URVPGOSCMWQUBG-CVEARBPZSA-N 3 2 337.512 1.068 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000891563924 591127364 /nfs/dbraw/zinc/12/73/64/591127364.db2.gz DXYWLCPKYQLAHW-UHIISALHSA-N 2 2 326.391 1.699 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000891653610 591170300 /nfs/dbraw/zinc/17/03/00/591170300.db2.gz FZECGHAZIAQUMM-HOCLYGCPSA-N 2 2 327.432 1.757 20 0 EDADLP Cn1ncc2c1nc[nH+]c2N1CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000891672690 591178071 /nfs/dbraw/zinc/17/80/71/591178071.db2.gz YGLLANDPTDJGHR-UHFFFAOYSA-N 2 2 344.810 1.321 20 0 EDADLP CC1(C)CC[N@@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000891719385 591197911 /nfs/dbraw/zinc/19/79/11/591197911.db2.gz RCPCZLSMDYTWCK-UHFFFAOYSA-N 2 2 329.448 1.908 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000891728488 591201353 /nfs/dbraw/zinc/20/13/53/591201353.db2.gz DAWJQBFNIBFBMQ-NODPJGRNSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000891728488 591201355 /nfs/dbraw/zinc/20/13/55/591201355.db2.gz DAWJQBFNIBFBMQ-NODPJGRNSA-N 2 2 338.402 1.747 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000892893019 591217000 /nfs/dbraw/zinc/21/70/00/591217000.db2.gz JTYMUAQDNWHWNZ-INIZCTEOSA-N 2 2 328.464 1.052 20 0 EDADLP CCC1([NH3+])CCN(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000892926740 591225819 /nfs/dbraw/zinc/22/58/19/591225819.db2.gz XXXFIUGESZUHQL-UHFFFAOYSA-N 2 2 332.452 1.230 20 0 EDADLP CCC1([NH3+])CCN(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000892923873 591226481 /nfs/dbraw/zinc/22/64/81/591226481.db2.gz OSVVWHCYGXCQKS-MRXNPFEDSA-N 2 2 338.496 1.496 20 0 EDADLP F[C@H]1CC2(CC[C@H]1[NH2+]CC1([NH+]3CCCC3)CCOCC1)OCCO2 ZINC000892928018 591228115 /nfs/dbraw/zinc/22/81/15/591228115.db2.gz DVAZOZWAAGIFHV-JKSUJKDBSA-N 2 2 342.455 1.855 20 0 EDADLP COc1ccccc1CC(=O)N1CCC([NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000894218754 591233921 /nfs/dbraw/zinc/23/39/21/591233921.db2.gz LHMVWYNROBXYJX-UHFFFAOYSA-N 2 2 328.416 1.742 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@@H](CO)C2CC2)CC1 ZINC000892964747 591241783 /nfs/dbraw/zinc/24/17/83/591241783.db2.gz ABFOKNGTNPEKKU-HNNXBMFYSA-N 2 2 327.469 1.336 20 0 EDADLP C[C@H](O)CNc1cc(N[C@H](CC[NH+](C)C)c2cccnc2)nc[nH+]1 ZINC000895892422 591298477 /nfs/dbraw/zinc/29/84/77/591298477.db2.gz PNCUCHVSJUYILY-DZGCQCFKSA-N 2 2 330.436 1.769 20 0 EDADLP C[C@H](O)CNc1cc(N[C@H](CC[NH+](C)C)c2cccnc2)[nH+]cn1 ZINC000895892422 591298479 /nfs/dbraw/zinc/29/84/79/591298479.db2.gz PNCUCHVSJUYILY-DZGCQCFKSA-N 2 2 330.436 1.769 20 0 EDADLP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000888112947 591376841 /nfs/dbraw/zinc/37/68/41/591376841.db2.gz JGLKDJBLNGVFFV-WKILWMFISA-N 2 2 349.479 1.682 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000888112947 591376848 /nfs/dbraw/zinc/37/68/48/591376848.db2.gz JGLKDJBLNGVFFV-WKILWMFISA-N 2 2 349.479 1.682 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NCC2CC[NH+](CCN(C)C)CC2)c[nH+]1 ZINC000896410432 591457675 /nfs/dbraw/zinc/45/76/75/591457675.db2.gz MTOIBOUYXOCSJL-UHFFFAOYSA-N 2 2 335.496 1.316 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000897466035 591466708 /nfs/dbraw/zinc/46/67/08/591466708.db2.gz MWIDTNCQMVTYQM-INIZCTEOSA-N 2 2 338.496 1.082 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000897466035 591466711 /nfs/dbraw/zinc/46/67/11/591466711.db2.gz MWIDTNCQMVTYQM-INIZCTEOSA-N 2 2 338.496 1.082 20 0 EDADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]21 ZINC000896444549 591468970 /nfs/dbraw/zinc/46/89/70/591468970.db2.gz MIJWXAVNJOWIGI-IXDOHACOSA-N 2 2 326.400 1.898 20 0 EDADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]21 ZINC000896444549 591468973 /nfs/dbraw/zinc/46/89/73/591468973.db2.gz MIJWXAVNJOWIGI-IXDOHACOSA-N 2 2 326.400 1.898 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)[C@H]1OC ZINC000898719894 591483546 /nfs/dbraw/zinc/48/35/46/591483546.db2.gz HUXPSMSZOIOKOK-FBKDDSFISA-N 2 2 344.253 1.742 20 0 EDADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)C1 ZINC000898719207 591483875 /nfs/dbraw/zinc/48/38/75/591483875.db2.gz CUQOXZPFXPUIOG-OUAUKWLOSA-N 2 2 342.237 1.892 20 0 EDADLP C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898721830 591489423 /nfs/dbraw/zinc/48/94/23/591489423.db2.gz WBHNYYBVCHLJIJ-WDEREUQCSA-N 2 2 336.237 1.971 20 0 EDADLP C[NH+](C)CC1(O)CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000894955832 591491032 /nfs/dbraw/zinc/49/10/32/591491032.db2.gz IZHOYKGETHQDLZ-UHFFFAOYSA-N 2 2 325.416 1.775 20 0 EDADLP CC(C)c1cc(N(C)CC(=O)N2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000894956565 591491999 /nfs/dbraw/zinc/49/19/99/591491999.db2.gz BCKKWYGAEUSVPB-UHFFFAOYSA-N 2 2 333.480 1.934 20 0 EDADLP CON(C)C(=O)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000895046736 591540233 /nfs/dbraw/zinc/54/02/33/591540233.db2.gz SNAQUJCDUJEBBA-UHFFFAOYSA-N 2 2 340.855 1.201 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCCC[NH+](C)C2)[C@H](C)CO1 ZINC000897559059 591553232 /nfs/dbraw/zinc/55/32/32/591553232.db2.gz QOVMFDQPUMFNSR-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCCC[NH+](C)C2)[C@H](C)CO1 ZINC000897559059 591553235 /nfs/dbraw/zinc/55/32/35/591553235.db2.gz QOVMFDQPUMFNSR-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)[C@H](C)CO1 ZINC000897559059 591553236 /nfs/dbraw/zinc/55/32/36/591553236.db2.gz QOVMFDQPUMFNSR-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)[C@H](C)CO1 ZINC000897559059 591553240 /nfs/dbraw/zinc/55/32/40/591553240.db2.gz QOVMFDQPUMFNSR-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1ccc(F)cc1F ZINC000896620835 591556337 /nfs/dbraw/zinc/55/63/37/591556337.db2.gz TTZXJKCRGOSODS-IUODEOHRSA-N 2 2 349.385 1.791 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1ccc(F)cc1F ZINC000896620835 591556341 /nfs/dbraw/zinc/55/63/41/591556341.db2.gz TTZXJKCRGOSODS-IUODEOHRSA-N 2 2 349.385 1.791 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c[nH+]1 ZINC000897593127 591574517 /nfs/dbraw/zinc/57/45/17/591574517.db2.gz AIRIEDDRRQCRAY-OAHLLOKOSA-N 2 2 334.464 1.638 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c[nH+]1 ZINC000897593127 591574518 /nfs/dbraw/zinc/57/45/18/591574518.db2.gz AIRIEDDRRQCRAY-OAHLLOKOSA-N 2 2 334.464 1.638 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1(CO)CC1 ZINC000895343672 591721920 /nfs/dbraw/zinc/72/19/20/591721920.db2.gz JTMNLKFTCIWOMS-AWEZNQCLSA-N 2 2 341.496 1.726 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cnc(Br)cn2)CC1 ZINC000895407223 591745730 /nfs/dbraw/zinc/74/57/30/591745730.db2.gz OCGZVERCHCQYRP-UHFFFAOYSA-N 2 2 343.269 1.564 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000895417320 591750276 /nfs/dbraw/zinc/75/02/76/591750276.db2.gz XPVGKXFQZQZSJG-AWEZNQCLSA-N 2 2 327.469 1.288 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000895417320 591750280 /nfs/dbraw/zinc/75/02/80/591750280.db2.gz XPVGKXFQZQZSJG-AWEZNQCLSA-N 2 2 327.469 1.288 20 0 EDADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000895440798 591759312 /nfs/dbraw/zinc/75/93/12/591759312.db2.gz YYUCPUCSDNMYNH-GOSISDBHSA-N 2 2 329.444 1.052 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)s1 ZINC000897178043 591759928 /nfs/dbraw/zinc/75/99/28/591759928.db2.gz ZJMNHCKGOOSWRP-CQSZACIVSA-N 2 2 339.505 1.958 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)s1 ZINC000897178043 591759930 /nfs/dbraw/zinc/75/99/30/591759930.db2.gz ZJMNHCKGOOSWRP-CQSZACIVSA-N 2 2 339.505 1.958 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c[nH+]1 ZINC000897260261 591792330 /nfs/dbraw/zinc/79/23/30/591792330.db2.gz XJHYYVSTZAFLLJ-UHFFFAOYSA-N 2 2 345.447 1.578 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc3c(cn2)OCCO3)CCN1c1cc[nH+]cc1 ZINC000895556715 591800335 /nfs/dbraw/zinc/80/03/35/591800335.db2.gz IPNBQSVFCNHENV-CQSZACIVSA-N 2 2 326.400 1.959 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc3c(cn2)OCCO3)CCN1c1cc[nH+]cc1 ZINC000895556715 591800338 /nfs/dbraw/zinc/80/03/38/591800338.db2.gz IPNBQSVFCNHENV-CQSZACIVSA-N 2 2 326.400 1.959 20 0 EDADLP C[C@H]1C[N@H+](Cc2cc3c(cn2)OCCO3)CCN1c1cc[nH+]cc1 ZINC000895556714 591800655 /nfs/dbraw/zinc/80/06/55/591800655.db2.gz IPNBQSVFCNHENV-AWEZNQCLSA-N 2 2 326.400 1.959 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cc3c(cn2)OCCO3)CCN1c1cc[nH+]cc1 ZINC000895556714 591800657 /nfs/dbraw/zinc/80/06/57/591800657.db2.gz IPNBQSVFCNHENV-AWEZNQCLSA-N 2 2 326.400 1.959 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000899972961 591845924 /nfs/dbraw/zinc/84/59/24/591845924.db2.gz VIKMVUHGLQMTBW-MJGOQNOKSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000899972961 591845927 /nfs/dbraw/zinc/84/59/27/591845927.db2.gz VIKMVUHGLQMTBW-MJGOQNOKSA-N 2 2 331.460 1.094 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000899977010 591854168 /nfs/dbraw/zinc/85/41/68/591854168.db2.gz JEPYPQROJNRBNP-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000899977010 591854171 /nfs/dbraw/zinc/85/41/71/591854171.db2.gz JEPYPQROJNRBNP-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP Cc1ncccc1CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000898256084 591855017 /nfs/dbraw/zinc/85/50/17/591855017.db2.gz RICVWNAENMHDSJ-UHFFFAOYSA-N 2 2 332.492 1.319 20 0 EDADLP Cc1ncccc1CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000898256084 591855018 /nfs/dbraw/zinc/85/50/18/591855018.db2.gz RICVWNAENMHDSJ-UHFFFAOYSA-N 2 2 332.492 1.319 20 0 EDADLP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000900003087 591861153 /nfs/dbraw/zinc/86/11/53/591861153.db2.gz BAJHFTLZRXVBHS-ROUUACIJSA-N 2 2 328.460 1.743 20 0 EDADLP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000900003087 591861155 /nfs/dbraw/zinc/86/11/55/591861155.db2.gz BAJHFTLZRXVBHS-ROUUACIJSA-N 2 2 328.460 1.743 20 0 EDADLP O=C([O-])C[NH+]1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000902111284 591920613 /nfs/dbraw/zinc/92/06/13/591920613.db2.gz JZKKAIMFHMVRDP-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP O=C([O-])C[NH+]1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000902111284 591920616 /nfs/dbraw/zinc/92/06/16/591920616.db2.gz JZKKAIMFHMVRDP-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP C[NH+](C)CCNC(=O)c1ccc(NC(=O)CNc2cccc[nH+]2)cc1 ZINC000900177480 591939672 /nfs/dbraw/zinc/93/96/72/591939672.db2.gz PNGRGSUEPUGCAJ-UHFFFAOYSA-N 2 2 341.415 1.424 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000900223509 591954769 /nfs/dbraw/zinc/95/47/69/591954769.db2.gz VYJAMEFKELOELN-QAPCUYQASA-N 2 2 332.448 1.143 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000900223509 591954773 /nfs/dbraw/zinc/95/47/73/591954773.db2.gz VYJAMEFKELOELN-QAPCUYQASA-N 2 2 332.448 1.143 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000900273015 591975513 /nfs/dbraw/zinc/97/55/13/591975513.db2.gz UMZQRVHXHCNJFI-GOSISDBHSA-N 2 2 328.416 1.872 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900273015 591975515 /nfs/dbraw/zinc/97/55/15/591975515.db2.gz UMZQRVHXHCNJFI-GOSISDBHSA-N 2 2 328.416 1.872 20 0 EDADLP C/C(=C/C(=O)N1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000899909080 591975591 /nfs/dbraw/zinc/97/55/91/591975591.db2.gz JICYFWBUGSOGAN-SDXDJHTJSA-N 2 2 343.471 1.609 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+]1CCN(c3cc[nH+]cc3)[C@@H](C)C1)C2=O ZINC000902366952 591981267 /nfs/dbraw/zinc/98/12/67/591981267.db2.gz AVSHZMFBSRBRIY-URLQWDBASA-N 2 2 342.443 1.581 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+]1CCN(c3cc[nH+]cc3)[C@@H](C)C1)C2=O ZINC000902366952 591981271 /nfs/dbraw/zinc/98/12/71/591981271.db2.gz AVSHZMFBSRBRIY-URLQWDBASA-N 2 2 342.443 1.581 20 0 EDADLP CCOC(=O)c1sc2ncnc(N3CC[NH2+]CC[NH2+]CC3)c2c1C ZINC000900369080 591998875 /nfs/dbraw/zinc/99/88/75/591998875.db2.gz FZYHRGIIRXNRRD-UHFFFAOYSA-N 2 2 349.460 1.176 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900410412 592010761 /nfs/dbraw/zinc/01/07/61/592010761.db2.gz SWGLLZCOTUPZEZ-HZPDHXFCSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900410412 592010764 /nfs/dbraw/zinc/01/07/64/592010764.db2.gz SWGLLZCOTUPZEZ-HZPDHXFCSA-N 2 2 325.416 1.900 20 0 EDADLP CCn1c[nH+]c(CNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000902594943 592016139 /nfs/dbraw/zinc/01/61/39/592016139.db2.gz XKLLVDKFJPKOKD-UHFFFAOYSA-N 2 2 327.432 1.903 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000900477328 592028895 /nfs/dbraw/zinc/02/88/95/592028895.db2.gz CFSIWMYJBJKQIH-AUUYWEPGSA-N 2 2 348.491 1.458 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)N2CC(Oc3cc[nH+]cc3)C2)CC1 ZINC000900539547 592051054 /nfs/dbraw/zinc/05/10/54/592051054.db2.gz UFMYGBZHZKFIID-UHFFFAOYSA-N 2 2 346.475 1.477 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000900601096 592065344 /nfs/dbraw/zinc/06/53/44/592065344.db2.gz DMZQUXPMIBLHIN-VZVUQDNOSA-N 2 2 346.475 1.888 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H](c2ccccn2)C2CC2)CN1CC[NH+]1CCOCC1 ZINC000903118633 592123284 /nfs/dbraw/zinc/12/32/84/592123284.db2.gz GFFZPCZWVMLAPO-QFBILLFUSA-N 2 2 344.459 1.055 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000903130589 592125152 /nfs/dbraw/zinc/12/51/52/592125152.db2.gz LATQNWNPMWUVOD-RRCSTGOVSA-N 2 2 333.480 1.694 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000903130589 592125153 /nfs/dbraw/zinc/12/51/53/592125153.db2.gz LATQNWNPMWUVOD-RRCSTGOVSA-N 2 2 333.480 1.694 20 0 EDADLP C([C@@H]1CCCO1)[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000903269792 592149245 /nfs/dbraw/zinc/14/92/45/592149245.db2.gz BORJBRAKOVAITE-RCCFBDPRSA-N 2 2 339.549 1.799 20 0 EDADLP C([C@@H]1CCCO1)[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000903269792 592149248 /nfs/dbraw/zinc/14/92/48/592149248.db2.gz BORJBRAKOVAITE-RCCFBDPRSA-N 2 2 339.549 1.799 20 0 EDADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903289868 592153943 /nfs/dbraw/zinc/15/39/43/592153943.db2.gz UOXVHADOSCFLIN-OAHLLOKOSA-N 2 2 348.472 1.949 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nnnn1C ZINC000903345005 592156580 /nfs/dbraw/zinc/15/65/80/592156580.db2.gz UBUUMGQMOYIULT-ZBFHGGJFSA-N 2 2 329.452 1.038 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1nnnn1C ZINC000903345005 592156582 /nfs/dbraw/zinc/15/65/82/592156582.db2.gz UBUUMGQMOYIULT-ZBFHGGJFSA-N 2 2 329.452 1.038 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000903440704 592170121 /nfs/dbraw/zinc/17/01/21/592170121.db2.gz ABBKAEHJVAKPPL-WBVHZDCISA-N 2 2 331.460 1.431 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc(OC)c1 ZINC000903444497 592172973 /nfs/dbraw/zinc/17/29/73/592172973.db2.gz AKRDZRPESCIJFB-WBVHZDCISA-N 2 2 333.476 1.677 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903471146 592175680 /nfs/dbraw/zinc/17/56/80/592175680.db2.gz QCIHEPDQLDGCQK-QGZVFWFLSA-N 2 2 331.460 1.964 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CN(Cc2cc(C(F)(F)F)n(C)n2)C[C@H]1[NH3+] ZINC000903479670 592176644 /nfs/dbraw/zinc/17/66/44/592176644.db2.gz VKSPZZLESVHXFS-GHMZBOCLSA-N 2 2 328.342 1.099 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1OC ZINC000903465901 592178693 /nfs/dbraw/zinc/17/86/93/592178693.db2.gz NIRRVYWELFOQQF-MRXNPFEDSA-N 2 2 347.459 1.536 20 0 EDADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903526150 592198360 /nfs/dbraw/zinc/19/83/60/592198360.db2.gz AKCOUPQFOYBMJD-HNNXBMFYSA-N 2 2 345.443 1.373 20 0 EDADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903526150 592198363 /nfs/dbraw/zinc/19/83/63/592198363.db2.gz AKCOUPQFOYBMJD-HNNXBMFYSA-N 2 2 345.443 1.373 20 0 EDADLP O=S(=O)(c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562834 592210734 /nfs/dbraw/zinc/21/07/34/592210734.db2.gz WFGFJHWMAMOJAO-OKILXGFUSA-N 2 2 341.502 1.337 20 0 EDADLP O=S(=O)(c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562834 592210736 /nfs/dbraw/zinc/21/07/36/592210736.db2.gz WFGFJHWMAMOJAO-OKILXGFUSA-N 2 2 341.502 1.337 20 0 EDADLP COC(=O)c1cn([C@H]2CCC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)nn1 ZINC000904345210 592235223 /nfs/dbraw/zinc/23/52/23/592235223.db2.gz ABTRROGMRLTZGZ-KBPBESRZSA-N 2 2 337.468 1.855 20 0 EDADLP COC(=O)c1cn([C@H]2CCC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)nn1 ZINC000904345210 592235226 /nfs/dbraw/zinc/23/52/26/592235226.db2.gz ABTRROGMRLTZGZ-KBPBESRZSA-N 2 2 337.468 1.855 20 0 EDADLP C[C@]1(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCC[NH2+]C1 ZINC000904377733 592245474 /nfs/dbraw/zinc/24/54/74/592245474.db2.gz XJWPBKABNOMEQV-AABGKKOBSA-N 2 2 329.488 1.961 20 0 EDADLP C[C@]1(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCC[NH2+]C1 ZINC000904377733 592245477 /nfs/dbraw/zinc/24/54/77/592245477.db2.gz XJWPBKABNOMEQV-AABGKKOBSA-N 2 2 329.488 1.961 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3c[nH]nc3-c3cccs3)C[C@H]2[NH3+])c1 ZINC000904493376 592266675 /nfs/dbraw/zinc/26/66/75/592266675.db2.gz AMFOIOJRIHBEEW-CHWSQXEVSA-N 2 2 328.445 1.798 20 0 EDADLP C/C=C\[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201289 592283595 /nfs/dbraw/zinc/28/35/95/592283595.db2.gz OBAJSDYGJWZVCE-AWRCXPFVSA-N 2 2 337.508 1.719 20 0 EDADLP C/C=C\[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201289 592283598 /nfs/dbraw/zinc/28/35/98/592283598.db2.gz OBAJSDYGJWZVCE-AWRCXPFVSA-N 2 2 337.508 1.719 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903724210 592283950 /nfs/dbraw/zinc/28/39/50/592283950.db2.gz LYHOYONZEUERPJ-MRXNPFEDSA-N 2 2 331.460 1.843 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCCC[C@@H]3C3(C[NH3+])CCC3)cc2C1 ZINC000904541410 592284190 /nfs/dbraw/zinc/28/41/90/592284190.db2.gz YKPFXADLBPOYNK-OAHLLOKOSA-N 2 2 346.479 1.844 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCCC[C@@H]3C3(C[NH3+])CCC3)cc2C1 ZINC000904541410 592284194 /nfs/dbraw/zinc/28/41/94/592284194.db2.gz YKPFXADLBPOYNK-OAHLLOKOSA-N 2 2 346.479 1.844 20 0 EDADLP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000903740005 592302008 /nfs/dbraw/zinc/30/20/08/592302008.db2.gz BXIJAVGSDFMTKI-MOPGFXCFSA-N 3 2 347.507 1.048 20 0 EDADLP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC[NH+](CCn2cccn2)CC1 ZINC000903740005 592302012 /nfs/dbraw/zinc/30/20/12/592302012.db2.gz BXIJAVGSDFMTKI-MOPGFXCFSA-N 3 2 347.507 1.048 20 0 EDADLP C/C(=C\C(=O)N1CCC(CCC[NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000901277799 592310141 /nfs/dbraw/zinc/31/01/41/592310141.db2.gz YIBVCSIAEVTXEN-BMRADRMJSA-N 2 2 337.508 1.845 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000908118131 592329902 /nfs/dbraw/zinc/32/99/02/592329902.db2.gz JGHDFXZKQIFCBW-ARFHVFGLSA-N 2 2 347.463 1.415 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000908118131 592329905 /nfs/dbraw/zinc/32/99/05/592329905.db2.gz JGHDFXZKQIFCBW-ARFHVFGLSA-N 2 2 347.463 1.415 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+](Cc2ncon2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908118131 592329913 /nfs/dbraw/zinc/32/99/13/592329913.db2.gz JGHDFXZKQIFCBW-ARFHVFGLSA-N 2 2 347.463 1.415 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+](Cc2ncon2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908118131 592329918 /nfs/dbraw/zinc/32/99/18/592329918.db2.gz JGHDFXZKQIFCBW-ARFHVFGLSA-N 2 2 347.463 1.415 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903852687 592345617 /nfs/dbraw/zinc/34/56/17/592345617.db2.gz BTBYSQOHIQAMRM-LPHOPBHVSA-N 2 2 331.460 1.857 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903852687 592345622 /nfs/dbraw/zinc/34/56/22/592345622.db2.gz BTBYSQOHIQAMRM-LPHOPBHVSA-N 2 2 331.460 1.857 20 0 EDADLP COc1ccc(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1OC ZINC000903878719 592360190 /nfs/dbraw/zinc/36/01/90/592360190.db2.gz XINMEBLTFRQFSW-OAHLLOKOSA-N 2 2 345.447 1.852 20 0 EDADLP COc1ccc(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1OC ZINC000903878719 592360195 /nfs/dbraw/zinc/36/01/95/592360195.db2.gz XINMEBLTFRQFSW-OAHLLOKOSA-N 2 2 345.447 1.852 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903892353 592364850 /nfs/dbraw/zinc/36/48/50/592364850.db2.gz RGGXCMAXTITXDV-CHWSQXEVSA-N 2 2 332.439 1.034 20 0 EDADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000903937968 592388032 /nfs/dbraw/zinc/38/80/32/592388032.db2.gz WHTMYFWZPRRCGC-YIYPIFLZSA-N 2 2 333.423 1.101 20 0 EDADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000903937968 592388036 /nfs/dbraw/zinc/38/80/36/592388036.db2.gz WHTMYFWZPRRCGC-YIYPIFLZSA-N 2 2 333.423 1.101 20 0 EDADLP c1c(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000903959817 592390012 /nfs/dbraw/zinc/39/00/12/592390012.db2.gz PIUMLDXUCBOEIS-GOSISDBHSA-N 2 2 326.448 1.687 20 0 EDADLP c1c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000903959817 592390017 /nfs/dbraw/zinc/39/00/17/592390017.db2.gz PIUMLDXUCBOEIS-GOSISDBHSA-N 2 2 326.448 1.687 20 0 EDADLP O[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903918024 592390513 /nfs/dbraw/zinc/39/05/13/592390513.db2.gz QOEXYDYFJKVFEB-JQHSSLGASA-N 2 2 345.422 1.650 20 0 EDADLP O[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903918024 592390518 /nfs/dbraw/zinc/39/05/18/592390518.db2.gz QOEXYDYFJKVFEB-JQHSSLGASA-N 2 2 345.422 1.650 20 0 EDADLP Cc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)ccc1-n1cncn1 ZINC000903974993 592398169 /nfs/dbraw/zinc/39/81/69/592398169.db2.gz YENXRUDQTXPWOZ-QGZVFWFLSA-N 2 2 341.459 1.824 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cnn1C ZINC000903986660 592405755 /nfs/dbraw/zinc/40/57/55/592405755.db2.gz OXDYOPYJDXGWND-WCQYABFASA-N 2 2 336.427 1.826 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCS[C@@H](C(F)(F)F)C2)cnn1C ZINC000903986660 592405757 /nfs/dbraw/zinc/40/57/57/592405757.db2.gz OXDYOPYJDXGWND-WCQYABFASA-N 2 2 336.427 1.826 20 0 EDADLP COCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000904100327 592424745 /nfs/dbraw/zinc/42/47/45/592424745.db2.gz BDNKVIHVMKDHGI-OAHLLOKOSA-N 2 2 332.404 1.605 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]cc(Br)n2C1)C(=O)NC1CC1 ZINC000901729580 592446473 /nfs/dbraw/zinc/44/64/73/592446473.db2.gz RXOLMSFBPZIESX-SCZZXKLOSA-N 2 2 327.226 1.217 20 0 EDADLP C/C(=C\C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000908357670 592476590 /nfs/dbraw/zinc/47/65/90/592476590.db2.gz HXBJEXFWHWWGHU-MOKGIYGOSA-N 2 2 335.492 1.598 20 0 EDADLP C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905337937 592509887 /nfs/dbraw/zinc/50/98/87/592509887.db2.gz NGXZUXCGJLBUCR-CQSZACIVSA-N 2 2 348.472 1.852 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905398248 592520418 /nfs/dbraw/zinc/52/04/18/592520418.db2.gz HLDAICVBFKZSJE-KSZLIROESA-N 2 2 336.476 1.296 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905398248 592520419 /nfs/dbraw/zinc/52/04/19/592520419.db2.gz HLDAICVBFKZSJE-KSZLIROESA-N 2 2 336.476 1.296 20 0 EDADLP CCN1C[C@@H](C[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)Oc2ccccc21 ZINC000908553120 592535690 /nfs/dbraw/zinc/53/56/90/592535690.db2.gz NZPLYQULSAVLPV-IAGOWNOFSA-N 2 2 333.476 1.662 20 0 EDADLP CCN1C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)Oc2ccccc21 ZINC000908553120 592535692 /nfs/dbraw/zinc/53/56/92/592535692.db2.gz NZPLYQULSAVLPV-IAGOWNOFSA-N 2 2 333.476 1.662 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000905545161 592557618 /nfs/dbraw/zinc/55/76/18/592557618.db2.gz WWNDFCHSAWNTSB-FVQBIDKESA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000905545161 592557621 /nfs/dbraw/zinc/55/76/21/592557621.db2.gz WWNDFCHSAWNTSB-FVQBIDKESA-N 2 2 341.496 1.677 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCO[C@H]3CCOC3)c2cc1C ZINC000905608934 592577518 /nfs/dbraw/zinc/57/75/18/592577518.db2.gz LJJUDBLUKTUFGU-CVEARBPZSA-N 2 2 333.432 1.409 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)COCc1cccs1 ZINC000905619858 592587161 /nfs/dbraw/zinc/58/71/61/592587161.db2.gz AWNZTLUWGLWYEH-JKSUJKDBSA-N 2 2 340.489 1.469 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)COCc1cccs1 ZINC000905619858 592587163 /nfs/dbraw/zinc/58/71/63/592587163.db2.gz AWNZTLUWGLWYEH-JKSUJKDBSA-N 2 2 340.489 1.469 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905623389 592588804 /nfs/dbraw/zinc/58/88/04/592588804.db2.gz IYQUTMDGNSSODA-MSOLQXFVSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000905623389 592588805 /nfs/dbraw/zinc/58/88/05/592588805.db2.gz IYQUTMDGNSSODA-MSOLQXFVSA-N 2 2 334.460 1.578 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCCC[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000905679837 592610241 /nfs/dbraw/zinc/61/02/41/592610241.db2.gz LVCCITAZTLWUSK-YJBOKZPZSA-N 2 2 331.464 1.408 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCCC[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000905679837 592610242 /nfs/dbraw/zinc/61/02/42/592610242.db2.gz LVCCITAZTLWUSK-YJBOKZPZSA-N 2 2 331.464 1.408 20 0 EDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1cc(NCC3CC3)nc[nH+]1)C2 ZINC000905692898 592623755 /nfs/dbraw/zinc/62/37/55/592623755.db2.gz JPIMYLYXOGXDRB-AHIWAGSCSA-N 2 2 331.420 1.015 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)CC2(CO)CCCC2)C[C@@H](C)O1 ZINC000905896873 592671389 /nfs/dbraw/zinc/67/13/89/592671389.db2.gz PPSQZERPPQMHDP-BRWVUGGUSA-N 2 2 328.497 1.379 20 0 EDADLP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907555346 592705406 /nfs/dbraw/zinc/70/54/06/592705406.db2.gz VZXLHNROTWRWPH-GOSISDBHSA-N 2 2 328.416 1.048 20 0 EDADLP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907555346 592705408 /nfs/dbraw/zinc/70/54/08/592705408.db2.gz VZXLHNROTWRWPH-GOSISDBHSA-N 2 2 328.416 1.048 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCO1 ZINC000907561630 592709068 /nfs/dbraw/zinc/70/90/68/592709068.db2.gz VATYJIANQWFUNQ-AESZEHBQSA-N 2 2 332.448 1.773 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCO1 ZINC000907561630 592709071 /nfs/dbraw/zinc/70/90/71/592709071.db2.gz VATYJIANQWFUNQ-AESZEHBQSA-N 2 2 332.448 1.773 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000907564190 592710921 /nfs/dbraw/zinc/71/09/21/592710921.db2.gz NILGQJFNIHAFDT-HZPDHXFCSA-N 2 2 333.480 1.357 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000907564190 592710924 /nfs/dbraw/zinc/71/09/24/592710924.db2.gz NILGQJFNIHAFDT-HZPDHXFCSA-N 2 2 333.480 1.357 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907569357 592714689 /nfs/dbraw/zinc/71/46/89/592714689.db2.gz LWMXQLPWTFJSFK-CQSZACIVSA-N 2 2 330.432 1.223 20 0 EDADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)cccc21 ZINC000907844957 592824600 /nfs/dbraw/zinc/82/46/00/592824600.db2.gz VBSNRJDHYLZQNB-DWQUBVKVSA-N 2 2 333.432 1.465 20 0 EDADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)cccc21 ZINC000907844957 592824602 /nfs/dbraw/zinc/82/46/02/592824602.db2.gz VBSNRJDHYLZQNB-DWQUBVKVSA-N 2 2 333.432 1.465 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000906641311 592864832 /nfs/dbraw/zinc/86/48/32/592864832.db2.gz FQYZUGGNIAZAJY-QZTJIDSGSA-N 2 2 337.508 1.822 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000906641311 592864834 /nfs/dbraw/zinc/86/48/34/592864834.db2.gz FQYZUGGNIAZAJY-QZTJIDSGSA-N 2 2 337.508 1.822 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000910872674 592898887 /nfs/dbraw/zinc/89/88/87/592898887.db2.gz TYAFURYOHDHFQP-QGZVFWFLSA-N 2 2 348.491 1.387 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000910872674 592898888 /nfs/dbraw/zinc/89/88/88/592898888.db2.gz TYAFURYOHDHFQP-QGZVFWFLSA-N 2 2 348.491 1.387 20 0 EDADLP CCCC1CCC(NC(=O)C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000911060415 592917282 /nfs/dbraw/zinc/91/72/82/592917282.db2.gz MGKCIAXLOMWKAY-UHFFFAOYSA-N 2 2 338.496 1.001 20 0 EDADLP Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000911255093 592976117 /nfs/dbraw/zinc/97/61/17/592976117.db2.gz LSXSIDKLGXAVOU-OAHLLOKOSA-N 2 2 346.475 1.020 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)C1 ZINC000911740474 592994163 /nfs/dbraw/zinc/99/41/63/592994163.db2.gz DJTPZWSDVPWOFX-KRWDZBQOSA-N 2 2 326.400 1.906 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)C1 ZINC000911740474 592994165 /nfs/dbraw/zinc/99/41/65/592994165.db2.gz DJTPZWSDVPWOFX-KRWDZBQOSA-N 2 2 326.400 1.906 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000736231280 592995498 /nfs/dbraw/zinc/99/54/98/592995498.db2.gz WSNUGLFUOBKAED-UKRRQHHQSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000736231280 592995501 /nfs/dbraw/zinc/99/55/01/592995501.db2.gz WSNUGLFUOBKAED-UKRRQHHQSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736231280 592995503 /nfs/dbraw/zinc/99/55/03/592995503.db2.gz WSNUGLFUOBKAED-UKRRQHHQSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736231280 592995505 /nfs/dbraw/zinc/99/55/05/592995505.db2.gz WSNUGLFUOBKAED-UKRRQHHQSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)CCO1 ZINC000911882741 593030311 /nfs/dbraw/zinc/03/03/11/593030311.db2.gz VUCCNFNINMPPNZ-DCAQKATOSA-N 2 2 334.342 1.031 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000911990963 593046667 /nfs/dbraw/zinc/04/66/67/593046667.db2.gz OCMHOUPYYAHEPI-KRWDZBQOSA-N 2 2 336.439 1.964 20 0 EDADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000912592782 593107080 /nfs/dbraw/zinc/10/70/80/593107080.db2.gz WOSDWVLXPCLRKL-UHFFFAOYSA-N 2 2 344.459 1.476 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000838632471 593198602 /nfs/dbraw/zinc/19/86/02/593198602.db2.gz GOCNBMSRKTZOCC-CVEARBPZSA-N 2 2 343.431 1.939 20 0 EDADLP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000839853775 593199688 /nfs/dbraw/zinc/19/96/88/593199688.db2.gz LMYIXRBWWZMWQU-KRWDZBQOSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000839853775 593199691 /nfs/dbraw/zinc/19/96/91/593199691.db2.gz LMYIXRBWWZMWQU-KRWDZBQOSA-N 2 2 331.460 1.442 20 0 EDADLP CCOC(=O)CC(C)(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000838856484 593226097 /nfs/dbraw/zinc/22/60/97/593226097.db2.gz QPCLWHRWSGGWBI-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)CC(C)(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000838856484 593226099 /nfs/dbraw/zinc/22/60/99/593226099.db2.gz QPCLWHRWSGGWBI-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000838905801 593229830 /nfs/dbraw/zinc/22/98/30/593229830.db2.gz WSYVLETYBCQYGN-IYBDPMFKSA-N 2 2 328.372 1.287 20 0 EDADLP Cn1cc([C@H]2N(C[NH+]3CCC(n4cc[nH+]c4)CC3)C(=O)C2(C)C)cn1 ZINC000808161012 593231482 /nfs/dbraw/zinc/23/14/82/593231482.db2.gz UFRQXZDVCSXJSD-MRXNPFEDSA-N 2 2 342.447 1.821 20 0 EDADLP C[C@]1(C2CCCC2)NC(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000802733660 593273790 /nfs/dbraw/zinc/27/37/90/593273790.db2.gz XCPDMCDRYCQGCC-MAUKXSAKSA-N 2 2 345.447 1.978 20 0 EDADLP C[C@]1(C2CCCC2)NC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000802733660 593273792 /nfs/dbraw/zinc/27/37/92/593273792.db2.gz XCPDMCDRYCQGCC-MAUKXSAKSA-N 2 2 345.447 1.978 20 0 EDADLP Cn1c(Cl)nc(Cl)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000809742924 593357506 /nfs/dbraw/zinc/35/75/06/593357506.db2.gz MRHSFECMRATDPN-UHFFFAOYSA-N 2 2 334.295 1.796 20 0 EDADLP Cn1c(Cl)nc(Cl)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000809742924 593357508 /nfs/dbraw/zinc/35/75/08/593357508.db2.gz MRHSFECMRATDPN-UHFFFAOYSA-N 2 2 334.295 1.796 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000758239182 593398152 /nfs/dbraw/zinc/39/81/52/593398152.db2.gz CPHAZHPFUVQWGC-SJKOYZFVSA-N 2 2 331.420 1.278 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000758239182 593398156 /nfs/dbraw/zinc/39/81/56/593398156.db2.gz CPHAZHPFUVQWGC-SJKOYZFVSA-N 2 2 331.420 1.278 20 0 EDADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cnnn1-c1ccccc1 ZINC000813325854 593526647 /nfs/dbraw/zinc/52/66/47/593526647.db2.gz LUHZOKNUWXJKGO-JKSUJKDBSA-N 2 2 329.448 1.886 20 0 EDADLP COC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000813600308 593542690 /nfs/dbraw/zinc/54/26/90/593542690.db2.gz ZDLHWILDNXUNQQ-SJPCQFCGSA-N 2 2 344.459 1.615 20 0 EDADLP COC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000813600308 593542692 /nfs/dbraw/zinc/54/26/92/593542692.db2.gz ZDLHWILDNXUNQQ-SJPCQFCGSA-N 2 2 344.459 1.615 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000816833519 593552701 /nfs/dbraw/zinc/55/27/01/593552701.db2.gz LCKUEEWNTJFVFG-UHFFFAOYSA-N 2 2 328.416 1.695 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000816833519 593552702 /nfs/dbraw/zinc/55/27/02/593552702.db2.gz LCKUEEWNTJFVFG-UHFFFAOYSA-N 2 2 328.416 1.695 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000817892333 593646114 /nfs/dbraw/zinc/64/61/14/593646114.db2.gz STOZQMULLWEOGK-VHDGCEQUSA-N 2 2 332.366 1.793 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCc2cnn(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000817933680 593650065 /nfs/dbraw/zinc/65/00/65/593650065.db2.gz OCCKQYZSFHSDOX-QZTJIDSGSA-N 2 2 329.448 1.839 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817982945 593653429 /nfs/dbraw/zinc/65/34/29/593653429.db2.gz WROIGMQFWITUSW-AAEUAGOBSA-N 2 2 348.415 1.712 20 0 EDADLP CN1C(=O)CC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1=O ZINC000818233809 593685976 /nfs/dbraw/zinc/68/59/76/593685976.db2.gz ORYIEMCDRVWIKS-KRWDZBQOSA-N 2 2 344.459 1.458 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[S@](=O)C(C)(C)C ZINC000819057124 593736217 /nfs/dbraw/zinc/73/62/17/593736217.db2.gz RRJHHMVVVWJYNL-AOMKIAJQSA-N 2 2 326.506 1.616 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000819153792 593741785 /nfs/dbraw/zinc/74/17/85/593741785.db2.gz NIIWUBYGTSUEOC-VHDGCEQUSA-N 2 2 327.469 1.334 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000819153792 593741786 /nfs/dbraw/zinc/74/17/86/593741786.db2.gz NIIWUBYGTSUEOC-VHDGCEQUSA-N 2 2 327.469 1.334 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cn2)cc1 ZINC000823825493 593869020 /nfs/dbraw/zinc/86/90/20/593869020.db2.gz QFJZSCPGDWBEPN-IEBWSBKVSA-N 2 2 342.443 1.834 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cn2)cc1 ZINC000823825493 593869021 /nfs/dbraw/zinc/86/90/21/593869021.db2.gz QFJZSCPGDWBEPN-IEBWSBKVSA-N 2 2 342.443 1.834 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc[nH+]1 ZINC000822471866 594053623 /nfs/dbraw/zinc/05/36/23/594053623.db2.gz LNJMVOZWYQMHMF-UHFFFAOYSA-N 2 2 336.403 1.287 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825901193 594273525 /nfs/dbraw/zinc/27/35/25/594273525.db2.gz DJJQZSCSNKTCED-OAHLLOKOSA-N 2 2 327.436 1.425 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825901193 594273528 /nfs/dbraw/zinc/27/35/28/594273528.db2.gz DJJQZSCSNKTCED-OAHLLOKOSA-N 2 2 327.436 1.425 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825901193 594273531 /nfs/dbraw/zinc/27/35/31/594273531.db2.gz DJJQZSCSNKTCED-OAHLLOKOSA-N 2 2 327.436 1.425 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825901193 594273533 /nfs/dbraw/zinc/27/35/33/594273533.db2.gz DJJQZSCSNKTCED-OAHLLOKOSA-N 2 2 327.436 1.425 20 0 EDADLP CN(CCCn1cc[nH+]c1)c1[nH+]c2c(cc1-c1nn[nH]n1)CCCC2 ZINC000825938665 594286384 /nfs/dbraw/zinc/28/63/84/594286384.db2.gz VEHDCJLHLIDDEC-UHFFFAOYSA-N 2 2 338.419 1.864 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000828088338 594338537 /nfs/dbraw/zinc/33/85/37/594338537.db2.gz MTMSCWKIGZAPIF-INIZCTEOSA-N 2 2 347.463 1.696 20 0 EDADLP Cn1cc(-c2cc3c(nn2)CC[N@H+](Cc2c[nH+]c4n2CCC4)C3)cn1 ZINC000828108151 594342713 /nfs/dbraw/zinc/34/27/13/594342713.db2.gz GMTNEGRLLREVFS-UHFFFAOYSA-N 2 2 335.415 1.578 20 0 EDADLP Cn1cc(-c2cc3c(nn2)CC[N@@H+](Cc2c[nH+]c4n2CCC4)C3)cn1 ZINC000828108151 594342715 /nfs/dbraw/zinc/34/27/15/594342715.db2.gz GMTNEGRLLREVFS-UHFFFAOYSA-N 2 2 335.415 1.578 20 0 EDADLP CC(C)(C)OC(=O)C1(C)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000830284588 594367693 /nfs/dbraw/zinc/36/76/93/594367693.db2.gz IUOBSOYUBGAEFV-OAHLLOKOSA-N 2 2 326.481 1.887 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000830548459 594419879 /nfs/dbraw/zinc/41/98/79/594419879.db2.gz DXPHLZHORJQSTN-SFHVURJKSA-N 2 2 346.475 1.216 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000830548459 594419882 /nfs/dbraw/zinc/41/98/82/594419882.db2.gz DXPHLZHORJQSTN-SFHVURJKSA-N 2 2 346.475 1.216 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2cccc(C)c2)CCO1)C1CC1 ZINC000826564209 594527779 /nfs/dbraw/zinc/52/77/79/594527779.db2.gz LWOSSUBUMYWZRX-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2cccc(C)c2)CCO1)C1CC1 ZINC000826564209 594527781 /nfs/dbraw/zinc/52/77/81/594527781.db2.gz LWOSSUBUMYWZRX-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)C1CC1 ZINC000826564209 594527783 /nfs/dbraw/zinc/52/77/83/594527783.db2.gz LWOSSUBUMYWZRX-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)C1CC1 ZINC000826564209 594527787 /nfs/dbraw/zinc/52/77/87/594527787.db2.gz LWOSSUBUMYWZRX-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000826719942 594563668 /nfs/dbraw/zinc/56/36/68/594563668.db2.gz AKSJAZNDLXTWBF-JKSUJKDBSA-N 2 2 325.416 1.519 20 0 EDADLP CCO[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C[NH+](C)C ZINC000831758044 594700084 /nfs/dbraw/zinc/70/00/84/594700084.db2.gz UXIBNYPBURXESK-QGZVFWFLSA-N 2 2 330.432 1.628 20 0 EDADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000831873270 594708500 /nfs/dbraw/zinc/70/85/00/594708500.db2.gz JZFKEWHCMOLYRT-ZWKOTPCHSA-N 2 2 349.450 1.752 20 0 EDADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000831873270 594708501 /nfs/dbraw/zinc/70/85/01/594708501.db2.gz JZFKEWHCMOLYRT-ZWKOTPCHSA-N 2 2 349.450 1.752 20 0 EDADLP CN(C)[C@H](C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)c1c[nH+]cn1C ZINC000832224664 594736592 /nfs/dbraw/zinc/73/65/92/594736592.db2.gz DVXUIWZVEHNJJP-KRWDZBQOSA-N 2 2 347.507 1.890 20 0 EDADLP COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000867121070 594821666 /nfs/dbraw/zinc/82/16/66/594821666.db2.gz KGJMYPMWSTUBQJ-INIZCTEOSA-N 2 2 338.452 1.040 20 0 EDADLP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000867121070 594821667 /nfs/dbraw/zinc/82/16/67/594821667.db2.gz KGJMYPMWSTUBQJ-INIZCTEOSA-N 2 2 338.452 1.040 20 0 EDADLP FC1(F)Oc2cccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)c2O1 ZINC000840889904 594823722 /nfs/dbraw/zinc/82/37/22/594823722.db2.gz JJPZWCFCDWWKFN-CHWSQXEVSA-N 2 2 326.343 1.961 20 0 EDADLP FC1(F)Oc2cccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2O1 ZINC000840889904 594823724 /nfs/dbraw/zinc/82/37/24/594823724.db2.gz JJPZWCFCDWWKFN-CHWSQXEVSA-N 2 2 326.343 1.961 20 0 EDADLP COc1ccc2cc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])ccc2c1 ZINC000841238224 594874632 /nfs/dbraw/zinc/87/46/32/594874632.db2.gz CEFFOTUUJIHFGY-MRXNPFEDSA-N 2 2 328.416 1.955 20 0 EDADLP COc1ccc2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])ccc2c1 ZINC000841238224 594874633 /nfs/dbraw/zinc/87/46/33/594874633.db2.gz CEFFOTUUJIHFGY-MRXNPFEDSA-N 2 2 328.416 1.955 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841284653 594881405 /nfs/dbraw/zinc/88/14/05/594881405.db2.gz BEOOAIXXRZXWPD-HOCLYGCPSA-N 2 2 348.447 1.351 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841289077 594881956 /nfs/dbraw/zinc/88/19/56/594881956.db2.gz XXCWXJBREJJANJ-UHFFFAOYSA-N 2 2 336.436 1.256 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841289077 594881959 /nfs/dbraw/zinc/88/19/59/594881959.db2.gz XXCWXJBREJJANJ-UHFFFAOYSA-N 2 2 336.436 1.256 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841672587 594933629 /nfs/dbraw/zinc/93/36/29/594933629.db2.gz JPERCHJWWUVRTQ-GFCCVEGCSA-N 2 2 336.346 1.064 20 0 EDADLP C[NH2+]CCN(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841838140 594961515 /nfs/dbraw/zinc/96/15/15/594961515.db2.gz NUJHBIAOQIUWFU-UHFFFAOYSA-N 2 2 333.480 1.582 20 0 EDADLP C[NH2+]CCN(C)C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841838140 594961516 /nfs/dbraw/zinc/96/15/16/594961516.db2.gz NUJHBIAOQIUWFU-UHFFFAOYSA-N 2 2 333.480 1.582 20 0 EDADLP COc1cccc([C@H](CNC(=O)N[C@H]2CCn3cc[nH+]c32)[NH+](C)C)c1 ZINC000837353616 595090535 /nfs/dbraw/zinc/09/05/35/595090535.db2.gz UXZASMKWXMCDAA-HOTGVXAUSA-N 2 2 343.431 1.939 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843378841 595093956 /nfs/dbraw/zinc/09/39/56/595093956.db2.gz IBMSGICBMZBXMB-KXBFYZLASA-N 2 2 346.475 1.521 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843378841 595093961 /nfs/dbraw/zinc/09/39/61/595093961.db2.gz IBMSGICBMZBXMB-KXBFYZLASA-N 2 2 346.475 1.521 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000842474911 595114260 /nfs/dbraw/zinc/11/42/60/595114260.db2.gz DXJLGEMVQUJYON-MRXNPFEDSA-N 2 2 346.475 1.393 20 0 EDADLP Cc1nc(S(=O)(=O)N2CC[NH+](CCCCCC[NH3+])CC2)cs1 ZINC000846217867 595176621 /nfs/dbraw/zinc/17/66/21/595176621.db2.gz HKPJFAUMBRYECL-UHFFFAOYSA-N 2 2 346.522 1.277 20 0 EDADLP CN(C)[C@H](C(=O)NC1CCC(C)([NH+]2CCC2)CC1)c1c[nH+]cn1C ZINC000834780194 595209905 /nfs/dbraw/zinc/20/99/05/595209905.db2.gz IHLOTQBTRAKYKY-HQVVEAJESA-N 2 2 333.480 1.546 20 0 EDADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000867310497 595229909 /nfs/dbraw/zinc/22/99/09/595229909.db2.gz ZUPBNUYYXKGEDY-ALOLOFKDSA-N 2 2 335.492 1.644 20 0 EDADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000867310497 595229911 /nfs/dbraw/zinc/22/99/11/595229911.db2.gz ZUPBNUYYXKGEDY-ALOLOFKDSA-N 2 2 335.492 1.644 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1[nH+]ccn1C ZINC000844167287 595289357 /nfs/dbraw/zinc/28/93/57/595289357.db2.gz ABOWBWXITSUFMK-BXUZGUMPSA-N 2 2 338.358 1.617 20 0 EDADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000844171126 595290405 /nfs/dbraw/zinc/29/04/05/595290405.db2.gz DVYJQXJGEIYASR-HOTGVXAUSA-N 2 2 344.463 1.849 20 0 EDADLP CCOc1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])ccc1OC(=O)CC ZINC000843121698 595291959 /nfs/dbraw/zinc/29/19/59/595291959.db2.gz HPEHUZFJEUWCPP-OAHLLOKOSA-N 2 2 335.448 1.475 20 0 EDADLP CCOc1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1OC(=O)CC ZINC000843121698 595291961 /nfs/dbraw/zinc/29/19/61/595291961.db2.gz HPEHUZFJEUWCPP-OAHLLOKOSA-N 2 2 335.448 1.475 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000846671310 595297768 /nfs/dbraw/zinc/29/77/68/595297768.db2.gz RDXMCGCNEDQVNJ-QWHCGFSZSA-N 2 2 334.247 1.422 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000844224242 595308760 /nfs/dbraw/zinc/30/87/60/595308760.db2.gz DRANLVBHXIPXJK-BMFZPTHFSA-N 2 2 331.464 1.146 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000844224242 595308763 /nfs/dbraw/zinc/30/87/63/595308763.db2.gz DRANLVBHXIPXJK-BMFZPTHFSA-N 2 2 331.464 1.146 20 0 EDADLP C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000844225366 595309170 /nfs/dbraw/zinc/30/91/70/595309170.db2.gz ORDCVXSEGCNWMG-YOEHRIQHSA-N 2 2 345.491 1.679 20 0 EDADLP CCN1C[C@@H](C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)OC1=O ZINC000846829295 595322533 /nfs/dbraw/zinc/32/25/33/595322533.db2.gz DHTMTLGLSDSWIQ-QGZVFWFLSA-N 2 2 338.496 1.318 20 0 EDADLP CC[N@H+](CCC1CC[NH+](Cn2nc(C)n(C)c2=O)CC1)CC(C)C ZINC000844696779 595376704 /nfs/dbraw/zinc/37/67/04/595376704.db2.gz CTOJHXZYOILUFL-UHFFFAOYSA-N 2 2 337.512 1.928 20 0 EDADLP CC[N@@H+](CCC1CC[NH+](Cn2nc(C)n(C)c2=O)CC1)CC(C)C ZINC000844696779 595376707 /nfs/dbraw/zinc/37/67/07/595376707.db2.gz CTOJHXZYOILUFL-UHFFFAOYSA-N 2 2 337.512 1.928 20 0 EDADLP CCC(C)(C)[NH+]1CCN(CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000848497152 595396655 /nfs/dbraw/zinc/39/66/55/595396655.db2.gz KEJRHOMFCPYSPI-HNNXBMFYSA-N 2 2 333.480 1.500 20 0 EDADLP O[C@@H]1c2ccccc2OC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848550083 595404528 /nfs/dbraw/zinc/40/45/28/595404528.db2.gz BRVRMXZJUKZLTN-SZVBFZGTSA-N 2 2 332.444 1.714 20 0 EDADLP Cn1c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cnc1Cl ZINC000848911273 595466444 /nfs/dbraw/zinc/46/64/44/595466444.db2.gz TXSSXHANDCJIHZ-UHFFFAOYSA-N 2 2 339.871 1.060 20 0 EDADLP CCCCCCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849116831 595484522 /nfs/dbraw/zinc/48/45/22/595484522.db2.gz YJMUWVBHFHSNAJ-UHFFFAOYSA-N 2 2 326.485 1.562 20 0 EDADLP C[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000852761116 595531383 /nfs/dbraw/zinc/53/13/83/595531383.db2.gz QRSLWPCKVCJZMV-LSDHHAIUSA-N 2 2 329.485 1.942 20 0 EDADLP C[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000852761116 595531386 /nfs/dbraw/zinc/53/13/86/595531386.db2.gz QRSLWPCKVCJZMV-LSDHHAIUSA-N 2 2 329.485 1.942 20 0 EDADLP O=C(C=C1CC[NH2+]CC1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000852856994 595578301 /nfs/dbraw/zinc/57/83/01/595578301.db2.gz IFVXHIIQCVAEBA-SFHVURJKSA-N 2 2 329.444 1.486 20 0 EDADLP Cc1nc(N)sc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852913085 595611620 /nfs/dbraw/zinc/61/16/20/595611620.db2.gz MZXVUKYJHFFVIS-CYBMUJFWSA-N 2 2 337.493 1.274 20 0 EDADLP Cc1nc(N)sc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852913085 595611624 /nfs/dbraw/zinc/61/16/24/595611624.db2.gz MZXVUKYJHFFVIS-CYBMUJFWSA-N 2 2 337.493 1.274 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000855416680 595705791 /nfs/dbraw/zinc/70/57/91/595705791.db2.gz QAJPQXRZDLDBFA-IBGZPJMESA-N 2 2 347.459 1.158 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000855416680 595705794 /nfs/dbraw/zinc/70/57/94/595705794.db2.gz QAJPQXRZDLDBFA-IBGZPJMESA-N 2 2 347.459 1.158 20 0 EDADLP COc1ccccc1[C@H](NC(=O)Cn1c[nH+]cc1C)c1[nH+]ccn1C ZINC000858247907 595742810 /nfs/dbraw/zinc/74/28/10/595742810.db2.gz OPXMQRROCWKTBU-KRWDZBQOSA-N 2 2 339.399 1.839 20 0 EDADLP C[C@@H]1CC[N@H+](C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000851858441 595950267 /nfs/dbraw/zinc/95/02/67/595950267.db2.gz PDFLDKTYXAGFBV-HFTRVMKXSA-N 2 2 328.416 1.139 20 0 EDADLP C[C@@H]1CC[N@@H+](C[C@@](O)(C(N)=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000851858441 595950268 /nfs/dbraw/zinc/95/02/68/595950268.db2.gz PDFLDKTYXAGFBV-HFTRVMKXSA-N 2 2 328.416 1.139 20 0 EDADLP Cc1cc(Cl)nc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000854041582 595959702 /nfs/dbraw/zinc/95/97/02/595959702.db2.gz OTOMNAJEVSXYHI-UHFFFAOYSA-N 2 2 341.887 1.726 20 0 EDADLP Cc1cc(Cl)nc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000854041582 595959704 /nfs/dbraw/zinc/95/97/04/595959704.db2.gz OTOMNAJEVSXYHI-UHFFFAOYSA-N 2 2 341.887 1.726 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000851955154 595984753 /nfs/dbraw/zinc/98/47/53/595984753.db2.gz SAHXRPZPLJNEMU-CYBMUJFWSA-N 2 2 342.871 1.674 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000851955154 595984757 /nfs/dbraw/zinc/98/47/57/595984757.db2.gz SAHXRPZPLJNEMU-CYBMUJFWSA-N 2 2 342.871 1.674 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000851989127 595998719 /nfs/dbraw/zinc/99/87/19/595998719.db2.gz FJRZVSFLFRZFHF-LSDHHAIUSA-N 2 2 348.447 1.154 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000851989127 595998721 /nfs/dbraw/zinc/99/87/21/595998721.db2.gz FJRZVSFLFRZFHF-LSDHHAIUSA-N 2 2 348.447 1.154 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncnn3C)C2)ccn1 ZINC000856590378 596025231 /nfs/dbraw/zinc/02/52/31/596025231.db2.gz UGFXHWOEJPLBQU-INIZCTEOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncnn3C)C2)ccn1 ZINC000856590378 596025235 /nfs/dbraw/zinc/02/52/35/596025235.db2.gz UGFXHWOEJPLBQU-INIZCTEOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncnn3C)C2)ccn1 ZINC000856590378 596025237 /nfs/dbraw/zinc/02/52/37/596025237.db2.gz UGFXHWOEJPLBQU-INIZCTEOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncnn3C)C2)ccn1 ZINC000856590378 596025241 /nfs/dbraw/zinc/02/52/41/596025241.db2.gz UGFXHWOEJPLBQU-INIZCTEOSA-N 2 2 330.436 1.315 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000852055437 596025383 /nfs/dbraw/zinc/02/53/83/596025383.db2.gz UBJQJUMDLLXOHB-HZPDHXFCSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000852055437 596025389 /nfs/dbraw/zinc/02/53/89/596025389.db2.gz UBJQJUMDLLXOHB-HZPDHXFCSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000852055437 596025393 /nfs/dbraw/zinc/02/53/93/596025393.db2.gz UBJQJUMDLLXOHB-HZPDHXFCSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000852055437 596025398 /nfs/dbraw/zinc/02/53/98/596025398.db2.gz UBJQJUMDLLXOHB-HZPDHXFCSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859616571 596147445 /nfs/dbraw/zinc/14/74/45/596147445.db2.gz VDBFDHGCLDIPMJ-PMPSAXMXSA-N 2 2 326.481 1.743 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859616571 596147447 /nfs/dbraw/zinc/14/74/47/596147447.db2.gz VDBFDHGCLDIPMJ-PMPSAXMXSA-N 2 2 326.481 1.743 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CC2CC1(CNC(=O)OC(C)(C)C)C2)C1CC1 ZINC000852528507 596190178 /nfs/dbraw/zinc/19/01/78/596190178.db2.gz IGIGRTWCWBIDIF-NSWWBONSSA-N 2 2 339.480 1.431 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CC2CC1(CNC(=O)OC(C)(C)C)C2)C1CC1 ZINC000852528507 596190179 /nfs/dbraw/zinc/19/01/79/596190179.db2.gz IGIGRTWCWBIDIF-NSWWBONSSA-N 2 2 339.480 1.431 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2)C1CC1 ZINC000852528507 596190180 /nfs/dbraw/zinc/19/01/80/596190180.db2.gz IGIGRTWCWBIDIF-NSWWBONSSA-N 2 2 339.480 1.431 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2)C1CC1 ZINC000852528507 596190181 /nfs/dbraw/zinc/19/01/81/596190181.db2.gz IGIGRTWCWBIDIF-NSWWBONSSA-N 2 2 339.480 1.431 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[N@@H+]1C ZINC000123233807 596299960 /nfs/dbraw/zinc/29/99/60/596299960.db2.gz COWZOJWVYVYWBD-STQMWFEESA-N 2 2 329.466 1.444 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[N@H+]1C ZINC000123233807 596299963 /nfs/dbraw/zinc/29/99/63/596299963.db2.gz COWZOJWVYVYWBD-STQMWFEESA-N 2 2 329.466 1.444 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[NH+]1C ZINC000123233807 596299965 /nfs/dbraw/zinc/29/99/65/596299965.db2.gz COWZOJWVYVYWBD-STQMWFEESA-N 2 2 329.466 1.444 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[NH+]1C ZINC000123233807 596299967 /nfs/dbraw/zinc/29/99/67/596299967.db2.gz COWZOJWVYVYWBD-STQMWFEESA-N 2 2 329.466 1.444 20 0 EDADLP CC(C)c1noc([C@@H](C)[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866710384 596304429 /nfs/dbraw/zinc/30/44/29/596304429.db2.gz PXWWBTCIVBUPDY-XQHKEYJVSA-N 2 2 335.408 1.121 20 0 EDADLP CC(C)c1noc([C@@H](C)[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866710384 596304431 /nfs/dbraw/zinc/30/44/31/596304431.db2.gz PXWWBTCIVBUPDY-XQHKEYJVSA-N 2 2 335.408 1.121 20 0 EDADLP CCO[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@H]1CCOC1 ZINC000870665563 596314621 /nfs/dbraw/zinc/31/46/21/596314621.db2.gz ZDFPCLIDBFBWKO-YOEHRIQHSA-N 2 2 348.447 1.214 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000866775913 596338366 /nfs/dbraw/zinc/33/83/66/596338366.db2.gz BRUKXLOJLJNTKA-SOUVJXGZSA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000866775913 596338368 /nfs/dbraw/zinc/33/83/68/596338368.db2.gz BRUKXLOJLJNTKA-SOUVJXGZSA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)C1 ZINC000866775913 596338369 /nfs/dbraw/zinc/33/83/69/596338369.db2.gz BRUKXLOJLJNTKA-SOUVJXGZSA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)C1 ZINC000866775913 596338371 /nfs/dbraw/zinc/33/83/71/596338371.db2.gz BRUKXLOJLJNTKA-SOUVJXGZSA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1c[nH+]c2n1CCC2 ZINC000862526684 596340205 /nfs/dbraw/zinc/34/02/05/596340205.db2.gz XVRBFZSOHXDLLM-UHFFFAOYSA-N 2 2 338.452 1.802 20 0 EDADLP C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1c[nH+]c2n1CCC2 ZINC000862526684 596340206 /nfs/dbraw/zinc/34/02/06/596340206.db2.gz XVRBFZSOHXDLLM-UHFFFAOYSA-N 2 2 338.452 1.802 20 0 EDADLP O=C(CC[NH2+]CC1CC1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000870861308 596380439 /nfs/dbraw/zinc/38/04/39/596380439.db2.gz OXKGVYIMJRXDRO-SFHVURJKSA-N 2 2 331.460 1.566 20 0 EDADLP O=C(NCc1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000869025842 596384935 /nfs/dbraw/zinc/38/49/35/596384935.db2.gz MCYGTTMQOIMVGE-KRWDZBQOSA-N 2 2 325.416 1.083 20 0 EDADLP O=C(NCc1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000869025842 596384939 /nfs/dbraw/zinc/38/49/39/596384939.db2.gz MCYGTTMQOIMVGE-KRWDZBQOSA-N 2 2 325.416 1.083 20 0 EDADLP O=C(CC[NH2+]CC1CC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000870885552 596389852 /nfs/dbraw/zinc/38/98/52/596389852.db2.gz IWZRHRXTZDZQFT-IBGZPJMESA-N 2 2 345.487 1.436 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCC23CC(C2)C[NH2+]3)([NH+]2CCCCC2)CC1 ZINC000870894601 596393163 /nfs/dbraw/zinc/39/31/63/596393163.db2.gz YOBBYPAGWKZLCY-UHFFFAOYSA-N 3 2 348.535 1.585 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C1(C)C ZINC000870979199 596426435 /nfs/dbraw/zinc/42/64/35/596426435.db2.gz IFWBZBMIYDQBDK-FRQCXROJSA-N 2 2 331.460 1.822 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C1(C)C ZINC000870979199 596426437 /nfs/dbraw/zinc/42/64/37/596426437.db2.gz IFWBZBMIYDQBDK-FRQCXROJSA-N 2 2 331.460 1.822 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000871016370 596439523 /nfs/dbraw/zinc/43/95/23/596439523.db2.gz RNAYQZHGAWFKJW-GFCCVEGCSA-N 2 2 334.420 1.261 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000865070526 596463184 /nfs/dbraw/zinc/46/31/84/596463184.db2.gz UDJGIDLRNLHTPI-QPJJXVBHSA-N 2 2 333.432 1.454 20 0 EDADLP C[NH+](C)CCCNC(=S)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000865254507 596525462 /nfs/dbraw/zinc/52/54/62/596525462.db2.gz ZVFCJWDAXLZMRR-UHFFFAOYSA-N 3 2 336.509 1.072 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)C[C@@H](C)O1 ZINC000865406308 596564904 /nfs/dbraw/zinc/56/49/04/596564904.db2.gz PFWRSEBDBMPEAK-INMHGKMJSA-N 2 2 337.468 1.046 20 0 EDADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865425508 596570999 /nfs/dbraw/zinc/57/09/99/596570999.db2.gz NCWNMBMNASCDIK-HOTGVXAUSA-N 2 2 332.452 1.858 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCCNc2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865501005 596592921 /nfs/dbraw/zinc/59/29/21/596592921.db2.gz KHOSPJXTVFATAL-SNVBAGLBSA-N 2 2 336.827 1.611 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNc2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865501005 596592923 /nfs/dbraw/zinc/59/29/23/596592923.db2.gz KHOSPJXTVFATAL-SNVBAGLBSA-N 2 2 336.827 1.611 20 0 EDADLP CCCNc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc[nH+]1 ZINC000865619735 596629239 /nfs/dbraw/zinc/62/92/39/596629239.db2.gz WRBIVULNXRDSGS-AWEZNQCLSA-N 2 2 332.452 1.041 20 0 EDADLP CCCNc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc[nH+]1 ZINC000865619735 596629242 /nfs/dbraw/zinc/62/92/42/596629242.db2.gz WRBIVULNXRDSGS-AWEZNQCLSA-N 2 2 332.452 1.041 20 0 EDADLP CCCNc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH+]cn1 ZINC000865619735 596629244 /nfs/dbraw/zinc/62/92/44/596629244.db2.gz WRBIVULNXRDSGS-AWEZNQCLSA-N 2 2 332.452 1.041 20 0 EDADLP CCCNc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH+]cn1 ZINC000865619735 596629247 /nfs/dbraw/zinc/62/92/47/596629247.db2.gz WRBIVULNXRDSGS-AWEZNQCLSA-N 2 2 332.452 1.041 20 0 EDADLP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865637921 596634695 /nfs/dbraw/zinc/63/46/95/596634695.db2.gz QMTMTKMXDVFYRD-UHFFFAOYSA-N 2 2 332.408 1.889 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC[C@@H]21 ZINC000868023142 596658952 /nfs/dbraw/zinc/65/89/52/596658952.db2.gz CMXBEJYEEAMBDC-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC[C@@H]21 ZINC000868023142 596658956 /nfs/dbraw/zinc/65/89/56/596658956.db2.gz CMXBEJYEEAMBDC-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP Cc1ccn(C[C@H](C)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000865799187 596688769 /nfs/dbraw/zinc/68/87/69/596688769.db2.gz KQAKRENAYVWMRZ-HNNXBMFYSA-N 2 2 335.496 1.312 20 0 EDADLP Cc1ccn(C[C@H](C)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000865799187 596688772 /nfs/dbraw/zinc/68/87/72/596688772.db2.gz KQAKRENAYVWMRZ-HNNXBMFYSA-N 2 2 335.496 1.312 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC[C@H]2C[NH+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798922 596688942 /nfs/dbraw/zinc/68/89/42/596688942.db2.gz BLTSAXGEHAOHCI-UXHICEINSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC[C@H]2C[NH+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798922 596688943 /nfs/dbraw/zinc/68/89/43/596688943.db2.gz BLTSAXGEHAOHCI-UXHICEINSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[NH+]1CC[C@@H](NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798922 596688945 /nfs/dbraw/zinc/68/89/45/596688945.db2.gz BLTSAXGEHAOHCI-UXHICEINSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[NH+]1CC[C@@H](NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798922 596688946 /nfs/dbraw/zinc/68/89/46/596688946.db2.gz BLTSAXGEHAOHCI-UXHICEINSA-N 2 2 347.503 1.506 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000863939821 596721776 /nfs/dbraw/zinc/72/17/76/596721776.db2.gz NYIXOSNBAGWVPY-ZWKOTPCHSA-N 2 2 331.460 1.556 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000863939821 596721778 /nfs/dbraw/zinc/72/17/78/596721778.db2.gz NYIXOSNBAGWVPY-ZWKOTPCHSA-N 2 2 331.460 1.556 20 0 EDADLP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3COCC[N@@H+]3C)c2)C1 ZINC000863939821 596721781 /nfs/dbraw/zinc/72/17/81/596721781.db2.gz NYIXOSNBAGWVPY-ZWKOTPCHSA-N 2 2 331.460 1.556 20 0 EDADLP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3COCC[N@H+]3C)c2)C1 ZINC000863939821 596721784 /nfs/dbraw/zinc/72/17/84/596721784.db2.gz NYIXOSNBAGWVPY-ZWKOTPCHSA-N 2 2 331.460 1.556 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868355160 596798076 /nfs/dbraw/zinc/79/80/76/596798076.db2.gz OUFBHUFSYTUYLY-UHFFFAOYSA-N 2 2 335.452 1.011 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868355160 596798077 /nfs/dbraw/zinc/79/80/77/596798077.db2.gz OUFBHUFSYTUYLY-UHFFFAOYSA-N 2 2 335.452 1.011 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000872218762 596840668 /nfs/dbraw/zinc/84/06/68/596840668.db2.gz SRKOUNMICOAIAM-DLBZAZTESA-N 2 2 336.476 1.478 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000872218762 596840672 /nfs/dbraw/zinc/84/06/72/596840672.db2.gz SRKOUNMICOAIAM-DLBZAZTESA-N 2 2 336.476 1.478 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872226566 596843971 /nfs/dbraw/zinc/84/39/71/596843971.db2.gz OFBZMPCZPXRLII-UXHICEINSA-N 2 2 347.503 1.242 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872226566 596843973 /nfs/dbraw/zinc/84/39/73/596843973.db2.gz OFBZMPCZPXRLII-UXHICEINSA-N 2 2 347.503 1.242 20 0 EDADLP Cc1ccccc1CN1CCO[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872226566 596843976 /nfs/dbraw/zinc/84/39/76/596843976.db2.gz OFBZMPCZPXRLII-UXHICEINSA-N 2 2 347.503 1.242 20 0 EDADLP CCC(CC)Nc1cc[nH+]cc1NC(=O)C=CC[NH+]1CCOCC1 ZINC000868495179 596861353 /nfs/dbraw/zinc/86/13/53/596861353.db2.gz VMBWFBAPXIPXHR-AATRIKPKSA-N 2 2 332.448 1.931 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872442981 596909619 /nfs/dbraw/zinc/90/96/19/596909619.db2.gz REURUZPKOYJJCO-HNNXBMFYSA-N 2 2 346.475 1.622 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2[nH+]ccn21 ZINC000875644507 596931687 /nfs/dbraw/zinc/93/16/87/596931687.db2.gz GFHLZBSBZMILMT-JJXSEGSLSA-N 3 2 348.495 1.270 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4C)ccc2[nH+]1 ZINC000874365818 597037373 /nfs/dbraw/zinc/03/73/73/597037373.db2.gz FAWAQZSHKJALHQ-HUUCEWRRSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)ccc2[nH+]1 ZINC000874365818 597037378 /nfs/dbraw/zinc/03/73/78/597037378.db2.gz FAWAQZSHKJALHQ-HUUCEWRRSA-N 2 2 341.415 1.276 20 0 EDADLP c1ccc(CNc2cc(N3CC[C@@H](N4CC[NH2+]CC4)C3)nc[nH+]2)cc1 ZINC000872774806 597063123 /nfs/dbraw/zinc/06/31/23/597063123.db2.gz NJAJRTQBIDVUAP-QGZVFWFLSA-N 2 2 338.459 1.573 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000876203950 597133931 /nfs/dbraw/zinc/13/39/31/597133931.db2.gz RUKSGGYVNWUDKB-GOEBONIOSA-N 2 2 331.464 1.904 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000876203950 597133934 /nfs/dbraw/zinc/13/39/34/597133934.db2.gz RUKSGGYVNWUDKB-GOEBONIOSA-N 2 2 331.464 1.904 20 0 EDADLP COc1ccc(C[C@](C)(CO)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000873191032 597222882 /nfs/dbraw/zinc/22/28/82/597222882.db2.gz OFBQAIVWUIFENO-GOSISDBHSA-N 2 2 332.448 1.578 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2csc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000876541843 597233452 /nfs/dbraw/zinc/23/34/52/597233452.db2.gz HPHOILZRNYCZPO-KXMPLOMGSA-N 2 2 333.379 1.881 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2csc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000876541843 597233453 /nfs/dbraw/zinc/23/34/53/597233453.db2.gz HPHOILZRNYCZPO-KXMPLOMGSA-N 2 2 333.379 1.881 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000876684096 597286909 /nfs/dbraw/zinc/28/69/09/597286909.db2.gz JJUDMIHDDLVZOV-UHFFFAOYSA-N 2 2 348.443 1.346 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CCC2(C1)OCCO2 ZINC000876684096 597286911 /nfs/dbraw/zinc/28/69/11/597286911.db2.gz JJUDMIHDDLVZOV-UHFFFAOYSA-N 2 2 348.443 1.346 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875112399 597287150 /nfs/dbraw/zinc/28/71/50/597287150.db2.gz MAXVKCOHTMPOON-RHSMWYFYSA-N 2 2 346.475 1.136 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875112399 597287154 /nfs/dbraw/zinc/28/71/54/597287154.db2.gz MAXVKCOHTMPOON-RHSMWYFYSA-N 2 2 346.475 1.136 20 0 EDADLP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCCn1cc[nH+]c1 ZINC000876707654 597296451 /nfs/dbraw/zinc/29/64/51/597296451.db2.gz MTSWYTYERACHAE-UHFFFAOYSA-N 2 2 333.461 1.935 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000875195763 597325370 /nfs/dbraw/zinc/32/53/70/597325370.db2.gz UTEBLDWGJNZWLB-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000875195763 597325372 /nfs/dbraw/zinc/32/53/72/597325372.db2.gz UTEBLDWGJNZWLB-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000124633105 597352265 /nfs/dbraw/zinc/35/22/65/597352265.db2.gz HLACQBSEMOWAGR-KAKFPZCNSA-N 2 2 348.535 1.691 20 0 EDADLP CC(C)[C@@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000124633105 597352267 /nfs/dbraw/zinc/35/22/67/597352267.db2.gz HLACQBSEMOWAGR-KAKFPZCNSA-N 2 2 348.535 1.691 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000876965658 597400196 /nfs/dbraw/zinc/40/01/96/597400196.db2.gz HITDWKJTAGVDOP-QHNPVBQMSA-N 2 2 347.434 1.276 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875428460 597424585 /nfs/dbraw/zinc/42/45/85/597424585.db2.gz IYJVOFGLVNWVJI-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)CC1 ZINC000875428460 597424590 /nfs/dbraw/zinc/42/45/90/597424590.db2.gz IYJVOFGLVNWVJI-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000877247873 597478497 /nfs/dbraw/zinc/47/84/97/597478497.db2.gz AQIYORMQKYZHIQ-ROUUACIJSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000877247873 597478498 /nfs/dbraw/zinc/47/84/98/597478498.db2.gz AQIYORMQKYZHIQ-ROUUACIJSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)C2)cc1 ZINC000877249941 597479454 /nfs/dbraw/zinc/47/94/54/597479454.db2.gz ZFLGDDGODXBBGW-KURKYZTESA-N 2 2 345.487 1.685 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)C2)cc1 ZINC000877249941 597479455 /nfs/dbraw/zinc/47/94/55/597479455.db2.gz ZFLGDDGODXBBGW-KURKYZTESA-N 2 2 345.487 1.685 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000877481040 597523308 /nfs/dbraw/zinc/52/33/08/597523308.db2.gz SPPRRBYPJRISBL-CQSZACIVSA-N 2 2 334.445 1.447 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000877481040 597523309 /nfs/dbraw/zinc/52/33/09/597523309.db2.gz SPPRRBYPJRISBL-CQSZACIVSA-N 2 2 334.445 1.447 20 0 EDADLP CC(C)(C)OC(=O)N1[C@@H](C[NH2+]CC[N@@H+]2CC[C@H](O)C2)COC1(C)C ZINC000877661768 597545679 /nfs/dbraw/zinc/54/56/79/597545679.db2.gz GTOINNCJEYDBPJ-KBPBESRZSA-N 2 2 343.468 1.015 20 0 EDADLP CC(C)(C)OC(=O)N1[C@@H](C[NH2+]CC[N@H+]2CC[C@H](O)C2)COC1(C)C ZINC000877661768 597545680 /nfs/dbraw/zinc/54/56/80/597545680.db2.gz GTOINNCJEYDBPJ-KBPBESRZSA-N 2 2 343.468 1.015 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878056767 597572500 /nfs/dbraw/zinc/57/25/00/597572500.db2.gz WRXZBJDSCJDWCU-MRXNPFEDSA-N 2 2 325.497 1.678 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878109188 597579301 /nfs/dbraw/zinc/57/93/01/597579301.db2.gz NHRKUOOOQZNCRY-QGZVFWFLSA-N 2 2 328.497 1.211 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878109188 597579302 /nfs/dbraw/zinc/57/93/02/597579302.db2.gz NHRKUOOOQZNCRY-QGZVFWFLSA-N 2 2 328.497 1.211 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000881464193 597627140 /nfs/dbraw/zinc/62/71/40/597627140.db2.gz LMXRLGNSBSYKQA-IAGOWNOFSA-N 2 2 341.496 1.007 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000881464193 597627142 /nfs/dbraw/zinc/62/71/42/597627142.db2.gz LMXRLGNSBSYKQA-IAGOWNOFSA-N 2 2 341.496 1.007 20 0 EDADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCOc4ccccc43)CC[C@@H]21 ZINC000879581131 597641684 /nfs/dbraw/zinc/64/16/84/597641684.db2.gz WUQVKWOTCHRPQS-HOTGVXAUSA-N 2 2 329.444 1.828 20 0 EDADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCOc4ccccc43)CC[C@@H]21 ZINC000879581131 597641687 /nfs/dbraw/zinc/64/16/87/597641687.db2.gz WUQVKWOTCHRPQS-HOTGVXAUSA-N 2 2 329.444 1.828 20 0 EDADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CCOc4ccccc43)CC[C@@H]21 ZINC000879581131 597641689 /nfs/dbraw/zinc/64/16/89/597641689.db2.gz WUQVKWOTCHRPQS-HOTGVXAUSA-N 2 2 329.444 1.828 20 0 EDADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CCOc4ccccc43)CC[C@@H]21 ZINC000879581131 597641692 /nfs/dbraw/zinc/64/16/92/597641692.db2.gz WUQVKWOTCHRPQS-HOTGVXAUSA-N 2 2 329.444 1.828 20 0 EDADLP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879595431 597650556 /nfs/dbraw/zinc/65/05/56/597650556.db2.gz CBKHQWJHDWEIFN-INIZCTEOSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878644482 597666017 /nfs/dbraw/zinc/66/60/17/597666017.db2.gz WPIJAYJNBMSDAT-OAHLLOKOSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878644482 597666022 /nfs/dbraw/zinc/66/60/22/597666022.db2.gz WPIJAYJNBMSDAT-OAHLLOKOSA-N 2 2 348.466 1.547 20 0 EDADLP Cc1nonc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000883435806 597745596 /nfs/dbraw/zinc/74/55/96/597745596.db2.gz CVKSXWJVEOQBRR-UHFFFAOYSA-N 2 2 330.436 1.948 20 0 EDADLP Cc1nonc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000883435806 597745600 /nfs/dbraw/zinc/74/56/00/597745600.db2.gz CVKSXWJVEOQBRR-UHFFFAOYSA-N 2 2 330.436 1.948 20 0 EDADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@]12C[C@H]1CCCC2 ZINC000879263354 597869068 /nfs/dbraw/zinc/86/90/68/597869068.db2.gz NTXVNSSPILMQJS-FCEWJHQRSA-N 2 2 337.508 1.772 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880553613 597961883 /nfs/dbraw/zinc/96/18/83/597961883.db2.gz JCZQKHSHHJUJOE-ZWKOTPCHSA-N 2 2 333.476 1.410 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880553613 597961884 /nfs/dbraw/zinc/96/18/84/597961884.db2.gz JCZQKHSHHJUJOE-ZWKOTPCHSA-N 2 2 333.476 1.410 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880553613 597961885 /nfs/dbraw/zinc/96/18/85/597961885.db2.gz JCZQKHSHHJUJOE-ZWKOTPCHSA-N 2 2 333.476 1.410 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880553613 597961886 /nfs/dbraw/zinc/96/18/86/597961886.db2.gz JCZQKHSHHJUJOE-ZWKOTPCHSA-N 2 2 333.476 1.410 20 0 EDADLP O[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)COC[C@H]1CCCO1 ZINC000880567523 597965937 /nfs/dbraw/zinc/96/59/37/597965937.db2.gz JODLCDVWMMBDQN-GUDVDZBRSA-N 2 2 345.443 1.771 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C[C@H](C)O1 ZINC000880566748 597965948 /nfs/dbraw/zinc/96/59/48/597965948.db2.gz AEBHMJFGQPUJQJ-SOLBZPMBSA-N 2 2 342.443 1.850 20 0 EDADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000914250938 695305156 /nfs/dbraw/zinc/30/51/56/695305156.db2.gz GBTLOSKVNSSXFZ-QGZVFWFLSA-N 2 2 332.448 1.022 20 0 EDADLP C[N@H+]1CC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000914250938 695305160 /nfs/dbraw/zinc/30/51/60/695305160.db2.gz GBTLOSKVNSSXFZ-QGZVFWFLSA-N 2 2 332.448 1.022 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)ccc1C ZINC000939857429 699996424 /nfs/dbraw/zinc/99/64/24/699996424.db2.gz SROIHJXCVIVSER-DOTOQJQBSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccncc1Cl ZINC000939857679 699996889 /nfs/dbraw/zinc/99/68/89/699996889.db2.gz TYQLKFPIFYCEIG-SWLSCSKDSA-N 2 2 333.823 1.568 20 0 EDADLP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]21 ZINC000992837262 695396538 /nfs/dbraw/zinc/39/65/38/695396538.db2.gz PODCGRHJRQHKLS-FGTMMUONSA-N 2 2 349.519 1.868 20 0 EDADLP COCc1cccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c1 ZINC000939855250 699993179 /nfs/dbraw/zinc/99/31/79/699993179.db2.gz CAMXJCDCWIVRAY-QAPCUYQASA-N 2 2 342.443 1.666 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992927902 695458386 /nfs/dbraw/zinc/45/83/86/695458386.db2.gz YLJJZWUCZSCAQD-DJIMGWMZSA-N 2 2 343.431 1.596 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCNc1ccc(C)c[nH+]1 ZINC000915657653 695964467 /nfs/dbraw/zinc/96/44/67/695964467.db2.gz VGQLVOYKKFCONF-AWEZNQCLSA-N 2 2 330.436 1.942 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)o1 ZINC000994225899 696590895 /nfs/dbraw/zinc/59/08/95/696590895.db2.gz DOROFLQZWCLLCL-CZUORRHYSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)o1 ZINC000994225899 696590897 /nfs/dbraw/zinc/59/08/97/696590897.db2.gz DOROFLQZWCLLCL-CZUORRHYSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC000994417148 696832816 /nfs/dbraw/zinc/83/28/16/696832816.db2.gz CHBBFARFBWEEOR-DYVFJYSZSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC000994417148 696832820 /nfs/dbraw/zinc/83/28/20/696832820.db2.gz CHBBFARFBWEEOR-DYVFJYSZSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994412503 696838395 /nfs/dbraw/zinc/83/83/95/696838395.db2.gz VUBCUSXIIJYNTF-NVXWUHKLSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994412503 696838397 /nfs/dbraw/zinc/83/83/97/696838397.db2.gz VUBCUSXIIJYNTF-NVXWUHKLSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2nccnc2C)[C@H]1C ZINC000994425234 696847434 /nfs/dbraw/zinc/84/74/34/696847434.db2.gz RNWUHQOFSNLCAY-GOEBONIOSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2nccnc2C)[C@H]1C ZINC000994425234 696847436 /nfs/dbraw/zinc/84/74/36/696847436.db2.gz RNWUHQOFSNLCAY-GOEBONIOSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001031391331 697018692 /nfs/dbraw/zinc/01/86/92/697018692.db2.gz DYCRRBNQNQXRMK-CYBMUJFWSA-N 2 2 326.391 1.817 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000919127185 697246947 /nfs/dbraw/zinc/24/69/47/697246947.db2.gz OOIFHVPYMDAFAV-HOTGVXAUSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000919127185 697246948 /nfs/dbraw/zinc/24/69/48/697246948.db2.gz OOIFHVPYMDAFAV-HOTGVXAUSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)C1 ZINC000919127185 697246949 /nfs/dbraw/zinc/24/69/49/697246949.db2.gz OOIFHVPYMDAFAV-HOTGVXAUSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C1 ZINC000919127185 697246950 /nfs/dbraw/zinc/24/69/50/697246950.db2.gz OOIFHVPYMDAFAV-HOTGVXAUSA-N 2 2 326.485 1.079 20 0 EDADLP CC[C@@H](C(=O)N1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)[NH+](C)C ZINC000943409731 698217369 /nfs/dbraw/zinc/21/73/69/698217369.db2.gz VDVSIIUAUXHZPB-ZBFHGGJFSA-N 2 2 349.479 1.098 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2csnn2)C1 ZINC000995040588 700242175 /nfs/dbraw/zinc/24/21/75/700242175.db2.gz XJRQNXSRSBMBSG-OLZOCXBDSA-N 2 2 334.449 1.118 20 0 EDADLP COc1nscc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995157595 701565029 /nfs/dbraw/zinc/56/50/29/701565029.db2.gz ZKXJQYWKEWOPPB-YPMHNXCESA-N 2 2 349.460 1.492 20 0 EDADLP CCOC1CC(C[NH+]2CC(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001031784502 699203048 /nfs/dbraw/zinc/20/30/48/699203048.db2.gz UCXSCDZENPJICH-WIHSUSGWSA-N 2 2 346.475 1.309 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(O)ccc1Cl ZINC000939211157 699359020 /nfs/dbraw/zinc/35/90/20/699359020.db2.gz QQUACIBXEOZCHC-BZNIZROVSA-N 2 2 348.834 1.948 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939400395 699549505 /nfs/dbraw/zinc/54/95/05/699549505.db2.gz MXQPNWOMXWZFGP-XHDPSFHLSA-N 2 2 334.370 1.867 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)s1 ZINC000939409571 699564018 /nfs/dbraw/zinc/56/40/18/699564018.db2.gz VZISOYDKFGSGRV-GXFFZTMASA-N 2 2 333.461 1.662 20 0 EDADLP Cc1ccc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cc1 ZINC000939533574 699671590 /nfs/dbraw/zinc/67/15/90/699671590.db2.gz BSMJLKSRDSPTHS-LPHOPBHVSA-N 2 2 340.471 1.950 20 0 EDADLP COc1ccnc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)c1 ZINC000939621476 699757757 /nfs/dbraw/zinc/75/77/57/699757757.db2.gz ADYVUNILNSUCMI-PXAZEXFGSA-N 2 2 343.431 1.301 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)n1 ZINC000939622100 699758759 /nfs/dbraw/zinc/75/87/59/699758759.db2.gz IRMDGDJJLBGDSM-IINYFYTJSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2C)C1 ZINC000939622084 699758986 /nfs/dbraw/zinc/75/89/86/699758986.db2.gz INPXPLWEYUKWFT-SJKOYZFVSA-N 2 2 327.432 1.601 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)o1 ZINC000939625776 699763330 /nfs/dbraw/zinc/76/33/30/699763330.db2.gz FAZUXKHKTXXNRA-BMIGLBTASA-N 2 2 331.420 1.502 20 0 EDADLP Cc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1[N+](=O)[O-] ZINC000183393071 701610851 /nfs/dbraw/zinc/61/08/51/701610851.db2.gz MFTOEHUXYKUFMR-XYPWUTKMSA-N 2 2 348.451 1.300 20 0 EDADLP Cc1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1[N+](=O)[O-] ZINC000183393071 701610852 /nfs/dbraw/zinc/61/08/52/701610852.db2.gz MFTOEHUXYKUFMR-XYPWUTKMSA-N 2 2 348.451 1.300 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939642126 699771591 /nfs/dbraw/zinc/77/15/91/699771591.db2.gz HSQAJOUNVBTMOF-WBMJQRKESA-N 2 2 331.420 1.286 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC000939745545 699911520 /nfs/dbraw/zinc/91/15/20/699911520.db2.gz DDFBXUCJQKFGDJ-TZMCWYRMSA-N 2 2 345.451 1.070 20 0 EDADLP CC1(C)CO[C@@H](C[NH+]2CC(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001031968418 701652628 /nfs/dbraw/zinc/65/26/28/701652628.db2.gz VYWIRVZGLSHRLL-CABCVRRESA-N 2 2 346.475 1.693 20 0 EDADLP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC000940426010 700619334 /nfs/dbraw/zinc/61/93/34/700619334.db2.gz BKJAEQLIICKCNW-UHFFFAOYSA-N 2 2 346.435 1.079 20 0 EDADLP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000940426514 700620491 /nfs/dbraw/zinc/62/04/91/700620491.db2.gz UOUOSXVCNIZDDL-UHFFFAOYSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940442056 700643682 /nfs/dbraw/zinc/64/36/82/700643682.db2.gz XPFXQXLMDBQIMB-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC000940482814 700670693 /nfs/dbraw/zinc/67/06/93/700670693.db2.gz SZRMYQWDNQNUKU-UHFFFAOYSA-N 2 2 333.461 1.819 20 0 EDADLP O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001031968495 701662934 /nfs/dbraw/zinc/66/29/34/701662934.db2.gz YTTCIORFJBNOGB-ZDUSSCGKSA-N 2 2 338.402 1.923 20 0 EDADLP CC(C)=CC[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001032122952 701665195 /nfs/dbraw/zinc/66/51/95/701665195.db2.gz IHVCENUZGGEENZ-UHFFFAOYSA-N 2 2 325.416 1.895 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cscn2)CC1(C)C ZINC000940617486 700799411 /nfs/dbraw/zinc/79/94/11/700799411.db2.gz KTWNEGJBBBLFNK-CABCVRRESA-N 2 2 336.505 1.954 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cscn2)CC1(C)C ZINC000940617486 700799412 /nfs/dbraw/zinc/79/94/12/700799412.db2.gz KTWNEGJBBBLFNK-CABCVRRESA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC000940617486 700799413 /nfs/dbraw/zinc/79/94/13/700799413.db2.gz KTWNEGJBBBLFNK-CABCVRRESA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC000940617486 700799415 /nfs/dbraw/zinc/79/94/15/700799415.db2.gz KTWNEGJBBBLFNK-CABCVRRESA-N 2 2 336.505 1.954 20 0 EDADLP CC1(C)C[N@H+](CCF)CC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000940762776 700884628 /nfs/dbraw/zinc/88/46/28/700884628.db2.gz BFKAPSMZIJFINR-HNNXBMFYSA-N 2 2 336.455 1.948 20 0 EDADLP CC1(C)C[N@@H+](CCF)CC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000940762776 700884630 /nfs/dbraw/zinc/88/46/30/700884630.db2.gz BFKAPSMZIJFINR-HNNXBMFYSA-N 2 2 336.455 1.948 20 0 EDADLP Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842638 700938638 /nfs/dbraw/zinc/93/86/38/700938638.db2.gz LBPRFWKBSVKBLD-IRXDYDNUSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842638 700938639 /nfs/dbraw/zinc/93/86/39/700938639.db2.gz LBPRFWKBSVKBLD-IRXDYDNUSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842638 700938640 /nfs/dbraw/zinc/93/86/40/700938640.db2.gz LBPRFWKBSVKBLD-IRXDYDNUSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842638 700938641 /nfs/dbraw/zinc/93/86/41/700938641.db2.gz LBPRFWKBSVKBLD-IRXDYDNUSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2nccn2C)CC1(C)C ZINC000941034020 701077620 /nfs/dbraw/zinc/07/76/20/701077620.db2.gz ZUIWKHMULMQXKJ-HZPDHXFCSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2nccn2C)CC1(C)C ZINC000941034020 701077622 /nfs/dbraw/zinc/07/76/22/701077622.db2.gz ZUIWKHMULMQXKJ-HZPDHXFCSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2nccn2C)CC1(C)C ZINC000941034020 701077625 /nfs/dbraw/zinc/07/76/25/701077625.db2.gz ZUIWKHMULMQXKJ-HZPDHXFCSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2nccn2C)CC1(C)C ZINC000941034020 701077628 /nfs/dbraw/zinc/07/76/28/701077628.db2.gz ZUIWKHMULMQXKJ-HZPDHXFCSA-N 2 2 347.507 1.621 20 0 EDADLP CC1(C)C[N@H+](CCC[C@@H]2CCOC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061792 701109289 /nfs/dbraw/zinc/10/92/89/701109289.db2.gz QLSRLWNZZDYAFA-NVXWUHKLSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@@H+](CCC[C@@H]2CCOC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061792 701109290 /nfs/dbraw/zinc/10/92/90/701109290.db2.gz QLSRLWNZZDYAFA-NVXWUHKLSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000941137198 701196655 /nfs/dbraw/zinc/19/66/55/701196655.db2.gz WYBNSWKCNBPQOP-QGZVFWFLSA-N 2 2 342.443 1.695 20 0 EDADLP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000941137198 701196657 /nfs/dbraw/zinc/19/66/57/701196657.db2.gz WYBNSWKCNBPQOP-QGZVFWFLSA-N 2 2 342.443 1.695 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945808057 701198986 /nfs/dbraw/zinc/19/89/86/701198986.db2.gz NJJIQGSHQVNMOK-XJKSGUPXSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945808057 701198989 /nfs/dbraw/zinc/19/89/89/701198989.db2.gz NJJIQGSHQVNMOK-XJKSGUPXSA-N 2 2 345.447 1.769 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941237032 701427840 /nfs/dbraw/zinc/42/78/40/701427840.db2.gz GHOFSCYZHGWOSH-HOTGVXAUSA-N 2 2 349.479 1.661 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941237032 701427841 /nfs/dbraw/zinc/42/78/41/701427841.db2.gz GHOFSCYZHGWOSH-HOTGVXAUSA-N 2 2 349.479 1.661 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000941237032 701427842 /nfs/dbraw/zinc/42/78/42/701427842.db2.gz GHOFSCYZHGWOSH-HOTGVXAUSA-N 2 2 349.479 1.661 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000941237032 701427843 /nfs/dbraw/zinc/42/78/43/701427843.db2.gz GHOFSCYZHGWOSH-HOTGVXAUSA-N 2 2 349.479 1.661 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001032130411 701842476 /nfs/dbraw/zinc/84/24/76/701842476.db2.gz OYMMTGZOQOCCHU-UHFFFAOYSA-N 2 2 344.459 1.124 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000995739718 701899517 /nfs/dbraw/zinc/89/95/17/701899517.db2.gz WVKQNLJUIWTBKJ-HNNXBMFYSA-N 2 2 345.422 1.903 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995743298 701945168 /nfs/dbraw/zinc/94/51/68/701945168.db2.gz FQCCUMBXOXQNEU-GJZGRUSLSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000944443029 702024599 /nfs/dbraw/zinc/02/45/99/702024599.db2.gz FIVJAPGUZFHEHD-BBRMVZONSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000944443029 702024605 /nfs/dbraw/zinc/02/46/05/702024605.db2.gz FIVJAPGUZFHEHD-BBRMVZONSA-N 2 2 327.432 1.682 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000995879079 702186112 /nfs/dbraw/zinc/18/61/12/702186112.db2.gz BKHNXCCOJZQIBG-AWEZNQCLSA-N 2 2 333.461 1.826 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC000995188401 702215961 /nfs/dbraw/zinc/21/59/61/702215961.db2.gz VZMWLYFAITUXCT-KGLIPLIRSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)o1 ZINC000944099724 702270762 /nfs/dbraw/zinc/27/07/62/702270762.db2.gz SABWUDPNVMXIHA-MLGOLLRUSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)o1 ZINC000944099724 702270769 /nfs/dbraw/zinc/27/07/69/702270769.db2.gz SABWUDPNVMXIHA-MLGOLLRUSA-N 2 2 331.420 1.286 20 0 EDADLP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944123476 702296607 /nfs/dbraw/zinc/29/66/07/702296607.db2.gz USRKQKUOCIOFJX-GOEBONIOSA-N 2 2 343.431 1.090 20 0 EDADLP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944123476 702296610 /nfs/dbraw/zinc/29/66/10/702296610.db2.gz USRKQKUOCIOFJX-GOEBONIOSA-N 2 2 343.431 1.090 20 0 EDADLP CC1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000996037061 702423686 /nfs/dbraw/zinc/42/36/86/702423686.db2.gz BUGCTJRUJMVZKF-ZBFHGGJFSA-N 2 2 342.443 1.811 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)n1 ZINC000944152864 702439787 /nfs/dbraw/zinc/43/97/87/702439787.db2.gz DWWQYGARIXJDRK-GOEBONIOSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)n1 ZINC000944152864 702439789 /nfs/dbraw/zinc/43/97/89/702439789.db2.gz DWWQYGARIXJDRK-GOEBONIOSA-N 2 2 343.475 1.207 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1[NH2+]CCF ZINC000996090189 702499657 /nfs/dbraw/zinc/49/96/57/702499657.db2.gz KTOVKZSTHSUUMB-HZPDHXFCSA-N 2 2 341.471 1.283 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1[NH2+]CCF ZINC000996090189 702499660 /nfs/dbraw/zinc/49/96/60/702499660.db2.gz KTOVKZSTHSUUMB-HZPDHXFCSA-N 2 2 341.471 1.283 20 0 EDADLP Cc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665926 706679241 /nfs/dbraw/zinc/67/92/41/706679241.db2.gz MPDRURBGEBKDKK-IRXDYDNUSA-N 2 2 332.448 1.500 20 0 EDADLP Cc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665926 706679243 /nfs/dbraw/zinc/67/92/43/706679243.db2.gz MPDRURBGEBKDKK-IRXDYDNUSA-N 2 2 332.448 1.500 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996219707 702631204 /nfs/dbraw/zinc/63/12/04/702631204.db2.gz BCBXWASTGJTZGD-CQSZACIVSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)no1 ZINC000995211766 702698546 /nfs/dbraw/zinc/69/85/46/702698546.db2.gz ODDBBDLIHJPNRI-KBPBESRZSA-N 2 2 335.452 1.102 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)[nH]1 ZINC000942257526 702748750 /nfs/dbraw/zinc/74/87/50/702748750.db2.gz MGEMXMLICYIQJV-HIFRSBDPSA-N 2 2 346.479 1.068 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)[nH]1 ZINC000942257526 702748751 /nfs/dbraw/zinc/74/87/51/702748751.db2.gz MGEMXMLICYIQJV-HIFRSBDPSA-N 2 2 346.479 1.068 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942290150 702796297 /nfs/dbraw/zinc/79/62/97/702796297.db2.gz ZSHNAIMMCGMXJU-CXAGYDPISA-N 2 2 339.399 1.963 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942290150 702796300 /nfs/dbraw/zinc/79/63/00/702796300.db2.gz ZSHNAIMMCGMXJU-CXAGYDPISA-N 2 2 339.399 1.963 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996527067 702843101 /nfs/dbraw/zinc/84/31/01/702843101.db2.gz XPATYOAIGDOLOX-HNNXBMFYSA-N 2 2 344.419 1.171 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996516209 702851809 /nfs/dbraw/zinc/85/18/09/702851809.db2.gz YHYSDKYCDFSEFH-GDBMZVCRSA-N 2 2 348.491 1.941 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n1 ZINC000996518363 702853780 /nfs/dbraw/zinc/85/37/80/702853780.db2.gz DJACTTVMHILLNL-OCCSQVGLSA-N 2 2 347.463 1.361 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996562396 702876269 /nfs/dbraw/zinc/87/62/69/702876269.db2.gz KNXQROGJFMUKIF-MRXNPFEDSA-N 2 2 345.447 1.892 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996568334 702879969 /nfs/dbraw/zinc/87/99/69/702879969.db2.gz CQNSHJCCZLELKJ-INIZCTEOSA-N 2 2 345.447 1.676 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1 ZINC000996563912 702885044 /nfs/dbraw/zinc/88/50/44/702885044.db2.gz QJRQQTMHCUUMLJ-MRXNPFEDSA-N 2 2 345.422 1.822 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)n1 ZINC000996611722 702917036 /nfs/dbraw/zinc/91/70/36/702917036.db2.gz OHTPMCISVDWHBI-SMDDNHRTSA-N 2 2 346.435 1.471 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2cscn2)C(C)(C)C1 ZINC000996611760 702917133 /nfs/dbraw/zinc/91/71/33/702917133.db2.gz OTPMKYDZHLKSSF-CQSZACIVSA-N 2 2 333.461 1.675 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000996669856 702971239 /nfs/dbraw/zinc/97/12/39/702971239.db2.gz IRQMFTUWOISQRP-GJZGRUSLSA-N 2 2 349.479 1.579 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000996669856 702971242 /nfs/dbraw/zinc/97/12/42/702971242.db2.gz IRQMFTUWOISQRP-GJZGRUSLSA-N 2 2 349.479 1.579 20 0 EDADLP CCn1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995253059 702972353 /nfs/dbraw/zinc/97/23/53/702972353.db2.gz SIBDFHGLEVSSBH-LSDHHAIUSA-N 2 2 330.436 1.174 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)c[nH+]1 ZINC000996718531 703012041 /nfs/dbraw/zinc/01/20/41/703012041.db2.gz UWKUOQBFFOXDDR-UHFFFAOYSA-N 2 2 344.463 1.441 20 0 EDADLP Cn1cc(C[NH2+]C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cn1 ZINC000996728694 703023474 /nfs/dbraw/zinc/02/34/74/703023474.db2.gz KGBBEMYZOSBMEK-UHFFFAOYSA-N 2 2 338.415 1.691 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)on1 ZINC000996760014 703048539 /nfs/dbraw/zinc/04/85/39/703048539.db2.gz RFBKNHCCMBHGMI-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1noc(C[NH2+]C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)n1 ZINC000996770555 703065628 /nfs/dbraw/zinc/06/56/28/703065628.db2.gz WVXQUMWRVDFVFF-UHFFFAOYSA-N 2 2 340.387 1.420 20 0 EDADLP CCc1cnc(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC000996797744 703089697 /nfs/dbraw/zinc/08/96/97/703089697.db2.gz JNSQVJXYQNPWCX-UHFFFAOYSA-N 2 2 331.420 1.523 20 0 EDADLP C[C@H]1C[N@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598455 703113608 /nfs/dbraw/zinc/11/36/08/703113608.db2.gz XRJIOHBHMGCJSK-HOCLYGCPSA-N 2 2 331.464 1.145 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598455 703113611 /nfs/dbraw/zinc/11/36/11/703113611.db2.gz XRJIOHBHMGCJSK-HOCLYGCPSA-N 2 2 331.464 1.145 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC([NH2+][C@H]3CCN(C)C3=O)CC2)c(C)[nH+]1 ZINC000996829716 703118750 /nfs/dbraw/zinc/11/87/50/703118750.db2.gz GSINZBFSZCUGMN-INIZCTEOSA-N 2 2 344.459 1.432 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)cn1 ZINC001032042938 703210467 /nfs/dbraw/zinc/21/04/67/703210467.db2.gz PASUILZIMXGGKM-QZTJIDSGSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)cn1 ZINC001032042938 703210470 /nfs/dbraw/zinc/21/04/70/703210470.db2.gz PASUILZIMXGGKM-QZTJIDSGSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)cn1 ZINC001032042937 703210485 /nfs/dbraw/zinc/21/04/85/703210485.db2.gz PASUILZIMXGGKM-MSOLQXFVSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)cn1 ZINC001032042937 703210487 /nfs/dbraw/zinc/21/04/87/703210487.db2.gz PASUILZIMXGGKM-MSOLQXFVSA-N 2 2 343.475 1.350 20 0 EDADLP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000997039105 703290268 /nfs/dbraw/zinc/29/02/68/703290268.db2.gz ACPLXIIUORCMNC-UHFFFAOYSA-N 2 2 331.420 1.592 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997040732 703291313 /nfs/dbraw/zinc/29/13/13/703291313.db2.gz JHEWCROGFCUAMX-UHFFFAOYSA-N 2 2 329.404 1.598 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000997044525 703293441 /nfs/dbraw/zinc/29/34/41/703293441.db2.gz HXDFYDNCDVJFPZ-CYBMUJFWSA-N 2 2 331.420 1.911 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+]Cc2cnns2)CC1)n1cc[nH+]c1 ZINC000997046651 703295378 /nfs/dbraw/zinc/29/53/78/703295378.db2.gz RISRBROSTNUABJ-LBPRGKRZSA-N 2 2 334.449 1.467 20 0 EDADLP COc1cccc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000997128950 703387829 /nfs/dbraw/zinc/38/78/29/703387829.db2.gz XAVXSEBOMYOQGA-UHFFFAOYSA-N 2 2 329.404 1.137 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997178683 703465487 /nfs/dbraw/zinc/46/54/87/703465487.db2.gz FHRSVRIFDFIXKY-UHFFFAOYSA-N 2 2 343.431 1.609 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)nn1C ZINC000997181464 703469971 /nfs/dbraw/zinc/46/99/71/703469971.db2.gz AFWZNSXAXWDBOH-UHFFFAOYSA-N 2 2 344.463 1.510 20 0 EDADLP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CC[NH+](CCF)CC1 ZINC000997185385 703474330 /nfs/dbraw/zinc/47/43/30/703474330.db2.gz GCZMDUDUNKUEOH-GFCCVEGCSA-N 2 2 326.416 1.536 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)n[nH]1 ZINC001032416824 703488542 /nfs/dbraw/zinc/48/85/42/703488542.db2.gz NBNWGTXHGSGAPH-HEHGZKQESA-N 2 2 335.427 1.435 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)n[nH]1 ZINC001032416824 703488543 /nfs/dbraw/zinc/48/85/43/703488543.db2.gz NBNWGTXHGSGAPH-HEHGZKQESA-N 2 2 335.427 1.435 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)n[nH]1 ZINC001032416824 703488544 /nfs/dbraw/zinc/48/85/44/703488544.db2.gz NBNWGTXHGSGAPH-HEHGZKQESA-N 2 2 335.427 1.435 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)n[nH]1 ZINC001032416824 703488545 /nfs/dbraw/zinc/48/85/45/703488545.db2.gz NBNWGTXHGSGAPH-HEHGZKQESA-N 2 2 335.427 1.435 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997220867 703499042 /nfs/dbraw/zinc/49/90/42/703499042.db2.gz GPEQFHRAOPUOBU-UHFFFAOYSA-N 2 2 330.436 1.083 20 0 EDADLP CCn1ccnc1C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997211278 703510793 /nfs/dbraw/zinc/51/07/93/703510793.db2.gz QJJBBQFHSQVHGP-UHFFFAOYSA-N 2 2 330.436 1.258 20 0 EDADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000921555622 703527126 /nfs/dbraw/zinc/52/71/26/703527126.db2.gz FGJXGERXVWBQFZ-ARFHVFGLSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000921555622 703527119 /nfs/dbraw/zinc/52/71/19/703527119.db2.gz FGJXGERXVWBQFZ-ARFHVFGLSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000921555622 703527122 /nfs/dbraw/zinc/52/71/22/703527122.db2.gz FGJXGERXVWBQFZ-ARFHVFGLSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000921555622 703527124 /nfs/dbraw/zinc/52/71/24/703527124.db2.gz FGJXGERXVWBQFZ-ARFHVFGLSA-N 2 2 326.485 1.077 20 0 EDADLP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997299298 703556980 /nfs/dbraw/zinc/55/69/80/703556980.db2.gz XXEDZGMENSTWOP-HIFRSBDPSA-N 2 2 334.464 1.693 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000997309398 703566939 /nfs/dbraw/zinc/56/69/39/703566939.db2.gz JPYHJDQCLZGLDS-ZDUSSCGKSA-N 2 2 331.420 1.830 20 0 EDADLP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032444151 703620979 /nfs/dbraw/zinc/62/09/79/703620979.db2.gz NHBMUXOJMQQQEZ-ULQDDVLXSA-N 2 2 333.480 1.145 20 0 EDADLP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032444151 703620981 /nfs/dbraw/zinc/62/09/81/703620981.db2.gz NHBMUXOJMQQQEZ-ULQDDVLXSA-N 2 2 333.480 1.145 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2=CCCCC2)O1 ZINC001032473590 703691841 /nfs/dbraw/zinc/69/18/41/703691841.db2.gz VUTSDNMGLNSYCZ-LAVFITLUSA-N 2 2 333.476 1.491 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2=CCCCC2)O1 ZINC001032473590 703691843 /nfs/dbraw/zinc/69/18/43/703691843.db2.gz VUTSDNMGLNSYCZ-LAVFITLUSA-N 2 2 333.476 1.491 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CCCCC2)O1 ZINC001032473590 703691844 /nfs/dbraw/zinc/69/18/44/703691844.db2.gz VUTSDNMGLNSYCZ-LAVFITLUSA-N 2 2 333.476 1.491 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CCCCC2)O1 ZINC001032473590 703691847 /nfs/dbraw/zinc/69/18/47/703691847.db2.gz VUTSDNMGLNSYCZ-LAVFITLUSA-N 2 2 333.476 1.491 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCCO2)no1 ZINC001032489803 703763126 /nfs/dbraw/zinc/76/31/26/703763126.db2.gz ZHAYSKKZMGTEST-KKUMJFAQSA-N 2 2 348.447 1.204 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCCO2)no1 ZINC001032489803 703763127 /nfs/dbraw/zinc/76/31/27/703763127.db2.gz ZHAYSKKZMGTEST-KKUMJFAQSA-N 2 2 348.447 1.204 20 0 EDADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997532008 703785975 /nfs/dbraw/zinc/78/59/75/703785975.db2.gz XYQHUKGRGLWLBB-WBSOJBIMSA-N 2 2 329.872 1.286 20 0 EDADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997532008 703785977 /nfs/dbraw/zinc/78/59/77/703785977.db2.gz XYQHUKGRGLWLBB-WBSOJBIMSA-N 2 2 329.872 1.286 20 0 EDADLP CC(C)c1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000997604656 703900023 /nfs/dbraw/zinc/90/00/23/703900023.db2.gz BZBPUIQITDOXMG-HNNXBMFYSA-N 2 2 349.479 1.615 20 0 EDADLP CC(C)c1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000997604656 703900024 /nfs/dbraw/zinc/90/00/24/703900024.db2.gz BZBPUIQITDOXMG-HNNXBMFYSA-N 2 2 349.479 1.615 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001004200578 703927110 /nfs/dbraw/zinc/92/71/10/703927110.db2.gz DKGGHFMYAKYUMU-MRXNPFEDSA-N 2 2 335.452 1.333 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001004200578 703927113 /nfs/dbraw/zinc/92/71/13/703927113.db2.gz DKGGHFMYAKYUMU-MRXNPFEDSA-N 2 2 335.452 1.333 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995549165 703927395 /nfs/dbraw/zinc/92/73/95/703927395.db2.gz ABCSTFJODFEIBX-STQMWFEESA-N 2 2 335.452 1.053 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995549165 703927398 /nfs/dbraw/zinc/92/73/98/703927398.db2.gz ABCSTFJODFEIBX-STQMWFEESA-N 2 2 335.452 1.053 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)no1 ZINC001004203170 703938625 /nfs/dbraw/zinc/93/86/25/703938625.db2.gz IBAGJJCZLNPCGE-ZIAGYGMSSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC001004204725 703944510 /nfs/dbraw/zinc/94/45/10/703944510.db2.gz VMBNBBWZALFWDE-IYBDPMFKSA-N 2 2 345.491 1.738 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC001004204725 703944515 /nfs/dbraw/zinc/94/45/15/703944515.db2.gz VMBNBBWZALFWDE-IYBDPMFKSA-N 2 2 345.491 1.738 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069794 704098040 /nfs/dbraw/zinc/09/80/40/704098040.db2.gz LAHIQEHNUXBDOL-FUHWJXTLSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069794 704098043 /nfs/dbraw/zinc/09/80/43/704098043.db2.gz LAHIQEHNUXBDOL-FUHWJXTLSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033069794 704098045 /nfs/dbraw/zinc/09/80/45/704098045.db2.gz LAHIQEHNUXBDOL-FUHWJXTLSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033069794 704098048 /nfs/dbraw/zinc/09/80/48/704098048.db2.gz LAHIQEHNUXBDOL-FUHWJXTLSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC001033070839 704105072 /nfs/dbraw/zinc/10/50/72/704105072.db2.gz SSLUYAGZULNQBN-WBVHZDCISA-N 2 2 334.464 1.889 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC001033070839 704105075 /nfs/dbraw/zinc/10/50/75/704105075.db2.gz SSLUYAGZULNQBN-WBVHZDCISA-N 2 2 334.464 1.889 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)o1 ZINC001033070839 704105076 /nfs/dbraw/zinc/10/50/76/704105076.db2.gz SSLUYAGZULNQBN-WBVHZDCISA-N 2 2 334.464 1.889 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)o1 ZINC001033070839 704105080 /nfs/dbraw/zinc/10/50/80/704105080.db2.gz SSLUYAGZULNQBN-WBVHZDCISA-N 2 2 334.464 1.889 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001033080738 704135032 /nfs/dbraw/zinc/13/50/32/704135032.db2.gz ITISGKUMMCKGMN-IRXDYDNUSA-N 2 2 332.448 1.358 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001033080738 704135035 /nfs/dbraw/zinc/13/50/35/704135035.db2.gz ITISGKUMMCKGMN-IRXDYDNUSA-N 2 2 332.448 1.358 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033095237 704181387 /nfs/dbraw/zinc/18/13/87/704181387.db2.gz VAEQGUJXWCAPRM-IIAWOOMASA-N 2 2 334.464 1.610 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033095237 704181389 /nfs/dbraw/zinc/18/13/89/704181389.db2.gz VAEQGUJXWCAPRM-IIAWOOMASA-N 2 2 334.464 1.610 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001033095237 704181392 /nfs/dbraw/zinc/18/13/92/704181392.db2.gz VAEQGUJXWCAPRM-IIAWOOMASA-N 2 2 334.464 1.610 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001033095237 704181395 /nfs/dbraw/zinc/18/13/95/704181395.db2.gz VAEQGUJXWCAPRM-IIAWOOMASA-N 2 2 334.464 1.610 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCOC1 ZINC001032535037 704567573 /nfs/dbraw/zinc/56/75/73/704567573.db2.gz PMWWYTACWACBCR-JYJNAYRXSA-N 2 2 332.448 1.064 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCOC1 ZINC001032535037 704567576 /nfs/dbraw/zinc/56/75/76/704567576.db2.gz PMWWYTACWACBCR-JYJNAYRXSA-N 2 2 332.448 1.064 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032544434 704643721 /nfs/dbraw/zinc/64/37/21/704643721.db2.gz SIYIFXPPOPMHLY-IRXDYDNUSA-N 2 2 326.400 1.153 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032544434 704643722 /nfs/dbraw/zinc/64/37/22/704643722.db2.gz SIYIFXPPOPMHLY-IRXDYDNUSA-N 2 2 326.400 1.153 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)no1 ZINC000997854447 704766437 /nfs/dbraw/zinc/76/64/37/704766437.db2.gz DVQYFBDELZKTBS-CQSZACIVSA-N 2 2 337.468 1.300 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944945851 704799028 /nfs/dbraw/zinc/79/90/28/704799028.db2.gz SRQHOLSSAMSODQ-KBPBESRZSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944945851 704799030 /nfs/dbraw/zinc/79/90/30/704799030.db2.gz SRQHOLSSAMSODQ-KBPBESRZSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963467 704829234 /nfs/dbraw/zinc/82/92/34/704829234.db2.gz ALKWCBIBXOGDRB-GXTWGEPZSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963467 704829241 /nfs/dbraw/zinc/82/92/41/704829241.db2.gz ALKWCBIBXOGDRB-GXTWGEPZSA-N 2 2 346.435 1.164 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)n1 ZINC000944963537 704830227 /nfs/dbraw/zinc/83/02/27/704830227.db2.gz BOQSKCUVQGSCAM-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)n1 ZINC000944963537 704830233 /nfs/dbraw/zinc/83/02/33/704830233.db2.gz BOQSKCUVQGSCAM-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965360 704835925 /nfs/dbraw/zinc/83/59/25/704835925.db2.gz RIFDGOZVUGBLST-GDBMZVCRSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965360 704835930 /nfs/dbraw/zinc/83/59/30/704835930.db2.gz RIFDGOZVUGBLST-GDBMZVCRSA-N 2 2 344.463 1.435 20 0 EDADLP Cc1oncc1C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000997951646 705070682 /nfs/dbraw/zinc/07/06/82/705070682.db2.gz IPTYXFDUPVLXOG-UHFFFAOYSA-N 2 2 331.420 1.598 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)CCO1 ZINC000997953648 705082874 /nfs/dbraw/zinc/08/28/74/705082874.db2.gz XFVVPQMSESHMCD-FUHWJXTLSA-N 2 2 348.491 1.917 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000998115189 705366313 /nfs/dbraw/zinc/36/63/13/705366313.db2.gz MZGLIMKHUHPZBL-UHFFFAOYSA-N 2 2 331.395 1.515 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998138902 705404678 /nfs/dbraw/zinc/40/46/78/705404678.db2.gz MUUBWVUZFVDBMC-CRAIPNDOSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998138902 705404681 /nfs/dbraw/zinc/40/46/81/705404681.db2.gz MUUBWVUZFVDBMC-CRAIPNDOSA-N 2 2 348.491 1.986 20 0 EDADLP Cc1conc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000998221112 705545674 /nfs/dbraw/zinc/54/56/74/705545674.db2.gz BZEZHBIZNNYGCP-UHFFFAOYSA-N 2 2 331.420 1.287 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032612119 705587514 /nfs/dbraw/zinc/58/75/14/705587514.db2.gz VSYQIJYVRLRTIJ-YESZJQIVSA-N 2 2 333.480 1.100 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032612119 705587516 /nfs/dbraw/zinc/58/75/16/705587516.db2.gz VSYQIJYVRLRTIJ-YESZJQIVSA-N 2 2 333.480 1.100 20 0 EDADLP Cc1nocc1C[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000998244915 705591496 /nfs/dbraw/zinc/59/14/96/705591496.db2.gz QNHTVOOLXARNQG-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP COc1cccc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000998297887 705701198 /nfs/dbraw/zinc/70/11/98/705701198.db2.gz PXJYKQGWFZLEGJ-UHFFFAOYSA-N 2 2 343.431 1.315 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000998297881 705701381 /nfs/dbraw/zinc/70/13/81/705701381.db2.gz PNKZRIMRRUUAGS-UHFFFAOYSA-N 2 2 342.447 1.054 20 0 EDADLP CCc1nnc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC000998298117 705701788 /nfs/dbraw/zinc/70/17/88/705701788.db2.gz VISZSHBBBSBLON-UHFFFAOYSA-N 2 2 348.476 1.325 20 0 EDADLP CC(C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998298546 705702421 /nfs/dbraw/zinc/70/24/21/705702421.db2.gz XXDWNXZUMHGURW-OLZOCXBDSA-N 2 2 332.370 1.977 20 0 EDADLP CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C(F)(F)F ZINC000998304090 705706929 /nfs/dbraw/zinc/70/69/29/705706929.db2.gz NWDYDLJWHBTIOP-QWHCGFSZSA-N 2 2 332.370 1.742 20 0 EDADLP Cc1cccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001032628270 705741251 /nfs/dbraw/zinc/74/12/51/705741251.db2.gz VUJWRQDKVKSGEC-PVAVHDDUSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001032628270 705741255 /nfs/dbraw/zinc/74/12/55/705741255.db2.gz VUJWRQDKVKSGEC-PVAVHDDUSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032628270 705741256 /nfs/dbraw/zinc/74/12/56/705741256.db2.gz VUJWRQDKVKSGEC-PVAVHDDUSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032628270 705741259 /nfs/dbraw/zinc/74/12/59/705741259.db2.gz VUJWRQDKVKSGEC-PVAVHDDUSA-N 2 2 328.460 1.517 20 0 EDADLP CCc1[nH]nc(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000921654787 705842307 /nfs/dbraw/zinc/84/23/07/705842307.db2.gz YDMWCHQYUJPYCU-AWEZNQCLSA-N 2 2 341.887 1.658 20 0 EDADLP CCc1[nH]nc(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000921654787 705842310 /nfs/dbraw/zinc/84/23/10/705842310.db2.gz YDMWCHQYUJPYCU-AWEZNQCLSA-N 2 2 341.887 1.658 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000998938882 706378882 /nfs/dbraw/zinc/37/88/82/706378882.db2.gz IXINZCRTQXELNP-QDIHITRGSA-N 2 2 342.447 1.068 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000998938882 706378884 /nfs/dbraw/zinc/37/88/84/706378884.db2.gz IXINZCRTQXELNP-QDIHITRGSA-N 2 2 342.447 1.068 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000998989594 706421351 /nfs/dbraw/zinc/42/13/51/706421351.db2.gz ULZZJKLIDADZAG-YMAMQOFZSA-N 2 2 347.463 1.510 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999834800 707468246 /nfs/dbraw/zinc/46/82/46/707468246.db2.gz FXNNFZRIFFGISP-KRWDZBQOSA-N 2 2 334.464 1.671 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999111538 706538054 /nfs/dbraw/zinc/53/80/54/706538054.db2.gz VFISVPYSALHEIL-FHERZECASA-N 2 2 342.443 1.954 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000999142613 706555852 /nfs/dbraw/zinc/55/58/52/706555852.db2.gz BSBKXQPKBVYFPX-GJZGRUSLSA-N 2 2 335.452 1.331 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000999142613 706555855 /nfs/dbraw/zinc/55/58/55/706555855.db2.gz BSBKXQPKBVYFPX-GJZGRUSLSA-N 2 2 335.452 1.331 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999145043 706558546 /nfs/dbraw/zinc/55/85/46/706558546.db2.gz OWCUJHLJWUVEEW-ZFWWWQNUSA-N 2 2 337.493 1.492 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999145043 706558548 /nfs/dbraw/zinc/55/85/48/706558548.db2.gz OWCUJHLJWUVEEW-ZFWWWQNUSA-N 2 2 337.493 1.492 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999321088 706821557 /nfs/dbraw/zinc/82/15/57/706821557.db2.gz ZAVSJNOARYDKBO-UHFFFAOYSA-N 2 2 343.431 1.524 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC000999346016 706857833 /nfs/dbraw/zinc/85/78/33/706857833.db2.gz CQQVCEKHJFJYNG-ZDUSSCGKSA-N 2 2 335.452 1.197 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999362562 706876208 /nfs/dbraw/zinc/87/62/08/706876208.db2.gz BRSJTZSZGQLMQJ-AWEZNQCLSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999362562 706876209 /nfs/dbraw/zinc/87/62/09/706876209.db2.gz BRSJTZSZGQLMQJ-AWEZNQCLSA-N 2 2 349.479 1.758 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999385108 706897925 /nfs/dbraw/zinc/89/79/25/706897925.db2.gz KTCYGGFFSAWRCQ-PIMMBPRGSA-N 2 2 342.447 1.342 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)c[nH+]1 ZINC000999467894 706976052 /nfs/dbraw/zinc/97/60/52/706976052.db2.gz VBACLWPRRWFABO-MRXNPFEDSA-N 2 2 344.463 1.441 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000999469404 706978630 /nfs/dbraw/zinc/97/86/30/706978630.db2.gz MPDCHJMKPLHBIM-UHFFFAOYSA-N 2 2 330.407 1.913 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999472677 706981479 /nfs/dbraw/zinc/98/14/79/706981479.db2.gz JELIORYFEJGZKZ-UHFFFAOYSA-N 2 2 344.463 1.817 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999537821 707038763 /nfs/dbraw/zinc/03/87/63/707038763.db2.gz UVSPNZGOMWXWEM-IAGOWNOFSA-N 2 2 339.443 1.621 20 0 EDADLP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000999688499 707242706 /nfs/dbraw/zinc/24/27/06/707242706.db2.gz NNCTYCAHKKQRDB-UHFFFAOYSA-N 2 2 348.476 1.156 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999722254 707262059 /nfs/dbraw/zinc/26/20/59/707262059.db2.gz APOSOEBYBRDWLZ-OAHLLOKOSA-N 2 2 343.431 1.838 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033190500 707391989 /nfs/dbraw/zinc/39/19/89/707391989.db2.gz AGUDCDQQOVLOFL-OAHLLOKOSA-N 2 2 338.415 1.643 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033190500 707391993 /nfs/dbraw/zinc/39/19/93/707391993.db2.gz AGUDCDQQOVLOFL-OAHLLOKOSA-N 2 2 338.415 1.643 20 0 EDADLP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033295314 707421942 /nfs/dbraw/zinc/42/19/42/707421942.db2.gz KMCFKMWHHXMTJK-WMZOPIPTSA-N 2 2 345.491 1.327 20 0 EDADLP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033295314 707421945 /nfs/dbraw/zinc/42/19/45/707421945.db2.gz KMCFKMWHHXMTJK-WMZOPIPTSA-N 2 2 345.491 1.327 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803753 707467487 /nfs/dbraw/zinc/46/74/87/707467487.db2.gz UGVIBWSJEOYOTO-VVLHAWIVSA-N 2 2 334.464 1.385 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803753 707467491 /nfs/dbraw/zinc/46/74/91/707467491.db2.gz UGVIBWSJEOYOTO-VVLHAWIVSA-N 2 2 334.464 1.385 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000999837147 707473392 /nfs/dbraw/zinc/47/33/92/707473392.db2.gz QANSXDMEYZVQSU-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP CN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C1CC([NH2+]CCC2CC2)C1 ZINC000999871995 707515702 /nfs/dbraw/zinc/51/57/02/707515702.db2.gz RRLCGWTVYVLDDH-ABHNRTSZSA-N 2 2 335.492 1.476 20 0 EDADLP Cc1noc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)n1 ZINC001004899452 707584675 /nfs/dbraw/zinc/58/46/75/707584675.db2.gz WXOMEEORWSBFDZ-DZGCQCFKSA-N 2 2 346.435 1.442 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206655 707636388 /nfs/dbraw/zinc/63/63/88/707636388.db2.gz HXYXNGVYEXIXLS-GJZGRUSLSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206655 707636391 /nfs/dbraw/zinc/63/63/91/707636391.db2.gz HXYXNGVYEXIXLS-GJZGRUSLSA-N 2 2 343.431 1.475 20 0 EDADLP C[C@H]([NH2+]CC1CCOCC1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004942848 707689884 /nfs/dbraw/zinc/68/98/84/707689884.db2.gz BGHUHDFXAOPGCA-WMLDXEAASA-N 2 2 334.464 1.738 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921690526 707728004 /nfs/dbraw/zinc/72/80/04/707728004.db2.gz OJSLKMQBBUPEIR-GFCCVEGCSA-N 2 2 339.871 1.618 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921690526 707728008 /nfs/dbraw/zinc/72/80/08/707728008.db2.gz OJSLKMQBBUPEIR-GFCCVEGCSA-N 2 2 339.871 1.618 20 0 EDADLP Cc1ncoc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004950527 707728881 /nfs/dbraw/zinc/72/88/81/707728881.db2.gz BYCHROKPNUVLEP-DOMZBBRYSA-N 2 2 331.420 1.808 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(F)c3)C2)C1 ZINC001033418856 707804232 /nfs/dbraw/zinc/80/42/32/707804232.db2.gz DYGMUJARIIRONE-WMLDXEAASA-N 2 2 334.439 1.595 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(F)c3)C2)C1 ZINC001033418856 707804237 /nfs/dbraw/zinc/80/42/37/707804237.db2.gz DYGMUJARIIRONE-WMLDXEAASA-N 2 2 334.439 1.595 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)C1 ZINC001033418856 707804241 /nfs/dbraw/zinc/80/42/41/707804241.db2.gz DYGMUJARIIRONE-WMLDXEAASA-N 2 2 334.439 1.595 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)C1 ZINC001033418856 707804245 /nfs/dbraw/zinc/80/42/45/707804245.db2.gz DYGMUJARIIRONE-WMLDXEAASA-N 2 2 334.439 1.595 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004991227 707852931 /nfs/dbraw/zinc/85/29/31/707852931.db2.gz JXNAOPKXIIOVGD-ZFWWWQNUSA-N 2 2 335.452 1.333 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453381 707898010 /nfs/dbraw/zinc/89/80/10/707898010.db2.gz VKWDJGLNTGMNQG-AWEZNQCLSA-N 2 2 333.461 1.758 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453381 707898011 /nfs/dbraw/zinc/89/80/11/707898011.db2.gz VKWDJGLNTGMNQG-AWEZNQCLSA-N 2 2 333.461 1.758 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC001033458187 707908663 /nfs/dbraw/zinc/90/86/63/707908663.db2.gz OKNYSZLUIHZWRI-MRXNPFEDSA-N 2 2 346.406 1.703 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC001033458187 707908664 /nfs/dbraw/zinc/90/86/64/707908664.db2.gz OKNYSZLUIHZWRI-MRXNPFEDSA-N 2 2 346.406 1.703 20 0 EDADLP C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005007330 707915215 /nfs/dbraw/zinc/91/52/15/707915215.db2.gz COVJBQOUURPAAJ-RDJZCZTQSA-N 2 2 334.464 1.669 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(F)cn1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005011657 707930072 /nfs/dbraw/zinc/93/00/72/707930072.db2.gz UDIVXVOELUWSON-RHSMWYFYSA-N 2 2 345.422 1.977 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033470755 707932560 /nfs/dbraw/zinc/93/25/60/707932560.db2.gz AQNJDZDOCSQANX-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033470755 707932562 /nfs/dbraw/zinc/93/25/62/707932562.db2.gz AQNJDZDOCSQANX-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)no1 ZINC001033472499 707960485 /nfs/dbraw/zinc/96/04/85/707960485.db2.gz WTYZGIPXLQWUMK-QGZVFWFLSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)no1 ZINC001033472499 707960489 /nfs/dbraw/zinc/96/04/89/707960489.db2.gz WTYZGIPXLQWUMK-QGZVFWFLSA-N 2 2 334.464 1.748 20 0 EDADLP O=c1[nH]c2cccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)c2o1 ZINC000921747054 707967922 /nfs/dbraw/zinc/96/79/22/707967922.db2.gz LLFGXNHZDCPHQB-OAHLLOKOSA-N 2 2 346.431 1.030 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)cc[nH+]1 ZINC001060949232 708021178 /nfs/dbraw/zinc/02/11/78/708021178.db2.gz NFAXRWQAMSVUEF-YJBOKZPZSA-N 2 2 343.475 1.920 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005184554 708111186 /nfs/dbraw/zinc/11/11/86/708111186.db2.gz NXANWXWIFPOVJD-GDBMZVCRSA-N 2 2 331.464 1.555 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001005184554 708111187 /nfs/dbraw/zinc/11/11/87/708111187.db2.gz NXANWXWIFPOVJD-GDBMZVCRSA-N 2 2 331.464 1.555 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001005182120 708127850 /nfs/dbraw/zinc/12/78/50/708127850.db2.gz CTSYXKPCSRRXJT-DOMZBBRYSA-N 2 2 335.452 1.456 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001005182120 708127853 /nfs/dbraw/zinc/12/78/53/708127853.db2.gz CTSYXKPCSRRXJT-DOMZBBRYSA-N 2 2 335.452 1.456 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033625109 708364355 /nfs/dbraw/zinc/36/43/55/708364355.db2.gz RGUGHUJDJGTNRC-INIZCTEOSA-N 2 2 342.443 1.872 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033625109 708364359 /nfs/dbraw/zinc/36/43/59/708364359.db2.gz RGUGHUJDJGTNRC-INIZCTEOSA-N 2 2 342.443 1.872 20 0 EDADLP CCCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)o1 ZINC001033700712 708526205 /nfs/dbraw/zinc/52/62/05/708526205.db2.gz AAXWQBIVZOWWND-OAHLLOKOSA-N 2 2 345.447 1.865 20 0 EDADLP CCCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)o1 ZINC001033700712 708526206 /nfs/dbraw/zinc/52/62/06/708526206.db2.gz AAXWQBIVZOWWND-OAHLLOKOSA-N 2 2 345.447 1.865 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033788410 708698589 /nfs/dbraw/zinc/69/85/89/708698589.db2.gz GZTVODDOXAMTQH-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033788410 708698590 /nfs/dbraw/zinc/69/85/90/708698590.db2.gz GZTVODDOXAMTQH-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033788410 708698591 /nfs/dbraw/zinc/69/85/91/708698591.db2.gz GZTVODDOXAMTQH-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001033788410 708698592 /nfs/dbraw/zinc/69/85/92/708698592.db2.gz GZTVODDOXAMTQH-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CN(C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)C1CC[NH+](Cc2ccon2)CC1 ZINC001005392121 708865570 /nfs/dbraw/zinc/86/55/70/708865570.db2.gz WUMQQEYXJYQCDL-MAUKXSAKSA-N 2 2 346.475 1.972 20 0 EDADLP CN(C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C1CC[NH+](Cc2ccon2)CC1 ZINC001005392121 708865572 /nfs/dbraw/zinc/86/55/72/708865572.db2.gz WUMQQEYXJYQCDL-MAUKXSAKSA-N 2 2 346.475 1.972 20 0 EDADLP CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CC[NH+](Cc2ccon2)CC1 ZINC001005392122 708865821 /nfs/dbraw/zinc/86/58/21/708865821.db2.gz WUMQQEYXJYQCDL-QAPCUYQASA-N 2 2 346.475 1.972 20 0 EDADLP CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1CC[NH+](Cc2ccon2)CC1 ZINC001005392122 708865825 /nfs/dbraw/zinc/86/58/25/708865825.db2.gz WUMQQEYXJYQCDL-QAPCUYQASA-N 2 2 346.475 1.972 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)C1CC[NH+](CCO)CC1 ZINC001005409294 708918919 /nfs/dbraw/zinc/91/89/19/708918919.db2.gz IKGVNJGGCCOBKE-NVXWUHKLSA-N 2 2 346.475 1.069 20 0 EDADLP COc1nscc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002472507 709005965 /nfs/dbraw/zinc/00/59/65/709005965.db2.gz BCXDBNGLZHJWAP-AWEZNQCLSA-N 2 2 338.477 1.327 20 0 EDADLP COc1nscc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002472507 709005968 /nfs/dbraw/zinc/00/59/68/709005968.db2.gz BCXDBNGLZHJWAP-AWEZNQCLSA-N 2 2 338.477 1.327 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001005475949 709112567 /nfs/dbraw/zinc/11/25/67/709112567.db2.gz LOPDIYOWVYIPRL-MRXNPFEDSA-N 2 2 349.479 1.675 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001005475949 709112570 /nfs/dbraw/zinc/11/25/70/709112570.db2.gz LOPDIYOWVYIPRL-MRXNPFEDSA-N 2 2 349.479 1.675 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)nn1C ZINC001034139022 709389395 /nfs/dbraw/zinc/38/93/95/709389395.db2.gz QSKAOYVXQHJRJR-WBVHZDCISA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)nn1C ZINC001034139022 709389396 /nfs/dbraw/zinc/38/93/96/709389396.db2.gz QSKAOYVXQHJRJR-WBVHZDCISA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1C ZINC001034139022 709389401 /nfs/dbraw/zinc/38/94/01/709389401.db2.gz QSKAOYVXQHJRJR-WBVHZDCISA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1C ZINC001034139022 709389402 /nfs/dbraw/zinc/38/94/02/709389402.db2.gz QSKAOYVXQHJRJR-WBVHZDCISA-N 2 2 333.480 1.293 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC001002792018 709400101 /nfs/dbraw/zinc/40/01/01/709400101.db2.gz MFQLFEHXLRISJT-CJNGLKHVSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC001002792018 709400105 /nfs/dbraw/zinc/40/01/05/709400105.db2.gz MFQLFEHXLRISJT-CJNGLKHVSA-N 2 2 349.479 1.892 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)n1 ZINC001002803294 709405865 /nfs/dbraw/zinc/40/58/65/709405865.db2.gz UUUUQEYOGFINLH-QAPCUYQASA-N 2 2 345.491 1.375 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001002803294 709405866 /nfs/dbraw/zinc/40/58/66/709405866.db2.gz UUUUQEYOGFINLH-QAPCUYQASA-N 2 2 345.491 1.375 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCC3(CCCCCC3)O2)CC1 ZINC000929259652 709407902 /nfs/dbraw/zinc/40/79/02/709407902.db2.gz IXUREODEHPXQLH-QGZVFWFLSA-N 2 2 337.508 1.964 20 0 EDADLP Cc1ccncc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148871 709420145 /nfs/dbraw/zinc/42/01/45/709420145.db2.gz PPXYXUHMDHYZCM-MSOLQXFVSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ccncc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148871 709420146 /nfs/dbraw/zinc/42/01/46/709420146.db2.gz PPXYXUHMDHYZCM-MSOLQXFVSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ccncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148871 709420147 /nfs/dbraw/zinc/42/01/47/709420147.db2.gz PPXYXUHMDHYZCM-MSOLQXFVSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148871 709420148 /nfs/dbraw/zinc/42/01/48/709420148.db2.gz PPXYXUHMDHYZCM-MSOLQXFVSA-N 2 2 346.475 1.191 20 0 EDADLP CCc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061175419 709473155 /nfs/dbraw/zinc/47/31/55/709473155.db2.gz LMLJHDOMVZFNFQ-IRXDYDNUSA-N 2 2 345.491 1.869 20 0 EDADLP CCc1cc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061175419 709473157 /nfs/dbraw/zinc/47/31/57/709473157.db2.gz LMLJHDOMVZFNFQ-IRXDYDNUSA-N 2 2 345.491 1.869 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218455 709575499 /nfs/dbraw/zinc/57/54/99/709575499.db2.gz GLTNEOZXCIHYEI-HUUCEWRRSA-N 2 2 334.464 1.113 20 0 EDADLP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218455 709575503 /nfs/dbraw/zinc/57/55/03/709575503.db2.gz GLTNEOZXCIHYEI-HUUCEWRRSA-N 2 2 334.464 1.113 20 0 EDADLP CC1([NH+]2CCC2)CCC(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000922078435 709594674 /nfs/dbraw/zinc/59/46/74/709594674.db2.gz TYYUCFYUAQDWQR-SWKXRBFHSA-N 2 2 331.464 1.904 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC001034272126 709678723 /nfs/dbraw/zinc/67/87/23/709678723.db2.gz RVQQQNMIGYFOPR-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001034272126 709678725 /nfs/dbraw/zinc/67/87/25/709678725.db2.gz RVQQQNMIGYFOPR-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001034272126 709678727 /nfs/dbraw/zinc/67/87/27/709678727.db2.gz RVQQQNMIGYFOPR-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001034272126 709678728 /nfs/dbraw/zinc/67/87/28/709678728.db2.gz RVQQQNMIGYFOPR-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)C2 ZINC001034278902 709694803 /nfs/dbraw/zinc/69/48/03/709694803.db2.gz MZWYKWLFCRUNEM-GJZGRUSLSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)C2 ZINC001034278902 709694805 /nfs/dbraw/zinc/69/48/05/709694805.db2.gz MZWYKWLFCRUNEM-GJZGRUSLSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)CC2 ZINC001034278902 709694807 /nfs/dbraw/zinc/69/48/07/709694807.db2.gz MZWYKWLFCRUNEM-GJZGRUSLSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)CC2 ZINC001034278902 709694809 /nfs/dbraw/zinc/69/48/09/709694809.db2.gz MZWYKWLFCRUNEM-GJZGRUSLSA-N 2 2 334.464 1.176 20 0 EDADLP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290129 709714599 /nfs/dbraw/zinc/71/45/99/709714599.db2.gz FCJLNJHKEXTFNM-GDBMZVCRSA-N 2 2 343.431 1.183 20 0 EDADLP CC[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290129 709714604 /nfs/dbraw/zinc/71/46/04/709714604.db2.gz FCJLNJHKEXTFNM-GDBMZVCRSA-N 2 2 343.431 1.183 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](CCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001034304243 709728694 /nfs/dbraw/zinc/72/86/94/709728694.db2.gz QDGKBORXXSONFC-CQSZACIVSA-N 2 2 331.395 1.821 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](CCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001034304243 709728697 /nfs/dbraw/zinc/72/86/97/709728697.db2.gz QDGKBORXXSONFC-CQSZACIVSA-N 2 2 331.395 1.821 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCCO2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001003070469 709935972 /nfs/dbraw/zinc/93/59/72/709935972.db2.gz LQVPCMDLBMBDRR-BZUAXINKSA-N 2 2 332.448 1.663 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCCO2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001003070469 709935974 /nfs/dbraw/zinc/93/59/74/709935974.db2.gz LQVPCMDLBMBDRR-BZUAXINKSA-N 2 2 332.448 1.663 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034401001 709944827 /nfs/dbraw/zinc/94/48/27/709944827.db2.gz ZHXZVDDAVLCSRW-HZPDHXFCSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034401001 709944829 /nfs/dbraw/zinc/94/48/29/709944829.db2.gz ZHXZVDDAVLCSRW-HZPDHXFCSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034401001 709944832 /nfs/dbraw/zinc/94/48/32/709944832.db2.gz ZHXZVDDAVLCSRW-HZPDHXFCSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034401001 709944834 /nfs/dbraw/zinc/94/48/34/709944834.db2.gz ZHXZVDDAVLCSRW-HZPDHXFCSA-N 2 2 334.464 1.938 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426618 709962967 /nfs/dbraw/zinc/96/29/67/709962967.db2.gz NMLZJPBDSLLOKP-GJZGRUSLSA-N 2 2 349.479 1.241 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426618 709962969 /nfs/dbraw/zinc/96/29/69/709962969.db2.gz NMLZJPBDSLLOKP-GJZGRUSLSA-N 2 2 349.479 1.241 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001034460888 710026715 /nfs/dbraw/zinc/02/67/15/710026715.db2.gz HPANBYSKMRCQOX-QGZVFWFLSA-N 2 2 347.507 1.623 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001034460888 710026720 /nfs/dbraw/zinc/02/67/20/710026720.db2.gz HPANBYSKMRCQOX-QGZVFWFLSA-N 2 2 347.507 1.623 20 0 EDADLP COc1cc[nH+]cc1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001003136992 710030094 /nfs/dbraw/zinc/03/00/94/710030094.db2.gz HEFRVODNLVKCKK-CQSZACIVSA-N 2 2 333.432 1.250 20 0 EDADLP O=C(NC1CC[NH+](CCOC2CCC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003191954 710092285 /nfs/dbraw/zinc/09/22/85/710092285.db2.gz BARKJBHDAYVZIV-OAHLLOKOSA-N 2 2 346.475 1.595 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034489774 710107826 /nfs/dbraw/zinc/10/78/26/710107826.db2.gz DLMQQGQGXYZHQG-HUUCEWRRSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034489774 710107829 /nfs/dbraw/zinc/10/78/29/710107829.db2.gz DLMQQGQGXYZHQG-HUUCEWRRSA-N 2 2 343.431 1.232 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034524463 710172990 /nfs/dbraw/zinc/17/29/90/710172990.db2.gz GCOVLYQTLLHGIN-HOTGVXAUSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034524463 710172992 /nfs/dbraw/zinc/17/29/92/710172992.db2.gz GCOVLYQTLLHGIN-HOTGVXAUSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034524463 710172994 /nfs/dbraw/zinc/17/29/94/710172994.db2.gz GCOVLYQTLLHGIN-HOTGVXAUSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034524463 710172997 /nfs/dbraw/zinc/17/29/97/710172997.db2.gz GCOVLYQTLLHGIN-HOTGVXAUSA-N 2 2 333.480 1.325 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034538588 710211717 /nfs/dbraw/zinc/21/17/17/710211717.db2.gz QTBXQMYRTSJDMP-WMZOPIPTSA-N 2 2 347.507 1.765 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034538588 710211719 /nfs/dbraw/zinc/21/17/19/710211719.db2.gz QTBXQMYRTSJDMP-WMZOPIPTSA-N 2 2 347.507 1.765 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034538588 710211721 /nfs/dbraw/zinc/21/17/21/710211721.db2.gz QTBXQMYRTSJDMP-WMZOPIPTSA-N 2 2 347.507 1.765 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034538588 710211724 /nfs/dbraw/zinc/21/17/24/710211724.db2.gz QTBXQMYRTSJDMP-WMZOPIPTSA-N 2 2 347.507 1.765 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547630 710222657 /nfs/dbraw/zinc/22/26/57/710222657.db2.gz WLXPBALSSAJTGL-LSDHHAIUSA-N 2 2 328.420 1.405 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547630 710222658 /nfs/dbraw/zinc/22/26/58/710222658.db2.gz WLXPBALSSAJTGL-LSDHHAIUSA-N 2 2 328.420 1.405 20 0 EDADLP C[C@H](c1nncn1C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003492797 710375434 /nfs/dbraw/zinc/37/54/34/710375434.db2.gz OPHACKQMMARBGS-ZNMIVQPWSA-N 2 2 348.495 1.187 20 0 EDADLP C[C@H](c1nncn1C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003492797 710375437 /nfs/dbraw/zinc/37/54/37/710375437.db2.gz OPHACKQMMARBGS-ZNMIVQPWSA-N 2 2 348.495 1.187 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001003624888 710454290 /nfs/dbraw/zinc/45/42/90/710454290.db2.gz WLRHZHQNSFVHBH-OAHLLOKOSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001003624888 710454292 /nfs/dbraw/zinc/45/42/92/710454292.db2.gz WLRHZHQNSFVHBH-OAHLLOKOSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC001003631128 710460428 /nfs/dbraw/zinc/46/04/28/710460428.db2.gz RJXGQQYMJQALHY-WBMJQRKESA-N 2 2 336.505 1.730 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cs1 ZINC001003631128 710460429 /nfs/dbraw/zinc/46/04/29/710460429.db2.gz RJXGQQYMJQALHY-WBMJQRKESA-N 2 2 336.505 1.730 20 0 EDADLP CO[C@@H](C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1)C1CCCC1 ZINC001003704991 710503344 /nfs/dbraw/zinc/50/33/44/710503344.db2.gz GEUGGEIAVMEILB-KRWDZBQOSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](Cc2nccn2C)CC1)[NH+]1CCCCCC1 ZINC001003735334 710517360 /nfs/dbraw/zinc/51/73/60/710517360.db2.gz IMJPOGZEUULNRY-MRXNPFEDSA-N 2 2 347.507 1.765 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001034675402 710627840 /nfs/dbraw/zinc/62/78/40/710627840.db2.gz SEAAWAIXUNKPGB-QAETUUGQSA-N 2 2 346.475 1.499 20 0 EDADLP C[C@H](c1nncn1C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005592000 710649941 /nfs/dbraw/zinc/64/99/41/710649941.db2.gz KRGSFLIZEYNYRO-GDBMZVCRSA-N 2 2 348.495 1.283 20 0 EDADLP C[C@H](c1nncn1C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001005592000 710649944 /nfs/dbraw/zinc/64/99/44/710649944.db2.gz KRGSFLIZEYNYRO-GDBMZVCRSA-N 2 2 348.495 1.283 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)nn1C ZINC001003841220 710674748 /nfs/dbraw/zinc/67/47/48/710674748.db2.gz KQFXYCSTOSAZLS-UHFFFAOYSA-N 2 2 347.507 1.541 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005622240 710749966 /nfs/dbraw/zinc/74/99/66/710749966.db2.gz KOEPGGHVBANXND-UKRRQHHQSA-N 2 2 348.491 1.781 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001005622240 710749970 /nfs/dbraw/zinc/74/99/70/710749970.db2.gz KOEPGGHVBANXND-UKRRQHHQSA-N 2 2 348.491 1.781 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC001034776679 711054174 /nfs/dbraw/zinc/05/41/74/711054174.db2.gz XHWSVZDBYFSSCA-HDJSIYSDSA-N 2 2 331.420 1.476 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975109 711063884 /nfs/dbraw/zinc/06/38/84/711063884.db2.gz GWKUSNSEIYRUNF-SJLPKXTDSA-N 2 2 347.459 1.059 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975109 711063888 /nfs/dbraw/zinc/06/38/88/711063888.db2.gz GWKUSNSEIYRUNF-SJLPKXTDSA-N 2 2 347.459 1.059 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001032975109 711063893 /nfs/dbraw/zinc/06/38/93/711063893.db2.gz GWKUSNSEIYRUNF-SJLPKXTDSA-N 2 2 347.459 1.059 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001032975109 711063898 /nfs/dbraw/zinc/06/38/98/711063898.db2.gz GWKUSNSEIYRUNF-SJLPKXTDSA-N 2 2 347.459 1.059 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005713650 711106674 /nfs/dbraw/zinc/10/66/74/711106674.db2.gz RWLGQAIAXAMJKP-HNNXBMFYSA-N 2 2 342.443 1.907 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)no1 ZINC001034794646 711111647 /nfs/dbraw/zinc/11/16/47/711111647.db2.gz MPKOJQZETGOCSJ-QEJZJMRPSA-N 2 2 335.452 1.552 20 0 EDADLP C[C@@H](c1cnccn1)[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003969871 711118999 /nfs/dbraw/zinc/11/89/99/711118999.db2.gz DIQFUWXLEMVJJA-ZDUSSCGKSA-N 2 2 328.420 1.094 20 0 EDADLP Cc1ncsc1C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003969904 711119162 /nfs/dbraw/zinc/11/91/62/711119162.db2.gz FBGSKWXKKKNRJA-UHFFFAOYSA-N 2 2 333.461 1.508 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001034799773 711138073 /nfs/dbraw/zinc/13/80/73/711138073.db2.gz OGBNIZXXEBTRLN-HDJSIYSDSA-N 2 2 331.420 1.651 20 0 EDADLP c1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n(C2CCC2)n1 ZINC000922339228 711142524 /nfs/dbraw/zinc/14/25/24/711142524.db2.gz YBGNNRXDWHVTLU-QGZVFWFLSA-N 2 2 347.507 1.494 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003977923 711151908 /nfs/dbraw/zinc/15/19/08/711151908.db2.gz ZSZJSFLBAHPROA-CABCVRRESA-N 2 2 331.464 1.460 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003977923 711151911 /nfs/dbraw/zinc/15/19/11/711151911.db2.gz ZSZJSFLBAHPROA-CABCVRRESA-N 2 2 331.464 1.460 20 0 EDADLP Cc1cnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2)o1 ZINC001034812481 711182858 /nfs/dbraw/zinc/18/28/58/711182858.db2.gz KXWNXTBEXQAGIV-KRWDZBQOSA-N 2 2 342.443 1.983 20 0 EDADLP Cc1cnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)o1 ZINC001034812481 711182864 /nfs/dbraw/zinc/18/28/64/711182864.db2.gz KXWNXTBEXQAGIV-KRWDZBQOSA-N 2 2 342.443 1.983 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001034956065 711424803 /nfs/dbraw/zinc/42/48/03/711424803.db2.gz MAJOMHWYBBFMSO-OAHLLOKOSA-N 2 2 345.451 1.043 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)c(C)s1 ZINC001004147225 711558581 /nfs/dbraw/zinc/55/85/81/711558581.db2.gz FZMZVLPGYSPDLQ-UHFFFAOYSA-N 2 2 336.505 1.936 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033127237 711877636 /nfs/dbraw/zinc/87/76/36/711877636.db2.gz SJFDNUUIGYMXFZ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033127237 711877638 /nfs/dbraw/zinc/87/76/38/711877638.db2.gz SJFDNUUIGYMXFZ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033127237 711877639 /nfs/dbraw/zinc/87/76/39/711877639.db2.gz SJFDNUUIGYMXFZ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033127237 711877641 /nfs/dbraw/zinc/87/76/41/711877641.db2.gz SJFDNUUIGYMXFZ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004609042 712061950 /nfs/dbraw/zinc/06/19/50/712061950.db2.gz DIFBWHMXPGDBII-KRWDZBQOSA-N 2 2 334.464 1.048 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004609042 712061953 /nfs/dbraw/zinc/06/19/53/712061953.db2.gz DIFBWHMXPGDBII-KRWDZBQOSA-N 2 2 334.464 1.048 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2nccn2C)C1 ZINC001033149021 712097600 /nfs/dbraw/zinc/09/76/00/712097600.db2.gz GBWVDMARSUJMMK-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2nccn2C)C1 ZINC001033149021 712097602 /nfs/dbraw/zinc/09/76/02/712097602.db2.gz GBWVDMARSUJMMK-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033149021 712097603 /nfs/dbraw/zinc/09/76/03/712097603.db2.gz GBWVDMARSUJMMK-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033149021 712097605 /nfs/dbraw/zinc/09/76/05/712097605.db2.gz GBWVDMARSUJMMK-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000557618804 306230924 /nfs/dbraw/zinc/23/09/24/306230924.db2.gz AFISEMVYOGSLLI-CQSZACIVSA-N 2 2 343.431 1.958 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000052857943 214150437 /nfs/dbraw/zinc/15/04/37/214150437.db2.gz RIQQCTDFMDKYSA-UHFFFAOYSA-N 2 2 344.503 1.277 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)sc2n1 ZINC000173870487 231056253 /nfs/dbraw/zinc/05/62/53/231056253.db2.gz QPXOMRHXCKWIDK-AWEZNQCLSA-N 2 2 347.488 1.767 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)sc2n1 ZINC000173870487 231056255 /nfs/dbraw/zinc/05/62/55/231056255.db2.gz QPXOMRHXCKWIDK-AWEZNQCLSA-N 2 2 347.488 1.767 20 0 EDADLP C[NH+]1CCC(CCNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000558505824 306238762 /nfs/dbraw/zinc/23/87/62/306238762.db2.gz QCHCOXCDVOQZIP-UHFFFAOYSA-N 2 2 346.475 1.376 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000342690864 282257584 /nfs/dbraw/zinc/25/75/84/282257584.db2.gz YUIOKGKOJHYMRZ-FHLIZLRMSA-N 2 2 337.508 1.722 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000342690864 282257585 /nfs/dbraw/zinc/25/75/85/282257585.db2.gz YUIOKGKOJHYMRZ-FHLIZLRMSA-N 2 2 337.508 1.722 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1CCOC1 ZINC000178337003 529837915 /nfs/dbraw/zinc/83/79/15/529837915.db2.gz LTBYYKOYMMYFNU-QGZVFWFLSA-N 2 2 347.459 1.426 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1CCOC1 ZINC000178337003 529837916 /nfs/dbraw/zinc/83/79/16/529837916.db2.gz LTBYYKOYMMYFNU-QGZVFWFLSA-N 2 2 347.459 1.426 20 0 EDADLP CNC(=O)C[NH+]1CCC(N[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000129459478 529862179 /nfs/dbraw/zinc/86/21/79/529862179.db2.gz VECRBVCFPOAEOW-IBGZPJMESA-N 2 2 344.503 1.103 20 0 EDADLP CNC(=O)C[NH+]1CCC(N[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000129459478 529862180 /nfs/dbraw/zinc/86/21/80/529862180.db2.gz VECRBVCFPOAEOW-IBGZPJMESA-N 2 2 344.503 1.103 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCOC1 ZINC000178352819 529870481 /nfs/dbraw/zinc/87/04/81/529870481.db2.gz PAYOVDYDJDANJR-MRXNPFEDSA-N 2 2 332.448 1.089 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCOC1 ZINC000178352819 529870483 /nfs/dbraw/zinc/87/04/83/529870483.db2.gz PAYOVDYDJDANJR-MRXNPFEDSA-N 2 2 332.448 1.089 20 0 EDADLP CN1C(=O)CCc2cc(C[NH+]3CCC([N@H+](C)CCCO)CC3)ccc21 ZINC000186987351 529893490 /nfs/dbraw/zinc/89/34/90/529893490.db2.gz AGBCLNBFDKFEAJ-UHFFFAOYSA-N 2 2 345.487 1.874 20 0 EDADLP CN1C(=O)CCc2cc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)ccc21 ZINC000186987351 529893492 /nfs/dbraw/zinc/89/34/92/529893492.db2.gz AGBCLNBFDKFEAJ-UHFFFAOYSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)ccc2n1C ZINC000559969967 306259947 /nfs/dbraw/zinc/25/99/47/306259947.db2.gz GHEZDECDODQKJH-NSHDSACASA-N 2 2 331.420 1.134 20 0 EDADLP C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000101626494 219148529 /nfs/dbraw/zinc/14/85/29/219148529.db2.gz ACTKWTJDPKYIFF-HZPDHXFCSA-N 2 2 334.464 1.169 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000101654890 219151607 /nfs/dbraw/zinc/15/16/07/219151607.db2.gz MJLPYUQOKPVSFW-OAHLLOKOSA-N 2 2 327.432 1.124 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000101978637 219178104 /nfs/dbraw/zinc/17/81/04/219178104.db2.gz VLLMDDAKBWZSQM-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CC1 ZINC000101978637 219178105 /nfs/dbraw/zinc/17/81/05/219178105.db2.gz VLLMDDAKBWZSQM-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP C[NH+](C)CCCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000560608357 306275781 /nfs/dbraw/zinc/27/57/81/306275781.db2.gz MQDKNUHZGKAUMG-HNNXBMFYSA-N 2 2 339.505 1.970 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000434829203 539562953 /nfs/dbraw/zinc/56/29/53/539562953.db2.gz PIASBQGDQCHKSX-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000434829203 539562957 /nfs/dbraw/zinc/56/29/57/539562957.db2.gz PIASBQGDQCHKSX-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cc[nH]n2)c1 ZINC000066973836 215100250 /nfs/dbraw/zinc/10/02/50/215100250.db2.gz DUGONDPRFBDBSL-UHFFFAOYSA-N 2 2 343.431 1.360 20 0 EDADLP CCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246082720 539598226 /nfs/dbraw/zinc/59/82/26/539598226.db2.gz CBMUZFJQYRGXFC-CVEARBPZSA-N 2 2 331.526 1.605 20 0 EDADLP CCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246082720 539598233 /nfs/dbraw/zinc/59/82/33/539598233.db2.gz CBMUZFJQYRGXFC-CVEARBPZSA-N 2 2 331.526 1.605 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000561202401 306284524 /nfs/dbraw/zinc/28/45/24/306284524.db2.gz AFNCIGFJQYFSSL-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000561202401 306284525 /nfs/dbraw/zinc/28/45/25/306284525.db2.gz AFNCIGFJQYFSSL-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H](CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[NH+]1CCOCC1 ZINC000333936662 539661144 /nfs/dbraw/zinc/66/11/44/539661144.db2.gz KSUWXCSEAMJZAH-GDBMZVCRSA-N 2 2 338.496 1.127 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H]([NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000334031046 539665472 /nfs/dbraw/zinc/66/54/72/539665472.db2.gz LAENQPFSSQVNJB-GVDBMIGSSA-N 2 2 345.491 1.748 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000561302337 306286582 /nfs/dbraw/zinc/28/65/82/306286582.db2.gz XRXUKPMBAGNGPN-HDMKZQKVSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000561302337 306286583 /nfs/dbraw/zinc/28/65/83/306286583.db2.gz XRXUKPMBAGNGPN-HDMKZQKVSA-N 2 2 328.460 1.921 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152387431 539808561 /nfs/dbraw/zinc/80/85/61/539808561.db2.gz JUNOSWKASVEFEU-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152387431 539808564 /nfs/dbraw/zinc/80/85/64/539808564.db2.gz JUNOSWKASVEFEU-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1)C[NH+]1CCCC1 ZINC000562340456 306295936 /nfs/dbraw/zinc/29/59/36/306295936.db2.gz LVCZCBLTUPAAJG-HOCLYGCPSA-N 2 2 342.447 1.086 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[N@H+](C)C1 ZINC000346177927 539849194 /nfs/dbraw/zinc/84/91/94/539849194.db2.gz AMVQEIDVJNXZOH-IRXDYDNUSA-N 2 2 334.464 1.621 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)[N@@H+](C)C1 ZINC000346177927 539849198 /nfs/dbraw/zinc/84/91/98/539849198.db2.gz AMVQEIDVJNXZOH-IRXDYDNUSA-N 2 2 334.464 1.621 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCSC1 ZINC000154924164 539908154 /nfs/dbraw/zinc/90/81/54/539908154.db2.gz UCTHTTKCKXZHBD-QGZVFWFLSA-N 2 2 349.500 1.895 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCSC1 ZINC000154924164 539908159 /nfs/dbraw/zinc/90/81/59/539908159.db2.gz UCTHTTKCKXZHBD-QGZVFWFLSA-N 2 2 349.500 1.895 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC[C@H]3CCC[NH2+]3)c[nH+]2)CCO1 ZINC000562789296 306308986 /nfs/dbraw/zinc/30/89/86/306308986.db2.gz GRTOKIDWUHMUJC-GDBMZVCRSA-N 2 2 347.463 1.248 20 0 EDADLP C[NH2+]CCCC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000563160599 306320911 /nfs/dbraw/zinc/32/09/11/306320911.db2.gz OATFUNRFXUOQHM-UHFFFAOYSA-N 2 2 332.448 1.289 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000412849646 304041438 /nfs/dbraw/zinc/04/14/38/304041438.db2.gz UCJFEVUIVPBFSH-RDJZCZTQSA-N 2 2 348.466 1.547 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000412849646 304041441 /nfs/dbraw/zinc/04/14/41/304041441.db2.gz UCJFEVUIVPBFSH-RDJZCZTQSA-N 2 2 348.466 1.547 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000183394415 235046132 /nfs/dbraw/zinc/04/61/32/235046132.db2.gz SRGVNEVRMYYVPW-HNNXBMFYSA-N 2 2 340.512 1.658 20 0 EDADLP COC1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000163734833 540056000 /nfs/dbraw/zinc/05/60/00/540056000.db2.gz ANBKULDCXQIUHJ-XLIONFOSSA-N 2 2 346.519 1.992 20 0 EDADLP COC1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000163734833 540056004 /nfs/dbraw/zinc/05/60/04/540056004.db2.gz ANBKULDCXQIUHJ-XLIONFOSSA-N 2 2 346.519 1.992 20 0 EDADLP c1cnc(N2CC[NH+](C3CC3)CC2)c(N2CC[NH+](C3CC3)CC2)n1 ZINC000166093833 540074920 /nfs/dbraw/zinc/07/49/20/540074920.db2.gz PHMQYPFUDJHSQM-UHFFFAOYSA-N 2 2 328.464 1.045 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccnn1-c1ccccc1 ZINC000281253993 540075446 /nfs/dbraw/zinc/07/54/46/540075446.db2.gz OBRSPPJSKLINPF-MAUKXSAKSA-N 2 2 341.459 1.863 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccnn1-c1ccccc1 ZINC000281253993 540075451 /nfs/dbraw/zinc/07/54/51/540075451.db2.gz OBRSPPJSKLINPF-MAUKXSAKSA-N 2 2 341.459 1.863 20 0 EDADLP COc1cccc2c(NCCC[N@@H+]3CCNC(=O)C3)c(C)c[nH+]c12 ZINC000278268406 540066143 /nfs/dbraw/zinc/06/61/43/540066143.db2.gz AJZYKVANZZWZBE-UHFFFAOYSA-N 2 2 328.416 1.786 20 0 EDADLP COc1cccc2c(NCCC[N@H+]3CCNC(=O)C3)c(C)c[nH+]c12 ZINC000278268406 540066147 /nfs/dbraw/zinc/06/61/47/540066147.db2.gz AJZYKVANZZWZBE-UHFFFAOYSA-N 2 2 328.416 1.786 20 0 EDADLP C[C@H](CNC(=O)NCc1c[nH+]cn1C)[N@@H+]1CCc2sccc2C1 ZINC000290731090 540089618 /nfs/dbraw/zinc/08/96/18/540089618.db2.gz QNMMRLIEELTRDR-GFCCVEGCSA-N 2 2 333.461 1.728 20 0 EDADLP C[C@H](CNC(=O)NCc1c[nH+]cn1C)[N@H+]1CCc2sccc2C1 ZINC000290731090 540089619 /nfs/dbraw/zinc/08/96/19/540089619.db2.gz QNMMRLIEELTRDR-GFCCVEGCSA-N 2 2 333.461 1.728 20 0 EDADLP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3c[nH+]cn3C)cc2)CC1 ZINC000291366622 540091359 /nfs/dbraw/zinc/09/13/59/540091359.db2.gz YWQVYPOCGQSBSS-UHFFFAOYSA-N 2 2 341.459 1.881 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000192887982 540181221 /nfs/dbraw/zinc/18/12/21/540181221.db2.gz HWYZWRVTTREFLH-UHFFFAOYSA-N 2 2 328.416 1.824 20 0 EDADLP CCC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCOCC1 ZINC000340251029 535287836 /nfs/dbraw/zinc/28/78/36/535287836.db2.gz LDUSTIWHPZIQFY-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP Cn1cc(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000050797303 138132774 /nfs/dbraw/zinc/13/27/74/138132774.db2.gz QQXAHWFCPHQTSL-UHFFFAOYSA-N 2 2 333.480 1.028 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000082992027 138268581 /nfs/dbraw/zinc/26/85/81/138268581.db2.gz PNERKQSBYUDMGP-SFHVURJKSA-N 2 2 331.460 1.613 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000563560742 306339087 /nfs/dbraw/zinc/33/90/87/306339087.db2.gz XWHGAQDVZJRYCA-DLBZAZTESA-N 2 2 332.448 1.111 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000078505179 138257843 /nfs/dbraw/zinc/25/78/43/138257843.db2.gz YUEZBXOPGHDRLC-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000081521907 138266774 /nfs/dbraw/zinc/26/67/74/138266774.db2.gz YLIUFATUHHVRKD-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP CCOC[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000081521907 138266775 /nfs/dbraw/zinc/26/67/75/138266775.db2.gz YLIUFATUHHVRKD-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000093176770 138292286 /nfs/dbraw/zinc/29/22/86/138292286.db2.gz UBMRILFPVAMSQG-GOSISDBHSA-N 2 2 331.460 1.299 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000093176770 138292287 /nfs/dbraw/zinc/29/22/87/138292287.db2.gz UBMRILFPVAMSQG-GOSISDBHSA-N 2 2 331.460 1.299 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000125040324 138331578 /nfs/dbraw/zinc/33/15/78/138331578.db2.gz XSTITQYVCGOBGI-GJZGRUSLSA-N 2 2 337.468 1.460 20 0 EDADLP C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1n1cc[nH+]c1 ZINC000130939397 138349885 /nfs/dbraw/zinc/34/98/85/138349885.db2.gz STJOTWUREWBWIH-CABCVRRESA-N 2 2 345.451 1.756 20 0 EDADLP C[C@@H](CNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)C[NH+]1CCCC1 ZINC000364709530 295947907 /nfs/dbraw/zinc/94/79/07/295947907.db2.gz WDZNBIUVWIEFST-HOTGVXAUSA-N 2 2 333.480 1.819 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000186969037 236082036 /nfs/dbraw/zinc/08/20/36/236082036.db2.gz IAZWDKKXWKEBLQ-OAHLLOKOSA-N 2 2 342.443 1.790 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000186969037 236082039 /nfs/dbraw/zinc/08/20/39/236082039.db2.gz IAZWDKKXWKEBLQ-OAHLLOKOSA-N 2 2 342.443 1.790 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@H](C[NH3+])C1 ZINC000563944590 306352870 /nfs/dbraw/zinc/35/28/70/306352870.db2.gz PEPOLHLOSWXAAD-CYBMUJFWSA-N 2 2 329.404 1.812 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@H](C[NH3+])C1 ZINC000563944590 306352871 /nfs/dbraw/zinc/35/28/71/306352871.db2.gz PEPOLHLOSWXAAD-CYBMUJFWSA-N 2 2 329.404 1.812 20 0 EDADLP CC(C)c1[nH+]c(CNCCC[N@@H+]2CCC[C@@H]2C(N)=O)c2ccccn21 ZINC000563965015 306353631 /nfs/dbraw/zinc/35/36/31/306353631.db2.gz RXBXSAOLQPVQOD-QGZVFWFLSA-N 2 2 343.475 1.887 20 0 EDADLP CCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000343394025 283345692 /nfs/dbraw/zinc/34/56/92/283345692.db2.gz FYKWXNSJNAUPOH-ULQDDVLXSA-N 2 2 325.497 1.674 20 0 EDADLP CCC[NH2+]CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000417762467 283388156 /nfs/dbraw/zinc/38/81/56/283388156.db2.gz ITIGHPGOEYNVQB-UHFFFAOYSA-N 3 2 339.528 1.236 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CC3CCCCC3)CC2)cn1 ZINC000564726800 306364075 /nfs/dbraw/zinc/36/40/75/306364075.db2.gz QCHILMZDDCZCIU-QGZVFWFLSA-N 2 2 333.480 1.362 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564986790 306372322 /nfs/dbraw/zinc/37/23/22/306372322.db2.gz GMWAKRGMLQUEFJ-IBGZPJMESA-N 2 2 345.443 1.512 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564986790 306372323 /nfs/dbraw/zinc/37/23/23/306372323.db2.gz GMWAKRGMLQUEFJ-IBGZPJMESA-N 2 2 345.443 1.512 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000565379448 306382358 /nfs/dbraw/zinc/38/23/58/306382358.db2.gz FODKIKQMYGTKIE-OCCSQVGLSA-N 2 2 329.404 1.262 20 0 EDADLP CN(CCC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1cc[nH+]cc1 ZINC000565402436 306382877 /nfs/dbraw/zinc/38/28/77/306382877.db2.gz NUBKITIOKOTGCP-QGZVFWFLSA-N 2 2 326.400 1.983 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000072860216 216320670 /nfs/dbraw/zinc/32/06/70/216320670.db2.gz BYWCDQSMQCCNKB-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000072860216 216320673 /nfs/dbraw/zinc/32/06/73/216320673.db2.gz BYWCDQSMQCCNKB-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000072860216 216320675 /nfs/dbraw/zinc/32/06/75/216320675.db2.gz BYWCDQSMQCCNKB-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000072860216 216320678 /nfs/dbraw/zinc/32/06/78/216320678.db2.gz BYWCDQSMQCCNKB-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP COC1CC[NH+](C2(CNCc3c[nH+]c(N(C)C)n3C)CCCC2)CC1 ZINC000414338209 304108171 /nfs/dbraw/zinc/10/81/71/304108171.db2.gz LPEKSVLCUMHWPX-UHFFFAOYSA-N 2 2 349.523 1.999 20 0 EDADLP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCCc1cn3ccccc3[nH+]1)C2 ZINC000073570908 216397619 /nfs/dbraw/zinc/39/76/19/216397619.db2.gz XZJIMAQSBAMSDS-JKSUJKDBSA-N 2 2 327.432 1.755 20 0 EDADLP C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCCc1cn3ccccc3[nH+]1)C2 ZINC000073570908 216397621 /nfs/dbraw/zinc/39/76/21/216397621.db2.gz XZJIMAQSBAMSDS-JKSUJKDBSA-N 2 2 327.432 1.755 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1CCOC ZINC000565836121 306393033 /nfs/dbraw/zinc/39/30/33/306393033.db2.gz MQFHGALZKZPPLR-RBUKOAKNSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@H]1CC2(C[N@@H+]1CC1=Nc3ccccc3S(=O)(=O)N1)CC[NH2+]CC2 ZINC000566096304 306399014 /nfs/dbraw/zinc/39/90/14/306399014.db2.gz LNZRHTWABDPIHA-ZDUSSCGKSA-N 2 2 348.472 1.473 20 0 EDADLP C[C@H]1CC2(C[N@H+]1CC1=Nc3ccccc3S(=O)(=O)N1)CC[NH2+]CC2 ZINC000566096304 306399015 /nfs/dbraw/zinc/39/90/15/306399015.db2.gz LNZRHTWABDPIHA-ZDUSSCGKSA-N 2 2 348.472 1.473 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000105293003 296079950 /nfs/dbraw/zinc/07/99/50/296079950.db2.gz AWIYCNPTIRITHF-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000105293003 296079953 /nfs/dbraw/zinc/07/99/53/296079953.db2.gz AWIYCNPTIRITHF-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000156491218 296135066 /nfs/dbraw/zinc/13/50/66/296135066.db2.gz LTHXZWQOWIOIBF-JKSUJKDBSA-N 2 2 332.448 1.159 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000566917802 306433076 /nfs/dbraw/zinc/43/30/76/306433076.db2.gz OSUHXTAVMKABDY-MLGOLLRUSA-N 2 2 340.418 1.107 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)c1nccn1C ZINC000345294888 299414920 /nfs/dbraw/zinc/41/49/20/299414920.db2.gz CSMCBBGOSXASMC-JDFRZJQESA-N 2 2 342.447 1.699 20 0 EDADLP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415098252 304159436 /nfs/dbraw/zinc/15/94/36/304159436.db2.gz VHUGJDPSHOTCHK-GJZGRUSLSA-N 2 2 345.443 1.419 20 0 EDADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415097958 304159702 /nfs/dbraw/zinc/15/97/02/304159702.db2.gz UPNMKWLKYIJBPQ-XJKSGUPXSA-N 2 2 339.867 1.655 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415102906 304160144 /nfs/dbraw/zinc/16/01/44/304160144.db2.gz DZHRZDYEVMXXGO-OAHLLOKOSA-N 2 2 338.452 1.001 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415102906 304160145 /nfs/dbraw/zinc/16/01/45/304160145.db2.gz DZHRZDYEVMXXGO-OAHLLOKOSA-N 2 2 338.452 1.001 20 0 EDADLP [NH3+]CCc1nc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cs1 ZINC000194826966 139000810 /nfs/dbraw/zinc/00/08/10/139000810.db2.gz NSQKHDZZOSUSEO-UHFFFAOYSA-N 2 2 345.472 1.960 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516011 139019081 /nfs/dbraw/zinc/01/90/81/139019081.db2.gz XLPJKZHAKDFLKB-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516011 139019082 /nfs/dbraw/zinc/01/90/82/139019082.db2.gz XLPJKZHAKDFLKB-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000342204859 296181332 /nfs/dbraw/zinc/18/13/32/296181332.db2.gz PTJJAGZCUIRDAB-LSDHHAIUSA-N 2 2 337.468 1.006 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496072245 284348992 /nfs/dbraw/zinc/34/89/92/284348992.db2.gz RGQXZDDOCBXZIM-PMPSAXMXSA-N 2 2 341.496 1.630 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496072245 284348993 /nfs/dbraw/zinc/34/89/93/284348993.db2.gz RGQXZDDOCBXZIM-PMPSAXMXSA-N 2 2 341.496 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496072245 284348994 /nfs/dbraw/zinc/34/89/94/284348994.db2.gz RGQXZDDOCBXZIM-PMPSAXMXSA-N 2 2 341.496 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496072245 284348995 /nfs/dbraw/zinc/34/89/95/284348995.db2.gz RGQXZDDOCBXZIM-PMPSAXMXSA-N 2 2 341.496 1.630 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000237605877 139055449 /nfs/dbraw/zinc/05/54/49/139055449.db2.gz ZRFRIHJGBQNUJL-KRWDZBQOSA-N 2 2 342.443 1.678 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCCCC3)c[nH+]2)C[C@H](C)O1 ZINC000237660147 139057228 /nfs/dbraw/zinc/05/72/28/139057228.db2.gz KEMBZBBBHKXNDY-GJZGRUSLSA-N 2 2 346.475 1.973 20 0 EDADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000238081656 139068495 /nfs/dbraw/zinc/06/84/95/139068495.db2.gz QBALBYXIBKNQLI-SFHVURJKSA-N 2 2 347.459 1.156 20 0 EDADLP CN(C(=O)Cn1cccn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245676104 139082636 /nfs/dbraw/zinc/08/26/36/139082636.db2.gz GBXJOHNUDIFUPT-ZWKOTPCHSA-N 2 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1cccn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245676104 139082637 /nfs/dbraw/zinc/08/26/37/139082637.db2.gz GBXJOHNUDIFUPT-ZWKOTPCHSA-N 2 2 347.507 1.679 20 0 EDADLP CO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245682335 139082968 /nfs/dbraw/zinc/08/29/68/139082968.db2.gz HSDJTDKVVGDYFT-OIISXLGYSA-N 2 2 325.497 1.817 20 0 EDADLP CO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245682335 139082969 /nfs/dbraw/zinc/08/29/69/139082969.db2.gz HSDJTDKVVGDYFT-OIISXLGYSA-N 2 2 325.497 1.817 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3ccc(F)cc3F)C2)CC1 ZINC000245928050 139090187 /nfs/dbraw/zinc/09/01/87/139090187.db2.gz OZJFVVGQEISVRM-MAUKXSAKSA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(F)cc3F)C2)CC1 ZINC000245928050 139090188 /nfs/dbraw/zinc/09/01/88/139090188.db2.gz OZJFVVGQEISVRM-MAUKXSAKSA-N 2 2 339.430 1.710 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000246022631 139092707 /nfs/dbraw/zinc/09/27/07/139092707.db2.gz VDVPIXRMCZDANB-HOTGVXAUSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000246022631 139092708 /nfs/dbraw/zinc/09/27/08/139092708.db2.gz VDVPIXRMCZDANB-HOTGVXAUSA-N 2 2 331.464 1.773 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246227451 139100218 /nfs/dbraw/zinc/10/02/18/139100218.db2.gz FLJFBNBAXWRJTN-FRRDWIJNSA-N 2 2 330.354 1.929 20 0 EDADLP C[C@@H]1CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246227451 139100219 /nfs/dbraw/zinc/10/02/19/139100219.db2.gz FLJFBNBAXWRJTN-FRRDWIJNSA-N 2 2 330.354 1.929 20 0 EDADLP C[NH2+]CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415303342 304189451 /nfs/dbraw/zinc/18/94/51/304189451.db2.gz DZSQVIZTBDEDBZ-UHFFFAOYSA-N 2 2 343.431 1.427 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000265989053 248001840 /nfs/dbraw/zinc/00/18/40/248001840.db2.gz IVTNNBFQEIRBHZ-KRWDZBQOSA-N 2 2 333.432 1.400 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000265989053 248001845 /nfs/dbraw/zinc/00/18/45/248001845.db2.gz IVTNNBFQEIRBHZ-KRWDZBQOSA-N 2 2 333.432 1.400 20 0 EDADLP C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329506 296249191 /nfs/dbraw/zinc/24/91/91/296249191.db2.gz OKZJHPBBKSEOEK-LSDHHAIUSA-N 2 2 348.495 1.927 20 0 EDADLP C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329506 296249192 /nfs/dbraw/zinc/24/91/92/296249192.db2.gz OKZJHPBBKSEOEK-LSDHHAIUSA-N 2 2 348.495 1.927 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000247112292 139136287 /nfs/dbraw/zinc/13/62/87/139136287.db2.gz YLPYAKRWLQYBPX-MJGOQNOKSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000247112292 139136288 /nfs/dbraw/zinc/13/62/88/139136288.db2.gz YLPYAKRWLQYBPX-MJGOQNOKSA-N 2 2 345.487 1.654 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248198031 139159496 /nfs/dbraw/zinc/15/94/96/139159496.db2.gz XSHVGEGODFJRCF-DLBZAZTESA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248198031 139159497 /nfs/dbraw/zinc/15/94/97/139159497.db2.gz XSHVGEGODFJRCF-DLBZAZTESA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248198031 139159498 /nfs/dbraw/zinc/15/94/98/139159498.db2.gz XSHVGEGODFJRCF-DLBZAZTESA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248198031 139159499 /nfs/dbraw/zinc/15/94/99/139159499.db2.gz XSHVGEGODFJRCF-DLBZAZTESA-N 2 2 331.460 1.728 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@]3(C)C(N)=O)c2cc1C ZINC000248552737 139167251 /nfs/dbraw/zinc/16/72/51/139167251.db2.gz AIFPHJBWFMPULB-HNAYVOBHSA-N 2 2 344.459 1.744 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@]3(C)C(N)=O)c2cc1C ZINC000248552737 139167252 /nfs/dbraw/zinc/16/72/52/139167252.db2.gz AIFPHJBWFMPULB-HNAYVOBHSA-N 2 2 344.459 1.744 20 0 EDADLP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000091763851 218061764 /nfs/dbraw/zinc/06/17/64/218061764.db2.gz UDAXTNCADPQMCN-SJORKVTESA-N 2 2 331.464 1.392 20 0 EDADLP COc1ccccc1/C=C/C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000093821185 218253209 /nfs/dbraw/zinc/25/32/09/218253209.db2.gz TWTFRRGPRZPLBW-MOTZXUDYSA-N 2 2 343.471 1.947 20 0 EDADLP COc1ccccc1/C=C/C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000093821185 218253211 /nfs/dbraw/zinc/25/32/11/218253211.db2.gz TWTFRRGPRZPLBW-MOTZXUDYSA-N 2 2 343.471 1.947 20 0 EDADLP C[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCCCNC1=O ZINC000249598276 139196268 /nfs/dbraw/zinc/19/62/68/139196268.db2.gz XKHNJYBCOXFZAS-HKUYNNGSSA-N 2 2 331.460 1.224 20 0 EDADLP C[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCCCNC1=O ZINC000249598276 139196269 /nfs/dbraw/zinc/19/62/69/139196269.db2.gz XKHNJYBCOXFZAS-HKUYNNGSSA-N 2 2 331.460 1.224 20 0 EDADLP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCNC1=O ZINC000249598276 139196270 /nfs/dbraw/zinc/19/62/70/139196270.db2.gz XKHNJYBCOXFZAS-HKUYNNGSSA-N 2 2 331.460 1.224 20 0 EDADLP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCNC1=O ZINC000249598276 139196271 /nfs/dbraw/zinc/19/62/71/139196271.db2.gz XKHNJYBCOXFZAS-HKUYNNGSSA-N 2 2 331.460 1.224 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000261619251 139211670 /nfs/dbraw/zinc/21/16/70/139211670.db2.gz APMZMEBQHNBCMV-FUHWJXTLSA-N 2 2 331.460 1.727 20 0 EDADLP CCCc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261655762 139214876 /nfs/dbraw/zinc/21/48/76/139214876.db2.gz KCQSFDYLNDHNIH-ZIAGYGMSSA-N 2 2 335.452 1.102 20 0 EDADLP CCCc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261655762 139214877 /nfs/dbraw/zinc/21/48/77/139214877.db2.gz KCQSFDYLNDHNIH-ZIAGYGMSSA-N 2 2 335.452 1.102 20 0 EDADLP C[C@@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000261704118 139218987 /nfs/dbraw/zinc/21/89/87/139218987.db2.gz BPTYMDMWKJYEIO-CXAGYDPISA-N 2 2 328.416 1.803 20 0 EDADLP C[C@@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000261704122 139219084 /nfs/dbraw/zinc/21/90/84/139219084.db2.gz BPTYMDMWKJYEIO-DYVFJYSZSA-N 2 2 328.416 1.803 20 0 EDADLP CCOc1cccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)n1 ZINC000261815740 139228473 /nfs/dbraw/zinc/22/84/73/139228473.db2.gz TWJXYMICVDIFEB-UHFFFAOYSA-N 2 2 342.447 1.555 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000262031754 139245251 /nfs/dbraw/zinc/24/52/51/139245251.db2.gz JXTQTSYHUYXYPJ-HRCADAONSA-N 2 2 341.402 1.579 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000262031754 139245252 /nfs/dbraw/zinc/24/52/52/139245252.db2.gz JXTQTSYHUYXYPJ-HRCADAONSA-N 2 2 341.402 1.579 20 0 EDADLP C[NH2+]CCC1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000262132947 139253732 /nfs/dbraw/zinc/25/37/32/139253732.db2.gz XAUUWLZTLWQDCX-UHFFFAOYSA-N 2 2 345.487 1.981 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000416993410 251121247 /nfs/dbraw/zinc/12/12/47/251121247.db2.gz SLPIIKLKKQKKCM-GOEBONIOSA-N 2 2 331.464 1.951 20 0 EDADLP C[C@H](CNC(=O)NCC[NH2+]C1CCCCCC1)[NH+]1CCOCC1 ZINC000417010167 251131438 /nfs/dbraw/zinc/13/14/38/251131438.db2.gz OTXDFGAFSIHRQN-OAHLLOKOSA-N 2 2 326.485 1.319 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417085538 251140718 /nfs/dbraw/zinc/14/07/18/251140718.db2.gz XHYIVNYDUBUGBX-HOTGVXAUSA-N 2 2 331.464 1.915 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC[NH2+]1 ZINC000262382471 139274829 /nfs/dbraw/zinc/27/48/29/139274829.db2.gz OATXLNCULQRWSW-HOTGVXAUSA-N 2 2 341.459 1.367 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)ccc1F ZINC000417653847 251213507 /nfs/dbraw/zinc/21/35/07/251213507.db2.gz BPBYQYLDEHNMGY-QGZVFWFLSA-N 2 2 340.418 1.730 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@H](C[NH3+])C1)c1c(F)cccc1F ZINC000417663433 251218557 /nfs/dbraw/zinc/21/85/57/251218557.db2.gz UVCMOQLPKXXNJP-BXUZGUMPSA-N 2 2 326.391 1.558 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1F ZINC000262471840 139281243 /nfs/dbraw/zinc/28/12/43/139281243.db2.gz WYIDYLSQIZWTTB-HOCLYGCPSA-N 2 2 349.450 1.867 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417813371 251280803 /nfs/dbraw/zinc/28/08/03/251280803.db2.gz GJUORCXIQJBUOL-RDBSUJKOSA-N 2 2 340.493 1.417 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417813371 251280807 /nfs/dbraw/zinc/28/08/07/251280807.db2.gz GJUORCXIQJBUOL-RDBSUJKOSA-N 2 2 340.493 1.417 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000417823395 251284334 /nfs/dbraw/zinc/28/43/34/251284334.db2.gz JUYAHGRWRUVHFM-JSGCOSHPSA-N 2 2 340.493 1.337 20 0 EDADLP CCn1c[nH+]cc1C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000417990824 251318757 /nfs/dbraw/zinc/31/87/57/251318757.db2.gz JTQGKPRDFNOLGC-GOSISDBHSA-N 2 2 342.443 1.463 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418718212 251395820 /nfs/dbraw/zinc/39/58/20/251395820.db2.gz DDEGBQPKPXVFRW-KGLIPLIRSA-N 2 2 332.439 1.747 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418718212 251395822 /nfs/dbraw/zinc/39/58/22/251395822.db2.gz DDEGBQPKPXVFRW-KGLIPLIRSA-N 2 2 332.439 1.747 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000422876291 252008315 /nfs/dbraw/zinc/00/83/15/252008315.db2.gz GAFMAIJYBZJZMZ-MAUKXSAKSA-N 3 2 330.476 1.162 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000422876291 252008319 /nfs/dbraw/zinc/00/83/19/252008319.db2.gz GAFMAIJYBZJZMZ-MAUKXSAKSA-N 2 2 330.476 1.162 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000422840761 251995501 /nfs/dbraw/zinc/99/55/01/251995501.db2.gz CAWAYPVOKHJTTM-IXDOHACOSA-N 2 2 325.497 1.626 20 0 EDADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000423319439 252045917 /nfs/dbraw/zinc/04/59/17/252045917.db2.gz ZXVYYIQUGWGOEY-DOTOQJQBSA-N 2 2 341.459 1.367 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)CC2 ZINC000423485321 252055213 /nfs/dbraw/zinc/05/52/13/252055213.db2.gz ZCKKYOGJIOMIGB-KBPBESRZSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)CC2 ZINC000423485321 252055217 /nfs/dbraw/zinc/05/52/17/252055217.db2.gz ZCKKYOGJIOMIGB-KBPBESRZSA-N 2 2 347.459 1.258 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)CC[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000424047629 252125136 /nfs/dbraw/zinc/12/51/36/252125136.db2.gz OPQLDYQVQCYBHC-AWEZNQCLSA-N 2 2 336.455 1.580 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000424337414 252197826 /nfs/dbraw/zinc/19/78/26/252197826.db2.gz RPUYABIHFJUGAQ-HZPDHXFCSA-N 2 2 334.439 1.334 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000424438885 252232044 /nfs/dbraw/zinc/23/20/44/252232044.db2.gz QWRSYVJSWNSKJC-UHFFFAOYSA-N 2 2 342.447 1.537 20 0 EDADLP c1coc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000112505920 220339773 /nfs/dbraw/zinc/33/97/73/220339773.db2.gz GUWLZZKGWMFTNK-OAHLLOKOSA-N 2 2 343.431 1.665 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000459805720 255003736 /nfs/dbraw/zinc/00/37/36/255003736.db2.gz LZDHLSUWJGXPBI-CABCVRRESA-N 2 2 341.496 1.449 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000459805720 255003737 /nfs/dbraw/zinc/00/37/37/255003737.db2.gz LZDHLSUWJGXPBI-CABCVRRESA-N 2 2 341.496 1.449 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000459800106 255003443 /nfs/dbraw/zinc/00/34/43/255003443.db2.gz YZXUKXOOJFYWAJ-GJZGRUSLSA-N 2 2 337.514 1.582 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000459800106 255003445 /nfs/dbraw/zinc/00/34/45/255003445.db2.gz YZXUKXOOJFYWAJ-GJZGRUSLSA-N 2 2 337.514 1.582 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000487652987 255033830 /nfs/dbraw/zinc/03/38/30/255033830.db2.gz HQDDTTLPCAGQNT-HNNXBMFYSA-N 2 2 349.479 1.084 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000487652987 255033831 /nfs/dbraw/zinc/03/38/31/255033831.db2.gz HQDDTTLPCAGQNT-HNNXBMFYSA-N 2 2 349.479 1.084 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000487812196 255036062 /nfs/dbraw/zinc/03/60/62/255036062.db2.gz OOZQZBUZBYBYFU-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000487812196 255036063 /nfs/dbraw/zinc/03/60/63/255036063.db2.gz OOZQZBUZBYBYFU-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000488602830 255046591 /nfs/dbraw/zinc/04/65/91/255046591.db2.gz YFJMCLQHTWKXTR-KRWDZBQOSA-N 2 2 338.496 1.271 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000488602830 255046592 /nfs/dbraw/zinc/04/65/92/255046592.db2.gz YFJMCLQHTWKXTR-KRWDZBQOSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C[NH+](C)C ZINC000490067629 255077322 /nfs/dbraw/zinc/07/73/22/255077322.db2.gz YIPURTIPNYKKTE-AWEZNQCLSA-N 2 2 336.461 1.407 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[C@H](C[NH3+])C2)[nH+]cc1Br ZINC000415784840 304270205 /nfs/dbraw/zinc/27/02/05/304270205.db2.gz FXDFJQKHMQDEIY-SECBINFHSA-N 2 2 342.241 1.723 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000493819614 255222843 /nfs/dbraw/zinc/22/28/43/255222843.db2.gz URDLTOBQDPOQLB-FYCOFBDGSA-N 2 2 326.400 1.440 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000493819614 255222844 /nfs/dbraw/zinc/22/28/44/255222844.db2.gz URDLTOBQDPOQLB-FYCOFBDGSA-N 2 2 326.400 1.440 20 0 EDADLP CN1CC[NH+](CC2(C)CCN(C(=O)/C=C\c3[nH]cc[nH+]3)CC2)CC1 ZINC000493826052 255223188 /nfs/dbraw/zinc/22/31/88/255223188.db2.gz QSFOAINHVYNSSK-ARJAWSKDSA-N 2 2 331.464 1.299 20 0 EDADLP C[NH+](C)CCCOc1cnccc1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493129976 255192843 /nfs/dbraw/zinc/19/28/43/255192843.db2.gz WCIOPURMGYGFFK-PLNGDYQASA-N 2 2 329.404 1.465 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)/C=C/c3[nH]cc[nH+]3)nc2)C1 ZINC000493250748 255199398 /nfs/dbraw/zinc/19/93/98/255199398.db2.gz IFRIFVIOHACHIO-VBROQKIQSA-N 2 2 326.404 1.597 20 0 EDADLP C[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000494647748 255256410 /nfs/dbraw/zinc/25/64/10/255256410.db2.gz JAZUOSAGRCWPOJ-KRWDZBQOSA-N 3 2 336.524 1.585 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cn[nH]c1 ZINC000494671408 255257242 /nfs/dbraw/zinc/25/72/42/255257242.db2.gz VPMCRKQYBPUWLW-HOTGVXAUSA-N 2 2 341.459 1.966 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496174391 255360961 /nfs/dbraw/zinc/36/09/61/255360961.db2.gz WRQGRJJAOIEZIC-ZNMIVQPWSA-N 2 2 329.485 1.677 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496174391 255360962 /nfs/dbraw/zinc/36/09/62/255360962.db2.gz WRQGRJJAOIEZIC-ZNMIVQPWSA-N 2 2 329.485 1.677 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496174391 255360963 /nfs/dbraw/zinc/36/09/63/255360963.db2.gz WRQGRJJAOIEZIC-ZNMIVQPWSA-N 2 2 329.485 1.677 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496174391 255360964 /nfs/dbraw/zinc/36/09/64/255360964.db2.gz WRQGRJJAOIEZIC-ZNMIVQPWSA-N 2 2 329.485 1.677 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496459551 255394267 /nfs/dbraw/zinc/39/42/67/255394267.db2.gz IKIPBEKSZLSORN-ZALBZXLWSA-N 2 2 327.469 1.429 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496459551 255394268 /nfs/dbraw/zinc/39/42/68/255394268.db2.gz IKIPBEKSZLSORN-ZALBZXLWSA-N 2 2 327.469 1.429 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496459551 255394269 /nfs/dbraw/zinc/39/42/69/255394269.db2.gz IKIPBEKSZLSORN-ZALBZXLWSA-N 2 2 327.469 1.429 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496459551 255394270 /nfs/dbraw/zinc/39/42/70/255394270.db2.gz IKIPBEKSZLSORN-ZALBZXLWSA-N 2 2 327.469 1.429 20 0 EDADLP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000496494783 255399253 /nfs/dbraw/zinc/39/92/53/255399253.db2.gz WUJYTCWZWYUOPJ-YCPHGPKFSA-N 2 2 327.469 1.600 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000117774862 221088198 /nfs/dbraw/zinc/08/81/98/221088198.db2.gz VHCMTIXXSQUYDR-HNNXBMFYSA-N 2 2 346.475 1.524 20 0 EDADLP CC[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)[NH+](CC)CC ZINC000570596871 306546220 /nfs/dbraw/zinc/54/62/20/306546220.db2.gz LVCRPTNDOYQFEQ-QGZVFWFLSA-N 2 2 346.479 1.766 20 0 EDADLP C[C@H](CN1CCOCC1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328632874 258027229 /nfs/dbraw/zinc/02/72/29/258027229.db2.gz LNSSLTHJKALPDD-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328632874 258027231 /nfs/dbraw/zinc/02/72/31/258027231.db2.gz LNSSLTHJKALPDD-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328632874 258027233 /nfs/dbraw/zinc/02/72/33/258027233.db2.gz LNSSLTHJKALPDD-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328632874 258027234 /nfs/dbraw/zinc/02/72/34/258027234.db2.gz LNSSLTHJKALPDD-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328656020 258018775 /nfs/dbraw/zinc/01/87/75/258018775.db2.gz YZIUCJXNPHIINZ-CQSZACIVSA-N 2 2 344.419 1.694 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328656020 258018779 /nfs/dbraw/zinc/01/87/79/258018779.db2.gz YZIUCJXNPHIINZ-CQSZACIVSA-N 2 2 344.419 1.694 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000245468263 285362116 /nfs/dbraw/zinc/36/21/16/285362116.db2.gz SXMFBQNGWNGNMN-CVEARBPZSA-N 2 2 339.867 1.780 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000245468263 285362117 /nfs/dbraw/zinc/36/21/17/285362117.db2.gz SXMFBQNGWNGNMN-CVEARBPZSA-N 2 2 339.867 1.780 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000266610971 139547507 /nfs/dbraw/zinc/54/75/07/139547507.db2.gz REEREQGKSNCROA-GOSISDBHSA-N 2 2 349.475 1.717 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCSC1 ZINC000269834819 140003149 /nfs/dbraw/zinc/00/31/49/140003149.db2.gz AEZMCDVEYSXIFQ-RHSMWYFYSA-N 2 2 349.504 1.397 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269921786 140018693 /nfs/dbraw/zinc/01/86/93/140018693.db2.gz GOWHGYMMYJKBAR-FMKPAKJESA-N 2 2 329.448 1.442 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269921786 140018694 /nfs/dbraw/zinc/01/86/94/140018694.db2.gz GOWHGYMMYJKBAR-FMKPAKJESA-N 2 2 329.448 1.442 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416302090 304306019 /nfs/dbraw/zinc/30/60/19/304306019.db2.gz FVCLRXJXJGYGKD-YYIAUSFCSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416302090 304306021 /nfs/dbraw/zinc/30/60/21/304306021.db2.gz FVCLRXJXJGYGKD-YYIAUSFCSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416302186 304306212 /nfs/dbraw/zinc/30/62/12/304306212.db2.gz WGDOVDTZHUHOSV-CABCVRRESA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C[N@H+]1CCO ZINC000416302186 304306214 /nfs/dbraw/zinc/30/62/14/304306214.db2.gz WGDOVDTZHUHOSV-CABCVRRESA-N 2 2 328.416 1.399 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000328877186 140680423 /nfs/dbraw/zinc/68/04/23/140680423.db2.gz TVLLRCIBHKZDQH-UHFFFAOYSA-N 2 2 331.464 1.161 20 0 EDADLP C[C@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1[NH+](C)C ZINC000332102285 141123431 /nfs/dbraw/zinc/12/34/31/141123431.db2.gz CTJUBVIWPVCQFR-HOCLYGCPSA-N 2 2 331.464 1.642 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000333072599 141259172 /nfs/dbraw/zinc/25/91/72/141259172.db2.gz GUYYFBDAYFGLCF-ZFWWWQNUSA-N 2 2 331.464 1.997 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000333072599 141259173 /nfs/dbraw/zinc/25/91/73/141259173.db2.gz GUYYFBDAYFGLCF-ZFWWWQNUSA-N 2 2 331.464 1.997 20 0 EDADLP CC1(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)C[NH2+]C1 ZINC000333255405 141288188 /nfs/dbraw/zinc/28/81/88/141288188.db2.gz HSNJMVOHFDHQIV-UHFFFAOYSA-N 2 2 347.850 1.241 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)C[C@@H]21 ZINC000333537184 141333220 /nfs/dbraw/zinc/33/32/20/141333220.db2.gz NFTRFRKDJVDREF-LVQVYYBASA-N 2 2 331.464 1.249 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)C[C@@H]21 ZINC000333537184 141333221 /nfs/dbraw/zinc/33/32/21/141333221.db2.gz NFTRFRKDJVDREF-LVQVYYBASA-N 2 2 331.464 1.249 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000333645320 141349608 /nfs/dbraw/zinc/34/96/08/141349608.db2.gz IXYJJALTLGPPOJ-UONOGXRCSA-N 2 2 337.493 1.630 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000333645320 141349609 /nfs/dbraw/zinc/34/96/09/141349609.db2.gz IXYJJALTLGPPOJ-UONOGXRCSA-N 2 2 337.493 1.630 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1C ZINC000333803431 141384464 /nfs/dbraw/zinc/38/44/64/141384464.db2.gz IFFHIPUPFBCDDU-BZUAXINKSA-N 2 2 348.495 1.183 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000339314414 142011808 /nfs/dbraw/zinc/01/18/08/142011808.db2.gz GUKAUBLOSAUQTG-UHFFFAOYSA-N 2 2 339.827 1.365 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000339314414 142011809 /nfs/dbraw/zinc/01/18/09/142011809.db2.gz GUKAUBLOSAUQTG-UHFFFAOYSA-N 2 2 339.827 1.365 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(CCc3[nH+]c4ccccc4n3C)[C@@H]2C1 ZINC000339389579 142034552 /nfs/dbraw/zinc/03/45/52/142034552.db2.gz HCNLARDBUURSBJ-QZTJIDSGSA-N 2 2 328.460 1.911 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(CCc3[nH+]c4ccccc4n3C)[C@@H]2C1 ZINC000339389579 142034554 /nfs/dbraw/zinc/03/45/54/142034554.db2.gz HCNLARDBUURSBJ-QZTJIDSGSA-N 2 2 328.460 1.911 20 0 EDADLP C[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)[NH+]1C ZINC000339622084 142097841 /nfs/dbraw/zinc/09/78/41/142097841.db2.gz NAIXLMHCSOOSAN-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCSC1 ZINC000339975897 142218152 /nfs/dbraw/zinc/21/81/52/142218152.db2.gz OHSBJNVHYKTOOY-QGZVFWFLSA-N 2 2 344.484 1.985 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCSC1 ZINC000339975897 142218153 /nfs/dbraw/zinc/21/81/53/142218153.db2.gz OHSBJNVHYKTOOY-QGZVFWFLSA-N 2 2 344.484 1.985 20 0 EDADLP CCN(CCOC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000339992306 142226674 /nfs/dbraw/zinc/22/66/74/142226674.db2.gz KJOXJGNRQLVLPM-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000340018837 142236702 /nfs/dbraw/zinc/23/67/02/142236702.db2.gz CLPDBOAEEWECGT-UHFFFAOYSA-N 2 2 346.479 1.653 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000340018837 142236704 /nfs/dbraw/zinc/23/67/04/142236704.db2.gz CLPDBOAEEWECGT-UHFFFAOYSA-N 2 2 346.479 1.653 20 0 EDADLP CCCCN(CCOC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340249704 142319312 /nfs/dbraw/zinc/31/93/12/142319312.db2.gz DPJMFULJTVMKJQ-UHFFFAOYSA-N 2 2 328.501 1.471 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000340258804 142322573 /nfs/dbraw/zinc/32/25/73/142322573.db2.gz UYMZZASXKZEPBU-ROUUACIJSA-N 2 2 330.476 1.868 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@@H]1C ZINC000340324806 142341832 /nfs/dbraw/zinc/34/18/32/142341832.db2.gz KMUDXGIEKBNRNS-UONOGXRCSA-N 2 2 343.431 1.522 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@@H]1C ZINC000340324806 142341833 /nfs/dbraw/zinc/34/18/33/142341833.db2.gz KMUDXGIEKBNRNS-UONOGXRCSA-N 2 2 343.431 1.522 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000342687115 142745443 /nfs/dbraw/zinc/74/54/43/142745443.db2.gz LIBOSNFZLBEBGY-HNAYVOBHSA-N 2 2 343.471 1.731 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000342687115 142745444 /nfs/dbraw/zinc/74/54/44/142745444.db2.gz LIBOSNFZLBEBGY-HNAYVOBHSA-N 2 2 343.471 1.731 20 0 EDADLP CC[N@H+](CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C(C)C ZINC000344776053 143010571 /nfs/dbraw/zinc/01/05/71/143010571.db2.gz OMXRNVYJWXLWLN-HOTGVXAUSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@@H+](CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C(C)C ZINC000344776053 143010572 /nfs/dbraw/zinc/01/05/72/143010572.db2.gz OMXRNVYJWXLWLN-HOTGVXAUSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000345270526 143071635 /nfs/dbraw/zinc/07/16/35/143071635.db2.gz XICWCPNQDNCTAW-MDZRGWNJSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000345270526 143071636 /nfs/dbraw/zinc/07/16/36/143071636.db2.gz XICWCPNQDNCTAW-MDZRGWNJSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCC[N@@H+]1C ZINC000345317181 143077175 /nfs/dbraw/zinc/07/71/75/143077175.db2.gz KKDVGUUWYZEZBD-QAPCUYQASA-N 2 2 331.460 1.731 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCC[N@H+]1C ZINC000345317181 143077176 /nfs/dbraw/zinc/07/71/76/143077176.db2.gz KKDVGUUWYZEZBD-QAPCUYQASA-N 2 2 331.460 1.731 20 0 EDADLP [NH3+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000346090473 143166423 /nfs/dbraw/zinc/16/64/23/143166423.db2.gz LFVGOUZOUYXCMX-AWEZNQCLSA-N 2 2 330.432 1.565 20 0 EDADLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000346090473 143166424 /nfs/dbraw/zinc/16/64/24/143166424.db2.gz LFVGOUZOUYXCMX-AWEZNQCLSA-N 2 2 330.432 1.565 20 0 EDADLP O=C(NCCN1CC[NH+](CCn2cc[nH+]c2)CC1)c1ccccc1F ZINC000346333988 143192939 /nfs/dbraw/zinc/19/29/39/143192939.db2.gz WYTNAMMCVGCSJL-UHFFFAOYSA-N 2 2 345.422 1.070 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](F)C[C@@H]3CO)CC2)c1 ZINC000346346693 143194624 /nfs/dbraw/zinc/19/46/24/143194624.db2.gz ARROIACXCSZRCD-ZWKOTPCHSA-N 2 2 349.450 1.044 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](F)C[C@@H]3CO)CC2)c1 ZINC000346346693 143194625 /nfs/dbraw/zinc/19/46/25/143194625.db2.gz ARROIACXCSZRCD-ZWKOTPCHSA-N 2 2 349.450 1.044 20 0 EDADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000346469498 143208219 /nfs/dbraw/zinc/20/82/19/143208219.db2.gz YUDAAHBOMABNQS-IKGGRYGDSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000346469498 143208220 /nfs/dbraw/zinc/20/82/20/143208220.db2.gz YUDAAHBOMABNQS-IKGGRYGDSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C[C@H]2OCC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000346491596 143210519 /nfs/dbraw/zinc/21/05/19/143210519.db2.gz KPWDMNBQDPSZHY-MISYRCLQSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C[C@H]2OCC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000346491596 143210520 /nfs/dbraw/zinc/21/05/20/143210520.db2.gz KPWDMNBQDPSZHY-MISYRCLQSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@H]2OCC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000346491596 143210521 /nfs/dbraw/zinc/21/05/21/143210521.db2.gz KPWDMNBQDPSZHY-MISYRCLQSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@H]2OCC[N@@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000346491596 143210522 /nfs/dbraw/zinc/21/05/22/143210522.db2.gz KPWDMNBQDPSZHY-MISYRCLQSA-N 2 2 347.503 1.711 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000347157574 143288918 /nfs/dbraw/zinc/28/89/18/143288918.db2.gz STWVGVFBAMASGY-WOSRLPQWSA-N 2 2 325.478 1.586 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000347157574 143288919 /nfs/dbraw/zinc/28/89/19/143288919.db2.gz STWVGVFBAMASGY-WOSRLPQWSA-N 2 2 325.478 1.586 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347475204 143326312 /nfs/dbraw/zinc/32/63/12/143326312.db2.gz NCMPATMYMNLRLV-QZTJIDSGSA-N 2 2 345.487 1.938 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347475204 143326313 /nfs/dbraw/zinc/32/63/13/143326313.db2.gz NCMPATMYMNLRLV-QZTJIDSGSA-N 2 2 345.487 1.938 20 0 EDADLP COCCOCc1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000347877997 143373627 /nfs/dbraw/zinc/37/36/27/143373627.db2.gz LQIXAPDZPIYHFA-UHFFFAOYSA-N 2 2 344.459 1.891 20 0 EDADLP CC(C)C[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000369705871 155141536 /nfs/dbraw/zinc/14/15/36/155141536.db2.gz FQVQXZGDKXNOTL-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)C[N@H+]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000369705871 155141540 /nfs/dbraw/zinc/14/15/40/155141540.db2.gz FQVQXZGDKXNOTL-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)C[NH+]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000369705871 155141541 /nfs/dbraw/zinc/14/15/41/155141541.db2.gz FQVQXZGDKXNOTL-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)C[NH+]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000369705871 155141545 /nfs/dbraw/zinc/14/15/45/155141545.db2.gz FQVQXZGDKXNOTL-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000340510897 149053771 /nfs/dbraw/zinc/05/37/71/149053771.db2.gz BQFSASGNYLSBNO-FQEVSTJZSA-N 3 2 347.503 1.106 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000340510897 149053773 /nfs/dbraw/zinc/05/37/73/149053773.db2.gz BQFSASGNYLSBNO-FQEVSTJZSA-N 3 2 347.503 1.106 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000369892634 155220762 /nfs/dbraw/zinc/22/07/62/155220762.db2.gz LPUIDIREPPFYFH-PMPSAXMXSA-N 2 2 333.480 1.960 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCC[C@@H]1O ZINC000352660460 149104151 /nfs/dbraw/zinc/10/41/51/149104151.db2.gz SFTVJAOJSZOTTJ-HOTGVXAUSA-N 2 2 337.489 1.238 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCC[C@@H]1O ZINC000352660460 149104152 /nfs/dbraw/zinc/10/41/52/149104152.db2.gz SFTVJAOJSZOTTJ-HOTGVXAUSA-N 2 2 337.489 1.238 20 0 EDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416896508 304354196 /nfs/dbraw/zinc/35/41/96/304354196.db2.gz VZQKSHDDCFYZDX-NXHRZFHOSA-N 2 2 346.475 1.487 20 0 EDADLP O=C(C[N@@H+]1CCC=C(c2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000353169935 149310655 /nfs/dbraw/zinc/31/06/55/149310655.db2.gz KLBSAQIQSQGOQH-UHFFFAOYSA-N 2 2 340.471 1.914 20 0 EDADLP O=C(C[N@H+]1CCC=C(c2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000353169935 149310660 /nfs/dbraw/zinc/31/06/60/149310660.db2.gz KLBSAQIQSQGOQH-UHFFFAOYSA-N 2 2 340.471 1.914 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000353254756 149341010 /nfs/dbraw/zinc/34/10/10/149341010.db2.gz BLLDRIXFEOHIRQ-GFCCVEGCSA-N 2 2 334.386 1.722 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000353254756 149341012 /nfs/dbraw/zinc/34/10/12/149341012.db2.gz BLLDRIXFEOHIRQ-GFCCVEGCSA-N 2 2 334.386 1.722 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1COCC[NH+]1C1CCCC1 ZINC000353331813 149368515 /nfs/dbraw/zinc/36/85/15/149368515.db2.gz UYCVRAJJVVYGBH-MAUKXSAKSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1COCC[NH+]1C1CCCC1 ZINC000353331813 149368516 /nfs/dbraw/zinc/36/85/16/149368516.db2.gz UYCVRAJJVVYGBH-MAUKXSAKSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000353331813 149368517 /nfs/dbraw/zinc/36/85/17/149368517.db2.gz UYCVRAJJVVYGBH-MAUKXSAKSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000353331813 149368518 /nfs/dbraw/zinc/36/85/18/149368518.db2.gz UYCVRAJJVVYGBH-MAUKXSAKSA-N 2 2 335.492 1.763 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC000416976962 304359237 /nfs/dbraw/zinc/35/92/37/304359237.db2.gz ANICBZNSONDPCX-GDBMZVCRSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC3([NH3+])CCC3)c[nH+]2)C[C@@H](C)O1 ZINC000416981455 304360660 /nfs/dbraw/zinc/36/06/60/304360660.db2.gz HIDUIZUYDCZDNR-ZIAGYGMSSA-N 2 2 347.463 1.376 20 0 EDADLP C[C@@H]1CN(C(=O)CCC2CCOCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354950229 150051112 /nfs/dbraw/zinc/05/11/12/150051112.db2.gz UZINNVHAGWSVBI-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CN(C(=O)CCC2CCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354950229 150051113 /nfs/dbraw/zinc/05/11/13/150051113.db2.gz UZINNVHAGWSVBI-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000355314314 150212892 /nfs/dbraw/zinc/21/28/92/150212892.db2.gz IGIKPPMGAGLAKC-ZWKOTPCHSA-N 2 2 337.508 1.678 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000355314314 150212894 /nfs/dbraw/zinc/21/28/94/150212894.db2.gz IGIKPPMGAGLAKC-ZWKOTPCHSA-N 2 2 337.508 1.678 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417029726 304362429 /nfs/dbraw/zinc/36/24/29/304362429.db2.gz OCAAPJIBNUHZTL-HNNXBMFYSA-N 2 2 326.485 1.258 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000355583919 150325170 /nfs/dbraw/zinc/32/51/70/150325170.db2.gz NOJZNFPVUJVOLR-UHFFFAOYSA-N 2 2 328.464 1.730 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000355631198 150344166 /nfs/dbraw/zinc/34/41/66/150344166.db2.gz DLFHLDPXICUOAO-PBHICJAKSA-N 2 2 343.537 1.477 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000356116033 150515621 /nfs/dbraw/zinc/51/56/21/150515621.db2.gz JXHHVUMODFOTKB-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000417046682 304366330 /nfs/dbraw/zinc/36/63/30/304366330.db2.gz XBWHONCEBQISBA-IAGOWNOFSA-N 2 2 332.448 1.096 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000357468753 151040773 /nfs/dbraw/zinc/04/07/73/151040773.db2.gz NXYJKFOFBRFARF-KBPBESRZSA-N 2 2 327.469 1.249 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000357468753 151040775 /nfs/dbraw/zinc/04/07/75/151040775.db2.gz NXYJKFOFBRFARF-KBPBESRZSA-N 2 2 327.469 1.249 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357655506 151104046 /nfs/dbraw/zinc/10/40/46/151104046.db2.gz ZOKJETJPUSQOKI-HZPDHXFCSA-N 2 2 325.497 1.555 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357655506 151104049 /nfs/dbraw/zinc/10/40/49/151104049.db2.gz ZOKJETJPUSQOKI-HZPDHXFCSA-N 2 2 325.497 1.555 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000357775654 151147856 /nfs/dbraw/zinc/14/78/56/151147856.db2.gz QBRSXZBLFYZSOQ-JYJNAYRXSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000357775654 151147858 /nfs/dbraw/zinc/14/78/58/151147858.db2.gz QBRSXZBLFYZSOQ-JYJNAYRXSA-N 2 2 328.501 1.515 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000358022687 151237804 /nfs/dbraw/zinc/23/78/04/151237804.db2.gz HUFLCITWPMNVIK-UHFFFAOYSA-N 2 2 346.519 1.652 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000358022687 151237807 /nfs/dbraw/zinc/23/78/07/151237807.db2.gz HUFLCITWPMNVIK-UHFFFAOYSA-N 2 2 346.519 1.652 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000358134250 151283703 /nfs/dbraw/zinc/28/37/03/151283703.db2.gz ALULFMVUEVKRAF-SMDDNHRTSA-N 2 2 340.265 1.719 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000358134250 151283706 /nfs/dbraw/zinc/28/37/06/151283706.db2.gz ALULFMVUEVKRAF-SMDDNHRTSA-N 2 2 340.265 1.719 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417077851 304370624 /nfs/dbraw/zinc/37/06/24/304370624.db2.gz LWJUDRGBNFWVLP-HUUCEWRRSA-N 2 2 331.464 1.867 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(C)n1 ZINC000360907507 152247892 /nfs/dbraw/zinc/24/78/92/152247892.db2.gz YEXPZNQHCQAKAR-GUYCJALGSA-N 2 2 333.480 1.687 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(C)n1 ZINC000360907507 152247893 /nfs/dbraw/zinc/24/78/93/152247893.db2.gz YEXPZNQHCQAKAR-GUYCJALGSA-N 2 2 333.480 1.687 20 0 EDADLP COC[C@@H](CC(C)C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000360940582 152258838 /nfs/dbraw/zinc/25/88/38/152258838.db2.gz FUYXNFXIWQDQJQ-QGZVFWFLSA-N 2 2 348.491 1.771 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CN2CCCC2=O)CC1 ZINC000360953535 152262581 /nfs/dbraw/zinc/26/25/81/152262581.db2.gz HFAKCRNBUBSZQJ-AWEZNQCLSA-N 2 2 325.453 1.005 20 0 EDADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000361014316 152279991 /nfs/dbraw/zinc/27/99/91/152279991.db2.gz SZHIFVKWRRYYAH-CQSZACIVSA-N 2 2 326.824 1.673 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc([S@](C)=O)cc1 ZINC000361218095 152338362 /nfs/dbraw/zinc/33/83/62/152338362.db2.gz WGQAZQBTRQQZQT-LZDDTZTRSA-N 2 2 337.489 1.414 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc([S@](C)=O)cc1 ZINC000361218095 152338363 /nfs/dbraw/zinc/33/83/63/152338363.db2.gz WGQAZQBTRQQZQT-LZDDTZTRSA-N 2 2 337.489 1.414 20 0 EDADLP Cc1c([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000361230630 152340758 /nfs/dbraw/zinc/34/07/58/152340758.db2.gz QBMXVJQNWNADRN-HZPDHXFCSA-N 2 2 342.491 1.862 20 0 EDADLP CC(C)O[C@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C1(C)C ZINC000361238613 152342912 /nfs/dbraw/zinc/34/29/12/152342912.db2.gz VBZKOGQLIBKFOV-MSOLQXFVSA-N 2 2 341.540 1.558 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCCOCC[NH+](C)C)c1 ZINC000361435137 152394906 /nfs/dbraw/zinc/39/49/06/152394906.db2.gz JJASCSASQYREEK-UHFFFAOYSA-N 2 2 331.420 1.787 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)[NH+]2CCOCC2)cc1 ZINC000417181215 304381338 /nfs/dbraw/zinc/38/13/38/304381338.db2.gz PJYFRADVKLVWPE-MSOLQXFVSA-N 2 2 346.475 1.405 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000370194635 155370810 /nfs/dbraw/zinc/37/08/10/155370810.db2.gz PYBMXTXWSIDNBL-KRWDZBQOSA-N 2 2 344.484 1.794 20 0 EDADLP Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363905322 153092000 /nfs/dbraw/zinc/09/20/00/153092000.db2.gz NYXYRQJDDZLZAQ-HNNXBMFYSA-N 2 2 344.459 1.218 20 0 EDADLP Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363905322 153092002 /nfs/dbraw/zinc/09/20/02/153092002.db2.gz NYXYRQJDDZLZAQ-HNNXBMFYSA-N 2 2 344.459 1.218 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000363960418 153108266 /nfs/dbraw/zinc/10/82/66/153108266.db2.gz MCGNDZHPRJBNPK-ZBFHGGJFSA-N 2 2 342.447 1.795 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000363960418 153108269 /nfs/dbraw/zinc/10/82/69/153108269.db2.gz MCGNDZHPRJBNPK-ZBFHGGJFSA-N 2 2 342.447 1.795 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(-c4ccco4)on3)C2)CC1 ZINC000364206217 153172753 /nfs/dbraw/zinc/17/27/53/153172753.db2.gz JXOSQVXUDPCHKW-CYBMUJFWSA-N 2 2 344.415 1.833 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)cn21 ZINC000364223646 153180448 /nfs/dbraw/zinc/18/04/48/153180448.db2.gz WVMNODSSAIUAJU-AGUYFDCRSA-N 2 2 326.400 1.074 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000364247754 153185956 /nfs/dbraw/zinc/18/59/56/153185956.db2.gz JHSUUTZOWIRURI-HLLBOEOZSA-N 2 2 346.475 1.844 20 0 EDADLP CC(C)Cn1ncnc1C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364344918 153211686 /nfs/dbraw/zinc/21/16/86/153211686.db2.gz UCEOBOWDYQEQBW-BRWVUGGUSA-N 2 2 335.496 1.913 20 0 EDADLP CC(C)Cn1ncnc1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364344918 153211687 /nfs/dbraw/zinc/21/16/87/153211687.db2.gz UCEOBOWDYQEQBW-BRWVUGGUSA-N 2 2 335.496 1.913 20 0 EDADLP CC1CC[NH+](CCCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000364374487 153220306 /nfs/dbraw/zinc/22/03/06/153220306.db2.gz NGLYSRQPBAQEKK-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP CC1CC[NH+](CCCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000364374487 153220310 /nfs/dbraw/zinc/22/03/10/153220310.db2.gz NGLYSRQPBAQEKK-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)n1cc(C[N@H+]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)cn1 ZINC000364427162 153233475 /nfs/dbraw/zinc/23/34/75/153233475.db2.gz UVTOVHYCLKQIJT-UHFFFAOYSA-N 2 2 335.496 1.839 20 0 EDADLP CC(C)n1cc(C[NH+]2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)cn1 ZINC000364427162 153233476 /nfs/dbraw/zinc/23/34/76/153233476.db2.gz UVTOVHYCLKQIJT-UHFFFAOYSA-N 2 2 335.496 1.839 20 0 EDADLP CC(C)n1cc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)cn1 ZINC000364427162 153233478 /nfs/dbraw/zinc/23/34/78/153233478.db2.gz UVTOVHYCLKQIJT-UHFFFAOYSA-N 2 2 335.496 1.839 20 0 EDADLP COc1ccnc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1OC ZINC000364526516 153259803 /nfs/dbraw/zinc/25/98/03/153259803.db2.gz FBWGMUTWEWAZBN-INIZCTEOSA-N 2 2 348.491 1.558 20 0 EDADLP COc1ccnc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1OC ZINC000364526516 153259805 /nfs/dbraw/zinc/25/98/05/153259805.db2.gz FBWGMUTWEWAZBN-INIZCTEOSA-N 2 2 348.491 1.558 20 0 EDADLP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000364577069 153277328 /nfs/dbraw/zinc/27/73/28/153277328.db2.gz CGJQUJNMGJORPA-MJGOQNOKSA-N 2 2 329.444 1.209 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3nnc(C)n3C)[C@H](C)C2)s1 ZINC000364892011 153362064 /nfs/dbraw/zinc/36/20/64/153362064.db2.gz FJRWEBOGCAZXOG-IAQYHMDHSA-N 2 2 334.493 1.889 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3nnc(C)n3C)[C@H](C)C2)s1 ZINC000364892011 153362065 /nfs/dbraw/zinc/36/20/65/153362065.db2.gz FJRWEBOGCAZXOG-IAQYHMDHSA-N 2 2 334.493 1.889 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1CC ZINC000364915377 153367715 /nfs/dbraw/zinc/36/77/15/153367715.db2.gz LBAJWPXVUAYNAD-CVEARBPZSA-N 2 2 334.464 1.405 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1CC ZINC000364915377 153367716 /nfs/dbraw/zinc/36/77/16/153367716.db2.gz LBAJWPXVUAYNAD-CVEARBPZSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000364941467 153378612 /nfs/dbraw/zinc/37/86/12/153378612.db2.gz OSPDMIFBRJQXQS-MSOLQXFVSA-N 2 2 339.524 1.578 20 0 EDADLP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000364941467 153378615 /nfs/dbraw/zinc/37/86/15/153378615.db2.gz OSPDMIFBRJQXQS-MSOLQXFVSA-N 2 2 339.524 1.578 20 0 EDADLP C[C@H]1CC(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000367185624 154033391 /nfs/dbraw/zinc/03/33/91/154033391.db2.gz JMWWMPHSCNPOOO-IRXDYDNUSA-N 2 2 339.524 1.576 20 0 EDADLP C[C@H]1CC(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000367185624 154033393 /nfs/dbraw/zinc/03/33/93/154033393.db2.gz JMWWMPHSCNPOOO-IRXDYDNUSA-N 2 2 339.524 1.576 20 0 EDADLP COc1ccc(O)cc1[C@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367318771 154077465 /nfs/dbraw/zinc/07/74/65/154077465.db2.gz RWYBHOWGUQTKMV-JKSUJKDBSA-N 2 2 349.475 1.458 20 0 EDADLP Cc1cc(NC(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c[nH+]1 ZINC000367460706 154133754 /nfs/dbraw/zinc/13/37/54/154133754.db2.gz HNIOMQLSCUJTJZ-INIZCTEOSA-N 2 2 345.491 1.753 20 0 EDADLP C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)C1CCN(c2cccc[nH+]2)CC1 ZINC000367464476 154136096 /nfs/dbraw/zinc/13/60/96/154136096.db2.gz TUDBXRQVOAXKMB-HNNXBMFYSA-N 2 2 337.489 1.807 20 0 EDADLP C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)C1CCN(c2cccc[nH+]2)CC1 ZINC000367464476 154136097 /nfs/dbraw/zinc/13/60/97/154136097.db2.gz TUDBXRQVOAXKMB-HNNXBMFYSA-N 2 2 337.489 1.807 20 0 EDADLP COC(=O)c1cc(C)nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000367642158 154209106 /nfs/dbraw/zinc/20/91/06/154209106.db2.gz HRENJPYYJRFTCF-UHFFFAOYSA-N 2 2 347.463 1.542 20 0 EDADLP CCn1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cn1 ZINC000367696376 154233279 /nfs/dbraw/zinc/23/32/79/154233279.db2.gz HDXNFUVAHLVAOB-LNRIEFBSSA-N 2 2 333.480 1.637 20 0 EDADLP CCn1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cn1 ZINC000367696376 154233283 /nfs/dbraw/zinc/23/32/83/154233283.db2.gz HDXNFUVAHLVAOB-LNRIEFBSSA-N 2 2 333.480 1.637 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000367847510 154297157 /nfs/dbraw/zinc/29/71/57/154297157.db2.gz QDOJMPSEGNEBHT-LSDHHAIUSA-N 2 2 336.484 1.528 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000367847510 154297160 /nfs/dbraw/zinc/29/71/60/154297160.db2.gz QDOJMPSEGNEBHT-LSDHHAIUSA-N 2 2 336.484 1.528 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(O)cc2O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368004700 154365144 /nfs/dbraw/zinc/36/51/44/154365144.db2.gz GMNPJNAVYHFFBB-CYBMUJFWSA-N 2 2 333.432 1.338 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(O)cc2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368004700 154365148 /nfs/dbraw/zinc/36/51/48/154365148.db2.gz GMNPJNAVYHFFBB-CYBMUJFWSA-N 2 2 333.432 1.338 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000369421130 155025710 /nfs/dbraw/zinc/02/57/10/155025710.db2.gz NVPIAGWCXDIWEV-GOEBONIOSA-N 2 2 325.416 1.966 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000369421130 155025715 /nfs/dbraw/zinc/02/57/15/155025715.db2.gz NVPIAGWCXDIWEV-GOEBONIOSA-N 2 2 325.416 1.966 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000417380636 304395892 /nfs/dbraw/zinc/39/58/92/304395892.db2.gz HOBOCIROKJKXEC-INIZCTEOSA-N 3 2 339.528 1.218 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601179 155105820 /nfs/dbraw/zinc/10/58/20/155105820.db2.gz YABVXEDTVNTUTH-HYVNUMGLSA-N 2 2 348.491 1.561 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601179 155105824 /nfs/dbraw/zinc/10/58/24/155105824.db2.gz YABVXEDTVNTUTH-HYVNUMGLSA-N 2 2 348.491 1.561 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601179 155105829 /nfs/dbraw/zinc/10/58/29/155105829.db2.gz YABVXEDTVNTUTH-HYVNUMGLSA-N 2 2 348.491 1.561 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601179 155105831 /nfs/dbraw/zinc/10/58/31/155105831.db2.gz YABVXEDTVNTUTH-HYVNUMGLSA-N 2 2 348.491 1.561 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)[nH]1 ZINC000371595351 156022288 /nfs/dbraw/zinc/02/22/88/156022288.db2.gz DKFIWOKEXCPBJT-SUMWQHHRSA-N 2 2 345.447 1.708 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)[nH]1 ZINC000371595351 156022291 /nfs/dbraw/zinc/02/22/91/156022291.db2.gz DKFIWOKEXCPBJT-SUMWQHHRSA-N 2 2 345.447 1.708 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)C[C@@H]1C ZINC000371810507 156114351 /nfs/dbraw/zinc/11/43/51/156114351.db2.gz ODCHGCRBWNDKLT-FTRWYGJKSA-N 2 2 345.487 1.303 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)C[C@@H]1C ZINC000371810507 156114353 /nfs/dbraw/zinc/11/43/53/156114353.db2.gz ODCHGCRBWNDKLT-FTRWYGJKSA-N 2 2 345.487 1.303 20 0 EDADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cc2)[nH]1 ZINC000373880330 157045016 /nfs/dbraw/zinc/04/50/16/157045016.db2.gz GGRUKQMUGKHDEV-MRXNPFEDSA-N 2 2 348.410 1.583 20 0 EDADLP COc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc(C)n1 ZINC000374387152 157271690 /nfs/dbraw/zinc/27/16/90/157271690.db2.gz IQVZZIDSUJZXLD-OAHLLOKOSA-N 2 2 346.475 1.639 20 0 EDADLP COc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc(C)n1 ZINC000374387152 157271692 /nfs/dbraw/zinc/27/16/92/157271692.db2.gz IQVZZIDSUJZXLD-OAHLLOKOSA-N 2 2 346.475 1.639 20 0 EDADLP NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000378338941 158145213 /nfs/dbraw/zinc/14/52/13/158145213.db2.gz DBABRJRKCIUCSQ-AWEZNQCLSA-N 2 2 335.411 1.802 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378361602 158152557 /nfs/dbraw/zinc/15/25/57/158152557.db2.gz SMKQPYSDLVCFIV-MRXNPFEDSA-N 3 2 339.528 1.138 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378361602 158152558 /nfs/dbraw/zinc/15/25/58/158152558.db2.gz SMKQPYSDLVCFIV-MRXNPFEDSA-N 3 2 339.528 1.138 20 0 EDADLP COc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000378365893 158154015 /nfs/dbraw/zinc/15/40/15/158154015.db2.gz MXPAZDHJQRUONR-HNNXBMFYSA-N 2 2 331.460 1.936 20 0 EDADLP COc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000378365893 158154017 /nfs/dbraw/zinc/15/40/17/158154017.db2.gz MXPAZDHJQRUONR-HNNXBMFYSA-N 2 2 331.460 1.936 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000378446368 158176566 /nfs/dbraw/zinc/17/65/66/158176566.db2.gz YXMYEUOLVLKHQI-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000378446368 158176570 /nfs/dbraw/zinc/17/65/70/158176570.db2.gz YXMYEUOLVLKHQI-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352495221 162210696 /nfs/dbraw/zinc/21/06/96/162210696.db2.gz JQTMOZCOOPZMFC-GOEBONIOSA-N 2 2 332.448 1.002 20 0 EDADLP CCN(C(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352502962 162216308 /nfs/dbraw/zinc/21/63/08/162216308.db2.gz AMNOBGIVDYUVNR-AEFFLSMTSA-N 2 2 330.476 1.408 20 0 EDADLP C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352509187 162220301 /nfs/dbraw/zinc/22/03/01/162220301.db2.gz JWOQCRIHLYLDET-AEFFLSMTSA-N 2 2 342.487 1.334 20 0 EDADLP Cc1noc2ncc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc12 ZINC000058970521 287234815 /nfs/dbraw/zinc/23/48/15/287234815.db2.gz RFTNSCVTVFABPC-UHFFFAOYSA-N 2 2 345.447 1.629 20 0 EDADLP Cc1noc2ncc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc12 ZINC000058970521 287234817 /nfs/dbraw/zinc/23/48/17/287234817.db2.gz RFTNSCVTVFABPC-UHFFFAOYSA-N 2 2 345.447 1.629 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000073484029 287260646 /nfs/dbraw/zinc/26/06/46/287260646.db2.gz RTUTUXNMNXBSNR-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000073484029 287260647 /nfs/dbraw/zinc/26/06/47/287260647.db2.gz RTUTUXNMNXBSNR-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000074850891 287273571 /nfs/dbraw/zinc/27/35/71/287273571.db2.gz NOJOAZVZINAVTP-UHFFFAOYSA-N 2 2 349.479 1.400 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000165647030 226131897 /nfs/dbraw/zinc/13/18/97/226131897.db2.gz CDLCCKYDOSQTBZ-INIZCTEOSA-N 2 2 333.432 1.226 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CC2CC[NH2+]CC2)[NH+]2CCOCC2)cc1 ZINC000165675187 226132818 /nfs/dbraw/zinc/13/28/18/226132818.db2.gz FCWKTIWVHHUYDA-IBGZPJMESA-N 2 2 345.487 1.874 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000167963803 226204229 /nfs/dbraw/zinc/20/42/29/226204229.db2.gz HWMFYXMSWPKIMP-SQNIBIBYSA-N 2 2 331.460 1.382 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000171686622 227221264 /nfs/dbraw/zinc/22/12/64/227221264.db2.gz WATZUTBAMIBUBA-OAHLLOKOSA-N 2 2 333.480 1.506 20 0 EDADLP Cc1cccn2cc(CNC(=O)CCCC[NH+]3CCOCC3)[nH+]c12 ZINC000171822125 227299436 /nfs/dbraw/zinc/29/94/36/227299436.db2.gz IECLLCKCRHYECB-UHFFFAOYSA-N 2 2 330.432 1.761 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000273256497 268005348 /nfs/dbraw/zinc/00/53/48/268005348.db2.gz YSXTVSMMDDVNGA-GOEBONIOSA-N 2 2 345.447 1.321 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000273256497 268005351 /nfs/dbraw/zinc/00/53/51/268005351.db2.gz YSXTVSMMDDVNGA-GOEBONIOSA-N 2 2 345.447 1.321 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]CN3CCC(=O)CC3)cc2)CC1 ZINC000273046485 273025779 /nfs/dbraw/zinc/02/57/79/273025779.db2.gz HBNBNOICKFMZSO-UHFFFAOYSA-N 2 2 344.503 1.536 20 0 EDADLP CCN1CC[NH+](Cc2ccc(C[NH2+]CN3CCC(=O)CC3)cc2)CC1 ZINC000273046485 273025780 /nfs/dbraw/zinc/02/57/80/273025780.db2.gz HBNBNOICKFMZSO-UHFFFAOYSA-N 2 2 344.503 1.536 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)cc[nH+]1 ZINC000274217428 268112301 /nfs/dbraw/zinc/11/23/01/268112301.db2.gz OHCFNWSNMZLEJE-KRWDZBQOSA-N 2 2 343.475 1.841 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)cc[nH+]1 ZINC000274217428 268112302 /nfs/dbraw/zinc/11/23/02/268112302.db2.gz OHCFNWSNMZLEJE-KRWDZBQOSA-N 2 2 343.475 1.841 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000275234203 273107781 /nfs/dbraw/zinc/10/77/81/273107781.db2.gz WGOVEGZAHBDQNK-INIZCTEOSA-N 2 2 341.459 1.713 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2)CO1 ZINC000275246383 273109925 /nfs/dbraw/zinc/10/99/25/273109925.db2.gz OEUAJEADIRGPLD-SJLPKXTDSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2)CO1 ZINC000275246383 273109926 /nfs/dbraw/zinc/10/99/26/273109926.db2.gz OEUAJEADIRGPLD-SJLPKXTDSA-N 2 2 331.460 1.613 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000275726077 273122533 /nfs/dbraw/zinc/12/25/33/273122533.db2.gz WTHRRUOEUGYKSE-UHFFFAOYSA-N 2 2 343.406 1.355 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCCn3cc[nH+]c3)cn2c1 ZINC000042720721 272910081 /nfs/dbraw/zinc/91/00/81/272910081.db2.gz XDTSVQNLJKFYJP-UHFFFAOYSA-N 2 2 329.429 1.889 20 0 EDADLP C[NH+]1CCC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000043179709 272910421 /nfs/dbraw/zinc/91/04/21/272910421.db2.gz QFVSOGJBCQWUFW-UHFFFAOYSA-N 2 2 327.432 1.825 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000174827360 272936295 /nfs/dbraw/zinc/93/62/95/272936295.db2.gz QLCMUZRYNNNFOQ-UHFFFAOYSA-N 2 2 337.468 1.043 20 0 EDADLP CO[C@@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H]1OC ZINC000276917926 273169113 /nfs/dbraw/zinc/16/91/13/273169113.db2.gz REMBLWCLVQQXDP-JCGIZDLHSA-N 2 2 333.432 1.360 20 0 EDADLP CO[C@@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H]1OC ZINC000276917926 273169115 /nfs/dbraw/zinc/16/91/15/273169115.db2.gz REMBLWCLVQQXDP-JCGIZDLHSA-N 2 2 333.432 1.360 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000278948369 273275126 /nfs/dbraw/zinc/27/51/26/273275126.db2.gz VKEVVMVTRCJCPU-UHFFFAOYSA-N 2 2 328.420 1.453 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000278948369 273275128 /nfs/dbraw/zinc/27/51/28/273275128.db2.gz VKEVVMVTRCJCPU-UHFFFAOYSA-N 2 2 328.420 1.453 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)c[nH+]2)CCO1 ZINC000279464054 273299798 /nfs/dbraw/zinc/29/97/98/273299798.db2.gz JHSGDGCBFUWXNW-RHSMWYFYSA-N 2 2 344.459 1.550 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)c[nH+]2)CCO1 ZINC000279464054 273299800 /nfs/dbraw/zinc/29/98/00/273299800.db2.gz JHSGDGCBFUWXNW-RHSMWYFYSA-N 2 2 344.459 1.550 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccnc(N)c1 ZINC000279811064 273329031 /nfs/dbraw/zinc/32/90/31/273329031.db2.gz XIYNLNBSDMXXHR-GJZGRUSLSA-N 2 2 332.427 1.442 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccnc(N)c1 ZINC000279811064 273329033 /nfs/dbraw/zinc/32/90/33/273329033.db2.gz XIYNLNBSDMXXHR-GJZGRUSLSA-N 2 2 332.427 1.442 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280534077 273368180 /nfs/dbraw/zinc/36/81/80/273368180.db2.gz ABRPNDQTQGMUEF-UYAOXDASSA-N 2 2 343.471 1.525 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000283895708 274001591 /nfs/dbraw/zinc/00/15/91/274001591.db2.gz IOKXNVKWXTUGBE-HNNXBMFYSA-N 2 2 345.447 1.206 20 0 EDADLP CO[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1OC ZINC000283911771 274008002 /nfs/dbraw/zinc/00/80/02/274008002.db2.gz BTPMGJRULIAXFD-QRVBRYPASA-N 2 2 334.460 1.623 20 0 EDADLP CO[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1OC ZINC000283911771 274008004 /nfs/dbraw/zinc/00/80/04/274008004.db2.gz BTPMGJRULIAXFD-QRVBRYPASA-N 2 2 334.460 1.623 20 0 EDADLP CO[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1OC ZINC000283911771 274008006 /nfs/dbraw/zinc/00/80/06/274008006.db2.gz BTPMGJRULIAXFD-QRVBRYPASA-N 2 2 334.460 1.623 20 0 EDADLP CO[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1OC ZINC000283911771 274008007 /nfs/dbraw/zinc/00/80/07/274008007.db2.gz BTPMGJRULIAXFD-QRVBRYPASA-N 2 2 334.460 1.623 20 0 EDADLP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284354556 274172365 /nfs/dbraw/zinc/17/23/65/274172365.db2.gz DBYRVCVDJBEKBN-SZMVWBNQSA-N 2 2 331.460 1.534 20 0 EDADLP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284354556 274172371 /nfs/dbraw/zinc/17/23/71/274172371.db2.gz DBYRVCVDJBEKBN-SZMVWBNQSA-N 2 2 331.460 1.534 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1)c1ccccc1 ZINC000284430770 274199443 /nfs/dbraw/zinc/19/94/43/274199443.db2.gz JGHQTIJFQDSUAL-BZSNNMDCSA-N 2 2 331.460 1.611 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1)c1ccccc1 ZINC000284430770 274199444 /nfs/dbraw/zinc/19/94/44/274199444.db2.gz JGHQTIJFQDSUAL-BZSNNMDCSA-N 2 2 331.460 1.611 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccccc1 ZINC000284430770 274199445 /nfs/dbraw/zinc/19/94/45/274199445.db2.gz JGHQTIJFQDSUAL-BZSNNMDCSA-N 2 2 331.460 1.611 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccccc1 ZINC000284430770 274199446 /nfs/dbraw/zinc/19/94/46/274199446.db2.gz JGHQTIJFQDSUAL-BZSNNMDCSA-N 2 2 331.460 1.611 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423151666 276290006 /nfs/dbraw/zinc/29/00/06/276290006.db2.gz KLGZHERYMQIACL-QZTJIDSGSA-N 2 2 345.487 1.924 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423151666 276290007 /nfs/dbraw/zinc/29/00/07/276290007.db2.gz KLGZHERYMQIACL-QZTJIDSGSA-N 2 2 345.487 1.924 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000334065432 276335760 /nfs/dbraw/zinc/33/57/60/276335760.db2.gz ZPUHEYDEMOHIPF-GJZGRUSLSA-N 2 2 336.484 1.149 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc(C)[nH+]cc3C)C2)CC1 ZINC000367209237 276385793 /nfs/dbraw/zinc/38/57/93/276385793.db2.gz NWEKFGLTLVUWOL-MRXNPFEDSA-N 2 2 331.464 1.364 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000338160650 276818671 /nfs/dbraw/zinc/81/86/71/276818671.db2.gz VBMGXCAUGNUXGJ-INIZCTEOSA-N 2 2 337.439 1.655 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCc4n[nH]cc43)C2)CC1 ZINC000366036174 277027424 /nfs/dbraw/zinc/02/74/24/277027424.db2.gz YMCDOFNXRVOIDF-UKRRQHHQSA-N 2 2 331.464 1.114 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCc4n[nH]cc43)C2)CC1 ZINC000366036174 277027425 /nfs/dbraw/zinc/02/74/25/277027425.db2.gz YMCDOFNXRVOIDF-UKRRQHHQSA-N 2 2 331.464 1.114 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000245419382 277044980 /nfs/dbraw/zinc/04/49/80/277044980.db2.gz LSWUDXFKKJPNFE-SJORKVTESA-N 2 2 345.491 1.389 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000245419382 277044982 /nfs/dbraw/zinc/04/49/82/277044982.db2.gz LSWUDXFKKJPNFE-SJORKVTESA-N 2 2 345.491 1.389 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246982177 277169811 /nfs/dbraw/zinc/16/98/11/277169811.db2.gz VXHNKPDNILQIRI-DZGCQCFKSA-N 2 2 336.480 1.559 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246982177 277169812 /nfs/dbraw/zinc/16/98/12/277169812.db2.gz VXHNKPDNILQIRI-DZGCQCFKSA-N 2 2 336.480 1.559 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246982177 277169815 /nfs/dbraw/zinc/16/98/15/277169815.db2.gz VXHNKPDNILQIRI-DZGCQCFKSA-N 2 2 336.480 1.559 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246982177 277169817 /nfs/dbraw/zinc/16/98/17/277169817.db2.gz VXHNKPDNILQIRI-DZGCQCFKSA-N 2 2 336.480 1.559 20 0 EDADLP C[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333940072 278198835 /nfs/dbraw/zinc/19/88/35/278198835.db2.gz NTRVAIKCYCVMPM-BRWVUGGUSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554363 278215013 /nfs/dbraw/zinc/21/50/13/278215013.db2.gz WDEFYVQPCMNLTN-SCLBCKFNSA-N 2 2 331.416 1.470 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554363 278215015 /nfs/dbraw/zinc/21/50/15/278215015.db2.gz WDEFYVQPCMNLTN-SCLBCKFNSA-N 2 2 331.416 1.470 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363208237 278252883 /nfs/dbraw/zinc/25/28/83/278252883.db2.gz RCTAVKBPTQDTPM-HNNXBMFYSA-N 2 2 342.447 1.941 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000417430955 278332367 /nfs/dbraw/zinc/33/23/67/278332367.db2.gz YPDFSEWPQDPTSY-HNNXBMFYSA-N 2 2 326.485 1.304 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000417430955 278332370 /nfs/dbraw/zinc/33/23/70/278332370.db2.gz YPDFSEWPQDPTSY-HNNXBMFYSA-N 2 2 326.485 1.304 20 0 EDADLP CC[C@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(=O)NC ZINC000451277622 288050850 /nfs/dbraw/zinc/05/08/50/288050850.db2.gz BJDVQUNQRLHSNL-HNNXBMFYSA-N 2 2 338.883 1.706 20 0 EDADLP Cc1nc(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000363839543 279073544 /nfs/dbraw/zinc/07/35/44/279073544.db2.gz YHEVAMIWBHVYGS-KRWDZBQOSA-N 2 2 345.491 1.642 20 0 EDADLP Cc1nc(C)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000363839543 279073545 /nfs/dbraw/zinc/07/35/45/279073545.db2.gz YHEVAMIWBHVYGS-KRWDZBQOSA-N 2 2 345.491 1.642 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371097712 279217937 /nfs/dbraw/zinc/21/79/37/279217937.db2.gz GRZSQFHVUOZXKS-ZBFHGGJFSA-N 2 2 332.448 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371097712 279217941 /nfs/dbraw/zinc/21/79/41/279217941.db2.gz GRZSQFHVUOZXKS-ZBFHGGJFSA-N 2 2 332.448 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371097712 279217943 /nfs/dbraw/zinc/21/79/43/279217943.db2.gz GRZSQFHVUOZXKS-ZBFHGGJFSA-N 2 2 332.448 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371097712 279217946 /nfs/dbraw/zinc/21/79/46/279217946.db2.gz GRZSQFHVUOZXKS-ZBFHGGJFSA-N 2 2 332.448 1.556 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885374 279229759 /nfs/dbraw/zinc/22/97/59/279229759.db2.gz ONTWADBWVRWYPN-IAGOWNOFSA-N 3 2 336.524 1.536 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885374 279229763 /nfs/dbraw/zinc/22/97/63/279229763.db2.gz ONTWADBWVRWYPN-IAGOWNOFSA-N 3 2 336.524 1.536 20 0 EDADLP CC[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000344861496 279262494 /nfs/dbraw/zinc/26/24/94/279262494.db2.gz ZGHXGGQRBWHESJ-QFBILLFUSA-N 3 2 345.491 1.689 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422893478 279363674 /nfs/dbraw/zinc/36/36/74/279363674.db2.gz QSJBKRYXDYCWAV-ROUUACIJSA-N 3 2 330.520 1.912 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C[C@@H](C)O ZINC000345329608 280356921 /nfs/dbraw/zinc/35/69/21/280356921.db2.gz SFLRPLNIDBIZBD-GDBMZVCRSA-N 2 2 349.479 1.206 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@H+]1C[C@@H](C)O ZINC000345329608 280356923 /nfs/dbraw/zinc/35/69/23/280356923.db2.gz SFLRPLNIDBIZBD-GDBMZVCRSA-N 2 2 349.479 1.206 20 0 EDADLP Cc1ccc(N2CCC[C@@H](C(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2)[nH+]c1 ZINC000366059073 280867626 /nfs/dbraw/zinc/86/76/26/280867626.db2.gz JQRKSXMLZIVPQP-IAGOWNOFSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000287610934 288276688 /nfs/dbraw/zinc/27/66/88/288276688.db2.gz ZJFRSFMEBFQJHS-HOTGVXAUSA-N 2 2 347.463 1.388 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC000346642813 281216382 /nfs/dbraw/zinc/21/63/82/281216382.db2.gz MFDPNHPCIJDABC-IBGZPJMESA-N 2 2 332.492 1.617 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1 ZINC000346642813 281216384 /nfs/dbraw/zinc/21/63/84/281216384.db2.gz MFDPNHPCIJDABC-IBGZPJMESA-N 2 2 332.492 1.617 20 0 EDADLP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000287796931 288325477 /nfs/dbraw/zinc/32/54/77/288325477.db2.gz OHPVZQRLAMREAH-AEFFLSMTSA-N 2 2 338.879 1.898 20 0 EDADLP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000287796931 288325480 /nfs/dbraw/zinc/32/54/80/288325480.db2.gz OHPVZQRLAMREAH-AEFFLSMTSA-N 2 2 338.879 1.898 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000288548636 288512239 /nfs/dbraw/zinc/51/22/39/288512239.db2.gz VMXFHNGDBLSYQG-GOEBONIOSA-N 2 2 325.416 1.966 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000289950383 288809563 /nfs/dbraw/zinc/80/95/63/288809563.db2.gz PDWQEHIORPFOSL-LBPRGKRZSA-N 2 2 340.449 1.348 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(C)c1O ZINC000290211672 288859003 /nfs/dbraw/zinc/85/90/03/288859003.db2.gz DXFIVSSHNVUDKO-QGZVFWFLSA-N 2 2 347.459 1.032 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000290597165 288922595 /nfs/dbraw/zinc/92/25/95/288922595.db2.gz OWTBLFQPQXVMJB-SZMVWBNQSA-N 2 2 330.476 1.921 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CCn2c[nH+]cc2C1 ZINC000291303940 289034341 /nfs/dbraw/zinc/03/43/41/289034341.db2.gz PCKUZOQGAQLIMT-UHFFFAOYSA-N 2 2 340.431 1.468 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)C1CC1 ZINC000345028280 289052021 /nfs/dbraw/zinc/05/20/21/289052021.db2.gz KTLFMSZEXGZJEI-CQSZACIVSA-N 2 2 335.452 1.281 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292138027 289270863 /nfs/dbraw/zinc/27/08/63/289270863.db2.gz MAMFKVVAMJICQF-OXQOHEQNSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292138027 289270864 /nfs/dbraw/zinc/27/08/64/289270864.db2.gz MAMFKVVAMJICQF-OXQOHEQNSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292138027 289270865 /nfs/dbraw/zinc/27/08/65/289270865.db2.gz MAMFKVVAMJICQF-OXQOHEQNSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292138027 289270866 /nfs/dbraw/zinc/27/08/66/289270866.db2.gz MAMFKVVAMJICQF-OXQOHEQNSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)c1c(F)cccc1F ZINC000417665459 289355707 /nfs/dbraw/zinc/35/57/07/289355707.db2.gz YRFJXAFBFZPCMQ-CQSZACIVSA-N 2 2 340.418 1.961 20 0 EDADLP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000358070968 290183993 /nfs/dbraw/zinc/18/39/93/290183993.db2.gz WRHFHQWVHDNCHT-PKOBYXMFSA-N 2 2 349.450 1.363 20 0 EDADLP C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000358070968 290183995 /nfs/dbraw/zinc/18/39/95/290183995.db2.gz WRHFHQWVHDNCHT-PKOBYXMFSA-N 2 2 349.450 1.363 20 0 EDADLP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000358070968 290183996 /nfs/dbraw/zinc/18/39/96/290183996.db2.gz WRHFHQWVHDNCHT-PKOBYXMFSA-N 2 2 349.450 1.363 20 0 EDADLP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000358070968 290183998 /nfs/dbraw/zinc/18/39/98/290183998.db2.gz WRHFHQWVHDNCHT-PKOBYXMFSA-N 2 2 349.450 1.363 20 0 EDADLP COc1ccc(Br)c(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662284712 453008540 /nfs/dbraw/zinc/00/85/40/453008540.db2.gz OYCKTSVYRHJTND-UHFFFAOYSA-N 2 2 329.238 1.662 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000351808574 298268956 /nfs/dbraw/zinc/26/89/56/298268956.db2.gz GVMVFHUAGOCMMY-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000351808574 298268960 /nfs/dbraw/zinc/26/89/60/298268960.db2.gz GVMVFHUAGOCMMY-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417601622 298397735 /nfs/dbraw/zinc/39/77/35/298397735.db2.gz MCPXWGXFHSZQNH-SJLPKXTDSA-N 2 2 348.491 1.357 20 0 EDADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000344891773 298927592 /nfs/dbraw/zinc/92/75/92/298927592.db2.gz UUUGHDSCUYRAFB-SIIHOXLZSA-N 2 2 342.447 1.489 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369428563 300311267 /nfs/dbraw/zinc/31/12/67/300311267.db2.gz VCDRMIZGHLNCBF-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369428563 300311271 /nfs/dbraw/zinc/31/12/71/300311271.db2.gz VCDRMIZGHLNCBF-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[NH+]2CCCC[C@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000369428563 300311272 /nfs/dbraw/zinc/31/12/72/300311272.db2.gz VCDRMIZGHLNCBF-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[NH+]2CCCC[C@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000369428563 300311276 /nfs/dbraw/zinc/31/12/76/300311276.db2.gz VCDRMIZGHLNCBF-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000352551972 300347203 /nfs/dbraw/zinc/34/72/03/300347203.db2.gz QQBPMHNNDUHAMG-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000352551972 300347206 /nfs/dbraw/zinc/34/72/06/300347206.db2.gz QQBPMHNNDUHAMG-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[N@H+](C)CC(C)(C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664538940 453179039 /nfs/dbraw/zinc/17/90/39/453179039.db2.gz KKBIYYFZGOGYNS-UHFFFAOYSA-N 3 2 341.544 1.432 20 0 EDADLP CCC[N@@H+](C)CC(C)(C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664538940 453179047 /nfs/dbraw/zinc/17/90/47/453179047.db2.gz KKBIYYFZGOGYNS-UHFFFAOYSA-N 3 2 341.544 1.432 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420003518 304725059 /nfs/dbraw/zinc/72/50/59/304725059.db2.gz VCLFPDROPPUDTB-GOSISDBHSA-N 2 2 332.448 1.554 20 0 EDADLP COCCOc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1Cl ZINC000653075560 453254630 /nfs/dbraw/zinc/25/46/30/453254630.db2.gz RCSQMWHGCLXZPQ-ZDUSSCGKSA-N 2 2 329.828 1.583 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COc3cccnc3)CC2)CC1 ZINC000422029028 447315662 /nfs/dbraw/zinc/31/56/62/447315662.db2.gz YZJZXVSVDQZUIX-UHFFFAOYSA-N 2 2 346.475 1.479 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COc3cccnc3)CC2)CC1 ZINC000422029028 447315669 /nfs/dbraw/zinc/31/56/69/447315669.db2.gz YZJZXVSVDQZUIX-UHFFFAOYSA-N 2 2 346.475 1.479 20 0 EDADLP COCCOC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000294989045 303159910 /nfs/dbraw/zinc/15/99/10/303159910.db2.gz QDMYNFNTUUNCPK-DLBZAZTESA-N 2 2 347.459 1.833 20 0 EDADLP COCCOC[C@H](O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000294989045 303159912 /nfs/dbraw/zinc/15/99/12/303159912.db2.gz QDMYNFNTUUNCPK-DLBZAZTESA-N 2 2 347.459 1.833 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)C[C@H]1CC ZINC000295144274 303178959 /nfs/dbraw/zinc/17/89/59/303178959.db2.gz IZIDNXZPTAANQL-AEFFLSMTSA-N 2 2 333.476 1.954 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)C[C@H]1CC ZINC000295144274 303178960 /nfs/dbraw/zinc/17/89/60/303178960.db2.gz IZIDNXZPTAANQL-AEFFLSMTSA-N 2 2 333.476 1.954 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000296610233 303326224 /nfs/dbraw/zinc/32/62/24/303326224.db2.gz ZCEDLGZJJBKTBB-GOSISDBHSA-N 2 2 346.475 1.102 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@@H+]1C[C@H](C)O ZINC000296747637 303335526 /nfs/dbraw/zinc/33/55/26/303335526.db2.gz DKGLUJAAZNGVPY-GOEBONIOSA-N 2 2 345.447 1.952 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@H+]1C[C@H](C)O ZINC000296747637 303335527 /nfs/dbraw/zinc/33/55/27/303335527.db2.gz DKGLUJAAZNGVPY-GOEBONIOSA-N 2 2 345.447 1.952 20 0 EDADLP Cc1cc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cn2cc[nH+]c12 ZINC000297022784 303354546 /nfs/dbraw/zinc/35/45/46/303354546.db2.gz QNFRELMBPSFCIW-UHFFFAOYSA-N 2 2 344.463 1.790 20 0 EDADLP Cc1cc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn2cc[nH+]c12 ZINC000297022784 303354549 /nfs/dbraw/zinc/35/45/49/303354549.db2.gz QNFRELMBPSFCIW-UHFFFAOYSA-N 2 2 344.463 1.790 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414863551 447332858 /nfs/dbraw/zinc/33/28/58/447332858.db2.gz AVJBNUCIPRUXLA-BLLLJJGKSA-N 2 2 330.432 1.704 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000299542145 303625941 /nfs/dbraw/zinc/62/59/41/303625941.db2.gz VWSKNRQYLOWRLD-FZKQIMNGSA-N 2 2 348.447 1.655 20 0 EDADLP CC1CCC(O)(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CC1 ZINC000304359736 303754242 /nfs/dbraw/zinc/75/42/42/303754242.db2.gz XQOVWNRAPRNBEJ-UHFFFAOYSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422703655 304878734 /nfs/dbraw/zinc/87/87/34/304878734.db2.gz NQHJVOCXPFEBFC-XJKCOSOUSA-N 2 2 325.478 1.728 20 0 EDADLP O=C(C1CCC1)N(CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000422961766 304881143 /nfs/dbraw/zinc/88/11/43/304881143.db2.gz ZVGRYLBZNSXTMD-QZTJIDSGSA-N 2 2 335.492 1.524 20 0 EDADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccc(F)c(F)c1 ZINC000423078279 304884491 /nfs/dbraw/zinc/88/44/91/304884491.db2.gz OALVCSYSICOJJR-MORSLUCNSA-N 2 2 340.414 1.472 20 0 EDADLP CC(C)(C)C(=O)N1CCC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000423234516 304890134 /nfs/dbraw/zinc/89/01/34/304890134.db2.gz PUOQOSSZFWVMGP-UHFFFAOYSA-N 2 2 345.491 1.940 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)cc1 ZINC000423300470 304891775 /nfs/dbraw/zinc/89/17/75/304891775.db2.gz DYIBLBZSMBSYAJ-GOSISDBHSA-N 2 2 331.460 1.857 20 0 EDADLP O=C(COC1CC[NH2+]CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000423310048 304892079 /nfs/dbraw/zinc/89/20/79/304892079.db2.gz RFCHJMDWEQQRAJ-UHFFFAOYSA-N 2 2 338.477 1.836 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3CCC[NH2+][C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000423310820 304892115 /nfs/dbraw/zinc/89/21/15/304892115.db2.gz OOBLBHBXIJCCJP-HOTGVXAUSA-N 2 2 345.491 1.945 20 0 EDADLP COC[C@]1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000423747797 304908056 /nfs/dbraw/zinc/90/80/56/304908056.db2.gz SUKXFNNEJJMJRV-KXBFYZLASA-N 2 2 349.450 1.657 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]([NH3+])C(C)C)c2)CC1 ZINC000423836074 304911563 /nfs/dbraw/zinc/91/15/63/304911563.db2.gz GEKRGAHWCNMGFP-QGZVFWFLSA-N 2 2 332.448 1.273 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428039017 305005015 /nfs/dbraw/zinc/00/50/15/305005015.db2.gz BKXOVHSROHVJOW-AEFFLSMTSA-N 2 2 331.460 1.774 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428039017 305005016 /nfs/dbraw/zinc/00/50/16/305005016.db2.gz BKXOVHSROHVJOW-AEFFLSMTSA-N 2 2 331.460 1.774 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000428040455 305005067 /nfs/dbraw/zinc/00/50/67/305005067.db2.gz JYJJMDYRAFTOIW-FUHWJXTLSA-N 2 2 330.476 1.313 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000428040455 305005068 /nfs/dbraw/zinc/00/50/68/305005068.db2.gz JYJJMDYRAFTOIW-FUHWJXTLSA-N 2 2 330.476 1.313 20 0 EDADLP C[C@H]([NH3+])C1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000428899110 305019673 /nfs/dbraw/zinc/01/96/73/305019673.db2.gz BMOCZTDGFBSQAS-HNNXBMFYSA-N 2 2 331.460 1.718 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000430610048 305058710 /nfs/dbraw/zinc/05/87/10/305058710.db2.gz JQBQAPREAAIQIM-ZIAGYGMSSA-N 2 2 339.430 1.943 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000430610048 305058711 /nfs/dbraw/zinc/05/87/11/305058711.db2.gz JQBQAPREAAIQIM-ZIAGYGMSSA-N 2 2 339.430 1.943 20 0 EDADLP [NH3+]CC1CC[NH+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CC1 ZINC000430619041 305059330 /nfs/dbraw/zinc/05/93/30/305059330.db2.gz YRFMIMKMIBRBBV-UHFFFAOYSA-N 3 2 337.493 1.348 20 0 EDADLP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000430621119 305059546 /nfs/dbraw/zinc/05/95/46/305059546.db2.gz CZEMLKMFGWUEGU-UHFFFAOYSA-N 2 2 331.460 1.678 20 0 EDADLP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000430621119 305059547 /nfs/dbraw/zinc/05/95/47/305059547.db2.gz CZEMLKMFGWUEGU-UHFFFAOYSA-N 2 2 331.460 1.678 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC([NH3+])CC2)cc1OC ZINC000430647825 305061309 /nfs/dbraw/zinc/06/13/09/305061309.db2.gz QOYIVAKFORPACT-CYBMUJFWSA-N 2 2 335.448 1.474 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000430734428 305063684 /nfs/dbraw/zinc/06/36/84/305063684.db2.gz VUHYUEVWUNEXRZ-INIZCTEOSA-N 2 2 328.416 1.268 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2cc(OC)ccc2OC)C1 ZINC000430928059 305068598 /nfs/dbraw/zinc/06/85/98/305068598.db2.gz SKQWKGBOTDOXOH-ZIAGYGMSSA-N 2 2 335.448 1.422 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2cc(OC)ccc2OC)C1 ZINC000430928059 305068599 /nfs/dbraw/zinc/06/85/99/305068599.db2.gz SKQWKGBOTDOXOH-ZIAGYGMSSA-N 2 2 335.448 1.422 20 0 EDADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H](C)[NH2+]1 ZINC000430947564 305069991 /nfs/dbraw/zinc/06/99/91/305069991.db2.gz FADUFIFWKSMMMA-GASCZTMLSA-N 2 2 336.505 1.075 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(OC(C)C)cc2)C1 ZINC000430958893 305070895 /nfs/dbraw/zinc/07/08/95/305070895.db2.gz ZTRZHHDHINMFCQ-KRWDZBQOSA-N 2 2 333.476 1.674 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(OC(C)C)cc2)C1 ZINC000430958893 305070896 /nfs/dbraw/zinc/07/08/96/305070896.db2.gz ZTRZHHDHINMFCQ-KRWDZBQOSA-N 2 2 333.476 1.674 20 0 EDADLP C[C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000431008256 305072587 /nfs/dbraw/zinc/07/25/87/305072587.db2.gz YMHFTUWZOLKNIQ-YOEHRIQHSA-N 2 2 327.432 1.390 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C[NH3+])C(C)C)CC2)cc1 ZINC000433121183 305100819 /nfs/dbraw/zinc/10/08/19/305100819.db2.gz QQRZRHOVDXJLHY-GOSISDBHSA-N 2 2 333.476 1.960 20 0 EDADLP CC[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)[NH+](CC)CC ZINC000434669864 305126833 /nfs/dbraw/zinc/12/68/33/305126833.db2.gz MZXFTMZSKJQDIP-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)[NH+](CC)CC ZINC000434669864 305126834 /nfs/dbraw/zinc/12/68/34/305126834.db2.gz MZXFTMZSKJQDIP-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)c1nn(C)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000435192235 305136839 /nfs/dbraw/zinc/13/68/39/305136839.db2.gz PWTQHEHJTVGXFT-UHFFFAOYSA-N 2 2 336.484 1.691 20 0 EDADLP c1ccc(CN(CCC[NH+]2CCOCC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435618388 305143451 /nfs/dbraw/zinc/14/34/51/305143451.db2.gz QOFRFKUTBMMREC-LJQANCHMSA-N 2 2 332.492 1.748 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)[C@H]1CCC[NH2+]CC1 ZINC000435618894 305143552 /nfs/dbraw/zinc/14/35/52/305143552.db2.gz RPVHGHAHEFJKGD-GJZGRUSLSA-N 2 2 333.432 1.017 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)[C@H]1CCC[NH2+]CC1 ZINC000435618894 305143553 /nfs/dbraw/zinc/14/35/53/305143553.db2.gz RPVHGHAHEFJKGD-GJZGRUSLSA-N 2 2 333.432 1.017 20 0 EDADLP C[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435622902 305143735 /nfs/dbraw/zinc/14/37/35/305143735.db2.gz SWCPYVBTVKZZLX-KRWDZBQOSA-N 2 2 341.459 1.562 20 0 EDADLP C[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435622902 305143736 /nfs/dbraw/zinc/14/37/36/305143736.db2.gz SWCPYVBTVKZZLX-KRWDZBQOSA-N 2 2 341.459 1.562 20 0 EDADLP CCO[C@H](C)c1nc(CN2CC[NH+](CCC[NH2+]C)CC2)cs1 ZINC000435883881 305148927 /nfs/dbraw/zinc/14/89/27/305148927.db2.gz CDTOHXXVENUMRN-CQSZACIVSA-N 2 2 326.510 1.968 20 0 EDADLP C[C@H]1[NH2+]CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000436054371 305151520 /nfs/dbraw/zinc/15/15/20/305151520.db2.gz VIJLNCKZDIKFBV-CVEARBPZSA-N 2 2 346.475 1.140 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@@H]1C ZINC000441088075 305217060 /nfs/dbraw/zinc/21/70/60/305217060.db2.gz INRVKRAUDGPGTQ-KBPBESRZSA-N 2 2 343.431 1.522 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@@H]1C ZINC000441088075 305217061 /nfs/dbraw/zinc/21/70/61/305217061.db2.gz INRVKRAUDGPGTQ-KBPBESRZSA-N 2 2 343.431 1.522 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759713 305229813 /nfs/dbraw/zinc/22/98/13/305229813.db2.gz LOYYTZPCKYRBON-RDBSUJKOSA-N 2 2 333.432 1.844 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442759713 305229814 /nfs/dbraw/zinc/22/98/14/305229814.db2.gz LOYYTZPCKYRBON-RDBSUJKOSA-N 2 2 333.432 1.844 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c[nH+]1 ZINC000446270840 305262261 /nfs/dbraw/zinc/26/22/61/305262261.db2.gz HPTSCBZXUNAAOT-QIIPPGSGSA-N 2 2 332.448 1.296 20 0 EDADLP Cc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000447786484 305285919 /nfs/dbraw/zinc/28/59/19/305285919.db2.gz JUYSDKGFWAASHO-UHFFFAOYSA-N 2 2 340.493 1.037 20 0 EDADLP Cc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000447786484 305285920 /nfs/dbraw/zinc/28/59/20/305285920.db2.gz JUYSDKGFWAASHO-UHFFFAOYSA-N 2 2 340.493 1.037 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)[NH+]2CCOCC2)s1 ZINC000449141435 305307691 /nfs/dbraw/zinc/30/76/91/305307691.db2.gz LLBMBKQVJJAPJA-HIFRSBDPSA-N 2 2 337.489 1.687 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(I)cc1 ZINC000449247036 305309598 /nfs/dbraw/zinc/30/95/98/305309598.db2.gz DNCDVHOIAQCVSU-UHFFFAOYSA-N 2 2 348.228 1.695 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(I)cc1 ZINC000449247036 305309599 /nfs/dbraw/zinc/30/95/99/305309599.db2.gz DNCDVHOIAQCVSU-UHFFFAOYSA-N 2 2 348.228 1.695 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449731296 305318182 /nfs/dbraw/zinc/31/81/82/305318182.db2.gz VFJYMWMCKRZYRA-XQHKEYJVSA-N 2 2 339.402 1.516 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449731296 305318183 /nfs/dbraw/zinc/31/81/83/305318183.db2.gz VFJYMWMCKRZYRA-XQHKEYJVSA-N 2 2 339.402 1.516 20 0 EDADLP CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000451251427 305335586 /nfs/dbraw/zinc/33/55/86/305335586.db2.gz HNMORTCPGUFWFO-MOPGFXCFSA-N 2 2 345.487 1.424 20 0 EDADLP CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000451251427 305335587 /nfs/dbraw/zinc/33/55/87/305335587.db2.gz HNMORTCPGUFWFO-MOPGFXCFSA-N 2 2 345.487 1.424 20 0 EDADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000451548173 305352472 /nfs/dbraw/zinc/35/24/72/305352472.db2.gz RRPSYGFYUKHIMT-PKOBYXMFSA-N 2 2 345.487 1.688 20 0 EDADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000451548173 305352473 /nfs/dbraw/zinc/35/24/73/305352473.db2.gz RRPSYGFYUKHIMT-PKOBYXMFSA-N 2 2 345.487 1.688 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000452387787 305397085 /nfs/dbraw/zinc/39/70/85/305397085.db2.gz ICOVDGQLQQVTNB-KRWDZBQOSA-N 2 2 328.416 1.449 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000452387787 305397086 /nfs/dbraw/zinc/39/70/86/305397086.db2.gz ICOVDGQLQQVTNB-KRWDZBQOSA-N 2 2 328.416 1.449 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425892763 447352287 /nfs/dbraw/zinc/35/22/87/447352287.db2.gz ACAWTAMHXAIVEK-RBUKOAKNSA-N 3 2 348.491 1.609 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cc(C(N)=O)co3)c2cc1C ZINC000516052053 305731720 /nfs/dbraw/zinc/73/17/20/305731720.db2.gz PRHDKUDUTPDEFO-CQSZACIVSA-N 2 2 342.399 1.496 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523115847 305807915 /nfs/dbraw/zinc/80/79/15/305807915.db2.gz DFLOJXRZPUYYAR-RBSFLKMASA-N 2 2 342.447 1.759 20 0 EDADLP CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000425911590 447358078 /nfs/dbraw/zinc/35/80/78/447358078.db2.gz BMBWFXDOOIXJNS-LJQANCHMSA-N 2 2 347.459 1.304 20 0 EDADLP CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000425911590 447358083 /nfs/dbraw/zinc/35/80/83/447358083.db2.gz BMBWFXDOOIXJNS-LJQANCHMSA-N 2 2 347.459 1.304 20 0 EDADLP Cc1cc([C@@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)on1 ZINC000534338755 306006264 /nfs/dbraw/zinc/00/62/64/306006264.db2.gz KEDRPYHIFSZIII-INIZCTEOSA-N 2 2 342.447 1.862 20 0 EDADLP Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)on1 ZINC000534338755 306006265 /nfs/dbraw/zinc/00/62/65/306006265.db2.gz KEDRPYHIFSZIII-INIZCTEOSA-N 2 2 342.447 1.862 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000535061818 306011866 /nfs/dbraw/zinc/01/18/66/306011866.db2.gz PBOVTHAXGKTMRG-AWEZNQCLSA-N 2 2 334.420 1.221 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCCCCn3cc[nH+]c3)ccc2[nH+]1 ZINC000538075203 306030079 /nfs/dbraw/zinc/03/00/79/306030079.db2.gz DXFQDGGZLSJYDZ-UHFFFAOYSA-N 2 2 340.387 1.374 20 0 EDADLP CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000539775203 306036530 /nfs/dbraw/zinc/03/65/30/306036530.db2.gz IIBGZXSORAQPRP-MRXNPFEDSA-N 2 2 348.472 1.646 20 0 EDADLP CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000539775203 306036531 /nfs/dbraw/zinc/03/65/31/306036531.db2.gz IIBGZXSORAQPRP-MRXNPFEDSA-N 2 2 348.472 1.646 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC000540065554 306038857 /nfs/dbraw/zinc/03/88/57/306038857.db2.gz HNBDAYNINKFJTB-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC000540065554 306038858 /nfs/dbraw/zinc/03/88/58/306038858.db2.gz HNBDAYNINKFJTB-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000544940314 306079720 /nfs/dbraw/zinc/07/97/20/306079720.db2.gz IGVDLTZMSNVAHQ-CYBMUJFWSA-N 2 2 331.445 1.970 20 0 EDADLP O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000544940314 306079721 /nfs/dbraw/zinc/07/97/21/306079721.db2.gz IGVDLTZMSNVAHQ-CYBMUJFWSA-N 2 2 331.445 1.970 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000547629779 306105688 /nfs/dbraw/zinc/10/56/88/306105688.db2.gz ZXBXXRVEPNJASS-HOTGVXAUSA-N 2 2 345.422 1.939 20 0 EDADLP C[C@H](c1cccc(NC(=O)Cc2c[nH+]cn2C)c1)[NH+]1CCOCC1 ZINC000548797161 306138550 /nfs/dbraw/zinc/13/85/50/306138550.db2.gz OPGIEPBCECNIKK-CQSZACIVSA-N 2 2 328.416 1.995 20 0 EDADLP CCNc1nc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000549143099 306144847 /nfs/dbraw/zinc/14/48/47/306144847.db2.gz CKSXNWCGMLAXTO-AWEZNQCLSA-N 2 2 347.511 1.858 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000549143099 306144848 /nfs/dbraw/zinc/14/48/48/306144848.db2.gz CKSXNWCGMLAXTO-AWEZNQCLSA-N 2 2 347.511 1.858 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000549143099 306144849 /nfs/dbraw/zinc/14/48/49/306144849.db2.gz CKSXNWCGMLAXTO-AWEZNQCLSA-N 2 2 347.511 1.858 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000554452981 306191633 /nfs/dbraw/zinc/19/16/33/306191633.db2.gz OUEYZSKZYMGAOO-UHFFFAOYSA-N 2 2 330.436 1.201 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000554499309 306193271 /nfs/dbraw/zinc/19/32/71/306193271.db2.gz NFWINIKKPXQQQL-UHFFFAOYSA-N 2 2 327.432 1.281 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)ccc2OCC2CC2)[C@@H](C[NH3+])C1 ZINC000557013811 306223245 /nfs/dbraw/zinc/22/32/45/306223245.db2.gz FKBWQFMNXSXBDG-AWEZNQCLSA-N 2 2 336.411 1.721 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(F)ccc2OCC2CC2)[C@@H](C[NH3+])C1 ZINC000557013811 306223246 /nfs/dbraw/zinc/22/32/46/306223246.db2.gz FKBWQFMNXSXBDG-AWEZNQCLSA-N 2 2 336.411 1.721 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000377816103 447370225 /nfs/dbraw/zinc/37/02/25/447370225.db2.gz CDVUHLFKKMXBBZ-CVEARBPZSA-N 2 2 343.431 1.787 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000377816103 447370229 /nfs/dbraw/zinc/37/02/29/447370229.db2.gz CDVUHLFKKMXBBZ-CVEARBPZSA-N 2 2 343.431 1.787 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000377816106 447370703 /nfs/dbraw/zinc/37/07/03/447370703.db2.gz CDVUHLFKKMXBBZ-JKSUJKDBSA-N 2 2 343.431 1.787 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000377816106 447370711 /nfs/dbraw/zinc/37/07/11/447370711.db2.gz CDVUHLFKKMXBBZ-JKSUJKDBSA-N 2 2 343.431 1.787 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)CCC(F)(F)F ZINC000426010114 447377677 /nfs/dbraw/zinc/37/76/77/447377677.db2.gz JNBNBZJVKQWNPG-LBPRGKRZSA-N 2 2 347.385 1.771 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)CCC(F)(F)F ZINC000426010114 447377683 /nfs/dbraw/zinc/37/76/83/447377683.db2.gz JNBNBZJVKQWNPG-LBPRGKRZSA-N 2 2 347.385 1.771 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1Cl ZINC000657071771 453661106 /nfs/dbraw/zinc/66/11/06/453661106.db2.gz DLXWPCPALFOUPN-ZDUSSCGKSA-N 2 2 347.912 1.890 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1Cl ZINC000657071771 453661107 /nfs/dbraw/zinc/66/11/07/453661107.db2.gz DLXWPCPALFOUPN-ZDUSSCGKSA-N 2 2 347.912 1.890 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC[C@H]1O ZINC000426246087 447406366 /nfs/dbraw/zinc/40/63/66/447406366.db2.gz YMIHHTCXVMWVDT-IAGOWNOFSA-N 2 2 346.475 1.356 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC[C@H]1O ZINC000426246087 447406372 /nfs/dbraw/zinc/40/63/72/447406372.db2.gz YMIHHTCXVMWVDT-IAGOWNOFSA-N 2 2 346.475 1.356 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)[C@H](C[NH3+])C1 ZINC000493835993 447406878 /nfs/dbraw/zinc/40/68/78/447406878.db2.gz LBOPZJQEYSGJJQ-VMZHVLLKSA-N 2 2 339.852 1.164 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C3CC3)CC2)cn1 ZINC000426375205 447428351 /nfs/dbraw/zinc/42/83/51/447428351.db2.gz AMTZUOINUWKLTE-QGZVFWFLSA-N 2 2 331.464 1.081 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C3CC3)CC2)cn1 ZINC000426375205 447428354 /nfs/dbraw/zinc/42/83/54/447428354.db2.gz AMTZUOINUWKLTE-QGZVFWFLSA-N 2 2 331.464 1.081 20 0 EDADLP Cn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)cn1 ZINC000426375205 447428359 /nfs/dbraw/zinc/42/83/59/447428359.db2.gz AMTZUOINUWKLTE-QGZVFWFLSA-N 2 2 331.464 1.081 20 0 EDADLP Cn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)cn1 ZINC000426375205 447428363 /nfs/dbraw/zinc/42/83/63/447428363.db2.gz AMTZUOINUWKLTE-QGZVFWFLSA-N 2 2 331.464 1.081 20 0 EDADLP C[NH+]1CCN(C(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)CC1 ZINC000006739427 441010763 /nfs/dbraw/zinc/01/07/63/441010763.db2.gz OECBPLNGQBKWOQ-UHFFFAOYSA-N 2 2 327.432 1.553 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000046098954 441082292 /nfs/dbraw/zinc/08/22/92/441082292.db2.gz HZYVQZWJUIULMH-HNNXBMFYSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000046098954 441082295 /nfs/dbraw/zinc/08/22/95/441082295.db2.gz HZYVQZWJUIULMH-HNNXBMFYSA-N 2 2 342.447 1.941 20 0 EDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000080629642 441185118 /nfs/dbraw/zinc/18/51/18/441185118.db2.gz XFQCNRYHZNFPNK-MRXNPFEDSA-N 2 2 338.415 1.900 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[NH+](C2CC2)CC1 ZINC000105104106 441233268 /nfs/dbraw/zinc/23/32/68/441233268.db2.gz WCTCEYXALOYWRJ-UHFFFAOYSA-N 2 2 329.448 1.671 20 0 EDADLP CC(C)C[C@@H](CNC(=O)NCCNc1cccc[nH+]1)[NH+]1CCOCC1 ZINC000047500792 441196936 /nfs/dbraw/zinc/19/69/36/441196936.db2.gz ROUMMDZBCNGWKK-INIZCTEOSA-N 2 2 349.479 1.540 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000104796711 441211522 /nfs/dbraw/zinc/21/15/22/441211522.db2.gz FPTGFLDSXYNJHV-SJORKVTESA-N 2 2 334.464 1.228 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000104796711 441211525 /nfs/dbraw/zinc/21/15/25/441211525.db2.gz FPTGFLDSXYNJHV-SJORKVTESA-N 2 2 334.464 1.228 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047966065 441244275 /nfs/dbraw/zinc/24/42/75/441244275.db2.gz HWEDBYOUXZMZDZ-RDJZCZTQSA-N 2 2 327.432 1.845 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047966065 441244281 /nfs/dbraw/zinc/24/42/81/441244281.db2.gz HWEDBYOUXZMZDZ-RDJZCZTQSA-N 2 2 327.432 1.845 20 0 EDADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC000081264331 441245844 /nfs/dbraw/zinc/24/58/44/441245844.db2.gz WQNDLBCLXHMHTM-UHFFFAOYSA-N 2 2 330.432 1.920 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCCCCNc1cccc[nH+]1)[NH+]1CCOCC1 ZINC000105299069 441249346 /nfs/dbraw/zinc/24/93/46/441249346.db2.gz KXOSHVGUDJNPGB-JKSUJKDBSA-N 2 2 349.479 1.682 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000105298101 441249444 /nfs/dbraw/zinc/24/94/44/441249444.db2.gz QCWNBXPQSNERRU-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP CN(C)c1nc(NC2CCN(CC[NH+](C)C)CC2)[nH+]c2ccccc21 ZINC000450251515 447439264 /nfs/dbraw/zinc/43/92/64/447439264.db2.gz VBCNSKOKCHYXAI-UHFFFAOYSA-N 2 2 342.491 2.134 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000106516251 441348245 /nfs/dbraw/zinc/34/82/45/441348245.db2.gz KURUEURLNKOYFT-AEFFLSMTSA-N 2 2 347.507 1.224 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631943 441298155 /nfs/dbraw/zinc/29/81/55/441298155.db2.gz LHOMDMZUCFQGQO-GDBMZVCRSA-N 2 2 338.496 1.520 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631943 441298157 /nfs/dbraw/zinc/29/81/57/441298157.db2.gz LHOMDMZUCFQGQO-GDBMZVCRSA-N 2 2 338.496 1.520 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081631943 441298160 /nfs/dbraw/zinc/29/81/60/441298160.db2.gz LHOMDMZUCFQGQO-GDBMZVCRSA-N 2 2 338.496 1.520 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081631943 441298163 /nfs/dbraw/zinc/29/81/63/441298163.db2.gz LHOMDMZUCFQGQO-GDBMZVCRSA-N 2 2 338.496 1.520 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC000106907394 441387902 /nfs/dbraw/zinc/38/79/02/441387902.db2.gz QGFVQOGEYIZWJR-QGZVFWFLSA-N 2 2 346.475 1.016 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000107371774 441414173 /nfs/dbraw/zinc/41/41/73/441414173.db2.gz AXVREGJEMFSYRM-QGZVFWFLSA-N 2 2 334.439 1.476 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000107371774 441414175 /nfs/dbraw/zinc/41/41/75/441414175.db2.gz AXVREGJEMFSYRM-QGZVFWFLSA-N 2 2 334.439 1.476 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000052291839 441446421 /nfs/dbraw/zinc/44/64/21/441446421.db2.gz GJGYNVSBKXEDRY-UHFFFAOYSA-N 2 2 328.420 1.555 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926476 441596384 /nfs/dbraw/zinc/59/63/84/441596384.db2.gz PRHMRQSFUNHFLG-INIZCTEOSA-N 2 2 330.432 1.290 20 0 EDADLP CC[N@H+](C)CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000066988299 441597295 /nfs/dbraw/zinc/59/72/95/441597295.db2.gz LIXJXWUOOWFDIM-MRXNPFEDSA-N 2 2 345.447 1.769 20 0 EDADLP CC[N@@H+](C)CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000066988299 441597297 /nfs/dbraw/zinc/59/72/97/441597297.db2.gz LIXJXWUOOWFDIM-MRXNPFEDSA-N 2 2 345.447 1.769 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCSC1 ZINC000089939475 441599992 /nfs/dbraw/zinc/59/99/92/441599992.db2.gz ZTASULUKRXWYLZ-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCSC1 ZINC000089939475 441599996 /nfs/dbraw/zinc/59/99/96/441599996.db2.gz ZTASULUKRXWYLZ-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP CCNC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000090412227 441628540 /nfs/dbraw/zinc/62/85/40/441628540.db2.gz FYIKZFVPSSJDTL-KRWDZBQOSA-N 2 2 331.464 1.439 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000114199533 441640598 /nfs/dbraw/zinc/64/05/98/441640598.db2.gz IBJIIQQAVUGDEC-MRXNPFEDSA-N 2 2 346.475 1.345 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000114199533 441640600 /nfs/dbraw/zinc/64/06/00/441640600.db2.gz IBJIIQQAVUGDEC-MRXNPFEDSA-N 2 2 346.475 1.345 20 0 EDADLP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000114381740 441650784 /nfs/dbraw/zinc/65/07/84/441650784.db2.gz QPFBCSVXFJQPLX-LJQANCHMSA-N 2 2 346.519 1.679 20 0 EDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000114381740 441650787 /nfs/dbraw/zinc/65/07/87/441650787.db2.gz QPFBCSVXFJQPLX-LJQANCHMSA-N 2 2 346.519 1.679 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477559 441662428 /nfs/dbraw/zinc/66/24/28/441662428.db2.gz XEWJOIKSZSZGCJ-QWHCGFSZSA-N 2 2 336.411 1.746 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477559 441662430 /nfs/dbraw/zinc/66/24/30/441662430.db2.gz XEWJOIKSZSZGCJ-QWHCGFSZSA-N 2 2 336.411 1.746 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000114480077 441663608 /nfs/dbraw/zinc/66/36/08/441663608.db2.gz STCOLDIFASCGNZ-HNNXBMFYSA-N 2 2 332.448 1.835 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000114480077 441663612 /nfs/dbraw/zinc/66/36/12/441663612.db2.gz STCOLDIFASCGNZ-HNNXBMFYSA-N 2 2 332.448 1.835 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000067686214 441667461 /nfs/dbraw/zinc/66/74/61/441667461.db2.gz LZBKSMUZNTUENC-INIZCTEOSA-N 2 2 331.464 1.644 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000067686214 441667462 /nfs/dbraw/zinc/66/74/62/441667462.db2.gz LZBKSMUZNTUENC-INIZCTEOSA-N 2 2 331.464 1.644 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000136972874 441736975 /nfs/dbraw/zinc/73/69/75/441736975.db2.gz XPNIGRKYTXXKRF-UHFFFAOYSA-N 2 2 341.459 1.973 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000136972874 441736981 /nfs/dbraw/zinc/73/69/81/441736981.db2.gz XPNIGRKYTXXKRF-UHFFFAOYSA-N 2 2 341.459 1.973 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)n(C)n1 ZINC000173370633 441726941 /nfs/dbraw/zinc/72/69/41/441726941.db2.gz HBDIBPXAFUSNAP-OAHLLOKOSA-N 2 2 328.420 1.367 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000115784334 441777103 /nfs/dbraw/zinc/77/71/03/441777103.db2.gz AEFSFGQAHNBXOZ-HNNXBMFYSA-N 2 2 340.418 1.961 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000173645191 441813666 /nfs/dbraw/zinc/81/36/66/441813666.db2.gz ILOUAXRUXMSDQC-AWEZNQCLSA-N 2 2 335.448 1.723 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](CCO)CC2CC2)CC1 ZINC000143229079 441870632 /nfs/dbraw/zinc/87/06/32/441870632.db2.gz VXOQTWSKCRNSPY-QGZVFWFLSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](CCO)CC2CC2)CC1 ZINC000143229079 441870640 /nfs/dbraw/zinc/87/06/40/441870640.db2.gz VXOQTWSKCRNSPY-QGZVFWFLSA-N 2 2 345.487 1.596 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@@H]21 ZINC000140002462 441829859 /nfs/dbraw/zinc/82/98/59/441829859.db2.gz RMHGBVMCVHWGHL-ZBFHGGJFSA-N 2 2 342.443 1.388 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@@H]21 ZINC000140002462 441829864 /nfs/dbraw/zinc/82/98/64/441829864.db2.gz RMHGBVMCVHWGHL-ZBFHGGJFSA-N 2 2 342.443 1.388 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@@H]21 ZINC000140002462 441829870 /nfs/dbraw/zinc/82/98/70/441829870.db2.gz RMHGBVMCVHWGHL-ZBFHGGJFSA-N 2 2 342.443 1.388 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@@H]21 ZINC000140002462 441829878 /nfs/dbraw/zinc/82/98/78/441829878.db2.gz RMHGBVMCVHWGHL-ZBFHGGJFSA-N 2 2 342.443 1.388 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000092886238 441836556 /nfs/dbraw/zinc/83/65/56/441836556.db2.gz JLZPLTSIYPGBJT-OAHLLOKOSA-N 2 2 330.436 1.739 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000092886238 441836559 /nfs/dbraw/zinc/83/65/59/441836559.db2.gz JLZPLTSIYPGBJT-OAHLLOKOSA-N 2 2 330.436 1.739 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000173865032 441852833 /nfs/dbraw/zinc/85/28/33/441852833.db2.gz NYQOPQVIBLNHFE-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000173865032 441852837 /nfs/dbraw/zinc/85/28/37/441852837.db2.gz NYQOPQVIBLNHFE-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124429772 441926294 /nfs/dbraw/zinc/92/62/94/441926294.db2.gz ZMSIGSPMYTYNFL-CABCVRRESA-N 2 2 335.452 1.610 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124429772 441926297 /nfs/dbraw/zinc/92/62/97/441926297.db2.gz ZMSIGSPMYTYNFL-CABCVRRESA-N 2 2 335.452 1.610 20 0 EDADLP CC(C)[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCS1 ZINC000174333084 441914185 /nfs/dbraw/zinc/91/41/85/441914185.db2.gz GTHASYPDVHACSO-OAHLLOKOSA-N 2 2 343.537 1.287 20 0 EDADLP CC(C)[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCS1 ZINC000174333084 441914189 /nfs/dbraw/zinc/91/41/89/441914189.db2.gz GTHASYPDVHACSO-OAHLLOKOSA-N 2 2 343.537 1.287 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000093344134 441881187 /nfs/dbraw/zinc/88/11/87/441881187.db2.gz PHZJRPYODWNNNR-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000093344134 441881190 /nfs/dbraw/zinc/88/11/90/441881190.db2.gz PHZJRPYODWNNNR-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000078480113 441935384 /nfs/dbraw/zinc/93/53/84/441935384.db2.gz UEDDORQVEVLHRU-MOPGFXCFSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000078480113 441935391 /nfs/dbraw/zinc/93/53/91/441935391.db2.gz UEDDORQVEVLHRU-MOPGFXCFSA-N 2 2 345.487 1.484 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174901577 441980723 /nfs/dbraw/zinc/98/07/23/441980723.db2.gz PXIDXDSXLYQJRF-SFHVURJKSA-N 2 2 338.540 1.785 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174901577 441980732 /nfs/dbraw/zinc/98/07/32/441980732.db2.gz PXIDXDSXLYQJRF-SFHVURJKSA-N 2 2 338.540 1.785 20 0 EDADLP C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000161676506 442022908 /nfs/dbraw/zinc/02/29/08/442022908.db2.gz SJBZNVXKDXTISZ-LZDHAAFVSA-N 2 2 339.505 1.104 20 0 EDADLP C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000161676506 442022915 /nfs/dbraw/zinc/02/29/15/442022915.db2.gz SJBZNVXKDXTISZ-LZDHAAFVSA-N 2 2 339.505 1.104 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000120555703 442093308 /nfs/dbraw/zinc/09/33/08/442093308.db2.gz HDERGLAZLJSBIE-AWEZNQCLSA-N 2 2 346.431 1.506 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2OCCc3ccccc32)CC1 ZINC000151373623 442050771 /nfs/dbraw/zinc/05/07/71/442050771.db2.gz XQTPUAWLQDVMCS-SFHVURJKSA-N 2 2 331.460 1.443 20 0 EDADLP CC[C@H](C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1)[NH+](C)C ZINC000151462226 442065400 /nfs/dbraw/zinc/06/54/00/442065400.db2.gz CJWBVGHKGDKOPP-MRXNPFEDSA-N 2 2 349.475 1.518 20 0 EDADLP COCCc1ccc(OCCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000162313199 442082183 /nfs/dbraw/zinc/08/21/83/442082183.db2.gz VHRNPSFTQWANHC-QGZVFWFLSA-N 2 2 349.475 1.136 20 0 EDADLP COCCc1ccc(OCCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000162313199 442082188 /nfs/dbraw/zinc/08/21/88/442082188.db2.gz VHRNPSFTQWANHC-QGZVFWFLSA-N 2 2 349.475 1.136 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000162642149 442111055 /nfs/dbraw/zinc/11/10/55/442111055.db2.gz DBRSKLXMAGCHGT-GJZGRUSLSA-N 2 2 337.489 1.407 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1nccs1 ZINC000126472970 442115768 /nfs/dbraw/zinc/11/57/68/442115768.db2.gz HDBYXPOAIDYUJQ-UHFFFAOYSA-N 2 2 325.482 1.039 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1nccs1 ZINC000126472970 442115771 /nfs/dbraw/zinc/11/57/71/442115771.db2.gz HDBYXPOAIDYUJQ-UHFFFAOYSA-N 2 2 325.482 1.039 20 0 EDADLP CC[N@H+](CCCNC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000120693086 442118701 /nfs/dbraw/zinc/11/87/01/442118701.db2.gz MWSPJCZSQWYQEG-SFHVURJKSA-N 2 2 336.480 1.515 20 0 EDADLP CC[N@@H+](CCCNC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000120693086 442118706 /nfs/dbraw/zinc/11/87/06/442118706.db2.gz MWSPJCZSQWYQEG-SFHVURJKSA-N 2 2 336.480 1.515 20 0 EDADLP CC[C@H](C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1)[NH+](C)C ZINC000126402600 442108146 /nfs/dbraw/zinc/10/81/46/442108146.db2.gz FNGVOUWHQANNMS-MSOLQXFVSA-N 2 2 333.476 1.825 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000163510357 442170786 /nfs/dbraw/zinc/17/07/86/442170786.db2.gz MSHSHMIGRHXZLN-GOEBONIOSA-N 2 2 347.459 1.475 20 0 EDADLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)CN1CC[NH+](C)CC1 ZINC000121082636 442175290 /nfs/dbraw/zinc/17/52/90/442175290.db2.gz MYMUXGYCPKFMHH-GOSISDBHSA-N 3 2 345.535 1.519 20 0 EDADLP C[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C[NH+]1CCOCC1 ZINC000163426487 442164800 /nfs/dbraw/zinc/16/48/00/442164800.db2.gz SZYBEJNBVSUCNI-HNNXBMFYSA-N 2 2 335.452 1.198 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000163435892 442165124 /nfs/dbraw/zinc/16/51/24/442165124.db2.gz YWXNQEIIYGPXFP-IHPCNDPISA-N 2 2 346.519 1.992 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000163435892 442165130 /nfs/dbraw/zinc/16/51/30/442165130.db2.gz YWXNQEIIYGPXFP-IHPCNDPISA-N 2 2 346.519 1.992 20 0 EDADLP COCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000163435892 442165133 /nfs/dbraw/zinc/16/51/33/442165133.db2.gz YWXNQEIIYGPXFP-IHPCNDPISA-N 2 2 346.519 1.992 20 0 EDADLP COCC[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000163435892 442165136 /nfs/dbraw/zinc/16/51/36/442165136.db2.gz YWXNQEIIYGPXFP-IHPCNDPISA-N 2 2 346.519 1.992 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000176297900 442206831 /nfs/dbraw/zinc/20/68/31/442206831.db2.gz WZSCHTCTVCULLB-CVEARBPZSA-N 2 2 325.416 1.966 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000176297900 442206833 /nfs/dbraw/zinc/20/68/33/442206833.db2.gz WZSCHTCTVCULLB-CVEARBPZSA-N 2 2 325.416 1.966 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc[nH+]c1N(C)C ZINC000176397158 442217911 /nfs/dbraw/zinc/21/79/11/442217911.db2.gz NZFXBVXBIPGRSF-CVEARBPZSA-N 2 2 331.464 1.916 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc[nH+]c1N(C)C ZINC000176397158 442217914 /nfs/dbraw/zinc/21/79/14/442217914.db2.gz NZFXBVXBIPGRSF-CVEARBPZSA-N 2 2 331.464 1.916 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129184379 442304826 /nfs/dbraw/zinc/30/48/26/442304826.db2.gz HPBDHSWWBPSZMQ-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129184379 442304829 /nfs/dbraw/zinc/30/48/29/442304829.db2.gz HPBDHSWWBPSZMQ-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377139 442333641 /nfs/dbraw/zinc/33/36/41/442333641.db2.gz PCUKCYJRZXTMGH-FUHWJXTLSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377139 442333645 /nfs/dbraw/zinc/33/36/45/442333645.db2.gz PCUKCYJRZXTMGH-FUHWJXTLSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377139 442333648 /nfs/dbraw/zinc/33/36/48/442333648.db2.gz PCUKCYJRZXTMGH-FUHWJXTLSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377139 442333650 /nfs/dbraw/zinc/33/36/50/442333650.db2.gz PCUKCYJRZXTMGH-FUHWJXTLSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[N@@H+]1C1CC1 ZINC000177207858 442313631 /nfs/dbraw/zinc/31/36/31/442313631.db2.gz JJXPBCCBJRADMY-SUMDDJOVSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[N@H+]1C1CC1 ZINC000177207858 442313634 /nfs/dbraw/zinc/31/36/34/442313634.db2.gz JJXPBCCBJRADMY-SUMDDJOVSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH+]1C1CC1 ZINC000177207858 442313637 /nfs/dbraw/zinc/31/36/37/442313637.db2.gz JJXPBCCBJRADMY-SUMDDJOVSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH+]1C1CC1 ZINC000177207858 442313639 /nfs/dbraw/zinc/31/36/39/442313639.db2.gz JJXPBCCBJRADMY-SUMDDJOVSA-N 2 2 343.471 1.629 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129469761 442317748 /nfs/dbraw/zinc/31/77/48/442317748.db2.gz GOMXYPDFULVJTF-JKSUJKDBSA-N 2 2 349.479 1.139 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129469761 442317751 /nfs/dbraw/zinc/31/77/51/442317751.db2.gz GOMXYPDFULVJTF-JKSUJKDBSA-N 2 2 349.479 1.139 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155510985 442404388 /nfs/dbraw/zinc/40/43/88/442404388.db2.gz OEDFXGSGXMBXQY-INIZCTEOSA-N 2 2 334.464 1.799 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000155510985 442404391 /nfs/dbraw/zinc/40/43/91/442404391.db2.gz OEDFXGSGXMBXQY-INIZCTEOSA-N 2 2 334.464 1.799 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000155356544 442390740 /nfs/dbraw/zinc/39/07/40/442390740.db2.gz BSPOQNATALJNSD-PBHICJAKSA-N 2 2 332.448 1.054 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000155356544 442390742 /nfs/dbraw/zinc/39/07/42/442390742.db2.gz BSPOQNATALJNSD-PBHICJAKSA-N 2 2 332.448 1.054 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000172225458 442425790 /nfs/dbraw/zinc/42/57/90/442425790.db2.gz XGSPFNPDBFIWJF-CQSZACIVSA-N 2 2 330.432 1.524 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000172225458 442425793 /nfs/dbraw/zinc/42/57/93/442425793.db2.gz XGSPFNPDBFIWJF-CQSZACIVSA-N 2 2 330.432 1.524 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)CC1 ZINC000155924286 442437081 /nfs/dbraw/zinc/43/70/81/442437081.db2.gz NINNMKHZULWRFF-CQSZACIVSA-N 2 2 340.431 1.231 20 0 EDADLP CSCC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000172432280 442460894 /nfs/dbraw/zinc/46/08/94/442460894.db2.gz LLZKDPAEUKCNIL-OAHLLOKOSA-N 2 2 339.505 1.997 20 0 EDADLP CSCC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000172432280 442460901 /nfs/dbraw/zinc/46/09/01/442460901.db2.gz LLZKDPAEUKCNIL-OAHLLOKOSA-N 2 2 339.505 1.997 20 0 EDADLP C[NH+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000172771017 442540502 /nfs/dbraw/zinc/54/05/02/442540502.db2.gz IPGXMJVHOGBWJX-QGZVFWFLSA-N 2 2 345.491 1.146 20 0 EDADLP C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172697240 442522456 /nfs/dbraw/zinc/52/24/56/442522456.db2.gz FTVDHHWNKVURAM-XEYRCQSKSA-N 2 2 343.471 1.613 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000172722172 442526038 /nfs/dbraw/zinc/52/60/38/442526038.db2.gz YVUBBCCBSJFSKC-MRXNPFEDSA-N 2 2 335.473 1.505 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000172722172 442526040 /nfs/dbraw/zinc/52/60/40/442526040.db2.gz YVUBBCCBSJFSKC-MRXNPFEDSA-N 2 2 335.473 1.505 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134861549 442529805 /nfs/dbraw/zinc/52/98/05/442529805.db2.gz WWTOJCVFMJXCKB-SQWLQELKSA-N 2 2 329.448 1.752 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134861549 442529806 /nfs/dbraw/zinc/52/98/06/442529806.db2.gz WWTOJCVFMJXCKB-SQWLQELKSA-N 2 2 329.448 1.752 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134861549 442529807 /nfs/dbraw/zinc/52/98/07/442529807.db2.gz WWTOJCVFMJXCKB-SQWLQELKSA-N 2 2 329.448 1.752 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134861549 442529809 /nfs/dbraw/zinc/52/98/09/442529809.db2.gz WWTOJCVFMJXCKB-SQWLQELKSA-N 2 2 329.448 1.752 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]1c1ccncc1)[NH+]1CCOCC1 ZINC000179117708 442575944 /nfs/dbraw/zinc/57/59/44/442575944.db2.gz VZLUEXUEMYHDGZ-KRWDZBQOSA-N 2 2 346.475 1.446 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]1c1ccncc1)[NH+]1CCOCC1 ZINC000179117708 442575946 /nfs/dbraw/zinc/57/59/46/442575946.db2.gz VZLUEXUEMYHDGZ-KRWDZBQOSA-N 2 2 346.475 1.446 20 0 EDADLP CCn1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000179162143 442586372 /nfs/dbraw/zinc/58/63/72/442586372.db2.gz VKABQKRJJHJCSS-SJPCQFCGSA-N 2 2 346.479 1.678 20 0 EDADLP CCn1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000179162143 442586376 /nfs/dbraw/zinc/58/63/76/442586376.db2.gz VKABQKRJJHJCSS-SJPCQFCGSA-N 2 2 346.479 1.678 20 0 EDADLP CCOC[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179312669 442619395 /nfs/dbraw/zinc/61/93/95/442619395.db2.gz NDTIIGUEWBTOCF-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000181047037 442677766 /nfs/dbraw/zinc/67/77/66/442677766.db2.gz CECYYPOHGPNGJH-GXTWGEPZSA-N 2 2 338.477 1.035 20 0 EDADLP COCCCOCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000181088718 442679866 /nfs/dbraw/zinc/67/98/66/442679866.db2.gz DDNKHDWWOBMNGR-UHFFFAOYSA-N 2 2 341.496 1.106 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)Cc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000192782017 442685836 /nfs/dbraw/zinc/68/58/36/442685836.db2.gz QKWPPHYAXYNZTQ-GJZGRUSLSA-N 2 2 330.432 1.492 20 0 EDADLP Cn1ncc2c1nc(NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)[nH+]c2N ZINC000192955181 442701335 /nfs/dbraw/zinc/70/13/35/442701335.db2.gz OGCCMTDGFFTERP-AWEZNQCLSA-N 2 2 337.431 1.880 20 0 EDADLP Cn1ncc2c1nc(NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)[nH+]c2N ZINC000192955181 442701337 /nfs/dbraw/zinc/70/13/37/442701337.db2.gz OGCCMTDGFFTERP-AWEZNQCLSA-N 2 2 337.431 1.880 20 0 EDADLP CO[C@H](C)[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000188023327 442703402 /nfs/dbraw/zinc/70/34/02/442703402.db2.gz FGAXKAMXIXHCGM-UONOGXRCSA-N 2 2 326.485 1.268 20 0 EDADLP COc1cc(Br)ccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000180972486 442672687 /nfs/dbraw/zinc/67/26/87/442672687.db2.gz NAGJKZIEGFYVLI-CQSZACIVSA-N 2 2 331.254 1.860 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000182030145 442729952 /nfs/dbraw/zinc/72/99/52/442729952.db2.gz NTBNQSBIKVLWKR-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000182030145 442729955 /nfs/dbraw/zinc/72/99/55/442729955.db2.gz NTBNQSBIKVLWKR-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP C[C@@H]([NH3+])CCC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000193310658 442732006 /nfs/dbraw/zinc/73/20/06/442732006.db2.gz RHIHNVMZWZUHJU-SJORKVTESA-N 2 2 333.476 1.863 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246687634 442803025 /nfs/dbraw/zinc/80/30/25/442803025.db2.gz KBHBCWXWMVFEHS-IRXDYDNUSA-N 2 2 333.476 1.905 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246687634 442803029 /nfs/dbraw/zinc/80/30/29/442803029.db2.gz KBHBCWXWMVFEHS-IRXDYDNUSA-N 2 2 333.476 1.905 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246687634 442803034 /nfs/dbraw/zinc/80/30/34/442803034.db2.gz KBHBCWXWMVFEHS-IRXDYDNUSA-N 2 2 333.476 1.905 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246687634 442803039 /nfs/dbraw/zinc/80/30/39/442803039.db2.gz KBHBCWXWMVFEHS-IRXDYDNUSA-N 2 2 333.476 1.905 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000193602742 442758584 /nfs/dbraw/zinc/75/85/84/442758584.db2.gz WJFJXHXCICQOAX-MELADBBJSA-N 2 2 333.432 1.524 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000193602742 442758586 /nfs/dbraw/zinc/75/85/86/442758586.db2.gz WJFJXHXCICQOAX-MELADBBJSA-N 2 2 333.432 1.524 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OC ZINC000193602742 442758588 /nfs/dbraw/zinc/75/85/88/442758588.db2.gz WJFJXHXCICQOAX-MELADBBJSA-N 2 2 333.432 1.524 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OC ZINC000193602742 442758590 /nfs/dbraw/zinc/75/85/90/442758590.db2.gz WJFJXHXCICQOAX-MELADBBJSA-N 2 2 333.432 1.524 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[NH+](C)C ZINC000265545520 442818456 /nfs/dbraw/zinc/81/84/56/442818456.db2.gz PTAQBVCTAVABAV-ZDUSSCGKSA-N 2 2 342.399 1.879 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[C@@H]1[NH+](C)C ZINC000268074867 442838009 /nfs/dbraw/zinc/83/80/09/442838009.db2.gz MGZZWJJMIJLGCE-HOCLYGCPSA-N 2 2 347.463 1.010 20 0 EDADLP C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000182900344 442844973 /nfs/dbraw/zinc/84/49/73/442844973.db2.gz QAXPHZLZMBKJKY-ROUUACIJSA-N 2 2 347.507 1.586 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000268142508 442867799 /nfs/dbraw/zinc/86/77/99/442867799.db2.gz RMHXXMSJOGLGMN-RHSMWYFYSA-N 2 2 343.475 1.964 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000268142508 442867801 /nfs/dbraw/zinc/86/78/01/442867801.db2.gz RMHXXMSJOGLGMN-RHSMWYFYSA-N 2 2 343.475 1.964 20 0 EDADLP c1[nH]nc(-c2cccnc2)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000194360406 442883290 /nfs/dbraw/zinc/88/32/90/442883290.db2.gz UXIXPTRGMPWMRG-UHFFFAOYSA-N 2 2 340.475 1.685 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248163850 442885113 /nfs/dbraw/zinc/88/51/13/442885113.db2.gz SPRLJGITUGMVQL-HRCADAONSA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248163850 442885116 /nfs/dbraw/zinc/88/51/16/442885116.db2.gz SPRLJGITUGMVQL-HRCADAONSA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248163850 442885120 /nfs/dbraw/zinc/88/51/20/442885120.db2.gz SPRLJGITUGMVQL-HRCADAONSA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248163850 442885121 /nfs/dbraw/zinc/88/51/21/442885121.db2.gz SPRLJGITUGMVQL-HRCADAONSA-N 2 2 339.480 1.106 20 0 EDADLP Cc1cn2cc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)ccc2[nH+]1 ZINC000265711605 442890221 /nfs/dbraw/zinc/89/02/21/442890221.db2.gz LSXNODGDZKHCNE-UONOGXRCSA-N 2 2 331.420 1.873 20 0 EDADLP COC(=O)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(F)c1 ZINC000182952021 442853618 /nfs/dbraw/zinc/85/36/18/442853618.db2.gz FRDYJCSZWIREPA-UHFFFAOYSA-N 2 2 337.439 1.682 20 0 EDADLP COC(=O)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(F)c1 ZINC000182952021 442853624 /nfs/dbraw/zinc/85/36/24/442853624.db2.gz FRDYJCSZWIREPA-UHFFFAOYSA-N 2 2 337.439 1.682 20 0 EDADLP COCC[N@H+](C)CCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000248845410 442929580 /nfs/dbraw/zinc/92/95/80/442929580.db2.gz AHTKDVQVIHTQQN-HNNXBMFYSA-N 2 2 337.468 1.208 20 0 EDADLP COCC[N@@H+](C)CCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000248845410 442929586 /nfs/dbraw/zinc/92/95/86/442929586.db2.gz AHTKDVQVIHTQQN-HNNXBMFYSA-N 2 2 337.468 1.208 20 0 EDADLP COCC[N@H+](C)CCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000248845410 442929589 /nfs/dbraw/zinc/92/95/89/442929589.db2.gz AHTKDVQVIHTQQN-HNNXBMFYSA-N 2 2 337.468 1.208 20 0 EDADLP COCC[N@@H+](C)CCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000248845410 442929591 /nfs/dbraw/zinc/92/95/91/442929591.db2.gz AHTKDVQVIHTQQN-HNNXBMFYSA-N 2 2 337.468 1.208 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000248867224 442932026 /nfs/dbraw/zinc/93/20/26/442932026.db2.gz BCQADHZTVQAFMX-JYJNAYRXSA-N 2 2 334.526 1.394 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000248867224 442932029 /nfs/dbraw/zinc/93/20/29/442932029.db2.gz BCQADHZTVQAFMX-JYJNAYRXSA-N 2 2 334.526 1.394 20 0 EDADLP CN(CCC[NH+](C)C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000185337879 318543762 /nfs/dbraw/zinc/54/37/62/318543762.db2.gz NHBJVJMZWUYQHO-UHFFFAOYSA-N 2 2 335.452 1.011 20 0 EDADLP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000184009297 442982740 /nfs/dbraw/zinc/98/27/40/442982740.db2.gz SAXAJLPSISCLIO-KRWDZBQOSA-N 2 2 330.476 1.361 20 0 EDADLP CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000184009297 442982744 /nfs/dbraw/zinc/98/27/44/442982744.db2.gz SAXAJLPSISCLIO-KRWDZBQOSA-N 2 2 330.476 1.361 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)[C@@H](C)C3)CC2)c1 ZINC000249550341 442985508 /nfs/dbraw/zinc/98/55/08/442985508.db2.gz HSEMMSNHGJFCMI-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](O)[C@@H](C)C3)CC2)c1 ZINC000249550341 442985513 /nfs/dbraw/zinc/98/55/13/442985513.db2.gz HSEMMSNHGJFCMI-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000268473548 443001259 /nfs/dbraw/zinc/00/12/59/443001259.db2.gz HQNRZRGQIIWYSA-SJLPKXTDSA-N 2 2 347.507 1.295 20 0 EDADLP CC(C)(C[NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000236597272 443140245 /nfs/dbraw/zinc/14/02/45/443140245.db2.gz JXJJGLAHNPLAMY-UHFFFAOYSA-N 2 2 339.867 1.848 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000268774344 443104644 /nfs/dbraw/zinc/10/46/44/443104644.db2.gz UXXGJPPJVSNGQM-NXHRZFHOSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000268774344 443104648 /nfs/dbraw/zinc/10/46/48/443104648.db2.gz UXXGJPPJVSNGQM-NXHRZFHOSA-N 2 2 336.501 1.921 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298633525 318836234 /nfs/dbraw/zinc/83/62/34/318836234.db2.gz OYRODVYEXDKMCF-UHFFFAOYSA-N 2 2 329.404 1.216 20 0 EDADLP COc1ccc(Br)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000226625633 443122432 /nfs/dbraw/zinc/12/24/32/443122432.db2.gz IQGONNBUHURROE-LBPRGKRZSA-N 2 2 328.254 1.532 20 0 EDADLP COc1ccc(Br)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000226625633 443122434 /nfs/dbraw/zinc/12/24/34/443122434.db2.gz IQGONNBUHURROE-LBPRGKRZSA-N 2 2 328.254 1.532 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000185163265 443151337 /nfs/dbraw/zinc/15/13/37/443151337.db2.gz ZDMIWLLJSNBZEM-UHFFFAOYSA-N 2 2 331.464 1.786 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000185163265 443151342 /nfs/dbraw/zinc/15/13/42/443151342.db2.gz ZDMIWLLJSNBZEM-UHFFFAOYSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(-n2cncn2)cc1 ZINC000268937544 443152128 /nfs/dbraw/zinc/15/21/28/443152128.db2.gz RXGVWQJBPNEUJL-RHSMWYFYSA-N 2 2 342.447 1.258 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(-n2cncn2)cc1 ZINC000268937544 443152131 /nfs/dbraw/zinc/15/21/31/443152131.db2.gz RXGVWQJBPNEUJL-RHSMWYFYSA-N 2 2 342.447 1.258 20 0 EDADLP COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266646169 443195903 /nfs/dbraw/zinc/19/59/03/443195903.db2.gz CTZBGRBTAYVAEV-MRXNPFEDSA-N 2 2 347.459 1.678 20 0 EDADLP COc1cccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266646169 443195908 /nfs/dbraw/zinc/19/59/08/443195908.db2.gz CTZBGRBTAYVAEV-MRXNPFEDSA-N 2 2 347.459 1.678 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C(=O)OC ZINC000245441838 443228269 /nfs/dbraw/zinc/22/82/69/443228269.db2.gz HPQQHOADSIKWLT-AYDFFVQHSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C(=O)OC ZINC000245441838 443228271 /nfs/dbraw/zinc/22/82/71/443228271.db2.gz HPQQHOADSIKWLT-AYDFFVQHSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC ZINC000245441838 443228273 /nfs/dbraw/zinc/22/82/73/443228273.db2.gz HPQQHOADSIKWLT-AYDFFVQHSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC ZINC000245441838 443228275 /nfs/dbraw/zinc/22/82/75/443228275.db2.gz HPQQHOADSIKWLT-AYDFFVQHSA-N 2 2 327.469 1.105 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000269201472 443230805 /nfs/dbraw/zinc/23/08/05/443230805.db2.gz GXPRXWRUNZKQBD-YOEHRIQHSA-N 2 2 328.416 1.049 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1cc[nH+]c1 ZINC000332993086 318976343 /nfs/dbraw/zinc/97/63/43/318976343.db2.gz GMXZFGRRLMNIEW-ILXRZTDVSA-N 2 2 328.420 1.687 20 0 EDADLP C[N@H+](Cc1nc(CC2=[NH+][C@@H]3CCCC[C@@H]3N2)no1)[C@H]1CCSC1 ZINC000350606407 319057813 /nfs/dbraw/zinc/05/78/13/319057813.db2.gz MJEMXRXNBLYFCF-RWMBFGLXSA-N 2 2 335.477 1.862 20 0 EDADLP C[N@@H+](Cc1nc(CC2=[NH+][C@@H]3CCCC[C@@H]3N2)no1)[C@H]1CCSC1 ZINC000350606407 319057815 /nfs/dbraw/zinc/05/78/15/319057815.db2.gz MJEMXRXNBLYFCF-RWMBFGLXSA-N 2 2 335.477 1.862 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(C)[nH+]1 ZINC000411378740 319181519 /nfs/dbraw/zinc/18/15/19/319181519.db2.gz CTTSDJLXZCSGOB-OAHLLOKOSA-N 2 2 332.448 1.746 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(C)[nH+]1 ZINC000411378740 319181521 /nfs/dbraw/zinc/18/15/21/319181521.db2.gz CTTSDJLXZCSGOB-OAHLLOKOSA-N 2 2 332.448 1.746 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)N3CC[NH+](C)CC3)c2C1 ZINC000185785227 443256575 /nfs/dbraw/zinc/25/65/75/443256575.db2.gz WVTJARRNYYICER-OAHLLOKOSA-N 2 2 330.476 1.987 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)N3CC[NH+](C)CC3)c2C1 ZINC000185785227 443256582 /nfs/dbraw/zinc/25/65/82/443256582.db2.gz WVTJARRNYYICER-OAHLLOKOSA-N 2 2 330.476 1.987 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc[nH+]c3c(OC)cccc23)CC[N@H+](C)C1 ZINC000413493913 319271393 /nfs/dbraw/zinc/27/13/93/319271393.db2.gz GIJSTXCKGPIALH-ZDUSSCGKSA-N 2 2 329.400 1.784 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc[nH+]c3c(OC)cccc23)CC[N@@H+](C)C1 ZINC000413493913 319271395 /nfs/dbraw/zinc/27/13/95/319271395.db2.gz GIJSTXCKGPIALH-ZDUSSCGKSA-N 2 2 329.400 1.784 20 0 EDADLP C[NH2+][C@@H](C)C[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000414993984 319344764 /nfs/dbraw/zinc/34/47/64/319344764.db2.gz VCMIASUVAYNYLF-AWEZNQCLSA-N 2 2 335.448 1.394 20 0 EDADLP C[C@H](c1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1)[NH+]1CCOCC1 ZINC000269268334 443259553 /nfs/dbraw/zinc/25/95/53/443259553.db2.gz QSBLZKJDAKCGGG-CRAIPNDOSA-N 2 2 347.459 1.787 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1)c1ccccc1 ZINC000266895857 443283975 /nfs/dbraw/zinc/28/39/75/443283975.db2.gz FFABICPGKKCSAI-HZPDHXFCSA-N 2 2 341.459 1.808 20 0 EDADLP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000269277165 443263687 /nfs/dbraw/zinc/26/36/87/443263687.db2.gz XRZSYPPAXVAGNA-PBHICJAKSA-N 2 2 328.416 1.818 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269279675 443264248 /nfs/dbraw/zinc/26/42/48/443264248.db2.gz ZWXAEBVIABYSTK-QGZVFWFLSA-N 2 2 346.475 1.525 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@H]1C[NH3+])c1ccccc1F ZINC000416911538 319472512 /nfs/dbraw/zinc/47/25/12/319472512.db2.gz MQUQSXDFFDFBEG-WFASDCNBSA-N 2 2 331.395 1.781 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(F)F ZINC000416916668 319474217 /nfs/dbraw/zinc/47/42/17/319474217.db2.gz NRCYVUGKGOVOIK-CQSZACIVSA-N 2 2 337.374 1.713 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1cccc(F)c1 ZINC000416923629 319475836 /nfs/dbraw/zinc/47/58/36/319475836.db2.gz WFPXLHQCUCGNCM-LSDHHAIUSA-N 2 2 331.395 1.685 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416923855 319475978 /nfs/dbraw/zinc/47/59/78/319475978.db2.gz WLZJGXDNEPUWGU-UHOFOFEASA-N 2 2 345.422 1.946 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)[C@@H](C[NH3+])C1 ZINC000416932827 319477548 /nfs/dbraw/zinc/47/75/48/319477548.db2.gz RFRFXMQBEQGGGS-GDBMZVCRSA-N 2 2 347.463 1.187 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416938262 319479294 /nfs/dbraw/zinc/47/92/94/319479294.db2.gz KSOWSINWVIMSMY-JKSUJKDBSA-N 2 2 331.464 1.999 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(F)F ZINC000416947318 319482463 /nfs/dbraw/zinc/48/24/63/319482463.db2.gz XWKWKWNSBDPEGQ-CYBMUJFWSA-N 2 2 341.406 1.854 20 0 EDADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000282442915 443340529 /nfs/dbraw/zinc/34/05/29/443340529.db2.gz IFEAAGVNTWMBQU-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000282442915 443340530 /nfs/dbraw/zinc/34/05/30/443340530.db2.gz IFEAAGVNTWMBQU-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP NC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000269724537 443412291 /nfs/dbraw/zinc/41/22/91/443412291.db2.gz RAGHZUKCPQEALO-ZDUSSCGKSA-N 2 2 327.388 1.028 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)[C@H]1CCSC1 ZINC000269729613 443414624 /nfs/dbraw/zinc/41/46/24/443414624.db2.gz RTOBQLLTFWXGTL-IRXDYDNUSA-N 2 2 344.484 1.765 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCSCC1)c1ccco1 ZINC000264775614 443418826 /nfs/dbraw/zinc/41/88/26/443418826.db2.gz AWUKKNCKXLZAEC-ZDUSSCGKSA-N 2 2 326.466 1.230 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000269692196 443398874 /nfs/dbraw/zinc/39/88/74/443398874.db2.gz IUJXDZXIHQYBPD-QGZVFWFLSA-N 2 2 344.459 1.599 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)CC1 ZINC000278706909 443407890 /nfs/dbraw/zinc/40/78/90/443407890.db2.gz UDMGVERWTFCKIM-CQSZACIVSA-N 2 2 348.447 1.856 20 0 EDADLP C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C1=CC[N@H+](C)CC1 ZINC000272879675 443476694 /nfs/dbraw/zinc/47/66/94/443476694.db2.gz XYHXVDJFQJNVLD-CQSZACIVSA-N 2 2 327.432 1.826 20 0 EDADLP CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267439755 443458362 /nfs/dbraw/zinc/45/83/62/443458362.db2.gz OWJDWCPQBIIPDD-GDBMZVCRSA-N 2 2 349.456 1.726 20 0 EDADLP CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267439755 443458364 /nfs/dbraw/zinc/45/83/64/443458364.db2.gz OWJDWCPQBIIPDD-GDBMZVCRSA-N 2 2 349.456 1.726 20 0 EDADLP CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422935596 319739564 /nfs/dbraw/zinc/73/95/64/319739564.db2.gz LCIVXHCBERTCNH-CVEARBPZSA-N 2 2 325.478 1.394 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000422953362 319741497 /nfs/dbraw/zinc/74/14/97/319741497.db2.gz FAVQJTIDLZGRJH-OLZOCXBDSA-N 2 2 325.840 1.426 20 0 EDADLP C[C@H]([NH3+])CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423223759 319757237 /nfs/dbraw/zinc/75/72/37/319757237.db2.gz HMFHAQPCYTULDT-CABZTGNLSA-N 2 2 347.278 1.995 20 0 EDADLP C[NH+]1CCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC1 ZINC000267598930 443509792 /nfs/dbraw/zinc/50/97/92/443509792.db2.gz LMDBAFHUNXTWKH-UHFFFAOYSA-N 2 2 341.459 1.973 20 0 EDADLP COC[C@]1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000423387640 319769540 /nfs/dbraw/zinc/76/95/40/319769540.db2.gz SSEGDIRXMUVKEX-KXBFYZLASA-N 2 2 347.459 1.644 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272102546 443527832 /nfs/dbraw/zinc/52/78/32/443527832.db2.gz HDGLAAOMORGCPD-KRWDZBQOSA-N 2 2 333.476 1.977 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272102546 443527836 /nfs/dbraw/zinc/52/78/36/443527836.db2.gz HDGLAAOMORGCPD-KRWDZBQOSA-N 2 2 333.476 1.977 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000264966680 443494116 /nfs/dbraw/zinc/49/41/16/443494116.db2.gz CHYIODIXTJHMJR-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000264966680 443494120 /nfs/dbraw/zinc/49/41/20/443494120.db2.gz CHYIODIXTJHMJR-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000423830493 319819417 /nfs/dbraw/zinc/81/94/17/319819417.db2.gz AWMVSFHUHZYSEX-KRWDZBQOSA-N 2 2 346.475 1.520 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000273195657 443559499 /nfs/dbraw/zinc/55/94/99/443559499.db2.gz PRFGPCMAKBZHOD-MRXNPFEDSA-N 2 2 345.447 1.241 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000265249588 443584056 /nfs/dbraw/zinc/58/40/56/443584056.db2.gz AQGRDBQWSMSQEN-OAHLLOKOSA-N 2 2 344.459 1.778 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000265249588 443584062 /nfs/dbraw/zinc/58/40/62/443584062.db2.gz AQGRDBQWSMSQEN-OAHLLOKOSA-N 2 2 344.459 1.778 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000274224946 443599577 /nfs/dbraw/zinc/59/95/77/443599577.db2.gz PGUOYXCOYQVKFC-UHFFFAOYSA-N 2 2 343.435 1.212 20 0 EDADLP CC(C)Cn1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000279954775 443649205 /nfs/dbraw/zinc/64/92/05/443649205.db2.gz OZMVQGHLSKRONB-IRXDYDNUSA-N 2 2 348.470 1.975 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441080063 320087728 /nfs/dbraw/zinc/08/77/28/320087728.db2.gz NIUQNBALXUOLSP-QGZVFWFLSA-N 2 2 338.540 1.732 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389813 320187045 /nfs/dbraw/zinc/18/70/45/320187045.db2.gz UDKIGYCTSHEHJT-WMLDXEAASA-N 2 2 337.439 1.979 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389813 320187046 /nfs/dbraw/zinc/18/70/46/320187046.db2.gz UDKIGYCTSHEHJT-WMLDXEAASA-N 2 2 337.439 1.979 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cnnn2)cc1 ZINC000453276141 320261894 /nfs/dbraw/zinc/26/18/94/320261894.db2.gz XISQQXQKHSEGON-PBHICJAKSA-N 2 2 330.436 1.160 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(-n2cnnn2)cc1 ZINC000453276141 320261896 /nfs/dbraw/zinc/26/18/96/320261896.db2.gz XISQQXQKHSEGON-PBHICJAKSA-N 2 2 330.436 1.160 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000456531760 320309796 /nfs/dbraw/zinc/30/97/96/320309796.db2.gz OVGIMVNCDAPMER-INIZCTEOSA-N 2 2 346.475 1.470 20 0 EDADLP CC[C@H](C(=O)NCCCC[NH+](C)C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000457174783 320322029 /nfs/dbraw/zinc/32/20/29/320322029.db2.gz WTBYLPXPSPTAJN-IAGOWNOFSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCCCC[NH+](C)C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000457174783 320322030 /nfs/dbraw/zinc/32/20/30/320322030.db2.gz WTBYLPXPSPTAJN-IAGOWNOFSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCO[C@H](CC)C1 ZINC000457174783 320322031 /nfs/dbraw/zinc/32/20/31/320322031.db2.gz WTBYLPXPSPTAJN-IAGOWNOFSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCO[C@H](CC)C1 ZINC000457174783 320322032 /nfs/dbraw/zinc/32/20/32/320322032.db2.gz WTBYLPXPSPTAJN-IAGOWNOFSA-N 2 2 325.497 1.866 20 0 EDADLP Cc1nc(N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)cc[nH+]1 ZINC000457706734 320332769 /nfs/dbraw/zinc/33/27/69/320332769.db2.gz ITTCXYVBIBCGNM-UHFFFAOYSA-N 2 2 343.475 1.698 20 0 EDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnn[nH]2)CC1 ZINC000283673641 443688036 /nfs/dbraw/zinc/68/80/36/443688036.db2.gz FDTSPQOGPBIZGY-CYBMUJFWSA-N 2 2 332.427 1.937 20 0 EDADLP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000517018025 320445469 /nfs/dbraw/zinc/44/54/69/320445469.db2.gz BXIIIEKCQJBXSS-KGLIPLIRSA-N 2 2 332.448 1.563 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000521025803 320481628 /nfs/dbraw/zinc/48/16/28/320481628.db2.gz PXMONJCUKRWCJA-ZTFGCOKTSA-N 2 2 331.460 1.683 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2COc3ccccc3[C@H]2O)CC1 ZINC000291027647 443735868 /nfs/dbraw/zinc/73/58/68/443735868.db2.gz IGZOJBWNNCIKKB-QFBILLFUSA-N 2 2 348.443 1.488 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2n1C ZINC000527263225 320506452 /nfs/dbraw/zinc/50/64/52/320506452.db2.gz UMGNWXBEBKESDR-HNNXBMFYSA-N 2 2 342.443 1.676 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000284090172 443765149 /nfs/dbraw/zinc/76/51/49/443765149.db2.gz RNHVXRNMCMLOTC-ZBFHGGJFSA-N 2 2 343.431 1.317 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000284090172 443765151 /nfs/dbraw/zinc/76/51/51/443765151.db2.gz RNHVXRNMCMLOTC-ZBFHGGJFSA-N 2 2 343.431 1.317 20 0 EDADLP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284470641 443775480 /nfs/dbraw/zinc/77/54/80/443775480.db2.gz IEPLTESIPOOXNF-KBXCAEBGSA-N 2 2 328.464 1.859 20 0 EDADLP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284470641 443775483 /nfs/dbraw/zinc/77/54/83/443775483.db2.gz IEPLTESIPOOXNF-KBXCAEBGSA-N 2 2 328.464 1.859 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000285049092 443836667 /nfs/dbraw/zinc/83/66/67/443836667.db2.gz KYMIPTFJSMVAED-WBVHZDCISA-N 2 2 334.464 1.309 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000288353043 443853299 /nfs/dbraw/zinc/85/32/99/443853299.db2.gz DHUKJRUOQHGXEZ-IRXDYDNUSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000288353043 443853305 /nfs/dbraw/zinc/85/33/05/443853305.db2.gz DHUKJRUOQHGXEZ-IRXDYDNUSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000285421035 443978489 /nfs/dbraw/zinc/97/84/89/443978489.db2.gz YEUMLJQJJSEMII-ZFWWWQNUSA-N 2 2 345.447 1.064 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000285421035 443978490 /nfs/dbraw/zinc/97/84/90/443978490.db2.gz YEUMLJQJJSEMII-ZFWWWQNUSA-N 2 2 345.447 1.064 20 0 EDADLP CCNC(=O)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)C ZINC000293361591 443995103 /nfs/dbraw/zinc/99/51/03/443995103.db2.gz UQDJXXQZLSHXGP-IBGZPJMESA-N 2 2 346.519 1.949 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000548307067 320872259 /nfs/dbraw/zinc/87/22/59/320872259.db2.gz OSRKPCDTNZVUGD-HIFRSBDPSA-N 2 2 348.472 1.799 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285580070 444036016 /nfs/dbraw/zinc/03/60/16/444036016.db2.gz TXLXYEJGCSLARS-SJPCQFCGSA-N 2 2 331.460 1.868 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285580070 444036021 /nfs/dbraw/zinc/03/60/21/444036021.db2.gz TXLXYEJGCSLARS-SJPCQFCGSA-N 2 2 331.460 1.868 20 0 EDADLP COc1cccc(CNC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285580070 444036025 /nfs/dbraw/zinc/03/60/25/444036025.db2.gz TXLXYEJGCSLARS-SJPCQFCGSA-N 2 2 331.460 1.868 20 0 EDADLP COc1cccc(CNC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285580070 444036027 /nfs/dbraw/zinc/03/60/27/444036027.db2.gz TXLXYEJGCSLARS-SJPCQFCGSA-N 2 2 331.460 1.868 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)Cc2cn3ccccc3[nH+]2)CCCO1 ZINC000277571322 444008875 /nfs/dbraw/zinc/00/88/75/444008875.db2.gz NZSBHKIRPUAADK-OAHLLOKOSA-N 2 2 330.432 1.494 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cn3ccccc3[nH+]2)CCCO1 ZINC000277571322 444008878 /nfs/dbraw/zinc/00/88/78/444008878.db2.gz NZSBHKIRPUAADK-OAHLLOKOSA-N 2 2 330.432 1.494 20 0 EDADLP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281876855 444029165 /nfs/dbraw/zinc/02/91/65/444029165.db2.gz ACZLVCGTRLKKGN-AWEZNQCLSA-N 2 2 348.447 1.078 20 0 EDADLP COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281876855 444029167 /nfs/dbraw/zinc/02/91/67/444029167.db2.gz ACZLVCGTRLKKGN-AWEZNQCLSA-N 2 2 348.447 1.078 20 0 EDADLP C[N@@H+]1CCc2ncnc(NC3CC[NH+](Cc4ccncc4)CC3)c2C1 ZINC000299553150 444078234 /nfs/dbraw/zinc/07/82/34/444078234.db2.gz CUCASQWJZDZQHS-UHFFFAOYSA-N 2 2 338.459 1.936 20 0 EDADLP C[N@H+]1CCc2ncnc(NC3CC[NH+](Cc4ccncc4)CC3)c2C1 ZINC000299553150 444078237 /nfs/dbraw/zinc/07/82/37/444078237.db2.gz CUCASQWJZDZQHS-UHFFFAOYSA-N 2 2 338.459 1.936 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@H]1Oc2ccccc2[C@@H]1C ZINC000561194553 321035983 /nfs/dbraw/zinc/03/59/83/321035983.db2.gz PIXUBDKOVHOXEZ-WSMBLCCSSA-N 2 2 332.448 1.224 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@H]1Oc2ccccc2[C@@H]1C ZINC000561194553 321035985 /nfs/dbraw/zinc/03/59/85/321035985.db2.gz PIXUBDKOVHOXEZ-WSMBLCCSSA-N 2 2 332.448 1.224 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000562091694 321046323 /nfs/dbraw/zinc/04/63/23/321046323.db2.gz QAKJJCMIBPRUSW-QGZVFWFLSA-N 2 2 346.475 1.374 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000562091694 321046324 /nfs/dbraw/zinc/04/63/24/321046324.db2.gz QAKJJCMIBPRUSW-QGZVFWFLSA-N 2 2 346.475 1.374 20 0 EDADLP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000299576654 444084741 /nfs/dbraw/zinc/08/47/41/444084741.db2.gz INMKQRPNMGCISQ-UHFFFAOYSA-N 2 2 333.476 1.981 20 0 EDADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000299576654 444084745 /nfs/dbraw/zinc/08/47/45/444084745.db2.gz INMKQRPNMGCISQ-UHFFFAOYSA-N 2 2 333.476 1.981 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)C2)CC1 ZINC000563073813 321093727 /nfs/dbraw/zinc/09/37/27/321093727.db2.gz PTIGLEBNFFXETH-SJLPKXTDSA-N 2 2 336.524 1.251 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)C3CC[NH2+]CC3)C2)CC1 ZINC000563073812 321093748 /nfs/dbraw/zinc/09/37/48/321093748.db2.gz PTIGLEBNFFXETH-FUHWJXTLSA-N 2 2 336.524 1.251 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000564305221 321126517 /nfs/dbraw/zinc/12/65/17/321126517.db2.gz MOYURKPWBLJDHX-UHFFFAOYSA-N 2 2 331.420 1.454 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000564772773 321146829 /nfs/dbraw/zinc/14/68/29/321146829.db2.gz RITVKJXHFCFCCW-QUCCMNQESA-N 2 2 340.471 1.369 20 0 EDADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000564824070 321150170 /nfs/dbraw/zinc/15/01/70/321150170.db2.gz SUSTWGKRGNYOJX-IRXDYDNUSA-N 3 2 345.491 1.370 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565189740 321175861 /nfs/dbraw/zinc/17/58/61/321175861.db2.gz JVCYIAUCJBNRHO-UHFFFAOYSA-N 2 2 346.479 1.756 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000567734600 321256088 /nfs/dbraw/zinc/25/60/88/321256088.db2.gz QFFJHEXGNIDGIR-HZPDHXFCSA-N 2 2 347.459 1.344 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000567734600 321256089 /nfs/dbraw/zinc/25/60/89/321256089.db2.gz QFFJHEXGNIDGIR-HZPDHXFCSA-N 2 2 347.459 1.344 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1C ZINC000568588117 321297931 /nfs/dbraw/zinc/29/79/31/321297931.db2.gz FVELBUNUQRLBCX-GXTWGEPZSA-N 2 2 329.404 1.214 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1C ZINC000568588117 321297932 /nfs/dbraw/zinc/29/79/32/321297932.db2.gz FVELBUNUQRLBCX-GXTWGEPZSA-N 2 2 329.404 1.214 20 0 EDADLP Cc1[nH]c(CNc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)[nH+]c1C ZINC000569473197 321326792 /nfs/dbraw/zinc/32/67/92/321326792.db2.gz WTMIXYADEYZOEM-UHFFFAOYSA-N 2 2 341.459 1.955 20 0 EDADLP C[NH2+][C@@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000570174632 321340172 /nfs/dbraw/zinc/34/01/72/321340172.db2.gz CSRABCTULKSSCN-LBPRGKRZSA-N 2 2 335.839 1.240 20 0 EDADLP O=C(Nc1ccccc1-n1cc[nH+]c1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000570804791 321358448 /nfs/dbraw/zinc/35/84/48/321358448.db2.gz BLPFDQRZIRXONX-CYBMUJFWSA-N 2 2 337.387 1.468 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000570959505 321367213 /nfs/dbraw/zinc/36/72/13/321367213.db2.gz FQBYZAMZGNDYPI-BBWFWOEESA-N 2 2 344.459 1.230 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000570959505 321367214 /nfs/dbraw/zinc/36/72/14/321367214.db2.gz FQBYZAMZGNDYPI-BBWFWOEESA-N 2 2 344.459 1.230 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2ncnn2-c2ccccc2)CC12CCOCC2 ZINC000571209180 321376916 /nfs/dbraw/zinc/37/69/16/321376916.db2.gz RMMQYFILKZMWRB-OAHLLOKOSA-N 2 2 327.432 1.455 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ncnn2-c2ccccc2)CC12CCOCC2 ZINC000571209180 321376918 /nfs/dbraw/zinc/37/69/18/321376918.db2.gz RMMQYFILKZMWRB-OAHLLOKOSA-N 2 2 327.432 1.455 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000571266250 321381383 /nfs/dbraw/zinc/38/13/83/321381383.db2.gz QXJRHXGSVYCLQZ-LBPRGKRZSA-N 2 2 330.354 1.898 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccccc2CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000571266250 321381385 /nfs/dbraw/zinc/38/13/85/321381385.db2.gz QXJRHXGSVYCLQZ-LBPRGKRZSA-N 2 2 330.354 1.898 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1-n1ccnn1 ZINC000285897763 444145545 /nfs/dbraw/zinc/14/55/45/444145545.db2.gz CNCGHCAFRRWYJG-RHSMWYFYSA-N 2 2 342.447 1.258 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1-n1ccnn1 ZINC000285897763 444145547 /nfs/dbraw/zinc/14/55/47/444145547.db2.gz CNCGHCAFRRWYJG-RHSMWYFYSA-N 2 2 342.447 1.258 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289492158 444158389 /nfs/dbraw/zinc/15/83/89/444158389.db2.gz JNBKLJRKHLNKSD-XYPHTWIQSA-N 2 2 326.387 1.840 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289492158 444158393 /nfs/dbraw/zinc/15/83/93/444158393.db2.gz JNBKLJRKHLNKSD-XYPHTWIQSA-N 2 2 326.387 1.840 20 0 EDADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000285960355 444163380 /nfs/dbraw/zinc/16/33/80/444163380.db2.gz WSDNTQUUBJFJBS-IAGOWNOFSA-N 2 2 326.400 1.417 20 0 EDADLP C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000285960355 444163382 /nfs/dbraw/zinc/16/33/82/444163382.db2.gz WSDNTQUUBJFJBS-IAGOWNOFSA-N 2 2 326.400 1.417 20 0 EDADLP Cc1ccc2[nH+]ccc(N3CC[NH+]([C@H]4CCS(=O)(=O)C4)CC3)c2c1 ZINC000302139743 444205799 /nfs/dbraw/zinc/20/57/99/444205799.db2.gz DGFSDSGMSNNJGK-HNNXBMFYSA-N 2 2 345.468 1.852 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289810084 444206011 /nfs/dbraw/zinc/20/60/11/444206011.db2.gz LOMAXXMDWSZOJK-MAUKXSAKSA-N 2 2 329.448 1.271 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289810084 444206014 /nfs/dbraw/zinc/20/60/14/444206014.db2.gz LOMAXXMDWSZOJK-MAUKXSAKSA-N 2 2 329.448 1.271 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2c1 ZINC000289939689 444221994 /nfs/dbraw/zinc/22/19/94/444221994.db2.gz WAZOFDKHSRKBCT-CABCVRRESA-N 2 2 344.484 1.944 20 0 EDADLP C[C@@H]1CN(CC[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)CCO1 ZINC000296020029 444199319 /nfs/dbraw/zinc/19/93/19/444199319.db2.gz RBIXQAQJLBLGJM-CVEARBPZSA-N 2 2 334.464 1.321 20 0 EDADLP C[C@@H]1CN(CC[N@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)CCO1 ZINC000296020029 444199321 /nfs/dbraw/zinc/19/93/21/444199321.db2.gz RBIXQAQJLBLGJM-CVEARBPZSA-N 2 2 334.464 1.321 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)C[N@H+](Cc2ccccc2)C1 ZINC000290378729 444273576 /nfs/dbraw/zinc/27/35/76/444273576.db2.gz AXOKSRYUMGMFES-NVXWUHKLSA-N 2 2 339.505 1.378 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)C[N@@H+](Cc2ccccc2)C1 ZINC000290378729 444273578 /nfs/dbraw/zinc/27/35/78/444273578.db2.gz AXOKSRYUMGMFES-NVXWUHKLSA-N 2 2 339.505 1.378 20 0 EDADLP O=S(=O)(NCC[NH2+]C1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000297583993 444304635 /nfs/dbraw/zinc/30/46/35/444304635.db2.gz ISAUKPALEZYRTB-UHFFFAOYSA-N 2 2 329.491 1.243 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[NH+]1CCC(C)CC1 ZINC000297696450 444319942 /nfs/dbraw/zinc/31/99/42/444319942.db2.gz ACDUUKTVMKPOFX-CQSZACIVSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000318864525 444321313 /nfs/dbraw/zinc/32/13/13/444321313.db2.gz JAYUOYJAXNHTTC-DZGCQCFKSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+]1C ZINC000318864525 444321316 /nfs/dbraw/zinc/32/13/16/444321316.db2.gz JAYUOYJAXNHTTC-DZGCQCFKSA-N 2 2 325.478 1.509 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)ccc2n1C ZINC000577721066 321676163 /nfs/dbraw/zinc/67/61/63/321676163.db2.gz ABKQEDSCGRHURR-WDEREUQCSA-N 2 2 329.404 1.029 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309947428 444290411 /nfs/dbraw/zinc/29/04/11/444290411.db2.gz POEKYPDBMPDNLG-OWCLPIDISA-N 2 2 340.512 1.658 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309947428 444290412 /nfs/dbraw/zinc/29/04/12/444290412.db2.gz POEKYPDBMPDNLG-OWCLPIDISA-N 2 2 340.512 1.658 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000310564961 444292294 /nfs/dbraw/zinc/29/22/94/444292294.db2.gz XBJWAGIPELJTGN-SFHVURJKSA-N 2 2 336.476 1.607 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000310564961 444292297 /nfs/dbraw/zinc/29/22/97/444292297.db2.gz XBJWAGIPELJTGN-SFHVURJKSA-N 2 2 336.476 1.607 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000339982925 444348301 /nfs/dbraw/zinc/34/83/01/444348301.db2.gz DKYXSICVHHQUFK-RDJZCZTQSA-N 2 2 348.516 1.724 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000339982925 444348304 /nfs/dbraw/zinc/34/83/04/444348304.db2.gz DKYXSICVHHQUFK-RDJZCZTQSA-N 2 2 348.516 1.724 20 0 EDADLP Cc1nc(N2CCN(C(=O)CC[N@H+]3CCCC[C@@H]3C)CC2)cc[nH+]1 ZINC000328800330 444357287 /nfs/dbraw/zinc/35/72/87/444357287.db2.gz YHEAGBYJGLTOQR-HNNXBMFYSA-N 2 2 331.464 1.698 20 0 EDADLP Cc1nc(N2CCN(C(=O)CC[N@@H+]3CCCC[C@@H]3C)CC2)cc[nH+]1 ZINC000328800330 444357289 /nfs/dbraw/zinc/35/72/89/444357289.db2.gz YHEAGBYJGLTOQR-HNNXBMFYSA-N 2 2 331.464 1.698 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328805823 444359655 /nfs/dbraw/zinc/35/96/55/444359655.db2.gz HTHOMGRBRMEPCR-KBXCAEBGSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328805823 444359660 /nfs/dbraw/zinc/35/96/60/444359660.db2.gz HTHOMGRBRMEPCR-KBXCAEBGSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328805823 444359663 /nfs/dbraw/zinc/35/96/63/444359663.db2.gz HTHOMGRBRMEPCR-KBXCAEBGSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328805823 444359667 /nfs/dbraw/zinc/35/96/67/444359667.db2.gz HTHOMGRBRMEPCR-KBXCAEBGSA-N 2 2 336.480 1.566 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000578445670 321775992 /nfs/dbraw/zinc/77/59/92/321775992.db2.gz NHHATWGRKJRETM-RYRKJORJSA-N 3 2 341.459 1.045 20 0 EDADLP Cc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000328941592 444414672 /nfs/dbraw/zinc/41/46/72/444414672.db2.gz IDSAOIPIEDPBQW-JKSUJKDBSA-N 2 2 325.416 1.756 20 0 EDADLP Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000328941592 444414677 /nfs/dbraw/zinc/41/46/77/444414677.db2.gz IDSAOIPIEDPBQW-JKSUJKDBSA-N 2 2 325.416 1.756 20 0 EDADLP CC[C@@H](Cn1cncn1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000340514905 444420679 /nfs/dbraw/zinc/42/06/79/444420679.db2.gz QCPYFISXDPNYTP-HOCLYGCPSA-N 2 2 329.452 1.704 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000328115394 444385094 /nfs/dbraw/zinc/38/50/94/444385094.db2.gz VMIQFKZBKRKJLC-OAHLLOKOSA-N 2 2 338.415 1.948 20 0 EDADLP CC[N@H+]1CCO[C@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000328115394 444385097 /nfs/dbraw/zinc/38/50/97/444385097.db2.gz VMIQFKZBKRKJLC-OAHLLOKOSA-N 2 2 338.415 1.948 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC)c1ccccc1 ZINC000340591904 444452717 /nfs/dbraw/zinc/45/27/17/444452717.db2.gz SBCUXCLXDUQSMS-HZPDHXFCSA-N 2 2 344.415 1.303 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC)c1ccccc1 ZINC000340591904 444452719 /nfs/dbraw/zinc/45/27/19/444452719.db2.gz SBCUXCLXDUQSMS-HZPDHXFCSA-N 2 2 344.415 1.303 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC)c1ccccc1 ZINC000340591904 444452722 /nfs/dbraw/zinc/45/27/22/444452722.db2.gz SBCUXCLXDUQSMS-HZPDHXFCSA-N 2 2 344.415 1.303 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC)c1ccccc1 ZINC000340591904 444452725 /nfs/dbraw/zinc/45/27/25/444452725.db2.gz SBCUXCLXDUQSMS-HZPDHXFCSA-N 2 2 344.415 1.303 20 0 EDADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cn1 ZINC000580145903 322013609 /nfs/dbraw/zinc/01/36/09/322013609.db2.gz NBFKSMDYSUFRFC-YMCQQKJTSA-N 2 2 331.464 1.295 20 0 EDADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cn1 ZINC000580145903 322013610 /nfs/dbraw/zinc/01/36/10/322013610.db2.gz NBFKSMDYSUFRFC-YMCQQKJTSA-N 2 2 331.464 1.295 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccsc2Br)CC1 ZINC000580183863 322020149 /nfs/dbraw/zinc/02/01/49/322020149.db2.gz ZATCKPAMBQZTJH-GFCCVEGCSA-N 2 2 348.310 1.209 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(F)c1 ZINC000580559227 322067281 /nfs/dbraw/zinc/06/72/81/322067281.db2.gz VUPYDFFMCIFNNN-MRXNPFEDSA-N 2 2 346.406 1.849 20 0 EDADLP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580960274 322117893 /nfs/dbraw/zinc/11/78/93/322117893.db2.gz JCBYSLOTOPPMBF-CABCVRRESA-N 2 2 339.443 1.898 20 0 EDADLP CCCOc1cccc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000581061786 322130496 /nfs/dbraw/zinc/13/04/96/322130496.db2.gz VLZDDDDOGAMCJT-MRXNPFEDSA-N 2 2 334.464 1.302 20 0 EDADLP CCCOc1cccc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000581061786 322130497 /nfs/dbraw/zinc/13/04/97/322130497.db2.gz VLZDDDDOGAMCJT-MRXNPFEDSA-N 2 2 334.464 1.302 20 0 EDADLP c1nn(-c2ncccn2)c2c1[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000581108052 322135770 /nfs/dbraw/zinc/13/57/70/322135770.db2.gz XOGHCQSJKMXOTK-OCCSQVGLSA-N 2 2 335.415 1.910 20 0 EDADLP c1nn(-c2ncccn2)c2c1[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000581108052 322135772 /nfs/dbraw/zinc/13/57/72/322135772.db2.gz XOGHCQSJKMXOTK-OCCSQVGLSA-N 2 2 335.415 1.910 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000581121149 322138201 /nfs/dbraw/zinc/13/82/01/322138201.db2.gz IFTLAPGBYCGOQV-IAGOWNOFSA-N 2 2 331.464 1.426 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)[C@H](C[NH3+])C1 ZINC000581368726 322169478 /nfs/dbraw/zinc/16/94/78/322169478.db2.gz ZYYBGCIROGANDA-GRYCIOLGSA-N 2 2 325.815 1.684 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)[C@H](C[NH3+])C1 ZINC000581368726 322169480 /nfs/dbraw/zinc/16/94/80/322169480.db2.gz ZYYBGCIROGANDA-GRYCIOLGSA-N 2 2 325.815 1.684 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000581407896 322172823 /nfs/dbraw/zinc/17/28/23/322172823.db2.gz OZAOEPIOYRYUHV-WMZOPIPTSA-N 2 2 334.460 1.611 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000581407896 322172824 /nfs/dbraw/zinc/17/28/24/322172824.db2.gz OZAOEPIOYRYUHV-WMZOPIPTSA-N 2 2 334.460 1.611 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000581538171 322189099 /nfs/dbraw/zinc/18/90/99/322189099.db2.gz FITNWHDZQFXURY-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[NH2+]CC2CC2)CC1 ZINC000581549539 322191319 /nfs/dbraw/zinc/19/13/19/322191319.db2.gz ZDDDBVNNEUHHKB-UHFFFAOYSA-N 2 2 344.459 1.289 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000581878459 322227169 /nfs/dbraw/zinc/22/71/69/322227169.db2.gz GDTWVTVKLFFXAM-SOLBZPMBSA-N 2 2 331.460 1.787 20 0 EDADLP C[N@@H+]1CCN(Cc2cnc3ccc(Br)cn23)[C@H](C[NH3+])C1 ZINC000582002977 322243760 /nfs/dbraw/zinc/24/37/60/322243760.db2.gz NMIIYGOKWCHSRV-GFCCVEGCSA-N 2 2 338.253 1.172 20 0 EDADLP C[N@H+]1CCN(Cc2cnc3ccc(Br)cn23)[C@H](C[NH3+])C1 ZINC000582002977 322243762 /nfs/dbraw/zinc/24/37/62/322243762.db2.gz NMIIYGOKWCHSRV-GFCCVEGCSA-N 2 2 338.253 1.172 20 0 EDADLP Cc1cnn(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000342138410 444528727 /nfs/dbraw/zinc/52/87/27/444528727.db2.gz VPZAYXZAFZCXQO-FUHWJXTLSA-N 2 2 330.480 1.940 20 0 EDADLP Cc1cnn(CC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000342138410 444528732 /nfs/dbraw/zinc/52/87/32/444528732.db2.gz VPZAYXZAFZCXQO-FUHWJXTLSA-N 2 2 330.480 1.940 20 0 EDADLP Cc1cnn(CC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000342138410 444528734 /nfs/dbraw/zinc/52/87/34/444528734.db2.gz VPZAYXZAFZCXQO-FUHWJXTLSA-N 2 2 330.480 1.940 20 0 EDADLP Cc1cnn(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000342138410 444528738 /nfs/dbraw/zinc/52/87/38/444528738.db2.gz VPZAYXZAFZCXQO-FUHWJXTLSA-N 2 2 330.480 1.940 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)nc[nH+]1 ZINC000332924363 444598413 /nfs/dbraw/zinc/59/84/13/444598413.db2.gz WGAJSLHRDQCNFF-SOUVJXGZSA-N 2 2 346.479 1.476 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)[nH+]cn1 ZINC000332924363 444598417 /nfs/dbraw/zinc/59/84/17/444598417.db2.gz WGAJSLHRDQCNFF-SOUVJXGZSA-N 2 2 346.479 1.476 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C[N@@H+]1C1CC1 ZINC000332953040 444608554 /nfs/dbraw/zinc/60/85/54/444608554.db2.gz DOWFJSUJUBOHRK-FMKPAKJESA-N 2 2 346.479 1.043 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC000332953040 444608558 /nfs/dbraw/zinc/60/85/58/444608558.db2.gz DOWFJSUJUBOHRK-FMKPAKJESA-N 2 2 346.479 1.043 20 0 EDADLP Cc1c[nH+]c(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000341049939 444652612 /nfs/dbraw/zinc/65/26/12/444652612.db2.gz QDOMWHXFEUYRKL-ROUUACIJSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1c[nH+]c(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000341049939 444652614 /nfs/dbraw/zinc/65/26/14/444652614.db2.gz QDOMWHXFEUYRKL-ROUUACIJSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1c[nH+]c(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1C ZINC000341061668 444659214 /nfs/dbraw/zinc/65/92/14/444659214.db2.gz XHPUPNJUADTSME-ROUUACIJSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1c[nH+]c(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1C ZINC000341061668 444659219 /nfs/dbraw/zinc/65/92/19/444659219.db2.gz XHPUPNJUADTSME-ROUUACIJSA-N 2 2 328.460 1.701 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343986495 444710220 /nfs/dbraw/zinc/71/02/20/444710220.db2.gz QOMDBBWCPVFLAI-JFIYKMOQSA-N 2 2 336.524 1.392 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343986495 444710224 /nfs/dbraw/zinc/71/02/24/444710224.db2.gz QOMDBBWCPVFLAI-JFIYKMOQSA-N 2 2 336.524 1.392 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000343942459 444684481 /nfs/dbraw/zinc/68/44/81/444684481.db2.gz BAHIYJKFDZIEIR-INIZCTEOSA-N 2 2 348.491 1.795 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC[N@@H+](C2CC2)C1 ZINC000333677443 444689363 /nfs/dbraw/zinc/68/93/63/444689363.db2.gz ZFLSCRUXFRJMFB-HUUCEWRRSA-N 2 2 331.464 1.886 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC[N@H+](C2CC2)C1 ZINC000333677443 444689364 /nfs/dbraw/zinc/68/93/64/444689364.db2.gz ZFLSCRUXFRJMFB-HUUCEWRRSA-N 2 2 331.464 1.886 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000333679801 444689369 /nfs/dbraw/zinc/68/93/69/444689369.db2.gz ZMKVBSOVEKADHV-MZORAGNBSA-N 2 2 338.402 1.841 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000333679801 444689370 /nfs/dbraw/zinc/68/93/70/444689370.db2.gz ZMKVBSOVEKADHV-MZORAGNBSA-N 2 2 338.402 1.841 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329852478 444740101 /nfs/dbraw/zinc/74/01/01/444740101.db2.gz UTWWYMWBVUCUOG-HZPDHXFCSA-N 2 2 332.448 1.759 20 0 EDADLP C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000344120041 444792061 /nfs/dbraw/zinc/79/20/61/444792061.db2.gz CMPAEMMMQHJTSG-HOTGVXAUSA-N 2 2 335.448 1.017 20 0 EDADLP C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000344120041 444792064 /nfs/dbraw/zinc/79/20/64/444792064.db2.gz CMPAEMMMQHJTSG-HOTGVXAUSA-N 2 2 335.448 1.017 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2[nH+]c3ccccc3n2C)CC1 ZINC000342730008 444838402 /nfs/dbraw/zinc/83/84/02/444838402.db2.gz OYDVIGIFVHNONB-UHFFFAOYSA-N 2 2 329.448 1.928 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000341498993 444861761 /nfs/dbraw/zinc/86/17/61/444861761.db2.gz MZOQXMJLFGTIJO-ZACQAIPSSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000341498993 444861763 /nfs/dbraw/zinc/86/17/63/444861763.db2.gz MZOQXMJLFGTIJO-ZACQAIPSSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000341498993 444861766 /nfs/dbraw/zinc/86/17/66/444861766.db2.gz MZOQXMJLFGTIJO-ZACQAIPSSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000341498993 444861769 /nfs/dbraw/zinc/86/17/69/444861769.db2.gz MZOQXMJLFGTIJO-ZACQAIPSSA-N 2 2 338.496 1.079 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC(=O)N1C ZINC000330177600 444874381 /nfs/dbraw/zinc/87/43/81/444874381.db2.gz DBJXYTMKSYHGDM-VLLCBTQYSA-N 2 2 345.491 1.381 20 0 EDADLP CCNc1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000341723965 444971580 /nfs/dbraw/zinc/97/15/80/444971580.db2.gz ULFVWAXTBMGLIV-OLZOCXBDSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000341723965 444971584 /nfs/dbraw/zinc/97/15/84/444971584.db2.gz ULFVWAXTBMGLIV-OLZOCXBDSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000341723965 444971589 /nfs/dbraw/zinc/97/15/89/444971589.db2.gz ULFVWAXTBMGLIV-OLZOCXBDSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000341723965 444971592 /nfs/dbraw/zinc/97/15/92/444971592.db2.gz ULFVWAXTBMGLIV-OLZOCXBDSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]c(NC(C)(C)C)n1 ZINC000341723965 444971595 /nfs/dbraw/zinc/97/15/95/444971595.db2.gz ULFVWAXTBMGLIV-OLZOCXBDSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]c(NC(C)(C)C)n1 ZINC000341723965 444971596 /nfs/dbraw/zinc/97/15/96/444971596.db2.gz ULFVWAXTBMGLIV-OLZOCXBDSA-N 2 2 333.484 1.396 20 0 EDADLP C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)[NH+]1C ZINC000339074058 445020283 /nfs/dbraw/zinc/02/02/83/445020283.db2.gz IKCMEAMMTCFQBK-KBPBESRZSA-N 2 2 325.478 1.461 20 0 EDADLP NC(=O)c1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344517062 445027750 /nfs/dbraw/zinc/02/77/50/445027750.db2.gz QCPLUNGVDXSIBY-HXUWFJFHSA-N 2 2 339.439 1.512 20 0 EDADLP NC(=O)c1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344517062 445027754 /nfs/dbraw/zinc/02/77/54/445027754.db2.gz QCPLUNGVDXSIBY-HXUWFJFHSA-N 2 2 339.439 1.512 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)N(C)Cc3[nH+]ccn3C)CC2)[nH+]1 ZINC000341846538 445031626 /nfs/dbraw/zinc/03/16/26/445031626.db2.gz RAYFIXXPCLPVIJ-UHFFFAOYSA-N 2 2 342.447 1.934 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000339162595 445067110 /nfs/dbraw/zinc/06/71/10/445067110.db2.gz ASFTWUADWQFUEO-KRWDZBQOSA-N 2 2 334.464 1.456 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3CC[NH+](C)CC3)c[nH+]2)C[C@H](C)O1 ZINC000344541781 445045300 /nfs/dbraw/zinc/04/53/00/445045300.db2.gz LSGMTJJYYCBGBE-GASCZTMLSA-N 2 2 346.475 1.653 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433008 445139251 /nfs/dbraw/zinc/13/92/51/445139251.db2.gz HIHCZTLTDKMOBH-FQEVSTJZSA-N 2 2 345.487 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339433008 445139254 /nfs/dbraw/zinc/13/92/54/445139254.db2.gz HIHCZTLTDKMOBH-FQEVSTJZSA-N 2 2 345.487 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433008 445139256 /nfs/dbraw/zinc/13/92/56/445139256.db2.gz HIHCZTLTDKMOBH-FQEVSTJZSA-N 2 2 345.487 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433008 445139260 /nfs/dbraw/zinc/13/92/60/445139260.db2.gz HIHCZTLTDKMOBH-FQEVSTJZSA-N 2 2 345.487 1.772 20 0 EDADLP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339230710 445101452 /nfs/dbraw/zinc/10/14/52/445101452.db2.gz MMYALHVHNBOVAL-QBPKDAKJSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000339230710 445101457 /nfs/dbraw/zinc/10/14/57/445101457.db2.gz MMYALHVHNBOVAL-QBPKDAKJSA-N 2 2 325.497 1.865 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000343169007 445111033 /nfs/dbraw/zinc/11/10/33/445111033.db2.gz DGDSRXBWYFXYHK-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000343169007 445111038 /nfs/dbraw/zinc/11/10/38/445111038.db2.gz DGDSRXBWYFXYHK-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP CC[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339267221 445125599 /nfs/dbraw/zinc/12/55/99/445125599.db2.gz ZGLISVKRGYBGHB-CVEARBPZSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339267221 445125603 /nfs/dbraw/zinc/12/56/03/445125603.db2.gz ZGLISVKRGYBGHB-CVEARBPZSA-N 2 2 325.497 1.866 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000339754782 445166593 /nfs/dbraw/zinc/16/65/93/445166593.db2.gz SWHDNOXZEVIICJ-UHFFFAOYSA-N 2 2 347.463 1.108 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000339754782 445166598 /nfs/dbraw/zinc/16/65/98/445166598.db2.gz SWHDNOXZEVIICJ-UHFFFAOYSA-N 2 2 347.463 1.108 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)[C@@H]1CCSC1 ZINC000337574476 445146215 /nfs/dbraw/zinc/14/62/15/445146215.db2.gz FHVZMJYUTLQZBV-HZPDHXFCSA-N 2 2 337.464 1.736 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)[C@@H]1CCSC1 ZINC000337574476 445146218 /nfs/dbraw/zinc/14/62/18/445146218.db2.gz FHVZMJYUTLQZBV-HZPDHXFCSA-N 2 2 337.464 1.736 20 0 EDADLP COC(=O)C1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000344872834 445147743 /nfs/dbraw/zinc/14/77/43/445147743.db2.gz MWNOCOQUJGALRS-UXTNIJRTSA-N 2 2 334.420 1.061 20 0 EDADLP Cc1cccc(CCCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)[nH+]1 ZINC000343224232 445147944 /nfs/dbraw/zinc/14/79/44/445147944.db2.gz KXAYOEDTQCZBCO-INIZCTEOSA-N 2 2 327.432 1.659 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346247917 445209238 /nfs/dbraw/zinc/20/92/38/445209238.db2.gz YKFBGAYXVRPYBG-OWCLPIDISA-N 2 2 325.497 1.580 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346247917 445209239 /nfs/dbraw/zinc/20/92/39/445209239.db2.gz YKFBGAYXVRPYBG-OWCLPIDISA-N 2 2 325.497 1.580 20 0 EDADLP Cc1noc([C@H]2CC[NH+](CCC[N@H+]3CC[C@H](c4nc(C)no4)C3)C2)n1 ZINC000346274459 445210274 /nfs/dbraw/zinc/21/02/74/445210274.db2.gz QYIQVNQVPJSEGQ-GJZGRUSLSA-N 2 2 346.435 1.738 20 0 EDADLP Cc1noc([C@H]2CC[NH+](CCC[N@@H+]3CC[C@H](c4nc(C)no4)C3)C2)n1 ZINC000346274459 445210276 /nfs/dbraw/zinc/21/02/76/445210276.db2.gz QYIQVNQVPJSEGQ-GJZGRUSLSA-N 2 2 346.435 1.738 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)[NH+](C)C)cc1 ZINC000346378798 445213234 /nfs/dbraw/zinc/21/32/34/445213234.db2.gz SAYYNEZKOXQAMY-KRWDZBQOSA-N 2 2 348.491 1.170 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[N@H+](C)CC(=O)NC(C)C)[NH+](C)C)cc1 ZINC000346378798 445213235 /nfs/dbraw/zinc/21/32/35/445213235.db2.gz SAYYNEZKOXQAMY-KRWDZBQOSA-N 2 2 348.491 1.170 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)CCC[N@@H+]1C ZINC000343390956 445214525 /nfs/dbraw/zinc/21/45/25/445214525.db2.gz QFYKBBQRQUMNMC-LRDDRELGSA-N 2 2 347.488 1.753 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)CCC[N@H+]1C ZINC000343390956 445214526 /nfs/dbraw/zinc/21/45/26/445214526.db2.gz QFYKBBQRQUMNMC-LRDDRELGSA-N 2 2 347.488 1.753 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]2CCOCC2)cc1 ZINC000345710855 445197405 /nfs/dbraw/zinc/19/74/05/445197405.db2.gz KQKWFNNGFMAPMT-GJZGRUSLSA-N 2 2 341.402 1.467 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346902742 445227962 /nfs/dbraw/zinc/22/79/62/445227962.db2.gz YGLCEVRIXLOSID-JZXOWHBKSA-N 2 2 349.523 1.992 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346902742 445227963 /nfs/dbraw/zinc/22/79/63/445227963.db2.gz YGLCEVRIXLOSID-JZXOWHBKSA-N 2 2 349.523 1.992 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346902742 445227964 /nfs/dbraw/zinc/22/79/64/445227964.db2.gz YGLCEVRIXLOSID-JZXOWHBKSA-N 2 2 349.523 1.992 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346902742 445227965 /nfs/dbraw/zinc/22/79/65/445227965.db2.gz YGLCEVRIXLOSID-JZXOWHBKSA-N 2 2 349.523 1.992 20 0 EDADLP O=C1CC[C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCN12 ZINC000351752151 445308046 /nfs/dbraw/zinc/30/80/46/445308046.db2.gz NOMUYVBNXQHUOJ-LJQANCHMSA-N 2 2 342.487 1.505 20 0 EDADLP O=C1CC[C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCN12 ZINC000351752151 445308050 /nfs/dbraw/zinc/30/80/50/445308050.db2.gz NOMUYVBNXQHUOJ-LJQANCHMSA-N 2 2 342.487 1.505 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000348528035 445315421 /nfs/dbraw/zinc/31/54/21/445315421.db2.gz WJTUVBNJTVLYNV-KRWDZBQOSA-N 2 2 334.439 1.476 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000348528035 445315424 /nfs/dbraw/zinc/31/54/24/445315424.db2.gz WJTUVBNJTVLYNV-KRWDZBQOSA-N 2 2 334.439 1.476 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000351857369 445344812 /nfs/dbraw/zinc/34/48/12/445344812.db2.gz XJSKECYUVNXCLE-CHWSQXEVSA-N 2 2 327.450 1.233 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000351857369 445344815 /nfs/dbraw/zinc/34/48/15/445344815.db2.gz XJSKECYUVNXCLE-CHWSQXEVSA-N 2 2 327.450 1.233 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000351861350 445346311 /nfs/dbraw/zinc/34/63/11/445346311.db2.gz KXZMORIWDILEOE-VYXJFRSESA-N 2 2 348.491 1.450 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000351861350 445346312 /nfs/dbraw/zinc/34/63/12/445346312.db2.gz KXZMORIWDILEOE-VYXJFRSESA-N 2 2 348.491 1.450 20 0 EDADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000356967589 445352779 /nfs/dbraw/zinc/35/27/79/445352779.db2.gz BBSRHXHWHRIXGK-MRXNPFEDSA-N 2 2 342.443 1.460 20 0 EDADLP C[C@H](CO)[N@H+]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000356967589 445352783 /nfs/dbraw/zinc/35/27/83/445352783.db2.gz BBSRHXHWHRIXGK-MRXNPFEDSA-N 2 2 342.443 1.460 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000348757010 445364101 /nfs/dbraw/zinc/36/41/01/445364101.db2.gz RYEKUUUGGCDUQO-QGZVFWFLSA-N 3 2 342.491 1.959 20 0 EDADLP CCN(CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)CC(F)(F)F ZINC000354814059 445404932 /nfs/dbraw/zinc/40/49/32/445404932.db2.gz DQKBMQMZLNVNAL-UHFFFAOYSA-N 2 2 333.402 1.802 20 0 EDADLP C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000348832227 445406890 /nfs/dbraw/zinc/40/68/90/445406890.db2.gz KPZVVEJJEITIDB-INIZCTEOSA-N 2 2 331.460 1.224 20 0 EDADLP C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000348832227 445406892 /nfs/dbraw/zinc/40/68/92/445406892.db2.gz KPZVVEJJEITIDB-INIZCTEOSA-N 2 2 331.460 1.224 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1F ZINC000362450080 445388099 /nfs/dbraw/zinc/38/80/99/445388099.db2.gz UQGDXPRANFSIGZ-GOEBONIOSA-N 2 2 349.450 1.676 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1F ZINC000362450080 445388100 /nfs/dbraw/zinc/38/81/00/445388100.db2.gz UQGDXPRANFSIGZ-GOEBONIOSA-N 2 2 349.450 1.676 20 0 EDADLP CCCCOC1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000362456891 445391671 /nfs/dbraw/zinc/39/16/71/445391671.db2.gz XMOVXPZYCSKJSB-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC000362661527 445484618 /nfs/dbraw/zinc/48/46/18/445484618.db2.gz DZZUHYZCPBMFNU-CBZIJGRNSA-N 2 2 345.491 2.090 20 0 EDADLP CCCc1[nH+]c2ccccc2n1CCC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000355798494 445484675 /nfs/dbraw/zinc/48/46/75/445484675.db2.gz ACUSEPCCOCMBPH-LJQANCHMSA-N 2 2 344.459 1.562 20 0 EDADLP CCCc1[nH+]c2ccccc2n1CCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000355798494 445484677 /nfs/dbraw/zinc/48/46/77/445484677.db2.gz ACUSEPCCOCMBPH-LJQANCHMSA-N 2 2 344.459 1.562 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)CCOC3C[NH2+]C3)c[nH+]2)CC1 ZINC000349022554 445478326 /nfs/dbraw/zinc/47/83/26/445478326.db2.gz AAMVHZASRQDAMB-UHFFFAOYSA-N 2 2 332.448 1.313 20 0 EDADLP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000362554602 445437094 /nfs/dbraw/zinc/43/70/94/445437094.db2.gz YVGQGNUMRIXYMJ-MRXNPFEDSA-N 2 2 339.443 1.445 20 0 EDADLP O=C(COc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000357138405 445449037 /nfs/dbraw/zinc/44/90/37/445449037.db2.gz WSXRJBFVXNEKSI-AEFFLSMTSA-N 2 2 343.471 1.729 20 0 EDADLP O=C(COc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000357138405 445449041 /nfs/dbraw/zinc/44/90/41/445449041.db2.gz WSXRJBFVXNEKSI-AEFFLSMTSA-N 2 2 343.471 1.729 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000352041554 445455642 /nfs/dbraw/zinc/45/56/42/445455642.db2.gz ZBAOBGRPBPSVAW-KRWDZBQOSA-N 2 2 339.528 1.140 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000352041554 445455646 /nfs/dbraw/zinc/45/56/46/445455646.db2.gz ZBAOBGRPBPSVAW-KRWDZBQOSA-N 2 2 339.528 1.140 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000355410091 445458254 /nfs/dbraw/zinc/45/82/54/445458254.db2.gz KBORHAFLTCHOBE-INMHGKMJSA-N 2 2 341.521 1.183 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1Cc1ccccc1 ZINC000357173609 445466797 /nfs/dbraw/zinc/46/67/97/445466797.db2.gz AOSONMOTEPQQNR-MJGOQNOKSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1Cc1ccccc1 ZINC000357173609 445466800 /nfs/dbraw/zinc/46/68/00/445466800.db2.gz AOSONMOTEPQQNR-MJGOQNOKSA-N 2 2 338.455 1.831 20 0 EDADLP O=C(CCOC1C[NH2+]C1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000348989911 445468162 /nfs/dbraw/zinc/46/81/62/445468162.db2.gz KINWDRWDFKGAAM-UHFFFAOYSA-N 2 2 337.851 1.363 20 0 EDADLP COC(=O)c1oc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000362704305 445509707 /nfs/dbraw/zinc/50/97/07/445509707.db2.gz SZALCXDPVRBPQD-NVXWUHKLSA-N 2 2 349.475 1.832 20 0 EDADLP COC(=O)c1oc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000362704305 445509710 /nfs/dbraw/zinc/50/97/10/445509710.db2.gz SZALCXDPVRBPQD-NVXWUHKLSA-N 2 2 349.475 1.832 20 0 EDADLP c1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)[C@H]21 ZINC000349132579 445517814 /nfs/dbraw/zinc/51/78/14/445517814.db2.gz RYDQDMWZGCNZKI-PWRODBHTSA-N 2 2 341.499 1.711 20 0 EDADLP c1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]C3CC[NH+](CCN4CCOCC4)CC3)[C@H]21 ZINC000349132579 445517817 /nfs/dbraw/zinc/51/78/17/445517817.db2.gz RYDQDMWZGCNZKI-PWRODBHTSA-N 2 2 341.499 1.711 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000362664680 445486446 /nfs/dbraw/zinc/48/64/46/445486446.db2.gz CDAHKJIVPQDQSV-QGZVFWFLSA-N 2 2 339.443 1.473 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000362664680 445486449 /nfs/dbraw/zinc/48/64/49/445486449.db2.gz CDAHKJIVPQDQSV-QGZVFWFLSA-N 2 2 339.443 1.473 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000362664680 445486450 /nfs/dbraw/zinc/48/64/50/445486450.db2.gz CDAHKJIVPQDQSV-QGZVFWFLSA-N 2 2 339.443 1.473 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000362664680 445486453 /nfs/dbraw/zinc/48/64/53/445486453.db2.gz CDAHKJIVPQDQSV-QGZVFWFLSA-N 2 2 339.443 1.473 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355829604 445498128 /nfs/dbraw/zinc/49/81/28/445498128.db2.gz ADORNDKGRRGYMB-UHFFFAOYSA-N 2 2 328.501 1.020 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355829604 445498133 /nfs/dbraw/zinc/49/81/33/445498133.db2.gz ADORNDKGRRGYMB-UHFFFAOYSA-N 2 2 328.501 1.020 20 0 EDADLP C[C@@H]1CN(Cc2c(Cl)cnn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349315672 445561225 /nfs/dbraw/zinc/56/12/25/445561225.db2.gz MFMWIJWMJDTRQZ-CYBMUJFWSA-N 2 2 325.888 1.674 20 0 EDADLP C[C@@H]1CN(Cc2c(Cl)cnn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349315672 445561228 /nfs/dbraw/zinc/56/12/28/445561228.db2.gz MFMWIJWMJDTRQZ-CYBMUJFWSA-N 2 2 325.888 1.674 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1cccc(F)c1 ZINC000362826106 445568141 /nfs/dbraw/zinc/56/81/41/445568141.db2.gz LOHGJUMJJOQWNO-INIZCTEOSA-N 2 2 348.422 1.051 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1cccc(F)c1 ZINC000362826106 445568148 /nfs/dbraw/zinc/56/81/48/445568148.db2.gz LOHGJUMJJOQWNO-INIZCTEOSA-N 2 2 348.422 1.051 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)CCCn2cc[nH+]c2)c1C ZINC000349418443 445583027 /nfs/dbraw/zinc/58/30/27/445583027.db2.gz NTMYCSTVNGXMFF-UHFFFAOYSA-N 2 2 333.436 1.782 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1C ZINC000349418443 445583030 /nfs/dbraw/zinc/58/30/30/445583030.db2.gz NTMYCSTVNGXMFF-UHFFFAOYSA-N 2 2 333.436 1.782 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000360160140 445602895 /nfs/dbraw/zinc/60/28/95/445602895.db2.gz CCMXESWIAIYGIQ-OAHLLOKOSA-N 2 2 349.479 1.033 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000360160140 445602898 /nfs/dbraw/zinc/60/28/98/445602898.db2.gz CCMXESWIAIYGIQ-OAHLLOKOSA-N 2 2 349.479 1.033 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000349639686 445630326 /nfs/dbraw/zinc/63/03/26/445630326.db2.gz SBNCPMOWLWMSQF-SFHVURJKSA-N 2 2 330.476 1.990 20 0 EDADLP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000349639686 445630335 /nfs/dbraw/zinc/63/03/35/445630335.db2.gz SBNCPMOWLWMSQF-SFHVURJKSA-N 2 2 330.476 1.990 20 0 EDADLP C[NH+]1CCC(N(CCO)Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000358521710 445631215 /nfs/dbraw/zinc/63/12/15/445631215.db2.gz YOJJHAFDZQSBQC-UHFFFAOYSA-N 2 2 328.460 1.820 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000358535089 445639774 /nfs/dbraw/zinc/63/97/74/445639774.db2.gz WXEIESKWJRQEJB-MRXNPFEDSA-N 2 2 334.464 1.343 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000360154233 445598437 /nfs/dbraw/zinc/59/84/37/445598437.db2.gz PIXGWKIDTCKYMO-YLJYHZDGSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000360154233 445598442 /nfs/dbraw/zinc/59/84/42/445598442.db2.gz PIXGWKIDTCKYMO-YLJYHZDGSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000360154233 445598445 /nfs/dbraw/zinc/59/84/45/445598445.db2.gz PIXGWKIDTCKYMO-YLJYHZDGSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000360154233 445598450 /nfs/dbraw/zinc/59/84/50/445598450.db2.gz PIXGWKIDTCKYMO-YLJYHZDGSA-N 3 2 330.520 1.864 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1NC(C)=O ZINC000360251644 445657854 /nfs/dbraw/zinc/65/78/54/445657854.db2.gz TXZBYZVOKNGLHJ-XJKSGUPXSA-N 2 2 335.448 1.761 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(NS(C)(=O)=O)c1 ZINC000353650457 445692708 /nfs/dbraw/zinc/69/27/08/445692708.db2.gz QVRMOWLZVBXHAN-YPMHNXCESA-N 2 2 334.445 1.989 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(NS(C)(=O)=O)c1 ZINC000353650457 445692712 /nfs/dbraw/zinc/69/27/12/445692712.db2.gz QVRMOWLZVBXHAN-YPMHNXCESA-N 2 2 334.445 1.989 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)NCC(F)(F)F ZINC000358672446 445705980 /nfs/dbraw/zinc/70/59/80/445705980.db2.gz ZNMODBUVARGNFW-UHFFFAOYSA-N 2 2 335.292 1.671 20 0 EDADLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3ccc(C(N)=O)cc3)CCC[N@@H+]2C)cn1 ZINC000363177651 445709051 /nfs/dbraw/zinc/70/90/51/445709051.db2.gz WPQVQVHFRDRTKH-SJLPKXTDSA-N 2 2 341.459 1.692 20 0 EDADLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3ccc(C(N)=O)cc3)CCC[N@H+]2C)cn1 ZINC000363177651 445709055 /nfs/dbraw/zinc/70/90/55/445709055.db2.gz WPQVQVHFRDRTKH-SJLPKXTDSA-N 2 2 341.459 1.692 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000363081173 445670600 /nfs/dbraw/zinc/67/06/00/445670600.db2.gz GGWMUELQPSZIAN-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000363081173 445670602 /nfs/dbraw/zinc/67/06/02/445670602.db2.gz GGWMUELQPSZIAN-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)c1ccncn1 ZINC000358747335 445755997 /nfs/dbraw/zinc/75/59/97/445755997.db2.gz HMIPAEBVKJYWTC-ROUUACIJSA-N 2 2 339.443 1.495 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)c1ccncn1 ZINC000358747335 445756001 /nfs/dbraw/zinc/75/60/01/445756001.db2.gz HMIPAEBVKJYWTC-ROUUACIJSA-N 2 2 339.443 1.495 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)[C@@H](C)C1 ZINC000361340477 445761454 /nfs/dbraw/zinc/76/14/54/445761454.db2.gz DZMNYUQYSVMHPW-IHPCNDPISA-N 2 2 331.504 1.860 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)[C@@H](C)C1 ZINC000361340477 445761459 /nfs/dbraw/zinc/76/14/59/445761459.db2.gz DZMNYUQYSVMHPW-IHPCNDPISA-N 2 2 331.504 1.860 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1(C)C ZINC000353947626 445823461 /nfs/dbraw/zinc/82/34/61/445823461.db2.gz NSJTUOMTBKTFAQ-SLUKUZTOSA-N 2 2 337.508 1.863 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1(C)C ZINC000353947626 445823462 /nfs/dbraw/zinc/82/34/62/445823462.db2.gz NSJTUOMTBKTFAQ-SLUKUZTOSA-N 2 2 337.508 1.863 20 0 EDADLP Cc1nc(C)c([C@@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)s1 ZINC000361482147 445781518 /nfs/dbraw/zinc/78/15/18/445781518.db2.gz VDHPNCVLUDWNHH-CQSZACIVSA-N 2 2 340.537 1.801 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000350180749 445787538 /nfs/dbraw/zinc/78/75/38/445787538.db2.gz HQMOEJCDROCRNH-KRWDZBQOSA-N 2 2 344.463 1.595 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000350180749 445787542 /nfs/dbraw/zinc/78/75/42/445787542.db2.gz HQMOEJCDROCRNH-KRWDZBQOSA-N 2 2 344.463 1.595 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000361530678 445806582 /nfs/dbraw/zinc/80/65/82/445806582.db2.gz KMMGPHKVHCAAEP-MRXNPFEDSA-N 2 2 332.448 1.612 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358850537 445809215 /nfs/dbraw/zinc/80/92/15/445809215.db2.gz BSJGXUHGPNWZEQ-HOTGVXAUSA-N 2 2 341.496 1.103 20 0 EDADLP COCC1(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CC[NH2+]CC1 ZINC000358862286 445816736 /nfs/dbraw/zinc/81/67/36/445816736.db2.gz UDMRWWZYHVPVKR-UHFFFAOYSA-N 2 2 348.369 1.420 20 0 EDADLP COc1c(Br)cccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358988045 445876190 /nfs/dbraw/zinc/87/61/90/445876190.db2.gz PLZQACZRFSIBIU-CQSZACIVSA-N 2 2 329.238 1.614 20 0 EDADLP COc1c(Br)cccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358988045 445876193 /nfs/dbraw/zinc/87/61/93/445876193.db2.gz PLZQACZRFSIBIU-CQSZACIVSA-N 2 2 329.238 1.614 20 0 EDADLP CCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000354009888 445853303 /nfs/dbraw/zinc/85/33/03/445853303.db2.gz NWDWNPAYLMWYAP-FUHWJXTLSA-N 2 2 332.492 1.938 20 0 EDADLP CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000354009888 445853307 /nfs/dbraw/zinc/85/33/07/445853307.db2.gz NWDWNPAYLMWYAP-FUHWJXTLSA-N 2 2 332.492 1.938 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)Cc1cccs1 ZINC000582057923 325762332 /nfs/dbraw/zinc/76/23/32/325762332.db2.gz KGSWYDZKXOFCFU-JJXSEGSLSA-N 2 2 326.506 1.986 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000359037343 445901448 /nfs/dbraw/zinc/90/14/48/445901448.db2.gz OFYOWBSCLPGESV-LSDHHAIUSA-N 2 2 332.510 1.290 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000359037343 445901450 /nfs/dbraw/zinc/90/14/50/445901450.db2.gz OFYOWBSCLPGESV-LSDHHAIUSA-N 2 2 332.510 1.290 20 0 EDADLP CN(c1ncnc2c1C[N@H+](C)CC2)C1CCN(c2cc[nH+]cc2)CC1 ZINC000361814332 445968162 /nfs/dbraw/zinc/96/81/62/445968162.db2.gz NBSTVGYAXGGTQT-UHFFFAOYSA-N 2 2 338.459 1.965 20 0 EDADLP CN(c1ncnc2c1C[N@@H+](C)CC2)C1CCN(c2cc[nH+]cc2)CC1 ZINC000361814332 445968167 /nfs/dbraw/zinc/96/81/67/445968167.db2.gz NBSTVGYAXGGTQT-UHFFFAOYSA-N 2 2 338.459 1.965 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000373060049 445999659 /nfs/dbraw/zinc/99/96/59/445999659.db2.gz RYNXIPBACWUEJG-CQSZACIVSA-N 2 2 328.420 1.431 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000359163087 445991067 /nfs/dbraw/zinc/99/10/67/445991067.db2.gz DCPKLLQRIKUSKA-QGZVFWFLSA-N 2 2 345.491 1.956 20 0 EDADLP COC(=O)[C@H]1C[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C[NH2+]1 ZINC000365097106 446022420 /nfs/dbraw/zinc/02/24/20/446022420.db2.gz DJGTZAZHGVKGBK-SMDDNHRTSA-N 2 2 345.399 1.128 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1CCOC ZINC000366116088 446023670 /nfs/dbraw/zinc/02/36/70/446023670.db2.gz SWCNTGKIIDMJLH-ZIAGYGMSSA-N 2 2 335.452 1.019 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1CCOC ZINC000366116088 446023677 /nfs/dbraw/zinc/02/36/77/446023677.db2.gz SWCNTGKIIDMJLH-ZIAGYGMSSA-N 2 2 335.452 1.019 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1CCOC ZINC000366116088 446023680 /nfs/dbraw/zinc/02/36/80/446023680.db2.gz SWCNTGKIIDMJLH-ZIAGYGMSSA-N 2 2 335.452 1.019 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1CCOC ZINC000366116088 446023686 /nfs/dbraw/zinc/02/36/86/446023686.db2.gz SWCNTGKIIDMJLH-ZIAGYGMSSA-N 2 2 335.452 1.019 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@]3(C)CCCS3)C2)CC1 ZINC000366121441 446027315 /nfs/dbraw/zinc/02/73/15/446027315.db2.gz DXVQOPUBDWTTPA-RHSMWYFYSA-N 2 2 340.537 1.740 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@]3(C)CCCS3)C2)CC1 ZINC000366121441 446027318 /nfs/dbraw/zinc/02/73/18/446027318.db2.gz DXVQOPUBDWTTPA-RHSMWYFYSA-N 2 2 340.537 1.740 20 0 EDADLP COc1c(C)cnc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1C ZINC000369278250 446044087 /nfs/dbraw/zinc/04/40/87/446044087.db2.gz HXBZFKATKDUTDT-UHFFFAOYSA-N 2 2 349.475 1.366 20 0 EDADLP COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000369278749 446045290 /nfs/dbraw/zinc/04/52/90/446045290.db2.gz SWIKLVQOJILRNE-CYBMUJFWSA-N 2 2 335.423 1.733 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000583089027 325999214 /nfs/dbraw/zinc/99/92/14/325999214.db2.gz HCUCGKXSKDBZMT-HRCADAONSA-N 2 2 325.497 1.580 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000583194207 326023878 /nfs/dbraw/zinc/02/38/78/326023878.db2.gz DTKIBLBSOFJNMG-KLHDSHLOSA-N 2 2 346.479 1.186 20 0 EDADLP Brc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1)OCO2 ZINC000583681188 326116559 /nfs/dbraw/zinc/11/65/59/326116559.db2.gz JUSNHVGNGIRHPA-NSHDSACASA-N 2 2 343.221 1.646 20 0 EDADLP CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000584038985 326187441 /nfs/dbraw/zinc/18/74/41/326187441.db2.gz QRFYDZZEMXKURO-XHSDSOJGSA-N 2 2 332.448 1.276 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCCCCn3cc[nH+]c3)[nH+]cn2)C1 ZINC000584039876 326188180 /nfs/dbraw/zinc/18/81/80/326188180.db2.gz PEPBVOOYJSCUQZ-HUUCEWRRSA-N 2 2 330.436 1.773 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356846413 446066517 /nfs/dbraw/zinc/06/65/17/446066517.db2.gz HTHVJBDVMBWZDJ-HOTGVXAUSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356846413 446066522 /nfs/dbraw/zinc/06/65/22/446066522.db2.gz HTHVJBDVMBWZDJ-HOTGVXAUSA-N 2 2 331.460 1.683 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000373173173 446072895 /nfs/dbraw/zinc/07/28/95/446072895.db2.gz MRUIPUCRPZMTJV-BBWFWOEESA-N 2 2 337.464 1.679 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000373173173 446072900 /nfs/dbraw/zinc/07/29/00/446072900.db2.gz MRUIPUCRPZMTJV-BBWFWOEESA-N 2 2 337.464 1.679 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nnnn3C3CC3)C2)CC1 ZINC000365234603 446092454 /nfs/dbraw/zinc/09/24/54/446092454.db2.gz OPFOEIFJTIOIQY-GOEBONIOSA-N 2 2 333.484 1.169 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nnnn3C3CC3)C2)CC1 ZINC000365234603 446092463 /nfs/dbraw/zinc/09/24/63/446092463.db2.gz OPFOEIFJTIOIQY-GOEBONIOSA-N 2 2 333.484 1.169 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3nnnn3C3CC3)C2)CC1 ZINC000365234605 446092718 /nfs/dbraw/zinc/09/27/18/446092718.db2.gz OPFOEIFJTIOIQY-ZBFHGGJFSA-N 2 2 333.484 1.169 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3nnnn3C3CC3)C2)CC1 ZINC000365234605 446092722 /nfs/dbraw/zinc/09/27/22/446092722.db2.gz OPFOEIFJTIOIQY-ZBFHGGJFSA-N 2 2 333.484 1.169 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)CC1 ZINC000365258714 446108108 /nfs/dbraw/zinc/10/81/08/446108108.db2.gz HLGVIJXPXVLPTO-RYRKJORJSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)CC1 ZINC000365258714 446108110 /nfs/dbraw/zinc/10/81/10/446108110.db2.gz HLGVIJXPXVLPTO-RYRKJORJSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258714 446108112 /nfs/dbraw/zinc/10/81/12/446108112.db2.gz HLGVIJXPXVLPTO-RYRKJORJSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000365258714 446108114 /nfs/dbraw/zinc/10/81/14/446108114.db2.gz HLGVIJXPXVLPTO-RYRKJORJSA-N 3 2 349.523 1.081 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366266520 446116053 /nfs/dbraw/zinc/11/60/53/446116053.db2.gz RGGHUQKKMCQAPA-INIZCTEOSA-N 2 2 343.431 1.039 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366266520 446116061 /nfs/dbraw/zinc/11/60/61/446116061.db2.gz RGGHUQKKMCQAPA-INIZCTEOSA-N 2 2 343.431 1.039 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356959776 446159913 /nfs/dbraw/zinc/15/99/13/446159913.db2.gz ORKUJCSIJVUANA-GFCCVEGCSA-N 2 2 335.452 1.398 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000354379347 446161869 /nfs/dbraw/zinc/16/18/69/446161869.db2.gz BEMVVAYDUGROEC-INIZCTEOSA-N 2 2 335.496 1.539 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000354379347 446161876 /nfs/dbraw/zinc/16/18/76/446161876.db2.gz BEMVVAYDUGROEC-INIZCTEOSA-N 2 2 335.496 1.539 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000366378718 446180992 /nfs/dbraw/zinc/18/09/92/446180992.db2.gz SAKWSGQBIYPMSC-BHYGNILZSA-N 2 2 344.459 1.284 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000366378718 446180998 /nfs/dbraw/zinc/18/09/98/446180998.db2.gz SAKWSGQBIYPMSC-BHYGNILZSA-N 2 2 344.459 1.284 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000366378718 446181002 /nfs/dbraw/zinc/18/10/02/446181002.db2.gz SAKWSGQBIYPMSC-BHYGNILZSA-N 2 2 344.459 1.284 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000366378718 446181008 /nfs/dbraw/zinc/18/10/08/446181008.db2.gz SAKWSGQBIYPMSC-BHYGNILZSA-N 2 2 344.459 1.284 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000370172558 446188157 /nfs/dbraw/zinc/18/81/57/446188157.db2.gz KPCBAVSFANXPRJ-NVXWUHKLSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000370172558 446188161 /nfs/dbraw/zinc/18/81/61/446188161.db2.gz KPCBAVSFANXPRJ-NVXWUHKLSA-N 2 2 346.475 1.547 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000356956066 446156763 /nfs/dbraw/zinc/15/67/63/446156763.db2.gz QSLINJNTTKTULY-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP CC1CCC(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000373510505 446243589 /nfs/dbraw/zinc/24/35/89/446243589.db2.gz SZQZCHWPYWGCHJ-UPTPFMHGSA-N 2 2 337.508 1.866 20 0 EDADLP CC1CCC(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000373510505 446243594 /nfs/dbraw/zinc/24/35/94/446243594.db2.gz SZQZCHWPYWGCHJ-UPTPFMHGSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c(C)c[nH+]1 ZINC000362105389 446215777 /nfs/dbraw/zinc/21/57/77/446215777.db2.gz HFSUDZMNOMAVIH-OAHLLOKOSA-N 2 2 332.448 1.743 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000370306028 446224187 /nfs/dbraw/zinc/22/41/87/446224187.db2.gz REFMLFAYARCDBB-IAGOWNOFSA-N 2 2 343.475 1.848 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000370306028 446224189 /nfs/dbraw/zinc/22/41/89/446224189.db2.gz REFMLFAYARCDBB-IAGOWNOFSA-N 2 2 343.475 1.848 20 0 EDADLP CN(C(=O)[C@H]1CCc2n[nH]cc2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362132999 446228862 /nfs/dbraw/zinc/22/88/62/446228862.db2.gz WUFRLJVGZCQDHZ-WMLDXEAASA-N 2 2 345.491 1.142 20 0 EDADLP CN(C(=O)[C@H]1CCc2n[nH]cc2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362132999 446228864 /nfs/dbraw/zinc/22/88/64/446228864.db2.gz WUFRLJVGZCQDHZ-WMLDXEAASA-N 2 2 345.491 1.142 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC([C@H]4CCOC4)C3)c2cc1C ZINC000366490753 446236014 /nfs/dbraw/zinc/23/60/14/446236014.db2.gz JIMZRWFYYOGFGS-DOTOQJQBSA-N 2 2 329.444 1.982 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366496098 446237963 /nfs/dbraw/zinc/23/79/63/446237963.db2.gz IFYPXQNDFREYII-RKVPGOIHSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366496098 446237970 /nfs/dbraw/zinc/23/79/70/446237970.db2.gz IFYPXQNDFREYII-RKVPGOIHSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366496098 446237973 /nfs/dbraw/zinc/23/79/73/446237973.db2.gz IFYPXQNDFREYII-RKVPGOIHSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366496098 446237979 /nfs/dbraw/zinc/23/79/79/446237979.db2.gz IFYPXQNDFREYII-RKVPGOIHSA-N 2 2 336.480 1.419 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000365549138 446250033 /nfs/dbraw/zinc/25/00/33/446250033.db2.gz HADHTADWBBJYNZ-IBGZPJMESA-N 2 2 342.443 1.937 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c4ncccc34)C2)CC1 ZINC000370372201 446251959 /nfs/dbraw/zinc/25/19/59/446251959.db2.gz VJLXDCFDYZOJMA-OAHLLOKOSA-N 2 2 341.459 1.390 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c4ncccc34)C2)CC1 ZINC000370372201 446251962 /nfs/dbraw/zinc/25/19/62/446251962.db2.gz VJLXDCFDYZOJMA-OAHLLOKOSA-N 2 2 341.459 1.390 20 0 EDADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000365601042 446269350 /nfs/dbraw/zinc/26/93/50/446269350.db2.gz VDYHZFUSZUAOSI-HOTGVXAUSA-N 2 2 336.480 1.119 20 0 EDADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000365601042 446269353 /nfs/dbraw/zinc/26/93/53/446269353.db2.gz VDYHZFUSZUAOSI-HOTGVXAUSA-N 2 2 336.480 1.119 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](CCO[C@@H]2CCCCO2)CC1 ZINC000365628238 446280744 /nfs/dbraw/zinc/28/07/44/446280744.db2.gz QUNZBBGALBYHAT-GOSISDBHSA-N 2 2 336.480 1.954 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+](CCO[C@@H]2CCCCO2)CC1 ZINC000365628238 446280747 /nfs/dbraw/zinc/28/07/47/446280747.db2.gz QUNZBBGALBYHAT-GOSISDBHSA-N 2 2 336.480 1.954 20 0 EDADLP CC(C)N1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)Cc2ccccc21 ZINC000362285848 446305910 /nfs/dbraw/zinc/30/59/10/446305910.db2.gz NKGVEMVMSXKWFM-UHFFFAOYSA-N 2 2 330.476 1.491 20 0 EDADLP CC(C)N1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)Cc2ccccc21 ZINC000362285848 446305915 /nfs/dbraw/zinc/30/59/15/446305915.db2.gz NKGVEMVMSXKWFM-UHFFFAOYSA-N 2 2 330.476 1.491 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370549847 446328739 /nfs/dbraw/zinc/32/87/39/446328739.db2.gz RCKZGCVIBJUJNP-DLBZAZTESA-N 2 2 342.443 1.636 20 0 EDADLP COCCSCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000365837824 446363811 /nfs/dbraw/zinc/36/38/11/446363811.db2.gz MJLJDGGWBULXJZ-HNNXBMFYSA-N 2 2 329.510 1.170 20 0 EDADLP COCCSCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000365837824 446363815 /nfs/dbraw/zinc/36/38/15/446363815.db2.gz MJLJDGGWBULXJZ-HNNXBMFYSA-N 2 2 329.510 1.170 20 0 EDADLP CN(C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC([NH3+])C1 ZINC000417601937 446366355 /nfs/dbraw/zinc/36/63/55/446366355.db2.gz NAOXSNBAPDDIJT-LXPRWKDFSA-N 2 2 346.475 1.061 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCCC[NH3+])[NH+]2CCOCC2)s1 ZINC000417830551 446374426 /nfs/dbraw/zinc/37/44/26/446374426.db2.gz QGRMHNVJBZDIQJ-ZDUSSCGKSA-N 2 2 326.466 1.078 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417844824 446375623 /nfs/dbraw/zinc/37/56/23/446375623.db2.gz ZVCAENLOVWZKDU-UONOGXRCSA-N 2 2 340.493 1.419 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417844824 446375627 /nfs/dbraw/zinc/37/56/27/446375627.db2.gz ZVCAENLOVWZKDU-UONOGXRCSA-N 2 2 340.493 1.419 20 0 EDADLP CCn1cncc1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000417894208 446377941 /nfs/dbraw/zinc/37/79/41/446377941.db2.gz NLKZBAPUQIFIFJ-UHFFFAOYSA-N 2 2 342.447 1.127 20 0 EDADLP COCCCNC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370681769 446384891 /nfs/dbraw/zinc/38/48/91/446384891.db2.gz PMBDNBGEEGZSLF-RTBURBONSA-N 2 2 345.487 1.593 20 0 EDADLP COCCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370681769 446384895 /nfs/dbraw/zinc/38/48/95/446384895.db2.gz PMBDNBGEEGZSLF-RTBURBONSA-N 2 2 345.487 1.593 20 0 EDADLP COCCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370681769 446384900 /nfs/dbraw/zinc/38/49/00/446384900.db2.gz PMBDNBGEEGZSLF-RTBURBONSA-N 2 2 345.487 1.593 20 0 EDADLP COCCCNC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370681769 446384904 /nfs/dbraw/zinc/38/49/04/446384904.db2.gz PMBDNBGEEGZSLF-RTBURBONSA-N 2 2 345.487 1.593 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951664 446396827 /nfs/dbraw/zinc/39/68/27/446396827.db2.gz YZVZRFABHKTTAF-BIGNPOOSSA-N 2 2 328.819 1.871 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951664 446396832 /nfs/dbraw/zinc/39/68/32/446396832.db2.gz YZVZRFABHKTTAF-BIGNPOOSSA-N 2 2 328.819 1.871 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](F)(c3ccccc3F)C2)CC1 ZINC000374809623 446402237 /nfs/dbraw/zinc/40/22/37/446402237.db2.gz COKMAOGBPKDZAT-GOSISDBHSA-N 2 2 337.414 1.860 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](F)(c3ccccc3F)C2)CC1 ZINC000374809623 446402239 /nfs/dbraw/zinc/40/22/39/446402239.db2.gz COKMAOGBPKDZAT-GOSISDBHSA-N 2 2 337.414 1.860 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000411139224 446408635 /nfs/dbraw/zinc/40/86/35/446408635.db2.gz VXYHOQIAWXBKEN-CQSZACIVSA-N 2 2 332.448 1.936 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000411139224 446408638 /nfs/dbraw/zinc/40/86/38/446408638.db2.gz VXYHOQIAWXBKEN-CQSZACIVSA-N 2 2 332.448 1.936 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000411181825 446419825 /nfs/dbraw/zinc/41/98/25/446419825.db2.gz GLNSSWCWBUAOGB-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000411181825 446419830 /nfs/dbraw/zinc/41/98/30/446419830.db2.gz GLNSSWCWBUAOGB-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP COc1cccc([C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c2[nH+]ccn2C)c1 ZINC000370764304 446423385 /nfs/dbraw/zinc/42/33/85/446423385.db2.gz XIBZERPENOFFCF-YCPHGPKFSA-N 2 2 328.416 1.762 20 0 EDADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000418050591 446425362 /nfs/dbraw/zinc/42/53/62/446425362.db2.gz PHNARGNIIUGLOY-ZDUSSCGKSA-N 2 2 336.867 1.701 20 0 EDADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000418050591 446425368 /nfs/dbraw/zinc/42/53/68/446425368.db2.gz PHNARGNIIUGLOY-ZDUSSCGKSA-N 2 2 336.867 1.701 20 0 EDADLP CN(C(=O)c1cccnc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370818029 446458905 /nfs/dbraw/zinc/45/89/05/446458905.db2.gz DSLCQUHRYUPGSI-CQSZACIVSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1cccnc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370818029 446458914 /nfs/dbraw/zinc/45/89/14/446458914.db2.gz DSLCQUHRYUPGSI-CQSZACIVSA-N 2 2 336.867 1.976 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000420316773 446481407 /nfs/dbraw/zinc/48/14/07/446481407.db2.gz NQOPHYHCRCRPJI-SFHVURJKSA-N 2 2 333.432 1.253 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000420316773 446481413 /nfs/dbraw/zinc/48/14/13/446481413.db2.gz NQOPHYHCRCRPJI-SFHVURJKSA-N 2 2 333.432 1.253 20 0 EDADLP CC[C@@]1(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC[NH2+]C1 ZINC000370843493 446476639 /nfs/dbraw/zinc/47/66/39/446476639.db2.gz PRLHZPYPEZHPGY-LJQANCHMSA-N 2 2 345.491 1.947 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423312340 446484231 /nfs/dbraw/zinc/48/42/31/446484231.db2.gz UYIGGSLRYLGWTG-WBMJQRKESA-N 2 2 341.402 1.438 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000423312340 446484235 /nfs/dbraw/zinc/48/42/35/446484235.db2.gz UYIGGSLRYLGWTG-WBMJQRKESA-N 2 2 341.402 1.438 20 0 EDADLP Nc1[nH+]cnc(NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1Cl ZINC000376426399 446490129 /nfs/dbraw/zinc/49/01/29/446490129.db2.gz LEEBKENSKLWMDM-ZDUSSCGKSA-N 2 2 332.839 2.431 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C(N)=O)O1 ZINC000411316307 446489025 /nfs/dbraw/zinc/48/90/25/446489025.db2.gz LJWPXUHWVIPHLJ-CRAIPNDOSA-N 2 2 331.460 1.747 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C(N)=O)O1 ZINC000411316307 446489033 /nfs/dbraw/zinc/48/90/33/446489033.db2.gz LJWPXUHWVIPHLJ-CRAIPNDOSA-N 2 2 331.460 1.747 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000420335087 446504718 /nfs/dbraw/zinc/50/47/18/446504718.db2.gz PAASFWHPEDYADG-AEFFLSMTSA-N 2 2 327.432 1.596 20 0 EDADLP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000376450898 446505218 /nfs/dbraw/zinc/50/52/18/446505218.db2.gz UFACQLRTQKWNJY-JKSUJKDBSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000376450898 446505224 /nfs/dbraw/zinc/50/52/24/446505224.db2.gz UFACQLRTQKWNJY-JKSUJKDBSA-N 2 2 331.464 1.502 20 0 EDADLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000420339249 446509373 /nfs/dbraw/zinc/50/93/73/446509373.db2.gz PRRLOCKZCXXSIW-UHFFFAOYSA-N 2 2 325.409 1.192 20 0 EDADLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000420339249 446509375 /nfs/dbraw/zinc/50/93/75/446509375.db2.gz PRRLOCKZCXXSIW-UHFFFAOYSA-N 2 2 325.409 1.192 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c(C)[nH+]1 ZINC000411334341 446498192 /nfs/dbraw/zinc/49/81/92/446498192.db2.gz YKMRBTYEQQBWGD-CQSZACIVSA-N 2 2 341.415 1.695 20 0 EDADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420384254 446559227 /nfs/dbraw/zinc/55/92/27/446559227.db2.gz GJEIUDOJOGCQGK-CABCVRRESA-N 2 2 335.448 1.264 20 0 EDADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420384254 446559230 /nfs/dbraw/zinc/55/92/30/446559230.db2.gz GJEIUDOJOGCQGK-CABCVRRESA-N 2 2 335.448 1.264 20 0 EDADLP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420384352 446560682 /nfs/dbraw/zinc/56/06/82/446560682.db2.gz ROQSMMFTULSTQQ-IHRRRGAJSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420384352 446560689 /nfs/dbraw/zinc/56/06/89/446560689.db2.gz ROQSMMFTULSTQQ-IHRRRGAJSA-N 2 2 335.448 1.948 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)s1 ZINC000418487865 446562549 /nfs/dbraw/zinc/56/25/49/446562549.db2.gz LYDRXFYLZOLBQJ-MRXNPFEDSA-N 2 2 336.505 1.875 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000453589662 446565570 /nfs/dbraw/zinc/56/55/70/446565570.db2.gz WCTTVXRNBXZKQU-KRWDZBQOSA-N 2 2 344.459 1.338 20 0 EDADLP COCC1(C[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423407598 446520971 /nfs/dbraw/zinc/52/09/71/446520971.db2.gz MSKPWABYMOZUPZ-INIZCTEOSA-N 2 2 333.411 1.639 20 0 EDADLP COCC1(C[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423407598 446520976 /nfs/dbraw/zinc/52/09/76/446520976.db2.gz MSKPWABYMOZUPZ-INIZCTEOSA-N 2 2 333.411 1.639 20 0 EDADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348030 446523635 /nfs/dbraw/zinc/52/36/35/446523635.db2.gz JEEWTMAQCUKJFX-CQSZACIVSA-N 2 2 331.439 1.675 20 0 EDADLP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348030 446523639 /nfs/dbraw/zinc/52/36/39/446523639.db2.gz JEEWTMAQCUKJFX-CQSZACIVSA-N 2 2 331.439 1.675 20 0 EDADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c(Br)c1 ZINC000420349935 446527224 /nfs/dbraw/zinc/52/72/24/446527224.db2.gz FGIDQLWVGLKCNG-GHMZBOCLSA-N 2 2 344.253 1.336 20 0 EDADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c(Br)c1 ZINC000420349935 446527228 /nfs/dbraw/zinc/52/72/28/446527228.db2.gz FGIDQLWVGLKCNG-GHMZBOCLSA-N 2 2 344.253 1.336 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350248 446527995 /nfs/dbraw/zinc/52/79/95/446527995.db2.gz GDLYDIAPYWRPKI-IYOUNJFTSA-N 2 2 329.444 1.657 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350248 446528003 /nfs/dbraw/zinc/52/80/03/446528003.db2.gz GDLYDIAPYWRPKI-IYOUNJFTSA-N 2 2 329.444 1.657 20 0 EDADLP C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423427218 446532648 /nfs/dbraw/zinc/53/26/48/446532648.db2.gz INJWMTBCYHHPSZ-CQSZACIVSA-N 2 2 328.416 1.818 20 0 EDADLP C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@@H](O)C[NH3+] ZINC000420353490 446533502 /nfs/dbraw/zinc/53/35/02/446533502.db2.gz NIWWOXCREQJPON-YOEHRIQHSA-N 2 2 333.457 1.205 20 0 EDADLP C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@@H](O)C[NH3+] ZINC000420353490 446533507 /nfs/dbraw/zinc/53/35/07/446533507.db2.gz NIWWOXCREQJPON-YOEHRIQHSA-N 2 2 333.457 1.205 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@@H](O)C[NH3+] ZINC000420353485 446534273 /nfs/dbraw/zinc/53/42/73/446534273.db2.gz NIWWOXCREQJPON-WMLDXEAASA-N 2 2 333.457 1.205 20 0 EDADLP C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@@H](O)C[NH3+] ZINC000420353485 446534279 /nfs/dbraw/zinc/53/42/79/446534279.db2.gz NIWWOXCREQJPON-WMLDXEAASA-N 2 2 333.457 1.205 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)c1 ZINC000423440738 446539428 /nfs/dbraw/zinc/53/94/28/446539428.db2.gz VXMUVKLDFQAOBL-CJNGLKHVSA-N 2 2 341.477 1.014 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000453056112 446540694 /nfs/dbraw/zinc/54/06/94/446540694.db2.gz FUXIAKPQZFIIIY-KBXCAEBGSA-N 2 2 346.454 1.649 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000453056112 446540701 /nfs/dbraw/zinc/54/07/01/446540701.db2.gz FUXIAKPQZFIIIY-KBXCAEBGSA-N 2 2 346.454 1.649 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)[nH+]1 ZINC000411434797 446541446 /nfs/dbraw/zinc/54/14/46/446541446.db2.gz ZVNZAXOMVNTNPL-HZPDHXFCSA-N 2 2 344.459 1.888 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)[nH+]1 ZINC000411434797 446541452 /nfs/dbraw/zinc/54/14/52/446541452.db2.gz ZVNZAXOMVNTNPL-HZPDHXFCSA-N 2 2 344.459 1.888 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361043 446541561 /nfs/dbraw/zinc/54/15/61/446541561.db2.gz XSPWXKVGHDXTAT-VHSXEESVSA-N 2 2 330.226 1.028 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361043 446541568 /nfs/dbraw/zinc/54/15/68/446541568.db2.gz XSPWXKVGHDXTAT-VHSXEESVSA-N 2 2 330.226 1.028 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c(C)c1 ZINC000420363796 446544936 /nfs/dbraw/zinc/54/49/36/446544936.db2.gz JUCJULRDQBXBPT-HACGYAERSA-N 2 2 332.448 1.928 20 0 EDADLP Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420366540 446546175 /nfs/dbraw/zinc/54/61/75/446546175.db2.gz GBALVOZMLFAVIO-UHOSZYNNSA-N 2 2 328.460 1.878 20 0 EDADLP Cn1nccc1[C@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420366540 446546183 /nfs/dbraw/zinc/54/61/83/446546183.db2.gz GBALVOZMLFAVIO-UHOSZYNNSA-N 2 2 328.460 1.878 20 0 EDADLP CC[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1CC(F)F ZINC000420370053 446547970 /nfs/dbraw/zinc/54/79/70/446547970.db2.gz YHEVCJKXALPKDJ-IKGGRYGDSA-N 2 2 341.446 1.579 20 0 EDADLP CC[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1CC(F)F ZINC000420370053 446547976 /nfs/dbraw/zinc/54/79/76/446547976.db2.gz YHEVCJKXALPKDJ-IKGGRYGDSA-N 2 2 341.446 1.579 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420373228 446550673 /nfs/dbraw/zinc/55/06/73/446550673.db2.gz QXHUYNMGBPXYTQ-VWPFQQQWSA-N 2 2 347.459 1.454 20 0 EDADLP CC(C)[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000453215837 446551247 /nfs/dbraw/zinc/55/12/47/446551247.db2.gz SKUXFGFKHGKMOX-FBVQUNGASA-N 2 2 347.507 1.581 20 0 EDADLP CC(C)[C@H](Cn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000453215837 446551248 /nfs/dbraw/zinc/55/12/48/446551248.db2.gz SKUXFGFKHGKMOX-FBVQUNGASA-N 2 2 347.507 1.581 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000420372041 446551825 /nfs/dbraw/zinc/55/18/25/446551825.db2.gz XQONZUHHPCTJMP-HOTGVXAUSA-N 2 2 337.439 1.689 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCCOc1ccc(Cl)cc1 ZINC000420373962 446552287 /nfs/dbraw/zinc/55/22/87/446552287.db2.gz ROZWHWLUVQJXJL-IIYDPXPESA-N 2 2 339.867 1.811 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418459553 446552345 /nfs/dbraw/zinc/55/23/45/446552345.db2.gz GMVIVPZGBGXGGX-CQSZACIVSA-N 2 2 339.509 1.878 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418459553 446552351 /nfs/dbraw/zinc/55/23/51/446552351.db2.gz GMVIVPZGBGXGGX-CQSZACIVSA-N 2 2 339.509 1.878 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000420373925 446552835 /nfs/dbraw/zinc/55/28/35/446552835.db2.gz RMSZAIXZCKGWHJ-VIPLHTEESA-N 2 2 344.503 1.605 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[NH+]1CCCO ZINC000453259345 446552985 /nfs/dbraw/zinc/55/29/85/446552985.db2.gz IILHIJALOLWRET-YZGWKJHDSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[NH+]1CCCO ZINC000453259345 446552990 /nfs/dbraw/zinc/55/29/90/446552990.db2.gz IILHIJALOLWRET-YZGWKJHDSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000453259345 446552992 /nfs/dbraw/zinc/55/29/92/446552992.db2.gz IILHIJALOLWRET-YZGWKJHDSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[N@H+]1CCCO ZINC000453259345 446552996 /nfs/dbraw/zinc/55/29/96/446552996.db2.gz IILHIJALOLWRET-YZGWKJHDSA-N 2 2 346.519 1.728 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000420393317 446568102 /nfs/dbraw/zinc/56/81/02/446568102.db2.gz XKUGPEVQNUQESC-UONOGXRCSA-N 2 2 337.464 1.811 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000420393317 446568108 /nfs/dbraw/zinc/56/81/08/446568108.db2.gz XKUGPEVQNUQESC-UONOGXRCSA-N 2 2 337.464 1.811 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[NH2+]C2CCCCCC2)CCO1 ZINC000418467267 446555648 /nfs/dbraw/zinc/55/56/48/446555648.db2.gz SCEFCTYKFUKCRH-KRWDZBQOSA-N 2 2 340.512 1.709 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[NH2+]C2CCCCCC2)CCO1 ZINC000418467267 446555653 /nfs/dbraw/zinc/55/56/53/446555653.db2.gz SCEFCTYKFUKCRH-KRWDZBQOSA-N 2 2 340.512 1.709 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000418470076 446556329 /nfs/dbraw/zinc/55/63/29/446556329.db2.gz QJAXPRJDXDHKEU-HNNXBMFYSA-N 3 2 327.517 1.171 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418470076 446556335 /nfs/dbraw/zinc/55/63/35/446556335.db2.gz QJAXPRJDXDHKEU-HNNXBMFYSA-N 3 2 327.517 1.171 20 0 EDADLP CCc1nc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)cc(C)[nH+]1 ZINC000367508660 446556476 /nfs/dbraw/zinc/55/64/76/446556476.db2.gz WHVDXQYOGXNHPP-UHFFFAOYSA-N 2 2 331.464 1.846 20 0 EDADLP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420382125 446556627 /nfs/dbraw/zinc/55/66/27/446556627.db2.gz YHZKLLUPFVSWLD-ZBRFXRBCSA-N 2 2 332.444 1.191 20 0 EDADLP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420382125 446556633 /nfs/dbraw/zinc/55/66/33/446556633.db2.gz YHZKLLUPFVSWLD-ZBRFXRBCSA-N 2 2 332.444 1.191 20 0 EDADLP CCN(C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)[C@H](C)c1ccc(F)cc1 ZINC000420398441 446572103 /nfs/dbraw/zinc/57/21/03/446572103.db2.gz YQSOZOXPFARORS-RHSMWYFYSA-N 2 2 337.439 1.785 20 0 EDADLP CCN(C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)[C@H](C)c1ccc(F)cc1 ZINC000420398441 446572106 /nfs/dbraw/zinc/57/21/06/446572106.db2.gz YQSOZOXPFARORS-RHSMWYFYSA-N 2 2 337.439 1.785 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423573192 446581774 /nfs/dbraw/zinc/58/17/74/446581774.db2.gz ZDUPRACNKIHULC-UKRRQHHQSA-N 2 2 325.478 1.730 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH+]1CCOCC1 ZINC000371056435 446601599 /nfs/dbraw/zinc/60/15/99/446601599.db2.gz RYRDUYGORMKSHW-CVEARBPZSA-N 2 2 349.479 1.276 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000418626900 446619863 /nfs/dbraw/zinc/61/98/63/446619863.db2.gz MIMRCLNGUSVIIX-IHRRRGAJSA-N 2 2 341.431 1.145 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000418626900 446619868 /nfs/dbraw/zinc/61/98/68/446619868.db2.gz MIMRCLNGUSVIIX-IHRRRGAJSA-N 2 2 341.431 1.145 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434351369 446637486 /nfs/dbraw/zinc/63/74/86/446637486.db2.gz JXSKGRIORNNEDN-MRXNPFEDSA-N 2 2 338.496 1.415 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434351369 446637491 /nfs/dbraw/zinc/63/74/91/446637491.db2.gz JXSKGRIORNNEDN-MRXNPFEDSA-N 2 2 338.496 1.415 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1Nc1cc[nH+]c2ccsc21 ZINC000375238725 446664056 /nfs/dbraw/zinc/66/40/56/446664056.db2.gz GBHCMYQMLSNIAK-MEBBXXQBSA-N 2 2 327.413 1.884 20 0 EDADLP Cc1nn(C)cc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375260182 446677611 /nfs/dbraw/zinc/67/76/11/446677611.db2.gz KPDGBCAEQLHKSQ-CYBMUJFWSA-N 2 2 334.468 1.361 20 0 EDADLP Cc1nn(C)cc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375260182 446677617 /nfs/dbraw/zinc/67/76/17/446677617.db2.gz KPDGBCAEQLHKSQ-CYBMUJFWSA-N 2 2 334.468 1.361 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H](C)C2C[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000423758452 446687433 /nfs/dbraw/zinc/68/74/33/446687433.db2.gz NUSWNPLGQOLHES-HIFRSBDPSA-N 2 2 337.489 1.402 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCc2[nH+]ccn2C)n1 ZINC000435344336 446691032 /nfs/dbraw/zinc/69/10/32/446691032.db2.gz ULEACPIPSSBQMW-BBRMVZONSA-N 2 2 330.436 2.438 20 0 EDADLP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)sc2nccn12 ZINC000371219660 446697518 /nfs/dbraw/zinc/69/75/18/446697518.db2.gz MTJDUWJYJWWPRR-ZDUSSCGKSA-N 2 2 347.488 1.603 20 0 EDADLP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)sc2nccn12 ZINC000371219660 446697528 /nfs/dbraw/zinc/69/75/28/446697528.db2.gz MTJDUWJYJWWPRR-ZDUSSCGKSA-N 2 2 347.488 1.603 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[NH+]2CCC1CC2 ZINC000376770514 446708468 /nfs/dbraw/zinc/70/84/68/446708468.db2.gz BIRPVUHWLYYQML-UHFFFAOYSA-N 2 2 329.448 1.540 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423821699 446711039 /nfs/dbraw/zinc/71/10/39/446711039.db2.gz IAXFQZQDFPSCOE-RRFJBIMHSA-N 2 2 341.814 1.329 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423821699 446711044 /nfs/dbraw/zinc/71/10/44/446711044.db2.gz IAXFQZQDFPSCOE-RRFJBIMHSA-N 2 2 341.814 1.329 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423827119 446715415 /nfs/dbraw/zinc/71/54/15/446715415.db2.gz NCSVQXWTBGEJEI-KCPJHIHWSA-N 2 2 325.815 1.950 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423827119 446715419 /nfs/dbraw/zinc/71/54/19/446715419.db2.gz NCSVQXWTBGEJEI-KCPJHIHWSA-N 2 2 325.815 1.950 20 0 EDADLP CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000375318095 446716083 /nfs/dbraw/zinc/71/60/83/446716083.db2.gz HOKMVFHVSCJHIQ-ROUUACIJSA-N 2 2 335.492 1.794 20 0 EDADLP CN(Cc1nc(-c2ccco2)no1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376799176 446726182 /nfs/dbraw/zinc/72/61/82/446726182.db2.gz NHHRQHQVZWADDL-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP CN(Cc1nc(-c2ccco2)no1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376799176 446726191 /nfs/dbraw/zinc/72/61/91/446726191.db2.gz NHHRQHQVZWADDL-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP C[N@H+](Cc1nc(-c2ccco2)no1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799176 446726200 /nfs/dbraw/zinc/72/62/00/446726200.db2.gz NHHRQHQVZWADDL-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP C[N@@H+](Cc1nc(-c2ccco2)no1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799176 446726207 /nfs/dbraw/zinc/72/62/07/446726207.db2.gz NHHRQHQVZWADDL-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000371287517 446745148 /nfs/dbraw/zinc/74/51/48/446745148.db2.gz PMJVEZCZVOODEJ-ROUUACIJSA-N 2 2 340.427 1.855 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000371287517 446745154 /nfs/dbraw/zinc/74/51/54/446745154.db2.gz PMJVEZCZVOODEJ-ROUUACIJSA-N 2 2 340.427 1.855 20 0 EDADLP CC1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000371292436 446750165 /nfs/dbraw/zinc/75/01/65/446750165.db2.gz BXKPOOXVIGJDPU-NUUXYWTLSA-N 2 2 337.508 1.865 20 0 EDADLP CC1CCC(NC(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000371292436 446750168 /nfs/dbraw/zinc/75/01/68/446750168.db2.gz BXKPOOXVIGJDPU-NUUXYWTLSA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCCC1 ZINC000368304306 446771902 /nfs/dbraw/zinc/77/19/02/446771902.db2.gz LSVKSXHEYGBQPR-DLBZAZTESA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCCC1 ZINC000368304306 446771909 /nfs/dbraw/zinc/77/19/09/446771909.db2.gz LSVKSXHEYGBQPR-DLBZAZTESA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423925496 446775354 /nfs/dbraw/zinc/77/53/54/446775354.db2.gz FRESULBZFQIAPZ-SOUVJXGZSA-N 2 2 332.448 1.645 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]([NH3+])CC(=O)OC)ccc2n1C1CC1 ZINC000423925816 446776036 /nfs/dbraw/zinc/77/60/36/446776036.db2.gz CAFIEAQHNFROGR-ZDUSSCGKSA-N 2 2 344.415 1.440 20 0 EDADLP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423927759 446779027 /nfs/dbraw/zinc/77/90/27/446779027.db2.gz JJSGSVFPFNDLBR-HZPDHXFCSA-N 2 2 344.459 1.804 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423933353 446783219 /nfs/dbraw/zinc/78/32/19/446783219.db2.gz RRGHHAPROQCSFV-AOIWGVFYSA-N 2 2 331.460 1.659 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423933353 446783229 /nfs/dbraw/zinc/78/32/29/446783229.db2.gz RRGHHAPROQCSFV-AOIWGVFYSA-N 2 2 331.460 1.659 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000371337766 446786564 /nfs/dbraw/zinc/78/65/64/446786564.db2.gz WEUFDKDHSIXKSN-HKUYNNGSSA-N 2 2 344.503 1.891 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000371337766 446786569 /nfs/dbraw/zinc/78/65/69/446786569.db2.gz WEUFDKDHSIXKSN-HKUYNNGSSA-N 2 2 344.503 1.891 20 0 EDADLP CCOC(=O)[C@@H](CC)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371350144 446797629 /nfs/dbraw/zinc/79/76/29/446797629.db2.gz PYCWLTAINKFAPD-QGZVFWFLSA-N 2 2 325.497 1.819 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000375462453 446816350 /nfs/dbraw/zinc/81/63/50/446816350.db2.gz ZVQKCARVGJZGGQ-UYAOXDASSA-N 3 2 344.503 1.433 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000375462453 446816356 /nfs/dbraw/zinc/81/63/56/446816356.db2.gz ZVQKCARVGJZGGQ-UYAOXDASSA-N 3 2 344.503 1.433 20 0 EDADLP C[NH+]1CCN(C(=O)CNC[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000375462453 446816363 /nfs/dbraw/zinc/81/63/63/446816363.db2.gz ZVQKCARVGJZGGQ-UYAOXDASSA-N 2 2 344.503 1.433 20 0 EDADLP C[NH+]1CCN(C(=O)CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000375462453 446816374 /nfs/dbraw/zinc/81/63/74/446816374.db2.gz ZVQKCARVGJZGGQ-UYAOXDASSA-N 2 2 344.503 1.433 20 0 EDADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000371381133 446819140 /nfs/dbraw/zinc/81/91/40/446819140.db2.gz CTIOOMZWUQKMQV-BPQIPLTHSA-N 2 2 333.476 1.851 20 0 EDADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000371381133 446819143 /nfs/dbraw/zinc/81/91/43/446819143.db2.gz CTIOOMZWUQKMQV-BPQIPLTHSA-N 2 2 333.476 1.851 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000412041336 446803207 /nfs/dbraw/zinc/80/32/07/446803207.db2.gz LDJCACRNDDQXTF-JENIJYKNSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000412041336 446803211 /nfs/dbraw/zinc/80/32/11/446803211.db2.gz LDJCACRNDDQXTF-JENIJYKNSA-N 2 2 345.487 1.595 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000376933450 446804661 /nfs/dbraw/zinc/80/46/61/446804661.db2.gz PTROCLUXLQUTGD-IXDOHACOSA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000376933450 446804664 /nfs/dbraw/zinc/80/46/64/446804664.db2.gz PTROCLUXLQUTGD-IXDOHACOSA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000376933450 446804671 /nfs/dbraw/zinc/80/46/71/446804671.db2.gz PTROCLUXLQUTGD-IXDOHACOSA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000376933450 446804677 /nfs/dbraw/zinc/80/46/77/446804677.db2.gz PTROCLUXLQUTGD-IXDOHACOSA-N 2 2 341.496 1.055 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000418999505 446856067 /nfs/dbraw/zinc/85/60/67/446856067.db2.gz JDVLJHUYWDTOIO-HOTGVXAUSA-N 2 2 346.475 1.405 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000418999505 446856074 /nfs/dbraw/zinc/85/60/74/446856074.db2.gz JDVLJHUYWDTOIO-HOTGVXAUSA-N 2 2 346.475 1.405 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000419011222 446866148 /nfs/dbraw/zinc/86/61/48/446866148.db2.gz ZNYHPNNOFVGUQV-HOTGVXAUSA-N 2 2 346.475 1.276 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000419011222 446866155 /nfs/dbraw/zinc/86/61/55/446866155.db2.gz ZNYHPNNOFVGUQV-HOTGVXAUSA-N 2 2 346.475 1.276 20 0 EDADLP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000368443854 446866574 /nfs/dbraw/zinc/86/65/74/446866574.db2.gz WHSOGBBBYKVHMW-ZWKOTPCHSA-N 2 2 330.407 1.964 20 0 EDADLP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000368443854 446866579 /nfs/dbraw/zinc/86/65/79/446866579.db2.gz WHSOGBBBYKVHMW-ZWKOTPCHSA-N 2 2 330.407 1.964 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/c2cccnc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371461488 446870939 /nfs/dbraw/zinc/87/09/39/446870939.db2.gz YGILZYZDCUXTBP-SQRWCISFSA-N 2 2 328.460 1.722 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/c2cccnc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371461488 446870945 /nfs/dbraw/zinc/87/09/45/446870945.db2.gz YGILZYZDCUXTBP-SQRWCISFSA-N 2 2 328.460 1.722 20 0 EDADLP O[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000420903328 446881109 /nfs/dbraw/zinc/88/11/09/446881109.db2.gz OCWFWULZRKDQGC-GBESFXJTSA-N 2 2 344.503 1.687 20 0 EDADLP O[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000420903328 446881116 /nfs/dbraw/zinc/88/11/16/446881116.db2.gz OCWFWULZRKDQGC-GBESFXJTSA-N 2 2 344.503 1.687 20 0 EDADLP COc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000412173795 446886050 /nfs/dbraw/zinc/88/60/50/446886050.db2.gz XEJUVBQZFWKJSH-ZWKOTPCHSA-N 2 2 345.487 1.941 20 0 EDADLP CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917342 446888245 /nfs/dbraw/zinc/88/82/45/446888245.db2.gz QYVFUKNWPWDMJL-SFHVURJKSA-N 2 2 331.460 1.475 20 0 EDADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917342 446888249 /nfs/dbraw/zinc/88/82/49/446888249.db2.gz QYVFUKNWPWDMJL-SFHVURJKSA-N 2 2 331.460 1.475 20 0 EDADLP O=C(C1CC1)[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000420925284 446893836 /nfs/dbraw/zinc/89/38/36/446893836.db2.gz VQIYADHHZDOQDA-LJQANCHMSA-N 2 2 344.455 1.699 20 0 EDADLP O=C(C1CC1)[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000420925284 446893843 /nfs/dbraw/zinc/89/38/43/446893843.db2.gz VQIYADHHZDOQDA-LJQANCHMSA-N 2 2 344.455 1.699 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000371527201 446913301 /nfs/dbraw/zinc/91/33/01/446913301.db2.gz HBONFUMGKNWUKR-SJLPKXTDSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000371527201 446913309 /nfs/dbraw/zinc/91/33/09/446913309.db2.gz HBONFUMGKNWUKR-SJLPKXTDSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000371527201 446913318 /nfs/dbraw/zinc/91/33/18/446913318.db2.gz HBONFUMGKNWUKR-SJLPKXTDSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000371527201 446913325 /nfs/dbraw/zinc/91/33/25/446913325.db2.gz HBONFUMGKNWUKR-SJLPKXTDSA-N 2 2 348.491 1.978 20 0 EDADLP COCC[C@@H]1COCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420961241 446933383 /nfs/dbraw/zinc/93/33/83/446933383.db2.gz HZVLQDNSGCDHEL-LJQANCHMSA-N 2 2 334.460 1.756 20 0 EDADLP COCC[C@@H]1COCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420961241 446933388 /nfs/dbraw/zinc/93/33/88/446933388.db2.gz HZVLQDNSGCDHEL-LJQANCHMSA-N 2 2 334.460 1.756 20 0 EDADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454731043 446956421 /nfs/dbraw/zinc/95/64/21/446956421.db2.gz UTTHDHMUJSKYRY-AWEZNQCLSA-N 2 2 343.431 1.617 20 0 EDADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000454731043 446956429 /nfs/dbraw/zinc/95/64/29/446956429.db2.gz UTTHDHMUJSKYRY-AWEZNQCLSA-N 2 2 343.431 1.617 20 0 EDADLP C[C@H]1CN(Cc2cnc(N(C)C)nc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368586068 446960142 /nfs/dbraw/zinc/96/01/42/446960142.db2.gz WGQLAOIYTLTGPS-HNNXBMFYSA-N 2 2 332.496 1.143 20 0 EDADLP C[C@H]1CN(Cc2cnc(N(C)C)nc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368586068 446960148 /nfs/dbraw/zinc/96/01/48/446960148.db2.gz WGQLAOIYTLTGPS-HNNXBMFYSA-N 2 2 332.496 1.143 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CCN1C1CC[NH+](C)CC1 ZINC000368586068 446960153 /nfs/dbraw/zinc/96/01/53/446960153.db2.gz WGQLAOIYTLTGPS-HNNXBMFYSA-N 2 2 332.496 1.143 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)CCN1C1CC[NH+](C)CC1 ZINC000368586068 446960160 /nfs/dbraw/zinc/96/01/60/446960160.db2.gz WGQLAOIYTLTGPS-HNNXBMFYSA-N 2 2 332.496 1.143 20 0 EDADLP C[N@H+](CC(=O)NCCN1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442791978 446969084 /nfs/dbraw/zinc/96/90/84/446969084.db2.gz PAIRODJSXINYEC-JWTNVVGKSA-N 2 2 342.487 1.380 20 0 EDADLP C[N@@H+](CC(=O)NCCN1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442791978 446969089 /nfs/dbraw/zinc/96/90/89/446969089.db2.gz PAIRODJSXINYEC-JWTNVVGKSA-N 2 2 342.487 1.380 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442789783 446969474 /nfs/dbraw/zinc/96/94/74/446969474.db2.gz KULZIMMHKRUCNC-JWTNVVGKSA-N 2 2 331.460 1.664 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442789783 446969479 /nfs/dbraw/zinc/96/94/79/446969479.db2.gz KULZIMMHKRUCNC-JWTNVVGKSA-N 2 2 331.460 1.664 20 0 EDADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372111627 447008201 /nfs/dbraw/zinc/00/82/01/447008201.db2.gz VSGXNEVZFBGZLC-IRXDYDNUSA-N 2 2 346.475 1.261 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000377176760 446973271 /nfs/dbraw/zinc/97/32/71/446973271.db2.gz VUQJSKRAQHMRAO-WMZOPIPTSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000377176760 446973275 /nfs/dbraw/zinc/97/32/75/446973275.db2.gz VUQJSKRAQHMRAO-WMZOPIPTSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1CC(C)(C)O ZINC000377176760 446973280 /nfs/dbraw/zinc/97/32/80/446973280.db2.gz VUQJSKRAQHMRAO-WMZOPIPTSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1CC(C)(C)O ZINC000377176760 446973284 /nfs/dbraw/zinc/97/32/84/446973284.db2.gz VUQJSKRAQHMRAO-WMZOPIPTSA-N 2 2 345.487 1.565 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000377278964 447036997 /nfs/dbraw/zinc/03/69/97/447036997.db2.gz FIAITKPBXWCGPP-HNNXBMFYSA-N 2 2 335.452 1.235 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cccc(CO)c2)([NH+]2CCCCC2)CC1 ZINC000368692328 447040992 /nfs/dbraw/zinc/04/09/92/447040992.db2.gz MXPZYFUFSVPPLH-UHFFFAOYSA-N 2 2 345.487 1.859 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000368699906 447049276 /nfs/dbraw/zinc/04/92/76/447049276.db2.gz KRLHCNYZMVIYFW-MRXNPFEDSA-N 2 2 345.491 1.247 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cn1 ZINC000372417728 447055409 /nfs/dbraw/zinc/05/54/09/447055409.db2.gz XJCKXTBSLSYJAY-WMZOPIPTSA-N 2 2 335.496 1.301 20 0 EDADLP CC(C)n1cc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cn1 ZINC000372417728 447055416 /nfs/dbraw/zinc/05/54/16/447055416.db2.gz XJCKXTBSLSYJAY-WMZOPIPTSA-N 2 2 335.496 1.301 20 0 EDADLP CC(C)n1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)cn1 ZINC000372417728 447055420 /nfs/dbraw/zinc/05/54/20/447055420.db2.gz XJCKXTBSLSYJAY-WMZOPIPTSA-N 2 2 335.496 1.301 20 0 EDADLP CC(C)n1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cn1 ZINC000372417728 447055425 /nfs/dbraw/zinc/05/54/25/447055425.db2.gz XJCKXTBSLSYJAY-WMZOPIPTSA-N 2 2 335.496 1.301 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000455115850 447057066 /nfs/dbraw/zinc/05/70/66/447057066.db2.gz MYCLFLPKEZXHSJ-QGZVFWFLSA-N 2 2 338.496 1.369 20 0 EDADLP Cc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc2nncn21 ZINC000413201234 447065715 /nfs/dbraw/zinc/06/57/15/447065715.db2.gz FTWNWLGTZLCPJZ-XYPWUTKMSA-N 2 2 341.463 1.180 20 0 EDADLP Cc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc2nncn21 ZINC000413201234 447065724 /nfs/dbraw/zinc/06/57/24/447065724.db2.gz FTWNWLGTZLCPJZ-XYPWUTKMSA-N 2 2 341.463 1.180 20 0 EDADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000375807850 447067219 /nfs/dbraw/zinc/06/72/19/447067219.db2.gz CZXUTVQBHCOGGO-OAHLLOKOSA-N 2 2 325.478 1.949 20 0 EDADLP CCCS(=O)(=O)CC[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000375807850 447067223 /nfs/dbraw/zinc/06/72/23/447067223.db2.gz CZXUTVQBHCOGGO-OAHLLOKOSA-N 2 2 325.478 1.949 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CCO)C(C)(C)C)C2)CC1 ZINC000368791805 447109236 /nfs/dbraw/zinc/10/92/36/447109236.db2.gz SFEANARSKBOFRI-HOCLYGCPSA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CCO)C(C)(C)C)C2)CC1 ZINC000368791805 447109242 /nfs/dbraw/zinc/10/92/42/447109242.db2.gz SFEANARSKBOFRI-HOCLYGCPSA-N 2 2 340.512 1.251 20 0 EDADLP CC(C)n1cc(C[NH2+]CCN2CC[N@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC000377399326 447110632 /nfs/dbraw/zinc/11/06/32/447110632.db2.gz NQVZBXPYBKGKMA-LJQANCHMSA-N 2 2 342.491 1.937 20 0 EDADLP CC(C)n1cc(C[NH2+]CCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC000377399326 447110638 /nfs/dbraw/zinc/11/06/38/447110638.db2.gz NQVZBXPYBKGKMA-LJQANCHMSA-N 2 2 342.491 1.937 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)on1 ZINC000372477628 447074668 /nfs/dbraw/zinc/07/46/68/447074668.db2.gz HWUWEOBQHNZLDT-NWANDNLSSA-N 2 2 336.436 1.401 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)on1 ZINC000372477628 447074676 /nfs/dbraw/zinc/07/46/76/447074676.db2.gz HWUWEOBQHNZLDT-NWANDNLSSA-N 2 2 336.436 1.401 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000375815891 447075487 /nfs/dbraw/zinc/07/54/87/447075487.db2.gz QTTRKOHGWCXAFL-CABCVRRESA-N 2 2 349.479 1.236 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000375815891 447075495 /nfs/dbraw/zinc/07/54/95/447075495.db2.gz QTTRKOHGWCXAFL-CABCVRRESA-N 2 2 349.479 1.236 20 0 EDADLP CC(C)Oc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ncn1 ZINC000413220422 447077161 /nfs/dbraw/zinc/07/71/61/447077161.db2.gz PBBBSPLGDFGACP-OAHLLOKOSA-N 2 2 333.480 1.869 20 0 EDADLP CC(C)Oc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ncn1 ZINC000413220422 447077168 /nfs/dbraw/zinc/07/71/68/447077168.db2.gz PBBBSPLGDFGACP-OAHLLOKOSA-N 2 2 333.480 1.869 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000375824197 447082041 /nfs/dbraw/zinc/08/20/41/447082041.db2.gz MPDFGVIHRLDMSP-FQEVSTJZSA-N 2 2 331.504 1.876 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000375824197 447082045 /nfs/dbraw/zinc/08/20/45/447082045.db2.gz MPDFGVIHRLDMSP-FQEVSTJZSA-N 2 2 331.504 1.876 20 0 EDADLP CN(C(=O)NC[C@H]1CCCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372487475 447082789 /nfs/dbraw/zinc/08/27/89/447082789.db2.gz PSRLJLSQOOTMFY-NVXWUHKLSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C(=O)NC[C@H]1CCCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372487475 447082796 /nfs/dbraw/zinc/08/27/96/447082796.db2.gz PSRLJLSQOOTMFY-NVXWUHKLSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H](C4CC4)C3)C2)CC1 ZINC000377377641 447098982 /nfs/dbraw/zinc/09/89/82/447098982.db2.gz HTZQPRAOIVNBOV-DLBZAZTESA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H](C4CC4)C3)C2)CC1 ZINC000377377641 447098995 /nfs/dbraw/zinc/09/89/95/447098995.db2.gz HTZQPRAOIVNBOV-DLBZAZTESA-N 2 2 334.508 1.987 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(COC)on3)CC2)CC1 ZINC000421369826 447142305 /nfs/dbraw/zinc/14/23/05/447142305.db2.gz HXYYIYOMYKTLRH-UHFFFAOYSA-N 2 2 336.480 1.813 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(COC)on3)CC2)CC1 ZINC000421369826 447142310 /nfs/dbraw/zinc/14/23/10/447142310.db2.gz HXYYIYOMYKTLRH-UHFFFAOYSA-N 2 2 336.480 1.813 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000372604974 447176840 /nfs/dbraw/zinc/17/68/40/447176840.db2.gz DIZVFIGSDODRRB-UHFFFAOYSA-N 3 2 333.480 1.509 20 0 EDADLP Cc1c[nH+]c(NCC2([NH+](C)C)CCC2)nc1NCC1([NH+](C)C)CCC1 ZINC000445605385 447185295 /nfs/dbraw/zinc/18/52/95/447185295.db2.gz RLCPAPJZSBZVLD-UHFFFAOYSA-N 3 2 346.523 2.577 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000377545015 447195296 /nfs/dbraw/zinc/19/52/96/447195296.db2.gz PKMXCSCMVBAUGQ-QGZVFWFLSA-N 2 2 328.460 1.995 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000377545015 447195299 /nfs/dbraw/zinc/19/52/99/447195299.db2.gz PKMXCSCMVBAUGQ-QGZVFWFLSA-N 2 2 328.460 1.995 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000372661773 447211446 /nfs/dbraw/zinc/21/14/46/447211446.db2.gz ZCLIBUGHUADQIW-GDBMZVCRSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000372661773 447211450 /nfs/dbraw/zinc/21/14/50/447211450.db2.gz ZCLIBUGHUADQIW-GDBMZVCRSA-N 2 2 331.464 1.610 20 0 EDADLP COCCCn1nccc1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377618824 447246545 /nfs/dbraw/zinc/24/65/45/447246545.db2.gz CEUZQRUGTVOXIU-SFHVURJKSA-N 2 2 349.523 1.379 20 0 EDADLP COCCCn1nccc1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377618824 447246548 /nfs/dbraw/zinc/24/65/48/447246548.db2.gz CEUZQRUGTVOXIU-SFHVURJKSA-N 2 2 349.523 1.379 20 0 EDADLP COCCOCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000368965251 447230437 /nfs/dbraw/zinc/23/04/37/447230437.db2.gz JXKJRDMQWSZHQP-BBRMVZONSA-N 2 2 327.494 1.915 20 0 EDADLP COCCOCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000368965251 447230444 /nfs/dbraw/zinc/23/04/44/447230444.db2.gz JXKJRDMQWSZHQP-BBRMVZONSA-N 2 2 327.494 1.915 20 0 EDADLP COc1c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)nn1C ZINC000377688189 447296196 /nfs/dbraw/zinc/29/61/96/447296196.db2.gz BSXBPQYJSKAOKE-SJPCQFCGSA-N 2 2 347.507 1.480 20 0 EDADLP COc1c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)nn1C ZINC000377688189 447296199 /nfs/dbraw/zinc/29/61/99/447296199.db2.gz BSXBPQYJSKAOKE-SJPCQFCGSA-N 2 2 347.507 1.480 20 0 EDADLP COc1c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)nn1C ZINC000377688189 447296203 /nfs/dbraw/zinc/29/62/03/447296203.db2.gz BSXBPQYJSKAOKE-SJPCQFCGSA-N 2 2 347.507 1.480 20 0 EDADLP COc1c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)nn1C ZINC000377688189 447296207 /nfs/dbraw/zinc/29/62/07/447296207.db2.gz BSXBPQYJSKAOKE-SJPCQFCGSA-N 2 2 347.507 1.480 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000415475355 447466664 /nfs/dbraw/zinc/46/66/64/447466664.db2.gz HXCLDAFJUZEKDW-UHFFFAOYSA-N 2 2 343.431 1.429 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3cc(OC)ncn3)no2)[C@H](C)C1 ZINC000450562951 447526727 /nfs/dbraw/zinc/52/67/27/447526727.db2.gz IPMBXXINNBLIMR-TZMCWYRMSA-N 2 2 346.435 1.697 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc(-c3cc(OC)ncn3)no2)[C@H](C)C1 ZINC000450562951 447526731 /nfs/dbraw/zinc/52/67/31/447526731.db2.gz IPMBXXINNBLIMR-TZMCWYRMSA-N 2 2 346.435 1.697 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc(-c3cc(OC)ncn3)no2)[C@H](C)C1 ZINC000450562951 447526737 /nfs/dbraw/zinc/52/67/37/447526737.db2.gz IPMBXXINNBLIMR-TZMCWYRMSA-N 2 2 346.435 1.697 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc(-c3cc(OC)ncn3)no2)[C@H](C)C1 ZINC000450562951 447526741 /nfs/dbraw/zinc/52/67/41/447526741.db2.gz IPMBXXINNBLIMR-TZMCWYRMSA-N 2 2 346.435 1.697 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(F)(F)F ZINC000390890782 447504468 /nfs/dbraw/zinc/50/44/68/447504468.db2.gz ZBAHHWHJRATRES-LSDHHAIUSA-N 2 2 332.366 1.790 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CCOC2(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000458943036 447511458 /nfs/dbraw/zinc/51/14/58/447511458.db2.gz AEHFTCSNQYCQSA-ZBFHGGJFSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CCOC2(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000458943036 447511463 /nfs/dbraw/zinc/51/14/63/447511463.db2.gz AEHFTCSNQYCQSA-ZBFHGGJFSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H](C)[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)OC ZINC000458972116 447521825 /nfs/dbraw/zinc/52/18/25/447521825.db2.gz PHYBUAHJLYAINP-WBVHZDCISA-N 2 2 342.528 1.715 20 0 EDADLP CC[C@@H](C)[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)OC ZINC000458972116 447521831 /nfs/dbraw/zinc/52/18/31/447521831.db2.gz PHYBUAHJLYAINP-WBVHZDCISA-N 2 2 342.528 1.715 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)C2 ZINC000419997182 447535310 /nfs/dbraw/zinc/53/53/10/447535310.db2.gz LOHBURAISHAYRN-UGSOOPFHSA-N 2 2 336.480 1.457 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)CC2 ZINC000419997182 447535313 /nfs/dbraw/zinc/53/53/13/447535313.db2.gz LOHBURAISHAYRN-UGSOOPFHSA-N 2 2 336.480 1.457 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000400156699 447567887 /nfs/dbraw/zinc/56/78/87/447567887.db2.gz FWZYCNXEXGSZDY-PVAVHDDUSA-N 2 2 337.489 1.273 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[N@H+]1Cc1ccccc1 ZINC000400156699 447567892 /nfs/dbraw/zinc/56/78/92/447567892.db2.gz FWZYCNXEXGSZDY-PVAVHDDUSA-N 2 2 337.489 1.273 20 0 EDADLP CN(C)c1nc(N2CC[NH+](CCn3cc(Cl)cn3)CC2)cc[nH+]1 ZINC000459343559 447640686 /nfs/dbraw/zinc/64/06/86/447640686.db2.gz QLAYFSULVRNNOA-UHFFFAOYSA-N 2 2 335.843 1.215 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000427753937 447643117 /nfs/dbraw/zinc/64/31/17/447643117.db2.gz FQMMEYIOJDRRMO-GOSISDBHSA-N 2 2 342.443 1.772 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000427753937 447643125 /nfs/dbraw/zinc/64/31/25/447643125.db2.gz FQMMEYIOJDRRMO-GOSISDBHSA-N 2 2 342.443 1.772 20 0 EDADLP CCn1nncc1C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000459351087 447643718 /nfs/dbraw/zinc/64/37/18/447643718.db2.gz OMAXKEPTTNHMRB-UHFFFAOYSA-N 2 2 348.495 1.064 20 0 EDADLP c1ccc2c(c1)CCN2c1cc(NCCCN2CC[NH2+]CC2)[nH+]cn1 ZINC000420117822 447612665 /nfs/dbraw/zinc/61/26/65/447612665.db2.gz HTVTUTHZEKBXNI-UHFFFAOYSA-N 2 2 338.459 1.878 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407235695 447614596 /nfs/dbraw/zinc/61/45/96/447614596.db2.gz AYSSEFPTKNCVCU-CVEARBPZSA-N 2 2 330.432 1.065 20 0 EDADLP CC1(C)C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)[C@@H]2COC[C@@H]21 ZINC000495934280 447654702 /nfs/dbraw/zinc/65/47/02/447654702.db2.gz KVXBFNOBDJBFOG-DAYGRLMNSA-N 2 2 335.448 1.217 20 0 EDADLP CC1(C)C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)[C@@H]2COC[C@@H]21 ZINC000495934280 447654709 /nfs/dbraw/zinc/65/47/09/447654709.db2.gz KVXBFNOBDJBFOG-DAYGRLMNSA-N 2 2 335.448 1.217 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@H]1SC ZINC000459410505 447656587 /nfs/dbraw/zinc/65/65/87/447656587.db2.gz ZHLKQVOKIUSAKE-CAOSSQGBSA-N 2 2 343.537 1.428 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@H]1SC ZINC000459410505 447656593 /nfs/dbraw/zinc/65/65/93/447656593.db2.gz ZHLKQVOKIUSAKE-CAOSSQGBSA-N 2 2 343.537 1.428 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc(C)[nH+]1 ZINC000422594210 447662195 /nfs/dbraw/zinc/66/21/95/447662195.db2.gz VUAJIAHRMHVMSF-INIZCTEOSA-N 2 2 332.448 1.113 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc(C)[nH+]1 ZINC000422594210 447662201 /nfs/dbraw/zinc/66/22/01/447662201.db2.gz VUAJIAHRMHVMSF-INIZCTEOSA-N 2 2 332.448 1.113 20 0 EDADLP CCc1cc(NCC2(COC)CC[NH2+]CC2)nc(-c2ccncc2)[nH+]1 ZINC000420239976 447682939 /nfs/dbraw/zinc/68/29/39/447682939.db2.gz LFJHPZRFCGTCHJ-UHFFFAOYSA-N 2 2 341.459 1.951 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416802170 447687498 /nfs/dbraw/zinc/68/74/98/447687498.db2.gz AWJPQCMYAGNQDX-NVXWUHKLSA-N 2 2 334.464 1.042 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416802170 447687500 /nfs/dbraw/zinc/68/75/00/447687500.db2.gz AWJPQCMYAGNQDX-NVXWUHKLSA-N 2 2 334.464 1.042 20 0 EDADLP Cc1ccc(C(=O)NCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1F ZINC000422833468 447763891 /nfs/dbraw/zinc/76/38/91/447763891.db2.gz WBQUQWGEMZAIOD-SJORKVTESA-N 2 2 335.423 1.221 20 0 EDADLP OC[C@]1(O)CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000459632580 447726452 /nfs/dbraw/zinc/72/64/52/447726452.db2.gz LQWOSKWTJYDDFE-OALUTQOASA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@]1(O)CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000459632580 447726458 /nfs/dbraw/zinc/72/64/58/447726458.db2.gz LQWOSKWTJYDDFE-OALUTQOASA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@]1(O)CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000459632580 447726463 /nfs/dbraw/zinc/72/64/63/447726463.db2.gz LQWOSKWTJYDDFE-OALUTQOASA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@]1(O)CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000459632580 447726470 /nfs/dbraw/zinc/72/64/70/447726470.db2.gz LQWOSKWTJYDDFE-OALUTQOASA-N 2 2 334.460 1.097 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000496184203 447736448 /nfs/dbraw/zinc/73/64/48/447736448.db2.gz CBOIAYITTNGQHL-LSDHHAIUSA-N 2 2 329.485 1.678 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000496184203 447736454 /nfs/dbraw/zinc/73/64/54/447736454.db2.gz CBOIAYITTNGQHL-LSDHHAIUSA-N 2 2 329.485 1.678 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000496184203 447736459 /nfs/dbraw/zinc/73/64/59/447736459.db2.gz CBOIAYITTNGQHL-LSDHHAIUSA-N 2 2 329.485 1.678 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000496184203 447736462 /nfs/dbraw/zinc/73/64/62/447736462.db2.gz CBOIAYITTNGQHL-LSDHHAIUSA-N 2 2 329.485 1.678 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@H]2C[NH2+]CC[C@H]2C)N2CCOCC2)cc1 ZINC000422751922 447738575 /nfs/dbraw/zinc/73/85/75/447738575.db2.gz DGOOVPLHGNTMQB-MNEFBYGVSA-N 2 2 333.476 1.656 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[C@@H]1[NH3+] ZINC000417266947 447738965 /nfs/dbraw/zinc/73/89/65/447738965.db2.gz FZYMKUPKRQHVRJ-DOMZBBRYSA-N 2 2 331.395 1.890 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422754086 447739207 /nfs/dbraw/zinc/73/92/07/447739207.db2.gz DPSDEQCPVNOJOB-APWZRJJASA-N 2 2 345.487 1.895 20 0 EDADLP COc1ccc([C@@H](C[NH2+][C@@H]2CC[NH2+]C2)N2CCOCC2)cc1OC ZINC000422773472 447747123 /nfs/dbraw/zinc/74/71/23/447747123.db2.gz UCDOTWNOIPBWHT-HZPDHXFCSA-N 2 2 335.448 1.029 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000422798914 447752949 /nfs/dbraw/zinc/75/29/49/447752949.db2.gz UEYUMCGOCWWQOS-QGZVFWFLSA-N 2 2 348.491 1.382 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000422798914 447752956 /nfs/dbraw/zinc/75/29/56/447752956.db2.gz UEYUMCGOCWWQOS-QGZVFWFLSA-N 2 2 348.491 1.382 20 0 EDADLP C[C@H]([NH2+][C@@H](CO)c1ccnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459725764 447753163 /nfs/dbraw/zinc/75/31/63/447753163.db2.gz XJFKIGPIBCIFAW-JQHSSLGASA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@@H](CO)c1ccnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459725764 447753166 /nfs/dbraw/zinc/75/31/66/447753166.db2.gz XJFKIGPIBCIFAW-JQHSSLGASA-N 2 2 328.460 1.954 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000422799547 447753697 /nfs/dbraw/zinc/75/36/97/447753697.db2.gz XFOWRILXUQOQNY-RRQGHBQHSA-N 2 2 328.416 1.817 20 0 EDADLP FC(F)(F)COc1ncccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422824411 447760773 /nfs/dbraw/zinc/76/07/73/447760773.db2.gz HBCOFAOZUQFKHL-KGLIPLIRSA-N 2 2 345.365 1.879 20 0 EDADLP c1nn(Cc2ccccc2)cc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422829332 447762809 /nfs/dbraw/zinc/76/28/09/447762809.db2.gz HHKCLNSYUKLBGA-RBUKOAKNSA-N 2 2 326.444 1.788 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1)[NH+](CC)CC ZINC000471757707 447812876 /nfs/dbraw/zinc/81/28/76/447812876.db2.gz RPTAUHNUCGDUNJ-LSDHHAIUSA-N 2 2 327.469 1.203 20 0 EDADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422878192 447770469 /nfs/dbraw/zinc/77/04/69/447770469.db2.gz JIRCQWFTZWFALG-KURKYZTESA-N 3 2 338.540 1.830 20 0 EDADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422878192 447770472 /nfs/dbraw/zinc/77/04/72/447770472.db2.gz JIRCQWFTZWFALG-KURKYZTESA-N 3 2 338.540 1.830 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000430549798 447775910 /nfs/dbraw/zinc/77/59/10/447775910.db2.gz JJFQKUWQLRWSGG-CYBMUJFWSA-N 2 2 337.420 1.464 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2CCC[C@@H]2C[NH3+])cc(OC)c1OC ZINC000430549798 447775912 /nfs/dbraw/zinc/77/59/12/447775912.db2.gz JJFQKUWQLRWSGG-CYBMUJFWSA-N 2 2 337.420 1.464 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422958559 447780789 /nfs/dbraw/zinc/78/07/89/447780789.db2.gz PLYNBAPFLKWBPX-WBVHZDCISA-N 2 2 331.460 1.713 20 0 EDADLP C[C@H](C(=O)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1)[NH+]1CCSCC1 ZINC000430712722 447784381 /nfs/dbraw/zinc/78/43/81/447784381.db2.gz IELXCLKETGLBGU-CABCVRRESA-N 2 2 348.516 1.973 20 0 EDADLP COCCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000422977553 447786300 /nfs/dbraw/zinc/78/63/00/447786300.db2.gz XAFXXHGVZMCHFX-ZACQAIPSSA-N 2 2 335.448 1.354 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000422979890 447786571 /nfs/dbraw/zinc/78/65/71/447786571.db2.gz NUVFLNNSMFKBSN-GSEOLPGOSA-N 3 2 347.503 1.226 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000422979890 447786576 /nfs/dbraw/zinc/78/65/76/447786576.db2.gz NUVFLNNSMFKBSN-GSEOLPGOSA-N 3 2 347.503 1.226 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)nc1 ZINC000423030429 447794784 /nfs/dbraw/zinc/79/47/84/447794784.db2.gz JROGLJKXNSOBOA-CJNGLKHVSA-N 2 2 332.448 1.567 20 0 EDADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)s1 ZINC000423088823 447803065 /nfs/dbraw/zinc/80/30/65/447803065.db2.gz SZEMXUWMNGBLNE-UKRRQHHQSA-N 2 2 344.502 1.398 20 0 EDADLP CO[C@H]1C[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C[C@@H]1OC ZINC000488560438 447848794 /nfs/dbraw/zinc/84/87/94/447848794.db2.gz PBGUMRNOIFXTEC-KBPBESRZSA-N 2 2 325.478 1.755 20 0 EDADLP CO[C@H]1C[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C[C@@H]1OC ZINC000488560438 447848795 /nfs/dbraw/zinc/84/87/95/447848795.db2.gz PBGUMRNOIFXTEC-KBPBESRZSA-N 2 2 325.478 1.755 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100744 447855805 /nfs/dbraw/zinc/85/58/05/447855805.db2.gz RSLUAILNSIVNSS-QAPCUYQASA-N 2 2 341.496 1.632 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100744 447855809 /nfs/dbraw/zinc/85/58/09/447855809.db2.gz RSLUAILNSIVNSS-QAPCUYQASA-N 2 2 341.496 1.632 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100744 447855810 /nfs/dbraw/zinc/85/58/10/447855810.db2.gz RSLUAILNSIVNSS-QAPCUYQASA-N 2 2 341.496 1.632 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100744 447855814 /nfs/dbraw/zinc/85/58/14/447855814.db2.gz RSLUAILNSIVNSS-QAPCUYQASA-N 2 2 341.496 1.632 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000496720391 447855890 /nfs/dbraw/zinc/85/58/90/447855890.db2.gz WZERQFCXRCMIEF-HNNXBMFYSA-N 2 2 329.485 1.848 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000496720391 447855894 /nfs/dbraw/zinc/85/58/94/447855894.db2.gz WZERQFCXRCMIEF-HNNXBMFYSA-N 2 2 329.485 1.848 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000569787112 447888887 /nfs/dbraw/zinc/88/88/87/447888887.db2.gz LSBQXHAWTQHBGF-WNKDZCFJSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000569787112 447888892 /nfs/dbraw/zinc/88/88/92/447888892.db2.gz LSBQXHAWTQHBGF-WNKDZCFJSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000569787112 447888896 /nfs/dbraw/zinc/88/88/96/447888896.db2.gz LSBQXHAWTQHBGF-WNKDZCFJSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000569787112 447888902 /nfs/dbraw/zinc/88/89/02/447888902.db2.gz LSBQXHAWTQHBGF-WNKDZCFJSA-N 2 2 338.496 1.412 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000530465196 447892047 /nfs/dbraw/zinc/89/20/47/447892047.db2.gz JOWSIEFACCIDRM-IEBWSBKVSA-N 2 2 326.444 1.906 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C1 ZINC000530465196 447892050 /nfs/dbraw/zinc/89/20/50/447892050.db2.gz JOWSIEFACCIDRM-IEBWSBKVSA-N 2 2 326.444 1.906 20 0 EDADLP C[C@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC000523666006 447896804 /nfs/dbraw/zinc/89/68/04/447896804.db2.gz MPVPVPRCNHPEQG-MRXNPFEDSA-N 2 2 348.495 1.357 20 0 EDADLP O=C1CCc2cc(OC[C@H](O)C[NH2+]CCCn3cc[nH+]c3)ccc2N1 ZINC000576030026 447953672 /nfs/dbraw/zinc/95/36/72/447953672.db2.gz KHECCOOOWYVYKC-OAHLLOKOSA-N 2 2 344.415 1.187 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037962 447955993 /nfs/dbraw/zinc/95/59/93/447955993.db2.gz IZTGIHNVZFNOKR-FUHWJXTLSA-N 3 2 348.466 1.139 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037962 447956000 /nfs/dbraw/zinc/95/60/00/447956000.db2.gz IZTGIHNVZFNOKR-FUHWJXTLSA-N 3 2 348.466 1.139 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037962 447956007 /nfs/dbraw/zinc/95/60/07/447956007.db2.gz IZTGIHNVZFNOKR-FUHWJXTLSA-N 3 2 348.466 1.139 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037962 447956013 /nfs/dbraw/zinc/95/60/13/447956013.db2.gz IZTGIHNVZFNOKR-FUHWJXTLSA-N 3 2 348.466 1.139 20 0 EDADLP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000530816165 447963648 /nfs/dbraw/zinc/96/36/48/447963648.db2.gz VVBSHUFENGDQDW-INIZCTEOSA-N 2 2 331.460 1.590 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000530816165 447963649 /nfs/dbraw/zinc/96/36/49/447963649.db2.gz VVBSHUFENGDQDW-INIZCTEOSA-N 2 2 331.460 1.590 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000524491839 447934186 /nfs/dbraw/zinc/93/41/86/447934186.db2.gz XVLYMUVHCVESRQ-INIZCTEOSA-N 2 2 329.448 1.146 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000524491839 447934192 /nfs/dbraw/zinc/93/41/92/447934192.db2.gz XVLYMUVHCVESRQ-INIZCTEOSA-N 2 2 329.448 1.146 20 0 EDADLP CCN1c2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2CCC1=O ZINC000575971218 447939741 /nfs/dbraw/zinc/93/97/41/447939741.db2.gz QWQCLEKFCQVZNO-HNNXBMFYSA-N 2 2 345.447 1.092 20 0 EDADLP CCN1c2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2CCC1=O ZINC000575971218 447939745 /nfs/dbraw/zinc/93/97/45/447939745.db2.gz QWQCLEKFCQVZNO-HNNXBMFYSA-N 2 2 345.447 1.092 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000570292068 447981206 /nfs/dbraw/zinc/98/12/06/447981206.db2.gz PRJUPZZCGOZGQN-ZENOOKHLSA-N 2 2 328.478 1.279 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000570292068 447981211 /nfs/dbraw/zinc/98/12/11/447981211.db2.gz PRJUPZZCGOZGQN-ZENOOKHLSA-N 2 2 328.478 1.279 20 0 EDADLP CC[C@@H](Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000497227478 447981503 /nfs/dbraw/zinc/98/15/03/447981503.db2.gz NTZWZPDCUJLDFG-CVEARBPZSA-N 2 2 347.463 1.913 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000576170724 447990716 /nfs/dbraw/zinc/99/07/16/447990716.db2.gz SSBBKWWRBJFFTD-ARFHVFGLSA-N 2 2 348.491 1.936 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000576170724 447990721 /nfs/dbraw/zinc/99/07/21/447990721.db2.gz SSBBKWWRBJFFTD-ARFHVFGLSA-N 2 2 348.491 1.936 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000570567705 448031789 /nfs/dbraw/zinc/03/17/89/448031789.db2.gz MHNVJLDEEUNNRC-ZIAGYGMSSA-N 2 2 333.432 1.321 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000570567705 448031793 /nfs/dbraw/zinc/03/17/93/448031793.db2.gz MHNVJLDEEUNNRC-ZIAGYGMSSA-N 2 2 333.432 1.321 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000555808486 448091939 /nfs/dbraw/zinc/09/19/39/448091939.db2.gz YYHQZSKSXAZFDM-ZMSDIMECSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000555808486 448091943 /nfs/dbraw/zinc/09/19/43/448091943.db2.gz YYHQZSKSXAZFDM-ZMSDIMECSA-N 2 2 338.496 1.412 20 0 EDADLP COCCN1CC[C@@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000577098327 448210793 /nfs/dbraw/zinc/21/07/93/448210793.db2.gz ZAPKAKWRDRJAPD-IAGOWNOFSA-N 2 2 346.475 1.324 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000514675797 448185480 /nfs/dbraw/zinc/18/54/80/448185480.db2.gz WYUWSOCSCICZST-JKSUJKDBSA-N 2 2 346.475 1.595 20 0 EDADLP C[NH+]1CCC(CNC(=O)CC(F)(F)C[NH3+])([NH+]2CCCCC2)CC1 ZINC000514794759 448204652 /nfs/dbraw/zinc/20/46/52/448204652.db2.gz FARHMMPGKALVIH-UHFFFAOYSA-N 3 2 332.439 1.037 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000577191037 448232799 /nfs/dbraw/zinc/23/27/99/448232799.db2.gz YPJYQVFMINAEAO-SUMWQHHRSA-N 2 2 328.416 1.794 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000577191037 448232815 /nfs/dbraw/zinc/23/28/15/448232815.db2.gz YPJYQVFMINAEAO-SUMWQHHRSA-N 2 2 328.416 1.794 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000571861005 448219993 /nfs/dbraw/zinc/21/99/93/448219993.db2.gz OOLJKACGIIVVNV-KRWDZBQOSA-N 2 2 334.464 1.585 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000571861005 448220000 /nfs/dbraw/zinc/22/00/00/448220000.db2.gz OOLJKACGIIVVNV-KRWDZBQOSA-N 2 2 334.464 1.585 20 0 EDADLP Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000577166190 448223290 /nfs/dbraw/zinc/22/32/90/448223290.db2.gz XKAQSEDGEUNAGA-KRWDZBQOSA-N 2 2 341.459 1.448 20 0 EDADLP Cc1ccccc1Cc1noc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000577166190 448223296 /nfs/dbraw/zinc/22/32/96/448223296.db2.gz XKAQSEDGEUNAGA-KRWDZBQOSA-N 2 2 341.459 1.448 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000591080363 448256138 /nfs/dbraw/zinc/25/61/38/448256138.db2.gz GJUTWGSKGBUEES-QGZVFWFLSA-N 2 2 344.459 1.429 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000591080363 448256142 /nfs/dbraw/zinc/25/61/42/448256142.db2.gz GJUTWGSKGBUEES-QGZVFWFLSA-N 2 2 344.459 1.429 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000591095613 448260227 /nfs/dbraw/zinc/26/02/27/448260227.db2.gz RGGSBCWMQNWFMD-OAHLLOKOSA-N 2 2 344.459 1.157 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000591095613 448260235 /nfs/dbraw/zinc/26/02/35/448260235.db2.gz RGGSBCWMQNWFMD-OAHLLOKOSA-N 2 2 344.459 1.157 20 0 EDADLP C[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)[N@H+](C)Cc1ccccc1 ZINC000572026299 448265854 /nfs/dbraw/zinc/26/58/54/448265854.db2.gz YQRNSNUSVGRKEU-ICXUMSERSA-N 2 2 344.459 1.617 20 0 EDADLP C[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)[N@@H+](C)Cc1ccccc1 ZINC000572026299 448265860 /nfs/dbraw/zinc/26/58/60/448265860.db2.gz YQRNSNUSVGRKEU-ICXUMSERSA-N 2 2 344.459 1.617 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000591281836 448305253 /nfs/dbraw/zinc/30/52/53/448305253.db2.gz OCAGDACEVNIBMH-WHOFXGATSA-N 2 2 337.395 1.480 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000577606713 448340538 /nfs/dbraw/zinc/34/05/38/448340538.db2.gz HXGKRHMYIKWZBE-HNNXBMFYSA-N 2 2 334.445 1.400 20 0 EDADLP COc1c(N)[nH+]cnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000577650521 448353183 /nfs/dbraw/zinc/35/31/83/448353183.db2.gz WFAXTWJBSHGGIQ-ZIAGYGMSSA-N 2 2 349.479 1.783 20 0 EDADLP COc1c(N)nc[nH+]c1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000577650521 448353190 /nfs/dbraw/zinc/35/31/90/448353190.db2.gz WFAXTWJBSHGGIQ-ZIAGYGMSSA-N 2 2 349.479 1.783 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)NC(=O)NCc1ccccc1 ZINC000591449578 448368344 /nfs/dbraw/zinc/36/83/44/448368344.db2.gz WWXIAHSHZGJTRH-HOTGVXAUSA-N 2 2 330.432 1.086 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)NC(=O)NCc1ccccc1 ZINC000591449578 448368348 /nfs/dbraw/zinc/36/83/48/448368348.db2.gz WWXIAHSHZGJTRH-HOTGVXAUSA-N 2 2 330.432 1.086 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)o1 ZINC000591344445 448332848 /nfs/dbraw/zinc/33/28/48/448332848.db2.gz IEPSWOUBDXWVOT-CABCVRRESA-N 2 2 337.464 1.960 20 0 EDADLP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000515638045 448336528 /nfs/dbraw/zinc/33/65/28/448336528.db2.gz OLFSQCFKHXDZOJ-HOCLYGCPSA-N 2 2 340.489 1.284 20 0 EDADLP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000515638045 448336531 /nfs/dbraw/zinc/33/65/31/448336531.db2.gz OLFSQCFKHXDZOJ-HOCLYGCPSA-N 2 2 340.489 1.284 20 0 EDADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000591574030 448393318 /nfs/dbraw/zinc/39/33/18/448393318.db2.gz UWRZDWHFYOCVBS-VVLHAWIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000591574030 448393323 /nfs/dbraw/zinc/39/33/23/448393323.db2.gz UWRZDWHFYOCVBS-VVLHAWIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000591574030 448393330 /nfs/dbraw/zinc/39/33/30/448393330.db2.gz UWRZDWHFYOCVBS-VVLHAWIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000591574030 448393334 /nfs/dbraw/zinc/39/33/34/448393334.db2.gz UWRZDWHFYOCVBS-VVLHAWIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000577831453 448396040 /nfs/dbraw/zinc/39/60/40/448396040.db2.gz LMTNDTCWUIUCCQ-WCQYABFASA-N 2 2 342.390 1.633 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000577831453 448396043 /nfs/dbraw/zinc/39/60/43/448396043.db2.gz LMTNDTCWUIUCCQ-WCQYABFASA-N 2 2 342.390 1.633 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000572585377 448414514 /nfs/dbraw/zinc/41/45/14/448414514.db2.gz FIXIQADLYHWWNP-MRXNPFEDSA-N 2 2 342.443 1.503 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000572585377 448414517 /nfs/dbraw/zinc/41/45/17/448414517.db2.gz FIXIQADLYHWWNP-MRXNPFEDSA-N 2 2 342.443 1.503 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)cn2c1 ZINC000582901947 448373262 /nfs/dbraw/zinc/37/32/62/448373262.db2.gz XWUFFNDUOWZZIF-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)cn2c1 ZINC000582901947 448373268 /nfs/dbraw/zinc/37/32/68/448373268.db2.gz XWUFFNDUOWZZIF-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCN1CCc2ccccc21 ZINC000577955858 448425526 /nfs/dbraw/zinc/42/55/26/448425526.db2.gz JVDNOULJFVZDFZ-FQEVSTJZSA-N 2 2 342.487 1.241 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCN1CCc2ccccc21 ZINC000577955858 448425531 /nfs/dbraw/zinc/42/55/31/448425531.db2.gz JVDNOULJFVZDFZ-FQEVSTJZSA-N 2 2 342.487 1.241 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000572732962 448451431 /nfs/dbraw/zinc/45/14/31/448451431.db2.gz VONFYTOCIQJKQM-CYBMUJFWSA-N 2 2 338.452 1.320 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000572732962 448451438 /nfs/dbraw/zinc/45/14/38/448451438.db2.gz VONFYTOCIQJKQM-CYBMUJFWSA-N 2 2 338.452 1.320 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000572803071 448465992 /nfs/dbraw/zinc/46/59/92/448465992.db2.gz PYKMUWZZAKOXKU-OCCSQVGLSA-N 2 2 329.404 1.071 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000578130408 448467958 /nfs/dbraw/zinc/46/79/58/448467958.db2.gz JKBSMEFQJKBFGN-QWHCGFSZSA-N 2 2 325.482 1.486 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000578130408 448467962 /nfs/dbraw/zinc/46/79/62/448467962.db2.gz JKBSMEFQJKBFGN-QWHCGFSZSA-N 2 2 325.482 1.486 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000584350457 448494086 /nfs/dbraw/zinc/49/40/86/448494086.db2.gz KTAVTNRBXGZTOV-AEFFLSMTSA-N 2 2 337.414 1.950 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)NCCc3cn(C)c[nH+]3)CC2)c1 ZINC000516912338 448492938 /nfs/dbraw/zinc/49/29/38/448492938.db2.gz WPMHVMMQLNSZHR-UHFFFAOYSA-N 2 2 341.459 1.798 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000584350457 448494091 /nfs/dbraw/zinc/49/40/91/448494091.db2.gz KTAVTNRBXGZTOV-AEFFLSMTSA-N 2 2 337.414 1.950 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000566561622 448507641 /nfs/dbraw/zinc/50/76/41/448507641.db2.gz KTQDQGZHHMZZGU-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000566561622 448507643 /nfs/dbraw/zinc/50/76/43/448507643.db2.gz KTQDQGZHHMZZGU-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000572960788 448507960 /nfs/dbraw/zinc/50/79/60/448507960.db2.gz OZVZCMWLHZLPFD-GJZGRUSLSA-N 2 2 326.412 1.002 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000572960788 448507968 /nfs/dbraw/zinc/50/79/68/448507968.db2.gz OZVZCMWLHZLPFD-GJZGRUSLSA-N 2 2 326.412 1.002 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCCOc1ccc(F)cc1 ZINC000591869472 448515769 /nfs/dbraw/zinc/51/57/69/448515769.db2.gz YHLHBBHCVACFBQ-INIZCTEOSA-N 2 2 346.406 1.854 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCCOc1ccc(F)cc1 ZINC000591869472 448515776 /nfs/dbraw/zinc/51/57/76/448515776.db2.gz YHLHBBHCVACFBQ-INIZCTEOSA-N 2 2 346.406 1.854 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000536607300 448533076 /nfs/dbraw/zinc/53/30/76/448533076.db2.gz LPWCEILNBASCNY-UHFFFAOYSA-N 2 2 325.420 1.748 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnnn1Cc1ccccc1 ZINC000536607300 448533082 /nfs/dbraw/zinc/53/30/82/448533082.db2.gz LPWCEILNBASCNY-UHFFFAOYSA-N 2 2 325.420 1.748 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)Cc1ccccc1 ZINC000566800304 448562230 /nfs/dbraw/zinc/56/22/30/448562230.db2.gz WUZOZTZGNPPLCD-WMZOPIPTSA-N 2 2 326.444 1.735 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](C)S(C)(=O)=O)c2cc1C ZINC000584715641 448604947 /nfs/dbraw/zinc/60/49/47/448604947.db2.gz XPFZBVYHTVEPID-UONOGXRCSA-N 2 2 339.461 1.037 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(C[C@H]3COCC[NH2+]3)n2)c1 ZINC000573305407 448591278 /nfs/dbraw/zinc/59/12/78/448591278.db2.gz BRAGNEBMSHOGMF-INIZCTEOSA-N 2 2 344.415 1.100 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(OC(F)F)cc2)[C@H](C[NH3+])C1 ZINC000584708319 448602854 /nfs/dbraw/zinc/60/28/54/448602854.db2.gz AULUZFZEHFELKT-CYBMUJFWSA-N 2 2 342.390 1.115 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccc(OC(F)F)cc2)[C@H](C[NH3+])C1 ZINC000584708319 448602861 /nfs/dbraw/zinc/60/28/61/448602861.db2.gz AULUZFZEHFELKT-CYBMUJFWSA-N 2 2 342.390 1.115 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC000573435758 448625390 /nfs/dbraw/zinc/62/53/90/448625390.db2.gz PQUWBTKCDZDIQI-STQMWFEESA-N 2 2 329.404 1.214 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC000573435758 448625394 /nfs/dbraw/zinc/62/53/94/448625394.db2.gz PQUWBTKCDZDIQI-STQMWFEESA-N 2 2 329.404 1.214 20 0 EDADLP CC[C@H](CS(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)OC ZINC000518160597 448649074 /nfs/dbraw/zinc/64/90/74/448649074.db2.gz PKGOBPBQQDGOLD-CYBMUJFWSA-N 2 2 342.465 1.000 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000518168524 448650235 /nfs/dbraw/zinc/65/02/35/448650235.db2.gz FUOCKFVVKNDYGH-HOTGVXAUSA-N 2 2 347.459 1.608 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000518168524 448650241 /nfs/dbraw/zinc/65/02/41/448650241.db2.gz FUOCKFVVKNDYGH-HOTGVXAUSA-N 2 2 347.459 1.608 20 0 EDADLP Cn1ccc(CCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000584853974 448658283 /nfs/dbraw/zinc/65/82/83/448658283.db2.gz AHTGFWJLNNARQT-UHFFFAOYSA-N 2 2 347.507 1.419 20 0 EDADLP Cc1ccc(OCCCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000567335642 448667088 /nfs/dbraw/zinc/66/70/88/448667088.db2.gz KODWOMIFMGQFCF-MRXNPFEDSA-N 2 2 334.464 1.438 20 0 EDADLP Cc1ccc(OCCCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000567335642 448667093 /nfs/dbraw/zinc/66/70/93/448667093.db2.gz KODWOMIFMGQFCF-MRXNPFEDSA-N 2 2 334.464 1.438 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567344860 448670407 /nfs/dbraw/zinc/67/04/07/448670407.db2.gz FMBWLVKACXUBHR-HOCLYGCPSA-N 2 2 330.457 1.876 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567344860 448670410 /nfs/dbraw/zinc/67/04/10/448670410.db2.gz FMBWLVKACXUBHR-HOCLYGCPSA-N 2 2 330.457 1.876 20 0 EDADLP Cn1cc(-c2ncc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cn1 ZINC000567161464 448626548 /nfs/dbraw/zinc/62/65/48/448626548.db2.gz DPBXDNKICSMEIK-QGZVFWFLSA-N 2 2 336.399 1.925 20 0 EDADLP Cn1cc(-c2ncc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cn1 ZINC000567161464 448626554 /nfs/dbraw/zinc/62/65/54/448626554.db2.gz DPBXDNKICSMEIK-QGZVFWFLSA-N 2 2 336.399 1.925 20 0 EDADLP CC(C)Oc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1Cl ZINC000567408050 448687311 /nfs/dbraw/zinc/68/73/11/448687311.db2.gz UZJLMQHLFIHCGZ-UKRRQHHQSA-N 2 2 337.851 1.871 20 0 EDADLP CC(C)Oc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1Cl ZINC000567408050 448687314 /nfs/dbraw/zinc/68/73/14/448687314.db2.gz UZJLMQHLFIHCGZ-UKRRQHHQSA-N 2 2 337.851 1.871 20 0 EDADLP COc1ccc(Cl)cc1NCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000573681479 448688000 /nfs/dbraw/zinc/68/80/00/448688000.db2.gz IOQSASHYLSZFFM-ZDUSSCGKSA-N 2 2 340.855 1.252 20 0 EDADLP COc1ccc(Cl)cc1NCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000573681479 448688004 /nfs/dbraw/zinc/68/80/04/448688004.db2.gz IOQSASHYLSZFFM-ZDUSSCGKSA-N 2 2 340.855 1.252 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2nc(C(C)(C)C)cs2)CC1 ZINC000573713026 448697226 /nfs/dbraw/zinc/69/72/26/448697226.db2.gz POHYCVYOHMCDEK-CYBMUJFWSA-N 2 2 326.510 1.139 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCCn1cc[nH+]c1 ZINC000579038005 448700621 /nfs/dbraw/zinc/70/06/21/448700621.db2.gz FBYVBWDPIMXJKS-CVEARBPZSA-N 2 2 335.452 1.168 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541533897 448677450 /nfs/dbraw/zinc/67/74/50/448677450.db2.gz FYCRXPZDJCXQBI-GFCCVEGCSA-N 2 2 340.474 1.447 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000541533897 448677455 /nfs/dbraw/zinc/67/74/55/448677455.db2.gz FYCRXPZDJCXQBI-GFCCVEGCSA-N 2 2 340.474 1.447 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000541543122 448679702 /nfs/dbraw/zinc/67/97/02/448679702.db2.gz VURFFZQRIUOELC-GOSISDBHSA-N 2 2 342.443 1.370 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000541543122 448679705 /nfs/dbraw/zinc/67/97/05/448679705.db2.gz VURFFZQRIUOELC-GOSISDBHSA-N 2 2 342.443 1.370 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c[nH]nc3C3CC3)CC2)CC1 ZINC000519380606 448763260 /nfs/dbraw/zinc/76/32/60/448763260.db2.gz ANPVJDKVOYXNQS-UHFFFAOYSA-N 2 2 345.491 1.919 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c[nH]nc3C3CC3)CC2)CC1 ZINC000519380606 448763264 /nfs/dbraw/zinc/76/32/64/448763264.db2.gz ANPVJDKVOYXNQS-UHFFFAOYSA-N 2 2 345.491 1.919 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000519382251 448763713 /nfs/dbraw/zinc/76/37/13/448763713.db2.gz SDZVFHWXOLQGTP-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000567678285 448733919 /nfs/dbraw/zinc/73/39/19/448733919.db2.gz OYKINOPCTBFDBP-INIZCTEOSA-N 2 2 347.459 1.881 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC(=O)N3CCCC3)c2cc1C ZINC000567680120 448735785 /nfs/dbraw/zinc/73/57/85/448735785.db2.gz PRAORIXARDLBBO-HNNXBMFYSA-N 2 2 330.432 1.226 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000543096015 448737410 /nfs/dbraw/zinc/73/74/10/448737410.db2.gz VALBDHYAAYSQEY-JKSUJKDBSA-N 2 2 334.464 1.405 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cc(C)nn3C)CC2)CC1 ZINC000579234338 448748549 /nfs/dbraw/zinc/74/85/49/448748549.db2.gz AGIZHZPKHMZWRA-UHFFFAOYSA-N 2 2 347.507 1.290 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3cc(C)nn3C)CC2)CC1 ZINC000579234338 448748554 /nfs/dbraw/zinc/74/85/54/448748554.db2.gz AGIZHZPKHMZWRA-UHFFFAOYSA-N 2 2 347.507 1.290 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000573931404 448751252 /nfs/dbraw/zinc/75/12/52/448751252.db2.gz UKGWDPQCRBJHTG-OAHLLOKOSA-N 2 2 332.448 1.595 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000573931404 448751257 /nfs/dbraw/zinc/75/12/57/448751257.db2.gz UKGWDPQCRBJHTG-OAHLLOKOSA-N 2 2 332.448 1.595 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000545862408 448804071 /nfs/dbraw/zinc/80/40/71/448804071.db2.gz RZEHPNBDMBNOMV-UHFFFAOYSA-N 2 2 345.491 1.400 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000545862408 448804078 /nfs/dbraw/zinc/80/40/78/448804078.db2.gz RZEHPNBDMBNOMV-UHFFFAOYSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n[nH]1 ZINC000579483450 448806669 /nfs/dbraw/zinc/80/66/69/448806669.db2.gz UYLUWYAAGCQTOY-GXTWGEPZSA-N 2 2 342.447 1.696 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n[nH]1 ZINC000579483450 448806673 /nfs/dbraw/zinc/80/66/73/448806673.db2.gz UYLUWYAAGCQTOY-GXTWGEPZSA-N 2 2 342.447 1.696 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529309658 448815782 /nfs/dbraw/zinc/81/57/82/448815782.db2.gz LQARXWRPCBIEHG-MRXNPFEDSA-N 2 2 325.416 1.956 20 0 EDADLP O=C1C[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162990 448824734 /nfs/dbraw/zinc/82/47/34/448824734.db2.gz MGISCQZSJOHMOG-ULQDDVLXSA-N 2 2 327.428 1.388 20 0 EDADLP O=C1C[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162990 448824736 /nfs/dbraw/zinc/82/47/36/448824736.db2.gz MGISCQZSJOHMOG-ULQDDVLXSA-N 2 2 327.428 1.388 20 0 EDADLP O=C1C[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162990 448824740 /nfs/dbraw/zinc/82/47/40/448824740.db2.gz MGISCQZSJOHMOG-ULQDDVLXSA-N 2 2 327.428 1.388 20 0 EDADLP O=C1C[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162990 448824745 /nfs/dbraw/zinc/82/47/45/448824745.db2.gz MGISCQZSJOHMOG-ULQDDVLXSA-N 2 2 327.428 1.388 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000568169307 448829603 /nfs/dbraw/zinc/82/96/03/448829603.db2.gz GSZAIDQKMFZZSP-AWEZNQCLSA-N 2 2 345.285 1.595 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000568169307 448829606 /nfs/dbraw/zinc/82/96/06/448829606.db2.gz GSZAIDQKMFZZSP-AWEZNQCLSA-N 2 2 345.285 1.595 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC(=O)NCc1ccccc1 ZINC000592476553 448853296 /nfs/dbraw/zinc/85/32/96/448853296.db2.gz ZQQTVVMLBHQGGO-IAGOWNOFSA-N 2 2 344.459 1.476 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC(=O)NCc1ccccc1 ZINC000592476553 448853298 /nfs/dbraw/zinc/85/32/98/448853298.db2.gz ZQQTVVMLBHQGGO-IAGOWNOFSA-N 2 2 344.459 1.476 20 0 EDADLP Cc1ccccc1-c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n(C)n1 ZINC000579688339 448852635 /nfs/dbraw/zinc/85/26/35/448852635.db2.gz NHULUYOXOFJYQJ-CQSZACIVSA-N 2 2 342.447 1.502 20 0 EDADLP C[N@@H+](CCN1CCCC1=O)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000568380005 448865181 /nfs/dbraw/zinc/86/51/81/448865181.db2.gz POFCOIQHEQWEGY-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000579822125 448884326 /nfs/dbraw/zinc/88/43/26/448884326.db2.gz LABVOZBRXFYMGY-UHFFFAOYSA-N 3 2 348.495 1.085 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000579822125 448884329 /nfs/dbraw/zinc/88/43/29/448884329.db2.gz LABVOZBRXFYMGY-UHFFFAOYSA-N 3 2 348.495 1.085 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC[N@@H+]1CCOC ZINC000574694592 448934889 /nfs/dbraw/zinc/93/48/89/448934889.db2.gz OAMPYYHEYFZQOR-MJGOQNOKSA-N 2 2 345.487 1.833 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC[N@H+]1CCOC ZINC000574694592 448934891 /nfs/dbraw/zinc/93/48/91/448934891.db2.gz OAMPYYHEYFZQOR-MJGOQNOKSA-N 2 2 345.487 1.833 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000588642687 448906149 /nfs/dbraw/zinc/90/61/49/448906149.db2.gz OGPWOQVMWWLOKM-QGZVFWFLSA-N 2 2 342.443 1.590 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000588642687 448906152 /nfs/dbraw/zinc/90/61/52/448906152.db2.gz OGPWOQVMWWLOKM-QGZVFWFLSA-N 2 2 342.443 1.590 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568749948 448912552 /nfs/dbraw/zinc/91/25/52/448912552.db2.gz OQUGUKDRVUJORP-YJBOKZPZSA-N 2 2 334.464 2.556 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568749948 448912561 /nfs/dbraw/zinc/91/25/61/448912561.db2.gz OQUGUKDRVUJORP-YJBOKZPZSA-N 2 2 334.464 2.556 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000574699960 448936145 /nfs/dbraw/zinc/93/61/45/448936145.db2.gz QTMBLORJITWNEE-UHFFFAOYSA-N 2 2 331.794 1.968 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000568856470 448926445 /nfs/dbraw/zinc/92/64/45/448926445.db2.gz FQGBOPWFHFOOHN-IPYPFGDCSA-N 2 2 337.851 1.802 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC[N@@H+]1CCOC ZINC000574694590 448934740 /nfs/dbraw/zinc/93/47/40/448934740.db2.gz OAMPYYHEYFZQOR-HKUYNNGSSA-N 2 2 345.487 1.833 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC[N@H+]1CCOC ZINC000574694590 448934748 /nfs/dbraw/zinc/93/47/48/448934748.db2.gz OAMPYYHEYFZQOR-HKUYNNGSSA-N 2 2 345.487 1.833 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H](C)[NH+]2CC(C)C2)cc1 ZINC000529836957 448979960 /nfs/dbraw/zinc/97/99/60/448979960.db2.gz ROELVIIEGFYWGC-RDJZCZTQSA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H](C)[NH+]2CC(C)C2)cc1 ZINC000529836957 448979966 /nfs/dbraw/zinc/97/99/66/448979966.db2.gz ROELVIIEGFYWGC-RDJZCZTQSA-N 2 2 331.460 1.726 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569366831 449014973 /nfs/dbraw/zinc/01/49/73/449014973.db2.gz MYYLKHBAEKWGPM-IAGOWNOFSA-N 2 2 326.444 1.735 20 0 EDADLP COc1ccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(F)c1 ZINC000575064944 449026975 /nfs/dbraw/zinc/02/69/75/449026975.db2.gz UPSZVRMIMNUIRT-UHFFFAOYSA-N 2 2 337.439 1.867 20 0 EDADLP c1c[nH+]c(C2CCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)CC2)[nH]1 ZINC000548681102 449081416 /nfs/dbraw/zinc/08/14/16/449081416.db2.gz AWOKBOCLIUHAMU-AWEZNQCLSA-N 2 2 328.420 2.175 20 0 EDADLP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000569589134 449051646 /nfs/dbraw/zinc/05/16/46/449051646.db2.gz XFLWQMAVQVQYCX-QGZVFWFLSA-N 2 2 347.507 1.371 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000575192969 449058400 /nfs/dbraw/zinc/05/84/00/449058400.db2.gz SRIFCVNWFGSEHV-IAGOWNOFSA-N 2 2 342.430 1.911 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000575192969 449058401 /nfs/dbraw/zinc/05/84/01/449058401.db2.gz SRIFCVNWFGSEHV-IAGOWNOFSA-N 2 2 342.430 1.911 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000575192969 449058404 /nfs/dbraw/zinc/05/84/04/449058404.db2.gz SRIFCVNWFGSEHV-IAGOWNOFSA-N 2 2 342.430 1.911 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000575192969 449058405 /nfs/dbraw/zinc/05/84/05/449058405.db2.gz SRIFCVNWFGSEHV-IAGOWNOFSA-N 2 2 342.430 1.911 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[NH+](C)C3)c2C1 ZINC000589806125 449063105 /nfs/dbraw/zinc/06/31/05/449063105.db2.gz PFKMNCYQUVIHPK-HNNXBMFYSA-N 2 2 344.459 1.561 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[NH+](C)C3)c2C1 ZINC000589806125 449063111 /nfs/dbraw/zinc/06/31/11/449063111.db2.gz PFKMNCYQUVIHPK-HNNXBMFYSA-N 2 2 344.459 1.561 20 0 EDADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)c2C1 ZINC000589806125 449063116 /nfs/dbraw/zinc/06/31/16/449063116.db2.gz PFKMNCYQUVIHPK-HNNXBMFYSA-N 2 2 344.459 1.561 20 0 EDADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)c2C1 ZINC000589806125 449063122 /nfs/dbraw/zinc/06/31/22/449063122.db2.gz PFKMNCYQUVIHPK-HNNXBMFYSA-N 2 2 344.459 1.561 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc2ccccc2n1 ZINC000589840913 449067700 /nfs/dbraw/zinc/06/77/00/449067700.db2.gz YFEAUYYGRDMIDQ-SFHVURJKSA-N 2 2 341.459 1.662 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc2ccccc2n1 ZINC000589840913 449067704 /nfs/dbraw/zinc/06/77/04/449067704.db2.gz YFEAUYYGRDMIDQ-SFHVURJKSA-N 2 2 341.459 1.662 20 0 EDADLP CC(C)Oc1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000530225505 449087696 /nfs/dbraw/zinc/08/76/96/449087696.db2.gz ZWDMIVQAWIIFCD-UHFFFAOYSA-N 2 2 346.475 1.617 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000530241290 449092361 /nfs/dbraw/zinc/09/23/61/449092361.db2.gz PPOFLBZRBJSEEI-ZWKOTPCHSA-N 2 2 333.476 1.316 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000530241290 449092366 /nfs/dbraw/zinc/09/23/66/449092366.db2.gz PPOFLBZRBJSEEI-ZWKOTPCHSA-N 2 2 333.476 1.316 20 0 EDADLP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000593595745 449097105 /nfs/dbraw/zinc/09/71/05/449097105.db2.gz IQHATENZZKCIEZ-CVEARBPZSA-N 2 2 327.513 1.970 20 0 EDADLP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000593595745 449097108 /nfs/dbraw/zinc/09/71/08/449097108.db2.gz IQHATENZZKCIEZ-CVEARBPZSA-N 2 2 327.513 1.970 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593728934 449162892 /nfs/dbraw/zinc/16/28/92/449162892.db2.gz AVMDRXXWMANAGA-CZUORRHYSA-N 2 2 333.432 1.861 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593728934 449162897 /nfs/dbraw/zinc/16/28/97/449162897.db2.gz AVMDRXXWMANAGA-CZUORRHYSA-N 2 2 333.432 1.861 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604208244 449192298 /nfs/dbraw/zinc/19/22/98/449192298.db2.gz IGPCKRZWIQMCBD-CRAIPNDOSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604208244 449192301 /nfs/dbraw/zinc/19/23/01/449192301.db2.gz IGPCKRZWIQMCBD-CRAIPNDOSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000604208244 449192307 /nfs/dbraw/zinc/19/23/07/449192307.db2.gz IGPCKRZWIQMCBD-CRAIPNDOSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000604208244 449192311 /nfs/dbraw/zinc/19/23/11/449192311.db2.gz IGPCKRZWIQMCBD-CRAIPNDOSA-N 3 2 349.523 1.033 20 0 EDADLP c1nc2cc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)ccc2[nH]1 ZINC000604418152 449227452 /nfs/dbraw/zinc/22/74/52/449227452.db2.gz JHSSESLMOSUUID-INIZCTEOSA-N 2 2 329.448 1.059 20 0 EDADLP c1nc2ccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cc2[nH]1 ZINC000604418152 449227461 /nfs/dbraw/zinc/22/74/61/449227461.db2.gz JHSSESLMOSUUID-INIZCTEOSA-N 2 2 329.448 1.059 20 0 EDADLP COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000595904518 449244886 /nfs/dbraw/zinc/24/48/86/449244886.db2.gz FAVVCQLPMONWOM-YJBOKZPZSA-N 2 2 336.432 1.392 20 0 EDADLP COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000595904518 449244893 /nfs/dbraw/zinc/24/48/93/449244893.db2.gz FAVVCQLPMONWOM-YJBOKZPZSA-N 2 2 336.432 1.392 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000595931550 449262314 /nfs/dbraw/zinc/26/23/14/449262314.db2.gz HMNHOPDPAQIFHD-HNNXBMFYSA-N 2 2 327.469 1.095 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000595931550 449262319 /nfs/dbraw/zinc/26/23/19/449262319.db2.gz HMNHOPDPAQIFHD-HNNXBMFYSA-N 2 2 327.469 1.095 20 0 EDADLP CCOC(=O)c1sc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc1C(C)C ZINC000593922690 449289863 /nfs/dbraw/zinc/28/98/63/449289863.db2.gz DWSWYGOZCXKANV-SNVBAGLBSA-N 2 2 342.465 1.661 20 0 EDADLP COC(=O)c1sc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc1C(C)C ZINC000593926294 449292000 /nfs/dbraw/zinc/29/20/00/449292000.db2.gz TVEVETJIQMGQEB-SECBINFHSA-N 2 2 328.438 1.271 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000604774257 449294110 /nfs/dbraw/zinc/29/41/10/449294110.db2.gz MAIDEJLSWIBWDY-MSOLQXFVSA-N 2 2 345.487 1.928 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000604774257 449294119 /nfs/dbraw/zinc/29/41/19/449294119.db2.gz MAIDEJLSWIBWDY-MSOLQXFVSA-N 2 2 345.487 1.928 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000602123083 449362458 /nfs/dbraw/zinc/36/24/58/449362458.db2.gz TZGZTQYKVFJGMM-INIZCTEOSA-N 2 2 333.480 1.142 20 0 EDADLP COC(=O)c1ccc(-c2nc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000611774641 449414903 /nfs/dbraw/zinc/41/49/03/449414903.db2.gz IQSNYXLFNBZOOO-GJZGRUSLSA-N 2 2 327.384 1.779 20 0 EDADLP CCn1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000602194311 449423341 /nfs/dbraw/zinc/42/33/41/449423341.db2.gz GNUYDXLQAHYGJK-HNNXBMFYSA-N 2 2 333.480 1.418 20 0 EDADLP CCn1nc(C)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000602194311 449423344 /nfs/dbraw/zinc/42/33/44/449423344.db2.gz GNUYDXLQAHYGJK-HNNXBMFYSA-N 2 2 333.480 1.418 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4S3)C2)CC1 ZINC000602199918 449427268 /nfs/dbraw/zinc/42/72/68/449427268.db2.gz BPHWYOJZHKDQTF-CRAIPNDOSA-N 2 2 345.512 1.988 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4S3)C2)CC1 ZINC000602199918 449427274 /nfs/dbraw/zinc/42/72/74/449427274.db2.gz BPHWYOJZHKDQTF-CRAIPNDOSA-N 2 2 345.512 1.988 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614089561 449451517 /nfs/dbraw/zinc/45/15/17/449451517.db2.gz JOCZLGOLQPUFIK-GDBMZVCRSA-N 2 2 336.411 1.529 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000606898371 449540812 /nfs/dbraw/zinc/54/08/12/449540812.db2.gz KWZPWYBKHWZCJT-UHFFFAOYSA-N 2 2 329.452 1.215 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc(C)[nH+]1 ZINC000611988251 449507750 /nfs/dbraw/zinc/50/77/50/449507750.db2.gz OFHIOHYGYVPGFY-OAHLLOKOSA-N 2 2 332.448 1.304 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc(C)[nH+]1 ZINC000611988251 449507755 /nfs/dbraw/zinc/50/77/55/449507755.db2.gz OFHIOHYGYVPGFY-OAHLLOKOSA-N 2 2 332.448 1.304 20 0 EDADLP C[N@@H+]1CCC[C@H]1C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600728255 449520888 /nfs/dbraw/zinc/52/08/88/449520888.db2.gz SRMGMLNNQKOHGE-CSLYMUCUSA-N 2 2 326.481 1.933 20 0 EDADLP C[N@H+]1CCC[C@H]1C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600728255 449520894 /nfs/dbraw/zinc/52/08/94/449520894.db2.gz SRMGMLNNQKOHGE-CSLYMUCUSA-N 2 2 326.481 1.933 20 0 EDADLP c1cn(-c2cc(NCC[NH+]3CCN(c4ccccc4)CC3)ncn2)c[nH+]1 ZINC000607142799 449576793 /nfs/dbraw/zinc/57/67/93/449576793.db2.gz IXERJRKXPRYLKI-UHFFFAOYSA-N 2 2 349.442 1.896 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000594587186 449585795 /nfs/dbraw/zinc/58/57/95/449585795.db2.gz QKCVCJDNSFIZPF-YESZJQIVSA-N 3 2 337.508 1.914 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000594587186 449585800 /nfs/dbraw/zinc/58/58/00/449585800.db2.gz QKCVCJDNSFIZPF-YESZJQIVSA-N 3 2 337.508 1.914 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607348009 449600025 /nfs/dbraw/zinc/60/00/25/449600025.db2.gz TYVRFFUQTBUFJU-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607348009 449600027 /nfs/dbraw/zinc/60/00/27/449600027.db2.gz TYVRFFUQTBUFJU-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607348009 449600028 /nfs/dbraw/zinc/60/00/28/449600028.db2.gz TYVRFFUQTBUFJU-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607348009 449600033 /nfs/dbraw/zinc/60/00/33/449600033.db2.gz TYVRFFUQTBUFJU-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CCOC(=O)c1cnc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000614507915 449656903 /nfs/dbraw/zinc/65/69/03/449656903.db2.gz UKHKQDUTGAPLOH-HNNXBMFYSA-N 2 2 347.463 1.258 20 0 EDADLP CCOC(=O)c1cnc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000614507915 449656907 /nfs/dbraw/zinc/65/69/07/449656907.db2.gz UKHKQDUTGAPLOH-HNNXBMFYSA-N 2 2 347.463 1.258 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)on1 ZINC000602510987 449639930 /nfs/dbraw/zinc/63/99/30/449639930.db2.gz KTKZQWQFKKBSDJ-UHFFFAOYSA-N 2 2 329.400 1.999 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)on1 ZINC000602510987 449639932 /nfs/dbraw/zinc/63/99/32/449639932.db2.gz KTKZQWQFKKBSDJ-UHFFFAOYSA-N 2 2 329.400 1.999 20 0 EDADLP CCOC(=O)CCc1cc(N[C@@H](C)C2=CC[N@H+](C)CC2)nc(C)[nH+]1 ZINC000601139483 449711261 /nfs/dbraw/zinc/71/12/61/449711261.db2.gz IJKIHLOXJICCAF-ZDUSSCGKSA-N 2 2 332.448 2.343 20 0 EDADLP CCOC(=O)CCc1cc(N[C@@H](C)C2=CC[N@@H+](C)CC2)nc(C)[nH+]1 ZINC000601139483 449711265 /nfs/dbraw/zinc/71/12/65/449711265.db2.gz IJKIHLOXJICCAF-ZDUSSCGKSA-N 2 2 332.448 2.343 20 0 EDADLP Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000602666797 449739570 /nfs/dbraw/zinc/73/95/70/449739570.db2.gz KPOUJOJNAKILJP-NSHDSACASA-N 2 2 331.420 1.746 20 0 EDADLP Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000602666797 449739578 /nfs/dbraw/zinc/73/95/78/449739578.db2.gz KPOUJOJNAKILJP-NSHDSACASA-N 2 2 331.420 1.746 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617703736 449750910 /nfs/dbraw/zinc/75/09/10/449750910.db2.gz NQAXSZHXQKRLOI-SFHVURJKSA-N 2 2 342.443 1.236 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617703736 449750913 /nfs/dbraw/zinc/75/09/13/449750913.db2.gz NQAXSZHXQKRLOI-SFHVURJKSA-N 2 2 342.443 1.236 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000601269724 449788413 /nfs/dbraw/zinc/78/84/13/449788413.db2.gz CFWUGIXQGGMPNZ-CQSZACIVSA-N 2 2 337.493 1.373 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000601269724 449788416 /nfs/dbraw/zinc/78/84/16/449788416.db2.gz CFWUGIXQGGMPNZ-CQSZACIVSA-N 2 2 337.493 1.373 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(C2CCCC2)nc1N ZINC000617764147 449824206 /nfs/dbraw/zinc/82/42/06/449824206.db2.gz KTYFPLRBDJCQPN-UHFFFAOYSA-N 2 2 348.495 1.330 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(C2CCCC2)nc1N ZINC000617764147 449824211 /nfs/dbraw/zinc/82/42/11/449824211.db2.gz KTYFPLRBDJCQPN-UHFFFAOYSA-N 2 2 348.495 1.330 20 0 EDADLP CCOC(=O)c1ncc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000601325370 449833585 /nfs/dbraw/zinc/83/35/85/449833585.db2.gz IZZKOKHILSFCJJ-GFCCVEGCSA-N 2 2 339.461 1.507 20 0 EDADLP CCOC(=O)c1ncc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000601325370 449833591 /nfs/dbraw/zinc/83/35/91/449833591.db2.gz IZZKOKHILSFCJJ-GFCCVEGCSA-N 2 2 339.461 1.507 20 0 EDADLP C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768061 449834025 /nfs/dbraw/zinc/83/40/25/449834025.db2.gz NPSNICUNYRTIJC-YOEHRIQHSA-N 2 2 335.448 1.215 20 0 EDADLP C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768061 449834029 /nfs/dbraw/zinc/83/40/29/449834029.db2.gz NPSNICUNYRTIJC-YOEHRIQHSA-N 2 2 335.448 1.215 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000601327715 449834729 /nfs/dbraw/zinc/83/47/29/449834729.db2.gz ZGCAGUDGYKTWCH-LSDHHAIUSA-N 2 2 333.432 1.109 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000601327715 449834736 /nfs/dbraw/zinc/83/47/36/449834736.db2.gz ZGCAGUDGYKTWCH-LSDHHAIUSA-N 2 2 333.432 1.109 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000608439418 449840172 /nfs/dbraw/zinc/84/01/72/449840172.db2.gz XRMFGQLBDONNIC-MRXNPFEDSA-N 2 2 334.508 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000608439418 449840178 /nfs/dbraw/zinc/84/01/78/449840178.db2.gz XRMFGQLBDONNIC-MRXNPFEDSA-N 2 2 334.508 1.890 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000599310048 449881955 /nfs/dbraw/zinc/88/19/55/449881955.db2.gz GAAGUTYAJJHIBJ-MJGOQNOKSA-N 2 2 344.503 1.798 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000599310048 449881958 /nfs/dbraw/zinc/88/19/58/449881958.db2.gz GAAGUTYAJJHIBJ-MJGOQNOKSA-N 2 2 344.503 1.798 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000615086269 449945390 /nfs/dbraw/zinc/94/53/90/449945390.db2.gz DVNVQGUVAFGECY-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000615086269 449945394 /nfs/dbraw/zinc/94/53/94/449945394.db2.gz DVNVQGUVAFGECY-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP CN(C(=O)c1ncc[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612960004 449957442 /nfs/dbraw/zinc/95/74/42/449957442.db2.gz NVVYIWGBCVJQCH-HZPDHXFCSA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1ncc[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612960004 449957448 /nfs/dbraw/zinc/95/74/48/449957448.db2.gz NVVYIWGBCVJQCH-HZPDHXFCSA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959311 449957819 /nfs/dbraw/zinc/95/78/19/449957819.db2.gz JHCWGRFRDNORGC-ZWJWXYIHSA-N 2 2 349.519 1.674 20 0 EDADLP CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612959311 449957823 /nfs/dbraw/zinc/95/78/23/449957823.db2.gz JHCWGRFRDNORGC-ZWJWXYIHSA-N 2 2 349.519 1.674 20 0 EDADLP Cc1ccoc1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000613004976 449980273 /nfs/dbraw/zinc/98/02/73/449980273.db2.gz JKBJPPQFSPMQEB-SJPCQFCGSA-N 2 2 331.460 1.900 20 0 EDADLP Cc1ccoc1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000613004976 449980279 /nfs/dbraw/zinc/98/02/79/449980279.db2.gz JKBJPPQFSPMQEB-SJPCQFCGSA-N 2 2 331.460 1.900 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@@H]([NH+]3CCOCC3)C1)CC2 ZINC000615535737 450129917 /nfs/dbraw/zinc/12/99/17/450129917.db2.gz OWJJCFRWHOITNL-NVXWUHKLSA-N 2 2 332.448 1.077 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000616157910 450338598 /nfs/dbraw/zinc/33/85/98/450338598.db2.gz VPYJUHXUUYZMIQ-NVXWUHKLSA-N 2 2 342.443 1.457 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000616157910 450338601 /nfs/dbraw/zinc/33/86/01/450338601.db2.gz VPYJUHXUUYZMIQ-NVXWUHKLSA-N 2 2 342.443 1.457 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000619888663 450356148 /nfs/dbraw/zinc/35/61/48/450356148.db2.gz KMAYSUYBHGWJBY-UHFFFAOYSA-N 2 2 345.487 1.933 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000623258913 450467267 /nfs/dbraw/zinc/46/72/67/450467267.db2.gz JSINLTBLTGIUOE-QZTJIDSGSA-N 2 2 338.455 1.879 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000623258913 450467268 /nfs/dbraw/zinc/46/72/68/450467268.db2.gz JSINLTBLTGIUOE-QZTJIDSGSA-N 2 2 338.455 1.879 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N[C@H]3Cc4c[nH+]cn4C3)CC2)cs1 ZINC000623268924 450471701 /nfs/dbraw/zinc/47/17/01/450471701.db2.gz ZMILBUFLOHPPNU-AWEZNQCLSA-N 2 2 345.472 1.601 20 0 EDADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623372309 450507866 /nfs/dbraw/zinc/50/78/66/450507866.db2.gz OKKGSVRWKXOIGQ-AWEZNQCLSA-N 2 2 325.478 1.557 20 0 EDADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623372309 450507868 /nfs/dbraw/zinc/50/78/68/450507868.db2.gz OKKGSVRWKXOIGQ-AWEZNQCLSA-N 2 2 325.478 1.557 20 0 EDADLP C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1[nH+]ccn1C ZINC000620601686 450519954 /nfs/dbraw/zinc/51/99/54/450519954.db2.gz ZEKQOBRLDYVNOT-RDJZCZTQSA-N 2 2 342.443 1.888 20 0 EDADLP C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1[nH+]ccn1C ZINC000620601686 450519955 /nfs/dbraw/zinc/51/99/55/450519955.db2.gz ZEKQOBRLDYVNOT-RDJZCZTQSA-N 2 2 342.443 1.888 20 0 EDADLP CCN1CC[NH+](CCC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000620770529 450541538 /nfs/dbraw/zinc/54/15/38/450541538.db2.gz CCVPAWHFPKSUPO-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP CCN1CC[NH+](CCC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000620770529 450541540 /nfs/dbraw/zinc/54/15/40/450541540.db2.gz CCVPAWHFPKSUPO-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623590173 450547853 /nfs/dbraw/zinc/54/78/53/450547853.db2.gz HLWTYHFIUQXWDQ-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623590173 450547854 /nfs/dbraw/zinc/54/78/54/450547854.db2.gz HLWTYHFIUQXWDQ-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623590173 450547857 /nfs/dbraw/zinc/54/78/57/450547857.db2.gz HLWTYHFIUQXWDQ-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623590173 450547860 /nfs/dbraw/zinc/54/78/60/450547860.db2.gz HLWTYHFIUQXWDQ-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000623597160 450548617 /nfs/dbraw/zinc/54/86/17/450548617.db2.gz ZJFJWUWRGHLCEA-DOTOQJQBSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000623597160 450548620 /nfs/dbraw/zinc/54/86/20/450548620.db2.gz ZJFJWUWRGHLCEA-DOTOQJQBSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000623597160 450548623 /nfs/dbraw/zinc/54/86/23/450548623.db2.gz ZJFJWUWRGHLCEA-DOTOQJQBSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000623597160 450548625 /nfs/dbraw/zinc/54/86/25/450548625.db2.gz ZJFJWUWRGHLCEA-DOTOQJQBSA-N 2 2 334.464 1.137 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)CC1(C)C ZINC000623779772 450582190 /nfs/dbraw/zinc/58/21/90/450582190.db2.gz NTLBDALBYYWDRO-AWEZNQCLSA-N 2 2 333.432 1.859 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)CC1(C)C ZINC000623779772 450582192 /nfs/dbraw/zinc/58/21/92/450582192.db2.gz NTLBDALBYYWDRO-AWEZNQCLSA-N 2 2 333.432 1.859 20 0 EDADLP COC[C@]1(C)C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000626176889 450610401 /nfs/dbraw/zinc/61/04/01/450610401.db2.gz YYYQNALBCMJMDL-HKUYNNGSSA-N 2 2 349.475 1.143 20 0 EDADLP COC[C@]1(C)C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000626176889 450610408 /nfs/dbraw/zinc/61/04/08/450610408.db2.gz YYYQNALBCMJMDL-HKUYNNGSSA-N 2 2 349.475 1.143 20 0 EDADLP c1nc2c(s1)CCC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000623895647 450627359 /nfs/dbraw/zinc/62/73/59/450627359.db2.gz YIAWBJIIZJFKQD-GJZGRUSLSA-N 2 2 336.505 1.517 20 0 EDADLP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CC[NH+](C)CC1 ZINC000623968528 450654065 /nfs/dbraw/zinc/65/40/65/450654065.db2.gz FTBFPBCNECXGMR-LSDHHAIUSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C1CC[NH+](C)CC1 ZINC000623968528 450654070 /nfs/dbraw/zinc/65/40/70/450654070.db2.gz FTBFPBCNECXGMR-LSDHHAIUSA-N 2 2 333.480 1.828 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000635135740 450679770 /nfs/dbraw/zinc/67/97/70/450679770.db2.gz DVGUKOVNLYHVSX-QGZVFWFLSA-N 2 2 333.476 1.974 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000635135740 450679772 /nfs/dbraw/zinc/67/97/72/450679772.db2.gz DVGUKOVNLYHVSX-QGZVFWFLSA-N 2 2 333.476 1.974 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)[C@H]2CCCCO2)CC1 ZINC000631626205 450683726 /nfs/dbraw/zinc/68/37/26/450683726.db2.gz WAOIXJMMUQVABI-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC[N@@H+]1CCOC ZINC000626320135 450685213 /nfs/dbraw/zinc/68/52/13/450685213.db2.gz LTRPPRAPUMKENP-SJORKVTESA-N 2 2 348.491 1.713 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC[N@H+]1CCOC ZINC000626320135 450685220 /nfs/dbraw/zinc/68/52/20/450685220.db2.gz LTRPPRAPUMKENP-SJORKVTESA-N 2 2 348.491 1.713 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000629439923 450686899 /nfs/dbraw/zinc/68/68/99/450686899.db2.gz MSWUUSCVBNTSLI-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000629439923 450686902 /nfs/dbraw/zinc/68/69/02/450686902.db2.gz MSWUUSCVBNTSLI-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629439923 450686906 /nfs/dbraw/zinc/68/69/06/450686906.db2.gz MSWUUSCVBNTSLI-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629439923 450686908 /nfs/dbraw/zinc/68/69/08/450686908.db2.gz MSWUUSCVBNTSLI-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000624085871 450700631 /nfs/dbraw/zinc/70/06/31/450700631.db2.gz GUOSPZFFPFFKRR-XHSDSOJGSA-N 2 2 325.497 1.756 20 0 EDADLP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000624085871 450700635 /nfs/dbraw/zinc/70/06/35/450700635.db2.gz GUOSPZFFPFFKRR-XHSDSOJGSA-N 2 2 325.497 1.756 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000635156823 450702544 /nfs/dbraw/zinc/70/25/44/450702544.db2.gz LUBCQMXBUCXRMI-UHFFFAOYSA-N 2 2 346.475 1.084 20 0 EDADLP NC(=O)c1cc(F)ccc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000621383003 450710062 /nfs/dbraw/zinc/71/00/62/450710062.db2.gz MWGRUXSTPQISIE-UHFFFAOYSA-N 2 2 331.395 1.333 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635166168 450712045 /nfs/dbraw/zinc/71/20/45/450712045.db2.gz ZUZMTULAUXGMBK-KRWDZBQOSA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635166168 450712049 /nfs/dbraw/zinc/71/20/49/450712049.db2.gz ZUZMTULAUXGMBK-KRWDZBQOSA-N 2 2 344.459 1.551 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)[C@@H](C)[NH+](C)C)c2[nH+]ccn2C)c1 ZINC000635172452 450717774 /nfs/dbraw/zinc/71/77/74/450717774.db2.gz WYGPWOLJNNEIAH-WBMJQRKESA-N 2 2 346.431 1.593 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc(=O)n3cc(Cl)ccc3n1)C2 ZINC000629584612 450750409 /nfs/dbraw/zinc/75/04/09/450750409.db2.gz TZQPLDKHEFDMJE-CALCHBBNSA-N 2 2 332.835 1.779 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc(=O)n3cc(Cl)ccc3n1)C2 ZINC000629584612 450750410 /nfs/dbraw/zinc/75/04/10/450750410.db2.gz TZQPLDKHEFDMJE-CALCHBBNSA-N 2 2 332.835 1.779 20 0 EDADLP CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@@H]1O ZINC000629592194 450753093 /nfs/dbraw/zinc/75/30/93/450753093.db2.gz CQCKJBANRUFDSY-KYOSRNDESA-N 2 2 326.462 1.367 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000633256917 450760289 /nfs/dbraw/zinc/76/02/89/450760289.db2.gz QKGZXRRPXHQKGB-KRWDZBQOSA-N 2 2 342.443 1.378 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000635217733 450760887 /nfs/dbraw/zinc/76/08/87/450760887.db2.gz SWVUCKHJZFGOPZ-AEFFLSMTSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000635217733 450760892 /nfs/dbraw/zinc/76/08/92/450760892.db2.gz SWVUCKHJZFGOPZ-AEFFLSMTSA-N 2 2 331.460 1.518 20 0 EDADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)N1CCc2[nH]c3ccccc3c2C1 ZINC000631869563 450836644 /nfs/dbraw/zinc/83/66/44/450836644.db2.gz YTTNCOCDQJQWLG-VLIAUNLRSA-N 2 2 338.455 1.784 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000631826304 450799401 /nfs/dbraw/zinc/79/94/01/450799401.db2.gz KFDIIGNRJQGYCQ-SOLBZPMBSA-N 2 2 330.476 1.232 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886086 450847500 /nfs/dbraw/zinc/84/75/00/450847500.db2.gz FNDJLKMCLGPUCE-SJLPKXTDSA-N 2 2 331.460 1.775 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886086 450847504 /nfs/dbraw/zinc/84/75/04/450847504.db2.gz FNDJLKMCLGPUCE-SJLPKXTDSA-N 2 2 331.460 1.775 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c2ccccc21 ZINC000621763268 450859799 /nfs/dbraw/zinc/85/97/99/450859799.db2.gz UUSKQOSDYKIVKV-FUHWJXTLSA-N 2 2 331.460 1.921 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)c2ccccc21 ZINC000621763268 450859804 /nfs/dbraw/zinc/85/98/04/450859804.db2.gz UUSKQOSDYKIVKV-FUHWJXTLSA-N 2 2 331.460 1.921 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635348854 450873053 /nfs/dbraw/zinc/87/30/53/450873053.db2.gz MONABGKMQLXVFB-KBPBESRZSA-N 2 2 326.400 1.935 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635348854 450873057 /nfs/dbraw/zinc/87/30/57/450873057.db2.gz MONABGKMQLXVFB-KBPBESRZSA-N 2 2 326.400 1.935 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3CCCC[N@@H+](C)C3)ccc2[nH+]1 ZINC000627827262 450960207 /nfs/dbraw/zinc/96/02/07/450960207.db2.gz USZUPNMCIUHPJN-AWEZNQCLSA-N 2 2 343.431 1.429 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3CCCC[N@H+](C)C3)ccc2[nH+]1 ZINC000627827262 450960209 /nfs/dbraw/zinc/96/02/09/450960209.db2.gz USZUPNMCIUHPJN-AWEZNQCLSA-N 2 2 343.431 1.429 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635472744 450971660 /nfs/dbraw/zinc/97/16/60/450971660.db2.gz PVTNAZVTJVMVSA-MWDXBVQZSA-N 2 2 345.491 1.530 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635472744 450971665 /nfs/dbraw/zinc/97/16/65/450971665.db2.gz PVTNAZVTJVMVSA-MWDXBVQZSA-N 2 2 345.491 1.530 20 0 EDADLP Cc1cn2ccc(C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2[nH+]1 ZINC000635502278 450996886 /nfs/dbraw/zinc/99/68/86/450996886.db2.gz CDHQFSDEKSZZBO-INIZCTEOSA-N 2 2 330.432 1.826 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626946104 451025091 /nfs/dbraw/zinc/02/50/91/451025091.db2.gz RUIGNWYQDXZGCE-KRWDZBQOSA-N 2 2 349.479 1.463 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[NH2+]1 ZINC000626949782 451028884 /nfs/dbraw/zinc/02/88/84/451028884.db2.gz QETSKHPTLRBTKA-TZMCWYRMSA-N 2 2 331.395 1.951 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635540005 451035939 /nfs/dbraw/zinc/03/59/39/451035939.db2.gz VWLYESMINSMVQG-VXGBXAGGSA-N 2 2 334.342 1.214 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635540005 451035945 /nfs/dbraw/zinc/03/59/45/451035945.db2.gz VWLYESMINSMVQG-VXGBXAGGSA-N 2 2 334.342 1.214 20 0 EDADLP COCC[NH+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635556441 451053858 /nfs/dbraw/zinc/05/38/58/451053858.db2.gz OTVUFPNTTFDVCX-LBPRGKRZSA-N 2 2 334.342 1.167 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H](C[NH3+])CC(C)C)nc(C(C)C)[nH+]1 ZINC000627080456 451114053 /nfs/dbraw/zinc/11/40/53/451114053.db2.gz KTJAGOWWHAZILY-CQSZACIVSA-N 2 2 336.484 1.993 20 0 EDADLP [NH3+]C1(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CCOCC1 ZINC000627150113 451148678 /nfs/dbraw/zinc/14/86/78/451148678.db2.gz CNGPOJWJYSUFPC-UHFFFAOYSA-N 2 2 349.479 1.593 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000635699039 451180685 /nfs/dbraw/zinc/18/06/85/451180685.db2.gz SJJVKZBHWWIKAR-GOSISDBHSA-N 2 2 331.460 1.094 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000635699039 451180686 /nfs/dbraw/zinc/18/06/86/451180686.db2.gz SJJVKZBHWWIKAR-GOSISDBHSA-N 2 2 331.460 1.094 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[NH+](C)C ZINC000635703748 451185187 /nfs/dbraw/zinc/18/51/87/451185187.db2.gz UFVWKVHVCIGMNW-CQSZACIVSA-N 2 2 338.883 1.528 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCCc4nn[nH]c43)c2)CC1 ZINC000634193636 451229811 /nfs/dbraw/zinc/22/98/11/451229811.db2.gz MDQPGKPTKXUQKD-ZDUSSCGKSA-N 2 2 341.419 1.010 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCCc4n[nH]nc43)c2)CC1 ZINC000634193636 451229817 /nfs/dbraw/zinc/22/98/17/451229817.db2.gz MDQPGKPTKXUQKD-ZDUSSCGKSA-N 2 2 341.419 1.010 20 0 EDADLP C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1=CC[N@H+](C)CC1 ZINC000635788990 451240813 /nfs/dbraw/zinc/24/08/13/451240813.db2.gz XMZBWYRQTNHJPF-CYBMUJFWSA-N 2 2 326.400 1.958 20 0 EDADLP C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C1=CC[N@@H+](C)CC1 ZINC000635788990 451240818 /nfs/dbraw/zinc/24/08/18/451240818.db2.gz XMZBWYRQTNHJPF-CYBMUJFWSA-N 2 2 326.400 1.958 20 0 EDADLP COC[C@]1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCCC[NH2+]1 ZINC000638095855 451260778 /nfs/dbraw/zinc/26/07/78/451260778.db2.gz JFQNTONUKIFDLA-IBGZPJMESA-N 2 2 347.459 1.195 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+](C)CCc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000635835633 451283779 /nfs/dbraw/zinc/28/37/79/451283779.db2.gz WZJVXTIXLCWEQN-QGZVFWFLSA-N 2 2 347.503 1.465 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+](C)CCc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000635835633 451283784 /nfs/dbraw/zinc/28/37/84/451283784.db2.gz WZJVXTIXLCWEQN-QGZVFWFLSA-N 2 2 347.503 1.465 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)CC[NH+]1CC(C)(C)O ZINC000635835633 451283789 /nfs/dbraw/zinc/28/37/89/451283789.db2.gz WZJVXTIXLCWEQN-QGZVFWFLSA-N 2 2 347.503 1.465 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)CC[NH+]1CC(C)(C)O ZINC000635835633 451283794 /nfs/dbraw/zinc/28/37/94/451283794.db2.gz WZJVXTIXLCWEQN-QGZVFWFLSA-N 2 2 347.503 1.465 20 0 EDADLP CC1(C)C[NH+](CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000634304856 451289288 /nfs/dbraw/zinc/28/92/88/451289288.db2.gz XOWGQJHPVRCQAV-UHFFFAOYSA-N 2 2 334.489 1.593 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000634304820 451289369 /nfs/dbraw/zinc/28/93/69/451289369.db2.gz VWCQLMKPYIGQGN-CQSZACIVSA-N 2 2 334.489 1.593 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000634304820 451289373 /nfs/dbraw/zinc/28/93/73/451289373.db2.gz VWCQLMKPYIGQGN-CQSZACIVSA-N 2 2 334.489 1.593 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124301 451293721 /nfs/dbraw/zinc/29/37/21/451293721.db2.gz RXRYMPVHCZFNQH-BPQIPLTHSA-N 2 2 332.492 1.387 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000638124301 451293725 /nfs/dbraw/zinc/29/37/25/451293725.db2.gz RXRYMPVHCZFNQH-BPQIPLTHSA-N 2 2 332.492 1.387 20 0 EDADLP CC(C)C[C@H](C(=O)NC1CCN(c2[nH+]ccn2C)CC1)n1cc[nH+]c1 ZINC000635844728 451293880 /nfs/dbraw/zinc/29/38/80/451293880.db2.gz AMWIMDRHHFKEFT-MRXNPFEDSA-N 2 2 344.463 1.989 20 0 EDADLP C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638136914 451310379 /nfs/dbraw/zinc/31/03/79/451310379.db2.gz CEWCQPUPOBADGL-VQIMIIECSA-N 2 2 345.535 1.757 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638136914 451310384 /nfs/dbraw/zinc/31/03/84/451310384.db2.gz CEWCQPUPOBADGL-VQIMIIECSA-N 2 2 345.535 1.757 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[N@H+](C4CCOCC4)C[C@H]3C)cc2[nH+]1 ZINC000635866938 451314543 /nfs/dbraw/zinc/31/45/43/451314543.db2.gz LRLICKMQNCBKSN-OAHLLOKOSA-N 2 2 342.443 1.968 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[N@@H+](C4CCOCC4)C[C@H]3C)cc2[nH+]1 ZINC000635866938 451314547 /nfs/dbraw/zinc/31/45/47/451314547.db2.gz LRLICKMQNCBKSN-OAHLLOKOSA-N 2 2 342.443 1.968 20 0 EDADLP COC[C@]1(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CCCC[NH2+]1 ZINC000638140265 451314601 /nfs/dbraw/zinc/31/46/01/451314601.db2.gz YDBKRYYPNZYNOI-APWZRJJASA-N 2 2 346.475 1.446 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCCN(c3cc[nH+]cc3)CC1)CC2 ZINC000640443926 451320529 /nfs/dbraw/zinc/32/05/29/451320529.db2.gz WZUCDSKZSLAPNK-MRXNPFEDSA-N 2 2 339.443 1.888 20 0 EDADLP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635934423 451377677 /nfs/dbraw/zinc/37/76/77/451377677.db2.gz QCQIERQHXAVBTQ-HUUCEWRRSA-N 2 2 343.431 1.555 20 0 EDADLP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635934423 451377682 /nfs/dbraw/zinc/37/76/82/451377682.db2.gz QCQIERQHXAVBTQ-HUUCEWRRSA-N 2 2 343.431 1.555 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638276109 451394899 /nfs/dbraw/zinc/39/48/99/451394899.db2.gz QBUCTRXLCBEHQS-AWEZNQCLSA-N 2 2 345.365 1.496 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000635968115 451405261 /nfs/dbraw/zinc/40/52/61/451405261.db2.gz SAKYJMFGBZWOOL-RVKKMQEKSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)cc1 ZINC000635968115 451405263 /nfs/dbraw/zinc/40/52/63/451405263.db2.gz SAKYJMFGBZWOOL-RVKKMQEKSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1 ZINC000635968115 451405267 /nfs/dbraw/zinc/40/52/67/451405267.db2.gz SAKYJMFGBZWOOL-RVKKMQEKSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1 ZINC000635968115 451405269 /nfs/dbraw/zinc/40/52/69/451405269.db2.gz SAKYJMFGBZWOOL-RVKKMQEKSA-N 2 2 331.460 1.821 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000636007386 451432353 /nfs/dbraw/zinc/43/23/53/451432353.db2.gz IALNSNCSPQSDAZ-UHFFFAOYSA-N 2 2 343.475 1.789 20 0 EDADLP CC(C)[C@@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000638354218 451456082 /nfs/dbraw/zinc/45/60/82/451456082.db2.gz XPCMDRZILSDSLY-OAHLLOKOSA-N 2 2 345.553 1.947 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)ccn1 ZINC000640614469 451460689 /nfs/dbraw/zinc/46/06/89/451460689.db2.gz XKMFMBBUHZUTBG-KRWDZBQOSA-N 2 2 347.463 1.472 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640628948 451476108 /nfs/dbraw/zinc/47/61/08/451476108.db2.gz RDTFDDJCAQCHPJ-YOEHRIQHSA-N 2 2 347.463 1.470 20 0 EDADLP OC[C@H](CC(F)(F)F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720538 451500640 /nfs/dbraw/zinc/50/06/40/451500640.db2.gz LGABKDYQARIMAT-LSDHHAIUSA-N 2 2 332.366 1.526 20 0 EDADLP OC[C@H](CC(F)(F)F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720538 451500646 /nfs/dbraw/zinc/50/06/46/451500646.db2.gz LGABKDYQARIMAT-LSDHHAIUSA-N 2 2 332.366 1.526 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000638428754 451509829 /nfs/dbraw/zinc/50/98/29/451509829.db2.gz BCFUGUYDIPSRJB-RTBURBONSA-N 2 2 346.519 1.682 20 0 EDADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631040516 451548081 /nfs/dbraw/zinc/54/80/81/451548081.db2.gz RCFIOWUIWUMGNN-UHFFFAOYSA-N 2 2 333.885 1.807 20 0 EDADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631040516 451548086 /nfs/dbraw/zinc/54/80/86/451548086.db2.gz RCFIOWUIWUMGNN-UHFFFAOYSA-N 2 2 333.885 1.807 20 0 EDADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638481145 451535569 /nfs/dbraw/zinc/53/55/69/451535569.db2.gz HQUODKDSXDMWPI-RTBURBONSA-N 3 2 346.519 1.634 20 0 EDADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638481145 451535573 /nfs/dbraw/zinc/53/55/73/451535573.db2.gz HQUODKDSXDMWPI-RTBURBONSA-N 3 2 346.519 1.634 20 0 EDADLP c1c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)nnn1C[C@@H]1CCOC1 ZINC000631082065 451573655 /nfs/dbraw/zinc/57/36/55/451573655.db2.gz CPTXBIIXXMIPCF-HNNXBMFYSA-N 2 2 333.480 1.811 20 0 EDADLP Cc1c(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cnn1C ZINC000631103199 451586320 /nfs/dbraw/zinc/58/63/20/451586320.db2.gz XFABCMJFDOXSLR-UHFFFAOYSA-N 2 2 344.459 1.729 20 0 EDADLP C[NH+](C)C1CC([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631167551 451620807 /nfs/dbraw/zinc/62/08/07/451620807.db2.gz ZWJISEGSMOFLRN-UHFFFAOYSA-N 3 2 333.476 1.580 20 0 EDADLP C[NH+](C)C1CC([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631167551 451620809 /nfs/dbraw/zinc/62/08/09/451620809.db2.gz ZWJISEGSMOFLRN-UHFFFAOYSA-N 2 2 333.476 1.580 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000632901757 451641067 /nfs/dbraw/zinc/64/10/67/451641067.db2.gz HRUIEBHNAGCNDO-UHFFFAOYSA-N 2 2 343.431 1.584 20 0 EDADLP [NH3+]Cc1cccc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000632949895 451665368 /nfs/dbraw/zinc/66/53/68/451665368.db2.gz WPQRMWQURNQJEJ-UHFFFAOYSA-N 2 2 340.431 1.328 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000631274685 451675002 /nfs/dbraw/zinc/67/50/02/451675002.db2.gz SOFNRAHBHITCNV-HOTGVXAUSA-N 2 2 333.480 2.296 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637049582 451697082 /nfs/dbraw/zinc/69/70/82/451697082.db2.gz BJCABTQGFHPDQR-HFTRVMKXSA-N 2 2 339.443 1.628 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637049582 451697085 /nfs/dbraw/zinc/69/70/85/451697085.db2.gz BJCABTQGFHPDQR-HFTRVMKXSA-N 2 2 339.443 1.628 20 0 EDADLP C[C@H]1C[C@@H]1c1noc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000631340041 451702282 /nfs/dbraw/zinc/70/22/82/451702282.db2.gz KYDOJIPJZRXODD-WFASDCNBSA-N 2 2 347.463 1.481 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636442234 451709822 /nfs/dbraw/zinc/70/98/22/451709822.db2.gz FQKUPOZXLYETPC-AEFFLSMTSA-N 2 2 339.443 1.944 20 0 EDADLP COCc1sccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631258542 451667239 /nfs/dbraw/zinc/66/72/39/451667239.db2.gz AJUYBSOOGUJNNA-CYBMUJFWSA-N 2 2 337.489 1.793 20 0 EDADLP COCc1sccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631258542 451667241 /nfs/dbraw/zinc/66/72/41/451667241.db2.gz AJUYBSOOGUJNNA-CYBMUJFWSA-N 2 2 337.489 1.793 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638730450 451668585 /nfs/dbraw/zinc/66/85/85/451668585.db2.gz WJYXKZBZCLCTOI-IAGOWNOFSA-N 2 2 334.464 1.162 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638730450 451668588 /nfs/dbraw/zinc/66/85/88/451668588.db2.gz WJYXKZBZCLCTOI-IAGOWNOFSA-N 2 2 334.464 1.162 20 0 EDADLP CO[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000639142325 451775901 /nfs/dbraw/zinc/77/59/01/451775901.db2.gz XIJIKLLHSOIETD-AEFFLSMTSA-N 2 2 326.481 1.472 20 0 EDADLP CO[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000639142325 451775904 /nfs/dbraw/zinc/77/59/04/451775904.db2.gz XIJIKLLHSOIETD-AEFFLSMTSA-N 2 2 326.481 1.472 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C[NH+]1CCOCC1 ZINC000631420444 451732820 /nfs/dbraw/zinc/73/28/20/451732820.db2.gz QSZNYEUFILAKRD-AWEZNQCLSA-N 2 2 328.416 1.775 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000637138002 451738267 /nfs/dbraw/zinc/73/82/67/451738267.db2.gz FUJNXFJQMMIDHC-UAGQMJEPSA-N 2 2 334.464 1.308 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000637138002 451738270 /nfs/dbraw/zinc/73/82/70/451738270.db2.gz FUJNXFJQMMIDHC-UAGQMJEPSA-N 2 2 334.464 1.308 20 0 EDADLP CC(C)Nc1ncccc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983815 451745843 /nfs/dbraw/zinc/74/58/43/451745843.db2.gz GXLJYQBINVZEJG-UHFFFAOYSA-N 2 2 340.431 1.959 20 0 EDADLP CCn1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(C2CC2)n1 ZINC000638984123 451746043 /nfs/dbraw/zinc/74/60/43/451746043.db2.gz RVEGVZVJVBWOPK-UHFFFAOYSA-N 2 2 340.431 1.837 20 0 EDADLP Cc1ncc(Cl)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000638985783 451746211 /nfs/dbraw/zinc/74/62/11/451746211.db2.gz GICDZFMAYLACGR-UHFFFAOYSA-N 2 2 332.795 1.495 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639024258 451753791 /nfs/dbraw/zinc/75/37/91/451753791.db2.gz NMDFQKJRNXXMGH-MOPGFXCFSA-N 2 2 343.471 1.733 20 0 EDADLP CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639041009 451756241 /nfs/dbraw/zinc/75/62/41/451756241.db2.gz GCMBIIKDJAEUTL-GOSISDBHSA-N 2 2 336.476 1.894 20 0 EDADLP CN(CCC[NH3+])Cc1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000641129782 451757367 /nfs/dbraw/zinc/75/73/67/451757367.db2.gz KYPZSNPNVPEEKZ-UHFFFAOYSA-N 2 2 325.420 1.293 20 0 EDADLP CCN(Cc1c[nH+]c(N)nc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000639048561 451757606 /nfs/dbraw/zinc/75/76/06/451757606.db2.gz UQHVAXPGLMMLRH-INIZCTEOSA-N 2 2 326.448 1.398 20 0 EDADLP CCN(Cc1c[nH+]c(N)nc1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639048561 451757609 /nfs/dbraw/zinc/75/76/09/451757609.db2.gz UQHVAXPGLMMLRH-INIZCTEOSA-N 2 2 326.448 1.398 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H](CNCc1c[nH+]c(N)nc1N)C1CC1 ZINC000639061665 451760127 /nfs/dbraw/zinc/76/01/27/451760127.db2.gz PZTUPIXAJDAGOS-MRXNPFEDSA-N 2 2 326.448 1.302 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H](CNCc1c[nH+]c(N)nc1N)C1CC1 ZINC000639061665 451760129 /nfs/dbraw/zinc/76/01/29/451760129.db2.gz PZTUPIXAJDAGOS-MRXNPFEDSA-N 2 2 326.448 1.302 20 0 EDADLP CC(C)[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000639347932 451839160 /nfs/dbraw/zinc/83/91/60/451839160.db2.gz AFXNYKLDJPKTGD-QGZVFWFLSA-N 2 2 340.475 1.644 20 0 EDADLP CC(C)[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000639347932 451839164 /nfs/dbraw/zinc/83/91/64/451839164.db2.gz AFXNYKLDJPKTGD-QGZVFWFLSA-N 2 2 340.475 1.644 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(Cl)cc1O ZINC000639217600 451793914 /nfs/dbraw/zinc/79/39/14/451793914.db2.gz GXJNOTFKVKLWED-ZDUSSCGKSA-N 2 2 328.840 1.991 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(Cl)cc1O ZINC000639217600 451793918 /nfs/dbraw/zinc/79/39/18/451793918.db2.gz GXJNOTFKVKLWED-ZDUSSCGKSA-N 2 2 328.840 1.991 20 0 EDADLP Cc1cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)nc(N2CCCC2)n1 ZINC000639224601 451794753 /nfs/dbraw/zinc/79/47/53/451794753.db2.gz USYRYWCKITXGPV-UHFFFAOYSA-N 2 2 347.507 1.710 20 0 EDADLP COc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)on1 ZINC000639327126 451827953 /nfs/dbraw/zinc/82/79/53/451827953.db2.gz ZGEWGIAVNVKBMM-UHFFFAOYSA-N 2 2 347.415 1.684 20 0 EDADLP CCNC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc2ccccc21 ZINC000653346986 451858645 /nfs/dbraw/zinc/85/86/45/451858645.db2.gz OPHVSGVWXSNQKU-AWEZNQCLSA-N 2 2 343.431 1.202 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000637444519 451859363 /nfs/dbraw/zinc/85/93/63/451859363.db2.gz ALPASDCQESEGRZ-IAGOWNOFSA-N 2 2 332.448 1.015 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000637444519 451859367 /nfs/dbraw/zinc/85/93/67/451859367.db2.gz ALPASDCQESEGRZ-IAGOWNOFSA-N 2 2 332.448 1.015 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)[C@@H](c2ccccc2)C1 ZINC000637444519 451859370 /nfs/dbraw/zinc/85/93/70/451859370.db2.gz ALPASDCQESEGRZ-IAGOWNOFSA-N 2 2 332.448 1.015 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)[C@@H](c2ccccc2)C1 ZINC000637444519 451859377 /nfs/dbraw/zinc/85/93/77/451859377.db2.gz ALPASDCQESEGRZ-IAGOWNOFSA-N 2 2 332.448 1.015 20 0 EDADLP C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641336048 451860729 /nfs/dbraw/zinc/86/07/29/451860729.db2.gz AUDYZRNOMBITCD-UHFFFAOYSA-N 2 2 342.509 1.657 20 0 EDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000644560743 451861324 /nfs/dbraw/zinc/86/13/24/451861324.db2.gz JHGKOTGQBQOANM-DLBZAZTESA-N 2 2 327.513 1.170 20 0 EDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000644560743 451861332 /nfs/dbraw/zinc/86/13/32/451861332.db2.gz JHGKOTGQBQOANM-DLBZAZTESA-N 2 2 327.513 1.170 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000639392702 451863619 /nfs/dbraw/zinc/86/36/19/451863619.db2.gz WZXDORXPTRJOFH-UHFFFAOYSA-N 2 2 327.432 1.549 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC(=O)N(C4CC4)C3)c2cc1C ZINC000644583473 451877939 /nfs/dbraw/zinc/87/79/39/451877939.db2.gz FUFCQTBOEOQFMR-GDBMZVCRSA-N 2 2 342.443 1.367 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000649212684 451909072 /nfs/dbraw/zinc/90/90/72/451909072.db2.gz NPWVBKPGGNVDCN-ZDUSSCGKSA-N 2 2 341.415 1.584 20 0 EDADLP CCN1CC[C@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1=O ZINC000644643117 451914195 /nfs/dbraw/zinc/91/41/95/451914195.db2.gz ZCAAEGWDEWMFQP-CABCVRRESA-N 2 2 330.432 1.224 20 0 EDADLP COC[C@@]1(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CCC[NH2+]1 ZINC000649279717 451950558 /nfs/dbraw/zinc/95/05/58/451950558.db2.gz PQIXNDGGZYVGBI-GOSISDBHSA-N 2 2 330.432 1.620 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000644715239 451948378 /nfs/dbraw/zinc/94/83/78/451948378.db2.gz ZXWVWLYAALPOJS-YSHGAJCASA-N 2 2 343.471 1.062 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000644715239 451948379 /nfs/dbraw/zinc/94/83/79/451948379.db2.gz ZXWVWLYAALPOJS-YSHGAJCASA-N 2 2 343.471 1.062 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1cccc(F)c1 ZINC000649282755 451955803 /nfs/dbraw/zinc/95/58/03/451955803.db2.gz DLDPUDLXXBFBMW-UKRRQHHQSA-N 2 2 332.379 1.001 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(CC(=O)N3CC[NH+](Cc4ccsc4)CC3)[C@@H]2C1 ZINC000644731489 451956856 /nfs/dbraw/zinc/95/68/56/451956856.db2.gz BQQBDZSJBFEXFQ-DLBZAZTESA-N 2 2 348.516 1.028 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(CC(=O)N3CC[NH+](Cc4ccsc4)CC3)[C@@H]2C1 ZINC000644731489 451956860 /nfs/dbraw/zinc/95/68/60/451956860.db2.gz BQQBDZSJBFEXFQ-DLBZAZTESA-N 2 2 348.516 1.028 20 0 EDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc(CO)cc[nH+]2)CC1 ZINC000641423362 451962490 /nfs/dbraw/zinc/96/24/90/451962490.db2.gz QXZCUMGJQJVLOY-UHFFFAOYSA-N 2 2 334.464 1.613 20 0 EDADLP CCN1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC000639606985 451971534 /nfs/dbraw/zinc/97/15/34/451971534.db2.gz PFXFPZPGSUQHPN-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP CCN1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC000639606985 451971538 /nfs/dbraw/zinc/97/15/38/451971538.db2.gz PFXFPZPGSUQHPN-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP CCN1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000639606985 451971544 /nfs/dbraw/zinc/97/15/44/451971544.db2.gz PFXFPZPGSUQHPN-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP CCN1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000639606985 451971550 /nfs/dbraw/zinc/97/15/50/451971550.db2.gz PFXFPZPGSUQHPN-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP O[C@]1(C[N@@H+]2CCO[C@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639641559 451993065 /nfs/dbraw/zinc/99/30/65/451993065.db2.gz JRPNXVQLVLQGHD-WOJBJXKFSA-N 2 2 346.471 1.505 20 0 EDADLP O[C@]1(C[N@H+]2CCO[C@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639641559 451993068 /nfs/dbraw/zinc/99/30/68/451993068.db2.gz JRPNXVQLVLQGHD-WOJBJXKFSA-N 2 2 346.471 1.505 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@]3(CCCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639641559 451993072 /nfs/dbraw/zinc/99/30/72/451993072.db2.gz JRPNXVQLVLQGHD-WOJBJXKFSA-N 2 2 346.471 1.505 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@]3(CCCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639641559 451993077 /nfs/dbraw/zinc/99/30/77/451993077.db2.gz JRPNXVQLVLQGHD-WOJBJXKFSA-N 2 2 346.471 1.505 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[C@@H]1[NH3+] ZINC000647010022 452003040 /nfs/dbraw/zinc/00/30/40/452003040.db2.gz MWIQKMIGDTVANS-AEFFLSMTSA-N 2 2 331.460 1.718 20 0 EDADLP COCCC1(C(=O)NCc2cn3cccc(C)c3[nH+]2)CC[NH2+]CC1 ZINC000649329729 452010626 /nfs/dbraw/zinc/01/06/26/452010626.db2.gz DZBRDMQUVOSDID-UHFFFAOYSA-N 2 2 330.432 1.665 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000649345262 452026514 /nfs/dbraw/zinc/02/65/14/452026514.db2.gz SDQKWRQKJJKACQ-XJKSGUPXSA-N 2 2 337.851 1.521 20 0 EDADLP C[C@@H]1[C@H](NS(=O)(=O)CCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000641498778 452030338 /nfs/dbraw/zinc/03/03/38/452030338.db2.gz ZBAKGFCRIHRYRR-NVXWUHKLSA-N 2 2 348.472 1.466 20 0 EDADLP C[C@@H]1[C@H](NS(=O)(=O)CCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000641498778 452030345 /nfs/dbraw/zinc/03/03/45/452030345.db2.gz ZBAKGFCRIHRYRR-NVXWUHKLSA-N 2 2 348.472 1.466 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2ncnn2c1 ZINC000653626463 452048739 /nfs/dbraw/zinc/04/87/39/452048739.db2.gz UJSMPDZQHBFGIQ-UHFFFAOYSA-N 2 2 345.451 1.219 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2ncnn2c1 ZINC000653626463 452048744 /nfs/dbraw/zinc/04/87/44/452048744.db2.gz UJSMPDZQHBFGIQ-UHFFFAOYSA-N 2 2 345.451 1.219 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000647090695 452055059 /nfs/dbraw/zinc/05/50/59/452055059.db2.gz OGOICPIFDYAZRD-GOSISDBHSA-N 3 2 344.503 1.580 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000647090695 452055067 /nfs/dbraw/zinc/05/50/67/452055067.db2.gz OGOICPIFDYAZRD-GOSISDBHSA-N 3 2 344.503 1.580 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000649416448 452077656 /nfs/dbraw/zinc/07/76/56/452077656.db2.gz AMDTVSLLIVSJDL-FUHWJXTLSA-N 2 2 332.492 1.688 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000649416448 452077662 /nfs/dbraw/zinc/07/76/62/452077662.db2.gz AMDTVSLLIVSJDL-FUHWJXTLSA-N 2 2 332.492 1.688 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000649416664 452078212 /nfs/dbraw/zinc/07/82/12/452078212.db2.gz HVFYQBDYYIHLJZ-LMMKCTJWSA-N 2 2 344.503 1.688 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000649416664 452078218 /nfs/dbraw/zinc/07/82/18/452078218.db2.gz HVFYQBDYYIHLJZ-LMMKCTJWSA-N 2 2 344.503 1.688 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000639765035 452105002 /nfs/dbraw/zinc/10/50/02/452105002.db2.gz HRNYRSLOIVALEJ-NVXWUHKLSA-N 2 2 342.867 1.468 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000639765035 452105012 /nfs/dbraw/zinc/10/50/12/452105012.db2.gz HRNYRSLOIVALEJ-NVXWUHKLSA-N 2 2 342.867 1.468 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766497 452109070 /nfs/dbraw/zinc/10/90/70/452109070.db2.gz QAKRLJKBAPZDTP-CBZIJGRNSA-N 2 2 325.497 1.458 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766497 452109076 /nfs/dbraw/zinc/10/90/76/452109076.db2.gz QAKRLJKBAPZDTP-CBZIJGRNSA-N 2 2 325.497 1.458 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000639767541 452109595 /nfs/dbraw/zinc/10/95/95/452109595.db2.gz UWSNXEWJKBGPBA-YQVWRLOYSA-N 2 2 337.508 1.556 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000639767541 452109598 /nfs/dbraw/zinc/10/95/98/452109598.db2.gz UWSNXEWJKBGPBA-YQVWRLOYSA-N 2 2 337.508 1.556 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639767639 452109738 /nfs/dbraw/zinc/10/97/38/452109738.db2.gz VRSJTDAZXBOBQE-MJGOQNOKSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639767639 452109742 /nfs/dbraw/zinc/10/97/42/452109742.db2.gz VRSJTDAZXBOBQE-MJGOQNOKSA-N 2 2 336.476 1.432 20 0 EDADLP COc1ncncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000647185820 452112833 /nfs/dbraw/zinc/11/28/33/452112833.db2.gz RQSGCDNSEMVXNF-QZTJIDSGSA-N 2 2 342.443 1.458 20 0 EDADLP COc1ncncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000647185820 452112836 /nfs/dbraw/zinc/11/28/36/452112836.db2.gz RQSGCDNSEMVXNF-QZTJIDSGSA-N 2 2 342.443 1.458 20 0 EDADLP C[N@@H+]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1(C)C ZINC000641592974 452113300 /nfs/dbraw/zinc/11/33/00/452113300.db2.gz RCKRDZARNUPXKR-UHFFFAOYSA-N 2 2 348.472 1.646 20 0 EDADLP C[N@H+]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1(C)C ZINC000641592974 452113305 /nfs/dbraw/zinc/11/33/05/452113305.db2.gz RCKRDZARNUPXKR-UHFFFAOYSA-N 2 2 348.472 1.646 20 0 EDADLP Cc1cncc(CC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000649502496 452114158 /nfs/dbraw/zinc/11/41/58/452114158.db2.gz ITMYBVXBXMCPPV-QZTJIDSGSA-N 2 2 331.508 1.818 20 0 EDADLP C[C@@H](Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1)C1CC[NH+](C)CC1 ZINC000643325528 452133090 /nfs/dbraw/zinc/13/30/90/452133090.db2.gz VOAIZLKLOLQMES-OAHLLOKOSA-N 2 2 330.476 1.761 20 0 EDADLP C[C@@H](Nc1cccc(C[N@H+]2CCNC(=O)C2)c1)C1CC[NH+](C)CC1 ZINC000643325528 452133093 /nfs/dbraw/zinc/13/30/93/452133093.db2.gz VOAIZLKLOLQMES-OAHLLOKOSA-N 2 2 330.476 1.761 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(OCC3CC3)cc2)CC1=O ZINC000651891493 452148028 /nfs/dbraw/zinc/14/80/28/452148028.db2.gz ZPFXMUZFNYNREI-UHFFFAOYSA-N 2 2 331.460 1.681 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)CC1=O ZINC000651891493 452148034 /nfs/dbraw/zinc/14/80/34/452148034.db2.gz ZPFXMUZFNYNREI-UHFFFAOYSA-N 2 2 331.460 1.681 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000649571721 452150955 /nfs/dbraw/zinc/15/09/55/452150955.db2.gz USZSRTATBQKXCA-APWZRJJASA-N 2 2 331.508 1.677 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000649571721 452150961 /nfs/dbraw/zinc/15/09/61/452150961.db2.gz USZSRTATBQKXCA-APWZRJJASA-N 2 2 331.508 1.677 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000637906628 452156289 /nfs/dbraw/zinc/15/62/89/452156289.db2.gz WLZUUDUBKVAVNT-UHFFFAOYSA-N 2 2 343.518 1.703 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)c1[nH+]cnc2c1cnn2C ZINC000641647319 452163636 /nfs/dbraw/zinc/16/36/36/452163636.db2.gz SODSQTAEHBQRPW-UHFFFAOYSA-N 2 2 325.420 1.717 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)c1[nH+]cnc2c1cnn2C ZINC000641647319 452163641 /nfs/dbraw/zinc/16/36/41/452163641.db2.gz SODSQTAEHBQRPW-UHFFFAOYSA-N 2 2 325.420 1.717 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641661943 452176223 /nfs/dbraw/zinc/17/62/23/452176223.db2.gz RLSXJIRBMHDODT-UHFFFAOYSA-N 2 2 340.512 1.167 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641661943 452176227 /nfs/dbraw/zinc/17/62/27/452176227.db2.gz RLSXJIRBMHDODT-UHFFFAOYSA-N 2 2 340.512 1.167 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000645222126 452218479 /nfs/dbraw/zinc/21/84/79/452218479.db2.gz RXBHPRJQRYVXQL-AWEZNQCLSA-N 2 2 341.402 1.630 20 0 EDADLP C[C@](O)(C[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)C1CC1 ZINC000639890941 452221033 /nfs/dbraw/zinc/22/10/33/452221033.db2.gz DFSKIIOBQQSDQL-AEFFLSMTSA-N 2 2 326.481 1.085 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056964 452226319 /nfs/dbraw/zinc/22/63/19/452226319.db2.gz AMMUPOULCUEBBQ-WCXIOVBPSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056964 452226328 /nfs/dbraw/zinc/22/63/28/452226328.db2.gz AMMUPOULCUEBBQ-WCXIOVBPSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000647507496 452244572 /nfs/dbraw/zinc/24/45/72/452244572.db2.gz QYWAKBKVMZMHGY-JXFKEZNVSA-N 3 2 346.519 1.765 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000647507496 452244577 /nfs/dbraw/zinc/24/45/77/452244577.db2.gz QYWAKBKVMZMHGY-JXFKEZNVSA-N 3 2 346.519 1.765 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000641771893 452245706 /nfs/dbraw/zinc/24/57/06/452245706.db2.gz MDPJOYXMOYCDRE-OAHLLOKOSA-N 2 2 328.478 1.273 20 0 EDADLP COCc1csc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000657432681 452247143 /nfs/dbraw/zinc/24/71/43/452247143.db2.gz OWIIFDQYWFXLAQ-HNNXBMFYSA-N 2 2 348.472 1.909 20 0 EDADLP c1csc(CC[NH+]2CCN(c3nc[nH+]c4c3OCCN4)CC2)c1 ZINC000665694225 452250855 /nfs/dbraw/zinc/25/08/55/452250855.db2.gz GRZIONVHCDQQQR-UHFFFAOYSA-N 2 2 331.445 1.707 20 0 EDADLP CCCn1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641787574 452263077 /nfs/dbraw/zinc/26/30/77/452263077.db2.gz CVLUPSYNHCSROC-GOSISDBHSA-N 2 2 335.496 1.179 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000643500888 452268412 /nfs/dbraw/zinc/26/84/12/452268412.db2.gz FZWWTCJAJIOMDI-HIFRSBDPSA-N 2 2 325.478 1.730 20 0 EDADLP C[N@@H+]1CCN(Cc2cc3c(c(Br)c2)OCO3)[C@@H](C[NH3+])C1 ZINC000647539192 452270146 /nfs/dbraw/zinc/27/01/46/452270146.db2.gz COBTZQLBQGWTHP-NSHDSACASA-N 2 2 342.237 1.253 20 0 EDADLP C[N@H+]1CCN(Cc2cc3c(c(Br)c2)OCO3)[C@@H](C[NH3+])C1 ZINC000647539192 452270158 /nfs/dbraw/zinc/27/01/58/452270158.db2.gz COBTZQLBQGWTHP-NSHDSACASA-N 2 2 342.237 1.253 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000659431529 452276047 /nfs/dbraw/zinc/27/60/47/452276047.db2.gz MULCDXFICAXELH-UHFFFAOYSA-N 2 2 344.459 1.152 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000641802630 452278394 /nfs/dbraw/zinc/27/83/94/452278394.db2.gz AENBEWYXSKPMOV-NEPJUHHUSA-N 2 2 340.353 1.897 20 0 EDADLP CCc1csc(CC2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)n1 ZINC000655492074 452290513 /nfs/dbraw/zinc/29/05/13/452290513.db2.gz QMZSHECWWOHMHL-OAHLLOKOSA-N 2 2 338.521 1.766 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659450901 452299426 /nfs/dbraw/zinc/29/94/26/452299426.db2.gz HOFDIHFQBGZYRZ-NVXWUHKLSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659450901 452299438 /nfs/dbraw/zinc/29/94/38/452299438.db2.gz HOFDIHFQBGZYRZ-NVXWUHKLSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnc(C[NH3+])nc3)n2)C1 ZINC000638050942 452322982 /nfs/dbraw/zinc/32/29/82/452322982.db2.gz WCRMDJYHWAPYEU-NSHDSACASA-N 2 2 346.460 1.876 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnc(C[NH3+])nc3)n2)C1 ZINC000638050942 452322996 /nfs/dbraw/zinc/32/29/96/452322996.db2.gz WCRMDJYHWAPYEU-NSHDSACASA-N 2 2 346.460 1.876 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+](CC(C)C)CC3)cc2[nH+]1 ZINC000657546030 452325506 /nfs/dbraw/zinc/32/55/06/452325506.db2.gz MJVHOQMSDDSKQB-UHFFFAOYSA-N 2 2 343.431 1.381 20 0 EDADLP CCO[C@@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1C[NH3+] ZINC000652130602 452326530 /nfs/dbraw/zinc/32/65/30/452326530.db2.gz UBARHKLSPVMNKS-GDBMZVCRSA-N 2 2 347.463 1.056 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(C[NH3+])cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000652147075 452340040 /nfs/dbraw/zinc/34/00/40/452340040.db2.gz GWPWYYDHBLASLN-STQMWFEESA-N 2 2 338.427 1.193 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665763976 452348918 /nfs/dbraw/zinc/34/89/18/452348918.db2.gz QMBNOYIMOUDROH-IRXDYDNUSA-N 3 2 341.544 1.384 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665763976 452348924 /nfs/dbraw/zinc/34/89/24/452348924.db2.gz QMBNOYIMOUDROH-IRXDYDNUSA-N 3 2 341.544 1.384 20 0 EDADLP CCCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@H+](C)C1 ZINC000645387901 452361511 /nfs/dbraw/zinc/36/15/11/452361511.db2.gz MTXBKIBJJUIZLT-CVEARBPZSA-N 2 2 331.464 1.786 20 0 EDADLP CCCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645387901 452361520 /nfs/dbraw/zinc/36/15/20/452361520.db2.gz MTXBKIBJJUIZLT-CVEARBPZSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@@H]1CCC[C@@]1(O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655551903 452368872 /nfs/dbraw/zinc/36/88/72/452368872.db2.gz JZGYMFWPTNRCCF-RVKKMQEKSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@@H]1CCC[C@@]1(O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655551903 452368879 /nfs/dbraw/zinc/36/88/79/452368879.db2.gz JZGYMFWPTNRCCF-RVKKMQEKSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)C1 ZINC000657598964 452371787 /nfs/dbraw/zinc/37/17/87/452371787.db2.gz XHGPCVAGMIMCNU-BHIYHBOVSA-N 2 2 334.460 1.580 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)C1 ZINC000657598964 452371795 /nfs/dbraw/zinc/37/17/95/452371795.db2.gz XHGPCVAGMIMCNU-BHIYHBOVSA-N 2 2 334.460 1.580 20 0 EDADLP C[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000659511160 452375018 /nfs/dbraw/zinc/37/50/18/452375018.db2.gz PTDAGPNZKSLCJR-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000665797441 452377583 /nfs/dbraw/zinc/37/75/83/452377583.db2.gz CVPQRNNDZFXEPN-UHFFFAOYSA-N 2 2 332.448 1.544 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652197420 452394348 /nfs/dbraw/zinc/39/43/48/452394348.db2.gz ZFNSCSRUMLTIBY-SOUVJXGZSA-N 2 2 335.452 1.331 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654356234 452407386 /nfs/dbraw/zinc/40/73/86/452407386.db2.gz QNHAEIDTRFUBPB-GASCZTMLSA-N 2 2 329.448 1.984 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663672962 452409633 /nfs/dbraw/zinc/40/96/33/452409633.db2.gz DTLHRSYVOKIOQT-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])cn21 ZINC000659559682 452416560 /nfs/dbraw/zinc/41/65/60/452416560.db2.gz PQVMROKWWCROPZ-CJNGLKHVSA-N 2 2 329.448 1.954 20 0 EDADLP CC[C@H](OCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000652225867 452417603 /nfs/dbraw/zinc/41/76/03/452417603.db2.gz GVZZYEAAAZQGLK-IRXDYDNUSA-N 2 2 334.464 1.439 20 0 EDADLP CC[C@H](OCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000652225867 452417608 /nfs/dbraw/zinc/41/76/08/452417608.db2.gz GVZZYEAAAZQGLK-IRXDYDNUSA-N 2 2 334.464 1.439 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C(C)(C)CO ZINC000663690660 452428298 /nfs/dbraw/zinc/42/82/98/452428298.db2.gz ZRYNZPXFMUYOGR-ZFWWWQNUSA-N 2 2 349.479 1.263 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000663690660 452428304 /nfs/dbraw/zinc/42/83/04/452428304.db2.gz ZRYNZPXFMUYOGR-ZFWWWQNUSA-N 2 2 349.479 1.263 20 0 EDADLP Oc1ccc(C[NH+]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000640111285 452436503 /nfs/dbraw/zinc/43/65/03/452436503.db2.gz WPJCXTZNIWMBCP-KDURUIRLSA-N 2 2 331.460 1.373 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(C)(C)CO ZINC000663717650 452454474 /nfs/dbraw/zinc/45/44/74/452454474.db2.gz XJJREJPIDFNSSX-ZNMIVQPWSA-N 2 2 349.479 1.406 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C(C)(C)CO ZINC000663717650 452454482 /nfs/dbraw/zinc/45/44/82/452454482.db2.gz XJJREJPIDFNSSX-ZNMIVQPWSA-N 2 2 349.479 1.406 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@@H]3COCC[N@@H+]3C)ccc21 ZINC000640179148 452493310 /nfs/dbraw/zinc/49/33/10/452493310.db2.gz SBJKDGBHMGUSIN-OAHLLOKOSA-N 2 2 343.431 1.753 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@@H]3COCC[N@H+]3C)ccc21 ZINC000640179148 452493317 /nfs/dbraw/zinc/49/33/17/452493317.db2.gz SBJKDGBHMGUSIN-OAHLLOKOSA-N 2 2 343.431 1.753 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)NCc1ccccc1 ZINC000655702182 452523656 /nfs/dbraw/zinc/52/36/56/452523656.db2.gz YVFXSLVQBREISQ-LPHOPBHVSA-N 2 2 345.487 1.924 20 0 EDADLP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655710646 452529609 /nfs/dbraw/zinc/52/96/09/452529609.db2.gz CTDJAZLSDDGOIL-MOPGFXCFSA-N 2 2 345.487 1.529 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000652358190 452540470 /nfs/dbraw/zinc/54/04/70/452540470.db2.gz KKCAGRVDROJRKJ-BPQIPLTHSA-N 2 2 331.460 1.476 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000652358190 452540474 /nfs/dbraw/zinc/54/04/74/452540474.db2.gz KKCAGRVDROJRKJ-BPQIPLTHSA-N 2 2 331.460 1.476 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814590 452543159 /nfs/dbraw/zinc/54/31/59/452543159.db2.gz UYCQBLFCAONFIB-UHFFFAOYSA-N 2 2 331.460 1.706 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814590 452543174 /nfs/dbraw/zinc/54/31/74/452543174.db2.gz UYCQBLFCAONFIB-UHFFFAOYSA-N 2 2 331.460 1.706 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000654487246 452559260 /nfs/dbraw/zinc/55/92/60/452559260.db2.gz DANVZXMSKBSMOD-CYBMUJFWSA-N 2 2 343.431 1.518 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000654487246 452559272 /nfs/dbraw/zinc/55/92/72/452559272.db2.gz DANVZXMSKBSMOD-CYBMUJFWSA-N 2 2 343.431 1.518 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CN1c1ccccc1F ZINC000655769994 452566516 /nfs/dbraw/zinc/56/65/16/452566516.db2.gz VPFBTPJQJIWYLX-HOTGVXAUSA-N 2 2 347.434 1.774 20 0 EDADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834808 452568382 /nfs/dbraw/zinc/56/83/82/452568382.db2.gz ZFYRUTIPJSQLAR-UHFFFAOYSA-N 2 2 332.492 1.894 20 0 EDADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834808 452568385 /nfs/dbraw/zinc/56/83/85/452568385.db2.gz ZFYRUTIPJSQLAR-UHFFFAOYSA-N 2 2 332.492 1.894 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000654499910 452575693 /nfs/dbraw/zinc/57/56/93/452575693.db2.gz XSBMLQVWRUOZTH-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000654499910 452575702 /nfs/dbraw/zinc/57/57/02/452575702.db2.gz XSBMLQVWRUOZTH-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000652426312 452619155 /nfs/dbraw/zinc/61/91/55/452619155.db2.gz STOCNUZFVMDCAV-HNNXBMFYSA-N 2 2 349.479 1.557 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000652426312 452619164 /nfs/dbraw/zinc/61/91/64/452619164.db2.gz STOCNUZFVMDCAV-HNNXBMFYSA-N 2 2 349.479 1.557 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901649 452642788 /nfs/dbraw/zinc/64/27/88/452642788.db2.gz SGKUMDXOAFHEPK-RBUKOAKNSA-N 2 2 345.487 1.913 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901649 452642795 /nfs/dbraw/zinc/64/27/95/452642795.db2.gz SGKUMDXOAFHEPK-RBUKOAKNSA-N 2 2 345.487 1.913 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000647901911 452642881 /nfs/dbraw/zinc/64/28/81/452642881.db2.gz XGQUPPLKWJUGAX-RCCFBDPRSA-N 2 2 343.471 1.570 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000647901911 452642890 /nfs/dbraw/zinc/64/28/90/452642890.db2.gz XGQUPPLKWJUGAX-RCCFBDPRSA-N 2 2 343.471 1.570 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902833 452644968 /nfs/dbraw/zinc/64/49/68/452644968.db2.gz COSPUYBFNOXTLT-IRXDYDNUSA-N 2 2 325.497 1.629 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902833 452644976 /nfs/dbraw/zinc/64/49/76/452644976.db2.gz COSPUYBFNOXTLT-IRXDYDNUSA-N 2 2 325.497 1.629 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)C2)C1 ZINC000663935539 452656512 /nfs/dbraw/zinc/65/65/12/452656512.db2.gz LBLDMUNUHZPJMR-SFHVURJKSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)C2)C1 ZINC000663935539 452656517 /nfs/dbraw/zinc/65/65/17/452656517.db2.gz LBLDMUNUHZPJMR-SFHVURJKSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)C2)C1 ZINC000663935539 452656524 /nfs/dbraw/zinc/65/65/24/452656524.db2.gz LBLDMUNUHZPJMR-SFHVURJKSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)C2)C1 ZINC000663935539 452656532 /nfs/dbraw/zinc/65/65/32/452656532.db2.gz LBLDMUNUHZPJMR-SFHVURJKSA-N 2 2 331.464 1.360 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661892699 452659958 /nfs/dbraw/zinc/65/99/58/452659958.db2.gz CBDQFEWJGHFAMM-DLBZAZTESA-N 2 2 338.496 1.223 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C)c[nH+]1 ZINC000652589134 452759498 /nfs/dbraw/zinc/75/94/98/452759498.db2.gz PYQNMYNYBCHLNJ-ZOBUZTSGSA-N 2 2 332.448 1.871 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653083 452759658 /nfs/dbraw/zinc/75/96/58/452759658.db2.gz XHFPFPYMAMIKQT-JONQDZQNSA-N 2 2 349.479 1.417 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653083 452759660 /nfs/dbraw/zinc/75/96/60/452759660.db2.gz XHFPFPYMAMIKQT-JONQDZQNSA-N 2 2 349.479 1.417 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655119 452763467 /nfs/dbraw/zinc/76/34/67/452763467.db2.gz LIUGSHJRNQRBJX-WCVJEAGWSA-N 2 2 326.485 1.220 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655119 452763477 /nfs/dbraw/zinc/76/34/77/452763477.db2.gz LIUGSHJRNQRBJX-WCVJEAGWSA-N 2 2 326.485 1.220 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655119 452763487 /nfs/dbraw/zinc/76/34/87/452763487.db2.gz LIUGSHJRNQRBJX-WCVJEAGWSA-N 2 2 326.485 1.220 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655119 452763492 /nfs/dbraw/zinc/76/34/92/452763492.db2.gz LIUGSHJRNQRBJX-WCVJEAGWSA-N 2 2 326.485 1.220 20 0 EDADLP O=C(CC[N@@H+]1CC[C@H]2COC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662035659 452785648 /nfs/dbraw/zinc/78/56/48/452785648.db2.gz GJZCJCWFVSSUGV-DLBZAZTESA-N 2 2 344.459 1.089 20 0 EDADLP O=C(CC[N@H+]1CC[C@H]2COC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662035659 452785654 /nfs/dbraw/zinc/78/56/54/452785654.db2.gz GJZCJCWFVSSUGV-DLBZAZTESA-N 2 2 344.459 1.089 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654738372 452868256 /nfs/dbraw/zinc/86/82/56/452868256.db2.gz NZFABIHLXYITHZ-YVSFHVDLSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654738372 452868264 /nfs/dbraw/zinc/86/82/64/452868264.db2.gz NZFABIHLXYITHZ-YVSFHVDLSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654738372 452868275 /nfs/dbraw/zinc/86/82/75/452868275.db2.gz NZFABIHLXYITHZ-YVSFHVDLSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654738372 452868283 /nfs/dbraw/zinc/86/82/83/452868283.db2.gz NZFABIHLXYITHZ-YVSFHVDLSA-N 2 2 336.480 1.166 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CCN1C ZINC000648167409 452877354 /nfs/dbraw/zinc/87/73/54/452877354.db2.gz LZINPQBVUXTPML-GJZGRUSLSA-N 2 2 347.850 1.589 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)CC[N@H+]1C ZINC000664215410 452889768 /nfs/dbraw/zinc/88/97/68/452889768.db2.gz BMCCDXKYWWIKLB-RDBSUJKOSA-N 2 2 337.468 1.262 20 0 EDADLP CCOc1ccccc1OCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154202 452891088 /nfs/dbraw/zinc/89/10/88/452891088.db2.gz FJYDGJXNAQPNDT-KRWDZBQOSA-N 2 2 334.460 1.995 20 0 EDADLP CCOc1ccccc1OCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154202 452891094 /nfs/dbraw/zinc/89/10/94/452891094.db2.gz FJYDGJXNAQPNDT-KRWDZBQOSA-N 2 2 334.460 1.995 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000664217212 452893123 /nfs/dbraw/zinc/89/31/23/452893123.db2.gz AYVMWZATUZVAIS-ARFHVFGLSA-N 2 2 340.512 1.373 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000664217212 452893131 /nfs/dbraw/zinc/89/31/31/452893131.db2.gz AYVMWZATUZVAIS-ARFHVFGLSA-N 2 2 340.512 1.373 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc(C)n[nH]3)CC2)CC1 ZINC000654788037 452922708 /nfs/dbraw/zinc/92/27/08/452922708.db2.gz NVIAUVIWMWDKFT-UHFFFAOYSA-N 2 2 333.480 1.531 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc(C)[nH]n3)CC2)CC1 ZINC000654788037 452922715 /nfs/dbraw/zinc/92/27/15/452922715.db2.gz NVIAUVIWMWDKFT-UHFFFAOYSA-N 2 2 333.480 1.531 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)CCCN4)C2)CC1 ZINC000645978246 452964636 /nfs/dbraw/zinc/96/46/36/452964636.db2.gz ZEZWASMIQIXBHP-QGZVFWFLSA-N 2 2 342.487 1.943 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)CCCN4)C2)CC1 ZINC000645978246 452964651 /nfs/dbraw/zinc/96/46/51/452964651.db2.gz ZEZWASMIQIXBHP-QGZVFWFLSA-N 2 2 342.487 1.943 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2OCc3ccccc32)CC1 ZINC000654857525 452980943 /nfs/dbraw/zinc/98/09/43/452980943.db2.gz WXDQJPZUQHBXQV-GOSISDBHSA-N 2 2 331.460 1.790 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255059 452983802 /nfs/dbraw/zinc/98/38/02/452983802.db2.gz WBSQHBBDPCHEGD-AEFFLSMTSA-N 2 2 346.475 1.817 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255059 452983807 /nfs/dbraw/zinc/98/38/07/452983807.db2.gz WBSQHBBDPCHEGD-AEFFLSMTSA-N 2 2 346.475 1.817 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662261209 452991239 /nfs/dbraw/zinc/99/12/39/452991239.db2.gz UTKZFAJSJZVEDG-LJQANCHMSA-N 2 2 345.487 1.724 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(N4CCC4)nc3)C2)CC1 ZINC000648316191 452999008 /nfs/dbraw/zinc/99/90/08/452999008.db2.gz NHCCNDWYYFZCDC-INIZCTEOSA-N 2 2 343.475 1.190 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(N4CCC4)nc3)C2)CC1 ZINC000648316191 452999011 /nfs/dbraw/zinc/99/90/11/452999011.db2.gz NHCCNDWYYFZCDC-INIZCTEOSA-N 2 2 343.475 1.190 20 0 EDADLP COc1cc(N[C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000662278552 453003672 /nfs/dbraw/zinc/00/36/72/453003672.db2.gz GOQWIYHSBMZGIP-RDTXWAMCSA-N 2 2 335.448 1.569 20 0 EDADLP COc1cc(N[C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000662278552 453003675 /nfs/dbraw/zinc/00/36/75/453003675.db2.gz GOQWIYHSBMZGIP-RDTXWAMCSA-N 2 2 335.448 1.569 20 0 EDADLP O=C1N[C@H]2C[N@H+](Cc3cc(C4CC4)no3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000662283057 453007289 /nfs/dbraw/zinc/00/72/89/453007289.db2.gz ZVNPXZKVYRVZJG-IRXDYDNUSA-N 2 2 345.447 1.272 20 0 EDADLP O=C1N[C@H]2C[N@@H+](Cc3cc(C4CC4)no3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000662283057 453007295 /nfs/dbraw/zinc/00/72/95/453007295.db2.gz ZVNPXZKVYRVZJG-IRXDYDNUSA-N 2 2 345.447 1.272 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2F)CC1 ZINC000646013811 453011405 /nfs/dbraw/zinc/01/14/05/453011405.db2.gz ZQXITTNWSNBMTQ-IBGZPJMESA-N 2 2 333.451 1.997 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccccc2F)CC1 ZINC000646013811 453011417 /nfs/dbraw/zinc/01/14/17/453011417.db2.gz ZQXITTNWSNBMTQ-IBGZPJMESA-N 2 2 333.451 1.997 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320203 453038686 /nfs/dbraw/zinc/03/86/86/453038686.db2.gz RYEVOKSREZMPDO-XMTFNYHQSA-N 2 2 339.524 1.922 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320203 453038694 /nfs/dbraw/zinc/03/86/94/453038694.db2.gz RYEVOKSREZMPDO-XMTFNYHQSA-N 2 2 339.524 1.922 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](Cc2ccccc2)C1 ZINC000652882079 453038899 /nfs/dbraw/zinc/03/88/99/453038899.db2.gz LADWCQIZKDMYCK-QZTJIDSGSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](Cc2ccccc2)C1 ZINC000652882079 453038908 /nfs/dbraw/zinc/03/89/08/453038908.db2.gz LADWCQIZKDMYCK-QZTJIDSGSA-N 2 2 338.455 1.831 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000644155488 453087575 /nfs/dbraw/zinc/08/75/75/453087575.db2.gz KMMWZTMQWUUELE-WBVHZDCISA-N 2 2 331.460 1.870 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000644155488 453087583 /nfs/dbraw/zinc/08/75/83/453087583.db2.gz KMMWZTMQWUUELE-WBVHZDCISA-N 2 2 331.460 1.870 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000662388594 453099295 /nfs/dbraw/zinc/09/92/95/453099295.db2.gz OVRRDKHJMFOJPE-WBVHZDCISA-N 2 2 348.491 1.934 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103206 453103579 /nfs/dbraw/zinc/10/35/79/453103579.db2.gz IXNWGNNDOZZVIR-ZACQAIPSSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103206 453103585 /nfs/dbraw/zinc/10/35/85/453103585.db2.gz IXNWGNNDOZZVIR-ZACQAIPSSA-N 2 2 337.508 1.676 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](CCOC)CC1(C)C ZINC000652926836 453108889 /nfs/dbraw/zinc/10/88/89/453108889.db2.gz OQOWREJQAFTGLF-OAHLLOKOSA-N 2 2 336.480 1.966 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](CCOC)CC1(C)C ZINC000652926836 453108898 /nfs/dbraw/zinc/10/88/98/453108898.db2.gz OQOWREJQAFTGLF-OAHLLOKOSA-N 2 2 336.480 1.966 20 0 EDADLP CN1CC[NH+](C(C)(C)CNC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000654994835 453112367 /nfs/dbraw/zinc/11/23/67/453112367.db2.gz FOBFNTVBYOOTFC-UHFFFAOYSA-N 2 2 344.463 1.160 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)c(F)c2)[C@H](C[NH3+])C1 ZINC000662428587 453137423 /nfs/dbraw/zinc/13/74/23/453137423.db2.gz JXRPQKBIOIBDCH-LLVKDONJSA-N 2 2 329.803 1.349 20 0 EDADLP C[N@H+]1CCN(C(=O)CCOc2ccc(Cl)c(F)c2)[C@H](C[NH3+])C1 ZINC000662428587 453137429 /nfs/dbraw/zinc/13/74/29/453137429.db2.gz JXRPQKBIOIBDCH-LLVKDONJSA-N 2 2 329.803 1.349 20 0 EDADLP C[C@@H](O)CNc1cc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)nc[nH+]1 ZINC000664538093 453178465 /nfs/dbraw/zinc/17/84/65/453178465.db2.gz YEPFBMQFIIFRFC-RBSFLKMASA-N 2 2 347.463 1.325 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000660300258 453188879 /nfs/dbraw/zinc/18/88/79/453188879.db2.gz QITBMKBWIYIUFR-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000660300258 453188889 /nfs/dbraw/zinc/18/88/89/453188889.db2.gz QITBMKBWIYIUFR-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nccn1-c1ccccc1 ZINC000666868151 453201520 /nfs/dbraw/zinc/20/15/20/453201520.db2.gz IMYOZDCZVMNAHK-UHFFFAOYSA-N 2 2 344.463 1.877 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nccn1-c1ccccc1 ZINC000666868151 453201529 /nfs/dbraw/zinc/20/15/29/453201529.db2.gz IMYOZDCZVMNAHK-UHFFFAOYSA-N 2 2 344.463 1.877 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660346129 453235753 /nfs/dbraw/zinc/23/57/53/453235753.db2.gz QRVMOBAVVGGZQS-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660346129 453235756 /nfs/dbraw/zinc/23/57/56/453235756.db2.gz QRVMOBAVVGGZQS-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653060386 453236497 /nfs/dbraw/zinc/23/64/97/453236497.db2.gz BOVZTHTWTDVCHW-CZUORRHYSA-N 2 2 330.436 1.066 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000660357926 453242847 /nfs/dbraw/zinc/24/28/47/453242847.db2.gz PCBCJRPGOBWKDO-UHFFFAOYSA-N 2 2 331.464 1.775 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn21 ZINC000646234968 453247437 /nfs/dbraw/zinc/24/74/37/453247437.db2.gz XCTDZIQICJDJIB-USXIJHARSA-N 2 2 341.459 1.954 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000666925194 453251620 /nfs/dbraw/zinc/25/16/20/453251620.db2.gz SSRYOLMPTFOQFT-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000666925194 453251626 /nfs/dbraw/zinc/25/16/26/453251626.db2.gz SSRYOLMPTFOQFT-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653075082 453252378 /nfs/dbraw/zinc/25/23/78/453252378.db2.gz DNPHCVZUWCOWBY-RISCZKNCSA-N 2 2 342.281 1.775 20 0 EDADLP Cc1nc(N2CCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)cc[nH+]1 ZINC000662536137 453260413 /nfs/dbraw/zinc/26/04/13/453260413.db2.gz VUBUVBZDDZPVST-KRWDZBQOSA-N 2 2 337.427 1.668 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000653083688 453265086 /nfs/dbraw/zinc/26/50/86/453265086.db2.gz FZGSEPQAFSQJAD-IRXDYDNUSA-N 2 2 346.475 1.077 20 0 EDADLP CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000653083399 453265213 /nfs/dbraw/zinc/26/52/13/453265213.db2.gz XWKKQKUMJYSFGT-ZBFHGGJFSA-N 2 2 334.464 1.531 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCC[NH+]1CCCC1)C(C)(C)CO ZINC000656541702 453266517 /nfs/dbraw/zinc/26/65/17/453266517.db2.gz UOVFWPPUQXDRCF-AWEZNQCLSA-N 2 2 337.468 1.265 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(OC)c1 ZINC000666946802 453270689 /nfs/dbraw/zinc/27/06/89/453270689.db2.gz RDWHKGDUWHLDBP-AGIUHOORSA-N 2 2 339.411 1.711 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000653090210 453272279 /nfs/dbraw/zinc/27/22/79/453272279.db2.gz IVZIUDCKLDGNBZ-JTQLQIEISA-N 2 2 337.317 1.984 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000653100733 453283223 /nfs/dbraw/zinc/28/32/23/453283223.db2.gz WVMJOIDUKBWRFN-ROUUACIJSA-N 2 2 333.476 1.516 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000653106833 453289522 /nfs/dbraw/zinc/28/95/22/453289522.db2.gz NTYNMSKHEATJAR-ZWKOTPCHSA-N 2 2 331.460 1.566 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653106922 453290311 /nfs/dbraw/zinc/29/03/11/453290311.db2.gz QPNZLZWSCJBSAG-OALUTQOASA-N 2 2 345.487 1.874 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653110464 453295878 /nfs/dbraw/zinc/29/58/78/453295878.db2.gz JIORYKRASQFCPA-GBESFXJTSA-N 2 2 343.471 1.707 20 0 EDADLP CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653119600 453308250 /nfs/dbraw/zinc/30/82/50/453308250.db2.gz PMKFOMIPMQGIMQ-INIZCTEOSA-N 2 2 329.448 1.169 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000653121073 453311167 /nfs/dbraw/zinc/31/11/67/453311167.db2.gz MRPYYRVSXWCFIO-UKRRQHHQSA-N 2 2 338.427 1.634 20 0 EDADLP CC(C)O[C@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664677500 453312089 /nfs/dbraw/zinc/31/20/89/453312089.db2.gz KHQAJTDOYDZMSM-HOTGVXAUSA-N 2 2 342.528 1.761 20 0 EDADLP CC(C)O[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664677500 453312096 /nfs/dbraw/zinc/31/20/96/453312096.db2.gz KHQAJTDOYDZMSM-HOTGVXAUSA-N 2 2 342.528 1.761 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121468 453313623 /nfs/dbraw/zinc/31/36/23/453313623.db2.gz WANYHWRRQZGAPS-NXHRZFHOSA-N 3 2 332.492 1.292 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121468 453313627 /nfs/dbraw/zinc/31/36/27/453313627.db2.gz WANYHWRRQZGAPS-NXHRZFHOSA-N 3 2 332.492 1.292 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(C)c2)CC1 ZINC000653123727 453317086 /nfs/dbraw/zinc/31/70/86/453317086.db2.gz FIHMATSBNHHRDG-QGZVFWFLSA-N 3 2 347.507 1.354 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)OC(C)C ZINC000653155289 453344957 /nfs/dbraw/zinc/34/49/57/453344957.db2.gz OACFIXKTEVMFLR-WBVHZDCISA-N 2 2 337.464 1.557 20 0 EDADLP CCc1c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000653160815 453354412 /nfs/dbraw/zinc/35/44/12/453354412.db2.gz XYIPPBHUPPCZRC-OAHLLOKOSA-N 2 2 329.448 1.961 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)ccc2N2CCCCC2)[C@H](C[NH3+])C1 ZINC000667039243 453355338 /nfs/dbraw/zinc/35/53/38/453355338.db2.gz OMFNVPMLDGVCOV-OAHLLOKOSA-N 2 2 349.454 1.923 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(F)ccc2N2CCCCC2)[C@H](C[NH3+])C1 ZINC000667039243 453355347 /nfs/dbraw/zinc/35/53/47/453355347.db2.gz OMFNVPMLDGVCOV-OAHLLOKOSA-N 2 2 349.454 1.923 20 0 EDADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653168462 453360185 /nfs/dbraw/zinc/36/01/85/453360185.db2.gz BLDNMXXFCNJUOO-SFHVURJKSA-N 3 2 347.507 1.426 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000658777688 453380484 /nfs/dbraw/zinc/38/04/84/453380484.db2.gz FRQAJTNFPWRFRG-CQSZACIVSA-N 2 2 343.431 1.421 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000658777688 453380493 /nfs/dbraw/zinc/38/04/93/453380493.db2.gz FRQAJTNFPWRFRG-CQSZACIVSA-N 2 2 343.431 1.421 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000658782081 453389987 /nfs/dbraw/zinc/38/99/87/453389987.db2.gz FJNXEIGNYHXVPP-CQSZACIVSA-N 2 2 329.404 1.182 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000658782081 453389994 /nfs/dbraw/zinc/38/99/94/453389994.db2.gz FJNXEIGNYHXVPP-CQSZACIVSA-N 2 2 329.404 1.182 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000646448514 453397348 /nfs/dbraw/zinc/39/73/48/453397348.db2.gz AUFCEFXADBBPBP-QZTJIDSGSA-N 2 2 340.427 1.808 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000646448514 453397351 /nfs/dbraw/zinc/39/73/51/453397351.db2.gz AUFCEFXADBBPBP-QZTJIDSGSA-N 2 2 340.427 1.808 20 0 EDADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000646484360 453430332 /nfs/dbraw/zinc/43/03/32/453430332.db2.gz PKJDAQPXRHIHGD-QRQLOZEOSA-N 2 2 344.503 1.526 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651282385 453431040 /nfs/dbraw/zinc/43/10/40/453431040.db2.gz QXASTDZVSUFLPZ-UHFFFAOYSA-N 2 2 341.459 1.747 20 0 EDADLP CCn1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000651315281 453460474 /nfs/dbraw/zinc/46/04/74/453460474.db2.gz STGYDADWOALSCX-KRWDZBQOSA-N 2 2 333.480 1.072 20 0 EDADLP CCn1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000651315281 453460480 /nfs/dbraw/zinc/46/04/80/453460480.db2.gz STGYDADWOALSCX-KRWDZBQOSA-N 2 2 333.480 1.072 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000655351876 453470414 /nfs/dbraw/zinc/47/04/14/453470414.db2.gz URGVDRPKEIGDDT-SQNIBIBYSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000655351876 453470424 /nfs/dbraw/zinc/47/04/24/453470424.db2.gz URGVDRPKEIGDDT-SQNIBIBYSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000655351876 453470429 /nfs/dbraw/zinc/47/04/29/453470429.db2.gz URGVDRPKEIGDDT-SQNIBIBYSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000655351876 453470437 /nfs/dbraw/zinc/47/04/37/453470437.db2.gz URGVDRPKEIGDDT-SQNIBIBYSA-N 2 2 335.492 1.763 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1(C)C ZINC000662755785 453491455 /nfs/dbraw/zinc/49/14/55/453491455.db2.gz FXWFUDSDGKTFIT-CABCVRRESA-N 2 2 342.447 1.764 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662758476 453496475 /nfs/dbraw/zinc/49/64/75/453496475.db2.gz OUMIIQXUBCAVJT-OAHLLOKOSA-N 2 2 328.460 1.962 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000667237287 453500612 /nfs/dbraw/zinc/50/06/12/453500612.db2.gz UVXOQMGJLZCTSC-CQSZACIVSA-N 2 2 333.436 1.490 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655447690 453535065 /nfs/dbraw/zinc/53/50/65/453535065.db2.gz YUCOGEKWLHNBHL-RISCZKNCSA-N 2 2 330.354 1.794 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000665045073 453551201 /nfs/dbraw/zinc/55/12/01/453551201.db2.gz DEGCVSJEKIGERN-HOTGVXAUSA-N 2 2 349.479 1.860 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)c3cc(C(C)(C)[NH3+])no3)cn21 ZINC000662822525 453552502 /nfs/dbraw/zinc/55/25/02/453552502.db2.gz CDTPNYKZDYBQQU-UHFFFAOYSA-N 2 2 327.388 1.797 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)[C@H](C)CO1 ZINC000662860169 453574649 /nfs/dbraw/zinc/57/46/49/453574649.db2.gz QYLQWUHUIYYXDE-UEKVPHQBSA-N 2 2 327.375 1.190 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)[C@H](C)CO1 ZINC000662860169 453574656 /nfs/dbraw/zinc/57/46/56/453574656.db2.gz QYLQWUHUIYYXDE-UEKVPHQBSA-N 2 2 327.375 1.190 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659003949 453576389 /nfs/dbraw/zinc/57/63/89/453576389.db2.gz DPGPTAIBODVNTO-CHWSQXEVSA-N 2 2 337.399 1.130 20 0 EDADLP CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900530 453593881 /nfs/dbraw/zinc/59/38/81/453593881.db2.gz MZZRIETUGYEHDU-SFHVURJKSA-N 3 2 330.476 1.386 20 0 EDADLP CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900530 453593883 /nfs/dbraw/zinc/59/38/83/453593883.db2.gz MZZRIETUGYEHDU-SFHVURJKSA-N 3 2 330.476 1.386 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000665172019 453600878 /nfs/dbraw/zinc/60/08/78/453600878.db2.gz BAPYOQSJMIMTSJ-QVOMUQBLSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000665172019 453600880 /nfs/dbraw/zinc/60/08/80/453600880.db2.gz BAPYOQSJMIMTSJ-QVOMUQBLSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc[nH+]c2N2CCCC2)CC[N@@H+]1C ZINC000660858961 453615816 /nfs/dbraw/zinc/61/58/16/453615816.db2.gz UAVXNCIVMXRLMC-GDBMZVCRSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc[nH+]c2N2CCCC2)CC[N@H+]1C ZINC000660858961 453615818 /nfs/dbraw/zinc/61/58/18/453615818.db2.gz UAVXNCIVMXRLMC-GDBMZVCRSA-N 2 2 331.464 1.964 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000665283223 453634604 /nfs/dbraw/zinc/63/46/04/453634604.db2.gz JKNUOVWPTJJESJ-AQNXPRMDSA-N 3 2 330.520 1.910 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000665283223 453634606 /nfs/dbraw/zinc/63/46/06/453634606.db2.gz JKNUOVWPTJJESJ-AQNXPRMDSA-N 3 2 330.520 1.910 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(F)c1 ZINC000657071747 453661240 /nfs/dbraw/zinc/66/12/40/453661240.db2.gz UJWIZJXAWXKGEY-ZDUSSCGKSA-N 2 2 331.457 1.376 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(F)c1 ZINC000657071747 453661242 /nfs/dbraw/zinc/66/12/42/453661242.db2.gz UJWIZJXAWXKGEY-ZDUSSCGKSA-N 2 2 331.457 1.376 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC12CCC(CC1)C2 ZINC000657071940 453662281 /nfs/dbraw/zinc/66/22/81/453662281.db2.gz WXZNPGDUJXTLSK-GTPINHCMSA-N 2 2 345.553 1.758 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC12CCC(CC1)C2 ZINC000657071940 453662285 /nfs/dbraw/zinc/66/22/85/453662285.db2.gz WXZNPGDUJXTLSK-GTPINHCMSA-N 2 2 345.553 1.758 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000657090670 453674004 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CC[N@@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000677183657 487000996 /nfs/dbraw/zinc/00/09/96/487000996.db2.gz SZQZSDGZAVAQEZ-KRWDZBQOSA-N 2 2 344.503 1.600 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000677183657 487000999 /nfs/dbraw/zinc/00/09/99/487000999.db2.gz SZQZSDGZAVAQEZ-KRWDZBQOSA-N 2 2 344.503 1.600 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H]1C ZINC000677183657 487001003 /nfs/dbraw/zinc/00/10/03/487001003.db2.gz SZQZSDGZAVAQEZ-KRWDZBQOSA-N 2 2 344.503 1.600 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H]1C ZINC000677183657 487001008 /nfs/dbraw/zinc/00/10/08/487001008.db2.gz SZQZSDGZAVAQEZ-KRWDZBQOSA-N 2 2 344.503 1.600 20 0 EDADLP CC[N@@H+]1CCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000677196375 487007030 /nfs/dbraw/zinc/00/70/30/487007030.db2.gz SHMNTUXQIPPQOA-SJORKVTESA-N 2 2 345.491 1.145 20 0 EDADLP CC[N@H+]1CCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000677196375 487007033 /nfs/dbraw/zinc/00/70/33/487007033.db2.gz SHMNTUXQIPPQOA-SJORKVTESA-N 2 2 345.491 1.145 20 0 EDADLP CC(C)Oc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000677247712 487019568 /nfs/dbraw/zinc/01/95/68/487019568.db2.gz JIOYFQCYUBZIHN-HNNXBMFYSA-N 2 2 346.475 1.767 20 0 EDADLP CC(C)Oc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000677247712 487019572 /nfs/dbraw/zinc/01/95/72/487019572.db2.gz JIOYFQCYUBZIHN-HNNXBMFYSA-N 2 2 346.475 1.767 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515928 487038757 /nfs/dbraw/zinc/03/87/57/487038757.db2.gz FGUARWRPRKIGBA-SJORKVTESA-N 2 2 326.400 1.153 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673515928 487038763 /nfs/dbraw/zinc/03/87/63/487038763.db2.gz FGUARWRPRKIGBA-SJORKVTESA-N 2 2 326.400 1.153 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)[nH+]1 ZINC000678069853 487239341 /nfs/dbraw/zinc/23/93/41/487239341.db2.gz UKZHUHMMRFJVAE-CQSZACIVSA-N 2 2 328.420 1.185 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)[nH+]1 ZINC000678069853 487239345 /nfs/dbraw/zinc/23/93/45/487239345.db2.gz UKZHUHMMRFJVAE-CQSZACIVSA-N 2 2 328.420 1.185 20 0 EDADLP CCc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000674361842 487243424 /nfs/dbraw/zinc/24/34/24/487243424.db2.gz WCTNBLVYJSOKNK-HNNXBMFYSA-N 2 2 331.460 1.853 20 0 EDADLP CCc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000674361842 487243429 /nfs/dbraw/zinc/24/34/29/487243429.db2.gz WCTNBLVYJSOKNK-HNNXBMFYSA-N 2 2 331.460 1.853 20 0 EDADLP COC[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000674470819 487263947 /nfs/dbraw/zinc/26/39/47/487263947.db2.gz WFHGGMZRBGXKTH-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP COC[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000674470819 487263949 /nfs/dbraw/zinc/26/39/49/487263949.db2.gz WFHGGMZRBGXKTH-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000685790330 487324067 /nfs/dbraw/zinc/32/40/67/487324067.db2.gz SJOCOUDCRJXWQB-QAPCUYQASA-N 2 2 342.443 1.309 20 0 EDADLP C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685790330 487324070 /nfs/dbraw/zinc/32/40/70/487324070.db2.gz SJOCOUDCRJXWQB-QAPCUYQASA-N 2 2 342.443 1.309 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1)N1CCCC1 ZINC000682238095 487327855 /nfs/dbraw/zinc/32/78/55/487327855.db2.gz ZAVUVZQEQFLXHJ-UHFFFAOYSA-N 2 2 340.427 1.685 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@@H](Oc3cc[nH+]cc3)C1)C2 ZINC000685839405 487331445 /nfs/dbraw/zinc/33/14/45/487331445.db2.gz XDWACIDBLRKFSZ-RHSMWYFYSA-N 2 2 326.400 1.829 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000530484800 487348235 /nfs/dbraw/zinc/34/82/35/487348235.db2.gz XHRVHBKYCKNYGE-GOSISDBHSA-N 2 2 331.460 1.792 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000530484800 487348239 /nfs/dbraw/zinc/34/82/39/487348239.db2.gz XHRVHBKYCKNYGE-GOSISDBHSA-N 2 2 331.460 1.792 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675781792 487443696 /nfs/dbraw/zinc/44/36/96/487443696.db2.gz AVTABGARZJHCKB-MRXNPFEDSA-N 3 2 348.491 1.052 20 0 EDADLP C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000683145520 487454739 /nfs/dbraw/zinc/45/47/39/487454739.db2.gz ASDCFUGOMNWUQS-KXBFYZLASA-N 2 2 347.459 1.614 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])Oc1cccc(F)c1 ZINC000669524295 485493473 /nfs/dbraw/zinc/49/34/73/485493473.db2.gz NVVZQRHPXHIRRB-LSDHHAIUSA-N 2 2 338.427 1.267 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])Oc1cccc(F)c1 ZINC000669524295 485493480 /nfs/dbraw/zinc/49/34/80/485493480.db2.gz NVVZQRHPXHIRRB-LSDHHAIUSA-N 2 2 338.427 1.267 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)N1CCc2ccccc21 ZINC000670986337 485611456 /nfs/dbraw/zinc/61/14/56/485611456.db2.gz CKVMQQWZRLASEF-SFHVURJKSA-N 2 2 343.471 1.762 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)N1CCc2ccccc21 ZINC000670986337 485611458 /nfs/dbraw/zinc/61/14/58/485611458.db2.gz CKVMQQWZRLASEF-SFHVURJKSA-N 2 2 343.471 1.762 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCOCCF)CC2)CC1 ZINC000667392635 485981103 /nfs/dbraw/zinc/98/11/03/485981103.db2.gz XKFZGESEZNYKSX-UHFFFAOYSA-N 2 2 344.475 1.174 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCOCCF)CC2)CC1 ZINC000667392635 485981110 /nfs/dbraw/zinc/98/11/10/485981110.db2.gz XKFZGESEZNYKSX-UHFFFAOYSA-N 2 2 344.475 1.174 20 0 EDADLP O=C(C[NH2+]C[C@H]1CCCO1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000237941349 486019628 /nfs/dbraw/zinc/01/96/28/486019628.db2.gz HSLZVIMPGQABFA-QGZVFWFLSA-N 2 2 333.432 1.226 20 0 EDADLP [NH3+]Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)o1 ZINC000237998369 486023357 /nfs/dbraw/zinc/02/33/57/486023357.db2.gz FZEIGHAXUKWNBO-UHFFFAOYSA-N 2 2 329.400 1.865 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000675197560 486065815 /nfs/dbraw/zinc/06/58/15/486065815.db2.gz PARAFAJTUXCYIK-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1F ZINC000669684421 486068545 /nfs/dbraw/zinc/06/85/45/486068545.db2.gz UYJXQCITOGCKIE-CQSZACIVSA-N 2 2 346.406 1.849 20 0 EDADLP COCCOCc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739168 486107882 /nfs/dbraw/zinc/10/78/82/486107882.db2.gz JSWARCJWGVFAFM-HXUWFJFHSA-N 2 2 348.487 1.881 20 0 EDADLP COCCOCc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739168 486107889 /nfs/dbraw/zinc/10/78/89/486107889.db2.gz JSWARCJWGVFAFM-HXUWFJFHSA-N 2 2 348.487 1.881 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000669413056 486117059 /nfs/dbraw/zinc/11/70/59/486117059.db2.gz CZACNSUPLBINIH-CQSZACIVSA-N 2 2 331.395 1.953 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668758962 486159714 /nfs/dbraw/zinc/15/97/14/486159714.db2.gz OWDCYKLZZKMBKU-XUVXKRRUSA-N 2 2 329.488 1.960 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668758962 486159716 /nfs/dbraw/zinc/15/97/16/486159716.db2.gz OWDCYKLZZKMBKU-XUVXKRRUSA-N 2 2 329.488 1.960 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000672693920 486180220 /nfs/dbraw/zinc/18/02/20/486180220.db2.gz GYBBWBFFCMVEEP-OAHLLOKOSA-N 2 2 347.463 1.037 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000668156377 486180776 /nfs/dbraw/zinc/18/07/76/486180776.db2.gz OBCWCKFJLAHABM-OAHLLOKOSA-N 2 2 331.420 1.563 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669461653 486214813 /nfs/dbraw/zinc/21/48/13/486214813.db2.gz FZXKIDGJXYCMND-BRWVUGGUSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669461653 486214820 /nfs/dbraw/zinc/21/48/20/486214820.db2.gz FZXKIDGJXYCMND-BRWVUGGUSA-N 2 2 338.496 1.128 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000668846516 486255838 /nfs/dbraw/zinc/25/58/38/486255838.db2.gz RLURGIGRDMJNRY-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP O=C(NCC[NH2+]C1CC1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000668849465 486258205 /nfs/dbraw/zinc/25/82/05/486258205.db2.gz NNYPNCPOOMDSKX-KRWDZBQOSA-N 2 2 332.448 1.111 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000668873851 486285587 /nfs/dbraw/zinc/28/55/87/486285587.db2.gz IJATVNFMMUCXIE-HOTGVXAUSA-N 2 2 327.432 1.951 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000672209739 486602036 /nfs/dbraw/zinc/60/20/36/486602036.db2.gz GZNITUFEBOWVLY-GJZGRUSLSA-N 2 2 332.448 1.084 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670081196 486607644 /nfs/dbraw/zinc/60/76/44/486607644.db2.gz WTDCXMQWXULQES-CQSZACIVSA-N 2 2 347.463 1.287 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1c1ccccc1 ZINC000517240357 486634099 /nfs/dbraw/zinc/63/40/99/486634099.db2.gz FAWXXVDGKCUIRG-BBWFWOEESA-N 2 2 337.489 1.445 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1c1ccccc1 ZINC000517240357 486634100 /nfs/dbraw/zinc/63/41/00/486634100.db2.gz FAWXXVDGKCUIRG-BBWFWOEESA-N 2 2 337.489 1.445 20 0 EDADLP CN1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@@H](C[NH3+])C1 ZINC000162280674 486646554 /nfs/dbraw/zinc/64/65/54/486646554.db2.gz MAUQQMGMPUQZNN-HNNXBMFYSA-N 2 2 326.400 1.589 20 0 EDADLP O=S(=O)(NCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000125271833 491007684 /nfs/dbraw/zinc/00/76/84/491007684.db2.gz DXRRYIFIZINBHO-UHFFFAOYSA-N 2 2 346.456 1.182 20 0 EDADLP COc1cccc2c(N(C)C[C@H](O)C[NH+]3CCOCC3)cc(C)[nH+]c12 ZINC000129132994 533840238 /nfs/dbraw/zinc/84/02/38/533840238.db2.gz HZJZHWWMQMPBAC-HNNXBMFYSA-N 2 2 345.443 1.681 20 0 EDADLP C[C@@H](C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000187365155 534084852 /nfs/dbraw/zinc/08/48/52/534084852.db2.gz DCQPOTSAELNKMF-MJGOQNOKSA-N 2 2 345.487 1.388 20 0 EDADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181024275 534118296 /nfs/dbraw/zinc/11/82/96/534118296.db2.gz KEJRWJRGMRXCHN-VPWXQRGCSA-N 2 2 343.471 1.443 20 0 EDADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000181046304 534756036 /nfs/dbraw/zinc/75/60/36/534756036.db2.gz XMJCEHQQYUNGKH-QZTJIDSGSA-N 2 2 345.487 1.887 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000245702220 536455565 /nfs/dbraw/zinc/45/55/65/536455565.db2.gz ZMKZDFGQSLZPSR-ZACQAIPSSA-N 2 2 332.448 1.062 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000245702220 536455567 /nfs/dbraw/zinc/45/55/67/536455567.db2.gz ZMKZDFGQSLZPSR-ZACQAIPSSA-N 2 2 332.448 1.062 20 0 EDADLP C[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000245702220 536455569 /nfs/dbraw/zinc/45/55/69/536455569.db2.gz ZMKZDFGQSLZPSR-ZACQAIPSSA-N 2 2 332.448 1.062 20 0 EDADLP C[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000245702220 536455572 /nfs/dbraw/zinc/45/55/72/536455572.db2.gz ZMKZDFGQSLZPSR-ZACQAIPSSA-N 2 2 332.448 1.062 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159036016 528107976 /nfs/dbraw/zinc/10/79/76/528107976.db2.gz GUHIZDYBGWGHIJ-UHFFFAOYSA-N 2 2 333.480 1.641 20 0 EDADLP CC1CC[NH+](CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000154537310 528227911 /nfs/dbraw/zinc/22/79/11/528227911.db2.gz CAJMZVAEAJAHAE-DFNIBXOVSA-N 3 2 348.535 1.488 20 0 EDADLP CC1CC[NH+](CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000154537310 528227917 /nfs/dbraw/zinc/22/79/17/528227917.db2.gz CAJMZVAEAJAHAE-DFNIBXOVSA-N 3 2 348.535 1.488 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174887054 528879062 /nfs/dbraw/zinc/87/90/62/528879062.db2.gz WLQBNZRTDDLIRD-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174887054 528879075 /nfs/dbraw/zinc/87/90/75/528879075.db2.gz WLQBNZRTDDLIRD-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246997093 535233068 /nfs/dbraw/zinc/23/30/68/535233068.db2.gz HYJKMODCIHNXLA-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246997093 535233071 /nfs/dbraw/zinc/23/30/71/535233071.db2.gz HYJKMODCIHNXLA-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246997093 535233074 /nfs/dbraw/zinc/23/30/74/535233074.db2.gz HYJKMODCIHNXLA-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246997093 535233078 /nfs/dbraw/zinc/23/30/78/535233078.db2.gz HYJKMODCIHNXLA-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093742287 535263853 /nfs/dbraw/zinc/26/38/53/535263853.db2.gz FDIXKXDUJVSUDI-KRWDZBQOSA-N 3 2 346.523 1.392 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093742287 535263856 /nfs/dbraw/zinc/26/38/56/535263856.db2.gz FDIXKXDUJVSUDI-KRWDZBQOSA-N 3 2 346.523 1.392 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093742287 535263860 /nfs/dbraw/zinc/26/38/60/535263860.db2.gz FDIXKXDUJVSUDI-KRWDZBQOSA-N 3 2 346.523 1.392 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093742287 535263861 /nfs/dbraw/zinc/26/38/61/535263861.db2.gz FDIXKXDUJVSUDI-KRWDZBQOSA-N 3 2 346.523 1.392 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352900133 535331699 /nfs/dbraw/zinc/33/16/99/535331699.db2.gz MFIKRXGXEJWVLY-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352900133 535331702 /nfs/dbraw/zinc/33/17/02/535331702.db2.gz MFIKRXGXEJWVLY-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000243085917 535678082 /nfs/dbraw/zinc/67/80/82/535678082.db2.gz ITMHQLUAYNRXLK-UHFFFAOYSA-N 2 2 344.503 1.358 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000243085917 535678085 /nfs/dbraw/zinc/67/80/85/535678085.db2.gz ITMHQLUAYNRXLK-UHFFFAOYSA-N 2 2 344.503 1.358 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262453048 535702112 /nfs/dbraw/zinc/70/21/12/535702112.db2.gz WETYBTQWKOZYCU-KRWDZBQOSA-N 2 2 346.475 1.525 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCC3CCCCC3)C2)CC1 ZINC000107369819 535733968 /nfs/dbraw/zinc/73/39/68/535733968.db2.gz UFKACUOAIDZQHO-GOSISDBHSA-N 2 2 336.524 1.395 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCC3CCCCC3)C2)CC1 ZINC000107369819 535733973 /nfs/dbraw/zinc/73/39/73/535733973.db2.gz UFKACUOAIDZQHO-GOSISDBHSA-N 2 2 336.524 1.395 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCCC3=CCCCC3)C2)CC1 ZINC000107372371 535735257 /nfs/dbraw/zinc/73/52/57/535735257.db2.gz OUSLQKOKVUFESK-LJQANCHMSA-N 2 2 348.535 1.705 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCCC3=CCCCC3)C2)CC1 ZINC000107372371 535735262 /nfs/dbraw/zinc/73/52/62/535735262.db2.gz OUSLQKOKVUFESK-LJQANCHMSA-N 2 2 348.535 1.705 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CCCCC3)C2)CC1 ZINC000246214081 535736730 /nfs/dbraw/zinc/73/67/30/535736730.db2.gz YIZJTSNJAGPDEJ-SJLPKXTDSA-N 2 2 336.524 1.536 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CCCCC3)C2)CC1 ZINC000246214081 535736737 /nfs/dbraw/zinc/73/67/37/535736737.db2.gz YIZJTSNJAGPDEJ-SJLPKXTDSA-N 2 2 336.524 1.536 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000086171557 535764931 /nfs/dbraw/zinc/76/49/31/535764931.db2.gz OFJYLWKYQDNKGB-KRWDZBQOSA-N 2 2 333.432 1.178 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000086171557 535764932 /nfs/dbraw/zinc/76/49/32/535764932.db2.gz OFJYLWKYQDNKGB-KRWDZBQOSA-N 2 2 333.432 1.178 20 0 EDADLP CC[C@@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)c1c(C)nn(C)c1C ZINC000347993028 535807797 /nfs/dbraw/zinc/80/77/97/535807797.db2.gz DTCHHDIHIJNDPB-GOEBONIOSA-N 2 2 335.496 1.630 20 0 EDADLP C[NH+](C)CCOc1cnccc1CNC(=O)NCCCn1cc[nH+]c1 ZINC000345273482 535917723 /nfs/dbraw/zinc/91/77/23/535917723.db2.gz DHQOOQGLOMQXOJ-UHFFFAOYSA-N 2 2 346.435 1.108 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000236928012 535955387 /nfs/dbraw/zinc/95/53/87/535955387.db2.gz QDMUYRZCBPKJPD-YJBOKZPZSA-N 2 2 348.491 1.625 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)C1CCOCC1 ZINC000333804084 536125002 /nfs/dbraw/zinc/12/50/02/536125002.db2.gz ONNWJBPUFCMDBI-OAHLLOKOSA-N 2 2 349.479 1.764 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)OCCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000741145216 579398982 /nfs/dbraw/zinc/39/89/82/579398982.db2.gz PPGMVNWBGPGZMY-GASCZTMLSA-N 2 2 326.437 1.432 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)OCCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000741145216 579398984 /nfs/dbraw/zinc/39/89/84/579398984.db2.gz PPGMVNWBGPGZMY-GASCZTMLSA-N 2 2 326.437 1.432 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OCCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741145216 579398985 /nfs/dbraw/zinc/39/89/85/579398985.db2.gz PPGMVNWBGPGZMY-GASCZTMLSA-N 2 2 326.437 1.432 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OCCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741145216 579398987 /nfs/dbraw/zinc/39/89/87/579398987.db2.gz PPGMVNWBGPGZMY-GASCZTMLSA-N 2 2 326.437 1.432 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCOC3CCC3)CC2)CC1 ZINC000743588833 579484787 /nfs/dbraw/zinc/48/47/87/579484787.db2.gz LMAZTHBWANNDIQ-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1CCOCC1(C)C ZINC000728229481 578545078 /nfs/dbraw/zinc/54/50/78/578545078.db2.gz POGSAZLWRSBTCS-CQSZACIVSA-N 2 2 328.526 1.046 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1CCOCC1(C)C ZINC000728229481 578545079 /nfs/dbraw/zinc/54/50/79/578545079.db2.gz POGSAZLWRSBTCS-CQSZACIVSA-N 2 2 328.526 1.046 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=S)NCC[N@@H+]1CCOCC1(C)C ZINC000728229481 578545080 /nfs/dbraw/zinc/54/50/80/578545080.db2.gz POGSAZLWRSBTCS-CQSZACIVSA-N 2 2 328.526 1.046 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=S)NCC[N@H+]1CCOCC1(C)C ZINC000728229481 578545081 /nfs/dbraw/zinc/54/50/81/578545081.db2.gz POGSAZLWRSBTCS-CQSZACIVSA-N 2 2 328.526 1.046 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000728387874 578547280 /nfs/dbraw/zinc/54/72/80/578547280.db2.gz JDBYFRCUDHVZJQ-SFHVURJKSA-N 2 2 333.476 1.667 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000728387874 578547281 /nfs/dbraw/zinc/54/72/81/578547281.db2.gz JDBYFRCUDHVZJQ-SFHVURJKSA-N 2 2 333.476 1.667 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000728593354 578549303 /nfs/dbraw/zinc/54/93/03/578549303.db2.gz VJPXZUAWWMBLLH-UHFFFAOYSA-N 2 2 328.420 1.494 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000729922284 578600421 /nfs/dbraw/zinc/60/04/21/578600421.db2.gz LTRHAVIMKWYGEW-UHFFFAOYSA-N 2 2 344.463 1.440 20 0 EDADLP Cc1ccc(OCC[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000729928711 578604054 /nfs/dbraw/zinc/60/40/54/578604054.db2.gz XUJVXGPVYCIDLC-ICSRJNTNSA-N 2 2 347.503 1.711 20 0 EDADLP Cc1ccc(OCC[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000729928711 578604055 /nfs/dbraw/zinc/60/40/55/578604055.db2.gz XUJVXGPVYCIDLC-ICSRJNTNSA-N 2 2 347.503 1.711 20 0 EDADLP Cc1ccc(OCC[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000729928711 578604057 /nfs/dbraw/zinc/60/40/57/578604057.db2.gz XUJVXGPVYCIDLC-ICSRJNTNSA-N 2 2 347.503 1.711 20 0 EDADLP Cc1ccc(OCC[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000729928711 578604059 /nfs/dbraw/zinc/60/40/59/578604059.db2.gz XUJVXGPVYCIDLC-ICSRJNTNSA-N 2 2 347.503 1.711 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCCc3sccc3C1)C2=O ZINC000730456458 578648607 /nfs/dbraw/zinc/64/86/07/578648607.db2.gz ATKHGPNHSXFMGR-UHFFFAOYSA-N 2 2 348.472 1.470 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCCc3sccc3C1)C2=O ZINC000730456458 578648608 /nfs/dbraw/zinc/64/86/08/578648608.db2.gz ATKHGPNHSXFMGR-UHFFFAOYSA-N 2 2 348.472 1.470 20 0 EDADLP COc1cccc([C@H]2CC(=O)N(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)C2)c1 ZINC000760532134 580032995 /nfs/dbraw/zinc/03/29/95/580032995.db2.gz MZRHLIYJYYNFDQ-RDJZCZTQSA-N 2 2 331.460 1.852 20 0 EDADLP COc1cccc([C@H]2CC(=O)N(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)C2)c1 ZINC000760532134 580032996 /nfs/dbraw/zinc/03/29/96/580032996.db2.gz MZRHLIYJYYNFDQ-RDJZCZTQSA-N 2 2 331.460 1.852 20 0 EDADLP c1cc(CNc2nc(N3CCCC3)cc[nH+]2)cc(N2CCOCC2)[nH+]1 ZINC000733188115 578751102 /nfs/dbraw/zinc/75/11/02/578751102.db2.gz YUCWEAGUNNXYJH-UHFFFAOYSA-N 2 2 340.431 1.921 20 0 EDADLP C[N@@H+](Cc1cnn[nH]1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000734751525 578835431 /nfs/dbraw/zinc/83/54/31/578835431.db2.gz TZTRAXYFFMETKP-SFHVURJKSA-N 2 2 329.448 1.682 20 0 EDADLP C[N@H+](Cc1cnn[nH]1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000734751525 578835432 /nfs/dbraw/zinc/83/54/32/578835432.db2.gz TZTRAXYFFMETKP-SFHVURJKSA-N 2 2 329.448 1.682 20 0 EDADLP C[N@@H+](Cc1c[nH]nn1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000734751525 578835433 /nfs/dbraw/zinc/83/54/33/578835433.db2.gz TZTRAXYFFMETKP-SFHVURJKSA-N 2 2 329.448 1.682 20 0 EDADLP C[N@H+](Cc1c[nH]nn1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000734751525 578835434 /nfs/dbraw/zinc/83/54/34/578835434.db2.gz TZTRAXYFFMETKP-SFHVURJKSA-N 2 2 329.448 1.682 20 0 EDADLP C[N@@H+](Cc1cn[nH]n1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000734751525 578835435 /nfs/dbraw/zinc/83/54/35/578835435.db2.gz TZTRAXYFFMETKP-SFHVURJKSA-N 2 2 329.448 1.682 20 0 EDADLP C[N@H+](Cc1cn[nH]n1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000734751525 578835436 /nfs/dbraw/zinc/83/54/36/578835436.db2.gz TZTRAXYFFMETKP-SFHVURJKSA-N 2 2 329.448 1.682 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)[C@@H]4[C@@H]5CCC[C@H]5CN4C3=O)C2)CC1 ZINC000761307205 580054521 /nfs/dbraw/zinc/05/45/21/580054521.db2.gz YEYQKOOPNAGCOT-LLLHUVSDSA-N 2 2 346.475 1.218 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)[C@@H]4[C@@H]5CCC[C@H]5CN4C3=O)C2)CC1 ZINC000761307205 580054522 /nfs/dbraw/zinc/05/45/22/580054522.db2.gz YEYQKOOPNAGCOT-LLLHUVSDSA-N 2 2 346.475 1.218 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000746418052 579592856 /nfs/dbraw/zinc/59/28/56/579592856.db2.gz VPTWNQGCEVCWSD-RDJZCZTQSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000746418052 579592857 /nfs/dbraw/zinc/59/28/57/579592857.db2.gz VPTWNQGCEVCWSD-RDJZCZTQSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000746418052 579592859 /nfs/dbraw/zinc/59/28/59/579592859.db2.gz VPTWNQGCEVCWSD-RDJZCZTQSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000746418052 579592861 /nfs/dbraw/zinc/59/28/61/579592861.db2.gz VPTWNQGCEVCWSD-RDJZCZTQSA-N 2 2 338.496 1.080 20 0 EDADLP CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)NC(=O)N[C@@H]1C ZINC000746453735 579594978 /nfs/dbraw/zinc/59/49/78/579594978.db2.gz KOPICJTUYXVVCC-NEPJUHHUSA-N 2 2 347.419 1.108 20 0 EDADLP CCOC(=O)C1=C(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)NC(=O)N[C@@H]1C ZINC000746453735 579594979 /nfs/dbraw/zinc/59/49/79/579594979.db2.gz KOPICJTUYXVVCC-NEPJUHHUSA-N 2 2 347.419 1.108 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000746651920 579605145 /nfs/dbraw/zinc/60/51/45/579605145.db2.gz ZQLMJVJXWXDQBC-MSOLQXFVSA-N 2 2 336.524 1.395 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000749207879 579716829 /nfs/dbraw/zinc/71/68/29/579716829.db2.gz NPGOCEUITPNBRS-JKSUJKDBSA-N 2 2 340.431 1.693 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000749207879 579716830 /nfs/dbraw/zinc/71/68/30/579716830.db2.gz NPGOCEUITPNBRS-JKSUJKDBSA-N 2 2 340.431 1.693 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000749346282 579722438 /nfs/dbraw/zinc/72/24/38/579722438.db2.gz LQDUAKCUPWSMMD-GOSISDBHSA-N 2 2 340.471 1.814 20 0 EDADLP O=C1CC2(CN1C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)CCOCC2 ZINC000753100272 579872629 /nfs/dbraw/zinc/87/26/29/579872629.db2.gz LELJEAHEFPMYQL-QGZVFWFLSA-N 2 2 335.492 1.923 20 0 EDADLP O=C1CC2(CN1C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)CCOCC2 ZINC000753100272 579872630 /nfs/dbraw/zinc/87/26/30/579872630.db2.gz LELJEAHEFPMYQL-QGZVFWFLSA-N 2 2 335.492 1.923 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000758443460 579982682 /nfs/dbraw/zinc/98/26/82/579982682.db2.gz VQVNLLMTGGBBPI-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000758443460 579982683 /nfs/dbraw/zinc/98/26/83/579982683.db2.gz VQVNLLMTGGBBPI-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000758922023 579994624 /nfs/dbraw/zinc/99/46/24/579994624.db2.gz IMXJIYNVXYQITM-HNNXBMFYSA-N 2 2 348.520 1.266 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000758922023 579994625 /nfs/dbraw/zinc/99/46/25/579994625.db2.gz IMXJIYNVXYQITM-HNNXBMFYSA-N 2 2 348.520 1.266 20 0 EDADLP Cn1cc([C@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cn1 ZINC000766184176 580161155 /nfs/dbraw/zinc/16/11/55/580161155.db2.gz OBEVNRGLQJPGEK-LJQANCHMSA-N 2 2 343.475 1.778 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000767458181 580190347 /nfs/dbraw/zinc/19/03/47/580190347.db2.gz PGROAJFFUBSNLG-ZWKOTPCHSA-N 2 2 331.460 1.443 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000767458181 580190348 /nfs/dbraw/zinc/19/03/48/580190348.db2.gz PGROAJFFUBSNLG-ZWKOTPCHSA-N 2 2 331.460 1.443 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCCC(C)(C)C2)CCO1 ZINC000770478216 580261799 /nfs/dbraw/zinc/26/17/99/580261799.db2.gz XJSCKXFRGGGISW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCCC(C)(C)C2)CCO1 ZINC000770478216 580261800 /nfs/dbraw/zinc/26/18/00/580261800.db2.gz XJSCKXFRGGGISW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC000770478216 580261801 /nfs/dbraw/zinc/26/18/01/580261801.db2.gz XJSCKXFRGGGISW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC000770478216 580261802 /nfs/dbraw/zinc/26/18/02/580261802.db2.gz XJSCKXFRGGGISW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCCC3)ccc2[nH+]1 ZINC000774155573 580355288 /nfs/dbraw/zinc/35/52/88/580355288.db2.gz WBQMGWGTQYHCGU-CQSZACIVSA-N 2 2 343.431 1.572 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CSCCS2)CC1 ZINC000775631834 580395724 /nfs/dbraw/zinc/39/57/24/580395724.db2.gz MYULWGDHCMHJNO-CQSZACIVSA-N 2 2 332.535 1.842 20 0 EDADLP C[C@H](O)c1cn(C2C[NH+](Cc3ccc(OCC[NH+](C)C)cc3)C2)nn1 ZINC000779614992 580491446 /nfs/dbraw/zinc/49/14/46/580491446.db2.gz YEYBYXYMADXJDS-AWEZNQCLSA-N 2 2 345.447 1.329 20 0 EDADLP CC[C@@H](C(=O)O[C@@H](C)C(=O)N1CC[NH+](CC)CC1)[NH+](CC)CC ZINC000783782816 580606205 /nfs/dbraw/zinc/60/62/05/580606205.db2.gz JWTPFWDZJABNNA-GJZGRUSLSA-N 2 2 327.469 1.203 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000783989690 580610481 /nfs/dbraw/zinc/61/04/81/580610481.db2.gz HSXRPEDALFSWKR-MRXNPFEDSA-N 2 2 339.443 1.968 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000783993277 580610985 /nfs/dbraw/zinc/61/09/85/580610985.db2.gz FZVSDDBNWSVQJP-BZUAXINKSA-N 2 2 331.464 1.110 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000783993277 580610986 /nfs/dbraw/zinc/61/09/86/580610986.db2.gz FZVSDDBNWSVQJP-BZUAXINKSA-N 2 2 331.464 1.110 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000783994341 580611058 /nfs/dbraw/zinc/61/10/58/580611058.db2.gz HXLAHCDTEIDYLY-IRXDYDNUSA-N 2 2 345.491 1.357 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000783994341 580611059 /nfs/dbraw/zinc/61/10/59/580611059.db2.gz HXLAHCDTEIDYLY-IRXDYDNUSA-N 2 2 345.491 1.357 20 0 EDADLP CN(C(=O)c1cnc(Cl)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787899781 580708589 /nfs/dbraw/zinc/70/85/89/580708589.db2.gz HSBZRVREVKPZHY-ZDUSSCGKSA-N 2 2 337.855 1.371 20 0 EDADLP CN(C(=O)c1cnc(Cl)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787899781 580708590 /nfs/dbraw/zinc/70/85/90/580708590.db2.gz HSBZRVREVKPZHY-ZDUSSCGKSA-N 2 2 337.855 1.371 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@H](OC(F)F)C1)C[NH+]1CCC2CC1 ZINC000790375961 580767890 /nfs/dbraw/zinc/76/78/90/580767890.db2.gz TXLLVNBALQXQHQ-XJKSGUPXSA-N 2 2 345.390 1.564 20 0 EDADLP CCn1ccc(C[N@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)c1 ZINC000790385550 580768092 /nfs/dbraw/zinc/76/80/92/580768092.db2.gz JNRCQYKNAUEXJZ-SFHVURJKSA-N 2 2 332.448 1.814 20 0 EDADLP CCn1ccc(C[N@@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)c1 ZINC000790385550 580768093 /nfs/dbraw/zinc/76/80/93/580768093.db2.gz JNRCQYKNAUEXJZ-SFHVURJKSA-N 2 2 332.448 1.814 20 0 EDADLP C[N@H+](CC(=O)OCc1c[nH+]cn1CC(F)(F)F)[C@H]1CCSC1 ZINC000797109315 580968328 /nfs/dbraw/zinc/96/83/28/580968328.db2.gz KOKXYMFCYGQHLN-JTQLQIEISA-N 2 2 337.367 1.926 20 0 EDADLP C[N@@H+](CC(=O)OCc1c[nH+]cn1CC(F)(F)F)[C@H]1CCSC1 ZINC000797109315 580968329 /nfs/dbraw/zinc/96/83/29/580968329.db2.gz KOKXYMFCYGQHLN-JTQLQIEISA-N 2 2 337.367 1.926 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](c3ccccn3)C2)CC1 ZINC000798444838 580997636 /nfs/dbraw/zinc/99/76/36/580997636.db2.gz AHBAVIFTCNFXNL-MRXNPFEDSA-N 2 2 345.491 1.607 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCC(C[NH+]3CCCC3)CC2)nc[nH+]1 ZINC000891871723 590664507 /nfs/dbraw/zinc/66/45/07/590664507.db2.gz BTXKYGVCGMXYAR-INIZCTEOSA-N 2 2 333.480 1.972 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]cn1 ZINC000891871723 590664509 /nfs/dbraw/zinc/66/45/09/590664509.db2.gz BTXKYGVCGMXYAR-INIZCTEOSA-N 2 2 333.480 1.972 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC3CC[NH2+]CC3)C2)c1 ZINC000891961375 590710051 /nfs/dbraw/zinc/71/00/51/590710051.db2.gz MYGSFAABKVGHLM-SFHVURJKSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC3CC[NH2+]CC3)C2)c1 ZINC000891961375 590710053 /nfs/dbraw/zinc/71/00/53/590710053.db2.gz MYGSFAABKVGHLM-SFHVURJKSA-N 2 2 346.475 1.247 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000893209878 590711125 /nfs/dbraw/zinc/71/11/25/590711125.db2.gz JOTRBCFUQCVCSR-MRXNPFEDSA-N 2 2 341.496 1.726 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892001629 590737967 /nfs/dbraw/zinc/73/79/67/590737967.db2.gz WMIRMOLDIHOSBM-RDJZCZTQSA-N 2 2 327.432 1.923 20 0 EDADLP CC1(C)CC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)[NH2+]C1 ZINC000892391696 591007721 /nfs/dbraw/zinc/00/77/21/591007721.db2.gz IZVFQJWZIMMLCH-HZPDHXFCSA-N 2 2 338.496 1.271 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000892431933 591026113 /nfs/dbraw/zinc/02/61/13/591026113.db2.gz GKTHZMFQRPZECJ-HNNXBMFYSA-N 2 2 327.469 1.744 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000892489852 591046706 /nfs/dbraw/zinc/04/67/06/591046706.db2.gz MVUIMIWFZAVFKM-JKSUJKDBSA-N 2 2 338.496 1.271 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891349621 591054213 /nfs/dbraw/zinc/05/42/13/591054213.db2.gz ZLEIJZLCPASBGZ-NWDGAFQWSA-N 2 2 345.369 1.426 20 0 EDADLP C[C@@H](NC(=O)N(C)C1(C[NH3+])CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000891518342 591104210 /nfs/dbraw/zinc/10/42/10/591104210.db2.gz QKTNEJKKICDUHJ-HUUCEWRRSA-N 2 2 326.485 1.399 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000891608969 591148930 /nfs/dbraw/zinc/14/89/30/591148930.db2.gz ZONXHHYMHWHXEF-UHFFFAOYSA-N 2 2 343.431 1.252 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[NH+](CCOC(C)C)CC2)nc[nH+]1 ZINC000892764971 591166336 /nfs/dbraw/zinc/16/63/36/591166336.db2.gz QJVUZWYFDTVSFY-HNNXBMFYSA-N 2 2 337.468 1.206 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3C[NH2+]CCC3(F)F)cn21 ZINC000891758026 591213994 /nfs/dbraw/zinc/21/39/94/591213994.db2.gz BSLXMZYHLRGPNV-LBPRGKRZSA-N 2 2 337.374 1.687 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc3n2CCOC3)CC1 ZINC000894182759 591218997 /nfs/dbraw/zinc/21/89/97/591218997.db2.gz TZDUMLLJXKSCIB-UHFFFAOYSA-N 2 2 329.404 1.139 20 0 EDADLP O=C(CC[NH2+]Cc1c[nH+]c[nH]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000894210747 591231917 /nfs/dbraw/zinc/23/19/17/591231917.db2.gz GPICFFOEJPIEIN-UHFFFAOYSA-N 2 2 331.395 1.377 20 0 EDADLP CO[C@@](C)(C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000895685986 591248846 /nfs/dbraw/zinc/24/88/46/591248846.db2.gz PEGXQUWVBNDDGF-MSOLQXFVSA-N 2 2 325.497 1.188 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000893001965 591251844 /nfs/dbraw/zinc/25/18/44/591251844.db2.gz QYGBCHDQFHVNLH-KRWDZBQOSA-N 2 2 327.432 1.884 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2I)CC[N@@H+]1C ZINC000894313970 591275541 /nfs/dbraw/zinc/27/55/41/591275541.db2.gz ZCFXCGRHSGRDLH-GXSJLCMTSA-N 2 2 348.232 1.597 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2I)CC[N@H+]1C ZINC000894313970 591275542 /nfs/dbraw/zinc/27/55/42/591275542.db2.gz ZCFXCGRHSGRDLH-GXSJLCMTSA-N 2 2 348.232 1.597 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000895848956 591287291 /nfs/dbraw/zinc/28/72/91/591287291.db2.gz RUDPXBPKYDJFMW-PBHICJAKSA-N 2 2 341.521 1.183 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000895848956 591287292 /nfs/dbraw/zinc/28/72/92/591287292.db2.gz RUDPXBPKYDJFMW-PBHICJAKSA-N 2 2 341.521 1.183 20 0 EDADLP CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894382522 591296787 /nfs/dbraw/zinc/29/67/87/591296787.db2.gz UYCPQILIGFKDRC-SNVBAGLBSA-N 2 2 343.374 1.684 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000894517715 591331459 /nfs/dbraw/zinc/33/14/59/591331459.db2.gz PABHOVUOILXSJC-MRXNPFEDSA-N 2 2 327.432 1.741 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000894517715 591331463 /nfs/dbraw/zinc/33/14/63/591331463.db2.gz PABHOVUOILXSJC-MRXNPFEDSA-N 2 2 327.432 1.741 20 0 EDADLP c1[nH+]cn2c1CC[C@H](c1nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no1)C2 ZINC000896162137 591366138 /nfs/dbraw/zinc/36/61/38/591366138.db2.gz BCTQMAASYSSUJB-AEGPPILISA-N 2 2 329.404 1.922 20 0 EDADLP c1[nH+]cn2c1CC[C@H](c1nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)C2 ZINC000896162137 591366143 /nfs/dbraw/zinc/36/61/43/591366143.db2.gz BCTQMAASYSSUJB-AEGPPILISA-N 2 2 329.404 1.922 20 0 EDADLP C/C(=C/C(=O)N1CC[NH2+][C@H](c2ccccc2)C1)C[NH+]1CCOCC1 ZINC000909412399 591446086 /nfs/dbraw/zinc/44/60/86/591446086.db2.gz SGFFINKEDHVYFT-ZUTYSQTGSA-N 2 2 329.444 1.438 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000897474509 591478265 /nfs/dbraw/zinc/47/82/65/591478265.db2.gz UPCGYHCIDWHMJY-MRXNPFEDSA-N 2 2 331.464 1.393 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000897474509 591478268 /nfs/dbraw/zinc/47/82/68/591478268.db2.gz UPCGYHCIDWHMJY-MRXNPFEDSA-N 2 2 331.464 1.393 20 0 EDADLP C[NH+](C)CC1(O)CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000894956007 591490983 /nfs/dbraw/zinc/49/09/83/591490983.db2.gz NEMHTZSPKOJOKN-UHFFFAOYSA-N 2 2 332.452 1.474 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H]1CN(C)CC[NH+]1C ZINC000896536061 591501152 /nfs/dbraw/zinc/50/11/52/591501152.db2.gz USBCWQOMXGCLQN-OQIJWPOYSA-N 2 2 344.503 1.430 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H]1CN(C)CC[NH+]1C ZINC000896536061 591501154 /nfs/dbraw/zinc/50/11/54/591501154.db2.gz USBCWQOMXGCLQN-OQIJWPOYSA-N 2 2 344.503 1.430 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896536061 591501156 /nfs/dbraw/zinc/50/11/56/591501156.db2.gz USBCWQOMXGCLQN-OQIJWPOYSA-N 2 2 344.503 1.430 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896536061 591501157 /nfs/dbraw/zinc/50/11/57/591501157.db2.gz USBCWQOMXGCLQN-OQIJWPOYSA-N 2 2 344.503 1.430 20 0 EDADLP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896539364 591502750 /nfs/dbraw/zinc/50/27/50/591502750.db2.gz NGYOBAHJJIUYSF-CRAIPNDOSA-N 2 2 332.492 1.155 20 0 EDADLP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896539364 591502753 /nfs/dbraw/zinc/50/27/53/591502753.db2.gz NGYOBAHJJIUYSF-CRAIPNDOSA-N 2 2 332.492 1.155 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CN(C)CC[NH+]1C ZINC000896556731 591521808 /nfs/dbraw/zinc/52/18/08/591521808.db2.gz QJIVDPYZRBLYNE-XYJFISCASA-N 2 2 336.524 1.392 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CN(C)CC[NH+]1C ZINC000896556731 591521812 /nfs/dbraw/zinc/52/18/12/591521812.db2.gz QJIVDPYZRBLYNE-XYJFISCASA-N 2 2 336.524 1.392 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896556731 591521815 /nfs/dbraw/zinc/52/18/15/591521815.db2.gz QJIVDPYZRBLYNE-XYJFISCASA-N 2 2 336.524 1.392 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CN(C)CC[N@H+]1C ZINC000896556731 591521818 /nfs/dbraw/zinc/52/18/18/591521818.db2.gz QJIVDPYZRBLYNE-XYJFISCASA-N 2 2 336.524 1.392 20 0 EDADLP CC[C@H](CO)Nc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)nc[nH+]1 ZINC000895036510 591530769 /nfs/dbraw/zinc/53/07/69/591530769.db2.gz VRRGUORYXONJMT-OAHLLOKOSA-N 2 2 349.479 1.208 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000897584075 591568025 /nfs/dbraw/zinc/56/80/25/591568025.db2.gz ZPBYJUQMOGGJRQ-CJNGLKHVSA-N 2 2 342.447 1.930 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000897584075 591568028 /nfs/dbraw/zinc/56/80/28/591568028.db2.gz ZPBYJUQMOGGJRQ-CJNGLKHVSA-N 2 2 342.447 1.930 20 0 EDADLP Cc1ccc(CCC[NH2+]CC2(O)CN(C(=O)OC(C)(C)C)C2)c[nH+]1 ZINC000895207001 591656981 /nfs/dbraw/zinc/65/69/81/591656981.db2.gz IBCROPBGGHGVMC-UHFFFAOYSA-N 2 2 335.448 1.894 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000895275006 591695752 /nfs/dbraw/zinc/69/57/52/591695752.db2.gz QRGBVDOFSKBWAH-CQSZACIVSA-N 2 2 349.398 1.408 20 0 EDADLP C[C@H]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000896980624 591700068 /nfs/dbraw/zinc/70/00/68/591700068.db2.gz NEZVTDWODQWKEX-YOEHRIQHSA-N 2 2 332.448 1.403 20 0 EDADLP COCC[N@@H+](Cc1ncc(C(=O)OC)s1)CC1CC[NH+](C)CC1 ZINC000895417045 591750539 /nfs/dbraw/zinc/75/05/39/591750539.db2.gz MOCZROARFDFVBY-UHFFFAOYSA-N 2 2 341.477 1.720 20 0 EDADLP COCC[N@H+](Cc1ncc(C(=O)OC)s1)CC1CC[NH+](C)CC1 ZINC000895417045 591750542 /nfs/dbraw/zinc/75/05/42/591750542.db2.gz MOCZROARFDFVBY-UHFFFAOYSA-N 2 2 341.477 1.720 20 0 EDADLP CCOC(=O)c1ncc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000895435558 591754571 /nfs/dbraw/zinc/75/45/71/591754571.db2.gz INFRTOQDZNPSFE-ZDUSSCGKSA-N 2 2 339.461 1.663 20 0 EDADLP OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1cc[nH+]cc1Br ZINC000897218263 591772649 /nfs/dbraw/zinc/77/26/49/591772649.db2.gz BVWCFMDFYHDAGU-KGLIPLIRSA-N 2 2 326.238 1.880 20 0 EDADLP OCC[N@H+]1CCC[C@H]2[C@H]1CCN2c1cc[nH+]cc1Br ZINC000897218263 591772651 /nfs/dbraw/zinc/77/26/51/591772651.db2.gz BVWCFMDFYHDAGU-KGLIPLIRSA-N 2 2 326.238 1.880 20 0 EDADLP [NH3+][C@@H]1c2ccccc2C[C@H]1Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000900019726 591870270 /nfs/dbraw/zinc/87/02/70/591870270.db2.gz FTVMSRLEXGMGFA-IDHHARJASA-N 2 2 339.443 1.864 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000900116014 591904650 /nfs/dbraw/zinc/90/46/50/591904650.db2.gz ZQPXEVAOKXBUEC-GOSISDBHSA-N 2 2 332.448 1.145 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000900116014 591904652 /nfs/dbraw/zinc/90/46/52/591904652.db2.gz ZQPXEVAOKXBUEC-GOSISDBHSA-N 2 2 332.448 1.145 20 0 EDADLP CCNc1ccccc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000902255216 591954998 /nfs/dbraw/zinc/95/49/98/591954998.db2.gz HRNOUXOQENFKEE-KRWDZBQOSA-N 2 2 346.475 1.141 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c[nH+]1 ZINC000900229116 591956673 /nfs/dbraw/zinc/95/66/73/591956673.db2.gz JLWYGFJXHIMIMR-SFHVURJKSA-N 2 2 334.464 1.391 20 0 EDADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000902245324 591958372 /nfs/dbraw/zinc/95/83/72/591958372.db2.gz PKCFFUAGBDMDFR-GOSISDBHSA-N 2 2 332.492 1.533 20 0 EDADLP [NH2+]=C(NOCc1nncs1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000902323940 591978813 /nfs/dbraw/zinc/97/88/13/591978813.db2.gz INYCGVFULCENIB-CYBMUJFWSA-N 2 2 333.417 1.438 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000902363863 591986843 /nfs/dbraw/zinc/98/68/43/591986843.db2.gz NZQXYKFSFDUQOA-OALUTQOASA-N 3 2 331.504 1.773 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000902363863 591986844 /nfs/dbraw/zinc/98/68/44/591986844.db2.gz NZQXYKFSFDUQOA-OALUTQOASA-N 3 2 331.504 1.773 20 0 EDADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000902417208 591992028 /nfs/dbraw/zinc/99/20/28/591992028.db2.gz XVDTYZYYIISXPL-ZDUSSCGKSA-N 2 2 349.456 1.900 20 0 EDADLP [NH3+]C[C@H]1CC2(CO1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC000900364407 591997660 /nfs/dbraw/zinc/99/76/60/591997660.db2.gz SXJPQGQXQJPNAF-OAHLLOKOSA-N 2 2 331.464 1.801 20 0 EDADLP [NH3+]C[C@H]1CC2(CO1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC000900364407 591997661 /nfs/dbraw/zinc/99/76/61/591997661.db2.gz SXJPQGQXQJPNAF-OAHLLOKOSA-N 2 2 331.464 1.801 20 0 EDADLP Brc1ccc2ncnc(N3CC[NH2+]CC[NH2+]CC3)c2c1 ZINC000900369518 591998812 /nfs/dbraw/zinc/99/88/12/591998812.db2.gz KQRTZIYTQROTSJ-UHFFFAOYSA-N 2 2 336.237 1.392 20 0 EDADLP O=c1[nH]ncc(N2CC[C@@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)c1Cl ZINC000902518122 592009687 /nfs/dbraw/zinc/00/96/87/592009687.db2.gz KTEJVJPQSFFTAF-YPMHNXCESA-N 2 2 337.855 1.679 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900425372 592015145 /nfs/dbraw/zinc/01/51/45/592015145.db2.gz PAUZRLBQJUYCIQ-VKAVYKQESA-N 2 2 337.508 1.845 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000900445873 592029177 /nfs/dbraw/zinc/02/91/77/592029177.db2.gz HOXATGSGAFTSDA-LSDHHAIUSA-N 2 2 348.447 1.738 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000900445873 592029179 /nfs/dbraw/zinc/02/91/79/592029179.db2.gz HOXATGSGAFTSDA-LSDHHAIUSA-N 2 2 348.447 1.738 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)no1 ZINC000900498756 592037410 /nfs/dbraw/zinc/03/74/10/592037410.db2.gz OOJOZTLLBVVFTR-OLZOCXBDSA-N 2 2 335.452 1.499 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)no1 ZINC000900498756 592037413 /nfs/dbraw/zinc/03/74/13/592037413.db2.gz OOJOZTLLBVVFTR-OLZOCXBDSA-N 2 2 335.452 1.499 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cn(C)nn1 ZINC000902733556 592054231 /nfs/dbraw/zinc/05/42/31/592054231.db2.gz PRHYBUCUNMGJNB-MRXNPFEDSA-N 2 2 328.464 1.678 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cn(C)nn3)cn2)CC1 ZINC000902751566 592057510 /nfs/dbraw/zinc/05/75/10/592057510.db2.gz VXCBVMJZNIDNSZ-CQSZACIVSA-N 2 2 329.452 1.203 20 0 EDADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000902776403 592061320 /nfs/dbraw/zinc/06/13/20/592061320.db2.gz KMRLGJWPPXYNLO-KSSFIOAISA-N 2 2 331.460 1.682 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC(F)(F)C(F)F ZINC000900692189 592096090 /nfs/dbraw/zinc/09/60/90/592096090.db2.gz GGJPUCJQGBJXJW-UHFFFAOYSA-N 2 2 327.366 1.761 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC(F)(F)C(F)F ZINC000900692189 592096091 /nfs/dbraw/zinc/09/60/91/592096091.db2.gz GGJPUCJQGBJXJW-UHFFFAOYSA-N 2 2 327.366 1.761 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c[nH+]1 ZINC000900693553 592097442 /nfs/dbraw/zinc/09/74/42/592097442.db2.gz WPHQGBRKUXBCQC-UHFFFAOYSA-N 3 2 335.496 1.411 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c[nH+]1 ZINC000900693553 592097444 /nfs/dbraw/zinc/09/74/44/592097444.db2.gz WPHQGBRKUXBCQC-UHFFFAOYSA-N 3 2 335.496 1.411 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000900693553 592097447 /nfs/dbraw/zinc/09/74/47/592097447.db2.gz WPHQGBRKUXBCQC-UHFFFAOYSA-N 2 2 335.496 1.411 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000900693553 592097450 /nfs/dbraw/zinc/09/74/50/592097450.db2.gz WPHQGBRKUXBCQC-UHFFFAOYSA-N 2 2 335.496 1.411 20 0 EDADLP CCn1c[nH+]c2c1CCN(C(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)C2 ZINC000900727933 592097855 /nfs/dbraw/zinc/09/78/55/592097855.db2.gz MLLILNOBJLXHJJ-KRWDZBQOSA-N 2 2 334.464 1.581 20 0 EDADLP COC(=O)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(C)c1 ZINC000903064649 592112020 /nfs/dbraw/zinc/11/20/20/592112020.db2.gz PUVXFEYDLYXNDF-YOEHRIQHSA-N 2 2 347.459 1.772 20 0 EDADLP COC(=O)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(C)c1 ZINC000903064649 592112023 /nfs/dbraw/zinc/11/20/23/592112023.db2.gz PUVXFEYDLYXNDF-YOEHRIQHSA-N 2 2 347.459 1.772 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2=O)cn1 ZINC000903100902 592120338 /nfs/dbraw/zinc/12/03/38/592120338.db2.gz WNYPGIWLMXHYFJ-NPVYPNSJSA-N 2 2 343.475 1.663 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2=O)cn1 ZINC000903100902 592120340 /nfs/dbraw/zinc/12/03/40/592120340.db2.gz WNYPGIWLMXHYFJ-NPVYPNSJSA-N 2 2 343.475 1.663 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000900788037 592123786 /nfs/dbraw/zinc/12/37/86/592123786.db2.gz TVQZGDPKAQKNRG-JKSUJKDBSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000900788037 592123787 /nfs/dbraw/zinc/12/37/87/592123787.db2.gz TVQZGDPKAQKNRG-JKSUJKDBSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000900788037 592123788 /nfs/dbraw/zinc/12/37/88/592123788.db2.gz TVQZGDPKAQKNRG-JKSUJKDBSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000900788037 592123789 /nfs/dbraw/zinc/12/37/89/592123789.db2.gz TVQZGDPKAQKNRG-JKSUJKDBSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000903299862 592153434 /nfs/dbraw/zinc/15/34/34/592153434.db2.gz CCWQUMVPXCCCOO-DZKIICNBSA-N 2 2 339.480 1.249 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000903299862 592153436 /nfs/dbraw/zinc/15/34/36/592153436.db2.gz CCWQUMVPXCCCOO-DZKIICNBSA-N 2 2 339.480 1.249 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000903431220 592168484 /nfs/dbraw/zinc/16/84/84/592168484.db2.gz JHXRHMCHXJEIJB-CVEARBPZSA-N 2 2 346.475 1.249 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000903431220 592168487 /nfs/dbraw/zinc/16/84/87/592168487.db2.gz JHXRHMCHXJEIJB-CVEARBPZSA-N 2 2 346.475 1.249 20 0 EDADLP COc1ccc(OC)c(CN2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903441388 592170304 /nfs/dbraw/zinc/17/03/04/592170304.db2.gz PXKPZMOYEQZFBQ-WBVHZDCISA-N 2 2 333.476 1.677 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903441388 592170306 /nfs/dbraw/zinc/17/03/06/592170306.db2.gz PXKPZMOYEQZFBQ-WBVHZDCISA-N 2 2 333.476 1.677 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000900949241 592174190 /nfs/dbraw/zinc/17/41/90/592174190.db2.gz MGFMJWACWPJFEV-UHFFFAOYSA-N 2 2 333.480 1.892 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000900949241 592174191 /nfs/dbraw/zinc/17/41/91/592174191.db2.gz MGFMJWACWPJFEV-UHFFFAOYSA-N 2 2 333.480 1.892 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000903468855 592174648 /nfs/dbraw/zinc/17/46/48/592174648.db2.gz OVCYYSZNBKJIBA-OAHLLOKOSA-N 2 2 330.432 1.826 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)N[C@H]1CCOc2ccccc21 ZINC000903468230 592174767 /nfs/dbraw/zinc/17/47/67/592174767.db2.gz IQRMGSVPBPXAKM-QRTARXTBSA-N 2 2 329.444 1.889 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000903565050 592212206 /nfs/dbraw/zinc/21/22/06/592212206.db2.gz DQPKJPFFOANLHD-JSGCOSHPSA-N 2 2 329.238 1.833 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000903566156 592212591 /nfs/dbraw/zinc/21/25/91/592212591.db2.gz JYMBSFJAQOBUTP-UHFFFAOYSA-N 2 2 337.489 1.267 20 0 EDADLP CC1(C)C[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000903556053 592218078 /nfs/dbraw/zinc/21/80/78/592218078.db2.gz LGFACFHNXBZKMS-QGZVFWFLSA-N 2 2 346.475 1.521 20 0 EDADLP CC1(C)C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000903556053 592218081 /nfs/dbraw/zinc/21/80/81/592218081.db2.gz LGFACFHNXBZKMS-QGZVFWFLSA-N 2 2 346.475 1.521 20 0 EDADLP COC(=O)c1cn(C2CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC2)nn1 ZINC000904345997 592235423 /nfs/dbraw/zinc/23/54/23/592235423.db2.gz OADZEYDVLBGLHD-ZDUSSCGKSA-N 2 2 337.468 1.855 20 0 EDADLP CCn1nc(C2CC2)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000906677187 592258144 /nfs/dbraw/zinc/25/81/44/592258144.db2.gz KKOKATFPMUFCRF-UHFFFAOYSA-N 2 2 347.507 1.878 20 0 EDADLP CCn1nc(C2CC2)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000906677187 592258148 /nfs/dbraw/zinc/25/81/48/592258148.db2.gz KKOKATFPMUFCRF-UHFFFAOYSA-N 2 2 347.507 1.878 20 0 EDADLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)cc(Cl)c1OCC(N)=O ZINC000904463561 592260246 /nfs/dbraw/zinc/26/02/46/592260246.db2.gz XDDPYJMTRZGDSI-CYBMUJFWSA-N 2 2 341.839 1.300 20 0 EDADLP O=C(c1ccsc1)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722116 592282852 /nfs/dbraw/zinc/28/28/52/592282852.db2.gz HFHBJFKHDFXMPH-RDJZCZTQSA-N 2 2 335.473 1.275 20 0 EDADLP Cn1cc[nH+]c1CN(Cc1cnn(CCF)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000903745542 592292146 /nfs/dbraw/zinc/29/21/46/592292146.db2.gz JZBOPYXDUIEWOL-INIZCTEOSA-N 2 2 346.454 1.730 20 0 EDADLP CC(C)(C)c1nc(CN2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)no1 ZINC000903739656 592302290 /nfs/dbraw/zinc/30/22/90/592302290.db2.gz NOTBKJUHVLDLGF-HNNXBMFYSA-N 2 2 335.496 1.874 20 0 EDADLP Cc1cccc([C@H]2C(=O)NCC[N@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903765508 592308703 /nfs/dbraw/zinc/30/87/03/592308703.db2.gz IXEAHUTWGODVBY-MSOLQXFVSA-N 2 2 343.471 1.627 20 0 EDADLP Cc1cccc([C@H]2C(=O)NCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903765508 592308707 /nfs/dbraw/zinc/30/87/07/592308707.db2.gz IXEAHUTWGODVBY-MSOLQXFVSA-N 2 2 343.471 1.627 20 0 EDADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2Cc2nnnn2CC2CCOCC2)CCC1 ZINC000903810549 592330456 /nfs/dbraw/zinc/33/04/56/592330456.db2.gz DNKIJUBOCDCHIJ-INIZCTEOSA-N 2 2 348.495 1.583 20 0 EDADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2Cc2nnnn2CC2CCOCC2)CCC1 ZINC000903810549 592330461 /nfs/dbraw/zinc/33/04/61/592330461.db2.gz DNKIJUBOCDCHIJ-INIZCTEOSA-N 2 2 348.495 1.583 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000903824993 592333852 /nfs/dbraw/zinc/33/38/52/592333852.db2.gz WTFHFMSKNLFHOK-XWSJACJDSA-N 2 2 334.460 1.045 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000903824993 592333857 /nfs/dbraw/zinc/33/38/57/592333857.db2.gz WTFHFMSKNLFHOK-XWSJACJDSA-N 2 2 334.460 1.045 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000903889844 592351222 /nfs/dbraw/zinc/35/12/22/592351222.db2.gz WISJOKGFJFKZNY-HOTGVXAUSA-N 3 2 341.463 1.532 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000903889844 592351227 /nfs/dbraw/zinc/35/12/27/592351227.db2.gz WISJOKGFJFKZNY-HOTGVXAUSA-N 3 2 341.463 1.532 20 0 EDADLP [NH3+][C@@H](CC(F)F)CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000903890463 592352679 /nfs/dbraw/zinc/35/26/79/592352679.db2.gz CIYSNMFNORMWLV-ZDUSSCGKSA-N 2 2 332.439 1.035 20 0 EDADLP COC(=O)[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C(=O)OC)C1 ZINC000903902884 592371876 /nfs/dbraw/zinc/37/18/76/592371876.db2.gz PALQMQOZLFPSQF-DYVFJYSZSA-N 2 2 346.427 1.259 20 0 EDADLP COC(=O)[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C(=O)OC)C1 ZINC000903902884 592371881 /nfs/dbraw/zinc/37/18/81/592371881.db2.gz PALQMQOZLFPSQF-DYVFJYSZSA-N 2 2 346.427 1.259 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1(O)CCC1 ZINC000905035005 592372963 /nfs/dbraw/zinc/37/29/63/592372963.db2.gz NCRSWRGNXBGKKJ-SFHVURJKSA-N 2 2 333.476 1.064 20 0 EDADLP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918328 592375800 /nfs/dbraw/zinc/37/58/00/592375800.db2.gz WSYAPHZZDWXMJP-YJBOKZPZSA-N 2 2 349.479 1.900 20 0 EDADLP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918328 592375807 /nfs/dbraw/zinc/37/58/07/592375807.db2.gz WSYAPHZZDWXMJP-YJBOKZPZSA-N 2 2 349.479 1.900 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cnn1C ZINC000903933600 592385333 /nfs/dbraw/zinc/38/53/33/592385333.db2.gz STQDEHIICXDBJG-KYOSRNDESA-N 2 2 348.413 1.888 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)cnn1C ZINC000903933600 592385338 /nfs/dbraw/zinc/38/53/38/592385338.db2.gz STQDEHIICXDBJG-KYOSRNDESA-N 2 2 348.413 1.888 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905093209 592419111 /nfs/dbraw/zinc/41/91/11/592419111.db2.gz IDQFWWMBKBEDEL-IRXDYDNUSA-N 2 2 347.459 1.608 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905093209 592419115 /nfs/dbraw/zinc/41/91/15/592419115.db2.gz IDQFWWMBKBEDEL-IRXDYDNUSA-N 2 2 347.459 1.608 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905093211 592419655 /nfs/dbraw/zinc/41/96/55/592419655.db2.gz IDQFWWMBKBEDEL-SJORKVTESA-N 2 2 347.459 1.608 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905093211 592419660 /nfs/dbraw/zinc/41/96/60/592419660.db2.gz IDQFWWMBKBEDEL-SJORKVTESA-N 2 2 347.459 1.608 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1)C(=O)NC(C)(C)C ZINC000901730938 592446855 /nfs/dbraw/zinc/44/68/55/592446855.db2.gz YRNRMCCQTFBGOA-VHSXEESVSA-N 2 2 343.269 1.853 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N(O)Cc3ccccc3)C2)CC1 ZINC000904171649 592449990 /nfs/dbraw/zinc/44/99/90/592449990.db2.gz YGFYLRVOBVCCTC-INIZCTEOSA-N 2 2 332.448 1.756 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N(O)Cc3ccccc3)C2)CC1 ZINC000904171649 592449993 /nfs/dbraw/zinc/44/99/93/592449993.db2.gz YGFYLRVOBVCCTC-INIZCTEOSA-N 2 2 332.448 1.756 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000905259895 592480176 /nfs/dbraw/zinc/48/01/76/592480176.db2.gz HROGZZNNATWXCB-NJAFHUGGSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000905259895 592480177 /nfs/dbraw/zinc/48/01/77/592480177.db2.gz HROGZZNNATWXCB-NJAFHUGGSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000905259894 592480415 /nfs/dbraw/zinc/48/04/15/592480415.db2.gz HROGZZNNATWXCB-KBAYOESNSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000905259894 592480417 /nfs/dbraw/zinc/48/04/17/592480417.db2.gz HROGZZNNATWXCB-KBAYOESNSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000905261828 592480673 /nfs/dbraw/zinc/48/06/73/592480673.db2.gz SJTUVCGQVDFSAC-OWYHZJEWSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000905261828 592480675 /nfs/dbraw/zinc/48/06/75/592480675.db2.gz SJTUVCGQVDFSAC-OWYHZJEWSA-N 2 2 334.460 1.141 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000908414355 592486692 /nfs/dbraw/zinc/48/66/92/592486692.db2.gz OPWNMUOPDFYCFT-YVEFUNNKSA-N 2 2 348.834 1.597 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000908414355 592486695 /nfs/dbraw/zinc/48/66/95/592486695.db2.gz OPWNMUOPDFYCFT-YVEFUNNKSA-N 2 2 348.834 1.597 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905367624 592517042 /nfs/dbraw/zinc/51/70/42/592517042.db2.gz KYFHVDCUHHHBKJ-OTWHNJEPSA-N 2 2 336.476 1.298 20 0 EDADLP OCCC[N@H+]1CCC[C@H]([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905367624 592517045 /nfs/dbraw/zinc/51/70/45/592517045.db2.gz KYFHVDCUHHHBKJ-OTWHNJEPSA-N 2 2 336.476 1.298 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1CCCO1 ZINC000907132427 592525039 /nfs/dbraw/zinc/52/50/39/592525039.db2.gz NHIHRWYPOAGGMY-AQDBYXPISA-N 2 2 335.492 1.571 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@@H]1CCCO1 ZINC000907132427 592525041 /nfs/dbraw/zinc/52/50/41/592525041.db2.gz NHIHRWYPOAGGMY-AQDBYXPISA-N 2 2 335.492 1.571 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449854 592529432 /nfs/dbraw/zinc/52/94/32/592529432.db2.gz GWOUHXKYZVABRV-UYAOXDASSA-N 2 2 343.471 1.224 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449854 592529436 /nfs/dbraw/zinc/52/94/36/592529436.db2.gz GWOUHXKYZVABRV-UYAOXDASSA-N 2 2 343.471 1.224 20 0 EDADLP 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ZINC000905620180 592587772 /nfs/dbraw/zinc/58/77/72/592587772.db2.gz QEIFHRNJFVDXRB-FHWLQOOXSA-N 2 2 334.460 1.314 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000905656053 592598707 /nfs/dbraw/zinc/59/87/07/592598707.db2.gz CMDGOCMZMYEFSG-LSDHHAIUSA-N 2 2 328.526 1.046 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=S)NC[C@H]1CCC[N@H+]1CC ZINC000905656053 592598710 /nfs/dbraw/zinc/59/87/10/592598710.db2.gz CMDGOCMZMYEFSG-LSDHHAIUSA-N 2 2 328.526 1.046 20 0 EDADLP COc1cccc([C@@H]2C[NH2+]CCN2c2cc(NC[C@@H](C)O)[nH+]cn2)c1 ZINC000905661418 592600107 /nfs/dbraw/zinc/60/01/07/592600107.db2.gz MYFXWXDXIOGJAR-CJNGLKHVSA-N 2 2 343.431 1.429 20 0 EDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1nc(C)[nH+]c3c1CCCC3)C2 ZINC000905694305 592624922 /nfs/dbraw/zinc/62/49/22/592624922.db2.gz VEXMWTDSCNHPRK-JCGVRSQUSA-N 2 2 330.432 1.381 20 0 EDADLP CCn1c([C@@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000908831026 592635667 /nfs/dbraw/zinc/63/56/67/592635667.db2.gz MICGUONZFYMTMQ-KGLIPLIRSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000908831026 592635669 /nfs/dbraw/zinc/63/56/69/592635669.db2.gz MICGUONZFYMTMQ-KGLIPLIRSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908831026 592635670 /nfs/dbraw/zinc/63/56/70/592635670.db2.gz MICGUONZFYMTMQ-KGLIPLIRSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908831026 592635673 /nfs/dbraw/zinc/63/56/73/592635673.db2.gz MICGUONZFYMTMQ-KGLIPLIRSA-N 2 2 336.484 1.220 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC2(O)CCCCC2)C1 ZINC000905938314 592689861 /nfs/dbraw/zinc/68/98/61/592689861.db2.gz PTMXQLPNHRIINV-IRXDYDNUSA-N 2 2 328.497 1.379 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC2(O)CCCCC2)C1 ZINC000905938314 592689863 /nfs/dbraw/zinc/68/98/63/592689863.db2.gz PTMXQLPNHRIINV-IRXDYDNUSA-N 2 2 328.497 1.379 20 0 EDADLP 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20 0 EDADLP CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000910283993 592821224 /nfs/dbraw/zinc/82/12/24/592821224.db2.gz YNIRAKDMZSAGBH-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000910283993 592821226 /nfs/dbraw/zinc/82/12/26/592821226.db2.gz YNIRAKDMZSAGBH-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000910283993 592821229 /nfs/dbraw/zinc/82/12/29/592821229.db2.gz YNIRAKDMZSAGBH-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906542536 592847589 /nfs/dbraw/zinc/84/75/89/592847589.db2.gz ATCNPIIZHOXYAX-UHFFFAOYSA-N 2 2 348.491 1.377 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906542536 592847590 /nfs/dbraw/zinc/84/75/90/592847590.db2.gz ATCNPIIZHOXYAX-UHFFFAOYSA-N 2 2 348.491 1.377 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000910839667 592895512 /nfs/dbraw/zinc/89/55/12/592895512.db2.gz DZMFWDCCXWWYAW-HUUCEWRRSA-N 2 2 347.463 1.026 20 0 EDADLP [NH3+][C@@H]1CCCn2nc(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)cc21 ZINC000911643278 592965153 /nfs/dbraw/zinc/96/51/53/592965153.db2.gz RQCJIMSWICRLKN-CQSZACIVSA-N 2 2 340.431 1.602 20 0 EDADLP C[NH2+]C[C@H]1CCCN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000911635211 592971661 /nfs/dbraw/zinc/97/16/61/592971661.db2.gz QEHMGNIVVMZPHO-VXGBXAGGSA-N 2 2 332.370 1.914 20 0 EDADLP C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000911635209 592971678 /nfs/dbraw/zinc/97/16/78/592971678.db2.gz QEHMGNIVVMZPHO-RYUDHWBXSA-N 2 2 332.370 1.914 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000911752623 592997910 /nfs/dbraw/zinc/99/79/10/592997910.db2.gz XGGGWGLFVYXKHA-LBPRGKRZSA-N 2 2 328.372 1.500 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)CC[N@@H+]1C ZINC000866981958 593133531 /nfs/dbraw/zinc/13/35/31/593133531.db2.gz PJOHMKNQFQOLRU-JKHFOPOESA-N 3 2 348.535 1.486 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)CC[N@H+]1C ZINC000866981958 593133532 /nfs/dbraw/zinc/13/35/32/593133532.db2.gz PJOHMKNQFQOLRU-JKHFOPOESA-N 3 2 348.535 1.486 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC[NH+]1C ZINC000866981958 593133533 /nfs/dbraw/zinc/13/35/33/593133533.db2.gz PJOHMKNQFQOLRU-JKHFOPOESA-N 3 2 348.535 1.486 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC[NH+]1C ZINC000866981958 593133534 /nfs/dbraw/zinc/13/35/34/593133534.db2.gz PJOHMKNQFQOLRU-JKHFOPOESA-N 3 2 348.535 1.486 20 0 EDADLP CC1=C(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)SCCO1 ZINC000807071839 593141858 /nfs/dbraw/zinc/14/18/58/593141858.db2.gz UFNOBCQRSVYKNS-HNNXBMFYSA-N 2 2 339.505 1.608 20 0 EDADLP CC1=C(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)SCCO1 ZINC000807071839 593141860 /nfs/dbraw/zinc/14/18/60/593141860.db2.gz UFNOBCQRSVYKNS-HNNXBMFYSA-N 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O=C1[C@@H](C2CC2)[C@@H](C2CC2)N1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000839954865 593224304 /nfs/dbraw/zinc/22/43/04/593224304.db2.gz XBERBEIGXBPIGG-ZWKOTPCHSA-N 2 2 326.444 1.808 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000802732877 593274010 /nfs/dbraw/zinc/27/40/10/593274010.db2.gz IQMNBRSDCJGYRO-IDHHARJASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000802732877 593274012 /nfs/dbraw/zinc/27/40/12/593274012.db2.gz IQMNBRSDCJGYRO-IDHHARJASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1=O ZINC000802732877 593274015 /nfs/dbraw/zinc/27/40/15/593274015.db2.gz IQMNBRSDCJGYRO-IDHHARJASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1=O ZINC000802732877 593274016 /nfs/dbraw/zinc/27/40/16/593274016.db2.gz IQMNBRSDCJGYRO-IDHHARJASA-N 2 2 348.491 1.861 20 0 EDADLP O=C1CC2(CCC2)C(=O)N1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000840031831 593396379 /nfs/dbraw/zinc/39/63/79/593396379.db2.gz UCAALKXPHKBTLM-ZBFHGGJFSA-N 2 2 331.460 1.822 20 0 EDADLP O=C1CC2(CCC2)C(=O)N1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000840031831 593396381 /nfs/dbraw/zinc/39/63/81/593396381.db2.gz UCAALKXPHKBTLM-ZBFHGGJFSA-N 2 2 331.460 1.822 20 0 EDADLP O=C1CC2(CCC2)C(=O)N1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000840031831 593396383 /nfs/dbraw/zinc/39/63/83/593396383.db2.gz UCAALKXPHKBTLM-ZBFHGGJFSA-N 2 2 331.460 1.822 20 0 EDADLP O=C1CC2(CCC2)C(=O)N1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000840031831 593396386 /nfs/dbraw/zinc/39/63/86/593396386.db2.gz UCAALKXPHKBTLM-ZBFHGGJFSA-N 2 2 331.460 1.822 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c(N(C)C)[nH+]1 ZINC000810441592 593402775 /nfs/dbraw/zinc/40/27/75/593402775.db2.gz QMPCVESTGSRZKQ-ZDUSSCGKSA-N 2 2 335.452 1.239 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(N(C)C)[nH+]1 ZINC000810441592 593402777 /nfs/dbraw/zinc/40/27/77/593402777.db2.gz QMPCVESTGSRZKQ-ZDUSSCGKSA-N 2 2 335.452 1.239 20 0 EDADLP O=C(O[C@H]1CCC[N@H+](Cc2ncccn2)C1)C1CC[NH+](C2CC2)CC1 ZINC000810737245 593426439 /nfs/dbraw/zinc/42/64/39/593426439.db2.gz GOQGBAMYGIFCMR-KRWDZBQOSA-N 2 2 344.459 1.859 20 0 EDADLP O=C(O[C@H]1CCC[N@@H+](Cc2ncccn2)C1)C1CC[NH+](C2CC2)CC1 ZINC000810737245 593426440 /nfs/dbraw/zinc/42/64/40/593426440.db2.gz GOQGBAMYGIFCMR-KRWDZBQOSA-N 2 2 344.459 1.859 20 0 EDADLP Cc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(N(C)C)[nH+]1 ZINC000806364340 593440510 /nfs/dbraw/zinc/44/05/10/593440510.db2.gz UUKBRODWQPZNHF-LSDHHAIUSA-N 2 2 347.463 1.783 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000811952992 593487174 /nfs/dbraw/zinc/48/71/74/593487174.db2.gz VLJAGUWHWOOFAB-LSDHHAIUSA-N 2 2 347.463 1.210 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000811952992 593487175 /nfs/dbraw/zinc/48/71/75/593487175.db2.gz VLJAGUWHWOOFAB-LSDHHAIUSA-N 2 2 347.463 1.210 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)s1 ZINC000816642450 593537186 /nfs/dbraw/zinc/53/71/86/593537186.db2.gz ZRZWTRPLIJBRFJ-ZDUSSCGKSA-N 2 2 336.465 1.126 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)s1 ZINC000816642450 593537187 /nfs/dbraw/zinc/53/71/87/593537187.db2.gz ZRZWTRPLIJBRFJ-ZDUSSCGKSA-N 2 2 336.465 1.126 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cn1 ZINC000816893086 593555621 /nfs/dbraw/zinc/55/56/21/593555621.db2.gz BFXZFILOVRCYFO-OAHLLOKOSA-N 2 2 336.399 1.651 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cn1 ZINC000816893085 593555688 /nfs/dbraw/zinc/55/56/88/593555688.db2.gz BFXZFILOVRCYFO-HNNXBMFYSA-N 2 2 336.399 1.651 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnn(C)c2Cl)CC1 ZINC000815124263 593616977 /nfs/dbraw/zinc/61/69/77/593616977.db2.gz PPBPCSKOHLJYCC-UHFFFAOYSA-N 2 2 327.860 1.106 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(F)(F)C(F)F)CC2)CC1 ZINC000817658847 593620729 /nfs/dbraw/zinc/62/07/29/593620729.db2.gz LMOSELNTHGKGOT-UHFFFAOYSA-N 2 2 339.377 1.905 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(F)(F)C(F)F)CC2)CC1 ZINC000817658847 593620730 /nfs/dbraw/zinc/62/07/30/593620730.db2.gz LMOSELNTHGKGOT-UHFFFAOYSA-N 2 2 339.377 1.905 20 0 EDADLP O[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1c(F)cccc1Cl ZINC000817906058 593647416 /nfs/dbraw/zinc/64/74/16/593647416.db2.gz SMRIKZJSPOTJIA-IIAWOOMASA-N 2 2 328.815 1.869 20 0 EDADLP C[C@@H](C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)C[NH+]1CCOCC1 ZINC000819089251 593738327 /nfs/dbraw/zinc/73/83/27/593738327.db2.gz IQTOKFGTEBTHSZ-INIZCTEOSA-N 2 2 348.491 1.639 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819152994 593741539 /nfs/dbraw/zinc/74/15/39/593741539.db2.gz GLSBHEUKNKBZJJ-CSMYWGQOSA-N 2 2 338.473 1.196 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819152994 593741540 /nfs/dbraw/zinc/74/15/40/593741540.db2.gz GLSBHEUKNKBZJJ-CSMYWGQOSA-N 2 2 338.473 1.196 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820481782 593822874 /nfs/dbraw/zinc/82/28/74/593822874.db2.gz ZZPXAOVSMSSDAH-LBPRGKRZSA-N 2 2 348.426 1.283 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820481782 593822875 /nfs/dbraw/zinc/82/28/75/593822875.db2.gz ZZPXAOVSMSSDAH-LBPRGKRZSA-N 2 2 348.426 1.283 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H](C)O1 ZINC000820758630 593883365 /nfs/dbraw/zinc/88/33/65/593883365.db2.gz AQAVQGYJTUNSQD-CHWSQXEVSA-N 2 2 348.426 1.595 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cnnn1C ZINC000820809100 593894945 /nfs/dbraw/zinc/89/49/45/593894945.db2.gz UCTSWNGPKLWZIT-HUUCEWRRSA-N 2 2 329.448 1.887 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cnnn1C ZINC000820809100 593894948 /nfs/dbraw/zinc/89/49/48/593894948.db2.gz UCTSWNGPKLWZIT-HUUCEWRRSA-N 2 2 329.448 1.887 20 0 EDADLP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1)C[NH+]1CCOCC1 ZINC000820810912 593895078 /nfs/dbraw/zinc/89/50/78/593895078.db2.gz HLEZFVCMTSKVQQ-CVEARBPZSA-N 2 2 329.448 1.886 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[NH+](CCOC(C)C)CC2)[nH+]1 ZINC000822193260 594006954 /nfs/dbraw/zinc/00/69/54/594006954.db2.gz PWBGZTPTHMRBBW-UHFFFAOYSA-N 2 2 345.451 1.426 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824569238 594040121 /nfs/dbraw/zinc/04/01/21/594040121.db2.gz GLECDNRUUIKYCL-XJKSGUPXSA-N 2 2 330.436 1.364 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822774099 594098478 /nfs/dbraw/zinc/09/84/78/594098478.db2.gz AERVVBCFTATLBJ-AAEUAGOBSA-N 2 2 334.291 1.984 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(OC(F)F)nc1 ZINC000824956701 594105109 /nfs/dbraw/zinc/10/51/09/594105109.db2.gz HVUVVTGUQZLYGO-UHFFFAOYSA-N 2 2 330.379 1.296 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(OC(F)F)nc1 ZINC000824956701 594105110 /nfs/dbraw/zinc/10/51/10/594105110.db2.gz HVUVVTGUQZLYGO-UHFFFAOYSA-N 2 2 330.379 1.296 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000825180223 594142856 /nfs/dbraw/zinc/14/28/56/594142856.db2.gz KBSAXSQQXCVCNL-SJLPKXTDSA-N 2 2 330.476 1.104 20 0 EDADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)ccn1 ZINC000825870187 594266239 /nfs/dbraw/zinc/26/62/39/594266239.db2.gz DEAQWUZPUUYFBK-UHFFFAOYSA-N 2 2 343.391 1.085 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000830550474 594420397 /nfs/dbraw/zinc/42/03/97/594420397.db2.gz YPSJHTRJBHZUSV-GOSISDBHSA-N 2 2 330.476 1.965 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)C[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000830550474 594420399 /nfs/dbraw/zinc/42/03/99/594420399.db2.gz YPSJHTRJBHZUSV-GOSISDBHSA-N 2 2 330.476 1.965 20 0 EDADLP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166207 594573419 /nfs/dbraw/zinc/57/34/19/594573419.db2.gz SMQVOJDDYYEFKA-IAGOWNOFSA-N 2 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166207 594573421 /nfs/dbraw/zinc/57/34/21/594573421.db2.gz SMQVOJDDYYEFKA-IAGOWNOFSA-N 2 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166207 594573422 /nfs/dbraw/zinc/57/34/22/594573422.db2.gz SMQVOJDDYYEFKA-IAGOWNOFSA-N 3 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166207 594573423 /nfs/dbraw/zinc/57/34/23/594573423.db2.gz SMQVOJDDYYEFKA-IAGOWNOFSA-N 3 2 347.507 1.748 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000827220530 594654275 /nfs/dbraw/zinc/65/42/75/594654275.db2.gz SMDUPDQRESUNQX-YTQUADARSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000827220530 594654276 /nfs/dbraw/zinc/65/42/76/594654276.db2.gz SMDUPDQRESUNQX-YTQUADARSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000827220530 594654277 /nfs/dbraw/zinc/65/42/77/594654277.db2.gz SMDUPDQRESUNQX-YTQUADARSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000827220530 594654278 /nfs/dbraw/zinc/65/42/78/594654278.db2.gz SMDUPDQRESUNQX-YTQUADARSA-N 2 2 343.471 1.822 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CC4(CC4(F)F)C3)C2)CC1 ZINC000827413843 594669768 /nfs/dbraw/zinc/66/97/68/594669768.db2.gz MTCJXURTCBEHSR-MFOWVQHXSA-N 2 2 327.419 1.707 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CC4(CC4(F)F)C3)C2)CC1 ZINC000827413843 594669769 /nfs/dbraw/zinc/66/97/69/594669769.db2.gz MTCJXURTCBEHSR-MFOWVQHXSA-N 2 2 327.419 1.707 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000827463421 594674473 /nfs/dbraw/zinc/67/44/73/594674473.db2.gz AFALQLZRXGAUBW-HXUWFJFHSA-N 2 2 347.422 1.815 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cnn(-c4ccccc4)n3)CC2)C1 ZINC000841104746 594851678 /nfs/dbraw/zinc/85/16/78/594851678.db2.gz ZSNNGLHHNSBMFA-VQIMIIECSA-N 2 2 341.459 1.986 20 0 EDADLP Cc1ccc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(N(C)C)[nH+]1 ZINC000841155001 594859948 /nfs/dbraw/zinc/85/99/48/594859948.db2.gz PTMJQGHIYLRTML-ZBFHGGJFSA-N 2 2 347.463 1.816 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841838135 594961754 /nfs/dbraw/zinc/96/17/54/594961754.db2.gz NLUVUNITPLWSKR-INIZCTEOSA-N 2 2 345.491 1.773 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841838135 594961757 /nfs/dbraw/zinc/96/17/57/594961757.db2.gz NLUVUNITPLWSKR-INIZCTEOSA-N 2 2 345.491 1.773 20 0 EDADLP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@H]1CSC[NH2+]1 ZINC000841847485 594964872 /nfs/dbraw/zinc/96/48/72/594964872.db2.gz ZCJHZXXSHKOCMF-KBPBESRZSA-N 2 2 335.429 1.196 20 0 EDADLP Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(N(C)C)[nH+]1 ZINC000836478722 594967777 /nfs/dbraw/zinc/96/77/77/594967777.db2.gz UMXNYWSOLRUFCH-AWEZNQCLSA-N 2 2 335.452 1.424 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843353940 595084809 /nfs/dbraw/zinc/08/48/09/595084809.db2.gz RFJDFIPTSKSHKY-QJPTWQEYSA-N 2 2 331.420 1.655 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843353940 595084812 /nfs/dbraw/zinc/08/48/12/595084812.db2.gz RFJDFIPTSKSHKY-QJPTWQEYSA-N 2 2 331.420 1.655 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2c(C)nn(CCS(C)(=O)=O)c2C)CC[C@H]1[NH3+] ZINC000843377102 595093566 /nfs/dbraw/zinc/09/35/66/595093566.db2.gz JPXQMAFETJUAEZ-GDBMZVCRSA-N 2 2 342.509 1.104 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2c(C)nn(CCS(C)(=O)=O)c2C)CC[C@H]1[NH3+] ZINC000843377102 595093567 /nfs/dbraw/zinc/09/35/67/595093567.db2.gz JPXQMAFETJUAEZ-GDBMZVCRSA-N 2 2 342.509 1.104 20 0 EDADLP C[N@@H+]1CCN(N2CCO[C@@H](c3c(F)cccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000843043901 595271219 /nfs/dbraw/zinc/27/12/19/595271219.db2.gz DABIADSAVBCFRR-IUODEOHRSA-N 2 2 342.846 1.342 20 0 EDADLP C[N@H+]1CCN(N2CCO[C@@H](c3c(F)cccc3Cl)C2)[C@H](C[NH3+])C1 ZINC000843043901 595271221 /nfs/dbraw/zinc/27/12/21/595271221.db2.gz DABIADSAVBCFRR-IUODEOHRSA-N 2 2 342.846 1.342 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000844171354 595290283 /nfs/dbraw/zinc/29/02/83/595290283.db2.gz ZEWXKRBATUIBAD-UHFFFAOYSA-N 2 2 343.349 1.721 20 0 EDADLP CN(C)c1ccc(N2C(=O)C[C@H]([NH2+]C[C@H]3CCC[N@H+](C)C3)C2=O)cc1 ZINC000846701400 595304064 /nfs/dbraw/zinc/30/40/64/595304064.db2.gz FSCGNAZSEAITMQ-PBHICJAKSA-N 2 2 344.459 1.316 20 0 EDADLP CN(C)c1ccc(N2C(=O)C[C@H]([NH2+]C[C@H]3CCC[N@@H+](C)C3)C2=O)cc1 ZINC000846701400 595304066 /nfs/dbraw/zinc/30/40/66/595304066.db2.gz FSCGNAZSEAITMQ-PBHICJAKSA-N 2 2 344.459 1.316 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221072 595306307 /nfs/dbraw/zinc/30/63/07/595306307.db2.gz SENLJXMGZJKBKQ-SFHVURJKSA-N 2 2 346.475 1.536 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221072 595306310 /nfs/dbraw/zinc/30/63/10/595306310.db2.gz SENLJXMGZJKBKQ-SFHVURJKSA-N 2 2 346.475 1.536 20 0 EDADLP CC[N@H+](CCOC)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844685858 595372813 /nfs/dbraw/zinc/37/28/13/595372813.db2.gz GCPBMNPBTVTWNZ-OALUTQOASA-N 2 2 345.487 1.893 20 0 EDADLP CC[N@@H+](CCOC)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844685858 595372815 /nfs/dbraw/zinc/37/28/15/595372815.db2.gz GCPBMNPBTVTWNZ-OALUTQOASA-N 2 2 345.487 1.893 20 0 EDADLP CC[NH+](CCOC)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844685858 595372818 /nfs/dbraw/zinc/37/28/18/595372818.db2.gz GCPBMNPBTVTWNZ-OALUTQOASA-N 2 2 345.487 1.893 20 0 EDADLP CC[NH+](CCOC)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844685858 595372822 /nfs/dbraw/zinc/37/28/22/595372822.db2.gz GCPBMNPBTVTWNZ-OALUTQOASA-N 2 2 345.487 1.893 20 0 EDADLP CC(C)(C)OC(=O)N1CC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000848530864 595403046 /nfs/dbraw/zinc/40/30/46/595403046.db2.gz HUAMZNIMYQJLOF-OAHLLOKOSA-N 2 2 325.453 1.449 20 0 EDADLP C[C@H]1C[N@H+](CCOC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000848776496 595445297 /nfs/dbraw/zinc/44/52/97/595445297.db2.gz ITOKUWGPKBVFDE-FUHWJXTLSA-N 2 2 332.444 1.772 20 0 EDADLP C[C@H]1C[N@@H+](CCOC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000848776496 595445298 /nfs/dbraw/zinc/44/52/98/595445298.db2.gz ITOKUWGPKBVFDE-FUHWJXTLSA-N 2 2 332.444 1.772 20 0 EDADLP C[C@H]1C[NH+](CCOC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000848776496 595445301 /nfs/dbraw/zinc/44/53/01/595445301.db2.gz ITOKUWGPKBVFDE-FUHWJXTLSA-N 2 2 332.444 1.772 20 0 EDADLP C[C@H]1C[NH+](CCOC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000848776496 595445302 /nfs/dbraw/zinc/44/53/02/595445302.db2.gz ITOKUWGPKBVFDE-FUHWJXTLSA-N 2 2 332.444 1.772 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845462545 595501819 /nfs/dbraw/zinc/50/18/19/595501819.db2.gz LDBQPRWCPCEXKO-GFCCVEGCSA-N 2 2 339.440 1.213 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccn1 ZINC000853098439 595664329 /nfs/dbraw/zinc/66/43/29/595664329.db2.gz JFZUVGAPTRQVDI-LJQANCHMSA-N 2 2 327.428 1.737 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCn4c[nH+]cc43)CC2)CC1 ZINC000857979327 595674242 /nfs/dbraw/zinc/67/42/42/595674242.db2.gz WBRKKTGYZNRPGP-KRWDZBQOSA-N 3 2 345.491 1.640 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)C1 ZINC000858328377 595766036 /nfs/dbraw/zinc/76/60/36/595766036.db2.gz KXVYMVKRWCYNBN-HZPDHXFCSA-N 2 2 346.475 1.200 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)n1C ZINC000850420315 595831321 /nfs/dbraw/zinc/83/13/21/595831321.db2.gz NACXSWAGNBKSKL-CYBMUJFWSA-N 2 2 328.338 1.727 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000851661221 595873047 /nfs/dbraw/zinc/87/30/47/595873047.db2.gz HBVYFPCOPLWVDZ-XHSDSOJGSA-N 2 2 343.406 1.912 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801360 595928789 /nfs/dbraw/zinc/92/87/89/595928789.db2.gz HUCHEUFJVDCVJW-JKSUJKDBSA-N 2 2 341.496 1.896 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801360 595928791 /nfs/dbraw/zinc/92/87/91/595928791.db2.gz HUCHEUFJVDCVJW-JKSUJKDBSA-N 2 2 341.496 1.896 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801360 595928794 /nfs/dbraw/zinc/92/87/94/595928794.db2.gz HUCHEUFJVDCVJW-JKSUJKDBSA-N 2 2 341.496 1.896 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801360 595928795 /nfs/dbraw/zinc/92/87/95/595928795.db2.gz HUCHEUFJVDCVJW-JKSUJKDBSA-N 2 2 341.496 1.896 20 0 EDADLP CC(C)[NH2+]Cc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000854145507 595989609 /nfs/dbraw/zinc/98/96/09/595989609.db2.gz TTWGCVVVYIIZHJ-UHFFFAOYSA-N 2 2 343.431 1.622 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000852044458 596020800 /nfs/dbraw/zinc/02/08/00/596020800.db2.gz QCGVCVCZPYSVPF-MRXNPFEDSA-N 2 2 330.469 1.197 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861551355 596027042 /nfs/dbraw/zinc/02/70/42/596027042.db2.gz NFHWCGREFXPPLA-CQSZACIVSA-N 2 2 326.404 1.351 20 0 EDADLP O=C1O[C@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CN1c1ccccc1 ZINC000852708105 596231457 /nfs/dbraw/zinc/23/14/57/596231457.db2.gz QQCOGELCOZQXIL-ZWKOTPCHSA-N 2 2 345.443 1.543 20 0 EDADLP O=C1O[C@H](C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CN1c1ccccc1 ZINC000852708105 596231460 /nfs/dbraw/zinc/23/14/60/596231460.db2.gz QQCOGELCOZQXIL-ZWKOTPCHSA-N 2 2 345.443 1.543 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852745122 596237352 /nfs/dbraw/zinc/23/73/52/596237352.db2.gz NHCCZTVDDFVQGY-SFHVURJKSA-N 2 2 335.492 1.365 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852745122 596237353 /nfs/dbraw/zinc/23/73/53/596237353.db2.gz NHCCZTVDDFVQGY-SFHVURJKSA-N 2 2 335.492 1.365 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1)c1ccco1 ZINC000864510977 596252818 /nfs/dbraw/zinc/25/28/18/596252818.db2.gz KJDMNVDEXHBZQR-OLZOCXBDSA-N 2 2 329.391 1.976 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1)c1ccco1 ZINC000864510977 596252820 /nfs/dbraw/zinc/25/28/20/596252820.db2.gz KJDMNVDEXHBZQR-OLZOCXBDSA-N 2 2 329.391 1.976 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C\C3CCOCC3)c2)CC1 ZINC000870666658 596316050 /nfs/dbraw/zinc/31/60/50/596316050.db2.gz CTRVLAGRQCNICY-IHWYPQMZSA-N 2 2 330.432 1.755 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)cc2oc1=O ZINC000862504722 596338498 /nfs/dbraw/zinc/33/84/98/596338498.db2.gz MCEHXXYRLLQSBU-UHFFFAOYSA-N 2 2 345.443 1.818 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000870854479 596378251 /nfs/dbraw/zinc/37/82/51/596378251.db2.gz GFJFMGMGIKYSPH-KSZLIROESA-N 2 2 331.460 1.521 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000870854479 596378256 /nfs/dbraw/zinc/37/82/56/596378256.db2.gz GFJFMGMGIKYSPH-KSZLIROESA-N 2 2 331.460 1.521 20 0 EDADLP CC(C)(C)C1=CC[N@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000867495612 596397260 /nfs/dbraw/zinc/39/72/60/596397260.db2.gz IUWVTGWQRGVLHU-PLNGDYQASA-N 2 2 335.492 1.669 20 0 EDADLP CC(C)(C)C1=CC[N@@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000867495612 596397265 /nfs/dbraw/zinc/39/72/65/596397265.db2.gz IUWVTGWQRGVLHU-PLNGDYQASA-N 2 2 335.492 1.669 20 0 EDADLP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)/C=C\C[NH+]3CCOCC3)C2)c1 ZINC000870909260 596399725 /nfs/dbraw/zinc/39/97/25/596399725.db2.gz BSAXCLJIZUMUDL-WSGSOLELSA-N 2 2 343.471 1.574 20 0 EDADLP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)/C=C\C[NH+]3CCOCC3)C2)c1 ZINC000870909260 596399729 /nfs/dbraw/zinc/39/97/29/596399729.db2.gz BSAXCLJIZUMUDL-WSGSOLELSA-N 2 2 343.471 1.574 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCOCC2)cc1 ZINC000862756030 596405912 /nfs/dbraw/zinc/40/59/12/596405912.db2.gz NWGFHRSEWPXXCK-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCOCC2)cc1 ZINC000862756030 596405913 /nfs/dbraw/zinc/40/59/13/596405913.db2.gz NWGFHRSEWPXXCK-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870959102 596418726 /nfs/dbraw/zinc/41/87/26/596418726.db2.gz UACSUPLHVMTXEX-UHFFFAOYSA-N 2 2 340.512 1.070 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870959102 596418729 /nfs/dbraw/zinc/41/87/29/596418729.db2.gz UACSUPLHVMTXEX-UHFFFAOYSA-N 2 2 340.512 1.070 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CCCCC[NH3+])C2)cc1 ZINC000870979007 596425670 /nfs/dbraw/zinc/42/56/70/596425670.db2.gz FSJZUFIKPLZERB-GOSISDBHSA-N 2 2 333.476 1.831 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CCCCC[NH3+])C2)cc1 ZINC000870979007 596425672 /nfs/dbraw/zinc/42/56/72/596425672.db2.gz FSJZUFIKPLZERB-GOSISDBHSA-N 2 2 333.476 1.831 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)CC2)CC1 ZINC000870981722 596428384 /nfs/dbraw/zinc/42/83/84/596428384.db2.gz QWMDEEOHBMWECJ-IBGZPJMESA-N 2 2 342.487 1.112 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867793924 596553171 /nfs/dbraw/zinc/55/31/71/596553171.db2.gz MIEUEBLZHOXLLU-KRWDZBQOSA-N 2 2 337.489 1.578 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867793924 596553174 /nfs/dbraw/zinc/55/31/74/596553174.db2.gz MIEUEBLZHOXLLU-KRWDZBQOSA-N 2 2 337.489 1.578 20 0 EDADLP O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000867831970 596576965 /nfs/dbraw/zinc/57/69/65/596576965.db2.gz COSXTUHTUBHBAL-LBPRGKRZSA-N 2 2 327.379 1.035 20 0 EDADLP O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000867831970 596576970 /nfs/dbraw/zinc/57/69/70/596576970.db2.gz COSXTUHTUBHBAL-LBPRGKRZSA-N 2 2 327.379 1.035 20 0 EDADLP Fc1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cnc1Cl ZINC000865465762 596583396 /nfs/dbraw/zinc/58/33/96/596583396.db2.gz JJEOQZZZUNFOAQ-CQSZACIVSA-N 2 2 342.846 1.370 20 0 EDADLP COCC[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)NC(=O)OC(C)(C)C ZINC000865532893 596602498 /nfs/dbraw/zinc/60/24/98/596602498.db2.gz RBTYYBMSSUTONY-ZIAGYGMSSA-N 2 2 338.452 1.717 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000869763612 596622484 /nfs/dbraw/zinc/62/24/84/596622484.db2.gz YOVKBDYMVGBTDD-MRXNPFEDSA-N 2 2 334.464 1.262 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C2)c1 ZINC000867997870 596648632 /nfs/dbraw/zinc/64/86/32/596648632.db2.gz LGLKLPYQPHOQSU-QRQLOZEOSA-N 2 2 347.503 1.931 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C2)c1 ZINC000867997870 596648636 /nfs/dbraw/zinc/64/86/36/596648636.db2.gz LGLKLPYQPHOQSU-QRQLOZEOSA-N 2 2 347.503 1.931 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)s1 ZINC000865682847 596649086 /nfs/dbraw/zinc/64/90/86/596649086.db2.gz RJHUSGCILTWAFW-SNVBAGLBSA-N 2 2 334.371 1.689 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000868002636 596651060 /nfs/dbraw/zinc/65/10/60/596651060.db2.gz XYIGINYMGVTJHL-JIGZGPPQSA-N 2 2 335.492 1.788 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000868002636 596651062 /nfs/dbraw/zinc/65/10/62/596651062.db2.gz XYIGINYMGVTJHL-JIGZGPPQSA-N 2 2 335.492 1.788 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000865749021 596669697 /nfs/dbraw/zinc/66/96/97/596669697.db2.gz MWIBMYDRXHNNLY-WMZOPIPTSA-N 2 2 343.471 1.665 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000865749021 596669700 /nfs/dbraw/zinc/66/97/00/596669700.db2.gz MWIBMYDRXHNNLY-WMZOPIPTSA-N 2 2 343.471 1.665 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3C)CCO2)C1 ZINC000865758782 596672604 /nfs/dbraw/zinc/67/26/04/596672604.db2.gz OAKLLNSJIKKFHG-VQTJNVASSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3C)CCO2)C1 ZINC000865758782 596672607 /nfs/dbraw/zinc/67/26/07/596672607.db2.gz OAKLLNSJIKKFHG-VQTJNVASSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)C1 ZINC000865758782 596672609 /nfs/dbraw/zinc/67/26/09/596672609.db2.gz OAKLLNSJIKKFHG-VQTJNVASSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)C1 ZINC000865758782 596672611 /nfs/dbraw/zinc/67/26/11/596672611.db2.gz OAKLLNSJIKKFHG-VQTJNVASSA-N 2 2 347.503 1.506 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000871760437 596687696 /nfs/dbraw/zinc/68/76/96/596687696.db2.gz LPPLBEOBBIPRKM-KRWDZBQOSA-N 2 2 334.464 1.981 20 0 EDADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000865841861 596700249 /nfs/dbraw/zinc/70/02/49/596700249.db2.gz APBFEQBGLUMFGT-KRWDZBQOSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)C[C@](C)(O)C3CC3)CC2)S1 ZINC000863968897 596737727 /nfs/dbraw/zinc/73/77/27/596737727.db2.gz QEVVZHKFMBQMNQ-XPKDYRNWSA-N 2 2 327.494 1.007 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870092604 596746957 /nfs/dbraw/zinc/74/69/57/596746957.db2.gz ISZUDLUXJGGGCL-QGZVFWFLSA-N 2 2 340.427 1.641 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000868281956 596762395 /nfs/dbraw/zinc/76/23/95/596762395.db2.gz QPSFLMYKCSEZGC-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000868281956 596762398 /nfs/dbraw/zinc/76/23/98/596762398.db2.gz QPSFLMYKCSEZGC-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)[nH+]c12 ZINC000868330993 596788993 /nfs/dbraw/zinc/78/89/93/596788993.db2.gz PMPWOQKPTJIZAS-RDJZCZTQSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)[nH+]c12 ZINC000868330993 596788995 /nfs/dbraw/zinc/78/89/95/596788995.db2.gz PMPWOQKPTJIZAS-RDJZCZTQSA-N 2 2 341.459 1.921 20 0 EDADLP C(c1nc2c(o1)CCCC2)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000872143747 596809055 /nfs/dbraw/zinc/80/90/55/596809055.db2.gz XDLNPBYFQJEVCP-UHFFFAOYSA-N 2 2 342.447 1.628 20 0 EDADLP CN(Cc1ccccc1F)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147359 596810830 /nfs/dbraw/zinc/81/08/30/596810830.db2.gz IGRHUBBUXLVFBI-CHWSQXEVSA-N 2 2 347.356 1.853 20 0 EDADLP CN(Cc1ccccc1F)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147359 596810834 /nfs/dbraw/zinc/81/08/34/596810834.db2.gz IGRHUBBUXLVFBI-CHWSQXEVSA-N 2 2 347.356 1.853 20 0 EDADLP Cc1csc2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc(=O)n12 ZINC000872148137 596812108 /nfs/dbraw/zinc/81/21/08/596812108.db2.gz NSDCQWDHUZUPNN-MWLCHTKSSA-N 2 2 346.378 1.633 20 0 EDADLP Cc1csc2nc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc(=O)n12 ZINC000872148137 596812110 /nfs/dbraw/zinc/81/21/10/596812110.db2.gz NSDCQWDHUZUPNN-MWLCHTKSSA-N 2 2 346.378 1.633 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C2 ZINC000872153223 596814027 /nfs/dbraw/zinc/81/40/27/596814027.db2.gz CNISDQWHUMTKOU-WMLDXEAASA-N 2 2 338.473 1.400 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C2 ZINC000872153223 596814028 /nfs/dbraw/zinc/81/40/28/596814028.db2.gz CNISDQWHUMTKOU-WMLDXEAASA-N 2 2 338.473 1.400 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC000872154363 596815070 /nfs/dbraw/zinc/81/50/70/596815070.db2.gz YGTJFCAAEBONIR-HNAYVOBHSA-N 2 2 346.450 1.016 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC000872154363 596815072 /nfs/dbraw/zinc/81/50/72/596815072.db2.gz YGTJFCAAEBONIR-HNAYVOBHSA-N 2 2 346.450 1.016 20 0 EDADLP COC[C@]1(c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)CCCC[NH2+]1 ZINC000872173092 596819868 /nfs/dbraw/zinc/81/98/68/596819868.db2.gz QRTLTXQZCBFRKQ-KRWDZBQOSA-N 2 2 340.387 1.933 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)nc[nH+]2)C1 ZINC000866208507 596827449 /nfs/dbraw/zinc/82/74/49/596827449.db2.gz MRMYXAWNYXMYEX-ZJIFWQFVSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)nc[nH+]2)C1 ZINC000866208507 596827452 /nfs/dbraw/zinc/82/74/52/596827452.db2.gz MRMYXAWNYXMYEX-ZJIFWQFVSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)[nH+]cn2)C1 ZINC000866208507 596827455 /nfs/dbraw/zinc/82/74/55/596827455.db2.gz MRMYXAWNYXMYEX-ZJIFWQFVSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)[nH+]cn2)C1 ZINC000866208507 596827459 /nfs/dbraw/zinc/82/74/59/596827459.db2.gz MRMYXAWNYXMYEX-ZJIFWQFVSA-N 2 2 331.464 1.214 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCC[C@@H]3CCOC3=O)c2cc1C ZINC000872244476 596851969 /nfs/dbraw/zinc/85/19/69/596851969.db2.gz LRALYNQVWYNDDI-HZPDHXFCSA-N 2 2 345.443 1.947 20 0 EDADLP C(C[C@@H]1CCCS1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000866479113 596891856 /nfs/dbraw/zinc/89/18/56/596891856.db2.gz PMMQRDTWMUCQGJ-KRWDZBQOSA-N 2 2 327.538 1.658 20 0 EDADLP C(C[C@@H]1CCCS1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000866479113 596891857 /nfs/dbraw/zinc/89/18/57/596891857.db2.gz PMMQRDTWMUCQGJ-KRWDZBQOSA-N 2 2 327.538 1.658 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[NH+]3CCCC3)c[nH+]2)C[C@@H](C)O1 ZINC000874041924 596905501 /nfs/dbraw/zinc/90/55/01/596905501.db2.gz MMFRGCHOPCYFMO-HUUCEWRRSA-N 2 2 332.448 1.407 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CN1C[C@H]2CCCCN2C1=O ZINC000872593022 596980335 /nfs/dbraw/zinc/98/03/35/596980335.db2.gz VBHIEPDZJRUWBL-VQHPVUNQSA-N 2 2 336.480 1.418 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CN1C[C@H]2CCCCN2C1=O ZINC000872593022 596980337 /nfs/dbraw/zinc/98/03/37/596980337.db2.gz VBHIEPDZJRUWBL-VQHPVUNQSA-N 2 2 336.480 1.418 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000874243607 596983186 /nfs/dbraw/zinc/98/31/86/596983186.db2.gz KSZYOWIEQLIUAR-INIZCTEOSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000874243607 596983190 /nfs/dbraw/zinc/98/31/90/596983190.db2.gz KSZYOWIEQLIUAR-INIZCTEOSA-N 2 2 325.416 1.900 20 0 EDADLP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1c2ccccc2n(C)c1=O ZINC000872631979 597000940 /nfs/dbraw/zinc/00/09/40/597000940.db2.gz PMKOFWABUIVALF-UHFFFAOYSA-N 2 2 346.475 1.588 20 0 EDADLP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1c2ccccc2n(C)c1=O ZINC000872631979 597000942 /nfs/dbraw/zinc/00/09/42/597000942.db2.gz PMKOFWABUIVALF-UHFFFAOYSA-N 2 2 346.475 1.588 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[C@H]2CC(C)(C)CO2)CC1 ZINC000888683554 597011765 /nfs/dbraw/zinc/01/17/65/597011765.db2.gz MTZSVXYTDRGAEC-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP COC(=O)c1nn(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c2ccccc21 ZINC000872722619 597045507 /nfs/dbraw/zinc/04/55/07/597045507.db2.gz FXPFHRRBPLUSTQ-HIFRSBDPSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1nn(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)c2ccccc21 ZINC000872722619 597045509 /nfs/dbraw/zinc/04/55/09/597045509.db2.gz FXPFHRRBPLUSTQ-HIFRSBDPSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1nn(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c2ccccc21 ZINC000872722619 597045512 /nfs/dbraw/zinc/04/55/12/597045512.db2.gz FXPFHRRBPLUSTQ-HIFRSBDPSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1nn(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)c2ccccc21 ZINC000872722619 597045515 /nfs/dbraw/zinc/04/55/15/597045515.db2.gz FXPFHRRBPLUSTQ-HIFRSBDPSA-N 2 2 328.416 1.806 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000876205049 597134833 /nfs/dbraw/zinc/13/48/33/597134833.db2.gz RKTXQMOLPNBQTE-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000876205049 597134836 /nfs/dbraw/zinc/13/48/36/597134836.db2.gz RKTXQMOLPNBQTE-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP O=S(=O)(C1CC1)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873213195 597229835 /nfs/dbraw/zinc/22/98/35/597229835.db2.gz ZAXZVNJJOKWSAA-UHFFFAOYSA-N 2 2 341.502 1.004 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1C(F)(F)F ZINC000873310388 597253136 /nfs/dbraw/zinc/25/31/36/597253136.db2.gz UTWDBTMPPMDRQC-KOLCDFICSA-N 2 2 327.310 1.935 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875075091 597271818 /nfs/dbraw/zinc/27/18/18/597271818.db2.gz VUZQGCKCOIFDDL-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H]1COCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000876752588 597322217 /nfs/dbraw/zinc/32/22/17/597322217.db2.gz UEGRDCGJRXWWRK-KRWDZBQOSA-N 2 2 334.460 1.866 20 0 EDADLP C[C@@H]1COCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000876752588 597322223 /nfs/dbraw/zinc/32/22/23/597322223.db2.gz UEGRDCGJRXWWRK-KRWDZBQOSA-N 2 2 334.460 1.866 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](F)[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000876755157 597323895 /nfs/dbraw/zinc/32/38/95/597323895.db2.gz RZFSDBXPFOLRTG-YXJHDRRASA-N 2 2 349.450 1.848 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[nH]c1C ZINC000877030603 597416635 /nfs/dbraw/zinc/41/66/35/597416635.db2.gz GQHTVGFCGKBVAA-INIZCTEOSA-N 2 2 335.448 1.843 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)C2)c1 ZINC000877248303 597479084 /nfs/dbraw/zinc/47/90/84/597479084.db2.gz JSOKNPYHUWIOHU-KURKYZTESA-N 2 2 345.487 1.685 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)C2)c1 ZINC000877248303 597479086 /nfs/dbraw/zinc/47/90/86/597479086.db2.gz JSOKNPYHUWIOHU-KURKYZTESA-N 2 2 345.487 1.685 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)C2)cc1 ZINC000877249971 597479666 /nfs/dbraw/zinc/47/96/66/597479666.db2.gz ZUAAJEYRBNGPJQ-QRQLOZEOSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)C2)cc1 ZINC000877249971 597479669 /nfs/dbraw/zinc/47/96/69/597479669.db2.gz ZUAAJEYRBNGPJQ-QRQLOZEOSA-N 2 2 345.487 1.700 20 0 EDADLP C[NH+](C)C[C@@H]1C[NH+](CCCNC(=O)OC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000877669697 597546518 /nfs/dbraw/zinc/54/65/18/597546518.db2.gz VRFNOKAXTHOIOT-HZPDHXFCSA-N 3 2 342.528 1.572 20 0 EDADLP O=S1(=O)C[C@H]2C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)CC[C@@H]2C1 ZINC000877793642 597557904 /nfs/dbraw/zinc/55/79/04/597557904.db2.gz PDIFQXJTXRWNFH-CHWSQXEVSA-N 2 2 337.470 1.800 20 0 EDADLP O=S1(=O)C[C@H]2C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)CC[C@@H]2C1 ZINC000877793642 597557905 /nfs/dbraw/zinc/55/79/05/597557905.db2.gz PDIFQXJTXRWNFH-CHWSQXEVSA-N 2 2 337.470 1.800 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878109187 597579236 /nfs/dbraw/zinc/57/92/36/597579236.db2.gz NHRKUOOOQZNCRY-KRWDZBQOSA-N 2 2 328.497 1.211 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878109187 597579237 /nfs/dbraw/zinc/57/92/37/597579237.db2.gz NHRKUOOOQZNCRY-KRWDZBQOSA-N 2 2 328.497 1.211 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000881464194 597627277 /nfs/dbraw/zinc/62/72/77/597627277.db2.gz LMXRLGNSBSYKQA-IRXDYDNUSA-N 2 2 341.496 1.007 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000881464194 597627281 /nfs/dbraw/zinc/62/72/81/597627281.db2.gz LMXRLGNSBSYKQA-IRXDYDNUSA-N 2 2 341.496 1.007 20 0 EDADLP C([C@@H]1CCC2(CCOCC2)O1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552342 597632935 /nfs/dbraw/zinc/63/29/35/597632935.db2.gz NZRVAIHGXVZYKS-MSOLQXFVSA-N 2 2 338.492 1.901 20 0 EDADLP C([C@@H]1CCC2(CCOCC2)O1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552342 597632937 /nfs/dbraw/zinc/63/29/37/597632937.db2.gz NZRVAIHGXVZYKS-MSOLQXFVSA-N 2 2 338.492 1.901 20 0 EDADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000879583376 597643903 /nfs/dbraw/zinc/64/39/03/597643903.db2.gz YHATZWDLCJVMDN-OALUTQOASA-N 2 2 327.472 1.987 20 0 EDADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000879583376 597643904 /nfs/dbraw/zinc/64/39/04/597643904.db2.gz YHATZWDLCJVMDN-OALUTQOASA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000879583376 597643907 /nfs/dbraw/zinc/64/39/07/597643907.db2.gz YHATZWDLCJVMDN-OALUTQOASA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000879583376 597643910 /nfs/dbraw/zinc/64/39/10/597643910.db2.gz YHATZWDLCJVMDN-OALUTQOASA-N 2 2 327.472 1.987 20 0 EDADLP COC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000883224992 597689071 /nfs/dbraw/zinc/68/90/71/597689071.db2.gz XFOKVEIKLWVMLW-XUVXKRRUSA-N 2 2 348.487 1.437 20 0 EDADLP COC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000883224992 597689073 /nfs/dbraw/zinc/68/90/73/597689073.db2.gz XFOKVEIKLWVMLW-XUVXKRRUSA-N 2 2 348.487 1.437 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)[C@@H](C)C1 ZINC000883307325 597711104 /nfs/dbraw/zinc/71/11/04/597711104.db2.gz QVWBVNKGGHRTCM-ULQDDVLXSA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)[C@@H](C)C1 ZINC000883307325 597711107 /nfs/dbraw/zinc/71/11/07/597711107.db2.gz QVWBVNKGGHRTCM-ULQDDVLXSA-N 2 2 346.537 1.680 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883630959 597837933 /nfs/dbraw/zinc/83/79/33/597837933.db2.gz IEZCQZKPMZSTET-HZPDHXFCSA-N 2 2 347.463 1.141 20 0 EDADLP COc1cc(C[NH+]2CC=C[C@@H]2CO)cc(C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880493000 597946687 /nfs/dbraw/zinc/94/66/87/597946687.db2.gz XNLDLDZUUJSXAL-HDICACEKSA-N 2 2 330.428 1.161 20 0 EDADLP COc1cc(C[NH+]2CC=C[C@@H]2CO)cc(C[N@H+]2CC=C[C@H]2CO)c1 ZINC000880493000 597946688 /nfs/dbraw/zinc/94/66/88/597946688.db2.gz XNLDLDZUUJSXAL-HDICACEKSA-N 2 2 330.428 1.161 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)c3ncoc3C[NH3+])CC2)cc1 ZINC000884305676 598060363 /nfs/dbraw/zinc/06/03/63/598060363.db2.gz CUSUQVNYNGGION-UHFFFAOYSA-N 2 2 344.415 1.490 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)c3ncoc3C[NH3+])CC2)cc1 ZINC000884305676 598060367 /nfs/dbraw/zinc/06/03/67/598060367.db2.gz CUSUQVNYNGGION-UHFFFAOYSA-N 2 2 344.415 1.490 20 0 EDADLP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884405297 598095167 /nfs/dbraw/zinc/09/51/67/598095167.db2.gz MJSAMLRDKGSJPI-NVXWUHKLSA-N 2 2 343.427 1.236 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC(C)([NH+]4CCC4)CC3)nc[nH+]2)C1 ZINC000882962851 598118583 /nfs/dbraw/zinc/11/85/83/598118583.db2.gz GDYJSRUWJFGVDZ-HOTGVXAUSA-N 2 2 345.491 1.748 20 0 EDADLP CC[C@H]([NH3+])c1cn(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000881344292 598130519 /nfs/dbraw/zinc/13/05/19/598130519.db2.gz RZLAXSIQRSLGJE-ZDUSSCGKSA-N 2 2 338.456 1.241 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914247644 695309434 /nfs/dbraw/zinc/30/94/34/695309434.db2.gz CEGQYBOUHCQZLA-CABCVRRESA-N 2 2 337.493 1.461 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939856164 699994641 /nfs/dbraw/zinc/99/46/41/699994641.db2.gz JQTUUUULOQEZKQ-LRDDRELGSA-N 2 2 334.370 1.798 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)o1 ZINC000939856327 699995057 /nfs/dbraw/zinc/99/50/57/699995057.db2.gz KRCKEIOFMNAQRG-TZMCWYRMSA-N 2 2 331.420 1.379 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939856531 699995354 /nfs/dbraw/zinc/99/53/54/699995354.db2.gz NTNLYSZSZNKLBJ-WBMJQRKESA-N 2 2 334.370 1.798 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)o1 ZINC000992826144 695386419 /nfs/dbraw/zinc/38/64/19/695386419.db2.gz AKAQHIWHFPBTJR-IAOVAPTHSA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC000992831128 695394523 /nfs/dbraw/zinc/39/45/23/695394523.db2.gz HWSCVOHOMYSEGJ-JQHSSLGASA-N 2 2 339.443 1.764 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)cc[nH+]1 ZINC001060535433 695834160 /nfs/dbraw/zinc/83/41/60/695834160.db2.gz NXMBESJDOZXPRC-ARFHVFGLSA-N 2 2 329.448 1.530 20 0 EDADLP Cc1cc(C)n(CC[NH+]2CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)n1 ZINC001031253636 696023371 /nfs/dbraw/zinc/02/33/71/696023371.db2.gz IVENWEQDQGCNHP-FUHWJXTLSA-N 2 2 347.507 1.421 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000916882852 696805110 /nfs/dbraw/zinc/80/51/10/696805110.db2.gz LQXDHEMSUCGPGI-PQUAAJSLSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000916882852 696805112 /nfs/dbraw/zinc/80/51/12/696805112.db2.gz LQXDHEMSUCGPGI-PQUAAJSLSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994412406 696838523 /nfs/dbraw/zinc/83/85/23/696838523.db2.gz VERZXPSZSMAYLF-SJLPKXTDSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994412406 696838526 /nfs/dbraw/zinc/83/85/26/696838526.db2.gz VERZXPSZSMAYLF-SJLPKXTDSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994500958 696944804 /nfs/dbraw/zinc/94/48/04/696944804.db2.gz AJMNMTTWLOAZJP-CJNGLKHVSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994500958 696944808 /nfs/dbraw/zinc/94/48/08/696944808.db2.gz AJMNMTTWLOAZJP-CJNGLKHVSA-N 2 2 331.420 1.657 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1Cn1cccn1 ZINC000154353642 696998512 /nfs/dbraw/zinc/99/85/12/696998512.db2.gz XUXVKLYNZCBJRQ-RHSMWYFYSA-N 2 2 332.448 1.513 20 0 EDADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001031415369 697066157 /nfs/dbraw/zinc/06/61/57/697066157.db2.gz UVMVWAWHVZTDQX-ROUUACIJSA-N 2 2 331.460 1.659 20 0 EDADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001031415369 697066159 /nfs/dbraw/zinc/06/61/59/697066159.db2.gz UVMVWAWHVZTDQX-ROUUACIJSA-N 2 2 331.460 1.659 20 0 EDADLP Cc1noc([C@H]2CC[C@@H](C[NH2+]Cc3ncc(C[NH+](C)C)s3)O2)n1 ZINC000352727768 697329205 /nfs/dbraw/zinc/32/92/05/697329205.db2.gz YMLVILPXUWUKCN-WCQYABFASA-N 2 2 337.449 1.906 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](CC4CCOCC4)C3)ccn12 ZINC001031671499 697468450 /nfs/dbraw/zinc/46/84/50/697468450.db2.gz XWONCZJLYGHQJT-UHFFFAOYSA-N 2 2 342.443 1.731 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](C[C@@H]4CC[C@@H](C)O4)C3)ccn12 ZINC001031670953 697471390 /nfs/dbraw/zinc/47/13/90/697471390.db2.gz NNLCSDULIAELTH-PBHICJAKSA-N 2 2 342.443 1.872 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC2C[NH+](CCC3CC3)C2)[nH]n1 ZINC001031685511 697519126 /nfs/dbraw/zinc/51/91/26/697519126.db2.gz APZTUAQNPSFZRD-KRWDZBQOSA-N 2 2 331.464 1.638 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC2C[NH+](CCC3CC3)C2)[nH]n1 ZINC001031685511 697519127 /nfs/dbraw/zinc/51/91/27/697519127.db2.gz APZTUAQNPSFZRD-KRWDZBQOSA-N 2 2 331.464 1.638 20 0 EDADLP Cc1noc(CCC[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)n1 ZINC000943176291 697870624 /nfs/dbraw/zinc/87/06/24/697870624.db2.gz JMGHLLHEDGAXIC-WFASDCNBSA-N 2 2 346.435 1.103 20 0 EDADLP Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)n1 ZINC000943176291 697870628 /nfs/dbraw/zinc/87/06/28/697870628.db2.gz JMGHLLHEDGAXIC-WFASDCNBSA-N 2 2 346.435 1.103 20 0 EDADLP C[C@H]1C[N@H+](CCF)CC[C@@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943255893 698020799 /nfs/dbraw/zinc/02/07/99/698020799.db2.gz QIVIITOHLJQMFN-HOTGVXAUSA-N 2 2 341.471 1.428 20 0 EDADLP C[C@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943255893 698020801 /nfs/dbraw/zinc/02/08/01/698020801.db2.gz QIVIITOHLJQMFN-HOTGVXAUSA-N 2 2 341.471 1.428 20 0 EDADLP C[C@@H]1C[N@H+](CCF)CC[C@@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943255892 698020904 /nfs/dbraw/zinc/02/09/04/698020904.db2.gz QIVIITOHLJQMFN-CVEARBPZSA-N 2 2 341.471 1.428 20 0 EDADLP C[C@@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943255892 698020909 /nfs/dbraw/zinc/02/09/09/698020909.db2.gz QIVIITOHLJQMFN-CVEARBPZSA-N 2 2 341.471 1.428 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000943331972 698148042 /nfs/dbraw/zinc/14/80/42/698148042.db2.gz AYMWGZDSXSZKQZ-CJNGLKHVSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000943331972 698148048 /nfs/dbraw/zinc/14/80/48/698148048.db2.gz AYMWGZDSXSZKQZ-CJNGLKHVSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H](C)C2)n1 ZINC000943755564 698828998 /nfs/dbraw/zinc/82/89/98/698828998.db2.gz GMYPMSBKXNUPSK-GDBMZVCRSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H](C)C2)n1 ZINC000943755564 698829005 /nfs/dbraw/zinc/82/90/05/698829005.db2.gz GMYPMSBKXNUPSK-GDBMZVCRSA-N 2 2 349.479 1.437 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000995153464 701558734 /nfs/dbraw/zinc/55/87/34/701558734.db2.gz PQJSPMGBVJQGLH-TZMCWYRMSA-N 2 2 343.431 1.892 20 0 EDADLP Cn1cc(CC[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC001031773369 699115849 /nfs/dbraw/zinc/11/58/49/699115849.db2.gz UWLIMCJPHFAEKT-UHFFFAOYSA-N 2 2 338.415 1.201 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031774356 699145759 /nfs/dbraw/zinc/14/57/59/699145759.db2.gz YNNCHGVAKWBWDO-HNNXBMFYSA-N 2 2 336.867 1.767 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031774356 699145760 /nfs/dbraw/zinc/14/57/60/699145760.db2.gz YNNCHGVAKWBWDO-HNNXBMFYSA-N 2 2 336.867 1.767 20 0 EDADLP CC[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1)OC ZINC001031787135 699241639 /nfs/dbraw/zinc/24/16/39/699241639.db2.gz BFZGZSUZMCVHGG-GJZGRUSLSA-N 2 2 334.464 1.296 20 0 EDADLP CC[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1)OC ZINC001031787135 699241640 /nfs/dbraw/zinc/24/16/40/699241640.db2.gz BFZGZSUZMCVHGG-GJZGRUSLSA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1C[NH+](C[C@H]3CCCOC3)C1)C2 ZINC001031787777 699244763 /nfs/dbraw/zinc/24/47/63/699244763.db2.gz FOXDPMCOGFQABC-ZBFHGGJFSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1C[NH+](C[C@H]3CCCOC3)C1)CC2 ZINC001031787777 699244765 /nfs/dbraw/zinc/24/47/65/699244765.db2.gz FOXDPMCOGFQABC-ZBFHGGJFSA-N 2 2 346.475 1.298 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000939234291 699401291 /nfs/dbraw/zinc/40/12/91/699401291.db2.gz DHBMJYPIHMNYGP-CABCVRRESA-N 2 2 344.463 1.377 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000939408790 699563154 /nfs/dbraw/zinc/56/31/54/699563154.db2.gz QUQYUBAPHBNRSI-IAQYHMDHSA-N 2 2 334.370 1.867 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)c1 ZINC000939414278 699567338 /nfs/dbraw/zinc/56/73/38/699567338.db2.gz WSQMLYCOCDKRCY-CJNGLKHVSA-N 2 2 328.416 1.598 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000939541995 699683011 /nfs/dbraw/zinc/68/30/11/699683011.db2.gz QRWRLBPMDBVWGL-DOMZBBRYSA-N 2 2 345.422 1.858 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)o1 ZINC000939627193 699765028 /nfs/dbraw/zinc/76/50/28/699765028.db2.gz QWEUNRMSDYVNPH-IAQYHMDHSA-N 2 2 345.447 1.756 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939643305 699783548 /nfs/dbraw/zinc/78/35/48/699783548.db2.gz QSAJTVYWQLJVLV-MAUKXSAKSA-N 2 2 341.459 1.693 20 0 EDADLP COc1nscc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939754156 699904228 /nfs/dbraw/zinc/90/42/28/699904228.db2.gz LNUNPTOJQRUHRL-RISCZKNCSA-N 2 2 349.460 1.293 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nc(C2CCC2)no1 ZINC000939754649 699904864 /nfs/dbraw/zinc/90/48/64/699904864.db2.gz NZZIBDCVKUDPCA-ZFWWWQNUSA-N 2 2 347.463 1.369 20 0 EDADLP CC1([NH2+]C[C@@H]2CCCOC2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000940159388 700292145 /nfs/dbraw/zinc/29/21/45/700292145.db2.gz IBIAFLSMOGCXJL-ARFHVFGLSA-N 2 2 346.475 1.911 20 0 EDADLP CC1([NH2+]C[C@@H]2CCCOC2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000940159388 700292148 /nfs/dbraw/zinc/29/21/48/700292148.db2.gz IBIAFLSMOGCXJL-ARFHVFGLSA-N 2 2 346.475 1.911 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCN(C2C[NH+](CCC3CCCC3)C2)CC1 ZINC000941687130 701632563 /nfs/dbraw/zinc/63/25/63/701632563.db2.gz QFDMZGPJRSJEDL-UHFFFAOYSA-N 2 2 345.491 1.292 20 0 EDADLP CC1([NH2+]Cc2cscn2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243450 700404729 /nfs/dbraw/zinc/40/47/29/700404729.db2.gz PORBZEAIAAABSG-UHFFFAOYSA-N 2 2 333.461 1.901 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940371651 700554429 /nfs/dbraw/zinc/55/44/29/700554429.db2.gz SASPVESJQGIMAQ-CQSZACIVSA-N 2 2 344.463 1.493 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940371651 700554431 /nfs/dbraw/zinc/55/44/31/700554431.db2.gz SASPVESJQGIMAQ-CQSZACIVSA-N 2 2 344.463 1.493 20 0 EDADLP CC1(C)CO[C@H](C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000940397005 700593916 /nfs/dbraw/zinc/59/39/16/700593916.db2.gz DCHLDJZAPPSPJJ-AWEZNQCLSA-N 2 2 334.464 1.738 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482818 700670782 /nfs/dbraw/zinc/67/07/82/700670782.db2.gz TWSLVUAIRRMOGS-UHFFFAOYSA-N 2 2 345.447 1.913 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000995171111 701668408 /nfs/dbraw/zinc/66/84/08/701668408.db2.gz VHUSWWUJVZOESQ-LSDHHAIUSA-N 2 2 327.432 1.432 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnoc2C)CC1(C)C ZINC000940892246 700967347 /nfs/dbraw/zinc/96/73/47/700967347.db2.gz AOAJWWFHYSRBTR-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnoc2C)CC1(C)C ZINC000940892246 700967348 /nfs/dbraw/zinc/96/73/48/700967348.db2.gz AOAJWWFHYSRBTR-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995118199 701086454 /nfs/dbraw/zinc/08/64/54/701086454.db2.gz SHBHHRDYKZWXMR-DOMZBBRYSA-N 2 2 331.395 1.561 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941163987 701229187 /nfs/dbraw/zinc/22/91/87/701229187.db2.gz RDSIPVCTRAZWQA-GOEBONIOSA-N 2 2 334.464 1.733 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941163987 701229189 /nfs/dbraw/zinc/22/91/89/701229189.db2.gz RDSIPVCTRAZWQA-GOEBONIOSA-N 2 2 334.464 1.733 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941163987 701229192 /nfs/dbraw/zinc/22/91/92/701229192.db2.gz RDSIPVCTRAZWQA-GOEBONIOSA-N 2 2 334.464 1.733 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941163987 701229195 /nfs/dbraw/zinc/22/91/95/701229195.db2.gz RDSIPVCTRAZWQA-GOEBONIOSA-N 2 2 334.464 1.733 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995151191 701544563 /nfs/dbraw/zinc/54/45/63/701544563.db2.gz HATUUSPHELEXNI-SWLSCSKDSA-N 2 2 331.395 1.561 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](Cc2ccccn2)C1 ZINC001032131879 701857556 /nfs/dbraw/zinc/85/75/56/701857556.db2.gz DGMFGEHEIPOWNW-UHFFFAOYSA-N 2 2 325.416 1.404 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999194018 706627769 /nfs/dbraw/zinc/62/77/69/706627769.db2.gz KSCJJYKKSZALPK-HZSPNIEDSA-N 2 2 335.452 1.053 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999194018 706627770 /nfs/dbraw/zinc/62/77/70/706627770.db2.gz KSCJJYKKSZALPK-HZSPNIEDSA-N 2 2 335.452 1.053 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@@H]1C ZINC000944444081 702027714 /nfs/dbraw/zinc/02/77/14/702027714.db2.gz IJFCQCHZUZHIAG-BLLLJJGKSA-N 2 2 342.447 1.386 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@@H]1C ZINC000944444081 702027721 /nfs/dbraw/zinc/02/77/21/702027721.db2.gz IJFCQCHZUZHIAG-BLLLJJGKSA-N 2 2 342.447 1.386 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001032205131 702047176 /nfs/dbraw/zinc/04/71/76/702047176.db2.gz PCHCQVMVAMSYPT-UHFFFAOYSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2(C)C)n1 ZINC000995791137 702084636 /nfs/dbraw/zinc/08/46/36/702084636.db2.gz CBNMJECMXDFKAW-CABCVRRESA-N 2 2 349.479 1.577 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2(C)C)n1 ZINC000995791137 702084644 /nfs/dbraw/zinc/08/46/44/702084644.db2.gz CBNMJECMXDFKAW-CABCVRRESA-N 2 2 349.479 1.577 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2nccnc2C)C1 ZINC001032206005 702121895 /nfs/dbraw/zinc/12/18/95/702121895.db2.gz PBMPCSQIOKKIOI-KRWDZBQOSA-N 2 2 331.464 1.207 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2nccnc2C)C1 ZINC001032206005 702121899 /nfs/dbraw/zinc/12/18/99/702121899.db2.gz PBMPCSQIOKKIOI-KRWDZBQOSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000995188949 702196264 /nfs/dbraw/zinc/19/62/64/702196264.db2.gz ZGZXHLPMSSHZOG-CABCVRRESA-N 2 2 327.432 1.730 20 0 EDADLP C[C@H]1C[N@H+](Cc2cncs2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097753 702264262 /nfs/dbraw/zinc/26/42/62/702264262.db2.gz KOQCVCNRHJOHQZ-WFASDCNBSA-N 2 2 333.461 1.446 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cncs2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097753 702264267 /nfs/dbraw/zinc/26/42/67/702264267.db2.gz KOQCVCNRHJOHQZ-WFASDCNBSA-N 2 2 333.461 1.446 20 0 EDADLP Cc1cncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)c1 ZINC000944099251 702269288 /nfs/dbraw/zinc/26/92/88/702269288.db2.gz QNVGLVSVSKPTJL-CRAIPNDOSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1cncc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)c1 ZINC000944099251 702269294 /nfs/dbraw/zinc/26/92/94/702269294.db2.gz QNVGLVSVSKPTJL-CRAIPNDOSA-N 2 2 341.459 1.693 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000995982966 702343020 /nfs/dbraw/zinc/34/30/20/702343020.db2.gz RCAQMABLZGPIES-STQMWFEESA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000995982966 702343028 /nfs/dbraw/zinc/34/30/28/702343028.db2.gz RCAQMABLZGPIES-STQMWFEESA-N 2 2 337.493 1.349 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944152868 702439849 /nfs/dbraw/zinc/43/98/49/702439849.db2.gz DWWQYGARIXJDRK-ZBFHGGJFSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944152868 702439851 /nfs/dbraw/zinc/43/98/51/702439851.db2.gz DWWQYGARIXJDRK-ZBFHGGJFSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)s1 ZINC000944153671 702442205 /nfs/dbraw/zinc/44/22/05/702442205.db2.gz JFCTXJYUGACTDB-OCCSQVGLSA-N 2 2 349.504 1.269 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)s1 ZINC000944153671 702442207 /nfs/dbraw/zinc/44/22/07/702442207.db2.gz JFCTXJYUGACTDB-OCCSQVGLSA-N 2 2 349.504 1.269 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)no1 ZINC000996043593 702461094 /nfs/dbraw/zinc/46/10/94/702461094.db2.gz OHQWBCYGYCDNNW-OAHLLOKOSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996106173 702567340 /nfs/dbraw/zinc/56/73/40/702567340.db2.gz NKBBOHBQJOXMEN-MRXNPFEDSA-N 2 2 342.447 1.398 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942173160 702683903 /nfs/dbraw/zinc/68/39/03/702683903.db2.gz OJRXIGAOCQGDMK-GDBMZVCRSA-N 2 2 347.463 1.272 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942173160 702683904 /nfs/dbraw/zinc/68/39/04/702683904.db2.gz OJRXIGAOCQGDMK-GDBMZVCRSA-N 2 2 347.463 1.272 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)n1 ZINC000996300405 702691962 /nfs/dbraw/zinc/69/19/62/702691962.db2.gz LSFVOGOYAAYCJC-JSGCOSHPSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)n1 ZINC000996300405 702691963 /nfs/dbraw/zinc/69/19/63/702691963.db2.gz LSFVOGOYAAYCJC-JSGCOSHPSA-N 2 2 335.452 1.046 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000996354399 702732045 /nfs/dbraw/zinc/73/20/45/702732045.db2.gz HJXYAFPIIDALTO-CABCVRRESA-N 2 2 334.464 1.594 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000996354918 702732788 /nfs/dbraw/zinc/73/27/88/702732788.db2.gz JICWCDJDNZANMM-AVVWSFFYSA-N 2 2 334.464 1.594 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC2(C)C)n1 ZINC000996450223 702795616 /nfs/dbraw/zinc/79/56/16/702795616.db2.gz SMRNKTYKENECFD-HNNXBMFYSA-N 2 2 349.479 1.437 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942304484 702812218 /nfs/dbraw/zinc/81/22/18/702812218.db2.gz PZSAWBJJDLSIII-LRDDRELGSA-N 2 2 340.387 1.358 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942304484 702812221 /nfs/dbraw/zinc/81/22/21/702812221.db2.gz PZSAWBJJDLSIII-LRDDRELGSA-N 2 2 340.387 1.358 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996512088 702831358 /nfs/dbraw/zinc/83/13/58/702831358.db2.gz AOGYAUPFPMTFTR-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996512088 702831360 /nfs/dbraw/zinc/83/13/60/702831360.db2.gz AOGYAUPFPMTFTR-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000996526793 702843056 /nfs/dbraw/zinc/84/30/56/702843056.db2.gz UCNJUHRZNJDJKX-INIZCTEOSA-N 2 2 343.431 1.776 20 0 EDADLP CCc1nc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC000995231429 702843814 /nfs/dbraw/zinc/84/38/14/702843814.db2.gz BELYENLGBAYDGF-CABCVRRESA-N 2 2 345.447 1.817 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)cn1 ZINC000996514982 702850436 /nfs/dbraw/zinc/85/04/36/702850436.db2.gz OUGVWHXOFYMEAR-INIZCTEOSA-N 2 2 342.447 1.088 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000996561680 702875402 /nfs/dbraw/zinc/87/54/02/702875402.db2.gz IPKQNAUERQRKBQ-HNNXBMFYSA-N 2 2 347.488 1.786 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)C(C)(C)C1 ZINC000996576808 702889946 /nfs/dbraw/zinc/88/99/46/702889946.db2.gz XWHZKSOCUFZMMW-IAGOWNOFSA-N 2 2 348.491 1.748 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996610058 702920991 /nfs/dbraw/zinc/92/09/91/702920991.db2.gz JGLVMKDGUFXPNB-KGLIPLIRSA-N 2 2 349.479 1.471 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996610058 702920993 /nfs/dbraw/zinc/92/09/93/702920993.db2.gz JGLVMKDGUFXPNB-KGLIPLIRSA-N 2 2 349.479 1.471 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)oc1C ZINC000996621416 702927453 /nfs/dbraw/zinc/92/74/53/702927453.db2.gz LKNFHHZVOVRDQT-HNNXBMFYSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1cncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000995248455 702967328 /nfs/dbraw/zinc/96/73/28/702967328.db2.gz KRGJIFKCQRZTIT-DOTOQJQBSA-N 2 2 327.432 1.661 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)n1 ZINC000996714354 703009299 /nfs/dbraw/zinc/00/92/99/703009299.db2.gz KPWINWNPKOPNEP-HNNXBMFYSA-N 2 2 343.431 1.314 20 0 EDADLP CC[C@H](C(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1)[NH+](C)C ZINC000996720555 703014061 /nfs/dbraw/zinc/01/40/61/703014061.db2.gz UUDKEAKUYPVTMF-CQSZACIVSA-N 2 2 335.452 1.368 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996728624 703023586 /nfs/dbraw/zinc/02/35/86/703023586.db2.gz CEJZJKOXAOPUCW-MRXNPFEDSA-N 2 2 339.443 1.621 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996729544 703026345 /nfs/dbraw/zinc/02/63/45/703026345.db2.gz DQZXRTGIROIPKI-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1ccc(C[NH2+]C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)n1 ZINC000996729961 703026677 /nfs/dbraw/zinc/02/66/77/703026677.db2.gz PSFLDPFWIOMRMA-UHFFFAOYSA-N 2 2 338.415 1.691 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)ncn1 ZINC000996833428 703115973 /nfs/dbraw/zinc/11/59/73/703115973.db2.gz IICDTHBPLJPTHX-UHFFFAOYSA-N 2 2 342.447 1.232 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996854026 703132696 /nfs/dbraw/zinc/13/26/96/703132696.db2.gz FHRQBQPTBAOZBK-VXGBXAGGSA-N 2 2 330.354 1.589 20 0 EDADLP Cc1ncsc1C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996858367 703142445 /nfs/dbraw/zinc/14/24/45/703142445.db2.gz HKOLPQLUBYADOT-UHFFFAOYSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)oc1C ZINC000996859249 703143043 /nfs/dbraw/zinc/14/30/43/703143043.db2.gz JXSAPJVOPROZRW-UHFFFAOYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000996861615 703144677 /nfs/dbraw/zinc/14/46/77/703144677.db2.gz ZKAMEWXCEGXCFN-UHFFFAOYSA-N 2 2 331.420 1.659 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997014466 703273848 /nfs/dbraw/zinc/27/38/48/703273848.db2.gz BCSHTSGTCLLNTB-HUUCEWRRSA-N 2 2 340.431 1.094 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)ccn1 ZINC000997039227 703290230 /nfs/dbraw/zinc/29/02/30/703290230.db2.gz BHCDSUCJZJCRNL-UHFFFAOYSA-N 2 2 329.404 1.137 20 0 EDADLP COc1cccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000997043581 703296182 /nfs/dbraw/zinc/29/61/82/703296182.db2.gz ZSJYBRFEGTXFLA-UHFFFAOYSA-N 2 2 328.416 1.742 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000997085627 703331209 /nfs/dbraw/zinc/33/12/09/703331209.db2.gz PQXGSVQRRWYCEY-GFCCVEGCSA-N 2 2 333.461 1.826 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000997085627 703331211 /nfs/dbraw/zinc/33/12/11/703331211.db2.gz PQXGSVQRRWYCEY-GFCCVEGCSA-N 2 2 333.461 1.826 20 0 EDADLP C[C@@H]1C[N@H+](CCF)CC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000942839334 703353194 /nfs/dbraw/zinc/35/31/94/703353194.db2.gz SCBBZYQZEGPKRL-UKRRQHHQSA-N 2 2 338.427 1.680 20 0 EDADLP C[C@@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000942839334 703353195 /nfs/dbraw/zinc/35/31/95/703353195.db2.gz SCBBZYQZEGPKRL-UKRRQHHQSA-N 2 2 338.427 1.680 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000997121250 703378536 /nfs/dbraw/zinc/37/85/36/703378536.db2.gz VECQAYPELUEFNY-UHFFFAOYSA-N 2 2 329.404 1.598 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)s1 ZINC000997128940 703387572 /nfs/dbraw/zinc/38/75/72/703387572.db2.gz WSIUZEHGUDTINI-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2oc(C)nc2C)CC[N@@H+]1C ZINC001032413817 703465587 /nfs/dbraw/zinc/46/55/87/703465587.db2.gz SFZZXVFZXKRIID-LUKYLMHMSA-N 2 2 346.475 1.807 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2oc(C)nc2C)CC[N@H+]1C ZINC001032413817 703465589 /nfs/dbraw/zinc/46/55/89/703465589.db2.gz SFZZXVFZXKRIID-LUKYLMHMSA-N 2 2 346.475 1.807 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2oc(C)nc2C)CC[NH+]1C ZINC001032413817 703465592 /nfs/dbraw/zinc/46/55/92/703465592.db2.gz SFZZXVFZXKRIID-LUKYLMHMSA-N 2 2 346.475 1.807 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2oc(C)nc2C)CC[NH+]1C ZINC001032413817 703465594 /nfs/dbraw/zinc/46/55/94/703465594.db2.gz SFZZXVFZXKRIID-LUKYLMHMSA-N 2 2 346.475 1.807 20 0 EDADLP Cc1ccnc(C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)n1 ZINC000997182334 703467602 /nfs/dbraw/zinc/46/76/02/703467602.db2.gz JEGYTKWVNHUKDX-UHFFFAOYSA-N 2 2 342.447 1.567 20 0 EDADLP Cc1nonc1C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997183100 703468252 /nfs/dbraw/zinc/46/82/52/703468252.db2.gz NWIZRHIZTRDHGY-UHFFFAOYSA-N 2 2 332.408 1.160 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997180651 703470886 /nfs/dbraw/zinc/47/08/86/703470886.db2.gz RVGPWBKZQLYBIZ-UHFFFAOYSA-N 2 2 345.447 1.602 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)O1 ZINC000997237923 703524690 /nfs/dbraw/zinc/52/46/90/703524690.db2.gz RFGYIVRJACJEND-YOEHRIQHSA-N 2 2 334.464 1.501 20 0 EDADLP Cc1ncccc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997238748 703525271 /nfs/dbraw/zinc/52/52/71/703525271.db2.gz WKKKQDAHEFLVQF-UHFFFAOYSA-N 2 2 341.459 1.837 20 0 EDADLP C[C@H](O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000997356664 703587614 /nfs/dbraw/zinc/58/76/14/703587614.db2.gz KVNUQMSVSJSUCP-ZDUSSCGKSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@H](O)C[NH2+]C1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000997356664 703587616 /nfs/dbraw/zinc/58/76/16/703587616.db2.gz KVNUQMSVSJSUCP-ZDUSSCGKSA-N 2 2 337.489 1.068 20 0 EDADLP Cc1oncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001032443321 703619741 /nfs/dbraw/zinc/61/97/41/703619741.db2.gz SFVRPZXZBBCYRM-SZMVWBNQSA-N 2 2 346.475 1.746 20 0 EDADLP Cc1oncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032443321 703619742 /nfs/dbraw/zinc/61/97/42/703619742.db2.gz SFVRPZXZBBCYRM-SZMVWBNQSA-N 2 2 346.475 1.746 20 0 EDADLP Cc1oncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032443321 703619743 /nfs/dbraw/zinc/61/97/43/703619743.db2.gz SFVRPZXZBBCYRM-SZMVWBNQSA-N 2 2 346.475 1.746 20 0 EDADLP Cc1oncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032443321 703619744 /nfs/dbraw/zinc/61/97/44/703619744.db2.gz SFVRPZXZBBCYRM-SZMVWBNQSA-N 2 2 346.475 1.746 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000997412569 703668303 /nfs/dbraw/zinc/66/83/03/703668303.db2.gz FUVBCEBDRKENLR-UHFFFAOYSA-N 2 2 339.852 1.774 20 0 EDADLP COc1cccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000997413913 703668491 /nfs/dbraw/zinc/66/84/91/703668491.db2.gz VHQTXPOSOYQPFA-UHFFFAOYSA-N 2 2 328.416 1.673 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001015995832 703675656 /nfs/dbraw/zinc/67/56/56/703675656.db2.gz APDAMDOSUHLSTH-STQMWFEESA-N 2 2 326.391 1.589 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001015995832 703675658 /nfs/dbraw/zinc/67/56/58/703675658.db2.gz APDAMDOSUHLSTH-STQMWFEESA-N 2 2 326.391 1.589 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C3CC[NH+](CCCO)CC3)ccn12 ZINC000997587256 703874687 /nfs/dbraw/zinc/87/46/87/703874687.db2.gz QAWRFPBAEPBCDU-HNNXBMFYSA-N 2 2 344.459 1.855 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995549162 703927365 /nfs/dbraw/zinc/92/73/65/703927365.db2.gz ABCSTFJODFEIBX-CHWSQXEVSA-N 2 2 335.452 1.053 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995549162 703927368 /nfs/dbraw/zinc/92/73/68/703927368.db2.gz ABCSTFJODFEIBX-CHWSQXEVSA-N 2 2 335.452 1.053 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001004207608 703967128 /nfs/dbraw/zinc/96/71/28/703967128.db2.gz HPWRLVLSFHUECL-BBRMVZONSA-N 2 2 349.479 1.894 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001004207608 703967130 /nfs/dbraw/zinc/96/71/30/703967130.db2.gz HPWRLVLSFHUECL-BBRMVZONSA-N 2 2 349.479 1.894 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032522008 703975716 /nfs/dbraw/zinc/97/57/16/703975716.db2.gz QFRFAKZKMVNAJL-GJZGRUSLSA-N 2 2 343.431 1.536 20 0 EDADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032522008 703975717 /nfs/dbraw/zinc/97/57/17/703975717.db2.gz QFRFAKZKMVNAJL-GJZGRUSLSA-N 2 2 343.431 1.536 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC001004257225 704084546 /nfs/dbraw/zinc/08/45/46/704084546.db2.gz JZGZYFWDFWAKQJ-UHFFFAOYSA-N 2 2 348.397 1.985 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001033079958 704143885 /nfs/dbraw/zinc/14/38/85/704143885.db2.gz AWWVWJHFNLRTOM-HOTGVXAUSA-N 2 2 348.516 1.826 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001033079958 704143888 /nfs/dbraw/zinc/14/38/88/704143888.db2.gz AWWVWJHFNLRTOM-HOTGVXAUSA-N 2 2 348.516 1.826 20 0 EDADLP CCc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)nc(C)[nH+]1 ZINC001061480182 704272271 /nfs/dbraw/zinc/27/22/71/704272271.db2.gz LIZVDGMQXMPMMA-IAGOWNOFSA-N 2 2 345.491 1.917 20 0 EDADLP CCc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)nc(C)[nH+]1 ZINC001061480182 704272274 /nfs/dbraw/zinc/27/22/74/704272274.db2.gz 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ZVWOCVNEVWHMOG-GBESFXJTSA-N 2 2 347.503 1.881 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CCCCC2)C1 ZINC001032587992 705126141 /nfs/dbraw/zinc/12/61/41/705126141.db2.gz ZVWOCVNEVWHMOG-GBESFXJTSA-N 2 2 347.503 1.881 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998042772 705238009 /nfs/dbraw/zinc/23/80/09/705238009.db2.gz AMVKOLMSZYWALC-HZPDHXFCSA-N 2 2 348.491 1.518 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998042772 705238013 /nfs/dbraw/zinc/23/80/13/705238013.db2.gz AMVKOLMSZYWALC-HZPDHXFCSA-N 2 2 348.491 1.518 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998042772 705238017 /nfs/dbraw/zinc/23/80/17/705238017.db2.gz AMVKOLMSZYWALC-HZPDHXFCSA-N 2 2 348.491 1.518 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998042772 705238018 /nfs/dbraw/zinc/23/80/18/705238018.db2.gz AMVKOLMSZYWALC-HZPDHXFCSA-N 2 2 348.491 1.518 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ZINC000999508976 707006269 /nfs/dbraw/zinc/00/62/69/707006269.db2.gz IBVVDBURPSADGJ-HUUCEWRRSA-N 2 2 347.463 1.512 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000999495931 707032592 /nfs/dbraw/zinc/03/25/92/707032592.db2.gz MQYVKTCUUPJTTB-DLBZAZTESA-N 2 2 347.459 1.782 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999534978 707035499 /nfs/dbraw/zinc/03/54/99/707035499.db2.gz IUFOUVQDQTVYFG-DLBZAZTESA-N 2 2 346.475 1.453 20 0 EDADLP COc1cc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)ccn1 ZINC000999606592 707120002 /nfs/dbraw/zinc/12/00/02/707120002.db2.gz ZGNLTJASNFZSPG-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946776730 707211457 /nfs/dbraw/zinc/21/14/57/707211457.db2.gz SBPFJFYEZKRWHG-CAOSSQGBSA-N 2 2 346.475 1.381 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946776730 707211463 /nfs/dbraw/zinc/21/14/63/707211463.db2.gz SBPFJFYEZKRWHG-CAOSSQGBSA-N 2 2 346.475 1.381 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]Cc2cscn2)C1 ZINC000999700474 707230078 /nfs/dbraw/zinc/23/00/78/707230078.db2.gz WAQNNDVKPNQQFJ-UHFFFAOYSA-N 2 2 333.461 1.923 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC000999728667 707271463 /nfs/dbraw/zinc/27/14/63/707271463.db2.gz SJPPEKDYYXFVSE-CQSZACIVSA-N 2 2 333.461 1.737 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC001033264295 707285273 /nfs/dbraw/zinc/28/52/73/707285273.db2.gz CBABZFQPHQEYDM-HNNXBMFYSA-N 2 2 347.488 1.998 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC001033264295 707285277 /nfs/dbraw/zinc/28/52/77/707285277.db2.gz CBABZFQPHQEYDM-HNNXBMFYSA-N 2 2 347.488 1.998 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033270298 707320328 /nfs/dbraw/zinc/32/03/28/707320328.db2.gz DBFZDGMGOGKEOK-MRXNPFEDSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033270298 707320330 /nfs/dbraw/zinc/32/03/30/707320330.db2.gz DBFZDGMGOGKEOK-MRXNPFEDSA-N 2 2 339.399 1.977 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999778470 707339577 /nfs/dbraw/zinc/33/95/77/707339577.db2.gz XIPBFTDACCRTHH-INIZCTEOSA-N 2 2 345.422 1.668 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001033197614 707416924 /nfs/dbraw/zinc/41/69/24/707416924.db2.gz IRIGZZFGYRBLSN-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001033197614 707416927 /nfs/dbraw/zinc/41/69/27/707416927.db2.gz IRIGZZFGYRBLSN-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001033197614 707416931 /nfs/dbraw/zinc/41/69/31/707416931.db2.gz IRIGZZFGYRBLSN-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001033197614 707416935 /nfs/dbraw/zinc/41/69/35/707416935.db2.gz IRIGZZFGYRBLSN-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP COc1ccc(C)cc1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999918043 707559924 /nfs/dbraw/zinc/55/99/24/707559924.db2.gz ZNTLWZKBZOWADB-UHFFFAOYSA-N 2 2 342.443 1.979 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033201392 707612119 /nfs/dbraw/zinc/61/21/19/707612119.db2.gz BROOZLAQLYOEAB-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033201392 707612122 /nfs/dbraw/zinc/61/21/22/707612122.db2.gz BROOZLAQLYOEAB-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033365932 707661311 /nfs/dbraw/zinc/66/13/11/707661311.db2.gz RQOLYAPBPKOQDF-OALUTQOASA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033365932 707661317 /nfs/dbraw/zinc/66/13/17/707661317.db2.gz RQOLYAPBPKOQDF-OALUTQOASA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033365932 707661321 /nfs/dbraw/zinc/66/13/21/707661321.db2.gz RQOLYAPBPKOQDF-OALUTQOASA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033365932 707661325 /nfs/dbraw/zinc/66/13/25/707661325.db2.gz RQOLYAPBPKOQDF-OALUTQOASA-N 2 2 349.519 1.963 20 0 EDADLP Cc1nocc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004942939 707689728 /nfs/dbraw/zinc/68/97/28/707689728.db2.gz BUAMKWASOZZQCT-CZUORRHYSA-N 2 2 331.420 1.808 20 0 EDADLP C[C@@H]([NH2+]Cc1ccns1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004947477 707720138 /nfs/dbraw/zinc/72/01/38/707720138.db2.gz AVGYCBZRZCJYFJ-DOMZBBRYSA-N 2 2 333.461 1.968 20 0 EDADLP C[C@H]([NH2+]Cc1ccns1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004947480 707720156 /nfs/dbraw/zinc/72/01/56/707720156.db2.gz AVGYCBZRZCJYFJ-WFASDCNBSA-N 2 2 333.461 1.968 20 0 EDADLP Cc1nsc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032730701 707729563 /nfs/dbraw/zinc/72/95/63/707729563.db2.gz NNVCPXGUBFWMNW-JYJNAYRXSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nsc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032730701 707729566 /nfs/dbraw/zinc/72/95/66/707729566.db2.gz NNVCPXGUBFWMNW-JYJNAYRXSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730701 707729569 /nfs/dbraw/zinc/72/95/69/707729569.db2.gz NNVCPXGUBFWMNW-JYJNAYRXSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730701 707729573 /nfs/dbraw/zinc/72/95/73/707729573.db2.gz NNVCPXGUBFWMNW-JYJNAYRXSA-N 2 2 348.516 1.887 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033416017 707793324 /nfs/dbraw/zinc/79/33/24/707793324.db2.gz LRBWUKCIEPEEHP-CVEARBPZSA-N 2 2 346.475 1.789 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033416017 707793326 /nfs/dbraw/zinc/79/33/26/707793326.db2.gz LRBWUKCIEPEEHP-CVEARBPZSA-N 2 2 346.475 1.789 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cnon1 ZINC001004991252 707854984 /nfs/dbraw/zinc/85/49/84/707854984.db2.gz KLKAOSWZUAORJO-DOMZBBRYSA-N 2 2 332.408 1.134 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCCO1 ZINC001032759201 707867481 /nfs/dbraw/zinc/86/74/81/707867481.db2.gz BYMWDKUCGVKADH-YESZJQIVSA-N 2 2 332.448 1.207 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCCO1 ZINC001032759201 707867486 /nfs/dbraw/zinc/86/74/86/707867486.db2.gz BYMWDKUCGVKADH-YESZJQIVSA-N 2 2 332.448 1.207 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033453625 707897961 /nfs/dbraw/zinc/89/79/61/707897961.db2.gz YCJHDNZDTHZPQZ-GOSISDBHSA-N 2 2 340.427 1.715 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033453625 707897964 /nfs/dbraw/zinc/89/79/64/707897964.db2.gz YCJHDNZDTHZPQZ-GOSISDBHSA-N 2 2 340.427 1.715 20 0 EDADLP COc1ccc(CC[N@@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001033458689 707909396 /nfs/dbraw/zinc/90/93/96/707909396.db2.gz QXXAQDLZBRNSKP-KRWDZBQOSA-N 2 2 342.443 1.736 20 0 EDADLP COc1ccc(CC[N@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001033458689 707909400 /nfs/dbraw/zinc/90/94/00/707909400.db2.gz QXXAQDLZBRNSKP-KRWDZBQOSA-N 2 2 342.443 1.736 20 0 EDADLP CCn1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC001005007455 707917186 /nfs/dbraw/zinc/91/71/86/707917186.db2.gz DNPKUJIURPVMEF-DOTOQJQBSA-N 2 2 344.463 1.659 20 0 EDADLP C[C@H]1Cc2cc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)ccc2O1 ZINC000921748304 707970707 /nfs/dbraw/zinc/97/07/07/707970707.db2.gz VFSCVRIINOSJGG-QFBILLFUSA-N 2 2 345.487 1.506 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032802052 708085228 /nfs/dbraw/zinc/08/52/28/708085228.db2.gz QDRQFYYGLFTUOW-ROUUACIJSA-N 2 2 345.491 1.390 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032802052 708085229 /nfs/dbraw/zinc/08/52/29/708085229.db2.gz QDRQFYYGLFTUOW-ROUUACIJSA-N 2 2 345.491 1.390 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C)[NH+]1CCCC1 ZINC001032804084 708086401 /nfs/dbraw/zinc/08/64/01/708086401.db2.gz WNLCCQPWSMVXIO-XYJFISCASA-N 2 2 345.491 1.326 20 0 EDADLP COCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)c1 ZINC001032815156 708152629 /nfs/dbraw/zinc/15/26/29/708152629.db2.gz FMMKGIJHMDDUBO-ROUUACIJSA-N 2 2 340.427 1.515 20 0 EDADLP COCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)c1 ZINC001032815156 708152631 /nfs/dbraw/zinc/15/26/31/708152631.db2.gz FMMKGIJHMDDUBO-ROUUACIJSA-N 2 2 340.427 1.515 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532738 708156201 /nfs/dbraw/zinc/15/62/01/708156201.db2.gz UDQQTFYOXNRVDH-IRXDYDNUSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532738 708156203 /nfs/dbraw/zinc/15/62/03/708156203.db2.gz UDQQTFYOXNRVDH-IRXDYDNUSA-N 2 2 345.491 1.802 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)on1 ZINC001033532722 708156436 /nfs/dbraw/zinc/15/64/36/708156436.db2.gz TWPUGRZFZXIDMM-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)on1 ZINC001033532722 708156439 /nfs/dbraw/zinc/15/64/39/708156439.db2.gz TWPUGRZFZXIDMM-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001044873441 708177564 /nfs/dbraw/zinc/17/75/64/708177564.db2.gz YHDQYNLJWBNQAD-HIFRSBDPSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC001044873441 708177565 /nfs/dbraw/zinc/17/75/65/708177565.db2.gz YHDQYNLJWBNQAD-HIFRSBDPSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001001692312 708209582 /nfs/dbraw/zinc/20/95/82/708209582.db2.gz FMMIDTCUKCRCIQ-OAHLLOKOSA-N 2 2 342.443 1.695 20 0 EDADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033555519 708222675 /nfs/dbraw/zinc/22/26/75/708222675.db2.gz ZDPXDWQOUAOVKA-QGZVFWFLSA-N 2 2 328.416 1.665 20 0 EDADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033555519 708222679 /nfs/dbraw/zinc/22/26/79/708222679.db2.gz ZDPXDWQOUAOVKA-QGZVFWFLSA-N 2 2 328.416 1.665 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001033586782 708278037 /nfs/dbraw/zinc/27/80/37/708278037.db2.gz BFBOHNVYYKIAAS-AWEZNQCLSA-N 2 2 345.447 1.554 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001033586782 708278039 /nfs/dbraw/zinc/27/80/39/708278039.db2.gz BFBOHNVYYKIAAS-AWEZNQCLSA-N 2 2 345.447 1.554 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001033587639 708279611 /nfs/dbraw/zinc/27/96/11/708279611.db2.gz HRQMZKHNYHCETP-MRXNPFEDSA-N 2 2 330.407 1.835 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001033587639 708279616 /nfs/dbraw/zinc/27/96/16/708279616.db2.gz HRQMZKHNYHCETP-MRXNPFEDSA-N 2 2 330.407 1.835 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033591177 708288398 /nfs/dbraw/zinc/28/83/98/708288398.db2.gz TUENYRVKANTSLA-LSDHHAIUSA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033591177 708288400 /nfs/dbraw/zinc/28/84/00/708288400.db2.gz TUENYRVKANTSLA-LSDHHAIUSA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033593836 708294574 /nfs/dbraw/zinc/29/45/74/708294574.db2.gz MXCSPJBRMKNVKJ-OAHLLOKOSA-N 2 2 348.878 1.864 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033593836 708294577 /nfs/dbraw/zinc/29/45/77/708294577.db2.gz MXCSPJBRMKNVKJ-OAHLLOKOSA-N 2 2 348.878 1.864 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001033615906 708341321 /nfs/dbraw/zinc/34/13/21/708341321.db2.gz DAIZWFSVSVJYGH-HZPDHXFCSA-N 2 2 334.464 1.610 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001033615906 708341323 /nfs/dbraw/zinc/34/13/23/708341323.db2.gz DAIZWFSVSVJYGH-HZPDHXFCSA-N 2 2 334.464 1.610 20 0 EDADLP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC001033621616 708355432 /nfs/dbraw/zinc/35/54/32/708355432.db2.gz XMCYSGKYIRIXKI-AWEZNQCLSA-N 2 2 346.435 1.118 20 0 EDADLP Cc1noc(CCC[N@@H+]2CC[C@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC001033621616 708355435 /nfs/dbraw/zinc/35/54/35/708355435.db2.gz XMCYSGKYIRIXKI-AWEZNQCLSA-N 2 2 346.435 1.118 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033666765 708452477 /nfs/dbraw/zinc/45/24/77/708452477.db2.gz ZCDWKAGAYCCXJT-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033666765 708452479 /nfs/dbraw/zinc/45/24/79/708452479.db2.gz ZCDWKAGAYCCXJT-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001033666765 708452481 /nfs/dbraw/zinc/45/24/81/708452481.db2.gz ZCDWKAGAYCCXJT-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001033666765 708452483 /nfs/dbraw/zinc/45/24/83/708452483.db2.gz ZCDWKAGAYCCXJT-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033701422 708527557 /nfs/dbraw/zinc/52/75/57/708527557.db2.gz DEJGNJSZTDMKSM-SJORKVTESA-N 2 2 334.464 1.357 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033701422 708527558 /nfs/dbraw/zinc/52/75/58/708527558.db2.gz DEJGNJSZTDMKSM-SJORKVTESA-N 2 2 334.464 1.357 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001002120044 708633635 /nfs/dbraw/zinc/63/36/35/708633635.db2.gz DUIDPBCTRJVQCR-HNNXBMFYSA-N 2 2 348.495 1.208 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001002120044 708633638 /nfs/dbraw/zinc/63/36/38/708633638.db2.gz DUIDPBCTRJVQCR-HNNXBMFYSA-N 2 2 348.495 1.208 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033774909 708673902 /nfs/dbraw/zinc/67/39/02/708673902.db2.gz KTGLKTFJQKKHRP-KGLIPLIRSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033774909 708673905 /nfs/dbraw/zinc/67/39/05/708673905.db2.gz KTGLKTFJQKKHRP-KGLIPLIRSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2snnc2C)C1 ZINC001033774909 708673907 /nfs/dbraw/zinc/67/39/07/708673907.db2.gz KTGLKTFJQKKHRP-KGLIPLIRSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2snnc2C)C1 ZINC001033774909 708673909 /nfs/dbraw/zinc/67/39/09/708673909.db2.gz KTGLKTFJQKKHRP-KGLIPLIRSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nonc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005400233 708887252 /nfs/dbraw/zinc/88/72/52/708887252.db2.gz ZSEUELVTPRWBCO-INIZCTEOSA-N 2 2 347.463 1.143 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001033871103 708959820 /nfs/dbraw/zinc/95/98/20/708959820.db2.gz BYDZLURIVHDJEP-JSGCOSHPSA-N 2 2 343.431 1.234 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001033871103 708959822 /nfs/dbraw/zinc/95/98/22/708959822.db2.gz BYDZLURIVHDJEP-JSGCOSHPSA-N 2 2 343.431 1.234 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc[nH+]1 ZINC001061705542 708970338 /nfs/dbraw/zinc/97/03/38/708970338.db2.gz FKMWAGFUZXAKHM-BPUTZDHNSA-N 2 2 331.464 1.458 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc[nH+]1 ZINC001061705542 708970341 /nfs/dbraw/zinc/97/03/41/708970341.db2.gz FKMWAGFUZXAKHM-BPUTZDHNSA-N 2 2 331.464 1.458 20 0 EDADLP C[C@H](O)C[NH+]1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001005432045 708995386 /nfs/dbraw/zinc/99/53/86/708995386.db2.gz OEYVTKMVMCYBKZ-AWEZNQCLSA-N 2 2 334.464 1.066 20 0 EDADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001043617899 709101600 /nfs/dbraw/zinc/10/16/00/709101600.db2.gz SMUIUGLTZURJMB-QAPCUYQASA-N 2 2 337.508 1.961 20 0 EDADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001043617899 709101601 /nfs/dbraw/zinc/10/16/01/709101601.db2.gz SMUIUGLTZURJMB-QAPCUYQASA-N 2 2 337.508 1.961 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001034037651 709269407 /nfs/dbraw/zinc/26/94/07/709269407.db2.gz DCKJFIZACHMRGS-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001034037651 709269410 /nfs/dbraw/zinc/26/94/10/709269410.db2.gz DCKJFIZACHMRGS-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001034037651 709269415 /nfs/dbraw/zinc/26/94/15/709269415.db2.gz DCKJFIZACHMRGS-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001034037651 709269419 /nfs/dbraw/zinc/26/94/19/709269419.db2.gz DCKJFIZACHMRGS-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001034047411 709300985 /nfs/dbraw/zinc/30/09/85/709300985.db2.gz IEOFWDKUEJPXMS-MSOLQXFVSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001034047411 709300989 /nfs/dbraw/zinc/30/09/89/709300989.db2.gz IEOFWDKUEJPXMS-MSOLQXFVSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001034047411 709300992 /nfs/dbraw/zinc/30/09/92/709300992.db2.gz IEOFWDKUEJPXMS-MSOLQXFVSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001034047411 709300994 /nfs/dbraw/zinc/30/09/94/709300994.db2.gz IEOFWDKUEJPXMS-MSOLQXFVSA-N 2 2 346.475 1.225 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)no1 ZINC001002803870 709406463 /nfs/dbraw/zinc/40/64/63/709406463.db2.gz XCWODFXAERIRDN-QAPCUYQASA-N 2 2 346.475 1.938 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)no1 ZINC001002803870 709406465 /nfs/dbraw/zinc/40/64/65/709406465.db2.gz XCWODFXAERIRDN-QAPCUYQASA-N 2 2 346.475 1.938 20 0 EDADLP Cc1cccnc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148303 709419628 /nfs/dbraw/zinc/41/96/28/709419628.db2.gz HMUCONBUFYPSAR-WMZOPIPTSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148303 709419631 /nfs/dbraw/zinc/41/96/31/709419631.db2.gz HMUCONBUFYPSAR-WMZOPIPTSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148303 709419633 /nfs/dbraw/zinc/41/96/33/709419633.db2.gz HMUCONBUFYPSAR-WMZOPIPTSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148303 709419635 /nfs/dbraw/zinc/41/96/35/709419635.db2.gz HMUCONBUFYPSAR-WMZOPIPTSA-N 2 2 346.475 1.191 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC001032829868 709456151 /nfs/dbraw/zinc/45/61/51/709456151.db2.gz VNQLMCNLFKUPLZ-WBAXXEDZSA-N 2 2 349.450 1.534 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)c2ccccc2F)C1 ZINC001032829868 709456153 /nfs/dbraw/zinc/45/61/53/709456153.db2.gz VNQLMCNLFKUPLZ-WBAXXEDZSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC001032829868 709456155 /nfs/dbraw/zinc/45/61/55/709456155.db2.gz VNQLMCNLFKUPLZ-WBAXXEDZSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC001032829868 709456156 /nfs/dbraw/zinc/45/61/56/709456156.db2.gz VNQLMCNLFKUPLZ-WBAXXEDZSA-N 2 2 349.450 1.534 20 0 EDADLP CCc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001061175820 709474063 /nfs/dbraw/zinc/47/40/63/709474063.db2.gz RWQWWEIXVYDEBG-CVEARBPZSA-N 2 2 345.491 1.869 20 0 EDADLP CCc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001061175820 709474064 /nfs/dbraw/zinc/47/40/64/709474064.db2.gz RWQWWEIXVYDEBG-CVEARBPZSA-N 2 2 345.491 1.869 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061180810 709479227 /nfs/dbraw/zinc/47/92/27/709479227.db2.gz UKKMYDMLOJSTND-IRXDYDNUSA-N 2 2 345.491 1.923 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061180810 709479228 /nfs/dbraw/zinc/47/92/28/709479228.db2.gz UKKMYDMLOJSTND-IRXDYDNUSA-N 2 2 345.491 1.923 20 0 EDADLP Cc1nonc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214958 709567320 /nfs/dbraw/zinc/56/73/20/709567320.db2.gz SJQSSUXCZMDHKS-QLFBSQMISA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034214958 709567324 /nfs/dbraw/zinc/56/73/24/709567324.db2.gz SJQSSUXCZMDHKS-QLFBSQMISA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214958 709567328 /nfs/dbraw/zinc/56/73/28/709567328.db2.gz SJQSSUXCZMDHKS-QLFBSQMISA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034214958 709567333 /nfs/dbraw/zinc/56/73/33/709567333.db2.gz SJQSSUXCZMDHKS-QLFBSQMISA-N 2 2 335.452 1.189 20 0 EDADLP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260857 709647923 /nfs/dbraw/zinc/64/79/23/709647923.db2.gz PRMLBHPTJMBXSB-JKSUJKDBSA-N 2 2 336.480 1.932 20 0 EDADLP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260857 709647924 /nfs/dbraw/zinc/64/79/24/709647924.db2.gz PRMLBHPTJMBXSB-JKSUJKDBSA-N 2 2 336.480 1.932 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290132 709714964 /nfs/dbraw/zinc/71/49/64/709714964.db2.gz FCJLNJHKEXTFNM-ZBFHGGJFSA-N 2 2 343.431 1.183 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290132 709714967 /nfs/dbraw/zinc/71/49/67/709714967.db2.gz FCJLNJHKEXTFNM-ZBFHGGJFSA-N 2 2 343.431 1.183 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001034308451 709748443 /nfs/dbraw/zinc/74/84/43/709748443.db2.gz BRSBPOMPWGROSL-DZGCQCFKSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001034308451 709748446 /nfs/dbraw/zinc/74/84/46/709748446.db2.gz BRSBPOMPWGROSL-DZGCQCFKSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2conc2C)C1 ZINC001034309607 709751726 /nfs/dbraw/zinc/75/17/26/709751726.db2.gz NFLBUALTZMIFFU-INIZCTEOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2conc2C)C1 ZINC001034309607 709751731 /nfs/dbraw/zinc/75/17/31/709751731.db2.gz NFLBUALTZMIFFU-INIZCTEOSA-N 2 2 331.420 1.659 20 0 EDADLP Cn1nccc1C[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001003015139 709800814 /nfs/dbraw/zinc/80/08/14/709800814.db2.gz AYCJMROMQWJPPN-MRXNPFEDSA-N 2 2 342.447 1.275 20 0 EDADLP CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400995 709944904 /nfs/dbraw/zinc/94/49/04/709944904.db2.gz ZFCPAWHHTWPDKV-CVEARBPZSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400995 709944907 /nfs/dbraw/zinc/94/49/07/709944907.db2.gz ZFCPAWHHTWPDKV-CVEARBPZSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034400995 709944908 /nfs/dbraw/zinc/94/49/08/709944908.db2.gz ZFCPAWHHTWPDKV-CVEARBPZSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034400995 709944910 /nfs/dbraw/zinc/94/49/10/709944910.db2.gz ZFCPAWHHTWPDKV-CVEARBPZSA-N 2 2 348.495 1.253 20 0 EDADLP CNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426853 709962792 /nfs/dbraw/zinc/96/27/92/709962792.db2.gz QFGRGVBVDSURLJ-HUUCEWRRSA-N 2 2 349.479 1.112 20 0 EDADLP CNC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426853 709962794 /nfs/dbraw/zinc/96/27/94/709962794.db2.gz QFGRGVBVDSURLJ-HUUCEWRRSA-N 2 2 349.479 1.112 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](CC[C@@H]3CCOC3)CC2)c[nH+]1 ZINC001003128226 710025900 /nfs/dbraw/zinc/02/59/00/710025900.db2.gz ODPLWZNYIDYWGF-MRXNPFEDSA-N 2 2 348.491 1.934 20 0 EDADLP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001003179648 710096168 /nfs/dbraw/zinc/09/61/68/710096168.db2.gz JEJMMZJBIFIJEZ-LBPRGKRZSA-N 2 2 344.381 1.979 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](Cc2cscn2)C1)C12CC[NH+](CC1)C2 ZINC001034490745 710109964 /nfs/dbraw/zinc/10/99/64/710109964.db2.gz MCKDAADGDQULQR-AWEZNQCLSA-N 2 2 334.489 1.710 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](Cc2cscn2)C1)C12CC[NH+](CC1)C2 ZINC001034490745 710109967 /nfs/dbraw/zinc/10/99/67/710109967.db2.gz MCKDAADGDQULQR-AWEZNQCLSA-N 2 2 334.489 1.710 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(C)o1 ZINC001034492154 710113102 /nfs/dbraw/zinc/11/31/02/710113102.db2.gz ZJEUEBSZQSVNMG-INIZCTEOSA-N 2 2 346.475 1.858 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(C)o1 ZINC001034492154 710113107 /nfs/dbraw/zinc/11/31/07/710113107.db2.gz ZJEUEBSZQSVNMG-INIZCTEOSA-N 2 2 346.475 1.858 20 0 EDADLP COc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034528477 710182170 /nfs/dbraw/zinc/18/21/70/710182170.db2.gz NLNHSUYARHGPII-INIZCTEOSA-N 2 2 346.475 1.657 20 0 EDADLP COc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034528477 710182172 /nfs/dbraw/zinc/18/21/72/710182172.db2.gz NLNHSUYARHGPII-INIZCTEOSA-N 2 2 346.475 1.657 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](Cc2ccccn2)C1 ZINC001034529476 710184470 /nfs/dbraw/zinc/18/44/70/710184470.db2.gz HUWBISZMILESDS-KRWDZBQOSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccccn2)C1 ZINC001034529476 710184472 /nfs/dbraw/zinc/18/44/72/710184472.db2.gz HUWBISZMILESDS-KRWDZBQOSA-N 2 2 327.432 1.757 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001034547510 710221861 /nfs/dbraw/zinc/22/18/61/710221861.db2.gz SMJWMKCLRPAMRF-QZTJIDSGSA-N 2 2 342.443 1.587 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001034547510 710221864 /nfs/dbraw/zinc/22/18/64/710221864.db2.gz SMJWMKCLRPAMRF-QZTJIDSGSA-N 2 2 342.443 1.587 20 0 EDADLP Cc1cnc([C@@H](C)[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547528 710221920 /nfs/dbraw/zinc/22/19/20/710221920.db2.gz SZTXQNNZJDRZHO-HZPDHXFCSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1cnc([C@@H](C)[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547528 710221923 /nfs/dbraw/zinc/22/19/23/710221923.db2.gz SZTXQNNZJDRZHO-HZPDHXFCSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2nccnc2C)CC1 ZINC001003319559 710248275 /nfs/dbraw/zinc/24/82/75/710248275.db2.gz WJCOJNUYCPUPIZ-UHFFFAOYSA-N 2 2 328.420 1.071 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC001034610226 710284208 /nfs/dbraw/zinc/28/42/08/710284208.db2.gz JMTTUKXJLCLGNC-NGFQHRJXSA-N 2 2 335.452 1.550 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC001034610226 710284211 /nfs/dbraw/zinc/28/42/11/710284211.db2.gz JMTTUKXJLCLGNC-NGFQHRJXSA-N 2 2 335.452 1.550 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)n1 ZINC001003375756 710293974 /nfs/dbraw/zinc/29/39/74/710293974.db2.gz WNIBCBOCIOPKAN-GOSISDBHSA-N 2 2 345.491 1.375 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001003375837 710294334 /nfs/dbraw/zinc/29/43/34/710294334.db2.gz YBPNEHVGFANHMX-SFHVURJKSA-N 2 2 343.475 1.432 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC001003491405 710373929 /nfs/dbraw/zinc/37/39/29/710373929.db2.gz DTWLAZGKZACNLK-JSGCOSHPSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC001003491405 710373931 /nfs/dbraw/zinc/37/39/31/710373931.db2.gz DTWLAZGKZACNLK-JSGCOSHPSA-N 2 2 335.452 1.189 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001003606473 710446685 /nfs/dbraw/zinc/44/66/85/710446685.db2.gz MOHGVVAPUYWHRB-ZBFHGGJFSA-N 2 2 346.475 1.837 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003627854 710457690 /nfs/dbraw/zinc/45/76/90/710457690.db2.gz IYGKBHSIYKNQFB-KBPBESRZSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003627854 710457691 /nfs/dbraw/zinc/45/76/91/710457691.db2.gz IYGKBHSIYKNQFB-KBPBESRZSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)co1 ZINC001003742124 710524957 /nfs/dbraw/zinc/52/49/57/710524957.db2.gz VUMSNAGLLOUQRM-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001005580253 710610079 /nfs/dbraw/zinc/61/00/79/710610079.db2.gz KNKSFCYTRYIFHB-OAHLLOKOSA-N 2 2 336.480 1.884 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005619373 710724234 /nfs/dbraw/zinc/72/42/34/710724234.db2.gz YFBTXXRXGKESQG-GJZGRUSLSA-N 2 2 334.464 1.403 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1 ZINC001034763807 711036323 /nfs/dbraw/zinc/03/63/23/711036323.db2.gz NAHNBEGTJFEPJY-HDJSIYSDSA-N 2 2 331.395 1.704 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001034775463 711048475 /nfs/dbraw/zinc/04/84/75/711048475.db2.gz ACRPNNSHBTWJPO-JOCQHMNTSA-N 2 2 346.435 1.125 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC001005713407 711106063 /nfs/dbraw/zinc/10/60/63/711106063.db2.gz MXYDXUFYIFIQJN-OAHLLOKOSA-N 2 2 342.447 1.666 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccon3)CC2)C1 ZINC001003966901 711137047 /nfs/dbraw/zinc/13/70/47/711137047.db2.gz FTPDLEDNYAJASF-YOEHRIQHSA-N 2 2 334.464 1.876 20 0 EDADLP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001003977143 711148622 /nfs/dbraw/zinc/14/86/22/711148622.db2.gz VNWDRLCHGBPIPH-UHFFFAOYSA-N 2 2 344.463 1.057 20 0 EDADLP Cc1noc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2)n1 ZINC001034831927 711238111 /nfs/dbraw/zinc/23/81/11/711238111.db2.gz ZPOQWHXIWUPHCV-INIZCTEOSA-N 2 2 343.431 1.236 20 0 EDADLP Cc1noc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)n1 ZINC001034831927 711238113 /nfs/dbraw/zinc/23/81/13/711238113.db2.gz ZPOQWHXIWUPHCV-INIZCTEOSA-N 2 2 343.431 1.236 20 0 EDADLP CCc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001034924558 711388178 /nfs/dbraw/zinc/38/81/78/711388178.db2.gz RJAPUPJEQYYJDQ-CQSZACIVSA-N 2 2 331.420 1.674 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001034970061 711449481 /nfs/dbraw/zinc/44/94/81/711449481.db2.gz SSWMBUUCGUSCJA-OAHLLOKOSA-N 2 2 347.463 1.335 20 0 EDADLP Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)n[nH]1 ZINC000922408825 711484406 /nfs/dbraw/zinc/48/44/06/711484406.db2.gz ZSBLCBKCQJMRRS-CZUORRHYSA-N 2 2 339.403 1.561 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033152205 712151584 /nfs/dbraw/zinc/15/15/84/712151584.db2.gz NMMYYDMKVVRMKN-DZGCQCFKSA-N 2 2 345.472 1.950 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033152205 712151585 /nfs/dbraw/zinc/15/15/85/712151585.db2.gz NMMYYDMKVVRMKN-DZGCQCFKSA-N 2 2 345.472 1.950 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033163805 712273397 /nfs/dbraw/zinc/27/33/97/712273397.db2.gz SWQCDBKAGCROGC-GVDBMIGSSA-N 2 2 346.475 1.863 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033163805 712273398 /nfs/dbraw/zinc/27/33/98/712273398.db2.gz SWQCDBKAGCROGC-GVDBMIGSSA-N 2 2 346.475 1.863 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033163805 712273401 /nfs/dbraw/zinc/27/34/01/712273401.db2.gz SWQCDBKAGCROGC-GVDBMIGSSA-N 2 2 346.475 1.863 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033163805 712273404 /nfs/dbraw/zinc/27/34/04/712273404.db2.gz SWQCDBKAGCROGC-GVDBMIGSSA-N 2 2 346.475 1.863 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675550 712359432 /nfs/dbraw/zinc/35/94/32/712359432.db2.gz WGAARCOFWJRGFL-HRCADAONSA-N 2 2 342.443 1.499 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675550 712359434 /nfs/dbraw/zinc/35/94/34/712359434.db2.gz WGAARCOFWJRGFL-HRCADAONSA-N 2 2 342.443 1.499 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000557656093 306232249 /nfs/dbraw/zinc/23/22/49/306232249.db2.gz BMEKJZNYKUDBCX-HNNXBMFYSA-N 2 2 334.464 1.262 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)no1 ZINC000359561335 282145291 /nfs/dbraw/zinc/14/52/91/282145291.db2.gz INRMXELXJWZYHX-WBVHZDCISA-N 2 2 328.416 1.911 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)no1 ZINC000359561335 282145292 /nfs/dbraw/zinc/14/52/92/282145292.db2.gz INRMXELXJWZYHX-WBVHZDCISA-N 2 2 328.416 1.911 20 0 EDADLP COC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000262217609 536660464 /nfs/dbraw/zinc/66/04/64/536660464.db2.gz FJTWSDCDQCJXAA-HZPDHXFCSA-N 2 2 335.448 1.312 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000237910034 295679909 /nfs/dbraw/zinc/67/99/09/295679909.db2.gz HYSZLKKUHYJLMV-HUUCEWRRSA-N 2 2 349.500 1.627 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000357922777 282256595 /nfs/dbraw/zinc/25/65/95/282256595.db2.gz UPPGYULBOHQQNY-CRAIPNDOSA-N 2 2 337.508 1.890 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000357922777 282256599 /nfs/dbraw/zinc/25/65/99/282256599.db2.gz UPPGYULBOHQQNY-CRAIPNDOSA-N 2 2 337.508 1.890 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000183380919 529808877 /nfs/dbraw/zinc/80/88/77/529808877.db2.gz DDBDPXWXBKFZOU-ZACQAIPSSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000183380919 529808878 /nfs/dbraw/zinc/80/88/78/529808878.db2.gz DDBDPXWXBKFZOU-ZACQAIPSSA-N 2 2 343.475 1.786 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000303045002 539355184 /nfs/dbraw/zinc/35/51/84/539355184.db2.gz HVAMTWHYNWTDSK-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP C[N@H+](CCn1cccn1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171967776 529940439 /nfs/dbraw/zinc/94/04/39/529940439.db2.gz NZOSMPSLUHRTEJ-UHFFFAOYSA-N 2 2 347.488 1.221 20 0 EDADLP C[N@@H+](CCn1cccn1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000171967776 529940441 /nfs/dbraw/zinc/94/04/41/529940441.db2.gz NZOSMPSLUHRTEJ-UHFFFAOYSA-N 2 2 347.488 1.221 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000559638884 306257342 /nfs/dbraw/zinc/25/73/42/306257342.db2.gz XYDXZSOTPMMIAL-MRXNPFEDSA-N 2 2 340.439 1.608 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000559638884 306257343 /nfs/dbraw/zinc/25/73/43/306257343.db2.gz XYDXZSOTPMMIAL-MRXNPFEDSA-N 2 2 340.439 1.608 20 0 EDADLP C[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000174551209 530047990 /nfs/dbraw/zinc/04/79/90/530047990.db2.gz QKYLMDGNHWENHQ-SFHVURJKSA-N 2 2 331.460 1.518 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNc3ccccc3)CC2)CC1 ZINC000166562581 530049809 /nfs/dbraw/zinc/04/98/09/530049809.db2.gz CVNZYGTWYQHVMD-UHFFFAOYSA-N 2 2 330.476 1.773 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000560103562 306261082 /nfs/dbraw/zinc/26/10/82/306261082.db2.gz JTSQBUYNQWCHMK-UHFFFAOYSA-N 2 2 330.432 1.814 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000178364998 232146566 /nfs/dbraw/zinc/14/65/66/232146566.db2.gz YRUWVSOSMFUPSZ-GJZGRUSLSA-N 2 2 330.436 1.543 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354375657 282389272 /nfs/dbraw/zinc/38/92/72/282389272.db2.gz BYKZPAKYEXUODK-IEBWSBKVSA-N 2 2 349.519 1.820 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354375657 282389275 /nfs/dbraw/zinc/38/92/75/282389275.db2.gz BYKZPAKYEXUODK-IEBWSBKVSA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354375657 282389278 /nfs/dbraw/zinc/38/92/78/282389278.db2.gz BYKZPAKYEXUODK-IEBWSBKVSA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354375657 282389281 /nfs/dbraw/zinc/38/92/81/282389281.db2.gz BYKZPAKYEXUODK-IEBWSBKVSA-N 2 2 349.519 1.820 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCCn2cc[nH+]c2)C[C@@H]1C ZINC000560299387 306263685 /nfs/dbraw/zinc/26/36/85/306263685.db2.gz ARRPUJMHLMSELE-HOTGVXAUSA-N 2 2 349.479 1.111 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCCn2cc[nH+]c2)C[C@@H]1C ZINC000560299387 306263686 /nfs/dbraw/zinc/26/36/86/306263686.db2.gz ARRPUJMHLMSELE-HOTGVXAUSA-N 2 2 349.479 1.111 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C[NH+](C)C ZINC000641508963 452040722 /nfs/dbraw/zinc/04/07/22/452040722.db2.gz UNLKUTZQJQNFHH-ZDUSSCGKSA-N 2 2 325.478 1.151 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066705 539700054 /nfs/dbraw/zinc/70/00/54/539700054.db2.gz DMAYSUGEVZDANV-MSOLQXFVSA-N 3 2 344.507 1.205 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066705 539700056 /nfs/dbraw/zinc/70/00/56/539700056.db2.gz DMAYSUGEVZDANV-MSOLQXFVSA-N 3 2 344.507 1.205 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[N@@H+]1C1CC1 ZINC000561407200 306287672 /nfs/dbraw/zinc/28/76/72/306287672.db2.gz FAVLSVCOWMQTOU-GDBMZVCRSA-N 2 2 344.459 1.269 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[N@H+]1C1CC1 ZINC000561407200 306287673 /nfs/dbraw/zinc/28/76/73/306287673.db2.gz FAVLSVCOWMQTOU-GDBMZVCRSA-N 2 2 344.459 1.269 20 0 EDADLP C[C@@H](OCC1CC1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154473811 539798696 /nfs/dbraw/zinc/79/86/96/539798696.db2.gz WBJLGLUZUGUXGN-NAZJXLNTSA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H](OCC1CC1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154473811 539798699 /nfs/dbraw/zinc/79/86/99/539798699.db2.gz WBJLGLUZUGUXGN-NAZJXLNTSA-N 2 2 335.492 1.571 20 0 EDADLP CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000562376519 306296900 /nfs/dbraw/zinc/29/69/00/306296900.db2.gz VDOKIMXJHDAHDR-GFCCVEGCSA-N 2 2 325.459 1.800 20 0 EDADLP CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000562376519 306296901 /nfs/dbraw/zinc/29/69/01/306296901.db2.gz VDOKIMXJHDAHDR-GFCCVEGCSA-N 2 2 325.459 1.800 20 0 EDADLP CC1(C)CCC[N@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000562541425 306301757 /nfs/dbraw/zinc/30/17/57/306301757.db2.gz HITSHJAKTRUMCD-UHFFFAOYSA-N 2 2 328.420 1.514 20 0 EDADLP CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000562541425 306301758 /nfs/dbraw/zinc/30/17/58/306301758.db2.gz HITSHJAKTRUMCD-UHFFFAOYSA-N 2 2 328.420 1.514 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000562619419 306303093 /nfs/dbraw/zinc/30/30/93/306303093.db2.gz JFKOUYKZMGYHRW-HNNXBMFYSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000562619419 306303094 /nfs/dbraw/zinc/30/30/94/306303094.db2.gz JFKOUYKZMGYHRW-HNNXBMFYSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000562619419 306303095 /nfs/dbraw/zinc/30/30/95/306303095.db2.gz JFKOUYKZMGYHRW-HNNXBMFYSA-N 2 2 340.512 1.517 20 0 EDADLP c1[nH+]c2c(n1Cc1nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no1)CCCC2 ZINC000350137850 539871595 /nfs/dbraw/zinc/87/15/95/539871595.db2.gz YUQPNSVXQYSWDE-IUODEOHRSA-N 2 2 329.404 1.729 20 0 EDADLP c1[nH+]c2c(n1Cc1nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no1)CCCC2 ZINC000350137850 539871599 /nfs/dbraw/zinc/87/15/99/539871599.db2.gz YUQPNSVXQYSWDE-IUODEOHRSA-N 2 2 329.404 1.729 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000562650848 306304787 /nfs/dbraw/zinc/30/47/87/306304787.db2.gz QZMRNUSNUNUZQT-MRXNPFEDSA-N 2 2 328.416 1.566 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000562650848 306304788 /nfs/dbraw/zinc/30/47/88/306304788.db2.gz QZMRNUSNUNUZQT-MRXNPFEDSA-N 2 2 328.416 1.566 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]CC2Cc3ccccc3C2)C1=O ZINC000562807866 306309888 /nfs/dbraw/zinc/30/98/88/306309888.db2.gz WIAMOXWXNDWORX-SFHVURJKSA-N 2 2 338.455 1.916 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000104842487 219426951 /nfs/dbraw/zinc/42/69/51/219426951.db2.gz UTQQVQVYXOCZCV-IBGZPJMESA-N 2 2 345.487 1.737 20 0 EDADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000563013917 306316061 /nfs/dbraw/zinc/31/60/61/306316061.db2.gz OOQMWAMVZWVUIA-ZIAGYGMSSA-N 2 2 347.415 1.245 20 0 EDADLP C[C@H](CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000563253566 306324760 /nfs/dbraw/zinc/32/47/60/306324760.db2.gz WMHOJSKDUHYPFL-CRAIPNDOSA-N 2 2 342.443 1.717 20 0 EDADLP C[C@H](CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000563253566 306324761 /nfs/dbraw/zinc/32/47/61/306324761.db2.gz WMHOJSKDUHYPFL-CRAIPNDOSA-N 2 2 342.443 1.717 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)c1ccccn1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181802818 540128423 /nfs/dbraw/zinc/12/84/23/540128423.db2.gz MRLHGLCSNLRQOM-JKSUJKDBSA-N 2 2 339.443 1.865 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563357080 306329861 /nfs/dbraw/zinc/32/98/61/306329861.db2.gz ZUALHPBYSWWANE-MRXNPFEDSA-N 2 2 342.443 1.577 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563357080 306329862 /nfs/dbraw/zinc/32/98/62/306329862.db2.gz ZUALHPBYSWWANE-MRXNPFEDSA-N 2 2 342.443 1.577 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)CCN2C1=O ZINC000563443911 306333563 /nfs/dbraw/zinc/33/35/63/306333563.db2.gz ZAUVRCQUAOJSRA-UONOGXRCSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)CCN2C1=O ZINC000563443911 306333564 /nfs/dbraw/zinc/33/35/64/306333564.db2.gz ZAUVRCQUAOJSRA-UONOGXRCSA-N 2 2 330.363 1.225 20 0 EDADLP CCCCO[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050796844 138132719 /nfs/dbraw/zinc/13/27/19/138132719.db2.gz IOYBTUAYBUFRAU-HNNXBMFYSA-N 2 2 325.497 1.866 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H]1CCCO1 ZINC000052102389 138137174 /nfs/dbraw/zinc/13/71/74/138137174.db2.gz PBJXMGLQWCOVNL-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H]1CCCO1 ZINC000052102389 138137175 /nfs/dbraw/zinc/13/71/75/138137175.db2.gz PBJXMGLQWCOVNL-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069249050 138199089 /nfs/dbraw/zinc/19/90/89/138199089.db2.gz MDFWZVUJSSDWBB-MRXNPFEDSA-N 2 2 331.526 1.514 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000069249050 138199090 /nfs/dbraw/zinc/19/90/90/138199090.db2.gz MDFWZVUJSSDWBB-MRXNPFEDSA-N 2 2 331.526 1.514 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834971 138244182 /nfs/dbraw/zinc/24/41/82/138244182.db2.gz GRSIZQRPBMISQH-MRXNPFEDSA-N 2 2 339.480 1.254 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834971 138244183 /nfs/dbraw/zinc/24/41/83/138244183.db2.gz GRSIZQRPBMISQH-MRXNPFEDSA-N 2 2 339.480 1.254 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1cccc(F)c1 ZINC000563559321 306338839 /nfs/dbraw/zinc/33/88/39/306338839.db2.gz VKWRNHGCXAZBTK-MRXNPFEDSA-N 2 2 343.406 1.868 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079254574 138260959 /nfs/dbraw/zinc/26/09/59/138260959.db2.gz GMIGJPHBFGHMDP-QGZVFWFLSA-N 2 2 327.432 1.847 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079254574 138260960 /nfs/dbraw/zinc/26/09/60/138260960.db2.gz GMIGJPHBFGHMDP-QGZVFWFLSA-N 2 2 327.432 1.847 20 0 EDADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000090410670 138278248 /nfs/dbraw/zinc/27/82/48/138278248.db2.gz ONEPEIBEWPYIGF-SZMVWBNQSA-N 2 2 345.491 1.685 20 0 EDADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000090410670 138278249 /nfs/dbraw/zinc/27/82/49/138278249.db2.gz ONEPEIBEWPYIGF-SZMVWBNQSA-N 2 2 345.491 1.685 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000091510000 138284071 /nfs/dbraw/zinc/28/40/71/138284071.db2.gz RXAUYBDCBKDASJ-QRVBRYPASA-N 2 2 338.540 1.198 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000130576999 138342304 /nfs/dbraw/zinc/34/23/04/138342304.db2.gz ZJVJISQDSWJWFK-GOSISDBHSA-N 2 2 338.455 1.832 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(COC)o1 ZINC000563856348 306350021 /nfs/dbraw/zinc/35/00/21/306350021.db2.gz WWKSWHLHHPITJZ-HOCLYGCPSA-N 2 2 326.437 1.502 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1ccc(COC)o1 ZINC000563856348 306350022 /nfs/dbraw/zinc/35/00/22/306350022.db2.gz WWKSWHLHHPITJZ-HOCLYGCPSA-N 2 2 326.437 1.502 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000563856348 306350023 /nfs/dbraw/zinc/35/00/23/306350023.db2.gz WWKSWHLHHPITJZ-HOCLYGCPSA-N 2 2 326.437 1.502 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000563856348 306350024 /nfs/dbraw/zinc/35/00/24/306350024.db2.gz WWKSWHLHHPITJZ-HOCLYGCPSA-N 2 2 326.437 1.502 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000376171570 291129453 /nfs/dbraw/zinc/12/94/53/291129453.db2.gz IDRZBZIYOZAVBL-YOEHRIQHSA-N 2 2 332.448 1.078 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000564661116 306362649 /nfs/dbraw/zinc/36/26/49/306362649.db2.gz MNOGZYYWNCSSJD-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cccnc1 ZINC000181623083 138770025 /nfs/dbraw/zinc/77/00/25/138770025.db2.gz SKRMCTNENIVXFT-OAHLLOKOSA-N 2 2 328.416 1.670 20 0 EDADLP O=C(CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)Nc1ccccc1F ZINC000564804369 306365636 /nfs/dbraw/zinc/36/56/36/306365636.db2.gz VQIACILZMFJYCT-UHFFFAOYSA-N 2 2 349.450 1.981 20 0 EDADLP COc1ccc(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000564843428 306366564 /nfs/dbraw/zinc/36/65/64/306366564.db2.gz CUSJMTDUZBBDKL-DZKIICNBSA-N 2 2 340.439 1.437 20 0 EDADLP Cc1nc(N2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)cc[nH+]1 ZINC000564941076 306370662 /nfs/dbraw/zinc/37/06/62/306370662.db2.gz YNNFTJAHUBHLNT-QGZVFWFLSA-N 2 2 339.443 1.914 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000565460479 306384165 /nfs/dbraw/zinc/38/41/65/306384165.db2.gz SXFHOAZEFGZBMK-UHFFFAOYSA-N 2 2 345.447 1.853 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccn(-c4ccccc4)n3)C2)nn1 ZINC000565468530 306384623 /nfs/dbraw/zinc/38/46/23/306384623.db2.gz STBJXRKRQXLFLX-GOSISDBHSA-N 2 2 337.431 1.760 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccn(-c4ccccc4)n3)C2)nn1 ZINC000565468530 306384624 /nfs/dbraw/zinc/38/46/24/306384624.db2.gz STBJXRKRQXLFLX-GOSISDBHSA-N 2 2 337.431 1.760 20 0 EDADLP CC(=O)Nc1cccc(OCC[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000414328845 304106703 /nfs/dbraw/zinc/10/67/03/304106703.db2.gz QGKWPUOLQRKGGD-UHFFFAOYSA-N 2 2 331.420 1.613 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000342775180 283785491 /nfs/dbraw/zinc/78/54/91/283785491.db2.gz ARDQYBCFPFMYAL-HOTGVXAUSA-N 2 2 341.496 1.103 20 0 EDADLP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@H]([NH3+])CC(C)C)CC2)n1 ZINC000414699859 304129205 /nfs/dbraw/zinc/12/92/05/304129205.db2.gz FQAQWGAFJLJHAI-GJZGRUSLSA-N 2 2 339.484 1.658 20 0 EDADLP CO[C@@H](C)c1noc(CN2CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)CC2)n1 ZINC000414699859 304129206 /nfs/dbraw/zinc/12/92/06/304129206.db2.gz FQAQWGAFJLJHAI-GJZGRUSLSA-N 2 2 339.484 1.658 20 0 EDADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(C[C@@H]([NH3+])CC(C)C)CC2)n1 ZINC000414699859 304129208 /nfs/dbraw/zinc/12/92/08/304129208.db2.gz FQAQWGAFJLJHAI-GJZGRUSLSA-N 2 2 339.484 1.658 20 0 EDADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(C[C@@H]([NH3+])CC(C)C)CC2)n1 ZINC000414699859 304129211 /nfs/dbraw/zinc/12/92/11/304129211.db2.gz FQAQWGAFJLJHAI-GJZGRUSLSA-N 2 2 339.484 1.658 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc2[nH+]ccn2c1 ZINC000370545628 284024272 /nfs/dbraw/zinc/02/42/72/284024272.db2.gz GTCXFXHJLZCVPG-CVEARBPZSA-N 2 2 328.416 1.708 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1C ZINC000414833773 304146157 /nfs/dbraw/zinc/14/61/57/304146157.db2.gz QCOZGOKAENBJNN-QGZVFWFLSA-N 2 2 330.432 1.853 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329461027 296140213 /nfs/dbraw/zinc/14/02/13/296140213.db2.gz SJMMCAGMYBMSKU-MRXNPFEDSA-N 2 2 332.448 1.617 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329461027 296140215 /nfs/dbraw/zinc/14/02/15/296140215.db2.gz SJMMCAGMYBMSKU-MRXNPFEDSA-N 2 2 332.448 1.617 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000351515365 284282426 /nfs/dbraw/zinc/28/24/26/284282426.db2.gz BVCKBPFBLOSWJJ-NVXWUHKLSA-N 2 2 339.480 1.251 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000351515365 284282429 /nfs/dbraw/zinc/28/24/29/284282429.db2.gz BVCKBPFBLOSWJJ-NVXWUHKLSA-N 2 2 339.480 1.251 20 0 EDADLP CC(C)(C)CC[NH+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000110256988 220027365 /nfs/dbraw/zinc/02/73/65/220027365.db2.gz ZKWURLPNBICFFW-INIZCTEOSA-N 2 2 347.507 1.996 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000236886558 139034132 /nfs/dbraw/zinc/03/41/32/139034132.db2.gz YZMGQFACBIZZMO-IBGZPJMESA-N 2 2 346.519 1.814 20 0 EDADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cncn3C)cc2)CC1 ZINC000236962841 139036708 /nfs/dbraw/zinc/03/67/08/139036708.db2.gz QADCAUHVGKVKJO-UHFFFAOYSA-N 2 2 327.476 1.847 20 0 EDADLP C[NH+]1CCN(c2cc(C[NH2+][C@H](C(N)=O)c3ccccc3)ccn2)CC1 ZINC000079304182 217205797 /nfs/dbraw/zinc/20/57/97/217205797.db2.gz CATBRVWKTCIKAS-SFHVURJKSA-N 2 2 339.443 1.150 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000237171700 139042868 /nfs/dbraw/zinc/04/28/68/139042868.db2.gz XAOUWRJJYGMCGH-CQSZACIVSA-N 2 2 339.867 1.719 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237366036 139049423 /nfs/dbraw/zinc/04/94/23/139049423.db2.gz MBIXAQGXGMDNBH-DLBZAZTESA-N 2 2 330.476 1.752 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243718 220121084 /nfs/dbraw/zinc/12/10/84/220121084.db2.gz MSDHBTWYXCZZDN-JTQLQIEISA-N 2 2 347.341 1.297 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237607753 139055644 /nfs/dbraw/zinc/05/56/44/139055644.db2.gz FTWPFQASKMAYTF-ALOPSCKCSA-N 2 2 346.475 1.856 20 0 EDADLP [NH3+]CCCCCCC(=O)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000237974471 139065498 /nfs/dbraw/zinc/06/54/98/139065498.db2.gz OHFKTTIBRGEOCL-UHFFFAOYSA-N 2 2 338.496 1.052 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000238111183 139069141 /nfs/dbraw/zinc/06/91/41/139069141.db2.gz YJDJEIZEDDWGPH-MSOLQXFVSA-N 2 2 343.471 1.566 20 0 EDADLP CCC[C@@H](C(=O)OCC)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245416284 139073040 /nfs/dbraw/zinc/07/30/40/139073040.db2.gz FAAAQURXKGPIRK-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000245538070 139078386 /nfs/dbraw/zinc/07/83/86/139078386.db2.gz JBMZKJNNBXJDSS-DOTOQJQBSA-N 2 2 344.459 1.420 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000245538070 139078387 /nfs/dbraw/zinc/07/83/87/139078387.db2.gz JBMZKJNNBXJDSS-DOTOQJQBSA-N 2 2 344.459 1.420 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245600962 139080583 /nfs/dbraw/zinc/08/05/83/139080583.db2.gz IVTKSQUTZMPAOE-FVQBIDKESA-N 2 2 328.420 1.305 20 0 EDADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245600962 139080584 /nfs/dbraw/zinc/08/05/84/139080584.db2.gz IVTKSQUTZMPAOE-FVQBIDKESA-N 2 2 328.420 1.305 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)C1 ZINC000415291794 304187232 /nfs/dbraw/zinc/18/72/32/304187232.db2.gz AMFHGQMMVHNTFR-CYBMUJFWSA-N 2 2 341.415 1.210 20 0 EDADLP O=C1O[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CN1c1ccccc1 ZINC000246725189 139118833 /nfs/dbraw/zinc/11/88/33/139118833.db2.gz LVCUNYAVEPGIMK-FUHWJXTLSA-N 2 2 345.443 1.666 20 0 EDADLP O=C1O[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CN1c1ccccc1 ZINC000246725189 139118834 /nfs/dbraw/zinc/11/88/34/139118834.db2.gz LVCUNYAVEPGIMK-FUHWJXTLSA-N 2 2 345.443 1.666 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246863509 139124587 /nfs/dbraw/zinc/12/45/87/139124587.db2.gz LEAAMGGDEFZTHZ-MAUKXSAKSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246863509 139124588 /nfs/dbraw/zinc/12/45/88/139124588.db2.gz LEAAMGGDEFZTHZ-MAUKXSAKSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246863509 139124589 /nfs/dbraw/zinc/12/45/89/139124589.db2.gz LEAAMGGDEFZTHZ-MAUKXSAKSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246863509 139124590 /nfs/dbraw/zinc/12/45/90/139124590.db2.gz LEAAMGGDEFZTHZ-MAUKXSAKSA-N 2 2 344.459 2.000 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000568110352 306472579 /nfs/dbraw/zinc/47/25/79/306472579.db2.gz VNYQWBJKZZTHPV-INIZCTEOSA-N 2 2 332.448 1.274 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)on1 ZINC000247442832 139148785 /nfs/dbraw/zinc/14/87/85/139148785.db2.gz XINXMOVAGPLSDM-KGLIPLIRSA-N 2 2 331.420 1.998 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)on1 ZINC000247442832 139148786 /nfs/dbraw/zinc/14/87/86/139148786.db2.gz XINXMOVAGPLSDM-KGLIPLIRSA-N 2 2 331.420 1.998 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000247782823 139154889 /nfs/dbraw/zinc/15/48/89/139154889.db2.gz XWTKDTFNDGRJDZ-WDEREUQCSA-N 2 2 347.341 1.154 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000247782823 139154890 /nfs/dbraw/zinc/15/48/90/139154890.db2.gz XWTKDTFNDGRJDZ-WDEREUQCSA-N 2 2 347.341 1.154 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247700452 139154071 /nfs/dbraw/zinc/15/40/71/139154071.db2.gz UOPJIQPSMZBXPB-BBWFWOEESA-N 2 2 349.479 1.586 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247700452 139154072 /nfs/dbraw/zinc/15/40/72/139154072.db2.gz UOPJIQPSMZBXPB-BBWFWOEESA-N 2 2 349.479 1.586 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2[nH+]c1C1CC1 ZINC000415389152 304211460 /nfs/dbraw/zinc/21/14/60/304211460.db2.gz ZAIFPJVPYDFEPX-CYBMUJFWSA-N 2 2 341.415 1.257 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](C)C[NH2+]C)CCCC2)no1 ZINC000236933972 284738580 /nfs/dbraw/zinc/73/85/80/284738580.db2.gz XCVQFRMEBMIKSG-CYBMUJFWSA-N 2 2 337.468 1.652 20 0 EDADLP CC[C@@H](C)C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000093075644 218192092 /nfs/dbraw/zinc/19/20/92/218192092.db2.gz HZMJFUDXEYIHFQ-OAHLLOKOSA-N 2 2 339.505 1.758 20 0 EDADLP COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC000094134810 218266805 /nfs/dbraw/zinc/26/68/05/218266805.db2.gz UNWXRTXJCCWQRQ-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(O)c1 ZINC000094134810 218266807 /nfs/dbraw/zinc/26/68/07/218266807.db2.gz UNWXRTXJCCWQRQ-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000261607273 139210244 /nfs/dbraw/zinc/21/02/44/139210244.db2.gz RQBCFSSSAUHCMP-BHIYHBOVSA-N 2 2 333.476 1.244 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)c1c(F)cccc1F ZINC000261671607 139216093 /nfs/dbraw/zinc/21/60/93/139216093.db2.gz GGPDGUGGUDJGBY-GDBMZVCRSA-N 2 2 341.402 1.438 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000261737244 139221845 /nfs/dbraw/zinc/22/18/45/139221845.db2.gz LMWMXULRARRSGH-HDEZJCGLSA-N 2 2 346.475 1.829 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000261921678 139237226 /nfs/dbraw/zinc/23/72/26/139237226.db2.gz KNLKINLPWZXSLH-KRWDZBQOSA-N 2 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000261921678 139237227 /nfs/dbraw/zinc/23/72/27/139237227.db2.gz KNLKINLPWZXSLH-KRWDZBQOSA-N 2 2 339.443 1.269 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261923764 139237429 /nfs/dbraw/zinc/23/74/29/139237429.db2.gz YYKIXWCRCWLRFP-LJQANCHMSA-N 2 2 333.476 1.803 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261923764 139237430 /nfs/dbraw/zinc/23/74/30/139237430.db2.gz YYKIXWCRCWLRFP-LJQANCHMSA-N 2 2 333.476 1.803 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)c[nH+]2)CCO1 ZINC000261979217 139241458 /nfs/dbraw/zinc/24/14/58/139241458.db2.gz WBUDZKHVXCVSAB-GOEBONIOSA-N 2 2 344.459 1.313 20 0 EDADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262011837 139243785 /nfs/dbraw/zinc/24/37/85/139243785.db2.gz HOKPBTFFHBEBED-GOSISDBHSA-N 2 2 339.443 1.051 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC000262063325 139247770 /nfs/dbraw/zinc/24/77/70/139247770.db2.gz RKAQTIBYOKJYFO-QGZVFWFLSA-N 2 2 341.459 1.692 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nccn1-c1ccccc1 ZINC000262063325 139247771 /nfs/dbraw/zinc/24/77/71/139247771.db2.gz RKAQTIBYOKJYFO-QGZVFWFLSA-N 2 2 341.459 1.692 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000262200635 139259492 /nfs/dbraw/zinc/25/94/92/139259492.db2.gz CZVPFLSVMDYLCQ-NHYWBVRUSA-N 2 2 327.375 1.019 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000262200635 139259493 /nfs/dbraw/zinc/25/94/93/139259493.db2.gz CZVPFLSVMDYLCQ-NHYWBVRUSA-N 2 2 327.375 1.019 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000416013766 251046148 /nfs/dbraw/zinc/04/61/48/251046148.db2.gz UPKMSFHLDFHEKT-GHMZBOCLSA-N 2 2 331.342 1.239 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000262305020 139268475 /nfs/dbraw/zinc/26/84/75/139268475.db2.gz BESQLSSFCXTCEC-GDBMZVCRSA-N 2 2 332.379 1.143 20 0 EDADLP CC(C)(CNC(=O)NCC[NH2+]C1CCCCCC1)[NH+]1CCOCC1 ZINC000416831664 251111911 /nfs/dbraw/zinc/11/19/11/251111911.db2.gz SVEXRONORNWZLL-UHFFFAOYSA-N 2 2 340.512 1.709 20 0 EDADLP C[C@@H]([NH3+])CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416832304 251112604 /nfs/dbraw/zinc/11/26/04/251112604.db2.gz WECLWDLNDLMEMY-OLZOCXBDSA-N 2 2 326.466 1.158 20 0 EDADLP COc1ccc([C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000262347098 139272134 /nfs/dbraw/zinc/27/21/34/139272134.db2.gz GBBTWCHKNGFBHW-RHSMWYFYSA-N 2 2 344.415 1.013 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC[NH2+]1 ZINC000262360354 139273072 /nfs/dbraw/zinc/27/30/72/139273072.db2.gz ILNFKFLRETUYBP-SZMVWBNQSA-N 2 2 331.460 1.564 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417654859 251214239 /nfs/dbraw/zinc/21/42/39/251214239.db2.gz DEEZBKIOSBDDPD-UONOGXRCSA-N 2 2 328.407 1.850 20 0 EDADLP O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000262396009 139275980 /nfs/dbraw/zinc/27/59/80/139275980.db2.gz OWDWXEIPTMVDJL-IUODEOHRSA-N 2 2 347.802 1.837 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000418685333 251386142 /nfs/dbraw/zinc/38/61/42/251386142.db2.gz ZABYJQRYNNAYKE-ROUUACIJSA-N 2 2 348.491 1.877 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000418685333 251386145 /nfs/dbraw/zinc/38/61/45/251386145.db2.gz ZABYJQRYNNAYKE-ROUUACIJSA-N 2 2 348.491 1.877 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cn2c1 ZINC000262701815 139297479 /nfs/dbraw/zinc/29/74/79/139297479.db2.gz AUSJSNRHPDJMGT-UKRRQHHQSA-N 2 2 332.473 1.990 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000422879000 252009478 /nfs/dbraw/zinc/00/94/78/252009478.db2.gz JXHPSWLHXBVIMQ-GOSISDBHSA-N 3 2 330.476 1.306 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)cn2)CC1 ZINC000422882535 252009833 /nfs/dbraw/zinc/00/98/33/252009833.db2.gz SNGBLXIUQSVEKU-AEFFLSMTSA-N 3 2 347.507 1.080 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422879699 252010914 /nfs/dbraw/zinc/01/09/14/252010914.db2.gz KTIIIWKRJLHUCZ-HOTGVXAUSA-N 2 2 349.475 1.830 20 0 EDADLP COc1cc(OC)c(CC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c(OC)c1 ZINC000422885811 252012582 /nfs/dbraw/zinc/01/25/82/252012582.db2.gz HFIGAOIOMUDZMF-UONOGXRCSA-N 2 2 338.448 1.612 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CC[NH2+]C2)CN1Cc1ccccc1C(F)(F)F ZINC000423056255 252028616 /nfs/dbraw/zinc/02/86/16/252028616.db2.gz XWIREKDSXLJAPD-STQMWFEESA-N 2 2 327.350 1.758 20 0 EDADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000423523636 252059810 /nfs/dbraw/zinc/05/98/10/252059810.db2.gz SEUTYBCWNMRFPP-WOJBJXKFSA-N 2 2 346.519 1.116 20 0 EDADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000423523527 252059825 /nfs/dbraw/zinc/05/98/25/252059825.db2.gz SAWWSTQMXHVDRQ-AZUAARDMSA-N 2 2 340.471 1.867 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)CCC2 ZINC000423525003 252059933 /nfs/dbraw/zinc/05/99/33/252059933.db2.gz TVFKBLHABPWGNP-UONOGXRCSA-N 2 2 335.448 1.635 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)cc[nH+]1 ZINC000423782499 252073174 /nfs/dbraw/zinc/07/31/74/252073174.db2.gz MGLIFGYNGDSKKA-MRXNPFEDSA-N 2 2 325.416 1.004 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424168713 252150738 /nfs/dbraw/zinc/15/07/38/252150738.db2.gz ITGVSZBXZKHHKN-ZIAGYGMSSA-N 2 2 340.431 1.280 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3[NH3+])C2=O)c1 ZINC000424337553 252198698 /nfs/dbraw/zinc/19/86/98/252198698.db2.gz SEIHGMFKEJYALM-ZACQAIPSSA-N 2 2 333.432 1.669 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)[NH+](C)C)c1 ZINC000262977122 139316418 /nfs/dbraw/zinc/31/64/18/139316418.db2.gz MKHLOSOLDPPEFM-ZIAGYGMSSA-N 2 2 327.375 1.411 20 0 EDADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000426169051 252319948 /nfs/dbraw/zinc/31/99/48/252319948.db2.gz YBACUMQQEKUEHH-MRXNPFEDSA-N 2 2 347.507 1.706 20 0 EDADLP [NH3+]C1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000569793447 306520208 /nfs/dbraw/zinc/52/02/08/306520208.db2.gz NKUIPAZKTJFMCG-KRWDZBQOSA-N 2 2 332.448 1.193 20 0 EDADLP O=S1(=O)CC[C@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000269387754 285070397 /nfs/dbraw/zinc/07/03/97/285070397.db2.gz UKIVJTPAVBTMIC-AWEZNQCLSA-N 2 2 331.441 1.544 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000263249326 139330876 /nfs/dbraw/zinc/33/08/76/139330876.db2.gz PQERXTJNYHALDQ-YJBOKZPZSA-N 2 2 332.448 1.442 20 0 EDADLP CCn1c[nH+]cc1CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000569947448 306526695 /nfs/dbraw/zinc/52/66/95/306526695.db2.gz SJCWARURMYPTMO-UHFFFAOYSA-N 2 2 341.459 1.832 20 0 EDADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C1CC1 ZINC000181582171 533085587 /nfs/dbraw/zinc/08/55/87/533085587.db2.gz KFTCGAKBJQLNKS-IBGZPJMESA-N 2 2 345.487 1.654 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000112739498 220390961 /nfs/dbraw/zinc/39/09/61/220390961.db2.gz AOBDQJHKMIGPTB-UHFFFAOYSA-N 2 2 349.479 1.334 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000246953403 285200991 /nfs/dbraw/zinc/20/09/91/285200991.db2.gz PGIJRMKURDFMQX-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000246953403 285200992 /nfs/dbraw/zinc/20/09/92/285200992.db2.gz PGIJRMKURDFMQX-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP O=C(CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000459782704 255000096 /nfs/dbraw/zinc/00/00/96/255000096.db2.gz OTEUCKUIDFRRMN-IKGGRYGDSA-N 2 2 328.460 1.899 20 0 EDADLP C[NH+](C)C/C=C\C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000491641484 255136144 /nfs/dbraw/zinc/13/61/44/255136144.db2.gz KGXAEBXHTZKKRI-DAXSKMNVSA-N 2 2 347.459 1.132 20 0 EDADLP O=C(/C=C\c1ccccc1)NCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000493744444 255220452 /nfs/dbraw/zinc/22/04/52/255220452.db2.gz YNMDBEFYCYTZQL-XHKZUWJLSA-N 2 2 343.471 1.563 20 0 EDADLP CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000493122238 255192637 /nfs/dbraw/zinc/19/26/37/255192637.db2.gz BNEMNAMRJRPFPW-ZMMKQQPBSA-N 2 2 331.460 1.978 20 0 EDADLP CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000493122238 255192638 /nfs/dbraw/zinc/19/26/38/255192638.db2.gz BNEMNAMRJRPFPW-ZMMKQQPBSA-N 2 2 331.460 1.978 20 0 EDADLP COCC(C)(C)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000494600736 255255467 /nfs/dbraw/zinc/25/54/67/255255467.db2.gz DQBHQQKUBMQGCA-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP COCC(C)(C)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000494600736 255255468 /nfs/dbraw/zinc/25/54/68/255255468.db2.gz DQBHQQKUBMQGCA-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000496040091 255345421 /nfs/dbraw/zinc/34/54/21/255345421.db2.gz BXNWISGCOYNNMV-KRWDZBQOSA-N 2 2 338.452 1.625 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cnccc1NC(=O)OC(C)(C)C ZINC000496454446 255393227 /nfs/dbraw/zinc/39/32/27/255393227.db2.gz RQLGXDBZZIHBLI-QWHCGFSZSA-N 2 2 338.452 1.424 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000263944448 139371236 /nfs/dbraw/zinc/37/12/36/139371236.db2.gz IFTBZLGGTWVULI-UHFFFAOYSA-N 2 2 342.447 1.893 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000263944448 139371237 /nfs/dbraw/zinc/37/12/37/139371237.db2.gz IFTBZLGGTWVULI-UHFFFAOYSA-N 2 2 342.447 1.893 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000119760777 221395217 /nfs/dbraw/zinc/39/52/17/221395217.db2.gz DYKSFCIHEXFZEQ-ZIAGYGMSSA-N 2 2 333.432 1.619 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C(=O)OC)c3ccccc3C)C2)CC1 ZINC000248622027 285337315 /nfs/dbraw/zinc/33/73/15/285337315.db2.gz NKXDWFPMNXSBOU-PKOBYXMFSA-N 2 2 345.487 1.921 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(=O)OC)c3ccccc3C)C2)CC1 ZINC000248622027 285337317 /nfs/dbraw/zinc/33/73/17/285337317.db2.gz NKXDWFPMNXSBOU-PKOBYXMFSA-N 2 2 345.487 1.921 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000415928822 304285968 /nfs/dbraw/zinc/28/59/68/304285968.db2.gz GBMQXGKDWBBNKF-DLBZAZTESA-N 2 2 332.448 1.733 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000415928822 304285970 /nfs/dbraw/zinc/28/59/70/304285970.db2.gz GBMQXGKDWBBNKF-DLBZAZTESA-N 2 2 332.448 1.733 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158585263 533490122 /nfs/dbraw/zinc/49/01/22/533490122.db2.gz CQBFPVXUIADIIW-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158585263 533490126 /nfs/dbraw/zinc/49/01/26/533490126.db2.gz CQBFPVXUIADIIW-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158585263 533490130 /nfs/dbraw/zinc/49/01/30/533490130.db2.gz CQBFPVXUIADIIW-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158585263 533490132 /nfs/dbraw/zinc/49/01/32/533490132.db2.gz CQBFPVXUIADIIW-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C2CC2)c1 ZINC000269892516 140013851 /nfs/dbraw/zinc/01/38/51/140013851.db2.gz DPMVQVQZJHNWBE-MOPGFXCFSA-N 2 2 345.487 1.946 20 0 EDADLP COc1cccc(C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C2CC2)c1 ZINC000269892516 140013852 /nfs/dbraw/zinc/01/38/52/140013852.db2.gz DPMVQVQZJHNWBE-MOPGFXCFSA-N 2 2 345.487 1.946 20 0 EDADLP Cc1cc(C[NH+]2CCC([N@H+](C)CCO)CC2)ccc1-n1cncn1 ZINC000271146310 140246011 /nfs/dbraw/zinc/24/60/11/140246011.db2.gz ATLHOFWJKRYYBA-UHFFFAOYSA-N 2 2 329.448 1.464 20 0 EDADLP Cc1cc(C[NH+]2CCC([N@@H+](C)CCO)CC2)ccc1-n1cncn1 ZINC000271146310 140246012 /nfs/dbraw/zinc/24/60/12/140246012.db2.gz ATLHOFWJKRYYBA-UHFFFAOYSA-N 2 2 329.448 1.464 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000271188020 140253654 /nfs/dbraw/zinc/25/36/54/140253654.db2.gz ZXJZJJCHQAOCFW-IRXDYDNUSA-N 2 2 346.475 1.255 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@H]3CCC[N@@H+]3C)n2)c1C ZINC000331432493 141025779 /nfs/dbraw/zinc/02/57/79/141025779.db2.gz MIWZKQCWCKYYDT-CQSZACIVSA-N 2 2 344.419 1.380 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@H]3CCC[N@H+]3C)n2)c1C ZINC000331432493 141025780 /nfs/dbraw/zinc/02/57/80/141025780.db2.gz MIWZKQCWCKYYDT-CQSZACIVSA-N 2 2 344.419 1.380 20 0 EDADLP C[C@]1(CO)CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331462101 141033691 /nfs/dbraw/zinc/03/36/91/141033691.db2.gz NMIGHFXMDLRESL-VQIMIIECSA-N 2 2 346.475 1.261 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000331995314 141107946 /nfs/dbraw/zinc/10/79/46/141107946.db2.gz ZXQVBMBWYRWENN-OAHLLOKOSA-N 2 2 328.416 1.583 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC([C@@H]4CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000333130999 141268886 /nfs/dbraw/zinc/26/88/86/141268886.db2.gz AZZPKONNPMOREO-NVXWUHKLSA-N 2 2 345.491 1.511 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC([C@@H]4CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000333130999 141268887 /nfs/dbraw/zinc/26/88/87/141268887.db2.gz AZZPKONNPMOREO-NVXWUHKLSA-N 2 2 345.491 1.511 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]cn1 ZINC000333539113 141333585 /nfs/dbraw/zinc/33/35/85/141333585.db2.gz NOSYWHMERCPXEX-IAGOWNOFSA-N 2 2 345.491 1.796 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc[nH+]1 ZINC000333539113 141333586 /nfs/dbraw/zinc/33/35/86/141333586.db2.gz NOSYWHMERCPXEX-IAGOWNOFSA-N 2 2 345.491 1.796 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333575453 141339451 /nfs/dbraw/zinc/33/94/51/141339451.db2.gz SOJFDWMIIZDRJJ-UKRRQHHQSA-N 2 2 338.477 1.125 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@H]3CCCn4cc[nH+]c43)[nH+]cn2)C1 ZINC000333686375 141357703 /nfs/dbraw/zinc/35/77/03/141357703.db2.gz AKWJHLHQTLRKDF-RRFJBIMHSA-N 2 2 342.447 1.870 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333715625 141364243 /nfs/dbraw/zinc/36/42/43/141364243.db2.gz TUQSNSAWQMCHBD-AUUYWEPGSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333715625 141364244 /nfs/dbraw/zinc/36/42/44/141364244.db2.gz TUQSNSAWQMCHBD-AUUYWEPGSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333742770 141370852 /nfs/dbraw/zinc/37/08/52/141370852.db2.gz XUYGGAQDJQRNPX-DOTOQJQBSA-N 2 2 331.464 1.612 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000339372963 142029784 /nfs/dbraw/zinc/02/97/84/142029784.db2.gz BWUIEKQEPPTUIZ-UHFFFAOYSA-N 2 2 349.479 1.800 20 0 EDADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339661005 142111316 /nfs/dbraw/zinc/11/13/16/142111316.db2.gz LCJUBQLUMUKLML-AWEZNQCLSA-N 2 2 344.415 1.098 20 0 EDADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339661005 142111317 /nfs/dbraw/zinc/11/13/17/142111317.db2.gz LCJUBQLUMUKLML-AWEZNQCLSA-N 2 2 344.415 1.098 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cn2cc[nH+]c12 ZINC000340370487 142363046 /nfs/dbraw/zinc/36/30/46/142363046.db2.gz REJVOZFGOJZQKE-OAHLLOKOSA-N 2 2 343.431 1.380 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cn2cc[nH+]c12 ZINC000340370487 142363047 /nfs/dbraw/zinc/36/30/47/142363047.db2.gz REJVOZFGOJZQKE-OAHLLOKOSA-N 2 2 343.431 1.380 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000343717951 142879165 /nfs/dbraw/zinc/87/91/65/142879165.db2.gz ACWWXPXUDYDTCG-IBGZPJMESA-N 2 2 345.491 1.234 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000345163167 143059759 /nfs/dbraw/zinc/05/97/59/143059759.db2.gz AHQDMUIBTHQDPE-IAGOWNOFSA-N 2 2 346.475 1.335 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000345163167 143059760 /nfs/dbraw/zinc/05/97/60/143059760.db2.gz AHQDMUIBTHQDPE-IAGOWNOFSA-N 2 2 346.475 1.335 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCC[N@@H+]1C ZINC000345317182 143077084 /nfs/dbraw/zinc/07/70/84/143077084.db2.gz KKDVGUUWYZEZBD-YJBOKZPZSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCC[N@H+]1C ZINC000345317182 143077085 /nfs/dbraw/zinc/07/70/85/143077085.db2.gz KKDVGUUWYZEZBD-YJBOKZPZSA-N 2 2 331.460 1.731 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNc3cccc(F)c3)CC2)CC1 ZINC000345685517 143121290 /nfs/dbraw/zinc/12/12/90/143121290.db2.gz BLNROVXDNSKIKG-UHFFFAOYSA-N 2 2 348.466 1.912 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000345829596 143137619 /nfs/dbraw/zinc/13/76/19/143137619.db2.gz ZBKRQDVRSLKAKG-UHFFFAOYSA-N 2 2 340.512 1.071 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000345829596 143137620 /nfs/dbraw/zinc/13/76/20/143137620.db2.gz ZBKRQDVRSLKAKG-UHFFFAOYSA-N 2 2 340.512 1.071 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000346258761 143184359 /nfs/dbraw/zinc/18/43/59/143184359.db2.gz VBMZBVUMBLATQD-UHFFFAOYSA-N 2 2 330.476 1.952 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000346258761 143184360 /nfs/dbraw/zinc/18/43/60/143184360.db2.gz VBMZBVUMBLATQD-UHFFFAOYSA-N 2 2 330.476 1.952 20 0 EDADLP C(CC[NH+]1CCOCC1)Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000346795331 143246464 /nfs/dbraw/zinc/24/64/64/143246464.db2.gz QFCLPQSVQJKJMT-CABCVRRESA-N 2 2 336.436 1.260 20 0 EDADLP C(CC[NH+]1CCOCC1)Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000346795331 143246465 /nfs/dbraw/zinc/24/64/65/143246465.db2.gz QFCLPQSVQJKJMT-CABCVRRESA-N 2 2 336.436 1.260 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1c(Cl)ccc2cccnc21 ZINC000347128253 143285836 /nfs/dbraw/zinc/28/58/36/143285836.db2.gz PEHYHKHQFLFSNL-UHFFFAOYSA-N 2 2 332.835 1.752 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1c(Cl)ccc2cccnc21 ZINC000347128253 143285837 /nfs/dbraw/zinc/28/58/37/143285837.db2.gz PEHYHKHQFLFSNL-UHFFFAOYSA-N 2 2 332.835 1.752 20 0 EDADLP OC[C@@H]1CC[C@@H](CO)[NH+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000347276900 143302896 /nfs/dbraw/zinc/30/28/96/143302896.db2.gz OHUAYVZLZNLGQP-OALUTQOASA-N 2 2 333.476 1.016 20 0 EDADLP C[C@]1(O)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000347563302 143335436 /nfs/dbraw/zinc/33/54/36/143335436.db2.gz IOCCXHGGOWSHQU-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP C[C@]1(O)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000347563302 143335437 /nfs/dbraw/zinc/33/54/37/143335437.db2.gz IOCCXHGGOWSHQU-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000347667874 143347476 /nfs/dbraw/zinc/34/74/76/143347476.db2.gz MKYOVBNEELBEGJ-BVBHFADKSA-N 2 2 342.487 1.125 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000347667874 143347477 /nfs/dbraw/zinc/34/74/77/143347477.db2.gz MKYOVBNEELBEGJ-BVBHFADKSA-N 2 2 342.487 1.125 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000347751624 143358122 /nfs/dbraw/zinc/35/81/22/143358122.db2.gz IMAPYYSYMUCHBR-UHFFFAOYSA-N 2 2 332.452 1.461 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000416859795 304352830 /nfs/dbraw/zinc/35/28/30/304352830.db2.gz UTDOWLKZQBNHAF-CVEARBPZSA-N 2 2 341.459 1.986 20 0 EDADLP [NH3+][C@H](CNC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000416861173 304352863 /nfs/dbraw/zinc/35/28/63/304352863.db2.gz JMZOTAHSBMBCPJ-QGZVFWFLSA-N 2 2 332.448 1.055 20 0 EDADLP CCOc1c(OC)cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000352696124 149119945 /nfs/dbraw/zinc/11/99/45/149119945.db2.gz ZQAKFXAOWTZGFR-INIZCTEOSA-N 2 2 349.475 1.582 20 0 EDADLP COC[C@@]1(CNC(=O)NCCn2c(C)[nH+]c3ccccc32)CCC[NH2+]1 ZINC000416897475 304354233 /nfs/dbraw/zinc/35/42/33/304354233.db2.gz XVBLOARARMWHJX-SFHVURJKSA-N 2 2 345.447 1.413 20 0 EDADLP Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2ncc(C[NH+](C)C)s2)cnn1C ZINC000352742857 149145571 /nfs/dbraw/zinc/14/55/71/149145571.db2.gz REQKRJOQTQOEEM-GOEBONIOSA-N 2 2 335.477 1.866 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416898654 304354335 /nfs/dbraw/zinc/35/43/35/304354335.db2.gz BRJYTDBXMJOHHE-LSDHHAIUSA-N 2 2 333.411 1.931 20 0 EDADLP CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352873048 149197522 /nfs/dbraw/zinc/19/75/22/149197522.db2.gz SIRGXEGQPWVSGE-KRWDZBQOSA-N 2 2 339.505 1.389 20 0 EDADLP CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352891869 149205852 /nfs/dbraw/zinc/20/58/52/149205852.db2.gz IXJKLNLPCOGBEN-IBGZPJMESA-N 2 2 333.476 1.327 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000352999772 149247756 /nfs/dbraw/zinc/24/77/56/149247756.db2.gz KZWLOJLLTLTKAY-GOSISDBHSA-N 2 2 331.460 1.484 20 0 EDADLP Cc1nocc1C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000353061437 149270678 /nfs/dbraw/zinc/27/06/78/149270678.db2.gz GJANQULDAHZOEL-CABCVRRESA-N 2 2 348.426 1.888 20 0 EDADLP Cc1nocc1C[N@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000353061437 149270681 /nfs/dbraw/zinc/27/06/81/149270681.db2.gz GJANQULDAHZOEL-CABCVRRESA-N 2 2 348.426 1.888 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416902826 304355076 /nfs/dbraw/zinc/35/50/76/304355076.db2.gz BWDAZFAPWFLAOS-WFASDCNBSA-N 2 2 331.395 1.652 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)[NH+]2CCOCC2)s1 ZINC000353226013 149331738 /nfs/dbraw/zinc/33/17/38/149331738.db2.gz CDSPMGFHJOQXBT-GJZGRUSLSA-N 2 2 339.505 1.919 20 0 EDADLP COc1cc2c(c(C[N@H+](C)C3CC[NH+](CCO)CC3)c1)O[C@@H](C)C2 ZINC000353347854 149375693 /nfs/dbraw/zinc/37/56/93/149375693.db2.gz DFXISVIYGXGRIA-AWEZNQCLSA-N 2 2 334.460 1.907 20 0 EDADLP COc1cc2c(c(C[N@@H+](C)C3CC[NH+](CCO)CC3)c1)O[C@@H](C)C2 ZINC000353347854 149375695 /nfs/dbraw/zinc/37/56/95/149375695.db2.gz DFXISVIYGXGRIA-AWEZNQCLSA-N 2 2 334.460 1.907 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CCCC1 ZINC000416975597 304358822 /nfs/dbraw/zinc/35/88/22/304358822.db2.gz OBSFVLXVWLLCBR-INIZCTEOSA-N 2 2 331.464 1.999 20 0 EDADLP CC(C)S(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369960072 155252657 /nfs/dbraw/zinc/25/26/57/155252657.db2.gz IWEWWYROYIIJAA-OAGGEKHMSA-N 2 2 332.510 1.289 20 0 EDADLP CC(C)S(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369960072 155252664 /nfs/dbraw/zinc/25/26/64/155252664.db2.gz IWEWWYROYIIJAA-OAGGEKHMSA-N 2 2 332.510 1.289 20 0 EDADLP C[C@@H]1CN(C(=O)NCCC(F)(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355071436 150103835 /nfs/dbraw/zinc/10/38/35/150103835.db2.gz ODBGBKIKMXJKGH-GFCCVEGCSA-N 2 2 336.402 1.749 20 0 EDADLP C[C@@H]1CN(C(=O)NCCC(F)(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355071436 150103837 /nfs/dbraw/zinc/10/38/37/150103837.db2.gz ODBGBKIKMXJKGH-GFCCVEGCSA-N 2 2 336.402 1.749 20 0 EDADLP C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000355135963 150133055 /nfs/dbraw/zinc/13/30/55/150133055.db2.gz FDPAALLOZOWQIW-HOTGVXAUSA-N 2 2 342.443 1.770 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)no1 ZINC000355700815 150365224 /nfs/dbraw/zinc/36/52/24/150365224.db2.gz KJVDXXVEPZEOJB-MRXNPFEDSA-N 2 2 334.395 1.908 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000357080770 150915707 /nfs/dbraw/zinc/91/57/07/150915707.db2.gz NEDYDDDGOCQQBL-IAGOWNOFSA-N 2 2 339.443 1.030 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000357080770 150915709 /nfs/dbraw/zinc/91/57/09/150915709.db2.gz NEDYDDDGOCQQBL-IAGOWNOFSA-N 2 2 339.443 1.030 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357628314 151091671 /nfs/dbraw/zinc/09/16/71/151091671.db2.gz PASSUJZDGQRMJO-JKSUJKDBSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357628314 151091674 /nfs/dbraw/zinc/09/16/74/151091674.db2.gz PASSUJZDGQRMJO-JKSUJKDBSA-N 2 2 325.497 1.555 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2c(c1)CCC2)C1CC[NH+](CCO)CC1 ZINC000357646892 151099530 /nfs/dbraw/zinc/09/95/30/151099530.db2.gz IXGFQZVVDLZKBZ-UHFFFAOYSA-N 2 2 331.460 1.502 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)CCC2)C1CC[NH+](CCO)CC1 ZINC000357646892 151099532 /nfs/dbraw/zinc/09/95/32/151099532.db2.gz IXGFQZVVDLZKBZ-UHFFFAOYSA-N 2 2 331.460 1.502 20 0 EDADLP C[C@H]1COCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000357878551 151181596 /nfs/dbraw/zinc/18/15/96/151181596.db2.gz MHJDOKYTRQOESZ-JKSUJKDBSA-N 2 2 340.512 1.326 20 0 EDADLP C[C@H]1COCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357878551 151181599 /nfs/dbraw/zinc/18/15/99/151181599.db2.gz MHJDOKYTRQOESZ-JKSUJKDBSA-N 2 2 340.512 1.326 20 0 EDADLP CC1(C)CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000417073563 304369935 /nfs/dbraw/zinc/36/99/35/304369935.db2.gz MKPFVAQOFFHFDP-UHFFFAOYSA-N 2 2 327.432 1.825 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000358157262 151290160 /nfs/dbraw/zinc/29/01/60/151290160.db2.gz HEHROJGGEXWIHV-GJZGRUSLSA-N 2 2 336.484 1.147 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000358157262 151290164 /nfs/dbraw/zinc/29/01/64/151290164.db2.gz HEHROJGGEXWIHV-GJZGRUSLSA-N 2 2 336.484 1.147 20 0 EDADLP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2noc(C)n2)CC1 ZINC000358218776 151309391 /nfs/dbraw/zinc/30/93/91/151309391.db2.gz GXOJSEARMLOJIO-OAHLLOKOSA-N 2 2 337.468 1.533 20 0 EDADLP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2noc(C)n2)CC1 ZINC000358218776 151309392 /nfs/dbraw/zinc/30/93/92/151309392.db2.gz GXOJSEARMLOJIO-OAHLLOKOSA-N 2 2 337.468 1.533 20 0 EDADLP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000358218776 151309393 /nfs/dbraw/zinc/30/93/93/151309393.db2.gz GXOJSEARMLOJIO-OAHLLOKOSA-N 2 2 337.468 1.533 20 0 EDADLP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000358218776 151309394 /nfs/dbraw/zinc/30/93/94/151309394.db2.gz GXOJSEARMLOJIO-OAHLLOKOSA-N 2 2 337.468 1.533 20 0 EDADLP COc1ccc([C@H](NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C(C)C)cc1 ZINC000359294128 151674613 /nfs/dbraw/zinc/67/46/13/151674613.db2.gz BAPIHAFNHIILPN-TXPKVOOTSA-N 2 2 331.460 1.660 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCCOc1ccc(Cl)cc1 ZINC000360562166 152097099 /nfs/dbraw/zinc/09/70/99/152097099.db2.gz LHUKQJPEJVPLQH-QGZVFWFLSA-N 2 2 337.851 1.520 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCCOc1ccc(Cl)cc1 ZINC000360562166 152097102 /nfs/dbraw/zinc/09/71/02/152097102.db2.gz LHUKQJPEJVPLQH-QGZVFWFLSA-N 2 2 337.851 1.520 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000360574095 152103408 /nfs/dbraw/zinc/10/34/08/152103408.db2.gz WQVFSAGRZDEVCQ-INIZCTEOSA-N 2 2 344.463 1.979 20 0 EDADLP CCS(=O)(=O)NCC[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000360959403 152264228 /nfs/dbraw/zinc/26/42/28/152264228.db2.gz UWXLHWWJQSQPBM-KRWDZBQOSA-N 2 2 341.521 1.672 20 0 EDADLP CCS(=O)(=O)NCC[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000360959403 152264232 /nfs/dbraw/zinc/26/42/32/152264232.db2.gz UWXLHWWJQSQPBM-KRWDZBQOSA-N 2 2 341.521 1.672 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000360975744 152268431 /nfs/dbraw/zinc/26/84/31/152268431.db2.gz QGGSEVZSRMRFSK-UHFFFAOYSA-N 2 2 325.453 1.038 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH3+])[NH+]2CCOCC2)cc1 ZINC000417180907 304381463 /nfs/dbraw/zinc/38/14/63/304381463.db2.gz PAAMFLMCCYDPGS-QZTJIDSGSA-N 2 2 346.475 1.501 20 0 EDADLP CC(C)(C)OC(=O)CCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000363652552 153023026 /nfs/dbraw/zinc/02/30/26/153023026.db2.gz QLHXEVQHXJXODC-HNNXBMFYSA-N 2 2 339.480 1.522 20 0 EDADLP CC(C)(C)OC(=O)CCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000363652552 153023027 /nfs/dbraw/zinc/02/30/27/153023027.db2.gz QLHXEVQHXJXODC-HNNXBMFYSA-N 2 2 339.480 1.522 20 0 EDADLP CC[NH+](CC)CC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363790431 153057742 /nfs/dbraw/zinc/05/77/42/153057742.db2.gz GENOFIBSZLAACN-UHFFFAOYSA-N 2 2 345.534 1.833 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000417186213 304382280 /nfs/dbraw/zinc/38/22/80/304382280.db2.gz UXBAIRLBXNGGLP-DOTOQJQBSA-N 2 2 334.464 1.405 20 0 EDADLP CN(C(=O)CCc1ccc(O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363892930 153088530 /nfs/dbraw/zinc/08/85/30/153088530.db2.gz DOHKXIBBGNEEPW-SFHVURJKSA-N 2 2 345.487 1.952 20 0 EDADLP CN(C(=O)CCc1ccc(O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363892930 153088534 /nfs/dbraw/zinc/08/85/34/153088534.db2.gz DOHKXIBBGNEEPW-SFHVURJKSA-N 2 2 345.487 1.952 20 0 EDADLP CN(C(=O)CCc1ccc(O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363892929 153088612 /nfs/dbraw/zinc/08/86/12/153088612.db2.gz DOHKXIBBGNEEPW-GOSISDBHSA-N 2 2 345.487 1.952 20 0 EDADLP CN(C(=O)CCc1ccc(O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363892929 153088615 /nfs/dbraw/zinc/08/86/15/153088615.db2.gz DOHKXIBBGNEEPW-GOSISDBHSA-N 2 2 345.487 1.952 20 0 EDADLP c1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000364006105 153119764 /nfs/dbraw/zinc/11/97/64/153119764.db2.gz YIRNGBNVBOKNBT-RDJZCZTQSA-N 2 2 343.475 1.766 20 0 EDADLP c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000364006105 153119767 /nfs/dbraw/zinc/11/97/67/153119767.db2.gz YIRNGBNVBOKNBT-RDJZCZTQSA-N 2 2 343.475 1.766 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000364158184 153159198 /nfs/dbraw/zinc/15/91/98/153159198.db2.gz BZGLRQIZAFJFNS-HZPDHXFCSA-N 2 2 333.480 1.819 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000364293081 153197935 /nfs/dbraw/zinc/19/79/35/153197935.db2.gz OWYOXVSAYCBDNY-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000364293081 153197939 /nfs/dbraw/zinc/19/79/39/153197939.db2.gz OWYOXVSAYCBDNY-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cnn1C(C)C ZINC000364456156 153242702 /nfs/dbraw/zinc/24/27/02/153242702.db2.gz DGWXIYWSMSADSE-SJLPKXTDSA-N 2 2 349.523 1.830 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)co1 ZINC000364565437 153272969 /nfs/dbraw/zinc/27/29/69/153272969.db2.gz ZOHBYWAEHCMQEU-KRWDZBQOSA-N 2 2 329.400 1.369 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000364565437 153272970 /nfs/dbraw/zinc/27/29/70/153272970.db2.gz ZOHBYWAEHCMQEU-KRWDZBQOSA-N 2 2 329.400 1.369 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364701039 153309253 /nfs/dbraw/zinc/30/92/53/153309253.db2.gz WQNMXYRVFWRIKS-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364701039 153309256 /nfs/dbraw/zinc/30/92/56/153309256.db2.gz WQNMXYRVFWRIKS-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3CC[NH2+]CC3(F)F)cn2c1 ZINC000417195413 304383536 /nfs/dbraw/zinc/38/35/36/304383536.db2.gz RWEZMMKHCRXYLD-LBPRGKRZSA-N 2 2 337.374 1.687 20 0 EDADLP C[C@@H](c1nnnn1C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364939867 153377234 /nfs/dbraw/zinc/37/72/34/153377234.db2.gz KERVTNIWAIAJAR-HNNXBMFYSA-N 3 2 349.527 1.399 20 0 EDADLP C[C@@H](c1nnnn1C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364939867 153377235 /nfs/dbraw/zinc/37/72/35/153377235.db2.gz KERVTNIWAIAJAR-HNNXBMFYSA-N 3 2 349.527 1.399 20 0 EDADLP C[C@@H](c1nnnn1C)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364939867 153377237 /nfs/dbraw/zinc/37/72/37/153377237.db2.gz KERVTNIWAIAJAR-HNNXBMFYSA-N 2 2 349.527 1.399 20 0 EDADLP COc1ccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1OC ZINC000365022346 153399968 /nfs/dbraw/zinc/39/99/68/153399968.db2.gz TYXFFWZPJZQLHO-UHFFFAOYSA-N 2 2 347.459 1.442 20 0 EDADLP COc1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1OC ZINC000365022346 153399972 /nfs/dbraw/zinc/39/99/72/153399972.db2.gz TYXFFWZPJZQLHO-UHFFFAOYSA-N 2 2 347.459 1.442 20 0 EDADLP c1ncn([C@@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000367540592 154167568 /nfs/dbraw/zinc/16/75/68/154167568.db2.gz NYRLMFTYYYTEET-LJQANCHMSA-N 2 2 340.475 1.737 20 0 EDADLP c1ncn([C@@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000367540592 154167571 /nfs/dbraw/zinc/16/75/71/154167571.db2.gz NYRLMFTYYYTEET-LJQANCHMSA-N 2 2 340.475 1.737 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000367656468 154216151 /nfs/dbraw/zinc/21/61/51/154216151.db2.gz FTXHNTMPTAONLV-LSDHHAIUSA-N 2 2 334.445 1.713 20 0 EDADLP CCCCN(CCCO)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367654967 154216698 /nfs/dbraw/zinc/21/66/98/154216698.db2.gz AZRAVTLDIBNUKI-INIZCTEOSA-N 2 2 340.512 1.349 20 0 EDADLP CCCCN(CCCO)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367654967 154216703 /nfs/dbraw/zinc/21/67/03/154216703.db2.gz AZRAVTLDIBNUKI-INIZCTEOSA-N 2 2 340.512 1.349 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000367783653 154268751 /nfs/dbraw/zinc/26/87/51/154268751.db2.gz NDHRRANZEDXKPO-MRXNPFEDSA-N 2 2 342.480 1.123 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](CC(N)=O)C3)c2cc1C ZINC000367993513 154360348 /nfs/dbraw/zinc/36/03/48/154360348.db2.gz LZAQOCHSFAUWRW-CABCVRRESA-N 2 2 330.432 1.211 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](CC(N)=O)C3)c2cc1C ZINC000367993513 154360351 /nfs/dbraw/zinc/36/03/51/154360351.db2.gz LZAQOCHSFAUWRW-CABCVRRESA-N 2 2 330.432 1.211 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Nn3cnc4ccccc43)C2)CC1 ZINC000369371931 155000167 /nfs/dbraw/zinc/00/01/67/155000167.db2.gz ZOCLRBXBDFYBLR-CQSZACIVSA-N 2 2 342.447 1.458 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Nn3cnc4ccccc43)C2)CC1 ZINC000369371931 155000170 /nfs/dbraw/zinc/00/01/70/155000170.db2.gz ZOCLRBXBDFYBLR-CQSZACIVSA-N 2 2 342.447 1.458 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000369392470 155011979 /nfs/dbraw/zinc/01/19/79/155011979.db2.gz AKTYIVRWTKUQDD-IKGGRYGDSA-N 2 2 349.479 1.462 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000369392470 155011983 /nfs/dbraw/zinc/01/19/83/155011983.db2.gz AKTYIVRWTKUQDD-IKGGRYGDSA-N 2 2 349.479 1.462 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369428564 155028347 /nfs/dbraw/zinc/02/83/47/155028347.db2.gz VCDRMIZGHLNCBF-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369428564 155028351 /nfs/dbraw/zinc/02/83/51/155028351.db2.gz VCDRMIZGHLNCBF-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000369428564 155028354 /nfs/dbraw/zinc/02/83/54/155028354.db2.gz VCDRMIZGHLNCBF-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000369428564 155028357 /nfs/dbraw/zinc/02/83/57/155028357.db2.gz VCDRMIZGHLNCBF-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000371628156 156036654 /nfs/dbraw/zinc/03/66/54/156036654.db2.gz INDYIXBJFDSVRH-QGZVFWFLSA-N 2 2 346.475 1.479 20 0 EDADLP CN(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000371975035 156192372 /nfs/dbraw/zinc/19/23/72/156192372.db2.gz SBTVENQKTUWEQY-LJQANCHMSA-N 2 2 344.503 1.993 20 0 EDADLP CN(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000371975035 156192374 /nfs/dbraw/zinc/19/23/74/156192374.db2.gz SBTVENQKTUWEQY-LJQANCHMSA-N 2 2 344.503 1.993 20 0 EDADLP CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000372277385 156305778 /nfs/dbraw/zinc/30/57/78/156305778.db2.gz HQECDBVGTXYMPN-HNNXBMFYSA-N 2 2 333.480 1.777 20 0 EDADLP CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000372277385 156305782 /nfs/dbraw/zinc/30/57/82/156305782.db2.gz HQECDBVGTXYMPN-HNNXBMFYSA-N 2 2 333.480 1.777 20 0 EDADLP COCc1cccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000372423710 156383192 /nfs/dbraw/zinc/38/31/92/156383192.db2.gz ZRZBQGHESSHWCL-GOSISDBHSA-N 2 2 345.487 1.660 20 0 EDADLP COCc1cccc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000372423710 156383195 /nfs/dbraw/zinc/38/31/95/156383195.db2.gz ZRZBQGHESSHWCL-GOSISDBHSA-N 2 2 345.487 1.660 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3CC[NH+](CC(F)F)CC3)CC[C@H]21 ZINC000373917194 157063810 /nfs/dbraw/zinc/06/38/10/157063810.db2.gz VMXPSTUFWSWRQK-HUUCEWRRSA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C3CC[NH+](CC(F)F)CC3)CC[C@H]21 ZINC000373917194 157063813 /nfs/dbraw/zinc/06/38/13/157063813.db2.gz VMXPSTUFWSWRQK-HUUCEWRRSA-N 2 2 329.435 1.906 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373931850 157071324 /nfs/dbraw/zinc/07/13/24/157071324.db2.gz DQYCZJSBZXKAKB-DLBZAZTESA-N 2 2 343.475 1.976 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373931850 157071331 /nfs/dbraw/zinc/07/13/31/157071331.db2.gz DQYCZJSBZXKAKB-DLBZAZTESA-N 2 2 343.475 1.976 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374322199 157244196 /nfs/dbraw/zinc/24/41/96/157244196.db2.gz CDHNWSFKCKWRDX-CZUORRHYSA-N 2 2 339.915 1.840 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374330669 157248578 /nfs/dbraw/zinc/24/85/78/157248578.db2.gz XAITYTLSWLNTLY-UONOGXRCSA-N 2 2 347.463 1.633 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374330669 157248581 /nfs/dbraw/zinc/24/85/81/157248581.db2.gz XAITYTLSWLNTLY-UONOGXRCSA-N 2 2 347.463 1.633 20 0 EDADLP CN(C(=O)[C@H]([NH3+])C1CCOCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000374595462 157340719 /nfs/dbraw/zinc/34/07/19/157340719.db2.gz TVWAIWBZLIKBPR-QGZVFWFLSA-N 2 2 332.448 1.263 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)c1ccnc(OCC[NH+](C)C)c1)C2 ZINC000374752035 157388344 /nfs/dbraw/zinc/38/83/44/157388344.db2.gz IROYJSPUEWOIPD-UHFFFAOYSA-N 2 2 343.431 1.491 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000378071279 158071237 /nfs/dbraw/zinc/07/12/37/158071237.db2.gz OIEZOSZFSMPZDR-UHFFFAOYSA-N 2 2 333.461 1.945 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cnn(C)c1 ZINC000378370447 158155116 /nfs/dbraw/zinc/15/51/16/158155116.db2.gz NZEJSLBCEWDKNN-GJZGRUSLSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cnn(C)c1 ZINC000378370447 158155120 /nfs/dbraw/zinc/15/51/20/158155120.db2.gz NZEJSLBCEWDKNN-GJZGRUSLSA-N 2 2 348.495 1.291 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000073483974 287260719 /nfs/dbraw/zinc/26/07/19/287260719.db2.gz LAEHSIJMPBXWBO-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000073483974 287260720 /nfs/dbraw/zinc/26/07/20/287260720.db2.gz LAEHSIJMPBXWBO-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NC[C@@H](C)C[NH3+])[NH+]2CCOCC2)c1 ZINC000416995571 292580882 /nfs/dbraw/zinc/58/08/82/292580882.db2.gz LKZWQXYXIYYZPK-RDJZCZTQSA-N 2 2 334.464 1.262 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1)[NH+](C)C ZINC000122302583 222056955 /nfs/dbraw/zinc/05/69/55/222056955.db2.gz VIVFFPDJSNUYIU-GOSISDBHSA-N 2 2 349.475 1.688 20 0 EDADLP CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000123177855 222230273 /nfs/dbraw/zinc/23/02/73/222230273.db2.gz VOWRKOJXEGECKT-QZTJIDSGSA-N 2 2 325.497 1.330 20 0 EDADLP CO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000123177855 222230277 /nfs/dbraw/zinc/23/02/77/222230277.db2.gz VOWRKOJXEGECKT-QZTJIDSGSA-N 2 2 325.497 1.330 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123312422 222254097 /nfs/dbraw/zinc/25/40/97/222254097.db2.gz WVSXHUJQBYIJSB-PBHICJAKSA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123312422 222254100 /nfs/dbraw/zinc/25/41/00/222254100.db2.gz WVSXHUJQBYIJSB-PBHICJAKSA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123312422 222254105 /nfs/dbraw/zinc/25/41/05/222254105.db2.gz WVSXHUJQBYIJSB-PBHICJAKSA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123312422 222254107 /nfs/dbraw/zinc/25/41/07/222254107.db2.gz WVSXHUJQBYIJSB-PBHICJAKSA-N 2 2 346.475 1.789 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000123593737 222302021 /nfs/dbraw/zinc/30/20/21/222302021.db2.gz GGXWPLIMQXWFES-ZFWWWQNUSA-N 2 2 333.432 1.446 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000123593737 222302023 /nfs/dbraw/zinc/30/20/23/222302023.db2.gz GGXWPLIMQXWFES-ZFWWWQNUSA-N 2 2 333.432 1.446 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123593737 222302025 /nfs/dbraw/zinc/30/20/25/222302025.db2.gz GGXWPLIMQXWFES-ZFWWWQNUSA-N 2 2 333.432 1.446 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123593737 222302028 /nfs/dbraw/zinc/30/20/28/222302028.db2.gz GGXWPLIMQXWFES-ZFWWWQNUSA-N 2 2 333.432 1.446 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418431654 304494963 /nfs/dbraw/zinc/49/49/63/304494963.db2.gz SQWNAEJGGPWNHN-JYJNAYRXSA-N 2 2 333.480 1.902 20 0 EDADLP C[C@H](COc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000152456692 287611875 /nfs/dbraw/zinc/61/18/75/287611875.db2.gz BKOJUIYEKZSVQX-MRXNPFEDSA-N 2 2 333.476 1.844 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247226728 273015913 /nfs/dbraw/zinc/01/59/13/273015913.db2.gz YALVGWCMRSGCNM-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247226728 273015915 /nfs/dbraw/zinc/01/59/15/273015915.db2.gz YALVGWCMRSGCNM-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247226728 273015917 /nfs/dbraw/zinc/01/59/17/273015917.db2.gz YALVGWCMRSGCNM-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247226728 273015918 /nfs/dbraw/zinc/01/59/18/273015918.db2.gz YALVGWCMRSGCNM-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP C[C@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000265800269 273018980 /nfs/dbraw/zinc/01/89/80/273018980.db2.gz KEZCLYJTJCVRTB-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000273491066 268051685 /nfs/dbraw/zinc/05/16/85/268051685.db2.gz AJELFKVKNIUVKY-GOSISDBHSA-N 2 2 344.459 1.409 20 0 EDADLP CN1CCN(c2cc(N[C@H]3CCC[C@H]([NH+](C)C)C3)[nH+]cn2)CC1=O ZINC000274889884 268230763 /nfs/dbraw/zinc/23/07/63/268230763.db2.gz JFDZXLOKXCXVPU-KBPBESRZSA-N 2 2 332.452 1.040 20 0 EDADLP CN1CCN(c2cc(N[C@H]3CCC[C@H]([NH+](C)C)C3)nc[nH+]2)CC1=O ZINC000274889884 268230766 /nfs/dbraw/zinc/23/07/66/268230766.db2.gz JFDZXLOKXCXVPU-KBPBESRZSA-N 2 2 332.452 1.040 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1)CCCC2 ZINC000275224828 268304230 /nfs/dbraw/zinc/30/42/30/268304230.db2.gz COTWKBDNEZBLBX-LBPRGKRZSA-N 2 2 344.381 1.996 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1)CCCC2 ZINC000275224828 268304232 /nfs/dbraw/zinc/30/42/32/268304232.db2.gz COTWKBDNEZBLBX-LBPRGKRZSA-N 2 2 344.381 1.996 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275308831 268319654 /nfs/dbraw/zinc/31/96/54/268319654.db2.gz NPACELBYKAYZBK-YPMHNXCESA-N 2 2 333.436 1.161 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275308831 268319656 /nfs/dbraw/zinc/31/96/56/268319656.db2.gz NPACELBYKAYZBK-YPMHNXCESA-N 2 2 333.436 1.161 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]cn1 ZINC000273151786 273029950 /nfs/dbraw/zinc/02/99/50/273029950.db2.gz HYLSZSOFXDBXDG-OAHLLOKOSA-N 2 2 342.447 1.935 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc[nH+]1 ZINC000273151786 273029952 /nfs/dbraw/zinc/02/99/52/273029952.db2.gz HYLSZSOFXDBXDG-OAHLLOKOSA-N 2 2 342.447 1.935 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000273163500 273030824 /nfs/dbraw/zinc/03/08/24/273030824.db2.gz AIKILILLSQPYHD-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000273163500 273030825 /nfs/dbraw/zinc/03/08/25/273030825.db2.gz AIKILILLSQPYHD-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000279267051 268808320 /nfs/dbraw/zinc/80/83/20/268808320.db2.gz VQZAVNJLDHHMTO-INIZCTEOSA-N 2 2 341.459 1.669 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000277611672 273211281 /nfs/dbraw/zinc/21/12/81/273211281.db2.gz VTLQVQYNUXEMGG-UHFFFAOYSA-N 2 2 340.431 1.807 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000277611672 273211283 /nfs/dbraw/zinc/21/12/83/273211283.db2.gz VTLQVQYNUXEMGG-UHFFFAOYSA-N 2 2 340.431 1.807 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnnn1CC1CCOCC1 ZINC000277758003 273224068 /nfs/dbraw/zinc/22/40/68/273224068.db2.gz QBCNJZNFKOMXRU-UHFFFAOYSA-N 2 2 333.440 1.127 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnnn1CC1CCOCC1 ZINC000277758003 273224070 /nfs/dbraw/zinc/22/40/70/273224070.db2.gz QBCNJZNFKOMXRU-UHFFFAOYSA-N 2 2 333.440 1.127 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000279442980 273298233 /nfs/dbraw/zinc/29/82/33/273298233.db2.gz NJJFTHXERRVLEC-KRWDZBQOSA-N 2 2 328.416 1.138 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C[NH+]1CCCCC1 ZINC000279997060 273338600 /nfs/dbraw/zinc/33/86/00/273338600.db2.gz ROFCPHGRNRAHIO-INIZCTEOSA-N 2 2 349.866 1.857 20 0 EDADLP CC[NH+]1CCC(n2nccc2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC000280206731 273352131 /nfs/dbraw/zinc/35/21/31/273352131.db2.gz IJSTXQYHXBNLRV-UHFFFAOYSA-N 2 2 330.436 1.845 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280785255 273398105 /nfs/dbraw/zinc/39/81/05/273398105.db2.gz IUILAAQQELUMLG-GGPKGHCWSA-N 2 2 343.471 1.566 20 0 EDADLP COc1ccnc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000348110777 274163747 /nfs/dbraw/zinc/16/37/47/274163747.db2.gz CKSGSSCLLBNHAO-ZBFHGGJFSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccnc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000348110777 274163750 /nfs/dbraw/zinc/16/37/50/274163750.db2.gz CKSGSSCLLBNHAO-ZBFHGGJFSA-N 2 2 347.438 1.868 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4[nH+]ccn4c3)C2)CC1 ZINC000171930311 276197967 /nfs/dbraw/zinc/19/79/67/276197967.db2.gz WWIBXSIQQOZPAI-MRXNPFEDSA-N 2 2 327.432 1.186 20 0 EDADLP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422884017 276586994 /nfs/dbraw/zinc/58/69/94/276586994.db2.gz RHJXVZGNYXSUEM-ZWKOTPCHSA-N 3 2 331.508 1.844 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc2[nH+]ccn2c1 ZINC000366443465 276785750 /nfs/dbraw/zinc/78/57/50/276785750.db2.gz UVSIYYQYADNQAU-PMPSAXMXSA-N 2 2 328.416 1.658 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000369274717 277028758 /nfs/dbraw/zinc/02/87/58/277028758.db2.gz RLQYZXFBNMKLRM-FZMZJTMJSA-N 2 2 334.291 1.855 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000369274717 277028759 /nfs/dbraw/zinc/02/87/59/277028759.db2.gz RLQYZXFBNMKLRM-FZMZJTMJSA-N 2 2 334.291 1.855 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000361138044 277055012 /nfs/dbraw/zinc/05/50/12/277055012.db2.gz BIQNTLRSTXACGZ-CQSZACIVSA-N 2 2 325.453 1.051 20 0 EDADLP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000496823113 277181070 /nfs/dbraw/zinc/18/10/70/277181070.db2.gz XSEACNIIMLGFFL-INIZCTEOSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000496823113 277181072 /nfs/dbraw/zinc/18/10/72/277181072.db2.gz XSEACNIIMLGFFL-INIZCTEOSA-N 2 2 341.496 1.822 20 0 EDADLP COc1ccccc1N1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422850143 278054552 /nfs/dbraw/zinc/05/45/52/278054552.db2.gz MYGWTUIYYQDOBF-CDHQVMDDSA-N 2 2 345.487 1.878 20 0 EDADLP CC1(C)C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)[C@H]1[C@@H]1CCCO1 ZINC000495849451 278334195 /nfs/dbraw/zinc/33/41/95/278334195.db2.gz KBCDQPHQHSZOGQ-BXWFABGCSA-N 2 2 349.475 1.750 20 0 EDADLP CC1(C)C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)[C@H]1[C@@H]1CCCO1 ZINC000495849451 278334197 /nfs/dbraw/zinc/33/41/97/278334197.db2.gz KBCDQPHQHSZOGQ-BXWFABGCSA-N 2 2 349.475 1.750 20 0 EDADLP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000286759336 288079781 /nfs/dbraw/zinc/07/97/81/288079781.db2.gz ZGHWBGDPMNNADN-MSOLQXFVSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000286759336 288079783 /nfs/dbraw/zinc/07/97/83/288079783.db2.gz ZGHWBGDPMNNADN-MSOLQXFVSA-N 2 2 328.460 1.701 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000341459443 288088702 /nfs/dbraw/zinc/08/87/02/288088702.db2.gz JTGOOMDEXQAKSA-BPQIPLTHSA-N 2 2 331.460 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000341459443 288088705 /nfs/dbraw/zinc/08/87/05/288088705.db2.gz JTGOOMDEXQAKSA-BPQIPLTHSA-N 2 2 331.460 1.374 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000356911424 288092132 /nfs/dbraw/zinc/09/21/32/288092132.db2.gz FNMUPHPCXFDTJH-WQVCFCJDSA-N 2 2 329.423 1.939 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000356911424 288092133 /nfs/dbraw/zinc/09/21/33/288092133.db2.gz FNMUPHPCXFDTJH-WQVCFCJDSA-N 2 2 329.423 1.939 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000178727945 279154121 /nfs/dbraw/zinc/15/41/21/279154121.db2.gz YFEDJYFIDNTKJB-MSOLQXFVSA-N 2 2 330.476 1.186 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416998231 279397105 /nfs/dbraw/zinc/39/71/05/279397105.db2.gz YJBQIAZFZGPQSA-BFHYXJOUSA-N 2 2 335.452 1.232 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000286982651 288130237 /nfs/dbraw/zinc/13/02/37/288130237.db2.gz BBYNFLBWVYNGHG-RBSFLKMASA-N 2 2 347.463 1.452 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](C(C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351586354 280150147 /nfs/dbraw/zinc/15/01/47/280150147.db2.gz WMAKQGANXVEXBK-IXDOHACOSA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](C(C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351586354 280150151 /nfs/dbraw/zinc/15/01/51/280150151.db2.gz WMAKQGANXVEXBK-IXDOHACOSA-N 2 2 325.497 1.673 20 0 EDADLP O=S(=O)(CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422711911 280335993 /nfs/dbraw/zinc/33/59/93/280335993.db2.gz HSHMGPXMKVHGGN-IAGOWNOFSA-N 2 2 338.473 1.207 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000287690117 288296627 /nfs/dbraw/zinc/29/66/27/288296627.db2.gz YXOXPLHTJUHATG-UHFFFAOYSA-N 2 2 347.463 1.716 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ccc(C)nc3)CC2)CC1 ZINC000422006280 447305346 /nfs/dbraw/zinc/30/53/46/447305346.db2.gz LNEMIAXYOQIHSL-UHFFFAOYSA-N 2 2 344.503 1.951 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ccc(C)nc3)CC2)CC1 ZINC000422006280 447305350 /nfs/dbraw/zinc/30/53/50/447305350.db2.gz LNEMIAXYOQIHSL-UHFFFAOYSA-N 2 2 344.503 1.951 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370159122 288717137 /nfs/dbraw/zinc/71/71/37/288717137.db2.gz FKXPHOPBEXZTLW-JKSUJKDBSA-N 3 2 345.491 1.373 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291307882 289035045 /nfs/dbraw/zinc/03/50/45/289035045.db2.gz SRXCDBDNFVDFRM-KSSFIOAISA-N 2 2 346.475 1.712 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291307882 289035046 /nfs/dbraw/zinc/03/50/46/289035046.db2.gz SRXCDBDNFVDFRM-KSSFIOAISA-N 2 2 346.475 1.712 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)C[N@H+](Cc2ccccc2)C1 ZINC000291502017 289086544 /nfs/dbraw/zinc/08/65/44/289086544.db2.gz HMUGROZOZQCZFF-AEFFLSMTSA-N 2 2 343.475 1.661 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)C[N@@H+](Cc2ccccc2)C1 ZINC000291502017 289086546 /nfs/dbraw/zinc/08/65/46/289086546.db2.gz HMUGROZOZQCZFF-AEFFLSMTSA-N 2 2 343.475 1.661 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000265188828 289355957 /nfs/dbraw/zinc/35/59/57/289355957.db2.gz DVCITNKNIIEZOW-CQSZACIVSA-N 2 2 326.391 1.525 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC000367979816 290046365 /nfs/dbraw/zinc/04/63/65/290046365.db2.gz ZDSISXZVFVUWEN-QGZVFWFLSA-N 2 2 334.508 1.101 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000418841740 304539691 /nfs/dbraw/zinc/53/96/91/304539691.db2.gz HQDUTRBVOQJCIU-UHFFFAOYSA-N 2 2 343.431 1.122 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000376819854 297717581 /nfs/dbraw/zinc/71/75/81/297717581.db2.gz QEHXCMVKIQUODU-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000419198569 304577090 /nfs/dbraw/zinc/57/70/90/304577090.db2.gz COTFNGQDUCQAGM-XJKSGUPXSA-N 2 2 343.431 1.149 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000372838214 447309209 /nfs/dbraw/zinc/30/92/09/447309209.db2.gz ONLNJEQWPCRMOC-HZPDHXFCSA-N 2 2 347.463 1.070 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000372838214 447309215 /nfs/dbraw/zinc/30/92/15/447309215.db2.gz ONLNJEQWPCRMOC-HZPDHXFCSA-N 2 2 347.463 1.070 20 0 EDADLP C[C@H]1COCC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329002579 300353002 /nfs/dbraw/zinc/35/30/02/300353002.db2.gz HFLLVTTULONURL-CTNYNGJSSA-N 2 2 332.448 1.629 20 0 EDADLP [NH3+]C1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000420272019 304741440 /nfs/dbraw/zinc/74/14/40/304741440.db2.gz LKVIJSCDBAVUDZ-AWEZNQCLSA-N 2 2 338.249 1.978 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCCN1CCc2ccccc21 ZINC000420372626 304752566 /nfs/dbraw/zinc/75/25/66/304752566.db2.gz QGQCWODMCBHBMO-VCBZYWHSSA-N 2 2 330.476 1.141 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@H](C)CC[NH3+])cc1 ZINC000416881998 301791092 /nfs/dbraw/zinc/79/10/92/301791092.db2.gz HOYIAUVBPACFNR-WBVHZDCISA-N 2 2 334.464 1.405 20 0 EDADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358264799 302128442 /nfs/dbraw/zinc/12/84/42/302128442.db2.gz ZDCTXNTXEKAMSV-RTBURBONSA-N 2 2 333.476 1.025 20 0 EDADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358264799 302128443 /nfs/dbraw/zinc/12/84/43/302128443.db2.gz ZDCTXNTXEKAMSV-RTBURBONSA-N 2 2 333.476 1.025 20 0 EDADLP COc1nccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)n1 ZINC000294704422 303137267 /nfs/dbraw/zinc/13/72/67/303137267.db2.gz GVFXDTBCERWUAB-UHFFFAOYSA-N 2 2 328.416 1.607 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000295042284 303166215 /nfs/dbraw/zinc/16/62/15/303166215.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000295042284 303166217 /nfs/dbraw/zinc/16/62/17/303166217.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]([N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)O ZINC000295140663 303178553 /nfs/dbraw/zinc/17/85/53/303178553.db2.gz KWKQIAWEGHGMHY-CQSZACIVSA-N 2 2 339.505 1.484 20 0 EDADLP C[C@@H]([N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)O ZINC000295140663 303178556 /nfs/dbraw/zinc/17/85/56/303178556.db2.gz KWKQIAWEGHGMHY-CQSZACIVSA-N 2 2 339.505 1.484 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000295253806 303194987 /nfs/dbraw/zinc/19/49/87/303194987.db2.gz ULNXDLSOTVUCMG-MRXNPFEDSA-N 2 2 349.475 1.402 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000295266386 303196769 /nfs/dbraw/zinc/19/67/69/303196769.db2.gz VHMUXKGXZREVGE-HUUCEWRRSA-N 2 2 339.505 1.934 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC000295996370 303288140 /nfs/dbraw/zinc/28/81/40/303288140.db2.gz PJOUNVJHHHBVBG-HUUCEWRRSA-N 2 2 332.448 1.517 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC000295996370 303288142 /nfs/dbraw/zinc/28/81/42/303288142.db2.gz PJOUNVJHHHBVBG-HUUCEWRRSA-N 2 2 332.448 1.517 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@@H]1C ZINC000297066962 303358709 /nfs/dbraw/zinc/35/87/09/303358709.db2.gz UDIASBGMAMZGMA-AWEZNQCLSA-N 2 2 331.420 1.827 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@@H]1C ZINC000297066962 303358711 /nfs/dbraw/zinc/35/87/11/303358711.db2.gz UDIASBGMAMZGMA-AWEZNQCLSA-N 2 2 331.420 1.827 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456208444 447328241 /nfs/dbraw/zinc/32/82/41/447328241.db2.gz IKWDUOLAJWQUSR-OKILXGFUSA-N 2 2 330.432 1.258 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456208444 447328245 /nfs/dbraw/zinc/32/82/45/447328245.db2.gz IKWDUOLAJWQUSR-OKILXGFUSA-N 2 2 330.432 1.258 20 0 EDADLP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414863532 447333590 /nfs/dbraw/zinc/33/35/90/447333590.db2.gz AUFKIHQBTWBDPG-UKRRQHHQSA-N 2 2 335.448 1.392 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nn(C)c(C)c2Cl)CC1 ZINC000421379425 304800004 /nfs/dbraw/zinc/80/00/04/304800004.db2.gz IUQVZKFXOYJDLC-UHFFFAOYSA-N 2 2 327.904 1.888 20 0 EDADLP Cc1ccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1S(C)(=O)=O ZINC000423079978 304884554 /nfs/dbraw/zinc/88/45/54/304884554.db2.gz ZAOUJOFHNUNCOE-DZGCQCFKSA-N 2 2 326.462 1.255 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423924161 304917451 /nfs/dbraw/zinc/91/74/51/304917451.db2.gz YPQLHPGCLDFXSO-ILXRZTDVSA-N 2 2 339.459 1.179 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000423933779 304919067 /nfs/dbraw/zinc/91/90/67/304919067.db2.gz XESJZPNBHKQAGT-GJZGRUSLSA-N 2 2 332.448 1.517 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428038302 305004909 /nfs/dbraw/zinc/00/49/09/305004909.db2.gz XKTNGWMMSRRMPQ-SJLPKXTDSA-N 2 2 347.459 1.012 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428038302 305004910 /nfs/dbraw/zinc/00/49/10/305004910.db2.gz XKTNGWMMSRRMPQ-SJLPKXTDSA-N 2 2 347.459 1.012 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000428069287 305006644 /nfs/dbraw/zinc/00/66/44/305006644.db2.gz JJWFCNIAOGLTRE-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000428069287 305006645 /nfs/dbraw/zinc/00/66/45/305006645.db2.gz JJWFCNIAOGLTRE-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000428069287 305006646 /nfs/dbraw/zinc/00/66/46/305006646.db2.gz JJWFCNIAOGLTRE-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000428069287 305006647 /nfs/dbraw/zinc/00/66/47/305006647.db2.gz JJWFCNIAOGLTRE-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000428076249 305006825 /nfs/dbraw/zinc/00/68/25/305006825.db2.gz IVJHNGIGIADKEN-QZTJIDSGSA-N 2 2 331.460 1.488 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000428076249 305006826 /nfs/dbraw/zinc/00/68/26/305006826.db2.gz IVJHNGIGIADKEN-QZTJIDSGSA-N 2 2 331.460 1.488 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CCO1 ZINC000428076249 305006827 /nfs/dbraw/zinc/00/68/27/305006827.db2.gz IVJHNGIGIADKEN-QZTJIDSGSA-N 2 2 331.460 1.488 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CCO1 ZINC000428076249 305006828 /nfs/dbraw/zinc/00/68/28/305006828.db2.gz IVJHNGIGIADKEN-QZTJIDSGSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCn1cc[nH+]c1 ZINC000428245459 305008793 /nfs/dbraw/zinc/00/87/93/305008793.db2.gz ZGELRYDEFFDQDP-LBPRGKRZSA-N 2 2 339.237 1.876 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430572116 305056487 /nfs/dbraw/zinc/05/64/87/305056487.db2.gz PHMBWZLRHMLEJR-BBRMVZONSA-N 2 2 334.464 1.678 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430572116 305056488 /nfs/dbraw/zinc/05/64/88/305056488.db2.gz PHMBWZLRHMLEJR-BBRMVZONSA-N 2 2 334.464 1.678 20 0 EDADLP COc1ccc(CCNC(=O)[C@@H](C)[NH+]2CCC([NH3+])CC2)cc1OC ZINC000430648762 305061143 /nfs/dbraw/zinc/06/11/43/305061143.db2.gz ZWUYVNMVBKOLSL-CYBMUJFWSA-N 2 2 335.448 1.174 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000430647787 305061201 /nfs/dbraw/zinc/06/12/01/305061201.db2.gz QNBSTNZGBRUMSR-UHFFFAOYSA-N 2 2 335.448 1.012 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000430647787 305061202 /nfs/dbraw/zinc/06/12/02/305061202.db2.gz QNBSTNZGBRUMSR-UHFFFAOYSA-N 2 2 335.448 1.012 20 0 EDADLP Cc1c(C(=O)NCc2cn3ccccc3[nH+]2)nnn1C1CC[NH2+]CC1 ZINC000430673878 305062132 /nfs/dbraw/zinc/06/21/32/305062132.db2.gz GYTUYUWDQZNZDM-UHFFFAOYSA-N 2 2 339.403 1.089 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000430852560 305066095 /nfs/dbraw/zinc/06/60/95/305066095.db2.gz DYIXOOVMXGJYMQ-HOCLYGCPSA-N 2 2 332.379 1.143 20 0 EDADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000430914790 305067864 /nfs/dbraw/zinc/06/78/64/305067864.db2.gz AEBPMFVTOAUEIC-CQSZACIVSA-N 2 2 349.475 1.735 20 0 EDADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000430918505 305068012 /nfs/dbraw/zinc/06/80/12/305068012.db2.gz NJNSHWJIRQKVCJ-CYBMUJFWSA-N 2 2 335.448 1.392 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000430922450 305068399 /nfs/dbraw/zinc/06/83/99/305068399.db2.gz ALIFSSMFKIQKDD-HNNXBMFYSA-N 2 2 346.475 1.648 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000430922450 305068400 /nfs/dbraw/zinc/06/84/00/305068400.db2.gz ALIFSSMFKIQKDD-HNNXBMFYSA-N 2 2 346.475 1.648 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH3+] ZINC000430933707 305069038 /nfs/dbraw/zinc/06/90/38/305069038.db2.gz JITOCWRZDGFKFB-RHSMWYFYSA-N 2 2 334.439 1.143 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH3+] ZINC000430933707 305069039 /nfs/dbraw/zinc/06/90/39/305069039.db2.gz JITOCWRZDGFKFB-RHSMWYFYSA-N 2 2 334.439 1.143 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)C1 ZINC000430950152 305070245 /nfs/dbraw/zinc/07/02/45/305070245.db2.gz GILPJEYVGHIYIA-ZFWWWQNUSA-N 2 2 337.439 1.723 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)C1 ZINC000430950152 305070246 /nfs/dbraw/zinc/07/02/46/305070246.db2.gz GILPJEYVGHIYIA-ZFWWWQNUSA-N 2 2 337.439 1.723 20 0 EDADLP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000433148556 305101694 /nfs/dbraw/zinc/10/16/94/305101694.db2.gz RIBSDBQBXJZIIX-UHFFFAOYSA-N 3 2 345.491 1.501 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433385042 305107123 /nfs/dbraw/zinc/10/71/23/305107123.db2.gz LROWEUOIHVHRMZ-GFCCVEGCSA-N 3 2 338.375 1.036 20 0 EDADLP CCN1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433474593 305110446 /nfs/dbraw/zinc/11/04/46/305110446.db2.gz KGLAOSYBTBYICS-SJORKVTESA-N 2 2 341.459 1.918 20 0 EDADLP COCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433867711 305114124 /nfs/dbraw/zinc/11/41/24/305114124.db2.gz JPSIAUCZZLWTIN-UHFFFAOYSA-N 2 2 349.456 1.985 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000434095944 305117902 /nfs/dbraw/zinc/11/79/02/305117902.db2.gz NONRKIPJIRBDIX-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000434387556 305121431 /nfs/dbraw/zinc/12/14/31/305121431.db2.gz UZZXYXVAEPLSQT-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000434405447 305121946 /nfs/dbraw/zinc/12/19/46/305121946.db2.gz SETNRXOXKDPPLQ-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000434461358 305123215 /nfs/dbraw/zinc/12/32/15/305123215.db2.gz WYHARKAELREFJO-FUHWJXTLSA-N 2 2 346.475 1.083 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000434461358 305123216 /nfs/dbraw/zinc/12/32/16/305123216.db2.gz WYHARKAELREFJO-FUHWJXTLSA-N 2 2 346.475 1.083 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC000434493227 305123294 /nfs/dbraw/zinc/12/32/94/305123294.db2.gz SNAXCNCCTUIXEK-OAHLLOKOSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC000434493227 305123295 /nfs/dbraw/zinc/12/32/95/305123295.db2.gz SNAXCNCCTUIXEK-OAHLLOKOSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000434493227 305123296 /nfs/dbraw/zinc/12/32/96/305123296.db2.gz SNAXCNCCTUIXEK-OAHLLOKOSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000434493227 305123297 /nfs/dbraw/zinc/12/32/97/305123297.db2.gz SNAXCNCCTUIXEK-OAHLLOKOSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1cc(CC(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)[nH]n1 ZINC000435571837 305142745 /nfs/dbraw/zinc/14/27/45/305142745.db2.gz ZKDJNDNUSNMUJN-HNNXBMFYSA-N 2 2 342.447 1.165 20 0 EDADLP C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435617159 305143519 /nfs/dbraw/zinc/14/35/19/305143519.db2.gz MVJBNTNFUPWYET-AWEZNQCLSA-N 2 2 341.477 1.638 20 0 EDADLP C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435617159 305143520 /nfs/dbraw/zinc/14/35/20/305143520.db2.gz MVJBNTNFUPWYET-AWEZNQCLSA-N 2 2 341.477 1.638 20 0 EDADLP O=C1CCC(=O)N1CC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687276 305145387 /nfs/dbraw/zinc/14/53/87/305145387.db2.gz DFQCWZVABGVIHF-CYBMUJFWSA-N 2 2 348.472 1.236 20 0 EDADLP O=C1CCC(=O)N1CC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687276 305145388 /nfs/dbraw/zinc/14/53/88/305145388.db2.gz DFQCWZVABGVIHF-CYBMUJFWSA-N 2 2 348.472 1.236 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000436459108 305157595 /nfs/dbraw/zinc/15/75/95/305157595.db2.gz QUVVWOUJHWZVJN-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000436459108 305157596 /nfs/dbraw/zinc/15/75/96/305157596.db2.gz QUVVWOUJHWZVJN-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000436459108 305157597 /nfs/dbraw/zinc/15/75/97/305157597.db2.gz QUVVWOUJHWZVJN-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000436459108 305157598 /nfs/dbraw/zinc/15/75/98/305157598.db2.gz QUVVWOUJHWZVJN-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC(N)=O)c(C)c1 ZINC000441386986 305222045 /nfs/dbraw/zinc/22/20/45/305222045.db2.gz XNQMOVNBAGTUCA-UKRRQHHQSA-N 2 2 329.404 1.414 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443039800 305233562 /nfs/dbraw/zinc/23/35/62/305233562.db2.gz SENYOXNPQPGWMV-GJZGRUSLSA-N 2 2 348.472 1.645 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443039800 305233563 /nfs/dbraw/zinc/23/35/63/305233563.db2.gz SENYOXNPQPGWMV-GJZGRUSLSA-N 2 2 348.472 1.645 20 0 EDADLP CN(C)c1nc(N2CCN(c3cc[nH+]c4ccncc43)CC2)cc[nH+]1 ZINC000444074131 305243367 /nfs/dbraw/zinc/24/33/67/305243367.db2.gz MNCGCOPEEXLWLV-UHFFFAOYSA-N 2 2 335.415 1.812 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000447380653 305279110 /nfs/dbraw/zinc/27/91/10/305279110.db2.gz FQQQFWDSSLLQRZ-HNNXBMFYSA-N 2 2 338.452 1.074 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000447380653 305279111 /nfs/dbraw/zinc/27/91/11/305279111.db2.gz FQQQFWDSSLLQRZ-HNNXBMFYSA-N 2 2 338.452 1.074 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000447656608 305283649 /nfs/dbraw/zinc/28/36/49/305283649.db2.gz ABPHWDGEVOVEAC-IAGOWNOFSA-N 2 2 345.487 1.612 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000447656608 305283650 /nfs/dbraw/zinc/28/36/50/305283650.db2.gz ABPHWDGEVOVEAC-IAGOWNOFSA-N 2 2 345.487 1.612 20 0 EDADLP [NH3+]C1CCC(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000449104330 305306765 /nfs/dbraw/zinc/30/67/65/305306765.db2.gz VFPDKVMDTVJHIG-UHFFFAOYSA-N 2 2 328.416 1.775 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C3(CCO)CC[NH+](C)CC3)cn2)cc1 ZINC000449242581 305309333 /nfs/dbraw/zinc/30/93/33/305309333.db2.gz GHMVEWXTVZCJKE-UHFFFAOYSA-N 2 2 344.459 1.817 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449726220 305318058 /nfs/dbraw/zinc/31/80/58/305318058.db2.gz KGAMUTMPLBOLRN-LBPRGKRZSA-N 2 2 328.338 1.995 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000451958618 305374168 /nfs/dbraw/zinc/37/41/68/305374168.db2.gz HSOXPJKTIOQPCT-WBVHZDCISA-N 2 2 325.522 1.758 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000451958618 305374169 /nfs/dbraw/zinc/37/41/69/305374169.db2.gz HSOXPJKTIOQPCT-WBVHZDCISA-N 2 2 325.522 1.758 20 0 EDADLP CCN(CCOC)c1cccc(CN2CC[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000452137151 305384963 /nfs/dbraw/zinc/38/49/63/305384963.db2.gz ZJWARAZLRCSNEM-MRXNPFEDSA-N 2 2 336.480 1.053 20 0 EDADLP CCN(CCOC)c1cccc(CN2CC[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000452137151 305384964 /nfs/dbraw/zinc/38/49/64/305384964.db2.gz ZJWARAZLRCSNEM-MRXNPFEDSA-N 2 2 336.480 1.053 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452348369 305390997 /nfs/dbraw/zinc/39/09/97/305390997.db2.gz AATUSIMATINEHK-MRXNPFEDSA-N 2 2 344.459 1.698 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452348369 305390998 /nfs/dbraw/zinc/39/09/98/305390998.db2.gz AATUSIMATINEHK-MRXNPFEDSA-N 2 2 344.459 1.698 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000455856977 305447351 /nfs/dbraw/zinc/44/73/51/305447351.db2.gz XJBSKDAUINCISB-OLZOCXBDSA-N 2 2 338.477 1.208 20 0 EDADLP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000457392464 305487857 /nfs/dbraw/zinc/48/78/57/305487857.db2.gz QTWDKQPPRXTQHB-UHFFFAOYSA-N 2 2 342.487 1.990 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)C[C@@H](C)O1 ZINC000515638218 305725772 /nfs/dbraw/zinc/72/57/72/305725772.db2.gz XALAIANJZBMOCI-CAVBGTJFSA-N 2 2 330.472 1.632 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000456316134 447359298 /nfs/dbraw/zinc/35/92/98/447359298.db2.gz FORBBYDURROHNR-FBVQUNGASA-N 2 2 337.508 1.865 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000456316134 447359302 /nfs/dbraw/zinc/35/93/02/447359302.db2.gz FORBBYDURROHNR-FBVQUNGASA-N 2 2 337.508 1.865 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1 ZINC000534109892 306003734 /nfs/dbraw/zinc/00/37/34/306003734.db2.gz GAOTZCHOYWPRLU-UHFFFAOYSA-N 2 2 340.431 1.688 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@H+]3CC[C@H](C)C3)ccc2[nH+]1 ZINC000539168234 306034670 /nfs/dbraw/zinc/03/46/70/306034670.db2.gz RCLUWFAPFLOFJX-LBPRGKRZSA-N 2 2 329.404 1.039 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@@H+]3CC[C@H](C)C3)ccc2[nH+]1 ZINC000539168234 306034671 /nfs/dbraw/zinc/03/46/71/306034671.db2.gz RCLUWFAPFLOFJX-LBPRGKRZSA-N 2 2 329.404 1.039 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1=O ZINC000542119870 306051493 /nfs/dbraw/zinc/05/14/93/306051493.db2.gz NFLXFFLBINVXTG-LBPRGKRZSA-N 2 2 325.376 1.295 20 0 EDADLP CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543393329 306063462 /nfs/dbraw/zinc/06/34/62/306063462.db2.gz AJADTVRJLRMHJQ-CYBMUJFWSA-N 2 2 326.447 1.057 20 0 EDADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543393329 306063463 /nfs/dbraw/zinc/06/34/63/306063463.db2.gz AJADTVRJLRMHJQ-CYBMUJFWSA-N 2 2 326.447 1.057 20 0 EDADLP CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000544601631 306077070 /nfs/dbraw/zinc/07/70/70/306077070.db2.gz DEPMFTLPPXALBA-CJNGLKHVSA-N 2 2 329.510 1.120 20 0 EDADLP CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000544601631 306077071 /nfs/dbraw/zinc/07/70/71/306077071.db2.gz DEPMFTLPPXALBA-CJNGLKHVSA-N 2 2 329.510 1.120 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000547628361 306105648 /nfs/dbraw/zinc/10/56/48/306105648.db2.gz XLLWZTJVZTVOKW-BQFCYCMXSA-N 2 2 339.443 1.943 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000547628361 306105649 /nfs/dbraw/zinc/10/56/49/306105649.db2.gz XLLWZTJVZTVOKW-BQFCYCMXSA-N 2 2 339.443 1.943 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC000552998489 306181898 /nfs/dbraw/zinc/18/18/98/306181898.db2.gz FNLHXNDLHRODOW-CABCVRRESA-N 2 2 332.448 1.265 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC000552998489 306181899 /nfs/dbraw/zinc/18/18/99/306181899.db2.gz FNLHXNDLHRODOW-CABCVRRESA-N 2 2 332.448 1.265 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553057161 306182207 /nfs/dbraw/zinc/18/22/07/306182207.db2.gz PLAGZSXCNBJTQG-KGLIPLIRSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553057161 306182208 /nfs/dbraw/zinc/18/22/08/306182208.db2.gz PLAGZSXCNBJTQG-KGLIPLIRSA-N 2 2 343.431 1.509 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000556685584 306213880 /nfs/dbraw/zinc/21/38/80/306213880.db2.gz IZALSKOMLXYWCP-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000556685584 306213881 /nfs/dbraw/zinc/21/38/81/306213881.db2.gz IZALSKOMLXYWCP-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000556853943 306220458 /nfs/dbraw/zinc/22/04/58/306220458.db2.gz HCJIRJVRHYDYEA-JFIYKMOQSA-N 2 2 348.491 1.110 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000557193118 306225944 /nfs/dbraw/zinc/22/59/44/306225944.db2.gz CUZNKORSYGTQKO-JKSUJKDBSA-N 2 2 325.416 1.623 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000378111488 447401332 /nfs/dbraw/zinc/40/13/32/447401332.db2.gz NICRIWXQWGTRSK-WMLDXEAASA-N 2 2 327.432 1.869 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000378111488 447401335 /nfs/dbraw/zinc/40/13/35/447401335.db2.gz NICRIWXQWGTRSK-WMLDXEAASA-N 2 2 327.432 1.869 20 0 EDADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458620513 447427944 /nfs/dbraw/zinc/42/79/44/447427944.db2.gz NQNIXTQXSXEWPC-HNNXBMFYSA-N 2 2 329.448 1.782 20 0 EDADLP CCc1cnccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378451696 447430028 /nfs/dbraw/zinc/43/00/28/447430028.db2.gz KZHDMIIDEMUBRZ-KRWDZBQOSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1cnccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378451696 447430031 /nfs/dbraw/zinc/43/00/31/447430031.db2.gz KZHDMIIDEMUBRZ-KRWDZBQOSA-N 2 2 330.476 1.885 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC000045571646 441003970 /nfs/dbraw/zinc/00/39/70/441003970.db2.gz JAXPQIYOISYZNS-GASCZTMLSA-N 2 2 349.479 1.681 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC000045571646 441003976 /nfs/dbraw/zinc/00/39/76/441003976.db2.gz JAXPQIYOISYZNS-GASCZTMLSA-N 2 2 349.479 1.681 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H](O)C2)([NH+]2CCCCC2)CC1 ZINC000080493170 441174780 /nfs/dbraw/zinc/17/47/80/441174780.db2.gz DPKVWPXAEBXCCB-INIZCTEOSA-N 2 2 338.496 1.103 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080536844 441177984 /nfs/dbraw/zinc/17/79/84/441177984.db2.gz DMGVHVYMZKZCSJ-IAGOWNOFSA-N 2 2 344.459 1.409 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080536844 441177987 /nfs/dbraw/zinc/17/79/87/441177987.db2.gz DMGVHVYMZKZCSJ-IAGOWNOFSA-N 2 2 344.459 1.409 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000105104017 441233895 /nfs/dbraw/zinc/23/38/95/441233895.db2.gz LZXUPKYSKICJGI-UHFFFAOYSA-N 2 2 349.479 1.401 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000071933816 441199040 /nfs/dbraw/zinc/19/90/40/441199040.db2.gz IOUSZLDVGHVMCP-SJLPKXTDSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000071933816 441199046 /nfs/dbraw/zinc/19/90/46/441199046.db2.gz IOUSZLDVGHVMCP-SJLPKXTDSA-N 2 2 346.475 1.405 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000104719056 441201802 /nfs/dbraw/zinc/20/18/02/441201802.db2.gz MBROBVZWMGFBCV-AWEZNQCLSA-N 2 2 332.448 1.660 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960067 441212524 /nfs/dbraw/zinc/21/25/24/441212524.db2.gz TXWFCSWYJXNNPK-QLFBSQMISA-N 2 2 347.463 1.994 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960067 441212529 /nfs/dbraw/zinc/21/25/29/441212529.db2.gz TXWFCSWYJXNNPK-QLFBSQMISA-N 2 2 347.463 1.994 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000081248026 441244504 /nfs/dbraw/zinc/24/45/04/441244504.db2.gz MFAWYEOFPBWEPL-UHFFFAOYSA-N 2 2 338.521 1.953 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NOCc1ccccc1 ZINC000105246527 441245273 /nfs/dbraw/zinc/24/52/73/441245273.db2.gz UOYOJOBQFRHOIN-UHFFFAOYSA-N 2 2 334.464 1.786 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NOCc1ccccc1 ZINC000105246527 441245275 /nfs/dbraw/zinc/24/52/75/441245275.db2.gz UOYOJOBQFRHOIN-UHFFFAOYSA-N 2 2 334.464 1.786 20 0 EDADLP C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105300090 441248899 /nfs/dbraw/zinc/24/88/99/441248899.db2.gz RJDUBPLKPMRGPG-HOTGVXAUSA-N 2 2 347.463 1.022 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000049008239 441341057 /nfs/dbraw/zinc/34/10/57/441341057.db2.gz IVFKPSHABORLNL-CYBMUJFWSA-N 2 2 325.376 1.352 20 0 EDADLP CCOCCNC(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000084695028 441414430 /nfs/dbraw/zinc/41/44/30/441414430.db2.gz HCXPATPLRMFELE-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP CCOCCNC(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000084695028 441414433 /nfs/dbraw/zinc/41/44/33/441414433.db2.gz HCXPATPLRMFELE-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NCCOc1ccc(F)cc1 ZINC000109796827 441508141 /nfs/dbraw/zinc/50/81/41/441508141.db2.gz ULKPAHFHFUENFH-UHFFFAOYSA-N 2 2 346.406 1.854 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000032758392 441569992 /nfs/dbraw/zinc/56/99/92/441569992.db2.gz GHRKPCTXJSRGRF-FUHWJXTLSA-N 2 2 331.460 1.349 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000032758392 441569996 /nfs/dbraw/zinc/56/99/96/441569996.db2.gz GHRKPCTXJSRGRF-FUHWJXTLSA-N 2 2 331.460 1.349 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(F)c1 ZINC000089926661 441596121 /nfs/dbraw/zinc/59/61/21/441596121.db2.gz NCLSFFVZCBEVJB-UHFFFAOYSA-N 2 2 332.379 1.668 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090796793 441643152 /nfs/dbraw/zinc/64/31/52/441643152.db2.gz NOKZGMYQLXDFEX-HUUCEWRRSA-N 2 2 348.472 1.804 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000114478968 441662365 /nfs/dbraw/zinc/66/23/65/441662365.db2.gz LQUGQPLKMVGLRM-INIZCTEOSA-N 2 2 341.459 1.372 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000114478968 441662366 /nfs/dbraw/zinc/66/23/66/441662366.db2.gz LQUGQPLKMVGLRM-INIZCTEOSA-N 2 2 341.459 1.372 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000121461727 441710313 /nfs/dbraw/zinc/71/03/13/441710313.db2.gz ZCRHWUCISAQOME-MRXNPFEDSA-N 2 2 342.447 1.945 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)[NH+](C)C ZINC000158498831 441740830 /nfs/dbraw/zinc/74/08/30/441740830.db2.gz KCJKKECHQVHGBT-GOSISDBHSA-N 2 2 333.476 1.796 20 0 EDADLP CCc1cc(=O)[nH]c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000121624242 441744308 /nfs/dbraw/zinc/74/43/08/441744308.db2.gz MEICSHBTVTXMSG-UHFFFAOYSA-N 2 2 334.464 1.821 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000056555840 441723731 /nfs/dbraw/zinc/72/37/31/441723731.db2.gz FJHSROCYSOKOJR-UHFFFAOYSA-N 2 2 333.461 1.515 20 0 EDADLP CC[NH+](CC)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000068084732 441725346 /nfs/dbraw/zinc/72/53/46/441725346.db2.gz VZKLOERRLOPVQR-HUUCEWRRSA-N 2 2 334.464 1.653 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042909587 441797495 /nfs/dbraw/zinc/79/74/95/441797495.db2.gz FGMJIFPUCVTAOY-CYBMUJFWSA-N 2 2 326.485 1.316 20 0 EDADLP C[NH+]1CCN([C@H](C(=O)NCCCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000068510153 441810770 /nfs/dbraw/zinc/81/07/70/441810770.db2.gz PUENDYKOBZLCCZ-SFHVURJKSA-N 2 2 341.459 1.378 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000173643039 441812945 /nfs/dbraw/zinc/81/29/45/441812945.db2.gz IDEHNVUFKLRHCP-GFCCVEGCSA-N 2 2 340.493 1.787 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000068937229 441871931 /nfs/dbraw/zinc/87/19/31/441871931.db2.gz LUSOJKSWHDRVCS-BBWFWOEESA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000068937229 441871934 /nfs/dbraw/zinc/87/19/34/441871934.db2.gz LUSOJKSWHDRVCS-BBWFWOEESA-N 2 2 325.497 1.722 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116589366 441832350 /nfs/dbraw/zinc/83/23/50/441832350.db2.gz IVAFDEFRJVBCQI-CQSZACIVSA-N 2 2 336.436 1.511 20 0 EDADLP CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000093771722 441894824 /nfs/dbraw/zinc/89/48/24/441894824.db2.gz RPVAYUYAJCMSPB-IBGZPJMESA-N 2 2 344.503 1.929 20 0 EDADLP CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000093771722 441894828 /nfs/dbraw/zinc/89/48/28/441894828.db2.gz RPVAYUYAJCMSPB-IBGZPJMESA-N 2 2 344.503 1.929 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000119554078 441940291 /nfs/dbraw/zinc/94/02/91/441940291.db2.gz IPURKDXNOWGALP-UHFFFAOYSA-N 2 2 348.447 1.800 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000119554078 441940296 /nfs/dbraw/zinc/94/02/96/441940296.db2.gz IPURKDXNOWGALP-UHFFFAOYSA-N 2 2 348.447 1.800 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH+]1CCN(C)CC1 ZINC000174603928 441942882 /nfs/dbraw/zinc/94/28/82/441942882.db2.gz IBTVIJSANOGADQ-ZWKOTPCHSA-N 2 2 338.540 1.639 20 0 EDADLP CN(C)c1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175058628 441999635 /nfs/dbraw/zinc/99/96/35/441999635.db2.gz IVEURVCYOUZWLY-UHFFFAOYSA-N 2 2 333.480 1.900 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000174957986 441989184 /nfs/dbraw/zinc/98/91/84/441989184.db2.gz XESKFPUBVKHOQJ-INIZCTEOSA-N 2 2 347.459 1.695 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000174957986 441989189 /nfs/dbraw/zinc/98/91/89/441989189.db2.gz XESKFPUBVKHOQJ-INIZCTEOSA-N 2 2 347.459 1.695 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000174957986 441989191 /nfs/dbraw/zinc/98/91/91/441989191.db2.gz XESKFPUBVKHOQJ-INIZCTEOSA-N 2 2 347.459 1.695 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000174957986 441989197 /nfs/dbraw/zinc/98/91/97/441989197.db2.gz XESKFPUBVKHOQJ-INIZCTEOSA-N 2 2 347.459 1.695 20 0 EDADLP COC[C@H](C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175095236 442003061 /nfs/dbraw/zinc/00/30/61/442003061.db2.gz IDIUYUMBDMIXEI-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000151253069 442031271 /nfs/dbraw/zinc/03/12/71/442031271.db2.gz VMFYOHDJXAWAMY-HNNXBMFYSA-N 2 2 337.489 1.722 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000151253069 442031275 /nfs/dbraw/zinc/03/12/75/442031275.db2.gz VMFYOHDJXAWAMY-HNNXBMFYSA-N 2 2 337.489 1.722 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175603890 442092886 /nfs/dbraw/zinc/09/28/86/442092886.db2.gz DTIZKGKRJGOWBN-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)C1 ZINC000456721592 447445885 /nfs/dbraw/zinc/44/58/85/447445885.db2.gz QUGGGZZWRPQHJA-PXAZEXFGSA-N 2 2 346.431 1.557 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)C1 ZINC000456721592 447445889 /nfs/dbraw/zinc/44/58/89/447445889.db2.gz QUGGGZZWRPQHJA-PXAZEXFGSA-N 2 2 346.431 1.557 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cn2c1 ZINC000079744007 442082886 /nfs/dbraw/zinc/08/28/86/442082886.db2.gz IBCSPJCFCXMKMY-AWEZNQCLSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)cn2c1 ZINC000079744007 442082888 /nfs/dbraw/zinc/08/28/88/442082888.db2.gz IBCSPJCFCXMKMY-AWEZNQCLSA-N 2 2 327.432 1.926 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccco1 ZINC000126636992 442128882 /nfs/dbraw/zinc/12/88/82/442128882.db2.gz LASXIFDEHUGMFI-HUUCEWRRSA-N 2 2 343.431 1.855 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000163101513 442145021 /nfs/dbraw/zinc/14/50/21/442145021.db2.gz OUUVBLKYYBVTKU-MRXNPFEDSA-N 2 2 331.464 1.832 20 0 EDADLP CSCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000170715605 442251778 /nfs/dbraw/zinc/25/17/78/442251778.db2.gz IEDHGMQXDQLJKQ-UHFFFAOYSA-N 2 2 335.517 1.934 20 0 EDADLP CSCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000170715605 442251780 /nfs/dbraw/zinc/25/17/80/442251780.db2.gz IEDHGMQXDQLJKQ-UHFFFAOYSA-N 2 2 335.517 1.934 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152387280 442206869 /nfs/dbraw/zinc/20/68/69/442206869.db2.gz SXOISGSZFUFENJ-HZPDHXFCSA-N 2 2 337.468 1.444 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152387280 442206872 /nfs/dbraw/zinc/20/68/72/442206872.db2.gz SXOISGSZFUFENJ-HZPDHXFCSA-N 2 2 337.468 1.444 20 0 EDADLP Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127506203 442207978 /nfs/dbraw/zinc/20/79/78/442207978.db2.gz RIRGZCQWOGDUAA-UHFFFAOYSA-N 2 2 332.448 1.029 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166371188 442216345 /nfs/dbraw/zinc/21/63/45/442216345.db2.gz ZDSLNYWIOUDNJJ-WMZOPIPTSA-N 2 2 331.460 1.518 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccnc2)C1 ZINC000127768906 442224074 /nfs/dbraw/zinc/22/40/74/442224074.db2.gz OOZSKOIUWALUQG-FUHWJXTLSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccnc2)C1 ZINC000127768906 442224076 /nfs/dbraw/zinc/22/40/76/442224076.db2.gz OOZSKOIUWALUQG-FUHWJXTLSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)C1 ZINC000127768906 442224078 /nfs/dbraw/zinc/22/40/78/442224078.db2.gz OOZSKOIUWALUQG-FUHWJXTLSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)C1 ZINC000127768906 442224081 /nfs/dbraw/zinc/22/40/81/442224081.db2.gz OOZSKOIUWALUQG-FUHWJXTLSA-N 2 2 348.491 1.547 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000176866008 442264857 /nfs/dbraw/zinc/26/48/57/442264857.db2.gz OVQJIYQHFAALSB-OAHLLOKOSA-N 2 2 331.420 1.354 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170861560 442277505 /nfs/dbraw/zinc/27/75/05/442277505.db2.gz YALNJZWHSLDHFM-UHFFFAOYSA-N 2 2 349.475 1.468 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170861560 442277508 /nfs/dbraw/zinc/27/75/08/442277508.db2.gz YALNJZWHSLDHFM-UHFFFAOYSA-N 2 2 349.475 1.468 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171012874 442299358 /nfs/dbraw/zinc/29/93/58/442299358.db2.gz CKJMEYRQKWEKMB-HNNXBMFYSA-N 2 2 328.501 1.373 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171012874 442299361 /nfs/dbraw/zinc/29/93/61/442299361.db2.gz CKJMEYRQKWEKMB-HNNXBMFYSA-N 2 2 328.501 1.373 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000177125594 442300789 /nfs/dbraw/zinc/30/07/89/442300789.db2.gz FZVZKBJZSHOZCF-UHFFFAOYSA-N 2 2 341.459 1.628 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000177129862 442302078 /nfs/dbraw/zinc/30/20/78/442302078.db2.gz HWIQZQVFTSVEDM-KRWDZBQOSA-N 2 2 335.423 1.271 20 0 EDADLP C[C@H](c1ccccc1)[C@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177141773 442303988 /nfs/dbraw/zinc/30/39/88/442303988.db2.gz LEIIVXWJHHKELE-UZLBHIALSA-N 2 2 347.503 1.683 20 0 EDADLP COCC[N@H+](C)CCNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000171211722 442328836 /nfs/dbraw/zinc/32/88/36/442328836.db2.gz MNOKVZOJZVNHMJ-UHFFFAOYSA-N 2 2 338.452 1.427 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000171211722 442328838 /nfs/dbraw/zinc/32/88/38/442328838.db2.gz MNOKVZOJZVNHMJ-UHFFFAOYSA-N 2 2 338.452 1.427 20 0 EDADLP C[N@H+](CCOc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000154742163 442353974 /nfs/dbraw/zinc/35/39/74/442353974.db2.gz ISORNPKPPBITTB-UHFFFAOYSA-N 2 2 341.459 1.739 20 0 EDADLP C[N@@H+](CCOc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000154742163 442353978 /nfs/dbraw/zinc/35/39/78/442353978.db2.gz ISORNPKPPBITTB-UHFFFAOYSA-N 2 2 341.459 1.739 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000171225329 442330689 /nfs/dbraw/zinc/33/06/89/442330689.db2.gz RGVKVIVIZYSSJV-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000171225329 442330690 /nfs/dbraw/zinc/33/06/90/442330690.db2.gz RGVKVIVIZYSSJV-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(-c2ccco2)no1 ZINC000177383149 442334796 /nfs/dbraw/zinc/33/47/96/442334796.db2.gz BZTUNFNAKGQUFF-UHFFFAOYSA-N 2 2 333.436 1.787 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(-c2ccco2)no1 ZINC000177383149 442334797 /nfs/dbraw/zinc/33/47/97/442334797.db2.gz BZTUNFNAKGQUFF-UHFFFAOYSA-N 2 2 333.436 1.787 20 0 EDADLP CN(CC[N@H+](C)CC(=O)NC(C1CC1)C1CC1)C1CC[NH+](C)CC1 ZINC000177384339 442334970 /nfs/dbraw/zinc/33/49/70/442334970.db2.gz BREJUORUWXLVOR-UHFFFAOYSA-N 2 2 336.524 1.249 20 0 EDADLP CN(CC[N@@H+](C)CC(=O)NC(C1CC1)C1CC1)C1CC[NH+](C)CC1 ZINC000177384339 442334972 /nfs/dbraw/zinc/33/49/72/442334972.db2.gz BREJUORUWXLVOR-UHFFFAOYSA-N 2 2 336.524 1.249 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(C1CC1)C1CC1 ZINC000177384339 442334973 /nfs/dbraw/zinc/33/49/73/442334973.db2.gz BREJUORUWXLVOR-UHFFFAOYSA-N 2 2 336.524 1.249 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(C1CC1)C1CC1 ZINC000177384339 442334974 /nfs/dbraw/zinc/33/49/74/442334974.db2.gz BREJUORUWXLVOR-UHFFFAOYSA-N 2 2 336.524 1.249 20 0 EDADLP CCCS(=O)(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171303791 442340742 /nfs/dbraw/zinc/34/07/42/442340742.db2.gz JWNADRYFJKNLOC-HOTGVXAUSA-N 2 2 346.537 1.632 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000130336060 442343655 /nfs/dbraw/zinc/34/36/55/442343655.db2.gz CNSXGBDMIKZQGK-OAHLLOKOSA-N 2 2 331.464 1.557 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000130389786 442345603 /nfs/dbraw/zinc/34/56/03/442345603.db2.gz YGZQMTOOYOMHRK-UHFFFAOYSA-N 2 2 344.415 1.923 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000130389786 442345606 /nfs/dbraw/zinc/34/56/06/442345606.db2.gz YGZQMTOOYOMHRK-UHFFFAOYSA-N 2 2 344.415 1.923 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171081155 442308595 /nfs/dbraw/zinc/30/85/95/442308595.db2.gz SPXCIOGGWPNZCO-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171081155 442308598 /nfs/dbraw/zinc/30/85/98/442308598.db2.gz SPXCIOGGWPNZCO-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CC[C@@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000171081155 442308601 /nfs/dbraw/zinc/30/86/01/442308601.db2.gz SPXCIOGGWPNZCO-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CC[C@@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000171081155 442308605 /nfs/dbraw/zinc/30/86/05/442308605.db2.gz SPXCIOGGWPNZCO-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000130685496 442353377 /nfs/dbraw/zinc/35/33/77/442353377.db2.gz XRCWKVZZKFWINJ-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171100249 442311753 /nfs/dbraw/zinc/31/17/53/442311753.db2.gz KQYNGCVPNDRHRT-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171100249 442311754 /nfs/dbraw/zinc/31/17/54/442311754.db2.gz KQYNGCVPNDRHRT-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)C[NH+]1CCCC1 ZINC000171103354 442312948 /nfs/dbraw/zinc/31/29/48/442312948.db2.gz KEEWGWIDFKFFSV-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)C[NH+]1CCCC1 ZINC000171103354 442312951 /nfs/dbraw/zinc/31/29/51/442312951.db2.gz KEEWGWIDFKFFSV-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129459944 442317395 /nfs/dbraw/zinc/31/73/95/442317395.db2.gz CQKKSLCGKREPQS-PKOBYXMFSA-N 2 2 345.487 1.388 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129459944 442317398 /nfs/dbraw/zinc/31/73/98/442317398.db2.gz CQKKSLCGKREPQS-PKOBYXMFSA-N 2 2 345.487 1.388 20 0 EDADLP CCOc1c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(C)nn1CC(C)C ZINC000131364484 442370871 /nfs/dbraw/zinc/37/08/71/442370871.db2.gz YWWOWAXKELJEEY-QGZVFWFLSA-N 2 2 326.485 1.648 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000171728145 442374703 /nfs/dbraw/zinc/37/47/03/442374703.db2.gz MNNMRUONPYZQCI-MRXNPFEDSA-N 2 2 333.480 1.185 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000177767209 442381623 /nfs/dbraw/zinc/38/16/23/442381623.db2.gz GSNJXNSLFNUCTN-INIZCTEOSA-N 2 2 343.431 1.198 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(C)[nH+]1 ZINC000155293105 442386078 /nfs/dbraw/zinc/38/60/78/442386078.db2.gz LWXLGKZQWMBWEZ-AWEZNQCLSA-N 2 2 330.432 1.770 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(C)[nH+]1 ZINC000155293105 442386079 /nfs/dbraw/zinc/38/60/79/442386079.db2.gz LWXLGKZQWMBWEZ-AWEZNQCLSA-N 2 2 330.432 1.770 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000155345682 442388846 /nfs/dbraw/zinc/38/88/46/442388846.db2.gz DFBLCBXUJHTNSZ-HKUYNNGSSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000155345682 442388849 /nfs/dbraw/zinc/38/88/49/442388849.db2.gz DFBLCBXUJHTNSZ-HKUYNNGSSA-N 2 2 346.519 1.992 20 0 EDADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCOC1 ZINC000133706339 442430589 /nfs/dbraw/zinc/43/05/89/442430589.db2.gz ZPUJLURDGDWARY-IAGOWNOFSA-N 2 2 333.480 1.393 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000155952886 442438472 /nfs/dbraw/zinc/43/84/72/442438472.db2.gz CJZJBQASUPWHNP-IAGOWNOFSA-N 2 2 348.491 1.699 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000178673173 442455042 /nfs/dbraw/zinc/45/50/42/442455042.db2.gz FIMUANJWSZAVDF-KRWDZBQOSA-N 2 2 331.460 1.872 20 0 EDADLP C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000172406077 442455448 /nfs/dbraw/zinc/45/54/48/442455448.db2.gz XZTIKCPLTGREGH-CABCVRRESA-N 2 2 337.489 1.750 20 0 EDADLP C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000172406077 442455450 /nfs/dbraw/zinc/45/54/50/442455450.db2.gz XZTIKCPLTGREGH-CABCVRRESA-N 2 2 337.489 1.750 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)NC(=O)NC1CCCC1 ZINC000172578511 442495935 /nfs/dbraw/zinc/49/59/35/442495935.db2.gz UXIWAFAJHWFINK-INIZCTEOSA-N 2 2 336.480 1.705 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)NC(=O)NC1CCCC1 ZINC000172578511 442495938 /nfs/dbraw/zinc/49/59/38/442495938.db2.gz UXIWAFAJHWFINK-INIZCTEOSA-N 2 2 336.480 1.705 20 0 EDADLP C[N@H+](CCc1ccccn1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000179553321 442474726 /nfs/dbraw/zinc/47/47/26/442474726.db2.gz GVQUGWOBSUEUIS-UHFFFAOYSA-N 2 2 342.443 1.493 20 0 EDADLP C[N@@H+](CCc1ccccn1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000179553321 442474731 /nfs/dbraw/zinc/47/47/31/442474731.db2.gz GVQUGWOBSUEUIS-UHFFFAOYSA-N 2 2 342.443 1.493 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156385032 442474846 /nfs/dbraw/zinc/47/48/46/442474846.db2.gz KLBRIYRIIIXFSM-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178888721 442515976 /nfs/dbraw/zinc/51/59/76/442515976.db2.gz LTBVIQLCAWPJQH-DLBZAZTESA-N 2 2 343.475 1.930 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000134740716 442518341 /nfs/dbraw/zinc/51/83/41/442518341.db2.gz JWABMYUPQRLQBJ-AWEZNQCLSA-N 2 2 336.480 1.656 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000134740716 442518343 /nfs/dbraw/zinc/51/83/43/442518343.db2.gz JWABMYUPQRLQBJ-AWEZNQCLSA-N 2 2 336.480 1.656 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000172697468 442522835 /nfs/dbraw/zinc/52/28/35/442522835.db2.gz HOTMGLUBJPDKSH-SFHVURJKSA-N 2 2 331.460 1.326 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ncccn2)CC1 ZINC000192124366 442597981 /nfs/dbraw/zinc/59/79/81/442597981.db2.gz XIAVEFJRJWHUPD-UHFFFAOYSA-N 2 2 345.491 1.681 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180616819 442635404 /nfs/dbraw/zinc/63/54/04/442635404.db2.gz ITOCLBXMEVLWIE-MRXNPFEDSA-N 2 2 327.432 1.073 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180616819 442635406 /nfs/dbraw/zinc/63/54/06/442635406.db2.gz ITOCLBXMEVLWIE-MRXNPFEDSA-N 2 2 327.432 1.073 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000187023376 442647148 /nfs/dbraw/zinc/64/71/48/442647148.db2.gz SPOIXYQQXOVKSB-UHFFFAOYSA-N 2 2 326.444 1.916 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000187023376 442647152 /nfs/dbraw/zinc/64/71/52/442647152.db2.gz SPOIXYQQXOVKSB-UHFFFAOYSA-N 2 2 326.444 1.916 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000157754199 442610731 /nfs/dbraw/zinc/61/07/31/442610731.db2.gz GLKAMGGLFSQHJV-RDJZCZTQSA-N 2 2 348.447 1.355 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000157754199 442610734 /nfs/dbraw/zinc/61/07/34/442610734.db2.gz GLKAMGGLFSQHJV-RDJZCZTQSA-N 2 2 348.447 1.355 20 0 EDADLP Cc1ncc(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000179309445 442618758 /nfs/dbraw/zinc/61/87/58/442618758.db2.gz KOXXNRYTZIAXHQ-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP CCOC[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179312663 442619604 /nfs/dbraw/zinc/61/96/04/442619604.db2.gz NDTIIGUEWBTOCF-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181023862 442675263 /nfs/dbraw/zinc/67/52/63/442675263.db2.gz FCVKMMSPJJNJRD-GJZGRUSLSA-N 2 2 343.537 1.429 20 0 EDADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000181028655 442675817 /nfs/dbraw/zinc/67/58/17/442675817.db2.gz CZTNIGYGLXSVDV-MJGOQNOKSA-N 2 2 343.471 1.505 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000192798286 442687458 /nfs/dbraw/zinc/68/74/58/442687458.db2.gz FOQDMKFCFCHYFH-WMLDXEAASA-N 2 2 334.464 1.587 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000192798286 442687460 /nfs/dbraw/zinc/68/74/60/442687460.db2.gz FOQDMKFCFCHYFH-WMLDXEAASA-N 2 2 334.464 1.587 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2n[nH]nc21 ZINC000187934928 442699119 /nfs/dbraw/zinc/69/91/19/442699119.db2.gz UPQPFKVICUIRSN-UHFFFAOYSA-N 2 2 330.436 1.056 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2n[nH]nc21 ZINC000187934928 442699120 /nfs/dbraw/zinc/69/91/20/442699120.db2.gz UPQPFKVICUIRSN-UHFFFAOYSA-N 2 2 330.436 1.056 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2nn[nH]c21 ZINC000187934928 442699122 /nfs/dbraw/zinc/69/91/22/442699122.db2.gz UPQPFKVICUIRSN-UHFFFAOYSA-N 2 2 330.436 1.056 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2nn[nH]c21 ZINC000187934928 442699123 /nfs/dbraw/zinc/69/91/23/442699123.db2.gz UPQPFKVICUIRSN-UHFFFAOYSA-N 2 2 330.436 1.056 20 0 EDADLP Cn1c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2sc1=O ZINC000192625238 442669189 /nfs/dbraw/zinc/66/91/89/442669189.db2.gz ZNTYKPMSGXFHBI-OAHLLOKOSA-N 2 2 347.484 1.754 20 0 EDADLP Cn1c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2sc1=O ZINC000192625238 442669192 /nfs/dbraw/zinc/66/91/92/442669192.db2.gz ZNTYKPMSGXFHBI-OAHLLOKOSA-N 2 2 347.484 1.754 20 0 EDADLP CCCCOC(=O)CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182563798 442787988 /nfs/dbraw/zinc/78/79/88/442787988.db2.gz AIDJPCICQNYIBK-JWTNVVGKSA-N 2 2 337.508 1.963 20 0 EDADLP CCCCOC(=O)CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182563798 442787994 /nfs/dbraw/zinc/78/79/94/442787994.db2.gz AIDJPCICQNYIBK-JWTNVVGKSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188713700 442795788 /nfs/dbraw/zinc/79/57/88/442795788.db2.gz BHZGWZQVCLPOMF-HNNXBMFYSA-N 2 2 342.443 1.790 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1CC(C)(C)O ZINC000188713700 442795792 /nfs/dbraw/zinc/79/57/92/442795792.db2.gz BHZGWZQVCLPOMF-HNNXBMFYSA-N 2 2 342.443 1.790 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[NH+]2CCOCC2)c1 ZINC000188720084 442796503 /nfs/dbraw/zinc/79/65/03/442796503.db2.gz FFJURXSXLQIPTL-GVDBMIGSSA-N 2 2 335.423 1.185 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265445029 442775213 /nfs/dbraw/zinc/77/52/13/442775213.db2.gz AODFRPGPPSYJDF-GFCCVEGCSA-N 2 2 341.415 1.715 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000182492821 442776271 /nfs/dbraw/zinc/77/62/71/442776271.db2.gz HFUCRNQANSBWBY-OALUTQOASA-N 2 2 345.487 1.830 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000182492821 442776274 /nfs/dbraw/zinc/77/62/74/442776274.db2.gz HFUCRNQANSBWBY-OALUTQOASA-N 2 2 345.487 1.830 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000182492821 442776277 /nfs/dbraw/zinc/77/62/77/442776277.db2.gz HFUCRNQANSBWBY-OALUTQOASA-N 2 2 345.487 1.830 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000182492821 442776281 /nfs/dbraw/zinc/77/62/81/442776281.db2.gz HFUCRNQANSBWBY-OALUTQOASA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000182531574 442781458 /nfs/dbraw/zinc/78/14/58/442781458.db2.gz YWRDDLDRRUUDLS-LSDHHAIUSA-N 2 2 346.475 1.848 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@H]1CCOC1 ZINC000247211672 442840991 /nfs/dbraw/zinc/84/09/91/442840991.db2.gz XVOKRNSXEFCMBA-JKSUJKDBSA-N 2 2 332.448 1.087 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@H]1CCOC1 ZINC000247211672 442840994 /nfs/dbraw/zinc/84/09/94/442840994.db2.gz XVOKRNSXEFCMBA-JKSUJKDBSA-N 2 2 332.448 1.087 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)/C=C/C[NH+](C)C)[NH+]2CCOCC2)c1 ZINC000265616644 442847664 /nfs/dbraw/zinc/84/76/64/442847664.db2.gz GOHIDIQXJMYDQV-KRZKXXONSA-N 2 2 331.460 1.602 20 0 EDADLP CNC(=O)c1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175122912 318438415 /nfs/dbraw/zinc/43/84/15/318438415.db2.gz ABEOQFNSKAUVLT-UHFFFAOYSA-N 2 2 347.463 1.194 20 0 EDADLP c1cn(CCC[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c[nH+]1 ZINC000183175739 442895231 /nfs/dbraw/zinc/89/52/31/442895231.db2.gz CEDWTMOZJNTGTN-UHFFFAOYSA-N 2 2 330.436 1.742 20 0 EDADLP c1cn(CCC[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c[nH+]1 ZINC000183175739 442895233 /nfs/dbraw/zinc/89/52/33/442895233.db2.gz CEDWTMOZJNTGTN-UHFFFAOYSA-N 2 2 330.436 1.742 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000268283419 442931671 /nfs/dbraw/zinc/93/16/71/442931671.db2.gz YMBIXUJEHAPHTG-YJBOKZPZSA-N 2 2 346.475 1.933 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000248958475 442940369 /nfs/dbraw/zinc/94/03/69/442940369.db2.gz FGQSERPFDGFKBT-BSLXNSKLSA-N 2 2 327.350 1.526 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000248958475 442940373 /nfs/dbraw/zinc/94/03/73/442940373.db2.gz FGQSERPFDGFKBT-BSLXNSKLSA-N 2 2 327.350 1.526 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000189683557 442993760 /nfs/dbraw/zinc/99/37/60/442993760.db2.gz DSJUJWYVXWXPMD-PKOBYXMFSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000189683557 442993764 /nfs/dbraw/zinc/99/37/64/442993764.db2.gz DSJUJWYVXWXPMD-PKOBYXMFSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000194756471 442951169 /nfs/dbraw/zinc/95/11/69/442951169.db2.gz UMFSAWAFUWQMHO-CALCHBBNSA-N 2 2 341.496 1.057 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000194756471 442951173 /nfs/dbraw/zinc/95/11/73/442951173.db2.gz UMFSAWAFUWQMHO-CALCHBBNSA-N 2 2 341.496 1.057 20 0 EDADLP OCc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000266245475 443072260 /nfs/dbraw/zinc/07/22/60/443072260.db2.gz YLKCRRYIWKZCKZ-UHFFFAOYSA-N 3 2 330.432 1.469 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000185127207 443143845 /nfs/dbraw/zinc/14/38/45/443143845.db2.gz DZSQOJGILGUPLV-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000185127207 443143846 /nfs/dbraw/zinc/14/38/46/443143846.db2.gz DZSQOJGILGUPLV-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(N2CCOC2=O)c1 ZINC000268923239 443147568 /nfs/dbraw/zinc/14/75/68/443147568.db2.gz PHJVZVUULIAGAN-RHSMWYFYSA-N 2 2 332.448 1.540 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(N2CCOC2=O)c1 ZINC000268923239 443147569 /nfs/dbraw/zinc/14/75/69/443147569.db2.gz PHJVZVUULIAGAN-RHSMWYFYSA-N 2 2 332.448 1.540 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000237872181 443185688 /nfs/dbraw/zinc/18/56/88/443185688.db2.gz GAPSZHGDNFHCNM-KOLCDFICSA-N 2 2 337.221 1.840 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266630047 443191433 /nfs/dbraw/zinc/19/14/33/443191433.db2.gz WVBAQGYINSBMHG-FUHWJXTLSA-N 2 2 342.443 1.679 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266630047 443191436 /nfs/dbraw/zinc/19/14/36/443191436.db2.gz WVBAQGYINSBMHG-FUHWJXTLSA-N 2 2 342.443 1.679 20 0 EDADLP O=C(C[C@H]1C[NH2+]CCO1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000269231727 443242626 /nfs/dbraw/zinc/24/26/26/443242626.db2.gz DAINUJSJIIGWMM-AWEZNQCLSA-N 2 2 330.388 1.279 20 0 EDADLP C[N@H+](CCCNC(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1)Cc1ccccc1 ZINC000350042213 319040150 /nfs/dbraw/zinc/04/01/50/319040150.db2.gz QXRVLMCDQXMSFW-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+](CCCNC(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1)Cc1ccccc1 ZINC000350042213 319040152 /nfs/dbraw/zinc/04/01/52/319040152.db2.gz QXRVLMCDQXMSFW-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](CCCNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)Cc1ccccc1 ZINC000350042213 319040155 /nfs/dbraw/zinc/04/01/55/319040155.db2.gz QXRVLMCDQXMSFW-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000411247166 319174786 /nfs/dbraw/zinc/17/47/86/319174786.db2.gz PIPHNVORIUIQQR-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)Cn1cc[nH+]c1 ZINC000414466364 319328074 /nfs/dbraw/zinc/32/80/74/319328074.db2.gz HAQYHAXGZHPTKD-AWEZNQCLSA-N 2 2 336.461 1.559 20 0 EDADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000414653216 319336896 /nfs/dbraw/zinc/33/68/96/319336896.db2.gz HREVOOKOLHKCMF-UHFFFAOYSA-N 2 2 345.422 1.183 20 0 EDADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000414653216 319336897 /nfs/dbraw/zinc/33/68/97/319336897.db2.gz HREVOOKOLHKCMF-UHFFFAOYSA-N 2 2 345.422 1.183 20 0 EDADLP CC1(C)CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[NH2+]1 ZINC000415823707 319374499 /nfs/dbraw/zinc/37/44/99/319374499.db2.gz RKETZEURLOROAF-UHFFFAOYSA-N 2 2 327.388 1.021 20 0 EDADLP CC[NH+](CC)CCCN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000191384219 443287759 /nfs/dbraw/zinc/28/77/59/443287759.db2.gz UDNLQYUEJQNREJ-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCC[NH2+]C3)c[nH+]2)CCO1 ZINC000269353234 443290587 /nfs/dbraw/zinc/29/05/87/443290587.db2.gz OJYPYZMRTWLPIJ-KBXCAEBGSA-N 2 2 332.448 1.313 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCN(C3CCCCC3)C1=O)CCO2 ZINC000625508826 450401128 /nfs/dbraw/zinc/40/11/28/450401128.db2.gz IKZPDNPAZYRHRA-KRWDZBQOSA-N 2 2 335.492 1.717 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCN(C3CCCCC3)C1=O)CCO2 ZINC000625508826 450401129 /nfs/dbraw/zinc/40/11/29/450401129.db2.gz IKZPDNPAZYRHRA-KRWDZBQOSA-N 2 2 335.492 1.717 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416888021 319469392 /nfs/dbraw/zinc/46/93/92/319469392.db2.gz PKOOEBKXNWUVJA-IAGOWNOFSA-N 2 2 334.464 1.405 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000416915875 319473462 /nfs/dbraw/zinc/47/34/62/319473462.db2.gz IICOPRYLSHJMOP-LSDHHAIUSA-N 2 2 331.395 1.781 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000272463633 443327964 /nfs/dbraw/zinc/32/79/64/443327964.db2.gz OVMROXPXOVCQKQ-GDBMZVCRSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000272463633 443327966 /nfs/dbraw/zinc/32/79/66/443327966.db2.gz OVMROXPXOVCQKQ-GDBMZVCRSA-N 2 2 340.431 1.503 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000418415528 319500668 /nfs/dbraw/zinc/50/06/68/319500668.db2.gz NPLWVAZFBDQQSZ-MRXNPFEDSA-N 2 2 348.491 1.656 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000278522343 443352368 /nfs/dbraw/zinc/35/23/68/443352368.db2.gz CUOKUEJMYWJOIJ-UHFFFAOYSA-N 2 2 345.422 1.338 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000278713341 443410098 /nfs/dbraw/zinc/41/00/98/443410098.db2.gz CBKLVONKORNOLB-UHFFFAOYSA-N 2 2 328.416 1.774 20 0 EDADLP CCc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nc(C)[nH+]1 ZINC000272815979 443455115 /nfs/dbraw/zinc/45/51/15/443455115.db2.gz DINPKBKUJJWJTH-AWEZNQCLSA-N 2 2 331.464 1.480 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000267450529 443461694 /nfs/dbraw/zinc/46/16/94/443461694.db2.gz RJNLOTBIDUHJKC-LBPRGKRZSA-N 2 2 333.461 1.877 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000267450529 443461696 /nfs/dbraw/zinc/46/16/96/443461696.db2.gz RJNLOTBIDUHJKC-LBPRGKRZSA-N 2 2 333.461 1.877 20 0 EDADLP O=C1C[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1Cc1ccccc1 ZINC000423013133 319745743 /nfs/dbraw/zinc/74/57/43/319745743.db2.gz MDLDWTFBJCXUGU-POAQFYNOSA-N 2 2 343.471 1.392 20 0 EDADLP CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000423195758 319755403 /nfs/dbraw/zinc/75/54/03/319755403.db2.gz YGTGEWKBOZYOOP-XOYOTBSWSA-N 2 2 334.464 1.337 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)cc(OC)c1 ZINC000423439775 319776241 /nfs/dbraw/zinc/77/62/41/319776241.db2.gz WMJCETSQCZYBLS-GOSISDBHSA-N 2 2 347.459 1.475 20 0 EDADLP CO[C@@]1(C)CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000279200398 443533028 /nfs/dbraw/zinc/53/30/28/443533028.db2.gz AQHVQKGVGQHGJB-IBGZPJMESA-N 2 2 346.475 1.621 20 0 EDADLP CO[C@@]1(C)CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000279200398 443533030 /nfs/dbraw/zinc/53/30/30/443533030.db2.gz AQHVQKGVGQHGJB-IBGZPJMESA-N 2 2 346.475 1.621 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272270219 443574894 /nfs/dbraw/zinc/57/48/94/443574894.db2.gz CXSNCVQFMPTDMQ-ZBFHGGJFSA-N 2 2 325.416 1.966 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272270219 443574898 /nfs/dbraw/zinc/57/48/98/443574898.db2.gz CXSNCVQFMPTDMQ-ZBFHGGJFSA-N 2 2 325.416 1.966 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC[C@H]21 ZINC000272294250 443583366 /nfs/dbraw/zinc/58/33/66/443583366.db2.gz VQYFTBWJGXBFGX-RHSMWYFYSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC[C@H]21 ZINC000272294250 443583367 /nfs/dbraw/zinc/58/33/67/443583367.db2.gz VQYFTBWJGXBFGX-RHSMWYFYSA-N 2 2 325.416 1.824 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000265402649 443629773 /nfs/dbraw/zinc/62/97/73/443629773.db2.gz YQTMRPPOOFWWLO-UHFFFAOYSA-N 2 2 331.464 1.653 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000434272029 319996471 /nfs/dbraw/zinc/99/64/71/319996471.db2.gz QFABWTVEIGDBKO-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000441614815 320099531 /nfs/dbraw/zinc/09/95/31/320099531.db2.gz XCJHSVNIBLMBDS-ZDUSSCGKSA-N 2 2 329.404 1.237 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)c2)CC1 ZINC000444270849 320123522 /nfs/dbraw/zinc/12/35/22/320123522.db2.gz PYEAQACYRMEOBU-MJGOQNOKSA-N 2 2 328.460 1.372 20 0 EDADLP Cc1nn(C)c(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)c1Br ZINC000447940108 320148525 /nfs/dbraw/zinc/14/85/25/320148525.db2.gz NFFJJHYAJNJBCB-NSHDSACASA-N 2 2 345.285 1.691 20 0 EDADLP Cc1cccc2c1C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)O2 ZINC000448976152 320168727 /nfs/dbraw/zinc/16/87/27/320168727.db2.gz LFUBMHSHVWOROC-LJQANCHMSA-N 2 2 345.487 1.783 20 0 EDADLP Cc1cccc2c1C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)O2 ZINC000448976152 320168729 /nfs/dbraw/zinc/16/87/29/320168729.db2.gz LFUBMHSHVWOROC-LJQANCHMSA-N 2 2 345.487 1.783 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc2c1OCCO2 ZINC000449392808 320187432 /nfs/dbraw/zinc/18/74/32/320187432.db2.gz KZBKRYJMRLTWRQ-OAHLLOKOSA-N 2 2 336.432 1.403 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc2c1OCCO2 ZINC000449392808 320187435 /nfs/dbraw/zinc/18/74/35/320187435.db2.gz KZBKRYJMRLTWRQ-OAHLLOKOSA-N 2 2 336.432 1.403 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394262 320187772 /nfs/dbraw/zinc/18/77/72/320187772.db2.gz NKIUZNFOYZONAS-HKUYNNGSSA-N 2 2 347.503 1.560 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394262 320187774 /nfs/dbraw/zinc/18/77/74/320187774.db2.gz NKIUZNFOYZONAS-HKUYNNGSSA-N 2 2 347.503 1.560 20 0 EDADLP CO[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000451494472 320235639 /nfs/dbraw/zinc/23/56/39/320235639.db2.gz KTOOCFDQWMBQSK-HZPDHXFCSA-N 2 2 346.475 1.523 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(-n2cncn2)cc1 ZINC000453266346 320261402 /nfs/dbraw/zinc/26/14/02/320261402.db2.gz XKPFCEAXLJJVRU-CRAIPNDOSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(-n2cncn2)cc1 ZINC000453266346 320261403 /nfs/dbraw/zinc/26/14/03/320261403.db2.gz XKPFCEAXLJJVRU-CRAIPNDOSA-N 2 2 329.448 1.765 20 0 EDADLP C[NH+](C)C/C=C\C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000492665257 320382402 /nfs/dbraw/zinc/38/24/02/320382402.db2.gz AJHOVWDTJYNCDB-QKIRZYONSA-N 2 2 344.459 1.779 20 0 EDADLP CN1CC[NH+](CC2(C)CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000492813602 320386907 /nfs/dbraw/zinc/38/69/07/320386907.db2.gz PVVWDHMPABIIFK-ONEGZZNKSA-N 2 2 331.464 1.299 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000493132879 320393129 /nfs/dbraw/zinc/39/31/29/320393129.db2.gz RKIVBONWCBIZFL-TZGMSPROSA-N 2 2 344.278 1.625 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(Br)s2)[C@H](C[NH3+])C1 ZINC000493132879 320393130 /nfs/dbraw/zinc/39/31/30/320393130.db2.gz RKIVBONWCBIZFL-TZGMSPROSA-N 2 2 344.278 1.625 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](CCOCCO)C(C)C)c2cc1C ZINC000283747974 443704802 /nfs/dbraw/zinc/70/48/02/443704802.db2.gz JZZHKLBBLPUBGX-KRWDZBQOSA-N 2 2 349.475 1.733 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](CCOCCO)C(C)C)c2cc1C ZINC000283747974 443704805 /nfs/dbraw/zinc/70/48/05/443704805.db2.gz JZZHKLBBLPUBGX-KRWDZBQOSA-N 2 2 349.475 1.733 20 0 EDADLP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000517018024 320445419 /nfs/dbraw/zinc/44/54/19/320445419.db2.gz BXIIIEKCQJBXSS-KBPBESRZSA-N 2 2 332.448 1.563 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21)c1ccccc1 ZINC000280486838 443725362 /nfs/dbraw/zinc/72/53/62/443725362.db2.gz AMVCPLRHEFSWER-KURKYZTESA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21)c1ccccc1 ZINC000280486838 443725367 /nfs/dbraw/zinc/72/53/67/443725367.db2.gz AMVCPLRHEFSWER-KURKYZTESA-N 2 2 331.460 1.659 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298266678 443734147 /nfs/dbraw/zinc/73/41/47/443734147.db2.gz WDXVSTMVXNWLID-KGLIPLIRSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298266678 443734151 /nfs/dbraw/zinc/73/41/51/443734151.db2.gz WDXVSTMVXNWLID-KGLIPLIRSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292247436 443785679 /nfs/dbraw/zinc/78/56/79/443785679.db2.gz XIIWLCYXZZBDGZ-ACJLOTCBSA-N 2 2 348.422 1.890 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292247436 443785685 /nfs/dbraw/zinc/78/56/85/443785685.db2.gz XIIWLCYXZZBDGZ-ACJLOTCBSA-N 2 2 348.422 1.890 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292247436 443785689 /nfs/dbraw/zinc/78/56/89/443785689.db2.gz XIIWLCYXZZBDGZ-ACJLOTCBSA-N 2 2 348.422 1.890 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292247436 443785693 /nfs/dbraw/zinc/78/56/93/443785693.db2.gz XIIWLCYXZZBDGZ-ACJLOTCBSA-N 2 2 348.422 1.890 20 0 EDADLP COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000527769620 320524698 /nfs/dbraw/zinc/52/46/98/320524698.db2.gz AZOADQCEXJFHRS-MRXNPFEDSA-N 2 2 343.475 1.859 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(Cc3[nH+]ccn3Cc3ccccc3)[C@H]2C1 ZINC000284634880 443782246 /nfs/dbraw/zinc/78/22/46/443782246.db2.gz NMGCELIKBQPKMQ-ROUUACIJSA-N 2 2 326.444 1.836 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(Cc3[nH+]ccn3Cc3ccccc3)[C@H]2C1 ZINC000284634880 443782251 /nfs/dbraw/zinc/78/22/51/443782251.db2.gz NMGCELIKBQPKMQ-ROUUACIJSA-N 2 2 326.444 1.836 20 0 EDADLP C[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000298635933 443823882 /nfs/dbraw/zinc/82/38/82/443823882.db2.gz IHOVEJPLQKHPHX-UHFFFAOYSA-N 2 2 346.475 1.366 20 0 EDADLP C[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000298635933 443823887 /nfs/dbraw/zinc/82/38/87/443823887.db2.gz IHOVEJPLQKHPHX-UHFFFAOYSA-N 2 2 346.475 1.366 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCO1 ZINC000298585365 443807460 /nfs/dbraw/zinc/80/74/60/443807460.db2.gz YDMFQFNWVJBDCT-PKOBYXMFSA-N 2 2 347.503 1.848 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000281263332 443863200 /nfs/dbraw/zinc/86/32/00/443863200.db2.gz FHKRPQPOMJLBFI-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000281263332 443863203 /nfs/dbraw/zinc/86/32/03/443863203.db2.gz FHKRPQPOMJLBFI-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP C[NH+](CCC[N@@H+](C)C[C@H](O)COCC(F)(F)F)Cc1ccco1 ZINC000293168618 443941631 /nfs/dbraw/zinc/94/16/31/443941631.db2.gz CTQRWLAPRPEOHY-ZDUSSCGKSA-N 2 2 338.370 1.973 20 0 EDADLP C[NH+](CCC[N@H+](C)C[C@H](O)COCC(F)(F)F)Cc1ccco1 ZINC000293168618 443941634 /nfs/dbraw/zinc/94/16/34/443941634.db2.gz CTQRWLAPRPEOHY-ZDUSSCGKSA-N 2 2 338.370 1.973 20 0 EDADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H](O)COCC(F)(F)F ZINC000293168618 443941635 /nfs/dbraw/zinc/94/16/35/443941635.db2.gz CTQRWLAPRPEOHY-ZDUSSCGKSA-N 2 2 338.370 1.973 20 0 EDADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H](O)COCC(F)(F)F ZINC000293168618 443941639 /nfs/dbraw/zinc/94/16/39/443941639.db2.gz CTQRWLAPRPEOHY-ZDUSSCGKSA-N 2 2 338.370 1.973 20 0 EDADLP C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000293088783 443921565 /nfs/dbraw/zinc/92/15/65/443921565.db2.gz TULCXTTVYRGSGZ-KBXCAEBGSA-N 2 2 346.475 1.834 20 0 EDADLP Cc1c(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000285395735 443968732 /nfs/dbraw/zinc/96/87/32/443968732.db2.gz HVPQTZUQLJFSTR-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1c(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000285395735 443968734 /nfs/dbraw/zinc/96/87/34/443968734.db2.gz HVPQTZUQLJFSTR-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@H](O)CC3)CC2)c1 ZINC000293322658 443983720 /nfs/dbraw/zinc/98/37/20/443983720.db2.gz XPSSYSOTPAWJRH-IBGZPJMESA-N 2 2 345.487 1.486 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@H](O)CC3)CC2)c1 ZINC000293322658 443983724 /nfs/dbraw/zinc/98/37/24/443983724.db2.gz XPSSYSOTPAWJRH-IBGZPJMESA-N 2 2 345.487 1.486 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C[N@@H+]1C1CC1 ZINC000288852650 443999418 /nfs/dbraw/zinc/99/94/18/443999418.db2.gz FFGUWVAYCGLGFP-VNHYZAJKSA-N 2 2 345.447 1.205 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C[N@H+]1C1CC1 ZINC000288852650 443999424 /nfs/dbraw/zinc/99/94/24/443999424.db2.gz FFGUWVAYCGLGFP-VNHYZAJKSA-N 2 2 345.447 1.205 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000277296064 443954644 /nfs/dbraw/zinc/95/46/44/443954644.db2.gz BVCJGWUUCCTTRM-KRWDZBQOSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548639305 320889144 /nfs/dbraw/zinc/88/91/44/320889144.db2.gz SYGMAXSVOHMOII-MRXNPFEDSA-N 2 2 339.443 1.934 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299450116 444049750 /nfs/dbraw/zinc/04/97/50/444049750.db2.gz WPEKFHIHMKUFRQ-UKRRQHHQSA-N 2 2 341.415 1.358 20 0 EDADLP C[N@H+](CCNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1)Cc1ccccc1 ZINC000285512841 444011919 /nfs/dbraw/zinc/01/19/19/444011919.db2.gz SKNQNYLBQDXLAD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+](CCNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1)Cc1ccccc1 ZINC000285512841 444011924 /nfs/dbraw/zinc/01/19/24/444011924.db2.gz SKNQNYLBQDXLAD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000285512841 444011927 /nfs/dbraw/zinc/01/19/27/444011927.db2.gz SKNQNYLBQDXLAD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000285512841 444011930 /nfs/dbraw/zinc/01/19/30/444011930.db2.gz SKNQNYLBQDXLAD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000277942522 444068402 /nfs/dbraw/zinc/06/84/02/444068402.db2.gz ZMPFMGUYMGRCMZ-HNNXBMFYSA-N 2 2 334.445 1.666 20 0 EDADLP CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000277942522 444068406 /nfs/dbraw/zinc/06/84/06/444068406.db2.gz ZMPFMGUYMGRCMZ-HNNXBMFYSA-N 2 2 334.445 1.666 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557358771 321002785 /nfs/dbraw/zinc/00/27/85/321002785.db2.gz UQNNUVIXTLSORJ-ZDUSSCGKSA-N 2 2 329.404 1.119 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557358771 321002786 /nfs/dbraw/zinc/00/27/86/321002786.db2.gz UQNNUVIXTLSORJ-ZDUSSCGKSA-N 2 2 329.404 1.119 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CCCCC1 ZINC000557376991 321003402 /nfs/dbraw/zinc/00/34/02/321003402.db2.gz IERDUYBGKLDDED-UHFFFAOYSA-N 2 2 343.431 1.654 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CCCCC1 ZINC000557376991 321003403 /nfs/dbraw/zinc/00/34/03/321003403.db2.gz IERDUYBGKLDDED-UHFFFAOYSA-N 2 2 343.431 1.654 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457032 321058637 /nfs/dbraw/zinc/05/86/37/321058637.db2.gz RJFURAJSISHAHK-GXFFZTMASA-N 2 2 349.859 1.297 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457032 321058638 /nfs/dbraw/zinc/05/86/38/321058638.db2.gz RJFURAJSISHAHK-GXFFZTMASA-N 2 2 349.859 1.297 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3C(=O)NCC[C@H]3C)c2cc1C ZINC000562515563 321060772 /nfs/dbraw/zinc/06/07/72/321060772.db2.gz OHXJGHZHVMZFEI-JDSLSITLSA-N 2 2 330.432 1.128 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(O[C@@H]2CCOC2)c1 ZINC000562990552 321085982 /nfs/dbraw/zinc/08/59/82/321085982.db2.gz HMRCCQCMXLQWRW-ZWKOTPCHSA-N 2 2 334.460 1.707 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150074 321099676 /nfs/dbraw/zinc/09/96/76/321099676.db2.gz YCJNASVTHDYPEP-FZKQIMNGSA-N 2 2 331.416 1.818 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150074 321099678 /nfs/dbraw/zinc/09/96/78/321099678.db2.gz YCJNASVTHDYPEP-FZKQIMNGSA-N 2 2 331.416 1.818 20 0 EDADLP OCC1([NH2+]CC2CC2)CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000563214703 321101400 /nfs/dbraw/zinc/10/14/00/321101400.db2.gz CWFVYDDOIJAUTQ-UHFFFAOYSA-N 2 2 346.397 1.772 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000564447430 321132341 /nfs/dbraw/zinc/13/23/41/321132341.db2.gz SVTPSOAWDAQSBW-MRXNPFEDSA-N 2 2 342.447 1.313 20 0 EDADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000564736922 321144304 /nfs/dbraw/zinc/14/43/04/321144304.db2.gz UUAXBVRTNUGVNS-UHFFFAOYSA-N 2 2 348.472 1.635 20 0 EDADLP Cn1c[nH+]cc1CCC[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000564736922 321144306 /nfs/dbraw/zinc/14/43/06/321144306.db2.gz UUAXBVRTNUGVNS-UHFFFAOYSA-N 2 2 348.472 1.635 20 0 EDADLP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)n1cccn1 ZINC000564860126 321152330 /nfs/dbraw/zinc/15/23/30/321152330.db2.gz NLSBVMJHDDHKPJ-QGZVFWFLSA-N 2 2 347.507 1.901 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000566089486 321214214 /nfs/dbraw/zinc/21/42/14/321214214.db2.gz CRSWWTVKFOZFOC-WCQYABFASA-N 2 2 326.824 1.968 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000566414876 321228785 /nfs/dbraw/zinc/22/87/85/321228785.db2.gz SUHRKZBRJVVRAF-OAHLLOKOSA-N 2 2 348.472 1.660 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000566414876 321228788 /nfs/dbraw/zinc/22/87/88/321228788.db2.gz SUHRKZBRJVVRAF-OAHLLOKOSA-N 2 2 348.472 1.660 20 0 EDADLP [NH3+]C[C@@H]1CCCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000568489644 321293471 /nfs/dbraw/zinc/29/34/71/321293471.db2.gz KKRUZTRWBYFVDY-FUHWJXTLSA-N 2 2 346.475 1.440 20 0 EDADLP CC(C)CNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000568845181 321308129 /nfs/dbraw/zinc/30/81/29/321308129.db2.gz AEUBAGOENYDBIN-MRXNPFEDSA-N 2 2 347.463 1.179 20 0 EDADLP CC(C)CNC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000568845181 321308131 /nfs/dbraw/zinc/30/81/31/321308131.db2.gz AEUBAGOENYDBIN-MRXNPFEDSA-N 2 2 347.463 1.179 20 0 EDADLP CCc1ncc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000570025799 321334532 /nfs/dbraw/zinc/33/45/32/321334532.db2.gz LOFMGNLADCNMNQ-UHFFFAOYSA-N 2 2 345.491 1.415 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1NC(=O)CC(C)C ZINC000571557974 321392431 /nfs/dbraw/zinc/39/24/31/321392431.db2.gz MISXJPFSAVTQED-MRXNPFEDSA-N 2 2 346.475 1.695 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1NC(=O)CC(C)C ZINC000571557974 321392433 /nfs/dbraw/zinc/39/24/33/321392433.db2.gz MISXJPFSAVTQED-MRXNPFEDSA-N 2 2 346.475 1.695 20 0 EDADLP c1c[nH+]c(N2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)[nH]1 ZINC000571654752 321395178 /nfs/dbraw/zinc/39/51/78/321395178.db2.gz VMKQPEUVRHMVFY-UHFFFAOYSA-N 3 2 341.459 1.564 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC3CCC2(C[NH3+])CC3)CC1 ZINC000572053878 321412364 /nfs/dbraw/zinc/41/23/64/321412364.db2.gz WTAAUAFVRDNOFV-UHFFFAOYSA-N 2 2 345.491 1.362 20 0 EDADLP Cc1cc(N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c2cc(F)ccc2[nH+]1 ZINC000282272489 444133067 /nfs/dbraw/zinc/13/30/67/444133067.db2.gz OVQFPDSKACWETK-AWEZNQCLSA-N 2 2 346.406 1.305 20 0 EDADLP Cc1cc(N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c2cc(F)ccc2[nH+]1 ZINC000282272489 444133069 /nfs/dbraw/zinc/13/30/69/444133069.db2.gz OVQFPDSKACWETK-AWEZNQCLSA-N 2 2 346.406 1.305 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCN3CCOC[C@H]3C)c2cc1C ZINC000572992333 321442928 /nfs/dbraw/zinc/44/29/28/321442928.db2.gz GDRLCQDDRWNNSX-IAGOWNOFSA-N 2 2 346.475 1.324 20 0 EDADLP Cc1cnccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000294809260 444145337 /nfs/dbraw/zinc/14/53/37/444145337.db2.gz LYWNVNBXJZBTLW-LJQANCHMSA-N 2 2 332.492 1.617 20 0 EDADLP Cc1cnccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000294809260 444145343 /nfs/dbraw/zinc/14/53/43/444145343.db2.gz LYWNVNBXJZBTLW-LJQANCHMSA-N 2 2 332.492 1.617 20 0 EDADLP C[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000301190139 444152920 /nfs/dbraw/zinc/15/29/20/444152920.db2.gz VUHATDOXGBRWKM-PMPSAXMXSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000301190139 444152925 /nfs/dbraw/zinc/15/29/25/444152925.db2.gz VUHATDOXGBRWKM-PMPSAXMXSA-N 2 2 333.480 1.970 20 0 EDADLP COC(=O)COc1ccc(C[N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000289490586 444157564 /nfs/dbraw/zinc/15/75/64/444157564.db2.gz JJCXBUQSHNHJLZ-MRXNPFEDSA-N 2 2 336.432 1.125 20 0 EDADLP COC(=O)COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cc1 ZINC000289490586 444157567 /nfs/dbraw/zinc/15/75/67/444157567.db2.gz JJCXBUQSHNHJLZ-MRXNPFEDSA-N 2 2 336.432 1.125 20 0 EDADLP COC(=O)COc1ccc(C[NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289490586 444157570 /nfs/dbraw/zinc/15/75/70/444157570.db2.gz JJCXBUQSHNHJLZ-MRXNPFEDSA-N 2 2 336.432 1.125 20 0 EDADLP COC(=O)COc1ccc(C[NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289490586 444157573 /nfs/dbraw/zinc/15/75/73/444157573.db2.gz JJCXBUQSHNHJLZ-MRXNPFEDSA-N 2 2 336.432 1.125 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)nc[nH+]1 ZINC000301338381 444164656 /nfs/dbraw/zinc/16/46/56/444164656.db2.gz DERSABGRBZTXQV-SJORKVTESA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH+]cn1 ZINC000301338381 444164658 /nfs/dbraw/zinc/16/46/58/444164658.db2.gz DERSABGRBZTXQV-SJORKVTESA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)nc[nH+]1 ZINC000301341447 444165279 /nfs/dbraw/zinc/16/52/79/444165279.db2.gz IFQRRYQQEIIIFG-NXOAAHMSSA-N 2 2 343.475 1.358 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)nc[nH+]1 ZINC000301341447 444165282 /nfs/dbraw/zinc/16/52/82/444165282.db2.gz IFQRRYQQEIIIFG-NXOAAHMSSA-N 2 2 343.475 1.358 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)[nH+]cn1 ZINC000301341447 444165284 /nfs/dbraw/zinc/16/52/84/444165284.db2.gz IFQRRYQQEIIIFG-NXOAAHMSSA-N 2 2 343.475 1.358 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)[nH+]cn1 ZINC000301341447 444165287 /nfs/dbraw/zinc/16/52/87/444165287.db2.gz IFQRRYQQEIIIFG-NXOAAHMSSA-N 2 2 343.475 1.358 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289810094 444206052 /nfs/dbraw/zinc/20/60/52/444206052.db2.gz LOMAXXMDWSZOJK-YJBOKZPZSA-N 2 2 329.448 1.271 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289810094 444206054 /nfs/dbraw/zinc/20/60/54/444206054.db2.gz LOMAXXMDWSZOJK-YJBOKZPZSA-N 2 2 329.448 1.271 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289810091 444206408 /nfs/dbraw/zinc/20/64/08/444206408.db2.gz LOMAXXMDWSZOJK-QAPCUYQASA-N 2 2 329.448 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000289810091 444206411 /nfs/dbraw/zinc/20/64/11/444206411.db2.gz LOMAXXMDWSZOJK-QAPCUYQASA-N 2 2 329.448 1.271 20 0 EDADLP c1c[nH+]c(N2CCCC2)c(O[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000296123441 444206825 /nfs/dbraw/zinc/20/68/25/444206825.db2.gz YOZVCUAUYXRKRA-KRWDZBQOSA-N 2 2 346.475 1.467 20 0 EDADLP c1c[nH+]c(N2CCCC2)c(O[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000296123441 444206828 /nfs/dbraw/zinc/20/68/28/444206828.db2.gz YOZVCUAUYXRKRA-KRWDZBQOSA-N 2 2 346.475 1.467 20 0 EDADLP Cc1cc(N(C)C[C@@H](O)CN2CC[NH+](C)CC2)c2cc(F)ccc2[nH+]1 ZINC000302607508 444217747 /nfs/dbraw/zinc/21/77/47/444217747.db2.gz AYVPMLTWKXQYMT-MRXNPFEDSA-N 2 2 346.450 1.727 20 0 EDADLP COCCc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000289916748 444219094 /nfs/dbraw/zinc/21/90/94/444219094.db2.gz OHXYGRFUQQFGMM-AWEZNQCLSA-N 2 2 331.420 1.896 20 0 EDADLP COCCc1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000289916748 444219097 /nfs/dbraw/zinc/21/90/97/444219097.db2.gz OHXYGRFUQQFGMM-AWEZNQCLSA-N 2 2 331.420 1.896 20 0 EDADLP C[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C[NH+]1CCCC1 ZINC000302702788 444220228 /nfs/dbraw/zinc/22/02/28/444220228.db2.gz XRSRDFQKAIYDRL-JKSUJKDBSA-N 2 2 333.480 1.829 20 0 EDADLP C[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C[NH+]1CCCC1 ZINC000302702788 444220230 /nfs/dbraw/zinc/22/02/30/444220230.db2.gz XRSRDFQKAIYDRL-JKSUJKDBSA-N 2 2 333.480 1.829 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3c3cc[nH]n3)cn2)CC1 ZINC000289577908 444175221 /nfs/dbraw/zinc/17/52/21/444175221.db2.gz SYPVQQFWRRSQEP-QGZVFWFLSA-N 2 2 341.463 1.679 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3c3cc[nH]n3)cn2)CC1 ZINC000289577908 444175223 /nfs/dbraw/zinc/17/52/23/444175223.db2.gz SYPVQQFWRRSQEP-QGZVFWFLSA-N 2 2 341.463 1.679 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000301584608 444180873 /nfs/dbraw/zinc/18/08/73/444180873.db2.gz OMJUTGCTRCVUCY-NEPJUHHUSA-N 2 2 332.408 1.284 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH2+]C[C@H]3c3cccnc3)[nH+]c12 ZINC000576111222 321543178 /nfs/dbraw/zinc/54/31/78/321543178.db2.gz PNYBNDYRBXTRKI-KRWDZBQOSA-N 2 2 335.411 1.753 20 0 EDADLP COCC[N@H+](CCCc1c[nH+]ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000290318904 444266540 /nfs/dbraw/zinc/26/65/40/444266540.db2.gz CVBZYIYXTLSKMF-MRXNPFEDSA-N 2 2 326.462 1.458 20 0 EDADLP COCC[N@@H+](CCCc1c[nH+]ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000290318904 444266542 /nfs/dbraw/zinc/26/65/42/444266542.db2.gz CVBZYIYXTLSKMF-MRXNPFEDSA-N 2 2 326.462 1.458 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CCC[C@H]1O ZINC000305344154 444268957 /nfs/dbraw/zinc/26/89/57/444268957.db2.gz PRQSLDXLPPZFAS-DOTOQJQBSA-N 2 2 335.448 1.017 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CCC[C@H]1O ZINC000305344154 444268959 /nfs/dbraw/zinc/26/89/59/444268959.db2.gz PRQSLDXLPPZFAS-DOTOQJQBSA-N 2 2 335.448 1.017 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000303108111 444233624 /nfs/dbraw/zinc/23/36/24/444233624.db2.gz HGZGHLIEKBEKHJ-IEBWSBKVSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000303108111 444233626 /nfs/dbraw/zinc/23/36/26/444233626.db2.gz HGZGHLIEKBEKHJ-IEBWSBKVSA-N 2 2 348.487 1.920 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CCCC1 ZINC000297892400 444350392 /nfs/dbraw/zinc/35/03/92/444350392.db2.gz OEPGXONCLIGXLX-UHFFFAOYSA-N 2 2 329.404 1.263 20 0 EDADLP COc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000321394268 444335711 /nfs/dbraw/zinc/33/57/11/444335711.db2.gz OZUHIWZYWQKDOR-UHFFFAOYSA-N 2 2 340.855 1.124 20 0 EDADLP COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000321394268 444335712 /nfs/dbraw/zinc/33/57/12/444335712.db2.gz OZUHIWZYWQKDOR-UHFFFAOYSA-N 2 2 340.855 1.124 20 0 EDADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000328641254 444409377 /nfs/dbraw/zinc/40/93/77/444409377.db2.gz FLRBLVPGFBJUBM-CVEARBPZSA-N 2 2 327.388 1.074 20 0 EDADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000328641254 444409379 /nfs/dbraw/zinc/40/93/79/444409379.db2.gz FLRBLVPGFBJUBM-CVEARBPZSA-N 2 2 327.388 1.074 20 0 EDADLP COc1cc2c(cc1C[NH+]1CCN([C@@H]3CC[NH2+]C3)CC1)O[C@H](C)C2 ZINC000326856003 444378578 /nfs/dbraw/zinc/37/85/78/444378578.db2.gz PRKBBMISLMCDBL-RHSMWYFYSA-N 2 2 331.460 1.498 20 0 EDADLP CN(CCC[NH3+])Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000327976615 444384347 /nfs/dbraw/zinc/38/43/47/444384347.db2.gz HOXCVWZCZUIHLE-UHFFFAOYSA-N 2 2 325.420 1.293 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000579098712 321882419 /nfs/dbraw/zinc/88/24/19/321882419.db2.gz NDUZCUNOJMXSKW-DOTOQJQBSA-N 2 2 346.475 1.520 20 0 EDADLP O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000329035965 444453500 /nfs/dbraw/zinc/45/35/00/444453500.db2.gz RFTVTKFIVOSNDR-GOSISDBHSA-N 2 2 328.416 1.284 20 0 EDADLP O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000329035965 444453502 /nfs/dbraw/zinc/45/35/02/444453502.db2.gz RFTVTKFIVOSNDR-GOSISDBHSA-N 2 2 328.416 1.284 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340651805 444471744 /nfs/dbraw/zinc/47/17/44/444471744.db2.gz UDFSZZURSFMGJJ-HZPDHXFCSA-N 2 2 349.479 1.159 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340651805 444471745 /nfs/dbraw/zinc/47/17/45/444471745.db2.gz UDFSZZURSFMGJJ-HZPDHXFCSA-N 2 2 349.479 1.159 20 0 EDADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340720909 444488276 /nfs/dbraw/zinc/48/82/76/444488276.db2.gz PUGMKSFLXROBJU-XHSDSOJGSA-N 2 2 333.480 1.720 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331869993 444489450 /nfs/dbraw/zinc/48/94/50/444489450.db2.gz LTJMJPWMAAFTRJ-WDEREUQCSA-N 2 2 338.374 1.179 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331869993 444489452 /nfs/dbraw/zinc/48/94/52/444489452.db2.gz LTJMJPWMAAFTRJ-WDEREUQCSA-N 2 2 338.374 1.179 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[N@@H+]1C1CC1 ZINC000329188923 444496168 /nfs/dbraw/zinc/49/61/68/444496168.db2.gz QPSHCRWNCFEXMW-MJBXVCDLSA-N 2 2 327.494 1.158 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[N@H+]1C1CC1 ZINC000329188923 444496171 /nfs/dbraw/zinc/49/61/71/444496171.db2.gz QPSHCRWNCFEXMW-MJBXVCDLSA-N 2 2 327.494 1.158 20 0 EDADLP CC(C)C[NH+]1CCC(NC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580065387 322004066 /nfs/dbraw/zinc/00/40/66/322004066.db2.gz USHVKSWAQVJXJG-SOLBZPMBSA-N 2 2 327.513 1.167 20 0 EDADLP CC(C)C[NH+]1CCC(NC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580065387 322004070 /nfs/dbraw/zinc/00/40/70/322004070.db2.gz USHVKSWAQVJXJG-SOLBZPMBSA-N 2 2 327.513 1.167 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000580174810 322018498 /nfs/dbraw/zinc/01/84/98/322018498.db2.gz OORRHIOEZUWQOZ-CABCVRRESA-N 2 2 333.480 1.875 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000580396609 322044363 /nfs/dbraw/zinc/04/43/63/322044363.db2.gz SULQZPSXBOGXCK-LZDHAAFVSA-N 2 2 342.505 1.356 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000580396609 322044365 /nfs/dbraw/zinc/04/43/65/322044365.db2.gz SULQZPSXBOGXCK-LZDHAAFVSA-N 2 2 342.505 1.356 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000580396609 322044368 /nfs/dbraw/zinc/04/43/68/322044368.db2.gz SULQZPSXBOGXCK-LZDHAAFVSA-N 2 2 342.505 1.356 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000580396609 322044370 /nfs/dbraw/zinc/04/43/70/322044370.db2.gz SULQZPSXBOGXCK-LZDHAAFVSA-N 2 2 342.505 1.356 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2[nH+]1 ZINC000580538268 322063140 /nfs/dbraw/zinc/06/31/40/322063140.db2.gz PWNWGVQGGMQWBR-OKILXGFUSA-N 2 2 341.415 1.039 20 0 EDADLP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000580645755 322077729 /nfs/dbraw/zinc/07/77/29/322077729.db2.gz XHFLIZXHQBWTMT-WBVHZDCISA-N 2 2 328.416 1.693 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000580711751 322085866 /nfs/dbraw/zinc/08/58/66/322085866.db2.gz MYCANWBHXMZRIU-OAHLLOKOSA-N 2 2 334.445 1.400 20 0 EDADLP C[C@H](NC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000580764823 322092238 /nfs/dbraw/zinc/09/22/38/322092238.db2.gz OHLMJQUIGJELHV-KXBFYZLASA-N 2 2 345.487 1.792 20 0 EDADLP C[C@H](NC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000580764823 322092239 /nfs/dbraw/zinc/09/22/39/322092239.db2.gz OHLMJQUIGJELHV-KXBFYZLASA-N 2 2 345.487 1.792 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000581423520 322175400 /nfs/dbraw/zinc/17/54/00/322175400.db2.gz XUZFAFZDSYSOSU-RHSMWYFYSA-N 2 2 337.489 1.701 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000581424804 322175825 /nfs/dbraw/zinc/17/58/25/322175825.db2.gz IZZYAJQEPXJOSU-QRVBRYPASA-N 3 2 341.540 1.702 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)N1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000581430236 322176952 /nfs/dbraw/zinc/17/69/52/322176952.db2.gz SAHRYWXDQYGKLA-MRXNPFEDSA-N 2 2 345.491 1.470 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)Cn2cc[nH+]c2)C1 ZINC000581700712 322209600 /nfs/dbraw/zinc/20/96/00/322209600.db2.gz AHRJZMPKAHQJNZ-OAHLLOKOSA-N 2 2 341.415 1.219 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)Cn2cc[nH+]c2)C1 ZINC000581700712 322209602 /nfs/dbraw/zinc/20/96/02/322209602.db2.gz AHRJZMPKAHQJNZ-OAHLLOKOSA-N 2 2 341.415 1.219 20 0 EDADLP COc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(Cl)c1OC ZINC000581736787 322215678 /nfs/dbraw/zinc/21/56/78/322215678.db2.gz JTIGHMUYIPUTAD-DGCLKSJQSA-N 2 2 339.823 1.101 20 0 EDADLP COc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(Cl)c1OC ZINC000581736787 322215681 /nfs/dbraw/zinc/21/56/81/322215681.db2.gz JTIGHMUYIPUTAD-DGCLKSJQSA-N 2 2 339.823 1.101 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000581873366 322226383 /nfs/dbraw/zinc/22/63/83/322226383.db2.gz XRLIKWTXKUMNSK-XKMJEZSVSA-N 2 2 331.464 1.724 20 0 EDADLP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000581882014 322227896 /nfs/dbraw/zinc/22/78/96/322227896.db2.gz YVBTZABSTDPYJA-LSDHHAIUSA-N 2 2 328.420 1.898 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC[N@@H+](C(C)(C)C)CC3)nc[nH+]2)C1 ZINC000581930557 322234031 /nfs/dbraw/zinc/23/40/31/322234031.db2.gz GTLAGVUAFAVQNN-HOTGVXAUSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC[N@H+](C(C)(C)C)CC3)nc[nH+]2)C1 ZINC000581930557 322234033 /nfs/dbraw/zinc/23/40/33/322234033.db2.gz GTLAGVUAFAVQNN-HOTGVXAUSA-N 2 2 347.507 1.994 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](C(C)(C)C)[C@@H](O)C3)cn2)CC1 ZINC000332382685 444512738 /nfs/dbraw/zinc/51/27/38/444512738.db2.gz HOYKSOCINSEKOP-IRXDYDNUSA-N 2 2 347.507 1.457 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](C(C)(C)C)[C@@H](O)C3)cn2)CC1 ZINC000332382685 444512741 /nfs/dbraw/zinc/51/27/41/444512741.db2.gz HOYKSOCINSEKOP-IRXDYDNUSA-N 2 2 347.507 1.457 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CCC1 ZINC000342128163 444523411 /nfs/dbraw/zinc/52/34/11/444523411.db2.gz GHRHQSPEYXVXIT-UHFFFAOYSA-N 2 2 344.459 1.335 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000342242620 444583814 /nfs/dbraw/zinc/58/38/14/444583814.db2.gz GZWCLPPANTVXFF-NJAFHUGGSA-N 2 2 335.492 1.715 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000342242620 444583820 /nfs/dbraw/zinc/58/38/20/444583820.db2.gz GZWCLPPANTVXFF-NJAFHUGGSA-N 2 2 335.492 1.715 20 0 EDADLP CC1CCC([NH+]2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)CC1 ZINC000338178873 444550157 /nfs/dbraw/zinc/55/01/57/444550157.db2.gz IRNIZAJJAPXCNE-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338178197 444550651 /nfs/dbraw/zinc/55/06/51/444550651.db2.gz FXSDEKDTRTVWRU-JKSUJKDBSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338178197 444550656 /nfs/dbraw/zinc/55/06/56/444550656.db2.gz FXSDEKDTRTVWRU-JKSUJKDBSA-N 2 2 337.508 1.866 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1CCCC1 ZINC000341003770 444626813 /nfs/dbraw/zinc/62/68/13/444626813.db2.gz RVESBUIAFMRWKR-UHFFFAOYSA-N 2 2 331.526 1.464 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1CCCC1 ZINC000341003770 444626819 /nfs/dbraw/zinc/62/68/19/444626819.db2.gz RVESBUIAFMRWKR-UHFFFAOYSA-N 2 2 331.526 1.464 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@@H]21 ZINC000329559759 444629795 /nfs/dbraw/zinc/62/97/95/444629795.db2.gz RARZMJMPFSAWLR-DLBZAZTESA-N 2 2 326.400 1.086 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@@H]21 ZINC000329559759 444629797 /nfs/dbraw/zinc/62/97/97/444629797.db2.gz RARZMJMPFSAWLR-DLBZAZTESA-N 2 2 326.400 1.086 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@H](C)C2)CC1 ZINC000338252136 444589937 /nfs/dbraw/zinc/58/99/37/444589937.db2.gz GKURDKLFZASGNO-MSOLQXFVSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@H](C)C2)CC1 ZINC000338252136 444589939 /nfs/dbraw/zinc/58/99/39/444589939.db2.gz GKURDKLFZASGNO-MSOLQXFVSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3ncccn3)C2)CC[N@@H+]1C ZINC000332962652 444612899 /nfs/dbraw/zinc/61/28/99/444612899.db2.gz GULKUUBMHLOFLF-OWCLPIDISA-N 2 2 346.479 1.175 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3ncccn3)C2)CC[N@H+]1C ZINC000332962652 444612903 /nfs/dbraw/zinc/61/29/03/444612903.db2.gz GULKUUBMHLOFLF-OWCLPIDISA-N 2 2 346.479 1.175 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)CC[NH+]1C ZINC000332962652 444612907 /nfs/dbraw/zinc/61/29/07/444612907.db2.gz GULKUUBMHLOFLF-OWCLPIDISA-N 2 2 346.479 1.175 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)CC[NH+]1C ZINC000332962652 444612910 /nfs/dbraw/zinc/61/29/10/444612910.db2.gz GULKUUBMHLOFLF-OWCLPIDISA-N 2 2 346.479 1.175 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnc3ccccn23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343983607 444709738 /nfs/dbraw/zinc/70/97/38/444709738.db2.gz OAOPVWWYXZGJJI-FUHWJXTLSA-N 2 2 327.476 1.792 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnc3ccccn23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343983607 444709741 /nfs/dbraw/zinc/70/97/41/444709741.db2.gz OAOPVWWYXZGJJI-FUHWJXTLSA-N 2 2 327.476 1.792 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333916151 444717515 /nfs/dbraw/zinc/71/75/15/444717515.db2.gz NBWMMONEMSRYLV-SFHVURJKSA-N 2 2 327.432 1.662 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333923242 444719581 /nfs/dbraw/zinc/71/95/81/444719581.db2.gz SASCZLPTXRBSAS-YESZJQIVSA-N 2 2 343.475 1.869 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1(C)C ZINC000333930080 444721475 /nfs/dbraw/zinc/72/14/75/444721475.db2.gz YTXOFBVRXCAJTL-TUVASFSCSA-N 2 2 331.464 1.901 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CCCCC1 ZINC000341255301 444750277 /nfs/dbraw/zinc/75/02/77/444750277.db2.gz BYNHFULGRYZJIE-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CCCCC1 ZINC000341255301 444750279 /nfs/dbraw/zinc/75/02/79/444750279.db2.gz BYNHFULGRYZJIE-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000341275868 444757491 /nfs/dbraw/zinc/75/74/91/444757491.db2.gz FTIXNADGAKWBQF-UHFFFAOYSA-N 2 2 330.314 1.450 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)C[C@H]3CCC[N@H+](C)C3)nc[nH+]2)C1 ZINC000334043342 444758369 /nfs/dbraw/zinc/75/83/69/444758369.db2.gz PDFIPFITXZQTLH-HRCADAONSA-N 2 2 333.480 1.462 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)C[C@H]3CCC[N@@H+](C)C3)nc[nH+]2)C1 ZINC000334043342 444758373 /nfs/dbraw/zinc/75/83/73/444758373.db2.gz PDFIPFITXZQTLH-HRCADAONSA-N 2 2 333.480 1.462 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)C[C@H]3CCC[N@H+](C)C3)[nH+]cn2)C1 ZINC000334043342 444758377 /nfs/dbraw/zinc/75/83/77/444758377.db2.gz PDFIPFITXZQTLH-HRCADAONSA-N 2 2 333.480 1.462 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)C[C@H]3CCC[N@@H+](C)C3)[nH+]cn2)C1 ZINC000334043342 444758380 /nfs/dbraw/zinc/75/83/80/444758380.db2.gz PDFIPFITXZQTLH-HRCADAONSA-N 2 2 333.480 1.462 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1nnnn1C1CC1 ZINC000344132058 444798475 /nfs/dbraw/zinc/79/84/75/444798475.db2.gz OIJTYFKRBXNQRB-HNNXBMFYSA-N 2 2 335.500 1.419 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1nnnn1C1CC1 ZINC000344132058 444798480 /nfs/dbraw/zinc/79/84/80/444798480.db2.gz OIJTYFKRBXNQRB-HNNXBMFYSA-N 2 2 335.500 1.419 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccncc1F ZINC000338676973 444803397 /nfs/dbraw/zinc/80/33/97/444803397.db2.gz SOBYZQYYWKXTHZ-CYBMUJFWSA-N 2 2 337.443 1.607 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[NH+](C)C ZINC000342693143 444817260 /nfs/dbraw/zinc/81/72/60/444817260.db2.gz MICJRHVJOJNUAC-KBPBESRZSA-N 2 2 341.402 1.659 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3(O)CC[NH+](C)CC3)sc2C1 ZINC000344214184 444843726 /nfs/dbraw/zinc/84/37/26/444843726.db2.gz REABEHYNVMTZCI-UHFFFAOYSA-N 3 2 338.521 1.456 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3(O)CC[NH+](C)CC3)sc2C1 ZINC000344214184 444843729 /nfs/dbraw/zinc/84/37/29/444843729.db2.gz REABEHYNVMTZCI-UHFFFAOYSA-N 3 2 338.521 1.456 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CC[NH2+]CC1(F)F)C2 ZINC000342763672 444853838 /nfs/dbraw/zinc/85/38/38/444853838.db2.gz DAUFGKGGJDPSRO-NWDGAFQWSA-N 2 2 340.418 1.856 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C(C)C)C2)CC1 ZINC000342772745 444860116 /nfs/dbraw/zinc/86/01/16/444860116.db2.gz BGFCJRQEDRDOLT-OAHLLOKOSA-N 2 2 325.453 1.003 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000342779718 444863985 /nfs/dbraw/zinc/86/39/85/444863985.db2.gz KKSFBDJMQMWOSF-OAHLLOKOSA-N 2 2 325.453 1.003 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000338888648 444914223 /nfs/dbraw/zinc/91/42/23/444914223.db2.gz UJWHKUHKAZXMML-UHFFFAOYSA-N 2 2 349.479 1.008 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000342984888 444989283 /nfs/dbraw/zinc/98/92/83/444989283.db2.gz SDJIJWDLETWSNZ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000342984888 444989288 /nfs/dbraw/zinc/98/92/88/444989288.db2.gz SDJIJWDLETWSNZ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000342984888 444989294 /nfs/dbraw/zinc/98/92/94/444989294.db2.gz SDJIJWDLETWSNZ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000342984888 444989298 /nfs/dbraw/zinc/98/92/98/444989298.db2.gz SDJIJWDLETWSNZ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)CCCC[NH+]1CCOCC1)c1ccsc1 ZINC000339031751 444998412 /nfs/dbraw/zinc/99/84/12/444998412.db2.gz FIULBQTUDJXMBJ-INIZCTEOSA-N 2 2 339.505 1.970 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000337276838 445012609 /nfs/dbraw/zinc/01/26/09/445012609.db2.gz GNOQZQPJXAJZFK-OAHLLOKOSA-N 2 2 334.489 1.476 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000337276838 445012614 /nfs/dbraw/zinc/01/26/14/445012614.db2.gz GNOQZQPJXAJZFK-OAHLLOKOSA-N 2 2 334.489 1.476 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337276439 445012815 /nfs/dbraw/zinc/01/28/15/445012815.db2.gz QWWYFSIUXHTHCN-INIZCTEOSA-N 2 2 339.480 1.348 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337276439 445012818 /nfs/dbraw/zinc/01/28/18/445012818.db2.gz QWWYFSIUXHTHCN-INIZCTEOSA-N 2 2 339.480 1.348 20 0 EDADLP C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)N1CC[NH+](C)CC1 ZINC000341901789 445062100 /nfs/dbraw/zinc/06/21/00/445062100.db2.gz NJLVBPIVVSEYBT-QGZVFWFLSA-N 2 2 347.507 1.538 20 0 EDADLP OCCOC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341917285 445071003 /nfs/dbraw/zinc/07/10/03/445071003.db2.gz ZALHKDSWKYHMJF-HXUWFJFHSA-N 2 2 348.487 1.751 20 0 EDADLP OCCOC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341917285 445071007 /nfs/dbraw/zinc/07/10/07/445071007.db2.gz ZALHKDSWKYHMJF-HXUWFJFHSA-N 2 2 348.487 1.751 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000337344895 445040628 /nfs/dbraw/zinc/04/06/28/445040628.db2.gz ZJPFOCSENGAXIU-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)C2=O)cn1 ZINC000339433887 445138979 /nfs/dbraw/zinc/13/89/79/445138979.db2.gz RMSVBMKXTBVIPI-AEFFLSMTSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)C2=O)cn1 ZINC000339433887 445138982 /nfs/dbraw/zinc/13/89/82/445138982.db2.gz RMSVBMKXTBVIPI-AEFFLSMTSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)C2=O)cn1 ZINC000339433887 445138985 /nfs/dbraw/zinc/13/89/85/445138985.db2.gz RMSVBMKXTBVIPI-AEFFLSMTSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)C2=O)cn1 ZINC000339433887 445138988 /nfs/dbraw/zinc/13/89/88/445138988.db2.gz RMSVBMKXTBVIPI-AEFFLSMTSA-N 2 2 331.464 1.333 20 0 EDADLP OCCOC1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCOCC1 ZINC000337533607 445124070 /nfs/dbraw/zinc/12/40/70/445124070.db2.gz FBRHJTUEWWCEFP-UHFFFAOYSA-N 2 2 349.475 1.194 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)[C@H]1CCSC1 ZINC000337574475 445145881 /nfs/dbraw/zinc/14/58/81/445145881.db2.gz FHVZMJYUTLQZBV-HOTGVXAUSA-N 2 2 337.464 1.736 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)[C@H]1CCSC1 ZINC000337574475 445145884 /nfs/dbraw/zinc/14/58/84/445145884.db2.gz FHVZMJYUTLQZBV-HOTGVXAUSA-N 2 2 337.464 1.736 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000343245770 445158404 /nfs/dbraw/zinc/15/84/04/445158404.db2.gz CMWSIEXQTNHCOP-CVEARBPZSA-N 2 2 331.464 1.766 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@H+](C)Cc1ccccc1 ZINC000343346381 445206461 /nfs/dbraw/zinc/20/64/61/445206461.db2.gz HCVVKMXIRXKSCU-RTBURBONSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000343346381 445206462 /nfs/dbraw/zinc/20/64/62/445206462.db2.gz HCVVKMXIRXKSCU-RTBURBONSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343346381 445206463 /nfs/dbraw/zinc/20/64/63/445206463.db2.gz HCVVKMXIRXKSCU-RTBURBONSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343346381 445206464 /nfs/dbraw/zinc/20/64/64/445206464.db2.gz HCVVKMXIRXKSCU-RTBURBONSA-N 2 2 345.487 1.876 20 0 EDADLP COCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000343393466 445214750 /nfs/dbraw/zinc/21/47/50/445214750.db2.gz WOOYOCYYGSNOQM-SJLPKXTDSA-N 2 2 346.479 1.436 20 0 EDADLP COCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000343393466 445214751 /nfs/dbraw/zinc/21/47/51/445214751.db2.gz WOOYOCYYGSNOQM-SJLPKXTDSA-N 2 2 346.479 1.436 20 0 EDADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3CC[NH2+]CC3(F)F)cc2)[nH]1 ZINC000343432816 445221951 /nfs/dbraw/zinc/22/19/51/445221951.db2.gz IMLWBROGMCCCCO-LLVKDONJSA-N 2 2 336.346 1.114 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000343434407 445222172 /nfs/dbraw/zinc/22/21/72/445222172.db2.gz ANGUDCKILJDWFJ-HNNXBMFYSA-N 2 2 338.402 1.407 20 0 EDADLP C[C@@H]1CN(CC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)CCO1 ZINC000346938815 445228200 /nfs/dbraw/zinc/22/82/00/445228200.db2.gz UGTWYKIHDQMHCG-AOIWGVFYSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)CCO1 ZINC000346938815 445228202 /nfs/dbraw/zinc/22/82/02/445228202.db2.gz UGTWYKIHDQMHCG-AOIWGVFYSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)CCO1 ZINC000346938815 445228203 /nfs/dbraw/zinc/22/82/03/445228203.db2.gz UGTWYKIHDQMHCG-AOIWGVFYSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)CCO1 ZINC000346938815 445228205 /nfs/dbraw/zinc/22/82/05/445228205.db2.gz UGTWYKIHDQMHCG-AOIWGVFYSA-N 2 2 349.523 1.456 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)C[C@H](O)C(F)(F)F)CCC[NH+]1C ZINC000346932174 445228244 /nfs/dbraw/zinc/22/82/44/445228244.db2.gz PXDOEOBYRMTDLG-UBHSHLNASA-N 2 2 334.386 1.658 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)C[C@H](O)C(F)(F)F)CCC[N@@H+]1C ZINC000346932174 445228245 /nfs/dbraw/zinc/22/82/45/445228245.db2.gz PXDOEOBYRMTDLG-UBHSHLNASA-N 2 2 334.386 1.658 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)C[C@H](O)C(F)(F)F)CCC[N@H+]1C ZINC000346932174 445228247 /nfs/dbraw/zinc/22/82/47/445228247.db2.gz PXDOEOBYRMTDLG-UBHSHLNASA-N 2 2 334.386 1.658 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343532691 445239854 /nfs/dbraw/zinc/23/98/54/445239854.db2.gz GHRKBALAKFJYBV-ZIAGYGMSSA-N 2 2 327.469 1.249 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343532691 445239855 /nfs/dbraw/zinc/23/98/55/445239855.db2.gz GHRKBALAKFJYBV-ZIAGYGMSSA-N 2 2 327.469 1.249 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343532691 445239856 /nfs/dbraw/zinc/23/98/56/445239856.db2.gz GHRKBALAKFJYBV-ZIAGYGMSSA-N 2 2 327.469 1.249 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@H]1C ZINC000343532691 445239857 /nfs/dbraw/zinc/23/98/57/445239857.db2.gz GHRKBALAKFJYBV-ZIAGYGMSSA-N 2 2 327.469 1.249 20 0 EDADLP Cc1noc(C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c2ccccc2)n1 ZINC000351637496 445252015 /nfs/dbraw/zinc/25/20/15/445252015.db2.gz VPNNXAPSZVPUHC-DLBZAZTESA-N 2 2 330.432 1.707 20 0 EDADLP Cc1noc(C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)c2ccccc2)n1 ZINC000351637496 445252018 /nfs/dbraw/zinc/25/20/18/445252018.db2.gz VPNNXAPSZVPUHC-DLBZAZTESA-N 2 2 330.432 1.707 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2ncc[nH]2)cc[nH+]1 ZINC000348180010 445306564 /nfs/dbraw/zinc/30/65/64/445306564.db2.gz NTGQHFIFZFUXGV-CHWSQXEVSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)Cc2ncc[nH]2)cc[nH+]1 ZINC000348180010 445306566 /nfs/dbraw/zinc/30/65/66/445306566.db2.gz NTGQHFIFZFUXGV-CHWSQXEVSA-N 2 2 333.415 1.315 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000351773233 445316542 /nfs/dbraw/zinc/31/65/42/445316542.db2.gz JQQZCHKFGWJKOS-HOTGVXAUSA-N 2 2 337.468 1.414 20 0 EDADLP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(F)cn1 ZINC000348120840 445278351 /nfs/dbraw/zinc/27/83/51/445278351.db2.gz ITHUTGCBUZCICP-UONOGXRCSA-N 2 2 325.428 1.973 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnn(CC(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000351700145 445278368 /nfs/dbraw/zinc/27/83/68/445278368.db2.gz JEQWBUPGNMZSHL-ZBFHGGJFSA-N 2 2 341.450 1.606 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000351700145 445278369 /nfs/dbraw/zinc/27/83/69/445278369.db2.gz JEQWBUPGNMZSHL-ZBFHGGJFSA-N 2 2 341.450 1.606 20 0 EDADLP COc1cccc(C[N@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000348120910 445279103 /nfs/dbraw/zinc/27/91/03/445279103.db2.gz ONSPLDLTVUUULY-GDBMZVCRSA-N 2 2 347.438 1.868 20 0 EDADLP COc1cccc(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000348120910 445279106 /nfs/dbraw/zinc/27/91/06/445279106.db2.gz ONSPLDLTVUUULY-GDBMZVCRSA-N 2 2 347.438 1.868 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[C@H]1CCO)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000348159319 445293797 /nfs/dbraw/zinc/29/37/97/445293797.db2.gz MRZXQHZXOIKPFY-ULQDDVLXSA-N 2 2 346.475 1.259 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2ccn(C)n2)cc[nH+]1 ZINC000348165762 445298424 /nfs/dbraw/zinc/29/84/24/445298424.db2.gz IVMNZJBDSXXFIY-UKRRQHHQSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)Cc2ccn(C)n2)cc[nH+]1 ZINC000348165762 445298428 /nfs/dbraw/zinc/29/84/28/445298428.db2.gz IVMNZJBDSXXFIY-UKRRQHHQSA-N 2 2 347.442 1.325 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354581371 445302462 /nfs/dbraw/zinc/30/24/62/445302462.db2.gz XVLDXWLMDBEURC-KRWDZBQOSA-N 2 2 344.459 1.584 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCCOc2ccccc2)C1 ZINC000348263867 445332061 /nfs/dbraw/zinc/33/20/61/445332061.db2.gz BETKTPYURMAFON-GOSISDBHSA-N 2 2 345.487 1.845 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCCOc2ccccc2)C1 ZINC000348263867 445332062 /nfs/dbraw/zinc/33/20/62/445332062.db2.gz BETKTPYURMAFON-GOSISDBHSA-N 2 2 345.487 1.845 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000348263867 445332064 /nfs/dbraw/zinc/33/20/64/445332064.db2.gz BETKTPYURMAFON-GOSISDBHSA-N 2 2 345.487 1.845 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000348263867 445332065 /nfs/dbraw/zinc/33/20/65/445332065.db2.gz BETKTPYURMAFON-GOSISDBHSA-N 2 2 345.487 1.845 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000351850191 445343031 /nfs/dbraw/zinc/34/30/31/445343031.db2.gz IKLLAZAMYDPOEG-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000351850191 445343034 /nfs/dbraw/zinc/34/30/34/445343034.db2.gz IKLLAZAMYDPOEG-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]1CN(c2ncnc3nc(N)ccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354736533 445357819 /nfs/dbraw/zinc/35/78/19/445357819.db2.gz SNJWKSKNNFXBND-ZDUSSCGKSA-N 2 2 341.463 1.212 20 0 EDADLP C[C@H]1CN(c2ncnc3nc(N)ccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354736533 445357823 /nfs/dbraw/zinc/35/78/23/445357823.db2.gz SNJWKSKNNFXBND-ZDUSSCGKSA-N 2 2 341.463 1.212 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357079067 445413005 /nfs/dbraw/zinc/41/30/05/445413005.db2.gz CKNMRIWWWLHHKK-RBUKOAKNSA-N 2 2 345.487 1.769 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357079067 445413010 /nfs/dbraw/zinc/41/30/10/445413010.db2.gz CKNMRIWWWLHHKK-RBUKOAKNSA-N 2 2 345.487 1.769 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357082356 445414769 /nfs/dbraw/zinc/41/47/69/445414769.db2.gz NZLFIZSEEIUGEO-HZPDHXFCSA-N 2 2 329.444 1.516 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357082356 445414774 /nfs/dbraw/zinc/41/47/74/445414774.db2.gz NZLFIZSEEIUGEO-HZPDHXFCSA-N 2 2 329.444 1.516 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(Br)o2)C1 ZINC000359767395 445416736 /nfs/dbraw/zinc/41/67/36/445416736.db2.gz OTSFXTPWBLGLQM-NSHDSACASA-N 2 2 344.253 1.719 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(Br)o2)C1 ZINC000359767395 445416738 /nfs/dbraw/zinc/41/67/38/445416738.db2.gz OTSFXTPWBLGLQM-NSHDSACASA-N 2 2 344.253 1.719 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357087888 445419531 /nfs/dbraw/zinc/41/95/31/445419531.db2.gz SMEFJCJXYFMRRT-IMJJTQAJSA-N 2 2 347.459 1.250 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357087888 445419536 /nfs/dbraw/zinc/41/95/36/445419536.db2.gz SMEFJCJXYFMRRT-IMJJTQAJSA-N 2 2 347.459 1.250 20 0 EDADLP COCCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000362530683 445426569 /nfs/dbraw/zinc/42/65/69/445426569.db2.gz XUMINEDESIOYBD-RTBURBONSA-N 2 2 349.475 1.456 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000348877864 445427016 /nfs/dbraw/zinc/42/70/16/445427016.db2.gz HPDRUYZSJUNQGK-CVEARBPZSA-N 2 2 339.867 1.780 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000348877864 445427019 /nfs/dbraw/zinc/42/70/19/445427019.db2.gz HPDRUYZSJUNQGK-CVEARBPZSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000362444659 445385595 /nfs/dbraw/zinc/38/55/95/445385595.db2.gz HTDUDTAVUYJMNX-DOTOQJQBSA-N 2 2 341.459 1.176 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000362444659 445385600 /nfs/dbraw/zinc/38/56/00/445385600.db2.gz HTDUDTAVUYJMNX-DOTOQJQBSA-N 2 2 341.459 1.176 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357110352 445434526 /nfs/dbraw/zinc/43/45/26/445434526.db2.gz XCAXRRFXSBGWPN-SOUVJXGZSA-N 2 2 347.459 1.422 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357110352 445434528 /nfs/dbraw/zinc/43/45/28/445434528.db2.gz XCAXRRFXSBGWPN-SOUVJXGZSA-N 2 2 347.459 1.422 20 0 EDADLP CCc1cnc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000348924285 445442227 /nfs/dbraw/zinc/44/22/27/445442227.db2.gz WDVJSVSHRDLVNB-UHFFFAOYSA-N 2 2 336.505 1.692 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NCCn2cc[nH+]c2)cc[nH+]1 ZINC000362569057 445444063 /nfs/dbraw/zinc/44/40/63/445444063.db2.gz MSVTUGZHNUVNES-HOCLYGCPSA-N 2 2 330.436 2.401 20 0 EDADLP OCc1cn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc3[nH+]ccn32)nn1 ZINC000349035796 445483579 /nfs/dbraw/zinc/48/35/79/445483579.db2.gz KHBBCPNTLCGGJJ-HZPDHXFCSA-N 2 2 326.404 1.692 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348972371 445461777 /nfs/dbraw/zinc/46/17/77/445461777.db2.gz SHUDOSRHWMMPKW-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348972371 445461783 /nfs/dbraw/zinc/46/17/83/445461783.db2.gz SHUDOSRHWMMPKW-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348972371 445461786 /nfs/dbraw/zinc/46/17/86/445461786.db2.gz SHUDOSRHWMMPKW-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348972371 445461789 /nfs/dbraw/zinc/46/17/89/445461789.db2.gz SHUDOSRHWMMPKW-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000348983865 445465589 /nfs/dbraw/zinc/46/55/89/445465589.db2.gz ZSIDLPMANHLJFJ-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000348983865 445465590 /nfs/dbraw/zinc/46/55/90/445465590.db2.gz ZSIDLPMANHLJFJ-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000362714679 445515037 /nfs/dbraw/zinc/51/50/37/445515037.db2.gz FXYKVMQHORLVIB-CVEARBPZSA-N 2 2 349.479 1.105 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000362714679 445515040 /nfs/dbraw/zinc/51/50/40/445515040.db2.gz FXYKVMQHORLVIB-CVEARBPZSA-N 2 2 349.479 1.105 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000362753006 445532657 /nfs/dbraw/zinc/53/26/57/445532657.db2.gz LIBGSMIGQYVCDA-MRXNPFEDSA-N 2 2 327.432 1.884 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+](Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000352090557 445485743 /nfs/dbraw/zinc/48/57/43/445485743.db2.gz ACUVUEPCXUBLIW-IBGZPJMESA-N 2 2 341.459 1.687 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000352090557 445485745 /nfs/dbraw/zinc/48/57/45/445485745.db2.gz ACUVUEPCXUBLIW-IBGZPJMESA-N 2 2 341.459 1.687 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000352090557 445485748 /nfs/dbraw/zinc/48/57/48/445485748.db2.gz ACUVUEPCXUBLIW-IBGZPJMESA-N 2 2 341.459 1.687 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000352090557 445485751 /nfs/dbraw/zinc/48/57/51/445485751.db2.gz ACUVUEPCXUBLIW-IBGZPJMESA-N 2 2 341.459 1.687 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1 ZINC000352092006 445486814 /nfs/dbraw/zinc/48/68/14/445486814.db2.gz IVLLKFSQNZRASZ-MRXNPFEDSA-N 2 2 339.430 1.932 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1 ZINC000352092006 445486817 /nfs/dbraw/zinc/48/68/17/445486817.db2.gz IVLLKFSQNZRASZ-MRXNPFEDSA-N 2 2 339.430 1.932 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1 ZINC000352092006 445486819 /nfs/dbraw/zinc/48/68/19/445486819.db2.gz IVLLKFSQNZRASZ-MRXNPFEDSA-N 2 2 339.430 1.932 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1 ZINC000352092006 445486822 /nfs/dbraw/zinc/48/68/22/445486822.db2.gz IVLLKFSQNZRASZ-MRXNPFEDSA-N 2 2 339.430 1.932 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000359939914 445497795 /nfs/dbraw/zinc/49/77/95/445497795.db2.gz DTQZCKVBASMMOG-APWZRJJASA-N 2 2 344.503 1.504 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000359939914 445497800 /nfs/dbraw/zinc/49/78/00/445497800.db2.gz DTQZCKVBASMMOG-APWZRJJASA-N 2 2 344.503 1.504 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000357248652 445506414 /nfs/dbraw/zinc/50/64/14/445506414.db2.gz RLZBXNNJJUMCMV-CQSZACIVSA-N 2 2 337.468 1.002 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000356047071 445588935 /nfs/dbraw/zinc/58/89/35/445588935.db2.gz UFHXEAMVPYUCHJ-UHFFFAOYSA-N 2 2 344.459 1.650 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000356047071 445588937 /nfs/dbraw/zinc/58/89/37/445588937.db2.gz UFHXEAMVPYUCHJ-UHFFFAOYSA-N 2 2 344.459 1.650 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000362825247 445566837 /nfs/dbraw/zinc/56/68/37/445566837.db2.gz GDJWYRWMUXVFII-INIZCTEOSA-N 2 2 335.423 1.491 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000362825247 445566841 /nfs/dbraw/zinc/56/68/41/445566841.db2.gz GDJWYRWMUXVFII-INIZCTEOSA-N 2 2 335.423 1.491 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000362778694 445545494 /nfs/dbraw/zinc/54/54/94/445545494.db2.gz BKZWBDLLRCCDTN-BHIYHBOVSA-N 2 2 345.487 1.244 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000362778694 445545499 /nfs/dbraw/zinc/54/54/99/445545499.db2.gz BKZWBDLLRCCDTN-BHIYHBOVSA-N 2 2 345.487 1.244 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000360165233 445606064 /nfs/dbraw/zinc/60/60/64/445606064.db2.gz KMRRSEKYUIFPIE-UHFFFAOYSA-N 2 2 349.523 1.777 20 0 EDADLP Cc1ccc(CCC[NH+]2CCN(c3ncccc3C(N)=O)CC2)c[nH+]1 ZINC000353458063 445610851 /nfs/dbraw/zinc/61/08/51/445610851.db2.gz IQJZYGFRXRLBKW-UHFFFAOYSA-N 2 2 339.443 1.639 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CC2(O)CCC2)CC1 ZINC000353492206 445627067 /nfs/dbraw/zinc/62/70/67/445627067.db2.gz UESYZZRCCRXIPE-KRWDZBQOSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC2(O)CCC2)CC1 ZINC000353492206 445627069 /nfs/dbraw/zinc/62/70/69/445627069.db2.gz UESYZZRCCRXIPE-KRWDZBQOSA-N 2 2 345.487 1.739 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000356126113 445635262 /nfs/dbraw/zinc/63/52/62/445635262.db2.gz SUDTUFKTQYSKDX-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000356126113 445635265 /nfs/dbraw/zinc/63/52/65/445635265.db2.gz SUDTUFKTQYSKDX-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1(C(=O)OC)CCC1 ZINC000353539167 445648644 /nfs/dbraw/zinc/64/86/44/445648644.db2.gz WWALLCGBRSVGMD-ZIAGYGMSSA-N 2 2 325.453 1.038 20 0 EDADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1(C(=O)OC)CCC1 ZINC000353539167 445648649 /nfs/dbraw/zinc/64/86/49/445648649.db2.gz WWALLCGBRSVGMD-ZIAGYGMSSA-N 2 2 325.453 1.038 20 0 EDADLP COc1c[nH+]ccc1N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000360243294 445652128 /nfs/dbraw/zinc/65/21/28/445652128.db2.gz VJMYDCQUJIILEU-UHFFFAOYSA-N 2 2 340.431 1.807 20 0 EDADLP COc1c[nH+]ccc1N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000360243294 445652132 /nfs/dbraw/zinc/65/21/32/445652132.db2.gz VJMYDCQUJIILEU-UHFFFAOYSA-N 2 2 340.431 1.807 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000356151765 445650026 /nfs/dbraw/zinc/65/00/26/445650026.db2.gz KRLJSFSLPVWXLY-GFCCVEGCSA-N 2 2 341.419 1.485 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000360262753 445665207 /nfs/dbraw/zinc/66/52/07/445665207.db2.gz UREBUZRYYKRUIN-MRXNPFEDSA-N 2 2 328.501 1.471 20 0 EDADLP CCc1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)C2)no1 ZINC000363107251 445680826 /nfs/dbraw/zinc/68/08/26/445680826.db2.gz DQTALJHZFPPYER-LSDHHAIUSA-N 2 2 349.479 1.364 20 0 EDADLP CCc1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)C2)no1 ZINC000363107251 445680831 /nfs/dbraw/zinc/68/08/31/445680831.db2.gz DQTALJHZFPPYER-LSDHHAIUSA-N 2 2 349.479 1.364 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000356233693 445690499 /nfs/dbraw/zinc/69/04/99/445690499.db2.gz HZAUZFXMXWBJBE-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000356233693 445690503 /nfs/dbraw/zinc/69/05/03/445690503.db2.gz HZAUZFXMXWBJBE-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000356233693 445690507 /nfs/dbraw/zinc/69/05/07/445690507.db2.gz HZAUZFXMXWBJBE-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000356233693 445690511 /nfs/dbraw/zinc/69/05/11/445690511.db2.gz HZAUZFXMXWBJBE-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2CCOC[C@H]2C)c1 ZINC000356243783 445695056 /nfs/dbraw/zinc/69/50/56/445695056.db2.gz MCDCUOJHMJXCIJ-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2CCOC[C@H]2C)c1 ZINC000356243783 445695060 /nfs/dbraw/zinc/69/50/60/445695060.db2.gz MCDCUOJHMJXCIJ-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)c1 ZINC000356243783 445695064 /nfs/dbraw/zinc/69/50/64/445695064.db2.gz MCDCUOJHMJXCIJ-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+]2CCOC[C@H]2C)c1 ZINC000356243783 445695068 /nfs/dbraw/zinc/69/50/68/445695068.db2.gz MCDCUOJHMJXCIJ-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP NC(=O)C[C@@H]([NH3+])C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000360341048 445701172 /nfs/dbraw/zinc/70/11/72/445701172.db2.gz CDHUXFFHFOZVOC-CYBMUJFWSA-N 2 2 327.388 1.028 20 0 EDADLP CCOC(=O)[C@@H](C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000353676490 445702542 /nfs/dbraw/zinc/70/25/42/445702542.db2.gz NXGLRYXEXSDUFM-OAHLLOKOSA-N 2 2 348.447 1.004 20 0 EDADLP CCOC(=O)[C@@H](C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000353676490 445702547 /nfs/dbraw/zinc/70/25/47/445702547.db2.gz NXGLRYXEXSDUFM-OAHLLOKOSA-N 2 2 348.447 1.004 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCOCC1 ZINC000356396389 445770903 /nfs/dbraw/zinc/77/09/03/445770903.db2.gz UNBUTAFBZILSNU-KURKYZTESA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCOCC1 ZINC000356396389 445770904 /nfs/dbraw/zinc/77/09/04/445770904.db2.gz UNBUTAFBZILSNU-KURKYZTESA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cccn2c(C[NH2+][C@@H]3CCCc4c3cnn4CCO)c[nH+]c12 ZINC000363264924 445746349 /nfs/dbraw/zinc/74/63/49/445746349.db2.gz USHOPYFDERZPAO-MRXNPFEDSA-N 2 2 325.416 1.999 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccsc1 ZINC000350033877 445753556 /nfs/dbraw/zinc/75/35/56/445753556.db2.gz OBKAGVGLTBDRGB-RBSFLKMASA-N 2 2 338.477 1.075 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccsc1 ZINC000350033877 445753560 /nfs/dbraw/zinc/75/35/60/445753560.db2.gz OBKAGVGLTBDRGB-RBSFLKMASA-N 2 2 338.477 1.075 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCCn3cc[nH+]c32)C1 ZINC000363317007 445763995 /nfs/dbraw/zinc/76/39/95/445763995.db2.gz SIQDSKNOTCQXCA-HOTGVXAUSA-N 2 2 334.464 1.720 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000361505088 445792793 /nfs/dbraw/zinc/79/27/93/445792793.db2.gz JOWOWOFTOWYEPO-KRWDZBQOSA-N 2 2 347.503 1.767 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000361505088 445792797 /nfs/dbraw/zinc/79/27/97/445792797.db2.gz JOWOWOFTOWYEPO-KRWDZBQOSA-N 2 2 347.503 1.767 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000350288018 445806497 /nfs/dbraw/zinc/80/64/97/445806497.db2.gz NRCHZGUKDBSHCO-RBSFLKMASA-N 2 2 349.479 1.445 20 0 EDADLP CNC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000361531180 445806713 /nfs/dbraw/zinc/80/67/13/445806713.db2.gz PINXCDNDTJPLDQ-UHFFFAOYSA-N 2 2 340.427 1.772 20 0 EDADLP COCC1(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]CC1 ZINC000358845402 445806952 /nfs/dbraw/zinc/80/69/52/445806952.db2.gz HDJLPSZENBVOQF-CQSZACIVSA-N 2 2 348.491 1.628 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)cn1 ZINC000361632447 445857845 /nfs/dbraw/zinc/85/78/45/445857845.db2.gz RCOFFXLESCHGNL-UHFFFAOYSA-N 2 2 333.480 1.364 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCCCCF)([NH+]2CCCCC2)CC1 ZINC000361644766 445861829 /nfs/dbraw/zinc/86/18/29/445861829.db2.gz NPGRWHLRFSYRSR-UHFFFAOYSA-N 2 2 328.476 1.986 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358959126 445865060 /nfs/dbraw/zinc/86/50/60/445865060.db2.gz QAGUNWFRZLKLAE-OAHLLOKOSA-N 3 2 327.517 1.040 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358959126 445865063 /nfs/dbraw/zinc/86/50/63/445865063.db2.gz QAGUNWFRZLKLAE-OAHLLOKOSA-N 3 2 327.517 1.040 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCOCC1 ZINC000361666511 445869213 /nfs/dbraw/zinc/86/92/13/445869213.db2.gz HOPQIUQAPMTUBV-SJORKVTESA-N 2 2 336.480 1.164 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCOCC1 ZINC000361666511 445869218 /nfs/dbraw/zinc/86/92/18/445869218.db2.gz HOPQIUQAPMTUBV-SJORKVTESA-N 2 2 336.480 1.164 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000361778670 445936489 /nfs/dbraw/zinc/93/64/89/445936489.db2.gz BVWGLLSCONZAMW-JKSUJKDBSA-N 2 2 349.479 1.417 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000361778670 445936494 /nfs/dbraw/zinc/93/64/94/445936494.db2.gz BVWGLLSCONZAMW-JKSUJKDBSA-N 2 2 349.479 1.417 20 0 EDADLP CN(C)c1nc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc[nH+]1 ZINC000354090744 445895990 /nfs/dbraw/zinc/89/59/90/445895990.db2.gz CMDAVIDAVCADPJ-MRXNPFEDSA-N 2 2 327.432 2.028 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000582349523 325825945 /nfs/dbraw/zinc/82/59/45/325825945.db2.gz AGVZQCRXKVNYPZ-ROUUACIJSA-N 2 2 339.443 1.682 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000372989841 445964278 /nfs/dbraw/zinc/96/42/78/445964278.db2.gz MVLAFEQKLCBMLH-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000372989841 445964284 /nfs/dbraw/zinc/96/42/84/445964284.db2.gz MVLAFEQKLCBMLH-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4[nH+]ccn4c3)C2)CC1 ZINC000366030537 445971587 /nfs/dbraw/zinc/97/15/87/445971587.db2.gz BPFAYOWPRSNISK-KRWDZBQOSA-N 2 2 341.459 1.575 20 0 EDADLP C[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373010109 445973635 /nfs/dbraw/zinc/97/36/35/445973635.db2.gz BGPQXXNLXIKBIA-PXNSSMCTSA-N 2 2 344.455 1.651 20 0 EDADLP C[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000373010109 445973643 /nfs/dbraw/zinc/97/36/43/445973643.db2.gz BGPQXXNLXIKBIA-PXNSSMCTSA-N 2 2 344.455 1.651 20 0 EDADLP C[NH+](C[C@@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373010109 445973650 /nfs/dbraw/zinc/97/36/50/445973650.db2.gz BGPQXXNLXIKBIA-PXNSSMCTSA-N 2 2 344.455 1.651 20 0 EDADLP C[NH+](C[C@@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000373010109 445973658 /nfs/dbraw/zinc/97/36/58/445973658.db2.gz BGPQXXNLXIKBIA-PXNSSMCTSA-N 2 2 344.455 1.651 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000369129902 445944373 /nfs/dbraw/zinc/94/43/73/445944373.db2.gz IXFRKZDFLINBTG-SQNIBIBYSA-N 2 2 335.492 1.715 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000369129902 445944377 /nfs/dbraw/zinc/94/43/77/445944377.db2.gz IXFRKZDFLINBTG-SQNIBIBYSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000369129902 445944383 /nfs/dbraw/zinc/94/43/83/445944383.db2.gz IXFRKZDFLINBTG-SQNIBIBYSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000369129902 445944386 /nfs/dbraw/zinc/94/43/86/445944386.db2.gz IXFRKZDFLINBTG-SQNIBIBYSA-N 2 2 335.492 1.715 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)C2=O)n(C)n1 ZINC000365986771 445945606 /nfs/dbraw/zinc/94/56/06/445945606.db2.gz HAWPNBYQRNPLTJ-HUUCEWRRSA-N 2 2 342.447 1.225 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)C2=O)n(C)n1 ZINC000365986771 445945613 /nfs/dbraw/zinc/94/56/13/445945613.db2.gz HAWPNBYQRNPLTJ-HUUCEWRRSA-N 2 2 342.447 1.225 20 0 EDADLP COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000369265316 446030204 /nfs/dbraw/zinc/03/02/04/446030204.db2.gz FOPXWGSPMNYMCW-AWEZNQCLSA-N 2 2 347.459 1.602 20 0 EDADLP COc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000369265316 446030211 /nfs/dbraw/zinc/03/02/11/446030211.db2.gz FOPXWGSPMNYMCW-AWEZNQCLSA-N 2 2 347.459 1.602 20 0 EDADLP CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275435 446039606 /nfs/dbraw/zinc/03/96/06/446039606.db2.gz XOPLSADBABYXGO-AWEZNQCLSA-N 2 2 332.448 1.379 20 0 EDADLP CCOc1ncccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275435 446039612 /nfs/dbraw/zinc/03/96/12/446039612.db2.gz XOPLSADBABYXGO-AWEZNQCLSA-N 2 2 332.448 1.379 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCOCC(F)(F)F)C2)CC1 ZINC000369275562 446040323 /nfs/dbraw/zinc/04/03/23/446040323.db2.gz BVBGKIGIKNKOOS-GFCCVEGCSA-N 2 2 337.386 1.240 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCOCC(F)(F)F)C2)CC1 ZINC000369275562 446040325 /nfs/dbraw/zinc/04/03/25/446040325.db2.gz BVBGKIGIKNKOOS-GFCCVEGCSA-N 2 2 337.386 1.240 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(F)cc4[nH]cnc43)C2)CC1 ZINC000369274091 446040515 /nfs/dbraw/zinc/04/05/15/446040515.db2.gz MKGLTIPYKXTJTA-CYBMUJFWSA-N 2 2 345.422 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(F)cc4[nH]cnc43)C2)CC1 ZINC000369274091 446040519 /nfs/dbraw/zinc/04/05/19/446040519.db2.gz MKGLTIPYKXTJTA-CYBMUJFWSA-N 2 2 345.422 1.600 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(F)cc4nc[nH]c43)C2)CC1 ZINC000369274091 446040523 /nfs/dbraw/zinc/04/05/23/446040523.db2.gz MKGLTIPYKXTJTA-CYBMUJFWSA-N 2 2 345.422 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(F)cc4nc[nH]c43)C2)CC1 ZINC000369274091 446040528 /nfs/dbraw/zinc/04/05/28/446040528.db2.gz MKGLTIPYKXTJTA-CYBMUJFWSA-N 2 2 345.422 1.600 20 0 EDADLP Cc1ncc(/C=C/C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000369279509 446045051 /nfs/dbraw/zinc/04/50/51/446045051.db2.gz XNDYDXZTTQUQRC-RDFMZFSFSA-N 2 2 334.489 1.749 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)[N@@H+](C)C1 ZINC000583456294 326076888 /nfs/dbraw/zinc/07/68/88/326076888.db2.gz RNEXADJAURGSTK-IRXDYDNUSA-N 2 2 328.416 1.663 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000356836179 446057652 /nfs/dbraw/zinc/05/76/52/446057652.db2.gz HBWPEIJPTBZGPQ-ZWKOTPCHSA-N 3 2 332.492 1.998 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000354267371 446063116 /nfs/dbraw/zinc/06/31/16/446063116.db2.gz UKCRSPOEMKWOLE-OAHLLOKOSA-N 2 2 336.484 1.150 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000354267371 446063121 /nfs/dbraw/zinc/06/31/21/446063121.db2.gz UKCRSPOEMKWOLE-OAHLLOKOSA-N 2 2 336.484 1.150 20 0 EDADLP COc1ccnc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000584108276 326200595 /nfs/dbraw/zinc/20/05/95/326200595.db2.gz VSVNIYKCAMMCSL-KSSFIOAISA-N 2 2 326.400 1.831 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3OC(F)F)C[C@H]12 ZINC000351478061 446078397 /nfs/dbraw/zinc/07/83/97/446078397.db2.gz OQAPKOBDWRADBZ-GRYCIOLGSA-N 2 2 325.359 1.896 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3OC(F)F)C[C@H]12 ZINC000351478061 446078401 /nfs/dbraw/zinc/07/84/01/446078401.db2.gz OQAPKOBDWRADBZ-GRYCIOLGSA-N 2 2 325.359 1.896 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3OC(F)F)C[C@H]12 ZINC000351478071 446078435 /nfs/dbraw/zinc/07/84/35/446078435.db2.gz OQAPKOBDWRADBZ-SDDRHHMPSA-N 2 2 325.359 1.896 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3OC(F)F)C[C@H]12 ZINC000351478071 446078440 /nfs/dbraw/zinc/07/84/40/446078440.db2.gz OQAPKOBDWRADBZ-SDDRHHMPSA-N 2 2 325.359 1.896 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccco1 ZINC000366198315 446078481 /nfs/dbraw/zinc/07/84/81/446078481.db2.gz XKXMQDKZCWUTSM-LSDHHAIUSA-N 2 2 336.436 1.045 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccco1 ZINC000366198315 446078485 /nfs/dbraw/zinc/07/84/85/446078485.db2.gz XKXMQDKZCWUTSM-LSDHHAIUSA-N 2 2 336.436 1.045 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366212997 446085668 /nfs/dbraw/zinc/08/56/68/446085668.db2.gz XRPZPFCCFPGRIT-ROUUACIJSA-N 2 2 346.475 1.452 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000359265311 446102144 /nfs/dbraw/zinc/10/21/44/446102144.db2.gz FDSOKZGWLNMJER-HNNXBMFYSA-N 2 2 343.537 1.431 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000359265311 446102148 /nfs/dbraw/zinc/10/21/48/446102148.db2.gz FDSOKZGWLNMJER-HNNXBMFYSA-N 2 2 343.537 1.431 20 0 EDADLP Cc1c([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000365257937 446106910 /nfs/dbraw/zinc/10/69/10/446106910.db2.gz KWLGXVIFULTHIS-UKRRQHHQSA-N 2 2 348.495 1.257 20 0 EDADLP Cc1c([C@@H](C)NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000365257937 446106915 /nfs/dbraw/zinc/10/69/15/446106915.db2.gz KWLGXVIFULTHIS-UKRRQHHQSA-N 2 2 348.495 1.257 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369372574 446112027 /nfs/dbraw/zinc/11/20/27/446112027.db2.gz KBVUWCAHADJQTL-SOLBZPMBSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369372574 446112033 /nfs/dbraw/zinc/11/20/33/446112033.db2.gz KBVUWCAHADJQTL-SOLBZPMBSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372574 446112038 /nfs/dbraw/zinc/11/20/38/446112038.db2.gz KBVUWCAHADJQTL-SOLBZPMBSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372574 446112045 /nfs/dbraw/zinc/11/20/45/446112045.db2.gz KBVUWCAHADJQTL-SOLBZPMBSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359285232 446120210 /nfs/dbraw/zinc/12/02/10/446120210.db2.gz LZUKGMQHHQLRBZ-SDDRHHMPSA-N 2 2 338.249 1.927 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359285232 446120216 /nfs/dbraw/zinc/12/02/16/446120216.db2.gz LZUKGMQHHQLRBZ-SDDRHHMPSA-N 2 2 338.249 1.927 20 0 EDADLP CCC[N@@H+](C)CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000359338326 446158468 /nfs/dbraw/zinc/15/84/68/446158468.db2.gz ILPFSRWODQYJHR-UHFFFAOYSA-N 2 2 346.475 1.283 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000365353253 446164535 /nfs/dbraw/zinc/16/45/35/446164535.db2.gz CLHDSPPNYGVJGA-DLBZAZTESA-N 2 2 341.496 1.104 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000354401503 446179745 /nfs/dbraw/zinc/17/97/45/446179745.db2.gz PIUFJZXQVHGQKJ-HZPDHXFCSA-N 2 2 332.448 1.331 20 0 EDADLP CC(C)[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000359312018 446142917 /nfs/dbraw/zinc/14/29/17/446142917.db2.gz OMVCYHYMBFPWHR-PKOBYXMFSA-N 2 2 346.475 1.301 20 0 EDADLP CCC(CC)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000359322983 446149745 /nfs/dbraw/zinc/14/97/45/446149745.db2.gz XPAORQIJGOUOOU-ROUUACIJSA-N 2 2 337.508 1.819 20 0 EDADLP CCC(CC)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000359322983 446149748 /nfs/dbraw/zinc/14/97/48/446149748.db2.gz XPAORQIJGOUOOU-ROUUACIJSA-N 2 2 337.508 1.819 20 0 EDADLP CCC[N@H+](C)CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000359338326 446158462 /nfs/dbraw/zinc/15/84/62/446158462.db2.gz ILPFSRWODQYJHR-UHFFFAOYSA-N 2 2 346.475 1.283 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354453535 446216312 /nfs/dbraw/zinc/21/63/12/446216312.db2.gz XNGADMLHMWZFAH-RRFJBIMHSA-N 2 2 334.468 1.281 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354453535 446216319 /nfs/dbraw/zinc/21/63/19/446216319.db2.gz XNGADMLHMWZFAH-RRFJBIMHSA-N 2 2 334.468 1.281 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373437362 446217292 /nfs/dbraw/zinc/21/72/92/446217292.db2.gz WDMVQADXGLXOND-JJRVBVJISA-N 2 2 335.473 1.237 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[N@H+](Cc2c[nH]c3nccnc23)CC1 ZINC000365653913 446288779 /nfs/dbraw/zinc/28/87/79/446288779.db2.gz FZVNOLBEOOYCFB-UHFFFAOYSA-N 2 2 325.420 1.351 20 0 EDADLP Cc1cccc(NC2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)[nH+]1 ZINC000370464091 446290696 /nfs/dbraw/zinc/29/06/96/446290696.db2.gz MWHHUXMAFHSPOO-ZDUSSCGKSA-N 2 2 325.478 1.947 20 0 EDADLP COC(=O)C[C@](C)([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccncc1 ZINC000362288860 446307168 /nfs/dbraw/zinc/30/71/68/446307168.db2.gz YYXBQPPTNSVMTC-KRWDZBQOSA-N 2 2 331.420 1.449 20 0 EDADLP Cn1cc[nH+]c1CC1CC[NH+]([C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC000366778621 446347019 /nfs/dbraw/zinc/34/70/19/446347019.db2.gz KRROHLGATSAMQS-KRWDZBQOSA-N 2 2 344.434 1.910 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417501493 446356422 /nfs/dbraw/zinc/35/64/22/446356422.db2.gz IXWSWBQCMGASRQ-UHFFFAOYSA-N 2 2 340.512 1.648 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417501493 446356428 /nfs/dbraw/zinc/35/64/28/446356428.db2.gz IXWSWBQCMGASRQ-UHFFFAOYSA-N 2 2 340.512 1.648 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417956513 446399444 /nfs/dbraw/zinc/39/94/44/446399444.db2.gz SKKHPEFEJQUCOU-XZJROXQQSA-N 2 2 340.418 1.865 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417956513 446399449 /nfs/dbraw/zinc/39/94/49/446399449.db2.gz SKKHPEFEJQUCOU-XZJROXQQSA-N 2 2 340.418 1.865 20 0 EDADLP Cn1cc[nH+]c1CN1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365863766 446376771 /nfs/dbraw/zinc/37/67/71/446376771.db2.gz XGYRJCDVQLHUJP-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP Cn1ccnc1C[N@@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365863766 446376778 /nfs/dbraw/zinc/37/67/78/446376778.db2.gz XGYRJCDVQLHUJP-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP Cn1ccnc1C[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365863766 446376783 /nfs/dbraw/zinc/37/67/83/446376783.db2.gz XGYRJCDVQLHUJP-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP CO[C@H](C)c1nsc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370690539 446389533 /nfs/dbraw/zinc/38/95/33/446389533.db2.gz PKYMHSWBQQTOPD-OCCSQVGLSA-N 2 2 339.509 1.850 20 0 EDADLP CO[C@H](C)c1nsc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370690539 446389536 /nfs/dbraw/zinc/38/95/36/446389536.db2.gz PKYMHSWBQQTOPD-OCCSQVGLSA-N 2 2 339.509 1.850 20 0 EDADLP Cc1cccc2nc(C[NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)cn21 ZINC000374798559 446398569 /nfs/dbraw/zinc/39/85/69/446398569.db2.gz KHEUMGOZDPCDEM-UHFFFAOYSA-N 2 2 344.459 1.302 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+]2CCOCC2(C)C)c(C)[nH+]1 ZINC000411207834 446427304 /nfs/dbraw/zinc/42/73/04/446427304.db2.gz JDZALYGNSDTZSB-UHFFFAOYSA-N 2 2 348.447 1.172 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCOCC2(C)C)c(C)[nH+]1 ZINC000411207834 446427308 /nfs/dbraw/zinc/42/73/08/446427308.db2.gz JDZALYGNSDTZSB-UHFFFAOYSA-N 2 2 348.447 1.172 20 0 EDADLP CNc1nc(N2C[C@@H](C[NH3+])C3(C2)CCOCC3)[nH+]c2ccccc21 ZINC000420272095 446442870 /nfs/dbraw/zinc/44/28/70/446442870.db2.gz KTJSNRLTULSUSJ-CYBMUJFWSA-N 2 2 327.432 1.863 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(C(=O)OC)c3)C2)CC1 ZINC000411254582 446447630 /nfs/dbraw/zinc/44/76/30/446447630.db2.gz NXSVRSFQZBGTNS-OAHLLOKOSA-N 2 2 337.489 1.747 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000376263557 446404916 /nfs/dbraw/zinc/40/49/16/446404916.db2.gz CVUIBRCZPMVDFQ-HOCLYGCPSA-N 2 2 331.464 1.916 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000366922394 446412223 /nfs/dbraw/zinc/41/22/23/446412223.db2.gz VFUYTNPCMPEMNR-OAHLLOKOSA-N 2 2 339.915 1.841 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000366922394 446412227 /nfs/dbraw/zinc/41/22/27/446412227.db2.gz VFUYTNPCMPEMNR-OAHLLOKOSA-N 2 2 339.915 1.841 20 0 EDADLP Cc1cc(Br)cn2cc(CNC(=O)N[C@H](C)C[NH3+])[nH+]c12 ZINC000418015420 446416230 /nfs/dbraw/zinc/41/62/30/446416230.db2.gz DLCVVABHFGQQTL-SECBINFHSA-N 2 2 340.225 1.552 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N1CCC[NH2+]CC1 ZINC000418042283 446423166 /nfs/dbraw/zinc/42/31/66/446423166.db2.gz BOJLAEPMGLXUJK-UHFFFAOYSA-N 2 2 336.867 1.703 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N1CCC[NH2+]CC1 ZINC000418042283 446423171 /nfs/dbraw/zinc/42/31/71/446423171.db2.gz BOJLAEPMGLXUJK-UHFFFAOYSA-N 2 2 336.867 1.703 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420303511 446466538 /nfs/dbraw/zinc/46/65/38/446466538.db2.gz NOHQMKZIWVWPOV-MNEFBYGVSA-N 2 2 341.455 1.466 20 0 EDADLP C[C@H](c1ccccc1)[N@H+](CC(N)=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420303511 446466553 /nfs/dbraw/zinc/46/65/53/446466553.db2.gz NOHQMKZIWVWPOV-MNEFBYGVSA-N 2 2 341.455 1.466 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420304787 446467435 /nfs/dbraw/zinc/46/74/35/446467435.db2.gz JBBFXEQAJKKQAD-LIRRHRJNSA-N 2 2 345.443 1.163 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420304787 446467439 /nfs/dbraw/zinc/46/74/39/446467439.db2.gz JBBFXEQAJKKQAD-LIRRHRJNSA-N 2 2 345.443 1.163 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000420305295 446468828 /nfs/dbraw/zinc/46/88/28/446468828.db2.gz PHPGBFSLCWWTLB-UFYCRDLUSA-N 2 2 326.440 1.991 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000420305295 446468830 /nfs/dbraw/zinc/46/88/30/446468830.db2.gz PHPGBFSLCWWTLB-UFYCRDLUSA-N 2 2 326.440 1.991 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000420309219 446472227 /nfs/dbraw/zinc/47/22/27/446472227.db2.gz ONZMCKHQQMBNNF-AWEZNQCLSA-N 2 2 346.475 1.505 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000370847097 446478472 /nfs/dbraw/zinc/47/84/72/446478472.db2.gz YRJCKWQCZATAHC-OAHLLOKOSA-N 2 2 348.447 1.145 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000370847097 446478482 /nfs/dbraw/zinc/47/84/82/446478482.db2.gz YRJCKWQCZATAHC-OAHLLOKOSA-N 2 2 348.447 1.145 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000420313452 446478949 /nfs/dbraw/zinc/47/89/49/446478949.db2.gz JYMLYJYBDQCJRN-INIZCTEOSA-N 2 2 347.459 1.786 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000420313452 446478953 /nfs/dbraw/zinc/47/89/53/446478953.db2.gz JYMLYJYBDQCJRN-INIZCTEOSA-N 2 2 347.459 1.786 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCC[NH2+]C)[C@H](C)C1 ZINC000418274844 446479726 /nfs/dbraw/zinc/47/97/26/446479726.db2.gz BRDUSTJBSPPXMY-MRXNPFEDSA-N 2 2 348.491 1.911 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCC[NH2+]C)[C@H](C)C1 ZINC000418274844 446479733 /nfs/dbraw/zinc/47/97/33/446479733.db2.gz BRDUSTJBSPPXMY-MRXNPFEDSA-N 2 2 348.491 1.911 20 0 EDADLP O=C(NCCC[NH2+]Cc1cccnc1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418334362 446503585 /nfs/dbraw/zinc/50/35/85/446503585.db2.gz XBBRYFNKFYAKQH-AWEZNQCLSA-N 2 2 341.406 1.105 20 0 EDADLP CCCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012870 446513051 /nfs/dbraw/zinc/51/30/51/446513051.db2.gz NLKKMNIKFKNJMF-INIZCTEOSA-N 2 2 332.492 1.935 20 0 EDADLP CCCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012870 446513055 /nfs/dbraw/zinc/51/30/55/446513055.db2.gz NLKKMNIKFKNJMF-INIZCTEOSA-N 2 2 332.492 1.935 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](C)[NH2+]C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423392082 446515320 /nfs/dbraw/zinc/51/53/20/446515320.db2.gz OAUNDYVGEXCHPT-MFKMUULPSA-N 2 2 333.885 1.897 20 0 EDADLP C[NH2+]CCNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1scnc1C ZINC000418325602 446499275 /nfs/dbraw/zinc/49/92/75/446499275.db2.gz JFDWLCVDOSWVSI-STQMWFEESA-N 2 2 343.472 1.225 20 0 EDADLP C[NH2+]CCNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1scnc1C ZINC000418325602 446499279 /nfs/dbraw/zinc/49/92/79/446499279.db2.gz JFDWLCVDOSWVSI-STQMWFEESA-N 2 2 343.472 1.225 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433368510 446564118 /nfs/dbraw/zinc/56/41/18/446564118.db2.gz WYIIHMZFCMBSEN-UHFFFAOYSA-N 2 2 333.476 1.931 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000418381830 446522417 /nfs/dbraw/zinc/52/24/17/446522417.db2.gz LIGYMRDJQISFOD-AWEZNQCLSA-N 2 2 336.505 1.890 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000420352559 446531300 /nfs/dbraw/zinc/53/13/00/446531300.db2.gz ARGXYSFMMUYZJU-CYBMUJFWSA-N 2 2 339.509 1.640 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000418401379 446531389 /nfs/dbraw/zinc/53/13/89/446531389.db2.gz IBDPHABPXWANIN-INIZCTEOSA-N 2 2 334.464 1.506 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000420355732 446535852 /nfs/dbraw/zinc/53/58/52/446535852.db2.gz FRNCTSPZWUUABE-PMACEKPBSA-N 2 2 340.471 1.130 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000420355732 446535861 /nfs/dbraw/zinc/53/58/61/446535861.db2.gz FRNCTSPZWUUABE-PMACEKPBSA-N 2 2 340.471 1.130 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[NH+]2CCC1CC2 ZINC000367409023 446543256 /nfs/dbraw/zinc/54/32/56/446543256.db2.gz BFIJWFGJCYFYPO-UHFFFAOYSA-N 2 2 331.342 1.435 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCN(C)[C@H](c3nc(C)no3)C2)cc1 ZINC000420363584 446543203 /nfs/dbraw/zinc/54/32/03/446543203.db2.gz BPBCFXXOEUNEPO-RDJZCZTQSA-N 2 2 345.447 1.418 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCN(C)[C@H](c3nc(C)no3)C2)cc1 ZINC000420363584 446543212 /nfs/dbraw/zinc/54/32/12/446543212.db2.gz BPBCFXXOEUNEPO-RDJZCZTQSA-N 2 2 345.447 1.418 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000420364721 446545096 /nfs/dbraw/zinc/54/50/96/446545096.db2.gz KOCYOLBBPDEJHX-GJYPPUQNSA-N 3 2 345.491 1.096 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000420364721 446545101 /nfs/dbraw/zinc/54/51/01/446545101.db2.gz KOCYOLBBPDEJHX-GJYPPUQNSA-N 2 2 345.491 1.096 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000420368621 446545482 /nfs/dbraw/zinc/54/54/82/446545482.db2.gz UJCMDQDEGKRUFI-INIZCTEOSA-N 2 2 344.459 1.495 20 0 EDADLP OCC[NH+]1CCC(C[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000453103824 446545569 /nfs/dbraw/zinc/54/55/69/446545569.db2.gz SHKHTRIRJIEHPS-QGZVFWFLSA-N 2 2 333.411 1.327 20 0 EDADLP OCC[NH+]1CCC(C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000453103824 446545576 /nfs/dbraw/zinc/54/55/76/446545576.db2.gz SHKHTRIRJIEHPS-QGZVFWFLSA-N 2 2 333.411 1.327 20 0 EDADLP OCC[NH+]1CCC(C[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000453103824 446545585 /nfs/dbraw/zinc/54/55/85/446545585.db2.gz SHKHTRIRJIEHPS-QGZVFWFLSA-N 2 2 333.411 1.327 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]21 ZINC000375055954 446549989 /nfs/dbraw/zinc/54/99/89/446549989.db2.gz BQBDMAFZUAKUEP-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]21 ZINC000375055954 446549991 /nfs/dbraw/zinc/54/99/91/446549991.db2.gz BQBDMAFZUAKUEP-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000420373159 446550339 /nfs/dbraw/zinc/55/03/39/446550339.db2.gz QWEORVVWDWTRIE-RKVPGOIHSA-N 2 2 325.497 1.818 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000420372043 446550535 /nfs/dbraw/zinc/55/05/35/446550535.db2.gz XQONZUHHPCTJMP-JKSUJKDBSA-N 2 2 337.439 1.689 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000420376253 446552860 /nfs/dbraw/zinc/55/28/60/446552860.db2.gz QFHPRKXABZWRPJ-WJMWBRGCSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000420376253 446552864 /nfs/dbraw/zinc/55/28/64/446552864.db2.gz QFHPRKXABZWRPJ-WJMWBRGCSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420376253 446552868 /nfs/dbraw/zinc/55/28/68/446552868.db2.gz QFHPRKXABZWRPJ-WJMWBRGCSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420376253 446552869 /nfs/dbraw/zinc/55/28/69/446552869.db2.gz QFHPRKXABZWRPJ-WJMWBRGCSA-N 3 2 343.515 1.866 20 0 EDADLP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420382124 446556728 /nfs/dbraw/zinc/55/67/28/446556728.db2.gz YHZKLLUPFVSWLD-FPSMNIFISA-N 2 2 332.444 1.191 20 0 EDADLP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420382124 446556732 /nfs/dbraw/zinc/55/67/32/446556732.db2.gz YHZKLLUPFVSWLD-FPSMNIFISA-N 2 2 332.444 1.191 20 0 EDADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000371074589 446613131 /nfs/dbraw/zinc/61/31/31/446613131.db2.gz ODGIMLBCLWKJEE-CQSZACIVSA-N 2 2 336.436 1.150 20 0 EDADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000371074589 446613138 /nfs/dbraw/zinc/61/31/38/446613138.db2.gz ODGIMLBCLWKJEE-CQSZACIVSA-N 2 2 336.436 1.150 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418621637 446618503 /nfs/dbraw/zinc/61/85/03/446618503.db2.gz SYMOGHXICUUSAF-XIRDDKMYSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418621637 446618506 /nfs/dbraw/zinc/61/85/06/446618506.db2.gz SYMOGHXICUUSAF-XIRDDKMYSA-N 3 2 339.528 1.312 20 0 EDADLP CCN1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433478431 446580616 /nfs/dbraw/zinc/58/06/16/446580616.db2.gz CFBSCKGXIJUDTO-QGZVFWFLSA-N 2 2 341.459 1.990 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)CC[NH3+])CC2)cc1 ZINC000418528140 446581690 /nfs/dbraw/zinc/58/16/90/446581690.db2.gz OWTRUQRSSVDGPY-OAHLLOKOSA-N 2 2 334.464 1.650 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)C2=O)c1 ZINC000420416908 446589722 /nfs/dbraw/zinc/58/97/22/446589722.db2.gz WBBRTKHELGDRSR-DEYYWGMASA-N 2 2 347.459 1.726 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)C2=O)c1 ZINC000420416908 446589726 /nfs/dbraw/zinc/58/97/26/446589726.db2.gz WBBRTKHELGDRSR-DEYYWGMASA-N 2 2 347.459 1.726 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH+]1CCOCC1 ZINC000371056438 446601616 /nfs/dbraw/zinc/60/16/16/446601616.db2.gz RYRDUYGORMKSHW-JKSUJKDBSA-N 2 2 349.479 1.276 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423679081 446638084 /nfs/dbraw/zinc/63/80/84/446638084.db2.gz SXZHGZJVSBASFB-RBUKOAKNSA-N 2 2 343.471 1.633 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423679081 446638091 /nfs/dbraw/zinc/63/80/91/446638091.db2.gz SXZHGZJVSBASFB-RBUKOAKNSA-N 2 2 343.471 1.633 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423679079 446638256 /nfs/dbraw/zinc/63/82/56/446638256.db2.gz SXZHGZJVSBASFB-MOPGFXCFSA-N 2 2 343.471 1.633 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423679079 446638260 /nfs/dbraw/zinc/63/82/60/446638260.db2.gz SXZHGZJVSBASFB-MOPGFXCFSA-N 2 2 343.471 1.633 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418669679 446642635 /nfs/dbraw/zinc/64/26/35/446642635.db2.gz JPTZTQQDKRQALC-KRWDZBQOSA-N 2 2 334.464 1.440 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000418736727 446661146 /nfs/dbraw/zinc/66/11/46/446661146.db2.gz UVNPWJYVCLQLNU-FUHWJXTLSA-N 2 2 348.491 1.656 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000434102786 446622976 /nfs/dbraw/zinc/62/29/76/446622976.db2.gz CTFYNYZONWOYHT-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000371102503 446629321 /nfs/dbraw/zinc/62/93/21/446629321.db2.gz ZWAIETPLSMMFIS-QGZVFWFLSA-N 2 2 344.459 1.525 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000371102503 446629324 /nfs/dbraw/zinc/62/93/24/446629324.db2.gz ZWAIETPLSMMFIS-QGZVFWFLSA-N 2 2 344.459 1.525 20 0 EDADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](CC(=O)N2CCNC2=O)CC1 ZINC000371102503 446629329 /nfs/dbraw/zinc/62/93/29/446629329.db2.gz ZWAIETPLSMMFIS-QGZVFWFLSA-N 2 2 344.459 1.525 20 0 EDADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)CC1 ZINC000371102503 446629334 /nfs/dbraw/zinc/62/93/34/446629334.db2.gz ZWAIETPLSMMFIS-QGZVFWFLSA-N 2 2 344.459 1.525 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)s1 ZINC000423761517 446691516 /nfs/dbraw/zinc/69/15/16/446691516.db2.gz RHFNYXKNNYZLKW-KFWWJZLASA-N 2 2 337.489 1.673 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000423816885 446705403 /nfs/dbraw/zinc/70/54/03/446705403.db2.gz KOIZKNQMHTWBSY-ZBFHGGJFSA-N 2 2 337.489 1.722 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000376786327 446717901 /nfs/dbraw/zinc/71/79/01/446717901.db2.gz DRMDWSWXCAIEGW-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)c1ccco1 ZINC000376798577 446724151 /nfs/dbraw/zinc/72/41/51/446724151.db2.gz HJVZJFPRPJGJRV-AWEZNQCLSA-N 2 2 331.420 1.915 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]([NH3+])C(C)C)c2)CC1 ZINC000423836073 446724141 /nfs/dbraw/zinc/72/41/41/446724141.db2.gz GEKRGAHWCNMGFP-KRWDZBQOSA-N 2 2 332.448 1.273 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)c1cccc(F)c1 ZINC000376811639 446733989 /nfs/dbraw/zinc/73/39/89/446733989.db2.gz RDXDNYNYIIZGEZ-KRWDZBQOSA-N 2 2 349.450 1.800 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423860519 446734421 /nfs/dbraw/zinc/73/44/21/446734421.db2.gz AOJIPWFLXFPOQN-JKSUJKDBSA-N 2 2 325.497 1.580 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423860519 446734425 /nfs/dbraw/zinc/73/44/25/446734425.db2.gz AOJIPWFLXFPOQN-JKSUJKDBSA-N 2 2 325.497 1.580 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423916748 446765245 /nfs/dbraw/zinc/76/52/45/446765245.db2.gz NEHPRQSOYBCBHN-RWMBFGLXSA-N 2 2 329.441 1.141 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423916748 446765255 /nfs/dbraw/zinc/76/52/55/446765255.db2.gz NEHPRQSOYBCBHN-RWMBFGLXSA-N 2 2 329.441 1.141 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000423917361 446766827 /nfs/dbraw/zinc/76/68/27/446766827.db2.gz NXAXKDYDFQWNFH-MRFFXNKRSA-N 2 2 340.443 1.693 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000423917361 446766834 /nfs/dbraw/zinc/76/68/34/446766834.db2.gz NXAXKDYDFQWNFH-MRFFXNKRSA-N 2 2 340.443 1.693 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000423919572 446769011 /nfs/dbraw/zinc/76/90/11/446769011.db2.gz QTTHUXBOULBFLK-YQQAZPJKSA-N 2 2 339.459 1.308 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000423919572 446769015 /nfs/dbraw/zinc/76/90/15/446769015.db2.gz QTTHUXBOULBFLK-YQQAZPJKSA-N 2 2 339.459 1.308 20 0 EDADLP CN(C(=O)c1cnn(CCF)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376904655 446787583 /nfs/dbraw/zinc/78/75/83/446787583.db2.gz SNJVDFRVGNTFHV-MRXNPFEDSA-N 2 2 337.443 1.093 20 0 EDADLP CN(C(=O)c1cnn(CCF)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376904655 446787587 /nfs/dbraw/zinc/78/75/87/446787587.db2.gz SNJVDFRVGNTFHV-MRXNPFEDSA-N 2 2 337.443 1.093 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000424009163 446821856 /nfs/dbraw/zinc/82/18/56/446821856.db2.gz ZGNZIIMDPLWSCT-FRQCXROJSA-N 2 2 343.475 1.289 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000424009163 446821862 /nfs/dbraw/zinc/82/18/62/446821862.db2.gz ZGNZIIMDPLWSCT-FRQCXROJSA-N 2 2 343.475 1.289 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CCCN(Cc3[nH+]ccn3C)CC2)o1 ZINC000371418691 446842966 /nfs/dbraw/zinc/84/29/66/446842966.db2.gz PXTGLRZUXBYWNZ-UHFFFAOYSA-N 2 2 346.431 1.898 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CCCN(Cc3[nH+]ccn3C)CC2)o1 ZINC000371418691 446842973 /nfs/dbraw/zinc/84/29/73/446842973.db2.gz PXTGLRZUXBYWNZ-UHFFFAOYSA-N 2 2 346.431 1.898 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000377070912 446900764 /nfs/dbraw/zinc/90/07/64/446900764.db2.gz ZSOZTKXYZACLJO-QZTJIDSGSA-N 2 2 349.523 1.868 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000368437482 446862285 /nfs/dbraw/zinc/86/22/85/446862285.db2.gz GCIFZWAFHIYEKA-INIZCTEOSA-N 2 2 330.436 1.078 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000368437482 446862290 /nfs/dbraw/zinc/86/22/90/446862290.db2.gz GCIFZWAFHIYEKA-INIZCTEOSA-N 2 2 330.436 1.078 20 0 EDADLP Nc1nccc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000368454931 446873425 /nfs/dbraw/zinc/87/34/25/446873425.db2.gz MUQCQZCHBUODFH-HNNXBMFYSA-N 2 2 335.415 2.019 20 0 EDADLP Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000368454931 446873430 /nfs/dbraw/zinc/87/34/30/446873430.db2.gz MUQCQZCHBUODFH-HNNXBMFYSA-N 2 2 335.415 2.019 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4CC[N@@H+](C)[C@@H]4C3)cn21 ZINC000371471145 446877630 /nfs/dbraw/zinc/87/76/30/446877630.db2.gz RLGBUCRPCFCIEZ-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4CC[N@H+](C)[C@@H]4C3)cn21 ZINC000371471145 446877637 /nfs/dbraw/zinc/87/76/37/446877637.db2.gz RLGBUCRPCFCIEZ-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP CCNC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000368464723 446879028 /nfs/dbraw/zinc/87/90/28/446879028.db2.gz HJEPOEUEZSGMAR-UHFFFAOYSA-N 2 2 330.476 1.942 20 0 EDADLP C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C(N)=O)C1 ZINC000420923198 446891602 /nfs/dbraw/zinc/89/16/02/446891602.db2.gz PRHSTDUDXUYJNN-YJBOKZPZSA-N 2 2 331.460 1.605 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C(N)=O)C1 ZINC000420923198 446891605 /nfs/dbraw/zinc/89/16/05/446891605.db2.gz PRHSTDUDXUYJNN-YJBOKZPZSA-N 2 2 331.460 1.605 20 0 EDADLP C[N@H+](CCCCNC(=O)NCC[NH+]1CCOCC1(C)C)C1CC1 ZINC000454532175 446903818 /nfs/dbraw/zinc/90/38/18/446903818.db2.gz UYONMFTTYJMUIF-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+](CCCCNC(=O)NCC[NH+]1CCOCC1(C)C)C1CC1 ZINC000454532175 446903822 /nfs/dbraw/zinc/90/38/22/446903822.db2.gz UYONMFTTYJMUIF-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](CCCCNC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC1 ZINC000454532175 446903824 /nfs/dbraw/zinc/90/38/24/446903824.db2.gz UYONMFTTYJMUIF-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](CCCCNC(=O)NCC[N@H+]1CCOCC1(C)C)C1CC1 ZINC000454532175 446903828 /nfs/dbraw/zinc/90/38/28/446903828.db2.gz UYONMFTTYJMUIF-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CC(=O)N[C@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420949802 446921014 /nfs/dbraw/zinc/92/10/14/446921014.db2.gz FWJMRPIBCIZMJO-RBUKOAKNSA-N 2 2 331.460 1.488 20 0 EDADLP CC(=O)N[C@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420949802 446921021 /nfs/dbraw/zinc/92/10/21/446921021.db2.gz FWJMRPIBCIZMJO-RBUKOAKNSA-N 2 2 331.460 1.488 20 0 EDADLP CC(=O)N[C@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000420949802 446921027 /nfs/dbraw/zinc/92/10/27/446921027.db2.gz FWJMRPIBCIZMJO-RBUKOAKNSA-N 2 2 331.460 1.488 20 0 EDADLP CC(=O)N[C@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000420949802 446921032 /nfs/dbraw/zinc/92/10/32/446921032.db2.gz FWJMRPIBCIZMJO-RBUKOAKNSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960389 446930512 /nfs/dbraw/zinc/93/05/12/446930512.db2.gz GTXVYZAKYFQHPJ-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960389 446930523 /nfs/dbraw/zinc/93/05/23/446930523.db2.gz GTXVYZAKYFQHPJ-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP CC(C)Cn1ncnc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000368590970 446964362 /nfs/dbraw/zinc/96/43/62/446964362.db2.gz MLAXVTUESFGCPL-QGZVFWFLSA-N 2 2 334.512 1.534 20 0 EDADLP CC(C)Cn1ncnc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000368590970 446964364 /nfs/dbraw/zinc/96/43/64/446964364.db2.gz MLAXVTUESFGCPL-QGZVFWFLSA-N 2 2 334.512 1.534 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442777949 446966260 /nfs/dbraw/zinc/96/62/60/446966260.db2.gz FFASKTBWGSVWPU-NNQSOWQGSA-N 2 2 331.416 1.611 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442777949 446966267 /nfs/dbraw/zinc/96/62/67/446966267.db2.gz FFASKTBWGSVWPU-NNQSOWQGSA-N 2 2 331.416 1.611 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(CO)c1 ZINC000368595474 446967701 /nfs/dbraw/zinc/96/77/01/446967701.db2.gz SSAVCAIAURDZQO-LPHOPBHVSA-N 2 2 333.476 1.236 20 0 EDADLP C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000421003961 446978551 /nfs/dbraw/zinc/97/85/51/446978551.db2.gz CQBWYPAUAZHIHC-GJZGRUSLSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H]1CC[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000421003961 446978554 /nfs/dbraw/zinc/97/85/54/446978554.db2.gz CQBWYPAUAZHIHC-GJZGRUSLSA-N 2 2 337.489 1.238 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425168348 447039330 /nfs/dbraw/zinc/03/93/30/447039330.db2.gz HNOSFPRWRUPJGG-DLBZAZTESA-N 2 2 342.443 1.769 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425168348 447039335 /nfs/dbraw/zinc/03/93/35/447039335.db2.gz HNOSFPRWRUPJGG-DLBZAZTESA-N 2 2 342.443 1.769 20 0 EDADLP Cc1[nH]c(=O)ccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375787465 447048246 /nfs/dbraw/zinc/04/82/46/447048246.db2.gz GULKPEGAGODNOE-CYBMUJFWSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1[nH]c(=O)ccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375787465 447048253 /nfs/dbraw/zinc/04/82/53/447048253.db2.gz GULKPEGAGODNOE-CYBMUJFWSA-N 2 2 332.448 1.336 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000413185308 447056515 /nfs/dbraw/zinc/05/65/15/447056515.db2.gz MFDOPBCUNTUSAF-QXSJWSMHSA-N 2 2 333.480 1.824 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000413185308 447056521 /nfs/dbraw/zinc/05/65/21/447056521.db2.gz MFDOPBCUNTUSAF-QXSJWSMHSA-N 2 2 333.480 1.824 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425341365 447120975 /nfs/dbraw/zinc/12/09/75/447120975.db2.gz XCIHXNPZHHAPTO-OAHLLOKOSA-N 2 2 328.464 1.760 20 0 EDADLP C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425254962 447083365 /nfs/dbraw/zinc/08/33/65/447083365.db2.gz MCHYYBNBKRAOLA-YJBOKZPZSA-N 2 2 328.416 1.115 20 0 EDADLP C[N@H+]1CC[C@](O)(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425254962 447083371 /nfs/dbraw/zinc/08/33/71/447083371.db2.gz MCHYYBNBKRAOLA-YJBOKZPZSA-N 2 2 328.416 1.115 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCSCc3ccccc3)CCO2)CC1 ZINC000375914897 447146456 /nfs/dbraw/zinc/14/64/56/447146456.db2.gz ANRFWUYLRULPBT-IBGZPJMESA-N 2 2 349.544 1.868 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000368847984 447156867 /nfs/dbraw/zinc/15/68/67/447156867.db2.gz SGLKHOIBIFCJGP-UHFFFAOYSA-N 2 2 345.491 1.148 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC000372592515 447169305 /nfs/dbraw/zinc/16/93/05/447169305.db2.gz QHCUIKLBEPVRND-ZDUSSCGKSA-N 2 2 347.488 1.665 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC000372592515 447169314 /nfs/dbraw/zinc/16/93/14/447169314.db2.gz QHCUIKLBEPVRND-ZDUSSCGKSA-N 2 2 347.488 1.665 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C1 ZINC000377505223 447171299 /nfs/dbraw/zinc/17/12/99/447171299.db2.gz NTLXZEFUMPHAFD-HOTGVXAUSA-N 2 2 347.507 1.573 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000368953046 447220155 /nfs/dbraw/zinc/22/01/55/447220155.db2.gz ZNWPJUYKQFYLNN-CQSZACIVSA-N 2 2 330.432 1.260 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CC[C@H](O)c3ccccc3)CCO2)CC1 ZINC000377586178 447225123 /nfs/dbraw/zinc/22/51/23/447225123.db2.gz XKJNLYJASXVTTK-OALUTQOASA-N 2 2 333.476 1.058 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CC[C@H](O)c3ccccc3)CCO2)CC1 ZINC000377586178 447225132 /nfs/dbraw/zinc/22/51/32/447225132.db2.gz XKJNLYJASXVTTK-OALUTQOASA-N 2 2 333.476 1.058 20 0 EDADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000372732604 447255502 /nfs/dbraw/zinc/25/55/02/447255502.db2.gz QHEQREFOLFYLIG-INIZCTEOSA-N 2 2 342.443 1.460 20 0 EDADLP CCCCOC(=O)CC[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000369050299 447289287 /nfs/dbraw/zinc/28/92/87/447289287.db2.gz DZDHCVSQXZGMHO-SJORKVTESA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000369050299 447289294 /nfs/dbraw/zinc/28/92/94/447289294.db2.gz DZDHCVSQXZGMHO-SJORKVTESA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000369050299 447289298 /nfs/dbraw/zinc/28/92/98/447289298.db2.gz DZDHCVSQXZGMHO-SJORKVTESA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000369050299 447289305 /nfs/dbraw/zinc/28/93/05/447289305.db2.gz DZDHCVSQXZGMHO-SJORKVTESA-N 2 2 341.496 1.057 20 0 EDADLP CN(C)c1ncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000377688153 447295345 /nfs/dbraw/zinc/29/53/45/447295345.db2.gz BQSTYTWCPCKJDJ-JWTNVVGKSA-N 2 2 344.507 1.285 20 0 EDADLP CN(C)c1ncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000377688153 447295351 /nfs/dbraw/zinc/29/53/51/447295351.db2.gz BQSTYTWCPCKJDJ-JWTNVVGKSA-N 2 2 344.507 1.285 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H](C)[NH+](CCO)[C@H](C)C1)CCC2 ZINC000376084622 447258670 /nfs/dbraw/zinc/25/86/70/447258670.db2.gz TXUHTDGJEUUATO-OAGGEKHMSA-N 2 2 349.479 1.165 20 0 EDADLP COC1([C@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)CCCCC1 ZINC000421838081 447262332 /nfs/dbraw/zinc/26/23/32/447262332.db2.gz UTCZVVVZZBRGPJ-SFHVURJKSA-N 2 2 341.540 1.704 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cn1 ZINC000377662581 447279928 /nfs/dbraw/zinc/27/99/28/447279928.db2.gz QHIMYNVIASRRNW-CYBMUJFWSA-N 2 2 328.420 1.150 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000494636718 447452550 /nfs/dbraw/zinc/45/25/50/447452550.db2.gz JKRIVFBFTASYBN-HLLBOEOZSA-N 2 2 346.475 1.844 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419943291 447505382 /nfs/dbraw/zinc/50/53/82/447505382.db2.gz IKTIZWZQBAHIRU-CABCVRRESA-N 2 2 347.463 1.215 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495742446 447573854 /nfs/dbraw/zinc/57/38/54/447573854.db2.gz AFBXRDIXUYWBED-JKSUJKDBSA-N 2 2 340.512 1.564 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495742446 447573861 /nfs/dbraw/zinc/57/38/61/447573861.db2.gz AFBXRDIXUYWBED-JKSUJKDBSA-N 2 2 340.512 1.564 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000457432624 447580445 /nfs/dbraw/zinc/58/04/45/447580445.db2.gz DUNUEVHCFIKMQS-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000457432624 447580449 /nfs/dbraw/zinc/58/04/49/447580449.db2.gz DUNUEVHCFIKMQS-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)C1 ZINC000416150111 447532304 /nfs/dbraw/zinc/53/23/04/447532304.db2.gz IZACQJYLSVBXCC-CQSZACIVSA-N 2 2 338.455 1.999 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)C1 ZINC000416150111 447532310 /nfs/dbraw/zinc/53/23/10/447532310.db2.gz IZACQJYLSVBXCC-CQSZACIVSA-N 2 2 338.455 1.999 20 0 EDADLP CC[C@](C)(CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)OC ZINC000459003089 447535436 /nfs/dbraw/zinc/53/54/36/447535436.db2.gz OINPACOGDNNJNF-QGZVFWFLSA-N 2 2 328.501 1.469 20 0 EDADLP CC[C@](C)(CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)OC ZINC000459003089 447535442 /nfs/dbraw/zinc/53/54/42/447535442.db2.gz OINPACOGDNNJNF-QGZVFWFLSA-N 2 2 328.501 1.469 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)C2 ZINC000419997181 447535618 /nfs/dbraw/zinc/53/56/18/447535618.db2.gz LOHBURAISHAYRN-SCLBCKFNSA-N 2 2 336.480 1.457 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)CC2 ZINC000419997181 447535627 /nfs/dbraw/zinc/53/56/27/447535627.db2.gz LOHBURAISHAYRN-SCLBCKFNSA-N 2 2 336.480 1.457 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000459068914 447560991 /nfs/dbraw/zinc/56/09/91/447560991.db2.gz WSMZAGWVDUPDHO-UONOGXRCSA-N 2 2 337.468 1.451 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000459068914 447560994 /nfs/dbraw/zinc/56/09/94/447560994.db2.gz WSMZAGWVDUPDHO-UONOGXRCSA-N 2 2 337.468 1.451 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400421664 447572199 /nfs/dbraw/zinc/57/21/99/447572199.db2.gz XBEXCGWOIPVUMV-HRCADAONSA-N 2 2 340.512 1.467 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400421664 447572206 /nfs/dbraw/zinc/57/22/06/447572206.db2.gz XBEXCGWOIPVUMV-HRCADAONSA-N 2 2 340.512 1.467 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000459184252 447607791 /nfs/dbraw/zinc/60/77/91/447607791.db2.gz RPGJZLJEPLMUNF-UHFFFAOYSA-N 2 2 347.438 1.875 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416909195 447705079 /nfs/dbraw/zinc/70/50/79/447705079.db2.gz FKLQHTAPHSABJR-OAHLLOKOSA-N 2 2 327.432 1.730 20 0 EDADLP CC[NH+]1C[C@H](C)N(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000459451666 447669923 /nfs/dbraw/zinc/66/99/23/447669923.db2.gz BEYSXHJSSPEYFR-IRXDYDNUSA-N 2 2 348.491 1.338 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000422626303 447675449 /nfs/dbraw/zinc/67/54/49/447675449.db2.gz DRMNAOTWIRVJDE-IHRRRGAJSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000422626303 447675455 /nfs/dbraw/zinc/67/54/55/447675455.db2.gz DRMNAOTWIRVJDE-IHRRRGAJSA-N 2 2 335.448 1.948 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416824255 447690721 /nfs/dbraw/zinc/69/07/21/447690721.db2.gz ZJOWCADRRIRRHQ-KRWDZBQOSA-N 2 2 334.464 1.186 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416824255 447690728 /nfs/dbraw/zinc/69/07/28/447690728.db2.gz ZJOWCADRRIRRHQ-KRWDZBQOSA-N 2 2 334.464 1.186 20 0 EDADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000416934989 447714997 /nfs/dbraw/zinc/71/49/97/447714997.db2.gz FPCMNLXOZBKLPF-INIZCTEOSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000416944403 447719333 /nfs/dbraw/zinc/71/93/33/447719333.db2.gz UYYMHLYVFHQEGC-GDBMZVCRSA-N 2 2 331.464 1.951 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000422704334 447722084 /nfs/dbraw/zinc/72/20/84/447722084.db2.gz PITMSWRFCKNPNN-VNHYZAJKSA-N 2 2 341.477 1.012 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000422737290 447733996 /nfs/dbraw/zinc/73/39/96/447733996.db2.gz XEPROUJWUZGJBM-DJIMGWMZSA-N 2 2 333.476 1.999 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H](C)C[NH2+]1 ZINC000417266031 447739824 /nfs/dbraw/zinc/73/98/24/447739824.db2.gz DERNDDIKQNMLET-CHWSQXEVSA-N 2 2 331.395 1.903 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000422773530 447747114 /nfs/dbraw/zinc/74/71/14/447747114.db2.gz UILGHOVBYYPUAI-VQIMIIECSA-N 3 2 333.476 1.375 20 0 EDADLP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000422773530 447747117 /nfs/dbraw/zinc/74/71/17/447747117.db2.gz UILGHOVBYYPUAI-VQIMIIECSA-N 2 2 333.476 1.375 20 0 EDADLP COc1ccc([C@H](NC[C@H](C)[NH+]2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422803434 447755266 /nfs/dbraw/zinc/75/52/66/447755266.db2.gz FYLYYTGWIMWHSF-IPELMVKDSA-N 2 2 333.476 1.799 20 0 EDADLP CCC(CC)[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000422815487 447757434 /nfs/dbraw/zinc/75/74/34/447757434.db2.gz BWZHNVLJJHGVNW-IPMKNSEASA-N 2 2 339.524 1.480 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000422849167 447768664 /nfs/dbraw/zinc/76/86/64/447768664.db2.gz UTHKEPYSFJVSBM-OALUTQOASA-N 2 2 345.487 1.577 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422849167 447768667 /nfs/dbraw/zinc/76/86/67/447768667.db2.gz UTHKEPYSFJVSBM-OALUTQOASA-N 2 2 345.487 1.577 20 0 EDADLP CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422944166 447778010 /nfs/dbraw/zinc/77/80/10/447778010.db2.gz ZJYCNMSXTFZZQZ-IRXDYDNUSA-N 2 2 339.505 1.784 20 0 EDADLP C[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)CC(C)(C)C[NH3+] ZINC000430565304 447780313 /nfs/dbraw/zinc/78/03/13/447780313.db2.gz PQFVGXYMOILHBJ-MRXNPFEDSA-N 2 2 337.439 1.642 20 0 EDADLP C[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)CC(C)(C)C[NH3+] ZINC000430565304 447780315 /nfs/dbraw/zinc/78/03/15/447780315.db2.gz PQFVGXYMOILHBJ-MRXNPFEDSA-N 2 2 337.439 1.642 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)[C@@H]1CCCC[NH2+]1 ZINC000422960118 447781426 /nfs/dbraw/zinc/78/14/26/447781426.db2.gz AVEHVDLFZTXQFT-PMPSAXMXSA-N 3 2 332.496 1.997 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)[C@@H]1CCCC[NH2+]1 ZINC000422960118 447781428 /nfs/dbraw/zinc/78/14/28/447781428.db2.gz AVEHVDLFZTXQFT-PMPSAXMXSA-N 2 2 332.496 1.997 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000422968878 447783444 /nfs/dbraw/zinc/78/34/44/447783444.db2.gz SKMFXUCEYGSOSN-ZTFGCOKTSA-N 2 2 346.475 1.490 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)c3c[nH+]ccc3N)C2)nc1 ZINC000423038712 447796365 /nfs/dbraw/zinc/79/63/65/447796365.db2.gz ZCSCZRQDKGZSQS-LBPRGKRZSA-N 2 2 341.415 1.605 20 0 EDADLP O=C(C[N@H+]1CC[C@@](O)(C2CC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000489155322 447852151 /nfs/dbraw/zinc/85/21/51/447852151.db2.gz ZUKSVLBTHLXGFG-SFHVURJKSA-N 2 2 349.500 1.239 20 0 EDADLP O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000489155322 447852152 /nfs/dbraw/zinc/85/21/52/447852152.db2.gz ZUKSVLBTHLXGFG-SFHVURJKSA-N 2 2 349.500 1.239 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000569694956 447869454 /nfs/dbraw/zinc/86/94/54/447869454.db2.gz VONDDRGUGCQYAI-BXUZGUMPSA-N 2 2 333.823 1.881 20 0 EDADLP C[C@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000496788298 447912890 /nfs/dbraw/zinc/91/28/90/447912890.db2.gz YRMMQHMLWOGYMG-CRAIPNDOSA-N 2 2 343.512 1.972 20 0 EDADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])COCc1ccccc1 ZINC000575899315 447924903 /nfs/dbraw/zinc/92/49/03/447924903.db2.gz HGHVVQBVAAZIOU-DOTOQJQBSA-N 2 2 334.464 1.124 20 0 EDADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])COCc1ccccc1 ZINC000575899315 447924908 /nfs/dbraw/zinc/92/49/08/447924908.db2.gz HGHVVQBVAAZIOU-DOTOQJQBSA-N 2 2 334.464 1.124 20 0 EDADLP CS(=O)(=O)c1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1 ZINC000552058229 447931386 /nfs/dbraw/zinc/93/13/86/447931386.db2.gz GIWFXDFXOKLBJP-UHFFFAOYSA-N 2 2 342.424 2.342 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000570312189 447984488 /nfs/dbraw/zinc/98/44/88/447984488.db2.gz ZFCRMGQVMCAICC-IBGZPJMESA-N 3 2 334.508 1.992 20 0 EDADLP CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]CCC[NH+]2CCOCC2)C1 ZINC000496875809 447992419 /nfs/dbraw/zinc/99/24/19/447992419.db2.gz OEFRNNWEHVIIKL-CRAIPNDOSA-N 2 2 339.480 1.555 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553426711 447993254 /nfs/dbraw/zinc/99/32/54/447993254.db2.gz JMFZTQRQOUZCQX-SJORKVTESA-N 2 2 341.459 1.294 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553426711 447993260 /nfs/dbraw/zinc/99/32/60/447993260.db2.gz JMFZTQRQOUZCQX-SJORKVTESA-N 2 2 341.459 1.294 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000497257296 448011874 /nfs/dbraw/zinc/01/18/74/448011874.db2.gz MWOQPFWFESZAPJ-CVEARBPZSA-N 2 2 327.469 1.432 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000497257296 448011880 /nfs/dbraw/zinc/01/18/80/448011880.db2.gz MWOQPFWFESZAPJ-CVEARBPZSA-N 2 2 327.469 1.432 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000497257296 448011884 /nfs/dbraw/zinc/01/18/84/448011884.db2.gz MWOQPFWFESZAPJ-CVEARBPZSA-N 2 2 327.469 1.432 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000497257296 448011890 /nfs/dbraw/zinc/01/18/90/448011890.db2.gz MWOQPFWFESZAPJ-CVEARBPZSA-N 2 2 327.469 1.432 20 0 EDADLP CC[C@]1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])OCCc2ccccc21 ZINC000570428389 448012720 /nfs/dbraw/zinc/01/27/20/448012720.db2.gz XBVDLXKLUCEHJQ-QFBILLFUSA-N 2 2 346.475 1.149 20 0 EDADLP CC[C@]1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])OCCc2ccccc21 ZINC000570428389 448012727 /nfs/dbraw/zinc/01/27/27/448012727.db2.gz XBVDLXKLUCEHJQ-QFBILLFUSA-N 2 2 346.475 1.149 20 0 EDADLP Cc1[nH]nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000530866996 447974287 /nfs/dbraw/zinc/97/42/87/447974287.db2.gz PPEVRMVSROYNCH-UHFFFAOYSA-N 2 2 333.480 1.707 20 0 EDADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cnn(C)c1 ZINC000531168876 448031828 /nfs/dbraw/zinc/03/18/28/448031828.db2.gz MCPCYMFEDQRLIO-MRXNPFEDSA-N 2 2 347.507 1.590 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000570642223 448041490 /nfs/dbraw/zinc/04/14/90/448041490.db2.gz FCWHCTUOCLVAKQ-ZFWWWQNUSA-N 2 2 326.485 1.536 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000570642223 448041495 /nfs/dbraw/zinc/04/14/95/448041495.db2.gz FCWHCTUOCLVAKQ-ZFWWWQNUSA-N 2 2 326.485 1.536 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCc2c(cccc2N2CCOC2=O)C1)C1CC1 ZINC000497316179 448068081 /nfs/dbraw/zinc/06/80/81/448068081.db2.gz RVSOBVQFAPRQKQ-MRXNPFEDSA-N 2 2 345.443 1.456 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCc2c(cccc2N2CCOC2=O)C1)C1CC1 ZINC000497316179 448068084 /nfs/dbraw/zinc/06/80/84/448068084.db2.gz RVSOBVQFAPRQKQ-MRXNPFEDSA-N 2 2 345.443 1.456 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)C1CC1 ZINC000497316179 448068088 /nfs/dbraw/zinc/06/80/88/448068088.db2.gz RVSOBVQFAPRQKQ-MRXNPFEDSA-N 2 2 345.443 1.456 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)C1CC1 ZINC000497316179 448068090 /nfs/dbraw/zinc/06/80/90/448068090.db2.gz RVSOBVQFAPRQKQ-MRXNPFEDSA-N 2 2 345.443 1.456 20 0 EDADLP CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000531698832 448130748 /nfs/dbraw/zinc/13/07/48/448130748.db2.gz CPLPNDJZQGGICB-UHFFFAOYSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000571893673 448230657 /nfs/dbraw/zinc/23/06/57/448230657.db2.gz WEZXTPWLOALMSU-HZPDHXFCSA-N 2 2 346.475 1.411 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H](C)[N@@H+]2CCc3ccccc3C2)no1 ZINC000561256997 448234911 /nfs/dbraw/zinc/23/49/11/448234911.db2.gz KJNPUOHGPLZARA-CQSZACIVSA-N 2 2 342.443 2.348 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H](C)[N@H+]2CCc3ccccc3C2)no1 ZINC000561256997 448234913 /nfs/dbraw/zinc/23/49/13/448234913.db2.gz KJNPUOHGPLZARA-CQSZACIVSA-N 2 2 342.443 2.348 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@H]1CC12CC[NH2+]CC2 ZINC000572037675 448269628 /nfs/dbraw/zinc/26/96/28/448269628.db2.gz AUUJSVQWRACXTN-OAGGEKHMSA-N 3 2 345.491 1.372 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000515220255 448277761 /nfs/dbraw/zinc/27/77/61/448277761.db2.gz PGJYUCKAYJAYGQ-OAHLLOKOSA-N 2 2 328.420 1.932 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000577306263 448263060 /nfs/dbraw/zinc/26/30/60/448263060.db2.gz WCOYKUPPOSKANR-GOSISDBHSA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000577306263 448263065 /nfs/dbraw/zinc/26/30/65/448263065.db2.gz WCOYKUPPOSKANR-GOSISDBHSA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000577306263 448263069 /nfs/dbraw/zinc/26/30/69/448263069.db2.gz WCOYKUPPOSKANR-GOSISDBHSA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000577306263 448263075 /nfs/dbraw/zinc/26/30/75/448263075.db2.gz WCOYKUPPOSKANR-GOSISDBHSA-N 3 2 338.540 1.103 20 0 EDADLP C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000492763082 448281681 /nfs/dbraw/zinc/28/16/81/448281681.db2.gz IYALQOFWVIZUDO-BUSQMGNYSA-N 2 2 340.427 1.829 20 0 EDADLP C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000492763082 448281687 /nfs/dbraw/zinc/28/16/87/448281687.db2.gz IYALQOFWVIZUDO-BUSQMGNYSA-N 2 2 340.427 1.829 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3sccc3Br)CCN2C1=O ZINC000515339845 448292280 /nfs/dbraw/zinc/29/22/80/448292280.db2.gz XSSZYEZWRPXSKH-SCZZXKLOSA-N 2 2 330.251 1.254 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3sccc3Br)CCN2C1=O ZINC000515339845 448292286 /nfs/dbraw/zinc/29/22/86/448292286.db2.gz XSSZYEZWRPXSKH-SCZZXKLOSA-N 2 2 330.251 1.254 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000577461108 448300269 /nfs/dbraw/zinc/30/02/69/448300269.db2.gz XLOZEZQDXHOVQS-IXDOHACOSA-N 2 2 342.867 1.699 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000577461108 448300273 /nfs/dbraw/zinc/30/02/73/448300273.db2.gz XLOZEZQDXHOVQS-IXDOHACOSA-N 2 2 342.867 1.699 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000577474441 448304600 /nfs/dbraw/zinc/30/46/00/448304600.db2.gz DTPPNEXBHHVVSV-NEPJUHHUSA-N 2 2 333.823 1.739 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C(C)(C)c2c[nH+]c[nH]2)cn1 ZINC000515659066 448339999 /nfs/dbraw/zinc/33/99/99/448339999.db2.gz CEFMENTXTTZTDO-UHFFFAOYSA-N 2 2 341.419 1.346 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000582830245 448349494 /nfs/dbraw/zinc/34/94/94/448349494.db2.gz MLAWADFZBISVRA-HZPDHXFCSA-N 2 2 326.485 1.079 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000582830245 448349497 /nfs/dbraw/zinc/34/94/97/448349497.db2.gz MLAWADFZBISVRA-HZPDHXFCSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000533102525 448358570 /nfs/dbraw/zinc/35/85/70/448358570.db2.gz APIBBRIEZONSOI-CQSZACIVSA-N 2 2 328.420 1.513 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000533102525 448358578 /nfs/dbraw/zinc/35/85/78/448358578.db2.gz APIBBRIEZONSOI-CQSZACIVSA-N 2 2 328.420 1.513 20 0 EDADLP C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000582941345 448382876 /nfs/dbraw/zinc/38/28/76/448382876.db2.gz ALHKHICUZOIBPE-OAHLLOKOSA-N 2 2 339.443 1.900 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000572466414 448384830 /nfs/dbraw/zinc/38/48/30/448384830.db2.gz GYKVKJINNJGLAS-IXDOHACOSA-N 2 2 332.448 1.191 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000572466414 448384837 /nfs/dbraw/zinc/38/48/37/448384837.db2.gz GYKVKJINNJGLAS-IXDOHACOSA-N 2 2 332.448 1.191 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC[C@@H]1COc2ccccc2O1 ZINC000582965287 448391394 /nfs/dbraw/zinc/39/13/94/448391394.db2.gz NZNZIOXQNLVZAC-DNVCBOLYSA-N 2 2 345.443 1.018 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC[C@@H]1COc2ccccc2O1 ZINC000582965287 448391400 /nfs/dbraw/zinc/39/14/00/448391400.db2.gz NZNZIOXQNLVZAC-DNVCBOLYSA-N 2 2 345.443 1.018 20 0 EDADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000591574032 448393416 /nfs/dbraw/zinc/39/34/16/448393416.db2.gz UWRZDWHFYOCVBS-YVSFHVDLSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000591574032 448393420 /nfs/dbraw/zinc/39/34/20/448393420.db2.gz UWRZDWHFYOCVBS-YVSFHVDLSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000591574032 448393422 /nfs/dbraw/zinc/39/34/22/448393422.db2.gz UWRZDWHFYOCVBS-YVSFHVDLSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000591574032 448393428 /nfs/dbraw/zinc/39/34/28/448393428.db2.gz UWRZDWHFYOCVBS-YVSFHVDLSA-N 2 2 340.512 1.373 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000566171855 448404712 /nfs/dbraw/zinc/40/47/12/448404712.db2.gz VPULYDZMICVSNN-CRAIPNDOSA-N 2 2 331.460 1.728 20 0 EDADLP CCN1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000516254511 448404717 /nfs/dbraw/zinc/40/47/17/448404717.db2.gz WJSSJPOUBVKJKY-JKSUJKDBSA-N 2 2 348.495 1.530 20 0 EDADLP CCN1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000516254511 448404722 /nfs/dbraw/zinc/40/47/22/448404722.db2.gz WJSSJPOUBVKJKY-JKSUJKDBSA-N 2 2 348.495 1.530 20 0 EDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NCc3[nH+]ccn3C)cc2)CC1 ZINC000533217452 448376207 /nfs/dbraw/zinc/37/62/07/448376207.db2.gz DGDHMZMJXBVYFI-UHFFFAOYSA-N 2 2 341.459 1.739 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COCc1cccs1 ZINC000566231175 448422636 /nfs/dbraw/zinc/42/26/36/448422636.db2.gz LYWLESIFSSUEET-CABCVRRESA-N 2 2 328.478 1.062 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COCc1cccs1 ZINC000566231175 448422643 /nfs/dbraw/zinc/42/26/43/448422643.db2.gz LYWLESIFSSUEET-CABCVRRESA-N 2 2 328.478 1.062 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCN1CCc2ccccc21 ZINC000577955859 448424951 /nfs/dbraw/zinc/42/49/51/448424951.db2.gz JVDNOULJFVZDFZ-HXUWFJFHSA-N 2 2 342.487 1.241 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCN1CCc2ccccc21 ZINC000577955859 448424958 /nfs/dbraw/zinc/42/49/58/448424958.db2.gz JVDNOULJFVZDFZ-HXUWFJFHSA-N 2 2 342.487 1.241 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000528089127 448430237 /nfs/dbraw/zinc/43/02/37/448430237.db2.gz ZWQLTKPCIJRTIV-GOSISDBHSA-N 2 2 342.443 1.690 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000528179135 448452924 /nfs/dbraw/zinc/45/29/24/448452924.db2.gz SKELNOZDPBFKMY-MRXNPFEDSA-N 2 2 343.431 1.834 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000528179135 448452929 /nfs/dbraw/zinc/45/29/29/448452929.db2.gz SKELNOZDPBFKMY-MRXNPFEDSA-N 2 2 343.431 1.834 20 0 EDADLP Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000566406685 448462794 /nfs/dbraw/zinc/46/27/94/448462794.db2.gz NKAWKHJKSRSWBW-QFBILLFUSA-N 2 2 345.487 1.956 20 0 EDADLP O=C(NCC1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578121480 448465840 /nfs/dbraw/zinc/46/58/40/448465840.db2.gz IYXTVYPIZIRGKC-SFHVURJKSA-N 2 2 346.475 1.186 20 0 EDADLP O=C(NCC1CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578121480 448465844 /nfs/dbraw/zinc/46/58/44/448465844.db2.gz IYXTVYPIZIRGKC-SFHVURJKSA-N 2 2 346.475 1.186 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000566629170 448525517 /nfs/dbraw/zinc/52/55/17/448525517.db2.gz OEBCEOLDSYAXAV-UHFFFAOYSA-N 2 2 333.476 1.585 20 0 EDADLP C[C@H](OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000578358654 448527951 /nfs/dbraw/zinc/52/79/51/448527951.db2.gz HAZVWHNZBCHWGE-VBNZEHGJSA-N 2 2 330.856 1.291 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000528438156 448529286 /nfs/dbraw/zinc/52/92/86/448529286.db2.gz OBVBVKGRCBYAFO-QGZVFWFLSA-N 2 2 328.416 1.069 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000573060814 448531827 /nfs/dbraw/zinc/53/18/27/448531827.db2.gz SVWMYQHVSSNEOC-ZIAGYGMSSA-N 2 2 345.422 1.937 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000536984825 448549163 /nfs/dbraw/zinc/54/91/63/448549163.db2.gz VMCLSTJFWSOQHW-QLFBSQMISA-N 2 2 341.463 2.086 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000536984825 448549168 /nfs/dbraw/zinc/54/91/68/448549168.db2.gz VMCLSTJFWSOQHW-QLFBSQMISA-N 2 2 341.463 2.086 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H](CNC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000573318197 448595253 /nfs/dbraw/zinc/59/52/53/448595253.db2.gz LDVHBJPBTBSGPJ-WOJBJXKFSA-N 2 2 347.503 1.180 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H](CNC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000573318197 448595260 /nfs/dbraw/zinc/59/52/60/448595260.db2.gz LDVHBJPBTBSGPJ-WOJBJXKFSA-N 2 2 347.503 1.180 20 0 EDADLP CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567247104 448648405 /nfs/dbraw/zinc/64/84/05/448648405.db2.gz RBCAMFUEEMCAGZ-IRXDYDNUSA-N 2 2 336.455 1.677 20 0 EDADLP CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567247104 448648411 /nfs/dbraw/zinc/64/84/11/448648411.db2.gz RBCAMFUEEMCAGZ-IRXDYDNUSA-N 2 2 336.455 1.677 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)C1 ZINC000584875582 448662207 /nfs/dbraw/zinc/66/22/07/448662207.db2.gz ROVSGIYVZFMEQM-YLJYHZDGSA-N 2 2 341.455 1.384 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)C1 ZINC000584875582 448662211 /nfs/dbraw/zinc/66/22/11/448662211.db2.gz ROVSGIYVZFMEQM-YLJYHZDGSA-N 2 2 341.455 1.384 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)C1 ZINC000584875582 448662216 /nfs/dbraw/zinc/66/22/16/448662216.db2.gz ROVSGIYVZFMEQM-YLJYHZDGSA-N 2 2 341.455 1.384 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CC(=O)N(CCc4ccccc4)C3=O)C2)C1 ZINC000584875582 448662220 /nfs/dbraw/zinc/66/22/20/448662220.db2.gz ROVSGIYVZFMEQM-YLJYHZDGSA-N 2 2 341.455 1.384 20 0 EDADLP C[C@H](c1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000528677231 448626412 /nfs/dbraw/zinc/62/64/12/448626412.db2.gz AVQGFMRZSRBZBY-PBHICJAKSA-N 2 2 348.447 1.190 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC000517924964 448629534 /nfs/dbraw/zinc/62/95/34/448629534.db2.gz CHKPXJDTFURWMF-PNBKFKSVSA-N 2 2 340.439 1.653 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1cccc(F)c1 ZINC000517924964 448629536 /nfs/dbraw/zinc/62/95/36/448629536.db2.gz CHKPXJDTFURWMF-PNBKFKSVSA-N 2 2 340.439 1.653 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2csc(-c3ccco3)n2)[C@@H](C[NH3+])C1 ZINC000518735622 448704134 /nfs/dbraw/zinc/70/41/34/448704134.db2.gz PDMDEKGMLQGOJU-LBPRGKRZSA-N 2 2 335.433 1.187 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2csc(-c3ccco3)n2)[C@@H](C[NH3+])C1 ZINC000518735622 448704139 /nfs/dbraw/zinc/70/41/39/448704139.db2.gz PDMDEKGMLQGOJU-LBPRGKRZSA-N 2 2 335.433 1.187 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000573786112 448711276 /nfs/dbraw/zinc/71/12/76/448711276.db2.gz YUNSCUOTACPHBU-HOTGVXAUSA-N 2 2 325.416 1.766 20 0 EDADLP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000579103835 448715444 /nfs/dbraw/zinc/71/54/44/448715444.db2.gz VCTRDXQOMMTFPF-INIZCTEOSA-N 2 2 346.431 1.218 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(=O)[nH]c3C)CC2)CC1 ZINC000567579323 448717975 /nfs/dbraw/zinc/71/79/75/448717975.db2.gz QPPDGXFXSBQYRG-UHFFFAOYSA-N 2 2 346.475 1.728 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(=O)[nH]c3C)CC2)CC1 ZINC000567579323 448717977 /nfs/dbraw/zinc/71/79/77/448717977.db2.gz QPPDGXFXSBQYRG-UHFFFAOYSA-N 2 2 346.475 1.728 20 0 EDADLP CN(CCC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1cc[nH+]cc1 ZINC000542787651 448718608 /nfs/dbraw/zinc/71/86/08/448718608.db2.gz BKWWQTLYCNGTAR-UHFFFAOYSA-N 2 2 339.443 1.647 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000519109137 448742067 /nfs/dbraw/zinc/74/20/67/448742067.db2.gz VGTKGTFMUDSACO-DOTOQJQBSA-N 2 2 331.464 1.564 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000519109137 448742069 /nfs/dbraw/zinc/74/20/69/448742069.db2.gz VGTKGTFMUDSACO-DOTOQJQBSA-N 2 2 331.464 1.564 20 0 EDADLP CCOc1ccc(OCCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000519644165 448809870 /nfs/dbraw/zinc/80/98/70/448809870.db2.gz LJTNXVZCGMFAMN-HNNXBMFYSA-N 2 2 335.448 1.346 20 0 EDADLP CCOc1ccc(OCCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000519644165 448809876 /nfs/dbraw/zinc/80/98/76/448809876.db2.gz LJTNXVZCGMFAMN-HNNXBMFYSA-N 2 2 335.448 1.346 20 0 EDADLP FC(F)Cn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cn1 ZINC000519652009 448811880 /nfs/dbraw/zinc/81/18/80/448811880.db2.gz PSFNBIZXQMZPSE-OAHLLOKOSA-N 2 2 328.407 1.835 20 0 EDADLP FC(F)Cn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cn1 ZINC000519652009 448811882 /nfs/dbraw/zinc/81/18/82/448811882.db2.gz PSFNBIZXQMZPSE-OAHLLOKOSA-N 2 2 328.407 1.835 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529301651 448812700 /nfs/dbraw/zinc/81/27/00/448812700.db2.gz UULWWCVKOCNUCE-KRWDZBQOSA-N 3 2 349.523 1.129 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2csc(Br)c2)[C@H](C[NH3+])C1 ZINC000574058048 448781880 /nfs/dbraw/zinc/78/18/80/448781880.db2.gz AKSMZUGMRTXARA-SNVBAGLBSA-N 2 2 347.282 1.295 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2csc(Br)c2)[C@H](C[NH3+])C1 ZINC000574058048 448781883 /nfs/dbraw/zinc/78/18/83/448781883.db2.gz AKSMZUGMRTXARA-SNVBAGLBSA-N 2 2 347.282 1.295 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2csc(Br)c2)[C@@H](C[NH3+])C1 ZINC000574058046 448782504 /nfs/dbraw/zinc/78/25/04/448782504.db2.gz AKSMZUGMRTXARA-JTQLQIEISA-N 2 2 347.282 1.295 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2csc(Br)c2)[C@@H](C[NH3+])C1 ZINC000574058046 448782510 /nfs/dbraw/zinc/78/25/10/448782510.db2.gz AKSMZUGMRTXARA-JTQLQIEISA-N 2 2 347.282 1.295 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529329741 448828160 /nfs/dbraw/zinc/82/81/60/448828160.db2.gz ZXFYCRYTRUNVGC-HUUCEWRRSA-N 2 2 347.463 1.067 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529329741 448828166 /nfs/dbraw/zinc/82/81/66/448828166.db2.gz ZXFYCRYTRUNVGC-HUUCEWRRSA-N 2 2 347.463 1.067 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)n1C ZINC000568254677 448846475 /nfs/dbraw/zinc/84/64/75/448846475.db2.gz HVGKOCHGAZSJAR-CQSZACIVSA-N 2 2 338.839 1.669 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cn1cc[nH+]c1 ZINC000579661191 448842669 /nfs/dbraw/zinc/84/26/69/448842669.db2.gz RZHHFQQXNPBTHD-KRWDZBQOSA-N 2 2 327.432 1.791 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cn1cc[nH+]c1 ZINC000579661191 448842673 /nfs/dbraw/zinc/84/26/73/448842673.db2.gz RZHHFQQXNPBTHD-KRWDZBQOSA-N 2 2 327.432 1.791 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCCC[C@@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000529369601 448844564 /nfs/dbraw/zinc/84/45/64/448844564.db2.gz YYSBBIJIYXUTEV-CQSZACIVSA-N 2 2 334.468 1.843 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C[C@@H](C)O1 ZINC000519817760 448850878 /nfs/dbraw/zinc/85/08/78/448850878.db2.gz IDDKQEBYPZVRHS-MDZRGWNJSA-N 2 2 344.459 1.432 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471173 448851510 /nfs/dbraw/zinc/85/15/10/448851510.db2.gz FMDLKMIRKNDMGG-CZUORRHYSA-N 2 2 336.480 1.607 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471173 448851514 /nfs/dbraw/zinc/85/15/14/448851514.db2.gz FMDLKMIRKNDMGG-CZUORRHYSA-N 2 2 336.480 1.607 20 0 EDADLP COC(=O)c1c(NC(=O)C[N@H+](C)CCC[NH3+])sc2c1CCCC2 ZINC000592473781 448851938 /nfs/dbraw/zinc/85/19/38/448851938.db2.gz OQRRXUDLBQGDLV-UHFFFAOYSA-N 2 2 339.461 1.633 20 0 EDADLP COC(=O)c1c(NC(=O)C[N@@H+](C)CCC[NH3+])sc2c1CCCC2 ZINC000592473781 448851941 /nfs/dbraw/zinc/85/19/41/448851941.db2.gz OQRRXUDLBQGDLV-UHFFFAOYSA-N 2 2 339.461 1.633 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581429 448907839 /nfs/dbraw/zinc/90/78/39/448907839.db2.gz KHOHNFTZCWHXMM-NWDGAFQWSA-N 2 2 330.354 1.763 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581429 448907842 /nfs/dbraw/zinc/90/78/42/448907842.db2.gz KHOHNFTZCWHXMM-NWDGAFQWSA-N 2 2 330.354 1.763 20 0 EDADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCc2ccccc2C1 ZINC000579974287 448926803 /nfs/dbraw/zinc/92/68/03/448926803.db2.gz BBHOQXVHLFPIMB-UHFFFAOYSA-N 2 2 339.443 1.507 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000579832255 448889605 /nfs/dbraw/zinc/88/96/05/448889605.db2.gz SJEKMFIHKBULEK-MGPQQGTHSA-N 2 2 332.448 1.452 20 0 EDADLP Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)nc1 ZINC000574514306 448891617 /nfs/dbraw/zinc/89/16/17/448891617.db2.gz VLAJNIFDCAKXSG-MRXNPFEDSA-N 2 2 332.448 1.373 20 0 EDADLP Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)nc1 ZINC000574514306 448891624 /nfs/dbraw/zinc/89/16/24/448891624.db2.gz VLAJNIFDCAKXSG-MRXNPFEDSA-N 2 2 332.448 1.373 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1CCSC1 ZINC000579837962 448892005 /nfs/dbraw/zinc/89/20/05/448892005.db2.gz APGICORHXUUGQL-ZBFHGGJFSA-N 2 2 330.457 1.423 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)nc(C(C)C)[nH+]1 ZINC000529844050 448981553 /nfs/dbraw/zinc/98/15/53/448981553.db2.gz ATQXLJACSPUAPY-AWEZNQCLSA-N 2 2 342.447 1.896 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000521643977 449005771 /nfs/dbraw/zinc/00/57/71/449005771.db2.gz UOXCYQZYSKEQOH-CQSZACIVSA-N 2 2 343.479 2.038 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000575056509 449024731 /nfs/dbraw/zinc/02/47/31/449024731.db2.gz DOKFDWZCOAFCAS-IBGZPJMESA-N 3 2 344.503 1.670 20 0 EDADLP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC)s1 ZINC000575076004 449030645 /nfs/dbraw/zinc/03/06/45/449030645.db2.gz VYUIUSLWYINXOS-KBPBESRZSA-N 2 2 329.510 1.946 20 0 EDADLP CCc1nc(C)c([C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)CCOC)s1 ZINC000575076004 449030648 /nfs/dbraw/zinc/03/06/48/449030648.db2.gz VYUIUSLWYINXOS-KBPBESRZSA-N 2 2 329.510 1.946 20 0 EDADLP CCc1nc(C)c([C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC)s1 ZINC000575076004 449030653 /nfs/dbraw/zinc/03/06/53/449030653.db2.gz VYUIUSLWYINXOS-KBPBESRZSA-N 2 2 329.510 1.946 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000575155998 449050650 /nfs/dbraw/zinc/05/06/50/449050650.db2.gz YHZALOYQADUYBW-GDBMZVCRSA-N 2 2 331.464 1.869 20 0 EDADLP C[C@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000548715549 449088342 /nfs/dbraw/zinc/08/83/42/449088342.db2.gz NAKUBWYNKBGPRQ-OAHLLOKOSA-N 2 2 339.443 1.505 20 0 EDADLP C[C@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000548715549 449088348 /nfs/dbraw/zinc/08/83/48/449088348.db2.gz NAKUBWYNKBGPRQ-OAHLLOKOSA-N 2 2 339.443 1.505 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)on1 ZINC000590594101 449210446 /nfs/dbraw/zinc/21/04/46/449210446.db2.gz MSIBFAQPHJWPPQ-CYBMUJFWSA-N 2 2 337.420 1.442 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604646997 449270134 /nfs/dbraw/zinc/27/01/34/449270134.db2.gz ZDYGLCQIUUWYKD-MRXNPFEDSA-N 2 2 330.476 1.985 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604646997 449270137 /nfs/dbraw/zinc/27/01/37/449270137.db2.gz ZDYGLCQIUUWYKD-MRXNPFEDSA-N 2 2 330.476 1.985 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000602131048 449369175 /nfs/dbraw/zinc/36/91/75/449369175.db2.gz RDSJVARGGQLMEA-CQSZACIVSA-N 2 2 336.436 1.102 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000602131048 449369179 /nfs/dbraw/zinc/36/91/79/449369179.db2.gz RDSJVARGGQLMEA-CQSZACIVSA-N 2 2 336.436 1.102 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C[NH+]1CCOCC1 ZINC000606717640 449515721 /nfs/dbraw/zinc/51/57/21/449515721.db2.gz HCOHYKHOVOLPAU-HOTGVXAUSA-N 2 2 335.452 1.198 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000602415743 449572587 /nfs/dbraw/zinc/57/25/87/449572587.db2.gz UQRSLMXBVAUENW-UHFFFAOYSA-N 2 2 349.504 1.398 20 0 EDADLP CSCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N(C)C ZINC000594525632 449562225 /nfs/dbraw/zinc/56/22/25/449562225.db2.gz XMNFHPUEAXGCIC-CVEARBPZSA-N 2 2 343.537 1.429 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607419314 449614621 /nfs/dbraw/zinc/61/46/21/449614621.db2.gz KEJLECSOPUMSNN-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607419314 449614622 /nfs/dbraw/zinc/61/46/22/449614622.db2.gz KEJLECSOPUMSNN-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[S@](=O)C1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[NH2+]CC1 ZINC000602470679 449616614 /nfs/dbraw/zinc/61/66/14/449616614.db2.gz CBUYDVPKBKVOEL-QHCPKHFHSA-N 2 2 332.429 1.312 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000612399645 449678576 /nfs/dbraw/zinc/67/85/76/449678576.db2.gz DQONUEJSNZWZGI-RBSFLKMASA-N 2 2 340.427 1.879 20 0 EDADLP CCN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CC[N@H+](C)C1 ZINC000617551517 449682291 /nfs/dbraw/zinc/68/22/91/449682291.db2.gz SXCSRXNRWXZESF-MRXNPFEDSA-N 2 2 332.448 1.080 20 0 EDADLP CCN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CC[N@@H+](C)C1 ZINC000617551517 449682298 /nfs/dbraw/zinc/68/22/98/449682298.db2.gz SXCSRXNRWXZESF-MRXNPFEDSA-N 2 2 332.448 1.080 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000612429946 449698973 /nfs/dbraw/zinc/69/89/73/449698973.db2.gz BVIIVYIJDHRBKR-ARFHVFGLSA-N 2 2 332.448 1.237 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000614610352 449709099 /nfs/dbraw/zinc/70/90/99/449709099.db2.gz KBWBLUKLWOIIDJ-BRWVUGGUSA-N 2 2 342.443 1.951 20 0 EDADLP C[NH+]1CCC([NH2+][C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000601160219 449725771 /nfs/dbraw/zinc/72/57/71/449725771.db2.gz VDOOHTMFFIETHS-OAHLLOKOSA-N 2 2 339.480 1.393 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000601254225 449777293 /nfs/dbraw/zinc/77/72/93/449777293.db2.gz MFBHIXCOIKOIQM-HNNXBMFYSA-N 2 2 333.480 1.934 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617696363 449740228 /nfs/dbraw/zinc/74/02/28/449740228.db2.gz HSLOQXLDELNVCS-RDTXWAMCSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617696363 449740234 /nfs/dbraw/zinc/74/02/34/449740234.db2.gz HSLOQXLDELNVCS-RDTXWAMCSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617696363 449740241 /nfs/dbraw/zinc/74/02/41/449740241.db2.gz HSLOQXLDELNVCS-RDTXWAMCSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617696363 449740246 /nfs/dbraw/zinc/74/02/46/449740246.db2.gz HSLOQXLDELNVCS-RDTXWAMCSA-N 2 2 342.443 1.471 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617729510 449787910 /nfs/dbraw/zinc/78/79/10/449787910.db2.gz DTMNXRWYAQIKJV-KGLIPLIRSA-N 2 2 330.432 1.570 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617729510 449787917 /nfs/dbraw/zinc/78/79/17/449787917.db2.gz DTMNXRWYAQIKJV-KGLIPLIRSA-N 2 2 330.432 1.570 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)Cc1ccccc1Cl ZINC000617765029 449826028 /nfs/dbraw/zinc/82/60/28/449826028.db2.gz QUBXLJPHGUCRIC-INIZCTEOSA-N 2 2 341.883 1.243 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)Cc1ccccc1Cl ZINC000617765029 449826036 /nfs/dbraw/zinc/82/60/36/449826036.db2.gz QUBXLJPHGUCRIC-INIZCTEOSA-N 2 2 341.883 1.243 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612970134 449963928 /nfs/dbraw/zinc/96/39/28/449963928.db2.gz HSMQIRAGPIAMFV-DOTOQJQBSA-N 2 2 343.475 1.612 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC(=O)NC1CCCCC1 ZINC000609157321 449970814 /nfs/dbraw/zinc/97/08/14/449970814.db2.gz CYLMIGPLEMMCDN-HNNXBMFYSA-N 2 2 333.436 1.679 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC(=O)NC1CCCCC1 ZINC000609157321 449970818 /nfs/dbraw/zinc/97/08/18/449970818.db2.gz CYLMIGPLEMMCDN-HNNXBMFYSA-N 2 2 333.436 1.679 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000597406524 450004629 /nfs/dbraw/zinc/00/46/29/450004629.db2.gz AVOBTSDFTYIYSW-INIZCTEOSA-N 2 2 337.468 1.055 20 0 EDADLP CC(C)C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000615225710 450008931 /nfs/dbraw/zinc/00/89/31/450008931.db2.gz GLBWQPFLZKEDBM-CVEARBPZSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000615225710 450008936 /nfs/dbraw/zinc/00/89/36/450008936.db2.gz GLBWQPFLZKEDBM-CVEARBPZSA-N 2 2 349.479 1.036 20 0 EDADLP COc1ccc([C@@H](NC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000613211304 450082468 /nfs/dbraw/zinc/08/24/68/450082468.db2.gz UCPHDVJBWAZCPY-FCEWJHQRSA-N 2 2 329.444 1.414 20 0 EDADLP COc1ccc([C@@H](NC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000613211304 450082475 /nfs/dbraw/zinc/08/24/75/450082475.db2.gz UCPHDVJBWAZCPY-FCEWJHQRSA-N 2 2 329.444 1.414 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595545553 450222223 /nfs/dbraw/zinc/22/22/23/450222223.db2.gz JHCVXQRWEQBGEO-OAGGEKHMSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595545553 450222226 /nfs/dbraw/zinc/22/22/26/450222226.db2.gz JHCVXQRWEQBGEO-OAGGEKHMSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595545553 450222229 /nfs/dbraw/zinc/22/22/29/450222229.db2.gz JHCVXQRWEQBGEO-OAGGEKHMSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595545553 450222233 /nfs/dbraw/zinc/22/22/33/450222233.db2.gz JHCVXQRWEQBGEO-OAGGEKHMSA-N 2 2 328.497 1.987 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552691 450226766 /nfs/dbraw/zinc/22/67/66/450226766.db2.gz ZKOXBKHILMSUSO-NSHDSACASA-N 2 2 329.404 1.401 20 0 EDADLP COC(=O)c1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000603319601 450241859 /nfs/dbraw/zinc/24/18/59/450241859.db2.gz JWEAXQUSSPFRQT-YIONKMFJSA-N 2 2 345.447 1.010 20 0 EDADLP COC(=O)c1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000603319601 450241860 /nfs/dbraw/zinc/24/18/60/450241860.db2.gz JWEAXQUSSPFRQT-YIONKMFJSA-N 2 2 345.447 1.010 20 0 EDADLP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC000619967497 450385034 /nfs/dbraw/zinc/38/50/34/450385034.db2.gz KQVMIXZXLHPOEZ-DJIMGWMZSA-N 2 2 344.459 1.205 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2c[nH+]c(N(C)C)n2C)o1 ZINC000603889112 450367897 /nfs/dbraw/zinc/36/78/97/450367897.db2.gz VBGIASMQJBHYCR-UHFFFAOYSA-N 2 2 333.436 1.851 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000623259780 450467708 /nfs/dbraw/zinc/46/77/08/450467708.db2.gz KTXRHUVTDLICAJ-SNVBAGLBSA-N 2 2 344.325 1.756 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)CC2 ZINC000625868272 450524518 /nfs/dbraw/zinc/52/45/18/450524518.db2.gz VTTHDMVQUITBAE-HOTGVXAUSA-N 2 2 332.448 1.077 20 0 EDADLP CO[C@H]1C[C@@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000623564787 450543661 /nfs/dbraw/zinc/54/36/61/450543661.db2.gz QUYSGDOQTGPPTB-KDYLLFBJSA-N 2 2 338.496 1.269 20 0 EDADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc2cccnc12 ZINC000623619261 450552911 /nfs/dbraw/zinc/55/29/11/450552911.db2.gz ZESOKNRPDDXTDZ-KRWDZBQOSA-N 2 2 326.444 1.973 20 0 EDADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc2cccnc12 ZINC000623619261 450552913 /nfs/dbraw/zinc/55/29/13/450552913.db2.gz ZESOKNRPDDXTDZ-KRWDZBQOSA-N 2 2 326.444 1.973 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623723494 450573085 /nfs/dbraw/zinc/57/30/85/450573085.db2.gz SEEPCGFQETZWDP-UHFFFAOYSA-N 2 2 345.451 1.825 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ncon3)C2)CC[N@@H+]1C ZINC000633000162 450602803 /nfs/dbraw/zinc/60/28/03/450602803.db2.gz YGYUNLRKMHSFRJ-SOUVJXGZSA-N 2 2 335.452 1.128 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ncon3)C2)CC[N@H+]1C ZINC000633000162 450602811 /nfs/dbraw/zinc/60/28/11/450602811.db2.gz YGYUNLRKMHSFRJ-SOUVJXGZSA-N 2 2 335.452 1.128 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)CC[NH+]1C ZINC000633000162 450602816 /nfs/dbraw/zinc/60/28/16/450602816.db2.gz YGYUNLRKMHSFRJ-SOUVJXGZSA-N 2 2 335.452 1.128 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)CC[NH+]1C ZINC000633000162 450602821 /nfs/dbraw/zinc/60/28/21/450602821.db2.gz YGYUNLRKMHSFRJ-SOUVJXGZSA-N 2 2 335.452 1.128 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000629414555 450659631 /nfs/dbraw/zinc/65/96/31/450659631.db2.gz CAIBRURBTDJUQS-OAHLLOKOSA-N 2 2 346.475 1.618 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000629414555 450659637 /nfs/dbraw/zinc/65/96/37/450659637.db2.gz CAIBRURBTDJUQS-OAHLLOKOSA-N 2 2 346.475 1.618 20 0 EDADLP COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000631580365 450664797 /nfs/dbraw/zinc/66/47/97/450664797.db2.gz OZBXDWHZRFQKFP-SFHVURJKSA-N 2 2 331.460 1.825 20 0 EDADLP Nc1nc(N)[nH+]c(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000624041916 450681905 /nfs/dbraw/zinc/68/19/05/450681905.db2.gz MOODHGHFHZHOBB-CABCVRRESA-N 2 2 339.447 1.188 20 0 EDADLP Nc1nc(N)[nH+]c(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000624041916 450681909 /nfs/dbraw/zinc/68/19/09/450681909.db2.gz MOODHGHFHZHOBB-CABCVRRESA-N 2 2 339.447 1.188 20 0 EDADLP [NH3+]C1(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CCOCC1 ZINC000629524520 450724945 /nfs/dbraw/zinc/72/49/45/450724945.db2.gz NSEZUHATCAWNSO-ZDUSSCGKSA-N 2 2 328.409 1.142 20 0 EDADLP COc1ncc(Br)cc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000629523858 450725075 /nfs/dbraw/zinc/72/50/75/450725075.db2.gz KCEQZYQZBBHCKD-MFKMUULPSA-N 2 2 344.253 1.709 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624179161 450735660 /nfs/dbraw/zinc/73/56/60/450735660.db2.gz OVTKHRHQORAEBV-AWEZNQCLSA-N 2 2 327.432 2.387 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629567171 450738886 /nfs/dbraw/zinc/73/88/86/450738886.db2.gz XLSTUKNXEJQRIT-UONOGXRCSA-N 2 2 329.366 1.762 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629567171 450738888 /nfs/dbraw/zinc/73/88/88/450738888.db2.gz XLSTUKNXEJQRIT-UONOGXRCSA-N 2 2 329.366 1.762 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)CC[C@@H]1C(F)(F)F ZINC000629569474 450741365 /nfs/dbraw/zinc/74/13/65/450741365.db2.gz WZDLNPHRNHCLJN-YPMHNXCESA-N 2 2 340.349 1.654 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)CC[C@@H]1C(F)(F)F ZINC000629569474 450741366 /nfs/dbraw/zinc/74/13/66/450741366.db2.gz WZDLNPHRNHCLJN-YPMHNXCESA-N 2 2 340.349 1.654 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000629572655 450742688 /nfs/dbraw/zinc/74/26/88/450742688.db2.gz ZZBAOOHMJFUONE-UHFFFAOYSA-N 2 2 337.855 1.803 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000629572655 450742692 /nfs/dbraw/zinc/74/26/92/450742692.db2.gz ZZBAOOHMJFUONE-UHFFFAOYSA-N 2 2 337.855 1.803 20 0 EDADLP Cn1cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c(-c2cccs2)n1 ZINC000629653134 450772592 /nfs/dbraw/zinc/77/25/92/450772592.db2.gz OATITDMKHFNGIH-UHFFFAOYSA-N 2 2 330.417 1.393 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NCCc1c(F)cccc1F)C2 ZINC000629585451 450750373 /nfs/dbraw/zinc/75/03/73/450750373.db2.gz VHTVAGJQDXMJKW-HDICACEKSA-N 2 2 337.414 1.555 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NCCc1c(F)cccc1F)C2 ZINC000629585451 450750375 /nfs/dbraw/zinc/75/03/75/450750375.db2.gz VHTVAGJQDXMJKW-HDICACEKSA-N 2 2 337.414 1.555 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@H]1C[NH3+] ZINC000631841212 450810782 /nfs/dbraw/zinc/81/07/82/450810782.db2.gz ZRHXJGXBXOYZCY-HUUCEWRRSA-N 2 2 331.464 1.537 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@H]1C[NH3+] ZINC000631841212 450810789 /nfs/dbraw/zinc/81/07/89/450810789.db2.gz ZRHXJGXBXOYZCY-HUUCEWRRSA-N 2 2 331.464 1.537 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1C[NH3+] ZINC000631842580 450812131 /nfs/dbraw/zinc/81/21/31/450812131.db2.gz CEJGCPMPFXSLKA-CHWSQXEVSA-N 2 2 330.432 1.277 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1C[NH3+] ZINC000631842580 450812136 /nfs/dbraw/zinc/81/21/36/450812136.db2.gz CEJGCPMPFXSLKA-CHWSQXEVSA-N 2 2 330.432 1.277 20 0 EDADLP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000631863726 450833043 /nfs/dbraw/zinc/83/30/43/450833043.db2.gz BSWJOXYCKVGZBI-UHFFFAOYSA-N 2 2 333.476 1.619 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1)c1ccccc1 ZINC000631866570 450835498 /nfs/dbraw/zinc/83/54/98/450835498.db2.gz RTGZRTLWIDJXAJ-HOTGVXAUSA-N 2 2 333.476 1.341 20 0 EDADLP COc1cccc(-c2nc(C[N@H+](C)CCN3CC[NH2+]CC3)co2)c1 ZINC000631821999 450798595 /nfs/dbraw/zinc/79/85/95/450798595.db2.gz PQPMGQALDJXDAD-UHFFFAOYSA-N 2 2 330.432 1.687 20 0 EDADLP COc1cccc(-c2nc(C[N@@H+](C)CCN3CC[NH2+]CC3)co2)c1 ZINC000631821999 450798598 /nfs/dbraw/zinc/79/85/98/450798598.db2.gz PQPMGQALDJXDAD-UHFFFAOYSA-N 2 2 330.432 1.687 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886894 450848367 /nfs/dbraw/zinc/84/83/67/450848367.db2.gz KLYHXSHIMIEVDQ-HKUYNNGSSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886894 450848371 /nfs/dbraw/zinc/84/83/71/450848371.db2.gz KLYHXSHIMIEVDQ-HKUYNNGSSA-N 2 2 345.487 1.954 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1=O ZINC000631888521 450850856 /nfs/dbraw/zinc/85/08/56/450850856.db2.gz WTARJXBEOGPGPA-UXLLHSPISA-N 2 2 329.444 1.874 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)C1=O ZINC000631888521 450850861 /nfs/dbraw/zinc/85/08/61/450850861.db2.gz WTARJXBEOGPGPA-UXLLHSPISA-N 2 2 329.444 1.874 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631890171 450850965 /nfs/dbraw/zinc/85/09/65/450850965.db2.gz NBSUPOZRKWJUEA-CEXWTWQISA-N 3 2 344.503 1.479 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631890171 450850969 /nfs/dbraw/zinc/85/09/69/450850969.db2.gz NBSUPOZRKWJUEA-CEXWTWQISA-N 3 2 344.503 1.479 20 0 EDADLP C[NH2+]C1(CNC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CCC1 ZINC000630001654 450945348 /nfs/dbraw/zinc/94/53/48/450945348.db2.gz LSFWENMFCAHYCH-UHFFFAOYSA-N 2 2 339.443 2.269 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000633650189 450961622 /nfs/dbraw/zinc/96/16/22/450961622.db2.gz PEWADZCOAIRQOV-KRWDZBQOSA-N 2 2 340.427 1.748 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000633650189 450961627 /nfs/dbraw/zinc/96/16/27/450961627.db2.gz PEWADZCOAIRQOV-KRWDZBQOSA-N 2 2 340.427 1.748 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000626865130 450968687 /nfs/dbraw/zinc/96/86/87/450968687.db2.gz PHYGZMNFIUGSCM-LSDHHAIUSA-N 2 2 341.415 1.282 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)ccc2n1C ZINC000626891067 450987999 /nfs/dbraw/zinc/98/79/99/450987999.db2.gz XEAQHMVNPTXZFJ-GXFFZTMASA-N 2 2 329.404 1.077 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C[NH2+]1 ZINC000626931475 451014780 /nfs/dbraw/zinc/01/47/80/451014780.db2.gz GKFSHEKVXGWTMQ-YCPHGPKFSA-N 2 2 347.463 1.246 20 0 EDADLP Cc1cccn2cc(CNC(=O)C(C)(C)C[NH+]3CCOCC3)[nH+]c12 ZINC000635538422 451034256 /nfs/dbraw/zinc/03/42/56/451034256.db2.gz QVPAWDIAJOWHNX-UHFFFAOYSA-N 2 2 330.432 1.617 20 0 EDADLP CN(C(=O)Cc1nnc[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101170 451037367 /nfs/dbraw/zinc/03/73/67/451037367.db2.gz QOYCTMVAYSVZDO-HOTGVXAUSA-N 2 2 348.495 1.143 20 0 EDADLP CN(C(=O)Cc1nnc[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101170 451037374 /nfs/dbraw/zinc/03/73/74/451037374.db2.gz QOYCTMVAYSVZDO-HOTGVXAUSA-N 2 2 348.495 1.143 20 0 EDADLP CC(C)C[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)n1cc[nH+]c1 ZINC000635543801 451039965 /nfs/dbraw/zinc/03/99/65/451039965.db2.gz IRLFWTAWLCYRPR-INIZCTEOSA-N 2 2 349.479 1.139 20 0 EDADLP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627006474 451070563 /nfs/dbraw/zinc/07/05/63/451070563.db2.gz GDEXUCTUJSGHKC-LSDHHAIUSA-N 2 2 326.391 1.700 20 0 EDADLP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627006474 451070569 /nfs/dbraw/zinc/07/05/69/451070569.db2.gz GDEXUCTUJSGHKC-LSDHHAIUSA-N 2 2 326.391 1.700 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[C@H](C)O1 ZINC000632118216 451048427 /nfs/dbraw/zinc/04/84/27/451048427.db2.gz JVZJEIPLDIUBGI-ROELVQCISA-N 2 2 335.492 1.569 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[C@H](C)O1 ZINC000632118216 451048433 /nfs/dbraw/zinc/04/84/33/451048433.db2.gz JVZJEIPLDIUBGI-ROELVQCISA-N 2 2 335.492 1.569 20 0 EDADLP Cc1cc(NCCNC(=O)NCC2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627067261 451109269 /nfs/dbraw/zinc/10/92/69/451109269.db2.gz APAZHRIYPQLKKX-UHFFFAOYSA-N 2 2 334.468 1.619 20 0 EDADLP Cc1cn2ccc(C(=O)NCCN3CCC([NH+](C)C)CC3)cc2[nH+]1 ZINC000635667759 451152183 /nfs/dbraw/zinc/15/21/83/451152183.db2.gz OLZVCHKGVASXHB-UHFFFAOYSA-N 2 2 329.448 1.399 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000627236030 451202686 /nfs/dbraw/zinc/20/26/86/451202686.db2.gz CLXXTXJQIXXOBR-DOTOQJQBSA-N 2 2 332.448 1.143 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(C(=O)C4CC4)CC3)c2)CC1 ZINC000634194388 451231498 /nfs/dbraw/zinc/23/14/98/451231498.db2.gz QODTUUBAJHWYQJ-UHFFFAOYSA-N 2 2 328.416 1.531 20 0 EDADLP CO[C@@H]1CCC[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000634193011 451228458 /nfs/dbraw/zinc/22/84/58/451228458.db2.gz CBQYFTAHCQPFQP-GDBMZVCRSA-N 2 2 332.448 1.977 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)[C@@H]2C1 ZINC000635780140 451236021 /nfs/dbraw/zinc/23/60/21/451236021.db2.gz PQCKLBWOATXPJJ-CZUORRHYSA-N 2 2 326.400 1.744 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)[C@@H]2C1 ZINC000635780140 451236023 /nfs/dbraw/zinc/23/60/23/451236023.db2.gz PQCKLBWOATXPJJ-CZUORRHYSA-N 2 2 326.400 1.744 20 0 EDADLP C[NH+](C)CCN1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630572793 451253421 /nfs/dbraw/zinc/25/34/21/451253421.db2.gz MYWGGPUCAOEEAH-UHFFFAOYSA-N 2 2 341.459 1.121 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000636536812 451278851 /nfs/dbraw/zinc/27/88/51/451278851.db2.gz SECZPCVIHFTBQJ-OAHLLOKOSA-N 2 2 343.431 1.248 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N@@H+]1CCc2sccc2C1 ZINC000636588712 451329970 /nfs/dbraw/zinc/32/99/70/451329970.db2.gz LTGDIAUYHRXQKU-TZMCWYRMSA-N 2 2 345.472 1.615 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N@H+]1CCc2sccc2C1 ZINC000636588712 451329975 /nfs/dbraw/zinc/32/99/75/451329975.db2.gz LTGDIAUYHRXQKU-TZMCWYRMSA-N 2 2 345.472 1.615 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C3(C)C)ccn12 ZINC000640510031 451359993 /nfs/dbraw/zinc/35/99/93/451359993.db2.gz DZKNEGJFOSYLEH-HZPDHXFCSA-N 2 2 342.443 1.872 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638280894 451399837 /nfs/dbraw/zinc/39/98/37/451399837.db2.gz FVTUGIRHCWQGRW-RVKKMQEKSA-N 2 2 349.475 1.133 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638280894 451399843 /nfs/dbraw/zinc/39/98/43/451399843.db2.gz FVTUGIRHCWQGRW-RVKKMQEKSA-N 2 2 349.475 1.133 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NC[C@H]3COCC[N@H+]3C)CC2)[nH+]c1 ZINC000628919159 451482866 /nfs/dbraw/zinc/48/28/66/451482866.db2.gz SFGWHVFHBAFECF-INIZCTEOSA-N 2 2 332.448 1.053 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NC[C@H]3COCC[N@@H+]3C)CC2)[nH+]c1 ZINC000628919159 451482870 /nfs/dbraw/zinc/48/28/70/451482870.db2.gz SFGWHVFHBAFECF-INIZCTEOSA-N 2 2 332.448 1.053 20 0 EDADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640600367 451445214 /nfs/dbraw/zinc/44/52/14/451445214.db2.gz OUQAVVZWPZJKNT-UHFFFAOYSA-N 2 2 336.484 1.495 20 0 EDADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640600367 451445218 /nfs/dbraw/zinc/44/52/18/451445218.db2.gz OUQAVVZWPZJKNT-UHFFFAOYSA-N 2 2 336.484 1.495 20 0 EDADLP CN(C)c1cc(NC(=O)N(C)CCCN(C)CC[NH+](C)C)cc[nH+]1 ZINC000640600367 451445221 /nfs/dbraw/zinc/44/52/21/451445221.db2.gz OUQAVVZWPZJKNT-UHFFFAOYSA-N 2 2 336.484 1.495 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(Cc4ccco4)C3)C2)CC1 ZINC000636790785 451510799 /nfs/dbraw/zinc/51/07/99/451510799.db2.gz BOGMUCOCSSLOIU-INIZCTEOSA-N 2 2 346.475 1.632 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(Cc4ccco4)C3)C2)CC1 ZINC000636790785 451510803 /nfs/dbraw/zinc/51/08/03/451510803.db2.gz BOGMUCOCSSLOIU-INIZCTEOSA-N 2 2 346.475 1.632 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@]34C[C@@H]3COC4(C)C)C2)CC1 ZINC000636791053 451511069 /nfs/dbraw/zinc/51/10/69/451511069.db2.gz CRRSOHNFZMWQEN-GLJUWKHASA-N 2 2 336.480 1.022 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@]34C[C@@H]3COC4(C)C)C2)CC1 ZINC000636791053 451511074 /nfs/dbraw/zinc/51/10/74/451511074.db2.gz CRRSOHNFZMWQEN-GLJUWKHASA-N 2 2 336.480 1.022 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000638447582 451520586 /nfs/dbraw/zinc/52/05/86/451520586.db2.gz GMXJOEKHTBCGBP-HHXXYDBFSA-N 2 2 331.460 1.486 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000638447582 451520591 /nfs/dbraw/zinc/52/05/91/451520591.db2.gz GMXJOEKHTBCGBP-HHXXYDBFSA-N 2 2 331.460 1.486 20 0 EDADLP COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)sn1 ZINC000638483168 451537049 /nfs/dbraw/zinc/53/70/49/451537049.db2.gz ZTSITCDBPRTMOH-CYBMUJFWSA-N 2 2 326.466 1.184 20 0 EDADLP COc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)sn1 ZINC000638483168 451537053 /nfs/dbraw/zinc/53/70/53/451537053.db2.gz ZTSITCDBPRTMOH-CYBMUJFWSA-N 2 2 326.466 1.184 20 0 EDADLP c1cnn(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000631049025 451553819 /nfs/dbraw/zinc/55/38/19/451553819.db2.gz QODMVVQZLWBTHK-UHFFFAOYSA-N 2 2 330.432 1.384 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000631052511 451556547 /nfs/dbraw/zinc/55/65/47/451556547.db2.gz UZUSDNOUGORZNS-SFHVURJKSA-N 2 2 334.460 1.914 20 0 EDADLP Cc1nc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631060852 451561635 /nfs/dbraw/zinc/56/16/35/451561635.db2.gz XFKUDACLLPXYGV-ZDUSSCGKSA-N 2 2 326.448 2.028 20 0 EDADLP Cc1nc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631060852 451561638 /nfs/dbraw/zinc/56/16/38/451561638.db2.gz XFKUDACLLPXYGV-ZDUSSCGKSA-N 2 2 326.448 2.028 20 0 EDADLP Cc1nc(N)nc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000631060852 451561642 /nfs/dbraw/zinc/56/16/42/451561642.db2.gz XFKUDACLLPXYGV-ZDUSSCGKSA-N 2 2 326.448 2.028 20 0 EDADLP Cc1nc(N)nc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000631060852 451561643 /nfs/dbraw/zinc/56/16/43/451561643.db2.gz XFKUDACLLPXYGV-ZDUSSCGKSA-N 2 2 326.448 2.028 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H]4C[NH2+]CC[C@H]43)nc[nH+]2)C1 ZINC000634813042 451567055 /nfs/dbraw/zinc/56/70/55/451567055.db2.gz XMQRJHDMCVMCOH-OWCLPIDISA-N 2 2 331.464 1.264 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H]4C[NH2+]CC[C@H]43)[nH+]cn2)C1 ZINC000634813042 451567062 /nfs/dbraw/zinc/56/70/62/451567062.db2.gz XMQRJHDMCVMCOH-OWCLPIDISA-N 2 2 331.464 1.264 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H](C[NH3+])c2ccccc2)nc(C(C)C)[nH+]1 ZINC000638583816 451589349 /nfs/dbraw/zinc/58/93/49/451589349.db2.gz NYUPSDWGECDPNM-INIZCTEOSA-N 2 2 341.459 2.179 20 0 EDADLP COCCc1ncc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC000631120412 451595802 /nfs/dbraw/zinc/59/58/02/451595802.db2.gz BKJZEOSLHXKUQQ-AWEZNQCLSA-N 2 2 327.494 1.923 20 0 EDADLP COCCc1ncc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)s1 ZINC000631120412 451595811 /nfs/dbraw/zinc/59/58/11/451595811.db2.gz BKJZEOSLHXKUQQ-AWEZNQCLSA-N 2 2 327.494 1.923 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)n2cc([C@@H]([NH3+])c3ccccc3)nn2)CC1 ZINC000640831559 451617031 /nfs/dbraw/zinc/61/70/31/451617031.db2.gz UUVDXHJXLSJRKI-YOEHRIQHSA-N 2 2 342.447 1.051 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000638669932 451641883 /nfs/dbraw/zinc/64/18/83/451641883.db2.gz YDZZGHVYCDSHKE-MRXNPFEDSA-N 3 2 339.524 1.312 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@@H](C(F)F)CC2)CC1 ZINC000636987045 451662637 /nfs/dbraw/zinc/66/26/37/451662637.db2.gz LMBWBUQPTUSOIZ-CQSZACIVSA-N 2 2 348.438 1.078 20 0 EDADLP Cc1nc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c2c([nH+]1)CCCC2 ZINC000631306703 451688632 /nfs/dbraw/zinc/68/86/32/451688632.db2.gz GCUBOGKJBCTUCZ-KRWDZBQOSA-N 2 2 343.475 1.771 20 0 EDADLP C[C@H]1C[C@@H]1c1noc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000631326586 451696234 /nfs/dbraw/zinc/69/62/34/451696234.db2.gz MBTWWDKOACLFBD-JSGCOSHPSA-N 2 2 335.452 1.291 20 0 EDADLP C[C@H]1C[C@@H]1c1noc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000631326586 451696239 /nfs/dbraw/zinc/69/62/39/451696239.db2.gz MBTWWDKOACLFBD-JSGCOSHPSA-N 2 2 335.452 1.291 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2nc(C3CC3)no2)([NH+]2CCCCC2)CC1 ZINC000631364839 451712557 /nfs/dbraw/zinc/71/25/57/451712557.db2.gz PCKQLLPFJOKBHG-UHFFFAOYSA-N 2 2 347.463 1.627 20 0 EDADLP Cc1cccc2[nH+]c(Cn3cc([C@H]([NH3+])C4CCOCC4)nn3)cn21 ZINC000641030498 451734928 /nfs/dbraw/zinc/73/49/28/451734928.db2.gz XCDGYKOWZRHPSM-QGZVFWFLSA-N 2 2 326.404 1.709 20 0 EDADLP CCC[C@H]([NH3+])c1cn(CC(=O)N2CC[NH+](Cc3ccco3)CC2)nn1 ZINC000641030617 451735433 /nfs/dbraw/zinc/73/54/33/451735433.db2.gz CCWJWSCAMUFTCR-HNNXBMFYSA-N 2 2 346.435 1.015 20 0 EDADLP Cc1nn2cccnc2c1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987886 451747804 /nfs/dbraw/zinc/74/78/04/451747804.db2.gz MWTSAMGJORGNPB-UHFFFAOYSA-N 2 2 337.387 1.095 20 0 EDADLP CC(C)(C)c1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n[nH]1 ZINC000638987858 451748298 /nfs/dbraw/zinc/74/82/98/451748298.db2.gz LWLAZVNYRFTXSS-UHFFFAOYSA-N 2 2 328.420 1.764 20 0 EDADLP [NH3+][C@@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000639003007 451750731 /nfs/dbraw/zinc/75/07/31/451750731.db2.gz CMQVOFUAEKLBFL-SFHVURJKSA-N 2 2 339.443 1.253 20 0 EDADLP CCc1[nH+]c(C(C)C)ccc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641113799 451753417 /nfs/dbraw/zinc/75/34/17/451753417.db2.gz CDGPIXJHBKMLCW-UHFFFAOYSA-N 2 2 342.491 1.855 20 0 EDADLP C[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1[nH+]ccn1C ZINC000637288961 451782104 /nfs/dbraw/zinc/78/21/04/451782104.db2.gz JGEPDJSRBJSNMM-LBPRGKRZSA-N 2 2 331.424 1.766 20 0 EDADLP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)sn1 ZINC000639164375 451782745 /nfs/dbraw/zinc/78/27/45/451782745.db2.gz QOGILICSBIERLV-YHWZYXNKSA-N 2 2 338.477 1.325 20 0 EDADLP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)sn1 ZINC000639164375 451782747 /nfs/dbraw/zinc/78/27/47/451782747.db2.gz QOGILICSBIERLV-YHWZYXNKSA-N 2 2 338.477 1.325 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000653275311 451808473 /nfs/dbraw/zinc/80/84/73/451808473.db2.gz BOXIKFQAXJVTFL-SFHVURJKSA-N 2 2 349.475 1.274 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)nc2)CC1 ZINC000639305046 451816854 /nfs/dbraw/zinc/81/68/54/451816854.db2.gz IMNYFTJRWQWKDV-UHFFFAOYSA-N 2 2 332.370 1.820 20 0 EDADLP C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639316794 451823188 /nfs/dbraw/zinc/82/31/88/451823188.db2.gz MDVRPJLQOIZVSN-INIZCTEOSA-N 2 2 326.448 1.051 20 0 EDADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639316794 451823193 /nfs/dbraw/zinc/82/31/93/451823193.db2.gz MDVRPJLQOIZVSN-INIZCTEOSA-N 2 2 326.448 1.051 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644525246 451841578 /nfs/dbraw/zinc/84/15/78/451841578.db2.gz DGNXSDRHHPXEPR-QFBILLFUSA-N 3 2 330.476 1.910 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644525246 451841583 /nfs/dbraw/zinc/84/15/83/451841583.db2.gz DGNXSDRHHPXEPR-QFBILLFUSA-N 3 2 330.476 1.910 20 0 EDADLP CN(CC[NH+]1CCCCC1)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000651477539 451851779 /nfs/dbraw/zinc/85/17/79/451851779.db2.gz BYIZCBVBCBEPKK-MRXNPFEDSA-N 2 2 333.480 1.750 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000641333129 451856317 /nfs/dbraw/zinc/85/63/17/451856317.db2.gz ZWMGPNOUIVXYGQ-QGZVFWFLSA-N 2 2 348.472 1.467 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000641333129 451856323 /nfs/dbraw/zinc/85/63/23/451856323.db2.gz ZWMGPNOUIVXYGQ-QGZVFWFLSA-N 2 2 348.472 1.467 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000644569283 451866891 /nfs/dbraw/zinc/86/68/91/451866891.db2.gz GEWHSSVYHZECJU-CABCVRRESA-N 2 2 345.443 1.108 20 0 EDADLP C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641374754 451908186 /nfs/dbraw/zinc/90/81/86/451908186.db2.gz OVVYSGHAECRSHB-UHFFFAOYSA-N 2 2 342.490 1.338 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000644651007 451918239 /nfs/dbraw/zinc/91/82/39/451918239.db2.gz LFLUNKIFQINFDO-HUUCEWRRSA-N 2 2 329.400 1.499 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000644651007 451918244 /nfs/dbraw/zinc/91/82/44/451918244.db2.gz LFLUNKIFQINFDO-HUUCEWRRSA-N 2 2 329.400 1.499 20 0 EDADLP [NH3+][C@@H](C(=O)NCCCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000649294782 451971766 /nfs/dbraw/zinc/97/17/66/451971766.db2.gz BDKDKFMHPGCQTG-OAHLLOKOSA-N 2 2 325.840 1.568 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000649275109 451946747 /nfs/dbraw/zinc/94/67/47/451946747.db2.gz BERLXHLWGFCPLM-NJAFHUGGSA-N 2 2 342.443 1.221 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000649284835 451956834 /nfs/dbraw/zinc/95/68/34/451956834.db2.gz CXMMXDZEOBZTIY-HZPDHXFCSA-N 2 2 339.867 1.813 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000649285748 451959126 /nfs/dbraw/zinc/95/91/26/451959126.db2.gz QYPSPRFEMDXFMO-HNNXBMFYSA-N 2 2 344.459 1.402 20 0 EDADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000649285703 451959275 /nfs/dbraw/zinc/95/92/75/451959275.db2.gz OXNWJVIZBTUYQA-KGLIPLIRSA-N 2 2 330.432 1.011 20 0 EDADLP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000649296230 451973887 /nfs/dbraw/zinc/97/38/87/451973887.db2.gz OXUAGAANHKEWNI-MISYRCLQSA-N 2 2 347.503 1.099 20 0 EDADLP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000649296230 451973894 /nfs/dbraw/zinc/97/38/94/451973894.db2.gz OXUAGAANHKEWNI-MISYRCLQSA-N 2 2 347.503 1.099 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCC[NH2+]CC1)CC2 ZINC000646987927 451989002 /nfs/dbraw/zinc/98/90/02/451989002.db2.gz XUAPQWVIONNQDX-MRXNPFEDSA-N 2 2 347.459 1.320 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCC[NH2+]CC1)CC2 ZINC000646987927 451989006 /nfs/dbraw/zinc/98/90/06/451989006.db2.gz XUAPQWVIONNQDX-MRXNPFEDSA-N 2 2 347.459 1.320 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3Cc4c[nH+]cn4C3)cn2)CC1 ZINC000637660469 452003126 /nfs/dbraw/zinc/00/31/26/452003126.db2.gz DOMDWCCJPVEFNR-GFCCVEGCSA-N 2 2 329.408 1.093 20 0 EDADLP C[NH+](C)CC1(NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CCC1 ZINC000641478294 452011164 /nfs/dbraw/zinc/01/11/64/452011164.db2.gz NSACGVSAGFRWAK-UHFFFAOYSA-N 2 2 337.489 1.437 20 0 EDADLP C[NH+](C)CC1(NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CCC1 ZINC000641478294 452011170 /nfs/dbraw/zinc/01/11/70/452011170.db2.gz NSACGVSAGFRWAK-UHFFFAOYSA-N 2 2 337.489 1.437 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644820280 452011771 /nfs/dbraw/zinc/01/17/71/452011771.db2.gz VEYLEWXLDKJAPU-BDJLRTHQSA-N 2 2 334.370 1.785 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644820280 452011780 /nfs/dbraw/zinc/01/17/80/452011780.db2.gz VEYLEWXLDKJAPU-BDJLRTHQSA-N 2 2 334.370 1.785 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)COC1(C)C[NH2+]C1 ZINC000649337547 452018099 /nfs/dbraw/zinc/01/80/99/452018099.db2.gz TVGMYPWYEGUTJN-UHFFFAOYSA-N 2 2 333.432 1.144 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([C@@H]4CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000643042058 452025106 /nfs/dbraw/zinc/02/51/06/452025106.db2.gz KQZYDVXXQVPQTQ-UAGQMJEPSA-N 2 2 345.491 1.510 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([C@@H]4CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000643042058 452025111 /nfs/dbraw/zinc/02/51/11/452025111.db2.gz KQZYDVXXQVPQTQ-UAGQMJEPSA-N 2 2 345.491 1.510 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)CC1 ZINC000649350471 452033112 /nfs/dbraw/zinc/03/31/12/452033112.db2.gz FPPCDPFMYBGAFU-APWZRJJASA-N 2 2 328.460 1.515 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000649352557 452037693 /nfs/dbraw/zinc/03/76/93/452037693.db2.gz WJXYRNNLXSBQMR-LJQANCHMSA-N 2 2 341.459 1.421 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C[NH+](C)C ZINC000641508963 452040718 /nfs/dbraw/zinc/04/07/18/452040718.db2.gz UNLKUTZQJQNFHH-ZDUSSCGKSA-N 2 2 325.478 1.151 20 0 EDADLP CCCN(C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000647082058 452049503 /nfs/dbraw/zinc/04/95/03/452049503.db2.gz FZNJGBWYDMPEIR-MRXNPFEDSA-N 2 2 332.448 1.257 20 0 EDADLP CCCN(C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000647082058 452049509 /nfs/dbraw/zinc/04/95/09/452049509.db2.gz FZNJGBWYDMPEIR-MRXNPFEDSA-N 2 2 332.448 1.257 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000637734604 452050868 /nfs/dbraw/zinc/05/08/68/452050868.db2.gz QUGMGZPYLCFQLT-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411040 452073478 /nfs/dbraw/zinc/07/34/78/452073478.db2.gz HHFYICMFGBPXDE-QGZVFWFLSA-N 2 2 330.476 1.469 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649412996 452075982 /nfs/dbraw/zinc/07/59/82/452075982.db2.gz HCKNQGXKAZWRSS-QYZOEREBSA-N 3 2 328.460 1.759 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649412996 452075985 /nfs/dbraw/zinc/07/59/85/452075985.db2.gz HCKNQGXKAZWRSS-QYZOEREBSA-N 3 2 328.460 1.759 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649414365 452076441 /nfs/dbraw/zinc/07/64/41/452076441.db2.gz VAHBGRPSLXZWKD-UFYCRDLUSA-N 3 2 331.504 1.581 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649414365 452076449 /nfs/dbraw/zinc/07/64/49/452076449.db2.gz VAHBGRPSLXZWKD-UFYCRDLUSA-N 3 2 331.504 1.581 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649414365 452076455 /nfs/dbraw/zinc/07/64/55/452076455.db2.gz VAHBGRPSLXZWKD-UFYCRDLUSA-N 3 2 331.504 1.581 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649414365 452076460 /nfs/dbraw/zinc/07/64/60/452076460.db2.gz VAHBGRPSLXZWKD-UFYCRDLUSA-N 3 2 331.504 1.581 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCN2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000649416758 452077841 /nfs/dbraw/zinc/07/78/41/452077841.db2.gz KTSJDIXWFXNUOL-WBVHZDCISA-N 2 2 330.476 1.225 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCN2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000649416758 452077848 /nfs/dbraw/zinc/07/78/48/452077848.db2.gz KTSJDIXWFXNUOL-WBVHZDCISA-N 2 2 330.476 1.225 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000641549354 452078511 /nfs/dbraw/zinc/07/85/11/452078511.db2.gz UZAXMGSKXYZBJI-UHFFFAOYSA-N 2 2 346.456 1.173 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000641549354 452078519 /nfs/dbraw/zinc/07/85/19/452078519.db2.gz UZAXMGSKXYZBJI-UHFFFAOYSA-N 2 2 346.456 1.173 20 0 EDADLP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000653707552 452085448 /nfs/dbraw/zinc/08/54/48/452085448.db2.gz FSBWYIUDCNVHJO-MAZHCROVSA-N 2 2 339.867 1.778 20 0 EDADLP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000653707552 452085457 /nfs/dbraw/zinc/08/54/57/452085457.db2.gz FSBWYIUDCNVHJO-MAZHCROVSA-N 2 2 339.867 1.778 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N(C)C[C@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000643232541 452085869 /nfs/dbraw/zinc/08/58/69/452085869.db2.gz YCSPSIFXWSJXCO-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N(C)C[C@H]3CCC[N@H+]3C)[nH+]c12 ZINC000643232541 452085873 /nfs/dbraw/zinc/08/58/73/452085873.db2.gz YCSPSIFXWSJXCO-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761904 452100895 /nfs/dbraw/zinc/10/08/95/452100895.db2.gz JZWNNQUWPNUVTO-PXNSSMCTSA-N 2 2 347.503 1.730 20 0 EDADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761904 452100901 /nfs/dbraw/zinc/10/09/01/452100901.db2.gz JZWNNQUWPNUVTO-PXNSSMCTSA-N 2 2 347.503 1.730 20 0 EDADLP CC1CC[NH+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647168964 452104043 /nfs/dbraw/zinc/10/40/43/452104043.db2.gz TUXNEDDCGGWCDX-UHFFFAOYSA-N 2 2 343.468 1.685 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768004 452110607 /nfs/dbraw/zinc/11/06/07/452110607.db2.gz XEEXCSJEGRFGBT-RHSMWYFYSA-N 2 2 339.505 1.184 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768004 452110615 /nfs/dbraw/zinc/11/06/15/452110615.db2.gz XEEXCSJEGRFGBT-RHSMWYFYSA-N 2 2 339.505 1.184 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645109963 452156059 /nfs/dbraw/zinc/15/60/59/452156059.db2.gz CRHWALILWVGEEL-HOCLYGCPSA-N 2 2 325.416 1.872 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645109961 452156998 /nfs/dbraw/zinc/15/69/98/452156998.db2.gz CRHWALILWVGEEL-GDBMZVCRSA-N 2 2 325.416 1.872 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645113063 452158039 /nfs/dbraw/zinc/15/80/39/452158039.db2.gz XBLDAWYRHRWDRB-NJAFHUGGSA-N 2 2 335.492 1.620 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645113063 452158047 /nfs/dbraw/zinc/15/80/47/452158047.db2.gz XBLDAWYRHRWDRB-NJAFHUGGSA-N 2 2 335.492 1.620 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649611672 452167645 /nfs/dbraw/zinc/16/76/45/452167645.db2.gz GAJZGIRMLRTRJI-INIZCTEOSA-N 2 2 327.432 1.944 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649611672 452167650 /nfs/dbraw/zinc/16/76/50/452167650.db2.gz GAJZGIRMLRTRJI-INIZCTEOSA-N 2 2 327.432 1.944 20 0 EDADLP Fc1cccc(Cc2nnc3n2CC[N@@H+](CCn2cc[nH+]c2)C3)c1 ZINC000649654182 452182413 /nfs/dbraw/zinc/18/24/13/452182413.db2.gz DQRFRCQCJRQVMS-UHFFFAOYSA-N 2 2 326.379 1.720 20 0 EDADLP Fc1cccc(Cc2nnc3n2CC[N@H+](CCn2cc[nH+]c2)C3)c1 ZINC000649654182 452182420 /nfs/dbraw/zinc/18/24/20/452182420.db2.gz DQRFRCQCJRQVMS-UHFFFAOYSA-N 2 2 326.379 1.720 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000649689083 452199993 /nfs/dbraw/zinc/19/99/93/452199993.db2.gz ZNZDFVPPSALSNL-UHFFFAOYSA-N 2 2 329.366 1.911 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1=O ZINC000649689083 452199996 /nfs/dbraw/zinc/19/99/96/452199996.db2.gz ZNZDFVPPSALSNL-UHFFFAOYSA-N 2 2 329.366 1.911 20 0 EDADLP c1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480640 452226780 /nfs/dbraw/zinc/22/67/80/452226780.db2.gz WDRIMLQQOAXWLX-GDBMZVCRSA-N 2 2 336.505 1.944 20 0 EDADLP c1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480640 452226785 /nfs/dbraw/zinc/22/67/85/452226785.db2.gz WDRIMLQQOAXWLX-GDBMZVCRSA-N 2 2 336.505 1.944 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000641752003 452236482 /nfs/dbraw/zinc/23/64/82/452236482.db2.gz MGSHGNOUAHAGTD-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000641752003 452236487 /nfs/dbraw/zinc/23/64/87/452236487.db2.gz MGSHGNOUAHAGTD-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNc1nc[nH+]c2c1OCCN2 ZINC000665695994 452252821 /nfs/dbraw/zinc/25/28/21/452252821.db2.gz NWTGWEXVEJVEOU-UHFFFAOYSA-N 2 2 329.404 1.833 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNc1[nH+]cnc2c1OCCN2 ZINC000665695994 452252827 /nfs/dbraw/zinc/25/28/27/452252827.db2.gz NWTGWEXVEJVEOU-UHFFFAOYSA-N 2 2 329.404 1.833 20 0 EDADLP CC(C)[C@H](Cn1cccn1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786102 452257274 /nfs/dbraw/zinc/25/72/74/452257274.db2.gz NRSPJJNXPJFEKE-OALUTQOASA-N 2 2 349.523 1.294 20 0 EDADLP CC(C)n1ccnc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787745 452262778 /nfs/dbraw/zinc/26/27/78/452262778.db2.gz ZNBWYUDUQHQFAG-QGZVFWFLSA-N 2 2 335.496 1.350 20 0 EDADLP Clc1cnc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641788540 452266591 /nfs/dbraw/zinc/26/65/91/452266591.db2.gz PKKQDZXYFXNBBH-CYBMUJFWSA-N 2 2 344.912 1.683 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659427606 452268651 /nfs/dbraw/zinc/26/86/51/452268651.db2.gz HKKRHXAOPUHUMC-UHFFFAOYSA-N 2 2 327.432 1.786 20 0 EDADLP CCO[C@H]1C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C12CCOCC2 ZINC000643503943 452269853 /nfs/dbraw/zinc/26/98/53/452269853.db2.gz OWMYDTAWJQWTOP-IRXDYDNUSA-N 2 2 346.475 1.877 20 0 EDADLP O=S1(=O)C[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)Oc2ccccc21 ZINC000657498872 452281609 /nfs/dbraw/zinc/28/16/09/452281609.db2.gz ZIPSGIHOERWVDU-ZDUSSCGKSA-N 2 2 333.413 1.154 20 0 EDADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000641807884 452288671 /nfs/dbraw/zinc/28/86/71/452288671.db2.gz SMSNWIYWDBZBLN-STQMWFEESA-N 2 2 327.450 1.280 20 0 EDADLP COc1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1O ZINC000663570809 452291225 /nfs/dbraw/zinc/29/12/25/452291225.db2.gz ZGSLARIRIDLRAW-UHFFFAOYSA-N 2 2 338.452 1.084 20 0 EDADLP COc1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1O ZINC000663570809 452291235 /nfs/dbraw/zinc/29/12/35/452291235.db2.gz ZGSLARIRIDLRAW-UHFFFAOYSA-N 2 2 338.452 1.084 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000661507038 452311115 /nfs/dbraw/zinc/31/11/15/452311115.db2.gz JDLUDGOIDYJELV-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000661507038 452311123 /nfs/dbraw/zinc/31/11/23/452311123.db2.gz JDLUDGOIDYJELV-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP C[C@]1(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000663586607 452311387 /nfs/dbraw/zinc/31/13/87/452311387.db2.gz PBRAVGGELHRWTO-KRWDZBQOSA-N 2 2 329.404 1.836 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638049563 452316666 /nfs/dbraw/zinc/31/66/66/452316666.db2.gz MBHHKIWPRCMDCY-KRWDZBQOSA-N 2 2 343.427 1.678 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638049563 452316669 /nfs/dbraw/zinc/31/66/69/452316669.db2.gz MBHHKIWPRCMDCY-KRWDZBQOSA-N 2 2 343.427 1.678 20 0 EDADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)CC[N@@H+]1Cc1ccccc1 ZINC000665748580 452317814 /nfs/dbraw/zinc/31/78/14/452317814.db2.gz SGOGWMMLNHZCTO-CQSZACIVSA-N 2 2 325.416 1.992 20 0 EDADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)CC[N@H+]1Cc1ccccc1 ZINC000665748580 452317825 /nfs/dbraw/zinc/31/78/25/452317825.db2.gz SGOGWMMLNHZCTO-CQSZACIVSA-N 2 2 325.416 1.992 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000643603392 452328346 /nfs/dbraw/zinc/32/83/46/452328346.db2.gz LHCMGYUGGDPJIG-SJORKVTESA-N 2 2 335.423 1.285 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000643603392 452328355 /nfs/dbraw/zinc/32/83/55/452328355.db2.gz LHCMGYUGGDPJIG-SJORKVTESA-N 2 2 335.423 1.285 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000647622562 452359097 /nfs/dbraw/zinc/35/90/97/452359097.db2.gz MWJSMCVEVFZNNJ-UHFFFAOYSA-N 2 2 334.370 1.787 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000638063657 452361884 /nfs/dbraw/zinc/36/18/84/452361884.db2.gz OEDVPIHHZZVCMA-LPHOPBHVSA-N 2 2 346.475 1.701 20 0 EDADLP C[C@@]1(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)CCC[NH2+]C1 ZINC000659529250 452391042 /nfs/dbraw/zinc/39/10/42/452391042.db2.gz JNJUGHMZOLVVKU-GOSISDBHSA-N 2 2 331.464 1.871 20 0 EDADLP CC(C)n1ncc2cc(C[N@H+](C)CC(=O)N3CC[NH+](C)CC3)cnc21 ZINC000640059587 452401346 /nfs/dbraw/zinc/40/13/46/452401346.db2.gz REKCNAGGWMRDOR-UHFFFAOYSA-N 2 2 344.463 1.218 20 0 EDADLP CC(C)n1ncc2cc(C[N@@H+](C)CC(=O)N3CC[NH+](C)CC3)cnc21 ZINC000640059587 452401356 /nfs/dbraw/zinc/40/13/56/452401356.db2.gz REKCNAGGWMRDOR-UHFFFAOYSA-N 2 2 344.463 1.218 20 0 EDADLP [NH3+]CCC[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000659545677 452404304 /nfs/dbraw/zinc/40/43/04/452404304.db2.gz SFLAWDDEEIBPMT-ZWKOTPCHSA-N 2 2 346.475 1.583 20 0 EDADLP C[C@H](CNC(=O)NCCNc1cccc[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654354251 452405089 /nfs/dbraw/zinc/40/50/89/452405089.db2.gz HSHAWRIQGUGUFX-KFWWJZLASA-N 2 2 335.452 1.290 20 0 EDADLP C[C@H](CNC(=O)NCCNc1cccc[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654354251 452405100 /nfs/dbraw/zinc/40/51/00/452405100.db2.gz HSHAWRIQGUGUFX-KFWWJZLASA-N 2 2 335.452 1.290 20 0 EDADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CS1(=O)=O ZINC000657640411 452413169 /nfs/dbraw/zinc/41/31/69/452413169.db2.gz WYURCDOFEHERTN-NEPJUHHUSA-N 2 2 325.459 1.989 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000652221855 452415007 /nfs/dbraw/zinc/41/50/07/452415007.db2.gz ZPXMNBYCIZRGLF-AWEZNQCLSA-N 2 2 347.463 1.146 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659560748 452416184 /nfs/dbraw/zinc/41/61/84/452416184.db2.gz PWCAZEXNAFMOBD-KRWDZBQOSA-N 2 2 332.448 1.022 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC1=CCCOC1 ZINC000661654892 452468372 /nfs/dbraw/zinc/46/83/72/452468372.db2.gz IMCWUUQDFLJYSJ-UHFFFAOYSA-N 2 2 349.500 1.671 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC1=CCCOC1 ZINC000661654892 452468378 /nfs/dbraw/zinc/46/83/78/452468378.db2.gz IMCWUUQDFLJYSJ-UHFFFAOYSA-N 2 2 349.500 1.671 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)cc2[nH+]1 ZINC000657730227 452482250 /nfs/dbraw/zinc/48/22/50/452482250.db2.gz YSHJZOGHIBGPRB-NHYWBVRUSA-N 2 2 341.415 1.180 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc2[nH+]1 ZINC000657730227 452482257 /nfs/dbraw/zinc/48/22/57/452482257.db2.gz YSHJZOGHIBGPRB-NHYWBVRUSA-N 2 2 341.415 1.180 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645530223 452500020 /nfs/dbraw/zinc/50/00/20/452500020.db2.gz RJKUAVAVGIMAQU-AWEZNQCLSA-N 2 2 335.452 1.470 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH+]2CCC(C)([NH3+])CC2)n[nH]1 ZINC000652340693 452510266 /nfs/dbraw/zinc/51/02/66/452510266.db2.gz FNPBYIQCQLJMKL-UHFFFAOYSA-N 2 2 342.447 1.840 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ncccc32)C[C@H]1C[NH3+] ZINC000652356555 452533813 /nfs/dbraw/zinc/53/38/13/452533813.db2.gz RWRWMTWANIYSSH-PMUMKWKESA-N 2 2 342.443 1.857 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc3ncccc32)C[C@H]1C[NH3+] ZINC000652356555 452533819 /nfs/dbraw/zinc/53/38/19/452533819.db2.gz RWRWMTWANIYSSH-PMUMKWKESA-N 2 2 342.443 1.857 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccn1 ZINC000655715728 452534400 /nfs/dbraw/zinc/53/44/00/452534400.db2.gz NLAZARKHCFESTC-DOTOQJQBSA-N 2 2 334.464 1.147 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC2C[NH2+]C2)[C@H](C)C1 ZINC000640246201 452541570 /nfs/dbraw/zinc/54/15/70/452541570.db2.gz JVXTUYOSBGAKKF-OAHLLOKOSA-N 2 2 346.475 1.520 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC2C[NH2+]C2)[C@H](C)C1 ZINC000640246201 452541582 /nfs/dbraw/zinc/54/15/82/452541582.db2.gz JVXTUYOSBGAKKF-OAHLLOKOSA-N 2 2 346.475 1.520 20 0 EDADLP O=C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)NCCc1ccccc1 ZINC000655744642 452553722 /nfs/dbraw/zinc/55/37/22/452553722.db2.gz UAESNVQKVZKFJL-SFHVURJKSA-N 2 2 331.460 1.188 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)cc2[nH+]1 ZINC000657840701 452560733 /nfs/dbraw/zinc/56/07/33/452560733.db2.gz VGSJLPFULMKGSD-HNNXBMFYSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)cc2[nH+]1 ZINC000657840701 452560737 /nfs/dbraw/zinc/56/07/37/452560737.db2.gz VGSJLPFULMKGSD-HNNXBMFYSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@H]3[C@H](C)O)CC2)c1 ZINC000661774761 452570145 /nfs/dbraw/zinc/57/01/45/452570145.db2.gz RHKIFEPIYNPZGM-PKOBYXMFSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3[C@H](C)O)CC2)c1 ZINC000661774761 452570160 /nfs/dbraw/zinc/57/01/60/452570160.db2.gz RHKIFEPIYNPZGM-PKOBYXMFSA-N 2 2 345.487 1.484 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NCCc1ccccc1 ZINC000655774399 452570972 /nfs/dbraw/zinc/57/09/72/452570972.db2.gz AMWGJMPHMWWZTQ-VQIMIIECSA-N 2 2 345.487 1.577 20 0 EDADLP CCOC1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000657865008 452575985 /nfs/dbraw/zinc/57/59/85/452575985.db2.gz PHGADLJKKKZZPR-JCYILVPMSA-N 2 2 325.497 1.866 20 0 EDADLP CCOC1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000657865008 452575996 /nfs/dbraw/zinc/57/59/96/452575996.db2.gz PHGADLJKKKZZPR-JCYILVPMSA-N 2 2 325.497 1.866 20 0 EDADLP Cc1ccc2cc(Cl)cc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2n1 ZINC000647874196 452612596 /nfs/dbraw/zinc/61/25/96/452612596.db2.gz GKCOJDSXTQWPEB-CQSZACIVSA-N 2 2 332.835 1.912 20 0 EDADLP Cc1ccc2cc(Cl)cc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2n1 ZINC000647874196 452612603 /nfs/dbraw/zinc/61/26/03/452612603.db2.gz GKCOJDSXTQWPEB-CQSZACIVSA-N 2 2 332.835 1.912 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000652423762 452618043 /nfs/dbraw/zinc/61/80/43/452618043.db2.gz UVCONFNMERJMIR-UHFFFAOYSA-N 2 2 349.479 1.210 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000652423762 452618051 /nfs/dbraw/zinc/61/80/51/452618051.db2.gz UVCONFNMERJMIR-UHFFFAOYSA-N 2 2 349.479 1.210 20 0 EDADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(C(N)=O)(c3ccccc3)CC2)n1 ZINC000647885879 452626473 /nfs/dbraw/zinc/62/64/73/452626473.db2.gz CTGDUKOBBYNOIY-UHFFFAOYSA-N 2 2 343.431 1.283 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647925314 452661006 /nfs/dbraw/zinc/66/10/06/452661006.db2.gz CTCYRMWAEXKHKV-AWEZNQCLSA-N 2 2 349.475 1.864 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCCOc2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000647936368 452677059 /nfs/dbraw/zinc/67/70/59/452677059.db2.gz CDNFRMMLIGBOQM-AEFFLSMTSA-N 2 2 333.476 1.939 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCCOc2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000647936368 452677067 /nfs/dbraw/zinc/67/70/67/452677067.db2.gz CDNFRMMLIGBOQM-AEFFLSMTSA-N 2 2 333.476 1.939 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647938835 452680075 /nfs/dbraw/zinc/68/00/75/452680075.db2.gz VXHLSMCKHIOSSH-HIFRSBDPSA-N 2 2 341.402 1.963 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647938835 452680080 /nfs/dbraw/zinc/68/00/80/452680080.db2.gz VXHLSMCKHIOSSH-HIFRSBDPSA-N 2 2 341.402 1.963 20 0 EDADLP C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000647989664 452730825 /nfs/dbraw/zinc/73/08/25/452730825.db2.gz UZYNMYSABNAJIQ-GXFFZTMASA-N 2 2 326.238 1.517 20 0 EDADLP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000647989664 452730830 /nfs/dbraw/zinc/73/08/30/452730830.db2.gz UZYNMYSABNAJIQ-GXFFZTMASA-N 2 2 326.238 1.517 20 0 EDADLP C[NH+]1CCN(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000650427052 452755844 /nfs/dbraw/zinc/75/58/44/452755844.db2.gz DLZGAIKGFLIKFJ-UHFFFAOYSA-N 2 2 347.850 1.389 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656038 452768444 /nfs/dbraw/zinc/76/84/44/452768444.db2.gz ZVKYOXUFHZUGHG-NXOAAHMSSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656038 452768450 /nfs/dbraw/zinc/76/84/50/452768450.db2.gz ZVKYOXUFHZUGHG-NXOAAHMSSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@H]1C[NH+](CC)CCN1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656038 452768456 /nfs/dbraw/zinc/76/84/56/452768456.db2.gz ZVKYOXUFHZUGHG-NXOAAHMSSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@H]1C[NH+](CC)CCN1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656038 452768460 /nfs/dbraw/zinc/76/84/60/452768460.db2.gz ZVKYOXUFHZUGHG-NXOAAHMSSA-N 2 2 340.512 1.610 20 0 EDADLP CO[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000656022597 452809599 /nfs/dbraw/zinc/80/95/99/452809599.db2.gz LXBCNHOYNCVKLQ-DLBZAZTESA-N 2 2 338.496 1.221 20 0 EDADLP CO[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000656022597 452809602 /nfs/dbraw/zinc/80/96/02/452809602.db2.gz LXBCNHOYNCVKLQ-DLBZAZTESA-N 2 2 338.496 1.221 20 0 EDADLP CN1CCN(c2cc(NC[C@H]3CC[N@@H+]3C(C)(C)C)nc[nH+]2)CC1=O ZINC000664142364 452817996 /nfs/dbraw/zinc/81/79/96/452817996.db2.gz JCBHGJHAUPIWKI-CYBMUJFWSA-N 2 2 332.452 1.040 20 0 EDADLP CN1CCN(c2cc(NC[C@H]3CC[N@H+]3C(C)(C)C)nc[nH+]2)CC1=O ZINC000664142364 452818003 /nfs/dbraw/zinc/81/80/03/452818003.db2.gz JCBHGJHAUPIWKI-CYBMUJFWSA-N 2 2 332.452 1.040 20 0 EDADLP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000666377136 452818988 /nfs/dbraw/zinc/81/89/88/452818988.db2.gz MDRUBSYBXDHSPP-INIZCTEOSA-N 2 2 330.476 1.408 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C1CCC([NH3+])CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000648117874 452832992 /nfs/dbraw/zinc/83/29/92/452832992.db2.gz MPQYMPMUFOZFNL-GPANFISMSA-N 3 2 345.491 1.408 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341506 452852796 /nfs/dbraw/zinc/85/27/96/452852796.db2.gz JAHFUYZQMPPCSW-OALUTQOASA-N 2 2 342.491 1.463 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341506 452852807 /nfs/dbraw/zinc/85/28/07/452852807.db2.gz JAHFUYZQMPPCSW-OALUTQOASA-N 2 2 342.491 1.463 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648172677 452884220 /nfs/dbraw/zinc/88/42/20/452884220.db2.gz NQGXOKDZFPVDMM-GADBESIXSA-N 2 2 336.411 1.070 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648172677 452884228 /nfs/dbraw/zinc/88/42/28/452884228.db2.gz NQGXOKDZFPVDMM-GADBESIXSA-N 2 2 336.411 1.070 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1)Nc1ccccc1 ZINC000662251507 452978026 /nfs/dbraw/zinc/97/80/26/452978026.db2.gz GHEKKFDZPQPCQW-DLBZAZTESA-N 2 2 332.448 1.651 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1)Nc1ccccc1 ZINC000662251507 452978035 /nfs/dbraw/zinc/97/80/35/452978035.db2.gz GHEKKFDZPQPCQW-DLBZAZTESA-N 2 2 332.448 1.651 20 0 EDADLP Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662253809 452982930 /nfs/dbraw/zinc/98/29/30/452982930.db2.gz WVSSWUBRKADIQG-CQSZACIVSA-N 2 2 335.473 1.335 20 0 EDADLP O=C(Nc1ccc(Cl)cn1)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662259875 452987483 /nfs/dbraw/zinc/98/74/83/452987483.db2.gz CCBNPXRAMCZXHK-CQSZACIVSA-N 2 2 338.839 1.374 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662261214 452989781 /nfs/dbraw/zinc/98/97/81/452989781.db2.gz GLMSIQNIXIEKSS-UHFFFAOYSA-N 3 2 344.503 1.318 20 0 EDADLP COc1cc(N[C@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000662278548 453005800 /nfs/dbraw/zinc/00/58/00/453005800.db2.gz GOQWIYHSBMZGIP-KBXCAEBGSA-N 2 2 335.448 1.569 20 0 EDADLP COc1cc(N[C@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000662278548 453005803 /nfs/dbraw/zinc/00/58/03/453005803.db2.gz GOQWIYHSBMZGIP-KBXCAEBGSA-N 2 2 335.448 1.569 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000664331488 453007367 /nfs/dbraw/zinc/00/73/67/453007367.db2.gz RZSAYEFQKCSABS-UHFFFAOYSA-N 2 2 348.495 1.687 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(N2CCCC2)nc1 ZINC000664331488 453007374 /nfs/dbraw/zinc/00/73/74/453007374.db2.gz RZSAYEFQKCSABS-UHFFFAOYSA-N 2 2 348.495 1.687 20 0 EDADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccccc1-c1ccccc1 ZINC000662285541 453008854 /nfs/dbraw/zinc/00/88/54/453008854.db2.gz CUEZOQGGEDSQHO-UHFFFAOYSA-N 2 2 339.439 1.996 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000662318916 453036586 /nfs/dbraw/zinc/03/65/86/453036586.db2.gz AYLUNXKUJKUXJR-MSOLQXFVSA-N 2 2 331.460 1.835 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000662318916 453036596 /nfs/dbraw/zinc/03/65/96/453036596.db2.gz AYLUNXKUJKUXJR-MSOLQXFVSA-N 2 2 331.460 1.835 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc4cccnc4o3)CC2)C1 ZINC000648369649 453040478 /nfs/dbraw/zinc/04/04/78/453040478.db2.gz USXWXOFOXJYKHG-SFHVURJKSA-N 2 2 344.459 1.666 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc4cccnc4o3)CC2)C1 ZINC000648369649 453040484 /nfs/dbraw/zinc/04/04/84/453040484.db2.gz USXWXOFOXJYKHG-SFHVURJKSA-N 2 2 344.459 1.666 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@]4(CC4(F)F)C3)C2)CC1 ZINC000650876909 453077349 /nfs/dbraw/zinc/07/73/49/453077349.db2.gz JLCXYHWVDFTQAZ-CJNGLKHVSA-N 2 2 342.434 1.596 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@]4(CC4(F)F)C3)C2)CC1 ZINC000650876909 453077353 /nfs/dbraw/zinc/07/73/53/453077353.db2.gz JLCXYHWVDFTQAZ-CJNGLKHVSA-N 2 2 342.434 1.596 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000662372509 453082393 /nfs/dbraw/zinc/08/23/93/453082393.db2.gz UHJUKEUTZQBWPZ-JKSUJKDBSA-N 2 2 346.431 1.641 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cccc2c1C[NH2+]C2 ZINC000662379408 453087766 /nfs/dbraw/zinc/08/77/66/453087766.db2.gz XFDWUNKCXIXAEM-UHFFFAOYSA-N 2 2 338.411 1.451 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000664451199 453107281 /nfs/dbraw/zinc/10/72/81/453107281.db2.gz UQGKXNYMHLAKIM-UHFFFAOYSA-N 2 2 332.452 1.017 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000664451199 453107289 /nfs/dbraw/zinc/10/72/89/453107289.db2.gz UQGKXNYMHLAKIM-UHFFFAOYSA-N 2 2 332.452 1.017 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccn2ccnc2c1 ZINC000664451199 453107302 /nfs/dbraw/zinc/10/73/02/453107302.db2.gz UQGKXNYMHLAKIM-UHFFFAOYSA-N 2 2 332.452 1.017 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCN(c3ccc(F)cc3)C1=O)CCO2 ZINC000646106608 453110204 /nfs/dbraw/zinc/11/02/04/453110204.db2.gz DZUOETWTKZVZPJ-QGZVFWFLSA-N 2 2 347.434 1.728 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCN(c3ccc(F)cc3)C1=O)CCO2 ZINC000646106608 453110215 /nfs/dbraw/zinc/11/02/15/453110215.db2.gz DZUOETWTKZVZPJ-QGZVFWFLSA-N 2 2 347.434 1.728 20 0 EDADLP COCC1(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[NH2+]CC1 ZINC000646138555 453149243 /nfs/dbraw/zinc/14/92/43/453149243.db2.gz LQEFFUDOGMYBNW-UHFFFAOYSA-N 2 2 330.432 1.318 20 0 EDADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCc1c[nH+]cn1C ZINC000656440579 453181893 /nfs/dbraw/zinc/18/18/93/453181893.db2.gz ZDGAJXRTPDPOSO-QGZVFWFLSA-N 2 2 338.415 1.092 20 0 EDADLP CC(C)C[C@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664594642 453230152 /nfs/dbraw/zinc/23/01/52/453230152.db2.gz GDAZWIAMQGOGNH-SJORKVTESA-N 2 2 342.528 1.763 20 0 EDADLP CC(C)C[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664594642 453230159 /nfs/dbraw/zinc/23/01/59/453230159.db2.gz GDAZWIAMQGOGNH-SJORKVTESA-N 2 2 342.528 1.763 20 0 EDADLP CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653059064 453235466 /nfs/dbraw/zinc/23/54/66/453235466.db2.gz SAVYPJIWMOQTSK-HNNXBMFYSA-N 2 2 334.464 1.451 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653061141 453236636 /nfs/dbraw/zinc/23/66/36/453236636.db2.gz CNIQQTYCYBAMND-QGZVFWFLSA-N 2 2 329.448 1.384 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000653059476 453237038 /nfs/dbraw/zinc/23/70/38/453237038.db2.gz ABORKMBKCOXAMJ-LSDHHAIUSA-N 2 2 333.432 1.400 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000653077890 453257258 /nfs/dbraw/zinc/25/72/58/453257258.db2.gz ODNWWPLUFDTFBO-INIZCTEOSA-N 2 2 337.439 1.269 20 0 EDADLP CCc1ccc2c(c1)[C@H](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)N2 ZINC000653088601 453271123 /nfs/dbraw/zinc/27/11/23/453271123.db2.gz DNOUAQADYGYLTM-ZFWWWQNUSA-N 2 2 332.448 1.070 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1(C)C ZINC000646265206 453271544 /nfs/dbraw/zinc/27/15/44/453271544.db2.gz OFNFGUQSCWKTGT-HBUWYVDXSA-N 2 2 332.448 1.309 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666975001 453291706 /nfs/dbraw/zinc/29/17/06/453291706.db2.gz DVGDKAIPYBWLRV-HNNXBMFYSA-N 2 2 329.404 1.709 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660422405 453294969 /nfs/dbraw/zinc/29/49/69/453294969.db2.gz DVFMLKOVOMMHSS-WBVHZDCISA-N 2 2 327.432 1.845 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000660422405 453294984 /nfs/dbraw/zinc/29/49/84/453294984.db2.gz DVFMLKOVOMMHSS-WBVHZDCISA-N 2 2 327.432 1.845 20 0 EDADLP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000653112591 453299800 /nfs/dbraw/zinc/29/98/00/453299800.db2.gz CRQCDONEKYTADO-CQSZACIVSA-N 2 2 331.420 1.180 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000653112591 453299804 /nfs/dbraw/zinc/29/98/04/453299804.db2.gz CRQCDONEKYTADO-CQSZACIVSA-N 3 2 331.420 1.180 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)cn21 ZINC000662579937 453306921 /nfs/dbraw/zinc/30/69/21/453306921.db2.gz KGBMIUVUZPDHDI-CYBMUJFWSA-N 2 2 338.415 1.415 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000653118092 453307169 /nfs/dbraw/zinc/30/71/69/453307169.db2.gz BRJUTRXTKCBSOB-HIFRSBDPSA-N 2 2 338.883 1.704 20 0 EDADLP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000660471945 453332786 /nfs/dbraw/zinc/33/27/86/453332786.db2.gz ADLSNOYXRIAENJ-HNNXBMFYSA-N 2 2 336.484 1.157 20 0 EDADLP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000660471945 453332793 /nfs/dbraw/zinc/33/27/93/453332793.db2.gz ADLSNOYXRIAENJ-HNNXBMFYSA-N 2 2 336.484 1.157 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000653149105 453336648 /nfs/dbraw/zinc/33/66/48/453336648.db2.gz XDVVQEBTMBVKEI-MRXNPFEDSA-N 3 2 340.899 1.509 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000662630605 453347610 /nfs/dbraw/zinc/34/76/10/453347610.db2.gz GDWJFGAGMFCHKA-KRWDZBQOSA-N 3 2 334.508 1.712 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000662630605 453347618 /nfs/dbraw/zinc/34/76/18/453347618.db2.gz GDWJFGAGMFCHKA-KRWDZBQOSA-N 3 2 334.508 1.712 20 0 EDADLP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000653164860 453358810 /nfs/dbraw/zinc/35/88/10/453358810.db2.gz OOEPGUOMNLABPV-SFHVURJKSA-N 2 2 330.476 1.999 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000651208576 453363564 /nfs/dbraw/zinc/36/35/64/453363564.db2.gz CINQMTKKZXLPSE-OAHLLOKOSA-N 2 2 341.459 1.512 20 0 EDADLP C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244739 453367678 /nfs/dbraw/zinc/36/76/78/453367678.db2.gz UOLDVCVTJAMBQH-ZACQAIPSSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@H](CNC(=O)CCCC[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244739 453367690 /nfs/dbraw/zinc/36/76/90/453367690.db2.gz UOLDVCVTJAMBQH-ZACQAIPSSA-N 2 2 341.496 1.103 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Cc3cn4ccccc4[nH+]3)C2)C1 ZINC000653183239 453373207 /nfs/dbraw/zinc/37/32/07/453373207.db2.gz BJXZCGZFYBTHIQ-UXLLHSPISA-N 2 2 342.443 1.622 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)C2)C1 ZINC000653184954 453375238 /nfs/dbraw/zinc/37/52/38/453375238.db2.gz UXMDMUTWKQDLDD-NUEKZKHPSA-N 2 2 328.416 1.693 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662674065 453389894 /nfs/dbraw/zinc/38/98/94/453389894.db2.gz YCCBEVWVHANMAW-HNNXBMFYSA-N 2 2 327.375 1.145 20 0 EDADLP CN1CC[NH+]([C@@H](C(=O)N2CCC(CC[NH3+])CC2)c2ccccc2)CC1 ZINC000653256590 453439411 /nfs/dbraw/zinc/43/94/11/453439411.db2.gz FDKZPIFOQOJAFK-LJQANCHMSA-N 2 2 344.503 1.563 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)c1 ZINC000662717960 453441970 /nfs/dbraw/zinc/44/19/70/453441970.db2.gz FWKPHZYRFMNRRU-QGTPRVQTSA-N 2 2 347.459 1.264 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000656788830 453446665 /nfs/dbraw/zinc/44/66/65/453446665.db2.gz HGRJMSPQTOHREQ-BMGDILEWSA-N 3 2 348.466 1.058 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1COCC[NH+]1C1CCCC1 ZINC000655351875 453471708 /nfs/dbraw/zinc/47/17/08/453471708.db2.gz URGVDRPKEIGDDT-KZNAEPCWSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1COCC[NH+]1C1CCCC1 ZINC000655351875 453471715 /nfs/dbraw/zinc/47/17/15/453471715.db2.gz URGVDRPKEIGDDT-KZNAEPCWSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000655351875 453471719 /nfs/dbraw/zinc/47/17/19/453471719.db2.gz URGVDRPKEIGDDT-KZNAEPCWSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000655351875 453471724 /nfs/dbraw/zinc/47/17/24/453471724.db2.gz URGVDRPKEIGDDT-KZNAEPCWSA-N 2 2 335.492 1.763 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)CC3([NH3+])CC3)CC2)cc(OC)c1 ZINC000662750383 453482909 /nfs/dbraw/zinc/48/29/09/453482909.db2.gz CUGWEOMFUVHZHH-UHFFFAOYSA-N 2 2 333.432 1.229 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nccn1C ZINC000667256800 453518006 /nfs/dbraw/zinc/51/80/06/453518006.db2.gz UUGXPPQLBNCCNS-AWEZNQCLSA-N 2 2 336.484 1.149 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nccn1C ZINC000667256800 453518012 /nfs/dbraw/zinc/51/80/12/453518012.db2.gz UUGXPPQLBNCCNS-AWEZNQCLSA-N 2 2 336.484 1.149 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CC2)CC1 ZINC000655446367 453534378 /nfs/dbraw/zinc/53/43/78/453534378.db2.gz PTRQSVOEYPAEGJ-PKOBYXMFSA-N 3 2 334.508 1.051 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000667286067 453536127 /nfs/dbraw/zinc/53/61/27/453536127.db2.gz QYQUDWSSYORGFC-UHFFFAOYSA-N 2 2 349.479 1.671 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000667286067 453536131 /nfs/dbraw/zinc/53/61/31/453536131.db2.gz QYQUDWSSYORGFC-UHFFFAOYSA-N 2 2 349.479 1.671 20 0 EDADLP Cc1cc(NC(=O)C(=O)N[C@@H](C)c2[nH+]ccn2C)cn2cc[nH+]c12 ZINC000658921423 453538570 /nfs/dbraw/zinc/53/85/70/453538570.db2.gz BLJQHHFGRWXSES-NSHDSACASA-N 2 2 326.360 1.192 20 0 EDADLP O=C([C@H]1CCCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850071 453570756 /nfs/dbraw/zinc/57/07/56/453570756.db2.gz MPFYMTXBJHIXJH-KURKYZTESA-N 2 2 329.444 1.240 20 0 EDADLP O=C([C@H]1CCCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850071 453570761 /nfs/dbraw/zinc/57/07/61/453570761.db2.gz MPFYMTXBJHIXJH-KURKYZTESA-N 2 2 329.444 1.240 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cnccc3Cl)C2)CC1 ZINC000665295104 453640570 /nfs/dbraw/zinc/64/05/70/453640570.db2.gz LHPMHTCCNYIHEZ-CQSZACIVSA-N 2 2 336.867 1.562 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cnccc3Cl)C2)CC1 ZINC000665295104 453640574 /nfs/dbraw/zinc/64/05/74/453640574.db2.gz LHPMHTCCNYIHEZ-CQSZACIVSA-N 2 2 336.867 1.562 20 0 EDADLP Cc1ccccc1CS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657072283 453662460 /nfs/dbraw/zinc/66/24/60/453662460.db2.gz ZTVNMOGCJMGCHV-INIZCTEOSA-N 2 2 341.521 1.686 20 0 EDADLP Cc1ccccc1CS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657072283 453662463 /nfs/dbraw/zinc/66/24/63/453662463.db2.gz ZTVNMOGCJMGCHV-INIZCTEOSA-N 2 2 341.521 1.686 20 0 EDADLP Cn1c2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2[nH+]c1C1CC1 ZINC000659314962 453712606 /nfs/dbraw/zinc/71/26/06/453712606.db2.gz MPPBTSKMVFLWPW-UHFFFAOYSA-N 2 2 325.376 1.253 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661204640 453757167 /nfs/dbraw/zinc/75/71/67/453757167.db2.gz KTHCIGVRAONJEN-JKSUJKDBSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661204640 453757172 /nfs/dbraw/zinc/75/71/72/453757172.db2.gz KTHCIGVRAONJEN-JKSUJKDBSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661204640 453757176 /nfs/dbraw/zinc/75/71/76/453757176.db2.gz KTHCIGVRAONJEN-JKSUJKDBSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661204640 453757180 /nfs/dbraw/zinc/75/71/80/453757180.db2.gz KTHCIGVRAONJEN-JKSUJKDBSA-N 2 2 339.443 1.841 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657332590 453767875 /nfs/dbraw/zinc/76/78/75/453767875.db2.gz KIFACRPVTPRJNA-UHFFFAOYSA-N 2 2 334.445 1.206 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CN1CCOc1ccccc1 ZINC000657375493 453777013 /nfs/dbraw/zinc/77/70/13/453777013.db2.gz GZGGURATSUEULD-HNNXBMFYSA-N 2 2 340.427 1.599 20 0 EDADLP Cc1[nH]c(CN[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)[nH+]c1C ZINC000657371687 453777662 /nfs/dbraw/zinc/77/76/62/453777662.db2.gz ZZUSEYZPXHMFAC-ZWKOTPCHSA-N 2 2 328.460 1.999 20 0 EDADLP Cc1[nH]c(CN[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)[nH+]c1C ZINC000657371687 453777664 /nfs/dbraw/zinc/77/76/64/453777664.db2.gz ZZUSEYZPXHMFAC-ZWKOTPCHSA-N 2 2 328.460 1.999 20 0 EDADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000657400422 453781875 /nfs/dbraw/zinc/78/18/75/453781875.db2.gz MFTPOSYMRPVVBF-ZIAGYGMSSA-N 2 2 346.397 1.906 20 0 EDADLP O=C(COc1ccccc1C[NH2+]CC12CC(C1)C[NH2+]2)N1CCCC1 ZINC000663497602 453810544 /nfs/dbraw/zinc/81/05/44/453810544.db2.gz IFFBBBBZARVLMY-UHFFFAOYSA-N 2 2 329.444 1.529 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(CCO)CCC3)C2)CC1 ZINC000676154236 486679900 /nfs/dbraw/zinc/67/99/00/486679900.db2.gz KZQFSSPVAORRLY-OAHLLOKOSA-N 2 2 338.496 1.007 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(CCO)CCC3)C2)CC1 ZINC000676154236 486679903 /nfs/dbraw/zinc/67/99/03/486679903.db2.gz KZQFSSPVAORRLY-OAHLLOKOSA-N 2 2 338.496 1.007 20 0 EDADLP COc1ccc(C[C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(C)c1OC ZINC000671743945 486739129 /nfs/dbraw/zinc/73/91/29/486739129.db2.gz GUKDQVKUFXWDQA-CQSZACIVSA-N 2 2 349.475 1.307 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000680326772 486750504 /nfs/dbraw/zinc/75/05/04/486750504.db2.gz PWZNDOQKHRIUOL-UHFFFAOYSA-N 2 2 349.460 1.089 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000672690671 486762848 /nfs/dbraw/zinc/76/28/48/486762848.db2.gz HBOWOZUOEGGZPF-HNNXBMFYSA-N 2 2 349.479 1.146 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC[C@@H]3CNc4ccnn4C3)[nH+]c2)C1 ZINC000676497513 486786538 /nfs/dbraw/zinc/78/65/38/486786538.db2.gz BNELTPDPPYWCGN-ZBFHGGJFSA-N 2 2 341.463 1.572 20 0 EDADLP c1cc2cc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)ccc2cn1 ZINC000683770136 486815130 /nfs/dbraw/zinc/81/51/30/486815130.db2.gz LKUBBAXRIBENSI-HXUWFJFHSA-N 2 2 340.471 1.731 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000672976774 486863211 /nfs/dbraw/zinc/86/32/11/486863211.db2.gz GKQFCUVXOCVKKA-CVEARBPZSA-N 2 2 331.464 1.834 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000672976774 486863219 /nfs/dbraw/zinc/86/32/19/486863219.db2.gz GKQFCUVXOCVKKA-CVEARBPZSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000656541384 486866478 /nfs/dbraw/zinc/86/64/78/486866478.db2.gz ZYMOSLGYJCVLFW-CQSZACIVSA-N 2 2 328.420 1.766 20 0 EDADLP COCc1cncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000680929865 486897244 /nfs/dbraw/zinc/89/72/44/486897244.db2.gz WHSMTPMDYDZEEZ-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP COCc1cncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000680929865 486897246 /nfs/dbraw/zinc/89/72/46/486897246.db2.gz WHSMTPMDYDZEEZ-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP CN(C(=O)c1c(O)cccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681231019 486982401 /nfs/dbraw/zinc/98/24/01/486982401.db2.gz CLRXRLOCABHHIZ-AWEZNQCLSA-N 2 2 335.423 1.772 20 0 EDADLP CN(C(=O)c1c(O)cccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681231019 486982407 /nfs/dbraw/zinc/98/24/07/486982407.db2.gz CLRXRLOCABHHIZ-AWEZNQCLSA-N 2 2 335.423 1.772 20 0 EDADLP C[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)S(C)(=O)=O ZINC000677134124 486982549 /nfs/dbraw/zinc/98/25/49/486982549.db2.gz DQYALEMJLDPWPQ-JTQLQIEISA-N 2 2 332.389 1.056 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCOC(C)(C)C3)C2)CC1 ZINC000677158602 486988885 /nfs/dbraw/zinc/98/88/85/486988885.db2.gz VOVBKNCPABFRJD-HUUCEWRRSA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCOC(C)(C)C3)C2)CC1 ZINC000677158602 486988889 /nfs/dbraw/zinc/98/88/89/486988889.db2.gz VOVBKNCPABFRJD-HUUCEWRRSA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCOC(C)(C)C3)C2)CC1 ZINC000677158600 486989364 /nfs/dbraw/zinc/98/93/64/486989364.db2.gz VOVBKNCPABFRJD-CABCVRRESA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCOC(C)(C)C3)C2)CC1 ZINC000677158600 486989371 /nfs/dbraw/zinc/98/93/71/486989371.db2.gz VOVBKNCPABFRJD-CABCVRRESA-N 2 2 338.496 1.412 20 0 EDADLP CCn1nccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000681276876 486999905 /nfs/dbraw/zinc/99/99/05/486999905.db2.gz PULLGSSGIFQVRB-UHFFFAOYSA-N 2 2 333.480 1.583 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cn1 ZINC000681389737 487031478 /nfs/dbraw/zinc/03/14/78/487031478.db2.gz KPPPPHPTNZTWOP-HOCLYGCPSA-N 2 2 338.883 1.792 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c[nH+]1 ZINC000684381803 487044025 /nfs/dbraw/zinc/04/40/25/487044025.db2.gz POOFXRRJZKHZKG-WMLDXEAASA-N 2 2 327.432 1.840 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C2 ZINC000681508121 487063034 /nfs/dbraw/zinc/06/30/34/487063034.db2.gz JQCNZHPQOZXBQS-CABCVRRESA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C2 ZINC000681508121 487063039 /nfs/dbraw/zinc/06/30/39/487063039.db2.gz JQCNZHPQOZXBQS-CABCVRRESA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000681508121 487063043 /nfs/dbraw/zinc/06/30/43/487063043.db2.gz JQCNZHPQOZXBQS-CABCVRRESA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000681508121 487063047 /nfs/dbraw/zinc/06/30/47/487063047.db2.gz JQCNZHPQOZXBQS-CABCVRRESA-N 2 2 334.464 1.296 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)o1 ZINC000684482404 487073767 /nfs/dbraw/zinc/07/37/67/487073767.db2.gz QDUHDBJCLBKVOR-LSDHHAIUSA-N 2 2 337.464 1.649 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)o1 ZINC000684482404 487073772 /nfs/dbraw/zinc/07/37/72/487073772.db2.gz QDUHDBJCLBKVOR-LSDHHAIUSA-N 2 2 337.464 1.649 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(NS(C)(=O)=O)c1 ZINC000681743268 487154255 /nfs/dbraw/zinc/15/42/55/487154255.db2.gz IQGZMAHEHPLPSN-OCCSQVGLSA-N 2 2 334.445 1.920 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000684898411 487190119 /nfs/dbraw/zinc/19/01/19/487190119.db2.gz CIIWCCUCLJPOEY-QGZVFWFLSA-N 2 2 343.475 1.706 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000684898411 487190121 /nfs/dbraw/zinc/19/01/21/487190121.db2.gz CIIWCCUCLJPOEY-QGZVFWFLSA-N 2 2 343.475 1.706 20 0 EDADLP C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000677884979 487191282 /nfs/dbraw/zinc/19/12/82/487191282.db2.gz ZCDYZMZLFUQHGF-HZPDHXFCSA-N 2 2 341.463 1.125 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000677985402 487219790 /nfs/dbraw/zinc/21/97/90/487219790.db2.gz YEXMRCGJTWVSIY-WMZOPIPTSA-N 2 2 335.492 1.288 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000677985402 487219791 /nfs/dbraw/zinc/21/97/91/487219791.db2.gz YEXMRCGJTWVSIY-WMZOPIPTSA-N 2 2 335.492 1.288 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000677985402 487219793 /nfs/dbraw/zinc/21/97/93/487219793.db2.gz YEXMRCGJTWVSIY-WMZOPIPTSA-N 2 2 335.492 1.288 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000677985402 487219794 /nfs/dbraw/zinc/21/97/94/487219794.db2.gz YEXMRCGJTWVSIY-WMZOPIPTSA-N 2 2 335.492 1.288 20 0 EDADLP Cn1nc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c2ccccc21 ZINC000678259194 487277898 /nfs/dbraw/zinc/27/78/98/487277898.db2.gz ZQPBAJOSWPKQGS-INIZCTEOSA-N 2 2 327.476 1.785 20 0 EDADLP Cn1nc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC000678259194 487277902 /nfs/dbraw/zinc/27/79/02/487277902.db2.gz ZQPBAJOSWPKQGS-INIZCTEOSA-N 2 2 327.476 1.785 20 0 EDADLP CO[C@@H]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678720747 487357133 /nfs/dbraw/zinc/35/71/33/487357133.db2.gz WUBOJIAKGSXRHC-YQQAZPJKSA-N 2 2 338.496 1.269 20 0 EDADLP CO[C@@H]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678720747 487357137 /nfs/dbraw/zinc/35/71/37/487357137.db2.gz WUBOJIAKGSXRHC-YQQAZPJKSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)n1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682500242 487377184 /nfs/dbraw/zinc/37/71/84/487377184.db2.gz QKOQGKCNCOQVOX-KRWDZBQOSA-N 2 2 333.480 1.705 20 0 EDADLP CC(C)n1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682500242 487377185 /nfs/dbraw/zinc/37/71/85/487377185.db2.gz QKOQGKCNCOQVOX-KRWDZBQOSA-N 2 2 333.480 1.705 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CC[C@@H](CO)CC3)C2)CC1 ZINC000675102063 487378135 /nfs/dbraw/zinc/37/81/35/487378135.db2.gz LIHIXSMVGNAXPI-OWCLPIDISA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CC[C@@H](CO)CC3)C2)CC1 ZINC000675102063 487378137 /nfs/dbraw/zinc/37/81/37/487378137.db2.gz LIHIXSMVGNAXPI-OWCLPIDISA-N 2 2 338.496 1.005 20 0 EDADLP CCC(O)(CC)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682625370 487399290 /nfs/dbraw/zinc/39/92/90/487399290.db2.gz MORULVDGHUWERM-OAHLLOKOSA-N 2 2 340.512 1.395 20 0 EDADLP CCC(O)(CC)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682625370 487399291 /nfs/dbraw/zinc/39/92/91/487399291.db2.gz MORULVDGHUWERM-OAHLLOKOSA-N 2 2 340.512 1.395 20 0 EDADLP Cc1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000682710003 487408178 /nfs/dbraw/zinc/40/81/78/487408178.db2.gz ZCKMZDDFISRAOM-QGZVFWFLSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000682710003 487408180 /nfs/dbraw/zinc/40/81/80/487408180.db2.gz ZCKMZDDFISRAOM-QGZVFWFLSA-N 2 2 345.491 1.700 20 0 EDADLP O=C(C[N@H+]1CC=CCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000679323565 487414508 /nfs/dbraw/zinc/41/45/08/487414508.db2.gz CHVQMVTXDICNMX-UHFFFAOYSA-N 2 2 329.444 1.397 20 0 EDADLP O=C(C[N@@H+]1CC=CCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000679323565 487414509 /nfs/dbraw/zinc/41/45/09/487414509.db2.gz CHVQMVTXDICNMX-UHFFFAOYSA-N 2 2 329.444 1.397 20 0 EDADLP C[C@@H]1N(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000675651977 487432354 /nfs/dbraw/zinc/43/23/54/487432354.db2.gz UMPDFBAISKJJIT-GJZGRUSLSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1N(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000675651977 487432356 /nfs/dbraw/zinc/43/23/56/487432356.db2.gz UMPDFBAISKJJIT-GJZGRUSLSA-N 2 2 338.496 1.364 20 0 EDADLP c1ccc2c(c1)CC[N@@H+](CCNc1nc(N3CCOCC3)cc[nH+]1)C2 ZINC000675720365 487438458 /nfs/dbraw/zinc/43/84/58/487438458.db2.gz PTMSWEOFJZSHCO-UHFFFAOYSA-N 2 2 339.443 1.783 20 0 EDADLP c1ccc2c(c1)CC[N@H+](CCNc1nc(N3CCOCC3)cc[nH+]1)C2 ZINC000675720365 487438460 /nfs/dbraw/zinc/43/84/60/487438460.db2.gz PTMSWEOFJZSHCO-UHFFFAOYSA-N 2 2 339.443 1.783 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000676037981 487467893 /nfs/dbraw/zinc/46/78/93/487467893.db2.gz MBZGLQOVISCFLY-KBPBESRZSA-N 2 2 340.431 1.178 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668253282 485515622 /nfs/dbraw/zinc/51/56/22/485515622.db2.gz BHFVQJCRMSLOLL-IEBWSBKVSA-N 2 2 345.487 1.703 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668253282 485515628 /nfs/dbraw/zinc/51/56/28/485515628.db2.gz BHFVQJCRMSLOLL-IEBWSBKVSA-N 2 2 345.487 1.703 20 0 EDADLP COc1ccc(C2(CNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])CCC2)cc1 ZINC000669557512 485562139 /nfs/dbraw/zinc/56/21/39/485562139.db2.gz RZFBWEGJCUYCDS-INIZCTEOSA-N 2 2 346.475 1.401 20 0 EDADLP COc1ccc(C2(CNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])CCC2)cc1 ZINC000669557512 485562145 /nfs/dbraw/zinc/56/21/45/485562145.db2.gz RZFBWEGJCUYCDS-INIZCTEOSA-N 2 2 346.475 1.401 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000669224385 485830961 /nfs/dbraw/zinc/83/09/61/485830961.db2.gz VLZDGFRPOOPFHB-LSDHHAIUSA-N 2 2 346.475 1.664 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000669224385 485830964 /nfs/dbraw/zinc/83/09/64/485830964.db2.gz VLZDGFRPOOPFHB-LSDHHAIUSA-N 2 2 346.475 1.664 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000343668004 485937031 /nfs/dbraw/zinc/93/70/31/485937031.db2.gz SICRYGBAODCFGI-WBVHZDCISA-N 2 2 332.448 1.357 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CC[NH+](C)CC1 ZINC000672009932 486053194 /nfs/dbraw/zinc/05/31/94/486053194.db2.gz KPIFOTXSRCCKCX-HIFRSBDPSA-N 2 2 347.463 1.310 20 0 EDADLP O=C1COc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2N1 ZINC000668691769 486055835 /nfs/dbraw/zinc/05/58/35/486055835.db2.gz BUWWNNMTFZRZON-HNNXBMFYSA-N 2 2 331.416 1.360 20 0 EDADLP CN(C(=O)COc1ccsc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669704273 486105570 /nfs/dbraw/zinc/10/55/70/486105570.db2.gz ZPLOJWZFWWZQIU-HNNXBMFYSA-N 2 2 337.489 1.754 20 0 EDADLP CN(C(=O)COc1ccsc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669704273 486105576 /nfs/dbraw/zinc/10/55/76/486105576.db2.gz ZPLOJWZFWWZQIU-HNNXBMFYSA-N 2 2 337.489 1.754 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C1 ZINC000668741737 486114133 /nfs/dbraw/zinc/11/41/33/486114133.db2.gz ZOBBHXHHZDHDAE-QGZVFWFLSA-N 2 2 327.432 1.503 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C1 ZINC000668741737 486114141 /nfs/dbraw/zinc/11/41/41/486114141.db2.gz ZOBBHXHHZDHDAE-QGZVFWFLSA-N 2 2 327.432 1.503 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000668846519 486255983 /nfs/dbraw/zinc/25/59/83/486255983.db2.gz RLURGIGRDMJNRY-ZWKOTPCHSA-N 2 2 346.475 1.501 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052587443 486558760 /nfs/dbraw/zinc/55/87/60/486558760.db2.gz VWGXIBNNYZUPQO-KFWWJZLASA-N 2 2 344.459 1.959 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052587443 486558765 /nfs/dbraw/zinc/55/87/65/486558765.db2.gz VWGXIBNNYZUPQO-KFWWJZLASA-N 2 2 344.459 1.959 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)ccc2[nH+]1 ZINC000519528721 486640432 /nfs/dbraw/zinc/64/04/32/486640432.db2.gz MIEIBKOOSXUQFT-SFHVURJKSA-N 2 2 341.415 1.183 20 0 EDADLP C[C@H](O)CCN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000159184991 534059429 /nfs/dbraw/zinc/05/94/29/534059429.db2.gz ASBMYDUEWRSMFY-YOEHRIQHSA-N 2 2 330.432 1.031 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340213610 534910247 /nfs/dbraw/zinc/91/02/47/534910247.db2.gz BUTFKDYTLDHVBR-OAHLLOKOSA-N 2 2 349.479 1.003 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000340213610 534910252 /nfs/dbraw/zinc/91/02/52/534910252.db2.gz BUTFKDYTLDHVBR-OAHLLOKOSA-N 2 2 349.479 1.003 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CCCOCC2)c[nH+]1 ZINC000186884624 528303951 /nfs/dbraw/zinc/30/39/51/528303951.db2.gz ZYSLHEKCGJVLSY-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CCCOCC2)c[nH+]1 ZINC000186884624 528303957 /nfs/dbraw/zinc/30/39/57/528303957.db2.gz ZYSLHEKCGJVLSY-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2nccs2)[C@H](C)C1 ZINC000187011471 528668067 /nfs/dbraw/zinc/66/80/67/528668067.db2.gz FGZLSWPLWQZMDL-KGLIPLIRSA-N 2 2 340.493 1.808 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2nccs2)[C@H](C)C1 ZINC000187011471 528668072 /nfs/dbraw/zinc/66/80/72/528668072.db2.gz FGZLSWPLWQZMDL-KGLIPLIRSA-N 2 2 340.493 1.808 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CC[NH+]2CCOCC2)C12CCOCC2 ZINC000346553004 535415974 /nfs/dbraw/zinc/41/59/74/535415974.db2.gz FNYPHLGZJQDJEK-BRWVUGGUSA-N 2 2 326.481 1.661 20 0 EDADLP CCOC(=O)CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348078095 535632334 /nfs/dbraw/zinc/63/23/34/535632334.db2.gz GOGWXKKRIIZJQI-GJZGRUSLSA-N 2 2 340.443 1.608 20 0 EDADLP CCOC(=O)CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348078095 535632339 /nfs/dbraw/zinc/63/23/39/535632339.db2.gz GOGWXKKRIIZJQI-GJZGRUSLSA-N 2 2 340.443 1.608 20 0 EDADLP CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262677965 535889956 /nfs/dbraw/zinc/88/99/56/535889956.db2.gz UXOQPYOTYWSQRS-WBAXXEDZSA-N 2 2 344.459 1.324 20 0 EDADLP CCn1cc(C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000263225628 536023670 /nfs/dbraw/zinc/02/36/70/536023670.db2.gz GIMQYGNTUCJRMY-HNNXBMFYSA-N 2 2 342.447 1.421 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C(C)(C)C)n[nH]3)CC2)CC1 ZINC000124359717 536340256 /nfs/dbraw/zinc/34/02/56/536340256.db2.gz QINCBJLWSWAYLD-UHFFFAOYSA-N 2 2 347.507 1.996 20 0 EDADLP Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccn12 ZINC000741221009 579401996 /nfs/dbraw/zinc/40/19/96/579401996.db2.gz YDFKWZBDIUMWAZ-OAHLLOKOSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1nc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccn12 ZINC000741221009 579401997 /nfs/dbraw/zinc/40/19/97/579401997.db2.gz YDFKWZBDIUMWAZ-OAHLLOKOSA-N 2 2 341.459 1.541 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000725895691 578300991 /nfs/dbraw/zinc/30/09/91/578300991.db2.gz IQZPTFISELESOY-ZWKOTPCHSA-N 2 2 340.427 1.524 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000725895691 578300993 /nfs/dbraw/zinc/30/09/93/578300993.db2.gz IQZPTFISELESOY-ZWKOTPCHSA-N 2 2 340.427 1.524 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000735292156 578874350 /nfs/dbraw/zinc/87/43/50/578874350.db2.gz OGALFGJCFRYHIC-BPQIPLTHSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000735292156 578874351 /nfs/dbraw/zinc/87/43/51/578874351.db2.gz OGALFGJCFRYHIC-BPQIPLTHSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1C[C@@H](O)c1ccccc1 ZINC000735292156 578874352 /nfs/dbraw/zinc/87/43/52/578874352.db2.gz OGALFGJCFRYHIC-BPQIPLTHSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1C[C@@H](O)c1ccccc1 ZINC000735292156 578874353 /nfs/dbraw/zinc/87/43/53/578874353.db2.gz OGALFGJCFRYHIC-BPQIPLTHSA-N 2 2 331.460 1.347 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2=NO[C@H](c3ccccc3)C2)CC1 ZINC000748747500 579699141 /nfs/dbraw/zinc/69/91/41/579699141.db2.gz SZMSSYGIDCVXCZ-SFHVURJKSA-N 2 2 344.459 1.646 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000749006691 579709887 /nfs/dbraw/zinc/70/98/87/579709887.db2.gz URHNETHEFAYASR-UHFFFAOYSA-N 3 2 343.585 1.064 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000749210638 579716885 /nfs/dbraw/zinc/71/68/85/579716885.db2.gz MIZUCBGTHSDYLZ-UHFFFAOYSA-N 2 2 325.376 1.272 20 0 EDADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000752831379 579866720 /nfs/dbraw/zinc/86/67/20/579866720.db2.gz JTLREILKVBQFFZ-HLLBOEOZSA-N 2 2 345.491 1.221 20 0 EDADLP Cc1ccc(-n2c[nH+]c3c2CCN(C[C@H](O)C[NH+]2CCCC2)C3)cc1 ZINC000753792338 579887446 /nfs/dbraw/zinc/88/74/46/579887446.db2.gz JMPIILOEWZVYEQ-GOSISDBHSA-N 2 2 340.471 1.996 20 0 EDADLP CN(C)c1cc[nH+]c(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000754095015 579896353 /nfs/dbraw/zinc/89/63/53/579896353.db2.gz NHGBFHSLYMGMPI-UHFFFAOYSA-N 2 2 332.496 1.397 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](CCO)c2cccs2)CC1 ZINC000754391033 579902616 /nfs/dbraw/zinc/90/26/16/579902616.db2.gz XHJGPJYKPCCGIC-KBPBESRZSA-N 2 2 325.478 1.314 20 0 EDADLP Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)s1 ZINC000754674104 579909186 /nfs/dbraw/zinc/90/91/86/579909186.db2.gz LXTPPCVSQHOYFD-AWEZNQCLSA-N 2 2 339.505 1.934 20 0 EDADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nc2n(c1=O)CCCC2 ZINC000758323510 579979774 /nfs/dbraw/zinc/97/97/74/579979774.db2.gz VWMGVSFFKDBWRM-UHFFFAOYSA-N 2 2 343.475 1.922 20 0 EDADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nc2n(c1=O)CCCC2 ZINC000758323510 579979775 /nfs/dbraw/zinc/97/97/75/579979775.db2.gz VWMGVSFFKDBWRM-UHFFFAOYSA-N 2 2 343.475 1.922 20 0 EDADLP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC000763231193 580095805 /nfs/dbraw/zinc/09/58/05/580095805.db2.gz YHUFITLHICNJMH-IYBDPMFKSA-N 2 2 341.459 1.623 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(O)CC[NH+](C)CC3)CC2)cc1 ZINC000766123470 580159701 /nfs/dbraw/zinc/15/97/01/580159701.db2.gz PCXDHMVOWZECTP-UHFFFAOYSA-N 3 2 346.519 1.768 20 0 EDADLP C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000766323566 580164630 /nfs/dbraw/zinc/16/46/30/580164630.db2.gz CWCYYOCYLQGQCU-CQSZACIVSA-N 2 2 348.472 1.947 20 0 EDADLP Cc1cc(-n2c(C)cn(C[N@H+](C)CCCn3cc[nH+]c3)c2=O)no1 ZINC000767758472 580198727 /nfs/dbraw/zinc/19/87/27/580198727.db2.gz BREBKEYPHYKTML-UHFFFAOYSA-N 2 2 330.392 1.420 20 0 EDADLP Cc1cc(-n2c(C)cn(C[N@@H+](C)CCCn3cc[nH+]c3)c2=O)no1 ZINC000767758472 580198728 /nfs/dbraw/zinc/19/87/28/580198728.db2.gz BREBKEYPHYKTML-UHFFFAOYSA-N 2 2 330.392 1.420 20 0 EDADLP CC[N@H+](CCC1CC[NH+](Cn2cnc(C(=O)OC)n2)CC1)CC1CC1 ZINC000770683858 580267642 /nfs/dbraw/zinc/26/76/42/580267642.db2.gz GCMAIXAVTZSPNE-UHFFFAOYSA-N 2 2 349.479 1.856 20 0 EDADLP CC[N@@H+](CCC1CC[NH+](Cn2cnc(C(=O)OC)n2)CC1)CC1CC1 ZINC000770683858 580267643 /nfs/dbraw/zinc/26/76/43/580267643.db2.gz GCMAIXAVTZSPNE-UHFFFAOYSA-N 2 2 349.479 1.856 20 0 EDADLP CON(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000774651316 580368994 /nfs/dbraw/zinc/36/89/94/580368994.db2.gz TVAHKSKNDHFSJR-IBGZPJMESA-N 2 2 331.460 1.994 20 0 EDADLP CON(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000774651316 580368995 /nfs/dbraw/zinc/36/89/95/580368995.db2.gz TVAHKSKNDHFSJR-IBGZPJMESA-N 2 2 331.460 1.994 20 0 EDADLP CON(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000774651316 580368996 /nfs/dbraw/zinc/36/89/96/580368996.db2.gz TVAHKSKNDHFSJR-IBGZPJMESA-N 2 2 331.460 1.994 20 0 EDADLP CON(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000774651316 580368997 /nfs/dbraw/zinc/36/89/97/580368997.db2.gz TVAHKSKNDHFSJR-IBGZPJMESA-N 2 2 331.460 1.994 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000783993907 580610950 /nfs/dbraw/zinc/61/09/50/580610950.db2.gz NLYLOKPSRMPPKC-DLBZAZTESA-N 2 2 345.491 1.644 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)S1 ZINC000792257022 580815391 /nfs/dbraw/zinc/81/53/91/580815391.db2.gz VMWDPDGFQBDUQF-CYBMUJFWSA-N 2 2 337.489 1.971 20 0 EDADLP Cc1[nH+]ccc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c1Cl ZINC000798394003 580995992 /nfs/dbraw/zinc/99/59/92/580995992.db2.gz AKYHYAHVUGAZNL-UHFFFAOYSA-N 2 2 331.869 1.386 20 0 EDADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000799943976 581039416 /nfs/dbraw/zinc/03/94/16/581039416.db2.gz WQQBNJFEOFHTCU-GOEBONIOSA-N 2 2 332.448 1.604 20 0 EDADLP CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000799943976 581039417 /nfs/dbraw/zinc/03/94/17/581039417.db2.gz WQQBNJFEOFHTCU-GOEBONIOSA-N 2 2 332.448 1.604 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)CCO1 ZINC000800337548 581050796 /nfs/dbraw/zinc/05/07/96/581050796.db2.gz DQIVINPSUUIRNK-NLWGTHIKSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)CCO1 ZINC000800337548 581050797 /nfs/dbraw/zinc/05/07/97/581050797.db2.gz DQIVINPSUUIRNK-NLWGTHIKSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)CCO1 ZINC000800337548 581050798 /nfs/dbraw/zinc/05/07/98/581050798.db2.gz DQIVINPSUUIRNK-NLWGTHIKSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C[C@@H](O)c3ccccc3)[C@@H](C)C2)CCO1 ZINC000800337548 581050799 /nfs/dbraw/zinc/05/07/99/581050799.db2.gz DQIVINPSUUIRNK-NLWGTHIKSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@H]1CN(c2nc(N)[nH+]c(C(C)(C)C)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000893046754 590635037 /nfs/dbraw/zinc/63/50/37/590635037.db2.gz HXDUNOBDKGWMOU-KBPBESRZSA-N 2 2 347.511 1.214 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c[nH+]1 ZINC000891829652 590640914 /nfs/dbraw/zinc/64/09/14/590640914.db2.gz OUAKMNJARAQLMD-JKSUJKDBSA-N 2 2 331.464 1.773 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c[nH+]1 ZINC000891829652 590640920 /nfs/dbraw/zinc/64/09/20/590640920.db2.gz OUAKMNJARAQLMD-JKSUJKDBSA-N 2 2 331.464 1.773 20 0 EDADLP Nc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)c[nH+]1 ZINC000891966014 590712591 /nfs/dbraw/zinc/71/25/91/590712591.db2.gz MBLUQQMXPYZETI-CQSZACIVSA-N 2 2 328.869 1.937 20 0 EDADLP C[NH+]1CCC(CNC(=O)NC/C=C\Cl)([NH+]2CCCCC2)CC1 ZINC000893266599 590744472 /nfs/dbraw/zinc/74/44/72/590744472.db2.gz HRMZFMWJSNBDRB-YVMONPNESA-N 2 2 328.888 1.988 20 0 EDADLP C[NH2+]CCOCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892280208 590910471 /nfs/dbraw/zinc/91/04/71/590910471.db2.gz IVZSAVLDLWRVFY-INIZCTEOSA-N 2 2 331.420 1.160 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)c1 ZINC000892305216 590927652 /nfs/dbraw/zinc/92/76/52/590927652.db2.gz AVDLGPWBLDMMPG-CGTJXYLNSA-N 2 2 346.475 1.245 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)c1 ZINC000892305216 590927655 /nfs/dbraw/zinc/92/76/55/590927655.db2.gz AVDLGPWBLDMMPG-CGTJXYLNSA-N 2 2 346.475 1.245 20 0 EDADLP CC[NH+]1CCN(C(=O)CNc2cc(Br)cc(C)[nH+]2)CC1 ZINC000892314218 590938165 /nfs/dbraw/zinc/93/81/65/590938165.db2.gz KJDBVCLFWMPTJP-UHFFFAOYSA-N 2 2 341.253 1.729 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(N3CCN(C(=O)C[NH+](CC)CC)CC3)c12 ZINC000892331474 590957697 /nfs/dbraw/zinc/95/76/97/590957697.db2.gz WZJLQLAXYKATGP-UHFFFAOYSA-N 2 2 344.463 1.511 20 0 EDADLP CC(C)NC(=O)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892408271 591015668 /nfs/dbraw/zinc/01/56/68/591015668.db2.gz AVHGUDIFKUGNRI-UHFFFAOYSA-N 2 2 342.484 1.090 20 0 EDADLP Cn1ncc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000892553512 591070050 /nfs/dbraw/zinc/07/00/50/591070050.db2.gz NZQPNJCEEROZHV-LJQANCHMSA-N 2 2 340.471 1.806 20 0 EDADLP Cn1ncc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1C1CC1 ZINC000892553512 591070051 /nfs/dbraw/zinc/07/00/51/591070051.db2.gz NZQPNJCEEROZHV-LJQANCHMSA-N 2 2 340.471 1.806 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000892568507 591075192 /nfs/dbraw/zinc/07/51/92/591075192.db2.gz VCTUOFUYWBLPON-TVFCKZIOSA-N 2 2 344.459 1.019 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000892568507 591075195 /nfs/dbraw/zinc/07/51/95/591075195.db2.gz VCTUOFUYWBLPON-TVFCKZIOSA-N 2 2 344.459 1.019 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)cc1 ZINC000892565301 591075369 /nfs/dbraw/zinc/07/53/69/591075369.db2.gz HFGPQFXPWARGIU-KZNAEPCWSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)cc1 ZINC000892565301 591075374 /nfs/dbraw/zinc/07/53/74/591075374.db2.gz HFGPQFXPWARGIU-KZNAEPCWSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC([NH3+])CC3)C2)cc1 ZINC000892611532 591095657 /nfs/dbraw/zinc/09/56/57/591095657.db2.gz OIGVMJAWESSYJV-GOSISDBHSA-N 2 2 346.475 1.329 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC([NH3+])CC3)C2)cc1 ZINC000892611532 591095661 /nfs/dbraw/zinc/09/56/61/591095661.db2.gz OIGVMJAWESSYJV-GOSISDBHSA-N 2 2 346.475 1.329 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000891561132 591125985 /nfs/dbraw/zinc/12/59/85/591125985.db2.gz URVPGOSCMWQUBG-HOTGVXAUSA-N 3 2 337.512 1.068 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000891561132 591125986 /nfs/dbraw/zinc/12/59/86/591125986.db2.gz URVPGOSCMWQUBG-HOTGVXAUSA-N 3 2 337.512 1.068 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(C(F)(F)F)s2)[C@H](C[NH3+])C1 ZINC000892699254 591136705 /nfs/dbraw/zinc/13/67/05/591136705.db2.gz DPBVSROECOKUMC-SECBINFHSA-N 2 2 336.383 1.551 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(C(F)(F)F)s2)[C@H](C[NH3+])C1 ZINC000892699254 591136709 /nfs/dbraw/zinc/13/67/09/591136709.db2.gz DPBVSROECOKUMC-SECBINFHSA-N 2 2 336.383 1.551 20 0 EDADLP C[NH+]1CCC(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000892722292 591148367 /nfs/dbraw/zinc/14/83/67/591148367.db2.gz HFFVCMZEFALSMJ-UHFFFAOYSA-N 3 2 347.503 1.829 20 0 EDADLP CCn1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)nn1 ZINC000892724682 591148923 /nfs/dbraw/zinc/14/89/23/591148923.db2.gz ZFJVYLPVBRCUMZ-UHFFFAOYSA-N 2 2 345.447 1.299 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000892731268 591151693 /nfs/dbraw/zinc/15/16/93/591151693.db2.gz OFOYBUHXVNYVQN-WDEREUQCSA-N 2 2 331.342 1.291 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000892731268 591151697 /nfs/dbraw/zinc/15/16/97/591151697.db2.gz OFOYBUHXVNYVQN-WDEREUQCSA-N 2 2 331.342 1.291 20 0 EDADLP CC1(O)CCC([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000892750973 591159674 /nfs/dbraw/zinc/15/96/74/591159674.db2.gz OJIBKXVCUVSCLQ-UHFFFAOYSA-N 2 2 346.475 1.404 20 0 EDADLP C[NH+](C)C[C@H](O)CNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC000891746164 591208559 /nfs/dbraw/zinc/20/85/59/591208559.db2.gz QRFSUKZDKJFOBF-LLVKDONJSA-N 2 2 330.367 1.289 20 0 EDADLP C[NH+](C)C[C@@](C)(O)CNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC000892956233 591239484 /nfs/dbraw/zinc/23/94/84/591239484.db2.gz ULKJNRBFRKXRQI-KRWDZBQOSA-N 2 2 344.394 1.679 20 0 EDADLP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)C2 ZINC000895686011 591248946 /nfs/dbraw/zinc/24/89/46/591248946.db2.gz PPYKNVCEPMWCLX-OAQYLSRUSA-N 2 2 343.515 1.788 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC=C(Cl)C3)C2)CC1 ZINC000893022354 591257589 /nfs/dbraw/zinc/25/75/89/591257589.db2.gz LHMVQWZQMPEFMI-CQSZACIVSA-N 2 2 326.872 1.693 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC=C(Cl)C3)C2)CC1 ZINC000893022354 591257590 /nfs/dbraw/zinc/25/75/90/591257590.db2.gz LHMVQWZQMPEFMI-CQSZACIVSA-N 2 2 326.872 1.693 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cncs1 ZINC000893023259 591258463 /nfs/dbraw/zinc/25/84/63/591258463.db2.gz OGPLQYHHNILNON-OLZOCXBDSA-N 2 2 337.493 1.672 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cncs1 ZINC000893023259 591258466 /nfs/dbraw/zinc/25/84/66/591258466.db2.gz OGPLQYHHNILNON-OLZOCXBDSA-N 2 2 337.493 1.672 20 0 EDADLP CCc1onc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000894425361 591308440 /nfs/dbraw/zinc/30/84/40/591308440.db2.gz KAIFFRAZMQTLEC-GOOCMWNKSA-N 2 2 334.464 1.719 20 0 EDADLP CCc1onc(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000894425361 591308443 /nfs/dbraw/zinc/30/84/43/591308443.db2.gz KAIFFRAZMQTLEC-GOOCMWNKSA-N 2 2 334.464 1.719 20 0 EDADLP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437388 591351945 /nfs/dbraw/zinc/35/19/45/591351945.db2.gz UZSLSADJSFWOHC-SZOQZIPDSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437388 591351947 /nfs/dbraw/zinc/35/19/47/591351947.db2.gz UZSLSADJSFWOHC-SZOQZIPDSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H](CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437388 591351949 /nfs/dbraw/zinc/35/19/49/591351949.db2.gz UZSLSADJSFWOHC-SZOQZIPDSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H](CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437388 591351952 /nfs/dbraw/zinc/35/19/52/591351952.db2.gz UZSLSADJSFWOHC-SZOQZIPDSA-N 2 2 349.479 1.404 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)n[nH]1 ZINC000896132122 591354367 /nfs/dbraw/zinc/35/43/67/591354367.db2.gz KXYAZZVNYSRVMV-MRXNPFEDSA-N 2 2 327.388 1.475 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)n[nH]1 ZINC000896132122 591354372 /nfs/dbraw/zinc/35/43/72/591354372.db2.gz KXYAZZVNYSRVMV-MRXNPFEDSA-N 2 2 327.388 1.475 20 0 EDADLP CC1(C)CC[N@H+](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000898597459 591430171 /nfs/dbraw/zinc/43/01/71/591430171.db2.gz HRGNXZKIEHIQQD-UHFFFAOYSA-N 2 2 345.491 1.641 20 0 EDADLP CC1(C)CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000898597459 591430173 /nfs/dbraw/zinc/43/01/73/591430173.db2.gz HRGNXZKIEHIQQD-UHFFFAOYSA-N 2 2 345.491 1.641 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)CCCN1 ZINC000898719907 591483721 /nfs/dbraw/zinc/48/37/21/591483721.db2.gz HWPXZKLQZRGHAK-ZJUUUORDSA-N 2 2 327.226 1.219 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000894954661 591499421 /nfs/dbraw/zinc/49/94/21/591499421.db2.gz MDUZBKAKVGBHQK-KDYLLFBJSA-N 2 2 327.469 1.479 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(N3CCC([NH+]4CCN(C)CC4)CC3)c12 ZINC000895027041 591533328 /nfs/dbraw/zinc/53/33/28/591533328.db2.gz BSUXHVYICZNKIB-UHFFFAOYSA-N 2 2 328.464 1.737 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000896595088 591545945 /nfs/dbraw/zinc/54/59/45/591545945.db2.gz NCKYZXBFDBQESW-ZDUSSCGKSA-N 2 2 341.525 1.980 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000896604850 591549901 /nfs/dbraw/zinc/54/99/01/591549901.db2.gz ZAYHKBGLOSFDQX-KBAYOESNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000896604850 591549902 /nfs/dbraw/zinc/54/99/02/591549902.db2.gz ZAYHKBGLOSFDQX-KBAYOESNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000896604850 591549904 /nfs/dbraw/zinc/54/99/04/591549904.db2.gz ZAYHKBGLOSFDQX-KBAYOESNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000896604850 591549906 /nfs/dbraw/zinc/54/99/06/591549906.db2.gz ZAYHKBGLOSFDQX-KBAYOESNSA-N 2 2 331.460 1.486 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)N[C@H]2CCn3cc[nH+]c32)[C@H](c2ccccc2)C1 ZINC000895078860 591571215 /nfs/dbraw/zinc/57/12/15/591571215.db2.gz ZGYBPMDPUZDXRS-IKGGRYGDSA-N 2 2 339.443 1.973 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)N[C@H]2CCn3cc[nH+]c32)[C@H](c2ccccc2)C1 ZINC000895078860 591571220 /nfs/dbraw/zinc/57/12/20/591571220.db2.gz ZGYBPMDPUZDXRS-IKGGRYGDSA-N 2 2 339.443 1.973 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000898888419 591580056 /nfs/dbraw/zinc/58/00/56/591580056.db2.gz OSYASOBEBPFIRL-JKSUJKDBSA-N 2 2 346.406 1.373 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000898888419 591580058 /nfs/dbraw/zinc/58/00/58/591580058.db2.gz OSYASOBEBPFIRL-JKSUJKDBSA-N 2 2 346.406 1.373 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000895117019 591596776 /nfs/dbraw/zinc/59/67/76/591596776.db2.gz ZGBHXZCYISXEDP-OWLYRPNTSA-N 2 2 336.501 1.745 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000895117019 591596777 /nfs/dbraw/zinc/59/67/77/591596777.db2.gz ZGBHXZCYISXEDP-OWLYRPNTSA-N 2 2 336.501 1.745 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc[nH+]1 ZINC000895136842 591611530 /nfs/dbraw/zinc/61/15/30/591611530.db2.gz LDFCZJCVRPVEJS-LSDHHAIUSA-N 2 2 342.447 1.770 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)[nH+]cn1 ZINC000895136842 591611532 /nfs/dbraw/zinc/61/15/32/591611532.db2.gz LDFCZJCVRPVEJS-LSDHHAIUSA-N 2 2 342.447 1.770 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c[nH+]1 ZINC000897678226 591617137 /nfs/dbraw/zinc/61/71/37/591617137.db2.gz HVGZMCSICDJYAI-MRXNPFEDSA-N 2 2 334.464 1.497 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)n[nH]1 ZINC000896828349 591622944 /nfs/dbraw/zinc/62/29/44/591622944.db2.gz UIXZNTPNWIVOEE-KRWDZBQOSA-N 2 2 347.463 1.113 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)n[nH]1 ZINC000896828349 591622948 /nfs/dbraw/zinc/62/29/48/591622948.db2.gz UIXZNTPNWIVOEE-KRWDZBQOSA-N 2 2 347.463 1.113 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000898991985 591623929 /nfs/dbraw/zinc/62/39/29/591623929.db2.gz MLQXXRLHIQXKBB-JYJNAYRXSA-N 2 2 328.501 1.371 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000898991985 591623931 /nfs/dbraw/zinc/62/39/31/591623931.db2.gz MLQXXRLHIQXKBB-JYJNAYRXSA-N 2 2 328.501 1.371 20 0 EDADLP CC1=NO[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000895301680 591705273 /nfs/dbraw/zinc/70/52/73/591705273.db2.gz JSORKGSEAIRBRI-SFHVURJKSA-N 2 2 333.432 1.652 20 0 EDADLP C[C@H](CC[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000895429249 591753834 /nfs/dbraw/zinc/75/38/34/591753834.db2.gz LTTANAYZQCDXCO-OAHLLOKOSA-N 3 2 342.528 1.905 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCc2nnnn2C)C[N@H+](Cc2ccccc2)C1 ZINC000898039960 591765998 /nfs/dbraw/zinc/76/59/98/591765998.db2.gz LMCSHSZSFLLXPJ-NVXWUHKLSA-N 2 2 328.464 1.643 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCc2nnnn2C)C[N@@H+](Cc2ccccc2)C1 ZINC000898039960 591765999 /nfs/dbraw/zinc/76/59/99/591765999.db2.gz LMCSHSZSFLLXPJ-NVXWUHKLSA-N 2 2 328.464 1.643 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1C ZINC000895473278 591769477 /nfs/dbraw/zinc/76/94/77/591769477.db2.gz KYDLXHSOZRKTCB-UHFFFAOYSA-N 2 2 328.416 1.837 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCC3(C[C@@H]2F)OCCO3)CCO1 ZINC000895473457 591769529 /nfs/dbraw/zinc/76/95/29/591769529.db2.gz NULBJBMUWLVSSG-PMPSAXMXSA-N 2 2 330.444 1.663 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCC3(C[C@@H]2F)OCCO3)CCO1 ZINC000895473457 591769532 /nfs/dbraw/zinc/76/95/32/591769532.db2.gz NULBJBMUWLVSSG-PMPSAXMXSA-N 2 2 330.444 1.663 20 0 EDADLP Nc1nc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nc(C2CCCC2)[nH+]1 ZINC000897218752 591773003 /nfs/dbraw/zinc/77/30/03/591773003.db2.gz GFHQLIUJRBPKDR-ZIAGYGMSSA-N 2 2 332.452 1.147 20 0 EDADLP Nc1nc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)nc(C2CCCC2)[nH+]1 ZINC000897218752 591773005 /nfs/dbraw/zinc/77/30/05/591773005.db2.gz GFHQLIUJRBPKDR-ZIAGYGMSSA-N 2 2 332.452 1.147 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H](c2ccccc2)C1 ZINC000895527108 591788720 /nfs/dbraw/zinc/78/87/20/591788720.db2.gz UODKEFRKIXLULC-ZWKOTPCHSA-N 2 2 329.444 1.222 20 0 EDADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H](c2ccccc2)C1 ZINC000895527108 591788725 /nfs/dbraw/zinc/78/87/25/591788725.db2.gz UODKEFRKIXLULC-ZWKOTPCHSA-N 2 2 329.444 1.222 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2-c2[nH]cc[nH+]2)n1 ZINC000909636767 591876451 /nfs/dbraw/zinc/87/64/51/591876451.db2.gz AQKCDILAHGHOKM-UHFFFAOYSA-N 2 2 338.415 1.765 20 0 EDADLP C/C(=C/C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900198220 591938428 /nfs/dbraw/zinc/93/84/28/591938428.db2.gz UVIHBAFNHIDPEB-BBLCHGJFSA-N 2 2 337.508 1.892 20 0 EDADLP O=C(CNc1cccc[nH+]1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000900247133 591958629 /nfs/dbraw/zinc/95/86/29/591958629.db2.gz QAWFXCGGHYECIM-UHFFFAOYSA-N 2 2 325.416 1.669 20 0 EDADLP COc1cccc(C[NH+]2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC000900286057 591971980 /nfs/dbraw/zinc/97/19/80/591971980.db2.gz FAUNMYKYDXOZGO-UHFFFAOYSA-N 2 2 328.416 1.742 20 0 EDADLP COc1cccc(C[NH+]2CCC(NC(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000900286057 591971982 /nfs/dbraw/zinc/97/19/82/591971982.db2.gz FAUNMYKYDXOZGO-UHFFFAOYSA-N 2 2 328.416 1.742 20 0 EDADLP c1cc(NCCCCC[NH+]2CCNCC2)nc(N2CCCCC2)[nH+]1 ZINC000900358264 591994276 /nfs/dbraw/zinc/99/42/76/591994276.db2.gz OLMKHHJXNAQJQW-UHFFFAOYSA-N 2 2 332.496 1.954 20 0 EDADLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000902448298 591998237 /nfs/dbraw/zinc/99/82/37/591998237.db2.gz YICYOWHGVQMXRW-WFASDCNBSA-N 2 2 325.478 1.586 20 0 EDADLP Cc1[nH]nc(Cl)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900445742 592029372 /nfs/dbraw/zinc/02/93/72/592029372.db2.gz KPQSNWHWTDMCPM-UHFFFAOYSA-N 2 2 339.871 1.660 20 0 EDADLP C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902741340 592055202 /nfs/dbraw/zinc/05/52/02/592055202.db2.gz BDEQRSVCOCWNDI-AWEZNQCLSA-N 2 2 328.416 1.805 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900598315 592064070 /nfs/dbraw/zinc/06/40/70/592064070.db2.gz MPJVENLEPNCTPX-SFHVURJKSA-N 2 2 347.507 1.771 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)nn1 ZINC000902796107 592064582 /nfs/dbraw/zinc/06/45/82/592064582.db2.gz JGGRWUFLYOAZLH-AWEZNQCLSA-N 2 2 336.484 1.281 20 0 EDADLP C/C(=C/C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900656489 592082121 /nfs/dbraw/zinc/08/21/21/592082121.db2.gz UWEPFWZHYFSODZ-FDWYHIAWSA-N 2 2 345.487 1.902 20 0 EDADLP C/C(=C/C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900656489 592082123 /nfs/dbraw/zinc/08/21/23/592082123.db2.gz UWEPFWZHYFSODZ-FDWYHIAWSA-N 2 2 345.487 1.902 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000902940542 592087863 /nfs/dbraw/zinc/08/78/63/592087863.db2.gz SLVQNLFOXXAJDF-INIZCTEOSA-N 2 2 334.464 1.981 20 0 EDADLP COCCNC(=O)C1([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903016349 592096476 /nfs/dbraw/zinc/09/64/76/592096476.db2.gz FMEFIIUIWRADDI-CQSZACIVSA-N 2 2 328.416 1.818 20 0 EDADLP C[C@@H]1CCc2[nH]nc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000900692972 592096789 /nfs/dbraw/zinc/09/67/89/592096789.db2.gz MFDJQRIBRXHXGG-CQSZACIVSA-N 2 2 347.507 1.633 20 0 EDADLP C[C@@H]1CCc2[nH]nc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000900692972 592096791 /nfs/dbraw/zinc/09/67/91/592096791.db2.gz MFDJQRIBRXHXGG-CQSZACIVSA-N 2 2 347.507 1.633 20 0 EDADLP C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903071398 592119481 /nfs/dbraw/zinc/11/94/81/592119481.db2.gz IGYBVEVUZOIYEK-ZDUSSCGKSA-N 2 2 349.460 1.014 20 0 EDADLP CCc1[nH+]c2ccccc2n1CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900788749 592124097 /nfs/dbraw/zinc/12/40/97/592124097.db2.gz XDQQTDLQIWZKRP-UGSOOPFHSA-N 2 2 330.432 1.170 20 0 EDADLP CCc1[nH+]c2ccccc2n1CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900788749 592124101 /nfs/dbraw/zinc/12/41/01/592124101.db2.gz XDQQTDLQIWZKRP-UGSOOPFHSA-N 2 2 330.432 1.170 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CC[NH+]1C ZINC000900809937 592131680 /nfs/dbraw/zinc/13/16/80/592131680.db2.gz FPEGVTJTIJLPHB-KANFNMMFSA-N 2 2 344.503 1.082 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CC[NH+]1C ZINC000900809937 592131681 /nfs/dbraw/zinc/13/16/81/592131681.db2.gz FPEGVTJTIJLPHB-KANFNMMFSA-N 2 2 344.503 1.082 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900809937 592131683 /nfs/dbraw/zinc/13/16/83/592131683.db2.gz FPEGVTJTIJLPHB-KANFNMMFSA-N 2 2 344.503 1.082 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900809937 592131685 /nfs/dbraw/zinc/13/16/85/592131685.db2.gz FPEGVTJTIJLPHB-KANFNMMFSA-N 2 2 344.503 1.082 20 0 EDADLP CCC/C=C\[C@@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000900858253 592149142 /nfs/dbraw/zinc/14/91/42/592149142.db2.gz PACCLWWZGNXAKI-UXHZXRBQSA-N 2 2 337.508 1.770 20 0 EDADLP CS(=O)(=O)N(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000903471483 592175576 /nfs/dbraw/zinc/17/55/76/592175576.db2.gz JPJBSZMDFDCPLR-MRXNPFEDSA-N 2 2 337.489 1.322 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903466648 592178505 /nfs/dbraw/zinc/17/85/05/592178505.db2.gz YCOXXDSCXTXBCM-KRWDZBQOSA-N 2 2 331.460 1.918 20 0 EDADLP Cc1cc(N2CCC(NC(=O)CNc3cccc[nH+]3)CC2)nc(C)[nH+]1 ZINC000900965421 592187090 /nfs/dbraw/zinc/18/70/90/592187090.db2.gz CLMMMLPIIVQZPC-UHFFFAOYSA-N 2 2 340.431 1.686 20 0 EDADLP C[C@@]1(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCC[NH2+]C1 ZINC000904377737 592245458 /nfs/dbraw/zinc/24/54/58/592245458.db2.gz XJWPBKABNOMEQV-HSALFYBXSA-N 2 2 329.488 1.961 20 0 EDADLP C[C@@]1(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCC[NH2+]C1 ZINC000904377737 592245462 /nfs/dbraw/zinc/24/54/62/592245462.db2.gz XJWPBKABNOMEQV-HSALFYBXSA-N 2 2 329.488 1.961 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904460937 592265916 /nfs/dbraw/zinc/26/59/16/592265916.db2.gz CBQOPFHGAUSGQK-QZTJIDSGSA-N 2 2 341.459 1.279 20 0 EDADLP CCC(=O)N1CCc2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000904551864 592285282 /nfs/dbraw/zinc/28/52/82/592285282.db2.gz JIIZNLGUGVGFQZ-HNNXBMFYSA-N 2 2 345.447 1.092 20 0 EDADLP CCC(=O)N1CCc2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000904551864 592285284 /nfs/dbraw/zinc/28/52/84/592285284.db2.gz JIIZNLGUGVGFQZ-HNNXBMFYSA-N 2 2 345.447 1.092 20 0 EDADLP Cc1cccn2cc(Cc3noc([C@]45C[NH2+]C[C@H]4CCOC5)n3)[nH+]c12 ZINC000904585990 592286999 /nfs/dbraw/zinc/28/69/99/592286999.db2.gz AKZBVKPCZTWGMK-ACJLOTCBSA-N 2 2 339.399 1.494 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1c1ccc(F)c(F)c1 ZINC000901271846 592320296 /nfs/dbraw/zinc/32/02/96/592320296.db2.gz JIUVNAKPSYKTPM-HZPDHXFCSA-N 2 2 335.398 1.922 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1c1ccc(F)c(F)c1 ZINC000901271846 592320301 /nfs/dbraw/zinc/32/03/01/592320301.db2.gz JIUVNAKPSYKTPM-HZPDHXFCSA-N 2 2 335.398 1.922 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC[C@]34CC[NH2+]C4)ccc2n1C ZINC000906764906 592321395 /nfs/dbraw/zinc/32/13/95/592321395.db2.gz KLNZEPYTLZDVKW-GOSISDBHSA-N 2 2 341.415 1.175 20 0 EDADLP Nc1nc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)nc(C2CC2)[nH+]1 ZINC000903823740 592334537 /nfs/dbraw/zinc/33/45/37/592334537.db2.gz JCXLCVRYFJBPGV-UHFFFAOYSA-N 3 2 345.495 1.233 20 0 EDADLP O=C(CN1CCC[C@]12CC[NH2+]C2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000903867690 592341963 /nfs/dbraw/zinc/34/19/63/592341963.db2.gz SESQOWMGGFGABQ-GOSISDBHSA-N 2 2 348.516 1.220 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)C2 ZINC000903842901 592342677 /nfs/dbraw/zinc/34/26/77/592342677.db2.gz XIBHRNJYAUQDNY-XQQFMLRXSA-N 2 2 330.400 1.995 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)C2 ZINC000903842901 592342683 /nfs/dbraw/zinc/34/26/83/592342683.db2.gz XIBHRNJYAUQDNY-XQQFMLRXSA-N 2 2 330.400 1.995 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@H]([NH3+])CC(F)F)cc[nH+]1 ZINC000903928488 592382019 /nfs/dbraw/zinc/38/20/19/592382019.db2.gz ZJTLIPTTZQZFAF-TUAOUCFPSA-N 3 2 346.401 1.032 20 0 EDADLP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@H]([NH3+])CC(F)F)n1 ZINC000903928488 592382023 /nfs/dbraw/zinc/38/20/23/592382023.db2.gz ZJTLIPTTZQZFAF-TUAOUCFPSA-N 2 2 346.401 1.032 20 0 EDADLP CN1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)Cc2cccnc21 ZINC000903937655 592387897 /nfs/dbraw/zinc/38/78/97/592387897.db2.gz PBGHDMPOXADYAI-HNNXBMFYSA-N 2 2 327.436 1.050 20 0 EDADLP CN1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)Cc2cccnc21 ZINC000903937655 592387903 /nfs/dbraw/zinc/38/79/03/592387903.db2.gz PBGHDMPOXADYAI-HNNXBMFYSA-N 2 2 327.436 1.050 20 0 EDADLP C[NH2+]CCOc1ccccc1-c1nc([C@H]2C[NH+]3CCN2CC3)no1 ZINC000904098948 592424991 /nfs/dbraw/zinc/42/49/91/592424991.db2.gz JIFGQSLLXGECLV-CQSZACIVSA-N 2 2 329.404 1.007 20 0 EDADLP [NH3+]CCCn1ccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000904099178 592425092 /nfs/dbraw/zinc/42/50/92/592425092.db2.gz LPQXCEYYUBUMKZ-JSGCOSHPSA-N 2 2 332.408 1.208 20 0 EDADLP [NH3+]CCCn1ccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000904099178 592425093 /nfs/dbraw/zinc/42/50/93/592425093.db2.gz LPQXCEYYUBUMKZ-JSGCOSHPSA-N 2 2 332.408 1.208 20 0 EDADLP C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C[NH+]1CCOCC1 ZINC000905133354 592430462 /nfs/dbraw/zinc/43/04/62/592430462.db2.gz KYMPBWDXIAIRCZ-QWRGUYRKSA-N 2 2 334.329 1.493 20 0 EDADLP CC(C)(C)CC[C@@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000904305651 592473010 /nfs/dbraw/zinc/47/30/10/592473010.db2.gz RURNFGTZGCEDDW-QGZVFWFLSA-N 2 2 338.540 1.770 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CN1CC1CC1 ZINC000905453810 592539833 /nfs/dbraw/zinc/53/98/33/592539833.db2.gz XLNNBVDYDXNFFB-RTBURBONSA-N 2 2 343.471 1.006 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CN1CC1CC1 ZINC000905453810 592539835 /nfs/dbraw/zinc/53/98/35/592539835.db2.gz XLNNBVDYDXNFFB-RTBURBONSA-N 2 2 343.471 1.006 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CC[C@@H](O)[C@@H](O)CC3)c2cc1C ZINC000905468108 592543781 /nfs/dbraw/zinc/54/37/81/592543781.db2.gz VQZVJSGFVNVMJM-SAKMYQHLSA-N 2 2 347.459 1.268 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)C1 ZINC000905680745 592610623 /nfs/dbraw/zinc/61/06/23/592610623.db2.gz JJLGZDRXCXVIBG-OXFYSEKESA-N 2 2 336.439 1.967 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)C1 ZINC000905680745 592610624 /nfs/dbraw/zinc/61/06/24/592610624.db2.gz JJLGZDRXCXVIBG-OXFYSEKESA-N 2 2 336.439 1.967 20 0 EDADLP Cc1nc2[nH]ccc2c(N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)[nH+]1 ZINC000905711180 592620277 /nfs/dbraw/zinc/62/02/77/592620277.db2.gz AKZHGEIBIJASFV-HIFRSBDPSA-N 2 2 328.420 1.325 20 0 EDADLP Cc1cccc2[nH+]c(Cn3cc(CN4CCC([NH3+])CC4)nn3)cn21 ZINC000905799468 592644670 /nfs/dbraw/zinc/64/46/70/592644670.db2.gz GQLAEUXNXCFHMA-UHFFFAOYSA-N 2 2 325.420 1.206 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)co2)C1 ZINC000906201175 592758034 /nfs/dbraw/zinc/75/80/34/592758034.db2.gz XCYUKGFIHAYRLP-DZKIICNBSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)co2)C1 ZINC000906201175 592758037 /nfs/dbraw/zinc/75/80/37/592758037.db2.gz XCYUKGFIHAYRLP-DZKIICNBSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)co2)C1 ZINC000906201175 592758039 /nfs/dbraw/zinc/75/80/39/592758039.db2.gz XCYUKGFIHAYRLP-DZKIICNBSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)co2)C1 ZINC000906201175 592758043 /nfs/dbraw/zinc/75/80/43/592758043.db2.gz XCYUKGFIHAYRLP-DZKIICNBSA-N 2 2 348.447 1.252 20 0 EDADLP CN(C(=O)c1ccccc1C[NH+]1CCOCC1)c1cc(C[NH3+])ccn1 ZINC000906226874 592766203 /nfs/dbraw/zinc/76/62/03/592766203.db2.gz FWGJLUFAIYFNRT-UHFFFAOYSA-N 2 2 340.427 1.649 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CCC[C@@H]3C[NH+](C)C)co2)C1 ZINC000906525628 592840948 /nfs/dbraw/zinc/84/09/48/592840948.db2.gz WZFGOELHSBPDRT-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CCC[C@@H]3C[NH+](C)C)co2)C1 ZINC000906525628 592840951 /nfs/dbraw/zinc/84/09/51/592840951.db2.gz WZFGOELHSBPDRT-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000906591723 592853366 /nfs/dbraw/zinc/85/33/66/592853366.db2.gz FQBIHEISQXQNFP-KRWDZBQOSA-N 2 2 333.480 1.186 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000906591723 592853370 /nfs/dbraw/zinc/85/33/70/592853370.db2.gz FQBIHEISQXQNFP-KRWDZBQOSA-N 2 2 333.480 1.186 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906569876 592855581 /nfs/dbraw/zinc/85/55/81/592855581.db2.gz XCGOLFFVWGAPIQ-UHFFFAOYSA-N 2 2 348.491 1.234 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000910876949 592899426 /nfs/dbraw/zinc/89/94/26/592899426.db2.gz BWJWYYYKLKIPGI-HZPDHXFCSA-N 2 2 334.464 1.455 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000910876949 592899427 /nfs/dbraw/zinc/89/94/27/592899427.db2.gz BWJWYYYKLKIPGI-HZPDHXFCSA-N 2 2 334.464 1.455 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000910876949 592899428 /nfs/dbraw/zinc/89/94/28/592899428.db2.gz BWJWYYYKLKIPGI-HZPDHXFCSA-N 2 2 334.464 1.455 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000910876949 592899429 /nfs/dbraw/zinc/89/94/29/592899429.db2.gz BWJWYYYKLKIPGI-HZPDHXFCSA-N 2 2 334.464 1.455 20 0 EDADLP [NH3+][C@@H](CC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)C(F)F ZINC000911744286 592995132 /nfs/dbraw/zinc/99/51/32/592995132.db2.gz GZYCNUXAHHNVBU-OLZOCXBDSA-N 2 2 341.358 1.516 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000911921142 593033390 /nfs/dbraw/zinc/03/33/90/593033390.db2.gz PQLJCVCPMMYCCL-UHFFFAOYSA-N 2 2 348.491 1.378 20 0 EDADLP COc1c(Br)cc(Cl)cc1NC(=O)C[NH2+]CC[NH3+] ZINC000912189993 593073455 /nfs/dbraw/zinc/07/34/55/593073455.db2.gz YVAPLTMSDXMUFW-UHFFFAOYSA-N 2 2 336.617 1.598 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000912304176 593085263 /nfs/dbraw/zinc/08/52/63/593085263.db2.gz KWKATJCDDMJOQW-GOSISDBHSA-N 2 2 332.448 1.145 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000912304176 593085264 /nfs/dbraw/zinc/08/52/64/593085264.db2.gz KWKATJCDDMJOQW-GOSISDBHSA-N 2 2 332.448 1.145 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@]3(C)C[NH+]4CCC3CC4)co2)C1 ZINC000912374706 593091151 /nfs/dbraw/zinc/09/11/51/593091151.db2.gz QNQBKRLGZRDJSF-KBXCAEBGSA-N 2 2 348.447 1.109 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@]3(C)C[NH+]4CCC3CC4)co2)C1 ZINC000912374706 593091152 /nfs/dbraw/zinc/09/11/52/593091152.db2.gz QNQBKRLGZRDJSF-KBXCAEBGSA-N 2 2 348.447 1.109 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cccnc2F)([NH+]2CCCCC2)CC1 ZINC000806942102 593130302 /nfs/dbraw/zinc/13/03/02/593130302.db2.gz NJEINGNTAVISHL-UHFFFAOYSA-N 2 2 334.439 1.901 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000802736692 593274893 /nfs/dbraw/zinc/27/48/93/593274893.db2.gz OMPVSDQMNQCYRT-SCLBCKFNSA-N 2 2 345.447 1.668 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000802736692 593274895 /nfs/dbraw/zinc/27/48/95/593274895.db2.gz OMPVSDQMNQCYRT-SCLBCKFNSA-N 2 2 345.447 1.668 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C(=O)[C@]12CCCO2 ZINC000840025453 593387913 /nfs/dbraw/zinc/38/79/13/593387913.db2.gz CGYXEJFWDDQQFZ-ZMMAXQRCSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C(=O)[C@]12CCCO2 ZINC000840025453 593387916 /nfs/dbraw/zinc/38/79/16/593387916.db2.gz CGYXEJFWDDQQFZ-ZMMAXQRCSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C(=O)[C@]12CCCO2 ZINC000840025453 593387919 /nfs/dbraw/zinc/38/79/19/593387919.db2.gz CGYXEJFWDDQQFZ-ZMMAXQRCSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C(=O)[C@]12CCCO2 ZINC000840025453 593387922 /nfs/dbraw/zinc/38/79/22/593387922.db2.gz CGYXEJFWDDQQFZ-ZMMAXQRCSA-N 2 2 335.492 1.776 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000758236727 593397624 /nfs/dbraw/zinc/39/76/24/593397624.db2.gz FVFVFPSIUBNWBA-DDUZABMNSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000758236727 593397627 /nfs/dbraw/zinc/39/76/27/593397627.db2.gz FVFVFPSIUBNWBA-DDUZABMNSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000758236727 593397629 /nfs/dbraw/zinc/39/76/29/593397629.db2.gz FVFVFPSIUBNWBA-DDUZABMNSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000758236727 593397632 /nfs/dbraw/zinc/39/76/32/593397632.db2.gz FVFVFPSIUBNWBA-DDUZABMNSA-N 2 2 334.464 1.471 20 0 EDADLP CC(C)n1ncc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1N ZINC000758346088 593401172 /nfs/dbraw/zinc/40/11/72/593401172.db2.gz LMZINLHMVXEPHF-OAHLLOKOSA-N 2 2 348.495 1.287 20 0 EDADLP CC(C)n1ncc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1N ZINC000758346088 593401173 /nfs/dbraw/zinc/40/11/73/593401173.db2.gz LMZINLHMVXEPHF-OAHLLOKOSA-N 2 2 348.495 1.287 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000810523975 593409359 /nfs/dbraw/zinc/40/93/59/593409359.db2.gz KADKICKGXNTIKY-WMLDXEAASA-N 2 2 327.444 1.132 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000810523975 593409360 /nfs/dbraw/zinc/40/93/60/593409360.db2.gz KADKICKGXNTIKY-WMLDXEAASA-N 2 2 327.444 1.132 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@@H]2C1 ZINC000812339133 593498353 /nfs/dbraw/zinc/49/83/53/593498353.db2.gz AEPOVDREPQNUOM-MOPGFXCFSA-N 2 2 343.471 1.543 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@@H]2C1 ZINC000812339133 593498354 /nfs/dbraw/zinc/49/83/54/593498354.db2.gz AEPOVDREPQNUOM-MOPGFXCFSA-N 2 2 343.471 1.543 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000813368483 593529790 /nfs/dbraw/zinc/52/97/90/593529790.db2.gz KMXVNEKIAGUZEM-YJBOKZPZSA-N 2 2 341.471 1.522 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000813368483 593529791 /nfs/dbraw/zinc/52/97/91/593529791.db2.gz KMXVNEKIAGUZEM-YJBOKZPZSA-N 2 2 341.471 1.522 20 0 EDADLP OCC1([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)CCOCC1 ZINC000816657103 593537704 /nfs/dbraw/zinc/53/77/04/593537704.db2.gz KHAVNRFCVNEKMJ-SFHVURJKSA-N 2 2 342.443 1.925 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931349 593649864 /nfs/dbraw/zinc/64/98/64/593649864.db2.gz QWLGFGOVANBRSZ-CQDKDKBSSA-N 2 2 343.265 1.839 20 0 EDADLP CON(C)C(=O)CC[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000818955080 593730240 /nfs/dbraw/zinc/73/02/40/593730240.db2.gz HTZHUNSOFJXGLD-UHFFFAOYSA-N 2 2 348.491 1.507 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000818987400 593732623 /nfs/dbraw/zinc/73/26/23/593732623.db2.gz XFVKXELESHNQBD-LMMKCTJWSA-N 2 2 348.443 1.082 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000818987400 593732624 /nfs/dbraw/zinc/73/26/24/593732624.db2.gz XFVKXELESHNQBD-LMMKCTJWSA-N 2 2 348.443 1.082 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[S@](=O)C(C)(C)C ZINC000819057127 593736307 /nfs/dbraw/zinc/73/63/07/593736307.db2.gz RRJHHMVVVWJYNL-ZHRRBRCNSA-N 2 2 326.506 1.616 20 0 EDADLP C[NH+]1CCN(c2ccc(NCc3ccc(-c4nn[nH]n4)o3)[nH+]c2)CC1 ZINC000821628741 593888132 /nfs/dbraw/zinc/88/81/32/593888132.db2.gz PCRACZYJGGPLAY-UHFFFAOYSA-N 2 2 340.391 1.219 20 0 EDADLP COC1CC[NH+](CCNc2[nH+]c(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000821679998 593909781 /nfs/dbraw/zinc/90/97/81/593909781.db2.gz VSHLTNFGIVFLKB-UHFFFAOYSA-N 2 2 331.424 1.401 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821690936 593916330 /nfs/dbraw/zinc/91/63/30/593916330.db2.gz BUZBFILXITZFCI-UHFFFAOYSA-N 2 2 334.399 1.206 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1C ZINC000824272641 593973757 /nfs/dbraw/zinc/97/37/57/593973757.db2.gz XKBNWXQYXUIMSQ-GOEBONIOSA-N 2 2 332.448 1.943 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1C ZINC000824272641 593973759 /nfs/dbraw/zinc/97/37/59/593973759.db2.gz XKBNWXQYXUIMSQ-GOEBONIOSA-N 2 2 332.448 1.943 20 0 EDADLP CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000824561239 594038667 /nfs/dbraw/zinc/03/86/67/594038667.db2.gz UCSGUCYXUFCBCU-AWEZNQCLSA-N 2 2 329.404 1.978 20 0 EDADLP CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000824561239 594038669 /nfs/dbraw/zinc/03/86/69/594038669.db2.gz UCSGUCYXUFCBCU-AWEZNQCLSA-N 2 2 329.404 1.978 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585031 594042867 /nfs/dbraw/zinc/04/28/67/594042867.db2.gz MAJYQHREASSXKR-ZDUSSCGKSA-N 2 2 330.436 1.364 20 0 EDADLP COC(=O)CC[C@H]([NH3+])c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000822832255 594108525 /nfs/dbraw/zinc/10/85/25/594108525.db2.gz UMGDXYQKWAWEGX-JTQLQIEISA-N 2 2 328.332 1.270 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824976112 594108877 /nfs/dbraw/zinc/10/88/77/594108877.db2.gz MZDJUZKTBWSISH-MLGOLLRUSA-N 2 2 328.420 1.318 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824976112 594108878 /nfs/dbraw/zinc/10/88/78/594108878.db2.gz MZDJUZKTBWSISH-MLGOLLRUSA-N 2 2 328.420 1.318 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(c2[nH+]c(C)ccc2-c2nn[nH]n2)C1 ZINC000825412902 594181665 /nfs/dbraw/zinc/18/16/65/594181665.db2.gz WIDQEKXVTNRKPE-CQSZACIVSA-N 2 2 345.451 1.507 20 0 EDADLP C[N@@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000825816019 594253720 /nfs/dbraw/zinc/25/37/20/594253720.db2.gz LASVPMGOXHXVSW-CQSZACIVSA-N 2 2 349.479 1.470 20 0 EDADLP C[N@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000825816019 594253722 /nfs/dbraw/zinc/25/37/22/594253722.db2.gz LASVPMGOXHXVSW-CQSZACIVSA-N 2 2 349.479 1.470 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000827963415 594311504 /nfs/dbraw/zinc/31/15/04/594311504.db2.gz KRUNZEVZHILFFE-NEPJUHHUSA-N 2 2 342.875 1.601 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000827963415 594311505 /nfs/dbraw/zinc/31/15/05/594311505.db2.gz KRUNZEVZHILFFE-NEPJUHHUSA-N 2 2 342.875 1.601 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)c1C ZINC000827976815 594313609 /nfs/dbraw/zinc/31/36/09/594313609.db2.gz UPDKOCHJQCTLMO-LBPRGKRZSA-N 2 2 329.404 1.437 20 0 EDADLP O=C(NCCNc1ccc2ccccc2[nH+]1)c1[nH]nc2c1C[NH2+]CC2 ZINC000830013816 594315455 /nfs/dbraw/zinc/31/54/55/594315455.db2.gz OTFPOYNFKOVACY-UHFFFAOYSA-N 2 2 336.399 1.446 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)c1 ZINC000826221282 594383896 /nfs/dbraw/zinc/38/38/96/594383896.db2.gz YDVKCBCEZFDWGY-UHFFFAOYSA-N 2 2 341.375 1.186 20 0 EDADLP CS[C@@H]1CN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000826227495 594387365 /nfs/dbraw/zinc/38/73/65/594387365.db2.gz RQIWQFNWSRTCLP-VXGBXAGGSA-N 2 2 333.465 1.360 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000830554437 594421409 /nfs/dbraw/zinc/42/14/09/594421409.db2.gz RBIIIGGJOAXSTK-MRXNPFEDSA-N 2 2 346.475 1.216 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000830554437 594421412 /nfs/dbraw/zinc/42/14/12/594421412.db2.gz RBIIIGGJOAXSTK-MRXNPFEDSA-N 2 2 346.475 1.216 20 0 EDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000826513519 594512197 /nfs/dbraw/zinc/51/21/97/594512197.db2.gz NNZONTVPFOEOIT-KRWDZBQOSA-N 2 2 342.447 1.600 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000831486410 594641273 /nfs/dbraw/zinc/64/12/73/594641273.db2.gz ROOFSTFDHCHSGV-SQWLQELKSA-N 2 2 327.350 1.528 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000831486410 594641275 /nfs/dbraw/zinc/64/12/75/594641275.db2.gz ROOFSTFDHCHSGV-SQWLQELKSA-N 2 2 327.350 1.528 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)CC[C@@H]21 ZINC000827234818 594655323 /nfs/dbraw/zinc/65/53/23/594655323.db2.gz YUOBCAVBYPNTBK-AGIUHOORSA-N 2 2 330.354 1.929 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)CC[C@@H]21 ZINC000827234818 594655324 /nfs/dbraw/zinc/65/53/24/594655324.db2.gz YUOBCAVBYPNTBK-AGIUHOORSA-N 2 2 330.354 1.929 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3CC4(CC4(F)F)C3)C2)CC1 ZINC000827413844 594669620 /nfs/dbraw/zinc/66/96/20/594669620.db2.gz MTCJXURTCBEHSR-UYJPIKCFSA-N 2 2 327.419 1.707 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3CC4(CC4(F)F)C3)C2)CC1 ZINC000827413844 594669621 /nfs/dbraw/zinc/66/96/21/594669621.db2.gz MTCJXURTCBEHSR-UYJPIKCFSA-N 2 2 327.419 1.707 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000831616741 594687730 /nfs/dbraw/zinc/68/77/30/594687730.db2.gz MNFWOFUYHZVKCZ-UHFFFAOYSA-N 2 2 325.416 1.873 20 0 EDADLP CCCOC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000841040899 594843248 /nfs/dbraw/zinc/84/32/48/594843248.db2.gz BZBWKEOZRXZGBX-OAHLLOKOSA-N 2 2 334.420 1.360 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C1CCCCC1 ZINC000841691062 594938416 /nfs/dbraw/zinc/93/84/16/594938416.db2.gz OJHBPUFUXDDMKE-INIZCTEOSA-N 2 2 342.447 1.974 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000836235790 594941047 /nfs/dbraw/zinc/94/10/47/594941047.db2.gz SMVSATYIAXAUJI-MRXNPFEDSA-N 2 2 343.431 1.768 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH2+]C(C)(C)C2)cn1 ZINC000841721929 594943644 /nfs/dbraw/zinc/94/36/44/594943644.db2.gz LJKJMFAOCJJKAP-UHFFFAOYSA-N 2 2 328.420 1.469 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000841727702 594944706 /nfs/dbraw/zinc/94/47/06/594944706.db2.gz WLHLYVPIZPMTAM-STQMWFEESA-N 2 2 328.420 1.468 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)[C@H](C)[NH3+] ZINC000841838228 594961784 /nfs/dbraw/zinc/96/17/84/594961784.db2.gz SAKDSFPHJLLEHK-UONOGXRCSA-N 2 2 333.480 1.756 20 0 EDADLP C[C@@H](NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H](C)[NH3+] ZINC000841838228 594961786 /nfs/dbraw/zinc/96/17/86/594961786.db2.gz SAKDSFPHJLLEHK-UONOGXRCSA-N 2 2 333.480 1.756 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc3nonc32)CC1 ZINC000836597647 594977936 /nfs/dbraw/zinc/97/79/36/594977936.db2.gz ZFNJCOMYAFFGPB-UHFFFAOYSA-N 2 2 332.408 1.370 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)S1 ZINC000841982441 594995244 /nfs/dbraw/zinc/99/52/44/594995244.db2.gz FGDJCZBUDQOBOY-QWHCGFSZSA-N 2 2 339.509 1.465 20 0 EDADLP CC[C@H](C)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000843310149 595070320 /nfs/dbraw/zinc/07/03/20/595070320.db2.gz IFXHFECEGHRUEZ-IMJJTQAJSA-N 2 2 336.480 1.512 20 0 EDADLP CC[C@H](C)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000843310149 595070324 /nfs/dbraw/zinc/07/03/24/595070324.db2.gz IFXHFECEGHRUEZ-IMJJTQAJSA-N 2 2 336.480 1.512 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000843348439 595083212 /nfs/dbraw/zinc/08/32/12/595083212.db2.gz NPHTUNZEGLJZHT-LSDHHAIUSA-N 2 2 332.448 1.131 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000843348439 595083215 /nfs/dbraw/zinc/08/32/15/595083215.db2.gz NPHTUNZEGLJZHT-LSDHHAIUSA-N 2 2 332.448 1.131 20 0 EDADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000843356032 595085484 /nfs/dbraw/zinc/08/54/84/595085484.db2.gz BQHNHPDHOZTQFP-HNNXBMFYSA-N 2 2 330.498 1.008 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NC(=O)NCc1cccs1 ZINC000843361785 595087899 /nfs/dbraw/zinc/08/78/99/595087899.db2.gz KEVXXSVRLGXSAV-YHWZYXNKSA-N 2 2 336.461 1.418 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NC(=O)NCc1cccs1 ZINC000843361785 595087902 /nfs/dbraw/zinc/08/79/02/595087902.db2.gz KEVXXSVRLGXSAV-YHWZYXNKSA-N 2 2 336.461 1.418 20 0 EDADLP C[C@H]1CC2(C[N@@H+]1CN1C[C@@H](c3c[nH+]cn3C)CC1=O)CCOCC2 ZINC000842637935 595153008 /nfs/dbraw/zinc/15/30/08/595153008.db2.gz HBJGZBYBUHLXJJ-GJZGRUSLSA-N 2 2 332.448 1.585 20 0 EDADLP C[C@H]1CC2(C[N@H+]1CN1C[C@@H](c3c[nH+]cn3C)CC1=O)CCOCC2 ZINC000842637935 595153009 /nfs/dbraw/zinc/15/30/09/595153009.db2.gz HBJGZBYBUHLXJJ-GJZGRUSLSA-N 2 2 332.448 1.585 20 0 EDADLP CC[NH+]1CCN(CCC(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000101665403 595200495 /nfs/dbraw/zinc/20/04/95/595200495.db2.gz UXHCXJZPTTVNPF-UHFFFAOYSA-N 2 2 334.464 1.351 20 0 EDADLP Cc1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000867304483 595204282 /nfs/dbraw/zinc/20/42/82/595204282.db2.gz DIZXMNZYKSPFCT-SNAWJCMRSA-N 2 2 344.459 1.495 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000844021830 595245937 /nfs/dbraw/zinc/24/59/37/595245937.db2.gz XTJAXERFOBWSOW-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000844021830 595245941 /nfs/dbraw/zinc/24/59/41/595245941.db2.gz XTJAXERFOBWSOW-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000843061955 595276771 /nfs/dbraw/zinc/27/67/71/595276771.db2.gz JQPGNHSOEORUFI-CJNGLKHVSA-N 2 2 330.831 1.949 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)c1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000843063245 595277869 /nfs/dbraw/zinc/27/78/69/595277869.db2.gz XVUGLQUZSBJSDR-UXHICEINSA-N 2 2 326.440 1.729 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)c1ccccc1)C[N@H+]1CCc2ccccc2C1 ZINC000843063245 595277872 /nfs/dbraw/zinc/27/78/72/595277872.db2.gz XVUGLQUZSBJSDR-UXHICEINSA-N 2 2 326.440 1.729 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CCCCC[NH3+])CC1 ZINC000844168772 595289951 /nfs/dbraw/zinc/28/99/51/595289951.db2.gz WJIAHKWRMBHYQG-UHFFFAOYSA-N 2 2 332.448 1.532 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000843124775 595293208 /nfs/dbraw/zinc/29/32/08/595293208.db2.gz GNUWHMRAMMELHL-MSOLQXFVSA-N 2 2 327.432 1.596 20 0 EDADLP O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000844177393 595293595 /nfs/dbraw/zinc/29/35/95/595293595.db2.gz ICVREPZEQQIBAP-OAHLLOKOSA-N 2 2 344.415 1.669 20 0 EDADLP CCO[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844406276 595338588 /nfs/dbraw/zinc/33/85/88/595338588.db2.gz AFDMNLRDSHBWOX-HUUCEWRRSA-N 2 2 338.452 1.745 20 0 EDADLP CCO[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844406276 595338589 /nfs/dbraw/zinc/33/85/89/595338589.db2.gz AFDMNLRDSHBWOX-HUUCEWRRSA-N 2 2 338.452 1.745 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)CC2)c1 ZINC000844450921 595345264 /nfs/dbraw/zinc/34/52/64/595345264.db2.gz JWBCDQCGWSILPL-CALCHBBNSA-N 2 2 349.425 1.836 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)CC2)c1 ZINC000844450921 595345265 /nfs/dbraw/zinc/34/52/65/595345265.db2.gz JWBCDQCGWSILPL-CALCHBBNSA-N 2 2 349.425 1.836 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(F)nc2F)CC1 ZINC000844679138 595371557 /nfs/dbraw/zinc/37/15/57/595371557.db2.gz JFHBKCDCDLFYDN-UHFFFAOYSA-N 2 2 327.379 1.507 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)CC[NH2+]C1CC1)c1[nH+]ccn1C ZINC000848407753 595374554 /nfs/dbraw/zinc/37/45/54/595374554.db2.gz TUDWSJSSIIIPHM-QGZVFWFLSA-N 2 2 328.416 1.776 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000844879567 595406968 /nfs/dbraw/zinc/40/69/68/595406968.db2.gz ZUDQEJPSIPXGJZ-UHFFFAOYSA-N 2 2 342.447 1.895 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000849133247 595485114 /nfs/dbraw/zinc/48/51/14/595485114.db2.gz JEVQXBPFHDYDEP-QGZVFWFLSA-N 2 2 326.448 1.525 20 0 EDADLP C[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000852761111 595531393 /nfs/dbraw/zinc/53/13/93/595531393.db2.gz QRSLWPCKVCJZMV-CABCVRRESA-N 2 2 329.485 1.942 20 0 EDADLP C[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000852761111 595531396 /nfs/dbraw/zinc/53/13/96/595531396.db2.gz QRSLWPCKVCJZMV-CABCVRRESA-N 2 2 329.485 1.942 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849553086 595563812 /nfs/dbraw/zinc/56/38/12/595563812.db2.gz QGMZSOKTBIKHAD-CVEARBPZSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2c[nH+]c[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849553086 595563816 /nfs/dbraw/zinc/56/38/16/595563816.db2.gz QGMZSOKTBIKHAD-CVEARBPZSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)[C@H](c2cnn(C)c2)C1 ZINC000849553086 595563817 /nfs/dbraw/zinc/56/38/17/595563817.db2.gz QGMZSOKTBIKHAD-CVEARBPZSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2c[nH]c[nH+]2)[C@H](c2cnn(C)c2)C1 ZINC000849553086 595563821 /nfs/dbraw/zinc/56/38/21/595563821.db2.gz QGMZSOKTBIKHAD-CVEARBPZSA-N 2 2 330.436 1.274 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000857987592 595678791 /nfs/dbraw/zinc/67/87/91/595678791.db2.gz WFDQZKDDRLUWFY-NVXWUHKLSA-N 2 2 326.400 1.345 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000857987592 595678792 /nfs/dbraw/zinc/67/87/92/595678792.db2.gz WFDQZKDDRLUWFY-NVXWUHKLSA-N 2 2 326.400 1.345 20 0 EDADLP Cc1c2ccccc2oc(=O)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414765 595704757 /nfs/dbraw/zinc/70/47/57/595704757.db2.gz LGSFXZRNYOLWJI-UHFFFAOYSA-N 2 2 345.443 1.715 20 0 EDADLP Cc1c2ccccc2oc(=O)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414765 595704761 /nfs/dbraw/zinc/70/47/61/595704761.db2.gz LGSFXZRNYOLWJI-UHFFFAOYSA-N 2 2 345.443 1.715 20 0 EDADLP Cc1c[nH+]cn1CC(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000860535523 595718517 /nfs/dbraw/zinc/71/85/17/595718517.db2.gz OZRXQDBYVBOLEE-HNNXBMFYSA-N 2 2 329.404 1.811 20 0 EDADLP CC(C)(C)OC(=O)NCC1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000858297198 595756025 /nfs/dbraw/zinc/75/60/25/595756025.db2.gz BALJOJIRUGVPFY-UYSNPLJNSA-N 2 2 341.496 1.726 20 0 EDADLP CC(C)(C)OC(=O)NCC1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000858297198 595756030 /nfs/dbraw/zinc/75/60/30/595756030.db2.gz BALJOJIRUGVPFY-UYSNPLJNSA-N 2 2 341.496 1.726 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)(F)c1ccccc1F ZINC000853825757 595893232 /nfs/dbraw/zinc/89/32/32/595893232.db2.gz TYOLYSFWBYDRIG-UHFFFAOYSA-N 2 2 331.382 1.917 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)(F)c1ccccc1F ZINC000853825757 595893233 /nfs/dbraw/zinc/89/32/33/595893233.db2.gz TYOLYSFWBYDRIG-UHFFFAOYSA-N 2 2 331.382 1.917 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000851868817 595954625 /nfs/dbraw/zinc/95/46/25/595954625.db2.gz VOGRCSIJRAYHFI-JTQLQIEISA-N 2 2 325.214 1.264 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000851868817 595954629 /nfs/dbraw/zinc/95/46/29/595954629.db2.gz VOGRCSIJRAYHFI-JTQLQIEISA-N 2 2 325.214 1.264 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC000861460519 595992659 /nfs/dbraw/zinc/99/26/59/595992659.db2.gz UHURCIUVFCFENE-UHFFFAOYSA-N 2 2 349.435 1.754 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC000861460519 595992660 /nfs/dbraw/zinc/99/26/60/595992660.db2.gz UHURCIUVFCFENE-UHFFFAOYSA-N 2 2 349.435 1.754 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000851997517 596001224 /nfs/dbraw/zinc/00/12/24/596001224.db2.gz JTCVSUPJQPYKJD-MRXNPFEDSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000852070464 596033081 /nfs/dbraw/zinc/03/30/81/596033081.db2.gz BSIWUXIIUVUOAE-MAUKXSAKSA-N 2 2 348.491 1.958 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000852070464 596033085 /nfs/dbraw/zinc/03/30/85/596033085.db2.gz BSIWUXIIUVUOAE-MAUKXSAKSA-N 2 2 348.491 1.958 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3COC4(CCC4)C3)C2)CC1 ZINC000852128677 596054152 /nfs/dbraw/zinc/05/41/52/596054152.db2.gz WBQVORYRIFUVRA-LSDHHAIUSA-N 2 2 336.480 1.166 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3COC4(CCC4)C3)C2)CC1 ZINC000852128677 596054156 /nfs/dbraw/zinc/05/41/56/596054156.db2.gz WBQVORYRIFUVRA-LSDHHAIUSA-N 2 2 336.480 1.166 20 0 EDADLP Cn1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c(Cl)n1 ZINC000856765446 596076109 /nfs/dbraw/zinc/07/61/09/596076109.db2.gz ZUJQJXAIJGUVKO-UHFFFAOYSA-N 2 2 347.894 1.981 20 0 EDADLP CC[NH2+]CC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000856776376 596079934 /nfs/dbraw/zinc/07/99/34/596079934.db2.gz QUNKJGZIVYFUMD-INIZCTEOSA-N 2 2 332.404 1.252 20 0 EDADLP COc1ccc2c(c1)CC[C@H]2C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000859884204 596215188 /nfs/dbraw/zinc/21/51/88/596215188.db2.gz SYWWDEPPLRFRGS-LJQANCHMSA-N 2 2 345.487 1.867 20 0 EDADLP O=C1OCCN1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000852721856 596232850 /nfs/dbraw/zinc/23/28/50/596232850.db2.gz KZJMKZDHWJGYOO-UHFFFAOYSA-N 2 2 327.388 1.684 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000866619814 596269536 /nfs/dbraw/zinc/26/95/36/596269536.db2.gz HYUGNNCNCWSVGC-UHFFFAOYSA-N 2 2 348.472 1.778 20 0 EDADLP C[C@@H](C[NH3+])n1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)nn1 ZINC000864630762 596291128 /nfs/dbraw/zinc/29/11/28/596291128.db2.gz QGEPYJJEGIAHJI-LBPRGKRZSA-N 2 2 338.456 1.287 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000868872346 596332997 /nfs/dbraw/zinc/33/29/97/596332997.db2.gz AJLGEFSSPQZJOR-KRZKXXONSA-N 2 2 343.471 1.608 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000868872346 596333001 /nfs/dbraw/zinc/33/30/01/596333001.db2.gz AJLGEFSSPQZJOR-KRZKXXONSA-N 2 2 343.471 1.608 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)CC[NH2+]CC3CC3)CC2)cc1F ZINC000870855280 596378372 /nfs/dbraw/zinc/37/83/72/596378372.db2.gz KVSYDZCXHKLHPV-UHFFFAOYSA-N 2 2 349.450 1.868 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccc(F)cc1 ZINC000870859902 596379706 /nfs/dbraw/zinc/37/97/06/596379706.db2.gz KFICFSZGVQPIBZ-FHIHXZLISA-N 2 2 328.391 1.892 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CCC34CC(C3)C[NH2+]4)c[nH+]2)CCO1 ZINC000870867566 596383367 /nfs/dbraw/zinc/38/33/67/596383367.db2.gz RBOFNAZUTBMQMV-ASFAAARLSA-N 2 2 344.459 1.455 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979141 596426579 /nfs/dbraw/zinc/42/65/79/596426579.db2.gz GUGJPAYFVBJPFM-JQHSSLGASA-N 2 2 333.476 1.685 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979141 596426582 /nfs/dbraw/zinc/42/65/82/596426582.db2.gz GUGJPAYFVBJPFM-JQHSSLGASA-N 2 2 333.476 1.685 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000870979550 596426760 /nfs/dbraw/zinc/42/67/60/596426760.db2.gz OORUEAYQYSRBHZ-QZTJIDSGSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000870979550 596426762 /nfs/dbraw/zinc/42/67/62/596426762.db2.gz OORUEAYQYSRBHZ-QZTJIDSGSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3CC[NH2+]CC3)C2)cc1 ZINC000870980217 596427883 /nfs/dbraw/zinc/42/78/83/596427883.db2.gz ZOFANPXMDAYRBH-SFHVURJKSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C3CC[NH2+]CC3)C2)cc1 ZINC000870980217 596427884 /nfs/dbraw/zinc/42/78/84/596427884.db2.gz ZOFANPXMDAYRBH-SFHVURJKSA-N 2 2 331.460 1.312 20 0 EDADLP C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CC[NH2+]CC1 ZINC000870985598 596430028 /nfs/dbraw/zinc/43/00/28/596430028.db2.gz GYRCHFXVUVPQAE-OAHLLOKOSA-N 2 2 331.460 1.637 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000867631209 596469802 /nfs/dbraw/zinc/46/98/02/596469802.db2.gz DCFNJODXQPBYHF-ZDUSSCGKSA-N 2 2 348.422 1.320 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000867631209 596469803 /nfs/dbraw/zinc/46/98/03/596469803.db2.gz DCFNJODXQPBYHF-ZDUSSCGKSA-N 2 2 348.422 1.320 20 0 EDADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000862972095 596470773 /nfs/dbraw/zinc/47/07/73/596470773.db2.gz YFWZCKQUJJCGAZ-NADMHLTPSA-N 2 2 347.459 1.087 20 0 EDADLP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000862972095 596470776 /nfs/dbraw/zinc/47/07/76/596470776.db2.gz YFWZCKQUJJCGAZ-NADMHLTPSA-N 2 2 347.459 1.087 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000867640014 596475002 /nfs/dbraw/zinc/47/50/02/596475002.db2.gz OFBVOSXMFKADDT-ZDUSSCGKSA-N 2 2 348.422 1.320 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000867640014 596475004 /nfs/dbraw/zinc/47/50/04/596475004.db2.gz OFBVOSXMFKADDT-ZDUSSCGKSA-N 2 2 348.422 1.320 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000865414963 596567936 /nfs/dbraw/zinc/56/79/36/596567936.db2.gz DZKWSSLKFKLOMO-SOLBZPMBSA-N 2 2 335.496 1.915 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000865414963 596567939 /nfs/dbraw/zinc/56/79/39/596567939.db2.gz DZKWSSLKFKLOMO-SOLBZPMBSA-N 2 2 335.496 1.915 20 0 EDADLP Cc1ccc(N2CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000863553129 596616184 /nfs/dbraw/zinc/61/61/84/596616184.db2.gz VLLRUDJPPASBNX-QZTJIDSGSA-N 2 2 331.460 1.537 20 0 EDADLP Cc1ccc(C2=NO[C@@H](C[NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)cc1C ZINC000863557410 596617858 /nfs/dbraw/zinc/61/78/58/596617858.db2.gz NNWRJCKQZXRWCD-QZTJIDSGSA-N 2 2 331.460 1.843 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[NH2+]C3CC3)C2)cc1 ZINC000867998005 596648109 /nfs/dbraw/zinc/64/81/09/596648109.db2.gz NWNBSXZJHKHVEW-SFHVURJKSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[NH2+]C3CC3)C2)cc1 ZINC000867998005 596648110 /nfs/dbraw/zinc/64/81/10/596648110.db2.gz NWNBSXZJHKHVEW-SFHVURJKSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)C2)cc1 ZINC000867998381 596648698 /nfs/dbraw/zinc/64/86/98/596648698.db2.gz VUBICAKBJPOQTG-ROUUACIJSA-N 2 2 349.475 1.064 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)C2)cc1 ZINC000867998381 596648701 /nfs/dbraw/zinc/64/87/01/596648701.db2.gz VUBICAKBJPOQTG-ROUUACIJSA-N 2 2 349.475 1.064 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000868002637 596650839 /nfs/dbraw/zinc/65/08/39/596650839.db2.gz XYIGINYMGVTJHL-QKYXPGDISA-N 2 2 335.492 1.788 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000868002637 596650840 /nfs/dbraw/zinc/65/08/40/596650840.db2.gz XYIGINYMGVTJHL-QKYXPGDISA-N 2 2 335.492 1.788 20 0 EDADLP CN(C(=O)/C=C/C[NH+]1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000865700421 596653157 /nfs/dbraw/zinc/65/31/57/596653157.db2.gz HPDHGUCSUAOXAL-SNAWJCMRSA-N 2 2 347.459 1.478 20 0 EDADLP Cc1ccc(Cn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)c(C)[nH+]1 ZINC000871675668 596667939 /nfs/dbraw/zinc/66/79/39/596667939.db2.gz OIPGTLDXCOCUMK-UHFFFAOYSA-N 2 2 338.415 1.578 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2c(I)cnn2C)n1C ZINC000865868517 596705835 /nfs/dbraw/zinc/70/58/35/596705835.db2.gz KZQUNIOTTRPOOW-UHFFFAOYSA-N 2 2 345.188 1.356 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866010469 596756973 /nfs/dbraw/zinc/75/69/73/596756973.db2.gz JOUXITNOAXELEC-ZIAGYGMSSA-N 3 2 333.455 1.888 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[NH2+]2)cc1 ZINC000870145106 596771694 /nfs/dbraw/zinc/77/16/94/596771694.db2.gz KHPPNXDBCJGGEF-MAUKXSAKSA-N 2 2 340.427 1.627 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)c1 ZINC000870157675 596779872 /nfs/dbraw/zinc/77/98/72/596779872.db2.gz KAJJQNHXXJFJQE-LJQANCHMSA-N 2 2 343.471 1.966 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)c1 ZINC000870157675 596779874 /nfs/dbraw/zinc/77/98/74/596779874.db2.gz KAJJQNHXXJFJQE-LJQANCHMSA-N 2 2 343.471 1.966 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC[N@H+](C)C(C)(C)CC3)nc[nH+]2)C1 ZINC000866112457 596792572 /nfs/dbraw/zinc/79/25/72/596792572.db2.gz BSNQUMGVPUWKOM-HUUCEWRRSA-N 2 2 333.480 1.604 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC[N@@H+](C)C(C)(C)CC3)nc[nH+]2)C1 ZINC000866112457 596792574 /nfs/dbraw/zinc/79/25/74/596792574.db2.gz BSNQUMGVPUWKOM-HUUCEWRRSA-N 2 2 333.480 1.604 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C[C@H]1C(F)(F)F ZINC000872151579 596813580 /nfs/dbraw/zinc/81/35/80/596813580.db2.gz WNFWEWGQEVVQHI-MRVWCRGKSA-N 2 2 327.350 1.861 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C[C@H]1C(F)(F)F ZINC000872151579 596813582 /nfs/dbraw/zinc/81/35/82/596813582.db2.gz WNFWEWGQEVVQHI-MRVWCRGKSA-N 2 2 327.350 1.861 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153650 596814917 /nfs/dbraw/zinc/81/49/17/596814917.db2.gz MRBHVDQSYMAOJT-ZJNRKIDTSA-N 2 2 337.414 1.553 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153650 596814919 /nfs/dbraw/zinc/81/49/19/596814919.db2.gz MRBHVDQSYMAOJT-ZJNRKIDTSA-N 2 2 337.414 1.553 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154308 596815143 /nfs/dbraw/zinc/81/51/43/596815143.db2.gz VZKANYRSCRTDAB-XMDUPGNXSA-N 2 2 331.460 1.802 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154308 596815144 /nfs/dbraw/zinc/81/51/44/596815144.db2.gz VZKANYRSCRTDAB-XMDUPGNXSA-N 2 2 331.460 1.802 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC[C@@H]21 ZINC000866204062 596825850 /nfs/dbraw/zinc/82/58/50/596825850.db2.gz APCJNIQHBDAXNJ-OAGGEKHMSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)CC[C@@H]21 ZINC000866204062 596825860 /nfs/dbraw/zinc/82/58/60/596825860.db2.gz APCJNIQHBDAXNJ-OAGGEKHMSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)CC[C@@H]21 ZINC000866204062 596825864 /nfs/dbraw/zinc/82/58/64/596825864.db2.gz APCJNIQHBDAXNJ-OAGGEKHMSA-N 2 2 331.464 1.216 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)nc[nH+]2)C1 ZINC000866208504 596827945 /nfs/dbraw/zinc/82/79/45/596827945.db2.gz MRMYXAWNYXMYEX-FZKCQIBNSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)nc[nH+]2)C1 ZINC000866208504 596827947 /nfs/dbraw/zinc/82/79/47/596827947.db2.gz MRMYXAWNYXMYEX-FZKCQIBNSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)[nH+]cn2)C1 ZINC000866208504 596827950 /nfs/dbraw/zinc/82/79/50/596827950.db2.gz MRMYXAWNYXMYEX-FZKCQIBNSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)[nH+]cn2)C1 ZINC000866208504 596827951 /nfs/dbraw/zinc/82/79/51/596827951.db2.gz MRMYXAWNYXMYEX-FZKCQIBNSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@@H]1n1cc[nH+]c1 ZINC000872193535 596829475 /nfs/dbraw/zinc/82/94/75/596829475.db2.gz ZDHVEGXYLBEHPD-CVEARBPZSA-N 2 2 349.479 1.270 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000872226567 596843984 /nfs/dbraw/zinc/84/39/84/596843984.db2.gz OFBZMPCZPXRLII-VQTJNVASSA-N 2 2 347.503 1.242 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000872226567 596843988 /nfs/dbraw/zinc/84/39/88/596843988.db2.gz OFBZMPCZPXRLII-VQTJNVASSA-N 2 2 347.503 1.242 20 0 EDADLP Cc1ccccc1CN1CCO[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000872226567 596843992 /nfs/dbraw/zinc/84/39/92/596843992.db2.gz OFBZMPCZPXRLII-VQTJNVASSA-N 2 2 347.503 1.242 20 0 EDADLP CN(CCC(=O)N1CCN(C)c2[nH+]cccc2C1)c1cc[nH+]cc1 ZINC000872307637 596875834 /nfs/dbraw/zinc/87/58/34/596875834.db2.gz DEUHOJMRMBNYBY-UHFFFAOYSA-N 2 2 325.416 1.782 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000866411275 596879344 /nfs/dbraw/zinc/87/93/44/596879344.db2.gz IAJWDZJZVJKJSV-ZBFHGGJFSA-N 2 2 349.475 1.847 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000866411275 596879348 /nfs/dbraw/zinc/87/93/48/596879348.db2.gz IAJWDZJZVJKJSV-ZBFHGGJFSA-N 2 2 349.475 1.847 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000864418942 596887762 /nfs/dbraw/zinc/88/77/62/596887762.db2.gz AKDZAFASWHZMOW-INIZCTEOSA-N 2 2 340.431 1.862 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2[nH+]ccn21 ZINC000875644509 596931317 /nfs/dbraw/zinc/93/13/17/596931317.db2.gz GFHLZBSBZMILMT-ZJIFWQFVSA-N 3 2 348.495 1.270 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC[NH+]3CCC3)C2)cc1 ZINC000876198539 597130521 /nfs/dbraw/zinc/13/05/21/597130521.db2.gz NWBLVZGSSJMEOU-GOSISDBHSA-N 2 2 346.475 1.201 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCC[NH+]3CCC3)C2)cc1 ZINC000876198539 597130524 /nfs/dbraw/zinc/13/05/24/597130524.db2.gz NWBLVZGSSJMEOU-GOSISDBHSA-N 2 2 346.475 1.201 20 0 EDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000876208598 597137514 /nfs/dbraw/zinc/13/75/14/597137514.db2.gz RJCQIDBJIPUJIJ-GOSISDBHSA-N 3 2 347.507 1.308 20 0 EDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000876208598 597137518 /nfs/dbraw/zinc/13/75/18/597137518.db2.gz RJCQIDBJIPUJIJ-GOSISDBHSA-N 3 2 347.507 1.308 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000874998453 597237572 /nfs/dbraw/zinc/23/75/72/597237572.db2.gz DNZUSGZQVCMQSD-MRXNPFEDSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000874998453 597237573 /nfs/dbraw/zinc/23/75/73/597237573.db2.gz DNZUSGZQVCMQSD-MRXNPFEDSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1cccc(CN2CCO[C@H](C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)C2)c1 ZINC000873263892 597242362 /nfs/dbraw/zinc/24/23/62/597242362.db2.gz ABEYWPRIJHCQRS-YSIASYRMSA-N 2 2 347.503 1.552 20 0 EDADLP c1nnc([C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2ccccc2)[nH]1 ZINC000873290864 597249571 /nfs/dbraw/zinc/24/95/71/597249571.db2.gz BHTMLVPYZATQGW-JKSUJKDBSA-N 2 2 327.432 1.642 20 0 EDADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000876731283 597311630 /nfs/dbraw/zinc/31/16/30/597311630.db2.gz PPPILWDDHKDBDZ-DZGCQCFKSA-N 2 2 330.436 1.379 20 0 EDADLP [NH3+]C[C@@H]1[C@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1(F)F ZINC000876738153 597315112 /nfs/dbraw/zinc/31/51/12/597315112.db2.gz ZYTNUNCEPUSCOW-BXUZGUMPSA-N 2 2 336.342 1.741 20 0 EDADLP C[NH+]1CCC(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000876784826 597339696 /nfs/dbraw/zinc/33/96/96/597339696.db2.gz LFTWSNQEIBRGBO-DVBCCOPCSA-N 3 2 348.535 1.609 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000876892584 597372561 /nfs/dbraw/zinc/37/25/61/597372561.db2.gz LBPVTHNZTOOHFI-DANNLKNASA-N 2 2 341.377 1.774 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000876892584 597372563 /nfs/dbraw/zinc/37/25/63/597372563.db2.gz LBPVTHNZTOOHFI-DANNLKNASA-N 2 2 341.377 1.774 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000875384387 597408347 /nfs/dbraw/zinc/40/83/47/597408347.db2.gz IKIZVCSCGKSEDV-OAHLLOKOSA-N 2 2 331.420 1.244 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000875384387 597408350 /nfs/dbraw/zinc/40/83/50/597408350.db2.gz IKIZVCSCGKSEDV-OAHLLOKOSA-N 2 2 331.420 1.244 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000873964288 597473147 /nfs/dbraw/zinc/47/31/47/597473147.db2.gz ASQUYURRPXYROK-UHFFFAOYSA-N 2 2 343.431 1.242 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)C2)c1 ZINC000877248304 597478816 /nfs/dbraw/zinc/47/88/16/597478816.db2.gz JSOKNPYHUWIOHU-KZNAEPCWSA-N 2 2 345.487 1.685 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)C2)c1 ZINC000877248304 597478818 /nfs/dbraw/zinc/47/88/18/597478818.db2.gz JSOKNPYHUWIOHU-KZNAEPCWSA-N 2 2 345.487 1.685 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](F)[C@H]3CC[NH2+]C3)C2)cc1 ZINC000877249910 597479436 /nfs/dbraw/zinc/47/94/36/597479436.db2.gz YOQLJAGATVGEJY-RCCFBDPRSA-N 2 2 349.450 1.260 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](F)[C@H]3CC[NH2+]C3)C2)cc1 ZINC000877249910 597479437 /nfs/dbraw/zinc/47/94/37/597479437.db2.gz YOQLJAGATVGEJY-RCCFBDPRSA-N 2 2 349.450 1.260 20 0 EDADLP NC(=O)Cc1cccc2c1CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000877678631 597546993 /nfs/dbraw/zinc/54/69/93/597546993.db2.gz NISPNKMMFAIQJI-UHFFFAOYSA-N 2 2 347.422 1.853 20 0 EDADLP NC(=O)Cc1cccc2c1CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000877678631 597546994 /nfs/dbraw/zinc/54/69/94/597546994.db2.gz NISPNKMMFAIQJI-UHFFFAOYSA-N 2 2 347.422 1.853 20 0 EDADLP CC[NH+]1CCC([N@H+](C)C[C@H](O)c2cc(Br)no2)CC1 ZINC000878164423 597583317 /nfs/dbraw/zinc/58/33/17/597583317.db2.gz HJTAJYNDKQCPNZ-NSHDSACASA-N 2 2 332.242 1.887 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)C[C@H](O)c2cc(Br)no2)CC1 ZINC000878164423 597583318 /nfs/dbraw/zinc/58/33/18/597583318.db2.gz HJTAJYNDKQCPNZ-NSHDSACASA-N 2 2 332.242 1.887 20 0 EDADLP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)CC1(O)CCCC1 ZINC000878551420 597631992 /nfs/dbraw/zinc/63/19/92/597631992.db2.gz CQDWKHHUZNMDNL-IAGOWNOFSA-N 2 2 326.481 1.229 20 0 EDADLP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)CC1(O)CCCC1 ZINC000878551420 597631996 /nfs/dbraw/zinc/63/19/96/597631996.db2.gz CQDWKHHUZNMDNL-IAGOWNOFSA-N 2 2 326.481 1.229 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)CC2(O)CCCC2)CC1 ZINC000878670813 597674388 /nfs/dbraw/zinc/67/43/88/597674388.db2.gz RHBDYGXQYZSYEF-MRXNPFEDSA-N 2 2 328.497 1.115 20 0 EDADLP CC(C)C[N@@H+](CC(=O)N=[S@@](C)(=O)N(C)C)CC1CC[NH+](C)CC1 ZINC000879703805 597695226 /nfs/dbraw/zinc/69/52/26/597695226.db2.gz XYZUSRTXFALZQZ-HSZRJFAPSA-N 2 2 346.541 1.387 20 0 EDADLP CC(C)C[N@H+](CC(=O)N=[S@@](C)(=O)N(C)C)CC1CC[NH+](C)CC1 ZINC000879703805 597695228 /nfs/dbraw/zinc/69/52/28/597695228.db2.gz XYZUSRTXFALZQZ-HSZRJFAPSA-N 2 2 346.541 1.387 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ncsc3C3CC3)C2)CC1 ZINC000878823738 597724194 /nfs/dbraw/zinc/72/41/94/597724194.db2.gz GFNUXPLKWASURR-CYBMUJFWSA-N 2 2 334.489 1.919 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ncsc3C3CC3)C2)CC1 ZINC000878823738 597724196 /nfs/dbraw/zinc/72/41/96/597724196.db2.gz GFNUXPLKWASURR-CYBMUJFWSA-N 2 2 334.489 1.919 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880147033 597856618 /nfs/dbraw/zinc/85/66/18/597856618.db2.gz QEAXRMDHJPPCKR-CVEARBPZSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880147033 597856621 /nfs/dbraw/zinc/85/66/21/597856621.db2.gz QEAXRMDHJPPCKR-CVEARBPZSA-N 2 2 346.475 1.212 20 0 EDADLP OC[C@H]1C=CC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CC=C[C@@H]2CO)c1 ZINC000880493177 597946749 /nfs/dbraw/zinc/94/67/49/597946749.db2.gz ZJAIBQNXQDLXIG-QZTJIDSGSA-N 2 2 334.847 1.805 20 0 EDADLP OC[C@H]1C=CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC=C[C@@H]2CO)c1 ZINC000880493177 597946750 /nfs/dbraw/zinc/94/67/50/597946750.db2.gz ZJAIBQNXQDLXIG-QZTJIDSGSA-N 2 2 334.847 1.805 20 0 EDADLP O=C(CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)N1CCOCC1 ZINC000880571436 597967567 /nfs/dbraw/zinc/96/75/67/597967567.db2.gz PGJVIELRRIHFLG-QGZVFWFLSA-N 2 2 328.416 1.463 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)C[NH+](C)C)C2)O1 ZINC000882587587 597999053 /nfs/dbraw/zinc/99/90/53/597999053.db2.gz HCWCBFDLOOEULT-LPHOPBHVSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)C[NH+](C)C)C2)O1 ZINC000882587587 597999055 /nfs/dbraw/zinc/99/90/55/597999055.db2.gz HCWCBFDLOOEULT-LPHOPBHVSA-N 2 2 331.460 1.440 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCOC)[C@@H](C)C1 ZINC000884326996 598068385 /nfs/dbraw/zinc/06/83/85/598068385.db2.gz GPTRHGAASCRZLI-DOTOQJQBSA-N 2 2 349.475 1.482 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000914153382 695162061 /nfs/dbraw/zinc/16/20/61/695162061.db2.gz ZLBLXJHOUIINHB-MRXNPFEDSA-N 2 2 347.463 1.436 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000914277127 695325273 /nfs/dbraw/zinc/32/52/73/695325273.db2.gz BONWNAZAPZYCGL-IAGOWNOFSA-N 2 2 340.512 1.518 20 0 EDADLP CCCc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cs1 ZINC000939856512 699995124 /nfs/dbraw/zinc/99/51/24/699995124.db2.gz NPCNMAVPAHPUMV-DZGCQCFKSA-N 2 2 347.488 1.929 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c(C)n1 ZINC000939856577 699995583 /nfs/dbraw/zinc/99/55/83/699995583.db2.gz OQNJBITWXJTHHK-DYVFJYSZSA-N 2 2 327.432 1.532 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000939857010 699996234 /nfs/dbraw/zinc/99/62/34/699996234.db2.gz RPRCNBXKSGXMST-UKRRQHHQSA-N 2 2 339.399 1.661 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cs1 ZINC000939857185 699996591 /nfs/dbraw/zinc/99/65/91/699996591.db2.gz AXYLGSTUEVDHJJ-JSGCOSHPSA-N 2 2 333.461 1.539 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCOCC3)[C@@H]2C1 ZINC000992920443 695454350 /nfs/dbraw/zinc/45/43/50/695454350.db2.gz CWXKKZGWMXQGCM-RCCFBDPRSA-N 2 2 346.475 1.526 20 0 EDADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915492441 695932380 /nfs/dbraw/zinc/93/23/80/695932380.db2.gz GYSKANYJPKEBPH-NKGKWGDASA-N 2 2 334.508 1.889 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)C1 ZINC001031252266 696009238 /nfs/dbraw/zinc/00/92/38/696009238.db2.gz CXPCVOPVBQALTB-HNNXBMFYSA-N 2 2 338.455 1.877 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)C1 ZINC001031252266 696009242 /nfs/dbraw/zinc/00/92/42/696009242.db2.gz CXPCVOPVBQALTB-HNNXBMFYSA-N 2 2 338.455 1.877 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001031260249 696066937 /nfs/dbraw/zinc/06/69/37/696066937.db2.gz NSVZHLUKQZPPCO-ACJLOTCBSA-N 2 2 331.435 1.955 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001031260249 696066939 /nfs/dbraw/zinc/06/69/39/696066939.db2.gz NSVZHLUKQZPPCO-ACJLOTCBSA-N 2 2 331.435 1.955 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCOC1CCC1 ZINC000994219000 696587612 /nfs/dbraw/zinc/58/76/12/696587612.db2.gz AIKDIGZNNYPRPA-PBHICJAKSA-N 2 2 334.464 1.501 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CC1CCOCC1 ZINC000994232412 696594942 /nfs/dbraw/zinc/59/49/42/696594942.db2.gz QBJRHRIWBYNBOK-WMLDXEAASA-N 2 2 334.464 1.358 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CC1CCOCC1 ZINC000994232412 696594943 /nfs/dbraw/zinc/59/49/43/696594943.db2.gz QBJRHRIWBYNBOK-WMLDXEAASA-N 2 2 334.464 1.358 20 0 EDADLP COc1ccnc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)c1 ZINC000994410278 696836539 /nfs/dbraw/zinc/83/65/39/696836539.db2.gz SHGNZSQVJNFVPX-MAUKXSAKSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)c1 ZINC000994410278 696836542 /nfs/dbraw/zinc/83/65/42/696836542.db2.gz SHGNZSQVJNFVPX-MAUKXSAKSA-N 2 2 346.475 1.655 20 0 EDADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031382432 697000620 /nfs/dbraw/zinc/00/06/20/697000620.db2.gz UHHNOMDIEQIHKX-KDOFPFPSSA-N 2 2 327.472 1.988 20 0 EDADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031382432 697000623 /nfs/dbraw/zinc/00/06/23/697000623.db2.gz UHHNOMDIEQIHKX-KDOFPFPSSA-N 2 2 327.472 1.988 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC001031440022 697109160 /nfs/dbraw/zinc/10/91/60/697109160.db2.gz OJZZIJCUYMBVAK-RBUKOAKNSA-N 2 2 345.487 1.265 20 0 EDADLP C[C@@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031594172 697292066 /nfs/dbraw/zinc/29/20/66/697292066.db2.gz VQKVTCLIBGKIMI-GUYCJALGSA-N 2 2 335.423 1.265 20 0 EDADLP C[C@@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031594172 697292067 /nfs/dbraw/zinc/29/20/67/697292067.db2.gz VQKVTCLIBGKIMI-GUYCJALGSA-N 2 2 335.423 1.265 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](C[C@H]4CCOC4)C3)ccn12 ZINC001031671434 697473167 /nfs/dbraw/zinc/47/31/67/697473167.db2.gz WECMSYZEMQWWFK-CQSZACIVSA-N 2 2 328.416 1.341 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921434948 697611009 /nfs/dbraw/zinc/61/10/09/697611009.db2.gz RNCIQICONSTIKP-BXUZGUMPSA-N 2 2 337.493 1.487 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921434948 697611010 /nfs/dbraw/zinc/61/10/10/697611010.db2.gz RNCIQICONSTIKP-BXUZGUMPSA-N 2 2 337.493 1.487 20 0 EDADLP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000940083224 700177629 /nfs/dbraw/zinc/17/76/29/700177629.db2.gz KAPNOGOHZVRUBI-UHFFFAOYSA-N 2 2 345.451 1.125 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178800 697876024 /nfs/dbraw/zinc/87/60/24/697876024.db2.gz VPRKLLVUGUIVBF-KSSFIOAISA-N 2 2 342.443 1.471 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178800 697876025 /nfs/dbraw/zinc/87/60/25/697876025.db2.gz VPRKLLVUGUIVBF-KSSFIOAISA-N 2 2 342.443 1.471 20 0 EDADLP Cc1ncccc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943178957 697876789 /nfs/dbraw/zinc/87/67/89/697876789.db2.gz VVSJQDFNJPDOLK-GUYCJALGSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943178957 697876794 /nfs/dbraw/zinc/87/67/94/697876794.db2.gz VVSJQDFNJPDOLK-GUYCJALGSA-N 2 2 327.432 1.682 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)[NH+](C)C ZINC000943569583 698518049 /nfs/dbraw/zinc/51/80/49/698518049.db2.gz GGYQFWCFGJAFKN-PBHICJAKSA-N 2 2 349.479 1.036 20 0 EDADLP COC[C@@H](C)[NH+]1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001032098342 698699466 /nfs/dbraw/zinc/69/94/66/698699466.db2.gz OIPFKVZLLYCJRC-CQSZACIVSA-N 2 2 328.416 1.569 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)o1 ZINC000943766607 698818631 /nfs/dbraw/zinc/81/86/31/698818631.db2.gz LNLPCPJSIPWNNW-SMDDNHRTSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)o1 ZINC000943766607 698818637 /nfs/dbraw/zinc/81/86/37/698818637.db2.gz LNLPCPJSIPWNNW-SMDDNHRTSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)n1 ZINC000943767011 698820169 /nfs/dbraw/zinc/82/01/69/698820169.db2.gz PTYGXGVYZPRNBT-BBRMVZONSA-N 2 2 344.463 1.292 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)n1 ZINC000943767011 698820173 /nfs/dbraw/zinc/82/01/73/698820173.db2.gz PTYGXGVYZPRNBT-BBRMVZONSA-N 2 2 344.463 1.292 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)c(C)n1 ZINC000943767767 698869240 /nfs/dbraw/zinc/86/92/40/698869240.db2.gz YOHVKEJZZATMAL-DYVFJYSZSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)c(C)n1 ZINC000943767767 698869249 /nfs/dbraw/zinc/86/92/49/698869249.db2.gz YOHVKEJZZATMAL-DYVFJYSZSA-N 2 2 341.459 1.991 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995153020 701558309 /nfs/dbraw/zinc/55/83/09/701558309.db2.gz NXETYALVJIIMRO-KGLIPLIRSA-N 2 2 330.436 1.243 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001031774209 699143634 /nfs/dbraw/zinc/14/36/34/699143634.db2.gz RVISKDHNVNKMFF-QGZVFWFLSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001031774209 699143636 /nfs/dbraw/zinc/14/36/36/699143636.db2.gz RVISKDHNVNKMFF-QGZVFWFLSA-N 2 2 337.414 1.997 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cscn2)C1 ZINC000995159839 701573440 /nfs/dbraw/zinc/57/34/40/701573440.db2.gz KJWFLGKOUZIKJQ-OLZOCXBDSA-N 2 2 333.461 1.494 20 0 EDADLP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1)C1CCC1 ZINC001031784034 699213570 /nfs/dbraw/zinc/21/35/70/699213570.db2.gz KNLARJCNRRPASA-DLBZAZTESA-N 2 2 346.475 1.309 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939213873 699363642 /nfs/dbraw/zinc/36/36/42/699363642.db2.gz GPWKHKWJOWDXGI-FZKQIMNGSA-N 2 2 340.427 1.619 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c(C)s1 ZINC000939213836 699363818 /nfs/dbraw/zinc/36/38/18/699363818.db2.gz FWPONXLBFSHDFS-BMIGLBTASA-N 2 2 333.461 1.662 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)ncn1 ZINC001031807019 699417841 /nfs/dbraw/zinc/41/78/41/699417841.db2.gz YEZMKKSVQQESKH-SFHVURJKSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)ncn1 ZINC001031807019 699417843 /nfs/dbraw/zinc/41/78/43/699417843.db2.gz YEZMKKSVQQESKH-SFHVURJKSA-N 2 2 345.491 1.453 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941600046 701592431 /nfs/dbraw/zinc/59/24/31/701592431.db2.gz SYKRVVYJCJTJRK-HNNXBMFYSA-N 2 2 345.491 1.217 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1cnsn1 ZINC000939395281 699545381 /nfs/dbraw/zinc/54/53/81/699545381.db2.gz GAKQMLVNFZUOAL-DZGCQCFKSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1 ZINC000939412439 699565836 /nfs/dbraw/zinc/56/58/36/699565836.db2.gz HCPRBQWATNQPSM-NVXWUHKLSA-N 2 2 326.444 1.940 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939533683 699671880 /nfs/dbraw/zinc/67/18/80/699671880.db2.gz DKBFBKSKOMANAC-MLGOLLRUSA-N 2 2 331.395 1.133 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)o1 ZINC000939549526 699674864 /nfs/dbraw/zinc/67/48/64/699674864.db2.gz AEKLSTYTNHUUEB-IUODEOHRSA-N 2 2 343.431 1.694 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939534443 699675488 /nfs/dbraw/zinc/67/54/88/699675488.db2.gz KEOISFODOGBLGV-SJCJKPOMSA-N 2 2 345.447 1.458 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)ccn1 ZINC000939535001 699676242 /nfs/dbraw/zinc/67/62/42/699676242.db2.gz OAINGRUERREHEW-BBRMVZONSA-N 2 2 343.431 1.003 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939539357 699680025 /nfs/dbraw/zinc/68/00/25/699680025.db2.gz CGPXZPCVFNZAST-KBPBESRZSA-N 2 2 330.436 1.021 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1ccon1 ZINC000939550770 699699980 /nfs/dbraw/zinc/69/99/80/699699980.db2.gz PTCYNOAEBNIMIM-WFASDCNBSA-N 2 2 329.404 1.386 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)n1 ZINC000939552435 699702167 /nfs/dbraw/zinc/70/21/67/699702167.db2.gz YGZTUCLLQGXKBJ-BXUZGUMPSA-N 2 2 344.419 1.089 20 0 EDADLP COc1ncccc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939621751 699758062 /nfs/dbraw/zinc/75/80/62/699758062.db2.gz CZAHGZCZSJFFNO-LRDDRELGSA-N 2 2 343.431 1.301 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)n1 ZINC000939622098 699758885 /nfs/dbraw/zinc/75/88/85/699758885.db2.gz IRMDGDJJLBGDSM-HZMBPMFUSA-N 2 2 333.461 1.662 20 0 EDADLP COc1nscc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939623959 699761602 /nfs/dbraw/zinc/76/16/02/699761602.db2.gz VMDPNOVKPKCPGE-YGRLFVJLSA-N 2 2 349.460 1.362 20 0 EDADLP Cc1cncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000995165576 701612113 /nfs/dbraw/zinc/61/21/13/701612113.db2.gz FOKYGRBZILYACZ-WBVHZDCISA-N 2 2 341.459 1.741 20 0 EDADLP CCc1nocc1C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031849927 699934259 /nfs/dbraw/zinc/93/42/59/699934259.db2.gz HDNGMNAZSUTIEB-UHFFFAOYSA-N 2 2 339.399 1.747 20 0 EDADLP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031876019 700396399 /nfs/dbraw/zinc/39/63/99/700396399.db2.gz ILXNMYIWIFUQMS-MAUKXSAKSA-N 2 2 337.508 1.581 20 0 EDADLP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031876019 700396400 /nfs/dbraw/zinc/39/64/00/700396400.db2.gz ILXNMYIWIFUQMS-MAUKXSAKSA-N 2 2 337.508 1.581 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)nc1 ZINC000940243610 700405088 /nfs/dbraw/zinc/40/50/88/700405088.db2.gz ZFZOLCUGKPRFRN-UHFFFAOYSA-N 2 2 342.447 1.543 20 0 EDADLP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000940321830 700498276 /nfs/dbraw/zinc/49/82/76/700498276.db2.gz LMQSXUVKJKRMSK-LSDHHAIUSA-N 2 2 346.475 1.837 20 0 EDADLP CC(C)CC[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001032123023 701667188 /nfs/dbraw/zinc/66/71/88/701667188.db2.gz LZEDDLQAYBLOLP-UHFFFAOYSA-N 2 2 327.432 1.975 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)nc1 ZINC000940624146 700785738 /nfs/dbraw/zinc/78/57/38/700785738.db2.gz BBLKVFQFVPJSEO-HZPDHXFCSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)nc1 ZINC000940624146 700785739 /nfs/dbraw/zinc/78/57/39/700785739.db2.gz BBLKVFQFVPJSEO-HZPDHXFCSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nc1 ZINC000940624146 700785741 /nfs/dbraw/zinc/78/57/41/700785741.db2.gz BBLKVFQFVPJSEO-HZPDHXFCSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nc1 ZINC000940624146 700785743 /nfs/dbraw/zinc/78/57/43/700785743.db2.gz BBLKVFQFVPJSEO-HZPDHXFCSA-N 2 2 345.491 1.596 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000940842420 700938693 /nfs/dbraw/zinc/93/86/93/700938693.db2.gz GIPRBMDUYIWRBN-CVEARBPZSA-N 2 2 345.491 1.678 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000940842420 700938694 /nfs/dbraw/zinc/93/86/94/700938694.db2.gz GIPRBMDUYIWRBN-CVEARBPZSA-N 2 2 345.491 1.678 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000940842420 700938696 /nfs/dbraw/zinc/93/86/96/700938696.db2.gz GIPRBMDUYIWRBN-CVEARBPZSA-N 2 2 345.491 1.678 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000940842420 700938697 /nfs/dbraw/zinc/93/86/97/700938697.db2.gz GIPRBMDUYIWRBN-CVEARBPZSA-N 2 2 345.491 1.678 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000940851593 700952247 /nfs/dbraw/zinc/95/22/47/700952247.db2.gz ZBZHKIQXCUCRFJ-HUUCEWRRSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000940851593 700952249 /nfs/dbraw/zinc/95/22/49/700952249.db2.gz ZBZHKIQXCUCRFJ-HUUCEWRRSA-N 2 2 334.464 1.045 20 0 EDADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886192 700963875 /nfs/dbraw/zinc/96/38/75/700963875.db2.gz LNJIWEINVIOXRQ-UKRRQHHQSA-N 2 2 330.432 1.545 20 0 EDADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886192 700963877 /nfs/dbraw/zinc/96/38/77/700963877.db2.gz LNJIWEINVIOXRQ-UKRRQHHQSA-N 2 2 330.432 1.545 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2conc2C)CC1(C)C ZINC000940893359 700968397 /nfs/dbraw/zinc/96/83/97/700968397.db2.gz OTDWONWWXVRXCG-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2conc2C)CC1(C)C ZINC000940893359 700968399 /nfs/dbraw/zinc/96/83/99/700968399.db2.gz OTDWONWWXVRXCG-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3nccn3C)CC2(C)C)C1 ZINC000941031535 701072928 /nfs/dbraw/zinc/07/29/28/701072928.db2.gz AOWJWSGYANQRKH-JKSUJKDBSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3nccn3C)CC2(C)C)C1 ZINC000941031535 701072930 /nfs/dbraw/zinc/07/29/30/701072930.db2.gz AOWJWSGYANQRKH-JKSUJKDBSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)CC2(C)C)C1 ZINC000941031535 701072932 /nfs/dbraw/zinc/07/29/32/701072932.db2.gz AOWJWSGYANQRKH-JKSUJKDBSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)CC2(C)C)C1 ZINC000941031535 701072933 /nfs/dbraw/zinc/07/29/33/701072933.db2.gz AOWJWSGYANQRKH-JKSUJKDBSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000941032964 701075095 /nfs/dbraw/zinc/07/50/95/701075095.db2.gz KKDKMISQKQXDTI-JKSUJKDBSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000941032964 701075098 /nfs/dbraw/zinc/07/50/98/701075098.db2.gz KKDKMISQKQXDTI-JKSUJKDBSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000941032964 701075100 /nfs/dbraw/zinc/07/51/00/701075100.db2.gz KKDKMISQKQXDTI-JKSUJKDBSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000941032964 701075102 /nfs/dbraw/zinc/07/51/02/701075102.db2.gz KKDKMISQKQXDTI-JKSUJKDBSA-N 2 2 345.491 1.678 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033919 701077313 /nfs/dbraw/zinc/07/73/13/701077313.db2.gz XVOOBRCCKRULHT-CJNGLKHVSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033919 701077316 /nfs/dbraw/zinc/07/73/16/701077316.db2.gz XVOOBRCCKRULHT-CJNGLKHVSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033919 701077319 /nfs/dbraw/zinc/07/73/19/701077319.db2.gz XVOOBRCCKRULHT-CJNGLKHVSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033919 701077322 /nfs/dbraw/zinc/07/73/22/701077322.db2.gz XVOOBRCCKRULHT-CJNGLKHVSA-N 2 2 349.479 1.579 20 0 EDADLP CC1(C)C[N@H+](C[C@H]2CCCCO2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062150 701109891 /nfs/dbraw/zinc/10/98/91/701109891.db2.gz WLUUBIQGGFOPQO-HZPDHXFCSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)C[N@@H+](C[C@H]2CCCCO2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062150 701109892 /nfs/dbraw/zinc/10/98/92/701109892.db2.gz WLUUBIQGGFOPQO-HZPDHXFCSA-N 2 2 334.464 1.738 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806142 701196259 /nfs/dbraw/zinc/19/62/59/701196259.db2.gz BAYNZMZKBKVSJC-BBRMVZONSA-N 2 2 331.420 1.460 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806142 701196261 /nfs/dbraw/zinc/19/62/61/701196261.db2.gz BAYNZMZKBKVSJC-BBRMVZONSA-N 2 2 331.420 1.460 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)CC1(C)C ZINC000941186155 701390771 /nfs/dbraw/zinc/39/07/71/701390771.db2.gz DOPZPTJPUZUUJE-NVXWUHKLSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)CC1(C)C ZINC000941186155 701390772 /nfs/dbraw/zinc/39/07/72/701390772.db2.gz DOPZPTJPUZUUJE-NVXWUHKLSA-N 2 2 348.491 1.904 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941218397 701408868 /nfs/dbraw/zinc/40/88/68/701408868.db2.gz XEYDLMAJHKGJDF-GDBMZVCRSA-N 2 2 348.491 1.905 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941218397 701408869 /nfs/dbraw/zinc/40/88/69/701408869.db2.gz XEYDLMAJHKGJDF-GDBMZVCRSA-N 2 2 348.491 1.905 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941218397 701408870 /nfs/dbraw/zinc/40/88/70/701408870.db2.gz XEYDLMAJHKGJDF-GDBMZVCRSA-N 2 2 348.491 1.905 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941218397 701408871 /nfs/dbraw/zinc/40/88/71/701408871.db2.gz XEYDLMAJHKGJDF-GDBMZVCRSA-N 2 2 348.491 1.905 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)nc1 ZINC000941220463 701410659 /nfs/dbraw/zinc/41/06/59/701410659.db2.gz DRMYQXPASADJCZ-INIZCTEOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)nc1 ZINC000941220463 701410660 /nfs/dbraw/zinc/41/06/60/701410660.db2.gz DRMYQXPASADJCZ-INIZCTEOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941221172 701411703 /nfs/dbraw/zinc/41/17/03/701411703.db2.gz MFXNGERFRVQLQV-HNNXBMFYSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941221172 701411704 /nfs/dbraw/zinc/41/17/04/701411704.db2.gz MFXNGERFRVQLQV-HNNXBMFYSA-N 2 2 334.464 1.796 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC000999170147 706599611 /nfs/dbraw/zinc/59/96/11/706599611.db2.gz ZQCPUPIIOJWCMJ-ABHNRTSZSA-N 2 2 337.508 1.866 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC000999170147 706599612 /nfs/dbraw/zinc/59/96/12/706599612.db2.gz ZQCPUPIIOJWCMJ-ABHNRTSZSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)sn1 ZINC000995148221 701536514 /nfs/dbraw/zinc/53/65/14/701536514.db2.gz BCYUVNQJDGZBMS-CHWSQXEVSA-N 2 2 333.461 1.792 20 0 EDADLP CC(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999174713 706606361 /nfs/dbraw/zinc/60/63/61/706606361.db2.gz GNZAUCUWHIBZTD-ABHNRTSZSA-N 2 2 337.508 1.722 20 0 EDADLP CC(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999174713 706606364 /nfs/dbraw/zinc/60/63/64/706606364.db2.gz GNZAUCUWHIBZTD-ABHNRTSZSA-N 2 2 337.508 1.722 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)C1 ZINC000995748350 701962892 /nfs/dbraw/zinc/96/28/92/701962892.db2.gz RYTHTYMSCXYJIW-GJZGRUSLSA-N 2 2 348.491 1.984 20 0 EDADLP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995181423 702028836 /nfs/dbraw/zinc/02/88/36/702028836.db2.gz HEGOOHBANTYUQN-HUUCEWRRSA-N 2 2 345.447 1.940 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC001032183034 702153662 /nfs/dbraw/zinc/15/36/62/702153662.db2.gz YCYVBUVHILRHMC-CQSZACIVSA-N 2 2 339.842 1.979 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)c(Cl)c3)C2)C1 ZINC001032183034 702153666 /nfs/dbraw/zinc/15/36/66/702153666.db2.gz YCYVBUVHILRHMC-CQSZACIVSA-N 2 2 339.842 1.979 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nccnc2C)C1 ZINC000995187702 702200777 /nfs/dbraw/zinc/20/07/77/702200777.db2.gz SWORXSJWTOUXGD-HUUCEWRRSA-N 2 2 342.447 1.434 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)cn1 ZINC000944101850 702215019 /nfs/dbraw/zinc/21/50/19/702215019.db2.gz XCZUIPVSTOCJEG-DYVFJYSZSA-N 2 2 342.447 1.088 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)cn1 ZINC000944101850 702215025 /nfs/dbraw/zinc/21/50/25/702215025.db2.gz XCZUIPVSTOCJEG-DYVFJYSZSA-N 2 2 342.447 1.088 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995919397 702239854 /nfs/dbraw/zinc/23/98/54/702239854.db2.gz ZMEISFLIQDIUEH-LSDHHAIUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995919397 702239859 /nfs/dbraw/zinc/23/98/59/702239859.db2.gz ZMEISFLIQDIUEH-LSDHHAIUSA-N 2 2 349.479 1.579 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1)[NH+](C)C ZINC000995929948 702260336 /nfs/dbraw/zinc/26/03/36/702260336.db2.gz XIYIROPTQZXXJS-KBPBESRZSA-N 2 2 339.509 1.451 20 0 EDADLP Cc1cccnc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097254 702262268 /nfs/dbraw/zinc/26/22/68/702262268.db2.gz FRLLRAYAIIUXSF-DOTOQJQBSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1cccnc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097254 702262273 /nfs/dbraw/zinc/26/22/73/702262273.db2.gz FRLLRAYAIIUXSF-DOTOQJQBSA-N 2 2 341.459 1.693 20 0 EDADLP C[C@@H]1C[N@H+](CCOC2CCC2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097279 702262553 /nfs/dbraw/zinc/26/25/53/702262553.db2.gz FXLJCFCOZDRJML-RHSMWYFYSA-N 2 2 334.464 1.358 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC2CCC2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097279 702262556 /nfs/dbraw/zinc/26/25/56/702262556.db2.gz FXLJCFCOZDRJML-RHSMWYFYSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+][C@@H](C)c2csnn2)C(C)(C)C1 ZINC000996044806 702438933 /nfs/dbraw/zinc/43/89/33/702438933.db2.gz VNMUJDXQSBVQEN-JSGCOSHPSA-N 2 2 348.476 1.631 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)s1 ZINC000996040420 702455695 /nfs/dbraw/zinc/45/56/95/702455695.db2.gz AEELJSUXQOLGFX-CQSZACIVSA-N 2 2 347.488 1.983 20 0 EDADLP C[C@H](CC(=O)N1C[C@H]([NH2+]Cc2nccn2C)C(C)(C)C1)n1cc[nH+]c1 ZINC000996366113 702725941 /nfs/dbraw/zinc/72/59/41/702725941.db2.gz ZRFCBZXVQKLRGW-CABCVRRESA-N 2 2 344.463 1.595 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996355812 702733312 /nfs/dbraw/zinc/73/33/12/702733312.db2.gz NUGOLSPCEAHKAU-AWEZNQCLSA-N 2 2 333.461 1.744 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000996459633 702804045 /nfs/dbraw/zinc/80/40/45/702804045.db2.gz DKGDKBQOHZQMDB-CQSZACIVSA-N 2 2 331.395 1.513 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996568779 702880648 /nfs/dbraw/zinc/88/06/48/702880648.db2.gz LSBRGRWSKNHQOA-MRXNPFEDSA-N 2 2 344.463 1.113 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000996564339 702885542 /nfs/dbraw/zinc/88/55/42/702885542.db2.gz SJTIDLOAKUPDRL-ZDUSSCGKSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996564371 702885772 /nfs/dbraw/zinc/88/57/72/702885772.db2.gz SYZJCJVWYSCFQB-MRXNPFEDSA-N 2 2 327.432 1.682 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996611289 702916359 /nfs/dbraw/zinc/91/63/59/702916359.db2.gz LVKKJULKWGLKMK-CQSZACIVSA-N 2 2 349.479 1.445 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)sn1 ZINC000995242884 702919664 /nfs/dbraw/zinc/91/96/64/702919664.db2.gz HIOGBBGXHPKCTR-KGLIPLIRSA-N 2 2 333.461 1.723 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996609380 702920413 /nfs/dbraw/zinc/92/04/13/702920413.db2.gz GHWADFOEWFCVKD-OAHLLOKOSA-N 2 2 334.464 1.659 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000995251610 702979263 /nfs/dbraw/zinc/97/92/63/702979263.db2.gz PZJRLJCGGXDAKL-DLBZAZTESA-N 2 2 342.443 1.966 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000996681317 702979813 /nfs/dbraw/zinc/97/98/13/702979813.db2.gz ZFNMNUOYBFQEAR-INIZCTEOSA-N 2 2 335.452 1.053 20 0 EDADLP COc1ncccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995254468 702995195 /nfs/dbraw/zinc/99/51/95/702995195.db2.gz VAXSNYNHFDOGAZ-GDBMZVCRSA-N 2 2 343.431 1.361 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1C ZINC000942518431 703017989 /nfs/dbraw/zinc/01/79/89/703017989.db2.gz RLBRAZMTHPPRPC-WFASDCNBSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cncs2)C[C@@H]1C ZINC000942518431 703017991 /nfs/dbraw/zinc/01/79/91/703017991.db2.gz RLBRAZMTHPPRPC-WFASDCNBSA-N 2 2 333.461 1.675 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000997018661 703268950 /nfs/dbraw/zinc/26/89/50/703268950.db2.gz ZYXJZYBHSVCHFM-IAGOWNOFSA-N 2 2 339.443 1.699 20 0 EDADLP CN(C)c1ccccc1C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997127138 703386282 /nfs/dbraw/zinc/38/62/82/703386282.db2.gz QKTMQRBIJZDUAP-UHFFFAOYSA-N 2 2 341.459 1.799 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032410772 703441467 /nfs/dbraw/zinc/44/14/67/703441467.db2.gz UKGUSSFVSYORFZ-SYAUCNOPSA-N 2 2 346.475 1.671 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032410772 703441469 /nfs/dbraw/zinc/44/14/69/703441469.db2.gz UKGUSSFVSYORFZ-SYAUCNOPSA-N 2 2 346.475 1.671 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032410772 703441471 /nfs/dbraw/zinc/44/14/71/703441471.db2.gz UKGUSSFVSYORFZ-SYAUCNOPSA-N 2 2 346.475 1.671 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032410772 703441473 /nfs/dbraw/zinc/44/14/73/703441473.db2.gz UKGUSSFVSYORFZ-SYAUCNOPSA-N 2 2 346.475 1.671 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000997179483 703463481 /nfs/dbraw/zinc/46/34/81/703463481.db2.gz BCSJBSAVUWMOOT-PBHICJAKSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000997179483 703463482 /nfs/dbraw/zinc/46/34/82/703463482.db2.gz BCSJBSAVUWMOOT-PBHICJAKSA-N 2 2 348.495 1.016 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]Cc2cccnc2)CC1)c1c[nH+]c[nH]1 ZINC000997181665 703466545 /nfs/dbraw/zinc/46/65/45/703466545.db2.gz CIPYFKHRXAMZDL-UHFFFAOYSA-N 2 2 327.432 1.863 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)c(C)o1 ZINC000997221530 703499578 /nfs/dbraw/zinc/49/95/78/703499578.db2.gz LLTDCLSMRFJQQV-UHFFFAOYSA-N 2 2 331.420 1.646 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000997223294 703500783 /nfs/dbraw/zinc/50/07/83/703500783.db2.gz ZDXHTRPTSAXIHV-HIFRSBDPSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC000997310688 703567333 /nfs/dbraw/zinc/56/73/33/703567333.db2.gz SJGHTRKQZLCHMK-UHFFFAOYSA-N 2 2 343.431 1.838 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001032437968 703606753 /nfs/dbraw/zinc/60/67/53/703606753.db2.gz YGMUVXFIQKKION-ULQDDVLXSA-N 2 2 332.448 1.443 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001032437968 703606754 /nfs/dbraw/zinc/60/67/54/703606754.db2.gz YGMUVXFIQKKION-ULQDDVLXSA-N 2 2 332.448 1.443 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032479185 703714250 /nfs/dbraw/zinc/71/42/50/703714250.db2.gz IOOCZSXTLQOBSK-DZKIICNBSA-N 2 2 334.489 1.455 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032479185 703714251 /nfs/dbraw/zinc/71/42/51/703714251.db2.gz IOOCZSXTLQOBSK-DZKIICNBSA-N 2 2 334.489 1.455 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1 ZINC001032479185 703714252 /nfs/dbraw/zinc/71/42/52/703714252.db2.gz IOOCZSXTLQOBSK-DZKIICNBSA-N 2 2 334.489 1.455 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1 ZINC001032479185 703714253 /nfs/dbraw/zinc/71/42/53/703714253.db2.gz IOOCZSXTLQOBSK-DZKIICNBSA-N 2 2 334.489 1.455 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995552899 703961837 /nfs/dbraw/zinc/96/18/37/703961837.db2.gz RXYVYYLJSIQMJC-UONOGXRCSA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995552899 703961841 /nfs/dbraw/zinc/96/18/41/703961841.db2.gz RXYVYYLJSIQMJC-UONOGXRCSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1 ZINC001032522094 703975878 /nfs/dbraw/zinc/97/58/78/703975878.db2.gz SETULRKEXQVVDP-IRXDYDNUSA-N 2 2 328.391 1.816 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1 ZINC001032522094 703975881 /nfs/dbraw/zinc/97/58/81/703975881.db2.gz SETULRKEXQVVDP-IRXDYDNUSA-N 2 2 328.391 1.816 20 0 EDADLP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2)OC ZINC001032524008 703981086 /nfs/dbraw/zinc/98/10/86/703981086.db2.gz PPHKVBSJPYTHRM-JYJNAYRXSA-N 2 2 346.475 1.472 20 0 EDADLP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2)OC ZINC001032524008 703981088 /nfs/dbraw/zinc/98/10/88/703981088.db2.gz PPHKVBSJPYTHRM-JYJNAYRXSA-N 2 2 346.475 1.472 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033082826 704140118 /nfs/dbraw/zinc/14/01/18/704140118.db2.gz SWOUXNPLQHAUQZ-MSOLQXFVSA-N 2 2 345.491 1.278 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033082826 704140121 /nfs/dbraw/zinc/14/01/21/704140121.db2.gz SWOUXNPLQHAUQZ-MSOLQXFVSA-N 2 2 345.491 1.278 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC001061481043 704277416 /nfs/dbraw/zinc/27/74/16/704277416.db2.gz VQEWWPCMKXMTLV-IAGOWNOFSA-N 2 2 345.491 1.971 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC001061481043 704277419 /nfs/dbraw/zinc/27/74/19/704277419.db2.gz VQEWWPCMKXMTLV-IAGOWNOFSA-N 2 2 345.491 1.971 20 0 EDADLP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995610052 704575984 /nfs/dbraw/zinc/57/59/84/704575984.db2.gz YCNAZEIONBAWTK-SJORKVTESA-N 2 2 346.475 1.047 20 0 EDADLP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995610052 704575986 /nfs/dbraw/zinc/57/59/86/704575986.db2.gz YCNAZEIONBAWTK-SJORKVTESA-N 2 2 346.475 1.047 20 0 EDADLP COc1cc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)on1 ZINC000997732196 704623683 /nfs/dbraw/zinc/62/36/83/704623683.db2.gz DIMOXMRPHAYZRU-UHFFFAOYSA-N 2 2 347.419 1.367 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)c1cnccn1 ZINC000997818838 704740130 /nfs/dbraw/zinc/74/01/30/704740130.db2.gz YAGWHLOPISXNFO-CQSZACIVSA-N 2 2 342.447 1.722 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)c1cnccn1 ZINC000997818838 704740132 /nfs/dbraw/zinc/74/01/32/704740132.db2.gz YAGWHLOPISXNFO-CQSZACIVSA-N 2 2 342.447 1.722 20 0 EDADLP C[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945896 704798832 /nfs/dbraw/zinc/79/88/32/704798832.db2.gz UCPOACCFUXSJQU-MAUKXSAKSA-N 2 2 345.491 1.252 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945896 704798833 /nfs/dbraw/zinc/79/88/33/704798833.db2.gz UCPOACCFUXSJQU-MAUKXSAKSA-N 2 2 345.491 1.252 20 0 EDADLP CC(C)n1ncnc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944946249 704799338 /nfs/dbraw/zinc/79/93/38/704799338.db2.gz WCVPEEROGZUJIQ-HZPDHXFCSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1ncnc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944946249 704799339 /nfs/dbraw/zinc/79/93/39/704799339.db2.gz WCVPEEROGZUJIQ-HZPDHXFCSA-N 2 2 348.495 1.281 20 0 EDADLP CCn1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944946629 704799841 /nfs/dbraw/zinc/79/98/41/704799841.db2.gz XSGYQAOXSBQWHZ-GOEBONIOSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944946629 704799843 /nfs/dbraw/zinc/79/98/43/704799843.db2.gz XSGYQAOXSBQWHZ-GOEBONIOSA-N 2 2 348.495 1.029 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnns2)C[C@@H]1C ZINC000944964303 704832033 /nfs/dbraw/zinc/83/20/33/704832033.db2.gz IEXOJMNPVQYCNU-FZMZJTMJSA-N 2 2 334.449 1.070 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cnns2)C[C@@H]1C ZINC000944964303 704832037 /nfs/dbraw/zinc/83/20/37/704832037.db2.gz IEXOJMNPVQYCNU-FZMZJTMJSA-N 2 2 334.449 1.070 20 0 EDADLP Cc1oncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032587138 705108538 /nfs/dbraw/zinc/10/85/38/705108538.db2.gz NSJODPXTIBYTFO-CSFVBSKPSA-N 2 2 332.448 1.498 20 0 EDADLP Cc1oncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001032587138 705108540 /nfs/dbraw/zinc/10/85/40/705108540.db2.gz NSJODPXTIBYTFO-CSFVBSKPSA-N 2 2 332.448 1.498 20 0 EDADLP Cc1oncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032587138 705108541 /nfs/dbraw/zinc/10/85/41/705108541.db2.gz NSJODPXTIBYTFO-CSFVBSKPSA-N 2 2 332.448 1.498 20 0 EDADLP Cc1oncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032587138 705108544 /nfs/dbraw/zinc/10/85/44/705108544.db2.gz NSJODPXTIBYTFO-CSFVBSKPSA-N 2 2 332.448 1.498 20 0 EDADLP COc1cccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000998114484 705364990 /nfs/dbraw/zinc/36/49/90/705364990.db2.gz IQASYPQQKGDHJS-UHFFFAOYSA-N 2 2 342.443 1.989 20 0 EDADLP O=C(N1CCC(C[NH2+]CC2CC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000998203088 705514617 /nfs/dbraw/zinc/51/46/17/705514617.db2.gz UZNLFPDBZZKUBK-UHFFFAOYSA-N 2 2 335.492 1.480 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC000998243742 705583264 /nfs/dbraw/zinc/58/32/64/705583264.db2.gz IBJLCIPUIQWNJE-GFCCVEGCSA-N 2 2 346.435 1.541 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032620342 705668755 /nfs/dbraw/zinc/66/87/55/705668755.db2.gz CAGLUUWTQFVBLA-JYJNAYRXSA-N 2 2 344.459 1.541 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032620342 705668758 /nfs/dbraw/zinc/66/87/58/705668758.db2.gz CAGLUUWTQFVBLA-JYJNAYRXSA-N 2 2 344.459 1.541 20 0 EDADLP Cc1nsc(C)c1C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000998296313 705698849 /nfs/dbraw/zinc/69/88/49/705698849.db2.gz DKOPRFYXUASNEF-UHFFFAOYSA-N 2 2 347.488 1.985 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)CCO1 ZINC000998297587 705700144 /nfs/dbraw/zinc/70/01/44/705700144.db2.gz MZYICBXJSZDNHD-RDJZCZTQSA-N 2 2 334.464 1.526 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032626985 705733022 /nfs/dbraw/zinc/73/30/22/705733022.db2.gz PVIHGHDNQTUOIJ-KBMXLJTQSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032626985 705733025 /nfs/dbraw/zinc/73/30/25/705733025.db2.gz PVIHGHDNQTUOIJ-KBMXLJTQSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1onc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001032626985 705733027 /nfs/dbraw/zinc/73/30/27/705733027.db2.gz PVIHGHDNQTUOIJ-KBMXLJTQSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1onc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001032626985 705733031 /nfs/dbraw/zinc/73/30/31/705733031.db2.gz PVIHGHDNQTUOIJ-KBMXLJTQSA-N 2 2 346.475 1.815 20 0 EDADLP CC(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000998324287 705747045 /nfs/dbraw/zinc/74/70/45/705747045.db2.gz OGAFYAORZIEFSI-QWHCGFSZSA-N 2 2 332.370 1.908 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]Cc2ccns2)C1 ZINC000999006446 706446655 /nfs/dbraw/zinc/44/66/55/706446655.db2.gz DDNZROVOPRNXGP-HSBZDZAISA-N 2 2 345.472 1.681 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)s1 ZINC000999033979 706448025 /nfs/dbraw/zinc/44/80/25/706448025.db2.gz AWOPOKCIGGSHNR-CYBMUJFWSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999318345 706826547 /nfs/dbraw/zinc/82/65/47/706826547.db2.gz ROPPMGIFNCXRKM-INIZCTEOSA-N 2 2 330.436 1.165 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999324251 706834836 /nfs/dbraw/zinc/83/48/36/706834836.db2.gz VLKYKOCGYQOILM-ZWKOTPCHSA-N 2 2 348.491 1.864 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999324251 706834839 /nfs/dbraw/zinc/83/48/39/706834839.db2.gz VLKYKOCGYQOILM-ZWKOTPCHSA-N 2 2 348.491 1.864 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000999373794 706868324 /nfs/dbraw/zinc/86/83/24/706868324.db2.gz RGPBJSBZFDZWQR-ZFWWWQNUSA-N 2 2 345.472 1.998 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999369855 706883971 /nfs/dbraw/zinc/88/39/71/706883971.db2.gz KOWDTJXLJHAAMY-HOCLYGCPSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)C1CC([NH2+]Cc3ccon3)C1)C2 ZINC000999409217 706919126 /nfs/dbraw/zinc/91/91/26/706919126.db2.gz POEBHEZOXUMTEZ-JEYLPNPQSA-N 2 2 343.431 1.521 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]Cc2cnns2)C1 ZINC000999426298 706933322 /nfs/dbraw/zinc/93/33/22/706933322.db2.gz QOGODBXBTXVXLZ-GVOSGWPFSA-N 2 2 346.460 1.154 20 0 EDADLP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000999470818 706979740 /nfs/dbraw/zinc/97/97/40/706979740.db2.gz WVTDBLQBAYHNFY-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC000999509906 707007569 /nfs/dbraw/zinc/00/75/69/707007569.db2.gz LEAQFTUQTVLRNR-ZIAGYGMSSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC000999509906 707007571 /nfs/dbraw/zinc/00/75/71/707007571.db2.gz LEAQFTUQTVLRNR-ZIAGYGMSSA-N 2 2 335.452 1.197 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999599263 707102085 /nfs/dbraw/zinc/10/20/85/707102085.db2.gz YCIOGOSZUWXDMS-UKRRQHHQSA-N 2 2 347.463 1.648 20 0 EDADLP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999618657 707138354 /nfs/dbraw/zinc/13/83/54/707138354.db2.gz ILWKACNJZODHLS-HNNXBMFYSA-N 2 2 336.399 1.519 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC000999623901 707146391 /nfs/dbraw/zinc/14/63/91/707146391.db2.gz ZWVIWCURHSAJLK-CQSZACIVSA-N 2 2 340.387 1.420 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999697734 707223441 /nfs/dbraw/zinc/22/34/41/707223441.db2.gz LMEVTOSLWXTUDR-UHFFFAOYSA-N 2 2 330.436 1.200 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)no1 ZINC000999702306 707233301 /nfs/dbraw/zinc/23/33/01/707233301.db2.gz ALPVPHJOXMXMQW-UHFFFAOYSA-N 2 2 347.463 1.197 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999714949 707252719 /nfs/dbraw/zinc/25/27/19/707252719.db2.gz RBRCXULQRPMDKC-CQSZACIVSA-N 2 2 344.419 1.233 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC000999715850 707253675 /nfs/dbraw/zinc/25/36/75/707253675.db2.gz XMDBBXKJKFFAKZ-AWEZNQCLSA-N 2 2 345.451 1.214 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000999724811 707265648 /nfs/dbraw/zinc/26/56/48/707265648.db2.gz JXLQBGZREOBLPC-HNNXBMFYSA-N 2 2 342.447 1.115 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999709354 707301697 /nfs/dbraw/zinc/30/16/97/707301697.db2.gz SPWFWAGMVQJPMP-CYBMUJFWSA-N 2 2 342.428 1.580 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)[nH]1 ZINC000999752083 707353341 /nfs/dbraw/zinc/35/33/41/707353341.db2.gz BMKXVQKTACCGAG-QFWMXSHPSA-N 2 2 331.424 1.027 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033297349 707412895 /nfs/dbraw/zinc/41/28/95/707412895.db2.gz LYEHSUXVNJOWOL-MSOLQXFVSA-N 2 2 335.492 1.430 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033297349 707412897 /nfs/dbraw/zinc/41/28/97/707412897.db2.gz LYEHSUXVNJOWOL-MSOLQXFVSA-N 2 2 335.492 1.430 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033297349 707412900 /nfs/dbraw/zinc/41/29/00/707412900.db2.gz LYEHSUXVNJOWOL-MSOLQXFVSA-N 2 2 335.492 1.430 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033297349 707412903 /nfs/dbraw/zinc/41/29/03/707412903.db2.gz LYEHSUXVNJOWOL-MSOLQXFVSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004847360 707443611 /nfs/dbraw/zinc/44/36/11/707443611.db2.gz MYHMFBXKXITBOK-UKRRQHHQSA-N 2 2 345.451 1.030 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946800842 707452980 /nfs/dbraw/zinc/45/29/80/707452980.db2.gz NOMGUNYGSFVAAJ-OAGGEKHMSA-N 2 2 332.448 1.159 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946800842 707452981 /nfs/dbraw/zinc/45/29/81/707452981.db2.gz NOMGUNYGSFVAAJ-OAGGEKHMSA-N 2 2 332.448 1.159 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccn3)C2)C1 ZINC001033358389 707681560 /nfs/dbraw/zinc/68/15/60/707681560.db2.gz PAYNJKDMDVDBTJ-ROUUACIJSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccn3)C2)C1 ZINC001033358389 707681563 /nfs/dbraw/zinc/68/15/63/707681563.db2.gz PAYNJKDMDVDBTJ-ROUUACIJSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccn3)C2)C1 ZINC001033358389 707681570 /nfs/dbraw/zinc/68/15/70/707681570.db2.gz PAYNJKDMDVDBTJ-ROUUACIJSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001033358389 707681573 /nfs/dbraw/zinc/68/15/73/707681573.db2.gz PAYNJKDMDVDBTJ-ROUUACIJSA-N 2 2 346.475 1.224 20 0 EDADLP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001004946440 707717646 /nfs/dbraw/zinc/71/76/46/707717646.db2.gz LVKREXSIJDWVEK-CJNGLKHVSA-N 2 2 331.420 1.808 20 0 EDADLP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)co1 ZINC001004980615 707823287 /nfs/dbraw/zinc/82/32/87/707823287.db2.gz KTYUJDNNWWWPTM-SUMWQHHRSA-N 2 2 345.447 1.818 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC001000190708 707828923 /nfs/dbraw/zinc/82/89/23/707828923.db2.gz HGUSEWQXSFKBBI-GJZGRUSLSA-N 2 2 349.479 1.615 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC001000190708 707828925 /nfs/dbraw/zinc/82/89/25/707828925.db2.gz HGUSEWQXSFKBBI-GJZGRUSLSA-N 2 2 349.479 1.615 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c3c(nn2C)CCC3)nc[nH+]1 ZINC000921701916 707835766 /nfs/dbraw/zinc/83/57/66/707835766.db2.gz VDSDHICFWNEEQF-CYBMUJFWSA-N 2 2 341.463 1.499 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)cn1 ZINC001033422702 707837059 /nfs/dbraw/zinc/83/70/59/707837059.db2.gz IKDYJQSSJMMWKT-PBHICJAKSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC001033422702 707837060 /nfs/dbraw/zinc/83/70/60/707837060.db2.gz IKDYJQSSJMMWKT-PBHICJAKSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001033422702 707837061 /nfs/dbraw/zinc/83/70/61/707837061.db2.gz IKDYJQSSJMMWKT-PBHICJAKSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001033422702 707837062 /nfs/dbraw/zinc/83/70/62/707837062.db2.gz IKDYJQSSJMMWKT-PBHICJAKSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1nccn1C ZINC001004991242 707855162 /nfs/dbraw/zinc/85/51/62/707855162.db2.gz KBLYMLMKSMFKGZ-HOCLYGCPSA-N 2 2 344.463 1.484 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005009695 707926769 /nfs/dbraw/zinc/92/67/69/707926769.db2.gz NUOXACZXMYHANX-WBVHZDCISA-N 2 2 344.463 1.484 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005009690 707926910 /nfs/dbraw/zinc/92/69/10/707926910.db2.gz NUOXACZXMYHANX-RDJZCZTQSA-N 2 2 344.463 1.484 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033472364 707960315 /nfs/dbraw/zinc/96/03/15/707960315.db2.gz HMQULXKIIVTOCL-GOSISDBHSA-N 2 2 349.519 1.964 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033472364 707960318 /nfs/dbraw/zinc/96/03/18/707960318.db2.gz HMQULXKIIVTOCL-GOSISDBHSA-N 2 2 349.519 1.964 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1F ZINC001032781540 707968811 /nfs/dbraw/zinc/96/88/11/707968811.db2.gz YWRAUGCHTSXXRY-IKGGRYGDSA-N 2 2 331.435 1.871 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC001032781540 707968813 /nfs/dbraw/zinc/96/88/13/707968813.db2.gz YWRAUGCHTSXXRY-IKGGRYGDSA-N 2 2 331.435 1.871 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)cc1F ZINC001032781540 707968815 /nfs/dbraw/zinc/96/88/15/707968815.db2.gz YWRAUGCHTSXXRY-IKGGRYGDSA-N 2 2 331.435 1.871 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)cc1F ZINC001032781540 707968817 /nfs/dbraw/zinc/96/88/17/707968817.db2.gz YWRAUGCHTSXXRY-IKGGRYGDSA-N 2 2 331.435 1.871 20 0 EDADLP CN(C)c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)ccn1 ZINC001032783694 707978929 /nfs/dbraw/zinc/97/89/29/707978929.db2.gz NGJTVKPWERRICU-IRXDYDNUSA-N 2 2 343.475 1.029 20 0 EDADLP CN(C)c1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)ccn1 ZINC001032783694 707978932 /nfs/dbraw/zinc/97/89/32/707978932.db2.gz NGJTVKPWERRICU-IRXDYDNUSA-N 2 2 343.475 1.029 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CC=C(CNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001001117277 708101425 /nfs/dbraw/zinc/10/14/25/708101425.db2.gz ZCQZQMWBCLZRCO-ZDUSSCGKSA-N 2 2 347.463 1.529 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CC=C(CNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001001117277 708101428 /nfs/dbraw/zinc/10/14/28/708101428.db2.gz ZCQZQMWBCLZRCO-ZDUSSCGKSA-N 2 2 347.463 1.529 20 0 EDADLP CC(C)[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001001757545 708281309 /nfs/dbraw/zinc/28/13/09/708281309.db2.gz UTFXHWUWBGURFI-SFHVURJKSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001001757545 708281312 /nfs/dbraw/zinc/28/13/12/708281312.db2.gz UTFXHWUWBGURFI-SFHVURJKSA-N 2 2 337.508 1.866 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033596229 708301117 /nfs/dbraw/zinc/30/11/17/708301117.db2.gz WYURWKOTPSYTJG-INIZCTEOSA-N 2 2 342.443 1.574 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033596229 708301119 /nfs/dbraw/zinc/30/11/19/708301119.db2.gz WYURWKOTPSYTJG-INIZCTEOSA-N 2 2 342.443 1.574 20 0 EDADLP CC[C@@H](C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)OC ZINC001001841390 708346221 /nfs/dbraw/zinc/34/62/21/708346221.db2.gz DMVZLQDSZHPPGA-GVDBMIGSSA-N 2 2 348.491 1.777 20 0 EDADLP O=C(NCC1CC[NH+](Cc2cnon2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001001924188 708431295 /nfs/dbraw/zinc/43/12/95/708431295.db2.gz JNQGQICVTXSDCW-IAGOWNOFSA-N 2 2 347.463 1.415 20 0 EDADLP O=C(NCC1CC[NH+](Cc2cnon2)CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001001924188 708431298 /nfs/dbraw/zinc/43/12/98/708431298.db2.gz JNQGQICVTXSDCW-IAGOWNOFSA-N 2 2 347.463 1.415 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001033666776 708452626 /nfs/dbraw/zinc/45/26/26/708452626.db2.gz ZJLBFXQVUXTODY-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001033666776 708452629 /nfs/dbraw/zinc/45/26/29/708452629.db2.gz ZJLBFXQVUXTODY-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2conc2C)C1 ZINC001033686751 708501527 /nfs/dbraw/zinc/50/15/27/708501527.db2.gz SPZREYHUTKQHSC-SJORKVTESA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2conc2C)C1 ZINC001033686751 708501529 /nfs/dbraw/zinc/50/15/29/708501529.db2.gz SPZREYHUTKQHSC-SJORKVTESA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033686751 708501531 /nfs/dbraw/zinc/50/15/31/708501531.db2.gz SPZREYHUTKQHSC-SJORKVTESA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033686751 708501532 /nfs/dbraw/zinc/50/15/32/708501532.db2.gz SPZREYHUTKQHSC-SJORKVTESA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033687044 708501943 /nfs/dbraw/zinc/50/19/43/708501943.db2.gz WRGVIHSRIHHTEX-DOTOQJQBSA-N 2 2 333.480 1.327 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033687044 708501946 /nfs/dbraw/zinc/50/19/46/708501946.db2.gz WRGVIHSRIHHTEX-DOTOQJQBSA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033687044 708501949 /nfs/dbraw/zinc/50/19/49/708501949.db2.gz WRGVIHSRIHHTEX-DOTOQJQBSA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033687044 708501952 /nfs/dbraw/zinc/50/19/52/708501952.db2.gz WRGVIHSRIHHTEX-DOTOQJQBSA-N 2 2 333.480 1.327 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC001033704456 708533231 /nfs/dbraw/zinc/53/32/31/708533231.db2.gz VOUOKZFNHQXUQP-ROUUACIJSA-N 2 2 342.443 1.019 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC001033704456 708533233 /nfs/dbraw/zinc/53/32/33/708533233.db2.gz VOUOKZFNHQXUQP-ROUUACIJSA-N 2 2 342.443 1.019 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC001033704420 708533529 /nfs/dbraw/zinc/53/35/29/708533529.db2.gz VAWDQVTZBQEJFJ-CQSZACIVSA-N 2 2 348.397 1.937 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCc2c(F)cccc2F)C1 ZINC001033704420 708533532 /nfs/dbraw/zinc/53/35/32/708533532.db2.gz VAWDQVTZBQEJFJ-CQSZACIVSA-N 2 2 348.397 1.937 20 0 EDADLP CN(C)c1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001033705366 708535161 /nfs/dbraw/zinc/53/51/61/708535161.db2.gz GCUCMFVUHXWXJK-GOSISDBHSA-N 2 2 341.459 1.682 20 0 EDADLP CN(C)c1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001033705366 708535162 /nfs/dbraw/zinc/53/51/62/708535162.db2.gz GCUCMFVUHXWXJK-GOSISDBHSA-N 2 2 341.459 1.682 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001033789965 708700833 /nfs/dbraw/zinc/70/08/33/708700833.db2.gz RUSIJMWHIBPMFT-FUHWJXTLSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001033789965 708700836 /nfs/dbraw/zinc/70/08/36/708700836.db2.gz RUSIJMWHIBPMFT-FUHWJXTLSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001033789965 708700840 /nfs/dbraw/zinc/70/08/40/708700840.db2.gz RUSIJMWHIBPMFT-FUHWJXTLSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ncccc2C)C1 ZINC001033789965 708700843 /nfs/dbraw/zinc/70/08/43/708700843.db2.gz RUSIJMWHIBPMFT-FUHWJXTLSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2c(C)nnn2CC)C1 ZINC001033775863 708701549 /nfs/dbraw/zinc/70/15/49/708701549.db2.gz ONNIJJBLCGQEKT-HOTGVXAUSA-N 2 2 348.495 1.123 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2c(C)nnn2CC)C1 ZINC001033775863 708701551 /nfs/dbraw/zinc/70/15/51/708701551.db2.gz ONNIJJBLCGQEKT-HOTGVXAUSA-N 2 2 348.495 1.123 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2c(C)nnn2CC)C1 ZINC001033775863 708701552 /nfs/dbraw/zinc/70/15/52/708701552.db2.gz ONNIJJBLCGQEKT-HOTGVXAUSA-N 2 2 348.495 1.123 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2c(C)nnn2CC)C1 ZINC001033775863 708701554 /nfs/dbraw/zinc/70/15/54/708701554.db2.gz ONNIJJBLCGQEKT-HOTGVXAUSA-N 2 2 348.495 1.123 20 0 EDADLP Cc1noc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC001005385107 708825757 /nfs/dbraw/zinc/82/57/57/708825757.db2.gz PASAMXRREHSMFD-MRXNPFEDSA-N 2 2 349.479 1.674 20 0 EDADLP Cc1noc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC001005385107 708825760 /nfs/dbraw/zinc/82/57/60/708825760.db2.gz PASAMXRREHSMFD-MRXNPFEDSA-N 2 2 349.479 1.674 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)sn1 ZINC001002478281 709027105 /nfs/dbraw/zinc/02/71/05/709027105.db2.gz ADRXZQVHOXDGDM-AWEZNQCLSA-N 2 2 338.477 1.327 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)sn1 ZINC001002478281 709027109 /nfs/dbraw/zinc/02/71/09/709027109.db2.gz ADRXZQVHOXDGDM-AWEZNQCLSA-N 2 2 338.477 1.327 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC001002521211 709073237 /nfs/dbraw/zinc/07/32/37/709073237.db2.gz AADOBBPTZBUBBW-KRWDZBQOSA-N 2 2 335.423 1.237 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC001002521211 709073239 /nfs/dbraw/zinc/07/32/39/709073239.db2.gz AADOBBPTZBUBBW-KRWDZBQOSA-N 2 2 335.423 1.237 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](CCO)C1 ZINC001034003347 709241824 /nfs/dbraw/zinc/24/18/24/709241824.db2.gz AMEPJWWWIJNATG-KRWDZBQOSA-N 2 2 328.416 1.401 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](CCO)C1 ZINC001034003347 709241826 /nfs/dbraw/zinc/24/18/26/709241826.db2.gz AMEPJWWWIJNATG-KRWDZBQOSA-N 2 2 328.416 1.401 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001034039790 709272819 /nfs/dbraw/zinc/27/28/19/709272819.db2.gz LVQNHCITBWCELO-YJBOKZPZSA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001034039790 709272821 /nfs/dbraw/zinc/27/28/21/709272821.db2.gz LVQNHCITBWCELO-YJBOKZPZSA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001034039790 709272823 /nfs/dbraw/zinc/27/28/23/709272823.db2.gz LVQNHCITBWCELO-YJBOKZPZSA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001034039790 709272824 /nfs/dbraw/zinc/27/28/24/709272824.db2.gz LVQNHCITBWCELO-YJBOKZPZSA-N 2 2 345.491 1.204 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)co1 ZINC001002811673 709417645 /nfs/dbraw/zinc/41/76/45/709417645.db2.gz QAJGGLVXVMWIHO-QAPCUYQASA-N 2 2 346.475 1.938 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)co1 ZINC001002811673 709417648 /nfs/dbraw/zinc/41/76/48/709417648.db2.gz QAJGGLVXVMWIHO-QAPCUYQASA-N 2 2 346.475 1.938 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC[NH+](CCCF)CC2)[nH]n1 ZINC001002872150 709489384 /nfs/dbraw/zinc/48/93/84/709489384.db2.gz PVTVSSIZMCHWQU-MRXNPFEDSA-N 2 2 337.443 1.730 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC[NH+](CCCF)CC2)[nH]n1 ZINC001002872150 709489385 /nfs/dbraw/zinc/48/93/85/709489385.db2.gz PVTVSSIZMCHWQU-MRXNPFEDSA-N 2 2 337.443 1.730 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C)n2)CC1 ZINC001002955283 709656476 /nfs/dbraw/zinc/65/64/76/709656476.db2.gz JGBQOWWROQDNER-QGZVFWFLSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034271141 709677775 /nfs/dbraw/zinc/67/77/75/709677775.db2.gz LSMHEBMQDPOWFY-JKSUJKDBSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034271141 709677778 /nfs/dbraw/zinc/67/77/78/709677778.db2.gz LSMHEBMQDPOWFY-JKSUJKDBSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034271141 709677780 /nfs/dbraw/zinc/67/77/80/709677780.db2.gz LSMHEBMQDPOWFY-JKSUJKDBSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034271141 709677783 /nfs/dbraw/zinc/67/77/83/709677783.db2.gz LSMHEBMQDPOWFY-JKSUJKDBSA-N 2 2 334.464 1.938 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005534418 709689278 /nfs/dbraw/zinc/68/92/78/709689278.db2.gz YSSAMNZZZFAALW-FVQBIDKESA-N 2 2 332.448 1.473 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005534418 709689282 /nfs/dbraw/zinc/68/92/82/709689282.db2.gz YSSAMNZZZFAALW-FVQBIDKESA-N 2 2 332.448 1.473 20 0 EDADLP COC(=O)[C@H](C)Oc1ccccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000922137569 709857293 /nfs/dbraw/zinc/85/72/93/709857293.db2.gz BCZLWSIODQLWQN-JSGCOSHPSA-N 2 2 329.400 1.997 20 0 EDADLP CO[C@H](C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)C1CCC1 ZINC001003069374 709921618 /nfs/dbraw/zinc/92/16/18/709921618.db2.gz FJQMCIOEMGVJER-JFIYKMOQSA-N 2 2 346.475 1.909 20 0 EDADLP CO[C@H](C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)C1CCC1 ZINC001003069374 709921620 /nfs/dbraw/zinc/92/16/20/709921620.db2.gz FJQMCIOEMGVJER-JFIYKMOQSA-N 2 2 346.475 1.909 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1C ZINC001034396748 709936362 /nfs/dbraw/zinc/93/63/62/709936362.db2.gz HQDHRJTYSCLVGW-DOTOQJQBSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1C ZINC001034396748 709936364 /nfs/dbraw/zinc/93/63/64/709936364.db2.gz HQDHRJTYSCLVGW-DOTOQJQBSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)nn1C ZINC001034396748 709936366 /nfs/dbraw/zinc/93/63/66/709936366.db2.gz HQDHRJTYSCLVGW-DOTOQJQBSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)nn1C ZINC001034396748 709936368 /nfs/dbraw/zinc/93/63/68/709936368.db2.gz HQDHRJTYSCLVGW-DOTOQJQBSA-N 2 2 347.507 1.684 20 0 EDADLP COc1nccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003168470 710081154 /nfs/dbraw/zinc/08/11/54/710081154.db2.gz RFTPHJIYERTRAP-INIZCTEOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003168470 710081156 /nfs/dbraw/zinc/08/11/56/710081156.db2.gz RFTPHJIYERTRAP-INIZCTEOSA-N 2 2 347.463 1.050 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](CCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001034469752 710100359 /nfs/dbraw/zinc/10/03/59/710100359.db2.gz XKEOHOFJVQTRPF-KRWDZBQOSA-N 2 2 342.443 1.839 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](CCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001034469752 710100360 /nfs/dbraw/zinc/10/03/60/710100360.db2.gz XKEOHOFJVQTRPF-KRWDZBQOSA-N 2 2 342.443 1.839 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCCO2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003193155 710128022 /nfs/dbraw/zinc/12/80/22/710128022.db2.gz LOXGGKOEFCUBDB-NVXWUHKLSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)s1 ZINC001034484193 710128541 /nfs/dbraw/zinc/12/85/41/710128541.db2.gz JXYWQZHXZNSHBT-AWEZNQCLSA-N 2 2 347.488 1.898 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)s1 ZINC001034484193 710128544 /nfs/dbraw/zinc/12/85/44/710128544.db2.gz JXYWQZHXZNSHBT-AWEZNQCLSA-N 2 2 347.488 1.898 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001034484783 710129788 /nfs/dbraw/zinc/12/97/88/710129788.db2.gz NXZXFWZAYSLWTP-WMZOPIPTSA-N 2 2 348.491 1.893 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001034484783 710129790 /nfs/dbraw/zinc/12/97/90/710129790.db2.gz NXZXFWZAYSLWTP-WMZOPIPTSA-N 2 2 348.491 1.893 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)no1 ZINC001034487267 710134472 /nfs/dbraw/zinc/13/44/72/710134472.db2.gz OEGAKLFSNFLYDN-OAHLLOKOSA-N 2 2 332.448 1.550 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)no1 ZINC001034487267 710134473 /nfs/dbraw/zinc/13/44/73/710134473.db2.gz OEGAKLFSNFLYDN-OAHLLOKOSA-N 2 2 332.448 1.550 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061756754 710155620 /nfs/dbraw/zinc/15/56/20/710155620.db2.gz AQXBIXXLIUYRCM-HZPDHXFCSA-N 2 2 331.464 1.602 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061756754 710155623 /nfs/dbraw/zinc/15/56/23/710155623.db2.gz AQXBIXXLIUYRCM-HZPDHXFCSA-N 2 2 331.464 1.602 20 0 EDADLP Cn1cncc1C[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003252216 710176114 /nfs/dbraw/zinc/17/61/14/710176114.db2.gz OHVIGLHYRBPLGZ-UHFFFAOYSA-N 2 2 338.415 1.462 20 0 EDADLP CCc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034529321 710181152 /nfs/dbraw/zinc/18/11/52/710181152.db2.gz GBQULNQAIAKZCH-HNNXBMFYSA-N 2 2 345.447 1.913 20 0 EDADLP CCc1cnc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034529321 710181162 /nfs/dbraw/zinc/18/11/62/710181162.db2.gz GBQULNQAIAKZCH-HNNXBMFYSA-N 2 2 345.447 1.913 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034534954 710206706 /nfs/dbraw/zinc/20/67/06/710206706.db2.gz PXAGIVJEVBRTDP-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034534954 710206711 /nfs/dbraw/zinc/20/67/11/710206711.db2.gz PXAGIVJEVBRTDP-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cccnc3)C2)C1 ZINC001034534954 710206714 /nfs/dbraw/zinc/20/67/14/710206714.db2.gz PXAGIVJEVBRTDP-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001034534954 710206716 /nfs/dbraw/zinc/20/67/16/710206716.db2.gz PXAGIVJEVBRTDP-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP CCc1nc(C[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)cs1 ZINC001003318070 710246691 /nfs/dbraw/zinc/24/66/91/710246691.db2.gz DCWGSSYTBUFBFS-UHFFFAOYSA-N 2 2 347.488 1.991 20 0 EDADLP COc1cncc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001003629339 710459033 /nfs/dbraw/zinc/45/90/33/710459033.db2.gz ZKIGRJNAWGCPDH-CQSZACIVSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001003629339 710459034 /nfs/dbraw/zinc/45/90/34/710459034.db2.gz ZKIGRJNAWGCPDH-CQSZACIVSA-N 2 2 347.463 1.050 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001003701034 710495189 /nfs/dbraw/zinc/49/51/89/710495189.db2.gz LIHSIAPOUTXVKL-UHFFFAOYSA-N 2 2 340.387 1.269 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC001034674803 710625103 /nfs/dbraw/zinc/62/51/03/710625103.db2.gz SENHAKQNEOJTHD-TUUVXOQKSA-N 2 2 349.479 1.940 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC001034674803 710625108 /nfs/dbraw/zinc/62/51/08/710625108.db2.gz SENHAKQNEOJTHD-TUUVXOQKSA-N 2 2 349.479 1.940 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001034684561 710706494 /nfs/dbraw/zinc/70/64/94/710706494.db2.gz WJOVOPHHIPXAHX-YYIAUSFCSA-N 2 2 346.475 1.499 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005620515 710727607 /nfs/dbraw/zinc/72/76/07/710727607.db2.gz FHVLHZAGUSYPDG-HZPDHXFCSA-N 2 2 346.475 1.405 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001003900317 710882092 /nfs/dbraw/zinc/88/20/92/710882092.db2.gz CVJBFAPXGXCWDN-AWEZNQCLSA-N 2 2 343.431 1.496 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1C ZINC001032971912 711035462 /nfs/dbraw/zinc/03/54/62/711035462.db2.gz AZKMJVGAHZRVLC-RBUKOAKNSA-N 2 2 345.487 1.667 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1C ZINC001032971912 711035464 /nfs/dbraw/zinc/03/54/64/711035464.db2.gz AZKMJVGAHZRVLC-RBUKOAKNSA-N 2 2 345.487 1.667 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1C ZINC001032971912 711035465 /nfs/dbraw/zinc/03/54/65/711035465.db2.gz AZKMJVGAHZRVLC-RBUKOAKNSA-N 2 2 345.487 1.667 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1C ZINC001032971912 711035467 /nfs/dbraw/zinc/03/54/67/711035467.db2.gz AZKMJVGAHZRVLC-RBUKOAKNSA-N 2 2 345.487 1.667 20 0 EDADLP CCn1c(C)nnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034764117 711038086 /nfs/dbraw/zinc/03/80/86/711038086.db2.gz OKZDFCLAIFMIKD-HDJSIYSDSA-N 2 2 345.451 1.089 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001034776394 711052583 /nfs/dbraw/zinc/05/25/83/711052583.db2.gz RMUBEIXYNBDQAR-MRVWCRGKSA-N 2 2 346.435 1.432 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034795219 711112682 /nfs/dbraw/zinc/11/26/82/711112682.db2.gz WQSFAEXLBHUHBI-JOCQHMNTSA-N 2 2 334.449 1.260 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c(C)[nH+]1 ZINC001061364427 711145045 /nfs/dbraw/zinc/14/50/45/711145045.db2.gz JJOFGWAZYRMPGH-HOTGVXAUSA-N 2 2 331.464 1.439 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c(C)c(C)[nH+]1 ZINC001061364427 711145048 /nfs/dbraw/zinc/14/50/48/711145048.db2.gz JJOFGWAZYRMPGH-HOTGVXAUSA-N 2 2 331.464 1.439 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001003977835 711150649 /nfs/dbraw/zinc/15/06/49/711150649.db2.gz YJSJRXVYLIBEFV-AWEZNQCLSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC001003977835 711150651 /nfs/dbraw/zinc/15/06/51/711150651.db2.gz YJSJRXVYLIBEFV-AWEZNQCLSA-N 2 2 336.505 1.874 20 0 EDADLP CCCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001034883174 711285435 /nfs/dbraw/zinc/28/54/35/711285435.db2.gz NPADTQBFGRNAAY-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP CCCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001034883174 711285438 /nfs/dbraw/zinc/28/54/38/711285438.db2.gz NPADTQBFGRNAAY-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001034920711 711379302 /nfs/dbraw/zinc/37/93/02/711379302.db2.gz RSCZGOZCCLABNR-OAHLLOKOSA-N 2 2 330.436 1.340 20 0 EDADLP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)c1 ZINC001034922997 711385053 /nfs/dbraw/zinc/38/50/53/711385053.db2.gz SRBRUCWPVNQVIL-OAHLLOKOSA-N 2 2 343.431 1.527 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001034956151 711425314 /nfs/dbraw/zinc/42/53/14/711425314.db2.gz PLVYXLDKUWOYOV-CQSZACIVSA-N 2 2 326.391 1.968 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001034956151 711425317 /nfs/dbraw/zinc/42/53/17/711425317.db2.gz PLVYXLDKUWOYOV-CQSZACIVSA-N 2 2 326.391 1.968 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)c1csnn1 ZINC001034957821 711430764 /nfs/dbraw/zinc/43/07/64/711430764.db2.gz KKYVFWMYCKZHJT-TZMCWYRMSA-N 2 2 337.493 1.664 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1)c1csnn1 ZINC001034957821 711430766 /nfs/dbraw/zinc/43/07/66/711430766.db2.gz KKYVFWMYCKZHJT-TZMCWYRMSA-N 2 2 337.493 1.664 20 0 EDADLP COc1ncccc1C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001004152355 711570745 /nfs/dbraw/zinc/57/07/45/711570745.db2.gz PZWBKGCMMBRFKZ-UHFFFAOYSA-N 2 2 343.431 1.376 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC001004159485 711583967 /nfs/dbraw/zinc/58/39/67/711583967.db2.gz DUXNOMYYRBWMFP-UHFFFAOYSA-N 2 2 344.463 1.750 20 0 EDADLP C[C@H](O)C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001004188597 711642967 /nfs/dbraw/zinc/64/29/67/711642967.db2.gz IOAMQQLETYXKNV-ZDUSSCGKSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@H](O)C[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001004188597 711642968 /nfs/dbraw/zinc/64/29/68/711642968.db2.gz IOAMQQLETYXKNV-ZDUSSCGKSA-N 2 2 337.489 1.068 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033126704 711890844 /nfs/dbraw/zinc/89/08/44/711890844.db2.gz OYRCAFSVLBTIEG-MSOLQXFVSA-N 2 2 347.507 1.636 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033126704 711890845 /nfs/dbraw/zinc/89/08/45/711890845.db2.gz OYRCAFSVLBTIEG-MSOLQXFVSA-N 2 2 347.507 1.636 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033126704 711890846 /nfs/dbraw/zinc/89/08/46/711890846.db2.gz OYRCAFSVLBTIEG-MSOLQXFVSA-N 2 2 347.507 1.636 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033126704 711890848 /nfs/dbraw/zinc/89/08/48/711890848.db2.gz OYRCAFSVLBTIEG-MSOLQXFVSA-N 2 2 347.507 1.636 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595729 712035753 /nfs/dbraw/zinc/03/57/53/712035753.db2.gz IGGIUPPUDKXGIW-YJBOKZPZSA-N 2 2 348.491 1.701 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595729 712035758 /nfs/dbraw/zinc/03/57/58/712035758.db2.gz IGGIUPPUDKXGIW-YJBOKZPZSA-N 2 2 348.491 1.701 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033153643 712176995 /nfs/dbraw/zinc/17/69/95/712176995.db2.gz WLEKHYYUTUAUJK-HOTGVXAUSA-N 2 2 342.447 1.227 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033153643 712176999 /nfs/dbraw/zinc/17/69/99/712176999.db2.gz WLEKHYYUTUAUJK-HOTGVXAUSA-N 2 2 342.447 1.227 20 0 EDADLP Cn1cc(Cl)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050800383 214070997 /nfs/dbraw/zinc/07/09/97/214070997.db2.gz XLLJSSDUOANNTI-UHFFFAOYSA-N 2 2 338.883 1.967 20 0 EDADLP Cc1occc1C[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000055054001 214268191 /nfs/dbraw/zinc/26/81/91/214268191.db2.gz MRMBLRYWOOYADM-KRWDZBQOSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1occc1C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000055054001 214268194 /nfs/dbraw/zinc/26/81/94/214268194.db2.gz MRMBLRYWOOYADM-KRWDZBQOSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1occc1C[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000055054001 214268198 /nfs/dbraw/zinc/26/81/98/214268198.db2.gz MRMBLRYWOOYADM-KRWDZBQOSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1occc1C[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000055054001 214268199 /nfs/dbraw/zinc/26/81/99/214268199.db2.gz MRMBLRYWOOYADM-KRWDZBQOSA-N 2 2 337.464 1.493 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000375092618 282146248 /nfs/dbraw/zinc/14/62/48/282146248.db2.gz BJLCEBSHIUAQGG-INIZCTEOSA-N 2 2 346.475 1.328 20 0 EDADLP Cc1n[nH]c(C)c1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000174995238 231362029 /nfs/dbraw/zinc/36/20/29/231362029.db2.gz HEXKYUPPHZPIOB-UHFFFAOYSA-N 2 2 347.507 1.636 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000181041202 529654974 /nfs/dbraw/zinc/65/49/74/529654974.db2.gz TWTWHZKCNPLDRU-MSOLQXFVSA-N 2 2 349.450 1.800 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000262601662 282238914 /nfs/dbraw/zinc/23/89/14/282238914.db2.gz XSKQSZFGHHBBRG-SWLSCSKDSA-N 2 2 325.840 1.437 20 0 EDADLP C[C@@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000339705992 295712547 /nfs/dbraw/zinc/71/25/47/295712547.db2.gz PUFPGPRBUSXRHY-SFHVURJKSA-N 2 2 347.503 1.730 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)N3CCCCC3)CCC[NH+]2C)cn1 ZINC000369262835 282342574 /nfs/dbraw/zinc/34/25/74/282342574.db2.gz BTVWKDDJYCWCRB-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)N3CCCCC3)CCC[NH+]2C)cn1 ZINC000369262835 282342577 /nfs/dbraw/zinc/34/25/77/282342577.db2.gz BTVWKDDJYCWCRB-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)N3CCCCC3)CCC[N@@H+]2C)cn1 ZINC000369262835 282342579 /nfs/dbraw/zinc/34/25/79/282342579.db2.gz BTVWKDDJYCWCRB-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)N3CCCCC3)CCC[N@H+]2C)cn1 ZINC000369262835 282342583 /nfs/dbraw/zinc/34/25/83/282342583.db2.gz BTVWKDDJYCWCRB-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000163671549 529993268 /nfs/dbraw/zinc/99/32/68/529993268.db2.gz CBVUTTQTGZIVFU-AWEZNQCLSA-N 2 2 339.867 1.719 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187952899 530067842 /nfs/dbraw/zinc/06/78/42/530067842.db2.gz RBRHVCBYDWCEAJ-KRWDZBQOSA-N 2 2 345.422 1.392 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000560156384 306262039 /nfs/dbraw/zinc/26/20/39/306262039.db2.gz YCNGKEFFWDIGIA-MRXNPFEDSA-N 2 2 342.447 1.811 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000560156384 306262040 /nfs/dbraw/zinc/26/20/40/306262040.db2.gz YCNGKEFFWDIGIA-MRXNPFEDSA-N 2 2 342.447 1.811 20 0 EDADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178513873 232220831 /nfs/dbraw/zinc/22/08/31/232220831.db2.gz RMUYYEZADDTHFZ-KRWDZBQOSA-N 2 2 328.416 1.449 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN([C@@H](C)c3nnnn3C3CC3)CC2)CC1 ZINC000330166636 539503622 /nfs/dbraw/zinc/50/36/22/539503622.db2.gz YEOWGFUTGOCWDU-HNNXBMFYSA-N 2 2 347.511 1.559 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(CCO)Cc2ccccc2)CC1 ZINC000179284338 232876097 /nfs/dbraw/zinc/87/60/97/232876097.db2.gz FWTYUGDDSVPCRN-UHFFFAOYSA-N 2 2 348.491 1.217 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccccc1OCC(=O)N(C)C)Cn1cc[nH+]c1 ZINC000067500318 215154572 /nfs/dbraw/zinc/15/45/72/215154572.db2.gz PGXPDYAXJJTENB-HNNXBMFYSA-N 2 2 330.432 1.776 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000339236024 539701357 /nfs/dbraw/zinc/70/13/57/539701357.db2.gz TVQINEAPPBWQGQ-QGZVFWFLSA-N 2 2 330.476 1.990 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000339236024 539701351 /nfs/dbraw/zinc/70/13/51/539701351.db2.gz TVQINEAPPBWQGQ-QGZVFWFLSA-N 2 2 330.476 1.990 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000561457959 306287724 /nfs/dbraw/zinc/28/77/24/306287724.db2.gz PIEPILBWDSQWQU-MRXNPFEDSA-N 2 2 348.472 1.646 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000561457959 306287725 /nfs/dbraw/zinc/28/77/25/306287725.db2.gz PIEPILBWDSQWQU-MRXNPFEDSA-N 2 2 348.472 1.646 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC3(CCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000343777238 539796406 /nfs/dbraw/zinc/79/64/06/539796406.db2.gz XVCYSMJHARUACF-BBWFWOEESA-N 2 2 325.497 1.017 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC3(CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000343777238 539796412 /nfs/dbraw/zinc/79/64/12/539796412.db2.gz XVCYSMJHARUACF-BBWFWOEESA-N 2 2 325.497 1.017 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000104215236 219362264 /nfs/dbraw/zinc/36/22/64/219362264.db2.gz UKHZNBMBKRJWNL-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000104215236 219362266 /nfs/dbraw/zinc/36/22/66/219362266.db2.gz UKHZNBMBKRJWNL-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104215236 219362268 /nfs/dbraw/zinc/36/22/68/219362268.db2.gz UKHZNBMBKRJWNL-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104215236 219362271 /nfs/dbraw/zinc/36/22/71/219362271.db2.gz UKHZNBMBKRJWNL-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[N@H+](C)C1 ZINC000346696763 539857961 /nfs/dbraw/zinc/85/79/61/539857961.db2.gz VEAMJKPPWBPAPK-HOCLYGCPSA-N 2 2 344.415 1.620 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)[N@@H+](C)C1 ZINC000346696763 539857963 /nfs/dbraw/zinc/85/79/63/539857963.db2.gz VEAMJKPPWBPAPK-HOCLYGCPSA-N 2 2 344.415 1.620 20 0 EDADLP Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000181110688 234088629 /nfs/dbraw/zinc/08/86/29/234088629.db2.gz WUOPCBAUTVREEO-KRWDZBQOSA-N 2 2 348.491 1.389 20 0 EDADLP Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000181110688 234088631 /nfs/dbraw/zinc/08/86/31/234088631.db2.gz WUOPCBAUTVREEO-KRWDZBQOSA-N 2 2 348.491 1.389 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000412693303 304027487 /nfs/dbraw/zinc/02/74/87/304027487.db2.gz FMLCLAYKFKLIGQ-SFHVURJKSA-N 2 2 344.503 1.357 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000412693303 304027488 /nfs/dbraw/zinc/02/74/88/304027488.db2.gz FMLCLAYKFKLIGQ-SFHVURJKSA-N 2 2 344.503 1.357 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000352922388 539928943 /nfs/dbraw/zinc/92/89/43/539928943.db2.gz REGBFPXYDWKEPZ-NGIXTJRHSA-N 2 2 325.497 1.014 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000352922388 539928948 /nfs/dbraw/zinc/92/89/48/539928948.db2.gz REGBFPXYDWKEPZ-NGIXTJRHSA-N 2 2 325.497 1.014 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000352922388 539928953 /nfs/dbraw/zinc/92/89/53/539928953.db2.gz REGBFPXYDWKEPZ-NGIXTJRHSA-N 2 2 325.497 1.014 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000352922388 539928958 /nfs/dbraw/zinc/92/89/58/539928958.db2.gz REGBFPXYDWKEPZ-NGIXTJRHSA-N 2 2 325.497 1.014 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000562809394 306310034 /nfs/dbraw/zinc/31/00/34/306310034.db2.gz SPBDXEBVSJHCHU-KRWDZBQOSA-N 3 2 339.528 1.029 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000562809394 306310035 /nfs/dbraw/zinc/31/00/35/306310035.db2.gz SPBDXEBVSJHCHU-KRWDZBQOSA-N 3 2 339.528 1.029 20 0 EDADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000563201369 306323061 /nfs/dbraw/zinc/32/30/61/306323061.db2.gz QCTIHCJGNAQQIE-ZIAGYGMSSA-N 2 2 349.479 1.795 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245874417 283053904 /nfs/dbraw/zinc/05/39/04/283053904.db2.gz MMSPBTJOHHBBBM-PMPSAXMXSA-N 2 2 337.851 1.532 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245874417 283053906 /nfs/dbraw/zinc/05/39/06/283053906.db2.gz MMSPBTJOHHBBBM-PMPSAXMXSA-N 2 2 337.851 1.532 20 0 EDADLP C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245874417 283053907 /nfs/dbraw/zinc/05/39/07/283053907.db2.gz MMSPBTJOHHBBBM-PMPSAXMXSA-N 2 2 337.851 1.532 20 0 EDADLP C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245874417 283053909 /nfs/dbraw/zinc/05/39/09/283053909.db2.gz MMSPBTJOHHBBBM-PMPSAXMXSA-N 2 2 337.851 1.532 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000182835868 540134095 /nfs/dbraw/zinc/13/40/95/540134095.db2.gz GIXGPCSVMNJRKA-UHFFFAOYSA-N 2 2 345.447 1.956 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C(C)(C)C)nn1 ZINC000191703122 540175813 /nfs/dbraw/zinc/17/58/13/540175813.db2.gz JZMJFJYQFQOKIU-UHFFFAOYSA-N 2 2 336.484 1.131 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C(C)(C)C)nn1 ZINC000191703122 540175816 /nfs/dbraw/zinc/17/58/16/540175816.db2.gz JZMJFJYQFQOKIU-UHFFFAOYSA-N 2 2 336.484 1.131 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000040929932 138101408 /nfs/dbraw/zinc/10/14/08/138101408.db2.gz GMYHNRBOPFWTCO-UHFFFAOYSA-N 2 2 337.468 1.257 20 0 EDADLP CCc1nnc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)o1 ZINC000066568389 138179944 /nfs/dbraw/zinc/17/99/44/138179944.db2.gz DXIXGHWKXBBXBQ-UHFFFAOYSA-N 2 2 349.479 1.398 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000103142423 138299084 /nfs/dbraw/zinc/29/90/84/138299084.db2.gz RWWXFGUKEFABJI-GASCZTMLSA-N 2 2 332.510 1.242 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](CCCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000103142423 138299085 /nfs/dbraw/zinc/29/90/85/138299085.db2.gz RWWXFGUKEFABJI-GASCZTMLSA-N 2 2 332.510 1.242 20 0 EDADLP C[NH+](C)CCN1CCC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000103303159 138299270 /nfs/dbraw/zinc/29/92/70/138299270.db2.gz JVCSZBTXGKRMNS-UHFFFAOYSA-N 2 2 348.495 1.256 20 0 EDADLP CN(C)CC[NH+]1CCC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000103303159 138299271 /nfs/dbraw/zinc/29/92/71/138299271.db2.gz JVCSZBTXGKRMNS-UHFFFAOYSA-N 2 2 348.495 1.256 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COCC(F)(F)F)CC2)CC1 ZINC000124364544 138326223 /nfs/dbraw/zinc/32/62/23/138326223.db2.gz BUZFBYVWRVAZAW-UHFFFAOYSA-N 2 2 337.386 1.240 20 0 EDADLP OC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCCCC1 ZINC000129842587 138338920 /nfs/dbraw/zinc/33/89/20/138338920.db2.gz OSFHMWMXVKZPKK-UHFFFAOYSA-N 2 2 339.524 1.458 20 0 EDADLP OC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCCCC1 ZINC000129842587 138338921 /nfs/dbraw/zinc/33/89/21/138338921.db2.gz OSFHMWMXVKZPKK-UHFFFAOYSA-N 2 2 339.524 1.458 20 0 EDADLP COCC[NH+]1[C@H](C)CN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000130450355 138341396 /nfs/dbraw/zinc/34/13/96/138341396.db2.gz IUYUESYHDDMUBJ-HZPDHXFCSA-N 2 2 329.448 1.808 20 0 EDADLP Oc1cccc2c1CC[C@@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000130561764 138342274 /nfs/dbraw/zinc/34/22/74/138342274.db2.gz GFQHUSNORBHDDE-IBGZPJMESA-N 2 2 345.487 1.766 20 0 EDADLP Oc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000130561764 138342275 /nfs/dbraw/zinc/34/22/75/138342275.db2.gz GFQHUSNORBHDDE-IBGZPJMESA-N 2 2 345.487 1.766 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000360117134 283233103 /nfs/dbraw/zinc/23/31/03/283233103.db2.gz BTJRSFZBKKQLTC-KRWDZBQOSA-N 2 2 341.544 1.386 20 0 EDADLP C[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)[NH+]1CC(C)C1 ZINC000563829644 306348941 /nfs/dbraw/zinc/34/89/41/306348941.db2.gz JZRNJRYZLITTAU-DLBZAZTESA-N 2 2 345.487 1.864 20 0 EDADLP C[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)[NH+]1CC(C)C1 ZINC000563829644 306348942 /nfs/dbraw/zinc/34/89/42/306348942.db2.gz JZRNJRYZLITTAU-DLBZAZTESA-N 2 2 345.487 1.864 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000413735176 304075505 /nfs/dbraw/zinc/07/55/05/304075505.db2.gz XJNZUPKMJZAIRU-KBPBESRZSA-N 2 2 328.526 1.548 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000413735176 304075506 /nfs/dbraw/zinc/07/55/06/304075506.db2.gz XJNZUPKMJZAIRU-KBPBESRZSA-N 2 2 328.526 1.548 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C(F)F ZINC000564328414 306358655 /nfs/dbraw/zinc/35/86/55/306358655.db2.gz ONFRMUVNPZLQKO-KGLIPLIRSA-N 2 2 329.366 1.889 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C(F)F ZINC000564328414 306358656 /nfs/dbraw/zinc/35/86/56/306358656.db2.gz ONFRMUVNPZLQKO-KGLIPLIRSA-N 2 2 329.366 1.889 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448258585 305294721 /nfs/dbraw/zinc/29/47/21/305294721.db2.gz XDRIGUQUODBEEL-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448258585 305294722 /nfs/dbraw/zinc/29/47/22/305294722.db2.gz XDRIGUQUODBEEL-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000564659347 306362628 /nfs/dbraw/zinc/36/26/28/306362628.db2.gz UMPMLPJWCMYYDI-YOEHRIQHSA-N 3 2 329.448 1.045 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC[C@@H]2CCCCO2)CC1 ZINC000184302855 138793656 /nfs/dbraw/zinc/79/36/56/138793656.db2.gz QLIHTMHVKLPMIU-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565205346 306378225 /nfs/dbraw/zinc/37/82/25/306378225.db2.gz BPOJQECBAMOFLQ-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565205346 306378226 /nfs/dbraw/zinc/37/82/26/306378226.db2.gz BPOJQECBAMOFLQ-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000072859136 216319854 /nfs/dbraw/zinc/31/98/54/216319854.db2.gz CTUILAYCGSAAPA-KRWDZBQOSA-N 2 2 333.476 1.764 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000072859136 216319856 /nfs/dbraw/zinc/31/98/56/216319856.db2.gz CTUILAYCGSAAPA-KRWDZBQOSA-N 2 2 333.476 1.764 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000072859136 216319859 /nfs/dbraw/zinc/31/98/59/216319859.db2.gz CTUILAYCGSAAPA-KRWDZBQOSA-N 2 2 333.476 1.764 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCOc2cccc(C)c2)C1 ZINC000072859136 216319862 /nfs/dbraw/zinc/31/98/62/216319862.db2.gz CTUILAYCGSAAPA-KRWDZBQOSA-N 2 2 333.476 1.764 20 0 EDADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1=O ZINC000072971698 216334372 /nfs/dbraw/zinc/33/43/72/216334372.db2.gz VZKZITJBLCUXQY-CQSZACIVSA-N 2 2 341.415 1.221 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@H](O)C(F)(F)F)c2cc1C ZINC000565833725 306392897 /nfs/dbraw/zinc/39/28/97/306392897.db2.gz QCVAZRPFFWDSOS-WFASDCNBSA-N 2 2 345.365 1.917 20 0 EDADLP Cn1cnc2cc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)ccc21 ZINC000133058422 223385001 /nfs/dbraw/zinc/38/50/01/223385001.db2.gz BEAQEBKCPNGJNM-UHFFFAOYSA-N 2 2 329.448 1.329 20 0 EDADLP C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c2ccccc2)CC1 ZINC000566968475 306434541 /nfs/dbraw/zinc/43/45/41/306434541.db2.gz ROSAJMYKQLOTMB-HUUCEWRRSA-N 2 2 331.382 1.488 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000237379989 139049622 /nfs/dbraw/zinc/04/96/22/139049622.db2.gz OAYZRFLZHDZDNE-LJQANCHMSA-N 2 2 347.459 1.348 20 0 EDADLP C[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237443601 139051503 /nfs/dbraw/zinc/05/15/03/139051503.db2.gz JDSQZWJPUQPWMW-CXAGYDPISA-N 2 2 334.439 1.190 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC12CCOCC2 ZINC000567470213 306453152 /nfs/dbraw/zinc/45/31/52/306453152.db2.gz UXVXTXPOGPPSMQ-XHDPSFHLSA-N 2 2 339.386 1.179 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1COCC[NH2+]1 ZINC000237671252 139057519 /nfs/dbraw/zinc/05/75/19/139057519.db2.gz QEZGWXJOOFDWOK-MRXNPFEDSA-N 2 2 337.851 1.409 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415424 139073179 /nfs/dbraw/zinc/07/31/79/139073179.db2.gz DEVTZRPEPFEGIX-MAUKXSAKSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415424 139073180 /nfs/dbraw/zinc/07/31/80/139073180.db2.gz DEVTZRPEPFEGIX-MAUKXSAKSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415424 139073181 /nfs/dbraw/zinc/07/31/81/139073181.db2.gz DEVTZRPEPFEGIX-MAUKXSAKSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415424 139073182 /nfs/dbraw/zinc/07/31/82/139073182.db2.gz DEVTZRPEPFEGIX-MAUKXSAKSA-N 2 2 333.476 1.974 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245512181 139077668 /nfs/dbraw/zinc/07/76/68/139077668.db2.gz NCAQPFAJWCMNMF-OWCLPIDISA-N 2 2 331.464 1.832 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000245543535 139078689 /nfs/dbraw/zinc/07/86/89/139078689.db2.gz LTBVIQLCAWPJQH-IRXDYDNUSA-N 2 2 343.475 1.930 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3c(F)cccc3F)C2)CC1 ZINC000245948864 139091002 /nfs/dbraw/zinc/09/10/02/139091002.db2.gz XRQKJVQRKHYQLY-WMLDXEAASA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)c3c(F)cccc3F)C2)CC1 ZINC000245948864 139091003 /nfs/dbraw/zinc/09/10/03/139091003.db2.gz XRQKJVQRKHYQLY-WMLDXEAASA-N 2 2 339.430 1.710 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2[nH+]c1C1CC1 ZINC000415302817 304189467 /nfs/dbraw/zinc/18/94/67/304189467.db2.gz CTJZUWATWUBOSB-CYBMUJFWSA-N 2 2 341.415 1.257 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000246922042 139126994 /nfs/dbraw/zinc/12/69/94/139126994.db2.gz GMDLBRXNYVWYSY-IEBWSBKVSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000246922042 139126995 /nfs/dbraw/zinc/12/69/95/139126995.db2.gz GMDLBRXNYVWYSY-IEBWSBKVSA-N 2 2 346.519 1.992 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000568176253 306474669 /nfs/dbraw/zinc/47/46/69/306474669.db2.gz VGPNASXRRLCQCI-DLBZAZTESA-N 2 2 339.524 1.991 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000568210292 306475705 /nfs/dbraw/zinc/47/57/05/306475705.db2.gz UMUUBLBIOXPTIZ-MRXNPFEDSA-N 2 2 333.476 1.583 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000568371838 306480052 /nfs/dbraw/zinc/48/00/52/306480052.db2.gz AIXPLHWMIKSSRT-GOSISDBHSA-N 2 2 348.491 1.667 20 0 EDADLP CO[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000248414404 139162653 /nfs/dbraw/zinc/16/26/53/139162653.db2.gz GYCDEAPJRMGNBB-MSOLQXFVSA-N 2 2 332.492 1.951 20 0 EDADLP CO[C@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000248414404 139162654 /nfs/dbraw/zinc/16/26/54/139162654.db2.gz GYCDEAPJRMGNBB-MSOLQXFVSA-N 2 2 332.492 1.951 20 0 EDADLP CC[C@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000248548583 139167080 /nfs/dbraw/zinc/16/70/80/139167080.db2.gz JWKYZQQZSFDXOJ-FSGLHJGXSA-N 2 2 349.519 1.961 20 0 EDADLP CC[C@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000248548583 139167081 /nfs/dbraw/zinc/16/70/81/139167081.db2.gz JWKYZQQZSFDXOJ-FSGLHJGXSA-N 2 2 349.519 1.961 20 0 EDADLP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000248869472 139178403 /nfs/dbraw/zinc/17/84/03/139178403.db2.gz ZQJKZCZJGCLZAG-BJWYYQGGSA-N 2 2 346.475 1.354 20 0 EDADLP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000248869472 139178404 /nfs/dbraw/zinc/17/84/04/139178404.db2.gz ZQJKZCZJGCLZAG-BJWYYQGGSA-N 2 2 346.475 1.354 20 0 EDADLP C1=CC[C@@H](C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000093562029 218232701 /nfs/dbraw/zinc/23/27/01/218232701.db2.gz NTZWQJIDKQGGEC-QGZVFWFLSA-N 2 2 343.475 1.792 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000093663815 218239760 /nfs/dbraw/zinc/23/97/60/218239760.db2.gz BZCCAVQWYJWJEX-CQSZACIVSA-N 2 2 334.416 1.578 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000093663815 218239763 /nfs/dbraw/zinc/23/97/63/218239763.db2.gz BZCCAVQWYJWJEX-CQSZACIVSA-N 2 2 334.416 1.578 20 0 EDADLP C[C@@H]1CN(CC[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000249461251 139193699 /nfs/dbraw/zinc/19/36/99/139193699.db2.gz ZLYWJGYJBMWJLB-QUCCMNQESA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1CN(CC[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000249461251 139193700 /nfs/dbraw/zinc/19/37/00/139193700.db2.gz ZLYWJGYJBMWJLB-QUCCMNQESA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000249461251 139193701 /nfs/dbraw/zinc/19/37/01/139193701.db2.gz ZLYWJGYJBMWJLB-QUCCMNQESA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000249461251 139193702 /nfs/dbraw/zinc/19/37/02/139193702.db2.gz ZLYWJGYJBMWJLB-QUCCMNQESA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000249461251 139193703 /nfs/dbraw/zinc/19/37/03/139193703.db2.gz ZLYWJGYJBMWJLB-QUCCMNQESA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000249461251 139193704 /nfs/dbraw/zinc/19/37/04/139193704.db2.gz ZLYWJGYJBMWJLB-QUCCMNQESA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000249461251 139193705 /nfs/dbraw/zinc/19/37/05/139193705.db2.gz ZLYWJGYJBMWJLB-QUCCMNQESA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000249461251 139193706 /nfs/dbraw/zinc/19/37/06/139193706.db2.gz ZLYWJGYJBMWJLB-QUCCMNQESA-N 2 2 347.503 1.276 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250292965 139200940 /nfs/dbraw/zinc/20/09/40/139200940.db2.gz VZSRNWSKDSTLQU-MSOLQXFVSA-N 2 2 339.524 1.972 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250292965 139200941 /nfs/dbraw/zinc/20/09/41/139200941.db2.gz VZSRNWSKDSTLQU-MSOLQXFVSA-N 2 2 339.524 1.972 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccn1 ZINC000261589112 139209245 /nfs/dbraw/zinc/20/92/45/139209245.db2.gz KLFIMDDJOKGGFC-SFHVURJKSA-N 2 2 340.427 1.171 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccn1 ZINC000261589112 139209246 /nfs/dbraw/zinc/20/92/46/139209246.db2.gz KLFIMDDJOKGGFC-SFHVURJKSA-N 2 2 340.427 1.171 20 0 EDADLP Cc1sc2[nH]c(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)nc(=O)c2c1C ZINC000261627992 139212589 /nfs/dbraw/zinc/21/25/89/139212589.db2.gz GZIFEZSHMOQMBJ-CYBMUJFWSA-N 2 2 347.488 1.493 20 0 EDADLP Cc1sc2[nH]c(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)nc(=O)c2c1C ZINC000261627992 139212590 /nfs/dbraw/zinc/21/25/90/139212590.db2.gz GZIFEZSHMOQMBJ-CYBMUJFWSA-N 2 2 347.488 1.493 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000261640059 139213500 /nfs/dbraw/zinc/21/35/00/139213500.db2.gz DTWCRJJFPGCMAL-ZDUSSCGKSA-N 2 2 340.830 1.397 20 0 EDADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000261640059 139213501 /nfs/dbraw/zinc/21/35/01/139213501.db2.gz DTWCRJJFPGCMAL-ZDUSSCGKSA-N 2 2 340.830 1.397 20 0 EDADLP COc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1F ZINC000261649826 139214398 /nfs/dbraw/zinc/21/43/98/139214398.db2.gz DXRMGNZHBFZZCF-UHFFFAOYSA-N 2 2 345.422 1.909 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC(=O)C[NH+]3CC(C)(C)C3)nc2)CC1 ZINC000569137422 306498012 /nfs/dbraw/zinc/49/80/12/306498012.db2.gz HMWZSKNKZIPCLL-UHFFFAOYSA-N 2 2 345.491 1.892 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])c[nH+]2)CCO1 ZINC000261878645 139233521 /nfs/dbraw/zinc/23/35/21/139233521.db2.gz YTZFGYMPGAKDOX-CWRNSKLLSA-N 2 2 332.448 1.440 20 0 EDADLP [NH3+][C@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C1CCOCC1 ZINC000261908880 139236033 /nfs/dbraw/zinc/23/60/33/139236033.db2.gz XHRNCMFTKPVAPF-KRWDZBQOSA-N 2 2 332.448 1.442 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000569202854 306499171 /nfs/dbraw/zinc/49/91/71/306499171.db2.gz TWTICAYAXLGXCO-GJZGRUSLSA-N 2 2 331.395 1.700 20 0 EDADLP Cn1c2ccccc2[nH+]c1N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262262495 139264634 /nfs/dbraw/zinc/26/46/34/139264634.db2.gz RHWXVXSONIZEBQ-ZBFHGGJFSA-N 2 2 341.459 1.658 20 0 EDADLP CN(Cc1noc(C[NH3+])n1)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000262304623 139268430 /nfs/dbraw/zinc/26/84/30/139268430.db2.gz XXXDCBAFUOOBQX-LBPRGKRZSA-N 2 2 337.449 1.095 20 0 EDADLP [NH3+][C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cscn1 ZINC000569355987 306505296 /nfs/dbraw/zinc/50/52/96/306505296.db2.gz HHQUTOZUSRYIHG-INIZCTEOSA-N 2 2 346.456 1.292 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416832804 251111516 /nfs/dbraw/zinc/11/15/16/251111516.db2.gz WRBFVKWUBKURNS-AVGNSLFASA-N 2 2 326.466 1.156 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000416880434 251117842 /nfs/dbraw/zinc/11/78/42/251117842.db2.gz DZDFLLBMIBIQJH-WMZOPIPTSA-N 2 2 346.475 1.359 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCO1 ZINC000416996964 251123030 /nfs/dbraw/zinc/12/30/30/251123030.db2.gz XAGRRMHIFLMGOV-MRXNPFEDSA-N 2 2 347.463 1.331 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N2CCC[C@@H]2C[NH3+])[NH+]2CCOCC2)c1 ZINC000416996481 251123310 /nfs/dbraw/zinc/12/33/10/251123310.db2.gz MXPWASSSSIFPPT-QZTJIDSGSA-N 2 2 346.475 1.501 20 0 EDADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262331273 139270807 /nfs/dbraw/zinc/27/08/07/139270807.db2.gz DZLLPQOMFQHMON-HOTGVXAUSA-N 2 2 326.400 1.548 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000417596955 251202104 /nfs/dbraw/zinc/20/21/04/251202104.db2.gz RMIVUBMNMONFMJ-ROUUACIJSA-N 2 2 347.507 1.355 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000417596955 251202108 /nfs/dbraw/zinc/20/21/08/251202108.db2.gz RMIVUBMNMONFMJ-ROUUACIJSA-N 2 2 347.507 1.355 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH3+])c1c(F)cccc1F ZINC000417663884 251219193 /nfs/dbraw/zinc/21/91/93/251219193.db2.gz VQLADHPOODHVRG-FZMZJTMJSA-N 2 2 326.391 1.700 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417992435 251318965 /nfs/dbraw/zinc/31/89/65/251318965.db2.gz MIOLLLASDFEZIZ-HIFRSBDPSA-N 2 2 344.381 1.887 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417992435 251318967 /nfs/dbraw/zinc/31/89/67/251318967.db2.gz MIOLLLASDFEZIZ-HIFRSBDPSA-N 2 2 344.381 1.887 20 0 EDADLP CN(C(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC([NH3+])C1 ZINC000417858162 251300498 /nfs/dbraw/zinc/30/04/98/251300498.db2.gz YUZQMUSFEWKHLN-UHFFFAOYSA-N 2 2 327.432 1.757 20 0 EDADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000418385544 251363131 /nfs/dbraw/zinc/36/31/31/251363131.db2.gz QDDRSZSRVYEWMJ-MRXNPFEDSA-N 2 2 336.867 1.919 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])on1 ZINC000418708148 251390626 /nfs/dbraw/zinc/39/06/26/251390626.db2.gz UEJUXWLWLYEPPF-MQYQWHSLSA-N 2 2 341.431 1.273 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])on1 ZINC000418708148 251390630 /nfs/dbraw/zinc/39/06/30/251390630.db2.gz UEJUXWLWLYEPPF-MQYQWHSLSA-N 2 2 341.431 1.273 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418626464 251380843 /nfs/dbraw/zinc/38/08/43/251380843.db2.gz LHXQDZINMCFMPZ-AGIUHOORSA-N 2 2 328.457 1.568 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418626464 251380846 /nfs/dbraw/zinc/38/08/46/251380846.db2.gz LHXQDZINMCFMPZ-AGIUHOORSA-N 2 2 328.457 1.568 20 0 EDADLP C[C@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422709506 251957902 /nfs/dbraw/zinc/95/79/02/251957902.db2.gz DRWQVTHWRMZGAH-WMZOPIPTSA-N 2 2 336.524 1.441 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(I)cc1 ZINC000423523870 252059323 /nfs/dbraw/zinc/05/93/23/252059323.db2.gz NVGDZJAMEUWCDH-GXFFZTMASA-N 2 2 346.212 1.930 20 0 EDADLP CC(C)([NH3+])C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000423737063 252067900 /nfs/dbraw/zinc/06/79/00/252067900.db2.gz CNDDUHZVFFBDLB-UHFFFAOYSA-N 2 2 349.866 1.759 20 0 EDADLP CC(C)([NH3+])C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000423737063 252067905 /nfs/dbraw/zinc/06/79/05/252067905.db2.gz CNDDUHZVFFBDLB-UHFFFAOYSA-N 2 2 349.866 1.759 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000423864670 252095279 /nfs/dbraw/zinc/09/52/79/252095279.db2.gz CAIDUEXEYMAFDA-KBAYOESNSA-N 2 2 331.460 1.564 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000423864798 252096821 /nfs/dbraw/zinc/09/68/21/252096821.db2.gz ZMEOBEJRGXQPTO-JFIYKMOQSA-N 2 2 345.487 1.974 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000423864798 252096824 /nfs/dbraw/zinc/09/68/24/252096824.db2.gz ZMEOBEJRGXQPTO-JFIYKMOQSA-N 2 2 345.487 1.974 20 0 EDADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424044320 252123000 /nfs/dbraw/zinc/12/30/00/252123000.db2.gz IZBZKBSGTSJOCC-DLBZAZTESA-N 2 2 325.368 1.687 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424047967 252124851 /nfs/dbraw/zinc/12/48/51/252124851.db2.gz XXEIZXASSOCBPP-SJORKVTESA-N 2 2 337.508 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424047967 252124854 /nfs/dbraw/zinc/12/48/54/252124854.db2.gz XXEIZXASSOCBPP-SJORKVTESA-N 2 2 337.508 1.724 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c2ccccc2C1 ZINC000424161304 252149751 /nfs/dbraw/zinc/14/97/51/252149751.db2.gz VOKYFVVJVZQLJQ-HNNXBMFYSA-N 2 2 340.431 1.295 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c2ccccc2C1 ZINC000424161304 252149755 /nfs/dbraw/zinc/14/97/55/252149755.db2.gz VOKYFVVJVZQLJQ-HNNXBMFYSA-N 2 2 340.431 1.295 20 0 EDADLP Cc1cn2cc(NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)ccc2[nH+]1 ZINC000424160758 252149919 /nfs/dbraw/zinc/14/99/19/252149919.db2.gz UOFBOYJJVILRQY-ZDUSSCGKSA-N 2 2 325.376 1.411 20 0 EDADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)C[NH+]1CCOCC1 ZINC000153343161 224090662 /nfs/dbraw/zinc/09/06/62/224090662.db2.gz SZCWNIUOWMKKAJ-HOTGVXAUSA-N 2 2 329.448 1.886 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000424279511 252190164 /nfs/dbraw/zinc/19/01/64/252190164.db2.gz GMXQUYIRRAMPHF-FOIPXRHGSA-N 2 2 332.444 1.553 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000424279511 252190167 /nfs/dbraw/zinc/19/01/67/252190167.db2.gz GMXQUYIRRAMPHF-FOIPXRHGSA-N 2 2 332.444 1.553 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000263132171 139324092 /nfs/dbraw/zinc/32/40/92/139324092.db2.gz BVARKJPFXQSAKD-TVQRCGJNSA-N 2 2 342.230 1.244 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000263247142 139330849 /nfs/dbraw/zinc/33/08/49/139330849.db2.gz IDQGIGWDKGZDTP-SZMVWBNQSA-N 2 2 331.460 1.646 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)N1CC[NH+](C)CC1 ZINC000112512040 220341054 /nfs/dbraw/zinc/34/10/54/220341054.db2.gz NQJLIRWBBSDUIV-AWEZNQCLSA-N 2 2 327.432 1.662 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000112636385 220361125 /nfs/dbraw/zinc/36/11/25/220361125.db2.gz JCZZRDGYHJNAHY-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000112636385 220361128 /nfs/dbraw/zinc/36/11/28/220361128.db2.gz JCZZRDGYHJNAHY-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP CN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000263843716 139364235 /nfs/dbraw/zinc/36/42/35/139364235.db2.gz XHVPSJWFQCURCY-UHFFFAOYSA-N 2 2 341.459 1.834 20 0 EDADLP C[C@H]1C[N@@H+](C2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)CCO1 ZINC000154366089 224244421 /nfs/dbraw/zinc/24/44/21/224244421.db2.gz KQPDTMMZEORLSR-LBPRGKRZSA-N 2 2 337.386 1.240 20 0 EDADLP C[C@H]1C[N@H+](C2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)CCO1 ZINC000154366089 224244423 /nfs/dbraw/zinc/24/44/23/224244423.db2.gz KQPDTMMZEORLSR-LBPRGKRZSA-N 2 2 337.386 1.240 20 0 EDADLP COc1ccc(/C=C\C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1O ZINC000492704669 255185220 /nfs/dbraw/zinc/18/52/20/255185220.db2.gz KPNWCNBNJNHLLL-ALCCZGGFSA-N 2 2 347.459 1.556 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC(=O)/C=C/c3[nH]cc[nH+]3)nc2)CC1 ZINC000493814792 255222489 /nfs/dbraw/zinc/22/24/89/255222489.db2.gz OOJJABCTPHNTIL-AATRIKPKSA-N 2 2 340.431 1.987 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493893764 255225201 /nfs/dbraw/zinc/22/52/01/255225201.db2.gz IYMGUUYYTVBSAN-BRSBDYLESA-N 2 2 349.519 1.866 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493893764 255225202 /nfs/dbraw/zinc/22/52/02/255225202.db2.gz IYMGUUYYTVBSAN-BRSBDYLESA-N 2 2 349.519 1.866 20 0 EDADLP CC[C@@H]1CN(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000494465640 255251796 /nfs/dbraw/zinc/25/17/96/255251796.db2.gz CBDWQBXASUSBFR-SXLOBPIMSA-N 2 2 346.519 1.992 20 0 EDADLP CC[C@@H]1CN(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCO1 ZINC000494465640 255251797 /nfs/dbraw/zinc/25/17/97/255251797.db2.gz CBDWQBXASUSBFR-SXLOBPIMSA-N 2 2 346.519 1.992 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CCO1 ZINC000494865786 255263633 /nfs/dbraw/zinc/26/36/33/255263633.db2.gz PNZVJLJMVYMKJW-GOEBONIOSA-N 2 2 337.468 1.238 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CCO1 ZINC000494865786 255263634 /nfs/dbraw/zinc/26/36/34/255263634.db2.gz PNZVJLJMVYMKJW-GOEBONIOSA-N 2 2 337.468 1.238 20 0 EDADLP O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495005408 255265592 /nfs/dbraw/zinc/26/55/92/255265592.db2.gz OMKLTBYLTHCXQC-UONOGXRCSA-N 2 2 345.399 1.758 20 0 EDADLP O[C@@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000495005408 255265593 /nfs/dbraw/zinc/26/55/93/255265593.db2.gz OMKLTBYLTHCXQC-UONOGXRCSA-N 2 2 345.399 1.758 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000118118015 221123818 /nfs/dbraw/zinc/12/38/18/221123818.db2.gz GWTXDENGBSVDGL-AWEZNQCLSA-N 2 2 343.431 1.657 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000118118015 221123822 /nfs/dbraw/zinc/12/38/22/221123822.db2.gz GWTXDENGBSVDGL-AWEZNQCLSA-N 2 2 343.431 1.657 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000118771947 221180046 /nfs/dbraw/zinc/18/00/46/221180046.db2.gz CQOKFBNDMIEAPA-UHFFFAOYSA-N 2 2 346.475 1.799 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCc3nnc4n3CCCC4)c12 ZINC000119048380 221232047 /nfs/dbraw/zinc/23/20/47/221232047.db2.gz MJTJPAVSRHLZJH-UHFFFAOYSA-N 2 2 347.386 1.750 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N(CCOC)CC[NH+](C)C ZINC000264171915 139384332 /nfs/dbraw/zinc/38/43/32/139384332.db2.gz KRRWGDAEXVTOPH-UHFFFAOYSA-N 2 2 332.448 1.635 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000155018521 224343298 /nfs/dbraw/zinc/34/32/98/224343298.db2.gz UCMJQCPKBXFPNR-AWEZNQCLSA-N 2 2 332.448 1.874 20 0 EDADLP C[C@H](CNC(=O)NCc1[nH+]ccn1C)[N@@H+]1CCc2sccc2C1 ZINC000264235221 139388954 /nfs/dbraw/zinc/38/89/54/139388954.db2.gz WFCROYQKLXAVPK-GFCCVEGCSA-N 2 2 333.461 1.728 20 0 EDADLP C[C@H](CNC(=O)NCc1[nH+]ccn1C)[N@H+]1CCc2sccc2C1 ZINC000264235221 139388955 /nfs/dbraw/zinc/38/89/55/139388955.db2.gz WFCROYQKLXAVPK-GFCCVEGCSA-N 2 2 333.461 1.728 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000415928824 304286086 /nfs/dbraw/zinc/28/60/86/304286086.db2.gz GBMQXGKDWBBNKF-IRXDYDNUSA-N 2 2 332.448 1.733 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000415928824 304286088 /nfs/dbraw/zinc/28/60/88/304286088.db2.gz GBMQXGKDWBBNKF-IRXDYDNUSA-N 2 2 332.448 1.733 20 0 EDADLP COC1(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CCC(C)CC1 ZINC000571277673 306560688 /nfs/dbraw/zinc/56/06/88/306560688.db2.gz PLPGFABCRORMSH-MFJUZZNBSA-N 2 2 328.497 1.641 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000269889938 140013617 /nfs/dbraw/zinc/01/36/17/140013617.db2.gz CRIZONBJPIJSDK-LJQANCHMSA-N 2 2 328.460 1.933 20 0 EDADLP Cc1[nH+]ccn1CCCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000269889938 140013618 /nfs/dbraw/zinc/01/36/18/140013618.db2.gz CRIZONBJPIJSDK-LJQANCHMSA-N 2 2 328.460 1.933 20 0 EDADLP COc1cccc(C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C2CC2)c1 ZINC000269892518 140013790 /nfs/dbraw/zinc/01/37/90/140013790.db2.gz DPMVQVQZJHNWBE-OALUTQOASA-N 2 2 345.487 1.946 20 0 EDADLP COc1cccc(C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C2CC2)c1 ZINC000269892518 140013792 /nfs/dbraw/zinc/01/37/92/140013792.db2.gz DPMVQVQZJHNWBE-OALUTQOASA-N 2 2 345.487 1.946 20 0 EDADLP CCN(Cc1ccncc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000270419932 140096977 /nfs/dbraw/zinc/09/69/77/140096977.db2.gz TZJNFOQFSKLPPR-UHFFFAOYSA-N 2 2 333.480 1.639 20 0 EDADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(S(N)(=O)=O)c1 ZINC000271621698 140321766 /nfs/dbraw/zinc/32/17/66/140321766.db2.gz BRBJDWRLYUKWGE-ZDUSSCGKSA-N 2 2 334.445 1.882 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416302472 304306667 /nfs/dbraw/zinc/30/66/67/304306667.db2.gz WNZDQJBLUPTMIO-CVEARBPZSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)C[N@H+]1CCO ZINC000416302472 304306669 /nfs/dbraw/zinc/30/66/69/304306669.db2.gz WNZDQJBLUPTMIO-CVEARBPZSA-N 2 2 342.443 1.459 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)CCC2 ZINC000331480571 141036441 /nfs/dbraw/zinc/03/64/41/141036441.db2.gz PRKCUBSBCLAQFR-SCLBCKFNSA-N 2 2 336.432 1.798 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000331480571 141036442 /nfs/dbraw/zinc/03/64/42/141036442.db2.gz PRKCUBSBCLAQFR-SCLBCKFNSA-N 2 2 336.432 1.798 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+]C(C)(C)C3)c[nH+]2)CCO1 ZINC000332022944 141111983 /nfs/dbraw/zinc/11/19/83/141111983.db2.gz GDJGIZRNQCRXTC-CQSZACIVSA-N 2 2 347.463 1.200 20 0 EDADLP CN(C)c1nc(N2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)cc[nH+]1 ZINC000332515931 141194005 /nfs/dbraw/zinc/19/40/05/141194005.db2.gz AEZZEIQNSDAYHB-MRXNPFEDSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000332543426 141199913 /nfs/dbraw/zinc/19/99/13/141199913.db2.gz LXDNNGGYIWKCOF-HOCLYGCPSA-N 2 2 331.464 1.962 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C2 ZINC000332591183 141210238 /nfs/dbraw/zinc/21/02/38/141210238.db2.gz FIBLDZNKJOAASY-HIFRSBDPSA-N 2 2 334.464 1.058 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C2 ZINC000332591183 141210239 /nfs/dbraw/zinc/21/02/39/141210239.db2.gz FIBLDZNKJOAASY-HIFRSBDPSA-N 2 2 334.464 1.058 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)CCC2 ZINC000332696674 141230048 /nfs/dbraw/zinc/23/00/48/141230048.db2.gz YZWUBLVJMCFCGA-GOEBONIOSA-N 2 2 348.495 1.004 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333132928 141269483 /nfs/dbraw/zinc/26/94/83/141269483.db2.gz BXXPYIQXYWWFDD-SJORKVTESA-N 2 2 343.475 1.834 20 0 EDADLP CN(C)c1[nH+]cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)n1C ZINC000333477398 141323667 /nfs/dbraw/zinc/32/36/67/141323667.db2.gz OTLXWSABGNPUAH-UHFFFAOYSA-N 2 2 343.479 1.794 20 0 EDADLP Cc1cc(CNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc(C)[nH+]1 ZINC000333656187 141351425 /nfs/dbraw/zinc/35/14/25/141351425.db2.gz ZWIBGGRDAJISDW-SUMWQHHRSA-N 2 2 332.448 1.561 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000339779757 142153393 /nfs/dbraw/zinc/15/33/93/142153393.db2.gz UTEBIZRRQMPWOC-MJGOQNOKSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000339779757 142153394 /nfs/dbraw/zinc/15/33/94/142153394.db2.gz UTEBIZRRQMPWOC-MJGOQNOKSA-N 2 2 345.487 1.739 20 0 EDADLP COC(=O)c1occc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000344964478 143031954 /nfs/dbraw/zinc/03/19/54/143031954.db2.gz FRPJSZOJRVKNTR-CJNGLKHVSA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1occc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000344964478 143031955 /nfs/dbraw/zinc/03/19/55/143031955.db2.gz FRPJSZOJRVKNTR-CJNGLKHVSA-N 2 2 346.431 1.972 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000345028342 143041136 /nfs/dbraw/zinc/04/11/36/143041136.db2.gz LKYFZTOOHFEOOM-MRXNPFEDSA-N 2 2 349.479 1.671 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000345303576 143075410 /nfs/dbraw/zinc/07/54/10/143075410.db2.gz FIZPMIHPEMMVRE-UHFFFAOYSA-N 2 2 349.479 1.065 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000345640775 143115447 /nfs/dbraw/zinc/11/54/47/143115447.db2.gz MQOSPAUQSMQCOX-IBGZPJMESA-N 2 2 345.487 1.748 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000345640775 143115448 /nfs/dbraw/zinc/11/54/48/143115448.db2.gz MQOSPAUQSMQCOX-IBGZPJMESA-N 2 2 345.487 1.748 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC000345752601 143129189 /nfs/dbraw/zinc/12/91/89/143129189.db2.gz DTURERSMSKUVGH-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC000345752601 143129190 /nfs/dbraw/zinc/12/91/90/143129190.db2.gz DTURERSMSKUVGH-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000345752601 143129191 /nfs/dbraw/zinc/12/91/91/143129191.db2.gz DTURERSMSKUVGH-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000345752601 143129192 /nfs/dbraw/zinc/12/91/92/143129192.db2.gz DTURERSMSKUVGH-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1CC(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000346169972 143174526 /nfs/dbraw/zinc/17/45/26/143174526.db2.gz FSFDVIWFNHWBBC-GJZGRUSLSA-N 2 2 340.512 1.515 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000346171028 143174776 /nfs/dbraw/zinc/17/47/76/143174776.db2.gz NQHCUVDKXBFXNK-KBPBESRZSA-N 2 2 336.461 1.829 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000346171028 143174777 /nfs/dbraw/zinc/17/47/77/143174777.db2.gz NQHCUVDKXBFXNK-KBPBESRZSA-N 2 2 336.461 1.829 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000346287738 143187281 /nfs/dbraw/zinc/18/72/81/143187281.db2.gz SRMJXDHJIWHEST-KRWDZBQOSA-N 2 2 346.406 1.737 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000346287738 143187282 /nfs/dbraw/zinc/18/72/82/143187282.db2.gz SRMJXDHJIWHEST-KRWDZBQOSA-N 2 2 346.406 1.737 20 0 EDADLP COC(=O)c1cn(C2C[NH+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000346345428 143194343 /nfs/dbraw/zinc/19/43/43/143194343.db2.gz ZSFKQALUOJRPCL-UHFFFAOYSA-N 2 2 344.400 1.369 20 0 EDADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000346562543 143216918 /nfs/dbraw/zinc/21/69/18/143216918.db2.gz QBTCMXNUMSSYLK-MOPGFXCFSA-N 2 2 335.492 1.134 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1)C1CC1 ZINC000346593640 143220068 /nfs/dbraw/zinc/22/00/68/143220068.db2.gz OHTPZRYRHXJNCL-SFHVURJKSA-N 2 2 331.464 1.727 20 0 EDADLP CC[NH+](CC)CCC[NH2+][C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccnn1C ZINC000346716467 143236937 /nfs/dbraw/zinc/23/69/37/143236937.db2.gz UPDHIIXSSPYUNF-QAPCUYQASA-N 2 2 333.480 1.546 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000346952969 143265542 /nfs/dbraw/zinc/26/55/42/143265542.db2.gz BHXVWHLAHSSMOJ-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000346952969 143265543 /nfs/dbraw/zinc/26/55/43/143265543.db2.gz BHXVWHLAHSSMOJ-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347041601 143275361 /nfs/dbraw/zinc/27/53/61/143275361.db2.gz LEUVKDUWLVIMEU-UHFFFAOYSA-N 3 2 346.519 1.508 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347041601 143275362 /nfs/dbraw/zinc/27/53/62/143275362.db2.gz LEUVKDUWLVIMEU-UHFFFAOYSA-N 3 2 346.519 1.508 20 0 EDADLP C[NH+](CC(=O)N1CC[NH2+]CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000347041601 143275363 /nfs/dbraw/zinc/27/53/63/143275363.db2.gz LEUVKDUWLVIMEU-UHFFFAOYSA-N 3 2 346.519 1.508 20 0 EDADLP C[NH+](CC(=O)N1CC[NH2+]CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000347041601 143275364 /nfs/dbraw/zinc/27/53/64/143275364.db2.gz LEUVKDUWLVIMEU-UHFFFAOYSA-N 3 2 346.519 1.508 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1)C2 ZINC000347203807 143294424 /nfs/dbraw/zinc/29/44/24/143294424.db2.gz PYWFEDIOCZEXOP-GJZGRUSLSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1)C2 ZINC000347203807 143294425 /nfs/dbraw/zinc/29/44/25/143294425.db2.gz PYWFEDIOCZEXOP-GJZGRUSLSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1)CC2 ZINC000347203807 143294426 /nfs/dbraw/zinc/29/44/26/143294426.db2.gz PYWFEDIOCZEXOP-GJZGRUSLSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1)CC2 ZINC000347203807 143294427 /nfs/dbraw/zinc/29/44/27/143294427.db2.gz PYWFEDIOCZEXOP-GJZGRUSLSA-N 2 2 348.491 1.553 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347371625 143313667 /nfs/dbraw/zinc/31/36/67/143313667.db2.gz PCSOVBKRBFAQCQ-OALUTQOASA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347371625 143313668 /nfs/dbraw/zinc/31/36/68/143313668.db2.gz PCSOVBKRBFAQCQ-OALUTQOASA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347371624 143313797 /nfs/dbraw/zinc/31/37/97/143313797.db2.gz PCSOVBKRBFAQCQ-MOPGFXCFSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347371624 143313798 /nfs/dbraw/zinc/31/37/98/143313798.db2.gz PCSOVBKRBFAQCQ-MOPGFXCFSA-N 2 2 343.471 1.875 20 0 EDADLP CC[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1CCOC ZINC000347778480 143362158 /nfs/dbraw/zinc/36/21/58/143362158.db2.gz DIDDSVKCFMEKKA-CQSZACIVSA-N 2 2 326.510 1.747 20 0 EDADLP CC[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1CCOC ZINC000347778480 143362159 /nfs/dbraw/zinc/36/21/59/143362159.db2.gz DIDDSVKCFMEKKA-CQSZACIVSA-N 2 2 326.510 1.747 20 0 EDADLP CSC1(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000347848904 143369992 /nfs/dbraw/zinc/36/99/92/143369992.db2.gz BYQJSJWBCFCIPS-UHFFFAOYSA-N 2 2 349.504 1.331 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000572852941 306601245 /nfs/dbraw/zinc/60/12/45/306601245.db2.gz SFABLJULGIZSMB-ZDUSSCGKSA-N 2 2 331.395 1.548 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369841785 155198821 /nfs/dbraw/zinc/19/88/21/155198821.db2.gz HYPOAGXKKXDADW-IAGOWNOFSA-N 2 2 349.479 1.212 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)CCc3c[nH+]cn3C)C2)nc(C)[nH+]1 ZINC000369861388 155208218 /nfs/dbraw/zinc/20/82/18/155208218.db2.gz GLAWAOJQYXVLEV-OAHLLOKOSA-N 2 2 342.447 1.545 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416898362 304354243 /nfs/dbraw/zinc/35/42/43/304354243.db2.gz ZQVLGZPIEAXILR-WBVHZDCISA-N 2 2 334.464 1.357 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000353025215 149257700 /nfs/dbraw/zinc/25/77/00/149257700.db2.gz QYSZBQMQYPVEFS-MRXNPFEDSA-N 2 2 343.512 1.301 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(NC=O)cc3)C2)CC1 ZINC000369924616 155236223 /nfs/dbraw/zinc/23/62/23/155236223.db2.gz CQDWIKUZYKKFHR-MRXNPFEDSA-N 2 2 330.432 1.153 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(NC=O)cc3)C2)CC1 ZINC000369924616 155236228 /nfs/dbraw/zinc/23/62/28/155236228.db2.gz CQDWIKUZYKKFHR-MRXNPFEDSA-N 2 2 330.432 1.153 20 0 EDADLP CC(C)Cn1cc(C[NH2+]C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354872003 150004360 /nfs/dbraw/zinc/00/43/60/150004360.db2.gz OZMVQGHLSKRONB-IAGOWNOFSA-N 2 2 348.470 1.975 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2c[nH]cn2)cc[nH+]1 ZINC000354930989 150037572 /nfs/dbraw/zinc/03/75/72/150037572.db2.gz ZPVZSPUXNWNAQE-JSGCOSHPSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2c[nH]cn2)cc[nH+]1 ZINC000354930989 150037575 /nfs/dbraw/zinc/03/75/75/150037575.db2.gz ZPVZSPUXNWNAQE-JSGCOSHPSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cnc[nH]2)cc[nH+]1 ZINC000354930989 150037578 /nfs/dbraw/zinc/03/75/78/150037578.db2.gz ZPVZSPUXNWNAQE-JSGCOSHPSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cnc[nH]2)cc[nH+]1 ZINC000354930989 150037581 /nfs/dbraw/zinc/03/75/81/150037581.db2.gz ZPVZSPUXNWNAQE-JSGCOSHPSA-N 2 2 333.415 1.315 20 0 EDADLP C[NH2+]C[C@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000416979764 304360470 /nfs/dbraw/zinc/36/04/70/304360470.db2.gz FKPZPNVDVTWGIH-MRXNPFEDSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354985801 150065821 /nfs/dbraw/zinc/06/58/21/150065821.db2.gz SYZRLQPKWODJEO-GDBMZVCRSA-N 2 2 345.491 1.457 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354985801 150065822 /nfs/dbraw/zinc/06/58/22/150065822.db2.gz SYZRLQPKWODJEO-GDBMZVCRSA-N 2 2 345.491 1.457 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)no1 ZINC000355616072 150338312 /nfs/dbraw/zinc/33/83/12/150338312.db2.gz KXUWIMFSHUGEFP-UHFFFAOYSA-N 2 2 334.445 1.586 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC[N@H+]2CCc3sccc3C2)no1 ZINC000355616072 150338315 /nfs/dbraw/zinc/33/83/15/150338315.db2.gz KXUWIMFSHUGEFP-UHFFFAOYSA-N 2 2 334.445 1.586 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000337145608 296647565 /nfs/dbraw/zinc/64/75/65/296647565.db2.gz XMNGUTWKJOUNGW-RBSFLKMASA-N 2 2 337.430 1.790 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000357373847 151010466 /nfs/dbraw/zinc/01/04/66/151010466.db2.gz MKOSIWGMLNXRKA-GOSISDBHSA-N 2 2 342.443 1.772 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000357373847 151010469 /nfs/dbraw/zinc/01/04/69/151010469.db2.gz MKOSIWGMLNXRKA-GOSISDBHSA-N 2 2 342.443 1.772 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000357592226 151077455 /nfs/dbraw/zinc/07/74/55/151077455.db2.gz JPAGZCPYDYJYIM-CYBMUJFWSA-N 2 2 342.399 1.879 20 0 EDADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1)C(C)C ZINC000357625156 151089892 /nfs/dbraw/zinc/08/98/92/151089892.db2.gz HWCJAYALPPAMTO-JKSUJKDBSA-N 2 2 327.513 1.797 20 0 EDADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1)C(C)C ZINC000357625156 151089894 /nfs/dbraw/zinc/08/98/94/151089894.db2.gz HWCJAYALPPAMTO-JKSUJKDBSA-N 2 2 327.513 1.797 20 0 EDADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644399 151098725 /nfs/dbraw/zinc/09/87/25/151098725.db2.gz DMUZNOSQEZRDME-MRXNPFEDSA-N 2 2 337.508 1.770 20 0 EDADLP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644399 151098726 /nfs/dbraw/zinc/09/87/26/151098726.db2.gz DMUZNOSQEZRDME-MRXNPFEDSA-N 2 2 337.508 1.770 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649362 151101735 /nfs/dbraw/zinc/10/17/35/151101735.db2.gz PQAJPDJYYYISFO-OWCLPIDISA-N 2 2 325.497 1.268 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649362 151101737 /nfs/dbraw/zinc/10/17/37/151101737.db2.gz PQAJPDJYYYISFO-OWCLPIDISA-N 2 2 325.497 1.268 20 0 EDADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649378 151101817 /nfs/dbraw/zinc/10/18/17/151101817.db2.gz PTWOVMQSSVQBOV-IAGOWNOFSA-N 2 2 347.503 1.683 20 0 EDADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649378 151101819 /nfs/dbraw/zinc/10/18/19/151101819.db2.gz PTWOVMQSSVQBOV-IAGOWNOFSA-N 2 2 347.503 1.683 20 0 EDADLP C[N@H+](CCC(=O)NC(=O)Nc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000357721551 151125545 /nfs/dbraw/zinc/12/55/45/151125545.db2.gz CCWJYILQGXFODN-UHFFFAOYSA-N 2 2 348.447 1.113 20 0 EDADLP C[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000357721551 151125548 /nfs/dbraw/zinc/12/55/48/151125548.db2.gz CCWJYILQGXFODN-UHFFFAOYSA-N 2 2 348.447 1.113 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000357724123 151126219 /nfs/dbraw/zinc/12/62/19/151126219.db2.gz YGUBOWDHGUGHPN-VQIMIIECSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000357724123 151126221 /nfs/dbraw/zinc/12/62/21/151126221.db2.gz YGUBOWDHGUGHPN-VQIMIIECSA-N 2 2 336.476 1.341 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357978162 151219466 /nfs/dbraw/zinc/21/94/66/151219466.db2.gz SORQQKNYABSMPW-LSDHHAIUSA-N 2 2 331.464 1.831 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357978162 151219469 /nfs/dbraw/zinc/21/94/69/151219469.db2.gz SORQQKNYABSMPW-LSDHHAIUSA-N 2 2 331.464 1.831 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357978162 151219471 /nfs/dbraw/zinc/21/94/71/151219471.db2.gz SORQQKNYABSMPW-LSDHHAIUSA-N 2 2 331.464 1.831 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357978162 151219473 /nfs/dbraw/zinc/21/94/73/151219473.db2.gz SORQQKNYABSMPW-LSDHHAIUSA-N 2 2 331.464 1.831 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(F)F ZINC000417076098 304370315 /nfs/dbraw/zinc/37/03/15/304370315.db2.gz OIKFHFHIISVFGT-CQSZACIVSA-N 2 2 337.374 1.713 20 0 EDADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000358226239 151312200 /nfs/dbraw/zinc/31/22/00/151312200.db2.gz CVVSIDUWIXDJEV-LPHOPBHVSA-N 2 2 349.475 1.261 20 0 EDADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000358226239 151312202 /nfs/dbraw/zinc/31/22/02/151312202.db2.gz CVVSIDUWIXDJEV-LPHOPBHVSA-N 2 2 349.475 1.261 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000358373460 151354214 /nfs/dbraw/zinc/35/42/14/151354214.db2.gz DLTAZVLRAOOPNB-NVXWUHKLSA-N 2 2 346.537 1.538 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000358373460 151354215 /nfs/dbraw/zinc/35/42/15/151354215.db2.gz DLTAZVLRAOOPNB-NVXWUHKLSA-N 2 2 346.537 1.538 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1 ZINC000358388309 151358367 /nfs/dbraw/zinc/35/83/67/151358367.db2.gz CLABRNGJKOSQQC-CVEARBPZSA-N 2 2 346.537 1.538 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1 ZINC000358388309 151358369 /nfs/dbraw/zinc/35/83/69/151358369.db2.gz CLABRNGJKOSQQC-CVEARBPZSA-N 2 2 346.537 1.538 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360536709 152085635 /nfs/dbraw/zinc/08/56/35/152085635.db2.gz XKDAKIOCLGPLSV-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360536709 152085637 /nfs/dbraw/zinc/08/56/37/152085637.db2.gz XKDAKIOCLGPLSV-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@H]1CCCN(c2ncccn2)C1 ZINC000360553628 152092421 /nfs/dbraw/zinc/09/24/21/152092421.db2.gz VBRBOWFHNREECZ-AWEZNQCLSA-N 2 2 349.398 1.912 20 0 EDADLP Cc1nn(C)c(C)c1[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360896468 152244255 /nfs/dbraw/zinc/24/42/55/152244255.db2.gz HFFLFZJVFNNPEI-ZDUSSCGKSA-N 2 2 335.496 1.283 20 0 EDADLP CCC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000360953602 152262625 /nfs/dbraw/zinc/26/26/25/152262625.db2.gz IIURVXGQUAAGAG-OAHLLOKOSA-N 2 2 325.453 1.005 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccccc2O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000361084087 152297414 /nfs/dbraw/zinc/29/74/14/152297414.db2.gz AKHQMLLULJKUNF-OAHLLOKOSA-N 2 2 331.460 1.562 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccccc2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000361084087 152297417 /nfs/dbraw/zinc/29/74/17/152297417.db2.gz AKHQMLLULJKUNF-OAHLLOKOSA-N 2 2 331.460 1.562 20 0 EDADLP C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000361350401 152368889 /nfs/dbraw/zinc/36/88/89/152368889.db2.gz FQPWGLUVIZTTSW-DLBZAZTESA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000361350401 152368891 /nfs/dbraw/zinc/36/88/91/152368891.db2.gz FQPWGLUVIZTTSW-DLBZAZTESA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361354135 152369635 /nfs/dbraw/zinc/36/96/35/152369635.db2.gz WHPZBJKNQQBGHV-SJLPKXTDSA-N 3 2 334.508 1.523 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361354135 152369637 /nfs/dbraw/zinc/36/96/37/152369637.db2.gz WHPZBJKNQQBGHV-SJLPKXTDSA-N 3 2 334.508 1.523 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1)c1cccc(CO)c1 ZINC000362085941 152609975 /nfs/dbraw/zinc/60/99/75/152609975.db2.gz TVWNFCZPXYLFNH-MRXNPFEDSA-N 2 2 345.487 1.916 20 0 EDADLP COCCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000370190282 155369720 /nfs/dbraw/zinc/36/97/20/155369720.db2.gz FLPZZEDRNIAERT-PKOBYXMFSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000370190282 155369722 /nfs/dbraw/zinc/36/97/22/155369722.db2.gz FLPZZEDRNIAERT-PKOBYXMFSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000370190282 155369725 /nfs/dbraw/zinc/36/97/25/155369725.db2.gz FLPZZEDRNIAERT-PKOBYXMFSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000370190282 155369727 /nfs/dbraw/zinc/36/97/27/155369727.db2.gz FLPZZEDRNIAERT-PKOBYXMFSA-N 2 2 347.503 1.982 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)sc2n1 ZINC000363560242 153000524 /nfs/dbraw/zinc/00/05/24/153000524.db2.gz MSDHLYPKMRRQKS-HZSPNIEDSA-N 2 2 345.472 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)sc2n1 ZINC000363560242 153000528 /nfs/dbraw/zinc/00/05/28/153000528.db2.gz MSDHLYPKMRRQKS-HZSPNIEDSA-N 2 2 345.472 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)sc2n1 ZINC000363560242 153000530 /nfs/dbraw/zinc/00/05/30/153000530.db2.gz MSDHLYPKMRRQKS-HZSPNIEDSA-N 2 2 345.472 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)sc2n1 ZINC000363560242 153000532 /nfs/dbraw/zinc/00/05/32/153000532.db2.gz MSDHLYPKMRRQKS-HZSPNIEDSA-N 2 2 345.472 1.376 20 0 EDADLP CCCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363709028 153036131 /nfs/dbraw/zinc/03/61/31/153036131.db2.gz BNBLJLYWTJTYDK-BZUAXINKSA-N 2 2 332.510 1.290 20 0 EDADLP CCCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363709028 153036133 /nfs/dbraw/zinc/03/61/33/153036133.db2.gz BNBLJLYWTJTYDK-BZUAXINKSA-N 2 2 332.510 1.290 20 0 EDADLP c1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000363987075 153116191 /nfs/dbraw/zinc/11/61/91/153116191.db2.gz PJLPFHUXKBIYJV-INIZCTEOSA-N 2 2 331.464 1.768 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)cn21 ZINC000364736298 153318815 /nfs/dbraw/zinc/31/88/15/153318815.db2.gz PTLSHQUYYQFPRB-SIXWZSSISA-N 2 2 342.443 1.791 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574383541 306649395 /nfs/dbraw/zinc/64/93/95/306649395.db2.gz NUZWRLZRLRVNEH-MRXNPFEDSA-N 2 2 333.823 1.883 20 0 EDADLP O=C(CC[NH+]1CCC2(CCO2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000367081799 154003095 /nfs/dbraw/zinc/00/30/95/154003095.db2.gz VKLUGWQLWLENHN-UHFFFAOYSA-N 2 2 344.459 1.375 20 0 EDADLP c1cn2c([nH+]1)[C@H](CNN1CCC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000367349294 154084685 /nfs/dbraw/zinc/08/46/85/154084685.db2.gz NTMXNWPYPPXJIP-SJORKVTESA-N 2 2 333.480 1.309 20 0 EDADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000367999324 154363064 /nfs/dbraw/zinc/36/30/64/154363064.db2.gz CUNBHWRWQMUCMA-JSGCOSHPSA-N 2 2 348.472 1.868 20 0 EDADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000367999324 154363069 /nfs/dbraw/zinc/36/30/69/154363069.db2.gz CUNBHWRWQMUCMA-JSGCOSHPSA-N 2 2 348.472 1.868 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000368006766 154364553 /nfs/dbraw/zinc/36/45/53/154364553.db2.gz CABOZNDAWFQGLY-MSOLQXFVSA-N 2 2 331.460 1.349 20 0 EDADLP CC(C)n1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000368016200 154370627 /nfs/dbraw/zinc/37/06/27/154370627.db2.gz FHHLNGNSBVAINR-UHFFFAOYSA-N 2 2 348.495 1.235 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC1 ZINC000368071344 154396104 /nfs/dbraw/zinc/39/61/04/154396104.db2.gz GDWYTCPCWUAVQO-CYBMUJFWSA-N 2 2 326.462 1.914 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369398377 155013706 /nfs/dbraw/zinc/01/37/06/155013706.db2.gz NGRJAMKEQHNAQR-OAHLLOKOSA-N 2 2 339.915 1.982 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369398377 155013709 /nfs/dbraw/zinc/01/37/09/155013709.db2.gz NGRJAMKEQHNAQR-OAHLLOKOSA-N 2 2 339.915 1.982 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000369552885 155084136 /nfs/dbraw/zinc/08/41/36/155084136.db2.gz KIJHICIDHKRJQI-YHWZYXNKSA-N 2 2 326.356 1.448 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccn([C@H]3CCC[NH2+]C3)n1)C2 ZINC000369557543 155085840 /nfs/dbraw/zinc/08/58/40/155085840.db2.gz WHCUXCDWISWYPU-KGLIPLIRSA-N 2 2 328.420 1.057 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369600817 155105513 /nfs/dbraw/zinc/10/55/13/155105513.db2.gz ABHLKYBAQCJFGQ-JKSUJKDBSA-N 2 2 333.480 1.865 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369600817 155105518 /nfs/dbraw/zinc/10/55/18/155105518.db2.gz ABHLKYBAQCJFGQ-JKSUJKDBSA-N 2 2 333.480 1.865 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCSC3)C2)CC1 ZINC000369633344 155116688 /nfs/dbraw/zinc/11/66/88/155116688.db2.gz ZENSGMMESUHLMJ-KGLIPLIRSA-N 2 2 326.510 1.207 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCSC3)C2)CC1 ZINC000369633344 155116689 /nfs/dbraw/zinc/11/66/89/155116689.db2.gz ZENSGMMESUHLMJ-KGLIPLIRSA-N 2 2 326.510 1.207 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369648768 155119624 /nfs/dbraw/zinc/11/96/24/155119624.db2.gz PWEWYRKYTSESJL-YYIAUSFCSA-N 2 2 345.491 1.771 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369648768 155119627 /nfs/dbraw/zinc/11/96/27/155119627.db2.gz PWEWYRKYTSESJL-YYIAUSFCSA-N 2 2 345.491 1.771 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369648768 155119629 /nfs/dbraw/zinc/11/96/29/155119629.db2.gz PWEWYRKYTSESJL-YYIAUSFCSA-N 2 2 345.491 1.771 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369648768 155119632 /nfs/dbraw/zinc/11/96/32/155119632.db2.gz PWEWYRKYTSESJL-YYIAUSFCSA-N 2 2 345.491 1.771 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC000371572809 156010475 /nfs/dbraw/zinc/01/04/75/156010475.db2.gz HUNHHURPXRMLBY-AWEZNQCLSA-N 2 2 349.479 1.284 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000371826352 156125101 /nfs/dbraw/zinc/12/51/01/156125101.db2.gz HOOPIAXHVKIZIZ-UHFFFAOYSA-N 2 2 328.416 1.200 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000371907994 156162894 /nfs/dbraw/zinc/16/28/94/156162894.db2.gz XJRIBODWRJRBEA-GOEBONIOSA-N 2 2 333.480 1.744 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3nc(CC)cc(=O)[nH]3)CC2)CC1 ZINC000371961798 156185490 /nfs/dbraw/zinc/18/54/90/156185490.db2.gz ZPKJLJLUWGPKFA-UHFFFAOYSA-N 2 2 347.507 1.737 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372428007 156384809 /nfs/dbraw/zinc/38/48/09/156384809.db2.gz LCPXROIYZPDMLI-MJGOQNOKSA-N 3 2 333.524 1.930 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372428007 156384816 /nfs/dbraw/zinc/38/48/16/156384816.db2.gz LCPXROIYZPDMLI-MJGOQNOKSA-N 3 2 333.524 1.930 20 0 EDADLP C[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000417517655 304402975 /nfs/dbraw/zinc/40/29/75/304402975.db2.gz JFRVNDUEVHYMQB-IRXDYDNUSA-N 2 2 348.491 1.309 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)ccn1 ZINC000372835331 156553932 /nfs/dbraw/zinc/55/39/32/156553932.db2.gz GREPSMJSVSTBAA-SFHVURJKSA-N 2 2 348.491 1.317 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)ccn1 ZINC000372835331 156553936 /nfs/dbraw/zinc/55/39/36/156553936.db2.gz GREPSMJSVSTBAA-SFHVURJKSA-N 2 2 348.491 1.317 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC(=O)Nc1ccccc1 ZINC000374210927 157196120 /nfs/dbraw/zinc/19/61/20/157196120.db2.gz IOXFPRZGUCVDFD-UHFFFAOYSA-N 2 2 327.388 1.937 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000374457509 157298203 /nfs/dbraw/zinc/29/82/03/157298203.db2.gz UXHZKLHNNUWQEK-INIZCTEOSA-N 2 2 334.383 1.449 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000374777117 157397413 /nfs/dbraw/zinc/39/74/13/157397413.db2.gz GLYCOKZFYYYHPS-UHFFFAOYSA-N 2 2 347.484 1.955 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000378062861 158068752 /nfs/dbraw/zinc/06/87/52/158068752.db2.gz VLRMRDHYDGUQNM-HZPDHXFCSA-N 2 2 331.464 1.766 20 0 EDADLP CC[C@]1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000378217377 158113003 /nfs/dbraw/zinc/11/30/03/158113003.db2.gz DLDYHVZATSHPCW-DOXZYTNZSA-N 2 2 346.475 1.701 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CCO2)CC1 ZINC000378350398 158147583 /nfs/dbraw/zinc/14/75/83/158147583.db2.gz NLXOSZSJLCDMAY-QGZVFWFLSA-N 2 2 329.448 1.011 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CCO2)CC1 ZINC000378350398 158147584 /nfs/dbraw/zinc/14/75/84/158147584.db2.gz NLXOSZSJLCDMAY-QGZVFWFLSA-N 2 2 329.448 1.011 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc[nH+]1 ZINC000378353541 158148315 /nfs/dbraw/zinc/14/83/15/158148315.db2.gz GBKUAQLRUDFYRN-XOKHGSTOSA-N 2 2 332.448 1.823 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc[nH+]1 ZINC000378353541 158148317 /nfs/dbraw/zinc/14/83/17/158148317.db2.gz GBKUAQLRUDFYRN-XOKHGSTOSA-N 2 2 332.448 1.823 20 0 EDADLP COCCc1nsc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000378358019 158151063 /nfs/dbraw/zinc/15/10/63/158151063.db2.gz DUZUVKMVVFBWAE-CYBMUJFWSA-N 2 2 339.509 1.332 20 0 EDADLP COCCc1nsc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000378358019 158151064 /nfs/dbraw/zinc/15/10/64/158151064.db2.gz DUZUVKMVVFBWAE-CYBMUJFWSA-N 2 2 339.509 1.332 20 0 EDADLP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)oc1C ZINC000378424333 158170378 /nfs/dbraw/zinc/17/03/78/158170378.db2.gz DTBFDVAZQSWHKQ-MRXNPFEDSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1cc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)oc1C ZINC000378424333 158170379 /nfs/dbraw/zinc/17/03/79/158170379.db2.gz DTBFDVAZQSWHKQ-MRXNPFEDSA-N 2 2 349.475 1.975 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)CCO1 ZINC000378526488 158199873 /nfs/dbraw/zinc/19/98/73/158199873.db2.gz OHTFIKAHDBEJSP-OAHLLOKOSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@@H]1C[N@H+](C2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)CCO1 ZINC000378526488 158199875 /nfs/dbraw/zinc/19/98/75/158199875.db2.gz OHTFIKAHDBEJSP-OAHLLOKOSA-N 2 2 347.463 1.003 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352235793 162066347 /nfs/dbraw/zinc/06/63/47/162066347.db2.gz ZGEZOPUDFBTDOO-CQSZACIVSA-N 2 2 348.495 1.358 20 0 EDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000352370549 162146598 /nfs/dbraw/zinc/14/65/98/162146598.db2.gz LGGLGJPHULVQGI-UHFFFAOYSA-N 2 2 329.404 1.871 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000352495450 162213003 /nfs/dbraw/zinc/21/30/03/162213003.db2.gz LTGABNRRTWNMCV-HUUCEWRRSA-N 2 2 333.432 1.146 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000352495450 162213004 /nfs/dbraw/zinc/21/30/04/162213004.db2.gz LTGABNRRTWNMCV-HUUCEWRRSA-N 2 2 333.432 1.146 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352503329 162216932 /nfs/dbraw/zinc/21/69/32/162216932.db2.gz FERABSAQVSEUIL-MRXNPFEDSA-N 2 2 332.448 1.578 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352503329 162216936 /nfs/dbraw/zinc/21/69/36/162216936.db2.gz FERABSAQVSEUIL-MRXNPFEDSA-N 2 2 332.448 1.578 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352512223 162222099 /nfs/dbraw/zinc/22/20/99/162222099.db2.gz WRRRRFPJXNFVBK-MAUKXSAKSA-N 2 2 348.466 1.152 20 0 EDADLP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352518456 162225960 /nfs/dbraw/zinc/22/59/60/162225960.db2.gz ILIDFOBYUXGOHU-PKOBYXMFSA-N 2 2 344.503 1.022 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000355477063 162272140 /nfs/dbraw/zinc/27/21/40/162272140.db2.gz YVDWCPNULLKWHR-LJQANCHMSA-N 2 2 345.487 1.688 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000355477063 162272144 /nfs/dbraw/zinc/27/21/44/162272144.db2.gz YVDWCPNULLKWHR-LJQANCHMSA-N 2 2 345.487 1.688 20 0 EDADLP COc1cc[nH+]c(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c1OC ZINC000364515922 162334853 /nfs/dbraw/zinc/33/48/53/162334853.db2.gz FDEOCKWUAQKTBS-HUUCEWRRSA-N 2 2 335.448 1.520 20 0 EDADLP COc1cc[nH+]c(CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1OC ZINC000364515922 162334856 /nfs/dbraw/zinc/33/48/56/162334856.db2.gz FDEOCKWUAQKTBS-HUUCEWRRSA-N 2 2 335.448 1.520 20 0 EDADLP C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000269227931 287001819 /nfs/dbraw/zinc/00/18/19/287001819.db2.gz VFDZFXQHRDBEDO-CVEARBPZSA-N 2 2 331.460 1.637 20 0 EDADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCO1 ZINC000051554583 287221296 /nfs/dbraw/zinc/22/12/96/287221296.db2.gz BNXCDZXGSUSTHN-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCO1 ZINC000051554583 287221297 /nfs/dbraw/zinc/22/12/97/287221297.db2.gz BNXCDZXGSUSTHN-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000122159311 287377997 /nfs/dbraw/zinc/37/79/97/287377997.db2.gz ZOQHLTOMHJYTPF-OAHLLOKOSA-N 2 2 337.468 1.191 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418342996 304483250 /nfs/dbraw/zinc/48/32/50/304483250.db2.gz QSALYDCMKSGBPB-KRWDZBQOSA-N 2 2 346.475 1.392 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000163991848 226035658 /nfs/dbraw/zinc/03/56/58/226035658.db2.gz XHQFAALMBQXTNX-GOSISDBHSA-N 2 2 347.459 1.108 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CSC[NH2+]1 ZINC000166933254 226174907 /nfs/dbraw/zinc/17/49/07/226174907.db2.gz FYHADYMBGVLVMP-INIZCTEOSA-N 2 2 335.473 1.492 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000125421435 287406482 /nfs/dbraw/zinc/40/64/82/287406482.db2.gz WBTJHJTWGGXSNB-OAHLLOKOSA-N 2 2 333.480 1.256 20 0 EDADLP CCC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000418464199 304498512 /nfs/dbraw/zinc/49/85/12/304498512.db2.gz ASGNPGVWEALOCN-UHFFFAOYSA-N 2 2 348.491 1.912 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCCC[NH3+] ZINC000418505694 304505363 /nfs/dbraw/zinc/50/53/63/304505363.db2.gz DZNDESVXQPEJDO-KRWDZBQOSA-N 2 2 348.491 1.658 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663787994 452518036 /nfs/dbraw/zinc/51/80/36/452518036.db2.gz NCUMQFFQWLVCHA-HRCADAONSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663787994 452518044 /nfs/dbraw/zinc/51/80/44/452518044.db2.gz NCUMQFFQWLVCHA-HRCADAONSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663787994 452518048 /nfs/dbraw/zinc/51/80/48/452518048.db2.gz NCUMQFFQWLVCHA-HRCADAONSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663787994 452518055 /nfs/dbraw/zinc/51/80/55/452518055.db2.gz NCUMQFFQWLVCHA-HRCADAONSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1ccccc1-n1nccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261749313 273017239 /nfs/dbraw/zinc/01/72/39/273017239.db2.gz CDMXWUHYNBMXHU-UHFFFAOYSA-N 2 2 327.432 1.044 20 0 EDADLP Cc1ccccc1-n1nccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261749313 273017241 /nfs/dbraw/zinc/01/72/41/273017241.db2.gz CDMXWUHYNBMXHU-UHFFFAOYSA-N 2 2 327.432 1.044 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000273033517 273025175 /nfs/dbraw/zinc/02/51/75/273025175.db2.gz DVZJEEOHYJLQDZ-INIZCTEOSA-N 2 2 342.443 1.516 20 0 EDADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000274847970 268221900 /nfs/dbraw/zinc/22/19/00/268221900.db2.gz XISDJEYJMBFTFQ-UHFFFAOYSA-N 2 2 327.226 1.466 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cn[nH]c1 ZINC000275029314 268268316 /nfs/dbraw/zinc/26/83/16/268268316.db2.gz ADIVTVGMVHNXSX-AWEZNQCLSA-N 2 2 328.420 1.194 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000276654813 268456907 /nfs/dbraw/zinc/45/69/07/268456907.db2.gz MFDIEXYEKJNFPE-OAHLLOKOSA-N 2 2 330.436 1.730 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274885432 273098554 /nfs/dbraw/zinc/09/85/54/273098554.db2.gz IICYGJSOVJQSHA-RYQLBKOJSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274885432 273098555 /nfs/dbraw/zinc/09/85/55/273098555.db2.gz IICYGJSOVJQSHA-RYQLBKOJSA-N 2 2 336.501 1.921 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)c(C)n2n1 ZINC000091726964 272917045 /nfs/dbraw/zinc/91/70/45/272917045.db2.gz JSFDWLDVGASOJJ-HIFRSBDPSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H]1C[NH+](CCCCNc2nc3c(cnn3C)c(N)[nH+]2)C[C@H](C)O1 ZINC000276364686 273164019 /nfs/dbraw/zinc/16/40/19/273164019.db2.gz ZQKGZZHPZXVLEF-RYUDHWBXSA-N 2 2 333.440 1.247 20 0 EDADLP COC(=O)CNC(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280322757 273356842 /nfs/dbraw/zinc/35/68/42/273356842.db2.gz YPKNWSXNAQUPEY-UHFFFAOYSA-N 2 2 344.415 1.271 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000280718952 273389953 /nfs/dbraw/zinc/38/99/53/273389953.db2.gz FLMNEIZXIAWQOF-SUMDDJOVSA-N 2 2 328.460 1.677 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)NCc1cn2ccccc2[nH+]1)C(C)C ZINC000284160054 274100651 /nfs/dbraw/zinc/10/06/51/274100651.db2.gz UDNDOZUYRMYFRK-UHFFFAOYSA-N 2 2 345.447 1.186 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284229294 274125156 /nfs/dbraw/zinc/12/51/56/274125156.db2.gz DXLAXYVLASXYID-OAHLLOKOSA-N 2 2 329.448 1.338 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284306310 274154766 /nfs/dbraw/zinc/15/47/66/274154766.db2.gz ZMEAHFULCBIDKS-RTBURBONSA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284306310 274154768 /nfs/dbraw/zinc/15/47/68/274154768.db2.gz ZMEAHFULCBIDKS-RTBURBONSA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284306310 274154771 /nfs/dbraw/zinc/15/47/71/274154771.db2.gz ZMEAHFULCBIDKS-RTBURBONSA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284306310 274154772 /nfs/dbraw/zinc/15/47/72/274154772.db2.gz ZMEAHFULCBIDKS-RTBURBONSA-N 2 2 345.487 1.736 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000378512129 274173157 /nfs/dbraw/zinc/17/31/57/274173157.db2.gz ZBMRRFXPVCZFPO-LSDHHAIUSA-N 2 2 334.445 1.713 20 0 EDADLP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1 ZINC000284694604 274297306 /nfs/dbraw/zinc/29/73/06/274297306.db2.gz SSJFIZOUFMOQLA-URKNILKWSA-N 2 2 342.443 1.969 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284896929 274378049 /nfs/dbraw/zinc/37/80/49/274378049.db2.gz AIXCDMMWZGPUJN-LKCQJKFCSA-N 2 2 342.447 1.698 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000284896929 274378052 /nfs/dbraw/zinc/37/80/52/274378052.db2.gz AIXCDMMWZGPUJN-LKCQJKFCSA-N 2 2 342.447 1.698 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000332961535 276160263 /nfs/dbraw/zinc/16/02/63/276160263.db2.gz SHETVVXZKJBCCE-HOTGVXAUSA-N 2 2 348.495 1.293 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000332961535 276160265 /nfs/dbraw/zinc/16/02/65/276160265.db2.gz SHETVVXZKJBCCE-HOTGVXAUSA-N 2 2 348.495 1.293 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362184970 276313104 /nfs/dbraw/zinc/31/31/04/276313104.db2.gz KGQAKOULIDBJFL-HOTGVXAUSA-N 2 2 340.512 1.164 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000362184970 276313105 /nfs/dbraw/zinc/31/31/05/276313105.db2.gz KGQAKOULIDBJFL-HOTGVXAUSA-N 2 2 340.512 1.164 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000362184970 276313106 /nfs/dbraw/zinc/31/31/06/276313106.db2.gz KGQAKOULIDBJFL-HOTGVXAUSA-N 2 2 340.512 1.164 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000362184970 276313109 /nfs/dbraw/zinc/31/31/09/276313109.db2.gz KGQAKOULIDBJFL-HOTGVXAUSA-N 2 2 340.512 1.164 20 0 EDADLP CC(C)(CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000363315105 277302144 /nfs/dbraw/zinc/30/21/44/277302144.db2.gz QYBRAXMKRDTIHP-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000363315105 277302145 /nfs/dbraw/zinc/30/21/45/277302145.db2.gz QYBRAXMKRDTIHP-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000329192495 277348113 /nfs/dbraw/zinc/34/81/13/277348113.db2.gz QWWGGZZQWOPLTF-PMPSAXMXSA-N 2 2 332.448 1.157 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)c3ccc(OC)cc3)C2)CC1 ZINC000286453794 288009685 /nfs/dbraw/zinc/00/96/85/288009685.db2.gz OGOLUNQMTFZDKM-SFHVURJKSA-N 2 2 345.487 1.980 20 0 EDADLP CC(C)n1ccnc1C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000373518088 278134903 /nfs/dbraw/zinc/13/49/03/278134903.db2.gz XKDABULKWFODQW-IRXDYDNUSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccnc1C[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000373518088 278134904 /nfs/dbraw/zinc/13/49/04/278134904.db2.gz XKDABULKWFODQW-IRXDYDNUSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000373518088 278134906 /nfs/dbraw/zinc/13/49/06/278134906.db2.gz XKDABULKWFODQW-IRXDYDNUSA-N 2 2 347.507 1.886 20 0 EDADLP CCN(CC)C(=O)[C@@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000179007975 279075304 /nfs/dbraw/zinc/07/53/04/279075304.db2.gz CQDQGHJURLNRME-ROUUACIJSA-N 2 2 330.476 1.186 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000286862619 288107357 /nfs/dbraw/zinc/10/73/57/288107357.db2.gz YUECYPMPGXETGL-ZACQAIPSSA-N 2 2 343.475 1.929 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193627079 279234082 /nfs/dbraw/zinc/23/40/82/279234082.db2.gz LVRLWEHWZRBKJP-AIANPOQGSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193627079 279234084 /nfs/dbraw/zinc/23/40/84/279234084.db2.gz LVRLWEHWZRBKJP-AIANPOQGSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193627079 279234085 /nfs/dbraw/zinc/23/40/85/279234085.db2.gz LVRLWEHWZRBKJP-AIANPOQGSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193627079 279234087 /nfs/dbraw/zinc/23/40/87/279234087.db2.gz LVRLWEHWZRBKJP-AIANPOQGSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000287268822 288196245 /nfs/dbraw/zinc/19/62/45/288196245.db2.gz USAPTRUKQOSRNR-XYJFISCASA-N 2 2 348.491 1.698 20 0 EDADLP CC(C)[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000355149235 280177803 /nfs/dbraw/zinc/17/78/03/280177803.db2.gz PVSBLPBXZVTQAA-GVDBMIGSSA-N 2 2 325.497 1.722 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000287505358 288253412 /nfs/dbraw/zinc/25/34/12/288253412.db2.gz UHQSWCXGZGWMQE-HZPDHXFCSA-N 2 2 338.427 1.058 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000287505358 288253413 /nfs/dbraw/zinc/25/34/13/288253413.db2.gz UHQSWCXGZGWMQE-HZPDHXFCSA-N 2 2 338.427 1.058 20 0 EDADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000288605006 288525828 /nfs/dbraw/zinc/52/58/28/288525828.db2.gz PXZLMSLVOXXESP-KSSFIOAISA-N 2 2 339.443 1.840 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000289395216 288690193 /nfs/dbraw/zinc/69/01/93/288690193.db2.gz RMECJOFDBUMOQK-UHFFFAOYSA-N 2 2 333.476 1.995 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2c1 ZINC000289939702 288807761 /nfs/dbraw/zinc/80/77/61/288807761.db2.gz WAZOFDKHSRKBCT-LSDHHAIUSA-N 2 2 344.484 1.944 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000290150393 288848588 /nfs/dbraw/zinc/84/85/88/288848588.db2.gz LFJQAVCXEXHOBM-MJGOQNOKSA-N 2 2 345.487 1.974 20 0 EDADLP CC(C)[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)[NH+]1CCOCC1 ZINC000290800795 288955244 /nfs/dbraw/zinc/95/52/44/288955244.db2.gz VKKNJFOUZQTINQ-OAHLLOKOSA-N 2 2 331.420 1.813 20 0 EDADLP O=C1C[N@H+](Cc2cccc(N[C@@H]3CC[NH+]4CCC[C@@H]4C3)c2)CCN1 ZINC000291190746 289015258 /nfs/dbraw/zinc/01/52/58/289015258.db2.gz LZLZANGSXIOXNT-QZTJIDSGSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[N@@H+](Cc2cccc(N[C@@H]3CC[NH+]4CCC[C@@H]4C3)c2)CCN1 ZINC000291190746 289015261 /nfs/dbraw/zinc/01/52/61/289015261.db2.gz LZLZANGSXIOXNT-QZTJIDSGSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[NH+](Cc2cccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CCN1 ZINC000291190746 289015264 /nfs/dbraw/zinc/01/52/64/289015264.db2.gz LZLZANGSXIOXNT-QZTJIDSGSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[NH+](Cc2cccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CCN1 ZINC000291190746 289015267 /nfs/dbraw/zinc/01/52/67/289015267.db2.gz LZLZANGSXIOXNT-QZTJIDSGSA-N 2 2 328.460 1.657 20 0 EDADLP COCC[C@@H]1COCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000291254955 289026283 /nfs/dbraw/zinc/02/62/83/289026283.db2.gz OFWJOKYSJFMDPQ-HXUWFJFHSA-N 2 2 347.503 1.936 20 0 EDADLP COCC[C@@H]1COCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000291254955 289026285 /nfs/dbraw/zinc/02/62/85/289026285.db2.gz OFWJOKYSJFMDPQ-HXUWFJFHSA-N 2 2 347.503 1.936 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)CCCC2)no1 ZINC000444165849 289226805 /nfs/dbraw/zinc/22/68/05/289226805.db2.gz ZMTHSOQETHVLIP-LRDDRELGSA-N 2 2 333.436 1.016 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)CC2CC[NH+](C)CC2)nc[nH+]1 ZINC000292068711 289253703 /nfs/dbraw/zinc/25/37/03/289253703.db2.gz ZZVGYVSBYJODTH-OAHLLOKOSA-N 2 2 346.479 1.335 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)CC2CC[NH+](C)CC2)[nH+]cn1 ZINC000292068711 289253704 /nfs/dbraw/zinc/25/37/04/289253704.db2.gz ZZVGYVSBYJODTH-OAHLLOKOSA-N 2 2 346.479 1.335 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292225490 289293771 /nfs/dbraw/zinc/29/37/71/289293771.db2.gz VHCNFFJQGTWPFH-BEFAXECRSA-N 2 2 344.459 1.429 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292225490 289293773 /nfs/dbraw/zinc/29/37/73/289293773.db2.gz VHCNFFJQGTWPFH-BEFAXECRSA-N 2 2 344.459 1.429 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292225490 289293774 /nfs/dbraw/zinc/29/37/74/289293774.db2.gz VHCNFFJQGTWPFH-BEFAXECRSA-N 2 2 344.459 1.429 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292225490 289293775 /nfs/dbraw/zinc/29/37/75/289293775.db2.gz VHCNFFJQGTWPFH-BEFAXECRSA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1(CO)CCC1 ZINC000292225393 289293831 /nfs/dbraw/zinc/29/38/31/289293831.db2.gz VGRYFDHCOGNKHI-UHFFFAOYSA-N 2 2 337.489 1.239 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1(CO)CCC1 ZINC000292225393 289293832 /nfs/dbraw/zinc/29/38/32/289293832.db2.gz VGRYFDHCOGNKHI-UHFFFAOYSA-N 2 2 337.489 1.239 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292237987 289296248 /nfs/dbraw/zinc/29/62/48/289296248.db2.gz WLRGTCPIHKFRBI-SCLBCKFNSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292237987 289296249 /nfs/dbraw/zinc/29/62/49/289296249.db2.gz WLRGTCPIHKFRBI-SCLBCKFNSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292237987 289296251 /nfs/dbraw/zinc/29/62/51/289296251.db2.gz WLRGTCPIHKFRBI-SCLBCKFNSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292237987 289296252 /nfs/dbraw/zinc/29/62/52/289296252.db2.gz WLRGTCPIHKFRBI-SCLBCKFNSA-N 2 2 330.432 1.140 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292821941 289446337 /nfs/dbraw/zinc/44/63/37/289446337.db2.gz AYWKFKQOSBFFQG-WMZOPIPTSA-N 2 2 329.444 1.343 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156384924 289616805 /nfs/dbraw/zinc/61/68/05/289616805.db2.gz KLBRIYRIIIXFSM-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C2)C1 ZINC000356285130 290003598 /nfs/dbraw/zinc/00/35/98/290003598.db2.gz VHUADVPNACDYPE-MJGOQNOKSA-N 2 2 335.492 1.432 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C2)C1 ZINC000356285130 290003603 /nfs/dbraw/zinc/00/36/03/290003603.db2.gz VHUADVPNACDYPE-MJGOQNOKSA-N 2 2 335.492 1.432 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C2)C1 ZINC000356285130 290003605 /nfs/dbraw/zinc/00/36/05/290003605.db2.gz VHUADVPNACDYPE-MJGOQNOKSA-N 2 2 335.492 1.432 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C2)C1 ZINC000356285130 290003607 /nfs/dbraw/zinc/00/36/07/290003607.db2.gz VHUADVPNACDYPE-MJGOQNOKSA-N 2 2 335.492 1.432 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000105292996 290203899 /nfs/dbraw/zinc/20/38/99/290203899.db2.gz AWIYCNPTIRITHF-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000105292996 290203901 /nfs/dbraw/zinc/20/39/01/290203901.db2.gz AWIYCNPTIRITHF-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000354846479 294409431 /nfs/dbraw/zinc/40/94/31/294409431.db2.gz BFJXVVZXKGLDTL-CVEARBPZSA-N 2 2 345.422 1.221 20 0 EDADLP CC[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000422013356 447307421 /nfs/dbraw/zinc/30/74/21/447307421.db2.gz XHJAGZDMYPQNQF-GQGLESIBSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000422013356 447307425 /nfs/dbraw/zinc/30/74/25/447307425.db2.gz XHJAGZDMYPQNQF-GQGLESIBSA-N 2 2 325.497 1.865 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)CC2)CC1 ZINC000422014084 447308564 /nfs/dbraw/zinc/30/85/64/447308564.db2.gz FZSGKUMULGUBBO-CGTJXYLNSA-N 2 2 347.503 1.620 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)CC2)CC1 ZINC000422014084 447308567 /nfs/dbraw/zinc/30/85/67/447308567.db2.gz FZSGKUMULGUBBO-CGTJXYLNSA-N 2 2 347.503 1.620 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1Cc1cccc(C[NH+]2CCN(C)C[C@@H]2C)c1 ZINC000343727093 300213631 /nfs/dbraw/zinc/21/36/31/300213631.db2.gz XKXAJWTYFLSYIQ-ROUUACIJSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1Cc1cccc(C[NH+]2CCN(C)C[C@@H]2C)c1 ZINC000343727093 300213633 /nfs/dbraw/zinc/21/36/33/300213633.db2.gz XKXAJWTYFLSYIQ-ROUUACIJSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@H]1C[NH+](C)CCN1Cc1cccc(C[N@@H+]2CCN(C)C[C@@H]2C)c1 ZINC000343727093 300213634 /nfs/dbraw/zinc/21/36/34/300213634.db2.gz XKXAJWTYFLSYIQ-ROUUACIJSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@H]1C[NH+](C)CCN1Cc1cccc(C[N@H+]2CCN(C)C[C@@H]2C)c1 ZINC000343727093 300213636 /nfs/dbraw/zinc/21/36/36/300213636.db2.gz XKXAJWTYFLSYIQ-ROUUACIJSA-N 2 2 330.520 1.958 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)n1C ZINC000419716452 304669720 /nfs/dbraw/zinc/66/97/20/304669720.db2.gz YDERDZWYJSYCIV-PMPSAXMXSA-N 2 2 346.479 1.970 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)CC1 ZINC000422026512 447313685 /nfs/dbraw/zinc/31/36/85/447313685.db2.gz UWRJITITXYSABJ-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)CC1 ZINC000422026512 447313689 /nfs/dbraw/zinc/31/36/89/447313689.db2.gz UWRJITITXYSABJ-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCSC3)CC2)CC1 ZINC000422025559 447314242 /nfs/dbraw/zinc/31/42/42/447314242.db2.gz SISWIEBYADPXAX-HNNXBMFYSA-N 2 2 325.522 1.758 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCSC3)CC2)CC1 ZINC000422025559 447314246 /nfs/dbraw/zinc/31/42/46/447314246.db2.gz SISWIEBYADPXAX-HNNXBMFYSA-N 2 2 325.522 1.758 20 0 EDADLP CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653067475 453246133 /nfs/dbraw/zinc/24/61/33/453246133.db2.gz ATMMRKQMRFRXGX-ZDUSSCGKSA-N 2 2 333.354 1.823 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCn3cccn3)CC2)CC1 ZINC000422028141 447316637 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ZINC000295840662 303274155 /nfs/dbraw/zinc/27/41/55/303274155.db2.gz ZNYPOOHIVBTTDX-QGZVFWFLSA-N 2 2 335.448 1.160 20 0 EDADLP CC[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000295840662 303274157 /nfs/dbraw/zinc/27/41/57/303274157.db2.gz ZNYPOOHIVBTTDX-QGZVFWFLSA-N 2 2 335.448 1.160 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000296349965 303312500 /nfs/dbraw/zinc/31/25/00/303312500.db2.gz ZOGARSMHWUOYDK-AWEZNQCLSA-N 2 2 343.431 1.524 20 0 EDADLP CC(C)[C@@](C)([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000297305627 303383290 /nfs/dbraw/zinc/38/32/90/303383290.db2.gz BHTIMYQJACXQNB-PKOBYXMFSA-N 2 2 333.476 1.767 20 0 EDADLP CC(C)[C@@](C)([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000297305627 303383292 /nfs/dbraw/zinc/38/32/92/303383292.db2.gz BHTIMYQJACXQNB-PKOBYXMFSA-N 2 2 333.476 1.767 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000299713591 303653466 /nfs/dbraw/zinc/65/34/66/303653466.db2.gz QWGAVLIEOXBCCQ-CQSZACIVSA-N 2 2 338.371 1.161 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(c3nc(C(C)C)[nH+]c(N(C)C)n3)C2)CC1 ZINC000302005543 303707315 /nfs/dbraw/zinc/70/73/15/303707315.db2.gz STHYOJOIPLRABZ-OAHLLOKOSA-N 2 2 347.511 1.277 20 0 EDADLP COC[C@@H](O)C[NH+]1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000302103972 303712608 /nfs/dbraw/zinc/71/26/08/303712608.db2.gz RCWXGUNWJPMHFB-HNNXBMFYSA-N 2 2 334.464 1.547 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000493524553 447341299 /nfs/dbraw/zinc/34/12/99/447341299.db2.gz NTRURKQVIJWKKS-IEXSPKMKSA-N 2 2 340.427 1.411 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000493524553 447341303 /nfs/dbraw/zinc/34/13/03/447341303.db2.gz NTRURKQVIJWKKS-IEXSPKMKSA-N 2 2 340.427 1.411 20 0 EDADLP C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422941738 304880876 /nfs/dbraw/zinc/88/08/76/304880876.db2.gz VQTVHYHCGNGXOZ-GOEBONIOSA-N 2 2 325.478 1.226 20 0 EDADLP COC(=O)COc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422983675 304881971 /nfs/dbraw/zinc/88/19/71/304881971.db2.gz UMOOGOIBCMQHLE-WMZOPIPTSA-N 2 2 334.416 1.095 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC000423338493 304893415 /nfs/dbraw/zinc/89/34/15/304893415.db2.gz RUEKJUVRDDUEOY-IJEWVQPXSA-N 2 2 332.448 1.311 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423924238 304917478 /nfs/dbraw/zinc/91/74/78/304917478.db2.gz DFEAQHMJKSWZKD-RBSFLKMASA-N 2 2 332.448 1.645 20 0 EDADLP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423934742 304919518 /nfs/dbraw/zinc/91/95/18/304919518.db2.gz ZQOFFWYXSMVQCL-CVEARBPZSA-N 2 2 344.459 1.661 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCCOc1cccc(Cl)c1 ZINC000428030788 305004374 /nfs/dbraw/zinc/00/43/74/305004374.db2.gz IXWTUQAMSGDNEI-BBRMVZONSA-N 2 2 337.851 1.519 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCCOc1cccc(Cl)c1 ZINC000428030788 305004375 /nfs/dbraw/zinc/00/43/75/305004375.db2.gz IXWTUQAMSGDNEI-BBRMVZONSA-N 2 2 337.851 1.519 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428054846 305005934 /nfs/dbraw/zinc/00/59/34/305005934.db2.gz PFVWUMAZHRNBLZ-GRDNDAEWSA-N 2 2 347.459 1.565 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428054846 305005935 /nfs/dbraw/zinc/00/59/35/305005935.db2.gz PFVWUMAZHRNBLZ-GRDNDAEWSA-N 2 2 347.459 1.565 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CCO1 ZINC000428067774 305006727 /nfs/dbraw/zinc/00/67/27/305006727.db2.gz VUYJIIYKXUIARR-MRXNPFEDSA-N 2 2 349.475 1.468 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CCO1 ZINC000428067774 305006728 /nfs/dbraw/zinc/00/67/28/305006728.db2.gz VUYJIIYKXUIARR-MRXNPFEDSA-N 2 2 349.475 1.468 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@H]3CCOc4ccccc43)C2)C1 ZINC000429013891 305022658 /nfs/dbraw/zinc/02/26/58/305022658.db2.gz XKGSLOIUUIWELB-QFBILLFUSA-N 2 2 329.444 1.654 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@H]3CCOc4ccccc43)C2)C1 ZINC000429013891 305022659 /nfs/dbraw/zinc/02/26/59/305022659.db2.gz XKGSLOIUUIWELB-QFBILLFUSA-N 2 2 329.444 1.654 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)C1 ZINC000429013891 305022660 /nfs/dbraw/zinc/02/26/60/305022660.db2.gz XKGSLOIUUIWELB-QFBILLFUSA-N 2 2 329.444 1.654 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)C1 ZINC000429013891 305022661 /nfs/dbraw/zinc/02/26/61/305022661.db2.gz XKGSLOIUUIWELB-QFBILLFUSA-N 2 2 329.444 1.654 20 0 EDADLP O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccccc1C[NH+]1CCOCC1 ZINC000429222601 305025792 /nfs/dbraw/zinc/02/57/92/305025792.db2.gz VVWWYUVGSVMWMG-INIZCTEOSA-N 2 2 331.460 1.638 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CC(F)(F)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000429225832 305025919 /nfs/dbraw/zinc/02/59/19/305025919.db2.gz HYUQOBXQQJLFSH-GFCCVEGCSA-N 2 2 330.423 1.594 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CC(F)(F)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000429225832 305025920 /nfs/dbraw/zinc/02/59/20/305025920.db2.gz HYUQOBXQQJLFSH-GFCCVEGCSA-N 2 2 330.423 1.594 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000429797304 305037225 /nfs/dbraw/zinc/03/72/25/305037225.db2.gz VBIWBJGIQOORCJ-UHFFFAOYSA-N 2 2 335.448 1.475 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000430569405 305056090 /nfs/dbraw/zinc/05/60/90/305056090.db2.gz FFUWVFDLXWUZSK-CYBMUJFWSA-N 2 2 337.464 1.798 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000430569405 305056091 /nfs/dbraw/zinc/05/60/91/305056091.db2.gz FFUWVFDLXWUZSK-CYBMUJFWSA-N 2 2 337.464 1.798 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000430575026 305056761 /nfs/dbraw/zinc/05/67/61/305056761.db2.gz UMCGKHIFZQTIFV-ZNMIVQPWSA-N 2 2 326.485 1.696 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000430575026 305056762 /nfs/dbraw/zinc/05/67/62/305056762.db2.gz UMCGKHIFZQTIFV-ZNMIVQPWSA-N 2 2 326.485 1.696 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000430581380 305056974 /nfs/dbraw/zinc/05/69/74/305056974.db2.gz OHEMYZDSBNFXAY-GOSISDBHSA-N 2 2 332.448 1.715 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604327 305058270 /nfs/dbraw/zinc/05/82/70/305058270.db2.gz MTQWOTPEKMMRDQ-ILXRZTDVSA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604327 305058271 /nfs/dbraw/zinc/05/82/71/305058271.db2.gz MTQWOTPEKMMRDQ-ILXRZTDVSA-N 2 2 333.432 1.002 20 0 EDADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000430607014 305058390 /nfs/dbraw/zinc/05/83/90/305058390.db2.gz YEKMRHUZDUGXNN-GFCCVEGCSA-N 2 2 337.420 1.335 20 0 EDADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000430607014 305058391 /nfs/dbraw/zinc/05/83/91/305058391.db2.gz YEKMRHUZDUGXNN-GFCCVEGCSA-N 2 2 337.420 1.335 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000430630328 305060145 /nfs/dbraw/zinc/06/01/45/305060145.db2.gz YGBNRPAMPOSPEX-KBXCAEBGSA-N 2 2 347.459 1.741 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000430630328 305060146 /nfs/dbraw/zinc/06/01/46/305060146.db2.gz YGBNRPAMPOSPEX-KBXCAEBGSA-N 2 2 347.459 1.741 20 0 EDADLP O=C(COC1C[NH2+]C1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000430730998 305063479 /nfs/dbraw/zinc/06/34/79/305063479.db2.gz UOFXGUSLVNVGOY-GFCCVEGCSA-N 2 2 339.386 1.034 20 0 EDADLP O=C(COC1C[NH2+]C1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000430730998 305063480 /nfs/dbraw/zinc/06/34/80/305063480.db2.gz UOFXGUSLVNVGOY-GFCCVEGCSA-N 2 2 339.386 1.034 20 0 EDADLP FC1(F)CC[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000430764440 305064382 /nfs/dbraw/zinc/06/43/82/305064382.db2.gz RZHKBULGQXNFSL-HNNXBMFYSA-N 2 2 331.451 1.808 20 0 EDADLP FC1(F)CC[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000430764440 305064383 /nfs/dbraw/zinc/06/43/83/305064383.db2.gz RZHKBULGQXNFSL-HNNXBMFYSA-N 2 2 331.451 1.808 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000430835618 305065594 /nfs/dbraw/zinc/06/55/94/305065594.db2.gz GVTRRUIAXQVDNL-QZTJIDSGSA-N 2 2 331.460 1.627 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1F ZINC000430836073 305065599 /nfs/dbraw/zinc/06/55/99/305065599.db2.gz FXQHTCGJQUYSRY-LRDDRELGSA-N 2 2 332.379 1.143 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000430894865 305067224 /nfs/dbraw/zinc/06/72/24/305067224.db2.gz PXFUATYORNNJJA-LBPRGKRZSA-N 2 2 326.322 1.632 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000430913180 305067635 /nfs/dbraw/zinc/06/76/35/305067635.db2.gz SHGIHSHCVXGQHU-MAUKXSAKSA-N 2 2 347.459 1.279 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430934932 305069170 /nfs/dbraw/zinc/06/91/70/305069170.db2.gz OHFXRGSZUWTFCC-HRCADAONSA-N 2 2 346.475 1.416 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430934932 305069171 /nfs/dbraw/zinc/06/91/71/305069171.db2.gz OHFXRGSZUWTFCC-HRCADAONSA-N 2 2 346.475 1.416 20 0 EDADLP C[NH2+]C1CC[NH+](CC(=O)N2CCN(c3cccc(C)c3)CC2)CC1 ZINC000430937103 305069211 /nfs/dbraw/zinc/06/92/11/305069211.db2.gz ZEFKSCQVJBNXLN-UHFFFAOYSA-N 2 2 330.476 1.327 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCC(=O)c1ccccc1 ZINC000435036994 305135027 /nfs/dbraw/zinc/13/50/27/305135027.db2.gz VWBSPUZGJMRAAF-KRWDZBQOSA-N 2 2 340.427 1.655 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCC(=O)c1ccccc1 ZINC000435036994 305135028 /nfs/dbraw/zinc/13/50/28/305135028.db2.gz VWBSPUZGJMRAAF-KRWDZBQOSA-N 2 2 340.427 1.655 20 0 EDADLP O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000435238292 305137616 /nfs/dbraw/zinc/13/76/16/305137616.db2.gz QFDHQUJJDQMTQY-MRXNPFEDSA-N 2 2 348.516 1.219 20 0 EDADLP Cc1nc(C)c(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000435575656 305142834 /nfs/dbraw/zinc/14/28/34/305142834.db2.gz ROLROAASUITGCP-CQSZACIVSA-N 2 2 343.431 1.809 20 0 EDADLP CC[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435621863 305143643 /nfs/dbraw/zinc/14/36/43/305143643.db2.gz AVGHRTFKZFIMCY-HNNXBMFYSA-N 2 2 340.489 1.933 20 0 EDADLP CC[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435621863 305143644 /nfs/dbraw/zinc/14/36/44/305143644.db2.gz AVGHRTFKZFIMCY-HNNXBMFYSA-N 2 2 340.489 1.933 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)NCC(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000435694969 305145516 /nfs/dbraw/zinc/14/55/16/305145516.db2.gz MULYEJWSLTZNQT-INIZCTEOSA-N 2 2 347.507 1.619 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccoc2)no1 ZINC000436057506 305151727 /nfs/dbraw/zinc/15/17/27/305151727.db2.gz GSJPTEMEHQXDBF-CYBMUJFWSA-N 2 2 333.392 1.149 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccoc2)no1 ZINC000436057506 305151728 /nfs/dbraw/zinc/15/17/28/305151728.db2.gz GSJPTEMEHQXDBF-CYBMUJFWSA-N 2 2 333.392 1.149 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000438961132 305191907 /nfs/dbraw/zinc/19/19/07/305191907.db2.gz PDCUIFRLRYSUIX-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000438961132 305191908 /nfs/dbraw/zinc/19/19/08/305191908.db2.gz PDCUIFRLRYSUIX-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000439838230 305202445 /nfs/dbraw/zinc/20/24/45/305202445.db2.gz RTEFTYPDVSEZSA-KRWDZBQOSA-N 2 2 336.480 1.949 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000442850001 305230097 /nfs/dbraw/zinc/23/00/97/305230097.db2.gz OTCYTNXTCYFSLY-SUMWQHHRSA-N 2 2 327.469 1.249 20 0 EDADLP C[N@@H+]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C(C)(C)C1 ZINC000443038220 305233617 /nfs/dbraw/zinc/23/36/17/305233617.db2.gz DTPYDTBCFMBLFD-UHFFFAOYSA-N 2 2 348.472 1.646 20 0 EDADLP C[N@H+]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C(C)(C)C1 ZINC000443038220 305233618 /nfs/dbraw/zinc/23/36/18/305233618.db2.gz DTPYDTBCFMBLFD-UHFFFAOYSA-N 2 2 348.472 1.646 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000446278474 305262455 /nfs/dbraw/zinc/26/24/55/305262455.db2.gz SWSBABYMZDIJFA-RKVPGOIHSA-N 2 2 332.448 1.579 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447657548 305283837 /nfs/dbraw/zinc/28/38/37/305283837.db2.gz TXVKORBDHFNMBN-HNNXBMFYSA-N 2 2 331.526 1.241 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)cn1 ZINC000448241266 305294259 /nfs/dbraw/zinc/29/42/59/305294259.db2.gz NPSMUANLGUJWSN-QGZVFWFLSA-N 2 2 327.432 1.154 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)nn1 ZINC000449106237 305306647 /nfs/dbraw/zinc/30/66/47/305306647.db2.gz LGWLSCPPSYVEFL-UHFFFAOYSA-N 2 2 335.452 1.195 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451218723 305334331 /nfs/dbraw/zinc/33/43/31/305334331.db2.gz BRFVIOUKWRIUJN-LMCOJAPRSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451218723 305334332 /nfs/dbraw/zinc/33/43/32/305334332.db2.gz BRFVIOUKWRIUJN-LMCOJAPRSA-N 2 2 329.488 1.960 20 0 EDADLP CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000451490508 305349291 /nfs/dbraw/zinc/34/92/91/305349291.db2.gz IDFQWMCXTSQWMF-ARFHVFGLSA-N 2 2 346.475 1.522 20 0 EDADLP CO[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000451549178 305352884 /nfs/dbraw/zinc/35/28/84/305352884.db2.gz SNIAVVXYGPUWDW-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP CO[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000451549178 305352885 /nfs/dbraw/zinc/35/28/85/305352885.db2.gz SNIAVVXYGPUWDW-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP O=C(C[N@@H+]1CCOCC12CCCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000451812468 305370639 /nfs/dbraw/zinc/37/06/39/305370639.db2.gz HCASAVXCTPWTAC-UHFFFAOYSA-N 2 2 335.492 1.765 20 0 EDADLP O=C(C[N@H+]1CCOCC12CCCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000451812468 305370640 /nfs/dbraw/zinc/37/06/40/305370640.db2.gz HCASAVXCTPWTAC-UHFFFAOYSA-N 2 2 335.492 1.765 20 0 EDADLP C[C@H]1C[C@@H](O)C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000452103677 305382817 /nfs/dbraw/zinc/38/28/17/305382817.db2.gz WFOWCZKMNPEKIR-MAUKXSAKSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000452103677 305382818 /nfs/dbraw/zinc/38/28/18/305382818.db2.gz WFOWCZKMNPEKIR-MAUKXSAKSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000453083482 305405142 /nfs/dbraw/zinc/40/51/42/305405142.db2.gz IDNBTRCANQSXFG-QGZVFWFLSA-N 3 2 340.475 1.605 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000660713151 453541054 /nfs/dbraw/zinc/54/10/54/453541054.db2.gz NKXPGLJAWALTAI-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000660713151 453541057 /nfs/dbraw/zinc/54/10/57/453541057.db2.gz NKXPGLJAWALTAI-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000660713151 453541063 /nfs/dbraw/zinc/54/10/63/453541063.db2.gz NKXPGLJAWALTAI-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000660713151 453541068 /nfs/dbraw/zinc/54/10/68/453541068.db2.gz NKXPGLJAWALTAI-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000517137971 305748492 /nfs/dbraw/zinc/74/84/92/305748492.db2.gz ROIUSNNMEFMCAF-HNNXBMFYSA-N 2 2 333.779 1.162 20 0 EDADLP COc1cccc2c1CN(C[NH+]1CCC(OCC[NH+](C)C)CC1)C2=O ZINC000530099426 305931584 /nfs/dbraw/zinc/93/15/84/305931584.db2.gz UNMPQHMXBBEAES-UHFFFAOYSA-N 2 2 347.459 1.651 20 0 EDADLP COC[C@@]1(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)OCCc2ccccc21 ZINC000419713959 447367191 /nfs/dbraw/zinc/36/71/91/447367191.db2.gz WZNKEGVXNWCAPN-LJQANCHMSA-N 2 2 344.459 1.690 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000536067052 306019423 /nfs/dbraw/zinc/01/94/23/306019423.db2.gz KZBVSEWPQQXAQS-HNNXBMFYSA-N 2 2 328.416 1.534 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000536067052 306019424 /nfs/dbraw/zinc/01/94/24/306019424.db2.gz KZBVSEWPQQXAQS-HNNXBMFYSA-N 2 2 328.416 1.534 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC3=CC[N@H+](C)CC3)ccc2n1C ZINC000540566331 306040119 /nfs/dbraw/zinc/04/01/19/306040119.db2.gz HJJYQTUBKWXISK-UHFFFAOYSA-N 2 2 341.415 1.198 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC3=CC[N@@H+](C)CC3)ccc2n1C ZINC000540566331 306040120 /nfs/dbraw/zinc/04/01/20/306040120.db2.gz HJJYQTUBKWXISK-UHFFFAOYSA-N 2 2 341.415 1.198 20 0 EDADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542157544 306051729 /nfs/dbraw/zinc/05/17/29/306051729.db2.gz BYUPHOJMUHTHKC-HOCLYGCPSA-N 2 2 327.432 1.965 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000543106174 306060656 /nfs/dbraw/zinc/06/06/56/306060656.db2.gz MFPMABMJRMPDRA-HOTGVXAUSA-N 2 2 331.464 1.704 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000543106174 306060657 /nfs/dbraw/zinc/06/06/57/306060657.db2.gz MFPMABMJRMPDRA-HOTGVXAUSA-N 2 2 331.464 1.704 20 0 EDADLP CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000543635960 306066046 /nfs/dbraw/zinc/06/60/46/306066046.db2.gz PUBZJYDEJPGEAO-UHFFFAOYSA-N 2 2 336.461 1.486 20 0 EDADLP CCN1CCN(C(=O)NCCCCn2cc[nH+]c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000547686117 306107945 /nfs/dbraw/zinc/10/79/45/306107945.db2.gz SFHMFQZRKGDIKS-OAHLLOKOSA-N 2 2 345.451 1.475 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548978481 306143015 /nfs/dbraw/zinc/14/30/15/306143015.db2.gz MEBDSNVENZIKNX-GXFFZTMASA-N 2 2 349.859 1.297 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548978481 306143016 /nfs/dbraw/zinc/14/30/16/306143016.db2.gz MEBDSNVENZIKNX-GXFFZTMASA-N 2 2 349.859 1.297 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCCC1 ZINC000553049716 306182213 /nfs/dbraw/zinc/18/22/13/306182213.db2.gz IAKOVTBBMFRORK-UHFFFAOYSA-N 2 2 329.404 1.263 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660827017 453590124 /nfs/dbraw/zinc/59/01/24/453590124.db2.gz GDWQNPYGPZWBRC-HOTGVXAUSA-N 2 2 326.485 1.079 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc(Cl)c1OCC(N)=O ZINC000414955957 447373008 /nfs/dbraw/zinc/37/30/08/447373008.db2.gz PDDGFLVAVMORHH-MFKMUULPSA-N 2 2 341.839 1.443 20 0 EDADLP CN1CC[NH2+]C[C@H]1CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414966837 447376660 /nfs/dbraw/zinc/37/66/60/447376660.db2.gz ANILWLAAZUPFFF-KRWDZBQOSA-N 2 2 336.911 1.798 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414966837 447376669 /nfs/dbraw/zinc/37/66/69/447376669.db2.gz ANILWLAAZUPFFF-KRWDZBQOSA-N 2 2 336.911 1.798 20 0 EDADLP COC[C@]1(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CCC[NH2+]1 ZINC000414963804 447375480 /nfs/dbraw/zinc/37/54/80/447375480.db2.gz XSXASEDVBFNAGH-GOSISDBHSA-N 2 2 329.448 1.742 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000419738830 447383992 /nfs/dbraw/zinc/38/39/92/447383992.db2.gz YVZLTBLUWPMZHH-KRWDZBQOSA-N 2 2 331.464 1.887 20 0 EDADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000665298022 453640748 /nfs/dbraw/zinc/64/07/48/453640748.db2.gz QKIZWTLZLSIDIT-GXFFZTMASA-N 2 2 333.885 1.897 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657090347 453672542 /nfs/dbraw/zinc/67/25/42/453672542.db2.gz CDPDFHUHCFQCFF-UHFFFAOYSA-N 2 2 331.457 1.296 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657090347 453672544 /nfs/dbraw/zinc/67/25/44/453672544.db2.gz CDPDFHUHCFQCFF-UHFFFAOYSA-N 2 2 331.457 1.296 20 0 EDADLP CO[C@H]1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C12CCC2 ZINC000458577387 447419096 /nfs/dbraw/zinc/41/90/96/447419096.db2.gz DGXYBYMSQXITLA-HOTGVXAUSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000426352944 447422432 /nfs/dbraw/zinc/42/24/32/447422432.db2.gz SDDLQBMJSXVJPK-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP COCC[NH+]1CCN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000057227193 441100249 /nfs/dbraw/zinc/10/02/49/441100249.db2.gz XXGDJQRKNRXXLT-UHFFFAOYSA-N 2 2 331.420 1.116 20 0 EDADLP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000105075432 441230626 /nfs/dbraw/zinc/23/06/26/441230626.db2.gz WDPOOQDNCHBTBK-CVEARBPZSA-N 2 2 328.501 1.514 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000105091047 441232467 /nfs/dbraw/zinc/23/24/67/441232467.db2.gz VAJAYYZXAYQJRO-UHFFFAOYSA-N 2 2 348.491 1.482 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000105091047 441232471 /nfs/dbraw/zinc/23/24/71/441232471.db2.gz VAJAYYZXAYQJRO-UHFFFAOYSA-N 2 2 348.491 1.482 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000105115047 441235314 /nfs/dbraw/zinc/23/53/14/441235314.db2.gz IWXOWBCAHDPLSC-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)[C@H](C)[NH+]1CCOCC1 ZINC000105142796 441237488 /nfs/dbraw/zinc/23/74/88/441237488.db2.gz PXNAGOILEGNIOU-CABCVRRESA-N 2 2 335.452 1.292 20 0 EDADLP O=S(=O)(NCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961756 441211922 /nfs/dbraw/zinc/21/19/22/441211922.db2.gz VOJAHSNEMRJNCF-AWEZNQCLSA-N 2 2 334.445 1.568 20 0 EDADLP O=S(=O)(NCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000080961756 441211925 /nfs/dbraw/zinc/21/19/25/441211925.db2.gz VOJAHSNEMRJNCF-AWEZNQCLSA-N 2 2 334.445 1.568 20 0 EDADLP Cn1cc(CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000080969095 441214404 /nfs/dbraw/zinc/21/44/04/441214404.db2.gz MOACTTUZPLUZCF-UHFFFAOYSA-N 2 2 327.476 1.997 20 0 EDADLP Cn1cc(CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000080969095 441214410 /nfs/dbraw/zinc/21/44/10/441214410.db2.gz MOACTTUZPLUZCF-UHFFFAOYSA-N 2 2 327.476 1.997 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000105193318 441241983 /nfs/dbraw/zinc/24/19/83/441241983.db2.gz LBRSJYMLNQNJSB-UHFFFAOYSA-N 2 2 349.479 1.684 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000104961254 441224672 /nfs/dbraw/zinc/22/46/72/441224672.db2.gz PEENRUXNAHKSQC-FUHWJXTLSA-N 2 2 331.460 1.349 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000104963969 441225302 /nfs/dbraw/zinc/22/53/02/441225302.db2.gz UYACJGYSNJRKFI-HNNXBMFYSA-N 2 2 332.448 1.613 20 0 EDADLP C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105245237 441244947 /nfs/dbraw/zinc/24/49/47/441244947.db2.gz ONKYGJJXBRBZDB-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCO1 ZINC000062361570 441301599 /nfs/dbraw/zinc/30/15/99/441301599.db2.gz KVYZXJJFFFYCJN-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CCCO1 ZINC000062361570 441301601 /nfs/dbraw/zinc/30/16/01/441301601.db2.gz KVYZXJJFFFYCJN-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP C[C@@H](CNC(=O)C1([NH+](C)C)Cc2ccccc2C1)Cn1cc[nH+]c1 ZINC000081799982 441315842 /nfs/dbraw/zinc/31/58/42/441315842.db2.gz NWEHMUIICYWSJW-HNNXBMFYSA-N 2 2 326.444 1.735 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1C ZINC000083738886 441372795 /nfs/dbraw/zinc/37/27/95/441372795.db2.gz DQZWMKRSQQWOCT-GFCCVEGCSA-N 2 2 331.424 1.298 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)c3c(F)cccc3F)C2)CC1 ZINC000107370936 441414545 /nfs/dbraw/zinc/41/45/45/441414545.db2.gz XRQKJVQRKHYQLY-YOEHRIQHSA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)c3c(F)cccc3F)C2)CC1 ZINC000107370936 441414547 /nfs/dbraw/zinc/41/45/47/441414547.db2.gz XRQKJVQRKHYQLY-YOEHRIQHSA-N 2 2 339.430 1.710 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[NH+]1CCCCCC1 ZINC000074187310 441405118 /nfs/dbraw/zinc/40/51/18/441405118.db2.gz JFRWFWSTFZTILC-KRWDZBQOSA-N 2 2 330.476 1.990 20 0 EDADLP C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000108555990 441463347 /nfs/dbraw/zinc/46/33/47/441463347.db2.gz ZDQDVEGULTVVBJ-HNNXBMFYSA-N 2 2 331.464 1.691 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000108555990 441463351 /nfs/dbraw/zinc/46/33/51/441463351.db2.gz ZDQDVEGULTVVBJ-HNNXBMFYSA-N 2 2 331.464 1.691 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000052591586 441463533 /nfs/dbraw/zinc/46/35/33/441463533.db2.gz QCVIQFIGVUSCIB-QGZVFWFLSA-N 2 2 346.475 1.487 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000052591586 441463537 /nfs/dbraw/zinc/46/35/37/441463537.db2.gz QCVIQFIGVUSCIB-QGZVFWFLSA-N 2 2 346.475 1.487 20 0 EDADLP C[C@H]1CC[C@@H](CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000075199999 441508417 /nfs/dbraw/zinc/50/84/17/441508417.db2.gz HYALODJTVCNGBY-RDJZCZTQSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@H]1CC[C@@H](CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000075199999 441508420 /nfs/dbraw/zinc/50/84/20/441508420.db2.gz HYALODJTVCNGBY-RDJZCZTQSA-N 2 2 325.497 1.819 20 0 EDADLP CCC1(O)CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000075859203 441560354 /nfs/dbraw/zinc/56/03/54/441560354.db2.gz HWSYGSFNMJZLFR-UHFFFAOYSA-N 2 2 346.475 1.357 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC(=O)N(C)CC2CC2)CC1 ZINC000113501533 441610508 /nfs/dbraw/zinc/61/05/08/441610508.db2.gz HWDMGNPWZXLXLG-CALCHBBNSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC(=O)N(C)CC2CC2)CC1 ZINC000113501533 441610513 /nfs/dbraw/zinc/61/05/13/441610513.db2.gz HWDMGNPWZXLXLG-CALCHBBNSA-N 2 2 336.524 1.345 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000113247348 441591950 /nfs/dbraw/zinc/59/19/50/441591950.db2.gz MTEODLZCIUUVCL-HNNXBMFYSA-N 2 2 333.480 1.652 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000113247348 441591954 /nfs/dbraw/zinc/59/19/54/441591954.db2.gz MTEODLZCIUUVCL-HNNXBMFYSA-N 2 2 333.480 1.652 20 0 EDADLP COc1ccc2c(c1)C[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)CC2 ZINC000066962020 441595537 /nfs/dbraw/zinc/59/55/37/441595537.db2.gz LJGNTWNPGIIALQ-UHFFFAOYSA-N 2 2 343.471 1.796 20 0 EDADLP COc1ccc2c(c1)C[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)CC2 ZINC000066962020 441595542 /nfs/dbraw/zinc/59/55/42/441595542.db2.gz LJGNTWNPGIIALQ-UHFFFAOYSA-N 2 2 343.471 1.796 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000173336480 441717854 /nfs/dbraw/zinc/71/78/54/441717854.db2.gz KEQDAJFYBKCDLZ-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C2 ZINC000091315119 441694879 /nfs/dbraw/zinc/69/48/79/441694879.db2.gz BGSSQSJROZCTEC-OCCSQVGLSA-N 2 2 334.445 1.505 20 0 EDADLP c1cn(-c2cc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)ncn2)c[nH+]1 ZINC000077225786 441737377 /nfs/dbraw/zinc/73/73/77/441737377.db2.gz NINAOESJKIMRNQ-AWEZNQCLSA-N 2 2 328.420 1.575 20 0 EDADLP Cc1nnc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000056500463 441719538 /nfs/dbraw/zinc/71/95/38/441719538.db2.gz DCRQVULANBLPIC-UHFFFAOYSA-N 2 2 326.470 1.336 20 0 EDADLP Cc1nnc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000056500463 441719542 /nfs/dbraw/zinc/71/95/42/441719542.db2.gz DCRQVULANBLPIC-UHFFFAOYSA-N 2 2 326.470 1.336 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1N1CCCC1 ZINC000121517301 441722482 /nfs/dbraw/zinc/72/24/82/441722482.db2.gz FJVKOETWIRBOAB-UHFFFAOYSA-N 2 2 330.476 1.493 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1N1CCCC1 ZINC000121517301 441722488 /nfs/dbraw/zinc/72/24/88/441722488.db2.gz FJVKOETWIRBOAB-UHFFFAOYSA-N 2 2 330.476 1.493 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000136843693 441727486 /nfs/dbraw/zinc/72/74/86/441727486.db2.gz WZVRBYSJVYAUSM-AWEZNQCLSA-N 2 2 331.424 1.338 20 0 EDADLP CCCC[C@H](C(=O)OC)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000116399871 441819493 /nfs/dbraw/zinc/81/94/93/441819493.db2.gz YBTJNNQYZDHVPV-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[C@H](C(=O)OC)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000116399871 441819498 /nfs/dbraw/zinc/81/94/98/441819498.db2.gz YBTJNNQYZDHVPV-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000115796091 441779698 /nfs/dbraw/zinc/77/96/98/441779698.db2.gz BWIOJDHFZJNMSR-OAHLLOKOSA-N 2 2 342.447 1.751 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000115796091 441779705 /nfs/dbraw/zinc/77/97/05/441779705.db2.gz BWIOJDHFZJNMSR-OAHLLOKOSA-N 2 2 342.447 1.751 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000093189667 441864072 /nfs/dbraw/zinc/86/40/72/441864072.db2.gz UHBHTORWDAUCAM-SJORKVTESA-N 2 2 349.475 1.722 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000093189667 441864077 /nfs/dbraw/zinc/86/40/77/441864077.db2.gz UHBHTORWDAUCAM-SJORKVTESA-N 2 2 349.475 1.722 20 0 EDADLP CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123868804 441902476 /nfs/dbraw/zinc/90/24/76/441902476.db2.gz OCMHZXVMWWTSNU-ZWKOTPCHSA-N 2 2 342.443 1.679 20 0 EDADLP CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123868804 441902479 /nfs/dbraw/zinc/90/24/79/441902479.db2.gz OCMHZXVMWWTSNU-ZWKOTPCHSA-N 2 2 342.443 1.679 20 0 EDADLP CCOCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124523301 441933864 /nfs/dbraw/zinc/93/38/64/441933864.db2.gz DPVFOPDEYPPBLA-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP CCOCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124523301 441933866 /nfs/dbraw/zinc/93/38/66/441933866.db2.gz DPVFOPDEYPPBLA-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP COCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124648971 441942296 /nfs/dbraw/zinc/94/22/96/441942296.db2.gz JMCJYQQHJRANFX-IRXDYDNUSA-N 2 2 325.497 1.819 20 0 EDADLP COCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124648971 441942303 /nfs/dbraw/zinc/94/23/03/441942303.db2.gz JMCJYQQHJRANFX-IRXDYDNUSA-N 2 2 325.497 1.819 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NCCOc1cccc(F)c1 ZINC000150802142 441953315 /nfs/dbraw/zinc/95/33/15/441953315.db2.gz KVSBVCHAFPSMIX-INIZCTEOSA-N 2 2 349.450 1.738 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NCCOc1cccc(F)c1 ZINC000150802142 441953320 /nfs/dbraw/zinc/95/33/20/441953320.db2.gz KVSBVCHAFPSMIX-INIZCTEOSA-N 2 2 349.450 1.738 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cc(F)ccc1F ZINC000174718238 441957048 /nfs/dbraw/zinc/95/70/48/441957048.db2.gz PMYBRLUGTSWJJU-UHFFFAOYSA-N 2 2 340.418 1.473 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1cc(F)ccc1F ZINC000174718238 441957050 /nfs/dbraw/zinc/95/70/50/441957050.db2.gz PMYBRLUGTSWJJU-UHFFFAOYSA-N 2 2 340.418 1.473 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000174885173 441978871 /nfs/dbraw/zinc/97/88/71/441978871.db2.gz CXIABGZYBXLWPG-GOSISDBHSA-N 2 2 348.535 1.393 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000174885173 441978873 /nfs/dbraw/zinc/97/88/73/441978873.db2.gz CXIABGZYBXLWPG-GOSISDBHSA-N 2 2 348.535 1.393 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000125162709 441992212 /nfs/dbraw/zinc/99/22/12/441992212.db2.gz RZIVGAVCJSDITB-UHFFFAOYSA-N 2 2 347.459 1.506 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000125162709 441992218 /nfs/dbraw/zinc/99/22/18/441992218.db2.gz RZIVGAVCJSDITB-UHFFFAOYSA-N 2 2 347.459 1.506 20 0 EDADLP CCn1nccc1C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000119993259 441989909 /nfs/dbraw/zinc/98/99/09/441989909.db2.gz OLMBPBIFIKAZQL-UHFFFAOYSA-N 2 2 347.507 1.669 20 0 EDADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000069805402 442044608 /nfs/dbraw/zinc/04/46/08/442044608.db2.gz MAVKNUDGRUFYLO-GOSISDBHSA-N 2 2 339.524 1.924 20 0 EDADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000069805402 442044617 /nfs/dbraw/zinc/04/46/17/442044617.db2.gz MAVKNUDGRUFYLO-GOSISDBHSA-N 2 2 339.524 1.924 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000080052718 442110494 /nfs/dbraw/zinc/11/04/94/442110494.db2.gz PVBQDTIGDJJCLK-UHFFFAOYSA-N 2 2 328.420 1.508 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000120725503 442123691 /nfs/dbraw/zinc/12/36/91/442123691.db2.gz SXDWHLVXBNIGTJ-MRXNPFEDSA-N 2 2 339.867 1.516 20 0 EDADLP C[C@H](C[NH2+][C@H](c1ncc[nH]1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000126702925 442136130 /nfs/dbraw/zinc/13/61/30/442136130.db2.gz JZFVAEAIZSFZTN-AEFFLSMTSA-N 2 2 327.476 1.972 20 0 EDADLP COC(=O)[C@@]1(NCc2[nH+]ccn2C)CCC[N@H+](Cc2ccccc2)C1 ZINC000121095558 442176954 /nfs/dbraw/zinc/17/69/54/442176954.db2.gz RZKXNHTXFCLIFN-LJQANCHMSA-N 2 2 342.443 1.718 20 0 EDADLP COC(=O)[C@@]1(NCc2[nH+]ccn2C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000121095558 442176959 /nfs/dbraw/zinc/17/69/59/442176959.db2.gz RZKXNHTXFCLIFN-LJQANCHMSA-N 2 2 342.443 1.718 20 0 EDADLP CC(C)[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127165512 442177242 /nfs/dbraw/zinc/17/72/42/442177242.db2.gz RJMQDQOZCLKEMW-OAHLLOKOSA-N 2 2 340.493 1.168 20 0 EDADLP CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCCC2 ZINC000121137942 442181987 /nfs/dbraw/zinc/18/19/87/442181987.db2.gz DPGLYICQZAVNPP-DLBZAZTESA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)c1 ZINC000164046748 442189681 /nfs/dbraw/zinc/18/96/81/442189681.db2.gz BPJJGMVGTFJVEK-MRXNPFEDSA-N 2 2 335.448 1.069 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](O)COC[C@H]3CCCO3)CC2)c1 ZINC000164051286 442189700 /nfs/dbraw/zinc/18/97/00/442189700.db2.gz KLXLIUDQDZKKTK-DLBZAZTESA-N 2 2 335.448 1.069 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CC[C@H](C[NH+](C)C)C3)C2=O)c1 ZINC000176243752 442198827 /nfs/dbraw/zinc/19/88/27/442198827.db2.gz BWXQMHMSQXYRLL-RDTXWAMCSA-N 2 2 347.459 1.693 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@H+]3CC[C@H](C[NH+](C)C)C3)C2=O)c1 ZINC000176243752 442198830 /nfs/dbraw/zinc/19/88/30/442198830.db2.gz BWXQMHMSQXYRLL-RDTXWAMCSA-N 2 2 347.459 1.693 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000127425073 442201695 /nfs/dbraw/zinc/20/16/95/442201695.db2.gz HSFWTKYKBYZVTK-QGZVFWFLSA-N 2 2 345.491 1.783 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000121379292 442209622 /nfs/dbraw/zinc/20/96/22/442209622.db2.gz JVPFWVPFHNGHCF-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(C4CCCC4)no3)C2)CC1 ZINC000153143722 442264272 /nfs/dbraw/zinc/26/42/72/442264272.db2.gz JMORHQRUWSSETG-INIZCTEOSA-N 2 2 333.480 1.939 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)CC1 ZINC000153143722 442264274 /nfs/dbraw/zinc/26/42/74/442264274.db2.gz JMORHQRUWSSETG-INIZCTEOSA-N 2 2 333.480 1.939 20 0 EDADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000153245451 442270117 /nfs/dbraw/zinc/27/01/17/442270117.db2.gz OEMKXNMICLFBFI-WBVHZDCISA-N 2 2 326.481 1.492 20 0 EDADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000153245451 442270120 /nfs/dbraw/zinc/27/01/20/442270120.db2.gz OEMKXNMICLFBFI-WBVHZDCISA-N 2 2 326.481 1.492 20 0 EDADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)CN1CCOCC1 ZINC000153350336 442276647 /nfs/dbraw/zinc/27/66/47/442276647.db2.gz FFVOYJLAFOFZSO-KRWDZBQOSA-N 2 2 332.492 1.604 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000170866783 442280280 /nfs/dbraw/zinc/28/02/80/442280280.db2.gz WYGPTLZVBXQLNL-GOSISDBHSA-N 2 2 345.487 1.878 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000170866783 442280282 /nfs/dbraw/zinc/28/02/82/442280282.db2.gz WYGPTLZVBXQLNL-GOSISDBHSA-N 2 2 345.487 1.878 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000170866783 442280285 /nfs/dbraw/zinc/28/02/85/442280285.db2.gz WYGPTLZVBXQLNL-GOSISDBHSA-N 2 2 345.487 1.878 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000170866783 442280286 /nfs/dbraw/zinc/28/02/86/442280286.db2.gz WYGPTLZVBXQLNL-GOSISDBHSA-N 2 2 345.487 1.878 20 0 EDADLP COc1ccccc1OCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177142394 442303927 /nfs/dbraw/zinc/30/39/27/442303927.db2.gz LVOUTMJCNQLRHS-UHFFFAOYSA-N 2 2 335.448 1.216 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000128336313 442260115 /nfs/dbraw/zinc/26/01/15/442260115.db2.gz LMPDAKQFGDRCGE-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000128336313 442260118 /nfs/dbraw/zinc/26/01/18/442260118.db2.gz LMPDAKQFGDRCGE-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCc2ccccc2C1 ZINC000129568074 442323039 /nfs/dbraw/zinc/32/30/39/442323039.db2.gz RXMNCFCNWNDDNJ-QGZVFWFLSA-N 2 2 343.471 1.225 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000177461786 442344368 /nfs/dbraw/zinc/34/43/68/442344368.db2.gz XYVCLUVKDGBNOB-DOTOQJQBSA-N 2 2 325.497 1.866 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ncccc1F ZINC000132108871 442387010 /nfs/dbraw/zinc/38/70/10/442387010.db2.gz KTEWVZSXDBJSEH-UHFFFAOYSA-N 2 2 337.443 1.388 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ncccc1F ZINC000132108871 442387012 /nfs/dbraw/zinc/38/70/12/442387012.db2.gz KTEWVZSXDBJSEH-UHFFFAOYSA-N 2 2 337.443 1.388 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000172100638 442409259 /nfs/dbraw/zinc/40/92/59/442409259.db2.gz CNYKDDKOGVGIAM-GOSISDBHSA-N 2 2 342.443 1.959 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000172100638 442409262 /nfs/dbraw/zinc/40/92/62/442409262.db2.gz CNYKDDKOGVGIAM-GOSISDBHSA-N 2 2 342.443 1.959 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172259732 442431692 /nfs/dbraw/zinc/43/16/92/442431692.db2.gz KANSNEKXHFTFSS-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172259732 442431693 /nfs/dbraw/zinc/43/16/93/442431693.db2.gz KANSNEKXHFTFSS-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000172259732 442431694 /nfs/dbraw/zinc/43/16/94/442431694.db2.gz KANSNEKXHFTFSS-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000172259732 442431695 /nfs/dbraw/zinc/43/16/95/442431695.db2.gz KANSNEKXHFTFSS-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000133819441 442435832 /nfs/dbraw/zinc/43/58/32/442435832.db2.gz RKHSMHTUNWFFMA-INIZCTEOSA-N 2 2 344.484 1.985 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000134174562 442455187 /nfs/dbraw/zinc/45/51/87/442455187.db2.gz BMJIJJGQOIAPDZ-KRWDZBQOSA-N 2 2 345.491 1.891 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000134174562 442455188 /nfs/dbraw/zinc/45/51/88/442455188.db2.gz BMJIJJGQOIAPDZ-KRWDZBQOSA-N 2 2 345.491 1.891 20 0 EDADLP Cn1c[nH+]cc1CNc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000156508754 442488399 /nfs/dbraw/zinc/48/83/99/442488399.db2.gz XHYBSHURFYKVBJ-UHFFFAOYSA-N 2 2 327.432 1.730 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000178729921 442466545 /nfs/dbraw/zinc/46/65/45/442466545.db2.gz SPUBVHQUWMFLIT-MRXNPFEDSA-N 2 2 341.415 1.394 20 0 EDADLP COCCOCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172754648 442535177 /nfs/dbraw/zinc/53/51/77/442535177.db2.gz PTGYNFWCLRIGDH-UHFFFAOYSA-N 2 2 341.496 1.106 20 0 EDADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[NH+](C2CC2)CC1 ZINC000172837116 442551211 /nfs/dbraw/zinc/55/12/11/442551211.db2.gz PWCBXSOLISZHLT-LJQANCHMSA-N 2 2 343.471 1.584 20 0 EDADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[NH+](C2CC2)CC1 ZINC000172837116 442551213 /nfs/dbraw/zinc/55/12/13/442551213.db2.gz PWCBXSOLISZHLT-LJQANCHMSA-N 2 2 343.471 1.584 20 0 EDADLP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172837116 442551218 /nfs/dbraw/zinc/55/12/18/442551218.db2.gz PWCBXSOLISZHLT-LJQANCHMSA-N 2 2 343.471 1.584 20 0 EDADLP O=C([C@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC[N@H+](C2CC2)CC1 ZINC000172837116 442551224 /nfs/dbraw/zinc/55/12/24/442551224.db2.gz PWCBXSOLISZHLT-LJQANCHMSA-N 2 2 343.471 1.584 20 0 EDADLP CC[C@@H]1CCCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172643226 442513046 /nfs/dbraw/zinc/51/30/46/442513046.db2.gz LHALNGQISZACFA-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP CC[C@@H]1CCCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172643226 442513049 /nfs/dbraw/zinc/51/30/49/442513049.db2.gz LHALNGQISZACFA-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP COCC[C@](C)(O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178898726 442518788 /nfs/dbraw/zinc/51/87/88/442518788.db2.gz LWOXIINIVICTLW-INIZCTEOSA-N 2 2 328.376 1.410 20 0 EDADLP CC1(C)[C@@H]2C[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000172959017 442572914 /nfs/dbraw/zinc/57/29/14/442572914.db2.gz FLIZCNWSWJLOOW-IYBDPMFKSA-N 2 2 328.460 1.708 20 0 EDADLP CC1(C)[C@@H]2C[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000172959017 442572920 /nfs/dbraw/zinc/57/29/20/442572920.db2.gz FLIZCNWSWJLOOW-IYBDPMFKSA-N 2 2 328.460 1.708 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000157414172 442580776 /nfs/dbraw/zinc/58/07/76/442580776.db2.gz HLNISIQGLTVHSW-UHFFFAOYSA-N 2 2 338.477 1.490 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000157414172 442580777 /nfs/dbraw/zinc/58/07/77/442580777.db2.gz HLNISIQGLTVHSW-UHFFFAOYSA-N 2 2 338.477 1.490 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3C[C@@H](O)C3(C)C)CC2)CC1 ZINC000186693955 442593074 /nfs/dbraw/zinc/59/30/74/442593074.db2.gz RJEVYSQSUWKQIM-JKSUJKDBSA-N 2 2 338.496 1.004 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000192112412 442594730 /nfs/dbraw/zinc/59/47/30/442594730.db2.gz AXIMLODGXSPKPJ-RDBSUJKOSA-N 2 2 325.478 1.563 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000179246454 442604288 /nfs/dbraw/zinc/60/42/88/442604288.db2.gz SZAWVXWYWKMZBQ-IBGZPJMESA-N 2 2 345.487 1.956 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000179409461 442643557 /nfs/dbraw/zinc/64/35/57/442643557.db2.gz QPAMEIABCRKSAB-RBUKOAKNSA-N 2 2 347.503 1.985 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000179280353 442612038 /nfs/dbraw/zinc/61/20/38/442612038.db2.gz NSBPSLWWJVERIM-UHFFFAOYSA-N 2 2 348.495 1.256 20 0 EDADLP CCCn1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000181497677 442700551 /nfs/dbraw/zinc/70/05/51/442700551.db2.gz OONTYJFWFGSZCR-JWTNVVGKSA-N 2 2 345.491 1.676 20 0 EDADLP CCCn1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000181497677 442700554 /nfs/dbraw/zinc/70/05/54/442700554.db2.gz OONTYJFWFGSZCR-JWTNVVGKSA-N 2 2 345.491 1.676 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2cc(Cl)cs2)CN1CC[NH+]1CCOCC1 ZINC000193115520 442714924 /nfs/dbraw/zinc/71/49/24/442714924.db2.gz HINHQZZVDBJHQQ-CYBMUJFWSA-N 2 2 343.880 1.424 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247071104 442833899 /nfs/dbraw/zinc/83/38/99/442833899.db2.gz WNPWCWAIXOOKNM-WCVJEAGWSA-N 2 2 338.496 1.805 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000247071104 442833903 /nfs/dbraw/zinc/83/39/03/442833903.db2.gz WNPWCWAIXOOKNM-WCVJEAGWSA-N 2 2 338.496 1.805 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247071104 442833908 /nfs/dbraw/zinc/83/39/08/442833908.db2.gz WNPWCWAIXOOKNM-WCVJEAGWSA-N 2 2 338.496 1.805 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247071104 442833912 /nfs/dbraw/zinc/83/39/12/442833912.db2.gz WNPWCWAIXOOKNM-WCVJEAGWSA-N 2 2 338.496 1.805 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)c1 ZINC000182752360 442819184 /nfs/dbraw/zinc/81/91/84/442819184.db2.gz VWUMWJXFHAKHLV-IEBWSBKVSA-N 2 2 325.412 1.871 20 0 EDADLP CO[C@@H](C)[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000188835257 442823390 /nfs/dbraw/zinc/82/33/90/442823390.db2.gz JIAXXDOCDZLIFH-UIJGJVKASA-N 2 2 338.496 1.362 20 0 EDADLP CO[C@@H](C)[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000188835257 442823396 /nfs/dbraw/zinc/82/33/96/442823396.db2.gz JIAXXDOCDZLIFH-UIJGJVKASA-N 2 2 338.496 1.362 20 0 EDADLP CC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CCOC ZINC000268064537 442834769 /nfs/dbraw/zinc/83/47/69/442834769.db2.gz AJAWFMIOCIUNSJ-HNNXBMFYSA-N 2 2 339.505 1.993 20 0 EDADLP CC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CCOC ZINC000268064537 442834771 /nfs/dbraw/zinc/83/47/71/442834771.db2.gz AJAWFMIOCIUNSJ-HNNXBMFYSA-N 2 2 339.505 1.993 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000268101246 442848398 /nfs/dbraw/zinc/84/83/98/442848398.db2.gz ADSITXLQBSTEPW-CRAIPNDOSA-N 2 2 343.475 1.392 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000268101246 442848402 /nfs/dbraw/zinc/84/84/02/442848402.db2.gz ADSITXLQBSTEPW-CRAIPNDOSA-N 2 2 343.475 1.392 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194144451 442851416 /nfs/dbraw/zinc/85/14/16/442851416.db2.gz XHLXIEUQOUTHKH-ROUUACIJSA-N 2 2 346.475 1.138 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000194144451 442851419 /nfs/dbraw/zinc/85/14/19/442851419.db2.gz XHLXIEUQOUTHKH-ROUUACIJSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000194144451 442851421 /nfs/dbraw/zinc/85/14/21/442851421.db2.gz XHLXIEUQOUTHKH-ROUUACIJSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000194144451 442851425 /nfs/dbraw/zinc/85/14/25/442851425.db2.gz XHLXIEUQOUTHKH-ROUUACIJSA-N 2 2 346.475 1.138 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cn2c1 ZINC000268154125 442872871 /nfs/dbraw/zinc/87/28/71/442872871.db2.gz VIXHSVGIGNTAIS-XJKSGUPXSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)cn2c1 ZINC000268154125 442872875 /nfs/dbraw/zinc/87/28/75/442872875.db2.gz VIXHSVGIGNTAIS-XJKSGUPXSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1cn2cc(NC(=O)N[C@H](C)CN3CC[NH+](C)CC3)ccc2[nH+]1 ZINC000265695504 442884026 /nfs/dbraw/zinc/88/40/26/442884026.db2.gz GQEXECCJOMRYDU-CYBMUJFWSA-N 2 2 330.436 1.400 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000268202312 442898406 /nfs/dbraw/zinc/89/84/06/442898406.db2.gz XPWMCPBJEDWCDU-HOCLYGCPSA-N 2 2 329.448 1.396 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000268202312 442898409 /nfs/dbraw/zinc/89/84/09/442898409.db2.gz XPWMCPBJEDWCDU-HOCLYGCPSA-N 2 2 329.448 1.396 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1noc(-c2ccsc2)n1 ZINC000182957642 442854212 /nfs/dbraw/zinc/85/42/12/442854212.db2.gz YKYDVPWFEDNRQG-UHFFFAOYSA-N 2 2 335.477 1.867 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1noc(-c2ccsc2)n1 ZINC000182957642 442854215 /nfs/dbraw/zinc/85/42/15/442854215.db2.gz YKYDVPWFEDNRQG-UHFFFAOYSA-N 2 2 335.477 1.867 20 0 EDADLP C[C@H](CC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000194564392 442915023 /nfs/dbraw/zinc/91/50/23/442915023.db2.gz LVESYFUUFGAQAR-MJGOQNOKSA-N 2 2 345.487 1.703 20 0 EDADLP FC(F)C(F)(F)COCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000189415659 442945932 /nfs/dbraw/zinc/94/59/32/442945932.db2.gz NGMQESZEYQJRJD-GFCCVEGCSA-N 2 2 328.350 1.558 20 0 EDADLP FC(F)C(F)(F)COCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000189415659 442945936 /nfs/dbraw/zinc/94/59/36/442945936.db2.gz NGMQESZEYQJRJD-GFCCVEGCSA-N 2 2 328.350 1.558 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](CC(N)=O)C(C)(C)C)c2cc1C ZINC000268466678 442998904 /nfs/dbraw/zinc/99/89/04/442998904.db2.gz GVULYCMCVWIEOQ-CQSZACIVSA-N 2 2 332.448 1.600 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NCc3c[nH+]cn3C)c2)CC1 ZINC000189511931 442970755 /nfs/dbraw/zinc/97/07/55/442970755.db2.gz TYWZTQUZTUFNMK-UHFFFAOYSA-N 2 2 327.432 1.696 20 0 EDADLP C[N@H+](C[C@@H](O)C(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249586411 442991541 /nfs/dbraw/zinc/99/15/41/442991541.db2.gz TYINOCXRIUAKAK-CABCVRRESA-N 2 2 332.366 1.478 20 0 EDADLP C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249586411 442991544 /nfs/dbraw/zinc/99/15/44/442991544.db2.gz TYINOCXRIUAKAK-CABCVRRESA-N 2 2 332.366 1.478 20 0 EDADLP C[NH+](C[C@@H](O)C(F)(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249586411 442991547 /nfs/dbraw/zinc/99/15/47/442991547.db2.gz TYINOCXRIUAKAK-CABCVRRESA-N 2 2 332.366 1.478 20 0 EDADLP C[NH+](C[C@@H](O)C(F)(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249586411 442991551 /nfs/dbraw/zinc/99/15/51/442991551.db2.gz TYINOCXRIUAKAK-CABCVRRESA-N 2 2 332.366 1.478 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](C)C[C@@H]3C(N)=O)c2cc1C ZINC000249588000 442991564 /nfs/dbraw/zinc/99/15/64/442991564.db2.gz ULLHFGPGKQYWSX-CDHAZOANSA-N 2 2 344.459 1.600 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](C)C[C@@H]3C(N)=O)c2cc1C ZINC000249588000 442991567 /nfs/dbraw/zinc/99/15/67/442991567.db2.gz ULLHFGPGKQYWSX-CDHAZOANSA-N 2 2 344.459 1.600 20 0 EDADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000266088802 443013678 /nfs/dbraw/zinc/01/36/78/443013678.db2.gz HURKZKOKAHHKHD-GFCCVEGCSA-N 2 2 336.411 1.936 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000251903099 443019681 /nfs/dbraw/zinc/01/96/81/443019681.db2.gz SOHKARBLVHVIFE-YESZJQIVSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000251903099 443019686 /nfs/dbraw/zinc/01/96/86/443019686.db2.gz SOHKARBLVHVIFE-YESZJQIVSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000251903099 443019690 /nfs/dbraw/zinc/01/96/90/443019690.db2.gz SOHKARBLVHVIFE-YESZJQIVSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000251903099 443019693 /nfs/dbraw/zinc/01/96/93/443019693.db2.gz SOHKARBLVHVIFE-YESZJQIVSA-N 2 2 345.487 1.347 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn3cccnc3n2)[C@H](C)C1 ZINC000189999313 443045195 /nfs/dbraw/zinc/04/51/95/443045195.db2.gz UBTSWXRGDTXZGU-WBVHZDCISA-N 2 2 331.464 1.956 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn3cccnc3n2)[C@H](C)C1 ZINC000189999313 443045197 /nfs/dbraw/zinc/04/51/97/443045197.db2.gz UBTSWXRGDTXZGU-WBVHZDCISA-N 2 2 331.464 1.956 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000189745271 443001507 /nfs/dbraw/zinc/00/15/07/443001507.db2.gz JTWORULQLALNEQ-MAUKXSAKSA-N 2 2 349.450 1.315 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000189745271 443001511 /nfs/dbraw/zinc/00/15/11/443001511.db2.gz JTWORULQLALNEQ-MAUKXSAKSA-N 2 2 349.450 1.315 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000268749899 443097098 /nfs/dbraw/zinc/09/70/98/443097098.db2.gz HDDHLRPPQSDBRL-AWEZNQCLSA-N 2 2 327.494 1.976 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000268749899 443097103 /nfs/dbraw/zinc/09/71/03/443097103.db2.gz HDDHLRPPQSDBRL-AWEZNQCLSA-N 2 2 327.494 1.976 20 0 EDADLP COCCCOC1C[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000184660098 443055982 /nfs/dbraw/zinc/05/59/82/443055982.db2.gz BPZPZUJXUWGKEY-INIZCTEOSA-N 2 2 347.459 1.751 20 0 EDADLP C[C@H]1CSCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000190143444 443062764 /nfs/dbraw/zinc/06/27/64/443062764.db2.gz DLZCDSGEQKPYON-CQSZACIVSA-N 2 2 328.526 1.407 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000266454856 443132013 /nfs/dbraw/zinc/13/20/13/443132013.db2.gz KHYDSBGQZZXGMH-MRXNPFEDSA-N 2 2 327.432 1.372 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1NC(C)=O ZINC000268908132 443144231 /nfs/dbraw/zinc/14/42/31/443144231.db2.gz MFBNYENXOLJZEL-XJKSGUPXSA-N 2 2 334.464 1.550 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1NC(C)=O ZINC000268908132 443144234 /nfs/dbraw/zinc/14/42/34/443144234.db2.gz MFBNYENXOLJZEL-XJKSGUPXSA-N 2 2 334.464 1.550 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000268915095 443145850 /nfs/dbraw/zinc/14/58/50/443145850.db2.gz SEKCCCVZQODPBA-SIIHOXLZSA-N 2 2 328.460 1.897 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000268915095 443145853 /nfs/dbraw/zinc/14/58/53/443145853.db2.gz SEKCCCVZQODPBA-SIIHOXLZSA-N 2 2 328.460 1.897 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCOCC12CCC2)c1ccccc1 ZINC000184989210 443112110 /nfs/dbraw/zinc/11/21/10/443112110.db2.gz DJNMYRFOXRMUIM-KRWDZBQOSA-N 2 2 331.460 1.660 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCOCC12CCC2)c1ccccc1 ZINC000184989210 443112115 /nfs/dbraw/zinc/11/21/15/443112115.db2.gz DJNMYRFOXRMUIM-KRWDZBQOSA-N 2 2 331.460 1.660 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261877378 443172631 /nfs/dbraw/zinc/17/26/31/443172631.db2.gz DXNUBUDTMSFJPF-XMTFNYHQSA-N 3 2 325.497 1.090 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261877378 443172635 /nfs/dbraw/zinc/17/26/35/443172635.db2.gz DXNUBUDTMSFJPF-XMTFNYHQSA-N 3 2 325.497 1.090 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649477 443196692 /nfs/dbraw/zinc/19/66/92/443196692.db2.gz XVDLJYAFSZBVMU-QWHCGFSZSA-N 2 2 345.447 1.457 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649477 443196694 /nfs/dbraw/zinc/19/66/94/443196694.db2.gz XVDLJYAFSZBVMU-QWHCGFSZSA-N 2 2 345.447 1.457 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649477 443196697 /nfs/dbraw/zinc/19/66/97/443196697.db2.gz XVDLJYAFSZBVMU-QWHCGFSZSA-N 2 2 345.447 1.457 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649477 443196701 /nfs/dbraw/zinc/19/67/01/443196701.db2.gz XVDLJYAFSZBVMU-QWHCGFSZSA-N 2 2 345.447 1.457 20 0 EDADLP C[C@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000299057772 318871991 /nfs/dbraw/zinc/87/19/91/318871991.db2.gz SLASCQLPYDKORM-WMLDXEAASA-N 2 2 328.416 1.818 20 0 EDADLP Cn1ccnc1C[N@H+](CCOCC(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000262113404 443182936 /nfs/dbraw/zinc/18/29/36/443182936.db2.gz KSGBYEUZMQINPN-ZDUSSCGKSA-N 2 2 328.407 1.646 20 0 EDADLP Cn1ccnc1C[N@@H+](CCOCC(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000262113404 443182941 /nfs/dbraw/zinc/18/29/41/443182941.db2.gz KSGBYEUZMQINPN-ZDUSSCGKSA-N 2 2 328.407 1.646 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@H+]1C ZINC000269055313 443185027 /nfs/dbraw/zinc/18/50/27/443185027.db2.gz SAGYKBCQJZRQQK-AFYVEPGGSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1C ZINC000269055313 443185029 /nfs/dbraw/zinc/18/50/29/443185029.db2.gz SAGYKBCQJZRQQK-AFYVEPGGSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1C ZINC000269055313 443185032 /nfs/dbraw/zinc/18/50/32/443185032.db2.gz SAGYKBCQJZRQQK-AFYVEPGGSA-N 3 2 331.504 1.942 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cn(C)cn1)[C@H]1CC12CC[NH2+]CC2 ZINC000262305820 443189829 /nfs/dbraw/zinc/18/98/29/443189829.db2.gz CEUCWEMTJDBIGU-HNNXBMFYSA-N 2 2 342.447 1.421 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)NCC[NH+]3CCC3)CC2)oc1C ZINC000337740285 318980060 /nfs/dbraw/zinc/98/00/60/318980060.db2.gz UHEVURUGWRHQIR-UHFFFAOYSA-N 2 2 349.479 1.508 20 0 EDADLP C[NH+](C)CCOc1cc(-c2noc([C@H]3C[N@H+](C)CCO3)n2)ccn1 ZINC000351212254 319096591 /nfs/dbraw/zinc/09/65/91/319096591.db2.gz FAKYQZBHRFYSNM-CYBMUJFWSA-N 2 2 333.392 1.075 20 0 EDADLP C[NH+](C)CCOc1cc(-c2noc([C@H]3C[N@@H+](C)CCO3)n2)ccn1 ZINC000351212254 319096594 /nfs/dbraw/zinc/09/65/94/319096594.db2.gz FAKYQZBHRFYSNM-CYBMUJFWSA-N 2 2 333.392 1.075 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383719864 319125972 /nfs/dbraw/zinc/12/59/72/319125972.db2.gz YDTNHHHEEGFYDR-AQNXPRMDSA-N 3 2 331.504 1.753 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383719864 319125974 /nfs/dbraw/zinc/12/59/74/319125974.db2.gz YDTNHHHEEGFYDR-AQNXPRMDSA-N 3 2 331.504 1.753 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383719864 319125976 /nfs/dbraw/zinc/12/59/76/319125976.db2.gz YDTNHHHEEGFYDR-AQNXPRMDSA-N 3 2 331.504 1.753 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000385394276 319128205 /nfs/dbraw/zinc/12/82/05/319128205.db2.gz AEQKRVYDDPUXBK-SZMVWBNQSA-N 2 2 334.460 1.943 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000385394276 319128208 /nfs/dbraw/zinc/12/82/08/319128208.db2.gz AEQKRVYDDPUXBK-SZMVWBNQSA-N 2 2 334.460 1.943 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269253974 443252395 /nfs/dbraw/zinc/25/23/95/443252395.db2.gz QZLCUCOLDUSGER-ROUUACIJSA-N 3 2 341.459 1.012 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269253974 443252400 /nfs/dbraw/zinc/25/24/00/443252400.db2.gz QZLCUCOLDUSGER-ROUUACIJSA-N 3 2 341.459 1.012 20 0 EDADLP Cc1[nH+]ccc(NCC2([NH+]3CCOCC3)CCOCC2)c1Cl ZINC000413397576 319266593 /nfs/dbraw/zinc/26/65/93/319266593.db2.gz GRZLZSUQASGSKV-UHFFFAOYSA-N 2 2 325.840 1.759 20 0 EDADLP COc1ccccc1N1CC[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000414376562 319324962 /nfs/dbraw/zinc/32/49/62/319324962.db2.gz HVSOHQPYQPKCHN-AWEZNQCLSA-N 2 2 329.448 1.863 20 0 EDADLP Oc1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1Br ZINC000414777501 319344245 /nfs/dbraw/zinc/34/42/45/319344245.db2.gz XVXHTJSOPZYRJM-ZDUSSCGKSA-N 2 2 340.265 1.634 20 0 EDADLP CCOC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000191295564 443273651 /nfs/dbraw/zinc/27/36/51/443273651.db2.gz JKFLUNRUEHPJPS-INIZCTEOSA-N 2 2 328.501 1.373 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000264511294 443312042 /nfs/dbraw/zinc/31/20/42/443312042.db2.gz LMWUGAZPNQXDKU-BBOMDTFKSA-N 2 2 340.427 1.722 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000264511294 443312043 /nfs/dbraw/zinc/31/20/43/443312043.db2.gz LMWUGAZPNQXDKU-BBOMDTFKSA-N 2 2 340.427 1.722 20 0 EDADLP C[NH+](C)[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccco1 ZINC000264562640 443327329 /nfs/dbraw/zinc/32/73/29/443327329.db2.gz QESCKGXKHMBDIF-UONOGXRCSA-N 2 2 331.420 1.746 20 0 EDADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000264686796 443375365 /nfs/dbraw/zinc/37/53/65/443375365.db2.gz CLIPRBMXTWNDOB-GOSISDBHSA-N 2 2 347.507 1.054 20 0 EDADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000264686796 443375368 /nfs/dbraw/zinc/37/53/68/443375368.db2.gz CLIPRBMXTWNDOB-GOSISDBHSA-N 2 2 347.507 1.054 20 0 EDADLP CN1CC[NH+](C)[C@H](CNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000264686796 443375371 /nfs/dbraw/zinc/37/53/71/443375371.db2.gz CLIPRBMXTWNDOB-GOSISDBHSA-N 2 2 347.507 1.054 20 0 EDADLP CN1CC[NH+](C)[C@H](CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000264686796 443375373 /nfs/dbraw/zinc/37/53/73/443375373.db2.gz CLIPRBMXTWNDOB-GOSISDBHSA-N 2 2 347.507 1.054 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)CCCC[NH+]3CCOCC3)cn2c1 ZINC000264672966 443369002 /nfs/dbraw/zinc/36/90/02/443369002.db2.gz MKKBPYSZHUNNCD-UHFFFAOYSA-N 2 2 330.432 1.761 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(OCCO)CCOCC1 ZINC000282541632 443369639 /nfs/dbraw/zinc/36/96/39/443369639.db2.gz CENBYZJCSNBJNV-HKUYNNGSSA-N 2 2 348.487 1.655 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(OCCO)CCOCC1 ZINC000282541632 443369643 /nfs/dbraw/zinc/36/96/43/443369643.db2.gz CENBYZJCSNBJNV-HKUYNNGSSA-N 2 2 348.487 1.655 20 0 EDADLP O=CN1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278722263 443413655 /nfs/dbraw/zinc/41/36/55/443413655.db2.gz MFXOYNNSUDRQKQ-IBGZPJMESA-N 2 2 331.460 1.488 20 0 EDADLP O=CN1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278722263 443413658 /nfs/dbraw/zinc/41/36/58/443413658.db2.gz MFXOYNNSUDRQKQ-IBGZPJMESA-N 2 2 331.460 1.488 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420367072 319611075 /nfs/dbraw/zinc/61/10/75/319611075.db2.gz SAKYGRUONAWZOR-NSHDSACASA-N 2 2 325.434 1.451 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000420369157 319611411 /nfs/dbraw/zinc/61/14/11/319611411.db2.gz OCBWJJHXXUWVEI-SNUQEOBHSA-N 2 2 344.459 1.493 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000264793101 443427703 /nfs/dbraw/zinc/42/77/03/443427703.db2.gz RXYXDMSFYCQACU-INIZCTEOSA-N 2 2 346.431 1.042 20 0 EDADLP CCCCC[N@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264814423 443437377 /nfs/dbraw/zinc/43/73/77/443437377.db2.gz GUGCBWYXOJUIRG-UHFFFAOYSA-N 2 2 348.491 1.605 20 0 EDADLP CCCCC[N@@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264814423 443437379 /nfs/dbraw/zinc/43/73/79/443437379.db2.gz GUGCBWYXOJUIRG-UHFFFAOYSA-N 2 2 348.491 1.605 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)Cn2c(CC)[nH+]c3ccccc32)CC1 ZINC000264815944 443437668 /nfs/dbraw/zinc/43/76/68/443437668.db2.gz WPAKWHSEFNKCIP-UHFFFAOYSA-N 2 2 344.459 1.779 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)ccc2n1C1CC1 ZINC000282802630 443438574 /nfs/dbraw/zinc/43/85/74/443438574.db2.gz ANMGGMQGQZCIGC-QGZVFWFLSA-N 2 2 328.416 1.626 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)ccc2n1C1CC1 ZINC000282802630 443438576 /nfs/dbraw/zinc/43/85/76/443438576.db2.gz ANMGGMQGQZCIGC-QGZVFWFLSA-N 2 2 328.416 1.626 20 0 EDADLP Cc1cc(N2CCC(NC(=O)N3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000267393373 443441418 /nfs/dbraw/zinc/44/14/18/443441418.db2.gz MOGNQPWYFGKSAT-UHFFFAOYSA-N 2 2 332.452 1.019 20 0 EDADLP Cc1nc(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cs1 ZINC000267274598 443401844 /nfs/dbraw/zinc/40/18/44/443401844.db2.gz FUPHGJKILCOLMO-UHFFFAOYSA-N 2 2 339.509 1.319 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000423388877 319769510 /nfs/dbraw/zinc/76/95/10/319769510.db2.gz NAZIBZJXWQSNKN-WFASDCNBSA-N 2 2 325.478 1.763 20 0 EDADLP C[C@H](c1nnnn1C)[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000283084343 443517088 /nfs/dbraw/zinc/51/70/88/443517088.db2.gz LEAQNJDRAVFHLT-OLZOCXBDSA-N 2 2 347.492 1.714 20 0 EDADLP C[C@H](c1nnnn1C)[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000283084343 443517089 /nfs/dbraw/zinc/51/70/89/443517089.db2.gz LEAQNJDRAVFHLT-OLZOCXBDSA-N 2 2 347.492 1.714 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000272121259 443532801 /nfs/dbraw/zinc/53/28/01/443532801.db2.gz SYHXIMXFJXPNHC-QAPCUYQASA-N 2 2 349.450 1.452 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC[C@H]21 ZINC000272294254 443582834 /nfs/dbraw/zinc/58/28/34/443582834.db2.gz VQYFTBWJGXBFGX-WMLDXEAASA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC[C@H]21 ZINC000272294254 443582838 /nfs/dbraw/zinc/58/28/38/443582838.db2.gz VQYFTBWJGXBFGX-WMLDXEAASA-N 2 2 325.416 1.824 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000267811052 443584836 /nfs/dbraw/zinc/58/48/36/443584836.db2.gz NLXAFDQJYRBNCJ-UHFFFAOYSA-N 2 2 325.844 1.883 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272303317 443586168 /nfs/dbraw/zinc/58/61/68/443586168.db2.gz JJCVDISHICYHCO-INIZCTEOSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272303317 443586174 /nfs/dbraw/zinc/58/61/74/443586174.db2.gz JJCVDISHICYHCO-INIZCTEOSA-N 2 2 343.431 1.234 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1C ZINC000265135039 443545284 /nfs/dbraw/zinc/54/52/84/443545284.db2.gz SVRRWORDVGICAM-UHFFFAOYSA-N 2 2 338.415 1.661 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cn21 ZINC000436068859 320018524 /nfs/dbraw/zinc/01/85/24/320018524.db2.gz XLPMIWVWAYJMBO-INIZCTEOSA-N 2 2 329.448 1.462 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cn21 ZINC000436068859 320018528 /nfs/dbraw/zinc/01/85/28/320018528.db2.gz XLPMIWVWAYJMBO-INIZCTEOSA-N 2 2 329.448 1.462 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)C2CC[NH+](CC)CC2)c1C ZINC000437591940 320031197 /nfs/dbraw/zinc/03/11/97/320031197.db2.gz QGYSQJNCXXHGED-UHFFFAOYSA-N 2 2 336.480 1.979 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)C2CC[NH+](CC)CC2)c1C ZINC000437591940 320031200 /nfs/dbraw/zinc/03/12/00/320031200.db2.gz QGYSQJNCXXHGED-UHFFFAOYSA-N 2 2 336.480 1.979 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000283578263 443665460 /nfs/dbraw/zinc/66/54/60/443665460.db2.gz NJWUTRCCQQEZBD-UHFFFAOYSA-N 2 2 349.479 1.157 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3C)CC2)cc(OC)c1 ZINC000449363122 320184219 /nfs/dbraw/zinc/18/42/19/320184219.db2.gz NETXPQCYMJUACG-RDTXWAMCSA-N 2 2 347.459 1.204 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449387927 320186716 /nfs/dbraw/zinc/18/67/16/320186716.db2.gz NNLYBPWYJFUCDS-IRXDYDNUSA-N 2 2 325.497 1.604 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449387927 320186720 /nfs/dbraw/zinc/18/67/20/320186720.db2.gz NNLYBPWYJFUCDS-IRXDYDNUSA-N 2 2 325.497 1.604 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(OC)c1OC ZINC000449390376 320187409 /nfs/dbraw/zinc/18/74/09/320187409.db2.gz GONDBFQYOGQXHL-HNNXBMFYSA-N 2 2 338.448 1.649 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(OC)c1OC ZINC000449390376 320187410 /nfs/dbraw/zinc/18/74/10/320187410.db2.gz GONDBFQYOGQXHL-HNNXBMFYSA-N 2 2 338.448 1.649 20 0 EDADLP Cc1cc(N[C@@H]2CCC[N@H+](CCCO)C2)nc(-c2ccncc2)[nH+]1 ZINC000450610811 320220395 /nfs/dbraw/zinc/22/03/95/320220395.db2.gz HKRYFIFZZRDICX-MRXNPFEDSA-N 2 2 327.432 1.528 20 0 EDADLP Cc1cc(N[C@@H]2CCC[N@@H+](CCCO)C2)nc(-c2ccncc2)[nH+]1 ZINC000450610811 320220397 /nfs/dbraw/zinc/22/03/97/320220397.db2.gz HKRYFIFZZRDICX-MRXNPFEDSA-N 2 2 327.432 1.528 20 0 EDADLP CC[C@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000457080413 320318940 /nfs/dbraw/zinc/31/89/40/320318940.db2.gz MNUMFGIDLFIIGM-HZPDHXFCSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000457080413 320318941 /nfs/dbraw/zinc/31/89/41/320318941.db2.gz MNUMFGIDLFIIGM-HZPDHXFCSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000457455828 320326651 /nfs/dbraw/zinc/32/66/51/320326651.db2.gz MZOZROVREVFHMU-DOTOQJQBSA-N 2 2 334.464 1.137 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000492761511 320385284 /nfs/dbraw/zinc/38/52/84/320385284.db2.gz GLXAHLNTBIMKMO-SREVYHEPSA-N 2 2 339.443 1.357 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000492856632 320388567 /nfs/dbraw/zinc/38/85/67/320388567.db2.gz CHTKJMJRULDPAP-FPLPWBNLSA-N 2 2 339.443 1.751 20 0 EDADLP C[N@H+](CCCCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000276423224 443701842 /nfs/dbraw/zinc/70/18/42/443701842.db2.gz RCTRISDCNDSGOE-UHFFFAOYSA-N 2 2 325.478 1.097 20 0 EDADLP C[N@@H+](CCCCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000276423224 443701844 /nfs/dbraw/zinc/70/18/44/443701844.db2.gz RCTRISDCNDSGOE-UHFFFAOYSA-N 2 2 325.478 1.097 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC2(CCC2)O1 ZINC000516863864 320442099 /nfs/dbraw/zinc/44/20/99/320442099.db2.gz GTXUXPUDWSVWQD-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000283779891 443716428 /nfs/dbraw/zinc/71/64/28/443716428.db2.gz FDGYZFRHLUKYHD-OAHLLOKOSA-N 2 2 337.468 1.013 20 0 EDADLP COc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc(OC)c1O ZINC000298401718 443762233 /nfs/dbraw/zinc/76/22/33/443762233.db2.gz JPSOVJJYQINBEG-UHFFFAOYSA-N 2 2 349.475 1.623 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000288103671 443772430 /nfs/dbraw/zinc/77/24/30/443772430.db2.gz XBEKKELVRLGZNU-CABCVRRESA-N 2 2 347.463 1.106 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000288103671 443772434 /nfs/dbraw/zinc/77/24/34/443772434.db2.gz XBEKKELVRLGZNU-CABCVRRESA-N 2 2 347.463 1.106 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000281377433 443893502 /nfs/dbraw/zinc/89/35/02/443893502.db2.gz OWVKCKHTFHGEHQ-UHFFFAOYSA-N 2 2 333.432 1.449 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000281377433 443893507 /nfs/dbraw/zinc/89/35/07/443893507.db2.gz OWVKCKHTFHGEHQ-UHFFFAOYSA-N 2 2 333.432 1.449 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000535034858 320710099 /nfs/dbraw/zinc/71/00/99/320710099.db2.gz JAELXIFEJGUFBV-UHFFFAOYSA-N 2 2 347.507 1.504 20 0 EDADLP C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000277311303 443960616 /nfs/dbraw/zinc/96/06/16/443960616.db2.gz CXAHKSCUKDZOTF-ZBFHGGJFSA-N 2 2 337.489 1.407 20 0 EDADLP CCC[C@]1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000285406764 443973780 /nfs/dbraw/zinc/97/37/80/443973780.db2.gz CVXRTNKAUOFSTH-IBGZPJMESA-N 2 2 346.475 1.669 20 0 EDADLP COC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293536427 444047653 /nfs/dbraw/zinc/04/76/53/444047653.db2.gz JUHWBBXRQMXKDT-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP COC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293536427 444047656 /nfs/dbraw/zinc/04/76/56/444047656.db2.gz JUHWBBXRQMXKDT-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP COC[C@@H]1CC[NH+]1[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293536427 444047658 /nfs/dbraw/zinc/04/76/58/444047658.db2.gz JUHWBBXRQMXKDT-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP COC[C@@H]1CC[NH+]1[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293536427 444047662 /nfs/dbraw/zinc/04/76/62/444047662.db2.gz JUHWBBXRQMXKDT-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP COc1ccnc(N2CC[NH+](CCCc3c[nH+]ccc3C)CC2)n1 ZINC000289108310 444055477 /nfs/dbraw/zinc/05/54/77/444055477.db2.gz MRWXKCFYKIBELM-UHFFFAOYSA-N 2 2 327.432 1.943 20 0 EDADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(=O)[nH]n1 ZINC000285496524 444007447 /nfs/dbraw/zinc/00/74/47/444007447.db2.gz APGSRCRONDZCQL-CYBMUJFWSA-N 2 2 342.447 1.868 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CCSC1 ZINC000557713829 321005802 /nfs/dbraw/zinc/00/58/02/321005802.db2.gz GLRPOCJTMRKFJI-AWEZNQCLSA-N 2 2 331.445 1.702 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CCSC1 ZINC000557713829 321005803 /nfs/dbraw/zinc/00/58/03/321005803.db2.gz GLRPOCJTMRKFJI-AWEZNQCLSA-N 2 2 331.445 1.702 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)[nH+]1 ZINC000560332572 321020864 /nfs/dbraw/zinc/02/08/64/321020864.db2.gz SVPVUCGYFOSJJU-CJNGLKHVSA-N 2 2 328.464 1.729 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000561279343 321038953 /nfs/dbraw/zinc/03/89/53/321038953.db2.gz PEMDNCGVWBDQLL-XJKSGUPXSA-N 2 2 346.456 1.513 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000562812299 321077662 /nfs/dbraw/zinc/07/76/62/321077662.db2.gz GSAZWCRBAUHECY-QGZVFWFLSA-N 2 2 346.475 1.392 20 0 EDADLP O[C@]1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC[C@H](C(F)(F)F)C1 ZINC000562960025 321083920 /nfs/dbraw/zinc/08/39/20/321083920.db2.gz IBZMFWKXWWPGLU-GBJTYRQASA-N 2 2 336.398 1.827 20 0 EDADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000562995037 321086682 /nfs/dbraw/zinc/08/66/82/321086682.db2.gz GXXSBTILVVQVDM-XLIONFOSSA-N 2 2 346.519 1.242 20 0 EDADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000562995037 321086684 /nfs/dbraw/zinc/08/66/84/321086684.db2.gz GXXSBTILVVQVDM-XLIONFOSSA-N 2 2 346.519 1.242 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000562995037 321086686 /nfs/dbraw/zinc/08/66/86/321086686.db2.gz GXXSBTILVVQVDM-XLIONFOSSA-N 2 2 346.519 1.242 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000562995037 321086688 /nfs/dbraw/zinc/08/66/88/321086688.db2.gz GXXSBTILVVQVDM-XLIONFOSSA-N 2 2 346.519 1.242 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000563214872 321101312 /nfs/dbraw/zinc/10/13/12/321101312.db2.gz CQJZOEUJBOVKNP-FQEVSTJZSA-N 2 2 344.503 1.705 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000563214872 321101313 /nfs/dbraw/zinc/10/13/13/321101313.db2.gz CQJZOEUJBOVKNP-FQEVSTJZSA-N 2 2 344.503 1.705 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000563214873 321101354 /nfs/dbraw/zinc/10/13/54/321101354.db2.gz CQJZOEUJBOVKNP-HXUWFJFHSA-N 2 2 344.503 1.705 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000563214873 321101356 /nfs/dbraw/zinc/10/13/56/321101356.db2.gz CQJZOEUJBOVKNP-HXUWFJFHSA-N 2 2 344.503 1.705 20 0 EDADLP C[C@@H](CC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)n1cc[nH+]c1 ZINC000563237682 321103209 /nfs/dbraw/zinc/10/32/09/321103209.db2.gz JRYXHCAMAVLEKJ-HZMVEIRTSA-N 2 2 334.464 1.934 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563545605 321111309 /nfs/dbraw/zinc/11/13/09/321111309.db2.gz IKKAEXMXOIPIMH-MRXNPFEDSA-N 2 2 341.459 1.908 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000289265097 444091314 /nfs/dbraw/zinc/09/13/14/444091314.db2.gz WMHQJIFJMWVPCD-FUHWJXTLSA-N 2 2 348.491 1.179 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c[nH]cc(C)c3=O)CC2)CC1 ZINC000565474936 321187549 /nfs/dbraw/zinc/18/75/49/321187549.db2.gz ATDQGSJZUPVQQL-UHFFFAOYSA-N 2 2 346.475 1.316 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c[nH]cc(C)c3=O)CC2)CC1 ZINC000565474936 321187550 /nfs/dbraw/zinc/18/75/50/321187550.db2.gz ATDQGSJZUPVQQL-UHFFFAOYSA-N 2 2 346.475 1.316 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)CCN2C1=O ZINC000565666344 321196621 /nfs/dbraw/zinc/19/66/21/321196621.db2.gz DCGVZUQIPKAVCN-ZIAGYGMSSA-N 2 2 328.441 1.554 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)CCN2C1=O ZINC000565666344 321196623 /nfs/dbraw/zinc/19/66/23/321196623.db2.gz DCGVZUQIPKAVCN-ZIAGYGMSSA-N 2 2 328.441 1.554 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)c1nc(C2([NH3+])CCC2)no1 ZINC000566216465 321223336 /nfs/dbraw/zinc/22/33/36/321223336.db2.gz ZGVJTSNAWNBOGG-HNNXBMFYSA-N 2 2 338.415 1.895 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566431841 321230556 /nfs/dbraw/zinc/23/05/56/321230556.db2.gz QBXSCFCJFMVHGM-MAUKXSAKSA-N 2 2 342.443 1.606 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566431841 321230557 /nfs/dbraw/zinc/23/05/57/321230557.db2.gz QBXSCFCJFMVHGM-MAUKXSAKSA-N 2 2 342.443 1.606 20 0 EDADLP C[NH+]1CCN([C@@H](CNC(=O)c2coc(C[NH3+])c2)c2cccs2)CC1 ZINC000567747053 321257672 /nfs/dbraw/zinc/25/76/72/321257672.db2.gz UKBDVEPGNDUXDF-HNNXBMFYSA-N 2 2 348.472 1.518 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2nccs2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000568230614 321283295 /nfs/dbraw/zinc/28/32/95/321283295.db2.gz YGCNXIXJYBFEEH-CABCVRRESA-N 2 2 345.472 1.517 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2nccs2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000568230614 321283297 /nfs/dbraw/zinc/28/32/97/321283297.db2.gz YGCNXIXJYBFEEH-CABCVRRESA-N 2 2 345.472 1.517 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000568991440 321313789 /nfs/dbraw/zinc/31/37/89/321313789.db2.gz NPSMMRXLBZTGBX-KBAYOESNSA-N 2 2 348.443 1.429 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000568991440 321313791 /nfs/dbraw/zinc/31/37/91/321313791.db2.gz NPSMMRXLBZTGBX-KBAYOESNSA-N 2 2 348.443 1.429 20 0 EDADLP O=C(C[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1)N1CC[NH2+]CC1 ZINC000569473055 321326682 /nfs/dbraw/zinc/32/66/82/321326682.db2.gz ZZQBIOFEOVSFBJ-SFHVURJKSA-N 2 2 328.391 1.332 20 0 EDADLP C[C@H](CCOCc1ccccc1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570066438 321336304 /nfs/dbraw/zinc/33/63/04/321336304.db2.gz VRFCJXQIVIZWDZ-NVXWUHKLSA-N 2 2 334.464 1.266 20 0 EDADLP C[C@H](CCOCc1ccccc1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570066438 321336307 /nfs/dbraw/zinc/33/63/07/321336307.db2.gz VRFCJXQIVIZWDZ-NVXWUHKLSA-N 2 2 334.464 1.266 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000570527716 321345677 /nfs/dbraw/zinc/34/56/77/321345677.db2.gz RRKJOCPVDMPBSH-UHFFFAOYSA-N 2 2 327.392 1.369 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)COC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000570564793 321348029 /nfs/dbraw/zinc/34/80/29/321348029.db2.gz GBRJFRIONLLTBL-IMFGXOCKSA-N 2 2 348.487 1.796 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)COC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000570564793 321348031 /nfs/dbraw/zinc/34/80/31/321348031.db2.gz GBRJFRIONLLTBL-IMFGXOCKSA-N 2 2 348.487 1.796 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C(F)(F)F ZINC000570920326 321362682 /nfs/dbraw/zinc/36/26/82/321362682.db2.gz HJBTVSUQLDNDCV-HNNXBMFYSA-N 2 2 348.365 1.410 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000570939819 321365425 /nfs/dbraw/zinc/36/54/25/321365425.db2.gz MQTJCZIICVXCGL-OALUTQOASA-N 2 2 335.492 1.829 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000570939819 321365426 /nfs/dbraw/zinc/36/54/26/321365426.db2.gz MQTJCZIICVXCGL-OALUTQOASA-N 2 2 335.492 1.829 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000570939819 321365427 /nfs/dbraw/zinc/36/54/27/321365427.db2.gz MQTJCZIICVXCGL-OALUTQOASA-N 2 2 335.492 1.829 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000570939819 321365428 /nfs/dbraw/zinc/36/54/28/321365428.db2.gz MQTJCZIICVXCGL-OALUTQOASA-N 2 2 335.492 1.829 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC=C(c3cccnc3)C2)CC1 ZINC000289415555 444136005 /nfs/dbraw/zinc/13/60/05/444136005.db2.gz UEDYAQGCBZKGSS-MRXNPFEDSA-N 2 2 328.460 1.723 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC=C(c3cccnc3)C2)CC1 ZINC000289415555 444136007 /nfs/dbraw/zinc/13/60/07/444136007.db2.gz UEDYAQGCBZKGSS-MRXNPFEDSA-N 2 2 328.460 1.723 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000294702164 444138926 /nfs/dbraw/zinc/13/89/26/444138926.db2.gz YDHLAKORESIKHD-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000294702164 444138930 /nfs/dbraw/zinc/13/89/30/444138930.db2.gz YDHLAKORESIKHD-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP COc1cc(F)c([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1OC ZINC000289423686 444139731 /nfs/dbraw/zinc/13/97/31/444139731.db2.gz WQUQPAKKICTDBR-YPMHNXCESA-N 2 2 326.412 1.949 20 0 EDADLP COc1cc(F)c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1OC ZINC000289423686 444139738 /nfs/dbraw/zinc/13/97/38/444139738.db2.gz WQUQPAKKICTDBR-YPMHNXCESA-N 2 2 326.412 1.949 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000573117643 321443730 /nfs/dbraw/zinc/44/37/30/321443730.db2.gz IXORVMFTLYPWAF-HZPDHXFCSA-N 2 2 334.464 1.518 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000294534749 444121974 /nfs/dbraw/zinc/12/19/74/444121974.db2.gz GBUDGYHBMIDMIW-CZUORRHYSA-N 2 2 330.432 1.258 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000294534749 444121977 /nfs/dbraw/zinc/12/19/77/444121977.db2.gz GBUDGYHBMIDMIW-CZUORRHYSA-N 2 2 330.432 1.258 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000302271089 444211535 /nfs/dbraw/zinc/21/15/35/444211535.db2.gz GVBFAWKJEOXADD-UHFFFAOYSA-N 2 2 332.452 1.041 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000302271089 444211538 /nfs/dbraw/zinc/21/15/38/444211538.db2.gz GVBFAWKJEOXADD-UHFFFAOYSA-N 2 2 332.452 1.041 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000289896781 444216495 /nfs/dbraw/zinc/21/64/95/444216495.db2.gz IUYRUJIKSQOIKQ-MSOLQXFVSA-N 2 2 331.460 1.523 20 0 EDADLP CN(C)c1cc[nH+]c(NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000301685151 444185198 /nfs/dbraw/zinc/18/51/98/444185198.db2.gz LEIWAQBKRWXQDX-UHFFFAOYSA-N 2 2 327.432 1.987 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC[C@H]21 ZINC000301700604 444186263 /nfs/dbraw/zinc/18/62/63/444186263.db2.gz FOQREFOORNIFIK-BRWVUGGUSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC[C@H]21 ZINC000301700604 444186266 /nfs/dbraw/zinc/18/62/66/444186266.db2.gz FOQREFOORNIFIK-BRWVUGGUSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)CC[C@H]21 ZINC000301700604 444186268 /nfs/dbraw/zinc/18/62/68/444186268.db2.gz FOQREFOORNIFIK-BRWVUGGUSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)CC[C@H]21 ZINC000301700604 444186271 /nfs/dbraw/zinc/18/62/71/444186271.db2.gz FOQREFOORNIFIK-BRWVUGGUSA-N 2 2 345.491 1.606 20 0 EDADLP Cc1ccccc1-n1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)nn1 ZINC000289669998 444188700 /nfs/dbraw/zinc/18/87/00/444188700.db2.gz IXVOSIKWULXNCQ-MRXNPFEDSA-N 2 2 328.464 1.301 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)nc[nH+]1 ZINC000301853868 444193651 /nfs/dbraw/zinc/19/36/51/444193651.db2.gz HFDSJOWVGZVKDP-JYJNAYRXSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)nc[nH+]1 ZINC000301853868 444193653 /nfs/dbraw/zinc/19/36/53/444193653.db2.gz HFDSJOWVGZVKDP-JYJNAYRXSA-N 2 2 347.463 1.103 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000289944796 444222518 /nfs/dbraw/zinc/22/25/18/444222518.db2.gz LUIBCTPPRAQJNZ-FGTMMUONSA-N 2 2 331.460 1.564 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCC[C@@H]1O ZINC000305344158 444269021 /nfs/dbraw/zinc/26/90/21/444269021.db2.gz PRQSLDXLPPZFAS-WBVHZDCISA-N 2 2 335.448 1.017 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCC[C@@H]1O ZINC000305344158 444269022 /nfs/dbraw/zinc/26/90/22/444269022.db2.gz PRQSLDXLPPZFAS-WBVHZDCISA-N 2 2 335.448 1.017 20 0 EDADLP c1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000302841715 444227141 /nfs/dbraw/zinc/22/71/41/444227141.db2.gz MGCSLANWHQKUBW-WBVHZDCISA-N 2 2 343.475 1.766 20 0 EDADLP c1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000302841715 444227143 /nfs/dbraw/zinc/22/71/43/444227143.db2.gz MGCSLANWHQKUBW-WBVHZDCISA-N 2 2 343.475 1.766 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)[nH+]1 ZINC000302841715 444227145 /nfs/dbraw/zinc/22/71/45/444227145.db2.gz MGCSLANWHQKUBW-WBVHZDCISA-N 2 2 343.475 1.766 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH+]1 ZINC000302841715 444227148 /nfs/dbraw/zinc/22/71/48/444227148.db2.gz MGCSLANWHQKUBW-WBVHZDCISA-N 2 2 343.475 1.766 20 0 EDADLP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000303235236 444235519 /nfs/dbraw/zinc/23/55/19/444235519.db2.gz ZJBOBQFDRRNQJY-NUJGCVRESA-N 2 2 327.513 1.261 20 0 EDADLP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000303235236 444235522 /nfs/dbraw/zinc/23/55/22/444235522.db2.gz ZJBOBQFDRRNQJY-NUJGCVRESA-N 2 2 327.513 1.261 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000303235236 444235525 /nfs/dbraw/zinc/23/55/25/444235525.db2.gz ZJBOBQFDRRNQJY-NUJGCVRESA-N 2 2 327.513 1.261 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C(N)=O)CC[C@@H]3C)c2cc1C ZINC000303393705 444237257 /nfs/dbraw/zinc/23/72/57/444237257.db2.gz GARQXUYYONYEOG-ARFHVFGLSA-N 2 2 344.459 1.600 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)c2cc1C ZINC000303393705 444237258 /nfs/dbraw/zinc/23/72/58/444237258.db2.gz GARQXUYYONYEOG-ARFHVFGLSA-N 2 2 344.459 1.600 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)C1 ZINC000304175929 444242706 /nfs/dbraw/zinc/24/27/06/444242706.db2.gz TXRDXDQJBRXUGM-MAUKXSAKSA-N 2 2 339.430 1.710 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)C1 ZINC000304175929 444242708 /nfs/dbraw/zinc/24/27/08/444242708.db2.gz TXRDXDQJBRXUGM-MAUKXSAKSA-N 2 2 339.430 1.710 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)C1 ZINC000304129143 444243009 /nfs/dbraw/zinc/24/30/09/444243009.db2.gz AROCVIQDNUKDOS-QAPCUYQASA-N 2 2 339.430 1.710 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)C1 ZINC000304129143 444243010 /nfs/dbraw/zinc/24/30/10/444243010.db2.gz AROCVIQDNUKDOS-QAPCUYQASA-N 2 2 339.430 1.710 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000577384802 321648191 /nfs/dbraw/zinc/64/81/91/321648191.db2.gz ATJJPHITOXDYKG-UHFFFAOYSA-N 2 2 345.443 1.951 20 0 EDADLP COCC(=O)N1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310367142 444291643 /nfs/dbraw/zinc/29/16/43/444291643.db2.gz FNEVEWYSBCDTHP-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP COCC(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310367142 444291648 /nfs/dbraw/zinc/29/16/48/444291648.db2.gz FNEVEWYSBCDTHP-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP [NH3+]CCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000578368179 321764755 /nfs/dbraw/zinc/76/47/55/321764755.db2.gz FYHHARUJUCUIQG-UHFFFAOYSA-N 2 2 331.464 1.821 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000340288121 444376260 /nfs/dbraw/zinc/37/62/60/444376260.db2.gz LPRKZMLYRSBGOX-QZTJIDSGSA-N 2 2 338.540 1.782 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000340288121 444376262 /nfs/dbraw/zinc/37/62/62/444376262.db2.gz LPRKZMLYRSBGOX-QZTJIDSGSA-N 2 2 338.540 1.782 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c(C)n2n1 ZINC000325810968 444369458 /nfs/dbraw/zinc/36/94/58/444369458.db2.gz KEBHZKAGUSYRAY-CWRNSKLLSA-N 2 2 329.448 1.860 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)c(C)n2n1 ZINC000325810968 444369459 /nfs/dbraw/zinc/36/94/59/444369459.db2.gz KEBHZKAGUSYRAY-CWRNSKLLSA-N 2 2 329.448 1.860 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[NH+]1CCN(C)CC1 ZINC000326442133 444374754 /nfs/dbraw/zinc/37/47/54/444374754.db2.gz WUEZMBNOWAAMKK-ZWKOTPCHSA-N 2 2 338.540 1.672 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NCc2ccc3c[nH+]cn3c2)n1C ZINC000297761337 444330378 /nfs/dbraw/zinc/33/03/78/444330378.db2.gz CLEQUBLQZNBWPM-UHFFFAOYSA-N 2 2 327.392 1.133 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CCCO1 ZINC000340507905 444416690 /nfs/dbraw/zinc/41/66/90/444416690.db2.gz GZCJMQSYXLRIOB-PMPSAXMXSA-N 2 2 332.510 1.433 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CCCO1 ZINC000340507905 444416692 /nfs/dbraw/zinc/41/66/92/444416692.db2.gz GZCJMQSYXLRIOB-PMPSAXMXSA-N 2 2 332.510 1.433 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)C[C@@H](C)O1 ZINC000578860660 321843106 /nfs/dbraw/zinc/84/31/06/321843106.db2.gz ANTVFLAYOWGGTG-BZPMIXESSA-N 2 2 346.393 1.706 20 0 EDADLP COc1cc2c(cc1C[NH+]1CCN([C@@H]3CC[NH2+]C3)CC1)O[C@@H](C)C2 ZINC000326856318 444378284 /nfs/dbraw/zinc/37/82/84/444378284.db2.gz PRKBBMISLMCDBL-WMLDXEAASA-N 2 2 331.460 1.498 20 0 EDADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C(C)C ZINC000328311490 444385755 /nfs/dbraw/zinc/38/57/55/444385755.db2.gz BTJQFHXLBQONEW-ZIFCJYIRSA-N 2 2 331.460 1.391 20 0 EDADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C(C)C ZINC000328311490 444385758 /nfs/dbraw/zinc/38/57/58/444385758.db2.gz BTJQFHXLBQONEW-ZIFCJYIRSA-N 2 2 331.460 1.391 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000298028873 444391600 /nfs/dbraw/zinc/39/16/00/444391600.db2.gz FECDWTDKXPIRHE-AWEZNQCLSA-N 2 2 343.431 1.509 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000298028873 444391603 /nfs/dbraw/zinc/39/16/03/444391603.db2.gz FECDWTDKXPIRHE-AWEZNQCLSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000331660854 444481614 /nfs/dbraw/zinc/48/16/14/444481614.db2.gz YGMADEMNFGASGV-QFBILLFUSA-N 2 2 345.487 1.396 20 0 EDADLP C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000331660854 444481615 /nfs/dbraw/zinc/48/16/15/444481615.db2.gz YGMADEMNFGASGV-QFBILLFUSA-N 2 2 345.487 1.396 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337998360 444482424 /nfs/dbraw/zinc/48/24/24/444482424.db2.gz HKLVYMMMEUTMOQ-GASCZTMLSA-N 2 2 337.468 1.380 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337998360 444482425 /nfs/dbraw/zinc/48/24/25/444482425.db2.gz HKLVYMMMEUTMOQ-GASCZTMLSA-N 2 2 337.468 1.380 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340710827 444485156 /nfs/dbraw/zinc/48/51/56/444485156.db2.gz GSHWVEXJHJLUMT-JKSUJKDBSA-N 2 2 333.480 1.722 20 0 EDADLP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000580084387 322008188 /nfs/dbraw/zinc/00/81/88/322008188.db2.gz OTUXVFICWDOHLK-PBHICJAKSA-N 2 2 325.884 1.989 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000580173373 322018433 /nfs/dbraw/zinc/01/84/33/322018433.db2.gz GNBFPYZVGQYDSD-SHTZXODSSA-N 2 2 334.468 1.002 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000580193708 322021967 /nfs/dbraw/zinc/02/19/67/322021967.db2.gz PRYURWFUZGXNNQ-MSOLQXFVSA-N 2 2 340.427 1.841 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c[nH+]1 ZINC000580631653 322075787 /nfs/dbraw/zinc/07/57/87/322075787.db2.gz USCFYINWBHORGD-HZPDHXFCSA-N 2 2 331.464 1.821 20 0 EDADLP CC(C)COc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580632198 322075838 /nfs/dbraw/zinc/07/58/38/322075838.db2.gz VMNKUTNUDZWFJY-MRXNPFEDSA-N 2 2 334.464 1.506 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000332065432 444499996 /nfs/dbraw/zinc/49/99/96/444499996.db2.gz SHPALQABDJBOQG-ZNMIVQPWSA-N 2 2 347.463 1.152 20 0 EDADLP CSC[C@H](CCO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000580952637 322117048 /nfs/dbraw/zinc/11/70/48/322117048.db2.gz NQLQUQVHBGLMDV-GJZGRUSLSA-N 2 2 337.489 1.718 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000581121143 322138185 /nfs/dbraw/zinc/13/81/85/322138185.db2.gz IFTLAPGBYCGOQV-DLBZAZTESA-N 2 2 331.464 1.426 20 0 EDADLP CCOc1cccc(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000581127490 322139357 /nfs/dbraw/zinc/13/93/57/322139357.db2.gz WECSITMNBRZDNX-BQFCYCMXSA-N 2 2 336.476 1.688 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581240338 322152691 /nfs/dbraw/zinc/15/26/91/322152691.db2.gz PBIFLNUMCDUQIQ-ZMSDIMECSA-N 2 2 343.475 1.738 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000581368728 322169653 /nfs/dbraw/zinc/16/96/53/322169653.db2.gz ZYYBGCIROGANDA-QJPTWQEYSA-N 2 2 325.815 1.684 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000581368728 322169655 /nfs/dbraw/zinc/16/96/55/322169655.db2.gz ZYYBGCIROGANDA-QJPTWQEYSA-N 2 2 325.815 1.684 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000581878460 322227061 /nfs/dbraw/zinc/22/70/61/322227061.db2.gz GDTWVTVKLFFXAM-XYJFISCASA-N 2 2 331.460 1.787 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581979459 322239934 /nfs/dbraw/zinc/23/99/34/322239934.db2.gz BRVNRFGNQYPELD-YXJHDRRASA-N 2 2 344.459 1.276 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343711194 444538259 /nfs/dbraw/zinc/53/82/59/444538259.db2.gz FFWNPMPQFULFED-HOTGVXAUSA-N 2 2 338.540 1.780 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343711194 444538264 /nfs/dbraw/zinc/53/82/64/444538264.db2.gz FFWNPMPQFULFED-HOTGVXAUSA-N 2 2 338.540 1.780 20 0 EDADLP OC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCO1 ZINC000342161630 444542221 /nfs/dbraw/zinc/54/22/21/444542221.db2.gz JHYABINQGLMDTK-QYZOEREBSA-N 2 2 334.460 1.407 20 0 EDADLP OC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCO1 ZINC000342161630 444542226 /nfs/dbraw/zinc/54/22/26/444542226.db2.gz JHYABINQGLMDTK-QYZOEREBSA-N 2 2 334.460 1.407 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccsc1 ZINC000343782206 444587428 /nfs/dbraw/zinc/58/74/28/444587428.db2.gz CLFZIFUNCATPCY-JALIKCBVSA-N 2 2 335.473 1.282 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332983108 444620704 /nfs/dbraw/zinc/62/07/04/444620704.db2.gz RGMIZHWEKSIPMF-QKPAOTATSA-N 2 2 333.480 1.864 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332983108 444620708 /nfs/dbraw/zinc/62/07/08/444620708.db2.gz RGMIZHWEKSIPMF-QKPAOTATSA-N 2 2 333.480 1.864 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343916056 444666249 /nfs/dbraw/zinc/66/62/49/444666249.db2.gz PKVAJENBEVFOTM-MAUKXSAKSA-N 2 2 330.476 1.395 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343916056 444666253 /nfs/dbraw/zinc/66/62/53/444666253.db2.gz PKVAJENBEVFOTM-MAUKXSAKSA-N 2 2 330.476 1.395 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000341115061 444680960 /nfs/dbraw/zinc/68/09/60/444680960.db2.gz CZARWQRFZIZXTR-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000341115061 444680965 /nfs/dbraw/zinc/68/09/65/444680965.db2.gz CZARWQRFZIZXTR-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@H]1C ZINC000329581411 444637358 /nfs/dbraw/zinc/63/73/58/444637358.db2.gz PYIPKFTWPSAGMZ-OLZOCXBDSA-N 2 2 335.477 1.764 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@H]1C ZINC000329581411 444637361 /nfs/dbraw/zinc/63/73/61/444637361.db2.gz PYIPKFTWPSAGMZ-OLZOCXBDSA-N 2 2 335.477 1.764 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@H]1C ZINC000329581411 444637363 /nfs/dbraw/zinc/63/73/63/444637363.db2.gz PYIPKFTWPSAGMZ-OLZOCXBDSA-N 2 2 335.477 1.764 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)C[C@H]1C ZINC000329581411 444637365 /nfs/dbraw/zinc/63/73/65/444637365.db2.gz PYIPKFTWPSAGMZ-OLZOCXBDSA-N 2 2 335.477 1.764 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333919047 444717656 /nfs/dbraw/zinc/71/76/56/444717656.db2.gz OSNVTZSWJIFJCX-SFHVURJKSA-N 2 2 329.448 1.577 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333922752 444719626 /nfs/dbraw/zinc/71/96/26/444719626.db2.gz RSDRFBXPRKZVOH-IBGZPJMESA-N 2 2 343.475 1.967 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000341196214 444722095 /nfs/dbraw/zinc/72/20/95/444722095.db2.gz VLFIXJDMGBZTJN-KBPBESRZSA-N 2 2 327.469 1.106 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)CC[N@@H+]1C ZINC000341202559 444726358 /nfs/dbraw/zinc/72/63/58/444726358.db2.gz MZTNWNRFJBPYNT-HOCLYGCPSA-N 2 2 341.459 2.429 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)CC[N@H+]1C ZINC000341202559 444726361 /nfs/dbraw/zinc/72/63/61/444726361.db2.gz MZTNWNRFJBPYNT-HOCLYGCPSA-N 2 2 341.459 2.429 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[NH+]2CCC1CC2 ZINC000341261020 444753025 /nfs/dbraw/zinc/75/30/25/444753025.db2.gz HPTBNJZABLLXRP-UHFFFAOYSA-N 2 2 333.823 1.977 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000342641622 444792336 /nfs/dbraw/zinc/79/23/36/444792336.db2.gz DAUAZLSUVQXBFG-QGZVFWFLSA-N 2 2 343.431 1.344 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000336853450 444803461 /nfs/dbraw/zinc/80/34/61/444803461.db2.gz HOMMBPSFHCBAOO-LLVKDONJSA-N 2 2 327.450 1.778 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000336853450 444803464 /nfs/dbraw/zinc/80/34/64/444803464.db2.gz HOMMBPSFHCBAOO-LLVKDONJSA-N 2 2 327.450 1.778 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000341353256 444791497 /nfs/dbraw/zinc/79/14/97/444791497.db2.gz ZWBJQNKKQSWNJR-CYBMUJFWSA-N 2 2 328.453 1.578 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000342738406 444842214 /nfs/dbraw/zinc/84/22/14/444842214.db2.gz JDUGWRQXZXRUKU-NJAFHUGGSA-N 2 2 335.492 1.715 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000342738406 444842219 /nfs/dbraw/zinc/84/22/19/444842219.db2.gz JDUGWRQXZXRUKU-NJAFHUGGSA-N 2 2 335.492 1.715 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000344212696 444842810 /nfs/dbraw/zinc/84/28/10/444842810.db2.gz LXAYPMBWATUHHJ-QAPCUYQASA-N 3 2 332.492 1.408 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000344212696 444842812 /nfs/dbraw/zinc/84/28/12/444842812.db2.gz LXAYPMBWATUHHJ-QAPCUYQASA-N 3 2 332.492 1.408 20 0 EDADLP C[C@@H](C(=O)NCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000336908412 444845992 /nfs/dbraw/zinc/84/59/92/444845992.db2.gz GLFMHYDNNZUPJZ-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H](C(=O)NCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000336908412 444845998 /nfs/dbraw/zinc/84/59/98/444845998.db2.gz GLFMHYDNNZUPJZ-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP COC(=O)c1cnc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nc1 ZINC000342777553 444862719 /nfs/dbraw/zinc/86/27/19/444862719.db2.gz IZPVEAOHYKBPKY-UHFFFAOYSA-N 2 2 347.463 1.258 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CO[C@@H]2CCOC2)CC1 ZINC000342802180 444873081 /nfs/dbraw/zinc/87/30/81/444873081.db2.gz ITKJPJWKBSYUPY-GOEBONIOSA-N 2 2 328.453 1.188 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)C2)C1 ZINC000330181140 444876022 /nfs/dbraw/zinc/87/60/22/444876022.db2.gz GKVOGQXVCKIJKH-MAUKXSAKSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)C2)C1 ZINC000330181140 444876023 /nfs/dbraw/zinc/87/60/23/444876023.db2.gz GKVOGQXVCKIJKH-MAUKXSAKSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@H]4CO)nc[nH+]3)C2)C1 ZINC000330181140 444876026 /nfs/dbraw/zinc/87/60/26/444876026.db2.gz GKVOGQXVCKIJKH-MAUKXSAKSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@H]4CO)nc[nH+]3)C2)C1 ZINC000330181140 444876027 /nfs/dbraw/zinc/87/60/27/444876027.db2.gz GKVOGQXVCKIJKH-MAUKXSAKSA-N 2 2 331.464 1.360 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341536601 444881412 /nfs/dbraw/zinc/88/14/12/444881412.db2.gz TXYPKDFKSBEOJU-XHSDSOJGSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341536601 444881414 /nfs/dbraw/zinc/88/14/14/444881414.db2.gz TXYPKDFKSBEOJU-XHSDSOJGSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C[C@@H]21 ZINC000341536601 444881418 /nfs/dbraw/zinc/88/14/18/444881418.db2.gz TXYPKDFKSBEOJU-XHSDSOJGSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)C[C@@H]21 ZINC000341536601 444881419 /nfs/dbraw/zinc/88/14/19/444881419.db2.gz TXYPKDFKSBEOJU-XHSDSOJGSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1nc(NCC2([NH+]3CCSCC3)CCCC2)nc(N(C)C)[nH+]1 ZINC000330198908 444884313 /nfs/dbraw/zinc/88/43/13/444884313.db2.gz UTENFPBPLLZOPL-UHFFFAOYSA-N 2 2 336.509 2.020 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[NH+]2CCC1CC2 ZINC000341578235 444904121 /nfs/dbraw/zinc/90/41/21/444904121.db2.gz DPSAVDMIFCMPNN-UHFFFAOYSA-N 2 2 325.416 1.862 20 0 EDADLP Cn1cnnc1C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000330257813 444910428 /nfs/dbraw/zinc/91/04/28/444910428.db2.gz LVSMSKLFWQZRMO-HNNXBMFYSA-N 2 2 327.432 1.893 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)[N@H+](C)C1 ZINC000330543640 445027481 /nfs/dbraw/zinc/02/74/81/445027481.db2.gz NXZBZUPWRSEHIA-QWRGUYRKSA-N 2 2 334.342 1.123 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)[N@@H+](C)C1 ZINC000330543640 445027484 /nfs/dbraw/zinc/02/74/84/445027484.db2.gz NXZBZUPWRSEHIA-QWRGUYRKSA-N 2 2 334.342 1.123 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000341801579 445008336 /nfs/dbraw/zinc/00/83/36/445008336.db2.gz ONFUQCPXWPJWGU-IIAWOOMASA-N 2 2 332.448 1.121 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000341801579 445008339 /nfs/dbraw/zinc/00/83/39/445008339.db2.gz ONFUQCPXWPJWGU-IIAWOOMASA-N 2 2 332.448 1.121 20 0 EDADLP C[C@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1CCOCC1 ZINC000341902468 445063049 /nfs/dbraw/zinc/06/30/49/445063049.db2.gz OSSRDJTXPSBRLN-MRXNPFEDSA-N 2 2 334.464 1.623 20 0 EDADLP C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000337453853 445088268 /nfs/dbraw/zinc/08/82/68/445088268.db2.gz GUHDHXIBADMEFQ-LPHOPBHVSA-N 2 2 345.487 1.913 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCC[C@H]1C ZINC000343133858 445086733 /nfs/dbraw/zinc/08/67/33/445086733.db2.gz SGZSUGUJIKTULG-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCC[C@H]1C ZINC000343133858 445086737 /nfs/dbraw/zinc/08/67/37/445086737.db2.gz SGZSUGUJIKTULG-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000343133858 445086739 /nfs/dbraw/zinc/08/67/39/445086739.db2.gz SGZSUGUJIKTULG-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000343133858 445086743 /nfs/dbraw/zinc/08/67/43/445086743.db2.gz SGZSUGUJIKTULG-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]1OCC[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000343168101 445110139 /nfs/dbraw/zinc/11/01/39/445110139.db2.gz UWKOBMUHEQHTNS-CTVHLWBWSA-N 2 2 336.480 1.116 20 0 EDADLP C[C@H]1OCC[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000343168101 445110144 /nfs/dbraw/zinc/11/01/44/445110144.db2.gz UWKOBMUHEQHTNS-CTVHLWBWSA-N 2 2 336.480 1.116 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000345107618 445164876 /nfs/dbraw/zinc/16/48/76/445164876.db2.gz LBHHOTZQSOYCJM-OAGGEKHMSA-N 2 2 334.443 1.597 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000343308573 445191818 /nfs/dbraw/zinc/19/18/18/445191818.db2.gz YOFOAYUSTAYOQL-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000343308573 445191822 /nfs/dbraw/zinc/19/18/22/445191822.db2.gz YOFOAYUSTAYOQL-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]2CCOCC2)cc1 ZINC000345710852 445197128 /nfs/dbraw/zinc/19/71/28/445197128.db2.gz KQKWFNNGFMAPMT-CABCVRRESA-N 2 2 341.402 1.467 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000345972293 445203224 /nfs/dbraw/zinc/20/32/24/445203224.db2.gz LYTIODTWCUFXMB-IAGOWNOFSA-N 2 2 336.480 1.143 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000345972293 445203226 /nfs/dbraw/zinc/20/32/26/445203226.db2.gz LYTIODTWCUFXMB-IAGOWNOFSA-N 2 2 336.480 1.143 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[N@H+](C)CCN2CCOCC2)CCC[NH+]1C ZINC000346885146 445227237 /nfs/dbraw/zinc/22/72/37/445227237.db2.gz MXGBKZPMINAHLA-SJLPKXTDSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[N@@H+](C)CCN2CCOCC2)CCC[NH+]1C ZINC000346885146 445227239 /nfs/dbraw/zinc/22/72/39/445227239.db2.gz MXGBKZPMINAHLA-SJLPKXTDSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[NH+](C)CCN2CCOCC2)CCC[N@@H+]1C ZINC000346885146 445227240 /nfs/dbraw/zinc/22/72/40/445227240.db2.gz MXGBKZPMINAHLA-SJLPKXTDSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[NH+](C)CCN2CCOCC2)CCC[N@H+]1C ZINC000346885146 445227242 /nfs/dbraw/zinc/22/72/42/445227242.db2.gz MXGBKZPMINAHLA-SJLPKXTDSA-N 2 2 335.496 1.067 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cnn(C)c1 ZINC000348303869 445248892 /nfs/dbraw/zinc/24/88/92/445248892.db2.gz FEDCSPXHRKFKBE-AWEZNQCLSA-N 2 2 331.420 1.008 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCCc2[nH+]ccn21)[NH+]1CCN(C)CC1 ZINC000354630930 445321386 /nfs/dbraw/zinc/32/13/86/445321386.db2.gz WRWAGHYXSGHUKS-JKSUJKDBSA-N 2 2 333.480 1.149 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCCc2[nH+]ccn21)N1CC[NH+](C)CC1 ZINC000354630930 445321389 /nfs/dbraw/zinc/32/13/89/445321389.db2.gz WRWAGHYXSGHUKS-JKSUJKDBSA-N 2 2 333.480 1.149 20 0 EDADLP CC(C)NC(=O)CC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348112496 445273195 /nfs/dbraw/zinc/27/31/95/445273195.db2.gz WEIAUNQBLGXVBF-HUUCEWRRSA-N 2 2 339.459 1.179 20 0 EDADLP CC(C)NC(=O)CC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348112496 445273197 /nfs/dbraw/zinc/27/31/97/445273197.db2.gz WEIAUNQBLGXVBF-HUUCEWRRSA-N 2 2 339.459 1.179 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnn(CC(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000351700140 445278275 /nfs/dbraw/zinc/27/82/75/445278275.db2.gz JEQWBUPGNMZSHL-GOEBONIOSA-N 2 2 341.450 1.606 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000351700140 445278276 /nfs/dbraw/zinc/27/82/76/445278276.db2.gz JEQWBUPGNMZSHL-GOEBONIOSA-N 2 2 341.450 1.606 20 0 EDADLP Cc1cc(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)no1 ZINC000348158205 445293443 /nfs/dbraw/zinc/29/34/43/445293443.db2.gz KIZOHVQCVOBJFE-UKRRQHHQSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1cc(C[N@H+](C)C[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)no1 ZINC000348158205 445293445 /nfs/dbraw/zinc/29/34/45/445293445.db2.gz KIZOHVQCVOBJFE-UKRRQHHQSA-N 2 2 348.426 1.888 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348269569 445334023 /nfs/dbraw/zinc/33/40/23/445334023.db2.gz GOMXYPDFULVJTF-CVEARBPZSA-N 2 2 349.479 1.139 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000348269569 445334026 /nfs/dbraw/zinc/33/40/26/445334026.db2.gz GOMXYPDFULVJTF-CVEARBPZSA-N 2 2 349.479 1.139 20 0 EDADLP CCn1c2nnc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)n2c2ccccc2c1=O ZINC000351861016 445346274 /nfs/dbraw/zinc/34/62/74/445346274.db2.gz KOPNTGVKAJELEN-QWHCGFSZSA-N 2 2 340.431 1.233 20 0 EDADLP CCn1c2nnc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)n2c2ccccc2c1=O ZINC000351861016 445346275 /nfs/dbraw/zinc/34/62/75/445346275.db2.gz KOPNTGVKAJELEN-QWHCGFSZSA-N 2 2 340.431 1.233 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC000356982679 445359197 /nfs/dbraw/zinc/35/91/97/445359197.db2.gz VJPSXNSJWUZPPN-QZTJIDSGSA-N 2 2 331.460 1.579 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000356982679 445359199 /nfs/dbraw/zinc/35/91/99/445359199.db2.gz VJPSXNSJWUZPPN-QZTJIDSGSA-N 2 2 331.460 1.579 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357082319 445414803 /nfs/dbraw/zinc/41/48/03/445414803.db2.gz HQICGDLQKIKLAV-XHSDSOJGSA-N 2 2 331.460 1.756 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357082319 445414807 /nfs/dbraw/zinc/41/48/07/445414807.db2.gz HQICGDLQKIKLAV-XHSDSOJGSA-N 2 2 331.460 1.756 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000357093784 445424275 /nfs/dbraw/zinc/42/42/75/445424275.db2.gz YRPYMLJLOKDLGV-HUUCEWRRSA-N 2 2 330.432 1.493 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000357093784 445424280 /nfs/dbraw/zinc/42/42/80/445424280.db2.gz YRPYMLJLOKDLGV-HUUCEWRRSA-N 2 2 330.432 1.493 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000352006404 445432154 /nfs/dbraw/zinc/43/21/54/445432154.db2.gz UKMKIBIAFKQDLI-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000352006404 445432158 /nfs/dbraw/zinc/43/21/58/445432158.db2.gz UKMKIBIAFKQDLI-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP CC(C)c1nnc([C@H]2CCCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)[nH]1 ZINC000351955760 445398887 /nfs/dbraw/zinc/39/88/87/445398887.db2.gz DNODDOIUOSVPON-OAHLLOKOSA-N 2 2 348.495 1.619 20 0 EDADLP CC(C)c1nnc([C@H]2CCCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)[nH]1 ZINC000351955760 445398892 /nfs/dbraw/zinc/39/88/92/445398892.db2.gz DNODDOIUOSVPON-OAHLLOKOSA-N 2 2 348.495 1.619 20 0 EDADLP COC(=O)c1occc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362643231 445475854 /nfs/dbraw/zinc/47/58/54/445475854.db2.gz VPLGOMLKLRWFBI-CQSZACIVSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1occc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362643231 445475860 /nfs/dbraw/zinc/47/58/60/445475860.db2.gz VPLGOMLKLRWFBI-CQSZACIVSA-N 2 2 335.448 1.667 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362548732 445433332 /nfs/dbraw/zinc/43/33/32/445433332.db2.gz XBLSOIDIBAJOEI-ZDUSSCGKSA-N 2 2 340.431 1.280 20 0 EDADLP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000362565925 445443626 /nfs/dbraw/zinc/44/36/26/445443626.db2.gz VLOLLWMABZETCR-ZDUSSCGKSA-N 2 2 345.472 1.506 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000352041555 445455937 /nfs/dbraw/zinc/45/59/37/445455937.db2.gz ZBAOBGRPBPSVAW-QGZVFWFLSA-N 2 2 339.528 1.140 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000352041555 445455942 /nfs/dbraw/zinc/45/59/42/445455942.db2.gz ZBAOBGRPBPSVAW-QGZVFWFLSA-N 2 2 339.528 1.140 20 0 EDADLP O=S1(=O)CCC(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000362615196 445464586 /nfs/dbraw/zinc/46/45/86/445464586.db2.gz IPMJBNBXMOOUNN-WBVHZDCISA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CCC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000362615196 445464591 /nfs/dbraw/zinc/46/45/91/445464591.db2.gz IPMJBNBXMOOUNN-WBVHZDCISA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000362615196 445464594 /nfs/dbraw/zinc/46/45/94/445464594.db2.gz IPMJBNBXMOOUNN-WBVHZDCISA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000362615196 445464597 /nfs/dbraw/zinc/46/45/97/445464597.db2.gz IPMJBNBXMOOUNN-WBVHZDCISA-N 2 2 326.506 1.760 20 0 EDADLP c1cc(CNc2cc[nH+]c(N3CCOCC3)n2)cc(N2CCCC2)[nH+]1 ZINC000352417252 445527395 /nfs/dbraw/zinc/52/73/95/445527395.db2.gz ZFJJGODGHZIYIA-UHFFFAOYSA-N 2 2 340.431 1.921 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCCCCn2cc[nH+]c2C)C[C@H]1C ZINC000357232029 445495640 /nfs/dbraw/zinc/49/56/40/445495640.db2.gz MLWIRLSRQNCMDD-CABCVRRESA-N 2 2 349.479 1.029 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCCCCn2cc[nH+]c2C)C[C@H]1C ZINC000357232029 445495642 /nfs/dbraw/zinc/49/56/42/445495642.db2.gz MLWIRLSRQNCMDD-CABCVRRESA-N 2 2 349.479 1.029 20 0 EDADLP CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362825517 445566643 /nfs/dbraw/zinc/56/66/43/445566643.db2.gz IDVRHUFUIFKMOQ-ZIAGYGMSSA-N 2 2 335.452 1.369 20 0 EDADLP CCCCc1noc([C@@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362825517 445566647 /nfs/dbraw/zinc/56/66/47/445566647.db2.gz IDVRHUFUIFKMOQ-ZIAGYGMSSA-N 2 2 335.452 1.369 20 0 EDADLP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362829227 445570071 /nfs/dbraw/zinc/57/00/71/445570071.db2.gz GANFHBHDQMIPKX-MRXNPFEDSA-N 2 2 347.459 1.360 20 0 EDADLP CCOc1ccc(OCC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362829227 445570073 /nfs/dbraw/zinc/57/00/73/445570073.db2.gz GANFHBHDQMIPKX-MRXNPFEDSA-N 2 2 347.459 1.360 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000362858415 445584423 /nfs/dbraw/zinc/58/44/23/445584423.db2.gz BTDNGWZPWCBFJU-CYBMUJFWSA-N 2 2 342.399 1.999 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000362858415 445584427 /nfs/dbraw/zinc/58/44/27/445584427.db2.gz BTDNGWZPWCBFJU-CYBMUJFWSA-N 2 2 342.399 1.999 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000353465336 445614029 /nfs/dbraw/zinc/61/40/29/445614029.db2.gz DOIRSWXDYOESQF-CEXWTWQISA-N 2 2 345.487 1.873 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000353513952 445636999 /nfs/dbraw/zinc/63/69/99/445636999.db2.gz GERLZNHYOIDPLT-ZBFHGGJFSA-N 2 2 347.459 1.761 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000353513950 445637497 /nfs/dbraw/zinc/63/74/97/445637497.db2.gz GERLZNHYOIDPLT-GOEBONIOSA-N 2 2 347.459 1.761 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362872141 445591054 /nfs/dbraw/zinc/59/10/54/445591054.db2.gz OTGPFGBGGUXCEK-MRXNPFEDSA-N 2 2 334.464 1.335 20 0 EDADLP C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000356053978 445592169 /nfs/dbraw/zinc/59/21/69/445592169.db2.gz YIJZRVAZRMDPOY-MAUKXSAKSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000356053978 445592174 /nfs/dbraw/zinc/59/21/74/445592174.db2.gz YIJZRVAZRMDPOY-MAUKXSAKSA-N 2 2 342.443 1.459 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000362890635 445597806 /nfs/dbraw/zinc/59/78/06/445597806.db2.gz MMRHRONTWJTEMC-UHFFFAOYSA-N 2 2 347.507 1.648 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000349723483 445655756 /nfs/dbraw/zinc/65/57/56/445655756.db2.gz OGWFPVNUNVRPIU-DOMZBBRYSA-N 2 2 333.411 1.898 20 0 EDADLP CCN1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000360256001 445659939 /nfs/dbraw/zinc/65/99/39/445659939.db2.gz DOKZSDWLLLGSKC-MRXNPFEDSA-N 2 2 349.479 1.117 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[N@H+]3CC=C(C)CC3)CC2)cc[nH+]1 ZINC000358666159 445702949 /nfs/dbraw/zinc/70/29/49/445702949.db2.gz MUOJWLWBBNEILK-UHFFFAOYSA-N 2 2 344.463 1.269 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[N@@H+]3CC=C(C)CC3)CC2)cc[nH+]1 ZINC000358666159 445702953 /nfs/dbraw/zinc/70/29/53/445702953.db2.gz MUOJWLWBBNEILK-UHFFFAOYSA-N 2 2 344.463 1.269 20 0 EDADLP CC[N@H+](CCOC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000353704202 445716472 /nfs/dbraw/zinc/71/64/72/445716472.db2.gz BVTUIIPGKCFXJW-UHFFFAOYSA-N 2 2 349.475 1.103 20 0 EDADLP CC[N@@H+](CCOC)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000353704202 445716475 /nfs/dbraw/zinc/71/64/75/445716475.db2.gz BVTUIIPGKCFXJW-UHFFFAOYSA-N 2 2 349.475 1.103 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](CC(=O)NC)CC1 ZINC000363085720 445671839 /nfs/dbraw/zinc/67/18/39/445671839.db2.gz HPSZPRWYYMIOKA-UHFFFAOYSA-N 2 2 340.512 1.169 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](CC(=O)NC)CC1 ZINC000363085720 445671843 /nfs/dbraw/zinc/67/18/43/445671843.db2.gz HPSZPRWYYMIOKA-UHFFFAOYSA-N 2 2 340.512 1.169 20 0 EDADLP CCCn1cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000353746710 445737145 /nfs/dbraw/zinc/73/71/45/445737145.db2.gz MTODOCDTIYHCDW-UHFFFAOYSA-N 2 2 329.452 1.471 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000363290685 445753728 /nfs/dbraw/zinc/75/37/28/445753728.db2.gz FRVPULKUKHTMBD-GDBMZVCRSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000363290685 445753729 /nfs/dbraw/zinc/75/37/29/445753729.db2.gz FRVPULKUKHTMBD-GDBMZVCRSA-N 2 2 342.447 1.891 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C[C@H](C)OC ZINC000361568485 445823936 /nfs/dbraw/zinc/82/39/36/445823936.db2.gz ZWKFRSWTYVSDLM-SFHVURJKSA-N 2 2 347.503 1.996 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C[C@H](C)OC ZINC000361568485 445823938 /nfs/dbraw/zinc/82/39/38/445823938.db2.gz ZWKFRSWTYVSDLM-SFHVURJKSA-N 2 2 347.503 1.996 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)C(C)(C)C[NH+](C)C ZINC000358815930 445789892 /nfs/dbraw/zinc/78/98/92/445789892.db2.gz ADXPQEVYTOWWRK-CQSZACIVSA-N 2 2 349.479 1.139 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000361513150 445796552 /nfs/dbraw/zinc/79/65/52/445796552.db2.gz BKKDHSUJJQEROY-KRWDZBQOSA-N 2 2 349.479 1.417 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000361513150 445796557 /nfs/dbraw/zinc/79/65/57/445796557.db2.gz BKKDHSUJJQEROY-KRWDZBQOSA-N 2 2 349.479 1.417 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCOc3cccc(C)c3)CC2)C1 ZINC000361701684 445885205 /nfs/dbraw/zinc/88/52/05/445885205.db2.gz QXENVBSTVPTATF-FQEVSTJZSA-N 2 2 347.503 1.712 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCOc3cccc(C)c3)CC2)C1 ZINC000361701684 445885210 /nfs/dbraw/zinc/88/52/10/445885210.db2.gz QXENVBSTVPTATF-FQEVSTJZSA-N 2 2 347.503 1.712 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000358929492 445854187 /nfs/dbraw/zinc/85/41/87/445854187.db2.gz HYVYORMRPIDECC-AWEZNQCLSA-N 2 2 325.478 1.697 20 0 EDADLP Cc1nc2[nH]ccc2c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[nH+]1 ZINC000359080188 445929808 /nfs/dbraw/zinc/92/98/08/445929808.db2.gz DVORTNLWCVFSDM-INIZCTEOSA-N 2 2 337.427 2.445 20 0 EDADLP Cc1nc2[nH]ccc2c(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[nH+]1 ZINC000359080188 445929813 /nfs/dbraw/zinc/92/98/13/445929813.db2.gz DVORTNLWCVFSDM-INIZCTEOSA-N 2 2 337.427 2.445 20 0 EDADLP CN1CC[NH+]([C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c2ccccc2)CC1 ZINC000364565461 445932577 /nfs/dbraw/zinc/93/25/77/445932577.db2.gz VTMUNOOHMVNBPJ-AKHDSKFASA-N 2 2 342.487 1.456 20 0 EDADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)[C@H](C[NH3+])C1 ZINC000359036707 445900939 /nfs/dbraw/zinc/90/09/39/445900939.db2.gz CNNDFQWOQRQTHC-UONOGXRCSA-N 2 2 335.404 1.182 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)[C@H](C[NH3+])C1 ZINC000359036707 445900942 /nfs/dbraw/zinc/90/09/42/445900942.db2.gz CNNDFQWOQRQTHC-UONOGXRCSA-N 2 2 335.404 1.182 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000369080799 445915753 /nfs/dbraw/zinc/91/57/53/445915753.db2.gz JRUJQKDJTFJRCQ-XHSDSOJGSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000369080799 445915761 /nfs/dbraw/zinc/91/57/61/445915761.db2.gz JRUJQKDJTFJRCQ-XHSDSOJGSA-N 2 2 338.496 1.412 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000372975243 445952752 /nfs/dbraw/zinc/95/27/52/445952752.db2.gz DWARJMFPCGXPFQ-MRXNPFEDSA-N 2 2 325.416 1.912 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000372975243 445952759 /nfs/dbraw/zinc/95/27/59/445952759.db2.gz DWARJMFPCGXPFQ-MRXNPFEDSA-N 2 2 325.416 1.912 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000369160276 445961934 /nfs/dbraw/zinc/96/19/34/445961934.db2.gz AJZSPCFNLHLXIT-KRWDZBQOSA-N 2 2 327.432 1.697 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000351115275 445996535 /nfs/dbraw/zinc/99/65/35/445996535.db2.gz MELKJWORBWWECQ-UHFFFAOYSA-N 2 2 333.436 1.492 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000365097984 446021739 /nfs/dbraw/zinc/02/17/39/446021739.db2.gz GOABEVWHPAIBEM-RHSMWYFYSA-N 2 2 334.464 1.355 20 0 EDADLP COC(=O)c1occc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369268623 446033239 /nfs/dbraw/zinc/03/32/39/446033239.db2.gz UMOFEOXCSMHEEO-ZBFHGGJFSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1occc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369268623 446033246 /nfs/dbraw/zinc/03/32/46/446033246.db2.gz UMOFEOXCSMHEEO-ZBFHGGJFSA-N 2 2 335.448 1.524 20 0 EDADLP Cc1[nH+]c(CNC(=O)N(C)CCCn2cc[nH+]c2)c2n1CCCC2 ZINC000369277044 446042538 /nfs/dbraw/zinc/04/25/38/446042538.db2.gz DFLAWTGWRRVMAX-UHFFFAOYSA-N 2 2 330.436 1.956 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000354206633 446000743 /nfs/dbraw/zinc/00/07/43/446000743.db2.gz RIMLBEOGKWEIGU-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000354206633 446000746 /nfs/dbraw/zinc/00/07/46/446000746.db2.gz RIMLBEOGKWEIGU-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000354206633 446000750 /nfs/dbraw/zinc/00/07/50/446000750.db2.gz RIMLBEOGKWEIGU-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000354206633 446000755 /nfs/dbraw/zinc/00/07/55/446000755.db2.gz RIMLBEOGKWEIGU-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC000366090772 446005204 /nfs/dbraw/zinc/00/52/04/446005204.db2.gz OVCJMUZEAPHQII-WMZOPIPTSA-N 2 2 339.443 1.836 20 0 EDADLP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366091185 446007433 /nfs/dbraw/zinc/00/74/33/446007433.db2.gz LLEHZWQEUNYKDW-DZGCQCFKSA-N 2 2 349.479 1.001 20 0 EDADLP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366091185 446007438 /nfs/dbraw/zinc/00/74/38/446007438.db2.gz LLEHZWQEUNYKDW-DZGCQCFKSA-N 2 2 349.479 1.001 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cnoc3C3CC3)CC2)C1 ZINC000373136414 446053115 /nfs/dbraw/zinc/05/31/15/446053115.db2.gz CVWZVPLFOJVLKH-SFHVURJKSA-N 2 2 348.491 1.779 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cnoc3C3CC3)CC2)C1 ZINC000373136414 446053117 /nfs/dbraw/zinc/05/31/17/446053117.db2.gz CVWZVPLFOJVLKH-SFHVURJKSA-N 2 2 348.491 1.779 20 0 EDADLP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000583624898 326105426 /nfs/dbraw/zinc/10/54/26/326105426.db2.gz DAHXFJNEPOPARL-RCCFBDPRSA-N 2 2 344.459 1.649 20 0 EDADLP Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000369297182 446056012 /nfs/dbraw/zinc/05/60/12/446056012.db2.gz CMDJGOCBLRFTNP-JKSUJKDBSA-N 2 2 333.480 1.652 20 0 EDADLP Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000369297182 446056018 /nfs/dbraw/zinc/05/60/18/446056018.db2.gz CMDJGOCBLRFTNP-JKSUJKDBSA-N 2 2 333.480 1.652 20 0 EDADLP Cc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000583912920 326163410 /nfs/dbraw/zinc/16/34/10/326163410.db2.gz JCGLHQAHELEJSU-OAHLLOKOSA-N 2 2 331.464 1.699 20 0 EDADLP Cc1ncncc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000584004401 326183019 /nfs/dbraw/zinc/18/30/19/326183019.db2.gz KDQOJCFXDPYRIN-HNSVSWJLSA-N 2 2 331.464 1.519 20 0 EDADLP Cc1ncncc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000584004401 326183022 /nfs/dbraw/zinc/18/30/22/326183022.db2.gz KDQOJCFXDPYRIN-HNSVSWJLSA-N 2 2 331.464 1.519 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COc1cccc2[nH]ccc21 ZINC000584048954 326189545 /nfs/dbraw/zinc/18/95/45/326189545.db2.gz QREKVSFAOJWKTA-STQMWFEESA-N 2 2 326.400 1.778 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)COc1cccc2[nH]ccc21 ZINC000584048954 326189549 /nfs/dbraw/zinc/18/95/49/326189549.db2.gz QREKVSFAOJWKTA-STQMWFEESA-N 2 2 326.400 1.778 20 0 EDADLP COc1ccccc1[C@@H](CNc1nc(C)[nH+]c(N(C)C)n1)[NH+](C)C ZINC000359232975 446064069 /nfs/dbraw/zinc/06/40/69/446064069.db2.gz OCGXTNRRHMIZRD-CQSZACIVSA-N 2 2 330.436 1.969 20 0 EDADLP CCc1nc(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000584227047 326223338 /nfs/dbraw/zinc/22/33/38/326223338.db2.gz CQEAVVRIVWXBRZ-NFAWXSAZSA-N 2 2 327.494 1.308 20 0 EDADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351441014 446066415 /nfs/dbraw/zinc/06/64/15/446066415.db2.gz JMDQFFLBBZKARY-WMLDXEAASA-N 2 2 325.497 1.314 20 0 EDADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351441014 446066420 /nfs/dbraw/zinc/06/64/20/446066420.db2.gz JMDQFFLBBZKARY-WMLDXEAASA-N 2 2 325.497 1.314 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(S(=O)(=O)N4CCCC4)o3)C[C@H]12 ZINC000351487570 446088537 /nfs/dbraw/zinc/08/85/37/446088537.db2.gz COEWIAFWTLONHR-AEGPPILISA-N 2 2 339.461 1.233 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(S(=O)(=O)N4CCCC4)o3)C[C@H]12 ZINC000351487570 446088538 /nfs/dbraw/zinc/08/85/38/446088538.db2.gz COEWIAFWTLONHR-AEGPPILISA-N 2 2 339.461 1.233 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCCOc1ccccc1 ZINC000361924516 446073886 /nfs/dbraw/zinc/07/38/86/446073886.db2.gz FSBDFPNVLAIPNZ-ICSRJNTNSA-N 2 2 347.503 1.792 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCOc1ccccc1 ZINC000361924516 446073892 /nfs/dbraw/zinc/07/38/92/446073892.db2.gz FSBDFPNVLAIPNZ-ICSRJNTNSA-N 2 2 347.503 1.792 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCOc1ccccc1 ZINC000361924516 446073897 /nfs/dbraw/zinc/07/38/97/446073897.db2.gz FSBDFPNVLAIPNZ-ICSRJNTNSA-N 2 2 347.503 1.792 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCCOc1ccccc1 ZINC000361924516 446073901 /nfs/dbraw/zinc/07/39/01/446073901.db2.gz FSBDFPNVLAIPNZ-ICSRJNTNSA-N 2 2 347.503 1.792 20 0 EDADLP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351474616 446075427 /nfs/dbraw/zinc/07/54/27/446075427.db2.gz GKRCAXKWDVJUNY-NZBPQXDJSA-N 2 2 333.432 1.700 20 0 EDADLP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351474616 446075433 /nfs/dbraw/zinc/07/54/33/446075433.db2.gz GKRCAXKWDVJUNY-NZBPQXDJSA-N 2 2 333.432 1.700 20 0 EDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359298797 446132654 /nfs/dbraw/zinc/13/26/54/446132654.db2.gz GEIIOQUFDOMSBZ-WOPDTQHZSA-N 2 2 338.249 1.927 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)no1 ZINC000359258171 446093242 /nfs/dbraw/zinc/09/32/42/446093242.db2.gz INWSDMLIWWLKLT-UHFFFAOYSA-N 2 2 334.395 1.737 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)no1 ZINC000359258171 446093246 /nfs/dbraw/zinc/09/32/46/446093246.db2.gz INWSDMLIWWLKLT-UHFFFAOYSA-N 2 2 334.395 1.737 20 0 EDADLP COc1cc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)ccc1C ZINC000373200924 446093365 /nfs/dbraw/zinc/09/33/65/446093365.db2.gz ASSXTKVZJOTIJT-GOSISDBHSA-N 2 2 333.476 1.452 20 0 EDADLP COc1cc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)ccc1C ZINC000373200924 446093369 /nfs/dbraw/zinc/09/33/69/446093369.db2.gz ASSXTKVZJOTIJT-GOSISDBHSA-N 2 2 333.476 1.452 20 0 EDADLP C[C@@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCO[C@@H]1C1CC1 ZINC000373279670 446140409 /nfs/dbraw/zinc/14/04/09/446140409.db2.gz GWKSINDBAMWTSR-RTBURBONSA-N 2 2 347.459 1.471 20 0 EDADLP CN(C[C@@H]1CCCOC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369363391 446103180 /nfs/dbraw/zinc/10/31/80/446103180.db2.gz KYGRXUPLPKRGPA-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C[C@@H]1CCCOC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369363391 446103186 /nfs/dbraw/zinc/10/31/86/446103186.db2.gz KYGRXUPLPKRGPA-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)no1 ZINC000365253501 446104228 /nfs/dbraw/zinc/10/42/28/446104228.db2.gz WVTCVOOZMSTOQA-OAHLLOKOSA-N 2 2 349.479 1.546 20 0 EDADLP Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)no1 ZINC000365253501 446104231 /nfs/dbraw/zinc/10/42/31/446104231.db2.gz WVTCVOOZMSTOQA-OAHLLOKOSA-N 2 2 349.479 1.546 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000366252029 446107366 /nfs/dbraw/zinc/10/73/66/446107366.db2.gz XQTRABJXOCAJRB-UHFFFAOYSA-N 2 2 343.475 1.930 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN(C(C)C)C(=O)C2)CC1 ZINC000356938208 446140900 /nfs/dbraw/zinc/14/09/00/446140900.db2.gz QUFFNQDYIPCQFS-UHFFFAOYSA-N 2 2 344.503 1.881 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCN(C(C)C)C(=O)C2)CC1 ZINC000356938208 446140910 /nfs/dbraw/zinc/14/09/10/446140910.db2.gz QUFFNQDYIPCQFS-UHFFFAOYSA-N 2 2 344.503 1.881 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C1CCCCC1 ZINC000351519525 446122107 /nfs/dbraw/zinc/12/21/07/446122107.db2.gz CHLHNUBOUXIWCR-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C1CCCCC1 ZINC000351519525 446122111 /nfs/dbraw/zinc/12/21/11/446122111.db2.gz CHLHNUBOUXIWCR-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)Nc3ccn(CC[NH+](C)C)n3)cn2c1 ZINC000356921236 446125771 /nfs/dbraw/zinc/12/57/71/446125771.db2.gz MNQROULGTWVNBN-UHFFFAOYSA-N 2 2 341.419 1.723 20 0 EDADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[C@@H](F)C[NH+]1Cc1c(C)noc1C ZINC000351579328 446177033 /nfs/dbraw/zinc/17/70/33/446177033.db2.gz BNPIBAOGMMCYIX-CABCVRRESA-N 2 2 340.443 1.662 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[C@@H](F)C[NH+]1Cc1c(C)noc1C ZINC000351579328 446177038 /nfs/dbraw/zinc/17/70/38/446177038.db2.gz BNPIBAOGMMCYIX-CABCVRRESA-N 2 2 340.443 1.662 20 0 EDADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000351579328 446177043 /nfs/dbraw/zinc/17/70/43/446177043.db2.gz BNPIBAOGMMCYIX-CABCVRRESA-N 2 2 340.443 1.662 20 0 EDADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000351579328 446177049 /nfs/dbraw/zinc/17/70/49/446177049.db2.gz BNPIBAOGMMCYIX-CABCVRRESA-N 2 2 340.443 1.662 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2cnn(C)c2C)CC1 ZINC000362051294 446179799 /nfs/dbraw/zinc/17/97/99/446179799.db2.gz AKPYVQHIROHJDP-WBVHZDCISA-N 2 2 333.480 1.418 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2cnn(C)c2C)CC1 ZINC000362051294 446179803 /nfs/dbraw/zinc/17/98/03/446179803.db2.gz AKPYVQHIROHJDP-WBVHZDCISA-N 2 2 333.480 1.418 20 0 EDADLP CCN(CCOC)c1cccc(CN2CC[N@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000351583207 446180448 /nfs/dbraw/zinc/18/04/48/446180448.db2.gz SKXAGQVQCJIYFT-INIZCTEOSA-N 2 2 336.480 1.053 20 0 EDADLP CCN(CCOC)c1cccc(CN2CC[N@@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000351583207 446180451 /nfs/dbraw/zinc/18/04/51/446180451.db2.gz SKXAGQVQCJIYFT-INIZCTEOSA-N 2 2 336.480 1.053 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000351589326 446186689 /nfs/dbraw/zinc/18/66/89/446186689.db2.gz COZKUSWCVODGPP-TWMKSMIVSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000351589326 446186697 /nfs/dbraw/zinc/18/66/97/446186697.db2.gz COZKUSWCVODGPP-TWMKSMIVSA-N 2 2 336.480 1.118 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359314074 446144317 /nfs/dbraw/zinc/14/43/17/446144317.db2.gz UYWVGLQEAYEFHN-CWRNSKLLSA-N 2 2 347.459 1.422 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359314074 446144322 /nfs/dbraw/zinc/14/43/22/446144322.db2.gz UYWVGLQEAYEFHN-CWRNSKLLSA-N 2 2 347.459 1.422 20 0 EDADLP C[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)[N@H+](C)Cc1ccccc1 ZINC000373305934 446156068 /nfs/dbraw/zinc/15/60/68/446156068.db2.gz VTZSEYQSVIAHHT-QGZVFWFLSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000373305934 446156073 /nfs/dbraw/zinc/15/60/73/446156073.db2.gz VTZSEYQSVIAHHT-QGZVFWFLSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000356956069 446156734 /nfs/dbraw/zinc/15/67/34/446156734.db2.gz QSLINJNTTKTULY-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cn1 ZINC000370261541 446201631 /nfs/dbraw/zinc/20/16/31/446201631.db2.gz MZUSGRJIKXNJLS-UHFFFAOYSA-N 2 2 329.448 1.987 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365431499 446203655 /nfs/dbraw/zinc/20/36/55/446203655.db2.gz PWSDZGYZCANBRJ-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365431499 446203661 /nfs/dbraw/zinc/20/36/61/446203661.db2.gz PWSDZGYZCANBRJ-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362105727 446216467 /nfs/dbraw/zinc/21/64/67/446216467.db2.gz ITZPOOSDNWJRGF-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000354453538 446216444 /nfs/dbraw/zinc/21/64/44/446216444.db2.gz XNGADMLHMWZFAH-ZNMIVQPWSA-N 2 2 334.468 1.281 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000354453538 446216450 /nfs/dbraw/zinc/21/64/50/446216450.db2.gz XNGADMLHMWZFAH-ZNMIVQPWSA-N 2 2 334.468 1.281 20 0 EDADLP CCc1noc(CC)c1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370329517 446232064 /nfs/dbraw/zinc/23/20/64/446232064.db2.gz FXDCOPZGYCPEBS-AWEZNQCLSA-N 2 2 348.491 1.627 20 0 EDADLP CCc1noc(CC)c1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370329517 446232068 /nfs/dbraw/zinc/23/20/68/446232068.db2.gz FXDCOPZGYCPEBS-AWEZNQCLSA-N 2 2 348.491 1.627 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000373492624 446236308 /nfs/dbraw/zinc/23/63/08/446236308.db2.gz DLNYHBOJOGFAGU-KRWDZBQOSA-N 2 2 346.475 1.379 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000373492624 446236313 /nfs/dbraw/zinc/23/63/13/446236313.db2.gz DLNYHBOJOGFAGU-KRWDZBQOSA-N 2 2 346.475 1.379 20 0 EDADLP CC(C)OCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373506118 446242239 /nfs/dbraw/zinc/24/22/39/446242239.db2.gz INUWCHSYBIZATK-MRXNPFEDSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)OCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373506118 446242241 /nfs/dbraw/zinc/24/22/41/446242241.db2.gz INUWCHSYBIZATK-MRXNPFEDSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H](CO)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373508058 446242902 /nfs/dbraw/zinc/24/29/02/446242902.db2.gz XBXKJPDCVJVWRJ-DOTOQJQBSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@H](CO)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373508058 446242908 /nfs/dbraw/zinc/24/29/08/446242908.db2.gz XBXKJPDCVJVWRJ-DOTOQJQBSA-N 2 2 340.512 1.205 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000365629949 446281000 /nfs/dbraw/zinc/28/10/00/446281000.db2.gz NXYXUQAZOHDSLY-ZDUSSCGKSA-N 2 2 336.436 1.057 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000365629949 446281002 /nfs/dbraw/zinc/28/10/02/446281002.db2.gz NXYXUQAZOHDSLY-ZDUSSCGKSA-N 2 2 336.436 1.057 20 0 EDADLP C[N@H+](C1CC[NH+](CCO)CC1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359611091 446318746 /nfs/dbraw/zinc/31/87/46/446318746.db2.gz ACASPNJHZWKKRT-INIZCTEOSA-N 2 2 325.497 1.412 20 0 EDADLP C[N@@H+](C1CC[NH+](CCO)CC1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359611091 446318749 /nfs/dbraw/zinc/31/87/49/446318749.db2.gz ACASPNJHZWKKRT-INIZCTEOSA-N 2 2 325.497 1.412 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000370536966 446323629 /nfs/dbraw/zinc/32/36/29/446323629.db2.gz YUECRFNGBANHAI-DLBZAZTESA-N 2 2 325.497 1.581 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000370536966 446323631 /nfs/dbraw/zinc/32/36/31/446323631.db2.gz YUECRFNGBANHAI-DLBZAZTESA-N 2 2 325.497 1.581 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000370536966 446323634 /nfs/dbraw/zinc/32/36/34/446323634.db2.gz YUECRFNGBANHAI-DLBZAZTESA-N 2 2 325.497 1.581 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000370536966 446323635 /nfs/dbraw/zinc/32/36/35/446323635.db2.gz YUECRFNGBANHAI-DLBZAZTESA-N 2 2 325.497 1.581 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCCn2cc[nH+]c21 ZINC000370546355 446326709 /nfs/dbraw/zinc/32/67/09/446326709.db2.gz LCMVHZFCFSLCSE-XHSDSOJGSA-N 2 2 332.448 1.520 20 0 EDADLP C[C@]([NH3+])(C(=O)NCC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000373907519 446340659 /nfs/dbraw/zinc/34/06/59/446340659.db2.gz RMKJNVGJJIKQPK-GOSISDBHSA-N 2 2 331.460 1.622 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C2 ZINC000365893275 446392420 /nfs/dbraw/zinc/39/24/20/446392420.db2.gz XCHKASIKWYSFST-INIZCTEOSA-N 3 2 347.507 1.238 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C2 ZINC000365893275 446392427 /nfs/dbraw/zinc/39/24/27/446392427.db2.gz XCHKASIKWYSFST-INIZCTEOSA-N 3 2 347.507 1.238 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417949677 446395431 /nfs/dbraw/zinc/39/54/31/446395431.db2.gz JLEPNTKJUOQCDK-ZIAGYGMSSA-N 2 2 326.391 1.747 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417949677 446395437 /nfs/dbraw/zinc/39/54/37/446395437.db2.gz JLEPNTKJUOQCDK-ZIAGYGMSSA-N 2 2 326.391 1.747 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417950169 446395491 /nfs/dbraw/zinc/39/54/91/446395491.db2.gz XFCVQRWFDLGISO-UONOGXRCSA-N 2 2 328.819 1.872 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417950169 446395497 /nfs/dbraw/zinc/39/54/97/446395497.db2.gz XFCVQRWFDLGISO-UONOGXRCSA-N 2 2 328.819 1.872 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n(C)n1 ZINC000417948920 446395732 /nfs/dbraw/zinc/39/57/32/446395732.db2.gz VQVYVSALJCYNEV-MJGOQNOKSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n(C)n1 ZINC000417948920 446395739 /nfs/dbraw/zinc/39/57/39/446395739.db2.gz VQVYVSALJCYNEV-MJGOQNOKSA-N 2 2 328.460 1.701 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000370768049 446427136 /nfs/dbraw/zinc/42/71/36/446427136.db2.gz XNOPBBHBEKFPNN-ZDUSSCGKSA-N 2 2 338.333 1.776 20 0 EDADLP C[N@H+](CC(=O)NCCc1cccc2cccnc21)C1CC[NH2+]CC1 ZINC000420273986 446445135 /nfs/dbraw/zinc/44/51/35/446445135.db2.gz OFNRAKHVMNHJSO-UHFFFAOYSA-N 2 2 326.444 1.577 20 0 EDADLP C[N@@H+](CC(=O)NCCc1cccc2cccnc21)C1CC[NH2+]CC1 ZINC000420273986 446445141 /nfs/dbraw/zinc/44/51/41/446445141.db2.gz OFNRAKHVMNHJSO-UHFFFAOYSA-N 2 2 326.444 1.577 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000418044230 446423424 /nfs/dbraw/zinc/42/34/24/446423424.db2.gz DOTBBCMNPCCRJV-ZDUSSCGKSA-N 2 2 338.883 1.853 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000418044230 446423428 /nfs/dbraw/zinc/42/34/28/446423428.db2.gz DOTBBCMNPCCRJV-ZDUSSCGKSA-N 2 2 338.883 1.853 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)n2)c(OC)c1 ZINC000420292752 446456501 /nfs/dbraw/zinc/45/65/01/446456501.db2.gz PXGIOTWSFOPIID-SMDDNHRTSA-N 2 2 332.404 1.923 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)n2)c(OC)c1 ZINC000420292752 446456507 /nfs/dbraw/zinc/45/65/07/446456507.db2.gz PXGIOTWSFOPIID-SMDDNHRTSA-N 2 2 332.404 1.923 20 0 EDADLP CN(C(=O)CC[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370817793 446459008 /nfs/dbraw/zinc/45/90/08/446459008.db2.gz DFGPVJFTRBFTQG-MSOLQXFVSA-N 2 2 337.508 1.963 20 0 EDADLP CN(C(=O)CC[C@@H]1CCCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370817793 446459015 /nfs/dbraw/zinc/45/90/15/446459015.db2.gz DFGPVJFTRBFTQG-MSOLQXFVSA-N 2 2 337.508 1.963 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418211227 446459833 /nfs/dbraw/zinc/45/98/33/446459833.db2.gz KRSPAQOEYJCCPJ-WMZOPIPTSA-N 2 2 346.475 1.411 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)CC(=O)NCc2ccccc2)cc1 ZINC000420296826 446459939 /nfs/dbraw/zinc/45/99/39/446459939.db2.gz FCVJUCDNYRWZCL-GOSISDBHSA-N 2 2 341.455 1.986 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC(=O)NCc2ccccc2)cc1 ZINC000420296826 446459949 /nfs/dbraw/zinc/45/99/49/446459949.db2.gz FCVJUCDNYRWZCL-GOSISDBHSA-N 2 2 341.455 1.986 20 0 EDADLP COc1ccsc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831889 446466306 /nfs/dbraw/zinc/46/63/06/446466306.db2.gz WHCKQTFPIIWKCN-CQSZACIVSA-N 2 2 337.489 1.997 20 0 EDADLP COc1ccsc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831889 446466312 /nfs/dbraw/zinc/46/63/12/446466312.db2.gz WHCKQTFPIIWKCN-CQSZACIVSA-N 2 2 337.489 1.997 20 0 EDADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000423262391 446469044 /nfs/dbraw/zinc/46/90/44/446469044.db2.gz MIGLRJPEZTWGAR-BLLLJJGKSA-N 2 2 325.478 1.892 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000420311934 446475130 /nfs/dbraw/zinc/47/51/30/446475130.db2.gz WJBXJLWJOOMGQF-ZFWWWQNUSA-N 2 2 340.489 1.635 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000420311934 446475134 /nfs/dbraw/zinc/47/51/34/446475134.db2.gz WJBXJLWJOOMGQF-ZFWWWQNUSA-N 2 2 340.489 1.635 20 0 EDADLP CCn1c2nnc(C[NH2+][C@@](C)(C[NH3+])C(C)C)n2c2ccccc2c1=O ZINC000420321793 446487077 /nfs/dbraw/zinc/48/70/77/446487077.db2.gz RUUUGCUNBMEIHH-SFHVURJKSA-N 2 2 342.447 1.527 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000420326643 446492480 /nfs/dbraw/zinc/49/24/80/446492480.db2.gz XRFYDUQFQDXLOQ-PKOBYXMFSA-N 2 2 344.459 1.643 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000420326643 446492486 /nfs/dbraw/zinc/49/24/86/446492486.db2.gz XRFYDUQFQDXLOQ-PKOBYXMFSA-N 2 2 344.459 1.643 20 0 EDADLP c1cn(CCC[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)c[nH+]1 ZINC000375004818 446507824 /nfs/dbraw/zinc/50/78/24/446507824.db2.gz LIWCRFDHDCMEQE-UHFFFAOYSA-N 2 2 338.419 1.071 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423378106 446510491 /nfs/dbraw/zinc/51/04/91/446510491.db2.gz MFKBAEXFPUDGFV-RDJZCZTQSA-N 2 2 331.460 1.728 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000420383923 446558192 /nfs/dbraw/zinc/55/81/92/446558192.db2.gz GCQAYGDDQKWHQL-HUUCEWRRSA-N 2 2 348.447 1.390 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000420383923 446558196 /nfs/dbraw/zinc/55/81/96/446558196.db2.gz GCQAYGDDQKWHQL-HUUCEWRRSA-N 2 2 348.447 1.390 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000418480932 446559326 /nfs/dbraw/zinc/55/93/26/446559326.db2.gz CYOFWXLYVDXBOQ-JQFCIGGWSA-N 2 2 332.448 1.321 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000418480932 446559332 /nfs/dbraw/zinc/55/93/32/446559332.db2.gz CYOFWXLYVDXBOQ-JQFCIGGWSA-N 2 2 332.448 1.321 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420387244 446563175 /nfs/dbraw/zinc/56/31/75/446563175.db2.gz VWFQBVAXQUTUKW-LJQANCHMSA-N 2 2 331.460 1.777 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420387244 446563177 /nfs/dbraw/zinc/56/31/77/446563177.db2.gz VWFQBVAXQUTUKW-LJQANCHMSA-N 2 2 331.460 1.777 20 0 EDADLP CC(C)c1nc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)nc(N(C)C)[nH+]1 ZINC000367215875 446523517 /nfs/dbraw/zinc/52/35/17/446523517.db2.gz OHXGJILFOLJLGG-LSDHHAIUSA-N 2 2 348.495 1.974 20 0 EDADLP Cc1ccc([C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c2cccs2)cc1 ZINC000420352887 446532366 /nfs/dbraw/zinc/53/23/66/446532366.db2.gz MYXFNDYHGILCKK-YJBOKZPZSA-N 2 2 347.484 1.514 20 0 EDADLP Cc1ccc([C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c2cccs2)cc1 ZINC000420352887 446532369 /nfs/dbraw/zinc/53/23/69/446532369.db2.gz MYXFNDYHGILCKK-YJBOKZPZSA-N 2 2 347.484 1.514 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000418415432 446535446 /nfs/dbraw/zinc/53/54/46/446535446.db2.gz UKGQMRQUTHBVNU-HNNXBMFYSA-N 2 2 348.495 1.723 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000423447835 446541139 /nfs/dbraw/zinc/54/11/39/446541139.db2.gz ULTYTEFONVUMRD-BLLLJJGKSA-N 2 2 339.386 1.145 20 0 EDADLP CCC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000453153069 446548702 /nfs/dbraw/zinc/54/87/02/446548702.db2.gz YNPOMYDERYRDDT-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000418461035 446552160 /nfs/dbraw/zinc/55/21/60/446552160.db2.gz IGOIXRWRKWMTLE-HOTGVXAUSA-N 2 2 326.485 1.256 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000418461035 446552164 /nfs/dbraw/zinc/55/21/64/446552164.db2.gz IGOIXRWRKWMTLE-HOTGVXAUSA-N 2 2 326.485 1.256 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418610393 446614879 /nfs/dbraw/zinc/61/48/79/446614879.db2.gz AABHVNDNOVETNX-LSDHHAIUSA-N 2 2 347.463 1.452 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000420392793 446569157 /nfs/dbraw/zinc/56/91/57/446569157.db2.gz ZZVZZVSWQLGVKR-YPMHNXCESA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc(OC)c1OC ZINC000420392793 446569159 /nfs/dbraw/zinc/56/91/59/446569159.db2.gz ZZVZZVSWQLGVKR-YPMHNXCESA-N 2 2 337.420 1.320 20 0 EDADLP CCCCNc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)nc(N)[nH+]1 ZINC000367734224 446580400 /nfs/dbraw/zinc/58/04/00/446580400.db2.gz MZZVVKBGZVUGMC-UHFFFAOYSA-N 2 2 348.495 1.962 20 0 EDADLP CCCCNc1cc(N2CCC[N@H+](C3CCOCC3)CC2)nc(N)[nH+]1 ZINC000367734224 446580407 /nfs/dbraw/zinc/58/04/07/446580407.db2.gz MZZVVKBGZVUGMC-UHFFFAOYSA-N 2 2 348.495 1.962 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000371043325 446593378 /nfs/dbraw/zinc/59/33/78/446593378.db2.gz MTGXPGQEEJULII-OAHLLOKOSA-N 2 2 342.443 1.990 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CCC[NH2+][C@H]1C)CC2 ZINC000423606866 446601572 /nfs/dbraw/zinc/60/15/72/446601572.db2.gz KLFGZIZBMQTREX-BBRMVZONSA-N 2 2 347.459 1.319 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CCC[NH2+][C@H]1C)CC2 ZINC000423606866 446601577 /nfs/dbraw/zinc/60/15/77/446601577.db2.gz KLFGZIZBMQTREX-BBRMVZONSA-N 2 2 347.459 1.319 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418698850 446653140 /nfs/dbraw/zinc/65/31/40/446653140.db2.gz DIBFXSJLCLKIRM-SRABZTEZSA-N 2 2 332.448 1.017 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418698850 446653146 /nfs/dbraw/zinc/65/31/46/446653146.db2.gz DIBFXSJLCLKIRM-SRABZTEZSA-N 2 2 332.448 1.017 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000418734490 446659690 /nfs/dbraw/zinc/65/96/90/446659690.db2.gz SMZUNESJOGBAGQ-CQSZACIVSA-N 2 2 344.450 1.891 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000418734490 446659696 /nfs/dbraw/zinc/65/96/96/446659696.db2.gz SMZUNESJOGBAGQ-CQSZACIVSA-N 2 2 344.450 1.891 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418747587 446668300 /nfs/dbraw/zinc/66/83/00/446668300.db2.gz AKZBFBNXUDHHOA-MCIONIFRSA-N 2 2 330.423 1.499 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418747587 446668306 /nfs/dbraw/zinc/66/83/06/446668306.db2.gz AKZBFBNXUDHHOA-MCIONIFRSA-N 2 2 330.423 1.499 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3ncccn3)C2)C1 ZINC000376651120 446630215 /nfs/dbraw/zinc/63/02/15/446630215.db2.gz JRKLPEGMIPNIJP-HOTGVXAUSA-N 2 2 346.479 1.177 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3ncccn3)C2)C1 ZINC000376651120 446630221 /nfs/dbraw/zinc/63/02/21/446630221.db2.gz JRKLPEGMIPNIJP-HOTGVXAUSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)C1 ZINC000376651120 446630227 /nfs/dbraw/zinc/63/02/27/446630227.db2.gz JRKLPEGMIPNIJP-HOTGVXAUSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)C1 ZINC000376651120 446630233 /nfs/dbraw/zinc/63/02/33/446630233.db2.gz JRKLPEGMIPNIJP-HOTGVXAUSA-N 2 2 346.479 1.177 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418649767 446632961 /nfs/dbraw/zinc/63/29/61/446632961.db2.gz JPGZBVPRHCGDDN-SOLBZPMBSA-N 2 2 346.475 1.411 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418649767 446632970 /nfs/dbraw/zinc/63/29/70/446632970.db2.gz JPGZBVPRHCGDDN-SOLBZPMBSA-N 2 2 346.475 1.411 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000375274762 446686321 /nfs/dbraw/zinc/68/63/21/446686321.db2.gz JNMUPHBFTUGNIM-GRDNDAEWSA-N 2 2 333.480 1.402 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000375274762 446686327 /nfs/dbraw/zinc/68/63/27/446686327.db2.gz JNMUPHBFTUGNIM-GRDNDAEWSA-N 2 2 333.480 1.402 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000375274762 446686330 /nfs/dbraw/zinc/68/63/30/446686330.db2.gz JNMUPHBFTUGNIM-GRDNDAEWSA-N 2 2 333.480 1.402 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000375274762 446686335 /nfs/dbraw/zinc/68/63/35/446686335.db2.gz JNMUPHBFTUGNIM-GRDNDAEWSA-N 2 2 333.480 1.402 20 0 EDADLP CN(C(=O)NCC[NH+]1CCOCC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376746777 446692768 /nfs/dbraw/zinc/69/27/68/446692768.db2.gz PYZHBQVGXFFYNM-XYPWUTKMSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)NCC[NH+]1CCOCC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376746777 446692778 /nfs/dbraw/zinc/69/27/78/446692778.db2.gz PYZHBQVGXFFYNM-XYPWUTKMSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376746777 446692783 /nfs/dbraw/zinc/69/27/83/446692783.db2.gz PYZHBQVGXFFYNM-XYPWUTKMSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)NCC[N@H+]1CCOCC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376746777 446692789 /nfs/dbraw/zinc/69/27/89/446692789.db2.gz PYZHBQVGXFFYNM-XYPWUTKMSA-N 2 2 338.496 1.364 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000423764446 446693299 /nfs/dbraw/zinc/69/32/99/446693299.db2.gz VTDNUSRPOWTSIO-GOSISDBHSA-N 2 2 341.459 1.463 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000423764446 446693303 /nfs/dbraw/zinc/69/33/03/446693303.db2.gz VTDNUSRPOWTSIO-GOSISDBHSA-N 2 2 341.459 1.463 20 0 EDADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000418775155 446694565 /nfs/dbraw/zinc/69/45/65/446694565.db2.gz WDSHIVDEFSPSML-ZDUSSCGKSA-N 2 2 344.431 1.573 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000423813254 446704384 /nfs/dbraw/zinc/70/43/84/446704384.db2.gz RZELKJMBAMBGAI-INIZCTEOSA-N 2 2 347.459 1.218 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423827121 446716060 /nfs/dbraw/zinc/71/60/60/446716060.db2.gz NCSVQXWTBGEJEI-TUKIKUTGSA-N 2 2 325.815 1.950 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423827121 446716063 /nfs/dbraw/zinc/71/60/63/446716063.db2.gz NCSVQXWTBGEJEI-TUKIKUTGSA-N 2 2 325.815 1.950 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000423831451 446721756 /nfs/dbraw/zinc/72/17/56/446721756.db2.gz QZDGINSDZKZUFI-RPZXMPESSA-N 2 2 335.398 1.826 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000423831451 446721760 /nfs/dbraw/zinc/72/17/60/446721760.db2.gz QZDGINSDZKZUFI-RPZXMPESSA-N 2 2 335.398 1.826 20 0 EDADLP COCC[C@@]1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC[NH2+]C1 ZINC000371264603 446725347 /nfs/dbraw/zinc/72/53/47/446725347.db2.gz PEOGPOKYOYFJGH-IBGZPJMESA-N 2 2 347.459 1.053 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1C ZINC000423862340 446734874 /nfs/dbraw/zinc/73/48/74/446734874.db2.gz FUIKWFUFRQHBLD-YKDOHLLJSA-N 2 2 345.491 1.389 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H](O)CC(C)(C)C)C2)CC1 ZINC000368266032 446748674 /nfs/dbraw/zinc/74/86/74/446748674.db2.gz RUEQKGNYJHUKGP-ZBFHGGJFSA-N 2 2 325.497 1.458 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H](O)CC(C)(C)C)C2)CC1 ZINC000368266032 446748680 /nfs/dbraw/zinc/74/86/80/446748680.db2.gz RUEQKGNYJHUKGP-ZBFHGGJFSA-N 2 2 325.497 1.458 20 0 EDADLP CC[C@@H](C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000371295476 446752319 /nfs/dbraw/zinc/75/23/19/446752319.db2.gz RRSUHWLVTMGZOR-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000371295476 446752325 /nfs/dbraw/zinc/75/23/25/446752325.db2.gz RRSUHWLVTMGZOR-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000371295476 446752330 /nfs/dbraw/zinc/75/23/30/446752330.db2.gz RRSUHWLVTMGZOR-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000371295476 446752334 /nfs/dbraw/zinc/75/23/34/446752334.db2.gz RRSUHWLVTMGZOR-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCC1CCCCC1 ZINC000371299683 446756348 /nfs/dbraw/zinc/75/63/48/446756348.db2.gz JIFKAGKWNSDWFF-FGTMMUONSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCC1CCCCC1 ZINC000371299683 446756354 /nfs/dbraw/zinc/75/63/54/446756354.db2.gz JIFKAGKWNSDWFF-FGTMMUONSA-N 2 2 337.508 1.866 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CSC[NH2+]1 ZINC000423915581 446764943 /nfs/dbraw/zinc/76/49/43/446764943.db2.gz MEIRNROATJZDJT-CQSZACIVSA-N 2 2 325.865 1.477 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CSC[NH2+]1 ZINC000423915581 446764949 /nfs/dbraw/zinc/76/49/49/446764949.db2.gz MEIRNROATJZDJT-CQSZACIVSA-N 2 2 325.865 1.477 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000423921373 446769580 /nfs/dbraw/zinc/76/95/80/446769580.db2.gz ICFGJTZTEYSGBW-XBFCOCLRSA-N 2 2 342.484 1.950 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000423921373 446769583 /nfs/dbraw/zinc/76/95/83/446769583.db2.gz ICFGJTZTEYSGBW-XBFCOCLRSA-N 2 2 342.484 1.950 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423998473 446815107 /nfs/dbraw/zinc/81/51/07/446815107.db2.gz PFIRLCMSKWEYKJ-ZACQAIPSSA-N 2 2 345.491 1.807 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423998473 446815113 /nfs/dbraw/zinc/81/51/13/446815113.db2.gz PFIRLCMSKWEYKJ-ZACQAIPSSA-N 2 2 345.491 1.807 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000424038846 446829291 /nfs/dbraw/zinc/82/92/91/446829291.db2.gz JCPXPGBYMVIIHB-QZTJIDSGSA-N 2 2 349.519 1.724 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000424038846 446829293 /nfs/dbraw/zinc/82/92/93/446829293.db2.gz JCPXPGBYMVIIHB-QZTJIDSGSA-N 2 2 349.519 1.724 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000375480523 446832784 /nfs/dbraw/zinc/83/27/84/446832784.db2.gz HHVBZUUGAZKYBN-HZPDHXFCSA-N 2 2 349.479 1.764 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000375480523 446832792 /nfs/dbraw/zinc/83/27/92/446832792.db2.gz HHVBZUUGAZKYBN-HZPDHXFCSA-N 2 2 349.479 1.764 20 0 EDADLP C[C@H](C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000371407366 446836124 /nfs/dbraw/zinc/83/61/24/446836124.db2.gz BQPBJRVVDMDFHM-IAGOWNOFSA-N 2 2 348.535 1.345 20 0 EDADLP C[C@H](C(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000371407366 446836130 /nfs/dbraw/zinc/83/61/30/446836130.db2.gz BQPBJRVVDMDFHM-IAGOWNOFSA-N 2 2 348.535 1.345 20 0 EDADLP C[NH+](C)C1(CNc2cc(C3CC3)[nH+]c(NCC3([NH+](C)C)CC3)n2)CC1 ZINC000419010492 446865683 /nfs/dbraw/zinc/86/56/83/446865683.db2.gz PZGZTNACFOOJPW-UHFFFAOYSA-N 3 2 344.507 1.210 20 0 EDADLP COCC[N@H+](CC(=O)N(C)C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900624 446877647 /nfs/dbraw/zinc/87/76/47/446877647.db2.gz ISSIPZWMNBFHKI-UHFFFAOYSA-N 2 2 349.475 1.055 20 0 EDADLP COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420900624 446877655 /nfs/dbraw/zinc/87/76/55/446877655.db2.gz ISSIPZWMNBFHKI-UHFFFAOYSA-N 2 2 349.475 1.055 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420927192 446897397 /nfs/dbraw/zinc/89/73/97/446897397.db2.gz YZSCQBMODHGBSW-MSOLQXFVSA-N 2 2 331.460 1.523 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+]1CCC[C@@H](C)C1 ZINC000454519534 446898600 /nfs/dbraw/zinc/89/86/00/446898600.db2.gz WOPXXYSNYWISCF-QZWWFDLISA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+]2CCO[C@H]1C2)[NH+]1CCC[C@@H](C)C1 ZINC000454519534 446898605 /nfs/dbraw/zinc/89/86/05/446898605.db2.gz WOPXXYSNYWISCF-QZWWFDLISA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2)[N@H+]1CCC[C@@H](C)C1 ZINC000454519534 446898616 /nfs/dbraw/zinc/89/86/16/446898616.db2.gz WOPXXYSNYWISCF-QZWWFDLISA-N 2 2 338.496 1.221 20 0 EDADLP COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420965051 446935418 /nfs/dbraw/zinc/93/54/18/446935418.db2.gz ORXKBLDQHHGDQI-RBUKOAKNSA-N 2 2 334.460 1.755 20 0 EDADLP COC[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420965051 446935421 /nfs/dbraw/zinc/93/54/21/446935421.db2.gz ORXKBLDQHHGDQI-RBUKOAKNSA-N 2 2 334.460 1.755 20 0 EDADLP COC[C@]1(CO)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420973812 446945496 /nfs/dbraw/zinc/94/54/96/446945496.db2.gz NPJIKJICBVGXAF-LJQANCHMSA-N 2 2 334.460 1.350 20 0 EDADLP COC[C@]1(CO)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420973812 446945503 /nfs/dbraw/zinc/94/55/03/446945503.db2.gz NPJIKJICBVGXAF-LJQANCHMSA-N 2 2 334.460 1.350 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000442763341 446956469 /nfs/dbraw/zinc/95/64/69/446956469.db2.gz GJAMFKLFIBPCLP-LSDHHAIUSA-N 2 2 346.475 1.776 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000442763341 446956475 /nfs/dbraw/zinc/95/64/75/446956475.db2.gz GJAMFKLFIBPCLP-LSDHHAIUSA-N 2 2 346.475 1.776 20 0 EDADLP CC[C@@](C)(CCO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372110887 447008266 /nfs/dbraw/zinc/00/82/66/447008266.db2.gz KOBKVMOKTLKGRE-PBHICJAKSA-N 2 2 326.485 1.005 20 0 EDADLP CC[C@@](C)(CCO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372110887 447008272 /nfs/dbraw/zinc/00/82/72/447008272.db2.gz KOBKVMOKTLKGRE-PBHICJAKSA-N 2 2 326.485 1.005 20 0 EDADLP CC[C@](C)(CCO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372110888 447008382 /nfs/dbraw/zinc/00/83/82/447008382.db2.gz KOBKVMOKTLKGRE-RHSMWYFYSA-N 2 2 326.485 1.005 20 0 EDADLP CC[C@](C)(CCO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372110888 447008390 /nfs/dbraw/zinc/00/83/90/447008390.db2.gz KOBKVMOKTLKGRE-RHSMWYFYSA-N 2 2 326.485 1.005 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CC[C@@H](O)c3ccccc3)CCO2)CC1 ZINC000375685960 446976898 /nfs/dbraw/zinc/97/68/98/446976898.db2.gz XKJNLYJASXVTTK-RBUKOAKNSA-N 2 2 333.476 1.058 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CC[C@@H](O)c3ccccc3)CCO2)CC1 ZINC000375685960 446976903 /nfs/dbraw/zinc/97/69/03/446976903.db2.gz XKJNLYJASXVTTK-RBUKOAKNSA-N 2 2 333.476 1.058 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000372090490 446995932 /nfs/dbraw/zinc/99/59/32/446995932.db2.gz KZBYCENIQWXZRQ-KBPBESRZSA-N 2 2 336.436 1.149 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000372090490 446995935 /nfs/dbraw/zinc/99/59/35/446995935.db2.gz KZBYCENIQWXZRQ-KBPBESRZSA-N 2 2 336.436 1.149 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)C1CCCCC1 ZINC000413098244 446998294 /nfs/dbraw/zinc/99/82/94/446998294.db2.gz CHLHNUBOUXIWCR-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)C1CCCCC1 ZINC000413098244 446998297 /nfs/dbraw/zinc/99/82/97/446998297.db2.gz CHLHNUBOUXIWCR-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC000421030831 447002316 /nfs/dbraw/zinc/00/23/16/447002316.db2.gz YDKAZTFKTIICNW-LMMKCTJWSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC000421030831 447002320 /nfs/dbraw/zinc/00/23/20/447002320.db2.gz YDKAZTFKTIICNW-LMMKCTJWSA-N 2 2 345.487 1.737 20 0 EDADLP CN(C(=O)NCCC1(O)CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377275735 447035168 /nfs/dbraw/zinc/03/51/68/447035168.db2.gz KUXYXBPCGUANGB-INIZCTEOSA-N 2 2 338.496 1.101 20 0 EDADLP CN(C(=O)NCCC1(O)CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377275735 447035174 /nfs/dbraw/zinc/03/51/74/447035174.db2.gz KUXYXBPCGUANGB-INIZCTEOSA-N 2 2 338.496 1.101 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCc3cccnc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000425222491 447069603 /nfs/dbraw/zinc/06/96/03/447069603.db2.gz ANQWMNXKUIRFQH-YJBOKZPZSA-N 2 2 342.487 1.738 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCc3cccnc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000425222491 447069610 /nfs/dbraw/zinc/06/96/10/447069610.db2.gz ANQWMNXKUIRFQH-YJBOKZPZSA-N 2 2 342.487 1.738 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2cscn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377259368 447024174 /nfs/dbraw/zinc/02/41/74/447024174.db2.gz VRXFRDILEDFVJE-CQSZACIVSA-N 2 2 336.505 1.703 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2cscn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377259368 447024178 /nfs/dbraw/zinc/02/41/78/447024178.db2.gz VRXFRDILEDFVJE-CQSZACIVSA-N 2 2 336.505 1.703 20 0 EDADLP Cc1cccc(NCCNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)[nH+]1 ZINC000413137398 447026858 /nfs/dbraw/zinc/02/68/58/447026858.db2.gz LNYVNRRFTHPICE-CABCVRRESA-N 2 2 342.447 1.911 20 0 EDADLP Cc1cccc(NCCNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)[nH+]1 ZINC000413137398 447026866 /nfs/dbraw/zinc/02/68/66/447026866.db2.gz LNYVNRRFTHPICE-CABCVRRESA-N 2 2 342.447 1.911 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)nc[nH+]2)C1 ZINC000413280216 447112953 /nfs/dbraw/zinc/11/29/53/447112953.db2.gz KHQCCVTYCXILON-NXOAAHMSSA-N 2 2 345.491 1.747 20 0 EDADLP CC1=CC[N@H+](CCNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000413226343 447079442 /nfs/dbraw/zinc/07/94/42/447079442.db2.gz HFWSYXQVCRKTHA-HOTGVXAUSA-N 2 2 331.464 1.748 20 0 EDADLP CC1=CC[N@@H+](CCNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000413226343 447079453 /nfs/dbraw/zinc/07/94/53/447079453.db2.gz HFWSYXQVCRKTHA-HOTGVXAUSA-N 2 2 331.464 1.748 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000377345516 447080534 /nfs/dbraw/zinc/08/05/34/447080534.db2.gz MCBSNRHEPWYKPC-OVYGPGRDSA-N 2 2 338.496 1.077 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000377345516 447080539 /nfs/dbraw/zinc/08/05/39/447080539.db2.gz MCBSNRHEPWYKPC-OVYGPGRDSA-N 2 2 338.496 1.077 20 0 EDADLP Cn1ccc(N2CC[C@H]([NH2+]C3CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000375848867 447097346 /nfs/dbraw/zinc/09/73/46/447097346.db2.gz LVNFWYZGCPEPFT-SFHVURJKSA-N 2 2 340.475 1.648 20 0 EDADLP COCCCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419381916 447141019 /nfs/dbraw/zinc/14/10/19/447141019.db2.gz HMMZLYJRCVZSNW-INIZCTEOSA-N 2 2 334.464 1.477 20 0 EDADLP COCCCC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419381916 447141027 /nfs/dbraw/zinc/14/10/27/447141027.db2.gz HMMZLYJRCVZSNW-INIZCTEOSA-N 2 2 334.464 1.477 20 0 EDADLP CC(C)[N@@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C[C@@H](O)CO ZINC000421407271 447153459 /nfs/dbraw/zinc/15/34/59/447153459.db2.gz ITRYVAPYNKFGKA-CYBMUJFWSA-N 2 2 327.494 1.473 20 0 EDADLP CC(C)[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C[C@@H](O)CO ZINC000421407271 447153464 /nfs/dbraw/zinc/15/34/64/447153464.db2.gz ITRYVAPYNKFGKA-CYBMUJFWSA-N 2 2 327.494 1.473 20 0 EDADLP CC(C)[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C[C@@H](O)CO ZINC000421407271 447153469 /nfs/dbraw/zinc/15/34/69/447153469.db2.gz ITRYVAPYNKFGKA-CYBMUJFWSA-N 2 2 327.494 1.473 20 0 EDADLP CC(C)[NH+](Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C[C@@H](O)CO ZINC000421407271 447153474 /nfs/dbraw/zinc/15/34/74/447153474.db2.gz ITRYVAPYNKFGKA-CYBMUJFWSA-N 2 2 327.494 1.473 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](n4cncn4)C3)c2cc1C ZINC000368862711 447166385 /nfs/dbraw/zinc/16/63/85/447166385.db2.gz KFCLCMLDSVLSAH-JKSUJKDBSA-N 2 2 340.431 1.553 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](n4cncn4)C3)c2cc1C ZINC000368862711 447166393 /nfs/dbraw/zinc/16/63/93/447166393.db2.gz KFCLCMLDSVLSAH-JKSUJKDBSA-N 2 2 340.431 1.553 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000375904453 447134139 /nfs/dbraw/zinc/13/41/39/447134139.db2.gz KCBWTOWFPOUGQJ-SFHVURJKSA-N 2 2 330.476 1.725 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000375904453 447134147 /nfs/dbraw/zinc/13/41/47/447134147.db2.gz KCBWTOWFPOUGQJ-SFHVURJKSA-N 2 2 330.476 1.725 20 0 EDADLP c1cn([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nn1 ZINC000425499409 447195458 /nfs/dbraw/zinc/19/54/58/447195458.db2.gz ASSVPOJXMWNYEJ-IBGZPJMESA-N 2 2 341.459 1.947 20 0 EDADLP c1cn([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nn1 ZINC000425499409 447195461 /nfs/dbraw/zinc/19/54/61/447195461.db2.gz ASSVPOJXMWNYEJ-IBGZPJMESA-N 2 2 341.459 1.947 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)cn21 ZINC000419464146 447199063 /nfs/dbraw/zinc/19/90/63/447199063.db2.gz QRACGTDXVJARGN-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3C[C@H](C)[N@H+](CCO)C[C@H]3C)cn21 ZINC000419464146 447199072 /nfs/dbraw/zinc/19/90/72/447199072.db2.gz QRACGTDXVJARGN-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP CN(C(=O)NCCCn1cc[nH+]c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924324 447205111 /nfs/dbraw/zinc/20/51/11/447205111.db2.gz KEMCKOPLMWYEFN-KRWDZBQOSA-N 3 2 348.495 1.083 20 0 EDADLP CN(C(=O)NCCCn1cc[nH+]c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924324 447205118 /nfs/dbraw/zinc/20/51/18/447205118.db2.gz KEMCKOPLMWYEFN-KRWDZBQOSA-N 3 2 348.495 1.083 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cnc4cnccn34)C2)CC1 ZINC000377630039 447256178 /nfs/dbraw/zinc/25/61/78/447256178.db2.gz RYPBQUQKGFEAQU-INIZCTEOSA-N 2 2 328.464 1.189 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000372730316 447253390 /nfs/dbraw/zinc/25/33/90/447253390.db2.gz ZBHNDXJPIGZRKA-BZUAXINKSA-N 2 2 341.521 1.041 20 0 EDADLP Cn1cc([C@@H]2[C@@H](CNc3[nH+]cnc4c3cnn4C)CCC[N@@H+]2C)cn1 ZINC000377696242 447299721 /nfs/dbraw/zinc/29/97/21/447299721.db2.gz FUMGSWUSKRDLFG-DOMZBBRYSA-N 2 2 340.435 1.592 20 0 EDADLP Cn1cc([C@@H]2[C@@H](CNc3[nH+]cnc4c3cnn4C)CCC[N@H+]2C)cn1 ZINC000377696242 447299726 /nfs/dbraw/zinc/29/97/26/447299726.db2.gz FUMGSWUSKRDLFG-DOMZBBRYSA-N 2 2 340.435 1.592 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000372767872 447276842 /nfs/dbraw/zinc/27/68/42/447276842.db2.gz RIKZSYWPESWTTK-OAHLLOKOSA-N 2 2 333.480 1.856 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000372767872 447276849 /nfs/dbraw/zinc/27/68/49/447276849.db2.gz RIKZSYWPESWTTK-OAHLLOKOSA-N 2 2 333.480 1.856 20 0 EDADLP COc1cc(-c2noc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)n2)ncn1 ZINC000450499637 447507711 /nfs/dbraw/zinc/50/77/11/447507711.db2.gz JIEANMDOMIOPNR-OCCSQVGLSA-N 2 2 344.419 1.451 20 0 EDADLP COc1cc(-c2noc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)n2)ncn1 ZINC000450499637 447507717 /nfs/dbraw/zinc/50/77/17/447507717.db2.gz JIEANMDOMIOPNR-OCCSQVGLSA-N 2 2 344.419 1.451 20 0 EDADLP COc1cc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)n2)ncn1 ZINC000450499637 447507721 /nfs/dbraw/zinc/50/77/21/447507721.db2.gz JIEANMDOMIOPNR-OCCSQVGLSA-N 2 2 344.419 1.451 20 0 EDADLP COc1cc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)n2)ncn1 ZINC000450499637 447507727 /nfs/dbraw/zinc/50/77/27/447507727.db2.gz JIEANMDOMIOPNR-OCCSQVGLSA-N 2 2 344.419 1.451 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C[C@@H]1[NH3+] ZINC000415791468 447520824 /nfs/dbraw/zinc/52/08/24/447520824.db2.gz QNELGUABUDBHPJ-SCZZXKLOSA-N 2 2 342.241 1.721 20 0 EDADLP CCC(=O)CCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000450367303 447470392 /nfs/dbraw/zinc/47/03/92/447470392.db2.gz WHFIMJOJPXKZLJ-GOSISDBHSA-N 2 2 325.497 1.473 20 0 EDADLP CCC(=O)CCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000450367303 447470396 /nfs/dbraw/zinc/47/03/96/447470396.db2.gz WHFIMJOJPXKZLJ-GOSISDBHSA-N 2 2 325.497 1.473 20 0 EDADLP CO[C@@H](Cc1ccccc1)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000450378587 447474731 /nfs/dbraw/zinc/47/47/31/447474731.db2.gz LRZSRWINZLSAQX-SFHVURJKSA-N 2 2 328.460 1.795 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000398544162 447559508 /nfs/dbraw/zinc/55/95/08/447559508.db2.gz VSZUAYFAUQXXFV-LBPRGKRZSA-N 2 2 327.226 1.556 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000398544162 447559510 /nfs/dbraw/zinc/55/95/10/447559510.db2.gz VSZUAYFAUQXXFV-LBPRGKRZSA-N 2 2 327.226 1.556 20 0 EDADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000400190494 447568814 /nfs/dbraw/zinc/56/88/14/447568814.db2.gz ULTMOFCUJZRDED-DLBZAZTESA-N 2 2 337.489 1.275 20 0 EDADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000400190494 447568820 /nfs/dbraw/zinc/56/88/20/447568820.db2.gz ULTMOFCUJZRDED-DLBZAZTESA-N 2 2 337.489 1.275 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407248256 447614155 /nfs/dbraw/zinc/61/41/55/447614155.db2.gz CYQQOUNCRHPRRX-ZWKOTPCHSA-N 2 2 329.444 1.988 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000496062784 447700756 /nfs/dbraw/zinc/70/07/56/447700756.db2.gz FSSDPOPEAQDEGY-ILXRZTDVSA-N 2 2 329.485 1.534 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000496062784 447700762 /nfs/dbraw/zinc/70/07/62/447700762.db2.gz FSSDPOPEAQDEGY-ILXRZTDVSA-N 2 2 329.485 1.534 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000496062784 447700765 /nfs/dbraw/zinc/70/07/65/447700765.db2.gz FSSDPOPEAQDEGY-ILXRZTDVSA-N 2 2 329.485 1.534 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000496062784 447700768 /nfs/dbraw/zinc/70/07/68/447700768.db2.gz FSSDPOPEAQDEGY-ILXRZTDVSA-N 2 2 329.485 1.534 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420173767 447654586 /nfs/dbraw/zinc/65/45/86/447654586.db2.gz RKAUVGFKKVCOTR-CQSZACIVSA-N 2 2 342.443 1.843 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C[NH+]1CCCCC1 ZINC000457931931 447675408 /nfs/dbraw/zinc/67/54/08/447675408.db2.gz MAXKSFAMUVZATO-ZACQAIPSSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C[NH+]1CCCCC1 ZINC000457931931 447675419 /nfs/dbraw/zinc/67/54/19/447675419.db2.gz MAXKSFAMUVZATO-ZACQAIPSSA-N 2 2 338.496 1.271 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1ccc(F)cc1 ZINC000416922480 447709765 /nfs/dbraw/zinc/70/97/65/447709765.db2.gz PJQVLIBFSLCLFB-CABCVRRESA-N 2 2 331.395 1.685 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416923722 447711308 /nfs/dbraw/zinc/71/13/08/447711308.db2.gz WLKRNTNEEIPVII-IUODEOHRSA-N 2 2 333.411 1.803 20 0 EDADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422720493 447727654 /nfs/dbraw/zinc/72/76/54/447727654.db2.gz SMCWTZBTSIGPNI-YSGRDPCXSA-N 2 2 329.488 1.790 20 0 EDADLP C[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422720493 447727658 /nfs/dbraw/zinc/72/76/58/447727658.db2.gz SMCWTZBTSIGPNI-YSGRDPCXSA-N 2 2 329.488 1.790 20 0 EDADLP C[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422720493 447727660 /nfs/dbraw/zinc/72/76/60/447727660.db2.gz SMCWTZBTSIGPNI-YSGRDPCXSA-N 2 2 329.488 1.790 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000459643943 447728718 /nfs/dbraw/zinc/72/87/18/447728718.db2.gz ISJOYLJQWXBDCU-UHFFFAOYSA-N 2 2 339.505 1.947 20 0 EDADLP COc1ccc(CCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC ZINC000422724726 447730047 /nfs/dbraw/zinc/73/00/47/447730047.db2.gz WLHBWDICRWEZAJ-RTBURBONSA-N 2 2 334.460 1.993 20 0 EDADLP CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1(C)C ZINC000451487756 447735903 /nfs/dbraw/zinc/73/59/03/447735903.db2.gz LJTUXEUVMGGACC-KDOFPFPSSA-N 2 2 341.496 1.007 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422752585 447739649 /nfs/dbraw/zinc/73/96/49/447739649.db2.gz BJLYDYGGVYDSJD-MSOLQXFVSA-N 2 2 330.476 1.455 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766277 447744223 /nfs/dbraw/zinc/74/42/23/447744223.db2.gz LSASWJJMCVYGHS-XMTFNYHQSA-N 3 2 325.497 1.090 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766277 447744226 /nfs/dbraw/zinc/74/42/26/447744226.db2.gz LSASWJJMCVYGHS-XMTFNYHQSA-N 3 2 325.497 1.090 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000422839354 447765176 /nfs/dbraw/zinc/76/51/76/447765176.db2.gz ZZADYKJVFXBQSY-CVEARBPZSA-N 3 2 325.497 1.772 20 0 EDADLP COC1(C[C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CCC1 ZINC000429419588 447747220 /nfs/dbraw/zinc/74/72/20/447747220.db2.gz TYOUUDGHOUCXER-GJZGRUSLSA-N 2 2 334.464 1.848 20 0 EDADLP c1cnn(Cc2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000422805880 447754825 /nfs/dbraw/zinc/75/48/25/447754825.db2.gz MNGBUZBUDOSZBQ-RBUKOAKNSA-N 2 2 326.444 1.788 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422843202 447766878 /nfs/dbraw/zinc/76/68/78/447766878.db2.gz HIWRRJAGYDIBEC-PKOBYXMFSA-N 4 2 331.508 1.701 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422914450 447771835 /nfs/dbraw/zinc/77/18/35/447771835.db2.gz UGQLCYOQTDTZHG-QAPCUYQASA-N 3 2 332.492 1.598 20 0 EDADLP CC[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422937145 447777095 /nfs/dbraw/zinc/77/70/95/447777095.db2.gz NNCSWJBMMHAYBQ-IAGOWNOFSA-N 2 2 339.505 1.616 20 0 EDADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422948284 447778936 /nfs/dbraw/zinc/77/89/36/447778936.db2.gz RAIVJLJAJGOGHH-IOASZLSFSA-N 2 2 325.478 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000430558678 447779078 /nfs/dbraw/zinc/77/90/78/447779078.db2.gz QRYWRYWPKLAFEW-HNNXBMFYSA-N 2 2 337.464 1.625 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000430558678 447779083 /nfs/dbraw/zinc/77/90/83/447779083.db2.gz QRYWRYWPKLAFEW-HNNXBMFYSA-N 2 2 337.464 1.625 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC(C)(C)C[NH3+] ZINC000430561417 447779435 /nfs/dbraw/zinc/77/94/35/447779435.db2.gz LJAWHJNSBMFIQL-UHFFFAOYSA-N 2 2 332.448 1.434 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)CC(C)(C)C[NH3+] ZINC000430561417 447779439 /nfs/dbraw/zinc/77/94/39/447779439.db2.gz LJAWHJNSBMFIQL-UHFFFAOYSA-N 2 2 332.448 1.434 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)n(-c2ccccc2F)n1 ZINC000430577782 447780549 /nfs/dbraw/zinc/78/05/49/447780549.db2.gz VGLQRSMOVKJHLR-SFHVURJKSA-N 2 2 345.422 1.975 20 0 EDADLP O=C(C1CCC1)N(CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000422961767 447781529 /nfs/dbraw/zinc/78/15/29/447781529.db2.gz ZVGRYLBZNSXTMD-ROUUACIJSA-N 2 2 335.492 1.524 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422961997 447781677 /nfs/dbraw/zinc/78/16/77/447781677.db2.gz BMQFFGYPLKKXGB-WMLDXEAASA-N 3 2 326.444 1.564 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422961997 447781680 /nfs/dbraw/zinc/78/16/80/447781680.db2.gz BMQFFGYPLKKXGB-WMLDXEAASA-N 3 2 326.444 1.564 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000430593154 447782617 /nfs/dbraw/zinc/78/26/17/447782617.db2.gz DOTRSCYMYABUBM-BEFAXECRSA-N 2 2 330.476 1.346 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000422997491 447788918 /nfs/dbraw/zinc/78/89/18/447788918.db2.gz BLXKOPCYZUCFCG-MELADBBJSA-N 2 2 346.518 1.393 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000423033494 447795557 /nfs/dbraw/zinc/79/55/57/447795557.db2.gz OMQPWVJTFNRXEQ-ATZDWAIDSA-N 3 2 333.476 1.110 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000423033494 447795561 /nfs/dbraw/zinc/79/55/61/447795561.db2.gz OMQPWVJTFNRXEQ-ATZDWAIDSA-N 3 2 333.476 1.110 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000423101249 447805105 /nfs/dbraw/zinc/80/51/05/447805105.db2.gz IKDIHRMJNMWQGO-OFQRWUPVSA-N 2 2 340.489 1.898 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423102248 447805353 /nfs/dbraw/zinc/80/53/53/447805353.db2.gz DSEAFAYYAFZEHC-IAGOWNOFSA-N 2 2 343.427 1.029 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423113544 447807481 /nfs/dbraw/zinc/80/74/81/447807481.db2.gz YLWVSJSSOIYFHU-AAEUAGOBSA-N 2 2 333.354 1.879 20 0 EDADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CC1(C)C ZINC000489425652 447855861 /nfs/dbraw/zinc/85/58/61/447855861.db2.gz MUJILRCLCBIYLR-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CC1(C)C ZINC000489425652 447855866 /nfs/dbraw/zinc/85/58/66/447855866.db2.gz MUJILRCLCBIYLR-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc4cccnn43)CC2)CC1 ZINC000569700238 447871736 /nfs/dbraw/zinc/87/17/36/447871736.db2.gz ZNKOLJCEVSESSD-UHFFFAOYSA-N 2 2 342.447 1.018 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000550305943 447890254 /nfs/dbraw/zinc/89/02/54/447890254.db2.gz LZIZQIBWAHFIIC-HOCLYGCPSA-N 2 2 345.491 1.897 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000550305943 447890261 /nfs/dbraw/zinc/89/02/61/447890261.db2.gz LZIZQIBWAHFIIC-HOCLYGCPSA-N 2 2 345.491 1.897 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000552536053 447953759 /nfs/dbraw/zinc/95/37/59/447953759.db2.gz MEQLUMKOYJHBAA-HNNXBMFYSA-N 2 2 332.448 1.554 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553208612 447978029 /nfs/dbraw/zinc/97/80/29/447978029.db2.gz QWQWOSASSVVYTB-MRXNPFEDSA-N 2 2 339.443 1.873 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(C)n3C3CC3)CC2)CC1 ZINC000570339006 447990946 /nfs/dbraw/zinc/99/09/46/447990946.db2.gz IRLCCDBKFVCRIN-UHFFFAOYSA-N 2 2 332.496 1.918 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(C)n3C3CC3)CC2)CC1 ZINC000570339006 447990949 /nfs/dbraw/zinc/99/09/49/447990949.db2.gz IRLCCDBKFVCRIN-UHFFFAOYSA-N 2 2 332.496 1.918 20 0 EDADLP COCc1nc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000525686633 448011222 /nfs/dbraw/zinc/01/12/22/448011222.db2.gz WHRAAICRYQOVQX-INIZCTEOSA-N 2 2 338.521 1.890 20 0 EDADLP COCc1nc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000525686633 448011225 /nfs/dbraw/zinc/01/12/25/448011225.db2.gz WHRAAICRYQOVQX-INIZCTEOSA-N 2 2 338.521 1.890 20 0 EDADLP C[C@@H](C[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000496849246 447967022 /nfs/dbraw/zinc/96/70/22/447967022.db2.gz SNURSJVXTAXQDI-WMLDXEAASA-N 2 2 329.485 1.678 20 0 EDADLP COC[C@]1(CNC(=O)NCc2cn3c(cccc3C)[nH+]2)CCC[NH2+]1 ZINC000570501000 448026384 /nfs/dbraw/zinc/02/63/84/448026384.db2.gz DOBUXEZIUXHTJU-QGZVFWFLSA-N 2 2 331.420 1.211 20 0 EDADLP CC(C)(NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1[nH]cc[nH+]1 ZINC000570576856 448032239 /nfs/dbraw/zinc/03/22/39/448032239.db2.gz LFHHMFCWRLFVNV-UHFFFAOYSA-N 2 2 342.447 1.368 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC[N@@H+]1C ZINC000499620680 448083893 /nfs/dbraw/zinc/08/38/93/448083893.db2.gz XWLDNGQJQKXMCV-BRWVUGGUSA-N 2 2 330.476 1.953 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC[N@H+]1C ZINC000499620680 448083897 /nfs/dbraw/zinc/08/38/97/448083897.db2.gz XWLDNGQJQKXMCV-BRWVUGGUSA-N 2 2 330.476 1.953 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCC(N[C@@H](c2[nH]cc[nH+]2)c2cccnc2)CC1 ZINC000526075094 448093993 /nfs/dbraw/zinc/09/39/93/448093993.db2.gz JDLRTDVODSCMDR-KZNAEPCWSA-N 2 2 341.459 1.862 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000576611130 448098012 /nfs/dbraw/zinc/09/80/12/448098012.db2.gz PMDDSJOASALZMH-SNVBAGLBSA-N 2 2 347.282 1.295 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000576611130 448098015 /nfs/dbraw/zinc/09/80/15/448098015.db2.gz PMDDSJOASALZMH-SNVBAGLBSA-N 2 2 347.282 1.295 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000570794269 448065420 /nfs/dbraw/zinc/06/54/20/448065420.db2.gz GVWGKFBHNOSKDV-CVYSASLGSA-N 2 2 348.487 1.966 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000576688403 448113319 /nfs/dbraw/zinc/11/33/19/448113319.db2.gz ZGKWJQRTJDMZED-JKSUJKDBSA-N 2 2 331.464 1.902 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556654998 448124818 /nfs/dbraw/zinc/12/48/18/448124818.db2.gz JPNWTNZLFNUMNW-MRXNPFEDSA-N 2 2 349.479 1.160 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556654998 448124821 /nfs/dbraw/zinc/12/48/21/448124821.db2.gz JPNWTNZLFNUMNW-MRXNPFEDSA-N 2 2 349.479 1.160 20 0 EDADLP C[C@@]1(NC(=O)NCCn2cc[nH+]c2)CC[N@H+](Cc2ccccc2)C1 ZINC000576758671 448132842 /nfs/dbraw/zinc/13/28/42/448132842.db2.gz BRQFWPYFCAUCIY-GOSISDBHSA-N 2 2 327.432 1.847 20 0 EDADLP C[C@@]1(NC(=O)NCCn2cc[nH+]c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000576758671 448132845 /nfs/dbraw/zinc/13/28/45/448132845.db2.gz BRQFWPYFCAUCIY-GOSISDBHSA-N 2 2 327.432 1.847 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000571354633 448140284 /nfs/dbraw/zinc/14/02/84/448140284.db2.gz HJIBFUZJCHHFBW-UHFFFAOYSA-N 2 2 336.386 1.831 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)/C=C/C[NH+](C)C)c2cccs2)CC1 ZINC000491882284 448143488 /nfs/dbraw/zinc/14/34/88/448143488.db2.gz INHVDEKNHKQDQW-SZTZYQKNSA-N 2 2 336.505 1.271 20 0 EDADLP O=C(Cn1cc[nH+]c1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000571705320 448195010 /nfs/dbraw/zinc/19/50/10/448195010.db2.gz RYDMFGFVDGAVOF-UHFFFAOYSA-N 2 2 328.416 1.726 20 0 EDADLP Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577044301 448198591 /nfs/dbraw/zinc/19/85/91/448198591.db2.gz KKQOFJQMFKNGSY-HNNXBMFYSA-N 2 2 328.420 1.287 20 0 EDADLP Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577044301 448198593 /nfs/dbraw/zinc/19/85/93/448198593.db2.gz KKQOFJQMFKNGSY-HNNXBMFYSA-N 2 2 328.420 1.287 20 0 EDADLP COc1cncc(/C=C\C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000492442390 448216070 /nfs/dbraw/zinc/21/60/70/448216070.db2.gz OQAMLHLPIUPKGU-WAYWQWQTSA-N 2 2 346.475 1.588 20 0 EDADLP COc1cncc(/C=C\C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000492442390 448216075 /nfs/dbraw/zinc/21/60/75/448216075.db2.gz OQAMLHLPIUPKGU-WAYWQWQTSA-N 2 2 346.475 1.588 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H](C)O1)[NH+](C)C ZINC000527536309 448250877 /nfs/dbraw/zinc/25/08/77/448250877.db2.gz WAIJMNWDVAPHNJ-LXZKKBNFSA-N 2 2 335.448 1.133 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H](C)O1)[NH+](C)C ZINC000527536309 448250883 /nfs/dbraw/zinc/25/08/83/448250883.db2.gz WAIJMNWDVAPHNJ-LXZKKBNFSA-N 2 2 335.448 1.133 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082910 448256862 /nfs/dbraw/zinc/25/68/62/448256862.db2.gz KXKBTAAPOFAVKB-CJNGLKHVSA-N 2 2 341.415 1.646 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591082910 448256868 /nfs/dbraw/zinc/25/68/68/448256868.db2.gz KXKBTAAPOFAVKB-CJNGLKHVSA-N 2 2 341.415 1.646 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000515522622 448325781 /nfs/dbraw/zinc/32/57/81/448325781.db2.gz ATXGDNBLBIGHHA-HNNXBMFYSA-N 2 2 343.431 1.768 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000577669645 448354460 /nfs/dbraw/zinc/35/44/60/448354460.db2.gz VVKPAAGXRASMAK-UHFFFAOYSA-N 2 2 342.447 1.527 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000572381870 448365866 /nfs/dbraw/zinc/36/58/66/448365866.db2.gz PJYHKEAYROFZLF-JTDSTZFVSA-N 2 2 345.491 1.797 20 0 EDADLP CCCCn1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)n1 ZINC000572393420 448367427 /nfs/dbraw/zinc/36/74/27/448367427.db2.gz JGTTZAORKIASMT-MPGHIAIKSA-N 2 2 338.496 1.551 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000582749890 448327794 /nfs/dbraw/zinc/32/77/94/448327794.db2.gz VVKBVXMPZIBGRR-ZDUSSCGKSA-N 2 2 331.420 1.509 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000582749890 448327796 /nfs/dbraw/zinc/32/77/96/448327796.db2.gz VVKBVXMPZIBGRR-ZDUSSCGKSA-N 2 2 331.420 1.509 20 0 EDADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000572263890 448331272 /nfs/dbraw/zinc/33/12/72/448331272.db2.gz ACMRPZVDOIENFS-BZUAXINKSA-N 2 2 332.448 1.495 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CC[NH+]2CCC(OC)CC2)CC[NH2+]CC1 ZINC000591568428 448392082 /nfs/dbraw/zinc/39/20/82/448392082.db2.gz CBDKNMDZUASVOE-HNNXBMFYSA-N 3 2 341.496 1.008 20 0 EDADLP COc1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1OC(C)C ZINC000577887041 448412723 /nfs/dbraw/zinc/41/27/23/448412723.db2.gz BIVULXRSHOZUOL-CABCVRRESA-N 2 2 333.432 1.226 20 0 EDADLP COc1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1OC(C)C ZINC000577887041 448412727 /nfs/dbraw/zinc/41/27/27/448412727.db2.gz BIVULXRSHOZUOL-CABCVRRESA-N 2 2 333.432 1.226 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566200338 448413584 /nfs/dbraw/zinc/41/35/84/448413584.db2.gz PXDMROYLNVLHLX-KRWDZBQOSA-N 2 2 341.459 1.133 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566200338 448413591 /nfs/dbraw/zinc/41/35/91/448413591.db2.gz PXDMROYLNVLHLX-KRWDZBQOSA-N 2 2 341.459 1.133 20 0 EDADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000572454526 448381104 /nfs/dbraw/zinc/38/11/04/448381104.db2.gz IARQLYDIWSXIJM-BQJWPVKWSA-N 2 2 328.497 1.638 20 0 EDADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000572454526 448381105 /nfs/dbraw/zinc/38/11/05/448381105.db2.gz IARQLYDIWSXIJM-BQJWPVKWSA-N 2 2 328.497 1.638 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000572732108 448451596 /nfs/dbraw/zinc/45/15/96/448451596.db2.gz SCGZBJHZXZOANC-INMHGKMJSA-N 2 2 336.476 1.942 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000572732108 448451602 /nfs/dbraw/zinc/45/16/02/448451602.db2.gz SCGZBJHZXZOANC-INMHGKMJSA-N 2 2 336.476 1.942 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000572732108 448451605 /nfs/dbraw/zinc/45/16/05/448451605.db2.gz SCGZBJHZXZOANC-INMHGKMJSA-N 2 2 336.476 1.942 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000572732108 448451613 /nfs/dbraw/zinc/45/16/13/448451613.db2.gz SCGZBJHZXZOANC-INMHGKMJSA-N 2 2 336.476 1.942 20 0 EDADLP Cc1[nH+]cc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000566498907 448493605 /nfs/dbraw/zinc/49/36/05/448493605.db2.gz JFKQCTSORNGSLU-PKOBYXMFSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1[nH+]cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000566498907 448493607 /nfs/dbraw/zinc/49/36/07/448493607.db2.gz JFKQCTSORNGSLU-PKOBYXMFSA-N 2 2 328.460 1.701 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000566547621 448503837 /nfs/dbraw/zinc/50/38/37/448503837.db2.gz PVXWOJZOOORHFW-MRXNPFEDSA-N 2 2 341.459 1.879 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000566547621 448503846 /nfs/dbraw/zinc/50/38/46/448503846.db2.gz PVXWOJZOOORHFW-MRXNPFEDSA-N 2 2 341.459 1.879 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000591865359 448508390 /nfs/dbraw/zinc/50/83/90/448508390.db2.gz WSWJYWZWUMFYQY-HKUYNNGSSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591865359 448508395 /nfs/dbraw/zinc/50/83/95/448508395.db2.gz WSWJYWZWUMFYQY-HKUYNNGSSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C ZINC000578334032 448520342 /nfs/dbraw/zinc/52/03/42/448520342.db2.gz OIWFHRZFKBMXPX-XYJFISCASA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C ZINC000578334032 448520348 /nfs/dbraw/zinc/52/03/48/448520348.db2.gz OIWFHRZFKBMXPX-XYJFISCASA-N 2 2 346.475 1.279 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)Cc1ccccc1 ZINC000566800302 448562993 /nfs/dbraw/zinc/56/29/93/448562993.db2.gz WUZOZTZGNPPLCD-FUHWJXTLSA-N 2 2 326.444 1.735 20 0 EDADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCN1c1nccn2cnnc12 ZINC000578450505 448549982 /nfs/dbraw/zinc/54/99/82/448549982.db2.gz CSPMJGDSZPBYAQ-CQSZACIVSA-N 2 2 340.435 1.001 20 0 EDADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCN1c1nccn2cnnc12 ZINC000578450505 448549984 /nfs/dbraw/zinc/54/99/84/448549984.db2.gz CSPMJGDSZPBYAQ-CQSZACIVSA-N 2 2 340.435 1.001 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537213180 448552896 /nfs/dbraw/zinc/55/28/96/448552896.db2.gz XNNLZTNLPGJLRG-SJLPKXTDSA-N 2 2 344.459 1.270 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537213180 448552902 /nfs/dbraw/zinc/55/29/02/448552902.db2.gz XNNLZTNLPGJLRG-SJLPKXTDSA-N 2 2 344.459 1.270 20 0 EDADLP C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000567102806 448613421 /nfs/dbraw/zinc/61/34/21/448613421.db2.gz MLHIIBLFPSUMSX-BPQIPLTHSA-N 2 2 331.460 1.187 20 0 EDADLP COc1ccc(COC[C@@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000578725781 448618030 /nfs/dbraw/zinc/61/80/30/448618030.db2.gz FIAWSHKURAGQKY-INIZCTEOSA-N 2 2 348.447 1.162 20 0 EDADLP C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000566960711 448591724 /nfs/dbraw/zinc/59/17/24/448591724.db2.gz UODOTEXHTQPYJC-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NCC1=CC[N@H+](C)CC1)C(F)(F)F ZINC000573337751 448602606 /nfs/dbraw/zinc/60/26/06/448602606.db2.gz YOPRHHNBGRXOBO-GFCCVEGCSA-N 2 2 330.354 1.834 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NCC1=CC[N@@H+](C)CC1)C(F)(F)F ZINC000573337751 448602610 /nfs/dbraw/zinc/60/26/10/448602610.db2.gz YOPRHHNBGRXOBO-GFCCVEGCSA-N 2 2 330.354 1.834 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(-c3ccccc3)ns2)[C@@H](C[NH3+])C1 ZINC000573579312 448664251 /nfs/dbraw/zinc/66/42/51/448664251.db2.gz FKFNEKRIAPJXSM-ZDUSSCGKSA-N 2 2 331.445 1.917 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(-c3ccccc3)ns2)[C@@H](C[NH3+])C1 ZINC000573579312 448664253 /nfs/dbraw/zinc/66/42/53/448664253.db2.gz FKFNEKRIAPJXSM-ZDUSSCGKSA-N 2 2 331.445 1.917 20 0 EDADLP CC(C)O[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000573601071 448668902 /nfs/dbraw/zinc/66/89/02/448668902.db2.gz FQKLBQLYUBMSJJ-MRXNPFEDSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC2(CCO2)CC1 ZINC000578908198 448669263 /nfs/dbraw/zinc/66/92/63/448669263.db2.gz ZVYCPTRRFLGCNB-INIZCTEOSA-N 2 2 344.459 1.374 20 0 EDADLP CN(C(=O)[C@H]([NH3+])c1cscn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567344858 448670309 /nfs/dbraw/zinc/67/03/09/448670309.db2.gz FMBWLVKACXUBHR-GDBMZVCRSA-N 2 2 330.457 1.876 20 0 EDADLP CN(C(=O)[C@H]([NH3+])c1cscn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567344858 448670314 /nfs/dbraw/zinc/67/03/14/448670314.db2.gz FMBWLVKACXUBHR-GDBMZVCRSA-N 2 2 330.457 1.876 20 0 EDADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000578943161 448673376 /nfs/dbraw/zinc/67/33/76/448673376.db2.gz WRIODYMIXYBCFM-KRWDZBQOSA-N 2 2 346.475 1.470 20 0 EDADLP C[C@H](c1ccc(NC[C@H](O)C[NH+]2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000578759850 448628598 /nfs/dbraw/zinc/62/85/98/448628598.db2.gz MVDYTHJMDDETIV-APWZRJJASA-N 2 2 349.475 1.185 20 0 EDADLP C[C@H](c1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000578759853 448629230 /nfs/dbraw/zinc/62/92/30/448629230.db2.gz MVDYTHJMDDETIV-VQIMIIECSA-N 2 2 349.475 1.185 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000573445735 448630302 /nfs/dbraw/zinc/63/03/02/448630302.db2.gz SSENTGKVIZWVKH-HNNXBMFYSA-N 2 2 337.439 1.899 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000573445735 448630307 /nfs/dbraw/zinc/63/03/07/448630307.db2.gz SSENTGKVIZWVKH-HNNXBMFYSA-N 2 2 337.439 1.899 20 0 EDADLP CC[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccn(C)n1 ZINC000541779485 448692882 /nfs/dbraw/zinc/69/28/82/448692882.db2.gz VQXYIYPEOUGVOW-ZFWWWQNUSA-N 2 2 330.436 1.386 20 0 EDADLP C[NH+]1CCN(c2nc3ccccc3nc2N2CCn3c[nH+]cc3C2)CC1 ZINC000579062280 448702354 /nfs/dbraw/zinc/70/23/54/448702354.db2.gz MJFYLHCUSSKOJE-UHFFFAOYSA-N 2 2 349.442 1.598 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2csc(-c3ccco3)n2)[C@H](C[NH3+])C1 ZINC000518735621 448703909 /nfs/dbraw/zinc/70/39/09/448703909.db2.gz PDMDEKGMLQGOJU-GFCCVEGCSA-N 2 2 335.433 1.187 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2csc(-c3ccco3)n2)[C@H](C[NH3+])C1 ZINC000518735621 448703915 /nfs/dbraw/zinc/70/39/15/448703915.db2.gz PDMDEKGMLQGOJU-GFCCVEGCSA-N 2 2 335.433 1.187 20 0 EDADLP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCOCC1)n1cc[nH+]c1 ZINC000567593697 448719338 /nfs/dbraw/zinc/71/93/38/448719338.db2.gz DQJDALPFOIRQIU-INIZCTEOSA-N 2 2 334.464 1.986 20 0 EDADLP C[C@H](CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000579117607 448720440 /nfs/dbraw/zinc/72/04/40/448720440.db2.gz NCEVVLNKABMADJ-APWZRJJASA-N 2 2 342.443 1.587 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000592092636 448676313 /nfs/dbraw/zinc/67/63/13/448676313.db2.gz AVZWGNOJBLJCSF-HNNXBMFYSA-N 2 2 330.432 1.412 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000592092636 448676317 /nfs/dbraw/zinc/67/63/17/448676317.db2.gz AVZWGNOJBLJCSF-HNNXBMFYSA-N 2 2 330.432 1.412 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000578980707 448684054 /nfs/dbraw/zinc/68/40/54/448684054.db2.gz OEQMZAUJNNCWMU-HZPDHXFCSA-N 2 2 348.495 1.706 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000585740600 448753271 /nfs/dbraw/zinc/75/32/71/448753271.db2.gz ZWJUELSNKOCWJS-UHFFFAOYSA-N 2 2 340.431 1.057 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529293752 448810248 /nfs/dbraw/zinc/81/02/48/448810248.db2.gz ZGBGHEXQEXZKAS-HOCLYGCPSA-N 2 2 335.452 1.072 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000568163326 448824395 /nfs/dbraw/zinc/82/43/95/448824395.db2.gz URVBJADJIJDJLF-IHRRRGAJSA-N 2 2 335.448 1.693 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000568163326 448824400 /nfs/dbraw/zinc/82/44/00/448824400.db2.gz URVBJADJIJDJLF-IHRRRGAJSA-N 2 2 335.448 1.693 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592413267 448827448 /nfs/dbraw/zinc/82/74/48/448827448.db2.gz QYTHIONPQBXJTD-ZWKOTPCHSA-N 2 2 342.443 1.402 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000568166677 448827882 /nfs/dbraw/zinc/82/78/82/448827882.db2.gz PZYJENTVQQOMSD-GOEBONIOSA-N 2 2 340.427 1.849 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000568166677 448827886 /nfs/dbraw/zinc/82/78/86/448827886.db2.gz PZYJENTVQQOMSD-GOEBONIOSA-N 2 2 340.427 1.849 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000519802855 448846286 /nfs/dbraw/zinc/84/62/86/448846286.db2.gz HFUNPAMFAHPIEZ-SFHVURJKSA-N 2 2 334.460 1.520 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000529368812 448843659 /nfs/dbraw/zinc/84/36/59/448843659.db2.gz VQQFHYCOGSTWBV-OAHLLOKOSA-N 2 2 349.504 1.645 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000529368812 448843662 /nfs/dbraw/zinc/84/36/62/448843662.db2.gz VQQFHYCOGSTWBV-OAHLLOKOSA-N 2 2 349.504 1.645 20 0 EDADLP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000579792287 448875233 /nfs/dbraw/zinc/87/52/33/448875233.db2.gz YTCVRUAPYVVKDQ-AWEZNQCLSA-N 2 2 342.447 1.938 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568487751 448878158 /nfs/dbraw/zinc/87/81/58/448878158.db2.gz AISMPNSISXLHJS-ZIAGYGMSSA-N 2 2 341.415 1.121 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000592760694 448974515 /nfs/dbraw/zinc/97/45/15/448974515.db2.gz GUWZDVJTWFEOMO-DLBZAZTESA-N 2 2 347.507 1.635 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC000529836641 448978790 /nfs/dbraw/zinc/97/87/90/448978790.db2.gz QWZMVQFSKPBSDU-WBVHZDCISA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC000529836641 448978794 /nfs/dbraw/zinc/97/87/94/448978794.db2.gz QWZMVQFSKPBSDU-WBVHZDCISA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000529836641 448978800 /nfs/dbraw/zinc/97/88/00/448978800.db2.gz QWZMVQFSKPBSDU-WBVHZDCISA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000529836641 448978805 /nfs/dbraw/zinc/97/88/05/448978805.db2.gz QWZMVQFSKPBSDU-WBVHZDCISA-N 2 2 331.460 1.728 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1S(C)(=O)=O ZINC000548307602 449017482 /nfs/dbraw/zinc/01/74/82/449017482.db2.gz WBYYSZSOQHAYRX-GXTWGEPZSA-N 2 2 349.456 1.961 20 0 EDADLP CCCOc1cccc2c(N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc[nH+]c12 ZINC000582191974 449035913 /nfs/dbraw/zinc/03/59/13/449035913.db2.gz SIFVUASACALUOZ-ZFWWWQNUSA-N 2 2 340.427 1.772 20 0 EDADLP C[N@@H+]1CCO[C@H]([C@@H](NC[C@@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000530222070 449085888 /nfs/dbraw/zinc/08/58/88/449085888.db2.gz FWHJMWMKVAFYLR-IKGGRYGDSA-N 2 2 339.867 1.290 20 0 EDADLP C[N@H+]1CCO[C@H]([C@@H](NC[C@@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000530222070 449085890 /nfs/dbraw/zinc/08/58/90/449085890.db2.gz FWHJMWMKVAFYLR-IKGGRYGDSA-N 2 2 339.867 1.290 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC[C@@H]2CCCC[C@H]2O)C[C@@H](C)O1 ZINC000575180916 449055866 /nfs/dbraw/zinc/05/58/66/449055866.db2.gz HXXAKXFIECKFNJ-UYTYNIKBSA-N 2 2 328.497 1.377 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N[C@H]1CCOc2ccccc21 ZINC000582301404 449060867 /nfs/dbraw/zinc/06/08/67/449060867.db2.gz FFNMREOMBIFSPL-QFBILLFUSA-N 2 2 329.444 1.702 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N[C@H]1CCOc2ccccc21 ZINC000582301404 449060875 /nfs/dbraw/zinc/06/08/75/449060875.db2.gz FFNMREOMBIFSPL-QFBILLFUSA-N 2 2 329.444 1.702 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000530231234 449089414 /nfs/dbraw/zinc/08/94/14/449089414.db2.gz GUWHQKLQTIFGHU-HKUYNNGSSA-N 2 2 338.455 1.643 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000530231234 449089418 /nfs/dbraw/zinc/08/94/18/449089418.db2.gz GUWHQKLQTIFGHU-HKUYNNGSSA-N 2 2 338.455 1.643 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000530241093 449092609 /nfs/dbraw/zinc/09/26/09/449092609.db2.gz BBJSNAZPJHWPML-UHFFFAOYSA-N 2 2 339.443 1.378 20 0 EDADLP CCCOc1cccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000530242872 449092655 /nfs/dbraw/zinc/09/26/55/449092655.db2.gz PMQSFIRYQVKKEH-UHFFFAOYSA-N 2 2 346.475 1.618 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(O)cc3)C2)CC1 ZINC000604166455 449184263 /nfs/dbraw/zinc/18/42/63/449184263.db2.gz WTXMCHGDNHZCPA-OAHLLOKOSA-N 2 2 332.448 1.360 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(O)cc3)C2)CC1 ZINC000604166455 449184267 /nfs/dbraw/zinc/18/42/67/449184267.db2.gz WTXMCHGDNHZCPA-OAHLLOKOSA-N 2 2 332.448 1.360 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000600188234 449232804 /nfs/dbraw/zinc/23/28/04/449232804.db2.gz APXYVQNRWPNHKV-MRXNPFEDSA-N 3 2 325.497 1.726 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000600188234 449232810 /nfs/dbraw/zinc/23/28/10/449232810.db2.gz APXYVQNRWPNHKV-MRXNPFEDSA-N 3 2 325.497 1.726 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000600207940 449244084 /nfs/dbraw/zinc/24/40/84/449244084.db2.gz FLBBAZXAWVIMNG-UHFFFAOYSA-N 2 2 349.475 1.889 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(I)c1 ZINC000593903226 449274463 /nfs/dbraw/zinc/27/44/63/449274463.db2.gz SJYWGVZYEWGVQU-NSHDSACASA-N 2 2 347.200 1.509 20 0 EDADLP CC[C@H]1CCCC[C@H]1C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000600159369 449220533 /nfs/dbraw/zinc/22/05/33/449220533.db2.gz SIJZOTQXVXONAQ-ROUUACIJSA-N 2 2 339.524 1.925 20 0 EDADLP CC[C@H]1CCCC[C@H]1C[N@@H+](CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000600159369 449220537 /nfs/dbraw/zinc/22/05/37/449220537.db2.gz SIJZOTQXVXONAQ-ROUUACIJSA-N 2 2 339.524 1.925 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)N3CCC4(C[NH+](C)C4)C3)cc2)CC1 ZINC000614038794 449425628 /nfs/dbraw/zinc/42/56/28/449425628.db2.gz CLUSWKVKULILKM-UHFFFAOYSA-N 2 2 342.487 1.212 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000602199030 449427648 /nfs/dbraw/zinc/42/76/48/449427648.db2.gz DLVRYCVEDQJHDC-HNNXBMFYSA-N 2 2 348.466 1.790 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000602199030 449427652 /nfs/dbraw/zinc/42/76/52/449427652.db2.gz DLVRYCVEDQJHDC-HNNXBMFYSA-N 2 2 348.466 1.790 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnc(C4CC4)n3)C2)CC1 ZINC000602206324 449433444 /nfs/dbraw/zinc/43/34/44/449433444.db2.gz WCGYTXANMUKQKA-CQSZACIVSA-N 2 2 329.448 1.252 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnc(C4CC4)n3)C2)CC1 ZINC000602206324 449433449 /nfs/dbraw/zinc/43/34/49/449433449.db2.gz WCGYTXANMUKQKA-CQSZACIVSA-N 2 2 329.448 1.252 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccnc(C(=O)OC)n3)CC2)CC1 ZINC000596276851 449451611 /nfs/dbraw/zinc/45/16/11/449451611.db2.gz FXCXJCOGOKZZDI-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3ccnc(C(=O)OC)n3)CC2)CC1 ZINC000596276851 449451614 /nfs/dbraw/zinc/45/16/14/449451614.db2.gz FXCXJCOGOKZZDI-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000606419485 449463428 /nfs/dbraw/zinc/46/34/28/449463428.db2.gz ARTKUYOLHIAOOY-LJQANCHMSA-N 2 2 344.503 1.751 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000606419485 449463431 /nfs/dbraw/zinc/46/34/31/449463431.db2.gz ARTKUYOLHIAOOY-LJQANCHMSA-N 2 2 344.503 1.751 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614131231 449473886 /nfs/dbraw/zinc/47/38/86/449473886.db2.gz DBZSBRKUHXYJMC-KGLIPLIRSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614131231 449473893 /nfs/dbraw/zinc/47/38/93/449473893.db2.gz DBZSBRKUHXYJMC-KGLIPLIRSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614131231 449473899 /nfs/dbraw/zinc/47/38/99/449473899.db2.gz DBZSBRKUHXYJMC-KGLIPLIRSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614131231 449473904 /nfs/dbraw/zinc/47/39/04/449473904.db2.gz DBZSBRKUHXYJMC-KGLIPLIRSA-N 2 2 332.448 1.226 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3Cc4cc(F)ccc4O3)C2)CC1 ZINC000607114876 449573236 /nfs/dbraw/zinc/57/32/36/449573236.db2.gz QKQSOOVGTKTALJ-YJBOKZPZSA-N 2 2 347.434 1.414 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3Cc4cc(F)ccc4O3)C2)CC1 ZINC000607114876 449573241 /nfs/dbraw/zinc/57/32/41/449573241.db2.gz QKQSOOVGTKTALJ-YJBOKZPZSA-N 2 2 347.434 1.414 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000600952700 449614182 /nfs/dbraw/zinc/61/41/82/449614182.db2.gz CESDUDUNWBJANB-GOSISDBHSA-N 2 2 330.476 1.857 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000600952700 449614184 /nfs/dbraw/zinc/61/41/84/449614184.db2.gz CESDUDUNWBJANB-GOSISDBHSA-N 2 2 330.476 1.857 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000600952700 449614189 /nfs/dbraw/zinc/61/41/89/449614189.db2.gz CESDUDUNWBJANB-GOSISDBHSA-N 2 2 330.476 1.857 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000600952700 449614192 /nfs/dbraw/zinc/61/41/92/449614192.db2.gz CESDUDUNWBJANB-GOSISDBHSA-N 2 2 330.476 1.857 20 0 EDADLP Cc1ccc(-c2nc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cs2)cc1 ZINC000594737069 449658047 /nfs/dbraw/zinc/65/80/47/449658047.db2.gz XUTIFWGZIBGELO-JKSUJKDBSA-N 2 2 342.468 1.862 20 0 EDADLP Cc1ccc(-c2nc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cs2)cc1 ZINC000594737069 449658051 /nfs/dbraw/zinc/65/80/51/449658051.db2.gz XUTIFWGZIBGELO-JKSUJKDBSA-N 2 2 342.468 1.862 20 0 EDADLP CCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OCC ZINC000594738151 449658560 /nfs/dbraw/zinc/65/85/60/449658560.db2.gz AYRWPVDIHPLXOV-CVEARBPZSA-N 2 2 347.459 1.618 20 0 EDADLP CCCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OCC ZINC000594738151 449658565 /nfs/dbraw/zinc/65/85/65/449658565.db2.gz AYRWPVDIHPLXOV-CVEARBPZSA-N 2 2 347.459 1.618 20 0 EDADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599007275 449695254 /nfs/dbraw/zinc/69/52/54/449695254.db2.gz CTSQFTAZICUFLW-CYBMUJFWSA-N 2 2 348.399 1.384 20 0 EDADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599007275 449695259 /nfs/dbraw/zinc/69/52/59/449695259.db2.gz CTSQFTAZICUFLW-CYBMUJFWSA-N 2 2 348.399 1.384 20 0 EDADLP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602751202 449786096 /nfs/dbraw/zinc/78/60/96/449786096.db2.gz UMLJVIMDFLPYPF-RDJZCZTQSA-N 2 2 345.443 1.233 20 0 EDADLP COC(=O)CNC(=O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602751202 449786100 /nfs/dbraw/zinc/78/61/00/449786100.db2.gz UMLJVIMDFLPYPF-RDJZCZTQSA-N 2 2 345.443 1.233 20 0 EDADLP CCOC(=O)C1(C)CC([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000601267740 449787232 /nfs/dbraw/zinc/78/72/32/449787232.db2.gz SPDOQJUGBFGHCF-SWKXRBFHSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)C1(C)CC([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000601267740 449787238 /nfs/dbraw/zinc/78/72/38/449787238.db2.gz SPDOQJUGBFGHCF-SWKXRBFHSA-N 2 2 339.480 1.251 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614664386 449749179 /nfs/dbraw/zinc/74/91/79/449749179.db2.gz UBCPPLCULHLQFA-RBSFLKMASA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614664386 449749182 /nfs/dbraw/zinc/74/91/82/449749182.db2.gz UBCPPLCULHLQFA-RBSFLKMASA-N 2 2 335.452 1.271 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614671399 449752538 /nfs/dbraw/zinc/75/25/38/449752538.db2.gz GSYRDSDNCYQDOI-UHFFFAOYSA-N 2 2 333.461 1.963 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(F)cccc1-n1cccn1 ZINC000617762031 449821079 /nfs/dbraw/zinc/82/10/79/449821079.db2.gz FSRNSDZQDZGRHF-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(F)cccc1-n1cccn1 ZINC000617762031 449821084 /nfs/dbraw/zinc/82/10/84/449821084.db2.gz FSRNSDZQDZGRHF-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP Cn1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C(F)(F)F ZINC000617767136 449831083 /nfs/dbraw/zinc/83/10/83/449831083.db2.gz IHWFIIGCAYLVMV-UHFFFAOYSA-N 2 2 335.374 1.052 20 0 EDADLP Cn1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C(F)(F)F ZINC000617767136 449831088 /nfs/dbraw/zinc/83/10/88/449831088.db2.gz IHWFIIGCAYLVMV-UHFFFAOYSA-N 2 2 335.374 1.052 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(-c2ncccn2)n1 ZINC000617767102 449831187 /nfs/dbraw/zinc/83/11/87/449831187.db2.gz HBVYSFXZIHNIRN-UHFFFAOYSA-N 2 2 348.476 1.213 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(-c2ncccn2)n1 ZINC000617767102 449831194 /nfs/dbraw/zinc/83/11/94/449831194.db2.gz HBVYSFXZIHNIRN-UHFFFAOYSA-N 2 2 348.476 1.213 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(OC(F)F)cc1 ZINC000617768934 449833714 /nfs/dbraw/zinc/83/37/14/449833714.db2.gz ZYEDJKLRUYAAMX-UHFFFAOYSA-N 2 2 329.391 1.901 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(OC(F)F)cc1 ZINC000617768934 449833717 /nfs/dbraw/zinc/83/37/17/449833717.db2.gz ZYEDJKLRUYAAMX-UHFFFAOYSA-N 2 2 329.391 1.901 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000601327405 449834617 /nfs/dbraw/zinc/83/46/17/449834617.db2.gz VNUWVJQJQUEOKP-NWDGAFQWSA-N 2 2 339.461 1.698 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000601327405 449834624 /nfs/dbraw/zinc/83/46/24/449834624.db2.gz VNUWVJQJQUEOKP-NWDGAFQWSA-N 2 2 339.461 1.698 20 0 EDADLP COC(=O)[C@H](c1cccc(OC)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000601327068 449835022 /nfs/dbraw/zinc/83/50/22/449835022.db2.gz YOAGIVATXKDHOZ-SQNIBIBYSA-N 2 2 348.443 1.738 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333163 449841340 /nfs/dbraw/zinc/84/13/40/449841340.db2.gz BQBMZTCTVYTARC-XHSDSOJGSA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333163 449841343 /nfs/dbraw/zinc/84/13/43/449841343.db2.gz BQBMZTCTVYTARC-XHSDSOJGSA-N 2 2 337.464 1.005 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000608501053 449860331 /nfs/dbraw/zinc/86/03/31/449860331.db2.gz NDHUSAUYLZKLMJ-IBGZPJMESA-N 2 2 345.487 1.969 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000608501053 449860335 /nfs/dbraw/zinc/86/03/35/449860335.db2.gz NDHUSAUYLZKLMJ-IBGZPJMESA-N 2 2 345.487 1.969 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000608615545 449888129 /nfs/dbraw/zinc/88/81/29/449888129.db2.gz URPGENKRQOMLAI-INIZCTEOSA-N 2 2 331.460 1.590 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc2c(c1)CCCO2 ZINC000612939222 449948556 /nfs/dbraw/zinc/94/85/56/449948556.db2.gz RJOXMSGWQYYABW-XJKSGUPXSA-N 2 2 332.448 1.357 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000615109202 449961659 /nfs/dbraw/zinc/96/16/59/449961659.db2.gz RITQDHKGCQEAAB-QAPCUYQASA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000615109202 449961665 /nfs/dbraw/zinc/96/16/65/449961665.db2.gz RITQDHKGCQEAAB-QAPCUYQASA-N 2 2 340.427 1.651 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612989396 449974155 /nfs/dbraw/zinc/97/41/55/449974155.db2.gz JWWUFBIYGFFXLI-MRXNPFEDSA-N 2 2 329.448 1.364 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258130 449986155 /nfs/dbraw/zinc/98/61/55/449986155.db2.gz MPZRDNXXTSBYND-QWRGUYRKSA-N 2 2 347.341 1.297 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258130 449986161 /nfs/dbraw/zinc/98/61/61/449986161.db2.gz MPZRDNXXTSBYND-QWRGUYRKSA-N 2 2 347.341 1.297 20 0 EDADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000615307992 450055613 /nfs/dbraw/zinc/05/56/13/450055613.db2.gz JYORBNRVHMWWOG-CRAIPNDOSA-N 2 2 331.460 1.683 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC(=O)NC1CCCCC1)C2 ZINC000595504410 450192636 /nfs/dbraw/zinc/19/26/36/450192636.db2.gz ITQHQGLCVXAZIE-GOSISDBHSA-N 2 2 336.480 1.563 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC(=O)NC1CCCCC1)C2 ZINC000595504410 450192639 /nfs/dbraw/zinc/19/26/39/450192639.db2.gz ITQHQGLCVXAZIE-GOSISDBHSA-N 2 2 336.480 1.563 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC(=O)NC1CCCCC1)C2 ZINC000595504410 450192642 /nfs/dbraw/zinc/19/26/42/450192642.db2.gz ITQHQGLCVXAZIE-GOSISDBHSA-N 2 2 336.480 1.563 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C2 ZINC000595504410 450192643 /nfs/dbraw/zinc/19/26/43/450192643.db2.gz ITQHQGLCVXAZIE-GOSISDBHSA-N 2 2 336.480 1.563 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603596284 450331331 /nfs/dbraw/zinc/33/13/31/450331331.db2.gz ILONIVMQNDYDCU-CQSZACIVSA-N 2 2 345.451 1.078 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000620158879 450443812 /nfs/dbraw/zinc/44/38/12/450443812.db2.gz CSNLAWWEBGJMOC-MRXNPFEDSA-N 3 2 332.423 1.866 20 0 EDADLP [NH3+]CCCOCCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000625850538 450521017 /nfs/dbraw/zinc/52/10/17/450521017.db2.gz WCDYGKLZTWQTFO-UHFFFAOYSA-N 2 2 336.436 1.006 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000623465163 450525400 /nfs/dbraw/zinc/52/54/00/450525400.db2.gz CTYKQKCMNHWFTA-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000623465163 450525402 /nfs/dbraw/zinc/52/54/02/450525402.db2.gz CTYKQKCMNHWFTA-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000620772923 450541827 /nfs/dbraw/zinc/54/18/27/450541827.db2.gz QNXYJDSPXBNLNT-IAGOWNOFSA-N 2 2 333.501 1.814 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000620772923 450541829 /nfs/dbraw/zinc/54/18/29/450541829.db2.gz QNXYJDSPXBNLNT-IAGOWNOFSA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000620772923 450541832 /nfs/dbraw/zinc/54/18/32/450541832.db2.gz QNXYJDSPXBNLNT-IAGOWNOFSA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000620772923 450541835 /nfs/dbraw/zinc/54/18/35/450541835.db2.gz QNXYJDSPXBNLNT-IAGOWNOFSA-N 2 2 333.501 1.814 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000623565989 450544341 /nfs/dbraw/zinc/54/43/41/450544341.db2.gz AWQOOYIPBHDKTQ-IAGOWNOFSA-N 2 2 334.464 1.228 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)[NH+](C)C)cc1 ZINC000623565989 450544344 /nfs/dbraw/zinc/54/43/44/450544344.db2.gz AWQOOYIPBHDKTQ-IAGOWNOFSA-N 2 2 334.464 1.228 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000623618875 450553008 /nfs/dbraw/zinc/55/30/08/450553008.db2.gz IDUPJBOPGVDVOX-WDSOQIARSA-N 2 2 344.503 1.436 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000623618875 450553010 /nfs/dbraw/zinc/55/30/10/450553010.db2.gz IDUPJBOPGVDVOX-WDSOQIARSA-N 2 2 344.503 1.436 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618875 450553011 /nfs/dbraw/zinc/55/30/11/450553011.db2.gz IDUPJBOPGVDVOX-WDSOQIARSA-N 2 2 344.503 1.436 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618875 450553013 /nfs/dbraw/zinc/55/30/13/450553013.db2.gz IDUPJBOPGVDVOX-WDSOQIARSA-N 2 2 344.503 1.436 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000623620922 450553730 /nfs/dbraw/zinc/55/37/30/450553730.db2.gz HNRGGTBNINKJDX-BZUAXINKSA-N 2 2 348.491 1.758 20 0 EDADLP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000620907274 450559183 /nfs/dbraw/zinc/55/91/83/450559183.db2.gz KUFXBLFURBCJEV-NVXWUHKLSA-N 2 2 346.475 1.547 20 0 EDADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000623657712 450561549 /nfs/dbraw/zinc/56/15/49/450561549.db2.gz XGKLIPUAYQGQSY-GFCCVEGCSA-N 2 2 329.441 1.295 20 0 EDADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000623657712 450561550 /nfs/dbraw/zinc/56/15/50/450561550.db2.gz XGKLIPUAYQGQSY-GFCCVEGCSA-N 2 2 329.441 1.295 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000626087108 450572742 /nfs/dbraw/zinc/57/27/42/450572742.db2.gz CENPBVBSDAPIGX-QGZVFWFLSA-N 2 2 337.508 1.964 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000621108254 450581810 /nfs/dbraw/zinc/58/18/10/450581810.db2.gz WUVIBXSMJNIBNP-KRWDZBQOSA-N 2 2 335.492 1.480 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000621108254 450581811 /nfs/dbraw/zinc/58/18/11/450581811.db2.gz WUVIBXSMJNIBNP-KRWDZBQOSA-N 2 2 335.492 1.480 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)CC2 ZINC000626242846 450642711 /nfs/dbraw/zinc/64/27/11/450642711.db2.gz ZXXGYOJESVTEHT-MRXNPFEDSA-N 2 2 348.491 1.571 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000626294763 450670473 /nfs/dbraw/zinc/67/04/73/450670473.db2.gz FTPBFRDWBFEWFR-UHFFFAOYSA-N 2 2 333.480 1.209 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000626294763 450670479 /nfs/dbraw/zinc/67/04/79/450670479.db2.gz FTPBFRDWBFEWFR-UHFFFAOYSA-N 2 2 333.480 1.209 20 0 EDADLP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000627366418 450679375 /nfs/dbraw/zinc/67/93/75/450679375.db2.gz RBCSCJVHIAKZBK-OAHLLOKOSA-N 2 2 325.416 1.602 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCc2[nH+]c[nH]c2C1 ZINC000627366418 450679377 /nfs/dbraw/zinc/67/93/77/450679377.db2.gz RBCSCJVHIAKZBK-OAHLLOKOSA-N 2 2 325.416 1.602 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000635141247 450687229 /nfs/dbraw/zinc/68/72/29/450687229.db2.gz PQDQDIDMLMQAMJ-FUHWJXTLSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000635141247 450687233 /nfs/dbraw/zinc/68/72/33/450687233.db2.gz PQDQDIDMLMQAMJ-FUHWJXTLSA-N 2 2 331.460 1.518 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000633136584 450705815 /nfs/dbraw/zinc/70/58/15/450705815.db2.gz JGTKCKBWUISKNX-JKSUJKDBSA-N 2 2 331.464 1.642 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000633136584 450705818 /nfs/dbraw/zinc/70/58/18/450705818.db2.gz JGTKCKBWUISKNX-JKSUJKDBSA-N 2 2 331.464 1.642 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)C12CCC[NH+](CCC1)C2 ZINC000635164750 450709262 /nfs/dbraw/zinc/70/92/62/450709262.db2.gz LJDCUPYXKHPHQW-UHFFFAOYSA-N 2 2 344.459 1.410 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@H]3CC3(F)F)C2)CC1 ZINC000621422475 450721072 /nfs/dbraw/zinc/72/10/72/450721072.db2.gz SEONATSHPFFXIZ-STQMWFEESA-N 2 2 330.423 1.499 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@H]3CC3(F)F)C2)CC1 ZINC000621422475 450721082 /nfs/dbraw/zinc/72/10/82/450721082.db2.gz SEONATSHPFFXIZ-STQMWFEESA-N 2 2 330.423 1.499 20 0 EDADLP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)nnn1-c1ccc(F)cc1 ZINC000629522139 450724468 /nfs/dbraw/zinc/72/44/68/450724468.db2.gz WBBVQYRDEYLZOB-GFCCVEGCSA-N 2 2 333.411 1.873 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000629563816 450737302 /nfs/dbraw/zinc/73/73/02/450737302.db2.gz GCXMIOSUEZOEME-NDBYEHHHSA-N 2 2 337.386 1.081 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000629563816 450737309 /nfs/dbraw/zinc/73/73/09/450737309.db2.gz GCXMIOSUEZOEME-NDBYEHHHSA-N 2 2 337.386 1.081 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCN1c1cccc(Cl)c1 ZINC000629566866 450738999 /nfs/dbraw/zinc/73/89/99/450738999.db2.gz IUQMXDXXNCMYMC-CVEARBPZSA-N 2 2 337.851 1.492 20 0 EDADLP COc1cc2c(cc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)O[C@@H](C)C2 ZINC000629653120 450772567 /nfs/dbraw/zinc/77/25/67/450772567.db2.gz NUWZHNFZLYDMEM-JTQLQIEISA-N 2 2 330.388 1.263 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000629604223 450758685 /nfs/dbraw/zinc/75/86/85/450758685.db2.gz HIOIMCNMDVLJGG-HNNXBMFYSA-N 2 2 336.411 1.084 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000629604223 450758689 /nfs/dbraw/zinc/75/86/89/450758689.db2.gz HIOIMCNMDVLJGG-HNNXBMFYSA-N 2 2 336.411 1.084 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc(Cl)c1OCC(N)=O ZINC000629659487 450773241 /nfs/dbraw/zinc/77/32/41/450773241.db2.gz AUWJCBXKXPCNJP-PWSUYJOCSA-N 2 2 341.839 1.443 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1cccc2nsnc21 ZINC000631886587 450847081 /nfs/dbraw/zinc/84/70/81/450847081.db2.gz KPCMHOCJVDUISS-SMDDNHRTSA-N 2 2 331.445 1.704 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1cccc2nsnc21 ZINC000631886587 450847086 /nfs/dbraw/zinc/84/70/86/450847086.db2.gz KPCMHOCJVDUISS-SMDDNHRTSA-N 2 2 331.445 1.704 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000626846284 450952323 /nfs/dbraw/zinc/95/23/23/450952323.db2.gz PKTOZFSOZCCIFV-INIZCTEOSA-N 2 2 341.415 1.267 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000635457843 450958233 /nfs/dbraw/zinc/95/82/33/450958233.db2.gz QCFJATILZYNJPC-UHFFFAOYSA-N 3 2 348.535 1.537 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000624729989 450966163 /nfs/dbraw/zinc/96/61/63/450966163.db2.gz LXZQHTDQFLKFJS-KRWDZBQOSA-N 2 2 349.479 1.416 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000624729989 450966169 /nfs/dbraw/zinc/96/61/69/450966169.db2.gz LXZQHTDQFLKFJS-KRWDZBQOSA-N 2 2 349.479 1.416 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@H]1COCC[NH+]1C ZINC000624732305 450967690 /nfs/dbraw/zinc/96/76/90/450967690.db2.gz ORKAXDJFPZJIKP-HNNXBMFYSA-N 2 2 338.452 1.074 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H]1COCC[NH+]1C ZINC000624732305 450967695 /nfs/dbraw/zinc/96/76/95/450967695.db2.gz ORKAXDJFPZJIKP-HNNXBMFYSA-N 2 2 338.452 1.074 20 0 EDADLP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624732305 450967702 /nfs/dbraw/zinc/96/77/02/450967702.db2.gz ORKAXDJFPZJIKP-HNNXBMFYSA-N 2 2 338.452 1.074 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccncc3)CCO2)CC[N@@H+]1C ZINC000633694981 450989644 /nfs/dbraw/zinc/98/96/44/450989644.db2.gz WSRVBHWYAYTOBR-OKZBNKHCSA-N 2 2 346.475 1.129 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccncc3)CCO2)CC[N@H+]1C ZINC000633694981 450989652 /nfs/dbraw/zinc/98/96/52/450989652.db2.gz WSRVBHWYAYTOBR-OKZBNKHCSA-N 2 2 346.475 1.129 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CC[NH+]1C ZINC000633694981 450989658 /nfs/dbraw/zinc/98/96/58/450989658.db2.gz WSRVBHWYAYTOBR-OKZBNKHCSA-N 2 2 346.475 1.129 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CC[NH+]1C ZINC000633694981 450989662 /nfs/dbraw/zinc/98/96/62/450989662.db2.gz WSRVBHWYAYTOBR-OKZBNKHCSA-N 2 2 346.475 1.129 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626924621 451007175 /nfs/dbraw/zinc/00/71/75/451007175.db2.gz CDSCQVHSOCNCKF-UHFFFAOYSA-N 2 2 331.420 1.152 20 0 EDADLP CN(CCOCC[NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000626926670 451009971 /nfs/dbraw/zinc/00/99/71/451009971.db2.gz MCBSQLQIXLLTKT-UHFFFAOYSA-N 2 2 331.420 1.048 20 0 EDADLP [NH3+]CCCOCCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000626927415 451010290 /nfs/dbraw/zinc/01/02/90/451010290.db2.gz ZHNYMSFVPSOHKC-UHFFFAOYSA-N 2 2 331.420 1.096 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000626927708 451011719 /nfs/dbraw/zinc/01/17/19/451011719.db2.gz YQRULNXRNOTOJR-XHSDSOJGSA-N 2 2 327.432 1.949 20 0 EDADLP [NH3+]CC1(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCOCC1 ZINC000626929130 451012318 /nfs/dbraw/zinc/01/23/18/451012318.db2.gz HBFFWMFPWMDKAI-UHFFFAOYSA-N 2 2 347.463 1.379 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000626943310 451022623 /nfs/dbraw/zinc/02/26/23/451022623.db2.gz ATPOWSQACWQUEC-IAGOWNOFSA-N 2 2 332.448 1.029 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000635559287 451058126 /nfs/dbraw/zinc/05/81/26/451058126.db2.gz ATBWIMHVIXZEPO-OALUTQOASA-N 2 2 345.487 1.388 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000635559287 451058134 /nfs/dbraw/zinc/05/81/34/451058134.db2.gz ATBWIMHVIXZEPO-OALUTQOASA-N 2 2 345.487 1.388 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CC[NH+](C2CCC2)CC1 ZINC000635563178 451061068 /nfs/dbraw/zinc/06/10/68/451061068.db2.gz VKXHPMOTXSELKF-UHFFFAOYSA-N 2 2 326.400 1.888 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000627005305 451069631 /nfs/dbraw/zinc/06/96/31/451069631.db2.gz WSJCPXPJTXGSEJ-DFBGVHRSSA-N 2 2 340.830 1.885 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000627005305 451069634 /nfs/dbraw/zinc/06/96/34/451069634.db2.gz WSJCPXPJTXGSEJ-DFBGVHRSSA-N 2 2 340.830 1.885 20 0 EDADLP Cc1cc(NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)cc[nH+]1 ZINC000635551277 451047821 /nfs/dbraw/zinc/04/78/21/451047821.db2.gz KYDGNBJNQJXTGD-UHFFFAOYSA-N 2 2 339.399 1.681 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000622330100 451127148 /nfs/dbraw/zinc/12/71/48/451127148.db2.gz JYFUPONNARVPFN-KRWDZBQOSA-N 2 2 335.496 1.602 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000622330100 451127153 /nfs/dbraw/zinc/12/71/53/451127153.db2.gz JYFUPONNARVPFN-KRWDZBQOSA-N 2 2 335.496 1.602 20 0 EDADLP O[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)[C@H]1CCCO1 ZINC000630384626 451160380 /nfs/dbraw/zinc/16/03/80/451160380.db2.gz BKLOFNMYDFVMTP-UONOGXRCSA-N 2 2 326.360 1.162 20 0 EDADLP CCc1c[nH]c(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)[nH+]1 ZINC000635703974 451185075 /nfs/dbraw/zinc/18/50/75/451185075.db2.gz CHDUHNNOVRWSBY-JKSUJKDBSA-N 2 2 334.464 1.399 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)[C@H]3CCc4[nH+]c[nH]c4C3)cn2)CC1 ZINC000634096401 451190809 /nfs/dbraw/zinc/19/08/09/451190809.db2.gz RZNPGQHRLTVCDJ-LBPRGKRZSA-N 2 2 328.420 1.617 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)[C@H]3CCc4[nH]c[nH+]c4C3)cn2)CC1 ZINC000634096401 451190813 /nfs/dbraw/zinc/19/08/13/451190813.db2.gz RZNPGQHRLTVCDJ-LBPRGKRZSA-N 2 2 328.420 1.617 20 0 EDADLP CCOC1(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCOCC1 ZINC000634194518 451231537 /nfs/dbraw/zinc/23/15/37/451231537.db2.gz NXNFRDWUCIRMDA-UHFFFAOYSA-N 2 2 348.447 1.358 20 0 EDADLP C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195916 451233871 /nfs/dbraw/zinc/23/38/71/451233871.db2.gz JNEOMCADWVPOAD-CJNGLKHVSA-N 2 2 330.432 1.777 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638102286 451269077 /nfs/dbraw/zinc/26/90/77/451269077.db2.gz SKQXBEOTMSRJEL-ZDUSSCGKSA-N 2 2 334.342 1.159 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000638110279 451278353 /nfs/dbraw/zinc/27/83/53/451278353.db2.gz CPULQSUAGOUQNH-VQIMIIECSA-N 2 2 342.443 1.657 20 0 EDADLP Cc1cc2[nH+]cn(Cc3cn(C[C@H]4C[NH2+]CCO4)nn3)c2cc1C ZINC000630617925 451278474 /nfs/dbraw/zinc/27/84/74/451278474.db2.gz ZGEWIBKGKGHVRD-OAHLLOKOSA-N 2 2 326.404 1.281 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638111279 451279945 /nfs/dbraw/zinc/27/99/45/451279945.db2.gz NEKNDQBOJMRELN-LJQANCHMSA-N 2 2 342.443 1.645 20 0 EDADLP Cc1cccc2c1C[C@H](C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)N2 ZINC000638116955 451285142 /nfs/dbraw/zinc/28/51/42/451285142.db2.gz MXIJDPVPCWHJEP-HNAYVOBHSA-N 2 2 342.487 1.616 20 0 EDADLP Cc1cccc2c1C[C@H](C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)N2 ZINC000638116955 451285147 /nfs/dbraw/zinc/28/51/47/451285147.db2.gz MXIJDPVPCWHJEP-HNAYVOBHSA-N 2 2 342.487 1.616 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638120698 451290656 /nfs/dbraw/zinc/29/06/56/451290656.db2.gz BRGFTQJWVNKVEZ-KRWDZBQOSA-N 2 2 343.475 1.615 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638120698 451290658 /nfs/dbraw/zinc/29/06/58/451290658.db2.gz BRGFTQJWVNKVEZ-KRWDZBQOSA-N 2 2 343.475 1.615 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000638125683 451294833 /nfs/dbraw/zinc/29/48/33/451294833.db2.gz GIAPTFXOAHFYCL-MOPGFXCFSA-N 2 2 346.519 1.779 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000638125683 451294838 /nfs/dbraw/zinc/29/48/38/451294838.db2.gz GIAPTFXOAHFYCL-MOPGFXCFSA-N 2 2 346.519 1.779 20 0 EDADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000638144793 451317939 /nfs/dbraw/zinc/31/79/39/451317939.db2.gz FWJAOVCIBYGBQI-CVEARBPZSA-N 2 2 331.464 1.110 20 0 EDADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000638144793 451317943 /nfs/dbraw/zinc/31/79/43/451317943.db2.gz FWJAOVCIBYGBQI-CVEARBPZSA-N 2 2 331.464 1.110 20 0 EDADLP COc1cccc(C)c1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000638145850 451319510 /nfs/dbraw/zinc/31/95/10/451319510.db2.gz LYILKJXPLONPKC-QGZVFWFLSA-N 2 2 331.460 1.742 20 0 EDADLP COc1cccc(C)c1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000638145850 451319513 /nfs/dbraw/zinc/31/95/13/451319513.db2.gz LYILKJXPLONPKC-QGZVFWFLSA-N 2 2 331.460 1.742 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)c1c(F)cccc1F ZINC000638119254 451288434 /nfs/dbraw/zinc/28/84/34/451288434.db2.gz MVKCICWUDSYYAN-BBRMVZONSA-N 2 2 327.375 1.062 20 0 EDADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)c1ccccc1 ZINC000640516796 451367340 /nfs/dbraw/zinc/36/73/40/451367340.db2.gz MCBZYLFSALMAAM-SQNIBIBYSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(O)cc(F)c1 ZINC000632548431 451389818 /nfs/dbraw/zinc/38/98/18/451389818.db2.gz NEOZIWMNAXHDGX-LBPRGKRZSA-N 2 2 347.456 1.082 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(O)cc(F)c1 ZINC000632548431 451389822 /nfs/dbraw/zinc/38/98/22/451389822.db2.gz NEOZIWMNAXHDGX-LBPRGKRZSA-N 2 2 347.456 1.082 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000635949005 451390432 /nfs/dbraw/zinc/39/04/32/451390432.db2.gz XSPTZLKBFAFIFQ-HNNXBMFYSA-N 2 2 334.464 1.718 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000635949005 451390438 /nfs/dbraw/zinc/39/04/38/451390438.db2.gz XSPTZLKBFAFIFQ-HNNXBMFYSA-N 2 2 334.464 1.718 20 0 EDADLP Cc1cn2ccc(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)cc2[nH+]1 ZINC000635896203 451340557 /nfs/dbraw/zinc/34/05/57/451340557.db2.gz RATWAJIKYCXXHM-UHFFFAOYSA-N 2 2 329.448 1.399 20 0 EDADLP Cc1cn2ccc(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cc2[nH+]1 ZINC000635896203 451340559 /nfs/dbraw/zinc/34/05/59/451340559.db2.gz RATWAJIKYCXXHM-UHFFFAOYSA-N 2 2 329.448 1.399 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000638273749 451393441 /nfs/dbraw/zinc/39/34/41/451393441.db2.gz JWUUANLBWSYNKA-SJLPKXTDSA-N 2 2 335.423 1.237 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3OC4CCC3CC4)CC2)CC1 ZINC000636682080 451411298 /nfs/dbraw/zinc/41/12/98/451411298.db2.gz FYBPZOKSEHLXBT-UHFFFAOYSA-N 2 2 336.480 1.813 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638296750 451411984 /nfs/dbraw/zinc/41/19/84/451411984.db2.gz BTSFDDKGMGKZNG-LJISPDSOSA-N 2 2 341.814 1.457 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638296750 451411987 /nfs/dbraw/zinc/41/19/87/451411987.db2.gz BTSFDDKGMGKZNG-LJISPDSOSA-N 2 2 341.814 1.457 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cnc(C[NH3+])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000638300692 451416505 /nfs/dbraw/zinc/41/65/05/451416505.db2.gz VLRSELMUEDPVIC-QGZVFWFLSA-N 2 2 339.443 1.672 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cnc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC000638300692 451416509 /nfs/dbraw/zinc/41/65/09/451416509.db2.gz VLRSELMUEDPVIC-QGZVFWFLSA-N 2 2 339.443 1.672 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638302943 451417500 /nfs/dbraw/zinc/41/75/00/451417500.db2.gz VMUMKQVHBQEQMN-QGZVFWFLSA-N 2 2 342.443 1.337 20 0 EDADLP CC[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000638303158 451417636 /nfs/dbraw/zinc/41/76/36/451417636.db2.gz VNXAHROKQAUTFS-CQSZACIVSA-N 2 2 332.448 1.287 20 0 EDADLP CO[C@H](C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000638352082 451453249 /nfs/dbraw/zinc/45/32/49/451453249.db2.gz LOLMVLGSXQRZBS-GOSISDBHSA-N 2 2 347.507 1.784 20 0 EDADLP CC(C)[C@H](CNC(=O)Nc1cc[nH+]c(N(C)C)c1)[NH+]1CCOCC1 ZINC000640609942 451456858 /nfs/dbraw/zinc/45/68/58/451456858.db2.gz QKWJHBHLSYBZAT-HNNXBMFYSA-N 2 2 335.452 1.626 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[C@@H](C)C[N@@H+]1CCO ZINC000636036202 451458145 /nfs/dbraw/zinc/45/81/45/451458145.db2.gz YXFDPIPOMOVKNS-AGIUHOORSA-N 2 2 348.369 1.290 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[C@@H](C)C[N@H+]1CCO ZINC000636036202 451458147 /nfs/dbraw/zinc/45/81/47/451458147.db2.gz YXFDPIPOMOVKNS-AGIUHOORSA-N 2 2 348.369 1.290 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630932451 451491021 /nfs/dbraw/zinc/49/10/21/451491021.db2.gz KRFOSPNYBFSCBZ-MRXNPFEDSA-N 2 2 328.416 1.917 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630932451 451491022 /nfs/dbraw/zinc/49/10/22/451491022.db2.gz KRFOSPNYBFSCBZ-MRXNPFEDSA-N 2 2 328.416 1.917 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC000638412452 451498253 /nfs/dbraw/zinc/49/82/53/451498253.db2.gz JZBGHUGHVYFIEB-RDJZCZTQSA-N 2 2 328.416 1.531 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2[nH+]c[nH]c2C)cc1 ZINC000638412452 451498264 /nfs/dbraw/zinc/49/82/64/451498264.db2.gz JZBGHUGHVYFIEB-RDJZCZTQSA-N 2 2 328.416 1.531 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000634724053 451504632 /nfs/dbraw/zinc/50/46/32/451504632.db2.gz IUATYCKMSXCCBC-YZGWKJHDSA-N 3 2 331.504 1.801 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000634724053 451504635 /nfs/dbraw/zinc/50/46/35/451504635.db2.gz IUATYCKMSXCCBC-YZGWKJHDSA-N 3 2 331.504 1.801 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@]34C[C@H]3COC4(C)C)C2)CC1 ZINC000636791061 451511330 /nfs/dbraw/zinc/51/13/30/451511330.db2.gz CRRSOHNFZMWQEN-SUNYJGFJSA-N 2 2 336.480 1.022 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@]34C[C@H]3COC4(C)C)C2)CC1 ZINC000636791061 451511334 /nfs/dbraw/zinc/51/13/34/451511334.db2.gz CRRSOHNFZMWQEN-SUNYJGFJSA-N 2 2 336.480 1.022 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@H](C)C1 ZINC000636794406 451515214 /nfs/dbraw/zinc/51/52/14/451515214.db2.gz HFZQAXMOWSFGRT-INMHGKMJSA-N 2 2 349.479 1.244 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@H](C)C1 ZINC000636794406 451515217 /nfs/dbraw/zinc/51/52/17/451515217.db2.gz HFZQAXMOWSFGRT-INMHGKMJSA-N 2 2 349.479 1.244 20 0 EDADLP c1c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)nnn1C[C@H]1CCOC1 ZINC000631041763 451548682 /nfs/dbraw/zinc/54/86/82/451548682.db2.gz MNXQOHSDZLSMEQ-OAHLLOKOSA-N 2 2 342.447 1.468 20 0 EDADLP CN(C)C(=O)CCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631052969 451556584 /nfs/dbraw/zinc/55/65/84/451556584.db2.gz GDTGKMWELOGGKQ-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)[C@H]1CC[NH3+] ZINC000634812046 451566525 /nfs/dbraw/zinc/56/65/25/451566525.db2.gz YIJBIHROCJYZOC-PMPSAXMXSA-N 2 2 333.480 1.782 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)[C@H]1CC[NH3+] ZINC000634812046 451566526 /nfs/dbraw/zinc/56/65/26/451566526.db2.gz YIJBIHROCJYZOC-PMPSAXMXSA-N 2 2 333.480 1.782 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000634813462 451568078 /nfs/dbraw/zinc/56/80/78/451568078.db2.gz LYJCKORYWNJHEU-GJZGRUSLSA-N 2 2 333.480 1.875 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000634813462 451568083 /nfs/dbraw/zinc/56/80/83/451568083.db2.gz LYJCKORYWNJHEU-GJZGRUSLSA-N 2 2 333.480 1.875 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000636206969 451583104 /nfs/dbraw/zinc/58/31/04/451583104.db2.gz AIXPLRCAWRFTDP-UHFFFAOYSA-N 2 2 345.487 1.484 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000636206969 451583108 /nfs/dbraw/zinc/58/31/08/451583108.db2.gz AIXPLRCAWRFTDP-UHFFFAOYSA-N 2 2 345.487 1.484 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632834056 451605604 /nfs/dbraw/zinc/60/56/04/451605604.db2.gz ZRESSBSKHHYREZ-INIZCTEOSA-N 2 2 330.432 1.899 20 0 EDADLP Cn1nc2c(c1C[NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCCC2 ZINC000631091785 451579289 /nfs/dbraw/zinc/57/92/89/451579289.db2.gz QIMNOEBMZCNPTM-MJGOQNOKSA-N 2 2 332.492 1.766 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000638720829 451664635 /nfs/dbraw/zinc/66/46/35/451664635.db2.gz KSXHGMPITCAKLK-BBRMVZONSA-N 2 2 326.448 1.444 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000638720829 451664638 /nfs/dbraw/zinc/66/46/38/451664638.db2.gz KSXHGMPITCAKLK-BBRMVZONSA-N 2 2 326.448 1.444 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000632889885 451634436 /nfs/dbraw/zinc/63/44/36/451634436.db2.gz NOSJCFLMMCMMDL-UHFFFAOYSA-N 2 2 331.420 1.692 20 0 EDADLP CN(C(=O)c1cnn(CC2CC2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246779 451660448 /nfs/dbraw/zinc/66/04/48/451660448.db2.gz JEYPTKOBYGTRSE-GOSISDBHSA-N 2 2 345.491 1.534 20 0 EDADLP CN(C(=O)c1cnn(CC2CC2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246779 451660451 /nfs/dbraw/zinc/66/04/51/451660451.db2.gz JEYPTKOBYGTRSE-GOSISDBHSA-N 2 2 345.491 1.534 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCn3nccc32)CC1 ZINC000636985476 451661623 /nfs/dbraw/zinc/66/16/23/451661623.db2.gz DGBLWCUBRCOETB-OAHLLOKOSA-N 2 2 334.468 1.043 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](C)O1 ZINC000632978445 451675502 /nfs/dbraw/zinc/67/55/02/451675502.db2.gz GEDJUSLBTXLHHR-JKIFEVAISA-N 2 2 338.496 1.410 20 0 EDADLP CO[C@@]1(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCOC1 ZINC000638774123 451686444 /nfs/dbraw/zinc/68/64/44/451686444.db2.gz DUVSLCFDAGLCTN-GOSISDBHSA-N 2 2 334.464 1.829 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000638810117 451698481 /nfs/dbraw/zinc/69/84/81/451698481.db2.gz KGTWEPTUFZJAJI-KFWWJZLASA-N 2 2 325.840 1.565 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000638874153 451715848 /nfs/dbraw/zinc/71/58/48/451715848.db2.gz PUDIKDMJYVHGJO-UHFFFAOYSA-N 2 2 326.447 1.382 20 0 EDADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000638730619 451668919 /nfs/dbraw/zinc/66/89/19/451668919.db2.gz BRSZCJJDMODPFH-MRXNPFEDSA-N 2 2 332.448 1.060 20 0 EDADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000638730619 451668923 /nfs/dbraw/zinc/66/89/23/451668923.db2.gz BRSZCJJDMODPFH-MRXNPFEDSA-N 2 2 332.448 1.060 20 0 EDADLP CC(C)Oc1cc[nH+]c(Cn2cc(Cn3cc(C[NH3+])cn3)nn2)c1 ZINC000641197639 451776737 /nfs/dbraw/zinc/77/67/37/451776737.db2.gz CLSRGKREQDQCPR-UHFFFAOYSA-N 2 2 327.392 1.212 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nnc(-c2c(F)cccc2F)s1 ZINC000638976504 451744167 /nfs/dbraw/zinc/74/41/67/451744167.db2.gz IVRPTJFBJSRZEZ-JTQLQIEISA-N 2 2 341.387 1.701 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc2c(c1)OCCO2 ZINC000638986867 451747163 /nfs/dbraw/zinc/74/71/63/451747163.db2.gz FYOQXOCOCNHJEW-UHFFFAOYSA-N 2 2 340.383 1.515 20 0 EDADLP CN(C)c1ncccc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986726 451747190 /nfs/dbraw/zinc/74/71/90/451747190.db2.gz ZBGRZOQXGBUMKY-UHFFFAOYSA-N 2 2 326.404 1.205 20 0 EDADLP [NH3+]Cc1cc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)ccn1 ZINC000638989896 451748522 /nfs/dbraw/zinc/74/85/22/451748522.db2.gz FYTFAPUCPAAYMB-UHFFFAOYSA-N 2 2 343.456 1.419 20 0 EDADLP [NH3+][C@H](c1cn(Cc2[nH+]ccn2-c2ccccc2)nn1)C1CCOCC1 ZINC000641130746 451757608 /nfs/dbraw/zinc/75/76/08/451757608.db2.gz VDBXPKQIMFAWJC-SFHVURJKSA-N 2 2 338.415 1.939 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000641164220 451766904 /nfs/dbraw/zinc/76/69/04/451766904.db2.gz MGKWIUKGMPUNBX-QGZVFWFLSA-N 2 2 326.404 1.073 20 0 EDADLP CC[C@H](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)OC ZINC000639163154 451782574 /nfs/dbraw/zinc/78/25/74/451782574.db2.gz DXJXRHZQGJNSFJ-MKXAEBJUSA-N 2 2 325.497 1.721 20 0 EDADLP CC[C@H](C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)OC ZINC000639163154 451782577 /nfs/dbraw/zinc/78/25/77/451782577.db2.gz DXJXRHZQGJNSFJ-MKXAEBJUSA-N 2 2 325.497 1.721 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639175286 451785691 /nfs/dbraw/zinc/78/56/91/451785691.db2.gz LBLMJVRAXMBRKU-UHFFFAOYSA-N 2 2 342.852 1.706 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639175286 451785692 /nfs/dbraw/zinc/78/56/92/451785692.db2.gz LBLMJVRAXMBRKU-UHFFFAOYSA-N 2 2 342.852 1.706 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000639255141 451799654 /nfs/dbraw/zinc/79/96/54/451799654.db2.gz BQVJWWQCPMVTHR-ZFWWWQNUSA-N 2 2 325.478 1.557 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000639255141 451799656 /nfs/dbraw/zinc/79/96/56/451799656.db2.gz BQVJWWQCPMVTHR-ZFWWWQNUSA-N 2 2 325.478 1.557 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000641279205 451803989 /nfs/dbraw/zinc/80/39/89/451803989.db2.gz OJBOIHPRQSEXPI-IAGOWNOFSA-N 2 2 349.500 1.580 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000641279205 451803994 /nfs/dbraw/zinc/80/39/94/451803994.db2.gz OJBOIHPRQSEXPI-IAGOWNOFSA-N 2 2 349.500 1.580 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000641279205 451803998 /nfs/dbraw/zinc/80/39/98/451803998.db2.gz OJBOIHPRQSEXPI-IAGOWNOFSA-N 2 2 349.500 1.580 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000641279205 451804001 /nfs/dbraw/zinc/80/40/01/451804001.db2.gz OJBOIHPRQSEXPI-IAGOWNOFSA-N 2 2 349.500 1.580 20 0 EDADLP Cc1[nH+]ccn1CCCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641287827 451811959 /nfs/dbraw/zinc/81/19/59/451811959.db2.gz SOZKSEIMMKGEKA-UHFFFAOYSA-N 2 2 348.472 1.548 20 0 EDADLP Cc1[nH+]ccn1CCCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641287827 451811966 /nfs/dbraw/zinc/81/19/66/451811966.db2.gz SOZKSEIMMKGEKA-UHFFFAOYSA-N 2 2 348.472 1.548 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC000651443602 451831622 /nfs/dbraw/zinc/83/16/22/451831622.db2.gz WZPKTUOCDAVEHX-SFHVURJKSA-N 2 2 329.488 1.934 20 0 EDADLP CCN(CC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1C ZINC000644522051 451838512 /nfs/dbraw/zinc/83/85/12/451838512.db2.gz ZSFBOIAFJZTQCO-QRVBRYPASA-N 2 2 349.519 1.881 20 0 EDADLP Cc1ccc([C@@H](CNC[C@@H](O)C[NH+]2CCOCC2)[NH+]2CCCC2)cc1 ZINC000644532511 451845753 /nfs/dbraw/zinc/84/57/53/451845753.db2.gz ZARHZMGDBGLOON-WOJBJXKFSA-N 2 2 347.503 1.415 20 0 EDADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1ccccn1 ZINC000639465990 451881607 /nfs/dbraw/zinc/88/16/07/451881607.db2.gz QRKZOISUHGMTRI-UHFFFAOYSA-N 2 2 332.448 1.454 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000637469982 451886578 /nfs/dbraw/zinc/88/65/78/451886578.db2.gz HHYPIRWRFHSBMG-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000637469982 451886583 /nfs/dbraw/zinc/88/65/83/451886583.db2.gz HHYPIRWRFHSBMG-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000651521981 451887120 /nfs/dbraw/zinc/88/71/20/451887120.db2.gz MFJIWQRLOLKUQZ-DLBZAZTESA-N 2 2 346.475 1.522 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2c[nH]c3ncccc23)C[C@H](C)O1 ZINC000644604933 451890508 /nfs/dbraw/zinc/89/05/08/451890508.db2.gz HSVWBZAAEHFLSB-LZWOXQAQSA-N 2 2 332.448 1.165 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2c[nH]c3ncccc23)C[C@H](C)O1 ZINC000644604933 451890510 /nfs/dbraw/zinc/89/05/10/451890510.db2.gz HSVWBZAAEHFLSB-LZWOXQAQSA-N 2 2 332.448 1.165 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1c(F)cccc1F ZINC000649278971 451948910 /nfs/dbraw/zinc/94/89/10/451948910.db2.gz PFVMPVMRTPVJRE-MLGOLLRUSA-N 2 2 339.386 1.288 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000644655930 451920801 /nfs/dbraw/zinc/92/08/01/451920801.db2.gz SHYUULQTWIOVKB-XUWVNRHRSA-N 2 2 336.501 1.936 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000644655930 451920809 /nfs/dbraw/zinc/92/08/09/451920809.db2.gz SHYUULQTWIOVKB-XUWVNRHRSA-N 2 2 336.501 1.936 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000646913661 451932121 /nfs/dbraw/zinc/93/21/21/451932121.db2.gz LBNVLBMMICCJMY-BZSNNMDCSA-N 2 2 329.444 1.050 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000646913661 451932127 /nfs/dbraw/zinc/93/21/27/451932127.db2.gz LBNVLBMMICCJMY-BZSNNMDCSA-N 2 2 329.444 1.050 20 0 EDADLP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000646913661 451932132 /nfs/dbraw/zinc/93/21/32/451932132.db2.gz LBNVLBMMICCJMY-BZSNNMDCSA-N 2 2 329.444 1.050 20 0 EDADLP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000646913661 451932138 /nfs/dbraw/zinc/93/21/38/451932138.db2.gz LBNVLBMMICCJMY-BZSNNMDCSA-N 2 2 329.444 1.050 20 0 EDADLP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649281869 451953816 /nfs/dbraw/zinc/95/38/16/451953816.db2.gz MHEDZHPSLTWHAM-CYBMUJFWSA-N 2 2 329.416 1.637 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]1([NH3+])CCN(C)C1 ZINC000649288580 451963258 /nfs/dbraw/zinc/96/32/58/451963258.db2.gz ZKJZMKMAMSSEPN-OXQOHEQNSA-N 2 2 344.503 1.710 20 0 EDADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1([NH3+])CCN(C)C1 ZINC000649288580 451963262 /nfs/dbraw/zinc/96/32/62/451963262.db2.gz ZKJZMKMAMSSEPN-OXQOHEQNSA-N 2 2 344.503 1.710 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639619681 451977709 /nfs/dbraw/zinc/97/77/09/451977709.db2.gz GTOOLILOYMBCBG-INIZCTEOSA-N 2 2 330.432 1.366 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641444433 451983435 /nfs/dbraw/zinc/98/34/35/451983435.db2.gz QUJHBIZGBHIKFC-CQSZACIVSA-N 2 2 339.505 1.683 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641444433 451983440 /nfs/dbraw/zinc/98/34/40/451983440.db2.gz QUJHBIZGBHIKFC-CQSZACIVSA-N 2 2 339.505 1.683 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000653506766 451988194 /nfs/dbraw/zinc/98/81/94/451988194.db2.gz KLNOAUCYLIVPSZ-KRWDZBQOSA-N 2 2 325.497 1.460 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000653506766 451988202 /nfs/dbraw/zinc/98/82/02/451988202.db2.gz KLNOAUCYLIVPSZ-KRWDZBQOSA-N 2 2 325.497 1.460 20 0 EDADLP C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000639658025 452004377 /nfs/dbraw/zinc/00/43/77/452004377.db2.gz DXBOQVKHZXWEGJ-HNNXBMFYSA-N 2 2 343.431 1.960 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649339392 452018656 /nfs/dbraw/zinc/01/86/56/452018656.db2.gz UPOKLMBBCIEUER-INIZCTEOSA-N 2 2 339.867 1.909 20 0 EDADLP COC[C@H](CC(C)(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000651694889 452018936 /nfs/dbraw/zinc/01/89/36/452018936.db2.gz UXWWGVJUDAOPBQ-JKSUJKDBSA-N 2 2 327.513 1.970 20 0 EDADLP COC[C@H](CC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000651694889 452018942 /nfs/dbraw/zinc/01/89/42/452018942.db2.gz UXWWGVJUDAOPBQ-JKSUJKDBSA-N 2 2 327.513 1.970 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649339393 452019304 /nfs/dbraw/zinc/01/93/04/452019304.db2.gz UPOKLMBBCIEUER-MRXNPFEDSA-N 2 2 339.867 1.909 20 0 EDADLP CC[N@@H+]1CCN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)[C@@H](C)C1 ZINC000641488621 452019518 /nfs/dbraw/zinc/01/95/18/452019518.db2.gz GMNLHBUMVIMYIF-AWEZNQCLSA-N 2 2 337.489 1.389 20 0 EDADLP CC[N@H+]1CCN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)[C@@H](C)C1 ZINC000641488621 452019525 /nfs/dbraw/zinc/01/95/25/452019525.db2.gz GMNLHBUMVIMYIF-AWEZNQCLSA-N 2 2 337.489 1.389 20 0 EDADLP CC[NH+]1CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)[C@@H](C)C1 ZINC000641488621 452019530 /nfs/dbraw/zinc/01/95/30/452019530.db2.gz GMNLHBUMVIMYIF-AWEZNQCLSA-N 2 2 337.489 1.389 20 0 EDADLP CC[NH+]1CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)[C@@H](C)C1 ZINC000641488621 452019535 /nfs/dbraw/zinc/01/95/35/452019535.db2.gz GMNLHBUMVIMYIF-AWEZNQCLSA-N 2 2 337.489 1.389 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CSC[NH2+]3)C2)o1 ZINC000649345958 452028825 /nfs/dbraw/zinc/02/88/25/452028825.db2.gz UDLFIFMHVCUFIN-QWHCGFSZSA-N 2 2 338.477 1.493 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CSC[NH2+]3)C2)o1 ZINC000649345958 452028827 /nfs/dbraw/zinc/02/88/27/452028827.db2.gz UDLFIFMHVCUFIN-QWHCGFSZSA-N 2 2 338.477 1.493 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000649347771 452030247 /nfs/dbraw/zinc/03/02/47/452030247.db2.gz ZLZITRSYPHOQLL-WQVCFCJDSA-N 2 2 337.851 1.519 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643071089 452033047 /nfs/dbraw/zinc/03/30/47/452033047.db2.gz WMYKPGAMKIPUCV-YOEHRIQHSA-N 2 2 327.428 1.747 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643071089 452033055 /nfs/dbraw/zinc/03/30/55/452033055.db2.gz WMYKPGAMKIPUCV-YOEHRIQHSA-N 2 2 327.428 1.747 20 0 EDADLP c1nnn(-c2ccccc2)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000651719149 452035227 /nfs/dbraw/zinc/03/52/27/452035227.db2.gz KITRKJUMANNPNI-INIZCTEOSA-N 2 2 341.459 1.858 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000653606572 452038309 /nfs/dbraw/zinc/03/83/09/452038309.db2.gz REJPWQGSQRUSQW-QAPCUYQASA-N 2 2 332.448 1.462 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000653606572 452038314 /nfs/dbraw/zinc/03/83/14/452038314.db2.gz REJPWQGSQRUSQW-QAPCUYQASA-N 2 2 332.448 1.462 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000649356219 452039489 /nfs/dbraw/zinc/03/94/89/452039489.db2.gz FSRLBQQKDFXHPO-MRXNPFEDSA-N 2 2 335.411 1.981 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000647074090 452044778 /nfs/dbraw/zinc/04/47/78/452044778.db2.gz UPHBIOUGWFGENQ-WBVHZDCISA-N 2 2 331.460 1.766 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000649409810 452074160 /nfs/dbraw/zinc/07/41/60/452074160.db2.gz GOWKLFLCIBHFLB-QGZVFWFLSA-N 2 2 334.439 1.158 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000649409810 452074161 /nfs/dbraw/zinc/07/41/61/452074161.db2.gz GOWKLFLCIBHFLB-QGZVFWFLSA-N 2 2 334.439 1.158 20 0 EDADLP O=C1N[C@@H]2C[N@H+](Cc3ccncc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000649420759 452083448 /nfs/dbraw/zinc/08/34/48/452083448.db2.gz OMVXAOABWYRFFX-HZPDHXFCSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](Cc3ccncc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000649420759 452083453 /nfs/dbraw/zinc/08/34/53/452083453.db2.gz OMVXAOABWYRFFX-HZPDHXFCSA-N 2 2 349.866 1.455 20 0 EDADLP CC[N@H+](CCCNS(=O)(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000641556289 452087732 /nfs/dbraw/zinc/08/77/32/452087732.db2.gz FVOULFGSTKEYSK-UHFFFAOYSA-N 2 2 342.509 1.847 20 0 EDADLP CC[N@@H+](CCCNS(=O)(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000641556289 452087735 /nfs/dbraw/zinc/08/77/35/452087735.db2.gz FVOULFGSTKEYSK-UHFFFAOYSA-N 2 2 342.509 1.847 20 0 EDADLP Cc1cn2ccc(C(=O)Nc3ccc(N4CC[NH2+]CC4)cn3)cc2[nH+]1 ZINC000637824682 452101745 /nfs/dbraw/zinc/10/17/45/452101745.db2.gz PRBDVTBGOMKPDK-UHFFFAOYSA-N 2 2 336.399 1.700 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762596 452102845 /nfs/dbraw/zinc/10/28/45/452102845.db2.gz NSDFRUXXQRQOMV-ABSDTBQOSA-N 2 2 347.503 1.949 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762596 452102847 /nfs/dbraw/zinc/10/28/47/452102847.db2.gz NSDFRUXXQRQOMV-ABSDTBQOSA-N 2 2 347.503 1.949 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)[C@@H](Cc2ccccc2)C1 ZINC000649498024 452111248 /nfs/dbraw/zinc/11/12/48/452111248.db2.gz ADUDXKNMYPFZRP-SFHVURJKSA-N 2 2 341.459 1.842 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)[C@@H](Cc2ccccc2)C1 ZINC000649498024 452111249 /nfs/dbraw/zinc/11/12/49/452111249.db2.gz ADUDXKNMYPFZRP-SFHVURJKSA-N 2 2 341.459 1.842 20 0 EDADLP Cc1c(Cl)c(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)nn1C ZINC000643289028 452119247 /nfs/dbraw/zinc/11/92/47/452119247.db2.gz HUBFYIACZOBWGZ-ZDUSSCGKSA-N 2 2 325.888 1.640 20 0 EDADLP Cc1c(Cl)c(CN[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000643289028 452119251 /nfs/dbraw/zinc/11/92/51/452119251.db2.gz HUBFYIACZOBWGZ-ZDUSSCGKSA-N 2 2 325.888 1.640 20 0 EDADLP Cc1c(Cl)c(CN[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000643289028 452119258 /nfs/dbraw/zinc/11/92/58/452119258.db2.gz HUBFYIACZOBWGZ-ZDUSSCGKSA-N 2 2 325.888 1.640 20 0 EDADLP Nc1nc(NCc2[nH+]ccn2CC(F)(F)F)c2c([nH+]1)CCCC2 ZINC000645154705 452183178 /nfs/dbraw/zinc/18/31/78/452183178.db2.gz GHAFDEPQAYTREV-UHFFFAOYSA-N 2 2 326.326 1.730 20 0 EDADLP c1cc2[nH+]ccc(N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)c2cn1 ZINC000641719882 452219728 /nfs/dbraw/zinc/21/97/28/452219728.db2.gz ZGYSEEHXINVNQZ-MRXNPFEDSA-N 2 2 341.459 1.260 20 0 EDADLP c1cc2[nH+]ccc(N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)c2cn1 ZINC000641719882 452219731 /nfs/dbraw/zinc/21/97/31/452219731.db2.gz ZGYSEEHXINVNQZ-MRXNPFEDSA-N 2 2 341.459 1.260 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639896311 452223481 /nfs/dbraw/zinc/22/34/81/452223481.db2.gz PIRXVTQRUTVLPM-QGZVFWFLSA-N 2 2 335.492 1.717 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000645232001 452224902 /nfs/dbraw/zinc/22/49/02/452224902.db2.gz OOCYYISKMCWRMC-HNNXBMFYSA-N 2 2 331.464 1.555 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000654056961 452226488 /nfs/dbraw/zinc/22/64/88/452226488.db2.gz AMMUPOULCUEBBQ-MWDXBVQZSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000654056961 452226494 /nfs/dbraw/zinc/22/64/94/452226494.db2.gz AMMUPOULCUEBBQ-MWDXBVQZSA-N 2 2 325.497 1.865 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641775026 452248047 /nfs/dbraw/zinc/24/80/47/452248047.db2.gz STOZTXVXLZCFJW-GOSISDBHSA-N 2 2 325.460 1.570 20 0 EDADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CS1 ZINC000641784724 452254329 /nfs/dbraw/zinc/25/43/29/452254329.db2.gz FDAHONRDUPIDAH-IXDOHACOSA-N 2 2 327.538 1.657 20 0 EDADLP c1cn2c(n1)[C@H]([NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)CCC2 ZINC000641785097 452258002 /nfs/dbraw/zinc/25/80/02/452258002.db2.gz HMWCRRRBVUEGTD-DLBZAZTESA-N 2 2 333.480 1.104 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000641786370 452261179 /nfs/dbraw/zinc/26/11/79/452261179.db2.gz PTGUNJGPQNUFHH-VJANTYMQSA-N 2 2 349.519 1.330 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000647529370 452262798 /nfs/dbraw/zinc/26/27/98/452262798.db2.gz RSBSTTWZWCJNBA-JKSUJKDBSA-N 2 2 326.412 1.002 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000647529370 452262812 /nfs/dbraw/zinc/26/28/12/452262812.db2.gz RSBSTTWZWCJNBA-JKSUJKDBSA-N 2 2 326.412 1.002 20 0 EDADLP COC1(C[C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000641787436 452263220 /nfs/dbraw/zinc/26/32/20/452263220.db2.gz VTSXRVCGKKEPRS-ZWKOTPCHSA-N 2 2 339.524 1.720 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000643500890 452270439 /nfs/dbraw/zinc/27/04/39/452270439.db2.gz FZWWTCJAJIOMDI-ZFWWWQNUSA-N 2 2 325.478 1.730 20 0 EDADLP FC1(F)Oc2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cc2O1 ZINC000641799613 452275482 /nfs/dbraw/zinc/27/54/82/452275482.db2.gz QZGHEFRODVSALY-CYBMUJFWSA-N 2 2 325.359 1.488 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NCC12CC(C1)C[NH2+]2 ZINC000659433643 452279088 /nfs/dbraw/zinc/27/90/88/452279088.db2.gz AZNXDYICWWLUME-RMXPPQQLSA-N 2 2 344.459 1.111 20 0 EDADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000643526314 452294288 /nfs/dbraw/zinc/29/42/88/452294288.db2.gz ZEMQSQVFIUMUBK-KBPBESRZSA-N 2 2 325.478 1.859 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645319799 452297671 /nfs/dbraw/zinc/29/76/71/452297671.db2.gz STUXQXKRZUNUQP-UHFFFAOYSA-N 2 2 349.479 1.545 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568892 452300013 /nfs/dbraw/zinc/30/00/13/452300013.db2.gz WKSDEVNXMGIXRW-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568892 452300022 /nfs/dbraw/zinc/30/00/22/452300022.db2.gz WKSDEVNXMGIXRW-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568892 452300032 /nfs/dbraw/zinc/30/00/32/452300032.db2.gz WKSDEVNXMGIXRW-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568892 452300039 /nfs/dbraw/zinc/30/00/39/452300039.db2.gz WKSDEVNXMGIXRW-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CC3CC2(C[NH3+])C3)([NH+]2CCCCC2)CC1 ZINC000659461808 452314379 /nfs/dbraw/zinc/31/43/79/452314379.db2.gz OUMDMQRXDMCSLY-UHFFFAOYSA-N 3 2 349.523 1.069 20 0 EDADLP O=C(NCCC1CC[NH2+]CC1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000652126104 452321573 /nfs/dbraw/zinc/32/15/73/452321573.db2.gz UAXOHBDMWFWSEQ-UHFFFAOYSA-N 2 2 331.464 1.871 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC/C=C/C[NH3+])CC2)c1 ZINC000641861821 452329172 /nfs/dbraw/zinc/32/91/72/452329172.db2.gz FJTCFXOEOIWFMY-NHZBNJEXSA-N 2 2 332.448 1.598 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)NC/C=C\C[NH3+])CC2)cc1F ZINC000641865457 452330252 /nfs/dbraw/zinc/33/02/52/452330252.db2.gz VQLSPYYOZCQNRW-IHWYPQMZSA-N 2 2 336.411 1.176 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)[nH+]c2c1 ZINC000652136294 452331819 /nfs/dbraw/zinc/33/18/19/452331819.db2.gz LNURFQVWKICYGG-KSSFIOAISA-N 2 2 327.432 1.913 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCNc1cccc[nH+]1 ZINC000638071452 452381820 /nfs/dbraw/zinc/38/18/20/452381820.db2.gz DJNOEWJBXKMYBV-KRWDZBQOSA-N 2 2 341.459 1.459 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCNc1cccc[nH+]1 ZINC000638071452 452381825 /nfs/dbraw/zinc/38/18/25/452381825.db2.gz DJNOEWJBXKMYBV-KRWDZBQOSA-N 2 2 341.459 1.459 20 0 EDADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652189045 452387229 /nfs/dbraw/zinc/38/72/29/452387229.db2.gz BCEYEPDNRHQEPQ-KBXCAEBGSA-N 2 2 338.448 1.820 20 0 EDADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652189045 452387236 /nfs/dbraw/zinc/38/72/36/452387236.db2.gz BCEYEPDNRHQEPQ-KBXCAEBGSA-N 2 2 338.448 1.820 20 0 EDADLP Cc1cccc2[nH+]c(CCNc3cc[nH+]c(N4CCOCC4)n3)cn21 ZINC000645421778 452393703 /nfs/dbraw/zinc/39/37/03/452393703.db2.gz WNUKYFSKISGSBB-UHFFFAOYSA-N 2 2 338.415 1.924 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000638080751 452398684 /nfs/dbraw/zinc/39/86/84/452398684.db2.gz DPJWNHUKDSQXOW-ZDUSSCGKSA-N 2 2 337.468 1.795 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)C3=CC[C@H]([NH3+])C3)CCCC2)no1 ZINC000638081406 452398782 /nfs/dbraw/zinc/39/87/82/452398782.db2.gz LHFLLBNAJGZKOS-AWEZNQCLSA-N 2 2 347.463 1.844 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1[nH+]ccn1C ZINC000659575578 452430582 /nfs/dbraw/zinc/43/05/82/452430582.db2.gz QFUYASNNSIQFOT-FVQBIDKESA-N 2 2 327.432 1.926 20 0 EDADLP COCCCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC[NH+](C)CC1 ZINC000652251340 452434328 /nfs/dbraw/zinc/43/43/28/452434328.db2.gz CWHFBSQWEVRFLF-UHFFFAOYSA-N 2 2 348.491 1.721 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2[nH+]1 ZINC000657681043 452441461 /nfs/dbraw/zinc/44/14/61/452441461.db2.gz NPHRZHVAHDURPS-OAHLLOKOSA-N 2 2 339.399 1.054 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(CO)c(F)cn3)CC2)CC1 ZINC000663731394 452465214 /nfs/dbraw/zinc/46/52/14/452465214.db2.gz IEXMMZGWLADNRV-UHFFFAOYSA-N 2 2 336.455 1.708 20 0 EDADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000652339673 452510431 /nfs/dbraw/zinc/51/04/31/452510431.db2.gz HQKFAWOIWUHQRL-KBXCAEBGSA-N 2 2 348.516 1.945 20 0 EDADLP COc1cccc([C@@]2(C)CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000661708934 452513014 /nfs/dbraw/zinc/51/30/14/452513014.db2.gz KLYCCVVRCYUHSZ-IBGZPJMESA-N 2 2 331.460 1.433 20 0 EDADLP COc1cccc([C@@]2(C)CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000661708934 452513024 /nfs/dbraw/zinc/51/30/24/452513024.db2.gz KLYCCVVRCYUHSZ-IBGZPJMESA-N 2 2 331.460 1.433 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351809 452528873 /nfs/dbraw/zinc/52/88/73/452528873.db2.gz YOECQTDTMJAQTC-RFUYNDQBSA-N 2 2 344.459 1.434 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351809 452528882 /nfs/dbraw/zinc/52/88/82/452528882.db2.gz YOECQTDTMJAQTC-RFUYNDQBSA-N 2 2 344.459 1.434 20 0 EDADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H]1CC[NH3+] ZINC000652353570 452532327 /nfs/dbraw/zinc/53/23/27/452532327.db2.gz QXBYLSQXIQLYSJ-UKRRQHHQSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H]1CC[NH3+] ZINC000652353570 452532333 /nfs/dbraw/zinc/53/23/33/452532333.db2.gz QXBYLSQXIQLYSJ-UKRRQHHQSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1c[nH+]ccc1N ZINC000647801198 452534366 /nfs/dbraw/zinc/53/43/66/452534366.db2.gz QSNXMTYMCKOFHA-NWDGAFQWSA-N 2 2 333.413 1.380 20 0 EDADLP COc1ccc(-c2noc([C@H](C)[N@H+](C)CCN3CC[NH2+]CC3)n2)cc1 ZINC000647836136 452573333 /nfs/dbraw/zinc/57/33/33/452573333.db2.gz ANHYREYVRSKJIL-AWEZNQCLSA-N 2 2 345.447 1.643 20 0 EDADLP COc1ccc(-c2noc([C@H](C)[N@@H+](C)CCN3CC[NH2+]CC3)n2)cc1 ZINC000647836136 452573339 /nfs/dbraw/zinc/57/33/39/452573339.db2.gz ANHYREYVRSKJIL-AWEZNQCLSA-N 2 2 345.447 1.643 20 0 EDADLP CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647871208 452610649 /nfs/dbraw/zinc/61/06/49/452610649.db2.gz ZRIJAUROCUDUBV-GFCCVEGCSA-N 2 2 346.431 1.784 20 0 EDADLP CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647871208 452610657 /nfs/dbraw/zinc/61/06/57/452610657.db2.gz ZRIJAUROCUDUBV-GFCCVEGCSA-N 2 2 346.431 1.784 20 0 EDADLP Cc1ccc2cc(Cl)cc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2n1 ZINC000647874195 452612259 /nfs/dbraw/zinc/61/22/59/452612259.db2.gz GKCOJDSXTQWPEB-AWEZNQCLSA-N 2 2 332.835 1.912 20 0 EDADLP Cc1ccc2cc(Cl)cc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2n1 ZINC000647874195 452612262 /nfs/dbraw/zinc/61/22/62/452612262.db2.gz GKCOJDSXTQWPEB-AWEZNQCLSA-N 2 2 332.835 1.912 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000663892379 452618726 /nfs/dbraw/zinc/61/87/26/452618726.db2.gz DXUFPQNGMXFDFV-UHFFFAOYSA-N 2 2 340.443 1.001 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(CO)c(F)c1 ZINC000663892379 452618737 /nfs/dbraw/zinc/61/87/37/452618737.db2.gz DXUFPQNGMXFDFV-UHFFFAOYSA-N 2 2 340.443 1.001 20 0 EDADLP C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@H]1CC[NH2+]C1 ZINC000647882001 452619986 /nfs/dbraw/zinc/61/99/86/452619986.db2.gz APPCPUIZGJMOJI-AWEZNQCLSA-N 2 2 326.462 1.400 20 0 EDADLP C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@H]1CC[NH2+]C1 ZINC000647882001 452619995 /nfs/dbraw/zinc/61/99/95/452619995.db2.gz APPCPUIZGJMOJI-AWEZNQCLSA-N 2 2 326.462 1.400 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000647901909 452642854 /nfs/dbraw/zinc/64/28/54/452642854.db2.gz XGQUPPLKWJUGAX-KSZLIROESA-N 2 2 343.471 1.570 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000647901909 452642864 /nfs/dbraw/zinc/64/28/64/452642864.db2.gz XGQUPPLKWJUGAX-KSZLIROESA-N 2 2 343.471 1.570 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583240 452667594 /nfs/dbraw/zinc/66/75/94/452667594.db2.gz LCKGMSWZOXUCTR-XQLPTFJDSA-N 2 2 337.468 1.761 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583240 452667604 /nfs/dbraw/zinc/66/76/04/452667604.db2.gz LCKGMSWZOXUCTR-XQLPTFJDSA-N 2 2 337.468 1.761 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCCOc2ccccc2F)CC[C@H]1[NH3+] ZINC000647936765 452676055 /nfs/dbraw/zinc/67/60/55/452676055.db2.gz KWAKAROHTAFCKY-GOEBONIOSA-N 2 2 337.439 1.770 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCCOc2ccccc2F)CC[C@H]1[NH3+] ZINC000647936765 452676064 /nfs/dbraw/zinc/67/60/64/452676064.db2.gz KWAKAROHTAFCKY-GOEBONIOSA-N 2 2 337.439 1.770 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC[C@H]1[NH3+] ZINC000647938642 452678183 /nfs/dbraw/zinc/67/81/83/452678183.db2.gz RBACFYRRHWXRDQ-QLFBSQMISA-N 2 2 333.432 1.002 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)CC[C@H]1[NH3+] ZINC000647938642 452678192 /nfs/dbraw/zinc/67/81/92/452678192.db2.gz RBACFYRRHWXRDQ-QLFBSQMISA-N 2 2 333.432 1.002 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCc2ccc(OCCOC)cc2)CC[C@H]1[NH3+] ZINC000647936987 452678676 /nfs/dbraw/zinc/67/86/76/452678676.db2.gz OWQQJIRWGJCJPA-FUHWJXTLSA-N 2 2 349.475 1.387 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(OCCOC)cc2)CC[C@H]1[NH3+] ZINC000647936987 452678683 /nfs/dbraw/zinc/67/86/83/452678683.db2.gz OWQQJIRWGJCJPA-FUHWJXTLSA-N 2 2 349.475 1.387 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@@H]1[NH3+] ZINC000647940377 452681254 /nfs/dbraw/zinc/68/12/54/452681254.db2.gz WECMKKXKVAEMGN-HIFRSBDPSA-N 2 2 333.432 1.846 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@@H]1[NH3+] ZINC000647940377 452681261 /nfs/dbraw/zinc/68/12/61/452681261.db2.gz WECMKKXKVAEMGN-HIFRSBDPSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659814353 452704774 /nfs/dbraw/zinc/70/47/74/452704774.db2.gz NBXXINILXOMTJJ-BRWVUGGUSA-N 2 2 336.524 1.249 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000645792176 452791268 /nfs/dbraw/zinc/79/12/68/452791268.db2.gz YZQRIVOKJLFZPY-UHFFFAOYSA-N 2 2 337.414 1.747 20 0 EDADLP c1cnc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cn1 ZINC000658291596 452833233 /nfs/dbraw/zinc/83/32/33/452833233.db2.gz ATSFLHIOCZVXKX-KRWDZBQOSA-N 2 2 331.464 1.288 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1[nH+]ccn1C ZINC000662097637 452840920 /nfs/dbraw/zinc/84/09/20/452840920.db2.gz CLENAVJAMIKYNG-AEGPPILISA-N 2 2 335.452 1.158 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)c1 ZINC000643961959 452873767 /nfs/dbraw/zinc/87/37/67/452873767.db2.gz KFNBGZRZCNIJBS-KSZLIROESA-N 2 2 331.460 1.466 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)c1 ZINC000643961959 452873774 /nfs/dbraw/zinc/87/37/74/452873774.db2.gz KFNBGZRZCNIJBS-KSZLIROESA-N 2 2 331.460 1.466 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCOCC1 ZINC000648166800 452878126 /nfs/dbraw/zinc/87/81/26/452878126.db2.gz UXVOBWHEOLZVBY-HRCADAONSA-N 2 2 334.464 1.862 20 0 EDADLP CCOc1ccccc1OCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154203 452891188 /nfs/dbraw/zinc/89/11/88/452891188.db2.gz FJYDGJXNAQPNDT-QGZVFWFLSA-N 2 2 334.460 1.995 20 0 EDADLP CCOc1ccccc1OCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154203 452891196 /nfs/dbraw/zinc/89/11/96/452891196.db2.gz FJYDGJXNAQPNDT-QGZVFWFLSA-N 2 2 334.460 1.995 20 0 EDADLP CC[C@@](C)(CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000656153188 452906845 /nfs/dbraw/zinc/90/68/45/452906845.db2.gz PFQHSXYUKGHVPB-WMZOPIPTSA-N 2 2 340.512 1.611 20 0 EDADLP CC[C@@](C)(CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000656153188 452906850 /nfs/dbraw/zinc/90/68/50/452906850.db2.gz PFQHSXYUKGHVPB-WMZOPIPTSA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000648201391 452907017 /nfs/dbraw/zinc/90/70/17/452907017.db2.gz JDGUFFMSEYSRPY-HNNXBMFYSA-N 2 2 333.480 1.282 20 0 EDADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc2n1 ZINC000666490820 452907639 /nfs/dbraw/zinc/90/76/39/452907639.db2.gz ZZZIHSGWDZZJSK-UHFFFAOYSA-N 2 2 343.475 1.970 20 0 EDADLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc2n1 ZINC000666490820 452907648 /nfs/dbraw/zinc/90/76/48/452907648.db2.gz ZZZIHSGWDZZJSK-UHFFFAOYSA-N 2 2 343.475 1.970 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000650705378 452943328 /nfs/dbraw/zinc/94/33/28/452943328.db2.gz FSFKRPPYYWPUOW-UHFFFAOYSA-N 2 2 331.460 1.779 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1)Nc1ccccc1 ZINC000662251508 452978851 /nfs/dbraw/zinc/97/88/51/452978851.db2.gz GHEKKFDZPQPCQW-IAGOWNOFSA-N 2 2 332.448 1.651 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1)Nc1ccccc1 ZINC000662251508 452978856 /nfs/dbraw/zinc/97/88/56/452978856.db2.gz GHEKKFDZPQPCQW-IAGOWNOFSA-N 2 2 332.448 1.651 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC2=CCSC2)C1 ZINC000662269468 452998913 /nfs/dbraw/zinc/99/89/13/452998913.db2.gz HACGDPPKQDKECF-INIZCTEOSA-N 2 2 341.521 1.064 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC2=CCSC2)C1 ZINC000662269468 452998920 /nfs/dbraw/zinc/99/89/20/452998920.db2.gz HACGDPPKQDKECF-INIZCTEOSA-N 2 2 341.521 1.064 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC2=CCSC2)C1 ZINC000662269468 452998931 /nfs/dbraw/zinc/99/89/31/452998931.db2.gz HACGDPPKQDKECF-INIZCTEOSA-N 2 2 341.521 1.064 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC2=CCSC2)C1 ZINC000662269468 452998945 /nfs/dbraw/zinc/99/89/45/452998945.db2.gz HACGDPPKQDKECF-INIZCTEOSA-N 2 2 341.521 1.064 20 0 EDADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000662286218 453009748 /nfs/dbraw/zinc/00/97/48/453009748.db2.gz NBASTOLEFPEEJG-UHFFFAOYSA-N 2 2 345.487 1.172 20 0 EDADLP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286470 453012084 /nfs/dbraw/zinc/01/20/84/453012084.db2.gz IAJVAKBXYMGLSL-CQSZACIVSA-N 2 2 345.443 1.656 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)CCO1 ZINC000662315555 453031948 /nfs/dbraw/zinc/03/19/48/453031948.db2.gz GIGWHYSWTVEDOD-LJQANCHMSA-N 2 2 345.487 1.614 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)CCO1 ZINC000662315555 453031960 /nfs/dbraw/zinc/03/19/60/453031960.db2.gz GIGWHYSWTVEDOD-LJQANCHMSA-N 2 2 345.487 1.614 20 0 EDADLP CN(C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662315560 453032549 /nfs/dbraw/zinc/03/25/49/453032549.db2.gz GJPHLOUNHVBORF-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP CN(C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662315560 453032559 /nfs/dbraw/zinc/03/25/59/453032559.db2.gz GJPHLOUNHVBORF-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP COc1cc(C)ccc1C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000648370710 453038816 /nfs/dbraw/zinc/03/88/16/453038816.db2.gz SKEZSTOFAYZWCE-HKUYNNGSSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C)ccc1C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000648370710 453038826 /nfs/dbraw/zinc/03/88/26/453038826.db2.gz SKEZSTOFAYZWCE-HKUYNNGSSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C)ccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000648370710 453038836 /nfs/dbraw/zinc/03/88/36/453038836.db2.gz SKEZSTOFAYZWCE-HKUYNNGSSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C)ccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000648370710 453038841 /nfs/dbraw/zinc/03/88/41/453038841.db2.gz SKEZSTOFAYZWCE-HKUYNNGSSA-N 2 2 347.503 1.840 20 0 EDADLP CN(CCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1)CC[NH+](C)C ZINC000664493300 453138510 /nfs/dbraw/zinc/13/85/10/453138510.db2.gz HOJFADXYSLOWAZ-UHFFFAOYSA-N 2 2 331.464 1.651 20 0 EDADLP CN(CCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1)CC[NH+](C)C ZINC000664493300 453138517 /nfs/dbraw/zinc/13/85/17/453138517.db2.gz HOJFADXYSLOWAZ-UHFFFAOYSA-N 2 2 331.464 1.651 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662447686 453155574 /nfs/dbraw/zinc/15/55/74/453155574.db2.gz DATLCXNHQBWRBQ-UHFFFAOYSA-N 2 2 345.472 1.085 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000662457392 453164910 /nfs/dbraw/zinc/16/49/10/453164910.db2.gz HZWPVOLGITWUJM-VQIMIIECSA-N 3 2 342.487 1.506 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000662457392 453164919 /nfs/dbraw/zinc/16/49/19/453164919.db2.gz HZWPVOLGITWUJM-VQIMIIECSA-N 3 2 342.487 1.506 20 0 EDADLP CC[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000652991929 453181049 /nfs/dbraw/zinc/18/10/49/453181049.db2.gz WZPSYXBPDPCECH-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP CC[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000652991929 453181052 /nfs/dbraw/zinc/18/10/52/453181052.db2.gz WZPSYXBPDPCECH-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000651012207 453186547 /nfs/dbraw/zinc/18/65/47/453186547.db2.gz LFCVFEYCXITDFN-DOTOQJQBSA-N 2 2 332.448 1.077 20 0 EDADLP [NH3+][C@H](c1cn(Cc2cn3cc(Cl)ccc3[nH+]2)nn1)[C@@H]1CCCO1 ZINC000656450880 453192964 /nfs/dbraw/zinc/19/29/64/453192964.db2.gz GTDHDRPFCCSMQI-DZGCQCFKSA-N 2 2 332.795 1.806 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)[C@H](C)[NH+]3CCSCC3)cn21 ZINC000648709723 453200916 /nfs/dbraw/zinc/20/09/16/453200916.db2.gz FSUQEVKVJGHOLB-AWEZNQCLSA-N 2 2 332.473 1.739 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)cn21 ZINC000646196493 453208111 /nfs/dbraw/zinc/20/81/11/453208111.db2.gz MJIYALYZDDXOPL-HUUCEWRRSA-N 2 2 329.448 1.873 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H](C)O1 ZINC000651046448 453220336 /nfs/dbraw/zinc/22/03/36/453220336.db2.gz AXRDXELRJMFQMZ-GASCZTMLSA-N 2 2 334.464 1.377 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H](C)O1 ZINC000651046448 453220338 /nfs/dbraw/zinc/22/03/38/453220338.db2.gz AXRDXELRJMFQMZ-GASCZTMLSA-N 2 2 334.464 1.377 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000653063516 453240023 /nfs/dbraw/zinc/24/00/23/453240023.db2.gz KMRPMMRIARRHBG-HNNXBMFYSA-N 2 2 344.415 1.427 20 0 EDADLP CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653074335 453252661 /nfs/dbraw/zinc/25/26/61/453252661.db2.gz DXWLIBSWAXRDGW-OAHLLOKOSA-N 2 2 334.464 1.823 20 0 EDADLP CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)C(=O)Nc1ccccc1 ZINC000653083396 453264870 /nfs/dbraw/zinc/26/48/70/453264870.db2.gz XWKKQKUMJYSFGT-GDBMZVCRSA-N 2 2 334.464 1.531 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC000648788168 453276083 /nfs/dbraw/zinc/27/60/83/453276083.db2.gz UVOZIFPVQCCHKN-JKSUJKDBSA-N 2 2 336.480 1.966 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC000648788168 453276092 /nfs/dbraw/zinc/27/60/92/453276092.db2.gz UVOZIFPVQCCHKN-JKSUJKDBSA-N 2 2 336.480 1.966 20 0 EDADLP CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C12CCCCC2 ZINC000653096245 453280350 /nfs/dbraw/zinc/28/03/50/453280350.db2.gz GWCLMJKDZRWEBX-BZUAXINKSA-N 2 2 325.497 1.852 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cnccn2)cc[nH+]1 ZINC000656564582 453283838 /nfs/dbraw/zinc/28/38/38/453283838.db2.gz BGSBUCXVILWDKO-ZFWWWQNUSA-N 2 2 345.426 1.381 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cnccn2)cc[nH+]1 ZINC000656564582 453283850 /nfs/dbraw/zinc/28/38/50/453283850.db2.gz BGSBUCXVILWDKO-ZFWWWQNUSA-N 2 2 345.426 1.381 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccccc1OC(F)(F)F ZINC000653103460 453285999 /nfs/dbraw/zinc/28/59/99/453285999.db2.gz IKJKAFHMUAAVPP-LBPRGKRZSA-N 2 2 333.354 1.523 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000653121072 453310591 /nfs/dbraw/zinc/31/05/91/453310591.db2.gz MRPYYRVSXWCFIO-HIFRSBDPSA-N 2 2 338.427 1.634 20 0 EDADLP O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660466752 453327621 /nfs/dbraw/zinc/32/76/21/453327621.db2.gz BRGYUPKPUFSTKA-IAGOWNOFSA-N 2 2 338.448 1.344 20 0 EDADLP O[C@@H](COCc1ccco1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660466752 453327625 /nfs/dbraw/zinc/32/76/25/453327625.db2.gz BRGYUPKPUFSTKA-IAGOWNOFSA-N 2 2 338.448 1.344 20 0 EDADLP C[C@H](C(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662610577 453330921 /nfs/dbraw/zinc/33/09/21/453330921.db2.gz PKBFLSKOGLGPHT-CQSZACIVSA-N 2 2 336.455 1.532 20 0 EDADLP CC(C)CNC(=O)CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474634 453334724 /nfs/dbraw/zinc/33/47/24/453334724.db2.gz KOCKGUMWLKXBLZ-KRWDZBQOSA-N 2 2 325.497 1.726 20 0 EDADLP CC(C)CNC(=O)CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474634 453334731 /nfs/dbraw/zinc/33/47/31/453334731.db2.gz KOCKGUMWLKXBLZ-KRWDZBQOSA-N 2 2 325.497 1.726 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000651195862 453349401 /nfs/dbraw/zinc/34/94/01/453349401.db2.gz DAXKKEUAQCAHTP-DLBZAZTESA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000651195862 453349408 /nfs/dbraw/zinc/34/94/08/453349408.db2.gz DAXKKEUAQCAHTP-DLBZAZTESA-N 2 2 340.512 1.469 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000653158511 453350976 /nfs/dbraw/zinc/35/09/76/453350976.db2.gz BTACPYGYGUARRN-PWSUYJOCSA-N 2 2 339.308 1.963 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC000664752606 453376401 /nfs/dbraw/zinc/37/64/01/453376401.db2.gz HOQHUMPMCQXFRR-HNNXBMFYSA-N 2 2 334.464 1.042 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC000664752606 453376406 /nfs/dbraw/zinc/37/64/06/453376406.db2.gz HOQHUMPMCQXFRR-HNNXBMFYSA-N 2 2 334.464 1.042 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662664300 453378109 /nfs/dbraw/zinc/37/81/09/453378109.db2.gz QYPAAOWECHIJAJ-AWEZNQCLSA-N 2 2 339.403 1.170 20 0 EDADLP [NH3+][C@@H](CC(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1ccccc1 ZINC000662704180 453426431 /nfs/dbraw/zinc/42/64/31/453426431.db2.gz VDWJQANUAWPVGS-SFHVURJKSA-N 2 2 331.460 1.647 20 0 EDADLP C[C@H](CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)n1cc[nH+]c1 ZINC000651286005 453437152 /nfs/dbraw/zinc/43/71/52/453437152.db2.gz LOIHZIJBFZQWOB-IAGOWNOFSA-N 2 2 333.480 1.463 20 0 EDADLP C[C@H](CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)n1cc[nH+]c1 ZINC000651286005 453437162 /nfs/dbraw/zinc/43/71/62/453437162.db2.gz LOIHZIJBFZQWOB-IAGOWNOFSA-N 2 2 333.480 1.463 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CC3([NH3+])CCC3)c2)CC1 ZINC000646518128 453450208 /nfs/dbraw/zinc/45/02/08/453450208.db2.gz XRKLZHCDZLWOSL-UHFFFAOYSA-N 2 2 344.459 1.561 20 0 EDADLP Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)NCC[NH+]1CCC1 ZINC000651327884 453473545 /nfs/dbraw/zinc/47/35/45/453473545.db2.gz LNZUVZOIHGQLLC-INIZCTEOSA-N 2 2 327.432 1.709 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651333845 453477944 /nfs/dbraw/zinc/47/79/44/453477944.db2.gz ZBUAACCDLJAIOU-MRXNPFEDSA-N 2 2 347.507 1.152 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662756971 453493752 /nfs/dbraw/zinc/49/37/52/453493752.db2.gz JGBACTGICDDKCL-MRXNPFEDSA-N 2 2 340.418 1.108 20 0 EDADLP C[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662756971 453493763 /nfs/dbraw/zinc/49/37/63/453493763.db2.gz JGBACTGICDDKCL-MRXNPFEDSA-N 2 2 340.418 1.108 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1(C)C ZINC000662760055 453498334 /nfs/dbraw/zinc/49/83/34/453498334.db2.gz VLLWEWCDMMOZST-SMDDNHRTSA-N 2 2 328.420 1.443 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3C(C)(C)C3(F)F)C2)CC1 ZINC000660714112 453542603 /nfs/dbraw/zinc/54/26/03/453542603.db2.gz XMUYKHCDABXNQL-TZMCWYRMSA-N 2 2 344.450 1.745 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3C(C)(C)C3(F)F)C2)CC1 ZINC000660714112 453542607 /nfs/dbraw/zinc/54/26/07/453542607.db2.gz XMUYKHCDABXNQL-TZMCWYRMSA-N 2 2 344.450 1.745 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662820642 453550913 /nfs/dbraw/zinc/55/09/13/453550913.db2.gz VFUQNFFWJWIITR-HNNXBMFYSA-N 2 2 341.402 1.534 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850077 453570570 /nfs/dbraw/zinc/57/05/70/453570570.db2.gz MVJUDYNXNPXJLY-HCXYKTFWSA-N 2 2 343.471 1.486 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850077 453570573 /nfs/dbraw/zinc/57/05/73/453570573.db2.gz MVJUDYNXNPXJLY-HCXYKTFWSA-N 2 2 343.471 1.486 20 0 EDADLP [NH3+]C[C@@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1ccc(F)cc1 ZINC000662909373 453598746 /nfs/dbraw/zinc/59/87/46/453598746.db2.gz DDRNJSLQMWEXAU-GOSISDBHSA-N 2 2 349.450 1.439 20 0 EDADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233560 453617274 /nfs/dbraw/zinc/61/72/74/453617274.db2.gz KSBFECPDYJMNOB-RBUKOAKNSA-N 3 2 337.508 1.234 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000660871755 453626603 /nfs/dbraw/zinc/62/66/03/453626603.db2.gz RJSFYTRIINZQIH-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCO1 ZINC000662972079 453630641 /nfs/dbraw/zinc/63/06/41/453630641.db2.gz HVTLVFAHLAXKJN-WBMJQRKESA-N 2 2 341.402 1.534 20 0 EDADLP C[C@H](CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[NH+](C)C ZINC000657093060 453676049 /nfs/dbraw/zinc/67/60/49/453676049.db2.gz WFRXPLNCQCGHBP-CQSZACIVSA-N 2 2 336.461 1.550 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000659281170 453698845 /nfs/dbraw/zinc/69/88/45/453698845.db2.gz OSVCEDFPLPQZKY-INIZCTEOSA-N 2 2 330.432 1.642 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)cc1 ZINC000665463341 453703168 /nfs/dbraw/zinc/70/31/68/453703168.db2.gz DIBQFTJZCKXBTN-JZXOWHBKSA-N 2 2 329.444 1.290 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)cc1 ZINC000665463341 453703171 /nfs/dbraw/zinc/70/31/71/453703171.db2.gz DIBQFTJZCKXBTN-JZXOWHBKSA-N 2 2 329.444 1.290 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000665463341 453703174 /nfs/dbraw/zinc/70/31/74/453703174.db2.gz DIBQFTJZCKXBTN-JZXOWHBKSA-N 2 2 329.444 1.290 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000665463341 453703177 /nfs/dbraw/zinc/70/31/77/453703177.db2.gz DIBQFTJZCKXBTN-JZXOWHBKSA-N 2 2 329.444 1.290 20 0 EDADLP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000659289953 453704143 /nfs/dbraw/zinc/70/41/43/453704143.db2.gz HRNXQPXPVHYQID-LJQANCHMSA-N 2 2 336.439 1.960 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccccc1-n1cccn1 ZINC000665575385 453754598 /nfs/dbraw/zinc/75/45/98/453754598.db2.gz RAUTZEZFMMGZNU-UHFFFAOYSA-N 2 2 344.463 1.877 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccccc1-n1cccn1 ZINC000665575385 453754603 /nfs/dbraw/zinc/75/46/03/453754603.db2.gz RAUTZEZFMMGZNU-UHFFFAOYSA-N 2 2 344.463 1.877 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663304868 453763271 /nfs/dbraw/zinc/76/32/71/453763271.db2.gz UINCFQPZJKCXLB-LPHOPBHVSA-N 2 2 345.487 1.843 20 0 EDADLP CCCn1nccc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000657332273 453766903 /nfs/dbraw/zinc/76/69/03/453766903.db2.gz FRHFGYKQPJBXRH-UHFFFAOYSA-N 2 2 328.464 1.730 20 0 EDADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000657366046 453776177 /nfs/dbraw/zinc/77/61/77/453776177.db2.gz BEQMAHQBLSXZAC-SQNIBIBYSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)COC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663372658 453782827 /nfs/dbraw/zinc/78/28/27/453782827.db2.gz OZTUXEOTSHZQIA-PMACEKPBSA-N 2 2 349.519 1.426 20 0 EDADLP CC(C)COC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663372658 453782829 /nfs/dbraw/zinc/78/28/29/453782829.db2.gz OZTUXEOTSHZQIA-PMACEKPBSA-N 2 2 349.519 1.426 20 0 EDADLP O=C(NC1CC[NH+](C2CCC2)CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661289532 453784946 /nfs/dbraw/zinc/78/49/46/453784946.db2.gz PCPFHULUXGTIPG-QGZVFWFLSA-N 2 2 336.480 1.119 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)C(C)C ZINC000663421273 453793548 /nfs/dbraw/zinc/79/35/48/453793548.db2.gz YHHBUCAIRSGLBK-CVEARBPZSA-N 2 2 328.501 1.514 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)C(C)C ZINC000663421273 453793549 /nfs/dbraw/zinc/79/35/49/453793549.db2.gz YHHBUCAIRSGLBK-CVEARBPZSA-N 2 2 328.501 1.514 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000661396940 453809267 /nfs/dbraw/zinc/80/92/67/453809267.db2.gz OEPJBBTUYPGNNB-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000661396940 453809268 /nfs/dbraw/zinc/80/92/68/453809268.db2.gz OEPJBBTUYPGNNB-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP CO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000679970569 486685201 /nfs/dbraw/zinc/68/52/01/486685201.db2.gz JEKFWEHRFWEXQZ-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP CO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000679970569 486685205 /nfs/dbraw/zinc/68/52/05/486685205.db2.gz JEKFWEHRFWEXQZ-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1COCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683380669 486701380 /nfs/dbraw/zinc/70/13/80/486701380.db2.gz MLYKDMPYGFJMNS-PVAVHDDUSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1COCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683380669 486701381 /nfs/dbraw/zinc/70/13/81/486701381.db2.gz MLYKDMPYGFJMNS-PVAVHDDUSA-N 2 2 338.496 1.221 20 0 EDADLP c1cc(N2CCOCC2)nc(NCC2([NH+]3CCCC3)CCOCC2)[nH+]1 ZINC000676309574 486732003 /nfs/dbraw/zinc/73/20/03/486732003.db2.gz CVMPQSXSYWWLQV-UHFFFAOYSA-N 2 2 347.463 1.370 20 0 EDADLP C[NH2+]CCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000414904286 486733683 /nfs/dbraw/zinc/73/36/83/486733683.db2.gz NHTMZTSEIPIAPJ-GJZGRUSLSA-N 2 2 334.464 1.979 20 0 EDADLP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000671744093 486739307 /nfs/dbraw/zinc/73/93/07/486739307.db2.gz BFNOYVWKOLQYNJ-CYBMUJFWSA-N 2 2 325.403 1.650 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000515671578 486739791 /nfs/dbraw/zinc/73/97/91/486739791.db2.gz NTEHQIAZGRAGMD-RISCZKNCSA-N 2 2 327.436 1.399 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000515671578 486739796 /nfs/dbraw/zinc/73/97/96/486739796.db2.gz NTEHQIAZGRAGMD-RISCZKNCSA-N 2 2 327.436 1.399 20 0 EDADLP C[NH2+]CCN(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417832811 486815144 /nfs/dbraw/zinc/81/51/44/486815144.db2.gz RMLSKVCBRKQURM-KBPBESRZSA-N 2 2 340.493 1.371 20 0 EDADLP C[NH2+]CCN(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417832811 486815153 /nfs/dbraw/zinc/81/51/53/486815153.db2.gz RMLSKVCBRKQURM-KBPBESRZSA-N 2 2 340.493 1.371 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000680580486 486818915 /nfs/dbraw/zinc/81/89/15/486818915.db2.gz CCNFZIKYHRGFSN-GOSISDBHSA-N 2 2 345.491 1.422 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc4n3CCC4)CC2)CC1 ZINC000667602270 486869526 /nfs/dbraw/zinc/86/95/26/486869526.db2.gz XXLBIYLQXORNSD-UHFFFAOYSA-N 2 2 345.491 1.205 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000680875867 486881241 /nfs/dbraw/zinc/88/12/41/486881241.db2.gz KNMGCFCEFRGTMZ-QGZVFWFLSA-N 2 2 340.489 1.636 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000680875867 486881245 /nfs/dbraw/zinc/88/12/45/486881245.db2.gz KNMGCFCEFRGTMZ-QGZVFWFLSA-N 2 2 340.489 1.636 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cn(C4CCC4)nn3)CC2)CC1 ZINC000667688470 486914986 /nfs/dbraw/zinc/91/49/86/486914986.db2.gz UCHNGMCZIWSBDH-UHFFFAOYSA-N 2 2 346.523 1.994 20 0 EDADLP Cc1c(CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000684116618 486950128 /nfs/dbraw/zinc/95/01/28/486950128.db2.gz JTWDYQAECJCYMS-MRXNPFEDSA-N 2 2 348.495 1.038 20 0 EDADLP Cc1c(CN(C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000684116618 486950131 /nfs/dbraw/zinc/95/01/31/486950131.db2.gz JTWDYQAECJCYMS-MRXNPFEDSA-N 2 2 348.495 1.038 20 0 EDADLP CO[C@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000667954434 487030345 /nfs/dbraw/zinc/03/03/45/487030345.db2.gz GTYNXNHBYPUSSJ-IAGOWNOFSA-N 2 2 325.497 1.674 20 0 EDADLP CO[C@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000667954434 487030348 /nfs/dbraw/zinc/03/03/48/487030348.db2.gz GTYNXNHBYPUSSJ-IAGOWNOFSA-N 2 2 325.497 1.674 20 0 EDADLP Cc1cccn2c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnc12 ZINC000667959626 487034580 /nfs/dbraw/zinc/03/45/80/487034580.db2.gz SXYHNAHIYSRAFD-UHFFFAOYSA-N 2 2 332.452 1.648 20 0 EDADLP Cc1cccn2c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cnc12 ZINC000667959626 487034583 /nfs/dbraw/zinc/03/45/83/487034583.db2.gz SXYHNAHIYSRAFD-UHFFFAOYSA-N 2 2 332.452 1.648 20 0 EDADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000684372998 487040186 /nfs/dbraw/zinc/04/01/86/487040186.db2.gz WBCVNKKHROHJQG-GJZGRUSLSA-N 2 2 349.475 1.559 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc4n[nH]cc4c3)C2)CC1 ZINC000684441098 487061099 /nfs/dbraw/zinc/06/10/99/487061099.db2.gz XKRKWDIDYRBIDB-MRXNPFEDSA-N 2 2 341.459 1.390 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc4n[nH]cc4c3)C2)CC1 ZINC000684441098 487061103 /nfs/dbraw/zinc/06/11/03/487061103.db2.gz XKRKWDIDYRBIDB-MRXNPFEDSA-N 2 2 341.459 1.390 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673810478 487119221 /nfs/dbraw/zinc/11/92/21/487119221.db2.gz QIDNZZJEFQXIBF-UHFFFAOYSA-N 2 2 330.392 1.063 20 0 EDADLP COc1ccc(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000677579467 487124027 /nfs/dbraw/zinc/12/40/27/487124027.db2.gz RFHDSDSPBARKJQ-UHFFFAOYSA-N 2 2 349.479 1.258 20 0 EDADLP C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000673862757 487137746 /nfs/dbraw/zinc/13/77/46/487137746.db2.gz GERZTQWFKRCNPJ-ZIAGYGMSSA-N 2 2 344.419 1.498 20 0 EDADLP O=C(CC[N@H+]1CC[C@H](C(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000677730314 487161145 /nfs/dbraw/zinc/16/11/45/487161145.db2.gz BQWLOKXRUJWXMP-AWEZNQCLSA-N 2 2 338.402 1.707 20 0 EDADLP O=C(CC[N@@H+]1CC[C@H](C(F)F)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000677730314 487161151 /nfs/dbraw/zinc/16/11/51/487161151.db2.gz BQWLOKXRUJWXMP-AWEZNQCLSA-N 2 2 338.402 1.707 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000678119937 487251834 /nfs/dbraw/zinc/25/18/34/487251834.db2.gz GSQKYIFOTHOGQV-HNNXBMFYSA-N 2 2 326.462 1.246 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000678119937 487251839 /nfs/dbraw/zinc/25/18/39/487251839.db2.gz GSQKYIFOTHOGQV-HNNXBMFYSA-N 2 2 326.462 1.246 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)nc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678286439 487281728 /nfs/dbraw/zinc/28/17/28/487281728.db2.gz WVZMVYASABKOHP-AEFFLSMTSA-N 2 2 331.508 1.605 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)nc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678286439 487281730 /nfs/dbraw/zinc/28/17/30/487281730.db2.gz WVZMVYASABKOHP-AEFFLSMTSA-N 2 2 331.508 1.605 20 0 EDADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000678427160 487306924 /nfs/dbraw/zinc/30/69/24/487306924.db2.gz KNFPDUNWXNUQFS-ROUUACIJSA-N 2 2 332.492 1.756 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CCC2 ZINC000685647019 487307434 /nfs/dbraw/zinc/30/74/34/487307434.db2.gz DUTKVDZUJQTNOF-CRAIPNDOSA-N 2 2 349.500 1.785 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CCC2 ZINC000685647019 487307436 /nfs/dbraw/zinc/30/74/36/487307436.db2.gz DUTKVDZUJQTNOF-CRAIPNDOSA-N 2 2 349.500 1.785 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000682228834 487325588 /nfs/dbraw/zinc/32/55/88/487325588.db2.gz FERQAJOOWBAFCU-AWEZNQCLSA-N 2 2 329.404 1.520 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000678521706 487326340 /nfs/dbraw/zinc/32/63/40/487326340.db2.gz KJOLOBKGVMAECD-LJQANCHMSA-N 2 2 342.418 1.674 20 0 EDADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000678592293 487339916 /nfs/dbraw/zinc/33/99/16/487339916.db2.gz PEZHZIFLAFKZHM-DLBZAZTESA-N 2 2 346.475 1.282 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC000675236172 487391809 /nfs/dbraw/zinc/39/18/09/487391809.db2.gz XVKOVFOSTIKBOL-AWEZNQCLSA-N 2 2 331.420 1.727 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC000675236172 487391812 /nfs/dbraw/zinc/39/18/12/487391812.db2.gz XVKOVFOSTIKBOL-AWEZNQCLSA-N 2 2 331.420 1.727 20 0 EDADLP C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675311655 487397687 /nfs/dbraw/zinc/39/76/87/487397687.db2.gz IFGFAPSQDDZHLG-OWCLPIDISA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675311655 487397690 /nfs/dbraw/zinc/39/76/90/487397690.db2.gz IFGFAPSQDDZHLG-OWCLPIDISA-N 2 2 338.496 1.269 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC2C[NH2+]C2)c(C)c1 ZINC000669540625 485524543 /nfs/dbraw/zinc/52/45/43/485524543.db2.gz RYXNCCLOKKWGJS-KRWDZBQOSA-N 2 2 327.432 1.760 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000669542855 485528704 /nfs/dbraw/zinc/52/87/04/485528704.db2.gz OBOHVBXQIXSUHS-INIZCTEOSA-N 2 2 331.464 1.691 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000669548301 485539687 /nfs/dbraw/zinc/53/96/87/485539687.db2.gz QKUAMZNOMUMFEN-NILFDRSVSA-N 2 2 340.855 1.358 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000669548301 485539694 /nfs/dbraw/zinc/53/96/94/485539694.db2.gz QKUAMZNOMUMFEN-NILFDRSVSA-N 2 2 340.855 1.358 20 0 EDADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)no1 ZINC000670986197 485610559 /nfs/dbraw/zinc/61/05/59/485610559.db2.gz QMFRGYGRUMGRQL-HNNXBMFYSA-N 2 2 336.436 1.498 20 0 EDADLP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)no1 ZINC000670986197 485610565 /nfs/dbraw/zinc/61/05/65/485610565.db2.gz QMFRGYGRUMGRQL-HNNXBMFYSA-N 2 2 336.436 1.498 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000325053104 485636987 /nfs/dbraw/zinc/63/69/87/485636987.db2.gz OPUXLIGBQNMLJB-QAPCUYQASA-N 2 2 331.460 1.510 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000671190002 485885863 /nfs/dbraw/zinc/88/58/63/485885863.db2.gz SIGZTHIMLPSRAQ-UHFFFAOYSA-N 2 2 349.328 1.588 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C[NH3+])o3)c[nH+]2)CCO1 ZINC000237663413 485995750 /nfs/dbraw/zinc/99/57/50/485995750.db2.gz ROIPGAWLULNEMJ-LBPRGKRZSA-N 2 2 330.388 1.288 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000669387998 486023342 /nfs/dbraw/zinc/02/33/42/486023342.db2.gz QGJSXVCMYBEPDL-BHYGNILZSA-N 2 2 343.475 1.819 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc2cnccc2s1 ZINC000668688511 486048503 /nfs/dbraw/zinc/04/85/03/486048503.db2.gz OTEQGEFRUIPVBY-UHFFFAOYSA-N 2 2 347.488 1.789 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc2cnccc2s1 ZINC000668688511 486048509 /nfs/dbraw/zinc/04/85/09/486048509.db2.gz OTEQGEFRUIPVBY-UHFFFAOYSA-N 2 2 347.488 1.789 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)CCOC2 ZINC000668690638 486052562 /nfs/dbraw/zinc/05/25/62/486052562.db2.gz XBTXCIQIBYUIKR-UHFFFAOYSA-N 2 2 345.487 1.857 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)CCOC2 ZINC000668690638 486052567 /nfs/dbraw/zinc/05/25/67/486052567.db2.gz XBTXCIQIBYUIKR-UHFFFAOYSA-N 2 2 345.487 1.857 20 0 EDADLP COc1cccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1F ZINC000669681827 486065005 /nfs/dbraw/zinc/06/50/05/486065005.db2.gz LJQQBHPGUGDXHP-UHFFFAOYSA-N 2 2 337.439 1.867 20 0 EDADLP COc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1F ZINC000669681291 486065033 /nfs/dbraw/zinc/06/50/33/486065033.db2.gz NQYMUQVOKUZRIG-OAHLLOKOSA-N 2 2 337.439 1.867 20 0 EDADLP COc1cccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1F ZINC000669681291 486065036 /nfs/dbraw/zinc/06/50/36/486065036.db2.gz NQYMUQVOKUZRIG-OAHLLOKOSA-N 2 2 337.439 1.867 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669410639 486104811 /nfs/dbraw/zinc/10/48/11/486104811.db2.gz YGGKBJPCIPOZLD-HZPDHXFCSA-N 2 2 334.464 1.355 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669410639 486104819 /nfs/dbraw/zinc/10/48/19/486104819.db2.gz YGGKBJPCIPOZLD-HZPDHXFCSA-N 2 2 334.464 1.355 20 0 EDADLP COCC1([N@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000677728180 486119176 /nfs/dbraw/zinc/11/91/76/486119176.db2.gz QNMNRIRXIZYHTO-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP COCC1([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000677728180 486119180 /nfs/dbraw/zinc/11/91/80/486119180.db2.gz QNMNRIRXIZYHTO-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000668793083 486202632 /nfs/dbraw/zinc/20/26/32/486202632.db2.gz CUQXYSTUJJHLNR-HOCLYGCPSA-N 2 2 327.432 1.738 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000392011487 486545222 /nfs/dbraw/zinc/54/52/22/486545222.db2.gz SCHOKFPPVAXKMR-HNNXBMFYSA-N 2 2 342.365 1.709 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000670082531 486607966 /nfs/dbraw/zinc/60/79/66/486607966.db2.gz VYCREYHXNVQKAV-MRXNPFEDSA-N 2 2 325.416 1.878 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000670082531 486607968 /nfs/dbraw/zinc/60/79/68/486607968.db2.gz VYCREYHXNVQKAV-MRXNPFEDSA-N 2 2 325.416 1.878 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000670082530 486608204 /nfs/dbraw/zinc/60/82/04/486608204.db2.gz VYCREYHXNVQKAV-INIZCTEOSA-N 2 2 325.416 1.878 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000670082530 486608208 /nfs/dbraw/zinc/60/82/08/486608208.db2.gz VYCREYHXNVQKAV-INIZCTEOSA-N 2 2 325.416 1.878 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2ccc(CO)cc2)CC1 ZINC000305765823 491245709 /nfs/dbraw/zinc/24/57/09/491245709.db2.gz FDSYYPQWGTVOTN-UHFFFAOYSA-N 2 2 348.491 1.047 20 0 EDADLP C[C@@]1(c2ccc(C[NH2+]Cc3cccc4[nH+]ccn43)cc2)NC(=O)NC1=O ZINC000354273153 491000802 /nfs/dbraw/zinc/00/08/02/491000802.db2.gz RSFBVAWKPSVWDB-IBGZPJMESA-N 2 2 349.394 1.679 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)S1 ZINC000174413004 534003960 /nfs/dbraw/zinc/00/39/60/534003960.db2.gz DEXSVVYVBXEADZ-GOEBONIOSA-N 2 2 346.500 1.925 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3OCC[NH+](C)[C@@H]3C2)[C@H]1c1ccccc1 ZINC000340142869 536455604 /nfs/dbraw/zinc/45/56/04/536455604.db2.gz AJUKCEJMYVHILX-BRSBDYLESA-N 2 2 344.459 1.156 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3OCC[NH+](C)[C@@H]3C2)[C@H]1c1ccccc1 ZINC000340142869 536455606 /nfs/dbraw/zinc/45/56/06/536455606.db2.gz AJUKCEJMYVHILX-BRSBDYLESA-N 2 2 344.459 1.156 20 0 EDADLP C[NH+]1CC[C@@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)[C@H]1c1ccccc1 ZINC000340142869 536455607 /nfs/dbraw/zinc/45/56/07/536455607.db2.gz AJUKCEJMYVHILX-BRSBDYLESA-N 2 2 344.459 1.156 20 0 EDADLP C[NH+]1CC[C@@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)[C@H]1c1ccccc1 ZINC000340142869 536455609 /nfs/dbraw/zinc/45/56/09/536455609.db2.gz AJUKCEJMYVHILX-BRSBDYLESA-N 2 2 344.459 1.156 20 0 EDADLP CC[NH+](CC)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000129488969 528087185 /nfs/dbraw/zinc/08/71/85/528087185.db2.gz KCUQHIIGKGGVAS-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+](CC)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000129488969 528087186 /nfs/dbraw/zinc/08/71/86/528087186.db2.gz KCUQHIIGKGGVAS-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CCN(CC)c1ccc(CNS(=O)(=O)CC[NH+](CC)CC)c[nH+]1 ZINC000340047627 535564963 /nfs/dbraw/zinc/56/49/63/535564963.db2.gz QWYPIHPNRGTFDR-UHFFFAOYSA-N 2 2 342.509 1.689 20 0 EDADLP CCN1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332359428 535611481 /nfs/dbraw/zinc/61/14/81/535611481.db2.gz SBGSZGGPNXUOPW-MRXNPFEDSA-N 2 2 333.480 1.735 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1O ZINC000270887939 535844006 /nfs/dbraw/zinc/84/40/06/535844006.db2.gz KYFLVPOIQKUZTP-MJGOQNOKSA-N 2 2 345.487 1.342 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1O ZINC000270887939 535844011 /nfs/dbraw/zinc/84/40/11/535844011.db2.gz KYFLVPOIQKUZTP-MJGOQNOKSA-N 2 2 345.487 1.342 20 0 EDADLP CN(C(=O)C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1)C1CCCCC1 ZINC000262016497 535988742 /nfs/dbraw/zinc/98/87/42/535988742.db2.gz MTHBPTUNZPVPRT-IBGZPJMESA-N 2 2 336.524 1.395 20 0 EDADLP CN(C(=O)CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1)C1CCCCC1 ZINC000262016497 535988746 /nfs/dbraw/zinc/98/87/46/535988746.db2.gz MTHBPTUNZPVPRT-IBGZPJMESA-N 2 2 336.524 1.395 20 0 EDADLP CC[C@@]1(C)CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000075998662 536037013 /nfs/dbraw/zinc/03/70/13/536037013.db2.gz XRHOQEVLKARAFT-SFHVURJKSA-N 2 2 325.497 1.726 20 0 EDADLP CC[C@@]1(C)CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000075998662 536037020 /nfs/dbraw/zinc/03/70/20/536037020.db2.gz XRHOQEVLKARAFT-SFHVURJKSA-N 2 2 325.497 1.726 20 0 EDADLP Cn1nccc1N1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1=O ZINC000352705705 536059513 /nfs/dbraw/zinc/05/95/13/536059513.db2.gz MYLXAKJDFFELDK-ZDUSSCGKSA-N 2 2 348.476 1.223 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000124383103 536339644 /nfs/dbraw/zinc/33/96/44/536339644.db2.gz QQDAZWAYLNJEJQ-CYBMUJFWSA-N 2 2 334.291 1.855 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000332524883 536358579 /nfs/dbraw/zinc/35/85/79/536358579.db2.gz RIQSUOQMLBBLIO-CQSZACIVSA-N 2 2 333.436 1.442 20 0 EDADLP C[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000270211728 536360503 /nfs/dbraw/zinc/36/05/03/536360503.db2.gz JPGYVMSVMFXELA-QGZVFWFLSA-N 2 2 333.501 1.941 20 0 EDADLP C[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000270211728 536360506 /nfs/dbraw/zinc/36/05/06/536360506.db2.gz JPGYVMSVMFXELA-QGZVFWFLSA-N 2 2 333.501 1.941 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)CC3CC[NH2+]CC3)c2)CC1 ZINC000237219213 536416866 /nfs/dbraw/zinc/41/68/66/536416866.db2.gz WSGBFFYVHASFRN-UHFFFAOYSA-N 2 2 330.476 1.762 20 0 EDADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000743847102 579492147 /nfs/dbraw/zinc/49/21/47/579492147.db2.gz YAJQSEDWLLBOMU-QUCCMNQESA-N 2 2 347.503 1.448 20 0 EDADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000743847102 579492148 /nfs/dbraw/zinc/49/21/48/579492148.db2.gz YAJQSEDWLLBOMU-QUCCMNQESA-N 2 2 347.503 1.448 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(C(=O)NCC[NH+]2CCO[C@H](C)C2)CC1 ZINC000726259497 578340379 /nfs/dbraw/zinc/34/03/79/578340379.db2.gz VKZUHDFOULLLOT-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[NH+]2CCO[C@H](C)C2)CC1 ZINC000726259497 578340380 /nfs/dbraw/zinc/34/03/80/578340380.db2.gz VKZUHDFOULLLOT-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[NH+](C)CC1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000726259497 578340382 /nfs/dbraw/zinc/34/03/82/578340382.db2.gz VKZUHDFOULLLOT-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[NH+](C)CC1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000726259497 578340384 /nfs/dbraw/zinc/34/03/84/578340384.db2.gz VKZUHDFOULLLOT-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000726801846 578362361 /nfs/dbraw/zinc/36/23/61/578362361.db2.gz NLXMXQYBKNKGTI-KRWDZBQOSA-N 2 2 342.443 1.636 20 0 EDADLP COC(=O)c1nn(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1Cl ZINC000738077383 578526373 /nfs/dbraw/zinc/52/63/73/578526373.db2.gz UGCDLAORPDFYJP-UHFFFAOYSA-N 2 2 328.844 1.863 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729265469 578562693 /nfs/dbraw/zinc/56/26/93/578562693.db2.gz KJDUDICVCASFQO-VXGBXAGGSA-N 2 2 347.444 1.708 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729265469 578562694 /nfs/dbraw/zinc/56/26/94/578562694.db2.gz KJDUDICVCASFQO-VXGBXAGGSA-N 2 2 347.444 1.708 20 0 EDADLP NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729265907 578562869 /nfs/dbraw/zinc/56/28/69/578562869.db2.gz TWOCMRSKONJOGP-ZDUSSCGKSA-N 2 2 327.388 1.258 20 0 EDADLP NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729265907 578562870 /nfs/dbraw/zinc/56/28/70/578562870.db2.gz TWOCMRSKONJOGP-ZDUSSCGKSA-N 2 2 327.388 1.258 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000729433015 578575017 /nfs/dbraw/zinc/57/50/17/578575017.db2.gz QNTQOGKQADUHGH-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729683568 578587294 /nfs/dbraw/zinc/58/72/94/578587294.db2.gz OFAWGPFEGDTFPN-CVEARBPZSA-N 2 2 339.461 1.011 20 0 EDADLP CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729683568 578587295 /nfs/dbraw/zinc/58/72/95/578587295.db2.gz OFAWGPFEGDTFPN-CVEARBPZSA-N 2 2 339.461 1.011 20 0 EDADLP Fc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000737652280 578632653 /nfs/dbraw/zinc/63/26/53/578632653.db2.gz WMDQIHXHBMCZFN-CYBMUJFWSA-N 2 2 330.411 1.924 20 0 EDADLP Fc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000737652280 578632655 /nfs/dbraw/zinc/63/26/55/578632655.db2.gz WMDQIHXHBMCZFN-CYBMUJFWSA-N 2 2 330.411 1.924 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000732569325 578718791 /nfs/dbraw/zinc/71/87/91/578718791.db2.gz KKETZGWRZJQBSK-CQSZACIVSA-N 2 2 333.480 1.488 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000761071584 580046348 /nfs/dbraw/zinc/04/63/48/580046348.db2.gz QCOVUXMHBKSNLY-MSOLQXFVSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000761071584 580046349 /nfs/dbraw/zinc/04/63/49/580046349.db2.gz QCOVUXMHBKSNLY-MSOLQXFVSA-N 2 2 344.503 1.528 20 0 EDADLP O=C(C[NH+]1CCC(Nc2cccc[nH+]2)CC1)NCc1ccccn1 ZINC000761118744 580048768 /nfs/dbraw/zinc/04/87/68/580048768.db2.gz NQNBUZCGENRYIU-UHFFFAOYSA-N 2 2 325.416 1.669 20 0 EDADLP O=C1[C@@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)CCN1C1CCOCC1 ZINC000761117683 580048836 /nfs/dbraw/zinc/04/88/36/580048836.db2.gz LHQAOILBLREBOR-KRWDZBQOSA-N 2 2 344.459 1.738 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000739008570 579193930 /nfs/dbraw/zinc/19/39/30/579193930.db2.gz JARMWJBDIIUHCY-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000739008570 579193931 /nfs/dbraw/zinc/19/39/31/579193931.db2.gz JARMWJBDIIUHCY-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000746318756 579587025 /nfs/dbraw/zinc/58/70/25/579587025.db2.gz RQHTXBKNXVMTGP-IAGOWNOFSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000746318756 579587026 /nfs/dbraw/zinc/58/70/26/579587026.db2.gz RQHTXBKNXVMTGP-IAGOWNOFSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000746318756 579587027 /nfs/dbraw/zinc/58/70/27/579587027.db2.gz RQHTXBKNXVMTGP-IAGOWNOFSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000746318756 579587028 /nfs/dbraw/zinc/58/70/28/579587028.db2.gz RQHTXBKNXVMTGP-IAGOWNOFSA-N 2 2 340.512 1.374 20 0 EDADLP CCC[NH+]1CCC([NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)CC1 ZINC000777573321 580445411 /nfs/dbraw/zinc/44/54/11/580445411.db2.gz VAZAFYBTOYRBFI-CQSZACIVSA-N 2 2 334.386 1.634 20 0 EDADLP O=C1N(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC12CCOCC2 ZINC000777536302 580443819 /nfs/dbraw/zinc/44/38/19/580443819.db2.gz BORYGFXWRRJFSR-KRWDZBQOSA-N 2 2 335.492 1.923 20 0 EDADLP O=C1N(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCC12CCOCC2 ZINC000777536302 580443820 /nfs/dbraw/zinc/44/38/20/580443820.db2.gz BORYGFXWRRJFSR-KRWDZBQOSA-N 2 2 335.492 1.923 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N(C)CC[NH+](C)C)c1[nH+]ccn1C ZINC000747580089 579649740 /nfs/dbraw/zinc/64/97/40/579649740.db2.gz GPMVEWDADNYVHO-INIZCTEOSA-N 2 2 345.447 1.721 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000748452917 579686721 /nfs/dbraw/zinc/68/67/21/579686721.db2.gz JTYFTRDETBBXBG-CHWSQXEVSA-N 2 2 336.465 1.090 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000750828999 579782928 /nfs/dbraw/zinc/78/29/28/579782928.db2.gz KQDMXHWNPIRSBG-OAHLLOKOSA-N 2 2 348.516 1.814 20 0 EDADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000750853721 579784038 /nfs/dbraw/zinc/78/40/38/579784038.db2.gz HAZMPCACKXJSKX-AWEZNQCLSA-N 2 2 337.489 1.333 20 0 EDADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000750853721 579784040 /nfs/dbraw/zinc/78/40/40/579784040.db2.gz HAZMPCACKXJSKX-AWEZNQCLSA-N 2 2 337.489 1.333 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CSCCS1 ZINC000751019153 579791729 /nfs/dbraw/zinc/79/17/29/579791729.db2.gz QVKQTKVADJTFDV-AWEZNQCLSA-N 2 2 331.551 1.319 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CSCCS1 ZINC000751019153 579791730 /nfs/dbraw/zinc/79/17/30/579791730.db2.gz QVKQTKVADJTFDV-AWEZNQCLSA-N 2 2 331.551 1.319 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000753721925 579885808 /nfs/dbraw/zinc/88/58/08/579885808.db2.gz SDSDKEBUBYOKKL-UHFFFAOYSA-N 2 2 334.464 1.471 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000755123241 579920746 /nfs/dbraw/zinc/92/07/46/579920746.db2.gz BRRNCBUJDVHMBT-CYBMUJFWSA-N 2 2 339.509 1.559 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000755788801 579935204 /nfs/dbraw/zinc/93/52/04/579935204.db2.gz IMSPUDOHIRFSOM-ZDUSSCGKSA-N 2 2 331.420 1.422 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000755788801 579935205 /nfs/dbraw/zinc/93/52/05/579935205.db2.gz IMSPUDOHIRFSOM-ZDUSSCGKSA-N 2 2 331.420 1.422 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)CN(c3ccccc3)C2=O)C1 ZINC000755791091 579935213 /nfs/dbraw/zinc/93/52/13/579935213.db2.gz QSEIJJJRWLAGGK-CQSZACIVSA-N 2 2 339.399 1.636 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)CN(c3ccccc3)C2=O)C1 ZINC000755791091 579935214 /nfs/dbraw/zinc/93/52/14/579935214.db2.gz QSEIJJJRWLAGGK-CQSZACIVSA-N 2 2 339.399 1.636 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000765827635 580152101 /nfs/dbraw/zinc/15/21/01/580152101.db2.gz JRUXKZASFKFWLS-HNNXBMFYSA-N 2 2 337.489 1.676 20 0 EDADLP CC(C)[N@H+](C)CC1CC[NH+](Cn2nc(CO)n(C)c2=S)CC1 ZINC000769835277 580246681 /nfs/dbraw/zinc/24/66/81/580246681.db2.gz VJJGNARGGPLCKZ-UHFFFAOYSA-N 2 2 327.498 1.453 20 0 EDADLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2nc(CO)n(C)c2=S)CC1 ZINC000769835277 580246682 /nfs/dbraw/zinc/24/66/82/580246682.db2.gz VJJGNARGGPLCKZ-UHFFFAOYSA-N 2 2 327.498 1.453 20 0 EDADLP CN1CC[NH+](CCC(C)(C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000771664335 580292051 /nfs/dbraw/zinc/29/20/51/580292051.db2.gz XDZGAZNIBPLIRA-UHFFFAOYSA-N 2 2 329.448 1.480 20 0 EDADLP CC(C)(C)c1nnc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)o1 ZINC000779603462 580491028 /nfs/dbraw/zinc/49/10/28/580491028.db2.gz BKHQPBOTSJHIHE-UHFFFAOYSA-N 2 2 338.452 1.026 20 0 EDADLP C[C@@H](O)c1cn(C2C[NH+](Cc3ccc(OCC[NH+](C)C)cc3)C2)nn1 ZINC000779614993 580491471 /nfs/dbraw/zinc/49/14/71/580491471.db2.gz YEYBYXYMADXJDS-CQSZACIVSA-N 2 2 345.447 1.329 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=S)NCC[NH+]1CCOCC1 ZINC000782211936 580569141 /nfs/dbraw/zinc/56/91/41/580569141.db2.gz MSSAIUFSYNWFPV-UHFFFAOYSA-N 2 2 336.505 1.409 20 0 EDADLP CCOCOc1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000782958325 580589117 /nfs/dbraw/zinc/58/91/17/580589117.db2.gz DUIVMOOXYOZLAZ-UHFFFAOYSA-N 2 2 349.475 1.702 20 0 EDADLP Cn1nc(Br)cc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000785434662 580644423 /nfs/dbraw/zinc/64/44/23/580644423.db2.gz IIANGNSRYJDORC-UHFFFAOYSA-N 2 2 331.258 1.119 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786829429 580680576 /nfs/dbraw/zinc/68/05/76/580680576.db2.gz RAXLSKNCMVWIQY-YJBOKZPZSA-N 2 2 346.475 1.978 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786829429 580680577 /nfs/dbraw/zinc/68/05/77/580680577.db2.gz RAXLSKNCMVWIQY-YJBOKZPZSA-N 2 2 346.475 1.978 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[NH+]1CCCCC1 ZINC000793701352 580852385 /nfs/dbraw/zinc/85/23/85/580852385.db2.gz PQIGDOGJSSLIFT-LSDHHAIUSA-N 2 2 347.463 1.106 20 0 EDADLP CCOc1cccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000797873979 580982817 /nfs/dbraw/zinc/98/28/17/580982817.db2.gz AYSZGPAVWAJTSK-MRXNPFEDSA-N 2 2 346.475 1.308 20 0 EDADLP CCOc1cccc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000797873979 580982818 /nfs/dbraw/zinc/98/28/18/580982818.db2.gz AYSZGPAVWAJTSK-MRXNPFEDSA-N 2 2 346.475 1.308 20 0 EDADLP [NH3+][C@@H](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000891819764 590637626 /nfs/dbraw/zinc/63/76/26/590637626.db2.gz SINGWROMKRDSDY-HOTGVXAUSA-N 2 2 327.432 1.457 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]([NH3+])C3CC3)C2)cc1 ZINC000892049391 590771287 /nfs/dbraw/zinc/77/12/87/590771287.db2.gz SXUCVOBZFJIHQC-ROUUACIJSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]([NH3+])C3CC3)C2)cc1 ZINC000892049391 590771292 /nfs/dbraw/zinc/77/12/92/590771292.db2.gz SXUCVOBZFJIHQC-ROUUACIJSA-N 2 2 346.475 1.232 20 0 EDADLP COC(=O)COc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000892114412 590806361 /nfs/dbraw/zinc/80/63/61/590806361.db2.gz FOCUYNJOTUVUJJ-MRXNPFEDSA-N 2 2 348.443 1.393 20 0 EDADLP COC(=O)COc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000892114412 590806365 /nfs/dbraw/zinc/80/63/65/590806365.db2.gz FOCUYNJOTUVUJJ-MRXNPFEDSA-N 2 2 348.443 1.393 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC000890996210 590901487 /nfs/dbraw/zinc/90/14/87/590901487.db2.gz AXCGIRWEGCAIJF-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC000890996210 590901489 /nfs/dbraw/zinc/90/14/89/590901489.db2.gz AXCGIRWEGCAIJF-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2cccc(C[NH+](C)C)c2)C[N@@H+]1C ZINC000893569608 590970289 /nfs/dbraw/zinc/97/02/89/590970289.db2.gz CVXKQMKFTLPMDY-CRAIPNDOSA-N 2 2 334.416 1.541 20 0 EDADLP COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1C ZINC000893569608 590970291 /nfs/dbraw/zinc/97/02/91/590970291.db2.gz CVXKQMKFTLPMDY-CRAIPNDOSA-N 2 2 334.416 1.541 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892393382 591008646 /nfs/dbraw/zinc/00/86/46/591008646.db2.gz GKEJIHSNYUHIRO-HNNXBMFYSA-N 2 2 348.495 1.026 20 0 EDADLP CC1(C)CC[C@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)[NH2+]C1 ZINC000892394838 591009076 /nfs/dbraw/zinc/00/90/76/591009076.db2.gz YEAKMJZBAMKEQR-QGZVFWFLSA-N 2 2 345.491 1.687 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000892479839 591041936 /nfs/dbraw/zinc/04/19/36/591041936.db2.gz QHTACGVKVHGYQF-UHFFFAOYSA-N 2 2 331.420 1.360 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891349080 591054565 /nfs/dbraw/zinc/05/45/65/591054565.db2.gz UXDYUWNUJSHHCC-KRWDZBQOSA-N 2 2 341.459 1.907 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)c1 ZINC000892546687 591068063 /nfs/dbraw/zinc/06/80/63/591068063.db2.gz JKUPZMVAFFENDR-FGTMMUONSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)c1 ZINC000892546687 591068066 /nfs/dbraw/zinc/06/80/66/591068066.db2.gz JKUPZMVAFFENDR-FGTMMUONSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000892612217 591096486 /nfs/dbraw/zinc/09/64/86/591096486.db2.gz TWUNHVXSPIFCCE-WMZOPIPTSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000892612217 591096491 /nfs/dbraw/zinc/09/64/91/591096491.db2.gz TWUNHVXSPIFCCE-WMZOPIPTSA-N 2 2 346.475 1.199 20 0 EDADLP CC(C)C[C@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892668104 591119925 /nfs/dbraw/zinc/11/99/25/591119925.db2.gz BUVWPXOHTYXJJP-MRXNPFEDSA-N 2 2 343.512 1.972 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)[nH+]c12 ZINC000891627405 591156807 /nfs/dbraw/zinc/15/68/07/591156807.db2.gz IYHXEATZARRHSB-MAUKXSAKSA-N 2 2 327.432 1.769 20 0 EDADLP Cc1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cnc1F ZINC000892749477 591158390 /nfs/dbraw/zinc/15/83/90/591158390.db2.gz BIFFSNKCNCGPSQ-UHFFFAOYSA-N 2 2 329.423 1.966 20 0 EDADLP COc1nccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1F ZINC000892792490 591177196 /nfs/dbraw/zinc/17/71/96/591177196.db2.gz GZCJYJALZOTODP-CQSZACIVSA-N 2 2 338.427 1.262 20 0 EDADLP COc1nccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1F ZINC000892792490 591177198 /nfs/dbraw/zinc/17/71/98/591177198.db2.gz GZCJYJALZOTODP-CQSZACIVSA-N 2 2 338.427 1.262 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000894084356 591184009 /nfs/dbraw/zinc/18/40/09/591184009.db2.gz NOLGRIFUGBWFMY-GOSISDBHSA-N 2 2 342.487 1.783 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000894084356 591184013 /nfs/dbraw/zinc/18/40/13/591184013.db2.gz NOLGRIFUGBWFMY-GOSISDBHSA-N 2 2 342.487 1.783 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[NH2+]CCC12CCC2 ZINC000891708131 591194236 /nfs/dbraw/zinc/19/42/36/591194236.db2.gz GNTYFAMDRAQJFA-HNNXBMFYSA-N 2 2 329.448 1.588 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000891707692 591194540 /nfs/dbraw/zinc/19/45/40/591194540.db2.gz FUFBQYHIGSRXAL-QWHCGFSZSA-N 2 2 339.390 1.204 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000891741140 591206335 /nfs/dbraw/zinc/20/63/35/591206335.db2.gz LBPXQAHTGDVTDG-OAHLLOKOSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000891741140 591206337 /nfs/dbraw/zinc/20/63/37/591206337.db2.gz LBPXQAHTGDVTDG-OAHLLOKOSA-N 2 2 331.464 1.823 20 0 EDADLP COC(=O)c1cnc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000894167349 591214948 /nfs/dbraw/zinc/21/49/48/591214948.db2.gz KZXUFBVGDRCRNJ-ZDUSSCGKSA-N 2 2 340.493 1.291 20 0 EDADLP Cc1nc(Br)ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000841171998 591244376 /nfs/dbraw/zinc/24/43/76/591244376.db2.gz CDRRTGYWPWGKNZ-SNVBAGLBSA-N 2 2 342.241 1.259 20 0 EDADLP Cc1nc(Br)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000841171998 591244379 /nfs/dbraw/zinc/24/43/79/591244379.db2.gz CDRRTGYWPWGKNZ-SNVBAGLBSA-N 2 2 342.241 1.259 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000892984503 591246522 /nfs/dbraw/zinc/24/65/22/591246522.db2.gz WJDOYTXEJITDPH-CVEARBPZSA-N 2 2 333.480 1.828 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH+]cn1 ZINC000892984503 591246523 /nfs/dbraw/zinc/24/65/23/591246523.db2.gz WJDOYTXEJITDPH-CVEARBPZSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@@H]1CSCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021718 591257799 /nfs/dbraw/zinc/25/77/99/591257799.db2.gz GRNRPCPDPCFJLQ-HUUCEWRRSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@@H]1CSCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021718 591257802 /nfs/dbraw/zinc/25/78/02/591257802.db2.gz GRNRPCPDPCFJLQ-HUUCEWRRSA-N 2 2 340.537 1.692 20 0 EDADLP COC(=O)[C@H]1[C@H](C[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(F)F ZINC000894273934 591260923 /nfs/dbraw/zinc/26/09/23/591260923.db2.gz UCUFNJBCXSPNMS-QWHCGFSZSA-N 2 2 334.407 1.520 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000895740637 591262159 /nfs/dbraw/zinc/26/21/59/591262159.db2.gz XUPVZRNSLUBFTK-YJBOKZPZSA-N 2 2 349.475 1.571 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1(F)F ZINC000894288586 591267322 /nfs/dbraw/zinc/26/73/22/591267322.db2.gz VRXSFKQONSFMQK-HUUCEWRRSA-N 2 2 338.398 1.730 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc[nH+]1 ZINC000894436309 591312298 /nfs/dbraw/zinc/31/22/98/591312298.db2.gz SCMNZDQLSPURKM-CVEARBPZSA-N 2 2 349.479 1.351 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)[nH+]cn1 ZINC000894436309 591312299 /nfs/dbraw/zinc/31/22/99/591312299.db2.gz SCMNZDQLSPURKM-CVEARBPZSA-N 2 2 349.479 1.351 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC000895987373 591319007 /nfs/dbraw/zinc/31/90/07/591319007.db2.gz DVQVXRMYKWGCPG-GJZGRUSLSA-N 2 2 346.479 1.666 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC000895987373 591319009 /nfs/dbraw/zinc/31/90/09/591319009.db2.gz DVQVXRMYKWGCPG-GJZGRUSLSA-N 2 2 346.479 1.666 20 0 EDADLP CCO[C@H](CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)C[NH+](C)C ZINC000896117453 591349873 /nfs/dbraw/zinc/34/98/73/591349873.db2.gz UQJJYUFGYOADDN-HUUCEWRRSA-N 2 2 337.468 1.206 20 0 EDADLP C[C@@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+]Cc3c[nH+]c[nH]3)cc2)C1=O ZINC000894687257 591387708 /nfs/dbraw/zinc/38/77/08/591387708.db2.gz LTHLOQVYUMXAPR-SFHVURJKSA-N 2 2 339.399 1.924 20 0 EDADLP C[C@@H](C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)[NH+](C)C ZINC000894742447 591405940 /nfs/dbraw/zinc/40/59/40/591405940.db2.gz FHCPDIAGQAGUPE-ZNMIVQPWSA-N 2 2 341.496 1.989 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000897428940 591409643 /nfs/dbraw/zinc/40/96/43/591409643.db2.gz WFMHIFZOZHJKSM-INIZCTEOSA-N 2 2 331.464 1.251 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000897428940 591409645 /nfs/dbraw/zinc/40/96/45/591409645.db2.gz WFMHIFZOZHJKSM-INIZCTEOSA-N 2 2 331.464 1.251 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCO[C@H]2CCCCO2)CC1 ZINC000894799957 591420387 /nfs/dbraw/zinc/42/03/87/591420387.db2.gz QOPFRUKRRBRVTQ-KRWDZBQOSA-N 2 2 328.453 1.537 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC([NH+]4CCCC4)C3)CC2)[nH+]c1 ZINC000898608885 591436871 /nfs/dbraw/zinc/43/68/71/591436871.db2.gz KDUACOQXPTZCOT-UHFFFAOYSA-N 2 2 328.460 1.913 20 0 EDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3COCO3)c[nH+]c12 ZINC000894876075 591453330 /nfs/dbraw/zinc/45/33/30/591453330.db2.gz MWFHKFSQTQNQFV-GFCCVEGCSA-N 2 2 326.194 1.868 20 0 EDADLP FCCn1cc(C[NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)cn1 ZINC000898717272 591483152 /nfs/dbraw/zinc/48/31/52/591483152.db2.gz KUAHVXHCDOACOJ-NSHDSACASA-N 2 2 342.216 1.916 20 0 EDADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896541825 591506539 /nfs/dbraw/zinc/50/65/39/591506539.db2.gz IKJCPRMDEARLIY-YJBOKZPZSA-N 2 2 341.459 1.296 20 0 EDADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896541825 591506542 /nfs/dbraw/zinc/50/65/42/591506542.db2.gz IKJCPRMDEARLIY-YJBOKZPZSA-N 2 2 341.459 1.296 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000896595256 591546082 /nfs/dbraw/zinc/54/60/82/591546082.db2.gz PJRZKPJTDZRPGS-GFCCVEGCSA-N 2 2 325.482 1.488 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000896595256 591546084 /nfs/dbraw/zinc/54/60/84/591546084.db2.gz PJRZKPJTDZRPGS-GFCCVEGCSA-N 2 2 325.482 1.488 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000896617047 591553407 /nfs/dbraw/zinc/55/34/07/591553407.db2.gz HUFDPJQVSXFCIM-IMJJTQAJSA-N 2 2 329.448 1.668 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CC[N@H+]1C ZINC000896617047 591553410 /nfs/dbraw/zinc/55/34/10/591553410.db2.gz HUFDPJQVSXFCIM-IMJJTQAJSA-N 2 2 329.448 1.668 20 0 EDADLP C[C@@]1(C[NH+]2CCN(c3nc(N)[nH+]c(C4CC4)n3)CC2)CCCS1 ZINC000897573621 591562104 /nfs/dbraw/zinc/56/21/04/591562104.db2.gz LPBMOFXQUMKGMT-INIZCTEOSA-N 2 2 334.493 1.739 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000895117018 591596869 /nfs/dbraw/zinc/59/68/69/591596869.db2.gz ZGBHXZCYISXEDP-HPBDAGMYSA-N 2 2 336.501 1.745 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000895117018 591596871 /nfs/dbraw/zinc/59/68/71/591596871.db2.gz ZGBHXZCYISXEDP-HPBDAGMYSA-N 2 2 336.501 1.745 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000896781621 591610670 /nfs/dbraw/zinc/61/06/70/591610670.db2.gz RNRCWAMQGQUVLL-OAHLLOKOSA-N 2 2 332.448 1.998 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000896781621 591610672 /nfs/dbraw/zinc/61/06/72/591610672.db2.gz RNRCWAMQGQUVLL-OAHLLOKOSA-N 2 2 332.448 1.998 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H](c1ccncc1)C1CC1 ZINC000899002723 591631498 /nfs/dbraw/zinc/63/14/98/591631498.db2.gz UILCMVOTNZCYOD-QGZVFWFLSA-N 2 2 333.480 1.715 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H](c1ccncc1)C1CC1 ZINC000899002723 591631501 /nfs/dbraw/zinc/63/15/01/591631501.db2.gz UILCMVOTNZCYOD-QGZVFWFLSA-N 2 2 333.480 1.715 20 0 EDADLP NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000897062046 591729674 /nfs/dbraw/zinc/72/96/74/591729674.db2.gz OGAYFWSHOYGEPQ-LLVKDONJSA-N 2 2 326.447 1.044 20 0 EDADLP NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000897062046 591729679 /nfs/dbraw/zinc/72/96/79/591729679.db2.gz OGAYFWSHOYGEPQ-LLVKDONJSA-N 2 2 326.447 1.044 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000899241286 591742369 /nfs/dbraw/zinc/74/23/69/591742369.db2.gz CBVLOTNUAOOJFO-INIZCTEOSA-N 2 2 338.496 1.130 20 0 EDADLP c1cc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc2nonc12 ZINC000897990742 591752636 /nfs/dbraw/zinc/75/26/36/591752636.db2.gz CLFIICAUZOYUJP-UHFFFAOYSA-N 2 2 345.447 1.109 20 0 EDADLP c1cc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc2nonc12 ZINC000897990742 591752638 /nfs/dbraw/zinc/75/26/38/591752638.db2.gz CLFIICAUZOYUJP-UHFFFAOYSA-N 2 2 345.447 1.109 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCNc2ccc(C)cn2)CC1 ZINC000897182046 591759613 /nfs/dbraw/zinc/75/96/13/591759613.db2.gz SAFBSIOANFZTAH-UHFFFAOYSA-N 2 2 334.464 1.809 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000895457257 591764039 /nfs/dbraw/zinc/76/40/39/591764039.db2.gz YDFZUBDRWUXHNG-QGZVFWFLSA-N 2 2 332.444 1.813 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000895457257 591764040 /nfs/dbraw/zinc/76/40/40/591764040.db2.gz YDFZUBDRWUXHNG-QGZVFWFLSA-N 2 2 332.444 1.813 20 0 EDADLP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000895459843 591765051 /nfs/dbraw/zinc/76/50/51/591765051.db2.gz XHXGFEGBEHDXKU-PBHICJAKSA-N 2 2 327.469 1.743 20 0 EDADLP c1nc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc(N2CCOCC2)[nH+]1 ZINC000895571642 591804490 /nfs/dbraw/zinc/80/44/90/591804490.db2.gz KMNXCMPJNJWGKK-KGLIPLIRSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc(N2CCOCC2)[nH+]1 ZINC000895571642 591804493 /nfs/dbraw/zinc/80/44/93/591804493.db2.gz KMNXCMPJNJWGKK-KGLIPLIRSA-N 2 2 335.477 1.305 20 0 EDADLP O=C(NCc1ccccc1-c1[nH]cc[nH+]1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000909639644 591878764 /nfs/dbraw/zinc/87/87/64/591878764.db2.gz YWXPDPOQFOBNEJ-GOEBONIOSA-N 2 2 326.400 1.556 20 0 EDADLP O=C(NCc1ccccc1-c1[nH]cc[nH+]1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000909639644 591878770 /nfs/dbraw/zinc/87/87/70/591878770.db2.gz YWXPDPOQFOBNEJ-GOEBONIOSA-N 2 2 326.400 1.556 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900050986 591883639 /nfs/dbraw/zinc/88/36/39/591883639.db2.gz KMLBQWQRUOXZQU-IRXDYDNUSA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900050986 591883643 /nfs/dbraw/zinc/88/36/43/591883643.db2.gz KMLBQWQRUOXZQU-IRXDYDNUSA-N 2 2 344.459 1.551 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000900065597 591892370 /nfs/dbraw/zinc/89/23/70/591892370.db2.gz MNVCDRCBZVNENJ-SFHVURJKSA-N 2 2 341.459 1.574 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000900065597 591892376 /nfs/dbraw/zinc/89/23/76/591892376.db2.gz MNVCDRCBZVNENJ-SFHVURJKSA-N 2 2 341.459 1.574 20 0 EDADLP O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)c1Cl ZINC000898371985 591897264 /nfs/dbraw/zinc/89/72/64/591897264.db2.gz LIBVCPHMVVNDFA-SNVBAGLBSA-N 2 2 334.811 1.347 20 0 EDADLP C/C(=C\C(=O)NC[C@H](c1ccsc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900137018 591914233 /nfs/dbraw/zinc/91/42/33/591914233.db2.gz VLVAWALUXWPPAZ-HFQYIWAZSA-N 2 2 337.489 1.746 20 0 EDADLP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1=O ZINC000902169038 591937378 /nfs/dbraw/zinc/93/73/78/591937378.db2.gz BWOOGNUMAHHLQZ-AWEZNQCLSA-N 2 2 335.448 1.040 20 0 EDADLP COc1c[nH]c(CO)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1=O ZINC000902169038 591937382 /nfs/dbraw/zinc/93/73/82/591937382.db2.gz BWOOGNUMAHHLQZ-AWEZNQCLSA-N 2 2 335.448 1.040 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1=O ZINC000902169038 591937384 /nfs/dbraw/zinc/93/73/84/591937384.db2.gz BWOOGNUMAHHLQZ-AWEZNQCLSA-N 2 2 335.448 1.040 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1=O ZINC000902169038 591937386 /nfs/dbraw/zinc/93/73/86/591937386.db2.gz BWOOGNUMAHHLQZ-AWEZNQCLSA-N 2 2 335.448 1.040 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000899809571 591946508 /nfs/dbraw/zinc/94/65/08/591946508.db2.gz NCKPXNJFZIIENM-UONOGXRCSA-N 2 2 325.416 1.647 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000899809571 591946510 /nfs/dbraw/zinc/94/65/10/591946510.db2.gz NCKPXNJFZIIENM-UONOGXRCSA-N 2 2 325.416 1.647 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c[nH+]1 ZINC000900229115 591956437 /nfs/dbraw/zinc/95/64/37/591956437.db2.gz JLWYGFJXHIMIMR-GOSISDBHSA-N 2 2 334.464 1.391 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)CO[NH+]=C(N)Cc2cccs2)CC1 ZINC000902250632 591960662 /nfs/dbraw/zinc/96/06/62/591960662.db2.gz QLOKKHJKBHUHEI-UHFFFAOYSA-N 2 2 338.477 1.778 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+]2CCOCC2)cc1 ZINC000900288497 591973226 /nfs/dbraw/zinc/97/32/26/591973226.db2.gz ZAQFHKNDXUKCOW-GOSISDBHSA-N 2 2 343.471 1.580 20 0 EDADLP COCC[C@@H]1CCN(C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000902376390 591983731 /nfs/dbraw/zinc/98/37/31/591983731.db2.gz JTLNODGKAGYFOS-CVEARBPZSA-N 2 2 332.448 1.435 20 0 EDADLP COCC[C@@H]1CCN(C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000902376390 591983732 /nfs/dbraw/zinc/98/37/32/591983732.db2.gz JTLNODGKAGYFOS-CVEARBPZSA-N 2 2 332.448 1.435 20 0 EDADLP C/C(=C\C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)C[NH+]1CCOCC1 ZINC000900340876 591989662 /nfs/dbraw/zinc/98/96/62/591989662.db2.gz XAKFBMUVZFSLSK-RBFDBLARSA-N 2 2 334.464 1.693 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000902403897 591991298 /nfs/dbraw/zinc/99/12/98/591991298.db2.gz UMODTEUTGWFLHE-ROUUACIJSA-N 3 2 338.540 1.151 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[N@@H+]2CCC(C)(C)C2)CC[NH2+]CC1 ZINC000902454048 591998787 /nfs/dbraw/zinc/99/87/87/591998787.db2.gz FAJYLXDMPCLARF-OAHLLOKOSA-N 3 2 325.497 1.629 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[N@H+]2CCC(C)(C)C2)CC[NH2+]CC1 ZINC000902454048 591998789 /nfs/dbraw/zinc/99/87/89/591998789.db2.gz FAJYLXDMPCLARF-OAHLLOKOSA-N 3 2 325.497 1.629 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H]3CC[C@@H](C(F)(F)F)O3)nn2)CC1 ZINC000900582068 592058541 /nfs/dbraw/zinc/05/85/41/592058541.db2.gz GIRMTUDCARMJIV-KGLIPLIRSA-N 2 2 347.385 1.572 20 0 EDADLP O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000900605148 592067394 /nfs/dbraw/zinc/06/73/94/592067394.db2.gz VVKGTSHEAUMINX-GOSISDBHSA-N 2 2 339.443 1.915 20 0 EDADLP O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000900605148 592067397 /nfs/dbraw/zinc/06/73/97/592067397.db2.gz VVKGTSHEAUMINX-GOSISDBHSA-N 2 2 339.443 1.915 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)nc[nH+]1 ZINC000902862321 592077367 /nfs/dbraw/zinc/07/73/67/592077367.db2.gz YYKJWVWAKKXKJN-RJGGYNTPSA-N 2 2 343.475 1.890 20 0 EDADLP C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693542 592097107 /nfs/dbraw/zinc/09/71/07/592097107.db2.gz WKTVPJNTJSBJIJ-KSSFIOAISA-N 2 2 347.507 1.560 20 0 EDADLP C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693542 592097110 /nfs/dbraw/zinc/09/71/10/592097110.db2.gz WKTVPJNTJSBJIJ-KSSFIOAISA-N 2 2 347.507 1.560 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000900905160 592167399 /nfs/dbraw/zinc/16/73/99/592167399.db2.gz YTKSCCWSMJVHQG-UHFFFAOYSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000900905160 592167401 /nfs/dbraw/zinc/16/74/01/592167401.db2.gz YTKSCCWSMJVHQG-UHFFFAOYSA-N 2 2 328.416 1.225 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903469620 592175072 /nfs/dbraw/zinc/17/50/72/592175072.db2.gz WACJGXJSVAEATD-RDJZCZTQSA-N 2 2 331.460 1.753 20 0 EDADLP Cc1[nH]c(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)[nH+]c1C ZINC000900998536 592201184 /nfs/dbraw/zinc/20/11/84/592201184.db2.gz VHOBZUZGSCOSJI-UHFFFAOYSA-N 2 2 342.447 1.250 20 0 EDADLP Cc1cnc2c(cccc2S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000903566412 592212574 /nfs/dbraw/zinc/21/25/74/592212574.db2.gz SILGJQFRJFHOCC-UHFFFAOYSA-N 2 2 348.472 1.245 20 0 EDADLP Cc1ccc2ncccc2c1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565877 592212611 /nfs/dbraw/zinc/21/26/11/592212611.db2.gz FRZXMFONCPIWSK-UHFFFAOYSA-N 2 2 348.472 1.245 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000903566263 592212897 /nfs/dbraw/zinc/21/28/97/592212897.db2.gz NRFDLUSNHOFMLZ-KPKJPENVSA-N 2 2 343.880 1.653 20 0 EDADLP CC1(C)C[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1[NH3+] ZINC000903551903 592215526 /nfs/dbraw/zinc/21/55/26/592215526.db2.gz CCLCACGEFSLWLQ-MRXNPFEDSA-N 2 2 344.459 1.811 20 0 EDADLP CC1(C)C[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1[NH3+] ZINC000903551903 592215527 /nfs/dbraw/zinc/21/55/27/592215527.db2.gz CCLCACGEFSLWLQ-MRXNPFEDSA-N 2 2 344.459 1.811 20 0 EDADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904335805 592233239 /nfs/dbraw/zinc/23/32/39/592233239.db2.gz CHQPNCTUVLTLGP-SQWLQELKSA-N 2 2 341.415 1.977 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000901118257 592239480 /nfs/dbraw/zinc/23/94/80/592239480.db2.gz MXYMUXSCIDRTSD-IRXDYDNUSA-N 2 2 346.475 1.929 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000906676566 592257045 /nfs/dbraw/zinc/25/70/45/592257045.db2.gz NBRBBOLMBMIBER-KGLIPLIRSA-N 2 2 338.452 1.355 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000906676566 592257049 /nfs/dbraw/zinc/25/70/49/592257049.db2.gz NBRBBOLMBMIBER-KGLIPLIRSA-N 2 2 338.452 1.355 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000901177252 592278497 /nfs/dbraw/zinc/27/84/97/592278497.db2.gz LVEODVDHVHIKSR-CQSZACIVSA-N 2 2 348.447 1.670 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)[nH+]c2N(C)C)C1 ZINC000901177252 592278498 /nfs/dbraw/zinc/27/84/98/592278498.db2.gz LVEODVDHVHIKSR-CQSZACIVSA-N 2 2 348.447 1.670 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)n2)cn1 ZINC000904589768 592288004 /nfs/dbraw/zinc/28/80/04/592288004.db2.gz NXWFLOSKUVZEJQ-MELADBBJSA-N 2 2 338.371 1.818 20 0 EDADLP CCOC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903751172 592295808 /nfs/dbraw/zinc/29/58/08/592295808.db2.gz CBHYYTZDMGFGGW-PKOBYXMFSA-N 2 2 332.444 1.820 20 0 EDADLP CCOC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903751172 592295811 /nfs/dbraw/zinc/29/58/11/592295811.db2.gz CBHYYTZDMGFGGW-PKOBYXMFSA-N 2 2 332.444 1.820 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816196 592324601 /nfs/dbraw/zinc/32/46/01/592324601.db2.gz UXZJMPSHWSBWQA-UHFFFAOYSA-N 2 2 345.487 1.798 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816196 592324605 /nfs/dbraw/zinc/32/46/05/592324605.db2.gz UXZJMPSHWSBWQA-UHFFFAOYSA-N 2 2 345.487 1.798 20 0 EDADLP COc1ccc(C[N@H+](CCCO)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000903831868 592336849 /nfs/dbraw/zinc/33/68/49/592336849.db2.gz MISFPXHJVFRNCH-UHFFFAOYSA-N 2 2 334.420 1.657 20 0 EDADLP COc1ccc(C[N@@H+](CCCO)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000903831868 592336855 /nfs/dbraw/zinc/33/68/55/592336855.db2.gz MISFPXHJVFRNCH-UHFFFAOYSA-N 2 2 334.420 1.657 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)C2 ZINC000903848982 592345059 /nfs/dbraw/zinc/34/50/59/592345059.db2.gz WABFBEFPPZRRGG-YDHLFZDLSA-N 2 2 331.416 1.598 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)C2 ZINC000903848982 592345066 /nfs/dbraw/zinc/34/50/66/592345066.db2.gz WABFBEFPPZRRGG-YDHLFZDLSA-N 2 2 331.416 1.598 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000903856954 592347636 /nfs/dbraw/zinc/34/76/36/592347636.db2.gz SWYNEJVCRHGCLG-DNVCBOLYSA-N 2 2 346.450 1.288 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000903856954 592347637 /nfs/dbraw/zinc/34/76/37/592347637.db2.gz SWYNEJVCRHGCLG-DNVCBOLYSA-N 2 2 346.450 1.288 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873660 592355177 /nfs/dbraw/zinc/35/51/77/592355177.db2.gz WFDQLUANBDAKQQ-FSDCSDTHSA-N 2 2 347.463 1.509 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903873660 592355179 /nfs/dbraw/zinc/35/51/79/592355179.db2.gz WFDQLUANBDAKQQ-FSDCSDTHSA-N 2 2 347.463 1.509 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(c3ccccc3F)CC2)cnn1C ZINC000903873612 592355221 /nfs/dbraw/zinc/35/52/21/592355221.db2.gz VHMVAGPTZALLRI-MRXNPFEDSA-N 2 2 345.466 1.807 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1(O)CCCC1 ZINC000905033094 592371784 /nfs/dbraw/zinc/37/17/84/592371784.db2.gz AUWWCOSHIKQTGI-IBGZPJMESA-N 2 2 347.503 1.454 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C[C@@H](O)c1ccccc1 ZINC000905037679 592374525 /nfs/dbraw/zinc/37/45/25/592374525.db2.gz LSBLSKZAKRTOGT-QZTJIDSGSA-N 2 2 338.411 1.842 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000903959104 592390537 /nfs/dbraw/zinc/39/05/37/592390537.db2.gz AKKJNIBVEMSVEM-LJQANCHMSA-N 3 2 344.507 1.194 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000903959104 592390543 /nfs/dbraw/zinc/39/05/43/592390543.db2.gz AKKJNIBVEMSVEM-LJQANCHMSA-N 3 2 344.507 1.194 20 0 EDADLP CNC(=O)Nc1cccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000906907429 592397835 /nfs/dbraw/zinc/39/78/35/592397835.db2.gz QQHKASPCXDJMRU-UHFFFAOYSA-N 2 2 347.463 1.194 20 0 EDADLP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCCn3cc[nH+]c3)C2)[C@H]1C(C)C ZINC000905136280 592430979 /nfs/dbraw/zinc/43/09/79/592430979.db2.gz HLMIVHRUSJLPSL-KONPQCLYSA-N 2 2 349.479 1.052 20 0 EDADLP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCCn3cc[nH+]c3)C2)[C@H]1C(C)C ZINC000905136280 592430985 /nfs/dbraw/zinc/43/09/85/592430985.db2.gz HLMIVHRUSJLPSL-KONPQCLYSA-N 2 2 349.479 1.052 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901727375 592445464 /nfs/dbraw/zinc/44/54/64/592445464.db2.gz FTNWNBDNGSQBHB-GHMZBOCLSA-N 2 2 343.269 1.711 20 0 EDADLP C[C@@]1(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000904309883 592473595 /nfs/dbraw/zinc/47/35/95/592473595.db2.gz RPHGLFZDMSZLKM-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)CC1(O)CCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000905345082 592500825 /nfs/dbraw/zinc/50/08/25/592500825.db2.gz LDFSRMGZQQIQCL-RTBURBONSA-N 2 2 348.487 1.051 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)CC1(O)CCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000905345082 592500827 /nfs/dbraw/zinc/50/08/27/592500827.db2.gz LDFSRMGZQQIQCL-RTBURBONSA-N 2 2 348.487 1.051 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000905363432 592515774 /nfs/dbraw/zinc/51/57/74/592515774.db2.gz FLKHRKGKKKTAIA-QYZOEREBSA-N 2 2 336.476 1.298 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000905363432 592515777 /nfs/dbraw/zinc/51/57/77/592515777.db2.gz FLKHRKGKKKTAIA-QYZOEREBSA-N 2 2 336.476 1.298 20 0 EDADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000905525773 592561327 /nfs/dbraw/zinc/56/13/27/592561327.db2.gz PQNGRMCAQASNCH-KRWDZBQOSA-N 2 2 349.456 1.374 20 0 EDADLP C[NH+]1CCC(C)(CNC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000907259542 592574234 /nfs/dbraw/zinc/57/42/34/592574234.db2.gz DMHJORVMKUVJEA-UHFFFAOYSA-N 2 2 348.491 1.282 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[NH2+]CCC34CCC4)nc[nH+]2)C1 ZINC000905658403 592599034 /nfs/dbraw/zinc/59/90/34/592599034.db2.gz JAWIZVQXMUSSKC-LSDHHAIUSA-N 2 2 331.464 1.406 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC000905896271 592671620 /nfs/dbraw/zinc/67/16/20/592671620.db2.gz OTLVJRBCEIXLMP-UKBAYJJMSA-N 2 2 336.476 1.560 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)C[C@H](C)O1 ZINC000905896271 592671621 /nfs/dbraw/zinc/67/16/21/592671621.db2.gz OTLVJRBCEIXLMP-UKBAYJJMSA-N 2 2 336.476 1.560 20 0 EDADLP Cc1cccc([C@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000905932750 592688157 /nfs/dbraw/zinc/68/81/57/592688157.db2.gz ONQRBLYIALAXPS-GOSISDBHSA-N 2 2 331.460 1.268 20 0 EDADLP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000906349748 592800720 /nfs/dbraw/zinc/80/07/20/592800720.db2.gz OZJCGUUAVRJRKL-UHFFFAOYSA-N 2 2 331.395 1.443 20 0 EDADLP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000906349748 592800723 /nfs/dbraw/zinc/80/07/23/592800723.db2.gz OZJCGUUAVRJRKL-UHFFFAOYSA-N 2 2 331.395 1.443 20 0 EDADLP [NH3+]Cc1nc(CC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cs1 ZINC000911642242 592964568 /nfs/dbraw/zinc/96/45/68/592964568.db2.gz KGZGGCARJMYENA-UHFFFAOYSA-N 2 2 331.445 1.456 20 0 EDADLP CCc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000889247850 593035345 /nfs/dbraw/zinc/03/53/45/593035345.db2.gz WWZFWVFYCSKZPS-UHFFFAOYSA-N 2 2 334.464 1.917 20 0 EDADLP Cc1ccccc1C1=NO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000912386133 593089996 /nfs/dbraw/zinc/08/99/96/593089996.db2.gz AXBYEEFXMQFYQT-GOSISDBHSA-N 2 2 346.475 1.488 20 0 EDADLP Cc1ccccc1C1=NO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000912386133 593089997 /nfs/dbraw/zinc/08/99/97/593089997.db2.gz AXBYEEFXMQFYQT-GOSISDBHSA-N 2 2 346.475 1.488 20 0 EDADLP C[C@]1(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C[NH+]2CCC1CC2 ZINC000912374628 593091206 /nfs/dbraw/zinc/09/12/06/593091206.db2.gz OEWWHQWHHQMOIU-OCCSQVGLSA-N 2 2 330.354 1.977 20 0 EDADLP O=C1C[C@]2(CCOC2)CN1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782943546 593130551 /nfs/dbraw/zinc/13/05/51/593130551.db2.gz UKNHPYDWOOEZNK-LJQANCHMSA-N 2 2 346.475 1.972 20 0 EDADLP CCn1ncc(C[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)n1 ZINC000838905246 593229947 /nfs/dbraw/zinc/22/99/47/593229947.db2.gz QUXPXCPVMDQNMN-UHFFFAOYSA-N 2 2 342.491 1.725 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804142673 593390406 /nfs/dbraw/zinc/39/04/06/593390406.db2.gz DUHYVQJBISSPPY-CVEARBPZSA-N 2 2 341.415 1.046 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804142673 593390409 /nfs/dbraw/zinc/39/04/09/593390409.db2.gz DUHYVQJBISSPPY-CVEARBPZSA-N 2 2 341.415 1.046 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)c(N(C)C)[nH+]1 ZINC000810463252 593403469 /nfs/dbraw/zinc/40/34/69/593403469.db2.gz QMPCVESTGSRZKQ-CYBMUJFWSA-N 2 2 335.452 1.239 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c(N(C)C)[nH+]1 ZINC000810463252 593403471 /nfs/dbraw/zinc/40/34/71/593403471.db2.gz QMPCVESTGSRZKQ-CYBMUJFWSA-N 2 2 335.452 1.239 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000810496151 593406094 /nfs/dbraw/zinc/40/60/94/593406094.db2.gz ONKWNIUVAVOIHP-AWEZNQCLSA-N 2 2 349.479 1.631 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000810496151 593406096 /nfs/dbraw/zinc/40/60/96/593406096.db2.gz ONKWNIUVAVOIHP-AWEZNQCLSA-N 2 2 349.479 1.631 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)C(C)(C)[C@H]2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000811759231 593479462 /nfs/dbraw/zinc/47/94/62/593479462.db2.gz BPPLORXJIFLIFE-BPQIPLTHSA-N 2 2 348.535 1.549 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)C(C)(C)[C@H]2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000811759231 593479463 /nfs/dbraw/zinc/47/94/63/593479463.db2.gz BPPLORXJIFLIFE-BPQIPLTHSA-N 2 2 348.535 1.549 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)C2CC(OC(C)(C)C)C2)C1 ZINC000817374298 593598230 /nfs/dbraw/zinc/59/82/30/593598230.db2.gz WCZFFQPNCPUGIQ-WLYUNCDWSA-N 2 2 334.464 1.971 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)C2CC(OC(C)(C)C)C2)C1 ZINC000817374298 593598231 /nfs/dbraw/zinc/59/82/31/593598231.db2.gz WCZFFQPNCPUGIQ-WLYUNCDWSA-N 2 2 334.464 1.971 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](O)C12CCCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000814668005 593600364 /nfs/dbraw/zinc/60/03/64/593600364.db2.gz VQZHSBFPANBUSC-QGZVFWFLSA-N 2 2 347.459 1.303 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](O)C12CCCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000814668005 593600365 /nfs/dbraw/zinc/60/03/65/593600365.db2.gz VQZHSBFPANBUSC-QGZVFWFLSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817945205 593650996 /nfs/dbraw/zinc/65/09/96/593650996.db2.gz WXKAXLABMFESNQ-USXIJHARSA-N 2 2 333.432 1.364 20 0 EDADLP FC1(F)Oc2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2O1 ZINC000818187421 593679939 /nfs/dbraw/zinc/67/99/39/593679939.db2.gz XYDIDIUDWZRJPD-OLZOCXBDSA-N 2 2 326.343 1.961 20 0 EDADLP FC1(F)Oc2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2O1 ZINC000818187421 593679940 /nfs/dbraw/zinc/67/99/40/593679940.db2.gz XYDIDIUDWZRJPD-OLZOCXBDSA-N 2 2 326.343 1.961 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000818986197 593732466 /nfs/dbraw/zinc/73/24/66/593732466.db2.gz IALCQLWOHBELRX-YQVWRLOYSA-N 2 2 348.443 1.082 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000818986197 593732467 /nfs/dbraw/zinc/73/24/67/593732467.db2.gz IALCQLWOHBELRX-YQVWRLOYSA-N 2 2 348.443 1.082 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1Cl ZINC000818986679 593732491 /nfs/dbraw/zinc/73/24/91/593732491.db2.gz RNDAXTJQRJBPES-XJKCOSOUSA-N 2 2 328.815 1.965 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1Cl ZINC000818986679 593732492 /nfs/dbraw/zinc/73/24/92/593732492.db2.gz RNDAXTJQRJBPES-XJKCOSOUSA-N 2 2 328.815 1.965 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819050664 593735624 /nfs/dbraw/zinc/73/56/24/593735624.db2.gz VVBGAEDXZQRAHW-DZGCQCFKSA-N 2 2 347.381 1.454 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819050664 593735625 /nfs/dbraw/zinc/73/56/25/593735625.db2.gz VVBGAEDXZQRAHW-DZGCQCFKSA-N 2 2 347.381 1.454 20 0 EDADLP Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000819077851 593737548 /nfs/dbraw/zinc/73/75/48/593737548.db2.gz PKNDCFCMFQGGGR-VQTJNVASSA-N 2 2 347.503 1.333 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C[N@@H+]1C1CC1 ZINC000819143813 593741087 /nfs/dbraw/zinc/74/10/87/593741087.db2.gz NLJYYIWWFJZQOH-MRRJBJDNSA-N 2 2 338.473 1.338 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C[N@H+]1C1CC1 ZINC000819143813 593741088 /nfs/dbraw/zinc/74/10/88/593741088.db2.gz NLJYYIWWFJZQOH-MRRJBJDNSA-N 2 2 338.473 1.338 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000819153790 593741721 /nfs/dbraw/zinc/74/17/21/593741721.db2.gz NIIWUBYGTSUEOC-SNPRPXQTSA-N 2 2 327.469 1.334 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000819153790 593741722 /nfs/dbraw/zinc/74/17/22/593741722.db2.gz NIIWUBYGTSUEOC-SNPRPXQTSA-N 2 2 327.469 1.334 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824548750 594036485 /nfs/dbraw/zinc/03/64/85/594036485.db2.gz ZFHCHNXWBUYPCY-LLVKDONJSA-N 2 2 334.399 1.113 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000822365601 594038973 /nfs/dbraw/zinc/03/89/73/594038973.db2.gz XTEIRBGTIYWHQC-UHFFFAOYSA-N 2 2 344.459 1.652 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584969 594043226 /nfs/dbraw/zinc/04/32/26/594043226.db2.gz KLYCPPNXGBGEFJ-YUTCNCBUSA-N 2 2 346.410 1.520 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824584969 594043228 /nfs/dbraw/zinc/04/32/28/594043228.db2.gz KLYCPPNXGBGEFJ-YUTCNCBUSA-N 2 2 346.410 1.520 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)Cc3ccc[nH+]c3N2C1 ZINC000825258016 594156958 /nfs/dbraw/zinc/15/69/58/594156958.db2.gz IBFFHNIJEPILBX-HZPDHXFCSA-N 2 2 344.459 1.359 20 0 EDADLP Cc1cnccc1/C=C/C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823282550 594180027 /nfs/dbraw/zinc/18/00/27/594180027.db2.gz SCJCAGHDLAZGLX-REMYHPOOSA-N 2 2 328.460 1.688 20 0 EDADLP Cc1cnccc1/C=C/C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823282550 594180030 /nfs/dbraw/zinc/18/00/30/594180030.db2.gz SCJCAGHDLAZGLX-REMYHPOOSA-N 2 2 328.460 1.688 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)/C=C\c2cn(C)c[nH+]2)CC1 ZINC000827621196 594246127 /nfs/dbraw/zinc/24/61/27/594246127.db2.gz VHUUXNHZASSJQF-PLNGDYQASA-N 2 2 332.448 1.537 20 0 EDADLP COC(=O)/C=C/c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)o1 ZINC000827699320 594260169 /nfs/dbraw/zinc/26/01/69/594260169.db2.gz HCHLKBITVACJFN-MBVDDHJVSA-N 2 2 334.416 1.497 20 0 EDADLP COC(=O)/C=C/c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)o1 ZINC000827699320 594260170 /nfs/dbraw/zinc/26/01/70/594260170.db2.gz HCHLKBITVACJFN-MBVDDHJVSA-N 2 2 334.416 1.497 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1C ZINC000827976807 594313422 /nfs/dbraw/zinc/31/34/22/594313422.db2.gz UPDKOCHJQCTLMO-GFCCVEGCSA-N 2 2 329.404 1.437 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000828067067 594334051 /nfs/dbraw/zinc/33/40/51/594334051.db2.gz AREMDASCCSASPP-JSGCOSHPSA-N 2 2 334.291 1.809 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000828067067 594334053 /nfs/dbraw/zinc/33/40/53/594334053.db2.gz AREMDASCCSASPP-JSGCOSHPSA-N 2 2 334.291 1.809 20 0 EDADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1-c1nn[nH]n1 ZINC000826194676 594372539 /nfs/dbraw/zinc/37/25/39/594372539.db2.gz SKQDSCIJKZPHRK-UHFFFAOYSA-N 2 2 339.403 1.909 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CCO2 ZINC000830647493 594446780 /nfs/dbraw/zinc/44/67/80/594446780.db2.gz LHTOBFWNNONWCR-UHFFFAOYSA-N 3 2 327.432 1.564 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)nc1)CCO2 ZINC000830647493 594446782 /nfs/dbraw/zinc/44/67/82/594446782.db2.gz LHTOBFWNNONWCR-UHFFFAOYSA-N 3 2 327.432 1.564 20 0 EDADLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc(-c2nn[nH]n2)n1 ZINC000826515540 594513613 /nfs/dbraw/zinc/51/36/13/594513613.db2.gz BWGGXVNIZQYWGA-UHFFFAOYSA-N 2 2 327.436 1.712 20 0 EDADLP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(-c2nn[nH]n2)n1 ZINC000826516052 594514187 /nfs/dbraw/zinc/51/41/87/594514187.db2.gz VMHHVXOCMCKEPW-HNNXBMFYSA-N 2 2 327.436 1.712 20 0 EDADLP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc(-c2nn[nH]n2)n1 ZINC000826516052 594514188 /nfs/dbraw/zinc/51/41/88/594514188.db2.gz VMHHVXOCMCKEPW-HNNXBMFYSA-N 2 2 327.436 1.712 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000826551435 594523204 /nfs/dbraw/zinc/52/32/04/594523204.db2.gz MENFUSZIXIYSTJ-RBUKOAKNSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000826551435 594523206 /nfs/dbraw/zinc/52/32/06/594523206.db2.gz MENFUSZIXIYSTJ-RBUKOAKNSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC000826551435 594523208 /nfs/dbraw/zinc/52/32/08/594523208.db2.gz MENFUSZIXIYSTJ-RBUKOAKNSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC000826551435 594523210 /nfs/dbraw/zinc/52/32/10/594523210.db2.gz MENFUSZIXIYSTJ-RBUKOAKNSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000826555460 594524330 /nfs/dbraw/zinc/52/43/30/594524330.db2.gz BUBSIIMTXRIHSG-GOSISDBHSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000826555460 594524331 /nfs/dbraw/zinc/52/43/31/594524331.db2.gz BUBSIIMTXRIHSG-GOSISDBHSA-N 2 2 342.443 1.668 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000831211762 594581934 /nfs/dbraw/zinc/58/19/34/594581934.db2.gz JINVYYBRWUTMKU-RYUDHWBXSA-N 2 2 327.498 1.321 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000829236812 594586103 /nfs/dbraw/zinc/58/61/03/594586103.db2.gz ZXDXDCWVQVDPOT-HNNXBMFYSA-N 2 2 332.448 1.016 20 0 EDADLP Cn1c[nH+]c(/C=C/C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)c1 ZINC000829401022 594607942 /nfs/dbraw/zinc/60/79/42/594607942.db2.gz NDROXOMMWLOLCW-VOTSOKGWSA-N 2 2 334.464 1.783 20 0 EDADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1(C)C ZINC000831392059 594621742 /nfs/dbraw/zinc/62/17/42/594621742.db2.gz FLRCMPDJJZCXBJ-ZTFGCOKTSA-N 2 2 349.475 1.573 20 0 EDADLP [NH3+]CCOc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000841283873 594881086 /nfs/dbraw/zinc/88/10/86/594881086.db2.gz AAAGJSQZIFMOGV-MRXNPFEDSA-N 2 2 348.447 1.353 20 0 EDADLP C[C@@]1(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCC[NH2+]C1 ZINC000841672803 594933597 /nfs/dbraw/zinc/93/35/97/594933597.db2.gz RBLSXLSTKFIBOE-QGZVFWFLSA-N 2 2 328.420 1.456 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cn1 ZINC000841722405 594943597 /nfs/dbraw/zinc/94/35/97/594943597.db2.gz NOWXTYGUPJGOHC-QWHCGFSZSA-N 2 2 328.420 1.468 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000841763683 594948606 /nfs/dbraw/zinc/94/86/06/594948606.db2.gz PJBGCEMUFPLYNH-SOUVJXGZSA-N 2 2 341.496 1.989 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841999395 594998463 /nfs/dbraw/zinc/99/84/63/594998463.db2.gz AEFYOYMQIFSNQO-FVQHAEBGSA-N 2 2 338.496 1.128 20 0 EDADLP COC(=O)C1=C(C[N@H+](C)CCC[NH3+])N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000843351115 595083561 /nfs/dbraw/zinc/08/35/61/595083561.db2.gz GZFNOHHPHLLJSA-MRXNPFEDSA-N 2 2 346.431 1.090 20 0 EDADLP COC(=O)C1=C(C[N@@H+](C)CCC[NH3+])N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000843351115 595083565 /nfs/dbraw/zinc/08/35/65/595083565.db2.gz GZFNOHHPHLLJSA-MRXNPFEDSA-N 2 2 346.431 1.090 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)[nH]n1 ZINC000843398143 595100179 /nfs/dbraw/zinc/10/01/79/595100179.db2.gz AMJNVJCMOZZSLY-UHFFFAOYSA-N 2 2 340.387 1.765 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1)NC(=O)NCc1ccccc1 ZINC000842477168 595115255 /nfs/dbraw/zinc/11/52/55/595115255.db2.gz MVKGULFJOSFWKB-SFHVURJKSA-N 2 2 330.432 1.230 20 0 EDADLP O=C(CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1)NC(=O)NCc1ccccc1 ZINC000842477168 595115256 /nfs/dbraw/zinc/11/52/56/595115256.db2.gz MVKGULFJOSFWKB-SFHVURJKSA-N 2 2 330.432 1.230 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1nc(CC)n(CC)c1=O ZINC000842599696 595137003 /nfs/dbraw/zinc/13/70/03/595137003.db2.gz BKOCJXYEAXYNRG-UHFFFAOYSA-N 2 2 334.468 1.756 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1nc(CC)n(CC)c1=O ZINC000842599696 595137005 /nfs/dbraw/zinc/13/70/05/595137005.db2.gz BKOCJXYEAXYNRG-UHFFFAOYSA-N 2 2 334.468 1.756 20 0 EDADLP CN(C)[C@@H](C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1c[nH+]cn1C ZINC000843781392 595184375 /nfs/dbraw/zinc/18/43/75/595184375.db2.gz UVJYQMIAJMAFOZ-GOSISDBHSA-N 2 2 343.475 1.743 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000843068870 595279734 /nfs/dbraw/zinc/27/97/34/595279734.db2.gz MFKMKNJJNBOAJC-DOMZBBRYSA-N 2 2 332.366 1.784 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000843068870 595279736 /nfs/dbraw/zinc/27/97/36/595279736.db2.gz MFKMKNJJNBOAJC-DOMZBBRYSA-N 2 2 332.366 1.784 20 0 EDADLP CC(C)C[C@H](O)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000844165732 595288869 /nfs/dbraw/zinc/28/88/69/595288869.db2.gz VBOVSRGUTPLJMB-ROUUACIJSA-N 2 2 344.459 1.324 20 0 EDADLP c1cn(-c2cccc(-c3noc(C[C@H]4CSCC[NH2+]4)n3)n2)c[nH+]1 ZINC000843190522 595301983 /nfs/dbraw/zinc/30/19/83/595301983.db2.gz KABSMHLDPLJGBR-NSHDSACASA-N 2 2 328.401 1.565 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844223300 595308088 /nfs/dbraw/zinc/30/80/88/595308088.db2.gz XJTRWXOAPAUQPT-LSDHHAIUSA-N 2 2 332.448 1.131 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844223300 595308092 /nfs/dbraw/zinc/30/80/92/595308092.db2.gz XJTRWXOAPAUQPT-LSDHHAIUSA-N 2 2 332.448 1.131 20 0 EDADLP C[NH+](C)C1CC[NH+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846769828 595314197 /nfs/dbraw/zinc/31/41/97/595314197.db2.gz PSHJJNDYZNKKBI-QGZVFWFLSA-N 2 2 327.469 1.384 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839151 595324737 /nfs/dbraw/zinc/32/47/37/595324737.db2.gz DPVHXRGKKHQZJX-MRXNPFEDSA-N 2 2 339.867 1.763 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839151 595324743 /nfs/dbraw/zinc/32/47/43/595324743.db2.gz DPVHXRGKKHQZJX-MRXNPFEDSA-N 2 2 339.867 1.763 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000846839151 595324746 /nfs/dbraw/zinc/32/47/46/595324746.db2.gz DPVHXRGKKHQZJX-MRXNPFEDSA-N 2 2 339.867 1.763 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851683 595326796 /nfs/dbraw/zinc/32/67/96/595326796.db2.gz TXQPHOYEAFKTTB-SWLSCSKDSA-N 2 2 329.466 1.021 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851683 595326798 /nfs/dbraw/zinc/32/67/98/595326798.db2.gz TXQPHOYEAFKTTB-SWLSCSKDSA-N 2 2 329.466 1.021 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000844940326 595417071 /nfs/dbraw/zinc/41/70/71/595417071.db2.gz YMZJJALKJAWBIW-UHFFFAOYSA-N 2 2 342.447 1.895 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848645682 595422147 /nfs/dbraw/zinc/42/21/47/595422147.db2.gz WAQPSTUOKRTVIJ-LBPRGKRZSA-N 2 2 331.424 1.001 20 0 EDADLP COc1cnc(F)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000847486081 595431574 /nfs/dbraw/zinc/43/15/74/595431574.db2.gz OOHUIBWPCWVIQK-LBPRGKRZSA-N 2 2 336.411 1.128 20 0 EDADLP COc1cnc(F)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000847486081 595431575 /nfs/dbraw/zinc/43/15/75/595431575.db2.gz OOHUIBWPCWVIQK-LBPRGKRZSA-N 2 2 336.411 1.128 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848776589 595445204 /nfs/dbraw/zinc/44/52/04/595445204.db2.gz JUIIDBWRDBGTSF-AEFFLSMTSA-N 2 2 332.444 1.772 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848776589 595445205 /nfs/dbraw/zinc/44/52/05/595445205.db2.gz JUIIDBWRDBGTSF-AEFFLSMTSA-N 2 2 332.444 1.772 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000848780577 595446436 /nfs/dbraw/zinc/44/64/36/595446436.db2.gz SOPUCRXZLRUMSZ-CQSZACIVSA-N 2 2 344.415 1.352 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)s1 ZINC000848921265 595467861 /nfs/dbraw/zinc/46/78/61/595467861.db2.gz QQFSIQDICKUFQS-HNNXBMFYSA-N 2 2 336.505 1.941 20 0 EDADLP [NH2+]=C(NCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CCCO1 ZINC000849010348 595474682 /nfs/dbraw/zinc/47/46/82/595474682.db2.gz KTUXBXJGWBRMMN-QGZVFWFLSA-N 2 2 331.464 1.102 20 0 EDADLP COc1ccc(OC)c(NC(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000849099875 595481701 /nfs/dbraw/zinc/48/17/01/595481701.db2.gz FJRHPSCQIGYALK-UHFFFAOYSA-N 2 2 332.408 1.640 20 0 EDADLP CCOC(=O)C[NH+]1CCC(COC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000845466442 595502450 /nfs/dbraw/zinc/50/24/50/595502450.db2.gz ZHEANPDOMPUJLW-AWEZNQCLSA-N 2 2 337.420 1.653 20 0 EDADLP C[C@H](CC(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1)n1cc[nH+]c1 ZINC000845544897 595516426 /nfs/dbraw/zinc/51/64/26/595516426.db2.gz SIDUUGJCYXJNKA-CHWSQXEVSA-N 2 2 330.392 1.419 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000860030653 595549152 /nfs/dbraw/zinc/54/91/52/595549152.db2.gz TYYDGRQRJIHYQZ-INIZCTEOSA-N 2 2 337.464 1.546 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000858126017 595705718 /nfs/dbraw/zinc/70/57/18/595705718.db2.gz RROSJNREHIDEEJ-MRXNPFEDSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000858126017 595705721 /nfs/dbraw/zinc/70/57/21/595705721.db2.gz RROSJNREHIDEEJ-MRXNPFEDSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000109754835 595721826 /nfs/dbraw/zinc/72/18/26/595721826.db2.gz DMNQEOVAPGRQGF-MOPGFXCFSA-N 2 2 335.467 1.961 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000109754835 595721830 /nfs/dbraw/zinc/72/18/30/595721830.db2.gz DMNQEOVAPGRQGF-MOPGFXCFSA-N 2 2 335.467 1.961 20 0 EDADLP COCC[N@H+](C)CCCC1CC[NH+](Cn2nc(C)oc2=O)CC1 ZINC000853505799 595773100 /nfs/dbraw/zinc/77/31/00/595773100.db2.gz QYDMCJJGMSDGMY-UHFFFAOYSA-N 2 2 326.441 1.173 20 0 EDADLP COCC[N@@H+](C)CCCC1CC[NH+](Cn2nc(C)oc2=O)CC1 ZINC000853505799 595773102 /nfs/dbraw/zinc/77/31/02/595773102.db2.gz QYDMCJJGMSDGMY-UHFFFAOYSA-N 2 2 326.441 1.173 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000853590580 595818698 /nfs/dbraw/zinc/81/86/98/595818698.db2.gz TZXYVFROJUSKSI-OAHLLOKOSA-N 2 2 342.447 1.939 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000853590580 595818700 /nfs/dbraw/zinc/81/87/00/595818700.db2.gz TZXYVFROJUSKSI-OAHLLOKOSA-N 2 2 342.447 1.939 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000853607759 595829826 /nfs/dbraw/zinc/82/98/26/595829826.db2.gz UWXVCOXSIRAOEE-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000853607759 595829828 /nfs/dbraw/zinc/82/98/28/595829828.db2.gz UWXVCOXSIRAOEE-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP O=[S@@](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(F)(F)F ZINC000850493583 595842962 /nfs/dbraw/zinc/84/29/62/595842962.db2.gz JTKFFNSOEIOUNJ-GTJPDFRWSA-N 2 2 328.400 1.140 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc(N2CCCC2)cc[nH+]1 ZINC000858685733 595864827 /nfs/dbraw/zinc/86/48/27/595864827.db2.gz FUAQHCXILKYVFK-SFHVURJKSA-N 2 2 347.463 1.105 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1nc(N2CCCC2)cc[nH+]1 ZINC000858685733 595864829 /nfs/dbraw/zinc/86/48/29/595864829.db2.gz FUAQHCXILKYVFK-SFHVURJKSA-N 2 2 347.463 1.105 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000851998038 596001295 /nfs/dbraw/zinc/00/12/95/596001295.db2.gz FEVCOGYRCLGHKZ-GFCCVEGCSA-N 2 2 339.403 1.870 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000854225188 596007444 /nfs/dbraw/zinc/00/74/44/596007444.db2.gz YMYHAKKQQGGSTN-TWMKSMIVSA-N 2 2 335.423 1.154 20 0 EDADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000854224045 596007482 /nfs/dbraw/zinc/00/74/82/596007482.db2.gz VBKWYPNIINMHDO-WCQYABFASA-N 2 2 338.395 1.512 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccn(C)n3)C2)ccn1 ZINC000856555263 596017231 /nfs/dbraw/zinc/01/72/31/596017231.db2.gz YZNFGQDSYAPQNQ-SFHVURJKSA-N 2 2 329.448 1.920 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccn(C)n3)C2)ccn1 ZINC000856555263 596017234 /nfs/dbraw/zinc/01/72/34/596017234.db2.gz YZNFGQDSYAPQNQ-SFHVURJKSA-N 2 2 329.448 1.920 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccn(C)n3)C2)ccn1 ZINC000856555263 596017239 /nfs/dbraw/zinc/01/72/39/596017239.db2.gz YZNFGQDSYAPQNQ-SFHVURJKSA-N 2 2 329.448 1.920 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)ccn1 ZINC000856555263 596017244 /nfs/dbraw/zinc/01/72/44/596017244.db2.gz YZNFGQDSYAPQNQ-SFHVURJKSA-N 2 2 329.448 1.920 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn(C)nn3)C2)ccn1 ZINC000856553675 596017679 /nfs/dbraw/zinc/01/76/79/596017679.db2.gz NVMMHHCLXDFMHP-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn(C)nn3)C2)ccn1 ZINC000856553675 596017682 /nfs/dbraw/zinc/01/76/82/596017682.db2.gz NVMMHHCLXDFMHP-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cn(C)nn3)C2)ccn1 ZINC000856553675 596017686 /nfs/dbraw/zinc/01/76/86/596017686.db2.gz NVMMHHCLXDFMHP-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cn(C)nn3)C2)ccn1 ZINC000856553675 596017690 /nfs/dbraw/zinc/01/76/90/596017690.db2.gz NVMMHHCLXDFMHP-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000852045288 596021876 /nfs/dbraw/zinc/02/18/76/596021876.db2.gz VHKLIMJQCZOTIW-GOSISDBHSA-N 2 2 337.464 1.174 20 0 EDADLP CC(C)(C)OC(=O)N1CCN(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000859306319 596044050 /nfs/dbraw/zinc/04/40/50/596044050.db2.gz UYHDBGFICXFNJA-UHFFFAOYSA-N 2 2 335.452 1.321 20 0 EDADLP CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000859306319 596044051 /nfs/dbraw/zinc/04/40/51/596044051.db2.gz UYHDBGFICXFNJA-UHFFFAOYSA-N 2 2 335.452 1.321 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000852343055 596131928 /nfs/dbraw/zinc/13/19/28/596131928.db2.gz ZMLOCGJUHAUOCE-UHFFFAOYSA-N 2 2 335.452 1.110 20 0 EDADLP Cn1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(Cl)n1 ZINC000857049158 596148388 /nfs/dbraw/zinc/14/83/88/596148388.db2.gz RODABUKQYUDDLM-UHFFFAOYSA-N 2 2 327.860 1.155 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529134 596190354 /nfs/dbraw/zinc/19/03/54/596190354.db2.gz OVLUQDRCXWGGBV-XOYHFGRZSA-N 2 2 327.469 1.288 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529134 596190357 /nfs/dbraw/zinc/19/03/57/596190357.db2.gz OVLUQDRCXWGGBV-XOYHFGRZSA-N 2 2 327.469 1.288 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529134 596190358 /nfs/dbraw/zinc/19/03/58/596190358.db2.gz OVLUQDRCXWGGBV-XOYHFGRZSA-N 2 2 327.469 1.288 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529134 596190361 /nfs/dbraw/zinc/19/03/61/596190361.db2.gz OVLUQDRCXWGGBV-XOYHFGRZSA-N 2 2 327.469 1.288 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000866699951 596298984 /nfs/dbraw/zinc/29/89/84/596298984.db2.gz VTVZCVFOVWCICT-QGZVFWFLSA-N 2 2 344.503 1.703 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000866699951 596298985 /nfs/dbraw/zinc/29/89/85/596298985.db2.gz VTVZCVFOVWCICT-QGZVFWFLSA-N 2 2 344.503 1.703 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866700456 596299601 /nfs/dbraw/zinc/29/96/01/596299601.db2.gz XZSLAOGQDRADDG-JKSUJKDBSA-N 2 2 325.497 1.772 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000866700456 596299602 /nfs/dbraw/zinc/29/96/02/596299602.db2.gz XZSLAOGQDRADDG-JKSUJKDBSA-N 2 2 325.497 1.772 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nc1Cl ZINC000866711104 596304248 /nfs/dbraw/zinc/30/42/48/596304248.db2.gz BYVHHRRSLQTKDG-MCIONIFRSA-N 2 2 336.823 1.410 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nc1Cl ZINC000866711104 596304251 /nfs/dbraw/zinc/30/42/51/596304251.db2.gz BYVHHRRSLQTKDG-MCIONIFRSA-N 2 2 336.823 1.410 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C\c3cncc(O)c3)c2)CC1 ZINC000870667435 596315957 /nfs/dbraw/zinc/31/59/57/596315957.db2.gz XNWXEANIZZPNRS-IHWYPQMZSA-N 2 2 339.399 1.586 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000870915966 596402187 /nfs/dbraw/zinc/40/21/87/596402187.db2.gz ADIIFLLWESYGAT-IYBDPMFKSA-N 2 2 341.459 1.496 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000870977229 596423872 /nfs/dbraw/zinc/42/38/72/596423872.db2.gz CIEMSQJNXNNUKV-FUHWJXTLSA-N 2 2 333.476 1.700 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000870977229 596423874 /nfs/dbraw/zinc/42/38/74/596423874.db2.gz CIEMSQJNXNNUKV-FUHWJXTLSA-N 2 2 333.476 1.700 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CC(C)C)C2)c1 ZINC000870977447 596424793 /nfs/dbraw/zinc/42/47/93/596424793.db2.gz GICZQIXQIWXDKH-ZWKOTPCHSA-N 2 2 333.476 1.685 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CC(C)C)C2)c1 ZINC000870977447 596424796 /nfs/dbraw/zinc/42/47/96/596424796.db2.gz GICZQIXQIWXDKH-ZWKOTPCHSA-N 2 2 333.476 1.685 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979178 596427077 /nfs/dbraw/zinc/42/70/77/596427077.db2.gz HVWPSLQOKZWCTQ-HKUYNNGSSA-N 2 2 333.476 1.830 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979178 596427080 /nfs/dbraw/zinc/42/70/80/596427080.db2.gz HVWPSLQOKZWCTQ-HKUYNNGSSA-N 2 2 333.476 1.830 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000865060784 596459346 /nfs/dbraw/zinc/45/93/46/596459346.db2.gz SVGVLOABRGELIN-HZPDHXFCSA-N 2 2 326.400 1.670 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000865060784 596459349 /nfs/dbraw/zinc/45/93/49/596459349.db2.gz SVGVLOABRGELIN-HZPDHXFCSA-N 2 2 326.400 1.670 20 0 EDADLP C[C@@H]1CCCN1CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865478919 596586628 /nfs/dbraw/zinc/58/66/28/596586628.db2.gz SCCKZBBKGRCJLM-GOSISDBHSA-N 2 2 347.503 1.972 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000863545946 596613888 /nfs/dbraw/zinc/61/38/88/596613888.db2.gz BWMOUFAHVQBDRB-UHFFFAOYSA-N 2 2 338.496 1.369 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000863553996 596616163 /nfs/dbraw/zinc/61/61/63/596616163.db2.gz PBEZPHBWQWNPTH-UHFFFAOYSA-N 2 2 328.766 1.760 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000863553996 596616166 /nfs/dbraw/zinc/61/61/66/596616166.db2.gz PBEZPHBWQWNPTH-UHFFFAOYSA-N 2 2 328.766 1.760 20 0 EDADLP COc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)C[NH+]3CCCC3)C2)cc1C ZINC000863558156 596618267 /nfs/dbraw/zinc/61/82/67/596618267.db2.gz XIARETVIEFIPLT-DLBZAZTESA-N 2 2 347.459 1.543 20 0 EDADLP COc1cc(NC(=O)CC[N@H+](C)C[C@H](C)[NH3+])c(OC)cc1Cl ZINC000863567945 596620487 /nfs/dbraw/zinc/62/04/87/596620487.db2.gz HHROCBQUZFRDLE-JTQLQIEISA-N 2 2 329.828 1.965 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+](C)C[C@H](C)[NH3+])c(OC)cc1Cl ZINC000863567945 596620488 /nfs/dbraw/zinc/62/04/88/596620488.db2.gz HHROCBQUZFRDLE-JTQLQIEISA-N 2 2 329.828 1.965 20 0 EDADLP COc1cc(NC(=O)CC[N@H+](C)C[C@@H](C)[NH3+])c(OC)cc1Cl ZINC000863567946 596620567 /nfs/dbraw/zinc/62/05/67/596620567.db2.gz HHROCBQUZFRDLE-SNVBAGLBSA-N 2 2 329.828 1.965 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+](C)C[C@@H](C)[NH3+])c(OC)cc1Cl ZINC000863567946 596620571 /nfs/dbraw/zinc/62/05/71/596620571.db2.gz HHROCBQUZFRDLE-SNVBAGLBSA-N 2 2 329.828 1.965 20 0 EDADLP OCC[NH2+]C1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865648154 596638604 /nfs/dbraw/zinc/63/86/04/596638604.db2.gz VJHZEILCFLCKJH-UHFFFAOYSA-N 2 2 327.432 1.639 20 0 EDADLP OCC[NH2+]C1CCN(c2cc(NCc3ccccc3)nc[nH+]2)CC1 ZINC000865648154 596638608 /nfs/dbraw/zinc/63/86/08/596638608.db2.gz VJHZEILCFLCKJH-UHFFFAOYSA-N 2 2 327.432 1.639 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000867998091 596648622 /nfs/dbraw/zinc/64/86/22/596648622.db2.gz PEILSSXDSWUKRR-IEBWSBKVSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000867998091 596648626 /nfs/dbraw/zinc/64/86/26/596648626.db2.gz PEILSSXDSWUKRR-IEBWSBKVSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3CC[NH2+][C@@H]3C)C2)cc1 ZINC000867997711 596648939 /nfs/dbraw/zinc/64/89/39/596648939.db2.gz ISLKJVDEQICFBT-NXHRZFHOSA-N 2 2 331.460 1.310 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3CC[NH2+][C@@H]3C)C2)cc1 ZINC000867997711 596648941 /nfs/dbraw/zinc/64/89/41/596648941.db2.gz ISLKJVDEQICFBT-NXHRZFHOSA-N 2 2 331.460 1.310 20 0 EDADLP Cc1cnc(F)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000865727774 596661471 /nfs/dbraw/zinc/66/14/71/596661471.db2.gz HWZYEPWRDXKZRG-OAHLLOKOSA-N 2 2 334.439 1.770 20 0 EDADLP Cc1cnc(F)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000865727774 596661473 /nfs/dbraw/zinc/66/14/73/596661473.db2.gz HWZYEPWRDXKZRG-OAHLLOKOSA-N 2 2 334.439 1.770 20 0 EDADLP O=C1OC[C@@]2(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)COCCN12 ZINC000865769254 596676113 /nfs/dbraw/zinc/67/61/13/596676113.db2.gz VCUGNBFDQPMIHC-QGZVFWFLSA-N 2 2 328.372 1.183 20 0 EDADLP C[C@H](CNC(=O)Cc1cn2cc(F)ccc2[nH+]1)C[NH+]1CCN(C)CC1 ZINC000865801626 596690601 /nfs/dbraw/zinc/69/06/01/596690601.db2.gz AWHDYEOKGSSZQR-CQSZACIVSA-N 2 2 347.438 1.016 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000865813672 596693998 /nfs/dbraw/zinc/69/39/98/596693998.db2.gz ZQRLLSMHDBEVIH-GOEBONIOSA-N 2 2 339.505 1.554 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000865813672 596693999 /nfs/dbraw/zinc/69/39/99/596693999.db2.gz ZQRLLSMHDBEVIH-GOEBONIOSA-N 2 2 339.505 1.554 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)s1 ZINC000868151429 596703453 /nfs/dbraw/zinc/70/34/53/596703453.db2.gz HZMKRULSNVLSCQ-CZUORRHYSA-N 2 2 348.472 1.794 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)s1 ZINC000868151429 596703455 /nfs/dbraw/zinc/70/34/55/596703455.db2.gz HZMKRULSNVLSCQ-CZUORRHYSA-N 2 2 348.472 1.794 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3CCC(C)(C)C[NH2+]3)ccc2[nH+]1 ZINC000868268114 596755718 /nfs/dbraw/zinc/75/57/18/596755718.db2.gz YMVSBVONWSFNGV-ZDUSSCGKSA-N 2 2 343.431 1.476 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[NH2+]2)c1 ZINC000870150345 596774362 /nfs/dbraw/zinc/77/43/62/596774362.db2.gz KMVIMRRHWWBVPG-GOSISDBHSA-N 2 2 331.460 1.900 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872153385 596815225 /nfs/dbraw/zinc/81/52/25/596815225.db2.gz KXUCYSKCOQJMIA-PKOBYXMFSA-N 2 2 331.460 1.381 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872153385 596815228 /nfs/dbraw/zinc/81/52/28/596815228.db2.gz KXUCYSKCOQJMIA-PKOBYXMFSA-N 2 2 331.460 1.381 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000868423278 596832911 /nfs/dbraw/zinc/83/29/11/596832911.db2.gz HGBWACKQFZWGFG-XKQJLSEDSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000868423278 596832914 /nfs/dbraw/zinc/83/29/14/596832914.db2.gz HGBWACKQFZWGFG-XKQJLSEDSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000868423278 596832919 /nfs/dbraw/zinc/83/29/19/596832919.db2.gz HGBWACKQFZWGFG-XKQJLSEDSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000868423278 596832922 /nfs/dbraw/zinc/83/29/22/596832922.db2.gz HGBWACKQFZWGFG-XKQJLSEDSA-N 2 2 332.448 1.191 20 0 EDADLP O[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000872215256 596838861 /nfs/dbraw/zinc/83/88/61/596838861.db2.gz VLQUHRXCUBOUPI-OALUTQOASA-N 2 2 327.428 1.342 20 0 EDADLP O[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000872215256 596838864 /nfs/dbraw/zinc/83/88/64/596838864.db2.gz VLQUHRXCUBOUPI-OALUTQOASA-N 2 2 327.428 1.342 20 0 EDADLP COC(=O)c1ccc(/C=C/C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000866353071 596864871 /nfs/dbraw/zinc/86/48/71/596864871.db2.gz NXOBDAIAYLEISG-FNORWQNLSA-N 2 2 349.431 1.222 20 0 EDADLP Cc1cc(NC(=O)/C=C\C[NH+]2CCOCC2)n(C2CC[NH+](C)CC2)n1 ZINC000866407952 596878439 /nfs/dbraw/zinc/87/84/39/596878439.db2.gz YYOIQPQOUNCWSZ-ARJAWSKDSA-N 2 2 347.463 1.285 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(N2CCNC2=O)cc1 ZINC000866412113 596880243 /nfs/dbraw/zinc/88/02/43/596880243.db2.gz DEUYQVFXCAUAJV-HOCLYGCPSA-N 2 2 346.475 1.712 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccc(N2CCNC2=O)cc1 ZINC000866412113 596880246 /nfs/dbraw/zinc/88/02/46/596880246.db2.gz DEUYQVFXCAUAJV-HOCLYGCPSA-N 2 2 346.475 1.712 20 0 EDADLP COC1CC[NH+](CCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000866416049 596880982 /nfs/dbraw/zinc/88/09/82/596880982.db2.gz LFNDJNDBPJZAIC-UHFFFAOYSA-N 2 2 334.395 1.243 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875644813 596931397 /nfs/dbraw/zinc/93/13/97/596931397.db2.gz NPMQOUKOMJGNKG-HNNXBMFYSA-N 2 2 349.479 1.718 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cc2[nH+]1 ZINC000874174930 596953912 /nfs/dbraw/zinc/95/39/12/596953912.db2.gz RZOJQCJNLDJYSB-DZGCQCFKSA-N 2 2 341.415 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)cc2[nH+]1 ZINC000874174930 596953914 /nfs/dbraw/zinc/95/39/14/596953914.db2.gz RZOJQCJNLDJYSB-DZGCQCFKSA-N 2 2 341.415 1.134 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000875709908 596955775 /nfs/dbraw/zinc/95/57/75/596955775.db2.gz MDVKUBZFQSIYTR-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000875709908 596955777 /nfs/dbraw/zinc/95/57/77/596955777.db2.gz MDVKUBZFQSIYTR-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000875709908 596955778 /nfs/dbraw/zinc/95/57/78/596955778.db2.gz MDVKUBZFQSIYTR-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000875709908 596955782 /nfs/dbraw/zinc/95/57/82/596955782.db2.gz MDVKUBZFQSIYTR-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000874433143 597076232 /nfs/dbraw/zinc/07/62/32/597076232.db2.gz GATBPPYSADORCO-INIZCTEOSA-N 2 2 335.411 1.848 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccnn1C ZINC000876272985 597157775 /nfs/dbraw/zinc/15/77/75/597157775.db2.gz CAKABWYKMYXAID-CQSZACIVSA-N 2 2 336.484 1.149 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccnn1C ZINC000876272985 597157777 /nfs/dbraw/zinc/15/77/77/597157777.db2.gz CAKABWYKMYXAID-CQSZACIVSA-N 2 2 336.484 1.149 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)nn2)cc1 ZINC000873027740 597164726 /nfs/dbraw/zinc/16/47/26/597164726.db2.gz XDMANGYQUFJNPW-HNNXBMFYSA-N 2 2 340.431 1.957 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000874826869 597186571 /nfs/dbraw/zinc/18/65/71/597186571.db2.gz WYWLHPQFEGDYHF-HOTGVXAUSA-N 2 2 326.400 1.887 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000874826869 597186573 /nfs/dbraw/zinc/18/65/73/597186573.db2.gz WYWLHPQFEGDYHF-HOTGVXAUSA-N 2 2 326.400 1.887 20 0 EDADLP CCOC1CC2(C[C@@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000876430230 597202587 /nfs/dbraw/zinc/20/25/87/597202587.db2.gz OEGORSSXPQLMFS-CKDBGZEDSA-N 2 2 326.485 1.127 20 0 EDADLP CCOC1CC2(C[C@@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000876430230 597202589 /nfs/dbraw/zinc/20/25/89/597202589.db2.gz OEGORSSXPQLMFS-CKDBGZEDSA-N 2 2 326.485 1.127 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)nn2)cc1 ZINC000873127120 597206183 /nfs/dbraw/zinc/20/61/83/597206183.db2.gz IKZGUIREVMLPRQ-CQSZACIVSA-N 2 2 338.415 1.705 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)nn2)cc1 ZINC000873127120 597206184 /nfs/dbraw/zinc/20/61/84/597206184.db2.gz IKZGUIREVMLPRQ-CQSZACIVSA-N 2 2 338.415 1.705 20 0 EDADLP O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873200592 597224911 /nfs/dbraw/zinc/22/49/11/597224911.db2.gz GRPIUQJTWWRRIL-HNNXBMFYSA-N 2 2 335.473 1.217 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000875126738 597292620 /nfs/dbraw/zinc/29/26/20/597292620.db2.gz BODLZZKVTMDXGO-MRXNPFEDSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000875126738 597292621 /nfs/dbraw/zinc/29/26/21/597292621.db2.gz BODLZZKVTMDXGO-MRXNPFEDSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCO1 ZINC000875193776 597322695 /nfs/dbraw/zinc/32/26/95/597322695.db2.gz FULLJTZFPAKCOS-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCO1 ZINC000875193776 597322697 /nfs/dbraw/zinc/32/26/97/597322697.db2.gz FULLJTZFPAKCOS-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000876755152 597323570 /nfs/dbraw/zinc/32/35/70/597323570.db2.gz RZFSDBXPFOLRTG-LESCRADOSA-N 2 2 349.450 1.848 20 0 EDADLP Cn1ncc(C[NH3+])c1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000876756678 597324467 /nfs/dbraw/zinc/32/44/67/597324467.db2.gz VZRZEMQQQCOIJW-UHFFFAOYSA-N 2 2 342.447 1.584 20 0 EDADLP COc1c(C)cnc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1C ZINC000877030506 597416683 /nfs/dbraw/zinc/41/66/83/597416683.db2.gz DUJDBYDEESKDEU-QGZVFWFLSA-N 2 2 348.491 1.203 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000877248867 597479003 /nfs/dbraw/zinc/47/90/03/597479003.db2.gz QMAKXXXHYXMMIY-ZWKOTPCHSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000877248867 597479004 /nfs/dbraw/zinc/47/90/04/597479004.db2.gz QMAKXXXHYXMMIY-ZWKOTPCHSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)CC2 ZINC000877355465 597499799 /nfs/dbraw/zinc/49/97/99/597499799.db2.gz NSJSCAMNJPUKIF-GRYCIOLGSA-N 2 2 330.354 1.350 20 0 EDADLP NS(=O)(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000877485128 597523530 /nfs/dbraw/zinc/52/35/30/597523530.db2.gz LLQVCEAPURPOOO-OAHLLOKOSA-N 2 2 333.413 1.382 20 0 EDADLP NS(=O)(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000877485128 597523531 /nfs/dbraw/zinc/52/35/31/597523531.db2.gz LLQVCEAPURPOOO-OAHLLOKOSA-N 2 2 333.413 1.382 20 0 EDADLP COCC[N@@H+](Cc1ccc(S(C)(=O)=O)o1)CC1CC[NH+](C)CC1 ZINC000877663834 597545888 /nfs/dbraw/zinc/54/58/88/597545888.db2.gz BENXDQOSARBPMM-UHFFFAOYSA-N 2 2 344.477 1.473 20 0 EDADLP COCC[N@H+](Cc1ccc(S(C)(=O)=O)o1)CC1CC[NH+](C)CC1 ZINC000877663834 597545889 /nfs/dbraw/zinc/54/58/89/597545889.db2.gz BENXDQOSARBPMM-UHFFFAOYSA-N 2 2 344.477 1.473 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1C ZINC000877743715 597552492 /nfs/dbraw/zinc/55/24/92/597552492.db2.gz YBHNEFKKUXJPIO-NVXWUHKLSA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1C ZINC000877743715 597552493 /nfs/dbraw/zinc/55/24/93/597552493.db2.gz YBHNEFKKUXJPIO-NVXWUHKLSA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000877743715 597552494 /nfs/dbraw/zinc/55/24/94/597552494.db2.gz YBHNEFKKUXJPIO-NVXWUHKLSA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1C ZINC000877743715 597552495 /nfs/dbraw/zinc/55/24/95/597552495.db2.gz YBHNEFKKUXJPIO-NVXWUHKLSA-N 2 2 334.464 1.589 20 0 EDADLP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000877801444 597558947 /nfs/dbraw/zinc/55/89/47/597558947.db2.gz KUUHMRIIVNJFOC-BFYDXBDKSA-N 2 2 346.475 1.461 20 0 EDADLP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000877801444 597558948 /nfs/dbraw/zinc/55/89/48/597558948.db2.gz KUUHMRIIVNJFOC-BFYDXBDKSA-N 2 2 346.475 1.461 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)CC3(O)CCCCC3)CC2)c1 ZINC000878057589 597572709 /nfs/dbraw/zinc/57/27/09/597572709.db2.gz OKJVXFJXGBHCEA-MRXNPFEDSA-N 2 2 349.475 1.658 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1C ZINC000878247839 597589817 /nfs/dbraw/zinc/58/98/17/597589817.db2.gz JDEBFYMKMNPUJS-SFHVURJKSA-N 2 2 345.487 1.993 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1C ZINC000878247839 597589818 /nfs/dbraw/zinc/58/98/18/597589818.db2.gz JDEBFYMKMNPUJS-SFHVURJKSA-N 2 2 345.487 1.993 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880131400 597849430 /nfs/dbraw/zinc/84/94/30/597849430.db2.gz KOKITEXZRKEZLR-KZNAEPCWSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880131400 597849432 /nfs/dbraw/zinc/84/94/32/597849432.db2.gz KOKITEXZRKEZLR-KZNAEPCWSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880131400 597849434 /nfs/dbraw/zinc/84/94/34/597849434.db2.gz KOKITEXZRKEZLR-KZNAEPCWSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880131400 597849436 /nfs/dbraw/zinc/84/94/36/597849436.db2.gz KOKITEXZRKEZLR-KZNAEPCWSA-N 2 2 334.460 1.741 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260466 597885831 /nfs/dbraw/zinc/88/58/31/597885831.db2.gz CMRGPZKASZERRX-BFYDXBDKSA-N 2 2 332.448 1.276 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260466 597885834 /nfs/dbraw/zinc/88/58/34/597885834.db2.gz CMRGPZKASZERRX-BFYDXBDKSA-N 2 2 332.448 1.276 20 0 EDADLP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000882330449 597936387 /nfs/dbraw/zinc/93/63/87/597936387.db2.gz HNACGOZPICNRRU-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000882330449 597936389 /nfs/dbraw/zinc/93/63/89/597936389.db2.gz HNACGOZPICNRRU-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)c2cccc(OCC[NH2+]C)c2)CC1 ZINC000884184940 598017651 /nfs/dbraw/zinc/01/76/51/598017651.db2.gz FLXBTGAAEJKYHM-UHFFFAOYSA-N 2 2 335.448 1.079 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c[nH+]1 ZINC000884382038 598087214 /nfs/dbraw/zinc/08/72/14/598087214.db2.gz YRQCOFIEQADEAR-HRCADAONSA-N 2 2 334.464 1.672 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000884401313 598094091 /nfs/dbraw/zinc/09/40/91/598094091.db2.gz LCUPDUDWGLCDSP-GJZGRUSLSA-N 2 2 335.448 1.124 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000884401313 598094094 /nfs/dbraw/zinc/09/40/94/598094094.db2.gz LCUPDUDWGLCDSP-GJZGRUSLSA-N 2 2 335.448 1.124 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CC3CC3)C2)cc1 ZINC000884470004 598114299 /nfs/dbraw/zinc/11/42/99/598114299.db2.gz BWIGWKWOGQUMPD-ZWKOTPCHSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])CC3CC3)C2)cc1 ZINC000884470004 598114302 /nfs/dbraw/zinc/11/43/02/598114302.db2.gz BWIGWKWOGQUMPD-ZWKOTPCHSA-N 2 2 331.460 1.439 20 0 EDADLP CN(C)c1cc[nH+]c(CNC(=O)NCCCNc2cccc[nH+]2)c1 ZINC000914153635 695164122 /nfs/dbraw/zinc/16/41/22/695164122.db2.gz GWOSSZQSAJWMRN-UHFFFAOYSA-N 2 2 328.420 1.844 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@H]3C2)c[nH+]1 ZINC000992728035 695244698 /nfs/dbraw/zinc/24/46/98/695244698.db2.gz LVJCIGVZKCSYPN-JYJNAYRXSA-N 2 2 334.464 1.136 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC000992739009 695261266 /nfs/dbraw/zinc/26/12/66/695261266.db2.gz IDABKWUPERQQJM-BJJXKVORSA-N 2 2 328.416 1.386 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939856721 699995563 /nfs/dbraw/zinc/99/55/63/699995563.db2.gz PCGQNDPNVJFNEA-JSGCOSHPSA-N 2 2 333.823 1.568 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC000939858289 699997532 /nfs/dbraw/zinc/99/75/32/699997532.db2.gz XTLHOSMANSEKRY-GDBMZVCRSA-N 2 2 330.436 1.297 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000939858609 699997776 /nfs/dbraw/zinc/99/77/76/699997776.db2.gz ZKHQJALHQLLPIY-GDBMZVCRSA-N 2 2 344.463 1.471 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)[C@H]2C1 ZINC000992847206 695405880 /nfs/dbraw/zinc/40/58/80/695405880.db2.gz AGNWBMFDZSWQAV-RYQLBKOJSA-N 2 2 330.476 1.979 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnsn3)[C@H]2C1 ZINC000992920518 695454355 /nfs/dbraw/zinc/45/43/55/695454355.db2.gz DCPGITLQZGIQQK-AEGPPILISA-N 2 2 346.460 1.152 20 0 EDADLP CCO[C@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)C[NH+](C)C ZINC000915488489 695843330 /nfs/dbraw/zinc/84/33/30/695843330.db2.gz XMEQLOHJVZWSAN-CQSZACIVSA-N 2 2 338.452 1.473 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994208955 696582157 /nfs/dbraw/zinc/58/21/57/696582157.db2.gz NFBMLPXJSBDXSQ-RHSMWYFYSA-N 2 2 344.463 1.174 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994208955 696582159 /nfs/dbraw/zinc/58/21/59/696582159.db2.gz NFBMLPXJSBDXSQ-RHSMWYFYSA-N 2 2 344.463 1.174 20 0 EDADLP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cn1 ZINC000994408132 696831599 /nfs/dbraw/zinc/83/15/99/696831599.db2.gz NFSLGNLIFDCBFR-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cn1 ZINC000994408132 696831603 /nfs/dbraw/zinc/83/16/03/696831603.db2.gz NFSLGNLIFDCBFR-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)ccn1 ZINC000994510147 696954094 /nfs/dbraw/zinc/95/40/94/696954094.db2.gz SGRKRFIUWCHPCQ-GOEBONIOSA-N 2 2 343.431 1.456 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)ccn1 ZINC000994510147 696954095 /nfs/dbraw/zinc/95/40/95/696954095.db2.gz SGRKRFIUWCHPCQ-GOEBONIOSA-N 2 2 343.431 1.456 20 0 EDADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001031415367 697066116 /nfs/dbraw/zinc/06/61/16/697066116.db2.gz UVMVWAWHVZTDQX-QZTJIDSGSA-N 2 2 331.460 1.659 20 0 EDADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001031415367 697066118 /nfs/dbraw/zinc/06/61/18/697066118.db2.gz UVMVWAWHVZTDQX-QZTJIDSGSA-N 2 2 331.460 1.659 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+]([C@H](C)c3ccccc3C)C2)C1 ZINC001031418199 697066718 /nfs/dbraw/zinc/06/67/18/697066718.db2.gz IQWIFFNAYGTWGR-QAPCUYQASA-N 2 2 331.460 1.577 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+]([C@H](C)c3ccccc3C)C2)C1 ZINC001031418199 697066720 /nfs/dbraw/zinc/06/67/20/697066720.db2.gz IQWIFFNAYGTWGR-QAPCUYQASA-N 2 2 331.460 1.577 20 0 EDADLP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031437521 697101197 /nfs/dbraw/zinc/10/11/97/697101197.db2.gz FOYQWFVKSIUCLR-KRWDZBQOSA-N 2 2 345.487 1.977 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031577726 697274035 /nfs/dbraw/zinc/27/40/35/697274035.db2.gz OZCHIFYHIGSVMA-WMLDXEAASA-N 2 2 344.459 1.156 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031577726 697274037 /nfs/dbraw/zinc/27/40/37/697274037.db2.gz OZCHIFYHIGSVMA-WMLDXEAASA-N 2 2 344.459 1.156 20 0 EDADLP C[C@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031594167 697291749 /nfs/dbraw/zinc/29/17/49/697291749.db2.gz VQKVTCLIBGKIMI-CXAGYDPISA-N 2 2 335.423 1.265 20 0 EDADLP C[C@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031594167 697291751 /nfs/dbraw/zinc/29/17/51/697291751.db2.gz VQKVTCLIBGKIMI-CXAGYDPISA-N 2 2 335.423 1.265 20 0 EDADLP Cc1csc(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001031675860 697488411 /nfs/dbraw/zinc/48/84/11/697488411.db2.gz UNMXBNZSXIOVIK-OAHLLOKOSA-N 2 2 334.489 1.341 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921488252 697621619 /nfs/dbraw/zinc/62/16/19/697621619.db2.gz OLXIKCUSHJCWDO-MRXNPFEDSA-N 2 2 343.431 1.387 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000921488252 697621620 /nfs/dbraw/zinc/62/16/20/697621620.db2.gz OLXIKCUSHJCWDO-MRXNPFEDSA-N 2 2 343.431 1.387 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031711999 697724172 /nfs/dbraw/zinc/72/41/72/697724172.db2.gz OKAYPHSFYKXCMA-KRWDZBQOSA-N 2 2 334.439 1.643 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031711999 697724173 /nfs/dbraw/zinc/72/41/73/697724173.db2.gz OKAYPHSFYKXCMA-KRWDZBQOSA-N 2 2 334.439 1.643 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001031713605 697733825 /nfs/dbraw/zinc/73/38/25/697733825.db2.gz CNKSQVSJUAFYGF-RHSMWYFYSA-N 2 2 331.464 1.460 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001031713605 697733830 /nfs/dbraw/zinc/73/38/30/697733830.db2.gz CNKSQVSJUAFYGF-RHSMWYFYSA-N 2 2 331.464 1.460 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)s1 ZINC000943178026 697874362 /nfs/dbraw/zinc/87/43/62/697874362.db2.gz QZOGCXKHWQXONU-IAQYHMDHSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)s1 ZINC000943178026 697874365 /nfs/dbraw/zinc/87/43/65/697874365.db2.gz QZOGCXKHWQXONU-IAQYHMDHSA-N 2 2 333.461 1.744 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccnn3C)C2)CC1 ZINC001032094040 698584975 /nfs/dbraw/zinc/58/49/75/698584975.db2.gz CGZXVIHLRIYPDR-UHFFFAOYSA-N 2 2 333.480 1.089 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767169 698823210 /nfs/dbraw/zinc/82/32/10/698823210.db2.gz RQAJEBAHAFFCFX-SWLSCSKDSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767169 698823214 /nfs/dbraw/zinc/82/32/14/698823214.db2.gz RQAJEBAHAFFCFX-SWLSCSKDSA-N 2 2 330.436 1.021 20 0 EDADLP C[C@H]1C[N@H+](CCF)CC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000943772565 698878764 /nfs/dbraw/zinc/87/87/64/698878764.db2.gz SVTPBGUTTQQGPO-XJKSGUPXSA-N 2 2 331.395 1.677 20 0 EDADLP C[C@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000943772565 698878769 /nfs/dbraw/zinc/87/87/69/698878769.db2.gz SVTPBGUTTQQGPO-XJKSGUPXSA-N 2 2 331.395 1.677 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118544 698991241 /nfs/dbraw/zinc/99/12/41/698991241.db2.gz JJPSFXNMMMJGJV-UHFFFAOYSA-N 2 2 348.516 1.813 20 0 EDADLP CCc1onc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154216 701556054 /nfs/dbraw/zinc/55/60/54/701556054.db2.gz RNOCAARHAISPDT-KGLIPLIRSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC000995157555 701564797 /nfs/dbraw/zinc/56/47/97/701564797.db2.gz ZIOAFPYWKRZCIP-CHWSQXEVSA-N 2 2 333.461 1.792 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772264 699098250 /nfs/dbraw/zinc/09/82/50/699098250.db2.gz FVWMPFPZQPPIGE-ZDUSSCGKSA-N 2 2 328.416 1.651 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772853 699104199 /nfs/dbraw/zinc/10/41/99/699104199.db2.gz LODRMDFTHQFEPS-HNNXBMFYSA-N 2 2 328.416 1.794 20 0 EDADLP O=C(NCC1C[NH+](CC2CCOCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031773359 699115916 /nfs/dbraw/zinc/11/59/16/699115916.db2.gz UGTVCRCDKIHGKT-UHFFFAOYSA-N 2 2 328.416 1.651 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995157052 701567953 /nfs/dbraw/zinc/56/79/53/701567953.db2.gz BLXBZDRRPULMIB-GXTWGEPZSA-N 2 2 340.418 1.882 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000995156981 701567983 /nfs/dbraw/zinc/56/79/83/701567983.db2.gz AOOJNRXAKKKWNQ-JKSUJKDBSA-N 2 2 334.464 1.264 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)ncn1 ZINC000995159895 701573704 /nfs/dbraw/zinc/57/37/04/701573704.db2.gz KRHLDQSFHVKPDL-CABCVRRESA-N 2 2 342.447 1.136 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031784813 699219725 /nfs/dbraw/zinc/21/97/25/699219725.db2.gz YEQHZJWAYPZQOD-HOTGVXAUSA-N 2 2 332.448 1.063 20 0 EDADLP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001031784925 699220314 /nfs/dbraw/zinc/22/03/14/699220314.db2.gz ZHUYLHIUEWHAKJ-MRXNPFEDSA-N 2 2 330.476 1.930 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939209775 699356580 /nfs/dbraw/zinc/35/65/80/699356580.db2.gz JBWXGFJFMQMKPV-BXUZGUMPSA-N 2 2 333.823 1.637 20 0 EDADLP O=C(NCC1C[NH+](Cc2cccc(Cl)n2)C1)C12CCC[NH+]1CCC2 ZINC001031813182 699486158 /nfs/dbraw/zinc/48/61/58/699486158.db2.gz OUAUHOUAGPIGIO-UHFFFAOYSA-N 2 2 348.878 1.911 20 0 EDADLP Cc1nc(C)c(C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC001031817113 699519018 /nfs/dbraw/zinc/51/90/18/699519018.db2.gz PYAIFGARWMGTJK-UHFFFAOYSA-N 2 2 339.399 1.801 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000939409290 699563632 /nfs/dbraw/zinc/56/36/32/699563632.db2.gz SFZQCRAGKIBBER-DZGCQCFKSA-N 2 2 342.447 1.050 20 0 EDADLP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939536251 699677339 /nfs/dbraw/zinc/67/73/39/699677339.db2.gz VAIMRMTUUJNKQT-CZUORRHYSA-N 2 2 343.431 1.003 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC000939536812 699677929 /nfs/dbraw/zinc/67/79/29/699677929.db2.gz XFNIDTFIFVZKKA-RHSMWYFYSA-N 2 2 344.463 1.377 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)n1 ZINC000939547206 699689202 /nfs/dbraw/zinc/68/92/02/699689202.db2.gz WRRXOPMIWWRVHP-UONOGXRCSA-N 2 2 347.463 1.054 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)o1 ZINC000939625779 699763628 /nfs/dbraw/zinc/76/36/28/699763628.db2.gz FAZUXKHKTXXNRA-MEBBXXQBSA-N 2 2 331.420 1.502 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)c(C)s1 ZINC000939626151 699764003 /nfs/dbraw/zinc/76/40/03/699764003.db2.gz HRZNRRPDGUFZKZ-QLJPJBMISA-N 2 2 347.488 1.971 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)n1 ZINC000939626593 699764169 /nfs/dbraw/zinc/76/41/69/699764169.db2.gz LCXQUMXQBZVBIP-YVEFUNNKSA-N 2 2 344.463 1.211 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)s1 ZINC000939640944 699770308 /nfs/dbraw/zinc/77/03/08/699770308.db2.gz BUKPLUIBPHSQOO-LRDDRELGSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC000939748846 699895834 /nfs/dbraw/zinc/89/58/34/699895834.db2.gz RTKYBEUNPKSVLV-TZMCWYRMSA-N 2 2 346.435 1.335 20 0 EDADLP CC1([NH2+]C[C@H]2CCCCO2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243272 700404378 /nfs/dbraw/zinc/40/43/78/700404378.db2.gz KCXHYGSPXPMUQN-MRXNPFEDSA-N 2 2 334.464 1.813 20 0 EDADLP Cc1conc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243601 700405175 /nfs/dbraw/zinc/40/51/75/700405175.db2.gz YSTKUXGEXWDFCP-UHFFFAOYSA-N 2 2 331.420 1.741 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C2)C1 ZINC001031876700 700412712 /nfs/dbraw/zinc/41/27/12/700412712.db2.gz YLLZJUMLVJGLJV-GXOAENINSA-N 2 2 349.519 1.581 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)[C@H]3COCC[N@H+]3CC3CCC3)C2)C1 ZINC001031876700 700412714 /nfs/dbraw/zinc/41/27/14/700412714.db2.gz YLLZJUMLVJGLJV-GXOAENINSA-N 2 2 349.519 1.581 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CCO1 ZINC000940393214 700570039 /nfs/dbraw/zinc/57/00/39/700570039.db2.gz YGUFUEHQPQGKSK-LSDHHAIUSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC000940426113 700619749 /nfs/dbraw/zinc/61/97/49/700619749.db2.gz FYOWILAVZHHWDE-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000940426319 700620117 /nfs/dbraw/zinc/62/01/17/700620117.db2.gz PXQOKKOZFPVQRC-DNVCBOLYSA-N 2 2 346.475 1.360 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1 ZINC000940444765 700646712 /nfs/dbraw/zinc/64/67/12/700646712.db2.gz AFSFTJLGOPUDTF-UHFFFAOYSA-N 2 2 348.476 1.375 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940444919 700646928 /nfs/dbraw/zinc/64/69/28/700646928.db2.gz JCZDIFBPUCGBGH-HNNXBMFYSA-N 2 2 334.464 1.360 20 0 EDADLP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482860 700670946 /nfs/dbraw/zinc/67/09/46/700670946.db2.gz WCAIJZOWZDJLMR-UHFFFAOYSA-N 2 2 331.420 1.604 20 0 EDADLP O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968494 701662920 /nfs/dbraw/zinc/66/29/20/701662920.db2.gz YTTCIORFJBNOGB-CYBMUJFWSA-N 2 2 338.402 1.923 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cscn2)CC1(C)C ZINC000940617489 700799438 /nfs/dbraw/zinc/79/94/38/700799438.db2.gz KTWNEGJBBBLFNK-LSDHHAIUSA-N 2 2 336.505 1.954 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cscn2)CC1(C)C ZINC000940617489 700799439 /nfs/dbraw/zinc/79/94/39/700799439.db2.gz KTWNEGJBBBLFNK-LSDHHAIUSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC000940617489 700799441 /nfs/dbraw/zinc/79/94/41/700799441.db2.gz KTWNEGJBBBLFNK-LSDHHAIUSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC000940617489 700799442 /nfs/dbraw/zinc/79/94/42/700799442.db2.gz KTWNEGJBBBLFNK-LSDHHAIUSA-N 2 2 336.505 1.954 20 0 EDADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765950 700886762 /nfs/dbraw/zinc/88/67/62/700886762.db2.gz ZWKPSGRTDGLKGT-GDBMZVCRSA-N 2 2 348.491 1.359 20 0 EDADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765950 700886763 /nfs/dbraw/zinc/88/67/63/700886763.db2.gz ZWKPSGRTDGLKGT-GDBMZVCRSA-N 2 2 348.491 1.359 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000995107886 700972232 /nfs/dbraw/zinc/97/22/32/700972232.db2.gz SLMWXHMEIJKSLC-KBPBESRZSA-N 2 2 328.420 1.125 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)sn1 ZINC000995112340 701011382 /nfs/dbraw/zinc/01/13/82/701011382.db2.gz CIGUYNKCPHPGPA-VXGBXAGGSA-N 2 2 349.460 1.492 20 0 EDADLP CCc1noc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995112531 701013433 /nfs/dbraw/zinc/01/34/33/701013433.db2.gz DNGSZBAYMKPSDQ-KBPBESRZSA-N 2 2 345.447 1.886 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)C1 ZINC001031920655 701057335 /nfs/dbraw/zinc/05/73/35/701057335.db2.gz PCBFNBPVBZHSSM-RJYAGPCLSA-N 2 2 349.519 1.724 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)C1 ZINC001031920655 701057336 /nfs/dbraw/zinc/05/73/36/701057336.db2.gz PCBFNBPVBZHSSM-RJYAGPCLSA-N 2 2 349.519 1.724 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@H+](CCF)CC1(C)C)C2 ZINC000941031898 701073362 /nfs/dbraw/zinc/07/33/62/701073362.db2.gz CUOBZWBGWDCKJX-HOCLYGCPSA-N 2 2 336.455 1.940 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCF)CC1(C)C)C2 ZINC000941031898 701073366 /nfs/dbraw/zinc/07/33/66/701073366.db2.gz CUOBZWBGWDCKJX-HOCLYGCPSA-N 2 2 336.455 1.940 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806138 701195640 /nfs/dbraw/zinc/19/56/40/701195640.db2.gz AZDULIUOVYLWDU-BLLLJJGKSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806138 701195642 /nfs/dbraw/zinc/19/56/42/701195642.db2.gz AZDULIUOVYLWDU-BLLLJJGKSA-N 2 2 347.488 1.983 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)sn1 ZINC000945808309 701199845 /nfs/dbraw/zinc/19/98/45/701199845.db2.gz OAPAYYZCVQLPLX-TZMCWYRMSA-N 2 2 349.460 1.375 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)sn1 ZINC000945808309 701199847 /nfs/dbraw/zinc/19/98/47/701199847.db2.gz OAPAYYZCVQLPLX-TZMCWYRMSA-N 2 2 349.460 1.375 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941158045 701221919 /nfs/dbraw/zinc/22/19/19/701221919.db2.gz JYSNJECIIQWAOL-CABCVRRESA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941158045 701221921 /nfs/dbraw/zinc/22/19/21/701221921.db2.gz JYSNJECIIQWAOL-CABCVRRESA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941158045 701221923 /nfs/dbraw/zinc/22/19/23/701221923.db2.gz JYSNJECIIQWAOL-CABCVRRESA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941158045 701221925 /nfs/dbraw/zinc/22/19/25/701221925.db2.gz JYSNJECIIQWAOL-CABCVRRESA-N 2 2 349.479 1.437 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164642 701230464 /nfs/dbraw/zinc/23/04/64/701230464.db2.gz WIXIRPAOZNMASZ-JKSUJKDBSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164642 701230466 /nfs/dbraw/zinc/23/04/66/701230466.db2.gz WIXIRPAOZNMASZ-JKSUJKDBSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164642 701230468 /nfs/dbraw/zinc/23/04/68/701230468.db2.gz WIXIRPAOZNMASZ-JKSUJKDBSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941164642 701230470 /nfs/dbraw/zinc/23/04/70/701230470.db2.gz WIXIRPAOZNMASZ-JKSUJKDBSA-N 2 2 347.507 1.479 20 0 EDADLP CC1(C)C[N@H+](Cc2nccs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941165991 701377076 /nfs/dbraw/zinc/37/70/76/701377076.db2.gz CMCLVYKGLHMTDW-CQSZACIVSA-N 2 2 348.516 1.956 20 0 EDADLP CC1(C)C[N@@H+](Cc2nccs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941165991 701377077 /nfs/dbraw/zinc/37/70/77/701377077.db2.gz CMCLVYKGLHMTDW-CQSZACIVSA-N 2 2 348.516 1.956 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)CC1(C)C ZINC000941224742 701414934 /nfs/dbraw/zinc/41/49/34/701414934.db2.gz YIBDNFKLDRJGQC-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)CC1(C)C ZINC000941224742 701414936 /nfs/dbraw/zinc/41/49/36/701414936.db2.gz YIBDNFKLDRJGQC-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP CC1(C)C[N@H+](CC2CCOCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247200 701423881 /nfs/dbraw/zinc/42/38/81/701423881.db2.gz FWXRKLKHMMVNOX-MRXNPFEDSA-N 2 2 334.464 1.526 20 0 EDADLP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247200 701423883 /nfs/dbraw/zinc/42/38/83/701423883.db2.gz FWXRKLKHMMVNOX-MRXNPFEDSA-N 2 2 334.464 1.526 20 0 EDADLP CC1(C)C[N@H+](C[C@H]2CCCCO2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247169 701423933 /nfs/dbraw/zinc/42/39/33/701423933.db2.gz FFCXKUXCFMZWJE-CVEARBPZSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)C[N@@H+](C[C@H]2CCCCO2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247169 701423934 /nfs/dbraw/zinc/42/39/34/701423934.db2.gz FFCXKUXCFMZWJE-CVEARBPZSA-N 2 2 334.464 1.669 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001032201505 701867848 /nfs/dbraw/zinc/86/78/48/701867848.db2.gz GIVXXSGWOHONFA-AIADIJKESA-N 2 2 343.471 1.469 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001032201505 701867855 /nfs/dbraw/zinc/86/78/55/701867855.db2.gz GIVXXSGWOHONFA-AIADIJKESA-N 2 2 343.471 1.469 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@@H]1C ZINC000944443041 702026485 /nfs/dbraw/zinc/02/64/85/702026485.db2.gz FMCBAZWUDOIDKR-WFASDCNBSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@@H]1C ZINC000944443041 702026491 /nfs/dbraw/zinc/02/64/91/702026491.db2.gz FMCBAZWUDOIDKR-WFASDCNBSA-N 2 2 330.436 1.021 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031977799 702037527 /nfs/dbraw/zinc/03/75/27/702037527.db2.gz IRAYWUYNEZVWKZ-IUODEOHRSA-N 2 2 336.867 1.481 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031977799 702037534 /nfs/dbraw/zinc/03/75/34/702037534.db2.gz IRAYWUYNEZVWKZ-IUODEOHRSA-N 2 2 336.867 1.481 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cnsn1 ZINC000995822332 702091494 /nfs/dbraw/zinc/09/14/94/702091494.db2.gz KDATYVRAGKZVGK-HUUCEWRRSA-N 2 2 349.504 1.207 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC000995183725 702113636 /nfs/dbraw/zinc/11/36/36/702113636.db2.gz KXUPMZCEMTYYPY-UONOGXRCSA-N 2 2 330.436 1.069 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001032206363 702145159 /nfs/dbraw/zinc/14/51/59/702145159.db2.gz YFYFEPNWQMGWJX-GOSISDBHSA-N 2 2 346.475 1.974 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001032206363 702145164 /nfs/dbraw/zinc/14/51/64/702145164.db2.gz YFYFEPNWQMGWJX-GOSISDBHSA-N 2 2 346.475 1.974 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)on1 ZINC000995187875 702203947 /nfs/dbraw/zinc/20/39/47/702203947.db2.gz UMYSRHBSGDNJAI-KGLIPLIRSA-N 2 2 331.420 1.632 20 0 EDADLP C[N@H+](CC(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1)C1CCC1 ZINC000995916515 702277635 /nfs/dbraw/zinc/27/76/35/702277635.db2.gz IVEDXIOUWSONPU-AWEZNQCLSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@@H+](CC(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1)C1CCC1 ZINC000995916515 702277637 /nfs/dbraw/zinc/27/76/37/702277637.db2.gz IVEDXIOUWSONPU-AWEZNQCLSA-N 2 2 337.493 1.349 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)o1 ZINC000999206474 706659807 /nfs/dbraw/zinc/65/98/07/706659807.db2.gz IVFMTQBAJDBEBB-SOUVJXGZSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)o1 ZINC000999206474 706659810 /nfs/dbraw/zinc/65/98/10/706659810.db2.gz IVFMTQBAJDBEBB-SOUVJXGZSA-N 2 2 349.479 1.443 20 0 EDADLP CC1(C)CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000996037052 702422797 /nfs/dbraw/zinc/42/27/97/702422797.db2.gz BUGCTJRUJMVZKF-GDBMZVCRSA-N 2 2 342.443 1.811 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)ncn1 ZINC000996105266 702565446 /nfs/dbraw/zinc/56/54/46/702565446.db2.gz HNOUDNSHVNEVHX-MRXNPFEDSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nncs2)C1 ZINC000995209507 702675369 /nfs/dbraw/zinc/67/53/69/702675369.db2.gz KGPVOXOAKBTEOJ-OLZOCXBDSA-N 2 2 334.449 1.118 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2(C)C)n1 ZINC000996310320 702699842 /nfs/dbraw/zinc/69/98/42/702699842.db2.gz LXQTWGOPFOTSSY-CQSZACIVSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2(C)C)n1 ZINC000996310320 702699844 /nfs/dbraw/zinc/69/98/44/702699844.db2.gz LXQTWGOPFOTSSY-CQSZACIVSA-N 2 2 349.479 1.437 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000996354474 702732435 /nfs/dbraw/zinc/73/24/35/702732435.db2.gz ILTJJCYZBWOFJW-SJORKVTESA-N 2 2 348.491 1.720 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996355815 702733486 /nfs/dbraw/zinc/73/34/86/702733486.db2.gz NVBUGFJGOGWPER-HNNXBMFYSA-N 2 2 328.420 1.077 20 0 EDADLP COc1ncccc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996356225 702733803 /nfs/dbraw/zinc/73/38/03/702733803.db2.gz QTNLBKWQEVVUNH-HNNXBMFYSA-N 2 2 343.431 1.383 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)n1 ZINC000996357595 702734527 /nfs/dbraw/zinc/73/45/27/702734527.db2.gz YZLCKCVVAGQFMJ-INIZCTEOSA-N 2 2 344.463 1.292 20 0 EDADLP CC1(C)CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1[NH2+]CCF ZINC000996374472 702741043 /nfs/dbraw/zinc/74/10/43/702741043.db2.gz KBCDIGJLFYQYFL-OAHLLOKOSA-N 2 2 341.471 1.428 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996385884 702749848 /nfs/dbraw/zinc/74/98/48/702749848.db2.gz LXPLKXUPUDUAEJ-HNNXBMFYSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)cn1 ZINC000996458975 702803653 /nfs/dbraw/zinc/80/36/53/702803653.db2.gz YMOIURFXWSTISC-AWEZNQCLSA-N 2 2 328.420 1.077 20 0 EDADLP CC1(C)CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1[NH2+]CCO ZINC000996475561 702807808 /nfs/dbraw/zinc/80/78/08/702807808.db2.gz LNOOCJQYMRKQRU-INIZCTEOSA-N 2 2 328.416 1.305 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)C(C)(C)C1 ZINC000996515323 702850866 /nfs/dbraw/zinc/85/08/66/702850866.db2.gz QKGVUEXGMBTOLK-HZPDHXFCSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC2(C)C)on1 ZINC000996568076 702880097 /nfs/dbraw/zinc/88/00/97/702880097.db2.gz BEPHRBSULRIHKK-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP Cn1cncc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996570778 702883143 /nfs/dbraw/zinc/88/31/43/702883143.db2.gz XUBPVGZONMUIPV-INIZCTEOSA-N 2 2 344.463 1.113 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995241914 702898359 /nfs/dbraw/zinc/89/83/59/702898359.db2.gz GAEYWBCMBOJXIL-QWHCGFSZSA-N 2 2 334.449 1.118 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)oc1C ZINC000996621418 702927376 /nfs/dbraw/zinc/92/73/76/702927376.db2.gz LKNFHHZVOVRDQT-OAHLLOKOSA-N 2 2 345.447 1.823 20 0 EDADLP CCn1cc(CC[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000996652882 702942389 /nfs/dbraw/zinc/94/23/89/702942389.db2.gz WPBZMKTYZKDCAX-UHFFFAOYSA-N 2 2 344.463 1.382 20 0 EDADLP CCn1cc(CC[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000996652882 702942391 /nfs/dbraw/zinc/94/23/91/702942391.db2.gz WPBZMKTYZKDCAX-UHFFFAOYSA-N 2 2 344.463 1.382 20 0 EDADLP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000996680730 702979207 /nfs/dbraw/zinc/97/92/07/702979207.db2.gz URDMECSZOJINSL-OAHLLOKOSA-N 2 2 344.419 1.233 20 0 EDADLP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996712567 703007540 /nfs/dbraw/zinc/00/75/40/703007540.db2.gz FWNSUCBYWPAECR-MRXNPFEDSA-N 2 2 327.432 1.613 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]CCn3cccn3)CC2)c[nH+]1 ZINC000996721894 703017219 /nfs/dbraw/zinc/01/72/19/703017219.db2.gz NDNAZEZWKIAAKA-UHFFFAOYSA-N 2 2 344.463 1.404 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C[C@@H]1C ZINC000942518556 703019842 /nfs/dbraw/zinc/01/98/42/703019842.db2.gz TXZOZYOVLYTFOK-BLLLJJGKSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C[C@@H]1C ZINC000942518556 703019845 /nfs/dbraw/zinc/01/98/45/703019845.db2.gz TXZOZYOVLYTFOK-BLLLJJGKSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2snnc2C)C[C@@H]1C ZINC000942518603 703019974 /nfs/dbraw/zinc/01/99/74/703019974.db2.gz UHIKBSQXLWIICV-SMDDNHRTSA-N 2 2 348.476 1.378 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2snnc2C)C[C@@H]1C ZINC000942518603 703019975 /nfs/dbraw/zinc/01/99/75/703019975.db2.gz UHIKBSQXLWIICV-SMDDNHRTSA-N 2 2 348.476 1.378 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)C[C@@H]1C ZINC000942519037 703020902 /nfs/dbraw/zinc/02/09/02/703020902.db2.gz YQHRWZOSETUMGX-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)C[C@@H]1C ZINC000942519037 703020905 /nfs/dbraw/zinc/02/09/05/703020905.db2.gz YQHRWZOSETUMGX-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996735317 703032052 /nfs/dbraw/zinc/03/20/52/703032052.db2.gz BJTBUTQAZXLDPY-HOTGVXAUSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996755611 703044526 /nfs/dbraw/zinc/04/45/26/703044526.db2.gz HQORVVUXBCSIGL-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP CCn1nncc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032027000 703046489 /nfs/dbraw/zinc/04/64/89/703046489.db2.gz LRCGDYCUTRGMCE-QGZVFWFLSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1nncc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027000 703046492 /nfs/dbraw/zinc/04/64/92/703046492.db2.gz LRCGDYCUTRGMCE-QGZVFWFLSA-N 2 2 348.495 1.109 20 0 EDADLP C[C@H]1C[N@H+](Cc2nncn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555044 703068049 /nfs/dbraw/zinc/06/80/49/703068049.db2.gz CQVJDKMSNHZXAO-GJZGRUSLSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555044 703068050 /nfs/dbraw/zinc/06/80/50/703068050.db2.gz CQVJDKMSNHZXAO-GJZGRUSLSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555876 703069831 /nfs/dbraw/zinc/06/98/31/703069831.db2.gz RBVGGRMWCJAWBS-GJZGRUSLSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555876 703069835 /nfs/dbraw/zinc/06/98/35/703069835.db2.gz RBVGGRMWCJAWBS-GJZGRUSLSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942596897 703111616 /nfs/dbraw/zinc/11/16/16/703111616.db2.gz HSCSALAQOAGQNA-WFASDCNBSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942596897 703111619 /nfs/dbraw/zinc/11/16/19/703111619.db2.gz HSCSALAQOAGQNA-WFASDCNBSA-N 2 2 335.452 1.046 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000996835218 703122936 /nfs/dbraw/zinc/12/29/36/703122936.db2.gz QHWBMDCAMHTKKW-HNAYVOBHSA-N 2 2 346.475 1.360 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)cn1 ZINC001032042331 703197970 /nfs/dbraw/zinc/19/79/70/703197970.db2.gz AJJRNHVAVOMOAY-ZWKOTPCHSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)cn1 ZINC001032042331 703197973 /nfs/dbraw/zinc/19/79/73/703197973.db2.gz AJJRNHVAVOMOAY-ZWKOTPCHSA-N 2 2 343.475 1.350 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000997016499 703275039 /nfs/dbraw/zinc/27/50/39/703275039.db2.gz LTBNXTAICBVSQZ-IAGOWNOFSA-N 2 2 339.443 1.699 20 0 EDADLP COCc1nc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cs1 ZINC000997042520 703292578 /nfs/dbraw/zinc/29/25/78/703292578.db2.gz QBXBEUCRMGVPCE-UHFFFAOYSA-N 2 2 349.460 1.336 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)o1 ZINC000997045819 703294762 /nfs/dbraw/zinc/29/47/62/703294762.db2.gz NPFFYKZKQJCDBW-CYBMUJFWSA-N 2 2 331.420 1.911 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1)n1cc[nH+]c1 ZINC000997047416 703301189 /nfs/dbraw/zinc/30/11/89/703301189.db2.gz WXTICMWUHFUUQW-AWEZNQCLSA-N 2 2 330.436 1.349 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]CC2CCCC2)CC1)[NH+]1CCOCC1 ZINC000997094868 703334038 /nfs/dbraw/zinc/33/40/38/703334038.db2.gz UOXDHOOLDNCSLI-UHFFFAOYSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)co1 ZINC000997181793 703466570 /nfs/dbraw/zinc/46/65/70/703466570.db2.gz FBMVSUNRDSQKPD-UHFFFAOYSA-N 2 2 331.420 1.765 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1)c1nncn1C ZINC000997184481 703473129 /nfs/dbraw/zinc/47/31/29/703473129.db2.gz YSGXDARBWBKJFC-LBPRGKRZSA-N 2 2 345.451 1.158 20 0 EDADLP COc1ccnc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)c1 ZINC000997210414 703510104 /nfs/dbraw/zinc/51/01/04/703510104.db2.gz JNOZYBTXNAGEFA-UHFFFAOYSA-N 2 2 343.431 1.445 20 0 EDADLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)cc1 ZINC001032444693 703622309 /nfs/dbraw/zinc/62/23/09/703622309.db2.gz JIZARGWMXNQQDV-LNLFQRSKSA-N 2 2 343.471 1.821 20 0 EDADLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)cc1 ZINC001032444693 703622310 /nfs/dbraw/zinc/62/23/10/703622310.db2.gz JIZARGWMXNQQDV-LNLFQRSKSA-N 2 2 343.471 1.821 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)c(C)n1 ZINC001032444809 703622538 /nfs/dbraw/zinc/62/25/38/703622538.db2.gz NLARLWJJBZFQHQ-GBESFXJTSA-N 2 2 342.487 1.824 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)c(C)n1 ZINC001032444809 703622539 /nfs/dbraw/zinc/62/25/39/703622539.db2.gz NLARLWJJBZFQHQ-GBESFXJTSA-N 2 2 342.487 1.824 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997434311 703664621 /nfs/dbraw/zinc/66/46/21/703664621.db2.gz KYZJICJVQYDKTA-RHSMWYFYSA-N 2 2 349.479 1.661 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997434311 703664622 /nfs/dbraw/zinc/66/46/22/703664622.db2.gz KYZJICJVQYDKTA-RHSMWYFYSA-N 2 2 349.479 1.661 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000997412596 703668158 /nfs/dbraw/zinc/66/81/58/703668158.db2.gz HFJFDQJLIGWKHK-UHFFFAOYSA-N 2 2 339.399 1.805 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000997413868 703668524 /nfs/dbraw/zinc/66/85/24/703668524.db2.gz RRLJSMIDDIHREM-UHFFFAOYSA-N 2 2 334.370 1.942 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000997416527 703669181 /nfs/dbraw/zinc/66/91/81/703669181.db2.gz KZTGROCBHFDGKD-UHFFFAOYSA-N 2 2 346.460 1.393 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)cc1)[NH+](C)C ZINC001032474546 703694637 /nfs/dbraw/zinc/69/46/37/703694637.db2.gz CUFZEQUIKQWNLQ-XYJFISCASA-N 2 2 331.460 1.821 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)cc1)[NH+](C)C ZINC001032474546 703694639 /nfs/dbraw/zinc/69/46/39/703694639.db2.gz CUFZEQUIKQWNLQ-XYJFISCASA-N 2 2 331.460 1.821 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CCC1CC1)C2 ZINC001032485273 703739977 /nfs/dbraw/zinc/73/99/77/703739977.db2.gz ILHBUIPWTMOCMF-JYJNAYRXSA-N 2 2 328.460 1.908 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CCC1CC1)C2 ZINC001032485273 703739978 /nfs/dbraw/zinc/73/99/78/703739978.db2.gz ILHBUIPWTMOCMF-JYJNAYRXSA-N 2 2 328.460 1.908 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[N@@H+]3CCC1CC1)CC2 ZINC001032485273 703739979 /nfs/dbraw/zinc/73/99/79/703739979.db2.gz ILHBUIPWTMOCMF-JYJNAYRXSA-N 2 2 328.460 1.908 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[N@H+]3CCC1CC1)CC2 ZINC001032485273 703739980 /nfs/dbraw/zinc/73/99/80/703739980.db2.gz ILHBUIPWTMOCMF-JYJNAYRXSA-N 2 2 328.460 1.908 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC001061431123 703982085 /nfs/dbraw/zinc/98/20/85/703982085.db2.gz VQEWWPCMKXMTLV-IRXDYDNUSA-N 2 2 345.491 1.971 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC001061431123 703982090 /nfs/dbraw/zinc/98/20/90/703982090.db2.gz VQEWWPCMKXMTLV-IRXDYDNUSA-N 2 2 345.491 1.971 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082169 704137986 /nfs/dbraw/zinc/13/79/86/704137986.db2.gz OTPUCMLSTRFPGP-CVEARBPZSA-N 2 2 332.448 1.358 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082169 704137987 /nfs/dbraw/zinc/13/79/87/704137987.db2.gz OTPUCMLSTRFPGP-CVEARBPZSA-N 2 2 332.448 1.358 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033082829 704140265 /nfs/dbraw/zinc/14/02/65/704140265.db2.gz SWOUXNPLQHAUQZ-ZWKOTPCHSA-N 2 2 345.491 1.278 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033082829 704140267 /nfs/dbraw/zinc/14/02/67/704140267.db2.gz SWOUXNPLQHAUQZ-ZWKOTPCHSA-N 2 2 345.491 1.278 20 0 EDADLP CO[C@]1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCS(=O)(=O)C1 ZINC000922616442 704142127 /nfs/dbraw/zinc/14/21/27/704142127.db2.gz XDZLONJOVNAACO-INIZCTEOSA-N 2 2 335.429 1.166 20 0 EDADLP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033097883 704196608 /nfs/dbraw/zinc/19/66/08/704196608.db2.gz XZXHCGFCXNVVQN-HOCLYGCPSA-N 2 2 334.464 1.330 20 0 EDADLP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033097883 704196610 /nfs/dbraw/zinc/19/66/10/704196610.db2.gz XZXHCGFCXNVVQN-HOCLYGCPSA-N 2 2 334.464 1.330 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC001061472410 704218380 /nfs/dbraw/zinc/21/83/80/704218380.db2.gz YLDKPKXYYRIMFI-DJIMGWMZSA-N 2 2 345.491 1.827 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC001061472410 704218382 /nfs/dbraw/zinc/21/83/82/704218382.db2.gz YLDKPKXYYRIMFI-DJIMGWMZSA-N 2 2 345.491 1.827 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3F)C(C)(C)C2)C1 ZINC000995604292 704567817 /nfs/dbraw/zinc/56/78/17/704567817.db2.gz LNXSDINTVZXQLY-IRXDYDNUSA-N 2 2 349.450 1.483 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3F)C(C)(C)C2)C1 ZINC000995604292 704567819 /nfs/dbraw/zinc/56/78/19/704567819.db2.gz LNXSDINTVZXQLY-IRXDYDNUSA-N 2 2 349.450 1.483 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)oc1C ZINC000998116451 705371424 /nfs/dbraw/zinc/37/14/24/705371424.db2.gz SQAMTWLKVJWFNH-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1)n1cc[nH+]c1 ZINC000998127095 705389547 /nfs/dbraw/zinc/38/95/47/705389547.db2.gz PZHPHXQERYLCTM-ZDUSSCGKSA-N 2 2 348.476 1.714 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000998175386 705470776 /nfs/dbraw/zinc/47/07/76/705470776.db2.gz CJBZZFGXRBTCQZ-INIZCTEOSA-N 2 2 347.463 1.368 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000998175386 705470780 /nfs/dbraw/zinc/47/07/80/705470780.db2.gz CJBZZFGXRBTCQZ-INIZCTEOSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998244889 705591584 /nfs/dbraw/zinc/59/15/84/705591584.db2.gz QDXBIZZWDDVFIZ-INIZCTEOSA-N 2 2 334.464 1.658 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1)c1cnccn1 ZINC000998296260 705697990 /nfs/dbraw/zinc/69/79/90/705697990.db2.gz BKCFIJBPPMVCJA-AWEZNQCLSA-N 2 2 328.420 1.263 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000998535694 705969228 /nfs/dbraw/zinc/96/92/28/705969228.db2.gz OPGXPXGNQINSFY-JXQTWKCFSA-N 2 2 333.436 1.120 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000998535694 705969231 /nfs/dbraw/zinc/96/92/31/705969231.db2.gz OPGXPXGNQINSFY-JXQTWKCFSA-N 2 2 333.436 1.120 20 0 EDADLP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999035518 706450499 /nfs/dbraw/zinc/45/04/99/706450499.db2.gz ODTLSSJSVYUOTR-OAHLLOKOSA-N 2 2 343.431 1.527 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999126412 706550682 /nfs/dbraw/zinc/55/06/82/706550682.db2.gz MVXXWSNNFZRWEZ-UHFFFAOYSA-N 2 2 343.431 1.836 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC000999362459 706876163 /nfs/dbraw/zinc/87/61/63/706876163.db2.gz AVXRVHJGORDTTB-CYBMUJFWSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC000999362459 706876166 /nfs/dbraw/zinc/87/61/66/706876166.db2.gz AVXRVHJGORDTTB-CYBMUJFWSA-N 2 2 335.452 1.197 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999368329 706882360 /nfs/dbraw/zinc/88/23/60/706882360.db2.gz HIYDBFKRVDZJDN-HUUCEWRRSA-N 2 2 340.431 1.331 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000999400223 706895036 /nfs/dbraw/zinc/89/50/36/706895036.db2.gz JVXKCAGXUSUBJB-LSDHHAIUSA-N 2 2 349.479 1.587 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000999400223 706895039 /nfs/dbraw/zinc/89/50/39/706895039.db2.gz JVXKCAGXUSUBJB-LSDHHAIUSA-N 2 2 349.479 1.587 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CC([NH2+]CCn2cccn2)C1 ZINC000999386432 706899734 /nfs/dbraw/zinc/89/97/34/706899734.db2.gz YBBZZXJJTPAOMV-YMAMQOFZSA-N 2 2 342.447 1.305 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)no1 ZINC000999405823 706915135 /nfs/dbraw/zinc/91/51/35/706915135.db2.gz JUPSVJJGWQGDJH-HSBZDZAISA-N 2 2 335.452 1.195 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)no1 ZINC000999405823 706915136 /nfs/dbraw/zinc/91/51/36/706915136.db2.gz JUPSVJJGWQGDJH-HSBZDZAISA-N 2 2 335.452 1.195 20 0 EDADLP Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000999413721 706923441 /nfs/dbraw/zinc/92/34/41/706923441.db2.gz UBKUAZPPNLRZST-BZUAXINKSA-N 2 2 342.447 1.070 20 0 EDADLP Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)cn1 ZINC000999413721 706923444 /nfs/dbraw/zinc/92/34/44/706923444.db2.gz UBKUAZPPNLRZST-BZUAXINKSA-N 2 2 342.447 1.070 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000999504740 707001980 /nfs/dbraw/zinc/00/19/80/707001980.db2.gz RUKJQTVSIPWKJA-DZGCQCFKSA-N 2 2 328.416 1.794 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000999537739 707038353 /nfs/dbraw/zinc/03/83/53/707038353.db2.gz UEPVFHDBMBQLSD-UONOGXRCSA-N 2 2 345.472 1.683 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999707226 707298330 /nfs/dbraw/zinc/29/83/30/707298330.db2.gz MLUGTEHFXUYJQQ-ZDUSSCGKSA-N 2 2 342.428 1.580 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999775176 707334369 /nfs/dbraw/zinc/33/43/69/707334369.db2.gz KOKWZIGWYLQLQG-ZDUSSCGKSA-N 2 2 348.476 1.293 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)sn1 ZINC000999778122 707338526 /nfs/dbraw/zinc/33/85/26/707338526.db2.gz VFMVNAOCHFYCMX-AWEZNQCLSA-N 2 2 347.488 1.898 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3F)C2)O1 ZINC001033185804 707374472 /nfs/dbraw/zinc/37/44/72/707374472.db2.gz QOHVKUPPQLIYKB-QGPMSJSTSA-N 2 2 349.450 1.578 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3F)C2)O1 ZINC001033185804 707374476 /nfs/dbraw/zinc/37/44/76/707374476.db2.gz QOHVKUPPQLIYKB-QGPMSJSTSA-N 2 2 349.450 1.578 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3F)C2)O1 ZINC001033185804 707374479 /nfs/dbraw/zinc/37/44/79/707374479.db2.gz QOHVKUPPQLIYKB-QGPMSJSTSA-N 2 2 349.450 1.578 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3F)C2)O1 ZINC001033185804 707374485 /nfs/dbraw/zinc/37/44/85/707374485.db2.gz QOHVKUPPQLIYKB-QGPMSJSTSA-N 2 2 349.450 1.578 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297333 707412782 /nfs/dbraw/zinc/41/27/82/707412782.db2.gz LROOLSJSJVMKHU-MSOLQXFVSA-N 2 2 337.508 1.676 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297333 707412784 /nfs/dbraw/zinc/41/27/84/707412784.db2.gz LROOLSJSJVMKHU-MSOLQXFVSA-N 2 2 337.508 1.676 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297333 707412786 /nfs/dbraw/zinc/41/27/86/707412786.db2.gz LROOLSJSJVMKHU-MSOLQXFVSA-N 2 2 337.508 1.676 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001033297333 707412788 /nfs/dbraw/zinc/41/27/88/707412788.db2.gz LROOLSJSJVMKHU-MSOLQXFVSA-N 2 2 337.508 1.676 20 0 EDADLP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197583 707416706 /nfs/dbraw/zinc/41/67/06/707416706.db2.gz IOSXFSCVMOVUTK-HZPDHXFCSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nnc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033197583 707416707 /nfs/dbraw/zinc/41/67/07/707416707.db2.gz IOSXFSCVMOVUTK-HZPDHXFCSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033197583 707416708 /nfs/dbraw/zinc/41/67/08/707416708.db2.gz IOSXFSCVMOVUTK-HZPDHXFCSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033197583 707416709 /nfs/dbraw/zinc/41/67/09/707416709.db2.gz IOSXFSCVMOVUTK-HZPDHXFCSA-N 2 2 348.495 1.123 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2CC1 ZINC000946797841 707425327 /nfs/dbraw/zinc/42/53/27/707425327.db2.gz LHWTVFLSVYJCFZ-YESZJQIVSA-N 2 2 346.475 1.549 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2CC1 ZINC000946797841 707425329 /nfs/dbraw/zinc/42/53/29/707425329.db2.gz LHWTVFLSVYJCFZ-YESZJQIVSA-N 2 2 346.475 1.549 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999886461 707475958 /nfs/dbraw/zinc/47/59/58/707475958.db2.gz WLNBHQVBYYCHAL-UKRRQHHQSA-N 2 2 349.479 1.894 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccon1 ZINC001004894095 707575889 /nfs/dbraw/zinc/57/58/89/707575889.db2.gz FFOLGQMLUHQAQR-ZBFHGGJFSA-N 2 2 331.420 1.739 20 0 EDADLP C[C@@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004919875 707627683 /nfs/dbraw/zinc/62/76/83/707627683.db2.gz MNPWPUDKNXDPIY-HZPDHXFCSA-N 2 2 344.463 1.566 20 0 EDADLP Cc1cc(NC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)nc(C)[nH+]1 ZINC001060895788 707669103 /nfs/dbraw/zinc/66/91/03/707669103.db2.gz LOVNZXTVPOJKQV-INIZCTEOSA-N 2 2 347.463 1.076 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccnc3)C2)C1 ZINC001033358573 707682286 /nfs/dbraw/zinc/68/22/86/707682286.db2.gz QMTKCBHOJSFKHZ-MSOLQXFVSA-N 2 2 346.475 1.224 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033398022 707737737 /nfs/dbraw/zinc/73/77/37/707737737.db2.gz UWPPRPKCFLQLCO-CQSZACIVSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033398022 707737742 /nfs/dbraw/zinc/73/77/42/707737742.db2.gz UWPPRPKCFLQLCO-CQSZACIVSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001004966239 707761191 /nfs/dbraw/zinc/76/11/91/707761191.db2.gz OTECDQZGMFVNRJ-HOCLYGCPSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004963933 707791143 /nfs/dbraw/zinc/79/11/43/707791143.db2.gz GTKLFXDSVCGGDV-GOEBONIOSA-N 2 2 344.463 1.554 20 0 EDADLP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)no1 ZINC001004972844 707800214 /nfs/dbraw/zinc/80/02/14/707800214.db2.gz BDNYHJPRTQOYQP-PBHICJAKSA-N 2 2 345.447 1.818 20 0 EDADLP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC001032753059 707821877 /nfs/dbraw/zinc/82/18/77/707821877.db2.gz BXWNCQBLIXTPHS-HOTGVXAUSA-N 2 2 342.447 1.005 20 0 EDADLP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2[nH]c[nH+]c2C)cn1 ZINC001032753059 707821880 /nfs/dbraw/zinc/82/18/80/707821880.db2.gz BXWNCQBLIXTPHS-HOTGVXAUSA-N 2 2 342.447 1.005 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033422911 707838060 /nfs/dbraw/zinc/83/80/60/707838060.db2.gz KJKPRFKRSMYEBL-OCCSQVGLSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001033422911 707838063 /nfs/dbraw/zinc/83/80/63/707838063.db2.gz KJKPRFKRSMYEBL-OCCSQVGLSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033422911 707838066 /nfs/dbraw/zinc/83/80/66/707838066.db2.gz KJKPRFKRSMYEBL-OCCSQVGLSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001033422911 707838068 /nfs/dbraw/zinc/83/80/68/707838068.db2.gz KJKPRFKRSMYEBL-OCCSQVGLSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)nn1C ZINC001033425877 707846440 /nfs/dbraw/zinc/84/64/40/707846440.db2.gz LHGMLBPZMACXIZ-QGZVFWFLSA-N 2 2 347.507 1.493 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)nn1C ZINC001033425877 707846442 /nfs/dbraw/zinc/84/64/42/707846442.db2.gz LHGMLBPZMACXIZ-QGZVFWFLSA-N 2 2 347.507 1.493 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1C ZINC001033425877 707846444 /nfs/dbraw/zinc/84/64/44/707846444.db2.gz LHGMLBPZMACXIZ-QGZVFWFLSA-N 2 2 347.507 1.493 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1C ZINC001033425877 707846446 /nfs/dbraw/zinc/84/64/46/707846446.db2.gz LHGMLBPZMACXIZ-QGZVFWFLSA-N 2 2 347.507 1.493 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1 ZINC001032759359 707867905 /nfs/dbraw/zinc/86/79/05/707867905.db2.gz JJVQUZWFJJILFQ-OALUTQOASA-N 2 2 338.455 1.881 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1 ZINC001032759359 707867908 /nfs/dbraw/zinc/86/79/08/707867908.db2.gz JJVQUZWFJJILFQ-OALUTQOASA-N 2 2 338.455 1.881 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC001033458185 707908800 /nfs/dbraw/zinc/90/88/00/707908800.db2.gz OKNYSZLUIHZWRI-INIZCTEOSA-N 2 2 346.406 1.703 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC001033458185 707908804 /nfs/dbraw/zinc/90/88/04/707908804.db2.gz OKNYSZLUIHZWRI-INIZCTEOSA-N 2 2 346.406 1.703 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001005185016 708111986 /nfs/dbraw/zinc/11/19/86/708111986.db2.gz OSSYWYIOLLTLHQ-GOSISDBHSA-N 2 2 345.491 1.346 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001005185016 708111987 /nfs/dbraw/zinc/11/19/87/708111987.db2.gz OSSYWYIOLLTLHQ-GOSISDBHSA-N 2 2 345.491 1.346 20 0 EDADLP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3cncs3)C2)CC1 ZINC001033533315 708156735 /nfs/dbraw/zinc/15/67/35/708156735.db2.gz ZJPIKVCLDAGMRM-OAHLLOKOSA-N 2 2 336.505 1.908 20 0 EDADLP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncs3)C2)CC1 ZINC001033533315 708156736 /nfs/dbraw/zinc/15/67/36/708156736.db2.gz ZJPIKVCLDAGMRM-OAHLLOKOSA-N 2 2 336.505 1.908 20 0 EDADLP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3cncn3C)C2)CC1 ZINC001033534479 708171242 /nfs/dbraw/zinc/17/12/42/708171242.db2.gz PVFNKVXLVIZGBE-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001033534479 708171245 /nfs/dbraw/zinc/17/12/45/708171245.db2.gz PVFNKVXLVIZGBE-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033578285 708255287 /nfs/dbraw/zinc/25/52/87/708255287.db2.gz HQRYZBOISCKLFG-HNNXBMFYSA-N 2 2 329.404 1.060 20 0 EDADLP COCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033578285 708255290 /nfs/dbraw/zinc/25/52/90/708255290.db2.gz HQRYZBOISCKLFG-HNNXBMFYSA-N 2 2 329.404 1.060 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1)C1CCC1 ZINC001033596266 708301150 /nfs/dbraw/zinc/30/11/50/708301150.db2.gz XLODNRVEUKGTBN-RDJZCZTQSA-N 2 2 334.464 1.310 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1)C1CCC1 ZINC001033596266 708301154 /nfs/dbraw/zinc/30/11/54/708301154.db2.gz XLODNRVEUKGTBN-RDJZCZTQSA-N 2 2 334.464 1.310 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033616596 708342583 /nfs/dbraw/zinc/34/25/83/708342583.db2.gz JMXMGWITKSYVAT-JSGCOSHPSA-N 2 2 342.390 1.218 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033616596 708342587 /nfs/dbraw/zinc/34/25/87/708342587.db2.gz JMXMGWITKSYVAT-JSGCOSHPSA-N 2 2 342.390 1.218 20 0 EDADLP Cc1ccc(OCC[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001033706024 708536349 /nfs/dbraw/zinc/53/63/49/708536349.db2.gz LRDDYSOXNMRVFJ-KRWDZBQOSA-N 2 2 342.443 1.803 20 0 EDADLP Cc1ccc(OCC[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001033706024 708536354 /nfs/dbraw/zinc/53/63/54/708536354.db2.gz LRDDYSOXNMRVFJ-KRWDZBQOSA-N 2 2 342.443 1.803 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001002041610 708563097 /nfs/dbraw/zinc/56/30/97/708563097.db2.gz JWYJJHWRYKPZOK-CQSZACIVSA-N 2 2 343.431 1.090 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(OC)ccn2)C1 ZINC001033775321 708675697 /nfs/dbraw/zinc/67/56/97/708675697.db2.gz MUBHBZHUGHXFTR-FUHWJXTLSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC001033775321 708675699 /nfs/dbraw/zinc/67/56/99/708675699.db2.gz MUBHBZHUGHXFTR-FUHWJXTLSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(OC)ccn2)C1 ZINC001033775321 708675700 /nfs/dbraw/zinc/67/57/00/708675700.db2.gz MUBHBZHUGHXFTR-FUHWJXTLSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cc(OC)ccn2)C1 ZINC001033775321 708675702 /nfs/dbraw/zinc/67/57/02/708675702.db2.gz MUBHBZHUGHXFTR-FUHWJXTLSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033830465 708852028 /nfs/dbraw/zinc/85/20/28/708852028.db2.gz IQRSORNNHOUKOP-ZWKOTPCHSA-N 2 2 345.491 1.185 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033830465 708852030 /nfs/dbraw/zinc/85/20/30/708852030.db2.gz IQRSORNNHOUKOP-ZWKOTPCHSA-N 2 2 345.491 1.185 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033832810 708856525 /nfs/dbraw/zinc/85/65/25/708856525.db2.gz AGQNIJQSUWBHNE-KBAYOESNSA-N 2 2 347.507 1.492 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033832810 708856528 /nfs/dbraw/zinc/85/65/28/708856528.db2.gz AGQNIJQSUWBHNE-KBAYOESNSA-N 2 2 347.507 1.492 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033832810 708856530 /nfs/dbraw/zinc/85/65/30/708856530.db2.gz AGQNIJQSUWBHNE-KBAYOESNSA-N 2 2 347.507 1.492 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033832810 708856532 /nfs/dbraw/zinc/85/65/32/708856532.db2.gz AGQNIJQSUWBHNE-KBAYOESNSA-N 2 2 347.507 1.492 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C1CC[NH+](Cc2ccon2)CC1 ZINC001005392120 708865769 /nfs/dbraw/zinc/86/57/69/708865769.db2.gz WUMQQEYXJYQCDL-CRAIPNDOSA-N 2 2 346.475 1.972 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1CC[NH+](Cc2ccon2)CC1 ZINC001005392120 708865772 /nfs/dbraw/zinc/86/57/72/708865772.db2.gz WUMQQEYXJYQCDL-CRAIPNDOSA-N 2 2 346.475 1.972 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001033868756 708956004 /nfs/dbraw/zinc/95/60/04/708956004.db2.gz HWFMCBNSYHGKBX-SQVJTMBNSA-N 2 2 329.872 1.381 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001033868756 708956006 /nfs/dbraw/zinc/95/60/06/708956006.db2.gz HWFMCBNSYHGKBX-SQVJTMBNSA-N 2 2 329.872 1.381 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001033868756 708956008 /nfs/dbraw/zinc/95/60/08/708956008.db2.gz HWFMCBNSYHGKBX-SQVJTMBNSA-N 2 2 329.872 1.381 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001033868756 708956010 /nfs/dbraw/zinc/95/60/10/708956010.db2.gz HWFMCBNSYHGKBX-SQVJTMBNSA-N 2 2 329.872 1.381 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001005432048 708995452 /nfs/dbraw/zinc/99/54/52/708995452.db2.gz OEYVTKMVMCYBKZ-CQSZACIVSA-N 2 2 334.464 1.066 20 0 EDADLP CC(C)c1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001002472387 709005379 /nfs/dbraw/zinc/00/53/79/709005379.db2.gz AFRBUBKBBXSNQT-HNNXBMFYSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001002472387 709005383 /nfs/dbraw/zinc/00/53/83/709005383.db2.gz AFRBUBKBBXSNQT-HNNXBMFYSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002478360 709027638 /nfs/dbraw/zinc/02/76/38/709027638.db2.gz BLSZGLNTYCEDTF-MRXNPFEDSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002478360 709027641 /nfs/dbraw/zinc/02/76/41/709027641.db2.gz BLSZGLNTYCEDTF-MRXNPFEDSA-N 2 2 334.464 1.973 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cs1 ZINC001002535195 709092820 /nfs/dbraw/zinc/09/28/20/709092820.db2.gz QUADHDZINBMNOV-INIZCTEOSA-N 2 2 337.489 1.468 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cs1 ZINC001002535195 709092823 /nfs/dbraw/zinc/09/28/23/709092823.db2.gz QUADHDZINBMNOV-INIZCTEOSA-N 2 2 337.489 1.468 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001005475943 709112622 /nfs/dbraw/zinc/11/26/22/709112622.db2.gz LOPDIYOWVYIPRL-INIZCTEOSA-N 2 2 349.479 1.675 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001005475943 709112623 /nfs/dbraw/zinc/11/26/23/709112623.db2.gz LOPDIYOWVYIPRL-INIZCTEOSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@H+](CCCO)C1 ZINC001034017165 709234271 /nfs/dbraw/zinc/23/42/71/709234271.db2.gz YDZITRRQBPQNDG-INIZCTEOSA-N 2 2 343.431 1.186 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001034017165 709234272 /nfs/dbraw/zinc/23/42/72/709234272.db2.gz YDZITRRQBPQNDG-INIZCTEOSA-N 2 2 343.431 1.186 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@H](N(CC)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034041146 709289200 /nfs/dbraw/zinc/28/92/00/709289200.db2.gz BXNUDZKEUXCAIG-GJZGRUSLSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@H](N(CC)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034041146 709289202 /nfs/dbraw/zinc/28/92/02/709289202.db2.gz BXNUDZKEUXCAIG-GJZGRUSLSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@H](N(CC)C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001034041146 709289204 /nfs/dbraw/zinc/28/92/04/709289204.db2.gz BXNUDZKEUXCAIG-GJZGRUSLSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@H](N(CC)C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034041146 709289205 /nfs/dbraw/zinc/28/92/05/709289205.db2.gz BXNUDZKEUXCAIG-GJZGRUSLSA-N 2 2 334.464 1.612 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034042851 709293377 /nfs/dbraw/zinc/29/33/77/709293377.db2.gz QQSDFEGJDCUDPY-JKSUJKDBSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034042851 709293378 /nfs/dbraw/zinc/29/33/78/709293378.db2.gz QQSDFEGJDCUDPY-JKSUJKDBSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001034042851 709293381 /nfs/dbraw/zinc/29/33/81/709293381.db2.gz QQSDFEGJDCUDPY-JKSUJKDBSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001034042851 709293382 /nfs/dbraw/zinc/29/33/82/709293382.db2.gz QQSDFEGJDCUDPY-JKSUJKDBSA-N 2 2 346.475 1.927 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccc(F)cn2)C1 ZINC001034139158 709389192 /nfs/dbraw/zinc/38/91/92/709389192.db2.gz RQZZZJYOAXRHHA-SJORKVTESA-N 2 2 334.439 1.786 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccc(F)cn2)C1 ZINC001034139158 709389195 /nfs/dbraw/zinc/38/91/95/709389195.db2.gz RQZZZJYOAXRHHA-SJORKVTESA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001034139158 709389198 /nfs/dbraw/zinc/38/91/98/709389198.db2.gz RQZZZJYOAXRHHA-SJORKVTESA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001034139158 709389199 /nfs/dbraw/zinc/38/91/99/709389199.db2.gz RQZZZJYOAXRHHA-SJORKVTESA-N 2 2 334.439 1.786 20 0 EDADLP Cc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001034148879 709420169 /nfs/dbraw/zinc/42/01/69/709420169.db2.gz PSUMJKNKMNLNLX-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001034148879 709420170 /nfs/dbraw/zinc/42/01/70/709420170.db2.gz PSUMJKNKMNLNLX-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001034148879 709420171 /nfs/dbraw/zinc/42/01/71/709420171.db2.gz PSUMJKNKMNLNLX-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001034148879 709420172 /nfs/dbraw/zinc/42/01/72/709420172.db2.gz PSUMJKNKMNLNLX-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001032829763 709460279 /nfs/dbraw/zinc/46/02/79/709460279.db2.gz JILWITDPBFVCSW-VYDXJSESSA-N 2 2 331.464 1.521 20 0 EDADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001032829763 709460281 /nfs/dbraw/zinc/46/02/81/709460281.db2.gz JILWITDPBFVCSW-VYDXJSESSA-N 2 2 331.464 1.521 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001032829763 709460283 /nfs/dbraw/zinc/46/02/83/709460283.db2.gz JILWITDPBFVCSW-VYDXJSESSA-N 2 2 331.464 1.521 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001032829763 709460284 /nfs/dbraw/zinc/46/02/84/709460284.db2.gz JILWITDPBFVCSW-VYDXJSESSA-N 2 2 331.464 1.521 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252356 709652341 /nfs/dbraw/zinc/65/23/41/709652341.db2.gz NYPOREMNGSIOJA-BRWVUGGUSA-N 2 2 346.475 1.911 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252356 709652346 /nfs/dbraw/zinc/65/23/46/709652346.db2.gz NYPOREMNGSIOJA-BRWVUGGUSA-N 2 2 346.475 1.911 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034252356 709652350 /nfs/dbraw/zinc/65/23/50/709652350.db2.gz NYPOREMNGSIOJA-BRWVUGGUSA-N 2 2 346.475 1.911 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034252356 709652355 /nfs/dbraw/zinc/65/23/55/709652355.db2.gz NYPOREMNGSIOJA-BRWVUGGUSA-N 2 2 346.475 1.911 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001002953797 709653730 /nfs/dbraw/zinc/65/37/30/709653730.db2.gz CQNSHAGVZGYEMA-BBRMVZONSA-N 2 2 349.479 1.894 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001002953797 709653734 /nfs/dbraw/zinc/65/37/34/709653734.db2.gz CQNSHAGVZGYEMA-BBRMVZONSA-N 2 2 349.479 1.894 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC001002956638 709660454 /nfs/dbraw/zinc/66/04/54/709660454.db2.gz YSXBYUKIJHQLAP-GOSISDBHSA-N 2 2 347.507 1.684 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC001002956638 709660459 /nfs/dbraw/zinc/66/04/59/709660459.db2.gz YSXBYUKIJHQLAP-GOSISDBHSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)nn1C ZINC001034271470 709678468 /nfs/dbraw/zinc/67/84/68/709678468.db2.gz NCBYWQQSAGPSAV-SJLPKXTDSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)nn1C ZINC001034271470 709678471 /nfs/dbraw/zinc/67/84/71/709678471.db2.gz NCBYWQQSAGPSAV-SJLPKXTDSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1C ZINC001034271470 709678474 /nfs/dbraw/zinc/67/84/74/709678474.db2.gz NCBYWQQSAGPSAV-SJLPKXTDSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)nn1C ZINC001034271470 709678477 /nfs/dbraw/zinc/67/84/77/709678477.db2.gz NCBYWQQSAGPSAV-SJLPKXTDSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2ccns2)C1 ZINC001034309376 709751343 /nfs/dbraw/zinc/75/13/43/709751343.db2.gz LDBKIHBGLLHHJV-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccns2)C1 ZINC001034309376 709751346 /nfs/dbraw/zinc/75/13/46/709751346.db2.gz LDBKIHBGLLHHJV-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001034311632 709756386 /nfs/dbraw/zinc/75/63/86/709756386.db2.gz IGASQCWBVBJEOZ-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001034311632 709756391 /nfs/dbraw/zinc/75/63/91/709756391.db2.gz IGASQCWBVBJEOZ-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034394938 709931801 /nfs/dbraw/zinc/93/18/01/709931801.db2.gz SGDCPVYKGPBWQD-HNNXBMFYSA-N 2 2 348.495 1.018 20 0 EDADLP Cn1nncc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034394938 709931805 /nfs/dbraw/zinc/93/18/05/709931805.db2.gz SGDCPVYKGPBWQD-HNNXBMFYSA-N 2 2 348.495 1.018 20 0 EDADLP Cn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034394938 709931809 /nfs/dbraw/zinc/93/18/09/709931809.db2.gz SGDCPVYKGPBWQD-HNNXBMFYSA-N 2 2 348.495 1.018 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1C ZINC001034396750 709936645 /nfs/dbraw/zinc/93/66/45/709936645.db2.gz HQDHRJTYSCLVGW-RDJZCZTQSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1C ZINC001034396750 709936646 /nfs/dbraw/zinc/93/66/46/709936646.db2.gz HQDHRJTYSCLVGW-RDJZCZTQSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)nn1C ZINC001034396750 709936649 /nfs/dbraw/zinc/93/66/49/709936649.db2.gz HQDHRJTYSCLVGW-RDJZCZTQSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)nn1C ZINC001034396750 709936652 /nfs/dbraw/zinc/93/66/52/709936652.db2.gz HQDHRJTYSCLVGW-RDJZCZTQSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034491059 710110606 /nfs/dbraw/zinc/11/06/06/710110606.db2.gz PLCFMUOMOZTANK-INIZCTEOSA-N 2 2 344.463 1.175 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034491059 710110607 /nfs/dbraw/zinc/11/06/07/710110607.db2.gz PLCFMUOMOZTANK-INIZCTEOSA-N 2 2 344.463 1.175 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034491223 710110925 /nfs/dbraw/zinc/11/09/25/710110925.db2.gz QCJDSQXROIZDLX-MRXNPFEDSA-N 2 2 345.491 1.470 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034491223 710110928 /nfs/dbraw/zinc/11/09/28/710110928.db2.gz QCJDSQXROIZDLX-MRXNPFEDSA-N 2 2 345.491 1.470 20 0 EDADLP COCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034493182 710115147 /nfs/dbraw/zinc/11/51/47/710115147.db2.gz SHUARTXMNMHMJO-HNNXBMFYSA-N 2 2 343.431 1.498 20 0 EDADLP COCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034493182 710115149 /nfs/dbraw/zinc/11/51/49/710115149.db2.gz SHUARTXMNMHMJO-HNNXBMFYSA-N 2 2 343.431 1.498 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)o1 ZINC001003228740 710149714 /nfs/dbraw/zinc/14/97/14/710149714.db2.gz BWQUWZWKYKCZPS-MRXNPFEDSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)o1 ZINC001003228740 710149715 /nfs/dbraw/zinc/14/97/15/710149715.db2.gz BWQUWZWKYKCZPS-MRXNPFEDSA-N 2 2 349.479 1.579 20 0 EDADLP CCn1cc(C[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)nn1 ZINC001003423213 710338709 /nfs/dbraw/zinc/33/87/09/710338709.db2.gz BAFBVUVTOJUIFV-UHFFFAOYSA-N 2 2 348.495 1.253 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003630721 710460085 /nfs/dbraw/zinc/46/00/85/710460085.db2.gz NSBFVJYGYIYCLW-GJZGRUSLSA-N 2 2 331.464 1.460 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003630721 710460086 /nfs/dbraw/zinc/46/00/86/710460086.db2.gz NSBFVJYGYIYCLW-GJZGRUSLSA-N 2 2 331.464 1.460 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)OC ZINC001003653369 710470488 /nfs/dbraw/zinc/47/04/88/710470488.db2.gz WWSNEDJEPHOODL-ARFHVFGLSA-N 2 2 334.464 1.529 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001032843717 710482052 /nfs/dbraw/zinc/48/20/52/710482052.db2.gz UCCJZJQSMQIHEF-DCQHUWKXSA-N 2 2 343.471 1.611 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001032843717 710482054 /nfs/dbraw/zinc/48/20/54/710482054.db2.gz UCCJZJQSMQIHEF-DCQHUWKXSA-N 2 2 343.471 1.611 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](C/C=C/c3ccccc3)C2)C1 ZINC001032843717 710482055 /nfs/dbraw/zinc/48/20/55/710482055.db2.gz UCCJZJQSMQIHEF-DCQHUWKXSA-N 2 2 343.471 1.611 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)C1 ZINC001032843717 710482057 /nfs/dbraw/zinc/48/20/57/710482057.db2.gz UCCJZJQSMQIHEF-DCQHUWKXSA-N 2 2 343.471 1.611 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC001061327280 710576344 /nfs/dbraw/zinc/57/63/44/710576344.db2.gz GMGWVYRCLRMKSC-JKSUJKDBSA-N 2 2 331.464 1.581 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC001061327280 710576345 /nfs/dbraw/zinc/57/63/45/710576345.db2.gz GMGWVYRCLRMKSC-JKSUJKDBSA-N 2 2 331.464 1.581 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001034745973 710966103 /nfs/dbraw/zinc/96/61/03/710966103.db2.gz PPSXVUDPHQIAQH-XSWJXKHESA-N 2 2 332.448 1.396 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001032967563 711028183 /nfs/dbraw/zinc/02/81/83/711028183.db2.gz IUFOOZKGIXPWLP-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001032967563 711028188 /nfs/dbraw/zinc/02/81/88/711028188.db2.gz IUFOOZKGIXPWLP-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC001032967563 711028193 /nfs/dbraw/zinc/02/81/93/711028193.db2.gz IUFOOZKGIXPWLP-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC001032967563 711028199 /nfs/dbraw/zinc/02/81/99/711028199.db2.gz IUFOOZKGIXPWLP-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC001032967562 711028744 /nfs/dbraw/zinc/02/87/44/711028744.db2.gz IUFOOZKGIXPWLP-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC001032967562 711028748 /nfs/dbraw/zinc/02/87/48/711028748.db2.gz IUFOOZKGIXPWLP-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)ccn1 ZINC001032967562 711028752 /nfs/dbraw/zinc/02/87/52/711028752.db2.gz IUFOOZKGIXPWLP-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC001032967562 711028755 /nfs/dbraw/zinc/02/87/55/711028755.db2.gz IUFOOZKGIXPWLP-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)nn1C ZINC001034775492 711048809 /nfs/dbraw/zinc/04/88/09/711048809.db2.gz AWRSMDZHBAALOM-SHTZXODSSA-N 2 2 344.463 1.222 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001034776900 711054514 /nfs/dbraw/zinc/05/45/14/711054514.db2.gz BHEXSSVQAMONEU-JOCQHMNTSA-N 2 2 333.461 1.636 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC001034778770 711082608 /nfs/dbraw/zinc/08/26/08/711082608.db2.gz YTBCAZQWDDNPGL-YYIAUSFCSA-N 2 2 348.491 1.795 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2conc2C)CC1 ZINC001005714448 711102291 /nfs/dbraw/zinc/10/22/91/711102291.db2.gz RBNLLZLQOBTORD-UHFFFAOYSA-N 2 2 331.420 1.611 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003974737 711134988 /nfs/dbraw/zinc/13/49/88/711134988.db2.gz JKXZWLQAKCQNRQ-OAHLLOKOSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003974737 711134993 /nfs/dbraw/zinc/13/49/93/711134993.db2.gz JKXZWLQAKCQNRQ-OAHLLOKOSA-N 2 2 333.480 1.325 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC001034799488 711136128 /nfs/dbraw/zinc/13/61/28/711136128.db2.gz HFMDXXGFZJTDTQ-HDJSIYSDSA-N 2 2 344.419 1.361 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ncccn3)CC2)C1 ZINC001003967214 711137399 /nfs/dbraw/zinc/13/73/99/711137399.db2.gz JMQLLWMCEVFRON-RDJZCZTQSA-N 2 2 345.491 1.678 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC001034801276 711141177 /nfs/dbraw/zinc/14/11/77/711141177.db2.gz JKGLEZMVOOEEPR-YFHUEUNASA-N 2 2 332.448 1.327 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001003975493 711172588 /nfs/dbraw/zinc/17/25/88/711172588.db2.gz MULKTKSQBHOFIK-OAGGEKHMSA-N 2 2 330.476 1.979 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001034939713 711442128 /nfs/dbraw/zinc/44/21/28/711442128.db2.gz LSFZCMWDOCYHJD-RBSFLKMASA-N 2 2 349.479 1.443 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001034939713 711442131 /nfs/dbraw/zinc/44/21/31/711442131.db2.gz LSFZCMWDOCYHJD-RBSFLKMASA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nc(C)c(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001004153055 711549603 /nfs/dbraw/zinc/54/96/03/711549603.db2.gz UXLOSAPTRFWXSU-UHFFFAOYSA-N 2 2 345.447 1.831 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)sn1 ZINC001004148627 711561865 /nfs/dbraw/zinc/56/18/65/711561865.db2.gz UKUFMQQYNXRJKL-UHFFFAOYSA-N 2 2 338.477 1.328 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004576841 712004280 /nfs/dbraw/zinc/00/42/80/712004280.db2.gz GDUQPKQXMLGQQC-CRAIPNDOSA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004576841 712004282 /nfs/dbraw/zinc/00/42/82/712004282.db2.gz GDUQPKQXMLGQQC-CRAIPNDOSA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004576841 712004286 /nfs/dbraw/zinc/00/42/86/712004286.db2.gz GDUQPKQXMLGQQC-CRAIPNDOSA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004576841 712004288 /nfs/dbraw/zinc/00/42/88/712004288.db2.gz GDUQPKQXMLGQQC-CRAIPNDOSA-N 2 2 348.491 1.938 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([C@@H]2CCC[N@@H+]2Cc2ccon2)CC1 ZINC001004583184 712016281 /nfs/dbraw/zinc/01/62/81/712016281.db2.gz XLEFWZBFCVGIQN-KRWDZBQOSA-N 2 2 343.431 1.843 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([C@@H]2CCC[N@H+]2Cc2ccon2)CC1 ZINC001004583184 712016285 /nfs/dbraw/zinc/01/62/85/712016285.db2.gz XLEFWZBFCVGIQN-KRWDZBQOSA-N 2 2 343.431 1.843 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946649163 712175366 /nfs/dbraw/zinc/17/53/66/712175366.db2.gz OLNKSHSGWFETIO-YESZJQIVSA-N 2 2 348.466 1.976 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946649163 712175367 /nfs/dbraw/zinc/17/53/67/712175367.db2.gz OLNKSHSGWFETIO-YESZJQIVSA-N 2 2 348.466 1.976 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061543238 712311065 /nfs/dbraw/zinc/31/10/65/712311065.db2.gz WZNUGAXXSPPGTM-CVEARBPZSA-N 2 2 331.464 1.439 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CC3(O)CCOCC3)[C@H](C)C2)s1 ZINC000375514427 282151571 /nfs/dbraw/zinc/15/15/71/282151571.db2.gz NRQKMNKGXKSCKQ-CJNGLKHVSA-N 2 2 339.505 1.793 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CC3(O)CCOCC3)[C@H](C)C2)s1 ZINC000375514427 282151572 /nfs/dbraw/zinc/15/15/72/282151572.db2.gz NRQKMNKGXKSCKQ-CJNGLKHVSA-N 2 2 339.505 1.793 20 0 EDADLP CCc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)CC[NH2+]2)cc1 ZINC000347942332 539329013 /nfs/dbraw/zinc/32/90/13/539329013.db2.gz IXPQHWXNZKJQAP-BZSNNMDCSA-N 2 2 331.460 1.441 20 0 EDADLP CCc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)CC[NH2+]2)cc1 ZINC000347942332 539329016 /nfs/dbraw/zinc/32/90/16/539329016.db2.gz IXPQHWXNZKJQAP-BZSNNMDCSA-N 2 2 331.460 1.441 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)c3ccc4[nH+]ccn4c3)nc2)CC1 ZINC000171918132 529777661 /nfs/dbraw/zinc/77/76/61/529777661.db2.gz DMERJUDKOLTLLY-UHFFFAOYSA-N 2 2 336.399 1.733 20 0 EDADLP CC[NH+]1CCC(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000559513443 306255938 /nfs/dbraw/zinc/25/59/38/306255938.db2.gz VRHUYPAUEXJZTQ-MRXNPFEDSA-N 2 2 333.480 1.972 20 0 EDADLP CC[NH+]1CCC(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000559513443 306255939 /nfs/dbraw/zinc/25/59/39/306255939.db2.gz VRHUYPAUEXJZTQ-MRXNPFEDSA-N 2 2 333.480 1.972 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000174549220 529931127 /nfs/dbraw/zinc/93/11/27/529931127.db2.gz LHQAYIXUJBWSRY-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000174549220 529931128 /nfs/dbraw/zinc/93/11/28/529931128.db2.gz LHQAYIXUJBWSRY-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000174549220 529931129 /nfs/dbraw/zinc/93/11/29/529931129.db2.gz LHQAYIXUJBWSRY-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000174549220 529931131 /nfs/dbraw/zinc/93/11/31/529931131.db2.gz LHQAYIXUJBWSRY-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CNC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000183790779 529937838 /nfs/dbraw/zinc/93/78/38/529937838.db2.gz NRZYYMHMLFWNKK-UHFFFAOYSA-N 2 2 325.416 1.467 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCC2(C)COC2)([NH+]2CCCCC2)CC1 ZINC000174883923 530049296 /nfs/dbraw/zinc/04/92/96/530049296.db2.gz XCVUSJSOVSDXIL-UHFFFAOYSA-N 2 2 338.496 1.272 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000178499371 232204834 /nfs/dbraw/zinc/20/48/34/232204834.db2.gz XWJFDCFUBMFBOR-ZFWWWQNUSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@H+]1C ZINC000178499371 232204843 /nfs/dbraw/zinc/20/48/43/232204843.db2.gz XWJFDCFUBMFBOR-ZFWWWQNUSA-N 2 2 325.478 1.509 20 0 EDADLP C[N@H+](CCN1CC[NH+](CC(=O)NC2CC2)CC1)Cc1ccccc1 ZINC000066534293 215050882 /nfs/dbraw/zinc/05/08/82/215050882.db2.gz GVCPFQITDSCPPC-UHFFFAOYSA-N 2 2 330.476 1.015 20 0 EDADLP C[N@@H+](CCN1CC[NH+](CC(=O)NC2CC2)CC1)Cc1ccccc1 ZINC000066534293 215050885 /nfs/dbraw/zinc/05/08/85/215050885.db2.gz GVCPFQITDSCPPC-UHFFFAOYSA-N 2 2 330.476 1.015 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412372819 304002575 /nfs/dbraw/zinc/00/25/75/304002575.db2.gz RACGJIQNVTYZHT-KBPBESRZSA-N 2 2 327.469 1.154 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412372819 304002576 /nfs/dbraw/zinc/00/25/76/304002576.db2.gz RACGJIQNVTYZHT-KBPBESRZSA-N 2 2 327.469 1.154 20 0 EDADLP CN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC([NH3+])C1 ZINC000561145512 306282679 /nfs/dbraw/zinc/28/26/79/306282679.db2.gz OOKGUAAMFMOZQP-OFLPRAFFSA-N 2 2 332.448 1.019 20 0 EDADLP CN(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC([NH3+])C1 ZINC000561145512 306282680 /nfs/dbraw/zinc/28/26/80/306282680.db2.gz OOKGUAAMFMOZQP-OFLPRAFFSA-N 2 2 332.448 1.019 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000342975723 539767825 /nfs/dbraw/zinc/76/78/25/539767825.db2.gz JKPKLRVENLDICF-CQSZACIVSA-N 2 2 345.447 1.105 20 0 EDADLP CCN1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000562328199 306295597 /nfs/dbraw/zinc/29/55/97/306295597.db2.gz QXSAYECWRBHUDW-QGZVFWFLSA-N 2 2 341.459 1.990 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152453340 539813256 /nfs/dbraw/zinc/81/32/56/539813256.db2.gz AIHFLAUSDIGRAR-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152453340 539813261 /nfs/dbraw/zinc/81/32/61/539813261.db2.gz AIHFLAUSDIGRAR-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000152456959 539813324 /nfs/dbraw/zinc/81/33/24/539813324.db2.gz VSMYYZNURSDVGO-BHYGNILZSA-N 2 2 334.464 1.308 20 0 EDADLP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000152456959 539813329 /nfs/dbraw/zinc/81/33/29/539813329.db2.gz VSMYYZNURSDVGO-BHYGNILZSA-N 2 2 334.464 1.308 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441645 306298604 /nfs/dbraw/zinc/29/86/04/306298604.db2.gz CNCICXTXLKKBJH-RTBURBONSA-N 2 2 335.492 1.526 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441645 306298605 /nfs/dbraw/zinc/29/86/05/306298605.db2.gz CNCICXTXLKKBJH-RTBURBONSA-N 2 2 335.492 1.526 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441645 306298606 /nfs/dbraw/zinc/29/86/06/306298606.db2.gz CNCICXTXLKKBJH-RTBURBONSA-N 2 2 335.492 1.526 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441645 306298607 /nfs/dbraw/zinc/29/86/07/306298607.db2.gz CNCICXTXLKKBJH-RTBURBONSA-N 2 2 335.492 1.526 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)O1 ZINC000441330603 305220893 /nfs/dbraw/zinc/22/08/93/305220893.db2.gz LXYZLCASLHAIDP-ZJPYXAASSA-N 2 2 327.513 1.263 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)C[C@@H](C)O1 ZINC000441330603 305220891 /nfs/dbraw/zinc/22/08/91/305220891.db2.gz LXYZLCASLHAIDP-ZJPYXAASSA-N 2 2 327.513 1.263 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)C[C@@H](C)O1 ZINC000441330603 305220892 /nfs/dbraw/zinc/22/08/92/305220892.db2.gz LXYZLCASLHAIDP-ZJPYXAASSA-N 2 2 327.513 1.263 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C)O1 ZINC000441330603 305220894 /nfs/dbraw/zinc/22/08/94/305220894.db2.gz LXYZLCASLHAIDP-ZJPYXAASSA-N 2 2 327.513 1.263 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)cn2)CC1 ZINC000127389273 222834655 /nfs/dbraw/zinc/83/46/55/222834655.db2.gz ZAXFYIYEYDQRGH-KRWDZBQOSA-N 2 2 326.448 1.894 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3c3ccc[nH]3)cn2)CC1 ZINC000127389273 222834659 /nfs/dbraw/zinc/83/46/59/222834659.db2.gz ZAXFYIYEYDQRGH-KRWDZBQOSA-N 2 2 326.448 1.894 20 0 EDADLP COc1cc(Cl)c(C)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000562746873 306307584 /nfs/dbraw/zinc/30/75/84/306307584.db2.gz RYTLOVTZXPNONB-LLVKDONJSA-N 2 2 326.828 1.764 20 0 EDADLP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000356329752 539965487 /nfs/dbraw/zinc/96/54/87/539965487.db2.gz KDBACDJAQWWDCB-HNNXBMFYSA-N 2 2 332.404 1.282 20 0 EDADLP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000356329752 539965491 /nfs/dbraw/zinc/96/54/91/539965491.db2.gz KDBACDJAQWWDCB-HNNXBMFYSA-N 2 2 332.404 1.282 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000356804008 539970008 /nfs/dbraw/zinc/97/00/08/539970008.db2.gz XGQUJDLYFVQXGZ-UHFFFAOYSA-N 2 2 332.314 1.868 20 0 EDADLP Cn1cc(-c2ncc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cn2)cn1 ZINC000562901931 306312139 /nfs/dbraw/zinc/31/21/39/306312139.db2.gz KFGASKNAPRQFGP-WBVHZDCISA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cn2)cn1 ZINC000562901931 306312140 /nfs/dbraw/zinc/31/21/40/306312140.db2.gz KFGASKNAPRQFGP-WBVHZDCISA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cn2)cn1 ZINC000562901931 306312141 /nfs/dbraw/zinc/31/21/41/306312141.db2.gz KFGASKNAPRQFGP-WBVHZDCISA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cn2)cn1 ZINC000562901931 306312142 /nfs/dbraw/zinc/31/21/42/306312142.db2.gz KFGASKNAPRQFGP-WBVHZDCISA-N 2 2 326.448 1.793 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000563036118 306316239 /nfs/dbraw/zinc/31/62/39/306316239.db2.gz DJELRIBADAXBFT-HUUCEWRRSA-N 2 2 331.464 1.555 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000413030185 304050848 /nfs/dbraw/zinc/05/08/48/304050848.db2.gz GEGXQUWIDSBQHY-UHFFFAOYSA-N 2 2 340.512 1.706 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)C(F)(F)F ZINC000563409351 306332146 /nfs/dbraw/zinc/33/21/46/306332146.db2.gz QPLJZZGSEZQWJN-WOPDTQHZSA-N 2 2 330.354 1.619 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)C(F)(F)F ZINC000563409351 306332147 /nfs/dbraw/zinc/33/21/47/306332147.db2.gz QPLJZZGSEZQWJN-WOPDTQHZSA-N 2 2 330.354 1.619 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CCC([NH+]4CCCC4)CC3)nc[nH+]2)C1 ZINC000413062794 304054744 /nfs/dbraw/zinc/05/47/44/304054744.db2.gz QDWWLMVECAATQP-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CCC([NH+]4CCCC4)CC3)[nH+]cn2)C1 ZINC000413062794 304054746 /nfs/dbraw/zinc/05/47/46/304054746.db2.gz QDWWLMVECAATQP-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000053955133 138141948 /nfs/dbraw/zinc/14/19/48/138141948.db2.gz WWILATMNJAGENM-UHFFFAOYSA-N 2 2 346.475 1.236 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000053955133 138141949 /nfs/dbraw/zinc/14/19/49/138141949.db2.gz WWILATMNJAGENM-UHFFFAOYSA-N 2 2 346.475 1.236 20 0 EDADLP CCOCCO[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797148 138133184 /nfs/dbraw/zinc/13/31/84/138133184.db2.gz QSONQYYFWWONPH-HNNXBMFYSA-N 2 2 341.496 1.103 20 0 EDADLP Cc1cccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1Br ZINC000637863416 452120628 /nfs/dbraw/zinc/12/06/28/452120628.db2.gz BLKHDRNPUSJEKC-ZDUSSCGKSA-N 2 2 340.265 1.401 20 0 EDADLP Cc1cccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1Br ZINC000637863416 452120632 /nfs/dbraw/zinc/12/06/32/452120632.db2.gz BLKHDRNPUSJEKC-ZDUSSCGKSA-N 2 2 340.265 1.401 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)NC3CCOCC3)C2)CC1 ZINC000076492216 138248460 /nfs/dbraw/zinc/24/84/60/138248460.db2.gz LDSLXWPIBQMGCF-QGZVFWFLSA-N 2 2 337.508 1.726 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)NC3CCOCC3)C2)CC1 ZINC000076492216 138248461 /nfs/dbraw/zinc/24/84/61/138248461.db2.gz LDSLXWPIBQMGCF-QGZVFWFLSA-N 2 2 337.508 1.726 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000076756539 138249332 /nfs/dbraw/zinc/24/93/32/138249332.db2.gz JIESKTKUILUSIV-AEFFLSMTSA-N 2 2 330.476 1.725 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000076756539 138249335 /nfs/dbraw/zinc/24/93/35/138249335.db2.gz JIESKTKUILUSIV-AEFFLSMTSA-N 2 2 330.476 1.725 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000085424184 138270640 /nfs/dbraw/zinc/27/06/40/138270640.db2.gz NNIAGOPVQGPVRE-HNNXBMFYSA-N 3 2 341.544 1.288 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000079454378 138261546 /nfs/dbraw/zinc/26/15/46/138261546.db2.gz VPQFUHGXWOFJDT-OAHLLOKOSA-N 2 2 343.475 1.834 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000079454378 138261547 /nfs/dbraw/zinc/26/15/47/138261547.db2.gz VPQFUHGXWOFJDT-OAHLLOKOSA-N 2 2 343.475 1.834 20 0 EDADLP C[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000103202812 138299075 /nfs/dbraw/zinc/29/90/75/138299075.db2.gz AFMTVDYQIOACFH-OAGGEKHMSA-N 2 2 349.479 1.415 20 0 EDADLP CC[C@@](C)(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000105211167 138300960 /nfs/dbraw/zinc/30/09/60/138300960.db2.gz OKMFQJSITZIOHB-QGZVFWFLSA-N 2 2 326.485 1.005 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770439 138294509 /nfs/dbraw/zinc/29/45/09/138294509.db2.gz HEFVIKIKHYWGJW-INIZCTEOSA-N 3 2 332.496 1.002 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770439 138294510 /nfs/dbraw/zinc/29/45/10/138294510.db2.gz HEFVIKIKHYWGJW-INIZCTEOSA-N 3 2 332.496 1.002 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770439 138294511 /nfs/dbraw/zinc/29/45/11/138294511.db2.gz HEFVIKIKHYWGJW-INIZCTEOSA-N 3 2 332.496 1.002 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770439 138294512 /nfs/dbraw/zinc/29/45/12/138294512.db2.gz HEFVIKIKHYWGJW-INIZCTEOSA-N 3 2 332.496 1.002 20 0 EDADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164846 138302866 /nfs/dbraw/zinc/30/28/66/138302866.db2.gz WJURQXCGVFTVOP-LBPRGKRZSA-N 2 2 344.467 1.269 20 0 EDADLP CC[C@H](C)Oc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccn1 ZINC000563584896 306340077 /nfs/dbraw/zinc/34/00/77/306340077.db2.gz SYKMTJZSLPSCGT-ZFWWWQNUSA-N 2 2 335.452 1.043 20 0 EDADLP CC[C@H](C)Oc1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccn1 ZINC000563584896 306340078 /nfs/dbraw/zinc/34/00/78/306340078.db2.gz SYKMTJZSLPSCGT-ZFWWWQNUSA-N 2 2 335.452 1.043 20 0 EDADLP COCC[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000124522154 138327494 /nfs/dbraw/zinc/32/74/94/138327494.db2.gz BNRFARWCPNJGKM-HOTGVXAUSA-N 2 2 349.479 1.297 20 0 EDADLP Cc1nc2n(n1)C[C@@H]([NH2+]CC1(C[NH+]3CCOCC3)CCCCC1)CC2 ZINC000121111685 138317216 /nfs/dbraw/zinc/31/72/16/138317216.db2.gz FNUKJJFPYZOBIC-KRWDZBQOSA-N 2 2 347.507 1.774 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000130371839 138340971 /nfs/dbraw/zinc/34/09/71/138340971.db2.gz MBBDALDTRXOPST-OAHLLOKOSA-N 2 2 330.432 1.919 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000130371839 138340972 /nfs/dbraw/zinc/34/09/72/138340972.db2.gz MBBDALDTRXOPST-OAHLLOKOSA-N 2 2 330.432 1.919 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000131614110 138362653 /nfs/dbraw/zinc/36/26/53/138362653.db2.gz AQTVVZDJWDDHMO-HZPDHXFCSA-N 2 2 347.463 1.200 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000131614110 138362655 /nfs/dbraw/zinc/36/26/55/138362655.db2.gz AQTVVZDJWDDHMO-HZPDHXFCSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](NC(=O)c1csc(C[NH3+])n1)C1([NH+]2CCOCC2)CCCC1 ZINC000237459779 299255386 /nfs/dbraw/zinc/25/53/86/299255386.db2.gz BAKJRDLXPNPDLQ-LBPRGKRZSA-N 2 2 338.477 1.365 20 0 EDADLP C[NH+](C)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133888144 138399520 /nfs/dbraw/zinc/39/95/20/138399520.db2.gz RPNCOQADNPZUTH-GOEBONIOSA-N 2 2 325.840 1.390 20 0 EDADLP C[NH+](C)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133888144 138399521 /nfs/dbraw/zinc/39/95/21/138399521.db2.gz RPNCOQADNPZUTH-GOEBONIOSA-N 2 2 325.840 1.390 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000563685295 306344909 /nfs/dbraw/zinc/34/49/09/306344909.db2.gz WUWZORAFAJYOAT-UHFFFAOYSA-N 2 2 329.448 1.480 20 0 EDADLP Cc1nc(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2)no1 ZINC000563693406 306345366 /nfs/dbraw/zinc/34/53/66/306345366.db2.gz ZOSNRCPBUQDVAR-AWEZNQCLSA-N 2 2 330.392 1.152 20 0 EDADLP CC(=O)Nc1ccccc1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563805908 306347838 /nfs/dbraw/zinc/34/78/38/306347838.db2.gz MPEWMJAYEMKRJR-JKIFEVAISA-N 2 2 335.448 1.205 20 0 EDADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000376967965 295955453 /nfs/dbraw/zinc/95/54/53/295955453.db2.gz OASQAVDYCOHMQT-KDOFPFPSSA-N 2 2 326.400 1.900 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000563974528 306353998 /nfs/dbraw/zinc/35/39/98/306353998.db2.gz ZUGRXGWMEPBJIM-MJGOQNOKSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563974528 306353999 /nfs/dbraw/zinc/35/39/99/306353999.db2.gz ZUGRXGWMEPBJIM-MJGOQNOKSA-N 2 2 345.487 1.688 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H]1CCn2cc[nH+]c2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000369664191 155131981 /nfs/dbraw/zinc/13/19/81/155131981.db2.gz LIDJTPHSZSJUOX-HPFXQQBRSA-N 2 2 348.491 1.696 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H]1CCn2cc[nH+]c2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000369664191 155131982 /nfs/dbraw/zinc/13/19/82/155131982.db2.gz LIDJTPHSZSJUOX-HPFXQQBRSA-N 2 2 348.491 1.696 20 0 EDADLP O=c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c2ccc(O)cc2o1 ZINC000129192168 223030325 /nfs/dbraw/zinc/03/03/25/223030325.db2.gz VRLCIYSMWVOUGC-CQSZACIVSA-N 2 2 344.411 1.653 20 0 EDADLP O=c1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c2ccc(O)cc2o1 ZINC000129192168 223030329 /nfs/dbraw/zinc/03/03/29/223030329.db2.gz VRLCIYSMWVOUGC-CQSZACIVSA-N 2 2 344.411 1.653 20 0 EDADLP CNC(=O)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(C)C ZINC000351737579 283386002 /nfs/dbraw/zinc/38/60/02/283386002.db2.gz ULMOTFQSPWKLHD-SFHVURJKSA-N 2 2 332.492 1.559 20 0 EDADLP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000178879509 138746944 /nfs/dbraw/zinc/74/69/44/138746944.db2.gz DYLTWYLDEUDXGV-QGZVFWFLSA-N 2 2 339.443 1.150 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000564711678 306363017 /nfs/dbraw/zinc/36/30/17/306363017.db2.gz WGNPWTAMDCIQLU-UHFFFAOYSA-N 2 2 342.443 1.552 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)n1 ZINC000173912796 237271223 /nfs/dbraw/zinc/27/12/23/237271223.db2.gz UCRRTUQTZLMKFI-UHFFFAOYSA-N 2 2 341.419 1.457 20 0 EDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc(-c3ccccc3)on2)CC1 ZINC000564847403 306367018 /nfs/dbraw/zinc/36/70/18/306367018.db2.gz LPUYMZBCQPNEEW-KRWDZBQOSA-N 2 2 330.432 1.040 20 0 EDADLP OC[C@H](CC1CCCC1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000564978597 306371822 /nfs/dbraw/zinc/37/18/22/306371822.db2.gz NRDZVPUYWSOSTQ-PMACEKPBSA-N 2 2 332.488 1.936 20 0 EDADLP OC[C@H](CC1CCCC1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000564978597 306371823 /nfs/dbraw/zinc/37/18/23/306371823.db2.gz NRDZVPUYWSOSTQ-PMACEKPBSA-N 2 2 332.488 1.936 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267188224 299310521 /nfs/dbraw/zinc/31/05/21/299310521.db2.gz CWBVZIKSMBAIIL-SXLOBPIMSA-N 2 2 346.519 1.284 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267188224 299310526 /nfs/dbraw/zinc/31/05/26/299310526.db2.gz CWBVZIKSMBAIIL-SXLOBPIMSA-N 2 2 346.519 1.284 20 0 EDADLP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000565292176 306380721 /nfs/dbraw/zinc/38/07/21/306380721.db2.gz JXEPKSVHVBTSEH-OAHLLOKOSA-N 2 2 339.447 1.944 20 0 EDADLP CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000565292176 306380722 /nfs/dbraw/zinc/38/07/22/306380722.db2.gz JXEPKSVHVBTSEH-OAHLLOKOSA-N 2 2 339.447 1.944 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000565349274 306381846 /nfs/dbraw/zinc/38/18/46/306381846.db2.gz BWGWYEVLOSCJOG-UHFFFAOYSA-N 2 2 330.476 1.603 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC[C@H](O)C(F)(F)F)c2cc1C ZINC000565833722 306392912 /nfs/dbraw/zinc/39/29/12/306392912.db2.gz QCVAZRPFFWDSOS-DOMZBBRYSA-N 2 2 345.365 1.917 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000565890978 306394139 /nfs/dbraw/zinc/39/41/39/306394139.db2.gz CEHYYJIKGFGONQ-CQSZACIVSA-N 2 2 343.431 1.769 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H]([C@@H](C)O)C2)CC1 ZINC000414593711 304124775 /nfs/dbraw/zinc/12/47/75/304124775.db2.gz RDXFPJYDBBUYBK-APWZRJJASA-N 2 2 333.476 1.410 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H]([C@@H](C)O)C2)CC1 ZINC000414593711 304124776 /nfs/dbraw/zinc/12/47/76/304124776.db2.gz RDXFPJYDBBUYBK-APWZRJJASA-N 2 2 333.476 1.410 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333478985 283980014 /nfs/dbraw/zinc/98/00/14/283980014.db2.gz BEZVUXAEQWUKDU-OWCLPIDISA-N 2 2 331.464 1.792 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)n1C ZINC000566496194 306416876 /nfs/dbraw/zinc/41/68/76/306416876.db2.gz CUSTVRHAULOORW-HNNXBMFYSA-N 2 2 328.416 1.498 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCN3CCCOCC3)c2cc1C ZINC000567105111 306437929 /nfs/dbraw/zinc/43/79/29/306437929.db2.gz RYHXQSIWJIVPMC-QGZVFWFLSA-N 2 2 346.475 1.326 20 0 EDADLP Brc1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]CCO3)c1)OCC2 ZINC000415098179 304159578 /nfs/dbraw/zinc/15/95/78/304159578.db2.gz VBBBAZQIEJZENL-ZDUSSCGKSA-N 2 2 327.222 1.462 20 0 EDADLP [NH3+]CCc1nc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cs1 ZINC000194828182 139000839 /nfs/dbraw/zinc/00/08/39/139000839.db2.gz JESNOHDEUJEGNP-UHFFFAOYSA-N 2 2 328.401 1.155 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000567290687 306445947 /nfs/dbraw/zinc/44/59/47/306445947.db2.gz KRGXQYRAAWOFLP-UHFFFAOYSA-N 2 2 327.388 1.957 20 0 EDADLP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000236653403 139027734 /nfs/dbraw/zinc/02/77/34/139027734.db2.gz SPSZWDOEBJGSLA-CABCVRRESA-N 2 2 337.489 1.626 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC000415161694 304168354 /nfs/dbraw/zinc/16/83/54/304168354.db2.gz VIPBGJPYNMUHBS-ZIAGYGMSSA-N 2 2 329.404 1.773 20 0 EDADLP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)[N@H+](C)C1CC1 ZINC000110698316 220058030 /nfs/dbraw/zinc/05/80/30/220058030.db2.gz ZUJKORCNQIAIET-HNNXBMFYSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)[N@@H+](C)C1CC1 ZINC000110698316 220058032 /nfs/dbraw/zinc/05/80/32/220058032.db2.gz ZUJKORCNQIAIET-HNNXBMFYSA-N 2 2 331.460 1.731 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000237283505 139046569 /nfs/dbraw/zinc/04/65/69/139046569.db2.gz LUFMXORDLPVHSN-KRWDZBQOSA-N 2 2 335.448 1.202 20 0 EDADLP CNC(=O)c1ccc(C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc1 ZINC000079496922 217235545 /nfs/dbraw/zinc/23/55/45/217235545.db2.gz NQDHYKGWFLHLDD-CYBMUJFWSA-N 2 2 332.473 1.655 20 0 EDADLP C[C@H](C(=O)NC1CCC([NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237442477 139051433 /nfs/dbraw/zinc/05/14/33/139051433.db2.gz VWBNNJHRJDZLBQ-ODIFPOPNSA-N 2 2 348.466 1.722 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000237442660 139051491 /nfs/dbraw/zinc/05/14/91/139051491.db2.gz BZYZCMOZDKFTPO-CLCXKQKWSA-N 2 2 346.475 1.844 20 0 EDADLP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237993731 139065883 /nfs/dbraw/zinc/06/58/83/139065883.db2.gz MLMMDMKQWBHXJE-KRWDZBQOSA-N 2 2 329.444 1.426 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000111883360 220215915 /nfs/dbraw/zinc/21/59/15/220215915.db2.gz ZSXZBLWSYHIYKD-GOSISDBHSA-N 2 2 345.491 1.783 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000111883360 220215920 /nfs/dbraw/zinc/21/59/20/220215920.db2.gz ZSXZBLWSYHIYKD-GOSISDBHSA-N 2 2 345.491 1.783 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000245451556 139075546 /nfs/dbraw/zinc/07/55/46/139075546.db2.gz PPSOLLZGOOOXCR-SJORKVTESA-N 2 2 345.491 1.784 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000245451556 139075547 /nfs/dbraw/zinc/07/55/47/139075547.db2.gz PPSOLLZGOOOXCR-SJORKVTESA-N 2 2 345.491 1.784 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246296784 139102912 /nfs/dbraw/zinc/10/29/12/139102912.db2.gz BNCICTOFTZXKMA-ZBFHGGJFSA-N 2 2 332.448 1.284 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246296784 139102913 /nfs/dbraw/zinc/10/29/13/139102913.db2.gz BNCICTOFTZXKMA-ZBFHGGJFSA-N 2 2 332.448 1.284 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000246415879 139107555 /nfs/dbraw/zinc/10/75/55/139107555.db2.gz AFFGJLMPCBKYMS-WMZOPIPTSA-N 2 2 347.459 1.425 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2OCCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000246415879 139107556 /nfs/dbraw/zinc/10/75/56/139107556.db2.gz AFFGJLMPCBKYMS-WMZOPIPTSA-N 2 2 347.459 1.425 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000246703383 139117881 /nfs/dbraw/zinc/11/78/81/139117881.db2.gz WJXMNDNDXUZJLD-LMSBXDPUSA-N 2 2 331.460 1.502 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000568274077 306477660 /nfs/dbraw/zinc/47/76/60/306477660.db2.gz SGHGEHRYDDESCA-LNLFQRSKSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000568274078 306477666 /nfs/dbraw/zinc/47/76/66/306477666.db2.gz SGHGEHRYDDESCA-ZIFCJYIRSA-N 2 2 345.487 1.734 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1C[C@@H]([NH+]3CCOCC3)C[C@H]1C)CC2 ZINC000568521496 306483605 /nfs/dbraw/zinc/48/36/05/306483605.db2.gz IGKFYHFHAMCQPM-UNEWFSDZSA-N 2 2 332.448 1.076 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCCOc3ccccc3)CC[C@H]21 ZINC000248178602 139159152 /nfs/dbraw/zinc/15/91/52/139159152.db2.gz WAAXOIACJLRBJO-FUHWJXTLSA-N 2 2 331.460 1.598 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCCOc3ccccc3)CC[C@H]21 ZINC000248178602 139159153 /nfs/dbraw/zinc/15/91/53/139159153.db2.gz WAAXOIACJLRBJO-FUHWJXTLSA-N 2 2 331.460 1.598 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCCOc3ccccc3)CC[C@H]21 ZINC000248178602 139159154 /nfs/dbraw/zinc/15/91/54/139159154.db2.gz WAAXOIACJLRBJO-FUHWJXTLSA-N 2 2 331.460 1.598 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCCOc3ccccc3)CC[C@H]21 ZINC000248178602 139159155 /nfs/dbraw/zinc/15/91/55/139159155.db2.gz WAAXOIACJLRBJO-FUHWJXTLSA-N 2 2 331.460 1.598 20 0 EDADLP NC(=O)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248461893 139165257 /nfs/dbraw/zinc/16/52/57/139165257.db2.gz XWPIKVYCTFKOML-MOPGFXCFSA-N 2 2 339.439 1.569 20 0 EDADLP NC(=O)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248461893 139165258 /nfs/dbraw/zinc/16/52/58/139165258.db2.gz XWPIKVYCTFKOML-MOPGFXCFSA-N 2 2 339.439 1.569 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000093016956 218186863 /nfs/dbraw/zinc/18/68/63/218186863.db2.gz XDTXMKXOXZHQHX-OAHLLOKOSA-N 2 2 348.443 1.968 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000093016956 218186864 /nfs/dbraw/zinc/18/68/64/218186864.db2.gz XDTXMKXOXZHQHX-OAHLLOKOSA-N 2 2 348.443 1.968 20 0 EDADLP C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249561651 139195728 /nfs/dbraw/zinc/19/57/28/139195728.db2.gz LUEBHCXTHPORTK-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249561651 139195729 /nfs/dbraw/zinc/19/57/29/139195729.db2.gz LUEBHCXTHPORTK-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](CN1CCOCC1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249561651 139195730 /nfs/dbraw/zinc/19/57/30/139195730.db2.gz LUEBHCXTHPORTK-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](CN1CCOCC1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249561651 139195731 /nfs/dbraw/zinc/19/57/31/139195731.db2.gz LUEBHCXTHPORTK-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249561651 139195732 /nfs/dbraw/zinc/19/57/32/139195732.db2.gz LUEBHCXTHPORTK-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249561651 139195733 /nfs/dbraw/zinc/19/57/33/139195733.db2.gz LUEBHCXTHPORTK-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP CC[C@H](C)NC(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249570866 139195891 /nfs/dbraw/zinc/19/58/91/139195891.db2.gz OFADWHAOQJYDQV-LPHOPBHVSA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249570866 139195892 /nfs/dbraw/zinc/19/58/92/139195892.db2.gz OFADWHAOQJYDQV-LPHOPBHVSA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249570866 139195893 /nfs/dbraw/zinc/19/58/93/139195893.db2.gz OFADWHAOQJYDQV-LPHOPBHVSA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249570866 139195894 /nfs/dbraw/zinc/19/58/94/139195894.db2.gz OFADWHAOQJYDQV-LPHOPBHVSA-N 2 2 333.476 1.470 20 0 EDADLP COc1ccccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261780090 139225378 /nfs/dbraw/zinc/22/53/78/139225378.db2.gz PYQMIKFLEXEWFX-UHFFFAOYSA-N 2 2 327.432 1.770 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261797201 139226840 /nfs/dbraw/zinc/22/68/40/139226840.db2.gz IQGDPVVLDWPMLO-IPYPFGDCSA-N 2 2 347.463 1.588 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261797201 139226841 /nfs/dbraw/zinc/22/68/41/139226841.db2.gz IQGDPVVLDWPMLO-IPYPFGDCSA-N 2 2 347.463 1.588 20 0 EDADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000261842607 139230832 /nfs/dbraw/zinc/23/08/32/139230832.db2.gz NYBQPUONSACCFX-ZDUSSCGKSA-N 2 2 325.840 1.600 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)s1 ZINC000261912352 139236379 /nfs/dbraw/zinc/23/63/79/139236379.db2.gz GZFKYFPPBPTZSX-HNNXBMFYSA-N 2 2 334.489 1.485 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cnccc2C(C)(C)C)C[C@@H](C)O1 ZINC000569213833 306499825 /nfs/dbraw/zinc/49/98/25/306499825.db2.gz FTWPPDGAXMDMJQ-INMHGKMJSA-N 2 2 335.492 1.939 20 0 EDADLP C[C@@]1(C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)CC[NH2+]C1 ZINC000262146015 139254942 /nfs/dbraw/zinc/25/49/42/139254942.db2.gz ZNCNADWWGPMZCX-HXUWFJFHSA-N 2 2 342.487 1.193 20 0 EDADLP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000262171529 139257097 /nfs/dbraw/zinc/25/70/97/139257097.db2.gz VFZXVHMKZIMYOE-VNQPRFMTSA-N 2 2 340.851 1.568 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415554024 251007879 /nfs/dbraw/zinc/00/78/79/251007879.db2.gz PPHNWFPYHCLJLA-LBPRGKRZSA-N 2 2 343.431 1.555 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000416882183 251118105 /nfs/dbraw/zinc/11/81/05/251118105.db2.gz IFNHEEWKSGJLPS-GFCCVEGCSA-N 2 2 325.363 1.626 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCCC[NH2+]Cc2cccnc2)c[nH+]1 ZINC000417015079 251132553 /nfs/dbraw/zinc/13/25/53/251132553.db2.gz LYOHGIBDUHTMLB-UHFFFAOYSA-N 2 2 342.447 1.522 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccsc1 ZINC000417021136 251137170 /nfs/dbraw/zinc/13/71/70/251137170.db2.gz SWQMDHPGCZFJBO-ZFWWWQNUSA-N 2 2 328.457 1.694 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C[NH3+])c[nH+]2)CCO1 ZINC000416993287 251121981 /nfs/dbraw/zinc/12/19/81/251121981.db2.gz SANREDBMLWRASP-BMFZPTHFSA-N 2 2 347.463 1.233 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417085539 251140367 /nfs/dbraw/zinc/14/03/67/251140367.db2.gz XHYIVNYDUBUGBX-HZPDHXFCSA-N 2 2 331.464 1.915 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F)C[NH+]1CCCCC1 ZINC000417174906 251144211 /nfs/dbraw/zinc/14/42/11/251144211.db2.gz HSXMESBWLGSQJG-ZIAGYGMSSA-N 2 2 332.439 1.652 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417498018 251181164 /nfs/dbraw/zinc/18/11/64/251181164.db2.gz CVOIGXGPUKAYND-HNNXBMFYSA-N 2 2 326.485 1.304 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417498018 251181166 /nfs/dbraw/zinc/18/11/66/251181166.db2.gz CVOIGXGPUKAYND-HNNXBMFYSA-N 2 2 326.485 1.304 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237519088 295600901 /nfs/dbraw/zinc/60/09/01/295600901.db2.gz QDLCRLSILCOSTD-HZPDHXFCSA-N 2 2 337.489 1.257 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)C3(C[NH3+])CCOCC3)c[nH+]2)CC1 ZINC000262395727 139275999 /nfs/dbraw/zinc/27/59/99/139275999.db2.gz YFFLONHCTWSHOM-UHFFFAOYSA-N 2 2 346.475 1.690 20 0 EDADLP C[C@H]1C[N@@H+]([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)c2cccs2)CCO1 ZINC000417839467 251294417 /nfs/dbraw/zinc/29/44/17/251294417.db2.gz WOEVDZAXOIHUEO-MJBXVCDLSA-N 2 2 338.477 1.253 20 0 EDADLP C[C@H]1C[N@H+]([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)c2cccs2)CCO1 ZINC000417839467 251294427 /nfs/dbraw/zinc/29/44/27/251294427.db2.gz WOEVDZAXOIHUEO-MJBXVCDLSA-N 2 2 338.477 1.253 20 0 EDADLP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCCCC[NH3+])c2cccs2)CCO1 ZINC000417814794 251280296 /nfs/dbraw/zinc/28/02/96/251280296.db2.gz HTCMKQLXLWGUFJ-KGLIPLIRSA-N 2 2 340.493 1.548 20 0 EDADLP C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCCCC[NH3+])c2cccs2)CCO1 ZINC000417814794 251280301 /nfs/dbraw/zinc/28/03/01/251280301.db2.gz HTCMKQLXLWGUFJ-KGLIPLIRSA-N 2 2 340.493 1.548 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000262621227 139290790 /nfs/dbraw/zinc/29/07/90/139290790.db2.gz FBKWXRJLACYHFM-ZOBUZTSGSA-N 2 2 333.476 1.999 20 0 EDADLP COCCOc1cc(C)ccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422871848 252006649 /nfs/dbraw/zinc/00/66/49/252006649.db2.gz ZWSFZIPNLMALQS-RBUKOAKNSA-N 2 2 334.460 1.877 20 0 EDADLP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000423154277 252039115 /nfs/dbraw/zinc/03/91/15/252039115.db2.gz JFPICOHOTZKHLY-TZMCWYRMSA-N 2 2 327.266 1.860 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)cc[nH+]1 ZINC000423785287 252072304 /nfs/dbraw/zinc/07/23/04/252072304.db2.gz RKNUXQRAGNWFDH-JYJNAYRXSA-N 2 2 329.448 1.354 20 0 EDADLP FC(F)(F)c1ccc(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1 ZINC000422991080 252021978 /nfs/dbraw/zinc/02/19/78/252021978.db2.gz PEDBPDAIOWKFEB-ZFWWWQNUSA-N 2 2 345.365 1.836 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423838765 252087405 /nfs/dbraw/zinc/08/74/05/252087405.db2.gz XVMSIOKZDJAUOP-WBVHZDCISA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423838765 252087407 /nfs/dbraw/zinc/08/74/07/252087407.db2.gz XVMSIOKZDJAUOP-WBVHZDCISA-N 2 2 339.386 1.205 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(C)(C)C[NH3+])c2)CC1 ZINC000423855186 252092027 /nfs/dbraw/zinc/09/20/27/252092027.db2.gz YQUWNQGDDLOMMH-UHFFFAOYSA-N 2 2 332.448 1.274 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000423793996 252076967 /nfs/dbraw/zinc/07/69/67/252076967.db2.gz CXKQAFLMSLDUBS-CRAIPNDOSA-N 2 2 338.455 1.916 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2)C[NH+]1CCCCC1 ZINC000424159480 252149181 /nfs/dbraw/zinc/14/91/81/252149181.db2.gz SXYVLKPVYDRAOO-ZDUSSCGKSA-N 2 2 328.359 1.945 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1F ZINC000263020325 139318168 /nfs/dbraw/zinc/31/81/68/139318168.db2.gz QVDMAPPAPFGYEU-ZDUSSCGKSA-N 2 2 338.333 1.933 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000415733934 304262445 /nfs/dbraw/zinc/26/24/45/304262445.db2.gz XKVSPKIYUVWYBF-ZDUSSCGKSA-N 2 2 342.399 1.845 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000154483374 224260024 /nfs/dbraw/zinc/26/00/24/224260024.db2.gz ZIBDALZQCACOFW-AEFFLSMTSA-N 2 2 346.475 1.138 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000154483374 224260027 /nfs/dbraw/zinc/26/00/27/224260027.db2.gz ZIBDALZQCACOFW-AEFFLSMTSA-N 2 2 346.475 1.138 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000490748109 255104890 /nfs/dbraw/zinc/10/48/90/255104890.db2.gz XTSZXDFXRDCPLC-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000490748109 255104892 /nfs/dbraw/zinc/10/48/92/255104892.db2.gz XTSZXDFXRDCPLC-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000490748109 255104894 /nfs/dbraw/zinc/10/48/94/255104894.db2.gz XTSZXDFXRDCPLC-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000490748109 255104896 /nfs/dbraw/zinc/10/48/96/255104896.db2.gz XTSZXDFXRDCPLC-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N(CCCOC)C1CC[NH+](C)CC1 ZINC000493341025 255205313 /nfs/dbraw/zinc/20/53/13/255205313.db2.gz UMJROPFASRPGIG-VOTSOKGWSA-N 2 2 334.464 1.876 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)CCO1 ZINC000494688399 255258023 /nfs/dbraw/zinc/25/80/23/255258023.db2.gz HWZMWKPNMMWWPS-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)CCO1 ZINC000494688399 255258024 /nfs/dbraw/zinc/25/80/24/255258024.db2.gz HWZMWKPNMMWWPS-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000494688399 255258025 /nfs/dbraw/zinc/25/80/25/255258025.db2.gz HWZMWKPNMMWWPS-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000494688399 255258026 /nfs/dbraw/zinc/25/80/26/255258026.db2.gz HWZMWKPNMMWWPS-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CN(C[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)C(=O)OC(C)(C)C ZINC000496313105 255379550 /nfs/dbraw/zinc/37/95/50/255379550.db2.gz ZUZABMZOHKBIDI-KBPBESRZSA-N 2 2 338.452 1.437 20 0 EDADLP CN(C[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)C(=O)OC(C)(C)C ZINC000496313105 255379551 /nfs/dbraw/zinc/37/95/51/255379551.db2.gz ZUZABMZOHKBIDI-KBPBESRZSA-N 2 2 338.452 1.437 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496218595 255365925 /nfs/dbraw/zinc/36/59/25/255365925.db2.gz UVBPQPWWPKQVKR-RYQLBKOJSA-N 2 2 347.459 1.754 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117790559 221090127 /nfs/dbraw/zinc/09/01/27/221090127.db2.gz CRHWGTWHHAEJRB-KRWDZBQOSA-N 2 2 328.416 1.713 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117790559 221090129 /nfs/dbraw/zinc/09/01/29/221090129.db2.gz CRHWGTWHHAEJRB-KRWDZBQOSA-N 2 2 328.416 1.713 20 0 EDADLP CCOc1ccnc(N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)n1 ZINC000119462401 221326205 /nfs/dbraw/zinc/32/62/05/221326205.db2.gz YUDWJULXELCOLN-UHFFFAOYSA-N 2 2 333.480 1.873 20 0 EDADLP CCOc1ccnc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)n1 ZINC000119462401 221326209 /nfs/dbraw/zinc/32/62/09/221326209.db2.gz YUDWJULXELCOLN-UHFFFAOYSA-N 2 2 333.480 1.873 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000119601344 221357555 /nfs/dbraw/zinc/35/75/55/221357555.db2.gz HUWGXZJEUFSIOC-UHFFFAOYSA-N 2 2 332.404 1.116 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCCO[C@H]3CCOC3)c12 ZINC000119703288 221381252 /nfs/dbraw/zinc/38/12/52/221381252.db2.gz IFTOCIPQLUQEIN-AWEZNQCLSA-N 2 2 340.387 1.818 20 0 EDADLP Cn1cc(I)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000570646528 306547553 /nfs/dbraw/zinc/54/75/53/306547553.db2.gz IUEMXNVWRXNMEZ-IUCAKERBSA-N 2 2 334.205 1.384 20 0 EDADLP Cc1cc(NC(=O)N(CC[NH3+])CCO)c[nH+]c1N1CCCC[C@H]1C ZINC000415427456 291951120 /nfs/dbraw/zinc/95/11/20/291951120.db2.gz BTNOHTNJSIPGGS-CQSZACIVSA-N 2 2 335.452 1.554 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000264244399 139389671 /nfs/dbraw/zinc/38/96/71/139389671.db2.gz XPFGEMYDHQKKOY-UHFFFAOYSA-N 2 2 333.461 1.552 20 0 EDADLP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)[nH+]c1 ZINC000262052738 285481353 /nfs/dbraw/zinc/48/13/53/285481353.db2.gz ZVPZYOBPODESIY-RCCFBDPRSA-N 3 2 330.476 1.797 20 0 EDADLP Cn1c2ccccc2[nH+]c1N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000270615016 140134723 /nfs/dbraw/zinc/13/47/23/140134723.db2.gz ZBHKLQDEYOYPQM-UHFFFAOYSA-N 2 2 341.459 1.564 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000270898760 140193298 /nfs/dbraw/zinc/19/32/98/140193298.db2.gz QNSXOCRFCABGFW-UHFFFAOYSA-N 2 2 330.436 1.067 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000270973209 140211105 /nfs/dbraw/zinc/21/11/05/140211105.db2.gz UEKMPJYMTDYBNP-INIZCTEOSA-N 2 2 347.459 1.426 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)CCc1ccccc1 ZINC000271004203 140218675 /nfs/dbraw/zinc/21/86/75/140218675.db2.gz MBASVUBBCGVBCR-LJQANCHMSA-N 2 2 347.503 1.465 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)CCc1ccccc1 ZINC000271004203 140218676 /nfs/dbraw/zinc/21/86/76/140218676.db2.gz MBASVUBBCGVBCR-LJQANCHMSA-N 2 2 347.503 1.465 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000271317255 140277103 /nfs/dbraw/zinc/27/71/03/140277103.db2.gz NHJZUBOUCHEOJI-OAHLLOKOSA-N 2 2 341.415 1.062 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)C[NH+]3CCCCC3)ccc2[nH+]1 ZINC000271526524 140307475 /nfs/dbraw/zinc/30/74/75/140307475.db2.gz DSGRKUDQVBQJQP-ZDUSSCGKSA-N 2 2 343.431 1.572 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000332061885 141116701 /nfs/dbraw/zinc/11/67/01/141116701.db2.gz YZDKRVAZFTUBCE-MRXNPFEDSA-N 2 2 340.512 1.205 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc(C)[nH+]1 ZINC000332083025 141119371 /nfs/dbraw/zinc/11/93/71/141119371.db2.gz BAEONCLQPFGSER-HOCLYGCPSA-N 2 2 330.432 1.010 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc(C)[nH+]1 ZINC000332083025 141119373 /nfs/dbraw/zinc/11/93/73/141119373.db2.gz BAEONCLQPFGSER-HOCLYGCPSA-N 2 2 330.432 1.010 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000332961536 141246756 /nfs/dbraw/zinc/24/67/56/141246756.db2.gz SHETVVXZKJBCCE-JKSUJKDBSA-N 2 2 348.495 1.293 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000332961536 141246758 /nfs/dbraw/zinc/24/67/58/141246758.db2.gz SHETVVXZKJBCCE-JKSUJKDBSA-N 2 2 348.495 1.293 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000333111592 141265939 /nfs/dbraw/zinc/26/59/39/141265939.db2.gz XRZFBGNBFBGWMH-OAGGEKHMSA-N 2 2 332.448 1.015 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333298941 141295028 /nfs/dbraw/zinc/29/50/28/141295028.db2.gz IQXCTROSVNHOKI-IAGOWNOFSA-N 2 2 343.475 1.823 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000333320978 141298892 /nfs/dbraw/zinc/29/88/92/141298892.db2.gz UMNBKYMYZLOCOP-HOCLYGCPSA-N 2 2 346.475 1.906 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000333331914 141300837 /nfs/dbraw/zinc/30/08/37/141300837.db2.gz WIUYTIWTKKRFDN-GDBMZVCRSA-N 2 2 331.464 1.288 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000333331914 141300838 /nfs/dbraw/zinc/30/08/38/141300838.db2.gz WIUYTIWTKKRFDN-GDBMZVCRSA-N 2 2 331.464 1.288 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCC[NH+]3CCC(C)CC3)nc[nH+]2)C1 ZINC000333690765 141358896 /nfs/dbraw/zinc/35/88/96/141358896.db2.gz AXYANCBIPOQRRE-CVEARBPZSA-N 2 2 333.480 1.828 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN1C ZINC000333803432 141384542 /nfs/dbraw/zinc/38/45/42/141384542.db2.gz IFFHIPUPFBCDDU-JYJNAYRXSA-N 2 2 348.495 1.183 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)s1 ZINC000333874929 141399578 /nfs/dbraw/zinc/39/95/78/141399578.db2.gz VESRNRSSZJSAGZ-OCCSQVGLSA-N 2 2 337.493 1.419 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC000416445891 304319149 /nfs/dbraw/zinc/31/91/49/304319149.db2.gz NFLDBAAKTPFUKF-DLBZAZTESA-N 2 2 345.422 1.939 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000339367664 142028711 /nfs/dbraw/zinc/02/87/11/142028711.db2.gz HEDGVOQVVQKZRK-UHFFFAOYSA-N 2 2 349.479 1.520 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000339368099 142028720 /nfs/dbraw/zinc/02/87/20/142028720.db2.gz NZJSZHHRYHSLPL-UHFFFAOYSA-N 2 2 331.464 1.989 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000339536199 142069469 /nfs/dbraw/zinc/06/94/69/142069469.db2.gz HFZYBSBAUJHBCK-NVXWUHKLSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C[C@H](C)O1 ZINC000339539883 142071011 /nfs/dbraw/zinc/07/10/11/142071011.db2.gz IXIKIORNCBBMEV-OWCLPIDISA-N 2 2 349.479 1.418 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C[C@H](C)O1 ZINC000339539883 142071014 /nfs/dbraw/zinc/07/10/14/142071014.db2.gz IXIKIORNCBBMEV-OWCLPIDISA-N 2 2 349.479 1.418 20 0 EDADLP COc1cc(C)[nH+]c(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000339547014 142073537 /nfs/dbraw/zinc/07/35/37/142073537.db2.gz ZJNDIFXOKOHPFN-LJQANCHMSA-N 2 2 341.455 1.907 20 0 EDADLP COc1cc(C)[nH+]c(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000339547014 142073538 /nfs/dbraw/zinc/07/35/38/142073538.db2.gz ZJNDIFXOKOHPFN-LJQANCHMSA-N 2 2 341.455 1.907 20 0 EDADLP CCC(CC)[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[NH+]1CCCC1 ZINC000339711517 142129368 /nfs/dbraw/zinc/12/93/68/142129368.db2.gz VBMXRBUKAOPJFU-INIZCTEOSA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)OCCCN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340252939 142320711 /nfs/dbraw/zinc/32/07/11/142320711.db2.gz PZHFQTWHEACNGH-UHFFFAOYSA-N 2 2 328.501 1.469 20 0 EDADLP C[C@H]1CN(C(=O)CCc2cncs2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000344918012 143026760 /nfs/dbraw/zinc/02/67/60/143026760.db2.gz BZLFQZJOMIGOOB-AWEZNQCLSA-N 2 2 336.505 1.703 20 0 EDADLP C[C@H]1CN(C(=O)CCc2cncs2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000344918012 143026761 /nfs/dbraw/zinc/02/67/61/143026761.db2.gz BZLFQZJOMIGOOB-AWEZNQCLSA-N 2 2 336.505 1.703 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000345094606 143049413 /nfs/dbraw/zinc/04/94/13/143049413.db2.gz BIIWVEYEHPJYMY-OAHLLOKOSA-N 2 2 335.452 1.281 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[N@@H+]1C ZINC000345319951 143077334 /nfs/dbraw/zinc/07/73/34/143077334.db2.gz MQRSBGDLQGOEES-QFBILLFUSA-N 2 2 344.503 1.647 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[N@H+]1C ZINC000345319951 143077335 /nfs/dbraw/zinc/07/73/35/143077335.db2.gz MQRSBGDLQGOEES-QFBILLFUSA-N 2 2 344.503 1.647 20 0 EDADLP C[C@@H]1CN(c2nccn(C3CC3)c2=O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000346259199 143184404 /nfs/dbraw/zinc/18/44/04/143184404.db2.gz JLDIZLPRJSTDRE-CQSZACIVSA-N 2 2 331.464 1.183 20 0 EDADLP C[C@@H]1CN(c2nccn(C3CC3)c2=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000346259199 143184405 /nfs/dbraw/zinc/18/44/05/143184405.db2.gz JLDIZLPRJSTDRE-CQSZACIVSA-N 2 2 331.464 1.183 20 0 EDADLP OC[C@H]1C[C@H](F)C[N@@H+]1Cc1cccc(C[NH+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000346366817 143197263 /nfs/dbraw/zinc/19/72/63/143197263.db2.gz GHMCXXSZBWNNPN-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP OC[C@H]1C[C@H](F)C[N@H+]1Cc1cccc(C[NH+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000346366817 143197264 /nfs/dbraw/zinc/19/72/64/143197264.db2.gz GHMCXXSZBWNNPN-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP OC[C@H]1C[C@H](F)C[NH+]1Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000346366817 143197265 /nfs/dbraw/zinc/19/72/65/143197265.db2.gz GHMCXXSZBWNNPN-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP OC[C@H]1C[C@H](F)C[NH+]1Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000346366817 143197266 /nfs/dbraw/zinc/19/72/66/143197266.db2.gz GHMCXXSZBWNNPN-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP C[C@@H]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@@H]1C[NH3+] ZINC000423994543 296542504 /nfs/dbraw/zinc/54/25/04/296542504.db2.gz IOSOBNRFVOYZEZ-WBVHZDCISA-N 2 2 331.460 1.576 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000346455388 143206615 /nfs/dbraw/zinc/20/66/15/143206615.db2.gz UUPABKCYPXHOLF-JKSUJKDBSA-N 2 2 331.464 1.704 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000346455388 143206616 /nfs/dbraw/zinc/20/66/16/143206616.db2.gz UUPABKCYPXHOLF-JKSUJKDBSA-N 2 2 331.464 1.704 20 0 EDADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000346469497 143208175 /nfs/dbraw/zinc/20/81/75/143208175.db2.gz YUDAAHBOMABNQS-BRWVUGGUSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000346469497 143208176 /nfs/dbraw/zinc/20/81/76/143208176.db2.gz YUDAAHBOMABNQS-BRWVUGGUSA-N 2 2 346.475 1.069 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2cn3ccc(C)cc3[nH+]2)[N@H+](C)C1 ZINC000346733698 143239380 /nfs/dbraw/zinc/23/93/80/143239380.db2.gz UVNCPXBWXQZTSY-HZPDHXFCSA-N 2 2 345.447 1.503 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2cn3ccc(C)cc3[nH+]2)[N@@H+](C)C1 ZINC000346733698 143239381 /nfs/dbraw/zinc/23/93/81/143239381.db2.gz UVNCPXBWXQZTSY-HZPDHXFCSA-N 2 2 345.447 1.503 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000347109566 143283537 /nfs/dbraw/zinc/28/35/37/143283537.db2.gz NPMUHVBIERPQCU-FFGOWVMKSA-N 2 2 344.503 1.745 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000347109566 143283538 /nfs/dbraw/zinc/28/35/38/143283538.db2.gz NPMUHVBIERPQCU-FFGOWVMKSA-N 2 2 344.503 1.745 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000347145548 143287438 /nfs/dbraw/zinc/28/74/38/143287438.db2.gz LGSNUSDHALKYAP-GRDNDAEWSA-N 2 2 339.505 1.928 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000347145548 143287439 /nfs/dbraw/zinc/28/74/39/143287439.db2.gz LGSNUSDHALKYAP-GRDNDAEWSA-N 2 2 339.505 1.928 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)CC1 ZINC000347348946 143311545 /nfs/dbraw/zinc/31/15/45/143311545.db2.gz UUKDCVBCWJFPIZ-HOTGVXAUSA-N 2 2 349.500 1.261 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)CC1 ZINC000347348946 143311546 /nfs/dbraw/zinc/31/15/46/143311546.db2.gz UUKDCVBCWJFPIZ-HOTGVXAUSA-N 2 2 349.500 1.261 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000347677504 143348539 /nfs/dbraw/zinc/34/85/39/143348539.db2.gz MYWHVZKSMJNMPX-OAHLLOKOSA-N 2 2 325.840 1.127 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCC[N@@H+]1C ZINC000347821049 143367021 /nfs/dbraw/zinc/36/70/21/143367021.db2.gz RBDFIAVOFOSFJZ-BMFZPTHFSA-N 2 2 349.479 1.670 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CCC[N@H+]1C ZINC000347821049 143367022 /nfs/dbraw/zinc/36/70/22/143367022.db2.gz RBDFIAVOFOSFJZ-BMFZPTHFSA-N 2 2 349.479 1.670 20 0 EDADLP COC1(C[NH2+]C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)CCOCC1 ZINC000354877929 292122204 /nfs/dbraw/zinc/12/22/04/292122204.db2.gz YXFRXYWSJVUULY-HUUCEWRRSA-N 2 2 340.443 1.118 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369841223 155198598 /nfs/dbraw/zinc/19/85/98/155198598.db2.gz DGCZUYGZDWLTQE-CVEARBPZSA-N 2 2 349.479 1.280 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369841225 155199497 /nfs/dbraw/zinc/19/94/97/155199497.db2.gz DGCZUYGZDWLTQE-HZPDHXFCSA-N 2 2 349.479 1.280 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCCN2C(=O)CNC2=O)[nH+]1 ZINC000369900325 155222577 /nfs/dbraw/zinc/22/25/77/155222577.db2.gz NDLWWSONYLXRPE-AWEZNQCLSA-N 2 2 331.420 1.208 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCCN2C(=O)CNC2=O)[nH+]1 ZINC000369900325 155222579 /nfs/dbraw/zinc/22/25/79/155222579.db2.gz NDLWWSONYLXRPE-AWEZNQCLSA-N 2 2 331.420 1.208 20 0 EDADLP CCN1CC[N@H+](CCOCCN2CC[NH+](CC)C[C@H]2C)[C@H](C)C1 ZINC000352657366 149103689 /nfs/dbraw/zinc/10/36/89/149103689.db2.gz ABDRTVABISPOOQ-QZTJIDSGSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[N@@H+](CCOCCN2CC[NH+](CC)C[C@H]2C)[C@H](C)C1 ZINC000352657366 149103692 /nfs/dbraw/zinc/10/36/92/149103692.db2.gz ABDRTVABISPOOQ-QZTJIDSGSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[NH+](CCOCCN2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000352657366 149103695 /nfs/dbraw/zinc/10/36/95/149103695.db2.gz ABDRTVABISPOOQ-QZTJIDSGSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[NH+](CCOCCN2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000352657366 149103699 /nfs/dbraw/zinc/10/36/99/149103699.db2.gz ABDRTVABISPOOQ-QZTJIDSGSA-N 2 2 326.529 1.055 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCNS(C)(=O)=O ZINC000369906253 155225631 /nfs/dbraw/zinc/22/56/31/155225631.db2.gz OABGEQIEYGDHKY-DOTOQJQBSA-N 2 2 339.505 1.378 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCNS(C)(=O)=O ZINC000369906253 155225633 /nfs/dbraw/zinc/22/56/33/155225633.db2.gz OABGEQIEYGDHKY-DOTOQJQBSA-N 2 2 339.505 1.378 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCNS(C)(=O)=O ZINC000369906253 155225634 /nfs/dbraw/zinc/22/56/34/155225634.db2.gz OABGEQIEYGDHKY-DOTOQJQBSA-N 2 2 339.505 1.378 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCNS(C)(=O)=O ZINC000369906253 155225636 /nfs/dbraw/zinc/22/56/36/155225636.db2.gz OABGEQIEYGDHKY-DOTOQJQBSA-N 2 2 339.505 1.378 20 0 EDADLP CC(C)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCO1 ZINC000353024314 149257876 /nfs/dbraw/zinc/25/78/76/149257876.db2.gz ZTLRJYJHKYKWHV-QCLGFWRNSA-N 2 2 337.508 1.863 20 0 EDADLP CC(C)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCO1 ZINC000353024314 149257879 /nfs/dbraw/zinc/25/78/79/149257879.db2.gz ZTLRJYJHKYKWHV-QCLGFWRNSA-N 2 2 337.508 1.863 20 0 EDADLP Cc1cccn2c(C[NH2+]C[C@H](N3CCOCC3)C(F)(F)F)c[nH+]c12 ZINC000353061126 149270869 /nfs/dbraw/zinc/27/08/69/149270869.db2.gz FBHANWMOZVWISY-AWEZNQCLSA-N 2 2 342.365 1.995 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000369923891 155234618 /nfs/dbraw/zinc/23/46/18/155234618.db2.gz AKUSXEMSVRUNQK-JKSUJKDBSA-N 2 2 343.537 1.241 20 0 EDADLP Cc1ncsc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000353355712 149377477 /nfs/dbraw/zinc/37/74/77/149377477.db2.gz RFYVHHDGXSHEHQ-INIZCTEOSA-N 2 2 338.521 1.678 20 0 EDADLP Cc1ncsc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000353355712 149377480 /nfs/dbraw/zinc/37/74/80/149377480.db2.gz RFYVHHDGXSHEHQ-INIZCTEOSA-N 2 2 338.521 1.678 20 0 EDADLP CCOCCO[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354976663 286106929 /nfs/dbraw/zinc/10/69/29/286106929.db2.gz NKAKPQOTHXSWOG-HOTGVXAUSA-N 2 2 341.496 1.055 20 0 EDADLP CCOCCO[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354976663 286106931 /nfs/dbraw/zinc/10/69/31/286106931.db2.gz NKAKPQOTHXSWOG-HOTGVXAUSA-N 2 2 341.496 1.055 20 0 EDADLP CCOCC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000375726886 286125092 /nfs/dbraw/zinc/12/50/92/286125092.db2.gz ZBUXUEZHNYHJAD-CGTJXYLNSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000375726886 286125093 /nfs/dbraw/zinc/12/50/93/286125093.db2.gz ZBUXUEZHNYHJAD-CGTJXYLNSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000375726886 286125095 /nfs/dbraw/zinc/12/50/95/286125095.db2.gz ZBUXUEZHNYHJAD-CGTJXYLNSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000375726886 286125097 /nfs/dbraw/zinc/12/50/97/286125097.db2.gz ZBUXUEZHNYHJAD-CGTJXYLNSA-N 2 2 338.496 1.522 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C[NH3+])c[nH+]2)CC1 ZINC000416972279 304358396 /nfs/dbraw/zinc/35/83/96/304358396.db2.gz FUESNGFZLQSKHB-MRXNPFEDSA-N 2 2 331.464 1.951 20 0 EDADLP Cn1cncc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1c[nH+]cn1C)CC2 ZINC000369948187 155248971 /nfs/dbraw/zinc/24/89/71/155248971.db2.gz KZVBRENLECEXIW-UHFFFAOYSA-N 3 2 328.464 1.642 20 0 EDADLP Cn1cncc1C[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH+]cn1C)CC2 ZINC000369948187 155248974 /nfs/dbraw/zinc/24/89/74/155248974.db2.gz KZVBRENLECEXIW-UHFFFAOYSA-N 3 2 328.464 1.642 20 0 EDADLP C[C@@H]1CN(C(=O)COc2cccc(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354983562 150065142 /nfs/dbraw/zinc/06/51/42/150065142.db2.gz KFUIKDGRSVIELL-OAHLLOKOSA-N 2 2 349.450 1.831 20 0 EDADLP C[C@@H]1CN(C(=O)COc2cccc(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354983562 150065144 /nfs/dbraw/zinc/06/51/44/150065144.db2.gz KFUIKDGRSVIELL-OAHLLOKOSA-N 2 2 349.450 1.831 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354988671 150067284 /nfs/dbraw/zinc/06/72/84/150067284.db2.gz ZRFWNDLIZJLXEV-HOTGVXAUSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354988671 150067285 /nfs/dbraw/zinc/06/72/85/150067285.db2.gz ZRFWNDLIZJLXEV-HOTGVXAUSA-N 2 2 346.475 1.476 20 0 EDADLP CCc1c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccn1C ZINC000355268008 150192159 /nfs/dbraw/zinc/19/21/59/150192159.db2.gz PCLHIARMVPCADE-SJPCQFCGSA-N 2 2 344.503 1.971 20 0 EDADLP CCc1c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccn1C ZINC000355268008 150192161 /nfs/dbraw/zinc/19/21/61/150192161.db2.gz PCLHIARMVPCADE-SJPCQFCGSA-N 2 2 344.503 1.971 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000355555937 150312555 /nfs/dbraw/zinc/31/25/55/150312555.db2.gz OSFNQDKCIJAEHA-JKSUJKDBSA-N 2 2 328.416 1.094 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000355555937 150312556 /nfs/dbraw/zinc/31/25/56/150312556.db2.gz OSFNQDKCIJAEHA-JKSUJKDBSA-N 2 2 328.416 1.094 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000357480974 151044313 /nfs/dbraw/zinc/04/43/13/151044313.db2.gz HZOUSQSAHYSITO-QGZVFWFLSA-N 2 2 346.475 1.646 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000357480974 151044315 /nfs/dbraw/zinc/04/43/15/151044315.db2.gz HZOUSQSAHYSITO-QGZVFWFLSA-N 2 2 346.475 1.646 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000357494469 151047871 /nfs/dbraw/zinc/04/78/71/151047871.db2.gz GZQRCUDIGIKEBB-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000357494469 151047873 /nfs/dbraw/zinc/04/78/73/151047873.db2.gz GZQRCUDIGIKEBB-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000357494469 151047874 /nfs/dbraw/zinc/04/78/74/151047874.db2.gz GZQRCUDIGIKEBB-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000357494469 151047875 /nfs/dbraw/zinc/04/78/75/151047875.db2.gz GZQRCUDIGIKEBB-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP CCOCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000357549979 151064225 /nfs/dbraw/zinc/06/42/25/151064225.db2.gz GDJMOBVBOOODLX-KRWDZBQOSA-N 2 2 333.476 1.860 20 0 EDADLP CCOCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000357549979 151064226 /nfs/dbraw/zinc/06/42/26/151064226.db2.gz GDJMOBVBOOODLX-KRWDZBQOSA-N 2 2 333.476 1.860 20 0 EDADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649670 151101301 /nfs/dbraw/zinc/10/13/01/151101301.db2.gz OHEXQYQPFBPXDF-KRWDZBQOSA-N 2 2 347.503 1.730 20 0 EDADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649670 151101303 /nfs/dbraw/zinc/10/13/03/151101303.db2.gz OHEXQYQPFBPXDF-KRWDZBQOSA-N 2 2 347.503 1.730 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000357721469 151125280 /nfs/dbraw/zinc/12/52/80/151125280.db2.gz LHFHXMRZOMOXKH-HOCLYGCPSA-N 2 2 342.505 1.403 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000357721469 151125281 /nfs/dbraw/zinc/12/52/81/151125281.db2.gz LHFHXMRZOMOXKH-HOCLYGCPSA-N 2 2 342.505 1.403 20 0 EDADLP O=C1[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCCN1c1ccccc1 ZINC000357779471 151149090 /nfs/dbraw/zinc/14/90/90/151149090.db2.gz JXDDNXSLQSLKTQ-MJGOQNOKSA-N 2 2 343.471 1.836 20 0 EDADLP O=C1[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCCN1c1ccccc1 ZINC000357779471 151149091 /nfs/dbraw/zinc/14/90/91/151149091.db2.gz JXDDNXSLQSLKTQ-MJGOQNOKSA-N 2 2 343.471 1.836 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3ncccn3)C2)CCC[N@@H+]1C ZINC000357927493 151199732 /nfs/dbraw/zinc/19/97/32/151199732.db2.gz IZLVWHMURRLLAW-OAGGEKHMSA-N 2 2 346.479 1.175 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3ncccn3)C2)CCC[N@H+]1C ZINC000357927493 151199734 /nfs/dbraw/zinc/19/97/34/151199734.db2.gz IZLVWHMURRLLAW-OAGGEKHMSA-N 2 2 346.479 1.175 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)CCC[NH+]1C ZINC000357927493 151199737 /nfs/dbraw/zinc/19/97/37/151199737.db2.gz IZLVWHMURRLLAW-OAGGEKHMSA-N 2 2 346.479 1.175 20 0 EDADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358147540 151287486 /nfs/dbraw/zinc/28/74/86/151287486.db2.gz FDHSFDLDWKZHIT-SQNIBIBYSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358163212 151292573 /nfs/dbraw/zinc/29/25/73/151292573.db2.gz IPYOYASLEXMCSP-SFHVURJKSA-N 2 2 332.423 1.784 20 0 EDADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358163212 151292575 /nfs/dbraw/zinc/29/25/75/151292575.db2.gz IPYOYASLEXMCSP-SFHVURJKSA-N 2 2 332.423 1.784 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358448329 151379137 /nfs/dbraw/zinc/37/91/37/151379137.db2.gz DMWFQJHYESOYGI-QGZVFWFLSA-N 2 2 329.404 1.275 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358448329 151379141 /nfs/dbraw/zinc/37/91/41/151379141.db2.gz DMWFQJHYESOYGI-QGZVFWFLSA-N 2 2 329.404 1.275 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@]23CCOC3)([NH+]2CCCCC2)CC1 ZINC000359332122 151685746 /nfs/dbraw/zinc/68/57/46/151685746.db2.gz OAZXJGOVPHKBOR-SJLPKXTDSA-N 2 2 335.492 1.480 20 0 EDADLP COC[C@@H](C)[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000360396479 152020406 /nfs/dbraw/zinc/02/04/06/152020406.db2.gz RMXOASYDRHVZBO-WXCOAYGQSA-N 2 2 337.508 1.674 20 0 EDADLP COC[C@@H](C)[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000360396479 152020408 /nfs/dbraw/zinc/02/04/08/152020408.db2.gz RMXOASYDRHVZBO-WXCOAYGQSA-N 2 2 337.508 1.674 20 0 EDADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000360417133 152031226 /nfs/dbraw/zinc/03/12/26/152031226.db2.gz QQDZQLBBLWGTJK-GLJUWKHASA-N 2 2 331.460 1.945 20 0 EDADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000360417133 152031230 /nfs/dbraw/zinc/03/12/30/152031230.db2.gz QQDZQLBBLWGTJK-GLJUWKHASA-N 2 2 331.460 1.945 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000360534794 152084367 /nfs/dbraw/zinc/08/43/67/152084367.db2.gz KFKYBBFPXXFPQE-IBGZPJMESA-N 2 2 346.450 1.160 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000360534794 152084369 /nfs/dbraw/zinc/08/43/69/152084369.db2.gz KFKYBBFPXXFPQE-IBGZPJMESA-N 2 2 346.450 1.160 20 0 EDADLP C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000370121235 155334805 /nfs/dbraw/zinc/33/48/05/155334805.db2.gz LNFSNTWCSQZSGS-MAUKXSAKSA-N 2 2 331.460 1.541 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCCOc1cccc(Cl)c1 ZINC000360563667 152098312 /nfs/dbraw/zinc/09/83/12/152098312.db2.gz PGZJMFXPTLBSSX-KRWDZBQOSA-N 2 2 337.851 1.520 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCCOc1cccc(Cl)c1 ZINC000360563667 152098316 /nfs/dbraw/zinc/09/83/16/152098316.db2.gz PGZJMFXPTLBSSX-KRWDZBQOSA-N 2 2 337.851 1.520 20 0 EDADLP COc1ccc(C2=CC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000360827130 152222311 /nfs/dbraw/zinc/22/23/11/152222311.db2.gz BNPICRFPUCVWAN-UHFFFAOYSA-N 2 2 329.444 1.558 20 0 EDADLP COc1ccc(C2=CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000360827130 152222313 /nfs/dbraw/zinc/22/23/13/152222313.db2.gz BNPICRFPUCVWAN-UHFFFAOYSA-N 2 2 329.444 1.558 20 0 EDADLP CCCC[C@H](COC)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000360933435 152256521 /nfs/dbraw/zinc/25/65/21/152256521.db2.gz OXPNHNPWFJPSRO-QGZVFWFLSA-N 2 2 348.491 1.915 20 0 EDADLP COC[C@H](CC(C)C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000360940581 152259095 /nfs/dbraw/zinc/25/90/95/152259095.db2.gz FUYXNFXIWQDQJQ-KRWDZBQOSA-N 2 2 348.491 1.771 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2cccc(OC)n2)CC1 ZINC000360975038 152268083 /nfs/dbraw/zinc/26/80/83/152268083.db2.gz MTMWKNLZVIRLFY-UHFFFAOYSA-N 2 2 335.448 1.640 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000361137607 152317905 /nfs/dbraw/zinc/31/79/05/152317905.db2.gz ZKBWAHWYVHHRME-MRXNPFEDSA-N 2 2 332.444 1.867 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC2)CC1 ZINC000363566036 153002580 /nfs/dbraw/zinc/00/25/80/153002580.db2.gz LLEDMILFCGLYHZ-QGZVFWFLSA-N 2 2 338.540 1.734 20 0 EDADLP CCCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363709023 153036751 /nfs/dbraw/zinc/03/67/51/153036751.db2.gz BNBLJLYWTJTYDK-ARFHVFGLSA-N 2 2 332.510 1.290 20 0 EDADLP CCCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363709023 153036755 /nfs/dbraw/zinc/03/67/55/153036755.db2.gz BNBLJLYWTJTYDK-ARFHVFGLSA-N 2 2 332.510 1.290 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O)c1ccccc1 ZINC000363817581 153066298 /nfs/dbraw/zinc/06/62/98/153066298.db2.gz JSNBPVHZDGMRKW-SJORKVTESA-N 2 2 346.475 1.006 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O)c1ccccc1 ZINC000363817581 153066300 /nfs/dbraw/zinc/06/63/00/153066300.db2.gz JSNBPVHZDGMRKW-SJORKVTESA-N 2 2 346.475 1.006 20 0 EDADLP C[C@@H]1CCC[N@@H+]1C1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000363993112 153117016 /nfs/dbraw/zinc/11/70/16/153117016.db2.gz BSAPOKUKAPAYRT-OAHLLOKOSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@@H]1CCC[N@H+]1C1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000363993112 153117021 /nfs/dbraw/zinc/11/70/21/153117021.db2.gz BSAPOKUKAPAYRT-OAHLLOKOSA-N 2 2 331.464 1.766 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000364168522 153161340 /nfs/dbraw/zinc/16/13/40/153161340.db2.gz QTXVDUBNDQNTDM-INIZCTEOSA-N 2 2 349.479 1.342 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCO[C@@H](C[NH3+])C3)cn2c1 ZINC000364198322 153170870 /nfs/dbraw/zinc/17/08/70/153170870.db2.gz YNGJQPQTOXNZJT-AWEZNQCLSA-N 2 2 334.445 1.062 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[NH+]1CCOCC1 ZINC000364294221 153198690 /nfs/dbraw/zinc/19/86/90/153198690.db2.gz DYNOZBMWFPNUTD-QGZVFWFLSA-N 2 2 349.479 1.656 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[NH+]1CCOCC1 ZINC000364294221 153198695 /nfs/dbraw/zinc/19/86/95/153198695.db2.gz DYNOZBMWFPNUTD-QGZVFWFLSA-N 2 2 349.479 1.656 20 0 EDADLP [NH3+]CCCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417217211 304385249 /nfs/dbraw/zinc/38/52/49/304385249.db2.gz KBENCZZJOUIWSW-UHFFFAOYSA-N 2 2 340.225 1.635 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NCc2c[nH+]c3n2CCCC3)C[C@@H](C)O1 ZINC000367073204 154000633 /nfs/dbraw/zinc/00/06/33/154000633.db2.gz JGVJTWCNFAKVBE-HUUCEWRRSA-N 2 2 349.479 1.518 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367273128 154061866 /nfs/dbraw/zinc/06/18/66/154061866.db2.gz AJQUMYRFCXONIR-AEFFLSMTSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367273128 154061868 /nfs/dbraw/zinc/06/18/68/154061868.db2.gz AJQUMYRFCXONIR-AEFFLSMTSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367273128 154061869 /nfs/dbraw/zinc/06/18/69/154061869.db2.gz AJQUMYRFCXONIR-AEFFLSMTSA-N 3 2 334.508 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367273128 154061873 /nfs/dbraw/zinc/06/18/73/154061873.db2.gz AJQUMYRFCXONIR-AEFFLSMTSA-N 3 2 334.508 1.099 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCn2c(nnc2-c2cnn(C)c2)C1 ZINC000367309880 154074041 /nfs/dbraw/zinc/07/40/41/154074041.db2.gz YWGJIBCWDWUYAZ-UHFFFAOYSA-N 2 2 337.431 1.830 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCn2c(nnc2-c2cnn(C)c2)C1 ZINC000367309880 154074042 /nfs/dbraw/zinc/07/40/42/154074042.db2.gz YWGJIBCWDWUYAZ-UHFFFAOYSA-N 2 2 337.431 1.830 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCN2CCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000367359859 154088623 /nfs/dbraw/zinc/08/86/23/154088623.db2.gz CGWQYVNJRFWEEC-FUHWJXTLSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCN2CCNC2=O)CC[N@H+]1Cc1ccccc1 ZINC000367359859 154088624 /nfs/dbraw/zinc/08/86/24/154088624.db2.gz CGWQYVNJRFWEEC-FUHWJXTLSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCN2CCNC2=O)CC[NH+]1Cc1ccccc1 ZINC000367359859 154088627 /nfs/dbraw/zinc/08/86/27/154088627.db2.gz CGWQYVNJRFWEEC-FUHWJXTLSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCN2CCNC2=O)CC[NH+]1Cc1ccccc1 ZINC000367359859 154088628 /nfs/dbraw/zinc/08/86/28/154088628.db2.gz CGWQYVNJRFWEEC-FUHWJXTLSA-N 2 2 330.476 1.997 20 0 EDADLP Cn1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C(C)(C)C)n1 ZINC000367725859 154245231 /nfs/dbraw/zinc/24/52/31/154245231.db2.gz SFHOZTXMIOFQQA-QGZVFWFLSA-N 2 2 333.524 1.929 20 0 EDADLP Cn1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C(C)(C)C)n1 ZINC000367725859 154245232 /nfs/dbraw/zinc/24/52/32/154245232.db2.gz SFHOZTXMIOFQQA-QGZVFWFLSA-N 2 2 333.524 1.929 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)cn2)CC1 ZINC000367965725 154345645 /nfs/dbraw/zinc/34/56/45/154345645.db2.gz NMJXXGCSEPQKDW-SJORKVTESA-N 2 2 345.491 1.618 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC(C)(C)[C@@H]3[C@H]3CCCO3)cn2)CC1 ZINC000367965725 154345647 /nfs/dbraw/zinc/34/56/47/154345647.db2.gz NMJXXGCSEPQKDW-SJORKVTESA-N 2 2 345.491 1.618 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccc1F ZINC000367981112 154352810 /nfs/dbraw/zinc/35/28/10/154352810.db2.gz GNYROVFBCPWDKS-MAUKXSAKSA-N 2 2 349.450 1.800 20 0 EDADLP Cc1ccncc1CCC[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000368014886 154369206 /nfs/dbraw/zinc/36/92/06/154369206.db2.gz HKRGUXHEWMMKEW-UYAOXDASSA-N 2 2 346.519 1.659 20 0 EDADLP Cc1ccncc1CCC[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000368014886 154369210 /nfs/dbraw/zinc/36/92/10/154369210.db2.gz HKRGUXHEWMMKEW-UYAOXDASSA-N 2 2 346.519 1.659 20 0 EDADLP Cc1ccncc1CCC[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000368014886 154369211 /nfs/dbraw/zinc/36/92/11/154369211.db2.gz HKRGUXHEWMMKEW-UYAOXDASSA-N 2 2 346.519 1.659 20 0 EDADLP Cc1ccncc1CCC[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000368014886 154369214 /nfs/dbraw/zinc/36/92/14/154369214.db2.gz HKRGUXHEWMMKEW-UYAOXDASSA-N 2 2 346.519 1.659 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000369451617 155040549 /nfs/dbraw/zinc/04/05/49/155040549.db2.gz KOTQVSBIDKYVIH-OAHLLOKOSA-N 2 2 329.510 1.041 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000369451617 155040551 /nfs/dbraw/zinc/04/05/51/155040551.db2.gz KOTQVSBIDKYVIH-OAHLLOKOSA-N 2 2 329.510 1.041 20 0 EDADLP O=C(NC[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000369571671 155092641 /nfs/dbraw/zinc/09/26/41/155092641.db2.gz UBLCZCPVRRPGJK-GOEBONIOSA-N 2 2 332.448 1.205 20 0 EDADLP O=C(NC[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000369571671 155092647 /nfs/dbraw/zinc/09/26/47/155092647.db2.gz UBLCZCPVRRPGJK-GOEBONIOSA-N 2 2 332.448 1.205 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)Cn1cc[nH+]c1 ZINC000369591816 155102339 /nfs/dbraw/zinc/10/23/39/155102339.db2.gz MXSPOXDQRGPAJB-CVEARBPZSA-N 2 2 327.432 1.947 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000369612813 155111550 /nfs/dbraw/zinc/11/15/50/155111550.db2.gz FKEJTVOPHWZSOD-YQQAZPJKSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000369612813 155111553 /nfs/dbraw/zinc/11/15/53/155111553.db2.gz FKEJTVOPHWZSOD-YQQAZPJKSA-N 2 2 338.496 1.005 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000371606343 156027583 /nfs/dbraw/zinc/02/75/83/156027583.db2.gz DWLHLWYFRWJWTE-QZTJIDSGSA-N 2 2 330.476 1.670 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000371606343 156027584 /nfs/dbraw/zinc/02/75/84/156027584.db2.gz DWLHLWYFRWJWTE-QZTJIDSGSA-N 2 2 330.476 1.670 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000372331465 156336110 /nfs/dbraw/zinc/33/61/10/156336110.db2.gz KGKLTQNAQYVDTG-YJBOKZPZSA-N 2 2 339.443 1.439 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000372331465 156336113 /nfs/dbraw/zinc/33/61/13/156336113.db2.gz KGKLTQNAQYVDTG-YJBOKZPZSA-N 2 2 339.443 1.439 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3ncnn3CCF)CC2)CC1 ZINC000374089444 157139388 /nfs/dbraw/zinc/13/93/88/157139388.db2.gz SFNVRZLUZHEHSZ-UHFFFAOYSA-N 2 2 338.475 1.240 20 0 EDADLP C[C@H]1CN(C(=O)Nc2cncc(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374173441 157180518 /nfs/dbraw/zinc/18/05/18/157180518.db2.gz PFWDUXQGVWWUGD-ZDUSSCGKSA-N 2 2 335.427 1.853 20 0 EDADLP C[C@H]1CN(C(=O)Nc2cncc(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374173441 157180520 /nfs/dbraw/zinc/18/05/20/157180520.db2.gz PFWDUXQGVWWUGD-ZDUSSCGKSA-N 2 2 335.427 1.853 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154720650 292361213 /nfs/dbraw/zinc/36/12/13/292361213.db2.gz VZSRNWSKDSTLQU-ROUUACIJSA-N 2 2 339.524 1.972 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154720650 292361215 /nfs/dbraw/zinc/36/12/15/292361215.db2.gz VZSRNWSKDSTLQU-ROUUACIJSA-N 2 2 339.524 1.972 20 0 EDADLP COc1ccccc1CCC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374768816 157394044 /nfs/dbraw/zinc/39/40/44/157394044.db2.gz ARHZYGJTDCSEIJ-UHFFFAOYSA-N 2 2 345.487 1.866 20 0 EDADLP COc1ccccc1CCC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374768816 157394045 /nfs/dbraw/zinc/39/40/45/157394045.db2.gz ARHZYGJTDCSEIJ-UHFFFAOYSA-N 2 2 345.487 1.866 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000378009918 158054696 /nfs/dbraw/zinc/05/46/96/158054696.db2.gz SUEUHZMOOKZXML-CVEARBPZSA-N 2 2 349.479 1.340 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000378147640 158091277 /nfs/dbraw/zinc/09/12/77/158091277.db2.gz GKIOSJZFZGFAGN-RBUKOAKNSA-N 2 2 343.471 1.518 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(=O)n2ccsc2n1 ZINC000378249223 158120183 /nfs/dbraw/zinc/12/01/83/158120183.db2.gz OUEPMBDMOZAJRD-KFWWJZLASA-N 2 2 348.472 1.440 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(=O)n2ccsc2n1 ZINC000378249223 158120185 /nfs/dbraw/zinc/12/01/85/158120185.db2.gz OUEPMBDMOZAJRD-KFWWJZLASA-N 2 2 348.472 1.440 20 0 EDADLP C[N@H+](C[C@@H]1CC12CCN(C(=O)NCCn1cc[nH+]c1)CC2)C1CC1 ZINC000378353889 158148247 /nfs/dbraw/zinc/14/82/47/158148247.db2.gz HHVPRKKPQKGEON-HNNXBMFYSA-N 2 2 331.464 1.789 20 0 EDADLP C[N@@H+](C[C@@H]1CC12CCN(C(=O)NCCn1cc[nH+]c1)CC2)C1CC1 ZINC000378353889 158148248 /nfs/dbraw/zinc/14/82/48/158148248.db2.gz HHVPRKKPQKGEON-HNNXBMFYSA-N 2 2 331.464 1.789 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3c[nH+]c4cccc(C)n34)CCN2C1=O ZINC000378375903 158157328 /nfs/dbraw/zinc/15/73/28/158157328.db2.gz ZSHDTIBGLYVTOM-AWEZNQCLSA-N 2 2 327.388 1.111 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3c[nH+]c4cccc(C)n34)CCN2C1=O ZINC000378375903 158157330 /nfs/dbraw/zinc/15/73/30/158157330.db2.gz ZSHDTIBGLYVTOM-AWEZNQCLSA-N 2 2 327.388 1.111 20 0 EDADLP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000408411636 158355971 /nfs/dbraw/zinc/35/59/71/158355971.db2.gz JLFUQLAMTZUCCD-BHYGNILZSA-N 2 2 344.521 1.433 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416986690 286807784 /nfs/dbraw/zinc/80/77/84/286807784.db2.gz MHDOEFFBBTYNQB-MELADBBJSA-N 2 2 335.452 1.232 20 0 EDADLP Fc1ccc(OCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000352503115 162215719 /nfs/dbraw/zinc/21/57/19/162215719.db2.gz BVXPOQLESLQFME-CQSZACIVSA-N 2 2 327.831 1.837 20 0 EDADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352526387 162230291 /nfs/dbraw/zinc/23/02/91/162230291.db2.gz NCNMGUDQHGTAAI-CZUORRHYSA-N 2 2 336.867 1.647 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000366251061 162374241 /nfs/dbraw/zinc/37/42/41/162374241.db2.gz UZAXATNVKFYIAT-CGZBRXJRSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccccn3)CC2)CC1 ZINC000051674801 287221818 /nfs/dbraw/zinc/22/18/18/287221818.db2.gz IEZLUGGHHBOYQB-UHFFFAOYSA-N 2 2 331.464 1.439 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000075677751 287278483 /nfs/dbraw/zinc/27/84/83/287278483.db2.gz QADOANKIOOVGOP-RTBURBONSA-N 2 2 338.540 1.199 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418287889 304474943 /nfs/dbraw/zinc/47/49/43/304474943.db2.gz VJAFYBOURZDRQZ-OAHLLOKOSA-N 2 2 326.485 1.400 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC000641804422 452283816 /nfs/dbraw/zinc/28/38/16/452283816.db2.gz IQHBBMVOORMYGN-GUTXKFCHSA-N 2 2 325.478 1.542 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC000641804422 452283827 /nfs/dbraw/zinc/28/38/27/452283827.db2.gz IQHBBMVOORMYGN-GUTXKFCHSA-N 2 2 325.478 1.542 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000164131958 226047833 /nfs/dbraw/zinc/04/78/33/226047833.db2.gz AEYMRAWCYNYDOZ-HZPDHXFCSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000164131958 226047837 /nfs/dbraw/zinc/04/78/37/226047837.db2.gz AEYMRAWCYNYDOZ-HZPDHXFCSA-N 2 2 331.464 1.834 20 0 EDADLP COCCC[N@H+](C)CC[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000166772375 226169956 /nfs/dbraw/zinc/16/99/56/226169956.db2.gz WLCQVRYKTDGRRC-GFCCVEGCSA-N 2 2 333.274 1.592 20 0 EDADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000166772375 226169958 /nfs/dbraw/zinc/16/99/58/226169958.db2.gz WLCQVRYKTDGRRC-GFCCVEGCSA-N 2 2 333.274 1.592 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000122565758 222113856 /nfs/dbraw/zinc/11/38/56/222113856.db2.gz DXIWMMOCNMDKPS-INIZCTEOSA-N 2 2 347.463 1.070 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)CC[N@@H+]1C ZINC000123701116 222318904 /nfs/dbraw/zinc/31/89/04/222318904.db2.gz ZSVRMQWVOQBTTI-GDBMZVCRSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)CC[N@H+]1C ZINC000123701116 222318905 /nfs/dbraw/zinc/31/89/05/222318905.db2.gz ZSVRMQWVOQBTTI-GDBMZVCRSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)CC[NH+]1C ZINC000123701116 222318906 /nfs/dbraw/zinc/31/89/06/222318906.db2.gz ZSVRMQWVOQBTTI-GDBMZVCRSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)CC[NH+]1C ZINC000123701116 222318907 /nfs/dbraw/zinc/31/89/07/222318907.db2.gz ZSVRMQWVOQBTTI-GDBMZVCRSA-N 2 2 332.448 1.427 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1[nH]cc[nH+]1 ZINC000123985488 222360839 /nfs/dbraw/zinc/36/08/39/222360839.db2.gz AMINIPRODZUMFK-UHFFFAOYSA-N 2 2 329.404 1.418 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000171613864 227172771 /nfs/dbraw/zinc/17/27/71/227172771.db2.gz LTDZIDYRJPWIOL-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)[nH+]c1 ZINC000151353838 287595355 /nfs/dbraw/zinc/59/53/55/287595355.db2.gz JZXLMLYAIZAAQK-UHFFFAOYSA-N 2 2 349.479 1.290 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000174386004 533685485 /nfs/dbraw/zinc/68/54/85/533685485.db2.gz AXUXOUICMFLWSI-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000183569346 267667936 /nfs/dbraw/zinc/66/79/36/267667936.db2.gz RFXMNTUHXKQYRV-HNNXBMFYSA-N 2 2 332.448 1.332 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000273593181 268060694 /nfs/dbraw/zinc/06/06/94/268060694.db2.gz NBYUMKWKSNWIOR-KRWDZBQOSA-N 2 2 344.459 1.409 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000275217762 268302399 /nfs/dbraw/zinc/30/23/99/268302399.db2.gz KNEKDYZFXRSRCQ-UHFFFAOYSA-N 2 2 330.476 1.256 20 0 EDADLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000275400977 268337307 /nfs/dbraw/zinc/33/73/07/268337307.db2.gz BAZFRSXQKZHIFT-HUUCEWRRSA-N 2 2 340.431 1.419 20 0 EDADLP Cn1cccc1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000275560992 268360941 /nfs/dbraw/zinc/36/09/41/268360941.db2.gz FSNSTSPLLQIQRS-OAHLLOKOSA-N 2 2 327.432 1.543 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276091701 268396440 /nfs/dbraw/zinc/39/64/40/268396440.db2.gz MNSYHTPAWXRZTA-MRXNPFEDSA-N 2 2 348.491 1.311 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)ccc2[nH+]1 ZINC000276108413 268398456 /nfs/dbraw/zinc/39/84/56/268398456.db2.gz ZHIWYDFSXCRIIJ-DZGCQCFKSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)ccc2[nH+]1 ZINC000276108413 268398457 /nfs/dbraw/zinc/39/84/57/268398457.db2.gz ZHIWYDFSXCRIIJ-DZGCQCFKSA-N 2 2 341.415 1.276 20 0 EDADLP Cn1ncc2c1nc(NCCC[N@H+](C)Cc1ccccc1)[nH+]c2N ZINC000278365485 273261670 /nfs/dbraw/zinc/26/16/70/273261670.db2.gz KQULNMHVCUDKNL-UHFFFAOYSA-N 2 2 325.420 1.880 20 0 EDADLP Cn1ncc2c1nc(NCCC[N@@H+](C)Cc1ccccc1)[nH+]c2N ZINC000278365485 273261671 /nfs/dbraw/zinc/26/16/71/273261671.db2.gz KQULNMHVCUDKNL-UHFFFAOYSA-N 2 2 325.420 1.880 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000279254196 273289483 /nfs/dbraw/zinc/28/94/83/273289483.db2.gz PUWUPHUVGHYFEX-AEFFLSMTSA-N 2 2 348.491 1.651 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000279442983 273298256 /nfs/dbraw/zinc/29/82/56/273298256.db2.gz NJJFTHXERRVLEC-QGZVFWFLSA-N 2 2 328.416 1.138 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000280067566 273342159 /nfs/dbraw/zinc/34/21/59/273342159.db2.gz YXYAYRNZIOIVSD-HOCLYGCPSA-N 2 2 342.422 1.770 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)CCC[N@@H+]1C ZINC000284590081 274255442 /nfs/dbraw/zinc/25/54/42/274255442.db2.gz QFYKBBQRQUMNMC-BLLLJJGKSA-N 2 2 347.488 1.753 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)CCC[N@H+]1C ZINC000284590081 274255443 /nfs/dbraw/zinc/25/54/43/274255443.db2.gz QFYKBBQRQUMNMC-BLLLJJGKSA-N 2 2 347.488 1.753 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371304749 276206024 /nfs/dbraw/zinc/20/60/24/276206024.db2.gz KIFXZUNLKXLWSF-NVXWUHKLSA-N 2 2 338.540 1.780 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371304749 276206026 /nfs/dbraw/zinc/20/60/26/276206026.db2.gz KIFXZUNLKXLWSF-NVXWUHKLSA-N 2 2 338.540 1.780 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCOC ZINC000355556524 276289856 /nfs/dbraw/zinc/28/98/56/276289856.db2.gz DITXKIBNWNQCOF-HOTGVXAUSA-N 2 2 334.464 1.720 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCOC ZINC000355556524 276289858 /nfs/dbraw/zinc/28/98/58/276289858.db2.gz DITXKIBNWNQCOF-HOTGVXAUSA-N 2 2 334.464 1.720 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3COc4ccccc4C3)C2)CC1 ZINC000369274843 277027776 /nfs/dbraw/zinc/02/77/76/277027776.db2.gz SPGMMYBGKUUHIL-IAGOWNOFSA-N 2 2 343.471 1.522 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3COc4ccccc4C3)C2)CC1 ZINC000369274843 277027779 /nfs/dbraw/zinc/02/77/79/277027779.db2.gz SPGMMYBGKUUHIL-IAGOWNOFSA-N 2 2 343.471 1.522 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000246743567 277181853 /nfs/dbraw/zinc/18/18/53/277181853.db2.gz HBIKSNDYDXRSGU-HOTGVXAUSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000246743567 277181854 /nfs/dbraw/zinc/18/18/54/277181854.db2.gz HBIKSNDYDXRSGU-HOTGVXAUSA-N 2 2 325.416 1.824 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000362528772 278184735 /nfs/dbraw/zinc/18/47/35/278184735.db2.gz BMBQYAWULKCVES-PKOBYXMFSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000362528772 278184737 /nfs/dbraw/zinc/18/47/37/278184737.db2.gz BMBQYAWULKCVES-PKOBYXMFSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000363827027 278237240 /nfs/dbraw/zinc/23/72/40/278237240.db2.gz UJKNKSBWYYVAFE-UXLLHSPISA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000363827027 278237241 /nfs/dbraw/zinc/23/72/41/278237241.db2.gz UJKNKSBWYYVAFE-UXLLHSPISA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000371480428 278245399 /nfs/dbraw/zinc/24/53/99/278245399.db2.gz OESDQRSDOBDRBL-UXLLHSPISA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCCO1 ZINC000371480428 278245400 /nfs/dbraw/zinc/24/54/00/278245400.db2.gz OESDQRSDOBDRBL-UXLLHSPISA-N 2 2 338.496 1.412 20 0 EDADLP Cn1cc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000286722034 288070083 /nfs/dbraw/zinc/07/00/83/288070083.db2.gz JORXGAVAKXUPKQ-FUHWJXTLSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000286722034 288070085 /nfs/dbraw/zinc/07/00/85/288070085.db2.gz JORXGAVAKXUPKQ-FUHWJXTLSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000286722034 288070086 /nfs/dbraw/zinc/07/00/86/288070086.db2.gz JORXGAVAKXUPKQ-FUHWJXTLSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000286722034 288070088 /nfs/dbraw/zinc/07/00/88/288070088.db2.gz JORXGAVAKXUPKQ-FUHWJXTLSA-N 2 2 330.480 1.711 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)ccc2[nH+]1 ZINC000286842781 288102377 /nfs/dbraw/zinc/10/23/77/288102377.db2.gz ALIYVKRKSYYIKY-GOEBONIOSA-N 2 2 343.431 1.970 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000286864489 288107746 /nfs/dbraw/zinc/10/77/46/288107746.db2.gz BMJUBWNHYXUDTR-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000286864489 288107748 /nfs/dbraw/zinc/10/77/48/288107748.db2.gz BMJUBWNHYXUDTR-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[NH+]1CCOCC1 ZINC000342689286 279159229 /nfs/dbraw/zinc/15/92/29/279159229.db2.gz DLEHOWQELSVUMS-KGLIPLIRSA-N 2 2 333.423 1.094 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000346171035 279185902 /nfs/dbraw/zinc/18/59/02/279185902.db2.gz NQHCUVDKXBFXNK-UONOGXRCSA-N 2 2 336.461 1.829 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000346171035 279185904 /nfs/dbraw/zinc/18/59/04/279185904.db2.gz NQHCUVDKXBFXNK-UONOGXRCSA-N 2 2 336.461 1.829 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)c[nH+]1 ZINC000286934119 288120829 /nfs/dbraw/zinc/12/08/29/288120829.db2.gz BYBXOGBBUPETMC-HNNXBMFYSA-N 2 2 349.479 1.136 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000287152886 288167873 /nfs/dbraw/zinc/16/78/73/288167873.db2.gz LZFISUQGQJIWTM-GJZGRUSLSA-N 2 2 347.463 1.105 20 0 EDADLP C[C@H]1c2cccn2CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179567270 280133975 /nfs/dbraw/zinc/13/39/75/280133975.db2.gz XUPHYVXBLVGOPR-HNNXBMFYSA-N 2 2 326.448 1.607 20 0 EDADLP C[C@H]1c2cccn2CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179567270 280133976 /nfs/dbraw/zinc/13/39/76/280133976.db2.gz XUPHYVXBLVGOPR-HNNXBMFYSA-N 2 2 326.448 1.607 20 0 EDADLP CC[C@@H]([NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C(=O)NC ZINC000451277634 280190588 /nfs/dbraw/zinc/19/05/88/280190588.db2.gz BJDVQUNQRLHSNL-OAHLLOKOSA-N 2 2 338.883 1.706 20 0 EDADLP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000105270505 280247618 /nfs/dbraw/zinc/24/76/18/280247618.db2.gz CGPSPLDQVNLZAU-ZACQAIPSSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H]1SCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000645913448 452894133 /nfs/dbraw/zinc/89/41/33/452894133.db2.gz QEPYSMIEGJVXPJ-UKRRQHHQSA-N 2 2 328.526 1.548 20 0 EDADLP C[C@H]1SCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000645913448 452894147 /nfs/dbraw/zinc/89/41/47/452894147.db2.gz QEPYSMIEGJVXPJ-UKRRQHHQSA-N 2 2 328.526 1.548 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[NH+]2CCOCC2)cc1 ZINC000364219255 280986981 /nfs/dbraw/zinc/98/69/81/280986981.db2.gz ZQKAXAGCZWEGDQ-CMKODMSKSA-N 2 2 343.471 1.484 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cnn(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000370158171 288717141 /nfs/dbraw/zinc/71/71/41/288717141.db2.gz BPJGBRSOAGKTOX-HNNXBMFYSA-N 2 2 342.447 1.421 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000290790198 288953691 /nfs/dbraw/zinc/95/36/91/288953691.db2.gz UPJZASHLDTWCOT-HOTGVXAUSA-N 2 2 343.431 1.834 20 0 EDADLP C[NH+](C)CCCC(C)(C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000458276728 289108258 /nfs/dbraw/zinc/10/82/58/289108258.db2.gz LPVCJDQTKCMQHF-UHFFFAOYSA-N 2 2 328.501 1.517 20 0 EDADLP C[NH+](C)CCCC(C)(C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000458276728 289108260 /nfs/dbraw/zinc/10/82/60/289108260.db2.gz LPVCJDQTKCMQHF-UHFFFAOYSA-N 2 2 328.501 1.517 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)no1 ZINC000359561333 289223364 /nfs/dbraw/zinc/22/33/64/289223364.db2.gz INRMXELXJWZYHX-RDJZCZTQSA-N 2 2 328.416 1.911 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)no1 ZINC000359561333 289223366 /nfs/dbraw/zinc/22/33/66/289223366.db2.gz INRMXELXJWZYHX-RDJZCZTQSA-N 2 2 328.416 1.911 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1c(F)cccc1F ZINC000417662452 289280885 /nfs/dbraw/zinc/28/08/85/289280885.db2.gz RVZVZNUQHGTLCN-YOEHRIQHSA-N 2 2 340.418 1.948 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000182200726 290172944 /nfs/dbraw/zinc/17/29/44/290172944.db2.gz BYCCBFAZYKGNFA-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000182200726 290172945 /nfs/dbraw/zinc/17/29/45/290172945.db2.gz BYCCBFAZYKGNFA-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H](C)O1 ZINC000353393171 297017246 /nfs/dbraw/zinc/01/72/46/297017246.db2.gz ZBDKLNOGBGZRID-VVLHAWIVSA-N 2 2 346.475 1.861 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H](C)O1 ZINC000353393171 297017249 /nfs/dbraw/zinc/01/72/49/297017249.db2.gz ZBDKLNOGBGZRID-VVLHAWIVSA-N 2 2 346.475 1.861 20 0 EDADLP CO[C@H](C)[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000358385579 294308728 /nfs/dbraw/zinc/30/87/28/294308728.db2.gz DSQOYMOBWAQMOH-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP [NH3+][C@H](CC(F)F)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000345711166 295330319 /nfs/dbraw/zinc/33/03/19/295330319.db2.gz KJQKKJXJYXPWPO-KGLIPLIRSA-N 2 2 327.375 1.159 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418575180 304514409 /nfs/dbraw/zinc/51/44/09/304514409.db2.gz MUKSCBISWRSWSA-RHSMWYFYSA-N 2 2 334.439 1.651 20 0 EDADLP CCC[C@@H](OC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422010277 447306381 /nfs/dbraw/zinc/30/63/81/447306381.db2.gz BWVMYAPRVYJCED-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CCC[C@@H](OC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422010277 447306384 /nfs/dbraw/zinc/30/63/84/447306384.db2.gz BWVMYAPRVYJCED-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266857381 300314584 /nfs/dbraw/zinc/31/45/84/300314584.db2.gz SVPAOMGTWGLRTM-FUHWJXTLSA-N 2 2 343.471 1.828 20 0 EDADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266857381 300314586 /nfs/dbraw/zinc/31/45/86/300314586.db2.gz SVPAOMGTWGLRTM-FUHWJXTLSA-N 2 2 343.471 1.828 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCCOc1ccc(Cl)cc1 ZINC000420373960 304752975 /nfs/dbraw/zinc/75/29/75/304752975.db2.gz ROZWHWLUVQJXJL-IGCXYCKISA-N 2 2 339.867 1.811 20 0 EDADLP CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)[NH+]1CCCC1 ZINC000414682435 447317924 /nfs/dbraw/zinc/31/79/24/447317924.db2.gz RFQAONSGDYULEX-HNNXBMFYSA-N 2 2 347.463 1.619 20 0 EDADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000414754244 447323056 /nfs/dbraw/zinc/32/30/56/447323056.db2.gz RLRXLOAUXKJWIY-ZDUSSCGKSA-N 2 2 341.415 1.658 20 0 EDADLP COc1ccc(F)c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000293812033 303022522 /nfs/dbraw/zinc/02/25/22/303022522.db2.gz FDZJDQOMIUKRGB-UHFFFAOYSA-N 2 2 349.450 1.820 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000294158085 303070837 /nfs/dbraw/zinc/07/08/37/303070837.db2.gz HZCOXRDDVTVDPM-UKRRQHHQSA-N 2 2 334.420 1.095 20 0 EDADLP c1cn2c(n1)[C@@H]([NH2+]CCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000295812271 303271221 /nfs/dbraw/zinc/27/12/21/303271221.db2.gz CWLZZOGQWORUMI-SFHVURJKSA-N 2 2 325.460 1.735 20 0 EDADLP C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000296041097 303291318 /nfs/dbraw/zinc/29/13/18/303291318.db2.gz FEQTXHOXMGORLZ-YJBOKZPZSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000296041097 303291320 /nfs/dbraw/zinc/29/13/20/303291320.db2.gz FEQTXHOXMGORLZ-YJBOKZPZSA-N 2 2 347.459 1.303 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)[NH+]2CCOCC2)cc1 ZINC000296447344 303317312 /nfs/dbraw/zinc/31/73/12/303317312.db2.gz OACFDQYSQNPSHP-MAUKXSAKSA-N 2 2 331.460 1.625 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)NCc1c[nH+]ccc1OC ZINC000297233283 303376432 /nfs/dbraw/zinc/37/64/32/303376432.db2.gz GSPMZVVAKXQLIC-UHFFFAOYSA-N 2 2 338.452 1.590 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2NCCC1CC[NH+](C)CC1 ZINC000301318838 303672415 /nfs/dbraw/zinc/67/24/15/303672415.db2.gz QELSXGITZZMSGD-UHFFFAOYSA-N 2 2 332.408 1.143 20 0 EDADLP CC(C)c1nc(NC[C@H](c2cnn(C)c2)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000301952537 303704657 /nfs/dbraw/zinc/70/46/57/303704657.db2.gz CFTSGTBMKONKDB-CYBMUJFWSA-N 2 2 332.456 1.509 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000377763974 447344525 /nfs/dbraw/zinc/34/45/25/447344525.db2.gz HKXQGGVXJPLWKD-DLBZAZTESA-N 2 2 348.447 1.174 20 0 EDADLP CC(=O)Nc1cccc(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422936827 304880491 /nfs/dbraw/zinc/88/04/91/304880491.db2.gz CAKKYRBTBKDYBZ-ROUUACIJSA-N 2 2 333.432 1.380 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])s1 ZINC000422940441 304880883 /nfs/dbraw/zinc/88/08/83/304880883.db2.gz STRUPGMKZXLRNB-STQMWFEESA-N 2 2 331.507 1.748 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2=O)c(OC)c1 ZINC000423109657 304886698 /nfs/dbraw/zinc/88/66/98/304886698.db2.gz NZCINYBWPOBARE-KBRIMQKVSA-N 2 2 347.459 1.535 20 0 EDADLP COC[C@]1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]C1 ZINC000423302594 304891886 /nfs/dbraw/zinc/89/18/86/304891886.db2.gz JZYVSWLFFINXFF-SFHVURJKSA-N 2 2 328.416 1.174 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(Br)c1 ZINC000423411969 304894767 /nfs/dbraw/zinc/89/47/67/304894767.db2.gz VWMLGSAARPFFGR-IMSIIYSGSA-N 2 2 329.238 1.689 20 0 EDADLP CCNC(=O)COc1cccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425362907 304961948 /nfs/dbraw/zinc/96/19/48/304961948.db2.gz VVNQOCIJLJAGAJ-UHFFFAOYSA-N 2 2 345.447 1.291 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000428029088 305004283 /nfs/dbraw/zinc/00/42/83/305004283.db2.gz CURUBCNDQYPAOZ-ZBFHGGJFSA-N 2 2 330.432 1.635 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)c1 ZINC000428029088 305004284 /nfs/dbraw/zinc/00/42/84/305004284.db2.gz CURUBCNDQYPAOZ-ZBFHGGJFSA-N 2 2 330.432 1.635 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428033456 305004486 /nfs/dbraw/zinc/00/44/86/305004486.db2.gz AZTCCILBYDZLMU-DYEKYZERSA-N 2 2 334.395 1.546 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428033456 305004487 /nfs/dbraw/zinc/00/44/87/305004487.db2.gz AZTCCILBYDZLMU-DYEKYZERSA-N 2 2 334.395 1.546 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000428246601 305008966 /nfs/dbraw/zinc/00/89/66/305008966.db2.gz RLHFDGKBXUYMMU-CQSZACIVSA-N 2 2 327.436 1.524 20 0 EDADLP CC[C@@H](O)CCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000429983061 305042055 /nfs/dbraw/zinc/04/20/55/305042055.db2.gz BBEKXBOWYRHVPR-MSOLQXFVSA-N 2 2 344.459 1.469 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CCCOCC1 ZINC000429981586 305042060 /nfs/dbraw/zinc/04/20/60/305042060.db2.gz ZAGJVAQXKXWKKK-KRWDZBQOSA-N 2 2 328.416 1.050 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000430601147 305058008 /nfs/dbraw/zinc/05/80/08/305058008.db2.gz CTMPWXQTFQKXFD-OAHLLOKOSA-N 2 2 331.464 1.681 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000430601147 305058009 /nfs/dbraw/zinc/05/80/09/305058009.db2.gz CTMPWXQTFQKXFD-OAHLLOKOSA-N 2 2 331.464 1.681 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000430610045 305058736 /nfs/dbraw/zinc/05/87/36/305058736.db2.gz JQBQAPREAAIQIM-KBPBESRZSA-N 2 2 339.430 1.943 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000430610045 305058737 /nfs/dbraw/zinc/05/87/37/305058737.db2.gz JQBQAPREAAIQIM-KBPBESRZSA-N 2 2 339.430 1.943 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)C1CC[NH2+]CC1)CC2 ZINC000430612817 305058955 /nfs/dbraw/zinc/05/89/55/305058955.db2.gz SWCUNKRCISWFJF-UHFFFAOYSA-N 2 2 347.459 1.272 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)C1CC[NH2+]CC1)CC2 ZINC000430612817 305058956 /nfs/dbraw/zinc/05/89/56/305058956.db2.gz SWCUNKRCISWFJF-UHFFFAOYSA-N 2 2 347.459 1.272 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430620536 305059570 /nfs/dbraw/zinc/05/95/70/305059570.db2.gz IELNMNVVLJWDDS-AWEZNQCLSA-N 2 2 346.500 1.886 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430620536 305059571 /nfs/dbraw/zinc/05/95/71/305059571.db2.gz IELNMNVVLJWDDS-AWEZNQCLSA-N 2 2 346.500 1.886 20 0 EDADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430624260 305059704 /nfs/dbraw/zinc/05/97/04/305059704.db2.gz OLTFCTYOZLXFKT-HNNXBMFYSA-N 2 2 330.432 1.436 20 0 EDADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430624260 305059705 /nfs/dbraw/zinc/05/97/05/305059705.db2.gz OLTFCTYOZLXFKT-HNNXBMFYSA-N 2 2 330.432 1.436 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430623689 305059881 /nfs/dbraw/zinc/05/98/81/305059881.db2.gz HSYVWFMVPUDFGO-CQSZACIVSA-N 2 2 341.402 1.836 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430623689 305059882 /nfs/dbraw/zinc/05/98/82/305059882.db2.gz HSYVWFMVPUDFGO-CQSZACIVSA-N 2 2 341.402 1.836 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000430888230 305067017 /nfs/dbraw/zinc/06/70/17/305067017.db2.gz ILPSVFZETLCZHQ-ZDUSSCGKSA-N 2 2 342.321 1.770 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000430917689 305067867 /nfs/dbraw/zinc/06/78/67/305067867.db2.gz DTBPWCDKVCCAMQ-JFIYKMOQSA-N 2 2 330.476 1.298 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000430917689 305067868 /nfs/dbraw/zinc/06/78/68/305067868.db2.gz DTBPWCDKVCCAMQ-JFIYKMOQSA-N 2 2 330.476 1.298 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430936062 305069221 /nfs/dbraw/zinc/06/92/21/305069221.db2.gz WRMVSJRTIBHJOF-AAEUAGOBSA-N 2 2 334.420 1.261 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430936062 305069222 /nfs/dbraw/zinc/06/92/22/305069222.db2.gz WRMVSJRTIBHJOF-AAEUAGOBSA-N 2 2 334.420 1.261 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000430950139 305070085 /nfs/dbraw/zinc/07/00/85/305070085.db2.gz GGQFALCNXJQHSR-GFCCVEGCSA-N 2 2 348.838 1.401 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000430950139 305070086 /nfs/dbraw/zinc/07/00/86/305070086.db2.gz GGQFALCNXJQHSR-GFCCVEGCSA-N 2 2 348.838 1.401 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430957071 305070760 /nfs/dbraw/zinc/07/07/60/305070760.db2.gz NRRVKPMURQRSIX-HWWQOWPSSA-N 2 2 325.403 1.681 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430957071 305070761 /nfs/dbraw/zinc/07/07/61/305070761.db2.gz NRRVKPMURQRSIX-HWWQOWPSSA-N 2 2 325.403 1.681 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(OC)cc2)C2CC2)C1 ZINC000430959223 305070801 /nfs/dbraw/zinc/07/08/01/305070801.db2.gz XFAQWSYGQRHFAN-INIZCTEOSA-N 2 2 331.460 1.728 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(OC)cc2)C2CC2)C1 ZINC000430959223 305070802 /nfs/dbraw/zinc/07/08/02/305070802.db2.gz XFAQWSYGQRHFAN-INIZCTEOSA-N 2 2 331.460 1.728 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)C1 ZINC000430962449 305071251 /nfs/dbraw/zinc/07/12/51/305071251.db2.gz QQRKUAKOWKCPKZ-JKSUJKDBSA-N 2 2 346.475 1.288 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)C1 ZINC000430962449 305071252 /nfs/dbraw/zinc/07/12/52/305071252.db2.gz QQRKUAKOWKCPKZ-JKSUJKDBSA-N 2 2 346.475 1.288 20 0 EDADLP CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000430961713 305071264 /nfs/dbraw/zinc/07/12/64/305071264.db2.gz AHKPLDQKWNITRZ-CQSZACIVSA-N 2 2 325.457 1.140 20 0 EDADLP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000430961713 305071265 /nfs/dbraw/zinc/07/12/65/305071265.db2.gz AHKPLDQKWNITRZ-CQSZACIVSA-N 2 2 325.457 1.140 20 0 EDADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000430984451 305072100 /nfs/dbraw/zinc/07/21/00/305072100.db2.gz MXDUPSZYTMGVDG-SJORKVTESA-N 2 2 340.512 1.518 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434192858 305118733 /nfs/dbraw/zinc/11/87/33/305118733.db2.gz CPPGQHNOTAKNLB-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434192858 305118734 /nfs/dbraw/zinc/11/87/34/305118734.db2.gz CPPGQHNOTAKNLB-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H]1C ZINC000434457850 305123193 /nfs/dbraw/zinc/12/31/93/305123193.db2.gz ZCOXRISMKPAPQF-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H]1C ZINC000434457850 305123194 /nfs/dbraw/zinc/12/31/94/305123194.db2.gz ZCOXRISMKPAPQF-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP CCOCC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000434628173 305125563 /nfs/dbraw/zinc/12/55/63/305125563.db2.gz DAPXERBNEILNFN-INIZCTEOSA-N 2 2 336.480 1.818 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000434676846 305127508 /nfs/dbraw/zinc/12/75/08/305127508.db2.gz TWDCACASRDCGTQ-GOEBONIOSA-N 2 2 325.497 1.722 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000434676846 305127509 /nfs/dbraw/zinc/12/75/09/305127509.db2.gz TWDCACASRDCGTQ-GOEBONIOSA-N 2 2 325.497 1.722 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCC(=O)c1ccccc1 ZINC000435036998 305135051 /nfs/dbraw/zinc/13/50/51/305135051.db2.gz VWBSPUZGJMRAAF-QGZVFWFLSA-N 2 2 340.427 1.655 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCC(=O)c1ccccc1 ZINC000435036998 305135052 /nfs/dbraw/zinc/13/50/52/305135052.db2.gz VWBSPUZGJMRAAF-QGZVFWFLSA-N 2 2 340.427 1.655 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435571490 305142838 /nfs/dbraw/zinc/14/28/38/305142838.db2.gz VUGVCAQQUOXFGF-MRXNPFEDSA-N 2 2 346.475 1.708 20 0 EDADLP C[N@H+](CC(=O)NCCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435616904 305143467 /nfs/dbraw/zinc/14/34/67/305143467.db2.gz UOENJIUSQGMZLU-HNNXBMFYSA-N 2 2 339.867 1.909 20 0 EDADLP C[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435616904 305143468 /nfs/dbraw/zinc/14/34/68/305143468.db2.gz UOENJIUSQGMZLU-HNNXBMFYSA-N 2 2 339.867 1.909 20 0 EDADLP CCn1ccnc1C[N@H+](CCn1cccn1)[C@H]1CC12CC[NH2+]CC2 ZINC000435684325 305145153 /nfs/dbraw/zinc/14/51/53/305145153.db2.gz UVJSLGXHIHGFPT-INIZCTEOSA-N 2 2 328.464 1.744 20 0 EDADLP CCn1ccnc1C[N@@H+](CCn1cccn1)[C@H]1CC12CC[NH2+]CC2 ZINC000435684325 305145154 /nfs/dbraw/zinc/14/51/54/305145154.db2.gz UVJSLGXHIHGFPT-INIZCTEOSA-N 2 2 328.464 1.744 20 0 EDADLP COCCOCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687320 305145311 /nfs/dbraw/zinc/14/53/11/305145311.db2.gz DPIARPTYLQRSJC-CQSZACIVSA-N 2 2 325.478 1.750 20 0 EDADLP COCCOCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687320 305145312 /nfs/dbraw/zinc/14/53/12/305145312.db2.gz DPIARPTYLQRSJC-CQSZACIVSA-N 2 2 325.478 1.750 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(C[C@H]3CCC[NH2+]3)n2)c1 ZINC000435721611 305146415 /nfs/dbraw/zinc/14/64/15/305146415.db2.gz DNKCJPFNOAMKKN-MRXNPFEDSA-N 2 2 328.416 1.863 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000438833496 305189730 /nfs/dbraw/zinc/18/97/30/305189730.db2.gz XLJHCUJCRCSSNO-GOSISDBHSA-N 2 2 329.448 1.679 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(=O)n2ccccc2n1 ZINC000441211350 305219105 /nfs/dbraw/zinc/21/91/05/305219105.db2.gz RYRSPUIVECQIJN-IXDOHACOSA-N 2 2 342.443 1.378 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(=O)n2ccccc2n1 ZINC000441211350 305219106 /nfs/dbraw/zinc/21/91/06/305219106.db2.gz RYRSPUIVECQIJN-IXDOHACOSA-N 2 2 342.443 1.378 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000442849993 305230135 /nfs/dbraw/zinc/23/01/35/305230135.db2.gz OTCYTNXTCYFSLY-CXAGYDPISA-N 2 2 327.469 1.249 20 0 EDADLP CC(C)[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000444748437 305251753 /nfs/dbraw/zinc/25/17/53/305251753.db2.gz JTANKYAIVNZLJR-INIZCTEOSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000444748437 305251754 /nfs/dbraw/zinc/25/17/54/305251754.db2.gz JTANKYAIVNZLJR-INIZCTEOSA-N 2 2 325.497 1.581 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000446265389 305262011 /nfs/dbraw/zinc/26/20/11/305262011.db2.gz PFYLOLPNNNCLOV-JCKWVBRZSA-N 2 2 328.416 1.483 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000446284034 305262460 /nfs/dbraw/zinc/26/24/60/305262460.db2.gz YYXNAHJBEMVNHC-GMBSWORKSA-N 2 2 346.475 1.411 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446617821 305268176 /nfs/dbraw/zinc/26/81/76/305268176.db2.gz PPCCWGFLXYHWNL-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446617821 305268177 /nfs/dbraw/zinc/26/81/77/305268177.db2.gz PPCCWGFLXYHWNL-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP Cc1cnc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000449105221 305306747 /nfs/dbraw/zinc/30/67/47/305306747.db2.gz HSCPNZCQXXBSEZ-UHFFFAOYSA-N 2 2 345.472 1.675 20 0 EDADLP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451231048 305334847 /nfs/dbraw/zinc/33/48/47/305334847.db2.gz PEAVKNVRVDOYOS-JJTUDDRGSA-N 2 2 342.480 1.168 20 0 EDADLP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451231048 305334848 /nfs/dbraw/zinc/33/48/48/305334848.db2.gz PEAVKNVRVDOYOS-JJTUDDRGSA-N 2 2 342.480 1.168 20 0 EDADLP CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451539991 305352173 /nfs/dbraw/zinc/35/21/73/305352173.db2.gz WBTHILDRLGHOLC-SJORKVTESA-N 2 2 339.480 1.204 20 0 EDADLP CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451539991 305352174 /nfs/dbraw/zinc/35/21/74/305352174.db2.gz WBTHILDRLGHOLC-SJORKVTESA-N 2 2 339.480 1.204 20 0 EDADLP CC[C@@H](C(=O)OC)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451539991 305352175 /nfs/dbraw/zinc/35/21/75/305352175.db2.gz WBTHILDRLGHOLC-SJORKVTESA-N 2 2 339.480 1.204 20 0 EDADLP COc1ccc2c(c1)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000451648137 305358847 /nfs/dbraw/zinc/35/88/47/305358847.db2.gz OISVEKCMRFLSNA-UHFFFAOYSA-N 2 2 333.432 1.054 20 0 EDADLP COc1ccc2c(c1)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCO2 ZINC000451648137 305358848 /nfs/dbraw/zinc/35/88/48/305358848.db2.gz OISVEKCMRFLSNA-UHFFFAOYSA-N 2 2 333.432 1.054 20 0 EDADLP NC(=O)CC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCOc2ccccc21 ZINC000451706691 305363577 /nfs/dbraw/zinc/36/35/77/305363577.db2.gz HBTQBQDFEUVZIM-MRXNPFEDSA-N 2 2 328.416 1.974 20 0 EDADLP NC(=O)CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCOc2ccccc21 ZINC000451706691 305363578 /nfs/dbraw/zinc/36/35/78/305363578.db2.gz HBTQBQDFEUVZIM-MRXNPFEDSA-N 2 2 328.416 1.974 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)n1C ZINC000419698705 447356858 /nfs/dbraw/zinc/35/68/58/447356858.db2.gz TWCWUWQAHRQQGV-INIZCTEOSA-N 2 2 345.422 1.516 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1C ZINC000414924920 447359325 /nfs/dbraw/zinc/35/93/25/447359325.db2.gz IBYZYMRJAOJJPT-MRXNPFEDSA-N 2 2 336.480 1.931 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000449022010 447359437 /nfs/dbraw/zinc/35/94/37/447359437.db2.gz WIYGKDNKQDWEJD-HZPDHXFCSA-N 2 2 334.512 1.597 20 0 EDADLP C[NH+](C)C1(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCC1 ZINC000521851805 305793564 /nfs/dbraw/zinc/79/35/64/305793564.db2.gz MKXABBUDQWONIX-UHFFFAOYSA-N 2 2 332.448 1.128 20 0 EDADLP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000528425365 305872752 /nfs/dbraw/zinc/87/27/52/305872752.db2.gz PUDJLGHWPQWZQO-KRWDZBQOSA-N 2 2 332.423 1.939 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000529371973 305910926 /nfs/dbraw/zinc/91/09/26/305910926.db2.gz IGEYXUNHTXQNCW-GINYUPMKSA-N 2 2 344.459 1.015 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc(C)[nH+]1 ZINC000422135395 447365304 /nfs/dbraw/zinc/36/53/04/447365304.db2.gz RXBAXUZKKQRPAF-UHFFFAOYSA-N 2 2 346.475 1.694 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)[NH+]1CCSCC1 ZINC000535265014 306012381 /nfs/dbraw/zinc/01/23/81/306012381.db2.gz PCZMENZXFZFGLA-AWEZNQCLSA-N 2 2 339.530 1.830 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000535316638 306012828 /nfs/dbraw/zinc/01/28/28/306012828.db2.gz OGCOYCVOXUIHHS-INIZCTEOSA-N 2 2 342.443 1.713 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000535316638 306012829 /nfs/dbraw/zinc/01/28/29/306012829.db2.gz OGCOYCVOXUIHHS-INIZCTEOSA-N 2 2 342.443 1.713 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000539020722 306033923 /nfs/dbraw/zinc/03/39/23/306033923.db2.gz JNCDMBBDIPRCOS-YOEHRIQHSA-N 2 2 337.489 1.511 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000539020722 306033924 /nfs/dbraw/zinc/03/39/24/306033924.db2.gz JNCDMBBDIPRCOS-YOEHRIQHSA-N 2 2 337.489 1.511 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000543399014 306063354 /nfs/dbraw/zinc/06/33/54/306063354.db2.gz CLYRTWBYAWCAQR-INIZCTEOSA-N 2 2 343.475 1.872 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000543399014 306063355 /nfs/dbraw/zinc/06/33/55/306063355.db2.gz CLYRTWBYAWCAQR-INIZCTEOSA-N 2 2 343.475 1.872 20 0 EDADLP C[NH+]1CCN(c2cccc(-c3noc(CCn4cc[nH+]c4)n3)n2)CC1 ZINC000545126834 306080263 /nfs/dbraw/zinc/08/02/63/306080263.db2.gz MMYWHCSYKWGEBD-UHFFFAOYSA-N 2 2 339.403 1.323 20 0 EDADLP C[N@H+](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000547630678 306105781 /nfs/dbraw/zinc/10/57/81/306105781.db2.gz ZAOUZLQXMVGZBC-INIZCTEOSA-N 2 2 345.422 1.768 20 0 EDADLP C[N@@H+](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000547630678 306105782 /nfs/dbraw/zinc/10/57/82/306105782.db2.gz ZAOUZLQXMVGZBC-INIZCTEOSA-N 2 2 345.422 1.768 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCSc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000557138092 306224871 /nfs/dbraw/zinc/22/48/71/306224871.db2.gz ZZCVBCPBQSCEQA-CQSZACIVSA-N 2 2 340.468 1.592 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCSc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000557138092 306224872 /nfs/dbraw/zinc/22/48/72/306224872.db2.gz ZZCVBCPBQSCEQA-CQSZACIVSA-N 2 2 340.468 1.592 20 0 EDADLP COC[C@@]1(C[NH2+]Cc2ccc(O[C@H](C)C(=O)OC)cc2)CCC[NH2+]1 ZINC000414947110 447369079 /nfs/dbraw/zinc/36/90/79/447369079.db2.gz UNBXMWFIZBPRCX-KDOFPFPSSA-N 2 2 336.432 1.485 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC2CC[NH+](CC)CC2)CCO1 ZINC000426029430 447381037 /nfs/dbraw/zinc/38/10/37/447381037.db2.gz KJNJNEBLJAPHEZ-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC2CC[NH+](CC)CC2)CCO1 ZINC000426029430 447381042 /nfs/dbraw/zinc/38/10/42/447381042.db2.gz KJNJNEBLJAPHEZ-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000449706350 447387711 /nfs/dbraw/zinc/38/77/11/447387711.db2.gz ANSPVCDCJPGGKX-IAGOWNOFSA-N 2 2 349.500 1.271 20 0 EDADLP Cc1nc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000105097724 441232563 /nfs/dbraw/zinc/23/25/63/441232563.db2.gz MZSMYVISBPRGPY-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP Cc1nc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000105097724 441232570 /nfs/dbraw/zinc/23/25/70/441232570.db2.gz MZSMYVISBPRGPY-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000015297265 441199621 /nfs/dbraw/zinc/19/96/21/441199621.db2.gz VTKKFUYJCKMPHB-INIZCTEOSA-N 2 2 347.459 1.359 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000015297265 441199624 /nfs/dbraw/zinc/19/96/24/441199624.db2.gz VTKKFUYJCKMPHB-INIZCTEOSA-N 2 2 347.459 1.359 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)c1 ZINC000104963637 441225486 /nfs/dbraw/zinc/22/54/86/441225486.db2.gz RULFGTBLPZEAHE-OAHLLOKOSA-N 2 2 347.415 1.383 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000081283964 441248254 /nfs/dbraw/zinc/24/82/54/441248254.db2.gz ZWEAAJDJRSTAOK-AWEZNQCLSA-N 2 2 338.477 1.788 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000081283964 441248256 /nfs/dbraw/zinc/24/82/56/441248256.db2.gz ZWEAAJDJRSTAOK-AWEZNQCLSA-N 2 2 338.477 1.788 20 0 EDADLP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000081576310 441291800 /nfs/dbraw/zinc/29/18/00/441291800.db2.gz ILPZDESAGKDOAX-HUUCEWRRSA-N 2 2 332.448 1.328 20 0 EDADLP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000081576310 441291803 /nfs/dbraw/zinc/29/18/03/441291803.db2.gz ILPZDESAGKDOAX-HUUCEWRRSA-N 2 2 332.448 1.328 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000047964837 441242852 /nfs/dbraw/zinc/24/28/52/441242852.db2.gz FOCQUIIQSVXQEG-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000047964837 441242856 /nfs/dbraw/zinc/24/28/56/441242856.db2.gz FOCQUIIQSVXQEG-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC3([NH+](C)C)CCOCC3)cn2c1 ZINC000073205737 441301531 /nfs/dbraw/zinc/30/15/31/441301531.db2.gz VBDWEMDNXMEEJO-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000062505302 441303617 /nfs/dbraw/zinc/30/36/17/441303617.db2.gz BYQACSTXYCPSGL-AWEZNQCLSA-N 2 2 335.452 1.058 20 0 EDADLP C[C@H](CNC(=O)C1([NH+]2CCOCC2)CCCC1)C[NH+]1CCCCC1 ZINC000074225670 441410966 /nfs/dbraw/zinc/41/09/66/441410966.db2.gz AMBPDFSRCHZUHJ-QGZVFWFLSA-N 2 2 337.508 1.870 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)on1 ZINC000051959856 441430344 /nfs/dbraw/zinc/43/03/44/441430344.db2.gz LCUIUMZIWMUOMN-CQSZACIVSA-N 2 2 336.436 1.354 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCCO2)CC1 ZINC000052102544 441435016 /nfs/dbraw/zinc/43/50/16/441435016.db2.gz GPHMJNNZWCLSMQ-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000052102544 441435018 /nfs/dbraw/zinc/43/50/18/441435018.db2.gz GPHMJNNZWCLSMQ-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CC[NH+](CCO)CC1 ZINC000087083955 441479304 /nfs/dbraw/zinc/47/93/04/441479304.db2.gz SOUIRIXGZQBNEM-UHFFFAOYSA-N 2 2 326.400 1.575 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(F)c(F)c1 ZINC000087355368 441488727 /nfs/dbraw/zinc/48/87/27/441488727.db2.gz ACSGDDIRKFSVCX-UHFFFAOYSA-N 2 2 339.430 1.992 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(F)c(F)c1 ZINC000087355368 441488729 /nfs/dbraw/zinc/48/87/29/441488729.db2.gz ACSGDDIRKFSVCX-UHFFFAOYSA-N 2 2 339.430 1.992 20 0 EDADLP COCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000052940561 441488908 /nfs/dbraw/zinc/48/89/08/441488908.db2.gz XTHWVGNVXWXNCM-UHFFFAOYSA-N 2 2 332.448 1.231 20 0 EDADLP COCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000052940561 441488912 /nfs/dbraw/zinc/48/89/12/441488912.db2.gz XTHWVGNVXWXNCM-UHFFFAOYSA-N 2 2 332.448 1.231 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000086247399 441460881 /nfs/dbraw/zinc/46/08/81/441460881.db2.gz BHRHQDNKYUCAES-SFHVURJKSA-N 2 2 331.460 1.911 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000086247399 441460885 /nfs/dbraw/zinc/46/08/85/441460885.db2.gz BHRHQDNKYUCAES-SFHVURJKSA-N 2 2 331.460 1.911 20 0 EDADLP C[NH+]1CCN(CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC000109951898 441512460 /nfs/dbraw/zinc/51/24/60/441512460.db2.gz HTGMWKBQSGWCDJ-UHFFFAOYSA-N 2 2 345.491 1.326 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[NH+](C2CC2)CC1 ZINC000075664355 441546607 /nfs/dbraw/zinc/54/66/07/441546607.db2.gz KGISEQOLSAJMQK-UHFFFAOYSA-N 2 2 329.444 1.439 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109706382 441502549 /nfs/dbraw/zinc/50/25/49/441502549.db2.gz QKYNMMIOTYJBHX-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109706382 441502552 /nfs/dbraw/zinc/50/25/52/441502552.db2.gz QKYNMMIOTYJBHX-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP COCC[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000054361840 441574032 /nfs/dbraw/zinc/57/40/32/441574032.db2.gz XRDHRAPOYAPCNQ-UHFFFAOYSA-N 2 2 349.479 1.135 20 0 EDADLP COCC[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000054361840 441574036 /nfs/dbraw/zinc/57/40/36/441574036.db2.gz XRDHRAPOYAPCNQ-UHFFFAOYSA-N 2 2 349.479 1.135 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000113247349 441591571 /nfs/dbraw/zinc/59/15/71/441591571.db2.gz MTEODLZCIUUVCL-OAHLLOKOSA-N 2 2 333.480 1.652 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000113247349 441591577 /nfs/dbraw/zinc/59/15/77/441591577.db2.gz MTEODLZCIUUVCL-OAHLLOKOSA-N 2 2 333.480 1.652 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926377 441596137 /nfs/dbraw/zinc/59/61/37/441596137.db2.gz CPJQEQSILRXRJV-INIZCTEOSA-N 2 2 341.459 1.290 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000034685338 441601167 /nfs/dbraw/zinc/60/11/67/441601167.db2.gz CIXFLZMKDYVUKO-UHFFFAOYSA-N 2 2 336.867 1.236 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000113592161 441616577 /nfs/dbraw/zinc/61/65/77/441616577.db2.gz WRYXDECVTZXXHB-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000113592161 441616580 /nfs/dbraw/zinc/61/65/80/441616580.db2.gz WRYXDECVTZXXHB-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000076343421 441632927 /nfs/dbraw/zinc/63/29/27/441632927.db2.gz SINXRLIQNMREEG-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000076343421 441632932 /nfs/dbraw/zinc/63/29/32/441632932.db2.gz SINXRLIQNMREEG-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000114458950 441658649 /nfs/dbraw/zinc/65/86/49/441658649.db2.gz HDEAFPRVHHAZBA-MSOLQXFVSA-N 2 2 349.475 1.549 20 0 EDADLP CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000114458950 441658653 /nfs/dbraw/zinc/65/86/53/441658653.db2.gz HDEAFPRVHHAZBA-MSOLQXFVSA-N 2 2 349.475 1.549 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)Cn2cc[nH+]c2)cc1 ZINC000076830514 441687503 /nfs/dbraw/zinc/68/75/03/441687503.db2.gz FDZAATCUTNBLEG-KRWDZBQOSA-N 2 2 328.416 1.381 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc[nH+]2)C1 ZINC000091479942 441705381 /nfs/dbraw/zinc/70/53/81/441705381.db2.gz APJVJITXYPRKGJ-LSDHHAIUSA-N 2 2 342.447 1.792 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)[nH+]cn2)C1 ZINC000091479942 441705383 /nfs/dbraw/zinc/70/53/83/441705383.db2.gz APJVJITXYPRKGJ-LSDHHAIUSA-N 2 2 342.447 1.792 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCCn1cc[nH+]c1)c1c(F)cccc1F ZINC000115779214 441774722 /nfs/dbraw/zinc/77/47/22/441774722.db2.gz RHTSVEVJDHYZJS-CQSZACIVSA-N 2 2 337.374 1.763 20 0 EDADLP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000057120426 441787984 /nfs/dbraw/zinc/78/79/84/441787984.db2.gz ASWMQDRFEYYRPS-GOSISDBHSA-N 2 2 345.487 1.878 20 0 EDADLP CC(C)(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000057120426 441787990 /nfs/dbraw/zinc/78/79/90/441787990.db2.gz ASWMQDRFEYYRPS-GOSISDBHSA-N 2 2 345.487 1.878 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2cscn2)CC1 ZINC000159115571 441788978 /nfs/dbraw/zinc/78/89/78/441788978.db2.gz UVTLPIGMVGYKJY-UHFFFAOYSA-N 2 2 325.482 1.011 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000122626215 441857936 /nfs/dbraw/zinc/85/79/36/441857936.db2.gz IMMJNBPPNGOKIH-CYBMUJFWSA-N 2 2 326.238 1.093 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000122626215 441857940 /nfs/dbraw/zinc/85/79/40/441857940.db2.gz IMMJNBPPNGOKIH-CYBMUJFWSA-N 2 2 326.238 1.093 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NCc2cccs2)CC[N@@H+]1C ZINC000123061579 441875135 /nfs/dbraw/zinc/87/51/35/441875135.db2.gz RUXIAPHOIVDJJR-QWHCGFSZSA-N 2 2 338.477 1.488 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000068937259 441871730 /nfs/dbraw/zinc/87/17/30/441871730.db2.gz CPZYGSPXAMJXFC-ILOCAZANSA-N 2 2 337.508 1.863 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000068937259 441871735 /nfs/dbraw/zinc/87/17/35/441871735.db2.gz CPZYGSPXAMJXFC-ILOCAZANSA-N 2 2 337.508 1.863 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000068937259 441871738 /nfs/dbraw/zinc/87/17/38/441871738.db2.gz CPZYGSPXAMJXFC-ILOCAZANSA-N 2 2 337.508 1.863 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000068937259 441871739 /nfs/dbraw/zinc/87/17/39/441871739.db2.gz CPZYGSPXAMJXFC-ILOCAZANSA-N 2 2 337.508 1.863 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856944 441826857 /nfs/dbraw/zinc/82/68/57/441826857.db2.gz SJNUDQWHQNFHKW-CJNGLKHVSA-N 2 2 330.432 1.140 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856944 441826861 /nfs/dbraw/zinc/82/68/61/441826861.db2.gz SJNUDQWHQNFHKW-CJNGLKHVSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856944 441826865 /nfs/dbraw/zinc/82/68/65/441826865.db2.gz SJNUDQWHQNFHKW-CJNGLKHVSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856944 441826867 /nfs/dbraw/zinc/82/68/67/441826867.db2.gz SJNUDQWHQNFHKW-CJNGLKHVSA-N 2 2 330.432 1.140 20 0 EDADLP c1nc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000174384253 441919875 /nfs/dbraw/zinc/91/98/75/441919875.db2.gz CEBFXKWAHRPZCV-INIZCTEOSA-N 2 2 347.463 1.051 20 0 EDADLP CC[N@H+](CCS(C)(=O)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394545 441921542 /nfs/dbraw/zinc/92/15/42/441921542.db2.gz XHKFUSHAPZEJNX-UHFFFAOYSA-N 2 2 325.478 1.665 20 0 EDADLP CC[N@@H+](CCS(C)(=O)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394545 441921546 /nfs/dbraw/zinc/92/15/46/441921546.db2.gz XHKFUSHAPZEJNX-UHFFFAOYSA-N 2 2 325.478 1.665 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NCc2cccs2)CC[N@H+]1C ZINC000123061579 441875141 /nfs/dbraw/zinc/87/51/41/441875141.db2.gz RUXIAPHOIVDJJR-QWHCGFSZSA-N 2 2 338.477 1.488 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC(=O)NCc2cccs2)CC[NH+]1C ZINC000123061579 441875146 /nfs/dbraw/zinc/87/51/46/441875146.db2.gz RUXIAPHOIVDJJR-QWHCGFSZSA-N 2 2 338.477 1.488 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2cccs2)CC[NH+]1C ZINC000123061579 441875150 /nfs/dbraw/zinc/87/51/50/441875150.db2.gz RUXIAPHOIVDJJR-QWHCGFSZSA-N 2 2 338.477 1.488 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123176557 441878921 /nfs/dbraw/zinc/87/89/21/441878921.db2.gz WSIASBMMOKKPRS-OAGGEKHMSA-N 2 2 339.480 1.345 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123176557 441878925 /nfs/dbraw/zinc/87/89/25/441878925.db2.gz WSIASBMMOKKPRS-OAGGEKHMSA-N 2 2 339.480 1.345 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123176557 441878929 /nfs/dbraw/zinc/87/89/29/441878929.db2.gz WSIASBMMOKKPRS-OAGGEKHMSA-N 2 2 339.480 1.345 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123176557 441878934 /nfs/dbraw/zinc/87/89/34/441878934.db2.gz WSIASBMMOKKPRS-OAGGEKHMSA-N 2 2 339.480 1.345 20 0 EDADLP CCSCC[C@H](C)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000174031878 441880926 /nfs/dbraw/zinc/88/09/26/441880926.db2.gz NSKNXDVTHWVJTJ-HNNXBMFYSA-N 2 2 345.553 1.677 20 0 EDADLP CCSCC[C@H](C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000174031878 441880932 /nfs/dbraw/zinc/88/09/32/441880932.db2.gz NSKNXDVTHWVJTJ-HNNXBMFYSA-N 2 2 345.553 1.677 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775954 441968533 /nfs/dbraw/zinc/96/85/33/441968533.db2.gz JSZRGOALAQROGH-CRAIPNDOSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775954 441968539 /nfs/dbraw/zinc/96/85/39/441968539.db2.gz JSZRGOALAQROGH-CRAIPNDOSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775954 441968543 /nfs/dbraw/zinc/96/85/43/441968543.db2.gz JSZRGOALAQROGH-CRAIPNDOSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775954 441968550 /nfs/dbraw/zinc/96/85/50/441968550.db2.gz JSZRGOALAQROGH-CRAIPNDOSA-N 2 2 333.476 1.974 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000174873630 441976578 /nfs/dbraw/zinc/97/65/78/441976578.db2.gz SNGDGMBYGXLXMS-BZUAXINKSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000174873630 441976583 /nfs/dbraw/zinc/97/65/83/441976583.db2.gz SNGDGMBYGXLXMS-BZUAXINKSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000174873630 441976587 /nfs/dbraw/zinc/97/65/87/441976587.db2.gz SNGDGMBYGXLXMS-BZUAXINKSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000174873630 441976592 /nfs/dbraw/zinc/97/65/92/441976592.db2.gz SNGDGMBYGXLXMS-BZUAXINKSA-N 2 2 339.480 1.203 20 0 EDADLP NC(=O)N1CCC([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000124661902 441943160 /nfs/dbraw/zinc/94/31/60/441943160.db2.gz YMZLTVROMKQVBM-UHFFFAOYSA-N 2 2 345.491 1.331 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000119933004 441978352 /nfs/dbraw/zinc/97/83/52/441978352.db2.gz PYAKSYCOYYOGMU-MAUKXSAKSA-N 3 2 344.503 1.693 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000119933004 441978358 /nfs/dbraw/zinc/97/83/58/441978358.db2.gz PYAKSYCOYYOGMU-MAUKXSAKSA-N 3 2 344.503 1.693 20 0 EDADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174877447 441978392 /nfs/dbraw/zinc/97/83/92/441978392.db2.gz YKFPMGSGVOTHBH-ROUUACIJSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174877447 441978396 /nfs/dbraw/zinc/97/83/96/441978396.db2.gz YKFPMGSGVOTHBH-ROUUACIJSA-N 2 2 338.540 1.783 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000174690962 441954184 /nfs/dbraw/zinc/95/41/84/441954184.db2.gz STFASNQABRIWGP-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000174690962 441954191 /nfs/dbraw/zinc/95/41/91/441954191.db2.gz STFASNQABRIWGP-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)CC2)CCO1 ZINC000175140919 442008201 /nfs/dbraw/zinc/00/82/01/442008201.db2.gz LMDGECPQXRNVSZ-GDBMZVCRSA-N 2 2 332.448 1.472 20 0 EDADLP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)CC2)CCO1 ZINC000175140919 442008208 /nfs/dbraw/zinc/00/82/08/442008208.db2.gz LMDGECPQXRNVSZ-GDBMZVCRSA-N 2 2 332.448 1.472 20 0 EDADLP COc1cc(F)ccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175168286 442011572 /nfs/dbraw/zinc/01/15/72/442011572.db2.gz CTARSDNICUHEEF-UHFFFAOYSA-N 2 2 338.427 1.982 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000069803021 442042959 /nfs/dbraw/zinc/04/29/59/442042959.db2.gz YQYQXRPWLRMJLN-KRWDZBQOSA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000069803021 442042966 /nfs/dbraw/zinc/04/29/66/442042966.db2.gz YQYQXRPWLRMJLN-KRWDZBQOSA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000079610964 442068614 /nfs/dbraw/zinc/06/86/14/442068614.db2.gz RLUQJBKBWJAQBD-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000079610964 442068618 /nfs/dbraw/zinc/06/86/18/442068618.db2.gz RLUQJBKBWJAQBD-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP C[N@H+](CC[C@H]1CCOC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000120672729 442116026 /nfs/dbraw/zinc/11/60/26/442116026.db2.gz DDRMSGJRUSRFLE-INIZCTEOSA-N 2 2 331.460 1.974 20 0 EDADLP C[N@@H+](CC[C@H]1CCOC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000120672729 442116031 /nfs/dbraw/zinc/11/60/31/442116031.db2.gz DDRMSGJRUSRFLE-INIZCTEOSA-N 2 2 331.460 1.974 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118406 /nfs/dbraw/zinc/11/84/06/442118406.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 3 2 331.504 1.726 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118411 /nfs/dbraw/zinc/11/84/11/442118411.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 3 2 331.504 1.726 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175781731 442121817 /nfs/dbraw/zinc/12/18/17/442121817.db2.gz MCGYPEQDPPSGHZ-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000175781731 442121822 /nfs/dbraw/zinc/12/18/22/442121822.db2.gz MCGYPEQDPPSGHZ-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000121161018 442185497 /nfs/dbraw/zinc/18/54/97/442185497.db2.gz MDJZJYHTTTXPGX-ZBFHGGJFSA-N 2 2 325.478 1.178 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000121161018 442185500 /nfs/dbraw/zinc/18/55/00/442185500.db2.gz MDJZJYHTTTXPGX-ZBFHGGJFSA-N 2 2 325.478 1.178 20 0 EDADLP C[NH+](C)C1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCOCC1 ZINC000121190461 442189715 /nfs/dbraw/zinc/18/97/15/442189715.db2.gz OCXJGTVUYALTJZ-HNNXBMFYSA-N 2 2 347.463 1.070 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000121001861 442164377 /nfs/dbraw/zinc/16/43/77/442164377.db2.gz NWAKYRNADADJET-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000121001861 442164379 /nfs/dbraw/zinc/16/43/79/442164379.db2.gz NWAKYRNADADJET-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000165695889 442210730 /nfs/dbraw/zinc/21/07/30/442210730.db2.gz FSSUBDYKMPTULQ-LLVKDONJSA-N 2 2 337.221 1.855 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000165695757 442211157 /nfs/dbraw/zinc/21/11/57/442211157.db2.gz FSSUBDYKMPTULQ-NSHDSACASA-N 2 2 337.221 1.855 20 0 EDADLP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000176360153 442214881 /nfs/dbraw/zinc/21/48/81/442214881.db2.gz MEWSOKBPZZUTRH-MRXNPFEDSA-N 2 2 332.448 1.331 20 0 EDADLP Cc1cc(N2CCC(N(C)C(=O)C3([NH3+])CC3)CC2)nc(C(C)C)[nH+]1 ZINC000167610703 442221651 /nfs/dbraw/zinc/22/16/51/442221651.db2.gz XKIIPZBMJIPFTB-UHFFFAOYSA-N 2 2 331.464 1.827 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000176441357 442222876 /nfs/dbraw/zinc/22/28/76/442222876.db2.gz YFRYLMSCDYKJQL-UHFFFAOYSA-N 2 2 349.479 1.236 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)cc1 ZINC000168948565 442225548 /nfs/dbraw/zinc/22/55/48/442225548.db2.gz GKWPAPIABLAPTL-KRWDZBQOSA-N 2 2 335.492 1.736 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000177143074 442304584 /nfs/dbraw/zinc/30/45/84/442304584.db2.gz GEJHDKUWBDRPBK-UHFFFAOYSA-N 2 2 329.488 1.860 20 0 EDADLP Cn1c[nH+]cc1CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000177049350 442290618 /nfs/dbraw/zinc/29/06/18/442290618.db2.gz NHUSOFSGINGUQA-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP Cn1c[nH+]cc1CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000177049350 442290619 /nfs/dbraw/zinc/29/06/19/442290619.db2.gz NHUSOFSGINGUQA-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000177129876 442302200 /nfs/dbraw/zinc/30/22/00/442302200.db2.gz HWIQZQVFTSVEDM-QGZVFWFLSA-N 2 2 335.423 1.271 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000171195272 442325617 /nfs/dbraw/zinc/32/56/17/442325617.db2.gz HNLSVMCLSZMXLR-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000171195272 442325618 /nfs/dbraw/zinc/32/56/18/442325618.db2.gz HNLSVMCLSZMXLR-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000129632965 442325830 /nfs/dbraw/zinc/32/58/30/442325830.db2.gz SGHTUAKVDJJEKT-WMZOPIPTSA-N 3 2 347.507 1.755 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000129632965 442325831 /nfs/dbraw/zinc/32/58/31/442325831.db2.gz SGHTUAKVDJJEKT-WMZOPIPTSA-N 3 2 347.507 1.755 20 0 EDADLP C[C@@H]1C[NH+](CC2CCN(C(=O)NCCn3cc[nH+]c3)CC2)C[C@@H](C)O1 ZINC000171325750 442341620 /nfs/dbraw/zinc/34/16/20/442341620.db2.gz QESGCHSQIQDOMN-HZPDHXFCSA-N 2 2 349.479 1.414 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)c1 ZINC000153928999 442311484 /nfs/dbraw/zinc/31/14/84/442311484.db2.gz MKBXUBPXSATXFQ-HNNXBMFYSA-N 2 2 325.416 1.498 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000131564703 442375177 /nfs/dbraw/zinc/37/51/77/442375177.db2.gz XTAISYIPHDOXLT-IBGZPJMESA-N 2 2 349.475 1.090 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@]3(C)CCCO3)CC2)CC1 ZINC000155180769 442380526 /nfs/dbraw/zinc/38/05/26/442380526.db2.gz QZSAEPZRTSNUMW-GOSISDBHSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000130978236 442361243 /nfs/dbraw/zinc/36/12/43/442361243.db2.gz CSKVBCWMLNCYMV-OAHLLOKOSA-N 2 2 333.501 1.598 20 0 EDADLP C[C@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000130978236 442361245 /nfs/dbraw/zinc/36/12/45/442361245.db2.gz CSKVBCWMLNCYMV-OAHLLOKOSA-N 2 2 333.501 1.598 20 0 EDADLP C[N@H+](CCCS(N)(=O)=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268479 442433606 /nfs/dbraw/zinc/43/36/06/442433606.db2.gz SYHDGUUUHHPDJI-UHFFFAOYSA-N 2 2 325.478 1.261 20 0 EDADLP C[N@@H+](CCCS(N)(=O)=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268479 442433607 /nfs/dbraw/zinc/43/36/07/442433607.db2.gz SYHDGUUUHHPDJI-UHFFFAOYSA-N 2 2 325.478 1.261 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156202832 442454729 /nfs/dbraw/zinc/45/47/29/442454729.db2.gz QHTUJWFLEXHMRR-SJORKVTESA-N 2 2 326.444 1.735 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000186219983 442489264 /nfs/dbraw/zinc/48/92/64/442489264.db2.gz GCSBSBICLXLJDJ-UHFFFAOYSA-N 2 2 345.447 1.785 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NC(=O)NC1CCCC1 ZINC000172578514 442495830 /nfs/dbraw/zinc/49/58/30/442495830.db2.gz UXIWAFAJHWFINK-MRXNPFEDSA-N 2 2 336.480 1.705 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NC(=O)NC1CCCC1 ZINC000172578514 442495833 /nfs/dbraw/zinc/49/58/33/442495833.db2.gz UXIWAFAJHWFINK-MRXNPFEDSA-N 2 2 336.480 1.705 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000157019953 442542126 /nfs/dbraw/zinc/54/21/26/442542126.db2.gz ZIAHXFGJRJWYCB-GOSISDBHSA-N 2 2 346.475 1.523 20 0 EDADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[NH+](C2CC2)CC1 ZINC000172837110 442551768 /nfs/dbraw/zinc/55/17/68/442551768.db2.gz PWCBXSOLISZHLT-IBGZPJMESA-N 2 2 343.471 1.584 20 0 EDADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[NH+](C2CC2)CC1 ZINC000172837110 442551774 /nfs/dbraw/zinc/55/17/74/442551774.db2.gz PWCBXSOLISZHLT-IBGZPJMESA-N 2 2 343.471 1.584 20 0 EDADLP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172837110 442551777 /nfs/dbraw/zinc/55/17/77/442551777.db2.gz PWCBXSOLISZHLT-IBGZPJMESA-N 2 2 343.471 1.584 20 0 EDADLP O=C([C@@H]1C[NH+](Cc2ccccc2)CCO1)N1CCC[N@H+](C2CC2)CC1 ZINC000172837110 442551783 /nfs/dbraw/zinc/55/17/83/442551783.db2.gz PWCBXSOLISZHLT-IBGZPJMESA-N 2 2 343.471 1.584 20 0 EDADLP C[C@H](C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000186357335 442519224 /nfs/dbraw/zinc/51/92/24/442519224.db2.gz SISNDYFZHUFJHA-OAHLLOKOSA-N 2 2 346.450 1.372 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000180219860 442560294 /nfs/dbraw/zinc/56/02/94/442560294.db2.gz XJDPODJDQYHJTP-JKSUJKDBSA-N 2 2 334.464 1.205 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000180219860 442560298 /nfs/dbraw/zinc/56/02/98/442560298.db2.gz XJDPODJDQYHJTP-JKSUJKDBSA-N 2 2 334.464 1.205 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187015046 442645144 /nfs/dbraw/zinc/64/51/44/442645144.db2.gz FPCBAJSWESHXOO-UKRRQHHQSA-N 2 2 338.452 1.648 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187015046 442645147 /nfs/dbraw/zinc/64/51/47/442645147.db2.gz FPCBAJSWESHXOO-UKRRQHHQSA-N 2 2 338.452 1.648 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000173173139 442616470 /nfs/dbraw/zinc/61/64/70/442616470.db2.gz CEAIQOYZPKTFCB-HNNXBMFYSA-N 2 2 337.468 1.449 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000173173139 442616476 /nfs/dbraw/zinc/61/64/76/442616476.db2.gz CEAIQOYZPKTFCB-HNNXBMFYSA-N 2 2 337.468 1.449 20 0 EDADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2C1 ZINC000173223054 442627587 /nfs/dbraw/zinc/62/75/87/442627587.db2.gz MMONHQFLTGLQMX-QGZVFWFLSA-N 2 2 340.427 1.043 20 0 EDADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2C1 ZINC000173223054 442627593 /nfs/dbraw/zinc/62/75/93/442627593.db2.gz MMONHQFLTGLQMX-QGZVFWFLSA-N 2 2 340.427 1.043 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000186914229 442628966 /nfs/dbraw/zinc/62/89/66/442628966.db2.gz WYOGZNHQPIJOAC-UHFFFAOYSA-N 2 2 341.459 1.291 20 0 EDADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181040644 442677365 /nfs/dbraw/zinc/67/73/65/442677365.db2.gz IBOAJISUEUPVOQ-TVFCKZIOSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH+]ccc3N)c[nH+]2)C[C@@H](C)O1 ZINC000188063774 442706914 /nfs/dbraw/zinc/70/69/14/442706914.db2.gz DLAAYMBUWOBJRC-CHWSQXEVSA-N 2 2 341.415 1.602 20 0 EDADLP CC(C)[NH+]1CCN([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000192836948 442691641 /nfs/dbraw/zinc/69/16/41/442691641.db2.gz MCGCFDSQIUQGCN-QGZVFWFLSA-N 2 2 345.491 1.145 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000187962236 442700449 /nfs/dbraw/zinc/70/04/49/442700449.db2.gz CRLDRAKPIVGKDT-ZLKJLUDKSA-N 2 2 327.375 1.061 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cccc(O)c1 ZINC000181494967 442700581 /nfs/dbraw/zinc/70/05/81/442700581.db2.gz IKYAFVLASICXQN-OAHLLOKOSA-N 2 2 343.427 1.980 20 0 EDADLP Cc1c[nH+]ccc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000192547547 442661098 /nfs/dbraw/zinc/66/10/98/442661098.db2.gz MRUDJSPWLZFANS-UHFFFAOYSA-N 2 2 325.416 1.936 20 0 EDADLP O=S1(=O)CCC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000182322285 442757212 /nfs/dbraw/zinc/75/72/12/442757212.db2.gz UXIHHVMDWJIRME-INIZCTEOSA-N 2 2 333.457 1.641 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000188715083 442795929 /nfs/dbraw/zinc/79/59/29/442795929.db2.gz XZHWCPLUKDNBET-MYZSUADSSA-N 2 2 336.411 1.011 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246634674 442798824 /nfs/dbraw/zinc/79/88/24/442798824.db2.gz HXRDDAVENLARHQ-FGTMMUONSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246634674 442798830 /nfs/dbraw/zinc/79/88/30/442798830.db2.gz HXRDDAVENLARHQ-FGTMMUONSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[C@H]1[NH+](C)C ZINC000268074866 442837602 /nfs/dbraw/zinc/83/76/02/442837602.db2.gz MGZZWJJMIJLGCE-GOEBONIOSA-N 2 2 347.463 1.010 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000170694356 318430711 /nfs/dbraw/zinc/43/07/11/318430711.db2.gz UQGJUBNIVFMKND-UHFFFAOYSA-N 2 2 346.475 1.669 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1C ZINC000194324063 442877803 /nfs/dbraw/zinc/87/78/03/442877803.db2.gz WELNJHUVGRIJNH-QGZVFWFLSA-N 2 2 347.459 1.026 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC[N@@H+]1C ZINC000189157444 442888809 /nfs/dbraw/zinc/88/88/09/442888809.db2.gz FFLJFHTXFJFLGE-DZGCQCFKSA-N 2 2 326.462 1.025 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC[N@H+]1C ZINC000189157444 442888812 /nfs/dbraw/zinc/88/88/12/442888812.db2.gz FFLJFHTXFJFLGE-DZGCQCFKSA-N 2 2 326.462 1.025 20 0 EDADLP COC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000265740677 442902235 /nfs/dbraw/zinc/90/22/35/442902235.db2.gz CAQIGZUKZVULKB-LJQANCHMSA-N 2 2 345.487 1.608 20 0 EDADLP COC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000265740677 442902239 /nfs/dbraw/zinc/90/22/39/442902239.db2.gz CAQIGZUKZVULKB-LJQANCHMSA-N 2 2 345.487 1.608 20 0 EDADLP C[C@H](CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000184837840 318539314 /nfs/dbraw/zinc/53/93/14/318539314.db2.gz PRTIHSGTDYJSJT-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](C)C[C@H]3C(N)=O)c2cc1C ZINC000249588004 442991307 /nfs/dbraw/zinc/99/13/07/442991307.db2.gz ULLHFGPGKQYWSX-PNPHSEOMSA-N 2 2 344.459 1.600 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](C)C[C@H]3C(N)=O)c2cc1C ZINC000249588004 442991311 /nfs/dbraw/zinc/99/13/11/442991311.db2.gz ULLHFGPGKQYWSX-PNPHSEOMSA-N 2 2 344.459 1.600 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1CO ZINC000190338690 443087547 /nfs/dbraw/zinc/08/75/47/443087547.db2.gz UUOVBGXKUIFECL-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C\c2ccc3c(c2)OCO3)CC1 ZINC000255162896 443088492 /nfs/dbraw/zinc/08/84/92/443088492.db2.gz FEUCALZZRGOBBX-XQRVVYSFSA-N 2 2 345.443 1.571 20 0 EDADLP Cc1nc(C)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1C ZINC000184886195 443091666 /nfs/dbraw/zinc/09/16/66/443091666.db2.gz QMJLPFVOQMFHHY-UHFFFAOYSA-N 2 2 345.491 1.690 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000268749902 443096782 /nfs/dbraw/zinc/09/67/82/443096782.db2.gz HDDHLRPPQSDBRL-CQSZACIVSA-N 2 2 327.494 1.976 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000268749902 443096786 /nfs/dbraw/zinc/09/67/86/443096786.db2.gz HDDHLRPPQSDBRL-CQSZACIVSA-N 2 2 327.494 1.976 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000190281437 443080207 /nfs/dbraw/zinc/08/02/07/443080207.db2.gz MFMDYJGTBZKOSM-CQSZACIVSA-N 2 2 329.366 1.890 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000190281437 443080211 /nfs/dbraw/zinc/08/02/11/443080211.db2.gz MFMDYJGTBZKOSM-CQSZACIVSA-N 2 2 329.366 1.890 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]([NH3+])CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000236702185 443144508 /nfs/dbraw/zinc/14/45/08/443144508.db2.gz XXZRGDYOEANYLM-OAHLLOKOSA-N 2 2 333.480 1.930 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)CC[N@@H+]1C ZINC000268792028 443110092 /nfs/dbraw/zinc/11/00/92/443110092.db2.gz GLURUQQICMVQSO-CRAIPNDOSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)CC[N@H+]1C ZINC000268792028 443110097 /nfs/dbraw/zinc/11/00/97/443110097.db2.gz GLURUQQICMVQSO-CRAIPNDOSA-N 2 2 331.460 1.731 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC2)cc[nH+]1 ZINC000185035822 443122977 /nfs/dbraw/zinc/12/29/77/443122977.db2.gz GHQKIRIYFIQLCZ-AWEZNQCLSA-N 2 2 348.495 1.593 20 0 EDADLP Cc1cn2cc(NC(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)ccc2[nH+]1 ZINC000266426474 443123407 /nfs/dbraw/zinc/12/34/07/443123407.db2.gz MDEHZOXGLSVHMO-CQSZACIVSA-N 2 2 344.463 1.648 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262049192 443181240 /nfs/dbraw/zinc/18/12/40/443181240.db2.gz UVDHDBPIGIXYBE-HNNXBMFYSA-N 2 2 345.834 1.496 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000262240806 443187553 /nfs/dbraw/zinc/18/75/53/443187553.db2.gz BJNXGIADWDUMFG-RCCFBDPRSA-N 2 2 331.460 1.694 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@]4(CCOC4)C3)c2cc1C ZINC000185156700 443149662 /nfs/dbraw/zinc/14/96/62/443149662.db2.gz XVSLONNNNKLBPW-QFBILLFUSA-N 2 2 345.443 1.505 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@]4(CCOC4)C3)c2cc1C ZINC000185156700 443149666 /nfs/dbraw/zinc/14/96/66/443149666.db2.gz XVSLONNNNKLBPW-QFBILLFUSA-N 2 2 345.443 1.505 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000261644588 443162135 /nfs/dbraw/zinc/16/21/35/443162135.db2.gz FCLHMPGWFUCHBN-UHFFFAOYSA-N 2 2 333.329 1.708 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000261644588 443162145 /nfs/dbraw/zinc/16/21/45/443162145.db2.gz FCLHMPGWFUCHBN-UHFFFAOYSA-N 2 2 333.329 1.708 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)C3(CO)CCOCC3)c2cc1C ZINC000191012967 443224901 /nfs/dbraw/zinc/22/49/01/443224901.db2.gz PZYYVFXFWNAYSW-INIZCTEOSA-N 2 2 347.459 1.487 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)C3(CO)CCOCC3)c2cc1C ZINC000191012967 443224905 /nfs/dbraw/zinc/22/49/05/443224905.db2.gz PZYYVFXFWNAYSW-INIZCTEOSA-N 2 2 347.459 1.487 20 0 EDADLP C[C@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686511 443239109 /nfs/dbraw/zinc/23/91/09/443239109.db2.gz FTDPYESZJCXBCY-KBPBESRZSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686511 443239110 /nfs/dbraw/zinc/23/91/10/443239110.db2.gz FTDPYESZJCXBCY-KBPBESRZSA-N 2 2 329.448 1.765 20 0 EDADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000269224791 443239859 /nfs/dbraw/zinc/23/98/59/443239859.db2.gz COJPVIVJDNJJPO-MRXNPFEDSA-N 2 2 337.851 1.363 20 0 EDADLP C[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000269117980 443203413 /nfs/dbraw/zinc/20/34/13/443203413.db2.gz XEAFBKHRCFCWFL-MRXNPFEDSA-N 2 2 331.460 1.590 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCn2cc[nH+]c2C1 ZINC000332998491 318976350 /nfs/dbraw/zinc/97/63/50/318976350.db2.gz HYLOICIVDUEESQ-HOTGVXAUSA-N 2 2 347.463 1.176 20 0 EDADLP NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266711458 443215954 /nfs/dbraw/zinc/21/59/54/443215954.db2.gz FPQIHRJZYLUDIS-UHFFFAOYSA-N 2 2 347.444 1.778 20 0 EDADLP CC(C)C[C@H](CO)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000185732108 443247024 /nfs/dbraw/zinc/24/70/24/443247024.db2.gz YKCUGVMHVVBURH-MRXNPFEDSA-N 2 2 328.501 1.061 20 0 EDADLP C[NH+](C)CCOc1ccc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)cc1 ZINC000351200240 319095938 /nfs/dbraw/zinc/09/59/38/319095938.db2.gz KXZUKRNWLQWLFC-HNNXBMFYSA-N 2 2 332.404 1.680 20 0 EDADLP C[NH+](C)CCOc1ccc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)cc1 ZINC000351200240 319095939 /nfs/dbraw/zinc/09/59/39/319095939.db2.gz KXZUKRNWLQWLFC-HNNXBMFYSA-N 2 2 332.404 1.680 20 0 EDADLP COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652055 319112217 /nfs/dbraw/zinc/11/22/17/319112217.db2.gz UGGADKDNNOPNHQ-CQSZACIVSA-N 2 2 335.448 1.411 20 0 EDADLP COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652055 319112218 /nfs/dbraw/zinc/11/22/18/319112218.db2.gz UGGADKDNNOPNHQ-CQSZACIVSA-N 2 2 335.448 1.411 20 0 EDADLP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652081 319112259 /nfs/dbraw/zinc/11/22/59/319112259.db2.gz UJVAYOYILVLVNY-CVEARBPZSA-N 2 2 345.487 1.741 20 0 EDADLP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652081 319112260 /nfs/dbraw/zinc/11/22/60/319112260.db2.gz UJVAYOYILVLVNY-CVEARBPZSA-N 2 2 345.487 1.741 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360535476 319117776 /nfs/dbraw/zinc/11/77/76/319117776.db2.gz PUWCLTJXEJXBRX-LJQANCHMSA-N 2 2 329.444 1.660 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360535476 319117778 /nfs/dbraw/zinc/11/77/78/319117778.db2.gz PUWCLTJXEJXBRX-LJQANCHMSA-N 2 2 329.444 1.660 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000385394274 319128097 /nfs/dbraw/zinc/12/80/97/319128097.db2.gz AEQKRVYDDPUXBK-RYQLBKOJSA-N 2 2 334.460 1.943 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000385394274 319128100 /nfs/dbraw/zinc/12/81/00/319128100.db2.gz AEQKRVYDDPUXBK-RYQLBKOJSA-N 2 2 334.460 1.943 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(C)[nH+]1 ZINC000411378739 319181583 /nfs/dbraw/zinc/18/15/83/319181583.db2.gz CTTSDJLXZCSGOB-HNNXBMFYSA-N 2 2 332.448 1.746 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c(C)[nH+]1 ZINC000411378739 319181584 /nfs/dbraw/zinc/18/15/84/319181584.db2.gz CTTSDJLXZCSGOB-HNNXBMFYSA-N 2 2 332.448 1.746 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264225026 443256108 /nfs/dbraw/zinc/25/61/08/443256108.db2.gz LAIDIXNSMLPAEX-AEFFLSMTSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264225026 443256111 /nfs/dbraw/zinc/25/61/11/443256111.db2.gz LAIDIXNSMLPAEX-AEFFLSMTSA-N 2 2 331.460 1.395 20 0 EDADLP COCC1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000413398457 319266488 /nfs/dbraw/zinc/26/64/88/319266488.db2.gz HREMBJMKXDJFRA-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP COCCNC(=O)C1([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000414211067 319320424 /nfs/dbraw/zinc/32/04/24/319320424.db2.gz OEXOEKUCIAXVIN-NVXWUHKLSA-N 2 2 337.508 1.914 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687880 319343014 /nfs/dbraw/zinc/34/30/14/319343014.db2.gz CPAXWOBWFDDDFZ-YOEHRIQHSA-N 2 2 333.432 1.030 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687880 319343017 /nfs/dbraw/zinc/34/30/17/319343017.db2.gz CPAXWOBWFDDDFZ-YOEHRIQHSA-N 2 2 333.432 1.030 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000415083300 319345976 /nfs/dbraw/zinc/34/59/76/319345976.db2.gz PQOBVRZHJWIUHU-IAGOWNOFSA-N 3 2 333.476 1.485 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415741869 319369097 /nfs/dbraw/zinc/36/90/97/319369097.db2.gz KHVXOCJJFWEHBD-MLGOLLRUSA-N 2 2 340.383 1.761 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415792811 319370521 /nfs/dbraw/zinc/37/05/21/319370521.db2.gz SOCKZDCBDHHEGE-QMMMGPOBSA-N 2 2 330.230 1.721 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)C[C@H]1[NH3+] ZINC000415837380 319376769 /nfs/dbraw/zinc/37/67/69/319376769.db2.gz KOJBKWBLZXRUDY-ZWNOBZJWSA-N 2 2 341.415 1.195 20 0 EDADLP CC(C)(CNC(=O)CC[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000416118776 319390023 /nfs/dbraw/zinc/39/00/23/319390023.db2.gz ANWKZJFOYDSPPG-UHFFFAOYSA-N 2 2 345.487 1.662 20 0 EDADLP CC(C)(CNC(=O)CC[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000416118776 319390026 /nfs/dbraw/zinc/39/00/26/319390026.db2.gz ANWKZJFOYDSPPG-UHFFFAOYSA-N 2 2 345.487 1.662 20 0 EDADLP C[N@@H+]1CC[C@@H](CNC(=O)c2c3ccccc3nc3c2C[NH+](C)CC3)C1 ZINC000416130843 319391567 /nfs/dbraw/zinc/39/15/67/319391567.db2.gz IWTIXEILCNCSGV-AWEZNQCLSA-N 2 2 338.455 1.904 20 0 EDADLP C[N@H+]1CC[C@@H](CNC(=O)c2c3ccccc3nc3c2C[NH+](C)CC3)C1 ZINC000416130843 319391569 /nfs/dbraw/zinc/39/15/69/319391569.db2.gz IWTIXEILCNCSGV-AWEZNQCLSA-N 2 2 338.455 1.904 20 0 EDADLP C[NH+]1CC[C@@H](CNC(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)C1 ZINC000416130843 319391570 /nfs/dbraw/zinc/39/15/70/319391570.db2.gz IWTIXEILCNCSGV-AWEZNQCLSA-N 2 2 338.455 1.904 20 0 EDADLP C[NH+]1CC[C@@H](CNC(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)C1 ZINC000416130843 319391572 /nfs/dbraw/zinc/39/15/72/319391572.db2.gz IWTIXEILCNCSGV-AWEZNQCLSA-N 2 2 338.455 1.904 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)Cc2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000266887507 443279549 /nfs/dbraw/zinc/27/95/49/443279549.db2.gz HXGKBQYPBMDXSO-YQVWRLOYSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)Cc2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000266887507 443279557 /nfs/dbraw/zinc/27/95/57/443279557.db2.gz HXGKBQYPBMDXSO-YQVWRLOYSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC[NH+]1C[C@H](C)O ZINC000266887507 443279563 /nfs/dbraw/zinc/27/95/63/443279563.db2.gz HXGKBQYPBMDXSO-YQVWRLOYSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266895859 443283799 /nfs/dbraw/zinc/28/37/99/443283799.db2.gz FFABICPGKKCSAI-JKSUJKDBSA-N 2 2 341.459 1.808 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264471225 443303652 /nfs/dbraw/zinc/30/36/52/443303652.db2.gz GLYYHULKEVQRTE-MRXNPFEDSA-N 2 2 325.416 1.968 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000266962945 443304816 /nfs/dbraw/zinc/30/48/16/443304816.db2.gz XCCWZLPYPUIBAX-OAHLLOKOSA-N 2 2 334.395 1.121 20 0 EDADLP CCC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000186063355 443304980 /nfs/dbraw/zinc/30/49/80/443304980.db2.gz ZNCRSMVISKZPON-ROUUACIJSA-N 2 2 346.475 1.446 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000416850758 319466454 /nfs/dbraw/zinc/46/64/54/319466454.db2.gz KLSMYGZONJZQHL-HNNXBMFYSA-N 2 2 345.447 1.494 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416862391 319467603 /nfs/dbraw/zinc/46/76/03/319467603.db2.gz LJCYOLFFGZXNNM-DOTOQJQBSA-N 2 2 346.475 1.398 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000416888060 319469360 /nfs/dbraw/zinc/46/93/60/319469360.db2.gz PMIAXZLGVWEXRH-NXHRZFHOSA-N 2 2 346.475 1.499 20 0 EDADLP COCC[NH2+]CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416937807 319479312 /nfs/dbraw/zinc/47/93/12/319479312.db2.gz JRVLNXULSMWETR-UHFFFAOYSA-N 2 2 335.452 1.107 20 0 EDADLP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)nn1C ZINC000282414265 443331949 /nfs/dbraw/zinc/33/19/49/443331949.db2.gz YIHSKPXZIPCUDN-OAHLLOKOSA-N 2 2 343.475 1.871 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418689471 319511475 /nfs/dbraw/zinc/51/14/75/319511475.db2.gz BYXBKEOOGVQMKQ-KKUMJFAQSA-N 2 2 347.463 1.580 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCN(C(C)C)C(=O)C3)c2cc1C ZINC000272618547 443384566 /nfs/dbraw/zinc/38/45/66/443384566.db2.gz UJUCIHLYXSYQSX-INIZCTEOSA-N 2 2 344.459 1.567 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCN(C(C)C)C(=O)C3)c2cc1C ZINC000272618547 443384570 /nfs/dbraw/zinc/38/45/70/443384570.db2.gz UJUCIHLYXSYQSX-INIZCTEOSA-N 2 2 344.459 1.567 20 0 EDADLP C[C@H](C(=O)N(C)C)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000269670890 443388529 /nfs/dbraw/zinc/38/85/29/443388529.db2.gz XIPTZLZISWJGSU-MRXNPFEDSA-N 2 2 348.491 1.226 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c[nH+]1 ZINC000264642370 443358344 /nfs/dbraw/zinc/35/83/44/443358344.db2.gz VVMLBXLXGZNSTF-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2[nH+]ccn2C)CC1 ZINC000269597785 443359585 /nfs/dbraw/zinc/35/95/85/443359585.db2.gz GVIZPMPRCBAKMI-CQSZACIVSA-N 2 2 342.447 1.840 20 0 EDADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]([NH3+])CC(N)=O)c1 ZINC000269723013 443411121 /nfs/dbraw/zinc/41/11/21/443411121.db2.gz QOCCZAZXRMFJBZ-CQSZACIVSA-N 2 2 329.404 1.196 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)ccc2[nH+]1 ZINC000267431414 443454943 /nfs/dbraw/zinc/45/49/43/443454943.db2.gz GWQJUQDUTOBFLZ-HNNXBMFYSA-N 2 2 343.431 1.829 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC000279073680 443509631 /nfs/dbraw/zinc/50/96/31/443509631.db2.gz FLGYPUDRXSUGRX-ZDUSSCGKSA-N 2 2 325.478 1.602 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)[NH+]2CCOCC2)cc1 ZINC000423359653 319766376 /nfs/dbraw/zinc/76/63/76/319766376.db2.gz VCOKRNQRTKILQQ-MSOLQXFVSA-N 2 2 331.460 1.612 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423388364 319769569 /nfs/dbraw/zinc/76/95/69/319769569.db2.gz KNRRHKNMTNWFFG-CWRNSKLLSA-N 3 2 344.425 1.371 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000267627466 443519036 /nfs/dbraw/zinc/51/90/36/443519036.db2.gz POSSVLHLEYTSOB-GDBMZVCRSA-N 2 2 347.463 1.010 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000272102755 443527625 /nfs/dbraw/zinc/52/76/25/443527625.db2.gz OUPSJCDBXBEZKN-UHFFFAOYSA-N 2 2 326.404 1.328 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000272102755 443527628 /nfs/dbraw/zinc/52/76/28/443527628.db2.gz OUPSJCDBXBEZKN-UHFFFAOYSA-N 2 2 326.404 1.328 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000273200895 443560972 /nfs/dbraw/zinc/56/09/72/443560972.db2.gz RLYDWGKHHCYVHO-GJZGRUSLSA-N 2 2 336.432 1.346 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000283158862 443543894 /nfs/dbraw/zinc/54/38/94/443543894.db2.gz FTSZRNFAMQOPCS-MRXNPFEDSA-N 2 2 349.479 1.018 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000283158862 443543898 /nfs/dbraw/zinc/54/38/98/443543898.db2.gz FTSZRNFAMQOPCS-MRXNPFEDSA-N 2 2 349.479 1.018 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000430550519 319933187 /nfs/dbraw/zinc/93/31/87/319933187.db2.gz GQZNBFCTZMMQRM-AWEZNQCLSA-N 2 2 327.331 1.664 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000265345938 443611801 /nfs/dbraw/zinc/61/18/01/443611801.db2.gz CVUDPDJRSNDMSV-GOSISDBHSA-N 2 2 348.491 1.389 20 0 EDADLP CN(C(=O)c1ccncn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000275040303 443618658 /nfs/dbraw/zinc/61/86/58/443618658.db2.gz MFWHABGEWHCDBX-QZTJIDSGSA-N 2 2 345.491 1.886 20 0 EDADLP CN(C(=O)c1ccncn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000275040303 443618661 /nfs/dbraw/zinc/61/86/61/443618661.db2.gz MFWHABGEWHCDBX-QZTJIDSGSA-N 2 2 345.491 1.886 20 0 EDADLP C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280121843 443667848 /nfs/dbraw/zinc/66/78/48/443667848.db2.gz VGVCSAMMOWKGLH-ZWKOTPCHSA-N 2 2 336.501 1.875 20 0 EDADLP C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280121843 443667851 /nfs/dbraw/zinc/66/78/51/443667851.db2.gz VGVCSAMMOWKGLH-ZWKOTPCHSA-N 2 2 336.501 1.875 20 0 EDADLP C[NH+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280121843 443667855 /nfs/dbraw/zinc/66/78/55/443667855.db2.gz VGVCSAMMOWKGLH-ZWKOTPCHSA-N 2 2 336.501 1.875 20 0 EDADLP C[NH+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280121843 443667858 /nfs/dbraw/zinc/66/78/58/443667858.db2.gz VGVCSAMMOWKGLH-ZWKOTPCHSA-N 2 2 336.501 1.875 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449737331 320202792 /nfs/dbraw/zinc/20/27/92/320202792.db2.gz YZJUFEHCKQRWOH-ZWKOTPCHSA-N 2 2 329.444 1.343 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000453960455 320273200 /nfs/dbraw/zinc/27/32/00/320273200.db2.gz GEGFVKHBKZAALU-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000453960455 320273202 /nfs/dbraw/zinc/27/32/02/320273202.db2.gz GEGFVKHBKZAALU-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCO1 ZINC000458607935 320338367 /nfs/dbraw/zinc/33/83/67/320338367.db2.gz XVBSOBBMPZFXAN-QGZVFWFLSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[C@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000489351611 320359247 /nfs/dbraw/zinc/35/92/47/320359247.db2.gz QTSKRSCMQCQGLZ-LJQANCHMSA-N 2 2 345.487 1.931 20 0 EDADLP CC(C)[C@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000489351611 320359248 /nfs/dbraw/zinc/35/92/48/320359248.db2.gz QTSKRSCMQCQGLZ-LJQANCHMSA-N 2 2 345.487 1.931 20 0 EDADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000490883856 320364139 /nfs/dbraw/zinc/36/41/39/320364139.db2.gz JOCMYJVKUWERTO-IBGZPJMESA-N 2 2 343.475 1.509 20 0 EDADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)nc1 ZINC000492759263 320385011 /nfs/dbraw/zinc/38/50/11/320385011.db2.gz BTGFRRIHDCAGKP-XQRVVYSFSA-N 2 2 340.431 1.228 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc2)CC1 ZINC000492860810 320389181 /nfs/dbraw/zinc/38/91/81/320389181.db2.gz ISUGHTVNKCVADF-SREVYHEPSA-N 2 2 339.399 1.449 20 0 EDADLP C[NH+](C)CCc1ccc(CNc2[nH+]cnc(-n3cccn3)c2N)cc1 ZINC000276330424 443689220 /nfs/dbraw/zinc/68/92/20/443689220.db2.gz QJYASNQUPDGTRH-UHFFFAOYSA-N 2 2 337.431 1.961 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CCC2 ZINC000518847318 320460557 /nfs/dbraw/zinc/46/05/57/320460557.db2.gz HJJOWFUCNIZHSD-HUUCEWRRSA-N 2 2 327.432 1.953 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000519550226 320467216 /nfs/dbraw/zinc/46/72/16/320467216.db2.gz PSIFUACHWOKKAC-UHFFFAOYSA-N 2 2 344.463 1.030 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298523800 443791537 /nfs/dbraw/zinc/79/15/37/443791537.db2.gz CAQMTJKVNIQMRK-GFCCVEGCSA-N 2 2 339.403 1.771 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298523800 443791540 /nfs/dbraw/zinc/79/15/40/443791540.db2.gz CAQMTJKVNIQMRK-GFCCVEGCSA-N 2 2 339.403 1.771 20 0 EDADLP CN(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH+]cn1C ZINC000280811431 443748824 /nfs/dbraw/zinc/74/88/24/443748824.db2.gz RIUUHWMTKZHXMH-SJLPKXTDSA-N 2 2 341.459 1.414 20 0 EDADLP CN(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]cn1C ZINC000280811431 443748829 /nfs/dbraw/zinc/74/88/29/443748829.db2.gz RIUUHWMTKZHXMH-SJLPKXTDSA-N 2 2 341.459 1.414 20 0 EDADLP CC1(C)CC(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000528385638 320546534 /nfs/dbraw/zinc/54/65/34/320546534.db2.gz CDRPMDNBPCKXJV-UHFFFAOYSA-N 2 2 345.491 1.871 20 0 EDADLP CN(C)[C@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)c1c[nH+]cn1C ZINC000280867020 443763066 /nfs/dbraw/zinc/76/30/66/443763066.db2.gz XNZVRQUZULATIN-SFHVURJKSA-N 2 2 341.459 1.197 20 0 EDADLP CN(C)[C@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)c1c[nH+]cn1C ZINC000280867020 443763068 /nfs/dbraw/zinc/76/30/68/443763068.db2.gz XNZVRQUZULATIN-SFHVURJKSA-N 2 2 341.459 1.197 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292181388 443781561 /nfs/dbraw/zinc/78/15/61/443781561.db2.gz QMTNPNSXKNIXBJ-UGSOOPFHSA-N 2 2 331.416 1.770 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292181388 443781564 /nfs/dbraw/zinc/78/15/64/443781564.db2.gz QMTNPNSXKNIXBJ-UGSOOPFHSA-N 2 2 331.416 1.770 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292181388 443781567 /nfs/dbraw/zinc/78/15/67/443781567.db2.gz QMTNPNSXKNIXBJ-UGSOOPFHSA-N 2 2 331.416 1.770 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292181388 443781568 /nfs/dbraw/zinc/78/15/68/443781568.db2.gz QMTNPNSXKNIXBJ-UGSOOPFHSA-N 2 2 331.416 1.770 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000285061054 443840659 /nfs/dbraw/zinc/84/06/59/443840659.db2.gz VYWLNUBQILURMU-HKUYNNGSSA-N 2 2 342.443 1.851 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000285061054 443840664 /nfs/dbraw/zinc/84/06/64/443840664.db2.gz VYWLNUBQILURMU-HKUYNNGSSA-N 2 2 342.443 1.851 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CCO1 ZINC000298569768 443802977 /nfs/dbraw/zinc/80/29/77/443802977.db2.gz WWUFEYMVJFEZRN-FUHWJXTLSA-N 2 2 332.492 1.247 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000298569768 443802978 /nfs/dbraw/zinc/80/29/78/443802978.db2.gz WWUFEYMVJFEZRN-FUHWJXTLSA-N 2 2 332.492 1.247 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000288337092 443848865 /nfs/dbraw/zinc/84/88/65/443848865.db2.gz YLNVDFPRNYSBOZ-JSGCOSHPSA-N 2 2 332.404 1.114 20 0 EDADLP C[NH+]1CCN(c2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccn2)CC1 ZINC000298580457 443806731 /nfs/dbraw/zinc/80/67/31/443806731.db2.gz XTEICYXGNOGPAR-UHFFFAOYSA-N 3 2 329.492 1.550 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298894450 443895513 /nfs/dbraw/zinc/89/55/13/443895513.db2.gz LRUITGZKQJJEGH-HIFRSBDPSA-N 2 2 341.415 1.358 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292821928 443851462 /nfs/dbraw/zinc/85/14/62/443851462.db2.gz AYWKFKQOSBFFQG-FUHWJXTLSA-N 2 2 329.444 1.343 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2c2ccc[nH]2)C1 ZINC000298781199 443866848 /nfs/dbraw/zinc/86/68/48/443866848.db2.gz UFJDUQYCZUEMPZ-WMZOPIPTSA-N 2 2 348.491 1.625 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2c2ccc[nH]2)C1 ZINC000298781199 443866853 /nfs/dbraw/zinc/86/68/53/443866853.db2.gz UFJDUQYCZUEMPZ-WMZOPIPTSA-N 2 2 348.491 1.625 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)C1 ZINC000298781199 443866859 /nfs/dbraw/zinc/86/68/59/443866859.db2.gz UFJDUQYCZUEMPZ-WMZOPIPTSA-N 2 2 348.491 1.625 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)C1 ZINC000298781199 443866862 /nfs/dbraw/zinc/86/68/62/443866862.db2.gz UFJDUQYCZUEMPZ-WMZOPIPTSA-N 2 2 348.491 1.625 20 0 EDADLP CC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000281409083 443903136 /nfs/dbraw/zinc/90/31/36/443903136.db2.gz OALOERSHMQIAQP-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP CC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000281409083 443903140 /nfs/dbraw/zinc/90/31/40/443903140.db2.gz OALOERSHMQIAQP-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000293066551 443916152 /nfs/dbraw/zinc/91/61/52/443916152.db2.gz NFEYCXHSUPQXKX-JKSUJKDBSA-N 2 2 342.447 1.612 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000293066551 443916157 /nfs/dbraw/zinc/91/61/57/443916157.db2.gz NFEYCXHSUPQXKX-JKSUJKDBSA-N 2 2 342.447 1.612 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOc3ccc(C)cc3C2)CC1 ZINC000285585020 444038167 /nfs/dbraw/zinc/03/81/67/444038167.db2.gz OORKIHOZPXWFNZ-INIZCTEOSA-N 2 2 331.460 1.742 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOc3ccc(C)cc3C2)CC1 ZINC000285585020 444038170 /nfs/dbraw/zinc/03/81/70/444038170.db2.gz OORKIHOZPXWFNZ-INIZCTEOSA-N 2 2 331.460 1.742 20 0 EDADLP Cc1cc(Cl)nc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000281973096 444052799 /nfs/dbraw/zinc/05/27/99/444052799.db2.gz KDXKLBMYGWTASC-UHFFFAOYSA-N 2 2 346.866 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1C ZINC000558488387 321015353 /nfs/dbraw/zinc/01/53/53/321015353.db2.gz KPEIKJZKKRMPMW-UKRRQHHQSA-N 2 2 328.420 1.931 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1C ZINC000558488387 321015354 /nfs/dbraw/zinc/01/53/54/321015354.db2.gz KPEIKJZKKRMPMW-UKRRQHHQSA-N 2 2 328.420 1.931 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@@H]1CCCC[NH2+]C1 ZINC000561124591 321034166 /nfs/dbraw/zinc/03/41/66/321034166.db2.gz PHFDWLBNKSPDCR-QGZVFWFLSA-N 2 2 341.459 1.915 20 0 EDADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]CC2(C)CC2)CC1 ZINC000562347277 321052883 /nfs/dbraw/zinc/05/28/83/321052883.db2.gz RAWMZWPYSFFUGQ-UHFFFAOYSA-N 2 2 337.489 1.512 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]([NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000562803802 321077066 /nfs/dbraw/zinc/07/70/66/321077066.db2.gz CAWWAEMINNDLSJ-MRXNPFEDSA-N 3 2 337.512 1.069 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)Cn3cncn3)c2cc1C ZINC000562988435 321085165 /nfs/dbraw/zinc/08/51/65/321085165.db2.gz ZMONPOXPRMPYKZ-LSDHHAIUSA-N 2 2 328.420 1.284 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299592752 444089902 /nfs/dbraw/zinc/08/99/02/444089902.db2.gz WMOQXHWOJGRTKD-SFHVURJKSA-N 2 2 330.476 1.857 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299592752 444089908 /nfs/dbraw/zinc/08/99/08/444089908.db2.gz WMOQXHWOJGRTKD-SFHVURJKSA-N 2 2 330.476 1.857 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC000564442828 321131685 /nfs/dbraw/zinc/13/16/85/321131685.db2.gz BDGLVEKUIVCOLV-MDYRTPRTSA-N 2 2 343.471 1.870 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC000564442828 321131686 /nfs/dbraw/zinc/13/16/86/321131686.db2.gz BDGLVEKUIVCOLV-MDYRTPRTSA-N 2 2 343.471 1.870 20 0 EDADLP C[C@@H](C[NH2+]C[C@H](O)COCc1cccs1)C[NH+]1CCOCC1 ZINC000564853177 321151356 /nfs/dbraw/zinc/15/13/56/321151356.db2.gz BBCGLSZGDUBQPJ-GJZGRUSLSA-N 2 2 328.478 1.184 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCC(=O)N(C)C3)c2cc1C ZINC000564854677 321151698 /nfs/dbraw/zinc/15/16/98/321151698.db2.gz RUXMKELTGITUNP-CABCVRRESA-N 2 2 330.432 1.224 20 0 EDADLP Cn1c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)nc2ccccc2c1=O ZINC000564989158 321163067 /nfs/dbraw/zinc/16/30/67/321163067.db2.gz RIRZAIVQTFGFLY-CQSZACIVSA-N 2 2 342.443 1.121 20 0 EDADLP Cn1c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)nc2ccccc2c1=O ZINC000564989158 321163069 /nfs/dbraw/zinc/16/30/69/321163069.db2.gz RIRZAIVQTFGFLY-CQSZACIVSA-N 2 2 342.443 1.121 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299609942 444094066 /nfs/dbraw/zinc/09/40/66/444094066.db2.gz IWGGYQMSDIGAIO-DZGCQCFKSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299609942 444094069 /nfs/dbraw/zinc/09/40/69/444094069.db2.gz IWGGYQMSDIGAIO-DZGCQCFKSA-N 2 2 341.415 1.216 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000565252144 321179966 /nfs/dbraw/zinc/17/99/66/321179966.db2.gz ATPOWSQACWQUEC-IRXDYDNUSA-N 2 2 332.448 1.029 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@H]([NH3+])c3cscn3)CC2)nc(C)[nH+]1 ZINC000566190203 321221743 /nfs/dbraw/zinc/22/17/43/321221743.db2.gz BCQBDZDWTDRKRS-OAHLLOKOSA-N 2 2 346.460 1.335 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000567975756 321270217 /nfs/dbraw/zinc/27/02/17/321270217.db2.gz BAFZSOYMKPVYKW-WBVHZDCISA-N 2 2 332.448 1.159 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)CC2 ZINC000568222301 321282425 /nfs/dbraw/zinc/28/24/25/321282425.db2.gz MUEPTZABOGUQSQ-AWEZNQCLSA-N 2 2 340.418 1.847 20 0 EDADLP COc1cc2c(cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO)O[C@@H](C)C2 ZINC000568473411 321292437 /nfs/dbraw/zinc/29/24/37/321292437.db2.gz DEICENUPCKGCES-WMLDXEAASA-N 2 2 334.460 1.955 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cccc3cccnc32)C[C@H](C)O1 ZINC000568501176 321294603 /nfs/dbraw/zinc/29/46/03/321294603.db2.gz FVSMEKWZGFUTBY-JTDSTZFVSA-N 2 2 343.471 1.837 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cccc3cccnc32)C[C@H](C)O1 ZINC000568501176 321294604 /nfs/dbraw/zinc/29/46/04/321294604.db2.gz FVSMEKWZGFUTBY-JTDSTZFVSA-N 2 2 343.471 1.837 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000568607929 321298958 /nfs/dbraw/zinc/29/89/58/321298958.db2.gz DOOQGNIOUDSKNJ-MRXNPFEDSA-N 2 2 334.464 1.473 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000568607929 321298959 /nfs/dbraw/zinc/29/89/59/321298959.db2.gz DOOQGNIOUDSKNJ-MRXNPFEDSA-N 2 2 334.464 1.473 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(=O)n4ccccc4n3)CC2)c1 ZINC000569419819 321324584 /nfs/dbraw/zinc/32/45/84/321324584.db2.gz HERPZICFKCNNMH-UHFFFAOYSA-N 2 2 335.411 1.720 20 0 EDADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000570708587 321354806 /nfs/dbraw/zinc/35/48/06/321354806.db2.gz BOGZAYCRLVZVGS-OKZBNKHCSA-N 3 2 339.524 1.611 20 0 EDADLP NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285782718 444106510 /nfs/dbraw/zinc/10/65/10/444106510.db2.gz XJGCEODDEYJESQ-OALUTQOASA-N 2 2 344.503 1.832 20 0 EDADLP CC1(C)[C@@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@@H]21 ZINC000278153517 444108272 /nfs/dbraw/zinc/10/82/72/444108272.db2.gz AIMQYKGYEJKSAB-VJANTYMQSA-N 2 2 330.472 1.809 20 0 EDADLP CC1(C)[C@@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@@H]21 ZINC000278153517 444108276 /nfs/dbraw/zinc/10/82/76/444108276.db2.gz AIMQYKGYEJKSAB-VJANTYMQSA-N 2 2 330.472 1.809 20 0 EDADLP CN(C(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1CC1 ZINC000289403453 444131515 /nfs/dbraw/zinc/13/15/15/444131515.db2.gz SGMNLAUJZWULAI-INIZCTEOSA-N 2 2 344.459 1.756 20 0 EDADLP CN(C(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1CC1 ZINC000289403453 444131516 /nfs/dbraw/zinc/13/15/16/444131516.db2.gz SGMNLAUJZWULAI-INIZCTEOSA-N 2 2 344.459 1.756 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](Cc3cccnc3)CC1)C2 ZINC000289462482 444150828 /nfs/dbraw/zinc/15/08/28/444150828.db2.gz WBJGWMQSJWWACW-QGZVFWFLSA-N 2 2 339.443 1.493 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1)C1CC1 ZINC000289468104 444152156 /nfs/dbraw/zinc/15/21/56/444152156.db2.gz WQSJLIPEGMNTSA-RTBURBONSA-N 2 2 341.455 1.634 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1)C1CC1 ZINC000289468104 444152158 /nfs/dbraw/zinc/15/21/58/444152158.db2.gz WQSJLIPEGMNTSA-RTBURBONSA-N 2 2 341.455 1.634 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000573478350 321456055 /nfs/dbraw/zinc/45/60/55/321456055.db2.gz PLKFGKAAUSHVBK-CRAIPNDOSA-N 2 2 336.476 1.601 20 0 EDADLP c1nc(NC[C@]2([NH+]3CCOCC3)CCSC2)cc(NCC2CC2)[nH+]1 ZINC000301267351 444159440 /nfs/dbraw/zinc/15/94/40/444159440.db2.gz FXMYZANNRRQGOU-QGZVFWFLSA-N 2 2 349.504 1.918 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCOCC[NH+](C)C)c2cc1C ZINC000574512201 321486794 /nfs/dbraw/zinc/48/67/94/321486794.db2.gz MKSHKXNNMONJMK-MRXNPFEDSA-N 3 2 334.464 1.182 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[N@H+](CCO)C(C)(C)C3)nc[nH+]2)C1 ZINC000302561704 444216330 /nfs/dbraw/zinc/21/63/30/444216330.db2.gz UQWXFVDFRQVDBV-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[N@@H+](CCO)C(C)(C)C3)nc[nH+]2)C1 ZINC000302561704 444216332 /nfs/dbraw/zinc/21/63/32/444216332.db2.gz UQWXFVDFRQVDBV-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000576337962 321558027 /nfs/dbraw/zinc/55/80/27/321558027.db2.gz PVTVDCUQKMULIS-MRXNPFEDSA-N 2 2 331.460 1.706 20 0 EDADLP C[C@H]1CCC[N@H+](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302099680 444204204 /nfs/dbraw/zinc/20/42/04/444204204.db2.gz KXPHFXYHTHLGHF-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302099680 444204206 /nfs/dbraw/zinc/20/42/06/444204206.db2.gz KXPHFXYHTHLGHF-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[C@@](C)(CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000304882856 444254083 /nfs/dbraw/zinc/25/40/83/444254083.db2.gz IMGXQQSLGMWONW-SFHVURJKSA-N 2 2 340.512 1.395 20 0 EDADLP CC(C)N(C[C@@H](C)O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000305017013 444255064 /nfs/dbraw/zinc/25/50/64/444255064.db2.gz FAZAOYFHIMKUMR-OAHLLOKOSA-N 2 2 340.512 1.346 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296479050 444232875 /nfs/dbraw/zinc/23/28/75/444232875.db2.gz RDVAKCFNKIUVSC-AWEZNQCLSA-N 2 2 325.478 1.386 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296479050 444232876 /nfs/dbraw/zinc/23/28/76/444232876.db2.gz RDVAKCFNKIUVSC-AWEZNQCLSA-N 2 2 325.478 1.386 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)C1 ZINC000304129141 444242912 /nfs/dbraw/zinc/24/29/12/444242912.db2.gz AROCVIQDNUKDOS-MAUKXSAKSA-N 2 2 339.430 1.710 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)C1 ZINC000304129141 444242914 /nfs/dbraw/zinc/24/29/14/444242914.db2.gz AROCVIQDNUKDOS-MAUKXSAKSA-N 2 2 339.430 1.710 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000297598719 444306553 /nfs/dbraw/zinc/30/65/53/444306553.db2.gz JSUDVGOHIXUIPU-UHFFFAOYSA-N 2 2 343.518 1.551 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[N@@H+](C2CC2)C1 ZINC000297687575 444319099 /nfs/dbraw/zinc/31/90/99/444319099.db2.gz WRQXCVLWHYRQPJ-AWEZNQCLSA-N 2 2 331.464 1.773 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1O ZINC000305758772 444278069 /nfs/dbraw/zinc/27/80/69/444278069.db2.gz HCSMFSHHKKVEMX-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1O ZINC000305758772 444278072 /nfs/dbraw/zinc/27/80/72/444278072.db2.gz HCSMFSHHKKVEMX-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)cn1 ZINC000297935319 444362516 /nfs/dbraw/zinc/36/25/16/444362516.db2.gz VBDFBWMHYRSVAV-UHFFFAOYSA-N 2 2 344.463 1.533 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)cn1 ZINC000297935319 444362518 /nfs/dbraw/zinc/36/25/18/444362518.db2.gz VBDFBWMHYRSVAV-UHFFFAOYSA-N 2 2 344.463 1.533 20 0 EDADLP O=C([C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1)N1CCCCC1 ZINC000578433967 321773170 /nfs/dbraw/zinc/77/31/70/321773170.db2.gz RWDMTAICGXYORV-XDNAFOTISA-N 2 2 335.492 1.524 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c(C)n2n1 ZINC000325810969 444369583 /nfs/dbraw/zinc/36/95/83/444369583.db2.gz KEBHZKAGUSYRAY-IMJJTQAJSA-N 2 2 329.448 1.860 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)c(C)n2n1 ZINC000325810969 444369584 /nfs/dbraw/zinc/36/95/84/444369584.db2.gz KEBHZKAGUSYRAY-IMJJTQAJSA-N 2 2 329.448 1.860 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C[N@@H+]1C1CC1 ZINC000290836131 444328524 /nfs/dbraw/zinc/32/85/24/444328524.db2.gz YBJXMNMOADOGCT-DFHBCGBQSA-N 2 2 349.500 1.926 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C[N@H+]1C1CC1 ZINC000290836131 444328525 /nfs/dbraw/zinc/32/85/25/444328525.db2.gz YBJXMNMOADOGCT-DFHBCGBQSA-N 2 2 349.500 1.926 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)no1 ZINC000340515307 444421128 /nfs/dbraw/zinc/42/11/28/444421128.db2.gz UDKCTBPXPAAHHA-QAPCUYQASA-N 2 2 344.459 1.923 20 0 EDADLP Cn1ncc2c1nc[nH+]c2N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000337941379 444466428 /nfs/dbraw/zinc/46/64/28/444466428.db2.gz FOEMYHGHIFYHER-HZPDHXFCSA-N 2 2 334.427 1.932 20 0 EDADLP [NH3+][C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cscn1 ZINC000579585625 321950403 /nfs/dbraw/zinc/95/04/03/321950403.db2.gz OAHSAVRZXWFPKS-INIZCTEOSA-N 2 2 346.456 1.292 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)[C@H]2CCCCN12 ZINC000338006356 444484606 /nfs/dbraw/zinc/48/46/06/444484606.db2.gz AOTSMJDBFUZLHU-ZWKOTPCHSA-N 2 2 328.460 1.789 20 0 EDADLP Cc1cc(NC(=O)C2CC[NH+](Cc3c[nH+]c(N(C)C)n3C)CC2)no1 ZINC000331859748 444489438 /nfs/dbraw/zinc/48/94/38/444489438.db2.gz QIZILMYEQKFPJN-UHFFFAOYSA-N 2 2 346.435 1.633 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000338037053 444494927 /nfs/dbraw/zinc/49/49/27/444494927.db2.gz AXZXOZXLRMJJKM-KRWDZBQOSA-N 2 2 328.416 1.463 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000580211838 322024911 /nfs/dbraw/zinc/02/49/11/322024911.db2.gz MALJLNZPQJMLBU-HZPDHXFCSA-N 2 2 331.464 1.713 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](CCCc3c[nH+]cn3C)[C@H](C)C2)[nH]n1 ZINC000580841303 322103023 /nfs/dbraw/zinc/10/30/23/322103023.db2.gz FSBRLFSNOLYYNQ-CQSZACIVSA-N 2 2 330.436 1.231 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](CCCc3c[nH+]cn3C)[C@H](C)C2)[nH]n1 ZINC000580841303 322103024 /nfs/dbraw/zinc/10/30/24/322103024.db2.gz FSBRLFSNOLYYNQ-CQSZACIVSA-N 2 2 330.436 1.231 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](CCCc3c[nH+]cn3C)[C@H](C)C2)n[nH]1 ZINC000580841303 322103026 /nfs/dbraw/zinc/10/30/26/322103026.db2.gz FSBRLFSNOLYYNQ-CQSZACIVSA-N 2 2 330.436 1.231 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](CCCc3c[nH+]cn3C)[C@H](C)C2)n[nH]1 ZINC000580841303 322103028 /nfs/dbraw/zinc/10/30/28/322103028.db2.gz FSBRLFSNOLYYNQ-CQSZACIVSA-N 2 2 330.436 1.231 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000581185706 322146265 /nfs/dbraw/zinc/14/62/65/322146265.db2.gz DHXMAWWHKKSVFF-QANKJYHBSA-N 2 2 332.444 1.844 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000581185706 322146268 /nfs/dbraw/zinc/14/62/68/322146268.db2.gz DHXMAWWHKKSVFF-QANKJYHBSA-N 2 2 332.444 1.844 20 0 EDADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H](C)O ZINC000340771824 444505545 /nfs/dbraw/zinc/50/55/45/444505545.db2.gz OZWRFKNLDOBSMB-OAHLLOKOSA-N 2 2 339.505 1.484 20 0 EDADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H](C)O ZINC000340771824 444505547 /nfs/dbraw/zinc/50/55/47/444505547.db2.gz OZWRFKNLDOBSMB-OAHLLOKOSA-N 2 2 339.505 1.484 20 0 EDADLP C[C@H](CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)C[NH+]1CCOCC1 ZINC000581926740 322233367 /nfs/dbraw/zinc/23/33/67/322233367.db2.gz FBWSJKRMIUVRLJ-CABCVRRESA-N 2 2 349.479 1.481 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)[C@@H]2C1 ZINC000329231367 444507579 /nfs/dbraw/zinc/50/75/79/444507579.db2.gz FEKNRSCCPJNTLN-ARFHVFGLSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)[C@@H]2C1 ZINC000329231367 444507580 /nfs/dbraw/zinc/50/75/80/444507580.db2.gz FEKNRSCCPJNTLN-ARFHVFGLSA-N 2 2 331.464 1.216 20 0 EDADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H](C)O ZINC000340786234 444510286 /nfs/dbraw/zinc/51/02/86/444510286.db2.gz COTLLJKTQOOWPC-HNNXBMFYSA-N 2 2 339.505 1.484 20 0 EDADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H](C)O ZINC000340786234 444510288 /nfs/dbraw/zinc/51/02/88/444510288.db2.gz COTLLJKTQOOWPC-HNNXBMFYSA-N 2 2 339.505 1.484 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+](C4CCC4)CC3)nc[nH+]2)C1 ZINC000329252773 444513218 /nfs/dbraw/zinc/51/32/18/444513218.db2.gz BZVHXAFULFDYIC-OAHLLOKOSA-N 2 2 331.464 1.360 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000338101135 444516719 /nfs/dbraw/zinc/51/67/19/444516719.db2.gz PTQLBYNGJOMLCG-MRXNPFEDSA-N 2 2 329.404 1.840 20 0 EDADLP COc1cncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000343715134 444540517 /nfs/dbraw/zinc/54/05/17/444540517.db2.gz HZYLTBPTXSTTEX-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1cncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000343715134 444540519 /nfs/dbraw/zinc/54/05/19/444540519.db2.gz HZYLTBPTXSTTEX-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1cncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000343715134 444540523 /nfs/dbraw/zinc/54/05/23/444540523.db2.gz HZYLTBPTXSTTEX-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1cncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000343715134 444540525 /nfs/dbraw/zinc/54/05/25/444540525.db2.gz HZYLTBPTXSTTEX-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342164999 444543356 /nfs/dbraw/zinc/54/33/56/444543356.db2.gz LHSPKELEDBIVKT-SXLOBPIMSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342164999 444543360 /nfs/dbraw/zinc/54/33/60/444543360.db2.gz LHSPKELEDBIVKT-SXLOBPIMSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@@H]1[NH+](CCO)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342164999 444543365 /nfs/dbraw/zinc/54/33/65/444543365.db2.gz LHSPKELEDBIVKT-SXLOBPIMSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@@H]1[NH+](CCO)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342164999 444543367 /nfs/dbraw/zinc/54/33/67/444543367.db2.gz LHSPKELEDBIVKT-SXLOBPIMSA-N 2 2 348.487 1.749 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000332783080 444551858 /nfs/dbraw/zinc/55/18/58/444551858.db2.gz YFMZSYYMDLALRZ-PMPSAXMXSA-N 2 2 331.464 1.784 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000332783080 444551861 /nfs/dbraw/zinc/55/18/61/444551861.db2.gz YFMZSYYMDLALRZ-PMPSAXMXSA-N 2 2 331.464 1.784 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@@H](c2ccccc2)C1 ZINC000333010565 444628389 /nfs/dbraw/zinc/62/83/89/444628389.db2.gz VGAXTYUQOLBNLY-DLBZAZTESA-N 2 2 339.443 1.896 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@@H](c2ccccc2)C1 ZINC000333010565 444628392 /nfs/dbraw/zinc/62/83/92/444628392.db2.gz VGAXTYUQOLBNLY-DLBZAZTESA-N 2 2 339.443 1.896 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC000338252139 444589905 /nfs/dbraw/zinc/58/99/05/444589905.db2.gz GKURDKLFZASGNO-ZWKOTPCHSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@@H](C)C2)CC1 ZINC000338252139 444589907 /nfs/dbraw/zinc/58/99/07/444589907.db2.gz GKURDKLFZASGNO-ZWKOTPCHSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCCCO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000338283713 444610588 /nfs/dbraw/zinc/61/05/88/444610588.db2.gz SVWNEBITDHQSEM-QYZOEREBSA-N 2 2 339.524 1.878 20 0 EDADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCCCO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000338283713 444610592 /nfs/dbraw/zinc/61/05/92/444610592.db2.gz SVWNEBITDHQSEM-QYZOEREBSA-N 2 2 339.524 1.878 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000332999896 444626076 /nfs/dbraw/zinc/62/60/76/444626076.db2.gz HJRAWEKDYYSYSC-OFQRWUPVSA-N 2 2 335.452 1.424 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000332999896 444626078 /nfs/dbraw/zinc/62/60/78/444626078.db2.gz HJRAWEKDYYSYSC-OFQRWUPVSA-N 2 2 335.452 1.424 20 0 EDADLP Cc1c[nH+]c(CNc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)n1C ZINC000341160219 444702814 /nfs/dbraw/zinc/70/28/14/444702814.db2.gz ZJWQBFOXXIGFEI-UHFFFAOYSA-N 2 2 341.459 1.657 20 0 EDADLP Cc1cc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc(C)[nH+]1 ZINC000333898520 444712425 /nfs/dbraw/zinc/71/24/25/444712425.db2.gz YSIZTCFFVQYZLF-NVXWUHKLSA-N 2 2 332.448 1.703 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000341178917 444713140 /nfs/dbraw/zinc/71/31/40/444713140.db2.gz CEVRZAQRMZYLFR-AWEZNQCLSA-N 2 2 341.496 1.497 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)N1CC[NH+](C)CC1 ZINC000342553448 444742468 /nfs/dbraw/zinc/74/24/68/444742468.db2.gz TUKCFRLZTRIPFX-INIZCTEOSA-N 2 2 346.475 1.093 20 0 EDADLP C[C@H](C[C@H](C)O)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000341252462 444749515 /nfs/dbraw/zinc/74/95/15/444749515.db2.gz ZYPNCKUPFSUSIY-KGLIPLIRSA-N 2 2 326.485 1.004 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329931565 444775462 /nfs/dbraw/zinc/77/54/62/444775462.db2.gz IIVQSEVQCQMAJP-XHSDSOJGSA-N 2 2 332.448 1.759 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329931565 444775466 /nfs/dbraw/zinc/77/54/66/444775466.db2.gz IIVQSEVQCQMAJP-XHSDSOJGSA-N 2 2 332.448 1.759 20 0 EDADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CCC1 ZINC000342613549 444777229 /nfs/dbraw/zinc/77/72/29/444777229.db2.gz CLGBIUQBECWJGX-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CCC1 ZINC000342613549 444777233 /nfs/dbraw/zinc/77/72/33/444777233.db2.gz CLGBIUQBECWJGX-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000336875617 444822029 /nfs/dbraw/zinc/82/20/29/444822029.db2.gz JNCVEWFSXYVSJG-QGZVFWFLSA-N 3 2 325.497 1.018 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000336875617 444822032 /nfs/dbraw/zinc/82/20/32/444822032.db2.gz JNCVEWFSXYVSJG-QGZVFWFLSA-N 3 2 325.497 1.018 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1ccoc1 ZINC000342633110 444788815 /nfs/dbraw/zinc/78/88/15/444788815.db2.gz IMYGYRYUOXGZET-HNNXBMFYSA-N 2 2 328.416 1.844 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccoc1 ZINC000342633110 444788818 /nfs/dbraw/zinc/78/88/18/444788818.db2.gz IMYGYRYUOXGZET-HNNXBMFYSA-N 2 2 328.416 1.844 20 0 EDADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)N1CCOCC1 ZINC000341439905 444833152 /nfs/dbraw/zinc/83/31/52/444833152.db2.gz JBPLXKRVPVJPHY-HXUWFJFHSA-N 2 2 346.519 1.992 20 0 EDADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341506096 444867318 /nfs/dbraw/zinc/86/73/18/444867318.db2.gz HSXSRWSHQQDCJJ-CVEARBPZSA-N 2 2 340.512 1.166 20 0 EDADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341506096 444867322 /nfs/dbraw/zinc/86/73/22/444867322.db2.gz HSXSRWSHQQDCJJ-CVEARBPZSA-N 2 2 340.512 1.166 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC(=O)N1C ZINC000330177597 444874643 /nfs/dbraw/zinc/87/46/43/444874643.db2.gz DBJXYTMKSYHGDM-DWLQVLJDSA-N 2 2 345.491 1.381 20 0 EDADLP C[NH+](C)CC1(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CCCC1 ZINC000341575519 444903371 /nfs/dbraw/zinc/90/33/71/444903371.db2.gz YFGYKTURCXQXNK-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+](C)CC1(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CCCC1 ZINC000341575519 444903375 /nfs/dbraw/zinc/90/33/75/444903375.db2.gz YFGYKTURCXQXNK-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000344392371 444937619 /nfs/dbraw/zinc/93/76/19/444937619.db2.gz VXWRKWIFHCQLKL-MRXNPFEDSA-N 2 2 339.528 1.138 20 0 EDADLP c1c(NCC[NH+]2CCCC2)nc(NCC[NH+]2CCCC2)[nH+]c1C1CC1 ZINC000341828497 445022484 /nfs/dbraw/zinc/02/24/84/445022484.db2.gz XMQFQJPPUQFECJ-UHFFFAOYSA-N 3 2 344.507 1.213 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000344512170 445025077 /nfs/dbraw/zinc/02/50/77/445025077.db2.gz FEZJDTBBQDDYKW-MRXNPFEDSA-N 2 2 345.447 1.226 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769679 444993544 /nfs/dbraw/zinc/99/35/44/444993544.db2.gz MRRQEEOYRRJFSU-QFBILLFUSA-N 2 2 344.503 1.960 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769679 444993549 /nfs/dbraw/zinc/99/35/49/444993549.db2.gz MRRQEEOYRRJFSU-QFBILLFUSA-N 2 2 344.503 1.960 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H]4C(=O)NC[C@@H]43)c2cc1C ZINC000337247086 445002331 /nfs/dbraw/zinc/00/23/31/445002331.db2.gz JWLQFJVIPHVHRV-VKJFTORMSA-N 2 2 342.443 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H]4C(=O)NC[C@@H]43)c2cc1C ZINC000337247086 445002333 /nfs/dbraw/zinc/00/23/33/445002333.db2.gz JWLQFJVIPHVHRV-VKJFTORMSA-N 2 2 342.443 1.224 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000339154143 445060962 /nfs/dbraw/zinc/06/09/62/445060962.db2.gz VHTZUZONHUBZTM-UHFFFAOYSA-N 2 2 327.432 1.858 20 0 EDADLP CCOC(=O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000341904944 445063603 /nfs/dbraw/zinc/06/36/03/445063603.db2.gz KLGLCBWUNJJYEJ-HUUCEWRRSA-N 2 2 328.453 1.140 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]([NH+](CC)CC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339281888 445130948 /nfs/dbraw/zinc/13/09/48/445130948.db2.gz KFCPGMRMTNDIAV-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]([NH+](CC)CC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000339281888 445130950 /nfs/dbraw/zinc/13/09/50/445130950.db2.gz KFCPGMRMTNDIAV-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP Cn1nccc1[C@H]1OCC[C@@H]1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000343363456 445210432 /nfs/dbraw/zinc/21/04/32/445210432.db2.gz GMBNDQGKUAXYDA-KDOFPFPSSA-N 2 2 325.416 1.978 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)C1 ZINC000343400141 445216092 /nfs/dbraw/zinc/21/60/92/445216092.db2.gz RHZJOROOWWPBRJ-BQFCYCMXSA-N 2 2 335.496 1.113 20 0 EDADLP COCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)C1 ZINC000343400141 445216093 /nfs/dbraw/zinc/21/60/93/445216093.db2.gz RHZJOROOWWPBRJ-BQFCYCMXSA-N 2 2 335.496 1.113 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)C1 ZINC000343400141 445216094 /nfs/dbraw/zinc/21/60/94/445216094.db2.gz RHZJOROOWWPBRJ-BQFCYCMXSA-N 2 2 335.496 1.113 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)C1 ZINC000343400141 445216095 /nfs/dbraw/zinc/21/60/95/445216095.db2.gz RHZJOROOWWPBRJ-BQFCYCMXSA-N 2 2 335.496 1.113 20 0 EDADLP O=C(NCC[NH+]1CCC1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000337671463 445195344 /nfs/dbraw/zinc/19/53/44/445195344.db2.gz XOUQEFCIJRDTBO-UHFFFAOYSA-N 2 2 327.432 1.631 20 0 EDADLP CC[N@H+](CCO)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000343456551 445226522 /nfs/dbraw/zinc/22/65/22/445226522.db2.gz XRYQCXSNSQGVGQ-UHFFFAOYSA-N 2 2 340.493 1.628 20 0 EDADLP CC[N@@H+](CCO)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000343456551 445226524 /nfs/dbraw/zinc/22/65/24/445226524.db2.gz XRYQCXSNSQGVGQ-UHFFFAOYSA-N 2 2 340.493 1.628 20 0 EDADLP CN(C)[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1c[nH+]cn1C ZINC000343485462 445231921 /nfs/dbraw/zinc/23/19/21/445231921.db2.gz YCBQBRHKZHJELF-NVXWUHKLSA-N 2 2 333.480 1.357 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000343514345 445237107 /nfs/dbraw/zinc/23/71/07/445237107.db2.gz JMMPHHKMXUZZCA-DZGCQCFKSA-N 2 2 338.402 1.532 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2cccnc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000351633026 445250854 /nfs/dbraw/zinc/25/08/54/445250854.db2.gz TWZJFNLGEUHDEK-INIZCTEOSA-N 2 2 344.503 1.986 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2cccnc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000351633026 445250857 /nfs/dbraw/zinc/25/08/57/445250857.db2.gz TWZJFNLGEUHDEK-INIZCTEOSA-N 2 2 344.503 1.986 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC[C@H]1CCCO1 ZINC000348317203 445254475 /nfs/dbraw/zinc/25/44/75/445254475.db2.gz AGSAKVOBFXZSOB-GBESFXJTSA-N 2 2 343.471 1.345 20 0 EDADLP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348173481 445303807 /nfs/dbraw/zinc/30/38/07/445303807.db2.gz MTPKTHSYZWSRAS-CHWSQXEVSA-N 2 2 341.477 1.747 20 0 EDADLP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348173481 445303810 /nfs/dbraw/zinc/30/38/10/445303810.db2.gz MTPKTHSYZWSRAS-CHWSQXEVSA-N 2 2 341.477 1.747 20 0 EDADLP Cn1cc(CC[N@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)cn1 ZINC000348216620 445319642 /nfs/dbraw/zinc/31/96/42/445319642.db2.gz DGHVKSDGVQJEAK-AEFFLSMTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[N@@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)cn1 ZINC000348216620 445319643 /nfs/dbraw/zinc/31/96/43/445319643.db2.gz DGHVKSDGVQJEAK-AEFFLSMTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cn1 ZINC000348216620 445319646 /nfs/dbraw/zinc/31/96/46/445319646.db2.gz DGHVKSDGVQJEAK-AEFFLSMTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cn1 ZINC000348216620 445319650 /nfs/dbraw/zinc/31/96/50/445319650.db2.gz DGHVKSDGVQJEAK-AEFFLSMTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1nccc1C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000348379424 445271551 /nfs/dbraw/zinc/27/15/51/445271551.db2.gz UUUCKLFTMHBLBK-KRWDZBQOSA-N 2 2 329.448 1.271 20 0 EDADLP Cn1nccc1C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000348379424 445271557 /nfs/dbraw/zinc/27/15/57/445271557.db2.gz UUUCKLFTMHBLBK-KRWDZBQOSA-N 2 2 329.448 1.271 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@H+](C)Cc1ccnc(N)c1 ZINC000348126186 445282484 /nfs/dbraw/zinc/28/24/84/445282484.db2.gz XIYNLNBSDMXXHR-HUUCEWRRSA-N 2 2 332.427 1.442 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)Cc1ccnc(N)c1 ZINC000348126186 445282488 /nfs/dbraw/zinc/28/24/88/445282488.db2.gz XIYNLNBSDMXXHR-HUUCEWRRSA-N 2 2 332.427 1.442 20 0 EDADLP CCOC(=O)[C@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)Cc2ccccc21 ZINC000351712357 445287067 /nfs/dbraw/zinc/28/70/67/445287067.db2.gz ONFZZYZALPHYIS-AEFFLSMTSA-N 2 2 332.444 1.604 20 0 EDADLP CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)Cc2ccccc21 ZINC000351712357 445287070 /nfs/dbraw/zinc/28/70/70/445287070.db2.gz ONFZZYZALPHYIS-AEFFLSMTSA-N 2 2 332.444 1.604 20 0 EDADLP CCOC(=O)[C@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)Cc2ccccc21 ZINC000351712357 445287073 /nfs/dbraw/zinc/28/70/73/445287073.db2.gz ONFZZYZALPHYIS-AEFFLSMTSA-N 2 2 332.444 1.604 20 0 EDADLP CCOC(=O)[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)Cc2ccccc21 ZINC000351712357 445287076 /nfs/dbraw/zinc/28/70/76/445287076.db2.gz ONFZZYZALPHYIS-AEFFLSMTSA-N 2 2 332.444 1.604 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1[NH+]1CCOCC1 ZINC000354577514 445300926 /nfs/dbraw/zinc/30/09/26/445300926.db2.gz NCTWFYHBTXPLEI-PMPSAXMXSA-N 2 2 332.448 1.330 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2nc(C3CC3)no2)C[C@H]1n1cc[nH+]c1 ZINC000348255209 445329404 /nfs/dbraw/zinc/32/94/04/445329404.db2.gz HZUZYVXMZZIDBR-DGCLKSJQSA-N 2 2 330.392 1.087 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2nc(C3CC3)no2)C[C@H]1n1cc[nH+]c1 ZINC000348255209 445329406 /nfs/dbraw/zinc/32/94/06/445329406.db2.gz HZUZYVXMZZIDBR-DGCLKSJQSA-N 2 2 330.392 1.087 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000348292006 445340930 /nfs/dbraw/zinc/34/09/30/445340930.db2.gz WGGILHIRDQQBCW-HZPDHXFCSA-N 2 2 325.478 1.630 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351862847 445346467 /nfs/dbraw/zinc/34/64/67/445346467.db2.gz RCPJFYBCGJDIPN-RRFJBIMHSA-N 2 2 344.459 1.810 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351862847 445346468 /nfs/dbraw/zinc/34/64/68/445346468.db2.gz RCPJFYBCGJDIPN-RRFJBIMHSA-N 2 2 344.459 1.810 20 0 EDADLP Cc1cc(NC[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)nc[nH+]1 ZINC000359664858 445363851 /nfs/dbraw/zinc/36/38/51/445363851.db2.gz ZKHIGQVTADDAJB-CHWSQXEVSA-N 2 2 331.399 1.670 20 0 EDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000352003512 445431073 /nfs/dbraw/zinc/43/10/73/445431073.db2.gz LZHZSXBFMZPRFF-GJZGRUSLSA-N 2 2 333.480 1.183 20 0 EDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000352003512 445431077 /nfs/dbraw/zinc/43/10/77/445431077.db2.gz LZHZSXBFMZPRFF-GJZGRUSLSA-N 2 2 333.480 1.183 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000362480836 445405426 /nfs/dbraw/zinc/40/54/26/445405426.db2.gz APMVDCJLJQKDFI-HUUCEWRRSA-N 2 2 325.478 1.707 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348847874 445413631 /nfs/dbraw/zinc/41/36/31/445413631.db2.gz HFGQHSTVOOOXSJ-IBGZPJMESA-N 2 2 340.427 1.570 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348847874 445413635 /nfs/dbraw/zinc/41/36/35/445413635.db2.gz HFGQHSTVOOOXSJ-IBGZPJMESA-N 2 2 340.427 1.570 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357101897 445429148 /nfs/dbraw/zinc/42/91/48/445429148.db2.gz FLQYQNHPKFVDCT-HUUCEWRRSA-N 2 2 340.427 1.889 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357101897 445429155 /nfs/dbraw/zinc/42/91/55/445429155.db2.gz FLQYQNHPKFVDCT-HUUCEWRRSA-N 2 2 340.427 1.889 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNc1nc(N)c2cc(OC)c(OC)cc2[nH+]1 ZINC000359881715 445473711 /nfs/dbraw/zinc/47/37/11/445473711.db2.gz UYUHYZWULVQOQD-NSHDSACASA-N 2 2 333.436 1.793 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000357190124 445473890 /nfs/dbraw/zinc/47/38/90/445473890.db2.gz PBONIJBHIAZDPB-IAGOWNOFSA-N 2 2 341.496 1.104 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000357190124 445473891 /nfs/dbraw/zinc/47/38/91/445473891.db2.gz PBONIJBHIAZDPB-IAGOWNOFSA-N 2 2 341.496 1.104 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000357190124 445473893 /nfs/dbraw/zinc/47/38/93/445473893.db2.gz PBONIJBHIAZDPB-IAGOWNOFSA-N 2 2 341.496 1.104 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000357190124 445473896 /nfs/dbraw/zinc/47/38/96/445473896.db2.gz PBONIJBHIAZDPB-IAGOWNOFSA-N 2 2 341.496 1.104 20 0 EDADLP CN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H](C[NH3+])C1CC1 ZINC000359883760 445474337 /nfs/dbraw/zinc/47/43/37/445474337.db2.gz UXCWWOQVUMDNOL-MRXNPFEDSA-N 2 2 336.505 1.061 20 0 EDADLP COC[C@@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC[NH2+]1 ZINC000357269921 445517362 /nfs/dbraw/zinc/51/73/62/445517362.db2.gz JQRMBIBXLSITJZ-SFHVURJKSA-N 2 2 328.416 1.430 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000362720668 445518257 /nfs/dbraw/zinc/51/82/57/445518257.db2.gz YULCLDHWTYYUQF-YJBOKZPZSA-N 2 2 348.466 1.312 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000362720668 445518260 /nfs/dbraw/zinc/51/82/60/445518260.db2.gz YULCLDHWTYYUQF-YJBOKZPZSA-N 2 2 348.466 1.312 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000362734408 445523321 /nfs/dbraw/zinc/52/33/21/445523321.db2.gz GGDDMPZZUZTCHX-OLZOCXBDSA-N 2 2 335.452 1.214 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000362734408 445523323 /nfs/dbraw/zinc/52/33/23/445523323.db2.gz GGDDMPZZUZTCHX-OLZOCXBDSA-N 2 2 335.452 1.214 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352520485 445535072 /nfs/dbraw/zinc/53/50/72/445535072.db2.gz YTSJMFQFHHVFIS-ICUGJSFKSA-N 2 2 336.524 1.295 20 0 EDADLP COCCOc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362666083 445487263 /nfs/dbraw/zinc/48/72/63/445487263.db2.gz FFUJXQKYEXPIKT-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP COCCOc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362666083 445487267 /nfs/dbraw/zinc/48/72/67/445487267.db2.gz FFUJXQKYEXPIKT-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP CCCOc1cccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362696269 445504501 /nfs/dbraw/zinc/50/45/01/445504501.db2.gz XEXYSTXVJYGOBJ-KRWDZBQOSA-N 2 2 331.460 1.872 20 0 EDADLP CCCOc1cccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362696269 445504504 /nfs/dbraw/zinc/50/45/04/445504504.db2.gz XEXYSTXVJYGOBJ-KRWDZBQOSA-N 2 2 331.460 1.872 20 0 EDADLP CCC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000359961402 445505326 /nfs/dbraw/zinc/50/53/26/445505326.db2.gz SCRVDYNOSWSJSB-RTBURBONSA-N 2 2 332.492 1.919 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000360122042 445578929 /nfs/dbraw/zinc/57/89/29/445578929.db2.gz FVIPRUFVJHRWIF-ZDUSSCGKSA-N 2 2 332.404 1.116 20 0 EDADLP C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000356043068 445586453 /nfs/dbraw/zinc/58/64/53/445586453.db2.gz ISVOXBPUNPSQKD-YJBOKZPZSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000356043068 445586457 /nfs/dbraw/zinc/58/64/57/445586457.db2.gz ISVOXBPUNPSQKD-YJBOKZPZSA-N 2 2 342.443 1.459 20 0 EDADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000353464509 445613751 /nfs/dbraw/zinc/61/37/51/445613751.db2.gz YESSRZVIRJIEHQ-DOTOQJQBSA-N 2 2 333.480 1.069 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358277706 445615569 /nfs/dbraw/zinc/61/55/69/445615569.db2.gz PZLBUBPBGAMXLE-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000356097315 445619690 /nfs/dbraw/zinc/61/96/90/445619690.db2.gz UIZZEWYPTCDENZ-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP Cc1ccn2cc(CNC(=O)NCC3CC[NH+](CCO)CC3)[nH+]c2c1 ZINC000349669192 445642489 /nfs/dbraw/zinc/64/24/89/445642489.db2.gz QBTKTMVYYSIFHR-UHFFFAOYSA-N 2 2 345.447 1.146 20 0 EDADLP COC[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000360152689 445597544 /nfs/dbraw/zinc/59/75/44/445597544.db2.gz WQKPCVSBLSRWKK-HUUCEWRRSA-N 2 2 325.497 1.580 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)[NH+](C)C)cc1 ZINC000356181388 445665386 /nfs/dbraw/zinc/66/53/86/445665386.db2.gz QHMKMIYEOMFFNG-FUHWJXTLSA-N 2 2 348.491 1.618 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)[NH+](C)C)cc1 ZINC000356181388 445665390 /nfs/dbraw/zinc/66/53/90/445665390.db2.gz QHMKMIYEOMFFNG-FUHWJXTLSA-N 2 2 348.491 1.618 20 0 EDADLP CO[C@@](C)(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000360311151 445689704 /nfs/dbraw/zinc/68/97/04/445689704.db2.gz ODWNQWPFJVGHSR-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCCO1 ZINC000356201092 445672312 /nfs/dbraw/zinc/67/23/12/445672312.db2.gz GSWGLEAFRNHPIU-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCCO1 ZINC000356201092 445672313 /nfs/dbraw/zinc/67/23/13/445672313.db2.gz GSWGLEAFRNHPIU-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000353760366 445741965 /nfs/dbraw/zinc/74/19/65/445741965.db2.gz PTSXNALCGNPDHK-HNNXBMFYSA-N 2 2 344.459 1.962 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000361103656 445749028 /nfs/dbraw/zinc/74/90/28/445749028.db2.gz OKVXRDSLRJREHY-MRXNPFEDSA-N 2 2 349.442 1.955 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000361103656 445749030 /nfs/dbraw/zinc/74/90/30/445749030.db2.gz OKVXRDSLRJREHY-MRXNPFEDSA-N 2 2 349.442 1.955 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCSC3)CC2)CC1 ZINC000353775685 445749899 /nfs/dbraw/zinc/74/98/99/445749899.db2.gz FWOBSKFAZBUSHJ-CQSZACIVSA-N 2 2 325.522 1.804 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H](C)[NH+]1C ZINC000358758221 445760600 /nfs/dbraw/zinc/76/06/00/445760600.db2.gz PFHYDYKLNAIVIP-IRXDYDNUSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H](C)[NH+]1C ZINC000358758221 445760604 /nfs/dbraw/zinc/76/06/04/445760604.db2.gz PFHYDYKLNAIVIP-IRXDYDNUSA-N 2 2 344.503 1.599 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000363495101 445831200 /nfs/dbraw/zinc/83/12/00/445831200.db2.gz HJFAAJLHAOYHFD-INIZCTEOSA-N 2 2 334.464 1.939 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000363495101 445831203 /nfs/dbraw/zinc/83/12/03/445831203.db2.gz HJFAAJLHAOYHFD-INIZCTEOSA-N 2 2 334.464 1.939 20 0 EDADLP NC(=O)[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000361582129 445831702 /nfs/dbraw/zinc/83/17/02/445831702.db2.gz IWNHXDMYWZLWIL-OCCSQVGLSA-N 2 2 349.232 1.777 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C2(c3nc(C)cs3)CCC2)CC1 ZINC000358835468 445800522 /nfs/dbraw/zinc/80/05/22/445800522.db2.gz XUIYMYXTBVMXHJ-AWEZNQCLSA-N 2 2 336.505 1.973 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000350505344 445840410 /nfs/dbraw/zinc/84/04/10/445840410.db2.gz DKYZPBCZAXRPDB-HOTGVXAUSA-N 2 2 349.479 1.545 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000350505344 445840413 /nfs/dbraw/zinc/84/04/13/445840413.db2.gz DKYZPBCZAXRPDB-HOTGVXAUSA-N 2 2 349.479 1.545 20 0 EDADLP C[C@@H](NC(=O)N1CCC(C[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000356530085 445844128 /nfs/dbraw/zinc/84/41/28/445844128.db2.gz BFVODFUCZOUPBZ-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000356568701 445862925 /nfs/dbraw/zinc/86/29/25/445862925.db2.gz JVMJEIFNHQGMKX-WMLDXEAASA-N 2 2 332.448 1.256 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000356568701 445862930 /nfs/dbraw/zinc/86/29/30/445862930.db2.gz JVMJEIFNHQGMKX-WMLDXEAASA-N 2 2 332.448 1.256 20 0 EDADLP CC(C)OCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363663799 445866325 /nfs/dbraw/zinc/86/63/25/445866325.db2.gz GKCVCXALTVTOKA-INIZCTEOSA-N 2 2 340.512 1.659 20 0 EDADLP CC(C)OCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363663799 445866330 /nfs/dbraw/zinc/86/63/30/445866330.db2.gz GKCVCXALTVTOKA-INIZCTEOSA-N 2 2 340.512 1.659 20 0 EDADLP CO[C@@H]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364548982 445931701 /nfs/dbraw/zinc/93/17/01/445931701.db2.gz PTCAHGFPRHSSKQ-HYVNUMGLSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000364548982 445931702 /nfs/dbraw/zinc/93/17/02/445931702.db2.gz PTCAHGFPRHSSKQ-HYVNUMGLSA-N 2 2 338.496 1.364 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000369129900 445943879 /nfs/dbraw/zinc/94/38/79/445943879.db2.gz IXFRKZDFLINBTG-KURKYZTESA-N 2 2 335.492 1.715 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000369129900 445943883 /nfs/dbraw/zinc/94/38/83/445943883.db2.gz IXFRKZDFLINBTG-KURKYZTESA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000369129900 445943885 /nfs/dbraw/zinc/94/38/85/445943885.db2.gz IXFRKZDFLINBTG-KURKYZTESA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000369129900 445943888 /nfs/dbraw/zinc/94/38/88/445943888.db2.gz IXFRKZDFLINBTG-KURKYZTESA-N 2 2 335.492 1.715 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC000361763383 445924206 /nfs/dbraw/zinc/92/42/06/445924206.db2.gz HYMKNKQRFYJUKH-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC000361763383 445924221 /nfs/dbraw/zinc/92/42/21/445924221.db2.gz HYMKNKQRFYJUKH-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000361763383 445924225 /nfs/dbraw/zinc/92/42/25/445924225.db2.gz HYMKNKQRFYJUKH-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000361763383 445924234 /nfs/dbraw/zinc/92/42/34/445924234.db2.gz HYMKNKQRFYJUKH-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000364866717 445964576 /nfs/dbraw/zinc/96/45/76/445964576.db2.gz AFHIUSROURXXRF-UHFFFAOYSA-N 3 2 328.464 2.014 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NCCN2CCC([NH+](C)C)CC2)n1 ZINC000364866717 445964582 /nfs/dbraw/zinc/96/45/82/445964582.db2.gz AFHIUSROURXXRF-UHFFFAOYSA-N 2 2 328.464 2.014 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000356724842 445968888 /nfs/dbraw/zinc/96/88/88/445968888.db2.gz HQZIENHGDNMQJR-HOTGVXAUSA-N 2 2 333.480 1.676 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000356724842 445968893 /nfs/dbraw/zinc/96/88/93/445968893.db2.gz HQZIENHGDNMQJR-HOTGVXAUSA-N 2 2 333.480 1.676 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000369201070 445989113 /nfs/dbraw/zinc/98/91/13/445989113.db2.gz SBUGKYOAUIKLCU-HNNXBMFYSA-N 2 2 326.404 1.257 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000369201070 445989118 /nfs/dbraw/zinc/98/91/18/445989118.db2.gz SBUGKYOAUIKLCU-HNNXBMFYSA-N 2 2 326.404 1.257 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000361836014 445991372 /nfs/dbraw/zinc/99/13/72/445991372.db2.gz CRBHTBQRMARPKX-HNNXBMFYSA-N 2 2 348.472 1.681 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000361836014 445991378 /nfs/dbraw/zinc/99/13/78/445991378.db2.gz CRBHTBQRMARPKX-HNNXBMFYSA-N 2 2 348.472 1.681 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366076422 445996710 /nfs/dbraw/zinc/99/67/10/445996710.db2.gz GJBQHRPOXBOQGO-GDBMZVCRSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366076422 445996714 /nfs/dbraw/zinc/99/67/14/445996714.db2.gz GJBQHRPOXBOQGO-GDBMZVCRSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000365117730 446035872 /nfs/dbraw/zinc/03/58/72/446035872.db2.gz DZBOYJAYHFHBOT-LSDHHAIUSA-N 2 2 335.452 1.123 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359208227 446037177 /nfs/dbraw/zinc/03/71/77/446037177.db2.gz IATNHNAFIANFKM-MSOLQXFVSA-N 2 2 331.460 1.488 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359208227 446037180 /nfs/dbraw/zinc/03/71/80/446037180.db2.gz IATNHNAFIANFKM-MSOLQXFVSA-N 2 2 331.460 1.488 20 0 EDADLP CC(C)CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274004 446037346 /nfs/dbraw/zinc/03/73/46/446037346.db2.gz LQHZCNXDZFWIDE-CVEARBPZSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274004 446037352 /nfs/dbraw/zinc/03/73/52/446037352.db2.gz LQHZCNXDZFWIDE-CVEARBPZSA-N 2 2 325.497 1.722 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000351348316 446037926 /nfs/dbraw/zinc/03/79/26/446037926.db2.gz FFLNOABQIBSVOE-UHFFFAOYSA-N 2 2 333.480 1.745 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCC(C)CC1 ZINC000366088232 446006125 /nfs/dbraw/zinc/00/61/25/446006125.db2.gz KTQPOCCWUWNEDL-WBVHZDCISA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCC(C)CC1 ZINC000366088232 446006132 /nfs/dbraw/zinc/00/61/32/446006132.db2.gz KTQPOCCWUWNEDL-WBVHZDCISA-N 2 2 338.496 1.269 20 0 EDADLP CCN(CC)C(=O)CN1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC000583330262 326052434 /nfs/dbraw/zinc/05/24/34/326052434.db2.gz SDGHWLKAZUMIBO-UHFFFAOYSA-N 2 2 335.496 1.229 20 0 EDADLP CCN(CC)C(=O)CN1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC000583330262 326052437 /nfs/dbraw/zinc/05/24/37/326052437.db2.gz SDGHWLKAZUMIBO-UHFFFAOYSA-N 2 2 335.496 1.229 20 0 EDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(CCCc2c[nH+]cn2C)CC1 ZINC000583330262 326052440 /nfs/dbraw/zinc/05/24/40/326052440.db2.gz SDGHWLKAZUMIBO-UHFFFAOYSA-N 2 2 335.496 1.229 20 0 EDADLP CCN(CC)C(=O)C[N@H+]1CCCN(CCCc2c[nH+]cn2C)CC1 ZINC000583330262 326052443 /nfs/dbraw/zinc/05/24/43/326052443.db2.gz SDGHWLKAZUMIBO-UHFFFAOYSA-N 2 2 335.496 1.229 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000583561334 326096224 /nfs/dbraw/zinc/09/62/24/326096224.db2.gz SUGCIFSJXQCPCW-INIZCTEOSA-N 2 2 345.443 1.244 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366165460 446055433 /nfs/dbraw/zinc/05/54/33/446055433.db2.gz XYEQTBRQVRTSLO-INIZCTEOSA-N 2 2 335.452 1.134 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366165460 446055441 /nfs/dbraw/zinc/05/54/41/446055441.db2.gz XYEQTBRQVRTSLO-INIZCTEOSA-N 2 2 335.452 1.134 20 0 EDADLP Cc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000583912919 326163662 /nfs/dbraw/zinc/16/36/62/326163662.db2.gz JCGLHQAHELEJSU-HNNXBMFYSA-N 2 2 331.464 1.699 20 0 EDADLP C[NH+](C)Cc1ccccc1CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000373153791 446061444 /nfs/dbraw/zinc/06/14/44/446061444.db2.gz QPNFRTSRLGTJDP-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCCCCn3cc[nH+]c3)[nH+]cn2)C1 ZINC000584039875 326187185 /nfs/dbraw/zinc/18/71/85/326187185.db2.gz PEPBVOOYJSCUQZ-GJZGRUSLSA-N 2 2 330.436 1.773 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000584091686 326196825 /nfs/dbraw/zinc/19/68/25/326196825.db2.gz IFPKLGSEICJGCJ-XYPHTWIQSA-N 2 2 344.402 1.324 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000584091686 326196827 /nfs/dbraw/zinc/19/68/27/326196827.db2.gz IFPKLGSEICJGCJ-XYPHTWIQSA-N 2 2 344.402 1.324 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000584142889 326206806 /nfs/dbraw/zinc/20/68/06/326206806.db2.gz YDQCUVJVJZSHTQ-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000584142889 326206807 /nfs/dbraw/zinc/20/68/07/326206807.db2.gz YDQCUVJVJZSHTQ-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000584142889 326206808 /nfs/dbraw/zinc/20/68/08/326206808.db2.gz YDQCUVJVJZSHTQ-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000584142889 326206809 /nfs/dbraw/zinc/20/68/09/326206809.db2.gz YDQCUVJVJZSHTQ-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000584285844 326235137 /nfs/dbraw/zinc/23/51/37/326235137.db2.gz YBWBWUQZVPITRT-VYDXJSESSA-N 3 2 333.480 1.401 20 0 EDADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369317796 446068763 /nfs/dbraw/zinc/06/87/63/446068763.db2.gz ZOQFWKYHJAOJJN-HOCLYGCPSA-N 2 2 340.431 1.645 20 0 EDADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369317796 446068771 /nfs/dbraw/zinc/06/87/71/446068771.db2.gz ZOQFWKYHJAOJJN-HOCLYGCPSA-N 2 2 340.431 1.645 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366212995 446085877 /nfs/dbraw/zinc/08/58/77/446085877.db2.gz XRPZPFCCFPGRIT-MSOLQXFVSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)C[N@@H+]1C1CC1 ZINC000369641480 446137711 /nfs/dbraw/zinc/13/77/11/446137711.db2.gz SVNWLVSWMCVCBC-ILXRZTDVSA-N 2 2 331.464 1.712 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)C[N@H+]1C1CC1 ZINC000369641480 446137715 /nfs/dbraw/zinc/13/77/15/446137715.db2.gz SVNWLVSWMCVCBC-ILXRZTDVSA-N 2 2 331.464 1.712 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351490727 446093228 /nfs/dbraw/zinc/09/32/28/446093228.db2.gz IWTVOFXHOLSNSA-NUEKZKHPSA-N 2 2 330.432 1.044 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351490727 446093234 /nfs/dbraw/zinc/09/32/34/446093234.db2.gz IWTVOFXHOLSNSA-NUEKZKHPSA-N 2 2 330.432 1.044 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000359265099 446101477 /nfs/dbraw/zinc/10/14/77/446101477.db2.gz QGGRARPUYWFHIO-CQSZACIVSA-N 2 2 349.479 1.024 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000359265099 446101480 /nfs/dbraw/zinc/10/14/80/446101480.db2.gz QGGRARPUYWFHIO-CQSZACIVSA-N 2 2 349.479 1.024 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)NC1CC[NH+](CC2CC2)CC1 ZINC000366240469 446102055 /nfs/dbraw/zinc/10/20/55/446102055.db2.gz OHQFIMZDSLPCBG-KRWDZBQOSA-N 2 2 336.480 1.023 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)NC1CC[NH+](CC2CC2)CC1 ZINC000366240469 446102060 /nfs/dbraw/zinc/10/20/60/446102060.db2.gz OHQFIMZDSLPCBG-KRWDZBQOSA-N 2 2 336.480 1.023 20 0 EDADLP COCCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365261586 446109384 /nfs/dbraw/zinc/10/93/84/446109384.db2.gz XODHGZCXSYYXAC-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP COCCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365261586 446109386 /nfs/dbraw/zinc/10/93/86/446109386.db2.gz XODHGZCXSYYXAC-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369371301 446111251 /nfs/dbraw/zinc/11/12/51/446111251.db2.gz UWYZATVFAIQTBY-NVXWUHKLSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369371301 446111253 /nfs/dbraw/zinc/11/12/53/446111253.db2.gz UWYZATVFAIQTBY-NVXWUHKLSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369372572 446111430 /nfs/dbraw/zinc/11/14/30/446111430.db2.gz KBVUWCAHADJQTL-NUJGCVRESA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369372572 446111433 /nfs/dbraw/zinc/11/14/33/446111433.db2.gz KBVUWCAHADJQTL-NUJGCVRESA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372572 446111436 /nfs/dbraw/zinc/11/14/36/446111436.db2.gz KBVUWCAHADJQTL-NUJGCVRESA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372572 446111439 /nfs/dbraw/zinc/11/14/39/446111439.db2.gz KBVUWCAHADJQTL-NUJGCVRESA-N 3 2 349.523 1.033 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359291955 446126024 /nfs/dbraw/zinc/12/60/24/446126024.db2.gz UASFWPNOYAHCQI-HUUCEWRRSA-N 2 2 335.423 1.204 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)cc2n1C ZINC000366369566 446177267 /nfs/dbraw/zinc/17/72/67/446177267.db2.gz ISEKAHSZCWWMKD-MRXNPFEDSA-N 2 2 342.443 1.865 20 0 EDADLP Cn1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2=O)n1 ZINC000370048011 446178231 /nfs/dbraw/zinc/17/82/31/446178231.db2.gz VSIDGNBOIRHDLF-QGZVFWFLSA-N 2 2 345.491 1.912 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000365381984 446178532 /nfs/dbraw/zinc/17/85/32/446178532.db2.gz AZPQQXHIJAUOEQ-SFHVURJKSA-N 2 2 331.460 1.440 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000365381984 446178535 /nfs/dbraw/zinc/17/85/35/446178535.db2.gz AZPQQXHIJAUOEQ-SFHVURJKSA-N 2 2 331.460 1.440 20 0 EDADLP CNC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)CC1 ZINC000359384753 446189273 /nfs/dbraw/zinc/18/92/73/446189273.db2.gz SSWMUSZHEOKSHS-UHFFFAOYSA-N 2 2 332.379 1.251 20 0 EDADLP C[C@H]1C[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000356956070 446157614 /nfs/dbraw/zinc/15/76/14/446157614.db2.gz QSLINJNTTKTULY-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[N@@H+]1C1CC1 ZINC000370276681 446209677 /nfs/dbraw/zinc/20/96/77/446209677.db2.gz YCRSFVCKXRGKSK-HIFRSBDPSA-N 2 2 340.431 1.692 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[N@H+]1C1CC1 ZINC000370276681 446209681 /nfs/dbraw/zinc/20/96/81/446209681.db2.gz YCRSFVCKXRGKSK-HIFRSBDPSA-N 2 2 340.431 1.692 20 0 EDADLP Cn1c2c([nH+]c1[C@@H]1CCCN1C[C@H](O)C[N@H+](C)C1CC1)CCCC2 ZINC000351618200 446213368 /nfs/dbraw/zinc/21/33/68/446213368.db2.gz FNWZSNKESITLJO-QAPCUYQASA-N 2 2 332.492 1.891 20 0 EDADLP Cn1c2c([nH+]c1[C@@H]1CCCN1C[C@H](O)C[N@@H+](C)C1CC1)CCCC2 ZINC000351618200 446213371 /nfs/dbraw/zinc/21/33/71/446213371.db2.gz FNWZSNKESITLJO-QAPCUYQASA-N 2 2 332.492 1.891 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000366440298 446214687 /nfs/dbraw/zinc/21/46/87/446214687.db2.gz PZMLUMDLKANEJN-OAHLLOKOSA-N 2 2 335.452 1.124 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359578510 446301786 /nfs/dbraw/zinc/30/17/86/446301786.db2.gz IMAXWIAJFZJLJH-HNNXBMFYSA-N 2 2 333.480 1.579 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[N@H+](C)CCOC ZINC000373724770 446314327 /nfs/dbraw/zinc/31/43/27/446314327.db2.gz CJNAZRYYAHXBLP-HNNXBMFYSA-N 2 2 337.468 1.718 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCC[N@@H+](C)CCOC ZINC000373724770 446314330 /nfs/dbraw/zinc/31/43/30/446314330.db2.gz CJNAZRYYAHXBLP-HNNXBMFYSA-N 2 2 337.468 1.718 20 0 EDADLP Cc1cc([C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)ccc1F ZINC000373755025 446326300 /nfs/dbraw/zinc/32/63/00/446326300.db2.gz URGHBZWRRCRXMY-SFHVURJKSA-N 2 2 349.450 1.672 20 0 EDADLP Cc1cc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)ccc1F ZINC000373755025 446326303 /nfs/dbraw/zinc/32/63/03/446326303.db2.gz URGHBZWRRCRXMY-SFHVURJKSA-N 2 2 349.450 1.672 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000366773930 446344721 /nfs/dbraw/zinc/34/47/21/446344721.db2.gz QWIAGUUEHAUORH-HOTGVXAUSA-N 2 2 333.480 1.897 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000366773930 446344725 /nfs/dbraw/zinc/34/47/25/446344725.db2.gz QWIAGUUEHAUORH-HOTGVXAUSA-N 2 2 333.480 1.897 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417526300 446361132 /nfs/dbraw/zinc/36/11/32/446361132.db2.gz BVIXWNXOEASQRV-MGPQQGTHSA-N 2 2 332.439 1.793 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000376244480 446396398 /nfs/dbraw/zinc/39/63/98/446396398.db2.gz KRXYNDCTXSDYDC-LPHOPBHVSA-N 2 2 329.444 1.339 20 0 EDADLP Ic1ccc(OCC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423117528 446429102 /nfs/dbraw/zinc/42/91/02/446429102.db2.gz VUMIUXDKPVUPHS-LLVKDONJSA-N 2 2 332.185 1.622 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@H](C[NH3+])C2)nc[nH+]1 ZINC000420244987 446429049 /nfs/dbraw/zinc/42/90/49/446429049.db2.gz RIQBVFRIAAAHLG-CPUCHLNUSA-N 2 2 335.452 1.256 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@H](C[NH3+])C2)[nH+]cn1 ZINC000420244987 446429053 /nfs/dbraw/zinc/42/90/53/446429053.db2.gz RIQBVFRIAAAHLG-CPUCHLNUSA-N 2 2 335.452 1.256 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncnn3C(C)(C)C)CC2)CC1 ZINC000366974934 446437826 /nfs/dbraw/zinc/43/78/26/446437826.db2.gz IVJWKBZEABEOBQ-UHFFFAOYSA-N 2 2 348.539 1.883 20 0 EDADLP C[C@@H]1CSC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376345001 446444200 /nfs/dbraw/zinc/44/42/00/446444200.db2.gz XAALCWJUJQJJRI-IPYPFGDCSA-N 2 2 326.510 1.206 20 0 EDADLP C[C@@H]1CSC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376345001 446444206 /nfs/dbraw/zinc/44/42/06/446444206.db2.gz XAALCWJUJQJJRI-IPYPFGDCSA-N 2 2 326.510 1.206 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC[C@@H]2CC[NH2+]CC2(F)F)[nH+]cn1 ZINC000420276535 446446869 /nfs/dbraw/zinc/44/68/69/446446869.db2.gz HPYPRKXMHHRZDQ-NWDGAFQWSA-N 2 2 327.379 1.094 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC[C@@H]2CC[NH2+]CC2(F)F)nc[nH+]1 ZINC000420276535 446446873 /nfs/dbraw/zinc/44/68/73/446446873.db2.gz HPYPRKXMHHRZDQ-NWDGAFQWSA-N 2 2 327.379 1.094 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420287526 446453105 /nfs/dbraw/zinc/45/31/05/446453105.db2.gz IAJDKFJJAIWHEF-SZMVWBNQSA-N 3 2 332.492 1.465 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420287526 446453107 /nfs/dbraw/zinc/45/31/07/446453107.db2.gz IAJDKFJJAIWHEF-SZMVWBNQSA-N 3 2 332.492 1.465 20 0 EDADLP C[N@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)CC(C)(C)C[NH3+] ZINC000420284664 446450936 /nfs/dbraw/zinc/45/09/36/446450936.db2.gz DECWWDYWHYJPAN-UHFFFAOYSA-N 2 2 340.431 1.938 20 0 EDADLP C[C@H](CCNC(=O)NC[C@H]1CC[NH2+]CC1(F)F)[NH+]1CCCCC1 ZINC000417999048 446411610 /nfs/dbraw/zinc/41/16/10/446411610.db2.gz HPIXKULHZTXQBF-ZIAGYGMSSA-N 2 2 332.439 1.795 20 0 EDADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370756883 446418674 /nfs/dbraw/zinc/41/86/74/446418674.db2.gz LHLIMRTZORHANO-MQVJKMGUSA-N 2 2 325.416 1.804 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000411181823 446420191 /nfs/dbraw/zinc/42/01/91/446420191.db2.gz GLNSSWCWBUAOGB-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000411181823 446420194 /nfs/dbraw/zinc/42/01/94/446420194.db2.gz GLNSSWCWBUAOGB-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420294508 446457768 /nfs/dbraw/zinc/45/77/68/446457768.db2.gz OOZHBVMSEBUFRH-LJQANCHMSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420294508 446457775 /nfs/dbraw/zinc/45/77/75/446457775.db2.gz OOZHBVMSEBUFRH-LJQANCHMSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420294508 446457781 /nfs/dbraw/zinc/45/77/81/446457781.db2.gz OOZHBVMSEBUFRH-LJQANCHMSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420294508 446457787 /nfs/dbraw/zinc/45/77/87/446457787.db2.gz OOZHBVMSEBUFRH-LJQANCHMSA-N 3 2 344.503 1.310 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@@H]1C ZINC000423224307 446457920 /nfs/dbraw/zinc/45/79/20/446457920.db2.gz BUEVFNPNFLFSDK-YCPHGPKFSA-N 2 2 332.448 1.881 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000420298937 446461421 /nfs/dbraw/zinc/46/14/21/446461421.db2.gz AGZXHMMHXUKCCG-MJBXVCDLSA-N 2 2 333.432 1.660 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000420298937 446461428 /nfs/dbraw/zinc/46/14/28/446461428.db2.gz AGZXHMMHXUKCCG-MJBXVCDLSA-N 2 2 333.432 1.660 20 0 EDADLP C[NH+]1CCN(c2cc(C(=O)Nc3c[nH+]c4n3CCCC4)ccn2)CC1 ZINC000452752982 446461897 /nfs/dbraw/zinc/46/18/97/446461897.db2.gz IQGLMFYFEICBSH-UHFFFAOYSA-N 2 2 340.431 1.619 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000420298934 446462608 /nfs/dbraw/zinc/46/26/08/446462608.db2.gz AGZXHMMHXUKCCG-BFHYXJOUSA-N 2 2 333.432 1.660 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000420298934 446462611 /nfs/dbraw/zinc/46/26/11/446462611.db2.gz AGZXHMMHXUKCCG-BFHYXJOUSA-N 2 2 333.432 1.660 20 0 EDADLP C[C@H]1C[N@H+](CCN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000420315489 446481139 /nfs/dbraw/zinc/48/11/39/446481139.db2.gz ROZYTHCDNZAIGZ-HKUYNNGSSA-N 2 2 332.492 1.746 20 0 EDADLP C[C@H]1C[N@@H+](CCN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000420315489 446481143 /nfs/dbraw/zinc/48/11/43/446481143.db2.gz ROZYTHCDNZAIGZ-HKUYNNGSSA-N 2 2 332.492 1.746 20 0 EDADLP C[C@H]1CN(CC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000420315489 446481152 /nfs/dbraw/zinc/48/11/52/446481152.db2.gz ROZYTHCDNZAIGZ-HKUYNNGSSA-N 2 2 332.492 1.746 20 0 EDADLP C[C@H]1CN(CC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000420315489 446481156 /nfs/dbraw/zinc/48/11/56/446481156.db2.gz ROZYTHCDNZAIGZ-HKUYNNGSSA-N 2 2 332.492 1.746 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2nc3cccnc3s2)C1 ZINC000420300278 446464103 /nfs/dbraw/zinc/46/41/03/446464103.db2.gz CFVLCRNGEWMOEK-GFCCVEGCSA-N 2 2 331.445 1.088 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2nc3cccnc3s2)C1 ZINC000420300278 446464107 /nfs/dbraw/zinc/46/41/07/446464107.db2.gz CFVLCRNGEWMOEK-GFCCVEGCSA-N 2 2 331.445 1.088 20 0 EDADLP COc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370832345 446467903 /nfs/dbraw/zinc/46/79/03/446467903.db2.gz YHJUQBBCKNFTAT-KRWDZBQOSA-N 2 2 331.460 1.936 20 0 EDADLP COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370832345 446467907 /nfs/dbraw/zinc/46/79/07/446467907.db2.gz YHJUQBBCKNFTAT-KRWDZBQOSA-N 2 2 331.460 1.936 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000420307829 446469724 /nfs/dbraw/zinc/46/97/24/446469724.db2.gz MTFZZZNQJRESSJ-XDQVBPFNSA-N 2 2 333.432 1.658 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000420307829 446469732 /nfs/dbraw/zinc/46/97/32/446469732.db2.gz MTFZZZNQJRESSJ-XDQVBPFNSA-N 2 2 333.432 1.658 20 0 EDADLP COC[C@@]1(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC[NH2+]C1 ZINC000423301824 446480074 /nfs/dbraw/zinc/48/00/74/446480074.db2.gz GPQWPNQYJKOLNS-GOSISDBHSA-N 2 2 330.432 1.477 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000423328874 446489379 /nfs/dbraw/zinc/48/93/79/446489379.db2.gz SOCIYYGEOSODLU-NVXWUHKLSA-N 2 2 326.444 1.978 20 0 EDADLP COC(=O)c1cc(C)nc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000376449686 446503814 /nfs/dbraw/zinc/50/38/14/446503814.db2.gz NOWREIUPTORUFU-CQSZACIVSA-N 2 2 347.463 1.176 20 0 EDADLP C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000423368970 446504953 /nfs/dbraw/zinc/50/49/53/446504953.db2.gz BMITUCADOXXTOK-ZOBUZTSGSA-N 2 2 333.476 1.938 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000423391955 446514831 /nfs/dbraw/zinc/51/48/31/446514831.db2.gz PXRWZHRQYMNWNG-HOCLYGCPSA-N 2 2 337.489 1.707 20 0 EDADLP COc1cccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420328870 446497444 /nfs/dbraw/zinc/49/74/44/446497444.db2.gz NFMFSBOPOABRON-CQSZACIVSA-N 2 2 333.432 1.321 20 0 EDADLP COc1cccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420328870 446497452 /nfs/dbraw/zinc/49/74/52/446497452.db2.gz NFMFSBOPOABRON-CQSZACIVSA-N 2 2 333.432 1.321 20 0 EDADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423360759 446499643 /nfs/dbraw/zinc/49/96/43/446499643.db2.gz LMYJXYFTBKXECS-XEZPLFJOSA-N 2 2 325.478 1.586 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)ccn1 ZINC000375066650 446559010 /nfs/dbraw/zinc/55/90/10/446559010.db2.gz SJOYFKKSTUEGGO-CQSZACIVSA-N 2 2 329.404 1.722 20 0 EDADLP Cn1cc([C@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)CCC[N@H+]2C)cn1 ZINC000370920105 446521364 /nfs/dbraw/zinc/52/13/64/446521364.db2.gz ZAHIDXYQRJYXNA-RHSMWYFYSA-N 2 2 330.436 1.206 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418387654 446524550 /nfs/dbraw/zinc/52/45/50/446524550.db2.gz MLJDRONBYHOIJR-RDBSUJKOSA-N 2 2 342.484 1.815 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418387654 446524555 /nfs/dbraw/zinc/52/45/55/446524555.db2.gz MLJDRONBYHOIJR-RDBSUJKOSA-N 2 2 342.484 1.815 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1F ZINC000420348878 446524849 /nfs/dbraw/zinc/52/48/49/446524849.db2.gz NDKOINKNFUDJFV-CYBMUJFWSA-N 2 2 340.830 1.397 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1F ZINC000420348878 446524856 /nfs/dbraw/zinc/52/48/56/446524856.db2.gz NDKOINKNFUDJFV-CYBMUJFWSA-N 2 2 340.830 1.397 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1ccc2ccccc2c1 ZINC000420350246 446528115 /nfs/dbraw/zinc/52/81/15/446528115.db2.gz GDLYDIAPYWRPKI-DEYYWGMASA-N 2 2 329.444 1.657 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc2ccccc2c1 ZINC000420350246 446528125 /nfs/dbraw/zinc/52/81/25/446528125.db2.gz GDLYDIAPYWRPKI-DEYYWGMASA-N 2 2 329.444 1.657 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000420352562 446531260 /nfs/dbraw/zinc/53/12/60/446531260.db2.gz ARGXYSFMMUYZJU-ZDUSSCGKSA-N 2 2 339.509 1.640 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)cc(OC)c1 ZINC000423429971 446534452 /nfs/dbraw/zinc/53/44/52/446534452.db2.gz MEKMYVSYCRSEFE-BEFAXECRSA-N 2 2 345.443 1.100 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCC(C)(C)[NH3+])CC2)c1 ZINC000418414494 446535467 /nfs/dbraw/zinc/53/54/67/446535467.db2.gz LUNPSNPFNNMKNB-AWEZNQCLSA-N 2 2 334.464 1.821 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000420355627 446535609 /nfs/dbraw/zinc/53/56/09/446535609.db2.gz CDCWIZNMPQIXTH-RULNRJAQSA-N 2 2 341.253 1.759 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(C)[nH+]1 ZINC000411429334 446537303 /nfs/dbraw/zinc/53/73/03/446537303.db2.gz WZTVWRRNRHIIRN-OAHLLOKOSA-N 2 2 341.415 1.833 20 0 EDADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000423441810 446539596 /nfs/dbraw/zinc/53/95/96/446539596.db2.gz WGIFPUWPURPKPH-CZUORRHYSA-N 2 2 326.462 1.509 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000453056114 446541557 /nfs/dbraw/zinc/54/15/57/446541557.db2.gz FUXIAKPQZFIIIY-KSSFIOAISA-N 2 2 346.454 1.649 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000453056114 446541562 /nfs/dbraw/zinc/54/15/62/446541562.db2.gz FUXIAKPQZFIIIY-KSSFIOAISA-N 2 2 346.454 1.649 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1C ZINC000420363320 446542221 /nfs/dbraw/zinc/54/22/21/446542221.db2.gz JKBDYAZKTLTFPR-SUYBPPKGSA-N 2 2 332.448 1.928 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000418433005 446542280 /nfs/dbraw/zinc/54/22/80/446542280.db2.gz CPUWPBMSQNVXFK-GJZGRUSLSA-N 2 2 334.468 1.066 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000418433005 446542287 /nfs/dbraw/zinc/54/22/87/446542287.db2.gz CPUWPBMSQNVXFK-GJZGRUSLSA-N 2 2 334.468 1.066 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]21 ZINC000375055953 446550664 /nfs/dbraw/zinc/55/06/64/446550664.db2.gz BQBDMAFZUAKUEP-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]21 ZINC000375055953 446550670 /nfs/dbraw/zinc/55/06/70/446550670.db2.gz BQBDMAFZUAKUEP-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP [NH3+]C[C@@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)C1CCCCC1 ZINC000420373488 446550969 /nfs/dbraw/zinc/55/09/69/446550969.db2.gz REFCMRXDLWMNDQ-GOSISDBHSA-N 2 2 344.503 1.663 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000418459896 446552583 /nfs/dbraw/zinc/55/25/83/446552583.db2.gz JKTAVPDMIFBGAH-RHSMWYFYSA-N 2 2 332.448 1.322 20 0 EDADLP C[C@@H]1CC[N@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000420394790 446568692 /nfs/dbraw/zinc/56/86/92/446568692.db2.gz CRYCGNJIAMXVMN-ZIAGYGMSSA-N 2 2 326.462 1.386 20 0 EDADLP C[C@@H]1CC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000420394790 446568699 /nfs/dbraw/zinc/56/86/99/446568699.db2.gz CRYCGNJIAMXVMN-ZIAGYGMSSA-N 2 2 326.462 1.386 20 0 EDADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NC[C@@H]1CCCO1 ZINC000411510395 446578089 /nfs/dbraw/zinc/57/80/89/446578089.db2.gz YGGANFKJOKEGAW-KRWDZBQOSA-N 2 2 334.464 1.671 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418523497 446580306 /nfs/dbraw/zinc/58/03/06/446580306.db2.gz LFJRSWQDPBDLRT-UHFFFAOYSA-N 2 2 348.438 1.114 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420415293 446588870 /nfs/dbraw/zinc/58/88/70/446588870.db2.gz VBHHZBHUBDSSKI-MAUKXSAKSA-N 2 2 333.476 1.756 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420415293 446588875 /nfs/dbraw/zinc/58/88/75/446588875.db2.gz VBHHZBHUBDSSKI-MAUKXSAKSA-N 2 2 333.476 1.756 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)C1CC[NH+](CC(F)F)CC1 ZINC000367915367 446608764 /nfs/dbraw/zinc/60/87/64/446608764.db2.gz ILYIQZKBPSIVEJ-HUUCEWRRSA-N 2 2 345.434 1.333 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)C1CC[NH+](CC(F)F)CC1 ZINC000367915367 446608771 /nfs/dbraw/zinc/60/87/71/446608771.db2.gz ILYIQZKBPSIVEJ-HUUCEWRRSA-N 2 2 345.434 1.333 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418672204 446644052 /nfs/dbraw/zinc/64/40/52/446644052.db2.gz UBXXXXXIMPZWAP-JYJNAYRXSA-N 2 2 326.485 1.114 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418690609 446649287 /nfs/dbraw/zinc/64/92/87/446649287.db2.gz CXZWUTHVELZXRG-JYILRKAJSA-N 2 2 341.431 1.239 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418690609 446649295 /nfs/dbraw/zinc/64/92/95/446649295.db2.gz CXZWUTHVELZXRG-JYILRKAJSA-N 2 2 341.431 1.239 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)[C@@H](c2ccccc2)C1 ZINC000423722573 446660871 /nfs/dbraw/zinc/66/08/71/446660871.db2.gz GJRWJNQRJSZIJI-CRAIPNDOSA-N 2 2 339.443 1.616 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)[C@@H](c2ccccc2)C1 ZINC000423722573 446660876 /nfs/dbraw/zinc/66/08/76/446660876.db2.gz GJRWJNQRJSZIJI-CRAIPNDOSA-N 2 2 339.443 1.616 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418751210 446671549 /nfs/dbraw/zinc/67/15/49/446671549.db2.gz QJDFZUFFBAAEFQ-GFCCVEGCSA-N 2 2 327.379 1.570 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418652859 446633762 /nfs/dbraw/zinc/63/37/62/446633762.db2.gz NONFVJYXHKZWTA-QAPCUYQASA-N 2 2 348.491 1.611 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000423756922 446686935 /nfs/dbraw/zinc/68/69/35/446686935.db2.gz LPTRIAGDUUTARX-LSDHHAIUSA-N 2 2 337.489 1.546 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)c1ccco1 ZINC000376798578 446724214 /nfs/dbraw/zinc/72/42/14/446724214.db2.gz HJVZJFPRPJGJRV-CQSZACIVSA-N 2 2 331.420 1.915 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423840023 446726993 /nfs/dbraw/zinc/72/69/93/446726993.db2.gz YKZSAYDWSDTVTO-MJBXVCDLSA-N 2 2 329.803 1.314 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423840023 446727000 /nfs/dbraw/zinc/72/70/00/446727000.db2.gz YKZSAYDWSDTVTO-MJBXVCDLSA-N 2 2 329.803 1.314 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000423851724 446732438 /nfs/dbraw/zinc/73/24/38/446732438.db2.gz UREUAWXFRMRUHX-DLBZAZTESA-N 2 2 344.459 1.417 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418762853 446681704 /nfs/dbraw/zinc/68/17/04/446681704.db2.gz MKJHEIFDTYKKHI-AWEZNQCLSA-N 2 2 334.455 1.995 20 0 EDADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423753741 446683410 /nfs/dbraw/zinc/68/34/10/446683410.db2.gz HENYQIKKDKHWEZ-RDJZCZTQSA-N 2 2 342.443 1.017 20 0 EDADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423753741 446683417 /nfs/dbraw/zinc/68/34/17/446683417.db2.gz HENYQIKKDKHWEZ-RDJZCZTQSA-N 2 2 342.443 1.017 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C[C@@H]1C ZINC000423905816 446756006 /nfs/dbraw/zinc/75/60/06/446756006.db2.gz ZLKUUYBCFANKLV-GOEBONIOSA-N 2 2 339.480 1.380 20 0 EDADLP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423916201 446765560 /nfs/dbraw/zinc/76/55/60/446765560.db2.gz MZKNXELPJFRCFD-RDBSUJKOSA-N 2 2 325.453 1.776 20 0 EDADLP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423916201 446765565 /nfs/dbraw/zinc/76/55/65/446765565.db2.gz MZKNXELPJFRCFD-RDBSUJKOSA-N 2 2 325.453 1.776 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000423916157 446765583 /nfs/dbraw/zinc/76/55/83/446765583.db2.gz MUIYIEKZFJMYOW-ZNMIVQPWSA-N 2 2 338.427 1.462 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000423916157 446765588 /nfs/dbraw/zinc/76/55/88/446765588.db2.gz MUIYIEKZFJMYOW-ZNMIVQPWSA-N 2 2 338.427 1.462 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)ccc2n1C1CC1 ZINC000423924953 446774755 /nfs/dbraw/zinc/77/47/55/446774755.db2.gz ANLJCMMGSPKOQF-DZGCQCFKSA-N 2 2 328.416 1.273 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423934746 446785895 /nfs/dbraw/zinc/78/58/95/446785895.db2.gz ZQUKFPTYBFCNJZ-QLFBSQMISA-N 2 2 332.448 1.502 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCCO1 ZINC000424015710 446823618 /nfs/dbraw/zinc/82/36/18/446823618.db2.gz CPXGWWZOZCOKIC-IRXDYDNUSA-N 2 2 349.500 1.353 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+]1CCCC[C@H]1C ZINC000454252422 446826217 /nfs/dbraw/zinc/82/62/17/446826217.db2.gz DHFIFDLDKVXVQM-NCOADZHNSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+]2CCO[C@H]1C2)[NH+]1CCCC[C@H]1C ZINC000454252422 446826221 /nfs/dbraw/zinc/82/62/21/446826221.db2.gz DHFIFDLDKVXVQM-NCOADZHNSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2)[N@@H+]1CCCC[C@H]1C ZINC000454252422 446826227 /nfs/dbraw/zinc/82/62/27/446826227.db2.gz DHFIFDLDKVXVQM-NCOADZHNSA-N 2 2 338.496 1.364 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)NCCCC[NH+]2CCOCC2)CC1(C)C ZINC000454339728 446850893 /nfs/dbraw/zinc/85/08/93/446850893.db2.gz XZSPXMSHWVDVNJ-OAHLLOKOSA-N 2 2 349.479 1.625 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)n1C ZINC000438885736 446802574 /nfs/dbraw/zinc/80/25/74/446802574.db2.gz KQKRHPZXRVBJKS-HNNXBMFYSA-N 2 2 340.431 1.154 20 0 EDADLP Cc1cc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc(C)[nH+]1 ZINC000420857300 446858175 /nfs/dbraw/zinc/85/81/75/446858175.db2.gz ZOXCGEDKNHZXBM-OAHLLOKOSA-N 2 2 334.464 1.685 20 0 EDADLP Cc1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc(C)[nH+]1 ZINC000420857300 446858185 /nfs/dbraw/zinc/85/81/85/446858185.db2.gz ZOXCGEDKNHZXBM-OAHLLOKOSA-N 2 2 334.464 1.685 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000424298485 446866580 /nfs/dbraw/zinc/86/65/80/446866580.db2.gz DGJGAKQPIWESQC-CQXHKVKOSA-N 2 2 348.491 1.641 20 0 EDADLP CC(=O)N1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420896335 446874946 /nfs/dbraw/zinc/87/49/46/446874946.db2.gz ABFIHERVKIMHJK-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP CC(=O)N1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420896335 446874952 /nfs/dbraw/zinc/87/49/52/446874952.db2.gz ABFIHERVKIMHJK-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP COC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)O1 ZINC000420912873 446886104 /nfs/dbraw/zinc/88/61/04/446886104.db2.gz ADUBTGDEZMYJFA-VQIMIIECSA-N 2 2 334.460 1.755 20 0 EDADLP COC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)O1 ZINC000420912873 446886110 /nfs/dbraw/zinc/88/61/10/446886110.db2.gz ADUBTGDEZMYJFA-VQIMIIECSA-N 2 2 334.460 1.755 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000420917720 446887473 /nfs/dbraw/zinc/88/74/73/446887473.db2.gz NZMHYARTBXISRZ-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000420917720 446887478 /nfs/dbraw/zinc/88/74/78/446887478.db2.gz NZMHYARTBXISRZ-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420933543 446905042 /nfs/dbraw/zinc/90/50/42/446905042.db2.gz GDZSJHNFPDCGEJ-IXDOHACOSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420933543 446905048 /nfs/dbraw/zinc/90/50/48/446905048.db2.gz GDZSJHNFPDCGEJ-IXDOHACOSA-N 2 2 346.475 1.069 20 0 EDADLP CS[C@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1[NH+](C)C ZINC000420935950 446909076 /nfs/dbraw/zinc/90/90/76/446909076.db2.gz KEHNZPYSZMLPAG-MOPGFXCFSA-N 2 2 349.544 1.996 20 0 EDADLP O=C1C[C@@]2(CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)CN1 ZINC000420946270 446919229 /nfs/dbraw/zinc/91/92/29/446919229.db2.gz AWBFKWFVHGAKJA-IBGZPJMESA-N 2 2 329.444 1.231 20 0 EDADLP O=C1C[C@@]2(CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)CN1 ZINC000420946270 446919238 /nfs/dbraw/zinc/91/92/38/446919238.db2.gz AWBFKWFVHGAKJA-IBGZPJMESA-N 2 2 329.444 1.231 20 0 EDADLP C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CCO2 ZINC000420960866 446933025 /nfs/dbraw/zinc/93/30/25/446933025.db2.gz IBMFZUAAFNIHLD-XLIONFOSSA-N 2 2 346.471 1.899 20 0 EDADLP C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CCO2 ZINC000420960866 446933030 /nfs/dbraw/zinc/93/30/30/446933030.db2.gz IBMFZUAAFNIHLD-XLIONFOSSA-N 2 2 346.471 1.899 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C2 ZINC000371693368 446948352 /nfs/dbraw/zinc/94/83/52/446948352.db2.gz FVBZFUGJLOVLKT-AWEZNQCLSA-N 2 2 331.420 1.921 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000368580884 446957165 /nfs/dbraw/zinc/95/71/65/446957165.db2.gz CWWNFIQKNFIBOX-QGZVFWFLSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000368580884 446957171 /nfs/dbraw/zinc/95/71/71/446957171.db2.gz CWWNFIQKNFIBOX-QGZVFWFLSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000442766541 446958976 /nfs/dbraw/zinc/95/89/76/446958976.db2.gz WUXOZBWJFHXSJJ-UONOGXRCSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000442766541 446958981 /nfs/dbraw/zinc/95/89/81/446958981.db2.gz WUXOZBWJFHXSJJ-UONOGXRCSA-N 2 2 330.432 1.421 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)CC1 ZINC000377163790 446963607 /nfs/dbraw/zinc/96/36/07/446963607.db2.gz DGHDPOIBWTUSCS-CVEARBPZSA-N 2 2 333.480 1.450 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)CC1 ZINC000377163790 446963614 /nfs/dbraw/zinc/96/36/14/446963614.db2.gz DGHDPOIBWTUSCS-CVEARBPZSA-N 2 2 333.480 1.450 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)CC1 ZINC000377163790 446963618 /nfs/dbraw/zinc/96/36/18/446963618.db2.gz DGHDPOIBWTUSCS-CVEARBPZSA-N 2 2 333.480 1.450 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)CC1 ZINC000377163790 446963628 /nfs/dbraw/zinc/96/36/28/446963628.db2.gz DGHDPOIBWTUSCS-CVEARBPZSA-N 2 2 333.480 1.450 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000413114798 447012038 /nfs/dbraw/zinc/01/20/38/447012038.db2.gz TZKVUQTYCHWLNV-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000413114798 447012044 /nfs/dbraw/zinc/01/20/44/447012044.db2.gz TZKVUQTYCHWLNV-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000413114798 447012049 /nfs/dbraw/zinc/01/20/49/447012049.db2.gz TZKVUQTYCHWLNV-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000413114798 447012054 /nfs/dbraw/zinc/01/20/54/447012054.db2.gz TZKVUQTYCHWLNV-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000377176757 446973334 /nfs/dbraw/zinc/97/33/34/446973334.db2.gz VUQJSKRAQHMRAO-AEFFLSMTSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000377176757 446973341 /nfs/dbraw/zinc/97/33/41/446973341.db2.gz VUQJSKRAQHMRAO-AEFFLSMTSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1CC(C)(C)O ZINC000377176757 446973344 /nfs/dbraw/zinc/97/33/44/446973344.db2.gz VUQJSKRAQHMRAO-AEFFLSMTSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1CC(C)(C)O ZINC000377176757 446973349 /nfs/dbraw/zinc/97/33/49/446973349.db2.gz VUQJSKRAQHMRAO-AEFFLSMTSA-N 2 2 345.487 1.565 20 0 EDADLP CC(C)n1ncnc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000375749999 447021453 /nfs/dbraw/zinc/02/14/53/447021453.db2.gz RPCIVKZIVIYVOS-UHFFFAOYSA-N 2 2 348.495 1.235 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@H]4CCOC[C@H]43)c2cc1C ZINC000368631003 446993283 /nfs/dbraw/zinc/99/32/83/446993283.db2.gz GECSAFLOGRRKGY-LZQZEXGQSA-N 2 2 345.443 1.504 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@H]4CCOC[C@H]43)c2cc1C ZINC000368631003 446993286 /nfs/dbraw/zinc/99/32/86/446993286.db2.gz GECSAFLOGRRKGY-LZQZEXGQSA-N 2 2 345.443 1.504 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000375794782 447056697 /nfs/dbraw/zinc/05/66/97/447056697.db2.gz LSRPCEQMLOSRGI-KGLIPLIRSA-N 2 2 328.420 1.795 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372487476 447082936 /nfs/dbraw/zinc/08/29/36/447082936.db2.gz PSRLJLSQOOTMFY-RDJZCZTQSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372487476 447082943 /nfs/dbraw/zinc/08/29/43/447082943.db2.gz PSRLJLSQOOTMFY-RDJZCZTQSA-N 2 2 338.496 1.223 20 0 EDADLP COCCCC[N@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419381917 447140915 /nfs/dbraw/zinc/14/09/15/447140915.db2.gz HMMZLYJRCVZSNW-MRXNPFEDSA-N 2 2 334.464 1.477 20 0 EDADLP COCCCC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000419381917 447140921 /nfs/dbraw/zinc/14/09/21/447140921.db2.gz HMMZLYJRCVZSNW-MRXNPFEDSA-N 2 2 334.464 1.477 20 0 EDADLP c1cn([C@H]2CCC[NH+](CCC[N@@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425508876 447203872 /nfs/dbraw/zinc/20/38/72/447203872.db2.gz NWWNBYKLXWXNMP-IRXDYDNUSA-N 2 2 344.467 1.234 20 0 EDADLP c1cn([C@H]2CCC[NH+](CCC[N@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425508876 447203879 /nfs/dbraw/zinc/20/38/79/447203879.db2.gz NWWNBYKLXWXNMP-IRXDYDNUSA-N 2 2 344.467 1.234 20 0 EDADLP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000377626877 447255101 /nfs/dbraw/zinc/25/51/01/447255101.db2.gz LADIRZOQIHTQMX-QGZVFWFLSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)c1cc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1C ZINC000377626877 447255106 /nfs/dbraw/zinc/25/51/06/447255106.db2.gz LADIRZOQIHTQMX-QGZVFWFLSA-N 2 2 348.491 1.412 20 0 EDADLP COc1cccc(C(=O)NCC[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000414292142 447286841 /nfs/dbraw/zinc/28/68/41/447286841.db2.gz BRBWNWBSUHWOLA-UHFFFAOYSA-N 2 2 331.420 1.014 20 0 EDADLP CN(C)C(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377631234 447256624 /nfs/dbraw/zinc/25/66/24/447256624.db2.gz RGVJTBUNGFNARF-KRWDZBQOSA-N 2 2 347.507 1.317 20 0 EDADLP CN(C)C(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377631234 447256629 /nfs/dbraw/zinc/25/66/29/447256629.db2.gz RGVJTBUNGFNARF-KRWDZBQOSA-N 2 2 347.507 1.317 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377631234 447256636 /nfs/dbraw/zinc/25/66/36/447256636.db2.gz RGVJTBUNGFNARF-KRWDZBQOSA-N 2 2 347.507 1.317 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377631234 447256640 /nfs/dbraw/zinc/25/66/40/447256640.db2.gz RGVJTBUNGFNARF-KRWDZBQOSA-N 2 2 347.507 1.317 20 0 EDADLP CN(C)C(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377631235 447257859 /nfs/dbraw/zinc/25/78/59/447257859.db2.gz RGVJTBUNGFNARF-QGZVFWFLSA-N 2 2 347.507 1.317 20 0 EDADLP CN(C)C(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377631235 447257862 /nfs/dbraw/zinc/25/78/62/447257862.db2.gz RGVJTBUNGFNARF-QGZVFWFLSA-N 2 2 347.507 1.317 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377631235 447257866 /nfs/dbraw/zinc/25/78/66/447257866.db2.gz RGVJTBUNGFNARF-QGZVFWFLSA-N 2 2 347.507 1.317 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000377631235 447257871 /nfs/dbraw/zinc/25/78/71/447257871.db2.gz RGVJTBUNGFNARF-QGZVFWFLSA-N 2 2 347.507 1.317 20 0 EDADLP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000376085559 447259069 /nfs/dbraw/zinc/25/90/69/447259069.db2.gz WKCNSDZPFLGWFU-UONOGXRCSA-N 2 2 341.452 1.221 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421825862 447261251 /nfs/dbraw/zinc/26/12/51/447261251.db2.gz PQRHTDUVNJUKFR-PKOBYXMFSA-N 2 2 344.503 1.861 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421825862 447261256 /nfs/dbraw/zinc/26/12/56/447261256.db2.gz PQRHTDUVNJUKFR-PKOBYXMFSA-N 2 2 344.503 1.861 20 0 EDADLP C[C@H]1CN(C(=O)OC2CCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377654690 447275900 /nfs/dbraw/zinc/27/59/00/447275900.db2.gz RQMQUDHTMYJFAU-AWEZNQCLSA-N 2 2 325.453 1.402 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000425719341 447277712 /nfs/dbraw/zinc/27/77/12/447277712.db2.gz BLKFXXPGEHAEBI-IEBWSBKVSA-N 2 2 348.466 1.949 20 0 EDADLP CNc1nc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)[nH+]c2ccccc21 ZINC000450313330 447450345 /nfs/dbraw/zinc/45/03/45/447450345.db2.gz QEGQTAMJOFZTAA-AWEZNQCLSA-N 2 2 343.475 2.201 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000458779758 447476351 /nfs/dbraw/zinc/47/63/51/447476351.db2.gz UMOZLAXQUWFLOW-LSDHHAIUSA-N 2 2 335.452 1.017 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000427301492 447577623 /nfs/dbraw/zinc/57/76/23/447577623.db2.gz XVWWAVLNGQKXNN-IEBWSBKVSA-N 2 2 345.487 1.783 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000427301492 447577628 /nfs/dbraw/zinc/57/76/28/447577628.db2.gz XVWWAVLNGQKXNN-IEBWSBKVSA-N 2 2 345.487 1.783 20 0 EDADLP C[C@@H]1CN(Cc2cn(CC3CC3)nn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450653480 447549601 /nfs/dbraw/zinc/54/96/01/447549601.db2.gz PPJHEJZOTJMXPB-OAHLLOKOSA-N 2 2 332.496 1.288 20 0 EDADLP C[C@@H]1CN(Cc2cn(CC3CC3)nn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450653480 447549606 /nfs/dbraw/zinc/54/96/06/447549606.db2.gz PPJHEJZOTJMXPB-OAHLLOKOSA-N 2 2 332.496 1.288 20 0 EDADLP Cc1c(Cl)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)nn1C ZINC000422554572 447640639 /nfs/dbraw/zinc/64/06/39/447640639.db2.gz MRDUFJFPTSRALD-UHFFFAOYSA-N 2 2 325.888 1.688 20 0 EDADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)O1 ZINC000459156433 447598209 /nfs/dbraw/zinc/59/82/09/447598209.db2.gz BSPSCNJESXCTKZ-BFYDXBDKSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)O1 ZINC000459156433 447598216 /nfs/dbraw/zinc/59/82/16/447598216.db2.gz BSPSCNJESXCTKZ-BFYDXBDKSA-N 2 2 338.496 1.364 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1cccc(F)c1 ZINC000416907911 447705549 /nfs/dbraw/zinc/70/55/49/447705549.db2.gz JAAXAMMTDPXXIN-LSDHHAIUSA-N 2 2 331.395 1.685 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408459918 447663116 /nfs/dbraw/zinc/66/31/16/447663116.db2.gz ZVJPVMKHNITOJJ-OWCLPIDISA-N 2 2 331.526 1.699 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408459918 447663123 /nfs/dbraw/zinc/66/31/23/447663123.db2.gz ZVJPVMKHNITOJJ-OWCLPIDISA-N 2 2 331.526 1.699 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459444567 447668037 /nfs/dbraw/zinc/66/80/37/447668037.db2.gz OAFFBKYWEXCCBJ-UHFFFAOYSA-N 2 2 341.415 1.785 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422640397 447684105 /nfs/dbraw/zinc/68/41/05/447684105.db2.gz VKHYFHAEQOPYFZ-IPYPFGDCSA-N 2 2 333.432 1.717 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422640397 447684108 /nfs/dbraw/zinc/68/41/08/447684108.db2.gz VKHYFHAEQOPYFZ-IPYPFGDCSA-N 2 2 333.432 1.717 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422640445 447684301 /nfs/dbraw/zinc/68/43/01/447684301.db2.gz VORNTGZMROADLD-ILXRZTDVSA-N 2 2 340.489 1.774 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422640445 447684303 /nfs/dbraw/zinc/68/43/03/447684303.db2.gz VORNTGZMROADLD-ILXRZTDVSA-N 2 2 340.489 1.774 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422640926 447684861 /nfs/dbraw/zinc/68/48/61/447684861.db2.gz WOSHGMHOFHHPGE-DZKIICNBSA-N 2 2 346.475 1.680 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422640926 447684867 /nfs/dbraw/zinc/68/48/67/447684867.db2.gz WOSHGMHOFHHPGE-DZKIICNBSA-N 2 2 346.475 1.680 20 0 EDADLP Cc1ccc(CCC[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c[nH+]1 ZINC000428282794 447687910 /nfs/dbraw/zinc/68/79/10/447687910.db2.gz QXHNLNOVCFXCQR-UHFFFAOYSA-N 2 2 337.489 1.869 20 0 EDADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416942048 447718681 /nfs/dbraw/zinc/71/86/81/447718681.db2.gz AUOUEHXVZOCOKE-DOTOQJQBSA-N 2 2 341.459 1.771 20 0 EDADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000422713789 447725371 /nfs/dbraw/zinc/72/53/71/447725371.db2.gz HXOBCNNGYAOHFI-PXNSSMCTSA-N 3 2 347.503 1.875 20 0 EDADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)N2CCOCC2)cc1 ZINC000422716657 447727003 /nfs/dbraw/zinc/72/70/03/447727003.db2.gz UVHCXAKMXYNFLL-IHPCNDPISA-N 2 2 347.503 1.725 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000459634575 447727229 /nfs/dbraw/zinc/72/72/29/447727229.db2.gz OIZNWHUBEPCKFR-FZKQIMNGSA-N 2 2 344.415 1.223 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@](O)(CO)C1 ZINC000459634575 447727233 /nfs/dbraw/zinc/72/72/33/447727233.db2.gz OIZNWHUBEPCKFR-FZKQIMNGSA-N 2 2 344.415 1.223 20 0 EDADLP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422719311 447727473 /nfs/dbraw/zinc/72/74/73/447727473.db2.gz YKJZZSCCNZPVBO-LPHOPBHVSA-N 3 2 335.492 1.731 20 0 EDADLP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422719311 447727476 /nfs/dbraw/zinc/72/74/76/447727476.db2.gz YKJZZSCCNZPVBO-LPHOPBHVSA-N 3 2 335.492 1.731 20 0 EDADLP COc1ccc(CCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC ZINC000422724723 447729892 /nfs/dbraw/zinc/72/98/92/447729892.db2.gz WLHBWDICRWEZAJ-MOPGFXCFSA-N 2 2 334.460 1.993 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000417272979 447740313 /nfs/dbraw/zinc/74/03/13/447740313.db2.gz VZZIXNPIENOLIH-DOMZBBRYSA-N 2 2 331.395 1.809 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H]3C[NH2+]CC[C@H]3C)c[nH+]2)CC1 ZINC000496270786 447751719 /nfs/dbraw/zinc/75/17/19/447751719.db2.gz DKVJSGFHXGRYII-UKRRQHHQSA-N 2 2 333.436 1.380 20 0 EDADLP c1ccc([C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)N2CCOCC2)cc1 ZINC000422803485 447755307 /nfs/dbraw/zinc/75/53/07/447755307.db2.gz IXPSNTURJAXJTN-UFYCRDLUSA-N 2 2 345.487 1.417 20 0 EDADLP CC1(C)COC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000451832940 447757717 /nfs/dbraw/zinc/75/77/17/447757717.db2.gz YSKYOFBUAPBJEH-HNNXBMFYSA-N 2 2 337.489 1.407 20 0 EDADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+](C2CC2)C1 ZINC000458272888 447758164 /nfs/dbraw/zinc/75/81/64/447758164.db2.gz HNYNYNFZNUJHEY-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+](C2CC2)C1 ZINC000458272888 447758169 /nfs/dbraw/zinc/75/81/69/447758169.db2.gz HNYNYNFZNUJHEY-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+](C2CC2)C1 ZINC000458272888 447758172 /nfs/dbraw/zinc/75/81/72/447758172.db2.gz HNYNYNFZNUJHEY-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+](C2CC2)C1 ZINC000458272888 447758177 /nfs/dbraw/zinc/75/81/77/447758177.db2.gz HNYNYNFZNUJHEY-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422849822 447769666 /nfs/dbraw/zinc/76/96/66/447769666.db2.gz MJWFXWKYSUVPFU-ROUUACIJSA-N 2 2 339.524 1.626 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000422849822 447769671 /nfs/dbraw/zinc/76/96/71/447769671.db2.gz MJWFXWKYSUVPFU-ROUUACIJSA-N 3 2 339.524 1.626 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422935277 447775787 /nfs/dbraw/zinc/77/57/87/447775787.db2.gz HBWBGFCXENCAFW-HOTGVXAUSA-N 2 2 325.478 1.557 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422979892 447786173 /nfs/dbraw/zinc/78/61/73/447786173.db2.gz NUVFLNNSMFKBSN-VBSBHUPXSA-N 3 2 347.503 1.226 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000422979892 447786180 /nfs/dbraw/zinc/78/61/80/447786180.db2.gz NUVFLNNSMFKBSN-VBSBHUPXSA-N 3 2 347.503 1.226 20 0 EDADLP CC(C)(C)OC(=O)NCCC(N)=[NH+]OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000496629272 447836836 /nfs/dbraw/zinc/83/68/36/447836836.db2.gz ZINDTPLHXJYXFV-BETUJISGSA-N 2 2 342.440 1.263 20 0 EDADLP CC(C)(C)OC(=O)NCCC(N)=[NH+]OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000496629272 447836838 /nfs/dbraw/zinc/83/68/38/447836838.db2.gz ZINDTPLHXJYXFV-BETUJISGSA-N 2 2 342.440 1.263 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000487812198 447837118 /nfs/dbraw/zinc/83/71/18/447837118.db2.gz OOZQZBUZBYBYFU-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000487812198 447837120 /nfs/dbraw/zinc/83/71/20/447837120.db2.gz OOZQZBUZBYBYFU-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000488559090 447848771 /nfs/dbraw/zinc/84/87/71/447848771.db2.gz HYKZMLKOCVYDCK-CVEARBPZSA-N 2 2 349.479 1.340 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000479759121 447824182 /nfs/dbraw/zinc/82/41/82/447824182.db2.gz ZFXYTSSDAPMUBJ-XOUADPBQSA-N 2 2 345.443 1.175 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000479759121 447824183 /nfs/dbraw/zinc/82/41/83/447824183.db2.gz ZFXYTSSDAPMUBJ-XOUADPBQSA-N 2 2 345.443 1.175 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000569711546 447873965 /nfs/dbraw/zinc/87/39/65/447873965.db2.gz MEGFJCUTVHERLT-MFKMUULPSA-N 2 2 349.859 1.345 20 0 EDADLP CC[NH+]1CCC(CNC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000576009527 447950796 /nfs/dbraw/zinc/95/07/96/447950796.db2.gz NPORHWSRCFZLQM-UHFFFAOYSA-N 2 2 349.479 1.003 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000524594409 447935710 /nfs/dbraw/zinc/93/57/10/447935710.db2.gz MJNYIVOJFKPTNS-KRWDZBQOSA-N 2 2 327.432 1.025 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000576133482 447981146 /nfs/dbraw/zinc/98/11/46/447981146.db2.gz HYAQRVJXNUNZOA-GOSISDBHSA-N 2 2 348.491 1.667 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H](C)O1 ZINC000553247301 447982364 /nfs/dbraw/zinc/98/23/64/447982364.db2.gz SNNKANQMDIGWOX-QLFBSQMISA-N 2 2 334.464 1.450 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H](C)O1 ZINC000553247301 447982368 /nfs/dbraw/zinc/98/23/68/447982368.db2.gz SNNKANQMDIGWOX-QLFBSQMISA-N 2 2 334.464 1.450 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000570264272 447971383 /nfs/dbraw/zinc/97/13/83/447971383.db2.gz DBNILFJESMERTL-RDJZCZTQSA-N 2 2 328.416 1.653 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000570264272 447971391 /nfs/dbraw/zinc/97/13/91/447971391.db2.gz DBNILFJESMERTL-RDJZCZTQSA-N 2 2 328.416 1.653 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000570497251 448025821 /nfs/dbraw/zinc/02/58/21/448025821.db2.gz DPYHTGANZWPCPU-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000570497251 448025827 /nfs/dbraw/zinc/02/58/27/448025827.db2.gz DPYHTGANZWPCPU-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1c(C[NH+](C)CC(C)C[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000556078424 448104634 /nfs/dbraw/zinc/10/46/34/448104634.db2.gz ZHJRNCMYGRXTEP-UHFFFAOYSA-N 2 2 332.496 1.970 20 0 EDADLP Cc1c(C[NH+](C)CC(C)C[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000556078424 448104640 /nfs/dbraw/zinc/10/46/40/448104640.db2.gz ZHJRNCMYGRXTEP-UHFFFAOYSA-N 2 2 332.496 1.970 20 0 EDADLP [NH3+]C1(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCC1 ZINC000571183941 448120669 /nfs/dbraw/zinc/12/06/69/448120669.db2.gz IUZYEXNKRSRYEQ-CQSZACIVSA-N 2 2 331.464 1.990 20 0 EDADLP Cc1nc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)nc(N(C)C)[nH+]1 ZINC000532014723 448182654 /nfs/dbraw/zinc/18/26/54/448182654.db2.gz MRNBJRGBHWOIRW-LLVKDONJSA-N 2 2 332.477 2.166 20 0 EDADLP Cc1nc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)nc(N(C)C)[nH+]1 ZINC000532014723 448182660 /nfs/dbraw/zinc/18/26/60/448182660.db2.gz MRNBJRGBHWOIRW-LLVKDONJSA-N 2 2 332.477 2.166 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571681949 448190384 /nfs/dbraw/zinc/19/03/84/448190384.db2.gz RJDJSABXXOOZPC-SFHVURJKSA-N 2 2 333.480 1.141 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571681949 448190389 /nfs/dbraw/zinc/19/03/89/448190389.db2.gz RJDJSABXXOOZPC-SFHVURJKSA-N 2 2 333.480 1.141 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CCN(c3[nH+]ccn3C)CC1)CC2 ZINC000577184399 448229881 /nfs/dbraw/zinc/22/98/81/448229881.db2.gz PZNMWLMAPMPNTP-AWEZNQCLSA-N 2 2 342.447 1.273 20 0 EDADLP C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)CS2 ZINC000577143191 448218597 /nfs/dbraw/zinc/21/85/97/448218597.db2.gz WAGFVVWNHOWYKF-CJNGLKHVSA-N 2 2 343.412 1.660 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000572037659 448269557 /nfs/dbraw/zinc/26/95/57/448269557.db2.gz AUUJSVQWRACXTN-ARFHVFGLSA-N 3 2 345.491 1.372 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCCC2 ZINC000582527896 448261576 /nfs/dbraw/zinc/26/15/76/448261576.db2.gz VDASKNOLSKISIF-MDMSPXHWSA-N 2 2 340.508 1.784 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCCC2 ZINC000582527896 448261580 /nfs/dbraw/zinc/26/15/80/448261580.db2.gz VDASKNOLSKISIF-MDMSPXHWSA-N 2 2 340.508 1.784 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000582719561 448320393 /nfs/dbraw/zinc/32/03/93/448320393.db2.gz IGBLIGYINLZTAF-XPKDYRNWSA-N 2 2 337.851 1.802 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C1CCCC1 ZINC000582655934 448301614 /nfs/dbraw/zinc/30/16/14/448301614.db2.gz ALEYFYOXCKAZLC-IAGOWNOFSA-N 2 2 338.496 1.400 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000577709754 448363541 /nfs/dbraw/zinc/36/35/41/448363541.db2.gz CJJXUWWJENGYEO-OAHLLOKOSA-N 2 2 346.410 1.177 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000577709754 448363545 /nfs/dbraw/zinc/36/35/45/448363545.db2.gz CJJXUWWJENGYEO-OAHLLOKOSA-N 2 2 346.410 1.177 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000527830099 448370543 /nfs/dbraw/zinc/37/05/43/448370543.db2.gz YQDGWGBCSPEICN-NVXWUHKLSA-N 2 2 343.475 1.976 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000527830099 448370549 /nfs/dbraw/zinc/37/05/49/448370549.db2.gz YQDGWGBCSPEICN-NVXWUHKLSA-N 2 2 343.475 1.976 20 0 EDADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000572499599 448396670 /nfs/dbraw/zinc/39/66/70/448396670.db2.gz NIFUOGSFKDKLME-SJORKVTESA-N 2 2 339.443 1.629 20 0 EDADLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc2c(c1)OCO2 ZINC000577841212 448398176 /nfs/dbraw/zinc/39/81/76/448398176.db2.gz AOAZDQFMACIZAO-NSHDSACASA-N 2 2 329.404 1.851 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000566193024 448410003 /nfs/dbraw/zinc/41/00/03/448410003.db2.gz TYLFZGATFMXCSZ-HZPDHXFCSA-N 3 2 339.528 1.362 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865753 448426684 /nfs/dbraw/zinc/42/66/84/448426684.db2.gz ZEBQFHHAHHPQIJ-INIZCTEOSA-N 2 2 342.443 1.877 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533865753 448426692 /nfs/dbraw/zinc/42/66/92/448426692.db2.gz ZEBQFHHAHHPQIJ-INIZCTEOSA-N 2 2 342.443 1.877 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]c2ccncc12 ZINC000528135759 448442680 /nfs/dbraw/zinc/44/26/80/448442680.db2.gz YYOOOXLTSLXDPC-SFHVURJKSA-N 2 2 328.416 1.079 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]c2ccncc12 ZINC000528135759 448442683 /nfs/dbraw/zinc/44/26/83/448442683.db2.gz YYOOOXLTSLXDPC-SFHVURJKSA-N 2 2 328.416 1.079 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000534434455 448451743 /nfs/dbraw/zinc/45/17/43/448451743.db2.gz HIZYKDPREVICGM-HUUCEWRRSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000534434455 448451747 /nfs/dbraw/zinc/45/17/47/448451747.db2.gz HIZYKDPREVICGM-HUUCEWRRSA-N 2 2 331.464 1.936 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCC[C@H](C)C1 ZINC000578117345 448463510 /nfs/dbraw/zinc/46/35/10/448463510.db2.gz UUKQWAWVOTUWIV-LUKYLMHMSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCC[C@H](C)C1 ZINC000578117345 448463512 /nfs/dbraw/zinc/46/35/12/448463512.db2.gz UUKQWAWVOTUWIV-LUKYLMHMSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+]1CCC[C@H](C)C1 ZINC000578117345 448463523 /nfs/dbraw/zinc/46/35/23/448463523.db2.gz UUKQWAWVOTUWIV-LUKYLMHMSA-N 2 2 338.496 1.269 20 0 EDADLP Cc1ccccc1[C@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000534717827 448467945 /nfs/dbraw/zinc/46/79/45/448467945.db2.gz SKUPIWXMSKGJKV-SFHVURJKSA-N 2 2 348.491 1.354 20 0 EDADLP COCC[NH+]1CCC(Nc2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000584332123 448484806 /nfs/dbraw/zinc/48/48/06/448484806.db2.gz YANCLQJFCKCFDO-UHFFFAOYSA-N 2 2 329.448 2.219 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000578312652 448512564 /nfs/dbraw/zinc/51/25/64/448512564.db2.gz UVPLSRLUDLDQRF-OAHLLOKOSA-N 2 2 341.415 1.360 20 0 EDADLP CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000584406423 448514950 /nfs/dbraw/zinc/51/49/50/448514950.db2.gz HDWXFWPGGOAELO-CABCVRRESA-N 2 2 331.416 1.626 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)CCN2C1=O ZINC000516981116 448516128 /nfs/dbraw/zinc/51/61/28/448516128.db2.gz JGIICKOXLMRCID-VXGBXAGGSA-N 2 2 329.322 1.329 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)CCN2C1=O ZINC000516981116 448516133 /nfs/dbraw/zinc/51/61/33/448516133.db2.gz JGIICKOXLMRCID-VXGBXAGGSA-N 2 2 329.322 1.329 20 0 EDADLP Cc1ccc(CC[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000517024817 448525296 /nfs/dbraw/zinc/52/52/96/448525296.db2.gz DHAVUBMDHIMHQV-FQEVSTJZSA-N 2 2 325.456 1.941 20 0 EDADLP Cc1ccc(CC[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000517024817 448525303 /nfs/dbraw/zinc/52/53/03/448525303.db2.gz DHAVUBMDHIMHQV-FQEVSTJZSA-N 2 2 325.456 1.941 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000516929516 448501084 /nfs/dbraw/zinc/50/10/84/448501084.db2.gz CNOXOHUHYCUGBH-LBTNJELSSA-N 2 2 332.448 1.454 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000517243883 448562511 /nfs/dbraw/zinc/56/25/11/448562511.db2.gz RDLUSGOBXJAUDP-DLBZAZTESA-N 2 2 330.476 1.455 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000517243883 448562515 /nfs/dbraw/zinc/56/25/15/448562515.db2.gz RDLUSGOBXJAUDP-DLBZAZTESA-N 2 2 330.476 1.455 20 0 EDADLP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000578539922 448575188 /nfs/dbraw/zinc/57/51/88/448575188.db2.gz JHNSNXSTLVRDHO-YOEHRIQHSA-N 2 2 325.884 1.989 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000578539922 448575193 /nfs/dbraw/zinc/57/51/93/448575193.db2.gz JHNSNXSTLVRDHO-YOEHRIQHSA-N 2 2 325.884 1.989 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ccc(C[NH+]3CCN(C)CC3)cc2)n1C ZINC000573087613 448539812 /nfs/dbraw/zinc/53/98/12/448539812.db2.gz ZWDKYYLGQBYTJO-UHFFFAOYSA-N 2 2 342.491 1.846 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ccc(CN3CC[NH+](C)CC3)cc2)n1C ZINC000573087613 448539820 /nfs/dbraw/zinc/53/98/20/448539820.db2.gz ZWDKYYLGQBYTJO-UHFFFAOYSA-N 2 2 342.491 1.846 20 0 EDADLP CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000528624950 448607744 /nfs/dbraw/zinc/60/77/44/448607744.db2.gz NLQMDQQLGRAQQT-INIZCTEOSA-N 2 2 329.404 1.002 20 0 EDADLP CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000528624950 448607746 /nfs/dbraw/zinc/60/77/46/448607746.db2.gz NLQMDQQLGRAQQT-INIZCTEOSA-N 2 2 329.404 1.002 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N(C)[C@@H]2CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000567093817 448611068 /nfs/dbraw/zinc/61/10/68/448611068.db2.gz GZOKIPSAIVNQBC-WMLDXEAASA-N 2 2 332.448 1.905 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)NC[C@@H]1CCC[NH2+]C1 ZINC000578741517 448623312 /nfs/dbraw/zinc/62/33/12/448623312.db2.gz BLNGDRORFXMLLT-OAHLLOKOSA-N 2 2 331.464 1.871 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000517555973 448591556 /nfs/dbraw/zinc/59/15/56/448591556.db2.gz DSSKDBLPKZWOJG-RVKKMQEKSA-N 2 2 329.444 1.795 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000517555973 448591561 /nfs/dbraw/zinc/59/15/61/448591561.db2.gz DSSKDBLPKZWOJG-RVKKMQEKSA-N 2 2 329.444 1.795 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000584664214 448592191 /nfs/dbraw/zinc/59/21/91/448592191.db2.gz ZOXIBKFVJFGTHE-KRWDZBQOSA-N 2 2 347.507 1.839 20 0 EDADLP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000578627547 448597330 /nfs/dbraw/zinc/59/73/30/448597330.db2.gz YPJAJNUQWCQCMA-RDJZCZTQSA-N 2 2 330.476 1.556 20 0 EDADLP Cn1nnc2cc(C[NH+]3CCC(C)([NH+]4CCOCC4)CC3)ccc21 ZINC000528727032 448647641 /nfs/dbraw/zinc/64/76/41/448647641.db2.gz DRTRMJRKRUFYLO-UHFFFAOYSA-N 2 2 329.448 1.655 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000528733489 448651393 /nfs/dbraw/zinc/65/13/93/448651393.db2.gz ILLNQUNVCZZRJZ-FQEVSTJZSA-N 2 2 343.471 1.620 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000528733489 448651397 /nfs/dbraw/zinc/65/13/97/448651397.db2.gz ILLNQUNVCZZRJZ-FQEVSTJZSA-N 2 2 343.471 1.620 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000573550026 448655598 /nfs/dbraw/zinc/65/55/98/448655598.db2.gz DFLWLWZRHKJMGE-BCXHYRKLSA-N 2 2 349.450 1.702 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000584876682 448662417 /nfs/dbraw/zinc/66/24/17/448662417.db2.gz SWBBMBXKGRWBEI-UHFFFAOYSA-N 2 2 338.496 1.271 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(-c3ccccc3)ns2)[C@H](C[NH3+])C1 ZINC000573579311 448664548 /nfs/dbraw/zinc/66/45/48/448664548.db2.gz FKFNEKRIAPJXSM-CYBMUJFWSA-N 2 2 331.445 1.917 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(-c3ccccc3)ns2)[C@H](C[NH3+])C1 ZINC000573579311 448664552 /nfs/dbraw/zinc/66/45/52/448664552.db2.gz FKFNEKRIAPJXSM-CYBMUJFWSA-N 2 2 331.445 1.917 20 0 EDADLP [NH3+]C1CCC(OCC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000573442997 448628253 /nfs/dbraw/zinc/62/82/53/448628253.db2.gz ZRNUUMIXEODYED-UHFFFAOYSA-N 2 2 334.342 1.348 20 0 EDADLP Cn1c2nnc(C[NH+]3CCC(CC[NH3+])CC3)n2c2ccccc2c1=O ZINC000573450987 448631685 /nfs/dbraw/zinc/63/16/85/448631685.db2.gz OACQLAQIZWWZSF-UHFFFAOYSA-N 2 2 340.431 1.142 20 0 EDADLP C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540184970 448632741 /nfs/dbraw/zinc/63/27/41/448632741.db2.gz XLHMUADKDPWKAA-HOCLYGCPSA-N 2 2 337.489 1.202 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000518768153 448707559 /nfs/dbraw/zinc/70/75/59/448707559.db2.gz AYMGNPNUWPHXAL-CQSZACIVSA-N 2 2 338.415 2.104 20 0 EDADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OCC2CC2)c1 ZINC000578980584 448683588 /nfs/dbraw/zinc/68/35/88/448683588.db2.gz MYUTUWNXVOCWGO-QGZVFWFLSA-N 2 2 346.475 1.568 20 0 EDADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OCC2CC2)c1 ZINC000578980584 448683594 /nfs/dbraw/zinc/68/35/94/448683594.db2.gz MYUTUWNXVOCWGO-QGZVFWFLSA-N 2 2 346.475 1.568 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)ccc2[nH+]1 ZINC000567713872 448746618 /nfs/dbraw/zinc/74/66/18/448746618.db2.gz OUABHEQRKMRHRK-UONOGXRCSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@H](C)[N@H+](CCO)C[C@H]3C)ccc2[nH+]1 ZINC000567713872 448746621 /nfs/dbraw/zinc/74/66/21/448746621.db2.gz OUABHEQRKMRHRK-UONOGXRCSA-N 2 2 331.420 1.562 20 0 EDADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000567779357 448760381 /nfs/dbraw/zinc/76/03/81/448760381.db2.gz LPCKAPRSNPRHCX-IXYNUQLISA-N 2 2 332.448 1.309 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000568051549 448807405 /nfs/dbraw/zinc/80/74/05/448807405.db2.gz QGSRBUJYIHYOAV-MRXNPFEDSA-N 2 2 335.477 1.092 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000568078442 448812477 /nfs/dbraw/zinc/81/24/77/448812477.db2.gz RRBFVJBJNJDLKG-OCCSQVGLSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000568078442 448812480 /nfs/dbraw/zinc/81/24/80/448812480.db2.gz RRBFVJBJNJDLKG-OCCSQVGLSA-N 2 2 337.851 1.490 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)ccn12 ZINC000519422599 448769537 /nfs/dbraw/zinc/76/95/37/448769537.db2.gz ZNEMJCAPWAWXFU-OAHLLOKOSA-N 2 2 342.443 1.873 20 0 EDADLP CC(C)[C@@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000579344874 448771742 /nfs/dbraw/zinc/77/17/42/448771742.db2.gz QLRPJIVATIAZIL-ILOCAZANSA-N 2 2 328.497 1.497 20 0 EDADLP CC(C)[C@@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000579344874 448771747 /nfs/dbraw/zinc/77/17/47/448771747.db2.gz QLRPJIVATIAZIL-ILOCAZANSA-N 2 2 328.497 1.497 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000519592329 448793284 /nfs/dbraw/zinc/79/32/84/448793284.db2.gz JTJAGNDQJMBBJS-AEFFLSMTSA-N 2 2 346.475 1.283 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000519592329 448793289 /nfs/dbraw/zinc/79/32/89/448793289.db2.gz JTJAGNDQJMBBJS-AEFFLSMTSA-N 2 2 346.475 1.283 20 0 EDADLP CC(C)[C@@H](CO)[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000574130329 448795353 /nfs/dbraw/zinc/79/53/53/448795353.db2.gz NRDKDBPRUSTCJN-CWQOZTLDSA-N 2 2 330.513 1.335 20 0 EDADLP CC(C)[C@@H](CO)[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000574130329 448795359 /nfs/dbraw/zinc/79/53/59/448795359.db2.gz NRDKDBPRUSTCJN-CWQOZTLDSA-N 2 2 330.513 1.335 20 0 EDADLP C[N@@H+]1CCCC12CCN(C(=O)c1ccc(-n3cc[nH+]c3)nn1)CC2 ZINC000545561350 448799804 /nfs/dbraw/zinc/79/98/04/448799804.db2.gz PBBTUKMZKNGFQC-UHFFFAOYSA-N 2 2 326.404 1.363 20 0 EDADLP C[N@H+]1CCCC12CCN(C(=O)c1ccc(-n3cc[nH+]c3)nn1)CC2 ZINC000545561350 448799808 /nfs/dbraw/zinc/79/98/08/448799808.db2.gz PBBTUKMZKNGFQC-UHFFFAOYSA-N 2 2 326.404 1.363 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000588642686 448905694 /nfs/dbraw/zinc/90/56/94/448905694.db2.gz OGPWOQVMWWLOKM-KRWDZBQOSA-N 2 2 342.443 1.590 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000588642686 448905696 /nfs/dbraw/zinc/90/56/96/448905696.db2.gz OGPWOQVMWWLOKM-KRWDZBQOSA-N 2 2 342.443 1.590 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547679787 448914653 /nfs/dbraw/zinc/91/46/53/448914653.db2.gz BXRCNUYLFNLLRD-KRWDZBQOSA-N 2 2 341.459 1.971 20 0 EDADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000579946860 448917002 /nfs/dbraw/zinc/91/70/02/448917002.db2.gz COKHPRNKLOXDSY-HKUYNNGSSA-N 3 2 348.535 1.314 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@]2(COC)COc3ccccc3C2)CC1 ZINC000529667703 448919862 /nfs/dbraw/zinc/91/98/62/448919862.db2.gz CJXQHPCNWWIDPT-IBGZPJMESA-N 2 2 334.460 1.707 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010478 448966083 /nfs/dbraw/zinc/96/60/83/448966083.db2.gz PEGXXLWYOCQUCW-AWEZNQCLSA-N 2 2 340.493 1.338 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010478 448966087 /nfs/dbraw/zinc/96/60/87/448966087.db2.gz PEGXXLWYOCQUCW-AWEZNQCLSA-N 2 2 340.493 1.338 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000575011859 449013952 /nfs/dbraw/zinc/01/39/52/449013952.db2.gz QTTIEXCNFYKTCR-DOTOQJQBSA-N 2 2 332.448 1.230 20 0 EDADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)CCOC)s1 ZINC000575076007 449030217 /nfs/dbraw/zinc/03/02/17/449030217.db2.gz VYUIUSLWYINXOS-ZIAGYGMSSA-N 2 2 329.510 1.946 20 0 EDADLP CCc1nc(C)c([C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)CCOC)s1 ZINC000575076007 449030223 /nfs/dbraw/zinc/03/02/23/449030223.db2.gz VYUIUSLWYINXOS-ZIAGYGMSSA-N 2 2 329.510 1.946 20 0 EDADLP CCc1nc(C)c([C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)CCOC)s1 ZINC000575076007 449030228 /nfs/dbraw/zinc/03/02/28/449030228.db2.gz VYUIUSLWYINXOS-ZIAGYGMSSA-N 2 2 329.510 1.946 20 0 EDADLP COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000589208408 448988322 /nfs/dbraw/zinc/98/83/22/448988322.db2.gz GYLLYNIBFLXOMB-MRXNPFEDSA-N 2 2 330.388 1.340 20 0 EDADLP COC(=O)C[C@@H]1COCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000589208408 448988323 /nfs/dbraw/zinc/98/83/23/448988323.db2.gz GYLLYNIBFLXOMB-MRXNPFEDSA-N 2 2 330.388 1.340 20 0 EDADLP CC[NH2+]CCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000569572777 449047087 /nfs/dbraw/zinc/04/70/87/449047087.db2.gz BEMWRYAHPRINFN-UHFFFAOYSA-N 2 2 343.431 1.641 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCC(=O)OC(C)C)c2cc1C ZINC000575174506 449053581 /nfs/dbraw/zinc/05/35/81/449053581.db2.gz HMLDBUAOABVHRM-OAHLLOKOSA-N 2 2 333.432 1.945 20 0 EDADLP C[N@@H+]1CC[C@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000522235290 449065025 /nfs/dbraw/zinc/06/50/25/449065025.db2.gz RNEGXMZOTDVAHE-INIZCTEOSA-N 2 2 328.416 1.988 20 0 EDADLP C[N@H+]1CC[C@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000522235290 449065031 /nfs/dbraw/zinc/06/50/31/449065031.db2.gz RNEGXMZOTDVAHE-INIZCTEOSA-N 2 2 328.416 1.988 20 0 EDADLP CCOC(=O)C1(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC000601806842 449162950 /nfs/dbraw/zinc/16/29/50/449162950.db2.gz QOMXSSBHQZDOSB-UHFFFAOYSA-N 2 2 332.404 1.115 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc([S@@](C)=O)c1 ZINC000597989333 449173782 /nfs/dbraw/zinc/17/37/82/449173782.db2.gz DJFCEWISWBMLBE-JOCHJYFZSA-N 2 2 325.478 1.037 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc([S@@](C)=O)c1 ZINC000597989333 449173785 /nfs/dbraw/zinc/17/37/85/449173785.db2.gz DJFCEWISWBMLBE-JOCHJYFZSA-N 2 2 325.478 1.037 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(F)c1 ZINC000611151826 449189138 /nfs/dbraw/zinc/18/91/38/449189138.db2.gz OHVIPYMJCJEGHG-QGZVFWFLSA-N 2 2 349.450 1.824 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(F)c1 ZINC000611151826 449189146 /nfs/dbraw/zinc/18/91/46/449189146.db2.gz OHVIPYMJCJEGHG-QGZVFWFLSA-N 2 2 349.450 1.824 20 0 EDADLP CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595890063 449235062 /nfs/dbraw/zinc/23/50/62/449235062.db2.gz BGIOQPXNFPEBCY-INIZCTEOSA-N 2 2 336.407 1.712 20 0 EDADLP CCOC(=O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595890063 449235064 /nfs/dbraw/zinc/23/50/64/449235064.db2.gz BGIOQPXNFPEBCY-INIZCTEOSA-N 2 2 336.407 1.712 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC4CC3(C[NH3+])C4)cn2c1 ZINC000595966107 449287673 /nfs/dbraw/zinc/28/76/73/449287673.db2.gz MLXQENYDNJTPFE-UHFFFAOYSA-N 2 2 330.457 1.826 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000596099417 449360776 /nfs/dbraw/zinc/36/07/76/449360776.db2.gz VRYROTUKFGHWKV-UHFFFAOYSA-N 2 2 347.459 1.736 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000611974548 449499301 /nfs/dbraw/zinc/49/93/01/449499301.db2.gz LXGMEONHFYJHEQ-AWEZNQCLSA-N 2 2 340.464 1.722 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000611974548 449499304 /nfs/dbraw/zinc/49/93/04/449499304.db2.gz LXGMEONHFYJHEQ-AWEZNQCLSA-N 2 2 340.464 1.722 20 0 EDADLP C[S@@](=O)C1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[NH2+]CC1 ZINC000602470678 449616769 /nfs/dbraw/zinc/61/67/69/449616769.db2.gz CBUYDVPKBKVOEL-HSZRJFAPSA-N 2 2 332.429 1.312 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000600964674 449618085 /nfs/dbraw/zinc/61/80/85/449618085.db2.gz QODSPLJPPLSRSJ-UHFFFAOYSA-N 2 2 342.443 1.926 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000600964677 449618136 /nfs/dbraw/zinc/61/81/36/449618136.db2.gz QRXSMVKQASVUAI-GOSISDBHSA-N 2 2 331.460 1.984 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000600964677 449618144 /nfs/dbraw/zinc/61/81/44/449618144.db2.gz QRXSMVKQASVUAI-GOSISDBHSA-N 2 2 331.460 1.984 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]c1C ZINC000602480613 449623748 /nfs/dbraw/zinc/62/37/48/449623748.db2.gz HLPIKRZPXSHKAE-KBXCAEBGSA-N 2 2 348.491 1.568 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]c1C ZINC000602480613 449623752 /nfs/dbraw/zinc/62/37/52/449623752.db2.gz HLPIKRZPXSHKAE-KBXCAEBGSA-N 2 2 348.491 1.568 20 0 EDADLP C[NH+]1CCC(CNC(=O)C2(C)CCOCC2)([NH+]2CCCCC2)CC1 ZINC000607876298 449652783 /nfs/dbraw/zinc/65/27/83/449652783.db2.gz WRPHIHDWNNWSDQ-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP COC(=O)c1csc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000596796620 449656006 /nfs/dbraw/zinc/65/60/06/449656006.db2.gz MBXNZXXWCWFTFI-UHFFFAOYSA-N 2 2 342.465 1.540 20 0 EDADLP COC(=O)c1csc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000596796620 449656011 /nfs/dbraw/zinc/65/60/11/449656011.db2.gz MBXNZXXWCWFTFI-UHFFFAOYSA-N 2 2 342.465 1.540 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)no2)[C@@H](C)C1 ZINC000602544575 449665178 /nfs/dbraw/zinc/66/51/78/449665178.db2.gz HKFVKIFXIVZMHU-ZFWWWQNUSA-N 2 2 339.436 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)no2)[C@@H](C)C1 ZINC000602544575 449665184 /nfs/dbraw/zinc/66/51/84/449665184.db2.gz HKFVKIFXIVZMHU-ZFWWWQNUSA-N 2 2 339.436 1.688 20 0 EDADLP COC(=O)c1cc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000602654337 449731914 /nfs/dbraw/zinc/73/19/14/449731914.db2.gz AIMVYKKTEBOISD-AWEZNQCLSA-N 2 2 336.436 1.062 20 0 EDADLP COC(=O)c1cc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000602654337 449731921 /nfs/dbraw/zinc/73/19/21/449731921.db2.gz AIMVYKKTEBOISD-AWEZNQCLSA-N 2 2 336.436 1.062 20 0 EDADLP COC(=O)c1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000602654337 449731924 /nfs/dbraw/zinc/73/19/24/449731924.db2.gz AIMVYKKTEBOISD-AWEZNQCLSA-N 2 2 336.436 1.062 20 0 EDADLP COC(=O)c1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000602654337 449731930 /nfs/dbraw/zinc/73/19/30/449731930.db2.gz AIMVYKKTEBOISD-AWEZNQCLSA-N 2 2 336.436 1.062 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCSc3cccc(Cl)c3)CCN2C1=O ZINC000594876194 449789840 /nfs/dbraw/zinc/78/98/40/449789840.db2.gz IJMXEWOSBBYWGM-JSGCOSHPSA-N 2 2 325.865 1.676 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCSc3cccc(Cl)c3)CCN2C1=O ZINC000594876194 449789848 /nfs/dbraw/zinc/78/98/48/449789848.db2.gz IJMXEWOSBBYWGM-JSGCOSHPSA-N 2 2 325.865 1.676 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1 ZINC000614663149 449747532 /nfs/dbraw/zinc/74/75/32/449747532.db2.gz MLHSTZFFYJPJQF-HUUCEWRRSA-N 2 2 335.452 1.272 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1 ZINC000614663149 449747537 /nfs/dbraw/zinc/74/75/37/449747537.db2.gz MLHSTZFFYJPJQF-HUUCEWRRSA-N 2 2 335.452 1.272 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614663149 449747544 /nfs/dbraw/zinc/74/75/44/449747544.db2.gz MLHSTZFFYJPJQF-HUUCEWRRSA-N 2 2 335.452 1.272 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614663149 449747550 /nfs/dbraw/zinc/74/75/50/449747550.db2.gz MLHSTZFFYJPJQF-HUUCEWRRSA-N 2 2 335.452 1.272 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000601206696 449750849 /nfs/dbraw/zinc/75/08/49/449750849.db2.gz QPMWDJRTSGPOHX-UHFFFAOYSA-N 2 2 345.451 1.017 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)CC1 ZINC000597004074 449758811 /nfs/dbraw/zinc/75/88/11/449758811.db2.gz VULWIYVHCAFOSO-GOSISDBHSA-N 3 2 340.475 1.479 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)CC1 ZINC000597004074 449758819 /nfs/dbraw/zinc/75/88/19/449758819.db2.gz VULWIYVHCAFOSO-GOSISDBHSA-N 3 2 340.475 1.479 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(C4CCC4)nn3)C2)CC1 ZINC000597027354 449773706 /nfs/dbraw/zinc/77/37/06/449773706.db2.gz VBIOJRZCICEICF-GOSISDBHSA-N 2 2 332.496 1.603 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(C4CCC4)nn3)C2)CC1 ZINC000597027354 449773711 /nfs/dbraw/zinc/77/37/11/449773711.db2.gz VBIOJRZCICEICF-GOSISDBHSA-N 2 2 332.496 1.603 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(CC4CC4)no3)C2)CC1 ZINC000602787628 449809192 /nfs/dbraw/zinc/80/91/92/449809192.db2.gz VIKAAHSPMQXBOW-MRXNPFEDSA-N 2 2 333.480 1.622 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(CC4CC4)no3)C2)CC1 ZINC000602787628 449809200 /nfs/dbraw/zinc/80/92/00/449809200.db2.gz VIKAAHSPMQXBOW-MRXNPFEDSA-N 2 2 333.480 1.622 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000601311802 449821162 /nfs/dbraw/zinc/82/11/62/449821162.db2.gz SMYHZUQDDVLOJO-HNNXBMFYSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000601311802 449821166 /nfs/dbraw/zinc/82/11/66/449821166.db2.gz SMYHZUQDDVLOJO-HNNXBMFYSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1oc(Br)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763198 449822981 /nfs/dbraw/zinc/82/29/81/449822981.db2.gz IXISYCGLSHLOJS-UHFFFAOYSA-N 2 2 346.269 1.964 20 0 EDADLP Cc1oc(Br)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763198 449822986 /nfs/dbraw/zinc/82/29/86/449822986.db2.gz IXISYCGLSHLOJS-UHFFFAOYSA-N 2 2 346.269 1.964 20 0 EDADLP CC(C)[C@H]1C[C@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000617764821 449823915 /nfs/dbraw/zinc/82/39/15/449823915.db2.gz IEBVFYJJFJRXOC-IAGOWNOFSA-N 2 2 327.513 1.827 20 0 EDADLP CC(C)[C@H]1C[C@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000617764821 449823920 /nfs/dbraw/zinc/82/39/20/449823920.db2.gz IEBVFYJJFJRXOC-IAGOWNOFSA-N 2 2 327.513 1.827 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000617764416 449825231 /nfs/dbraw/zinc/82/52/31/449825231.db2.gz WJDMJAHZNGJZCI-UHFFFAOYSA-N 2 2 344.459 1.001 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000617764416 449825236 /nfs/dbraw/zinc/82/52/36/449825236.db2.gz WJDMJAHZNGJZCI-UHFFFAOYSA-N 2 2 344.459 1.001 20 0 EDADLP CO[C@@H](C)c1nc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000617765832 449827102 /nfs/dbraw/zinc/82/71/02/449827102.db2.gz RUDLKMJVGISCRO-ZDUSSCGKSA-N 2 2 342.509 1.772 20 0 EDADLP CO[C@@H](C)c1nc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617765832 449827104 /nfs/dbraw/zinc/82/71/04/449827104.db2.gz RUDLKMJVGISCRO-ZDUSSCGKSA-N 2 2 342.509 1.772 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cc(F)ccc1F ZINC000617767253 449830560 /nfs/dbraw/zinc/83/05/60/449830560.db2.gz MNVYUAOLMOQUPI-UHFFFAOYSA-N 2 2 327.419 1.897 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cc(F)ccc1F ZINC000617767253 449830564 /nfs/dbraw/zinc/83/05/64/449830564.db2.gz MNVYUAOLMOQUPI-UHFFFAOYSA-N 2 2 327.419 1.897 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccn(-c2ccccc2F)n1 ZINC000617767109 449831167 /nfs/dbraw/zinc/83/11/67/449831167.db2.gz HGRBHIOKOIQEEV-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccn(-c2ccccc2F)n1 ZINC000617767109 449831172 /nfs/dbraw/zinc/83/11/72/449831172.db2.gz HGRBHIOKOIQEEV-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP COc1ccc(-c2cc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)on2)cc1 ZINC000594876419 449790333 /nfs/dbraw/zinc/79/03/33/449790333.db2.gz YMRAWRREXKZJQL-CZUORRHYSA-N 2 2 342.399 1.094 20 0 EDADLP COc1ccc(-c2cc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)on2)cc1 ZINC000594876419 449790339 /nfs/dbraw/zinc/79/03/39/449790339.db2.gz YMRAWRREXKZJQL-CZUORRHYSA-N 2 2 342.399 1.094 20 0 EDADLP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)[N@@H+]1CCO[C@H](CC)C1 ZINC000614963563 449895901 /nfs/dbraw/zinc/89/59/01/449895901.db2.gz OQOLOHZQAREPJX-SJORKVTESA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)[N@H+]1CCO[C@H](CC)C1 ZINC000614963563 449895906 /nfs/dbraw/zinc/89/59/06/449895906.db2.gz OQOLOHZQAREPJX-SJORKVTESA-N 2 2 337.508 1.820 20 0 EDADLP C[C@]1(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC[NH2+]C1 ZINC000612861898 449913820 /nfs/dbraw/zinc/91/38/20/449913820.db2.gz GSPMNWLUPGHIKT-WMZOPIPTSA-N 2 2 332.448 1.111 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)c1c(F)cccc1F ZINC000612880989 449923987 /nfs/dbraw/zinc/92/39/87/449923987.db2.gz LRPDBBZWJSWQPP-XJKSGUPXSA-N 2 2 326.391 1.619 20 0 EDADLP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000612963993 449960087 /nfs/dbraw/zinc/96/00/87/449960087.db2.gz NWPYIZFSFBSQSX-INIZCTEOSA-N 2 2 329.448 1.051 20 0 EDADLP CCC1([NH+](C)C)CC[NH+]([C@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000602966569 449968511 /nfs/dbraw/zinc/96/85/11/449968511.db2.gz KAHSXRCTFIMTGU-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000599557778 450058024 /nfs/dbraw/zinc/05/80/24/450058024.db2.gz BQSZHCKGOIRWDB-LJQANCHMSA-N 2 2 348.443 1.283 20 0 EDADLP COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000599557778 450058029 /nfs/dbraw/zinc/05/80/29/450058029.db2.gz BQSZHCKGOIRWDB-LJQANCHMSA-N 2 2 348.443 1.283 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615543497 450133539 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345.443 1.730 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000623305852 450490882 /nfs/dbraw/zinc/49/08/82/450490882.db2.gz AWZRSVJQIOZSKW-WMZOPIPTSA-N 2 2 340.427 1.215 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000623305852 450490886 /nfs/dbraw/zinc/49/08/86/450490886.db2.gz AWZRSVJQIOZSKW-WMZOPIPTSA-N 2 2 340.427 1.215 20 0 EDADLP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623307882 450492099 /nfs/dbraw/zinc/49/20/99/450492099.db2.gz PWQVCWATMDATKU-OAHLLOKOSA-N 2 2 332.448 1.349 20 0 EDADLP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1(C)C ZINC000623556811 450542738 /nfs/dbraw/zinc/54/27/38/450542738.db2.gz ZZWVHTXYLRHVHU-KGLIPLIRSA-N 2 2 338.473 1.684 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)CC2 ZINC000625978653 450548012 /nfs/dbraw/zinc/54/80/12/450548012.db2.gz WSOSLSBOJUBUQK-HNNXBMFYSA-N 2 2 327.432 2.076 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)CC2 ZINC000625993008 450550531 /nfs/dbraw/zinc/55/05/31/450550531.db2.gz BDKZBIKDNVWDNV-INIZCTEOSA-N 2 2 348.491 1.713 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)C1CCCCC1 ZINC000623614095 450551074 /nfs/dbraw/zinc/55/10/74/450551074.db2.gz NDSGRKZEWRRWCW-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)C1CCCCC1 ZINC000623614095 450551076 /nfs/dbraw/zinc/55/10/76/450551076.db2.gz NDSGRKZEWRRWCW-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc(Br)s1 ZINC000623619102 450552967 /nfs/dbraw/zinc/55/29/67/450552967.db2.gz RUYZGBMISFTLSB-VIFPVBQESA-N 2 2 347.282 1.335 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc(Br)s1 ZINC000623619102 450552969 /nfs/dbraw/zinc/55/29/69/450552969.db2.gz RUYZGBMISFTLSB-VIFPVBQESA-N 2 2 347.282 1.335 20 0 EDADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000623657713 450561699 /nfs/dbraw/zinc/56/16/99/450561699.db2.gz XGKLIPUAYQGQSY-LBPRGKRZSA-N 2 2 329.441 1.295 20 0 EDADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000623657713 450561700 /nfs/dbraw/zinc/56/17/00/450561700.db2.gz XGKLIPUAYQGQSY-LBPRGKRZSA-N 2 2 329.441 1.295 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623858313 450616761 /nfs/dbraw/zinc/61/67/61/450616761.db2.gz IIQHDXOLZXUFME-OAHLLOKOSA-N 2 2 338.459 2.320 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@@H](C)O1 ZINC000631530182 450637163 /nfs/dbraw/zinc/63/71/63/450637163.db2.gz NTTMXHQBFWFXRF-BRWVUGGUSA-N 2 2 337.508 1.866 20 0 EDADLP COc1cccnc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000631530741 450639405 /nfs/dbraw/zinc/63/94/05/450639405.db2.gz VUGSCEUWWKDLOG-UHFFFAOYSA-N 2 2 346.475 1.770 20 0 EDADLP COCC[N@@H+]1CCC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000623951183 450649350 /nfs/dbraw/zinc/64/93/50/450649350.db2.gz CFVQPBNCCLIABT-AWEZNQCLSA-N 2 2 325.416 2.405 20 0 EDADLP COCC[N@H+]1CCC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000623951183 450649353 /nfs/dbraw/zinc/64/93/53/450649353.db2.gz CFVQPBNCCLIABT-AWEZNQCLSA-N 2 2 325.416 2.405 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)cn2)CC1 ZINC000635182582 450726141 /nfs/dbraw/zinc/72/61/41/450726141.db2.gz DVIHAXRVFBWHRN-KRWDZBQOSA-N 2 2 343.475 1.789 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)cn2)CC1 ZINC000635182582 450726147 /nfs/dbraw/zinc/72/61/47/450726147.db2.gz DVIHAXRVFBWHRN-KRWDZBQOSA-N 2 2 343.475 1.789 20 0 EDADLP O[C@@H](CNCc1[nH+]ccn1CCc1ccccc1)C[NH+]1CCCC1 ZINC000629569503 450741430 /nfs/dbraw/zinc/74/14/30/450741430.db2.gz XLBABRUFMLVKKH-SFHVURJKSA-N 2 2 328.460 1.672 20 0 EDADLP C[N@H+](CCOCC[NH3+])Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000629576804 450743922 /nfs/dbraw/zinc/74/39/22/450743922.db2.gz CZESGDQGNQLFNZ-UHFFFAOYSA-N 2 2 334.445 1.316 20 0 EDADLP C[N@@H+](CCOCC[NH3+])Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000629576804 450743926 /nfs/dbraw/zinc/74/39/26/450743926.db2.gz CZESGDQGNQLFNZ-UHFFFAOYSA-N 2 2 334.445 1.316 20 0 EDADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000624227067 450755467 /nfs/dbraw/zinc/75/54/67/450755467.db2.gz FYXGRHIORZJTPO-OAHLLOKOSA-N 2 2 325.403 1.590 20 0 EDADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000624227067 450755469 /nfs/dbraw/zinc/75/54/69/450755469.db2.gz FYXGRHIORZJTPO-OAHLLOKOSA-N 2 2 325.403 1.590 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635223361 450765064 /nfs/dbraw/zinc/76/50/64/450765064.db2.gz UUDKXFRBDSUTTR-QGZVFWFLSA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635223361 450765070 /nfs/dbraw/zinc/76/50/70/450765070.db2.gz UUDKXFRBDSUTTR-QGZVFWFLSA-N 2 2 344.459 1.551 20 0 EDADLP COc1ccc(OC(F)F)c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000629652561 450770724 /nfs/dbraw/zinc/77/07/24/450770724.db2.gz HEPKARSZRHWSBW-UHFFFAOYSA-N 2 2 340.330 1.541 20 0 EDADLP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1[nH+]ccn1C ZINC000624388599 450825943 /nfs/dbraw/zinc/82/59/43/450825943.db2.gz BHGJDXCRMBODOD-CQSZACIVSA-N 2 2 335.452 1.377 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nc2ccccc2n2c[nH+]cc12 ZINC000624392681 450828544 /nfs/dbraw/zinc/82/85/44/450828544.db2.gz XCUHYDHBFQIBHQ-KGLIPLIRSA-N 2 2 325.416 2.404 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nc2ccccc2n2c[nH+]cc12 ZINC000624392681 450828548 /nfs/dbraw/zinc/82/85/48/450828548.db2.gz XCUHYDHBFQIBHQ-KGLIPLIRSA-N 2 2 325.416 2.404 20 0 EDADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000631863617 450833374 /nfs/dbraw/zinc/83/33/74/450833374.db2.gz BSIODLJNXILSSU-JKSUJKDBSA-N 2 2 347.503 1.861 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887149 450849138 /nfs/dbraw/zinc/84/91/38/450849138.db2.gz MICVRZQWUPRHRW-YOEHRIQHSA-N 2 2 338.473 1.543 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887149 450849143 /nfs/dbraw/zinc/84/91/43/450849143.db2.gz MICVRZQWUPRHRW-YOEHRIQHSA-N 2 2 338.473 1.543 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631890559 450851735 /nfs/dbraw/zinc/85/17/35/450851735.db2.gz QLSKPGJFDKLSAN-YJBOKZPZSA-N 2 2 349.500 1.701 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631890559 450851737 /nfs/dbraw/zinc/85/17/37/450851737.db2.gz QLSKPGJFDKLSAN-YJBOKZPZSA-N 2 2 349.500 1.701 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c2ccccc21 ZINC000621762715 450860115 /nfs/dbraw/zinc/86/01/15/450860115.db2.gz JJRVIKFEMZUSNG-FUHWJXTLSA-N 2 2 331.460 1.921 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000621762715 450860119 /nfs/dbraw/zinc/86/01/19/450860119.db2.gz JJRVIKFEMZUSNG-FUHWJXTLSA-N 2 2 331.460 1.921 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000635382554 450894667 /nfs/dbraw/zinc/89/46/67/450894667.db2.gz KKCZVTQVCXPEHB-MSOLQXFVSA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000635382554 450894673 /nfs/dbraw/zinc/89/46/73/450894673.db2.gz KKCZVTQVCXPEHB-MSOLQXFVSA-N 2 2 331.460 1.726 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[NH+]2CCOCC2)cc1 ZINC000635392630 450900095 /nfs/dbraw/zinc/90/00/95/450900095.db2.gz NSVOQAAREGIFDN-HKUYNNGSSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[NH+]2CCOCC2)cc1 ZINC000635392630 450900100 /nfs/dbraw/zinc/90/01/00/450900100.db2.gz NSVOQAAREGIFDN-HKUYNNGSSA-N 2 2 345.487 1.826 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000624703295 450955351 /nfs/dbraw/zinc/95/53/51/450955351.db2.gz OZUQLFNMRILEDL-UHFFFAOYSA-N 2 2 330.436 1.445 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000624702901 450955424 /nfs/dbraw/zinc/95/54/24/450955424.db2.gz JDRWVLCIDSOFGQ-UHFFFAOYSA-N 2 2 325.844 1.793 20 0 EDADLP COCCOCC[N@H+](C)CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000635456425 450956961 /nfs/dbraw/zinc/95/69/61/450956961.db2.gz QHEZDLZWHIBUPV-HNNXBMFYSA-N 2 2 338.452 1.448 20 0 EDADLP COCCOCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000635456425 450956968 /nfs/dbraw/zinc/95/69/68/450956968.db2.gz QHEZDLZWHIBUPV-HNNXBMFYSA-N 2 2 338.452 1.448 20 0 EDADLP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2COCC[NH+]2C)c1 ZINC000624741061 450977627 /nfs/dbraw/zinc/97/76/27/450977627.db2.gz SYAHUTYVQHXTHY-QGZVFWFLSA-N 2 2 334.464 1.268 20 0 EDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2COCC[NH+]2C)c1 ZINC000624741061 450977632 /nfs/dbraw/zinc/97/76/32/450977632.db2.gz SYAHUTYVQHXTHY-QGZVFWFLSA-N 2 2 334.464 1.268 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000624741061 450977635 /nfs/dbraw/zinc/97/76/35/450977635.db2.gz SYAHUTYVQHXTHY-QGZVFWFLSA-N 2 2 334.464 1.268 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000624741061 450977643 /nfs/dbraw/zinc/97/76/43/450977643.db2.gz SYAHUTYVQHXTHY-QGZVFWFLSA-N 2 2 334.464 1.268 20 0 EDADLP CC(C)C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)n1cc[nH+]c1 ZINC000635489896 450986517 /nfs/dbraw/zinc/98/65/17/450986517.db2.gz ZKAVJUKHKQGQBY-CVEARBPZSA-N 2 2 349.479 1.174 20 0 EDADLP CC(C)C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)n1cc[nH+]c1 ZINC000635489896 450986520 /nfs/dbraw/zinc/98/65/20/450986520.db2.gz ZKAVJUKHKQGQBY-CVEARBPZSA-N 2 2 349.479 1.174 20 0 EDADLP C[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000632099876 451036478 /nfs/dbraw/zinc/03/64/78/451036478.db2.gz QAIOOTPTZOSCBV-JKSUJKDBSA-N 2 2 340.493 1.582 20 0 EDADLP CN(C(=O)Cc1nnc[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000632101172 451036925 /nfs/dbraw/zinc/03/69/25/451036925.db2.gz QOYCTMVAYSVZDO-JKSUJKDBSA-N 2 2 348.495 1.143 20 0 EDADLP CN(C(=O)Cc1nnc[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000632101172 451036929 /nfs/dbraw/zinc/03/69/29/451036929.db2.gz QOYCTMVAYSVZDO-JKSUJKDBSA-N 2 2 348.495 1.143 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000633699544 450993261 /nfs/dbraw/zinc/99/32/61/450993261.db2.gz VULGMRXVHADORM-IBGZPJMESA-N 2 2 342.443 1.356 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000633699544 450993262 /nfs/dbraw/zinc/99/32/62/450993262.db2.gz VULGMRXVHADORM-IBGZPJMESA-N 2 2 342.443 1.356 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635499341 450993367 /nfs/dbraw/zinc/99/33/67/450993367.db2.gz ZBDYXFGSTHQUHU-UHFFFAOYSA-N 2 2 328.416 1.992 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000635561215 451059424 /nfs/dbraw/zinc/05/94/24/451059424.db2.gz PYTDFGAITXTSGZ-INIZCTEOSA-N 2 2 335.496 1.396 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000635561215 451059426 /nfs/dbraw/zinc/05/94/26/451059426.db2.gz PYTDFGAITXTSGZ-INIZCTEOSA-N 2 2 335.496 1.396 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627006856 451071791 /nfs/dbraw/zinc/07/17/91/451071791.db2.gz MYAJKJFAQFNTBD-ZWMNYZCKSA-N 2 2 338.402 1.760 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627006856 451071795 /nfs/dbraw/zinc/07/17/95/451071795.db2.gz MYAJKJFAQFNTBD-ZWMNYZCKSA-N 2 2 338.402 1.760 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)[NH+]1CCSCC1 ZINC000633895807 451079160 /nfs/dbraw/zinc/07/91/60/451079160.db2.gz ABZDXVCUBVJGDF-HNNXBMFYSA-N 2 2 349.500 1.474 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897621 451081955 /nfs/dbraw/zinc/08/19/55/451081955.db2.gz FAIVZUVMYMOJSM-SFHVURJKSA-N 2 2 329.444 1.663 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897621 451081960 /nfs/dbraw/zinc/08/19/60/451081960.db2.gz FAIVZUVMYMOJSM-SFHVURJKSA-N 2 2 329.444 1.663 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000628015967 451088208 /nfs/dbraw/zinc/08/82/08/451088208.db2.gz NYQQUVOOOGQZGR-JONQDZQNSA-N 2 2 334.464 1.368 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000628015967 451088214 /nfs/dbraw/zinc/08/82/14/451088214.db2.gz NYQQUVOOOGQZGR-JONQDZQNSA-N 2 2 334.464 1.368 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@@H](C)CO1 ZINC000628061416 451113111 /nfs/dbraw/zinc/11/31/11/451113111.db2.gz IKDFHNAKFGAOTJ-OGWHTMIXSA-N 2 2 345.487 1.557 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@@H](C)CO1 ZINC000628061416 451113116 /nfs/dbraw/zinc/11/31/16/451113116.db2.gz IKDFHNAKFGAOTJ-OGWHTMIXSA-N 2 2 345.487 1.557 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@@H](C)CO1 ZINC000628061416 451113119 /nfs/dbraw/zinc/11/31/19/451113119.db2.gz IKDFHNAKFGAOTJ-OGWHTMIXSA-N 2 2 345.487 1.557 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@@H](C)CO1 ZINC000628061416 451113125 /nfs/dbraw/zinc/11/31/25/451113125.db2.gz IKDFHNAKFGAOTJ-OGWHTMIXSA-N 2 2 345.487 1.557 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(OC(C)(C)C)n1 ZINC000628062516 451114205 /nfs/dbraw/zinc/11/42/05/451114205.db2.gz INBURWOVVPRLCL-UHFFFAOYSA-N 2 2 336.480 1.872 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(OC(C)(C)C)n1 ZINC000628062516 451114212 /nfs/dbraw/zinc/11/42/12/451114212.db2.gz INBURWOVVPRLCL-UHFFFAOYSA-N 2 2 336.480 1.872 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000627087664 451118314 /nfs/dbraw/zinc/11/83/14/451118314.db2.gz LQSRBTCUDUSWBH-TZMCWYRMSA-N 2 2 334.468 1.618 20 0 EDADLP CN(C)[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1c[nH+]cn1C ZINC000633945521 451120070 /nfs/dbraw/zinc/12/00/70/451120070.db2.gz OAPWHONPXLFAQL-INIZCTEOSA-N 2 2 333.480 1.500 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCOCC3)C2)cc1 ZINC000630407398 451170325 /nfs/dbraw/zinc/17/03/25/451170325.db2.gz IBMNMIKIIPROFT-GOSISDBHSA-N 2 2 346.475 1.201 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCC[NH+]3CCOCC3)C2)cc1 ZINC000630407398 451170330 /nfs/dbraw/zinc/17/03/30/451170330.db2.gz IBMNMIKIIPROFT-GOSISDBHSA-N 2 2 346.475 1.201 20 0 EDADLP Cc1nc(C)c(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000628210044 451183252 /nfs/dbraw/zinc/18/32/52/451183252.db2.gz FDJOMCIVODDPIV-UHFFFAOYSA-N 3 2 329.448 1.988 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H](C)[NH+](C)C)CC2)c1 ZINC000635703912 451185048 /nfs/dbraw/zinc/18/50/48/451185048.db2.gz PBTGUYPPQZYFNI-OAHLLOKOSA-N 2 2 335.448 1.168 20 0 EDADLP C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)[C@@H]1C[N@H+](C)CCO1 ZINC000635712745 451191935 /nfs/dbraw/zinc/19/19/35/451191935.db2.gz SOBOULDJUNFQGW-WBMJQRKESA-N 2 2 330.388 1.027 20 0 EDADLP C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)[C@@H]1C[N@@H+](C)CCO1 ZINC000635712745 451191939 /nfs/dbraw/zinc/19/19/39/451191939.db2.gz SOBOULDJUNFQGW-WBMJQRKESA-N 2 2 330.388 1.027 20 0 EDADLP C[C@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@H]1CCCO1 ZINC000634194144 451231442 /nfs/dbraw/zinc/23/14/42/451231442.db2.gz LKSRTLPNGUHKSP-GDBMZVCRSA-N 2 2 332.448 1.977 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)cc1 ZINC000635762659 451225598 /nfs/dbraw/zinc/22/55/98/451225598.db2.gz OQNVBPFHEDBRBH-IIDMSEBBSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)cc1 ZINC000635762659 451225601 /nfs/dbraw/zinc/22/56/01/451225601.db2.gz OQNVBPFHEDBRBH-IIDMSEBBSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000635762659 451225605 /nfs/dbraw/zinc/22/56/05/451225605.db2.gz OQNVBPFHEDBRBH-IIDMSEBBSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000635762659 451225608 /nfs/dbraw/zinc/22/56/08/451225608.db2.gz OQNVBPFHEDBRBH-IIDMSEBBSA-N 2 2 331.460 1.821 20 0 EDADLP Cc1ccn([C@H](C)CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000634194061 451229413 /nfs/dbraw/zinc/22/94/13/451229413.db2.gz JEOKMPAQLMSIKS-OAHLLOKOSA-N 2 2 342.447 1.928 20 0 EDADLP Cc1ccc(CCC[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c[nH+]1 ZINC000628420544 451246458 /nfs/dbraw/zinc/24/64/58/451246458.db2.gz CJXWTCDSIBRZJD-LJQANCHMSA-N 2 2 333.476 1.528 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C[C@@H]1C ZINC000638121551 451289799 /nfs/dbraw/zinc/28/97/99/451289799.db2.gz GAZWJXJMYAFMRO-YTQUADARSA-N 2 2 346.519 1.777 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C[C@@H]1C ZINC000638121551 451289802 /nfs/dbraw/zinc/28/98/02/451289802.db2.gz GAZWJXJMYAFMRO-YTQUADARSA-N 2 2 346.519 1.777 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124302 451293557 /nfs/dbraw/zinc/29/35/57/451293557.db2.gz RXRYMPVHCZFNQH-KBAYOESNSA-N 2 2 332.492 1.387 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000638124302 451293562 /nfs/dbraw/zinc/29/35/62/451293562.db2.gz RXRYMPVHCZFNQH-KBAYOESNSA-N 2 2 332.492 1.387 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635893937 451337451 /nfs/dbraw/zinc/33/74/51/451337451.db2.gz WRDZQGSYBVCSDX-UHFFFAOYSA-N 2 2 328.460 1.915 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000630742748 451378271 /nfs/dbraw/zinc/37/82/71/451378271.db2.gz LBGWCVFOWBBMGQ-UHFFFAOYSA-N 2 2 342.447 1.239 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638253397 451383262 /nfs/dbraw/zinc/38/32/62/451383262.db2.gz MYQCAASOLQWVIP-OCCSQVGLSA-N 2 2 333.329 1.865 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)C[C@H]1CCC(F)(F)C1 ZINC000632550496 451391532 /nfs/dbraw/zinc/39/15/32/451391532.db2.gz ZCWQPDCSFXYXQL-ZDUSSCGKSA-N 2 2 341.468 1.225 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)C[C@H]1CCC(F)(F)C1 ZINC000632550496 451391535 /nfs/dbraw/zinc/39/15/35/451391535.db2.gz ZCWQPDCSFXYXQL-ZDUSSCGKSA-N 2 2 341.468 1.225 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)cc1 ZINC000635956252 451394907 /nfs/dbraw/zinc/39/49/07/451394907.db2.gz WJNKRNLHDKSLPN-CGTJXYLNSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)cc1 ZINC000635956252 451394912 /nfs/dbraw/zinc/39/49/12/451394912.db2.gz WJNKRNLHDKSLPN-CGTJXYLNSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000635956252 451394917 /nfs/dbraw/zinc/39/49/17/451394917.db2.gz WJNKRNLHDKSLPN-CGTJXYLNSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000635956252 451394920 /nfs/dbraw/zinc/39/49/20/451394920.db2.gz WJNKRNLHDKSLPN-CGTJXYLNSA-N 2 2 329.444 1.432 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCCC[N@H+]1CCO ZINC000635976528 451412180 /nfs/dbraw/zinc/41/21/80/451412180.db2.gz JYAKAGAIGPZZPT-QWHCGFSZSA-N 2 2 348.369 1.340 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000635976528 451412183 /nfs/dbraw/zinc/41/21/83/451412183.db2.gz JYAKAGAIGPZZPT-QWHCGFSZSA-N 2 2 348.369 1.340 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)[C@H](C)C1 ZINC000640569117 451413343 /nfs/dbraw/zinc/41/33/43/451413343.db2.gz HPOQEHGJYKGKCK-ZIAGYGMSSA-N 2 2 335.452 1.062 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)CC1(O)CCOCC1 ZINC000634636977 451429005 /nfs/dbraw/zinc/42/90/05/451429005.db2.gz NAAMIHUUCFDLHC-OALUTQOASA-N 2 2 348.487 1.706 20 0 EDADLP CC(C)[C@@H](CNC(=O)Nc1cc[nH+]c(N(C)C)c1)[NH+]1CCOCC1 ZINC000640609944 451457457 /nfs/dbraw/zinc/45/74/57/451457457.db2.gz QKWJHBHLSYBZAT-OAHLLOKOSA-N 2 2 335.452 1.626 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C[NH+](C)CCc1ccccc1 ZINC000636035563 451458200 /nfs/dbraw/zinc/45/82/00/451458200.db2.gz SOMDZKXPEZZLKG-DLBZAZTESA-N 2 2 333.476 1.074 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C[NH+](C)CCc1ccccc1 ZINC000636035563 451458201 /nfs/dbraw/zinc/45/82/01/451458201.db2.gz SOMDZKXPEZZLKG-DLBZAZTESA-N 2 2 333.476 1.074 20 0 EDADLP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC000636035563 451458202 /nfs/dbraw/zinc/45/82/02/451458202.db2.gz SOMDZKXPEZZLKG-DLBZAZTESA-N 2 2 333.476 1.074 20 0 EDADLP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC000636035563 451458205 /nfs/dbraw/zinc/45/82/05/451458205.db2.gz SOMDZKXPEZZLKG-DLBZAZTESA-N 2 2 333.476 1.074 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640599680 451445336 /nfs/dbraw/zinc/44/53/36/451445336.db2.gz HWRFWVWFZYUPHJ-UHFFFAOYSA-N 2 2 348.495 1.685 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640599680 451445340 /nfs/dbraw/zinc/44/53/40/451445340.db2.gz HWRFWVWFZYUPHJ-UHFFFAOYSA-N 2 2 348.495 1.685 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640600659 451446836 /nfs/dbraw/zinc/44/68/36/451446836.db2.gz RHZYUPYSGVUMAE-DZGCQCFKSA-N 2 2 333.436 1.475 20 0 EDADLP OCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(F)c1 ZINC000634724818 451506088 /nfs/dbraw/zinc/50/60/88/451506088.db2.gz YFCIOMYXABGBGT-CJNGLKHVSA-N 2 2 330.831 1.949 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000636145360 451546740 /nfs/dbraw/zinc/54/67/40/451546740.db2.gz ZGRXTZKAFLWSFG-CQSZACIVSA-N 2 2 333.436 1.616 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[C@H]1C[NH3+] ZINC000634810809 451565018 /nfs/dbraw/zinc/56/50/18/451565018.db2.gz JOCHAUVHYUUEJH-QKPAOTATSA-N 2 2 333.480 1.495 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C[C@H]1C[NH3+] ZINC000634810809 451565023 /nfs/dbraw/zinc/56/50/23/451565023.db2.gz JOCHAUVHYUUEJH-QKPAOTATSA-N 2 2 333.480 1.495 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000634809317 451565350 /nfs/dbraw/zinc/56/53/50/451565350.db2.gz PNRPAMOUKKQJAU-HDMKZQKVSA-N 2 2 331.464 1.264 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000634809317 451565353 /nfs/dbraw/zinc/56/53/53/451565353.db2.gz PNRPAMOUKKQJAU-HDMKZQKVSA-N 2 2 331.464 1.264 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@H]3CC[NH2+]CC(C)(C)C3)[nH+]cn2)C1 ZINC000634813543 451568551 /nfs/dbraw/zinc/56/85/51/451568551.db2.gz ONRLABFNYBASTE-KKUMJFAQSA-N 2 2 333.480 1.874 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@H]3CC[NH2+]CC(C)(C)C3)nc[nH+]2)C1 ZINC000634813543 451568552 /nfs/dbraw/zinc/56/85/52/451568552.db2.gz ONRLABFNYBASTE-KKUMJFAQSA-N 2 2 333.480 1.874 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC[N@@H+]1C ZINC000632794408 451587034 /nfs/dbraw/zinc/58/70/34/451587034.db2.gz MUMYWIRWZYZTAK-DLBZAZTESA-N 2 2 344.459 1.199 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)CC[N@H+]1C ZINC000632794408 451587041 /nfs/dbraw/zinc/58/70/41/451587041.db2.gz MUMYWIRWZYZTAK-DLBZAZTESA-N 2 2 344.459 1.199 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC[NH+]1C ZINC000632794408 451587043 /nfs/dbraw/zinc/58/70/43/451587043.db2.gz MUMYWIRWZYZTAK-DLBZAZTESA-N 2 2 344.459 1.199 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC[NH+]1C ZINC000632794408 451587050 /nfs/dbraw/zinc/58/70/50/451587050.db2.gz MUMYWIRWZYZTAK-DLBZAZTESA-N 2 2 344.459 1.199 20 0 EDADLP C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631114038 451591062 /nfs/dbraw/zinc/59/10/62/451591062.db2.gz PLOMFSHNIZXWSZ-KVLZDYKBSA-N 2 2 334.460 1.814 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000636244962 451615443 /nfs/dbraw/zinc/61/54/43/451615443.db2.gz PZEJQRCYXDGBGS-MOPGFXCFSA-N 2 2 344.503 1.261 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000636244962 451615449 /nfs/dbraw/zinc/61/54/49/451615449.db2.gz PZEJQRCYXDGBGS-MOPGFXCFSA-N 2 2 344.503 1.261 20 0 EDADLP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000636244962 451615454 /nfs/dbraw/zinc/61/54/54/451615454.db2.gz PZEJQRCYXDGBGS-MOPGFXCFSA-N 2 2 344.503 1.261 20 0 EDADLP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000636244962 451615459 /nfs/dbraw/zinc/61/54/59/451615459.db2.gz PZEJQRCYXDGBGS-MOPGFXCFSA-N 2 2 344.503 1.261 20 0 EDADLP CC[N@H+](CC(=O)NC1(C[NH3+])CCOCC1)Cc1ccccc1Cl ZINC000638630905 451620659 /nfs/dbraw/zinc/62/06/59/451620659.db2.gz JALZUDNZWTWXJS-UHFFFAOYSA-N 2 2 339.867 1.786 20 0 EDADLP CC[N@@H+](CC(=O)NC1(C[NH3+])CCOCC1)Cc1ccccc1Cl ZINC000638630905 451620667 /nfs/dbraw/zinc/62/06/67/451620667.db2.gz JALZUDNZWTWXJS-UHFFFAOYSA-N 2 2 339.867 1.786 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000632910525 451645303 /nfs/dbraw/zinc/64/53/03/451645303.db2.gz CRBYMBDYIRKDJA-KGLIPLIRSA-N 2 2 329.404 1.916 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000631272801 451673406 /nfs/dbraw/zinc/67/34/06/451673406.db2.gz MGYJDTCHPFYBRV-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000631272801 451673409 /nfs/dbraw/zinc/67/34/09/451673409.db2.gz MGYJDTCHPFYBRV-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638752825 451678786 /nfs/dbraw/zinc/67/87/86/451678786.db2.gz ZXHDMHVNVFKGJV-IRXDYDNUSA-N 2 2 347.459 1.710 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc(F)c3N)[nH+]c2)C1 ZINC000638789830 451692991 /nfs/dbraw/zinc/69/29/91/451692991.db2.gz FAYHCCGKOLIBJJ-OAHLLOKOSA-N 2 2 329.423 2.555 20 0 EDADLP [NH3+]CCCc1cn(Cc2cn3cc(Br)ccc3[nH+]2)nn1 ZINC000640958575 451704344 /nfs/dbraw/zinc/70/43/44/451704344.db2.gz MWVHTVLNIVEGQH-UHFFFAOYSA-N 2 2 335.209 1.628 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000638731947 451669822 /nfs/dbraw/zinc/66/98/22/451669822.db2.gz SCYZGJCJCNMBOC-MSOLQXFVSA-N 2 2 340.427 1.099 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000638731947 451669825 /nfs/dbraw/zinc/66/98/25/451669825.db2.gz SCYZGJCJCNMBOC-MSOLQXFVSA-N 2 2 340.427 1.099 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnc2n1CCCCC2 ZINC000638985879 451746556 /nfs/dbraw/zinc/74/65/56/451746556.db2.gz POKGZTSNHSQBEI-UHFFFAOYSA-N 2 2 340.431 1.666 20 0 EDADLP COc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1OC ZINC000638987056 451747481 /nfs/dbraw/zinc/74/74/81/451747481.db2.gz JODLHMFNRFIHFZ-UHFFFAOYSA-N 2 2 342.399 1.761 20 0 EDADLP CC(C)c1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)nn1C ZINC000638986389 451747586 /nfs/dbraw/zinc/74/75/86/451747586.db2.gz MKEJUQKJKOUTMY-UHFFFAOYSA-N 2 2 328.420 1.600 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639019145 451752763 /nfs/dbraw/zinc/75/27/63/451752763.db2.gz CRECDISGPXAGIL-XJKSGUPXSA-N 2 2 326.400 1.792 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3ccc4oc(=O)n(C)c4c3)CC2)cc[nH+]1 ZINC000639062772 451760438 /nfs/dbraw/zinc/76/04/38/451760438.db2.gz UKGOWRZRGHXZJN-UHFFFAOYSA-N 2 2 339.399 1.552 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@H]1CO ZINC000639089292 451765950 /nfs/dbraw/zinc/76/59/50/451765950.db2.gz FPYGCUQHAXSFQQ-LPHOPBHVSA-N 2 2 334.460 1.600 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@H]1CO ZINC000639089292 451765952 /nfs/dbraw/zinc/76/59/52/451765952.db2.gz FPYGCUQHAXSFQQ-LPHOPBHVSA-N 2 2 334.460 1.600 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(F)c3N)CC2)CC1 ZINC000639168649 451783741 /nfs/dbraw/zinc/78/37/41/451783741.db2.gz CLALNZPELZWNKO-UHFFFAOYSA-N 2 2 334.439 1.394 20 0 EDADLP C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639177989 451787181 /nfs/dbraw/zinc/78/71/81/451787181.db2.gz DWNCRYKVIGXPBJ-INIZCTEOSA-N 2 2 347.459 1.108 20 0 EDADLP C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639177989 451787183 /nfs/dbraw/zinc/78/71/83/451787183.db2.gz DWNCRYKVIGXPBJ-INIZCTEOSA-N 2 2 347.459 1.108 20 0 EDADLP C[N@H+](C[C@@H](O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1)C1CC1 ZINC000641222456 451788410 /nfs/dbraw/zinc/78/84/10/451788410.db2.gz LLKFVVMYNCYRRE-QGZVFWFLSA-N 2 2 333.411 1.162 20 0 EDADLP C[N@@H+](C[C@@H](O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1)C1CC1 ZINC000641222456 451788411 /nfs/dbraw/zinc/78/84/11/451788411.db2.gz LLKFVVMYNCYRRE-QGZVFWFLSA-N 2 2 333.411 1.162 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000639244983 451797840 /nfs/dbraw/zinc/79/78/40/451797840.db2.gz HKPBLVWNGNZMDR-QUCCMNQESA-N 2 2 345.487 1.534 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000639244983 451797842 /nfs/dbraw/zinc/79/78/42/451797842.db2.gz HKPBLVWNGNZMDR-QUCCMNQESA-N 2 2 345.487 1.534 20 0 EDADLP FC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000639260659 451800474 /nfs/dbraw/zinc/80/04/74/451800474.db2.gz BEXCIFJBXCPFJW-GOSISDBHSA-N 2 2 338.423 1.568 20 0 EDADLP FC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000639260659 451800476 /nfs/dbraw/zinc/80/04/76/451800476.db2.gz BEXCIFJBXCPFJW-GOSISDBHSA-N 2 2 338.423 1.568 20 0 EDADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000641286657 451810872 /nfs/dbraw/zinc/81/08/72/451810872.db2.gz BGMPPJKUWHDUHU-HNNXBMFYSA-N 2 2 340.424 1.245 20 0 EDADLP Cc1ccc([C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000641302775 451826959 /nfs/dbraw/zinc/82/69/59/451826959.db2.gz UFLZNZACQFAFQC-MRXNPFEDSA-N 2 2 336.461 1.414 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000644569285 451867485 /nfs/dbraw/zinc/86/74/85/451867485.db2.gz GEWHSSVYHZECJU-HUUCEWRRSA-N 2 2 345.443 1.108 20 0 EDADLP CN(C(=O)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000644583730 451876937 /nfs/dbraw/zinc/87/69/37/451876937.db2.gz YYYVVEQFQGNJDT-IBGZPJMESA-N 2 2 347.503 1.860 20 0 EDADLP CN(C(=O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000644583730 451876938 /nfs/dbraw/zinc/87/69/38/451876938.db2.gz YYYVVEQFQGNJDT-IBGZPJMESA-N 2 2 347.503 1.860 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641361166 451893707 /nfs/dbraw/zinc/89/37/07/451893707.db2.gz ZMXNACOCDBOGEE-KRWDZBQOSA-N 2 2 348.472 1.419 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641361166 451893715 /nfs/dbraw/zinc/89/37/15/451893715.db2.gz ZMXNACOCDBOGEE-KRWDZBQOSA-N 2 2 348.472 1.419 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000649279257 451950845 /nfs/dbraw/zinc/95/08/45/451950845.db2.gz BCIHJSVYFINHHR-HOTGVXAUSA-N 2 2 337.851 1.663 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000649213810 451908633 /nfs/dbraw/zinc/90/86/33/451908633.db2.gz SCIJGNPGQVNXAK-FUHWJXTLSA-N 2 2 346.475 1.549 20 0 EDADLP C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)CC[N@H+]1C ZINC000641410114 451948392 /nfs/dbraw/zinc/94/83/92/451948392.db2.gz RBZLQKCFHACINJ-KGLIPLIRSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)CC[N@@H+]1C ZINC000641410114 451948393 /nfs/dbraw/zinc/94/83/93/451948393.db2.gz RBZLQKCFHACINJ-KGLIPLIRSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC[NH+]1C ZINC000641410114 451948394 /nfs/dbraw/zinc/94/83/94/451948394.db2.gz RBZLQKCFHACINJ-KGLIPLIRSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC[NH+]1C ZINC000641410114 451948395 /nfs/dbraw/zinc/94/83/95/451948395.db2.gz RBZLQKCFHACINJ-KGLIPLIRSA-N 2 2 337.489 1.388 20 0 EDADLP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000649280351 451952590 /nfs/dbraw/zinc/95/25/90/451952590.db2.gz FMQNRUBGTYZKHE-CYBMUJFWSA-N 2 2 329.416 1.637 20 0 EDADLP COc1cc(OC)c(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1F ZINC000651603861 451952947 /nfs/dbraw/zinc/95/29/47/451952947.db2.gz IOSLDZPJJAVTKO-UHFFFAOYSA-N 2 2 326.412 1.731 20 0 EDADLP COc1cc(OC)c(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1F ZINC000651603861 451952953 /nfs/dbraw/zinc/95/29/53/451952953.db2.gz IOSLDZPJJAVTKO-UHFFFAOYSA-N 2 2 326.412 1.731 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000649281548 451954141 /nfs/dbraw/zinc/95/41/41/451954141.db2.gz SKJLIUTYQHNXMY-IAGOWNOFSA-N 2 2 331.460 1.483 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651648952 451990793 /nfs/dbraw/zinc/99/07/93/451990793.db2.gz LSGZYSFFNXFKAZ-MRXNPFEDSA-N 2 2 328.416 1.566 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651648952 451990795 /nfs/dbraw/zinc/99/07/95/451990795.db2.gz LSGZYSFFNXFKAZ-MRXNPFEDSA-N 2 2 328.416 1.566 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)C2 ZINC000649317881 451995787 /nfs/dbraw/zinc/99/57/87/451995787.db2.gz AVRXFOVPDOWIGY-VXGBXAGGSA-N 2 2 340.418 1.856 20 0 EDADLP [NH3+]C1CCC(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000649330358 452011428 /nfs/dbraw/zinc/01/14/28/452011428.db2.gz UKEDFESWWOZYQK-CTWPCTMYSA-N 2 2 345.487 1.564 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639682085 452021016 /nfs/dbraw/zinc/02/10/16/452021016.db2.gz KEFCLVIPMNBNDQ-QGZVFWFLSA-N 3 2 345.491 1.146 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639682085 452021022 /nfs/dbraw/zinc/02/10/22/452021022.db2.gz KEFCLVIPMNBNDQ-QGZVFWFLSA-N 3 2 345.491 1.146 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3nnn(C(C)(C)C)n3)CC2)CC1 ZINC000653585229 452026539 /nfs/dbraw/zinc/02/65/39/452026539.db2.gz GYKCPUDDHSOKQS-UHFFFAOYSA-N 2 2 349.527 1.419 20 0 EDADLP c1c2cnccc2oc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000651710892 452028139 /nfs/dbraw/zinc/02/81/39/452028139.db2.gz SBQFUGBQOQFSNQ-INIZCTEOSA-N 2 2 330.432 1.324 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000643073624 452034724 /nfs/dbraw/zinc/03/47/24/452034724.db2.gz LAZQSJLGCYTCCU-LJQANCHMSA-N 2 2 331.460 1.566 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000643073624 452034730 /nfs/dbraw/zinc/03/47/30/452034730.db2.gz LAZQSJLGCYTCCU-LJQANCHMSA-N 2 2 331.460 1.566 20 0 EDADLP COC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC[NH2+]1 ZINC000649351706 452035121 /nfs/dbraw/zinc/03/51/21/452035121.db2.gz LBTCNBSBVXLIKP-LJQANCHMSA-N 2 2 346.475 1.141 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1CCCOCC1 ZINC000649366646 452044673 /nfs/dbraw/zinc/04/46/73/452044673.db2.gz GQTXJUILQVIJTF-AEFFLSMTSA-N 2 2 342.443 1.487 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000649409809 452074534 /nfs/dbraw/zinc/07/45/34/452074534.db2.gz GOWKLFLCIBHFLB-KRWDZBQOSA-N 2 2 334.439 1.158 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000649409809 452074539 /nfs/dbraw/zinc/07/45/39/452074539.db2.gz GOWKLFLCIBHFLB-KRWDZBQOSA-N 2 2 334.439 1.158 20 0 EDADLP CC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000649416863 452080230 /nfs/dbraw/zinc/08/02/30/452080230.db2.gz OEBDWBZOHFEYEV-IAGOWNOFSA-N 3 2 345.491 1.180 20 0 EDADLP CC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1[NH3+] ZINC000649416863 452080234 /nfs/dbraw/zinc/08/02/34/452080234.db2.gz OEBDWBZOHFEYEV-IAGOWNOFSA-N 3 2 345.491 1.180 20 0 EDADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762895 452102377 /nfs/dbraw/zinc/10/23/77/452102377.db2.gz ANZAYTBSTMZPTK-QAPCUYQASA-N 2 2 325.497 1.460 20 0 EDADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762895 452102382 /nfs/dbraw/zinc/10/23/82/452102382.db2.gz ANZAYTBSTMZPTK-QAPCUYQASA-N 2 2 325.497 1.460 20 0 EDADLP Cc1ccccc1-n1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000647176447 452107955 /nfs/dbraw/zinc/10/79/55/452107955.db2.gz IRHDEYSEUOIRPM-UHFFFAOYSA-N 2 2 327.432 1.044 20 0 EDADLP C[C@@H]1CN(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000637864020 452120485 /nfs/dbraw/zinc/12/04/85/452120485.db2.gz KJXCJWHNPALYHM-RVKKMQEKSA-N 2 2 346.475 1.015 20 0 EDADLP C[C@@H]1CN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000637864020 452120490 /nfs/dbraw/zinc/12/04/90/452120490.db2.gz KJXCJWHNPALYHM-RVKKMQEKSA-N 2 2 346.475 1.015 20 0 EDADLP CC(C)(C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)C[NH+]1CCCC1 ZINC000647206496 452124973 /nfs/dbraw/zinc/12/49/73/452124973.db2.gz UNPUDWJWDHWNPE-UHFFFAOYSA-N 2 2 343.468 1.685 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000649559398 452143829 /nfs/dbraw/zinc/14/38/29/452143829.db2.gz AJUDJCYHUAXNHW-UHFFFAOYSA-N 2 2 345.491 1.205 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCCCn3cc[nH+]c3)cn21 ZINC000645099125 452150802 /nfs/dbraw/zinc/15/08/02/452150802.db2.gz CFTLAKCWOBSBCH-UHFFFAOYSA-N 2 2 326.404 1.771 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000645120771 452162770 /nfs/dbraw/zinc/16/27/70/452162770.db2.gz LXUCCROSUDLGSR-UHFFFAOYSA-N 2 2 344.463 1.977 20 0 EDADLP CN(CCCC[NH+]1CCCCC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000641663251 452176541 /nfs/dbraw/zinc/17/65/41/452176541.db2.gz SHBNOXCKTFDGBN-UHFFFAOYSA-N 2 2 325.497 1.822 20 0 EDADLP C[C@@H](COCC1CC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000651982677 452204771 /nfs/dbraw/zinc/20/47/71/452204771.db2.gz DWNQSDKLYKKNKL-INIZCTEOSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000651982677 452204776 /nfs/dbraw/zinc/20/47/76/452204776.db2.gz DWNQSDKLYKKNKL-INIZCTEOSA-N 2 2 325.497 1.188 20 0 EDADLP CC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000649732150 452218217 /nfs/dbraw/zinc/21/82/17/452218217.db2.gz SVORUVDLLMVHIV-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000649732150 452218224 /nfs/dbraw/zinc/21/82/24/452218224.db2.gz SVORUVDLLMVHIV-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645221659 452219056 /nfs/dbraw/zinc/21/90/56/452219056.db2.gz MZISMSPRQXMYGU-KRWDZBQOSA-N 2 2 331.460 1.646 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645234755 452227517 /nfs/dbraw/zinc/22/75/17/452227517.db2.gz ZDUWAWIBDOQXAD-QWHCGFSZSA-N 2 2 332.439 1.745 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645234755 452227525 /nfs/dbraw/zinc/22/75/25/452227525.db2.gz ZDUWAWIBDOQXAD-QWHCGFSZSA-N 2 2 332.439 1.745 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1(C)C ZINC000641749258 452234716 /nfs/dbraw/zinc/23/47/16/452234716.db2.gz DGBZJIIRJXACDD-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1(C)C ZINC000641749258 452234721 /nfs/dbraw/zinc/23/47/21/452234721.db2.gz DGBZJIIRJXACDD-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCCO1 ZINC000641783969 452253498 /nfs/dbraw/zinc/25/34/98/452253498.db2.gz BMKNFDAQPPCHCN-KSZLIROESA-N 2 2 325.497 1.330 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCOC1 ZINC000641784366 452254715 /nfs/dbraw/zinc/25/47/15/452254715.db2.gz CHJNIOQALSMJCW-KSZLIROESA-N 2 2 325.497 1.188 20 0 EDADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641785671 452257206 /nfs/dbraw/zinc/25/72/06/452257206.db2.gz JZEHBZRKDKSCSJ-IEBWSBKVSA-N 2 2 332.492 1.837 20 0 EDADLP Cc1c[nH]c(CNc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)[nH+]1 ZINC000657461110 452260587 /nfs/dbraw/zinc/26/05/87/452260587.db2.gz RGNKIQIZYBFYSQ-UHFFFAOYSA-N 2 2 337.449 1.170 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000647529548 452263891 /nfs/dbraw/zinc/26/38/91/452263891.db2.gz UJDFWOLQPMOCPX-ILXRZTDVSA-N 2 2 334.382 1.771 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000647529548 452263902 /nfs/dbraw/zinc/26/39/02/452263902.db2.gz UJDFWOLQPMOCPX-ILXRZTDVSA-N 2 2 334.382 1.771 20 0 EDADLP COc1cccc(C[C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)n1 ZINC000643503902 452268909 /nfs/dbraw/zinc/26/89/09/452268909.db2.gz BCAPVFUVEOSNDF-AWEZNQCLSA-N 2 2 327.432 1.938 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000641801141 452275464 /nfs/dbraw/zinc/27/54/64/452275464.db2.gz ALRMTROVXFLIMK-CABCVRRESA-N 3 2 336.505 1.108 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CC4CC3(C[NH3+])C4)c[nH+]2)CC1 ZINC000659433013 452278332 /nfs/dbraw/zinc/27/83/32/452278332.db2.gz ZOJXXLWHAZJASS-UHFFFAOYSA-N 2 2 343.475 1.951 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N(C)CC(C)(C)[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000659432655 452279762 /nfs/dbraw/zinc/27/97/62/452279762.db2.gz ICZWYOLQDZSRAU-KBPBESRZSA-N 2 2 349.479 1.574 20 0 EDADLP C[C@H](CNC(=O)[C@H](N)c1c(F)cccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488404 452285332 /nfs/dbraw/zinc/28/53/32/452285332.db2.gz YSCPJCRNMDVIDW-LSSIXWDNSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488404 452285340 /nfs/dbraw/zinc/28/53/40/452285340.db2.gz YSCPJCRNMDVIDW-LSSIXWDNSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488404 452285348 /nfs/dbraw/zinc/28/53/48/452285348.db2.gz YSCPJCRNMDVIDW-LSSIXWDNSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488961 452287787 /nfs/dbraw/zinc/28/77/87/452287787.db2.gz KAZCJQRTEGKCJA-ZXFNITATSA-N 2 2 331.460 1.487 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488961 452287794 /nfs/dbraw/zinc/28/77/94/452287794.db2.gz KAZCJQRTEGKCJA-ZXFNITATSA-N 2 2 331.460 1.487 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[N@H+]3CCC[C@@H](C)C3)cc2[nH+]1 ZINC000657521818 452305073 /nfs/dbraw/zinc/30/50/73/452305073.db2.gz DFINOAGFPPMITN-CYBMUJFWSA-N 2 2 343.431 1.429 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)cc2[nH+]1 ZINC000657521818 452305081 /nfs/dbraw/zinc/30/50/81/452305081.db2.gz DFINOAGFPPMITN-CYBMUJFWSA-N 2 2 343.431 1.429 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639981644 452316296 /nfs/dbraw/zinc/31/62/96/452316296.db2.gz NPEBDEKBIQVFSY-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP CCC1([NH+]2CCCC2)CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000639988599 452319310 /nfs/dbraw/zinc/31/93/10/452319310.db2.gz VGNGMPYERQPVRO-UHFFFAOYSA-N 2 2 331.526 1.608 20 0 EDADLP O=C(N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000643596799 452319749 /nfs/dbraw/zinc/31/97/49/452319749.db2.gz XISFOUILJOPDRY-CLCXKQKWSA-N 2 2 342.443 1.414 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000638051888 452326529 /nfs/dbraw/zinc/32/65/29/452326529.db2.gz UNAWFZRKQARPSA-SJLPKXTDSA-N 2 2 333.432 1.224 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC/C=C\C[NH3+] ZINC000641863090 452329312 /nfs/dbraw/zinc/32/93/12/452329312.db2.gz XRJRCGVVBDSMFX-KEGWNNHHSA-N 2 2 346.475 1.434 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000645388602 452364991 /nfs/dbraw/zinc/36/49/91/452364991.db2.gz YUROSWZHKVVLDW-CQSZACIVSA-N 2 2 334.493 1.571 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](C4CC4)[C@H]3C3CC3)C2)CC1 ZINC000655552142 452370226 /nfs/dbraw/zinc/37/02/26/452370226.db2.gz PBVDOBKCWSRGDJ-QXAKKESOSA-N 2 2 346.519 1.985 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H](C4CC4)[C@H]3C3CC3)C2)CC1 ZINC000655552142 452370236 /nfs/dbraw/zinc/37/02/36/452370236.db2.gz PBVDOBKCWSRGDJ-QXAKKESOSA-N 2 2 346.519 1.985 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638074455 452386096 /nfs/dbraw/zinc/38/60/96/452386096.db2.gz BCGDMYOHQFJNOC-IBGZPJMESA-N 2 2 346.519 1.779 20 0 EDADLP CN(CC(=O)N1CC[NH+](C)CC1)Cc1c[nH+]cn1Cc1ccccc1 ZINC000640051054 452393208 /nfs/dbraw/zinc/39/32/08/452393208.db2.gz DUFNQKKZUSXALH-UHFFFAOYSA-N 2 2 341.459 1.137 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000638079364 452396461 /nfs/dbraw/zinc/39/64/61/452396461.db2.gz STZYKYZWKCKZIT-PBHICJAKSA-N 2 2 326.400 1.941 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)cc2[nH+]1 ZINC000657655391 452426330 /nfs/dbraw/zinc/42/63/30/452426330.db2.gz FBNVMPLKTOIVTJ-UHFFFAOYSA-N 2 2 329.404 1.039 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663736388 452470307 /nfs/dbraw/zinc/47/03/07/452470307.db2.gz MXPURPFOCNSELL-UHFFFAOYSA-N 2 2 349.479 1.335 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CCO1 ZINC000654417458 452470451 /nfs/dbraw/zinc/47/04/51/452470451.db2.gz QSDZGXDKXNTSFY-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CCO1 ZINC000654417458 452470460 /nfs/dbraw/zinc/47/04/60/452470460.db2.gz QSDZGXDKXNTSFY-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000654417458 452470469 /nfs/dbraw/zinc/47/04/69/452470469.db2.gz QSDZGXDKXNTSFY-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000654417458 452470480 /nfs/dbraw/zinc/47/04/80/452470480.db2.gz QSDZGXDKXNTSFY-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP COc1cccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)c2[nH+]ccn2C)c1 ZINC000654426036 452481298 /nfs/dbraw/zinc/48/12/98/452481298.db2.gz BWBMXTRBTTVEPD-KDOFPFPSSA-N 2 2 342.443 1.976 20 0 EDADLP COc1cccc([C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)c2[nH+]ccn2C)c1 ZINC000654426036 452481303 /nfs/dbraw/zinc/48/13/03/452481303.db2.gz BWBMXTRBTTVEPD-KDOFPFPSSA-N 2 2 342.443 1.976 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659624918 452482662 /nfs/dbraw/zinc/48/26/62/452482662.db2.gz JFRHQUCULJPVIH-QGZVFWFLSA-N 2 2 348.491 1.896 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)NCC[NH+]3CCOCC3)ccc21 ZINC000640172537 452485763 /nfs/dbraw/zinc/48/57/63/452485763.db2.gz GDAIQPQRJZMMSY-UHFFFAOYSA-N 2 2 343.431 1.755 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000654430255 452486387 /nfs/dbraw/zinc/48/63/87/452486387.db2.gz GGMMOLPJAWAEAY-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cn2c1 ZINC000663763273 452492499 /nfs/dbraw/zinc/49/24/99/452492499.db2.gz OSSQWUDMYATTFG-INIZCTEOSA-N 2 2 343.431 1.259 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CCO1 ZINC000663769699 452499273 /nfs/dbraw/zinc/49/92/73/452499273.db2.gz LYPHDUATJHHPNV-MRXNPFEDSA-N 2 2 337.468 1.416 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c2[nH+]ccn21 ZINC000645529850 452499651 /nfs/dbraw/zinc/49/96/51/452499651.db2.gz KSAWGXYPDWGTDL-KGLIPLIRSA-N 2 2 333.436 1.395 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)C[NH2+]C)CC2)cc1 ZINC000659640135 452503692 /nfs/dbraw/zinc/50/36/92/452503692.db2.gz ULYOVQKUGOKVLN-HNNXBMFYSA-N 2 2 334.464 1.520 20 0 EDADLP C[C@@]12COC[C@H]1C[N@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000661703315 452506004 /nfs/dbraw/zinc/50/60/04/452506004.db2.gz DMAORPLPMKVAAU-SJLPKXTDSA-N 2 2 349.500 1.361 20 0 EDADLP C[C@@]12COC[C@H]1C[N@@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000661703315 452506011 /nfs/dbraw/zinc/50/60/11/452506011.db2.gz DMAORPLPMKVAAU-SJLPKXTDSA-N 2 2 349.500 1.361 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655682246 452509297 /nfs/dbraw/zinc/50/92/97/452509297.db2.gz CDKMDUUATJFGQM-RBUKOAKNSA-N 2 2 339.524 1.576 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655682246 452509305 /nfs/dbraw/zinc/50/93/05/452509305.db2.gz CDKMDUUATJFGQM-RBUKOAKNSA-N 2 2 339.524 1.576 20 0 EDADLP CC(C)CN1CCO[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655682246 452509313 /nfs/dbraw/zinc/50/93/13/452509313.db2.gz CDKMDUUATJFGQM-RBUKOAKNSA-N 2 2 339.524 1.576 20 0 EDADLP c1c(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]c2n1CCCC2 ZINC000655687987 452510075 /nfs/dbraw/zinc/51/00/75/452510075.db2.gz FMSBUVKGFLZQFP-GOSISDBHSA-N 3 2 332.492 1.995 20 0 EDADLP COCC(=O)Nc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655694970 452514959 /nfs/dbraw/zinc/51/49/59/452514959.db2.gz JHJXLMVCRUHXND-SFHVURJKSA-N 2 2 347.459 1.614 20 0 EDADLP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCn4ccnc43)ccn2)CC1 ZINC000655692603 452515347 /nfs/dbraw/zinc/51/53/47/452515347.db2.gz QYLDYUBTPOFIPJ-MRXNPFEDSA-N 2 2 326.448 1.655 20 0 EDADLP O=C(NC1CC1)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655699652 452521699 /nfs/dbraw/zinc/52/16/99/452521699.db2.gz HGXPDQOUXIXHRT-IBGZPJMESA-N 2 2 343.471 1.922 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ncn(-c4ccccc4)n3)C2)C1 ZINC000652349132 452525526 /nfs/dbraw/zinc/52/55/26/452525526.db2.gz BWRIJDKYXZYLKF-JFIYKMOQSA-N 2 2 341.459 1.986 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ncn(-c4ccccc4)n3)C2)C1 ZINC000652349132 452525534 /nfs/dbraw/zinc/52/55/34/452525534.db2.gz BWRIJDKYXZYLKF-JFIYKMOQSA-N 2 2 341.459 1.986 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000652350361 452526615 /nfs/dbraw/zinc/52/66/15/452526615.db2.gz UTGABRZETSGWFP-UGSOOPFHSA-N 2 2 331.416 1.457 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000652350361 452526623 /nfs/dbraw/zinc/52/66/23/452526623.db2.gz UTGABRZETSGWFP-UGSOOPFHSA-N 2 2 331.416 1.457 20 0 EDADLP O=C(C[NH2+][C@@H]1CCCn2nccc21)N1CC[NH+](Cc2ccco2)CC1 ZINC000640220266 452527269 /nfs/dbraw/zinc/52/72/69/452527269.db2.gz LCCCBMFLRPZHGM-MRXNPFEDSA-N 2 2 343.431 1.245 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000652357299 452536801 /nfs/dbraw/zinc/53/68/01/452536801.db2.gz HZLGKDVVSFOQTP-NWANDNLSSA-N 2 2 337.489 1.317 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000652357299 452536810 /nfs/dbraw/zinc/53/68/10/452536810.db2.gz HZLGKDVVSFOQTP-NWANDNLSSA-N 2 2 337.489 1.317 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000647826228 452562224 /nfs/dbraw/zinc/56/22/24/452562224.db2.gz DKMPSHSMCIBYHR-CQSZACIVSA-N 2 2 341.402 1.617 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000647826228 452562231 /nfs/dbraw/zinc/56/22/31/452562231.db2.gz DKMPSHSMCIBYHR-CQSZACIVSA-N 2 2 341.402 1.617 20 0 EDADLP c1ccc(-c2n[nH]c(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)n2)nc1 ZINC000655774320 452568980 /nfs/dbraw/zinc/56/89/80/452568980.db2.gz TWKCMYPEFOFQTQ-HNNXBMFYSA-N 2 2 342.447 1.600 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[C@H]1n1cccn1 ZINC000655771876 452570512 /nfs/dbraw/zinc/57/05/12/452570512.db2.gz PRDIVTZHXAFUIQ-WNRNVDISSA-N 2 2 334.464 1.445 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000650171640 452571862 /nfs/dbraw/zinc/57/18/62/452571862.db2.gz JYNCHQYSUGSGJT-UHFFFAOYSA-N 2 2 347.419 1.147 20 0 EDADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655774700 452572251 /nfs/dbraw/zinc/57/22/51/452572251.db2.gz DZXIFQSRFVUFDI-GOEBONIOSA-N 2 2 332.448 1.560 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](O)[C@H]3C)CC2)c1 ZINC000650187009 452583583 /nfs/dbraw/zinc/58/35/83/452583583.db2.gz MPUDCNSEFWLOHM-SJLPKXTDSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)[C@H]3C)CC2)c1 ZINC000650187009 452583594 /nfs/dbraw/zinc/58/35/94/452583594.db2.gz MPUDCNSEFWLOHM-SJLPKXTDSA-N 2 2 331.460 1.094 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nnn(C(C)(C)C)n2)cc1 ZINC000655832263 452601874 /nfs/dbraw/zinc/60/18/74/452601874.db2.gz UGYRDWOZSKKGTD-UHFFFAOYSA-N 2 2 332.452 1.658 20 0 EDADLP CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647871209 452609645 /nfs/dbraw/zinc/60/96/45/452609645.db2.gz ZRIJAUROCUDUBV-LBPRGKRZSA-N 2 2 346.431 1.784 20 0 EDADLP CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647871209 452609653 /nfs/dbraw/zinc/60/96/53/452609653.db2.gz ZRIJAUROCUDUBV-LBPRGKRZSA-N 2 2 346.431 1.784 20 0 EDADLP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647882205 452620910 /nfs/dbraw/zinc/62/09/10/452620910.db2.gz WGMAXBCEHUEXDL-CQSZACIVSA-N 2 2 326.462 1.400 20 0 EDADLP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647882205 452620921 /nfs/dbraw/zinc/62/09/21/452620921.db2.gz WGMAXBCEHUEXDL-CQSZACIVSA-N 2 2 326.462 1.400 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)C[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000647890750 452630880 /nfs/dbraw/zinc/63/08/80/452630880.db2.gz NLWDDNZFXYQJKX-GUYCJALGSA-N 2 2 333.432 1.350 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)C[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000647890750 452630887 /nfs/dbraw/zinc/63/08/87/452630887.db2.gz NLWDDNZFXYQJKX-GUYCJALGSA-N 2 2 333.432 1.350 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000647899255 452641013 /nfs/dbraw/zinc/64/10/13/452641013.db2.gz DZTRFXNZCFUYJW-HZPDHXFCSA-N 2 2 345.443 1.496 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000647899255 452641020 /nfs/dbraw/zinc/64/10/20/452641020.db2.gz DZTRFXNZCFUYJW-HZPDHXFCSA-N 2 2 345.443 1.496 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000647925333 452661136 /nfs/dbraw/zinc/66/11/36/452661136.db2.gz DRNDTSRAJMKQAV-UHFFFAOYSA-N 2 2 327.432 1.302 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925380 452663959 /nfs/dbraw/zinc/66/39/59/452663959.db2.gz GVSAQFLPCKLWKG-ZDUSSCGKSA-N 2 2 333.432 1.988 20 0 EDADLP COc1ccc(CCNC(=O)C[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647927795 452665401 /nfs/dbraw/zinc/66/54/01/452665401.db2.gz JVQOTWNHFJBWIY-UHFFFAOYSA-N 2 2 335.448 1.176 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)CN1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000647939198 452681936 /nfs/dbraw/zinc/68/19/36/452681936.db2.gz FMKCRKSTMITWDS-QGZVFWFLSA-N 2 2 327.432 1.118 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647939001 452682680 /nfs/dbraw/zinc/68/26/80/452682680.db2.gz YRLLGIXFTCYJLX-JKSUJKDBSA-N 2 2 346.475 1.363 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647939001 452682683 /nfs/dbraw/zinc/68/26/83/452682683.db2.gz YRLLGIXFTCYJLX-JKSUJKDBSA-N 2 2 346.475 1.363 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC[C@@H]1[NH3+] ZINC000647940026 452682911 /nfs/dbraw/zinc/68/29/11/452682911.db2.gz KMIRCKQYJBLLEF-KBPBESRZSA-N 2 2 344.459 1.810 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC[C@@H]1[NH3+] ZINC000647940026 452682921 /nfs/dbraw/zinc/68/29/21/452682921.db2.gz KMIRCKQYJBLLEF-KBPBESRZSA-N 2 2 344.459 1.810 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000661954000 452715291 /nfs/dbraw/zinc/71/52/91/452715291.db2.gz GPQREUOUMHVUEE-KRWDZBQOSA-N 2 2 331.464 1.393 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000661954000 452715301 /nfs/dbraw/zinc/71/53/01/452715301.db2.gz GPQREUOUMHVUEE-KRWDZBQOSA-N 2 2 331.464 1.393 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661974261 452726557 /nfs/dbraw/zinc/72/65/57/452726557.db2.gz PBWUUFUUBSMEIG-IEBWSBKVSA-N 2 2 327.472 1.981 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661974261 452726565 /nfs/dbraw/zinc/72/65/65/452726565.db2.gz PBWUUFUUBSMEIG-IEBWSBKVSA-N 2 2 327.472 1.981 20 0 EDADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647985508 452729469 /nfs/dbraw/zinc/72/94/69/452729469.db2.gz MAQSPENZHBKVAI-MRXNPFEDSA-N 2 2 331.460 1.929 20 0 EDADLP Cc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647985508 452729479 /nfs/dbraw/zinc/72/94/79/452729479.db2.gz MAQSPENZHBKVAI-MRXNPFEDSA-N 2 2 331.460 1.929 20 0 EDADLP C[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000647995936 452736990 /nfs/dbraw/zinc/73/69/90/452736990.db2.gz CLARFFZBRHFVKU-JQFCIGGWSA-N 2 2 343.431 1.250 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649748 452740926 /nfs/dbraw/zinc/74/09/26/452740926.db2.gz MUVVQPLDQYFKRK-NXOAAHMSSA-N 2 2 349.479 1.727 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649748 452740932 /nfs/dbraw/zinc/74/09/32/452740932.db2.gz MUVVQPLDQYFKRK-NXOAAHMSSA-N 2 2 349.479 1.727 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3CC[N@@H+]3C(C)(C)C)nc[nH+]2)C1 ZINC000664138938 452817421 /nfs/dbraw/zinc/81/74/21/452817421.db2.gz MSLZYDJXIIBTLW-ZNMIVQPWSA-N 2 2 333.480 1.968 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3CC[N@H+]3C(C)(C)C)nc[nH+]2)C1 ZINC000664138938 452817427 /nfs/dbraw/zinc/81/74/27/452817427.db2.gz MSLZYDJXIIBTLW-ZNMIVQPWSA-N 2 2 333.480 1.968 20 0 EDADLP CO[C@@]1(C)C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000662091281 452833872 /nfs/dbraw/zinc/83/38/72/452833872.db2.gz WFSLRVWZFYJOSF-OANLFCKJSA-N 2 2 336.480 1.116 20 0 EDADLP CO[C@@]1(C)C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000662091281 452833879 /nfs/dbraw/zinc/83/38/79/452833879.db2.gz WFSLRVWZFYJOSF-OANLFCKJSA-N 2 2 336.480 1.116 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1[nH+]ccn1C ZINC000662097639 452840504 /nfs/dbraw/zinc/84/05/04/452840504.db2.gz CLENAVJAMIKYNG-NWANDNLSSA-N 2 2 335.452 1.158 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCOCC1 ZINC000648166801 452878285 /nfs/dbraw/zinc/87/82/85/452878285.db2.gz UXVOBWHEOLZVBY-OWCLPIDISA-N 2 2 334.464 1.862 20 0 EDADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000648174295 452885394 /nfs/dbraw/zinc/88/53/94/452885394.db2.gz AIDWJJUQSVUKNT-LJIGWXMPSA-N 2 2 342.443 1.127 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664223744 452901051 /nfs/dbraw/zinc/90/10/51/452901051.db2.gz CDWYKXBLVVSVPP-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000664223744 452901057 /nfs/dbraw/zinc/90/10/57/452901057.db2.gz CDWYKXBLVVSVPP-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000664234750 452908826 /nfs/dbraw/zinc/90/88/26/452908826.db2.gz AFUKQYNGKHWMMO-AWEZNQCLSA-N 2 2 329.404 1.246 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000664234750 452908834 /nfs/dbraw/zinc/90/88/34/452908834.db2.gz AFUKQYNGKHWMMO-AWEZNQCLSA-N 2 2 329.404 1.246 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000664234750 452908841 /nfs/dbraw/zinc/90/88/41/452908841.db2.gz AFUKQYNGKHWMMO-AWEZNQCLSA-N 2 2 329.404 1.246 20 0 EDADLP CCc1cccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658426712 452953185 /nfs/dbraw/zinc/95/31/85/452953185.db2.gz HZWGPSVVWKGZHH-UHFFFAOYSA-N 2 2 334.464 1.187 20 0 EDADLP CCc1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658426712 452953195 /nfs/dbraw/zinc/95/31/95/452953195.db2.gz HZWGPSVVWKGZHH-UHFFFAOYSA-N 2 2 334.464 1.187 20 0 EDADLP CC(C)CO[C@@H](C)c1noc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662257758 452984469 /nfs/dbraw/zinc/98/44/69/452984469.db2.gz GEPQUOZKNUJYIN-UONOGXRCSA-N 2 2 338.452 1.756 20 0 EDADLP CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662257758 452984474 /nfs/dbraw/zinc/98/44/74/452984474.db2.gz GEPQUOZKNUJYIN-UONOGXRCSA-N 2 2 338.452 1.756 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc2c(s1)CCC2 ZINC000664331152 453007491 /nfs/dbraw/zinc/00/74/91/453007491.db2.gz PZXWFFOZQGLGTB-UHFFFAOYSA-N 2 2 325.482 1.637 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc2c(s1)CCC2 ZINC000664331152 453007496 /nfs/dbraw/zinc/00/74/96/453007496.db2.gz PZXWFFOZQGLGTB-UHFFFAOYSA-N 2 2 325.482 1.637 20 0 EDADLP COCC1(C(=O)NCCNc2ccc3ccccc3[nH+]2)CC[NH2+]CC1 ZINC000646033518 453031304 /nfs/dbraw/zinc/03/13/04/453031304.db2.gz KAMXIJQFHTXFEJ-UHFFFAOYSA-N 2 2 342.443 1.779 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646051501 453059613 /nfs/dbraw/zinc/05/96/13/453059613.db2.gz WHAIDWSZQKLPCO-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646051501 453059625 /nfs/dbraw/zinc/05/96/25/453059625.db2.gz WHAIDWSZQKLPCO-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646051501 453059634 /nfs/dbraw/zinc/05/96/34/453059634.db2.gz WHAIDWSZQKLPCO-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646051501 453059642 /nfs/dbraw/zinc/05/96/42/453059642.db2.gz WHAIDWSZQKLPCO-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+](Cc2cccnc2)CC1 ZINC000662365090 453075877 /nfs/dbraw/zinc/07/58/77/453075877.db2.gz UXXJGHGAPJKPGD-IBGZPJMESA-N 2 2 336.439 1.960 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000658531934 453085721 /nfs/dbraw/zinc/08/57/21/453085721.db2.gz JFCMZAPLEYFBHV-LSDHHAIUSA-N 2 2 347.463 1.036 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000658531934 453085733 /nfs/dbraw/zinc/08/57/33/453085733.db2.gz JFCMZAPLEYFBHV-LSDHHAIUSA-N 2 2 347.463 1.036 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967989 453086816 /nfs/dbraw/zinc/08/68/16/453086816.db2.gz LMVOTFHVXKTQHE-QMCVQRASSA-N 2 2 333.476 1.229 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967989 453086821 /nfs/dbraw/zinc/08/68/21/453086821.db2.gz LMVOTFHVXKTQHE-QMCVQRASSA-N 2 2 333.476 1.229 20 0 EDADLP CC[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000652908831 453091649 /nfs/dbraw/zinc/09/16/49/453091649.db2.gz LLTALWGIQZKZHQ-HOTGVXAUSA-N 2 2 337.468 1.273 20 0 EDADLP CC[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000652908831 453091660 /nfs/dbraw/zinc/09/16/60/453091660.db2.gz LLTALWGIQZKZHQ-HOTGVXAUSA-N 2 2 337.468 1.273 20 0 EDADLP Cc1ccoc1CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644161259 453091942 /nfs/dbraw/zinc/09/19/42/453091942.db2.gz GFBMHCVTYQIIGC-OAHLLOKOSA-N 2 2 334.464 1.898 20 0 EDADLP Cc1ccoc1CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644161259 453091946 /nfs/dbraw/zinc/09/19/46/453091946.db2.gz GFBMHCVTYQIIGC-OAHLLOKOSA-N 2 2 334.464 1.898 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662387184 453096902 /nfs/dbraw/zinc/09/69/02/453096902.db2.gz IWHONQOJBNCQPJ-YOEHRIQHSA-N 2 2 331.460 1.516 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(C)[nH+]1 ZINC000656340638 453101465 /nfs/dbraw/zinc/10/14/65/453101465.db2.gz RPCBKLADSDZSBM-DLBZAZTESA-N 2 2 344.459 1.448 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc(C)[nH+]1 ZINC000656340638 453101471 /nfs/dbraw/zinc/10/14/71/453101471.db2.gz RPCBKLADSDZSBM-DLBZAZTESA-N 2 2 344.459 1.448 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000664474837 453127574 /nfs/dbraw/zinc/12/75/74/453127574.db2.gz KKFAHCNDPJBHJO-JKSUJKDBSA-N 2 2 335.452 1.319 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000664474837 453127583 /nfs/dbraw/zinc/12/75/83/453127583.db2.gz KKFAHCNDPJBHJO-JKSUJKDBSA-N 2 2 335.452 1.319 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc(Cl)c1OCC(N)=O ZINC000666769664 453133767 /nfs/dbraw/zinc/13/37/67/453133767.db2.gz AHZVNYYDPIBGAL-LBPRGKRZSA-N 2 2 341.839 1.444 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000660283848 453173633 /nfs/dbraw/zinc/17/36/33/453173633.db2.gz MERRMOOWNYQVHT-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H]1CCO ZINC000664538124 453178518 /nfs/dbraw/zinc/17/85/18/453178518.db2.gz YZMKWMPNSCENNS-RDJZCZTQSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC/C=C\C[NH3+])C[C@@H](C)O1 ZINC000666841345 453184273 /nfs/dbraw/zinc/18/42/73/453184273.db2.gz NNKLTCDDZSHQNA-JBZXTQMFSA-N 2 2 332.448 1.932 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648717672 453207312 /nfs/dbraw/zinc/20/73/12/453207312.db2.gz NMYSIKWWOAWAQZ-SJLPKXTDSA-N 2 2 345.487 1.988 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648717672 453207318 /nfs/dbraw/zinc/20/73/18/453207318.db2.gz NMYSIKWWOAWAQZ-SJLPKXTDSA-N 2 2 345.487 1.988 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000662512813 453230953 /nfs/dbraw/zinc/23/09/53/453230953.db2.gz WHJSJLKMXAHWSO-HRCADAONSA-N 2 2 339.867 1.954 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000662512813 453230970 /nfs/dbraw/zinc/23/09/70/453230970.db2.gz WHJSJLKMXAHWSO-HRCADAONSA-N 2 2 339.867 1.954 20 0 EDADLP COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653061642 453238012 /nfs/dbraw/zinc/23/80/12/453238012.db2.gz XFVAIFMDDGHOLB-JKSUJKDBSA-N 2 2 335.448 1.646 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662526507 453246449 /nfs/dbraw/zinc/24/64/49/453246449.db2.gz GBXFUHOJOVLMIH-INIZCTEOSA-N 2 2 336.480 1.947 20 0 EDADLP CC[C@@H]1CN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CC[C@H]1[NH3+] ZINC000646234957 453247808 /nfs/dbraw/zinc/24/78/08/453247808.db2.gz WWHYYZWVCLSXAQ-GDBMZVCRSA-N 2 2 329.448 1.954 20 0 EDADLP CN(CCCOc1cccc(Cl)c1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653075229 453254767 /nfs/dbraw/zinc/25/47/67/453254767.db2.gz KFDRHUVTNYMQSC-HNNXBMFYSA-N 2 2 327.856 1.846 20 0 EDADLP CC(C)c1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n(-c2ncccn2)n1 ZINC000653088045 453270678 /nfs/dbraw/zinc/27/06/78/453270678.db2.gz PDXSPSJRZOGZOD-LBPRGKRZSA-N 2 2 331.424 1.003 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc[nH+]1 ZINC000664632602 453270896 /nfs/dbraw/zinc/27/08/96/453270896.db2.gz SIBFIQRSASYPMX-ZBFHGGJFSA-N 2 2 327.432 1.956 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc[nH+]1 ZINC000664632602 453270903 /nfs/dbraw/zinc/27/09/03/453270903.db2.gz SIBFIQRSASYPMX-ZBFHGGJFSA-N 2 2 327.432 1.956 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646265224 453271668 /nfs/dbraw/zinc/27/16/68/453271668.db2.gz OYCPQKRPMSFXCC-JKSUJKDBSA-N 2 2 340.431 1.211 20 0 EDADLP Cc1cc(C)n(-c2ccccc2CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653099126 453282066 /nfs/dbraw/zinc/28/20/66/453282066.db2.gz GEEZYKXXKBSVFO-INIZCTEOSA-N 2 2 329.448 1.384 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000653112328 453300494 /nfs/dbraw/zinc/30/04/94/453300494.db2.gz VMYVTHHWTVBORS-SFHVURJKSA-N 3 2 332.492 1.933 20 0 EDADLP O=c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nc2ccccn12 ZINC000660473354 453334674 /nfs/dbraw/zinc/33/46/74/453334674.db2.gz GLKHNVWHGUHJKK-QGZVFWFLSA-N 2 2 342.443 1.381 20 0 EDADLP O=c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nc2ccccn12 ZINC000660473354 453334679 /nfs/dbraw/zinc/33/46/79/453334679.db2.gz GLKHNVWHGUHJKK-QGZVFWFLSA-N 2 2 342.443 1.381 20 0 EDADLP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c2)CC1 ZINC000653156285 453347534 /nfs/dbraw/zinc/34/75/34/453347534.db2.gz XBALYKVFBKXJKM-SFHVURJKSA-N 3 2 347.507 1.435 20 0 EDADLP Cn1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)c(-c2cc3ccccc3o2)n1 ZINC000667035045 453352226 /nfs/dbraw/zinc/35/22/26/453352226.db2.gz LQQIKHWWXARVNN-OAHLLOKOSA-N 2 2 326.400 1.911 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000648934076 453412882 /nfs/dbraw/zinc/41/28/82/453412882.db2.gz BNMQKDYLINEQQO-OAHLLOKOSA-N 2 2 336.480 1.966 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000662702868 453423776 /nfs/dbraw/zinc/42/37/76/453423776.db2.gz CJZXZWBAXVJRHW-HNNXBMFYSA-N 2 2 331.460 1.891 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc4n(n3)CCC4)[nH+]c2)C1 ZINC000656770608 453443655 /nfs/dbraw/zinc/44/36/55/453443655.db2.gz JDDGDKIPUGRSQR-KRWDZBQOSA-N 2 2 326.448 1.977 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000667180378 453456233 /nfs/dbraw/zinc/45/62/33/453456233.db2.gz NSKUQKYUTSQBOA-QXSJWSMHSA-N 2 2 346.475 1.615 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000667180378 453456238 /nfs/dbraw/zinc/45/62/38/453456238.db2.gz NSKUQKYUTSQBOA-QXSJWSMHSA-N 2 2 346.475 1.615 20 0 EDADLP COc1ccc(CN2CC[C@@H]([N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2=O)cc1 ZINC000660616574 453457175 /nfs/dbraw/zinc/45/71/75/453457175.db2.gz NLTUICPNESXGNW-UYAOXDASSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(CN2CC[C@@H]([N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2=O)cc1 ZINC000660616574 453457184 /nfs/dbraw/zinc/45/71/84/453457184.db2.gz NLTUICPNESXGNW-UYAOXDASSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)C2=O)cc1 ZINC000660616574 453457191 /nfs/dbraw/zinc/45/71/91/453457191.db2.gz NLTUICPNESXGNW-UYAOXDASSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)C2=O)cc1 ZINC000660616574 453457195 /nfs/dbraw/zinc/45/71/95/453457195.db2.gz NLTUICPNESXGNW-UYAOXDASSA-N 2 2 343.471 1.824 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662732423 453459913 /nfs/dbraw/zinc/45/99/13/453459913.db2.gz BVXRPICGSZVDNI-NVXWUHKLSA-N 2 2 345.491 1.096 20 0 EDADLP CSc1cccnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651322449 453469103 /nfs/dbraw/zinc/46/91/03/453469103.db2.gz RIELIUHMZVCWBN-ZDUSSCGKSA-N 2 2 334.489 1.702 20 0 EDADLP CSc1cccnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651322449 453469110 /nfs/dbraw/zinc/46/91/10/453469110.db2.gz RIELIUHMZVCWBN-ZDUSSCGKSA-N 2 2 334.489 1.702 20 0 EDADLP C[C@H]1CCCc2ncc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)n21 ZINC000651332683 453477488 /nfs/dbraw/zinc/47/74/88/453477488.db2.gz FKDMJBBCRAGWGV-HNNXBMFYSA-N 2 2 347.507 1.878 20 0 EDADLP C[C@H]1CCCc2ncc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)n21 ZINC000651332683 453477493 /nfs/dbraw/zinc/47/74/93/453477493.db2.gz FKDMJBBCRAGWGV-HNNXBMFYSA-N 2 2 347.507 1.878 20 0 EDADLP C[C@@H](c1ccccc1)n1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000667207201 453477893 /nfs/dbraw/zinc/47/78/93/453477893.db2.gz GCNVEYGNFGRWBV-GOEBONIOSA-N 2 2 342.447 1.599 20 0 EDADLP C[C@@H](c1ccccc1)n1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000667207201 453477903 /nfs/dbraw/zinc/47/79/03/453477903.db2.gz GCNVEYGNFGRWBV-GOEBONIOSA-N 2 2 342.447 1.599 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664928368 453491025 /nfs/dbraw/zinc/49/10/25/453491025.db2.gz ZHHKXNUTOWQITP-GJZGRUSLSA-N 2 2 347.463 1.163 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664928368 453491033 /nfs/dbraw/zinc/49/10/33/453491033.db2.gz ZHHKXNUTOWQITP-GJZGRUSLSA-N 2 2 347.463 1.163 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000651358464 453501445 /nfs/dbraw/zinc/50/14/45/453501445.db2.gz HUSKCGRDIDGVFO-HNNXBMFYSA-N 2 2 346.475 1.379 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664951904 453513015 /nfs/dbraw/zinc/51/30/15/453513015.db2.gz GIKYTJMGPRNOMA-OAHLLOKOSA-N 2 2 336.436 1.342 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]([NH3+])c3ccc(F)cc3F)CC2)cc[nH+]1 ZINC000662794929 453529521 /nfs/dbraw/zinc/52/95/21/453529521.db2.gz RNACVBLIVFMFPK-INIZCTEOSA-N 2 2 347.369 1.412 20 0 EDADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000662799013 453533088 /nfs/dbraw/zinc/53/30/88/453533088.db2.gz HSYZJIVTKYKOGJ-WMLDXEAASA-N 2 2 338.411 1.904 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)CC1 ZINC000655446365 453533336 /nfs/dbraw/zinc/53/33/36/453533336.db2.gz PTRQSVOEYPAEGJ-IEBWSBKVSA-N 3 2 334.508 1.051 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CC3([NH3+])CC3)c2)CC1 ZINC000662801510 453536391 /nfs/dbraw/zinc/53/63/91/453536391.db2.gz VVBBRTAZZJOZJD-UHFFFAOYSA-N 2 2 330.432 1.171 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850651 453570736 /nfs/dbraw/zinc/57/07/36/453570736.db2.gz RVFCICQERDGRSH-MLHJIOFPSA-N 2 2 329.444 1.226 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850651 453570740 /nfs/dbraw/zinc/57/07/40/453570740.db2.gz RVFCICQERDGRSH-MLHJIOFPSA-N 2 2 329.444 1.226 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850691 453571342 /nfs/dbraw/zinc/57/13/42/453571342.db2.gz SQQPZFXLCYTTMI-UHOSZYNNSA-N 2 2 343.471 1.488 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850691 453571345 /nfs/dbraw/zinc/57/13/45/453571345.db2.gz SQQPZFXLCYTTMI-UHOSZYNNSA-N 2 2 343.471 1.488 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662860445 453574692 /nfs/dbraw/zinc/57/46/92/453574692.db2.gz RXFVNJYNBJKWIE-SJORKVTESA-N 2 2 345.487 1.533 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662860445 453574697 /nfs/dbraw/zinc/57/46/97/453574697.db2.gz RXFVNJYNBJKWIE-SJORKVTESA-N 2 2 345.487 1.533 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000665355088 453663673 /nfs/dbraw/zinc/66/36/73/453663673.db2.gz JFQJLFWEZVIHOE-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000665355088 453663678 /nfs/dbraw/zinc/66/36/78/453663678.db2.gz JFQJLFWEZVIHOE-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665355088 453663682 /nfs/dbraw/zinc/66/36/82/453663682.db2.gz JFQJLFWEZVIHOE-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665355088 453663688 /nfs/dbraw/zinc/66/36/88/453663688.db2.gz JFQJLFWEZVIHOE-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1c[nH+]c[nH]1 ZINC000661089273 453711020 /nfs/dbraw/zinc/71/10/20/453711020.db2.gz ZZMMKWBHHMKUHZ-NVXWUHKLSA-N 2 2 341.459 1.621 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1c[nH+]c[nH]1 ZINC000661089273 453711024 /nfs/dbraw/zinc/71/10/24/453711024.db2.gz ZZMMKWBHHMKUHZ-NVXWUHKLSA-N 2 2 341.459 1.621 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1c[nH]c[nH+]1 ZINC000661089273 453711027 /nfs/dbraw/zinc/71/10/27/453711027.db2.gz ZZMMKWBHHMKUHZ-NVXWUHKLSA-N 2 2 341.459 1.621 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1c[nH]c[nH+]1 ZINC000661089273 453711030 /nfs/dbraw/zinc/71/10/30/453711030.db2.gz ZZMMKWBHHMKUHZ-NVXWUHKLSA-N 2 2 341.459 1.621 20 0 EDADLP O[C@H](C[NH2+]Cc1cnn2c1CCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000657306756 453762443 /nfs/dbraw/zinc/76/24/43/453762443.db2.gz VKKJBAZMGQJBRC-GOSISDBHSA-N 2 2 326.444 1.338 20 0 EDADLP O[C@H](C[NH2+]Cc1cnn2c1CCC2)C[N@H+]1CCc2ccccc2C1 ZINC000657306756 453762446 /nfs/dbraw/zinc/76/24/46/453762446.db2.gz VKKJBAZMGQJBRC-GOSISDBHSA-N 2 2 326.444 1.338 20 0 EDADLP O=S(=O)(CC[NH2+]Cc1c[nH+]c2n1CCC2)NCc1ccccc1 ZINC000657331421 453766567 /nfs/dbraw/zinc/76/65/67/453766567.db2.gz CFVWIGQRWSSBSN-UHFFFAOYSA-N 2 2 334.445 1.039 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657401871 453782153 /nfs/dbraw/zinc/78/21/53/453782153.db2.gz YTOIPCYHDSAMLP-RTBURBONSA-N 3 2 341.459 1.735 20 0 EDADLP CC1(O)CCN(c2cc(N3CC[C@@H]([NH+]4CCCC4)C3)nc[nH+]2)CC1 ZINC000663528003 453816657 /nfs/dbraw/zinc/81/66/57/453816657.db2.gz CPONIDSQINGAMK-OAHLLOKOSA-N 2 2 331.464 1.502 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000676131119 486674313 /nfs/dbraw/zinc/67/43/13/486674313.db2.gz NRFAWFOSRCHJOA-HOTGVXAUSA-N 2 2 343.431 1.834 20 0 EDADLP Cc1ccncc1[C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000679941961 486677829 /nfs/dbraw/zinc/67/78/29/486677829.db2.gz IECINNZEASEOJM-HNNXBMFYSA-N 2 2 334.464 1.268 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCC1 ZINC000672330638 486695495 /nfs/dbraw/zinc/69/54/95/486695495.db2.gz OSNZQTHOERTEIY-MRXNPFEDSA-N 2 2 347.463 1.037 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C1CCCC1 ZINC000672330638 486695497 /nfs/dbraw/zinc/69/54/97/486695497.db2.gz OSNZQTHOERTEIY-MRXNPFEDSA-N 2 2 347.463 1.037 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000676233973 486698832 /nfs/dbraw/zinc/69/88/32/486698832.db2.gz YZZZXQZETRJETP-UHFFFAOYSA-N 2 2 346.475 1.182 20 0 EDADLP CN(C)c1cc[nH+]c(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000680258015 486732515 /nfs/dbraw/zinc/73/25/15/486732515.db2.gz GFZBTPCMKZEGMB-UHFFFAOYSA-N 2 2 340.431 1.547 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680328851 486751503 /nfs/dbraw/zinc/75/15/03/486751503.db2.gz JPFOPYQCMTZWBQ-DLBZAZTESA-N 2 2 332.473 1.965 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000576100000 486763551 /nfs/dbraw/zinc/76/35/51/486763551.db2.gz BVRXQWUOJXIYNG-INIZCTEOSA-N 2 2 333.432 1.481 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000576100000 486763556 /nfs/dbraw/zinc/76/35/56/486763556.db2.gz BVRXQWUOJXIYNG-INIZCTEOSA-N 2 2 333.432 1.481 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000672695618 486766006 /nfs/dbraw/zinc/76/60/06/486766006.db2.gz NHHOIQJHVLZXDC-GJZGRUSLSA-N 2 2 347.463 1.454 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c[nH+]2)CCO1 ZINC000416989558 486790663 /nfs/dbraw/zinc/79/06/63/486790663.db2.gz ORYLGHXNWBEFMH-BMFZPTHFSA-N 2 2 347.463 1.376 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@@H]2O)([NH+]2CCCCC2)CC1 ZINC000074767329 486797891 /nfs/dbraw/zinc/79/78/91/486797891.db2.gz PBJJZFKTURWAQF-HOTGVXAUSA-N 2 2 338.496 1.149 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000680611066 486829288 /nfs/dbraw/zinc/82/92/88/486829288.db2.gz ZIBFBJYOWPJCNT-MRXNPFEDSA-N 2 2 346.479 1.491 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)C2 ZINC000683909909 486862031 /nfs/dbraw/zinc/86/20/31/486862031.db2.gz YYILEGXQFIJQBI-GOSISDBHSA-N 2 2 342.487 1.139 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000683910829 486863463 /nfs/dbraw/zinc/86/34/63/486863463.db2.gz WEDIWFABTGXJQB-SFHVURJKSA-N 2 2 328.416 1.401 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667635193 486889822 /nfs/dbraw/zinc/88/98/22/486889822.db2.gz LECOSZSMGYQQMV-UONOGXRCSA-N 2 2 346.431 1.267 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000677054195 486966371 /nfs/dbraw/zinc/96/63/71/486966371.db2.gz QXHXVIAMWHOWEW-HOCLYGCPSA-N 2 2 331.464 1.690 20 0 EDADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000673666553 487082651 /nfs/dbraw/zinc/08/26/51/487082651.db2.gz FKNDXLFPGBLBOK-SFHVURJKSA-N 2 2 343.471 1.733 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000673666553 487082655 /nfs/dbraw/zinc/08/26/55/487082655.db2.gz FKNDXLFPGBLBOK-SFHVURJKSA-N 2 2 343.471 1.733 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000684526932 487088628 /nfs/dbraw/zinc/08/86/28/487088628.db2.gz PAHDWTPWWVJIBI-UHFFFAOYSA-N 2 2 329.404 1.416 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000673683899 487092250 /nfs/dbraw/zinc/09/22/50/487092250.db2.gz LHYKVMDUCMHHFC-IAGOWNOFSA-N 2 2 342.443 1.541 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000673683899 487092254 /nfs/dbraw/zinc/09/22/54/487092254.db2.gz LHYKVMDUCMHHFC-IAGOWNOFSA-N 2 2 342.443 1.541 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)CC2)C1 ZINC000684624653 487118241 /nfs/dbraw/zinc/11/82/41/487118241.db2.gz WJZWZCSKHPVPNX-CQSZACIVSA-N 2 2 333.423 1.191 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)CC2)C1 ZINC000684624653 487118245 /nfs/dbraw/zinc/11/82/45/487118245.db2.gz WJZWZCSKHPVPNX-CQSZACIVSA-N 2 2 333.423 1.191 20 0 EDADLP Cc1cn2ccc(NC(=O)NCC(C)(C)[NH+]3CCOCC3)cc2[nH+]1 ZINC000668151226 487120836 /nfs/dbraw/zinc/12/08/36/487120836.db2.gz XAYRWSCZUUHVAK-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP CCO[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000677579603 487124152 /nfs/dbraw/zinc/12/41/52/487124152.db2.gz TWBLDIVLCYZPTJ-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)cc2[nH+]1 ZINC000668167442 487127777 /nfs/dbraw/zinc/12/77/77/487127777.db2.gz ACEORMYQEHHNST-CYBMUJFWSA-N 2 2 344.419 1.226 20 0 EDADLP Cc1csc(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000674028427 487186175 /nfs/dbraw/zinc/18/61/75/487186175.db2.gz IPDCHUZNIPSCFR-UHFFFAOYSA-N 2 2 339.509 1.319 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000674032378 487188589 /nfs/dbraw/zinc/18/85/89/487188589.db2.gz TVYQQOYXHKDGPQ-OAHLLOKOSA-N 3 2 339.528 1.042 20 0 EDADLP C[C@@H](Cc1ccncc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674160864 487209441 /nfs/dbraw/zinc/20/94/41/487209441.db2.gz ZDNBMTDNBSIZHP-DOTOQJQBSA-N 2 2 345.491 1.480 20 0 EDADLP C[C@@H](Cc1ccncc1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674160864 487209444 /nfs/dbraw/zinc/20/94/44/487209444.db2.gz ZDNBMTDNBSIZHP-DOTOQJQBSA-N 2 2 345.491 1.480 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000674192157 487213720 /nfs/dbraw/zinc/21/37/20/487213720.db2.gz SZTIZQXIFYASSK-HNNXBMFYSA-N 2 2 341.415 1.236 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000674192157 487213724 /nfs/dbraw/zinc/21/37/24/487213724.db2.gz SZTIZQXIFYASSK-HNNXBMFYSA-N 2 2 341.415 1.236 20 0 EDADLP CN(C)c1ncc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000685457602 487278136 /nfs/dbraw/zinc/27/81/36/487278136.db2.gz GIYNDZQBBHSDQA-HNNXBMFYSA-N 2 2 337.537 1.809 20 0 EDADLP CN(C)c1ncc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000685457602 487278139 /nfs/dbraw/zinc/27/81/39/487278139.db2.gz GIYNDZQBBHSDQA-HNNXBMFYSA-N 2 2 337.537 1.809 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(NS(C)(=O)=O)c2)CC[N@@H+]1C ZINC000678277878 487279668 /nfs/dbraw/zinc/27/96/68/487279668.db2.gz GFKFDVDIBDGBPG-CZUORRHYSA-N 2 2 325.478 1.973 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(NS(C)(=O)=O)c2)CC[N@H+]1C ZINC000678277878 487279669 /nfs/dbraw/zinc/27/96/69/487279669.db2.gz GFKFDVDIBDGBPG-CZUORRHYSA-N 2 2 325.478 1.973 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)CC[NH+]1C ZINC000678277878 487279672 /nfs/dbraw/zinc/27/96/72/487279672.db2.gz GFKFDVDIBDGBPG-CZUORRHYSA-N 2 2 325.478 1.973 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)CC[NH+]1C ZINC000678277878 487279673 /nfs/dbraw/zinc/27/96/73/487279673.db2.gz GFKFDVDIBDGBPG-CZUORRHYSA-N 2 2 325.478 1.973 20 0 EDADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000685722470 487315156 /nfs/dbraw/zinc/31/51/56/487315156.db2.gz FPZNHDQWUFTIJE-KRWDZBQOSA-N 2 2 344.459 1.128 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000685722470 487315160 /nfs/dbraw/zinc/31/51/60/487315160.db2.gz FPZNHDQWUFTIJE-KRWDZBQOSA-N 2 2 344.459 1.128 20 0 EDADLP CN(Cc1cnc2ccccn12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678720278 487356760 /nfs/dbraw/zinc/35/67/60/487356760.db2.gz VBJPCSIMKDFTKN-QGZVFWFLSA-N 2 2 327.476 1.935 20 0 EDADLP CN(Cc1cnc2ccccn12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678720278 487356763 /nfs/dbraw/zinc/35/67/63/487356763.db2.gz VBJPCSIMKDFTKN-QGZVFWFLSA-N 2 2 327.476 1.935 20 0 EDADLP CC(C)(C)OCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000682767020 487412721 /nfs/dbraw/zinc/41/27/21/487412721.db2.gz GKFYLRVNEBKBDM-INIZCTEOSA-N 2 2 325.497 1.996 20 0 EDADLP CC(C)(C)OCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000682767020 487412725 /nfs/dbraw/zinc/41/27/25/487412725.db2.gz GKFYLRVNEBKBDM-INIZCTEOSA-N 2 2 325.497 1.996 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000675691748 487435568 /nfs/dbraw/zinc/43/55/68/487435568.db2.gz JGPDLSTVFCPNIB-QGZVFWFLSA-N 2 2 326.444 1.909 20 0 EDADLP COc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1SC ZINC000675782276 487443577 /nfs/dbraw/zinc/44/35/77/487443577.db2.gz PYAFUNBXZGWXQS-ZDUSSCGKSA-N 2 2 337.489 1.842 20 0 EDADLP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000675913421 487459306 /nfs/dbraw/zinc/45/93/06/487459306.db2.gz UGPKUZNBBUCIKG-HIFRSBDPSA-N 2 2 329.510 1.404 20 0 EDADLP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000675913421 487459308 /nfs/dbraw/zinc/45/93/08/487459308.db2.gz UGPKUZNBBUCIKG-HIFRSBDPSA-N 2 2 329.510 1.404 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324370796 485547715 /nfs/dbraw/zinc/54/77/15/485547715.db2.gz KQABODJQQYBECD-SJORKVTESA-N 2 2 331.460 1.775 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324370796 485547723 /nfs/dbraw/zinc/54/77/23/485547723.db2.gz KQABODJQQYBECD-SJORKVTESA-N 2 2 331.460 1.775 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669021385 485568108 /nfs/dbraw/zinc/56/81/08/485568108.db2.gz YBYCJQYVIXYERI-SJORKVTESA-N 2 2 343.475 1.965 20 0 EDADLP Cc1ccc(SC[C@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000669563129 485572465 /nfs/dbraw/zinc/57/24/65/485572465.db2.gz VSRMBNMCVPQOEY-LSDHHAIUSA-N 2 2 336.505 1.760 20 0 EDADLP Cc1ccc(SC[C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000669563129 485572467 /nfs/dbraw/zinc/57/24/67/485572467.db2.gz VSRMBNMCVPQOEY-LSDHHAIUSA-N 2 2 336.505 1.760 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000668406118 485709006 /nfs/dbraw/zinc/70/90/06/485709006.db2.gz FUKNOPITPYVWKY-HZPDHXFCSA-N 2 2 327.432 1.509 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCOC(C)(C)C)C1 ZINC000676042858 485903809 /nfs/dbraw/zinc/90/38/09/485903809.db2.gz FKUJZVXJJDESRH-INIZCTEOSA-N 2 2 343.512 1.206 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCOC(C)(C)C)C1 ZINC000676042858 485903814 /nfs/dbraw/zinc/90/38/14/485903814.db2.gz FKUJZVXJJDESRH-INIZCTEOSA-N 2 2 343.512 1.206 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCOC(C)(C)C)C1 ZINC000676042858 485903823 /nfs/dbraw/zinc/90/38/23/485903823.db2.gz FKUJZVXJJDESRH-INIZCTEOSA-N 2 2 343.512 1.206 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000236913004 485945258 /nfs/dbraw/zinc/94/52/58/485945258.db2.gz SMXPJRFTOOZOOQ-BGTYHANMSA-N 2 2 331.460 1.472 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000236913004 485945261 /nfs/dbraw/zinc/94/52/61/485945261.db2.gz SMXPJRFTOOZOOQ-BGTYHANMSA-N 2 2 331.460 1.472 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC4(CCO4)CC3)C2)CC1 ZINC000669650076 485978267 /nfs/dbraw/zinc/97/82/67/485978267.db2.gz YTWWJNRHXHXXSF-HNNXBMFYSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC4(CCO4)CC3)C2)CC1 ZINC000669650076 485978271 /nfs/dbraw/zinc/97/82/71/485978271.db2.gz YTWWJNRHXHXXSF-HNNXBMFYSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668666964 486017033 /nfs/dbraw/zinc/01/70/33/486017033.db2.gz PIYYSWZRYUHGQY-HNNXBMFYSA-N 3 2 335.496 1.247 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668666964 486017040 /nfs/dbraw/zinc/01/70/40/486017040.db2.gz PIYYSWZRYUHGQY-HNNXBMFYSA-N 3 2 335.496 1.247 20 0 EDADLP COc1cc(CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC000668690192 486052288 /nfs/dbraw/zinc/05/22/88/486052288.db2.gz UZZHMRGJHLVOFK-UHFFFAOYSA-N 2 2 338.452 1.100 20 0 EDADLP COc1cc(CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC000668690192 486052293 /nfs/dbraw/zinc/05/22/93/486052293.db2.gz UZZHMRGJHLVOFK-UHFFFAOYSA-N 2 2 338.452 1.100 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H]1CCCC[NH2+]1 ZINC000669413146 486117964 /nfs/dbraw/zinc/11/79/64/486117964.db2.gz OHSOKRKJNLEVOD-CQSZACIVSA-N 2 2 331.395 1.953 20 0 EDADLP C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669424614 486145616 /nfs/dbraw/zinc/14/56/16/486145616.db2.gz JOPVVBWZTMCPAC-UKRRQHHQSA-N 2 2 348.447 1.021 20 0 EDADLP C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669424614 486145625 /nfs/dbraw/zinc/14/56/25/486145625.db2.gz JOPVVBWZTMCPAC-UKRRQHHQSA-N 2 2 348.447 1.021 20 0 EDADLP COc1cc2c(cc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)OCO2 ZINC000668784492 486193198 /nfs/dbraw/zinc/19/31/98/486193198.db2.gz DKZVRINOJUOHOU-HNNXBMFYSA-N 2 2 336.432 1.967 20 0 EDADLP COc1cc2c(cc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)OCO2 ZINC000668784492 486193203 /nfs/dbraw/zinc/19/32/03/486193203.db2.gz DKZVRINOJUOHOU-HNNXBMFYSA-N 2 2 336.432 1.967 20 0 EDADLP Cc1cc(C)n2c(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)cnc2n1 ZINC000668785762 486194997 /nfs/dbraw/zinc/19/49/97/486194997.db2.gz WWNZNWVNKALCLX-QGZVFWFLSA-N 2 2 331.464 1.889 20 0 EDADLP Cc1cc(C)n2c(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)cnc2n1 ZINC000668785762 486195001 /nfs/dbraw/zinc/19/50/01/486195001.db2.gz WWNZNWVNKALCLX-QGZVFWFLSA-N 2 2 331.464 1.889 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669484228 486250080 /nfs/dbraw/zinc/25/00/80/486250080.db2.gz KTEXSGLQCHJRIS-ZMSDIMECSA-N 3 2 337.512 1.066 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669484228 486250085 /nfs/dbraw/zinc/25/00/85/486250085.db2.gz KTEXSGLQCHJRIS-ZMSDIMECSA-N 3 2 337.512 1.066 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC/C=C/C[NH3+])c1ccc(Cl)cc1 ZINC000668852890 486261093 /nfs/dbraw/zinc/26/10/93/486261093.db2.gz JZTHCKGNJJAEIT-BAABZTOOSA-N 2 2 333.823 1.977 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672155221 486602241 /nfs/dbraw/zinc/60/22/41/486602241.db2.gz ZSVAOOCQJJXJIT-MRXNPFEDSA-N 2 2 335.411 1.802 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000660909166 486645691 /nfs/dbraw/zinc/64/56/91/486645691.db2.gz IPAZVTHOEMBCBK-ZNMIVQPWSA-N 2 2 335.452 1.424 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000123993314 491208528 /nfs/dbraw/zinc/20/85/28/491208528.db2.gz MKERRRWJLUYAQV-WDSOQIARSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000123993314 491208529 /nfs/dbraw/zinc/20/85/29/491208529.db2.gz MKERRRWJLUYAQV-WDSOQIARSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000123993314 491208531 /nfs/dbraw/zinc/20/85/31/491208531.db2.gz MKERRRWJLUYAQV-WDSOQIARSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000123993314 491208534 /nfs/dbraw/zinc/20/85/34/491208534.db2.gz MKERRRWJLUYAQV-WDSOQIARSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000134983218 491227201 /nfs/dbraw/zinc/22/72/01/491227201.db2.gz DNEPTKZCXNPJQS-RHSMWYFYSA-N 2 2 328.416 1.380 20 0 EDADLP C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000134983218 491227203 /nfs/dbraw/zinc/22/72/03/491227203.db2.gz DNEPTKZCXNPJQS-RHSMWYFYSA-N 2 2 328.416 1.380 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)n1C ZINC000578338238 491001479 /nfs/dbraw/zinc/00/14/79/491001479.db2.gz ARRHMGOSRCRBRK-KRWDZBQOSA-N 2 2 327.388 1.073 20 0 EDADLP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(SC)cc1OC ZINC000131341381 533881521 /nfs/dbraw/zinc/88/15/21/533881521.db2.gz SUWQNDHHGQEVFF-MRXNPFEDSA-N 2 2 328.478 1.828 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000186844160 534687957 /nfs/dbraw/zinc/68/79/57/534687957.db2.gz WUHXYLIPXXWQIA-UHFFFAOYSA-N 2 2 345.447 1.366 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000186844160 534687964 /nfs/dbraw/zinc/68/79/64/534687964.db2.gz WUHXYLIPXXWQIA-UHFFFAOYSA-N 2 2 345.447 1.366 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158601739 527064323 /nfs/dbraw/zinc/06/43/23/527064323.db2.gz KJRRTSLEINZFHH-CRAIPNDOSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158601739 527064327 /nfs/dbraw/zinc/06/43/27/527064327.db2.gz KJRRTSLEINZFHH-CRAIPNDOSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158601739 527064331 /nfs/dbraw/zinc/06/43/31/527064331.db2.gz KJRRTSLEINZFHH-CRAIPNDOSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158601739 527064335 /nfs/dbraw/zinc/06/43/35/527064335.db2.gz KJRRTSLEINZFHH-CRAIPNDOSA-N 2 2 344.459 2.000 20 0 EDADLP CC(C)(CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000174113567 527120099 /nfs/dbraw/zinc/12/00/99/527120099.db2.gz ZTTCTFJIUGGYTC-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000076309051 535120298 /nfs/dbraw/zinc/12/02/98/535120298.db2.gz DCCZOJAIILPBKS-INIZCTEOSA-N 2 2 334.464 1.557 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000346813207 535266735 /nfs/dbraw/zinc/26/67/35/535266735.db2.gz HBUPDSXCDGEHEU-DLBZAZTESA-N 2 2 338.496 1.365 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000346813207 535266741 /nfs/dbraw/zinc/26/67/41/535266741.db2.gz HBUPDSXCDGEHEU-DLBZAZTESA-N 2 2 338.496 1.365 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C[C@@H]1CC ZINC000262674298 535602226 /nfs/dbraw/zinc/60/22/26/535602226.db2.gz SWDAVUDSDSCRTB-ZWKOTPCHSA-N 2 2 333.476 1.954 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C[C@@H]1CC ZINC000262674298 535602233 /nfs/dbraw/zinc/60/22/33/535602233.db2.gz SWDAVUDSDSCRTB-ZWKOTPCHSA-N 2 2 333.476 1.954 20 0 EDADLP CCCn1nccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000068632327 535635687 /nfs/dbraw/zinc/63/56/87/535635687.db2.gz CULZMXWQVANRBX-UHFFFAOYSA-N 2 2 336.484 1.783 20 0 EDADLP CCCn1nccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000068632327 535635694 /nfs/dbraw/zinc/63/56/94/535635694.db2.gz CULZMXWQVANRBX-UHFFFAOYSA-N 2 2 336.484 1.783 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)C2)CC1 ZINC000245933969 535733759 /nfs/dbraw/zinc/73/37/59/535733759.db2.gz RNYMHXRNZZQMKA-KZNAEPCWSA-N 2 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)C2)CC1 ZINC000245933969 535733763 /nfs/dbraw/zinc/73/37/63/535733763.db2.gz RNYMHXRNZZQMKA-KZNAEPCWSA-N 2 2 336.524 1.203 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000271825301 535990041 /nfs/dbraw/zinc/99/00/41/535990041.db2.gz SUXLWAFWYVYDRO-UHFFFAOYSA-N 2 2 333.411 1.962 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cn2)CC1 ZINC000092043444 536426511 /nfs/dbraw/zinc/42/65/11/536426511.db2.gz VDLZKZXMLGKWKU-MSOLQXFVSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cn2)CC1 ZINC000092043444 536426515 /nfs/dbraw/zinc/42/65/15/536426515.db2.gz VDLZKZXMLGKWKU-MSOLQXFVSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cn2)CC1 ZINC000092043444 536426518 /nfs/dbraw/zinc/42/65/18/536426518.db2.gz VDLZKZXMLGKWKU-MSOLQXFVSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cn2)CC1 ZINC000092043444 536426520 /nfs/dbraw/zinc/42/65/20/536426520.db2.gz VDLZKZXMLGKWKU-MSOLQXFVSA-N 3 2 344.507 1.145 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000333036126 536443379 /nfs/dbraw/zinc/44/33/79/536443379.db2.gz NLIADVUHPDDNSA-RDJZCZTQSA-N 2 2 332.448 1.015 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000333036126 536443383 /nfs/dbraw/zinc/44/33/83/536443383.db2.gz NLIADVUHPDDNSA-RDJZCZTQSA-N 2 2 332.448 1.015 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000237242482 536447675 /nfs/dbraw/zinc/44/76/75/536447675.db2.gz PHPHJYJIFXUDBK-MLGOLLRUSA-N 2 2 346.431 1.498 20 0 EDADLP COC[C@]1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000261684272 536661714 /nfs/dbraw/zinc/66/17/14/536661714.db2.gz NAJXPPUSSHZYGD-SFHVURJKSA-N 2 2 333.432 1.083 20 0 EDADLP COCCOc1ccccc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000346332468 536735928 /nfs/dbraw/zinc/73/59/28/536735928.db2.gz UHVYHGPLEBDZGW-UHFFFAOYSA-N 2 2 330.432 1.731 20 0 EDADLP c1nc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000742370593 579450173 /nfs/dbraw/zinc/45/01/73/579450173.db2.gz CWHUYGAGDVIAPB-MRXNPFEDSA-N 2 2 331.464 1.814 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726258964 578340059 /nfs/dbraw/zinc/34/00/59/578340059.db2.gz ZCCKVZZTPCUIPK-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726258964 578340060 /nfs/dbraw/zinc/34/00/60/578340060.db2.gz ZCCKVZZTPCUIPK-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000726258964 578340061 /nfs/dbraw/zinc/34/00/61/578340061.db2.gz ZCCKVZZTPCUIPK-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000726258964 578340062 /nfs/dbraw/zinc/34/00/62/578340062.db2.gz ZCCKVZZTPCUIPK-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000729620042 578585267 /nfs/dbraw/zinc/58/52/67/578585267.db2.gz OZDFNSSJDQUFQN-LSDHHAIUSA-N 2 2 333.436 1.162 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000729921168 578599826 /nfs/dbraw/zinc/59/98/26/578599826.db2.gz ZPWDXXPYQOHLBM-CYBMUJFWSA-N 2 2 338.433 1.564 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000729921168 578599827 /nfs/dbraw/zinc/59/98/27/578599827.db2.gz ZPWDXXPYQOHLBM-CYBMUJFWSA-N 2 2 338.433 1.564 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCC[N@H+](CCCN2CCOC2=O)CC1 ZINC000729926865 578602379 /nfs/dbraw/zinc/60/23/79/578602379.db2.gz OORYOXMCALOEJJ-UHFFFAOYSA-N 2 2 349.479 1.814 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCC[N@@H+](CCCN2CCOC2=O)CC1 ZINC000729926865 578602380 /nfs/dbraw/zinc/60/23/80/578602380.db2.gz OORYOXMCALOEJJ-UHFFFAOYSA-N 2 2 349.479 1.814 20 0 EDADLP CN(C(=O)/C=C\C1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732659986 578722367 /nfs/dbraw/zinc/72/23/67/578722367.db2.gz ANIXBLHVQLRTLI-DDKKJVIOSA-N 2 2 335.492 1.596 20 0 EDADLP CN(C(=O)/C=C\C1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732659986 578722369 /nfs/dbraw/zinc/72/23/69/578722369.db2.gz ANIXBLHVQLRTLI-DDKKJVIOSA-N 2 2 335.492 1.596 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000734281113 578805134 /nfs/dbraw/zinc/80/51/34/578805134.db2.gz YPOBJVRALOYGBX-HNNXBMFYSA-N 2 2 347.463 1.131 20 0 EDADLP C[C@@H](Cc1ccco1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734267690 578805682 /nfs/dbraw/zinc/80/56/82/578805682.db2.gz AKNTWYBHUMKLKE-GJZGRUSLSA-N 2 2 334.464 1.678 20 0 EDADLP C[C@@H](Cc1ccco1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734267690 578805683 /nfs/dbraw/zinc/80/56/83/578805683.db2.gz AKNTWYBHUMKLKE-GJZGRUSLSA-N 2 2 334.464 1.678 20 0 EDADLP C[NH+](C)CCCNC(=S)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000734311063 578808636 /nfs/dbraw/zinc/80/86/36/578808636.db2.gz YLUJROPHFXCBOB-AWEZNQCLSA-N 2 2 344.475 1.983 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000735278321 578873399 /nfs/dbraw/zinc/87/33/99/578873399.db2.gz DLKQFOQNGPOASP-BHIYHBOVSA-N 2 2 347.503 1.839 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000735278321 578873401 /nfs/dbraw/zinc/87/34/01/578873401.db2.gz DLKQFOQNGPOASP-BHIYHBOVSA-N 2 2 347.503 1.839 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(Nc3cccc(-c4nn[nH]n4)n3)CC2)CC1 ZINC000736851198 579026484 /nfs/dbraw/zinc/02/64/84/579026484.db2.gz GUUDYBCHBIHPOE-UHFFFAOYSA-N 2 2 342.451 1.232 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(NCC[N@@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000737241642 579059213 /nfs/dbraw/zinc/05/92/13/579059213.db2.gz SSYYNOIMNOBLAO-UHFFFAOYSA-N 2 2 331.424 1.401 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(NCC[N@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000737241642 579059214 /nfs/dbraw/zinc/05/92/14/579059214.db2.gz SSYYNOIMNOBLAO-UHFFFAOYSA-N 2 2 331.424 1.401 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCCOCC3)cc2)CC1 ZINC000746386374 579591055 /nfs/dbraw/zinc/59/10/55/579591055.db2.gz OEOZNGIMAIOXAV-UHFFFAOYSA-N 2 2 346.475 1.489 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCCOCC3)cc2)CC1 ZINC000746386374 579591056 /nfs/dbraw/zinc/59/10/56/579591056.db2.gz OEOZNGIMAIOXAV-UHFFFAOYSA-N 2 2 346.475 1.489 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc2[nH+]ccn21 ZINC000747574449 579649489 /nfs/dbraw/zinc/64/94/89/579649489.db2.gz HOHYACMYADBUQO-IIAWOOMASA-N 2 2 328.416 1.658 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCNC(=S)NCC[NH+]1CCOCC1 ZINC000747748062 579656910 /nfs/dbraw/zinc/65/69/10/579656910.db2.gz DJKCHQFJSSRDSO-HNNXBMFYSA-N 2 2 328.526 1.047 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCNC(=S)NCC[NH+]1CCOCC1 ZINC000747748062 579656911 /nfs/dbraw/zinc/65/69/11/579656911.db2.gz DJKCHQFJSSRDSO-HNNXBMFYSA-N 2 2 328.526 1.047 20 0 EDADLP Cc1ccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c(N(C)C)[nH+]1 ZINC000750405258 579762109 /nfs/dbraw/zinc/76/21/09/579762109.db2.gz FOWZEHLBTHWHTM-OAHLLOKOSA-N 2 2 347.463 1.642 20 0 EDADLP C[NH+]1CCC([C@H]2CC[N@H+](CN3c4ccccc4C(=O)C3=O)C2)CC1 ZINC000755776857 579934711 /nfs/dbraw/zinc/93/47/11/579934711.db2.gz DEPXQWXIJPAUMP-HNNXBMFYSA-N 2 2 327.428 1.837 20 0 EDADLP C[NH+]1CCC([C@H]2CC[N@@H+](CN3c4ccccc4C(=O)C3=O)C2)CC1 ZINC000755776857 579934712 /nfs/dbraw/zinc/93/47/12/579934712.db2.gz DEPXQWXIJPAUMP-HNNXBMFYSA-N 2 2 327.428 1.837 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)CC3(CCCCC3)C2=O)C1 ZINC000755791180 579935330 /nfs/dbraw/zinc/93/53/30/579935330.db2.gz RCNFYNYGTBBBGJ-CQSZACIVSA-N 2 2 330.432 1.876 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)CC3(CCCCC3)C2=O)C1 ZINC000755791180 579935331 /nfs/dbraw/zinc/93/53/31/579935331.db2.gz RCNFYNYGTBBBGJ-CQSZACIVSA-N 2 2 330.432 1.876 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000755792772 579935409 /nfs/dbraw/zinc/93/54/09/579935409.db2.gz WTJYJRKTRFMBQY-BLLLJJGKSA-N 2 2 334.445 1.049 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000755792772 579935410 /nfs/dbraw/zinc/93/54/10/579935410.db2.gz WTJYJRKTRFMBQY-BLLLJJGKSA-N 2 2 334.445 1.049 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)CCO1 ZINC000755981071 579940138 /nfs/dbraw/zinc/94/01/38/579940138.db2.gz QUMKERLCQZYYBE-OAHLLOKOSA-N 2 2 338.452 1.074 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)CCO1 ZINC000755981071 579940139 /nfs/dbraw/zinc/94/01/39/579940139.db2.gz QUMKERLCQZYYBE-OAHLLOKOSA-N 2 2 338.452 1.074 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1nc2cnccn2c1=O ZINC000762073299 580066305 /nfs/dbraw/zinc/06/63/05/580066305.db2.gz IKHWRHPMEPWYKF-UHFFFAOYSA-N 2 2 329.408 1.020 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1nc2cnccn2c1=O ZINC000762073299 580066306 /nfs/dbraw/zinc/06/63/06/580066306.db2.gz IKHWRHPMEPWYKF-UHFFFAOYSA-N 2 2 329.408 1.020 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)oc1C ZINC000763040895 580090742 /nfs/dbraw/zinc/09/07/42/580090742.db2.gz AUMPPFSRJMEGSF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)oc1C ZINC000763040895 580090743 /nfs/dbraw/zinc/09/07/43/580090743.db2.gz AUMPPFSRJMEGSF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763336667 580098053 /nfs/dbraw/zinc/09/80/53/580098053.db2.gz NAIYVHLKCOHBJF-YRXWBPOGSA-N 2 2 348.535 1.693 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763336667 580098054 /nfs/dbraw/zinc/09/80/54/580098054.db2.gz NAIYVHLKCOHBJF-YRXWBPOGSA-N 2 2 348.535 1.693 20 0 EDADLP COC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000765629134 580146823 /nfs/dbraw/zinc/14/68/23/580146823.db2.gz HRWNRIHGJMIFSU-KRWDZBQOSA-N 2 2 332.448 1.866 20 0 EDADLP Cc1ccc([C@H](O)C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)o1 ZINC000766141658 580160162 /nfs/dbraw/zinc/16/01/62/580160162.db2.gz MYTAPLSFVRIDTF-QGZVFWFLSA-N 2 2 337.464 1.008 20 0 EDADLP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)o1 ZINC000766141658 580160163 /nfs/dbraw/zinc/16/01/63/580160163.db2.gz MYTAPLSFVRIDTF-QGZVFWFLSA-N 2 2 337.464 1.008 20 0 EDADLP CCC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCOC ZINC000767123257 580182300 /nfs/dbraw/zinc/18/23/00/580182300.db2.gz NHILUOUSWKLCFZ-OAHLLOKOSA-N 2 2 330.432 1.907 20 0 EDADLP CCC[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCOC ZINC000767123257 580182301 /nfs/dbraw/zinc/18/23/01/580182301.db2.gz NHILUOUSWKLCFZ-OAHLLOKOSA-N 2 2 330.432 1.907 20 0 EDADLP Cn1nccc1CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000781153938 580543360 /nfs/dbraw/zinc/54/33/60/580543360.db2.gz CBMYAYZDUMVMSH-UHFFFAOYSA-N 2 2 343.431 1.424 20 0 EDADLP CC(C)COC1CC[NH+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783978385 580609773 /nfs/dbraw/zinc/60/97/73/580609773.db2.gz XXMMSEBZKAYEMV-OAHLLOKOSA-N 2 2 334.464 1.831 20 0 EDADLP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783994015 580611065 /nfs/dbraw/zinc/61/10/65/580611065.db2.gz IUDRKQPRWGMFSX-ZBFHGGJFSA-N 2 2 342.447 1.573 20 0 EDADLP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783994015 580611066 /nfs/dbraw/zinc/61/10/66/580611066.db2.gz IUDRKQPRWGMFSX-ZBFHGGJFSA-N 2 2 342.447 1.573 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000783995022 580611234 /nfs/dbraw/zinc/61/12/34/580611234.db2.gz QQSIFVAMRKZGIV-HZPDHXFCSA-N 2 2 331.464 1.111 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCCCn2cc[nH+]c2)CC1=O ZINC000785644173 580648675 /nfs/dbraw/zinc/64/86/75/580648675.db2.gz OMDWTHFMOPHZPC-HOTGVXAUSA-N 2 2 348.447 1.149 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)OCCCn2cc[nH+]c2)CC1=O ZINC000785644173 580648676 /nfs/dbraw/zinc/64/86/76/580648676.db2.gz OMDWTHFMOPHZPC-HOTGVXAUSA-N 2 2 348.447 1.149 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCO1 ZINC000788859138 580731289 /nfs/dbraw/zinc/73/12/89/580731289.db2.gz ZBOCAFYJZHTPCJ-XJKSGUPXSA-N 2 2 342.399 1.875 20 0 EDADLP Cc1nn[nH]c1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000789975652 580758402 /nfs/dbraw/zinc/75/84/02/580758402.db2.gz LOPYKQVITDCXLN-UHFFFAOYSA-N 2 2 348.495 1.381 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCC(=O)Nc3cccnc3)CC2)S1 ZINC000792255268 580815313 /nfs/dbraw/zinc/81/53/13/580815313.db2.gz OZNSPJHFHVDQNO-CYBMUJFWSA-N 2 2 333.461 1.519 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cn1 ZINC000799610338 581032758 /nfs/dbraw/zinc/03/27/58/581032758.db2.gz BEEYHLIQNUBQPF-SFHVURJKSA-N 2 2 330.407 1.903 20 0 EDADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000891817716 590635749 /nfs/dbraw/zinc/63/57/49/590635749.db2.gz BFUKSOKDZJRJRR-CVEARBPZSA-N 2 2 325.416 1.212 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000891829704 590640749 /nfs/dbraw/zinc/64/07/49/590640749.db2.gz PMVLJLWWPKDLFU-HOTGVXAUSA-N 2 2 329.448 1.527 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000891829704 590640754 /nfs/dbraw/zinc/64/07/54/590640754.db2.gz PMVLJLWWPKDLFU-HOTGVXAUSA-N 2 2 329.448 1.527 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2c3c(nn2C)CCC3)CC1 ZINC000891844446 590652690 /nfs/dbraw/zinc/65/26/90/590652690.db2.gz DXUYYTKYCXYMPI-IAGOWNOFSA-N 2 2 345.535 1.899 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000891895242 590676540 /nfs/dbraw/zinc/67/65/40/590676540.db2.gz FIBXFFQXFXDEPQ-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@H](C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)[NH+](C)C ZINC000893343169 590791386 /nfs/dbraw/zinc/79/13/86/590791386.db2.gz FHCPDIAGQAGUPE-KFWWJZLASA-N 2 2 341.496 1.989 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000892115857 590807531 /nfs/dbraw/zinc/80/75/31/590807531.db2.gz VOVPRBFVXINWDF-QGZVFWFLSA-N 2 2 332.444 1.936 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000892115857 590807534 /nfs/dbraw/zinc/80/75/34/590807534.db2.gz VOVPRBFVXINWDF-QGZVFWFLSA-N 2 2 332.444 1.936 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000892331107 590956907 /nfs/dbraw/zinc/95/69/07/590956907.db2.gz SGABTIJZMNZKTE-JKSUJKDBSA-N 2 2 329.448 1.670 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000892331107 590956909 /nfs/dbraw/zinc/95/69/09/590956909.db2.gz SGABTIJZMNZKTE-JKSUJKDBSA-N 2 2 329.448 1.670 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000892406800 591014302 /nfs/dbraw/zinc/01/43/02/591014302.db2.gz PTBSIROPVQSPLB-AEFFLSMTSA-N 2 2 348.491 1.309 20 0 EDADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000892560422 591072754 /nfs/dbraw/zinc/07/27/54/591072754.db2.gz ROUFYAPEIONXPK-OTVXOJSOSA-N 2 2 336.867 1.905 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCOCC1 ZINC000891518888 591104867 /nfs/dbraw/zinc/10/48/67/591104867.db2.gz VLUGQKRGOVFTBH-DAYGRLMNSA-N 2 2 346.475 1.109 20 0 EDADLP COC(=O)c1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)[nH]c1C(C)C ZINC000893863289 591119462 /nfs/dbraw/zinc/11/94/62/591119462.db2.gz DJLFJUGCIRLAAW-UHFFFAOYSA-N 2 2 337.464 1.813 20 0 EDADLP COC(=O)c1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)[nH]c1C(C)C ZINC000893863289 591119464 /nfs/dbraw/zinc/11/94/64/591119464.db2.gz DJLFJUGCIRLAAW-UHFFFAOYSA-N 2 2 337.464 1.813 20 0 EDADLP COCCOC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000894031989 591171886 /nfs/dbraw/zinc/17/18/86/591171886.db2.gz QVMPGPKEQTZYLZ-IEBWSBKVSA-N 2 2 336.476 1.919 20 0 EDADLP COCCOC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000894031989 591171888 /nfs/dbraw/zinc/17/18/88/591171888.db2.gz QVMPGPKEQTZYLZ-IEBWSBKVSA-N 2 2 336.476 1.919 20 0 EDADLP COC(=O)[C@@H]1[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(F)F ZINC000894193837 591222323 /nfs/dbraw/zinc/22/23/23/591222323.db2.gz MMWAIMDLKBZHNI-GJZGRUSLSA-N 2 2 339.386 1.690 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000895630042 591235916 /nfs/dbraw/zinc/23/59/16/591235916.db2.gz RJHJENBLOWSTQC-HNNXBMFYSA-N 2 2 332.448 1.407 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000895630042 591235915 /nfs/dbraw/zinc/23/59/15/591235915.db2.gz RJHJENBLOWSTQC-HNNXBMFYSA-N 2 2 332.448 1.407 20 0 EDADLP Cc1ncccc1CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021082 591256650 /nfs/dbraw/zinc/25/66/50/591256650.db2.gz DIHXHHRLJICRDJ-QGZVFWFLSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1ncccc1CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021082 591256652 /nfs/dbraw/zinc/25/66/52/591256652.db2.gz DIHXHHRLJICRDJ-QGZVFWFLSA-N 2 2 345.491 1.400 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895763151 591267881 /nfs/dbraw/zinc/26/78/81/591267881.db2.gz BMYWOPKKCFROGJ-KRWDZBQOSA-N 2 2 344.459 1.409 20 0 EDADLP C[NH+](C)CC[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1cccnc1 ZINC000895891919 591298504 /nfs/dbraw/zinc/29/85/04/591298504.db2.gz LKGWYQPSKNZKEJ-MRXNPFEDSA-N 2 2 342.447 1.813 20 0 EDADLP C[NH+](C)CC[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1cccnc1 ZINC000895891919 591298505 /nfs/dbraw/zinc/29/85/05/591298505.db2.gz LKGWYQPSKNZKEJ-MRXNPFEDSA-N 2 2 342.447 1.813 20 0 EDADLP C[C@@H](C[NH+](C)C)NC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894446738 591313969 /nfs/dbraw/zinc/31/39/69/591313969.db2.gz SCOWSRPJQPVASK-AWEZNQCLSA-N 2 2 328.501 1.515 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC000896004864 591321534 /nfs/dbraw/zinc/32/15/34/591321534.db2.gz QZYLVHDQCLLKIT-QGZVFWFLSA-N 3 2 336.524 1.534 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC000896004864 591321536 /nfs/dbraw/zinc/32/15/36/591321536.db2.gz QZYLVHDQCLLKIT-QGZVFWFLSA-N 3 2 336.524 1.534 20 0 EDADLP Cn1ncc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1C1CC1 ZINC000896031589 591325625 /nfs/dbraw/zinc/32/56/25/591325625.db2.gz WCCFTAHOPVQKII-SFHVURJKSA-N 2 2 347.507 1.184 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c2c1OC(F)(F)O2 ZINC000894535922 591336390 /nfs/dbraw/zinc/33/63/90/591336390.db2.gz YRJFFULABMYMEU-CJNGLKHVSA-N 2 2 340.370 1.884 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c2c1OC(F)(F)O2 ZINC000894535922 591336394 /nfs/dbraw/zinc/33/63/94/591336394.db2.gz YRJFFULABMYMEU-CJNGLKHVSA-N 2 2 340.370 1.884 20 0 EDADLP CCO[C@H](CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1)C[NH+](C)C ZINC000896112366 591347666 /nfs/dbraw/zinc/34/76/66/591347666.db2.gz LXCLVAZHKMROMK-RBSFLKMASA-N 2 2 337.468 1.062 20 0 EDADLP CCO[C@H](CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1)C[NH+](C)C ZINC000896112366 591347670 /nfs/dbraw/zinc/34/76/70/591347670.db2.gz LXCLVAZHKMROMK-RBSFLKMASA-N 2 2 337.468 1.062 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000897408158 591369137 /nfs/dbraw/zinc/36/91/37/591369137.db2.gz MCZAVCKYDQSAPX-PBHICJAKSA-N 2 2 349.500 1.674 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2nccn3c[nH+]cc23)C1 ZINC000894632127 591372231 /nfs/dbraw/zinc/37/22/31/591372231.db2.gz STUOYZKSGIHWLP-QGZVFWFLSA-N 2 2 336.443 1.957 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNc2nccn3c[nH+]cc23)C1 ZINC000894632127 591372235 /nfs/dbraw/zinc/37/22/35/591372235.db2.gz STUOYZKSGIHWLP-QGZVFWFLSA-N 2 2 336.443 1.957 20 0 EDADLP C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896530095 591485388 /nfs/dbraw/zinc/48/53/88/591485388.db2.gz HWWYHKHAKVXYPV-YJBOKZPZSA-N 2 2 341.459 1.165 20 0 EDADLP C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896530095 591485390 /nfs/dbraw/zinc/48/53/90/591485390.db2.gz HWWYHKHAKVXYPV-YJBOKZPZSA-N 2 2 341.459 1.165 20 0 EDADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C12CCC2 ZINC000898842940 591559792 /nfs/dbraw/zinc/55/97/92/591559792.db2.gz ZOIJGDVEOAEBLH-UONOGXRCSA-N 2 2 326.404 1.265 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000898892713 591583538 /nfs/dbraw/zinc/58/35/38/591583538.db2.gz UETJFAUYWLJGOE-DLBZAZTESA-N 2 2 342.443 1.693 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000898892713 591583540 /nfs/dbraw/zinc/58/35/40/591583540.db2.gz UETJFAUYWLJGOE-DLBZAZTESA-N 2 2 342.443 1.693 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)[nH]n1 ZINC000897627507 591595540 /nfs/dbraw/zinc/59/55/40/591595540.db2.gz ZZWWUSKVTQTDQV-MQBCKMQZSA-N 2 2 331.464 1.923 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)[nH]n1 ZINC000897627507 591595541 /nfs/dbraw/zinc/59/55/41/591595541.db2.gz ZZWWUSKVTQTDQV-MQBCKMQZSA-N 2 2 331.464 1.923 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)n[nH]1 ZINC000897627507 591595542 /nfs/dbraw/zinc/59/55/42/591595542.db2.gz ZZWWUSKVTQTDQV-MQBCKMQZSA-N 2 2 331.464 1.923 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)n[nH]1 ZINC000897627507 591595543 /nfs/dbraw/zinc/59/55/43/591595543.db2.gz ZZWWUSKVTQTDQV-MQBCKMQZSA-N 2 2 331.464 1.923 20 0 EDADLP Cc1cccn2cc(CCNC(=O)C3C[NH+]([C@@H]4CCOC4)C3)[nH+]c12 ZINC000896802437 591616195 /nfs/dbraw/zinc/61/61/95/591616195.db2.gz XKBYLYZLQMVOKP-MRXNPFEDSA-N 2 2 328.416 1.022 20 0 EDADLP C[N@H+](CCCCNC(=O)c1cccn1CC[NH+]1CCOCC1)C1CC1 ZINC000909555463 591662971 /nfs/dbraw/zinc/66/29/71/591662971.db2.gz BIVTZBFGZATSCL-UHFFFAOYSA-N 2 2 348.491 1.425 20 0 EDADLP C[N@@H+](CCCCNC(=O)c1cccn1CC[NH+]1CCOCC1)C1CC1 ZINC000909555463 591662973 /nfs/dbraw/zinc/66/29/73/591662973.db2.gz BIVTZBFGZATSCL-UHFFFAOYSA-N 2 2 348.491 1.425 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC000896959975 591691578 /nfs/dbraw/zinc/69/15/78/591691578.db2.gz RMMDBKSJVZVJNT-PBHICJAKSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC000896959975 591691581 /nfs/dbraw/zinc/69/15/81/591691581.db2.gz RMMDBKSJVZVJNT-PBHICJAKSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000896959975 591691583 /nfs/dbraw/zinc/69/15/83/591691583.db2.gz RMMDBKSJVZVJNT-PBHICJAKSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000896959975 591691586 /nfs/dbraw/zinc/69/15/86/591691586.db2.gz RMMDBKSJVZVJNT-PBHICJAKSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896959975 591691589 /nfs/dbraw/zinc/69/15/89/591691589.db2.gz RMMDBKSJVZVJNT-PBHICJAKSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896959975 591691591 /nfs/dbraw/zinc/69/15/91/591691591.db2.gz RMMDBKSJVZVJNT-PBHICJAKSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000896959975 591691593 /nfs/dbraw/zinc/69/15/93/591691593.db2.gz RMMDBKSJVZVJNT-PBHICJAKSA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000896959975 591691595 /nfs/dbraw/zinc/69/15/95/591691595.db2.gz RMMDBKSJVZVJNT-PBHICJAKSA-N 2 2 333.480 1.884 20 0 EDADLP C[NH+]1CCC(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000895321622 591712695 /nfs/dbraw/zinc/71/26/95/591712695.db2.gz WJAVAUJVCPZCJG-RYUDHWBXSA-N 2 2 328.400 1.236 20 0 EDADLP C[NH+]1CCC(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000895321622 591712696 /nfs/dbraw/zinc/71/26/96/591712696.db2.gz WJAVAUJVCPZCJG-RYUDHWBXSA-N 2 2 328.400 1.236 20 0 EDADLP COc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(F)c1OC ZINC000895355094 591725874 /nfs/dbraw/zinc/72/58/74/591725874.db2.gz YCDATDFOFRZVAE-UHFFFAOYSA-N 2 2 334.395 1.899 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC[N@H+]3CCC[C@H]3C)cn21 ZINC000895536365 591794919 /nfs/dbraw/zinc/79/49/19/591794919.db2.gz UDHPCNWGDVARFJ-CQSZACIVSA-N 2 2 329.448 1.969 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC[N@@H+]3CCC[C@H]3C)cn21 ZINC000895536365 591794921 /nfs/dbraw/zinc/79/49/21/591794921.db2.gz UDHPCNWGDVARFJ-CQSZACIVSA-N 2 2 329.448 1.969 20 0 EDADLP O[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1F ZINC000898184744 591826619 /nfs/dbraw/zinc/82/66/19/591826619.db2.gz WJQFXYLBUINZCI-ROUUACIJSA-N 2 2 338.423 1.302 20 0 EDADLP O[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1F ZINC000898184744 591826621 /nfs/dbraw/zinc/82/66/21/591826621.db2.gz WJQFXYLBUINZCI-ROUUACIJSA-N 2 2 338.423 1.302 20 0 EDADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000897343604 591869095 /nfs/dbraw/zinc/86/90/95/591869095.db2.gz VUMHWOVBJBGXTP-INIZCTEOSA-N 2 2 339.480 1.298 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C1 ZINC000898331721 591874048 /nfs/dbraw/zinc/87/40/48/591874048.db2.gz FVPASUUDLPJHLS-WBVHZDCISA-N 2 2 342.443 1.764 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C1 ZINC000898331721 591874053 /nfs/dbraw/zinc/87/40/53/591874053.db2.gz FVPASUUDLPJHLS-WBVHZDCISA-N 2 2 342.443 1.764 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cc1 ZINC000900044664 591881950 /nfs/dbraw/zinc/88/19/50/591881950.db2.gz FLYPJXXIAUIDAT-UHFFFAOYSA-N 2 2 343.471 1.825 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CCC(OCC[NH+](C)C)CC1)C2=O ZINC000902146342 591928730 /nfs/dbraw/zinc/92/87/30/591928730.db2.gz LLCFLGXRSXMFBL-MAUKXSAKSA-N 2 2 337.464 1.018 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C[C@H]([C@@H]3CCCO3)CC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000902181563 591933429 /nfs/dbraw/zinc/93/34/29/591933429.db2.gz BYBXRBDKDHUFFA-NCOADZHNSA-N 2 2 332.448 1.751 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C[C@H]([C@@H]3CCCO3)CC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000902181563 591933432 /nfs/dbraw/zinc/93/34/32/591933432.db2.gz BYBXRBDKDHUFFA-NCOADZHNSA-N 2 2 332.448 1.751 20 0 EDADLP C/C(=C\C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900285664 591971993 /nfs/dbraw/zinc/97/19/93/591971993.db2.gz ZEZUXFXYUOMGKG-XOVFHRFOSA-N 2 2 349.450 1.823 20 0 EDADLP C/C(=C\C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)C[NH+]1CCOCC1 ZINC000900340877 591989594 /nfs/dbraw/zinc/98/95/94/591989594.db2.gz XAKFBMUVZFSLSK-SFKKXYGYSA-N 2 2 334.464 1.693 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000900354442 591993433 /nfs/dbraw/zinc/99/34/33/591993433.db2.gz BIRKBQBYKOXHBA-LJQANCHMSA-N 2 2 347.459 1.304 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000900354442 591993435 /nfs/dbraw/zinc/99/34/35/591993435.db2.gz BIRKBQBYKOXHBA-LJQANCHMSA-N 2 2 347.459 1.304 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3ccnn3CC[NH+](C)C)cn2c1 ZINC000900361511 591995294 /nfs/dbraw/zinc/99/52/94/591995294.db2.gz OARTXBSVVCQIKL-UHFFFAOYSA-N 2 2 326.404 1.331 20 0 EDADLP Cc1cn2cc(NC(=O)CCN3CC[NH+](C(C)C)CC3)ccc2[nH+]1 ZINC000900491356 592032805 /nfs/dbraw/zinc/03/28/05/592032805.db2.gz HDNZXEVFKHMLLV-UHFFFAOYSA-N 2 2 329.448 1.997 20 0 EDADLP C/C(=C\C(=O)N1CC[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000900572682 592055928 /nfs/dbraw/zinc/05/59/28/592055928.db2.gz OBAFLYMWUUGXTB-DTQAZKPQSA-N 2 2 329.444 1.744 20 0 EDADLP C/C(=C\C(=O)N1CC[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000900572682 592055931 /nfs/dbraw/zinc/05/59/31/592055931.db2.gz OBAFLYMWUUGXTB-DTQAZKPQSA-N 2 2 329.444 1.744 20 0 EDADLP C/C(=C\C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900656490 592082405 /nfs/dbraw/zinc/08/24/05/592082405.db2.gz UWEPFWZHYFSODZ-KJCUYJGMSA-N 2 2 345.487 1.902 20 0 EDADLP C/C(=C\C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900656490 592082408 /nfs/dbraw/zinc/08/24/08/592082408.db2.gz UWEPFWZHYFSODZ-KJCUYJGMSA-N 2 2 345.487 1.902 20 0 EDADLP C/C(=C\C(=O)N(CC(C)C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000900694817 592088070 /nfs/dbraw/zinc/08/80/70/592088070.db2.gz LBUJRXQAROIFBS-GHRIWEEISA-N 2 2 337.508 1.844 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)C[N@@H+]1C1CC1 ZINC000903129795 592125198 /nfs/dbraw/zinc/12/51/98/592125198.db2.gz FBIMTZCCWNEPSS-DSJMHWKBSA-N 2 2 333.480 1.837 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)C[N@H+]1C1CC1 ZINC000903129795 592125200 /nfs/dbraw/zinc/12/52/00/592125200.db2.gz FBIMTZCCWNEPSS-DSJMHWKBSA-N 2 2 333.480 1.837 20 0 EDADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCO[C@@]34CCOC4)C2)cc1 ZINC000903158901 592128157 /nfs/dbraw/zinc/12/81/57/592128157.db2.gz CPHNPOUIXLIGGN-VAMGGRTRSA-N 2 2 346.471 1.815 20 0 EDADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCO[C@@]34CCOC4)C2)cc1 ZINC000903158901 592128159 /nfs/dbraw/zinc/12/81/59/592128159.db2.gz CPHNPOUIXLIGGN-VAMGGRTRSA-N 2 2 346.471 1.815 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000903238307 592142550 /nfs/dbraw/zinc/14/25/50/592142550.db2.gz ZMYKSXVJLLPWRN-SKDRFNHKSA-N 2 2 346.353 1.084 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000903238307 592142551 /nfs/dbraw/zinc/14/25/51/592142551.db2.gz ZMYKSXVJLLPWRN-SKDRFNHKSA-N 2 2 346.353 1.084 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903303747 592153250 /nfs/dbraw/zinc/15/32/50/592153250.db2.gz VABKDIUMLWDJNE-HEHGZKQESA-N 2 2 325.478 1.680 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903303747 592153251 /nfs/dbraw/zinc/15/32/51/592153251.db2.gz VABKDIUMLWDJNE-HEHGZKQESA-N 2 2 325.478 1.680 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903472740 592175553 /nfs/dbraw/zinc/17/55/53/592175553.db2.gz VVMMPDUQAUALAR-CJNGLKHVSA-N 2 2 345.443 1.352 20 0 EDADLP C[C@H]1C[N@@H+]([C@H](CNC(=O)C23CC[NH+](CC2)C3)c2cccs2)CCO1 ZINC000900939881 592179824 /nfs/dbraw/zinc/17/98/24/592179824.db2.gz BHKKKGVQYTVZDY-LSDHHAIUSA-N 2 2 349.500 1.722 20 0 EDADLP C[C@H]1C[N@H+]([C@H](CNC(=O)C23CC[NH+](CC2)C3)c2cccs2)CCO1 ZINC000900939881 592179826 /nfs/dbraw/zinc/17/98/26/592179826.db2.gz BHKKKGVQYTVZDY-LSDHHAIUSA-N 2 2 349.500 1.722 20 0 EDADLP COc1ccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000903566636 592212599 /nfs/dbraw/zinc/21/25/99/592212599.db2.gz WZWHSLBFPUJETE-UHFFFAOYSA-N 2 2 347.868 1.050 20 0 EDADLP Fc1cccn2cc(C[NH2+]Cc3ccncc3O[C@H]3CC[NH2+]C3)nc12 ZINC000904451130 592264036 /nfs/dbraw/zinc/26/40/36/592264036.db2.gz AULJUNULISYFJJ-HNNXBMFYSA-N 2 2 341.390 1.899 20 0 EDADLP CCOC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903751171 592295848 /nfs/dbraw/zinc/29/58/48/592295848.db2.gz CBHYYTZDMGFGGW-MJGOQNOKSA-N 2 2 332.444 1.820 20 0 EDADLP CCOC(=O)C[N@H+](Cc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903751171 592295851 /nfs/dbraw/zinc/29/58/51/592295851.db2.gz CBHYYTZDMGFGGW-MJGOQNOKSA-N 2 2 332.444 1.820 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741222 592303549 /nfs/dbraw/zinc/30/35/49/592303549.db2.gz ONSRJWFBPJGSGO-RTBURBONSA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741222 592303551 /nfs/dbraw/zinc/30/35/51/592303551.db2.gz ONSRJWFBPJGSGO-RTBURBONSA-N 3 2 338.540 1.103 20 0 EDADLP COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903755286 592313814 /nfs/dbraw/zinc/31/38/14/592313814.db2.gz DYJGLUDQYJZMQJ-SJLPKXTDSA-N 2 2 344.455 1.918 20 0 EDADLP COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903755286 592313820 /nfs/dbraw/zinc/31/38/20/592313820.db2.gz DYJGLUDQYJZMQJ-SJLPKXTDSA-N 2 2 344.455 1.918 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903775028 592317955 /nfs/dbraw/zinc/31/79/55/592317955.db2.gz FQFFAGLAESHJCG-MSOLQXFVSA-N 3 2 337.508 1.332 20 0 EDADLP NC(=O)c1cn[nH]c1[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779826 592320403 /nfs/dbraw/zinc/32/04/03/592320403.db2.gz BPWIWWBRRQIGGM-HIFRSBDPSA-N 2 2 347.463 1.194 20 0 EDADLP NC(=O)c1cn[nH]c1[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779826 592320408 /nfs/dbraw/zinc/32/04/08/592320408.db2.gz BPWIWWBRRQIGGM-HIFRSBDPSA-N 2 2 347.463 1.194 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903805915 592328660 /nfs/dbraw/zinc/32/86/60/592328660.db2.gz SESDOYHUJMAWBC-SUMDDJOVSA-N 2 2 347.459 1.588 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903805915 592328662 /nfs/dbraw/zinc/32/86/62/592328662.db2.gz SESDOYHUJMAWBC-SUMDDJOVSA-N 2 2 347.459 1.588 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)NCCOCC[NH+](C)C)cc1 ZINC000901342008 592336101 /nfs/dbraw/zinc/33/61/01/592336101.db2.gz WTVQZJSRHZUPRE-UHFFFAOYSA-N 2 2 345.447 1.340 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C[C@H]1C ZINC000901318798 592340046 /nfs/dbraw/zinc/34/00/46/592340046.db2.gz OZLCKYYHUSDFAP-OAGGEKHMSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C[C@H]1C ZINC000901318798 592340049 /nfs/dbraw/zinc/34/00/49/592340049.db2.gz OZLCKYYHUSDFAP-OAGGEKHMSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1C ZINC000901318798 592340053 /nfs/dbraw/zinc/34/00/53/592340053.db2.gz OZLCKYYHUSDFAP-OAGGEKHMSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1C ZINC000901318798 592340055 /nfs/dbraw/zinc/34/00/55/592340055.db2.gz OZLCKYYHUSDFAP-OAGGEKHMSA-N 2 2 337.464 1.099 20 0 EDADLP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH+](CCn2cccn2)CC1 ZINC000903891655 592352587 /nfs/dbraw/zinc/35/25/87/592352587.db2.gz NCJDRBDLFNKRJD-AYHJJNSGSA-N 3 2 331.508 1.810 20 0 EDADLP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC[NH+](CCn2cccn2)CC1 ZINC000903891655 592352591 /nfs/dbraw/zinc/35/25/91/592352591.db2.gz NCJDRBDLFNKRJD-AYHJJNSGSA-N 3 2 331.508 1.810 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903869239 592352925 /nfs/dbraw/zinc/35/29/25/592352925.db2.gz DYLYAHQLTGQZKF-WMZOPIPTSA-N 2 2 333.432 1.213 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903869239 592352930 /nfs/dbraw/zinc/35/29/30/592352930.db2.gz DYLYAHQLTGQZKF-WMZOPIPTSA-N 2 2 333.432 1.213 20 0 EDADLP Cc1c(C[C@H](C[NH3+])CN2CC[NH+](Cc3ccccn3)CC2)cnn1C ZINC000903878370 592359262 /nfs/dbraw/zinc/35/92/62/592359262.db2.gz HFNYBKVAXIRCMU-QGZVFWFLSA-N 2 2 342.491 1.059 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(Cc3ccccn3)CC2)cnn1C ZINC000903878370 592359267 /nfs/dbraw/zinc/35/92/67/592359267.db2.gz HFNYBKVAXIRCMU-QGZVFWFLSA-N 2 2 342.491 1.059 20 0 EDADLP O[C@H](C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1)C(F)(F)F ZINC000903896333 592366887 /nfs/dbraw/zinc/36/68/87/592366887.db2.gz BCRXQOQNDNBWDP-GXTWGEPZSA-N 2 2 347.385 1.338 20 0 EDADLP NC1(C[NH2+]C[C@@H]([NH3+])CC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000903929900 592382358 /nfs/dbraw/zinc/38/23/58/592382358.db2.gz NXMXWPHPCZCNFK-HNNXBMFYSA-N 3 2 326.435 1.552 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000903960684 592391725 /nfs/dbraw/zinc/39/17/25/592391725.db2.gz UXLZGGYQTMOGNN-BXKDBHETSA-N 2 2 327.222 1.918 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949378 592393968 /nfs/dbraw/zinc/39/39/68/592393968.db2.gz AFOSIYOCUUCBPU-UHFFFAOYSA-N 2 2 331.420 1.719 20 0 EDADLP CCO[C@H](C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O)C[NH+](C)C ZINC000901592040 592398325 /nfs/dbraw/zinc/39/83/25/592398325.db2.gz GWIJWUPADBRTIZ-HUUCEWRRSA-N 2 2 327.856 1.293 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)cnn1C ZINC000903986588 592405832 /nfs/dbraw/zinc/40/58/32/592405832.db2.gz MSLZXLBKAFBJHL-MZMPZRCHSA-N 2 2 332.423 1.907 20 0 EDADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)C1(O)CCOCC1)c1ccccc1 ZINC000905095235 592419888 /nfs/dbraw/zinc/41/98/88/592419888.db2.gz CIWMZDIQMOUHBE-WBVHZDCISA-N 2 2 336.476 1.608 20 0 EDADLP Cc1cc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000908284866 592425008 /nfs/dbraw/zinc/42/50/08/592425008.db2.gz BEJICUNTRWRNIH-MAUKXSAKSA-N 2 2 332.448 1.062 20 0 EDADLP Cc1cc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000908284866 592425011 /nfs/dbraw/zinc/42/50/11/592425011.db2.gz BEJICUNTRWRNIH-MAUKXSAKSA-N 2 2 332.448 1.062 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905179674 592441224 /nfs/dbraw/zinc/44/12/24/592441224.db2.gz LJAGMUFJRFCYTL-MAUKXSAKSA-N 2 2 333.476 1.863 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)CCC1(O)CCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000905345200 592501117 /nfs/dbraw/zinc/50/11/17/592501117.db2.gz MDNBLIZGUOOIFL-RBUKOAKNSA-N 2 2 348.487 1.051 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)CCC1(O)CCC1)C[N@H+]1CCc2ccccc2C1 ZINC000905345200 592501118 /nfs/dbraw/zinc/50/11/18/592501118.db2.gz MDNBLIZGUOOIFL-RBUKOAKNSA-N 2 2 348.487 1.051 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C[C@@]1(O)CCOC1 ZINC000905410279 592524219 /nfs/dbraw/zinc/52/42/19/592524219.db2.gz VSPWDQDFDHXROJ-BZSNNMDCSA-N 2 2 326.481 1.276 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C[C@@]1(O)CCOC1 ZINC000905410279 592524220 /nfs/dbraw/zinc/52/42/20/592524220.db2.gz VSPWDQDFDHXROJ-BZSNNMDCSA-N 2 2 326.481 1.276 20 0 EDADLP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000905446148 592527929 /nfs/dbraw/zinc/52/79/29/592527929.db2.gz DQJUZXIMXPMRLA-UXHICEINSA-N 2 2 347.503 1.415 20 0 EDADLP C[N@H+](CCO)CC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000905488228 592550635 /nfs/dbraw/zinc/55/06/35/592550635.db2.gz CIPHQMZBCVTPMY-UHFFFAOYSA-N 2 2 333.354 1.548 20 0 EDADLP C[N@@H+](CCO)CC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000905488228 592550637 /nfs/dbraw/zinc/55/06/37/592550637.db2.gz CIPHQMZBCVTPMY-UHFFFAOYSA-N 2 2 333.354 1.548 20 0 EDADLP Cc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c(N2CCCC2)[nH+]1 ZINC000907281936 592582675 /nfs/dbraw/zinc/58/26/75/592582675.db2.gz BCYFPDAESMICEJ-MAUKXSAKSA-N 2 2 332.448 1.062 20 0 EDADLP Cc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c(N2CCCC2)[nH+]1 ZINC000907281936 592582679 /nfs/dbraw/zinc/58/26/79/592582679.db2.gz BCYFPDAESMICEJ-MAUKXSAKSA-N 2 2 332.448 1.062 20 0 EDADLP Cc1nc(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000907374099 592615799 /nfs/dbraw/zinc/61/57/99/592615799.db2.gz MEHPPHZDNDYPKV-UHFFFAOYSA-N 2 2 331.464 1.698 20 0 EDADLP [NH3+][C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[C@@H]1C(F)(F)F ZINC000905718643 592622978 /nfs/dbraw/zinc/62/29/78/592622978.db2.gz PSTGBTAQPNITGK-WDEREUQCSA-N 2 2 347.410 1.746 20 0 EDADLP O[C@H](C[NH2+]CC1([NH+]2CCSCC2)CCCC1)CC1(O)CCCC1 ZINC000905907879 592676655 /nfs/dbraw/zinc/67/66/55/592676655.db2.gz OHMFIXAPXFIBHX-INIZCTEOSA-N 2 2 342.549 1.994 20 0 EDADLP Cc1cccc([C@H](O)C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000905930171 592686463 /nfs/dbraw/zinc/68/64/63/592686463.db2.gz RSLFVKPNIGYJMR-DFQSSKMNSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1cccc([C@H](O)C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000905930171 592686465 /nfs/dbraw/zinc/68/64/65/592686465.db2.gz RSLFVKPNIGYJMR-DFQSSKMNSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1cccc([C@H](O)C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000905930171 592686467 /nfs/dbraw/zinc/68/64/67/592686467.db2.gz RSLFVKPNIGYJMR-DFQSSKMNSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1cccc([C@H](O)C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000905930171 592686468 /nfs/dbraw/zinc/68/64/68/592686468.db2.gz RSLFVKPNIGYJMR-DFQSSKMNSA-N 2 2 347.503 1.365 20 0 EDADLP Cn1ccc(-n2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nn2)n1 ZINC000906280056 592772927 /nfs/dbraw/zinc/77/29/27/592772927.db2.gz IFRVEDJBSMDWCZ-RHSMWYFYSA-N 2 2 341.463 1.450 20 0 EDADLP Cn1ccc(-n2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nn2)n1 ZINC000906280056 592772931 /nfs/dbraw/zinc/77/29/31/592772931.db2.gz IFRVEDJBSMDWCZ-RHSMWYFYSA-N 2 2 341.463 1.450 20 0 EDADLP Cn1ccc(-n2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nn2)n1 ZINC000906280056 592772934 /nfs/dbraw/zinc/77/29/34/592772934.db2.gz IFRVEDJBSMDWCZ-RHSMWYFYSA-N 2 2 341.463 1.450 20 0 EDADLP Cn1ccc(-n2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nn2)n1 ZINC000906280056 592772937 /nfs/dbraw/zinc/77/29/37/592772937.db2.gz IFRVEDJBSMDWCZ-RHSMWYFYSA-N 2 2 341.463 1.450 20 0 EDADLP C/C(=C/C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C[NH+]1CCOCC1 ZINC000907836236 592810770 /nfs/dbraw/zinc/81/07/70/592810770.db2.gz KPYPBXNEOWGXNP-MLRPBERTSA-N 2 2 331.416 1.340 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)C[C@@H]21 ZINC000910399138 592853220 /nfs/dbraw/zinc/85/32/20/592853220.db2.gz MVINEVVMKLHFQF-JKSUJKDBSA-N 2 2 328.416 1.446 20 0 EDADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1(C)C ZINC000910603952 592880179 /nfs/dbraw/zinc/88/01/79/592880179.db2.gz IPOYJUMTSGZMAI-CYBMUJFWSA-N 2 2 333.436 1.016 20 0 EDADLP C[N@H+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1(C)C ZINC000910603952 592880180 /nfs/dbraw/zinc/88/01/80/592880180.db2.gz IPOYJUMTSGZMAI-CYBMUJFWSA-N 2 2 333.436 1.016 20 0 EDADLP CC1(CNC(=O)C(=O)NCC[NH+]2CCC([NH3+])CC2)CCCCCC1 ZINC000911117601 592936517 /nfs/dbraw/zinc/93/65/17/592936517.db2.gz ZDJSXNHMORETPL-UHFFFAOYSA-N 2 2 338.496 1.002 20 0 EDADLP Cc1ccc([C@H](C)NC(=O)C(=O)NCC[NH+]2CCC([NH3+])CC2)cc1C ZINC000911170619 592948443 /nfs/dbraw/zinc/94/84/43/592948443.db2.gz VFXSVMCUQFQVGD-HNNXBMFYSA-N 2 2 346.475 1.020 20 0 EDADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1(C)C ZINC000911577415 592953014 /nfs/dbraw/zinc/95/30/14/592953014.db2.gz BNHPJPIIXQJDCB-DLBZAZTESA-N 2 2 348.491 1.279 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCCCC1CC[NH2+]CC1 ZINC000911229769 592970225 /nfs/dbraw/zinc/97/02/25/592970225.db2.gz MVHRONKHLYQRDX-OAHLLOKOSA-N 2 2 349.479 1.064 20 0 EDADLP CC[C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911817810 593022759 /nfs/dbraw/zinc/02/27/59/593022759.db2.gz HGCLDRFLWTXLMA-IXDOHACOSA-N 2 2 325.497 1.900 20 0 EDADLP CC[C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911817810 593022760 /nfs/dbraw/zinc/02/27/60/593022760.db2.gz HGCLDRFLWTXLMA-IXDOHACOSA-N 2 2 325.497 1.900 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000912533890 593103863 /nfs/dbraw/zinc/10/38/63/593103863.db2.gz VJELZENXULDJNJ-OAHLLOKOSA-N 2 2 341.415 1.367 20 0 EDADLP Cc1cc(F)ncc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000866981354 593128081 /nfs/dbraw/zinc/12/80/81/593128081.db2.gz GLKCAOLXFHLGCC-XYPWUTKMSA-N 2 2 346.450 1.912 20 0 EDADLP Cc1cc(F)ncc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000866981354 593128083 /nfs/dbraw/zinc/12/80/83/593128083.db2.gz GLKCAOLXFHLGCC-XYPWUTKMSA-N 2 2 346.450 1.912 20 0 EDADLP Cn1cc([C@H]2N(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C(=O)C2(C)C)cn1 ZINC000808173417 593234146 /nfs/dbraw/zinc/23/41/46/593234146.db2.gz IKWGBOJGLNAMHL-UKRRQHHQSA-N 2 2 342.447 1.510 20 0 EDADLP Cn1cc([C@H]2N(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C(=O)C2(C)C)cn1 ZINC000808173417 593234147 /nfs/dbraw/zinc/23/41/47/593234147.db2.gz IKWGBOJGLNAMHL-UKRRQHHQSA-N 2 2 342.447 1.510 20 0 EDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NCc3cn(C)c[nH+]3)cc2)CC1 ZINC000808399651 593256951 /nfs/dbraw/zinc/25/69/51/593256951.db2.gz QSAUTYSMESFBTE-UHFFFAOYSA-N 2 2 341.459 1.739 20 0 EDADLP COC(=O)COc1c(C)cc(C[NH2+]CCc2cn(C)c[nH+]2)cc1C ZINC000839148849 593265019 /nfs/dbraw/zinc/26/50/19/593265019.db2.gz NALMIFZLROBTCW-UHFFFAOYSA-N 2 2 331.416 1.921 20 0 EDADLP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000809423890 593337579 /nfs/dbraw/zinc/33/75/79/593337579.db2.gz AQKURRIPZDVZNH-OAHLLOKOSA-N 2 2 326.412 1.663 20 0 EDADLP COC[C@@H](C)OC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000867014525 593339725 /nfs/dbraw/zinc/33/97/25/593339725.db2.gz GSTYWXBYDBXWLV-JZWPEALZSA-N 2 2 325.453 1.401 20 0 EDADLP COC[C@@H](C)OC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000867014525 593339727 /nfs/dbraw/zinc/33/97/27/593339727.db2.gz GSTYWXBYDBXWLV-JZWPEALZSA-N 2 2 325.453 1.401 20 0 EDADLP COC(=O)CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C[C@H]1CCCO1 ZINC000809578767 593347776 /nfs/dbraw/zinc/34/77/76/593347776.db2.gz QKIURSZOCNRFAH-CYBMUJFWSA-N 2 2 341.477 1.749 20 0 EDADLP COC(=O)CC[N@H+](Cc1ncc(C[NH+](C)C)s1)C[C@H]1CCCO1 ZINC000809578767 593347779 /nfs/dbraw/zinc/34/77/79/593347779.db2.gz QKIURSZOCNRFAH-CYBMUJFWSA-N 2 2 341.477 1.749 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000840029972 593393781 /nfs/dbraw/zinc/39/37/81/593393781.db2.gz AESGZGKGXAVMTD-AEFFLSMTSA-N 2 2 332.448 1.641 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000840029972 593393783 /nfs/dbraw/zinc/39/37/83/593393783.db2.gz AESGZGKGXAVMTD-AEFFLSMTSA-N 2 2 332.448 1.641 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)[C@]2(CCCO2)[C@H]1C(C)C ZINC000840030020 593394150 /nfs/dbraw/zinc/39/41/50/593394150.db2.gz AGXBZXZKOMQJCV-AEFFLSMTSA-N 2 2 334.464 1.887 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)[C@]2(CCCO2)[C@H]1C(C)C ZINC000840030020 593394153 /nfs/dbraw/zinc/39/41/53/593394153.db2.gz AGXBZXZKOMQJCV-AEFFLSMTSA-N 2 2 334.464 1.887 20 0 EDADLP O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cc(F)cc(Cl)c1 ZINC000817926841 593649218 /nfs/dbraw/zinc/64/92/18/593649218.db2.gz AUHLFIFPTFUSQY-PMPSAXMXSA-N 2 2 328.815 1.869 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000819143986 593741197 /nfs/dbraw/zinc/74/11/97/593741197.db2.gz SALOGBIAFKCMCW-UMVBOHGHSA-N 2 2 327.469 1.477 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000819143986 593741198 /nfs/dbraw/zinc/74/11/98/593741198.db2.gz SALOGBIAFKCMCW-UMVBOHGHSA-N 2 2 327.469 1.477 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000819222286 593745035 /nfs/dbraw/zinc/74/50/35/593745035.db2.gz OQCBRGWDEFSLQF-DLBZAZTESA-N 2 2 342.443 1.543 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cn2)cc1 ZINC000823825495 593868917 /nfs/dbraw/zinc/86/89/17/593868917.db2.gz QFJZSCPGDWBEPN-PKOBYXMFSA-N 2 2 342.443 1.834 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)cn2)cc1 ZINC000823825495 593868918 /nfs/dbraw/zinc/86/89/18/593868918.db2.gz QFJZSCPGDWBEPN-PKOBYXMFSA-N 2 2 342.443 1.834 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000820750361 593880317 /nfs/dbraw/zinc/88/03/17/593880317.db2.gz BBKSNCSPGOGTBV-DOMZBBRYSA-N 2 2 332.477 1.640 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000820750361 593880320 /nfs/dbraw/zinc/88/03/20/593880320.db2.gz BBKSNCSPGOGTBV-DOMZBBRYSA-N 2 2 332.477 1.640 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000820750365 593880392 /nfs/dbraw/zinc/88/03/92/593880392.db2.gz BBKSNCSPGOGTBV-WFASDCNBSA-N 2 2 332.477 1.640 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000820750365 593880394 /nfs/dbraw/zinc/88/03/94/593880394.db2.gz BBKSNCSPGOGTBV-WFASDCNBSA-N 2 2 332.477 1.640 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000821374290 594030981 /nfs/dbraw/zinc/03/09/81/594030981.db2.gz NURPYKJWIMSKFV-QGZVFWFLSA-N 2 2 349.475 1.894 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000821374290 594030983 /nfs/dbraw/zinc/03/09/83/594030983.db2.gz NURPYKJWIMSKFV-QGZVFWFLSA-N 2 2 349.475 1.894 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000821374290 594030985 /nfs/dbraw/zinc/03/09/85/594030985.db2.gz NURPYKJWIMSKFV-QGZVFWFLSA-N 2 2 349.475 1.894 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000821374290 594030987 /nfs/dbraw/zinc/03/09/87/594030987.db2.gz NURPYKJWIMSKFV-QGZVFWFLSA-N 2 2 349.475 1.894 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553284 594037631 /nfs/dbraw/zinc/03/76/31/594037631.db2.gz BAGQQSBZKGVXIH-ZYHUDNBSSA-N 2 2 327.367 1.868 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000824583167 594042188 /nfs/dbraw/zinc/04/21/88/594042188.db2.gz IJTHLHUSTYDFRS-RBSFLKMASA-N 2 2 348.434 1.790 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000824583167 594042190 /nfs/dbraw/zinc/04/21/90/594042190.db2.gz IJTHLHUSTYDFRS-RBSFLKMASA-N 2 2 348.434 1.790 20 0 EDADLP COCC1(c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)CC[NH2+]CC1 ZINC000822831026 594107945 /nfs/dbraw/zinc/10/79/45/594107945.db2.gz BMBRNTZIDSQUQP-UHFFFAOYSA-N 2 2 340.387 1.585 20 0 EDADLP CC[NH+]1CCC([N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000825450769 594186753 /nfs/dbraw/zinc/18/67/53/594186753.db2.gz CNCIXVDUHBOPCU-UHFFFAOYSA-N 2 2 330.436 1.791 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000825450769 594186754 /nfs/dbraw/zinc/18/67/54/594186754.db2.gz CNCIXVDUHBOPCU-UHFFFAOYSA-N 2 2 330.436 1.791 20 0 EDADLP COC(=O)/C=C/c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000827549186 594230126 /nfs/dbraw/zinc/23/01/26/594230126.db2.gz DBPHQIYBBOMMLG-MBVDDHJVSA-N 2 2 334.416 1.809 20 0 EDADLP C[NH+]1CCN(C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000825738458 594234642 /nfs/dbraw/zinc/23/46/42/594234642.db2.gz OLYZQZFSUUZDCT-MRXNPFEDSA-N 2 2 327.432 1.057 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826159757 594354738 /nfs/dbraw/zinc/35/47/38/594354738.db2.gz QNRLYQLKHMMHMK-CJNGLKHVSA-N 2 2 330.436 1.628 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826159757 594354741 /nfs/dbraw/zinc/35/47/41/594354741.db2.gz QNRLYQLKHMMHMK-CJNGLKHVSA-N 2 2 330.436 1.628 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000826168245 594359501 /nfs/dbraw/zinc/35/95/01/594359501.db2.gz HBCCBDNJVCVBLD-UHFFFAOYSA-N 2 2 330.436 1.838 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826194691 594372994 /nfs/dbraw/zinc/37/29/94/594372994.db2.gz SSMDHZCAKFQRQP-ZDUSSCGKSA-N 2 2 339.403 1.978 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826194691 594372995 /nfs/dbraw/zinc/37/29/95/594372995.db2.gz SSMDHZCAKFQRQP-ZDUSSCGKSA-N 2 2 339.403 1.978 20 0 EDADLP Cc1cc[nH+]c(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1-c1nn[nH]n1 ZINC000826309101 594418126 /nfs/dbraw/zinc/41/81/26/594418126.db2.gz DGPUPMCVELKKKM-CYBMUJFWSA-N 2 2 345.451 1.099 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000830550628 594420403 /nfs/dbraw/zinc/42/04/03/594420403.db2.gz ZYYKKGMARTXVNV-UYAOXDASSA-N 2 2 342.487 1.837 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000830550628 594420405 /nfs/dbraw/zinc/42/04/05/594420405.db2.gz ZYYKKGMARTXVNV-UYAOXDASSA-N 2 2 342.487 1.837 20 0 EDADLP Fc1cccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)c1-c1nn[nH]n1 ZINC000826377596 594450602 /nfs/dbraw/zinc/45/06/02/594450602.db2.gz YHOHIBYEPHULME-UHFFFAOYSA-N 2 2 342.382 1.025 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000826606192 594538807 /nfs/dbraw/zinc/53/88/07/594538807.db2.gz YDVRNKGCJTVFJW-SFHVURJKSA-N 2 2 342.443 1.599 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000826606192 594538808 /nfs/dbraw/zinc/53/88/08/594538808.db2.gz YDVRNKGCJTVFJW-SFHVURJKSA-N 2 2 342.443 1.599 20 0 EDADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000826846631 594587566 /nfs/dbraw/zinc/58/75/66/594587566.db2.gz RLQYRUDYHKQXDO-GFCCVEGCSA-N 2 2 345.365 1.967 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831263672 594594695 /nfs/dbraw/zinc/59/46/95/594594695.db2.gz NJOWDNBVKQAALE-INIZCTEOSA-N 2 2 333.480 1.989 20 0 EDADLP Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1NC(=O)CC[NH+](C)C ZINC000832267161 594738999 /nfs/dbraw/zinc/73/89/99/594738999.db2.gz ZNCMALQUFDOFIX-UHFFFAOYSA-N 2 2 329.404 1.790 20 0 EDADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C[C@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000832596791 594762612 /nfs/dbraw/zinc/76/26/12/594762612.db2.gz HUGUANZZXHNJPV-ARFHVFGLSA-N 2 2 339.480 1.384 20 0 EDADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000832596791 594762613 /nfs/dbraw/zinc/76/26/13/594762613.db2.gz HUGUANZZXHNJPV-ARFHVFGLSA-N 2 2 339.480 1.384 20 0 EDADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000841010096 594838667 /nfs/dbraw/zinc/83/86/67/594838667.db2.gz ZBKDOMADGRFJKN-HNNXBMFYSA-N 2 2 343.431 1.511 20 0 EDADLP Cc1cc(Br)nc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000841257593 594877071 /nfs/dbraw/zinc/87/70/71/594877071.db2.gz SIHBHOQRFYSDKF-SNVBAGLBSA-N 2 2 342.241 1.259 20 0 EDADLP Cc1cc(Br)nc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000841257593 594877074 /nfs/dbraw/zinc/87/70/74/594877074.db2.gz SIHBHOQRFYSDKF-SNVBAGLBSA-N 2 2 342.241 1.259 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)C[C@@H]21 ZINC000841691741 594938547 /nfs/dbraw/zinc/93/85/47/594938547.db2.gz RYEFVGCUTDVAAK-HRCADAONSA-N 2 2 340.431 1.536 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cn1 ZINC000841722401 594943574 /nfs/dbraw/zinc/94/35/74/594943574.db2.gz NOWXTYGUPJGOHC-CHWSQXEVSA-N 2 2 328.420 1.468 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cn1 ZINC000841722428 594943628 /nfs/dbraw/zinc/94/36/28/594943628.db2.gz NUSOOXXCWTVYQD-OLZOCXBDSA-N 2 2 328.420 1.468 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC000841838282 594961815 /nfs/dbraw/zinc/96/18/15/594961815.db2.gz VSKLLJIPHNOGST-UHFFFAOYSA-N 2 2 345.491 1.854 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N3CCC([NH3+])CC3)CC2)cc1 ZINC000841838282 594961816 /nfs/dbraw/zinc/96/18/16/594961816.db2.gz VSKLLJIPHNOGST-UHFFFAOYSA-N 2 2 345.491 1.854 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000867198390 595015383 /nfs/dbraw/zinc/01/53/83/595015383.db2.gz JRCINKKGQUEBOA-OAHLLOKOSA-N 2 2 340.493 1.415 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCCCCC[NH3+])c1 ZINC000843050390 595274491 /nfs/dbraw/zinc/27/44/91/595274491.db2.gz FOFWVRPOWLMGDP-UHFFFAOYSA-N 2 2 343.431 1.661 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](O)c1c(F)cccc1F ZINC000843093624 595286588 /nfs/dbraw/zinc/28/65/88/595286588.db2.gz FYFBCIWBFXMHBU-ISTRZQFTSA-N 2 2 328.403 1.822 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](O)c1c(F)cccc1F ZINC000843093624 595286589 /nfs/dbraw/zinc/28/65/89/595286589.db2.gz FYFBCIWBFXMHBU-ISTRZQFTSA-N 2 2 328.403 1.822 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000844175013 595292325 /nfs/dbraw/zinc/29/23/25/595292325.db2.gz BPFFWSIEGZQOFC-KRWDZBQOSA-N 2 2 325.497 1.855 20 0 EDADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218109 595305095 /nfs/dbraw/zinc/30/50/95/595305095.db2.gz RMLCDDMYDHXLTE-INIZCTEOSA-N 2 2 332.448 1.146 20 0 EDADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218109 595305097 /nfs/dbraw/zinc/30/50/97/595305097.db2.gz RMLCDDMYDHXLTE-INIZCTEOSA-N 2 2 332.448 1.146 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000844223370 595308065 /nfs/dbraw/zinc/30/80/65/595308065.db2.gz VLIMUWVWMATYIK-OAGGEKHMSA-N 2 2 328.460 1.765 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000844223370 595308068 /nfs/dbraw/zinc/30/80/68/595308068.db2.gz VLIMUWVWMATYIK-OAGGEKHMSA-N 2 2 328.460 1.765 20 0 EDADLP C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000844224084 595308144 /nfs/dbraw/zinc/30/81/44/595308144.db2.gz FSBQTPDKHNNQDU-CABCVRRESA-N 2 2 345.491 1.679 20 0 EDADLP C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000844224084 595308145 /nfs/dbraw/zinc/30/81/45/595308145.db2.gz FSBQTPDKHNNQDU-CABCVRRESA-N 2 2 345.491 1.679 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844225694 595309001 /nfs/dbraw/zinc/30/90/01/595309001.db2.gz GCPJMRISXKFANS-INIZCTEOSA-N 2 2 334.464 1.425 20 0 EDADLP CCN1C[C@H](C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)OC1=O ZINC000846770295 595314997 /nfs/dbraw/zinc/31/49/97/595314997.db2.gz PMARACSZEMZIDW-HNNXBMFYSA-N 2 2 347.463 1.871 20 0 EDADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846825460 595321863 /nfs/dbraw/zinc/32/18/63/595321863.db2.gz VOSCGJPQXUQRIU-MAUKXSAKSA-N 2 2 341.496 1.821 20 0 EDADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846825460 595321867 /nfs/dbraw/zinc/32/18/67/595321867.db2.gz VOSCGJPQXUQRIU-MAUKXSAKSA-N 2 2 341.496 1.821 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000846837162 595323557 /nfs/dbraw/zinc/32/35/57/595323557.db2.gz XJNGDGMZNMHEJI-HOCLYGCPSA-N 2 2 349.456 1.347 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000846837162 595323560 /nfs/dbraw/zinc/32/35/60/595323560.db2.gz XJNGDGMZNMHEJI-HOCLYGCPSA-N 2 2 349.456 1.347 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000846876184 595330965 /nfs/dbraw/zinc/33/09/65/595330965.db2.gz YZGPMMFRBXUPOJ-AWEZNQCLSA-N 2 2 326.868 1.936 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000846876184 595330968 /nfs/dbraw/zinc/33/09/68/595330968.db2.gz YZGPMMFRBXUPOJ-AWEZNQCLSA-N 2 2 326.868 1.936 20 0 EDADLP C[N@H+](CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O)[C@@H]1CCOC1 ZINC000844693298 595374542 /nfs/dbraw/zinc/37/45/42/595374542.db2.gz WHXSLHOEIQNZCF-OTWHNJEPSA-N 2 2 343.471 1.645 20 0 EDADLP C[N@@H+](CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O)[C@@H]1CCOC1 ZINC000844693298 595374545 /nfs/dbraw/zinc/37/45/45/595374545.db2.gz WHXSLHOEIQNZCF-OTWHNJEPSA-N 2 2 343.471 1.645 20 0 EDADLP C[NH+](CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O)[C@@H]1CCOC1 ZINC000844693298 595374548 /nfs/dbraw/zinc/37/45/48/595374548.db2.gz WHXSLHOEIQNZCF-OTWHNJEPSA-N 2 2 343.471 1.645 20 0 EDADLP C[NH+](CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O)[C@@H]1CCOC1 ZINC000844693298 595374550 /nfs/dbraw/zinc/37/45/50/595374550.db2.gz WHXSLHOEIQNZCF-OTWHNJEPSA-N 2 2 343.471 1.645 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](OC3CCC3)C2)C1 ZINC000848496486 595396221 /nfs/dbraw/zinc/39/62/21/595396221.db2.gz DAUCEHGGEHZFRV-ZBFHGGJFSA-N 2 2 332.448 1.727 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](OC3CCC3)C2)C1 ZINC000848496486 595396224 /nfs/dbraw/zinc/39/62/24/595396224.db2.gz DAUCEHGGEHZFRV-ZBFHGGJFSA-N 2 2 332.448 1.727 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000844868274 595404994 /nfs/dbraw/zinc/40/49/94/595404994.db2.gz UENDZRHUVXTVBO-UHFFFAOYSA-N 2 2 342.447 1.895 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000844900904 595410443 /nfs/dbraw/zinc/41/04/43/595410443.db2.gz SHBWEVFWDZCRBK-UHFFFAOYSA-N 2 2 331.460 1.796 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000845162529 595453719 /nfs/dbraw/zinc/45/37/19/595453719.db2.gz CYZGUVBLLXJMRX-HNNXBMFYSA-N 2 2 336.399 1.651 20 0 EDADLP Cn1c[nH+]cc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849084614 595479546 /nfs/dbraw/zinc/47/95/46/595479546.db2.gz BOHWUNSMLZHTAN-UHFFFAOYSA-N 3 2 326.448 1.699 20 0 EDADLP C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000849093812 595480535 /nfs/dbraw/zinc/48/05/35/595480535.db2.gz KFLRWQRPSNADPR-IRXDYDNUSA-N 2 2 345.491 1.442 20 0 EDADLP Cc1ccc2nc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)[nH]c2c1 ZINC000849096807 595481298 /nfs/dbraw/zinc/48/12/98/595481298.db2.gz XEJSMSYRMBDNLK-UHFFFAOYSA-N 2 2 330.436 1.208 20 0 EDADLP CN1CCC[NH+]=C1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000849111421 595483729 /nfs/dbraw/zinc/48/37/29/595483729.db2.gz NQLPACDANQXPQH-UHFFFAOYSA-N 2 2 332.448 1.179 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc(C(F)F)c1 ZINC000849428779 595524805 /nfs/dbraw/zinc/52/48/05/595524805.db2.gz FFIQQRYFXWWBAE-UHFFFAOYSA-N 2 2 349.447 1.786 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc(C(F)F)c1 ZINC000849428779 595524806 /nfs/dbraw/zinc/52/48/06/595524806.db2.gz FFIQQRYFXWWBAE-UHFFFAOYSA-N 2 2 349.447 1.786 20 0 EDADLP CCN1C[C@H](C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)OC1=O ZINC000860030151 595549496 /nfs/dbraw/zinc/54/94/96/595549496.db2.gz KCVWWMKZVGIWNM-HNNXBMFYSA-N 2 2 325.453 1.404 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)[C@@H](c2cnn(C)c2)C1 ZINC000849529779 595559931 /nfs/dbraw/zinc/55/99/31/595559931.db2.gz JWDOEPZEZIRXRV-LSDHHAIUSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C(=O)NCc2[nH]cc[nH+]2)[C@@H](c2cnn(C)c2)C1 ZINC000849529779 595559933 /nfs/dbraw/zinc/55/99/33/595559933.db2.gz JWDOEPZEZIRXRV-LSDHHAIUSA-N 2 2 330.436 1.274 20 0 EDADLP O=C(C=C1CC[NH2+]CC1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000852856993 595578072 /nfs/dbraw/zinc/57/80/72/595578072.db2.gz IFVXHIIQCVAEBA-GOSISDBHSA-N 2 2 329.444 1.486 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849609454 595594643 /nfs/dbraw/zinc/59/46/43/595594643.db2.gz XDXXMUJWSNLENS-IRXDYDNUSA-N 2 2 344.463 1.616 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849609454 595594645 /nfs/dbraw/zinc/59/46/45/595594645.db2.gz XDXXMUJWSNLENS-IRXDYDNUSA-N 2 2 344.463 1.616 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H](c2cnn(C)c2)C1 ZINC000849609454 595594648 /nfs/dbraw/zinc/59/46/48/595594648.db2.gz XDXXMUJWSNLENS-IRXDYDNUSA-N 2 2 344.463 1.616 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H](c2cnn(C)c2)C1 ZINC000849609454 595594651 /nfs/dbraw/zinc/59/46/51/595594651.db2.gz XDXXMUJWSNLENS-IRXDYDNUSA-N 2 2 344.463 1.616 20 0 EDADLP [NH3+][C@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C1CC1 ZINC000852901256 595605944 /nfs/dbraw/zinc/60/59/44/595605944.db2.gz DKLNMDFCXAHBFA-KURKYZTESA-N 2 2 329.444 1.226 20 0 EDADLP [NH3+][C@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C1CC1 ZINC000852901256 595605947 /nfs/dbraw/zinc/60/59/47/595605947.db2.gz DKLNMDFCXAHBFA-KURKYZTESA-N 2 2 329.444 1.226 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncsc1Br ZINC000855414764 595704500 /nfs/dbraw/zinc/70/45/00/595704500.db2.gz LDINMUKTGDDMSG-UHFFFAOYSA-N 2 2 349.298 1.519 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncsc1Br ZINC000855414764 595704501 /nfs/dbraw/zinc/70/45/01/595704501.db2.gz LDINMUKTGDDMSG-UHFFFAOYSA-N 2 2 349.298 1.519 20 0 EDADLP COc1cccc2cc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)oc21 ZINC000858224836 595735745 /nfs/dbraw/zinc/73/57/45/595735745.db2.gz UDOZYEMGCMBBEH-HNNXBMFYSA-N 2 2 331.416 1.871 20 0 EDADLP COc1cccc2cc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)oc21 ZINC000858224836 595735746 /nfs/dbraw/zinc/73/57/46/595735746.db2.gz UDOZYEMGCMBBEH-HNNXBMFYSA-N 2 2 331.416 1.871 20 0 EDADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc[nH+]c(CO)c3)CC2)n1 ZINC000858437736 595795190 /nfs/dbraw/zinc/79/51/90/595795190.db2.gz MXCQSKOWHYWGER-CYBMUJFWSA-N 2 2 347.419 1.377 20 0 EDADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc[nH+]c(CO)c3)CC2)n1 ZINC000858437736 595795193 /nfs/dbraw/zinc/79/51/93/595795193.db2.gz MXCQSKOWHYWGER-CYBMUJFWSA-N 2 2 347.419 1.377 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000858466275 595803559 /nfs/dbraw/zinc/80/35/59/595803559.db2.gz BTTGIZCGDWNWHP-XJFOESAGSA-N 2 2 329.535 1.295 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000858466275 595803562 /nfs/dbraw/zinc/80/35/62/595803562.db2.gz BTTGIZCGDWNWHP-XJFOESAGSA-N 2 2 329.535 1.295 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+]2CCC([C@H]3CCCCO3)CC2)C1 ZINC000853573287 595809469 /nfs/dbraw/zinc/80/94/69/595809469.db2.gz WXROEJNDFDINJK-FUHWJXTLSA-N 2 2 346.475 1.975 20 0 EDADLP CC(C)CCO[C@@H]1CC[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000853635519 595841941 /nfs/dbraw/zinc/84/19/41/595841941.db2.gz BXQFTANAJAFNLI-JKSUJKDBSA-N 2 2 334.464 1.831 20 0 EDADLP CC(C)CCO[C@@H]1CC[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000853635519 595841945 /nfs/dbraw/zinc/84/19/45/595841945.db2.gz BXQFTANAJAFNLI-JKSUJKDBSA-N 2 2 334.464 1.831 20 0 EDADLP CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000851868860 595955040 /nfs/dbraw/zinc/95/50/40/595955040.db2.gz WJRFVCYXODOMRF-OLZOCXBDSA-N 2 2 331.353 1.794 20 0 EDADLP CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000851868860 595955044 /nfs/dbraw/zinc/95/50/44/595955044.db2.gz WJRFVCYXODOMRF-OLZOCXBDSA-N 2 2 331.353 1.794 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000851945437 595980496 /nfs/dbraw/zinc/98/04/96/595980496.db2.gz AGZQFWNFMNSEIX-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000851945437 595980500 /nfs/dbraw/zinc/98/05/00/595980500.db2.gz AGZQFWNFMNSEIX-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000851948815 595982323 /nfs/dbraw/zinc/98/23/23/595982323.db2.gz ZZVOSJIEKWPPEH-HNNXBMFYSA-N 2 2 342.447 1.939 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000851948815 595982326 /nfs/dbraw/zinc/98/23/26/595982326.db2.gz ZZVOSJIEKWPPEH-HNNXBMFYSA-N 2 2 342.447 1.939 20 0 EDADLP CCCCCC[C@](O)(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C(=O)OC ZINC000851989232 595998438 /nfs/dbraw/zinc/99/84/38/595998438.db2.gz SKMWNEQJTJUDAU-KRWDZBQOSA-N 2 2 338.452 1.406 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nncn3C)C2)ccn1 ZINC000856603067 596031993 /nfs/dbraw/zinc/03/19/93/596031993.db2.gz ZVOXNLPDUXVZDD-KRWDZBQOSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nncn3C)C2)ccn1 ZINC000856603067 596031995 /nfs/dbraw/zinc/03/19/95/596031995.db2.gz ZVOXNLPDUXVZDD-KRWDZBQOSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nncn3C)C2)ccn1 ZINC000856603067 596031999 /nfs/dbraw/zinc/03/19/99/596031999.db2.gz ZVOXNLPDUXVZDD-KRWDZBQOSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nncn3C)C2)ccn1 ZINC000856603067 596032001 /nfs/dbraw/zinc/03/20/01/596032001.db2.gz ZVOXNLPDUXVZDD-KRWDZBQOSA-N 2 2 344.463 1.704 20 0 EDADLP O=C1O[C@@H](C[NH+]2CCC([NH+]3CCOCC3)CC2)CN1c1ccccc1 ZINC000859354344 596060925 /nfs/dbraw/zinc/06/09/25/596060925.db2.gz XKOOTUKLHYBVSI-SFHVURJKSA-N 2 2 345.443 1.808 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000859774696 596193909 /nfs/dbraw/zinc/19/39/09/596193909.db2.gz SSBUUNDHGUJYSH-UHFFFAOYSA-N 2 2 347.459 1.237 20 0 EDADLP O=c1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c2ccc(O)cc2o1 ZINC000852711924 596231340 /nfs/dbraw/zinc/23/13/40/596231340.db2.gz WTDHAIRDEFISHL-MRXNPFEDSA-N 2 2 344.411 1.530 20 0 EDADLP O=c1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c2ccc(O)cc2o1 ZINC000852711924 596231342 /nfs/dbraw/zinc/23/13/42/596231342.db2.gz WTDHAIRDEFISHL-MRXNPFEDSA-N 2 2 344.411 1.530 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1)c1ccco1 ZINC000864510978 596252544 /nfs/dbraw/zinc/25/25/44/596252544.db2.gz KJDMNVDEXHBZQR-QWHCGFSZSA-N 2 2 329.391 1.976 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)c1ccco1 ZINC000864510978 596252547 /nfs/dbraw/zinc/25/25/47/596252547.db2.gz KJDMNVDEXHBZQR-QWHCGFSZSA-N 2 2 329.391 1.976 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866674209 596289345 /nfs/dbraw/zinc/28/93/45/596289345.db2.gz VJWXGBDEPJVJTH-RHSMWYFYSA-N 2 2 334.464 1.946 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866674209 596289348 /nfs/dbraw/zinc/28/93/48/596289348.db2.gz VJWXGBDEPJVJTH-RHSMWYFYSA-N 2 2 334.464 1.946 20 0 EDADLP Cc1[nH]c(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)[nH+]c1C ZINC000862358467 596308547 /nfs/dbraw/zinc/30/85/47/596308547.db2.gz IVIAGYHDDAJZIC-CQSZACIVSA-N 2 2 337.468 1.667 20 0 EDADLP Cc1[nH]c(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)[nH+]c1C ZINC000862358467 596308549 /nfs/dbraw/zinc/30/85/49/596308549.db2.gz IVIAGYHDDAJZIC-CQSZACIVSA-N 2 2 337.468 1.667 20 0 EDADLP C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000864808197 596367401 /nfs/dbraw/zinc/36/74/01/596367401.db2.gz GWJCHFQUCYZRRN-BBOMDTFKSA-N 2 2 343.471 1.438 20 0 EDADLP C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000864808197 596367405 /nfs/dbraw/zinc/36/74/05/596367405.db2.gz GWJCHFQUCYZRRN-BBOMDTFKSA-N 2 2 343.471 1.438 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000864862453 596393987 /nfs/dbraw/zinc/39/39/87/596393987.db2.gz IQIHZLKHWJNSHL-OAHLLOKOSA-N 2 2 346.466 1.107 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000864862453 596393990 /nfs/dbraw/zinc/39/39/90/596393990.db2.gz IQIHZLKHWJNSHL-OAHLLOKOSA-N 2 2 346.466 1.107 20 0 EDADLP O=C(CC[NH2+]CC1CC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000870916274 596402148 /nfs/dbraw/zinc/40/21/48/596402148.db2.gz FQMRTJOLONQDDI-UHFFFAOYSA-N 2 2 341.459 1.368 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC000862755695 596405685 /nfs/dbraw/zinc/40/56/85/596405685.db2.gz LQANCZVTEHAZHJ-INIZCTEOSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC000862755695 596405687 /nfs/dbraw/zinc/40/56/87/596405687.db2.gz LQANCZVTEHAZHJ-INIZCTEOSA-N 2 2 331.460 1.870 20 0 EDADLP C[C@@H](CNC(=O)Cc1cn2cc(F)ccc2[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869189686 596440351 /nfs/dbraw/zinc/44/03/51/596440351.db2.gz KZHUWTVMUYEXAU-MELADBBJSA-N 2 2 348.422 1.630 20 0 EDADLP C[C@@H](CNC(=O)Cc1cn2cc(F)ccc2[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869189686 596440355 /nfs/dbraw/zinc/44/03/55/596440355.db2.gz KZHUWTVMUYEXAU-MELADBBJSA-N 2 2 348.422 1.630 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190903 596441090 /nfs/dbraw/zinc/44/10/90/596441090.db2.gz WDNQWAYDVNNAAI-XQLPTFJDSA-N 2 2 347.450 1.577 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190903 596441093 /nfs/dbraw/zinc/44/10/93/596441093.db2.gz WDNQWAYDVNNAAI-XQLPTFJDSA-N 2 2 347.450 1.577 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+](CC(F)F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190903 596441096 /nfs/dbraw/zinc/44/10/96/596441096.db2.gz WDNQWAYDVNNAAI-XQLPTFJDSA-N 2 2 347.450 1.577 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+](CC(F)F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190903 596441098 /nfs/dbraw/zinc/44/10/98/596441098.db2.gz WDNQWAYDVNNAAI-XQLPTFJDSA-N 2 2 347.450 1.577 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CCC1(C)C ZINC000871153413 596481560 /nfs/dbraw/zinc/48/15/60/596481560.db2.gz GFTWLCFRTMEJAS-KRWDZBQOSA-N 2 2 330.476 1.989 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CCC1(C)C ZINC000871153413 596481562 /nfs/dbraw/zinc/48/15/62/596481562.db2.gz GFTWLCFRTMEJAS-KRWDZBQOSA-N 2 2 330.476 1.989 20 0 EDADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CCC1(C)C ZINC000871153413 596481564 /nfs/dbraw/zinc/48/15/64/596481564.db2.gz GFTWLCFRTMEJAS-KRWDZBQOSA-N 2 2 330.476 1.989 20 0 EDADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CCC1(C)C ZINC000871153413 596481566 /nfs/dbraw/zinc/48/15/66/596481566.db2.gz GFTWLCFRTMEJAS-KRWDZBQOSA-N 2 2 330.476 1.989 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000871280661 596520877 /nfs/dbraw/zinc/52/08/77/596520877.db2.gz IUPPMBGHMUOAHM-GOSISDBHSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000871280661 596520879 /nfs/dbraw/zinc/52/08/79/596520879.db2.gz IUPPMBGHMUOAHM-GOSISDBHSA-N 2 2 342.443 1.517 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2C)CCO1)C1CC1 ZINC000871285702 596525258 /nfs/dbraw/zinc/52/52/58/596525258.db2.gz VJVQYBRKIZMJMF-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2C)CCO1)C1CC1 ZINC000871285702 596525261 /nfs/dbraw/zinc/52/52/61/596525261.db2.gz VJVQYBRKIZMJMF-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1)C1CC1 ZINC000871285702 596525263 /nfs/dbraw/zinc/52/52/63/596525263.db2.gz VJVQYBRKIZMJMF-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1)C1CC1 ZINC000871285702 596525264 /nfs/dbraw/zinc/52/52/64/596525264.db2.gz VJVQYBRKIZMJMF-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000867775707 596543588 /nfs/dbraw/zinc/54/35/88/596543588.db2.gz HEZSOMOYNDWSGC-HNNXBMFYSA-N 2 2 347.463 1.281 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000867775707 596543592 /nfs/dbraw/zinc/54/35/92/596543592.db2.gz HEZSOMOYNDWSGC-HNNXBMFYSA-N 2 2 347.463 1.281 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867793925 596553216 /nfs/dbraw/zinc/55/32/16/596553216.db2.gz MIEUEBLZHOXLLU-QGZVFWFLSA-N 2 2 337.489 1.578 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867793925 596553219 /nfs/dbraw/zinc/55/32/19/596553219.db2.gz MIEUEBLZHOXLLU-QGZVFWFLSA-N 2 2 337.489 1.578 20 0 EDADLP C[C@H](O)c1ccc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000865444524 596576819 /nfs/dbraw/zinc/57/68/19/596576819.db2.gz QXRPIYCJLRJQRC-AWEZNQCLSA-N 2 2 332.448 1.125 20 0 EDADLP COCC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000865449759 596578588 /nfs/dbraw/zinc/57/85/88/596578588.db2.gz DOGLLBQSSZSJMJ-UONOGXRCSA-N 2 2 327.469 1.743 20 0 EDADLP COCC[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000865449759 596578591 /nfs/dbraw/zinc/57/85/91/596578591.db2.gz DOGLLBQSSZSJMJ-UONOGXRCSA-N 2 2 327.469 1.743 20 0 EDADLP CCc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)[nH]n1 ZINC000865462907 596582323 /nfs/dbraw/zinc/58/23/23/596582323.db2.gz VQVFNUFBUBACRY-UHFFFAOYSA-N 2 2 344.459 1.973 20 0 EDADLP Nc1nc(N2CC[NH+](CC3CCOCC3)CC2)nc(C2CCCC2)[nH+]1 ZINC000865546399 596607037 /nfs/dbraw/zinc/60/70/37/596607037.db2.gz UPVPINZQZQCCJK-UHFFFAOYSA-N 2 2 346.479 1.660 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)cc2n1C ZINC000869777698 596628916 /nfs/dbraw/zinc/62/89/16/596628916.db2.gz SYWBLRYJUBBKOV-AWEZNQCLSA-N 2 2 330.432 1.457 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)cc2n1C ZINC000869777698 596628919 /nfs/dbraw/zinc/62/89/19/596628919.db2.gz SYWBLRYJUBBKOV-AWEZNQCLSA-N 2 2 330.432 1.457 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000863652296 596644842 /nfs/dbraw/zinc/64/48/42/596644842.db2.gz VUTMNIQRDHZOFH-HNNXBMFYSA-N 3 2 338.521 1.795 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCC(C)(C)[NH3+])C2)cc1 ZINC000867998714 596649302 /nfs/dbraw/zinc/64/93/02/596649302.db2.gz ZHWQSJPNSQATHU-KRWDZBQOSA-N 2 2 333.476 1.830 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CCC(C)(C)[NH3+])C2)cc1 ZINC000867998714 596649305 /nfs/dbraw/zinc/64/93/05/596649305.db2.gz ZHWQSJPNSQATHU-KRWDZBQOSA-N 2 2 333.476 1.830 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865733673 596663011 /nfs/dbraw/zinc/66/30/11/596663011.db2.gz PNJDATCJHFMOSH-CYBMUJFWSA-N 2 2 346.479 1.801 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865733673 596663014 /nfs/dbraw/zinc/66/30/14/596663014.db2.gz PNJDATCJHFMOSH-CYBMUJFWSA-N 2 2 346.479 1.801 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)n1C ZINC000865780954 596680478 /nfs/dbraw/zinc/68/04/78/596680478.db2.gz UIDGQYPAJYAGEO-NSHDSACASA-N 2 2 329.395 1.079 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)n1C ZINC000865780954 596680479 /nfs/dbraw/zinc/68/04/79/596680479.db2.gz UIDGQYPAJYAGEO-NSHDSACASA-N 2 2 329.395 1.079 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865861117 596703833 /nfs/dbraw/zinc/70/38/33/596703833.db2.gz NRRPZZBMBPICNL-UZCSHQTLSA-N 2 2 349.519 1.988 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865861117 596703834 /nfs/dbraw/zinc/70/38/34/596703834.db2.gz NRRPZZBMBPICNL-UZCSHQTLSA-N 2 2 349.519 1.988 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)Nc3cnc4c(c3)C[NH2+]CC4)cc2C1 ZINC000868168770 596708847 /nfs/dbraw/zinc/70/88/47/596708847.db2.gz XWDXORMUQWBJAZ-UHFFFAOYSA-N 2 2 327.392 1.013 20 0 EDADLP CN1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)Cc2ccc[nH+]c21 ZINC000868211499 596726332 /nfs/dbraw/zinc/72/63/32/596726332.db2.gz QVSNJJAZSJCALW-HOTGVXAUSA-N 2 2 329.448 1.670 20 0 EDADLP CN1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)Cc2ccc[nH+]c21 ZINC000868211499 596726334 /nfs/dbraw/zinc/72/63/34/596726334.db2.gz QVSNJJAZSJCALW-HOTGVXAUSA-N 2 2 329.448 1.670 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)CC[C@@H]21 ZINC000868219957 596731769 /nfs/dbraw/zinc/73/17/69/596731769.db2.gz ODAGHHQMZDIFJO-NEPJUHHUSA-N 2 2 345.369 1.681 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)CC[C@@H]21 ZINC000868219957 596731772 /nfs/dbraw/zinc/73/17/72/596731772.db2.gz ODAGHHQMZDIFJO-NEPJUHHUSA-N 2 2 345.369 1.681 20 0 EDADLP C[NH+](C)C[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)C[C@H]1C[NH+](C)C ZINC000866012813 596758088 /nfs/dbraw/zinc/75/80/88/596758088.db2.gz QXBCVVHPDODMFP-HZPDHXFCSA-N 3 2 332.496 1.474 20 0 EDADLP C[NH+](C)C[C@@H]1CN(c2cc(NCC3CC3)nc[nH+]2)C[C@H]1C[NH+](C)C ZINC000866012813 596758089 /nfs/dbraw/zinc/75/80/89/596758089.db2.gz QXBCVVHPDODMFP-HZPDHXFCSA-N 3 2 332.496 1.474 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC000870157904 596779846 /nfs/dbraw/zinc/77/98/46/596779846.db2.gz SHRODNPHHMSLFO-UHFFFAOYSA-N 2 2 328.416 1.316 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872144187 596809153 /nfs/dbraw/zinc/80/91/53/596809153.db2.gz XBQBCTNTJISXAW-LBPRGKRZSA-N 2 2 331.338 1.695 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872144187 596809150 /nfs/dbraw/zinc/80/91/50/596809150.db2.gz XBQBCTNTJISXAW-LBPRGKRZSA-N 2 2 331.338 1.695 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1OC ZINC000872153115 596814204 /nfs/dbraw/zinc/81/42/04/596814204.db2.gz ZSKHVAOXFUIDCM-HNAYVOBHSA-N 2 2 347.459 1.204 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1OC ZINC000872153115 596814207 /nfs/dbraw/zinc/81/42/07/596814207.db2.gz ZSKHVAOXFUIDCM-HNAYVOBHSA-N 2 2 347.459 1.204 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872153334 596815049 /nfs/dbraw/zinc/81/50/49/596815049.db2.gz JGQKTTZTAAAQOG-FXAWDEMLSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872153334 596815051 /nfs/dbraw/zinc/81/50/51/596815051.db2.gz JGQKTTZTAAAQOG-FXAWDEMLSA-N 2 2 345.487 1.682 20 0 EDADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866236206 596835717 /nfs/dbraw/zinc/83/57/17/596835717.db2.gz VYJNAHWINHVJLJ-SJLPKXTDSA-N 2 2 342.443 1.814 20 0 EDADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866236206 596835719 /nfs/dbraw/zinc/83/57/19/596835719.db2.gz VYJNAHWINHVJLJ-SJLPKXTDSA-N 2 2 342.443 1.814 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CCSC1 ZINC000866333879 596860238 /nfs/dbraw/zinc/86/02/38/596860238.db2.gz OTMPQAOXNWMPJF-SWLSCSKDSA-N 2 2 335.464 1.517 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccnc(-n3cccc3)c2)CC1 ZINC000866353880 596864801 /nfs/dbraw/zinc/86/48/01/596864801.db2.gz VYLPLYCABFZZCH-UHFFFAOYSA-N 2 2 341.459 1.628 20 0 EDADLP CN1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)Cc2ccc[nH+]c21 ZINC000872309856 596877146 /nfs/dbraw/zinc/87/71/46/596877146.db2.gz GUIAPFWHDRQXNI-UHFFFAOYSA-N 2 2 325.416 1.630 20 0 EDADLP CC(=O)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000872903656 597118239 /nfs/dbraw/zinc/11/82/39/597118239.db2.gz QNTOEOVORVYBJF-INIZCTEOSA-N 2 2 336.480 1.166 20 0 EDADLP CC(=O)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000872903656 597118241 /nfs/dbraw/zinc/11/82/41/597118241.db2.gz QNTOEOVORVYBJF-INIZCTEOSA-N 2 2 336.480 1.166 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000874704137 597148922 /nfs/dbraw/zinc/14/89/22/597148922.db2.gz GATAMJCVVJQCJL-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000874704137 597148925 /nfs/dbraw/zinc/14/89/25/597148925.db2.gz GATAMJCVVJQCJL-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000874704137 597148927 /nfs/dbraw/zinc/14/89/27/597148927.db2.gz GATAMJCVVJQCJL-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000874704137 597148932 /nfs/dbraw/zinc/14/89/32/597148932.db2.gz GATAMJCVVJQCJL-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000874708208 597153443 /nfs/dbraw/zinc/15/34/43/597153443.db2.gz JXASUDOQPLPVFZ-RHSMWYFYSA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000874708208 597153445 /nfs/dbraw/zinc/15/34/45/597153445.db2.gz JXASUDOQPLPVFZ-RHSMWYFYSA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000874708208 597153448 /nfs/dbraw/zinc/15/34/48/597153448.db2.gz JXASUDOQPLPVFZ-RHSMWYFYSA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000874708208 597153451 /nfs/dbraw/zinc/15/34/51/597153451.db2.gz JXASUDOQPLPVFZ-RHSMWYFYSA-N 2 2 329.460 1.426 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874890807 597211468 /nfs/dbraw/zinc/21/14/68/597211468.db2.gz ZQMBKJDAVSZOMM-PBHICJAKSA-N 2 2 328.391 1.758 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000873237683 597236085 /nfs/dbraw/zinc/23/60/85/597236085.db2.gz SRCCUYXYTSVTHQ-TZMCWYRMSA-N 2 2 325.478 1.763 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)cn2c1 ZINC000875133151 597295772 /nfs/dbraw/zinc/29/57/72/597295772.db2.gz YIPWAIJYPNSKAY-ZBFHGGJFSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)cn2c1 ZINC000875133151 597295776 /nfs/dbraw/zinc/29/57/76/597295776.db2.gz YIPWAIJYPNSKAY-ZBFHGGJFSA-N 2 2 327.432 1.878 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876710423 597297665 /nfs/dbraw/zinc/29/76/65/597297665.db2.gz KGMXHIGPQVLOIB-NSHGMRRFSA-N 2 2 343.471 1.536 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876710423 597297669 /nfs/dbraw/zinc/29/76/69/597297669.db2.gz KGMXHIGPQVLOIB-NSHGMRRFSA-N 2 2 343.471 1.536 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000876754823 597323211 /nfs/dbraw/zinc/32/32/11/597323211.db2.gz FRPNZUTUPDCAHZ-UNEWFSDZSA-N 2 2 335.423 1.966 20 0 EDADLP CCCC[NH+]1CCC([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876975258 597402883 /nfs/dbraw/zinc/40/28/83/597402883.db2.gz DPSWSLKVVVTIPS-UHFFFAOYSA-N 2 2 325.478 1.688 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000875420030 597420827 /nfs/dbraw/zinc/42/08/27/597420827.db2.gz OEQZPCUCGPQDPM-HZPDHXFCSA-N 2 2 347.463 1.070 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000875420030 597420830 /nfs/dbraw/zinc/42/08/30/597420830.db2.gz OEQZPCUCGPQDPM-HZPDHXFCSA-N 2 2 347.463 1.070 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC1(C)C ZINC000875420101 597421118 /nfs/dbraw/zinc/42/11/18/597421118.db2.gz PVLIUEKJCATYOU-OAHLLOKOSA-N 2 2 331.464 1.786 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC1(C)C ZINC000875420101 597421120 /nfs/dbraw/zinc/42/11/20/597421120.db2.gz PVLIUEKJCATYOU-OAHLLOKOSA-N 2 2 331.464 1.786 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877201932 597460593 /nfs/dbraw/zinc/46/05/93/597460593.db2.gz SZHZTMNFPZPDFX-INQOVCNISA-N 2 2 346.500 1.663 20 0 EDADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000877341578 597495973 /nfs/dbraw/zinc/49/59/73/597495973.db2.gz UUNWECKXYMUMEL-IEBWSBKVSA-N 2 2 343.471 1.461 20 0 EDADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000877341578 597495975 /nfs/dbraw/zinc/49/59/75/597495975.db2.gz UUNWECKXYMUMEL-IEBWSBKVSA-N 2 2 343.471 1.461 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C[C@@H]1C(F)(F)F ZINC000877352901 597499064 /nfs/dbraw/zinc/49/90/64/597499064.db2.gz LYJQBPUHRZCIMY-CABZTGNLSA-N 2 2 344.312 1.612 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc3c(cnn3C)c2)CC1 ZINC000877492782 597524666 /nfs/dbraw/zinc/52/46/66/597524666.db2.gz SNDRVPCDEDPASX-UHFFFAOYSA-N 2 2 338.415 1.694 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000877726116 597551567 /nfs/dbraw/zinc/55/15/67/597551567.db2.gz DYOANYZDHFNGJN-DZOHQFGASA-N 2 2 332.444 1.675 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000877726116 597551568 /nfs/dbraw/zinc/55/15/68/597551568.db2.gz DYOANYZDHFNGJN-DZOHQFGASA-N 2 2 332.444 1.675 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cc3cn4cccc(F)c4n3)CC2)CC1 ZINC000877746844 597552952 /nfs/dbraw/zinc/55/29/52/597552952.db2.gz ZEYSMHPXYUSGDL-UHFFFAOYSA-N 2 2 331.439 1.685 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878302427 597594021 /nfs/dbraw/zinc/59/40/21/597594021.db2.gz MXEUFISJKREYQZ-VHSXEESVSA-N 2 2 341.209 1.694 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)c2cc(Br)no2)C1 ZINC000878302427 597594022 /nfs/dbraw/zinc/59/40/22/597594022.db2.gz MXEUFISJKREYQZ-VHSXEESVSA-N 2 2 341.209 1.694 20 0 EDADLP Cc1ccc(N2CC[NH+](CC(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000878405165 597599886 /nfs/dbraw/zinc/59/98/86/597599886.db2.gz WWGDYUPIXQLQEZ-UHFFFAOYSA-N 2 2 330.476 1.327 20 0 EDADLP c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c2c(c1)COCC2 ZINC000883003415 597613893 /nfs/dbraw/zinc/61/38/93/597613893.db2.gz OTCMMSSNGOPXJU-IBGZPJMESA-N 2 2 345.487 1.255 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883118193 597656806 /nfs/dbraw/zinc/65/68/06/597656806.db2.gz QFSDKJXMWLWJDY-HOTGVXAUSA-N 2 2 347.463 1.022 20 0 EDADLP C[C@H](CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)n1cc[nH+]c1 ZINC000881625893 597662593 /nfs/dbraw/zinc/66/25/93/597662593.db2.gz XDPXNPVQENKGIB-OAHLLOKOSA-N 2 2 347.463 1.167 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883143702 597666080 /nfs/dbraw/zinc/66/60/80/597666080.db2.gz SIDXELLLEWTLAQ-CABCVRRESA-N 2 2 328.420 1.587 20 0 EDADLP CCN1CC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000883358318 597723866 /nfs/dbraw/zinc/72/38/66/597723866.db2.gz HZWILVYOCUXMKU-SFHVURJKSA-N 2 2 333.476 1.581 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@H]2CCC23CCOCC3)C1 ZINC000883371417 597725718 /nfs/dbraw/zinc/72/57/18/597725718.db2.gz JLKLCYPXAXXYNL-MSOLQXFVSA-N 2 2 337.508 1.332 20 0 EDADLP CC(=O)Nc1ccc2c(c1)C[N@H+](CC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000880032400 597816261 /nfs/dbraw/zinc/81/62/61/597816261.db2.gz MVYCHRXEBNQTQO-UHFFFAOYSA-N 2 2 344.459 1.214 20 0 EDADLP CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000880032400 597816264 /nfs/dbraw/zinc/81/62/64/597816264.db2.gz MVYCHRXEBNQTQO-UHFFFAOYSA-N 2 2 344.459 1.214 20 0 EDADLP CN(C(=O)c1cncc2[nH]ccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167873 597838981 /nfs/dbraw/zinc/83/89/81/597838981.db2.gz YNOVVRVTLJYEJI-HNNXBMFYSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1cncc2[nH]ccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167873 597838982 /nfs/dbraw/zinc/83/89/82/597838982.db2.gz YNOVVRVTLJYEJI-HNNXBMFYSA-N 2 2 341.459 1.803 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCc2ccncc2)CC1 ZINC000880253834 597884107 /nfs/dbraw/zinc/88/41/07/597884107.db2.gz FKHKAKPLSVELCU-UHFFFAOYSA-N 2 2 330.476 1.820 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882329913 597936549 /nfs/dbraw/zinc/93/65/49/597936549.db2.gz MACQLBLGPGFSAP-INIZCTEOSA-N 2 2 325.497 1.820 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882329913 597936550 /nfs/dbraw/zinc/93/65/50/597936550.db2.gz MACQLBLGPGFSAP-INIZCTEOSA-N 2 2 325.497 1.820 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475518 597940747 /nfs/dbraw/zinc/94/07/47/597940747.db2.gz VLOVKELBWRJDQC-GOSISDBHSA-N 2 2 341.496 1.822 20 0 EDADLP O=C1CNC(=O)N1CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571611 597967632 /nfs/dbraw/zinc/96/76/32/597967632.db2.gz RERGEXATKAERGT-HNNXBMFYSA-N 2 2 327.388 1.156 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884185379 598018481 /nfs/dbraw/zinc/01/84/81/598018481.db2.gz UTYQBXLISAQDFP-QGZVFWFLSA-N 2 2 345.443 1.483 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000884279672 598053388 /nfs/dbraw/zinc/05/33/88/598053388.db2.gz QSNQUEPBTXOWKU-GJZGRUSLSA-N 2 2 340.431 1.513 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000884435300 598104827 /nfs/dbraw/zinc/10/48/27/598104827.db2.gz SFHYHXRUJWQMJM-UHFFFAOYSA-N 2 2 328.416 1.555 20 0 EDADLP Cc1cc(F)ccc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939856790 699995671 /nfs/dbraw/zinc/99/56/71/699995671.db2.gz PZZSYCYTHHQVBS-WMLDXEAASA-N 2 2 330.407 1.967 20 0 EDADLP Cc1ccc(CC[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cc1 ZINC000939856767 699995863 /nfs/dbraw/zinc/99/58/63/699995863.db2.gz PLUGESUZARCPKL-WMZOPIPTSA-N 2 2 326.444 1.871 20 0 EDADLP C[C@H](C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1)[NH+]1CCCCCC1 ZINC001031049366 695379595 /nfs/dbraw/zinc/37/95/95/695379595.db2.gz BTPDBRKTHLTTOC-NVXWUHKLSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(O)ccc1Cl ZINC000939858591 699997343 /nfs/dbraw/zinc/99/73/43/699997343.db2.gz ZCYOHUOVDLOVAE-MLGOLLRUSA-N 2 2 348.834 1.879 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992840796 695398425 /nfs/dbraw/zinc/39/84/25/695398425.db2.gz XBKIKSOXEILCNM-VNQPRFMTSA-N 2 2 343.431 1.666 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992866712 695413528 /nfs/dbraw/zinc/41/35/28/695413528.db2.gz WXMPDGTXXMLGGW-MELADBBJSA-N 2 2 344.419 1.061 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)o1 ZINC000992856540 695417052 /nfs/dbraw/zinc/41/70/52/695417052.db2.gz IZGKAYVMOYHVLX-RBSFLKMASA-N 2 2 343.431 1.666 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000939855351 699993446 /nfs/dbraw/zinc/99/34/46/699993446.db2.gz DVZPGVNZGWIIDK-CZUORRHYSA-N 2 2 343.431 1.387 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1F ZINC000939855924 699994052 /nfs/dbraw/zinc/99/40/52/699994052.db2.gz IRWKTVPAYLWGMQ-PBHICJAKSA-N 2 2 330.407 1.967 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NC2C[NH+](CCc3ccccc3)C2)cn1 ZINC001031083389 695489200 /nfs/dbraw/zinc/48/92/00/695489200.db2.gz HBFIOPINHMEVMR-UHFFFAOYSA-N 2 2 341.459 1.101 20 0 EDADLP CC1CC[NH+](CC(=O)NC2C[NH+](C[C@H](O)C3CCCCC3)C2)CC1 ZINC001031143564 695577704 /nfs/dbraw/zinc/57/77/04/695577704.db2.gz SGWKGPCBHPKBSR-SFHVURJKSA-N 2 2 337.508 1.460 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)cc[nH+]1 ZINC001060545293 695925583 /nfs/dbraw/zinc/92/55/83/695925583.db2.gz YQNGWNUJWGKCMQ-ARFHVFGLSA-N 2 2 343.475 1.918 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@H+](CCCO)[C@@H]3C)ccn12 ZINC000993354601 696003178 /nfs/dbraw/zinc/00/31/78/696003178.db2.gz SFLDMYBINOZSAI-GDBMZVCRSA-N 2 2 330.432 1.608 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[N@@H+](CCCO)[C@@H]3C)ccn12 ZINC000993354601 696003179 /nfs/dbraw/zinc/00/31/79/696003179.db2.gz SFLDMYBINOZSAI-GDBMZVCRSA-N 2 2 330.432 1.608 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001031260038 696067084 /nfs/dbraw/zinc/06/70/84/696067084.db2.gz JZGHYMLYFGYRSN-OAHLLOKOSA-N 2 2 326.444 1.810 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001031260038 696067088 /nfs/dbraw/zinc/06/70/88/696067088.db2.gz JZGHYMLYFGYRSN-OAHLLOKOSA-N 2 2 326.444 1.810 20 0 EDADLP CCc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[NH+](C)CCO2)c1 ZINC001038136005 700070020 /nfs/dbraw/zinc/07/00/20/700070020.db2.gz KBACBFZXXYECJB-MSOLQXFVSA-N 2 2 331.460 1.270 20 0 EDADLP CCc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[NH+](C)CCO2)c1 ZINC001038136005 700070023 /nfs/dbraw/zinc/07/00/23/700070023.db2.gz KBACBFZXXYECJB-MSOLQXFVSA-N 2 2 331.460 1.270 20 0 EDADLP CCc1cccc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001038136005 700070026 /nfs/dbraw/zinc/07/00/26/700070026.db2.gz KBACBFZXXYECJB-MSOLQXFVSA-N 2 2 331.460 1.270 20 0 EDADLP CCc1cccc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001038136005 700070029 /nfs/dbraw/zinc/07/00/29/700070029.db2.gz KBACBFZXXYECJB-MSOLQXFVSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1Cc1cccnc1 ZINC000994210406 696583030 /nfs/dbraw/zinc/58/30/30/696583030.db2.gz PZQAIEIDNSRQBH-WMLDXEAASA-N 2 2 327.432 1.527 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1Cc1cccnc1 ZINC000994210406 696583032 /nfs/dbraw/zinc/58/30/32/696583032.db2.gz PZQAIEIDNSRQBH-WMLDXEAASA-N 2 2 327.432 1.527 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)nn1C ZINC000994419550 696834988 /nfs/dbraw/zinc/83/49/88/696834988.db2.gz IYIHYOVMYPJKQU-RHSMWYFYSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)nn1C ZINC000994419550 696834992 /nfs/dbraw/zinc/83/49/92/696834992.db2.gz IYIHYOVMYPJKQU-RHSMWYFYSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001031391432 697018812 /nfs/dbraw/zinc/01/88/12/697018812.db2.gz GCVMIRUYMGROFJ-MRXNPFEDSA-N 2 2 338.455 1.797 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001031419024 697072914 /nfs/dbraw/zinc/07/29/14/697072914.db2.gz RMNZKBRLAAIUKD-UKRRQHHQSA-N 2 2 345.434 1.333 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001031419024 697072916 /nfs/dbraw/zinc/07/29/16/697072916.db2.gz RMNZKBRLAAIUKD-UKRRQHHQSA-N 2 2 345.434 1.333 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000917892107 697104020 /nfs/dbraw/zinc/10/40/20/697104020.db2.gz WLAVVJAVIUMISA-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000917892107 697104021 /nfs/dbraw/zinc/10/40/21/697104021.db2.gz WLAVVJAVIUMISA-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3C[C@H]3C(F)(F)F)C2)CC1 ZINC000918904713 697222202 /nfs/dbraw/zinc/22/22/02/697222202.db2.gz BDCYIGHGOHVEMS-OUCADQQQSA-N 2 2 348.413 1.653 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3C[C@H]3C(F)(F)F)C2)CC1 ZINC000918904713 697222204 /nfs/dbraw/zinc/22/22/04/697222204.db2.gz BDCYIGHGOHVEMS-OUCADQQQSA-N 2 2 348.413 1.653 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N[C@H](CC)C[NH+]2CCOCC2)CC1 ZINC000920506309 697440828 /nfs/dbraw/zinc/44/08/28/697440828.db2.gz IRLFQTVVLKDWHV-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001031730206 698066573 /nfs/dbraw/zinc/06/65/73/698066573.db2.gz HBVOTMQOQXRKTB-KRWDZBQOSA-N 2 2 339.443 1.712 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)[NH+](C)C ZINC001060756388 698455396 /nfs/dbraw/zinc/45/53/96/698455396.db2.gz NUYVCXVYIVIXKN-BZUAXINKSA-N 2 2 349.479 1.015 20 0 EDADLP CC(C)[C@H](C(=O)N1CCCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)[NH+](C)C ZINC000943569585 698517855 /nfs/dbraw/zinc/51/78/55/698517855.db2.gz GGYQFWCFGJAFKN-WMLDXEAASA-N 2 2 349.479 1.036 20 0 EDADLP Cc1cncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)c1 ZINC000943767171 698822938 /nfs/dbraw/zinc/82/29/38/698822938.db2.gz RQCUTMCELGKWGJ-GDBMZVCRSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1cncc(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)c1 ZINC000943767171 698822942 /nfs/dbraw/zinc/82/29/42/698822942.db2.gz RQCUTMCELGKWGJ-GDBMZVCRSA-N 2 2 327.432 1.682 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)CC1 ZINC000943877664 698983423 /nfs/dbraw/zinc/98/34/23/698983423.db2.gz OQCQLAZLSUZCOC-WMLDXEAASA-N 2 2 349.479 1.517 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)CC1 ZINC000943877664 698983424 /nfs/dbraw/zinc/98/34/24/698983424.db2.gz OQCQLAZLSUZCOC-WMLDXEAASA-N 2 2 349.479 1.517 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000995153459 701558755 /nfs/dbraw/zinc/55/87/55/701558755.db2.gz PQJSPMGBVJQGLH-JSGCOSHPSA-N 2 2 343.431 1.892 20 0 EDADLP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031776412 699155613 /nfs/dbraw/zinc/15/56/13/699155613.db2.gz UZCCKSANXUDCEB-KRWDZBQOSA-N 2 2 328.460 1.994 20 0 EDADLP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001031778884 699179631 /nfs/dbraw/zinc/17/96/31/699179631.db2.gz CJTSCFGASOMANQ-MRXNPFEDSA-N 2 2 330.476 1.930 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccsc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031779616 699184190 /nfs/dbraw/zinc/18/41/90/699184190.db2.gz WSXJFTLEZKBGMC-HNNXBMFYSA-N 2 2 330.457 1.755 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCCO2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031783673 699210963 /nfs/dbraw/zinc/21/09/63/699210963.db2.gz DSIJURMCGGHOEX-DLBZAZTESA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnsn1 ZINC000939133762 699218674 /nfs/dbraw/zinc/21/86/74/699218674.db2.gz UPGMRSCGROAYQO-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnsn1 ZINC000939133762 699218675 /nfs/dbraw/zinc/21/86/75/699218675.db2.gz UPGMRSCGROAYQO-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939137614 699225102 /nfs/dbraw/zinc/22/51/02/699225102.db2.gz LEFBREBEMWJPTH-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c(C)o1 ZINC000995161638 701584040 /nfs/dbraw/zinc/58/40/40/701584040.db2.gz POLOGMBPNGKQRI-LSDHHAIUSA-N 2 2 345.447 1.642 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000939211703 699360004 /nfs/dbraw/zinc/36/00/04/699360004.db2.gz VFDDXSDQAHNVGH-SKDRFNHKSA-N 2 2 339.852 1.699 20 0 EDADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1[NH2+]CC1CCC1 ZINC000939236303 699404747 /nfs/dbraw/zinc/40/47/47/699404747.db2.gz OQXAGGZYQYDCEK-AEFFLSMTSA-N 2 2 349.519 1.868 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)[C@@H](C)C1 ZINC000939236518 699405414 /nfs/dbraw/zinc/40/54/14/699405414.db2.gz PPIXGOWCRHCXEO-HOCLYGCPSA-N 2 2 344.463 1.377 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000939236519 699405457 /nfs/dbraw/zinc/40/54/57/699405457.db2.gz PPIXGOWCRHCXEO-ZBFHGGJFSA-N 2 2 344.463 1.377 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000939413378 699566515 /nfs/dbraw/zinc/56/65/15/699566515.db2.gz MARGGBYNQVHAPZ-BBRMVZONSA-N 2 2 330.407 1.771 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939533693 699671722 /nfs/dbraw/zinc/67/17/22/699671722.db2.gz DMUPEQTZRIKZSF-DOMZBBRYSA-N 2 2 347.850 1.648 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)o1 ZINC000939549525 699674834 /nfs/dbraw/zinc/67/48/34/699674834.db2.gz AEKLSTYTNHUUEB-DOMZBBRYSA-N 2 2 343.431 1.694 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000939536218 699677051 /nfs/dbraw/zinc/67/70/51/699677051.db2.gz UKLNQMUBCZHTGH-RHSMWYFYSA-N 2 2 334.464 1.216 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)c1 ZINC000939536550 699677699 /nfs/dbraw/zinc/67/76/99/699677699.db2.gz WRRUQHZHZXCZHS-KDOFPFPSSA-N 2 2 342.443 1.608 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)cn1 ZINC000939542306 699683112 /nfs/dbraw/zinc/68/31/12/699683112.db2.gz VZKURLUCWGZKQD-SWLSCSKDSA-N 2 2 342.447 1.422 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)s1 ZINC000939624334 699761927 /nfs/dbraw/zinc/76/19/27/699761927.db2.gz WUAJKWMQYDQCEW-BONVTDFDSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939625199 699762985 /nfs/dbraw/zinc/76/29/85/699762985.db2.gz BIQDPUWEEWRAGO-XHDPSFHLSA-N 2 2 347.488 1.705 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cscn1 ZINC000939641195 699770613 /nfs/dbraw/zinc/77/06/13/699770613.db2.gz CMJJYUVRKQFHAR-DOMZBBRYSA-N 2 2 333.461 1.446 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)o1 ZINC000939643167 699783493 /nfs/dbraw/zinc/78/34/93/699783493.db2.gz PLYKOWSOJJWWPZ-LRDDRELGSA-N 2 2 345.447 1.594 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)o1 ZINC000939755880 699900816 /nfs/dbraw/zinc/90/08/16/699900816.db2.gz RHUWKFPFQZPCNY-ZIAGYGMSSA-N 2 2 335.452 1.225 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000939755160 699906113 /nfs/dbraw/zinc/90/61/13/699906113.db2.gz QAEFZGKACOVYNB-WBMJQRKESA-N 2 2 343.431 1.694 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)n1 ZINC000939746944 699912415 /nfs/dbraw/zinc/91/24/15/699912415.db2.gz JFZUNAHQZMTIPI-JSGCOSHPSA-N 2 2 346.435 1.164 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940177071 700309972 /nfs/dbraw/zinc/30/99/72/700309972.db2.gz VWFIWFZVRONZRN-HNNXBMFYSA-N 2 2 347.459 1.640 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940229005 700394794 /nfs/dbraw/zinc/39/47/94/700394794.db2.gz XECCDWLFQMUGDF-UHFFFAOYSA-N 2 2 341.459 1.919 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940355939 700517742 /nfs/dbraw/zinc/51/77/42/700517742.db2.gz GZZPJTOJUFPCQK-UHFFFAOYSA-N 2 2 345.451 1.043 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2ncc(C)cn2)CC1 ZINC000940441393 700642635 /nfs/dbraw/zinc/64/26/35/700642635.db2.gz GUNMCNRIPCFOBC-UHFFFAOYSA-N 2 2 342.447 1.530 20 0 EDADLP CCc1nc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)no1 ZINC000940461716 700664861 /nfs/dbraw/zinc/66/48/61/700664861.db2.gz JJSDUBRPFTZRNA-UHFFFAOYSA-N 2 2 346.435 1.308 20 0 EDADLP CCn1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nn1 ZINC000940625158 700786915 /nfs/dbraw/zinc/78/69/15/700786915.db2.gz OUZQKSYBNVGFDO-HZPDHXFCSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nn1 ZINC000940625158 700786917 /nfs/dbraw/zinc/78/69/17/700786917.db2.gz OUZQKSYBNVGFDO-HZPDHXFCSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)nn1 ZINC000940625158 700786918 /nfs/dbraw/zinc/78/69/18/700786918.db2.gz OUZQKSYBNVGFDO-HZPDHXFCSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)nn1 ZINC000940625158 700786920 /nfs/dbraw/zinc/78/69/20/700786920.db2.gz OUZQKSYBNVGFDO-HZPDHXFCSA-N 2 2 348.495 1.109 20 0 EDADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940840043 700936497 /nfs/dbraw/zinc/93/64/97/700936497.db2.gz RTENXNDCNDDCJO-NHYWBVRUSA-N 2 2 343.431 1.267 20 0 EDADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940840043 700936498 /nfs/dbraw/zinc/93/64/98/700936498.db2.gz RTENXNDCNDDCJO-NHYWBVRUSA-N 2 2 343.431 1.267 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842812 700939222 /nfs/dbraw/zinc/93/92/22/700939222.db2.gz PUJWCKWYODWYFW-CVEARBPZSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842812 700939223 /nfs/dbraw/zinc/93/92/23/700939223.db2.gz PUJWCKWYODWYFW-CVEARBPZSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842812 700939224 /nfs/dbraw/zinc/93/92/24/700939224.db2.gz PUJWCKWYODWYFW-CVEARBPZSA-N 2 2 347.507 1.621 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842812 700939225 /nfs/dbraw/zinc/93/92/25/700939225.db2.gz PUJWCKWYODWYFW-CVEARBPZSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867630 700948915 /nfs/dbraw/zinc/94/89/15/700948915.db2.gz GVBNJPGMMGCKSD-DOMZBBRYSA-N 2 2 343.431 1.038 20 0 EDADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867630 700948917 /nfs/dbraw/zinc/94/89/17/700948917.db2.gz GVBNJPGMMGCKSD-DOMZBBRYSA-N 2 2 343.431 1.038 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850971 700951905 /nfs/dbraw/zinc/95/19/05/700951905.db2.gz QZOPOHTVBFDNMD-HUUCEWRRSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850971 700951906 /nfs/dbraw/zinc/95/19/06/700951906.db2.gz QZOPOHTVBFDNMD-HUUCEWRRSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC000940892703 700967878 /nfs/dbraw/zinc/96/78/78/700967878.db2.gz IEEOOQIPRSAHSE-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC000940892703 700967880 /nfs/dbraw/zinc/96/78/80/700967880.db2.gz IEEOOQIPRSAHSE-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP COc1ncccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995116024 701046981 /nfs/dbraw/zinc/04/69/81/701046981.db2.gz LMAWTCMXFMADQL-UKRRQHHQSA-N 2 2 343.431 1.431 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C(C)(C)C2)o1 ZINC000941024840 701064136 /nfs/dbraw/zinc/06/41/36/701064136.db2.gz ACLKJFJHAPBJMR-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C(C)(C)C2)o1 ZINC000941024840 701064138 /nfs/dbraw/zinc/06/41/38/701064138.db2.gz ACLKJFJHAPBJMR-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C(C)(C)C2)o1 ZINC000941024840 701064139 /nfs/dbraw/zinc/06/41/39/701064139.db2.gz ACLKJFJHAPBJMR-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C(C)(C)C2)o1 ZINC000941024840 701064140 /nfs/dbraw/zinc/06/41/40/701064140.db2.gz ACLKJFJHAPBJMR-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941033814 701076802 /nfs/dbraw/zinc/07/68/02/701076802.db2.gz VVAJXXWNQRABLW-DZGCQCFKSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941033814 701076808 /nfs/dbraw/zinc/07/68/08/701076808.db2.gz VVAJXXWNQRABLW-DZGCQCFKSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000941033814 701076811 /nfs/dbraw/zinc/07/68/11/701076811.db2.gz VVAJXXWNQRABLW-DZGCQCFKSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000941033814 701076814 /nfs/dbraw/zinc/07/68/14/701076814.db2.gz VVAJXXWNQRABLW-DZGCQCFKSA-N 2 2 335.452 1.271 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3ccc(F)cc3)C2)C1 ZINC001032197231 701690658 /nfs/dbraw/zinc/69/06/58/701690658.db2.gz GTOSVNADFHHUHI-KBXCAEBGSA-N 2 2 349.450 1.655 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3ccc(F)cc3)C2)C1 ZINC001032197231 701690661 /nfs/dbraw/zinc/69/06/61/701690661.db2.gz GTOSVNADFHHUHI-KBXCAEBGSA-N 2 2 349.450 1.655 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806531 701196773 /nfs/dbraw/zinc/19/67/73/701196773.db2.gz DWZGMFBLYSKWQO-GOEBONIOSA-N 2 2 343.431 1.314 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806531 701196774 /nfs/dbraw/zinc/19/67/74/701196774.db2.gz DWZGMFBLYSKWQO-GOEBONIOSA-N 2 2 343.431 1.314 20 0 EDADLP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808950 701200683 /nfs/dbraw/zinc/20/06/83/701200683.db2.gz QFLRNRSQSJBYFP-UKRRQHHQSA-N 2 2 333.461 1.409 20 0 EDADLP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808950 701200685 /nfs/dbraw/zinc/20/06/85/701200685.db2.gz QFLRNRSQSJBYFP-UKRRQHHQSA-N 2 2 333.461 1.409 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945809528 701201666 /nfs/dbraw/zinc/20/16/66/701201666.db2.gz UUXCPIRPPDGCQV-GUYCJALGSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945809528 701201667 /nfs/dbraw/zinc/20/16/67/701201667.db2.gz UUXCPIRPPDGCQV-GUYCJALGSA-N 2 2 345.447 1.769 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)c1 ZINC000945810371 701203252 /nfs/dbraw/zinc/20/32/52/701203252.db2.gz WNTBELFBILPIAQ-RHSMWYFYSA-N 2 2 343.431 1.314 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)c1 ZINC000945810371 701203255 /nfs/dbraw/zinc/20/32/55/701203255.db2.gz WNTBELFBILPIAQ-RHSMWYFYSA-N 2 2 343.431 1.314 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)CC1(C)C ZINC000941165757 701376859 /nfs/dbraw/zinc/37/68/59/701376859.db2.gz CAJOUZLAZTUCTP-QGZVFWFLSA-N 2 2 341.459 1.775 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)CC1(C)C ZINC000941165757 701376860 /nfs/dbraw/zinc/37/68/60/701376860.db2.gz CAJOUZLAZTUCTP-QGZVFWFLSA-N 2 2 341.459 1.775 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)cn1 ZINC001031932201 701383919 /nfs/dbraw/zinc/38/39/19/701383919.db2.gz XKXUVFSDOUUVSZ-UHFFFAOYSA-N 2 2 343.431 1.301 20 0 EDADLP CC[C@H](C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1)OC ZINC000941186834 701391262 /nfs/dbraw/zinc/39/12/62/701391262.db2.gz RTLQQPRZHSVPFH-GDBMZVCRSA-N 2 2 336.480 1.902 20 0 EDADLP CC[C@H](C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1)OC ZINC000941186834 701391263 /nfs/dbraw/zinc/39/12/63/701391263.db2.gz RTLQQPRZHSVPFH-GDBMZVCRSA-N 2 2 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Cn1nccc1CC[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995750426 702000373 /nfs/dbraw/zinc/00/03/73/702000373.db2.gz YXPKKPZUSUHVCB-HNNXBMFYSA-N 2 2 344.463 1.145 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944442218 702022602 /nfs/dbraw/zinc/02/26/02/702022602.db2.gz CSPVVPBNHXTWNQ-IAQYHMDHSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944442218 702022610 /nfs/dbraw/zinc/02/26/10/702022610.db2.gz CSPVVPBNHXTWNQ-IAQYHMDHSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCc2ccnn2C)C[C@H]1C ZINC000944444903 702031475 /nfs/dbraw/zinc/03/14/75/702031475.db2.gz MKUKBHCZXQXIHT-CZUORRHYSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCc2ccnn2C)C[C@H]1C ZINC000944444903 702031482 /nfs/dbraw/zinc/03/14/82/702031482.db2.gz MKUKBHCZXQXIHT-CZUORRHYSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)o1 ZINC000944447070 702038771 /nfs/dbraw/zinc/03/87/71/702038771.db2.gz XENYTQGGTCIURI-IAQYHMDHSA-N 2 2 345.447 1.892 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)o1 ZINC000944447070 702038778 /nfs/dbraw/zinc/03/87/78/702038778.db2.gz XENYTQGGTCIURI-IAQYHMDHSA-N 2 2 345.447 1.892 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)ncn2)C1 ZINC001032205508 702060608 /nfs/dbraw/zinc/06/06/08/702060608.db2.gz ARQVPQKOQNEMLD-KRWDZBQOSA-N 2 2 331.464 1.207 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)ncn2)C1 ZINC001032205508 702060615 /nfs/dbraw/zinc/06/06/15/702060615.db2.gz ARQVPQKOQNEMLD-KRWDZBQOSA-N 2 2 331.464 1.207 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccnc2OC)C1 ZINC001032205748 702098211 /nfs/dbraw/zinc/09/82/11/702098211.db2.gz HQXJFTOQRMYFTO-QGZVFWFLSA-N 2 2 346.475 1.513 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccnc2OC)C1 ZINC001032205748 702098217 /nfs/dbraw/zinc/09/82/17/702098217.db2.gz HQXJFTOQRMYFTO-QGZVFWFLSA-N 2 2 346.475 1.513 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(Cl)ccc3F)C2)C1 ZINC001032183045 702153520 /nfs/dbraw/zinc/15/35/20/702153520.db2.gz YJPHJSIYVAHGSH-CYBMUJFWSA-N 2 2 339.842 1.979 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc(Cl)ccc3F)C2)C1 ZINC001032183045 702153527 /nfs/dbraw/zinc/15/35/27/702153527.db2.gz YJPHJSIYVAHGSH-CYBMUJFWSA-N 2 2 339.842 1.979 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000995900484 702206364 /nfs/dbraw/zinc/20/63/64/702206364.db2.gz JFJVTDYTPPJCBD-HZPDHXFCSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000995900484 702206369 /nfs/dbraw/zinc/20/63/69/702206369.db2.gz JFJVTDYTPPJCBD-HZPDHXFCSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000995901140 702207821 /nfs/dbraw/zinc/20/78/21/702207821.db2.gz KTDDFMSCBRYFNI-INIZCTEOSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000995901140 702207827 /nfs/dbraw/zinc/20/78/27/702207827.db2.gz KTDDFMSCBRYFNI-INIZCTEOSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC000995188881 702224801 /nfs/dbraw/zinc/22/48/01/702224801.db2.gz YHHNYMWNYQEDMX-LSDHHAIUSA-N 2 2 342.447 1.434 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000995189262 702227881 /nfs/dbraw/zinc/22/78/81/702227881.db2.gz ZZFDNVQHAQHHKC-HZPDHXFCSA-N 2 2 334.464 1.562 20 0 EDADLP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097953 702265227 /nfs/dbraw/zinc/26/52/27/702265227.db2.gz LPFPNAHDTKZNKJ-CZUORRHYSA-N 2 2 347.488 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097953 702265231 /nfs/dbraw/zinc/26/52/31/702265231.db2.gz LPFPNAHDTKZNKJ-CZUORRHYSA-N 2 2 347.488 1.488 20 0 EDADLP CCc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)no1 ZINC000995193686 702369926 /nfs/dbraw/zinc/36/99/26/702369926.db2.gz FDAACZLFFVKPQT-ZIAGYGMSSA-N 2 2 346.435 1.212 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996194055 702620598 /nfs/dbraw/zinc/62/05/98/702620598.db2.gz XCXPXHSPBLLXIR-DLBZAZTESA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996194055 702620599 /nfs/dbraw/zinc/62/05/99/702620599.db2.gz XCXPXHSPBLLXIR-DLBZAZTESA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)C1 ZINC000996300395 702691949 /nfs/dbraw/zinc/69/19/49/702691949.db2.gz LKIFKSMHKVUICS-OLZOCXBDSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)C1 ZINC000996300395 702691950 /nfs/dbraw/zinc/69/19/50/702691950.db2.gz LKIFKSMHKVUICS-OLZOCXBDSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)c(C)n1 ZINC000996461152 702789170 /nfs/dbraw/zinc/78/91/70/702789170.db2.gz MIGJZIZCHQJXAQ-MRXNPFEDSA-N 2 2 341.459 1.991 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996454736 702799649 /nfs/dbraw/zinc/79/96/49/702799649.db2.gz APKSIHCBRRFEQX-OAHLLOKOSA-N 2 2 345.447 1.838 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000996458166 702802496 /nfs/dbraw/zinc/80/24/96/702802496.db2.gz RVUXWRFKINFDGF-HOTGVXAUSA-N 2 2 348.491 1.720 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)C(C)(C)C1 ZINC000996561886 702875902 /nfs/dbraw/zinc/87/59/02/702875902.db2.gz JJVZGHPXZLILBD-MRXNPFEDSA-N 2 2 342.447 1.386 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC([NH2+]CCF)CC1 ZINC000996581142 702892720 /nfs/dbraw/zinc/89/27/20/702892720.db2.gz YIXHZHYGHKKHHP-GDBMZVCRSA-N 2 2 334.439 1.704 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)co1 ZINC000996608073 702911569 /nfs/dbraw/zinc/91/15/69/702911569.db2.gz BBXROTRMVRQEQQ-OAHLLOKOSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996611301 702916364 /nfs/dbraw/zinc/91/63/64/702916364.db2.gz LXECJVKFKUDOAK-OAHLLOKOSA-N 2 2 331.420 1.515 20 0 EDADLP CCOC1CC(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000996650698 702940597 /nfs/dbraw/zinc/94/05/97/702940597.db2.gz MKRDOURAJWCQNR-UHFFFAOYSA-N 2 2 334.464 1.738 20 0 EDADLP CCOC1CC(C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000996650698 702940600 /nfs/dbraw/zinc/94/06/00/702940600.db2.gz MKRDOURAJWCQNR-UHFFFAOYSA-N 2 2 334.464 1.738 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996711066 703005845 /nfs/dbraw/zinc/00/58/45/703005845.db2.gz AYBFQAXBMOSCQR-OAHLLOKOSA-N 2 2 343.431 1.314 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC000942518013 703012015 /nfs/dbraw/zinc/01/20/15/703012015.db2.gz KREPVKOMRISOQI-DYVFJYSZSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC000942518013 703012018 /nfs/dbraw/zinc/01/20/18/703012018.db2.gz KREPVKOMRISOQI-DYVFJYSZSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)cs1 ZINC000996718350 703012200 /nfs/dbraw/zinc/01/22/00/703012200.db2.gz XYWGPNKXBUSFRN-HNNXBMFYSA-N 2 2 347.488 1.717 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996731968 703028924 /nfs/dbraw/zinc/02/89/24/703028924.db2.gz NKNBYROMZKYRDR-QAPCUYQASA-N 2 2 346.475 1.595 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996735315 703031892 /nfs/dbraw/zinc/03/18/92/703031892.db2.gz BJTBUTQAZXLDPY-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996736575 703032847 /nfs/dbraw/zinc/03/28/47/703032847.db2.gz GLOPQGBAIUXYKT-CYBMUJFWSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)o1 ZINC000996740822 703035878 /nfs/dbraw/zinc/03/58/78/703035878.db2.gz UPLGDKQTVQYTHZ-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)o1 ZINC000996740820 703036095 /nfs/dbraw/zinc/03/60/95/703036095.db2.gz UPLGDKQTVQYTHZ-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996853445 703132285 /nfs/dbraw/zinc/13/22/85/703132285.db2.gz DFKURUAIMRYRHP-YPMHNXCESA-N 2 2 330.354 1.589 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996855203 703133437 /nfs/dbraw/zinc/13/34/37/703133437.db2.gz FSGLBBHHUFOIRF-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996855203 703133439 /nfs/dbraw/zinc/13/34/39/703133439.db2.gz FSGLBBHHUFOIRF-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000996858390 703142848 /nfs/dbraw/zinc/14/28/48/703142848.db2.gz HRWKEUYUONAZHK-LBPRGKRZSA-N 2 2 332.408 1.306 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032043072 703213729 /nfs/dbraw/zinc/21/37/29/703213729.db2.gz ULWXDGXZBWRYTA-HOCLYGCPSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032043072 703213730 /nfs/dbraw/zinc/21/37/30/703213730.db2.gz ULWXDGXZBWRYTA-HOCLYGCPSA-N 2 2 334.489 1.708 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996991252 703247687 /nfs/dbraw/zinc/24/76/87/703247687.db2.gz QYAMYLNEIIUACK-AWEZNQCLSA-N 2 2 329.404 1.598 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2nc3c(o2)CCCC3)CC1 ZINC000997043274 703290199 /nfs/dbraw/zinc/29/01/99/703290199.db2.gz WSGBWQIAOIIZOP-UHFFFAOYSA-N 2 2 343.431 1.600 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)[nH]1 ZINC000997047111 703296153 /nfs/dbraw/zinc/29/61/53/703296153.db2.gz WMXHKAYBKIPMGJ-OLZOCXBDSA-N 2 2 345.451 1.603 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000997048663 703297325 /nfs/dbraw/zinc/29/73/25/703297325.db2.gz IGFVLGYILJDOHB-ZDUSSCGKSA-N 2 2 331.420 1.911 20 0 EDADLP Cc1conc1C[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000997049555 703298130 /nfs/dbraw/zinc/29/81/30/703298130.db2.gz KLSZNFJAIVQGAS-AWEZNQCLSA-N 2 2 331.420 1.911 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)o1 ZINC000997049975 703298586 /nfs/dbraw/zinc/29/85/86/703298586.db2.gz NLQYIXPTPXTAIB-ZDUSSCGKSA-N 2 2 331.420 1.911 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)no1 ZINC000997057581 703303049 /nfs/dbraw/zinc/30/30/49/703303049.db2.gz KWQKUECHVSSSAQ-UHFFFAOYSA-N 2 2 349.479 1.445 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](C)C2)n1 ZINC000942823176 703331553 /nfs/dbraw/zinc/33/15/53/703331553.db2.gz SJRJNPZSLSWTQC-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](C)C2)n1 ZINC000942823176 703331555 /nfs/dbraw/zinc/33/15/55/703331555.db2.gz SJRJNPZSLSWTQC-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](C)C2)n1 ZINC000942823176 703331558 /nfs/dbraw/zinc/33/15/58/703331558.db2.gz SJRJNPZSLSWTQC-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](C)C2)n1 ZINC000942823176 703331561 /nfs/dbraw/zinc/33/15/61/703331561.db2.gz SJRJNPZSLSWTQC-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H](C)C2)n1 ZINC000942823177 703331757 /nfs/dbraw/zinc/33/17/57/703331757.db2.gz SJRJNPZSLSWTQC-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H](C)C2)n1 ZINC000942823177 703331760 /nfs/dbraw/zinc/33/17/60/703331760.db2.gz SJRJNPZSLSWTQC-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H](C)C2)n1 ZINC000942823177 703331761 /nfs/dbraw/zinc/33/17/61/703331761.db2.gz SJRJNPZSLSWTQC-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@H](C)C2)n1 ZINC000942823177 703331764 /nfs/dbraw/zinc/33/17/64/703331764.db2.gz SJRJNPZSLSWTQC-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]Cc2cnns2)CC1)c1c[nH+]c[nH]1 ZINC000997183708 703469140 /nfs/dbraw/zinc/46/91/40/703469140.db2.gz UMXLYEOMOSUQMF-UHFFFAOYSA-N 2 2 334.449 1.320 20 0 EDADLP COc1nscc1C[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997180255 703470477 /nfs/dbraw/zinc/47/04/77/703470477.db2.gz OBVZLQJYXIBTOJ-UHFFFAOYSA-N 2 2 349.460 1.209 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)s1 ZINC000997223282 703500908 /nfs/dbraw/zinc/50/09/08/703500908.db2.gz ZDMPIVACHBNJGO-NSHDSACASA-N 2 2 348.476 1.762 20 0 EDADLP Cc1ccnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997513962 703762323 /nfs/dbraw/zinc/76/23/23/703762323.db2.gz AMVJUOGVCWKLAO-DOTOQJQBSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997513962 703762325 /nfs/dbraw/zinc/76/23/25/703762325.db2.gz AMVJUOGVCWKLAO-DOTOQJQBSA-N 2 2 345.491 1.596 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995549239 703932058 /nfs/dbraw/zinc/93/20/58/703932058.db2.gz BQFXBGSZZBLESY-KGLIPLIRSA-N 2 2 349.479 1.443 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995549239 703932078 /nfs/dbraw/zinc/93/20/78/703932078.db2.gz BQFXBGSZZBLESY-KGLIPLIRSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1ccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)c(C)n1 ZINC001004257873 704086062 /nfs/dbraw/zinc/08/60/62/704086062.db2.gz MJQZOFIAQYKVPY-UHFFFAOYSA-N 2 2 327.432 1.676 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC001004258589 704086804 /nfs/dbraw/zinc/08/68/04/704086804.db2.gz UNCUPNWIQRBVSS-ZDUSSCGKSA-N 2 2 326.391 1.899 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnnn3CC)C2)CC[N@@H+]1C ZINC001033095758 704183234 /nfs/dbraw/zinc/18/32/34/704183234.db2.gz DTUZYGYTVZYLMN-HYVNUMGLSA-N 2 2 348.495 1.061 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnnn3CC)C2)CC[N@H+]1C ZINC001033095758 704183236 /nfs/dbraw/zinc/18/32/36/704183236.db2.gz DTUZYGYTVZYLMN-HYVNUMGLSA-N 2 2 348.495 1.061 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnnn3CC)C2)CC[NH+]1C ZINC001033095758 704183238 /nfs/dbraw/zinc/18/32/38/704183238.db2.gz DTUZYGYTVZYLMN-HYVNUMGLSA-N 2 2 348.495 1.061 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnnn3CC)C2)CC[NH+]1C ZINC001033095758 704183240 /nfs/dbraw/zinc/18/32/40/704183240.db2.gz DTUZYGYTVZYLMN-HYVNUMGLSA-N 2 2 348.495 1.061 20 0 EDADLP CN(CCCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)CCn1cc[nH+]c1 ZINC001067635750 704289527 /nfs/dbraw/zinc/28/95/27/704289527.db2.gz ANYDWEFEUXBFLK-UHFFFAOYSA-N 2 2 349.479 1.064 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000922854352 704431139 /nfs/dbraw/zinc/43/11/39/704431139.db2.gz WCMWYZMUMLDAGF-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000922854352 704431141 /nfs/dbraw/zinc/43/11/41/704431141.db2.gz WCMWYZMUMLDAGF-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCO1 ZINC001032534778 704566036 /nfs/dbraw/zinc/56/60/36/704566036.db2.gz GEYQWMDOSOKEMY-JYJNAYRXSA-N 2 2 332.448 1.207 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCO1 ZINC001032534778 704566038 /nfs/dbraw/zinc/56/60/38/704566038.db2.gz GEYQWMDOSOKEMY-JYJNAYRXSA-N 2 2 332.448 1.207 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cscn2)C[C@@H]1C ZINC000944946660 704799697 /nfs/dbraw/zinc/79/96/97/704799697.db2.gz YCLKRHJXRIPISD-WFASDCNBSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cscn2)C[C@@H]1C ZINC000944946660 704799698 /nfs/dbraw/zinc/79/96/98/704799698.db2.gz YCLKRHJXRIPISD-WFASDCNBSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944965071 704834986 /nfs/dbraw/zinc/83/49/86/704834986.db2.gz POZNIQGXEYQWDR-WBMJQRKESA-N 2 2 331.420 1.515 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944965071 704834988 /nfs/dbraw/zinc/83/49/88/704834988.db2.gz POZNIQGXEYQWDR-WBMJQRKESA-N 2 2 331.420 1.515 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000997976774 705120810 /nfs/dbraw/zinc/12/08/10/705120810.db2.gz NZWQCJGNHHCUCM-JKSUJKDBSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000997976774 705120813 /nfs/dbraw/zinc/12/08/13/705120813.db2.gz NZWQCJGNHHCUCM-JKSUJKDBSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](CCCF)CC1 ZINC000997976774 705120816 /nfs/dbraw/zinc/12/08/16/705120816.db2.gz NZWQCJGNHHCUCM-JKSUJKDBSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](CCCF)CC1 ZINC000997976774 705120819 /nfs/dbraw/zinc/12/08/19/705120819.db2.gz NZWQCJGNHHCUCM-JKSUJKDBSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998052178 705254820 /nfs/dbraw/zinc/25/48/20/705254820.db2.gz ORUCQVZMQSIKQU-DLBZAZTESA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998052178 705254822 /nfs/dbraw/zinc/25/48/22/705254822.db2.gz ORUCQVZMQSIKQU-DLBZAZTESA-N 2 2 348.491 1.795 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)[nH]1 ZINC000998122507 705374817 /nfs/dbraw/zinc/37/48/17/705374817.db2.gz ZVBNQXLIBGGRNR-GFCCVEGCSA-N 2 2 345.451 1.222 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)oc1C ZINC000998223605 705551011 /nfs/dbraw/zinc/55/10/11/705551011.db2.gz SYQCVZFVSYRDTP-UHFFFAOYSA-N 2 2 345.447 1.596 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2ncccc2C)CC1 ZINC000998246436 705593870 /nfs/dbraw/zinc/59/38/70/705593870.db2.gz ZEABKXMJDOOVFD-UHFFFAOYSA-N 2 2 341.459 1.992 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000998297884 705701465 /nfs/dbraw/zinc/70/14/65/705701465.db2.gz PUUJJFGGAYXWDE-CYBMUJFWSA-N 2 2 346.435 1.418 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032627717 705737913 /nfs/dbraw/zinc/73/79/13/705737913.db2.gz GWILYOKCAHJGIE-BPUTZDHNSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032627717 705737915 /nfs/dbraw/zinc/73/79/15/705737915.db2.gz GWILYOKCAHJGIE-BPUTZDHNSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001032627717 705737916 /nfs/dbraw/zinc/73/79/16/705737916.db2.gz GWILYOKCAHJGIE-BPUTZDHNSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001032627717 705737918 /nfs/dbraw/zinc/73/79/18/705737918.db2.gz GWILYOKCAHJGIE-BPUTZDHNSA-N 2 2 346.475 1.672 20 0 EDADLP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001032628390 705745554 /nfs/dbraw/zinc/74/55/54/705745554.db2.gz YLWKIEQXYDNYNQ-WBAXXEDZSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001032628390 705745555 /nfs/dbraw/zinc/74/55/55/705745555.db2.gz YLWKIEQXYDNYNQ-WBAXXEDZSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032628390 705745556 /nfs/dbraw/zinc/74/55/56/705745556.db2.gz YLWKIEQXYDNYNQ-WBAXXEDZSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032628390 705745557 /nfs/dbraw/zinc/74/55/57/705745557.db2.gz YLWKIEQXYDNYNQ-WBAXXEDZSA-N 2 2 328.460 1.517 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1cccc(F)c1)[NH+](C)C ZINC001032633716 705863098 /nfs/dbraw/zinc/86/30/98/705863098.db2.gz UJDKZTBNLODQOY-BQFCYCMXSA-N 2 2 349.450 1.830 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1cccc(F)c1)[NH+](C)C ZINC001032633716 705863102 /nfs/dbraw/zinc/86/31/02/705863102.db2.gz UJDKZTBNLODQOY-BQFCYCMXSA-N 2 2 349.450 1.830 20 0 EDADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cnn(CCF)c2)c2ccccc2)CC1 ZINC000921667411 705968524 /nfs/dbraw/zinc/96/85/24/705968524.db2.gz OUJPFCKNQXYIKS-LJQANCHMSA-N 2 2 345.466 1.931 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC000998721623 706157141 /nfs/dbraw/zinc/15/71/41/706157141.db2.gz MZZSRINNDJAGHU-KGLIPLIRSA-N 2 2 334.468 1.103 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC000998721623 706157145 /nfs/dbraw/zinc/15/71/45/706157145.db2.gz MZZSRINNDJAGHU-KGLIPLIRSA-N 2 2 334.468 1.103 20 0 EDADLP CN(C(=O)c1sccc1C[NH+](C)C)C1CC([NH2+]Cc2cnon2)C1 ZINC000998844150 706286555 /nfs/dbraw/zinc/28/65/55/706286555.db2.gz RLDWOJZFPVHVOP-UHFFFAOYSA-N 2 2 349.460 1.586 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2nccs2)C1 ZINC000998900854 706337762 /nfs/dbraw/zinc/33/77/62/706337762.db2.gz HZLLLXKEUPKHON-JXQTWKCFSA-N 2 2 345.472 1.996 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000998987963 706419904 /nfs/dbraw/zinc/41/99/04/706419904.db2.gz PWZYPPIIDANQGH-IUDNXUCKSA-N 2 2 333.432 1.248 20 0 EDADLP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)co1 ZINC000999008386 706428203 /nfs/dbraw/zinc/42/82/03/706428203.db2.gz WXWWNTLRRGFGQI-TUBUQKNSSA-N 2 2 343.431 1.521 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1)C(N)=O ZINC000999152216 706581223 /nfs/dbraw/zinc/58/12/23/706581223.db2.gz KDOSMIJBKBTMAR-CABCVRRESA-N 2 2 343.431 1.101 20 0 EDADLP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)cn1 ZINC000999324252 706834790 /nfs/dbraw/zinc/83/47/90/706834790.db2.gz VLVAQTNODOBPTJ-KRWDZBQOSA-N 2 2 344.463 1.382 20 0 EDADLP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)cn1 ZINC000999324252 706834795 /nfs/dbraw/zinc/83/47/95/706834795.db2.gz VLVAQTNODOBPTJ-KRWDZBQOSA-N 2 2 344.463 1.382 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999346330 706858144 /nfs/dbraw/zinc/85/81/44/706858144.db2.gz DRYFEXFWSKITTE-AWEZNQCLSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999537799 707038837 /nfs/dbraw/zinc/03/88/37/707038837.db2.gz UPPZOHVUAAHUPR-ZBFHGGJFSA-N 2 2 343.431 1.523 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cccnc3)C2)no1 ZINC000999560942 707058194 /nfs/dbraw/zinc/05/81/94/707058194.db2.gz MUJQJCXPJUFWAU-HNNXBMFYSA-N 2 2 343.431 1.526 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000999605358 707069960 /nfs/dbraw/zinc/06/99/60/707069960.db2.gz JKDYIPADRKXJCF-UHFFFAOYSA-N 2 2 333.823 1.780 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999606231 707097825 /nfs/dbraw/zinc/09/78/25/707097825.db2.gz RYAVYAHFKWFHRH-GPANFISMSA-N 2 2 334.464 1.472 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999696466 707221745 /nfs/dbraw/zinc/22/17/45/707221745.db2.gz BVBKIDHVLPMLNS-UHFFFAOYSA-N 2 2 330.436 1.200 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000999688478 707242857 /nfs/dbraw/zinc/24/28/57/707242857.db2.gz NBOWJLDNJSREOL-UHFFFAOYSA-N 2 2 347.850 1.790 20 0 EDADLP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999688336 707243035 /nfs/dbraw/zinc/24/30/35/707243035.db2.gz KUZMNPKLHUNNCK-UHFFFAOYSA-N 2 2 331.420 1.347 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC000999722213 707261860 /nfs/dbraw/zinc/26/18/60/707261860.db2.gz ANMUAJROUQGWJZ-JSGCOSHPSA-N 2 2 332.408 1.225 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000999724814 707265704 /nfs/dbraw/zinc/26/57/04/707265704.db2.gz JXLQBGZREOBLPC-OAHLLOKOSA-N 2 2 342.447 1.115 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999711549 707306821 /nfs/dbraw/zinc/30/68/21/707306821.db2.gz FOVZNDIWTPTUEH-CQSZACIVSA-N 2 2 333.461 1.737 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033268325 707309544 /nfs/dbraw/zinc/30/95/44/707309544.db2.gz YZQHCUULILUUBG-OAHLLOKOSA-N 2 2 347.850 1.973 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033268325 707309550 /nfs/dbraw/zinc/30/95/50/707309550.db2.gz YZQHCUULILUUBG-OAHLLOKOSA-N 2 2 347.850 1.973 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786379 707334796 /nfs/dbraw/zinc/33/47/96/707334796.db2.gz JNMKRQMEXWXTOV-NQNKBUKLSA-N 2 2 346.475 1.075 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786379 707334801 /nfs/dbraw/zinc/33/48/01/707334801.db2.gz JNMKRQMEXWXTOV-NQNKBUKLSA-N 2 2 346.475 1.075 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)o1 ZINC000999778227 707339630 /nfs/dbraw/zinc/33/96/30/707339630.db2.gz WDFPADRALWWVHP-OAHLLOKOSA-N 2 2 345.447 1.738 20 0 EDADLP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000999745780 707345360 /nfs/dbraw/zinc/34/53/60/707345360.db2.gz BVIDLZSECIXLGF-UHFFFAOYSA-N 2 2 331.420 1.645 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(C)C)C1 ZINC000999800487 707371379 /nfs/dbraw/zinc/37/13/79/707371379.db2.gz PKDXJIMWMPOCFW-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(C)C)C1 ZINC000999800487 707371386 /nfs/dbraw/zinc/37/13/86/707371386.db2.gz PKDXJIMWMPOCFW-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999839303 707411204 /nfs/dbraw/zinc/41/12/04/707411204.db2.gz ZJCUCUSEHGRNBZ-QZTJIDSGSA-N 2 2 348.491 1.795 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199364 707445523 /nfs/dbraw/zinc/44/55/23/707445523.db2.gz RGVLWFPIXRQALK-NVXWUHKLSA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199364 707445525 /nfs/dbraw/zinc/44/55/25/707445525.db2.gz RGVLWFPIXRQALK-NVXWUHKLSA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033199364 707445528 /nfs/dbraw/zinc/44/55/28/707445528.db2.gz RGVLWFPIXRQALK-NVXWUHKLSA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033199364 707445530 /nfs/dbraw/zinc/44/55/30/707445530.db2.gz RGVLWFPIXRQALK-NVXWUHKLSA-N 2 2 334.464 1.754 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033198748 707463338 /nfs/dbraw/zinc/46/33/38/707463338.db2.gz NEPPRVGQRMJFCK-ZIAGYGMSSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033198748 707463341 /nfs/dbraw/zinc/46/33/41/707463341.db2.gz NEPPRVGQRMJFCK-ZIAGYGMSSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033198748 707463344 /nfs/dbraw/zinc/46/33/44/707463344.db2.gz NEPPRVGQRMJFCK-ZIAGYGMSSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033198748 707463346 /nfs/dbraw/zinc/46/33/46/707463346.db2.gz NEPPRVGQRMJFCK-ZIAGYGMSSA-N 2 2 337.493 1.364 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999875603 707521306 /nfs/dbraw/zinc/52/13/06/707521306.db2.gz GPCVCLJNBLQXOA-CQSZACIVSA-N 2 2 349.479 1.587 20 0 EDADLP COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)cc1F ZINC000999912412 707554562 /nfs/dbraw/zinc/55/45/62/707554562.db2.gz NRGIQAFHOHPDQO-UHFFFAOYSA-N 2 2 346.406 1.810 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033354061 707609604 /nfs/dbraw/zinc/60/96/04/707609604.db2.gz MNNOMMXOUHXPPR-AEFFLSMTSA-N 2 2 347.507 1.575 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033354061 707609606 /nfs/dbraw/zinc/60/96/06/707609606.db2.gz MNNOMMXOUHXPPR-AEFFLSMTSA-N 2 2 347.507 1.575 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccn(C)n3)C2)C1 ZINC001033354061 707609608 /nfs/dbraw/zinc/60/96/08/707609608.db2.gz MNNOMMXOUHXPPR-AEFFLSMTSA-N 2 2 347.507 1.575 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)C1 ZINC001033354061 707609610 /nfs/dbraw/zinc/60/96/10/707609610.db2.gz MNNOMMXOUHXPPR-AEFFLSMTSA-N 2 2 347.507 1.575 20 0 EDADLP C[C@@H]([NH2+]Cc1cnns1)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004918130 707621621 /nfs/dbraw/zinc/62/16/21/707621621.db2.gz ITDYUSSBQBHFBB-HIFRSBDPSA-N 2 2 348.476 1.684 20 0 EDADLP COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)ccn1 ZINC001032731025 707731637 /nfs/dbraw/zinc/73/16/37/707731637.db2.gz XARJMNVTTJISLK-IKGGRYGDSA-N 2 2 344.459 1.217 20 0 EDADLP COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)ccn1 ZINC001032731025 707731642 /nfs/dbraw/zinc/73/16/42/707731642.db2.gz XARJMNVTTJISLK-IKGGRYGDSA-N 2 2 344.459 1.217 20 0 EDADLP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC001032731025 707731648 /nfs/dbraw/zinc/73/16/48/707731648.db2.gz XARJMNVTTJISLK-IKGGRYGDSA-N 2 2 344.459 1.217 20 0 EDADLP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001032731025 707731651 /nfs/dbraw/zinc/73/16/51/707731651.db2.gz XARJMNVTTJISLK-IKGGRYGDSA-N 2 2 344.459 1.217 20 0 EDADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033222046 707760492 /nfs/dbraw/zinc/76/04/92/707760492.db2.gz YZOSXVJPNOYTOC-LLVKDONJSA-N 2 2 348.369 1.835 20 0 EDADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033222046 707760493 /nfs/dbraw/zinc/76/04/93/707760493.db2.gz YZOSXVJPNOYTOC-LLVKDONJSA-N 2 2 348.369 1.835 20 0 EDADLP Cc1nccnc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004962388 707784992 /nfs/dbraw/zinc/78/49/92/707784992.db2.gz BVHDAAFGMVEQPX-GDBMZVCRSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001033414534 707787867 /nfs/dbraw/zinc/78/78/67/707787867.db2.gz CMCWAHUJRCFFAX-LSDHHAIUSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001033414534 707787871 /nfs/dbraw/zinc/78/78/71/707787871.db2.gz CMCWAHUJRCFFAX-LSDHHAIUSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001033414534 707787877 /nfs/dbraw/zinc/78/78/77/707787877.db2.gz CMCWAHUJRCFFAX-LSDHHAIUSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001033414534 707787882 /nfs/dbraw/zinc/78/78/82/707787882.db2.gz CMCWAHUJRCFFAX-LSDHHAIUSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001033425849 707845783 /nfs/dbraw/zinc/84/57/83/707845783.db2.gz KXTUIENMEPKXJX-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001033425849 707845786 /nfs/dbraw/zinc/84/57/86/707845786.db2.gz KXTUIENMEPKXJX-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC001033425849 707845787 /nfs/dbraw/zinc/84/57/87/707845787.db2.gz KXTUIENMEPKXJX-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)cn1 ZINC001033425849 707845789 /nfs/dbraw/zinc/84/57/89/707845789.db2.gz KXTUIENMEPKXJX-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032759585 707869557 /nfs/dbraw/zinc/86/95/57/707869557.db2.gz UCSFUVGYEPEMTB-HOTGVXAUSA-N 2 2 332.448 1.207 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032759585 707869558 /nfs/dbraw/zinc/86/95/58/707869558.db2.gz UCSFUVGYEPEMTB-HOTGVXAUSA-N 2 2 332.448 1.207 20 0 EDADLP Cc1ncoc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005009464 707925972 /nfs/dbraw/zinc/92/59/72/707925972.db2.gz NHCZFRHRTPGMMI-UKRRQHHQSA-N 2 2 331.420 1.739 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2nonc2c1 ZINC001032783737 707980345 /nfs/dbraw/zinc/98/03/45/707980345.db2.gz PEIRGVJSNCDSIC-GJZGRUSLSA-N 2 2 341.415 1.104 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2nonc2c1 ZINC001032783737 707980349 /nfs/dbraw/zinc/98/03/49/707980349.db2.gz PEIRGVJSNCDSIC-GJZGRUSLSA-N 2 2 341.415 1.104 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001001420117 708146015 /nfs/dbraw/zinc/14/60/15/708146015.db2.gz FUQUMZZCRNTFNK-XJKCOSOUSA-N 2 2 348.495 1.343 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001001420117 708146017 /nfs/dbraw/zinc/14/60/17/708146017.db2.gz FUQUMZZCRNTFNK-XJKCOSOUSA-N 2 2 348.495 1.343 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCc1ccsc1 ZINC001032814792 708147152 /nfs/dbraw/zinc/14/71/52/708147152.db2.gz JGZURKAZXCJXJU-HOTGVXAUSA-N 2 2 330.457 1.863 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCc1ccsc1 ZINC001032814792 708147154 /nfs/dbraw/zinc/14/71/54/708147154.db2.gz JGZURKAZXCJXJU-HOTGVXAUSA-N 2 2 330.457 1.863 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033581066 708262365 /nfs/dbraw/zinc/26/23/65/708262365.db2.gz IIUOWCQVHCGZST-HUUCEWRRSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033581066 708262367 /nfs/dbraw/zinc/26/23/67/708262367.db2.gz IIUOWCQVHCGZST-HUUCEWRRSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033581066 708262369 /nfs/dbraw/zinc/26/23/69/708262369.db2.gz IIUOWCQVHCGZST-HUUCEWRRSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033581066 708262370 /nfs/dbraw/zinc/26/23/70/708262370.db2.gz IIUOWCQVHCGZST-HUUCEWRRSA-N 2 2 336.505 1.826 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033590432 708286749 /nfs/dbraw/zinc/28/67/49/708286749.db2.gz QGTYVICIFQLXHW-OAHLLOKOSA-N 2 2 334.464 1.647 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033590432 708286751 /nfs/dbraw/zinc/28/67/51/708286751.db2.gz QGTYVICIFQLXHW-OAHLLOKOSA-N 2 2 334.464 1.647 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033591493 708289083 /nfs/dbraw/zinc/28/90/83/708289083.db2.gz UYUCBODCVRKUQN-AWEZNQCLSA-N 2 2 330.436 1.117 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033591493 708289086 /nfs/dbraw/zinc/28/90/86/708289086.db2.gz UYUCBODCVRKUQN-AWEZNQCLSA-N 2 2 330.436 1.117 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001033621128 708354167 /nfs/dbraw/zinc/35/41/67/708354167.db2.gz UDLLDQCAAHIQRH-INIZCTEOSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001033621128 708354168 /nfs/dbraw/zinc/35/41/68/708354168.db2.gz UDLLDQCAAHIQRH-INIZCTEOSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)sc1C ZINC001033659889 708472145 /nfs/dbraw/zinc/47/21/45/708472145.db2.gz ZNZKWEBVVRONBX-OAHLLOKOSA-N 2 2 336.505 1.888 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)sc1C ZINC001033659889 708472146 /nfs/dbraw/zinc/47/21/46/708472146.db2.gz ZNZKWEBVVRONBX-OAHLLOKOSA-N 2 2 336.505 1.888 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001033680622 708491463 /nfs/dbraw/zinc/49/14/63/708491463.db2.gz PTXJYYOGIAIJQP-MSOLQXFVSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001033680622 708491464 /nfs/dbraw/zinc/49/14/64/708491464.db2.gz PTXJYYOGIAIJQP-MSOLQXFVSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001033680622 708491466 /nfs/dbraw/zinc/49/14/66/708491466.db2.gz PTXJYYOGIAIJQP-MSOLQXFVSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001033680622 708491468 /nfs/dbraw/zinc/49/14/68/708491468.db2.gz PTXJYYOGIAIJQP-MSOLQXFVSA-N 2 2 349.450 1.579 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cs1 ZINC001033703551 708532127 /nfs/dbraw/zinc/53/21/27/708532127.db2.gz GOJCIVQZKMUHAH-HNNXBMFYSA-N 2 2 333.461 1.423 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cs1 ZINC001033703551 708532129 /nfs/dbraw/zinc/53/21/29/708532129.db2.gz GOJCIVQZKMUHAH-HNNXBMFYSA-N 2 2 333.461 1.423 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033774907 708674192 /nfs/dbraw/zinc/67/41/92/708674192.db2.gz KTGLKTFJQKKHRP-KBPBESRZSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033774907 708674193 /nfs/dbraw/zinc/67/41/93/708674193.db2.gz KTGLKTFJQKKHRP-KBPBESRZSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2snnc2C)C1 ZINC001033774907 708674194 /nfs/dbraw/zinc/67/41/94/708674194.db2.gz KTGLKTFJQKKHRP-KBPBESRZSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2snnc2C)C1 ZINC001033774907 708674195 /nfs/dbraw/zinc/67/41/95/708674195.db2.gz KTGLKTFJQKKHRP-KBPBESRZSA-N 2 2 337.493 1.364 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001033786888 708696152 /nfs/dbraw/zinc/69/61/52/708696152.db2.gz AWMKITAUXCEOIR-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033786888 708696156 /nfs/dbraw/zinc/69/61/56/708696156.db2.gz AWMKITAUXCEOIR-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033786888 708696159 /nfs/dbraw/zinc/69/61/59/708696159.db2.gz AWMKITAUXCEOIR-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033786888 708696162 /nfs/dbraw/zinc/69/61/62/708696162.db2.gz AWMKITAUXCEOIR-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C)nc3C)C2)C1 ZINC001016303690 708906984 /nfs/dbraw/zinc/90/69/84/708906984.db2.gz BRRABDXGDWHUCH-ROUUACIJSA-N 2 2 346.475 1.110 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C)nc3C)C2)C1 ZINC001016303690 708906988 /nfs/dbraw/zinc/90/69/88/708906988.db2.gz BRRABDXGDWHUCH-ROUUACIJSA-N 2 2 346.475 1.110 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)nc3C)C2)C1 ZINC001016303690 708906990 /nfs/dbraw/zinc/90/69/90/708906990.db2.gz BRRABDXGDWHUCH-ROUUACIJSA-N 2 2 346.475 1.110 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)nc3C)C2)C1 ZINC001016303690 708906993 /nfs/dbraw/zinc/90/69/93/708906993.db2.gz BRRABDXGDWHUCH-ROUUACIJSA-N 2 2 346.475 1.110 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001002461919 708987083 /nfs/dbraw/zinc/98/70/83/708987083.db2.gz RXTGATZWQJJRHV-JSGCOSHPSA-N 2 2 335.452 1.368 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001002461919 708987086 /nfs/dbraw/zinc/98/70/86/708987086.db2.gz RXTGATZWQJJRHV-JSGCOSHPSA-N 2 2 335.452 1.368 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001034041378 709290128 /nfs/dbraw/zinc/29/01/28/709290128.db2.gz COBRPBKEUJYUTM-HZPDHXFCSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001034041378 709290131 /nfs/dbraw/zinc/29/01/31/709290131.db2.gz COBRPBKEUJYUTM-HZPDHXFCSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001034041378 709290135 /nfs/dbraw/zinc/29/01/35/709290135.db2.gz COBRPBKEUJYUTM-HZPDHXFCSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001034041378 709290136 /nfs/dbraw/zinc/29/01/36/709290136.db2.gz COBRPBKEUJYUTM-HZPDHXFCSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001034047274 709300185 /nfs/dbraw/zinc/30/01/85/709300185.db2.gz FGTMRLYQFJLEOO-MSOLQXFVSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001034047274 709300187 /nfs/dbraw/zinc/30/01/87/709300187.db2.gz FGTMRLYQFJLEOO-MSOLQXFVSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001034047274 709300189 /nfs/dbraw/zinc/30/01/89/709300189.db2.gz FGTMRLYQFJLEOO-MSOLQXFVSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001034047274 709300192 /nfs/dbraw/zinc/30/01/92/709300192.db2.gz FGTMRLYQFJLEOO-MSOLQXFVSA-N 2 2 346.475 1.225 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034133510 709403715 /nfs/dbraw/zinc/40/37/15/709403715.db2.gz ZSNIDJCFOOMANW-NVXWUHKLSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034133510 709403717 /nfs/dbraw/zinc/40/37/17/709403717.db2.gz ZSNIDJCFOOMANW-NVXWUHKLSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001034133510 709403719 /nfs/dbraw/zinc/40/37/19/709403719.db2.gz ZSNIDJCFOOMANW-NVXWUHKLSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001034133510 709403720 /nfs/dbraw/zinc/40/37/20/709403720.db2.gz ZSNIDJCFOOMANW-NVXWUHKLSA-N 2 2 333.480 1.468 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@@H+]1C ZINC001034215679 709569790 /nfs/dbraw/zinc/56/97/90/709569790.db2.gz BZZSULUHHXTEHX-YESZJQIVSA-N 2 2 345.491 1.678 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@H+]1C ZINC001034215679 709569792 /nfs/dbraw/zinc/56/97/92/709569792.db2.gz BZZSULUHHXTEHX-YESZJQIVSA-N 2 2 345.491 1.678 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034215679 709569795 /nfs/dbraw/zinc/56/97/95/709569795.db2.gz BZZSULUHHXTEHX-YESZJQIVSA-N 2 2 345.491 1.678 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034215679 709569798 /nfs/dbraw/zinc/56/97/98/709569798.db2.gz BZZSULUHHXTEHX-YESZJQIVSA-N 2 2 345.491 1.678 20 0 EDADLP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034270942 709676584 /nfs/dbraw/zinc/67/65/84/709676584.db2.gz KBXGVDAWUYGCPB-SJORKVTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034270942 709676585 /nfs/dbraw/zinc/67/65/85/709676585.db2.gz KBXGVDAWUYGCPB-SJORKVTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034270942 709676586 /nfs/dbraw/zinc/67/65/86/709676586.db2.gz KBXGVDAWUYGCPB-SJORKVTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034270942 709676587 /nfs/dbraw/zinc/67/65/87/709676587.db2.gz KBXGVDAWUYGCPB-SJORKVTESA-N 2 2 334.464 1.938 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](CCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001034304241 709727908 /nfs/dbraw/zinc/72/79/08/709727908.db2.gz QDGKBORXXSONFC-AWEZNQCLSA-N 2 2 331.395 1.821 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](CCF)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001034304241 709727912 /nfs/dbraw/zinc/72/79/12/709727912.db2.gz QDGKBORXXSONFC-AWEZNQCLSA-N 2 2 331.395 1.821 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)o1 ZINC001003147530 710046449 /nfs/dbraw/zinc/04/64/49/710046449.db2.gz WNHCUIYRSLPVMM-JKSUJKDBSA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)o1 ZINC001003147530 710046457 /nfs/dbraw/zinc/04/64/57/710046457.db2.gz WNHCUIYRSLPVMM-JKSUJKDBSA-N 2 2 347.463 1.476 20 0 EDADLP CCn1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001034487061 710134508 /nfs/dbraw/zinc/13/45/08/710134508.db2.gz DNPJQBOMQONMPO-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)nn1 ZINC001034487061 710134510 /nfs/dbraw/zinc/13/45/10/710134510.db2.gz DNPJQBOMQONMPO-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1cc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001034487061 710134511 /nfs/dbraw/zinc/13/45/11/710134511.db2.gz DNPJQBOMQONMPO-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1cc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001034487061 710134513 /nfs/dbraw/zinc/13/45/13/710134513.db2.gz DNPJQBOMQONMPO-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP COc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527434 710181019 /nfs/dbraw/zinc/18/10/19/710181019.db2.gz DPYAFYLXZWMUCG-QGZVFWFLSA-N 2 2 346.475 1.657 20 0 EDADLP COc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527434 710181021 /nfs/dbraw/zinc/18/10/21/710181021.db2.gz DPYAFYLXZWMUCG-QGZVFWFLSA-N 2 2 346.475 1.657 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530626 710187820 /nfs/dbraw/zinc/18/78/20/710187820.db2.gz YXTZMAPAFFAMER-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530626 710187821 /nfs/dbraw/zinc/18/78/21/710187821.db2.gz YXTZMAPAFFAMER-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547628 710222554 /nfs/dbraw/zinc/22/25/54/710222554.db2.gz WLXPBALSSAJTGL-GJZGRUSLSA-N 2 2 328.420 1.405 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547628 710222556 /nfs/dbraw/zinc/22/25/56/710222556.db2.gz WLXPBALSSAJTGL-GJZGRUSLSA-N 2 2 328.420 1.405 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001003378857 710298077 /nfs/dbraw/zinc/29/80/77/710298077.db2.gz XOQCSGUZEVUUNO-KRWDZBQOSA-N 2 2 341.471 1.428 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001003378857 710298078 /nfs/dbraw/zinc/29/80/78/710298078.db2.gz XOQCSGUZEVUUNO-KRWDZBQOSA-N 2 2 341.471 1.428 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001003493022 710375524 /nfs/dbraw/zinc/37/55/24/710375524.db2.gz KANGFJRSRJIOLK-KRWDZBQOSA-N 2 2 341.471 1.570 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001003493022 710375525 /nfs/dbraw/zinc/37/55/25/710375525.db2.gz KANGFJRSRJIOLK-KRWDZBQOSA-N 2 2 341.471 1.570 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003635419 710462837 /nfs/dbraw/zinc/46/28/37/710462837.db2.gz PRXFRFOHNLXDCV-YJBOKZPZSA-N 2 2 347.507 1.742 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003635419 710462838 /nfs/dbraw/zinc/46/28/38/710462838.db2.gz PRXFRFOHNLXDCV-YJBOKZPZSA-N 2 2 347.507 1.742 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cnnn2C)CC1 ZINC001003737400 710518660 /nfs/dbraw/zinc/51/86/60/710518660.db2.gz LYVJVGPBXZUROD-KRWDZBQOSA-N 2 2 348.495 1.159 20 0 EDADLP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001034700914 710804702 /nfs/dbraw/zinc/80/47/02/710804702.db2.gz LNVXWFUNBWAJFT-KZNAEPCWSA-N 2 2 337.508 1.914 20 0 EDADLP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001034700914 710804706 /nfs/dbraw/zinc/80/47/06/710804706.db2.gz LNVXWFUNBWAJFT-KZNAEPCWSA-N 2 2 337.508 1.914 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032946739 710929356 /nfs/dbraw/zinc/92/93/56/710929356.db2.gz YLVRZRQKEQZIPU-NVXWUHKLSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032946739 710929359 /nfs/dbraw/zinc/92/93/59/710929359.db2.gz YLVRZRQKEQZIPU-NVXWUHKLSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001032946739 710929362 /nfs/dbraw/zinc/92/93/62/710929362.db2.gz YLVRZRQKEQZIPU-NVXWUHKLSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001032946739 710929366 /nfs/dbraw/zinc/92/93/66/710929366.db2.gz YLVRZRQKEQZIPU-NVXWUHKLSA-N 2 2 332.448 1.217 20 0 EDADLP Cc1ncsc1CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744298 710936624 /nfs/dbraw/zinc/93/66/24/710936624.db2.gz PBKUXQKGFACJJI-HDJSIYSDSA-N 2 2 347.488 1.977 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1 ZINC001034737298 710949149 /nfs/dbraw/zinc/94/91/49/710949149.db2.gz VHAWDTYFXMDUGP-WRQOLXDDSA-N 2 2 346.475 1.577 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)s1 ZINC001034762549 710999845 /nfs/dbraw/zinc/99/98/45/710999845.db2.gz CMGWOSMQKBSLDG-JOCQHMNTSA-N 2 2 333.461 1.934 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC001034764959 711041125 /nfs/dbraw/zinc/04/11/25/711041125.db2.gz ZNUPGPRZWXNJMG-ADAWSYLGSA-N 2 2 332.448 1.396 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001032974711 711059257 /nfs/dbraw/zinc/05/92/57/711059257.db2.gz CBZYZWGMSVAMRO-NVXWUHKLSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001032974711 711059260 /nfs/dbraw/zinc/05/92/60/711059260.db2.gz CBZYZWGMSVAMRO-NVXWUHKLSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001032974711 711059261 /nfs/dbraw/zinc/05/92/61/711059261.db2.gz CBZYZWGMSVAMRO-NVXWUHKLSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001032974711 711059264 /nfs/dbraw/zinc/05/92/64/711059264.db2.gz CBZYZWGMSVAMRO-NVXWUHKLSA-N 2 2 335.423 1.189 20 0 EDADLP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001034786964 711091907 /nfs/dbraw/zinc/09/19/07/711091907.db2.gz URZDMSAFLGDQAS-HDJSIYSDSA-N 2 2 345.451 1.089 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC001003972007 711124720 /nfs/dbraw/zinc/12/47/20/711124720.db2.gz TVVDOHFFXKYVIA-GOSISDBHSA-N 2 2 348.491 1.484 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)c1csnn1 ZINC001034802316 711134884 /nfs/dbraw/zinc/13/48/84/711134884.db2.gz XBPIWXSPCOXWIU-AVGNSLFASA-N 2 2 334.449 1.513 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC001034801987 711143607 /nfs/dbraw/zinc/14/36/07/711143607.db2.gz SJMWLLDCKDKZLK-BZSNNMDCSA-N 2 2 348.491 1.841 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003968710 711144410 /nfs/dbraw/zinc/14/44/10/711144410.db2.gz SZSZFLIQVVUICK-OAHLLOKOSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003968710 711144412 /nfs/dbraw/zinc/14/44/12/711144412.db2.gz SZSZFLIQVVUICK-OAHLLOKOSA-N 2 2 333.480 1.325 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001034825115 711227405 /nfs/dbraw/zinc/22/74/05/711227405.db2.gz XAZRADDWBPLDOC-KSSFIOAISA-N 2 2 342.443 1.778 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001034825115 711227408 /nfs/dbraw/zinc/22/74/08/711227408.db2.gz XAZRADDWBPLDOC-KSSFIOAISA-N 2 2 342.443 1.778 20 0 EDADLP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncccn1)[NH+]1CCCCC1 ZINC001034937611 711438703 /nfs/dbraw/zinc/43/87/03/711438703.db2.gz ZLXAXRAADZRYSN-MRXNPFEDSA-N 2 2 345.491 1.822 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)C)[nH]1)[NH+](C)C ZINC001034971793 711451466 /nfs/dbraw/zinc/45/14/66/711451466.db2.gz VDRHXGQTWBZVPC-ZIAGYGMSSA-N 2 2 336.484 1.349 20 0 EDADLP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCc3c[nH+]cn3C)C2)[C@@H]1C(C)C ZINC000922514270 711644200 /nfs/dbraw/zinc/64/42/00/711644200.db2.gz ABTVIBHZNYFLMQ-CBZIJGRNSA-N 2 2 349.479 1.089 20 0 EDADLP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCc3c[nH+]cn3C)C2)[C@@H]1C(C)C ZINC000922514270 711644203 /nfs/dbraw/zinc/64/42/03/711644203.db2.gz ABTVIBHZNYFLMQ-CBZIJGRNSA-N 2 2 349.479 1.089 20 0 EDADLP C[C@H](CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)n1cc[nH+]c1 ZINC001004566449 711985189 /nfs/dbraw/zinc/98/51/89/711985189.db2.gz CLSAZKLNQCJTFM-AEFFLSMTSA-N 2 2 348.491 1.920 20 0 EDADLP C[C@H](CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)n1cc[nH+]c1 ZINC001004566449 711985192 /nfs/dbraw/zinc/98/51/92/711985192.db2.gz CLSAZKLNQCJTFM-AEFFLSMTSA-N 2 2 348.491 1.920 20 0 EDADLP CC(C)(C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)c1c[nH+]c[nH]1 ZINC001004596570 712037522 /nfs/dbraw/zinc/03/75/22/712037522.db2.gz NGZPORRUGAGZHZ-INIZCTEOSA-N 2 2 348.491 1.773 20 0 EDADLP CC(C)(C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)c1c[nH+]c[nH]1 ZINC001004596570 712037524 /nfs/dbraw/zinc/03/75/24/712037524.db2.gz NGZPORRUGAGZHZ-INIZCTEOSA-N 2 2 348.491 1.773 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)N1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000557577572 306229827 /nfs/dbraw/zinc/22/98/27/306229827.db2.gz XYUVUDCHBWXZEU-GFCCVEGCSA-N 2 2 330.354 1.763 20 0 EDADLP CN(CC[NH+](C)C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000356041054 282090152 /nfs/dbraw/zinc/09/01/52/282090152.db2.gz PFHBHEXJQBYIGL-HNNXBMFYSA-N 2 2 333.411 1.852 20 0 EDADLP COCCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761466 214103112 /nfs/dbraw/zinc/10/31/12/214103112.db2.gz MFZHEKZUNQQNIG-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1noc(C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000053640211 214190965 /nfs/dbraw/zinc/19/09/65/214190965.db2.gz CFNVSQWJHXOLBJ-UHFFFAOYSA-N 2 2 347.463 1.300 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153140752 529405600 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O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333883365 539656608 /nfs/dbraw/zinc/65/66/08/539656608.db2.gz FCWYLTZMTRYVHZ-UHFFFAOYSA-N 2 2 343.475 1.967 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)[N@H+](C)C1 ZINC000344170323 539805339 /nfs/dbraw/zinc/80/53/39/539805339.db2.gz DLLRFBWAPRIJLM-ROUUACIJSA-N 2 2 346.475 1.092 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)[N@@H+](C)C1 ZINC000344170323 539805344 /nfs/dbraw/zinc/80/53/44/539805344.db2.gz DLLRFBWAPRIJLM-ROUUACIJSA-N 2 2 346.475 1.092 20 0 EDADLP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000562370487 306296658 /nfs/dbraw/zinc/29/66/58/306296658.db2.gz PPXNSZSODOMAQF-CQSZACIVSA-N 2 2 343.431 1.958 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000562370471 306296728 /nfs/dbraw/zinc/29/67/28/306296728.db2.gz LWOPSWCWYLYBGP-HUUCEWRRSA-N 2 2 327.432 1.798 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000562441643 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1.775 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000562658585 306305171 /nfs/dbraw/zinc/30/51/71/306305171.db2.gz WLIJNMOVJCYMJG-GOSISDBHSA-N 2 2 331.464 1.775 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000352128457 539920556 /nfs/dbraw/zinc/92/05/56/539920556.db2.gz DZFAKAUVQHSNDJ-UHFFFAOYSA-N 2 2 328.416 1.491 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000352128457 539920561 /nfs/dbraw/zinc/92/05/61/539920561.db2.gz DZFAKAUVQHSNDJ-UHFFFAOYSA-N 2 2 328.416 1.491 20 0 EDADLP Cn1c[nH+]cc1C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000290477657 540089626 /nfs/dbraw/zinc/08/96/26/540089626.db2.gz BBPFDPYEDKHZNC-CYBMUJFWSA-N 2 2 326.322 1.625 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000290650098 540090073 /nfs/dbraw/zinc/09/00/73/540090073.db2.gz IRCJBLOZZUVOFB-UHFFFAOYSA-N 2 2 327.432 1.668 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cc(C)no3)CC2)CC1 ZINC000563276199 306325907 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ZINC000123061926 138318799 /nfs/dbraw/zinc/31/87/99/138318799.db2.gz RUXIAPHOIVDJJR-STQMWFEESA-N 2 2 338.477 1.488 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC(=O)NCc2cccs2)CC[NH+]1C ZINC000123061926 138318800 /nfs/dbraw/zinc/31/88/00/138318800.db2.gz RUXIAPHOIVDJJR-STQMWFEESA-N 2 2 338.477 1.488 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000123616020 138319822 /nfs/dbraw/zinc/31/98/22/138319822.db2.gz AYUDSXPYTUEMGA-OAHLLOKOSA-N 2 2 327.432 1.386 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000123616020 138319823 /nfs/dbraw/zinc/31/98/23/138319823.db2.gz AYUDSXPYTUEMGA-OAHLLOKOSA-N 2 2 327.432 1.386 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000360120517 283233794 /nfs/dbraw/zinc/23/37/94/283233794.db2.gz WTDXGNRFLBBTOY-SJORKVTESA-N 2 2 342.528 1.859 20 0 EDADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036753858 213117680 /nfs/dbraw/zinc/11/76/80/213117680.db2.gz YFFMQCWSSGIYAQ-UHFFFAOYSA-N 2 2 340.265 1.831 20 0 EDADLP C[N@H+](CCCCNC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC000413614340 304069319 /nfs/dbraw/zinc/06/93/19/304069319.db2.gz ZONGJRHTAKJLKD-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+](CCCCNC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC000413614340 304069320 /nfs/dbraw/zinc/06/93/20/304069320.db2.gz ZONGJRHTAKJLKD-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000563934085 306352645 /nfs/dbraw/zinc/35/26/45/306352645.db2.gz LSVVNFXOAUJFSK-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000563934085 306352646 /nfs/dbraw/zinc/35/26/46/306352646.db2.gz LSVVNFXOAUJFSK-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369665720 155131801 /nfs/dbraw/zinc/13/18/01/155131801.db2.gz PRHYQSHNUHMAKB-GOEBONIOSA-N 2 2 344.463 1.928 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000564096776 306355838 /nfs/dbraw/zinc/35/58/38/306355838.db2.gz QDEDQLIFKHWEPF-QGZVFWFLSA-N 2 2 335.448 1.355 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000564096776 306355839 /nfs/dbraw/zinc/35/58/39/306355839.db2.gz QDEDQLIFKHWEPF-QGZVFWFLSA-N 2 2 335.448 1.355 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413844126 304080409 /nfs/dbraw/zinc/08/04/09/304080409.db2.gz LFSNDQUWGPCYHE-BBWFWOEESA-N 2 2 338.540 1.780 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413844126 304080410 /nfs/dbraw/zinc/08/04/10/304080410.db2.gz LFSNDQUWGPCYHE-BBWFWOEESA-N 2 2 338.540 1.780 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959643 306371349 /nfs/dbraw/zinc/37/13/49/306371349.db2.gz GORPDHCVFKWKHQ-AZUAARDMSA-N 3 2 329.488 1.840 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959643 306371350 /nfs/dbraw/zinc/37/13/50/306371350.db2.gz GORPDHCVFKWKHQ-AZUAARDMSA-N 3 2 329.488 1.840 20 0 EDADLP C[NH+]1CC[C@@](O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959643 306371351 /nfs/dbraw/zinc/37/13/51/306371351.db2.gz GORPDHCVFKWKHQ-AZUAARDMSA-N 3 2 329.488 1.840 20 0 EDADLP C[NH+]1CC[C@@](O)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959643 306371352 /nfs/dbraw/zinc/37/13/52/306371352.db2.gz GORPDHCVFKWKHQ-AZUAARDMSA-N 3 2 329.488 1.840 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cnns3)CC2)C[C@H](C)O1 ZINC000565462220 306384292 /nfs/dbraw/zinc/38/42/92/306384292.db2.gz AWEGWZCQVRGRND-OKILXGFUSA-N 2 2 340.493 1.628 20 0 EDADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cnns3)CC2)C[C@H](C)O1 ZINC000565462220 306384293 /nfs/dbraw/zinc/38/42/93/306384293.db2.gz AWEGWZCQVRGRND-OKILXGFUSA-N 2 2 340.493 1.628 20 0 EDADLP COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000266944658 291272939 /nfs/dbraw/zinc/27/29/39/291272939.db2.gz SAEBIJGIROFLCI-QGZVFWFLSA-N 2 2 337.439 1.609 20 0 EDADLP COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000266944658 291272940 /nfs/dbraw/zinc/27/29/40/291272940.db2.gz SAEBIJGIROFLCI-QGZVFWFLSA-N 2 2 337.439 1.609 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nn1 ZINC000414356213 304111167 /nfs/dbraw/zinc/11/11/67/304111167.db2.gz DGTUJZDWJHTTKE-PKOBYXMFSA-N 2 2 326.444 1.758 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nn1 ZINC000414356213 304111168 /nfs/dbraw/zinc/11/11/68/304111168.db2.gz DGTUJZDWJHTTKE-PKOBYXMFSA-N 2 2 326.444 1.758 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1Cc1ccccn1 ZINC000565832103 306392756 /nfs/dbraw/zinc/39/27/56/306392756.db2.gz NRUQSPJYKHQSEQ-KRWDZBQOSA-N 2 2 341.459 1.263 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1Cc1ccccn1 ZINC000565832103 306392757 /nfs/dbraw/zinc/39/27/57/306392757.db2.gz NRUQSPJYKHQSEQ-KRWDZBQOSA-N 2 2 341.459 1.263 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000361138043 283785614 /nfs/dbraw/zinc/78/56/14/283785614.db2.gz BIQNTLRSTXACGZ-AWEZNQCLSA-N 2 2 325.453 1.051 20 0 EDADLP CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414786776 304140873 /nfs/dbraw/zinc/14/08/73/304140873.db2.gz UUTURMHNDDKVCQ-OLZOCXBDSA-N 2 2 328.503 1.973 20 0 EDADLP CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414786776 304140875 /nfs/dbraw/zinc/14/08/75/304140875.db2.gz UUTURMHNDDKVCQ-OLZOCXBDSA-N 2 2 328.503 1.973 20 0 EDADLP FC(F)(F)[C@@H](C[NH2+]Cc1ncc(Cl)s1)N1CC[NH2+]CC1 ZINC000414996682 304149420 /nfs/dbraw/zinc/14/94/20/304149420.db2.gz XOZJHNQAQICJIB-MRVPVSSYSA-N 2 2 328.791 1.722 20 0 EDADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415046255 304154140 /nfs/dbraw/zinc/15/41/40/304154140.db2.gz UTOXOOOSKPTNMB-LJQANCHMSA-N 3 2 335.467 1.801 20 0 EDADLP Brc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCO1)OCO2 ZINC000415094966 304158890 /nfs/dbraw/zinc/15/88/90/304158890.db2.gz LCOBPCNJCIKPFB-JTQLQIEISA-N 2 2 329.194 1.256 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000195149246 139008008 /nfs/dbraw/zinc/00/80/08/139008008.db2.gz FVWWLEHHILFEQH-ULQDDVLXSA-N 2 2 344.459 1.455 20 0 EDADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000236823895 139032711 /nfs/dbraw/zinc/03/27/11/139032711.db2.gz AZRVHLGNGVEPAC-KRWDZBQOSA-N 2 2 335.448 1.346 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000236853376 139033449 /nfs/dbraw/zinc/03/34/49/139033449.db2.gz QLSRCNGPFOVWSO-SFHVURJKSA-N 2 2 346.475 1.807 20 0 EDADLP C[NH2+]CCCC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000237139663 139041984 /nfs/dbraw/zinc/04/19/84/139041984.db2.gz LGZVWXMNKPBONX-UHFFFAOYSA-N 2 2 335.448 1.348 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1csc(C[NH3+])n1)c1c(F)cccc1F ZINC000237203982 139044018 /nfs/dbraw/zinc/04/40/18/139044018.db2.gz HCJBUURVSOXUAT-GFCCVEGCSA-N 2 2 340.399 1.913 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccc(Cl)cc1 ZINC000567402988 306450564 /nfs/dbraw/zinc/45/05/64/306450564.db2.gz CQOBRLZTTIKVAR-JKSUJKDBSA-N 2 2 336.867 1.059 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)cc2)C[C@H](C)O1 ZINC000237631351 139056460 /nfs/dbraw/zinc/05/64/60/139056460.db2.gz UGQBBPQMPDGQJW-VBQJREDUSA-N 2 2 349.500 1.575 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)cc2)C[C@H](C)O1 ZINC000237631351 139056461 /nfs/dbraw/zinc/05/64/61/139056461.db2.gz UGQBBPQMPDGQJW-VBQJREDUSA-N 2 2 349.500 1.575 20 0 EDADLP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1COCC[NH2+]1 ZINC000237968435 139065378 /nfs/dbraw/zinc/06/53/78/139065378.db2.gz NSASXJYSVBALHA-INIZCTEOSA-N 2 2 335.473 1.205 20 0 EDADLP [NH3+][C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000238024947 139066774 /nfs/dbraw/zinc/06/67/74/139066774.db2.gz WNYXCMXPUXJKLH-IBGZPJMESA-N 2 2 339.439 1.835 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245464027 139076018 /nfs/dbraw/zinc/07/60/18/139076018.db2.gz XRIGQWQTLDHYDK-KGLIPLIRSA-N 2 2 332.448 1.386 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245464027 139076019 /nfs/dbraw/zinc/07/60/19/139076019.db2.gz XRIGQWQTLDHYDK-KGLIPLIRSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245464027 139076020 /nfs/dbraw/zinc/07/60/20/139076020.db2.gz XRIGQWQTLDHYDK-KGLIPLIRSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245464027 139076021 /nfs/dbraw/zinc/07/60/21/139076021.db2.gz XRIGQWQTLDHYDK-KGLIPLIRSA-N 2 2 332.448 1.386 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C1 ZINC000245464780 139076067 /nfs/dbraw/zinc/07/60/67/139076067.db2.gz YCJFQRXOKULUJO-FGTMMUONSA-N 2 2 339.524 1.972 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C1 ZINC000245464780 139076068 /nfs/dbraw/zinc/07/60/68/139076068.db2.gz YCJFQRXOKULUJO-FGTMMUONSA-N 2 2 339.524 1.972 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C1 ZINC000245464780 139076069 /nfs/dbraw/zinc/07/60/69/139076069.db2.gz YCJFQRXOKULUJO-FGTMMUONSA-N 2 2 339.524 1.972 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C1 ZINC000245464780 139076070 /nfs/dbraw/zinc/07/60/70/139076070.db2.gz YCJFQRXOKULUJO-FGTMMUONSA-N 2 2 339.524 1.972 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245600964 139080553 /nfs/dbraw/zinc/08/05/53/139080553.db2.gz IVTKSQUTZMPAOE-KBMXLJTQSA-N 2 2 328.420 1.305 20 0 EDADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245600964 139080554 /nfs/dbraw/zinc/08/05/54/139080554.db2.gz IVTKSQUTZMPAOE-KBMXLJTQSA-N 2 2 328.420 1.305 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245766280 139085783 /nfs/dbraw/zinc/08/57/83/139085783.db2.gz QWXGCJPMEDESMW-GOEBONIOSA-N 2 2 335.496 1.480 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245766280 139085784 /nfs/dbraw/zinc/08/57/84/139085784.db2.gz QWXGCJPMEDESMW-GOEBONIOSA-N 2 2 335.496 1.480 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245766280 139085785 /nfs/dbraw/zinc/08/57/85/139085785.db2.gz QWXGCJPMEDESMW-GOEBONIOSA-N 2 2 335.496 1.480 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245766280 139085786 /nfs/dbraw/zinc/08/57/86/139085786.db2.gz QWXGCJPMEDESMW-GOEBONIOSA-N 2 2 335.496 1.480 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246758835 139120543 /nfs/dbraw/zinc/12/05/43/139120543.db2.gz NQFIAGBHSHANOD-SJORKVTESA-N 2 2 325.497 1.534 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246758835 139120544 /nfs/dbraw/zinc/12/05/44/139120544.db2.gz NQFIAGBHSHANOD-SJORKVTESA-N 2 2 325.497 1.534 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000246858329 139124385 /nfs/dbraw/zinc/12/43/85/139124385.db2.gz DUGOGJGJLUACSL-DOTOQJQBSA-N 2 2 342.447 1.488 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248447733 139164333 /nfs/dbraw/zinc/16/43/33/139164333.db2.gz NPEBEMAZSGCSRN-IAGOWNOFSA-N 2 2 343.537 1.797 20 0 EDADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248447733 139164334 /nfs/dbraw/zinc/16/43/34/139164334.db2.gz NPEBEMAZSGCSRN-IAGOWNOFSA-N 2 2 343.537 1.797 20 0 EDADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248447733 139164335 /nfs/dbraw/zinc/16/43/35/139164335.db2.gz NPEBEMAZSGCSRN-IAGOWNOFSA-N 2 2 343.537 1.797 20 0 EDADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248447733 139164336 /nfs/dbraw/zinc/16/43/36/139164336.db2.gz NPEBEMAZSGCSRN-IAGOWNOFSA-N 2 2 343.537 1.797 20 0 EDADLP Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000415412709 304216998 /nfs/dbraw/zinc/21/69/98/304216998.db2.gz CKRDRLMMHVXRJE-ZDUSSCGKSA-N 2 2 342.399 1.926 20 0 EDADLP [NH3+]C[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000569093002 306496055 /nfs/dbraw/zinc/49/60/55/306496055.db2.gz LABLNBKTCRUWRH-SJLPKXTDSA-N 2 2 346.475 1.440 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccc(F)c1 ZINC000261671675 139216175 /nfs/dbraw/zinc/21/61/75/139216175.db2.gz GHLQYCBTBSWWMG-QLFBSQMISA-N 2 2 332.379 1.271 20 0 EDADLP c1cc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)[nH+]cc1N1CCOCC1 ZINC000261857315 139231867 /nfs/dbraw/zinc/23/18/67/139231867.db2.gz BVYHVTUDZLTYFY-ZACQAIPSSA-N 2 2 332.448 1.487 20 0 EDADLP CCO[C@@H](C)c1nc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)cs1 ZINC000261977093 139241253 /nfs/dbraw/zinc/24/12/53/139241253.db2.gz BTTUWUAOHFBSJV-ZDUSSCGKSA-N 2 2 340.493 1.494 20 0 EDADLP CCO[C@@H](C)c1nc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)cs1 ZINC000261977093 139241254 /nfs/dbraw/zinc/24/12/54/139241254.db2.gz BTTUWUAOHFBSJV-ZDUSSCGKSA-N 2 2 340.493 1.494 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415504783 304225347 /nfs/dbraw/zinc/22/53/47/304225347.db2.gz XZBBGRBXCUTURS-OAHLLOKOSA-N 2 2 327.388 1.021 20 0 EDADLP CCOc1c(OC)cc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1OC ZINC000414946175 250897652 /nfs/dbraw/zinc/89/76/52/250897652.db2.gz RTQPWALURASLRD-GOSISDBHSA-N 2 2 338.448 1.961 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000262106228 139251319 /nfs/dbraw/zinc/25/13/19/139251319.db2.gz WAEVBLDEIJRXBY-KRWDZBQOSA-N 2 2 341.459 1.896 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)[nH]1 ZINC000262106228 139251320 /nfs/dbraw/zinc/25/13/20/139251320.db2.gz WAEVBLDEIJRXBY-KRWDZBQOSA-N 2 2 341.459 1.896 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc(OC)c1 ZINC000262139635 139254437 /nfs/dbraw/zinc/25/44/37/139254437.db2.gz ZATHXKMYCKRVTI-IBGZPJMESA-N 2 2 333.476 1.821 20 0 EDADLP COc1cc(CN2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc(OC)c1 ZINC000262139635 139254438 /nfs/dbraw/zinc/25/44/38/139254438.db2.gz ZATHXKMYCKRVTI-IBGZPJMESA-N 2 2 333.476 1.821 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000262200612 139259417 /nfs/dbraw/zinc/25/94/17/139259417.db2.gz CZVPFLSVMDYLCQ-ABAIWWIYSA-N 2 2 327.375 1.019 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000262200612 139259418 /nfs/dbraw/zinc/25/94/18/139259418.db2.gz CZVPFLSVMDYLCQ-ABAIWWIYSA-N 2 2 327.375 1.019 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000416882184 251118098 /nfs/dbraw/zinc/11/80/98/251118098.db2.gz IFNHEEWKSGJLPS-LBPRGKRZSA-N 2 2 325.363 1.626 20 0 EDADLP C[C@H]1CC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000262444875 139279576 /nfs/dbraw/zinc/27/95/76/139279576.db2.gz HGIYGXSLYAPSKF-DZGCQCFKSA-N 2 2 325.478 1.354 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000262444875 139279577 /nfs/dbraw/zinc/27/95/77/139279577.db2.gz HGIYGXSLYAPSKF-DZGCQCFKSA-N 2 2 325.478 1.354 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)NC[C@H](C)C[NH3+])CC2)cc1F ZINC000418474704 251373959 /nfs/dbraw/zinc/37/39/59/251373959.db2.gz PZBUBTOQASXLTK-CYBMUJFWSA-N 2 2 338.427 1.256 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000418625534 251380509 /nfs/dbraw/zinc/38/05/09/251380509.db2.gz JEAPEOSQVSLZLV-AWEZNQCLSA-N 2 2 334.468 1.348 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C1C[NH2+]C1 ZINC000262583162 139288270 /nfs/dbraw/zinc/28/82/70/139288270.db2.gz UVSDBZULAAENGZ-CQSZACIVSA-N 2 2 344.459 1.061 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000262642306 139292553 /nfs/dbraw/zinc/29/25/53/139292553.db2.gz JDQMSVFWIYBCBS-SJLPKXTDSA-N 2 2 331.460 1.566 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422871158 252006399 /nfs/dbraw/zinc/00/63/99/252006399.db2.gz COODEYPENICFNP-BHIYHBOVSA-N 2 2 345.487 1.577 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)cn2)CC1 ZINC000422882538 252009691 /nfs/dbraw/zinc/00/96/91/252009691.db2.gz SNGBLXIUQSVEKU-SJLPKXTDSA-N 3 2 347.507 1.080 20 0 EDADLP FC(F)COc1cnccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423093702 252037102 /nfs/dbraw/zinc/03/71/02/252037102.db2.gz ACPWZMCOPJCGRC-GOEBONIOSA-N 2 2 327.375 1.582 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[NH2+]1 ZINC000422908328 252019070 /nfs/dbraw/zinc/01/90/70/252019070.db2.gz YGWNMMGHZGJSHU-INWMFGNUSA-N 2 2 333.432 1.041 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423946759 252106864 /nfs/dbraw/zinc/10/68/64/252106864.db2.gz VLABRUQICZAWGZ-RBUKOAKNSA-N 2 2 345.487 1.866 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423946759 252106868 /nfs/dbraw/zinc/10/68/68/252106868.db2.gz VLABRUQICZAWGZ-RBUKOAKNSA-N 2 2 345.487 1.866 20 0 EDADLP Cn1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424151317 252146044 /nfs/dbraw/zinc/14/60/44/252146044.db2.gz HEUDDFQCDKTPDP-CQSZACIVSA-N 2 2 342.447 1.630 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000424279513 252189674 /nfs/dbraw/zinc/18/96/74/252189674.db2.gz GMXQUYIRRAMPHF-HIEASXQVSA-N 2 2 332.444 1.553 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000424279513 252189676 /nfs/dbraw/zinc/18/96/76/252189676.db2.gz GMXQUYIRRAMPHF-HIEASXQVSA-N 2 2 332.444 1.553 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000424377292 252204772 /nfs/dbraw/zinc/20/47/72/252204772.db2.gz QZOWWJAOYIQYBU-DAXOMENPSA-N 2 2 325.478 1.857 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)n3cccn3)CC2)CC1 ZINC000424895155 252282317 /nfs/dbraw/zinc/28/23/17/252282317.db2.gz RNBUGXDENWZZHN-KRWDZBQOSA-N 2 2 347.507 1.853 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H](C)n3cccn3)CC2)CC1 ZINC000424895155 252282319 /nfs/dbraw/zinc/28/23/19/252282319.db2.gz RNBUGXDENWZZHN-KRWDZBQOSA-N 2 2 347.507 1.853 20 0 EDADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000263039873 139319206 /nfs/dbraw/zinc/31/92/06/139319206.db2.gz SRLVOQZPPCRCAB-IEBWSBKVSA-N 2 2 331.460 1.944 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000263067993 139320728 /nfs/dbraw/zinc/32/07/28/139320728.db2.gz WEOIIZVLNJDJGX-UHFFFAOYSA-N 2 2 347.507 1.461 20 0 EDADLP CC[NH+]1CCC([N@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)CC1 ZINC000125287403 285186899 /nfs/dbraw/zinc/18/68/99/285186899.db2.gz KCKGROGPOPRJDO-UHFFFAOYSA-N 2 2 335.496 1.481 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)CC1 ZINC000125287403 285186900 /nfs/dbraw/zinc/18/69/00/285186900.db2.gz KCKGROGPOPRJDO-UHFFFAOYSA-N 2 2 335.496 1.481 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000486958182 255021252 /nfs/dbraw/zinc/02/12/52/255021252.db2.gz QNTZASFBAUUHJL-UHFFFAOYSA-N 2 2 331.258 1.383 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488600642 255045958 /nfs/dbraw/zinc/04/59/58/255045958.db2.gz XIDCMMOJVCMTLW-CQSZACIVSA-N 2 2 328.420 1.784 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](CO)[C@H]3C)CC2)c1 ZINC000488713820 255050301 /nfs/dbraw/zinc/05/03/01/255050301.db2.gz CZSDXTBYHXORDQ-MJGOQNOKSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](CO)[C@H]3C)CC2)c1 ZINC000488713820 255050303 /nfs/dbraw/zinc/05/03/03/255050303.db2.gz CZSDXTBYHXORDQ-MJGOQNOKSA-N 2 2 345.487 1.342 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000492365547 255173159 /nfs/dbraw/zinc/17/31/59/255173159.db2.gz LDDCDOXKYDKKJG-GEXIGZQTSA-N 2 2 334.420 1.012 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000492365547 255173160 /nfs/dbraw/zinc/17/31/60/255173160.db2.gz LDDCDOXKYDKKJG-GEXIGZQTSA-N 2 2 334.420 1.012 20 0 EDADLP O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)NCC[NH+]1CCC(O)CC1 ZINC000493466939 255210194 /nfs/dbraw/zinc/21/01/94/255210194.db2.gz OFWUYTYGRVFBPV-UTCJRWHESA-N 2 2 340.427 1.458 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)/C=C\c3[nH]cc[nH+]3)nc2)C1 ZINC000493250745 255199545 /nfs/dbraw/zinc/19/95/45/255199545.db2.gz IFRIFVIOHACHIO-GEXIGZQTSA-N 2 2 326.404 1.597 20 0 EDADLP CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cccc2[nH+]ccn21 ZINC000495332250 255281381 /nfs/dbraw/zinc/28/13/81/255281381.db2.gz UZTOXGPVNVTGTQ-UHFFFAOYSA-N 2 2 334.420 1.653 20 0 EDADLP CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cccc2[nH+]ccn21 ZINC000495332250 255281382 /nfs/dbraw/zinc/28/13/82/255281382.db2.gz UZTOXGPVNVTGTQ-UHFFFAOYSA-N 2 2 334.420 1.653 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000263871650 139366220 /nfs/dbraw/zinc/36/62/20/139366220.db2.gz MISWRZWVGNTEOM-UHFFFAOYSA-N 2 2 328.416 1.336 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)CCO1 ZINC000494688397 255258100 /nfs/dbraw/zinc/25/81/00/255258100.db2.gz HWZMWKPNMMWWPS-BRWVUGGUSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)CCO1 ZINC000494688397 255258101 /nfs/dbraw/zinc/25/81/01/255258101.db2.gz HWZMWKPNMMWWPS-BRWVUGGUSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000494688397 255258102 /nfs/dbraw/zinc/25/81/02/255258102.db2.gz HWZMWKPNMMWWPS-BRWVUGGUSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CCO1 ZINC000494688397 255258103 /nfs/dbraw/zinc/25/81/03/255258103.db2.gz HWZMWKPNMMWWPS-BRWVUGGUSA-N 2 2 340.512 1.659 20 0 EDADLP C[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1Cc2ccccc2C1 ZINC000496315356 255379810 /nfs/dbraw/zinc/37/98/10/255379810.db2.gz WJQWCGKVLXVNLO-HXUWFJFHSA-N 2 2 341.455 1.960 20 0 EDADLP C[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1Cc2ccccc2C1 ZINC000496315356 255379811 /nfs/dbraw/zinc/37/98/11/255379811.db2.gz WJQWCGKVLXVNLO-HXUWFJFHSA-N 2 2 341.455 1.960 20 0 EDADLP C[NH+](C)CCN1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117746225 221085150 /nfs/dbraw/zinc/08/51/50/221085150.db2.gz KIFJNEIJHTVGKO-UHFFFAOYSA-N 2 2 327.432 1.192 20 0 EDADLP C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000151221377 533271112 /nfs/dbraw/zinc/27/11/12/533271112.db2.gz MXLLNOHBYDMHKE-GJZGRUSLSA-N 2 2 337.489 1.970 20 0 EDADLP COc1c(Br)cccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000187334994 533384702 /nfs/dbraw/zinc/38/47/02/533384702.db2.gz YJOIFDWULBZXRC-CQSZACIVSA-N 2 2 331.254 1.860 20 0 EDADLP CSCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000155179792 533577341 /nfs/dbraw/zinc/57/73/41/533577341.db2.gz IXXXRXFSKSFIFV-UHFFFAOYSA-N 2 2 328.526 1.549 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158927487 533582669 /nfs/dbraw/zinc/58/26/69/533582669.db2.gz VFPDFMHSTNWCCH-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158927487 533582675 /nfs/dbraw/zinc/58/26/75/533582675.db2.gz VFPDFMHSTNWCCH-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158927487 533582679 /nfs/dbraw/zinc/58/26/79/533582679.db2.gz VFPDFMHSTNWCCH-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158927487 533582682 /nfs/dbraw/zinc/58/26/82/533582682.db2.gz VFPDFMHSTNWCCH-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271724567 140339754 /nfs/dbraw/zinc/33/97/54/140339754.db2.gz ZUABWDVOSYDONN-UHFFFAOYSA-N 2 2 331.420 1.429 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271724567 140339757 /nfs/dbraw/zinc/33/97/57/140339757.db2.gz ZUABWDVOSYDONN-UHFFFAOYSA-N 2 2 331.420 1.429 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000331701805 141069911 /nfs/dbraw/zinc/06/99/11/141069911.db2.gz WABDIFNFTVIEMT-WCXIOVBPSA-N 2 2 346.475 1.379 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cccnc3N)CCC[NH+]2C)cn1 ZINC000331713637 141071646 /nfs/dbraw/zinc/07/16/46/141071646.db2.gz FAHHIYZZYJDANG-WMLDXEAASA-N 2 2 328.464 1.912 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cccnc3N)CCC[NH+]2C)cn1 ZINC000331713637 141071647 /nfs/dbraw/zinc/07/16/47/141071647.db2.gz FAHHIYZZYJDANG-WMLDXEAASA-N 2 2 328.464 1.912 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccnc3N)CCC[N@@H+]2C)cn1 ZINC000331713637 141071648 /nfs/dbraw/zinc/07/16/48/141071648.db2.gz FAHHIYZZYJDANG-WMLDXEAASA-N 2 2 328.464 1.912 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cccnc3N)CCC[N@H+]2C)cn1 ZINC000331713637 141071650 /nfs/dbraw/zinc/07/16/50/141071650.db2.gz FAHHIYZZYJDANG-WMLDXEAASA-N 2 2 328.464 1.912 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)[C@@H]1C ZINC000331965967 141104234 /nfs/dbraw/zinc/10/42/34/141104234.db2.gz RFVWTRKTGSSBMF-BZUAXINKSA-N 2 2 333.480 1.483 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)c[nH+]2)C[C@@H](C)O1 ZINC000332069525 141117632 /nfs/dbraw/zinc/11/76/32/141117632.db2.gz USMXMEJVZBGQII-IIAWOOMASA-N 2 2 347.463 1.328 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC000333481993 141324657 /nfs/dbraw/zinc/32/46/57/141324657.db2.gz CETGNSUCUPXSSD-ZFWWWQNUSA-N 2 2 332.452 1.005 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333538960 141333481 /nfs/dbraw/zinc/33/34/81/141333481.db2.gz JABQAPZQAJYCEC-HZPDHXFCSA-N 2 2 331.464 1.934 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000333629401 141347357 /nfs/dbraw/zinc/34/73/57/141347357.db2.gz GIDYIBYVJMECBB-CABCVRRESA-N 2 2 327.432 1.881 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000333696787 141360714 /nfs/dbraw/zinc/36/07/14/141360714.db2.gz CZJSKNHOWJBQEX-ZBFHGGJFSA-N 2 2 338.496 1.127 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000337215277 141551627 /nfs/dbraw/zinc/55/16/27/141551627.db2.gz YGWCDEGGZLEYFM-ZIFCJYIRSA-N 2 2 332.492 1.602 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000337215277 141551630 /nfs/dbraw/zinc/55/16/30/141551630.db2.gz YGWCDEGGZLEYFM-ZIFCJYIRSA-N 2 2 332.492 1.602 20 0 EDADLP CCC(CC)(CO)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340251572 142319932 /nfs/dbraw/zinc/31/99/32/142319932.db2.gz GZDWNCXFGGQEEB-UHFFFAOYSA-N 2 2 328.501 1.110 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000340258803 142322474 /nfs/dbraw/zinc/32/24/74/142322474.db2.gz UYMZZASXKZEPBU-QZTJIDSGSA-N 2 2 330.476 1.868 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H]2CCCC23CCCC3)CN1CC[NH+]1CCOCC1 ZINC000340303403 142335683 /nfs/dbraw/zinc/33/56/83/142335683.db2.gz SWQBRJSZQRCRHI-SJORKVTESA-N 2 2 335.492 1.622 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[C@@H](F)C3)CC2)CC1 ZINC000344702627 143000611 /nfs/dbraw/zinc/00/06/11/143000611.db2.gz SYYAHHUQXMDNJT-HIFRSBDPSA-N 2 2 326.460 1.735 20 0 EDADLP COc1c(O)cccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000344825123 143016382 /nfs/dbraw/zinc/01/63/82/143016382.db2.gz JRFQAULIYNXYMR-MLGOLLRUSA-N 2 2 330.388 1.244 20 0 EDADLP CCCN(CC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000344869825 143021945 /nfs/dbraw/zinc/02/19/45/143021945.db2.gz ZPHUQTJHGFPWBE-UHFFFAOYSA-N 2 2 333.476 1.933 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000345710495 143124279 /nfs/dbraw/zinc/12/42/79/143124279.db2.gz HBKIULNPLLPTIO-JONQDZQNSA-N 2 2 326.485 1.220 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000345710495 143124280 /nfs/dbraw/zinc/12/42/80/143124280.db2.gz HBKIULNPLLPTIO-JONQDZQNSA-N 2 2 326.485 1.220 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346039362 143160462 /nfs/dbraw/zinc/16/04/62/143160462.db2.gz MQEAKLSXJUKSBZ-QGZVFWFLSA-N 2 2 333.432 1.564 20 0 EDADLP Cc1cc(N[C@@H](CO)C[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000346107741 143168482 /nfs/dbraw/zinc/16/84/82/143168482.db2.gz WOISGZHEICMGRH-MRXNPFEDSA-N 2 2 327.432 1.528 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000346171030 143174750 /nfs/dbraw/zinc/17/47/50/143174750.db2.gz NQHCUVDKXBFXNK-KGLIPLIRSA-N 2 2 336.461 1.829 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000346171030 143174751 /nfs/dbraw/zinc/17/47/51/143174751.db2.gz NQHCUVDKXBFXNK-KGLIPLIRSA-N 2 2 336.461 1.829 20 0 EDADLP CC(=O)Nc1ccccc1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000346182614 143176177 /nfs/dbraw/zinc/17/61/77/143176177.db2.gz FXCQPLSZEHSVGU-UHFFFAOYSA-N 2 2 346.475 1.330 20 0 EDADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@H]1C ZINC000346671569 143229619 /nfs/dbraw/zinc/22/96/19/143229619.db2.gz JYILZMLRPAQJIY-HRCADAONSA-N 2 2 345.443 1.897 20 0 EDADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@H]1C ZINC000346671569 143229620 /nfs/dbraw/zinc/22/96/20/143229620.db2.gz JYILZMLRPAQJIY-HRCADAONSA-N 2 2 345.443 1.897 20 0 EDADLP O=C1C[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@@H](c2cccnc2)N1C1CC1 ZINC000346879070 143255371 /nfs/dbraw/zinc/25/53/71/143255371.db2.gz OAYBNHAGLFXVMV-SJLPKXTDSA-N 2 2 325.416 1.762 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000347651069 143345592 /nfs/dbraw/zinc/34/55/92/143345592.db2.gz PEKFAVSJHFCUPS-UHFFFAOYSA-N 3 2 338.521 1.749 20 0 EDADLP Cc1ocnc1CNC(=O)[C@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000347696241 143350792 /nfs/dbraw/zinc/35/07/92/143350792.db2.gz UGUWSUDZUPICQQ-MRXNPFEDSA-N 2 2 339.399 1.414 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(OC)cc(C)n2)nc[nH+]1 ZINC000347701440 143351706 /nfs/dbraw/zinc/35/17/06/143351706.db2.gz LGGMZAFNBSJJPL-HNNXBMFYSA-N 2 2 342.447 1.989 20 0 EDADLP CC(C)OCC[NH+]1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347848743 143370057 /nfs/dbraw/zinc/37/00/57/143370057.db2.gz IGOYMNFJKPDAFO-UHFFFAOYSA-N 2 2 326.510 1.747 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000572832662 306600031 /nfs/dbraw/zinc/60/00/31/306600031.db2.gz VRECDAHJHGHYAP-CQSZACIVSA-N 3 2 327.432 1.263 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000573060811 306609723 /nfs/dbraw/zinc/60/97/23/306609723.db2.gz SVWMYQHVSSNEOC-KBPBESRZSA-N 2 2 345.422 1.937 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCc4cccnc43)C2)CC1 ZINC000369729350 155153564 /nfs/dbraw/zinc/15/35/64/155153564.db2.gz JPLZUMLYQCZSFG-FUHWJXTLSA-N 2 2 342.487 1.786 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCc4cccnc43)C2)CC1 ZINC000369729350 155153566 /nfs/dbraw/zinc/15/35/66/155153566.db2.gz JPLZUMLYQCZSFG-FUHWJXTLSA-N 2 2 342.487 1.786 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000573426506 306620280 /nfs/dbraw/zinc/62/02/80/306620280.db2.gz OXFIYCWGYYXOGD-YOEHRIQHSA-N 2 2 332.448 1.638 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000352744727 149145317 /nfs/dbraw/zinc/14/53/17/149145317.db2.gz QFOCQTNFHRNEKU-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000352744727 149145319 /nfs/dbraw/zinc/14/53/19/149145319.db2.gz QFOCQTNFHRNEKU-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP CO[C@@H](C)c1noc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000369908072 155225727 /nfs/dbraw/zinc/22/57/27/155225727.db2.gz JDGSOZAEOOZCII-KGLIPLIRSA-N 2 2 337.468 1.377 20 0 EDADLP CO[C@@H](C)c1noc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000369908072 155225729 /nfs/dbraw/zinc/22/57/29/155225729.db2.gz JDGSOZAEOOZCII-KGLIPLIRSA-N 2 2 337.468 1.377 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c(F)c1 ZINC000352771284 149158635 /nfs/dbraw/zinc/15/86/35/149158635.db2.gz NUDCSALQFKCRLS-UHFFFAOYSA-N 2 2 336.455 1.642 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(F)c1 ZINC000352771284 149158636 /nfs/dbraw/zinc/15/86/36/149158636.db2.gz NUDCSALQFKCRLS-UHFFFAOYSA-N 2 2 336.455 1.642 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000353342747 149373303 /nfs/dbraw/zinc/37/33/03/149373303.db2.gz XPLBFWBRCMXWLO-QAPCUYQASA-N 2 2 347.459 1.739 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000353342747 149373305 /nfs/dbraw/zinc/37/33/05/149373305.db2.gz XPLBFWBRCMXWLO-QAPCUYQASA-N 2 2 347.459 1.739 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)c[nH+]2)CC1 ZINC000416972349 304358375 /nfs/dbraw/zinc/35/83/75/304358375.db2.gz GDMWEBPWGJCSCZ-MRXNPFEDSA-N 2 2 331.464 1.854 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC000416976971 304359179 /nfs/dbraw/zinc/35/91/79/304359179.db2.gz ANICBZNSONDPCX-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc(N(C)C)no2)CC1 ZINC000354914546 150028650 /nfs/dbraw/zinc/02/86/50/150028650.db2.gz DPEBYKMPRFFKRM-UHFFFAOYSA-N 2 2 344.463 1.567 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000354917445 150030323 /nfs/dbraw/zinc/03/03/23/150030323.db2.gz JYQGOXHIVUGBAT-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000354917445 150030324 /nfs/dbraw/zinc/03/03/24/150030324.db2.gz JYQGOXHIVUGBAT-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355014680 150077221 /nfs/dbraw/zinc/07/72/21/150077221.db2.gz QIXWNEVLGQIJST-LSDHHAIUSA-N 2 2 327.432 1.975 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000355029189 150082654 /nfs/dbraw/zinc/08/26/54/150082654.db2.gz UJWPBMGAGPHFMI-KURKYZTESA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000355029189 150082655 /nfs/dbraw/zinc/08/26/55/150082655.db2.gz UJWPBMGAGPHFMI-KURKYZTESA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000355029189 150082657 /nfs/dbraw/zinc/08/26/57/150082657.db2.gz UJWPBMGAGPHFMI-KURKYZTESA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000355029189 150082658 /nfs/dbraw/zinc/08/26/58/150082658.db2.gz UJWPBMGAGPHFMI-KURKYZTESA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000355073682 150104599 /nfs/dbraw/zinc/10/45/99/150104599.db2.gz RRHHJUJXZRQASY-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000355073682 150104601 /nfs/dbraw/zinc/10/46/01/150104601.db2.gz RRHHJUJXZRQASY-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355073682 150104605 /nfs/dbraw/zinc/10/46/05/150104605.db2.gz RRHHJUJXZRQASY-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355073682 150104608 /nfs/dbraw/zinc/10/46/08/150104608.db2.gz RRHHJUJXZRQASY-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000355249365 150183407 /nfs/dbraw/zinc/18/34/07/150183407.db2.gz UTMPLVAFHGPNPB-UHFFFAOYSA-N 2 2 330.432 1.582 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)c[nH+]1 ZINC000416983392 304361589 /nfs/dbraw/zinc/36/15/89/304361589.db2.gz IXSPMZIWQYFPHH-OAHLLOKOSA-N 2 2 335.452 1.187 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)C1 ZINC000416985331 304361888 /nfs/dbraw/zinc/36/18/88/304361888.db2.gz KYWIPVDHMKAEBU-IJEWVQPXSA-N 2 2 347.463 1.199 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)no1 ZINC000355578496 150322030 /nfs/dbraw/zinc/32/20/30/150322030.db2.gz SUTFWZOWOJHRKM-AWEZNQCLSA-N 2 2 336.436 1.063 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000355601059 150331331 /nfs/dbraw/zinc/33/13/31/150331331.db2.gz VGSSXOJTGSKUBE-ZDUSSCGKSA-N 2 2 331.420 1.972 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000355770543 150394681 /nfs/dbraw/zinc/39/46/81/150394681.db2.gz CCECVLOAYBXNSZ-UHFFFAOYSA-N 2 2 332.448 1.080 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000355770543 150394684 /nfs/dbraw/zinc/39/46/84/150394684.db2.gz CCECVLOAYBXNSZ-UHFFFAOYSA-N 2 2 332.448 1.080 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417044854 304365937 /nfs/dbraw/zinc/36/59/37/304365937.db2.gz UHFSXUWNYQVXPS-WBVHZDCISA-N 2 2 334.464 1.215 20 0 EDADLP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000370031792 155291049 /nfs/dbraw/zinc/29/10/49/155291049.db2.gz PIWGAYJMKVGDAO-HZPDHXFCSA-N 2 2 333.480 1.511 20 0 EDADLP Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000370031792 155291050 /nfs/dbraw/zinc/29/10/50/155291050.db2.gz PIWGAYJMKVGDAO-HZPDHXFCSA-N 2 2 333.480 1.511 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000357351518 151005072 /nfs/dbraw/zinc/00/50/72/151005072.db2.gz JZVGLJLPRJLZKE-HNNXBMFYSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000357351518 151005073 /nfs/dbraw/zinc/00/50/73/151005073.db2.gz JZVGLJLPRJLZKE-HNNXBMFYSA-N 2 2 347.450 1.437 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000357386238 151014903 /nfs/dbraw/zinc/01/49/03/151014903.db2.gz WOXJXIQVUVUVQH-MSOLQXFVSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000357386238 151014905 /nfs/dbraw/zinc/01/49/05/151014905.db2.gz WOXJXIQVUVUVQH-MSOLQXFVSA-N 2 2 335.492 1.717 20 0 EDADLP CCCCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000357392437 151017076 /nfs/dbraw/zinc/01/70/76/151017076.db2.gz TYWMGFXHOLPGOE-CVEARBPZSA-N 2 2 325.497 1.676 20 0 EDADLP CCCCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000357392437 151017077 /nfs/dbraw/zinc/01/70/77/151017077.db2.gz TYWMGFXHOLPGOE-CVEARBPZSA-N 2 2 325.497 1.676 20 0 EDADLP C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000357644957 151098567 /nfs/dbraw/zinc/09/85/67/151098567.db2.gz DSQOSSWFCDTPEA-MRXNPFEDSA-N 2 2 342.867 1.468 20 0 EDADLP C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000357644957 151098568 /nfs/dbraw/zinc/09/85/68/151098568.db2.gz DSQOSSWFCDTPEA-MRXNPFEDSA-N 2 2 342.867 1.468 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358436707 151375554 /nfs/dbraw/zinc/37/55/54/151375554.db2.gz MUCOIFGSRHOURC-BBWFWOEESA-N 2 2 340.512 1.611 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358436707 151375557 /nfs/dbraw/zinc/37/55/57/151375557.db2.gz MUCOIFGSRHOURC-BBWFWOEESA-N 2 2 340.512 1.611 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000417175146 292252380 /nfs/dbraw/zinc/25/23/80/292252380.db2.gz JJEBCJSGQFRVQR-AEFFLSMTSA-N 2 2 346.475 1.359 20 0 EDADLP COc1ccc(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000363860876 286298115 /nfs/dbraw/zinc/29/81/15/286298115.db2.gz LRJFKFJMQCVFEE-OAHLLOKOSA-N 2 2 346.475 1.260 20 0 EDADLP COc1ccc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000363860876 286298118 /nfs/dbraw/zinc/29/81/18/286298118.db2.gz LRJFKFJMQCVFEE-OAHLLOKOSA-N 2 2 346.475 1.260 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360564403 152098505 /nfs/dbraw/zinc/09/85/05/152098505.db2.gz QTJPRTQELUQRCM-VQIMIIECSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360564403 152098509 /nfs/dbraw/zinc/09/85/09/152098509.db2.gz QTJPRTQELUQRCM-VQIMIIECSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360564402 152098563 /nfs/dbraw/zinc/09/85/63/152098563.db2.gz QTJPRTQELUQRCM-QFBILLFUSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360564402 152098565 /nfs/dbraw/zinc/09/85/65/152098565.db2.gz QTJPRTQELUQRCM-QFBILLFUSA-N 2 2 331.460 1.564 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360880632 152239766 /nfs/dbraw/zinc/23/97/66/152239766.db2.gz ZFJQMNUCYJKCGA-HNNXBMFYSA-N 2 2 325.416 1.908 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000360880632 152239767 /nfs/dbraw/zinc/23/97/67/152239767.db2.gz ZFJQMNUCYJKCGA-HNNXBMFYSA-N 2 2 325.416 1.908 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000361122647 152312850 /nfs/dbraw/zinc/31/28/50/152312850.db2.gz KTUSTVJKPOQFIY-NVXWUHKLSA-N 2 2 327.432 1.695 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000361122647 152312852 /nfs/dbraw/zinc/31/28/52/152312852.db2.gz KTUSTVJKPOQFIY-NVXWUHKLSA-N 2 2 327.432 1.695 20 0 EDADLP Cc1ccc([C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)c(C)c1 ZINC000370142624 155346132 /nfs/dbraw/zinc/34/61/32/155346132.db2.gz ZDJWFVMDLMABPW-LJQANCHMSA-N 2 2 345.487 1.841 20 0 EDADLP Cc1ccc([C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)c(C)c1 ZINC000370142624 155346138 /nfs/dbraw/zinc/34/61/38/155346138.db2.gz ZDJWFVMDLMABPW-LJQANCHMSA-N 2 2 345.487 1.841 20 0 EDADLP Cc1cc([C@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)no1 ZINC000361170666 152325703 /nfs/dbraw/zinc/32/57/03/152325703.db2.gz VCKINZSMRHWUOC-QGZVFWFLSA-N 2 2 342.447 1.862 20 0 EDADLP Cc1cc([C@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)no1 ZINC000361170666 152325706 /nfs/dbraw/zinc/32/57/06/152325706.db2.gz VCKINZSMRHWUOC-QGZVFWFLSA-N 2 2 342.447 1.862 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)CC1 ZINC000361367877 152373906 /nfs/dbraw/zinc/37/39/06/152373906.db2.gz RHJIJFJMBSSVNE-INIZCTEOSA-N 2 2 349.479 1.004 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)n1C1CC1 ZINC000363711583 153036122 /nfs/dbraw/zinc/03/61/22/153036122.db2.gz ZEJCFWBCRJDOOP-IAOVAPTHSA-N 2 2 333.480 1.900 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)n1C1CC1 ZINC000363711583 153036124 /nfs/dbraw/zinc/03/61/24/153036124.db2.gz ZEJCFWBCRJDOOP-IAOVAPTHSA-N 2 2 333.480 1.900 20 0 EDADLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cc(C(N)=O)cs3)CCC[N@@H+]2C)cn1 ZINC000363726761 153039811 /nfs/dbraw/zinc/03/98/11/153039811.db2.gz BQECABZHGBFQES-MLGOLLRUSA-N 2 2 347.488 1.753 20 0 EDADLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cc(C(N)=O)cs3)CCC[N@H+]2C)cn1 ZINC000363726761 153039812 /nfs/dbraw/zinc/03/98/12/153039812.db2.gz BQECABZHGBFQES-MLGOLLRUSA-N 2 2 347.488 1.753 20 0 EDADLP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CCn1cc[nH+]c1 ZINC000363766737 153050486 /nfs/dbraw/zinc/05/04/86/153050486.db2.gz HVKQMUXFNSKWLG-IBGZPJMESA-N 2 2 342.443 1.369 20 0 EDADLP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CCn1cc[nH+]c1 ZINC000363766737 153050487 /nfs/dbraw/zinc/05/04/87/153050487.db2.gz HVKQMUXFNSKWLG-IBGZPJMESA-N 2 2 342.443 1.369 20 0 EDADLP CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000363889088 153086011 /nfs/dbraw/zinc/08/60/11/153086011.db2.gz OBUKLAZVFZEHIK-UHFFFAOYSA-N 2 2 345.491 1.422 20 0 EDADLP CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000363889088 153086013 /nfs/dbraw/zinc/08/60/13/153086013.db2.gz OBUKLAZVFZEHIK-UHFFFAOYSA-N 2 2 345.491 1.422 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363957659 153107386 /nfs/dbraw/zinc/10/73/86/153107386.db2.gz CUIIOWXLWKDIQL-RHSMWYFYSA-N 2 2 343.475 1.832 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363957659 153107388 /nfs/dbraw/zinc/10/73/88/153107388.db2.gz CUIIOWXLWKDIQL-RHSMWYFYSA-N 2 2 343.475 1.832 20 0 EDADLP C[NH+](C)CCCOC1CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000364384676 153222971 /nfs/dbraw/zinc/22/29/71/153222971.db2.gz ZWUIGQFCFZBYEP-UHFFFAOYSA-N 2 2 333.480 1.402 20 0 EDADLP C[NH+](C)CCCOC1CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000364384676 153222973 /nfs/dbraw/zinc/22/29/73/153222973.db2.gz ZWUIGQFCFZBYEP-UHFFFAOYSA-N 2 2 333.480 1.402 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364428538 153234588 /nfs/dbraw/zinc/23/45/88/153234588.db2.gz USNUCPQODXIGAM-BFYDXBDKSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364428538 153234589 /nfs/dbraw/zinc/23/45/89/153234589.db2.gz USNUCPQODXIGAM-BFYDXBDKSA-N 2 2 328.460 1.897 20 0 EDADLP COC(=O)CCCc1nc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)no1 ZINC000364671277 153299511 /nfs/dbraw/zinc/29/95/11/153299511.db2.gz KUFCOJGDHYJUPA-CYBMUJFWSA-N 2 2 347.419 1.456 20 0 EDADLP COC(=O)CCCc1nc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)no1 ZINC000364671277 153299513 /nfs/dbraw/zinc/29/95/13/153299513.db2.gz KUFCOJGDHYJUPA-CYBMUJFWSA-N 2 2 347.419 1.456 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CO)c3ccccc3)C2)CC1 ZINC000364991896 153393288 /nfs/dbraw/zinc/39/32/88/153393288.db2.gz AMNLEZIESUBSCU-SJLPKXTDSA-N 2 2 346.475 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CO)c3ccccc3)C2)CC1 ZINC000364991896 153393290 /nfs/dbraw/zinc/39/32/90/153393290.db2.gz AMNLEZIESUBSCU-SJLPKXTDSA-N 2 2 346.475 1.188 20 0 EDADLP COC(=O)c1ccnc(N2CCC[N@H+](CCn3cc[nH+]c3)CC2)c1 ZINC000367242397 154053033 /nfs/dbraw/zinc/05/30/33/154053033.db2.gz ZSOSWLGWPSCVJJ-UHFFFAOYSA-N 2 2 329.404 1.277 20 0 EDADLP COC(=O)c1ccnc(N2CCC[N@@H+](CCn3cc[nH+]c3)CC2)c1 ZINC000367242397 154053035 /nfs/dbraw/zinc/05/30/35/154053035.db2.gz ZSOSWLGWPSCVJJ-UHFFFAOYSA-N 2 2 329.404 1.277 20 0 EDADLP C[N@H+](CC(=O)NC(=O)NC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367604495 154196449 /nfs/dbraw/zinc/19/64/49/154196449.db2.gz UJUJTEYOOSFWEP-XYPWUTKMSA-N 2 2 336.480 1.702 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367604495 154196451 /nfs/dbraw/zinc/19/64/51/154196451.db2.gz UJUJTEYOOSFWEP-XYPWUTKMSA-N 2 2 336.480 1.702 20 0 EDADLP C[NH+](CC(=O)NC(=O)NC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367604495 154196455 /nfs/dbraw/zinc/19/64/55/154196455.db2.gz UJUJTEYOOSFWEP-XYPWUTKMSA-N 2 2 336.480 1.702 20 0 EDADLP C[NH+](CC(=O)NC(=O)NC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367604495 154196457 /nfs/dbraw/zinc/19/64/57/154196457.db2.gz UJUJTEYOOSFWEP-XYPWUTKMSA-N 2 2 336.480 1.702 20 0 EDADLP C[C@@H](CCn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000367688245 154229556 /nfs/dbraw/zinc/22/95/56/154229556.db2.gz MIXJNNJUBJNWMY-XYTVBORESA-N 2 2 333.480 1.335 20 0 EDADLP C[C@@H](CCn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000367688245 154229562 /nfs/dbraw/zinc/22/95/62/154229562.db2.gz MIXJNNJUBJNWMY-XYTVBORESA-N 2 2 333.480 1.335 20 0 EDADLP CCc1nnc2n1C[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000369421417 155025468 /nfs/dbraw/zinc/02/54/68/155025468.db2.gz CCOKJBROZCSQDX-KRWDZBQOSA-N 2 2 340.475 1.805 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369658898 155122338 /nfs/dbraw/zinc/12/23/38/155122338.db2.gz DZQVILGCDAWBQR-BBWFWOEESA-N 2 2 343.475 1.773 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369658898 155122342 /nfs/dbraw/zinc/12/23/42/155122342.db2.gz DZQVILGCDAWBQR-BBWFWOEESA-N 2 2 343.475 1.773 20 0 EDADLP Cc1ccc(C)c(OCC[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371557199 156001342 /nfs/dbraw/zinc/00/13/42/156001342.db2.gz QHAPGKBLBUTAIG-LJQANCHMSA-N 2 2 347.503 1.630 20 0 EDADLP Cc1ccc(C)c(OCC[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371557199 156001344 /nfs/dbraw/zinc/00/13/44/156001344.db2.gz QHAPGKBLBUTAIG-LJQANCHMSA-N 2 2 347.503 1.630 20 0 EDADLP CCOC(=O)CCC[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000371800410 156111238 /nfs/dbraw/zinc/11/12/38/156111238.db2.gz BIOFHPMYHARCLC-UHFFFAOYSA-N 2 2 348.491 1.989 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c2n1CCCC2 ZINC000371982645 156195187 /nfs/dbraw/zinc/19/51/87/156195187.db2.gz CBPJPWWDTNKAQG-KGLIPLIRSA-N 2 2 349.479 1.124 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c2n1CCCC2 ZINC000371982645 156195194 /nfs/dbraw/zinc/19/51/94/156195194.db2.gz CBPJPWWDTNKAQG-KGLIPLIRSA-N 2 2 349.479 1.124 20 0 EDADLP CC1(C)CC[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)O1 ZINC000372408196 156374874 /nfs/dbraw/zinc/37/48/74/156374874.db2.gz GVRDBZSTEAUWIS-KRWDZBQOSA-N 2 2 325.497 1.330 20 0 EDADLP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)O1 ZINC000372408196 156374876 /nfs/dbraw/zinc/37/48/76/156374876.db2.gz GVRDBZSTEAUWIS-KRWDZBQOSA-N 2 2 325.497 1.330 20 0 EDADLP CCCn1nc(C)c(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000372417848 156379057 /nfs/dbraw/zinc/37/90/57/156379057.db2.gz YHTHJYWAXZBBSS-GOSISDBHSA-N 2 2 349.523 1.358 20 0 EDADLP CCCn1nc(C)c(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000372417848 156379062 /nfs/dbraw/zinc/37/90/62/156379062.db2.gz YHTHJYWAXZBBSS-GOSISDBHSA-N 2 2 349.523 1.358 20 0 EDADLP C[N@H+](C[C@@H]1CC12CC[NH+](CC(=O)Nc1nncs1)CC2)C1CC1 ZINC000374306966 157234730 /nfs/dbraw/zinc/23/47/30/157234730.db2.gz BWEXATSMGIJJKG-LBPRGKRZSA-N 2 2 335.477 1.673 20 0 EDADLP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(=O)Nc1nncs1)CC2)C1CC1 ZINC000374306966 157234734 /nfs/dbraw/zinc/23/47/34/157234734.db2.gz BWEXATSMGIJJKG-LBPRGKRZSA-N 2 2 335.477 1.673 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374420246 157285621 /nfs/dbraw/zinc/28/56/21/157285621.db2.gz KYZXGUXBYGPJKC-GBESFXJTSA-N 2 2 345.487 1.795 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374420246 157285624 /nfs/dbraw/zinc/28/56/24/157285624.db2.gz KYZXGUXBYGPJKC-GBESFXJTSA-N 2 2 345.487 1.795 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000374662005 157359512 /nfs/dbraw/zinc/35/95/12/157359512.db2.gz JVLFDHVEDSRHAB-KRWDZBQOSA-N 2 2 341.459 1.890 20 0 EDADLP Cn1cc2c(n1)CCC[C@H]2NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000374750842 157387046 /nfs/dbraw/zinc/38/70/46/157387046.db2.gz RXTGPALYLOVDNQ-MRXNPFEDSA-N 2 2 348.495 1.123 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn(Cc3cccnc3)nn2)C1 ZINC000377832701 158004425 /nfs/dbraw/zinc/00/44/25/158004425.db2.gz CSZUAGAHVYCULE-SJLPKXTDSA-N 2 2 326.448 1.638 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn(Cc3cccnc3)nn2)C1 ZINC000377832701 158004427 /nfs/dbraw/zinc/00/44/27/158004427.db2.gz CSZUAGAHVYCULE-SJLPKXTDSA-N 2 2 326.448 1.638 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cn(Cc3cccnc3)nn2)C1 ZINC000377832701 158004432 /nfs/dbraw/zinc/00/44/32/158004432.db2.gz CSZUAGAHVYCULE-SJLPKXTDSA-N 2 2 326.448 1.638 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cn(Cc3cccnc3)nn2)C1 ZINC000377832701 158004435 /nfs/dbraw/zinc/00/44/35/158004435.db2.gz CSZUAGAHVYCULE-SJLPKXTDSA-N 2 2 326.448 1.638 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)C2 ZINC000377903334 158024480 /nfs/dbraw/zinc/02/44/80/158024480.db2.gz GOOLBBDMDFPASY-FUHWJXTLSA-N 2 2 347.507 1.142 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)C2 ZINC000377903334 158024481 /nfs/dbraw/zinc/02/44/81/158024481.db2.gz GOOLBBDMDFPASY-FUHWJXTLSA-N 2 2 347.507 1.142 20 0 EDADLP CN1CC[C@@H]([N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000378004430 158053401 /nfs/dbraw/zinc/05/34/01/158053401.db2.gz NEIPQXNVSBZAHK-GOSISDBHSA-N 3 2 336.524 1.345 20 0 EDADLP CN1CC[C@@H]([N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000378004430 158053404 /nfs/dbraw/zinc/05/34/04/158053404.db2.gz NEIPQXNVSBZAHK-GOSISDBHSA-N 3 2 336.524 1.345 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000378109258 158080952 /nfs/dbraw/zinc/08/09/52/158080952.db2.gz DEJAECXHLISZKA-HNNXBMFYSA-N 2 2 349.479 1.456 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000378109258 158080956 /nfs/dbraw/zinc/08/09/56/158080956.db2.gz DEJAECXHLISZKA-HNNXBMFYSA-N 2 2 349.479 1.456 20 0 EDADLP COc1cc(C[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1O ZINC000378519597 158197776 /nfs/dbraw/zinc/19/77/76/158197776.db2.gz JSLZVKOZBCGMCD-UHFFFAOYSA-N 2 2 347.459 1.577 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1cccc(F)c1 ZINC000378576408 158213040 /nfs/dbraw/zinc/21/30/40/158213040.db2.gz GZGLWIPHHRDVNG-MAUKXSAKSA-N 2 2 349.450 1.800 20 0 EDADLP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000408411637 158356024 /nfs/dbraw/zinc/35/60/24/158356024.db2.gz JLFUQLAMTZUCCD-DJIMGWMZSA-N 2 2 344.521 1.433 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000422997490 304882660 /nfs/dbraw/zinc/88/26/60/304882660.db2.gz BLXKOPCYZUCFCG-IHRRRGAJSA-N 2 2 346.518 1.393 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000272948182 161575871 /nfs/dbraw/zinc/57/58/71/161575871.db2.gz XXRFCMGMGBJFIA-UHFFFAOYSA-N 2 2 345.491 1.654 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](C)O ZINC000352186955 162038368 /nfs/dbraw/zinc/03/83/68/162038368.db2.gz PCRIYKVBYYUMSF-HNNXBMFYSA-N 2 2 335.448 1.160 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](C)O ZINC000352186955 162038374 /nfs/dbraw/zinc/03/83/74/162038374.db2.gz PCRIYKVBYYUMSF-HNNXBMFYSA-N 2 2 335.448 1.160 20 0 EDADLP C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352349809 162133048 /nfs/dbraw/zinc/13/30/48/162133048.db2.gz NHFZVSZXZARLHX-FFZOFVMBSA-N 2 2 348.487 1.484 20 0 EDADLP C[C@@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352349809 162133051 /nfs/dbraw/zinc/13/30/51/162133051.db2.gz NHFZVSZXZARLHX-FFZOFVMBSA-N 2 2 348.487 1.484 20 0 EDADLP C[C@@H]1OCC[C@@]1(O)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352349809 162133053 /nfs/dbraw/zinc/13/30/53/162133053.db2.gz NHFZVSZXZARLHX-FFZOFVMBSA-N 2 2 348.487 1.484 20 0 EDADLP C[C@@H]1OCC[C@@]1(O)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352349809 162133056 /nfs/dbraw/zinc/13/30/56/162133056.db2.gz NHFZVSZXZARLHX-FFZOFVMBSA-N 2 2 348.487 1.484 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000352487337 162207065 /nfs/dbraw/zinc/20/70/65/162207065.db2.gz DAQYMPGMUFPVSS-KRWDZBQOSA-N 2 2 341.459 1.692 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000352487337 162207068 /nfs/dbraw/zinc/20/70/68/162207068.db2.gz DAQYMPGMUFPVSS-KRWDZBQOSA-N 2 2 341.459 1.692 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000358801029 162288438 /nfs/dbraw/zinc/28/84/38/162288438.db2.gz BZINQCZKCUHXGG-IKGGRYGDSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000358801029 162288439 /nfs/dbraw/zinc/28/84/39/162288439.db2.gz BZINQCZKCUHXGG-IKGGRYGDSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000358801029 162288442 /nfs/dbraw/zinc/28/84/42/162288442.db2.gz BZINQCZKCUHXGG-IKGGRYGDSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000358801029 162288445 /nfs/dbraw/zinc/28/84/45/162288445.db2.gz BZINQCZKCUHXGG-IKGGRYGDSA-N 2 2 338.496 1.079 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000364615302 162339313 /nfs/dbraw/zinc/33/93/13/162339313.db2.gz WINIYVWBRLWFKB-HOTGVXAUSA-N 2 2 333.480 1.072 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000364615302 162339317 /nfs/dbraw/zinc/33/93/17/162339317.db2.gz WINIYVWBRLWFKB-HOTGVXAUSA-N 2 2 333.480 1.072 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647516398 452250943 /nfs/dbraw/zinc/25/09/43/452250943.db2.gz OOKDEDKADQFHCK-GHMZBOCLSA-N 2 2 337.247 1.245 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000079254337 287298964 /nfs/dbraw/zinc/29/89/64/287298964.db2.gz TUFZUNHCAZZEKY-UHFFFAOYSA-N 2 2 341.459 1.889 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158475481 225022578 /nfs/dbraw/zinc/02/25/78/225022578.db2.gz QRIDMOGUOMUESG-JFIYKMOQSA-N 3 2 331.508 1.652 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158475481 225022583 /nfs/dbraw/zinc/02/25/83/225022583.db2.gz QRIDMOGUOMUESG-JFIYKMOQSA-N 3 2 331.508 1.652 20 0 EDADLP CC[N@H+](CCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C1CC1 ZINC000119272576 287351359 /nfs/dbraw/zinc/35/13/59/287351359.db2.gz KASGYDYJJKQOBQ-UHFFFAOYSA-N 2 2 347.463 1.832 20 0 EDADLP CC[N@@H+](CCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C1CC1 ZINC000119272576 287351360 /nfs/dbraw/zinc/35/13/60/287351360.db2.gz KASGYDYJJKQOBQ-UHFFFAOYSA-N 2 2 347.463 1.832 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000159231997 225177231 /nfs/dbraw/zinc/17/72/31/225177231.db2.gz PBBPKPAKIITZQE-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000159231997 225177236 /nfs/dbraw/zinc/17/72/36/225177236.db2.gz PBBPKPAKIITZQE-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000122367297 222073697 /nfs/dbraw/zinc/07/36/97/222073697.db2.gz UVIKKNNYFVLRDL-BRWVUGGUSA-N 2 2 338.496 1.269 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123688085 222318008 /nfs/dbraw/zinc/31/80/08/222318008.db2.gz TXYZAAPPTBTQKZ-DYVFJYSZSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123688085 222318012 /nfs/dbraw/zinc/31/80/12/222318012.db2.gz TXYZAAPPTBTQKZ-DYVFJYSZSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123688085 222318015 /nfs/dbraw/zinc/31/80/15/222318015.db2.gz TXYZAAPPTBTQKZ-DYVFJYSZSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123688085 222318020 /nfs/dbraw/zinc/31/80/20/222318020.db2.gz TXYZAAPPTBTQKZ-DYVFJYSZSA-N 2 2 332.448 1.998 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000418416323 304493954 /nfs/dbraw/zinc/49/39/54/304493954.db2.gz QIEOQTUNKDXHQH-DOTOQJQBSA-N 2 2 333.480 1.843 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccnn1C ZINC000192787396 272986375 /nfs/dbraw/zinc/98/63/75/272986375.db2.gz KOQFRMGPUTWDFD-HNNXBMFYSA-N 2 2 342.447 1.205 20 0 EDADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]cc2Br)CC1 ZINC000274792450 268208218 /nfs/dbraw/zinc/20/82/18/268208218.db2.gz HPWGJCHUEUCMDT-UHFFFAOYSA-N 2 2 327.226 1.054 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000275468931 268347415 /nfs/dbraw/zinc/34/74/15/268347415.db2.gz INVAPOXIUCOXFG-GOSISDBHSA-N 2 2 331.439 1.406 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000275468931 268347417 /nfs/dbraw/zinc/34/74/17/268347417.db2.gz INVAPOXIUCOXFG-GOSISDBHSA-N 2 2 331.439 1.406 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275532610 268356389 /nfs/dbraw/zinc/35/63/89/268356389.db2.gz YVGLCFDAZUCWNY-CQSZACIVSA-N 2 2 328.420 1.642 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275703732 268370306 /nfs/dbraw/zinc/37/03/06/268370306.db2.gz UNONBXGWHBVBIB-HIFRSBDPSA-N 2 2 330.436 1.586 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000275754765 273125029 /nfs/dbraw/zinc/12/50/29/273125029.db2.gz DBYLPQHCBCETGR-UHFFFAOYSA-N 2 2 328.416 1.384 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000275754765 273125031 /nfs/dbraw/zinc/12/50/31/273125031.db2.gz DBYLPQHCBCETGR-UHFFFAOYSA-N 2 2 328.416 1.384 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000279249694 273288769 /nfs/dbraw/zinc/28/87/69/273288769.db2.gz PDMPGKNTZJNHIQ-GJZGRUSLSA-N 2 2 338.452 1.244 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)c[nH+]2)CCO1 ZINC000280937654 273417355 /nfs/dbraw/zinc/41/73/55/273417355.db2.gz VRMCNEWKGBFUAZ-IDHHARJASA-N 2 2 344.459 1.313 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000281265185 273454955 /nfs/dbraw/zinc/45/49/55/273454955.db2.gz WQHVXHHEAZLLRB-MRXNPFEDSA-N 2 2 326.400 1.739 20 0 EDADLP OCCO[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284131430 274090769 /nfs/dbraw/zinc/09/07/69/274090769.db2.gz OFKXSGPYTFQMES-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284131430 274090771 /nfs/dbraw/zinc/09/07/71/274090771.db2.gz OFKXSGPYTFQMES-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284131430 274090773 /nfs/dbraw/zinc/09/07/73/274090773.db2.gz OFKXSGPYTFQMES-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284131430 274090774 /nfs/dbraw/zinc/09/07/74/274090774.db2.gz OFKXSGPYTFQMES-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000284453063 274207769 /nfs/dbraw/zinc/20/77/69/274207769.db2.gz PYBQMKZBXHGWDM-AWEZNQCLSA-N 2 2 347.463 1.106 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000284620960 274267509 /nfs/dbraw/zinc/26/75/09/274267509.db2.gz SNFPKDXZVLCRBV-FZKQIMNGSA-N 2 2 342.399 1.301 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000285046730 274434500 /nfs/dbraw/zinc/43/45/00/274434500.db2.gz KYMIPTFJSMVAED-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP COC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000285399175 274528958 /nfs/dbraw/zinc/52/89/58/274528958.db2.gz UBRKTVDFOYYKHP-WOJBJXKFSA-N 2 2 347.503 1.982 20 0 EDADLP CCN1CCN(C(=O)NCC2([NH+](C)C)CCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000354507927 276189133 /nfs/dbraw/zinc/18/91/33/276189133.db2.gz UVTUJRVRDNSVBL-AWEZNQCLSA-N 2 2 334.468 1.282 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]([NH2+]C)c3cnn(C)c3)sc2C1 ZINC000262350445 276237637 /nfs/dbraw/zinc/23/76/37/276237637.db2.gz JAQZXLDUGHELEM-CYBMUJFWSA-N 2 2 334.449 1.154 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]([NH2+]C)c3cnn(C)c3)sc2C1 ZINC000262350445 276237639 /nfs/dbraw/zinc/23/76/39/276237639.db2.gz JAQZXLDUGHELEM-CYBMUJFWSA-N 2 2 334.449 1.154 20 0 EDADLP NC(=O)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285964635 287902604 /nfs/dbraw/zinc/90/26/04/287902604.db2.gz KXTCTFPFHQVPKC-UHFFFAOYSA-N 2 2 330.476 1.396 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn4c3CCCC4)C2)CC1 ZINC000376209958 277028787 /nfs/dbraw/zinc/02/87/87/277028787.db2.gz KTRQJCNGURZIFC-AWEZNQCLSA-N 2 2 331.464 1.118 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnn4c3CCCC4)C2)CC1 ZINC000376209958 277028789 /nfs/dbraw/zinc/02/87/89/277028789.db2.gz KTRQJCNGURZIFC-AWEZNQCLSA-N 2 2 331.464 1.118 20 0 EDADLP CO[C@@H]1CCC[C@@H](CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373511068 277286476 /nfs/dbraw/zinc/28/64/76/277286476.db2.gz WFNYWAAFYWHTHO-SOLBZPMBSA-N 2 2 337.508 1.866 20 0 EDADLP CO[C@@H]1CCC[C@@H](CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373511068 277286478 /nfs/dbraw/zinc/28/64/78/277286478.db2.gz WFNYWAAFYWHTHO-SOLBZPMBSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751110 277355902 /nfs/dbraw/zinc/35/59/02/277355902.db2.gz FTNXVNAEKLAQHP-ROUUACIJSA-N 2 2 338.540 1.639 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109751110 277355903 /nfs/dbraw/zinc/35/59/03/277355903.db2.gz FTNXVNAEKLAQHP-ROUUACIJSA-N 2 2 338.540 1.639 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000119557359 278069774 /nfs/dbraw/zinc/06/97/74/278069774.db2.gz ODUSUZHWBVOVON-CQSZACIVSA-N 2 2 348.447 1.800 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000119557359 278069776 /nfs/dbraw/zinc/06/97/76/278069776.db2.gz ODUSUZHWBVOVON-CQSZACIVSA-N 2 2 348.447 1.800 20 0 EDADLP Cc1ncc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000360619417 279147997 /nfs/dbraw/zinc/14/79/97/279147997.db2.gz OJVOTXBHUJTHFG-MRXNPFEDSA-N 2 2 331.464 1.334 20 0 EDADLP Cc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000360619417 279147998 /nfs/dbraw/zinc/14/79/98/279147998.db2.gz OJVOTXBHUJTHFG-MRXNPFEDSA-N 2 2 331.464 1.334 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000360137590 279375764 /nfs/dbraw/zinc/37/57/64/279375764.db2.gz VJKWRJPBMOAQAI-JKSUJKDBSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000360137590 279375765 /nfs/dbraw/zinc/37/57/65/279375765.db2.gz VJKWRJPBMOAQAI-JKSUJKDBSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)cn2c1 ZINC000287185190 288175710 /nfs/dbraw/zinc/17/57/10/288175710.db2.gz NVDWYEKOGKPVTA-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)cn2c1 ZINC000287185190 288175713 /nfs/dbraw/zinc/17/57/13/288175713.db2.gz NVDWYEKOGKPVTA-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000132865277 280019164 /nfs/dbraw/zinc/01/91/64/280019164.db2.gz AJEXGPZLZLELDQ-DLBZAZTESA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000132865277 280019166 /nfs/dbraw/zinc/01/91/66/280019166.db2.gz AJEXGPZLZLELDQ-DLBZAZTESA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000132865277 280019167 /nfs/dbraw/zinc/01/91/67/280019167.db2.gz AJEXGPZLZLELDQ-DLBZAZTESA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000132865277 280019170 /nfs/dbraw/zinc/01/91/70/280019170.db2.gz AJEXGPZLZLELDQ-DLBZAZTESA-N 2 2 345.553 1.902 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@]2(F)CC[NH2+]C2)C[C@@H](C)O1 ZINC000373872016 288219499 /nfs/dbraw/zinc/21/94/99/288219499.db2.gz RKMWOWCPGPSCDH-LBTNJELSSA-N 2 2 335.423 1.936 20 0 EDADLP CC[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000174607308 280352412 /nfs/dbraw/zinc/35/24/12/280352412.db2.gz YVFRGBMXFDAJHK-GDBMZVCRSA-N 2 2 330.432 1.180 20 0 EDADLP CC[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000174607308 280352414 /nfs/dbraw/zinc/35/24/14/280352414.db2.gz YVFRGBMXFDAJHK-GDBMZVCRSA-N 2 2 330.432 1.180 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C1 ZINC000662151210 452886570 /nfs/dbraw/zinc/88/65/70/452886570.db2.gz GFFUVGSIOOXZME-LBPRGKRZSA-N 2 2 328.350 1.434 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C1 ZINC000662151210 452886580 /nfs/dbraw/zinc/88/65/80/452886580.db2.gz GFFUVGSIOOXZME-LBPRGKRZSA-N 2 2 328.350 1.434 20 0 EDADLP C[C@@H]1COCC[C@H]1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000433465114 288367496 /nfs/dbraw/zinc/36/74/96/288367496.db2.gz ZFCHBZDIQKSMID-HLLBOEOZSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1COCC[C@H]1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000433465114 288367499 /nfs/dbraw/zinc/36/74/99/288367499.db2.gz ZFCHBZDIQKSMID-HLLBOEOZSA-N 2 2 338.496 1.221 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185193421 282066340 /nfs/dbraw/zinc/06/63/40/282066340.db2.gz HWBUROFOBGVNAV-UHFFFAOYSA-N 2 2 326.485 1.082 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000288277340 288447896 /nfs/dbraw/zinc/44/78/96/288447896.db2.gz VAKVDYGAZFFBJW-NSHDSACASA-N 2 2 343.431 1.456 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC(=O)CCc3[nH]cc[nH+]3)nc2)CC1 ZINC000288538200 288509948 /nfs/dbraw/zinc/50/99/48/288509948.db2.gz VQDVKAVULAOGGT-UHFFFAOYSA-N 2 2 342.447 1.906 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417011124 289187826 /nfs/dbraw/zinc/18/78/26/289187826.db2.gz RCCPKFXCZBYPSZ-GOSISDBHSA-N 2 2 334.439 1.388 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417011124 289187828 /nfs/dbraw/zinc/18/78/28/289187828.db2.gz RCCPKFXCZBYPSZ-GOSISDBHSA-N 2 2 334.439 1.388 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)cn2c1 ZINC000291836542 289192856 /nfs/dbraw/zinc/19/28/56/289192856.db2.gz GPVKLNRASWCREL-GOSISDBHSA-N 2 2 327.432 1.880 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)cn2c1 ZINC000291836542 289192858 /nfs/dbraw/zinc/19/28/58/289192858.db2.gz GPVKLNRASWCREL-GOSISDBHSA-N 2 2 327.432 1.880 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292106942 289263031 /nfs/dbraw/zinc/26/30/31/289263031.db2.gz IQLBSSBTZMPQOM-KUHUBIRLSA-N 2 2 344.459 1.401 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292106942 289263033 /nfs/dbraw/zinc/26/30/33/289263033.db2.gz IQLBSSBTZMPQOM-KUHUBIRLSA-N 2 2 344.459 1.401 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292106942 289263034 /nfs/dbraw/zinc/26/30/34/289263034.db2.gz IQLBSSBTZMPQOM-KUHUBIRLSA-N 2 2 344.459 1.401 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292106942 289263035 /nfs/dbraw/zinc/26/30/35/289263035.db2.gz IQLBSSBTZMPQOM-KUHUBIRLSA-N 2 2 344.459 1.401 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292251171 289298454 /nfs/dbraw/zinc/29/84/54/289298454.db2.gz XQNLBZWRYIVAFA-HXUWFJFHSA-N 2 2 345.487 1.942 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292251171 289298455 /nfs/dbraw/zinc/29/84/55/289298455.db2.gz XQNLBZWRYIVAFA-HXUWFJFHSA-N 2 2 345.487 1.942 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292251171 289298458 /nfs/dbraw/zinc/29/84/58/289298458.db2.gz XQNLBZWRYIVAFA-HXUWFJFHSA-N 2 2 345.487 1.942 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292251171 289298460 /nfs/dbraw/zinc/29/84/60/289298460.db2.gz XQNLBZWRYIVAFA-HXUWFJFHSA-N 2 2 345.487 1.942 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000366665485 289370562 /nfs/dbraw/zinc/37/05/62/289370562.db2.gz YZHWUSCXXSJTJQ-PMPSAXMXSA-N 2 2 341.521 1.183 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000292528445 289372904 /nfs/dbraw/zinc/37/29/04/289372904.db2.gz HPDSLXJSZHLLJK-HNNXBMFYSA-N 2 2 348.495 1.737 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000292528445 289372906 /nfs/dbraw/zinc/37/29/06/289372906.db2.gz HPDSLXJSZHLLJK-HNNXBMFYSA-N 2 2 348.495 1.737 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000292547714 289378271 /nfs/dbraw/zinc/37/82/71/289378271.db2.gz SIMPMIFTRWWDRT-MRXNPFEDSA-N 2 2 349.866 1.615 20 0 EDADLP C[C@H](CC(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000164800632 289423778 /nfs/dbraw/zinc/42/37/78/289423778.db2.gz LFBKMNCOEZVRMT-HUUCEWRRSA-N 2 2 327.432 1.909 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000356351033 297127110 /nfs/dbraw/zinc/12/71/10/297127110.db2.gz JWDJVDPWQGOHGH-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000356351033 297127111 /nfs/dbraw/zinc/12/71/11/297127111.db2.gz JWDJVDPWQGOHGH-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418598841 304516918 /nfs/dbraw/zinc/51/69/18/304516918.db2.gz QVEIEBOELGSDHX-RHSMWYFYSA-N 2 2 334.439 1.651 20 0 EDADLP CCC[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)[NH+](C)C ZINC000422008603 447306821 /nfs/dbraw/zinc/30/68/21/447306821.db2.gz AETSVZLAJBVYRJ-GOSISDBHSA-N 3 2 338.540 1.735 20 0 EDADLP CCC[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)[NH+](C)C ZINC000422008603 447306825 /nfs/dbraw/zinc/30/68/25/447306825.db2.gz AETSVZLAJBVYRJ-GOSISDBHSA-N 3 2 338.540 1.735 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]3(C)CCCOC3)CC2)CC1 ZINC000422011784 447307956 /nfs/dbraw/zinc/30/79/56/447307956.db2.gz CUGLJJXROJJKBK-LJQANCHMSA-N 2 2 337.508 1.822 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]3(C)CCCOC3)CC2)CC1 ZINC000422011784 447307960 /nfs/dbraw/zinc/30/79/60/447307960.db2.gz CUGLJJXROJJKBK-LJQANCHMSA-N 2 2 337.508 1.822 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157460799 298119207 /nfs/dbraw/zinc/11/92/07/298119207.db2.gz VMXGMFOPFWZIHQ-CABCVRRESA-N 2 2 338.496 1.950 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157460799 298119208 /nfs/dbraw/zinc/11/92/08/298119208.db2.gz VMXGMFOPFWZIHQ-CABCVRRESA-N 2 2 338.496 1.950 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000414899768 300271968 /nfs/dbraw/zinc/27/19/68/300271968.db2.gz HNCYDIHEBVSMFR-OFQRWUPVSA-N 2 2 332.448 1.861 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](OC)C(C)C)CC2)CC1 ZINC000422018729 447311421 /nfs/dbraw/zinc/31/14/21/447311421.db2.gz KOLCRUCYZMGPBW-QGZVFWFLSA-N 2 2 325.497 1.676 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](OC)C(C)C)CC2)CC1 ZINC000422018729 447311429 /nfs/dbraw/zinc/31/14/29/447311429.db2.gz KOLCRUCYZMGPBW-QGZVFWFLSA-N 2 2 325.497 1.676 20 0 EDADLP O=C1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]([C@@H]2CCCO2)N1 ZINC000377724020 447317671 /nfs/dbraw/zinc/31/76/71/447317671.db2.gz MAAFIYOYTAVURB-LNLFQRSKSA-N 2 2 340.427 1.788 20 0 EDADLP C[NH+](C)[C@H]1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000170828146 302940375 /nfs/dbraw/zinc/94/03/75/302940375.db2.gz RDGFBLFOJNUKPN-KRWDZBQOSA-N 2 2 341.459 1.819 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C\[C@@H]3CCOC3)CC2)CC1 ZINC000493421827 447326409 /nfs/dbraw/zinc/32/64/09/447326409.db2.gz MBYZFPDITWYPLV-VGOKWCNXSA-N 2 2 335.492 1.598 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C\[C@@H]3CCOC3)CC2)CC1 ZINC000493421827 447326414 /nfs/dbraw/zinc/32/64/14/447326414.db2.gz MBYZFPDITWYPLV-VGOKWCNXSA-N 2 2 335.492 1.598 20 0 EDADLP CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000293779042 303017497 /nfs/dbraw/zinc/01/74/97/303017497.db2.gz AVJZJVHNBNQPEX-CABCVRRESA-N 2 2 334.445 1.713 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000295153022 303181109 /nfs/dbraw/zinc/18/11/09/303181109.db2.gz JTOSTNOGPGIPDL-MAUKXSAKSA-N 2 2 332.492 1.385 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000295153022 303181110 /nfs/dbraw/zinc/18/11/10/303181110.db2.gz JTOSTNOGPGIPDL-MAUKXSAKSA-N 2 2 332.492 1.385 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccn1)c1ccccc1 ZINC000295182331 303184645 /nfs/dbraw/zinc/18/46/45/303184645.db2.gz PWEOMEGWCFPUDK-GOSISDBHSA-N 2 2 326.444 1.933 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000295248382 303194315 /nfs/dbraw/zinc/19/43/15/303194315.db2.gz UABARQGVUJPWMC-LSDHHAIUSA-N 2 2 339.505 1.968 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000295745956 303261428 /nfs/dbraw/zinc/26/14/28/303261428.db2.gz GRZGUOXSFGWMDC-CQSZACIVSA-N 2 2 329.404 1.060 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000295745956 303261430 /nfs/dbraw/zinc/26/14/30/303261430.db2.gz GRZGUOXSFGWMDC-CQSZACIVSA-N 2 2 329.404 1.060 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H](C)[NH2+]C3CC3)CC2)c1 ZINC000296418471 303315791 /nfs/dbraw/zinc/31/57/91/303315791.db2.gz MLWFVXXPEHWYAR-CQSZACIVSA-N 2 2 347.459 1.489 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664889582 453468046 /nfs/dbraw/zinc/46/80/46/453468046.db2.gz PHTDEPZOSSOZRC-XHSDSOJGSA-N 2 2 326.485 1.269 20 0 EDADLP c1nc(N2CCCC[C@H]([NH+]3CCCC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000302871767 303738813 /nfs/dbraw/zinc/73/88/13/303738813.db2.gz BUXVZFOTRQFALG-INIZCTEOSA-N 2 2 331.464 1.768 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1[NH+]1CCOCC1 ZINC000302870475 303739045 /nfs/dbraw/zinc/73/90/45/303739045.db2.gz BICCSVMWRGWWHB-HUUCEWRRSA-N 2 2 349.504 1.187 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)CC1 ZINC000377759313 447340455 /nfs/dbraw/zinc/34/04/55/447340455.db2.gz FYDGQRHFAPVKBB-LJQANCHMSA-N 2 2 340.471 1.683 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)CC1 ZINC000377759313 447340456 /nfs/dbraw/zinc/34/04/56/447340456.db2.gz FYDGQRHFAPVKBB-LJQANCHMSA-N 2 2 340.471 1.683 20 0 EDADLP COCCn1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cn1 ZINC000414887000 447343712 /nfs/dbraw/zinc/34/37/12/447343712.db2.gz QJBBTXOVTOUCCW-MOPGFXCFSA-N 2 2 344.459 1.773 20 0 EDADLP Cc1c(Cl)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nn1C ZINC000421327617 304799181 /nfs/dbraw/zinc/79/91/81/304799181.db2.gz JNZIPKFZRZJDJR-UHFFFAOYSA-N 2 2 326.872 1.926 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)N2CCOCC2)cc1 ZINC000422751918 304879939 /nfs/dbraw/zinc/87/99/39/304879939.db2.gz DGOOVPLHGNTMQB-IPELMVKDSA-N 2 2 333.476 1.656 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@H](O)COCC2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422971747 304881875 /nfs/dbraw/zinc/88/18/75/304881875.db2.gz JTDYQJPRECTNKR-WDSOQIARSA-N 2 2 334.460 1.865 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000423925154 304917594 /nfs/dbraw/zinc/91/75/94/304917594.db2.gz FDPRFCNYHRAZGT-JKSUJKDBSA-N 2 2 346.475 1.907 20 0 EDADLP COCCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC[NH+](C)CC1 ZINC000427778357 304996952 /nfs/dbraw/zinc/99/69/52/304996952.db2.gz LYHWSXDCDPNCOK-HNNXBMFYSA-N 2 2 334.464 1.405 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCCCSc1ccccc1 ZINC000428054894 305005865 /nfs/dbraw/zinc/00/58/65/305005865.db2.gz PKVGSMFQDBRUGN-DOTOQJQBSA-N 2 2 333.501 1.969 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCCCSc1ccccc1 ZINC000428054894 305005866 /nfs/dbraw/zinc/00/58/66/305005866.db2.gz PKVGSMFQDBRUGN-DOTOQJQBSA-N 2 2 333.501 1.969 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 ZINC000430589953 305057565 /nfs/dbraw/zinc/05/75/65/305057565.db2.gz GKIXWUMUQXFVDJ-INIZCTEOSA-N 2 2 348.838 1.576 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430645244 305060970 /nfs/dbraw/zinc/06/09/70/305060970.db2.gz ASAFRJPUJXSORK-UHFFFAOYSA-N 2 2 335.448 1.264 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430645244 305060971 /nfs/dbraw/zinc/06/09/71/305060971.db2.gz ASAFRJPUJXSORK-UHFFFAOYSA-N 2 2 335.448 1.264 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430667859 305061796 /nfs/dbraw/zinc/06/17/96/305061796.db2.gz QJNOGTXKGGCXGM-MRXNPFEDSA-N 2 2 349.475 1.594 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430667859 305061797 /nfs/dbraw/zinc/06/17/97/305061797.db2.gz QJNOGTXKGGCXGM-MRXNPFEDSA-N 2 2 349.475 1.594 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000430707623 305063087 /nfs/dbraw/zinc/06/30/87/305063087.db2.gz YFZMJFGGHLITKN-MSOLQXFVSA-N 2 2 331.460 1.174 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000430707623 305063088 /nfs/dbraw/zinc/06/30/88/305063088.db2.gz YFZMJFGGHLITKN-MSOLQXFVSA-N 2 2 331.460 1.174 20 0 EDADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000430875077 305066749 /nfs/dbraw/zinc/06/67/49/305066749.db2.gz KYWFRNGEDZJAFH-DLBZAZTESA-N 2 2 349.479 1.452 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430896306 305067212 /nfs/dbraw/zinc/06/72/12/305067212.db2.gz XINLKBJBIBNQIO-HNNXBMFYSA-N 2 2 344.459 1.441 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430896306 305067213 /nfs/dbraw/zinc/06/72/13/305067213.db2.gz XINLKBJBIBNQIO-HNNXBMFYSA-N 2 2 344.459 1.441 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430896307 305067229 /nfs/dbraw/zinc/06/72/29/305067229.db2.gz XINLKBJBIBNQIO-OAHLLOKOSA-N 2 2 344.459 1.441 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430896307 305067230 /nfs/dbraw/zinc/06/72/30/305067230.db2.gz XINLKBJBIBNQIO-OAHLLOKOSA-N 2 2 344.459 1.441 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430932783 305068902 /nfs/dbraw/zinc/06/89/02/305068902.db2.gz HFDCMLZXUQDZMT-HNNXBMFYSA-N 2 2 327.432 1.030 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430932783 305068903 /nfs/dbraw/zinc/06/89/03/305068903.db2.gz HFDCMLZXUQDZMT-HNNXBMFYSA-N 2 2 327.432 1.030 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430950734 305070282 /nfs/dbraw/zinc/07/02/82/305070282.db2.gz SBNPZRBQHOOGIC-WMLDXEAASA-N 2 2 346.475 1.776 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430950734 305070283 /nfs/dbraw/zinc/07/02/83/305070283.db2.gz SBNPZRBQHOOGIC-WMLDXEAASA-N 2 2 346.475 1.776 20 0 EDADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000430955209 305070763 /nfs/dbraw/zinc/07/07/63/305070763.db2.gz YUEFPAQCPUMLPB-AWEZNQCLSA-N 2 2 347.459 1.189 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000430964842 305071403 /nfs/dbraw/zinc/07/14/03/305071403.db2.gz GTCBBGUUCMZJPB-GFCCVEGCSA-N 2 2 330.457 1.950 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000430964842 305071404 /nfs/dbraw/zinc/07/14/04/305071404.db2.gz GTCBBGUUCMZJPB-GFCCVEGCSA-N 2 2 330.457 1.950 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000430964843 305071514 /nfs/dbraw/zinc/07/15/14/305071514.db2.gz GTCBBGUUCMZJPB-LBPRGKRZSA-N 2 2 330.457 1.950 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000430964843 305071515 /nfs/dbraw/zinc/07/15/15/305071515.db2.gz GTCBBGUUCMZJPB-LBPRGKRZSA-N 2 2 330.457 1.950 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC[C@@H]1[NH3+] ZINC000430974417 305071886 /nfs/dbraw/zinc/07/18/86/305071886.db2.gz ZHSVKGSCXGEXAT-ZBFHGGJFSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC[C@@H]1[NH3+] ZINC000430974417 305071887 /nfs/dbraw/zinc/07/18/87/305071887.db2.gz ZHSVKGSCXGEXAT-ZBFHGGJFSA-N 2 2 331.464 1.680 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CCCC2)no1 ZINC000431037399 305073430 /nfs/dbraw/zinc/07/34/30/305073430.db2.gz JOQJEKOXMMHAMG-CHWSQXEVSA-N 2 2 335.452 1.534 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431073849 305074227 /nfs/dbraw/zinc/07/42/27/305074227.db2.gz NBZOZQYTLHZODL-ZDUSSCGKSA-N 2 2 330.436 1.537 20 0 EDADLP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431083036 305074498 /nfs/dbraw/zinc/07/44/98/305074498.db2.gz XLVZPEMGFFJYBQ-LBPRGKRZSA-N 2 2 337.468 1.638 20 0 EDADLP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431083036 305074499 /nfs/dbraw/zinc/07/44/99/305074499.db2.gz XLVZPEMGFFJYBQ-LBPRGKRZSA-N 2 2 337.468 1.638 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432115231 305087388 /nfs/dbraw/zinc/08/73/88/305087388.db2.gz MEJMMAMMYFYSNC-INIZCTEOSA-N 2 2 348.491 1.942 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432115231 305087389 /nfs/dbraw/zinc/08/73/89/305087389.db2.gz MEJMMAMMYFYSNC-INIZCTEOSA-N 2 2 348.491 1.942 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000432123400 305087765 /nfs/dbraw/zinc/08/77/65/305087765.db2.gz BRMDKXPNJAUIEK-OAHLLOKOSA-N 2 2 336.436 1.246 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000432123400 305087766 /nfs/dbraw/zinc/08/77/66/305087766.db2.gz BRMDKXPNJAUIEK-OAHLLOKOSA-N 2 2 336.436 1.246 20 0 EDADLP c1ccc(NC[C@H]2CC[N@H+](Cc3nnnn3C3CCOCC3)C2)[nH+]c1 ZINC000433258393 305104086 /nfs/dbraw/zinc/10/40/86/305104086.db2.gz GJQYXJLOEONJHW-CQSZACIVSA-N 2 2 343.435 1.354 20 0 EDADLP c1ccc(NC[C@H]2CC[N@@H+](Cc3nnnn3C3CCOCC3)C2)[nH+]c1 ZINC000433258393 305104087 /nfs/dbraw/zinc/10/40/87/305104087.db2.gz GJQYXJLOEONJHW-CQSZACIVSA-N 2 2 343.435 1.354 20 0 EDADLP C[C@H]1COCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000433461759 305110158 /nfs/dbraw/zinc/11/01/58/305110158.db2.gz WKXFUYZDJDQSEM-GOEBONIOSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1COCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000433461759 305110159 /nfs/dbraw/zinc/11/01/59/305110159.db2.gz WKXFUYZDJDQSEM-GOEBONIOSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000433950500 305115727 /nfs/dbraw/zinc/11/57/27/305115727.db2.gz XNNLVVOBKVCXKE-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000434503882 305123644 /nfs/dbraw/zinc/12/36/44/305123644.db2.gz JOSLMUQNSKOGGL-ZIAGYGMSSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000434503882 305123645 /nfs/dbraw/zinc/12/36/45/305123645.db2.gz JOSLMUQNSKOGGL-ZIAGYGMSSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC000434503882 305123646 /nfs/dbraw/zinc/12/36/46/305123646.db2.gz JOSLMUQNSKOGGL-ZIAGYGMSSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC000434503882 305123647 /nfs/dbraw/zinc/12/36/47/305123647.db2.gz JOSLMUQNSKOGGL-ZIAGYGMSSA-N 2 2 336.505 1.872 20 0 EDADLP CCC[N@H+](C)CC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435572175 305142786 /nfs/dbraw/zinc/14/27/86/305142786.db2.gz CQBDWVMHKBIFFD-HNNXBMFYSA-N 3 2 333.480 1.233 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435572175 305142787 /nfs/dbraw/zinc/14/27/87/305142787.db2.gz CQBDWVMHKBIFFD-HNNXBMFYSA-N 3 2 333.480 1.233 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436249172 305154978 /nfs/dbraw/zinc/15/49/78/305154978.db2.gz ZRXLWPOZPVPQIS-AWEZNQCLSA-N 2 2 333.461 1.568 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436249172 305154979 /nfs/dbraw/zinc/15/49/79/305154979.db2.gz ZRXLWPOZPVPQIS-AWEZNQCLSA-N 2 2 333.461 1.568 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4ncsc4C3)cn2)CC1 ZINC000438366907 305185221 /nfs/dbraw/zinc/18/52/21/305185221.db2.gz SKJDOMUAQDBSIF-UHFFFAOYSA-N 2 2 330.461 1.243 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4ncsc4C3)cn2)CC1 ZINC000438366907 305185222 /nfs/dbraw/zinc/18/52/22/305185222.db2.gz SKJDOMUAQDBSIF-UHFFFAOYSA-N 2 2 330.461 1.243 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000441394651 305221989 /nfs/dbraw/zinc/22/19/89/305221989.db2.gz PIWCMDNPSFUTNW-LPHOPBHVSA-N 3 2 348.535 1.536 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000441394651 305221990 /nfs/dbraw/zinc/22/19/90/305221990.db2.gz PIWCMDNPSFUTNW-LPHOPBHVSA-N 3 2 348.535 1.536 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000441394651 305221991 /nfs/dbraw/zinc/22/19/91/305221991.db2.gz PIWCMDNPSFUTNW-LPHOPBHVSA-N 3 2 348.535 1.536 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000441394651 305221992 /nfs/dbraw/zinc/22/19/92/305221992.db2.gz PIWCMDNPSFUTNW-LPHOPBHVSA-N 3 2 348.535 1.536 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000442261881 305227572 /nfs/dbraw/zinc/22/75/72/305227572.db2.gz GFAVLGQBWKIGGA-UONOGXRCSA-N 2 2 341.415 1.362 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000442261881 305227573 /nfs/dbraw/zinc/22/75/73/305227573.db2.gz GFAVLGQBWKIGGA-UONOGXRCSA-N 2 2 341.415 1.362 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000447656200 305283530 /nfs/dbraw/zinc/28/35/30/305283530.db2.gz JSRASUZEAMODHM-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000447656200 305283531 /nfs/dbraw/zinc/28/35/31/305283531.db2.gz JSRASUZEAMODHM-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000447656200 305283532 /nfs/dbraw/zinc/28/35/32/305283532.db2.gz JSRASUZEAMODHM-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000447656200 305283533 /nfs/dbraw/zinc/28/35/33/305283533.db2.gz JSRASUZEAMODHM-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000447656362 305283642 /nfs/dbraw/zinc/28/36/42/305283642.db2.gz LDZXVBHVCOLFMV-UHFFFAOYSA-N 2 2 336.480 1.966 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000447656362 305283643 /nfs/dbraw/zinc/28/36/43/305283643.db2.gz LDZXVBHVCOLFMV-UHFFFAOYSA-N 2 2 336.480 1.966 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000447843628 305286854 /nfs/dbraw/zinc/28/68/54/305286854.db2.gz IEGXRISNPYGDPD-MRXNPFEDSA-N 2 2 341.459 1.754 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC000447843628 305286855 /nfs/dbraw/zinc/28/68/55/305286855.db2.gz IEGXRISNPYGDPD-MRXNPFEDSA-N 2 2 341.459 1.754 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCO[C@H](C(C)(C)C)C3)cn2)CC1 ZINC000448379618 305296360 /nfs/dbraw/zinc/29/63/60/305296360.db2.gz ZROMGAAJFNQHJQ-INIZCTEOSA-N 2 2 333.480 1.475 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCO[C@H](C(C)(C)C)C3)cn2)CC1 ZINC000448379618 305296361 /nfs/dbraw/zinc/29/63/61/305296361.db2.gz ZROMGAAJFNQHJQ-INIZCTEOSA-N 2 2 333.480 1.475 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)cn2)cc1 ZINC000449090890 305306175 /nfs/dbraw/zinc/30/61/75/305306175.db2.gz HZDGJFSGRYQKJB-GOSISDBHSA-N 2 2 344.459 1.817 20 0 EDADLP COc1cc(C)ccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000449318922 305311390 /nfs/dbraw/zinc/31/13/90/305311390.db2.gz XFLZNLLZYSUYDG-RDTXWAMCSA-N 2 2 328.416 1.847 20 0 EDADLP COc1cc(C)c(C[C@H](C)[NH2+]CC[NH+]2CCC(O)CC2)cc1OC ZINC000449653362 305316132 /nfs/dbraw/zinc/31/61/32/305316132.db2.gz SDSYVCLCAQSYJG-HNNXBMFYSA-N 2 2 336.476 1.990 20 0 EDADLP COc1cc(-c2noc(C[N@H+](C)CCCn3cc[nH+]c3C)n2)ncn1 ZINC000450601045 305330400 /nfs/dbraw/zinc/33/04/00/305330400.db2.gz OYMQYTDMUZEHNU-UHFFFAOYSA-N 2 2 343.391 1.562 20 0 EDADLP COc1cc(-c2noc(C[N@@H+](C)CCCn3cc[nH+]c3C)n2)ncn1 ZINC000450601045 305330401 /nfs/dbraw/zinc/33/04/01/305330401.db2.gz OYMQYTDMUZEHNU-UHFFFAOYSA-N 2 2 343.391 1.562 20 0 EDADLP CS[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000451322179 305338666 /nfs/dbraw/zinc/33/86/66/305338666.db2.gz FDHIJWYGUBOTHH-OAHLLOKOSA-N 2 2 339.530 1.830 20 0 EDADLP CS[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000451322179 305338667 /nfs/dbraw/zinc/33/86/67/305338667.db2.gz FDHIJWYGUBOTHH-OAHLLOKOSA-N 2 2 339.530 1.830 20 0 EDADLP CS[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451323517 305338874 /nfs/dbraw/zinc/33/88/74/305338874.db2.gz IPVKPVWWMRVABS-GJZGRUSLSA-N 2 2 334.489 1.556 20 0 EDADLP CS[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451323517 305338875 /nfs/dbraw/zinc/33/88/75/305338875.db2.gz IPVKPVWWMRVABS-GJZGRUSLSA-N 2 2 334.489 1.556 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOc3ccc(OC)cc3C2)CC1 ZINC000451640480 305358412 /nfs/dbraw/zinc/35/84/12/305358412.db2.gz DRMRQYFDPPLZEQ-OAHLLOKOSA-N 2 2 347.459 1.442 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOc3ccc(OC)cc3C2)CC1 ZINC000451640480 305358413 /nfs/dbraw/zinc/35/84/13/305358413.db2.gz DRMRQYFDPPLZEQ-OAHLLOKOSA-N 2 2 347.459 1.442 20 0 EDADLP CCCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451653402 305359585 /nfs/dbraw/zinc/35/95/85/305359585.db2.gz SDYKWYQWHBMKGS-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451653402 305359586 /nfs/dbraw/zinc/35/95/86/305359586.db2.gz SDYKWYQWHBMKGS-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000452349873 305391374 /nfs/dbraw/zinc/39/13/74/305391374.db2.gz NLAVIXKIUIYSPP-QGZVFWFLSA-N 2 2 328.416 1.449 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000452349873 305391375 /nfs/dbraw/zinc/39/13/75/305391375.db2.gz NLAVIXKIUIYSPP-QGZVFWFLSA-N 2 2 328.416 1.449 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414908269 447353295 /nfs/dbraw/zinc/35/32/95/447353295.db2.gz BEBXEACAVHACDI-ZFWWWQNUSA-N 2 2 335.448 1.298 20 0 EDADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000494913665 305633690 /nfs/dbraw/zinc/63/36/90/305633690.db2.gz ZSRKRFSNJVVHKH-AWEZNQCLSA-N 2 2 325.522 1.995 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)CCO1 ZINC000425915929 447359563 /nfs/dbraw/zinc/35/95/63/447359563.db2.gz ATKNSLNAXDCPAU-OFLPRAFFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)CCO1 ZINC000425915929 447359571 /nfs/dbraw/zinc/35/95/71/447359571.db2.gz ATKNSLNAXDCPAU-OFLPRAFFSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000377801936 447363121 /nfs/dbraw/zinc/36/31/21/447363121.db2.gz CWRJSIZHIFVXDZ-ROUUACIJSA-N 2 2 331.460 1.671 20 0 EDADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000530519016 305941834 /nfs/dbraw/zinc/94/18/34/305941834.db2.gz WRIJQLLSFOTCLO-GOEBONIOSA-N 2 2 342.447 1.312 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC(n4cc[nH+]c4)C3)cc2)CC1 ZINC000531062927 305952263 /nfs/dbraw/zinc/95/22/63/305952263.db2.gz SMKFUIXOSQBBPY-UHFFFAOYSA-N 2 2 339.443 1.328 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000532212495 305976602 /nfs/dbraw/zinc/97/66/02/305976602.db2.gz QGGZGANCTNBYGO-AWEZNQCLSA-N 2 2 336.461 1.922 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000533543561 306000691 /nfs/dbraw/zinc/00/06/91/306000691.db2.gz IJBXQZAIJRMSTP-UHFFFAOYSA-N 2 2 328.420 1.513 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580038 306008202 /nfs/dbraw/zinc/00/82/02/306008202.db2.gz NFINRDDCNXLKJT-CYBMUJFWSA-N 2 2 342.399 1.635 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580038 306008203 /nfs/dbraw/zinc/00/82/03/306008203.db2.gz NFINRDDCNXLKJT-CYBMUJFWSA-N 2 2 342.399 1.635 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cn1c[nH+]c3c1CCCC3)CCC2 ZINC000543692549 306066771 /nfs/dbraw/zinc/06/67/71/306066771.db2.gz JXUXNKGPFCKYGP-CQSZACIVSA-N 2 2 327.432 1.961 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000544366323 306074511 /nfs/dbraw/zinc/07/45/11/306074511.db2.gz PCGNKXFYLWDAQI-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP C[N@H+](CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000546015770 306089803 /nfs/dbraw/zinc/08/98/03/306089803.db2.gz QPZUWPYRFBHFNX-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP C[N@@H+](CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000546015770 306089804 /nfs/dbraw/zinc/08/98/04/306089804.db2.gz QPZUWPYRFBHFNX-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000547628456 306105653 /nfs/dbraw/zinc/10/56/53/306105653.db2.gz RFCNGBYLZNRVGW-OWCLPIDISA-N 2 2 347.463 1.141 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547654656 306106750 /nfs/dbraw/zinc/10/67/50/306106750.db2.gz VSPXYZQHZXJWQZ-TZMCWYRMSA-N 2 2 334.445 1.457 20 0 EDADLP Cc1c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(=O)n(-c2ccccc2)n1C ZINC000547660518 306106836 /nfs/dbraw/zinc/10/68/36/306106836.db2.gz FIOOIXZBJNKYHA-OAHLLOKOSA-N 2 2 337.427 1.786 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H]2CCC23CCOCC3)C1=O ZINC000548856852 306140001 /nfs/dbraw/zinc/14/00/01/306140001.db2.gz YWRFVEXMOPTTEY-HUUCEWRRSA-N 2 2 332.448 1.460 20 0 EDADLP Cn1cc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2=O)cn1 ZINC000556948065 306221653 /nfs/dbraw/zinc/22/16/53/306221653.db2.gz SVEMCMRMBXWGAY-NJAFHUGGSA-N 2 2 339.443 1.608 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)[C@@H](C[NH3+])C1 ZINC000556964657 306222033 /nfs/dbraw/zinc/22/20/33/306222033.db2.gz JPGWMQHSXYBRIB-ZDUSSCGKSA-N 2 2 329.404 1.812 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)[C@@H](C[NH3+])C1 ZINC000556964657 306222034 /nfs/dbraw/zinc/22/20/34/306222034.db2.gz JPGWMQHSXYBRIB-ZDUSSCGKSA-N 2 2 329.404 1.812 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000557134185 306224764 /nfs/dbraw/zinc/22/47/64/306224764.db2.gz LPZJSLGCZNDKIW-QGZVFWFLSA-N 2 2 332.448 1.070 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCC2([NH3+])CCC2)([NH+]2CCCCC2)CC1 ZINC000557169763 306225486 /nfs/dbraw/zinc/22/54/86/306225486.db2.gz SKUZOMMJPKIBSX-UHFFFAOYSA-N 3 2 337.512 1.117 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@H](C)[NH+]2CC(C)C2)[NH+]2CCOCC2)c1 ZINC000557523148 306229082 /nfs/dbraw/zinc/22/90/82/306229082.db2.gz JBNQUQWFEMBBBH-PKOBYXMFSA-N 2 2 345.487 1.825 20 0 EDADLP C[NH+]1CCC(CNC(=O)C23CCC[NH+]2CCC3)([NH+]2CCCCC2)CC1 ZINC000377904994 447388153 /nfs/dbraw/zinc/38/81/53/447388153.db2.gz HUIQHIQOEYQZEH-UHFFFAOYSA-N 3 2 348.535 1.681 20 0 EDADLP Cc1ccc(C)c(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657092127 453674557 /nfs/dbraw/zinc/67/45/57/453674557.db2.gz CQOFBHNZQUHEOL-UHFFFAOYSA-N 2 2 327.494 1.465 20 0 EDADLP Cc1ccc(C)c(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000657092127 453674560 /nfs/dbraw/zinc/67/45/60/453674560.db2.gz CQOFBHNZQUHEOL-UHFFFAOYSA-N 2 2 327.494 1.465 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000493829551 447402878 /nfs/dbraw/zinc/40/28/78/447402878.db2.gz XCENDFGFJQEMPJ-HQQUCIOCSA-N 2 2 340.427 1.722 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000493829551 447402882 /nfs/dbraw/zinc/40/28/82/447402882.db2.gz XCENDFGFJQEMPJ-HQQUCIOCSA-N 2 2 340.427 1.722 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000493894173 447417169 /nfs/dbraw/zinc/41/71/69/447417169.db2.gz LXOMBETVBTUYAX-ZWKOTPCHSA-N 2 2 345.487 1.913 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000493894173 447417175 /nfs/dbraw/zinc/41/71/75/447417175.db2.gz LXOMBETVBTUYAX-ZWKOTPCHSA-N 2 2 345.487 1.913 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415423982 447423991 /nfs/dbraw/zinc/42/39/91/447423991.db2.gz HESMTVYKSVEKRE-HNNXBMFYSA-N 2 2 343.431 1.515 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C3CC3)CC2)cn1 ZINC000426378273 447428526 /nfs/dbraw/zinc/42/85/26/447428526.db2.gz KVLGYWMFIRNOPA-GOSISDBHSA-N 2 2 345.491 1.564 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C3CC3)CC2)cn1 ZINC000426378273 447428531 /nfs/dbraw/zinc/42/85/31/447428531.db2.gz KVLGYWMFIRNOPA-GOSISDBHSA-N 2 2 345.491 1.564 20 0 EDADLP CCn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)cn1 ZINC000426378273 447428535 /nfs/dbraw/zinc/42/85/35/447428535.db2.gz KVLGYWMFIRNOPA-GOSISDBHSA-N 2 2 345.491 1.564 20 0 EDADLP CCn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)cn1 ZINC000426378273 447428543 /nfs/dbraw/zinc/42/85/43/447428543.db2.gz KVLGYWMFIRNOPA-GOSISDBHSA-N 2 2 345.491 1.564 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000044292249 440831456 /nfs/dbraw/zinc/83/14/56/440831456.db2.gz GOLSNJXCMBBGJO-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP O=C(NCCC[NH+]1CCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045121385 440951954 /nfs/dbraw/zinc/95/19/54/440951954.db2.gz VOECZFRUMVCYGE-UHFFFAOYSA-N 2 2 331.464 1.836 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000046098510 441081978 /nfs/dbraw/zinc/08/19/78/441081978.db2.gz MWYXDXJEHXSQMM-UHFFFAOYSA-N 2 2 344.463 1.997 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000070968218 441130567 /nfs/dbraw/zinc/13/05/67/441130567.db2.gz SRLDSYDMRMASAO-CYBMUJFWSA-N 2 2 344.419 1.052 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000057818128 441136600 /nfs/dbraw/zinc/13/66/00/441136600.db2.gz ONKNDDTZKKPLPA-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000057818128 441136603 /nfs/dbraw/zinc/13/66/03/441136603.db2.gz ONKNDDTZKKPLPA-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105089972 441232218 /nfs/dbraw/zinc/23/22/18/441232218.db2.gz RYNGJMQTGBDWBH-HOTGVXAUSA-N 2 2 348.491 1.657 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000081584804 441293981 /nfs/dbraw/zinc/29/39/81/441293981.db2.gz HJKNGOVFGLUMNQ-INIZCTEOSA-N 2 2 339.505 1.629 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000081584804 441293983 /nfs/dbraw/zinc/29/39/83/441293983.db2.gz HJKNGOVFGLUMNQ-INIZCTEOSA-N 2 2 339.505 1.629 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000081584804 441293984 /nfs/dbraw/zinc/29/39/84/441293984.db2.gz HJKNGOVFGLUMNQ-INIZCTEOSA-N 2 2 339.505 1.629 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000081584804 441293986 /nfs/dbraw/zinc/29/39/86/441293986.db2.gz HJKNGOVFGLUMNQ-INIZCTEOSA-N 2 2 339.505 1.629 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC000106907393 441387699 /nfs/dbraw/zinc/38/76/99/441387699.db2.gz QGFVQOGEYIZWJR-KRWDZBQOSA-N 2 2 346.475 1.016 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107873035 441432510 /nfs/dbraw/zinc/43/25/10/441432510.db2.gz PGKLURUHMIPPSE-CQSZACIVSA-N 2 2 346.431 1.506 20 0 EDADLP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066482816 441536565 /nfs/dbraw/zinc/53/65/65/441536565.db2.gz ZJBOBQFDRRNQJY-SOLBZPMBSA-N 2 2 327.513 1.261 20 0 EDADLP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066482816 441536570 /nfs/dbraw/zinc/53/65/70/441536570.db2.gz ZJBOBQFDRRNQJY-SOLBZPMBSA-N 2 2 327.513 1.261 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066482816 441536574 /nfs/dbraw/zinc/53/65/74/441536574.db2.gz ZJBOBQFDRRNQJY-SOLBZPMBSA-N 2 2 327.513 1.261 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066482816 441536578 /nfs/dbraw/zinc/53/65/78/441536578.db2.gz ZJBOBQFDRRNQJY-SOLBZPMBSA-N 2 2 327.513 1.261 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000076001343 441576490 /nfs/dbraw/zinc/57/64/90/441576490.db2.gz NHNWLMUGARJOMR-AWEZNQCLSA-N 2 2 336.436 1.269 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000076001343 441576493 /nfs/dbraw/zinc/57/64/93/441576493.db2.gz NHNWLMUGARJOMR-AWEZNQCLSA-N 2 2 336.436 1.269 20 0 EDADLP CC[C@@H](CSC)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000091098207 441660364 /nfs/dbraw/zinc/66/03/64/441660364.db2.gz ZSBIYQSRVNJLBB-AWEZNQCLSA-N 2 2 331.526 1.287 20 0 EDADLP CC[C@@H](CSC)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000091098207 441660368 /nfs/dbraw/zinc/66/03/68/441660368.db2.gz ZSBIYQSRVNJLBB-AWEZNQCLSA-N 2 2 331.526 1.287 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000114477913 441661772 /nfs/dbraw/zinc/66/17/72/441661772.db2.gz XIRUTNBYVLZUSM-ZDUSSCGKSA-N 2 2 325.403 1.507 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000114477913 441661780 /nfs/dbraw/zinc/66/17/80/441661780.db2.gz XIRUTNBYVLZUSM-ZDUSSCGKSA-N 2 2 325.403 1.507 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477561 441662296 /nfs/dbraw/zinc/66/22/96/441662296.db2.gz XEWJOIKSZSZGCJ-CHWSQXEVSA-N 2 2 336.411 1.746 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477561 441662298 /nfs/dbraw/zinc/66/22/98/441662298.db2.gz XEWJOIKSZSZGCJ-CHWSQXEVSA-N 2 2 336.411 1.746 20 0 EDADLP C[N@H+](CCN1CC[NH+](C[C@@H](O)C(F)(F)F)CC1)Cc1ccccc1 ZINC000158224486 441708651 /nfs/dbraw/zinc/70/86/51/441708651.db2.gz WMILQENDRHGIBO-MRXNPFEDSA-N 2 2 345.409 1.659 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C[NH+]1CCCC1 ZINC000158625576 441751156 /nfs/dbraw/zinc/75/11/56/441751156.db2.gz RUJJYQHPDORKMN-DOTOQJQBSA-N 2 2 332.448 1.976 20 0 EDADLP C[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000137720625 441777565 /nfs/dbraw/zinc/77/75/65/441777565.db2.gz DBPWNBNQCMJVHL-QQFBHYJXSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NCCC[NH+](C)C)[NH+]2CCOCC2)c1 ZINC000042922102 441798744 /nfs/dbraw/zinc/79/87/44/441798744.db2.gz PAQZOLQFIUNURQ-GOSISDBHSA-N 2 2 348.491 1.619 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[N@H+](C)C1CC1 ZINC000138949747 441800688 /nfs/dbraw/zinc/80/06/88/441800688.db2.gz JXSQLWYTMVIEGJ-GJZGRUSLSA-N 2 2 333.480 1.867 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000173639566 441812261 /nfs/dbraw/zinc/81/22/61/441812261.db2.gz RDCSVHMACQZCQM-QGZVFWFLSA-N 2 2 347.503 1.743 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000122668489 441859051 /nfs/dbraw/zinc/85/90/51/441859051.db2.gz PHJGWZNJOUGRFH-SFHVURJKSA-N 2 2 342.443 1.681 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000122668489 441859057 /nfs/dbraw/zinc/85/90/57/441859057.db2.gz PHJGWZNJOUGRFH-SFHVURJKSA-N 2 2 342.443 1.681 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000068637414 441833837 /nfs/dbraw/zinc/83/38/37/441833837.db2.gz HHPFCUMBDDNHPZ-UHFFFAOYSA-N 2 2 330.476 1.985 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(-n3cccn3)nc(N)[nH+]2)cn1 ZINC000092891539 441836525 /nfs/dbraw/zinc/83/65/25/441836525.db2.gz QVXHSVLEBWVHEW-UHFFFAOYSA-N 2 2 347.386 1.746 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124429954 441925884 /nfs/dbraw/zinc/92/58/84/441925884.db2.gz ZMSIGSPMYTYNFL-GJZGRUSLSA-N 2 2 335.452 1.610 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124429954 441925886 /nfs/dbraw/zinc/92/58/86/441925886.db2.gz ZMSIGSPMYTYNFL-GJZGRUSLSA-N 2 2 335.452 1.610 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000125024917 441977059 /nfs/dbraw/zinc/97/70/59/441977059.db2.gz IUGIJTWVXSCOCY-KRWDZBQOSA-N 2 2 333.451 1.997 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000125024917 441977065 /nfs/dbraw/zinc/97/70/65/441977065.db2.gz IUGIJTWVXSCOCY-KRWDZBQOSA-N 2 2 333.451 1.997 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000174771735 441966423 /nfs/dbraw/zinc/96/64/23/441966423.db2.gz XKDVZZBHQHRNMF-IAGOWNOFSA-N 2 2 327.513 1.827 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000174771735 441966427 /nfs/dbraw/zinc/96/64/27/441966427.db2.gz XKDVZZBHQHRNMF-IAGOWNOFSA-N 2 2 327.513 1.827 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000174771735 441966430 /nfs/dbraw/zinc/96/64/30/441966430.db2.gz XKDVZZBHQHRNMF-IAGOWNOFSA-N 2 2 327.513 1.827 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000174771735 441966434 /nfs/dbraw/zinc/96/64/34/441966434.db2.gz XKDVZZBHQHRNMF-IAGOWNOFSA-N 2 2 327.513 1.827 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000175268675 442029970 /nfs/dbraw/zinc/02/99/70/442029970.db2.gz VDLUESNWCNWQGF-UHFFFAOYSA-N 2 2 330.436 1.798 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000175268675 442029976 /nfs/dbraw/zinc/02/99/76/442029976.db2.gz VDLUESNWCNWQGF-UHFFFAOYSA-N 2 2 330.436 1.798 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)[C@H](C[NH3+])C1 ZINC000162398864 442089976 /nfs/dbraw/zinc/08/99/76/442089976.db2.gz AYGFKJYXPDUJSF-CYBMUJFWSA-N 2 2 346.406 1.515 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)[C@H](C[NH3+])C1 ZINC000162398864 442089980 /nfs/dbraw/zinc/08/99/80/442089980.db2.gz AYGFKJYXPDUJSF-CYBMUJFWSA-N 2 2 346.406 1.515 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCCCO1 ZINC000125964331 442065627 /nfs/dbraw/zinc/06/56/27/442065627.db2.gz RLQWYVGALZTUAM-MRXNPFEDSA-N 2 2 335.448 1.425 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCCCO1 ZINC000125964331 442065632 /nfs/dbraw/zinc/06/56/32/442065632.db2.gz RLQWYVGALZTUAM-MRXNPFEDSA-N 2 2 335.448 1.425 20 0 EDADLP Cc1noc(C)c1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175745484 442115316 /nfs/dbraw/zinc/11/53/16/442115316.db2.gz BTJGKCYHWSBAEB-UHFFFAOYSA-N 2 2 337.468 1.159 20 0 EDADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162754366 442119861 /nfs/dbraw/zinc/11/98/61/442119861.db2.gz RPUVLWQVQZOZDN-QZTJIDSGSA-N 2 2 349.450 1.406 20 0 EDADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162754366 442119865 /nfs/dbraw/zinc/11/98/65/442119865.db2.gz RPUVLWQVQZOZDN-QZTJIDSGSA-N 2 2 349.450 1.406 20 0 EDADLP Cc1c(/C=C/C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cnn1C ZINC000121060080 442171328 /nfs/dbraw/zinc/17/13/28/442171328.db2.gz CFRMMYPVZCHFOS-VOTSOKGWSA-N 2 2 333.480 1.226 20 0 EDADLP Cc1c(/C=C/C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cnn1C ZINC000121060080 442171331 /nfs/dbraw/zinc/17/13/31/442171331.db2.gz CFRMMYPVZCHFOS-VOTSOKGWSA-N 2 2 333.480 1.226 20 0 EDADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121136616 442181635 /nfs/dbraw/zinc/18/16/35/442181635.db2.gz NRCUIIHWFDNLKE-AWEZNQCLSA-N 2 2 336.461 1.874 20 0 EDADLP CC(C)[N@H+]1C[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000176625507 442241548 /nfs/dbraw/zinc/24/15/48/442241548.db2.gz PJKRRHLGCHVKOQ-GJZGRUSLSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@@H+]1C[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000176625507 442241551 /nfs/dbraw/zinc/24/15/51/442241551.db2.gz PJKRRHLGCHVKOQ-GJZGRUSLSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[NH+]1C[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000176625507 442241553 /nfs/dbraw/zinc/24/15/53/442241553.db2.gz PJKRRHLGCHVKOQ-GJZGRUSLSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[NH+]1C[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000176625507 442241556 /nfs/dbraw/zinc/24/15/56/442241556.db2.gz PJKRRHLGCHVKOQ-GJZGRUSLSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@@H](c1cccnc1)N1C(=O)C[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000128559697 442274192 /nfs/dbraw/zinc/27/41/92/442274192.db2.gz QLWCVGDCISBJKS-HOCLYGCPSA-N 2 2 341.415 1.489 20 0 EDADLP C[C@@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000128559697 442274195 /nfs/dbraw/zinc/27/41/95/442274195.db2.gz QLWCVGDCISBJKS-HOCLYGCPSA-N 2 2 341.415 1.489 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000128717502 442284319 /nfs/dbraw/zinc/28/43/19/442284319.db2.gz WZVSSIQASJFWGB-IRXDYDNUSA-N 3 2 345.491 1.050 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000128717502 442284320 /nfs/dbraw/zinc/28/43/20/442284320.db2.gz WZVSSIQASJFWGB-IRXDYDNUSA-N 3 2 345.491 1.050 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000129732030 442329678 /nfs/dbraw/zinc/32/96/78/442329678.db2.gz RYMXNPFQGXMQSK-RDJZCZTQSA-N 2 2 340.427 1.765 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000129732030 442329681 /nfs/dbraw/zinc/32/96/81/442329681.db2.gz RYMXNPFQGXMQSK-RDJZCZTQSA-N 2 2 340.427 1.765 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCO1 ZINC000171365708 442343634 /nfs/dbraw/zinc/34/36/34/442343634.db2.gz OKUHIHNMKKUHDX-UHFFFAOYSA-N 2 2 335.452 1.340 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCO1 ZINC000171365708 442343635 /nfs/dbraw/zinc/34/36/35/442343635.db2.gz OKUHIHNMKKUHDX-UHFFFAOYSA-N 2 2 335.452 1.340 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000177486276 442348710 /nfs/dbraw/zinc/34/87/10/442348710.db2.gz LEKGPYWUWKCSHI-KRWDZBQOSA-N 2 2 349.479 1.558 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC000177214631 442314556 /nfs/dbraw/zinc/31/45/56/442314556.db2.gz YSMFBWWAQMDROR-AWEZNQCLSA-N 2 2 335.448 1.385 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC000177214631 442314558 /nfs/dbraw/zinc/31/45/58/442314558.db2.gz YSMFBWWAQMDROR-AWEZNQCLSA-N 2 2 335.448 1.385 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129460152 442317318 /nfs/dbraw/zinc/31/73/18/442317318.db2.gz CQKKSLCGKREPQS-IEBWSBKVSA-N 2 2 345.487 1.388 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129460152 442317322 /nfs/dbraw/zinc/31/73/22/442317322.db2.gz CQKKSLCGKREPQS-IEBWSBKVSA-N 2 2 345.487 1.388 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC[N@@H+]1CCOC ZINC000131020316 442362169 /nfs/dbraw/zinc/36/21/69/442362169.db2.gz DONPICISJNKGRJ-CVEARBPZSA-N 2 2 343.537 1.383 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC[N@H+]1CCOC ZINC000131020316 442362172 /nfs/dbraw/zinc/36/21/72/442362172.db2.gz DONPICISJNKGRJ-CVEARBPZSA-N 2 2 343.537 1.383 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000133611730 442426132 /nfs/dbraw/zinc/42/61/32/442426132.db2.gz NCWGPSFZPIBMFI-QZTJIDSGSA-N 3 2 346.523 1.309 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000133611730 442426134 /nfs/dbraw/zinc/42/61/34/442426134.db2.gz NCWGPSFZPIBMFI-QZTJIDSGSA-N 3 2 346.523 1.309 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000178461304 442435586 /nfs/dbraw/zinc/43/55/86/442435586.db2.gz PAIJYIKIVVZFIU-IAGOWNOFSA-N 2 2 349.479 1.340 20 0 EDADLP C[C@@H]1CC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156509270 442488458 /nfs/dbraw/zinc/48/84/58/442488458.db2.gz BDLPOEZXESKIMZ-CABCVRRESA-N 2 2 345.447 1.631 20 0 EDADLP C[C@@H]1CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156509270 442488461 /nfs/dbraw/zinc/48/84/61/442488461.db2.gz BDLPOEZXESKIMZ-CABCVRRESA-N 2 2 345.447 1.631 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H](C)C[NH+]3CCOCC3)cn21 ZINC000172587279 442496181 /nfs/dbraw/zinc/49/61/81/442496181.db2.gz VJEPRNOTKXJIFU-AWEZNQCLSA-N 2 2 345.447 1.410 20 0 EDADLP CSCC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000172432272 442460246 /nfs/dbraw/zinc/46/02/46/442460246.db2.gz LLZKDPAEUKCNIL-HNNXBMFYSA-N 2 2 339.505 1.997 20 0 EDADLP CSCC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000172432272 442460249 /nfs/dbraw/zinc/46/02/49/442460249.db2.gz LLZKDPAEUKCNIL-HNNXBMFYSA-N 2 2 339.505 1.997 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000156411598 442477526 /nfs/dbraw/zinc/47/75/26/442477526.db2.gz QEOHHHNWNFLYFP-ZFWWWQNUSA-N 2 2 345.403 1.385 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000156411598 442477529 /nfs/dbraw/zinc/47/75/29/442477529.db2.gz QEOHHHNWNFLYFP-ZFWWWQNUSA-N 2 2 345.403 1.385 20 0 EDADLP CN(C(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000135100221 442555505 /nfs/dbraw/zinc/55/55/05/442555505.db2.gz GKFSHYXDYNTAJR-QGZVFWFLSA-N 2 2 331.460 1.694 20 0 EDADLP CN(C(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000135100221 442555509 /nfs/dbraw/zinc/55/55/09/442555509.db2.gz GKFSHYXDYNTAJR-QGZVFWFLSA-N 2 2 331.460 1.694 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000172722074 442525594 /nfs/dbraw/zinc/52/55/94/442525594.db2.gz UQNXIUBTVZGXPE-INIZCTEOSA-N 2 2 335.473 1.505 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000172722074 442525598 /nfs/dbraw/zinc/52/55/98/442525598.db2.gz UQNXIUBTVZGXPE-INIZCTEOSA-N 2 2 335.473 1.505 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000192063736 442583502 /nfs/dbraw/zinc/58/35/02/442583502.db2.gz MUOYTWCIKWVIAG-IBGZPJMESA-N 2 2 344.459 1.306 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000192063736 442583505 /nfs/dbraw/zinc/58/35/05/442583505.db2.gz MUOYTWCIKWVIAG-IBGZPJMESA-N 2 2 344.459 1.306 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180356207 442586116 /nfs/dbraw/zinc/58/61/16/442586116.db2.gz NCAJBOPGSGNTCM-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180356207 442586117 /nfs/dbraw/zinc/58/61/17/442586117.db2.gz NCAJBOPGSGNTCM-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000180384115 442591151 /nfs/dbraw/zinc/59/11/51/442591151.db2.gz ZOCCAFYMSSVEMB-JKSUJKDBSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000180384115 442591154 /nfs/dbraw/zinc/59/11/54/442591154.db2.gz ZOCCAFYMSSVEMB-JKSUJKDBSA-N 2 2 339.480 1.347 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC000135912561 442640605 /nfs/dbraw/zinc/64/06/05/442640605.db2.gz OFAGJLNXQXCICC-IAGOWNOFSA-N 2 2 326.444 1.735 20 0 EDADLP CC1CC[NH+](CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000136202201 442655829 /nfs/dbraw/zinc/65/58/29/442655829.db2.gz BJLDXCAVGWKVCY-KRWDZBQOSA-N 2 2 341.521 1.042 20 0 EDADLP C[C@@H](c1cccnc1)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179297659 442615563 /nfs/dbraw/zinc/61/55/63/442615563.db2.gz GSSJZHBCAAELGM-HNNXBMFYSA-N 2 2 333.480 1.810 20 0 EDADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000181037100 442676803 /nfs/dbraw/zinc/67/68/03/442676803.db2.gz VWGJDEDKIWZQDQ-LSDHHAIUSA-N 2 2 335.448 1.426 20 0 EDADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000181035598 442677001 /nfs/dbraw/zinc/67/70/01/442677001.db2.gz YIIMXKKDLDHNRB-GJZGRUSLSA-N 2 2 337.489 1.640 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH+]ccc3N)c[nH+]2)CCO1 ZINC000188064099 442707244 /nfs/dbraw/zinc/70/72/44/442707244.db2.gz MVHCXLAIODMACN-GFCCVEGCSA-N 2 2 327.388 1.214 20 0 EDADLP CC[C@H](C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1)[NH+](C)C ZINC000181361362 442692330 /nfs/dbraw/zinc/69/23/30/442692330.db2.gz IMYFLOQBPHBZBR-GOSISDBHSA-N 2 2 346.475 1.629 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000187904701 442697308 /nfs/dbraw/zinc/69/73/08/442697308.db2.gz KYJUAAANNGACRL-JKSUJKDBSA-N 2 2 332.448 1.311 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccnn1C ZINC000192649614 442672377 /nfs/dbraw/zinc/67/23/77/442672377.db2.gz HYSNFORFUWARHE-OAHLLOKOSA-N 2 2 329.452 1.073 20 0 EDADLP CC[C@@H](C)NC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188329539 442740119 /nfs/dbraw/zinc/74/01/19/442740119.db2.gz OFADWHAOQJYDQV-VQIMIIECSA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@@H](C)NC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188329539 442740122 /nfs/dbraw/zinc/74/01/22/442740122.db2.gz OFADWHAOQJYDQV-VQIMIIECSA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188329539 442740124 /nfs/dbraw/zinc/74/01/24/442740124.db2.gz OFADWHAOQJYDQV-VQIMIIECSA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188329539 442740126 /nfs/dbraw/zinc/74/01/26/442740126.db2.gz OFADWHAOQJYDQV-VQIMIIECSA-N 2 2 333.476 1.470 20 0 EDADLP C[N@H+](CC(=O)NC1CCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188328963 442740181 /nfs/dbraw/zinc/74/01/81/442740181.db2.gz RMZBHHKDDVSABY-FQEVSTJZSA-N 2 2 345.487 1.614 20 0 EDADLP C[N@@H+](CC(=O)NC1CCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188328963 442740182 /nfs/dbraw/zinc/74/01/82/442740182.db2.gz RMZBHHKDDVSABY-FQEVSTJZSA-N 2 2 345.487 1.614 20 0 EDADLP C[NH+](CC(=O)NC1CCCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188328963 442740184 /nfs/dbraw/zinc/74/01/84/442740184.db2.gz RMZBHHKDDVSABY-FQEVSTJZSA-N 2 2 345.487 1.614 20 0 EDADLP C[NH+](CC(=O)NC1CCCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188328963 442740186 /nfs/dbraw/zinc/74/01/86/442740186.db2.gz RMZBHHKDDVSABY-FQEVSTJZSA-N 2 2 345.487 1.614 20 0 EDADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000182292660 442754350 /nfs/dbraw/zinc/75/43/50/442754350.db2.gz ICPGHDHJDRRKHP-IAGOWNOFSA-N 2 2 346.475 1.668 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000193120244 442715196 /nfs/dbraw/zinc/71/51/96/442715196.db2.gz DWMZQQFHHLWMIZ-HOTGVXAUSA-N 2 2 332.448 1.277 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188704852 442792005 /nfs/dbraw/zinc/79/20/05/442792005.db2.gz NRKDZTJWNUWQQY-AWEZNQCLSA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188704852 442792008 /nfs/dbraw/zinc/79/20/08/442792008.db2.gz NRKDZTJWNUWQQY-AWEZNQCLSA-N 2 2 344.459 1.648 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193841624 442796593 /nfs/dbraw/zinc/79/65/93/442796593.db2.gz ABZHTDIVVGKRGL-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000246340260 442774192 /nfs/dbraw/zinc/77/41/92/442774192.db2.gz OIVVZVRDDSMBQS-WCVJEAGWSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000246427376 442781388 /nfs/dbraw/zinc/78/13/88/442781388.db2.gz MJROLWRCDTYJFK-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000246427376 442781392 /nfs/dbraw/zinc/78/13/92/442781392.db2.gz MJROLWRCDTYJFK-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000248111858 442881763 /nfs/dbraw/zinc/88/17/63/442881763.db2.gz HKZCBKGPORHUSW-LSDHHAIUSA-N 2 2 326.404 1.361 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000248111858 442881764 /nfs/dbraw/zinc/88/17/64/442881764.db2.gz HKZCBKGPORHUSW-LSDHHAIUSA-N 2 2 326.404 1.361 20 0 EDADLP CCC[C@H](C)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000180356264 318467674 /nfs/dbraw/zinc/46/76/74/318467674.db2.gz PVPMMTFHMACWFT-INIZCTEOSA-N 2 2 333.480 1.871 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCNC(=O)[C@@H]3C)c2cc1C ZINC000189330453 442922177 /nfs/dbraw/zinc/92/21/77/442922177.db2.gz HIMINLJLAYJOOU-LSDHHAIUSA-N 2 2 330.432 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCNC(=O)[C@@H]3C)c2cc1C ZINC000189330453 442922179 /nfs/dbraw/zinc/92/21/79/442922179.db2.gz HIMINLJLAYJOOU-LSDHHAIUSA-N 2 2 330.432 1.224 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000184837876 318539283 /nfs/dbraw/zinc/53/92/83/318539283.db2.gz PRTIHSGTDYJSJT-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@H]1[NH+](C)C ZINC000268324490 442948213 /nfs/dbraw/zinc/94/82/13/442948213.db2.gz SJFXUNVAAPAYNM-CZUORRHYSA-N 2 2 341.415 1.219 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249648115 442998273 /nfs/dbraw/zinc/99/82/73/442998273.db2.gz YBJQSGBFULBWBN-HKUYNNGSSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCCN1CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249648115 442998275 /nfs/dbraw/zinc/99/82/75/442998275.db2.gz YBJQSGBFULBWBN-HKUYNNGSSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCCN1CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249648115 442998276 /nfs/dbraw/zinc/99/82/76/442998276.db2.gz YBJQSGBFULBWBN-HKUYNNGSSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCCN1CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249648115 442998278 /nfs/dbraw/zinc/99/82/78/442998278.db2.gz YBJQSGBFULBWBN-HKUYNNGSSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249648115 442998280 /nfs/dbraw/zinc/99/82/80/442998280.db2.gz YBJQSGBFULBWBN-HKUYNNGSSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCC[N@H+]1CCN1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249648115 442998282 /nfs/dbraw/zinc/99/82/82/442998282.db2.gz YBJQSGBFULBWBN-HKUYNNGSSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCC[NH+]1CCN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249648115 442998284 /nfs/dbraw/zinc/99/82/84/442998284.db2.gz YBJQSGBFULBWBN-HKUYNNGSSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCC[NH+]1CCN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249648115 442998285 /nfs/dbraw/zinc/99/82/85/442998285.db2.gz YBJQSGBFULBWBN-HKUYNNGSSA-N 2 2 332.492 1.556 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189502599 442969250 /nfs/dbraw/zinc/96/92/50/442969250.db2.gz RIPFCNPUEBJDBA-UHFFFAOYSA-N 2 2 346.450 1.959 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189502599 442969254 /nfs/dbraw/zinc/96/92/54/442969254.db2.gz RIPFCNPUEBJDBA-UHFFFAOYSA-N 2 2 346.450 1.959 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]nnc2c1 ZINC000195122470 442985131 /nfs/dbraw/zinc/98/51/31/442985131.db2.gz KOMCPBGBXYIELU-HNNXBMFYSA-N 2 2 344.463 1.446 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]nnc2c1 ZINC000195122470 442985133 /nfs/dbraw/zinc/98/51/33/442985133.db2.gz KOMCPBGBXYIELU-HNNXBMFYSA-N 2 2 344.463 1.446 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000195125068 442985159 /nfs/dbraw/zinc/98/51/59/442985159.db2.gz WOFSLVRPPQZMAL-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000195125068 442985162 /nfs/dbraw/zinc/98/51/62/442985162.db2.gz WOFSLVRPPQZMAL-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184145538 442996151 /nfs/dbraw/zinc/99/61/51/442996151.db2.gz YTBZQTKDKYSMEE-UHFFFAOYSA-N 2 2 346.475 1.350 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000184145538 442996156 /nfs/dbraw/zinc/99/61/56/442996156.db2.gz YTBZQTKDKYSMEE-UHFFFAOYSA-N 2 2 346.475 1.350 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000266034579 442996797 /nfs/dbraw/zinc/99/67/97/442996797.db2.gz SWNAHQOYLQQQTP-RTBURBONSA-N 2 2 348.487 1.697 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000266034579 442996799 /nfs/dbraw/zinc/99/67/99/442996799.db2.gz SWNAHQOYLQQQTP-RTBURBONSA-N 2 2 348.487 1.697 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000249862060 443007192 /nfs/dbraw/zinc/00/71/92/443007192.db2.gz GHEWTPBZMNKOBP-BRWVUGGUSA-N 2 2 349.479 1.556 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC000268515729 443017072 /nfs/dbraw/zinc/01/70/72/443017072.db2.gz DLZSIZBFOYUISN-UHFFFAOYSA-N 2 2 327.432 1.924 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000251903092 443019961 /nfs/dbraw/zinc/01/99/61/443019961.db2.gz SOHKARBLVHVIFE-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000251903092 443019963 /nfs/dbraw/zinc/01/99/63/443019963.db2.gz SOHKARBLVHVIFE-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000251903092 443019967 /nfs/dbraw/zinc/01/99/67/443019967.db2.gz SOHKARBLVHVIFE-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000251903092 443019970 /nfs/dbraw/zinc/01/99/70/443019970.db2.gz SOHKARBLVHVIFE-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP COCCC[N@H+](CCO)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000189883016 443023693 /nfs/dbraw/zinc/02/36/93/443023693.db2.gz RJZIGAQJCHKRIV-INIZCTEOSA-N 2 2 335.448 1.345 20 0 EDADLP COCCC[N@@H+](CCO)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000189883016 443023695 /nfs/dbraw/zinc/02/36/95/443023695.db2.gz RJZIGAQJCHKRIV-INIZCTEOSA-N 2 2 335.448 1.345 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000297339084 318761287 /nfs/dbraw/zinc/76/12/87/318761287.db2.gz DKWOLXJHGCBSHE-UHFFFAOYSA-N 2 2 325.338 1.597 20 0 EDADLP Cc1nc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c(C)c(C)[nH+]1 ZINC000255961367 443115189 /nfs/dbraw/zinc/11/51/89/443115189.db2.gz DNGJQQKEHLYHOP-GOSISDBHSA-N 2 2 347.507 1.633 20 0 EDADLP Cc1nc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c(C)c(C)[nH+]1 ZINC000255961367 443115191 /nfs/dbraw/zinc/11/51/91/443115191.db2.gz DNGJQQKEHLYHOP-GOSISDBHSA-N 2 2 347.507 1.633 20 0 EDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000261739557 443167650 /nfs/dbraw/zinc/16/76/50/443167650.db2.gz SRGKUYGKHJZOCW-CQSZACIVSA-N 2 2 329.404 1.024 20 0 EDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000261739557 443167654 /nfs/dbraw/zinc/16/76/54/443167654.db2.gz SRGKUYGKHJZOCW-CQSZACIVSA-N 2 2 329.404 1.024 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237508807 443174744 /nfs/dbraw/zinc/17/47/44/443174744.db2.gz PTBUUMBANXGPJH-HOTGVXAUSA-N 2 2 348.466 1.534 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC[N@@H+]1C ZINC000185345008 443186301 /nfs/dbraw/zinc/18/63/01/443186301.db2.gz IXAHXJGHMTUHSM-WDSOQIARSA-N 2 2 345.487 1.529 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC[N@H+]1C ZINC000185345008 443186306 /nfs/dbraw/zinc/18/63/06/443186306.db2.gz IXAHXJGHMTUHSM-WDSOQIARSA-N 2 2 345.487 1.529 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268959933 443159816 /nfs/dbraw/zinc/15/98/16/443159816.db2.gz XBKBPGRBFLKZJP-QAPCUYQASA-N 2 2 349.475 1.702 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268959933 443159820 /nfs/dbraw/zinc/15/98/20/443159820.db2.gz XBKBPGRBFLKZJP-QAPCUYQASA-N 2 2 349.475 1.702 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCN(C)C(=O)C3)c2cc1C ZINC000191084025 443238303 /nfs/dbraw/zinc/23/83/03/443238303.db2.gz RBXJACCPYWTSAN-OAHLLOKOSA-N 2 2 330.432 1.178 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCN(C)C(=O)C3)c2cc1C ZINC000191084025 443238307 /nfs/dbraw/zinc/23/83/07/443238307.db2.gz RBXJACCPYWTSAN-OAHLLOKOSA-N 2 2 330.432 1.178 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000245650526 443242443 /nfs/dbraw/zinc/24/24/43/443242443.db2.gz HFUCRNQANSBWBY-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000245650526 443242444 /nfs/dbraw/zinc/24/24/44/443242444.db2.gz HFUCRNQANSBWBY-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000245650526 443242445 /nfs/dbraw/zinc/24/24/45/443242445.db2.gz HFUCRNQANSBWBY-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000245650526 443242446 /nfs/dbraw/zinc/24/24/46/443242446.db2.gz HFUCRNQANSBWBY-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000269145518 443212387 /nfs/dbraw/zinc/21/23/87/443212387.db2.gz HACZSVZTMKKAAC-UHFFFAOYSA-N 2 2 342.399 1.821 20 0 EDADLP CCC[N@H+](C)Cc1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000350601957 319057176 /nfs/dbraw/zinc/05/71/76/319057176.db2.gz YDZUPWLXZIYOCK-UHFFFAOYSA-N 2 2 330.436 1.725 20 0 EDADLP CCC[N@@H+](C)Cc1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000350601957 319057179 /nfs/dbraw/zinc/05/71/79/319057179.db2.gz YDZUPWLXZIYOCK-UHFFFAOYSA-N 2 2 330.436 1.725 20 0 EDADLP C[NH+](C)CCOc1ccccc1-c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000351205382 319096252 /nfs/dbraw/zinc/09/62/52/319096252.db2.gz HJVUHRUJKTVYLE-OAHLLOKOSA-N 2 2 332.404 1.680 20 0 EDADLP C[NH+](C)CCOc1ccccc1-c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000351205382 319096254 /nfs/dbraw/zinc/09/62/54/319096254.db2.gz HJVUHRUJKTVYLE-OAHLLOKOSA-N 2 2 332.404 1.680 20 0 EDADLP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000382877057 319125013 /nfs/dbraw/zinc/12/50/13/319125013.db2.gz XVCZYRWXOYFSRU-JKSUJKDBSA-N 2 2 342.528 1.619 20 0 EDADLP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000382877057 319125015 /nfs/dbraw/zinc/12/50/15/319125015.db2.gz XVCZYRWXOYFSRU-JKSUJKDBSA-N 2 2 342.528 1.619 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000385613081 319127935 /nfs/dbraw/zinc/12/79/35/319127935.db2.gz CFLKCJJYTIOGQO-MSOLQXFVSA-N 2 2 334.460 1.945 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000385613081 319127938 /nfs/dbraw/zinc/12/79/38/319127938.db2.gz CFLKCJJYTIOGQO-MSOLQXFVSA-N 2 2 334.460 1.945 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411689476 319196127 /nfs/dbraw/zinc/19/61/27/319196127.db2.gz FWGARMFSAYKYSG-OAHLLOKOSA-N 2 2 329.510 1.361 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411689476 319196129 /nfs/dbraw/zinc/19/61/29/319196129.db2.gz FWGARMFSAYKYSG-OAHLLOKOSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411689476 319196130 /nfs/dbraw/zinc/19/61/30/319196130.db2.gz FWGARMFSAYKYSG-OAHLLOKOSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411689476 319196132 /nfs/dbraw/zinc/19/61/32/319196132.db2.gz FWGARMFSAYKYSG-OAHLLOKOSA-N 2 2 329.510 1.361 20 0 EDADLP CO[C@](C)([C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000413398019 319266623 /nfs/dbraw/zinc/26/66/23/319266623.db2.gz HFGWUSXFSRORTI-RDTXWAMCSA-N 2 2 340.512 1.515 20 0 EDADLP CN(C)c1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1C ZINC000414378649 319325734 /nfs/dbraw/zinc/32/57/34/319325734.db2.gz LALZFELOKATQRT-IAGOWNOFSA-N 2 2 335.496 1.344 20 0 EDADLP CN(C)c1[nH+]cc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1C ZINC000414378649 319325735 /nfs/dbraw/zinc/32/57/35/319325735.db2.gz LALZFELOKATQRT-IAGOWNOFSA-N 2 2 335.496 1.344 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000269303158 443274278 /nfs/dbraw/zinc/27/42/78/443274278.db2.gz ZBNDMBYPFNWSRW-BBRMVZONSA-N 2 2 347.463 1.640 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCOCC1CC1 ZINC000269273862 443261634 /nfs/dbraw/zinc/26/16/34/443261634.db2.gz ZAGLQVPZPKYZLF-SFHVURJKSA-N 2 2 342.443 1.344 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC1([NH3+])CCC1)c1cccc(F)c1 ZINC000416912448 319472835 /nfs/dbraw/zinc/47/28/35/319472835.db2.gz NKDKBJGNVUTCNJ-AWEZNQCLSA-N 2 2 331.395 1.829 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416924964 319475938 /nfs/dbraw/zinc/47/59/38/319475938.db2.gz XFRDWNFCMAQTSF-DOMZBBRYSA-N 2 2 333.411 1.946 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)[C@@H](C[NH3+])C1 ZINC000416932828 319477583 /nfs/dbraw/zinc/47/75/83/319477583.db2.gz RFRFXMQBEQGGGS-GOEBONIOSA-N 2 2 347.463 1.187 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCCO1 ZINC000416938276 319479109 /nfs/dbraw/zinc/47/91/09/319479109.db2.gz KVHLLADZWTUCLR-INIZCTEOSA-N 2 2 347.463 1.331 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)C1 ZINC000272452223 443323244 /nfs/dbraw/zinc/32/32/44/443323244.db2.gz CKINEFVYCJSUNN-YPMHNXCESA-N 2 2 339.461 1.331 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000418415163 319500547 /nfs/dbraw/zinc/50/05/47/319500547.db2.gz NADHPUBBACLZJX-JKSUJKDBSA-N 2 2 326.485 1.256 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000419039585 319545444 /nfs/dbraw/zinc/54/54/44/319545444.db2.gz LCIGDKVASSOPCG-UHFFFAOYSA-N 2 2 343.431 1.122 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC(=O)N[C@H]3C)c2cc1C ZINC000282457083 443345470 /nfs/dbraw/zinc/34/54/70/443345470.db2.gz STNYGTWYQYXXBD-RRFJBIMHSA-N 2 2 330.432 1.271 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CCn2cc[nH+]c2)[NH+]2CCOCC2)s1 ZINC000267133691 443353742 /nfs/dbraw/zinc/35/37/42/443353742.db2.gz SGLOHVRNTFMYKL-HNNXBMFYSA-N 2 2 348.472 1.833 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267396247 443442994 /nfs/dbraw/zinc/44/29/94/443442994.db2.gz RKGGLKCADONHHH-OAHLLOKOSA-N 2 2 328.416 1.058 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000278731614 443418027 /nfs/dbraw/zinc/41/80/27/443418027.db2.gz UNYMMWCCONJDDA-UHFFFAOYSA-N 2 2 336.383 1.416 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000264775848 443418353 /nfs/dbraw/zinc/41/83/53/443418353.db2.gz SICMQHRPUWWRPG-GOSISDBHSA-N 2 2 327.476 1.825 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000264775848 443418357 /nfs/dbraw/zinc/41/83/57/443418357.db2.gz SICMQHRPUWWRPG-GOSISDBHSA-N 2 2 327.476 1.825 20 0 EDADLP COc1cc(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)cc(OC)c1OC ZINC000420368746 319611449 /nfs/dbraw/zinc/61/14/49/319611449.db2.gz UNZSJBWXWOZFPQ-CQSZACIVSA-N 2 2 339.436 1.614 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000267521832 443484181 /nfs/dbraw/zinc/48/41/81/443484181.db2.gz JMPCWDGARWXYEF-ZDUSSCGKSA-N 2 2 343.431 1.482 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422641346 319723716 /nfs/dbraw/zinc/72/37/16/319723716.db2.gz XSUQJVHSLXTEKM-UHFFFAOYSA-N 2 2 349.450 1.881 20 0 EDADLP CCN1CCO[C@@H](C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423104382 319750620 /nfs/dbraw/zinc/75/06/20/319750620.db2.gz MBTAUUSXUOWQPE-LMCOJAPRSA-N 2 2 347.503 1.805 20 0 EDADLP Brc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C2 ZINC000423526696 319781533 /nfs/dbraw/zinc/78/15/33/319781533.db2.gz QPYDTIPFNLHHNC-CABCVRRESA-N 2 2 325.250 1.884 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423561661 319785679 /nfs/dbraw/zinc/78/56/79/319785679.db2.gz PVZLVSTZRYPBOW-AAEUAGOBSA-N 2 2 328.254 1.731 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]2CCOCC2)s1 ZINC000423750903 319810950 /nfs/dbraw/zinc/81/09/50/319810950.db2.gz DSLWBDWVEMWWFH-RYUDHWBXSA-N 2 2 347.431 1.529 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000265181833 443560999 /nfs/dbraw/zinc/56/09/99/443560999.db2.gz CHJGFAZZEMLUSM-INIZCTEOSA-N 2 2 340.439 1.344 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000265181833 443561000 /nfs/dbraw/zinc/56/10/00/443561000.db2.gz CHJGFAZZEMLUSM-INIZCTEOSA-N 2 2 340.439 1.344 20 0 EDADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H]1CNC(=O)O1)CC2 ZINC000283270114 443583279 /nfs/dbraw/zinc/58/32/79/443583279.db2.gz VRBXPNDHWUQNJP-QWHCGFSZSA-N 2 2 336.461 1.538 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H]1CNC(=O)O1)CC2 ZINC000283270114 443583283 /nfs/dbraw/zinc/58/32/83/443583283.db2.gz VRBXPNDHWUQNJP-QWHCGFSZSA-N 2 2 336.461 1.538 20 0 EDADLP C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000286044481 443633231 /nfs/dbraw/zinc/63/32/31/443633231.db2.gz QVCKMUIUHPKPNQ-RDJZCZTQSA-N 2 2 327.432 1.562 20 0 EDADLP C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000286044481 443633233 /nfs/dbraw/zinc/63/32/33/443633233.db2.gz QVCKMUIUHPKPNQ-RDJZCZTQSA-N 2 2 327.432 1.562 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000433164047 319973127 /nfs/dbraw/zinc/97/31/27/319973127.db2.gz PWGYKTYHLWHGSB-INIZCTEOSA-N 2 2 329.448 1.209 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000433985508 319990167 /nfs/dbraw/zinc/99/01/67/319990167.db2.gz NSHPZHCYGVTZFZ-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP O=C(C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCC1 ZINC000286176247 443662281 /nfs/dbraw/zinc/66/22/81/443662281.db2.gz WYCXVCMYNMIJQH-IBGZPJMESA-N 2 2 342.487 1.111 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434736789 320000639 /nfs/dbraw/zinc/00/06/39/320000639.db2.gz HSKPROPWAHQKFR-FUHWJXTLSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434736789 320000642 /nfs/dbraw/zinc/00/06/42/320000642.db2.gz HSKPROPWAHQKFR-FUHWJXTLSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000434736789 320000644 /nfs/dbraw/zinc/00/06/44/320000644.db2.gz HSKPROPWAHQKFR-FUHWJXTLSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000434736789 320000647 /nfs/dbraw/zinc/00/06/47/320000647.db2.gz HSKPROPWAHQKFR-FUHWJXTLSA-N 3 2 330.480 1.940 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc(F)cc1 ZINC000434869530 320005936 /nfs/dbraw/zinc/00/59/36/320005936.db2.gz POAABVNQYPLWEW-ZBFHGGJFSA-N 2 2 348.447 1.860 20 0 EDADLP Cc1[nH]c2ccc(NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)cc2[nH+]1 ZINC000449221516 320179798 /nfs/dbraw/zinc/17/97/98/320179798.db2.gz TXGGELKCSTURDZ-LBPRGKRZSA-N 2 2 325.376 1.467 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449394371 320188315 /nfs/dbraw/zinc/18/83/15/320188315.db2.gz NWOHIEVYNNJCJR-DOTOQJQBSA-N 2 2 349.475 1.849 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449394371 320188317 /nfs/dbraw/zinc/18/83/17/320188317.db2.gz NWOHIEVYNNJCJR-DOTOQJQBSA-N 2 2 349.475 1.849 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449441524 320190984 /nfs/dbraw/zinc/19/09/84/320190984.db2.gz GTWBUBRGNVVPCT-UAGQMJEPSA-N 2 2 339.505 1.739 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449441524 320190986 /nfs/dbraw/zinc/19/09/86/320190986.db2.gz GTWBUBRGNVVPCT-UAGQMJEPSA-N 2 2 339.505 1.739 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cncn2)cc1 ZINC000453271895 320262083 /nfs/dbraw/zinc/26/20/83/320262083.db2.gz UPOGUTCGNBCVLM-CRAIPNDOSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(-n2cncn2)cc1 ZINC000453271895 320262084 /nfs/dbraw/zinc/26/20/84/320262084.db2.gz UPOGUTCGNBCVLM-CRAIPNDOSA-N 2 2 329.448 1.765 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000456532390 320309762 /nfs/dbraw/zinc/30/97/62/320309762.db2.gz PXKVKBBYQNZNMZ-INIZCTEOSA-N 2 2 347.507 1.575 20 0 EDADLP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC000492439187 320379508 /nfs/dbraw/zinc/37/95/08/320379508.db2.gz VFWWYJSKXQLRSG-GJZGRUSLSA-N 2 2 327.469 1.554 20 0 EDADLP C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC000492439187 320379509 /nfs/dbraw/zinc/37/95/09/320379509.db2.gz VFWWYJSKXQLRSG-GJZGRUSLSA-N 2 2 327.469 1.554 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C(=O)OC)c(C)n3C)C2)CC1 ZINC000283732917 443701417 /nfs/dbraw/zinc/70/14/17/443701417.db2.gz CJSRKXUTPKLLFI-INIZCTEOSA-N 2 2 348.491 1.332 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(NC[C@H](C)O)[nH+]cn2)cn1 ZINC000298182659 443714740 /nfs/dbraw/zinc/71/47/40/443714740.db2.gz GSJMCMXPRPIZCS-LBPRGKRZSA-N 2 2 339.403 1.771 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNc2cc(NC[C@H](C)O)nc[nH+]2)cn1 ZINC000298182659 443714746 /nfs/dbraw/zinc/71/47/46/443714746.db2.gz GSJMCMXPRPIZCS-LBPRGKRZSA-N 2 2 339.403 1.771 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000276547893 443742520 /nfs/dbraw/zinc/74/25/20/443742520.db2.gz HAKRRFOQGOSQBB-LLHDCHNASA-N 2 2 340.427 1.422 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000276547893 443742525 /nfs/dbraw/zinc/74/25/25/443742525.db2.gz HAKRRFOQGOSQBB-LLHDCHNASA-N 2 2 340.427 1.422 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000292409975 443794550 /nfs/dbraw/zinc/79/45/50/443794550.db2.gz NIQDAHSUQMUUMQ-HZPDHXFCSA-N 2 2 349.385 1.943 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000292409975 443794556 /nfs/dbraw/zinc/79/45/56/443794556.db2.gz NIQDAHSUQMUUMQ-HZPDHXFCSA-N 2 2 349.385 1.943 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000527884643 320528030 /nfs/dbraw/zinc/52/80/30/320528030.db2.gz JTPVTOCYUKGBRM-UHFFFAOYSA-N 2 2 327.432 1.130 20 0 EDADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000276618951 443767464 /nfs/dbraw/zinc/76/74/64/443767464.db2.gz QMUYAORLHZLUIF-AATRIKPKSA-N 2 2 339.443 1.983 20 0 EDADLP Cn1nc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000625523054 450408060 /nfs/dbraw/zinc/40/80/60/450408060.db2.gz WNVDSEVIWZPHHJ-AWEZNQCLSA-N 2 2 341.459 1.472 20 0 EDADLP Cn1nc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000625523054 450408063 /nfs/dbraw/zinc/40/80/63/450408063.db2.gz WNVDSEVIWZPHHJ-AWEZNQCLSA-N 2 2 341.459 1.472 20 0 EDADLP CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000281178151 443840189 /nfs/dbraw/zinc/84/01/89/443840189.db2.gz QSEXDIYJAAQKQP-DNVCBOLYSA-N 2 2 344.459 1.472 20 0 EDADLP CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000281178151 443840192 /nfs/dbraw/zinc/84/01/92/443840192.db2.gz QSEXDIYJAAQKQP-DNVCBOLYSA-N 2 2 344.459 1.472 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCO2 ZINC000292858289 443862661 /nfs/dbraw/zinc/86/26/61/443862661.db2.gz QYYKQMYVESXVCU-CQSZACIVSA-N 2 2 347.459 1.661 20 0 EDADLP Cn1cc([C@H](CO)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000285118775 443863367 /nfs/dbraw/zinc/86/33/67/443863367.db2.gz AJXKSUJQNKQCPV-IBGZPJMESA-N 2 2 343.475 1.255 20 0 EDADLP CC(C)N(C)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000276939198 443877616 /nfs/dbraw/zinc/87/76/16/443877616.db2.gz GBNWBITVUANBKZ-INIZCTEOSA-N 2 2 333.480 1.356 20 0 EDADLP CC(C)N(C)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000276939198 443877618 /nfs/dbraw/zinc/87/76/18/443877618.db2.gz GBNWBITVUANBKZ-INIZCTEOSA-N 2 2 333.480 1.356 20 0 EDADLP CC[C@@H](C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(=O)OC ZINC000281437318 443910973 /nfs/dbraw/zinc/91/09/73/443910973.db2.gz SYSRLERIHMSNGC-NVXWUHKLSA-N 2 2 349.475 1.679 20 0 EDADLP CC[C@@H](C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(=O)OC ZINC000281437318 443910978 /nfs/dbraw/zinc/91/09/78/443910978.db2.gz SYSRLERIHMSNGC-NVXWUHKLSA-N 2 2 349.475 1.679 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](C)[S@@](=O)CC3)c2cc1C ZINC000277198080 443934573 /nfs/dbraw/zinc/93/45/73/443934573.db2.gz MJHQQPRNUAIKHM-JOWJHRDDSA-N 2 2 349.500 1.857 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](C)[S@@](=O)CC3)c2cc1C ZINC000277198080 443934575 /nfs/dbraw/zinc/93/45/75/443934575.db2.gz MJHQQPRNUAIKHM-JOWJHRDDSA-N 2 2 349.500 1.857 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCCO1 ZINC000277416592 443985329 /nfs/dbraw/zinc/98/53/29/443985329.db2.gz FRTKMAAQKIXHAT-OAHLLOKOSA-N 2 2 343.431 1.498 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCCO1 ZINC000277416592 443985333 /nfs/dbraw/zinc/98/53/33/443985333.db2.gz FRTKMAAQKIXHAT-OAHLLOKOSA-N 2 2 343.431 1.498 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000293354404 443993363 /nfs/dbraw/zinc/99/33/63/443993363.db2.gz NZEDWBDIYUQISP-SJLPKXTDSA-N 2 2 333.476 1.074 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000293354404 443993367 /nfs/dbraw/zinc/99/33/67/443993367.db2.gz NZEDWBDIYUQISP-SJLPKXTDSA-N 2 2 333.476 1.074 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cn2cc[nH+]c12 ZINC000293510990 444038695 /nfs/dbraw/zinc/03/86/95/444038695.db2.gz VMGDYLDYZOLLMJ-OAHLLOKOSA-N 2 2 339.399 1.054 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000285620599 444050045 /nfs/dbraw/zinc/05/00/45/444050045.db2.gz MRZNKNUCJUDSQJ-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000285620599 444050046 /nfs/dbraw/zinc/05/00/46/444050046.db2.gz MRZNKNUCJUDSQJ-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000299469316 444054758 /nfs/dbraw/zinc/05/47/58/444054758.db2.gz YIVQTGHICOFYIN-ZDUSSCGKSA-N 2 2 329.404 1.216 20 0 EDADLP C[NH+](C)[C@]1(CNc2cc(N3CCSCC3)[nH+]cn2)CCSC1 ZINC000277723717 444032667 /nfs/dbraw/zinc/03/26/67/444032667.db2.gz HYGAKPQJNXAONS-HNNXBMFYSA-N 2 2 339.534 1.879 20 0 EDADLP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000293605224 444067987 /nfs/dbraw/zinc/06/79/87/444067987.db2.gz GGGOBCIEOPIXCW-UKRRQHHQSA-N 2 2 335.477 1.782 20 0 EDADLP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000293605224 444067990 /nfs/dbraw/zinc/06/79/90/444067990.db2.gz GGGOBCIEOPIXCW-UKRRQHHQSA-N 2 2 335.477 1.782 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000558489914 321015332 /nfs/dbraw/zinc/01/53/32/321015332.db2.gz MTPUSLSOFOCVFR-UHFFFAOYSA-N 2 2 326.404 1.710 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000558489914 321015333 /nfs/dbraw/zinc/01/53/33/321015333.db2.gz MTPUSLSOFOCVFR-UHFFFAOYSA-N 2 2 326.404 1.710 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000560294389 321019022 /nfs/dbraw/zinc/01/90/22/321019022.db2.gz HFFJRZYPKHYULD-MRXNPFEDSA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000560294389 321019024 /nfs/dbraw/zinc/01/90/24/321019024.db2.gz HFFJRZYPKHYULD-MRXNPFEDSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCC(C)CC1 ZINC000562661006 321066825 /nfs/dbraw/zinc/06/68/25/321066825.db2.gz OUXHYHWNHWDWRU-YESZJQIVSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289273570 444093738 /nfs/dbraw/zinc/09/37/38/444093738.db2.gz FKGIWNCPSLMYOK-DLBZAZTESA-N 2 2 349.475 1.921 20 0 EDADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289273570 444093742 /nfs/dbraw/zinc/09/37/42/444093742.db2.gz FKGIWNCPSLMYOK-DLBZAZTESA-N 2 2 349.475 1.921 20 0 EDADLP C[NH+]1CCC2(CC1)C[C@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1O2 ZINC000565454612 321187029 /nfs/dbraw/zinc/18/70/29/321187029.db2.gz PKYHZHHIZNSALD-INIZCTEOSA-N 2 2 340.427 1.988 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)C1CC1 ZINC000289284533 444096787 /nfs/dbraw/zinc/09/67/87/444096787.db2.gz AILFFKQBCDMRFO-MRXNPFEDSA-N 2 2 347.459 1.498 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)C1CC1 ZINC000289284533 444096792 /nfs/dbraw/zinc/09/67/92/444096792.db2.gz AILFFKQBCDMRFO-MRXNPFEDSA-N 2 2 347.459 1.498 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566010426 321210737 /nfs/dbraw/zinc/21/07/37/321210737.db2.gz UEOJTNCZDTYWAS-XLIONFOSSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566010426 321210739 /nfs/dbraw/zinc/21/07/39/321210739.db2.gz UEOJTNCZDTYWAS-XLIONFOSSA-N 2 2 345.487 1.954 20 0 EDADLP C[NH+]1CCC(CNc2cc[nH+]c3ccncc23)(N2CCOCC2)CC1 ZINC000567568131 321246160 /nfs/dbraw/zinc/24/61/60/321246160.db2.gz XKUADAFCNLJQJL-UHFFFAOYSA-N 2 2 341.459 1.260 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H](c2cccnc2)C1)[NH+]1CCOCC1 ZINC000567730646 321255438 /nfs/dbraw/zinc/25/54/38/321255438.db2.gz LOAMHRUGCBAJST-QGZVFWFLSA-N 2 2 346.475 1.098 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H](c2cccnc2)C1)[NH+]1CCOCC1 ZINC000567730646 321255439 /nfs/dbraw/zinc/25/54/39/321255439.db2.gz LOAMHRUGCBAJST-QGZVFWFLSA-N 2 2 346.475 1.098 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000567849057 321262819 /nfs/dbraw/zinc/26/28/19/321262819.db2.gz KGIBBCGNZSXZEM-OLZOCXBDSA-N 2 2 329.404 1.377 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000568020404 321273340 /nfs/dbraw/zinc/27/33/40/321273340.db2.gz UKIPIIORXGGYKN-MRXNPFEDSA-N 3 2 347.507 1.238 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000568020404 321273342 /nfs/dbraw/zinc/27/33/42/321273342.db2.gz UKIPIIORXGGYKN-MRXNPFEDSA-N 3 2 347.507 1.238 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000568162544 321277958 /nfs/dbraw/zinc/27/79/58/321277958.db2.gz ZSVDKFIRULCKOV-KGLIPLIRSA-N 2 2 326.462 1.671 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000568162544 321277959 /nfs/dbraw/zinc/27/79/59/321277959.db2.gz ZSVDKFIRULCKOV-KGLIPLIRSA-N 2 2 326.462 1.671 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)cn21 ZINC000568205759 321281185 /nfs/dbraw/zinc/28/11/85/321281185.db2.gz LQIMZYOZIKIRDN-INIZCTEOSA-N 2 2 345.447 1.289 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3CCCC[N@H+]3CCO)cn21 ZINC000568205759 321281186 /nfs/dbraw/zinc/28/11/86/321281186.db2.gz LQIMZYOZIKIRDN-INIZCTEOSA-N 2 2 345.447 1.289 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)n1C ZINC000568269308 321285537 /nfs/dbraw/zinc/28/55/37/321285537.db2.gz HINBSZVSRFRFBX-UHFFFAOYSA-N 2 2 348.881 1.512 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000569085715 321317669 /nfs/dbraw/zinc/31/76/69/321317669.db2.gz JAMGWKJAJNFDLB-SFHVURJKSA-N 3 2 345.491 1.067 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472527 321326710 /nfs/dbraw/zinc/32/67/10/321326710.db2.gz ASDMJMDIONMKDS-POAQFYNOSA-N 3 2 345.487 1.679 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472527 321326711 /nfs/dbraw/zinc/32/67/11/321326711.db2.gz ASDMJMDIONMKDS-POAQFYNOSA-N 3 2 345.487 1.679 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000570695482 321354162 /nfs/dbraw/zinc/35/41/62/321354162.db2.gz UWNGSWFGXSVWNZ-SJORKVTESA-N 2 2 337.508 1.414 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000570695482 321354163 /nfs/dbraw/zinc/35/41/63/321354163.db2.gz UWNGSWFGXSVWNZ-SJORKVTESA-N 2 2 337.508 1.414 20 0 EDADLP C[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](C)[S@](=O)CC2)CC[S@]1=O ZINC000570755413 321355791 /nfs/dbraw/zinc/35/57/91/321355791.db2.gz JBDKIPZTHFJCHW-FHTPNYMGSA-N 2 2 348.578 1.452 20 0 EDADLP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[S@](=O)CC2)CC[S@]1=O ZINC000570755413 321355793 /nfs/dbraw/zinc/35/57/93/321355793.db2.gz JBDKIPZTHFJCHW-FHTPNYMGSA-N 2 2 348.578 1.452 20 0 EDADLP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[S@](=O)CC2)CC[S@]1=O ZINC000570755413 321355794 /nfs/dbraw/zinc/35/57/94/321355794.db2.gz JBDKIPZTHFJCHW-FHTPNYMGSA-N 2 2 348.578 1.452 20 0 EDADLP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[S@](=O)CC2)CC[S@]1=O ZINC000570755413 321355796 /nfs/dbraw/zinc/35/57/96/321355796.db2.gz JBDKIPZTHFJCHW-FHTPNYMGSA-N 2 2 348.578 1.452 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2)CC1 ZINC000571255704 321379934 /nfs/dbraw/zinc/37/99/34/321379934.db2.gz XVRWAXICROQNLF-UHFFFAOYSA-N 2 2 348.443 1.980 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)cn2)n1 ZINC000571516998 321390068 /nfs/dbraw/zinc/39/00/68/321390068.db2.gz XXFADZLDNXRVLP-KRWDZBQOSA-N 2 2 329.448 1.429 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)cn2)n1 ZINC000571516998 321390069 /nfs/dbraw/zinc/39/00/69/321390069.db2.gz XXFADZLDNXRVLP-KRWDZBQOSA-N 2 2 329.448 1.429 20 0 EDADLP CCS(=O)(=O)NCCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000289323210 444107992 /nfs/dbraw/zinc/10/79/92/444107992.db2.gz COUFJMVYXUAAHB-JKSUJKDBSA-N 2 2 325.478 1.351 20 0 EDADLP CCS(=O)(=O)NCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000289323210 444107996 /nfs/dbraw/zinc/10/79/96/444107996.db2.gz COUFJMVYXUAAHB-JKSUJKDBSA-N 2 2 325.478 1.351 20 0 EDADLP Cn1ncc2c1nc(NCC1CCN(c3cc[nH+]cc3)CC1)[nH+]c2N ZINC000278316903 444138705 /nfs/dbraw/zinc/13/87/05/444138705.db2.gz HNXIAEOTNVAACP-UHFFFAOYSA-N 2 2 338.419 1.669 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648369 444185960 /nfs/dbraw/zinc/18/59/60/444185960.db2.gz GCEDIZAZESZDII-RTBURBONSA-N 2 2 336.451 1.508 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648369 444185962 /nfs/dbraw/zinc/18/59/62/444185962.db2.gz GCEDIZAZESZDII-RTBURBONSA-N 2 2 336.451 1.508 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648369 444185964 /nfs/dbraw/zinc/18/59/64/444185964.db2.gz GCEDIZAZESZDII-RTBURBONSA-N 2 2 336.451 1.508 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648369 444185966 /nfs/dbraw/zinc/18/59/66/444185966.db2.gz GCEDIZAZESZDII-RTBURBONSA-N 2 2 336.451 1.508 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@@](C)(O)C[NH+]3CCOCC3)[nH+]cn2)C1 ZINC000301783224 444190260 /nfs/dbraw/zinc/19/02/60/444190260.db2.gz UCAZCRXSCDSUHP-CRAIPNDOSA-N 2 2 349.479 1.208 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cccnc1N ZINC000295749765 444192353 /nfs/dbraw/zinc/19/23/53/444192353.db2.gz NQNMKCUNDBMYLB-GJZGRUSLSA-N 2 2 332.427 1.442 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cccnc1N ZINC000295749765 444192356 /nfs/dbraw/zinc/19/23/56/444192356.db2.gz NQNMKCUNDBMYLB-GJZGRUSLSA-N 2 2 332.427 1.442 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1)C1CC1 ZINC000290134879 444246911 /nfs/dbraw/zinc/24/69/11/444246911.db2.gz ZZUCLNCVZBCEHV-GOSISDBHSA-N 2 2 331.460 1.336 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1)C1CC1 ZINC000290134879 444246913 /nfs/dbraw/zinc/24/69/13/444246913.db2.gz ZZUCLNCVZBCEHV-GOSISDBHSA-N 2 2 331.460 1.336 20 0 EDADLP CC[C@@H](CCO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000304397235 444248493 /nfs/dbraw/zinc/24/84/93/444248493.db2.gz VTQDGSFNDPXHGP-AWEZNQCLSA-N 2 2 326.485 1.005 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC(=O)Nc2ccccc2)C[C@@H](C)O1 ZINC000576576402 321577963 /nfs/dbraw/zinc/57/79/63/321577963.db2.gz AZBOMYYIYFJPHX-BFYDXBDKSA-N 2 2 335.448 1.075 20 0 EDADLP CC(C)C[C@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000305129127 444259779 /nfs/dbraw/zinc/25/97/79/444259779.db2.gz JGWVBAJGFOIRRT-MRXNPFEDSA-N 2 2 340.512 1.251 20 0 EDADLP CC[C@](C)(CCO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000305138238 444260515 /nfs/dbraw/zinc/26/05/15/444260515.db2.gz GXJOXAXFXCPKMA-GOSISDBHSA-N 2 2 340.512 1.395 20 0 EDADLP COc1cc2c(c(C[N@H+](CCO)C3CC[NH+](C)CC3)c1)O[C@H](C)C2 ZINC000305161683 444261949 /nfs/dbraw/zinc/26/19/49/444261949.db2.gz BUOMXJFSOUCVFC-CQSZACIVSA-N 2 2 334.460 1.907 20 0 EDADLP COc1cc2c(c(C[N@@H+](CCO)C3CC[NH+](C)CC3)c1)O[C@H](C)C2 ZINC000305161683 444261951 /nfs/dbraw/zinc/26/19/51/444261951.db2.gz BUOMXJFSOUCVFC-CQSZACIVSA-N 2 2 334.460 1.907 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000576966115 321611730 /nfs/dbraw/zinc/61/17/30/321611730.db2.gz BFSLXJLXEZDOIR-OQSMONGASA-N 2 2 343.475 1.425 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302889205 444230123 /nfs/dbraw/zinc/23/01/23/444230123.db2.gz NCFQAAAYSFVTIV-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302889205 444230124 /nfs/dbraw/zinc/23/01/24/444230124.db2.gz NCFQAAAYSFVTIV-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302889205 444230125 /nfs/dbraw/zinc/23/01/25/444230125.db2.gz NCFQAAAYSFVTIV-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302905537 444231107 /nfs/dbraw/zinc/23/11/07/444231107.db2.gz SMIACDXPSVNYGZ-HOTGVXAUSA-N 2 2 333.480 1.748 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302905537 444231109 /nfs/dbraw/zinc/23/11/09/444231109.db2.gz SMIACDXPSVNYGZ-HOTGVXAUSA-N 2 2 333.480 1.748 20 0 EDADLP O[C@]1(c2nc(C3CC3)no2)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000290391953 444275335 /nfs/dbraw/zinc/27/53/35/444275335.db2.gz IVHLOIIAYQGCSK-QGZVFWFLSA-N 2 2 325.372 1.688 20 0 EDADLP O[C@]1(c2nc(C3CC3)no2)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000290391953 444275337 /nfs/dbraw/zinc/27/53/37/444275337.db2.gz IVHLOIIAYQGCSK-QGZVFWFLSA-N 2 2 325.372 1.688 20 0 EDADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1CO ZINC000305743555 444277389 /nfs/dbraw/zinc/27/73/89/444277389.db2.gz UBHHKSYEHKEGGB-MJGOQNOKSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1CO ZINC000305743555 444277392 /nfs/dbraw/zinc/27/73/92/444277392.db2.gz UBHHKSYEHKEGGB-MJGOQNOKSA-N 2 2 345.487 1.424 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(F)(F)C3(O)CCC3)CC2)CC1 ZINC000305753210 444277774 /nfs/dbraw/zinc/27/77/74/444277774.db2.gz UJPKWCUVKPRZQN-UHFFFAOYSA-N 2 2 345.434 1.212 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CCCC[C@H]1O ZINC000305836442 444282870 /nfs/dbraw/zinc/28/28/70/444282870.db2.gz XEDSSIRQSFNALL-FUHWJXTLSA-N 2 2 349.475 1.407 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CCCC[C@H]1O ZINC000305836442 444282872 /nfs/dbraw/zinc/28/28/72/444282872.db2.gz XEDSSIRQSFNALL-FUHWJXTLSA-N 2 2 349.475 1.407 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309993408 444290852 /nfs/dbraw/zinc/29/08/52/444290852.db2.gz LLEVZFOJQGXQKH-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309993408 444290853 /nfs/dbraw/zinc/29/08/53/444290853.db2.gz LLEVZFOJQGXQKH-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CCOc1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1OC(F)F ZINC000321450885 444336216 /nfs/dbraw/zinc/33/62/16/444336216.db2.gz PZXQLFNUTWVWEG-ZDUSSCGKSA-N 2 2 329.391 1.761 20 0 EDADLP CCOc1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1OC(F)F ZINC000321450885 444336218 /nfs/dbraw/zinc/33/62/18/444336218.db2.gz PZXQLFNUTWVWEG-ZDUSSCGKSA-N 2 2 329.391 1.761 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000297997429 444382444 /nfs/dbraw/zinc/38/24/44/444382444.db2.gz NVDIJKULLDGKMZ-UHFFFAOYSA-N 2 2 336.436 1.342 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000331246767 444456422 /nfs/dbraw/zinc/45/64/22/444456422.db2.gz USXPYSWKWFIKGD-CQSZACIVSA-N 2 2 335.496 1.859 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)C[N@@H+]1C1CC1 ZINC000329049301 444457448 /nfs/dbraw/zinc/45/74/48/444457448.db2.gz VZSIIOANKBMEFX-FHKFTOANSA-N 2 2 331.464 1.297 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)C[N@H+]1C1CC1 ZINC000329049301 444457449 /nfs/dbraw/zinc/45/74/49/444457449.db2.gz VZSIIOANKBMEFX-FHKFTOANSA-N 2 2 331.464 1.297 20 0 EDADLP Cc1nc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000329188053 444495442 /nfs/dbraw/zinc/49/54/42/444495442.db2.gz QXZCLCKJWYJKOA-GJZGRUSLSA-N 2 2 334.464 1.880 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc(C)[nH+]1 ZINC000332034592 444496841 /nfs/dbraw/zinc/49/68/41/444496841.db2.gz OUOLPAJCGHAGJG-MRXNPFEDSA-N 2 2 330.432 1.011 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc(C)[nH+]1 ZINC000332034592 444496844 /nfs/dbraw/zinc/49/68/44/444496844.db2.gz OUOLPAJCGHAGJG-MRXNPFEDSA-N 2 2 330.432 1.011 20 0 EDADLP C[C@]1(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC[NH2+]C1 ZINC000580172957 322017821 /nfs/dbraw/zinc/01/78/21/322017821.db2.gz PEBPXBXDKYRERH-SFHVURJKSA-N 2 2 331.464 1.299 20 0 EDADLP C[C@@]1(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC[NH2+]C1 ZINC000580172956 322017918 /nfs/dbraw/zinc/01/79/18/322017918.db2.gz PEBPXBXDKYRERH-GOSISDBHSA-N 2 2 331.464 1.299 20 0 EDADLP Cc1cnc(-c2cccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2)o1 ZINC000580629490 322075351 /nfs/dbraw/zinc/07/53/51/322075351.db2.gz KYEBRUNDRPSERF-HNNXBMFYSA-N 2 2 329.404 1.757 20 0 EDADLP Cc1cnc(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2)o1 ZINC000580629490 322075355 /nfs/dbraw/zinc/07/53/55/322075355.db2.gz KYEBRUNDRPSERF-HNNXBMFYSA-N 2 2 329.404 1.757 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)CC2 ZINC000580650164 322078689 /nfs/dbraw/zinc/07/86/89/322078689.db2.gz HHPAXSMNHSHCQI-NXHRZFHOSA-N 2 2 346.475 1.514 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccc3ccccc3n2)C[C@H](C)O1 ZINC000580828708 322100277 /nfs/dbraw/zinc/10/02/77/322100277.db2.gz IIVDUXZFNNCJBL-FCEWJHQRSA-N 2 2 343.471 1.837 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccc3ccccc3n2)C[C@H](C)O1 ZINC000580828708 322100280 /nfs/dbraw/zinc/10/02/80/322100280.db2.gz IIVDUXZFNNCJBL-FCEWJHQRSA-N 2 2 343.471 1.837 20 0 EDADLP CCSc1cc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000580948406 322115742 /nfs/dbraw/zinc/11/57/42/322115742.db2.gz XRFQRJBXIZLTQX-IJEWVQPXSA-N 2 2 339.505 1.753 20 0 EDADLP CCSc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000580948406 322115745 /nfs/dbraw/zinc/11/57/45/322115745.db2.gz XRFQRJBXIZLTQX-IJEWVQPXSA-N 2 2 339.505 1.753 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000581407813 322172836 /nfs/dbraw/zinc/17/28/36/322172836.db2.gz GLWLXJZVIAJRBP-KRWDZBQOSA-N 2 2 342.443 1.672 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000581407813 322172838 /nfs/dbraw/zinc/17/28/38/322172838.db2.gz GLWLXJZVIAJRBP-KRWDZBQOSA-N 2 2 342.443 1.672 20 0 EDADLP Cc1cnn(CC[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000342133621 444525775 /nfs/dbraw/zinc/52/57/75/444525775.db2.gz RMHOKMTZHXVXKF-JKSUJKDBSA-N 2 2 334.443 1.469 20 0 EDADLP Cc1cnn(CC[N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000342133621 444525780 /nfs/dbraw/zinc/52/57/80/444525780.db2.gz RMHOKMTZHXVXKF-JKSUJKDBSA-N 2 2 334.443 1.469 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC[N@@H+]1C ZINC000343752453 444566328 /nfs/dbraw/zinc/56/63/28/444566328.db2.gz KJBWNZMJWAXNOV-WDEREUQCSA-N 2 2 333.358 1.727 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC[N@H+]1C ZINC000343752453 444566331 /nfs/dbraw/zinc/56/63/31/444566331.db2.gz KJBWNZMJWAXNOV-WDEREUQCSA-N 2 2 333.358 1.727 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000343771070 444579020 /nfs/dbraw/zinc/57/90/20/444579020.db2.gz FVYZYJBFMGWFOQ-IXDOHACOSA-N 2 2 328.460 1.851 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000343771070 444579022 /nfs/dbraw/zinc/57/90/22/444579022.db2.gz FVYZYJBFMGWFOQ-IXDOHACOSA-N 2 2 328.460 1.851 20 0 EDADLP C[NH+]1CCC2(CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000329445326 444581624 /nfs/dbraw/zinc/58/16/24/444581624.db2.gz NQAMXWRLZXETRW-UHFFFAOYSA-N 2 2 325.416 1.968 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C[C@@H]21 ZINC000332753855 444540351 /nfs/dbraw/zinc/54/03/51/444540351.db2.gz IPLSGHLXAQVVQN-GJZGRUSLSA-N 2 2 338.496 1.410 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C[C@@H]21 ZINC000332753855 444540355 /nfs/dbraw/zinc/54/03/55/444540355.db2.gz IPLSGHLXAQVVQN-GJZGRUSLSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343723467 444546471 /nfs/dbraw/zinc/54/64/71/444546471.db2.gz VDNOJLQRSGIBKW-PBHICJAKSA-N 2 2 336.480 1.118 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343725531 444547926 /nfs/dbraw/zinc/54/79/26/444547926.db2.gz FXZHRKPWZMBFPP-DLBZAZTESA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343725531 444547932 /nfs/dbraw/zinc/54/79/32/444547932.db2.gz FXZHRKPWZMBFPP-DLBZAZTESA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1 ZINC000342396714 444674081 /nfs/dbraw/zinc/67/40/81/444674081.db2.gz NYPMJIYWPXFREA-INIZCTEOSA-N 2 2 348.491 1.080 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1 ZINC000342396714 444674086 /nfs/dbraw/zinc/67/40/86/444674086.db2.gz NYPMJIYWPXFREA-INIZCTEOSA-N 2 2 348.491 1.080 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000342396714 444674087 /nfs/dbraw/zinc/67/40/87/444674087.db2.gz NYPMJIYWPXFREA-INIZCTEOSA-N 2 2 348.491 1.080 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000342396714 444674093 /nfs/dbraw/zinc/67/40/93/444674093.db2.gz NYPMJIYWPXFREA-INIZCTEOSA-N 2 2 348.491 1.080 20 0 EDADLP Cc1ccoc1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000343885145 444646111 /nfs/dbraw/zinc/64/61/11/444646111.db2.gz AQEXYSROJFADGO-UHFFFAOYSA-N 2 2 328.416 1.812 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@H]12 ZINC000333879220 444706675 /nfs/dbraw/zinc/70/66/75/444706675.db2.gz DCJCWQOFFRLBAN-HRCADAONSA-N 2 2 329.448 1.561 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C[C@H]1[NH3+] ZINC000333620701 444685849 /nfs/dbraw/zinc/68/58/49/444685849.db2.gz RQAPNPMSKACHFR-KCXZSRPNSA-N 2 2 338.402 1.699 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C[C@H]1[NH3+] ZINC000333620701 444685853 /nfs/dbraw/zinc/68/58/53/444685853.db2.gz RQAPNPMSKACHFR-KCXZSRPNSA-N 2 2 338.402 1.699 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000329702457 444686077 /nfs/dbraw/zinc/68/60/77/444686077.db2.gz IELGASLZNUWCFY-UHFFFAOYSA-N 2 2 345.472 1.902 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000329902986 444761502 /nfs/dbraw/zinc/76/15/02/444761502.db2.gz PVGHDTAEEMCKFC-UHFFFAOYSA-N 2 2 344.463 1.475 20 0 EDADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338633590 444784796 /nfs/dbraw/zinc/78/47/96/444784796.db2.gz QLZMCJAXTQSWNM-KBPBESRZSA-N 2 2 336.505 1.906 20 0 EDADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338633590 444784801 /nfs/dbraw/zinc/78/48/01/444784801.db2.gz QLZMCJAXTQSWNM-KBPBESRZSA-N 2 2 336.505 1.906 20 0 EDADLP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000344094933 444778929 /nfs/dbraw/zinc/77/89/29/444778929.db2.gz GUOSPZFFPFFKRR-ARFHVFGLSA-N 2 2 325.497 1.756 20 0 EDADLP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000344094933 444778932 /nfs/dbraw/zinc/77/89/32/444778932.db2.gz GUOSPZFFPFFKRR-ARFHVFGLSA-N 2 2 325.497 1.756 20 0 EDADLP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCS(=O)(=O)CC1 ZINC000329939621 444778927 /nfs/dbraw/zinc/77/89/27/444778927.db2.gz BDKZYFRCVSIEJO-OAHLLOKOSA-N 2 2 344.521 1.434 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ncnn1CCF ZINC000344126336 444795250 /nfs/dbraw/zinc/79/52/50/444795250.db2.gz HFDOWSODAAICKG-UHFFFAOYSA-N 2 2 326.464 1.097 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ncnn1CCF ZINC000344126336 444795255 /nfs/dbraw/zinc/79/52/55/444795255.db2.gz HFDOWSODAAICKG-UHFFFAOYSA-N 2 2 326.464 1.097 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000625541004 450417365 /nfs/dbraw/zinc/41/73/65/450417365.db2.gz SNNQLLJPQRRPAH-QGZVFWFLSA-N 3 2 349.523 1.486 20 0 EDADLP O[C@@H](COCc1cccs1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336869482 444813379 /nfs/dbraw/zinc/81/33/79/444813379.db2.gz CGLDDPUCMJUXFM-CQSZACIVSA-N 2 2 336.461 1.167 20 0 EDADLP C[C@@H]1C[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344178563 444823916 /nfs/dbraw/zinc/82/39/16/444823916.db2.gz UUGNJRRWFOCSHI-BHIYHBOVSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1C[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[N@H+]1C ZINC000344178563 444823918 /nfs/dbraw/zinc/82/39/18/444823918.db2.gz UUGNJRRWFOCSHI-BHIYHBOVSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC[N@@H+]1C ZINC000344182253 444825950 /nfs/dbraw/zinc/82/59/50/444825950.db2.gz ZWOVDGDSLHBUCA-CABCVRRESA-N 2 2 332.448 1.265 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC[N@H+]1C ZINC000344182253 444825954 /nfs/dbraw/zinc/82/59/54/444825954.db2.gz ZWOVDGDSLHBUCA-CABCVRRESA-N 2 2 332.448 1.265 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000344268038 444871982 /nfs/dbraw/zinc/87/19/82/444871982.db2.gz WCJJVRPFWWWLIZ-CRAIPNDOSA-N 2 2 327.432 1.904 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc4cccnc4s3)C2)CC1 ZINC000341638691 444928859 /nfs/dbraw/zinc/92/88/59/444928859.db2.gz SNLQFJBQIIEKPE-CQSZACIVSA-N 2 2 331.489 1.903 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc4cccnc4s3)C2)CC1 ZINC000341638691 444928863 /nfs/dbraw/zinc/92/88/63/444928863.db2.gz SNLQFJBQIIEKPE-CQSZACIVSA-N 2 2 331.489 1.903 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341628365 444925723 /nfs/dbraw/zinc/92/57/23/444925723.db2.gz QMADHUMXIYIPMB-KRWDZBQOSA-N 2 2 348.491 1.870 20 0 EDADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1C(F)F ZINC000341675394 444943164 /nfs/dbraw/zinc/94/31/64/444943164.db2.gz DUUHMDZJNMLCCF-UHFFFAOYSA-N 2 2 343.422 1.685 20 0 EDADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1C(F)F ZINC000341675394 444943166 /nfs/dbraw/zinc/94/31/66/444943166.db2.gz DUUHMDZJNMLCCF-UHFFFAOYSA-N 2 2 343.422 1.685 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)nc1 ZINC000338968766 444960861 /nfs/dbraw/zinc/96/08/61/444960861.db2.gz KBOHPJHSEYJFRC-FQEVSTJZSA-N 2 2 346.519 1.871 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nc1 ZINC000338968766 444960864 /nfs/dbraw/zinc/96/08/64/444960864.db2.gz KBOHPJHSEYJFRC-FQEVSTJZSA-N 2 2 346.519 1.871 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000337276835 445012543 /nfs/dbraw/zinc/01/25/43/445012543.db2.gz GNOQZQPJXAJZFK-HNNXBMFYSA-N 2 2 334.489 1.476 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000337276835 445012545 /nfs/dbraw/zinc/01/25/45/445012545.db2.gz GNOQZQPJXAJZFK-HNNXBMFYSA-N 2 2 334.489 1.476 20 0 EDADLP c1cn2c([nH+]1)CN(C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000341883974 445051717 /nfs/dbraw/zinc/05/17/17/445051717.db2.gz CAHDWYDWZFEHJQ-GOSISDBHSA-N 2 2 326.444 1.990 20 0 EDADLP c1cn2c([nH+]1)CN(C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000341883974 445051718 /nfs/dbraw/zinc/05/17/18/445051718.db2.gz CAHDWYDWZFEHJQ-GOSISDBHSA-N 2 2 326.444 1.990 20 0 EDADLP O=S1(=O)CCC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000341910278 445066943 /nfs/dbraw/zinc/06/69/43/445066943.db2.gz LFGBSINVYMCCSI-INMHGKMJSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CCC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000341910278 445066947 /nfs/dbraw/zinc/06/69/47/445066947.db2.gz LFGBSINVYMCCSI-INMHGKMJSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CCC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000341910278 445066954 /nfs/dbraw/zinc/06/69/54/445066954.db2.gz LFGBSINVYMCCSI-INMHGKMJSA-N 2 2 326.506 1.760 20 0 EDADLP OC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341910810 445068019 /nfs/dbraw/zinc/06/80/19/445068019.db2.gz MCGZDTYUEMLMAV-VQTJNVASSA-N 2 2 348.487 1.655 20 0 EDADLP OC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341910810 445068024 /nfs/dbraw/zinc/06/80/24/445068024.db2.gz MCGZDTYUEMLMAV-VQTJNVASSA-N 2 2 348.487 1.655 20 0 EDADLP COc1ccccc1[C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000337564199 445139876 /nfs/dbraw/zinc/13/98/76/445139876.db2.gz AKKOXLHTDJYOCQ-NVXWUHKLSA-N 2 2 347.459 1.136 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339243002 445109853 /nfs/dbraw/zinc/10/98/53/445109853.db2.gz SXYVEBKDXHKWBI-ROUUACIJSA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339243002 445109858 /nfs/dbraw/zinc/10/98/58/445109858.db2.gz SXYVEBKDXHKWBI-ROUUACIJSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nn3)C2)CC1 ZINC000337538354 445127014 /nfs/dbraw/zinc/12/70/14/445127014.db2.gz XKLMOWFCWBXLLR-IBGZPJMESA-N 2 2 340.475 1.479 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nn3)C2)CC1 ZINC000337538354 445127017 /nfs/dbraw/zinc/12/70/17/445127017.db2.gz XKLMOWFCWBXLLR-IBGZPJMESA-N 2 2 340.475 1.479 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+](C)C1CCCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339273209 445129758 /nfs/dbraw/zinc/12/97/58/445129758.db2.gz YFMXQVXFAOKLFW-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+](C)C1CCCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339273209 445129762 /nfs/dbraw/zinc/12/97/62/445129762.db2.gz YFMXQVXFAOKLFW-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCO[C@@H](CC)C1 ZINC000339273209 445129764 /nfs/dbraw/zinc/12/97/64/445129764.db2.gz YFMXQVXFAOKLFW-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCO[C@@H](CC)C1 ZINC000339273209 445129767 /nfs/dbraw/zinc/12/97/67/445129767.db2.gz YFMXQVXFAOKLFW-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP COC(=O)c1occc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000344989018 445155971 /nfs/dbraw/zinc/15/59/71/445155971.db2.gz YQXUJULPCCWYIN-OAHLLOKOSA-N 2 2 344.415 2.214 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)CCC[N@@H+]1C ZINC000343394616 445215092 /nfs/dbraw/zinc/21/50/92/445215092.db2.gz HCVACZBEDPXZST-SJLPKXTDSA-N 2 2 341.459 1.692 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)CCC[N@H+]1C ZINC000343394616 445215094 /nfs/dbraw/zinc/21/50/94/445215094.db2.gz HCVACZBEDPXZST-SJLPKXTDSA-N 2 2 341.459 1.692 20 0 EDADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000345672424 445195800 /nfs/dbraw/zinc/19/58/00/445195800.db2.gz FSQHNSNMTIFGQN-HLLBOEOZSA-N 2 2 336.480 1.141 20 0 EDADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000345672424 445195803 /nfs/dbraw/zinc/19/58/03/445195803.db2.gz FSQHNSNMTIFGQN-HLLBOEOZSA-N 2 2 336.480 1.141 20 0 EDADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343482163 445231134 /nfs/dbraw/zinc/23/11/34/445231134.db2.gz TVZZDRATGJECNC-RDJZCZTQSA-N 2 2 344.459 1.223 20 0 EDADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343482163 445231136 /nfs/dbraw/zinc/23/11/36/445231136.db2.gz TVZZDRATGJECNC-RDJZCZTQSA-N 2 2 344.459 1.223 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351760642 445311398 /nfs/dbraw/zinc/31/13/98/445311398.db2.gz VLGXFZJWBOKPEX-ULQDDVLXSA-N 2 2 325.497 1.532 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351760642 445311402 /nfs/dbraw/zinc/31/14/02/445311402.db2.gz VLGXFZJWBOKPEX-ULQDDVLXSA-N 2 2 325.497 1.532 20 0 EDADLP C[N@H+](CCn1cccn1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000348219819 445320293 /nfs/dbraw/zinc/32/02/93/445320293.db2.gz DTZPMTJNMSCYSO-UHFFFAOYSA-N 2 2 347.488 1.221 20 0 EDADLP C[N@@H+](CCn1cccn1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000348219819 445320295 /nfs/dbraw/zinc/32/02/95/445320295.db2.gz DTZPMTJNMSCYSO-UHFFFAOYSA-N 2 2 347.488 1.221 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000343673492 445295505 /nfs/dbraw/zinc/29/55/05/445295505.db2.gz RDWBLDIWCRNHAP-UHFFFAOYSA-N 2 2 349.450 1.835 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000351734559 445298902 /nfs/dbraw/zinc/29/89/02/445298902.db2.gz MSQOMVJWDZAHGL-MRXNPFEDSA-N 2 2 337.468 1.416 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000351857375 445344742 /nfs/dbraw/zinc/34/47/42/445344742.db2.gz XJSKECYUVNXCLE-STQMWFEESA-N 2 2 327.450 1.233 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000351857375 445344746 /nfs/dbraw/zinc/34/47/46/445344746.db2.gz XJSKECYUVNXCLE-STQMWFEESA-N 2 2 327.450 1.233 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000351864509 445347171 /nfs/dbraw/zinc/34/71/71/445347171.db2.gz YIWPUSAGZDINBG-WDEREUQCSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000351864509 445347174 /nfs/dbraw/zinc/34/71/74/445347174.db2.gz YIWPUSAGZDINBG-WDEREUQCSA-N 2 2 341.839 1.965 20 0 EDADLP CC[N@@H+](Cc1cn(C)nn1)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000359653345 445358093 /nfs/dbraw/zinc/35/80/93/445358093.db2.gz OJLCGMJPGAIBCI-MRXNPFEDSA-N 2 2 342.447 1.665 20 0 EDADLP CC[N@H+](Cc1cn(C)nn1)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000359653345 445358096 /nfs/dbraw/zinc/35/80/96/445358096.db2.gz OJLCGMJPGAIBCI-MRXNPFEDSA-N 2 2 342.447 1.665 20 0 EDADLP CCC[N@H+](C)CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000359680191 445371360 /nfs/dbraw/zinc/37/13/60/445371360.db2.gz YVUUJCLLRGKDCD-OAHLLOKOSA-N 2 2 339.505 1.922 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000359680191 445371363 /nfs/dbraw/zinc/37/13/63/445371363.db2.gz YVUUJCLLRGKDCD-OAHLLOKOSA-N 2 2 339.505 1.922 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348237428 445325270 /nfs/dbraw/zinc/32/52/70/445325270.db2.gz CZLBLDSLYYIMIX-WOJBJXKFSA-N 2 2 331.504 1.770 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357079060 445412838 /nfs/dbraw/zinc/41/28/38/445412838.db2.gz CKNMRIWWWLHHKK-MOPGFXCFSA-N 2 2 345.487 1.769 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357079060 445412841 /nfs/dbraw/zinc/41/28/41/445412841.db2.gz CKNMRIWWWLHHKK-MOPGFXCFSA-N 2 2 345.487 1.769 20 0 EDADLP CCCn1cc(C[NH2+]C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354856189 445428508 /nfs/dbraw/zinc/42/85/08/445428508.db2.gz JCGGCCDFOKVCJX-JKSUJKDBSA-N 2 2 334.443 1.729 20 0 EDADLP C[C@H](C[NH2+][C@@H](c1nccn1C)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000357023467 445380537 /nfs/dbraw/zinc/38/05/37/445380537.db2.gz IUINUKJGLYOMHA-CRAIPNDOSA-N 2 2 345.466 1.874 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000355333233 445455834 /nfs/dbraw/zinc/45/58/34/445455834.db2.gz KMXSXDJXPWRLBC-BZSNNMDCSA-N 2 2 337.508 1.888 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000355333233 445455837 /nfs/dbraw/zinc/45/58/37/445455837.db2.gz KMXSXDJXPWRLBC-BZSNNMDCSA-N 2 2 337.508 1.888 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000348967054 445459780 /nfs/dbraw/zinc/45/97/80/445459780.db2.gz UQZDDADZSFMEPC-LJQANCHMSA-N 2 2 345.487 1.931 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000348967054 445459784 /nfs/dbraw/zinc/45/97/84/445459784.db2.gz UQZDDADZSFMEPC-LJQANCHMSA-N 2 2 345.487 1.931 20 0 EDADLP CC(C)(CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000357162616 445461908 /nfs/dbraw/zinc/46/19/08/445461908.db2.gz IUFHUMFIKUNVPZ-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000357162616 445461911 /nfs/dbraw/zinc/46/19/11/445461911.db2.gz IUFHUMFIKUNVPZ-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C[C@@H]1Cc1ccccc1 ZINC000357175277 445467489 /nfs/dbraw/zinc/46/74/89/445467489.db2.gz FEKGHZFEFDQFLB-OALUTQOASA-N 2 2 327.472 1.999 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C[C@@H]1Cc1ccccc1 ZINC000357175277 445467492 /nfs/dbraw/zinc/46/74/92/445467492.db2.gz FEKGHZFEFDQFLB-OALUTQOASA-N 2 2 327.472 1.999 20 0 EDADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C[C@@H]1Cc1ccccc1 ZINC000357175277 445467495 /nfs/dbraw/zinc/46/74/95/445467495.db2.gz FEKGHZFEFDQFLB-OALUTQOASA-N 2 2 327.472 1.999 20 0 EDADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)C[C@@H]1Cc1ccccc1 ZINC000357175277 445467498 /nfs/dbraw/zinc/46/74/98/445467498.db2.gz FEKGHZFEFDQFLB-OALUTQOASA-N 2 2 327.472 1.999 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000352067026 445469317 /nfs/dbraw/zinc/46/93/17/445469317.db2.gz GHYCGPUOHUIULY-UHFFFAOYSA-N 2 2 342.387 1.207 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)CCOC3C[NH2+]C3)CC2)cc1 ZINC000348999425 445471199 /nfs/dbraw/zinc/47/11/99/445471199.db2.gz LOSJBJIDMTUHBZ-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357302345 445536329 /nfs/dbraw/zinc/53/63/29/445536329.db2.gz QFMXMKXPRPAJML-RKVPGOIHSA-N 2 2 331.460 1.635 20 0 EDADLP CC(C)C[C@@H](C)[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000355903944 445525134 /nfs/dbraw/zinc/52/51/34/445525134.db2.gz IIMHQRHFKXHJEZ-MRXNPFEDSA-N 2 2 333.480 1.870 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362743394 445527802 /nfs/dbraw/zinc/52/78/02/445527802.db2.gz XYRGRPJTDJJYDD-WBVHZDCISA-N 2 2 331.460 1.537 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362743394 445527805 /nfs/dbraw/zinc/52/78/05/445527805.db2.gz XYRGRPJTDJJYDD-WBVHZDCISA-N 2 2 331.460 1.537 20 0 EDADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362664643 445486515 /nfs/dbraw/zinc/48/65/15/445486515.db2.gz NANUQTBGHLEQKO-RDJZCZTQSA-N 2 2 331.460 1.695 20 0 EDADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362664643 445486517 /nfs/dbraw/zinc/48/65/17/445486517.db2.gz NANUQTBGHLEQKO-RDJZCZTQSA-N 2 2 331.460 1.695 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000349076059 445496117 /nfs/dbraw/zinc/49/61/17/445496117.db2.gz CLQBPSLWVVARSB-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000349076059 445496120 /nfs/dbraw/zinc/49/61/20/445496120.db2.gz CLQBPSLWVVARSB-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccccc3O)C2)CC1 ZINC000362791083 445551050 /nfs/dbraw/zinc/55/10/50/445551050.db2.gz FFPLTSKJLHQGMG-CQSZACIVSA-N 2 2 333.432 1.056 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccccc3O)C2)CC1 ZINC000362791083 445551052 /nfs/dbraw/zinc/55/10/52/445551052.db2.gz FFPLTSKJLHQGMG-CQSZACIVSA-N 2 2 333.432 1.056 20 0 EDADLP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000362796407 445553670 /nfs/dbraw/zinc/55/36/70/445553670.db2.gz UUOUNQSJYGMYBU-AWEZNQCLSA-N 2 2 328.420 1.551 20 0 EDADLP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000362796407 445553676 /nfs/dbraw/zinc/55/36/76/445553676.db2.gz UUOUNQSJYGMYBU-AWEZNQCLSA-N 2 2 328.420 1.551 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)Nc1cncc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000357321810 445547218 /nfs/dbraw/zinc/54/72/18/445547218.db2.gz BFLWPPYKPFUOSC-OKILXGFUSA-N 2 2 326.408 1.871 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353462438 445612920 /nfs/dbraw/zinc/61/29/20/445612920.db2.gz SLHRXIOZGXXMQT-SFHVURJKSA-N 3 2 336.524 1.345 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353462438 445612925 /nfs/dbraw/zinc/61/29/25/445612925.db2.gz SLHRXIOZGXXMQT-SFHVURJKSA-N 3 2 336.524 1.345 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)Cc1ccccc1Cl ZINC000356056886 445594254 /nfs/dbraw/zinc/59/42/54/445594254.db2.gz IOUGQKJSYBYZEJ-KRWDZBQOSA-N 2 2 339.867 1.345 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@]1(O)CC[NH+](C)C1)Cc1ccccc1Cl ZINC000356056886 445594258 /nfs/dbraw/zinc/59/42/58/445594258.db2.gz IOUGQKJSYBYZEJ-KRWDZBQOSA-N 2 2 339.867 1.345 20 0 EDADLP CC[NH+](CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)Cc1ccccc1Cl ZINC000356056886 445594263 /nfs/dbraw/zinc/59/42/63/445594263.db2.gz IOUGQKJSYBYZEJ-KRWDZBQOSA-N 2 2 339.867 1.345 20 0 EDADLP CC[NH+](CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)Cc1ccccc1Cl ZINC000356056886 445594268 /nfs/dbraw/zinc/59/42/68/445594268.db2.gz IOUGQKJSYBYZEJ-KRWDZBQOSA-N 2 2 339.867 1.345 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)[NH+](C)C)cc1 ZINC000356181387 445664823 /nfs/dbraw/zinc/66/48/23/445664823.db2.gz QHMKMIYEOMFFNG-AEFFLSMTSA-N 2 2 348.491 1.618 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCOC[C@H]2C)[NH+](C)C)cc1 ZINC000356181387 445664820 /nfs/dbraw/zinc/66/48/20/445664820.db2.gz QHMKMIYEOMFFNG-AEFFLSMTSA-N 2 2 348.491 1.618 20 0 EDADLP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000356270330 445710212 /nfs/dbraw/zinc/71/02/12/445710212.db2.gz ABGSZPHNZSQHFL-JSGCOSHPSA-N 2 2 329.400 1.997 20 0 EDADLP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000356270330 445710216 /nfs/dbraw/zinc/71/02/16/445710216.db2.gz ABGSZPHNZSQHFL-JSGCOSHPSA-N 2 2 329.400 1.997 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000349765519 445670874 /nfs/dbraw/zinc/67/08/74/445670874.db2.gz AQFKXDZSTLLWFQ-UHFFFAOYSA-N 2 2 342.528 1.861 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000349765519 445670878 /nfs/dbraw/zinc/67/08/78/445670878.db2.gz AQFKXDZSTLLWFQ-UHFFFAOYSA-N 2 2 342.528 1.861 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000356324695 445736357 /nfs/dbraw/zinc/73/63/57/445736357.db2.gz ZXWGESOOMKXADD-AEFFLSMTSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000356324695 445736359 /nfs/dbraw/zinc/73/63/59/445736359.db2.gz ZXWGESOOMKXADD-AEFFLSMTSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000356324695 445736360 /nfs/dbraw/zinc/73/63/60/445736360.db2.gz ZXWGESOOMKXADD-AEFFLSMTSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000356324695 445736362 /nfs/dbraw/zinc/73/63/62/445736362.db2.gz ZXWGESOOMKXADD-AEFFLSMTSA-N 2 2 337.508 1.724 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000349978094 445740357 /nfs/dbraw/zinc/74/03/57/445740357.db2.gz SLFLUTPAHLXINB-UHFFFAOYSA-N 2 2 343.431 1.549 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H](C)O1 ZINC000363266771 445747286 /nfs/dbraw/zinc/74/72/86/445747286.db2.gz WCJSVXTUKWZKLH-KFWWJZLASA-N 2 2 334.464 1.450 20 0 EDADLP COC(=O)c1coc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000350072202 445761935 /nfs/dbraw/zinc/76/19/35/445761935.db2.gz IIDPGDAHUCKLJI-LJQANCHMSA-N 2 2 344.411 1.793 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nccs2)C1 ZINC000350362882 445817043 /nfs/dbraw/zinc/81/70/43/445817043.db2.gz GENVVZKLMMIHCX-ZIAGYGMSSA-N 2 2 340.493 1.903 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2nccs2)C1 ZINC000350362882 445817049 /nfs/dbraw/zinc/81/70/49/445817049.db2.gz GENVVZKLMMIHCX-ZIAGYGMSSA-N 2 2 340.493 1.903 20 0 EDADLP C[NH+]1CCC(CNC(=O)Cc2ccc(N)cn2)([NH+]2CCCCC2)CC1 ZINC000358865583 445819377 /nfs/dbraw/zinc/81/93/77/445819377.db2.gz NBYYQMPAYFMWMU-UHFFFAOYSA-N 2 2 345.491 1.273 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCCCCn3cccn3)CCO2)CC1 ZINC000363493345 445829147 /nfs/dbraw/zinc/82/91/47/445829147.db2.gz OHJGOUMCOGAIOU-GOSISDBHSA-N 2 2 335.496 1.002 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCCCCn3cccn3)CCO2)CC1 ZINC000363493345 445829153 /nfs/dbraw/zinc/82/91/53/445829153.db2.gz OHJGOUMCOGAIOU-GOSISDBHSA-N 2 2 335.496 1.002 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167903 445784452 /nfs/dbraw/zinc/78/44/52/445784452.db2.gz XPRBFYCDLOVUCM-QGZVFWFLSA-N 3 2 348.535 1.393 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167903 445784454 /nfs/dbraw/zinc/78/44/54/445784454.db2.gz XPRBFYCDLOVUCM-QGZVFWFLSA-N 3 2 348.535 1.393 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167903 445784456 /nfs/dbraw/zinc/78/44/56/445784456.db2.gz XPRBFYCDLOVUCM-QGZVFWFLSA-N 3 2 348.535 1.393 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167903 445784458 /nfs/dbraw/zinc/78/44/58/445784458.db2.gz XPRBFYCDLOVUCM-QGZVFWFLSA-N 3 2 348.535 1.393 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000363422878 445797156 /nfs/dbraw/zinc/79/71/56/445797156.db2.gz JKXRXLSSKDCEAF-DJIMGWMZSA-N 2 2 342.443 1.954 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000363422878 445797157 /nfs/dbraw/zinc/79/71/57/445797157.db2.gz JKXRXLSSKDCEAF-DJIMGWMZSA-N 2 2 342.443 1.954 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000361532038 445806991 /nfs/dbraw/zinc/80/69/91/445806991.db2.gz VMXZQGGNRCVQOP-HZPDHXFCSA-N 2 2 346.475 1.907 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)N3CC[NH+](C)CC3)CC2)oc1C ZINC000363523354 445844147 /nfs/dbraw/zinc/84/41/47/445844147.db2.gz UOVXUPRNGXJQAW-UHFFFAOYSA-N 2 2 349.479 1.460 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000358916281 445846893 /nfs/dbraw/zinc/84/68/93/445846893.db2.gz RVNJVOMYENMYEF-KBPBESRZSA-N 2 2 336.461 1.887 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1ccnc(C[NH3+])c1)c1c(F)cccc1F ZINC000361625336 445853902 /nfs/dbraw/zinc/85/39/02/445853902.db2.gz FAXNGBMHSFQUST-OAHLLOKOSA-N 2 2 334.370 1.851 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361626831 445854823 /nfs/dbraw/zinc/85/48/23/445854823.db2.gz KGSBMXYYJZWSHO-UHFFFAOYSA-N 2 2 340.427 1.507 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000361667108 445869285 /nfs/dbraw/zinc/86/92/85/445869285.db2.gz MWAOZDBJKDQRGW-HZPDHXFCSA-N 2 2 334.464 1.766 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000361667108 445869289 /nfs/dbraw/zinc/86/92/89/445869289.db2.gz MWAOZDBJKDQRGW-HZPDHXFCSA-N 2 2 334.464 1.766 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000350750554 445897201 /nfs/dbraw/zinc/89/72/01/445897201.db2.gz ZETTVSRHNSEDIC-AEFFLSMTSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000350750554 445897205 /nfs/dbraw/zinc/89/72/05/445897205.db2.gz ZETTVSRHNSEDIC-AEFFLSMTSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000350750554 445897208 /nfs/dbraw/zinc/89/72/08/445897208.db2.gz ZETTVSRHNSEDIC-AEFFLSMTSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000350750554 445897212 /nfs/dbraw/zinc/89/72/12/445897212.db2.gz ZETTVSRHNSEDIC-AEFFLSMTSA-N 3 2 336.524 1.203 20 0 EDADLP CC[C@H](C)[C@@H](OC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000356638181 445903334 /nfs/dbraw/zinc/90/33/34/445903334.db2.gz UAURHGSCCQTGFQ-YQQAZPJKSA-N 2 2 325.497 1.674 20 0 EDADLP CC[C@H](C)[C@@H](OC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000356638181 445903338 /nfs/dbraw/zinc/90/33/38/445903338.db2.gz UAURHGSCCQTGFQ-YQQAZPJKSA-N 2 2 325.497 1.674 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000582295514 325814352 /nfs/dbraw/zinc/81/43/52/325814352.db2.gz VVZIZLAZMZUDID-QRQLOZEOSA-N 2 2 345.487 1.577 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000361763314 445923307 /nfs/dbraw/zinc/92/33/07/445923307.db2.gz HEEIPRJAYLTLBX-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000361763314 445923317 /nfs/dbraw/zinc/92/33/17/445923317.db2.gz HEEIPRJAYLTLBX-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000361763314 445923323 /nfs/dbraw/zinc/92/33/23/445923323.db2.gz HEEIPRJAYLTLBX-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000361763314 445923330 /nfs/dbraw/zinc/92/33/30/445923330.db2.gz HEEIPRJAYLTLBX-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000361763313 445923449 /nfs/dbraw/zinc/92/34/49/445923449.db2.gz HEEIPRJAYLTLBX-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000361763313 445923458 /nfs/dbraw/zinc/92/34/58/445923458.db2.gz HEEIPRJAYLTLBX-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000361763313 445923465 /nfs/dbraw/zinc/92/34/65/445923465.db2.gz HEEIPRJAYLTLBX-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000361763313 445923472 /nfs/dbraw/zinc/92/34/72/445923472.db2.gz HEEIPRJAYLTLBX-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366000558 445954303 /nfs/dbraw/zinc/95/43/03/445954303.db2.gz MDIYZQJWOAPRLM-HNNXBMFYSA-N 3 2 335.496 1.562 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CCC[N@H+](C)[C@@H]3C)CC2)cc[nH+]1 ZINC000354168530 445965390 /nfs/dbraw/zinc/96/53/90/445965390.db2.gz COJFIBZWQLTXHX-HIFRSBDPSA-N 2 2 332.452 1.099 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CCC[N@@H+](C)[C@@H]3C)CC2)cc[nH+]1 ZINC000354168530 445965396 /nfs/dbraw/zinc/96/53/96/445965396.db2.gz COJFIBZWQLTXHX-HIFRSBDPSA-N 2 2 332.452 1.099 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356736687 445977842 /nfs/dbraw/zinc/97/78/42/445977842.db2.gz GHJOOVROZUPYIR-INIZCTEOSA-N 2 2 333.476 1.977 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356736687 445977847 /nfs/dbraw/zinc/97/78/47/445977847.db2.gz GHJOOVROZUPYIR-INIZCTEOSA-N 2 2 333.476 1.977 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224704 446021376 /nfs/dbraw/zinc/02/13/76/446021376.db2.gz OSZODRDVIDNDGK-YJBOKZPZSA-N 3 2 336.524 1.534 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224704 446021381 /nfs/dbraw/zinc/02/13/81/446021381.db2.gz OSZODRDVIDNDGK-YJBOKZPZSA-N 3 2 336.524 1.534 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224704 446021386 /nfs/dbraw/zinc/02/13/86/446021386.db2.gz OSZODRDVIDNDGK-YJBOKZPZSA-N 3 2 336.524 1.534 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224704 446021392 /nfs/dbraw/zinc/02/13/92/446021392.db2.gz OSZODRDVIDNDGK-YJBOKZPZSA-N 3 2 336.524 1.534 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000366129349 446031048 /nfs/dbraw/zinc/03/10/48/446031048.db2.gz PCGHXNDTWDVYOF-CQSZACIVSA-N 2 2 331.464 1.927 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000366129349 446031050 /nfs/dbraw/zinc/03/10/50/446031050.db2.gz PCGHXNDTWDVYOF-CQSZACIVSA-N 2 2 331.464 1.927 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSC(F)(F)F)C2)CC1 ZINC000369272855 446038754 /nfs/dbraw/zinc/03/87/54/446038754.db2.gz DDYSNRKPNKDNCU-JTQLQIEISA-N 2 2 325.400 1.524 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSC(F)(F)F)C2)CC1 ZINC000369272855 446038760 /nfs/dbraw/zinc/03/87/60/446038760.db2.gz DDYSNRKPNKDNCU-JTQLQIEISA-N 2 2 325.400 1.524 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CCC[NH2+]CC2)[NH+]2CCOCC2)cc1 ZINC000583192994 326022801 /nfs/dbraw/zinc/02/28/01/326022801.db2.gz IRHJROGUPWGDHO-GOSISDBHSA-N 2 2 346.475 1.373 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)[C@@H](C[NH3+])C1 ZINC000583261696 326037045 /nfs/dbraw/zinc/03/70/45/326037045.db2.gz AZONWGKZIGLUND-INIZCTEOSA-N 2 2 327.428 1.981 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)[C@@H](C[NH3+])C1 ZINC000583261696 326037048 /nfs/dbraw/zinc/03/70/48/326037048.db2.gz AZONWGKZIGLUND-INIZCTEOSA-N 2 2 327.428 1.981 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000583434031 326071811 /nfs/dbraw/zinc/07/18/11/326071811.db2.gz IOVKHUGZVZXVKV-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000583434031 326071815 /nfs/dbraw/zinc/07/18/15/326071815.db2.gz IOVKHUGZVZXVKV-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)C1 ZINC000583633683 326108642 /nfs/dbraw/zinc/10/86/42/326108642.db2.gz RCDRGKCWXZZHJE-HDICACEKSA-N 2 2 336.439 1.998 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000583687778 326118520 /nfs/dbraw/zinc/11/85/20/326118520.db2.gz VBEDWQOVLHPUME-NVXWUHKLSA-N 2 2 346.475 1.598 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000583761988 326135831 /nfs/dbraw/zinc/13/58/31/326135831.db2.gz HZNIBAPAXGDJGK-MJGOQNOKSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000583761988 326135832 /nfs/dbraw/zinc/13/58/32/326135832.db2.gz HZNIBAPAXGDJGK-MJGOQNOKSA-N 2 2 345.487 1.826 20 0 EDADLP CC(C)(CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000365186884 446070153 /nfs/dbraw/zinc/07/01/53/446070153.db2.gz KFMXJBMMVBGJQF-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000365186884 446070160 /nfs/dbraw/zinc/07/01/60/446070160.db2.gz KFMXJBMMVBGJQF-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356846415 446066843 /nfs/dbraw/zinc/06/68/43/446066843.db2.gz HTHVJBDVMBWZDJ-HZPDHXFCSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356846415 446066848 /nfs/dbraw/zinc/06/68/48/446066848.db2.gz HTHVJBDVMBWZDJ-HZPDHXFCSA-N 2 2 331.460 1.683 20 0 EDADLP CCC[N@H+](C)CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000359239104 446071788 /nfs/dbraw/zinc/07/17/88/446071788.db2.gz GAWKXFSGUOMYBI-UHFFFAOYSA-N 2 2 329.448 1.320 20 0 EDADLP CCC[N@@H+](C)CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000359239104 446071793 /nfs/dbraw/zinc/07/17/93/446071793.db2.gz GAWKXFSGUOMYBI-UHFFFAOYSA-N 2 2 329.448 1.320 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000366189950 446072360 /nfs/dbraw/zinc/07/23/60/446072360.db2.gz BVUAQUDEWPXOEH-SFHVURJKSA-N 2 2 340.427 1.855 20 0 EDADLP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359299611 446133347 /nfs/dbraw/zinc/13/33/47/446133347.db2.gz GOQRIXOISUJUES-HLLBOEOZSA-N 2 2 331.460 1.804 20 0 EDADLP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359299611 446133353 /nfs/dbraw/zinc/13/33/53/446133353.db2.gz GOQRIXOISUJUES-HLLBOEOZSA-N 2 2 331.460 1.804 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1(F)F ZINC000359305236 446137749 /nfs/dbraw/zinc/13/77/49/446137749.db2.gz AXLPLIQRYONDRZ-ZIAGYGMSSA-N 2 2 329.435 1.954 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000359309188 446139565 /nfs/dbraw/zinc/13/95/65/446139565.db2.gz POKANPQNKMNWFE-IAGOWNOFSA-N 2 2 331.460 1.456 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351488885 446090344 /nfs/dbraw/zinc/09/03/44/446090344.db2.gz GMUQHQKMWLRZNG-RQJABVFESA-N 2 2 328.416 1.029 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351488885 446090351 /nfs/dbraw/zinc/09/03/51/446090351.db2.gz GMUQHQKMWLRZNG-RQJABVFESA-N 2 2 328.416 1.029 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]12 ZINC000351489413 446091705 /nfs/dbraw/zinc/09/17/05/446091705.db2.gz HAKSRLIYCKWUIM-ZMLRMANQSA-N 2 2 339.342 1.616 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@H]12 ZINC000351489413 446091710 /nfs/dbraw/zinc/09/17/10/446091710.db2.gz HAKSRLIYCKWUIM-ZMLRMANQSA-N 2 2 339.342 1.616 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2CN(CC(=O)Nc3nc(C[NH+]4CCCC4)cs3)C[C@@H]12 ZINC000351494063 446097305 /nfs/dbraw/zinc/09/73/05/446097305.db2.gz NDWAPZGMBFRVFS-NWANDNLSSA-N 2 2 349.504 1.347 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C(C)C ZINC000369360370 446102288 /nfs/dbraw/zinc/10/22/88/446102288.db2.gz WIWQIKXNLSOZAO-ZWKOTPCHSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)C ZINC000369360370 446102292 /nfs/dbraw/zinc/10/22/92/446102292.db2.gz WIWQIKXNLSOZAO-ZWKOTPCHSA-N 2 2 338.540 1.732 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000365277001 446121890 /nfs/dbraw/zinc/12/18/90/446121890.db2.gz IDKYWYFBKINCJC-UHFFFAOYSA-N 2 2 345.491 1.329 20 0 EDADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359291297 446126994 /nfs/dbraw/zinc/12/69/94/446126994.db2.gz SUWNUGUGOKUFTH-AGIUHOORSA-N 2 2 339.842 1.977 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354345746 446130153 /nfs/dbraw/zinc/13/01/53/446130153.db2.gz DIPKNOZQNVIJFH-QZTJIDSGSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354345746 446130157 /nfs/dbraw/zinc/13/01/57/446130157.db2.gz DIPKNOZQNVIJFH-QZTJIDSGSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000354345746 446130160 /nfs/dbraw/zinc/13/01/60/446130160.db2.gz DIPKNOZQNVIJFH-QZTJIDSGSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000354345746 446130166 /nfs/dbraw/zinc/13/01/66/446130166.db2.gz DIPKNOZQNVIJFH-QZTJIDSGSA-N 2 2 337.508 1.724 20 0 EDADLP CCCCOc1cccc(CNC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359311289 446141536 /nfs/dbraw/zinc/14/15/36/446141536.db2.gz ULFCMMKOINXOJK-IAGOWNOFSA-N 2 2 331.460 1.633 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000354423442 446193738 /nfs/dbraw/zinc/19/37/38/446193738.db2.gz SOPCPPOFIQWKPZ-HKUYNNGSSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000354423442 446193742 /nfs/dbraw/zinc/19/37/42/446193742.db2.gz SOPCPPOFIQWKPZ-HKUYNNGSSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000354423442 446193747 /nfs/dbraw/zinc/19/37/47/446193747.db2.gz SOPCPPOFIQWKPZ-HKUYNNGSSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000354423442 446193750 /nfs/dbraw/zinc/19/37/50/446193750.db2.gz SOPCPPOFIQWKPZ-HKUYNNGSSA-N 2 2 344.503 1.403 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)CC2 ZINC000373298503 446152430 /nfs/dbraw/zinc/15/24/30/446152430.db2.gz AXWKBVFCVFZUID-UHFFFAOYSA-N 2 2 345.422 1.988 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)CC2 ZINC000373298503 446152436 /nfs/dbraw/zinc/15/24/36/446152436.db2.gz AXWKBVFCVFZUID-UHFFFAOYSA-N 2 2 345.422 1.988 20 0 EDADLP Cn1ncc2c1nc(NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)[nH+]c2N ZINC000365462876 446219094 /nfs/dbraw/zinc/21/90/94/446219094.db2.gz QVLNIOCOTRQCCL-GWCFXTLKSA-N 2 2 343.460 2.112 20 0 EDADLP Cn1ncc2c1nc(NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)[nH+]c2N ZINC000365462876 446219097 /nfs/dbraw/zinc/21/90/97/446219097.db2.gz QVLNIOCOTRQCCL-GWCFXTLKSA-N 2 2 343.460 2.112 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000365462232 446219366 /nfs/dbraw/zinc/21/93/66/446219366.db2.gz WIJCWLNXMJDHEO-MRXNPFEDSA-N 2 2 342.447 1.749 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000365462232 446219369 /nfs/dbraw/zinc/21/93/69/446219369.db2.gz WIJCWLNXMJDHEO-MRXNPFEDSA-N 2 2 342.447 1.749 20 0 EDADLP c1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000365470612 446222626 /nfs/dbraw/zinc/22/26/26/446222626.db2.gz ITBOZAYCNCAMLZ-HRCADAONSA-N 2 2 329.448 1.234 20 0 EDADLP c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000365470612 446222627 /nfs/dbraw/zinc/22/26/27/446222627.db2.gz ITBOZAYCNCAMLZ-HRCADAONSA-N 2 2 329.448 1.234 20 0 EDADLP c1nc(N2CCOCC2)cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)[nH+]1 ZINC000365470612 446222628 /nfs/dbraw/zinc/22/26/28/446222628.db2.gz ITBOZAYCNCAMLZ-HRCADAONSA-N 2 2 329.448 1.234 20 0 EDADLP c1nc(N2CCOCC2)cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)[nH+]1 ZINC000365470612 446222629 /nfs/dbraw/zinc/22/26/29/446222629.db2.gz ITBOZAYCNCAMLZ-HRCADAONSA-N 2 2 329.448 1.234 20 0 EDADLP Cc1cccc(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)n1 ZINC000373467974 446227305 /nfs/dbraw/zinc/22/73/05/446227305.db2.gz IHGYLKNPJRMTSR-UHFFFAOYSA-N 2 2 332.492 1.319 20 0 EDADLP Cc1cccc(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)n1 ZINC000373467974 446227310 /nfs/dbraw/zinc/22/73/10/446227310.db2.gz IHGYLKNPJRMTSR-UHFFFAOYSA-N 2 2 332.492 1.319 20 0 EDADLP CCC[NH+]1CCC(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000373531147 446250330 /nfs/dbraw/zinc/25/03/30/446250330.db2.gz CXCBZQPTQXCMDO-UHFFFAOYSA-N 2 2 333.480 1.361 20 0 EDADLP CCC[NH+]1CCC(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000373531147 446250333 /nfs/dbraw/zinc/25/03/33/446250333.db2.gz CXCBZQPTQXCMDO-UHFFFAOYSA-N 2 2 333.480 1.361 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000373537124 446252550 /nfs/dbraw/zinc/25/25/50/446252550.db2.gz JBIQQIFCXQEUGF-WNHJNPCNSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000373537124 446252552 /nfs/dbraw/zinc/25/25/52/446252552.db2.gz JBIQQIFCXQEUGF-WNHJNPCNSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000373537124 446252554 /nfs/dbraw/zinc/25/25/54/446252554.db2.gz JBIQQIFCXQEUGF-WNHJNPCNSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000373537124 446252556 /nfs/dbraw/zinc/25/25/56/446252556.db2.gz JBIQQIFCXQEUGF-WNHJNPCNSA-N 2 2 347.503 1.573 20 0 EDADLP Cc1nc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)sc1C ZINC000359515239 446269821 /nfs/dbraw/zinc/26/98/21/446269821.db2.gz MNHAZNCTBRFFPD-UHFFFAOYSA-N 2 2 325.478 1.419 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000366589926 446271665 /nfs/dbraw/zinc/27/16/65/446271665.db2.gz GSCDCHQXUHUMLY-QWHCGFSZSA-N 2 2 335.370 1.614 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000366589926 446271669 /nfs/dbraw/zinc/27/16/69/446271669.db2.gz GSCDCHQXUHUMLY-QWHCGFSZSA-N 2 2 335.370 1.614 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000366592396 446272587 /nfs/dbraw/zinc/27/25/87/446272587.db2.gz IHMWNFOIWCRSJH-PBHICJAKSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000366592396 446272593 /nfs/dbraw/zinc/27/25/93/446272593.db2.gz IHMWNFOIWCRSJH-PBHICJAKSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000366592396 446272598 /nfs/dbraw/zinc/27/25/98/446272598.db2.gz IHMWNFOIWCRSJH-PBHICJAKSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000366592396 446272602 /nfs/dbraw/zinc/27/26/02/446272602.db2.gz IHMWNFOIWCRSJH-PBHICJAKSA-N 2 2 336.480 1.166 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000362254533 446288133 /nfs/dbraw/zinc/28/81/33/446288133.db2.gz GYBGMBSITJFDHW-SFHVURJKSA-N 2 2 338.540 1.642 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000362254533 446288138 /nfs/dbraw/zinc/28/81/38/446288138.db2.gz GYBGMBSITJFDHW-SFHVURJKSA-N 2 2 338.540 1.642 20 0 EDADLP C[C@@H](CN1CCOCC1)[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000362263742 446292585 /nfs/dbraw/zinc/29/25/85/446292585.db2.gz WYSSUJBPPXIBSS-KRWDZBQOSA-N 2 2 332.492 1.699 20 0 EDADLP C[C@@H](CN1CCOCC1)[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000362263742 446292589 /nfs/dbraw/zinc/29/25/89/446292589.db2.gz WYSSUJBPPXIBSS-KRWDZBQOSA-N 2 2 332.492 1.699 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000366672637 446303533 /nfs/dbraw/zinc/30/35/33/446303533.db2.gz CEXFNMRHAFWYLI-FUHWJXTLSA-N 2 2 346.475 1.271 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000366672637 446303537 /nfs/dbraw/zinc/30/35/37/446303537.db2.gz CEXFNMRHAFWYLI-FUHWJXTLSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000366700384 446315246 /nfs/dbraw/zinc/31/52/46/446315246.db2.gz KZOJEXDBIRJWIN-HZPDHXFCSA-N 2 2 343.537 1.607 20 0 EDADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000366700384 446315250 /nfs/dbraw/zinc/31/52/50/446315250.db2.gz KZOJEXDBIRJWIN-HZPDHXFCSA-N 2 2 343.537 1.607 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccccn3)CC2)CC1 ZINC000366798626 446357322 /nfs/dbraw/zinc/35/73/22/446357322.db2.gz WYHHVVNENBVQKD-MRXNPFEDSA-N 2 2 330.476 1.814 20 0 EDADLP C[NH2+]CCC1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000417516696 446360144 /nfs/dbraw/zinc/36/01/44/446360144.db2.gz HKFLISYIQVINGO-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCn3c[nH+]cc3C2)n1 ZINC000370678219 446382127 /nfs/dbraw/zinc/38/21/27/446382127.db2.gz VEEBHLFRZMVLTG-RDJZCZTQSA-N 2 2 342.447 2.309 20 0 EDADLP CN(C(=O)c1cccc(CO)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365895613 446393306 /nfs/dbraw/zinc/39/33/06/446393306.db2.gz MVUUARXZBRXQGE-SFHVURJKSA-N 2 2 331.460 1.419 20 0 EDADLP CN(C(=O)c1cccc(CO)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365895613 446393308 /nfs/dbraw/zinc/39/33/08/446393308.db2.gz MVUUARXZBRXQGE-SFHVURJKSA-N 2 2 331.460 1.419 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CCc3nnc[nH]3)CC2)CC1 ZINC000365904302 446396363 /nfs/dbraw/zinc/39/63/63/446396363.db2.gz FCLBRDRNJZHGQW-UHFFFAOYSA-N 2 2 348.495 1.050 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CCc3nc[nH]n3)CC2)CC1 ZINC000365904302 446396365 /nfs/dbraw/zinc/39/63/65/446396365.db2.gz FCLBRDRNJZHGQW-UHFFFAOYSA-N 2 2 348.495 1.050 20 0 EDADLP O=S(=O)(C1CC1)N1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000374834006 446411460 /nfs/dbraw/zinc/41/14/60/446411460.db2.gz RJCROQSCMFWHBG-UHFFFAOYSA-N 2 2 329.510 1.362 20 0 EDADLP O=S(=O)(C1CC1)N1CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000374834006 446411464 /nfs/dbraw/zinc/41/14/64/446411464.db2.gz RJCROQSCMFWHBG-UHFFFAOYSA-N 2 2 329.510 1.362 20 0 EDADLP CC(C)[NH+](CCCNC(=O)C1([NH+]2CCOCC2)CCC1)C(C)C ZINC000376285145 446413818 /nfs/dbraw/zinc/41/38/18/446413818.db2.gz LAGTZDBRDRQJTJ-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000420294105 446458223 /nfs/dbraw/zinc/45/82/23/446458223.db2.gz SJZQOZWVPGDIFE-HIFRSBDPSA-N 2 2 333.432 1.779 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000420294105 446458225 /nfs/dbraw/zinc/45/82/25/446458225.db2.gz SJZQOZWVPGDIFE-HIFRSBDPSA-N 2 2 333.432 1.779 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420315704 446481075 /nfs/dbraw/zinc/48/10/75/446481075.db2.gz XGJJWSLWAZMQIB-IHRRRGAJSA-N 2 2 333.432 1.660 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420315704 446481079 /nfs/dbraw/zinc/48/10/79/446481079.db2.gz XGJJWSLWAZMQIB-IHRRRGAJSA-N 2 2 333.432 1.660 20 0 EDADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000367013547 446461540 /nfs/dbraw/zinc/46/15/40/446461540.db2.gz AKJUWYFDWLJJCY-JKSUJKDBSA-N 2 2 331.526 1.464 20 0 EDADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000367013547 446461547 /nfs/dbraw/zinc/46/15/47/446461547.db2.gz AKJUWYFDWLJJCY-JKSUJKDBSA-N 2 2 331.526 1.464 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000367013547 446461553 /nfs/dbraw/zinc/46/15/53/446461553.db2.gz AKJUWYFDWLJJCY-JKSUJKDBSA-N 2 2 331.526 1.464 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000367013547 446461558 /nfs/dbraw/zinc/46/15/58/446461558.db2.gz AKJUWYFDWLJJCY-JKSUJKDBSA-N 2 2 331.526 1.464 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000420299723 446462028 /nfs/dbraw/zinc/46/20/28/446462028.db2.gz BLUIYEDBHNFULP-GJZGRUSLSA-N 2 2 333.432 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000420299723 446462033 /nfs/dbraw/zinc/46/20/33/446462033.db2.gz BLUIYEDBHNFULP-GJZGRUSLSA-N 2 2 333.432 1.252 20 0 EDADLP CN(C(=O)c1n[nH]c2c1CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829773 446463429 /nfs/dbraw/zinc/46/34/29/446463429.db2.gz IWVMQOGSRSOADC-OAHLLOKOSA-N 2 2 345.491 1.529 20 0 EDADLP CN(C(=O)c1n[nH]c2c1CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829773 446463435 /nfs/dbraw/zinc/46/34/35/446463435.db2.gz IWVMQOGSRSOADC-OAHLLOKOSA-N 2 2 345.491 1.529 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367020650 446467616 /nfs/dbraw/zinc/46/76/16/446467616.db2.gz NLSSRYDKXGMVNP-SJORKVTESA-N 2 2 338.540 1.497 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367020650 446467622 /nfs/dbraw/zinc/46/76/22/446467622.db2.gz NLSSRYDKXGMVNP-SJORKVTESA-N 2 2 338.540 1.497 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000418242255 446470285 /nfs/dbraw/zinc/47/02/85/446470285.db2.gz QTNBAQMRGJONCX-HIFRSBDPSA-N 2 2 327.432 1.829 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000418242255 446470289 /nfs/dbraw/zinc/47/02/89/446470289.db2.gz QTNBAQMRGJONCX-HIFRSBDPSA-N 2 2 327.432 1.829 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000420306269 446470277 /nfs/dbraw/zinc/47/02/77/446470277.db2.gz AKBLZXGIGVUTOQ-LSDHHAIUSA-N 2 2 325.453 1.134 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420306269 446470282 /nfs/dbraw/zinc/47/02/82/446470282.db2.gz AKBLZXGIGVUTOQ-LSDHHAIUSA-N 2 2 325.453 1.134 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311990 446475939 /nfs/dbraw/zinc/47/59/39/446475939.db2.gz HKKBXLYLPVSCHZ-MNOVXSKESA-N 2 2 331.399 1.506 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311990 446475944 /nfs/dbraw/zinc/47/59/44/446475944.db2.gz HKKBXLYLPVSCHZ-MNOVXSKESA-N 2 2 331.399 1.506 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)[nH+]1 ZINC000411299784 446478264 /nfs/dbraw/zinc/47/82/64/446478264.db2.gz VDRXNZPRILELTN-CABCVRRESA-N 2 2 332.448 1.934 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)n2)c(OC)c1 ZINC000420314355 446479799 /nfs/dbraw/zinc/47/97/99/446479799.db2.gz KSEZGTNIWTUCEV-KRWDZBQOSA-N 2 2 332.404 1.925 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)n2)c(OC)c1 ZINC000420314355 446479805 /nfs/dbraw/zinc/47/98/05/446479805.db2.gz KSEZGTNIWTUCEV-KRWDZBQOSA-N 2 2 332.404 1.925 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423306439 446482102 /nfs/dbraw/zinc/48/21/02/446482102.db2.gz TUOVJGDKVNRVRB-MRXNPFEDSA-N 2 2 338.415 1.428 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)[NH+]1CCOCC1 ZINC000423316717 446486347 /nfs/dbraw/zinc/48/63/47/446486347.db2.gz JZTBIHKCGNESDV-TZMCWYRMSA-N 2 2 326.466 1.006 20 0 EDADLP [NH3+][C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1c(F)cccc1F ZINC000423343250 446496241 /nfs/dbraw/zinc/49/62/41/446496241.db2.gz ZOWCHGGAQWRUBB-INIZCTEOSA-N 2 2 334.370 1.856 20 0 EDADLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000420336777 446506357 /nfs/dbraw/zinc/50/63/57/446506357.db2.gz KWWFZLVYFXWNGX-UHFFFAOYSA-N 2 2 329.448 1.969 20 0 EDADLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000420336777 446506363 /nfs/dbraw/zinc/50/63/63/446506363.db2.gz KWWFZLVYFXWNGX-UHFFFAOYSA-N 2 2 329.448 1.969 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCC2)CCO1 ZINC000432806584 446508245 /nfs/dbraw/zinc/50/82/45/446508245.db2.gz POHQAFAYEGLSCB-GDBMZVCRSA-N 2 2 335.452 1.425 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000423378105 446508681 /nfs/dbraw/zinc/50/86/81/446508681.db2.gz MFKBAEXFPUDGFV-DOTOQJQBSA-N 2 2 331.460 1.728 20 0 EDADLP C[NH2+]CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418325713 446498293 /nfs/dbraw/zinc/49/82/93/446498293.db2.gz JYDZWRKUZQSPRX-IRXDYDNUSA-N 3 2 339.528 1.184 20 0 EDADLP C[NH2+]CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418325713 446498299 /nfs/dbraw/zinc/49/82/99/446498299.db2.gz JYDZWRKUZQSPRX-IRXDYDNUSA-N 3 2 339.528 1.184 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423527846 446563002 /nfs/dbraw/zinc/56/30/02/446563002.db2.gz WCNLRDBMDRIXMA-DOIPELPJSA-N 3 2 342.531 1.780 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423527846 446563004 /nfs/dbraw/zinc/56/30/04/446563004.db2.gz WCNLRDBMDRIXMA-DOIPELPJSA-N 3 2 342.531 1.780 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000376479325 446520726 /nfs/dbraw/zinc/52/07/26/446520726.db2.gz SLTPYOSPSFUKTH-MRXNPFEDSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000376479325 446520734 /nfs/dbraw/zinc/52/07/34/446520734.db2.gz SLTPYOSPSFUKTH-MRXNPFEDSA-N 3 2 334.508 1.146 20 0 EDADLP c1[nH]nc2c1[C@H]([NH2+]CCC[NH+]1CCN(c3ncccn3)CC1)CCC2 ZINC000367600442 446566851 /nfs/dbraw/zinc/56/68/51/446566851.db2.gz JPNXPCQRYBVEQK-MRXNPFEDSA-N 2 2 341.463 1.379 20 0 EDADLP C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000411407486 446525475 /nfs/dbraw/zinc/52/54/75/446525475.db2.gz JCXBWDIBOWLGNM-QGZVFWFLSA-N 2 2 346.519 1.996 20 0 EDADLP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000411407486 446525482 /nfs/dbraw/zinc/52/54/82/446525482.db2.gz JCXBWDIBOWLGNM-QGZVFWFLSA-N 2 2 346.519 1.996 20 0 EDADLP C[C@H](C(=O)N(C)c1ccccc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000411407486 446525489 /nfs/dbraw/zinc/52/54/89/446525489.db2.gz JCXBWDIBOWLGNM-QGZVFWFLSA-N 2 2 346.519 1.996 20 0 EDADLP C[C@H](C(=O)N(C)c1ccccc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000411407486 446525497 /nfs/dbraw/zinc/52/54/97/446525497.db2.gz JCXBWDIBOWLGNM-QGZVFWFLSA-N 2 2 346.519 1.996 20 0 EDADLP [NH3+]C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)C1CCCCC1 ZINC000420355240 446536211 /nfs/dbraw/zinc/53/62/11/446536211.db2.gz FAVMDYQEUVWRRO-CQSZACIVSA-N 2 2 338.477 1.571 20 0 EDADLP C[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)cc1Cl ZINC000420357785 446538444 /nfs/dbraw/zinc/53/84/44/446538444.db2.gz SXNMDYQRWDIHER-KOLCDFICSA-N 2 2 334.247 1.422 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)cc1Cl ZINC000420357785 446538447 /nfs/dbraw/zinc/53/84/47/446538447.db2.gz SXNMDYQRWDIHER-KOLCDFICSA-N 2 2 334.247 1.422 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420363323 446542497 /nfs/dbraw/zinc/54/24/97/446542497.db2.gz JKONVBJFTKAXKZ-CYBMUJFWSA-N 2 2 339.461 1.970 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423468956 446548508 /nfs/dbraw/zinc/54/85/08/446548508.db2.gz KBGKJIUEDOEFMQ-KDOFPFPSSA-N 2 2 347.463 1.154 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420369615 446549182 /nfs/dbraw/zinc/54/91/82/446549182.db2.gz BVWGANQMNSJRGQ-OLZOCXBDSA-N 2 2 334.420 1.260 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420369615 446549190 /nfs/dbraw/zinc/54/91/90/446549190.db2.gz BVWGANQMNSJRGQ-OLZOCXBDSA-N 2 2 334.420 1.260 20 0 EDADLP CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)n1 ZINC000420374032 446552999 /nfs/dbraw/zinc/55/29/99/446552999.db2.gz ZXIGLROQCFGDKU-LLVKDONJSA-N 2 2 342.465 1.150 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420374254 446553066 /nfs/dbraw/zinc/55/30/66/446553066.db2.gz HHRHMVQAKVAOQZ-UKRRQHHQSA-N 2 2 332.448 1.292 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420374254 446553069 /nfs/dbraw/zinc/55/30/69/446553069.db2.gz HHRHMVQAKVAOQZ-UKRRQHHQSA-N 2 2 332.448 1.292 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418465506 446553826 /nfs/dbraw/zinc/55/38/26/446553826.db2.gz NHZGSQZLABHOPN-GJZGRUSLSA-N 2 2 349.479 1.828 20 0 EDADLP C[C@@H]1C[NH2+][C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000420392695 446568300 /nfs/dbraw/zinc/56/83/00/446568300.db2.gz JEEIFLVVWNSOQF-LSDHHAIUSA-N 2 2 336.505 1.075 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2CCC([NH+]3CCCC3)CC2)[nH+]1 ZINC000376622490 446610378 /nfs/dbraw/zinc/61/03/78/446610378.db2.gz KCURYDPJOSYEPK-OAHLLOKOSA-N 2 2 331.464 2.132 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCOc1ccccc1 ZINC000420398574 446571339 /nfs/dbraw/zinc/57/13/39/446571339.db2.gz NGOKAUYUWWLCKY-AEFFLSMTSA-N 2 2 331.460 1.646 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCOc1ccccc1 ZINC000420398574 446571346 /nfs/dbraw/zinc/57/13/46/446571346.db2.gz NGOKAUYUWWLCKY-AEFFLSMTSA-N 2 2 331.460 1.646 20 0 EDADLP CCN1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000433478430 446580772 /nfs/dbraw/zinc/58/07/72/446580772.db2.gz CFBSCKGXIJUDTO-KRWDZBQOSA-N 2 2 341.459 1.990 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC3([NH3+])CCC3)CC2)c1 ZINC000418529390 446581781 /nfs/dbraw/zinc/58/17/81/446581781.db2.gz TUTRMTATYVBAPV-OAHLLOKOSA-N 2 2 346.475 1.965 20 0 EDADLP [NH3+]C[C@H]1CCCCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000433496953 446582882 /nfs/dbraw/zinc/58/28/82/446582882.db2.gz HSVODAYQFMQDCJ-OAHLLOKOSA-N 2 2 336.505 1.206 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H]1C[NH3+] ZINC000420413972 446587667 /nfs/dbraw/zinc/58/76/67/446587667.db2.gz UEEKNHKPWSFFQP-CABCVRRESA-N 2 2 344.459 1.669 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H]1C[NH3+] ZINC000420413972 446587673 /nfs/dbraw/zinc/58/76/73/446587673.db2.gz UEEKNHKPWSFFQP-CABCVRRESA-N 2 2 344.459 1.669 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](C)CCC[NH3+])CC2 ZINC000423677969 446636610 /nfs/dbraw/zinc/63/66/10/446636610.db2.gz IJWSLOFKZSSFQW-CYBMUJFWSA-N 2 2 335.448 1.306 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](C)CCC[NH3+])CC2 ZINC000423677969 446636614 /nfs/dbraw/zinc/63/66/14/446636614.db2.gz IJWSLOFKZSSFQW-CYBMUJFWSA-N 2 2 335.448 1.306 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1Cl ZINC000423747599 446676760 /nfs/dbraw/zinc/67/67/60/446676760.db2.gz QLWVMCISRSTNAI-OAHLLOKOSA-N 2 2 339.867 1.657 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1Cl ZINC000423747599 446676767 /nfs/dbraw/zinc/67/67/67/446676767.db2.gz QLWVMCISRSTNAI-OAHLLOKOSA-N 2 2 339.867 1.657 20 0 EDADLP CN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368152190 446672900 /nfs/dbraw/zinc/67/29/00/446672900.db2.gz MWOVNZILXFBZIK-VXGBXAGGSA-N 2 2 325.350 1.514 20 0 EDADLP CN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368152190 446672905 /nfs/dbraw/zinc/67/29/05/446672905.db2.gz MWOVNZILXFBZIK-VXGBXAGGSA-N 2 2 325.350 1.514 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000434258499 446631947 /nfs/dbraw/zinc/63/19/47/446631947.db2.gz CSYXHSHGGUAQIL-HNNXBMFYSA-N 2 2 340.512 1.611 20 0 EDADLP CCN1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000418772357 446690562 /nfs/dbraw/zinc/69/05/62/446690562.db2.gz PTHQSXGBXVMLJM-CABCVRRESA-N 2 2 334.468 1.330 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368208787 446710657 /nfs/dbraw/zinc/71/06/57/446710657.db2.gz MXAHKALNTMEHLG-MRXNPFEDSA-N 2 2 327.432 1.741 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368208787 446710665 /nfs/dbraw/zinc/71/06/65/446710665.db2.gz MXAHKALNTMEHLG-MRXNPFEDSA-N 2 2 327.432 1.741 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423827180 446715583 /nfs/dbraw/zinc/71/55/83/446715583.db2.gz NJEJKQFJQFYDFL-HZUKXOBISA-N 2 2 327.375 1.190 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423827180 446715591 /nfs/dbraw/zinc/71/55/91/446715591.db2.gz NJEJKQFJQFYDFL-HZUKXOBISA-N 2 2 327.375 1.190 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423826152 446715872 /nfs/dbraw/zinc/71/58/72/446715872.db2.gz MGXBXICHAMXZIT-BBRMVZONSA-N 2 2 329.366 1.965 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)CC[NH2+]C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423826152 446715876 /nfs/dbraw/zinc/71/58/76/446715876.db2.gz MGXBXICHAMXZIT-BBRMVZONSA-N 2 2 329.366 1.965 20 0 EDADLP CN([C@H](C(N)=O)c1ccc(F)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371258703 446720226 /nfs/dbraw/zinc/72/02/26/446720226.db2.gz PLCFTFYXYDBBJB-MSOLQXFVSA-N 2 2 348.466 1.452 20 0 EDADLP CN([C@H](C(N)=O)c1ccc(F)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371258703 446720230 /nfs/dbraw/zinc/72/02/30/446720230.db2.gz PLCFTFYXYDBBJB-MSOLQXFVSA-N 2 2 348.466 1.452 20 0 EDADLP C[N@H+]([C@H](C(N)=O)c1ccc(F)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258703 446720234 /nfs/dbraw/zinc/72/02/34/446720234.db2.gz PLCFTFYXYDBBJB-MSOLQXFVSA-N 2 2 348.466 1.452 20 0 EDADLP C[N@@H+]([C@H](C(N)=O)c1ccc(F)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258703 446720237 /nfs/dbraw/zinc/72/02/37/446720237.db2.gz PLCFTFYXYDBBJB-MSOLQXFVSA-N 2 2 348.466 1.452 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H](O)c3ccccc3)C2)CC1 ZINC000376804324 446729688 /nfs/dbraw/zinc/72/96/88/446729688.db2.gz MHCBTPGMDPMXBE-AEFFLSMTSA-N 2 2 331.460 1.395 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H](O)c3ccccc3)C2)CC1 ZINC000376804324 446729692 /nfs/dbraw/zinc/72/96/92/446729692.db2.gz MHCBTPGMDPMXBE-AEFFLSMTSA-N 2 2 331.460 1.395 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@@H](C)CC[NH2+]3)CC2)cn1 ZINC000423753334 446683166 /nfs/dbraw/zinc/68/31/66/446683166.db2.gz GYIDNTWMERMHCD-DOTOQJQBSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@@H](C)CC[NH2+]3)CC2)cn1 ZINC000423753334 446683173 /nfs/dbraw/zinc/68/31/73/446683173.db2.gz GYIDNTWMERMHCD-DOTOQJQBSA-N 2 2 333.480 1.325 20 0 EDADLP C[C@@H]1C[N@H+](Cc2nc(-c3ccco3)no2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371305397 446761908 /nfs/dbraw/zinc/76/19/08/446761908.db2.gz YNEPZFRQWXPULP-CABCVRRESA-N 2 2 345.447 1.787 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371305397 446761916 /nfs/dbraw/zinc/76/19/16/446761916.db2.gz YNEPZFRQWXPULP-CABCVRRESA-N 2 2 345.447 1.787 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423926470 446776472 /nfs/dbraw/zinc/77/64/72/446776472.db2.gz PJRPJKXSCDXEIC-RFHZTLPTSA-N 2 2 342.484 1.806 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423926470 446776478 /nfs/dbraw/zinc/77/64/78/446776478.db2.gz PJRPJKXSCDXEIC-RFHZTLPTSA-N 2 2 342.484 1.806 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH+]2CCC[C@H]2C)CC1 ZINC000376886521 446777882 /nfs/dbraw/zinc/77/78/82/446777882.db2.gz HGWFCFDIUVNYJO-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH+]2CCC[C@H]2C)CC1 ZINC000376886521 446777886 /nfs/dbraw/zinc/77/78/86/446777886.db2.gz HGWFCFDIUVNYJO-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000376886521 446777891 /nfs/dbraw/zinc/77/78/91/446777891.db2.gz HGWFCFDIUVNYJO-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000376886521 446777894 /nfs/dbraw/zinc/77/78/94/446777894.db2.gz HGWFCFDIUVNYJO-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000376890070 446780852 /nfs/dbraw/zinc/78/08/52/446780852.db2.gz WQDKDKSUMXJVQA-KRWDZBQOSA-N 2 2 348.491 1.702 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000376890070 446780858 /nfs/dbraw/zinc/78/08/58/446780858.db2.gz WQDKDKSUMXJVQA-KRWDZBQOSA-N 2 2 348.491 1.702 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CSC[NH2+]1 ZINC000423930339 446782621 /nfs/dbraw/zinc/78/26/21/446782621.db2.gz KMBJBZDUOMKTHI-PMPSAXMXSA-N 2 2 335.473 1.179 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CSC[NH2+]1 ZINC000423930339 446782622 /nfs/dbraw/zinc/78/26/22/446782622.db2.gz KMBJBZDUOMKTHI-PMPSAXMXSA-N 2 2 335.473 1.179 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000423932494 446783744 /nfs/dbraw/zinc/78/37/44/446783744.db2.gz OVZXHCNECXIAND-YESZJQIVSA-N 2 2 333.476 1.890 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000423932494 446783749 /nfs/dbraw/zinc/78/37/49/446783749.db2.gz OVZXHCNECXIAND-YESZJQIVSA-N 2 2 333.476 1.890 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423934747 446785819 /nfs/dbraw/zinc/78/58/19/446785819.db2.gz ZQUKFPTYBFCNJZ-RBSFLKMASA-N 2 2 332.448 1.502 20 0 EDADLP CCCCNc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)nc(N)[nH+]1 ZINC000439153065 446809628 /nfs/dbraw/zinc/80/96/28/446809628.db2.gz CWZMNLAGYLAMBW-KGLIPLIRSA-N 2 2 336.484 1.552 20 0 EDADLP CCCCNc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)nc(N)[nH+]1 ZINC000439153065 446809633 /nfs/dbraw/zinc/80/96/33/446809633.db2.gz CWZMNLAGYLAMBW-KGLIPLIRSA-N 2 2 336.484 1.552 20 0 EDADLP Cc1cc(C)c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c[nH+]1 ZINC000454232239 446818167 /nfs/dbraw/zinc/81/81/67/446818167.db2.gz VOTMFBPPWUZTDO-QGZVFWFLSA-N 2 2 334.464 1.854 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCc4ncsc4C3)C2)CC1 ZINC000376998122 446849576 /nfs/dbraw/zinc/84/95/76/446849576.db2.gz SNBIJJAFCIYDJX-CYBMUJFWSA-N 2 2 349.504 1.379 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCc4ncsc4C3)C2)CC1 ZINC000376998122 446849579 /nfs/dbraw/zinc/84/95/79/446849579.db2.gz SNBIJJAFCIYDJX-CYBMUJFWSA-N 2 2 349.504 1.379 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)[nH+]c1 ZINC000454542692 446906433 /nfs/dbraw/zinc/90/64/33/446906433.db2.gz WYQDTDXAIYDTHU-ZIAGYGMSSA-N 2 2 328.420 2.394 20 0 EDADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)C(F)(F)F ZINC000420937834 446910546 /nfs/dbraw/zinc/91/05/46/446910546.db2.gz LPMPQZHDMHTAGD-OAHLLOKOSA-N 2 2 332.366 1.874 20 0 EDADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)C(F)(F)F ZINC000420937834 446910551 /nfs/dbraw/zinc/91/05/51/446910551.db2.gz LPMPQZHDMHTAGD-OAHLLOKOSA-N 2 2 332.366 1.874 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000375617797 446927144 /nfs/dbraw/zinc/92/71/44/446927144.db2.gz KFTBWLNHQMTCNM-KRWDZBQOSA-N 2 2 333.480 1.926 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000375617797 446927145 /nfs/dbraw/zinc/92/71/45/446927145.db2.gz KFTBWLNHQMTCNM-KRWDZBQOSA-N 2 2 333.480 1.926 20 0 EDADLP COCC[C@H]1COCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420961238 446933625 /nfs/dbraw/zinc/93/36/25/446933625.db2.gz HZVLQDNSGCDHEL-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP COCC[C@H]1COCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420961238 446933630 /nfs/dbraw/zinc/93/36/30/446933630.db2.gz HZVLQDNSGCDHEL-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960388 446930995 /nfs/dbraw/zinc/93/09/95/446930995.db2.gz GTXVYZAKYFQHPJ-QZTJIDSGSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960388 446931000 /nfs/dbraw/zinc/93/10/00/446931000.db2.gz GTXVYZAKYFQHPJ-QZTJIDSGSA-N 2 2 347.503 1.406 20 0 EDADLP CCC[C@H](C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1)[NH+](C)C ZINC000368576837 446953656 /nfs/dbraw/zinc/95/36/56/446953656.db2.gz QHWQYBUQXOJDNH-MRXNPFEDSA-N 2 2 335.496 1.668 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000442756714 446954394 /nfs/dbraw/zinc/95/43/94/446954394.db2.gz ADTXEXOXSKPFCE-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000442756714 446954395 /nfs/dbraw/zinc/95/43/95/446954395.db2.gz ADTXEXOXSKPFCE-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000371809632 446966001 /nfs/dbraw/zinc/96/60/01/446966001.db2.gz FFRUOVUYMWVBOL-YESZJQIVSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000371809632 446966009 /nfs/dbraw/zinc/96/60/09/446966009.db2.gz FFRUOVUYMWVBOL-YESZJQIVSA-N 2 2 346.475 1.212 20 0 EDADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000372108866 447006229 /nfs/dbraw/zinc/00/62/29/447006229.db2.gz UJSVZBWFHXGEKH-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000372108866 447006239 /nfs/dbraw/zinc/00/62/39/447006239.db2.gz UJSVZBWFHXGEKH-ZWKOTPCHSA-N 2 2 346.475 1.009 20 0 EDADLP COc1ccc(CC[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000368652321 447006358 /nfs/dbraw/zinc/00/63/58/447006358.db2.gz KTSGUKGRVVCDBN-LJQANCHMSA-N 2 2 333.476 1.186 20 0 EDADLP COc1ccc(CC[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000368652321 447006366 /nfs/dbraw/zinc/00/63/66/447006366.db2.gz KTSGUKGRVVCDBN-LJQANCHMSA-N 2 2 333.476 1.186 20 0 EDADLP C[N@H+](Cc1ccnc(N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375736818 447011088 /nfs/dbraw/zinc/01/10/88/447011088.db2.gz SHQPXZLAVWAFKA-IBGZPJMESA-N 2 2 326.444 1.733 20 0 EDADLP C[N@@H+](Cc1ccnc(N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375736818 447011093 /nfs/dbraw/zinc/01/10/93/447011093.db2.gz SHQPXZLAVWAFKA-IBGZPJMESA-N 2 2 326.444 1.733 20 0 EDADLP C[NH+](Cc1ccnc(N)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375736818 447011101 /nfs/dbraw/zinc/01/11/01/447011101.db2.gz SHQPXZLAVWAFKA-IBGZPJMESA-N 2 2 326.444 1.733 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372103679 447003408 /nfs/dbraw/zinc/00/34/08/447003408.db2.gz TWBHXVDOWBDHCO-YHWZYXNKSA-N 3 2 325.372 1.021 20 0 EDADLP Cc1ccc(NC(=O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000368681330 447032254 /nfs/dbraw/zinc/03/22/54/447032254.db2.gz WDNBPJPOGYKELL-UHFFFAOYSA-N 2 2 347.459 1.093 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000455115849 447056952 /nfs/dbraw/zinc/05/69/52/447056952.db2.gz MYCLFLPKEZXHSJ-KRWDZBQOSA-N 2 2 338.496 1.369 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CCC(Cl)(Cl)Cl)CC2)C(=O)C1 ZINC000372515511 447101819 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EDADLP C[N@H+](CCNC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CCCC1 ZINC000413235824 447085230 /nfs/dbraw/zinc/08/52/30/447085230.db2.gz JVTOBSMMHMSKCB-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+](CCNC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CCCC1 ZINC000413235824 447085235 /nfs/dbraw/zinc/08/52/35/447085235.db2.gz JVTOBSMMHMSKCB-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CN1CC[NH+](CC2(C)CCN(c3cc(NC4CC4)[nH+]cn3)CC2)CC1 ZINC000413237627 447086348 /nfs/dbraw/zinc/08/63/48/447086348.db2.gz ROSIMRRQLZRBCB-UHFFFAOYSA-N 2 2 344.507 1.905 20 0 EDADLP CN1CC[NH+](CC2(C)CCN(c3cc(NC4CC4)nc[nH+]3)CC2)CC1 ZINC000413237627 447086353 /nfs/dbraw/zinc/08/63/53/447086353.db2.gz ROSIMRRQLZRBCB-UHFFFAOYSA-N 2 2 344.507 1.905 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000377372341 447095557 /nfs/dbraw/zinc/09/55/57/447095557.db2.gz HTIWWPXTOZSZSZ-IRXDYDNUSA-N 2 2 347.507 1.806 20 0 EDADLP Cc1cc(C)c(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(C)[nH+]1 ZINC000455489626 447144424 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CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C[C@@H]1C ZINC000447233404 447269348 /nfs/dbraw/zinc/26/93/48/447269348.db2.gz ZJLIXEHHOZFXOU-ZFWWWQNUSA-N 2 2 332.448 1.968 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408027 447462650 /nfs/dbraw/zinc/46/26/50/447462650.db2.gz BZAJOJMVENLKFH-PMACEKPBSA-N 3 2 331.504 1.945 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408027 447462654 /nfs/dbraw/zinc/46/26/54/447462654.db2.gz BZAJOJMVENLKFH-PMACEKPBSA-N 3 2 331.504 1.945 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390718405 447496272 /nfs/dbraw/zinc/49/62/72/447496272.db2.gz YSERPZXXUMCGHT-OALUTQOASA-N 3 2 335.492 1.621 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390718405 447496275 /nfs/dbraw/zinc/49/62/75/447496275.db2.gz YSERPZXXUMCGHT-OALUTQOASA-N 3 2 335.492 1.621 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 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Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000416862232 447698466 /nfs/dbraw/zinc/69/84/66/447698466.db2.gz XVEPQPJAEYHWEU-JKSUJKDBSA-N 2 2 341.459 1.986 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416870656 447700691 /nfs/dbraw/zinc/70/06/91/447700691.db2.gz WMUVRJPUNHKNJA-MAUKXSAKSA-N 2 2 346.475 1.445 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C[C@H]1[NH3+] ZINC000416917842 447709443 /nfs/dbraw/zinc/70/94/43/447709443.db2.gz ROUYFPPQNOTEBW-KCPJHIHWSA-N 2 2 331.395 1.637 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416912279 447706166 /nfs/dbraw/zinc/70/61/66/447706166.db2.gz CLZFVVLIGMFAHU-UHFFFAOYSA-N 2 2 335.452 1.235 20 0 EDADLP C[C@@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000459399079 447652686 /nfs/dbraw/zinc/65/26/86/447652686.db2.gz BCTSYPPXRWANDF-CHWSQXEVSA-N 2 2 327.388 1.463 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000422586718 447655579 /nfs/dbraw/zinc/65/55/79/447655579.db2.gz GFUCOLYOMCZLNR-XJKSGUPXSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000422586718 447655586 /nfs/dbraw/zinc/65/55/86/447655586.db2.gz GFUCOLYOMCZLNR-XJKSGUPXSA-N 2 2 346.475 1.551 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422587876 447657089 /nfs/dbraw/zinc/65/70/89/447657089.db2.gz JFHAHLJNUVYACD-HNNXBMFYSA-N 2 2 332.448 1.115 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422587876 447657095 /nfs/dbraw/zinc/65/70/95/447657095.db2.gz JFHAHLJNUVYACD-HNNXBMFYSA-N 2 2 332.448 1.115 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1C ZINC000422626056 447675347 /nfs/dbraw/zinc/67/53/47/447675347.db2.gz DFNMMJQRCDIPLO-GYSYKLTISA-N 2 2 335.448 1.906 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1C ZINC000422626056 447675353 /nfs/dbraw/zinc/67/53/53/447675353.db2.gz DFNMMJQRCDIPLO-GYSYKLTISA-N 2 2 335.448 1.906 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960872 447677066 /nfs/dbraw/zinc/67/70/66/447677066.db2.gz OTUAXKVVLKEDKN-MRXNPFEDSA-N 2 2 335.448 1.506 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960872 447677070 /nfs/dbraw/zinc/67/70/70/447677070.db2.gz OTUAXKVVLKEDKN-MRXNPFEDSA-N 2 2 335.448 1.506 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960872 447677076 /nfs/dbraw/zinc/67/70/76/447677076.db2.gz OTUAXKVVLKEDKN-MRXNPFEDSA-N 2 2 335.448 1.506 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960872 447677080 /nfs/dbraw/zinc/67/70/80/447677080.db2.gz OTUAXKVVLKEDKN-MRXNPFEDSA-N 2 2 335.448 1.506 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC1CCCC1 ZINC000451091453 447679990 /nfs/dbraw/zinc/67/99/90/447679990.db2.gz JSNPJPYMLSMWOH-UHFFFAOYSA-N 2 2 345.553 1.854 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC1CCCC1 ZINC000451091453 447679999 /nfs/dbraw/zinc/67/99/99/447679999.db2.gz JSNPJPYMLSMWOH-UHFFFAOYSA-N 2 2 345.553 1.854 20 0 EDADLP C[C@H](O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428306773 447688701 /nfs/dbraw/zinc/68/87/01/447688701.db2.gz QTUARDXNBAWOFH-YESZJQIVSA-N 2 2 346.475 1.354 20 0 EDADLP C[C@H](O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428306773 447688704 /nfs/dbraw/zinc/68/87/04/447688704.db2.gz QTUARDXNBAWOFH-YESZJQIVSA-N 2 2 346.475 1.354 20 0 EDADLP c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(C[NH+]2CCOCC2)c1 ZINC000422696278 447718214 /nfs/dbraw/zinc/71/82/14/447718214.db2.gz RDUQRIFEWKFDEZ-UXHICEINSA-N 3 2 345.487 1.375 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000422698093 447719474 /nfs/dbraw/zinc/71/94/74/447719474.db2.gz XMNLBAYURZIPRW-GDBMZVCRSA-N 2 2 335.448 1.010 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2nc3c(s2)CCC3)CC1 ZINC000459630966 447725587 /nfs/dbraw/zinc/72/55/87/447725587.db2.gz HJTHIIHVKBNHNL-CHWSQXEVSA-N 2 2 336.505 1.835 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)[C@H]1CCCC[NH2+]1 ZINC000422738658 447734281 /nfs/dbraw/zinc/73/42/81/447734281.db2.gz JRALZJZIPVOSAW-HZPDHXFCSA-N 2 2 325.478 1.605 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH3+])CC2 ZINC000422849704 447769377 /nfs/dbraw/zinc/76/93/77/447769377.db2.gz CHNBZKYVOFKKKR-HOCLYGCPSA-N 2 2 347.459 1.306 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH3+])CC2 ZINC000422849704 447769382 /nfs/dbraw/zinc/76/93/82/447769382.db2.gz CHNBZKYVOFKKKR-HOCLYGCPSA-N 2 2 347.459 1.306 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422891032 447770739 /nfs/dbraw/zinc/77/07/39/447770739.db2.gz UKUYLHXJTIVMFU-KURKYZTESA-N 3 2 330.476 1.409 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422891032 447770742 /nfs/dbraw/zinc/77/07/42/447770742.db2.gz UKUYLHXJTIVMFU-KURKYZTESA-N 3 2 330.476 1.409 20 0 EDADLP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422891032 447770743 /nfs/dbraw/zinc/77/07/43/447770743.db2.gz UKUYLHXJTIVMFU-KURKYZTESA-N 2 2 330.476 1.409 20 0 EDADLP CC(C)COC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000496417830 447774954 /nfs/dbraw/zinc/77/49/54/447774954.db2.gz FSZTXCVXLYPOAS-INIZCTEOSA-N 2 2 327.469 1.242 20 0 EDADLP CC(C)COC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000496417830 447774958 /nfs/dbraw/zinc/77/49/58/447774958.db2.gz FSZTXCVXLYPOAS-INIZCTEOSA-N 2 2 327.469 1.242 20 0 EDADLP CC(C)COC(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000496417830 447774961 /nfs/dbraw/zinc/77/49/61/447774961.db2.gz FSZTXCVXLYPOAS-INIZCTEOSA-N 2 2 327.469 1.242 20 0 EDADLP CC(C)COC(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000496417830 447774963 /nfs/dbraw/zinc/77/49/63/447774963.db2.gz FSZTXCVXLYPOAS-INIZCTEOSA-N 2 2 327.469 1.242 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)CC[NH2+]CC1 ZINC000422970216 447783879 /nfs/dbraw/zinc/78/38/79/447783879.db2.gz VWFAJNRSFIUPFK-GJZGRUSLSA-N 3 2 334.464 1.672 20 0 EDADLP CCCCNC(=O)C1([NH2+]Cc2nc(C(C)(C)[NH3+])no2)CCCCC1 ZINC000431104378 447791648 /nfs/dbraw/zinc/79/16/48/447791648.db2.gz GAUZRMPRAZVBFG-UHFFFAOYSA-N 2 2 337.468 1.972 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423079914 447800739 /nfs/dbraw/zinc/80/07/39/447800739.db2.gz YUZWKNHTJAHWHF-XJKSGUPXSA-N 2 2 326.462 1.337 20 0 EDADLP COC(=O)c1c(C)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1F ZINC000569692311 447868358 /nfs/dbraw/zinc/86/83/58/447868358.db2.gz ZXLBGLSPHKISHB-LLVKDONJSA-N 2 2 338.383 1.027 20 0 EDADLP COC(=O)c1c(C)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1F ZINC000569692311 447868362 /nfs/dbraw/zinc/86/83/62/447868362.db2.gz ZXLBGLSPHKISHB-LLVKDONJSA-N 2 2 338.383 1.027 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCC3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000575672455 447879464 /nfs/dbraw/zinc/87/94/64/447879464.db2.gz NBJKQLIMHIBZED-GDBMZVCRSA-N 2 2 345.491 1.970 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCC3CC[NH+](C4CC4)CC3)[nH+]cn2)C1 ZINC000575672455 447879468 /nfs/dbraw/zinc/87/94/68/447879468.db2.gz NBJKQLIMHIBZED-GDBMZVCRSA-N 2 2 345.491 1.970 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211274 447999275 /nfs/dbraw/zinc/99/92/75/447999275.db2.gz NSGBLBRUEDPUEC-NXHRZFHOSA-N 2 2 346.475 1.327 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211274 447999281 /nfs/dbraw/zinc/99/92/81/447999281.db2.gz NSGBLBRUEDPUEC-NXHRZFHOSA-N 2 2 346.475 1.327 20 0 EDADLP CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)[C@@H]1c1c[nH+]cn1C ZINC000553791112 448005482 /nfs/dbraw/zinc/00/54/82/448005482.db2.gz FQFZHWFEAKCQKR-JJRVBVJISA-N 2 2 349.479 1.176 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000531058255 448010299 /nfs/dbraw/zinc/01/02/99/448010299.db2.gz PIRRKZBHLQNKJH-INIZCTEOSA-N 2 2 331.460 1.590 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000531058255 448010304 /nfs/dbraw/zinc/01/03/04/448010304.db2.gz PIRRKZBHLQNKJH-INIZCTEOSA-N 2 2 331.460 1.590 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000496903560 448020049 /nfs/dbraw/zinc/02/00/49/448020049.db2.gz RJDYORLFOPMYTF-HZPDHXFCSA-N 2 2 327.469 1.386 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000496903560 448020052 /nfs/dbraw/zinc/02/00/52/448020052.db2.gz RJDYORLFOPMYTF-HZPDHXFCSA-N 2 2 327.469 1.386 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000496903560 448020056 /nfs/dbraw/zinc/02/00/56/448020056.db2.gz RJDYORLFOPMYTF-HZPDHXFCSA-N 2 2 327.469 1.386 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000496903560 448020061 /nfs/dbraw/zinc/02/00/61/448020061.db2.gz RJDYORLFOPMYTF-HZPDHXFCSA-N 2 2 327.469 1.386 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)ccc2n1C ZINC000525793095 448025932 /nfs/dbraw/zinc/02/59/32/448025932.db2.gz SXVBGUDXEWLCOD-INIZCTEOSA-N 2 2 343.431 1.277 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H]3CCCC[C@@H]3C[NH3+])c[nH+]2)CC1 ZINC000497275409 448028978 /nfs/dbraw/zinc/02/89/78/448028978.db2.gz BUJOQEOEBACJBS-GDBMZVCRSA-N 2 2 347.463 1.899 20 0 EDADLP Cc1ccc(NCCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)[nH+]c1 ZINC000531250597 448047111 /nfs/dbraw/zinc/04/71/11/448047111.db2.gz PNLHQJBDQICPIB-UHFFFAOYSA-N 2 2 337.387 1.598 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000531257383 448047684 /nfs/dbraw/zinc/04/76/84/448047684.db2.gz AIOZXRNVBSODCV-INIZCTEOSA-N 2 2 330.432 1.276 20 0 EDADLP CCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500408744 448088072 /nfs/dbraw/zinc/08/80/72/448088072.db2.gz INTCDVWXZKACMS-HLLBOEOZSA-N 2 2 335.496 1.650 20 0 EDADLP CCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500408744 448088074 /nfs/dbraw/zinc/08/80/74/448088074.db2.gz INTCDVWXZKACMS-HLLBOEOZSA-N 2 2 335.496 1.650 20 0 EDADLP CCCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000500408744 448088078 /nfs/dbraw/zinc/08/80/78/448088078.db2.gz INTCDVWXZKACMS-HLLBOEOZSA-N 2 2 335.496 1.650 20 0 EDADLP CCCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000500408744 448088080 /nfs/dbraw/zinc/08/80/80/448088080.db2.gz INTCDVWXZKACMS-HLLBOEOZSA-N 2 2 335.496 1.650 20 0 EDADLP CCCOCc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570784752 448062983 /nfs/dbraw/zinc/06/29/83/448062983.db2.gz ROUXPFMXBSXPLP-KRWDZBQOSA-N 2 2 334.464 1.398 20 0 EDADLP CCCOCc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570784752 448062989 /nfs/dbraw/zinc/06/29/89/448062989.db2.gz ROUXPFMXBSXPLP-KRWDZBQOSA-N 2 2 334.464 1.398 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000511906656 448154355 /nfs/dbraw/zinc/15/43/55/448154355.db2.gz PZLBUBPBGAMXLE-YESZJQIVSA-N 2 2 338.496 1.365 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000511906656 448154359 /nfs/dbraw/zinc/15/43/59/448154359.db2.gz PZLBUBPBGAMXLE-YESZJQIVSA-N 2 2 338.496 1.365 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000526982570 448131498 /nfs/dbraw/zinc/13/14/98/448131498.db2.gz AIRWLHUCSZMLOP-UHFFFAOYSA-N 2 2 325.416 1.933 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000526982570 448131503 /nfs/dbraw/zinc/13/15/03/448131503.db2.gz AIRWLHUCSZMLOP-UHFFFAOYSA-N 2 2 325.416 1.933 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000571346065 448139581 /nfs/dbraw/zinc/13/95/81/448139581.db2.gz ZLUYJLYFYSBKII-UHFFFAOYSA-N 2 2 343.431 1.636 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000571346065 448139586 /nfs/dbraw/zinc/13/95/86/448139586.db2.gz ZLUYJLYFYSBKII-UHFFFAOYSA-N 2 2 343.431 1.636 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NC3C[NH+](C(C)C)C3)c2)cc[nH+]1 ZINC000556715309 448141455 /nfs/dbraw/zinc/14/14/55/448141455.db2.gz KZOOBGJPULOZEP-UHFFFAOYSA-N 2 2 339.443 2.220 20 0 EDADLP C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CC[NH2+]C1 ZINC000576943438 448177867 /nfs/dbraw/zinc/17/78/67/448177867.db2.gz IEONKCYSHXYIPR-MRXNPFEDSA-N 2 2 330.432 1.436 20 0 EDADLP C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CC[NH2+]C1 ZINC000576943438 448177872 /nfs/dbraw/zinc/17/78/72/448177872.db2.gz IEONKCYSHXYIPR-MRXNPFEDSA-N 2 2 330.432 1.436 20 0 EDADLP COc1cccc(C[C@H](C)[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000571634092 448182520 /nfs/dbraw/zinc/18/25/20/448182520.db2.gz IEKZLFHIICJOGR-LHHMISFZSA-N 2 2 336.476 1.686 20 0 EDADLP Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577044302 448198522 /nfs/dbraw/zinc/19/85/22/448198522.db2.gz KKQOFJQMFKNGSY-OAHLLOKOSA-N 2 2 328.420 1.287 20 0 EDADLP Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577044302 448198525 /nfs/dbraw/zinc/19/85/25/448198525.db2.gz KKQOFJQMFKNGSY-OAHLLOKOSA-N 2 2 328.420 1.287 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000582428680 448237821 /nfs/dbraw/zinc/23/78/21/448237821.db2.gz WFEZMNARHQSEJG-WMLDXEAASA-N 2 2 326.444 1.705 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000582428680 448237825 /nfs/dbraw/zinc/23/78/25/448237825.db2.gz WFEZMNARHQSEJG-WMLDXEAASA-N 2 2 326.444 1.705 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[NH2+]CC3)c[nH+]2)C[C@H](C)O1 ZINC000514923495 448224853 /nfs/dbraw/zinc/22/48/53/448224853.db2.gz CBGCRDXLMVJCFT-GASCZTMLSA-N 2 2 347.463 1.200 20 0 EDADLP Cn1cc(-c2ncc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cn2)cn1 ZINC000527512727 448243416 /nfs/dbraw/zinc/24/34/16/448243416.db2.gz OBWBXUBEQOAVJD-NVXWUHKLSA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cn2)cn1 ZINC000527512727 448243421 /nfs/dbraw/zinc/24/34/21/448243421.db2.gz OBWBXUBEQOAVJD-NVXWUHKLSA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cn2)cn1 ZINC000527512727 448243425 /nfs/dbraw/zinc/24/34/25/448243425.db2.gz OBWBXUBEQOAVJD-NVXWUHKLSA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cn2)cn1 ZINC000527512727 448243426 /nfs/dbraw/zinc/24/34/26/448243426.db2.gz OBWBXUBEQOAVJD-NVXWUHKLSA-N 2 2 326.448 1.793 20 0 EDADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2c(OC)cccc2OC)C1 ZINC000515166011 448267951 /nfs/dbraw/zinc/26/79/51/448267951.db2.gz SXNOTLOADDKUNB-GJZGRUSLSA-N 2 2 338.448 1.517 20 0 EDADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2c(OC)cccc2OC)C1 ZINC000515166011 448267953 /nfs/dbraw/zinc/26/79/53/448267953.db2.gz SXNOTLOADDKUNB-GJZGRUSLSA-N 2 2 338.448 1.517 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2cc(Cl)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000515299064 448285952 /nfs/dbraw/zinc/28/59/52/448285952.db2.gz IVNYWJUZRNGSJX-NSHDSACASA-N 2 2 332.231 1.474 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2cc(Cl)ccc2Cl)[C@@H](C[NH3+])C1 ZINC000515299064 448285959 /nfs/dbraw/zinc/28/59/59/448285959.db2.gz IVNYWJUZRNGSJX-NSHDSACASA-N 2 2 332.231 1.474 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000591275577 448304145 /nfs/dbraw/zinc/30/41/45/448304145.db2.gz FLVFASWJRPAQMN-HOCLYGCPSA-N 2 2 339.480 1.298 20 0 EDADLP COCC(=O)Nc1cccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000577625038 448344628 /nfs/dbraw/zinc/34/46/28/448344628.db2.gz LFNSAEJTPZFYTB-UHFFFAOYSA-N 2 2 331.420 1.361 20 0 EDADLP C[C@@H](Cc1ccncc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000493062565 448359052 /nfs/dbraw/zinc/35/90/52/448359052.db2.gz ZNTKDJAZOUTGDV-INIZCTEOSA-N 2 2 347.507 1.680 20 0 EDADLP C[C@@H](Cc1ccncc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000493062565 448359058 /nfs/dbraw/zinc/35/90/58/448359058.db2.gz ZNTKDJAZOUTGDV-INIZCTEOSA-N 2 2 347.507 1.680 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000591426252 448360374 /nfs/dbraw/zinc/36/03/74/448360374.db2.gz XHRPLDBKDWOPPK-QZTJIDSGSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000591426252 448360379 /nfs/dbraw/zinc/36/03/79/448360379.db2.gz XHRPLDBKDWOPPK-QZTJIDSGSA-N 2 2 331.460 1.436 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)nc[nH+]1 ZINC000577719254 448367040 /nfs/dbraw/zinc/36/70/40/448367040.db2.gz SJGVDLMZXFBTGS-ZIAGYGMSSA-N 2 2 342.447 1.796 20 0 EDADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)CC)ccc2NC1=O ZINC000572254426 448328361 /nfs/dbraw/zinc/32/83/61/448328361.db2.gz NYBSIGRLBZMJFS-NOLJZWGESA-N 2 2 335.448 1.759 20 0 EDADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CC)ccc2NC1=O ZINC000572254426 448328368 /nfs/dbraw/zinc/32/83/68/448328368.db2.gz NYBSIGRLBZMJFS-NOLJZWGESA-N 2 2 335.448 1.759 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(N3CCCCC3=O)c2)[C@@H](C[NH3+])C1 ZINC000515614407 448333492 /nfs/dbraw/zinc/33/34/92/448333492.db2.gz PIXVIZBGZVSEMK-INIZCTEOSA-N 2 2 345.447 1.310 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(N3CCCCC3=O)c2)[C@@H](C[NH3+])C1 ZINC000515614407 448333500 /nfs/dbraw/zinc/33/35/00/448333500.db2.gz PIXVIZBGZVSEMK-INIZCTEOSA-N 2 2 345.447 1.310 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCN3CCSCC3)c2cc1C ZINC000515638216 448336510 /nfs/dbraw/zinc/33/65/10/448336510.db2.gz WYVFMHNZKHJJBE-INIZCTEOSA-N 2 2 348.516 1.652 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1=O ZINC000516188668 448395371 /nfs/dbraw/zinc/39/53/71/448395371.db2.gz OHUBKKOBRKZMLT-UONOGXRCSA-N 2 2 347.463 1.094 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1=O ZINC000516188668 448395375 /nfs/dbraw/zinc/39/53/75/448395375.db2.gz OHUBKKOBRKZMLT-UONOGXRCSA-N 2 2 347.463 1.094 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000527974991 448403072 /nfs/dbraw/zinc/40/30/72/448403072.db2.gz PTYCMSYXHXALPZ-GASCZTMLSA-N 2 2 343.431 1.517 20 0 EDADLP C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)sc2C1 ZINC000582901375 448373711 /nfs/dbraw/zinc/37/37/11/448373711.db2.gz CVJSNHHVOXUZDZ-ZDUSSCGKSA-N 2 2 328.441 1.957 20 0 EDADLP C[N@H+]1CCc2nc(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)sc2C1 ZINC000582901375 448373713 /nfs/dbraw/zinc/37/37/13/448373713.db2.gz CVJSNHHVOXUZDZ-ZDUSSCGKSA-N 2 2 328.441 1.957 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000577741430 448375255 /nfs/dbraw/zinc/37/52/55/448375255.db2.gz KMNWCBFZTBDZTP-LZWOXQAQSA-N 2 2 338.448 1.264 20 0 EDADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000572706848 448443065 /nfs/dbraw/zinc/44/30/65/448443065.db2.gz SEZRNUOLOSVKSM-DZGCQCFKSA-N 2 2 337.489 1.634 20 0 EDADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000572706848 448443069 /nfs/dbraw/zinc/44/30/69/448443069.db2.gz SEZRNUOLOSVKSM-DZGCQCFKSA-N 2 2 337.489 1.634 20 0 EDADLP O=C1NCC[C@]12CCC[N@@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000566425049 448465570 /nfs/dbraw/zinc/46/55/70/448465570.db2.gz RKKXXIRNGOGAIZ-LJQANCHMSA-N 2 2 329.444 1.373 20 0 EDADLP O=C1NCC[C@]12CCC[N@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000566425049 448465575 /nfs/dbraw/zinc/46/55/75/448465575.db2.gz RKKXXIRNGOGAIZ-LJQANCHMSA-N 2 2 329.444 1.373 20 0 EDADLP OC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000516771074 448471941 /nfs/dbraw/zinc/47/19/41/448471941.db2.gz YHMZQDIJWPQVIK-WOJBJXKFSA-N 2 2 341.455 1.166 20 0 EDADLP OC[C@@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000516771074 448471942 /nfs/dbraw/zinc/47/19/42/448471942.db2.gz YHMZQDIJWPQVIK-WOJBJXKFSA-N 2 2 341.455 1.166 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000584359220 448498356 /nfs/dbraw/zinc/49/83/56/448498356.db2.gz VHPOKLDVVGEQJC-HKUYNNGSSA-N 3 2 344.503 1.451 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000584359220 448498359 /nfs/dbraw/zinc/49/83/59/448498359.db2.gz VHPOKLDVVGEQJC-HKUYNNGSSA-N 3 2 344.503 1.451 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000584359222 448498788 /nfs/dbraw/zinc/49/87/88/448498788.db2.gz VHPOKLDVVGEQJC-MJGOQNOKSA-N 3 2 344.503 1.451 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000584359222 448498795 /nfs/dbraw/zinc/49/87/95/448498795.db2.gz VHPOKLDVVGEQJC-MJGOQNOKSA-N 3 2 344.503 1.451 20 0 EDADLP O=C1[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528390078 448508942 /nfs/dbraw/zinc/50/89/42/448508942.db2.gz NPGOVZYVIOLLNH-WMZOPIPTSA-N 2 2 335.492 1.574 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCN2C1=O ZINC000516980961 448516567 /nfs/dbraw/zinc/51/65/67/448516567.db2.gz FLMOAFUPWQFYNM-DZGCQCFKSA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCN2C1=O ZINC000516980961 448516574 /nfs/dbraw/zinc/51/65/74/448516574.db2.gz FLMOAFUPWQFYNM-DZGCQCFKSA-N 2 2 346.818 1.739 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000517298739 448569276 /nfs/dbraw/zinc/56/92/76/448569276.db2.gz AGBWRSOLAZLCTN-HUUCEWRRSA-N 2 2 349.479 1.623 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000517298739 448569278 /nfs/dbraw/zinc/56/92/78/448569278.db2.gz AGBWRSOLAZLCTN-HUUCEWRRSA-N 2 2 349.479 1.623 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566856152 448572634 /nfs/dbraw/zinc/57/26/34/448572634.db2.gz OTFQFKLHVIHQEQ-IFXJQAMLSA-N 2 2 344.459 1.449 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566856152 448572640 /nfs/dbraw/zinc/57/26/40/448572640.db2.gz OTFQFKLHVIHQEQ-IFXJQAMLSA-N 2 2 344.459 1.449 20 0 EDADLP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000578435657 448544205 /nfs/dbraw/zinc/54/42/05/448544205.db2.gz MBUUSKUPQXMRTP-KRWDZBQOSA-N 2 2 344.411 1.749 20 0 EDADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)ccn1 ZINC000578457387 448551654 /nfs/dbraw/zinc/55/16/54/448551654.db2.gz REHFPNALJRDSGG-AWEZNQCLSA-N 2 2 334.464 1.684 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000584721572 448609902 /nfs/dbraw/zinc/60/99/02/448609902.db2.gz BNSYLJGHNZBHEW-INIZCTEOSA-N 2 2 340.427 1.916 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000517667546 448602996 /nfs/dbraw/zinc/60/29/96/448602996.db2.gz SXRRGASGGPKPEA-AWEZNQCLSA-N 2 2 327.494 1.750 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000517667546 448603000 /nfs/dbraw/zinc/60/30/00/448603000.db2.gz SXRRGASGGPKPEA-AWEZNQCLSA-N 2 2 327.494 1.750 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000528614899 448603305 /nfs/dbraw/zinc/60/33/05/448603305.db2.gz MYKQWYLYZVOEAD-UHFFFAOYSA-N 2 2 326.466 1.082 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000528728616 448648305 /nfs/dbraw/zinc/64/83/05/448648305.db2.gz KQJANQAOSTVKNJ-BRWVUGGUSA-N 2 2 335.492 1.620 20 0 EDADLP C[C@H]1C[NH+](CCN2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000528730880 448651599 /nfs/dbraw/zinc/65/15/99/448651599.db2.gz VKGCBNRMLNVNPF-IRXDYDNUSA-N 2 2 325.497 1.282 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000584847282 448654306 /nfs/dbraw/zinc/65/43/06/448654306.db2.gz JRQXXUREXMZWIZ-AWEZNQCLSA-N 2 2 334.464 1.337 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000584847282 448654312 /nfs/dbraw/zinc/65/43/12/448654312.db2.gz JRQXXUREXMZWIZ-AWEZNQCLSA-N 2 2 334.464 1.337 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000567278736 448656580 /nfs/dbraw/zinc/65/65/80/448656580.db2.gz IASRKQOWYDQDKI-DJIMGWMZSA-N 2 2 337.489 1.130 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000567278736 448656585 /nfs/dbraw/zinc/65/65/85/448656585.db2.gz IASRKQOWYDQDKI-DJIMGWMZSA-N 2 2 337.489 1.130 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c[nH+]1 ZINC000573587142 448665191 /nfs/dbraw/zinc/66/51/91/448665191.db2.gz YYHVFJSCDFXDOZ-INIZCTEOSA-N 2 2 325.416 1.648 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c[nH+]1 ZINC000573587142 448665197 /nfs/dbraw/zinc/66/51/97/448665197.db2.gz YYHVFJSCDFXDOZ-INIZCTEOSA-N 2 2 325.416 1.648 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)CC1 ZINC000567349510 448672258 /nfs/dbraw/zinc/67/22/58/448672258.db2.gz RBISVVHIVMEDFJ-UHFFFAOYSA-N 2 2 345.472 1.602 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)CC1 ZINC000567349510 448672262 /nfs/dbraw/zinc/67/22/62/448672262.db2.gz RBISVVHIVMEDFJ-UHFFFAOYSA-N 2 2 345.472 1.602 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000579002558 448692409 /nfs/dbraw/zinc/69/24/09/448692409.db2.gz QLGBBCBAHSAILF-CQSZACIVSA-N 2 2 330.432 1.845 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000579002558 448692415 /nfs/dbraw/zinc/69/24/15/448692415.db2.gz QLGBBCBAHSAILF-CQSZACIVSA-N 2 2 330.432 1.845 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)ccc2n1C ZINC000579105984 448714882 /nfs/dbraw/zinc/71/48/82/448714882.db2.gz LYZDUNDYXAEIFS-UHFFFAOYSA-N 2 2 339.403 1.650 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000519020074 448733857 /nfs/dbraw/zinc/73/38/57/448733857.db2.gz JZJATNVILXRFRO-UHFFFAOYSA-N 2 2 328.420 1.513 20 0 EDADLP CC[N@H+](CCSC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000592201128 448739639 /nfs/dbraw/zinc/73/96/39/448739639.db2.gz CHAKCCHQSPXPRP-UHFFFAOYSA-N 2 2 336.505 1.805 20 0 EDADLP CC[N@@H+](CCSC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000592201128 448739643 /nfs/dbraw/zinc/73/96/43/448739643.db2.gz CHAKCCHQSPXPRP-UHFFFAOYSA-N 2 2 336.505 1.805 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000519149539 448747293 /nfs/dbraw/zinc/74/72/93/448747293.db2.gz AZLXBJDRZRWZGG-OAHLLOKOSA-N 2 2 336.505 1.876 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000519149539 448747296 /nfs/dbraw/zinc/74/72/96/448747296.db2.gz AZLXBJDRZRWZGG-OAHLLOKOSA-N 2 2 336.505 1.876 20 0 EDADLP CCCOc1ccc(OCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000567753803 448752340 /nfs/dbraw/zinc/75/23/40/448752340.db2.gz HVAVZSLJJWWUCQ-RHSMWYFYSA-N 2 2 333.432 1.098 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+](C2CCC2)C1 ZINC000579545686 448815274 /nfs/dbraw/zinc/81/52/74/448815274.db2.gz LXBRSERIFQPILD-UONOGXRCSA-N 2 2 331.464 1.783 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+](C2CCC2)C1 ZINC000579545686 448815280 /nfs/dbraw/zinc/81/52/80/448815280.db2.gz LXBRSERIFQPILD-UONOGXRCSA-N 2 2 331.464 1.783 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+](C2CCC2)C1 ZINC000579545686 448815286 /nfs/dbraw/zinc/81/52/86/448815286.db2.gz LXBRSERIFQPILD-UONOGXRCSA-N 2 2 331.464 1.783 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+](C2CCC2)C1 ZINC000579545686 448815290 /nfs/dbraw/zinc/81/52/90/448815290.db2.gz LXBRSERIFQPILD-UONOGXRCSA-N 2 2 331.464 1.783 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000592283563 448771313 /nfs/dbraw/zinc/77/13/13/448771313.db2.gz XZWJOCUXPWPCPV-ZDUSSCGKSA-N 2 2 344.415 1.347 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)C[C@@H]21 ZINC000574031808 448773869 /nfs/dbraw/zinc/77/38/69/448773869.db2.gz GHSIIKZRHIZAJG-ZBFHGGJFSA-N 2 2 346.456 1.256 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)C[C@@H]21 ZINC000574031808 448773872 /nfs/dbraw/zinc/77/38/72/448773872.db2.gz GHSIIKZRHIZAJG-ZBFHGGJFSA-N 2 2 346.456 1.256 20 0 EDADLP C[NH+]1CCN(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000574031283 448774018 /nfs/dbraw/zinc/77/40/18/448774018.db2.gz NNWXPVAYNARVHO-JIRNRHONSA-N 3 2 328.504 1.848 20 0 EDADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000545302759 448788246 /nfs/dbraw/zinc/78/82/46/448788246.db2.gz KMMVTRNPSOCFCF-CABCVRRESA-N 2 2 329.444 1.993 20 0 EDADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000545302759 448788250 /nfs/dbraw/zinc/78/82/50/448788250.db2.gz KMMVTRNPSOCFCF-CABCVRRESA-N 2 2 329.444 1.993 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000568169009 448827218 /nfs/dbraw/zinc/82/72/18/448827218.db2.gz YQZQJGFLKUVABS-KGLIPLIRSA-N 2 2 338.414 1.980 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000568169009 448827222 /nfs/dbraw/zinc/82/72/22/448827222.db2.gz YQZQJGFLKUVABS-KGLIPLIRSA-N 2 2 338.414 1.980 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000568169009 448827226 /nfs/dbraw/zinc/82/72/26/448827226.db2.gz YQZQJGFLKUVABS-KGLIPLIRSA-N 2 2 338.414 1.980 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000568169009 448827230 /nfs/dbraw/zinc/82/72/30/448827230.db2.gz YQZQJGFLKUVABS-KGLIPLIRSA-N 2 2 338.414 1.980 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000579592078 448829186 /nfs/dbraw/zinc/82/91/86/448829186.db2.gz BUNKFKXWEWBKCG-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000579592078 448829191 /nfs/dbraw/zinc/82/91/91/448829191.db2.gz BUNKFKXWEWBKCG-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000519727732 448830049 /nfs/dbraw/zinc/83/00/49/448830049.db2.gz FTQFCHJVQSGSFV-YJBOKZPZSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000519727732 448830052 /nfs/dbraw/zinc/83/00/52/448830052.db2.gz FTQFCHJVQSGSFV-YJBOKZPZSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000546614431 448831494 /nfs/dbraw/zinc/83/14/94/448831494.db2.gz MFOWWBYHYFKRFI-KSSFIOAISA-N 2 2 349.500 1.799 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000546614431 448831497 /nfs/dbraw/zinc/83/14/97/448831497.db2.gz MFOWWBYHYFKRFI-KSSFIOAISA-N 2 2 349.500 1.799 20 0 EDADLP COCC[NH2+]C1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC000574284891 448836865 /nfs/dbraw/zinc/83/68/65/448836865.db2.gz YBVBRNGKQJWEJB-INIZCTEOSA-N 2 2 333.476 1.906 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[NH2+]C(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000529369590 448845236 /nfs/dbraw/zinc/84/52/36/448845236.db2.gz YNOCSJOOFGWBMH-UHFFFAOYSA-N 2 2 334.468 1.714 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000579727492 448864943 /nfs/dbraw/zinc/86/49/43/448864943.db2.gz NPWUJOSQGBLXAT-OAHLLOKOSA-N 2 2 327.419 1.790 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000579727492 448864949 /nfs/dbraw/zinc/86/49/49/448864949.db2.gz NPWUJOSQGBLXAT-OAHLLOKOSA-N 2 2 327.419 1.790 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000579727492 448864957 /nfs/dbraw/zinc/86/49/57/448864957.db2.gz NPWUJOSQGBLXAT-OAHLLOKOSA-N 2 2 327.419 1.790 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000579727492 448864962 /nfs/dbraw/zinc/86/49/62/448864962.db2.gz NPWUJOSQGBLXAT-OAHLLOKOSA-N 2 2 327.419 1.790 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000568856472 448927021 /nfs/dbraw/zinc/92/70/21/448927021.db2.gz FQGBOPWFHFOOHN-UMVBOHGHSA-N 2 2 337.851 1.802 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(-c3nncs3)cc2)[C@@H](C[NH3+])C1 ZINC000574502207 448886845 /nfs/dbraw/zinc/88/68/45/448886845.db2.gz OTGUNZLYQRLBNY-ZDUSSCGKSA-N 2 2 332.433 1.312 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(-c3nncs3)cc2)[C@@H](C[NH3+])C1 ZINC000574502207 448886850 /nfs/dbraw/zinc/88/68/50/448886850.db2.gz OTGUNZLYQRLBNY-ZDUSSCGKSA-N 2 2 332.433 1.312 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000547482792 448888079 /nfs/dbraw/zinc/88/80/79/448888079.db2.gz RDVQCCPIBRBDFN-GOSISDBHSA-N 2 2 342.443 1.277 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H](C)O1 ZINC000548086032 448980896 /nfs/dbraw/zinc/98/08/96/448980896.db2.gz LAXYWRICEYODHM-FZKCQIBNSA-N 2 2 346.475 1.930 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H](C)O1 ZINC000548086032 448980903 /nfs/dbraw/zinc/98/09/03/448980903.db2.gz LAXYWRICEYODHM-FZKCQIBNSA-N 2 2 346.475 1.930 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)nc(C(C)C)[nH+]1 ZINC000529845026 448982514 /nfs/dbraw/zinc/98/25/14/448982514.db2.gz DOEWBZBZZZQCTP-AWEZNQCLSA-N 2 2 342.447 1.896 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000529846633 448984377 /nfs/dbraw/zinc/98/43/77/448984377.db2.gz XHCKSZGVCYQNNZ-GJZGRUSLSA-N 2 2 333.480 2.167 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000529846633 448984380 /nfs/dbraw/zinc/98/43/80/448984380.db2.gz XHCKSZGVCYQNNZ-GJZGRUSLSA-N 2 2 333.480 2.167 20 0 EDADLP CCc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000582053084 448998873 /nfs/dbraw/zinc/99/88/73/448998873.db2.gz JGEYPCYXHXUAOU-QGZVFWFLSA-N 2 2 342.447 1.575 20 0 EDADLP CCc1cccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000582053084 448998879 /nfs/dbraw/zinc/99/88/79/448998879.db2.gz JGEYPCYXHXUAOU-QGZVFWFLSA-N 2 2 342.447 1.575 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@@]1(C)C[NH3+] ZINC000582057082 448998987 /nfs/dbraw/zinc/99/89/87/448998987.db2.gz ZYLKMJIKXFHWBQ-DNVCBOLYSA-N 2 2 326.444 1.917 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000569323356 449000643 /nfs/dbraw/zinc/00/06/43/449000643.db2.gz MCHGUQHNLAZZTK-AVGNSLFASA-N 2 2 336.402 1.782 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000569323356 449000646 /nfs/dbraw/zinc/00/06/46/449000646.db2.gz MCHGUQHNLAZZTK-AVGNSLFASA-N 2 2 336.402 1.782 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)[C@H]1C ZINC000521985465 449035991 /nfs/dbraw/zinc/03/59/91/449035991.db2.gz IEBWGTPDBLWZQQ-BQFCYCMXSA-N 2 2 346.475 1.452 20 0 EDADLP COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000589209086 448989229 /nfs/dbraw/zinc/98/92/29/448989229.db2.gz LEGUBHVJWXFAOH-MRXNPFEDSA-N 2 2 336.432 1.391 20 0 EDADLP COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000589209086 448989235 /nfs/dbraw/zinc/98/92/35/448989235.db2.gz LEGUBHVJWXFAOH-MRXNPFEDSA-N 2 2 336.432 1.391 20 0 EDADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000522002111 449039214 /nfs/dbraw/zinc/03/92/14/449039214.db2.gz PKDMJFLYXRERME-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000522002111 449039217 /nfs/dbraw/zinc/03/92/17/449039217.db2.gz PKDMJFLYXRERME-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)[C@@H](C[NH3+])C1 ZINC000582229427 449042282 /nfs/dbraw/zinc/04/22/82/449042282.db2.gz QZJPJLLQKGWSPO-AWEZNQCLSA-N 2 2 343.435 1.103 20 0 EDADLP COC(=O)C[C@H](C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601803033 449161431 /nfs/dbraw/zinc/16/14/31/449161431.db2.gz FBMKTAJRBKBJKN-CYBMUJFWSA-N 2 2 334.420 1.361 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C[S@](C)=O)c1 ZINC000597990235 449175189 /nfs/dbraw/zinc/17/51/89/449175189.db2.gz SOSJRUDTSADVDQ-QHCPKHFHSA-N 2 2 339.505 1.178 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C[S@](C)=O)c1 ZINC000597990235 449175193 /nfs/dbraw/zinc/17/51/93/449175193.db2.gz SOSJRUDTSADVDQ-QHCPKHFHSA-N 2 2 339.505 1.178 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3Cc4ccccc43)C2)CC1 ZINC000604181000 449187289 /nfs/dbraw/zinc/18/72/89/449187289.db2.gz WYLPTZMJIOZQGR-SJORKVTESA-N 2 2 342.487 1.794 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3Cc4ccccc43)C2)CC1 ZINC000604181000 449187294 /nfs/dbraw/zinc/18/72/94/449187294.db2.gz WYLPTZMJIOZQGR-SJORKVTESA-N 2 2 342.487 1.794 20 0 EDADLP CN(C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604208246 449192392 /nfs/dbraw/zinc/19/23/92/449192392.db2.gz IGPCKRZWIQMCBD-MAUKXSAKSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604208246 449192397 /nfs/dbraw/zinc/19/23/97/449192397.db2.gz IGPCKRZWIQMCBD-MAUKXSAKSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000604208246 449192402 /nfs/dbraw/zinc/19/24/02/449192402.db2.gz IGPCKRZWIQMCBD-MAUKXSAKSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000604208246 449192408 /nfs/dbraw/zinc/19/24/08/449192408.db2.gz IGPCKRZWIQMCBD-MAUKXSAKSA-N 3 2 349.523 1.033 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000590811464 449303244 /nfs/dbraw/zinc/30/32/44/449303244.db2.gz JUETXCWFNSBDLB-KRWDZBQOSA-N 2 2 347.507 1.621 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000594015682 449322283 /nfs/dbraw/zinc/32/22/83/449322283.db2.gz OQBXJVIYROBRPI-OAHLLOKOSA-N 2 2 344.496 1.369 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000594015682 449322287 /nfs/dbraw/zinc/32/22/87/449322287.db2.gz OQBXJVIYROBRPI-OAHLLOKOSA-N 2 2 344.496 1.369 20 0 EDADLP COC(=O)C(C)(C)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000593906291 449275746 /nfs/dbraw/zinc/27/57/46/449275746.db2.gz TUWAKEQXUJQCIB-CABCVRRESA-N 2 2 335.448 1.322 20 0 EDADLP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)c(F)c1 ZINC000593908435 449278917 /nfs/dbraw/zinc/27/89/17/449278917.db2.gz QDWAXWRTFILYKF-OLZOCXBDSA-N 2 2 345.802 1.088 20 0 EDADLP O=c1[nH]c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc2ccccc21 ZINC000590942050 449351669 /nfs/dbraw/zinc/35/16/69/449351669.db2.gz UUGVOZKQDJDODZ-UHFFFAOYSA-N 2 2 342.443 1.880 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000605985145 449433734 /nfs/dbraw/zinc/43/37/34/449433734.db2.gz DEOMOBPPBXEFOL-UHFFFAOYSA-N 2 2 348.495 1.326 20 0 EDADLP C[NH+](C)C1(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000613993345 449409107 /nfs/dbraw/zinc/40/91/07/449409107.db2.gz OTGSTJTUTIRLEP-INIZCTEOSA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+](C)C1(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000613993345 449409110 /nfs/dbraw/zinc/40/91/10/449409110.db2.gz OTGSTJTUTIRLEP-INIZCTEOSA-N 2 2 333.501 1.814 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)CO ZINC000605903092 449422750 /nfs/dbraw/zinc/42/27/50/449422750.db2.gz YEBWAMXKMINRIW-UHFFFAOYSA-N 2 2 325.478 1.095 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)(C)CO ZINC000605903092 449422758 /nfs/dbraw/zinc/42/27/58/449422758.db2.gz YEBWAMXKMINRIW-UHFFFAOYSA-N 2 2 325.478 1.095 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000596219796 449423178 /nfs/dbraw/zinc/42/31/78/449423178.db2.gz WGOITZRLBSJCQH-UHFFFAOYSA-N 2 2 342.399 1.527 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC[C@](O)(C[NH+](C)C)C3)cc2n1C ZINC000614065628 449441110 /nfs/dbraw/zinc/44/11/10/449441110.db2.gz RCGCGFOQUBGXDK-SFHVURJKSA-N 2 2 330.432 1.410 20 0 EDADLP CSCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N(C)C ZINC000594525633 449562049 /nfs/dbraw/zinc/56/20/49/449562049.db2.gz XMNFHPUEAXGCIC-HOTGVXAUSA-N 2 2 343.537 1.429 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594647117 449603616 /nfs/dbraw/zinc/60/36/16/449603616.db2.gz BLCKUKKELOMCEF-ATLSCFEFSA-N 2 2 337.508 1.721 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594647117 449603621 /nfs/dbraw/zinc/60/36/21/449603621.db2.gz BLCKUKKELOMCEF-ATLSCFEFSA-N 2 2 337.508 1.721 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594647117 449603625 /nfs/dbraw/zinc/60/36/25/449603625.db2.gz BLCKUKKELOMCEF-ATLSCFEFSA-N 2 2 337.508 1.721 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594647117 449603630 /nfs/dbraw/zinc/60/36/30/449603630.db2.gz BLCKUKKELOMCEF-ATLSCFEFSA-N 2 2 337.508 1.721 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc([S@](C)=O)c1 ZINC000596743404 449629351 /nfs/dbraw/zinc/62/93/51/449629351.db2.gz XBJYQYMJVZGKSU-QHCPKHFHSA-N 2 2 340.493 1.429 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc([S@](C)=O)c1 ZINC000596743404 449629355 /nfs/dbraw/zinc/62/93/55/449629355.db2.gz XBJYQYMJVZGKSU-QHCPKHFHSA-N 2 2 340.493 1.429 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)n1C ZINC000602463159 449609738 /nfs/dbraw/zinc/60/97/38/449609738.db2.gz RVVLUINPZATFIA-UHFFFAOYSA-N 2 2 344.415 1.538 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614447808 449616437 /nfs/dbraw/zinc/61/64/37/449616437.db2.gz MGKSQETWIWEEPE-HOTGVXAUSA-N 2 2 332.448 1.159 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(c2ccccc2)CC(=O)C1 ZINC000617507803 449659256 /nfs/dbraw/zinc/65/92/56/449659256.db2.gz JRVNSHVWSAJLCV-INIZCTEOSA-N 2 2 345.487 1.676 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(c2ccccc2)CC(=O)C1 ZINC000617507803 449659262 /nfs/dbraw/zinc/65/92/62/449659262.db2.gz JRVNSHVWSAJLCV-INIZCTEOSA-N 2 2 345.487 1.676 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCCCC(=O)C1 ZINC000617508239 449660071 /nfs/dbraw/zinc/66/00/71/449660071.db2.gz ZCOLJXVWUQTYCM-HOTGVXAUSA-N 2 2 325.497 1.914 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCCCC(=O)C1 ZINC000617508239 449660076 /nfs/dbraw/zinc/66/00/76/449660076.db2.gz ZCOLJXVWUQTYCM-HOTGVXAUSA-N 2 2 325.497 1.914 20 0 EDADLP COc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1OC(C)C ZINC000594740383 449660061 /nfs/dbraw/zinc/66/00/61/449660061.db2.gz XPLBYZQWSCLINO-GJZGRUSLSA-N 2 2 333.432 1.226 20 0 EDADLP COc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1OC(C)C ZINC000594740383 449660063 /nfs/dbraw/zinc/66/00/63/449660063.db2.gz XPLBYZQWSCLINO-GJZGRUSLSA-N 2 2 333.432 1.226 20 0 EDADLP O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000614521767 449671281 /nfs/dbraw/zinc/67/12/81/449671281.db2.gz RZALOJLMAUNNFM-CABCVRRESA-N 2 2 332.448 1.085 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000614521767 449671286 /nfs/dbraw/zinc/67/12/86/449671286.db2.gz RZALOJLMAUNNFM-CABCVRRESA-N 2 2 332.448 1.085 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)on1 ZINC000602567048 449678302 /nfs/dbraw/zinc/67/83/02/449678302.db2.gz HASFAMROKLBODH-JKSUJKDBSA-N 2 2 337.420 1.319 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602599587 449696131 /nfs/dbraw/zinc/69/61/31/449696131.db2.gz CHUNWBHUCZUTAC-ZDUSSCGKSA-N 2 2 340.518 1.331 20 0 EDADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(I)cc2)C1 ZINC000599008769 449696652 /nfs/dbraw/zinc/69/66/52/449696652.db2.gz HVGJIXPHXRZQLG-CYBMUJFWSA-N 2 2 346.212 1.447 20 0 EDADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(I)cc2)C1 ZINC000599008769 449696656 /nfs/dbraw/zinc/69/66/56/449696656.db2.gz HVGJIXPHXRZQLG-CYBMUJFWSA-N 2 2 346.212 1.447 20 0 EDADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2cccc(I)c2)C1 ZINC000599009836 449698231 /nfs/dbraw/zinc/69/82/31/449698231.db2.gz MIVTZTKGQUPLNQ-CYBMUJFWSA-N 2 2 346.212 1.447 20 0 EDADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2cccc(I)c2)C1 ZINC000599009836 449698234 /nfs/dbraw/zinc/69/82/34/449698234.db2.gz MIVTZTKGQUPLNQ-CYBMUJFWSA-N 2 2 346.212 1.447 20 0 EDADLP Cn1c[nH+]cc1C[NH2+][C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O ZINC000601159177 449724231 /nfs/dbraw/zinc/72/42/31/449724231.db2.gz ITDMBAQKHKBTFB-AWEZNQCLSA-N 2 2 336.436 1.233 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000601104462 449692807 /nfs/dbraw/zinc/69/28/07/449692807.db2.gz YGRWGKNPYSBDRW-CQSZACIVSA-N 2 2 332.448 2.177 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000601104462 449692810 /nfs/dbraw/zinc/69/28/10/449692810.db2.gz YGRWGKNPYSBDRW-CQSZACIVSA-N 2 2 332.448 2.177 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000612573792 449780259 /nfs/dbraw/zinc/78/02/59/449780259.db2.gz IKAQTVGCHITLHJ-HNNXBMFYSA-N 2 2 333.480 1.793 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000612573792 449780261 /nfs/dbraw/zinc/78/02/61/449780261.db2.gz IKAQTVGCHITLHJ-HNNXBMFYSA-N 2 2 333.480 1.793 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)CO1 ZINC000617725880 449782568 /nfs/dbraw/zinc/78/25/68/449782568.db2.gz PWRPDFPLIVZOAG-JZXOWHBKSA-N 2 2 333.476 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)CO1 ZINC000617725880 449782573 /nfs/dbraw/zinc/78/25/73/449782573.db2.gz PWRPDFPLIVZOAG-JZXOWHBKSA-N 2 2 333.476 1.905 20 0 EDADLP CC(C)(C)OC(=O)COCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000601295351 449807114 /nfs/dbraw/zinc/80/71/14/449807114.db2.gz UUQKROHEARUDNJ-UHFFFAOYSA-N 2 2 335.448 1.998 20 0 EDADLP Cc1nsc(NC2CC2)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763331 449822118 /nfs/dbraw/zinc/82/21/18/449822118.db2.gz NPMZUMBYRBCABO-UHFFFAOYSA-N 2 2 339.509 1.639 20 0 EDADLP Cc1nsc(NC2CC2)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763331 449822125 /nfs/dbraw/zinc/82/21/25/449822125.db2.gz NPMZUMBYRBCABO-UHFFFAOYSA-N 2 2 339.509 1.639 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn2cccc(Cl)c12 ZINC000617763471 449822815 /nfs/dbraw/zinc/82/28/15/449822815.db2.gz SBHYQKQAJVEFPD-UHFFFAOYSA-N 2 2 337.855 1.601 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn2cccc(Cl)c12 ZINC000617763471 449822819 /nfs/dbraw/zinc/82/28/19/449822819.db2.gz SBHYQKQAJVEFPD-UHFFFAOYSA-N 2 2 337.855 1.601 20 0 EDADLP Cc1onc(-c2ccccn2)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765603 449827063 /nfs/dbraw/zinc/82/70/63/449827063.db2.gz ILUMIJFGEQBQEI-UHFFFAOYSA-N 2 2 345.447 1.658 20 0 EDADLP Cc1onc(-c2ccccn2)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765603 449827068 /nfs/dbraw/zinc/82/70/68/449827068.db2.gz ILUMIJFGEQBQEI-UHFFFAOYSA-N 2 2 345.447 1.658 20 0 EDADLP CC(C)C(=O)Nc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617767845 449830520 /nfs/dbraw/zinc/83/05/20/449830520.db2.gz FVQXHBJFIAANRI-UHFFFAOYSA-N 2 2 348.491 1.894 20 0 EDADLP CC(C)C(=O)Nc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617767845 449830524 /nfs/dbraw/zinc/83/05/24/449830524.db2.gz FVQXHBJFIAANRI-UHFFFAOYSA-N 2 2 348.491 1.894 20 0 EDADLP Cc1nn(C(C)(C)C)c(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767386 449831791 /nfs/dbraw/zinc/83/17/91/449831791.db2.gz RXIFFKADWIXMAZ-UHFFFAOYSA-N 2 2 337.512 1.868 20 0 EDADLP Cc1nn(C(C)(C)C)c(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767386 449831793 /nfs/dbraw/zinc/83/17/93/449831793.db2.gz RXIFFKADWIXMAZ-UHFFFAOYSA-N 2 2 337.512 1.868 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000617768224 449833151 /nfs/dbraw/zinc/83/31/51/449833151.db2.gz UVAMWPMEHJTNKQ-UHFFFAOYSA-N 2 2 330.432 1.554 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000617768224 449833154 /nfs/dbraw/zinc/83/31/54/449833154.db2.gz UVAMWPMEHJTNKQ-UHFFFAOYSA-N 2 2 330.432 1.554 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000594995033 449834901 /nfs/dbraw/zinc/83/49/01/449834901.db2.gz NCZVIEVRJJLJAN-JCHJZTRSSA-N 2 2 345.487 1.590 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000594995033 449834910 /nfs/dbraw/zinc/83/49/10/449834910.db2.gz NCZVIEVRJJLJAN-JCHJZTRSSA-N 2 2 345.487 1.590 20 0 EDADLP Cc1ccc(C(=O)N[C@H](CO)C[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000614853898 449846422 /nfs/dbraw/zinc/84/64/22/449846422.db2.gz IXOQJBSZRPUDOG-HNNXBMFYSA-N 2 2 329.400 1.835 20 0 EDADLP COC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000597215688 449876004 /nfs/dbraw/zinc/87/60/04/449876004.db2.gz LDWQJDRMRLPGBF-CYBMUJFWSA-N 2 2 349.431 1.273 20 0 EDADLP COC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000597215688 449876005 /nfs/dbraw/zinc/87/60/05/449876005.db2.gz LDWQJDRMRLPGBF-CYBMUJFWSA-N 2 2 349.431 1.273 20 0 EDADLP Cn1cc[nH+]c1C[C@H](NC(=O)NCCC[NH+](C)C)c1ccccc1 ZINC000608615592 449887793 /nfs/dbraw/zinc/88/77/93/449887793.db2.gz AXYUKLKWZOXOFW-INIZCTEOSA-N 2 2 329.448 1.955 20 0 EDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)NCCC[NH+](C)C)c1ccccc1 ZINC000608615593 449888101 /nfs/dbraw/zinc/88/81/01/449888101.db2.gz AXYUKLKWZOXOFW-MRXNPFEDSA-N 2 2 329.448 1.955 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)c[nH+]2)CC1 ZINC000612865785 449916774 /nfs/dbraw/zinc/91/67/74/449916774.db2.gz WTUHWYFKAHYHAT-SFHVURJKSA-N 2 2 331.464 1.869 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617974944 449957936 /nfs/dbraw/zinc/95/79/36/449957936.db2.gz AGOPWAUQWXYBDH-UHFFFAOYSA-N 2 2 327.432 1.766 20 0 EDADLP CC(C)COCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479633 450002690 /nfs/dbraw/zinc/00/26/90/450002690.db2.gz YSGKNWHHTDMODB-QGZVFWFLSA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)COCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479633 450002694 /nfs/dbraw/zinc/00/26/94/450002694.db2.gz YSGKNWHHTDMODB-QGZVFWFLSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[N@H+]3C)ccn12 ZINC000615274533 450039690 /nfs/dbraw/zinc/03/96/90/450039690.db2.gz JNTIQFCBYWWUTR-JKSUJKDBSA-N 2 2 328.416 1.578 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[N@@H+]3C)ccn12 ZINC000615274533 450039695 /nfs/dbraw/zinc/03/96/95/450039695.db2.gz JNTIQFCBYWWUTR-JKSUJKDBSA-N 2 2 328.416 1.578 20 0 EDADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000615305779 450056122 /nfs/dbraw/zinc/05/61/22/450056122.db2.gz XQHYASUNOCBVER-PBHICJAKSA-N 2 2 332.448 1.078 20 0 EDADLP COC(=O)[C@]1(OC)CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000599559722 450059367 /nfs/dbraw/zinc/05/93/67/450059367.db2.gz YJPSPXMKVUSMKF-IBGZPJMESA-N 2 2 348.443 1.283 20 0 EDADLP COC(=O)[C@]1(OC)CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000599559722 450059374 /nfs/dbraw/zinc/05/93/74/450059374.db2.gz YJPSPXMKVUSMKF-IBGZPJMESA-N 2 2 348.443 1.283 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000613840208 450334590 /nfs/dbraw/zinc/33/45/90/450334590.db2.gz JHHLVCSVIPPLMA-MRXNPFEDSA-N 2 2 326.444 1.935 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000613840208 450334597 /nfs/dbraw/zinc/33/45/97/450334597.db2.gz JHHLVCSVIPPLMA-MRXNPFEDSA-N 2 2 326.444 1.935 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000623304491 450489635 /nfs/dbraw/zinc/48/96/35/450489635.db2.gz ZTGVRDFJZIDJHH-AIANPOQGSA-N 2 2 334.464 1.448 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000623354327 450504591 /nfs/dbraw/zinc/50/45/91/450504591.db2.gz ODOUPQMSHIIMGI-SFHVURJKSA-N 2 2 346.475 1.412 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000623354327 450504596 /nfs/dbraw/zinc/50/45/96/450504596.db2.gz ODOUPQMSHIIMGI-SFHVURJKSA-N 2 2 346.475 1.412 20 0 EDADLP C[C@@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000620596410 450518865 /nfs/dbraw/zinc/51/88/65/450518865.db2.gz QEFDZDFLVMCEDM-WBVHZDCISA-N 2 2 341.459 1.586 20 0 EDADLP C[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1[nH+]ccn1C ZINC000620601682 450519937 /nfs/dbraw/zinc/51/99/37/450519937.db2.gz ZEKQOBRLDYVNOT-DOTOQJQBSA-N 2 2 342.443 1.888 20 0 EDADLP C[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1[nH+]ccn1C ZINC000620601682 450519938 /nfs/dbraw/zinc/51/99/38/450519938.db2.gz ZEKQOBRLDYVNOT-DOTOQJQBSA-N 2 2 342.443 1.888 20 0 EDADLP C[C@H](Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)C1CC[NH+](C)CC1 ZINC000623969823 450655976 /nfs/dbraw/zinc/65/59/76/450655976.db2.gz VRZLESZCYDFWHH-NSHDSACASA-N 2 2 331.468 2.306 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H](CO)c1ccnn1C ZINC000624018300 450671470 /nfs/dbraw/zinc/67/14/70/450671470.db2.gz PQLWYWGLYLCRJI-HYVNUMGLSA-N 2 2 329.448 1.349 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H](CO)c1ccnn1C ZINC000624018300 450671473 /nfs/dbraw/zinc/67/14/73/450671473.db2.gz PQLWYWGLYLCRJI-HYVNUMGLSA-N 2 2 329.448 1.349 20 0 EDADLP COc1cc(C(F)(F)F)nc(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000624022534 450673941 /nfs/dbraw/zinc/67/39/41/450673941.db2.gz SGPIDVMRUASVBR-UHFFFAOYSA-N 2 2 347.385 1.942 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633090498 450674484 /nfs/dbraw/zinc/67/44/84/450674484.db2.gz JBWCOVJBQRTGCQ-MRXNPFEDSA-N 2 2 348.495 1.077 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000635129271 450675497 /nfs/dbraw/zinc/67/54/97/450675497.db2.gz PVYUPTQQLREQME-SFHVURJKSA-N 2 2 331.460 1.872 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000635129271 450675503 /nfs/dbraw/zinc/67/55/03/450675503.db2.gz PVYUPTQQLREQME-SFHVURJKSA-N 2 2 331.460 1.872 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cn1 ZINC000633126447 450700742 /nfs/dbraw/zinc/70/07/42/450700742.db2.gz JQSAHGCJXZGTHO-UHFFFAOYSA-N 2 2 343.422 1.152 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635167806 450712626 /nfs/dbraw/zinc/71/26/26/450712626.db2.gz BXKPSPOSIVUISG-UHFFFAOYSA-N 2 2 326.400 1.935 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000631703648 450722802 /nfs/dbraw/zinc/72/28/02/450722802.db2.gz MIBSNAVFWBHIDJ-UHFFFAOYSA-N 2 2 338.477 1.195 20 0 EDADLP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1c[nH+]ccc1N ZINC000629550882 450731488 /nfs/dbraw/zinc/73/14/88/450731488.db2.gz PPCSDWKWIVITQA-NSHDSACASA-N 2 2 328.372 1.555 20 0 EDADLP CC1CCN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cn2)CC1 ZINC000629556081 450735074 /nfs/dbraw/zinc/73/50/74/450735074.db2.gz UMNQVAIUAIRVLQ-SFHVURJKSA-N 2 2 332.492 1.864 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1C(F)(F)F ZINC000629560017 450736530 /nfs/dbraw/zinc/73/65/30/450736530.db2.gz CVVKMYKPXCJYGF-OLZOCXBDSA-N 2 2 333.398 1.750 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1C(F)(F)F ZINC000629560017 450736535 /nfs/dbraw/zinc/73/65/35/450736535.db2.gz CVVKMYKPXCJYGF-OLZOCXBDSA-N 2 2 333.398 1.750 20 0 EDADLP CN(C)[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1c(F)cccc1F ZINC000629567714 450740675 /nfs/dbraw/zinc/74/06/75/450740675.db2.gz QHLVIVMJKMUUDM-CJNGLKHVSA-N 2 2 327.419 1.614 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629647032 450769275 /nfs/dbraw/zinc/76/92/75/450769275.db2.gz JWAUDINQEWQYSW-QGZVFWFLSA-N 2 2 327.428 1.359 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629647032 450769278 /nfs/dbraw/zinc/76/92/78/450769278.db2.gz JWAUDINQEWQYSW-QGZVFWFLSA-N 2 2 327.428 1.359 20 0 EDADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000631858360 450829860 /nfs/dbraw/zinc/82/98/60/450829860.db2.gz XIVDAVXQRISVBN-KBPBESRZSA-N 2 2 330.432 1.564 20 0 EDADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000631858360 450829866 /nfs/dbraw/zinc/82/98/66/450829866.db2.gz XIVDAVXQRISVBN-KBPBESRZSA-N 2 2 330.432 1.564 20 0 EDADLP OCC[NH2+]C1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000631862748 450831729 /nfs/dbraw/zinc/83/17/29/450831729.db2.gz MYVOQABAHUTVLV-LJQANCHMSA-N 2 2 334.460 1.791 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000631861066 450831905 /nfs/dbraw/zinc/83/19/05/450831905.db2.gz VBNDQURIYLJUBD-ZBFHGGJFSA-N 2 2 334.439 1.286 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000631861066 450831908 /nfs/dbraw/zinc/83/19/08/450831908.db2.gz VBNDQURIYLJUBD-ZBFHGGJFSA-N 2 2 334.439 1.286 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631868660 450837090 /nfs/dbraw/zinc/83/70/90/450837090.db2.gz MIYQOAKOAAVIHB-QUCCMNQESA-N 2 2 345.487 1.960 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3(C[NH+](C)C)CC3)c[nH+]2)C[C@H](C)O1 ZINC000635314763 450838636 /nfs/dbraw/zinc/83/86/36/450838636.db2.gz MKQFVYBKXVGNGG-GASCZTMLSA-N 2 2 346.475 1.653 20 0 EDADLP CC(C)C[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000635277067 450805719 /nfs/dbraw/zinc/80/57/19/450805719.db2.gz GVPCLVRTHCLMNI-KRWDZBQOSA-N 2 2 335.496 1.614 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631885986 450846774 /nfs/dbraw/zinc/84/67/74/450846774.db2.gz FZLHQJNETROPQP-WMLDXEAASA-N 2 2 330.432 1.657 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631885986 450846779 /nfs/dbraw/zinc/84/67/79/450846779.db2.gz FZLHQJNETROPQP-WMLDXEAASA-N 2 2 330.432 1.657 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1cccc2nsnc21 ZINC000631886585 450847118 /nfs/dbraw/zinc/84/71/18/450847118.db2.gz KPCMHOCJVDUISS-FZMZJTMJSA-N 2 2 331.445 1.704 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1cccc2nsnc21 ZINC000631886585 450847122 /nfs/dbraw/zinc/84/71/22/450847122.db2.gz KPCMHOCJVDUISS-FZMZJTMJSA-N 2 2 331.445 1.704 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc(OC)c1 ZINC000631885754 450847281 /nfs/dbraw/zinc/84/72/81/450847281.db2.gz DOOUVBUQWGKDAK-GUYCJALGSA-N 2 2 333.432 1.716 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc(OC)c1 ZINC000631885754 450847287 /nfs/dbraw/zinc/84/72/87/450847287.db2.gz DOOUVBUQWGKDAK-GUYCJALGSA-N 2 2 333.432 1.716 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886923 450848744 /nfs/dbraw/zinc/84/87/44/450848744.db2.gz KYTJPGAWIZFHRB-WMZOPIPTSA-N 2 2 331.460 1.523 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886923 450848747 /nfs/dbraw/zinc/84/87/47/450848747.db2.gz KYTJPGAWIZFHRB-WMZOPIPTSA-N 2 2 331.460 1.523 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3cccnn3)cc2)[C@H](C[NH3+])C1 ZINC000621827155 450881070 /nfs/dbraw/zinc/88/10/70/450881070.db2.gz MAXHMKBQUUHLDT-CQSZACIVSA-N 2 2 342.403 1.376 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(Oc3cccnn3)cc2)[C@H](C[NH3+])C1 ZINC000621827155 450881074 /nfs/dbraw/zinc/88/10/74/450881074.db2.gz MAXHMKBQUUHLDT-CQSZACIVSA-N 2 2 342.403 1.376 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621860673 450903533 /nfs/dbraw/zinc/90/35/33/450903533.db2.gz BOVYVVGCYXFFOF-HNNXBMFYSA-N 2 2 333.480 1.316 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621860673 450903536 /nfs/dbraw/zinc/90/35/36/450903536.db2.gz BOVYVVGCYXFFOF-HNNXBMFYSA-N 2 2 333.480 1.316 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635400489 450907539 /nfs/dbraw/zinc/90/75/39/450907539.db2.gz FSXBPXDUWSNDOB-ZDUSSCGKSA-N 2 2 326.400 1.792 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635400489 450907542 /nfs/dbraw/zinc/90/75/42/450907542.db2.gz FSXBPXDUWSNDOB-ZDUSSCGKSA-N 2 2 326.400 1.792 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624735438 450971622 /nfs/dbraw/zinc/97/16/22/450971622.db2.gz UUSDZOCIJZWIGC-SFHVURJKSA-N 2 2 348.491 1.610 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624735438 450971628 /nfs/dbraw/zinc/97/16/28/450971628.db2.gz UUSDZOCIJZWIGC-SFHVURJKSA-N 2 2 348.491 1.610 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000624738806 450974624 /nfs/dbraw/zinc/97/46/24/450974624.db2.gz NIAZOPAILAXDSS-BPQIPLTHSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000624738806 450974629 /nfs/dbraw/zinc/97/46/29/450974629.db2.gz NIAZOPAILAXDSS-BPQIPLTHSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000624738806 450974633 /nfs/dbraw/zinc/97/46/33/450974633.db2.gz NIAZOPAILAXDSS-BPQIPLTHSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000624738806 450974639 /nfs/dbraw/zinc/97/46/39/450974639.db2.gz NIAZOPAILAXDSS-BPQIPLTHSA-N 2 2 346.475 1.279 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000627906170 451014573 /nfs/dbraw/zinc/01/45/73/451014573.db2.gz LFMRNCPCWZQBEN-ZDUSSCGKSA-N 2 2 332.404 1.162 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000627906170 451014578 /nfs/dbraw/zinc/01/45/78/451014578.db2.gz LFMRNCPCWZQBEN-ZDUSSCGKSA-N 2 2 332.404 1.162 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626935979 451018019 /nfs/dbraw/zinc/01/80/19/451018019.db2.gz BPBYQKDFWSSZJV-USXIJHARSA-N 2 2 332.448 1.110 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626939468 451020628 /nfs/dbraw/zinc/02/06/28/451020628.db2.gz FNPZZTVQWLEXMW-WOPDTQHZSA-N 2 2 333.358 1.440 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635527828 451024750 /nfs/dbraw/zinc/02/47/50/451024750.db2.gz WKGOKKKOGCVZQZ-FGTMMUONSA-N 2 2 344.459 1.033 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635527828 451024752 /nfs/dbraw/zinc/02/47/52/451024752.db2.gz WKGOKKKOGCVZQZ-FGTMMUONSA-N 2 2 344.459 1.033 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635551018 451046433 /nfs/dbraw/zinc/04/64/33/451046433.db2.gz JUPJPFZDZFHKDL-ARFHVFGLSA-N 3 2 331.464 1.140 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635551018 451046440 /nfs/dbraw/zinc/04/64/40/451046440.db2.gz JUPJPFZDZFHKDL-ARFHVFGLSA-N 3 2 331.464 1.140 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[NH+](CCCF)CC1 ZINC000627958964 451052268 /nfs/dbraw/zinc/05/22/68/451052268.db2.gz PYOLTWIHRIGBSK-KRWDZBQOSA-N 2 2 334.439 1.550 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[NH+](CCCF)CC1 ZINC000627958964 451052277 /nfs/dbraw/zinc/05/22/77/451052277.db2.gz PYOLTWIHRIGBSK-KRWDZBQOSA-N 2 2 334.439 1.550 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000635556128 451054263 /nfs/dbraw/zinc/05/42/63/451054263.db2.gz NIEVSRQZKPBWNY-HNNXBMFYSA-N 2 2 329.448 1.399 20 0 EDADLP CC(C)C[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)n1cc[nH+]c1 ZINC000635559133 451057827 /nfs/dbraw/zinc/05/78/27/451057827.db2.gz QQHRBTLDPPFCFS-GOSISDBHSA-N 2 2 349.523 1.860 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000626996472 451061697 /nfs/dbraw/zinc/06/16/97/451061697.db2.gz VKGHNIWJSBALNT-GOEBONIOSA-N 2 2 327.432 1.675 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897167 451081111 /nfs/dbraw/zinc/08/11/11/451081111.db2.gz REYAJXCMMQJJOR-SFHVURJKSA-N 2 2 331.460 1.911 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897167 451081114 /nfs/dbraw/zinc/08/11/14/451081114.db2.gz REYAJXCMMQJJOR-SFHVURJKSA-N 2 2 331.460 1.911 20 0 EDADLP Cc1cn2ccc(C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)cc2[nH+]1 ZINC000635711560 451189999 /nfs/dbraw/zinc/18/99/99/451189999.db2.gz RQVIHUOWFLFOML-INIZCTEOSA-N 2 2 330.432 1.609 20 0 EDADLP Cc1cn2ccc(C(=O)NCCCC[N@H+]3CCC[C@H]3CO)cc2[nH+]1 ZINC000635711560 451190002 /nfs/dbraw/zinc/19/00/02/451190002.db2.gz RQVIHUOWFLFOML-INIZCTEOSA-N 2 2 330.432 1.609 20 0 EDADLP COCC1(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCOCC1 ZINC000634193637 451229914 /nfs/dbraw/zinc/22/99/14/451229914.db2.gz MDVWJYUZPLVJSG-UHFFFAOYSA-N 2 2 348.447 1.215 20 0 EDADLP CC(C)(CO)[NH+]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635741657 451211903 /nfs/dbraw/zinc/21/19/03/451211903.db2.gz XPBAJCCWRPLINE-GFCCVEGCSA-N 2 2 348.369 1.292 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC000634194442 451231039 /nfs/dbraw/zinc/23/10/39/451231039.db2.gz RWMGJQLGACIPQC-UHFFFAOYSA-N 3 2 345.491 1.892 20 0 EDADLP Cc1cc(C)c(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c(=O)[nH]1 ZINC000634196252 451233884 /nfs/dbraw/zinc/23/38/84/451233884.db2.gz RFFJCFVCAMLAHM-UHFFFAOYSA-N 2 2 341.415 1.803 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COc3ccc(O)cc3)c2)CC1 ZINC000634196639 451233969 /nfs/dbraw/zinc/23/39/69/451233969.db2.gz YXPPKLBBZGGNQY-UHFFFAOYSA-N 2 2 342.399 1.557 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)c1 ZINC000638103075 451271214 /nfs/dbraw/zinc/27/12/14/451271214.db2.gz KNMZRKYITVCQJH-RRQGHBQHSA-N 2 2 333.432 1.017 20 0 EDADLP COCCc1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000638119843 451288861 /nfs/dbraw/zinc/28/88/61/451288861.db2.gz WBVOFJGYAZEVEW-CQSZACIVSA-N 2 2 325.478 1.486 20 0 EDADLP COCCc1ncc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000638119843 451288866 /nfs/dbraw/zinc/28/88/66/451288866.db2.gz WBVOFJGYAZEVEW-CQSZACIVSA-N 2 2 325.478 1.486 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638134222 451307158 /nfs/dbraw/zinc/30/71/58/451307158.db2.gz MNEQLGQWGBEGGY-INIZCTEOSA-N 2 2 337.489 1.498 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638134222 451307162 /nfs/dbraw/zinc/30/71/62/451307162.db2.gz MNEQLGQWGBEGGY-INIZCTEOSA-N 2 2 337.489 1.498 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638134222 451307166 /nfs/dbraw/zinc/30/71/66/451307166.db2.gz MNEQLGQWGBEGGY-INIZCTEOSA-N 2 2 337.489 1.498 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638134222 451307168 /nfs/dbraw/zinc/30/71/68/451307168.db2.gz MNEQLGQWGBEGGY-INIZCTEOSA-N 2 2 337.489 1.498 20 0 EDADLP CN(C)c1cncc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000640436989 451315721 /nfs/dbraw/zinc/31/57/21/451315721.db2.gz FHNMAGGLQHYLFW-UHFFFAOYSA-N 2 2 348.495 1.637 20 0 EDADLP CN(C)c1cncc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000640436989 451315725 /nfs/dbraw/zinc/31/57/25/451315725.db2.gz FHNMAGGLQHYLFW-UHFFFAOYSA-N 2 2 348.495 1.637 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@@H](C)[NH+](C)C)n2)c1C ZINC000635870851 451318669 /nfs/dbraw/zinc/31/86/69/451318669.db2.gz MZARKSNEANOXMV-GFCCVEGCSA-N 2 2 332.408 1.235 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C[C@H]21 ZINC000638164402 451330880 /nfs/dbraw/zinc/33/08/80/451330880.db2.gz HRLHCYWFSOCLAJ-FDYHWXHSSA-N 2 2 330.354 1.962 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]([NH+]4CCOCC4)C3(C)C)ccn12 ZINC000640510028 451360473 /nfs/dbraw/zinc/36/04/73/451360473.db2.gz DZKNEGJFOSYLEH-HOTGVXAUSA-N 2 2 342.443 1.872 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246482 451378927 /nfs/dbraw/zinc/37/89/27/451378927.db2.gz FGQUPQLDGSJDCU-LBPRGKRZSA-N 2 2 330.354 1.979 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000635944183 451386693 /nfs/dbraw/zinc/38/66/93/451386693.db2.gz DJVWUOVTPLKXSY-KRWDZBQOSA-N 2 2 326.400 1.508 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000635944183 451386696 /nfs/dbraw/zinc/38/66/96/451386696.db2.gz DJVWUOVTPLKXSY-KRWDZBQOSA-N 2 2 326.400 1.508 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186731 451344650 /nfs/dbraw/zinc/34/46/50/451344650.db2.gz ZGTCYQSAJZJULO-HDICACEKSA-N 3 2 331.460 1.049 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186731 451344652 /nfs/dbraw/zinc/34/46/52/451344652.db2.gz ZGTCYQSAJZJULO-HDICACEKSA-N 3 2 331.460 1.049 20 0 EDADLP O[C@]1(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634645231 451439304 /nfs/dbraw/zinc/43/93/04/451439304.db2.gz JUQCIXPBOKLGEN-VAMGGRTRSA-N 2 2 346.471 1.503 20 0 EDADLP O[C@]1(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634645231 451439309 /nfs/dbraw/zinc/43/93/09/451439309.db2.gz JUQCIXPBOKLGEN-VAMGGRTRSA-N 2 2 346.471 1.503 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@@H]([C@H]3CCCO3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634645231 451439313 /nfs/dbraw/zinc/43/93/13/451439313.db2.gz JUQCIXPBOKLGEN-VAMGGRTRSA-N 2 2 346.471 1.503 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@@H]([C@H]3CCCO3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634645231 451439319 /nfs/dbraw/zinc/43/93/19/451439319.db2.gz JUQCIXPBOKLGEN-VAMGGRTRSA-N 2 2 346.471 1.503 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000638296053 451412131 /nfs/dbraw/zinc/41/21/31/451412131.db2.gz DKWROCCZVKKEEF-KMFMINBZSA-N 2 2 337.489 1.720 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640568353 451412554 /nfs/dbraw/zinc/41/25/54/451412554.db2.gz XXGIDXGAPKIPJK-BZUAXINKSA-N 2 2 348.409 1.812 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640568353 451412557 /nfs/dbraw/zinc/41/25/57/451412557.db2.gz XXGIDXGAPKIPJK-BZUAXINKSA-N 2 2 348.409 1.812 20 0 EDADLP CC[NH2+][C@H](C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000638299915 451414641 /nfs/dbraw/zinc/41/46/41/451414641.db2.gz CGHWFUBFFLCAKH-CQSZACIVSA-N 2 2 332.448 1.287 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])ccc2n1C1CC1 ZINC000638326024 451434932 /nfs/dbraw/zinc/43/49/32/451434932.db2.gz VFFNRPQBNFDTHE-SUMWQHHRSA-N 2 2 328.416 1.666 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc[nH+]1 ZINC000640603496 451449369 /nfs/dbraw/zinc/44/93/69/451449369.db2.gz XQKYBYVDPCTOHX-UHFFFAOYSA-N 2 2 347.463 1.724 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)Nc2ccnc(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000640604759 451451257 /nfs/dbraw/zinc/45/12/57/451451257.db2.gz JWDVKICROHYYMM-HUUCEWRRSA-N 2 2 349.479 1.764 20 0 EDADLP CC[C@H](C)[C@H](C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)OC ZINC000638353447 451453776 /nfs/dbraw/zinc/45/37/76/451453776.db2.gz VBJFHCZMXSJIAQ-IRXDYDNUSA-N 2 2 335.496 1.639 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)CC1 ZINC000636054120 451469790 /nfs/dbraw/zinc/46/97/90/451469790.db2.gz UKAZFXHXYHSTSN-SFHVURJKSA-N 3 2 336.524 1.489 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000636054120 451469798 /nfs/dbraw/zinc/46/97/98/451469798.db2.gz UKAZFXHXYHSTSN-SFHVURJKSA-N 3 2 336.524 1.489 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000636054120 451469806 /nfs/dbraw/zinc/46/98/06/451469806.db2.gz UKAZFXHXYHSTSN-SFHVURJKSA-N 3 2 336.524 1.489 20 0 EDADLP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nncn1C ZINC000634714687 451495648 /nfs/dbraw/zinc/49/56/48/451495648.db2.gz OZWQUHDPODGESO-IEBWSBKVSA-N 2 2 343.475 1.739 20 0 EDADLP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nncn1C ZINC000634714687 451495651 /nfs/dbraw/zinc/49/56/51/451495651.db2.gz OZWQUHDPODGESO-IEBWSBKVSA-N 2 2 343.475 1.739 20 0 EDADLP CN1CCCC[C@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000634744664 451522098 /nfs/dbraw/zinc/52/20/98/451522098.db2.gz GMHHNCVKAIPBOQ-IBGZPJMESA-N 2 2 345.487 1.962 20 0 EDADLP CN1CCCC[C@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000634744664 451522102 /nfs/dbraw/zinc/52/21/02/451522102.db2.gz GMHHNCVKAIPBOQ-IBGZPJMESA-N 2 2 345.487 1.962 20 0 EDADLP O=C(CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000638455058 451524268 /nfs/dbraw/zinc/52/42/68/451524268.db2.gz RMNAXJUHSQPNTL-BJWYYQGGSA-N 2 2 328.460 1.756 20 0 EDADLP CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631034782 451544859 /nfs/dbraw/zinc/54/48/59/451544859.db2.gz BLWHKZFXBIKJAE-OAHLLOKOSA-N 2 2 335.448 1.012 20 0 EDADLP Nc1nc(N)c(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)c[nH+]1 ZINC000638513458 451552200 /nfs/dbraw/zinc/55/22/00/451552200.db2.gz LZTNADCMGARUGF-MRXNPFEDSA-N 2 2 326.448 1.619 20 0 EDADLP COc1cc(F)cc(OC)c1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000631065314 451564186 /nfs/dbraw/zinc/56/41/86/451564186.db2.gz XLBNNLYAFXULON-UHFFFAOYSA-N 2 2 339.411 1.097 20 0 EDADLP NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1Cl ZINC000631115024 451591587 /nfs/dbraw/zinc/59/15/87/451591587.db2.gz LTOFAJWMUACZNT-LLVKDONJSA-N 2 2 340.836 1.289 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000638605402 451603019 /nfs/dbraw/zinc/60/30/19/451603019.db2.gz MEOVKYHCHTWFIX-AWEZNQCLSA-N 2 2 331.526 1.701 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000638605402 451603020 /nfs/dbraw/zinc/60/30/20/451603020.db2.gz MEOVKYHCHTWFIX-AWEZNQCLSA-N 2 2 331.526 1.701 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccon3)c2)C1 ZINC000634960400 451625212 /nfs/dbraw/zinc/62/52/12/451625212.db2.gz QQRNNUVERLNWTN-INIZCTEOSA-N 2 2 328.416 1.662 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccon3)c2)C1 ZINC000634960400 451625218 /nfs/dbraw/zinc/62/52/18/451625218.db2.gz QQRNNUVERLNWTN-INIZCTEOSA-N 2 2 328.416 1.662 20 0 EDADLP CN(C(=O)c1ncc2ccccn21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247541 451661134 /nfs/dbraw/zinc/66/11/34/451661134.db2.gz WYADWKSZLLXEJN-QGZVFWFLSA-N 2 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1ncc2ccccn21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247541 451661136 /nfs/dbraw/zinc/66/11/36/451661136.db2.gz WYADWKSZLLXEJN-QGZVFWFLSA-N 2 2 341.459 1.575 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](CCc2ccncc2)CC1)n1cc[nH+]c1 ZINC000636293013 451661850 /nfs/dbraw/zinc/66/18/50/451661850.db2.gz QNYQQBQEMHOSKI-INIZCTEOSA-N 2 2 327.432 1.616 20 0 EDADLP COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000631259531 451667476 /nfs/dbraw/zinc/66/74/76/451667476.db2.gz VIPXXBPRKSCKDY-OAHLLOKOSA-N 2 2 347.459 1.228 20 0 EDADLP COc1ccc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000631259531 451667481 /nfs/dbraw/zinc/66/74/81/451667481.db2.gz VIPXXBPRKSCKDY-OAHLLOKOSA-N 2 2 347.459 1.228 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638730451 451668475 /nfs/dbraw/zinc/66/84/75/451668475.db2.gz WJYXKZBZCLCTOI-IRXDYDNUSA-N 2 2 334.464 1.162 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638730451 451668478 /nfs/dbraw/zinc/66/84/78/451668478.db2.gz WJYXKZBZCLCTOI-IRXDYDNUSA-N 2 2 334.464 1.162 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCOCC12CC2 ZINC000639143298 451776353 /nfs/dbraw/zinc/77/63/53/451776353.db2.gz IVDUWRRUJSNTAV-UHFFFAOYSA-N 2 2 332.444 1.762 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CCOCC12CC2 ZINC000639143298 451776355 /nfs/dbraw/zinc/77/63/55/451776355.db2.gz IVDUWRRUJSNTAV-UHFFFAOYSA-N 2 2 332.444 1.762 20 0 EDADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccco1 ZINC000637139165 451738934 /nfs/dbraw/zinc/73/89/34/451738934.db2.gz DYSCDTSOOPETGW-GUTXKFCHSA-N 2 2 331.420 1.829 20 0 EDADLP Cc1[nH]nc(C(C)C)c1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985023 451746286 /nfs/dbraw/zinc/74/62/86/451746286.db2.gz XLCINNPSYMFVAU-UHFFFAOYSA-N 2 2 328.420 1.898 20 0 EDADLP Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985023 451746288 /nfs/dbraw/zinc/74/62/88/451746288.db2.gz XLCINNPSYMFVAU-UHFFFAOYSA-N 2 2 328.420 1.898 20 0 EDADLP Cc1c(Cl)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)nn1C ZINC000638985454 451746711 /nfs/dbraw/zinc/74/67/11/451746711.db2.gz HSPCNOAHRIWOBY-UHFFFAOYSA-N 2 2 334.811 1.439 20 0 EDADLP CC(C)[C@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H](C)[NH3+] ZINC000638989180 451748619 /nfs/dbraw/zinc/74/86/19/451748619.db2.gz MWEMYVHAZZDGNK-CJNGLKHVSA-N 2 2 336.505 1.870 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004356 451751257 /nfs/dbraw/zinc/75/12/57/451751257.db2.gz NWVMRGPXJYIXFY-NXHRZFHOSA-N 2 2 343.475 1.084 20 0 EDADLP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000639081837 451764040 /nfs/dbraw/zinc/76/40/40/451764040.db2.gz UIGKYLTZYFXACU-MRXNPFEDSA-N 2 2 341.463 1.183 20 0 EDADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000639081837 451764041 /nfs/dbraw/zinc/76/40/41/451764041.db2.gz UIGKYLTZYFXACU-MRXNPFEDSA-N 2 2 341.463 1.183 20 0 EDADLP CCC[NH2+]CCNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000639154231 451778962 /nfs/dbraw/zinc/77/89/62/451778962.db2.gz ISKMRYHFIKPMKQ-UHFFFAOYSA-N 2 2 348.491 1.830 20 0 EDADLP CC[C@@H]([NH3+])c1cn(C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641213881 451783701 /nfs/dbraw/zinc/78/37/01/451783701.db2.gz NVESZZBSKHYQMG-UONOGXRCSA-N 2 2 328.420 1.716 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000639289328 451809597 /nfs/dbraw/zinc/80/95/97/451809597.db2.gz NUHBPFSAVODUGT-RRFJBIMHSA-N 2 2 340.475 1.785 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000639289328 451809603 /nfs/dbraw/zinc/80/96/03/451809603.db2.gz NUHBPFSAVODUGT-RRFJBIMHSA-N 2 2 340.475 1.785 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCC[NH+]2CCC2)cc1 ZINC000637387303 451817074 /nfs/dbraw/zinc/81/70/74/451817074.db2.gz PLVJZTGTCKWWDZ-INIZCTEOSA-N 2 2 332.448 1.274 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCC[NH+]2CCC2)cc1 ZINC000637387303 451817079 /nfs/dbraw/zinc/81/70/79/451817079.db2.gz PLVJZTGTCKWWDZ-INIZCTEOSA-N 2 2 332.448 1.274 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc3c2OCCCO3)CC1 ZINC000651443368 451831509 /nfs/dbraw/zinc/83/15/09/451831509.db2.gz UFHSWMDZZUMKAK-UHFFFAOYSA-N 2 2 347.459 1.604 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)C1CC1 ZINC000644579981 451873970 /nfs/dbraw/zinc/87/39/70/451873970.db2.gz OGLSGQQLJZYNGF-YSHGAJCASA-N 2 2 343.471 1.188 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)C1CC1 ZINC000644579981 451873973 /nfs/dbraw/zinc/87/39/73/451873973.db2.gz OGLSGQQLJZYNGF-YSHGAJCASA-N 2 2 343.471 1.188 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]CCc2cn3cccc(C)c3[nH+]2)no1 ZINC000644581586 451875523 /nfs/dbraw/zinc/87/55/23/451875523.db2.gz HEEFXCIBQRMKSB-UHFFFAOYSA-N 2 2 327.388 2.100 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000639460544 451879453 /nfs/dbraw/zinc/87/94/53/451879453.db2.gz WPSCSARNIDQIGN-UHFFFAOYSA-N 2 2 334.445 1.392 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000639460544 451879457 /nfs/dbraw/zinc/87/94/57/451879457.db2.gz WPSCSARNIDQIGN-UHFFFAOYSA-N 2 2 334.445 1.392 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000644650871 451918631 /nfs/dbraw/zinc/91/86/31/451918631.db2.gz CXXIHJPJYMIMSG-ZIAGYGMSSA-N 2 2 331.416 1.695 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000644650871 451918636 /nfs/dbraw/zinc/91/86/36/451918636.db2.gz CXXIHJPJYMIMSG-ZIAGYGMSSA-N 2 2 331.416 1.695 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639566214 451947305 /nfs/dbraw/zinc/94/73/05/451947305.db2.gz JARULRPPUNWINM-UYAOXDASSA-N 3 2 340.471 1.846 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639566214 451947307 /nfs/dbraw/zinc/94/73/07/451947307.db2.gz JARULRPPUNWINM-UYAOXDASSA-N 3 2 340.471 1.846 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639566214 451947314 /nfs/dbraw/zinc/94/73/14/451947314.db2.gz JARULRPPUNWINM-UYAOXDASSA-N 3 2 340.471 1.846 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639566214 451947322 /nfs/dbraw/zinc/94/73/22/451947322.db2.gz JARULRPPUNWINM-UYAOXDASSA-N 3 2 340.471 1.846 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)C2(CCOC)CC[NH2+]CC2)c[nH+]1 ZINC000649289232 451965370 /nfs/dbraw/zinc/96/53/70/451965370.db2.gz CKYAIMOQHFDBLN-UHFFFAOYSA-N 2 2 348.491 1.950 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccn2)[C@@H](C)C1 ZINC000639588599 451959254 /nfs/dbraw/zinc/95/92/54/451959254.db2.gz DQKNDMGOOCLQJN-HOTGVXAUSA-N 2 2 334.464 1.747 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccn2)[C@@H](C)C1 ZINC000639588599 451959260 /nfs/dbraw/zinc/95/92/60/451959260.db2.gz DQKNDMGOOCLQJN-HOTGVXAUSA-N 2 2 334.464 1.747 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2ccccc2=O)CC1 ZINC000649291552 451967931 /nfs/dbraw/zinc/96/79/31/451967931.db2.gz YSLGNSBOPGIKKF-LJQANCHMSA-N 2 2 346.519 1.729 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2ccccc2=O)CC1 ZINC000649291552 451967937 /nfs/dbraw/zinc/96/79/37/451967937.db2.gz YSLGNSBOPGIKKF-LJQANCHMSA-N 2 2 346.519 1.729 20 0 EDADLP Cc1nocc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637618364 451974727 /nfs/dbraw/zinc/97/47/27/451974727.db2.gz JSTVGKNTBRVKMN-INIZCTEOSA-N 2 2 335.452 1.293 20 0 EDADLP Cc1nocc1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637618364 451974731 /nfs/dbraw/zinc/97/47/31/451974731.db2.gz JSTVGKNTBRVKMN-INIZCTEOSA-N 2 2 335.452 1.293 20 0 EDADLP C[C@@H]1OCC[C@]12C[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC000639621444 451979045 /nfs/dbraw/zinc/97/90/45/451979045.db2.gz LFGTZAQVGXLQHX-SXLOBPIMSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1OCC[C@]12C[N@@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC000639621444 451979048 /nfs/dbraw/zinc/97/90/48/451979048.db2.gz LFGTZAQVGXLQHX-SXLOBPIMSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1OCC[C@]12C[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC000639621444 451979051 /nfs/dbraw/zinc/97/90/51/451979051.db2.gz LFGTZAQVGXLQHX-SXLOBPIMSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1OCC[C@]12C[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC000639621444 451979053 /nfs/dbraw/zinc/97/90/53/451979053.db2.gz LFGTZAQVGXLQHX-SXLOBPIMSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@H](NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000649323096 452002049 /nfs/dbraw/zinc/00/20/49/452002049.db2.gz GOBCNLCFRWEQDT-HUBLWGQQSA-N 2 2 325.840 1.565 20 0 EDADLP CC1CN(CCc2c[nH+]cn2C)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639664039 452008788 /nfs/dbraw/zinc/00/87/88/452008788.db2.gz FTGVFTALXFCXFI-UHFFFAOYSA-N 3 2 330.480 1.193 20 0 EDADLP CC1CN(CCc2c[nH+]cn2C)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639664039 452008792 /nfs/dbraw/zinc/00/87/92/452008792.db2.gz FTGVFTALXFCXFI-UHFFFAOYSA-N 3 2 330.480 1.193 20 0 EDADLP Cc1nnc([C@H]2CC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC000639678646 452017373 /nfs/dbraw/zinc/01/73/73/452017373.db2.gz YXIHDPCKPCBJLH-HKUYNNGSSA-N 2 2 341.459 1.539 20 0 EDADLP Cc1nnc([C@H]2CC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC000639678646 452017376 /nfs/dbraw/zinc/01/73/76/452017376.db2.gz YXIHDPCKPCBJLH-HKUYNNGSSA-N 2 2 341.459 1.539 20 0 EDADLP Cc1nnc([C@H]2CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000639678646 452017379 /nfs/dbraw/zinc/01/73/79/452017379.db2.gz YXIHDPCKPCBJLH-HKUYNNGSSA-N 2 2 341.459 1.539 20 0 EDADLP Cc1nnc([C@H]2CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC000639678646 452017384 /nfs/dbraw/zinc/01/73/84/452017384.db2.gz YXIHDPCKPCBJLH-HKUYNNGSSA-N 2 2 341.459 1.539 20 0 EDADLP Cc1n[nH]c([C@H]2CC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000639678646 452017389 /nfs/dbraw/zinc/01/73/89/452017389.db2.gz YXIHDPCKPCBJLH-HKUYNNGSSA-N 2 2 341.459 1.539 20 0 EDADLP Cc1n[nH]c([C@H]2CC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000639678646 452017393 /nfs/dbraw/zinc/01/73/93/452017393.db2.gz YXIHDPCKPCBJLH-HKUYNNGSSA-N 2 2 341.459 1.539 20 0 EDADLP Cc1n[nH]c([C@H]2CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000639678646 452017397 /nfs/dbraw/zinc/01/73/97/452017397.db2.gz YXIHDPCKPCBJLH-HKUYNNGSSA-N 2 2 341.459 1.539 20 0 EDADLP Cc1n[nH]c([C@H]2CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000639678646 452017401 /nfs/dbraw/zinc/01/74/01/452017401.db2.gz YXIHDPCKPCBJLH-HKUYNNGSSA-N 2 2 341.459 1.539 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)c3cccc4c3CC[NH+](C)C4)C2)C1 ZINC000641509043 452041291 /nfs/dbraw/zinc/04/12/91/452041291.db2.gz QXAXQNSRVLMIEB-SFHVURJKSA-N 2 2 349.500 1.391 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3cccc4c3CC[NH+](C)C4)C2)C1 ZINC000641509043 452041295 /nfs/dbraw/zinc/04/12/95/452041295.db2.gz QXAXQNSRVLMIEB-SFHVURJKSA-N 2 2 349.500 1.391 20 0 EDADLP C[NH+]1CC[C@]2(CCN(S(=O)(=O)c3cccc4c3CC[N@H+](C)C4)C2)C1 ZINC000641509043 452041301 /nfs/dbraw/zinc/04/13/01/452041301.db2.gz QXAXQNSRVLMIEB-SFHVURJKSA-N 2 2 349.500 1.391 20 0 EDADLP C[NH+]1CC[C@]2(CCN(S(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)C2)C1 ZINC000641509043 452041305 /nfs/dbraw/zinc/04/13/05/452041305.db2.gz QXAXQNSRVLMIEB-SFHVURJKSA-N 2 2 349.500 1.391 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411924 452075947 /nfs/dbraw/zinc/07/59/47/452075947.db2.gz VLFBWEZKVJTXRK-GJZGRUSLSA-N 2 2 334.439 1.380 20 0 EDADLP CCn1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000639732031 452077318 /nfs/dbraw/zinc/07/73/18/452077318.db2.gz BHCMNBQKNPTTMW-HNNXBMFYSA-N 2 2 345.491 1.679 20 0 EDADLP CCn1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000639732031 452077320 /nfs/dbraw/zinc/07/73/20/452077320.db2.gz BHCMNBQKNPTTMW-HNNXBMFYSA-N 2 2 345.491 1.679 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)CC[C@H]1[NH3+] ZINC000649416783 452080022 /nfs/dbraw/zinc/08/00/22/452080022.db2.gz LSYPQPISEVQNRX-UKRRQHHQSA-N 2 2 347.488 1.991 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)CC[C@H]1[NH3+] ZINC000649416783 452080028 /nfs/dbraw/zinc/08/00/28/452080028.db2.gz LSYPQPISEVQNRX-UKRRQHHQSA-N 2 2 347.488 1.991 20 0 EDADLP O=C(CN1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649419452 452082160 /nfs/dbraw/zinc/08/21/60/452082160.db2.gz PUKHXXVMNPQRMI-SJORKVTESA-N 2 2 348.516 1.076 20 0 EDADLP COC[C@H](C)[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643230282 452084599 /nfs/dbraw/zinc/08/45/99/452084599.db2.gz GLUHXBIIRYERSJ-ZMSDIMECSA-N 2 2 325.497 1.532 20 0 EDADLP COC[C@H](C)[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643230282 452084603 /nfs/dbraw/zinc/08/46/03/452084603.db2.gz GLUHXBIIRYERSJ-ZMSDIMECSA-N 2 2 325.497 1.532 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)CC2 ZINC000637806056 452092618 /nfs/dbraw/zinc/09/26/18/452092618.db2.gz GRNGBIJQPDXYFV-INIZCTEOSA-N 2 2 327.432 1.445 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000643250850 452096041 /nfs/dbraw/zinc/09/60/41/452096041.db2.gz TWQIENFBVZQHGQ-WOJBJXKFSA-N 2 2 346.471 1.899 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000643250850 452096047 /nfs/dbraw/zinc/09/60/47/452096047.db2.gz TWQIENFBVZQHGQ-WOJBJXKFSA-N 2 2 346.471 1.899 20 0 EDADLP COc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)c(Cl)cc1O ZINC000637813536 452097283 /nfs/dbraw/zinc/09/72/83/452097283.db2.gz CAJQVJDLMVIFSI-UHFFFAOYSA-N 2 2 328.840 1.943 20 0 EDADLP COc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c(Cl)cc1O ZINC000637813536 452097286 /nfs/dbraw/zinc/09/72/86/452097286.db2.gz CAJQVJDLMVIFSI-UHFFFAOYSA-N 2 2 328.840 1.943 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637833338 452106604 /nfs/dbraw/zinc/10/66/04/452106604.db2.gz RZEGMGHBCXCMEE-ROUUACIJSA-N 2 2 326.444 1.262 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000651901146 452155974 /nfs/dbraw/zinc/15/59/74/452155974.db2.gz XXWRJIWWLUMDQS-UHFFFAOYSA-N 2 2 331.420 1.367 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000651901146 452155980 /nfs/dbraw/zinc/15/59/80/452155980.db2.gz XXWRJIWWLUMDQS-UHFFFAOYSA-N 2 2 331.420 1.367 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000637955444 452201028 /nfs/dbraw/zinc/20/10/28/452201028.db2.gz KDKRAZGRPHYRNV-UHFFFAOYSA-N 2 2 343.468 1.779 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000637955444 452201034 /nfs/dbraw/zinc/20/10/34/452201034.db2.gz KDKRAZGRPHYRNV-UHFFFAOYSA-N 2 2 343.468 1.779 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc(C)[nH+]1 ZINC000643436112 452217947 /nfs/dbraw/zinc/21/79/47/452217947.db2.gz IFCJVHINRCHZFQ-INIZCTEOSA-N 2 2 341.415 1.375 20 0 EDADLP C[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654052900 452221532 /nfs/dbraw/zinc/22/15/32/452221532.db2.gz UFJHZIVWLNMTQQ-SOUVJXGZSA-N 2 2 343.431 1.495 20 0 EDADLP C[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654052900 452221537 /nfs/dbraw/zinc/22/15/37/452221537.db2.gz UFJHZIVWLNMTQQ-SOUVJXGZSA-N 2 2 343.431 1.495 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)cn21 ZINC000645273824 452251048 /nfs/dbraw/zinc/25/10/48/452251048.db2.gz RRTYSLOVUOKINL-GUYCJALGSA-N 2 2 341.459 1.967 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cn21 ZINC000645273824 452251062 /nfs/dbraw/zinc/25/10/62/452251062.db2.gz RRTYSLOVUOKINL-GUYCJALGSA-N 2 2 341.459 1.967 20 0 EDADLP Cn1ccnc1[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000641784673 452253192 /nfs/dbraw/zinc/25/31/92/452253192.db2.gz CYRGCZIHEBHZNV-QZTJIDSGSA-N 2 2 347.507 1.257 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCCO1 ZINC000641783968 452253566 /nfs/dbraw/zinc/25/35/66/452253566.db2.gz BMKNFDAQPPCHCN-BZSNNMDCSA-N 2 2 325.497 1.330 20 0 EDADLP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)C2 ZINC000641785608 452257653 /nfs/dbraw/zinc/25/76/53/452257653.db2.gz CLSPHODSBDVVRA-SFTDATJTSA-N 2 2 343.515 1.930 20 0 EDADLP COC1([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000641788051 452262842 /nfs/dbraw/zinc/26/28/42/452262842.db2.gz XSXYDHWFFJNHJB-QZTJIDSGSA-N 2 2 339.524 1.720 20 0 EDADLP CC(C)n1ccnc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787744 452264267 /nfs/dbraw/zinc/26/42/67/452264267.db2.gz ZNBWYUDUQHQFAG-KRWDZBQOSA-N 2 2 335.496 1.350 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659426168 452269987 /nfs/dbraw/zinc/26/99/87/452269987.db2.gz SRNXHLALGRVQLA-INIZCTEOSA-N 2 2 334.464 1.266 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659426168 452269997 /nfs/dbraw/zinc/26/99/97/452269997.db2.gz SRNXHLALGRVQLA-INIZCTEOSA-N 2 2 334.464 1.266 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659428317 452271470 /nfs/dbraw/zinc/27/14/70/452271470.db2.gz RPEMZWVQBNMRKC-BBRMVZONSA-N 2 2 349.385 1.606 20 0 EDADLP COc1ccc2c(c1)C[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CO2 ZINC000643504148 452272349 /nfs/dbraw/zinc/27/23/49/452272349.db2.gz GSSXIUVAMWMURL-OAHLLOKOSA-N 2 2 340.427 1.915 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)CC2)c1 ZINC000641802375 452277782 /nfs/dbraw/zinc/27/77/82/452277782.db2.gz JQYDCYILCPTMBA-ZWKOTPCHSA-N 3 2 344.503 1.355 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000659432514 452279022 /nfs/dbraw/zinc/27/90/22/452279022.db2.gz AQWDDMJVDIANGD-IHRRRGAJSA-N 2 2 335.452 1.102 20 0 EDADLP C[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1Cc1ccccc1 ZINC000665718017 452281447 /nfs/dbraw/zinc/28/14/47/452281447.db2.gz FQRXXUNFYLFHLD-HNNXBMFYSA-N 2 2 325.416 1.644 20 0 EDADLP C[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1Cc1ccccc1 ZINC000665718017 452281459 /nfs/dbraw/zinc/28/14/59/452281459.db2.gz FQRXXUNFYLFHLD-HNNXBMFYSA-N 2 2 325.416 1.644 20 0 EDADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000649848712 452307015 /nfs/dbraw/zinc/30/70/15/452307015.db2.gz PNHVWVVYJTWYFJ-MSOLQXFVSA-N 2 2 335.492 1.572 20 0 EDADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000649848712 452307019 /nfs/dbraw/zinc/30/70/19/452307019.db2.gz PNHVWVVYJTWYFJ-MSOLQXFVSA-N 2 2 335.492 1.572 20 0 EDADLP CCN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000663589971 452315448 /nfs/dbraw/zinc/31/54/48/452315448.db2.gz XIQOZQOLIJEYPN-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CCN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000663589971 452315455 /nfs/dbraw/zinc/31/54/55/452315455.db2.gz XIQOZQOLIJEYPN-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[NH+](C(C)C)CC3)cc2[nH+]1 ZINC000657556768 452332154 /nfs/dbraw/zinc/33/21/54/452332154.db2.gz SODXQBDXXWHTSQ-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657561455 452334230 /nfs/dbraw/zinc/33/42/30/452334230.db2.gz AKMLVFAOQYLLMN-GXFFZTMASA-N 2 2 341.253 1.114 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657561455 452334237 /nfs/dbraw/zinc/33/42/37/452334237.db2.gz AKMLVFAOQYLLMN-GXFFZTMASA-N 2 2 341.253 1.114 20 0 EDADLP [NH3+]Cc1ncc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cn1 ZINC000638060825 452353009 /nfs/dbraw/zinc/35/30/09/452353009.db2.gz RWIBZWJHWJVUQZ-UHFFFAOYSA-N 2 2 326.404 1.251 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000638066620 452369226 /nfs/dbraw/zinc/36/92/26/452369226.db2.gz IVUJSVJJZHPJTO-MSOLQXFVSA-N 2 2 333.476 1.940 20 0 EDADLP Cc1cc(=O)[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000645399213 452374116 /nfs/dbraw/zinc/37/41/16/452374116.db2.gz RCXXOICAKFOQPA-HNNXBMFYSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1cc(=O)[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000645399213 452374126 /nfs/dbraw/zinc/37/41/26/452374126.db2.gz RCXXOICAKFOQPA-HNNXBMFYSA-N 2 2 332.448 1.336 20 0 EDADLP C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000659511161 452376014 /nfs/dbraw/zinc/37/60/14/452376014.db2.gz PTDAGPNZKSLCJR-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC2(F)F)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000649907011 452379218 /nfs/dbraw/zinc/37/92/18/452379218.db2.gz HYMLVRNEAWDMGA-INIZCTEOSA-N 2 2 339.386 1.655 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC2(F)F)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000649907011 452379224 /nfs/dbraw/zinc/37/92/24/452379224.db2.gz HYMLVRNEAWDMGA-INIZCTEOSA-N 2 2 339.386 1.655 20 0 EDADLP Cc1ccc2ncc(C[N@H+](C)CC(=O)N3CC[NH+](C)CC3)cc2c1 ZINC000640051733 452393865 /nfs/dbraw/zinc/39/38/65/452393865.db2.gz XWQQHRLPSZLZEX-UHFFFAOYSA-N 2 2 326.444 1.749 20 0 EDADLP Cc1ccc2ncc(C[N@@H+](C)CC(=O)N3CC[NH+](C)CC3)cc2c1 ZINC000640051733 452393872 /nfs/dbraw/zinc/39/38/72/452393872.db2.gz XWQQHRLPSZLZEX-UHFFFAOYSA-N 2 2 326.444 1.749 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659553670 452409980 /nfs/dbraw/zinc/40/99/80/452409980.db2.gz ALRRQKVRMMITDV-XYJFISCASA-N 2 2 347.507 1.228 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659553670 452409987 /nfs/dbraw/zinc/40/99/87/452409987.db2.gz ALRRQKVRMMITDV-XYJFISCASA-N 2 2 347.507 1.228 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652275900 452464322 /nfs/dbraw/zinc/46/43/22/452464322.db2.gz ZPCGSZURVQYEMW-AWEZNQCLSA-N 2 2 331.395 1.717 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000650026604 452467755 /nfs/dbraw/zinc/46/77/55/452467755.db2.gz OJUQTYCUBUSNOM-MRXNPFEDSA-N 2 2 341.415 1.370 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000650026604 452467761 /nfs/dbraw/zinc/46/77/61/452467761.db2.gz OJUQTYCUBUSNOM-MRXNPFEDSA-N 2 2 341.415 1.370 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@H+]3C[C@@H](C)OC[C@@H]3C)cn2c1 ZINC000663762239 452491125 /nfs/dbraw/zinc/49/11/25/452491125.db2.gz HHQQLNKKPSUEPC-LSDHHAIUSA-N 2 2 345.447 1.551 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@@H+]3C[C@@H](C)OC[C@@H]3C)cn2c1 ZINC000663762239 452491131 /nfs/dbraw/zinc/49/11/31/452491131.db2.gz HHQQLNKKPSUEPC-LSDHHAIUSA-N 2 2 345.447 1.551 20 0 EDADLP COc1cccc2c1C[N@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)CC2 ZINC000650107832 452524550 /nfs/dbraw/zinc/52/45/50/452524550.db2.gz LFIUQWQPBHWZQK-UHFFFAOYSA-N 2 2 343.471 1.796 20 0 EDADLP COc1cccc2c1C[N@@H+](CC(=O)NC1CC[NH+](C3CC3)CC1)CC2 ZINC000650107832 452524558 /nfs/dbraw/zinc/52/45/58/452524558.db2.gz LFIUQWQPBHWZQK-UHFFFAOYSA-N 2 2 343.471 1.796 20 0 EDADLP c1ccc(OCc2nnc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)[nH]2)cc1 ZINC000647795486 452526785 /nfs/dbraw/zinc/52/67/85/452526785.db2.gz QKIIGUSSGQEQKZ-SOUVJXGZSA-N 2 2 327.432 1.861 20 0 EDADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)[C@H]1CC[NH3+] ZINC000652353986 452531128 /nfs/dbraw/zinc/53/11/28/452531128.db2.gz JVQXAWMZOUZUKG-PBHICJAKSA-N 2 2 346.475 1.776 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)[C@H]1CC[NH3+] ZINC000652353986 452531136 /nfs/dbraw/zinc/53/11/36/452531136.db2.gz JVQXAWMZOUZUKG-PBHICJAKSA-N 2 2 346.475 1.776 20 0 EDADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)[C@@H]1CC[NH3+] ZINC000652354433 452532916 /nfs/dbraw/zinc/53/29/16/452532916.db2.gz YMXOMFZEIZBKRZ-RHSMWYFYSA-N 2 2 346.475 1.776 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)[C@@H]1CC[NH3+] ZINC000652354433 452532922 /nfs/dbraw/zinc/53/29/22/452532922.db2.gz YMXOMFZEIZBKRZ-RHSMWYFYSA-N 2 2 346.475 1.776 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1c[nH+]ccc1N ZINC000647801199 452534109 /nfs/dbraw/zinc/53/41/09/452534109.db2.gz QSNXMTYMCKOFHA-RYUDHWBXSA-N 2 2 333.413 1.380 20 0 EDADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000657800362 452537193 /nfs/dbraw/zinc/53/71/93/452537193.db2.gz DYYNAWKWZIUOFQ-GOSISDBHSA-N 2 2 327.476 1.932 20 0 EDADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000657800362 452537201 /nfs/dbraw/zinc/53/72/01/452537201.db2.gz DYYNAWKWZIUOFQ-GOSISDBHSA-N 2 2 327.476 1.932 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000647806520 452538646 /nfs/dbraw/zinc/53/86/46/452538646.db2.gz LIFZQIQCLMARLQ-UHFFFAOYSA-N 2 2 342.443 1.389 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000663830888 452558143 /nfs/dbraw/zinc/55/81/43/452558143.db2.gz PJXNTUZNFGMDES-KGLIPLIRSA-N 2 2 339.484 1.509 20 0 EDADLP c1ccc(-c2n[nH]c(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)n2)nc1 ZINC000655773917 452568777 /nfs/dbraw/zinc/56/87/77/452568777.db2.gz KWDFWRNILAIKIX-AWEZNQCLSA-N 2 2 328.420 1.210 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000647835793 452574226 /nfs/dbraw/zinc/57/42/26/452574226.db2.gz ONWPFXCLPLSVBJ-UHFFFAOYSA-N 2 2 335.402 1.488 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000647835793 452574237 /nfs/dbraw/zinc/57/42/37/452574237.db2.gz ONWPFXCLPLSVBJ-UHFFFAOYSA-N 2 2 335.402 1.488 20 0 EDADLP c1cc2n(n1)CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000657864060 452576144 /nfs/dbraw/zinc/57/61/44/452576144.db2.gz NQPULYIJZVALPX-SFHVURJKSA-N 3 2 340.475 1.915 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000655790521 452583653 /nfs/dbraw/zinc/58/36/53/452583653.db2.gz NPFXLTVCMBWVFG-UHFFFAOYSA-N 2 2 331.460 1.515 20 0 EDADLP Cc1cc(CO)cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)[nH+]1 ZINC000647854241 452586929 /nfs/dbraw/zinc/58/69/29/452586929.db2.gz GYCBJCAMEGRVHK-SFHVURJKSA-N 2 2 327.428 2.368 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000647860456 452595224 /nfs/dbraw/zinc/59/52/24/452595224.db2.gz IRELRDYLHYZDFJ-CJNGLKHVSA-N 2 2 331.416 1.111 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000647860456 452595235 /nfs/dbraw/zinc/59/52/35/452595235.db2.gz IRELRDYLHYZDFJ-CJNGLKHVSA-N 2 2 331.416 1.111 20 0 EDADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)CCO1 ZINC000647863160 452598617 /nfs/dbraw/zinc/59/86/17/452598617.db2.gz XSUKMSARAYJMOY-IINYFYTJSA-N 2 2 329.803 1.856 20 0 EDADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)CCO1 ZINC000647863160 452598627 /nfs/dbraw/zinc/59/86/27/452598627.db2.gz XSUKMSARAYJMOY-IINYFYTJSA-N 2 2 329.803 1.856 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c(nnn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000655830355 452601028 /nfs/dbraw/zinc/60/10/28/452601028.db2.gz UNDNDLBCUDOHFO-HYVNUMGLSA-N 2 2 325.460 1.925 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c(nnn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000655830355 452601033 /nfs/dbraw/zinc/60/10/33/452601033.db2.gz UNDNDLBCUDOHFO-HYVNUMGLSA-N 2 2 325.460 1.925 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000652424460 452617844 /nfs/dbraw/zinc/61/78/44/452617844.db2.gz QDTZIGJDRMKVMT-UHFFFAOYSA-N 2 2 347.507 1.294 20 0 EDADLP CCO[C@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000666132764 452629246 /nfs/dbraw/zinc/62/92/46/452629246.db2.gz KFNNNXZWCGMPDG-KOMQPUFPSA-N 2 2 326.485 1.221 20 0 EDADLP CCO[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000666132764 452629253 /nfs/dbraw/zinc/62/92/53/452629253.db2.gz KFNNNXZWCGMPDG-KOMQPUFPSA-N 2 2 326.485 1.221 20 0 EDADLP CCC(C)(C)CC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000647916361 452652939 /nfs/dbraw/zinc/65/29/39/452652939.db2.gz IGXJKWUUJFUXPW-HNNXBMFYSA-N 2 2 336.480 1.074 20 0 EDADLP CCC(C)(C)CC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000647916361 452652945 /nfs/dbraw/zinc/65/29/45/452652945.db2.gz IGXJKWUUJFUXPW-HNNXBMFYSA-N 2 2 336.480 1.074 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000666175605 452661350 /nfs/dbraw/zinc/66/13/50/452661350.db2.gz UXSKFADROKZIGX-UHFFFAOYSA-N 2 2 347.463 1.576 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000666175605 452661360 /nfs/dbraw/zinc/66/13/60/452661360.db2.gz UXSKFADROKZIGX-UHFFFAOYSA-N 2 2 347.463 1.576 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000647935097 452676344 /nfs/dbraw/zinc/67/63/44/452676344.db2.gz ZETYPNGALVKSDQ-YJBOKZPZSA-N 2 2 340.471 1.953 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000647935097 452676352 /nfs/dbraw/zinc/67/63/52/452676352.db2.gz ZETYPNGALVKSDQ-YJBOKZPZSA-N 2 2 340.471 1.953 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@H]1[NH3+] ZINC000647939051 452681886 /nfs/dbraw/zinc/68/18/86/452681886.db2.gz ZQNOLTUCNIKIME-RHSMWYFYSA-N 2 2 344.459 1.811 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@H]1[NH3+] ZINC000647939051 452681895 /nfs/dbraw/zinc/68/18/95/452681895.db2.gz ZQNOLTUCNIKIME-RHSMWYFYSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000655932377 452702566 /nfs/dbraw/zinc/70/25/66/452702566.db2.gz ZUXCLAZXLJBDJH-QAPCUYQASA-N 2 2 341.459 1.925 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000655932377 452702572 /nfs/dbraw/zinc/70/25/72/452702572.db2.gz ZUXCLAZXLJBDJH-QAPCUYQASA-N 2 2 341.459 1.925 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000661951795 452712686 /nfs/dbraw/zinc/71/26/86/452712686.db2.gz RMWMTRMQOCXVPS-AEFFLSMTSA-N 2 2 345.491 1.954 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000661951795 452712694 /nfs/dbraw/zinc/71/26/94/452712694.db2.gz RMWMTRMQOCXVPS-AEFFLSMTSA-N 2 2 345.491 1.954 20 0 EDADLP Nc1nc(N2CCC([N@@H+]3CCCOCC3)CC2)[nH+]c2ccccc12 ZINC000664012511 452714110 /nfs/dbraw/zinc/71/41/10/452714110.db2.gz ZSUWWMFAPZWDIJ-UHFFFAOYSA-N 2 2 327.432 1.903 20 0 EDADLP Nc1nc(N2CCC([N@H+]3CCCOCC3)CC2)[nH+]c2ccccc12 ZINC000664012511 452714119 /nfs/dbraw/zinc/71/41/19/452714119.db2.gz ZSUWWMFAPZWDIJ-UHFFFAOYSA-N 2 2 327.432 1.903 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649746 452743369 /nfs/dbraw/zinc/74/33/69/452743369.db2.gz MUVVQPLDQYFKRK-MWDXBVQZSA-N 2 2 349.479 1.727 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649746 452743375 /nfs/dbraw/zinc/74/33/75/452743375.db2.gz MUVVQPLDQYFKRK-MWDXBVQZSA-N 2 2 349.479 1.727 20 0 EDADLP O=C(CC[N@@H+]1CC[C@H]2COC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662035661 452787298 /nfs/dbraw/zinc/78/72/98/452787298.db2.gz GJZCJCWFVSSUGV-IRXDYDNUSA-N 2 2 344.459 1.089 20 0 EDADLP O=C(CC[N@H+]1CC[C@H]2COC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662035661 452787307 /nfs/dbraw/zinc/78/73/07/452787307.db2.gz GJZCJCWFVSSUGV-IRXDYDNUSA-N 2 2 344.459 1.089 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C(C)(C)CO ZINC000664128464 452808388 /nfs/dbraw/zinc/80/83/88/452808388.db2.gz KQRKAOZLWCZIRN-JSGCOSHPSA-N 2 2 335.452 1.016 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000648118708 452834691 /nfs/dbraw/zinc/83/46/91/452834691.db2.gz ZGTDKPFGCSJJFK-XHSDSOJGSA-N 3 2 345.491 1.279 20 0 EDADLP Cn1c(CC[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)nc2ccccc21 ZINC000643960901 452870232 /nfs/dbraw/zinc/87/02/32/452870232.db2.gz IKHVDPOUUXRHIF-RKVPGOIHSA-N 2 2 328.460 1.693 20 0 EDADLP Cn1c(CC[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)nc2ccccc21 ZINC000643960901 452870241 /nfs/dbraw/zinc/87/02/41/452870241.db2.gz IKHVDPOUUXRHIF-RKVPGOIHSA-N 2 2 328.460 1.693 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000648176598 452890303 /nfs/dbraw/zinc/89/03/03/452890303.db2.gz CUONUTDPNGLQPZ-HOCLYGCPSA-N 2 2 327.432 1.965 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C1 ZINC000662154846 452892299 /nfs/dbraw/zinc/89/22/99/452892299.db2.gz HDJPRSJVMTWUCC-LJQANCHMSA-N 2 2 326.444 1.903 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C1 ZINC000662154846 452892304 /nfs/dbraw/zinc/89/23/04/452892304.db2.gz HDJPRSJVMTWUCC-LJQANCHMSA-N 2 2 326.444 1.903 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C1 ZINC000662154846 452892311 /nfs/dbraw/zinc/89/23/11/452892311.db2.gz HDJPRSJVMTWUCC-LJQANCHMSA-N 3 2 326.444 1.903 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C1 ZINC000662154846 452892317 /nfs/dbraw/zinc/89/23/17/452892317.db2.gz HDJPRSJVMTWUCC-LJQANCHMSA-N 3 2 326.444 1.903 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662155862 452893729 /nfs/dbraw/zinc/89/37/29/452893729.db2.gz HOCOATQFHLKNAX-NUJGCVRESA-N 2 2 337.508 1.697 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662155862 452893741 /nfs/dbraw/zinc/89/37/41/452893741.db2.gz HOCOATQFHLKNAX-NUJGCVRESA-N 2 2 337.508 1.697 20 0 EDADLP Cc1nn(C(C)C)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654775022 452907186 /nfs/dbraw/zinc/90/71/86/452907186.db2.gz BMLJFZJJNNEYHV-HNNXBMFYSA-N 2 2 333.480 1.671 20 0 EDADLP Cc1nn(C(C)C)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654775022 452907193 /nfs/dbraw/zinc/90/71/93/452907193.db2.gz BMLJFZJJNNEYHV-HNNXBMFYSA-N 2 2 333.480 1.671 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc[nH+]1 ZINC000666490661 452908258 /nfs/dbraw/zinc/90/82/58/452908258.db2.gz UJZBSTMLTPNBTB-HZPDHXFCSA-N 2 2 330.432 1.577 20 0 EDADLP CC[N@H+](CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000652756820 452917069 /nfs/dbraw/zinc/91/70/69/452917069.db2.gz VDXQPIMLYAKKJG-QGZVFWFLSA-N 2 2 338.540 1.783 20 0 EDADLP CC[N@@H+](CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000652756820 452917072 /nfs/dbraw/zinc/91/70/72/452917072.db2.gz VDXQPIMLYAKKJG-QGZVFWFLSA-N 2 2 338.540 1.783 20 0 EDADLP Cc1[nH+]ccn1CCN1CC[N@@H+](CCn2cc[nH+]c2C)[C@@H](C)[C@@H]1C ZINC000662222650 452955793 /nfs/dbraw/zinc/95/57/93/452955793.db2.gz HECFWPWONAJANH-HOTGVXAUSA-N 3 2 330.480 1.791 20 0 EDADLP Cc1[nH+]ccn1CCN1CC[N@H+](CCn2cc[nH+]c2C)[C@@H](C)[C@@H]1C ZINC000662222650 452955818 /nfs/dbraw/zinc/95/58/18/452955818.db2.gz HECFWPWONAJANH-HOTGVXAUSA-N 3 2 330.480 1.791 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c2[nH+]ccn21 ZINC000656199406 452956198 /nfs/dbraw/zinc/95/61/98/452956198.db2.gz AJSNQFCUTBJDTJ-QLFBSQMISA-N 2 2 333.436 1.395 20 0 EDADLP COc1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000660071932 452986461 /nfs/dbraw/zinc/98/64/61/452986461.db2.gz PSYHBWXHSZRZGD-UHFFFAOYSA-N 2 2 336.436 1.059 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)CC2)C1 ZINC000660073369 452988399 /nfs/dbraw/zinc/98/83/99/452988399.db2.gz AFROMQCAZAORJL-WNRNVDISSA-N 2 2 334.508 1.146 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)CC2)C1 ZINC000660073369 452988406 /nfs/dbraw/zinc/98/84/06/452988406.db2.gz AFROMQCAZAORJL-WNRNVDISSA-N 2 2 334.508 1.146 20 0 EDADLP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000656255359 452992373 /nfs/dbraw/zinc/99/23/73/452992373.db2.gz ILJPEILJUFMWTK-GBESFXJTSA-N 2 2 348.491 1.966 20 0 EDADLP CN(C(=O)C1(C(=O)C2CC2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310790 452994244 /nfs/dbraw/zinc/99/42/44/452994244.db2.gz KZXIKUMVSKIHKF-INIZCTEOSA-N 2 2 333.476 1.373 20 0 EDADLP CN(C(=O)C1(C(=O)C2CC2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310790 452994253 /nfs/dbraw/zinc/99/42/53/452994253.db2.gz KZXIKUMVSKIHKF-INIZCTEOSA-N 2 2 333.476 1.373 20 0 EDADLP CCCCOc1cccc(CNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662285937 453009128 /nfs/dbraw/zinc/00/91/28/453009128.db2.gz BAAAKZVCHJTZRL-UHFFFAOYSA-N 2 2 349.475 1.186 20 0 EDADLP C[C@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc2c(c1)CCCC2 ZINC000662285361 453009613 /nfs/dbraw/zinc/00/96/13/453009613.db2.gz CVGVIPIVGIDWPI-HNNXBMFYSA-N 2 2 345.487 1.447 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000646022371 453018074 /nfs/dbraw/zinc/01/80/74/453018074.db2.gz WPMIBVQIYZYIMS-IBGZPJMESA-N 2 2 342.443 1.460 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc2cccnc2o1 ZINC000648370540 453039637 /nfs/dbraw/zinc/03/96/37/453039637.db2.gz LCRJDMQFSXLBPA-QAPCUYQASA-N 2 2 344.459 1.665 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc2cccnc2o1 ZINC000648370540 453039643 /nfs/dbraw/zinc/03/96/43/453039643.db2.gz LCRJDMQFSXLBPA-QAPCUYQASA-N 2 2 344.459 1.665 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc2cccnc2o1 ZINC000648370540 453039649 /nfs/dbraw/zinc/03/96/49/453039649.db2.gz LCRJDMQFSXLBPA-QAPCUYQASA-N 2 2 344.459 1.665 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc2cccnc2o1 ZINC000648370540 453039658 /nfs/dbraw/zinc/03/96/58/453039658.db2.gz LCRJDMQFSXLBPA-QAPCUYQASA-N 2 2 344.459 1.665 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000662342626 453060706 /nfs/dbraw/zinc/06/07/06/453060706.db2.gz INBRSIRCPJWSEN-LSDHHAIUSA-N 2 2 327.856 1.811 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000662376356 453085505 /nfs/dbraw/zinc/08/55/05/453085505.db2.gz LLUPHWRLZARSDS-HNNXBMFYSA-N 2 2 334.464 1.546 20 0 EDADLP CC12CC(C1)C[N@@H+]2CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662381638 453090007 /nfs/dbraw/zinc/09/00/07/453090007.db2.gz YPONLTRDFPWHKB-UHFFFAOYSA-N 2 2 329.444 1.942 20 0 EDADLP CC12CC(C1)C[N@H+]2CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662381638 453090015 /nfs/dbraw/zinc/09/00/15/453090015.db2.gz YPONLTRDFPWHKB-UHFFFAOYSA-N 2 2 329.444 1.942 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1cnn(C)c1)c1[nH+]ccc2[nH]ccc21 ZINC000664433245 453091088 /nfs/dbraw/zinc/09/10/88/453091088.db2.gz BTACGNWOBORHOS-IRXDYDNUSA-N 2 2 340.431 1.805 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1[nH+]ccc2[nH]ccc21 ZINC000664433245 453091096 /nfs/dbraw/zinc/09/10/96/453091096.db2.gz BTACGNWOBORHOS-IRXDYDNUSA-N 2 2 340.431 1.805 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662387182 453096842 /nfs/dbraw/zinc/09/68/42/453096842.db2.gz IWHONQOJBNCQPJ-WMLDXEAASA-N 2 2 331.460 1.516 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103643 453107274 /nfs/dbraw/zinc/10/72/74/453107274.db2.gz KZXSOJRJWQHQOY-KRWDZBQOSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103643 453107279 /nfs/dbraw/zinc/10/72/79/453107279.db2.gz KZXSOJRJWQHQOY-KRWDZBQOSA-N 2 2 345.487 1.796 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103941 453107425 /nfs/dbraw/zinc/10/74/25/453107425.db2.gz SWNPSCJTRIWZBG-AWEZNQCLSA-N 2 2 335.423 1.949 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103941 453107427 /nfs/dbraw/zinc/10/74/27/453107427.db2.gz SWNPSCJTRIWZBG-AWEZNQCLSA-N 2 2 335.423 1.949 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000652926654 453108830 /nfs/dbraw/zinc/10/88/30/453108830.db2.gz HUAKNLOWGCUHKE-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C(C)(C)C1 ZINC000652926654 453108838 /nfs/dbraw/zinc/10/88/38/453108838.db2.gz HUAKNLOWGCUHKE-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccn1 ZINC000664538080 453178698 /nfs/dbraw/zinc/17/86/98/453178698.db2.gz XXBHBXNHSGNFAA-HNNXBMFYSA-N 2 2 333.480 1.510 20 0 EDADLP c1c(C[NH+]2CCN(c3ccccc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000656457185 453199561 /nfs/dbraw/zinc/19/95/61/453199561.db2.gz QUOMTHGVXGZQBR-UHFFFAOYSA-N 2 2 326.448 1.525 20 0 EDADLP COc1ccc2c(c1)CC[N@H+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000656478290 453211591 /nfs/dbraw/zinc/21/15/91/453211591.db2.gz ROLPMJBGWYXIHJ-QGZVFWFLSA-N 2 2 345.443 1.133 20 0 EDADLP COc1ccc2c(c1)CC[N@@H+]([C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O)C2 ZINC000656478290 453211596 /nfs/dbraw/zinc/21/15/96/453211596.db2.gz ROLPMJBGWYXIHJ-QGZVFWFLSA-N 2 2 345.443 1.133 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000660338709 453229820 /nfs/dbraw/zinc/22/98/20/453229820.db2.gz DIVNLTHWSUXTAL-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000660338709 453229825 /nfs/dbraw/zinc/22/98/25/453229825.db2.gz DIVNLTHWSUXTAL-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP Cn1ccnc1[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653061969 453238839 /nfs/dbraw/zinc/23/88/39/453238839.db2.gz HCFCWWIHEITZSU-HUUCEWRRSA-N 2 2 349.866 1.558 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[NH2+]C[C@@](C)(F)C3)cn21 ZINC000646234741 453244653 /nfs/dbraw/zinc/24/46/53/453244653.db2.gz OJYMDLNOFPFXTA-QGZVFWFLSA-N 2 2 333.411 1.528 20 0 EDADLP CCCCNC(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653073152 453251384 /nfs/dbraw/zinc/25/13/84/453251384.db2.gz SJTPYIOEJHVFFN-MRXNPFEDSA-N 2 2 334.464 1.112 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651098851 453268013 /nfs/dbraw/zinc/26/80/13/453268013.db2.gz JCHTVQFAZVJLTR-GOEBONIOSA-N 2 2 329.448 1.953 20 0 EDADLP C[C@H](CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000664643819 453280791 /nfs/dbraw/zinc/28/07/91/453280791.db2.gz YBUNVHWMKHPEAZ-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP CCc1ccc(-c2noc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n2)cc1 ZINC000653104664 453286122 /nfs/dbraw/zinc/28/61/22/453286122.db2.gz OVBUEPTUGGETGL-WFASDCNBSA-N 2 2 345.447 1.755 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000653108720 453294364 /nfs/dbraw/zinc/29/43/64/453294364.db2.gz FQZMKOSJMOGWTN-QGZVFWFLSA-N 2 2 328.416 1.878 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)[NH+]2CCOCC2)c1 ZINC000653109995 453295557 /nfs/dbraw/zinc/29/55/57/453295557.db2.gz UJBIJBUOGAZDSU-IEBWSBKVSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)cn21 ZINC000662579938 453306541 /nfs/dbraw/zinc/30/65/41/453306541.db2.gz KGBMIUVUZPDHDI-ZDUSSCGKSA-N 2 2 338.415 1.415 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000653118627 453306828 /nfs/dbraw/zinc/30/68/28/453306828.db2.gz RTJHIEKCAIYIRI-OAHLLOKOSA-N 2 2 340.427 1.901 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000653148745 453336744 /nfs/dbraw/zinc/33/67/44/453336744.db2.gz JZTIIXPVHAIACL-LJQANCHMSA-N 2 2 340.471 1.932 20 0 EDADLP Cc1cc(C[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n(-c2ccccc2)n1 ZINC000653168479 453359875 /nfs/dbraw/zinc/35/98/75/453359875.db2.gz CNNNEFJJXURYMN-KDOFPFPSSA-N 2 2 343.475 1.507 20 0 EDADLP Cc1cc(C[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)n(-c2ccccc2)n1 ZINC000653168481 453360853 /nfs/dbraw/zinc/36/08/53/453360853.db2.gz CNNNEFJJXURYMN-RDTXWAMCSA-N 2 2 343.475 1.507 20 0 EDADLP C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000651231421 453381798 /nfs/dbraw/zinc/38/17/98/453381798.db2.gz DCEWVRRGZAZIDC-ICSRJNTNSA-N 2 2 346.519 1.789 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651261645 453404316 /nfs/dbraw/zinc/40/43/16/453404316.db2.gz RUILQKDQQZMNIS-HZMVEIRTSA-N 2 2 336.480 1.116 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651261645 453404323 /nfs/dbraw/zinc/40/43/23/453404323.db2.gz RUILQKDQQZMNIS-HZMVEIRTSA-N 2 2 336.480 1.116 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000664889582 453468031 /nfs/dbraw/zinc/46/80/31/453468031.db2.gz PHTDEPZOSSOZRC-XHSDSOJGSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000664889582 453468037 /nfs/dbraw/zinc/46/80/37/453468037.db2.gz PHTDEPZOSSOZRC-XHSDSOJGSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664889582 453468042 /nfs/dbraw/zinc/46/80/42/453468042.db2.gz PHTDEPZOSSOZRC-XHSDSOJGSA-N 2 2 326.485 1.269 20 0 EDADLP CSc1cccnc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000651332823 453479207 /nfs/dbraw/zinc/47/92/07/453479207.db2.gz KSFOYTNXYGQUNN-UHFFFAOYSA-N 2 2 336.505 1.902 20 0 EDADLP CSc1cccnc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000651332823 453479215 /nfs/dbraw/zinc/47/92/15/453479215.db2.gz KSFOYTNXYGQUNN-UHFFFAOYSA-N 2 2 336.505 1.902 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654679 453489925 /nfs/dbraw/zinc/48/99/25/453489925.db2.gz BFYXFLGFMHXNBD-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654679 453489932 /nfs/dbraw/zinc/48/99/32/453489932.db2.gz BFYXFLGFMHXNBD-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654679 453489934 /nfs/dbraw/zinc/48/99/34/453489934.db2.gz BFYXFLGFMHXNBD-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654679 453489941 /nfs/dbraw/zinc/48/99/41/453489941.db2.gz BFYXFLGFMHXNBD-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCC2(C)C)([NH+]2CCCCC2)CC1 ZINC000662755580 453491606 /nfs/dbraw/zinc/49/16/06/453491606.db2.gz CDLPUTCAUSLBEQ-MRXNPFEDSA-N 3 2 336.524 1.441 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000660677022 453506664 /nfs/dbraw/zinc/50/66/64/453506664.db2.gz WOHFTLJGJMZKIB-GDBMZVCRSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000660677022 453506670 /nfs/dbraw/zinc/50/66/70/453506670.db2.gz WOHFTLJGJMZKIB-GDBMZVCRSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000660677022 453506675 /nfs/dbraw/zinc/50/66/75/453506675.db2.gz WOHFTLJGJMZKIB-GDBMZVCRSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000660677022 453506682 /nfs/dbraw/zinc/50/66/82/453506682.db2.gz WOHFTLJGJMZKIB-GDBMZVCRSA-N 2 2 337.468 1.688 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000662790899 453525621 /nfs/dbraw/zinc/52/56/21/453525621.db2.gz FTRKLVOHXHVVDP-GASCZTMLSA-N 2 2 331.460 1.514 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000662790899 453525626 /nfs/dbraw/zinc/52/56/26/453525626.db2.gz FTRKLVOHXHVVDP-GASCZTMLSA-N 2 2 331.460 1.514 20 0 EDADLP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000655447747 453535177 /nfs/dbraw/zinc/53/51/77/453535177.db2.gz ZKVCFZVZRXSILW-PKOBYXMFSA-N 2 2 329.444 1.426 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000667305485 453546503 /nfs/dbraw/zinc/54/65/03/453546503.db2.gz SHDOGNORSXNEJO-SHTZXODSSA-N 2 2 328.501 1.515 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000667305485 453546508 /nfs/dbraw/zinc/54/65/08/453546508.db2.gz SHDOGNORSXNEJO-SHTZXODSSA-N 2 2 328.501 1.515 20 0 EDADLP COc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000667332537 453565884 /nfs/dbraw/zinc/56/58/84/453565884.db2.gz DDYZEOHFTAREJP-UHFFFAOYSA-N 2 2 335.452 1.580 20 0 EDADLP COc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000667332537 453565889 /nfs/dbraw/zinc/56/58/89/453565889.db2.gz DDYZEOHFTAREJP-UHFFFAOYSA-N 2 2 335.452 1.580 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000659031616 453589256 /nfs/dbraw/zinc/58/92/56/453589256.db2.gz IQLVKNBDGRHOCK-HNNXBMFYSA-N 2 2 347.463 1.036 20 0 EDADLP CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901045 453595292 /nfs/dbraw/zinc/59/52/92/453595292.db2.gz SDQZPZMYUQLRLY-ZWKOTPCHSA-N 3 2 330.476 1.313 20 0 EDADLP CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901045 453595296 /nfs/dbraw/zinc/59/52/96/453595296.db2.gz SDQZPZMYUQLRLY-ZWKOTPCHSA-N 3 2 330.476 1.313 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000660855734 453613052 /nfs/dbraw/zinc/61/30/52/453613052.db2.gz FOTUHSREHLESLH-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000660855734 453613057 /nfs/dbraw/zinc/61/30/57/453613057.db2.gz FOTUHSREHLESLH-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc2c(c1)OCCCO2 ZINC000665290802 453637291 /nfs/dbraw/zinc/63/72/91/453637291.db2.gz LEPSMDKAVZYWIP-NSHDSACASA-N 2 2 330.388 1.653 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000660934256 453652261 /nfs/dbraw/zinc/65/22/61/453652261.db2.gz OEWBKWGZKQLDQA-SZMVWBNQSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000660934256 453652264 /nfs/dbraw/zinc/65/22/64/453652264.db2.gz OEWBKWGZKQLDQA-SZMVWBNQSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000660934256 453652267 /nfs/dbraw/zinc/65/22/67/453652267.db2.gz OEWBKWGZKQLDQA-SZMVWBNQSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000660934256 453652270 /nfs/dbraw/zinc/65/22/70/453652270.db2.gz OEWBKWGZKQLDQA-SZMVWBNQSA-N 2 2 346.475 1.279 20 0 EDADLP Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc1C ZINC000657071596 453660939 /nfs/dbraw/zinc/66/09/39/453660939.db2.gz RYYNKAGSJVZSDI-ZDUSSCGKSA-N 2 2 347.550 1.915 20 0 EDADLP Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc1C ZINC000657071596 453660941 /nfs/dbraw/zinc/66/09/41/453660941.db2.gz RYYNKAGSJVZSDI-ZDUSSCGKSA-N 2 2 347.550 1.915 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000657071725 453661023 /nfs/dbraw/zinc/66/10/23/453661023.db2.gz TUAINHMIOHHESN-LBPRGKRZSA-N 2 2 349.447 1.515 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000657071725 453661027 /nfs/dbraw/zinc/66/10/27/453661027.db2.gz TUAINHMIOHHESN-LBPRGKRZSA-N 2 2 349.447 1.515 20 0 EDADLP Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071526 453661233 /nfs/dbraw/zinc/66/12/33/453661233.db2.gz OYHUNXROTLJKQP-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071526 453661236 /nfs/dbraw/zinc/66/12/36/453661236.db2.gz OYHUNXROTLJKQP-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP Cc1cccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1F ZINC000657071379 453661419 /nfs/dbraw/zinc/66/14/19/453661419.db2.gz MLEJTCWVEYQRLN-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP Cc1cccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1F ZINC000657071379 453661422 /nfs/dbraw/zinc/66/14/22/453661422.db2.gz MLEJTCWVEYQRLN-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)[C@@H](C)CO1 ZINC000665355429 453663499 /nfs/dbraw/zinc/66/34/99/453663499.db2.gz UHTHCHJIIKHULA-ZNMIVQPWSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)[C@@H](C)CO1 ZINC000665355429 453663504 /nfs/dbraw/zinc/66/35/04/453663504.db2.gz UHTHCHJIIKHULA-ZNMIVQPWSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)[C@@H](C)CO1 ZINC000665355429 453663509 /nfs/dbraw/zinc/66/35/09/453663509.db2.gz UHTHCHJIIKHULA-ZNMIVQPWSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)[C@@H](C)CO1 ZINC000665355429 453663513 /nfs/dbraw/zinc/66/35/13/453663513.db2.gz UHTHCHJIIKHULA-ZNMIVQPWSA-N 2 2 326.485 1.268 20 0 EDADLP CC1(C)C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000657143926 453703667 /nfs/dbraw/zinc/70/36/67/453703667.db2.gz JGEZULWBHMDSPO-SJORKVTESA-N 2 2 329.448 1.282 20 0 EDADLP CC1(C)C[C@@H]([NH2+]C[C@H](O)Cn2ccnn2)C[N@H+]1Cc1ccccc1 ZINC000657143926 453703669 /nfs/dbraw/zinc/70/36/69/453703669.db2.gz JGEZULWBHMDSPO-SJORKVTESA-N 2 2 329.448 1.282 20 0 EDADLP c1nn2c(c1C[NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000657293190 453758518 /nfs/dbraw/zinc/75/85/18/453758518.db2.gz JSDJMYKSQARIKR-UHFFFAOYSA-N 2 2 326.444 1.951 20 0 EDADLP CC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 ZINC000663298754 453761501 /nfs/dbraw/zinc/76/15/01/453761501.db2.gz CFIZVFGKCMDANA-SFHVURJKSA-N 2 2 331.460 1.870 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000663410210 453791756 /nfs/dbraw/zinc/79/17/56/453791756.db2.gz ZOUMXSONGITZHK-KGLIPLIRSA-N 2 2 340.512 1.704 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000663410210 453791757 /nfs/dbraw/zinc/79/17/57/453791757.db2.gz ZOUMXSONGITZHK-KGLIPLIRSA-N 2 2 340.512 1.704 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)C(C)C ZINC000663421276 453793372 /nfs/dbraw/zinc/79/33/72/453793372.db2.gz YHHBUCAIRSGLBK-JKSUJKDBSA-N 2 2 328.501 1.514 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)C(C)C ZINC000663421276 453793375 /nfs/dbraw/zinc/79/33/75/453793375.db2.gz YHHBUCAIRSGLBK-JKSUJKDBSA-N 2 2 328.501 1.514 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[NH+](C[C@H](C)O)CC3)c2cc1OC ZINC000663538451 453818592 /nfs/dbraw/zinc/81/85/92/453818592.db2.gz LLAJRNODGHFPAQ-ZDUSSCGKSA-N 2 2 331.416 1.755 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3csc(NC4CC4)n3)C2)CC1 ZINC000676147332 486677558 /nfs/dbraw/zinc/67/75/58/486677558.db2.gz FXCFTVVDZVKSTQ-CYBMUJFWSA-N 2 2 349.504 1.616 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3csc(NC4CC4)n3)C2)CC1 ZINC000676147332 486677561 /nfs/dbraw/zinc/67/75/61/486677561.db2.gz FXCFTVVDZVKSTQ-CYBMUJFWSA-N 2 2 349.504 1.616 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[N@@H+]1Cc1ccccc1 ZINC000413560705 486705210 /nfs/dbraw/zinc/70/52/10/486705210.db2.gz LPPZHWSOGXLTBY-OAHLLOKOSA-N 2 2 327.432 1.836 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000413560705 486705213 /nfs/dbraw/zinc/70/52/13/486705213.db2.gz LPPZHWSOGXLTBY-OAHLLOKOSA-N 2 2 327.432 1.836 20 0 EDADLP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](C[C@H]([NH3+])CC(C)C)C2)no1 ZINC000414752774 486730268 /nfs/dbraw/zinc/73/02/68/486730268.db2.gz LGLDMNPRRZJAIO-HUUCEWRRSA-N 2 2 337.468 1.428 20 0 EDADLP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](C[C@H]([NH3+])CC(C)C)C2)no1 ZINC000414752774 486730276 /nfs/dbraw/zinc/73/02/76/486730276.db2.gz LGLDMNPRRZJAIO-HUUCEWRRSA-N 2 2 337.468 1.428 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000672668487 486757673 /nfs/dbraw/zinc/75/76/73/486757673.db2.gz NVBDFRMDXNFOMQ-ZFWWWQNUSA-N 2 2 329.404 1.661 20 0 EDADLP C[C@@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401357 486769460 /nfs/dbraw/zinc/76/94/60/486769460.db2.gz VLUBNNISMDWSFI-CHWSQXEVSA-N 2 2 344.463 1.812 20 0 EDADLP C[C@@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401357 486769465 /nfs/dbraw/zinc/76/94/65/486769465.db2.gz VLUBNNISMDWSFI-CHWSQXEVSA-N 2 2 344.463 1.812 20 0 EDADLP c1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000680527079 486801404 /nfs/dbraw/zinc/80/14/04/486801404.db2.gz OCBXAFQJJBHOLP-INIZCTEOSA-N 2 2 331.464 1.768 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000683815358 486827038 /nfs/dbraw/zinc/82/70/38/486827038.db2.gz CEPLMEBCAOGZDK-JTQLQIEISA-N 2 2 346.294 1.935 20 0 EDADLP CO[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(O)cc1 ZINC000683851122 486839657 /nfs/dbraw/zinc/83/96/57/486839657.db2.gz PZBJOTDIITUPJW-MAUKXSAKSA-N 2 2 347.459 1.364 20 0 EDADLP CO[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(O)cc1 ZINC000683851122 486839661 /nfs/dbraw/zinc/83/96/61/486839661.db2.gz PZBJOTDIITUPJW-MAUKXSAKSA-N 2 2 347.459 1.364 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCCOC[C@@H]2C)CC1 ZINC000676711063 486850095 /nfs/dbraw/zinc/85/00/95/486850095.db2.gz PBYOWLMYECCLHN-SFHVURJKSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCCOC[C@@H]2C)CC1 ZINC000676711063 486850099 /nfs/dbraw/zinc/85/00/99/486850099.db2.gz PBYOWLMYECCLHN-SFHVURJKSA-N 2 2 345.487 1.750 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670393085 486891983 /nfs/dbraw/zinc/89/19/83/486891983.db2.gz OXSGRELKEIUEGZ-KRWDZBQOSA-N 2 2 342.443 1.590 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000683989054 486899485 /nfs/dbraw/zinc/89/94/85/486899485.db2.gz TUTHSWJNVZCDAH-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCOC[C@H]3CCOC3)c12 ZINC000677002690 486950984 /nfs/dbraw/zinc/95/09/84/486950984.db2.gz VGBGUEQDVAQBIE-ZDUSSCGKSA-N 2 2 340.387 1.676 20 0 EDADLP Cn1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000681167106 486957438 /nfs/dbraw/zinc/95/74/38/486957438.db2.gz HPYFNZAHWXYFHH-HNNXBMFYSA-N 2 2 341.450 1.958 20 0 EDADLP Cn1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000681167106 486957443 /nfs/dbraw/zinc/95/74/43/486957443.db2.gz HPYFNZAHWXYFHH-HNNXBMFYSA-N 2 2 341.450 1.958 20 0 EDADLP CN(Cc1cn(C)nc1C(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681167106 486957446 /nfs/dbraw/zinc/95/74/46/486957446.db2.gz HPYFNZAHWXYFHH-HNNXBMFYSA-N 2 2 341.450 1.958 20 0 EDADLP CN(Cc1cn(C)nc1C(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681167106 486957449 /nfs/dbraw/zinc/95/74/49/486957449.db2.gz HPYFNZAHWXYFHH-HNNXBMFYSA-N 2 2 341.450 1.958 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C2 ZINC000681508123 487063325 /nfs/dbraw/zinc/06/33/25/487063325.db2.gz JQCNZHPQOZXBQS-HUUCEWRRSA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C2 ZINC000681508123 487063330 /nfs/dbraw/zinc/06/33/30/487063330.db2.gz JQCNZHPQOZXBQS-HUUCEWRRSA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000681508123 487063336 /nfs/dbraw/zinc/06/33/36/487063336.db2.gz JQCNZHPQOZXBQS-HUUCEWRRSA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000681508123 487063342 /nfs/dbraw/zinc/06/33/42/487063342.db2.gz JQCNZHPQOZXBQS-HUUCEWRRSA-N 2 2 334.464 1.296 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000673661978 487082061 /nfs/dbraw/zinc/08/20/61/487082061.db2.gz LRQYSYYXJVNTBE-IYBDPMFKSA-N 2 2 333.480 1.327 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000673661978 487082064 /nfs/dbraw/zinc/08/20/64/487082064.db2.gz LRQYSYYXJVNTBE-IYBDPMFKSA-N 2 2 333.480 1.327 20 0 EDADLP CN(C(=O)c1ccc2n[nH]cc2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673741418 487104039 /nfs/dbraw/zinc/10/40/39/487104039.db2.gz YHAHLDMZVCWLAP-KRWDZBQOSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1ccc2n[nH]cc2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673741418 487104043 /nfs/dbraw/zinc/10/40/43/487104043.db2.gz YHAHLDMZVCWLAP-KRWDZBQOSA-N 2 2 341.459 1.803 20 0 EDADLP CN1CCC[C@H]([N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000681711244 487138789 /nfs/dbraw/zinc/13/87/89/487138789.db2.gz GAVCXLPQVUQVMZ-PKOBYXMFSA-N 2 2 331.460 1.176 20 0 EDADLP CN1CCC[C@H]([N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000681711244 487138793 /nfs/dbraw/zinc/13/87/93/487138793.db2.gz GAVCXLPQVUQVMZ-PKOBYXMFSA-N 2 2 331.460 1.176 20 0 EDADLP CN1CCC[C@H]([NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000681711244 487138796 /nfs/dbraw/zinc/13/87/96/487138796.db2.gz GAVCXLPQVUQVMZ-PKOBYXMFSA-N 2 2 331.460 1.176 20 0 EDADLP CN1CCC[C@H]([NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000681711244 487138801 /nfs/dbraw/zinc/13/88/01/487138801.db2.gz GAVCXLPQVUQVMZ-PKOBYXMFSA-N 2 2 331.460 1.176 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCSC1 ZINC000673982033 487176252 /nfs/dbraw/zinc/17/62/52/487176252.db2.gz JGRSBRHBKMRCBW-GDBMZVCRSA-N 2 2 337.493 1.667 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000674157905 487209332 /nfs/dbraw/zinc/20/93/32/487209332.db2.gz HYHYTCNNSVUUBV-DOTOQJQBSA-N 2 2 345.491 1.653 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000674157905 487209334 /nfs/dbraw/zinc/20/93/34/487209334.db2.gz HYHYTCNNSVUUBV-DOTOQJQBSA-N 2 2 345.491 1.653 20 0 EDADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)nn1 ZINC000678082653 487244036 /nfs/dbraw/zinc/24/40/36/487244036.db2.gz PKYQJUHTMQNCJB-INIZCTEOSA-N 2 2 331.464 1.334 20 0 EDADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)nn1 ZINC000678082653 487244038 /nfs/dbraw/zinc/24/40/38/487244038.db2.gz PKYQJUHTMQNCJB-INIZCTEOSA-N 2 2 331.464 1.334 20 0 EDADLP COC[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000674497704 487268068 /nfs/dbraw/zinc/26/80/68/487268068.db2.gz CCYDQCIINVZBRR-INIZCTEOSA-N 2 2 337.489 1.503 20 0 EDADLP COC[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000674497704 487268072 /nfs/dbraw/zinc/26/80/72/487268072.db2.gz CCYDQCIINVZBRR-INIZCTEOSA-N 2 2 337.489 1.503 20 0 EDADLP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000685412786 487270283 /nfs/dbraw/zinc/27/02/83/487270283.db2.gz WZBYZCRVYIPUQY-RBUKOAKNSA-N 2 2 348.487 1.921 20 0 EDADLP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000685412786 487270285 /nfs/dbraw/zinc/27/02/85/487270285.db2.gz WZBYZCRVYIPUQY-RBUKOAKNSA-N 2 2 348.487 1.921 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(NS(C)(=O)=O)c2)CC[N@@H+]1C ZINC000678277877 487279973 /nfs/dbraw/zinc/27/99/73/487279973.db2.gz GFKFDVDIBDGBPG-CJNGLKHVSA-N 2 2 325.478 1.973 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(NS(C)(=O)=O)c2)CC[N@H+]1C ZINC000678277877 487279977 /nfs/dbraw/zinc/27/99/77/487279977.db2.gz GFKFDVDIBDGBPG-CJNGLKHVSA-N 2 2 325.478 1.973 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(NS(C)(=O)=O)c2)CC[NH+]1C ZINC000678277877 487279979 /nfs/dbraw/zinc/27/99/79/487279979.db2.gz GFKFDVDIBDGBPG-CJNGLKHVSA-N 2 2 325.478 1.973 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(NS(C)(=O)=O)c2)CC[NH+]1C ZINC000678277877 487279984 /nfs/dbraw/zinc/27/99/84/487279984.db2.gz GFKFDVDIBDGBPG-CJNGLKHVSA-N 2 2 325.478 1.973 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561275 487296094 /nfs/dbraw/zinc/29/60/94/487296094.db2.gz CEHJVORSRYZRCQ-DOTOQJQBSA-N 2 2 347.507 1.639 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561275 487296096 /nfs/dbraw/zinc/29/60/96/487296096.db2.gz CEHJVORSRYZRCQ-DOTOQJQBSA-N 2 2 347.507 1.639 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561275 487296098 /nfs/dbraw/zinc/29/60/98/487296098.db2.gz CEHJVORSRYZRCQ-DOTOQJQBSA-N 2 2 347.507 1.639 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561275 487296099 /nfs/dbraw/zinc/29/60/99/487296099.db2.gz CEHJVORSRYZRCQ-DOTOQJQBSA-N 2 2 347.507 1.639 20 0 EDADLP C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000685790331 487324228 /nfs/dbraw/zinc/32/42/28/487324228.db2.gz SJOCOUDCRJXWQB-YJBOKZPZSA-N 2 2 342.443 1.309 20 0 EDADLP C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685790331 487324231 /nfs/dbraw/zinc/32/42/31/487324231.db2.gz SJOCOUDCRJXWQB-YJBOKZPZSA-N 2 2 342.443 1.309 20 0 EDADLP COc1ccc2c(c1)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)CCS2 ZINC000682436793 487362884 /nfs/dbraw/zinc/36/28/84/487362884.db2.gz NZSUWQUCMRBPJQ-OAHLLOKOSA-N 2 2 335.473 1.596 20 0 EDADLP CN(C(=O)[C@H]1CCc2nccn2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682498744 487376895 /nfs/dbraw/zinc/37/68/95/487376895.db2.gz GSVUSUXJTPRUCW-RDJZCZTQSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2nccn2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682498744 487376897 /nfs/dbraw/zinc/37/68/97/487376897.db2.gz GSVUSUXJTPRUCW-RDJZCZTQSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682498744 487376899 /nfs/dbraw/zinc/37/68/99/487376899.db2.gz GSVUSUXJTPRUCW-RDJZCZTQSA-N 3 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682498744 487376901 /nfs/dbraw/zinc/37/69/01/487376901.db2.gz GSVUSUXJTPRUCW-RDJZCZTQSA-N 3 2 345.491 1.072 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)[nH+]c12 ZINC000675107217 487378619 /nfs/dbraw/zinc/37/86/19/487378619.db2.gz GNANNYLAWMDNDC-RHSMWYFYSA-N 2 2 341.459 1.967 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)[nH+]c12 ZINC000675107217 487378622 /nfs/dbraw/zinc/37/86/22/487378622.db2.gz GNANNYLAWMDNDC-RHSMWYFYSA-N 2 2 341.459 1.967 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)[nH+]c12 ZINC000675107219 487378884 /nfs/dbraw/zinc/37/88/84/487378884.db2.gz GNANNYLAWMDNDC-YOEHRIQHSA-N 2 2 341.459 1.967 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)[nH+]c12 ZINC000675107219 487378888 /nfs/dbraw/zinc/37/88/88/487378888.db2.gz GNANNYLAWMDNDC-YOEHRIQHSA-N 2 2 341.459 1.967 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682609239 487396856 /nfs/dbraw/zinc/39/68/56/487396856.db2.gz INQOPZJANNLSMD-INIZCTEOSA-N 2 2 339.443 1.621 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1F ZINC000679294687 487410283 /nfs/dbraw/zinc/41/02/83/487410283.db2.gz HPHQKBQIKKOBBX-FMKPAKJESA-N 2 2 326.460 1.544 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1F ZINC000679294687 487410286 /nfs/dbraw/zinc/41/02/86/487410286.db2.gz HPHQKBQIKKOBBX-FMKPAKJESA-N 2 2 326.460 1.544 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)[C@H]2C1 ZINC000679373346 487418840 /nfs/dbraw/zinc/41/88/40/487418840.db2.gz MNGSHSQKFZZTEV-YJBOKZPZSA-N 2 2 328.460 1.738 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)[C@H]2C1 ZINC000679373346 487418842 /nfs/dbraw/zinc/41/88/42/487418842.db2.gz MNGSHSQKFZZTEV-YJBOKZPZSA-N 2 2 328.460 1.738 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000679461115 487428588 /nfs/dbraw/zinc/42/85/88/487428588.db2.gz OJLLAMRMOYNMDO-UHFFFAOYSA-N 2 2 343.431 1.555 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000675735046 487439999 /nfs/dbraw/zinc/43/99/99/487439999.db2.gz CGHDEMWJVCTJTH-BZUAXINKSA-N 2 2 344.463 1.812 20 0 EDADLP CC(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675795348 487444597 /nfs/dbraw/zinc/44/45/97/487444597.db2.gz BQAMMWLSZSGJCG-KRWDZBQOSA-N 2 2 329.444 1.788 20 0 EDADLP CC(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675795348 487444601 /nfs/dbraw/zinc/44/46/01/487444601.db2.gz BQAMMWLSZSGJCG-KRWDZBQOSA-N 2 2 329.444 1.788 20 0 EDADLP Cc1cc(C)cc(OCC[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000675899872 487457807 /nfs/dbraw/zinc/45/78/07/487457807.db2.gz QEQRTLJXWUYAJN-IBGZPJMESA-N 2 2 345.487 1.921 20 0 EDADLP Cc1cc(C)cc(OCC[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000675899872 487457809 /nfs/dbraw/zinc/45/78/09/487457809.db2.gz QEQRTLJXWUYAJN-IBGZPJMESA-N 2 2 345.487 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)[nH+]c12 ZINC000669511926 485477150 /nfs/dbraw/zinc/47/71/50/485477150.db2.gz NRNMRVVLXNBWNV-HOCLYGCPSA-N 2 2 327.432 1.579 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000669543274 485529652 /nfs/dbraw/zinc/52/96/52/485529652.db2.gz VEOVOISQMOVZOG-CGTJXYLNSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000669543274 485529657 /nfs/dbraw/zinc/52/96/57/485529657.db2.gz VEOVOISQMOVZOG-CGTJXYLNSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000669576408 485619253 /nfs/dbraw/zinc/61/92/53/485619253.db2.gz FEEXBYZPIROPER-ZYSHUDEJSA-N 2 2 338.455 1.980 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000669576408 485619260 /nfs/dbraw/zinc/61/92/60/485619260.db2.gz FEEXBYZPIROPER-ZYSHUDEJSA-N 2 2 338.455 1.980 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)[N@H+](C)C1 ZINC000456701816 485644474 /nfs/dbraw/zinc/64/44/74/485644474.db2.gz PHYMZSVSIBBUDU-YLVFBTJISA-N 2 2 346.431 1.556 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)[N@@H+](C)C1 ZINC000456701816 485644480 /nfs/dbraw/zinc/64/44/80/485644480.db2.gz PHYMZSVSIBBUDU-YLVFBTJISA-N 2 2 346.431 1.556 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668419621 485730599 /nfs/dbraw/zinc/73/05/99/485730599.db2.gz HYRSBOPFUCBCHI-HOTGVXAUSA-N 2 2 345.491 1.143 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668419621 485730605 /nfs/dbraw/zinc/73/06/05/485730605.db2.gz HYRSBOPFUCBCHI-HOTGVXAUSA-N 2 2 345.491 1.143 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668419621 485730611 /nfs/dbraw/zinc/73/06/11/485730611.db2.gz HYRSBOPFUCBCHI-HOTGVXAUSA-N 2 2 345.491 1.143 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668419621 485730618 /nfs/dbraw/zinc/73/06/18/485730618.db2.gz HYRSBOPFUCBCHI-HOTGVXAUSA-N 2 2 345.491 1.143 20 0 EDADLP [NH3+]C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000669165038 485760931 /nfs/dbraw/zinc/76/09/31/485760931.db2.gz FFZVUQCXHPVEMH-HNNXBMFYSA-N 2 2 331.464 1.952 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000236979324 485947240 /nfs/dbraw/zinc/94/72/40/485947240.db2.gz CSHABWHFTXZLDA-MSOLQXFVSA-N 2 2 331.460 1.857 20 0 EDADLP Cc1ccn([C@@H](C)CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668616962 485953885 /nfs/dbraw/zinc/95/38/85/485953885.db2.gz IKLPTXDIUZYQQH-FUHWJXTLSA-N 2 2 347.507 1.770 20 0 EDADLP Cc1ccn([C@@H](C)CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668616962 485953889 /nfs/dbraw/zinc/95/38/89/485953889.db2.gz IKLPTXDIUZYQQH-FUHWJXTLSA-N 2 2 347.507 1.770 20 0 EDADLP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000237966127 486020405 /nfs/dbraw/zinc/02/04/05/486020405.db2.gz LSQCMNURPPLLLC-CRAIPNDOSA-N 2 2 329.444 1.054 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000515171311 486057880 /nfs/dbraw/zinc/05/78/80/486057880.db2.gz OOPBNPDBOSSLJM-WCQYABFASA-N 2 2 344.242 1.616 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000515171311 486057884 /nfs/dbraw/zinc/05/78/84/486057884.db2.gz OOPBNPDBOSSLJM-WCQYABFASA-N 2 2 344.242 1.616 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669413069 486117092 /nfs/dbraw/zinc/11/70/92/486117092.db2.gz GCNCAYMZGFJRGD-OKILXGFUSA-N 2 2 329.379 1.372 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000601323648 486317548 /nfs/dbraw/zinc/31/75/48/486317548.db2.gz DACVNBZASVALBK-PBHICJAKSA-N 2 2 347.459 1.681 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000601323648 486317553 /nfs/dbraw/zinc/31/75/53/486317553.db2.gz DACVNBZASVALBK-PBHICJAKSA-N 2 2 347.459 1.681 20 0 EDADLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000390522721 486460435 /nfs/dbraw/zinc/46/04/35/486460435.db2.gz BTFXYTPOXOMZQX-AWEZNQCLSA-N 2 2 328.338 1.272 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672149547 486460804 /nfs/dbraw/zinc/46/08/04/486460804.db2.gz QWVHWCYVFBLXIV-ZDUSSCGKSA-N 2 2 339.403 1.164 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000121153786 490998851 /nfs/dbraw/zinc/99/88/51/490998851.db2.gz JINIVGUFHLWMNB-HZPDHXFCSA-N 2 2 329.448 1.444 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000121153786 490998852 /nfs/dbraw/zinc/99/88/52/490998852.db2.gz JINIVGUFHLWMNB-HZPDHXFCSA-N 2 2 329.448 1.444 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000079670105 491011546 /nfs/dbraw/zinc/01/15/46/491011546.db2.gz NNWJJZWEUJTQQK-UHFFFAOYSA-N 2 2 344.459 1.826 20 0 EDADLP COc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000665598088 500852129 /nfs/dbraw/zinc/85/21/29/500852129.db2.gz XPRZLWCGIRUTMT-UHFFFAOYSA-N 2 2 326.416 1.839 20 0 EDADLP COc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000665598088 500852133 /nfs/dbraw/zinc/85/21/33/500852133.db2.gz XPRZLWCGIRUTMT-UHFFFAOYSA-N 2 2 326.416 1.839 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CCOC1 ZINC000155155903 533932818 /nfs/dbraw/zinc/93/28/18/533932818.db2.gz PMGHJJQEFCDNJD-WMZOPIPTSA-N 2 2 334.460 1.912 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262244029 534709081 /nfs/dbraw/zinc/70/90/81/534709081.db2.gz PJAFWTKNZNRBKJ-CABCVRRESA-N 2 2 332.448 1.285 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262244029 534709087 /nfs/dbraw/zinc/70/90/87/534709087.db2.gz PJAFWTKNZNRBKJ-CABCVRRESA-N 2 2 332.448 1.285 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CCn2cc[nH+]c2)C1 ZINC000183673847 527769740 /nfs/dbraw/zinc/76/97/40/527769740.db2.gz SYYANTPOVASPNH-UHFFFAOYSA-N 2 2 337.420 1.525 20 0 EDADLP CCC(CC)N(CCOC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340251782 535044436 /nfs/dbraw/zinc/04/44/36/535044436.db2.gz JGRLLLRSSYNYBC-UHFFFAOYSA-N 2 2 342.528 1.859 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)C2 ZINC000261756025 535135627 /nfs/dbraw/zinc/13/56/27/535135627.db2.gz LKSJFJFXCRUHIV-XJKSGUPXSA-N 2 2 334.464 1.366 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271682216 535503484 /nfs/dbraw/zinc/50/34/84/535503484.db2.gz SBHRPVODOQFVQA-HNNXBMFYSA-N 2 2 343.431 1.572 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271682216 535503489 /nfs/dbraw/zinc/50/34/89/535503489.db2.gz SBHRPVODOQFVQA-HNNXBMFYSA-N 2 2 343.431 1.572 20 0 EDADLP CC[C@]1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000248779904 535881295 /nfs/dbraw/zinc/88/12/95/535881295.db2.gz ZSQDLHZDJGUCKG-YZVOILCLSA-N 2 2 346.475 1.844 20 0 EDADLP CC[C@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@@H+]1C[C@@H](C)O ZINC000271590879 536124267 /nfs/dbraw/zinc/12/42/67/536124267.db2.gz XHNHSLSYVBTRMH-ZBFHGGJFSA-N 2 2 345.447 1.952 20 0 EDADLP CC[C@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@H+]1C[C@@H](C)O ZINC000271590879 536124268 /nfs/dbraw/zinc/12/42/68/536124268.db2.gz XHNHSLSYVBTRMH-ZBFHGGJFSA-N 2 2 345.447 1.952 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000346787013 536330187 /nfs/dbraw/zinc/33/01/87/536330187.db2.gz GDDACBQGPHIOAO-WOSRLPQWSA-N 2 2 325.478 1.728 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000346787013 536330188 /nfs/dbraw/zinc/33/01/88/536330188.db2.gz GDDACBQGPHIOAO-WOSRLPQWSA-N 2 2 325.478 1.728 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333022285 536442990 /nfs/dbraw/zinc/44/29/90/536442990.db2.gz JPMANNKNQQJHGM-CVEARBPZSA-N 2 2 332.448 1.015 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333022285 536442992 /nfs/dbraw/zinc/44/29/92/536442992.db2.gz JPMANNKNQQJHGM-CVEARBPZSA-N 2 2 332.448 1.015 20 0 EDADLP COc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1OC(C)C ZINC000347011380 536745195 /nfs/dbraw/zinc/74/51/95/536745195.db2.gz UTPSTXJLVFFWGK-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1OC(C)C ZINC000347011380 536745200 /nfs/dbraw/zinc/74/52/00/536745200.db2.gz UTPSTXJLVFFWGK-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000742404868 579451137 /nfs/dbraw/zinc/45/11/37/579451137.db2.gz NIFRLCUPXFIUIO-JKSUJKDBSA-N 2 2 342.447 1.784 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000742404868 579451138 /nfs/dbraw/zinc/45/11/38/579451138.db2.gz NIFRLCUPXFIUIO-JKSUJKDBSA-N 2 2 342.447 1.784 20 0 EDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)CC[NH+]1CCOCC1)c1ccccc1 ZINC000742859403 579464224 /nfs/dbraw/zinc/46/42/24/579464224.db2.gz YHLHYELOBPRLDC-QGZVFWFLSA-N 2 2 342.443 1.542 20 0 EDADLP Fc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC000737648490 578279018 /nfs/dbraw/zinc/27/90/18/578279018.db2.gz KAEWMMWWPQNCPL-CYBMUJFWSA-N 2 2 346.410 1.160 20 0 EDADLP Fc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC000737648490 578279019 /nfs/dbraw/zinc/27/90/19/578279019.db2.gz KAEWMMWWPQNCPL-CYBMUJFWSA-N 2 2 346.410 1.160 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000726256334 578339016 /nfs/dbraw/zinc/33/90/16/578339016.db2.gz ODPFJQWZENHUGS-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000726256334 578339017 /nfs/dbraw/zinc/33/90/17/578339017.db2.gz ODPFJQWZENHUGS-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000726256334 578339018 /nfs/dbraw/zinc/33/90/18/578339018.db2.gz ODPFJQWZENHUGS-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000726256334 578339019 /nfs/dbraw/zinc/33/90/19/578339019.db2.gz ODPFJQWZENHUGS-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000726259619 578340430 /nfs/dbraw/zinc/34/04/30/578340430.db2.gz NUYHTOWFOBQWLS-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000726259619 578340431 /nfs/dbraw/zinc/34/04/31/578340431.db2.gz NUYHTOWFOBQWLS-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000729927513 578598322 /nfs/dbraw/zinc/59/83/22/578598322.db2.gz NLBQPNCEVXNGDB-ZDUSSCGKSA-N 2 2 346.427 1.776 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000729927513 578598324 /nfs/dbraw/zinc/59/83/24/578598324.db2.gz NLBQPNCEVXNGDB-ZDUSSCGKSA-N 2 2 346.427 1.776 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@@H](O)c2cccc(F)c2)nc[nH+]1 ZINC000729920134 578599460 /nfs/dbraw/zinc/59/94/60/578599460.db2.gz GMTCCXUNCHIYPL-HZPDHXFCSA-N 2 2 345.422 1.949 20 0 EDADLP Cc1nc(CCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000733153596 578744177 /nfs/dbraw/zinc/74/41/77/578744177.db2.gz DIUWMNJVCIUUSJ-AWEZNQCLSA-N 2 2 336.505 1.669 20 0 EDADLP Cc1nc(CCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000733153596 578744178 /nfs/dbraw/zinc/74/41/78/578744178.db2.gz DIUWMNJVCIUUSJ-AWEZNQCLSA-N 2 2 336.505 1.669 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)[C@@H]4[C@@H]5CCC[C@@H]5CN4C3=O)C2)CC1 ZINC000761307206 580054497 /nfs/dbraw/zinc/05/44/97/580054497.db2.gz YEYQKOOPNAGCOT-XBVQOTNRSA-N 2 2 346.475 1.218 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)[C@@H]4[C@@H]5CCC[C@@H]5CN4C3=O)C2)CC1 ZINC000761307206 580054498 /nfs/dbraw/zinc/05/44/98/580054498.db2.gz YEYQKOOPNAGCOT-XBVQOTNRSA-N 2 2 346.475 1.218 20 0 EDADLP O=C(Cn1cc[nH+]c1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000746334747 579588029 /nfs/dbraw/zinc/58/80/29/579588029.db2.gz PLPUWXPJIOGAND-SFHVURJKSA-N 2 2 342.443 1.445 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC12CCOCC2 ZINC000777536637 580443861 /nfs/dbraw/zinc/44/38/61/580443861.db2.gz FTUZTQMPUXFMAV-QGZVFWFLSA-N 2 2 335.492 1.781 20 0 EDADLP O=C1N(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCC12CCOCC2 ZINC000777536637 580443862 /nfs/dbraw/zinc/44/38/62/580443862.db2.gz FTUZTQMPUXFMAV-QGZVFWFLSA-N 2 2 335.492 1.781 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777665974 580448033 /nfs/dbraw/zinc/44/80/33/580448033.db2.gz SPBIYLOAIPZSNU-JKSUJKDBSA-N 2 2 347.463 1.141 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000750042922 579749593 /nfs/dbraw/zinc/74/95/93/579749593.db2.gz AQDLELALNPYLCI-IRXDYDNUSA-N 2 2 327.432 1.298 20 0 EDADLP Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(N(C)C)[nH+]1 ZINC000750391119 579761640 /nfs/dbraw/zinc/76/16/40/579761640.db2.gz VEPIJDGMUFEBIX-UONOGXRCSA-N 2 2 333.436 1.441 20 0 EDADLP Cc1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(N(C)C)[nH+]1 ZINC000750391119 579761642 /nfs/dbraw/zinc/76/16/42/579761642.db2.gz VEPIJDGMUFEBIX-UONOGXRCSA-N 2 2 333.436 1.441 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CSCCS1 ZINC000751019154 579791749 /nfs/dbraw/zinc/79/17/49/579791749.db2.gz QVKQTKVADJTFDV-CQSZACIVSA-N 2 2 331.551 1.319 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CSCCS1 ZINC000751019154 579791750 /nfs/dbraw/zinc/79/17/50/579791750.db2.gz QVKQTKVADJTFDV-CQSZACIVSA-N 2 2 331.551 1.319 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)CCO2 ZINC000766022636 580156873 /nfs/dbraw/zinc/15/68/73/580156873.db2.gz GKZALXPRVSITSQ-APWZRJJASA-N 2 2 345.487 1.679 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000766054921 580157689 /nfs/dbraw/zinc/15/76/89/580157689.db2.gz ZZFMUQDCVWMOSZ-UHFFFAOYSA-N 2 2 345.472 1.431 20 0 EDADLP CC[C@]1(C)CC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000767963662 580204234 /nfs/dbraw/zinc/20/42/34/580204234.db2.gz ARXFIAJSIQHMPQ-GOSISDBHSA-N 2 2 337.464 1.163 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3coc(C4CC4)n3)CC2)CC1 ZINC000769339157 580234248 /nfs/dbraw/zinc/23/42/48/580234248.db2.gz UWJWSVTWQGLKHK-UHFFFAOYSA-N 2 2 346.475 1.928 20 0 EDADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000773007248 580325104 /nfs/dbraw/zinc/32/51/04/580325104.db2.gz OSRZHSNIHVYQLE-IEBWSBKVSA-N 2 2 343.471 1.505 20 0 EDADLP Cn1nccc1CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000781154375 580543356 /nfs/dbraw/zinc/54/33/56/580543356.db2.gz NNXBZZSZSDHFGG-INIZCTEOSA-N 2 2 329.404 1.320 20 0 EDADLP Cn1nccc1CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000781154375 580543357 /nfs/dbraw/zinc/54/33/57/580543357.db2.gz NNXBZZSZSDHFGG-INIZCTEOSA-N 2 2 329.404 1.320 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000783775950 580606007 /nfs/dbraw/zinc/60/60/07/580606007.db2.gz KBRUQLJXVNCSMK-WCVJEAGWSA-N 2 2 339.480 1.344 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C3CCOCC3)C2)C1 ZINC000783993564 580610935 /nfs/dbraw/zinc/61/09/35/580610935.db2.gz YACKFJPXXBPSKU-JKSUJKDBSA-N 2 2 332.448 1.442 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](C3CCOCC3)C2)C1 ZINC000783993564 580610936 /nfs/dbraw/zinc/61/09/36/580610936.db2.gz YACKFJPXXBPSKU-JKSUJKDBSA-N 2 2 332.448 1.442 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC000790706961 580776663 /nfs/dbraw/zinc/77/66/63/580776663.db2.gz KEVYPKWYODUKSD-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CCO1 ZINC000790706961 580776660 /nfs/dbraw/zinc/77/66/60/580776660.db2.gz KEVYPKWYODUKSD-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CCO1 ZINC000790706961 580776661 /nfs/dbraw/zinc/77/66/61/580776661.db2.gz KEVYPKWYODUKSD-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000790706961 580776662 /nfs/dbraw/zinc/77/66/62/580776662.db2.gz KEVYPKWYODUKSD-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1cc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)n(C)n1 ZINC000793529797 580847159 /nfs/dbraw/zinc/84/71/59/580847159.db2.gz VGOCXPONNRMYEJ-OAHLLOKOSA-N 2 2 328.464 1.726 20 0 EDADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3ncn(-c4ccccc4)c3=O)C2)CC1 ZINC000795444200 580923244 /nfs/dbraw/zinc/92/32/44/580923244.db2.gz XGFDODXVIDBYTO-QGZVFWFLSA-N 2 2 341.459 1.655 20 0 EDADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ncn(-c4ccccc4)c3=O)C2)CC1 ZINC000795444200 580923245 /nfs/dbraw/zinc/92/32/45/580923245.db2.gz XGFDODXVIDBYTO-QGZVFWFLSA-N 2 2 341.459 1.655 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000799136018 581018134 /nfs/dbraw/zinc/01/81/34/581018134.db2.gz IZIJYBUCXOHKHG-URLQWDBASA-N 2 2 348.491 1.717 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000799136018 581018135 /nfs/dbraw/zinc/01/81/35/581018135.db2.gz IZIJYBUCXOHKHG-URLQWDBASA-N 2 2 348.491 1.717 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1=O ZINC000799136018 581018136 /nfs/dbraw/zinc/01/81/36/581018136.db2.gz IZIJYBUCXOHKHG-URLQWDBASA-N 2 2 348.491 1.717 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1=O ZINC000799136018 581018137 /nfs/dbraw/zinc/01/81/37/581018137.db2.gz IZIJYBUCXOHKHG-URLQWDBASA-N 2 2 348.491 1.717 20 0 EDADLP C[N@@H+]1CC[C@@](O)(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)C1 ZINC000893186903 590701714 /nfs/dbraw/zinc/70/17/14/590701714.db2.gz IDGXWQZLUYHXIU-QGZVFWFLSA-N 2 2 342.378 1.433 20 0 EDADLP C[N@H+]1CC[C@@](O)(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)C1 ZINC000893186903 590701716 /nfs/dbraw/zinc/70/17/16/590701716.db2.gz IDGXWQZLUYHXIU-QGZVFWFLSA-N 2 2 342.378 1.433 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000891978793 590720853 /nfs/dbraw/zinc/72/08/53/590720853.db2.gz HEXMYPBRCXOSEU-NVXWUHKLSA-N 2 2 327.432 1.923 20 0 EDADLP C[NH2+]CCNC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000891994234 590733213 /nfs/dbraw/zinc/73/32/13/590733213.db2.gz PTWPYWBBCDFTTI-UHFFFAOYSA-N 2 2 327.432 1.607 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000892017015 590748638 /nfs/dbraw/zinc/74/86/38/590748638.db2.gz PEIAPZOXMAGZBR-MSOLQXFVSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000892017015 590748641 /nfs/dbraw/zinc/74/86/41/590748641.db2.gz PEIAPZOXMAGZBR-MSOLQXFVSA-N 2 2 346.475 1.247 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892045693 590769599 /nfs/dbraw/zinc/76/95/99/590769599.db2.gz ZRYSXGDHQRHIRA-JKSUJKDBSA-N 2 2 330.444 1.399 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892045693 590769604 /nfs/dbraw/zinc/76/96/04/590769604.db2.gz ZRYSXGDHQRHIRA-JKSUJKDBSA-N 2 2 330.444 1.399 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[NH2+]1 ZINC000892095970 590795488 /nfs/dbraw/zinc/79/54/88/590795488.db2.gz HDTCIDHSTUNXDW-HIFRSBDPSA-N 2 2 349.504 1.575 20 0 EDADLP Cc1cc(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(C)[nH+]1 ZINC000892188893 590854877 /nfs/dbraw/zinc/85/48/77/590854877.db2.gz PYOYMSTWWOFUFE-CHWSQXEVSA-N 2 2 330.354 1.977 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3c4c(nn3C)CCC4)CC2)CC1 ZINC000892191005 590856993 /nfs/dbraw/zinc/85/69/93/590856993.db2.gz CGMUKXYWQZESJQ-UHFFFAOYSA-N 2 2 345.535 1.899 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000892257241 590890350 /nfs/dbraw/zinc/89/03/50/590890350.db2.gz IWTDKYKGTUNBNS-HUUCEWRRSA-N 2 2 331.395 1.836 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000892281977 590911789 /nfs/dbraw/zinc/91/17/89/590911789.db2.gz RSTTWTXTKLNLTF-DOTOQJQBSA-N 2 2 325.416 1.718 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000892281977 590911792 /nfs/dbraw/zinc/91/17/92/590911792.db2.gz RSTTWTXTKLNLTF-DOTOQJQBSA-N 2 2 325.416 1.718 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C[NH2+]1 ZINC000892292326 590919498 /nfs/dbraw/zinc/91/94/98/590919498.db2.gz PAQNWPTXQVYABT-DZGCQCFKSA-N 2 2 349.504 1.575 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000893530772 590927363 /nfs/dbraw/zinc/92/73/63/590927363.db2.gz BCANEJZKCSDSQP-HNNXBMFYSA-N 2 2 341.496 1.992 20 0 EDADLP COc1cccc(-c2csc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)n2)c1 ZINC000893607141 591005122 /nfs/dbraw/zinc/00/51/22/591005122.db2.gz VGKABNXATKJKRF-QGZVFWFLSA-N 2 2 333.457 1.975 20 0 EDADLP COc1cccc(-c2csc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)n2)c1 ZINC000893607141 591005125 /nfs/dbraw/zinc/00/51/25/591005125.db2.gz VGKABNXATKJKRF-QGZVFWFLSA-N 2 2 333.457 1.975 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000893627200 591018243 /nfs/dbraw/zinc/01/82/43/591018243.db2.gz WOCKLNOBMCYXRA-IUODEOHRSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000893627200 591018247 /nfs/dbraw/zinc/01/82/47/591018247.db2.gz WOCKLNOBMCYXRA-IUODEOHRSA-N 2 2 327.432 1.925 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC000892431935 591025897 /nfs/dbraw/zinc/02/58/97/591025897.db2.gz GKTHZMFQRPZECJ-OAHLLOKOSA-N 2 2 327.469 1.744 20 0 EDADLP CCOCc1nc(C)cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000892489738 591046780 /nfs/dbraw/zinc/04/67/80/591046780.db2.gz GMASOWGOCDLQFY-OAHLLOKOSA-N 2 2 333.480 1.902 20 0 EDADLP CCOCc1nc(C)cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000892489738 591046784 /nfs/dbraw/zinc/04/67/84/591046784.db2.gz GMASOWGOCDLQFY-OAHLLOKOSA-N 2 2 333.480 1.902 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000892582275 591080341 /nfs/dbraw/zinc/08/03/41/591080341.db2.gz SXJHZRNYBHMNMQ-SHTZXODSSA-N 2 2 346.479 1.477 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CCC([NH3+])CC3)C2)cc1 ZINC000892611533 591095465 /nfs/dbraw/zinc/09/54/65/591095465.db2.gz OIGVMJAWESSYJV-SFHVURJKSA-N 2 2 346.475 1.329 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CCC([NH3+])CC3)C2)cc1 ZINC000892611533 591095469 /nfs/dbraw/zinc/09/54/69/591095469.db2.gz OIGVMJAWESSYJV-SFHVURJKSA-N 2 2 346.475 1.329 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000891537828 591112111 /nfs/dbraw/zinc/11/21/11/591112111.db2.gz WOTLTUIZJPGPMZ-UHFFFAOYSA-N 2 2 331.395 1.837 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000891541650 591114634 /nfs/dbraw/zinc/11/46/34/591114634.db2.gz LGLRJWJAEUHKOL-KBAYOESNSA-N 2 2 346.475 1.061 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000892837711 591200680 /nfs/dbraw/zinc/20/06/80/591200680.db2.gz FSGBIEGLOSVVOK-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1CCC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000892837711 591200682 /nfs/dbraw/zinc/20/06/82/591200682.db2.gz FSGBIEGLOSVVOK-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](O)c1cccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891752752 591210971 /nfs/dbraw/zinc/21/09/71/591210971.db2.gz OHVHYTTUGTWOBO-RHSMWYFYSA-N 2 2 327.428 1.966 20 0 EDADLP C[C@@H](O)c1cccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891752752 591210975 /nfs/dbraw/zinc/21/09/75/591210975.db2.gz OHVHYTTUGTWOBO-RHSMWYFYSA-N 2 2 327.428 1.966 20 0 EDADLP COCc1nc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)cc(=O)[nH]1 ZINC000892949082 591236299 /nfs/dbraw/zinc/23/62/99/591236299.db2.gz KFNYRIVTIACGSP-UHFFFAOYSA-N 2 2 349.479 1.323 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCc2ccccc21 ZINC000894231020 591238294 /nfs/dbraw/zinc/23/82/94/591238294.db2.gz JSHZQOFMHVSKLQ-SFHVURJKSA-N 2 2 345.487 1.439 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCc2ccccc21 ZINC000894231020 591238296 /nfs/dbraw/zinc/23/82/96/591238296.db2.gz JSHZQOFMHVSKLQ-SFHVURJKSA-N 2 2 345.487 1.439 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c2c1OC(F)(F)O2 ZINC000895645911 591241218 /nfs/dbraw/zinc/24/12/18/591241218.db2.gz SYMOACMLHDUYQV-WFASDCNBSA-N 2 2 326.343 1.636 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c2c1OC(F)(F)O2 ZINC000895645911 591241219 /nfs/dbraw/zinc/24/12/19/591241219.db2.gz SYMOACMLHDUYQV-WFASDCNBSA-N 2 2 326.343 1.636 20 0 EDADLP Cc1n[nH]cc1C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892986432 591247395 /nfs/dbraw/zinc/24/73/95/591247395.db2.gz VUHWJRDXGDYTLE-UHFFFAOYSA-N 2 2 337.468 1.797 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000895740635 591262308 /nfs/dbraw/zinc/26/23/08/591262308.db2.gz XUPVZRNSLUBFTK-MAUKXSAKSA-N 2 2 349.475 1.571 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895763152 591267870 /nfs/dbraw/zinc/26/78/70/591267870.db2.gz BMYWOPKKCFROGJ-QGZVFWFLSA-N 2 2 344.459 1.409 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895806472 591277801 /nfs/dbraw/zinc/27/78/01/591277801.db2.gz CSYVQWCZDXXIDI-CQSZACIVSA-N 2 2 330.363 1.671 20 0 EDADLP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)o1 ZINC000894425018 591308513 /nfs/dbraw/zinc/30/85/13/591308513.db2.gz CYIFMSIZPFRXBV-GOOCMWNKSA-N 2 2 335.448 1.852 20 0 EDADLP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)o1 ZINC000894425018 591308516 /nfs/dbraw/zinc/30/85/16/591308516.db2.gz CYIFMSIZPFRXBV-GOOCMWNKSA-N 2 2 335.448 1.852 20 0 EDADLP Cc1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cnc1F ZINC000894451092 591315357 /nfs/dbraw/zinc/31/53/57/591315357.db2.gz AXWBGWKRBFVVLH-UHFFFAOYSA-N 2 2 334.439 1.515 20 0 EDADLP Cn1ncc(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C1CC1 ZINC000896000071 591319945 /nfs/dbraw/zinc/31/99/45/591319945.db2.gz NQLBWVGUYTWQBQ-UHFFFAOYSA-N 2 2 345.491 1.603 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCc3cn(C)c[nH+]3)C2)cc1 ZINC000896142144 591356776 /nfs/dbraw/zinc/35/67/76/591356776.db2.gz RGKYYKBZLULHQM-INIZCTEOSA-N 2 2 327.432 1.802 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCc3cn(C)c[nH+]3)C2)cc1 ZINC000896142144 591356778 /nfs/dbraw/zinc/35/67/78/591356778.db2.gz RGKYYKBZLULHQM-INIZCTEOSA-N 2 2 327.432 1.802 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000894817900 591428597 /nfs/dbraw/zinc/42/85/97/591428597.db2.gz YZVRHVYNIQNUHJ-ZBFHGGJFSA-N 2 2 341.496 1.726 20 0 EDADLP CS(=O)(=O)C1CC([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)C1 ZINC000898721837 591489179 /nfs/dbraw/zinc/48/91/79/591489179.db2.gz WCBUICXSQVNABG-XNWIYYODSA-N 2 2 348.266 1.126 20 0 EDADLP CC1(C)OC[C@H](C[NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)O1 ZINC000898722286 591489564 /nfs/dbraw/zinc/48/95/64/591489564.db2.gz ZOSBJNHBKRRPIJ-UWVGGRQHSA-N 2 2 330.226 1.702 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCN1C ZINC000896559606 591514260 /nfs/dbraw/zinc/51/42/60/591514260.db2.gz HHDWTSRYCJQFDP-BXWFABGCSA-N 2 2 344.503 1.184 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCN1C ZINC000896559606 591514261 /nfs/dbraw/zinc/51/42/61/591514261.db2.gz HHDWTSRYCJQFDP-BXWFABGCSA-N 2 2 344.503 1.184 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1C[N@H+](C)CCN1C ZINC000896559606 591514263 /nfs/dbraw/zinc/51/42/63/591514263.db2.gz HHDWTSRYCJQFDP-BXWFABGCSA-N 2 2 344.503 1.184 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896559606 591514264 /nfs/dbraw/zinc/51/42/64/591514264.db2.gz HHDWTSRYCJQFDP-BXWFABGCSA-N 2 2 344.503 1.184 20 0 EDADLP C[C@@H]1[C@H](NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000896552304 591517105 /nfs/dbraw/zinc/51/71/05/591517105.db2.gz ACUJODWFMKBSSE-GDBMZVCRSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1[C@H](NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000896552304 591517108 /nfs/dbraw/zinc/51/71/08/591517108.db2.gz ACUJODWFMKBSSE-GDBMZVCRSA-N 2 2 340.512 1.658 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621808 591591424 /nfs/dbraw/zinc/59/14/24/591591424.db2.gz UZJJYIVDIUPLFQ-QFBILLFUSA-N 2 2 348.491 1.835 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000897621808 591591426 /nfs/dbraw/zinc/59/14/26/591591426.db2.gz UZJJYIVDIUPLFQ-QFBILLFUSA-N 2 2 348.491 1.835 20 0 EDADLP CC(C)(CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)n1cc[nH+]c1 ZINC000898909203 591594872 /nfs/dbraw/zinc/59/48/72/591594872.db2.gz KHECHUGYMDVMAR-HNNXBMFYSA-N 2 2 336.505 1.952 20 0 EDADLP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC(C)(C)n2cc[nH+]c2)cn1 ZINC000898910948 591595660 /nfs/dbraw/zinc/59/56/60/591595660.db2.gz CKTUXZIUDNDMEA-HZPDHXFCSA-N 2 2 344.463 1.203 20 0 EDADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCC(C)(C)n2cc[nH+]c2)cn1 ZINC000898910948 591595661 /nfs/dbraw/zinc/59/56/61/591595661.db2.gz CKTUXZIUDNDMEA-HZPDHXFCSA-N 2 2 344.463 1.203 20 0 EDADLP Cc1cc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)c2c([nH+]1)CCCC2 ZINC000895114976 591595754 /nfs/dbraw/zinc/59/57/54/591595754.db2.gz OTUUAXJEKQQYOS-OAHLLOKOSA-N 2 2 330.476 1.821 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)c1 ZINC000896841892 591629449 /nfs/dbraw/zinc/62/94/49/591629449.db2.gz XQJAYVPBYGSPRG-HNNXBMFYSA-N 2 2 328.420 1.885 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)c1 ZINC000896841892 591629452 /nfs/dbraw/zinc/62/94/52/591629452.db2.gz XQJAYVPBYGSPRG-HNNXBMFYSA-N 2 2 328.420 1.885 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c2[nH+]ccn21 ZINC000895210467 591658531 /nfs/dbraw/zinc/65/85/31/591658531.db2.gz OPRDYTSBHGDJPS-QPSCCSFWSA-N 2 2 333.436 1.130 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c2[nH+]ccn21 ZINC000895210467 591658532 /nfs/dbraw/zinc/65/85/32/591658532.db2.gz OPRDYTSBHGDJPS-QPSCCSFWSA-N 2 2 333.436 1.130 20 0 EDADLP CCOC(=O)c1n[nH]c([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000895236717 591671758 /nfs/dbraw/zinc/67/17/58/591671758.db2.gz FESZMBUOUCTLKM-GFCCVEGCSA-N 2 2 344.419 1.696 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)Nc2cc3n(n2)CC[NH+](C)C3)[C@@H]1c1ccccc1 ZINC000899183678 591717533 /nfs/dbraw/zinc/71/75/33/591717533.db2.gz KVBNXRGWWWQOGO-WMZOPIPTSA-N 2 2 339.443 1.960 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)Nc2cc3n(n2)CC[NH+](C)C3)[C@@H]1c1ccccc1 ZINC000899183678 591717535 /nfs/dbraw/zinc/71/75/35/591717535.db2.gz KVBNXRGWWWQOGO-WMZOPIPTSA-N 2 2 339.443 1.960 20 0 EDADLP C[NH+]1CC[C@H](C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)[C@@H]1c1ccccc1 ZINC000899183678 591717538 /nfs/dbraw/zinc/71/75/38/591717538.db2.gz KVBNXRGWWWQOGO-WMZOPIPTSA-N 2 2 339.443 1.960 20 0 EDADLP C[NH+]1CC[C@H](C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)[C@@H]1c1ccccc1 ZINC000899183678 591717539 /nfs/dbraw/zinc/71/75/39/591717539.db2.gz KVBNXRGWWWQOGO-WMZOPIPTSA-N 2 2 339.443 1.960 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000899194858 591723040 /nfs/dbraw/zinc/72/30/40/591723040.db2.gz LPCSWOZKTJLAHU-GUDVDZBRSA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000899194858 591723044 /nfs/dbraw/zinc/72/30/44/591723044.db2.gz LPCSWOZKTJLAHU-GUDVDZBRSA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000899194858 591723046 /nfs/dbraw/zinc/72/30/46/591723046.db2.gz LPCSWOZKTJLAHU-GUDVDZBRSA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000899194858 591723050 /nfs/dbraw/zinc/72/30/50/591723050.db2.gz LPCSWOZKTJLAHU-GUDVDZBRSA-N 2 2 345.487 1.906 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)CSCC2 ZINC000895352880 591725069 /nfs/dbraw/zinc/72/50/69/591725069.db2.gz SIFKRFDBUXNBTN-CQSZACIVSA-N 2 2 338.521 1.752 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)CSCC2 ZINC000895352880 591725071 /nfs/dbraw/zinc/72/50/71/591725071.db2.gz SIFKRFDBUXNBTN-CQSZACIVSA-N 2 2 338.521 1.752 20 0 EDADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000897975495 591734815 /nfs/dbraw/zinc/73/48/15/591734815.db2.gz KKEVEHUEWZUYSA-VQIMIIECSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000897975495 591734819 /nfs/dbraw/zinc/73/48/19/591734819.db2.gz KKEVEHUEWZUYSA-VQIMIIECSA-N 2 2 343.471 1.440 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCO[C@@H]3CCOC3)c12 ZINC000899261624 591753075 /nfs/dbraw/zinc/75/30/75/591753075.db2.gz JIKXCYQOASDNQV-CYBMUJFWSA-N 2 2 326.360 1.428 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000895457256 591764502 /nfs/dbraw/zinc/76/45/02/591764502.db2.gz YDFZUBDRWUXHNG-KRWDZBQOSA-N 2 2 332.444 1.813 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000895457256 591764505 /nfs/dbraw/zinc/76/45/05/591764505.db2.gz YDFZUBDRWUXHNG-KRWDZBQOSA-N 2 2 332.444 1.813 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(C3CC3)n(C)n2)CC1 ZINC000897232049 591780553 /nfs/dbraw/zinc/78/05/53/591780553.db2.gz LECGVSLOYJIZNF-UHFFFAOYSA-N 2 2 334.464 1.805 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)n1cc[nH+]c1 ZINC000898109408 591785100 /nfs/dbraw/zinc/78/51/00/591785100.db2.gz BDLIYHVBPLYJTQ-KRWDZBQOSA-N 2 2 348.491 1.823 20 0 EDADLP Cc1cc(C(=O)NC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)c(C)o1 ZINC000727584905 591793552 /nfs/dbraw/zinc/79/35/52/591793552.db2.gz AGVLCHQIEMQCOD-KRWDZBQOSA-N 2 2 349.475 1.547 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)o2)CCN1c1cc[nH+]cc1 ZINC000895557468 591801099 /nfs/dbraw/zinc/80/10/99/591801099.db2.gz RHNCLGXZMJCAGZ-GFCCVEGCSA-N 2 2 336.417 1.033 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)o2)CCN1c1cc[nH+]cc1 ZINC000895557468 591801103 /nfs/dbraw/zinc/80/11/03/591801103.db2.gz RHNCLGXZMJCAGZ-GFCCVEGCSA-N 2 2 336.417 1.033 20 0 EDADLP Cc1[nH]c(C2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)[nH+]c1C ZINC000899514795 591835645 /nfs/dbraw/zinc/83/56/45/591835645.db2.gz WQSISFGXKRYXOU-MRXNPFEDSA-N 2 2 332.448 1.453 20 0 EDADLP C/C(=C\C(=O)NCCC[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900015426 591868274 /nfs/dbraw/zinc/86/82/74/591868274.db2.gz WLJWIMSPUBQUGX-OBGWFSINSA-N 2 2 345.487 1.903 20 0 EDADLP C/C(=C\C(=O)NCCC[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900015426 591868277 /nfs/dbraw/zinc/86/82/77/591868277.db2.gz WLJWIMSPUBQUGX-OBGWFSINSA-N 2 2 345.487 1.903 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900114958 591904416 /nfs/dbraw/zinc/90/44/16/591904416.db2.gz OHDGFPZDTZGIQS-DLBZAZTESA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900114958 591904418 /nfs/dbraw/zinc/90/44/18/591904418.db2.gz OHDGFPZDTZGIQS-DLBZAZTESA-N 2 2 344.459 1.551 20 0 EDADLP C/C(=C\C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C[NH+]1CCOCC1 ZINC000900261658 591964227 /nfs/dbraw/zinc/96/42/27/591964227.db2.gz WAAAXDFDZRWVIX-JQIJEIRASA-N 2 2 347.459 1.844 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCOCC1)COc1ccc2cc[nH]c2c1 ZINC000899856949 591965060 /nfs/dbraw/zinc/96/50/60/591965060.db2.gz ZGYXKUCBIJTOAC-INIZCTEOSA-N 2 2 333.432 1.220 20 0 EDADLP CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000902270865 591966386 /nfs/dbraw/zinc/96/63/86/591966386.db2.gz RKGKUNIYVJUPRV-CQSZACIVSA-N 2 2 342.484 1.535 20 0 EDADLP COCC[C@@H]1CCN(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1=O ZINC000902372555 591982137 /nfs/dbraw/zinc/98/21/37/591982137.db2.gz RYZCUQMWTANVLY-CVEARBPZSA-N 2 2 332.448 1.435 20 0 EDADLP COCC[C@@H]1CCN(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1=O ZINC000902372555 591982140 /nfs/dbraw/zinc/98/21/40/591982140.db2.gz RYZCUQMWTANVLY-CVEARBPZSA-N 2 2 332.448 1.435 20 0 EDADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000902437422 591995709 /nfs/dbraw/zinc/99/57/09/591995709.db2.gz HOYOYCWCNOECPE-YMRXKLBXSA-N 2 2 331.441 1.609 20 0 EDADLP COc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902468294 592000927 /nfs/dbraw/zinc/00/09/27/592000927.db2.gz UJBAKTYJBUEJGJ-NRSFXHEJSA-N 2 2 327.432 1.901 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000900449098 592020611 /nfs/dbraw/zinc/02/06/11/592020611.db2.gz PXPLXVDZXWUOIB-OAHLLOKOSA-N 2 2 348.447 1.322 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000900449098 592020615 /nfs/dbraw/zinc/02/06/15/592020615.db2.gz PXPLXVDZXWUOIB-OAHLLOKOSA-N 2 2 348.447 1.322 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000903063574 592112276 /nfs/dbraw/zinc/11/22/76/592112276.db2.gz FKRACCBKVYFQIB-KURKYZTESA-N 2 2 337.508 1.901 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000903063574 592112278 /nfs/dbraw/zinc/11/22/78/592112278.db2.gz FKRACCBKVYFQIB-KURKYZTESA-N 2 2 337.508 1.901 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCn3c(C)c(C)[nH+]c3C2)C1 ZINC000900777090 592121181 /nfs/dbraw/zinc/12/11/81/592121181.db2.gz MYWHACITXKEIDU-HNNXBMFYSA-N 2 2 348.447 1.117 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCn3c(C)c(C)[nH+]c3C2)C1 ZINC000900777090 592121184 /nfs/dbraw/zinc/12/11/84/592121184.db2.gz MYWHACITXKEIDU-HNNXBMFYSA-N 2 2 348.447 1.117 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903092993 592122150 /nfs/dbraw/zinc/12/21/50/592122150.db2.gz OGIOZNSVUJDNDZ-ZIAGYGMSSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903092993 592122153 /nfs/dbraw/zinc/12/21/53/592122153.db2.gz OGIOZNSVUJDNDZ-ZIAGYGMSSA-N 2 2 326.485 1.268 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000900982201 592189138 /nfs/dbraw/zinc/18/91/38/592189138.db2.gz DMNVNCXDMQMESA-UHFFFAOYSA-N 2 2 347.507 1.922 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900982997 592189542 /nfs/dbraw/zinc/18/95/42/592189542.db2.gz HHEYIIASEVXJFY-JLIAAPGKSA-N 2 2 335.492 1.740 20 0 EDADLP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900982997 592189544 /nfs/dbraw/zinc/18/95/44/592189544.db2.gz HHEYIIASEVXJFY-JLIAAPGKSA-N 2 2 335.492 1.740 20 0 EDADLP COc1ccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)c(C)c1C ZINC000903566459 592212741 /nfs/dbraw/zinc/21/27/41/592212741.db2.gz VERVBBNVRHQEDZ-UHFFFAOYSA-N 2 2 341.477 1.013 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907959140 592234166 /nfs/dbraw/zinc/23/41/66/592234166.db2.gz HSOIIDYPVNXAGG-UHFFFAOYSA-N 2 2 348.491 1.378 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000901117575 592238636 /nfs/dbraw/zinc/23/86/36/592238636.db2.gz JRYHEZDDSVNTNM-UHFFFAOYSA-N 2 2 334.464 1.623 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C[C@@H]1n1cc[nH+]c1 ZINC000906657911 592239984 /nfs/dbraw/zinc/23/99/84/592239984.db2.gz SXQGGVWGDASUEJ-CJNGLKHVSA-N 2 2 341.415 1.390 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)C(=O)Nc2ccccc2C[NH3+])CC1(C)C ZINC000906667095 592249031 /nfs/dbraw/zinc/24/90/31/592249031.db2.gz BNWISPLXFUZAQW-AWEZNQCLSA-N 2 2 341.415 1.427 20 0 EDADLP CC[N@H+](CCNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1)C(C)C ZINC000906682063 592263687 /nfs/dbraw/zinc/26/36/87/592263687.db2.gz LZDBVWLCQYETLH-AWEZNQCLSA-N 2 2 338.452 1.355 20 0 EDADLP CC[N@@H+](CCNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1)C(C)C ZINC000906682063 592263690 /nfs/dbraw/zinc/26/36/90/592263690.db2.gz LZDBVWLCQYETLH-AWEZNQCLSA-N 2 2 338.452 1.355 20 0 EDADLP CC[NH+](CCNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1)C(C)C ZINC000906682063 592263693 /nfs/dbraw/zinc/26/36/93/592263693.db2.gz LZDBVWLCQYETLH-AWEZNQCLSA-N 2 2 338.452 1.355 20 0 EDADLP CC[NH+](CCNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1)C(C)C ZINC000906682063 592263698 /nfs/dbraw/zinc/26/36/98/592263698.db2.gz LZDBVWLCQYETLH-AWEZNQCLSA-N 2 2 338.452 1.355 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1C[NH3+] ZINC000904662170 592308725 /nfs/dbraw/zinc/30/87/25/592308725.db2.gz WZFQFEABTMMZET-UHFFFAOYSA-N 3 2 333.480 1.635 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1C[NH3+] ZINC000904662170 592308730 /nfs/dbraw/zinc/30/87/30/592308730.db2.gz WZFQFEABTMMZET-UHFFFAOYSA-N 3 2 333.480 1.635 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)[C@H]1C ZINC000903815886 592324115 /nfs/dbraw/zinc/32/41/15/592324115.db2.gz UDCWJVTUCJQLQI-IXDOHACOSA-N 2 2 337.508 1.772 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CC[NH2+]CCC23CCOCC3)[C@H]1C ZINC000903815886 592324121 /nfs/dbraw/zinc/32/41/21/592324121.db2.gz UDCWJVTUCJQLQI-IXDOHACOSA-N 2 2 337.508 1.772 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CC[NH2+]CCC34CCOCC4)nc12 ZINC000903815345 592324826 /nfs/dbraw/zinc/32/48/26/592324826.db2.gz NEVSNAYKFIMSFH-UHFFFAOYSA-N 2 2 342.443 1.347 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CC[NH2+]CCC34CCOCC4)nc12 ZINC000903815345 592324832 /nfs/dbraw/zinc/32/48/32/592324832.db2.gz NEVSNAYKFIMSFH-UHFFFAOYSA-N 2 2 342.443 1.347 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000903824927 592333987 /nfs/dbraw/zinc/33/39/87/592333987.db2.gz VDEMMUYRISRYMQ-XWSJACJDSA-N 2 2 334.460 1.187 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000903824927 592333991 /nfs/dbraw/zinc/33/39/91/592333991.db2.gz VDEMMUYRISRYMQ-XWSJACJDSA-N 2 2 334.460 1.187 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C[C@H]1C ZINC000901318799 592339657 /nfs/dbraw/zinc/33/96/57/592339657.db2.gz OZLCKYYHUSDFAP-PMPSAXMXSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C[C@H]1C ZINC000901318799 592339660 /nfs/dbraw/zinc/33/96/60/592339660.db2.gz OZLCKYYHUSDFAP-PMPSAXMXSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@H]1C ZINC000901318799 592339665 /nfs/dbraw/zinc/33/96/65/592339665.db2.gz OZLCKYYHUSDFAP-PMPSAXMXSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@H]1C ZINC000901318799 592339668 /nfs/dbraw/zinc/33/96/68/592339668.db2.gz OZLCKYYHUSDFAP-PMPSAXMXSA-N 2 2 337.464 1.099 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000903891307 592352609 /nfs/dbraw/zinc/35/26/09/592352609.db2.gz LLRPIXAESBYSCO-OAHLLOKOSA-N 2 2 342.451 1.069 20 0 EDADLP CCCC(=O)NC1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903886748 592364961 /nfs/dbraw/zinc/36/49/61/592364961.db2.gz VZKWQPGWNBJILH-HNNXBMFYSA-N 2 2 334.468 1.083 20 0 EDADLP OC[C@H]1c2ccccc2CC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903895156 592367239 /nfs/dbraw/zinc/36/72/39/592367239.db2.gz KWBNIXBDNWHAJX-QAPCUYQASA-N 2 2 327.432 1.294 20 0 EDADLP OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903895156 592367244 /nfs/dbraw/zinc/36/72/44/592367244.db2.gz KWBNIXBDNWHAJX-QAPCUYQASA-N 2 2 327.432 1.294 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@H]([NH3+])CC(F)F)CC2)cc(OC)c1 ZINC000903899356 592370452 /nfs/dbraw/zinc/37/04/52/592370452.db2.gz SZJYJZJIPBJWCD-CQSZACIVSA-N 2 2 343.418 1.804 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cnn1C ZINC000903905389 592372864 /nfs/dbraw/zinc/37/28/64/592372864.db2.gz DOMUUJAYPRRSLI-DBVUQKKJSA-N 3 2 341.503 1.520 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cnn1C ZINC000903905389 592372869 /nfs/dbraw/zinc/37/28/69/592372869.db2.gz DOMUUJAYPRRSLI-DBVUQKKJSA-N 3 2 341.503 1.520 20 0 EDADLP FC(F)(F)c1csc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)n1 ZINC000903926899 592380530 /nfs/dbraw/zinc/38/05/30/592380530.db2.gz VIHKAKJXLLYYQE-VIFPVBQESA-N 2 2 346.382 1.968 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cnn1C ZINC000903933139 592385094 /nfs/dbraw/zinc/38/50/94/592385094.db2.gz YWUAPSSJJYLLRP-IEBWSBKVSA-N 3 2 349.523 1.033 20 0 EDADLP Nc1ccc2c(c1)OCC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903937291 592387123 /nfs/dbraw/zinc/38/71/23/592387123.db2.gz HESUTIGGWAWGNL-OAHLLOKOSA-N 2 2 328.420 1.179 20 0 EDADLP Nc1ccc2c(c1)OCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903937291 592387128 /nfs/dbraw/zinc/38/71/28/592387128.db2.gz HESUTIGGWAWGNL-OAHLLOKOSA-N 2 2 328.420 1.179 20 0 EDADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908251616 592406619 /nfs/dbraw/zinc/40/66/19/592406619.db2.gz IIINPAQDDFPVGN-MAUKXSAKSA-N 2 2 334.464 1.803 20 0 EDADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908251616 592406621 /nfs/dbraw/zinc/40/66/21/592406621.db2.gz IIINPAQDDFPVGN-MAUKXSAKSA-N 2 2 334.464 1.803 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H]3C[C@H](C)[NH+](C4CC4)C3)co2)C1 ZINC000906940927 592420951 /nfs/dbraw/zinc/42/09/51/592420951.db2.gz KNWOCYWTDSTUSH-GUTXKFCHSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H]3C[C@H](C)[NH+](C4CC4)C3)co2)C1 ZINC000906940927 592420954 /nfs/dbraw/zinc/42/09/54/592420954.db2.gz KNWOCYWTDSTUSH-GUTXKFCHSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)co2)C1 ZINC000906940927 592420957 /nfs/dbraw/zinc/42/09/57/592420957.db2.gz KNWOCYWTDSTUSH-GUTXKFCHSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)co2)C1 ZINC000906940927 592420960 /nfs/dbraw/zinc/42/09/60/592420960.db2.gz KNWOCYWTDSTUSH-GUTXKFCHSA-N 2 2 348.447 1.250 20 0 EDADLP C[C@@](O)(C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(F)F ZINC000905234173 592483243 /nfs/dbraw/zinc/48/32/43/592483243.db2.gz ULNUOWCGYYAZTH-DOTOQJQBSA-N 2 2 328.403 1.883 20 0 EDADLP C[C@@](O)(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(F)F ZINC000905234173 592483246 /nfs/dbraw/zinc/48/32/46/592483246.db2.gz ULNUOWCGYYAZTH-DOTOQJQBSA-N 2 2 328.403 1.883 20 0 EDADLP CC(C)CC[C@@H](O)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905445988 592527923 /nfs/dbraw/zinc/52/79/23/592527923.db2.gz ALRWDUFFWRYXTR-QZTJIDSGSA-N 2 2 327.513 1.170 20 0 EDADLP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2cc(N(C)C)cc[nH+]2)cc1 ZINC000905526162 592561516 /nfs/dbraw/zinc/56/15/16/592561516.db2.gz SWHDYEIXKBZPOC-SFHVURJKSA-N 2 2 343.427 1.880 20 0 EDADLP Cc1ccc(CNC(=O)C2CN(C)CC[N@H+](C)C2)c(N2CCCC2)[nH+]1 ZINC000907276555 592569228 /nfs/dbraw/zinc/56/92/28/592569228.db2.gz BDPXRGJOMDOGSP-UHFFFAOYSA-N 2 2 345.491 1.100 20 0 EDADLP Cc1ccc(CNC(=O)C2CN(C)CC[N@@H+](C)C2)c(N2CCCC2)[nH+]1 ZINC000907276555 592569230 /nfs/dbraw/zinc/56/92/30/592569230.db2.gz BDPXRGJOMDOGSP-UHFFFAOYSA-N 2 2 345.491 1.100 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H](C)C3=CC[NH+](C)CC3)co2)C1 ZINC000907284756 592583904 /nfs/dbraw/zinc/58/39/04/592583904.db2.gz YQNMDLDJBLPTJZ-HIFRSBDPSA-N 2 2 348.447 1.276 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H](C)C3=CC[NH+](C)CC3)co2)C1 ZINC000907284756 592583907 /nfs/dbraw/zinc/58/39/07/592583907.db2.gz YQNMDLDJBLPTJZ-HIFRSBDPSA-N 2 2 348.447 1.276 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)co2)C1 ZINC000907284756 592583909 /nfs/dbraw/zinc/58/39/09/592583909.db2.gz YQNMDLDJBLPTJZ-HIFRSBDPSA-N 2 2 348.447 1.276 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)co2)C1 ZINC000907284756 592583911 /nfs/dbraw/zinc/58/39/11/592583911.db2.gz YQNMDLDJBLPTJZ-HIFRSBDPSA-N 2 2 348.447 1.276 20 0 EDADLP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1ccccc1F ZINC000905619922 592587173 /nfs/dbraw/zinc/58/71/73/592587173.db2.gz ONSXJWSKFIRQTI-HNNXBMFYSA-N 2 2 335.423 1.997 20 0 EDADLP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)Nc1ccccc1F ZINC000905619922 592587175 /nfs/dbraw/zinc/58/71/75/592587175.db2.gz ONSXJWSKFIRQTI-HNNXBMFYSA-N 2 2 335.423 1.997 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000907413184 592638246 /nfs/dbraw/zinc/63/82/46/592638246.db2.gz VCEQWNXVBIHCAP-FRFSOERESA-N 2 2 337.489 1.408 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000907413184 592638248 /nfs/dbraw/zinc/63/82/48/592638248.db2.gz VCEQWNXVBIHCAP-FRFSOERESA-N 2 2 337.489 1.408 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)C1 ZINC000905936518 592689352 /nfs/dbraw/zinc/68/93/52/592689352.db2.gz DCUGLHNUBKDFQQ-GUDVDZBRSA-N 2 2 336.476 1.417 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)C1 ZINC000905936518 592689355 /nfs/dbraw/zinc/68/93/55/592689355.db2.gz DCUGLHNUBKDFQQ-GUDVDZBRSA-N 2 2 336.476 1.417 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000907559470 592708783 /nfs/dbraw/zinc/70/87/83/592708783.db2.gz LTGWIUAGCUPKBR-UXLLHSPISA-N 2 2 334.464 1.878 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000907559470 592708786 /nfs/dbraw/zinc/70/87/86/592708786.db2.gz LTGWIUAGCUPKBR-UXLLHSPISA-N 2 2 334.464 1.878 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)c2coc(C[N@H+]3CC[C@H](O)C3)n2)c1 ZINC000906085209 592738840 /nfs/dbraw/zinc/73/88/40/592738840.db2.gz ISPILHBMGGRHKO-HNNXBMFYSA-N 2 2 344.415 1.555 20 0 EDADLP c1nc(Cn2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nn2)no1 ZINC000906281948 592773659 /nfs/dbraw/zinc/77/36/59/592773659.db2.gz WYFBRKUNORKDEA-CZUORRHYSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)nn2)no1 ZINC000906281948 592773660 /nfs/dbraw/zinc/77/36/60/592773660.db2.gz WYFBRKUNORKDEA-CZUORRHYSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nn2)no1 ZINC000906281948 592773661 /nfs/dbraw/zinc/77/36/61/592773661.db2.gz WYFBRKUNORKDEA-CZUORRHYSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nn2)no1 ZINC000906281948 592773662 /nfs/dbraw/zinc/77/36/62/592773662.db2.gz WYFBRKUNORKDEA-CZUORRHYSA-N 2 2 343.435 1.158 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC000906263271 592777229 /nfs/dbraw/zinc/77/72/29/592777229.db2.gz MEADWLVZEVCKLZ-OAHLLOKOSA-N 2 2 340.435 1.597 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC000906263271 592777232 /nfs/dbraw/zinc/77/72/32/592777232.db2.gz MEADWLVZEVCKLZ-OAHLLOKOSA-N 2 2 340.435 1.597 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)ccc2n1[C@H](C)CO ZINC000909289327 592791257 /nfs/dbraw/zinc/79/12/57/592791257.db2.gz PALHYRBOYHCSFJ-OMPKRAJASA-N 2 2 346.431 1.292 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)ccc2n1[C@H](C)CO ZINC000909289327 592791260 /nfs/dbraw/zinc/79/12/60/592791260.db2.gz PALHYRBOYHCSFJ-OMPKRAJASA-N 2 2 346.431 1.292 20 0 EDADLP CC[N@@H+]1CCC[C@H](CNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906447934 592823999 /nfs/dbraw/zinc/82/39/99/592823999.db2.gz INVLOXMHFSXKBU-QGZVFWFLSA-N 2 2 348.491 1.282 20 0 EDADLP CC[N@H+]1CCC[C@H](CNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906447934 592824000 /nfs/dbraw/zinc/82/40/00/592824000.db2.gz INVLOXMHFSXKBU-QGZVFWFLSA-N 2 2 348.491 1.282 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000910688217 592885984 /nfs/dbraw/zinc/88/59/84/592885984.db2.gz ZOSVXSUQWDVCNX-GJZGRUSLSA-N 2 2 347.463 1.167 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000910688217 592885985 /nfs/dbraw/zinc/88/59/85/592885985.db2.gz ZOSVXSUQWDVCNX-GJZGRUSLSA-N 2 2 347.463 1.167 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1c1c[nH+]cn1C ZINC000910840300 592895647 /nfs/dbraw/zinc/89/56/47/592895647.db2.gz IDFKGPSQGDBYLH-OAHLLOKOSA-N 2 2 347.463 1.026 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1c1c[nH+]cn1C ZINC000910840300 592895648 /nfs/dbraw/zinc/89/56/48/592895648.db2.gz IDFKGPSQGDBYLH-OAHLLOKOSA-N 2 2 347.463 1.026 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)[C@H]3CCCO3)CC2)CC1 ZINC000911190577 592946341 /nfs/dbraw/zinc/94/63/41/592946341.db2.gz LWNKCJLXXFNUGR-FUHWJXTLSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)[C@H]3CCCO3)CC2)CC1 ZINC000911190577 592946342 /nfs/dbraw/zinc/94/63/42/592946342.db2.gz LWNKCJLXXFNUGR-FUHWJXTLSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000912588068 593106644 /nfs/dbraw/zinc/10/66/44/593106644.db2.gz AIRABDVEUQOZCC-HNNXBMFYSA-N 2 2 334.464 1.045 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)S1 ZINC000806934251 593129281 /nfs/dbraw/zinc/12/92/81/593129281.db2.gz UAHWFSLZYXOKAN-CABCVRRESA-N 2 2 338.521 1.886 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)S1 ZINC000806934251 593129282 /nfs/dbraw/zinc/12/92/82/593129282.db2.gz UAHWFSLZYXOKAN-CABCVRRESA-N 2 2 338.521 1.886 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000839526419 593314961 /nfs/dbraw/zinc/31/49/61/593314961.db2.gz GADZHLOECYIQEU-QGZVFWFLSA-N 2 2 331.460 1.788 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000839526419 593314964 /nfs/dbraw/zinc/31/49/64/593314964.db2.gz GADZHLOECYIQEU-QGZVFWFLSA-N 2 2 331.460 1.788 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](F)C(F)(F)F ZINC000810300593 593392347 /nfs/dbraw/zinc/39/23/47/593392347.db2.gz ZJIHCDITYQNCQP-RYUDHWBXSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](F)C(F)(F)F ZINC000810300593 593392349 /nfs/dbraw/zinc/39/23/49/593392349.db2.gz ZJIHCDITYQNCQP-RYUDHWBXSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810300593 593392352 /nfs/dbraw/zinc/39/23/52/593392352.db2.gz ZJIHCDITYQNCQP-RYUDHWBXSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810300593 593392354 /nfs/dbraw/zinc/39/23/54/593392354.db2.gz ZJIHCDITYQNCQP-RYUDHWBXSA-N 2 2 327.366 1.761 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3CCN(Cc4cccnc4)C3=O)CC[C@H]21 ZINC000840030248 593394627 /nfs/dbraw/zinc/39/46/27/593394627.db2.gz YBZUKSVNXNVUPI-QZTJIDSGSA-N 2 2 343.475 1.693 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3CCN(Cc4cccnc4)C3=O)CC[C@H]21 ZINC000840030248 593394630 /nfs/dbraw/zinc/39/46/30/593394630.db2.gz YBZUKSVNXNVUPI-QZTJIDSGSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3CCN(Cc4cccnc4)C3=O)CC[C@H]21 ZINC000840030248 593394633 /nfs/dbraw/zinc/39/46/33/593394633.db2.gz YBZUKSVNXNVUPI-QZTJIDSGSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3CCN(Cc4cccnc4)C3=O)CC[C@H]21 ZINC000840030248 593394636 /nfs/dbraw/zinc/39/46/36/593394636.db2.gz YBZUKSVNXNVUPI-QZTJIDSGSA-N 2 2 343.475 1.693 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804438026 593414702 /nfs/dbraw/zinc/41/47/02/593414702.db2.gz KSMAUAPNALXBJI-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804438026 593414705 /nfs/dbraw/zinc/41/47/05/593414705.db2.gz KSMAUAPNALXBJI-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000806505073 593453641 /nfs/dbraw/zinc/45/36/41/593453641.db2.gz IORFYMPYHTYANK-XHSDSOJGSA-N 2 2 347.463 1.036 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@H]21 ZINC000811758797 593479861 /nfs/dbraw/zinc/47/98/61/593479861.db2.gz LEFXMSLZNZSNKB-TVFCKZIOSA-N 2 2 347.503 1.920 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@H]21 ZINC000811758797 593479862 /nfs/dbraw/zinc/47/98/62/593479862.db2.gz LEFXMSLZNZSNKB-TVFCKZIOSA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@H]21 ZINC000811758797 593479863 /nfs/dbraw/zinc/47/98/63/593479863.db2.gz LEFXMSLZNZSNKB-TVFCKZIOSA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@H]21 ZINC000811758797 593479864 /nfs/dbraw/zinc/47/98/64/593479864.db2.gz LEFXMSLZNZSNKB-TVFCKZIOSA-N 2 2 347.503 1.920 20 0 EDADLP CC[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC)[NH+](C)C ZINC000840250612 593499712 /nfs/dbraw/zinc/49/97/12/593499712.db2.gz QQAJVRCEXTXGTA-GDBMZVCRSA-N 2 2 330.432 1.975 20 0 EDADLP COc1ccc(C[NH+]2CCC(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000816909727 593557339 /nfs/dbraw/zinc/55/73/39/593557339.db2.gz DTLSXVRYTIJYOM-UHFFFAOYSA-N 2 2 342.443 1.989 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817900906 593647170 /nfs/dbraw/zinc/64/71/70/593647170.db2.gz QTDYHZZXNAIVBS-ZLDLUXBVSA-N 2 2 348.365 1.975 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931351 593649843 /nfs/dbraw/zinc/64/98/43/593649843.db2.gz QWLGFGOVANBRSZ-GLQYFDAESA-N 2 2 343.265 1.839 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929694 593649847 /nfs/dbraw/zinc/64/98/47/593649847.db2.gz QWLGFGOVANBRSZ-NILFDRSVSA-N 2 2 343.265 1.839 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821252749 593997264 /nfs/dbraw/zinc/99/72/64/593997264.db2.gz BOSXVJAYOLEASM-IXDOHACOSA-N 2 2 342.447 1.459 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821252749 593997265 /nfs/dbraw/zinc/99/72/65/593997265.db2.gz BOSXVJAYOLEASM-IXDOHACOSA-N 2 2 342.447 1.459 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821252749 593997267 /nfs/dbraw/zinc/99/72/67/593997267.db2.gz BOSXVJAYOLEASM-IXDOHACOSA-N 2 2 342.447 1.459 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821252749 593997268 /nfs/dbraw/zinc/99/72/68/593997268.db2.gz BOSXVJAYOLEASM-IXDOHACOSA-N 2 2 342.447 1.459 20 0 EDADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC1)C2 ZINC000821323775 594017170 /nfs/dbraw/zinc/01/71/70/594017170.db2.gz HATJCVGEAPFYKU-XNHLSEOASA-N 3 2 334.508 1.098 20 0 EDADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC1)C2 ZINC000821323775 594017175 /nfs/dbraw/zinc/01/71/75/594017175.db2.gz HATJCVGEAPFYKU-XNHLSEOASA-N 3 2 334.508 1.098 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000821323775 594017177 /nfs/dbraw/zinc/01/71/77/594017177.db2.gz HATJCVGEAPFYKU-XNHLSEOASA-N 3 2 334.508 1.098 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000821323775 594017179 /nfs/dbraw/zinc/01/71/79/594017179.db2.gz HATJCVGEAPFYKU-XNHLSEOASA-N 3 2 334.508 1.098 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000821381468 594033006 /nfs/dbraw/zinc/03/30/06/594033006.db2.gz ZLUNLXDJZIOGRS-HUUCEWRRSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000821381468 594033008 /nfs/dbraw/zinc/03/30/08/594033008.db2.gz ZLUNLXDJZIOGRS-HUUCEWRRSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000821381468 594033009 /nfs/dbraw/zinc/03/30/09/594033009.db2.gz ZLUNLXDJZIOGRS-HUUCEWRRSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000821381468 594033011 /nfs/dbraw/zinc/03/30/11/594033011.db2.gz ZLUNLXDJZIOGRS-HUUCEWRRSA-N 2 2 329.485 1.677 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C ZINC000822443198 594049674 /nfs/dbraw/zinc/04/96/74/594049674.db2.gz RALHADZCYYGJSY-CYBMUJFWSA-N 2 2 337.468 1.833 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1C ZINC000822443198 594049676 /nfs/dbraw/zinc/04/96/76/594049676.db2.gz RALHADZCYYGJSY-CYBMUJFWSA-N 2 2 337.468 1.833 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)n1C ZINC000822485721 594055685 /nfs/dbraw/zinc/05/56/85/594055685.db2.gz RFKQTTFSKWASCH-ZBFHGGJFSA-N 2 2 334.464 1.994 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)n1C ZINC000822485721 594055686 /nfs/dbraw/zinc/05/56/86/594055686.db2.gz RFKQTTFSKWASCH-ZBFHGGJFSA-N 2 2 334.464 1.994 20 0 EDADLP C[N@H+](CC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1)CC(C)(C)C ZINC000824796703 594076326 /nfs/dbraw/zinc/07/63/26/594076326.db2.gz FYEMYMMGEKGUSC-JKSUJKDBSA-N 2 2 346.475 1.341 20 0 EDADLP C[N@@H+](CC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1)CC(C)(C)C ZINC000824796703 594076328 /nfs/dbraw/zinc/07/63/28/594076328.db2.gz FYEMYMMGEKGUSC-JKSUJKDBSA-N 2 2 346.475 1.341 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000822758225 594096528 /nfs/dbraw/zinc/09/65/28/594096528.db2.gz LTLSIQRPUXOBOF-ZDUSSCGKSA-N 2 2 330.411 1.924 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000822758225 594096529 /nfs/dbraw/zinc/09/65/29/594096529.db2.gz LTLSIQRPUXOBOF-ZDUSSCGKSA-N 2 2 330.411 1.924 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@@H]1C ZINC000825714574 594230975 /nfs/dbraw/zinc/23/09/75/594230975.db2.gz IFLPDOQANJNBQP-GASCZTMLSA-N 2 2 349.479 1.398 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@@H]1C ZINC000825714574 594230978 /nfs/dbraw/zinc/23/09/78/594230978.db2.gz IFLPDOQANJNBQP-GASCZTMLSA-N 2 2 349.479 1.398 20 0 EDADLP COc1cncc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000825903728 594273777 /nfs/dbraw/zinc/27/37/77/594273777.db2.gz PQBPXUPDSDSIMK-UHFFFAOYSA-N 2 2 332.448 1.076 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1)C(F)(F)F ZINC000825948748 594288793 /nfs/dbraw/zinc/28/87/93/594288793.db2.gz JDOVURGMQFWZFR-LLVKDONJSA-N 2 2 330.354 1.720 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1)C(F)(F)F ZINC000825948748 594288794 /nfs/dbraw/zinc/28/87/94/594288794.db2.gz JDOVURGMQFWZFR-LLVKDONJSA-N 2 2 330.354 1.720 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000828067069 594334136 /nfs/dbraw/zinc/33/41/36/594334136.db2.gz AREMDASCCSASPP-TZMCWYRMSA-N 2 2 334.291 1.809 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000828067069 594334139 /nfs/dbraw/zinc/33/41/39/594334139.db2.gz AREMDASCCSASPP-TZMCWYRMSA-N 2 2 334.291 1.809 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000828088340 594338487 /nfs/dbraw/zinc/33/84/87/594338487.db2.gz MTMSCWKIGZAPIF-MRXNPFEDSA-N 2 2 347.463 1.696 20 0 EDADLP COC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826149909 594348963 /nfs/dbraw/zinc/34/89/63/594348963.db2.gz RQCLLUOIGVJXEE-CYBMUJFWSA-N 2 2 330.436 1.456 20 0 EDADLP O=C1N[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@H]2CO1 ZINC000830900018 594508968 /nfs/dbraw/zinc/50/89/68/594508968.db2.gz CANIOHCGSGSNEG-ZWKOTPCHSA-N 2 2 345.443 1.449 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@H]2CO1 ZINC000830900018 594508970 /nfs/dbraw/zinc/50/89/70/594508970.db2.gz CANIOHCGSGSNEG-ZWKOTPCHSA-N 2 2 345.443 1.449 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000826555360 594524224 /nfs/dbraw/zinc/52/42/24/594524224.db2.gz BBYRIYCVCBCFJS-MSOLQXFVSA-N 2 2 331.460 1.264 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000826555360 594524225 /nfs/dbraw/zinc/52/42/25/594524225.db2.gz BBYRIYCVCBCFJS-MSOLQXFVSA-N 2 2 331.460 1.264 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC000826555360 594524226 /nfs/dbraw/zinc/52/42/26/594524226.db2.gz BBYRIYCVCBCFJS-MSOLQXFVSA-N 2 2 331.460 1.264 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC000826555360 594524227 /nfs/dbraw/zinc/52/42/27/594524227.db2.gz BBYRIYCVCBCFJS-MSOLQXFVSA-N 2 2 331.460 1.264 20 0 EDADLP [NH3+]CCCCCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000831110692 594558501 /nfs/dbraw/zinc/55/85/01/594558501.db2.gz VSOURBGXLMCOGK-INIZCTEOSA-N 2 2 344.525 1.013 20 0 EDADLP CO[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1(C)C ZINC000831339452 594610694 /nfs/dbraw/zinc/61/06/94/594610694.db2.gz RUTBXKGQQJHZSF-HOTGVXAUSA-N 2 2 335.448 1.327 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCc2c[nH+]c(C)cc2C)C[C@@H]1C ZINC000827149661 594648217 /nfs/dbraw/zinc/64/82/17/594648217.db2.gz QUKNYCQAWQZMHC-IYBDPMFKSA-N 2 2 334.464 1.949 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCc2c[nH+]c(C)cc2C)C[C@@H]1C ZINC000827149661 594648219 /nfs/dbraw/zinc/64/82/19/594648219.db2.gz QUKNYCQAWQZMHC-IYBDPMFKSA-N 2 2 334.464 1.949 20 0 EDADLP CCc1nc(C[NH+]2CCC(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cs1 ZINC000827237334 594655462 /nfs/dbraw/zinc/65/54/62/594655462.db2.gz PMOSDFQEDNYZBZ-UHFFFAOYSA-N 2 2 347.488 2.000 20 0 EDADLP O=C(N1C[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C[C@H]2C1)C(F)(F)F ZINC000831571761 594684323 /nfs/dbraw/zinc/68/43/23/594684323.db2.gz NQWYWVQDDUYJRJ-STQMWFEESA-N 2 2 330.354 1.616 20 0 EDADLP O=C(N1C[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C[C@H]2C1)C(F)(F)F ZINC000831571761 594684324 /nfs/dbraw/zinc/68/43/24/594684324.db2.gz NQWYWVQDDUYJRJ-STQMWFEESA-N 2 2 330.354 1.616 20 0 EDADLP S=C(NCCC[NH+]1CCOCC1)NCc1ccc2c[nH+]cn2c1 ZINC000840843804 594820322 /nfs/dbraw/zinc/82/03/22/594820322.db2.gz KZTUYKIJQMMEEP-UHFFFAOYSA-N 2 2 333.461 1.021 20 0 EDADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000841100070 594850758 /nfs/dbraw/zinc/85/07/58/594850758.db2.gz SQXVGUBYZANABW-RBUKOAKNSA-N 2 2 341.459 1.986 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)c(N(C)C)[nH+]1 ZINC000841268921 594878473 /nfs/dbraw/zinc/87/84/73/594878473.db2.gz NBZMMDIOCDERHT-CQSZACIVSA-N 2 2 333.436 1.028 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC[N@H+](C)C1 ZINC000841674404 594933970 /nfs/dbraw/zinc/93/39/70/594933970.db2.gz ILENNCGDSHBDLQ-ZDUSSCGKSA-N 2 2 349.435 1.025 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC[N@@H+](C)C1 ZINC000841674404 594933972 /nfs/dbraw/zinc/93/39/72/594933972.db2.gz ILENNCGDSHBDLQ-ZDUSSCGKSA-N 2 2 349.435 1.025 20 0 EDADLP C[C@@]1(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CCC[NH2+]C1 ZINC000841690370 594937971 /nfs/dbraw/zinc/93/79/71/594937971.db2.gz JYWQRELRVUPNSR-QGZVFWFLSA-N 2 2 328.420 1.456 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000841692613 594938537 /nfs/dbraw/zinc/93/85/37/594938537.db2.gz WPUXZAWHBPAPCQ-ZFWWWQNUSA-N 2 2 328.420 1.394 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CCn2cc[nH+]c21 ZINC000836247622 594942905 /nfs/dbraw/zinc/94/29/05/594942905.db2.gz ANUYVTAPKMUIMV-CYBMUJFWSA-N 2 2 331.445 1.747 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CCn2cc[nH+]c21 ZINC000836247622 594942906 /nfs/dbraw/zinc/94/29/06/594942906.db2.gz ANUYVTAPKMUIMV-CYBMUJFWSA-N 2 2 331.445 1.747 20 0 EDADLP COc1cccc2[nH]cc(CCNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c21 ZINC000841873750 594970808 /nfs/dbraw/zinc/97/08/08/594970808.db2.gz HJHOISMMCPOEBT-AWEZNQCLSA-N 2 2 345.447 1.003 20 0 EDADLP COc1cccc2[nH]cc(CCNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c21 ZINC000841873750 594970810 /nfs/dbraw/zinc/97/08/10/594970810.db2.gz HJHOISMMCPOEBT-AWEZNQCLSA-N 2 2 345.447 1.003 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[NH+](CCc2cccs2)CC1 ZINC000836519646 594971771 /nfs/dbraw/zinc/97/17/71/594971771.db2.gz ZJUIGBCXFGAIPT-OAHLLOKOSA-N 2 2 345.472 1.959 20 0 EDADLP [NH3+][C@H](Cc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1)C1CC1 ZINC000843206530 595034626 /nfs/dbraw/zinc/03/46/26/595034626.db2.gz YQVJIOFKFPWYNO-HZPDHXFCSA-N 2 2 328.416 1.923 20 0 EDADLP [NH3+][C@H](Cc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)C1CC1 ZINC000843206530 595034629 /nfs/dbraw/zinc/03/46/29/595034629.db2.gz YQVJIOFKFPWYNO-HZPDHXFCSA-N 2 2 328.416 1.923 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000106028468 595055325 /nfs/dbraw/zinc/05/53/25/595055325.db2.gz WAAHWZGLUMPABO-UHFFFAOYSA-N 2 2 330.436 1.050 20 0 EDADLP C[N@@H+]1CCN(C(=O)C(=O)NCCCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000843263996 595057522 /nfs/dbraw/zinc/05/75/22/595057522.db2.gz XMAQROUOEARVEL-KRWDZBQOSA-N 2 2 346.475 1.137 20 0 EDADLP C[N@H+]1CCN(C(=O)C(=O)NCCCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000843263996 595057524 /nfs/dbraw/zinc/05/75/24/595057524.db2.gz XMAQROUOEARVEL-KRWDZBQOSA-N 2 2 346.475 1.137 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000842687649 595170988 /nfs/dbraw/zinc/17/09/88/595170988.db2.gz UIBBTXBIDKDFHI-CHWSQXEVSA-N 2 2 329.441 1.436 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)CC[C@H]21 ZINC000867425406 595247027 /nfs/dbraw/zinc/24/70/27/595247027.db2.gz GLHINUZBWHSZNL-RBSFLKMASA-N 2 2 345.447 1.016 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)CC[C@H]21 ZINC000867425406 595247029 /nfs/dbraw/zinc/24/70/29/595247029.db2.gz GLHINUZBWHSZNL-RBSFLKMASA-N 2 2 345.447 1.016 20 0 EDADLP O=S(=O)(C1C[NH+](Cc2ccc3ccccc3c2)C1)N1CC[NH2+]CC1 ZINC000843054861 595275959 /nfs/dbraw/zinc/27/59/59/595275959.db2.gz LERHVAHBJOGJNM-UHFFFAOYSA-N 2 2 345.468 1.259 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000843061700 595276802 /nfs/dbraw/zinc/27/68/02/595276802.db2.gz HFIZYNIGXSKOBU-YLJYHZDGSA-N 2 2 344.430 1.868 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)C[N@H+]1CCc2ccccc2C1 ZINC000843061700 595276807 /nfs/dbraw/zinc/27/68/07/595276807.db2.gz HFIZYNIGXSKOBU-YLJYHZDGSA-N 2 2 344.430 1.868 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(c2nc(CC3CC[NH2+]CC3)no2)CC1 ZINC000843135640 595294227 /nfs/dbraw/zinc/29/42/27/595294227.db2.gz NPPYRVANFRYPJU-UHFFFAOYSA-N 2 2 344.463 1.725 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000846666204 595295963 /nfs/dbraw/zinc/29/59/63/595295963.db2.gz DWDWHJXFQFADHM-CYBMUJFWSA-N 2 2 338.839 1.684 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccc(Br)cc1F ZINC000846670647 595297111 /nfs/dbraw/zinc/29/71/11/595297111.db2.gz QMQRSMQVURWYHC-CYBMUJFWSA-N 2 2 346.244 1.526 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000846699047 595303805 /nfs/dbraw/zinc/30/38/05/595303805.db2.gz KLNPYBANFLFQFO-XHSDSOJGSA-N 2 2 346.381 1.525 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844225516 595309195 /nfs/dbraw/zinc/30/91/95/595309195.db2.gz CSMDKAFTJCCGOL-QGZVFWFLSA-N 2 2 346.475 1.439 20 0 EDADLP CN(C[C@@](C)(O)C[NH+]1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000844282198 595316119 /nfs/dbraw/zinc/31/61/19/595316119.db2.gz JPOSGHCRFVCKMU-QGZVFWFLSA-N 2 2 329.485 1.630 20 0 EDADLP CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000844375458 595333445 /nfs/dbraw/zinc/33/34/45/595333445.db2.gz QGKYHDTVKFQFOD-WBVHZDCISA-N 2 2 337.464 1.311 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C[C@@H](C(=O)OC(C)(C)C)CC1=O ZINC000844696190 595375747 /nfs/dbraw/zinc/37/57/47/595375747.db2.gz CJSDUIYVODWALG-AWEZNQCLSA-N 2 2 336.436 1.353 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C[C@@H](C(=O)OC(C)(C)C)CC1=O ZINC000844696190 595375749 /nfs/dbraw/zinc/37/57/49/595375749.db2.gz CJSDUIYVODWALG-AWEZNQCLSA-N 2 2 336.436 1.353 20 0 EDADLP CN(Cc1cnc(Cl)n1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000848911480 595466838 /nfs/dbraw/zinc/46/68/38/595466838.db2.gz VZBBWDYWHJMRSP-CQSZACIVSA-N 2 2 325.888 1.674 20 0 EDADLP CN(Cc1cnc(Cl)n1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000848911480 595466839 /nfs/dbraw/zinc/46/68/39/595466839.db2.gz VZBBWDYWHJMRSP-CQSZACIVSA-N 2 2 325.888 1.674 20 0 EDADLP Cn1c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cnc1Cl ZINC000848911480 595466841 /nfs/dbraw/zinc/46/68/41/595466841.db2.gz VZBBWDYWHJMRSP-CQSZACIVSA-N 2 2 325.888 1.674 20 0 EDADLP Cn1c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cnc1Cl ZINC000848911480 595466843 /nfs/dbraw/zinc/46/68/43/595466843.db2.gz VZBBWDYWHJMRSP-CQSZACIVSA-N 2 2 325.888 1.674 20 0 EDADLP CC[C@@H](C)NC(=[NH2+])NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000849012920 595474399 /nfs/dbraw/zinc/47/43/99/595474399.db2.gz SMLABQSZAKJPCI-CQSZACIVSA-N 2 2 332.452 1.033 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860133551 595591925 /nfs/dbraw/zinc/59/19/25/595591925.db2.gz HGMNSSHVVDHJJI-MJGOQNOKSA-N 2 2 336.476 1.753 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860133551 595591929 /nfs/dbraw/zinc/59/19/29/595591929.db2.gz HGMNSSHVVDHJJI-MJGOQNOKSA-N 2 2 336.476 1.753 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)C(C)(C)CO ZINC000855112821 595599707 /nfs/dbraw/zinc/59/97/07/595599707.db2.gz NXCKQWPWDNSIBK-OAHLLOKOSA-N 2 2 334.464 1.470 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853126651 595673579 /nfs/dbraw/zinc/67/35/79/595673579.db2.gz PHOGOFZNDATCDG-ICSRJNTNSA-N 2 2 340.471 1.521 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(Cl)nc2ccccn21 ZINC000855417332 595706694 /nfs/dbraw/zinc/70/66/94/595706694.db2.gz YGIVUTWMCTUXIB-UHFFFAOYSA-N 2 2 337.855 1.601 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(Cl)nc2ccccn21 ZINC000855417332 595706698 /nfs/dbraw/zinc/70/66/98/595706698.db2.gz YGIVUTWMCTUXIB-UHFFFAOYSA-N 2 2 337.855 1.601 20 0 EDADLP NS(=O)(=O)c1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111244338 595740698 /nfs/dbraw/zinc/74/06/98/595740698.db2.gz DWOGEQGCJNPGJI-UHFFFAOYSA-N 2 2 334.445 1.410 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858391395 595782913 /nfs/dbraw/zinc/78/29/13/595782913.db2.gz GAIZYKKJJHXWOS-CQSZACIVSA-N 2 2 332.448 1.143 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(F)n3)CC2)CC1 ZINC000851842231 595944263 /nfs/dbraw/zinc/94/42/63/595944263.db2.gz SHNJRKPKDWZUMP-UHFFFAOYSA-N 2 2 334.439 1.597 20 0 EDADLP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000851859886 595950867 /nfs/dbraw/zinc/95/08/67/595950867.db2.gz BTCAUXHUHPZDPQ-HNNXBMFYSA-N 2 2 329.485 1.629 20 0 EDADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000851859886 595950869 /nfs/dbraw/zinc/95/08/69/595950869.db2.gz BTCAUXHUHPZDPQ-HNNXBMFYSA-N 2 2 329.485 1.629 20 0 EDADLP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000851859886 595950872 /nfs/dbraw/zinc/95/08/72/595950872.db2.gz BTCAUXHUHPZDPQ-HNNXBMFYSA-N 2 2 329.485 1.629 20 0 EDADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000851859886 595950876 /nfs/dbraw/zinc/95/08/76/595950876.db2.gz BTCAUXHUHPZDPQ-HNNXBMFYSA-N 2 2 329.485 1.629 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cnon2)CC1 ZINC000851862533 595952993 /nfs/dbraw/zinc/95/29/93/595952993.db2.gz ATAFNZCBCVKJTL-UHFFFAOYSA-N 2 2 335.452 1.274 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C[NH+]1CCCC1 ZINC000859500477 596113769 /nfs/dbraw/zinc/11/37/69/596113769.db2.gz GDUCDCSRHCLCQX-SQWLQELKSA-N 2 2 344.377 1.967 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@H]1CCn2cc[nH+]c21 ZINC000852363683 596137058 /nfs/dbraw/zinc/13/70/58/596137058.db2.gz SRYZSYZJORHZNH-HOTGVXAUSA-N 2 2 325.416 1.902 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N[C@H]1CCn2cc[nH+]c21 ZINC000852363683 596137060 /nfs/dbraw/zinc/13/70/60/596137060.db2.gz SRYZSYZJORHZNH-HOTGVXAUSA-N 2 2 325.416 1.902 20 0 EDADLP O=C([C@H]1CCC[N@@H+](Cc2csc(Cl)n2)C1)N1CC[NH2+]CC1 ZINC000857083802 596154484 /nfs/dbraw/zinc/15/44/84/596154484.db2.gz HSZKEQMOWQDNOE-NSHDSACASA-N 2 2 328.869 1.440 20 0 EDADLP O=C([C@H]1CCC[N@H+](Cc2csc(Cl)n2)C1)N1CC[NH2+]CC1 ZINC000857083802 596154486 /nfs/dbraw/zinc/15/44/86/596154486.db2.gz HSZKEQMOWQDNOE-NSHDSACASA-N 2 2 328.869 1.440 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000866575241 596255705 /nfs/dbraw/zinc/25/57/05/596255705.db2.gz LTMMDQYNQUOGRV-KDOFPFPSSA-N 2 2 328.460 1.784 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000866575241 596255707 /nfs/dbraw/zinc/25/57/07/596255707.db2.gz LTMMDQYNQUOGRV-KDOFPFPSSA-N 2 2 328.460 1.784 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000864614296 596283220 /nfs/dbraw/zinc/28/32/20/596283220.db2.gz WMCDBVKJIYVTOW-QBUQCISBSA-N 2 2 343.471 1.828 20 0 EDADLP C[C@@H]([NH3+])Cn1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)nn1 ZINC000864633129 596291693 /nfs/dbraw/zinc/29/16/93/596291693.db2.gz ZMAQJLWWMMWGKA-GFCCVEGCSA-N 2 2 338.456 1.114 20 0 EDADLP CC(C)[C@@H](CNC(=O)Cc1cn2cc(F)ccc2[nH+]1)[NH+]1CCOCC1 ZINC000864668945 596302074 /nfs/dbraw/zinc/30/20/74/596302074.db2.gz BXWJOIRTGUXRNI-MRXNPFEDSA-N 2 2 348.422 1.489 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000866711348 596305001 /nfs/dbraw/zinc/30/50/01/596305001.db2.gz IUKCOSFCRUNWAK-MELADBBJSA-N 2 2 334.445 1.387 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000866711348 596305003 /nfs/dbraw/zinc/30/50/03/596305003.db2.gz IUKCOSFCRUNWAK-MELADBBJSA-N 2 2 334.445 1.387 20 0 EDADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000862551821 596344612 /nfs/dbraw/zinc/34/46/12/596344612.db2.gz QBISGSUJAJRFHC-OAGGEKHMSA-N 2 2 341.496 1.821 20 0 EDADLP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000862551821 596344615 /nfs/dbraw/zinc/34/46/15/596344615.db2.gz QBISGSUJAJRFHC-OAGGEKHMSA-N 2 2 341.496 1.821 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000864925549 596418228 /nfs/dbraw/zinc/41/82/28/596418228.db2.gz UFFXCGQSWCTALN-OWOJBTEDSA-N 2 2 344.459 1.051 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)C2)c1 ZINC000870977633 596424839 /nfs/dbraw/zinc/42/48/39/596424839.db2.gz IGLBDJLOHDTKGP-RMJJICAUSA-N 2 2 343.471 1.439 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)C2)c1 ZINC000870977633 596424842 /nfs/dbraw/zinc/42/48/42/596424842.db2.gz IGLBDJLOHDTKGP-RMJJICAUSA-N 2 2 343.471 1.439 20 0 EDADLP CN1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)Cc2ccc[nH+]c21 ZINC000871019617 596440252 /nfs/dbraw/zinc/44/02/52/596440252.db2.gz APCUOCYKOYCBPL-UHFFFAOYSA-N 2 2 339.443 1.900 20 0 EDADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000865084748 596468080 /nfs/dbraw/zinc/46/80/80/596468080.db2.gz GANSKKZHLPPAHY-PLNGDYQASA-N 2 2 331.460 1.595 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=S)NCC[NH+](C)C)c1ccc(F)cc1 ZINC000017453653 596470738 /nfs/dbraw/zinc/47/07/38/596470738.db2.gz STMFNTFUFJCDCH-AWEZNQCLSA-N 2 2 335.452 1.674 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000865199642 596513343 /nfs/dbraw/zinc/51/33/43/596513343.db2.gz SRCOZWPHVRRQGP-CVEARBPZSA-N 2 2 346.406 1.074 20 0 EDADLP C[NH+]1CCC2(CCN(C(=S)NCC[NH+]3CCOCC3)CC2)CC1 ZINC000865251214 596524584 /nfs/dbraw/zinc/52/45/84/596524584.db2.gz NAYJLDKXNQNFJF-UHFFFAOYSA-N 2 2 340.537 1.001 20 0 EDADLP C[NH+]1CCC(NC(=S)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC000865254242 596525252 /nfs/dbraw/zinc/52/52/52/596525252.db2.gz UWIULKTVFPZGFK-UHFFFAOYSA-N 3 2 348.520 1.214 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865442496 596576164 /nfs/dbraw/zinc/57/61/64/596576164.db2.gz NDOZNZZQQUDMTF-HNNXBMFYSA-N 2 2 346.431 1.566 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865442496 596576166 /nfs/dbraw/zinc/57/61/66/596576166.db2.gz NDOZNZZQQUDMTF-HNNXBMFYSA-N 2 2 346.431 1.566 20 0 EDADLP Nc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc(C2CCCC2)[nH+]1 ZINC000865505396 596593543 /nfs/dbraw/zinc/59/35/43/596593543.db2.gz DTLSSOOYUAEFRA-KGLIPLIRSA-N 2 2 332.452 1.147 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[NH+](CC(F)F)C1 ZINC000867905193 596611589 /nfs/dbraw/zinc/61/15/89/596611589.db2.gz VCRHFNRRPUUBKG-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[NH+](CC(F)F)C1 ZINC000867905193 596611590 /nfs/dbraw/zinc/61/15/90/596611590.db2.gz VCRHFNRRPUUBKG-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000867905193 596611592 /nfs/dbraw/zinc/61/15/92/596611592.db2.gz VCRHFNRRPUUBKG-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867905193 596611593 /nfs/dbraw/zinc/61/15/93/596611593.db2.gz VCRHFNRRPUUBKG-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869780333 596632019 /nfs/dbraw/zinc/63/20/19/596632019.db2.gz TWDAKSZIQCXIHA-AWEZNQCLSA-N 2 2 330.432 1.306 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869780333 596632021 /nfs/dbraw/zinc/63/20/21/596632021.db2.gz TWDAKSZIQCXIHA-AWEZNQCLSA-N 2 2 330.432 1.306 20 0 EDADLP CN(C(=O)C1(F)CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728348 596661424 /nfs/dbraw/zinc/66/14/24/596661424.db2.gz UGPVFAFXEBQAJN-OAHLLOKOSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)C1(F)CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728348 596661426 /nfs/dbraw/zinc/66/14/26/596661426.db2.gz UGPVFAFXEBQAJN-OAHLLOKOSA-N 2 2 327.444 1.132 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)on1 ZINC000865764026 596673894 /nfs/dbraw/zinc/67/38/94/596673894.db2.gz RIDAGHGUNWBMIE-UHFFFAOYSA-N 2 2 327.344 1.722 20 0 EDADLP CO[C@H]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)Cc3ccc[nH+]c3N2C1 ZINC000866058401 596774578 /nfs/dbraw/zinc/77/45/78/596774578.db2.gz ZFYZFRQDLGMVGZ-KGLIPLIRSA-N 2 2 336.399 1.967 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868396449 596819519 /nfs/dbraw/zinc/81/95/19/596819519.db2.gz LQLVWDITLMGJFZ-XJKSGUPXSA-N 2 2 329.448 1.526 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868396449 596819522 /nfs/dbraw/zinc/81/95/22/596819522.db2.gz LQLVWDITLMGJFZ-XJKSGUPXSA-N 2 2 329.448 1.526 20 0 EDADLP O=C1CC2(CCOCC2)[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1 ZINC000872285655 596867512 /nfs/dbraw/zinc/86/75/12/596867512.db2.gz BNXFYVPYVWJHID-UHFFFAOYSA-N 2 2 341.415 1.138 20 0 EDADLP O=C1CC2(CCOCC2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1 ZINC000872285655 596867514 /nfs/dbraw/zinc/86/75/14/596867514.db2.gz BNXFYVPYVWJHID-UHFFFAOYSA-N 2 2 341.415 1.138 20 0 EDADLP c1ncn(-c2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccn2)n1 ZINC000866432079 596885874 /nfs/dbraw/zinc/88/58/74/596885874.db2.gz KSDXQBXZDGNXSY-UHFFFAOYSA-N 2 2 335.415 1.816 20 0 EDADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875864451 597015412 /nfs/dbraw/zinc/01/54/12/597015412.db2.gz SEFKRBJCXIQVPO-KRWDZBQOSA-N 2 2 340.512 1.326 20 0 EDADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000875864451 597015415 /nfs/dbraw/zinc/01/54/15/597015415.db2.gz SEFKRBJCXIQVPO-KRWDZBQOSA-N 2 2 340.512 1.326 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)nc(N)c2cc1OC ZINC000872778744 597064045 /nfs/dbraw/zinc/06/40/45/597064045.db2.gz BLYXKOIRFFIIKD-KGLIPLIRSA-N 2 2 343.431 1.902 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)nc(N)c2cc1OC ZINC000872778744 597064047 /nfs/dbraw/zinc/06/40/47/597064047.db2.gz BLYXKOIRFFIIKD-KGLIPLIRSA-N 2 2 343.431 1.902 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000872779991 597064991 /nfs/dbraw/zinc/06/49/91/597064991.db2.gz UNQCPBXXLNICQC-GJZGRUSLSA-N 2 2 331.464 1.501 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000872779991 597064995 /nfs/dbraw/zinc/06/49/95/597064995.db2.gz UNQCPBXXLNICQC-GJZGRUSLSA-N 2 2 331.464 1.501 20 0 EDADLP CS[C@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000876061219 597075317 /nfs/dbraw/zinc/07/53/17/597075317.db2.gz KOLJHFXYDSOPTI-BPUTZDHNSA-N 2 2 340.537 1.690 20 0 EDADLP CS[C@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000876061219 597075320 /nfs/dbraw/zinc/07/53/20/597075320.db2.gz KOLJHFXYDSOPTI-BPUTZDHNSA-N 2 2 340.537 1.690 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC[NH+]3CCC3)C2)c1 ZINC000876192746 597126420 /nfs/dbraw/zinc/12/64/20/597126420.db2.gz FGUVROLCFKZKCG-GOSISDBHSA-N 2 2 346.475 1.201 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCC[NH+]3CCC3)C2)c1 ZINC000876192746 597126422 /nfs/dbraw/zinc/12/64/22/597126422.db2.gz FGUVROLCFKZKCG-GOSISDBHSA-N 2 2 346.475 1.201 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2c3ccccc3C[NH+]2C)[C@@H](C)CO1 ZINC000876205996 597135589 /nfs/dbraw/zinc/13/55/89/597135589.db2.gz ZDBKTRZMFYJXSZ-DAYGRLMNSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2c3ccccc3C[NH+]2C)[C@@H](C)CO1 ZINC000876205996 597135592 /nfs/dbraw/zinc/13/55/92/597135592.db2.gz ZDBKTRZMFYJXSZ-DAYGRLMNSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)[C@@H](C)CO1 ZINC000876205996 597135596 /nfs/dbraw/zinc/13/55/96/597135596.db2.gz ZDBKTRZMFYJXSZ-DAYGRLMNSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)[C@@H](C)CO1 ZINC000876205996 597135598 /nfs/dbraw/zinc/13/55/98/597135598.db2.gz ZDBKTRZMFYJXSZ-DAYGRLMNSA-N 2 2 346.475 1.582 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000876205892 597136168 /nfs/dbraw/zinc/13/61/68/597136168.db2.gz XWFKOJIDNQPKGL-FUHWJXTLSA-N 2 2 346.475 1.319 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000876205892 597136171 /nfs/dbraw/zinc/13/61/71/597136171.db2.gz XWFKOJIDNQPKGL-FUHWJXTLSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000876205892 597136172 /nfs/dbraw/zinc/13/61/72/597136172.db2.gz XWFKOJIDNQPKGL-FUHWJXTLSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000876205892 597136175 /nfs/dbraw/zinc/13/61/75/597136175.db2.gz XWFKOJIDNQPKGL-FUHWJXTLSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)cn2)CC1 ZINC000873222785 597231896 /nfs/dbraw/zinc/23/18/96/597231896.db2.gz CGMJCYGVDHOGLE-IBGZPJMESA-N 3 2 346.523 1.425 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)cn2)CC1 ZINC000873222785 597231899 /nfs/dbraw/zinc/23/18/99/597231899.db2.gz CGMJCYGVDHOGLE-IBGZPJMESA-N 3 2 346.523 1.425 20 0 EDADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000873276530 597245654 /nfs/dbraw/zinc/24/56/54/597245654.db2.gz QBFQDSXIGNEUQV-GHMZBOCLSA-N 2 2 348.232 1.774 20 0 EDADLP c1csc([C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2nnc[nH]2)c1 ZINC000873293992 597249186 /nfs/dbraw/zinc/24/91/86/597249186.db2.gz SAHGOTBAXVRVRH-GXTWGEPZSA-N 2 2 333.461 1.704 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873305805 597251685 /nfs/dbraw/zinc/25/16/85/597251685.db2.gz YTDBKFXRRIRFTO-MJGOQNOKSA-N 2 2 344.459 1.925 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000875071412 597269451 /nfs/dbraw/zinc/26/94/51/597269451.db2.gz IVSCVELMXNPVMH-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000875071412 597269455 /nfs/dbraw/zinc/26/94/55/597269455.db2.gz IVSCVELMXNPVMH-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000875071412 597269458 /nfs/dbraw/zinc/26/94/58/597269458.db2.gz IVSCVELMXNPVMH-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000875071412 597269461 /nfs/dbraw/zinc/26/94/61/597269461.db2.gz IVSCVELMXNPVMH-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000876711827 597299005 /nfs/dbraw/zinc/29/90/05/597299005.db2.gz GIOBXFBKZIEMHK-ZPUOCTKUSA-N 2 2 343.471 1.691 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876893562 597373718 /nfs/dbraw/zinc/37/37/18/597373718.db2.gz ZJXUZZASPQZYFN-GFCCVEGCSA-N 2 2 333.461 1.459 20 0 EDADLP O=c1c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cccn1C(F)F ZINC000877032149 597417484 /nfs/dbraw/zinc/41/74/84/597417484.db2.gz ZQHUZDPRNWRBDM-OAHLLOKOSA-N 2 2 341.402 1.976 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C2)cc1 ZINC000877248110 597478506 /nfs/dbraw/zinc/47/85/06/597478506.db2.gz FZJASFAANDXQMA-IAGOWNOFSA-N 2 2 333.476 1.685 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C2)cc1 ZINC000877248110 597478507 /nfs/dbraw/zinc/47/85/07/597478507.db2.gz FZJASFAANDXQMA-IAGOWNOFSA-N 2 2 333.476 1.685 20 0 EDADLP Cc1cn2ccc(C(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2[nH+]1 ZINC000877353462 597499147 /nfs/dbraw/zinc/49/91/47/597499147.db2.gz RAZFKGQMUNCOAN-NWDGAFQWSA-N 2 2 326.322 1.852 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000877432132 597514496 /nfs/dbraw/zinc/51/44/96/597514496.db2.gz AULTWOQGBBAABP-WFASDCNBSA-N 2 2 327.375 1.192 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000877432132 597514498 /nfs/dbraw/zinc/51/44/98/597514498.db2.gz AULTWOQGBBAABP-WFASDCNBSA-N 2 2 327.375 1.192 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000877481151 597523239 /nfs/dbraw/zinc/52/32/39/597523239.db2.gz WRHGUXRCAKLBLB-LLVKDONJSA-N 2 2 340.474 1.509 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000877481151 597523241 /nfs/dbraw/zinc/52/32/41/597523241.db2.gz WRHGUXRCAKLBLB-LLVKDONJSA-N 2 2 340.474 1.509 20 0 EDADLP Cn1c2ccccc2nc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877747636 597552813 /nfs/dbraw/zinc/55/28/13/597552813.db2.gz VPJATKVCNUBCAH-UHFFFAOYSA-N 2 2 327.476 1.785 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878668208 597673090 /nfs/dbraw/zinc/67/30/90/597673090.db2.gz OMFJGURGUZQUCQ-QGZVFWFLSA-N 2 2 340.508 1.787 20 0 EDADLP O=C(CC[NH2+][C@H]1CCCSC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000131318059 597694261 /nfs/dbraw/zinc/69/42/61/597694261.db2.gz FLTXKQSVBXAOHD-HNNXBMFYSA-N 2 2 334.489 1.606 20 0 EDADLP CC(C)C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CC[NH+](C)CC1 ZINC000879702956 597695369 /nfs/dbraw/zinc/69/53/69/597695369.db2.gz ALFBMYYCZYRWKG-UHFFFAOYSA-N 2 2 331.464 1.822 20 0 EDADLP CC(C)C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC1CC[NH+](C)CC1 ZINC000879702956 597695372 /nfs/dbraw/zinc/69/53/72/597695372.db2.gz ALFBMYYCZYRWKG-UHFFFAOYSA-N 2 2 331.464 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CCC(=O)OC)C2)CC1 ZINC000880038053 597819216 /nfs/dbraw/zinc/81/92/16/597819216.db2.gz PWUCICPGIOSUBJ-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCC(=O)OC)C2)CC1 ZINC000880038053 597819217 /nfs/dbraw/zinc/81/92/17/597819217.db2.gz PWUCICPGIOSUBJ-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCC1(CC)CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000880095944 597840081 /nfs/dbraw/zinc/84/00/81/597840081.db2.gz VCKRYOWHCFCENW-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP CCC1(CC)CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000880095944 597840083 /nfs/dbraw/zinc/84/00/83/597840083.db2.gz VCKRYOWHCFCENW-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261719 597886510 /nfs/dbraw/zinc/88/65/10/597886510.db2.gz LSUOMBCGVWTUDF-ZIAGYGMSSA-N 2 2 347.463 1.605 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261719 597886511 /nfs/dbraw/zinc/88/65/11/597886511.db2.gz LSUOMBCGVWTUDF-ZIAGYGMSSA-N 2 2 347.463 1.605 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](CF)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000880292114 597893156 /nfs/dbraw/zinc/89/31/56/597893156.db2.gz VMUVBTMDMHMNER-AWEZNQCLSA-N 2 2 325.453 1.684 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](CF)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000880292114 597893158 /nfs/dbraw/zinc/89/31/58/597893158.db2.gz VMUVBTMDMHMNER-AWEZNQCLSA-N 2 2 325.453 1.684 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571889 597967581 /nfs/dbraw/zinc/96/75/81/597967581.db2.gz VAQVQBRGOKEJGE-UKRRQHHQSA-N 2 2 329.404 1.448 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000882484038 597972418 /nfs/dbraw/zinc/97/24/18/597972418.db2.gz QQLDSVIALCOPMX-SFHVURJKSA-N 2 2 330.476 1.258 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000882484038 597972420 /nfs/dbraw/zinc/97/24/20/597972420.db2.gz QQLDSVIALCOPMX-SFHVURJKSA-N 2 2 330.476 1.258 20 0 EDADLP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)NCC[NH+]1CCSCC1 ZINC000884191675 598021012 /nfs/dbraw/zinc/02/10/12/598021012.db2.gz JZZOUAKRQMEKGS-HNNXBMFYSA-N 2 2 333.457 1.468 20 0 EDADLP Cc1cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000882816154 598069686 /nfs/dbraw/zinc/06/96/86/598069686.db2.gz AGWZFLWFPLGLIC-UHFFFAOYSA-N 2 2 343.475 1.973 20 0 EDADLP CC1([NH+]2CCC2)CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000882964863 598119577 /nfs/dbraw/zinc/11/95/77/598119577.db2.gz QBUORZIKKPOXBJ-MRXNPFEDSA-N 2 2 345.491 1.750 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)[C@H]1C ZINC000994297568 696725815 /nfs/dbraw/zinc/72/58/15/696725815.db2.gz HQBYSZCDJRATMR-GOEBONIOSA-N 2 2 327.432 1.825 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)[C@H]1C ZINC000994297568 696725818 /nfs/dbraw/zinc/72/58/18/696725818.db2.gz HQBYSZCDJRATMR-GOEBONIOSA-N 2 2 327.432 1.825 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000939856804 699995830 /nfs/dbraw/zinc/99/58/30/699995830.db2.gz QIZYSRWMWBXJLL-CXAGYDPISA-N 2 2 348.397 1.841 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000939858300 699997429 /nfs/dbraw/zinc/99/74/29/699997429.db2.gz XUKPTNTUPVBRLG-SUMWQHHRSA-N 2 2 348.397 1.841 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nncs3)[C@H]2C1 ZINC000992829203 695389117 /nfs/dbraw/zinc/38/91/17/695389117.db2.gz DMZSGBAPPAABLC-UBHSHLNASA-N 2 2 346.460 1.221 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992859178 695418153 /nfs/dbraw/zinc/41/81/53/695418153.db2.gz MKAKVGNTAXUZAB-NUEKZKHPSA-N 2 2 343.431 1.666 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000939855650 699993818 /nfs/dbraw/zinc/99/38/18/699993818.db2.gz FIFCOVLCNRPUSP-PWSUYJOCSA-N 2 2 339.852 1.630 20 0 EDADLP O=C(NC1C[NH+](CC2CCOCC2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001031160928 695625472 /nfs/dbraw/zinc/62/54/72/695625472.db2.gz CPWVLYKWUMZIPI-UHFFFAOYSA-N 2 2 341.415 1.108 20 0 EDADLP O=C(NC1C[NH+](CC[C@@H]2CCOC2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001031161229 695627781 /nfs/dbraw/zinc/62/77/81/695627781.db2.gz KGWPHGMHCRYFPD-CQSZACIVSA-N 2 2 341.415 1.108 20 0 EDADLP O=C(NC1C[NH+](CCOC2CCC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031236438 695933796 /nfs/dbraw/zinc/93/37/96/695933796.db2.gz XJAVFZPVQTWOIU-UHFFFAOYSA-N 2 2 335.492 1.478 20 0 EDADLP Cc1cc(C)cc(OCC[NH+]2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031260074 696067241 /nfs/dbraw/zinc/06/72/41/696067241.db2.gz KYDBESUYVKGMQN-QGZVFWFLSA-N 2 2 345.487 1.824 20 0 EDADLP Cc1cc(C)cc(OCC[NH+]2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001031260074 696067245 /nfs/dbraw/zinc/06/72/45/696067245.db2.gz KYDBESUYVKGMQN-QGZVFWFLSA-N 2 2 345.487 1.824 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263838 696075697 /nfs/dbraw/zinc/07/56/97/696075697.db2.gz BWTUDAICCZBAJH-WBVHZDCISA-N 2 2 335.492 1.478 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000916341568 696652941 /nfs/dbraw/zinc/65/29/41/696652941.db2.gz KVHSDEUWULNVKM-INIZCTEOSA-N 2 2 347.463 1.272 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000916341568 696652944 /nfs/dbraw/zinc/65/29/44/696652944.db2.gz KVHSDEUWULNVKM-INIZCTEOSA-N 2 2 347.463 1.272 20 0 EDADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000925431994 696808381 /nfs/dbraw/zinc/80/83/81/696808381.db2.gz KKVLUMFUIDMCSK-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994407411 696830784 /nfs/dbraw/zinc/83/07/84/696830784.db2.gz LQDNILOLTPTITO-PBHICJAKSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994407411 696830786 /nfs/dbraw/zinc/83/07/86/696830786.db2.gz LQDNILOLTPTITO-PBHICJAKSA-N 2 2 334.464 1.856 20 0 EDADLP CCc1ccc([C@@H](O)C[NH+]2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031385985 697001844 /nfs/dbraw/zinc/00/18/44/697001844.db2.gz SSXBIBMSKFCFOW-WMZOPIPTSA-N 2 2 331.460 1.035 20 0 EDADLP CCc1ccc([C@@H](O)C[NH+]2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031385985 697001847 /nfs/dbraw/zinc/00/18/47/697001847.db2.gz SSXBIBMSKFCFOW-WMZOPIPTSA-N 2 2 331.460 1.035 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031593584 697292555 /nfs/dbraw/zinc/29/25/55/697292555.db2.gz DQWUROMYFMEXFP-GUYCJALGSA-N 2 2 335.423 1.265 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031593584 697292556 /nfs/dbraw/zinc/29/25/56/697292556.db2.gz DQWUROMYFMEXFP-GUYCJALGSA-N 2 2 335.423 1.265 20 0 EDADLP C[C@@H]1COC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000920603836 697451124 /nfs/dbraw/zinc/45/11/24/697451124.db2.gz OGVJDRCOXTXNSW-HZPDHXFCSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cnn(C(C)(C)C)c3)C2)CC[N@@H+]1C ZINC001031681490 697505171 /nfs/dbraw/zinc/50/51/71/697505171.db2.gz VBDJWYVVLQLEQE-RHSMWYFYSA-N 2 2 347.507 1.526 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cnn(C(C)(C)C)c3)C2)CC[N@H+]1C ZINC001031681490 697505173 /nfs/dbraw/zinc/50/51/73/697505173.db2.gz VBDJWYVVLQLEQE-RHSMWYFYSA-N 2 2 347.507 1.526 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031685548 697519094 /nfs/dbraw/zinc/51/90/94/697519094.db2.gz CBIBQMPAPRIQHE-DYVFJYSZSA-N 2 2 333.480 1.884 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031685548 697519095 /nfs/dbraw/zinc/51/90/95/697519095.db2.gz CBIBQMPAPRIQHE-DYVFJYSZSA-N 2 2 333.480 1.884 20 0 EDADLP Cc1oncc1C[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001031706991 697696014 /nfs/dbraw/zinc/69/60/14/697696014.db2.gz OZIZUFOFFUJKOA-UHFFFAOYSA-N 2 2 348.472 1.968 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@@H]3CC[N@@H+](CCCO)C[C@@H]3C)[nH+]c12 ZINC000943517545 698432209 /nfs/dbraw/zinc/43/22/09/698432209.db2.gz PNNHPTUHDHQQOI-DOTOQJQBSA-N 2 2 344.459 1.394 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@@H]3CC[N@H+](CCCO)C[C@@H]3C)[nH+]c12 ZINC000943517545 698432211 /nfs/dbraw/zinc/43/22/11/698432211.db2.gz PNNHPTUHDHQQOI-DOTOQJQBSA-N 2 2 344.459 1.394 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC000941465610 701552664 /nfs/dbraw/zinc/55/26/64/701552664.db2.gz RBGJRXOXUNLGIK-MRXNPFEDSA-N 2 2 345.491 1.074 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995153656 701553255 /nfs/dbraw/zinc/55/32/55/701553255.db2.gz PYCNTQDRLVEPAS-TZMCWYRMSA-N 2 2 331.395 1.561 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)cn1 ZINC001031764949 699050091 /nfs/dbraw/zinc/05/00/91/699050091.db2.gz QATYYBQFYWQWRN-UHFFFAOYSA-N 2 2 343.475 1.209 20 0 EDADLP C[C@H](c1cnccn1)[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765312 699051138 /nfs/dbraw/zinc/05/11/38/699051138.db2.gz VKCCCZHUOAJJKF-OAHLLOKOSA-N 2 2 343.475 1.462 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)on1 ZINC001031766964 699067914 /nfs/dbraw/zinc/06/79/14/699067914.db2.gz OTQNQJBWMZZJNH-DOTOQJQBSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)on1 ZINC001031766964 699067919 /nfs/dbraw/zinc/06/79/19/699067919.db2.gz OTQNQJBWMZZJNH-DOTOQJQBSA-N 2 2 332.448 1.548 20 0 EDADLP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000939054857 699115141 /nfs/dbraw/zinc/11/51/41/699115141.db2.gz QBCUKSODPLHBFT-WFASDCNBSA-N 2 2 347.463 1.225 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001031801385 699347160 /nfs/dbraw/zinc/34/71/60/699347160.db2.gz DNFNTJLWXIJACN-QGZVFWFLSA-N 2 2 333.480 1.089 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001031801385 699347163 /nfs/dbraw/zinc/34/71/63/699347163.db2.gz DNFNTJLWXIJACN-QGZVFWFLSA-N 2 2 333.480 1.089 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000939210023 699356884 /nfs/dbraw/zinc/35/68/84/699356884.db2.gz KZYLCWHEDABERJ-KBXCAEBGSA-N 2 2 341.459 1.655 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000939211700 699360192 /nfs/dbraw/zinc/36/01/92/699360192.db2.gz VFDDXSDQAHNVGH-BXKDBHETSA-N 2 2 339.852 1.699 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000995162175 701586115 /nfs/dbraw/zinc/58/61/15/701586115.db2.gz SBLMVPZZVFKILK-KGLIPLIRSA-N 2 2 347.488 1.802 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939237996 699408020 /nfs/dbraw/zinc/40/80/20/699408020.db2.gz YEQWOIRNWKEAAW-IUODEOHRSA-N 2 2 346.435 1.335 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1F ZINC000939409362 699563649 /nfs/dbraw/zinc/56/36/49/699563649.db2.gz TYGGEWRWCCHXNP-DOMZBBRYSA-N 2 2 346.406 1.737 20 0 EDADLP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939535653 699676797 /nfs/dbraw/zinc/67/67/97/699676797.db2.gz RIYLNCXVMKPFAG-BLLLJJGKSA-N 2 2 331.420 1.150 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1nncs1 ZINC000939552247 699702035 /nfs/dbraw/zinc/70/20/35/699702035.db2.gz WHAANMVMXHCMGH-AAEUAGOBSA-N 2 2 346.460 1.249 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC000939622707 699759858 /nfs/dbraw/zinc/75/98/58/699759858.db2.gz NSNZKDAQACLOMZ-DYVFJYSZSA-N 2 2 327.432 1.601 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000939623472 699760953 /nfs/dbraw/zinc/76/09/53/699760953.db2.gz SFLYGGDNEZQUAP-BZNIZROVSA-N 2 2 331.395 1.431 20 0 EDADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)n1 ZINC000939642827 699772072 /nfs/dbraw/zinc/77/20/72/699772072.db2.gz NBZHTOZQDZYVEX-WMLDXEAASA-N 2 2 344.463 1.206 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939643749 699783741 /nfs/dbraw/zinc/78/37/41/699783741.db2.gz WCJXJFXKTZNSTN-CXAGYDPISA-N 2 2 345.422 1.524 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnon3)C2)c[nH+]1 ZINC000994987441 699806737 /nfs/dbraw/zinc/80/67/37/699806737.db2.gz ITQGVHFREQROGL-KBPBESRZSA-N 2 2 346.435 1.384 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCCO2)C1)c1cccc2[nH+]ccn21 ZINC001031844037 699870351 /nfs/dbraw/zinc/87/03/51/699870351.db2.gz VBZGPDPRXOAVSX-MRXNPFEDSA-N 2 2 342.443 1.955 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000939747853 699894384 /nfs/dbraw/zinc/89/43/84/699894384.db2.gz MWGUKLSAEBIGQF-DOMZBBRYSA-N 2 2 343.431 1.694 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)oc1C ZINC000939745986 699911796 /nfs/dbraw/zinc/91/17/96/699911796.db2.gz FROPBLCOTTVEHR-ABAIWWIYSA-N 2 2 331.420 1.433 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)c(C)s1 ZINC000939756404 699922993 /nfs/dbraw/zinc/92/29/93/699922993.db2.gz UNGXFQKZSMKDRF-ZBEGNZNMSA-N 2 2 347.488 1.902 20 0 EDADLP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000940426163 700619633 /nfs/dbraw/zinc/61/96/33/700619633.db2.gz HJZIBYBVOCLKLO-UHFFFAOYSA-N 2 2 348.476 1.293 20 0 EDADLP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000940441278 700642545 /nfs/dbraw/zinc/64/25/45/700642545.db2.gz BDUAJLIZGKXOIK-UHFFFAOYSA-N 2 2 332.408 1.123 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC000940441714 700643348 /nfs/dbraw/zinc/64/33/48/700643348.db2.gz QAMQGXBJSHHRLA-ZFWWWQNUSA-N 2 2 334.464 1.799 20 0 EDADLP Cc1nc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)co1 ZINC000940441952 700643740 /nfs/dbraw/zinc/64/37/40/700643740.db2.gz UMMUSFPUOYNFNT-UHFFFAOYSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482519 700670341 /nfs/dbraw/zinc/67/03/41/700670341.db2.gz BGJPLOPPIVQJHH-UHFFFAOYSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1cncc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000940482677 700670696 /nfs/dbraw/zinc/67/06/96/700670696.db2.gz LJWXBZMAPJANOL-UHFFFAOYSA-N 2 2 327.432 1.757 20 0 EDADLP CCOC1CC(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000940483545 700671311 /nfs/dbraw/zinc/67/13/11/700671311.db2.gz IQMYQAFNPHNFOG-UHFFFAOYSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)nc1 ZINC000940624144 700785924 /nfs/dbraw/zinc/78/59/24/700785924.db2.gz BBLKVFQFVPJSEO-CVEARBPZSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)nc1 ZINC000940624144 700785926 /nfs/dbraw/zinc/78/59/26/700785926.db2.gz BBLKVFQFVPJSEO-CVEARBPZSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nc1 ZINC000940624144 700785927 /nfs/dbraw/zinc/78/59/27/700785927.db2.gz BBLKVFQFVPJSEO-CVEARBPZSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nc1 ZINC000940624144 700785929 /nfs/dbraw/zinc/78/59/29/700785929.db2.gz BBLKVFQFVPJSEO-CVEARBPZSA-N 2 2 345.491 1.596 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940626084 700788370 /nfs/dbraw/zinc/78/83/70/700788370.db2.gz ZAFZPLMSPWBBLG-SJORKVTESA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940626084 700788371 /nfs/dbraw/zinc/78/83/71/700788371.db2.gz ZAFZPLMSPWBBLG-SJORKVTESA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940626084 700788372 /nfs/dbraw/zinc/78/83/72/700788372.db2.gz ZAFZPLMSPWBBLG-SJORKVTESA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940626084 700788373 /nfs/dbraw/zinc/78/83/73/700788373.db2.gz ZAFZPLMSPWBBLG-SJORKVTESA-N 2 2 347.507 1.714 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](C[C@@H](C)O)CC3(C)C)ccn12 ZINC000940744645 700882765 /nfs/dbraw/zinc/88/27/65/700882765.db2.gz KMDGXVWMVYJLQO-GDBMZVCRSA-N 2 2 344.459 1.854 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](C[C@@H](C)O)CC3(C)C)ccn12 ZINC000940744645 700882766 /nfs/dbraw/zinc/88/27/66/700882766.db2.gz KMDGXVWMVYJLQO-GDBMZVCRSA-N 2 2 344.459 1.854 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940832573 700931846 /nfs/dbraw/zinc/93/18/46/700931846.db2.gz ZDSITGOCKGGIPE-INIZCTEOSA-N 2 2 335.448 1.496 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940832573 700931848 /nfs/dbraw/zinc/93/18/48/700931848.db2.gz ZDSITGOCKGGIPE-INIZCTEOSA-N 2 2 335.448 1.496 20 0 EDADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886193 700963938 /nfs/dbraw/zinc/96/39/38/700963938.db2.gz LNJIWEINVIOXRQ-ZFWWWQNUSA-N 2 2 330.432 1.545 20 0 EDADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886193 700963940 /nfs/dbraw/zinc/96/39/40/700963940.db2.gz LNJIWEINVIOXRQ-ZFWWWQNUSA-N 2 2 330.432 1.545 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)o2)CC1(C)C ZINC000940892819 700968176 /nfs/dbraw/zinc/96/81/76/700968176.db2.gz LNOHHBDXJJJVLI-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)o2)CC1(C)C ZINC000940892819 700968178 /nfs/dbraw/zinc/96/81/78/700968178.db2.gz LNOHHBDXJJJVLI-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)C2)on1 ZINC000940893375 700968268 /nfs/dbraw/zinc/96/82/68/700968268.db2.gz PFNVLBJUABSQAO-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)C2)on1 ZINC000940893375 700968269 /nfs/dbraw/zinc/96/82/69/700968269.db2.gz PFNVLBJUABSQAO-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)s1 ZINC000995109873 700973592 /nfs/dbraw/zinc/97/35/92/700973592.db2.gz XPLJNVAURIUQTF-CHWSQXEVSA-N 2 2 333.461 1.792 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000995114356 701042754 /nfs/dbraw/zinc/04/27/54/701042754.db2.gz HUSDARAJFPUVJL-HIFRSBDPSA-N 2 2 343.431 1.431 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(F)c3)C2)C1 ZINC001031920877 701059951 /nfs/dbraw/zinc/05/99/51/701059951.db2.gz BTAMHXBHRTZVKC-GOSISDBHSA-N 2 2 349.450 1.483 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(F)c3)C2)C1 ZINC001031920877 701059953 /nfs/dbraw/zinc/05/99/53/701059953.db2.gz BTAMHXBHRTZVKC-GOSISDBHSA-N 2 2 349.450 1.483 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C(C)(C)C2)n1 ZINC000941027557 701067546 /nfs/dbraw/zinc/06/75/46/701067546.db2.gz VYSSYEBMXXCNGN-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C(C)(C)C2)n1 ZINC000941027557 701067547 /nfs/dbraw/zinc/06/75/47/701067547.db2.gz VYSSYEBMXXCNGN-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C(C)(C)C2)n1 ZINC000941027557 701067549 /nfs/dbraw/zinc/06/75/49/701067549.db2.gz VYSSYEBMXXCNGN-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C(C)(C)C2)n1 ZINC000941027557 701067551 /nfs/dbraw/zinc/06/75/51/701067551.db2.gz VYSSYEBMXXCNGN-DZGCQCFKSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C(C)(C)C2)o1 ZINC000941031882 701073464 /nfs/dbraw/zinc/07/34/64/701073464.db2.gz CPRWXIHXPUSDJU-UKRRQHHQSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C(C)(C)C2)o1 ZINC000941031882 701073467 /nfs/dbraw/zinc/07/34/67/701073467.db2.gz CPRWXIHXPUSDJU-UKRRQHHQSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C(C)(C)C2)o1 ZINC000941031882 701073469 /nfs/dbraw/zinc/07/34/69/701073469.db2.gz CPRWXIHXPUSDJU-UKRRQHHQSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C(C)(C)C2)o1 ZINC000941031882 701073473 /nfs/dbraw/zinc/07/34/73/701073473.db2.gz CPRWXIHXPUSDJU-UKRRQHHQSA-N 2 2 349.479 1.579 20 0 EDADLP 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701109727 /nfs/dbraw/zinc/10/97/27/701109727.db2.gz YEZPPRFMUZRXNO-BDVYOWHSSA-N 2 2 348.491 1.984 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000941063060 701110636 /nfs/dbraw/zinc/11/06/36/701110636.db2.gz BBWBIIRVSXHMJZ-KGLIPLIRSA-N 2 2 349.479 1.097 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000941063060 701110637 /nfs/dbraw/zinc/11/06/37/701110637.db2.gz BBWBIIRVSXHMJZ-KGLIPLIRSA-N 2 2 349.479 1.097 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808018 701199261 /nfs/dbraw/zinc/19/92/61/701199261.db2.gz MZMNHKBCONQHJG-BBRMVZONSA-N 2 2 331.395 1.444 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808018 701199263 /nfs/dbraw/zinc/19/92/63/701199263.db2.gz MZMNHKBCONQHJG-BBRMVZONSA-N 2 2 331.395 1.444 20 0 EDADLP CC1(C)C[N@H+](CC2CCOCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941128888 701205516 /nfs/dbraw/zinc/20/55/16/701205516.db2.gz ACSMITLXXFXLDR-OAHLLOKOSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941128888 701205520 /nfs/dbraw/zinc/20/55/20/701205520.db2.gz ACSMITLXXFXLDR-OAHLLOKOSA-N 2 2 334.464 1.596 20 0 EDADLP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)cn1 ZINC000941130608 701208423 /nfs/dbraw/zinc/20/84/23/701208423.db2.gz UFYDCIKQORTURS-HNNXBMFYSA-N 2 2 344.463 1.145 20 0 EDADLP Cn1cc(CC[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)cn1 ZINC000941130608 701208424 /nfs/dbraw/zinc/20/84/24/701208424.db2.gz UFYDCIKQORTURS-HNNXBMFYSA-N 2 2 344.463 1.145 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163983 701229165 /nfs/dbraw/zinc/22/91/65/701229165.db2.gz RCPDIPZXTZOCHS-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163983 701229168 /nfs/dbraw/zinc/22/91/68/701229168.db2.gz RCPDIPZXTZOCHS-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163983 701229172 /nfs/dbraw/zinc/22/91/72/701229172.db2.gz RCPDIPZXTZOCHS-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941163983 701229175 /nfs/dbraw/zinc/22/91/75/701229175.db2.gz RCPDIPZXTZOCHS-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1)OC ZINC000941167173 701378073 /nfs/dbraw/zinc/37/80/73/701378073.db2.gz RVDMFCHYWCGMLK-CVEARBPZSA-N 2 2 336.480 1.604 20 0 EDADLP CC[C@H](C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1)OC ZINC000941167173 701378074 /nfs/dbraw/zinc/37/80/74/701378074.db2.gz RVDMFCHYWCGMLK-CVEARBPZSA-N 2 2 336.480 1.604 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223935 701414287 /nfs/dbraw/zinc/41/42/87/701414287.db2.gz ODMJSVSPMLIPCJ-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223935 701414288 /nfs/dbraw/zinc/41/42/88/701414288.db2.gz ODMJSVSPMLIPCJ-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP COc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001032651199 706600956 /nfs/dbraw/zinc/60/09/56/706600956.db2.gz LBHQDAPBHYOMBW-IRXDYDNUSA-N 2 2 340.427 1.489 20 0 EDADLP COc1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001032651199 706600960 /nfs/dbraw/zinc/60/09/60/706600960.db2.gz LBHQDAPBHYOMBW-IRXDYDNUSA-N 2 2 340.427 1.489 20 0 EDADLP CCc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC000995180710 701997612 /nfs/dbraw/zinc/99/76/12/701997612.db2.gz FVGQLFWQWHWVOW-ZIAGYGMSSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1C ZINC000944446819 702038072 /nfs/dbraw/zinc/03/80/72/702038072.db2.gz WRKYAMONYKDQRI-WFASDCNBSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCc2ccns2)C[C@@H]1C ZINC000944446819 702038078 /nfs/dbraw/zinc/03/80/78/702038078.db2.gz WRKYAMONYKDQRI-WFASDCNBSA-N 2 2 347.488 1.786 20 0 EDADLP CCn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC000995182901 702095294 /nfs/dbraw/zinc/09/52/94/702095294.db2.gz KHYSISADXCZRGX-GJZGRUSLSA-N 2 2 344.463 1.552 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000995185387 702124624 /nfs/dbraw/zinc/12/46/24/702124624.db2.gz NVVIUKJEXXVTRN-KGLIPLIRSA-N 2 2 330.436 1.069 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(F)ccc3Cl)C2)C1 ZINC001032182916 702152712 /nfs/dbraw/zinc/15/27/12/702152712.db2.gz VQDFGZDEVMFCKB-ZDUSSCGKSA-N 2 2 339.842 1.979 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cc(F)ccc3Cl)C2)C1 ZINC001032182916 702152714 /nfs/dbraw/zinc/15/27/14/702152714.db2.gz VQDFGZDEVMFCKB-ZDUSSCGKSA-N 2 2 339.842 1.979 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nccnc2C)C1 ZINC000995187704 702200839 /nfs/dbraw/zinc/20/08/39/702200839.db2.gz SWORXSJWTOUXGD-LSDHHAIUSA-N 2 2 342.447 1.434 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC000995188428 702216835 /nfs/dbraw/zinc/21/68/35/702216835.db2.gz WHFDDNZUAAJCLG-GJZGRUSLSA-N 2 2 342.447 1.434 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995189218 702226643 /nfs/dbraw/zinc/22/66/43/702226643.db2.gz ZKAVZCLCZSBPNS-CZUORRHYSA-N 2 2 345.422 1.869 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccnc2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097093 702261045 /nfs/dbraw/zinc/26/10/45/702261045.db2.gz DATRRUSUZSBMLF-YOEHRIQHSA-N 2 2 327.432 1.384 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccnc2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097093 702261050 /nfs/dbraw/zinc/26/10/50/702261050.db2.gz DATRRUSUZSBMLF-YOEHRIQHSA-N 2 2 327.432 1.384 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)o1 ZINC000944097235 702262150 /nfs/dbraw/zinc/26/21/50/702262150.db2.gz FGMHOMFIQJJQHF-LRDDRELGSA-N 2 2 345.447 1.594 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)o1 ZINC000944097235 702262154 /nfs/dbraw/zinc/26/21/54/702262154.db2.gz FGMHOMFIQJJQHF-LRDDRELGSA-N 2 2 345.447 1.594 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C)[NH+]1CCCCCC1 ZINC001032664734 706659765 /nfs/dbraw/zinc/65/97/65/706659765.db2.gz PIKJIEQYCGZNJC-ULQDDVLXSA-N 2 2 345.491 1.470 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000995986552 702348271 /nfs/dbraw/zinc/34/82/71/702348271.db2.gz YVYDWSAQKFUCHS-KGLIPLIRSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000995986552 702348278 /nfs/dbraw/zinc/34/82/78/702348278.db2.gz YVYDWSAQKFUCHS-KGLIPLIRSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000995986558 702348578 /nfs/dbraw/zinc/34/85/78/702348578.db2.gz YVYDWSAQKFUCHS-UONOGXRCSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000995986558 702348584 /nfs/dbraw/zinc/34/85/84/702348584.db2.gz YVYDWSAQKFUCHS-UONOGXRCSA-N 2 2 337.493 1.349 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)n1 ZINC000996055693 702453148 /nfs/dbraw/zinc/45/31/48/702453148.db2.gz CNWCICQHAJQZRU-TZMCWYRMSA-N 2 2 346.435 1.471 20 0 EDADLP CCC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996094079 702507467 /nfs/dbraw/zinc/50/74/67/702507467.db2.gz XJJDQBMICMHCPB-SJORKVTESA-N 2 2 337.508 1.724 20 0 EDADLP CCC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996094079 702507471 /nfs/dbraw/zinc/50/74/71/702507471.db2.gz XJJDQBMICMHCPB-SJORKVTESA-N 2 2 337.508 1.724 20 0 EDADLP Cc1oncc1C[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996107606 702530972 /nfs/dbraw/zinc/53/09/72/702530972.db2.gz TZLZMPASRFFEJQ-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000996355393 702733015 /nfs/dbraw/zinc/73/30/15/702733015.db2.gz LNWKJCBKTSRSMC-OAHLLOKOSA-N 2 2 331.395 1.513 20 0 EDADLP CCCc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)no1 ZINC000995216994 702735588 /nfs/dbraw/zinc/73/55/88/702735588.db2.gz VRMZEBWSGXHYIC-LSDHHAIUSA-N 2 2 349.479 1.492 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC(NC(=O)C34CC[NH+](CC3)C4)C2)c(C)[nH+]1 ZINC000996470323 702823643 /nfs/dbraw/zinc/82/36/43/702823643.db2.gz RAMDTMOIWAISOL-UHFFFAOYSA-N 2 2 342.443 1.043 20 0 EDADLP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC000996518207 702853680 /nfs/dbraw/zinc/85/36/80/702853680.db2.gz IIUMGLYTJWAOBS-AWEZNQCLSA-N 2 2 344.463 1.448 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)[nH]1 ZINC000996608597 702911966 /nfs/dbraw/zinc/91/19/66/702911966.db2.gz DDRSASJURKFPNU-GXTWGEPZSA-N 2 2 334.468 1.097 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)s1 ZINC000996623720 702921366 /nfs/dbraw/zinc/92/13/66/702921366.db2.gz NZDXPGQFEZEQBN-CQSZACIVSA-N 2 2 347.488 1.983 20 0 EDADLP CCCc1noc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995250137 702962601 /nfs/dbraw/zinc/96/26/01/702962601.db2.gz NHCOZORHFJJSEL-ZIAGYGMSSA-N 2 2 346.435 1.293 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c(C)n1 ZINC000995248292 702966721 /nfs/dbraw/zinc/96/67/21/702966721.db2.gz KMWSHTZKIWQEHA-FUHWJXTLSA-N 2 2 341.459 1.970 20 0 EDADLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)cc1C ZINC001032315610 702978015 /nfs/dbraw/zinc/97/80/15/702978015.db2.gz RIZHLDSSYREMBF-BZSNNMDCSA-N 2 2 343.471 1.883 20 0 EDADLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)cc1C ZINC001032315610 702978016 /nfs/dbraw/zinc/97/80/16/702978016.db2.gz RIZHLDSSYREMBF-BZSNNMDCSA-N 2 2 343.471 1.883 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001032315610 702978017 /nfs/dbraw/zinc/97/80/17/702978017.db2.gz RIZHLDSSYREMBF-BZSNNMDCSA-N 2 2 343.471 1.883 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001032315610 702978018 /nfs/dbraw/zinc/97/80/18/702978018.db2.gz RIZHLDSSYREMBF-BZSNNMDCSA-N 2 2 343.471 1.883 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000996711039 703005448 /nfs/dbraw/zinc/00/54/48/703005448.db2.gz AUIXBCYQEGLIKJ-CQSZACIVSA-N 2 2 347.850 1.958 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996717524 703011157 /nfs/dbraw/zinc/01/11/57/703011157.db2.gz PTZOPUPPJPLZSE-KRWDZBQOSA-N 2 2 347.459 1.782 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)c[nH+]1 ZINC000996718474 703012219 /nfs/dbraw/zinc/01/22/19/703012219.db2.gz SZKSQUPUCYMZQF-UHFFFAOYSA-N 2 2 344.463 1.441 20 0 EDADLP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000996721769 703017229 /nfs/dbraw/zinc/01/72/29/703017229.db2.gz HKHYUEBKGNRWKO-SWLSCSKDSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000996721769 703017231 /nfs/dbraw/zinc/01/72/31/703017231.db2.gz HKHYUEBKGNRWKO-SWLSCSKDSA-N 2 2 335.452 1.504 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996726044 703021073 /nfs/dbraw/zinc/02/10/73/703021073.db2.gz BNYYBYBIMAIXGB-UHFFFAOYSA-N 2 2 342.428 1.809 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996728531 703023615 /nfs/dbraw/zinc/02/36/15/703023615.db2.gz BQTAGFBLXGANOG-CQSZACIVSA-N 2 2 340.431 1.016 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)co1 ZINC000996732197 703029294 /nfs/dbraw/zinc/02/92/94/703029294.db2.gz OOHIOBUKYPWNFM-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000996734243 703030427 /nfs/dbraw/zinc/03/04/27/703030427.db2.gz WHHJIWLYYWZUPG-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996754282 703043392 /nfs/dbraw/zinc/04/33/92/703043392.db2.gz CDRAROXKAVSMGA-MRXNPFEDSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000996798291 703090540 /nfs/dbraw/zinc/09/05/40/703090540.db2.gz KXKISRJNKWNMRI-UHFFFAOYSA-N 2 2 344.419 1.233 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)CCO1 ZINC000996834404 703122425 /nfs/dbraw/zinc/12/24/25/703122425.db2.gz OCUDKBZDKKKHBZ-HOTGVXAUSA-N 2 2 348.491 1.748 20 0 EDADLP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000996858259 703142452 /nfs/dbraw/zinc/14/24/52/703142452.db2.gz FWMDDWDRGGZFFP-CYBMUJFWSA-N 2 2 346.435 1.560 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1)c1cnccn1 ZINC000996858381 703142832 /nfs/dbraw/zinc/14/28/32/703142832.db2.gz HMZOWOBEQXKYHR-CQSZACIVSA-N 2 2 328.420 1.405 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996863114 703145851 /nfs/dbraw/zinc/14/58/51/703145851.db2.gz HEHYYAKRTFXQMS-LJQANCHMSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996863114 703145853 /nfs/dbraw/zinc/14/58/53/703145853.db2.gz HEHYYAKRTFXQMS-LJQANCHMSA-N 2 2 349.519 1.868 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)on1 ZINC000997018339 703268641 /nfs/dbraw/zinc/26/86/41/703268641.db2.gz USKPDJDNXZFHAM-HZPDHXFCSA-N 2 2 343.431 1.601 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000997042974 703292700 /nfs/dbraw/zinc/29/27/00/703292700.db2.gz SWFKYUBGWNQGTM-UHFFFAOYSA-N 2 2 330.407 1.915 20 0 EDADLP CCOc1cccc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000997122803 703379315 /nfs/dbraw/zinc/37/93/15/703379315.db2.gz DSFIAFVSWODOPA-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP CCCn1c(C)nnc1C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997127700 703384792 /nfs/dbraw/zinc/38/47/92/703384792.db2.gz RQVPPCCEJPYUPL-UHFFFAOYSA-N 2 2 345.451 1.043 20 0 EDADLP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001032409241 703438553 /nfs/dbraw/zinc/43/85/53/703438553.db2.gz HFZBOIXRVFCLLQ-LTIDMASMSA-N 2 2 328.460 1.849 20 0 EDADLP CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001032409241 703438554 /nfs/dbraw/zinc/43/85/54/703438554.db2.gz HFZBOIXRVFCLLQ-LTIDMASMSA-N 2 2 328.460 1.849 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccn2)CC[N@@H+]1C ZINC001032411909 703456458 /nfs/dbraw/zinc/45/64/58/703456458.db2.gz ASBJAWPZSUGYBD-XLAORIBOSA-N 2 2 328.460 1.597 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccn2)CC[N@H+]1C ZINC001032411909 703456460 /nfs/dbraw/zinc/45/64/60/703456460.db2.gz ASBJAWPZSUGYBD-XLAORIBOSA-N 2 2 328.460 1.597 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccn2)CC[NH+]1C ZINC001032411909 703456462 /nfs/dbraw/zinc/45/64/62/703456462.db2.gz ASBJAWPZSUGYBD-XLAORIBOSA-N 2 2 328.460 1.597 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccn2)CC[NH+]1C ZINC001032411909 703456464 /nfs/dbraw/zinc/45/64/64/703456464.db2.gz ASBJAWPZSUGYBD-XLAORIBOSA-N 2 2 328.460 1.597 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997182336 703467708 /nfs/dbraw/zinc/46/77/08/703467708.db2.gz XBKAWPQEHCWNJI-CZUORRHYSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997182336 703467710 /nfs/dbraw/zinc/46/77/10/703467710.db2.gz XBKAWPQEHCWNJI-CZUORRHYSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000997220529 703498800 /nfs/dbraw/zinc/49/88/00/703498800.db2.gz CEPYTPUSQCJRAU-ZDUSSCGKSA-N 2 2 331.420 1.899 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000997310809 703567645 /nfs/dbraw/zinc/56/76/45/703567645.db2.gz UZIUFNHOYREHIF-LBPRGKRZSA-N 2 2 346.435 1.479 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997434309 703664706 /nfs/dbraw/zinc/66/47/06/703664706.db2.gz KYZJICJVQYDKTA-PBHICJAKSA-N 2 2 349.479 1.661 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997434309 703664708 /nfs/dbraw/zinc/66/47/08/703664708.db2.gz KYZJICJVQYDKTA-PBHICJAKSA-N 2 2 349.479 1.661 20 0 EDADLP CCc1nnc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC000997412559 703668207 /nfs/dbraw/zinc/66/82/07/703668207.db2.gz FBKQKBPCHXFCKS-UHFFFAOYSA-N 2 2 334.449 1.078 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928495 703809945 /nfs/dbraw/zinc/80/99/45/703809945.db2.gz BJPOEYLEDWHZJK-DOMZBBRYSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928495 703809947 /nfs/dbraw/zinc/80/99/47/703809947.db2.gz BJPOEYLEDWHZJK-DOMZBBRYSA-N 2 2 331.420 1.428 20 0 EDADLP O=C(N[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1)C12CC[NH+](CC1)C2 ZINC001016003298 703826594 /nfs/dbraw/zinc/82/65/94/703826594.db2.gz FTRKSJRKNPEXPO-AWEZNQCLSA-N 2 2 330.432 1.338 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1)C12CC[NH+](CC1)C2 ZINC001016003298 703826597 /nfs/dbraw/zinc/82/65/97/703826597.db2.gz FTRKSJRKNPEXPO-AWEZNQCLSA-N 2 2 330.432 1.338 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C)on1 ZINC000947930595 703882551 /nfs/dbraw/zinc/88/25/51/703882551.db2.gz SUNMYLCWOAAAHD-KBPBESRZSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C)on1 ZINC000947930595 703882554 /nfs/dbraw/zinc/88/25/54/703882554.db2.gz SUNMYLCWOAAAHD-KBPBESRZSA-N 2 2 331.420 1.428 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032513856 703905684 /nfs/dbraw/zinc/90/56/84/703905684.db2.gz BXRDHUOLBRMGQG-BPUTZDHNSA-N 2 2 341.415 1.201 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032513856 703905686 /nfs/dbraw/zinc/90/56/86/703905686.db2.gz BXRDHUOLBRMGQG-BPUTZDHNSA-N 2 2 341.415 1.201 20 0 EDADLP CCn1cc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3CC)CC2)nn1 ZINC001004208492 703968902 /nfs/dbraw/zinc/96/89/02/703968902.db2.gz QAEVOBDBVYNVBY-QGZVFWFLSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1cc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3CC)CC2)nn1 ZINC001004208492 703968908 /nfs/dbraw/zinc/96/89/08/703968908.db2.gz QAEVOBDBVYNVBY-QGZVFWFLSA-N 2 2 348.495 1.253 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncc(F)c3)C2)CC[N@@H+]1C ZINC001033095304 704181369 /nfs/dbraw/zinc/18/13/69/704181369.db2.gz WDFVBSWNOSEREI-XOKHGSTOSA-N 2 2 334.439 1.594 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncc(F)c3)C2)CC[N@H+]1C ZINC001033095304 704181373 /nfs/dbraw/zinc/18/13/73/704181373.db2.gz WDFVBSWNOSEREI-XOKHGSTOSA-N 2 2 334.439 1.594 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)CC[NH+]1C ZINC001033095304 704181375 /nfs/dbraw/zinc/18/13/75/704181375.db2.gz WDFVBSWNOSEREI-XOKHGSTOSA-N 2 2 334.439 1.594 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CC[NH+]1C ZINC001033095304 704181378 /nfs/dbraw/zinc/18/13/78/704181378.db2.gz WDFVBSWNOSEREI-XOKHGSTOSA-N 2 2 334.439 1.594 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)[N@H+](C)C1 ZINC000922659915 704198986 /nfs/dbraw/zinc/19/89/86/704198986.db2.gz WYGVZBWQPBEODU-BBWFWOEESA-N 2 2 328.416 1.460 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)[N@@H+](C)C1 ZINC000922659915 704198988 /nfs/dbraw/zinc/19/89/88/704198988.db2.gz WYGVZBWQPBEODU-BBWFWOEESA-N 2 2 328.416 1.460 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032545020 704648863 /nfs/dbraw/zinc/64/88/63/704648863.db2.gz VFYJDUNCJKBZRE-WBAXXEDZSA-N 2 2 340.427 1.806 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032545020 704648865 /nfs/dbraw/zinc/64/88/65/704648865.db2.gz VFYJDUNCJKBZRE-WBAXXEDZSA-N 2 2 340.427 1.806 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CCCO)CC1 ZINC000997763605 704668876 /nfs/dbraw/zinc/66/88/76/704668876.db2.gz ZPXGUMLWZWXRLD-NUEKZKHPSA-N 2 2 334.464 1.123 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)c1cnccn1 ZINC000997818837 704740152 /nfs/dbraw/zinc/74/01/52/704740152.db2.gz YAGWHLOPISXNFO-AWEZNQCLSA-N 2 2 342.447 1.722 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)c1cnccn1 ZINC000997818837 704740154 /nfs/dbraw/zinc/74/01/54/704740154.db2.gz YAGWHLOPISXNFO-AWEZNQCLSA-N 2 2 342.447 1.722 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997830283 704749202 /nfs/dbraw/zinc/74/92/02/704749202.db2.gz HEKHKPXLUIXJOF-HNNXBMFYSA-N 2 2 344.419 1.172 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000997832096 704750483 /nfs/dbraw/zinc/75/04/83/704750483.db2.gz YUTKCRYYTJWZOK-QGZVFWFLSA-N 2 2 349.479 1.300 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997861337 704771861 /nfs/dbraw/zinc/77/18/61/704771861.db2.gz LPDJDKSDCKWEHX-UHFFFAOYSA-N 2 2 340.387 1.588 20 0 EDADLP C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944990 704797967 /nfs/dbraw/zinc/79/79/67/704797967.db2.gz PRSKEPSSYLCABE-UKRRQHHQSA-N 2 2 347.463 1.369 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944990 704797968 /nfs/dbraw/zinc/79/79/68/704797968.db2.gz PRSKEPSSYLCABE-UKRRQHHQSA-N 2 2 347.463 1.369 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC000944966361 704838970 /nfs/dbraw/zinc/83/89/70/704838970.db2.gz YMEKGQSQAXBUSU-GDBMZVCRSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC000944966361 704838976 /nfs/dbraw/zinc/83/89/76/704838976.db2.gz YMEKGQSQAXBUSU-GDBMZVCRSA-N 2 2 342.447 1.317 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000948634403 704991326 /nfs/dbraw/zinc/99/13/26/704991326.db2.gz YVXRZSFGBZORJU-GOSISDBHSA-N 2 2 347.507 1.519 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000948634403 704991328 /nfs/dbraw/zinc/99/13/28/704991328.db2.gz YVXRZSFGBZORJU-GOSISDBHSA-N 2 2 347.507 1.519 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC000997953111 705081451 /nfs/dbraw/zinc/08/14/51/705081451.db2.gz RSQREVNQRIFOGQ-NVXWUHKLSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)s1 ZINC000997953774 705082592 /nfs/dbraw/zinc/08/25/92/705082592.db2.gz ZXFJNBWKXUMUMQ-UHFFFAOYSA-N 2 2 348.476 1.462 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998044582 705239932 /nfs/dbraw/zinc/23/99/32/705239932.db2.gz HWJZVRWWCQLZNC-SJORKVTESA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998044582 705239933 /nfs/dbraw/zinc/23/99/33/705239933.db2.gz HWJZVRWWCQLZNC-SJORKVTESA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998052951 705256523 /nfs/dbraw/zinc/25/65/23/705256523.db2.gz RDTLBTPODFTTIG-HOTGVXAUSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998052951 705256526 /nfs/dbraw/zinc/25/65/26/705256526.db2.gz RDTLBTPODFTTIG-HOTGVXAUSA-N 2 2 334.464 1.141 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1)n1cc[nH+]c1 ZINC000998129165 705392940 /nfs/dbraw/zinc/39/29/40/705392940.db2.gz ZBCUQNWBYVVKPJ-HNNXBMFYSA-N 2 2 344.463 1.596 20 0 EDADLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(F)c2)CC1 ZINC001032602303 705393133 /nfs/dbraw/zinc/39/31/33/705393133.db2.gz NDSAINAKYFEPQN-ROUUACIJSA-N 2 2 331.435 1.953 20 0 EDADLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(F)c2)CC1 ZINC001032602303 705393134 /nfs/dbraw/zinc/39/31/34/705393134.db2.gz NDSAINAKYFEPQN-ROUUACIJSA-N 2 2 331.435 1.953 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998244890 705591515 /nfs/dbraw/zinc/59/15/15/705591515.db2.gz QDXBIZZWDDVFIZ-MRXNPFEDSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2nccc(C)n2)CC1 ZINC000998269876 705652095 /nfs/dbraw/zinc/65/20/95/705652095.db2.gz PJEJTQHQIROQDY-UHFFFAOYSA-N 2 2 342.447 1.318 20 0 EDADLP CC(C)n1ncnc1C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000998296251 705698179 /nfs/dbraw/zinc/69/81/79/705698179.db2.gz ATXRRQPVFRCUDN-UHFFFAOYSA-N 2 2 345.451 1.084 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CCC[C@@H]2C)c1 ZINC001032626882 705723768 /nfs/dbraw/zinc/72/37/68/705723768.db2.gz NTYHIYJZYXNNMJ-SZMVWBNQSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC001032626882 705723770 /nfs/dbraw/zinc/72/37/70/705723770.db2.gz NTYHIYJZYXNNMJ-SZMVWBNQSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@@H]2C)c1 ZINC001032626882 705723772 /nfs/dbraw/zinc/72/37/72/705723772.db2.gz NTYHIYJZYXNNMJ-SZMVWBNQSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@@H]2C)c1 ZINC001032626882 705723773 /nfs/dbraw/zinc/72/37/73/705723773.db2.gz NTYHIYJZYXNNMJ-SZMVWBNQSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000998902420 706338991 /nfs/dbraw/zinc/33/89/91/706338991.db2.gz VDYKRLCZLGPUGC-PIMMBPRGSA-N 2 2 344.419 1.231 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2nc(C(C)C)no2)C1 ZINC000999127583 706529228 /nfs/dbraw/zinc/52/92/28/706529228.db2.gz SFCFYGZFBZAIPF-UHFFFAOYSA-N 2 2 346.435 1.477 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999127635 706529643 /nfs/dbraw/zinc/52/96/43/706529643.db2.gz SZTALECKEFLKRP-UHFFFAOYSA-N 2 2 344.419 1.231 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1)C1CC1 ZINC000999377835 706872123 /nfs/dbraw/zinc/87/21/23/706872123.db2.gz XDCWQCYONRCSIP-GDBMZVCRSA-N 2 2 346.479 1.103 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)[nH]1 ZINC000999371885 706886040 /nfs/dbraw/zinc/88/60/40/706886040.db2.gz NHRWKWKKCOEEQP-GOEBONIOSA-N 2 2 348.495 1.349 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000999475367 706984088 /nfs/dbraw/zinc/98/40/88/706984088.db2.gz XWBPLRSTHYWATJ-DCBWTQNWSA-N 2 2 326.391 1.967 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999533915 707034688 /nfs/dbraw/zinc/03/46/88/707034688.db2.gz BCNMIAWSPIAENC-LSDHHAIUSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999706645 707297403 /nfs/dbraw/zinc/29/74/03/707297403.db2.gz CFLMFUPXACZLSR-OAHLLOKOSA-N 2 2 328.420 1.071 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000999747044 707346627 /nfs/dbraw/zinc/34/66/27/707346627.db2.gz JZQQQKYPRMVJID-UHFFFAOYSA-N 2 2 330.436 1.082 20 0 EDADLP Cc1csc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC000999747050 707346764 /nfs/dbraw/zinc/34/67/64/707346764.db2.gz KBECFNSZVZJVBR-UHFFFAOYSA-N 2 2 333.461 1.805 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+][C@H](C)c2ncccn2)C1 ZINC000999752134 707353989 /nfs/dbraw/zinc/35/39/89/707353989.db2.gz CJEQERFCLJRACF-IYXRBSQSSA-N 2 2 328.420 1.391 20 0 EDADLP CCCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999839326 707411883 /nfs/dbraw/zinc/41/18/83/707411883.db2.gz ZXTQPFUJHOUTBJ-HNNXBMFYSA-N 2 2 345.451 1.056 20 0 EDADLP C[C@H]([NH2+]Cc1ccon1)[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004844898 707412295 /nfs/dbraw/zinc/41/22/95/707412295.db2.gz HDTMGINOFBLALP-ZFWWWQNUSA-N 2 2 331.420 1.890 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197045 707412914 /nfs/dbraw/zinc/41/29/14/707412914.db2.gz GREVNACEABLLRD-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197045 707412916 /nfs/dbraw/zinc/41/29/16/707412916.db2.gz GREVNACEABLLRD-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033197045 707412918 /nfs/dbraw/zinc/41/29/18/707412918.db2.gz GREVNACEABLLRD-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033197045 707412920 /nfs/dbraw/zinc/41/29/20/707412920.db2.gz GREVNACEABLLRD-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000999843035 707416320 /nfs/dbraw/zinc/41/63/20/707416320.db2.gz RMQSLBIHSYZMOD-OAHLLOKOSA-N 2 2 342.447 1.197 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033298085 707435777 /nfs/dbraw/zinc/43/57/77/707435777.db2.gz ZQBYLGCWMVQAHB-MOPGFXCFSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033298085 707435778 /nfs/dbraw/zinc/43/57/78/707435778.db2.gz ZQBYLGCWMVQAHB-MOPGFXCFSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033298085 707435781 /nfs/dbraw/zinc/43/57/81/707435781.db2.gz ZQBYLGCWMVQAHB-MOPGFXCFSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033298085 707435784 /nfs/dbraw/zinc/43/57/84/707435784.db2.gz ZQBYLGCWMVQAHB-MOPGFXCFSA-N 2 2 349.519 1.820 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)no1 ZINC000999835860 707470381 /nfs/dbraw/zinc/47/03/81/707470381.db2.gz HFOCQFNQQIEESM-GWMXKSKGSA-N 2 2 332.408 1.223 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319463 707498025 /nfs/dbraw/zinc/49/80/25/707498025.db2.gz QNLMVIMSTMAPTQ-HNNXBMFYSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033319463 707498030 /nfs/dbraw/zinc/49/80/30/707498030.db2.gz QNLMVIMSTMAPTQ-HNNXBMFYSA-N 2 2 348.495 1.205 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001000113848 707705969 /nfs/dbraw/zinc/70/59/69/707705969.db2.gz TWUYTABAQIWFHR-XJKSGUPXSA-N 2 2 337.468 1.299 20 0 EDADLP Cc1noc([C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033393579 707729344 /nfs/dbraw/zinc/72/93/44/707729344.db2.gz FTNLLQQYFPJGDI-WFASDCNBSA-N 2 2 335.452 1.314 20 0 EDADLP Cc1noc([C@H](C)[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033393579 707729345 /nfs/dbraw/zinc/72/93/45/707729345.db2.gz FTNLLQQYFPJGDI-WFASDCNBSA-N 2 2 335.452 1.314 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1)c1c[nH+]c[nH]1 ZINC001032731968 707735874 /nfs/dbraw/zinc/73/58/74/707735874.db2.gz QOYFVZAUZDEHIN-JYJNAYRXSA-N 2 2 346.475 1.789 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1)c1c[nH+]c[nH]1 ZINC001032731968 707735877 /nfs/dbraw/zinc/73/58/77/707735877.db2.gz QOYFVZAUZDEHIN-JYJNAYRXSA-N 2 2 346.475 1.789 20 0 EDADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001004959406 707770840 /nfs/dbraw/zinc/77/08/40/707770840.db2.gz YSOILHPCJOXUEG-DOMZBBRYSA-N 2 2 347.419 1.508 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001033417893 707801718 /nfs/dbraw/zinc/80/17/18/707801718.db2.gz BCOIZAQWNVRSSG-YOEHRIQHSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001033417893 707801720 /nfs/dbraw/zinc/80/17/20/707801720.db2.gz BCOIZAQWNVRSSG-YOEHRIQHSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)C1 ZINC001033417893 707801722 /nfs/dbraw/zinc/80/17/22/707801722.db2.gz BCOIZAQWNVRSSG-YOEHRIQHSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)C1 ZINC001033417893 707801723 /nfs/dbraw/zinc/80/17/23/707801723.db2.gz BCOIZAQWNVRSSG-YOEHRIQHSA-N 2 2 334.439 1.595 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC001032754438 707835241 /nfs/dbraw/zinc/83/52/41/707835241.db2.gz HOXYRCVPTXCBFN-IHRRRGAJSA-N 2 2 338.402 1.981 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC001032754438 707835244 /nfs/dbraw/zinc/83/52/44/707835244.db2.gz HOXYRCVPTXCBFN-IHRRRGAJSA-N 2 2 338.402 1.981 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)cn1 ZINC001033422039 707835880 /nfs/dbraw/zinc/83/58/80/707835880.db2.gz FBOAETHBIKKEIK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC001033422039 707835882 /nfs/dbraw/zinc/83/58/82/707835882.db2.gz FBOAETHBIKKEIK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001033422039 707835884 /nfs/dbraw/zinc/83/58/84/707835884.db2.gz FBOAETHBIKKEIK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001033422039 707835886 /nfs/dbraw/zinc/83/58/86/707835886.db2.gz FBOAETHBIKKEIK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cc[nH+]1 ZINC001060922399 707855214 /nfs/dbraw/zinc/85/52/14/707855214.db2.gz NBNFASUKWMIIMZ-CVEARBPZSA-N 2 2 331.464 1.918 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cc[nH+]1 ZINC001060922399 707855219 /nfs/dbraw/zinc/85/52/19/707855219.db2.gz NBNFASUKWMIIMZ-CVEARBPZSA-N 2 2 331.464 1.918 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccnn1C ZINC001004991829 707857037 /nfs/dbraw/zinc/85/70/37/707857037.db2.gz LVICDAOPMIZAOG-RHSMWYFYSA-N 2 2 344.463 1.554 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921718191 707899941 /nfs/dbraw/zinc/89/99/41/707899941.db2.gz XJFNSZJRXDFYGJ-UHFFFAOYSA-N 2 2 344.503 1.993 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033473653 707962174 /nfs/dbraw/zinc/96/21/74/707962174.db2.gz NAUGHXJVPVDJLO-SFHVURJKSA-N 2 2 349.519 1.964 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033473653 707962175 /nfs/dbraw/zinc/96/21/75/707962175.db2.gz NAUGHXJVPVDJLO-SFHVURJKSA-N 2 2 349.519 1.964 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783570 707976993 /nfs/dbraw/zinc/97/69/93/707976993.db2.gz HGAOVLCDYHUSMM-GJZGRUSLSA-N 2 2 334.489 1.641 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783570 707976995 /nfs/dbraw/zinc/97/69/95/707976995.db2.gz HGAOVLCDYHUSMM-GJZGRUSLSA-N 2 2 334.489 1.641 20 0 EDADLP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001000333929 707985929 /nfs/dbraw/zinc/98/59/29/707985929.db2.gz FBLFRXKNRMNASR-CABCVRRESA-N 2 2 345.451 1.226 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2)C1 ZINC001032792578 708045731 /nfs/dbraw/zinc/04/57/31/708045731.db2.gz FRXBPFXFGSHFGV-FHWLQOOXSA-N 2 2 343.471 1.235 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2)C1 ZINC001032792578 708045734 /nfs/dbraw/zinc/04/57/34/708045734.db2.gz FRXBPFXFGSHFGV-FHWLQOOXSA-N 2 2 343.471 1.235 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccccc2)C1 ZINC001032792578 708045736 /nfs/dbraw/zinc/04/57/36/708045736.db2.gz FRXBPFXFGSHFGV-FHWLQOOXSA-N 2 2 343.471 1.235 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccccc2)C1 ZINC001032792578 708045739 /nfs/dbraw/zinc/04/57/39/708045739.db2.gz FRXBPFXFGSHFGV-FHWLQOOXSA-N 2 2 343.471 1.235 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)s1 ZINC001033586548 708277269 /nfs/dbraw/zinc/27/72/69/708277269.db2.gz AEKFNTIJEQBSFJ-CYBMUJFWSA-N 2 2 333.461 1.460 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)s1 ZINC001033586548 708277271 /nfs/dbraw/zinc/27/72/71/708277271.db2.gz AEKFNTIJEQBSFJ-CYBMUJFWSA-N 2 2 333.461 1.460 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033593375 708292879 /nfs/dbraw/zinc/29/28/79/708292879.db2.gz LUNWSVZYHSTEPP-OAHLLOKOSA-N 2 2 348.878 1.864 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033593375 708292882 /nfs/dbraw/zinc/29/28/82/708292882.db2.gz LUNWSVZYHSTEPP-OAHLLOKOSA-N 2 2 348.878 1.864 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033669232 708458487 /nfs/dbraw/zinc/45/84/87/708458487.db2.gz PJHHCGUXTYASSD-KRWDZBQOSA-N 2 2 342.447 1.067 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033669232 708458490 /nfs/dbraw/zinc/45/84/90/708458490.db2.gz PJHHCGUXTYASSD-KRWDZBQOSA-N 2 2 342.447 1.067 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033669893 708459958 /nfs/dbraw/zinc/45/99/58/708459958.db2.gz RWLOFWDQXWVDFJ-OAHLLOKOSA-N 2 2 345.447 1.783 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033669893 708459960 /nfs/dbraw/zinc/45/99/60/708459960.db2.gz RWLOFWDQXWVDFJ-OAHLLOKOSA-N 2 2 345.447 1.783 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033690438 708520450 /nfs/dbraw/zinc/52/04/50/708520450.db2.gz RYXCYQSLGLOMMU-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033690438 708520451 /nfs/dbraw/zinc/52/04/51/708520451.db2.gz RYXCYQSLGLOMMU-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033690438 708520454 /nfs/dbraw/zinc/52/04/54/708520454.db2.gz RYXCYQSLGLOMMU-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033690438 708520456 /nfs/dbraw/zinc/52/04/56/708520456.db2.gz RYXCYQSLGLOMMU-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033701419 708527672 /nfs/dbraw/zinc/52/76/72/708527672.db2.gz DEJGNJSZTDMKSM-IAGOWNOFSA-N 2 2 334.464 1.357 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033701419 708527674 /nfs/dbraw/zinc/52/76/74/708527674.db2.gz DEJGNJSZTDMKSM-IAGOWNOFSA-N 2 2 334.464 1.357 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033702435 708530204 /nfs/dbraw/zinc/53/02/04/708530204.db2.gz NRVTYUTZTJWPJS-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033702435 708530207 /nfs/dbraw/zinc/53/02/07/708530207.db2.gz NRVTYUTZTJWPJS-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP CC(C)c1noc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002119563 708632916 /nfs/dbraw/zinc/63/29/16/708632916.db2.gz BLEOUMRUOZPPGN-OAHLLOKOSA-N 2 2 349.479 1.473 20 0 EDADLP CC(C)c1noc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002119563 708632917 /nfs/dbraw/zinc/63/29/17/708632917.db2.gz BLEOUMRUOZPPGN-OAHLLOKOSA-N 2 2 349.479 1.473 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001033781750 708688842 /nfs/dbraw/zinc/68/88/42/708688842.db2.gz WTRFGMQGRJEPIE-OALUTQOASA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001033781750 708688843 /nfs/dbraw/zinc/68/88/43/708688843.db2.gz WTRFGMQGRJEPIE-OALUTQOASA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001033781750 708688844 /nfs/dbraw/zinc/68/88/44/708688844.db2.gz WTRFGMQGRJEPIE-OALUTQOASA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001033781750 708688845 /nfs/dbraw/zinc/68/88/45/708688845.db2.gz WTRFGMQGRJEPIE-OALUTQOASA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033789406 708699854 /nfs/dbraw/zinc/69/98/54/708699854.db2.gz NXWAASOTXKICTK-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033789406 708699855 /nfs/dbraw/zinc/69/98/55/708699855.db2.gz NXWAASOTXKICTK-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033789406 708699857 /nfs/dbraw/zinc/69/98/57/708699857.db2.gz NXWAASOTXKICTK-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033789406 708699860 /nfs/dbraw/zinc/69/98/60/708699860.db2.gz NXWAASOTXKICTK-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001033790916 708715606 /nfs/dbraw/zinc/71/56/06/708715606.db2.gz ZWMQKYVQVXKXLS-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001033790916 708715609 /nfs/dbraw/zinc/71/56/09/708715609.db2.gz ZWMQKYVQVXKXLS-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cnccc2C)C1 ZINC001033790916 708715613 /nfs/dbraw/zinc/71/56/13/708715613.db2.gz ZWMQKYVQVXKXLS-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cnccc2C)C1 ZINC001033790916 708715615 /nfs/dbraw/zinc/71/56/15/708715615.db2.gz ZWMQKYVQVXKXLS-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005382812 708817120 /nfs/dbraw/zinc/81/71/20/708817120.db2.gz AXSBLVPRURWEDQ-QGZVFWFLSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005382812 708817121 /nfs/dbraw/zinc/81/71/21/708817121.db2.gz AXSBLVPRURWEDQ-QGZVFWFLSA-N 2 2 347.507 1.716 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1 ZINC001005407123 708937239 /nfs/dbraw/zinc/93/72/39/708937239.db2.gz MFJMSHRTYVUKIB-NVXWUHKLSA-N 2 2 345.491 1.548 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nc1 ZINC001005407123 708937242 /nfs/dbraw/zinc/93/72/42/708937242.db2.gz MFJMSHRTYVUKIB-NVXWUHKLSA-N 2 2 345.491 1.548 20 0 EDADLP CCc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061705624 708972164 /nfs/dbraw/zinc/97/21/64/708972164.db2.gz HQVXIQKFIKUWGH-RDJZCZTQSA-N 2 2 345.491 1.774 20 0 EDADLP CCc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061705624 708972166 /nfs/dbraw/zinc/97/21/66/708972166.db2.gz HQVXIQKFIKUWGH-RDJZCZTQSA-N 2 2 345.491 1.774 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(OC)c3)C2)C1 ZINC001016307036 708975685 /nfs/dbraw/zinc/97/56/85/708975685.db2.gz RXBKWIVIHZUGJY-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(OC)c3)C2)C1 ZINC001016307036 708975688 /nfs/dbraw/zinc/97/56/88/708975688.db2.gz RXBKWIVIHZUGJY-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(OC)c3)C2)C1 ZINC001016307036 708975691 /nfs/dbraw/zinc/97/56/91/708975691.db2.gz RXBKWIVIHZUGJY-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(OC)c3)C2)C1 ZINC001016307036 708975694 /nfs/dbraw/zinc/97/56/94/708975694.db2.gz RXBKWIVIHZUGJY-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001034039743 709272602 /nfs/dbraw/zinc/27/26/02/709272602.db2.gz LMELZKAGXWRQIH-FUHWJXTLSA-N 2 2 347.507 1.839 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001034039743 709272605 /nfs/dbraw/zinc/27/26/05/709272605.db2.gz LMELZKAGXWRQIH-FUHWJXTLSA-N 2 2 347.507 1.839 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccn(C(C)C)n2)C1 ZINC001034039743 709272607 /nfs/dbraw/zinc/27/26/07/709272607.db2.gz LMELZKAGXWRQIH-FUHWJXTLSA-N 2 2 347.507 1.839 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccn(C(C)C)n2)C1 ZINC001034039743 709272609 /nfs/dbraw/zinc/27/26/09/709272609.db2.gz LMELZKAGXWRQIH-FUHWJXTLSA-N 2 2 347.507 1.839 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001034039788 709273092 /nfs/dbraw/zinc/27/30/92/709273092.db2.gz LVQNHCITBWCELO-QAPCUYQASA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001034039788 709273095 /nfs/dbraw/zinc/27/30/95/709273095.db2.gz LVQNHCITBWCELO-QAPCUYQASA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001034039788 709273097 /nfs/dbraw/zinc/27/30/97/709273097.db2.gz LVQNHCITBWCELO-QAPCUYQASA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001034039788 709273100 /nfs/dbraw/zinc/27/31/00/709273100.db2.gz LVQNHCITBWCELO-QAPCUYQASA-N 2 2 345.491 1.204 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001002803234 709405806 /nfs/dbraw/zinc/40/58/06/709405806.db2.gz SGHPWIAAVLGBNL-RDJZCZTQSA-N 2 2 343.475 1.432 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001002803234 709405807 /nfs/dbraw/zinc/40/58/07/709405807.db2.gz SGHPWIAAVLGBNL-RDJZCZTQSA-N 2 2 343.475 1.432 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002803232 709405853 /nfs/dbraw/zinc/40/58/53/709405853.db2.gz SGHPWIAAVLGBNL-DOTOQJQBSA-N 2 2 343.475 1.432 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002803232 709405854 /nfs/dbraw/zinc/40/58/54/709405854.db2.gz SGHPWIAAVLGBNL-DOTOQJQBSA-N 2 2 343.475 1.432 20 0 EDADLP COc1nccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034136602 709407995 /nfs/dbraw/zinc/40/79/95/709407995.db2.gz LBBRKWWVKKVJPQ-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034136602 709407997 /nfs/dbraw/zinc/40/79/97/709407997.db2.gz LBBRKWWVKKVJPQ-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001034136602 709408000 /nfs/dbraw/zinc/40/80/00/709408000.db2.gz LBBRKWWVKKVJPQ-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001034136602 709408003 /nfs/dbraw/zinc/40/80/03/709408003.db2.gz LBBRKWWVKKVJPQ-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001034148676 709420314 /nfs/dbraw/zinc/42/03/14/709420314.db2.gz NEXUTSZFYCPFPF-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001034148676 709420316 /nfs/dbraw/zinc/42/03/16/709420316.db2.gz NEXUTSZFYCPFPF-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001034148676 709420318 /nfs/dbraw/zinc/42/03/18/709420318.db2.gz NEXUTSZFYCPFPF-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001034148676 709420320 /nfs/dbraw/zinc/42/03/20/709420320.db2.gz NEXUTSZFYCPFPF-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)nc1 ZINC001002830684 709441853 /nfs/dbraw/zinc/44/18/53/709441853.db2.gz BQOUCGYHKARWNA-QGZVFWFLSA-N 2 2 343.475 1.207 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@@H+]1C ZINC001034215677 709570035 /nfs/dbraw/zinc/57/00/35/709570035.db2.gz BZZSULUHHXTEHX-IXDOHACOSA-N 2 2 345.491 1.678 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@H+]1C ZINC001034215677 709570038 /nfs/dbraw/zinc/57/00/38/709570038.db2.gz BZZSULUHHXTEHX-IXDOHACOSA-N 2 2 345.491 1.678 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034215677 709570040 /nfs/dbraw/zinc/57/00/40/709570040.db2.gz BZZSULUHHXTEHX-IXDOHACOSA-N 2 2 345.491 1.678 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034215677 709570044 /nfs/dbraw/zinc/57/00/44/709570044.db2.gz BZZSULUHHXTEHX-IXDOHACOSA-N 2 2 345.491 1.678 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218630 709575594 /nfs/dbraw/zinc/57/55/94/709575594.db2.gz IFSPBKSXEBUUDF-JKSUJKDBSA-N 2 2 348.491 1.768 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218630 709575595 /nfs/dbraw/zinc/57/55/95/709575595.db2.gz IFSPBKSXEBUUDF-JKSUJKDBSA-N 2 2 348.491 1.768 20 0 EDADLP CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034397176 709937251 /nfs/dbraw/zinc/93/72/51/709937251.db2.gz HPXVRXFJSGXYKK-JKSUJKDBSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034397176 709937254 /nfs/dbraw/zinc/93/72/54/709937254.db2.gz HPXVRXFJSGXYKK-JKSUJKDBSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034397176 709937257 /nfs/dbraw/zinc/93/72/57/709937257.db2.gz HPXVRXFJSGXYKK-JKSUJKDBSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034397176 709937259 /nfs/dbraw/zinc/93/72/59/709937259.db2.gz HPXVRXFJSGXYKK-JKSUJKDBSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034397174 709937303 /nfs/dbraw/zinc/93/73/03/709937303.db2.gz HPXVRXFJSGXYKK-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034397174 709937307 /nfs/dbraw/zinc/93/73/07/709937307.db2.gz HPXVRXFJSGXYKK-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034397174 709937311 /nfs/dbraw/zinc/93/73/11/709937311.db2.gz HPXVRXFJSGXYKK-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034397174 709937313 /nfs/dbraw/zinc/93/73/13/709937313.db2.gz HPXVRXFJSGXYKK-HZPDHXFCSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001034398675 709940531 /nfs/dbraw/zinc/94/05/31/709940531.db2.gz PHXJOMDJJPOVDC-DLBZAZTESA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001034398675 709940534 /nfs/dbraw/zinc/94/05/34/709940534.db2.gz PHXJOMDJJPOVDC-DLBZAZTESA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001034398675 709940536 /nfs/dbraw/zinc/94/05/36/709940536.db2.gz PHXJOMDJJPOVDC-DLBZAZTESA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001034398675 709940539 /nfs/dbraw/zinc/94/05/39/709940539.db2.gz PHXJOMDJJPOVDC-DLBZAZTESA-N 2 2 347.507 1.858 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034399298 709941891 /nfs/dbraw/zinc/94/18/91/709941891.db2.gz SCFVPCKOQWJDRV-GOEBONIOSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034399298 709941892 /nfs/dbraw/zinc/94/18/92/709941892.db2.gz SCFVPCKOQWJDRV-GOEBONIOSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034399298 709941894 /nfs/dbraw/zinc/94/18/94/709941894.db2.gz SCFVPCKOQWJDRV-GOEBONIOSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034399298 709941895 /nfs/dbraw/zinc/94/18/95/709941895.db2.gz SCFVPCKOQWJDRV-GOEBONIOSA-N 2 2 334.464 1.796 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003167907 710080214 /nfs/dbraw/zinc/08/02/14/710080214.db2.gz PTXVNMFGXQXZTE-ZFWWWQNUSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003167907 710080219 /nfs/dbraw/zinc/08/02/19/710080219.db2.gz PTXVNMFGXQXZTE-ZFWWWQNUSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1nocc1C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003194520 710129407 /nfs/dbraw/zinc/12/94/07/710129407.db2.gz ULRFQLXMGIUAST-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1noc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034486382 710132922 /nfs/dbraw/zinc/13/29/22/710132922.db2.gz ADHFZVDYIHALOG-LSDHHAIUSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1noc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034486382 710132925 /nfs/dbraw/zinc/13/29/25/710132925.db2.gz ADHFZVDYIHALOG-LSDHHAIUSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1noc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034486382 710132927 /nfs/dbraw/zinc/13/29/27/710132927.db2.gz ADHFZVDYIHALOG-LSDHHAIUSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1noc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034486382 710132929 /nfs/dbraw/zinc/13/29/29/710132929.db2.gz ADHFZVDYIHALOG-LSDHHAIUSA-N 2 2 335.452 1.191 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC2CC[NH+](CCC(F)(F)F)CC2)no1 ZINC001003221193 710139443 /nfs/dbraw/zinc/13/94/43/710139443.db2.gz KXUMMSRUZTYFIF-UHFFFAOYSA-N 2 2 348.369 1.883 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CC[C@H]2CCOC2)C1 ZINC001034503554 710145636 /nfs/dbraw/zinc/14/56/36/710145636.db2.gz OZSWNGFECPVMNI-HOTGVXAUSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001034503554 710145637 /nfs/dbraw/zinc/14/56/37/710145637.db2.gz OZSWNGFECPVMNI-HOTGVXAUSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034526814 710179672 /nfs/dbraw/zinc/17/96/72/710179672.db2.gz AJJONCBRRLHMGW-MRXNPFEDSA-N 2 2 334.464 1.858 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034526814 710179673 /nfs/dbraw/zinc/17/96/73/710179673.db2.gz AJJONCBRRLHMGW-MRXNPFEDSA-N 2 2 334.464 1.858 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001034529525 710184401 /nfs/dbraw/zinc/18/44/01/710184401.db2.gz INPDNCUVGYTYTF-GDBMZVCRSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001034529525 710184403 /nfs/dbraw/zinc/18/44/03/710184403.db2.gz INPDNCUVGYTYTF-GDBMZVCRSA-N 2 2 342.447 1.713 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](C/C=C\Cl)C2)C1 ZINC001034534538 710206430 /nfs/dbraw/zinc/20/64/30/710206430.db2.gz MCDKKZDHPIPUPX-IORUMNFESA-N 2 2 329.872 1.430 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](C/C=C\Cl)C2)C1 ZINC001034534538 710206432 /nfs/dbraw/zinc/20/64/32/710206432.db2.gz MCDKKZDHPIPUPX-IORUMNFESA-N 2 2 329.872 1.430 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](C/C=C\Cl)C2)C1 ZINC001034534538 710206434 /nfs/dbraw/zinc/20/64/34/710206434.db2.gz MCDKKZDHPIPUPX-IORUMNFESA-N 2 2 329.872 1.430 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](C/C=C\Cl)C2)C1 ZINC001034534538 710206436 /nfs/dbraw/zinc/20/64/36/710206436.db2.gz MCDKKZDHPIPUPX-IORUMNFESA-N 2 2 329.872 1.430 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1)[NH+]1CCCCCC1 ZINC001003734912 710516979 /nfs/dbraw/zinc/51/69/79/710516979.db2.gz DIWXQDVSHIHNNW-MRXNPFEDSA-N 2 2 347.507 1.765 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001003796694 710571669 /nfs/dbraw/zinc/57/16/69/710571669.db2.gz CADHQGWIEWASMR-HNNXBMFYSA-N 2 2 344.459 1.801 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](C/C=C/Cl)CC2)O1 ZINC001005581289 710612916 /nfs/dbraw/zinc/61/29/16/710612916.db2.gz KTGYVYXJDYKMLW-YFOKADDASA-N 2 2 329.872 1.381 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](C/C=C/Cl)CC2)O1 ZINC001005581289 710612919 /nfs/dbraw/zinc/61/29/19/710612919.db2.gz KTGYVYXJDYKMLW-YFOKADDASA-N 2 2 329.872 1.381 20 0 EDADLP CCn1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC001005590565 710645324 /nfs/dbraw/zinc/64/53/24/710645324.db2.gz APMFQCQRXYEDHQ-QGZVFWFLSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)nn1 ZINC001005590565 710645329 /nfs/dbraw/zinc/64/53/29/710645329.db2.gz APMFQCQRXYEDHQ-QGZVFWFLSA-N 2 2 348.495 1.205 20 0 EDADLP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1)OC ZINC001005605500 710685722 /nfs/dbraw/zinc/68/57/22/710685722.db2.gz JMNGPIYCJYLJON-YJBOKZPZSA-N 2 2 348.491 1.793 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)CC1 ZINC001034744603 710960268 /nfs/dbraw/zinc/96/02/68/710960268.db2.gz YOBHGJHWHVCLKD-WKILWMFISA-N 2 2 334.464 1.786 20 0 EDADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001034776866 711054786 /nfs/dbraw/zinc/05/47/86/711054786.db2.gz JXDFAJNMJQIPPH-KKUMJFAQSA-N 2 2 343.431 1.279 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034778277 711079498 /nfs/dbraw/zinc/07/94/98/711079498.db2.gz QLJIQUPGNADYPK-BZUAXINKSA-N 2 2 334.464 1.406 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC001005712451 711099083 /nfs/dbraw/zinc/09/90/83/711099083.db2.gz FBXFOYOAHJEDJR-UHFFFAOYSA-N 2 2 344.463 1.356 20 0 EDADLP CC(C)c1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)no1 ZINC001034794690 711111610 /nfs/dbraw/zinc/11/16/10/711111610.db2.gz OXVYINBDOUXIEL-SHTZXODSSA-N 2 2 349.479 1.806 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003969791 711118353 /nfs/dbraw/zinc/11/83/53/711118353.db2.gz CEDQZXHEDGOQKQ-OCCSQVGLSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003969791 711118356 /nfs/dbraw/zinc/11/83/56/711118356.db2.gz CEDQZXHEDGOQKQ-OCCSQVGLSA-N 2 2 335.452 1.361 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)on1 ZINC001034920637 711378323 /nfs/dbraw/zinc/37/83/23/711378323.db2.gz PQYAXBXABNDOPT-GFCCVEGCSA-N 2 2 333.392 1.120 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)ccn1 ZINC001034924967 711389446 /nfs/dbraw/zinc/38/94/46/711389446.db2.gz YCHDEKVZIUWEPO-OAHLLOKOSA-N 2 2 343.431 1.527 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(C)o1 ZINC001034953651 711418773 /nfs/dbraw/zinc/41/87/73/711418773.db2.gz FOCSYWBZDKKRFT-CVEARBPZSA-N 2 2 334.464 1.938 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(C)o1 ZINC001034953651 711418775 /nfs/dbraw/zinc/41/87/75/711418775.db2.gz FOCSYWBZDKKRFT-CVEARBPZSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[NH2+]CC2CCOCC2)c[nH+]1 ZINC001034970029 711449211 /nfs/dbraw/zinc/44/92/11/711449211.db2.gz RXOAGHBPOZNCRH-QGZVFWFLSA-N 2 2 348.491 1.934 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147158 711558267 /nfs/dbraw/zinc/55/82/67/711558267.db2.gz DMFKHTAKECGHAM-CYBMUJFWSA-N 2 2 347.463 1.684 20 0 EDADLP COc1nscc1C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004148947 711562578 /nfs/dbraw/zinc/56/25/78/711562578.db2.gz YJQNJWZBLYIQDP-UHFFFAOYSA-N 2 2 338.477 1.328 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)C1 ZINC001004149200 711563449 /nfs/dbraw/zinc/56/34/49/711563449.db2.gz GARATFQNELQNPT-AWEZNQCLSA-N 2 2 346.475 1.586 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)C1 ZINC001004149200 711563450 /nfs/dbraw/zinc/56/34/50/711563450.db2.gz GARATFQNELQNPT-AWEZNQCLSA-N 2 2 346.475 1.586 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004468119 711842689 /nfs/dbraw/zinc/84/26/89/711842689.db2.gz GHCMLDZLVWAAAP-SJLPKXTDSA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004468119 711842691 /nfs/dbraw/zinc/84/26/91/711842691.db2.gz GHCMLDZLVWAAAP-SJLPKXTDSA-N 2 2 346.475 1.141 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004576802 712004487 /nfs/dbraw/zinc/00/44/87/712004487.db2.gz FSFJUDHZFXBDPN-YJBOKZPZSA-N 2 2 348.491 1.674 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004576802 712004489 /nfs/dbraw/zinc/00/44/89/712004489.db2.gz FSFJUDHZFXBDPN-YJBOKZPZSA-N 2 2 348.491 1.674 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004576802 712004491 /nfs/dbraw/zinc/00/44/91/712004491.db2.gz FSFJUDHZFXBDPN-YJBOKZPZSA-N 2 2 348.491 1.674 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004576802 712004492 /nfs/dbraw/zinc/00/44/92/712004492.db2.gz FSFJUDHZFXBDPN-YJBOKZPZSA-N 2 2 348.491 1.674 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946644827 712152979 /nfs/dbraw/zinc/15/29/79/712152979.db2.gz JVKAXFIKOQKRHA-ZACQAIPSSA-N 2 2 348.466 1.976 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946644827 712152981 /nfs/dbraw/zinc/15/29/81/712152981.db2.gz JVKAXFIKOQKRHA-ZACQAIPSSA-N 2 2 348.466 1.976 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCc4[nH+]ccn43)C2)o1 ZINC001033154309 712164802 /nfs/dbraw/zinc/16/48/02/712164802.db2.gz ZPSPACFFVPSLIU-GDBMZVCRSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCc4[nH+]ccn43)C2)o1 ZINC001033154309 712164806 /nfs/dbraw/zinc/16/48/06/712164806.db2.gz ZPSPACFFVPSLIU-GDBMZVCRSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247323 214051698 /nfs/dbraw/zinc/05/16/98/214051698.db2.gz KWZJKUGLSKPMMJ-LLVKDONJSA-N 2 2 326.238 1.977 20 0 EDADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247323 214051700 /nfs/dbraw/zinc/05/17/00/214051700.db2.gz KWZJKUGLSKPMMJ-LLVKDONJSA-N 2 2 326.238 1.977 20 0 EDADLP CN(C)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000050798739 214070736 /nfs/dbraw/zinc/07/07/36/214070736.db2.gz XFKAGKZFFCMFJH-UHFFFAOYSA-N 2 2 345.491 1.436 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CCCC2)no1 ZINC000261773360 282151059 /nfs/dbraw/zinc/15/10/59/282151059.db2.gz OPYRLAWDIILNIL-CHWSQXEVSA-N 2 2 335.452 1.392 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC000558512328 306238857 /nfs/dbraw/zinc/23/88/57/306238857.db2.gz VCMDXRGLMFRTTR-OAHLLOKOSA-N 2 2 342.443 1.877 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000373375707 282186433 /nfs/dbraw/zinc/18/64/33/282186433.db2.gz GDQFGPQHYNZYER-CVEARBPZSA-N 2 2 344.463 1.243 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000373375707 282186434 /nfs/dbraw/zinc/18/64/34/282186434.db2.gz GDQFGPQHYNZYER-CVEARBPZSA-N 2 2 344.463 1.243 20 0 EDADLP CC[NH+]1CCC(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000558681169 306243731 /nfs/dbraw/zinc/24/37/31/306243731.db2.gz FIZMAWWHNQEJAS-UHFFFAOYSA-N 2 2 345.487 1.981 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000362672610 282221711 /nfs/dbraw/zinc/22/17/11/282221711.db2.gz RNYUTIGLTXVISM-SQNIBIBYSA-N 2 2 337.508 1.819 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000362672610 282221712 /nfs/dbraw/zinc/22/17/12/282221712.db2.gz RNYUTIGLTXVISM-SQNIBIBYSA-N 2 2 337.508 1.819 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000359080596 282257559 /nfs/dbraw/zinc/25/75/59/282257559.db2.gz ZITZENIJYGWPPR-RCCFBDPRSA-N 2 2 337.508 1.866 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000359080596 282257560 /nfs/dbraw/zinc/25/75/60/282257560.db2.gz ZITZENIJYGWPPR-RCCFBDPRSA-N 2 2 337.508 1.866 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000559249230 306252078 /nfs/dbraw/zinc/25/20/78/306252078.db2.gz RXVCXVJSCWUTDP-YJBOKZPZSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000559249230 306252079 /nfs/dbraw/zinc/25/20/79/306252079.db2.gz RXVCXVJSCWUTDP-YJBOKZPZSA-N 2 2 340.427 1.651 20 0 EDADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000129450013 529771635 /nfs/dbraw/zinc/77/16/35/529771635.db2.gz LPELHMXZVCJNLL-HXUWFJFHSA-N 3 2 330.520 1.531 20 0 EDADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000129450013 529771637 /nfs/dbraw/zinc/77/16/37/529771637.db2.gz LPELHMXZVCJNLL-HXUWFJFHSA-N 3 2 330.520 1.531 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000559317540 306253744 /nfs/dbraw/zinc/25/37/44/306253744.db2.gz SGKITPXPMVJHRN-GOSISDBHSA-N 2 2 344.503 1.528 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000559317540 306253745 /nfs/dbraw/zinc/25/37/45/306253745.db2.gz SGKITPXPMVJHRN-GOSISDBHSA-N 2 2 344.503 1.528 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccnc(C4CC4)n3)CC2)CC1 ZINC000329243324 539422132 /nfs/dbraw/zinc/42/21/32/539422132.db2.gz OYLACOJWEJORQJ-UHFFFAOYSA-N 2 2 343.475 1.642 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000560677414 306277303 /nfs/dbraw/zinc/27/73/03/306277303.db2.gz WWXXPFZBNIFGEP-KRWDZBQOSA-N 2 2 328.416 1.558 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000560677414 306277304 /nfs/dbraw/zinc/27/73/04/306277304.db2.gz WWXXPFZBNIFGEP-KRWDZBQOSA-N 2 2 328.416 1.558 20 0 EDADLP COC[C@H]1C[NH+]([C@@H](C)CC[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298228 539589423 /nfs/dbraw/zinc/58/94/23/539589423.db2.gz VEUTZTJYOBBWTI-KFGODFMUSA-N 2 2 344.496 1.236 20 0 EDADLP COC[C@H]1C[NH+]([C@@H](C)CC[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298228 539589428 /nfs/dbraw/zinc/58/94/28/539589428.db2.gz VEUTZTJYOBBWTI-KFGODFMUSA-N 2 2 344.496 1.236 20 0 EDADLP COC[C@H]1C[N@H+]([C@@H](C)CC[NH+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298228 539589433 /nfs/dbraw/zinc/58/94/33/539589433.db2.gz VEUTZTJYOBBWTI-KFGODFMUSA-N 2 2 344.496 1.236 20 0 EDADLP COC[C@H]1C[N@@H+]([C@@H](C)CC[NH+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298228 539589438 /nfs/dbraw/zinc/58/94/38/539589438.db2.gz VEUTZTJYOBBWTI-KFGODFMUSA-N 2 2 344.496 1.236 20 0 EDADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ncc[nH]2)c1 ZINC000067671240 215176589 /nfs/dbraw/zinc/17/65/89/215176589.db2.gz DYQWGMXOJFQEAP-UHFFFAOYSA-N 2 2 343.431 1.360 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066706 539700396 /nfs/dbraw/zinc/70/03/96/539700396.db2.gz DMAYSUGEVZDANV-ROUUACIJSA-N 3 2 344.507 1.205 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066706 539700400 /nfs/dbraw/zinc/70/04/00/539700400.db2.gz DMAYSUGEVZDANV-ROUUACIJSA-N 3 2 344.507 1.205 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000342596398 539762448 /nfs/dbraw/zinc/76/24/48/539762448.db2.gz YWWLGCVXCPRUGQ-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000342596398 539762452 /nfs/dbraw/zinc/76/24/52/539762452.db2.gz YWWLGCVXCPRUGQ-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000342596398 539762456 /nfs/dbraw/zinc/76/24/56/539762456.db2.gz YWWLGCVXCPRUGQ-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000342596398 539762460 /nfs/dbraw/zinc/76/24/60/539762460.db2.gz YWWLGCVXCPRUGQ-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CCCCNC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104087801 219345944 /nfs/dbraw/zinc/34/59/44/219345944.db2.gz ABZVJZQXCMJANT-UHFFFAOYSA-N 2 2 346.519 1.652 20 0 EDADLP CCCCNC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087801 219345947 /nfs/dbraw/zinc/34/59/47/219345947.db2.gz ABZVJZQXCMJANT-UHFFFAOYSA-N 2 2 346.519 1.652 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417661114 290934159 /nfs/dbraw/zinc/93/41/59/290934159.db2.gz OQDKSQDHNRZSRW-SMDDNHRTSA-N 2 2 326.391 1.571 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000412692883 304027384 /nfs/dbraw/zinc/02/73/84/304027384.db2.gz DXQKIZSVNJGEGY-MSOLQXFVSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000412692883 304027387 /nfs/dbraw/zinc/02/73/87/304027387.db2.gz DXQKIZSVNJGEGY-MSOLQXFVSA-N 2 2 344.503 1.355 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2=O)c1 ZINC000181209641 234119118 /nfs/dbraw/zinc/11/91/18/234119118.db2.gz GQBQTXXEGPXMKH-HBUWYVDXSA-N 2 2 347.459 1.881 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)c1 ZINC000181209641 234119121 /nfs/dbraw/zinc/11/91/21/234119121.db2.gz GQBQTXXEGPXMKH-HBUWYVDXSA-N 2 2 347.459 1.881 20 0 EDADLP C[C@@]1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[NH2+]C1 ZINC000562789337 306308951 /nfs/dbraw/zinc/30/89/51/306308951.db2.gz UAGSMSZAQJVVIW-GOSISDBHSA-N 2 2 331.464 1.871 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000562809397 306310020 /nfs/dbraw/zinc/31/00/20/306310020.db2.gz SPBDXEBVSJHCHU-QGZVFWFLSA-N 3 2 339.528 1.029 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000562809397 306310021 /nfs/dbraw/zinc/31/00/21/306310021.db2.gz SPBDXEBVSJHCHU-QGZVFWFLSA-N 3 2 339.528 1.029 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H](C)[NH2+]C1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000563157632 306320761 /nfs/dbraw/zinc/32/07/61/306320761.db2.gz KRPWLWQMYJLULY-GDBMZVCRSA-N 3 2 345.491 1.514 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279871591 540069858 /nfs/dbraw/zinc/06/98/58/540069858.db2.gz TZTMHKJINVWJNS-UHFFFAOYSA-N 3 2 342.447 1.066 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279871591 540069863 /nfs/dbraw/zinc/06/98/63/540069863.db2.gz TZTMHKJINVWJNS-UHFFFAOYSA-N 3 2 342.447 1.066 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000290895611 540090937 /nfs/dbraw/zinc/09/09/37/540090937.db2.gz UOZYGAVLLWIAES-UHFFFAOYSA-N 2 2 331.420 1.360 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379653541 540160098 /nfs/dbraw/zinc/16/00/98/540160098.db2.gz GCNDAKUSZGQERT-PKOBYXMFSA-N 3 2 344.503 1.403 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379653541 540160101 /nfs/dbraw/zinc/16/01/01/540160101.db2.gz GCNDAKUSZGQERT-PKOBYXMFSA-N 3 2 344.503 1.403 20 0 EDADLP C[NH+](C)CCCOc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000193151535 540181800 /nfs/dbraw/zinc/18/18/00/540181800.db2.gz PBEDPKFFALKZNZ-UHFFFAOYSA-N 2 2 330.432 1.989 20 0 EDADLP C[NH+](C)CCCOc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000193151535 540181802 /nfs/dbraw/zinc/18/18/02/540181802.db2.gz PBEDPKFFALKZNZ-UHFFFAOYSA-N 2 2 330.432 1.989 20 0 EDADLP Cc1noc(C)c1CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000058969110 138161474 /nfs/dbraw/zinc/16/14/74/138161474.db2.gz JZTDVJQHWVPVSG-UHFFFAOYSA-N 2 2 336.480 1.708 20 0 EDADLP Cc1noc(C)c1CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000058969110 138161475 /nfs/dbraw/zinc/16/14/75/138161475.db2.gz JZTDVJQHWVPVSG-UHFFFAOYSA-N 2 2 336.480 1.708 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000563535610 306337867 /nfs/dbraw/zinc/33/78/67/306337867.db2.gz JGHHEGAPQRNHKD-QGZVFWFLSA-N 2 2 333.476 1.803 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000563535610 306337868 /nfs/dbraw/zinc/33/78/68/306337868.db2.gz JGHHEGAPQRNHKD-QGZVFWFLSA-N 2 2 333.476 1.803 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000073471025 138218094 /nfs/dbraw/zinc/21/80/94/138218094.db2.gz QLOIGHOIEWDMHG-QGZVFWFLSA-N 2 2 346.475 1.799 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000073471025 138218097 /nfs/dbraw/zinc/21/80/97/138218097.db2.gz QLOIGHOIEWDMHG-QGZVFWFLSA-N 2 2 346.475 1.799 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000093178571 138292265 /nfs/dbraw/zinc/29/22/65/138292265.db2.gz AQCHZQKUQXRWLB-GOSISDBHSA-N 2 2 330.476 1.361 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000093178571 138292266 /nfs/dbraw/zinc/29/22/66/138292266.db2.gz AQCHZQKUQXRWLB-GOSISDBHSA-N 2 2 330.476 1.361 20 0 EDADLP C[S@@](=O)C1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCC1 ZINC000563590014 306340334 /nfs/dbraw/zinc/34/03/34/306340334.db2.gz UBFIHEPTZBDFMK-XMMPIXPASA-N 2 2 342.428 1.924 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000115801455 138311355 /nfs/dbraw/zinc/31/13/55/138311355.db2.gz FIACYFPCXBSOMW-HNNXBMFYSA-N 2 2 333.480 1.745 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000115801455 138311356 /nfs/dbraw/zinc/31/13/56/138311356.db2.gz FIACYFPCXBSOMW-HNNXBMFYSA-N 2 2 333.480 1.745 20 0 EDADLP COC(=O)C1(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CCCCC1 ZINC000123896475 138322207 /nfs/dbraw/zinc/32/22/07/138322207.db2.gz KLVFHICRLPKJHL-CABCVRRESA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CCCCC1 ZINC000123896475 138322208 /nfs/dbraw/zinc/32/22/08/138322208.db2.gz KLVFHICRLPKJHL-CABCVRRESA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CCCCC1 ZINC000123896475 138322209 /nfs/dbraw/zinc/32/22/09/138322209.db2.gz KLVFHICRLPKJHL-CABCVRRESA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000123896475 138322210 /nfs/dbraw/zinc/32/22/10/138322210.db2.gz KLVFHICRLPKJHL-CABCVRRESA-N 2 2 339.480 1.393 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000347909029 283222052 /nfs/dbraw/zinc/22/20/52/283222052.db2.gz QJFUTKFMNOUQSE-KRWDZBQOSA-N 2 2 325.497 1.678 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000347909029 283222055 /nfs/dbraw/zinc/22/20/55/283222055.db2.gz QJFUTKFMNOUQSE-KRWDZBQOSA-N 2 2 325.497 1.678 20 0 EDADLP CCn1ncnc1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000563618428 306342289 /nfs/dbraw/zinc/34/22/89/306342289.db2.gz UDHUZUOEIKEQAB-CQSZACIVSA-N 2 2 328.420 1.415 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000360120514 283233426 /nfs/dbraw/zinc/23/34/26/283233426.db2.gz WTDXGNRFLBBTOY-DLBZAZTESA-N 2 2 342.528 1.859 20 0 EDADLP CCCN(CC[NH+]1CCCCCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000344029068 283257256 /nfs/dbraw/zinc/25/72/56/283257256.db2.gz NDIXZQZDGOFKDP-SFHVURJKSA-N 2 2 327.513 1.268 20 0 EDADLP COc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1F ZINC000187084232 236113713 /nfs/dbraw/zinc/11/37/13/236113713.db2.gz NMQULLSESNWXFG-UHFFFAOYSA-N 2 2 338.427 1.982 20 0 EDADLP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccn(C)n1 ZINC000459793299 299275367 /nfs/dbraw/zinc/27/53/67/299275367.db2.gz OSTYIIQZMLHLJU-YOEHRIQHSA-N 2 2 329.448 1.490 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000272769382 283353007 /nfs/dbraw/zinc/35/30/07/283353007.db2.gz SFNRYQYHLOCZFA-HZPDHXFCSA-N 2 2 335.423 1.969 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000272769382 283353008 /nfs/dbraw/zinc/35/30/08/283353008.db2.gz SFNRYQYHLOCZFA-HZPDHXFCSA-N 2 2 335.423 1.969 20 0 EDADLP COC1CCC(CC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564321743 306358334 /nfs/dbraw/zinc/35/83/34/306358334.db2.gz KVCKMVNEOXTKSW-IKKRTKPYSA-N 2 2 328.497 1.641 20 0 EDADLP COC1CCC(CC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564321743 306358335 /nfs/dbraw/zinc/35/83/35/306358335.db2.gz KVCKMVNEOXTKSW-IKKRTKPYSA-N 2 2 328.497 1.641 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000129712305 223083333 /nfs/dbraw/zinc/08/33/33/223083333.db2.gz QXTPRQNIPVFICC-OAHLLOKOSA-N 2 2 327.432 1.965 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000565775609 306391281 /nfs/dbraw/zinc/39/12/81/306391281.db2.gz FPDHRAFQDJALKE-FQEVSTJZSA-N 3 2 330.520 1.961 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000565775609 306391282 /nfs/dbraw/zinc/39/12/82/306391282.db2.gz FPDHRAFQDJALKE-FQEVSTJZSA-N 3 2 330.520 1.961 20 0 EDADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000565783542 306391731 /nfs/dbraw/zinc/39/17/31/306391731.db2.gz BIQPJEVLGSCWGL-ZDUSSCGKSA-N 2 2 325.840 1.471 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000414370479 304112551 /nfs/dbraw/zinc/11/25/51/304112551.db2.gz WHIOEBJSPPQTBC-UHFFFAOYSA-N 3 2 328.464 1.887 20 0 EDADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000414731430 304134106 /nfs/dbraw/zinc/13/41/06/304134106.db2.gz BUDNBIZCWKSARL-MJGOQNOKSA-N 2 2 344.503 1.783 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+](CCOC(C)C)CC3)ccn12 ZINC000566444371 306413330 /nfs/dbraw/zinc/41/33/30/306413330.db2.gz DZFGXIHCSAQUJR-UHFFFAOYSA-N 2 2 330.432 1.826 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H](C)[NH2+]C)ccc1O[C@H](C)C(=O)N(C)C ZINC000414998216 304149607 /nfs/dbraw/zinc/14/96/07/304149607.db2.gz ZCEAPSMCDQPKAM-UONOGXRCSA-N 2 2 337.464 1.638 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000353438264 296139583 /nfs/dbraw/zinc/13/95/83/296139583.db2.gz WTOPLSIVPWAIPR-ZWKOTPCHSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000353438264 296139585 /nfs/dbraw/zinc/13/95/85/296139585.db2.gz WTOPLSIVPWAIPR-ZWKOTPCHSA-N 2 2 335.492 1.717 20 0 EDADLP c1cnc(N2CC[NH+](CCCNc3cc[nH+]c(C4CC4)n3)CC2)nc1 ZINC000110127527 220018390 /nfs/dbraw/zinc/01/83/90/220018390.db2.gz JGLLCHMCNLSMDU-UHFFFAOYSA-N 2 2 339.447 1.768 20 0 EDADLP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)c2cccs2)CC1 ZINC000236652459 139027719 /nfs/dbraw/zinc/02/77/19/139027719.db2.gz SPSZWDOEBJGSLA-GJZGRUSLSA-N 2 2 337.489 1.626 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236631973 139027317 /nfs/dbraw/zinc/02/73/17/139027317.db2.gz QMXTXMAGKNEPEL-IEBWSBKVSA-N 2 2 333.476 1.724 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236825744 139032735 /nfs/dbraw/zinc/03/27/35/139032735.db2.gz LQOKVUODPYVRRH-MRXNPFEDSA-N 2 2 333.480 1.035 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[NH2+]1 ZINC000415160174 304168092 /nfs/dbraw/zinc/16/80/92/304168092.db2.gz SBMZMMPMZXMNPJ-AWEZNQCLSA-N 2 2 329.404 1.788 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000111229487 220118053 /nfs/dbraw/zinc/11/80/53/220118053.db2.gz KYKLOQQEGVUHAP-GOEBONIOSA-N 2 2 342.447 1.621 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000111229487 220118056 /nfs/dbraw/zinc/11/80/56/220118056.db2.gz KYKLOQQEGVUHAP-GOEBONIOSA-N 2 2 342.447 1.621 20 0 EDADLP C[C@@H](C(=O)N1CCC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237508740 139052819 /nfs/dbraw/zinc/05/28/19/139052819.db2.gz UBUSYVYOYIYWQS-HNNXBMFYSA-N 2 2 334.439 1.158 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NCC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000080322370 217297777 /nfs/dbraw/zinc/29/77/77/217297777.db2.gz FEGQROZQVPVNDX-NVXWUHKLSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1CC[NH2+]CC1 ZINC000237679788 139057876 /nfs/dbraw/zinc/05/78/76/139057876.db2.gz KVTFHWOASQHEQR-CQSZACIVSA-N 2 2 327.432 1.909 20 0 EDADLP Cn1cncc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000237939916 139064411 /nfs/dbraw/zinc/06/44/11/139064411.db2.gz XMEVLKLZQXOUMT-UHFFFAOYSA-N 2 2 330.432 1.421 20 0 EDADLP [NH3+]Cc1nc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cs1 ZINC000238031275 139067053 /nfs/dbraw/zinc/06/70/53/139067053.db2.gz SQHZPPFLJKMSHX-UHFFFAOYSA-N 2 2 338.477 1.367 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000245523871 139077880 /nfs/dbraw/zinc/07/78/80/139077880.db2.gz DMESSSYRCJBGFB-OWCLPIDISA-N 2 2 331.464 1.784 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000245523871 139077881 /nfs/dbraw/zinc/07/78/81/139077881.db2.gz DMESSSYRCJBGFB-OWCLPIDISA-N 2 2 331.464 1.784 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000245708172 139083939 /nfs/dbraw/zinc/08/39/39/139083939.db2.gz SGHTUAKVDJJEKT-SJLPKXTDSA-N 3 2 347.507 1.755 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000245708172 139083940 /nfs/dbraw/zinc/08/39/40/139083940.db2.gz SGHTUAKVDJJEKT-SJLPKXTDSA-N 3 2 347.507 1.755 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CCO1 ZINC000246042524 139092974 /nfs/dbraw/zinc/09/29/74/139092974.db2.gz YLXIMZXFAYFCMY-GDBMZVCRSA-N 2 2 347.463 1.152 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000246010394 139092273 /nfs/dbraw/zinc/09/22/73/139092273.db2.gz JIESKTKUILUSIV-SJLPKXTDSA-N 2 2 330.476 1.725 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000246010394 139092274 /nfs/dbraw/zinc/09/22/74/139092274.db2.gz JIESKTKUILUSIV-SJLPKXTDSA-N 2 2 330.476 1.725 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2=O)c1 ZINC000246338020 139104739 /nfs/dbraw/zinc/10/47/39/139104739.db2.gz GQBQTXXEGPXMKH-GLJUWKHASA-N 2 2 347.459 1.881 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)c1 ZINC000246338020 139104740 /nfs/dbraw/zinc/10/47/40/139104740.db2.gz GQBQTXXEGPXMKH-GLJUWKHASA-N 2 2 347.459 1.881 20 0 EDADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363944356 296247410 /nfs/dbraw/zinc/24/74/10/296247410.db2.gz ZNRULNGGZPMYGG-QGZVFWFLSA-N 2 2 326.400 1.419 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000247638154 139153245 /nfs/dbraw/zinc/15/32/45/139153245.db2.gz OHAWRVKRSCQYJE-CZUORRHYSA-N 2 2 341.415 1.504 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000247638154 139153246 /nfs/dbraw/zinc/15/32/46/139153246.db2.gz OHAWRVKRSCQYJE-CZUORRHYSA-N 2 2 341.415 1.504 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000091512099 218015842 /nfs/dbraw/zinc/01/58/42/218015842.db2.gz PITULDMPFJYDEH-IBGZPJMESA-N 2 2 346.519 1.461 20 0 EDADLP Cn1cc(Cl)cc1C[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000091931108 218090391 /nfs/dbraw/zinc/09/03/91/218090391.db2.gz LSHVDJSIDWKOAY-UHFFFAOYSA-N 2 2 348.882 1.852 20 0 EDADLP Cn1cc(Cl)cc1C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000091931108 218090394 /nfs/dbraw/zinc/09/03/94/218090394.db2.gz LSHVDJSIDWKOAY-UHFFFAOYSA-N 2 2 348.882 1.852 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000092615862 218154527 /nfs/dbraw/zinc/15/45/27/218154527.db2.gz XLRDXHNYXWYAKC-UHFFFAOYSA-N 2 2 343.393 1.994 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3C(=O)OC)C2)CC1 ZINC000093132612 218195365 /nfs/dbraw/zinc/19/53/65/218195365.db2.gz HUQPJASSHHNWFZ-QGZVFWFLSA-N 2 2 331.460 1.685 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3C(=O)OC)C2)CC1 ZINC000093132612 218195368 /nfs/dbraw/zinc/19/53/68/218195368.db2.gz HUQPJASSHHNWFZ-QGZVFWFLSA-N 2 2 331.460 1.685 20 0 EDADLP C[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249925748 139199905 /nfs/dbraw/zinc/19/99/05/139199905.db2.gz ZVNVEMRGRLTCEL-OWCLPIDISA-N 2 2 346.475 1.796 20 0 EDADLP C[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249925748 139199906 /nfs/dbraw/zinc/19/99/06/139199906.db2.gz ZVNVEMRGRLTCEL-OWCLPIDISA-N 2 2 346.475 1.796 20 0 EDADLP COCC(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411173508 250462937 /nfs/dbraw/zinc/46/29/37/250462937.db2.gz MZYYMIOMEXHYTE-UHFFFAOYSA-N 2 2 345.487 1.963 20 0 EDADLP COCC1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC000261629956 139212696 /nfs/dbraw/zinc/21/26/96/139212696.db2.gz AXTVNEKDZPGWAI-UHFFFAOYSA-N 2 2 342.443 1.677 20 0 EDADLP O=c1[nH]c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc2ccc(Cl)cc12 ZINC000261661845 139215378 /nfs/dbraw/zinc/21/53/78/139215378.db2.gz KSAYDWQXNFVKJE-CYBMUJFWSA-N 2 2 347.850 1.468 20 0 EDADLP O=c1[nH]c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc2ccc(Cl)cc12 ZINC000261661845 139215379 /nfs/dbraw/zinc/21/53/79/139215379.db2.gz KSAYDWQXNFVKJE-CYBMUJFWSA-N 2 2 347.850 1.468 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000261636753 139213363 /nfs/dbraw/zinc/21/33/63/139213363.db2.gz CZJWGGNUMZQXAM-LBPRGKRZSA-N 2 2 348.428 1.220 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000261677036 139216671 /nfs/dbraw/zinc/21/66/71/139216671.db2.gz GLNWHRFFNKQFAY-KFWWJZLASA-N 2 2 337.489 1.613 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000261697811 139218467 /nfs/dbraw/zinc/21/84/67/139218467.db2.gz LFTPSMNAIYHUCE-GOSISDBHSA-N 2 2 330.432 1.423 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000261697811 139218468 /nfs/dbraw/zinc/21/84/68/139218468.db2.gz LFTPSMNAIYHUCE-GOSISDBHSA-N 2 2 330.432 1.423 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261780708 139225374 /nfs/dbraw/zinc/22/53/74/139225374.db2.gz MZLKPLHTPOVSOF-IBGZPJMESA-N 2 2 333.476 1.899 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261780708 139225375 /nfs/dbraw/zinc/22/53/75/139225375.db2.gz MZLKPLHTPOVSOF-IBGZPJMESA-N 2 2 333.476 1.899 20 0 EDADLP C[NH+]1CCC(CNC(=O)CC[C@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000261836880 139230177 /nfs/dbraw/zinc/23/01/77/139230177.db2.gz NMYMQQNDBFFJCE-KRWDZBQOSA-N 3 2 336.524 1.443 20 0 EDADLP C([NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1([NH+]2CCCC2)CCOCC1 ZINC000261875887 139233269 /nfs/dbraw/zinc/23/32/69/139233269.db2.gz DRLNEBSAPFEUED-SQNIBIBYSA-N 3 2 337.508 1.378 20 0 EDADLP FC(F)(F)Cn1cc[nH+]c1CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000261975111 139241052 /nfs/dbraw/zinc/24/10/52/139241052.db2.gz IPNAOSXWHLKQAV-CYBMUJFWSA-N 2 2 325.338 1.987 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000262070103 139248331 /nfs/dbraw/zinc/24/83/31/139248331.db2.gz SACIQKAQZFRGSR-CQSZACIVSA-N 3 2 347.488 1.753 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000262070103 139248332 /nfs/dbraw/zinc/24/83/32/139248332.db2.gz SACIQKAQZFRGSR-CQSZACIVSA-N 3 2 347.488 1.753 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000262171518 139257073 /nfs/dbraw/zinc/25/70/73/139257073.db2.gz VFZXVHMKZIMYOE-CWRNSKLLSA-N 2 2 340.851 1.568 20 0 EDADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000262178664 139257693 /nfs/dbraw/zinc/25/76/93/139257693.db2.gz BHWNTCIOTCOMIU-HOTGVXAUSA-N 2 2 341.402 1.534 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3c(c2)CCN3)CC1 ZINC000415846852 251033491 /nfs/dbraw/zinc/03/34/91/251033491.db2.gz ZTXXFCUCEOROAA-UHFFFAOYSA-N 2 2 331.464 1.802 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000416989274 251118801 /nfs/dbraw/zinc/11/88/01/251118801.db2.gz DFWGHKAXMDXZDT-NVXWUHKLSA-N 2 2 334.464 1.275 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416987936 251119358 /nfs/dbraw/zinc/11/93/58/251119358.db2.gz NESGDGIRVMPOAX-ILXRZTDVSA-N 2 2 349.479 1.492 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000416992781 251121102 /nfs/dbraw/zinc/12/11/02/251121102.db2.gz RSFXNSZGONRWQD-SFHVURJKSA-N 2 2 331.464 1.952 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1 ZINC000262316277 139269435 /nfs/dbraw/zinc/26/94/35/139269435.db2.gz QVYDPLIKRZUOBZ-XNJGSVPQSA-N 2 2 328.416 1.735 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)[NH+]2CCOCC2)c1 ZINC000416995073 251123641 /nfs/dbraw/zinc/12/36/41/251123641.db2.gz KKVLIYBBHDHUSI-ZWKOTPCHSA-N 2 2 346.475 1.405 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417271652 251151067 /nfs/dbraw/zinc/15/10/67/251151067.db2.gz SSXUPHRMMYEOGZ-CQSZACIVSA-N 2 2 335.358 1.669 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417269353 251151143 /nfs/dbraw/zinc/15/11/43/251151143.db2.gz LEMFIAPCRDKHBS-AWEZNQCLSA-N 2 2 331.395 1.905 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(F)F ZINC000417271042 251152195 /nfs/dbraw/zinc/15/21/95/251152195.db2.gz PMWXNFGEDZRWDY-GFCCVEGCSA-N 2 2 341.337 1.793 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000262347694 139272138 /nfs/dbraw/zinc/27/21/38/139272138.db2.gz IQMIYDQMGGVYHV-UXLLHSPISA-N 2 2 347.459 1.613 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C[C@H]2COCC[NH2+]2)C[C@H](C)O1 ZINC000262347694 139272139 /nfs/dbraw/zinc/27/21/39/139272139.db2.gz IQMIYDQMGGVYHV-UXLLHSPISA-N 2 2 347.459 1.613 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000417552043 251187325 /nfs/dbraw/zinc/18/73/25/251187325.db2.gz POSQLCFZRKLNDB-SJORKVTESA-N 2 2 334.464 1.440 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000417552043 251187329 /nfs/dbraw/zinc/18/73/29/251187329.db2.gz POSQLCFZRKLNDB-SJORKVTESA-N 2 2 334.464 1.440 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C1C[NH2+]C1 ZINC000262389789 139275474 /nfs/dbraw/zinc/27/54/74/139275474.db2.gz OBXHZPKRXPRXHT-TZMCWYRMSA-N 2 2 337.414 1.901 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C1C[NH2+]C1 ZINC000262389789 139275475 /nfs/dbraw/zinc/27/54/75/139275475.db2.gz OBXHZPKRXPRXHT-TZMCWYRMSA-N 2 2 337.414 1.901 20 0 EDADLP COC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000262391180 139275632 /nfs/dbraw/zinc/27/56/32/139275632.db2.gz YUIGJHBGEAFHKX-CABCVRRESA-N 2 2 325.840 1.567 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417709909 251237954 /nfs/dbraw/zinc/23/79/54/251237954.db2.gz WWERYFYIZFJRJG-KGLIPLIRSA-N 2 2 332.439 1.795 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417709909 251237957 /nfs/dbraw/zinc/23/79/57/251237957.db2.gz WWERYFYIZFJRJG-KGLIPLIRSA-N 2 2 332.439 1.795 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)[C@H](C)C[NH2+]1 ZINC000415578186 304230941 /nfs/dbraw/zinc/23/09/41/304230941.db2.gz ZPVCYNKEEIVUET-CHWSQXEVSA-N 2 2 341.415 1.234 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CC[C@H]([NH3+])C2)c2cccs2)CCO1 ZINC000417839462 251293949 /nfs/dbraw/zinc/29/39/49/251293949.db2.gz WOEVDZAXOIHUEO-HZSPNIEDSA-N 2 2 338.477 1.253 20 0 EDADLP C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CC[C@H]([NH3+])C2)c2cccs2)CCO1 ZINC000417839462 251293951 /nfs/dbraw/zinc/29/39/51/251293951.db2.gz WOEVDZAXOIHUEO-HZSPNIEDSA-N 2 2 338.477 1.253 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C)nn3C)CC2)CC1 ZINC000417798757 251275541 /nfs/dbraw/zinc/27/55/41/251275541.db2.gz URRTUKBTRUECCJ-UHFFFAOYSA-N 2 2 347.507 1.495 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417811063 251278380 /nfs/dbraw/zinc/27/83/80/251278380.db2.gz CTQITHNESDAYNH-AAVRWANBSA-N 2 2 340.493 1.545 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417811063 251278384 /nfs/dbraw/zinc/27/83/84/251278384.db2.gz CTQITHNESDAYNH-AAVRWANBSA-N 2 2 340.493 1.545 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000418425332 251367494 /nfs/dbraw/zinc/36/74/94/251367494.db2.gz HZXFSSRLIKPHOP-INIZCTEOSA-N 2 2 325.416 1.613 20 0 EDADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C[C@@H](C)C1 ZINC000418719816 251396839 /nfs/dbraw/zinc/39/68/39/251396839.db2.gz FQUFOUQSEUHJBQ-XGUBFFRZSA-N 2 2 344.450 1.603 20 0 EDADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C[C@@H](C)C1 ZINC000418719816 251396843 /nfs/dbraw/zinc/39/68/43/251396843.db2.gz FQUFOUQSEUHJBQ-XGUBFFRZSA-N 2 2 344.450 1.603 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418728537 251399714 /nfs/dbraw/zinc/39/97/14/251399714.db2.gz NHCUSMDTBSIXMF-LSDHHAIUSA-N 2 2 344.450 1.891 20 0 EDADLP [NH3+][C@H]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000418731148 251399789 /nfs/dbraw/zinc/39/97/89/251399789.db2.gz SVMRBLMOVCLDGV-RDJZCZTQSA-N 2 2 331.464 1.426 20 0 EDADLP O=C(C[NH2+]CC1CC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262634542 139291912 /nfs/dbraw/zinc/29/19/12/139291912.db2.gz HBRQBULFQXXLDY-UHFFFAOYSA-N 2 2 334.439 1.064 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2coc(C[NH3+])c2)c1 ZINC000262823713 139306000 /nfs/dbraw/zinc/30/60/00/139306000.db2.gz ZDBJPHWNUVMCJW-MRXNPFEDSA-N 2 2 342.399 1.440 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2coc(C[NH3+])c2)c1 ZINC000262823713 139306001 /nfs/dbraw/zinc/30/60/01/139306001.db2.gz ZDBJPHWNUVMCJW-MRXNPFEDSA-N 2 2 342.399 1.440 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000422874484 252007885 /nfs/dbraw/zinc/00/78/85/252007885.db2.gz DAYAEBBNXXRCOW-GDBMZVCRSA-N 2 2 349.475 1.830 20 0 EDADLP CCCNC(=O)c1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422889782 252011911 /nfs/dbraw/zinc/01/19/11/252011911.db2.gz GUIBHRQLPSRGJS-MSOLQXFVSA-N 2 2 331.460 1.683 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423066577 252032073 /nfs/dbraw/zinc/03/20/73/252032073.db2.gz XGRKRPPAUAQWEV-GUDVDZBRSA-N 2 2 345.487 1.780 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423066577 252032077 /nfs/dbraw/zinc/03/20/77/252032077.db2.gz XGRKRPPAUAQWEV-GUDVDZBRSA-N 2 2 345.487 1.780 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074706 252035166 /nfs/dbraw/zinc/03/51/66/252035166.db2.gz MQLBWVOIWXAUOY-BNOWGMLFSA-N 2 2 346.393 1.612 20 0 EDADLP COc1cc(OC)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1Cl ZINC000423481693 252055025 /nfs/dbraw/zinc/05/50/25/252055025.db2.gz QLKQNHGYTSCWHR-NEPJUHHUSA-N 2 2 327.856 1.911 20 0 EDADLP CC[N@H+](CC(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1Cl ZINC000423545692 252061374 /nfs/dbraw/zinc/06/13/74/252061374.db2.gz YIIOTWCSLORBLQ-AWEZNQCLSA-N 2 2 325.840 1.348 20 0 EDADLP CC[N@@H+](CC(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1Cl ZINC000423545692 252061379 /nfs/dbraw/zinc/06/13/79/252061379.db2.gz YIIOTWCSLORBLQ-AWEZNQCLSA-N 2 2 325.840 1.348 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)c1 ZINC000423794319 252077082 /nfs/dbraw/zinc/07/70/82/252077082.db2.gz DFKPTMDYCSWVCF-HNNXBMFYSA-N 2 2 347.459 1.074 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCC(=O)N(C)C3=O)sc2C1 ZINC000424201638 252159073 /nfs/dbraw/zinc/15/90/73/252159073.db2.gz HWBCCUYQBWSCIY-LBPRGKRZSA-N 2 2 336.461 1.147 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC(=O)N(C)C3=O)sc2C1 ZINC000424201638 252159079 /nfs/dbraw/zinc/15/90/79/252159079.db2.gz HWBCCUYQBWSCIY-LBPRGKRZSA-N 2 2 336.461 1.147 20 0 EDADLP Cn1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424128499 252134251 /nfs/dbraw/zinc/13/42/51/252134251.db2.gz FNMRPWQSNDOBSF-KBPBESRZSA-N 2 2 342.447 1.630 20 0 EDADLP O=C(CCCc1ccccc1)NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000424373506 252203452 /nfs/dbraw/zinc/20/34/52/252203452.db2.gz ICSVRQAOCGDJGX-AZUAARDMSA-N 2 2 345.487 1.482 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424388769 252206525 /nfs/dbraw/zinc/20/65/25/252206525.db2.gz ZNMRDAKWNQACQT-SJLPKXTDSA-N 2 2 333.476 1.482 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3cc(C)cc(C[NH3+])c3)C2)CC1 ZINC000424437808 252231225 /nfs/dbraw/zinc/23/12/25/252231225.db2.gz ORBMTKRMVIJEPG-SFHVURJKSA-N 2 2 345.491 1.697 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])c[nH+]2)CCO1 ZINC000263119804 139323413 /nfs/dbraw/zinc/32/34/13/139323413.db2.gz AVEOSTJUQDWGOY-SIXWZSSISA-N 2 2 346.475 1.831 20 0 EDADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000263183059 139327064 /nfs/dbraw/zinc/32/70/64/139327064.db2.gz GYBFXRHUFBHJPV-WMLDXEAASA-N 2 2 335.452 1.061 20 0 EDADLP C[NH+](C)C[C@@](C)(O)CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000153406913 224099121 /nfs/dbraw/zinc/09/91/21/224099121.db2.gz XYMWYWVGWYYNJE-YOCVDRLZSA-N 2 2 328.416 1.314 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000112466075 220332636 /nfs/dbraw/zinc/33/26/36/220332636.db2.gz TXKGIOQNULRVGG-KRWDZBQOSA-N 2 2 339.528 1.140 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000112466075 220332639 /nfs/dbraw/zinc/33/26/39/220332639.db2.gz TXKGIOQNULRVGG-KRWDZBQOSA-N 2 2 339.528 1.140 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000263698956 139353675 /nfs/dbraw/zinc/35/36/75/139353675.db2.gz AWCLCSYPDOHJQX-UHFFFAOYSA-N 2 2 349.479 1.448 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)/C=C\C[NH+](C)C)CCCC2)no1 ZINC000491870920 255153722 /nfs/dbraw/zinc/15/37/22/255153722.db2.gz PQLKPANCJGBBSC-KTKRTIGZSA-N 2 2 349.479 1.915 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000492324073 255170028 /nfs/dbraw/zinc/17/00/28/255170028.db2.gz XBCZSKMGQQBZJZ-WAYWQWQTSA-N 2 2 342.447 1.384 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000492324073 255170029 /nfs/dbraw/zinc/17/00/29/255170029.db2.gz XBCZSKMGQQBZJZ-WAYWQWQTSA-N 2 2 342.447 1.384 20 0 EDADLP COCC[NH+](CCOC)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493485402 255211309 /nfs/dbraw/zinc/21/13/09/255211309.db2.gz LYKPCKMHQYWOKU-ONEGZZNKSA-N 2 2 336.436 1.009 20 0 EDADLP CC[NH+]1CCN(c2ccc(CNC(=O)C=Cc3c[nH]c[nH+]3)cn2)CC1 ZINC000492904838 255187142 /nfs/dbraw/zinc/18/71/42/255187142.db2.gz XWNRXWDMDRQFRX-GQCTYLIASA-N 2 2 340.431 1.276 20 0 EDADLP CC[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000495211623 255273320 /nfs/dbraw/zinc/27/33/20/255273320.db2.gz NTQWSHKTHDBYRP-FQEVSTJZSA-N 2 2 345.487 1.486 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000494668711 255256941 /nfs/dbraw/zinc/25/69/41/255256941.db2.gz SKCJGPLYKZKUSL-SFHVURJKSA-N 2 2 348.491 1.658 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000494668711 255256942 /nfs/dbraw/zinc/25/69/42/255256942.db2.gz SKCJGPLYKZKUSL-SFHVURJKSA-N 2 2 348.491 1.658 20 0 EDADLP CN(C[C@H](O)C[NH2+]C[C@@]1([NH+](C)C)CCSC1)C(=O)OC(C)(C)C ZINC000496153049 255357820 /nfs/dbraw/zinc/35/78/20/255357820.db2.gz CZQJRFBZFRWHGF-CJNGLKHVSA-N 2 2 347.525 1.241 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496165969 255360084 /nfs/dbraw/zinc/36/00/84/255360084.db2.gz BKVKRRXIGBKBCG-AWEZNQCLSA-N 2 2 329.485 1.678 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496165969 255360085 /nfs/dbraw/zinc/36/00/85/255360085.db2.gz BKVKRRXIGBKBCG-AWEZNQCLSA-N 2 2 329.485 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496165969 255360086 /nfs/dbraw/zinc/36/00/86/255360086.db2.gz BKVKRRXIGBKBCG-AWEZNQCLSA-N 2 2 329.485 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496165969 255360087 /nfs/dbraw/zinc/36/00/87/255360087.db2.gz BKVKRRXIGBKBCG-AWEZNQCLSA-N 2 2 329.485 1.678 20 0 EDADLP C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000117791997 221089799 /nfs/dbraw/zinc/08/97/99/221089799.db2.gz TYKNTIOTRXCOEX-CABCVRRESA-N 2 2 328.416 1.711 20 0 EDADLP CC[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000119168266 221258554 /nfs/dbraw/zinc/25/85/54/221258554.db2.gz OBLCGVRDQRJNAN-UHFFFAOYSA-N 2 2 347.463 1.832 20 0 EDADLP O=S1(=O)CCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119526156 221340740 /nfs/dbraw/zinc/34/07/40/221340740.db2.gz HIPNPTFLKYXEGF-GFCCVEGCSA-N 2 2 344.400 1.200 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cnn(C)c3)n2c1 ZINC000275593460 257992090 /nfs/dbraw/zinc/99/20/90/257992090.db2.gz PVIPOTMALZGSRL-QAPCUYQASA-N 2 2 338.415 1.486 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)[NH+]1CCOCC1 ZINC000363484604 299607207 /nfs/dbraw/zinc/60/72/07/299607207.db2.gz BKZUQAHBFUDXHY-BBWFWOEESA-N 2 2 346.475 1.523 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1cccc(O)c1 ZINC000264301132 139395092 /nfs/dbraw/zinc/39/50/92/139395092.db2.gz OEGBKMXBERJLBK-UHFFFAOYSA-N 2 2 348.491 1.602 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1cccc(O)c1 ZINC000264301132 139395093 /nfs/dbraw/zinc/39/50/93/139395093.db2.gz OEGBKMXBERJLBK-UHFFFAOYSA-N 2 2 348.491 1.602 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)ccc2[nH+]1 ZINC000415844481 304280761 /nfs/dbraw/zinc/28/07/61/304280761.db2.gz JBCWENXYLIMICW-YPMHNXCESA-N 2 2 329.404 1.025 20 0 EDADLP CC(=O)Nc1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000571288075 306561472 /nfs/dbraw/zinc/56/14/72/306561472.db2.gz NKCKVQHOMCPEGC-HUUCEWRRSA-N 2 2 338.477 1.820 20 0 EDADLP C[N@@H+]1CCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000270888807 140190754 /nfs/dbraw/zinc/19/07/54/140190754.db2.gz GYEJQIIDPVSBRX-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP C[N@H+]1CCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000270888807 140190756 /nfs/dbraw/zinc/19/07/56/140190756.db2.gz GYEJQIIDPVSBRX-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000270888807 140190758 /nfs/dbraw/zinc/19/07/58/140190758.db2.gz GYEJQIIDPVSBRX-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000270888807 140190759 /nfs/dbraw/zinc/19/07/59/140190759.db2.gz GYEJQIIDPVSBRX-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000416297161 304305260 /nfs/dbraw/zinc/30/52/60/304305260.db2.gz PHTCHOLGYHLCEJ-IKGGRYGDSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000416297161 304305261 /nfs/dbraw/zinc/30/52/61/304305261.db2.gz PHTCHOLGYHLCEJ-IKGGRYGDSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000416297161 304305263 /nfs/dbraw/zinc/30/52/63/304305263.db2.gz PHTCHOLGYHLCEJ-IKGGRYGDSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000416297161 304305266 /nfs/dbraw/zinc/30/52/66/304305266.db2.gz PHTCHOLGYHLCEJ-IKGGRYGDSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416302070 304306263 /nfs/dbraw/zinc/30/62/63/304306263.db2.gz FVCLRXJXJGYGKD-LTIDMASMSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416302070 304306265 /nfs/dbraw/zinc/30/62/65/304306265.db2.gz FVCLRXJXJGYGKD-LTIDMASMSA-N 2 2 346.475 1.067 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCO[C@@H]21 ZINC000305756545 140651258 /nfs/dbraw/zinc/65/12/58/140651258.db2.gz AIMQYKGYEJKSAB-MANSERQUSA-N 2 2 330.472 1.809 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCO[C@@H]21 ZINC000305756545 140651259 /nfs/dbraw/zinc/65/12/59/140651259.db2.gz AIMQYKGYEJKSAB-MANSERQUSA-N 2 2 330.472 1.809 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000331573870 141050515 /nfs/dbraw/zinc/05/05/15/141050515.db2.gz KSVNECJTHTYHMB-HOCLYGCPSA-N 2 2 347.459 1.836 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000331573870 141050516 /nfs/dbraw/zinc/05/05/16/141050516.db2.gz KSVNECJTHTYHMB-HOCLYGCPSA-N 2 2 347.459 1.836 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000331573870 141050517 /nfs/dbraw/zinc/05/05/17/141050517.db2.gz KSVNECJTHTYHMB-HOCLYGCPSA-N 2 2 347.459 1.836 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000331573870 141050518 /nfs/dbraw/zinc/05/05/18/141050518.db2.gz KSVNECJTHTYHMB-HOCLYGCPSA-N 2 2 347.459 1.836 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@H]1C ZINC000331598910 141054291 /nfs/dbraw/zinc/05/42/91/141054291.db2.gz QJFCPAUMBYZKMT-GJZGRUSLSA-N 2 2 331.464 1.964 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc(C)[nH+]1 ZINC000332021272 141111825 /nfs/dbraw/zinc/11/18/25/141111825.db2.gz MCKLLNSVQDUWCI-WBVHZDCISA-N 2 2 344.459 1.400 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc(C)[nH+]1 ZINC000332021272 141111826 /nfs/dbraw/zinc/11/18/26/141111826.db2.gz MCKLLNSVQDUWCI-WBVHZDCISA-N 2 2 344.459 1.400 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332393547 141174297 /nfs/dbraw/zinc/17/42/97/141174297.db2.gz XREKYKQYFYWLOQ-CZUORRHYSA-N 2 2 332.448 1.529 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332393547 141174298 /nfs/dbraw/zinc/17/42/98/141174298.db2.gz XREKYKQYFYWLOQ-CZUORRHYSA-N 2 2 332.448 1.529 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000332434591 141181461 /nfs/dbraw/zinc/18/14/61/141181461.db2.gz AHYCIBBEGOVYBE-GDBMZVCRSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000332434591 141181462 /nfs/dbraw/zinc/18/14/62/141181462.db2.gz AHYCIBBEGOVYBE-GDBMZVCRSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000332523247 141195657 /nfs/dbraw/zinc/19/56/57/141195657.db2.gz AVWDIJPVTFGGOS-INMHGKMJSA-N 2 2 331.464 1.610 20 0 EDADLP c1[nH+]c(C2CC[NH+](Cc3nnc4n3CCOC4)CC2)n2c1CCCC2 ZINC000333196013 141279389 /nfs/dbraw/zinc/27/93/89/141279389.db2.gz XFKPIVVFWGDERV-UHFFFAOYSA-N 2 2 342.447 1.721 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333592287 141341940 /nfs/dbraw/zinc/34/19/40/141341940.db2.gz BCZSTVSMOWEFEG-MRXNPFEDSA-N 2 2 336.480 1.025 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)nc[nH+]2)C1 ZINC000333682180 141356411 /nfs/dbraw/zinc/35/64/11/141356411.db2.gz ABJVPXPWKUAXLC-HZMVEIRTSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)nc[nH+]2)C1 ZINC000333682180 141356413 /nfs/dbraw/zinc/35/64/13/141356413.db2.gz ABJVPXPWKUAXLC-HZMVEIRTSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)[nH+]cn2)C1 ZINC000333682180 141356416 /nfs/dbraw/zinc/35/64/16/141356416.db2.gz ABJVPXPWKUAXLC-HZMVEIRTSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)[nH+]cn2)C1 ZINC000333682180 141356418 /nfs/dbraw/zinc/35/64/18/141356418.db2.gz ABJVPXPWKUAXLC-HZMVEIRTSA-N 2 2 345.491 1.604 20 0 EDADLP COc1ccc([C@H](NC(=O)CC2(C[NH3+])CC2)c2[nH+]ccn2C)cc1 ZINC000572360234 306586643 /nfs/dbraw/zinc/58/66/43/306586643.db2.gz NJFOJQISFFGBLJ-INIZCTEOSA-N 2 2 328.416 1.763 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339342515 142022283 /nfs/dbraw/zinc/02/22/83/142022283.db2.gz HBWPPDDPDNMJGF-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339342515 142022285 /nfs/dbraw/zinc/02/22/85/142022285.db2.gz HBWPPDDPDNMJGF-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000344752067 143007371 /nfs/dbraw/zinc/00/73/71/143007371.db2.gz XZLCVDALHOWDHV-GVDBMIGSSA-N 2 2 333.501 1.765 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000344752067 143007372 /nfs/dbraw/zinc/00/73/72/143007372.db2.gz XZLCVDALHOWDHV-GVDBMIGSSA-N 2 2 333.501 1.765 20 0 EDADLP C[C@H](CO)[N@@H+]1CCCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000345042126 143042685 /nfs/dbraw/zinc/04/26/85/143042685.db2.gz XZWZNNLOJVJWLB-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H](CO)[N@H+]1CCCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000345042126 143042686 /nfs/dbraw/zinc/04/26/86/143042686.db2.gz XZWZNNLOJVJWLB-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000345047025 143043226 /nfs/dbraw/zinc/04/32/26/143043226.db2.gz QBEOYNHWAUGXPA-QZWWFDLISA-N 2 2 328.460 1.849 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000345047025 143043227 /nfs/dbraw/zinc/04/32/27/143043227.db2.gz QBEOYNHWAUGXPA-QZWWFDLISA-N 2 2 328.460 1.849 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@@H]1C ZINC000345091003 143049021 /nfs/dbraw/zinc/04/90/21/143049021.db2.gz MDDKRYKBEKQARF-IXDOHACOSA-N 2 2 346.475 1.333 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@@H]1C ZINC000345091003 143049022 /nfs/dbraw/zinc/04/90/22/143049022.db2.gz MDDKRYKBEKQARF-IXDOHACOSA-N 2 2 346.475 1.333 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)C[C@@H]1[NH+](C)C ZINC000346041669 143160748 /nfs/dbraw/zinc/16/07/48/143160748.db2.gz MNKZMDSFARXYPG-XUWVNRHRSA-N 2 2 348.516 1.658 20 0 EDADLP Cc1[nH+]ccn1CCN1CC[N@H+](CCn2cc[nH+]c2C)CC1(C)C ZINC000346271577 143185740 /nfs/dbraw/zinc/18/57/40/143185740.db2.gz FUHUTKOQJVGAHF-UHFFFAOYSA-N 3 2 330.480 1.793 20 0 EDADLP Cc1[nH+]ccn1CCN1CC[N@@H+](CCn2cc[nH+]c2C)CC1(C)C ZINC000346271577 143185741 /nfs/dbraw/zinc/18/57/41/143185741.db2.gz FUHUTKOQJVGAHF-UHFFFAOYSA-N 3 2 330.480 1.793 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000346315808 143190824 /nfs/dbraw/zinc/19/08/24/143190824.db2.gz IUHCRAXYPNAIOK-MDZRGWNJSA-N 2 2 328.460 1.708 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000346315808 143190825 /nfs/dbraw/zinc/19/08/25/143190825.db2.gz IUHCRAXYPNAIOK-MDZRGWNJSA-N 2 2 328.460 1.708 20 0 EDADLP CO[C@@H]1CC[N@H+](Cc2ccc(OCc3noc(C)n3)cc2)[C@H](C[NH3+])C1 ZINC000346835553 143250255 /nfs/dbraw/zinc/25/02/55/143250255.db2.gz TXXUGZRXBJZQST-DOTOQJQBSA-N 2 2 346.431 1.895 20 0 EDADLP CO[C@@H]1CC[N@@H+](Cc2ccc(OCc3noc(C)n3)cc2)[C@H](C[NH3+])C1 ZINC000346835553 143250256 /nfs/dbraw/zinc/25/02/56/143250256.db2.gz TXXUGZRXBJZQST-DOTOQJQBSA-N 2 2 346.431 1.895 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000347010620 143271158 /nfs/dbraw/zinc/27/11/58/143271158.db2.gz IUGHLZFMXAEEEB-PVAVHDDUSA-N 2 2 328.460 1.707 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347371627 143313784 /nfs/dbraw/zinc/31/37/84/143313784.db2.gz PCSOVBKRBFAQCQ-RTBURBONSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347371627 143313785 /nfs/dbraw/zinc/31/37/85/143313785.db2.gz PCSOVBKRBFAQCQ-RTBURBONSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000347665736 143347179 /nfs/dbraw/zinc/34/71/79/143347179.db2.gz IPQSAXZIHURSAQ-UHFFFAOYSA-N 2 2 337.423 1.953 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC000347751781 143358196 /nfs/dbraw/zinc/35/81/96/143358196.db2.gz JQEVISAQRBYJKO-MRXNPFEDSA-N 2 2 328.501 1.515 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1CCOC[C@H]1C)C(C)C ZINC000347751781 143358197 /nfs/dbraw/zinc/35/81/97/143358197.db2.gz JQEVISAQRBYJKO-MRXNPFEDSA-N 2 2 328.501 1.515 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC(F)(F)C[NH3+])c1ccccc1Cl ZINC000416859894 304352868 /nfs/dbraw/zinc/35/28/68/304352868.db2.gz UYCMDHBVUDXYOC-LBPRGKRZSA-N 2 2 334.798 1.836 20 0 EDADLP COc1c(O)cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000352631208 149094115 /nfs/dbraw/zinc/09/41/15/149094115.db2.gz VGGVWIDMAJMYLA-DOTOQJQBSA-N 2 2 333.476 1.859 20 0 EDADLP COc1c(O)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000352631208 149094116 /nfs/dbraw/zinc/09/41/16/149094116.db2.gz VGGVWIDMAJMYLA-DOTOQJQBSA-N 2 2 333.476 1.859 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC000369900644 155224166 /nfs/dbraw/zinc/22/41/66/155224166.db2.gz PIXSKMOUVMYGJC-ZACQAIPSSA-N 2 2 346.475 1.902 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)N2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC000369900644 155224169 /nfs/dbraw/zinc/22/41/69/155224169.db2.gz PIXSKMOUVMYGJC-ZACQAIPSSA-N 2 2 346.475 1.902 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000416897359 304354122 /nfs/dbraw/zinc/35/41/22/304354122.db2.gz XPARLVQEEQEXPV-OAHLLOKOSA-N 2 2 340.418 1.792 20 0 EDADLP CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000352871784 149197598 /nfs/dbraw/zinc/19/75/98/149197598.db2.gz PNBRWKNYLYKWRQ-KRWDZBQOSA-N 2 2 339.505 1.389 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000353042914 149264163 /nfs/dbraw/zinc/26/41/63/149264163.db2.gz PXYLRBHFMMHQSB-KRWDZBQOSA-N 2 2 339.528 1.140 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000416960001 304355429 /nfs/dbraw/zinc/35/54/29/304355429.db2.gz QLZVPOOFVFIQIJ-MRXNPFEDSA-N 2 2 327.432 1.607 20 0 EDADLP [NH3+]C1(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCC1 ZINC000416965350 304356739 /nfs/dbraw/zinc/35/67/39/304356739.db2.gz XLDRHVPWHLBBMH-UHFFFAOYSA-N 2 2 327.432 1.655 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000369942865 155244723 /nfs/dbraw/zinc/24/47/23/155244723.db2.gz HTNABSNUWNMIJB-KRWDZBQOSA-N 2 2 336.524 1.395 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000369942865 155244725 /nfs/dbraw/zinc/24/47/25/155244725.db2.gz HTNABSNUWNMIJB-KRWDZBQOSA-N 2 2 336.524 1.395 20 0 EDADLP C[NH2+]CCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416976890 304359292 /nfs/dbraw/zinc/35/92/92/304359292.db2.gz AIKTZBMIIUIMLU-OKILXGFUSA-N 2 2 335.452 1.104 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c[nH+]2)CC1 ZINC000416977410 304359767 /nfs/dbraw/zinc/35/97/67/304359767.db2.gz SWZHDWSUGBGXFF-MRXNPFEDSA-N 2 2 331.464 1.854 20 0 EDADLP CCCn1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354856182 149998283 /nfs/dbraw/zinc/99/82/83/149998283.db2.gz JCGGCCDFOKVCJX-HOTGVXAUSA-N 2 2 334.443 1.729 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NCC3([NH3+])CCC3)c[nH+]2)C[C@H](C)O1 ZINC000416981451 304360819 /nfs/dbraw/zinc/36/08/19/304360819.db2.gz HIDUIZUYDCZDNR-KBPBESRZSA-N 2 2 347.463 1.376 20 0 EDADLP C[C@H]1CN(C(=O)NCCOCC2CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355039435 150087367 /nfs/dbraw/zinc/08/73/67/150087367.db2.gz MWGSYFBYXQDMDN-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NCCOCC2CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355039435 150087368 /nfs/dbraw/zinc/08/73/68/150087368.db2.gz MWGSYFBYXQDMDN-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[NH2+]CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416981936 304361099 /nfs/dbraw/zinc/36/10/99/304361099.db2.gz HONSGKGQPPDOIO-GASCZTMLSA-N 2 2 349.479 1.494 20 0 EDADLP CC(=O)N1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000355413115 150258427 /nfs/dbraw/zinc/25/84/27/150258427.db2.gz CNYRJTDLALRELC-QGZVFWFLSA-N 2 2 330.476 1.894 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[C@H]1C ZINC000355585898 150325678 /nfs/dbraw/zinc/32/56/78/150325678.db2.gz ICQJZOJKXLHBCD-HZPDHXFCSA-N 2 2 346.475 1.469 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[C@H]1C ZINC000355585898 150325680 /nfs/dbraw/zinc/32/56/80/150325680.db2.gz ICQJZOJKXLHBCD-HZPDHXFCSA-N 2 2 346.475 1.469 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357637837 151095383 /nfs/dbraw/zinc/09/53/83/151095383.db2.gz QAROUKCESWIDNL-WMZOPIPTSA-N 2 2 336.476 1.512 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357637837 151095385 /nfs/dbraw/zinc/09/53/85/151095385.db2.gz QAROUKCESWIDNL-WMZOPIPTSA-N 2 2 336.476 1.512 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000357723176 151126816 /nfs/dbraw/zinc/12/68/16/151126816.db2.gz VFDORMGFOXZHGQ-GDBMZVCRSA-N 2 2 340.439 1.342 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000357723176 151126818 /nfs/dbraw/zinc/12/68/18/151126818.db2.gz VFDORMGFOXZHGQ-GDBMZVCRSA-N 2 2 340.439 1.342 20 0 EDADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000358017609 151236041 /nfs/dbraw/zinc/23/60/41/151236041.db2.gz HUTCQOZJKKIYSQ-XEZPLFJOSA-N 2 2 325.478 1.538 20 0 EDADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000358017609 151236043 /nfs/dbraw/zinc/23/60/43/151236043.db2.gz HUTCQOZJKKIYSQ-XEZPLFJOSA-N 2 2 325.478 1.538 20 0 EDADLP C[C@H]1CN(C(=O)c2cn(C)nc2C2CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000358084465 151264364 /nfs/dbraw/zinc/26/43/64/151264364.db2.gz WNMKJFRAZWLFHF-AWEZNQCLSA-N 2 2 345.491 1.538 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000358114077 151276372 /nfs/dbraw/zinc/27/63/72/151276372.db2.gz UBULPAWOMQIFCB-UHFFFAOYSA-N 2 2 349.479 1.026 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000358114077 151276375 /nfs/dbraw/zinc/27/63/75/151276375.db2.gz UBULPAWOMQIFCB-UHFFFAOYSA-N 2 2 349.479 1.026 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C1 ZINC000358344155 151344058 /nfs/dbraw/zinc/34/40/58/151344058.db2.gz VAQNJSLGUWZYCF-CHWSQXEVSA-N 2 2 331.507 1.298 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C1 ZINC000358344155 151344059 /nfs/dbraw/zinc/34/40/59/151344059.db2.gz VAQNJSLGUWZYCF-CHWSQXEVSA-N 2 2 331.507 1.298 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCCc1ccc(OC(F)F)cc1 ZINC000359277075 151667791 /nfs/dbraw/zinc/66/77/91/151667791.db2.gz MYLVVJAMROVIQF-KBPBESRZSA-N 2 2 339.386 1.098 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370116804 155331427 /nfs/dbraw/zinc/33/14/27/155331427.db2.gz LLCTYRHEMOCJRJ-INIZCTEOSA-N 2 2 342.447 1.751 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370116804 155331430 /nfs/dbraw/zinc/33/14/30/155331430.db2.gz LLCTYRHEMOCJRJ-INIZCTEOSA-N 2 2 342.447 1.751 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)C2=O)c1 ZINC000360549972 152091233 /nfs/dbraw/zinc/09/12/33/152091233.db2.gz HKJQXQUZAMZYMD-PKOBYXMFSA-N 2 2 345.443 1.495 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@]4(CC[NH2+]C4)C3)C2=O)c1 ZINC000360549972 152091235 /nfs/dbraw/zinc/09/12/35/152091235.db2.gz HKJQXQUZAMZYMD-PKOBYXMFSA-N 2 2 345.443 1.495 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000360574096 152103573 /nfs/dbraw/zinc/10/35/73/152103573.db2.gz WQVFSAGRZDEVCQ-MRXNPFEDSA-N 2 2 344.463 1.979 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360611136 152121720 /nfs/dbraw/zinc/12/17/20/152121720.db2.gz FUAUPFBCGMVUMP-ZBFHGGJFSA-N 2 2 348.422 1.529 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360611136 152121722 /nfs/dbraw/zinc/12/17/22/152121722.db2.gz FUAUPFBCGMVUMP-ZBFHGGJFSA-N 2 2 348.422 1.529 20 0 EDADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)CCn2cc[nH+]c2)cc1 ZINC000360618773 152124676 /nfs/dbraw/zinc/12/46/76/152124676.db2.gz KHHYRTFIVOFBSX-SJORKVTESA-N 2 2 328.416 1.544 20 0 EDADLP Cc1[nH+]c(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)c2n1CCCC2 ZINC000361026570 152282816 /nfs/dbraw/zinc/28/28/16/152282816.db2.gz BPPUTOLRNCBLAZ-CYBMUJFWSA-N 2 2 335.452 1.048 20 0 EDADLP Cc1[nH+]c(CNC(=O)NC[C@H](C)[NH+]2CCOCC2)c2n1CCCC2 ZINC000361026571 152283001 /nfs/dbraw/zinc/28/30/01/152283001.db2.gz BPPUTOLRNCBLAZ-ZDUSSCGKSA-N 2 2 335.452 1.048 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(CO)c3)C2)CC1 ZINC000361052503 152290752 /nfs/dbraw/zinc/29/07/52/152290752.db2.gz NMKWRIFBTMYPCM-KRWDZBQOSA-N 2 2 346.475 1.147 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(CO)c3)C2)CC1 ZINC000361052503 152290759 /nfs/dbraw/zinc/29/07/59/152290759.db2.gz NMKWRIFBTMYPCM-KRWDZBQOSA-N 2 2 346.475 1.147 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000361177140 152326932 /nfs/dbraw/zinc/32/69/32/152326932.db2.gz GWJUJKRAEMFIFN-OAHLLOKOSA-N 2 2 335.423 1.631 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NCC[NH+]2CCCOCC2)[C@@H](C)C1 ZINC000361337853 152365286 /nfs/dbraw/zinc/36/52/86/152365286.db2.gz YXJANIBNSBCOHO-ZWKOTPCHSA-N 2 2 327.513 1.435 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NCC[NH+]2CCCOCC2)[C@@H](C)C1 ZINC000361337853 152365288 /nfs/dbraw/zinc/36/52/88/152365288.db2.gz YXJANIBNSBCOHO-ZWKOTPCHSA-N 2 2 327.513 1.435 20 0 EDADLP CCOCCC[NH+]1CC[C@@H](NCC[N@@H+]2CCCOCC2)[C@@H](C)C1 ZINC000361337853 152365290 /nfs/dbraw/zinc/36/52/90/152365290.db2.gz YXJANIBNSBCOHO-ZWKOTPCHSA-N 2 2 327.513 1.435 20 0 EDADLP CCOCCC[NH+]1CC[C@@H](NCC[N@H+]2CCCOCC2)[C@@H](C)C1 ZINC000361337853 152365292 /nfs/dbraw/zinc/36/52/92/152365292.db2.gz YXJANIBNSBCOHO-ZWKOTPCHSA-N 2 2 327.513 1.435 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C ZINC000361350404 152368882 /nfs/dbraw/zinc/36/88/82/152368882.db2.gz FQPWGLUVIZTTSW-SJORKVTESA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C ZINC000361350404 152368884 /nfs/dbraw/zinc/36/88/84/152368884.db2.gz FQPWGLUVIZTTSW-SJORKVTESA-N 2 2 345.487 1.865 20 0 EDADLP COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000361364321 152372967 /nfs/dbraw/zinc/37/29/67/152372967.db2.gz KVIBXVGZWJSKAU-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000361364321 152372969 /nfs/dbraw/zinc/37/29/69/152372969.db2.gz KVIBXVGZWJSKAU-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)nn1 ZINC000364108064 153146423 /nfs/dbraw/zinc/14/64/23/153146423.db2.gz JEIIPJMFDRAFRW-AWEZNQCLSA-N 2 2 340.387 1.550 20 0 EDADLP COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)nn1 ZINC000364108064 153146427 /nfs/dbraw/zinc/14/64/27/153146427.db2.gz JEIIPJMFDRAFRW-AWEZNQCLSA-N 2 2 340.387 1.550 20 0 EDADLP CN(C)c1ccc(C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000364334484 153208930 /nfs/dbraw/zinc/20/89/30/153208930.db2.gz FVOGKJNLDBJPAJ-UHFFFAOYSA-N 2 2 344.503 1.706 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+]C2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000364346615 153212587 /nfs/dbraw/zinc/21/25/87/153212587.db2.gz ZRHCRSRWYZDABU-OAHLLOKOSA-N 2 2 348.472 1.075 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000364472375 153247286 /nfs/dbraw/zinc/24/72/86/153247286.db2.gz MATHJHDDFUDBDY-SFHVURJKSA-N 2 2 339.399 1.307 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000364472375 153247289 /nfs/dbraw/zinc/24/72/89/153247289.db2.gz MATHJHDDFUDBDY-SFHVURJKSA-N 2 2 339.399 1.307 20 0 EDADLP COc1cc[nH+]c(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1OC ZINC000364543272 153264093 /nfs/dbraw/zinc/26/40/93/153264093.db2.gz VFPUHJURTPYXKV-JLJPHGGASA-N 2 2 335.448 1.782 20 0 EDADLP COc1ccnc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1OC ZINC000364543272 153264096 /nfs/dbraw/zinc/26/40/96/153264096.db2.gz VFPUHJURTPYXKV-JLJPHGGASA-N 2 2 335.448 1.782 20 0 EDADLP COc1ccnc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1OC ZINC000364543272 153264097 /nfs/dbraw/zinc/26/40/97/153264097.db2.gz VFPUHJURTPYXKV-JLJPHGGASA-N 2 2 335.448 1.782 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)CCC2 ZINC000364733500 153317735 /nfs/dbraw/zinc/31/77/35/153317735.db2.gz KXTOJRTUVQIGJS-HNNXBMFYSA-N 2 2 335.452 1.090 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[N@H+]1CCCOCC1)CCC2 ZINC000364733500 153317738 /nfs/dbraw/zinc/31/77/38/153317738.db2.gz KXTOJRTUVQIGJS-HNNXBMFYSA-N 2 2 335.452 1.090 20 0 EDADLP CCC[C@@H](C)[C@H](CO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000574455928 306651085 /nfs/dbraw/zinc/65/10/85/306651085.db2.gz FSMCTGFLRWKMPJ-SJORKVTESA-N 2 2 348.491 1.507 20 0 EDADLP CS(=O)(=O)N1CC[C@@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000367274395 154063003 /nfs/dbraw/zinc/06/30/03/154063003.db2.gz MCDVLGQVKPEFOB-GJZGRUSLSA-N 2 2 338.477 1.097 20 0 EDADLP Cc1cccc(NC2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)[nH+]1 ZINC000367298062 154069695 /nfs/dbraw/zinc/06/96/95/154069695.db2.gz HNRPFNRMIRSXNV-UHFFFAOYSA-N 2 2 346.475 1.904 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c(C)c[nH+]1 ZINC000367303281 154072297 /nfs/dbraw/zinc/07/22/97/154072297.db2.gz QOLAPDJDBIXETF-HZPDHXFCSA-N 2 2 332.448 1.573 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c(C)c[nH+]1 ZINC000367303281 154072299 /nfs/dbraw/zinc/07/22/99/154072299.db2.gz QOLAPDJDBIXETF-HZPDHXFCSA-N 2 2 332.448 1.573 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000367428270 154117250 /nfs/dbraw/zinc/11/72/50/154117250.db2.gz GUYKEBGURJDWKC-INIZCTEOSA-N 2 2 327.432 1.981 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000367428270 154117257 /nfs/dbraw/zinc/11/72/57/154117257.db2.gz GUYKEBGURJDWKC-INIZCTEOSA-N 2 2 327.432 1.981 20 0 EDADLP COCCOc1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000367472981 154138328 /nfs/dbraw/zinc/13/83/28/154138328.db2.gz ZXCVDBLKEPHKNP-IBGZPJMESA-N 2 2 347.503 1.924 20 0 EDADLP COCCOc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000367472981 154138333 /nfs/dbraw/zinc/13/83/33/154138333.db2.gz ZXCVDBLKEPHKNP-IBGZPJMESA-N 2 2 347.503 1.924 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000369392469 155010595 /nfs/dbraw/zinc/01/05/95/155010595.db2.gz AKTYIVRWTKUQDD-BRWVUGGUSA-N 2 2 349.479 1.462 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000369392469 155010601 /nfs/dbraw/zinc/01/06/01/155010601.db2.gz AKTYIVRWTKUQDD-BRWVUGGUSA-N 2 2 349.479 1.462 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCC(=O)N2CCOCC2)[nH+]1 ZINC000369509906 155064807 /nfs/dbraw/zinc/06/48/07/155064807.db2.gz AFYLLDHXNMEZSC-INIZCTEOSA-N 2 2 332.448 1.515 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(=O)N2CCOCC2)[nH+]1 ZINC000369509906 155064810 /nfs/dbraw/zinc/06/48/10/155064810.db2.gz AFYLLDHXNMEZSC-INIZCTEOSA-N 2 2 332.448 1.515 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)[nH+]1 ZINC000369513156 155066207 /nfs/dbraw/zinc/06/62/07/155066207.db2.gz XAWCXRAZHGJFDV-AWEZNQCLSA-N 2 2 345.447 1.597 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCN2C(=O)NC(C)(C)C2=O)[nH+]1 ZINC000369513156 155066210 /nfs/dbraw/zinc/06/62/10/155066210.db2.gz XAWCXRAZHGJFDV-AWEZNQCLSA-N 2 2 345.447 1.597 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000369633597 155116698 /nfs/dbraw/zinc/11/66/98/155116698.db2.gz BOHDJKNPYGRXSB-DOTOQJQBSA-N 2 2 347.507 1.573 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000369633597 155116699 /nfs/dbraw/zinc/11/66/99/155116699.db2.gz BOHDJKNPYGRXSB-DOTOQJQBSA-N 2 2 347.507 1.573 20 0 EDADLP C[C@@H](CCO)C1(C[NH2+]C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000574812651 306657430 /nfs/dbraw/zinc/65/74/30/306657430.db2.gz GOLOHACFFNYRPI-YLFCFFPRSA-N 2 2 328.497 1.235 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000417396311 304396463 /nfs/dbraw/zinc/39/64/63/304396463.db2.gz SQPILXSUWGQJSH-ZDUSSCGKSA-N 2 2 332.439 1.795 20 0 EDADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CN(C3CC3)CCO2)CC1 ZINC000371606719 156027510 /nfs/dbraw/zinc/02/75/10/156027510.db2.gz LHFJGVFUMSKSEN-HNNXBMFYSA-N 2 2 335.414 1.856 20 0 EDADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000371662765 156050926 /nfs/dbraw/zinc/05/09/26/156050926.db2.gz BKAYXGFLGUHOSW-SOLBZPMBSA-N 2 2 333.476 1.899 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000371898975 156159747 /nfs/dbraw/zinc/15/97/47/156159747.db2.gz JWDMIAZESUDBOW-UHFFFAOYSA-N 2 2 342.447 1.229 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nnc3n2CCOC3)[nH+]1 ZINC000373901796 157056768 /nfs/dbraw/zinc/05/67/68/157056768.db2.gz DAWYTHFISOAODB-CQSZACIVSA-N 2 2 328.420 1.588 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nnc3n2CCOC3)[nH+]1 ZINC000373901796 157056771 /nfs/dbraw/zinc/05/67/71/157056771.db2.gz DAWYTHFISOAODB-CQSZACIVSA-N 2 2 328.420 1.588 20 0 EDADLP C[C@@H]1C[NH+](CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)C[C@@H](C)O1 ZINC000373981957 157093441 /nfs/dbraw/zinc/09/34/41/157093441.db2.gz UGOFSDMEDSGDHS-HZPDHXFCSA-N 2 2 334.464 1.621 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000374213480 157196735 /nfs/dbraw/zinc/19/67/35/157196735.db2.gz UQIANKIDVSSHTK-UHFFFAOYSA-N 3 2 333.480 1.578 20 0 EDADLP CC(C)Cc1noc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000374260922 157218424 /nfs/dbraw/zinc/21/84/24/157218424.db2.gz ZOJRUPNOQLXBGM-OAHLLOKOSA-N 2 2 335.496 1.868 20 0 EDADLP CC(C)Cc1noc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000374260922 157218427 /nfs/dbraw/zinc/21/84/27/157218427.db2.gz ZOJRUPNOQLXBGM-OAHLLOKOSA-N 2 2 335.496 1.868 20 0 EDADLP C[NH+]1CCC2(CCCN2C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000374301814 157231961 /nfs/dbraw/zinc/23/19/61/157231961.db2.gz LIWLRZLCAXOXFD-UHFFFAOYSA-N 2 2 325.416 1.968 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000374436642 157290953 /nfs/dbraw/zinc/29/09/53/157290953.db2.gz KRAQIHNMAOZNHP-IPQPSQTFSA-N 2 2 343.471 1.758 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000374436642 157290956 /nfs/dbraw/zinc/29/09/56/157290956.db2.gz KRAQIHNMAOZNHP-IPQPSQTFSA-N 2 2 343.471 1.758 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000378113566 158081357 /nfs/dbraw/zinc/08/13/57/158081357.db2.gz LJPWFNLVWOMHJZ-RHSMWYFYSA-N 2 2 342.447 1.525 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000378113570 158081857 /nfs/dbraw/zinc/08/18/57/158081857.db2.gz LJPWFNLVWOMHJZ-YOEHRIQHSA-N 2 2 342.447 1.525 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000378298310 158132171 /nfs/dbraw/zinc/13/21/71/158132171.db2.gz YEHDAYWVCNPMKU-GOEBONIOSA-N 2 2 349.479 1.410 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000378298310 158132173 /nfs/dbraw/zinc/13/21/73/158132173.db2.gz YEHDAYWVCNPMKU-GOEBONIOSA-N 2 2 349.479 1.410 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000378298310 158132174 /nfs/dbraw/zinc/13/21/74/158132174.db2.gz YEHDAYWVCNPMKU-GOEBONIOSA-N 2 2 349.479 1.410 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000378298310 158132175 /nfs/dbraw/zinc/13/21/75/158132175.db2.gz YEHDAYWVCNPMKU-GOEBONIOSA-N 2 2 349.479 1.410 20 0 EDADLP Cc1cccc(OC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000378376775 158158172 /nfs/dbraw/zinc/15/81/72/158158172.db2.gz ADNWBSJGNWOWSQ-UHFFFAOYSA-N 2 2 345.487 1.921 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)[NH+](C)C)cc1 ZINC000378381433 158159552 /nfs/dbraw/zinc/15/95/52/158159552.db2.gz YRJQHWGUFGNQMP-SFHVURJKSA-N 2 2 345.487 1.969 20 0 EDADLP CCCn1c(C)nnc1C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378423959 158169459 /nfs/dbraw/zinc/16/94/59/158169459.db2.gz CXXUCTPPNNHIOU-UHFFFAOYSA-N 2 2 335.496 1.931 20 0 EDADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000378512127 158195950 /nfs/dbraw/zinc/19/59/50/158195950.db2.gz ZBMRRFXPVCZFPO-GJZGRUSLSA-N 2 2 334.445 1.713 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H](C)O ZINC000352195788 162043101 /nfs/dbraw/zinc/04/31/01/162043101.db2.gz UHIHZRZTVVPEHC-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H](C)O ZINC000352195788 162043105 /nfs/dbraw/zinc/04/31/05/162043105.db2.gz UHIHZRZTVVPEHC-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000352217359 162056151 /nfs/dbraw/zinc/05/61/51/162056151.db2.gz OXHOYSDHIBFEAP-HNNXBMFYSA-N 2 2 348.466 1.545 20 0 EDADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000352495740 162212906 /nfs/dbraw/zinc/21/29/06/162212906.db2.gz OIYRBGWYLGOWPH-ROUUACIJSA-N 2 2 344.503 1.918 20 0 EDADLP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352518453 162227011 /nfs/dbraw/zinc/22/70/11/162227011.db2.gz ILIDFOBYUXGOHU-HKUYNNGSSA-N 2 2 344.503 1.022 20 0 EDADLP C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000185665239 286969696 /nfs/dbraw/zinc/96/96/96/286969696.db2.gz LDWZBSBQHIWQQX-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000075633702 287277985 /nfs/dbraw/zinc/27/79/85/287277985.db2.gz UKCYKVZALYDPCJ-QXAKKESOSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000075633702 287277986 /nfs/dbraw/zinc/27/79/86/287277986.db2.gz UKCYKVZALYDPCJ-QXAKKESOSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H]1C[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000075633702 287277987 /nfs/dbraw/zinc/27/79/87/287277987.db2.gz UKCYKVZALYDPCJ-QXAKKESOSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H]1C[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000075633702 287277988 /nfs/dbraw/zinc/27/79/88/287277988.db2.gz UKCYKVZALYDPCJ-QXAKKESOSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000079312215 287299673 /nfs/dbraw/zinc/29/96/73/287299673.db2.gz AUJOHLQBMULOKN-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000080660010 287308619 /nfs/dbraw/zinc/30/86/19/287308619.db2.gz ORJBBVOKCFBZRC-UHFFFAOYSA-N 2 2 342.528 1.905 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCOCC2)c1 ZINC000416995173 292580874 /nfs/dbraw/zinc/58/08/74/292580874.db2.gz LBYPNFGYPULFBR-WBVHZDCISA-N 2 2 334.464 1.357 20 0 EDADLP O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@@H]1C[NH2+]CCO1 ZINC000165830980 226136833 /nfs/dbraw/zinc/13/68/33/226136833.db2.gz UOJAHDIOELWALN-INIZCTEOSA-N 2 2 326.400 1.813 20 0 EDADLP CCn1c(C)nnc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171303874 227004738 /nfs/dbraw/zinc/00/47/38/227004738.db2.gz HLJYYEPKQOYVQG-HUUCEWRRSA-N 2 2 335.496 1.928 20 0 EDADLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1C ZINC000122271118 222050847 /nfs/dbraw/zinc/05/08/47/222050847.db2.gz POOKQRCGLZUREQ-UHFFFAOYSA-N 2 2 334.468 1.409 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC[NH+](C)CC1)CC2 ZINC000122295697 222055227 /nfs/dbraw/zinc/05/52/27/222055227.db2.gz VSGOAJJLFKXJLJ-UHFFFAOYSA-N 2 2 347.459 1.226 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC[NH+](C)CC1)CC2 ZINC000122295697 222055228 /nfs/dbraw/zinc/05/52/28/222055228.db2.gz VSGOAJJLFKXJLJ-UHFFFAOYSA-N 2 2 347.459 1.226 20 0 EDADLP COc1cc2c(cc1OC)C[NH+](CC(=O)N1CCC[N@H+](C)CC1)CC2 ZINC000122295697 222055231 /nfs/dbraw/zinc/05/52/31/222055231.db2.gz VSGOAJJLFKXJLJ-UHFFFAOYSA-N 2 2 347.459 1.226 20 0 EDADLP COc1cc2c(cc1OC)C[NH+](CC(=O)N1CCC[N@@H+](C)CC1)CC2 ZINC000122295697 222055232 /nfs/dbraw/zinc/05/52/32/222055232.db2.gz VSGOAJJLFKXJLJ-UHFFFAOYSA-N 2 2 347.459 1.226 20 0 EDADLP c1nc2n(n1)C[C@H]([NH2+]CC1(C[NH+]3CCOCC3)CCCCC1)CC2 ZINC000122338717 222065039 /nfs/dbraw/zinc/06/50/39/222065039.db2.gz ARQXZNCCYMQYML-MRXNPFEDSA-N 2 2 333.480 1.465 20 0 EDADLP CC[C@@H](CCO)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000123075650 222210247 /nfs/dbraw/zinc/21/02/47/222210247.db2.gz OMTUQPHJSYJLMX-HNNXBMFYSA-N 2 2 340.512 1.253 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000130346247 287491012 /nfs/dbraw/zinc/49/10/12/287491012.db2.gz ALLYOTLXKMSSLA-QGZVFWFLSA-N 2 2 331.460 1.729 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000130513116 287493946 /nfs/dbraw/zinc/49/39/46/287493946.db2.gz YYHPUXJUYVCDOI-SJLPKXTDSA-N 2 2 331.460 1.484 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000418448006 304496063 /nfs/dbraw/zinc/49/60/63/304496063.db2.gz IYCHSSQPLSMXDH-QZTJIDSGSA-N 2 2 346.475 1.583 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000247227014 273015960 /nfs/dbraw/zinc/01/59/60/273015960.db2.gz CZZJGSOEJJCUBS-RDJZCZTQSA-N 2 2 333.480 1.579 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000247227014 273015962 /nfs/dbraw/zinc/01/59/62/273015962.db2.gz CZZJGSOEJJCUBS-RDJZCZTQSA-N 2 2 333.480 1.579 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(N)=O)CC1 ZINC000273505547 268055131 /nfs/dbraw/zinc/05/51/31/268055131.db2.gz ZTIAULKHSLGRFR-GOSISDBHSA-N 2 2 333.476 1.562 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274812725 268212242 /nfs/dbraw/zinc/21/22/42/268212242.db2.gz QONMHBINJCEMSU-UHFFFAOYSA-N 2 2 327.432 1.669 20 0 EDADLP C[C@@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000274843892 268220684 /nfs/dbraw/zinc/22/06/84/268220684.db2.gz WEKFYMZVABQIOQ-GJZGRUSLSA-N 2 2 346.479 1.287 20 0 EDADLP C[C@@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[N@H+]1CCC[C@H](C)C1 ZINC000274843892 268220687 /nfs/dbraw/zinc/22/06/87/268220687.db2.gz WEKFYMZVABQIOQ-GJZGRUSLSA-N 2 2 346.479 1.287 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C1 ZINC000273109999 273029022 /nfs/dbraw/zinc/02/90/22/273029022.db2.gz PZBIGTMRORWGNS-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C1 ZINC000273109999 273029024 /nfs/dbraw/zinc/02/90/24/273029024.db2.gz PZBIGTMRORWGNS-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1cncc(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275511416 268353334 /nfs/dbraw/zinc/35/33/34/268353334.db2.gz BQEVJWBBPQFXSO-OAHLLOKOSA-N 2 2 343.406 1.739 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275592642 268364894 /nfs/dbraw/zinc/36/48/94/268364894.db2.gz FXLRCTROJFVJNC-UHFFFAOYSA-N 2 2 334.464 1.587 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000273423277 273038197 /nfs/dbraw/zinc/03/81/97/273038197.db2.gz XXSSZZCKFZYGTM-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[NH+](C)CCOc1cc(-c2noc(CCn3cc[nH+]c3)n2)ccn1 ZINC000273844176 273056873 /nfs/dbraw/zinc/05/68/73/273056873.db2.gz FPGRRJQZBNNENZ-UHFFFAOYSA-N 2 2 328.376 1.511 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000047369331 272913288 /nfs/dbraw/zinc/91/32/88/272913288.db2.gz SSRVYKFVFKMGOA-GOSISDBHSA-N 2 2 344.459 1.818 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc(F)cc1F ZINC000277466876 273201471 /nfs/dbraw/zinc/20/14/71/273201471.db2.gz ICMQZEQKLBONJS-UHFFFAOYSA-N 2 2 326.391 1.458 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc(F)cc1F ZINC000277466876 273201472 /nfs/dbraw/zinc/20/14/72/273201472.db2.gz ICMQZEQKLBONJS-UHFFFAOYSA-N 2 2 326.391 1.458 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000279238874 273287277 /nfs/dbraw/zinc/28/72/77/273287277.db2.gz RJALDTVWGWTMLM-INIZCTEOSA-N 2 2 341.415 1.349 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000279238874 273287278 /nfs/dbraw/zinc/28/72/78/273287278.db2.gz RJALDTVWGWTMLM-INIZCTEOSA-N 2 2 341.415 1.349 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000279254201 273289459 /nfs/dbraw/zinc/28/94/59/273289459.db2.gz PUWUPHUVGHYFEX-SJLPKXTDSA-N 2 2 348.491 1.651 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000279823500 273330517 /nfs/dbraw/zinc/33/05/17/273330517.db2.gz GLMIKVOSSBZIMY-UHFFFAOYSA-N 2 2 325.416 1.933 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000279823500 273330518 /nfs/dbraw/zinc/33/05/18/273330518.db2.gz GLMIKVOSSBZIMY-UHFFFAOYSA-N 2 2 325.416 1.933 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000284049742 274061506 /nfs/dbraw/zinc/06/15/06/274061506.db2.gz PHVALFXXVQVXAR-INIZCTEOSA-N 2 2 331.420 1.494 20 0 EDADLP COCc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1 ZINC000284614666 274264952 /nfs/dbraw/zinc/26/49/52/274264952.db2.gz RWYYVDWYJFJJPF-CRAIPNDOSA-N 2 2 328.416 1.676 20 0 EDADLP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1 ZINC000284694608 274297171 /nfs/dbraw/zinc/29/71/71/274297171.db2.gz SSJFIZOUFMOQLA-VVFCZOMOSA-N 2 2 342.443 1.969 20 0 EDADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000248435439 287770801 /nfs/dbraw/zinc/77/08/01/287770801.db2.gz AEOFJJYGEGSVDH-KURKYZTESA-N 2 2 337.508 1.726 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000352998882 276190896 /nfs/dbraw/zinc/19/08/96/276190896.db2.gz SFSSNNUDIHFLHI-XHSDSOJGSA-N 2 2 325.497 1.268 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000352998882 276190899 /nfs/dbraw/zinc/19/08/99/276190899.db2.gz SFSSNNUDIHFLHI-XHSDSOJGSA-N 2 2 325.497 1.268 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3nc(C)nc3C)C2)CC1 ZINC000363964532 276191163 /nfs/dbraw/zinc/19/11/63/276191163.db2.gz QKYDNZULIGONFG-WMLDXEAASA-N 2 2 348.495 1.084 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](n3nc(C)nc3C)C2)CC1 ZINC000363964532 276191164 /nfs/dbraw/zinc/19/11/64/276191164.db2.gz QKYDNZULIGONFG-WMLDXEAASA-N 2 2 348.495 1.084 20 0 EDADLP CCN(CC)C(=O)C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348114641 276316722 /nfs/dbraw/zinc/31/67/22/276316722.db2.gz IMTVODBCAYUKAZ-HUUCEWRRSA-N 2 2 339.459 1.133 20 0 EDADLP CCN(CC)C(=O)C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348114641 276316723 /nfs/dbraw/zinc/31/67/23/276316723.db2.gz IMTVODBCAYUKAZ-HUUCEWRRSA-N 2 2 339.459 1.133 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CSCCS3)C2)CC1 ZINC000365864674 277027911 /nfs/dbraw/zinc/02/79/11/277027911.db2.gz VZKAXQRZGADQLF-OCCSQVGLSA-N 2 2 329.535 1.120 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CSCCS3)C2)CC1 ZINC000365864674 277027913 /nfs/dbraw/zinc/02/79/13/277027913.db2.gz VZKAXQRZGADQLF-OCCSQVGLSA-N 2 2 329.535 1.120 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000268961919 277102903 /nfs/dbraw/zinc/10/29/03/277102903.db2.gz XLIZKXJNYJQTDL-LFDOHDQPSA-N 2 2 342.487 1.655 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000268961919 277102905 /nfs/dbraw/zinc/10/29/05/277102905.db2.gz XLIZKXJNYJQTDL-LFDOHDQPSA-N 2 2 342.487 1.655 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000496941083 277186584 /nfs/dbraw/zinc/18/65/84/277186584.db2.gz GBIDHVPKYBHXKO-HOTGVXAUSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000496941083 277186586 /nfs/dbraw/zinc/18/65/86/277186586.db2.gz GBIDHVPKYBHXKO-HOTGVXAUSA-N 2 2 341.496 1.822 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000266944342 278198750 /nfs/dbraw/zinc/19/87/50/278198750.db2.gz VVJQGYWXMCYKRU-ZIFCJYIRSA-N 2 2 345.487 1.686 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000266944342 278198753 /nfs/dbraw/zinc/19/87/53/278198753.db2.gz VVJQGYWXMCYKRU-ZIFCJYIRSA-N 2 2 345.487 1.686 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359316620 278214887 /nfs/dbraw/zinc/21/48/87/278214887.db2.gz XHAXUCIPKHLNGT-MELADBBJSA-N 2 2 331.416 1.326 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359316620 278214889 /nfs/dbraw/zinc/21/48/89/278214889.db2.gz XHAXUCIPKHLNGT-MELADBBJSA-N 2 2 331.416 1.326 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496218594 278264704 /nfs/dbraw/zinc/26/47/04/278264704.db2.gz UVBPQPWWPKQVKR-JQHSSLGASA-N 2 2 347.459 1.754 20 0 EDADLP Cc1ncc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000340455789 279153258 /nfs/dbraw/zinc/15/32/58/279153258.db2.gz DXNPOWOCOOURBT-UHFFFAOYSA-N 3 2 326.448 1.482 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000176149624 279172363 /nfs/dbraw/zinc/17/23/63/279172363.db2.gz RZZTYWQGWVKYBY-UXLLHSPISA-N 2 2 349.479 1.475 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000237675178 279313904 /nfs/dbraw/zinc/31/39/04/279313904.db2.gz HIIVBKRVOWPNBO-APWZRJJASA-N 2 2 345.491 1.241 20 0 EDADLP CC(C)(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)OCCO ZINC000287180366 288174091 /nfs/dbraw/zinc/17/40/91/288174091.db2.gz KCIFJRORZOXBBN-UHFFFAOYSA-N 2 2 328.376 1.410 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCN2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000364474076 280290759 /nfs/dbraw/zinc/29/07/59/280290759.db2.gz WEPYRNKXCRADSU-INIZCTEOSA-N 2 2 339.399 1.259 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCN2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000364474076 280290761 /nfs/dbraw/zinc/29/07/61/280290761.db2.gz WEPYRNKXCRADSU-INIZCTEOSA-N 2 2 339.399 1.259 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000287458090 288242455 /nfs/dbraw/zinc/24/24/55/288242455.db2.gz RXTSSDBURYGYDI-QAPCUYQASA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000287507942 288253583 /nfs/dbraw/zinc/25/35/83/288253583.db2.gz UUYIPGMIRQECDP-NZSAHSFTSA-N 2 2 345.487 1.481 20 0 EDADLP CCc1nc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)cc(C)[nH+]1 ZINC000287641730 288282649 /nfs/dbraw/zinc/28/26/49/288282649.db2.gz APGCTRAKPHHQBN-HNNXBMFYSA-N 2 2 331.464 1.480 20 0 EDADLP CC[C@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000119609450 281302261 /nfs/dbraw/zinc/30/22/61/281302261.db2.gz NLVWFPVARFKTHP-MJGOQNOKSA-N 2 2 331.460 1.566 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnnn2Cc2ccccc2)CCCO1 ZINC000291698507 289154003 /nfs/dbraw/zinc/15/40/03/289154003.db2.gz JYBBDOBCURCZSP-QGZVFWFLSA-N 2 2 343.475 1.917 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnnn2Cc2ccccc2)CCCO1 ZINC000291698507 289154004 /nfs/dbraw/zinc/15/40/04/289154004.db2.gz JYBBDOBCURCZSP-QGZVFWFLSA-N 2 2 343.475 1.917 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CCCC2)no1 ZINC000444165848 289226973 /nfs/dbraw/zinc/22/69/73/289226973.db2.gz ZMTHSOQETHVLIP-BLLLJJGKSA-N 2 2 333.436 1.016 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)CC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000292092734 289259087 /nfs/dbraw/zinc/25/90/87/289259087.db2.gz NMPAXIAJMXDHST-QGZVFWFLSA-N 2 2 330.476 1.905 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000175548081 289375673 /nfs/dbraw/zinc/37/56/73/289375673.db2.gz HCVBKJCOYVKWRJ-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP CCOCC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000293318603 289581335 /nfs/dbraw/zinc/58/13/35/289581335.db2.gz QUHGVVQRTOCUCP-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccn(C)n1 ZINC000459793296 289942322 /nfs/dbraw/zinc/94/23/22/289942322.db2.gz OSTYIIQZMLHLJU-WMLDXEAASA-N 2 2 329.448 1.490 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000112636388 290378230 /nfs/dbraw/zinc/37/82/30/290378230.db2.gz JCZZRDGYHJNAHY-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000112636388 290378235 /nfs/dbraw/zinc/37/82/35/290378235.db2.gz JCZZRDGYHJNAHY-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662238061 452968590 /nfs/dbraw/zinc/96/85/90/452968590.db2.gz QYNYFYVDFLTSGD-QWHCGFSZSA-N 2 2 337.386 1.192 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662238061 452968596 /nfs/dbraw/zinc/96/85/96/452968596.db2.gz QYNYFYVDFLTSGD-QWHCGFSZSA-N 2 2 337.386 1.192 20 0 EDADLP COC[C@H]([NH3+])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000262296697 293118031 /nfs/dbraw/zinc/11/80/31/293118031.db2.gz NLLXZLBWQYLCCG-KBPBESRZSA-N 2 2 343.830 1.706 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COC3CCCC3)CC2)CC1 ZINC000422012181 447307096 /nfs/dbraw/zinc/30/70/96/447307096.db2.gz VJDZXHAWKYYJPE-UHFFFAOYSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COC3CCCC3)CC2)CC1 ZINC000422012181 447307102 /nfs/dbraw/zinc/30/71/02/447307102.db2.gz VJDZXHAWKYYJPE-UHFFFAOYSA-N 2 2 337.508 1.964 20 0 EDADLP CC[C@H](C(=O)NC1CCC([NH+](C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000422013357 447307612 /nfs/dbraw/zinc/30/76/12/447307612.db2.gz XHJAGZDMYPQNQF-SJJHQCBESA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)NC1CCC([NH+](C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000422013357 447307617 /nfs/dbraw/zinc/30/76/17/447307617.db2.gz XHJAGZDMYPQNQF-SJJHQCBESA-N 2 2 325.497 1.865 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](O)CCSC)CC2)CC1 ZINC000422012065 447307990 /nfs/dbraw/zinc/30/79/90/447307990.db2.gz DMVGDFHRAYCIIC-MRXNPFEDSA-N 2 2 343.537 1.119 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](O)CCSC)CC2)CC1 ZINC000422012065 447307995 /nfs/dbraw/zinc/30/79/95/447307995.db2.gz DMVGDFHRAYCIIC-MRXNPFEDSA-N 2 2 343.537 1.119 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245447688 298117716 /nfs/dbraw/zinc/11/77/16/298117716.db2.gz MHYKEGBXGSPKLN-ZIAGYGMSSA-N 2 2 326.485 1.805 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245447688 298117717 /nfs/dbraw/zinc/11/77/17/298117717.db2.gz MHYKEGBXGSPKLN-ZIAGYGMSSA-N 2 2 326.485 1.805 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245447688 298117719 /nfs/dbraw/zinc/11/77/19/298117719.db2.gz MHYKEGBXGSPKLN-ZIAGYGMSSA-N 2 2 326.485 1.805 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245447688 298117720 /nfs/dbraw/zinc/11/77/20/298117720.db2.gz MHYKEGBXGSPKLN-ZIAGYGMSSA-N 2 2 326.485 1.805 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000372730318 298159145 /nfs/dbraw/zinc/15/91/45/298159145.db2.gz ZBHNDXJPIGZRKA-OWCLPIDISA-N 2 2 341.521 1.041 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000660216312 453136861 /nfs/dbraw/zinc/13/68/61/453136861.db2.gz RDXBPVRWSSZZMN-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000660216312 453136868 /nfs/dbraw/zinc/13/68/68/453136868.db2.gz RDXBPVRWSSZZMN-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000333115460 300244969 /nfs/dbraw/zinc/24/49/69/300244969.db2.gz YOBSPFWMDKIVJD-GJZGRUSLSA-N 2 2 349.479 1.247 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000333115460 300244972 /nfs/dbraw/zinc/24/49/72/300244972.db2.gz YOBSPFWMDKIVJD-GJZGRUSLSA-N 2 2 349.479 1.247 20 0 EDADLP CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)n1 ZINC000420319939 304751291 /nfs/dbraw/zinc/75/12/91/304751291.db2.gz PPXFVTZPCZCREP-HNNXBMFYSA-N 2 2 342.465 1.150 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662568836 453296834 /nfs/dbraw/zinc/29/68/34/453296834.db2.gz VLZMRISBWOYWLM-OCCSQVGLSA-N 2 2 344.228 1.609 20 0 EDADLP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000414742005 447319565 /nfs/dbraw/zinc/31/95/65/447319565.db2.gz MWXDMPBPAYSCKB-UHFFFAOYSA-N 2 2 333.436 1.183 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000333072598 303010555 /nfs/dbraw/zinc/01/05/55/303010555.db2.gz GUYYFBDAYFGLCF-UKRRQHHQSA-N 2 2 331.464 1.997 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000333072598 303010557 /nfs/dbraw/zinc/01/05/57/303010557.db2.gz GUYYFBDAYFGLCF-UKRRQHHQSA-N 2 2 331.464 1.997 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@@H](O)c2cccnc2)C1 ZINC000296100778 303295859 /nfs/dbraw/zinc/29/58/59/303295859.db2.gz XEKZCLMIRIPJLG-JKSUJKDBSA-N 2 2 328.416 1.729 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@@H](O)c2cccnc2)C1 ZINC000296100778 303295861 /nfs/dbraw/zinc/29/58/61/303295861.db2.gz XEKZCLMIRIPJLG-JKSUJKDBSA-N 2 2 328.416 1.729 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)nn1 ZINC000296420718 303316258 /nfs/dbraw/zinc/31/62/58/303316258.db2.gz MOSSOJNPKLJZIR-UHFFFAOYSA-N 2 2 345.447 1.581 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)nn1 ZINC000296420718 303316259 /nfs/dbraw/zinc/31/62/59/303316259.db2.gz MOSSOJNPKLJZIR-UHFFFAOYSA-N 2 2 345.447 1.581 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000296748303 303335828 /nfs/dbraw/zinc/33/58/28/303335828.db2.gz AZKJWGPUUAOCKJ-QGZVFWFLSA-N 2 2 345.491 1.146 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000297175280 303368505 /nfs/dbraw/zinc/36/85/05/303368505.db2.gz AHMYFQSRXDPMEP-UHFFFAOYSA-N 2 2 348.447 1.344 20 0 EDADLP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000456212398 447329738 /nfs/dbraw/zinc/32/97/38/447329738.db2.gz PBBSXQMTIXNXJW-BETUJISGSA-N 2 2 325.478 1.337 20 0 EDADLP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000456212398 447329741 /nfs/dbraw/zinc/32/97/41/447329741.db2.gz PBBSXQMTIXNXJW-BETUJISGSA-N 2 2 325.478 1.337 20 0 EDADLP Cc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)nc(C(C)C)[nH+]1 ZINC000301201088 303665860 /nfs/dbraw/zinc/66/58/60/303665860.db2.gz MTMZAWPJYWOORN-UHFFFAOYSA-N 2 2 340.493 1.829 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)CC1 ZINC000493522980 447341063 /nfs/dbraw/zinc/34/10/63/447341063.db2.gz NSKYGZPSYXIADK-SNAWJCMRSA-N 3 2 331.464 1.442 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)CC1 ZINC000493522980 447341068 /nfs/dbraw/zinc/34/10/68/447341068.db2.gz NSKYGZPSYXIADK-SNAWJCMRSA-N 3 2 331.464 1.442 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/c3ncc[nH]3)CC2)CC1 ZINC000493522980 447341073 /nfs/dbraw/zinc/34/10/73/447341073.db2.gz NSKYGZPSYXIADK-SNAWJCMRSA-N 2 2 331.464 1.442 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/c3ncc[nH]3)CC2)CC1 ZINC000493522980 447341081 /nfs/dbraw/zinc/34/10/81/447341081.db2.gz NSKYGZPSYXIADK-SNAWJCMRSA-N 2 2 331.464 1.442 20 0 EDADLP CC(C)C(=O)N1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420897055 304782214 /nfs/dbraw/zinc/78/22/14/304782214.db2.gz CANMYOMGIDNBRZ-UHFFFAOYSA-N 2 2 345.487 1.819 20 0 EDADLP COCCn1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000414888567 447344593 /nfs/dbraw/zinc/34/45/93/447344593.db2.gz FHJSZQZYUAMEFM-QZTJIDSGSA-N 2 2 332.423 1.904 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422938924 304880608 /nfs/dbraw/zinc/88/06/08/304880608.db2.gz LITFCKSQHLLSDV-SCRDCRAPSA-N 2 2 343.265 1.919 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000422963829 304881514 /nfs/dbraw/zinc/88/15/14/304881514.db2.gz JUKAQNCPKMVSHE-YESZJQIVSA-N 2 2 325.497 1.770 20 0 EDADLP Cc1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1S(C)(=O)=O ZINC000423079981 304884715 /nfs/dbraw/zinc/88/47/15/304884715.db2.gz ZAOUJOFHNUNCOE-ZFWWWQNUSA-N 2 2 326.462 1.255 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423096479 304885708 /nfs/dbraw/zinc/88/57/08/304885708.db2.gz OYUAKRLWDNWVLN-RWQQGDIJSA-N 2 2 334.460 1.723 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423212070 304889601 /nfs/dbraw/zinc/88/96/01/304889601.db2.gz ZOKPOTHQQZLIMA-UKRRQHHQSA-N 2 2 349.456 1.771 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000423739292 304907060 /nfs/dbraw/zinc/90/70/60/304907060.db2.gz HDNZNCWEDFHCSR-PBHICJAKSA-N 2 2 335.423 1.409 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423914944 304915683 /nfs/dbraw/zinc/91/56/83/304915683.db2.gz LNURQCRJKQCXBZ-GRDNDAEWSA-N 2 2 339.459 1.308 20 0 EDADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3c[nH+]c(N(C)C)n3C)CC2)C[C@H](C)O1 ZINC000425322637 304961032 /nfs/dbraw/zinc/96/10/32/304961032.db2.gz HUCAPGIAIITOLW-HOTGVXAUSA-N 3 2 349.523 1.807 20 0 EDADLP CN(C)C(=O)COc1cccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000425363004 304962001 /nfs/dbraw/zinc/96/20/01/304962001.db2.gz WEUJBSFBZWBYDT-UHFFFAOYSA-N 2 2 345.447 1.243 20 0 EDADLP CCC[N@H+](CC(N)=O)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000429116453 305024215 /nfs/dbraw/zinc/02/42/15/305024215.db2.gz RBOWSFHCMCGWTQ-INIZCTEOSA-N 2 2 346.475 1.089 20 0 EDADLP CCC[N@@H+](CC(N)=O)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000429116453 305024216 /nfs/dbraw/zinc/02/42/16/305024216.db2.gz RBOWSFHCMCGWTQ-INIZCTEOSA-N 2 2 346.475 1.089 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430570251 305056456 /nfs/dbraw/zinc/05/64/56/305056456.db2.gz BNLVQVZLUUIKRA-IBGZPJMESA-N 2 2 349.475 1.769 20 0 EDADLP C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C[NH3+] ZINC000430580732 305056948 /nfs/dbraw/zinc/05/69/48/305056948.db2.gz SJJBPMNELNTQKQ-IRXDYDNUSA-N 3 2 345.491 1.180 20 0 EDADLP C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C[NH3+] ZINC000430580732 305056949 /nfs/dbraw/zinc/05/69/49/305056949.db2.gz SJJBPMNELNTQKQ-IRXDYDNUSA-N 3 2 345.491 1.180 20 0 EDADLP C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)[C@H]1C[NH3+] ZINC000430580732 305056950 /nfs/dbraw/zinc/05/69/50/305056950.db2.gz SJJBPMNELNTQKQ-IRXDYDNUSA-N 2 2 345.491 1.180 20 0 EDADLP C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)[C@H]1C[NH3+] ZINC000430580732 305056951 /nfs/dbraw/zinc/05/69/51/305056951.db2.gz SJJBPMNELNTQKQ-IRXDYDNUSA-N 2 2 345.491 1.180 20 0 EDADLP C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)CC(C)(C)C[NH3+] ZINC000430596494 305057723 /nfs/dbraw/zinc/05/77/23/305057723.db2.gz OOWWJYYRJHWSMR-UHFFFAOYSA-N 2 2 347.503 1.768 20 0 EDADLP C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)CC(C)(C)C[NH3+] ZINC000430596494 305057724 /nfs/dbraw/zinc/05/77/24/305057724.db2.gz OOWWJYYRJHWSMR-UHFFFAOYSA-N 2 2 347.503 1.768 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430601899 305058039 /nfs/dbraw/zinc/05/80/39/305058039.db2.gz FDYLXLCNVLEHES-HNNXBMFYSA-N 2 2 335.448 1.251 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430601899 305058040 /nfs/dbraw/zinc/05/80/40/305058040.db2.gz FDYLXLCNVLEHES-HNNXBMFYSA-N 2 2 335.448 1.251 20 0 EDADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430620025 305059506 /nfs/dbraw/zinc/05/95/06/305059506.db2.gz BQVVKSHPJOWLKZ-GOSISDBHSA-N 2 2 348.466 1.678 20 0 EDADLP [NH3+]C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430620025 305059507 /nfs/dbraw/zinc/05/95/07/305059507.db2.gz BQVVKSHPJOWLKZ-GOSISDBHSA-N 2 2 348.466 1.678 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430629700 305060203 /nfs/dbraw/zinc/06/02/03/305060203.db2.gz QPTYUYVCABOFFM-OCCSQVGLSA-N 2 2 348.447 1.651 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430629700 305060204 /nfs/dbraw/zinc/06/02/04/305060204.db2.gz QPTYUYVCABOFFM-OCCSQVGLSA-N 2 2 348.447 1.651 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430642142 305060913 /nfs/dbraw/zinc/06/09/13/305060913.db2.gz NYNKXWWVROPPNO-SJORKVTESA-N 2 2 330.476 1.300 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430642142 305060914 /nfs/dbraw/zinc/06/09/14/305060914.db2.gz NYNKXWWVROPPNO-SJORKVTESA-N 2 2 330.476 1.300 20 0 EDADLP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000430643301 305061004 /nfs/dbraw/zinc/06/10/04/305061004.db2.gz WZBCMHIUHSAVKH-ZDUSSCGKSA-N 2 2 335.452 1.011 20 0 EDADLP CC(C)(C)c1nc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000430643301 305061005 /nfs/dbraw/zinc/06/10/05/305061005.db2.gz WZBCMHIUHSAVKH-ZDUSSCGKSA-N 2 2 335.452 1.011 20 0 EDADLP C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000430656349 305061567 /nfs/dbraw/zinc/06/15/67/305061567.db2.gz SZKWMVDUKRSBBX-UHFFFAOYSA-N 2 2 334.439 1.158 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000430656349 305061568 /nfs/dbraw/zinc/06/15/68/305061568.db2.gz SZKWMVDUKRSBBX-UHFFFAOYSA-N 2 2 334.439 1.158 20 0 EDADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000430762779 305064428 /nfs/dbraw/zinc/06/44/28/305064428.db2.gz MKUXWFNZIBZILU-IAGOWNOFSA-N 2 2 346.475 1.832 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000430918370 305067870 /nfs/dbraw/zinc/06/78/70/305067870.db2.gz HIBCRIQXTASWGO-STQMWFEESA-N 2 2 325.403 1.553 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000430918370 305067871 /nfs/dbraw/zinc/06/78/71/305067871.db2.gz HIBCRIQXTASWGO-STQMWFEESA-N 2 2 325.403 1.553 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)C1 ZINC000430927643 305068589 /nfs/dbraw/zinc/06/85/89/305068589.db2.gz RPNHLLSCFDAXJA-KFWWJZLASA-N 2 2 349.475 1.811 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)C1 ZINC000430927643 305068590 /nfs/dbraw/zinc/06/85/90/305068590.db2.gz RPNHLLSCFDAXJA-KFWWJZLASA-N 2 2 349.475 1.811 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000430933711 305069008 /nfs/dbraw/zinc/06/90/08/305069008.db2.gz JITOCWRZDGFKFB-YOEHRIQHSA-N 2 2 334.439 1.143 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000430933711 305069009 /nfs/dbraw/zinc/06/90/09/305069009.db2.gz JITOCWRZDGFKFB-YOEHRIQHSA-N 2 2 334.439 1.143 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000430937004 305069148 /nfs/dbraw/zinc/06/91/48/305069148.db2.gz YMHCPTSKGRBJGM-GJZGRUSLSA-N 2 2 349.475 1.812 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000430937004 305069149 /nfs/dbraw/zinc/06/91/49/305069149.db2.gz YMHCPTSKGRBJGM-GJZGRUSLSA-N 2 2 349.475 1.812 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430934933 305069299 /nfs/dbraw/zinc/06/92/99/305069299.db2.gz OHFXRGSZUWTFCC-JYJNAYRXSA-N 2 2 346.475 1.416 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430934933 305069300 /nfs/dbraw/zinc/06/93/00/305069300.db2.gz OHFXRGSZUWTFCC-JYJNAYRXSA-N 2 2 346.475 1.416 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000430940455 305069609 /nfs/dbraw/zinc/06/96/09/305069609.db2.gz KIOWJSRNODQPHD-BXUZGUMPSA-N 2 2 343.349 1.971 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000430940455 305069610 /nfs/dbraw/zinc/06/96/10/305069610.db2.gz KIOWJSRNODQPHD-BXUZGUMPSA-N 2 2 343.349 1.971 20 0 EDADLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OCC ZINC000430952397 305070622 /nfs/dbraw/zinc/07/06/22/305070622.db2.gz PUJCKIPHWMQUDF-CQSZACIVSA-N 2 2 335.448 1.964 20 0 EDADLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OCC ZINC000430952397 305070623 /nfs/dbraw/zinc/07/06/23/305070623.db2.gz PUJCKIPHWMQUDF-CQSZACIVSA-N 2 2 335.448 1.964 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430960997 305071099 /nfs/dbraw/zinc/07/10/99/305071099.db2.gz AXWOLMNDAKSPAZ-RISCZKNCSA-N 2 2 327.375 1.573 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430960997 305071100 /nfs/dbraw/zinc/07/11/00/305071100.db2.gz AXWOLMNDAKSPAZ-RISCZKNCSA-N 2 2 327.375 1.573 20 0 EDADLP C[C@H]([NH3+])CC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000431011487 305072733 /nfs/dbraw/zinc/07/27/33/305072733.db2.gz UWSFYKJJLCYRRX-LBPRGKRZSA-N 2 2 331.420 1.113 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000434177912 305118387 /nfs/dbraw/zinc/11/83/87/305118387.db2.gz ADHOTELRHAMGNU-IRXDYDNUSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000434177912 305118388 /nfs/dbraw/zinc/11/83/88/305118388.db2.gz ADHOTELRHAMGNU-IRXDYDNUSA-N 2 2 340.512 1.469 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H]1C ZINC000434457852 305123266 /nfs/dbraw/zinc/12/32/66/305123266.db2.gz ZCOXRISMKPAPQF-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H]1C ZINC000434457852 305123267 /nfs/dbraw/zinc/12/32/67/305123267.db2.gz ZCOXRISMKPAPQF-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1 ZINC000434998251 305134200 /nfs/dbraw/zinc/13/42/00/305134200.db2.gz ABTPVWSGXJYWOS-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1 ZINC000434998251 305134201 /nfs/dbraw/zinc/13/42/01/305134201.db2.gz ABTPVWSGXJYWOS-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000434998251 305134202 /nfs/dbraw/zinc/13/42/02/305134202.db2.gz ABTPVWSGXJYWOS-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000434998251 305134203 /nfs/dbraw/zinc/13/42/03/305134203.db2.gz ABTPVWSGXJYWOS-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP O=C([C@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1)N1CC[NH2+]CC1 ZINC000435376249 305139392 /nfs/dbraw/zinc/13/93/92/305139392.db2.gz ZCEJMNLANWZTFC-NSHDSACASA-N 2 2 328.869 1.440 20 0 EDADLP O=C([C@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1)N1CC[NH2+]CC1 ZINC000435376249 305139393 /nfs/dbraw/zinc/13/93/93/305139393.db2.gz ZCEJMNLANWZTFC-NSHDSACASA-N 2 2 328.869 1.440 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435559895 305142298 /nfs/dbraw/zinc/14/22/98/305142298.db2.gz RNMBQJRRQGWYLF-HNNXBMFYSA-N 3 2 333.480 1.231 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435559895 305142299 /nfs/dbraw/zinc/14/22/99/305142299.db2.gz RNMBQJRRQGWYLF-HNNXBMFYSA-N 3 2 333.480 1.231 20 0 EDADLP C[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435617661 305143439 /nfs/dbraw/zinc/14/34/39/305143439.db2.gz QGZAYJVCAPMISK-HNNXBMFYSA-N 2 2 339.867 1.909 20 0 EDADLP C[N@@H+](CC(=O)NCCOc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435617661 305143440 /nfs/dbraw/zinc/14/34/40/305143440.db2.gz QGZAYJVCAPMISK-HNNXBMFYSA-N 2 2 339.867 1.909 20 0 EDADLP C[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435624697 305143929 /nfs/dbraw/zinc/14/39/29/305143929.db2.gz JPZQHHSEEYHKLS-QZTJIDSGSA-N 2 2 349.450 1.800 20 0 EDADLP C[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435624697 305143930 /nfs/dbraw/zinc/14/39/30/305143930.db2.gz JPZQHHSEEYHKLS-QZTJIDSGSA-N 2 2 349.450 1.800 20 0 EDADLP CC[C@H](C)NC(=O)CN(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693045 305145511 /nfs/dbraw/zinc/14/55/11/305145511.db2.gz IGEFOIIGSFTNLC-JKSUJKDBSA-N 2 2 347.507 1.762 20 0 EDADLP CCCc1nc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)no1 ZINC000435698260 305145791 /nfs/dbraw/zinc/14/57/91/305145791.db2.gz VYHSBJCFJBPEQV-AWEZNQCLSA-N 2 2 344.463 1.900 20 0 EDADLP CCC(CC)[C@H](C(=O)NCCNc1cc[nH+]cc1)[NH+]1CCOCC1 ZINC000439046461 305193072 /nfs/dbraw/zinc/19/30/72/305193072.db2.gz XUVJLMQXXPZWRQ-QGZVFWFLSA-N 2 2 334.464 1.169 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)(N2CCOCC2)C1 ZINC000444006643 305242666 /nfs/dbraw/zinc/24/26/66/305242666.db2.gz XRMNDEMIAPKMCL-RZZCCWGQSA-N 2 2 325.497 1.186 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)(N2CCOCC2)C1 ZINC000444006643 305242667 /nfs/dbraw/zinc/24/26/67/305242667.db2.gz XRMNDEMIAPKMCL-RZZCCWGQSA-N 2 2 325.497 1.186 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)[C@H](C)O1 ZINC000446077019 305260749 /nfs/dbraw/zinc/26/07/49/305260749.db2.gz DEXGJKMVTUNDAQ-ZACQAIPSSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)[C@H](C)O1 ZINC000446077019 305260750 /nfs/dbraw/zinc/26/07/50/305260750.db2.gz DEXGJKMVTUNDAQ-ZACQAIPSSA-N 2 2 346.475 1.618 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447564138 305282259 /nfs/dbraw/zinc/28/22/59/305282259.db2.gz VHUPEZIPNZLZHR-GOEBONIOSA-N 2 2 342.447 1.071 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447564138 305282260 /nfs/dbraw/zinc/28/22/60/305282260.db2.gz VHUPEZIPNZLZHR-GOEBONIOSA-N 2 2 342.447 1.071 20 0 EDADLP [NH3+]CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(F)(F)F ZINC000449730553 305318266 /nfs/dbraw/zinc/31/82/66/305318266.db2.gz REYPUKWMKQHTOU-ZDUSSCGKSA-N 2 2 326.322 1.941 20 0 EDADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000458420397 447356691 /nfs/dbraw/zinc/35/66/91/447356691.db2.gz SQJSJFYPIGXZSW-HNNXBMFYSA-N 2 2 343.431 1.080 20 0 EDADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000458420397 447356699 /nfs/dbraw/zinc/35/66/99/447356699.db2.gz SQJSJFYPIGXZSW-HNNXBMFYSA-N 2 2 343.431 1.080 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000514565210 305699351 /nfs/dbraw/zinc/69/93/51/305699351.db2.gz YXHKXQHXUAUAFB-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000517171998 305748795 /nfs/dbraw/zinc/74/87/95/305748795.db2.gz SMEFZDZOZJLUAP-LSDHHAIUSA-N 2 2 337.489 1.141 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCN(C(C)C)C3=O)c2cc1C ZINC000518965518 305765395 /nfs/dbraw/zinc/76/53/95/305765395.db2.gz QRKOPYZDRFGNFA-CVEARBPZSA-N 2 2 344.459 1.613 20 0 EDADLP C[C@@H](c1cccc(NC(=O)NC[C@H]2COCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000528678516 305883602 /nfs/dbraw/zinc/88/36/02/305883602.db2.gz FWWTXLWOVGVHNY-YOEHRIQHSA-N 2 2 348.447 1.190 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ncnc4c3CCC4)CC2)CC1 ZINC000532905532 305992889 /nfs/dbraw/zinc/99/28/89/305992889.db2.gz GDRRLJMELIEHQA-UHFFFAOYSA-N 2 2 329.492 1.960 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000535313328 306012767 /nfs/dbraw/zinc/01/27/67/306012767.db2.gz KVUPEAXNQHSNDO-MRXNPFEDSA-N 2 2 337.427 1.846 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000535313328 306012768 /nfs/dbraw/zinc/01/27/68/306012768.db2.gz KVUPEAXNQHSNDO-MRXNPFEDSA-N 2 2 337.427 1.846 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000536528041 306021301 /nfs/dbraw/zinc/02/13/01/306021301.db2.gz NBEMFYHYGRXBAD-UHFFFAOYSA-N 2 2 325.416 1.936 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000537328397 306026652 /nfs/dbraw/zinc/02/66/52/306026652.db2.gz CAQJBRXOHZKHDK-OAHLLOKOSA-N 2 2 328.420 1.507 20 0 EDADLP Cc1cc(NC(=O)N(C)Cc2[nH+]ccn2C)n(C2CC[NH+](C)CC2)n1 ZINC000539258359 306035007 /nfs/dbraw/zinc/03/50/07/306035007.db2.gz SEXSVKNYJTWEQZ-UHFFFAOYSA-N 2 2 345.451 1.856 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000540246347 306039075 /nfs/dbraw/zinc/03/90/75/306039075.db2.gz FJCVKZIQZOONOX-IRXDYDNUSA-N 2 2 348.491 1.875 20 0 EDADLP Cc1c[nH]cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1=O ZINC000541905452 306049730 /nfs/dbraw/zinc/04/97/30/306049730.db2.gz JQSWRAVMOUSOGV-UHFFFAOYSA-N 2 2 346.475 1.363 20 0 EDADLP CNC(=O)Cc1noc(C[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)n1 ZINC000543993530 306071726 /nfs/dbraw/zinc/07/17/26/306071726.db2.gz RNVWFTBBMNIKNT-UHFFFAOYSA-N 2 2 329.404 1.441 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)CC2)cn1 ZINC000548060290 306118756 /nfs/dbraw/zinc/11/87/56/306118756.db2.gz XSADOCSWKGGCOY-UHFFFAOYSA-N 2 2 347.507 1.719 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)CC2)cn1 ZINC000548060290 306118757 /nfs/dbraw/zinc/11/87/57/306118757.db2.gz XSADOCSWKGGCOY-UHFFFAOYSA-N 2 2 347.507 1.719 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000548063027 306118999 /nfs/dbraw/zinc/11/89/99/306118999.db2.gz BZVUFPALBOTYFA-MRXNPFEDSA-N 2 2 327.432 1.751 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000548063027 306119000 /nfs/dbraw/zinc/11/90/00/306119000.db2.gz BZVUFPALBOTYFA-MRXNPFEDSA-N 2 2 327.432 1.751 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000548408060 306127268 /nfs/dbraw/zinc/12/72/68/306127268.db2.gz HGZJEVAZHIEPFZ-OAHLLOKOSA-N 2 2 346.475 1.981 20 0 EDADLP C[N@H+](CCN1CCCC1=O)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700111 306160261 /nfs/dbraw/zinc/16/02/61/306160261.db2.gz WVUCPPDYQKUPEO-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP C[N@@H+](CCN1CCCC1=O)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000551700111 306160262 /nfs/dbraw/zinc/16/02/62/306160262.db2.gz WVUCPPDYQKUPEO-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP C[NH+](CCN1CCCC1=O)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551700111 306160263 /nfs/dbraw/zinc/16/02/63/306160263.db2.gz WVUCPPDYQKUPEO-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP C[NH+](CCN1CCCC1=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551700111 306160264 /nfs/dbraw/zinc/16/02/64/306160264.db2.gz WVUCPPDYQKUPEO-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000551746686 306161084 /nfs/dbraw/zinc/16/10/84/306161084.db2.gz DOPDIVHHICLIOZ-CQSZACIVSA-N 2 2 343.431 1.373 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000551746686 306161085 /nfs/dbraw/zinc/16/10/85/306161085.db2.gz DOPDIVHHICLIOZ-CQSZACIVSA-N 2 2 343.431 1.373 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)CC2 ZINC000552928202 306181729 /nfs/dbraw/zinc/18/17/29/306181729.db2.gz WNYJNZXLTUDQHF-SFHVURJKSA-N 2 2 338.455 1.928 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@H+]1CCc3ccccc3C1)CC2 ZINC000552928202 306181730 /nfs/dbraw/zinc/18/17/30/306181730.db2.gz WNYJNZXLTUDQHF-SFHVURJKSA-N 2 2 338.455 1.928 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000557002702 306223011 /nfs/dbraw/zinc/22/30/11/306223011.db2.gz HPSWAKRYIJGQCY-ZDUSSCGKSA-N 2 2 331.420 1.454 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000557137890 306224875 /nfs/dbraw/zinc/22/48/75/306224875.db2.gz JTEQIBSEHVFKFJ-ZBFHGGJFSA-N 2 2 327.432 1.808 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc(C)[nH+]1 ZINC000422153646 447376374 /nfs/dbraw/zinc/37/63/74/447376374.db2.gz SVHVGEGOQRGKDI-GOSISDBHSA-N 2 2 347.507 1.770 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)NCCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC000045454882 440989707 /nfs/dbraw/zinc/98/97/07/440989707.db2.gz HZAFMPHOLRMZIL-HOTGVXAUSA-N 2 2 349.479 1.682 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000047105594 441155711 /nfs/dbraw/zinc/15/57/11/441155711.db2.gz MJVIWNPVXQLGDO-JKSUJKDBSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000047105594 441155713 /nfs/dbraw/zinc/15/57/13/441155713.db2.gz MJVIWNPVXQLGDO-JKSUJKDBSA-N 2 2 329.448 1.540 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105103263 441233190 /nfs/dbraw/zinc/23/31/90/441233190.db2.gz LZXDUJQHMIQKFY-HZPDHXFCSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000105150366 441238771 /nfs/dbraw/zinc/23/87/71/441238771.db2.gz PZSIWRRFHOJXMH-AWEZNQCLSA-N 2 2 348.516 1.984 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[N@H+]1CCc2sccc2C1 ZINC000105150366 441238773 /nfs/dbraw/zinc/23/87/73/441238773.db2.gz PZSIWRRFHOJXMH-AWEZNQCLSA-N 2 2 348.516 1.984 20 0 EDADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cccs1 ZINC000015299429 441200291 /nfs/dbraw/zinc/20/02/91/441200291.db2.gz KCERPOOMBUOIJD-UHFFFAOYSA-N 2 2 325.478 1.407 20 0 EDADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cccs1 ZINC000015299429 441200295 /nfs/dbraw/zinc/20/02/95/441200295.db2.gz KCERPOOMBUOIJD-UHFFFAOYSA-N 2 2 325.478 1.407 20 0 EDADLP Cc1ccccc1C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000016374652 441220836 /nfs/dbraw/zinc/22/08/36/441220836.db2.gz WOQWEUMRVHCOLB-LJQANCHMSA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccccc1C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000016374652 441220838 /nfs/dbraw/zinc/22/08/38/441220838.db2.gz WOQWEUMRVHCOLB-LJQANCHMSA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccccc1C[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000016374652 441220839 /nfs/dbraw/zinc/22/08/39/441220839.db2.gz WOQWEUMRVHCOLB-LJQANCHMSA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccccc1C[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000016374652 441220841 /nfs/dbraw/zinc/22/08/41/441220841.db2.gz WOQWEUMRVHCOLB-LJQANCHMSA-N 2 2 347.503 1.900 20 0 EDADLP C[NH+]1CCC(N(Cc2ccccc2F)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081349488 441256020 /nfs/dbraw/zinc/25/60/20/441256020.db2.gz BQLPQKZKWCVOFJ-SFHVURJKSA-N 2 2 349.450 1.579 20 0 EDADLP C[NH+]1CCC(N(Cc2ccccc2F)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081349488 441256023 /nfs/dbraw/zinc/25/60/23/441256023.db2.gz BQLPQKZKWCVOFJ-SFHVURJKSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000072794654 441259291 /nfs/dbraw/zinc/25/92/91/441259291.db2.gz MJMUONWQUSXYDS-UHFFFAOYSA-N 2 2 333.480 1.052 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000072878202 441272865 /nfs/dbraw/zinc/27/28/65/441272865.db2.gz RSDIXCCCKJDPIN-UHFFFAOYSA-N 2 2 329.404 1.708 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000073623270 441333767 /nfs/dbraw/zinc/33/37/67/441333767.db2.gz MKWYWRLMHNSFIJ-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000073623270 441333773 /nfs/dbraw/zinc/33/37/73/441333773.db2.gz MKWYWRLMHNSFIJ-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP O=C(C[N@H+](CCO)CC1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064516259 441382561 /nfs/dbraw/zinc/38/25/61/441382561.db2.gz XHEBMMSTYZUDGW-UHFFFAOYSA-N 2 2 331.460 1.035 20 0 EDADLP O=C(C[N@@H+](CCO)CC1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064516259 441382566 /nfs/dbraw/zinc/38/25/66/441382566.db2.gz XHEBMMSTYZUDGW-UHFFFAOYSA-N 2 2 331.460 1.035 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3ccccc3C)C2)CC1 ZINC000107372431 441413812 /nfs/dbraw/zinc/41/38/12/441413812.db2.gz NZPOLDVLZJYHOD-LJQANCHMSA-N 2 2 344.503 1.323 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3ccccc3C)C2)CC1 ZINC000107372431 441413818 /nfs/dbraw/zinc/41/38/18/441413818.db2.gz NZPOLDVLZJYHOD-LJQANCHMSA-N 2 2 344.503 1.323 20 0 EDADLP Cc1cc(CN(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC000051760339 441422218 /nfs/dbraw/zinc/42/22/18/441422218.db2.gz GQYAAWORZSGUJU-UHFFFAOYSA-N 2 2 349.479 1.683 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000051760972 441422657 /nfs/dbraw/zinc/42/26/57/441422657.db2.gz WCUVDDABTWQMKC-UHFFFAOYSA-N 2 2 325.840 1.425 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCCN(c3cc[nH+]c4ccncc43)C2)CC1 ZINC000085682139 441448241 /nfs/dbraw/zinc/44/82/41/441448241.db2.gz AXSQWQYMJYRXFX-HNNXBMFYSA-N 2 2 339.443 1.620 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000108372339 441450439 /nfs/dbraw/zinc/45/04/39/441450439.db2.gz YDDAMTDERMJLBT-GOSISDBHSA-N 2 2 349.475 1.847 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000108506544 441458451 /nfs/dbraw/zinc/45/84/51/441458451.db2.gz GEMPXNGAIUPDCQ-INIZCTEOSA-N 2 2 346.475 1.982 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108546976 441463082 /nfs/dbraw/zinc/46/30/82/441463082.db2.gz ZPZQRXFIZRKARQ-MRXNPFEDSA-N 2 2 327.432 1.660 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108546976 441463086 /nfs/dbraw/zinc/46/30/86/441463086.db2.gz ZPZQRXFIZRKARQ-MRXNPFEDSA-N 2 2 327.432 1.660 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000089153734 441526744 /nfs/dbraw/zinc/52/67/44/441526744.db2.gz KCHKXYJGSJURTD-MRXNPFEDSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000089153734 441526749 /nfs/dbraw/zinc/52/67/49/441526749.db2.gz KCHKXYJGSJURTD-MRXNPFEDSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000066475201 441535603 /nfs/dbraw/zinc/53/56/03/441535603.db2.gz HIXVEXRAWYEPER-QWFCFKBJSA-N 2 2 347.503 1.274 20 0 EDADLP CCc1noc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000109789126 441506488 /nfs/dbraw/zinc/50/64/88/441506488.db2.gz MJOJVHXMPSCWTQ-UHFFFAOYSA-N 2 2 335.452 1.008 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccccc1O ZINC000112921432 441568816 /nfs/dbraw/zinc/56/88/16/441568816.db2.gz MUSBZFBPXCXKAV-UHFFFAOYSA-N 2 2 333.476 1.809 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccccc1O ZINC000112921432 441568821 /nfs/dbraw/zinc/56/88/21/441568821.db2.gz MUSBZFBPXCXKAV-UHFFFAOYSA-N 2 2 333.476 1.809 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[NH+]1CCOCC1 ZINC000076055319 441588191 /nfs/dbraw/zinc/58/81/91/441588191.db2.gz WTWIGVAQAIHZBN-HOTGVXAUSA-N 2 2 349.479 1.656 20 0 EDADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926830 441596417 /nfs/dbraw/zinc/59/64/17/441596417.db2.gz YTTNVYCFEADELW-HOTGVXAUSA-N 2 2 333.480 1.579 20 0 EDADLP COCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccco1 ZINC000114455128 441658132 /nfs/dbraw/zinc/65/81/32/441658132.db2.gz XCSJOOIXKCKRBH-UHFFFAOYSA-N 2 2 337.464 1.717 20 0 EDADLP COCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccco1 ZINC000114455128 441658135 /nfs/dbraw/zinc/65/81/35/441658135.db2.gz XCSJOOIXKCKRBH-UHFFFAOYSA-N 2 2 337.464 1.717 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000076745758 441682704 /nfs/dbraw/zinc/68/27/04/441682704.db2.gz WVNHZIUBAIHSLM-HNNXBMFYSA-N 2 2 347.463 1.238 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158617100 441751136 /nfs/dbraw/zinc/75/11/36/441751136.db2.gz PBSBBJKTHOCNPT-MRXNPFEDSA-N 2 2 336.436 1.213 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158617100 441751142 /nfs/dbraw/zinc/75/11/42/441751142.db2.gz PBSBBJKTHOCNPT-MRXNPFEDSA-N 2 2 336.436 1.213 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000139448569 441816921 /nfs/dbraw/zinc/81/69/21/441816921.db2.gz LSPNDXUMNMPGGP-HOTGVXAUSA-N 2 2 327.432 1.903 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000139448569 441816926 /nfs/dbraw/zinc/81/69/26/441816926.db2.gz LSPNDXUMNMPGGP-HOTGVXAUSA-N 2 2 327.432 1.903 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823194 441827459 /nfs/dbraw/zinc/82/74/59/441827459.db2.gz IHRDPYDZMANXIL-IRXDYDNUSA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823194 441827467 /nfs/dbraw/zinc/82/74/67/441827467.db2.gz IHRDPYDZMANXIL-IRXDYDNUSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823194 441827474 /nfs/dbraw/zinc/82/74/74/441827474.db2.gz IHRDPYDZMANXIL-IRXDYDNUSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823194 441827482 /nfs/dbraw/zinc/82/74/82/441827482.db2.gz IHRDPYDZMANXIL-IRXDYDNUSA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+](CCn1cccn1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000069517903 441960778 /nfs/dbraw/zinc/96/07/78/441960778.db2.gz CZCSYERCZIHPKL-UHFFFAOYSA-N 2 2 341.459 1.159 20 0 EDADLP C[N@@H+](CCn1cccn1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000069517903 441960784 /nfs/dbraw/zinc/96/07/84/441960784.db2.gz CZCSYERCZIHPKL-UHFFFAOYSA-N 2 2 341.459 1.159 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1F ZINC000174764069 441966718 /nfs/dbraw/zinc/96/67/18/441966718.db2.gz JTRZVAUHDDJJSH-MRXNPFEDSA-N 2 2 332.379 1.267 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000174764069 441966722 /nfs/dbraw/zinc/96/67/22/441966722.db2.gz JTRZVAUHDDJJSH-MRXNPFEDSA-N 2 2 332.379 1.267 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174889853 441980260 /nfs/dbraw/zinc/98/02/60/441980260.db2.gz HUJHASQNVRHNAF-ROUUACIJSA-N 2 2 338.540 1.639 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCn2ccnc21 ZINC000175153319 442009747 /nfs/dbraw/zinc/00/97/47/442009747.db2.gz KWIMYTMBACIXJG-INIZCTEOSA-N 2 2 333.480 1.245 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCn2ccnc21 ZINC000175153319 442009752 /nfs/dbraw/zinc/00/97/52/442009752.db2.gz KWIMYTMBACIXJG-INIZCTEOSA-N 2 2 333.480 1.245 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000151159953 442017043 /nfs/dbraw/zinc/01/70/43/442017043.db2.gz OTDIHFDCKOWIRA-ZDUSSCGKSA-N 2 2 333.484 1.513 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000151159953 442017045 /nfs/dbraw/zinc/01/70/45/442017045.db2.gz OTDIHFDCKOWIRA-ZDUSSCGKSA-N 2 2 333.484 1.513 20 0 EDADLP Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162432690 442092308 /nfs/dbraw/zinc/09/23/08/442092308.db2.gz LVATUBBWUITFQF-CYBMUJFWSA-N 2 2 334.445 1.355 20 0 EDADLP Cc1oc(-c2ccsc2)nc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162432690 442092314 /nfs/dbraw/zinc/09/23/14/442092314.db2.gz LVATUBBWUITFQF-CYBMUJFWSA-N 2 2 334.445 1.355 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000079610967 442068981 /nfs/dbraw/zinc/06/89/81/442068981.db2.gz RLUQJBKBWJAQBD-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000079610967 442068988 /nfs/dbraw/zinc/06/89/88/442068988.db2.gz RLUQJBKBWJAQBD-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000126036159 442071525 /nfs/dbraw/zinc/07/15/25/442071525.db2.gz VRQSGLPBRQOWPP-INIZCTEOSA-N 2 2 329.448 1.398 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000126036159 442071532 /nfs/dbraw/zinc/07/15/32/442071532.db2.gz VRQSGLPBRQOWPP-INIZCTEOSA-N 2 2 329.448 1.398 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCSc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000162289000 442080910 /nfs/dbraw/zinc/08/09/10/442080910.db2.gz JIXXSOAYTWZFDD-LBPRGKRZSA-N 2 2 327.881 1.924 20 0 EDADLP C[N@H+]1CCN(C(=O)CCSc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000162289000 442080913 /nfs/dbraw/zinc/08/09/13/442080913.db2.gz JIXXSOAYTWZFDD-LBPRGKRZSA-N 2 2 327.881 1.924 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000175778330 442121169 /nfs/dbraw/zinc/12/11/69/442121169.db2.gz KDDZTZYSYVUUNM-OAHLLOKOSA-N 2 2 347.463 1.011 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151831983 442127116 /nfs/dbraw/zinc/12/71/16/442127116.db2.gz CHZKBIBUPWSXMW-OAHLLOKOSA-N 2 2 342.443 1.702 20 0 EDADLP COC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccco1 ZINC000175841555 442132712 /nfs/dbraw/zinc/13/27/12/442132712.db2.gz AGBSXQVEDSJSLL-HNNXBMFYSA-N 2 2 338.452 1.292 20 0 EDADLP CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000126693859 442135004 /nfs/dbraw/zinc/13/50/04/442135004.db2.gz VVABPGOLJRBUCW-CGTJXYLNSA-N 2 2 330.476 1.893 20 0 EDADLP CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000126693859 442135005 /nfs/dbraw/zinc/13/50/05/442135005.db2.gz VVABPGOLJRBUCW-CGTJXYLNSA-N 2 2 330.476 1.893 20 0 EDADLP CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1)[NH+](C)C ZINC000126402150 442108091 /nfs/dbraw/zinc/10/80/91/442108091.db2.gz XNTPEANOGDTZQN-LJQANCHMSA-N 2 2 346.519 1.781 20 0 EDADLP Cc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000097000192 442154384 /nfs/dbraw/zinc/15/43/84/442154384.db2.gz AFMUZEZDTBMZAJ-UHFFFAOYSA-N 2 2 345.534 1.703 20 0 EDADLP Cc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000097000192 442154388 /nfs/dbraw/zinc/15/43/88/442154388.db2.gz AFMUZEZDTBMZAJ-UHFFFAOYSA-N 2 2 345.534 1.703 20 0 EDADLP Cc1cc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[nH]n1 ZINC000120943548 442155764 /nfs/dbraw/zinc/15/57/64/442155764.db2.gz AURXIJUKOHKFLK-UHFFFAOYSA-N 2 2 333.480 1.327 20 0 EDADLP Cc1cc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n[nH]1 ZINC000120943548 442155767 /nfs/dbraw/zinc/15/57/67/442155767.db2.gz AURXIJUKOHKFLK-UHFFFAOYSA-N 2 2 333.480 1.327 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](CCO)C(C)C)CC2)cc1 ZINC000176361583 442214719 /nfs/dbraw/zinc/21/47/19/442214719.db2.gz BDVKMVXWZZSXLG-UHFFFAOYSA-N 2 2 349.475 1.042 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](CCO)C(C)C)CC2)cc1 ZINC000176361583 442214722 /nfs/dbraw/zinc/21/47/22/442214722.db2.gz BDVKMVXWZZSXLG-UHFFFAOYSA-N 2 2 349.475 1.042 20 0 EDADLP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000128246606 442255103 /nfs/dbraw/zinc/25/51/03/442255103.db2.gz APRPGVJQVJOISA-SFHVURJKSA-N 2 2 336.524 1.537 20 0 EDADLP C[N@H+]1CCC[C@H]1CCN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000128246606 442255107 /nfs/dbraw/zinc/25/51/07/442255107.db2.gz APRPGVJQVJOISA-SFHVURJKSA-N 2 2 336.524 1.537 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000128246606 442255109 /nfs/dbraw/zinc/25/51/09/442255109.db2.gz APRPGVJQVJOISA-SFHVURJKSA-N 2 2 336.524 1.537 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000128246606 442255112 /nfs/dbraw/zinc/25/51/12/442255112.db2.gz APRPGVJQVJOISA-SFHVURJKSA-N 2 2 336.524 1.537 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000167529490 442221589 /nfs/dbraw/zinc/22/15/89/442221589.db2.gz YYVZRVDHNJEVGQ-XIRDDKMYSA-N 2 2 347.463 1.075 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000153209286 442268205 /nfs/dbraw/zinc/26/82/05/442268205.db2.gz DJBIVABDAYCVCU-HZPDHXFCSA-N 2 2 331.464 1.644 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000153209286 442268208 /nfs/dbraw/zinc/26/82/08/442268208.db2.gz DJBIVABDAYCVCU-HZPDHXFCSA-N 2 2 331.464 1.644 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000128699313 442282651 /nfs/dbraw/zinc/28/26/51/442282651.db2.gz KRWVIAUIKXPVPU-ZTFGCOKTSA-N 2 2 348.466 1.722 20 0 EDADLP COc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc(OC)c1C ZINC000177121007 442300523 /nfs/dbraw/zinc/30/05/23/442300523.db2.gz ULQRQVDQNVVZMI-UHFFFAOYSA-N 2 2 349.475 1.768 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCC(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000129731813 442329740 /nfs/dbraw/zinc/32/97/40/442329740.db2.gz RYMXNPFQGXMQSK-WBVHZDCISA-N 2 2 340.427 1.765 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000129731813 442329741 /nfs/dbraw/zinc/32/97/41/442329741.db2.gz RYMXNPFQGXMQSK-WBVHZDCISA-N 2 2 340.427 1.765 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379693 442334014 /nfs/dbraw/zinc/33/40/14/442334014.db2.gz ZTNVQXZUGUBZMM-OAHLLOKOSA-N 2 2 326.529 1.638 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379693 442334017 /nfs/dbraw/zinc/33/40/17/442334017.db2.gz ZTNVQXZUGUBZMM-OAHLLOKOSA-N 2 2 326.529 1.638 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177379693 442334019 /nfs/dbraw/zinc/33/40/19/442334019.db2.gz ZTNVQXZUGUBZMM-OAHLLOKOSA-N 2 2 326.529 1.638 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177379693 442334020 /nfs/dbraw/zinc/33/40/20/442334020.db2.gz ZTNVQXZUGUBZMM-OAHLLOKOSA-N 2 2 326.529 1.638 20 0 EDADLP CC[C@@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000130284369 442342266 /nfs/dbraw/zinc/34/22/66/442342266.db2.gz AZJYFQCCHWKAPA-HUUCEWRRSA-N 2 2 332.404 1.380 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)c[nH+]1 ZINC000154489728 442342617 /nfs/dbraw/zinc/34/26/17/442342617.db2.gz ZIPPBGSAKKDVMC-HNNXBMFYSA-N 2 2 336.505 1.981 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)c[nH+]1 ZINC000154489728 442342620 /nfs/dbraw/zinc/34/26/20/442342620.db2.gz ZIPPBGSAKKDVMC-HNNXBMFYSA-N 2 2 336.505 1.981 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000130346048 442344673 /nfs/dbraw/zinc/34/46/73/442344673.db2.gz ALLYOTLXKMSSLA-KRWDZBQOSA-N 2 2 331.460 1.729 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)[C@H](C)C1 ZINC000130501826 442348597 /nfs/dbraw/zinc/34/85/97/442348597.db2.gz QGOTYCLUKNWGMO-QAPCUYQASA-N 2 2 349.523 1.727 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)[C@H](C)C1 ZINC000130501826 442348598 /nfs/dbraw/zinc/34/85/98/442348598.db2.gz QGOTYCLUKNWGMO-QAPCUYQASA-N 2 2 349.523 1.727 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)[C@H](C)C1 ZINC000130501826 442348599 /nfs/dbraw/zinc/34/85/99/442348599.db2.gz QGOTYCLUKNWGMO-QAPCUYQASA-N 2 2 349.523 1.727 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)[C@H](C)C1 ZINC000130501826 442348600 /nfs/dbraw/zinc/34/86/00/442348600.db2.gz QGOTYCLUKNWGMO-QAPCUYQASA-N 2 2 349.523 1.727 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171100345 442311684 /nfs/dbraw/zinc/31/16/84/442311684.db2.gz BTGRHUWBJCUEQI-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171100345 442311685 /nfs/dbraw/zinc/31/16/85/442311685.db2.gz BTGRHUWBJCUEQI-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1CCC[NH+](CCNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000171100345 442311687 /nfs/dbraw/zinc/31/16/87/442311687.db2.gz BTGRHUWBJCUEQI-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1CCC[NH+](CCNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000171100345 442311688 /nfs/dbraw/zinc/31/16/88/442311688.db2.gz BTGRHUWBJCUEQI-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP COCC[N@H+](C)CCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000171127254 442316962 /nfs/dbraw/zinc/31/69/62/442316962.db2.gz KEIVPASZSIBDOB-UHFFFAOYSA-N 2 2 334.464 1.301 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000171127254 442316966 /nfs/dbraw/zinc/31/69/66/442316966.db2.gz KEIVPASZSIBDOB-UHFFFAOYSA-N 2 2 334.464 1.301 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000131617068 442375860 /nfs/dbraw/zinc/37/58/60/442375860.db2.gz DURYBJWKBHSTOW-MRXNPFEDSA-N 2 2 339.505 1.711 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000131617068 442375861 /nfs/dbraw/zinc/37/58/61/442375861.db2.gz DURYBJWKBHSTOW-MRXNPFEDSA-N 2 2 339.505 1.711 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000131617068 442375866 /nfs/dbraw/zinc/37/58/66/442375866.db2.gz DURYBJWKBHSTOW-MRXNPFEDSA-N 2 2 339.505 1.711 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000131617068 442375869 /nfs/dbraw/zinc/37/58/69/442375869.db2.gz DURYBJWKBHSTOW-MRXNPFEDSA-N 2 2 339.505 1.711 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cnn(C)c1 ZINC000155167571 442378992 /nfs/dbraw/zinc/37/89/92/442378992.db2.gz AONFSECUSDGCEC-MRXNPFEDSA-N 2 2 344.459 1.982 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132112122 442387184 /nfs/dbraw/zinc/38/71/84/442387184.db2.gz RSBPGXANDAVRIG-LSDHHAIUSA-N 2 2 327.469 1.696 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132112122 442387186 /nfs/dbraw/zinc/38/71/86/442387186.db2.gz RSBPGXANDAVRIG-LSDHHAIUSA-N 2 2 327.469 1.696 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000178328784 442424932 /nfs/dbraw/zinc/42/49/32/442424932.db2.gz FYUZXWCVDUPSAW-OAHLLOKOSA-N 2 2 337.430 1.960 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000178328784 442424937 /nfs/dbraw/zinc/42/49/37/442424937.db2.gz FYUZXWCVDUPSAW-OAHLLOKOSA-N 2 2 337.430 1.960 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000172220249 442425397 /nfs/dbraw/zinc/42/53/97/442425397.db2.gz QHJMSCUOYOKGQH-MRXNPFEDSA-N 2 2 342.447 1.757 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000155887274 442434347 /nfs/dbraw/zinc/43/43/47/442434347.db2.gz OITOLXVROPUUAH-UHFFFAOYSA-N 2 2 332.448 1.875 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@H](C)[C@@H]2C)CC1 ZINC000178591502 442446608 /nfs/dbraw/zinc/44/66/08/442446608.db2.gz KSLNROCBZMPOJH-ZWKOTPCHSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@H](C)[C@@H]2C)CC1 ZINC000178591502 442446609 /nfs/dbraw/zinc/44/66/09/442446609.db2.gz KSLNROCBZMPOJH-ZWKOTPCHSA-N 2 2 345.487 1.748 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000186267695 442500376 /nfs/dbraw/zinc/50/03/76/442500376.db2.gz FMVGDQZMAOVWMQ-DZGCQCFKSA-N 2 2 331.420 1.876 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000186267695 442500379 /nfs/dbraw/zinc/50/03/79/442500379.db2.gz FMVGDQZMAOVWMQ-DZGCQCFKSA-N 2 2 331.420 1.876 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1cccnc1 ZINC000179517494 442470295 /nfs/dbraw/zinc/47/02/95/442470295.db2.gz RCEAPYCMQRRPOD-MRXNPFEDSA-N 2 2 339.443 1.646 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1cccnc1 ZINC000179517494 442470301 /nfs/dbraw/zinc/47/03/01/442470301.db2.gz RCEAPYCMQRRPOD-MRXNPFEDSA-N 2 2 339.443 1.646 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)[nH+]1 ZINC000156427451 442479664 /nfs/dbraw/zinc/47/96/64/442479664.db2.gz NGLKLNOILZDSJF-HNNXBMFYSA-N 2 2 339.443 1.934 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172934797 442570119 /nfs/dbraw/zinc/57/01/19/442570119.db2.gz NPQZGYKZKLSTCD-SJLPKXTDSA-N 2 2 331.460 1.470 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172934797 442570122 /nfs/dbraw/zinc/57/01/22/442570122.db2.gz NPQZGYKZKLSTCD-SJLPKXTDSA-N 2 2 331.460 1.470 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000192088883 442589465 /nfs/dbraw/zinc/58/94/65/442589465.db2.gz IOIAEEOJJCVBLF-UONOGXRCSA-N 2 2 339.867 1.846 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000186708595 442597029 /nfs/dbraw/zinc/59/70/29/442597029.db2.gz LIJUKMNKBMLADY-BEFAXECRSA-N 2 2 346.475 1.699 20 0 EDADLP CC1CC[NH+](CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000135454951 442597686 /nfs/dbraw/zinc/59/76/86/442597686.db2.gz ULPPMGCBTFTTAW-UHFFFAOYSA-N 3 2 336.524 1.393 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000158070837 442643109 /nfs/dbraw/zinc/64/31/09/442643109.db2.gz NPZGIKIPAVMPQF-SJLPKXTDSA-N 2 2 334.460 1.903 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000158070837 442643115 /nfs/dbraw/zinc/64/31/15/442643115.db2.gz NPZGIKIPAVMPQF-SJLPKXTDSA-N 2 2 334.460 1.903 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000158070837 442643119 /nfs/dbraw/zinc/64/31/19/442643119.db2.gz NPZGIKIPAVMPQF-SJLPKXTDSA-N 2 2 334.460 1.903 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000158070837 442643122 /nfs/dbraw/zinc/64/31/22/442643122.db2.gz NPZGIKIPAVMPQF-SJLPKXTDSA-N 2 2 334.460 1.903 20 0 EDADLP CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)[NH+](C)C ZINC000187141235 442656043 /nfs/dbraw/zinc/65/60/43/442656043.db2.gz CXWHRLQBXJASEK-SFHVURJKSA-N 2 2 346.475 1.629 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1O ZINC000186825981 442617001 /nfs/dbraw/zinc/61/70/01/442617001.db2.gz VOALNMSLMWRDKT-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1O ZINC000186825981 442617003 /nfs/dbraw/zinc/61/70/03/442617003.db2.gz VOALNMSLMWRDKT-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP CCN(C[C@@H]1CCCO1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179315412 442619261 /nfs/dbraw/zinc/61/92/61/442619261.db2.gz NUJKINLJHBYGCS-INIZCTEOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000181022558 442675227 /nfs/dbraw/zinc/67/52/27/442675227.db2.gz QOALFWNVVMZNLD-CABCVRRESA-N 2 2 337.489 1.722 20 0 EDADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181030984 442676484 /nfs/dbraw/zinc/67/64/84/442676484.db2.gz CQBIVINIKMNOEU-CRAIPNDOSA-N 2 2 349.450 1.279 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NCc2c[nH+]cn2C)CC1 ZINC000187524867 442679960 /nfs/dbraw/zinc/67/99/60/442679960.db2.gz WRQXIVZCJHDIGB-UHFFFAOYSA-N 2 2 327.432 1.696 20 0 EDADLP CC(C)[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180784841 442659013 /nfs/dbraw/zinc/65/90/13/442659013.db2.gz ZGLUBGMBFHJFPO-HZPDHXFCSA-N 2 2 333.480 1.916 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)CC(C)C ZINC000193145706 442717046 /nfs/dbraw/zinc/71/70/46/442717046.db2.gz OUHLEHRCBRHGMJ-DLBZAZTESA-N 2 2 342.528 1.763 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)CC[C@@H](C)[NH3+])c2[nH+]ccn2C)c1 ZINC000193293502 442730488 /nfs/dbraw/zinc/73/04/88/442730488.db2.gz MCZPGMYOSFXHPW-PXAZEXFGSA-N 2 2 346.431 1.770 20 0 EDADLP C[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000188440142 442750127 /nfs/dbraw/zinc/75/01/27/442750127.db2.gz JXRBVHQYXJGMAA-CABCVRRESA-N 2 2 334.439 1.157 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1(C)C ZINC000188111150 442712907 /nfs/dbraw/zinc/71/29/07/442712907.db2.gz ZYPQMPVMGJNFOC-KDOFPFPSSA-N 2 2 343.431 1.416 20 0 EDADLP C[NH+]1CCC[C@@H]2C[NH+](CCN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000246931119 442822378 /nfs/dbraw/zinc/82/23/78/442822378.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2C[NH+](CCN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000246931119 442822381 /nfs/dbraw/zinc/82/23/81/442822381.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@H]2CN(CC[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000246931119 442822384 /nfs/dbraw/zinc/82/23/84/442822384.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@H]2CN(CC[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000246931119 442822386 /nfs/dbraw/zinc/82/23/86/442822386.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@H]2C[NH+](CCN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000246931119 442822390 /nfs/dbraw/zinc/82/23/90/442822390.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@H]2C[NH+](CCN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000246931119 442822394 /nfs/dbraw/zinc/82/23/94/442822394.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CCN3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000246931119 442822397 /nfs/dbraw/zinc/82/23/97/442822397.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CCN3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000246931119 442822400 /nfs/dbraw/zinc/82/24/00/442822400.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 3 2 334.552 1.819 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000268077104 442838625 /nfs/dbraw/zinc/83/86/25/442838625.db2.gz FFHSANZWXYOSMV-OAHLLOKOSA-N 2 2 331.464 1.177 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000268077104 442838628 /nfs/dbraw/zinc/83/86/28/442838628.db2.gz FFHSANZWXYOSMV-OAHLLOKOSA-N 2 2 331.464 1.177 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183113010 442881895 /nfs/dbraw/zinc/88/18/95/442881895.db2.gz OZYUQHNCFSBAEC-UHFFFAOYSA-N 2 2 343.431 1.413 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC[N@@H+]1C ZINC000189157485 442888558 /nfs/dbraw/zinc/88/85/58/442888558.db2.gz FFLJFHTXFJFLGE-ZFWWWQNUSA-N 2 2 326.462 1.025 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC[N@H+]1C ZINC000189157485 442888561 /nfs/dbraw/zinc/88/85/61/442888561.db2.gz FFLJFHTXFJFLGE-ZFWWWQNUSA-N 2 2 326.462 1.025 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1(C)C ZINC000181464382 318484326 /nfs/dbraw/zinc/48/43/26/318484326.db2.gz HKSUQPYZZVNBBE-IAGOWNOFSA-N 2 2 347.507 1.782 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000248583569 442902154 /nfs/dbraw/zinc/90/21/54/442902154.db2.gz PIMDFQJEEWTIAD-RBUKOAKNSA-N 2 2 345.487 1.219 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000248583569 442902159 /nfs/dbraw/zinc/90/21/59/442902159.db2.gz PIMDFQJEEWTIAD-RBUKOAKNSA-N 2 2 345.487 1.219 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C[C@@H]1[NH+](C)C ZINC000268326496 442949138 /nfs/dbraw/zinc/94/91/38/442949138.db2.gz DGBSBXSKZSVDNC-HOCLYGCPSA-N 2 2 347.463 1.010 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000194753025 442949423 /nfs/dbraw/zinc/94/94/23/442949423.db2.gz OVIYZCRFXASMBT-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000194753025 442949431 /nfs/dbraw/zinc/94/94/31/442949431.db2.gz OVIYZCRFXASMBT-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP COC[C@@H](C)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000187828789 318557089 /nfs/dbraw/zinc/55/70/89/318557089.db2.gz QQGPJVCXHYIMSU-JKSUJKDBSA-N 2 2 349.479 1.154 20 0 EDADLP CC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000189636019 442988228 /nfs/dbraw/zinc/98/82/28/442988228.db2.gz XSGIHXUMSMTNIP-SFHVURJKSA-N 2 2 335.448 1.161 20 0 EDADLP CC[C@@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000189636019 442988231 /nfs/dbraw/zinc/98/82/31/442988231.db2.gz XSGIHXUMSMTNIP-SFHVURJKSA-N 2 2 335.448 1.161 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000251083808 443013649 /nfs/dbraw/zinc/01/36/49/443013649.db2.gz IOUSZLDVGHVMCP-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000251083808 443013652 /nfs/dbraw/zinc/01/36/52/443013652.db2.gz IOUSZLDVGHVMCP-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]c3ccsc32)CC1)N1CCOCC1 ZINC000266155067 443037725 /nfs/dbraw/zinc/03/77/25/443037725.db2.gz VAEPSZVMJVTWHQ-UHFFFAOYSA-N 2 2 346.456 1.277 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184230940 443004147 /nfs/dbraw/zinc/00/41/47/443004147.db2.gz XUQNHPJSKZXMID-UHFFFAOYSA-N 2 2 325.416 1.895 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)C[NH2+]C2CC2)c2[nH+]ccn2C)c1 ZINC000237369838 443169490 /nfs/dbraw/zinc/16/94/90/443169490.db2.gz BIUBUINYGZSTIC-KRWDZBQOSA-N 2 2 344.415 1.395 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000237825560 443183436 /nfs/dbraw/zinc/18/34/36/443183436.db2.gz BBRFTTQHTMXBCK-WBVHZDCISA-N 2 2 335.473 1.011 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCOCC(F)F)CC2)CC1 ZINC000190784521 443183621 /nfs/dbraw/zinc/18/36/21/443183621.db2.gz SITRUNGVQLAFRK-UHFFFAOYSA-N 2 2 333.423 1.333 20 0 EDADLP Cn1cc([C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)c2ccc(F)cc2)cn1 ZINC000185446170 443200674 /nfs/dbraw/zinc/20/06/74/443200674.db2.gz IZTKSHHTFFWOQJ-GOSISDBHSA-N 2 2 345.422 1.012 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)[nH+]c2c1 ZINC000266672864 443203683 /nfs/dbraw/zinc/20/36/83/443203683.db2.gz AZPIUEZNUTUPTA-MRXNPFEDSA-N 2 2 325.416 1.798 20 0 EDADLP COc1ccnc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1OC ZINC000190909232 443208035 /nfs/dbraw/zinc/20/80/35/443208035.db2.gz AVPZKDUGTWTEPJ-INIZCTEOSA-N 2 2 348.491 1.701 20 0 EDADLP COc1ccnc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1OC ZINC000190909232 443208040 /nfs/dbraw/zinc/20/80/40/443208040.db2.gz AVPZKDUGTWTEPJ-INIZCTEOSA-N 2 2 348.491 1.701 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)c[nH+]1 ZINC000269147587 443213321 /nfs/dbraw/zinc/21/33/21/443213321.db2.gz QKLJIKZZEUTFPM-MRXNPFEDSA-N 2 2 332.448 1.407 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)c[nH+]1 ZINC000269147587 443213325 /nfs/dbraw/zinc/21/33/25/443213325.db2.gz QKLJIKZZEUTFPM-MRXNPFEDSA-N 2 2 332.448 1.407 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C3CC[NH+](C)CC3)c[nH+]2)CCO1 ZINC000266807533 443250016 /nfs/dbraw/zinc/25/00/16/443250016.db2.gz GOGQHCDRBQYAJG-AWEZNQCLSA-N 2 2 332.448 1.265 20 0 EDADLP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000399503043 319137757 /nfs/dbraw/zinc/13/77/57/319137757.db2.gz JIUYSELRWSHROL-QAPCUYQASA-N 2 2 333.476 1.754 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266810758 443252029 /nfs/dbraw/zinc/25/20/29/443252029.db2.gz FWLONAOFIAKTCD-SJLPKXTDSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266810758 443252032 /nfs/dbraw/zinc/25/20/32/443252032.db2.gz FWLONAOFIAKTCD-SJLPKXTDSA-N 2 2 333.476 1.422 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)[C@@H]3CCCCNC3=O)CCC[NH+]2C)cn1 ZINC000411584367 319185754 /nfs/dbraw/zinc/18/57/54/319185754.db2.gz PXKOHCYWAJDVFK-USXIJHARSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)[C@@H]3CCCCNC3=O)CCC[NH+]2C)cn1 ZINC000411584367 319185755 /nfs/dbraw/zinc/18/57/55/319185755.db2.gz PXKOHCYWAJDVFK-USXIJHARSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)[C@@H]3CCCCNC3=O)CCC[N@@H+]2C)cn1 ZINC000411584367 319185757 /nfs/dbraw/zinc/18/57/57/319185757.db2.gz PXKOHCYWAJDVFK-USXIJHARSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)[C@@H]3CCCCNC3=O)CCC[N@H+]2C)cn1 ZINC000411584367 319185758 /nfs/dbraw/zinc/18/57/58/319185758.db2.gz PXKOHCYWAJDVFK-USXIJHARSA-N 2 2 333.480 1.404 20 0 EDADLP CN(C(=O)C[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1)C1CCCCC1 ZINC000414685995 319342077 /nfs/dbraw/zinc/34/20/77/319342077.db2.gz AFPHGVANYPIVOK-UHFFFAOYSA-N 2 2 338.540 1.783 20 0 EDADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1[NH3+] ZINC000415838251 319376713 /nfs/dbraw/zinc/37/67/13/319376713.db2.gz ZSUJJOONBQMUDW-LRDDRELGSA-N 2 2 340.383 1.618 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000269303161 443273729 /nfs/dbraw/zinc/27/37/29/443273729.db2.gz ZBNDMBYPFNWSRW-CZUORRHYSA-N 2 2 347.463 1.640 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000246188967 443277398 /nfs/dbraw/zinc/27/73/98/443277398.db2.gz IDPRAZXFMBMACI-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000246188967 443277399 /nfs/dbraw/zinc/27/73/99/443277399.db2.gz IDPRAZXFMBMACI-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266924486 443292254 /nfs/dbraw/zinc/29/22/54/443292254.db2.gz MXLYXMMHFSNMIW-MRXNPFEDSA-N 2 2 345.491 1.937 20 0 EDADLP CCOCCN(CC)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269275539 443262240 /nfs/dbraw/zinc/26/22/40/443262240.db2.gz ZPVUZBLWRMHISP-SFHVURJKSA-N 2 2 344.459 1.686 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCSC1 ZINC000267106860 443343677 /nfs/dbraw/zinc/34/36/77/443343677.db2.gz MDEPPTLRBXZDRO-INIZCTEOSA-N 2 2 331.445 1.434 20 0 EDADLP [NH3+]C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000416808763 319461872 /nfs/dbraw/zinc/46/18/72/319461872.db2.gz ACEWIEQQWSPCTC-UONOGXRCSA-N 2 2 338.477 1.158 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000416808765 319462007 /nfs/dbraw/zinc/46/20/07/319462007.db2.gz ACEWIEQQWSPCTC-ZIAGYGMSSA-N 2 2 338.477 1.158 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416889284 319469872 /nfs/dbraw/zinc/46/98/72/319469872.db2.gz RDZDBKHGEZVVSK-RDJZCZTQSA-N 2 2 334.464 1.275 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C)c2cc1C ZINC000264559246 443325943 /nfs/dbraw/zinc/32/59/43/443325943.db2.gz NYSXJENSRBMPAW-XJKSGUPXSA-N 2 2 332.448 1.504 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000267191261 443372551 /nfs/dbraw/zinc/37/25/51/443372551.db2.gz BKJRPGYCHSHWJA-UHFFFAOYSA-N 2 2 344.459 1.327 20 0 EDADLP C[N@@H+]1CCN(CC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1(C)C ZINC000282506006 443359128 /nfs/dbraw/zinc/35/91/28/443359128.db2.gz YLGDGGJYHYTAHH-MRXNPFEDSA-N 2 2 328.464 1.510 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000267187958 443371674 /nfs/dbraw/zinc/37/16/74/443371674.db2.gz JQQGPNZIOUQZGA-QGZVFWFLSA-N 2 2 328.416 1.532 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC1 ZINC000267381203 443437561 /nfs/dbraw/zinc/43/75/61/443437561.db2.gz VMHJDWGNIPVAQV-UHFFFAOYSA-N 2 2 332.448 1.159 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)NCc2cn3ccccc3[nH+]2)CCSC1 ZINC000267251965 443393950 /nfs/dbraw/zinc/39/39/50/443393950.db2.gz ZUSVPYYNROWZGT-MRXNPFEDSA-N 2 2 333.461 1.571 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@H+](C)CC1 ZINC000272781065 443442281 /nfs/dbraw/zinc/44/22/81/443442281.db2.gz RLGVCTYNSZUNMX-GOEBONIOSA-N 2 2 329.448 1.610 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1=CC[N@@H+](C)CC1 ZINC000272781065 443442284 /nfs/dbraw/zinc/44/22/84/443442284.db2.gz RLGVCTYNSZUNMX-GOEBONIOSA-N 2 2 329.448 1.610 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+]1CCSCC1 ZINC000269719886 443410146 /nfs/dbraw/zinc/41/01/46/443410146.db2.gz XATXNNKHXQWQSU-OAHLLOKOSA-N 2 2 344.484 1.985 20 0 EDADLP CN(C)c1ccc(CCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000267300109 443410401 /nfs/dbraw/zinc/41/04/01/443410401.db2.gz XKJASYDRDLTIRO-UHFFFAOYSA-N 2 2 346.519 1.827 20 0 EDADLP Cn1nncc1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000267532102 443487774 /nfs/dbraw/zinc/48/77/74/443487774.db2.gz SSJYKWZHEBBOCE-UHFFFAOYSA-N 2 2 348.882 1.770 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NCCCNc2cccc[nH+]2)n1C ZINC000267635458 443522004 /nfs/dbraw/zinc/52/20/04/443522004.db2.gz RUZJCPLCMILKJG-UHFFFAOYSA-N 2 2 331.424 1.183 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000272120443 443532871 /nfs/dbraw/zinc/53/28/71/443532871.db2.gz SYHXIMXFJXPNHC-CRAIPNDOSA-N 2 2 349.450 1.452 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)s1 ZINC000423761519 319812450 /nfs/dbraw/zinc/81/24/50/319812450.db2.gz RHFNYXKNNYZLKW-ZNMIVQPWSA-N 2 2 337.489 1.673 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000279423857 443585735 /nfs/dbraw/zinc/58/57/35/443585735.db2.gz LTMRFCLUAFJQKG-WDSOQIARSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC[N@H+]1C ZINC000279423857 443585737 /nfs/dbraw/zinc/58/57/37/443585737.db2.gz LTMRFCLUAFJQKG-WDSOQIARSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000279261320 443543873 /nfs/dbraw/zinc/54/38/73/443543873.db2.gz IFISFUVIOZQBLE-INIZCTEOSA-N 2 2 342.443 1.724 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cn21 ZINC000272192102 443552864 /nfs/dbraw/zinc/55/28/64/443552864.db2.gz KMUANRPGQHQOCE-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cn21 ZINC000272192102 443552867 /nfs/dbraw/zinc/55/28/67/443552867.db2.gz KMUANRPGQHQOCE-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000286105655 443647241 /nfs/dbraw/zinc/64/72/41/443647241.db2.gz NJJJTZBRAFPMRF-WCQYABFASA-N 2 2 339.461 1.525 20 0 EDADLP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000286105655 443647242 /nfs/dbraw/zinc/64/72/42/443647242.db2.gz NJJJTZBRAFPMRF-WCQYABFASA-N 2 2 339.461 1.525 20 0 EDADLP CCCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(N)=O ZINC000286162462 443658802 /nfs/dbraw/zinc/65/88/02/443658802.db2.gz XZIZHMJDSUIEKM-UHFFFAOYSA-N 2 2 332.492 1.786 20 0 EDADLP CCCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(N)=O ZINC000286162462 443658806 /nfs/dbraw/zinc/65/88/06/443658806.db2.gz XZIZHMJDSUIEKM-UHFFFAOYSA-N 2 2 332.492 1.786 20 0 EDADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(=O)[nH]n1 ZINC000286174662 443662335 /nfs/dbraw/zinc/66/23/35/443662335.db2.gz QAYCFHWCYMDOLP-JSGCOSHPSA-N 2 2 328.420 1.478 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000440259189 320066757 /nfs/dbraw/zinc/06/67/57/320066757.db2.gz KESYEIBFUBRVES-NJAFHUGGSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000440259189 320066759 /nfs/dbraw/zinc/06/67/59/320066759.db2.gz KESYEIBFUBRVES-NJAFHUGGSA-N 2 2 335.492 1.573 20 0 EDADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)c1 ZINC000440283727 320069603 /nfs/dbraw/zinc/06/96/03/320069603.db2.gz LYDVKXQLYWRFJL-OAHLLOKOSA-N 2 2 346.475 1.629 20 0 EDADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)c1 ZINC000440283727 320069604 /nfs/dbraw/zinc/06/96/04/320069604.db2.gz LYDVKXQLYWRFJL-OAHLLOKOSA-N 2 2 346.475 1.629 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000449389489 320186490 /nfs/dbraw/zinc/18/64/90/320186490.db2.gz DDMLJWKHNUNBGF-SFHVURJKSA-N 2 2 333.476 1.460 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000449389489 320186494 /nfs/dbraw/zinc/18/64/94/320186494.db2.gz DDMLJWKHNUNBGF-SFHVURJKSA-N 2 2 333.476 1.460 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000449396954 320188336 /nfs/dbraw/zinc/18/83/36/320188336.db2.gz NUDCJHDXPWWBSC-DOTOQJQBSA-N 2 2 349.475 1.849 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000449396954 320188338 /nfs/dbraw/zinc/18/83/38/320188338.db2.gz NUDCJHDXPWWBSC-DOTOQJQBSA-N 2 2 349.475 1.849 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(-n2cncn2)cc1 ZINC000453266349 320261395 /nfs/dbraw/zinc/26/13/95/320261395.db2.gz XKPFCEAXLJJVRU-YJBOKZPZSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(-n2cncn2)cc1 ZINC000453266349 320261396 /nfs/dbraw/zinc/26/13/96/320261396.db2.gz XKPFCEAXLJJVRU-YJBOKZPZSA-N 2 2 329.448 1.765 20 0 EDADLP CC[C@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000457081195 320319306 /nfs/dbraw/zinc/31/93/06/320319306.db2.gz MNUMFGIDLFIIGM-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NC(C)(C)C[NH+]1CCCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000457081195 320319307 /nfs/dbraw/zinc/31/93/07/320319307.db2.gz MNUMFGIDLFIIGM-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000457580488 320329205 /nfs/dbraw/zinc/32/92/05/320329205.db2.gz YZKKXCAIVSVMIU-QKPAOTATSA-N 2 2 340.512 1.608 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000457580488 320329206 /nfs/dbraw/zinc/32/92/06/320329206.db2.gz YZKKXCAIVSVMIU-QKPAOTATSA-N 2 2 340.512 1.608 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@H]1C ZINC000458077551 320336157 /nfs/dbraw/zinc/33/61/57/320336157.db2.gz HMJWWQCWSWOWJE-OAHLLOKOSA-N 2 2 334.464 1.326 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@H]1C ZINC000458077551 320336158 /nfs/dbraw/zinc/33/61/58/320336158.db2.gz HMJWWQCWSWOWJE-OAHLLOKOSA-N 2 2 334.464 1.326 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280145778 443672442 /nfs/dbraw/zinc/67/24/42/443672442.db2.gz COAFQYHZHYWBMP-UHFFFAOYSA-N 2 2 343.431 1.827 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000492135287 320376418 /nfs/dbraw/zinc/37/64/18/320376418.db2.gz VIKJEOMFRZXJBJ-MSOLQXFVSA-N 2 2 348.491 1.699 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000492135287 320376419 /nfs/dbraw/zinc/37/64/19/320376419.db2.gz VIKJEOMFRZXJBJ-MSOLQXFVSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NCC2([NH3+])CCC2)[NH+]2CCOCC2)c1 ZINC000514590200 320429241 /nfs/dbraw/zinc/42/92/41/320429241.db2.gz PVYFDAJWRPCOQY-KRWDZBQOSA-N 2 2 346.475 1.549 20 0 EDADLP O=C1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]([C@@H]2CCCO2)N1 ZINC000518622635 320458882 /nfs/dbraw/zinc/45/88/82/320458882.db2.gz DSPCDZVJTCFDJF-ZOBUZTSGSA-N 2 2 346.456 1.850 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2COc3ccc(F)cc3C2)C[C@@H](C)O1 ZINC000519545170 320467054 /nfs/dbraw/zinc/46/70/54/320467054.db2.gz UZXTZSMAJDFUQH-BQGCOEIASA-N 2 2 338.423 1.189 20 0 EDADLP C[C@H](C[NH2+]Cc1ncc(Br)cc1F)N1CC[NH+](C)CC1 ZINC000527654890 320521795 /nfs/dbraw/zinc/52/17/95/320521795.db2.gz VYSPHJOUCCGLAV-LLVKDONJSA-N 2 2 345.260 1.709 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276700962 443796090 /nfs/dbraw/zinc/79/60/90/443796090.db2.gz VSJALOBIBRNWEN-UHFFFAOYSA-N 2 2 334.423 1.995 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000527824179 320525872 /nfs/dbraw/zinc/52/58/72/320525872.db2.gz XAYYQOHICNRNGB-KRWDZBQOSA-N 2 2 328.416 1.381 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C(C)C ZINC000284170538 443769188 /nfs/dbraw/zinc/76/91/88/443769188.db2.gz UVJIRWDIULMKAD-MRXNPFEDSA-N 2 2 349.479 1.109 20 0 EDADLP Cn1c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nnc1C1CCC1 ZINC000530240467 320617304 /nfs/dbraw/zinc/61/73/04/320617304.db2.gz LRBUOCUGGSZPTA-INIZCTEOSA-N 2 2 333.480 1.673 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)NCc3ccco3)C2)C1 ZINC000292933679 443883360 /nfs/dbraw/zinc/88/33/60/443883360.db2.gz JEPWMKDOKOMCCR-KRWDZBQOSA-N 2 2 334.420 1.023 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)NCc3ccco3)C2)C1 ZINC000292933679 443883363 /nfs/dbraw/zinc/88/33/63/443883363.db2.gz JEPWMKDOKOMCCR-KRWDZBQOSA-N 2 2 334.420 1.023 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC(=O)NCc3ccco3)C2)C1 ZINC000292933679 443883366 /nfs/dbraw/zinc/88/33/66/443883366.db2.gz JEPWMKDOKOMCCR-KRWDZBQOSA-N 2 2 334.420 1.023 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC(=O)NCc3ccco3)C2)C1 ZINC000292933679 443883367 /nfs/dbraw/zinc/88/33/67/443883367.db2.gz JEPWMKDOKOMCCR-KRWDZBQOSA-N 2 2 334.420 1.023 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCCN1CC(F)(F)F ZINC000532989899 320681054 /nfs/dbraw/zinc/68/10/54/320681054.db2.gz OZXDZISFRLDILT-RYUDHWBXSA-N 2 2 330.354 1.903 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000298821378 443877463 /nfs/dbraw/zinc/87/74/63/443877463.db2.gz AYZRQHPINYTYST-CQSZACIVSA-N 2 2 341.415 1.217 20 0 EDADLP C[C@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000299057774 443941805 /nfs/dbraw/zinc/94/18/05/443941805.db2.gz SLASCQLPYDKORM-YOEHRIQHSA-N 2 2 328.416 1.818 20 0 EDADLP C[C@H](CNC(=O)c1ccccc1OCC[NH+](C)C)[NH+]1CCOCC1 ZINC000298918382 443901848 /nfs/dbraw/zinc/90/18/48/443901848.db2.gz FVCSGDPJGGJEIL-OAHLLOKOSA-N 2 2 335.448 1.078 20 0 EDADLP Cc1csc2nc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc(=O)n12 ZINC000293054455 443913175 /nfs/dbraw/zinc/91/31/75/443913175.db2.gz UDZPLFOBWYOABE-QGZVFWFLSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc(=O)n12 ZINC000293054455 443913179 /nfs/dbraw/zinc/91/31/79/443913179.db2.gz UDZPLFOBWYOABE-QGZVFWFLSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc(=O)n12 ZINC000293054455 443913182 /nfs/dbraw/zinc/91/31/82/443913182.db2.gz UDZPLFOBWYOABE-QGZVFWFLSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc(=O)n12 ZINC000293054455 443913188 /nfs/dbraw/zinc/91/31/88/443913188.db2.gz UDZPLFOBWYOABE-QGZVFWFLSA-N 2 2 332.473 1.982 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1=Cc2ccccc2OC1 ZINC000299018129 443929793 /nfs/dbraw/zinc/92/97/93/443929793.db2.gz BPSZDQDDBHJXAH-UHFFFAOYSA-N 2 2 343.471 1.947 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1=Cc2ccccc2OC1 ZINC000299018129 443929797 /nfs/dbraw/zinc/92/97/97/443929797.db2.gz BPSZDQDDBHJXAH-UHFFFAOYSA-N 2 2 343.471 1.947 20 0 EDADLP CC[C@H](C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1)[NH+](C)C ZINC000299149781 443968515 /nfs/dbraw/zinc/96/85/15/443968515.db2.gz YTDCEABILKGHFN-GOSISDBHSA-N 2 2 348.491 1.473 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000548311702 320873335 /nfs/dbraw/zinc/87/33/35/320873335.db2.gz WSWOIEADQZSYFM-NVXWUHKLSA-N 2 2 334.464 1.451 20 0 EDADLP C[C@H]1C[C@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000548424464 320879783 /nfs/dbraw/zinc/87/97/83/320879783.db2.gz LBBZJOAMZITTMK-HOTGVXAUSA-N 2 2 343.471 1.748 20 0 EDADLP C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000289029466 444037959 /nfs/dbraw/zinc/03/79/59/444037959.db2.gz OPCRKSKNZDGJOA-HKUYNNGSSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000289029466 444037963 /nfs/dbraw/zinc/03/79/63/444037963.db2.gz OPCRKSKNZDGJOA-HKUYNNGSSA-N 2 2 345.487 1.424 20 0 EDADLP Cc1noc(CCC[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000289043448 444040928 /nfs/dbraw/zinc/04/09/28/444040928.db2.gz BROIUSQXWOHZLX-CQSZACIVSA-N 2 2 331.420 1.925 20 0 EDADLP Cc1noc(CCC[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000289043448 444040932 /nfs/dbraw/zinc/04/09/32/444040932.db2.gz BROIUSQXWOHZLX-CQSZACIVSA-N 2 2 331.420 1.925 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561009978 321031032 /nfs/dbraw/zinc/03/10/32/321031032.db2.gz JEDGONVQJUKSGT-OKILXGFUSA-N 2 2 343.431 1.652 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000561009978 321031034 /nfs/dbraw/zinc/03/10/34/321031034.db2.gz JEDGONVQJUKSGT-OKILXGFUSA-N 2 2 343.431 1.652 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000561017226 321031758 /nfs/dbraw/zinc/03/17/58/321031758.db2.gz VTEPOLYGRXHCJT-UHFFFAOYSA-N 2 2 343.431 1.509 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[NH+]2CCOCC2)c1 ZINC000561144152 321035110 /nfs/dbraw/zinc/03/51/10/321035110.db2.gz DRTMSOLMGFMIKL-MJGOQNOKSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[NH+]2CCOCC2)c1 ZINC000561144152 321035112 /nfs/dbraw/zinc/03/51/12/321035112.db2.gz DRTMSOLMGFMIKL-MJGOQNOKSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000562810246 321077502 /nfs/dbraw/zinc/07/75/02/321077502.db2.gz BWORGNZBCRLRLM-RYRKJORJSA-N 3 2 347.507 1.271 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000562810246 321077503 /nfs/dbraw/zinc/07/75/03/321077503.db2.gz BWORGNZBCRLRLM-RYRKJORJSA-N 3 2 347.507 1.271 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000562956770 321083330 /nfs/dbraw/zinc/08/33/30/321083330.db2.gz FYCGGGNKRDTZLL-GWCFXTLKSA-N 2 2 349.859 1.345 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cncc(Br)c1 ZINC000564585109 321136420 /nfs/dbraw/zinc/13/64/20/321136420.db2.gz KSFXNDDKDJGAKT-BXUZGUMPSA-N 2 2 328.254 1.951 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C2([NH3+])CCC2)CC1 ZINC000564910695 321155752 /nfs/dbraw/zinc/15/57/52/321155752.db2.gz LDMUYWMPUWDDRU-UHFFFAOYSA-N 2 2 330.476 1.322 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000565041621 321165911 /nfs/dbraw/zinc/16/59/11/321165911.db2.gz WLSHIUZXCYNXFG-SFHVURJKSA-N 3 2 330.476 1.016 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167240 321171898 /nfs/dbraw/zinc/17/18/98/321171898.db2.gz XSTJUCQDLYAABB-XYPHTWIQSA-N 2 2 327.419 1.612 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167240 321171900 /nfs/dbraw/zinc/17/19/00/321171900.db2.gz XSTJUCQDLYAABB-XYPHTWIQSA-N 2 2 327.419 1.612 20 0 EDADLP CC[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167240 321171902 /nfs/dbraw/zinc/17/19/02/321171902.db2.gz XSTJUCQDLYAABB-XYPHTWIQSA-N 2 2 327.419 1.612 20 0 EDADLP CC[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167240 321171903 /nfs/dbraw/zinc/17/19/03/321171903.db2.gz XSTJUCQDLYAABB-XYPHTWIQSA-N 2 2 327.419 1.612 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000565881968 321204988 /nfs/dbraw/zinc/20/49/88/321204988.db2.gz RIWKZJPLTAONKB-FVQBIDKESA-N 2 2 327.432 1.936 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCO1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000565939182 321207264 /nfs/dbraw/zinc/20/72/64/321207264.db2.gz YAWPQBNUXPQKTI-INIZCTEOSA-N 2 2 328.372 1.984 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000565941201 321207367 /nfs/dbraw/zinc/20/73/67/321207367.db2.gz SJOIFLUZPHTPJI-QGZVFWFLSA-N 2 2 346.475 1.665 20 0 EDADLP COc1ccccc1NC(=O)CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000567471700 321242623 /nfs/dbraw/zinc/24/26/23/321242623.db2.gz XGMINVGXXKCLBS-IBGZPJMESA-N 2 2 346.475 1.251 20 0 EDADLP Clc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc2c1OCCO2 ZINC000567642360 321250227 /nfs/dbraw/zinc/25/02/27/321250227.db2.gz OTLPEPCZNWOMAK-JKSUJKDBSA-N 2 2 338.835 1.968 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000567648351 321250385 /nfs/dbraw/zinc/25/03/85/321250385.db2.gz ACXAULAJYXAUKA-JKSUJKDBSA-N 3 2 347.507 1.791 20 0 EDADLP FC(F)(F)c1cnc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc1 ZINC000567895829 321266937 /nfs/dbraw/zinc/26/69/37/321266937.db2.gz ZLGIWWVLTRRJKG-YNEHKIRRSA-N 2 2 330.354 1.742 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)c3cn[nH]c3)CC2)CC1 ZINC000568380351 321288602 /nfs/dbraw/zinc/28/86/02/321288602.db2.gz ZKAWFIHIDLBONB-OAHLLOKOSA-N 2 2 348.495 1.672 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3cn[nH]c3)CC2)CC1 ZINC000568380351 321288603 /nfs/dbraw/zinc/28/86/03/321288603.db2.gz ZKAWFIHIDLBONB-OAHLLOKOSA-N 2 2 348.495 1.672 20 0 EDADLP COCC1(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000568745638 321304577 /nfs/dbraw/zinc/30/45/77/321304577.db2.gz YGMQXUDCDUDDMR-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC(C)[C@H](CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)[NH+]1CCOCC1 ZINC000569921910 321331807 /nfs/dbraw/zinc/33/18/07/321331807.db2.gz MUOPLIOAXYGGQA-ZNMIVQPWSA-N 2 2 335.452 1.545 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570544864 321346761 /nfs/dbraw/zinc/34/67/61/321346761.db2.gz OJSYYSJBWOOHID-QZTJIDSGSA-N 3 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570544864 321346762 /nfs/dbraw/zinc/34/67/62/321346762.db2.gz OJSYYSJBWOOHID-QZTJIDSGSA-N 3 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1ccnc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570544864 321346764 /nfs/dbraw/zinc/34/67/64/321346764.db2.gz OJSYYSJBWOOHID-QZTJIDSGSA-N 2 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1ccnc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570544864 321346766 /nfs/dbraw/zinc/34/67/66/321346766.db2.gz OJSYYSJBWOOHID-QZTJIDSGSA-N 2 2 347.507 1.679 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)[C@@H](C[NH3+])C1 ZINC000570550122 321347188 /nfs/dbraw/zinc/34/71/88/321347188.db2.gz YVGIDYRMAUIAIJ-CABCVRRESA-N 2 2 349.454 1.079 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000571269045 321381820 /nfs/dbraw/zinc/38/18/20/321381820.db2.gz LWJWAOXKXGOWMI-UHFFFAOYSA-N 2 2 348.491 1.911 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000571627810 321394237 /nfs/dbraw/zinc/39/42/37/321394237.db2.gz PRFTTWNRRJOSGA-SFHVURJKSA-N 2 2 335.423 1.396 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000571627810 321394238 /nfs/dbraw/zinc/39/42/38/321394238.db2.gz PRFTTWNRRJOSGA-SFHVURJKSA-N 2 2 335.423 1.396 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C1CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000572723189 321437232 /nfs/dbraw/zinc/43/72/32/321437232.db2.gz FCPMIWMNJRZNEQ-MRXNPFEDSA-N 3 2 345.491 1.373 20 0 EDADLP C[N@H+](C[C@@H](O)CN1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000289446990 444146015 /nfs/dbraw/zinc/14/60/15/444146015.db2.gz ZQHXCGPJEPEPOD-QGZVFWFLSA-N 2 2 337.895 1.913 20 0 EDADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000289446990 444146019 /nfs/dbraw/zinc/14/60/19/444146019.db2.gz ZQHXCGPJEPEPOD-QGZVFWFLSA-N 2 2 337.895 1.913 20 0 EDADLP COCCc1nsc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000301505943 444175841 /nfs/dbraw/zinc/17/58/41/444175841.db2.gz IUJOLUVLVFDKMJ-UHFFFAOYSA-N 2 2 339.509 1.698 20 0 EDADLP C[C@H]1CCC[N@H+](CCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301562537 444180172 /nfs/dbraw/zinc/18/01/72/444180172.db2.gz YGAIPUOBAKQEPT-HOTGVXAUSA-N 2 2 333.480 1.829 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301562537 444180174 /nfs/dbraw/zinc/18/01/74/444180174.db2.gz YGAIPUOBAKQEPT-HOTGVXAUSA-N 2 2 333.480 1.829 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000575982373 321538348 /nfs/dbraw/zinc/53/83/48/321538348.db2.gz VHHMVCXVMHOTJU-CYBMUJFWSA-N 2 2 331.445 1.964 20 0 EDADLP CO[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000576111433 321543068 /nfs/dbraw/zinc/54/30/68/321543068.db2.gz ZRAIEQZZIZNOAZ-JQHSSLGASA-N 2 2 342.443 1.485 20 0 EDADLP CSc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1 ZINC000301819013 444192019 /nfs/dbraw/zinc/19/20/19/444192019.db2.gz FTBGBEHJAJEPBU-YIONKMFJSA-N 2 2 333.505 1.946 20 0 EDADLP CSc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1 ZINC000301819013 444192020 /nfs/dbraw/zinc/19/20/20/444192020.db2.gz FTBGBEHJAJEPBU-YIONKMFJSA-N 2 2 333.505 1.946 20 0 EDADLP Cc1ccc([C@H](O)C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000305138048 444260466 /nfs/dbraw/zinc/26/04/66/444260466.db2.gz PDRATNDZSQCABR-HXUWFJFHSA-N 2 2 347.503 1.415 20 0 EDADLP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000305138048 444260468 /nfs/dbraw/zinc/26/04/68/444260468.db2.gz PDRATNDZSQCABR-HXUWFJFHSA-N 2 2 347.503 1.415 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000305344156 444269162 /nfs/dbraw/zinc/26/91/62/444269162.db2.gz PRQSLDXLPPZFAS-RDJZCZTQSA-N 2 2 335.448 1.017 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000305344156 444269164 /nfs/dbraw/zinc/26/91/64/444269164.db2.gz PRQSLDXLPPZFAS-RDJZCZTQSA-N 2 2 335.448 1.017 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H](O)C[NH+]2CCCCC2)nc[nH+]1 ZINC000302784978 444224182 /nfs/dbraw/zinc/22/41/82/444224182.db2.gz MGHPKBHAYCSXHX-HOTGVXAUSA-N 2 2 349.479 1.087 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H](O)C[NH+]2CCCCC2)[nH+]cn1 ZINC000302784978 444224185 /nfs/dbraw/zinc/22/41/85/444224185.db2.gz MGHPKBHAYCSXHX-HOTGVXAUSA-N 2 2 349.479 1.087 20 0 EDADLP CC(C)[C@@](C)(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000304041611 444240813 /nfs/dbraw/zinc/24/08/13/444240813.db2.gz IROQGVABIIZXMB-SFHVURJKSA-N 2 2 340.512 1.251 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C)c2cc1C ZINC000297590332 444304985 /nfs/dbraw/zinc/30/49/85/444304985.db2.gz JFFWBMRMBDRBJF-KDOFPFPSSA-N 2 2 332.448 1.504 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc[nH+]1 ZINC000297475621 444290458 /nfs/dbraw/zinc/29/04/58/444290458.db2.gz KXVOREXUQFWPFQ-MQVJKMGUSA-N 2 2 344.463 1.242 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc[nH+]1 ZINC000297475621 444290459 /nfs/dbraw/zinc/29/04/59/444290459.db2.gz KXVOREXUQFWPFQ-MQVJKMGUSA-N 2 2 344.463 1.242 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ccc(C[NH+]3CCOCC3)cc2)n1C ZINC000324980011 444360319 /nfs/dbraw/zinc/36/03/19/444360319.db2.gz SDGFTEXTFXBMMU-UHFFFAOYSA-N 2 2 329.448 1.930 20 0 EDADLP CC(C)[C@@](C)(O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000331024718 444362857 /nfs/dbraw/zinc/36/28/57/444362857.db2.gz NWOQWAFMGPYOSQ-QGZVFWFLSA-N 2 2 325.497 1.460 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000328851137 444374358 /nfs/dbraw/zinc/37/43/58/444374358.db2.gz ZLMKOSAHKRWBHN-KRWDZBQOSA-N 2 2 328.416 1.661 20 0 EDADLP O=C(NCCC[NH+]1CCCCCC1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297751753 444329203 /nfs/dbraw/zinc/32/92/03/444329203.db2.gz DWFHIBHJLCKKOJ-UHFFFAOYSA-N 2 2 343.431 1.655 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000297785259 444334276 /nfs/dbraw/zinc/33/42/76/444334276.db2.gz WLDPMXCEXRFUKY-UHFFFAOYSA-N 3 2 341.503 1.712 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298065172 444403584 /nfs/dbraw/zinc/40/35/84/444403584.db2.gz JCWXKVZWAPZYHN-OAHLLOKOSA-N 2 2 343.431 1.654 20 0 EDADLP CC(C)N1CCC[C@H]([NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1=O ZINC000328650888 444414335 /nfs/dbraw/zinc/41/43/35/444414335.db2.gz JGGFFANMAVXJQQ-HNNXBMFYSA-N 2 2 346.479 1.064 20 0 EDADLP c1cc(N[C@H]2CCCOC2)nc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000328697206 444433281 /nfs/dbraw/zinc/43/32/81/444433281.db2.gz LFGIVZHWFLOMJM-HOTGVXAUSA-N 2 2 331.464 1.990 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)[C@@H]2CCCCN12 ZINC000338006347 444484545 /nfs/dbraw/zinc/48/45/45/444484545.db2.gz AOTSMJDBFUZLHU-MSOLQXFVSA-N 2 2 328.460 1.789 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)c2ccn(CC[NH+](C)C)n2)c[nH+]1 ZINC000580343026 322040182 /nfs/dbraw/zinc/04/01/82/322040182.db2.gz GWQWATTZLAEXNQ-UHFFFAOYSA-N 2 2 344.463 1.616 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000581079832 322133750 /nfs/dbraw/zinc/13/37/50/322133750.db2.gz GLTTWLJCTZFZON-WBVHZDCISA-N 2 2 334.464 1.692 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000581079832 322133752 /nfs/dbraw/zinc/13/37/52/322133752.db2.gz GLTTWLJCTZFZON-WBVHZDCISA-N 2 2 334.464 1.692 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000581183940 322146004 /nfs/dbraw/zinc/14/60/04/322146004.db2.gz AVPGRNVSHNTCHZ-UHFFFAOYSA-N 2 2 328.416 1.938 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000581183940 322146007 /nfs/dbraw/zinc/14/60/07/322146007.db2.gz AVPGRNVSHNTCHZ-UHFFFAOYSA-N 2 2 328.416 1.938 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000581225662 322150653 /nfs/dbraw/zinc/15/06/53/322150653.db2.gz CRLBPSXFPOLSAS-UHFFFAOYSA-N 2 2 339.524 1.458 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000581368729 322169793 /nfs/dbraw/zinc/16/97/93/322169793.db2.gz ZYYBGCIROGANDA-SDDRHHMPSA-N 2 2 325.815 1.684 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000581368729 322169796 /nfs/dbraw/zinc/16/97/96/322169796.db2.gz ZYYBGCIROGANDA-SDDRHHMPSA-N 2 2 325.815 1.684 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000581498421 322185487 /nfs/dbraw/zinc/18/54/87/322185487.db2.gz YBBRPSVAHCIKAN-MRXNPFEDSA-N 2 2 339.867 1.733 20 0 EDADLP C[N@H+](CCN1CCCC1=O)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000581787130 322219394 /nfs/dbraw/zinc/21/93/94/322219394.db2.gz VYHFJXVDKORBDI-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP C[N@@H+](CCN1CCCC1=O)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000581787130 322219396 /nfs/dbraw/zinc/21/93/96/322219396.db2.gz VYHFJXVDKORBDI-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)NCC1CC[NH2+]CC1 ZINC000581932726 322234537 /nfs/dbraw/zinc/23/45/37/322234537.db2.gz XSKCWGXFVHDPCZ-UHFFFAOYSA-N 2 2 331.464 1.871 20 0 EDADLP Cc1cc(C)cc(OCC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581998006 322242698 /nfs/dbraw/zinc/24/26/98/322242698.db2.gz OPNGYQRMKYPWMB-FGTMMUONSA-N 2 2 336.476 1.742 20 0 EDADLP Cc1cc(C)cc(OCC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581998006 322242699 /nfs/dbraw/zinc/24/26/99/322242699.db2.gz OPNGYQRMKYPWMB-FGTMMUONSA-N 2 2 336.476 1.742 20 0 EDADLP Cc1cc(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)no1 ZINC000582005678 322244142 /nfs/dbraw/zinc/24/41/42/322244142.db2.gz GEZFJAVKVYMWDP-KRWDZBQOSA-N 2 2 339.399 1.414 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000332809241 444560273 /nfs/dbraw/zinc/56/02/73/444560273.db2.gz LDLGTSRYVUTHRZ-DLTWYDFYSA-N 2 2 335.496 1.505 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000332809241 444560277 /nfs/dbraw/zinc/56/02/77/444560277.db2.gz LDLGTSRYVUTHRZ-DLTWYDFYSA-N 2 2 335.496 1.505 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000332813673 444561414 /nfs/dbraw/zinc/56/14/14/444561414.db2.gz YOCFSJIXRRUKPU-INMHGKMJSA-N 2 2 349.523 1.896 20 0 EDADLP CCCCNc1cc(N2CC[N@H+](CCOCC)[C@@H](C)C2)nc(N)[nH+]1 ZINC000342219992 444572105 /nfs/dbraw/zinc/57/21/05/444572105.db2.gz IGAJLMQAQLPOPS-AWEZNQCLSA-N 2 2 336.484 1.818 20 0 EDADLP CCCCNc1cc(N2CC[N@@H+](CCOCC)[C@@H](C)C2)nc(N)[nH+]1 ZINC000342219992 444572108 /nfs/dbraw/zinc/57/21/08/444572108.db2.gz IGAJLMQAQLPOPS-AWEZNQCLSA-N 2 2 336.484 1.818 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000340920031 444576861 /nfs/dbraw/zinc/57/68/61/444576861.db2.gz VERSSYUFRKKIDR-BPQIPLTHSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000340920031 444576865 /nfs/dbraw/zinc/57/68/65/444576865.db2.gz VERSSYUFRKKIDR-BPQIPLTHSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000340920031 444576867 /nfs/dbraw/zinc/57/68/67/444576867.db2.gz VERSSYUFRKKIDR-BPQIPLTHSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000340920031 444576871 /nfs/dbraw/zinc/57/68/71/444576871.db2.gz VERSSYUFRKKIDR-BPQIPLTHSA-N 2 2 331.460 1.201 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000343730601 444550486 /nfs/dbraw/zinc/55/04/86/444550486.db2.gz PDHFNZHCTFJPSC-UHFFFAOYSA-N 2 2 340.414 1.666 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000332924756 444598704 /nfs/dbraw/zinc/59/87/04/444598704.db2.gz XIGVQXPDOIAXTH-KGLIPLIRSA-N 2 2 328.420 1.378 20 0 EDADLP CCN1C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000343799266 444598805 /nfs/dbraw/zinc/59/88/05/444598805.db2.gz GFWXOQIFUTXHPB-HKUYNNGSSA-N 2 2 347.503 1.827 20 0 EDADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343888303 444648754 /nfs/dbraw/zinc/64/87/54/444648754.db2.gz OZSQHYRRJGQZEF-SQNIBIBYSA-N 2 2 338.540 1.639 20 0 EDADLP CCCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343888303 444648758 /nfs/dbraw/zinc/64/87/58/444648758.db2.gz OZSQHYRRJGQZEF-SQNIBIBYSA-N 2 2 338.540 1.639 20 0 EDADLP [NH3+]CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1 ZINC000342384458 444668118 /nfs/dbraw/zinc/66/81/18/444668118.db2.gz JYZMCFONFUINKG-UHFFFAOYSA-N 2 2 346.353 1.226 20 0 EDADLP [NH3+]CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1 ZINC000342384458 444668119 /nfs/dbraw/zinc/66/81/19/444668119.db2.gz JYZMCFONFUINKG-UHFFFAOYSA-N 2 2 346.353 1.226 20 0 EDADLP CCCCN(CC)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343927591 444675170 /nfs/dbraw/zinc/67/51/70/444675170.db2.gz SHUHGNOBCQTLBI-ZWKOTPCHSA-N 2 2 338.540 1.593 20 0 EDADLP CCCCN(CC)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343927591 444675173 /nfs/dbraw/zinc/67/51/73/444675173.db2.gz SHUHGNOBCQTLBI-ZWKOTPCHSA-N 2 2 338.540 1.593 20 0 EDADLP C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000342412693 444681264 /nfs/dbraw/zinc/68/12/64/444681264.db2.gz JTAXQYLRAZRJFI-KRWDZBQOSA-N 2 2 333.480 1.292 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1(C)C ZINC000333072597 444635710 /nfs/dbraw/zinc/63/57/10/444635710.db2.gz GUYYFBDAYFGLCF-HIFRSBDPSA-N 2 2 331.464 1.997 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1(C)C ZINC000333072597 444635714 /nfs/dbraw/zinc/63/57/14/444635714.db2.gz GUYYFBDAYFGLCF-HIFRSBDPSA-N 2 2 331.464 1.997 20 0 EDADLP Cc1cc(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cc(C)[nH+]1 ZINC000333898519 444711864 /nfs/dbraw/zinc/71/18/64/444711864.db2.gz YSIZTCFFVQYZLF-DOTOQJQBSA-N 2 2 332.448 1.703 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CC[NH+](C4CCC4)CC3)nc[nH+]2)C1 ZINC000334055096 444763457 /nfs/dbraw/zinc/76/34/57/444763457.db2.gz UMYLGQKBSNVUNI-CABCVRRESA-N 2 2 331.464 1.358 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCC(=O)NC3(C)C)c2cc1C ZINC000338599810 444768980 /nfs/dbraw/zinc/76/89/80/444768980.db2.gz ROYHETDASROGRD-PBHICJAKSA-N 2 2 344.459 1.661 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000342622694 444782742 /nfs/dbraw/zinc/78/27/42/444782742.db2.gz OQHOVBKAUUEKAZ-JMSVASOKSA-N 2 2 325.403 1.881 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000342622694 444782745 /nfs/dbraw/zinc/78/27/45/444782745.db2.gz OQHOVBKAUUEKAZ-JMSVASOKSA-N 2 2 325.403 1.881 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)n1C ZINC000341373627 444800727 /nfs/dbraw/zinc/80/07/27/444800727.db2.gz HPUOWSVDNJSWDZ-ZIAGYGMSSA-N 2 2 347.442 1.291 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ncc(C)n3C)CC2)CC1 ZINC000342775663 444862409 /nfs/dbraw/zinc/86/24/09/444862409.db2.gz HWXUCHYEOULPER-UHFFFAOYSA-N 2 2 347.507 1.495 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CCN(Cc3[nH+]cc(C)n3C)CC2)CC1 ZINC000342775663 444862413 /nfs/dbraw/zinc/86/24/13/444862413.db2.gz HWXUCHYEOULPER-UHFFFAOYSA-N 2 2 347.507 1.495 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000341502346 444864549 /nfs/dbraw/zinc/86/45/49/444864549.db2.gz FYBYZHUURCRDJD-TZMCWYRMSA-N 2 2 345.896 1.548 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000341502346 444864554 /nfs/dbraw/zinc/86/45/54/444864554.db2.gz FYBYZHUURCRDJD-TZMCWYRMSA-N 2 2 345.896 1.548 20 0 EDADLP CN(C)c1nccc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000344299715 444888089 /nfs/dbraw/zinc/88/80/89/444888089.db2.gz PNQCDVIDYSUTPW-UHFFFAOYSA-N 2 2 326.448 1.692 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000341592831 444910991 /nfs/dbraw/zinc/91/09/91/444910991.db2.gz NSBBDXJGIOLBKK-FUHWJXTLSA-N 2 2 333.476 1.434 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000341592831 444910993 /nfs/dbraw/zinc/91/09/93/444910993.db2.gz NSBBDXJGIOLBKK-FUHWJXTLSA-N 2 2 333.476 1.434 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337074255 444930585 /nfs/dbraw/zinc/93/05/85/444930585.db2.gz PJQSLGIOHVTXLU-ZWKOTPCHSA-N 2 2 333.476 1.594 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337074255 444930588 /nfs/dbraw/zinc/93/05/88/444930588.db2.gz PJQSLGIOHVTXLU-ZWKOTPCHSA-N 2 2 333.476 1.594 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1nccn1C ZINC000341703079 444958282 /nfs/dbraw/zinc/95/82/82/444958282.db2.gz BQXYPDOANYDQCN-RYQLBKOJSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1nccn1C ZINC000341703079 444958284 /nfs/dbraw/zinc/95/82/84/444958284.db2.gz BQXYPDOANYDQCN-RYQLBKOJSA-N 2 2 328.460 1.954 20 0 EDADLP C[NH+](C)C[C@](C)(O)CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342983814 444988853 /nfs/dbraw/zinc/98/88/53/444988853.db2.gz MFGHFDJCYBKRSE-CRAIPNDOSA-N 2 2 330.432 1.361 20 0 EDADLP CC[C@H](C)C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000339021451 444991179 /nfs/dbraw/zinc/99/11/79/444991179.db2.gz FDNUEAFENYAOLT-JKSUJKDBSA-N 2 2 347.507 1.469 20 0 EDADLP CC[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000344486183 445003962 /nfs/dbraw/zinc/00/39/62/445003962.db2.gz XJSUQIPBLKGNFY-BMGDILEWSA-N 2 2 331.460 1.316 20 0 EDADLP CC[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000344486183 445003964 /nfs/dbraw/zinc/00/39/64/445003964.db2.gz XJSUQIPBLKGNFY-BMGDILEWSA-N 2 2 331.460 1.316 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341894152 445057219 /nfs/dbraw/zinc/05/72/19/445057219.db2.gz WZCUUGSLWLXZMO-KRWDZBQOSA-N 2 2 334.464 1.623 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341894152 445057223 /nfs/dbraw/zinc/05/72/23/445057223.db2.gz WZCUUGSLWLXZMO-KRWDZBQOSA-N 2 2 334.464 1.623 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000344589080 445076826 /nfs/dbraw/zinc/07/68/26/445076826.db2.gz VOWJOPYNQRFABB-UHFFFAOYSA-N 2 2 330.432 1.879 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000344589080 445076828 /nfs/dbraw/zinc/07/68/28/445076828.db2.gz VOWJOPYNQRFABB-UHFFFAOYSA-N 2 2 330.432 1.879 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000339250664 445115090 /nfs/dbraw/zinc/11/50/90/445115090.db2.gz XHHOVCSZJMBBRI-UHFFFAOYSA-N 2 2 339.443 1.496 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC000339711138 445162806 /nfs/dbraw/zinc/16/28/06/445162806.db2.gz KHTQCSGFEIIFQN-CVEARBPZSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC000339711138 445162808 /nfs/dbraw/zinc/16/28/08/445162808.db2.gz KHTQCSGFEIIFQN-CVEARBPZSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[N@H+](C)C1CC1 ZINC000343276147 445173393 /nfs/dbraw/zinc/17/33/93/445173393.db2.gz RRXRTSJYYSGUFI-AWEZNQCLSA-N 2 2 332.448 1.126 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[N@@H+](C)C1CC1 ZINC000343276147 445173396 /nfs/dbraw/zinc/17/33/96/445173396.db2.gz RRXRTSJYYSGUFI-AWEZNQCLSA-N 2 2 332.448 1.126 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000342120819 445183571 /nfs/dbraw/zinc/18/35/71/445183571.db2.gz LAHLWZCJQJGQOK-UHFFFAOYSA-N 2 2 329.448 1.981 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000337644491 445185391 /nfs/dbraw/zinc/18/53/91/445185391.db2.gz XATGQVZERXFEFD-XHSDSOJGSA-N 2 2 331.464 1.995 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000337644491 445185394 /nfs/dbraw/zinc/18/53/94/445185394.db2.gz XATGQVZERXFEFD-XHSDSOJGSA-N 2 2 331.464 1.995 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)C2=O)n(C)n1 ZINC000339441599 445142312 /nfs/dbraw/zinc/14/23/12/445142312.db2.gz XWZLMEYMBGCKKQ-QAPCUYQASA-N 2 2 331.464 1.252 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)C2=O)n(C)n1 ZINC000339441599 445142317 /nfs/dbraw/zinc/14/23/17/445142317.db2.gz XWZLMEYMBGCKKQ-QAPCUYQASA-N 2 2 331.464 1.252 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)C2=O)n(C)n1 ZINC000339441599 445142321 /nfs/dbraw/zinc/14/23/21/445142321.db2.gz XWZLMEYMBGCKKQ-QAPCUYQASA-N 2 2 331.464 1.252 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)C2=O)n(C)n1 ZINC000339441599 445142323 /nfs/dbraw/zinc/14/23/23/445142323.db2.gz XWZLMEYMBGCKKQ-QAPCUYQASA-N 2 2 331.464 1.252 20 0 EDADLP COCC(C)(C)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000342053039 445146447 /nfs/dbraw/zinc/14/64/47/445146447.db2.gz HNBTVGFJIOOMGK-UHFFFAOYSA-N 2 2 349.475 1.150 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000344922623 445149244 /nfs/dbraw/zinc/14/92/44/445149244.db2.gz SBQUIILXBVQFEU-BPQIPLTHSA-N 2 2 337.508 1.819 20 0 EDADLP Cn1nccc1[C@H]1OCC[C@H]1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000343363459 445210453 /nfs/dbraw/zinc/21/04/53/445210453.db2.gz GMBNDQGKUAXYDA-KSSFIOAISA-N 2 2 325.416 1.978 20 0 EDADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343535512 445239942 /nfs/dbraw/zinc/23/99/42/445239942.db2.gz QDSOJJXNCDBYII-UONOGXRCSA-N 2 2 339.386 1.413 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[NH+](C)C ZINC000348323235 445255816 /nfs/dbraw/zinc/25/58/16/445255816.db2.gz JPQVXKJJVRJYKD-CYBMUJFWSA-N 2 2 332.448 1.903 20 0 EDADLP Cc1cc(N2CC[C@H]([NH2+]CCCc3ccc(C)[nH+]c3)C2=O)n(C)n1 ZINC000354498921 445265120 /nfs/dbraw/zinc/26/51/20/445265120.db2.gz JXZCZAKGBPPHIL-INIZCTEOSA-N 2 2 327.432 1.760 20 0 EDADLP CC(C)OC[C@H](O)C[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348092877 445266092 /nfs/dbraw/zinc/26/60/92/445266092.db2.gz YKNHPJBKKMQAOG-OWCLPIDISA-N 2 2 342.459 1.050 20 0 EDADLP CC(C)OC[C@H](O)C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348092877 445266093 /nfs/dbraw/zinc/26/60/93/445266093.db2.gz YKNHPJBKKMQAOG-OWCLPIDISA-N 2 2 342.459 1.050 20 0 EDADLP CN(CC[NH+]1CCCCC1)C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000348093176 445266130 /nfs/dbraw/zinc/26/61/30/445266130.db2.gz ZHAUJWZRVWWGTC-QZTJIDSGSA-N 2 2 337.487 1.750 20 0 EDADLP CN(CC[NH+]1CCCCC1)C[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000348093176 445266133 /nfs/dbraw/zinc/26/61/33/445266133.db2.gz ZHAUJWZRVWWGTC-QZTJIDSGSA-N 2 2 337.487 1.750 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000348512784 445310094 /nfs/dbraw/zinc/31/00/94/445310094.db2.gz VPFKWIJCGJLZDC-UHFFFAOYSA-N 2 2 347.850 1.512 20 0 EDADLP COCCN1C(=O)N[C@H]2C[N@@H+](CCCc3c[nH+]ccc3C)CC[C@@H]21 ZINC000348516813 445310703 /nfs/dbraw/zinc/31/07/03/445310703.db2.gz TXRQFYGTWSKEIE-IRXDYDNUSA-N 2 2 332.448 1.437 20 0 EDADLP COCCN1C(=O)N[C@H]2C[N@H+](CCCc3c[nH+]ccc3C)CC[C@@H]21 ZINC000348516813 445310705 /nfs/dbraw/zinc/31/07/05/445310705.db2.gz TXRQFYGTWSKEIE-IRXDYDNUSA-N 2 2 332.448 1.437 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000343639991 445276705 /nfs/dbraw/zinc/27/67/05/445276705.db2.gz HSKLBIDEIJMOEL-UHFFFAOYSA-N 2 2 335.423 1.445 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000343665746 445291870 /nfs/dbraw/zinc/29/18/70/445291870.db2.gz KNZKKQYBVVSUJQ-VQHPVUNQSA-N 2 2 330.476 1.999 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000343665746 445291872 /nfs/dbraw/zinc/29/18/72/445291872.db2.gz KNZKKQYBVVSUJQ-VQHPVUNQSA-N 2 2 330.476 1.999 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000351848479 445341848 /nfs/dbraw/zinc/34/18/48/445341848.db2.gz DFNRWRQDKOOHDJ-RYUDHWBXSA-N 2 2 348.838 1.528 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000351848479 445341850 /nfs/dbraw/zinc/34/18/50/445341850.db2.gz DFNRWRQDKOOHDJ-RYUDHWBXSA-N 2 2 348.838 1.528 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000357074295 445408889 /nfs/dbraw/zinc/40/88/89/445408889.db2.gz FLDRWUMSIYTULP-SJORKVTESA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000357074295 445408895 /nfs/dbraw/zinc/40/88/95/445408895.db2.gz FLDRWUMSIYTULP-SJORKVTESA-N 2 2 343.471 1.728 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357083370 445416108 /nfs/dbraw/zinc/41/61/08/445416108.db2.gz PASJJWYJQYXRPX-HZPDHXFCSA-N 2 2 347.459 1.122 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357083370 445416112 /nfs/dbraw/zinc/41/61/12/445416112.db2.gz PASJJWYJQYXRPX-HZPDHXFCSA-N 2 2 347.459 1.122 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000357082886 445416579 /nfs/dbraw/zinc/41/65/79/445416579.db2.gz PMTHXHUWMMUMLQ-MSOLQXFVSA-N 2 2 342.487 1.185 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000357082886 445416581 /nfs/dbraw/zinc/41/65/81/445416581.db2.gz PMTHXHUWMMUMLQ-MSOLQXFVSA-N 2 2 342.487 1.185 20 0 EDADLP COCCO[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000362510103 445418151 /nfs/dbraw/zinc/41/81/51/445418151.db2.gz KEBOHKKPUMBPOH-MOPGFXCFSA-N 2 2 349.475 1.456 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357094293 445424536 /nfs/dbraw/zinc/42/45/36/445424536.db2.gz ZGLLXYSKYGOEIZ-ZWKOTPCHSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357094293 445424541 /nfs/dbraw/zinc/42/45/41/445424541.db2.gz ZGLLXYSKYGOEIZ-ZWKOTPCHSA-N 2 2 345.487 1.682 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3C[C@H](C)[C@@H](C)C3)CC2)cc1 ZINC000362433167 445379395 /nfs/dbraw/zinc/37/93/95/445379395.db2.gz DFCLVHMIFOGTQD-IRXDYDNUSA-N 2 2 345.487 1.927 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000357026330 445381957 /nfs/dbraw/zinc/38/19/57/445381957.db2.gz IOECMMFIQGPHJB-UHFFFAOYSA-N 2 2 335.492 1.322 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H](C)C[NH+](C)C)C1 ZINC000349020090 445478029 /nfs/dbraw/zinc/47/80/29/445478029.db2.gz BQVYAFQHFHXETR-CYBMUJFWSA-N 2 2 328.453 1.578 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)CCOC3C[NH2+]C3)CC2)s1 ZINC000349023744 445478807 /nfs/dbraw/zinc/47/88/07/445478807.db2.gz CQBWNXFASKKWKB-UHFFFAOYSA-N 2 2 337.489 1.333 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000348901205 445433920 /nfs/dbraw/zinc/43/39/20/445433920.db2.gz PLJLQYWOKUXTFM-WNRNVDISSA-N 2 2 339.524 1.970 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000348901205 445433925 /nfs/dbraw/zinc/43/39/25/445433925.db2.gz PLJLQYWOKUXTFM-WNRNVDISSA-N 2 2 339.524 1.970 20 0 EDADLP O=C(COc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000357138410 445448941 /nfs/dbraw/zinc/44/89/41/445448941.db2.gz WSXRJBFVXNEKSI-FUHWJXTLSA-N 2 2 343.471 1.729 20 0 EDADLP O=C(COc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000357138410 445448944 /nfs/dbraw/zinc/44/89/44/445448944.db2.gz WSXRJBFVXNEKSI-FUHWJXTLSA-N 2 2 343.471 1.729 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3n[nH]c4ccccc43)C2)CC1 ZINC000362712134 445514217 /nfs/dbraw/zinc/51/42/17/445514217.db2.gz URAQUAPYMJLONW-CQSZACIVSA-N 2 2 341.459 1.390 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3n[nH]c4ccccc43)C2)CC1 ZINC000362712134 445514220 /nfs/dbraw/zinc/51/42/20/445514220.db2.gz URAQUAPYMJLONW-CQSZACIVSA-N 2 2 341.459 1.390 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3[nH]nc4ccccc43)C2)CC1 ZINC000362712134 445514222 /nfs/dbraw/zinc/51/42/22/445514222.db2.gz URAQUAPYMJLONW-CQSZACIVSA-N 2 2 341.459 1.390 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3[nH]nc4ccccc43)C2)CC1 ZINC000362712134 445514225 /nfs/dbraw/zinc/51/42/25/445514225.db2.gz URAQUAPYMJLONW-CQSZACIVSA-N 2 2 341.459 1.390 20 0 EDADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352432181 445529512 /nfs/dbraw/zinc/52/95/12/445529512.db2.gz RNZZRXHMULPDLR-UHFFFAOYSA-N 2 2 331.339 2.100 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC[N@@H+](C)C(C)C)c2)cc[nH+]1 ZINC000349188116 445529981 /nfs/dbraw/zinc/52/99/81/445529981.db2.gz KUZVTYAVRYPSKN-UHFFFAOYSA-N 2 2 341.459 2.467 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC[N@H+](C)C(C)C)c2)cc[nH+]1 ZINC000349188116 445529985 /nfs/dbraw/zinc/52/99/85/445529985.db2.gz KUZVTYAVRYPSKN-UHFFFAOYSA-N 2 2 341.459 2.467 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000362664679 445486098 /nfs/dbraw/zinc/48/60/98/445486098.db2.gz CDAHKJIVPQDQSV-KRWDZBQOSA-N 2 2 339.443 1.473 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000362664679 445486103 /nfs/dbraw/zinc/48/61/03/445486103.db2.gz CDAHKJIVPQDQSV-KRWDZBQOSA-N 2 2 339.443 1.473 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000362664679 445486108 /nfs/dbraw/zinc/48/61/08/445486108.db2.gz CDAHKJIVPQDQSV-KRWDZBQOSA-N 2 2 339.443 1.473 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000362664679 445486113 /nfs/dbraw/zinc/48/61/13/445486113.db2.gz CDAHKJIVPQDQSV-KRWDZBQOSA-N 2 2 339.443 1.473 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000362674375 445493175 /nfs/dbraw/zinc/49/31/75/445493175.db2.gz DLLZPVQPHITQCO-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000362674375 445493176 /nfs/dbraw/zinc/49/31/76/445493176.db2.gz DLLZPVQPHITQCO-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP Cn1cc[nH+]c1CNc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000355822079 445494614 /nfs/dbraw/zinc/49/46/14/445494614.db2.gz TWKLGVAQSSRVDO-UHFFFAOYSA-N 2 2 327.432 1.349 20 0 EDADLP CC[N@H+](CCNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C)C(C)C ZINC000357235140 445498143 /nfs/dbraw/zinc/49/81/43/445498143.db2.gz VMUYBCXLEQMKPW-UHFFFAOYSA-N 2 2 337.468 1.002 20 0 EDADLP CC[N@@H+](CCNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C)C(C)C ZINC000357235140 445498147 /nfs/dbraw/zinc/49/81/47/445498147.db2.gz VMUYBCXLEQMKPW-UHFFFAOYSA-N 2 2 337.468 1.002 20 0 EDADLP CCOc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000362690867 445502130 /nfs/dbraw/zinc/50/21/30/445502130.db2.gz GYUSIYVXAMNCSW-INIZCTEOSA-N 2 2 347.459 1.490 20 0 EDADLP CCOc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000362690867 445502134 /nfs/dbraw/zinc/50/21/34/445502134.db2.gz GYUSIYVXAMNCSW-INIZCTEOSA-N 2 2 347.459 1.490 20 0 EDADLP OC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccsc1 ZINC000349357114 445571049 /nfs/dbraw/zinc/57/10/49/445571049.db2.gz SSDYRTSOFIIXSO-QGZVFWFLSA-N 2 2 339.505 1.168 20 0 EDADLP OC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccsc1 ZINC000349357114 445571051 /nfs/dbraw/zinc/57/10/51/445571051.db2.gz SSDYRTSOFIIXSO-QGZVFWFLSA-N 2 2 339.505 1.168 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000360111047 445573189 /nfs/dbraw/zinc/57/31/89/445573189.db2.gz QTBTWMFHUYLJKW-INIZCTEOSA-N 2 2 328.501 1.471 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000360111047 445573192 /nfs/dbraw/zinc/57/31/92/445573192.db2.gz QTBTWMFHUYLJKW-INIZCTEOSA-N 2 2 328.501 1.471 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000358157263 445608030 /nfs/dbraw/zinc/60/80/30/445608030.db2.gz HEHROJGGEXWIHV-HUUCEWRRSA-N 2 2 336.484 1.147 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000358157263 445608034 /nfs/dbraw/zinc/60/80/34/445608034.db2.gz HEHROJGGEXWIHV-HUUCEWRRSA-N 2 2 336.484 1.147 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353462437 445613167 /nfs/dbraw/zinc/61/31/67/445613167.db2.gz SLHRXIOZGXXMQT-GOSISDBHSA-N 3 2 336.524 1.345 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353462437 445613169 /nfs/dbraw/zinc/61/31/69/445613169.db2.gz SLHRXIOZGXXMQT-GOSISDBHSA-N 3 2 336.524 1.345 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000349561685 445613406 /nfs/dbraw/zinc/61/34/06/445613406.db2.gz APCSAEBVKDJWTB-MRXNPFEDSA-N 2 2 347.459 1.214 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000349561685 445613412 /nfs/dbraw/zinc/61/34/12/445613412.db2.gz APCSAEBVKDJWTB-MRXNPFEDSA-N 2 2 347.459 1.214 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H](F)C[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000362876547 445592203 /nfs/dbraw/zinc/59/22/03/445592203.db2.gz PLOZBMHOTDLNSG-KGLIPLIRSA-N 2 2 335.427 1.257 20 0 EDADLP CCO[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000349701186 445649315 /nfs/dbraw/zinc/64/93/15/445649315.db2.gz KGSXBUBFVGXUGO-KRWDZBQOSA-N 2 2 327.513 1.922 20 0 EDADLP CCO[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000349701186 445649321 /nfs/dbraw/zinc/64/93/21/445649321.db2.gz KGSXBUBFVGXUGO-KRWDZBQOSA-N 2 2 327.513 1.922 20 0 EDADLP CCN1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000360256000 445660142 /nfs/dbraw/zinc/66/01/42/445660142.db2.gz DOKZSDWLLLGSKC-INIZCTEOSA-N 2 2 349.479 1.117 20 0 EDADLP Cc1ccc(CCC[NH+]2CCN(c3nccn(C)c3=O)CC2)c[nH+]1 ZINC000353619676 445678845 /nfs/dbraw/zinc/67/88/45/445678845.db2.gz CZRNVWJSEXASED-UHFFFAOYSA-N 2 2 327.432 1.239 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000356230260 445687892 /nfs/dbraw/zinc/68/78/92/445687892.db2.gz PENBUWWKHITECG-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000356230260 445687898 /nfs/dbraw/zinc/68/78/98/445687898.db2.gz PENBUWWKHITECG-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1ccc(CCC[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c[nH+]1 ZINC000353654525 445693673 /nfs/dbraw/zinc/69/36/73/445693673.db2.gz VMICFEORQDDODU-GOSISDBHSA-N 2 2 330.432 1.633 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000360340187 445701213 /nfs/dbraw/zinc/70/12/13/445701213.db2.gz XYSMGVRPXFFACM-PKOBYXMFSA-N 3 2 347.503 1.827 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000360340187 445701215 /nfs/dbraw/zinc/70/12/15/445701215.db2.gz XYSMGVRPXFFACM-PKOBYXMFSA-N 3 2 347.503 1.827 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000360340187 445701216 /nfs/dbraw/zinc/70/12/16/445701216.db2.gz XYSMGVRPXFFACM-PKOBYXMFSA-N 2 2 347.503 1.827 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000360340187 445701218 /nfs/dbraw/zinc/70/12/18/445701218.db2.gz XYSMGVRPXFFACM-PKOBYXMFSA-N 2 2 347.503 1.827 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000363176397 445708265 /nfs/dbraw/zinc/70/82/65/445708265.db2.gz IRZGJPWGFGMIFV-DOTOQJQBSA-N 2 2 343.479 1.449 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000363176397 445708269 /nfs/dbraw/zinc/70/82/69/445708269.db2.gz IRZGJPWGFGMIFV-DOTOQJQBSA-N 2 2 343.479 1.449 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353951579 445824245 /nfs/dbraw/zinc/82/42/45/445824245.db2.gz DQQVIIGSQHEXFY-LRVKYRPXSA-N 2 2 334.508 1.142 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353951579 445824247 /nfs/dbraw/zinc/82/42/47/445824247.db2.gz DQQVIIGSQHEXFY-LRVKYRPXSA-N 2 2 334.508 1.142 20 0 EDADLP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353951579 445824250 /nfs/dbraw/zinc/82/42/50/445824250.db2.gz DQQVIIGSQHEXFY-LRVKYRPXSA-N 2 2 334.508 1.142 20 0 EDADLP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353951579 445824253 /nfs/dbraw/zinc/82/42/53/445824253.db2.gz DQQVIIGSQHEXFY-LRVKYRPXSA-N 2 2 334.508 1.142 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+](C)Cc1ccccc1 ZINC000353839705 445778156 /nfs/dbraw/zinc/77/81/56/445778156.db2.gz FVVWWZBMZOWORZ-UHFFFAOYSA-N 3 2 346.519 1.603 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+](C)Cc1ccccc1 ZINC000353839705 445778159 /nfs/dbraw/zinc/77/81/59/445778159.db2.gz FVVWWZBMZOWORZ-UHFFFAOYSA-N 3 2 346.519 1.603 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000353839705 445778163 /nfs/dbraw/zinc/77/81/63/445778163.db2.gz FVVWWZBMZOWORZ-UHFFFAOYSA-N 3 2 346.519 1.603 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000353839705 445778166 /nfs/dbraw/zinc/77/81/66/445778166.db2.gz FVVWWZBMZOWORZ-UHFFFAOYSA-N 3 2 346.519 1.603 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H](O)C[NH+]3CCC(C)CC3)cc2n1C ZINC000356415668 445780012 /nfs/dbraw/zinc/78/00/12/445780012.db2.gz VWBHAMIVBDPCDB-INIZCTEOSA-N 2 2 344.459 1.704 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356425753 445784204 /nfs/dbraw/zinc/78/42/04/445784204.db2.gz VUWGQZWPRIXELX-KGLIPLIRSA-N 2 2 336.480 1.626 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000350252032 445801215 /nfs/dbraw/zinc/80/12/15/445801215.db2.gz PBBJMTOKXVNFKF-OAHLLOKOSA-N 2 2 329.448 1.723 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000363817599 445876908 /nfs/dbraw/zinc/87/69/08/445876908.db2.gz IMYCHLARCYPFBF-BFYDXBDKSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000363817599 445876914 /nfs/dbraw/zinc/87/69/14/445876914.db2.gz IMYCHLARCYPFBF-BFYDXBDKSA-N 2 2 338.496 1.364 20 0 EDADLP CCNC(=O)[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(C)C ZINC000354066038 445884112 /nfs/dbraw/zinc/88/41/12/445884112.db2.gz SYRMQWFBGVGGPC-MRXNPFEDSA-N 2 2 327.469 1.154 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1CCO ZINC000356528782 445842935 /nfs/dbraw/zinc/84/29/35/445842935.db2.gz MVNSUADOMDPOBQ-HNNXBMFYSA-N 2 2 328.416 1.070 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1CCO ZINC000356528782 445842938 /nfs/dbraw/zinc/84/29/38/445842938.db2.gz MVNSUADOMDPOBQ-HNNXBMFYSA-N 2 2 328.416 1.070 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000350519111 445844987 /nfs/dbraw/zinc/84/49/87/445844987.db2.gz NUTLDDFLTUGZIM-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP c1ccc(N2CCC[C@@H](Nc3cc[nH+]c(N4CCOCC4)n3)C2)[nH+]c1 ZINC000363986061 445889566 /nfs/dbraw/zinc/88/95/66/445889566.db2.gz LRFZAFUJTYYAPQ-OAHLLOKOSA-N 2 2 340.431 1.789 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)c3ccnc(C[NH3+])c3)c2)CC1 ZINC000361632754 445858600 /nfs/dbraw/zinc/85/86/00/445858600.db2.gz UDPNVGAKGRWVKD-UHFFFAOYSA-N 2 2 339.443 1.540 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000358984349 445874969 /nfs/dbraw/zinc/87/49/69/445874969.db2.gz JGKBWAHSTHIYFU-IBGZPJMESA-N 2 2 335.467 1.793 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccn3)CC2)CC1 ZINC000369095385 445926456 /nfs/dbraw/zinc/92/64/56/445926456.db2.gz JWJHXUKANZTGSX-KRWDZBQOSA-N 2 2 344.503 1.889 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000582602426 325883471 /nfs/dbraw/zinc/88/34/71/325883471.db2.gz HWWLGMVJSSBGTK-UHFFFAOYSA-N 2 2 349.479 1.472 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000373031730 445984721 /nfs/dbraw/zinc/98/47/21/445984721.db2.gz YJLITNWDUAKUFJ-QGZVFWFLSA-N 2 2 341.459 1.808 20 0 EDADLP COC1(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)CC[NH2+]CC1 ZINC000373041234 445989468 /nfs/dbraw/zinc/98/94/68/445989468.db2.gz YTANNLBOYAXTOE-UHFFFAOYSA-N 2 2 332.448 1.277 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1)C[NH+]1CCCCC1 ZINC000364718784 445948118 /nfs/dbraw/zinc/94/81/18/445948118.db2.gz XVDRIIMENHGJTD-JKSUJKDBSA-N 2 2 333.480 1.867 20 0 EDADLP COC1(C[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CCOCC1 ZINC000372967470 445948540 /nfs/dbraw/zinc/94/85/40/445948540.db2.gz NLOIMGKGCWTRBC-IRXDYDNUSA-N 2 2 325.497 1.140 20 0 EDADLP COC1(C[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CCOCC1 ZINC000372967470 445948544 /nfs/dbraw/zinc/94/85/44/445948544.db2.gz NLOIMGKGCWTRBC-IRXDYDNUSA-N 2 2 325.497 1.140 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000365097985 446022374 /nfs/dbraw/zinc/02/23/74/446022374.db2.gz GOABEVWHPAIBEM-WMLDXEAASA-N 2 2 334.464 1.355 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)[N@H+]1CCO ZINC000366117781 446024529 /nfs/dbraw/zinc/02/45/29/446024529.db2.gz IHWUOMGCOPXBLG-DAYGRLMNSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)[N@@H+]1CCO ZINC000366117781 446024534 /nfs/dbraw/zinc/02/45/34/446024534.db2.gz IHWUOMGCOPXBLG-DAYGRLMNSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[C@H](C)[NH+]1CCO ZINC000366117781 446024537 /nfs/dbraw/zinc/02/45/37/446024537.db2.gz IHWUOMGCOPXBLG-DAYGRLMNSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[C@H](C)[NH+]1CCO ZINC000366117781 446024543 /nfs/dbraw/zinc/02/45/43/446024543.db2.gz IHWUOMGCOPXBLG-DAYGRLMNSA-N 2 2 346.475 1.270 20 0 EDADLP CSc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000369265306 446030797 /nfs/dbraw/zinc/03/07/97/446030797.db2.gz FLWULSLKYYNEKT-CQSZACIVSA-N 2 2 334.489 1.702 20 0 EDADLP CSc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000369265306 446030800 /nfs/dbraw/zinc/03/08/00/446030800.db2.gz FLWULSLKYYNEKT-CQSZACIVSA-N 2 2 334.489 1.702 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354254949 446048857 /nfs/dbraw/zinc/04/88/57/446048857.db2.gz MKESTAAFEDAFRI-UHFFFAOYSA-N 2 2 346.475 1.328 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000354206628 446000639 /nfs/dbraw/zinc/00/06/39/446000639.db2.gz RIMLBEOGKWEIGU-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000354206628 446000643 /nfs/dbraw/zinc/00/06/43/446000643.db2.gz RIMLBEOGKWEIGU-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000354206628 446000648 /nfs/dbraw/zinc/00/06/48/446000648.db2.gz RIMLBEOGKWEIGU-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000354206628 446000652 /nfs/dbraw/zinc/00/06/52/446000652.db2.gz RIMLBEOGKWEIGU-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP COc1ccc2ccccc2c1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000583192998 326022832 /nfs/dbraw/zinc/02/28/32/326022832.db2.gz JGIZVWXWSLGYAS-OAHLLOKOSA-N 2 2 342.443 1.633 20 0 EDADLP COc1ccc2ccccc2c1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583192998 326022833 /nfs/dbraw/zinc/02/28/33/326022833.db2.gz JGIZVWXWSLGYAS-OAHLLOKOSA-N 2 2 342.443 1.633 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H]3CCC[NH2+][C@H]3C)ccc2n1C ZINC000583488084 326081678 /nfs/dbraw/zinc/08/16/78/326081678.db2.gz MDRNYQVGODYPNK-GWCFXTLKSA-N 2 2 329.404 1.077 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2(C)Cc3ccccc3C2)C[C@H](C)O1 ZINC000583626599 326106123 /nfs/dbraw/zinc/10/61/23/326106123.db2.gz XWMBCPQVPGESFM-JTDSTZFVSA-N 2 2 332.488 1.851 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2(C)Cc3ccccc3C2)C[C@H](C)O1 ZINC000583626599 326106125 /nfs/dbraw/zinc/10/61/25/326106125.db2.gz XWMBCPQVPGESFM-JTDSTZFVSA-N 2 2 332.488 1.851 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccc(F)cc2F)CC12CCOCC2 ZINC000583693748 326120602 /nfs/dbraw/zinc/12/06/02/326120602.db2.gz HFKLJFBZTIGGRE-LBPRGKRZSA-N 2 2 339.386 1.591 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2ccc(F)cc2F)CC12CCOCC2 ZINC000583693748 326120605 /nfs/dbraw/zinc/12/06/05/326120605.db2.gz HFKLJFBZTIGGRE-LBPRGKRZSA-N 2 2 339.386 1.591 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)[nH+]c2c1 ZINC000584001584 326182149 /nfs/dbraw/zinc/18/21/49/326182149.db2.gz JRSNINWDNUJCHT-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)[nH+]c2c1 ZINC000584001584 326182150 /nfs/dbraw/zinc/18/21/50/326182150.db2.gz JRSNINWDNUJCHT-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000369307274 446062618 /nfs/dbraw/zinc/06/26/18/446062618.db2.gz NEQOAYNVQWFUAC-NEPJUHHUSA-N 2 2 345.369 1.824 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000369307274 446062623 /nfs/dbraw/zinc/06/26/23/446062623.db2.gz NEQOAYNVQWFUAC-NEPJUHHUSA-N 2 2 345.369 1.824 20 0 EDADLP C[C@H]1CN(C(=O)/C=C/c2ccn(C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000365173453 446065742 /nfs/dbraw/zinc/06/57/42/446065742.db2.gz ULLYGUBRAKMTGX-APHBUQMISA-N 2 2 330.476 1.665 20 0 EDADLP C[C@H]1CN(C(=O)/C=C/c2ccn(C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000365173453 446065749 /nfs/dbraw/zinc/06/57/49/446065749.db2.gz ULLYGUBRAKMTGX-APHBUQMISA-N 2 2 330.476 1.665 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1)C(C)C ZINC000351490286 446092012 /nfs/dbraw/zinc/09/20/12/446092012.db2.gz KLLXDEWMIUYWDU-INIZCTEOSA-N 2 2 327.469 1.105 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1)C(C)C ZINC000351490286 446092016 /nfs/dbraw/zinc/09/20/16/446092016.db2.gz KLLXDEWMIUYWDU-INIZCTEOSA-N 2 2 327.469 1.105 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@]3(CCO)CCOC3)sc2C1 ZINC000373202286 446092860 /nfs/dbraw/zinc/09/28/60/446092860.db2.gz CEQMTXDQGRXMII-INIZCTEOSA-N 2 2 325.478 1.541 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@]3(CCO)CCOC3)sc2C1 ZINC000373202286 446092866 /nfs/dbraw/zinc/09/28/66/446092866.db2.gz CEQMTXDQGRXMII-INIZCTEOSA-N 2 2 325.478 1.541 20 0 EDADLP Cc1c([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000365257938 446107528 /nfs/dbraw/zinc/10/75/28/446107528.db2.gz KWLGXVIFULTHIS-ZFWWWQNUSA-N 2 2 348.495 1.257 20 0 EDADLP Cc1c([C@H](C)NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000365257938 446107533 /nfs/dbraw/zinc/10/75/33/446107533.db2.gz KWLGXVIFULTHIS-ZFWWWQNUSA-N 2 2 348.495 1.257 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521348 446124136 /nfs/dbraw/zinc/12/41/36/446124136.db2.gz UHILYLGJUWYYHP-LPHOPBHVSA-N 2 2 345.487 1.584 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521348 446124141 /nfs/dbraw/zinc/12/41/41/446124141.db2.gz UHILYLGJUWYYHP-LPHOPBHVSA-N 2 2 345.487 1.584 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521348 446124145 /nfs/dbraw/zinc/12/41/45/446124145.db2.gz UHILYLGJUWYYHP-LPHOPBHVSA-N 2 2 345.487 1.584 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521348 446124149 /nfs/dbraw/zinc/12/41/49/446124149.db2.gz UHILYLGJUWYYHP-LPHOPBHVSA-N 2 2 345.487 1.584 20 0 EDADLP COCCOCC[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000373254682 446126524 /nfs/dbraw/zinc/12/65/24/446126524.db2.gz GDLOGIMNBAZHKI-UHFFFAOYSA-N 2 2 336.480 1.308 20 0 EDADLP C[N@H+](CCOCC(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365292543 446130260 /nfs/dbraw/zinc/13/02/60/446130260.db2.gz KMYFWCMKZALVND-QGZVFWFLSA-N 2 2 328.403 1.837 20 0 EDADLP C[N@@H+](CCOCC(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365292543 446130265 /nfs/dbraw/zinc/13/02/65/446130265.db2.gz KMYFWCMKZALVND-QGZVFWFLSA-N 2 2 328.403 1.837 20 0 EDADLP C[NH+](CCOCC(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365292543 446130268 /nfs/dbraw/zinc/13/02/68/446130268.db2.gz KMYFWCMKZALVND-QGZVFWFLSA-N 2 2 328.403 1.837 20 0 EDADLP C[NH+](CCOCC(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000365292543 446130272 /nfs/dbraw/zinc/13/02/72/446130272.db2.gz KMYFWCMKZALVND-QGZVFWFLSA-N 2 2 328.403 1.837 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344682 446164667 /nfs/dbraw/zinc/16/46/67/446164667.db2.gz DPANLLYHGOIKMF-HOTGVXAUSA-N 2 2 329.510 1.361 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344682 446164670 /nfs/dbraw/zinc/16/46/70/446164670.db2.gz DPANLLYHGOIKMF-HOTGVXAUSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344682 446164676 /nfs/dbraw/zinc/16/46/76/446164676.db2.gz DPANLLYHGOIKMF-HOTGVXAUSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344682 446164679 /nfs/dbraw/zinc/16/46/79/446164679.db2.gz DPANLLYHGOIKMF-HOTGVXAUSA-N 2 2 329.510 1.361 20 0 EDADLP C[N@H+](CCc1nc(-c2ccccc2)no1)C1CC[NH+](CCO)CC1 ZINC000354388737 446168878 /nfs/dbraw/zinc/16/88/78/446168878.db2.gz KYYUWBNZHQDYHL-UHFFFAOYSA-N 2 2 330.432 1.668 20 0 EDADLP C[N@@H+](CCc1nc(-c2ccccc2)no1)C1CC[NH+](CCO)CC1 ZINC000354388737 446168884 /nfs/dbraw/zinc/16/88/84/446168884.db2.gz KYYUWBNZHQDYHL-UHFFFAOYSA-N 2 2 330.432 1.668 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000365405552 446192800 /nfs/dbraw/zinc/19/28/00/446192800.db2.gz LWIRYMBVWDBMRA-CQSZACIVSA-N 2 2 335.452 1.082 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000365405552 446192805 /nfs/dbraw/zinc/19/28/05/446192805.db2.gz LWIRYMBVWDBMRA-CQSZACIVSA-N 2 2 335.452 1.082 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000373377302 446190094 /nfs/dbraw/zinc/19/00/94/446190094.db2.gz NCMAKONRDZILQZ-MRXNPFEDSA-N 2 2 348.447 1.234 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000373377302 446190098 /nfs/dbraw/zinc/19/00/98/446190098.db2.gz NCMAKONRDZILQZ-MRXNPFEDSA-N 2 2 348.447 1.234 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[NH+]2CCC1CC2 ZINC000370259687 446201130 /nfs/dbraw/zinc/20/11/30/446201130.db2.gz DJCDKOXVENMOPG-UHFFFAOYSA-N 2 2 339.443 1.921 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1 ZINC000370356222 446245190 /nfs/dbraw/zinc/24/51/90/446245190.db2.gz YVAAILHAAKCRCN-DLBZAZTESA-N 2 2 333.501 1.939 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000365496735 446231820 /nfs/dbraw/zinc/23/18/20/446231820.db2.gz IEBXMMQOOFILRY-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000365496735 446231822 /nfs/dbraw/zinc/23/18/22/446231822.db2.gz IEBXMMQOOFILRY-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000370344305 446238308 /nfs/dbraw/zinc/23/83/08/446238308.db2.gz WNBOUHQHBOOMKG-KRWDZBQOSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000370344305 446238309 /nfs/dbraw/zinc/23/83/09/446238309.db2.gz WNBOUHQHBOOMKG-KRWDZBQOSA-N 2 2 325.497 1.868 20 0 EDADLP CC[C@H](C)[C@@H](OC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373505380 446241905 /nfs/dbraw/zinc/24/19/05/446241905.db2.gz ZGJDFHUDCRGLJO-USXIJHARSA-N 2 2 325.497 1.674 20 0 EDADLP CC[C@H](C)[C@@H](OC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373505380 446241908 /nfs/dbraw/zinc/24/19/08/446241908.db2.gz ZGJDFHUDCRGLJO-USXIJHARSA-N 2 2 325.497 1.674 20 0 EDADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)c1ccco1 ZINC000359566478 446294717 /nfs/dbraw/zinc/29/47/17/446294717.db2.gz VRQVPQACCQKXMR-GJZGRUSLSA-N 2 2 337.464 1.936 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365550441 446251371 /nfs/dbraw/zinc/25/13/71/446251371.db2.gz SYNYAOWARILLGE-KZNAEPCWSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365550441 446251375 /nfs/dbraw/zinc/25/13/75/446251375.db2.gz SYNYAOWARILLGE-KZNAEPCWSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365550441 446251377 /nfs/dbraw/zinc/25/13/77/446251377.db2.gz SYNYAOWARILLGE-KZNAEPCWSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365550441 446251380 /nfs/dbraw/zinc/25/13/80/446251380.db2.gz SYNYAOWARILLGE-KZNAEPCWSA-N 2 2 343.471 1.728 20 0 EDADLP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000370371768 446251946 /nfs/dbraw/zinc/25/19/46/446251946.db2.gz OMZVNMBRDTUGTO-HOCLYGCPSA-N 2 2 342.447 1.795 20 0 EDADLP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@@H](C)C1 ZINC000370371768 446251948 /nfs/dbraw/zinc/25/19/48/446251948.db2.gz OMZVNMBRDTUGTO-HOCLYGCPSA-N 2 2 342.447 1.795 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000365635356 446282841 /nfs/dbraw/zinc/28/28/41/446282841.db2.gz ZQTUFDRGNDLKHN-HNNXBMFYSA-N 2 2 348.472 1.578 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000365635356 446282846 /nfs/dbraw/zinc/28/28/46/446282846.db2.gz ZQTUFDRGNDLKHN-HNNXBMFYSA-N 2 2 348.472 1.578 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCOCC(F)F)([NH+]2CCCCC2)CC1 ZINC000373623569 446283652 /nfs/dbraw/zinc/28/36/52/446283652.db2.gz FJPNJQSNRQDHPY-UHFFFAOYSA-N 2 2 347.450 1.725 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000366635254 446288605 /nfs/dbraw/zinc/28/86/05/446288605.db2.gz XCKDQMWJOGGXFX-OLMNPRSZSA-N 2 2 328.460 1.645 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)NCC[N@H+]2CC=CCC2)CCOc2ccccc21 ZINC000373662116 446293993 /nfs/dbraw/zinc/29/39/93/446293993.db2.gz YRNGGBXVJLVWJM-IBGZPJMESA-N 2 2 329.444 1.604 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)NCC[N@@H+]2CC=CCC2)CCOc2ccccc21 ZINC000373662116 446293996 /nfs/dbraw/zinc/29/39/96/446293996.db2.gz YRNGGBXVJLVWJM-IBGZPJMESA-N 2 2 329.444 1.604 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359615697 446321221 /nfs/dbraw/zinc/32/12/21/446321221.db2.gz XHQKMDNVLRPQNX-RDJZCZTQSA-N 2 2 339.524 1.801 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359615697 446321223 /nfs/dbraw/zinc/32/12/23/446321223.db2.gz XHQKMDNVLRPQNX-RDJZCZTQSA-N 2 2 339.524 1.801 20 0 EDADLP C[C@]1(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC[NH2+]C1 ZINC000417468095 446352788 /nfs/dbraw/zinc/35/27/88/446352788.db2.gz NRBBBKPCRWKTGM-ZDUSSCGKSA-N 2 2 333.358 1.634 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C[C@@H]1[NH+](C)C ZINC000370613727 446358618 /nfs/dbraw/zinc/35/86/18/446358618.db2.gz FMVQJKCNPMVNNK-OWCLPIDISA-N 2 2 348.516 1.802 20 0 EDADLP CN(C(=O)C[C@H](O)CC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365894709 446391757 /nfs/dbraw/zinc/39/17/57/446391757.db2.gz KBUJDNOYSFIPND-IRXDYDNUSA-N 2 2 339.524 1.801 20 0 EDADLP CN(C(=O)C[C@H](O)CC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365894709 446391764 /nfs/dbraw/zinc/39/17/64/446391764.db2.gz KBUJDNOYSFIPND-IRXDYDNUSA-N 2 2 339.524 1.801 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCCCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417960365 446400709 /nfs/dbraw/zinc/40/07/09/446400709.db2.gz XJSQRXLAOYEOAG-GJZGRUSLSA-N 2 2 326.391 1.748 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCCCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417960365 446400713 /nfs/dbraw/zinc/40/07/13/446400713.db2.gz XJSQRXLAOYEOAG-GJZGRUSLSA-N 2 2 326.391 1.748 20 0 EDADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000417947676 446396223 /nfs/dbraw/zinc/39/62/23/446396223.db2.gz GTSULZXDYNMULR-LSDHHAIUSA-N 2 2 340.855 1.360 20 0 EDADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000417947676 446396225 /nfs/dbraw/zinc/39/62/25/446396225.db2.gz GTSULZXDYNMULR-LSDHHAIUSA-N 2 2 340.855 1.360 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951672 446397380 /nfs/dbraw/zinc/39/73/80/446397380.db2.gz YZVZRFABHKTTAF-HERUPUMHSA-N 2 2 328.819 1.871 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951672 446397381 /nfs/dbraw/zinc/39/73/81/446397381.db2.gz YZVZRFABHKTTAF-HERUPUMHSA-N 2 2 328.819 1.871 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376327426 446430905 /nfs/dbraw/zinc/43/09/05/446430905.db2.gz JGDAMTOVWOVMGM-RDJZCZTQSA-N 2 2 349.479 1.476 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCCO[C@@H](C[NH3+])C2)nc[nH+]1 ZINC000420275344 446445093 /nfs/dbraw/zinc/44/50/93/446445093.db2.gz FTRPGOFZYBCYJV-DAYGRLMNSA-N 2 2 349.479 1.646 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCCO[C@@H](C[NH3+])C2)[nH+]cn1 ZINC000420275344 446445098 /nfs/dbraw/zinc/44/50/98/446445098.db2.gz FTRPGOFZYBCYJV-DAYGRLMNSA-N 2 2 349.479 1.646 20 0 EDADLP COCCC(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376295903 446417981 /nfs/dbraw/zinc/41/79/81/446417981.db2.gz JUKMSHNYWWGKIC-HNNXBMFYSA-N 2 2 325.497 1.676 20 0 EDADLP COCCC(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376295903 446417985 /nfs/dbraw/zinc/41/79/85/446417985.db2.gz JUKMSHNYWWGKIC-HNNXBMFYSA-N 2 2 325.497 1.676 20 0 EDADLP COc1cccc([C@H](NC(=O)C[C@H]2CCC[NH2+]2)c2[nH+]ccn2C)c1 ZINC000370763459 446423113 /nfs/dbraw/zinc/42/31/13/446423113.db2.gz LIMYMRDUUMOUNF-PBHICJAKSA-N 2 2 328.416 1.776 20 0 EDADLP Cc1cccc2nc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc(=O)n12 ZINC000420291328 446454909 /nfs/dbraw/zinc/45/49/09/446454909.db2.gz NGTGSPUJXBZNBH-UHFFFAOYSA-N 2 2 326.444 1.967 20 0 EDADLP CN(C(=O)CSc1ccncc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370817472 446459622 /nfs/dbraw/zinc/45/96/22/446459622.db2.gz CHELGLNIBBCZOC-MRXNPFEDSA-N 2 2 348.516 1.801 20 0 EDADLP CN(C(=O)CSc1ccncc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370817472 446459625 /nfs/dbraw/zinc/45/96/25/446459625.db2.gz CHELGLNIBBCZOC-MRXNPFEDSA-N 2 2 348.516 1.801 20 0 EDADLP CN(C(=O)c1ccc(C=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370820865 446461004 /nfs/dbraw/zinc/46/10/04/446461004.db2.gz RLWNYANLESDTBW-SFHVURJKSA-N 2 2 329.444 1.740 20 0 EDADLP CN(C(=O)c1ccc(C=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370820865 446461007 /nfs/dbraw/zinc/46/10/07/446461007.db2.gz RLWNYANLESDTBW-SFHVURJKSA-N 2 2 329.444 1.740 20 0 EDADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000423262392 446469260 /nfs/dbraw/zinc/46/92/60/446469260.db2.gz MIGLRJPEZTWGAR-LRDDRELGSA-N 2 2 325.478 1.892 20 0 EDADLP CCCCO[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837131 446472093 /nfs/dbraw/zinc/47/20/93/446472093.db2.gz CIZZWRZSODVASG-WBVHZDCISA-N 2 2 325.497 1.819 20 0 EDADLP CCCCO[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837131 446472097 /nfs/dbraw/zinc/47/20/97/446472097.db2.gz CIZZWRZSODVASG-WBVHZDCISA-N 2 2 325.497 1.819 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)NCc3cccnc3)C2)c1 ZINC000370843209 446475170 /nfs/dbraw/zinc/47/51/70/446475170.db2.gz QUBWXPIEYYWSSO-QGZVFWFLSA-N 2 2 339.443 1.835 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(=O)NCc3cccnc3)C2)c1 ZINC000370843209 446475175 /nfs/dbraw/zinc/47/51/75/446475175.db2.gz QUBWXPIEYYWSSO-QGZVFWFLSA-N 2 2 339.443 1.835 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000423304225 446480478 /nfs/dbraw/zinc/48/04/78/446480478.db2.gz NQBITJXSKBDENU-AWEZNQCLSA-N 2 2 340.427 1.868 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420315485 446482291 /nfs/dbraw/zinc/48/22/91/446482291.db2.gz RNRRMXOBJSYIDG-INIZCTEOSA-N 2 2 347.459 1.657 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420315485 446482287 /nfs/dbraw/zinc/48/22/87/446482287.db2.gz RNRRMXOBJSYIDG-INIZCTEOSA-N 2 2 347.459 1.657 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000420322494 446487612 /nfs/dbraw/zinc/48/76/12/446487612.db2.gz SNCLHJRNSSLKEW-CABCVRRESA-N 2 2 333.432 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000420322494 446487619 /nfs/dbraw/zinc/48/76/19/446487619.db2.gz SNCLHJRNSSLKEW-CABCVRRESA-N 2 2 333.432 1.252 20 0 EDADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)[N@@H+]1CCc2sccc2C1 ZINC000423340147 446494968 /nfs/dbraw/zinc/49/49/68/446494968.db2.gz XCWRXQJKHPQONG-IINYFYTJSA-N 2 2 336.486 1.767 20 0 EDADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)[N@H+]1CCc2sccc2C1 ZINC000423340147 446494977 /nfs/dbraw/zinc/49/49/77/446494977.db2.gz XCWRXQJKHPQONG-IINYFYTJSA-N 2 2 336.486 1.767 20 0 EDADLP O=C(NCCC[NH2+]Cc1cccnc1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418334364 446503223 /nfs/dbraw/zinc/50/32/23/446503223.db2.gz XBBRYFNKFYAKQH-CQSZACIVSA-N 2 2 341.406 1.105 20 0 EDADLP C[C@H](C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1)N1CC[NH+](C)CC1 ZINC000370897310 446504575 /nfs/dbraw/zinc/50/45/75/446504575.db2.gz GPLIIOTZDVWUQP-MRXNPFEDSA-N 2 2 345.491 1.145 20 0 EDADLP COC[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC[NH2+]C1 ZINC000423371556 446505670 /nfs/dbraw/zinc/50/56/70/446505670.db2.gz AKPUMBJDQDOBOP-IBGZPJMESA-N 2 2 346.475 1.704 20 0 EDADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000423388644 446514294 /nfs/dbraw/zinc/51/42/94/446514294.db2.gz NAZIBZJXWQSNKN-SWLSCSKDSA-N 2 2 325.478 1.763 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])C2CCC2)[NH+]2CCOCC2)cc1 ZINC000423359656 446500118 /nfs/dbraw/zinc/50/01/18/446500118.db2.gz VCOKRNQRTKILQQ-ZWKOTPCHSA-N 2 2 331.460 1.612 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418370456 446517798 /nfs/dbraw/zinc/51/77/98/446517798.db2.gz WDFWPUCGDMPOMD-RCMYXZNBSA-N 2 2 330.476 1.883 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433018374 446527050 /nfs/dbraw/zinc/52/70/50/446527050.db2.gz DPDIWVCXPKPFLQ-AWEZNQCLSA-N 2 2 338.452 1.187 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433018374 446527055 /nfs/dbraw/zinc/52/70/55/446527055.db2.gz DPDIWVCXPKPFLQ-AWEZNQCLSA-N 2 2 338.452 1.187 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)[nH+]1 ZINC000411412843 446528774 /nfs/dbraw/zinc/52/87/74/446528774.db2.gz CFKDCVZBFBAGAJ-UKRRQHHQSA-N 2 2 332.448 1.886 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)[nH+]1 ZINC000411412843 446528777 /nfs/dbraw/zinc/52/87/77/446528777.db2.gz CFKDCVZBFBAGAJ-UKRRQHHQSA-N 2 2 332.448 1.886 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350894 446530397 /nfs/dbraw/zinc/53/03/97/446530397.db2.gz IJASLQZZDUXGGR-CABZTGNLSA-N 2 2 330.226 1.028 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350894 446530400 /nfs/dbraw/zinc/53/04/00/446530400.db2.gz IJASLQZZDUXGGR-CABZTGNLSA-N 2 2 330.226 1.028 20 0 EDADLP CN(Cc1ncnn1C(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367288689 446531942 /nfs/dbraw/zinc/53/19/42/446531942.db2.gz IBVVJBOPIUVTPI-MRXNPFEDSA-N 2 2 334.512 1.633 20 0 EDADLP CN(Cc1ncnn1C(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367288689 446531946 /nfs/dbraw/zinc/53/19/46/446531946.db2.gz IBVVJBOPIUVTPI-MRXNPFEDSA-N 2 2 334.512 1.633 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418408667 446532755 /nfs/dbraw/zinc/53/27/55/446532755.db2.gz NSQAFLDUHXANKQ-CQSZACIVSA-N 2 2 325.482 1.344 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418408667 446532760 /nfs/dbraw/zinc/53/27/60/446532760.db2.gz NSQAFLDUHXANKQ-CQSZACIVSA-N 2 2 325.482 1.344 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354148 446532819 /nfs/dbraw/zinc/53/28/19/446532819.db2.gz BMVHQLVGTMFCCA-HNAYVOBHSA-N 2 2 331.460 1.775 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420354148 446532827 /nfs/dbraw/zinc/53/28/27/446532827.db2.gz BMVHQLVGTMFCCA-HNAYVOBHSA-N 2 2 331.460 1.775 20 0 EDADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000411428853 446537596 /nfs/dbraw/zinc/53/75/96/446537596.db2.gz PQVVYHBTYWSOQR-VXGBXAGGSA-N 2 2 332.370 1.742 20 0 EDADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000411428853 446537603 /nfs/dbraw/zinc/53/76/03/446537603.db2.gz PQVVYHBTYWSOQR-VXGBXAGGSA-N 2 2 332.370 1.742 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420357972 446538127 /nfs/dbraw/zinc/53/81/27/446538127.db2.gz DZIRGUFVJAULBU-IIYDPXPESA-N 2 2 333.432 1.696 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+](C)CCC[NH2+]C ZINC000420392121 446567487 /nfs/dbraw/zinc/56/74/87/446567487.db2.gz UHIHNSJKDMZDRE-HNNXBMFYSA-N 2 2 348.491 1.576 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C ZINC000420392121 446567491 /nfs/dbraw/zinc/56/74/91/446567491.db2.gz UHIHNSJKDMZDRE-HNNXBMFYSA-N 2 2 348.491 1.576 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420362837 446542282 /nfs/dbraw/zinc/54/22/82/446542282.db2.gz IZKXUJDELCBISF-IQUTYRLHSA-N 2 2 346.475 1.280 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1OC ZINC000420362960 446543305 /nfs/dbraw/zinc/54/33/05/446543305.db2.gz NKPTXVLVCQLYIR-HNNXBMFYSA-N 2 2 337.464 1.625 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(CNc2ncnc3c2C[N@H+](C)CC3)c1 ZINC000367419896 446544681 /nfs/dbraw/zinc/54/46/81/446544681.db2.gz XTSSYXJYGMQFMQ-UHFFFAOYSA-N 2 2 334.427 2.477 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(CNc2ncnc3c2C[N@@H+](C)CC3)c1 ZINC000367419896 446544685 /nfs/dbraw/zinc/54/46/85/446544685.db2.gz XTSSYXJYGMQFMQ-UHFFFAOYSA-N 2 2 334.427 2.477 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453106263 446546597 /nfs/dbraw/zinc/54/65/97/446546597.db2.gz YLVUWZAHIHJTJF-WTGUMLROSA-N 3 2 331.504 1.942 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423468959 446548097 /nfs/dbraw/zinc/54/80/97/446548097.db2.gz KBGKJIUEDOEFMQ-RDTXWAMCSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420379007 446554862 /nfs/dbraw/zinc/55/48/62/446554862.db2.gz ACPPWNARWRDUTH-WFASDCNBSA-N 2 2 325.840 1.394 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420379007 446554870 /nfs/dbraw/zinc/55/48/70/446554870.db2.gz ACPPWNARWRDUTH-WFASDCNBSA-N 2 2 325.840 1.394 20 0 EDADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000423500846 446555551 /nfs/dbraw/zinc/55/55/51/446555551.db2.gz DAUWLOBUXBKGOU-MSOLQXFVSA-N 2 2 328.464 1.211 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)C[C@H]21 ZINC000375064819 446556806 /nfs/dbraw/zinc/55/68/06/446556806.db2.gz ZJUQUYCUNNVMLV-GDBMZVCRSA-N 2 2 327.432 1.612 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)C[C@H]21 ZINC000375064819 446556812 /nfs/dbraw/zinc/55/68/12/446556812.db2.gz ZJUQUYCUNNVMLV-GDBMZVCRSA-N 2 2 327.432 1.612 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000371077762 446614518 /nfs/dbraw/zinc/61/45/18/446614518.db2.gz DRSIYTWOZMWUNE-CQSZACIVSA-N 2 2 328.482 1.410 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000371077762 446614523 /nfs/dbraw/zinc/61/45/23/446614523.db2.gz DRSIYTWOZMWUNE-CQSZACIVSA-N 2 2 328.482 1.410 20 0 EDADLP [NH3+]CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418514453 446574840 /nfs/dbraw/zinc/57/48/40/446574840.db2.gz UFDXOJOVTHGPSX-SJORKVTESA-N 2 2 332.448 1.020 20 0 EDADLP [NH3+]CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418514453 446574847 /nfs/dbraw/zinc/57/48/47/446574847.db2.gz UFDXOJOVTHGPSX-SJORKVTESA-N 2 2 332.448 1.020 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(=O)OC ZINC000376558262 446574944 /nfs/dbraw/zinc/57/49/44/446574944.db2.gz NQMBDUHIKOGUEF-UNEWFSDZSA-N 2 2 349.431 1.239 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(=O)OC ZINC000376558262 446574950 /nfs/dbraw/zinc/57/49/50/446574950.db2.gz NQMBDUHIKOGUEF-UNEWFSDZSA-N 2 2 349.431 1.239 20 0 EDADLP CS[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@H]1[NH+]1CCCC1 ZINC000433783562 446599071 /nfs/dbraw/zinc/59/90/71/446599071.db2.gz PROLHSPAOSNCBR-CABCVRRESA-N 2 2 349.504 1.329 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000434464908 446646971 /nfs/dbraw/zinc/64/69/71/446646971.db2.gz IKGHUIGBMBUIII-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000434464908 446646975 /nfs/dbraw/zinc/64/69/75/446646975.db2.gz IKGHUIGBMBUIII-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000418695222 446651382 /nfs/dbraw/zinc/65/13/82/446651382.db2.gz JDZSXVNYVURPQZ-UONOGXRCSA-N 2 2 340.493 1.500 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000423729925 446664439 /nfs/dbraw/zinc/66/44/39/446664439.db2.gz OVRPUFPACMBJCM-HNNXBMFYSA-N 2 2 339.480 1.110 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000423729925 446664442 /nfs/dbraw/zinc/66/44/42/446664442.db2.gz OVRPUFPACMBJCM-HNNXBMFYSA-N 2 2 339.480 1.110 20 0 EDADLP C[C@@H](O)CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000434106830 446624018 /nfs/dbraw/zinc/62/40/18/446624018.db2.gz PKSNYIKMYGGLSI-CQSZACIVSA-N 2 2 326.485 1.005 20 0 EDADLP CN(CCCCCO)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000434107193 446624094 /nfs/dbraw/zinc/62/40/94/446624094.db2.gz TXSHNXBWSAJHII-UHFFFAOYSA-N 2 2 340.512 1.349 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376736810 446686978 /nfs/dbraw/zinc/68/69/78/446686978.db2.gz NGKCNCVXEJTCQB-HNNXBMFYSA-N 2 2 334.464 1.552 20 0 EDADLP CCOCCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376736810 446686985 /nfs/dbraw/zinc/68/69/85/446686985.db2.gz NGKCNCVXEJTCQB-HNNXBMFYSA-N 2 2 334.464 1.552 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000423760136 446689746 /nfs/dbraw/zinc/68/97/46/446689746.db2.gz JDOOBBMEJSOVIP-JTOWHCCKSA-N 2 2 341.496 1.087 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000423760136 446689751 /nfs/dbraw/zinc/68/97/51/446689751.db2.gz JDOOBBMEJSOVIP-JTOWHCCKSA-N 2 2 341.496 1.087 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000376748411 446694609 /nfs/dbraw/zinc/69/46/09/446694609.db2.gz ZFHBDKFFAVBVDG-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000376748411 446694614 /nfs/dbraw/zinc/69/46/14/446694614.db2.gz ZFHBDKFFAVBVDG-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP O=C1CC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)[C@H](C2CC2)N1 ZINC000375300520 446704182 /nfs/dbraw/zinc/70/41/82/446704182.db2.gz BJTXBOLFWOMGKP-HKUYNNGSSA-N 2 2 328.460 1.693 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000423829469 446717147 /nfs/dbraw/zinc/71/71/47/446717147.db2.gz PBYOQKDDZPBPLI-BFHYXJOUSA-N 2 2 327.400 1.489 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000423829469 446717152 /nfs/dbraw/zinc/71/71/52/446717152.db2.gz PBYOQKDDZPBPLI-BFHYXJOUSA-N 2 2 327.400 1.489 20 0 EDADLP O[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000376789336 446718680 /nfs/dbraw/zinc/71/86/80/446718680.db2.gz WULDBXJAAFSDKO-QZTJIDSGSA-N 2 2 325.497 1.066 20 0 EDADLP O[C@@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000376789336 446718687 /nfs/dbraw/zinc/71/86/87/446718687.db2.gz WULDBXJAAFSDKO-QZTJIDSGSA-N 2 2 325.497 1.066 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCN1C ZINC000423868403 446735387 /nfs/dbraw/zinc/73/53/87/446735387.db2.gz NLRHCAKGDANAEB-FZKCQIBNSA-N 2 2 331.464 1.156 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)cn1 ZINC000423753330 446682893 /nfs/dbraw/zinc/68/28/93/446682893.db2.gz GXUHPUHQQSUBSO-BZSNNMDCSA-N 2 2 345.491 1.375 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)cn1 ZINC000423753330 446682903 /nfs/dbraw/zinc/68/29/03/446682903.db2.gz GXUHPUHQQSUBSO-BZSNNMDCSA-N 2 2 345.491 1.375 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418764072 446683307 /nfs/dbraw/zinc/68/33/07/446683307.db2.gz NRRKVQSDJNNHFA-GXTWGEPZSA-N 2 2 332.439 1.603 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)C[C@@H]1C ZINC000423891498 446746163 /nfs/dbraw/zinc/74/61/63/446746163.db2.gz JGIQHRDGWGHOSG-WMLDXEAASA-N 2 2 333.432 1.091 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)C[C@@H]1C ZINC000423891498 446746169 /nfs/dbraw/zinc/74/61/69/446746169.db2.gz JGIQHRDGWGHOSG-WMLDXEAASA-N 2 2 333.432 1.091 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371293459 446749691 /nfs/dbraw/zinc/74/96/91/446749691.db2.gz GRPDDWJIQYLPHA-UYTYNIKBSA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371293459 446749701 /nfs/dbraw/zinc/74/97/01/446749701.db2.gz GRPDDWJIQYLPHA-UYTYNIKBSA-N 2 2 337.508 1.865 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376863335 446760994 /nfs/dbraw/zinc/76/09/94/446760994.db2.gz BOAJTELEQQSQHW-UONOGXRCSA-N 2 2 347.507 1.757 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376863335 446760999 /nfs/dbraw/zinc/76/09/99/446760999.db2.gz BOAJTELEQQSQHW-UONOGXRCSA-N 2 2 347.507 1.757 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000623178119 450435775 /nfs/dbraw/zinc/43/57/75/450435775.db2.gz DCSGOZWYSRANGI-ZBFHGGJFSA-N 2 2 328.391 1.758 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000423916833 446764686 /nfs/dbraw/zinc/76/46/86/446764686.db2.gz NKIBMJFOCJABKJ-SWHYSGLUSA-N 2 2 326.416 1.447 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000423916833 446764694 /nfs/dbraw/zinc/76/46/94/446764694.db2.gz NKIBMJFOCJABKJ-SWHYSGLUSA-N 2 2 326.416 1.447 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423915618 446765659 /nfs/dbraw/zinc/76/56/59/446765659.db2.gz MGRLYNIVUQPPKG-MJBXVCDLSA-N 2 2 325.453 1.919 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423915618 446765662 /nfs/dbraw/zinc/76/56/62/446765662.db2.gz MGRLYNIVUQPPKG-MJBXVCDLSA-N 2 2 325.453 1.919 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000423918415 446766622 /nfs/dbraw/zinc/76/66/22/446766622.db2.gz PIYAEDYSTPLYFH-HRCADAONSA-N 2 2 339.459 1.022 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000423918415 446766629 /nfs/dbraw/zinc/76/66/29/446766629.db2.gz PIYAEDYSTPLYFH-HRCADAONSA-N 2 2 339.459 1.022 20 0 EDADLP C[C@](O)(C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000371320480 446771691 /nfs/dbraw/zinc/77/16/91/446771691.db2.gz DVPYUWWAOWBRSL-HKUYNNGSSA-N 2 2 331.460 1.308 20 0 EDADLP C[C@](O)(C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000371320480 446771697 /nfs/dbraw/zinc/77/16/97/446771697.db2.gz DVPYUWWAOWBRSL-HKUYNNGSSA-N 2 2 331.460 1.308 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000423923112 446773565 /nfs/dbraw/zinc/77/35/65/446773565.db2.gz XCSDUMBGJZICIW-GRDNDAEWSA-N 2 2 338.427 1.320 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000423923112 446773573 /nfs/dbraw/zinc/77/35/73/446773573.db2.gz XCSDUMBGJZICIW-GRDNDAEWSA-N 2 2 338.427 1.320 20 0 EDADLP CCOC(=O)c1coc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000418891963 446777885 /nfs/dbraw/zinc/77/78/85/446777885.db2.gz VHLWOJMAEBPOEI-YIONKMFJSA-N 2 2 348.447 1.599 20 0 EDADLP CCOC(=O)c1coc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000418891963 446777890 /nfs/dbraw/zinc/77/78/90/446777890.db2.gz VHLWOJMAEBPOEI-YIONKMFJSA-N 2 2 348.447 1.599 20 0 EDADLP [NH3+]C1(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CCCC1 ZINC000423934670 446785186 /nfs/dbraw/zinc/78/51/86/446785186.db2.gz ZOXOSKSADMHBPN-HNNXBMFYSA-N 2 2 344.459 1.933 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc(C)[nH+]1 ZINC000420846433 446854289 /nfs/dbraw/zinc/85/42/89/446854289.db2.gz JCUOXIQIEQJXLV-KRWDZBQOSA-N 2 2 334.464 1.854 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc(C)[nH+]1 ZINC000420846433 446854298 /nfs/dbraw/zinc/85/42/98/446854298.db2.gz JCUOXIQIEQJXLV-KRWDZBQOSA-N 2 2 334.464 1.854 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000419008703 446863884 /nfs/dbraw/zinc/86/38/84/446863884.db2.gz UMWKWTAMOSTBLB-NVXWUHKLSA-N 2 2 346.475 1.276 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000419008703 446863892 /nfs/dbraw/zinc/86/38/92/446863892.db2.gz UMWKWTAMOSTBLB-NVXWUHKLSA-N 2 2 346.475 1.276 20 0 EDADLP [NH3+]CCc1nc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cs1 ZINC000368448232 446867918 /nfs/dbraw/zinc/86/79/18/446867918.db2.gz YTWWHABORLZMDE-UHFFFAOYSA-N 2 2 328.401 1.155 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420894228 446873061 /nfs/dbraw/zinc/87/30/61/446873061.db2.gz RFEOHAMGTFBPPQ-VXLLPVPCSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420920977 446889228 /nfs/dbraw/zinc/88/92/28/446889228.db2.gz KUFTXOZNGMUZJZ-QGZVFWFLSA-N 2 2 333.476 1.017 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000377064656 446896660 /nfs/dbraw/zinc/89/66/60/446896660.db2.gz DCCTUKOBLWZGIR-NVXWUHKLSA-N 2 2 333.480 1.361 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000368508546 446908387 /nfs/dbraw/zinc/90/83/87/446908387.db2.gz TUGAKCKMPJQYMP-HNNXBMFYSA-N 2 2 346.475 1.469 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000368508546 446908393 /nfs/dbraw/zinc/90/83/93/446908393.db2.gz TUGAKCKMPJQYMP-HNNXBMFYSA-N 2 2 346.475 1.469 20 0 EDADLP COC(=O)c1ccc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000368508546 446908402 /nfs/dbraw/zinc/90/84/02/446908402.db2.gz TUGAKCKMPJQYMP-HNNXBMFYSA-N 2 2 346.475 1.469 20 0 EDADLP COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420965060 446934349 /nfs/dbraw/zinc/93/43/49/446934349.db2.gz OTTMKHDTAPQWKS-SFHVURJKSA-N 2 2 348.443 1.283 20 0 EDADLP COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420965060 446934352 /nfs/dbraw/zinc/93/43/52/446934352.db2.gz OTTMKHDTAPQWKS-SFHVURJKSA-N 2 2 348.443 1.283 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)Cc2cccc(C[NH+]3CCOCC3)c2)[N@H+](C)C1 ZINC000420968991 446938383 /nfs/dbraw/zinc/93/83/83/446938383.db2.gz XTLPWVFNHZLXBL-PMACEKPBSA-N 2 2 347.503 1.670 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)Cc2cccc(C[NH+]3CCOCC3)c2)[N@@H+](C)C1 ZINC000420968991 446938390 /nfs/dbraw/zinc/93/83/90/446938390.db2.gz XTLPWVFNHZLXBL-PMACEKPBSA-N 2 2 347.503 1.670 20 0 EDADLP CO[C@H]1C[C@@H](C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)N(C)C1 ZINC000420968991 446938397 /nfs/dbraw/zinc/93/83/97/446938397.db2.gz XTLPWVFNHZLXBL-PMACEKPBSA-N 2 2 347.503 1.670 20 0 EDADLP CO[C@H]1C[C@@H](C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)N(C)C1 ZINC000420968991 446938403 /nfs/dbraw/zinc/93/84/03/446938403.db2.gz XTLPWVFNHZLXBL-PMACEKPBSA-N 2 2 347.503 1.670 20 0 EDADLP OC[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC000420971751 446944023 /nfs/dbraw/zinc/94/40/23/446944023.db2.gz KOVWVXFMRXSHSJ-QGZVFWFLSA-N 2 2 340.414 1.968 20 0 EDADLP OC[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCC1(F)F ZINC000420971751 446944027 /nfs/dbraw/zinc/94/40/27/446944027.db2.gz KOVWVXFMRXSHSJ-QGZVFWFLSA-N 2 2 340.414 1.968 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442775914 446963210 /nfs/dbraw/zinc/96/32/10/446963210.db2.gz CNGDLIOWQKHIAD-SJPCQFCGSA-N 2 2 344.459 1.590 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442775914 446963217 /nfs/dbraw/zinc/96/32/17/446963217.db2.gz CNGDLIOWQKHIAD-SJPCQFCGSA-N 2 2 344.459 1.590 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)C(=O)NCC([NH3+])(CC)CC)c[nH+]1 ZINC000419208611 447012571 /nfs/dbraw/zinc/01/25/71/447012571.db2.gz RIQYNYNQKSMVHC-UHFFFAOYSA-N 2 2 349.479 1.178 20 0 EDADLP C[C@@H]1CN(C(=O)CC2(O)CCCCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000375785230 447046514 /nfs/dbraw/zinc/04/65/14/447046514.db2.gz CFIOXWHQANVLTG-MRXNPFEDSA-N 2 2 337.508 1.699 20 0 EDADLP C[C@@H]1CN(C(=O)CC2(O)CCCCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375785230 447046523 /nfs/dbraw/zinc/04/65/23/447046523.db2.gz CFIOXWHQANVLTG-MRXNPFEDSA-N 2 2 337.508 1.699 20 0 EDADLP C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000413206849 447069280 /nfs/dbraw/zinc/06/92/80/447069280.db2.gz CEJRVERUDADVPI-GDBMZVCRSA-N 2 2 330.480 1.513 20 0 EDADLP C[C@H](O)C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372232197 447028685 /nfs/dbraw/zinc/02/86/85/447028685.db2.gz GKPJTOWKHVVAIH-ZOBUZTSGSA-N 2 2 338.496 1.100 20 0 EDADLP C[C@H](O)C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372232197 447028687 /nfs/dbraw/zinc/02/86/87/447028687.db2.gz GKPJTOWKHVVAIH-ZOBUZTSGSA-N 2 2 338.496 1.100 20 0 EDADLP CC[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000372535160 447117530 /nfs/dbraw/zinc/11/75/30/447117530.db2.gz ZPOIDQADSATNHP-RLFYNMQTSA-N 2 2 335.496 1.650 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000372535160 447117535 /nfs/dbraw/zinc/11/75/35/447117535.db2.gz ZPOIDQADSATNHP-RLFYNMQTSA-N 2 2 335.496 1.650 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000372535160 447117539 /nfs/dbraw/zinc/11/75/39/447117539.db2.gz ZPOIDQADSATNHP-RLFYNMQTSA-N 2 2 335.496 1.650 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000372535160 447117543 /nfs/dbraw/zinc/11/75/43/447117543.db2.gz ZPOIDQADSATNHP-RLFYNMQTSA-N 2 2 335.496 1.650 20 0 EDADLP CN(C)c1[nH+]cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1C ZINC000425329797 447119308 /nfs/dbraw/zinc/11/93/08/447119308.db2.gz ANLZMCFXCSKTKM-UHFFFAOYSA-N 3 2 335.496 1.563 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000372539136 447121390 /nfs/dbraw/zinc/12/13/90/447121390.db2.gz OVAHJCDCWAGVRT-CVEARBPZSA-N 2 2 346.479 1.177 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000372539136 447121399 /nfs/dbraw/zinc/12/13/99/447121399.db2.gz OVAHJCDCWAGVRT-CVEARBPZSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000372539136 447121407 /nfs/dbraw/zinc/12/14/07/447121407.db2.gz OVAHJCDCWAGVRT-CVEARBPZSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000372539136 447121413 /nfs/dbraw/zinc/12/14/13/447121413.db2.gz OVAHJCDCWAGVRT-CVEARBPZSA-N 2 2 346.479 1.177 20 0 EDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444174328 447088022 /nfs/dbraw/zinc/08/80/22/447088022.db2.gz FSOYGVLJHDTOEO-SWLSCSKDSA-N 2 2 349.232 1.713 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](C4CC4)C3)C2)CC1 ZINC000377377643 447098346 /nfs/dbraw/zinc/09/83/46/447098346.db2.gz HTZQPRAOIVNBOV-IAGOWNOFSA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](C4CC4)C3)C2)CC1 ZINC000377377643 447098351 /nfs/dbraw/zinc/09/83/51/447098351.db2.gz HTZQPRAOIVNBOV-IAGOWNOFSA-N 2 2 334.508 1.987 20 0 EDADLP CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425386937 447136676 /nfs/dbraw/zinc/13/66/76/447136676.db2.gz ULOIQSYKZFPEKO-KRWDZBQOSA-N 2 2 338.452 1.278 20 0 EDADLP CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425386937 447136677 /nfs/dbraw/zinc/13/66/77/447136677.db2.gz ULOIQSYKZFPEKO-KRWDZBQOSA-N 2 2 338.452 1.278 20 0 EDADLP O[C@H]1CCC[C@H]1[NH+]1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000375906397 447137350 /nfs/dbraw/zinc/13/73/50/447137350.db2.gz PAAMJKXJJVIWHV-CVEARBPZSA-N 2 2 331.464 1.502 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000368825000 447138060 /nfs/dbraw/zinc/13/80/60/447138060.db2.gz SJPVNLOBEKNIFY-UHFFFAOYSA-N 2 2 340.431 1.505 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425398883 447144611 /nfs/dbraw/zinc/14/46/11/447144611.db2.gz CUZUAQCXRIVPQJ-SJORKVTESA-N 2 2 336.524 1.488 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425398883 447144617 /nfs/dbraw/zinc/14/46/17/447144617.db2.gz CUZUAQCXRIVPQJ-SJORKVTESA-N 2 2 336.524 1.488 20 0 EDADLP CCCn1ncnc1CN1CC[NH+](C2CC[NH+](CCC)CC2)CC1 ZINC000375917992 447147726 /nfs/dbraw/zinc/14/77/26/447147726.db2.gz IMXTULMTNQHPPN-UHFFFAOYSA-N 2 2 334.512 1.680 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)[nH+]c2c1 ZINC000419416934 447161571 /nfs/dbraw/zinc/16/15/71/447161571.db2.gz AJLJAHROMXJERU-CABCVRRESA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)[nH+]c2c1 ZINC000419416934 447161580 /nfs/dbraw/zinc/16/15/80/447161580.db2.gz AJLJAHROMXJERU-CABCVRRESA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1 ZINC000413815472 447254386 /nfs/dbraw/zinc/25/43/86/447254386.db2.gz JGCVQIYYFWCGBT-INIZCTEOSA-N 2 2 342.443 1.757 20 0 EDADLP CC1CCC(O)(C[NH+]2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000368997363 447254798 /nfs/dbraw/zinc/25/47/98/447254798.db2.gz CZIPJUIIEBTURR-ARWYELJZSA-N 2 2 344.521 1.169 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CC[C@H](O)c1ccccc1 ZINC000377581161 447221006 /nfs/dbraw/zinc/22/10/06/447221006.db2.gz LQAJSUYZXUFKGF-SXLOBPIMSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CC[C@H](O)c1ccccc1 ZINC000377581161 447221013 /nfs/dbraw/zinc/22/10/13/447221013.db2.gz LQAJSUYZXUFKGF-SXLOBPIMSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000377581161 447221023 /nfs/dbraw/zinc/22/10/23/447221023.db2.gz LQAJSUYZXUFKGF-SXLOBPIMSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CC[C@H](O)c1ccccc1 ZINC000377581161 447221031 /nfs/dbraw/zinc/22/10/31/447221031.db2.gz LQAJSUYZXUFKGF-SXLOBPIMSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CC2(CO)CC2)CC1 ZINC000446061807 447224878 /nfs/dbraw/zinc/22/48/78/447224878.db2.gz OGUSAMZUFGPHSD-KRWDZBQOSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC2(CO)CC2)CC1 ZINC000446061807 447224892 /nfs/dbraw/zinc/22/48/92/447224892.db2.gz OGUSAMZUFGPHSD-KRWDZBQOSA-N 2 2 345.487 1.596 20 0 EDADLP CN(CCC[N@H+](C)Cc1nc(-c2ccccn2)no1)CC[NH+](C)C ZINC000377601640 447235761 /nfs/dbraw/zinc/23/57/61/447235761.db2.gz AHTVFACSHSWGPK-UHFFFAOYSA-N 2 2 332.452 1.447 20 0 EDADLP CN(CCC[N@@H+](C)Cc1nc(-c2ccccn2)no1)CC[NH+](C)C ZINC000377601640 447235768 /nfs/dbraw/zinc/23/57/68/447235768.db2.gz AHTVFACSHSWGPK-UHFFFAOYSA-N 2 2 332.452 1.447 20 0 EDADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000376057832 447241532 /nfs/dbraw/zinc/24/15/32/447241532.db2.gz RIOIASRXTKJMOT-IXDOHACOSA-N 2 2 346.537 1.679 20 0 EDADLP CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000376057832 447241538 /nfs/dbraw/zinc/24/15/38/447241538.db2.gz RIOIASRXTKJMOT-IXDOHACOSA-N 2 2 346.537 1.679 20 0 EDADLP Cc1ccccc1OCC[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000369050975 447289978 /nfs/dbraw/zinc/28/99/78/447289978.db2.gz OSUNTDVVBVHZNH-GOSISDBHSA-N 2 2 333.476 1.322 20 0 EDADLP Cc1ccccc1OCC[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000369050975 447289981 /nfs/dbraw/zinc/28/99/81/447289981.db2.gz OSUNTDVVBVHZNH-GOSISDBHSA-N 2 2 333.476 1.322 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000369056171 447292790 /nfs/dbraw/zinc/29/27/90/447292790.db2.gz QNJPKDSDQMJAKK-JKSUJKDBSA-N 2 2 334.464 1.939 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000369056171 447292796 /nfs/dbraw/zinc/29/27/96/447292796.db2.gz QNJPKDSDQMJAKK-JKSUJKDBSA-N 2 2 334.464 1.939 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC([NH+]2CCCC2)CC1 ZINC000369014738 447263054 /nfs/dbraw/zinc/26/30/54/447263054.db2.gz DTSOLRZIWWANQH-UHFFFAOYSA-N 2 2 325.416 1.968 20 0 EDADLP Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc(-c2ccncc2)[nH+]1 ZINC000377636624 447263245 /nfs/dbraw/zinc/26/32/45/447263245.db2.gz JHSWYNZSPAHKCH-JKSUJKDBSA-N 2 2 325.416 1.544 20 0 EDADLP Cc1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc(-c2ccncc2)[nH+]1 ZINC000377636624 447263256 /nfs/dbraw/zinc/26/32/56/447263256.db2.gz JHSWYNZSPAHKCH-JKSUJKDBSA-N 2 2 325.416 1.544 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3nc(C)cc3C)CC2)CC1 ZINC000422002248 447303608 /nfs/dbraw/zinc/30/36/08/447303608.db2.gz AKCKQOVIAVSADV-UHFFFAOYSA-N 2 2 347.507 1.519 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3nc(C)cc3C)CC2)CC1 ZINC000422002248 447303610 /nfs/dbraw/zinc/30/36/10/447303610.db2.gz AKCKQOVIAVSADV-UHFFFAOYSA-N 2 2 347.507 1.519 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419850407 447450285 /nfs/dbraw/zinc/45/02/85/447450285.db2.gz GDKIMPLUWGVYDM-HNNXBMFYSA-N 2 2 347.463 1.215 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419853235 447452189 /nfs/dbraw/zinc/45/21/89/447452189.db2.gz DTLKWVFQGMUULW-GJZGRUSLSA-N 2 2 347.463 1.072 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408032 447462255 /nfs/dbraw/zinc/46/22/55/447462255.db2.gz BZAJOJMVENLKFH-VQTJNVASSA-N 3 2 331.504 1.945 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408032 447462263 /nfs/dbraw/zinc/46/22/63/447462263.db2.gz BZAJOJMVENLKFH-VQTJNVASSA-N 3 2 331.504 1.945 20 0 EDADLP CC(C)n1ncnc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390944326 447506100 /nfs/dbraw/zinc/50/61/00/447506100.db2.gz RXOWCZPSWFLCPI-UHFFFAOYSA-N 2 2 342.491 1.766 20 0 EDADLP COc1cc(-c2noc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)n2)ncn1 ZINC000450499638 447508569 /nfs/dbraw/zinc/50/85/69/447508569.db2.gz JIEANMDOMIOPNR-TZMCWYRMSA-N 2 2 344.419 1.451 20 0 EDADLP COc1cc(-c2noc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)n2)ncn1 ZINC000450499638 447508574 /nfs/dbraw/zinc/50/85/74/447508574.db2.gz JIEANMDOMIOPNR-TZMCWYRMSA-N 2 2 344.419 1.451 20 0 EDADLP COc1cc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)n2)ncn1 ZINC000450499638 447508580 /nfs/dbraw/zinc/50/85/80/447508580.db2.gz JIEANMDOMIOPNR-TZMCWYRMSA-N 2 2 344.419 1.451 20 0 EDADLP COc1cc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)n2)ncn1 ZINC000450499638 447508587 /nfs/dbraw/zinc/50/85/87/447508587.db2.gz JIEANMDOMIOPNR-TZMCWYRMSA-N 2 2 344.419 1.451 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000426564615 447472748 /nfs/dbraw/zinc/47/27/48/447472748.db2.gz GWZAJTFEGINQFX-SJORKVTESA-N 2 2 349.479 1.292 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000457432625 447579751 /nfs/dbraw/zinc/57/97/51/447579751.db2.gz DUNUEVHCFIKMQS-SFHVURJKSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000457432625 447579757 /nfs/dbraw/zinc/57/97/57/447579757.db2.gz DUNUEVHCFIKMQS-SFHVURJKSA-N 2 2 338.496 1.225 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000457530157 447588811 /nfs/dbraw/zinc/58/88/11/447588811.db2.gz HYMCEIYBCKRIKM-CALCHBBNSA-N 2 2 338.496 1.271 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000457530157 447588815 /nfs/dbraw/zinc/58/88/15/447588815.db2.gz HYMCEIYBCKRIKM-CALCHBBNSA-N 2 2 338.496 1.271 20 0 EDADLP COC(=O)N1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000495726566 447562582 /nfs/dbraw/zinc/56/25/82/447562582.db2.gz FZOACZAGSHBMEA-GOSISDBHSA-N 2 2 347.459 1.226 20 0 EDADLP COC(=O)N1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000495726566 447562585 /nfs/dbraw/zinc/56/25/85/447562585.db2.gz FZOACZAGSHBMEA-GOSISDBHSA-N 2 2 347.459 1.226 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1CC[NH3+] ZINC000404256217 447598412 /nfs/dbraw/zinc/59/84/12/447598412.db2.gz ATYXSGLPSYTNFV-RHSMWYFYSA-N 2 2 339.505 1.886 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1CC[NH3+] ZINC000404256217 447598417 /nfs/dbraw/zinc/59/84/17/447598417.db2.gz ATYXSGLPSYTNFV-RHSMWYFYSA-N 2 2 339.505 1.886 20 0 EDADLP COc1ccc([C@H](NC(=O)N2CC[NH2+][C@@H](C)C2)c2[nH+]ccn2C)cc1 ZINC000416904465 447704213 /nfs/dbraw/zinc/70/42/13/447704213.db2.gz HPBHOSSHDQHUDU-BBRMVZONSA-N 2 2 343.431 1.521 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)[C@@H](C)C1 ZINC000422591745 447659710 /nfs/dbraw/zinc/65/97/10/447659710.db2.gz RNMBMFOUBAROCF-SUMWQHHRSA-N 2 2 346.475 1.503 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)[C@@H](C)C1 ZINC000422591745 447659714 /nfs/dbraw/zinc/65/97/14/447659714.db2.gz RNMBMFOUBAROCF-SUMWQHHRSA-N 2 2 346.475 1.503 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422594552 447662318 /nfs/dbraw/zinc/66/23/18/447662318.db2.gz WLLAIHVSTPBMJF-UHFFFAOYSA-N 2 2 348.491 1.895 20 0 EDADLP CCNc1nc(N2CCC([NH2+]CC3CC3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000420206523 447670689 /nfs/dbraw/zinc/67/06/89/447670689.db2.gz VQMRUENXQPFUSN-UHFFFAOYSA-N 2 2 347.511 1.904 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC([NH2+]CC3CC3)CC2)[nH+]1 ZINC000420206523 447670693 /nfs/dbraw/zinc/67/06/93/447670693.db2.gz VQMRUENXQPFUSN-UHFFFAOYSA-N 2 2 347.511 1.904 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000420206523 447670697 /nfs/dbraw/zinc/67/06/97/447670697.db2.gz VQMRUENXQPFUSN-UHFFFAOYSA-N 2 2 347.511 1.904 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000428288375 447687316 /nfs/dbraw/zinc/68/73/16/447687316.db2.gz RKEJUDHAXUDZRM-DLBZAZTESA-N 2 2 334.460 1.801 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000428288375 447687321 /nfs/dbraw/zinc/68/73/21/447687321.db2.gz RKEJUDHAXUDZRM-DLBZAZTESA-N 2 2 334.460 1.801 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416807958 447688666 /nfs/dbraw/zinc/68/86/66/447688666.db2.gz HOXQJCVIUGWXOA-DOTOQJQBSA-N 2 2 334.464 1.314 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416807958 447688671 /nfs/dbraw/zinc/68/86/71/447688671.db2.gz HOXQJCVIUGWXOA-DOTOQJQBSA-N 2 2 334.464 1.314 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416938259 447716051 /nfs/dbraw/zinc/71/60/51/447716051.db2.gz KSOWSINWVIMSMY-CVEARBPZSA-N 2 2 331.464 1.999 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000422696552 447718606 /nfs/dbraw/zinc/71/86/06/447718606.db2.gz RUIKTRNVIYUOOO-APWZRJJASA-N 3 2 333.476 1.375 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)C[C@@H]21 ZINC000416945066 447720333 /nfs/dbraw/zinc/72/03/33/447720333.db2.gz MJJOBDASKHVBDG-CWRNSKLLSA-N 2 2 327.432 1.646 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)CC[NH2+]CC1 ZINC000422701047 447720472 /nfs/dbraw/zinc/72/04/72/447720472.db2.gz BBNVAMOZOOQYCG-HOTGVXAUSA-N 3 2 341.496 1.008 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCOC)CC[NH2+]CC1 ZINC000422701047 447720476 /nfs/dbraw/zinc/72/04/76/447720476.db2.gz BBNVAMOZOOQYCG-HOTGVXAUSA-N 3 2 341.496 1.008 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416950093 447723452 /nfs/dbraw/zinc/72/34/52/447723452.db2.gz HQWHWRAVZWWBBX-KRWDZBQOSA-N 2 2 341.459 1.867 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459634574 447727269 /nfs/dbraw/zinc/72/72/69/447727269.db2.gz OIZNWHUBEPCKFR-ACJLOTCBSA-N 2 2 344.415 1.223 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459634574 447727271 /nfs/dbraw/zinc/72/72/71/447727271.db2.gz OIZNWHUBEPCKFR-ACJLOTCBSA-N 2 2 344.415 1.223 20 0 EDADLP COc1ccc(CCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000422724724 447729659 /nfs/dbraw/zinc/72/96/59/447729659.db2.gz WLHBWDICRWEZAJ-OALUTQOASA-N 2 2 334.460 1.993 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000459645239 447730267 /nfs/dbraw/zinc/73/02/67/447730267.db2.gz LCVYKZJBJCERCN-HOTGVXAUSA-N 2 2 337.489 1.701 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000459645239 447730269 /nfs/dbraw/zinc/73/02/69/447730269.db2.gz LCVYKZJBJCERCN-HOTGVXAUSA-N 2 2 337.489 1.701 20 0 EDADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422759030 447741169 /nfs/dbraw/zinc/74/11/69/447741169.db2.gz FJSDRZQIPFTCHZ-QZTJIDSGSA-N 2 2 336.432 1.569 20 0 EDADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000422760117 447742716 /nfs/dbraw/zinc/74/27/16/447742716.db2.gz LQAPNJZGWUZZGD-MJGOQNOKSA-N 3 2 347.503 1.875 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H](C[NH3+])CC(C)C)CC2 ZINC000422838566 447765597 /nfs/dbraw/zinc/76/55/97/447765597.db2.gz XMTDYKKVXPMYPG-MRXNPFEDSA-N 2 2 349.475 1.552 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H](C[NH3+])CC(C)C)CC2 ZINC000422838566 447765600 /nfs/dbraw/zinc/76/56/00/447765600.db2.gz XMTDYKKVXPMYPG-MRXNPFEDSA-N 2 2 349.475 1.552 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422821527 447759174 /nfs/dbraw/zinc/75/91/74/447759174.db2.gz WTDCTUFDFLNESE-ZWKOTPCHSA-N 3 2 331.508 1.844 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496374670 447760170 /nfs/dbraw/zinc/76/01/70/447760170.db2.gz DOJGPNVLKWQTDK-CABCVRRESA-N 2 2 329.485 1.975 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000496374670 447760175 /nfs/dbraw/zinc/76/01/75/447760175.db2.gz DOJGPNVLKWQTDK-CABCVRRESA-N 2 2 329.485 1.975 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496546465 447815523 /nfs/dbraw/zinc/81/55/23/447815523.db2.gz HBBIVXAVXQAMFI-OAHLLOKOSA-N 2 2 338.452 1.807 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496546465 447815526 /nfs/dbraw/zinc/81/55/26/447815526.db2.gz HBBIVXAVXQAMFI-OAHLLOKOSA-N 2 2 338.452 1.807 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000422849169 447768523 /nfs/dbraw/zinc/76/85/23/447768523.db2.gz UTHKEPYSFJVSBM-RTBURBONSA-N 2 2 345.487 1.577 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422849169 447768528 /nfs/dbraw/zinc/76/85/28/447768528.db2.gz UTHKEPYSFJVSBM-RTBURBONSA-N 2 2 345.487 1.577 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000422915836 447772160 /nfs/dbraw/zinc/77/21/60/447772160.db2.gz ZFOQPJKCKKDNET-CVEARBPZSA-N 3 2 341.496 1.008 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000459900957 447774821 /nfs/dbraw/zinc/77/48/21/447774821.db2.gz JDRINJPBIXEDGZ-OAHLLOKOSA-N 2 2 349.479 1.162 20 0 EDADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422977033 447786493 /nfs/dbraw/zinc/78/64/93/447786493.db2.gz JGFHUZOIAAOXHO-DNVCBOLYSA-N 3 2 326.444 1.782 20 0 EDADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422977033 447786494 /nfs/dbraw/zinc/78/64/94/447786494.db2.gz JGFHUZOIAAOXHO-DNVCBOLYSA-N 3 2 326.444 1.782 20 0 EDADLP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000430929380 447787758 /nfs/dbraw/zinc/78/77/58/447787758.db2.gz WFQCOXGKXCHHBW-QGZVFWFLSA-N 3 2 344.503 1.390 20 0 EDADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000423111600 447807036 /nfs/dbraw/zinc/80/70/36/447807036.db2.gz QRAZYODNWYCJLZ-BHYGNILZSA-N 2 2 339.505 1.349 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)[C@@H](C)C1 ZINC000488502883 447847857 /nfs/dbraw/zinc/84/78/57/447847857.db2.gz ISETZUXDHRWLFH-ZJQCNOOHSA-N 2 2 333.480 1.239 20 0 EDADLP Cc1nc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC000487251229 447828613 /nfs/dbraw/zinc/82/86/13/447828613.db2.gz GAEMXRVYMOMABD-FVQBIDKESA-N 2 2 349.479 1.389 20 0 EDADLP Cc1nc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC000487251229 447828616 /nfs/dbraw/zinc/82/86/16/447828616.db2.gz GAEMXRVYMOMABD-FVQBIDKESA-N 2 2 349.479 1.389 20 0 EDADLP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)no1 ZINC000487251229 447828617 /nfs/dbraw/zinc/82/86/17/447828617.db2.gz GAEMXRVYMOMABD-FVQBIDKESA-N 2 2 349.479 1.389 20 0 EDADLP Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)no1 ZINC000487251229 447828619 /nfs/dbraw/zinc/82/86/19/447828619.db2.gz GAEMXRVYMOMABD-FVQBIDKESA-N 2 2 349.479 1.389 20 0 EDADLP OC1(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CCCC1 ZINC000575741724 447887089 /nfs/dbraw/zinc/88/70/89/447887089.db2.gz QOZAFHWNUCSMJM-UHFFFAOYSA-N 2 2 334.460 1.792 20 0 EDADLP C[C@@H]1C[C@@H](O)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000530461028 447892004 /nfs/dbraw/zinc/89/20/04/447892004.db2.gz QNTOUBVGYFVGQS-HZPDHXFCSA-N 2 2 338.496 1.101 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+]1CC(C)C1 ZINC000569824096 447901001 /nfs/dbraw/zinc/90/10/01/447901001.db2.gz FUIMBDOHHCTIOO-HLLBOEOZSA-N 2 2 333.480 1.259 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+]1CC(C)C1 ZINC000569824096 447901003 /nfs/dbraw/zinc/90/10/03/447901003.db2.gz FUIMBDOHHCTIOO-HLLBOEOZSA-N 2 2 333.480 1.259 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000575983693 447943481 /nfs/dbraw/zinc/94/34/81/447943481.db2.gz QQDGKCPXLJHWHF-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000575983693 447943486 /nfs/dbraw/zinc/94/34/86/447943486.db2.gz QQDGKCPXLJHWHF-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000575983693 447943492 /nfs/dbraw/zinc/94/34/92/447943492.db2.gz QQDGKCPXLJHWHF-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000575983693 447943496 /nfs/dbraw/zinc/94/34/96/447943496.db2.gz QQDGKCPXLJHWHF-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000496830816 447950041 /nfs/dbraw/zinc/95/00/41/447950041.db2.gz VHUZNHRNIVJPRS-LSDHHAIUSA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000496830816 447950044 /nfs/dbraw/zinc/95/00/44/447950044.db2.gz VHUZNHRNIVJPRS-LSDHHAIUSA-N 2 2 327.469 1.432 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[NH+](C2CCC2)CC1 ZINC000524175610 447919372 /nfs/dbraw/zinc/91/93/72/447919372.db2.gz GHUYEBADHJROHG-UHFFFAOYSA-N 2 2 345.369 1.825 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])Oc1cccc(C)c1 ZINC000575900101 447925014 /nfs/dbraw/zinc/92/50/14/447925014.db2.gz DDMZTLAIJWSLHO-CVEARBPZSA-N 2 2 334.464 1.437 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])Oc1cccc(C)c1 ZINC000575900101 447925020 /nfs/dbraw/zinc/92/50/20/447925020.db2.gz DDMZTLAIJWSLHO-CVEARBPZSA-N 2 2 334.464 1.437 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000525485289 448001425 /nfs/dbraw/zinc/00/14/25/448001425.db2.gz AXVDXGONIZEABB-HDICACEKSA-N 2 2 344.503 1.798 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000525485289 448001426 /nfs/dbraw/zinc/00/14/26/448001426.db2.gz AXVDXGONIZEABB-HDICACEKSA-N 2 2 344.503 1.798 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000576091715 447968500 /nfs/dbraw/zinc/96/85/00/447968500.db2.gz JKXLJQCEDQLXDH-QGZVFWFLSA-N 2 2 339.443 1.834 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2 ZINC000570722227 448054996 /nfs/dbraw/zinc/05/49/96/448054996.db2.gz FIPPMACBBQFCQW-CHWSQXEVSA-N 2 2 335.448 1.304 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2 ZINC000570722227 448055000 /nfs/dbraw/zinc/05/50/00/448055000.db2.gz FIPPMACBBQFCQW-CHWSQXEVSA-N 2 2 335.448 1.304 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981557 448089718 /nfs/dbraw/zinc/08/97/18/448089718.db2.gz QWXYVGRHILIBFP-OLZOCXBDSA-N 2 2 348.413 1.931 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981557 448089722 /nfs/dbraw/zinc/08/97/22/448089722.db2.gz QWXYVGRHILIBFP-OLZOCXBDSA-N 2 2 348.413 1.931 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981557 448089727 /nfs/dbraw/zinc/08/97/27/448089727.db2.gz QWXYVGRHILIBFP-OLZOCXBDSA-N 2 2 348.413 1.931 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981557 448089731 /nfs/dbraw/zinc/08/97/31/448089731.db2.gz QWXYVGRHILIBFP-OLZOCXBDSA-N 2 2 348.413 1.931 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000531836435 448156766 /nfs/dbraw/zinc/15/67/66/448156766.db2.gz HQBUDAYIMWWKMK-JYJNAYRXSA-N 2 2 332.448 1.940 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000531836435 448156769 /nfs/dbraw/zinc/15/67/69/448156769.db2.gz HQBUDAYIMWWKMK-JYJNAYRXSA-N 2 2 332.448 1.940 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cn2)CC1 ZINC000571156470 448111840 /nfs/dbraw/zinc/11/18/40/448111840.db2.gz DBKSBZXHLQKKIA-QZTJIDSGSA-N 3 2 331.508 1.973 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000526975019 448128652 /nfs/dbraw/zinc/12/86/52/448128652.db2.gz VQUPJFFKSQUUSV-HZPDHXFCSA-N 2 2 348.495 1.530 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000526975019 448128654 /nfs/dbraw/zinc/12/86/54/448128654.db2.gz VQUPJFFKSQUUSV-HZPDHXFCSA-N 2 2 348.495 1.530 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)CCO1 ZINC000526992238 448134080 /nfs/dbraw/zinc/13/40/80/448134080.db2.gz XUXZXQNEBQPOSU-JCYILVPMSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)CCO1 ZINC000526992238 448134086 /nfs/dbraw/zinc/13/40/86/448134086.db2.gz XUXZXQNEBQPOSU-JCYILVPMSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc4c(n3)CCC4)CC2)CC1 ZINC000556787871 448151971 /nfs/dbraw/zinc/15/19/71/448151971.db2.gz BIMWXTRVEBLBCJ-UHFFFAOYSA-N 2 2 342.487 1.556 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C[N@@H+]1C1CC1 ZINC000531962069 448175855 /nfs/dbraw/zinc/17/58/55/448175855.db2.gz RNMMOHNQOFSRBY-KPAZRMRSSA-N 2 2 342.443 1.456 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C[N@H+]1C1CC1 ZINC000531962069 448175856 /nfs/dbraw/zinc/17/58/56/448175856.db2.gz RNMMOHNQOFSRBY-KPAZRMRSSA-N 2 2 342.443 1.456 20 0 EDADLP COc1cccc(C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000571634094 448182855 /nfs/dbraw/zinc/18/28/55/448182855.db2.gz IEKZLFHIICJOGR-LISAXSMJSA-N 2 2 336.476 1.686 20 0 EDADLP COc1cccc(C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000571634094 448182860 /nfs/dbraw/zinc/18/28/60/448182860.db2.gz IEKZLFHIICJOGR-LISAXSMJSA-N 2 2 336.476 1.686 20 0 EDADLP [NH3+]CCc1ccccc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000577001011 448189819 /nfs/dbraw/zinc/18/98/19/448189819.db2.gz ILWHTSOYTDIIED-UHFFFAOYSA-N 2 2 326.322 1.877 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000582414552 448229913 /nfs/dbraw/zinc/22/99/13/448229913.db2.gz DSZMCHAGBIOZFB-INWMFGNUSA-N 2 2 330.457 1.780 20 0 EDADLP CC1(C)CC(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC(C)(C)[NH2+]1 ZINC000514880379 448220343 /nfs/dbraw/zinc/22/03/43/448220343.db2.gz JGPIOGYGHRLNRN-UHFFFAOYSA-N 2 2 343.431 1.698 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)c[nH+]2)C[C@H](C)O1 ZINC000591096933 448260985 /nfs/dbraw/zinc/26/09/85/448260985.db2.gz NHWMHMFYGAFIIZ-IJEWVQPXSA-N 2 2 332.448 1.263 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)c[nH+]2)C[C@H](C)O1 ZINC000591096933 448260991 /nfs/dbraw/zinc/26/09/91/448260991.db2.gz NHWMHMFYGAFIIZ-IJEWVQPXSA-N 2 2 332.448 1.263 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000515221355 448278071 /nfs/dbraw/zinc/27/80/71/448278071.db2.gz IKCIAZIZKWRGFF-LSDHHAIUSA-N 2 2 343.406 1.762 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000515416122 448310809 /nfs/dbraw/zinc/31/08/09/448310809.db2.gz JLGVJQBVVDHQSS-GJZGRUSLSA-N 2 2 345.443 1.108 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000515416122 448310812 /nfs/dbraw/zinc/31/08/12/448310812.db2.gz JLGVJQBVVDHQSS-GJZGRUSLSA-N 2 2 345.443 1.108 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3sccc3Br)CCN2C1=O ZINC000515339847 448291974 /nfs/dbraw/zinc/29/19/74/448291974.db2.gz XSSZYEZWRPXSKH-WPRPVWTQSA-N 2 2 330.251 1.254 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3sccc3Br)CCN2C1=O ZINC000515339847 448291979 /nfs/dbraw/zinc/29/19/79/448291979.db2.gz XSSZYEZWRPXSKH-WPRPVWTQSA-N 2 2 330.251 1.254 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591451242 448369745 /nfs/dbraw/zinc/36/97/45/448369745.db2.gz PEQJFSLDVKOSRN-BEFAXECRSA-N 2 2 344.459 1.476 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591451242 448369749 /nfs/dbraw/zinc/36/97/49/448369749.db2.gz PEQJFSLDVKOSRN-BEFAXECRSA-N 2 2 344.459 1.476 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(F)cc1OC ZINC000527646335 448330083 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CSRQORYPAWPKDI-GFCCVEGCSA-N 2 2 337.493 1.394 20 0 EDADLP CSC1(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[NH+](C)CC1 ZINC000582997509 448397928 /nfs/dbraw/zinc/39/79/28/448397928.db2.gz CSRQORYPAWPKDI-GFCCVEGCSA-N 2 2 337.493 1.394 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(C)c1OC(F)F ZINC000566200020 448414440 /nfs/dbraw/zinc/41/44/40/448414440.db2.gz BXYAKHLEPMVTEE-ZDUSSCGKSA-N 2 2 327.375 1.620 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(C)c1OC(F)F ZINC000566200020 448414443 /nfs/dbraw/zinc/41/44/43/448414443.db2.gz BXYAKHLEPMVTEE-ZDUSSCGKSA-N 2 2 327.375 1.620 20 0 EDADLP c1cc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)n[nH]1 ZINC000533211683 448374838 /nfs/dbraw/zinc/37/48/38/448374838.db2.gz YCXLCUUHBZWQOK-UHFFFAOYSA-N 2 2 326.404 1.773 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000582912592 448378213 /nfs/dbraw/zinc/37/82/13/448378213.db2.gz VAWCIBIXRQVPEQ-UHFFFAOYSA-N 2 2 329.366 1.844 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000582912592 448378216 /nfs/dbraw/zinc/37/82/16/448378216.db2.gz VAWCIBIXRQVPEQ-UHFFFAOYSA-N 2 2 329.366 1.844 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCOc3c(Cl)cccc32)[C@H](C[NH3+])C1 ZINC000572618356 448425446 /nfs/dbraw/zinc/42/54/46/448425446.db2.gz KEOXLCRYTDTXJY-RISCZKNCSA-N 2 2 338.839 1.448 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCOc3c(Cl)cccc32)[C@H](C[NH3+])C1 ZINC000572618356 448425448 /nfs/dbraw/zinc/42/54/48/448425448.db2.gz KEOXLCRYTDTXJY-RISCZKNCSA-N 2 2 338.839 1.448 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000566243119 448427828 /nfs/dbraw/zinc/42/78/28/448427828.db2.gz YHUBVUMSGZBCNA-ROUUACIJSA-N 2 2 345.487 1.846 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000566243119 448427830 /nfs/dbraw/zinc/42/78/30/448427830.db2.gz YHUBVUMSGZBCNA-ROUUACIJSA-N 2 2 345.487 1.846 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000516568423 448440659 /nfs/dbraw/zinc/44/06/59/448440659.db2.gz BXFUCRAKEXALGX-OWCLPIDISA-N 2 2 339.480 1.285 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000516568423 448440664 /nfs/dbraw/zinc/44/06/64/448440664.db2.gz BXFUCRAKEXALGX-OWCLPIDISA-N 2 2 339.480 1.285 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000572705409 448442644 /nfs/dbraw/zinc/44/26/44/448442644.db2.gz GBDWKFRXJIEJAZ-KRWDZBQOSA-N 2 2 339.443 1.533 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000578081990 448458411 /nfs/dbraw/zinc/45/84/11/448458411.db2.gz OLTZBFWNLIZWRU-KRWDZBQOSA-N 2 2 325.884 1.770 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000578081990 448458413 /nfs/dbraw/zinc/45/84/13/448458413.db2.gz OLTZBFWNLIZWRU-KRWDZBQOSA-N 2 2 325.884 1.770 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000516762036 448469367 /nfs/dbraw/zinc/46/93/67/448469367.db2.gz SBTSRHMGBNUUAX-HXUWFJFHSA-N 3 2 346.519 1.243 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000516762036 448469372 /nfs/dbraw/zinc/46/93/72/448469372.db2.gz SBTSRHMGBNUUAX-HXUWFJFHSA-N 3 2 346.519 1.243 20 0 EDADLP Cc1[nH+]cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1C ZINC000566498906 448493506 /nfs/dbraw/zinc/49/35/06/448493506.db2.gz JFKQCTSORNGSLU-MJGOQNOKSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1[nH+]cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1C ZINC000566498906 448493509 /nfs/dbraw/zinc/49/35/09/448493509.db2.gz JFKQCTSORNGSLU-MJGOQNOKSA-N 2 2 328.460 1.701 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000591864622 448507173 /nfs/dbraw/zinc/50/71/73/448507173.db2.gz XBJZVZOPOAOXML-CABCVRRESA-N 2 2 331.464 1.582 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@H]3CC[N@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000591864622 448507176 /nfs/dbraw/zinc/50/71/76/448507176.db2.gz XBJZVZOPOAOXML-CABCVRRESA-N 2 2 331.464 1.582 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)[nH+]cn2)C1 ZINC000591864622 448507183 /nfs/dbraw/zinc/50/71/83/448507183.db2.gz XBJZVZOPOAOXML-CABCVRRESA-N 2 2 331.464 1.582 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@H]3CC[N@H+](C4CC4)C3)[nH+]cn2)C1 ZINC000591864622 448507187 /nfs/dbraw/zinc/50/71/87/448507187.db2.gz XBJZVZOPOAOXML-CABCVRRESA-N 2 2 331.464 1.582 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000591868851 448513753 /nfs/dbraw/zinc/51/37/53/448513753.db2.gz GSPMGEFONLSEML-GVDBMIGSSA-N 2 2 332.448 1.690 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000591868851 448513756 /nfs/dbraw/zinc/51/37/56/448513756.db2.gz GSPMGEFONLSEML-GVDBMIGSSA-N 2 2 332.448 1.690 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCCOc1cccc(F)c1 ZINC000591869154 448516399 /nfs/dbraw/zinc/51/63/99/448516399.db2.gz MPXDOLAKCZYGMA-INIZCTEOSA-N 2 2 346.406 1.854 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCCOc1cccc(F)c1 ZINC000591869154 448516404 /nfs/dbraw/zinc/51/64/04/448516404.db2.gz MPXDOLAKCZYGMA-INIZCTEOSA-N 2 2 346.406 1.854 20 0 EDADLP O=C(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Nc1ccc(F)c(F)c1F ZINC000584584940 448577487 /nfs/dbraw/zinc/57/74/87/448577487.db2.gz NOOJDCRNKPWDRY-WBMJQRKESA-N 2 2 343.349 1.399 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000566687708 448540381 /nfs/dbraw/zinc/54/03/81/448540381.db2.gz OZAJVDDPHFXUEW-INIZCTEOSA-N 3 2 328.460 1.669 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000566687708 448540382 /nfs/dbraw/zinc/54/03/82/448540382.db2.gz OZAJVDDPHFXUEW-INIZCTEOSA-N 3 2 328.460 1.669 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000517129683 448541796 /nfs/dbraw/zinc/54/17/96/448541796.db2.gz JDONABAGGUYWPJ-SFHVURJKSA-N 3 2 347.503 1.704 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000517129683 448541798 /nfs/dbraw/zinc/54/17/98/448541798.db2.gz JDONABAGGUYWPJ-SFHVURJKSA-N 3 2 347.503 1.704 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2coc(-c3cccs3)n2)CC1 ZINC000578435852 448545171 /nfs/dbraw/zinc/54/51/71/448545171.db2.gz ULUUMACADQOASU-CQSZACIVSA-N 2 2 336.461 1.101 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000584517423 448553147 /nfs/dbraw/zinc/55/31/47/448553147.db2.gz GNHLVFILPCMLHA-OAHLLOKOSA-N 2 2 328.420 1.112 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584728018 448611778 /nfs/dbraw/zinc/61/17/78/448611778.db2.gz XHQCVQNDGNBLNS-SJLPKXTDSA-N 3 2 330.476 1.142 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584728018 448611781 /nfs/dbraw/zinc/61/17/81/448611781.db2.gz XHQCVQNDGNBLNS-SJLPKXTDSA-N 3 2 330.476 1.142 20 0 EDADLP CCN1CCN(C(=O)NCC2([NH3+])CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000573429750 448623911 /nfs/dbraw/zinc/62/39/11/448623911.db2.gz UVBDGYJXOKXRTM-CQSZACIVSA-N 2 2 334.468 1.460 20 0 EDADLP COc1c(N)[nH+]cnc1N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000517390290 448580665 /nfs/dbraw/zinc/58/06/65/448580665.db2.gz GAPSUMIGNHPYQA-GFCCVEGCSA-N 2 2 328.420 1.903 20 0 EDADLP COc1c(N)nc[nH+]c1N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000517390290 448580669 /nfs/dbraw/zinc/58/06/69/448580669.db2.gz GAPSUMIGNHPYQA-GFCCVEGCSA-N 2 2 328.420 1.903 20 0 EDADLP Cc1[nH]c2ccc(CNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc2c1C ZINC000578623526 448596302 /nfs/dbraw/zinc/59/63/02/448596302.db2.gz QJHDVOKCJUYWOA-OAHLLOKOSA-N 2 2 329.448 1.569 20 0 EDADLP Cc1[nH]c2ccc(CNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc2c1C ZINC000578623526 448596306 /nfs/dbraw/zinc/59/63/06/448596306.db2.gz QJHDVOKCJUYWOA-OAHLLOKOSA-N 2 2 329.448 1.569 20 0 EDADLP Cc1[nH]nc2ncc(C[NH+]3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)cc12 ZINC000538761411 448596337 /nfs/dbraw/zinc/59/63/37/448596337.db2.gz BYUGFPOJMSZHRV-MRXNPFEDSA-N 2 2 342.447 1.005 20 0 EDADLP Cc1[nH]nc2ncc(C[NH+]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc12 ZINC000538761411 448596343 /nfs/dbraw/zinc/59/63/43/448596343.db2.gz BYUGFPOJMSZHRV-MRXNPFEDSA-N 2 2 342.447 1.005 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000584708269 448603024 /nfs/dbraw/zinc/60/30/24/448603024.db2.gz AWETXOKRSUVVRB-HNNXBMFYSA-N 2 2 331.464 1.871 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000518168525 448650112 /nfs/dbraw/zinc/65/01/12/448650112.db2.gz FUOCKFVVKNDYGH-HZPDHXFCSA-N 2 2 347.459 1.608 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000518168525 448650116 /nfs/dbraw/zinc/65/01/16/448650116.db2.gz FUOCKFVVKNDYGH-HZPDHXFCSA-N 2 2 347.459 1.608 20 0 EDADLP Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567271018 448655517 /nfs/dbraw/zinc/65/55/17/448655517.db2.gz YQWIWLDJJSJKJZ-LBPRGKRZSA-N 2 2 341.381 1.667 20 0 EDADLP Cn1c2ccc(C(F)(F)F)cc2nc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567271018 448655518 /nfs/dbraw/zinc/65/55/18/448655518.db2.gz YQWIWLDJJSJKJZ-LBPRGKRZSA-N 2 2 341.381 1.667 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)[NH+]2CCOCC2)s1 ZINC000573594206 448667017 /nfs/dbraw/zinc/66/70/17/448667017.db2.gz ZCZPNXWGSKTYMB-CPUCHLNUSA-N 2 2 335.473 1.298 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)C[C@H]2C)C1 ZINC000528771692 448668616 /nfs/dbraw/zinc/66/86/16/448668616.db2.gz XPXXOSVHAOQBKM-HUUCEWRRSA-N 2 2 347.450 1.579 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)C[C@H]2C)C1 ZINC000528771692 448668618 /nfs/dbraw/zinc/66/86/18/448668618.db2.gz XPXXOSVHAOQBKM-HUUCEWRRSA-N 2 2 347.450 1.579 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC(F)(F)C[C@H]2C)C1 ZINC000528771692 448668620 /nfs/dbraw/zinc/66/86/20/448668620.db2.gz XPXXOSVHAOQBKM-HUUCEWRRSA-N 2 2 347.450 1.579 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC(F)(F)C[C@H]2C)C1 ZINC000528771692 448668621 /nfs/dbraw/zinc/66/86/21/448668621.db2.gz XPXXOSVHAOQBKM-HUUCEWRRSA-N 2 2 347.450 1.579 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000541397175 448673640 /nfs/dbraw/zinc/67/36/40/448673640.db2.gz ZWVVRCYFROXWSJ-APWZRJJASA-N 2 2 343.471 1.537 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000541397175 448673641 /nfs/dbraw/zinc/67/36/41/448673641.db2.gz ZWVVRCYFROXWSJ-APWZRJJASA-N 2 2 343.471 1.537 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000573442218 448628217 /nfs/dbraw/zinc/62/82/17/448628217.db2.gz VVULOBZCUIQHEW-MRXNPFEDSA-N 2 2 332.452 1.378 20 0 EDADLP Cc1cc(NC(=O)NC[C@H]2COCC[NH2+]2)c[nH+]c1N1CCCC[C@H]1C ZINC000528685492 448629721 /nfs/dbraw/zinc/62/97/21/448629721.db2.gz HSBXIXDPOSGDNQ-ZBFHGGJFSA-N 2 2 347.463 1.879 20 0 EDADLP CC[NH+]1CCN(C(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000541703791 448685716 /nfs/dbraw/zinc/68/57/16/448685716.db2.gz MJSSVTQMFORPBC-UHFFFAOYSA-N 2 2 339.443 2.175 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cn2cc[nH+]c12 ZINC000567578503 448716538 /nfs/dbraw/zinc/71/65/38/448716538.db2.gz RYGPZDYLHGWDOR-HNNXBMFYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cn2cc[nH+]c12 ZINC000567578503 448716543 /nfs/dbraw/zinc/71/65/43/448716543.db2.gz RYGPZDYLHGWDOR-HNNXBMFYSA-N 2 2 331.420 1.611 20 0 EDADLP CC(C)(C[NH+]1CCCC1)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000518918776 448720836 /nfs/dbraw/zinc/72/08/36/448720836.db2.gz HMXSNGOBVUCZHJ-UHFFFAOYSA-N 2 2 345.491 1.194 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000573839776 448726794 /nfs/dbraw/zinc/72/67/94/448726794.db2.gz HABPIQXQWDRULD-OAHLLOKOSA-N 2 2 334.464 1.559 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000579211360 448739792 /nfs/dbraw/zinc/73/97/92/448739792.db2.gz GEHMXBYHSMHHSP-HUUCEWRRSA-N 2 2 338.402 1.891 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000579211360 448739795 /nfs/dbraw/zinc/73/97/95/448739795.db2.gz GEHMXBYHSMHHSP-HUUCEWRRSA-N 2 2 338.402 1.891 20 0 EDADLP CCn1c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc2ccccc21 ZINC000579473013 448801943 /nfs/dbraw/zinc/80/19/43/448801943.db2.gz AWJWEZCXJHSARV-OAHLLOKOSA-N 2 2 341.459 1.452 20 0 EDADLP CCn1c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc2ccccc21 ZINC000579473013 448801949 /nfs/dbraw/zinc/80/19/49/448801949.db2.gz AWJWEZCXJHSARV-OAHLLOKOSA-N 2 2 341.459 1.452 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000568051548 448807622 /nfs/dbraw/zinc/80/76/22/448807622.db2.gz QGSRBUJYIHYOAV-INIZCTEOSA-N 2 2 335.477 1.092 20 0 EDADLP Cc1[nH+]c2ccccn2c1CN1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000574030320 448772219 /nfs/dbraw/zinc/77/22/19/448772219.db2.gz YYOXTNHWNXFBFO-MRXNPFEDSA-N 2 2 341.459 1.429 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@@H+]1CCC[C@H](C)C1 ZINC000586751550 448796676 /nfs/dbraw/zinc/79/66/76/448796676.db2.gz CMAKZDWYVRQDBF-KBPBESRZSA-N 2 2 328.420 1.513 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@H+]1CCC[C@H](C)C1 ZINC000586751550 448796679 /nfs/dbraw/zinc/79/66/79/448796679.db2.gz CMAKZDWYVRQDBF-KBPBESRZSA-N 2 2 328.420 1.513 20 0 EDADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COCc1cccs1 ZINC000579582022 448826040 /nfs/dbraw/zinc/82/60/40/448826040.db2.gz GVTISHYDOWOGQS-HNNXBMFYSA-N 2 2 335.473 1.991 20 0 EDADLP COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000568167546 448827714 /nfs/dbraw/zinc/82/77/14/448827714.db2.gz IPROXJAHJZXSIO-SJORKVTESA-N 2 2 345.443 1.796 20 0 EDADLP COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000568167546 448827718 /nfs/dbraw/zinc/82/77/18/448827718.db2.gz IPROXJAHJZXSIO-SJORKVTESA-N 2 2 345.443 1.796 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c2[nH+]ccn21 ZINC000529329253 448827957 /nfs/dbraw/zinc/82/79/57/448827957.db2.gz GRNWSYYDUCOTHH-VNQPRFMTSA-N 2 2 347.463 1.689 20 0 EDADLP CSc1ccc(F)cc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519812562 448848802 /nfs/dbraw/zinc/84/88/02/448848802.db2.gz JSFKGZUEKOECPU-ZDUSSCGKSA-N 2 2 326.441 1.332 20 0 EDADLP CSc1ccc(F)cc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519812562 448848808 /nfs/dbraw/zinc/84/88/08/448848808.db2.gz JSFKGZUEKOECPU-ZDUSSCGKSA-N 2 2 326.441 1.332 20 0 EDADLP CCNc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000574432848 448874372 /nfs/dbraw/zinc/87/43/72/448874372.db2.gz MXWAPWJIVBWOGR-UONOGXRCSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000574432848 448874377 /nfs/dbraw/zinc/87/43/77/448874377.db2.gz MXWAPWJIVBWOGR-UONOGXRCSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[nH+]1 ZINC000574432848 448874381 /nfs/dbraw/zinc/87/43/81/448874381.db2.gz MXWAPWJIVBWOGR-UONOGXRCSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)[nH+]1 ZINC000574432848 448874386 /nfs/dbraw/zinc/87/43/86/448874386.db2.gz MXWAPWJIVBWOGR-UONOGXRCSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000574432848 448874389 /nfs/dbraw/zinc/87/43/89/448874389.db2.gz MXWAPWJIVBWOGR-UONOGXRCSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000574432848 448874393 /nfs/dbraw/zinc/87/43/93/448874393.db2.gz MXWAPWJIVBWOGR-UONOGXRCSA-N 2 2 347.511 1.856 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000519855561 448858782 /nfs/dbraw/zinc/85/87/82/448858782.db2.gz FWMLVORUKCPRSM-OAHLLOKOSA-N 2 2 339.871 1.384 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000519855561 448858789 /nfs/dbraw/zinc/85/87/89/448858789.db2.gz FWMLVORUKCPRSM-OAHLLOKOSA-N 2 2 339.871 1.384 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)C[C@@H](C)O1 ZINC000568857494 448928784 /nfs/dbraw/zinc/92/87/84/448928784.db2.gz FHYJTUVBHPCNDW-SFFUCWETSA-N 2 2 342.524 1.887 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccccc2)CC12CCOCC2 ZINC000579834975 448890657 /nfs/dbraw/zinc/89/06/57/448890657.db2.gz OABIHLDOTAMNRL-OAHLLOKOSA-N 2 2 338.473 1.148 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccccc2)CC12CCOCC2 ZINC000579834975 448890659 /nfs/dbraw/zinc/89/06/59/448890659.db2.gz OABIHLDOTAMNRL-OAHLLOKOSA-N 2 2 338.473 1.148 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000521046214 448950547 /nfs/dbraw/zinc/95/05/47/448950547.db2.gz CGPSGOYUVYAPQM-OIISXLGYSA-N 2 2 331.460 1.855 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000521046214 448950550 /nfs/dbraw/zinc/95/05/50/448950550.db2.gz CGPSGOYUVYAPQM-OIISXLGYSA-N 2 2 331.460 1.855 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)CC(F)(F)C[NH3+] ZINC000569014160 448952198 /nfs/dbraw/zinc/95/21/98/448952198.db2.gz BOLUJNZIBBLPQQ-UHFFFAOYSA-N 2 2 340.418 1.251 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000589020042 448959955 /nfs/dbraw/zinc/95/99/55/448959955.db2.gz SFPROMAGXOOZGX-NCOADZHNSA-N 2 2 349.479 1.555 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000589020042 448959958 /nfs/dbraw/zinc/95/99/58/448959958.db2.gz SFPROMAGXOOZGX-NCOADZHNSA-N 2 2 349.479 1.555 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010606 448965933 /nfs/dbraw/zinc/96/59/33/448965933.db2.gz WECRVWYJZWLRPJ-AWEZNQCLSA-N 2 2 347.463 1.635 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010606 448965936 /nfs/dbraw/zinc/96/59/36/448965936.db2.gz WECRVWYJZWLRPJ-AWEZNQCLSA-N 2 2 347.463 1.635 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC000529836638 448978742 /nfs/dbraw/zinc/97/87/42/448978742.db2.gz QWZMVQFSKPBSDU-DOTOQJQBSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC000529836638 448978743 /nfs/dbraw/zinc/97/87/43/448978743.db2.gz QWZMVQFSKPBSDU-DOTOQJQBSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000529836638 448978744 /nfs/dbraw/zinc/97/87/44/448978744.db2.gz QWZMVQFSKPBSDU-DOTOQJQBSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC000529836638 448978746 /nfs/dbraw/zinc/97/87/46/448978746.db2.gz QWZMVQFSKPBSDU-DOTOQJQBSA-N 2 2 331.460 1.728 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)CNCCC[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000582176208 449029495 /nfs/dbraw/zinc/02/94/95/449029495.db2.gz HWXUYGYNVBBXDD-WSTZPKSXSA-N 2 2 349.519 1.568 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)CNCCC[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000582176208 449029500 /nfs/dbraw/zinc/02/95/00/449029500.db2.gz HWXUYGYNVBBXDD-WSTZPKSXSA-N 2 2 349.519 1.568 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CNCCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000582176208 449029505 /nfs/dbraw/zinc/02/95/05/449029505.db2.gz HWXUYGYNVBBXDD-WSTZPKSXSA-N 2 2 349.519 1.568 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CNCCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000582176208 449029508 /nfs/dbraw/zinc/02/95/08/449029508.db2.gz HWXUYGYNVBBXDD-WSTZPKSXSA-N 2 2 349.519 1.568 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000521974562 449032900 /nfs/dbraw/zinc/03/29/00/449032900.db2.gz HZIARWHNVIDSET-YYIAUSFCSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000521974562 449032903 /nfs/dbraw/zinc/03/29/03/449032903.db2.gz HZIARWHNVIDSET-YYIAUSFCSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CCO1 ZINC000522268602 449071959 /nfs/dbraw/zinc/07/19/59/449071959.db2.gz JMUHMQLXQVEOAJ-SJLPKXTDSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CCO1 ZINC000522268602 449071963 /nfs/dbraw/zinc/07/19/63/449071963.db2.gz JMUHMQLXQVEOAJ-SJLPKXTDSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCO1 ZINC000522268602 449071966 /nfs/dbraw/zinc/07/19/66/449071966.db2.gz JMUHMQLXQVEOAJ-SJLPKXTDSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CCO1 ZINC000522268602 449071970 /nfs/dbraw/zinc/07/19/70/449071970.db2.gz JMUHMQLXQVEOAJ-SJLPKXTDSA-N 2 2 346.475 1.131 20 0 EDADLP COC(=O)c1cc(Cl)ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000575350316 449083010 /nfs/dbraw/zinc/08/30/10/449083010.db2.gz UUCMWGTUQNOTSA-NSHDSACASA-N 2 2 340.811 1.233 20 0 EDADLP COC(=O)c1cc(Cl)ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000575350316 449083011 /nfs/dbraw/zinc/08/30/11/449083011.db2.gz UUCMWGTUQNOTSA-NSHDSACASA-N 2 2 340.811 1.233 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)c1cnn3c1[C@H](C[NH3+])CCC3)C2 ZINC000592959419 449083582 /nfs/dbraw/zinc/08/35/82/449083582.db2.gz STUXLTNDCIMQTH-ZDUSSCGKSA-N 2 2 328.420 1.189 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582250666 449048332 /nfs/dbraw/zinc/04/83/32/449048332.db2.gz YSMKZKAAPPMTLE-ZHALLVOQSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582250666 449048336 /nfs/dbraw/zinc/04/83/36/449048336.db2.gz YSMKZKAAPPMTLE-ZHALLVOQSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582250666 449048341 /nfs/dbraw/zinc/04/83/41/449048341.db2.gz YSMKZKAAPPMTLE-ZHALLVOQSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582250666 449048347 /nfs/dbraw/zinc/04/83/47/449048347.db2.gz YSMKZKAAPPMTLE-ZHALLVOQSA-N 2 2 345.487 1.734 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(OC)cccc3OC)C2)CC1 ZINC000589820300 449064298 /nfs/dbraw/zinc/06/42/98/449064298.db2.gz LNXAWSGITSNACW-MRXNPFEDSA-N 2 2 333.476 1.916 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(OC)cccc3OC)C2)CC1 ZINC000589820300 449064300 /nfs/dbraw/zinc/06/43/00/449064300.db2.gz LNXAWSGITSNACW-MRXNPFEDSA-N 2 2 333.476 1.916 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000595621413 449085463 /nfs/dbraw/zinc/08/54/63/449085463.db2.gz OFDAVVVDAXUASW-NTZNESFSSA-N 2 2 338.370 1.115 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000595621413 449085467 /nfs/dbraw/zinc/08/54/67/449085467.db2.gz OFDAVVVDAXUASW-NTZNESFSSA-N 2 2 338.370 1.115 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000595621413 449085472 /nfs/dbraw/zinc/08/54/72/449085472.db2.gz OFDAVVVDAXUASW-NTZNESFSSA-N 2 2 338.370 1.115 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000595621413 449085476 /nfs/dbraw/zinc/08/54/76/449085476.db2.gz OFDAVVVDAXUASW-NTZNESFSSA-N 2 2 338.370 1.115 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597994618 449179582 /nfs/dbraw/zinc/17/95/82/449179582.db2.gz CHXPZKPZRIJQQD-GJZGRUSLSA-N 2 2 331.526 1.287 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597994618 449179588 /nfs/dbraw/zinc/17/95/88/449179588.db2.gz CHXPZKPZRIJQQD-GJZGRUSLSA-N 2 2 331.526 1.287 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604182371 449187004 /nfs/dbraw/zinc/18/70/04/449187004.db2.gz DDJFPXCLMJAWCO-JKSUJKDBSA-N 3 2 339.528 1.184 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604182371 449187007 /nfs/dbraw/zinc/18/70/07/449187007.db2.gz DDJFPXCLMJAWCO-JKSUJKDBSA-N 3 2 339.528 1.184 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000606581790 449489112 /nfs/dbraw/zinc/48/91/12/449489112.db2.gz QETXXQYJTVRHGT-UHFFFAOYSA-N 2 2 343.431 1.910 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc(C)[nH+]1 ZINC000611988246 449508469 /nfs/dbraw/zinc/50/84/69/449508469.db2.gz OFHIOHYGYVPGFY-HNNXBMFYSA-N 2 2 332.448 1.304 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc(C)[nH+]1 ZINC000611988246 449508475 /nfs/dbraw/zinc/50/84/75/449508475.db2.gz OFHIOHYGYVPGFY-HNNXBMFYSA-N 2 2 332.448 1.304 20 0 EDADLP C[NH+](C)C1(C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)CC1 ZINC000614386272 449587133 /nfs/dbraw/zinc/58/71/33/449587133.db2.gz CAPBASSBNWKLPE-UHFFFAOYSA-N 2 2 325.840 1.797 20 0 EDADLP C[NH+](C)C1(C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)CC1 ZINC000614386272 449587137 /nfs/dbraw/zinc/58/71/37/449587137.db2.gz CAPBASSBNWKLPE-UHFFFAOYSA-N 2 2 325.840 1.797 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(C)o1 ZINC000594613552 449593607 /nfs/dbraw/zinc/59/36/07/449593607.db2.gz KFDDPLYDUHJSPH-ZDUSSCGKSA-N 2 2 337.420 1.052 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)o1 ZINC000594613552 449593616 /nfs/dbraw/zinc/59/36/16/449593616.db2.gz KFDDPLYDUHJSPH-ZDUSSCGKSA-N 2 2 337.420 1.052 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000600965274 449618031 /nfs/dbraw/zinc/61/80/31/449618031.db2.gz IXWMSQCFTLCEPW-NVXWUHKLSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000600965274 449618041 /nfs/dbraw/zinc/61/80/41/449618041.db2.gz IXWMSQCFTLCEPW-NVXWUHKLSA-N 2 2 348.466 1.547 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)[NH+]1CCOCC1 ZINC000607899550 449661415 /nfs/dbraw/zinc/66/14/15/449661415.db2.gz VSEHGSQTXPVJSG-SFHVURJKSA-N 2 2 347.459 1.808 20 0 EDADLP COc1ccc(COCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000607751681 449643838 /nfs/dbraw/zinc/64/38/38/449643838.db2.gz BPSPHMQOENYHQI-GOSISDBHSA-N 2 2 334.460 1.866 20 0 EDADLP COc1ccc(COCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000607751681 449643844 /nfs/dbraw/zinc/64/38/44/449643844.db2.gz BPSPHMQOENYHQI-GOSISDBHSA-N 2 2 334.460 1.866 20 0 EDADLP CCOC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)[nH]1 ZINC000602643729 449724618 /nfs/dbraw/zinc/72/46/18/449724618.db2.gz IQFLZCLVIZDDDI-UHFFFAOYSA-N 2 2 344.415 1.917 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335828 449845063 /nfs/dbraw/zinc/84/50/63/449845063.db2.gz YGSVCTXWIIYJGY-CJNGLKHVSA-N 2 2 346.431 1.417 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335828 449845068 /nfs/dbraw/zinc/84/50/68/449845068.db2.gz YGSVCTXWIIYJGY-CJNGLKHVSA-N 2 2 346.431 1.417 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000617764136 449824358 /nfs/dbraw/zinc/82/43/58/449824358.db2.gz KOFMDLBHXWRQKJ-IBGZPJMESA-N 3 2 346.519 1.508 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000617764136 449824365 /nfs/dbraw/zinc/82/43/65/449824365.db2.gz KOFMDLBHXWRQKJ-IBGZPJMESA-N 3 2 346.519 1.508 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000617764136 449824370 /nfs/dbraw/zinc/82/43/70/449824370.db2.gz KOFMDLBHXWRQKJ-IBGZPJMESA-N 3 2 346.519 1.508 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000617764136 449824374 /nfs/dbraw/zinc/82/43/74/449824374.db2.gz KOFMDLBHXWRQKJ-IBGZPJMESA-N 3 2 346.519 1.508 20 0 EDADLP Cc1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000614853903 449846714 /nfs/dbraw/zinc/84/67/14/449846714.db2.gz IXOQJBSZRPUDOG-OAHLLOKOSA-N 2 2 329.400 1.835 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3ccc(F)cc3Cl)CCN2C1=O ZINC000594875157 449790653 /nfs/dbraw/zinc/79/06/53/449790653.db2.gz ZDYACGGTHOVVGR-AAEUAGOBSA-N 2 2 327.787 1.102 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)CCN2C1=O ZINC000594875157 449790658 /nfs/dbraw/zinc/79/06/58/449790658.db2.gz ZDYACGGTHOVVGR-AAEUAGOBSA-N 2 2 327.787 1.102 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)[C@@H](C)CO1 ZINC000617733559 449794806 /nfs/dbraw/zinc/79/48/06/449794806.db2.gz SYHLKPXIPZDTAH-JZXOWHBKSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)[C@@H](C)CO1 ZINC000617733559 449794811 /nfs/dbraw/zinc/79/48/11/449794811.db2.gz SYHLKPXIPZDTAH-JZXOWHBKSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)[C@@H](C)CO1 ZINC000617733559 449794814 /nfs/dbraw/zinc/79/48/14/449794814.db2.gz SYHLKPXIPZDTAH-JZXOWHBKSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)[C@@H](C)CO1 ZINC000617733559 449794818 /nfs/dbraw/zinc/79/48/18/449794818.db2.gz SYHLKPXIPZDTAH-JZXOWHBKSA-N 2 2 346.475 1.271 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CCC1 ZINC000608500883 449861199 /nfs/dbraw/zinc/86/11/99/449861199.db2.gz XAKBDLFTJOFTSB-GOSISDBHSA-N 2 2 331.460 1.488 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CCC1 ZINC000608500883 449861203 /nfs/dbraw/zinc/86/12/03/449861203.db2.gz XAKBDLFTJOFTSB-GOSISDBHSA-N 2 2 331.460 1.488 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCC1 ZINC000608500883 449861209 /nfs/dbraw/zinc/86/12/09/449861209.db2.gz XAKBDLFTJOFTSB-GOSISDBHSA-N 2 2 331.460 1.488 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCC1 ZINC000608500883 449861212 /nfs/dbraw/zinc/86/12/12/449861212.db2.gz XAKBDLFTJOFTSB-GOSISDBHSA-N 2 2 331.460 1.488 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000597187488 449863243 /nfs/dbraw/zinc/86/32/43/449863243.db2.gz QHVLOCUZDNIKMF-LEUOFYLZSA-N 2 2 332.444 1.960 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000597187488 449863247 /nfs/dbraw/zinc/86/32/47/449863247.db2.gz QHVLOCUZDNIKMF-LEUOFYLZSA-N 2 2 332.444 1.960 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)[C@H](C[NH3+])C1 ZINC000612939887 449948005 /nfs/dbraw/zinc/94/80/05/449948005.db2.gz DMPNNKTVZFWBLC-APWZRJJASA-N 2 2 330.476 1.639 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000608701923 449914455 /nfs/dbraw/zinc/91/44/55/449914455.db2.gz KPZQVTIKQLLBJH-QGZVFWFLSA-N 2 2 349.479 1.478 20 0 EDADLP CCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H]1CC[N@H+](CC)C1 ZINC000617927320 449924253 /nfs/dbraw/zinc/92/42/53/449924253.db2.gz VYFJPQOGUVOULC-ZDUSSCGKSA-N 2 2 344.463 1.591 20 0 EDADLP CCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H]1CC[N@@H+](CC)C1 ZINC000617927320 449924256 /nfs/dbraw/zinc/92/42/56/449924256.db2.gz VYFJPQOGUVOULC-ZDUSSCGKSA-N 2 2 344.463 1.591 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615108910 449961382 /nfs/dbraw/zinc/96/13/82/449961382.db2.gz QHBGUTPWJSKFDI-GDBMZVCRSA-N 2 2 340.427 1.720 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615108910 449961387 /nfs/dbraw/zinc/96/13/87/449961387.db2.gz QHBGUTPWJSKFDI-GDBMZVCRSA-N 2 2 340.427 1.720 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615108910 449961393 /nfs/dbraw/zinc/96/13/93/449961393.db2.gz QHBGUTPWJSKFDI-GDBMZVCRSA-N 2 2 340.427 1.720 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615108910 449961399 /nfs/dbraw/zinc/96/13/99/449961399.db2.gz QHBGUTPWJSKFDI-GDBMZVCRSA-N 2 2 340.427 1.720 20 0 EDADLP CN(C(=O)c1cn2ccccc2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476954 450000622 /nfs/dbraw/zinc/00/06/22/450000622.db2.gz LWNNSHZLZFJNLH-INIZCTEOSA-N 2 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1cn2ccccc2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476954 450000628 /nfs/dbraw/zinc/00/06/28/450000628.db2.gz LWNNSHZLZFJNLH-INIZCTEOSA-N 2 2 341.459 1.575 20 0 EDADLP CCn1nc(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000601479769 450002601 /nfs/dbraw/zinc/00/26/01/450002601.db2.gz SVVUJDXLJVEUEH-KRWDZBQOSA-N 2 2 347.507 1.760 20 0 EDADLP CCn1nc(C)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000601479769 450002605 /nfs/dbraw/zinc/00/26/05/450002605.db2.gz SVVUJDXLJVEUEH-KRWDZBQOSA-N 2 2 347.507 1.760 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C(=O)OC)C(C)C ZINC000603062563 450044442 /nfs/dbraw/zinc/04/44/42/450044442.db2.gz KMZYSOAUVVVMTR-CABCVRRESA-N 2 2 327.469 1.154 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C(=O)OC)C(C)C ZINC000603062563 450044447 /nfs/dbraw/zinc/04/44/47/450044447.db2.gz KMZYSOAUVVVMTR-CABCVRRESA-N 2 2 327.469 1.154 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000595465850 450161129 /nfs/dbraw/zinc/16/11/29/450161129.db2.gz IHZCMZGIPQBSAV-CVEARBPZSA-N 2 2 347.415 1.089 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000595465850 450161135 /nfs/dbraw/zinc/16/11/35/450161135.db2.gz IHZCMZGIPQBSAV-CVEARBPZSA-N 2 2 347.415 1.089 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552013 450225616 /nfs/dbraw/zinc/22/56/16/450225616.db2.gz NMFBSFCTAZDUCQ-LBPRGKRZSA-N 2 2 343.431 1.662 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c[nH+]1 ZINC000601790068 450241939 /nfs/dbraw/zinc/24/19/39/450241939.db2.gz MTPNVGNYKCMPHJ-JKSUJKDBSA-N 2 2 331.464 1.916 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c[nH+]1 ZINC000601790068 450241941 /nfs/dbraw/zinc/24/19/41/450241941.db2.gz MTPNVGNYKCMPHJ-JKSUJKDBSA-N 2 2 331.464 1.916 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000619944837 450381798 /nfs/dbraw/zinc/38/17/98/450381798.db2.gz ORVDMDDFZKVQBN-AWEZNQCLSA-N 2 2 331.395 1.905 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000619944837 450381804 /nfs/dbraw/zinc/38/18/04/450381804.db2.gz ORVDMDDFZKVQBN-AWEZNQCLSA-N 2 2 331.395 1.905 20 0 EDADLP Nc1ncc2c(n1)C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000623292151 450481260 /nfs/dbraw/zinc/48/12/60/450481260.db2.gz BVGATDOBNAZJCQ-UHFFFAOYSA-N 2 2 339.443 1.449 20 0 EDADLP Nc1ncc2c(n1)C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000623292151 450481261 /nfs/dbraw/zinc/48/12/61/450481261.db2.gz BVGATDOBNAZJCQ-UHFFFAOYSA-N 2 2 339.443 1.449 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)ccn12 ZINC000620473819 450495890 /nfs/dbraw/zinc/49/58/90/450495890.db2.gz ADCHCHQLECLZGR-MRXNPFEDSA-N 2 2 328.416 1.314 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)ccn12 ZINC000620473819 450495892 /nfs/dbraw/zinc/49/58/92/450495892.db2.gz ADCHCHQLECLZGR-MRXNPFEDSA-N 2 2 328.416 1.314 20 0 EDADLP C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1[nH+]ccn1C ZINC000620594466 450517969 /nfs/dbraw/zinc/51/79/69/450517969.db2.gz BDMZBQGVIYWRKX-INIZCTEOSA-N 2 2 341.459 1.415 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623466796 450526043 /nfs/dbraw/zinc/52/60/43/450526043.db2.gz MYJUUXSVJVKTOZ-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623466796 450526045 /nfs/dbraw/zinc/52/60/45/450526045.db2.gz MYJUUXSVJVKTOZ-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623466796 450526047 /nfs/dbraw/zinc/52/60/47/450526047.db2.gz MYJUUXSVJVKTOZ-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623466796 450526049 /nfs/dbraw/zinc/52/60/49/450526049.db2.gz MYJUUXSVJVKTOZ-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000623476847 450527820 /nfs/dbraw/zinc/52/78/20/450527820.db2.gz RHEQHSIEOQOOKL-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000623476847 450527822 /nfs/dbraw/zinc/52/78/22/450527822.db2.gz RHEQHSIEOQOOKL-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623476847 450527825 /nfs/dbraw/zinc/52/78/25/450527825.db2.gz RHEQHSIEOQOOKL-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623476847 450527826 /nfs/dbraw/zinc/52/78/26/450527826.db2.gz RHEQHSIEOQOOKL-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000623550919 450541915 /nfs/dbraw/zinc/54/19/15/450541915.db2.gz DARWBVXAYZVRJM-HZPDHXFCSA-N 2 2 334.464 1.227 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000623550919 450541917 /nfs/dbraw/zinc/54/19/17/450541917.db2.gz DARWBVXAYZVRJM-HZPDHXFCSA-N 2 2 334.464 1.227 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Br)cc1 ZINC000623617593 450551952 /nfs/dbraw/zinc/55/19/52/450551952.db2.gz CSUYQVAJSMIXJM-AWEZNQCLSA-N 2 2 340.265 1.879 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cc1 ZINC000623617593 450551953 /nfs/dbraw/zinc/55/19/53/450551953.db2.gz CSUYQVAJSMIXJM-AWEZNQCLSA-N 2 2 340.265 1.879 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000623618217 450552313 /nfs/dbraw/zinc/55/23/13/450552313.db2.gz HZUOHIJQYSWYOL-HNNXBMFYSA-N 2 2 345.472 1.635 20 0 EDADLP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000620907275 450559375 /nfs/dbraw/zinc/55/93/75/450559375.db2.gz KUFXBLFURBCJEV-RDJZCZTQSA-N 2 2 346.475 1.547 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCO[C@H](CCC[NH+](C)C)C3)ccn12 ZINC000620980281 450569150 /nfs/dbraw/zinc/56/91/50/450569150.db2.gz RNPWRMZCDQAQRZ-MRXNPFEDSA-N 2 2 330.432 1.826 20 0 EDADLP CN(c1ccccc1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000623758463 450578462 /nfs/dbraw/zinc/57/84/62/450578462.db2.gz BQTBTCUQWFFOJT-LJQANCHMSA-N 3 2 346.519 1.373 20 0 EDADLP CN(c1ccccc1C[NH2+]CC[N@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000623758463 450578465 /nfs/dbraw/zinc/57/84/65/450578465.db2.gz BQTBTCUQWFFOJT-LJQANCHMSA-N 3 2 346.519 1.373 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000623758929 450578940 /nfs/dbraw/zinc/57/89/40/450578940.db2.gz SMHFRCFFVBLKHR-LJQANCHMSA-N 3 2 346.519 1.375 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000623758929 450578942 /nfs/dbraw/zinc/57/89/42/450578942.db2.gz SMHFRCFFVBLKHR-LJQANCHMSA-N 3 2 346.519 1.375 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(c3nc(N)[nH+]c(N)n3)CC2)cc1 ZINC000623803740 450594513 /nfs/dbraw/zinc/59/45/13/450594513.db2.gz PCCJYHYACQKXNL-UHFFFAOYSA-N 2 2 327.436 1.142 20 0 EDADLP CC(C)[C@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000621153337 450601701 /nfs/dbraw/zinc/60/17/01/450601701.db2.gz QAEJWKXQEDTHJP-GOSISDBHSA-N 2 2 331.460 1.589 20 0 EDADLP CC(C)[C@H]1CN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC[NH2+]1 ZINC000621158484 450605271 /nfs/dbraw/zinc/60/52/71/450605271.db2.gz QFAKRGCGFPLZAF-VXGBXAGGSA-N 2 2 332.370 1.913 20 0 EDADLP O[C@H]1CCN(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623837945 450610854 /nfs/dbraw/zinc/61/08/54/450610854.db2.gz APXWSQSNXMDLMI-IBGZPJMESA-N 2 2 335.467 1.489 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCC[NH+]1CCOCC1 ZINC000635067345 450619765 /nfs/dbraw/zinc/61/97/65/450619765.db2.gz QJAPLAVXJCBHKW-GFCCVEGCSA-N 2 2 334.342 1.215 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000633092119 450676311 /nfs/dbraw/zinc/67/63/11/450676311.db2.gz MVLNOQMDWAAUEC-INIZCTEOSA-N 2 2 339.528 1.138 20 0 EDADLP CC[NH+](CC)CCC[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621382471 450709540 /nfs/dbraw/zinc/70/95/40/450709540.db2.gz WJLPADCMSTUGKV-UHFFFAOYSA-N 2 2 336.455 1.779 20 0 EDADLP COc1ccncc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000629539385 450727590 /nfs/dbraw/zinc/72/75/90/450727590.db2.gz XEDGQFLAWSSJRV-UHFFFAOYSA-N 2 2 328.420 1.165 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000629652716 450771932 /nfs/dbraw/zinc/77/19/32/450771932.db2.gz DBCLKAPKIVQVRS-UHFFFAOYSA-N 2 2 341.818 1.728 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000629652716 450771936 /nfs/dbraw/zinc/77/19/36/450771936.db2.gz DBCLKAPKIVQVRS-UHFFFAOYSA-N 2 2 341.818 1.728 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1C(F)(F)F ZINC000629560010 450736104 /nfs/dbraw/zinc/73/61/04/450736104.db2.gz CVVKMYKPXCJYGF-CHWSQXEVSA-N 2 2 333.398 1.750 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1C(F)(F)F ZINC000629560010 450736109 /nfs/dbraw/zinc/73/61/09/450736109.db2.gz CVVKMYKPXCJYGF-CHWSQXEVSA-N 2 2 333.398 1.750 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC(C[NH+]3CCOCC3)CC1)CC2 ZINC000624194538 450743446 /nfs/dbraw/zinc/74/34/46/450743446.db2.gz KJDCOTWSALTQDT-QGZVFWFLSA-N 2 2 346.475 1.325 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CN1c1c(F)cccc1F ZINC000629577195 450745356 /nfs/dbraw/zinc/74/53/56/450745356.db2.gz WPVXJNVFYVYSIH-QWHCGFSZSA-N 2 2 339.386 1.116 20 0 EDADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629655598 450772691 /nfs/dbraw/zinc/77/26/91/450772691.db2.gz WFIQLKATXQRVBG-UHFFFAOYSA-N 2 2 346.880 1.731 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631835412 450805644 /nfs/dbraw/zinc/80/56/44/450805644.db2.gz UDHWWHCEQLJUCY-HNNXBMFYSA-N 2 2 325.478 1.640 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631835412 450805646 /nfs/dbraw/zinc/80/56/46/450805646.db2.gz UDHWWHCEQLJUCY-HNNXBMFYSA-N 2 2 325.478 1.640 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC[C@H]1Cc2ccccc2O1 ZINC000631885721 450847439 /nfs/dbraw/zinc/84/74/39/450847439.db2.gz BJXHZYSLJSTJQY-ZACQAIPSSA-N 2 2 329.444 1.180 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC[C@H]1Cc2ccccc2O1 ZINC000631885721 450847442 /nfs/dbraw/zinc/84/74/42/450847442.db2.gz BJXHZYSLJSTJQY-ZACQAIPSSA-N 2 2 329.444 1.180 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631886712 450847447 /nfs/dbraw/zinc/84/74/47/450847447.db2.gz LJFXGQRTGJDLNE-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631886712 450847449 /nfs/dbraw/zinc/84/74/49/450847449.db2.gz LJFXGQRTGJDLNE-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCc1c(F)cccc1F ZINC000631886094 450847700 /nfs/dbraw/zinc/84/77/00/450847700.db2.gz FRBGRCVDAFARQM-GUYCJALGSA-N 2 2 337.414 1.697 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCc1c(F)cccc1F ZINC000631886094 450847704 /nfs/dbraw/zinc/84/77/04/450847704.db2.gz FRBGRCVDAFARQM-GUYCJALGSA-N 2 2 337.414 1.697 20 0 EDADLP CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CC[NH+](C)CC1 ZINC000627618381 450848508 /nfs/dbraw/zinc/84/85/08/450848508.db2.gz QPSORLXNIXTNDX-UHFFFAOYSA-N 2 2 347.507 1.575 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C3(C[NH+](C)C)CC3)c[nH+]2)CCO1 ZINC000635325871 450851532 /nfs/dbraw/zinc/85/15/32/450851532.db2.gz UDNFUGDZNYFWIW-AWEZNQCLSA-N 2 2 332.448 1.265 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC[N@@H+]1C ZINC000631973303 450931647 /nfs/dbraw/zinc/93/16/47/450931647.db2.gz MVJIENNUGGPIRT-GOEBONIOSA-N 2 2 332.448 1.895 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC[N@H+]1C ZINC000631973303 450931650 /nfs/dbraw/zinc/93/16/50/450931650.db2.gz MVJIENNUGGPIRT-GOEBONIOSA-N 2 2 332.448 1.895 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000631987691 450945443 /nfs/dbraw/zinc/94/54/43/450945443.db2.gz LZERNIUYSUFLMP-KRWDZBQOSA-N 2 2 342.443 1.330 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000624736262 450973785 /nfs/dbraw/zinc/97/37/85/450973785.db2.gz GAPZCTBNPUHHAZ-KRWDZBQOSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000624736262 450973787 /nfs/dbraw/zinc/97/37/87/450973787.db2.gz GAPZCTBNPUHHAZ-KRWDZBQOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000626931976 451014195 /nfs/dbraw/zinc/01/41/95/451014195.db2.gz PDBGFSOZPHZBDW-HGTKMLMNSA-N 2 2 347.463 1.245 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCOCC1 ZINC000626950378 451029626 /nfs/dbraw/zinc/02/96/26/451029626.db2.gz ZIYQFSPLSHPTCT-UHFFFAOYSA-N 2 2 347.394 1.319 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000635556133 451054467 /nfs/dbraw/zinc/05/44/67/451054467.db2.gz NIEVSRQZKPBWNY-OAHLLOKOSA-N 2 2 329.448 1.399 20 0 EDADLP CNc1ccc(Cl)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000622143716 451064563 /nfs/dbraw/zinc/06/45/63/451064563.db2.gz GLLHPTILLQTTHX-UHFFFAOYSA-N 2 2 326.872 1.995 20 0 EDADLP CNc1ccc(Cl)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000622143716 451064568 /nfs/dbraw/zinc/06/45/68/451064568.db2.gz GLLHPTILLQTTHX-UHFFFAOYSA-N 2 2 326.872 1.995 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632147796 451072169 /nfs/dbraw/zinc/07/21/69/451072169.db2.gz BJUQAOFLUIOLQI-QGZVFWFLSA-N 2 2 337.489 1.578 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632147796 451072173 /nfs/dbraw/zinc/07/21/73/451072173.db2.gz BJUQAOFLUIOLQI-QGZVFWFLSA-N 2 2 337.489 1.578 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc(CC)[nH+]2)[C@H](C)C1 ZINC000635573681 451074027 /nfs/dbraw/zinc/07/40/27/451074027.db2.gz YKMGQBHSXODPRQ-ZBFHGGJFSA-N 2 2 336.480 1.768 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc(CC)[nH+]2)[C@H](C)C1 ZINC000635573681 451074029 /nfs/dbraw/zinc/07/40/29/451074029.db2.gz YKMGQBHSXODPRQ-ZBFHGGJFSA-N 2 2 336.480 1.768 20 0 EDADLP COc1cccc([C@@H](C[NH2+]C2CCN(C(N)=O)CC2)[NH+]2CCCC2)c1 ZINC000154833183 533717628 /nfs/dbraw/zinc/71/76/28/533717628.db2.gz IXQPWWLMIGDWMT-GOSISDBHSA-N 2 2 346.475 1.965 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[NH2+]C[C@@H]3C(C)C)cn21 ZINC000627107953 451127392 /nfs/dbraw/zinc/12/73/92/451127392.db2.gz CMIQZFUQCCOMDM-MRXNPFEDSA-N 2 2 329.448 1.825 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000628122806 451144956 /nfs/dbraw/zinc/14/49/56/451144956.db2.gz NYHHWDQTJQLWBX-UHFFFAOYSA-N 2 2 332.448 1.080 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628162738 451163881 /nfs/dbraw/zinc/16/38/81/451163881.db2.gz BYSNHTKYWPIYKU-UHFFFAOYSA-N 2 2 327.432 1.303 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627236188 451202809 /nfs/dbraw/zinc/20/28/09/451202809.db2.gz MTUYRNZPMNFXBC-DOTOQJQBSA-N 2 2 346.475 1.581 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000627242368 451205002 /nfs/dbraw/zinc/20/50/02/451205002.db2.gz VQTFLXPCZBTQSX-XJKSGUPXSA-N 2 2 336.867 1.918 20 0 EDADLP Cc1[nH]c(=O)ccc1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195424 451232240 /nfs/dbraw/zinc/23/22/40/451232240.db2.gz AGLGVWINMVOSTC-UHFFFAOYSA-N 2 2 327.388 1.495 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COc3cccnc3)c2)CC1 ZINC000634195624 451232611 /nfs/dbraw/zinc/23/26/11/451232611.db2.gz ZAMUBEAIHIAPFC-UHFFFAOYSA-N 2 2 327.388 1.246 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000634261271 451255743 /nfs/dbraw/zinc/25/57/43/451255743.db2.gz ZWYGBXMMWHRAPN-RDJZCZTQSA-N 2 2 331.464 1.612 20 0 EDADLP C[C@@H](NC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091645 451257418 /nfs/dbraw/zinc/25/74/18/451257418.db2.gz PGABUHWJUNSVPG-QAPCUYQASA-N 2 2 332.492 1.292 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000628476210 451263327 /nfs/dbraw/zinc/26/33/27/451263327.db2.gz MFQHBEASRKLIGC-INIZCTEOSA-N 2 2 333.480 1.502 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000635820227 451268717 /nfs/dbraw/zinc/26/87/17/451268717.db2.gz MPZLTTQJKYWNEX-MNOVXSKESA-N 2 2 327.310 1.704 20 0 EDADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636553011 451293487 /nfs/dbraw/zinc/29/34/87/451293487.db2.gz KWPKCQUUBWBCJT-INIZCTEOSA-N 2 2 325.416 1.165 20 0 EDADLP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636553011 451293491 /nfs/dbraw/zinc/29/34/91/451293491.db2.gz KWPKCQUUBWBCJT-INIZCTEOSA-N 2 2 325.416 1.165 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000638136803 451310770 /nfs/dbraw/zinc/31/07/70/451310770.db2.gz MQFSHBQNODSIMM-UHFFFAOYSA-N 2 2 343.431 1.124 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)n1cc[nH+]c1 ZINC000638223702 451366006 /nfs/dbraw/zinc/36/60/06/451366006.db2.gz YTFXJZKOIZOTAT-CABCVRRESA-N 2 2 330.436 1.377 20 0 EDADLP COCC1(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC[NH2+]CC1 ZINC000638225541 451367171 /nfs/dbraw/zinc/36/71/71/451367171.db2.gz ZXNULKYTVWSCBO-LBPRGKRZSA-N 2 2 348.369 1.509 20 0 EDADLP CC1(C)[C@H](NC(=O)c2ccc3[nH+]ccn3c2)C[C@H]1[NH+]1CCOCC1 ZINC000640519394 451371145 /nfs/dbraw/zinc/37/11/45/451371145.db2.gz LZVQXQQYECAQHX-HUUCEWRRSA-N 2 2 328.416 1.563 20 0 EDADLP c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000638183170 451342889 /nfs/dbraw/zinc/34/28/89/451342889.db2.gz UQVFLLCINVILMD-TXPKVOOTSA-N 2 2 345.491 1.763 20 0 EDADLP c1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000638183170 451342896 /nfs/dbraw/zinc/34/28/96/451342896.db2.gz UQVFLLCINVILMD-TXPKVOOTSA-N 2 2 345.491 1.763 20 0 EDADLP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000638183170 451342897 /nfs/dbraw/zinc/34/28/97/451342897.db2.gz UQVFLLCINVILMD-TXPKVOOTSA-N 2 2 345.491 1.763 20 0 EDADLP c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000638183170 451342900 /nfs/dbraw/zinc/34/29/00/451342900.db2.gz UQVFLLCINVILMD-TXPKVOOTSA-N 2 2 345.491 1.763 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000638273746 451394063 /nfs/dbraw/zinc/39/40/63/451394063.db2.gz JWUUANLBWSYNKA-FUHWJXTLSA-N 2 2 335.423 1.237 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638280893 451399816 /nfs/dbraw/zinc/39/98/16/451399816.db2.gz FVTUGIRHCWQGRW-DAYGRLMNSA-N 2 2 349.475 1.133 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638280893 451399822 /nfs/dbraw/zinc/39/98/22/451399822.db2.gz FVTUGIRHCWQGRW-DAYGRLMNSA-N 2 2 349.475 1.133 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1 ZINC000635964592 451402141 /nfs/dbraw/zinc/40/21/41/451402141.db2.gz XYPLDFSJSRPUCQ-FHLIZLRMSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1 ZINC000635964592 451402145 /nfs/dbraw/zinc/40/21/45/451402145.db2.gz XYPLDFSJSRPUCQ-FHLIZLRMSA-N 2 2 331.460 1.821 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000640564023 451410146 /nfs/dbraw/zinc/41/01/46/451410146.db2.gz BQUJVUCJWJAOGH-MRXNPFEDSA-N 2 2 347.463 1.472 20 0 EDADLP CC(C)[C@H](CNC(=O)Nc1cc[nH+]c(N(C)C)c1)[NH+]1CCN(C)CC1 ZINC000640610636 451459126 /nfs/dbraw/zinc/45/91/26/451459126.db2.gz ZGKLDGKUGPEXCK-INIZCTEOSA-N 2 2 348.495 1.541 20 0 EDADLP CC(C)[C@H](CNC(=O)Nc1cc[nH+]c(N(C)C)c1)N1CC[NH+](C)CC1 ZINC000640610636 451459133 /nfs/dbraw/zinc/45/91/33/451459133.db2.gz ZGKLDGKUGPEXCK-INIZCTEOSA-N 2 2 348.495 1.541 20 0 EDADLP O=C1[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]2CCCCN12 ZINC000634716485 451496865 /nfs/dbraw/zinc/49/68/65/451496865.db2.gz VJWFGWKBJNDSJR-NSHGMRRFSA-N 2 2 343.471 1.366 20 0 EDADLP O=C1[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]2CCCCN12 ZINC000634716485 451496870 /nfs/dbraw/zinc/49/68/70/451496870.db2.gz VJWFGWKBJNDSJR-NSHGMRRFSA-N 2 2 343.471 1.366 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)C[NH+](C)C1CC1 ZINC000634724553 451506145 /nfs/dbraw/zinc/50/61/45/451506145.db2.gz SHVIGWZEOSXXOP-POAQFYNOSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)C[NH+](C)C1CC1 ZINC000634724553 451506150 /nfs/dbraw/zinc/50/61/50/451506150.db2.gz SHVIGWZEOSXXOP-POAQFYNOSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000634724553 451506155 /nfs/dbraw/zinc/50/61/55/451506155.db2.gz SHVIGWZEOSXXOP-POAQFYNOSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000634724553 451506161 /nfs/dbraw/zinc/50/61/61/451506161.db2.gz SHVIGWZEOSXXOP-POAQFYNOSA-N 3 2 331.504 1.799 20 0 EDADLP O[C@H](C[NH2+]Cc1ccnc(N2CCSCC2)c1)C[NH+]1CCCC1 ZINC000634728357 451508763 /nfs/dbraw/zinc/50/87/63/451508763.db2.gz XWOUAZWDRSUWTB-MRXNPFEDSA-N 2 2 336.505 1.181 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCO[C@@H](C(F)F)CC3)cn2)CC1 ZINC000634734768 451512668 /nfs/dbraw/zinc/51/26/68/451512668.db2.gz NVGXCEJVXANYIO-CQSZACIVSA-N 2 2 341.406 1.084 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCO[C@@H](C(F)F)CC3)cn2)CC1 ZINC000634734768 451512673 /nfs/dbraw/zinc/51/26/73/451512673.db2.gz NVGXCEJVXANYIO-CQSZACIVSA-N 2 2 341.406 1.084 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(c4ccccc4)C3)C2)CC1 ZINC000636792332 451513584 /nfs/dbraw/zinc/51/35/84/451513584.db2.gz UCKKFQKQHVRIMH-SFHVURJKSA-N 2 2 342.487 1.964 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(c4ccccc4)C3)C2)CC1 ZINC000636792332 451513586 /nfs/dbraw/zinc/51/35/86/451513586.db2.gz UCKKFQKQHVRIMH-SFHVURJKSA-N 2 2 342.487 1.964 20 0 EDADLP Cc1nnsc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000638440304 451517826 /nfs/dbraw/zinc/51/78/26/451517826.db2.gz LMIBVHPMPDHUER-UHFFFAOYSA-N 2 2 348.472 1.847 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000638468770 451530963 /nfs/dbraw/zinc/53/09/63/451530963.db2.gz MAKRREJTGCQTOC-CJNGLKHVSA-N 2 2 325.403 1.950 20 0 EDADLP COCCc1ncc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000631036815 451544517 /nfs/dbraw/zinc/54/45/17/451544517.db2.gz UAEWUQAXGRVKIN-KBPBESRZSA-N 2 2 327.494 1.921 20 0 EDADLP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)on1 ZINC000631051234 451555150 /nfs/dbraw/zinc/55/51/50/451555150.db2.gz BTZDCURFAKJUFR-UHFFFAOYSA-N 2 2 331.416 1.984 20 0 EDADLP COc1cc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)sn1 ZINC000638523118 451556983 /nfs/dbraw/zinc/55/69/83/451556983.db2.gz CKHPMKGVVIAKHH-UHFFFAOYSA-N 2 2 326.466 1.184 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)[nH+]cn2)C1 ZINC000634810006 451564898 /nfs/dbraw/zinc/56/48/98/451564898.db2.gz ISSVZXATRYKALQ-LVQVYYBASA-N 2 2 331.464 1.120 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)nc[nH+]2)C1 ZINC000634810006 451564904 /nfs/dbraw/zinc/56/49/04/451564904.db2.gz ISSVZXATRYKALQ-LVQVYYBASA-N 2 2 331.464 1.120 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](C)O ZINC000631075146 451569442 /nfs/dbraw/zinc/56/94/42/451569442.db2.gz BQOCSIHGMUGHNS-SJORKVTESA-N 2 2 336.476 1.894 20 0 EDADLP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000636872139 451572769 /nfs/dbraw/zinc/57/27/69/451572769.db2.gz DGIQTUUECSZZGY-CQSZACIVSA-N 2 2 337.493 1.503 20 0 EDADLP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000636872139 451572773 /nfs/dbraw/zinc/57/27/73/451572773.db2.gz DGIQTUUECSZZGY-CQSZACIVSA-N 2 2 337.493 1.503 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638571118 451581920 /nfs/dbraw/zinc/58/19/20/451581920.db2.gz PDXYFEKCYBLWOO-WBVHZDCISA-N 3 2 339.528 1.170 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638571118 451581925 /nfs/dbraw/zinc/58/19/25/451581925.db2.gz PDXYFEKCYBLWOO-WBVHZDCISA-N 3 2 339.528 1.170 20 0 EDADLP Cc1cc(NCCNC(=O)C[C@H]([NH3+])c2ccccc2)nc(C(C)C)[nH+]1 ZINC000638582676 451589266 /nfs/dbraw/zinc/58/92/66/451589266.db2.gz BKFMDXSEKFRKJV-INIZCTEOSA-N 2 2 341.459 2.527 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631147510 451608222 /nfs/dbraw/zinc/60/82/22/451608222.db2.gz RDLMAEJDPGCGKN-INIZCTEOSA-N 2 2 328.416 1.252 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631147510 451608228 /nfs/dbraw/zinc/60/82/28/451608228.db2.gz RDLMAEJDPGCGKN-INIZCTEOSA-N 2 2 328.416 1.252 20 0 EDADLP COCCc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000631178756 451628766 /nfs/dbraw/zinc/62/87/66/451628766.db2.gz VLLWTTJUMYVHMV-AWEZNQCLSA-N 2 2 325.478 1.675 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635010179 451648120 /nfs/dbraw/zinc/64/81/20/451648120.db2.gz QXNIHWFYBNRMIJ-HOCLYGCPSA-N 2 2 336.505 1.491 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](CCc2ccncc2)CC1)n1cc[nH+]c1 ZINC000636293016 451661503 /nfs/dbraw/zinc/66/15/03/451661503.db2.gz QNYQQBQEMHOSKI-MRXNPFEDSA-N 2 2 327.432 1.616 20 0 EDADLP COc1ccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1O ZINC000631275821 451675726 /nfs/dbraw/zinc/67/57/26/451675726.db2.gz IGNRTKYIKNWOSN-UHFFFAOYSA-N 2 2 349.475 1.428 20 0 EDADLP COc1ccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1O ZINC000631275821 451675728 /nfs/dbraw/zinc/67/57/28/451675728.db2.gz IGNRTKYIKNWOSN-UHFFFAOYSA-N 2 2 349.475 1.428 20 0 EDADLP C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637032405 451689138 /nfs/dbraw/zinc/68/91/38/451689138.db2.gz AEIMVPXMKKUSAZ-ZNMIVQPWSA-N 2 2 331.464 1.760 20 0 EDADLP C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000637032405 451689141 /nfs/dbraw/zinc/68/91/41/451689141.db2.gz AEIMVPXMKKUSAZ-ZNMIVQPWSA-N 2 2 331.464 1.760 20 0 EDADLP CCc1nc(NC2CC[NH+](CC(=O)N(CC)CC)CC2)cc(C)[nH+]1 ZINC000631316982 451693073 /nfs/dbraw/zinc/69/30/73/451693073.db2.gz UYDUCLZEYHMQDW-UHFFFAOYSA-N 2 2 333.480 2.092 20 0 EDADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CC2(CCC2)C1 ZINC000638730493 451669068 /nfs/dbraw/zinc/66/90/68/451669068.db2.gz XKLGPENETIDPIC-MRXNPFEDSA-N 2 2 344.459 1.060 20 0 EDADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CC2(CCC2)C1 ZINC000638730493 451669069 /nfs/dbraw/zinc/66/90/69/451669069.db2.gz XKLGPENETIDPIC-MRXNPFEDSA-N 2 2 344.459 1.060 20 0 EDADLP C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638921506 451736004 /nfs/dbraw/zinc/73/60/04/451736004.db2.gz NFAVUZICCCPHDB-PKOBYXMFSA-N 2 2 348.487 1.990 20 0 EDADLP C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638921506 451736007 /nfs/dbraw/zinc/73/60/07/451736007.db2.gz NFAVUZICCCPHDB-PKOBYXMFSA-N 2 2 348.487 1.990 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638921503 451736282 /nfs/dbraw/zinc/73/62/82/451736282.db2.gz NFAVUZICCCPHDB-HKUYNNGSSA-N 2 2 348.487 1.990 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638921503 451736285 /nfs/dbraw/zinc/73/62/85/451736285.db2.gz NFAVUZICCCPHDB-HKUYNNGSSA-N 2 2 348.487 1.990 20 0 EDADLP [NH3+][C@@H](c1cn(CC[NH+]2CCOCC2)nn1)c1ccc(Cl)cc1F ZINC000641034715 451736941 /nfs/dbraw/zinc/73/69/41/451736941.db2.gz WPTYIADNYOGGGZ-OAHLLOKOSA-N 2 2 339.802 1.451 20 0 EDADLP [NH3+][C@H](c1cn(Cc2c[nH+]cn2Cc2ccccc2)nn1)[C@@H]1CCCO1 ZINC000641038032 451737965 /nfs/dbraw/zinc/73/79/65/451737965.db2.gz CDIDYPQXASYTQV-ZWKOTPCHSA-N 2 2 338.415 1.750 20 0 EDADLP Cn1ncc(C2CC2)c1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986139 451746447 /nfs/dbraw/zinc/74/64/47/451746447.db2.gz WETMODAZRJEYKU-UHFFFAOYSA-N 2 2 326.404 1.354 20 0 EDADLP CC(C)Cn1nccc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985566 451746533 /nfs/dbraw/zinc/74/65/33/451746533.db2.gz KYXRWDNEJNNFNT-UHFFFAOYSA-N 2 2 328.420 1.596 20 0 EDADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003844 451751001 /nfs/dbraw/zinc/75/10/01/451751001.db2.gz KRVKRKQXCQFRRG-FUHWJXTLSA-N 2 2 331.464 1.071 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005614 451751645 /nfs/dbraw/zinc/75/16/45/451751645.db2.gz YDMUQHDYKPCIIC-INIZCTEOSA-N 2 2 333.480 1.174 20 0 EDADLP CC[C@]1(O)CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639075290 451762781 /nfs/dbraw/zinc/76/27/81/451762781.db2.gz HOTBFPCEIDCXMD-IBGZPJMESA-N 2 2 334.460 1.744 20 0 EDADLP CC[C@]1(O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639075290 451762782 /nfs/dbraw/zinc/76/27/82/451762782.db2.gz HOTBFPCEIDCXMD-IBGZPJMESA-N 2 2 334.460 1.744 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC(=O)N1C ZINC000639139192 451775161 /nfs/dbraw/zinc/77/51/61/451775161.db2.gz JXRYICUGSAIWHU-INIZCTEOSA-N 2 2 347.459 1.060 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC(=O)N1C ZINC000639139192 451775163 /nfs/dbraw/zinc/77/51/63/451775163.db2.gz JXRYICUGSAIWHU-INIZCTEOSA-N 2 2 347.459 1.060 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(C)CCC1 ZINC000641286631 451810588 /nfs/dbraw/zinc/81/05/88/451810588.db2.gz HKQHPBBVQSFUJR-UHFFFAOYSA-N 2 2 331.526 1.464 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(C)CCC1 ZINC000641286631 451810594 /nfs/dbraw/zinc/81/05/94/451810594.db2.gz HKQHPBBVQSFUJR-UHFFFAOYSA-N 2 2 331.526 1.464 20 0 EDADLP CCCOc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000644554087 451856948 /nfs/dbraw/zinc/85/69/48/451856948.db2.gz PEQFSBKJMUUCDX-ZOBUZTSGSA-N 2 2 337.464 1.430 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3CCCNC3=O)c2cc1C ZINC000644555706 451858262 /nfs/dbraw/zinc/85/82/62/451858262.db2.gz NTGOFQMRSLBZGZ-GJZGRUSLSA-N 2 2 330.432 1.130 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443384 451859994 /nfs/dbraw/zinc/85/99/94/451859994.db2.gz XSHDFRNHJOSSLA-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443384 451859999 /nfs/dbraw/zinc/85/99/99/451859999.db2.gz XSHDFRNHJOSSLA-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(=O)N1CCCC[C@@H]1C ZINC000644563117 451864979 /nfs/dbraw/zinc/86/49/79/451864979.db2.gz MLVFBGZRTDHLQJ-LNLFQRSKSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(=O)N1CCCC[C@@H]1C ZINC000644563117 451864981 /nfs/dbraw/zinc/86/49/81/451864981.db2.gz MLVFBGZRTDHLQJ-LNLFQRSKSA-N 2 2 347.503 1.858 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3nnnn3C3CC3)c2cc1C ZINC000644578798 451872902 /nfs/dbraw/zinc/87/29/02/451872902.db2.gz HOTRSALQAMRJSO-CQSZACIVSA-N 2 2 341.419 1.125 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)C1CC1 ZINC000644579979 451873626 /nfs/dbraw/zinc/87/36/26/451873626.db2.gz OGLSGQQLJZYNGF-OQIJWPOYSA-N 2 2 343.471 1.188 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)C1CC1 ZINC000644579979 451873629 /nfs/dbraw/zinc/87/36/29/451873629.db2.gz OGLSGQQLJZYNGF-OQIJWPOYSA-N 2 2 343.471 1.188 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000644581944 451876264 /nfs/dbraw/zinc/87/62/64/451876264.db2.gz YMHSTBIVPVCUTM-IRXDYDNUSA-N 2 2 333.476 1.468 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000644581944 451876268 /nfs/dbraw/zinc/87/62/68/451876268.db2.gz YMHSTBIVPVCUTM-IRXDYDNUSA-N 2 2 333.476 1.468 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000637470013 451885811 /nfs/dbraw/zinc/88/58/11/451885811.db2.gz IEDLRTBFRMVHMB-YESZJQIVSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000637470013 451885815 /nfs/dbraw/zinc/88/58/15/451885815.db2.gz IEDLRTBFRMVHMB-YESZJQIVSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637470013 451885822 /nfs/dbraw/zinc/88/58/22/451885822.db2.gz IEDLRTBFRMVHMB-YESZJQIVSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637470013 451885828 /nfs/dbraw/zinc/88/58/28/451885828.db2.gz IEDLRTBFRMVHMB-YESZJQIVSA-N 2 2 336.480 1.166 20 0 EDADLP CC[N@H+](CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)Cc1ccccc1Cl ZINC000646853477 451889988 /nfs/dbraw/zinc/88/99/88/451889988.db2.gz GUGRDYWSACDIDO-XJKSGUPXSA-N 2 2 339.867 1.737 20 0 EDADLP CC[N@@H+](CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)Cc1ccccc1Cl ZINC000646853477 451889993 /nfs/dbraw/zinc/88/99/93/451889993.db2.gz GUGRDYWSACDIDO-XJKSGUPXSA-N 2 2 339.867 1.737 20 0 EDADLP CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641383550 451918764 /nfs/dbraw/zinc/91/87/64/451918764.db2.gz RRBWMNDBQLPNAL-KRWDZBQOSA-N 2 2 348.472 1.419 20 0 EDADLP CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641383550 451918769 /nfs/dbraw/zinc/91/87/69/451918769.db2.gz RRBWMNDBQLPNAL-KRWDZBQOSA-N 2 2 348.472 1.419 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000644655929 451921211 /nfs/dbraw/zinc/92/12/11/451921211.db2.gz SHYUULQTWIOVKB-QKPAOTATSA-N 2 2 336.501 1.936 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000644655929 451921216 /nfs/dbraw/zinc/92/12/16/451921216.db2.gz SHYUULQTWIOVKB-QKPAOTATSA-N 2 2 336.501 1.936 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000641391446 451928139 /nfs/dbraw/zinc/92/81/39/451928139.db2.gz OGAQIMWLMVISCR-GOEBONIOSA-N 2 2 338.477 1.162 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000641391446 451928142 /nfs/dbraw/zinc/92/81/42/451928142.db2.gz OGAQIMWLMVISCR-GOEBONIOSA-N 2 2 338.477 1.162 20 0 EDADLP C[N@@H+]1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000641398751 451937028 /nfs/dbraw/zinc/93/70/28/451937028.db2.gz KFEBWDSUKITIAH-HZPDHXFCSA-N 2 2 334.445 1.248 20 0 EDADLP C[N@H+]1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000641398751 451937034 /nfs/dbraw/zinc/93/70/34/451937034.db2.gz KFEBWDSUKITIAH-HZPDHXFCSA-N 2 2 334.445 1.248 20 0 EDADLP O=C([C@H]1C[NH2+]CCOC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000649279663 451950465 /nfs/dbraw/zinc/95/04/65/451950465.db2.gz JTFOROYDMISDKQ-HNNXBMFYSA-N 2 2 337.851 1.220 20 0 EDADLP Cn1c2ccc(NC[C@@H](O)CN3CC[NH+](C)CC3)cc2[nH+]c1C1CC1 ZINC000644695775 451941035 /nfs/dbraw/zinc/94/10/35/451941035.db2.gz AVTSBZBXWCVOIO-MRXNPFEDSA-N 2 2 343.475 1.471 20 0 EDADLP Cn1c2ccc(NC[C@@H](O)C[NH+]3CCN(C)CC3)cc2[nH+]c1C1CC1 ZINC000644695775 451941040 /nfs/dbraw/zinc/94/10/40/451941040.db2.gz AVTSBZBXWCVOIO-MRXNPFEDSA-N 2 2 343.475 1.471 20 0 EDADLP CC[N@H+](CCCNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000649281494 451954304 /nfs/dbraw/zinc/95/43/04/451954304.db2.gz NEEKVVYOAZGEDE-MRXNPFEDSA-N 2 2 342.447 1.459 20 0 EDADLP CC[N@@H+](CCCNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000649281494 451954308 /nfs/dbraw/zinc/95/43/08/451954308.db2.gz NEEKVVYOAZGEDE-MRXNPFEDSA-N 2 2 342.447 1.459 20 0 EDADLP CC[N@H+](CCCNC(=O)CN1CCCC[C@H]([NH3+])C1=O)c1ccccc1 ZINC000649281562 451954324 /nfs/dbraw/zinc/95/43/24/451954324.db2.gz TXJQKHJKAQRTPZ-KRWDZBQOSA-N 2 2 346.475 1.359 20 0 EDADLP CC[N@@H+](CCCNC(=O)CN1CCCC[C@H]([NH3+])C1=O)c1ccccc1 ZINC000649281562 451954327 /nfs/dbraw/zinc/95/43/27/451954327.db2.gz TXJQKHJKAQRTPZ-KRWDZBQOSA-N 2 2 346.475 1.359 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)COC1(C)C[NH2+]C1)c1cccc(F)c1 ZINC000649282928 451955772 /nfs/dbraw/zinc/95/57/72/451955772.db2.gz SQGRCOCRVOZPQM-OAHLLOKOSA-N 2 2 332.379 1.143 20 0 EDADLP CC(C)([NH3+])CCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000649284190 451958014 /nfs/dbraw/zinc/95/80/14/451958014.db2.gz VSYUXJRVTBKCKW-UHFFFAOYSA-N 2 2 346.475 1.723 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000649303288 451979581 /nfs/dbraw/zinc/97/95/81/451979581.db2.gz QKOGSHHHLBIPJO-BDXSIMOUSA-N 2 2 329.444 1.235 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])CCCC2)no1 ZINC000649307816 451985602 /nfs/dbraw/zinc/98/56/02/451985602.db2.gz OPYRLAWDIILNIL-OLZOCXBDSA-N 2 2 335.452 1.392 20 0 EDADLP CC(C)([NH3+])CCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000649330219 452012217 /nfs/dbraw/zinc/01/22/17/452012217.db2.gz FSPSWHTUBKQRMA-KRWDZBQOSA-N 2 2 333.476 1.564 20 0 EDADLP CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)CCn1cc[nH+]c1)c1ccco1 ZINC000641487959 452020146 /nfs/dbraw/zinc/02/01/46/452020146.db2.gz BKGJDEYOYJGGML-UONOGXRCSA-N 2 2 340.449 1.525 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000651710652 452028606 /nfs/dbraw/zinc/02/86/06/452028606.db2.gz JTZWWOSSPJRCMY-INIZCTEOSA-N 2 2 337.439 1.330 20 0 EDADLP COC[C@]1(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC[NH2+]1 ZINC000649347650 452029963 /nfs/dbraw/zinc/02/99/63/452029963.db2.gz MIYDXURUMMEUOK-KDOFPFPSSA-N 2 2 328.416 1.818 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000649471891 452099629 /nfs/dbraw/zinc/09/96/29/452099629.db2.gz PHVVYIWCFASWOT-QGZVFWFLSA-N 2 2 331.460 1.670 20 0 EDADLP C[N@H+]1CCC[C@@H]1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000649471891 452099637 /nfs/dbraw/zinc/09/96/37/452099637.db2.gz PHVVYIWCFASWOT-QGZVFWFLSA-N 2 2 331.460 1.670 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651842438 452111654 /nfs/dbraw/zinc/11/16/54/452111654.db2.gz WCWKTHNEWUEDAS-AWEZNQCLSA-N 2 2 334.464 1.066 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651842438 452111660 /nfs/dbraw/zinc/11/16/60/452111660.db2.gz WCWKTHNEWUEDAS-AWEZNQCLSA-N 2 2 334.464 1.066 20 0 EDADLP Cc1sc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1-c1ccco1 ZINC000637865957 452122734 /nfs/dbraw/zinc/12/27/34/452122734.db2.gz GYGQITPDFIJEJW-GFCCVEGCSA-N 2 2 334.445 1.355 20 0 EDADLP Cc1sc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nc1-c1ccco1 ZINC000637865957 452122740 /nfs/dbraw/zinc/12/27/40/452122740.db2.gz GYGQITPDFIJEJW-GFCCVEGCSA-N 2 2 334.445 1.355 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2c2cn[nH]c2)C1 ZINC000639780863 452125411 /nfs/dbraw/zinc/12/54/11/452125411.db2.gz NBRTZDAYCTZZKG-DLBZAZTESA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2c2cn[nH]c2)C1 ZINC000639780863 452125414 /nfs/dbraw/zinc/12/54/14/452125414.db2.gz NBRTZDAYCTZZKG-DLBZAZTESA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)C1 ZINC000639780863 452125417 /nfs/dbraw/zinc/12/54/17/452125417.db2.gz NBRTZDAYCTZZKG-DLBZAZTESA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2cn[nH]c2)C1 ZINC000639780863 452125420 /nfs/dbraw/zinc/12/54/20/452125420.db2.gz NBRTZDAYCTZZKG-DLBZAZTESA-N 2 2 349.479 1.020 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2n(n1)CCCC2 ZINC000647287286 452166328 /nfs/dbraw/zinc/16/63/28/452166328.db2.gz YWOAFDRMZIEILN-QAPCUYQASA-N 2 2 347.507 1.813 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2n(n1)CCCC2 ZINC000647287286 452166335 /nfs/dbraw/zinc/16/63/35/452166335.db2.gz YWOAFDRMZIEILN-QAPCUYQASA-N 2 2 347.507 1.813 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2n(n1)CCCC2 ZINC000647287285 452166446 /nfs/dbraw/zinc/16/64/46/452166446.db2.gz YWOAFDRMZIEILN-MAUKXSAKSA-N 2 2 347.507 1.813 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2n(n1)CCCC2 ZINC000647287285 452166452 /nfs/dbraw/zinc/16/64/52/452166452.db2.gz YWOAFDRMZIEILN-MAUKXSAKSA-N 2 2 347.507 1.813 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647325610 452178926 /nfs/dbraw/zinc/17/89/26/452178926.db2.gz KJNVVDGQSBDQHB-RDJZCZTQSA-N 2 2 328.464 1.643 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647325610 452178930 /nfs/dbraw/zinc/17/89/30/452178930.db2.gz KJNVVDGQSBDQHB-RDJZCZTQSA-N 2 2 328.464 1.643 20 0 EDADLP Cc1[nH]c2nc[nH+]c(N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)c2c1C ZINC000645174265 452192595 /nfs/dbraw/zinc/19/25/95/452192595.db2.gz RQLUNKYXNMASQM-OAHLLOKOSA-N 2 2 328.464 1.791 20 0 EDADLP CSc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000641728326 452224900 /nfs/dbraw/zinc/22/49/00/452224900.db2.gz PHPYLRKIBZAOHT-CQSZACIVSA-N 2 2 325.478 1.498 20 0 EDADLP c1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480642 452226424 /nfs/dbraw/zinc/22/64/24/452226424.db2.gz WDRIMLQQOAXWLX-HOCLYGCPSA-N 2 2 336.505 1.944 20 0 EDADLP c1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480642 452226433 /nfs/dbraw/zinc/22/64/33/452226433.db2.gz WDRIMLQQOAXWLX-HOCLYGCPSA-N 2 2 336.505 1.944 20 0 EDADLP COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649764761 452240607 /nfs/dbraw/zinc/24/06/07/452240607.db2.gz OHURHOAGCSJNSS-QRVBRYPASA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@H]1C[C@@H](O)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000649764761 452240611 /nfs/dbraw/zinc/24/06/11/452240611.db2.gz OHURHOAGCSJNSS-QRVBRYPASA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@H]1C[C@@H](O)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000649764761 452240616 /nfs/dbraw/zinc/24/06/16/452240616.db2.gz OHURHOAGCSJNSS-QRVBRYPASA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@H]1C[C@@H](O)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000649764761 452240620 /nfs/dbraw/zinc/24/06/20/452240620.db2.gz OHURHOAGCSJNSS-QRVBRYPASA-N 2 2 334.460 1.359 20 0 EDADLP CCn1ccc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000649772105 452244013 /nfs/dbraw/zinc/24/40/13/452244013.db2.gz BJEOCYUIJDMHMA-UHFFFAOYSA-N 2 2 347.507 1.512 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000641784340 452254539 /nfs/dbraw/zinc/25/45/39/452254539.db2.gz BZDCAHZQBAFLQA-QZTJIDSGSA-N 2 2 337.508 1.474 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccncc1 ZINC000641785346 452257363 /nfs/dbraw/zinc/25/73/63/452257363.db2.gz IEXQNIJJVCIOQO-RTBURBONSA-N 2 2 332.492 1.919 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)c2cc1C ZINC000647522016 452257717 /nfs/dbraw/zinc/25/77/17/452257717.db2.gz ZFMYSOGQJFJERJ-SMDDNHRTSA-N 2 2 331.338 1.527 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1Cc1c[nH+]c(N)nc1N ZINC000638018983 452262036 /nfs/dbraw/zinc/26/20/36/452262036.db2.gz RXCFZEMGNGNPBI-AWEZNQCLSA-N 2 2 326.448 1.398 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1c[nH+]c(N)nc1N ZINC000638018983 452262052 /nfs/dbraw/zinc/26/20/52/452262052.db2.gz RXCFZEMGNGNPBI-AWEZNQCLSA-N 2 2 326.448 1.398 20 0 EDADLP COC1([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCCC1 ZINC000641788050 452262582 /nfs/dbraw/zinc/26/25/82/452262582.db2.gz XSXYDHWFFJNHJB-MSOLQXFVSA-N 2 2 339.524 1.720 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)nc[nH+]1 ZINC000665703485 452265242 /nfs/dbraw/zinc/26/52/42/452265242.db2.gz VJDHONMOQASNBO-DOTOQJQBSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)nc[nH+]1 ZINC000665703485 452265247 /nfs/dbraw/zinc/26/52/47/452265247.db2.gz VJDHONMOQASNBO-DOTOQJQBSA-N 2 2 341.459 1.980 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000659428634 452271559 /nfs/dbraw/zinc/27/15/59/452271559.db2.gz DBHGLZOXMNXLPG-MSOLQXFVSA-N 2 2 348.491 1.733 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1cccc(F)c1 ZINC000659430209 452274888 /nfs/dbraw/zinc/27/48/88/452274888.db2.gz UPVCDAALYCYITP-HBSPSFQMSA-N 2 2 343.406 1.700 20 0 EDADLP COC1([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000665717508 452281358 /nfs/dbraw/zinc/28/13/58/452281358.db2.gz AEQIASXKQUUSBE-GJZGRUSLSA-N 2 2 338.496 1.412 20 0 EDADLP COC1([C@H](C)NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000665717508 452281368 /nfs/dbraw/zinc/28/13/68/452281368.db2.gz AEQIASXKQUUSBE-GJZGRUSLSA-N 2 2 338.496 1.412 20 0 EDADLP CC1(C)[C@H]([NH2+]CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@@H]1[NH3+] ZINC000641808017 452287742 /nfs/dbraw/zinc/28/77/42/452287742.db2.gz XGCQMOVGKXSXEN-UONOGXRCSA-N 2 2 330.432 1.466 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2[nH+]1 ZINC000657526364 452313492 /nfs/dbraw/zinc/31/34/92/452313492.db2.gz CBWQGIKEGNCQST-ZFWWWQNUSA-N 2 2 341.415 1.324 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2[nH+]1 ZINC000657526364 452313500 /nfs/dbraw/zinc/31/35/00/452313500.db2.gz CBWQGIKEGNCQST-ZFWWWQNUSA-N 2 2 341.415 1.324 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000659465773 452321063 /nfs/dbraw/zinc/32/10/63/452321063.db2.gz RZIMXBGQNPPVHA-UHFFFAOYSA-N 2 2 339.443 1.759 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638053579 452332700 /nfs/dbraw/zinc/33/27/00/452332700.db2.gz JPCQTPRVPBZRBP-ZWKOTPCHSA-N 2 2 329.444 1.532 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659494196 452357908 /nfs/dbraw/zinc/35/79/08/452357908.db2.gz NCDJFRZHTATCLW-LSDHHAIUSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659494196 452357918 /nfs/dbraw/zinc/35/79/18/452357918.db2.gz NCDJFRZHTATCLW-LSDHHAIUSA-N 2 2 331.464 1.688 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000652172496 452368261 /nfs/dbraw/zinc/36/82/61/452368261.db2.gz ADRRAVCZNJQNNN-KRWDZBQOSA-N 2 2 339.443 1.879 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000638068412 452373700 /nfs/dbraw/zinc/37/37/00/452373700.db2.gz KLEWHEDADLHCIL-INIZCTEOSA-N 2 2 328.416 1.342 20 0 EDADLP C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000659511159 452375375 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EDADLP C[NH2+]Cc1ccccc1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000652291554 452476324 /nfs/dbraw/zinc/47/63/24/452476324.db2.gz YZGKAZUYGFXKRR-CALCHBBNSA-N 2 2 332.448 1.068 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000652291554 452476332 /nfs/dbraw/zinc/47/63/32/452476332.db2.gz YZGKAZUYGFXKRR-CALCHBBNSA-N 2 2 332.448 1.068 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)C[NH+]1CCCCC1 ZINC000663754339 452483982 /nfs/dbraw/zinc/48/39/82/452483982.db2.gz GMEYWCGLAWJJBW-IKGGRYGDSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)C[NH+]1CCCCC1 ZINC000663754339 452483992 /nfs/dbraw/zinc/48/39/92/452483992.db2.gz GMEYWCGLAWJJBW-IKGGRYGDSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC4(CC4(F)F)C3)C2)CC1 ZINC000654444730 452506036 /nfs/dbraw/zinc/50/60/36/452506036.db2.gz BKAJUJNGAHGJPQ-LBPRGKRZSA-N 2 2 328.407 1.206 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC4(CC4(F)F)C3)C2)CC1 ZINC000654444730 452506048 /nfs/dbraw/zinc/50/60/48/452506048.db2.gz BKAJUJNGAHGJPQ-LBPRGKRZSA-N 2 2 328.407 1.206 20 0 EDADLP C[C@@H](Cc1cccc(O)c1)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663781867 452511479 /nfs/dbraw/zinc/51/14/79/452511479.db2.gz DIIBBIYJUFRJLT-HNNXBMFYSA-N 2 2 336.480 1.506 20 0 EDADLP C[C@@H](Cc1cccc(O)c1)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663781867 452511485 /nfs/dbraw/zinc/51/14/85/452511485.db2.gz DIIBBIYJUFRJLT-HNNXBMFYSA-N 2 2 336.480 1.506 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000652357405 452537585 /nfs/dbraw/zinc/53/75/85/452537585.db2.gz OEKQPMXNCLFKGX-NVXWUHKLSA-N 2 2 331.460 1.130 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000652357405 452537592 /nfs/dbraw/zinc/53/75/92/452537592.db2.gz OEKQPMXNCLFKGX-NVXWUHKLSA-N 2 2 331.460 1.130 20 0 EDADLP C=Cn1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801584 452539192 /nfs/dbraw/zinc/53/91/92/452539192.db2.gz SOOHZIHNTHZDJL-IBGZPJMESA-N 2 2 325.460 1.889 20 0 EDADLP C=Cn1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801584 452539202 /nfs/dbraw/zinc/53/92/02/452539202.db2.gz SOOHZIHNTHZDJL-IBGZPJMESA-N 2 2 325.460 1.889 20 0 EDADLP NC(=O)C[N@@H+]1CCc2ccc(N[C@H]3CCCn4cc[nH+]c43)cc2C1 ZINC000655762258 452564866 /nfs/dbraw/zinc/56/48/66/452564866.db2.gz VJCIETUBKOEMEP-INIZCTEOSA-N 2 2 325.416 1.674 20 0 EDADLP NC(=O)C[N@H+]1CCc2ccc(N[C@H]3CCCn4cc[nH+]c43)cc2C1 ZINC000655762258 452564876 /nfs/dbraw/zinc/56/48/76/452564876.db2.gz VJCIETUBKOEMEP-INIZCTEOSA-N 2 2 325.416 1.674 20 0 EDADLP CC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCCCO1 ZINC000654509077 452583328 /nfs/dbraw/zinc/58/33/28/452583328.db2.gz QQLSXTMJTPSPSP-DLBZAZTESA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CCO1 ZINC000647864167 452600686 /nfs/dbraw/zinc/60/06/86/452600686.db2.gz RBMJTJJFOJZLJT-FZMZJTMJSA-N 2 2 336.823 1.981 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CCO1 ZINC000647864167 452600691 /nfs/dbraw/zinc/60/06/91/452600691.db2.gz RBMJTJJFOJZLJT-FZMZJTMJSA-N 2 2 336.823 1.981 20 0 EDADLP NC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647882637 452621545 /nfs/dbraw/zinc/62/15/45/452621545.db2.gz HWELWLCREHOGQA-GBESFXJTSA-N 2 2 339.439 1.002 20 0 EDADLP NC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647882637 452621548 /nfs/dbraw/zinc/62/15/48/452621548.db2.gz HWELWLCREHOGQA-GBESFXJTSA-N 2 2 339.439 1.002 20 0 EDADLP Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000647886798 452625030 /nfs/dbraw/zinc/62/50/30/452625030.db2.gz WNUQGPOVOHCXJZ-ZWKOTPCHSA-N 2 2 345.487 1.824 20 0 EDADLP CCC[N@H+](C)CC(C)(C)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000663899799 452628465 /nfs/dbraw/zinc/62/84/65/452628465.db2.gz OYZFNZRLYKZZQA-UHFFFAOYSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](C)CC(C)(C)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000663899799 452628478 /nfs/dbraw/zinc/62/84/78/452628478.db2.gz OYZFNZRLYKZZQA-UHFFFAOYSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](C)CC(C)(C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000663899799 452628489 /nfs/dbraw/zinc/62/84/89/452628489.db2.gz OYZFNZRLYKZZQA-UHFFFAOYSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](C)CC(C)(C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000663899799 452628497 /nfs/dbraw/zinc/62/84/97/452628497.db2.gz OYZFNZRLYKZZQA-UHFFFAOYSA-N 2 2 328.501 1.517 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901570 452642485 /nfs/dbraw/zinc/64/24/85/452642485.db2.gz QPDJPVIJOPAAAO-ZWKOTPCHSA-N 2 2 345.487 1.818 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901570 452642492 /nfs/dbraw/zinc/64/24/92/452642492.db2.gz QPDJPVIJOPAAAO-ZWKOTPCHSA-N 2 2 345.487 1.818 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)CC[C@@H]1[NH3+] ZINC000647936494 452677183 /nfs/dbraw/zinc/67/71/83/452677183.db2.gz GGOSAVPKQVUWQZ-WCXIOVBPSA-N 2 2 325.497 1.757 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)CC[C@@H]1[NH3+] ZINC000647936494 452677189 /nfs/dbraw/zinc/67/71/89/452677189.db2.gz GGOSAVPKQVUWQZ-WCXIOVBPSA-N 2 2 325.497 1.757 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC[C@H]1[NH3+] ZINC000647938205 452680192 /nfs/dbraw/zinc/68/01/92/452680192.db2.gz IANPOGMQAFIFPD-WOSRLPQWSA-N 2 2 332.448 1.432 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC[C@H]1[NH3+] ZINC000647938205 452680198 /nfs/dbraw/zinc/68/01/98/452680198.db2.gz IANPOGMQAFIFPD-WOSRLPQWSA-N 2 2 332.448 1.432 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957551 452701789 /nfs/dbraw/zinc/70/17/89/452701789.db2.gz APFOKGOTKZDTMI-DNVCBOLYSA-N 2 2 331.460 1.948 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957551 452701795 /nfs/dbraw/zinc/70/17/95/452701795.db2.gz APFOKGOTKZDTMI-DNVCBOLYSA-N 2 2 331.460 1.948 20 0 EDADLP Cc1cc(N2CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000647957899 452703377 /nfs/dbraw/zinc/70/33/77/452703377.db2.gz SOYPVDOLIRFVCZ-QGZVFWFLSA-N 2 2 349.523 1.732 20 0 EDADLP Cc1cc(N2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000647957899 452703385 /nfs/dbraw/zinc/70/33/85/452703385.db2.gz SOYPVDOLIRFVCZ-QGZVFWFLSA-N 2 2 349.523 1.732 20 0 EDADLP Cc1ccc([C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C(F)(F)F)o1 ZINC000655933141 452703623 /nfs/dbraw/zinc/70/36/23/452703623.db2.gz HKLYIEQAEUWAKX-JQWIXIFHSA-N 2 2 334.342 1.476 20 0 EDADLP Cc1ccc([C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C(F)(F)F)o1 ZINC000655933141 452703632 /nfs/dbraw/zinc/70/36/32/452703632.db2.gz HKLYIEQAEUWAKX-JQWIXIFHSA-N 2 2 334.342 1.476 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000661951799 452712031 /nfs/dbraw/zinc/71/20/31/452712031.db2.gz RMWMTRMQOCXVPS-FUHWJXTLSA-N 2 2 345.491 1.954 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000661951799 452712039 /nfs/dbraw/zinc/71/20/39/452712039.db2.gz RMWMTRMQOCXVPS-FUHWJXTLSA-N 2 2 345.491 1.954 20 0 EDADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000655941401 452712020 /nfs/dbraw/zinc/71/20/20/452712020.db2.gz SKIYJYGFEYCGFV-CQSZACIVSA-N 2 2 330.354 1.993 20 0 EDADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)nn1 ZINC000655941401 452712028 /nfs/dbraw/zinc/71/20/28/452712028.db2.gz SKIYJYGFEYCGFV-CQSZACIVSA-N 2 2 330.354 1.993 20 0 EDADLP CN1c2ccccc2C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000658107133 452728908 /nfs/dbraw/zinc/72/89/08/452728908.db2.gz KOSVORKGOBZKEN-MSOLQXFVSA-N 2 2 343.471 1.807 20 0 EDADLP C[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000647995935 452737042 /nfs/dbraw/zinc/73/70/42/452737042.db2.gz CLARFFZBRHFVKU-COXVUDFISA-N 2 2 343.431 1.250 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000648032307 452769498 /nfs/dbraw/zinc/76/94/98/452769498.db2.gz ANZGTDGCVOTDPV-PBHICJAKSA-N 2 2 329.448 1.826 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654656893 452771623 /nfs/dbraw/zinc/77/16/23/452771623.db2.gz ZQFVSHJURQDGLD-LUKYLMHMSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654656893 452771633 /nfs/dbraw/zinc/77/16/33/452771633.db2.gz ZQFVSHJURQDGLD-LUKYLMHMSA-N 2 2 340.512 1.610 20 0 EDADLP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCN(C)C1 ZINC000648056676 452786879 /nfs/dbraw/zinc/78/68/79/452786879.db2.gz RPQUVXOLBGJTGX-QGZVFWFLSA-N 2 2 332.496 1.145 20 0 EDADLP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCN(C)C1 ZINC000648056676 452786886 /nfs/dbraw/zinc/78/68/86/452786886.db2.gz RPQUVXOLBGJTGX-QGZVFWFLSA-N 2 2 332.496 1.145 20 0 EDADLP COc1cccc(OC)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000643885771 452792888 /nfs/dbraw/zinc/79/28/88/452792888.db2.gz ZHAGPCDNGKIJNC-UHFFFAOYSA-N 2 2 333.476 1.917 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000648089672 452809930 /nfs/dbraw/zinc/80/99/30/452809930.db2.gz KIWDWCNIGGZBLU-KRWDZBQOSA-N 2 2 341.415 1.204 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000648118707 452835955 /nfs/dbraw/zinc/83/59/55/452835955.db2.gz ZGTDKPFGCSJJFK-JYJNAYRXSA-N 3 2 345.491 1.279 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000658336793 452853226 /nfs/dbraw/zinc/85/32/26/452853226.db2.gz RCNNIYSKLAYRPC-AWEZNQCLSA-N 2 2 349.479 1.025 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000658336793 452853236 /nfs/dbraw/zinc/85/32/36/452853236.db2.gz RCNNIYSKLAYRPC-AWEZNQCLSA-N 2 2 349.479 1.025 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C1 ZINC000662153158 452888555 /nfs/dbraw/zinc/88/85/55/452888555.db2.gz OLFLLXFKRXQDGG-LJQANCHMSA-N 2 2 326.444 1.903 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C1 ZINC000662153158 452888562 /nfs/dbraw/zinc/88/85/62/452888562.db2.gz OLFLLXFKRXQDGG-LJQANCHMSA-N 2 2 326.444 1.903 20 0 EDADLP CN(C(=O)c1ccn(C(C)(C)C)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773914 452905611 /nfs/dbraw/zinc/90/56/11/452905611.db2.gz NPKNVTVTQZBZNE-INIZCTEOSA-N 2 2 347.507 1.879 20 0 EDADLP CN(C(=O)c1ccn(C(C)(C)C)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773914 452905618 /nfs/dbraw/zinc/90/56/18/452905618.db2.gz NPKNVTVTQZBZNE-INIZCTEOSA-N 2 2 347.507 1.879 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)C3([NH3+])Cc4ccccc4C3)cn21 ZINC000648210870 452916696 /nfs/dbraw/zinc/91/66/96/452916696.db2.gz CVJWUTRBCZAFPV-UHFFFAOYSA-N 2 2 334.423 1.798 20 0 EDADLP COc1c(C)[nH+]cnc1NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000656202208 452958031 /nfs/dbraw/zinc/95/80/31/452958031.db2.gz ZOAXKIDMZNMZQF-UHFFFAOYSA-N 2 2 335.452 1.002 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977878 452964574 /nfs/dbraw/zinc/96/45/74/452964574.db2.gz MIYIOTVAGMHEMP-HKUYNNGSSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977878 452964584 /nfs/dbraw/zinc/96/45/84/452964584.db2.gz MIYIOTVAGMHEMP-HKUYNNGSSA-N 3 2 344.503 1.751 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1=CCSC1 ZINC000662271388 453000035 /nfs/dbraw/zinc/00/00/35/453000035.db2.gz VUPMUHVOKOVPQV-UHFFFAOYSA-N 2 2 345.512 1.936 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1=CCSC1 ZINC000662271388 453000037 /nfs/dbraw/zinc/00/00/37/453000037.db2.gz VUPMUHVOKOVPQV-UHFFFAOYSA-N 2 2 345.512 1.936 20 0 EDADLP CN(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000662286049 453009902 /nfs/dbraw/zinc/00/99/02/453009902.db2.gz RMKADDOEBPGYPI-QGZVFWFLSA-N 2 2 331.460 1.227 20 0 EDADLP Brc1ccc(N2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662305722 453027613 /nfs/dbraw/zinc/02/76/13/453027613.db2.gz KSKZGAJDWAFDSH-OAHLLOKOSA-N 2 2 340.265 1.560 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662315313 453032497 /nfs/dbraw/zinc/03/24/97/453032497.db2.gz DURLFMFACHEAHF-BBWFWOEESA-N 2 2 325.497 1.534 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662315313 453032504 /nfs/dbraw/zinc/03/25/04/453032504.db2.gz DURLFMFACHEAHF-BBWFWOEESA-N 2 2 325.497 1.534 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CCO1 ZINC000662319724 453035701 /nfs/dbraw/zinc/03/57/01/453035701.db2.gz AXMQDHKMSRGYAZ-QGZVFWFLSA-N 2 2 337.439 1.485 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)CCO1 ZINC000662319724 453035712 /nfs/dbraw/zinc/03/57/12/453035712.db2.gz AXMQDHKMSRGYAZ-QGZVFWFLSA-N 2 2 337.439 1.485 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCOCc2ccccc2)CC1 ZINC000660120314 453047715 /nfs/dbraw/zinc/04/77/15/453047715.db2.gz IGDYZCOWWDTWMS-SFHVURJKSA-N 2 2 331.460 1.617 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCOCc2ccccc2)CC1 ZINC000660120314 453047725 /nfs/dbraw/zinc/04/77/25/453047725.db2.gz IGDYZCOWWDTWMS-SFHVURJKSA-N 2 2 331.460 1.617 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000658522898 453075307 /nfs/dbraw/zinc/07/53/07/453075307.db2.gz QSNBHHAOFNTQPJ-AWEZNQCLSA-N 2 2 347.463 1.105 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000658522898 453075312 /nfs/dbraw/zinc/07/53/12/453075312.db2.gz QSNBHHAOFNTQPJ-AWEZNQCLSA-N 2 2 347.463 1.105 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662367547 453078761 /nfs/dbraw/zinc/07/87/61/453078761.db2.gz KBFHMNJTCLELSY-JTQLQIEISA-N 2 2 344.806 1.718 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151163 453082123 /nfs/dbraw/zinc/08/21/23/453082123.db2.gz PPKILIAPPABKHY-LJQANCHMSA-N 3 2 340.556 1.178 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000660151163 453082128 /nfs/dbraw/zinc/08/21/28/453082128.db2.gz PPKILIAPPABKHY-LJQANCHMSA-N 3 2 340.556 1.178 20 0 EDADLP Cn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(-c2ccc(F)cc2)n1 ZINC000648437287 453087091 /nfs/dbraw/zinc/08/70/91/453087091.db2.gz NCLRUZZKOCPWFZ-UHFFFAOYSA-N 2 2 345.422 1.090 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000660177291 453106122 /nfs/dbraw/zinc/10/61/22/453106122.db2.gz BVLHSLMCXWAOJF-ZWKOTPCHSA-N 2 2 333.476 1.641 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000660177291 453106134 /nfs/dbraw/zinc/10/61/34/453106134.db2.gz BVLHSLMCXWAOJF-ZWKOTPCHSA-N 2 2 333.476 1.641 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCN(c3ccc(F)cc3)C1=O)CCO2 ZINC000646106607 453110135 /nfs/dbraw/zinc/11/01/35/453110135.db2.gz DZUOETWTKZVZPJ-KRWDZBQOSA-N 2 2 347.434 1.728 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCN(c3ccc(F)cc3)C1=O)CCO2 ZINC000646106607 453110142 /nfs/dbraw/zinc/11/01/42/453110142.db2.gz DZUOETWTKZVZPJ-KRWDZBQOSA-N 2 2 347.434 1.728 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000662446494 453154165 /nfs/dbraw/zinc/15/41/65/453154165.db2.gz DWGQTORSZWIBHJ-KRWDZBQOSA-N 2 2 333.476 1.862 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000662446494 453154172 /nfs/dbraw/zinc/15/41/72/453154172.db2.gz DWGQTORSZWIBHJ-KRWDZBQOSA-N 2 2 333.476 1.862 20 0 EDADLP C[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255508 453158154 /nfs/dbraw/zinc/15/81/54/453158154.db2.gz CCRSWFXDHSRBKY-JSGCOSHPSA-N 2 2 341.477 1.670 20 0 EDADLP C[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255508 453158164 /nfs/dbraw/zinc/15/81/64/453158164.db2.gz CCRSWFXDHSRBKY-JSGCOSHPSA-N 2 2 341.477 1.670 20 0 EDADLP CC(C)O[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000650994170 453170359 /nfs/dbraw/zinc/17/03/59/453170359.db2.gz CSJGHZNISLAWNT-KRWDZBQOSA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000662462045 453170743 /nfs/dbraw/zinc/17/07/43/453170743.db2.gz QNAMLUYDKMCSBF-KBPBESRZSA-N 2 2 329.391 1.436 20 0 EDADLP Cc1cc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000664533482 453171577 /nfs/dbraw/zinc/17/15/77/453171577.db2.gz BQIATRRPRVNQHB-LJQANCHMSA-N 2 2 327.428 1.487 20 0 EDADLP Cc1cc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000664533482 453171581 /nfs/dbraw/zinc/17/15/81/453171581.db2.gz BQIATRRPRVNQHB-LJQANCHMSA-N 2 2 327.428 1.487 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000664537547 453176869 /nfs/dbraw/zinc/17/68/69/453176869.db2.gz OGUCXQFVBAKHRO-MRXNPFEDSA-N 3 2 339.528 1.184 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000664537547 453176879 /nfs/dbraw/zinc/17/68/79/453176879.db2.gz OGUCXQFVBAKHRO-MRXNPFEDSA-N 3 2 339.528 1.184 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000664550751 453187178 /nfs/dbraw/zinc/18/71/78/453187178.db2.gz GPKVZCILWQVBFL-CVEARBPZSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000664550751 453187185 /nfs/dbraw/zinc/18/71/85/453187185.db2.gz GPKVZCILWQVBFL-CVEARBPZSA-N 2 2 342.528 1.763 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000653000491 453192125 /nfs/dbraw/zinc/19/21/25/453192125.db2.gz GWBGSAPAANHIIS-ZACQAIPSSA-N 2 2 341.496 1.055 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646181455 453193593 /nfs/dbraw/zinc/19/35/93/453193593.db2.gz OEMQPWKUVNVGJW-YQQAZPJKSA-N 2 2 334.464 1.312 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646181455 453193598 /nfs/dbraw/zinc/19/35/98/453193598.db2.gz OEMQPWKUVNVGJW-YQQAZPJKSA-N 2 2 334.464 1.312 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000646185922 453198625 /nfs/dbraw/zinc/19/86/25/453198625.db2.gz SATLWUWLJUWKBF-RYRKJORJSA-N 2 2 348.491 1.793 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000648719697 453205895 /nfs/dbraw/zinc/20/58/95/453205895.db2.gz IIMCPYGLXVNNNI-HOTGVXAUSA-N 2 2 336.480 1.870 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000648719697 453205903 /nfs/dbraw/zinc/20/59/03/453205903.db2.gz IIMCPYGLXVNNNI-HOTGVXAUSA-N 2 2 336.480 1.870 20 0 EDADLP C[NH2+][C@H](C(=O)N1CC[NH+](CCO)CC1)c1cccc(Cl)c1Cl ZINC000662516241 453234852 /nfs/dbraw/zinc/23/48/52/453234852.db2.gz CIRJEBPILUFSSW-AWEZNQCLSA-N 2 2 346.258 1.390 20 0 EDADLP CCCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058814 453235639 /nfs/dbraw/zinc/23/56/39/453235639.db2.gz HFZQUVTUVQRLOW-GJZGRUSLSA-N 2 2 335.448 1.344 20 0 EDADLP Cn1ccnc1Sc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653063055 453240233 /nfs/dbraw/zinc/24/02/33/453240233.db2.gz VFUZMPNKFFJIKZ-AWEZNQCLSA-N 2 2 333.461 1.789 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(NC(=O)C2CC2)cc1 ZINC000653069722 453247707 /nfs/dbraw/zinc/24/77/07/453247707.db2.gz XTYHWWZBKZSTQN-BLLLJJGKSA-N 2 2 332.448 1.491 20 0 EDADLP COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653072394 453251140 /nfs/dbraw/zinc/25/11/40/453251140.db2.gz PXNPRMBCPUJKMO-DLBZAZTESA-N 2 2 349.475 1.482 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000653073743 453253378 /nfs/dbraw/zinc/25/33/78/453253378.db2.gz LIDFPYNBLFLQOX-HNNXBMFYSA-N 2 2 341.402 1.614 20 0 EDADLP CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653078555 453259347 /nfs/dbraw/zinc/25/93/47/453259347.db2.gz DITKENPRHSOWTF-PBHICJAKSA-N 2 2 348.491 1.293 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc[nH+]1 ZINC000664632401 453269941 /nfs/dbraw/zinc/26/99/41/453269941.db2.gz SIBFIQRSASYPMX-HOCLYGCPSA-N 2 2 327.432 1.956 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc[nH+]1 ZINC000664632401 453269949 /nfs/dbraw/zinc/26/99/49/453269949.db2.gz SIBFIQRSASYPMX-HOCLYGCPSA-N 2 2 327.432 1.956 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000653088182 453270174 /nfs/dbraw/zinc/27/01/74/453270174.db2.gz UGEBSSIJVUUZHA-KGLIPLIRSA-N 2 2 339.411 1.601 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(O[C@@H]2CCOC2)c1 ZINC000653099202 453281092 /nfs/dbraw/zinc/28/10/92/453281092.db2.gz IKLBQCXXBAJBNN-CVEARBPZSA-N 2 2 335.448 1.058 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000648798584 453283362 /nfs/dbraw/zinc/28/33/62/453283362.db2.gz OKNBNCLZXBLSFC-HOTGVXAUSA-N 2 2 334.464 1.720 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000660416104 453289826 /nfs/dbraw/zinc/28/98/26/453289826.db2.gz CUJPQFDXWLEEBL-UHFFFAOYSA-N 2 2 340.449 1.598 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000660416104 453289833 /nfs/dbraw/zinc/28/98/33/453289833.db2.gz CUJPQFDXWLEEBL-UHFFFAOYSA-N 2 2 340.449 1.598 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000653108276 453291393 /nfs/dbraw/zinc/29/13/93/453291393.db2.gz QEQAOWOVLSMHLN-GOSISDBHSA-N 3 2 332.492 1.089 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC(F)(F)C[NH3+])cc1F ZINC000653113251 453300447 /nfs/dbraw/zinc/30/04/47/453300447.db2.gz YBAIQZNTJJMYMJ-UHFFFAOYSA-N 2 2 326.322 1.920 20 0 EDADLP COc1cccc(N2CCC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)c1 ZINC000653119556 453308605 /nfs/dbraw/zinc/30/86/05/453308605.db2.gz OHOQWVDMJQARAC-PBHICJAKSA-N 2 2 334.464 1.059 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662586829 453313831 /nfs/dbraw/zinc/31/38/31/453313831.db2.gz OXHHGPKJNVEDHY-IEBWSBKVSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662586829 453313837 /nfs/dbraw/zinc/31/38/37/453313837.db2.gz OXHHGPKJNVEDHY-IEBWSBKVSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662590244 453317394 /nfs/dbraw/zinc/31/73/94/453317394.db2.gz PDQPLVYCPSVYMV-HNNXBMFYSA-N 2 2 340.431 1.514 20 0 EDADLP Cc1nc2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn2n1 ZINC000666999584 453321177 /nfs/dbraw/zinc/32/11/77/453321177.db2.gz AAMNIGLDJDRWLK-UHFFFAOYSA-N 2 2 333.440 1.043 20 0 EDADLP Cc1nc2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn2n1 ZINC000666999584 453321184 /nfs/dbraw/zinc/32/11/84/453321184.db2.gz AAMNIGLDJDRWLK-UHFFFAOYSA-N 2 2 333.440 1.043 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000653147811 453333547 /nfs/dbraw/zinc/33/35/47/453333547.db2.gz BCFORIZCYCRUJP-HNNXBMFYSA-N 2 2 339.867 1.989 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1 ZINC000662617558 453337151 /nfs/dbraw/zinc/33/71/51/453337151.db2.gz XCHWSJFAVBPJKU-UKRRQHHQSA-N 2 2 338.883 1.562 20 0 EDADLP CC(C)CNC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000660483731 453339669 /nfs/dbraw/zinc/33/96/69/453339669.db2.gz KORLKLQHXWLEHG-KRWDZBQOSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)CNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000660483731 453339677 /nfs/dbraw/zinc/33/96/77/453339677.db2.gz KORLKLQHXWLEHG-KRWDZBQOSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000651191061 453341423 /nfs/dbraw/zinc/34/14/23/453341423.db2.gz KVZGCHYZGCURKH-UHFFFAOYSA-N 2 2 333.480 1.891 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000651191061 453341427 /nfs/dbraw/zinc/34/14/27/453341427.db2.gz KVZGCHYZGCURKH-UHFFFAOYSA-N 2 2 333.480 1.891 20 0 EDADLP CO[C@H](C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H]1CCOC1 ZINC000656705794 453382105 /nfs/dbraw/zinc/38/21/05/453382105.db2.gz UJVYZAJQZPSZGA-TXPKVOOTSA-N 2 2 347.459 1.655 20 0 EDADLP c1[nH]nnc1CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660539314 453385757 /nfs/dbraw/zinc/38/57/57/453385757.db2.gz SUSMYGFCXXZEEN-LJQANCHMSA-N 2 2 340.475 1.239 20 0 EDADLP c1[nH]nnc1CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660539314 453385767 /nfs/dbraw/zinc/38/57/67/453385767.db2.gz SUSMYGFCXXZEEN-LJQANCHMSA-N 2 2 340.475 1.239 20 0 EDADLP c1n[nH]nc1CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660539314 453385773 /nfs/dbraw/zinc/38/57/73/453385773.db2.gz SUSMYGFCXXZEEN-LJQANCHMSA-N 2 2 340.475 1.239 20 0 EDADLP c1n[nH]nc1CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660539314 453385780 /nfs/dbraw/zinc/38/57/80/453385780.db2.gz SUSMYGFCXXZEEN-LJQANCHMSA-N 2 2 340.475 1.239 20 0 EDADLP [NH3+]C1(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000662671097 453387334 /nfs/dbraw/zinc/38/73/34/453387334.db2.gz LUHPAQWEYHVMDR-UHFFFAOYSA-N 2 2 330.432 1.087 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000646448515 453396794 /nfs/dbraw/zinc/39/67/94/453396794.db2.gz AUFCEFXADBBPBP-ROUUACIJSA-N 2 2 340.427 1.808 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000646448515 453396801 /nfs/dbraw/zinc/39/68/01/453396801.db2.gz AUFCEFXADBBPBP-ROUUACIJSA-N 2 2 340.427 1.808 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000662716578 453439159 /nfs/dbraw/zinc/43/91/59/453439159.db2.gz FCDJNDSNRGCPAB-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP [NH3+]CCC1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000653256581 453439795 /nfs/dbraw/zinc/43/97/95/453439795.db2.gz CSLTUXSQCZEOQX-UHFFFAOYSA-N 2 2 331.460 1.720 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3c(cnn3C(F)F)c2)[C@H](C[NH3+])C1 ZINC000667254040 453514581 /nfs/dbraw/zinc/51/45/81/453514581.db2.gz MUDMCJPOKNPEGT-GFCCVEGCSA-N 2 2 338.362 1.538 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(cnn3C(F)F)c2)[C@H](C[NH3+])C1 ZINC000667254040 453514589 /nfs/dbraw/zinc/51/45/89/453514589.db2.gz MUDMCJPOKNPEGT-GFCCVEGCSA-N 2 2 338.362 1.538 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000660697726 453522231 /nfs/dbraw/zinc/52/22/31/453522231.db2.gz JKPDQPZWUDTFHV-UHFFFAOYSA-N 2 2 347.463 1.648 20 0 EDADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000662799011 453533253 /nfs/dbraw/zinc/53/32/53/453533253.db2.gz HSYZJIVTKYKOGJ-RHSMWYFYSA-N 2 2 338.411 1.904 20 0 EDADLP CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000667293943 453540979 /nfs/dbraw/zinc/54/09/79/453540979.db2.gz UATVAZFHLQXIEW-SFHVURJKSA-N 2 2 347.507 1.006 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000658987590 453567703 /nfs/dbraw/zinc/56/77/03/453567703.db2.gz LAQXRSRFPSZTCN-UHFFFAOYSA-N 2 2 330.432 1.474 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850080 453571108 /nfs/dbraw/zinc/57/11/08/453571108.db2.gz MVJUDYNXNPXJLY-MKXGPGLRSA-N 2 2 343.471 1.486 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850080 453571112 /nfs/dbraw/zinc/57/11/12/453571112.db2.gz MVJUDYNXNPXJLY-MKXGPGLRSA-N 2 2 343.471 1.486 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899094 453593286 /nfs/dbraw/zinc/59/32/86/453593286.db2.gz BDGXCMIIVWDQSP-JENIJYKNSA-N 3 2 336.524 1.521 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899094 453593289 /nfs/dbraw/zinc/59/32/89/453593289.db2.gz BDGXCMIIVWDQSP-JENIJYKNSA-N 3 2 336.524 1.521 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662902365 453595704 /nfs/dbraw/zinc/59/57/04/453595704.db2.gz NJRJECPUCYBFJE-CHWSQXEVSA-N 2 2 331.424 1.300 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662902366 453595946 /nfs/dbraw/zinc/59/59/46/453595946.db2.gz NJRJECPUCYBFJE-OLZOCXBDSA-N 2 2 331.424 1.300 20 0 EDADLP COc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(OC)c1 ZINC000665175391 453601248 /nfs/dbraw/zinc/60/12/48/453601248.db2.gz MJQGNPOEZADNFX-UHFFFAOYSA-N 2 2 338.452 1.709 20 0 EDADLP COc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(OC)c1 ZINC000665175391 453601251 /nfs/dbraw/zinc/60/12/51/453601251.db2.gz MJQGNPOEZADNFX-UHFFFAOYSA-N 2 2 338.452 1.709 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000660847721 453605484 /nfs/dbraw/zinc/60/54/84/453605484.db2.gz SAEKVMZUMZQTMQ-OAHLLOKOSA-N 2 2 331.464 1.823 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000660847721 453605487 /nfs/dbraw/zinc/60/54/87/453605487.db2.gz SAEKVMZUMZQTMQ-OAHLLOKOSA-N 2 2 331.464 1.823 20 0 EDADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)CCCO2 ZINC000665291896 453638187 /nfs/dbraw/zinc/63/81/87/453638187.db2.gz NNCUGMYZWIOBAD-CQSZACIVSA-N 2 2 330.388 1.653 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCc4ccccc4O3)C2)CC1 ZINC000665295192 453640762 /nfs/dbraw/zinc/64/07/62/453640762.db2.gz ZVSVGHSVTGKEFR-QFBILLFUSA-N 2 2 343.471 1.665 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCc4ccccc4O3)C2)CC1 ZINC000665295192 453640764 /nfs/dbraw/zinc/64/07/64/453640764.db2.gz ZVSVGHSVTGKEFR-QFBILLFUSA-N 2 2 343.471 1.665 20 0 EDADLP CN(C(=O)c1cc2cccnc2[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665368103 453669641 /nfs/dbraw/zinc/66/96/41/453669641.db2.gz KQYHWGNABNHXQC-INIZCTEOSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1cc2cccnc2[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665368103 453669646 /nfs/dbraw/zinc/66/96/46/453669646.db2.gz KQYHWGNABNHXQC-INIZCTEOSA-N 2 2 341.459 1.803 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000665535346 453734790 /nfs/dbraw/zinc/73/47/90/453734790.db2.gz QRSGZCDUOCKYQE-JKSUJKDBSA-N 2 2 326.444 1.804 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000665535346 453734794 /nfs/dbraw/zinc/73/47/94/453734794.db2.gz QRSGZCDUOCKYQE-JKSUJKDBSA-N 2 2 326.444 1.804 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000665574241 453754725 /nfs/dbraw/zinc/75/47/25/453754725.db2.gz KJUDDBQBZRNTEN-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000665574241 453754730 /nfs/dbraw/zinc/75/47/30/453754730.db2.gz KJUDDBQBZRNTEN-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C[NH+]1CCOCC1 ZINC000657369920 453775899 /nfs/dbraw/zinc/77/58/99/453775899.db2.gz IVAOENQWOTVRMN-QFBILLFUSA-N 2 2 334.460 1.912 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1C ZINC000657370750 453776171 /nfs/dbraw/zinc/77/61/71/453776171.db2.gz PRKDQFJHGWGKJA-PKOBYXMFSA-N 2 2 328.460 1.701 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21)C1CC1 ZINC000663381086 453784796 /nfs/dbraw/zinc/78/47/96/453784796.db2.gz ZHJLRIKKAJWTPP-IAGOWNOFSA-N 2 2 326.444 1.904 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21)C1CC1 ZINC000663381086 453784798 /nfs/dbraw/zinc/78/47/98/453784798.db2.gz ZHJLRIKKAJWTPP-IAGOWNOFSA-N 2 2 326.444 1.904 20 0 EDADLP CN(C(=O)[C@@H]1CCCCS1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679985302 486689900 /nfs/dbraw/zinc/68/99/00/486689900.db2.gz WSTYFYUSVGQSPM-HOTGVXAUSA-N 2 2 325.522 1.899 20 0 EDADLP CN(C(=O)[C@@H]1CCCCS1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679985302 486689906 /nfs/dbraw/zinc/68/99/06/486689906.db2.gz WSTYFYUSVGQSPM-HOTGVXAUSA-N 2 2 325.522 1.899 20 0 EDADLP C[C@@H]1COCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683380664 486701701 /nfs/dbraw/zinc/70/17/01/486701701.db2.gz MLYKDMPYGFJMNS-HYVNUMGLSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1COCC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683380664 486701703 /nfs/dbraw/zinc/70/17/03/486701703.db2.gz MLYKDMPYGFJMNS-HYVNUMGLSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000672454270 486712825 /nfs/dbraw/zinc/71/28/25/486712825.db2.gz XPPUTUKZXNDLBY-BRWVUGGUSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000672454270 486712830 /nfs/dbraw/zinc/71/28/30/486712830.db2.gz XPPUTUKZXNDLBY-BRWVUGGUSA-N 2 2 338.496 1.221 20 0 EDADLP COCC[NH2+]CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000414880424 486732722 /nfs/dbraw/zinc/73/27/22/486732722.db2.gz IZLDIUVLOUVZPM-UHFFFAOYSA-N 2 2 331.210 1.503 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672687887 486761935 /nfs/dbraw/zinc/76/19/35/486761935.db2.gz BQVNDKPXDUFOCQ-UHFFFAOYSA-N 2 2 338.402 1.707 20 0 EDADLP C[NH2+]CCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416977747 486790383 /nfs/dbraw/zinc/79/03/83/486790383.db2.gz BMIAQWSZXFMMFT-ZIAGYGMSSA-N 2 2 335.452 1.056 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)CCCn3cc[nH+]c3)nc2)C1 ZINC000676516692 486792895 /nfs/dbraw/zinc/79/28/95/486792895.db2.gz IOHDQCOFMJFNSE-MRXNPFEDSA-N 2 2 342.447 1.837 20 0 EDADLP COc1cc(NC(=O)NCc2c[nH+]cn2C)ccc1OCC[NH+](C)C ZINC000417680820 486805748 /nfs/dbraw/zinc/80/57/48/486805748.db2.gz JGAFQNXZFARQJL-UHFFFAOYSA-N 2 2 347.419 1.691 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[NH+]1CCSCC1 ZINC000670392671 486891838 /nfs/dbraw/zinc/89/18/38/486891838.db2.gz GABUFRLAOWJEGF-HZPDHXFCSA-N 2 2 341.521 1.137 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc4n3CCC4)CC2)CC1 ZINC000667641359 486894261 /nfs/dbraw/zinc/89/42/61/486894261.db2.gz QOALUXLXLYFAPM-UHFFFAOYSA-N 2 2 331.464 1.118 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676843219 486900885 /nfs/dbraw/zinc/90/08/85/486900885.db2.gz PRQVDNPTZOIRKM-WBVHZDCISA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676843219 486900889 /nfs/dbraw/zinc/90/08/89/486900889.db2.gz PRQVDNPTZOIRKM-WBVHZDCISA-N 2 2 345.491 1.072 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000673146739 486925967 /nfs/dbraw/zinc/92/59/67/486925967.db2.gz YVMMEOHBEDNJSQ-HOCLYGCPSA-N 2 2 331.464 1.999 20 0 EDADLP Clc1cnc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000681134375 486948377 /nfs/dbraw/zinc/94/83/77/486948377.db2.gz XCOYDFOBWGQSTC-LBPRGKRZSA-N 2 2 330.885 1.293 20 0 EDADLP CO[C@H](C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214564 486974546 /nfs/dbraw/zinc/97/45/46/486974546.db2.gz JMOXSIYKLUSXOP-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP CO[C@H](C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214564 486974550 /nfs/dbraw/zinc/97/45/50/486974550.db2.gz JMOXSIYKLUSXOP-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP CO[C@@H](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214566 486975804 /nfs/dbraw/zinc/97/58/04/486975804.db2.gz JMOXSIYKLUSXOP-HOCLYGCPSA-N 2 2 326.485 1.221 20 0 EDADLP CO[C@@H](C)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214566 486975807 /nfs/dbraw/zinc/97/58/07/486975807.db2.gz JMOXSIYKLUSXOP-HOCLYGCPSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667812555 486977673 /nfs/dbraw/zinc/97/76/73/486977673.db2.gz PYMMXJHWGZGVJQ-HZPDHXFCSA-N 3 2 347.507 1.389 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667812555 486977679 /nfs/dbraw/zinc/97/76/79/486977679.db2.gz PYMMXJHWGZGVJQ-HZPDHXFCSA-N 3 2 347.507 1.389 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667812555 486977684 /nfs/dbraw/zinc/97/76/84/486977684.db2.gz PYMMXJHWGZGVJQ-HZPDHXFCSA-N 3 2 347.507 1.389 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667812555 486977691 /nfs/dbraw/zinc/97/76/91/486977691.db2.gz PYMMXJHWGZGVJQ-HZPDHXFCSA-N 3 2 347.507 1.389 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)c1 ZINC000684194318 486978914 /nfs/dbraw/zinc/97/89/14/486978914.db2.gz GAFNOYSKYRUANN-CQSZACIVSA-N 2 2 328.420 1.151 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000677182187 486998573 /nfs/dbraw/zinc/99/85/73/486998573.db2.gz DGHZZHPWZGOYKV-QGZVFWFLSA-N 2 2 344.503 1.600 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000677182187 486998579 /nfs/dbraw/zinc/99/85/79/486998579.db2.gz DGHZZHPWZGOYKV-QGZVFWFLSA-N 2 2 344.503 1.600 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@H]1C ZINC000677216228 487010780 /nfs/dbraw/zinc/01/07/80/487010780.db2.gz DKRYLEGOOVPCED-APWZRJJASA-N 2 2 345.487 1.737 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@H]1C ZINC000677216228 487010783 /nfs/dbraw/zinc/01/07/83/487010783.db2.gz DKRYLEGOOVPCED-APWZRJJASA-N 2 2 345.487 1.737 20 0 EDADLP Cc1ccccc1-n1cc(C[NH2+]CCCCN2CC[NH+](C)CC2)nn1 ZINC000673599908 487068019 /nfs/dbraw/zinc/06/80/19/487068019.db2.gz BCJVVNBCIUIZEB-UHFFFAOYSA-N 2 2 342.491 1.693 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2[nH+]1 ZINC000668153568 487121349 /nfs/dbraw/zinc/12/13/49/487121349.db2.gz SHBBHPVKADMXEY-JKSUJKDBSA-N 2 2 343.431 1.706 20 0 EDADLP Cc1[nH+]cc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)n1C ZINC000668155205 487122390 /nfs/dbraw/zinc/12/23/90/487122390.db2.gz HSFBWZKPSWKVQC-UHFFFAOYSA-N 2 2 343.475 1.848 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2cc(-n3cc[nH+]c3)ncn2)C[C@H](C)O1 ZINC000681669983 487127024 /nfs/dbraw/zinc/12/70/24/487127024.db2.gz BFDSLRSWAKOPBF-XHSDSOJGSA-N 2 2 342.447 1.740 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2cc(-n3cc[nH+]c3)ncn2)C[C@H](C)O1 ZINC000681669983 487127026 /nfs/dbraw/zinc/12/70/26/487127026.db2.gz BFDSLRSWAKOPBF-XHSDSOJGSA-N 2 2 342.447 1.740 20 0 EDADLP C[C@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C[NH+]1CCOCC1 ZINC000673861650 487137089 /nfs/dbraw/zinc/13/70/89/487137089.db2.gz KAJSSOWVCZTLEK-CQSZACIVSA-N 2 2 344.419 1.357 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678051704 487234326 /nfs/dbraw/zinc/23/43/26/487234326.db2.gz RHZSHDWJKPJQJA-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678051704 487234331 /nfs/dbraw/zinc/23/43/31/487234331.db2.gz RHZSHDWJKPJQJA-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H](CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[NH+]1CCCC1 ZINC000685605242 487301803 /nfs/dbraw/zinc/30/18/03/487301803.db2.gz NPEJJQXXSZEEDY-OAHLLOKOSA-N 2 2 332.448 1.128 20 0 EDADLP CC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H](C)C1 ZINC000685781529 487322845 /nfs/dbraw/zinc/32/28/45/487322845.db2.gz SADFSKKQEUXPMM-YJBOKZPZSA-N 2 2 326.444 1.930 20 0 EDADLP CC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@@H](C)C1 ZINC000685781529 487322847 /nfs/dbraw/zinc/32/28/47/487322847.db2.gz SADFSKKQEUXPMM-YJBOKZPZSA-N 2 2 326.444 1.930 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c(C)[nH+]1 ZINC000682290212 487340573 /nfs/dbraw/zinc/34/05/73/487340573.db2.gz QVKYJQJGPPTEHN-UHFFFAOYSA-N 2 2 330.432 1.724 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000678762365 487361071 /nfs/dbraw/zinc/36/10/71/487361071.db2.gz GQGVJHVCBRJEOP-UHFFFAOYSA-N 2 2 331.420 1.645 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000678762365 487361073 /nfs/dbraw/zinc/36/10/73/487361073.db2.gz GQGVJHVCBRJEOP-UHFFFAOYSA-N 2 2 331.420 1.645 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682494520 487375536 /nfs/dbraw/zinc/37/55/36/487375536.db2.gz WHDPZQHSVAIWOI-HNNXBMFYSA-N 2 2 327.432 1.431 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682514814 487379658 /nfs/dbraw/zinc/37/96/58/487379658.db2.gz ISJIJGJSXHSDSG-KLHDSHLOSA-N 2 2 332.448 1.156 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC000675235723 487391954 /nfs/dbraw/zinc/39/19/54/487391954.db2.gz UCZLCOQOZKTWGR-LSDHHAIUSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC000675235723 487391955 /nfs/dbraw/zinc/39/19/55/487391955.db2.gz UCZLCOQOZKTWGR-LSDHHAIUSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000675235723 487391957 /nfs/dbraw/zinc/39/19/57/487391957.db2.gz UCZLCOQOZKTWGR-LSDHHAIUSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000675235723 487391959 /nfs/dbraw/zinc/39/19/59/487391959.db2.gz UCZLCOQOZKTWGR-LSDHHAIUSA-N 2 2 334.464 1.782 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)o1 ZINC000679315801 487412787 /nfs/dbraw/zinc/41/27/87/487412787.db2.gz JBFBHNGMVNAVIJ-UHFFFAOYSA-N 2 2 337.464 1.650 20 0 EDADLP CCOc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nc1 ZINC000679422350 487424525 /nfs/dbraw/zinc/42/45/25/487424525.db2.gz SNIAFOMWTLARHU-UHFFFAOYSA-N 2 2 335.448 1.139 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)CC2)c1 ZINC000668284062 485566429 /nfs/dbraw/zinc/56/64/29/485566429.db2.gz ATZXOEKOTUNOEN-ZDUSSCGKSA-N 2 2 341.415 1.267 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)CC2)c1 ZINC000668284062 485566435 /nfs/dbraw/zinc/56/64/35/485566435.db2.gz ATZXOEKOTUNOEN-ZDUSSCGKSA-N 2 2 341.415 1.267 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000324595702 485577606 /nfs/dbraw/zinc/57/76/06/485577606.db2.gz FTBFFCFAUWWQFO-FUHWJXTLSA-N 2 2 331.460 1.646 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000324595702 485577611 /nfs/dbraw/zinc/57/76/11/485577611.db2.gz FTBFFCFAUWWQFO-FUHWJXTLSA-N 2 2 331.460 1.646 20 0 EDADLP CC[NH+]1CCC(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000669623871 485863964 /nfs/dbraw/zinc/86/39/64/485863964.db2.gz XGWWUKFSYDVBTH-UHFFFAOYSA-N 2 2 348.472 1.694 20 0 EDADLP CCC[C@@](C)(CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674760875 485890366 /nfs/dbraw/zinc/89/03/66/485890366.db2.gz OWRVQDMAWYTFTQ-YOEHRIQHSA-N 2 2 326.485 1.005 20 0 EDADLP CCC[C@@](C)(CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674760875 485890372 /nfs/dbraw/zinc/89/03/72/485890372.db2.gz OWRVQDMAWYTFTQ-YOEHRIQHSA-N 2 2 326.485 1.005 20 0 EDADLP CN(C(=O)c1onc2c1CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618709 485959818 /nfs/dbraw/zinc/95/98/18/485959818.db2.gz UDCINOHTBFQRPX-OAHLLOKOSA-N 2 2 346.475 1.794 20 0 EDADLP CN(C(=O)c1onc2c1CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618709 485959821 /nfs/dbraw/zinc/95/98/21/485959821.db2.gz UDCINOHTBFQRPX-OAHLLOKOSA-N 2 2 346.475 1.794 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NC1CC[NH2+]CC1 ZINC000669366387 486013330 /nfs/dbraw/zinc/01/33/30/486013330.db2.gz FUHOMFZTAIMHQT-KRWDZBQOSA-N 2 2 332.448 1.111 20 0 EDADLP CCc1ccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000668688445 486048945 /nfs/dbraw/zinc/04/89/45/486048945.db2.gz OCPUTBVCPLPXHF-UHFFFAOYSA-N 2 2 332.492 1.671 20 0 EDADLP CCc1ccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000668688445 486048949 /nfs/dbraw/zinc/04/89/49/486048949.db2.gz OCPUTBVCPLPXHF-UHFFFAOYSA-N 2 2 332.492 1.671 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000668758960 486159477 /nfs/dbraw/zinc/15/94/77/486159477.db2.gz OWDCYKLZZKMBKU-AQNXPRMDSA-N 2 2 329.488 1.960 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000668758960 486159482 /nfs/dbraw/zinc/15/94/82/486159482.db2.gz OWDCYKLZZKMBKU-AQNXPRMDSA-N 2 2 329.488 1.960 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000668873857 486285919 /nfs/dbraw/zinc/28/59/19/486285919.db2.gz IPXTWYVQMAFMJZ-USXIJHARSA-N 2 2 339.443 1.903 20 0 EDADLP C[NH+](C)C1CC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000670402939 486446967 /nfs/dbraw/zinc/44/69/67/486446967.db2.gz UXBREAFWWOXGTL-JCYILVPMSA-N 2 2 333.501 1.985 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000669832150 486469521 /nfs/dbraw/zinc/46/95/21/486469521.db2.gz CLHONUAMKUJWFJ-MFNRNEDNSA-N 2 2 337.489 1.177 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000669832150 486469528 /nfs/dbraw/zinc/46/95/28/486469528.db2.gz CLHONUAMKUJWFJ-MFNRNEDNSA-N 2 2 337.489 1.177 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(NS(C)(=O)=O)C2)C1 ZINC000669832199 486469612 /nfs/dbraw/zinc/46/96/12/486469612.db2.gz KHXTZWYLENELHG-PMRDFSHISA-N 2 2 337.489 1.492 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(NS(C)(=O)=O)C2)C1 ZINC000669832199 486469617 /nfs/dbraw/zinc/46/96/17/486469617.db2.gz KHXTZWYLENELHG-PMRDFSHISA-N 2 2 337.489 1.492 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669209994 491186985 /nfs/dbraw/zinc/18/69/85/491186985.db2.gz CXUVYZJFJLFQLN-QZTJIDSGSA-N 2 2 339.443 1.825 20 0 EDADLP Cc1c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cnn1C ZINC000154353689 533752459 /nfs/dbraw/zinc/75/24/59/533752459.db2.gz VMAAPWYPPIPOBO-XYPWUTKMSA-N 2 2 331.464 1.112 20 0 EDADLP Cc1c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cnn1C ZINC000154353689 533752464 /nfs/dbraw/zinc/75/24/64/533752464.db2.gz VMAAPWYPPIPOBO-XYPWUTKMSA-N 2 2 331.464 1.112 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000173806123 534096143 /nfs/dbraw/zinc/09/61/43/534096143.db2.gz ZGNLUASPLNHJKE-HOCLYGCPSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000173806123 534096153 /nfs/dbraw/zinc/09/61/53/534096153.db2.gz ZGNLUASPLNHJKE-HOCLYGCPSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H](C)O1 ZINC000177917909 534467117 /nfs/dbraw/zinc/46/71/17/534467117.db2.gz HVHPTEJLKAILNZ-HUUCEWRRSA-N 2 2 345.447 1.633 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)c[nH+]1 ZINC000188714894 520903858 /nfs/dbraw/zinc/90/38/58/520903858.db2.gz JUGVRRKEQNDEAU-UHFFFAOYSA-N 2 2 328.420 1.227 20 0 EDADLP Nc1nc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)nc2ccccc12 ZINC000131814717 534745893 /nfs/dbraw/zinc/74/58/93/534745893.db2.gz BHNOOWWYARRYFP-UHFFFAOYSA-N 2 2 337.431 1.226 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153940721 528048905 /nfs/dbraw/zinc/04/89/05/528048905.db2.gz SFUPZXSYFMJDGA-FGTMMUONSA-N 2 2 338.540 1.734 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153940721 528048909 /nfs/dbraw/zinc/04/89/09/528048909.db2.gz SFUPZXSYFMJDGA-FGTMMUONSA-N 2 2 338.540 1.734 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000174546801 528250936 /nfs/dbraw/zinc/25/09/36/528250936.db2.gz NBMZACRBDMXHAJ-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000174546801 528250939 /nfs/dbraw/zinc/25/09/39/528250939.db2.gz NBMZACRBDMXHAJ-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000158577319 528457729 /nfs/dbraw/zinc/45/77/29/528457729.db2.gz MWRRILCXMOYYPZ-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000159050767 528997298 /nfs/dbraw/zinc/99/72/98/528997298.db2.gz ALKSQAPMEWESKW-UHFFFAOYSA-N 2 2 345.491 1.782 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(=O)OC)c(F)c3)C2)CC1 ZINC000154106624 529152690 /nfs/dbraw/zinc/15/26/90/529152690.db2.gz HXQRSYZPBVQRDD-INIZCTEOSA-N 2 2 349.450 1.824 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(=O)OC)c(F)c3)C2)CC1 ZINC000154106624 529152691 /nfs/dbraw/zinc/15/26/91/529152691.db2.gz HXQRSYZPBVQRDD-INIZCTEOSA-N 2 2 349.450 1.824 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000236687992 534934904 /nfs/dbraw/zinc/93/49/04/534934904.db2.gz VQMRAAZDFXFRMG-CQSZACIVSA-N 2 2 334.464 1.688 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000263261706 535053625 /nfs/dbraw/zinc/05/36/25/535053625.db2.gz SVZNYWWGNISRLD-HNNXBMFYSA-N 2 2 329.404 1.125 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)C(C)C ZINC000345671077 535069409 /nfs/dbraw/zinc/06/94/09/535069409.db2.gz VKKGYZCMWKGKKN-HZPDHXFCSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)C(C)C ZINC000345671077 535069412 /nfs/dbraw/zinc/06/94/12/535069412.db2.gz VKKGYZCMWKGKKN-HZPDHXFCSA-N 2 2 326.485 1.220 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)[NH+]1CCCC1 ZINC000339711548 535102206 /nfs/dbraw/zinc/10/22/06/535102206.db2.gz VBMXRBUKAOPJFU-MRXNPFEDSA-N 2 2 349.479 1.016 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000262720457 535525372 /nfs/dbraw/zinc/52/53/72/535525372.db2.gz ZEUDYINVNDJRNM-QFBILLFUSA-N 2 2 349.475 1.088 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000352727974 535561190 /nfs/dbraw/zinc/56/11/90/535561190.db2.gz HFZJGILNXLVURK-UHFFFAOYSA-N 2 2 339.505 1.474 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000352727974 535561193 /nfs/dbraw/zinc/56/11/93/535561193.db2.gz HFZJGILNXLVURK-UHFFFAOYSA-N 2 2 339.505 1.474 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236947169 535705462 /nfs/dbraw/zinc/70/54/62/535705462.db2.gz PJJVJMZWXYCUCZ-QFBILLFUSA-N 2 2 344.503 1.091 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236947169 535705469 /nfs/dbraw/zinc/70/54/69/535705469.db2.gz PJJVJMZWXYCUCZ-QFBILLFUSA-N 2 2 344.503 1.091 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000237049805 535844852 /nfs/dbraw/zinc/84/48/52/535844852.db2.gz ZGBWHNPDTHXZLR-KBXCAEBGSA-N 2 2 349.475 1.721 20 0 EDADLP CCc1nnc([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000353331762 535857332 /nfs/dbraw/zinc/85/73/32/535857332.db2.gz UHTYXNASPXBIJV-JZWPEALZSA-N 2 2 333.480 1.936 20 0 EDADLP CCc1nnc([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000353331762 535857334 /nfs/dbraw/zinc/85/73/34/535857334.db2.gz UHTYXNASPXBIJV-JZWPEALZSA-N 2 2 333.480 1.936 20 0 EDADLP CC[C@]1(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CC[NH2+]C1 ZINC000119758774 535879283 /nfs/dbraw/zinc/87/92/83/535879283.db2.gz RTPABCSWTCSVHR-SFHVURJKSA-N 2 2 333.480 1.071 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000345251453 536051930 /nfs/dbraw/zinc/05/19/30/536051930.db2.gz FCBZNVRWUOWVME-IAGOWNOFSA-N 2 2 347.507 1.810 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000345251453 536051935 /nfs/dbraw/zinc/05/19/35/536051935.db2.gz FCBZNVRWUOWVME-IAGOWNOFSA-N 2 2 347.507 1.810 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)s1 ZINC000347862458 536055552 /nfs/dbraw/zinc/05/55/52/536055552.db2.gz KLQAHJUGSFQJBN-NSHDSACASA-N 2 2 348.476 1.406 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)s1 ZINC000347862458 536055558 /nfs/dbraw/zinc/05/55/58/536055558.db2.gz KLQAHJUGSFQJBN-NSHDSACASA-N 2 2 348.476 1.406 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1nccn1Cc1ccccc1 ZINC000261956519 536304011 /nfs/dbraw/zinc/30/40/11/536304011.db2.gz AFNBAECDLKGJIK-UHFFFAOYSA-N 2 2 341.459 1.185 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1nccn1Cc1ccccc1 ZINC000261956519 536304014 /nfs/dbraw/zinc/30/40/14/536304014.db2.gz AFNBAECDLKGJIK-UHFFFAOYSA-N 2 2 341.459 1.185 20 0 EDADLP C[NH2+][C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000262505807 536380405 /nfs/dbraw/zinc/38/04/05/536380405.db2.gz JCSPIYKPTCMLKP-KRWDZBQOSA-N 2 2 327.432 1.025 20 0 EDADLP C[NH2+][C@H](C(=O)N1CC[NH+](Cc2ccccc2C)CC1)c1cnn(C)c1 ZINC000262354235 536380458 /nfs/dbraw/zinc/38/04/58/536380458.db2.gz JMTSDEPWPKNUKH-SFHVURJKSA-N 2 2 341.459 1.333 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cn2)CC1 ZINC000271210759 536425654 /nfs/dbraw/zinc/42/56/54/536425654.db2.gz VENKJIQOOPUNMZ-UHFFFAOYSA-N 3 2 341.463 1.331 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4ncc[nH]4)CC3)cn2)CC1 ZINC000271210759 536425658 /nfs/dbraw/zinc/42/56/58/536425658.db2.gz VENKJIQOOPUNMZ-UHFFFAOYSA-N 2 2 341.463 1.331 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245550575 536445251 /nfs/dbraw/zinc/44/52/51/536445251.db2.gz ORHXNXHANIKGDP-HOTGVXAUSA-N 2 2 331.464 1.644 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245550575 536445253 /nfs/dbraw/zinc/44/52/53/536445253.db2.gz ORHXNXHANIKGDP-HOTGVXAUSA-N 2 2 331.464 1.644 20 0 EDADLP COC(=O)[C@H](C1CC1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352705340 536644143 /nfs/dbraw/zinc/64/41/43/536644143.db2.gz OOTXWTXFYPACDU-IBGZPJMESA-N 2 2 345.487 1.688 20 0 EDADLP COC(=O)[C@H](C1CC1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352705340 536644149 /nfs/dbraw/zinc/64/41/49/536644149.db2.gz OOTXWTXFYPACDU-IBGZPJMESA-N 2 2 345.487 1.688 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]1C ZINC000740882549 579388026 /nfs/dbraw/zinc/38/80/26/579388026.db2.gz JMBXFGSBDYUCGC-JKSUJKDBSA-N 2 2 339.480 1.157 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]1C ZINC000740882549 579388027 /nfs/dbraw/zinc/38/80/27/579388027.db2.gz JMBXFGSBDYUCGC-JKSUJKDBSA-N 2 2 339.480 1.157 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]1C ZINC000740882549 579388028 /nfs/dbraw/zinc/38/80/28/579388028.db2.gz JMBXFGSBDYUCGC-JKSUJKDBSA-N 2 2 339.480 1.157 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]1C ZINC000740882549 579388029 /nfs/dbraw/zinc/38/80/29/579388029.db2.gz JMBXFGSBDYUCGC-JKSUJKDBSA-N 2 2 339.480 1.157 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCS(N)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000740878483 579388086 /nfs/dbraw/zinc/38/80/86/579388086.db2.gz ILEGMORSHLFNND-GOEBONIOSA-N 2 2 325.478 1.260 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCS(N)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000740878483 579388088 /nfs/dbraw/zinc/38/80/88/579388088.db2.gz ILEGMORSHLFNND-GOEBONIOSA-N 2 2 325.478 1.260 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCS(N)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000740878483 579388089 /nfs/dbraw/zinc/38/80/89/579388089.db2.gz ILEGMORSHLFNND-GOEBONIOSA-N 2 2 325.478 1.260 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCS(N)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000740878483 579388090 /nfs/dbraw/zinc/38/80/90/579388090.db2.gz ILEGMORSHLFNND-GOEBONIOSA-N 2 2 325.478 1.260 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCC[C@@H]2C)CCO1 ZINC000726258967 578340068 /nfs/dbraw/zinc/34/00/68/578340068.db2.gz ZCCKVZZTPCUIPK-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCC[C@@H]2C)CCO1 ZINC000726258967 578340069 /nfs/dbraw/zinc/34/00/69/578340069.db2.gz ZCCKVZZTPCUIPK-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000726258967 578340070 /nfs/dbraw/zinc/34/00/70/578340070.db2.gz ZCCKVZZTPCUIPK-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000726258967 578340071 /nfs/dbraw/zinc/34/00/71/578340071.db2.gz ZCCKVZZTPCUIPK-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C[C@@H](O)c2ccccc2F)nc[nH+]1 ZINC000729920247 578599485 /nfs/dbraw/zinc/59/94/85/578599485.db2.gz LNEPYXSAGCSHRQ-XJKSGUPXSA-N 2 2 345.422 1.949 20 0 EDADLP Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000729929927 578602644 /nfs/dbraw/zinc/60/26/44/578602644.db2.gz CLXXJPZUPMWZAO-KGLIPLIRSA-N 2 2 326.872 1.976 20 0 EDADLP Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000729929927 578602645 /nfs/dbraw/zinc/60/26/45/578602645.db2.gz CLXXJPZUPMWZAO-KGLIPLIRSA-N 2 2 326.872 1.976 20 0 EDADLP C[NH+]1CCC(CNC(=S)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000760467635 580031434 /nfs/dbraw/zinc/03/14/34/580031434.db2.gz XGKVEDAOTFOTFM-UHFFFAOYSA-N 2 2 347.532 1.988 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736143882 578957308 /nfs/dbraw/zinc/95/73/08/578957308.db2.gz LTGOXAGKYPWHFT-CYBMUJFWSA-N 2 2 330.436 1.144 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736143882 578957309 /nfs/dbraw/zinc/95/73/09/578957309.db2.gz LTGOXAGKYPWHFT-CYBMUJFWSA-N 2 2 330.436 1.144 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000745092324 579538097 /nfs/dbraw/zinc/53/80/97/579538097.db2.gz XCNLMKMWYLFUHC-MRXNPFEDSA-N 2 2 337.464 1.147 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000745092324 579538099 /nfs/dbraw/zinc/53/80/99/579538099.db2.gz XCNLMKMWYLFUHC-MRXNPFEDSA-N 2 2 337.464 1.147 20 0 EDADLP CCCCC[C@@H](O)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746252726 579582176 /nfs/dbraw/zinc/58/21/76/579582176.db2.gz GTSQUJPAVWAVKA-ZWKOTPCHSA-N 2 2 339.524 1.945 20 0 EDADLP CCCCC[C@@H](O)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746252726 579582178 /nfs/dbraw/zinc/58/21/78/579582178.db2.gz GTSQUJPAVWAVKA-ZWKOTPCHSA-N 2 2 339.524 1.945 20 0 EDADLP O=C(CC[NH+]1CCOCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000751397666 579804720 /nfs/dbraw/zinc/80/47/20/579804720.db2.gz UPUWLPZPGOTWGA-UHFFFAOYSA-N 2 2 349.500 1.896 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754113125 579896871 /nfs/dbraw/zinc/89/68/71/579896871.db2.gz NBZLJBLEYAZLCK-CYBMUJFWSA-N 2 2 341.525 1.535 20 0 EDADLP CN(C(=O)c1csc(C=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000755009697 579918064 /nfs/dbraw/zinc/91/80/64/579918064.db2.gz WPCMVJYOSGGAAM-HNNXBMFYSA-N 2 2 335.473 1.801 20 0 EDADLP CN(C(=O)c1csc(C=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000755009697 579918065 /nfs/dbraw/zinc/91/80/65/579918065.db2.gz WPCMVJYOSGGAAM-HNNXBMFYSA-N 2 2 335.473 1.801 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc4nsnc43)CC2)C1 ZINC000766893720 580176434 /nfs/dbraw/zinc/17/64/34/580176434.db2.gz MBMSTFVKGGXUOP-HNNXBMFYSA-N 2 2 331.489 1.903 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc4nsnc43)CC2)C1 ZINC000766893720 580176435 /nfs/dbraw/zinc/17/64/35/580176435.db2.gz MBMSTFVKGGXUOP-HNNXBMFYSA-N 2 2 331.489 1.903 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)C(=O)N(C3CCCC3)C2=O)C1 ZINC000768503440 580214856 /nfs/dbraw/zinc/21/48/56/580214856.db2.gz RZSKNJNLAMSKNQ-DZGCQCFKSA-N 2 2 348.447 1.093 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)C(=O)N(C3CCCC3)C2=O)C1 ZINC000768503440 580214857 /nfs/dbraw/zinc/21/48/57/580214857.db2.gz RZSKNJNLAMSKNQ-DZGCQCFKSA-N 2 2 348.447 1.093 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C(=O)C(=O)N(C3CCCC3)C2=O)C1 ZINC000768503440 580214858 /nfs/dbraw/zinc/21/48/58/580214858.db2.gz RZSKNJNLAMSKNQ-DZGCQCFKSA-N 2 2 348.447 1.093 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C(=O)C(=O)N(C3CCCC3)C2=O)C1 ZINC000768503440 580214859 /nfs/dbraw/zinc/21/48/59/580214859.db2.gz RZSKNJNLAMSKNQ-DZGCQCFKSA-N 2 2 348.447 1.093 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000772611534 580316747 /nfs/dbraw/zinc/31/67/47/580316747.db2.gz YTZDXKWDHOIZNX-HZPDHXFCSA-N 2 2 342.443 1.714 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000772611534 580316748 /nfs/dbraw/zinc/31/67/48/580316748.db2.gz YTZDXKWDHOIZNX-HZPDHXFCSA-N 2 2 342.443 1.714 20 0 EDADLP COC(=O)c1ccc2c(c1)C(=O)N(C[N@H+](C)CCCn1cc[nH+]c1)C2 ZINC000776765335 580428224 /nfs/dbraw/zinc/42/82/24/580428224.db2.gz YKIOYEYTDHONFC-UHFFFAOYSA-N 2 2 342.399 1.605 20 0 EDADLP COC(=O)c1ccc2c(c1)C(=O)N(C[N@@H+](C)CCCn1cc[nH+]c1)C2 ZINC000776765335 580428225 /nfs/dbraw/zinc/42/82/25/580428225.db2.gz YKIOYEYTDHONFC-UHFFFAOYSA-N 2 2 342.399 1.605 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000783646991 580603379 /nfs/dbraw/zinc/60/33/79/580603379.db2.gz NUJBWUJWNNJKGE-MRXNPFEDSA-N 2 2 346.475 1.656 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000783777166 580606060 /nfs/dbraw/zinc/60/60/60/580606060.db2.gz OGZGIKQPYFSBCY-HOTGVXAUSA-N 2 2 339.480 1.203 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC([C@@H]3CCCO3)CC2)C1 ZINC000783964699 580609271 /nfs/dbraw/zinc/60/92/71/580609271.db2.gz OWWXKLKCRSYCON-WBVHZDCISA-N 2 2 332.448 1.585 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[NH+](C3CCCCC3)CC2)C1 ZINC000783995388 580611225 /nfs/dbraw/zinc/61/12/25/580611225.db2.gz NMQZPLQLNOGEEI-INIZCTEOSA-N 2 2 345.491 1.644 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(Cl)cn3)C2)CC1 ZINC000786142790 580662768 /nfs/dbraw/zinc/66/27/68/580662768.db2.gz CQQWECWDFIVFIQ-OAHLLOKOSA-N 2 2 336.867 1.562 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(Cl)cn3)C2)CC1 ZINC000786142790 580662769 /nfs/dbraw/zinc/66/27/69/580662769.db2.gz CQQWECWDFIVFIQ-OAHLLOKOSA-N 2 2 336.867 1.562 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000788246951 580715013 /nfs/dbraw/zinc/71/50/13/580715013.db2.gz UGUNNCWGHATURE-PBHICJAKSA-N 2 2 346.475 1.762 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000788246951 580715014 /nfs/dbraw/zinc/71/50/14/580715014.db2.gz UGUNNCWGHATURE-PBHICJAKSA-N 2 2 346.475 1.762 20 0 EDADLP Cc1n[nH]nc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000790003008 580759177 /nfs/dbraw/zinc/75/91/77/580759177.db2.gz SFVPCJBYTKRXBM-CVEARBPZSA-N 2 2 348.495 1.522 20 0 EDADLP Cc1n[nH]nc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000790003008 580759178 /nfs/dbraw/zinc/75/91/78/580759178.db2.gz SFVPCJBYTKRXBM-CVEARBPZSA-N 2 2 348.495 1.522 20 0 EDADLP Cc1nn[nH]c1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000790003008 580759179 /nfs/dbraw/zinc/75/91/79/580759179.db2.gz SFVPCJBYTKRXBM-CVEARBPZSA-N 2 2 348.495 1.522 20 0 EDADLP Cc1nn[nH]c1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000790003008 580759180 /nfs/dbraw/zinc/75/91/80/580759180.db2.gz SFVPCJBYTKRXBM-CVEARBPZSA-N 2 2 348.495 1.522 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)C[NH+]1CCC2CC1 ZINC000790362022 580767523 /nfs/dbraw/zinc/76/75/23/580767523.db2.gz IAYMCKXSUAJXSZ-WMZOPIPTSA-N 3 2 345.447 1.394 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CCC[C@H](n3cc[nH+]c3)C1)C[NH+]1CCC2CC1 ZINC000790362022 580767524 /nfs/dbraw/zinc/76/75/24/580767524.db2.gz IAYMCKXSUAJXSZ-WMZOPIPTSA-N 3 2 345.447 1.394 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@H](n3ccnc3)C1)C[NH+]1CCC2CC1 ZINC000790362022 580767525 /nfs/dbraw/zinc/76/75/25/580767525.db2.gz IAYMCKXSUAJXSZ-WMZOPIPTSA-N 2 2 345.447 1.394 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CCC[C@H](n3ccnc3)C1)C[NH+]1CCC2CC1 ZINC000790362022 580767526 /nfs/dbraw/zinc/76/75/26/580767526.db2.gz IAYMCKXSUAJXSZ-WMZOPIPTSA-N 2 2 345.447 1.394 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)C1 ZINC000793741948 580854262 /nfs/dbraw/zinc/85/42/62/580854262.db2.gz FBNGAKRDLBFPCF-CVEARBPZSA-N 2 2 332.448 1.442 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCOC[C@@H](C3CCC3)C2)C1 ZINC000793741948 580854263 /nfs/dbraw/zinc/85/42/63/580854263.db2.gz FBNGAKRDLBFPCF-CVEARBPZSA-N 2 2 332.448 1.442 20 0 EDADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C[C@@H]21 ZINC000794968813 580909349 /nfs/dbraw/zinc/90/93/49/580909349.db2.gz SAWVJUHZYZOUQT-BSXFFOKHSA-N 2 2 343.427 1.365 20 0 EDADLP COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C[C@@H]21 ZINC000794968813 580909350 /nfs/dbraw/zinc/90/93/50/580909350.db2.gz SAWVJUHZYZOUQT-BSXFFOKHSA-N 2 2 343.427 1.365 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795890043 580940414 /nfs/dbraw/zinc/94/04/14/580940414.db2.gz WMTXLNFNEHLGLC-KRWDZBQOSA-N 2 2 326.481 1.866 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795890043 580940415 /nfs/dbraw/zinc/94/04/15/580940415.db2.gz WMTXLNFNEHLGLC-KRWDZBQOSA-N 2 2 326.481 1.866 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000799136015 581018202 /nfs/dbraw/zinc/01/82/02/581018202.db2.gz IZIJYBUCXOHKHG-IDHHARJASA-N 2 2 348.491 1.717 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000799136015 581018203 /nfs/dbraw/zinc/01/82/03/581018203.db2.gz IZIJYBUCXOHKHG-IDHHARJASA-N 2 2 348.491 1.717 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1=O ZINC000799136015 581018204 /nfs/dbraw/zinc/01/82/04/581018204.db2.gz IZIJYBUCXOHKHG-IDHHARJASA-N 2 2 348.491 1.717 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1=O ZINC000799136015 581018205 /nfs/dbraw/zinc/01/82/05/581018205.db2.gz IZIJYBUCXOHKHG-IDHHARJASA-N 2 2 348.491 1.717 20 0 EDADLP CCC(CC)[NH2+]CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000891829994 590641323 /nfs/dbraw/zinc/64/13/23/590641323.db2.gz SGKGOSXZYKNTQI-UHFFFAOYSA-N 2 2 349.479 1.496 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000891832638 590641653 /nfs/dbraw/zinc/64/16/53/590641653.db2.gz AXUZZSJLAPUHKR-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000891832638 590641656 /nfs/dbraw/zinc/64/16/56/590641656.db2.gz AXUZZSJLAPUHKR-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP C[C@@H](CCO)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893081634 590651050 /nfs/dbraw/zinc/65/10/50/590651050.db2.gz IQTPJWLPLXWBRS-AWEZNQCLSA-N 2 2 329.485 1.584 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c[nH+]1 ZINC000891944403 590699779 /nfs/dbraw/zinc/69/97/79/590699779.db2.gz RMABOKRJKOITNR-DGCLKSJQSA-N 2 2 330.354 1.977 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000892044481 590768674 /nfs/dbraw/zinc/76/86/74/590768674.db2.gz KUJBKLJTUOOWQX-WBVHZDCISA-N 2 2 334.464 1.090 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000892044481 590768677 /nfs/dbraw/zinc/76/86/77/590768677.db2.gz KUJBKLJTUOOWQX-WBVHZDCISA-N 2 2 334.464 1.090 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2CO)CC1)NC1CCCCC1 ZINC000892323051 590944728 /nfs/dbraw/zinc/94/47/28/590944728.db2.gz WLCYGWAEIDUUMU-UHFFFAOYSA-N 2 2 332.448 1.145 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000892452389 591032662 /nfs/dbraw/zinc/03/26/62/591032662.db2.gz OLBOKOCLRNALIH-JCNLHEQBSA-N 2 2 331.464 1.426 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(Cl)nc4nc[nH]c43)C2)CC1 ZINC000892490175 591047377 /nfs/dbraw/zinc/04/73/77/591047377.db2.gz ORIININDLBAYGG-SNVBAGLBSA-N 2 2 335.843 1.587 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(Cl)nc4nc[nH]c43)C2)CC1 ZINC000892490175 591047379 /nfs/dbraw/zinc/04/73/79/591047379.db2.gz ORIININDLBAYGG-SNVBAGLBSA-N 2 2 335.843 1.587 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892493200 591048450 /nfs/dbraw/zinc/04/84/50/591048450.db2.gz DBKOGDQTHXAGOG-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891348070 591053977 /nfs/dbraw/zinc/05/39/77/591053977.db2.gz NQOANUUODPPIPD-GFCCVEGCSA-N 2 2 327.379 1.192 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892513799 591054592 /nfs/dbraw/zinc/05/45/92/591054592.db2.gz KZAVLBKNVWUMSU-GXTWGEPZSA-N 2 2 335.477 1.266 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000893706829 591056112 /nfs/dbraw/zinc/05/61/12/591056112.db2.gz KCXHRMUZACTMLK-GJZGRUSLSA-N 2 2 341.496 1.725 20 0 EDADLP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000892612219 591096320 /nfs/dbraw/zinc/09/63/20/591096320.db2.gz TWZSWJAWRLYVPO-QGZVFWFLSA-N 2 2 334.464 1.186 20 0 EDADLP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000892612219 591096323 /nfs/dbraw/zinc/09/63/23/591096323.db2.gz TWZSWJAWRLYVPO-QGZVFWFLSA-N 2 2 334.464 1.186 20 0 EDADLP C[NH+]1CCC(NC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)CC1 ZINC000891524058 591107046 /nfs/dbraw/zinc/10/70/46/591107046.db2.gz IFRDBQVSVRLVGY-MRXNPFEDSA-N 2 2 329.448 1.670 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2CO)CC1)Nc1ccccc1 ZINC000891671988 591179519 /nfs/dbraw/zinc/17/95/19/591179519.db2.gz TZTGGIQUOLFFGG-UHFFFAOYSA-N 2 2 326.400 1.335 20 0 EDADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000894083878 591184261 /nfs/dbraw/zinc/18/42/61/591184261.db2.gz HESBESGBOVHPFA-CYBMUJFWSA-N 2 2 338.419 1.121 20 0 EDADLP Cc1cc[nH+]c(N)c1C[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000894083878 591184263 /nfs/dbraw/zinc/18/42/63/591184263.db2.gz HESBESGBOVHPFA-CYBMUJFWSA-N 2 2 338.419 1.121 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892804691 591184348 /nfs/dbraw/zinc/18/43/48/591184348.db2.gz XVULGIZBNLFPNC-QGZVFWFLSA-N 2 2 327.432 1.629 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)[C@H]2C1 ZINC000891690095 591185951 /nfs/dbraw/zinc/18/59/51/591185951.db2.gz ZSPVJGCGAIFUPO-MSOLQXFVSA-N 2 2 339.443 1.777 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)[C@H]2C1 ZINC000891690095 591185953 /nfs/dbraw/zinc/18/59/53/591185953.db2.gz ZSPVJGCGAIFUPO-MSOLQXFVSA-N 2 2 339.443 1.777 20 0 EDADLP CN(C)c1cc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[nH+]cn1 ZINC000892851076 591203628 /nfs/dbraw/zinc/20/36/28/591203628.db2.gz BGTKRQVVGLICOP-UHFFFAOYSA-N 2 2 348.495 1.581 20 0 EDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC000892855890 591205379 /nfs/dbraw/zinc/20/53/79/591205379.db2.gz CHBHSPDZGVYJBV-CQSZACIVSA-N 2 2 344.459 1.571 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000891741139 591206067 /nfs/dbraw/zinc/20/60/67/591206067.db2.gz LBPXQAHTGDVTDG-HNNXBMFYSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000891741139 591206068 /nfs/dbraw/zinc/20/60/68/591206068.db2.gz LBPXQAHTGDVTDG-HNNXBMFYSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@@H](C[NH2+]Cc1nc(Br)nn1C)C[NH+]1CCCCC1 ZINC000894196461 591224287 /nfs/dbraw/zinc/22/42/87/591224287.db2.gz XCNZOJXXPAYOOJ-NSHDSACASA-N 2 2 330.274 1.789 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cnc1Br ZINC000841181435 591271997 /nfs/dbraw/zinc/27/19/97/591271997.db2.gz DPTUPMHMRYRRPZ-NSHDSACASA-N 2 2 342.241 1.259 20 0 EDADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894445303 591313666 /nfs/dbraw/zinc/31/36/66/591313666.db2.gz JGIZEJKLLVBUSC-RRFJBIMHSA-N 2 2 341.496 1.989 20 0 EDADLP CCc1onc(C)c1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000894451602 591315469 /nfs/dbraw/zinc/31/54/69/591315469.db2.gz FSNOWFXSNSPIPG-UHFFFAOYSA-N 2 2 334.464 1.531 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000897408161 591368817 /nfs/dbraw/zinc/36/88/17/591368817.db2.gz MCZAVCKYDQSAPX-YOEHRIQHSA-N 2 2 349.500 1.674 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC000894910255 591470586 /nfs/dbraw/zinc/47/05/86/591470586.db2.gz WKWLTZHSZQLZAB-IEBWSBKVSA-N 2 2 343.475 1.925 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898719150 591483624 /nfs/dbraw/zinc/48/36/24/591483624.db2.gz CEOBUPVWFDXLDX-LNFKQOIKSA-N 2 2 342.237 1.748 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897482207 591488798 /nfs/dbraw/zinc/48/87/98/591488798.db2.gz NMDHTWPMMTYYLP-IRXDYDNUSA-N 2 2 345.491 1.954 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897482207 591488802 /nfs/dbraw/zinc/48/88/02/591488802.db2.gz NMDHTWPMMTYYLP-IRXDYDNUSA-N 2 2 345.491 1.954 20 0 EDADLP O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)C1 ZINC000898725236 591490778 /nfs/dbraw/zinc/49/07/78/591490778.db2.gz SANASEXXSVPOIT-NXEZZACHSA-N 2 2 348.266 1.127 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000896559721 591514918 /nfs/dbraw/zinc/51/49/18/591514918.db2.gz SYKXHVOBWWHKQF-DZGCQCFKSA-N 2 2 340.464 1.721 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)C1 ZINC000896559721 591514921 /nfs/dbraw/zinc/51/49/21/591514921.db2.gz SYKXHVOBWWHKQF-DZGCQCFKSA-N 2 2 340.464 1.721 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000896595257 591546180 /nfs/dbraw/zinc/54/61/80/591546180.db2.gz PJRZKPJTDZRPGS-LBPRGKRZSA-N 2 2 325.482 1.488 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000896595257 591546182 /nfs/dbraw/zinc/54/61/82/591546182.db2.gz PJRZKPJTDZRPGS-LBPRGKRZSA-N 2 2 325.482 1.488 20 0 EDADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)C12CCC2 ZINC000898846247 591553492 /nfs/dbraw/zinc/55/34/92/591553492.db2.gz SDDCKLQLOXPWDT-LSDHHAIUSA-N 2 2 325.416 1.870 20 0 EDADLP CCOC(=O)c1n[nH]c([C@@H](CC(C)C)[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000895132280 591607514 /nfs/dbraw/zinc/60/75/14/591607514.db2.gz PVLOGHFQMDEDSN-CQSZACIVSA-N 2 2 337.468 2.000 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000896987569 591705791 /nfs/dbraw/zinc/70/57/91/591705791.db2.gz CPAWDARGZQZBII-KRWDZBQOSA-N 3 2 347.507 1.554 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000896987569 591705795 /nfs/dbraw/zinc/70/57/95/591705795.db2.gz CPAWDARGZQZBII-KRWDZBQOSA-N 3 2 347.507 1.554 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000896987569 591705797 /nfs/dbraw/zinc/70/57/97/591705797.db2.gz CPAWDARGZQZBII-KRWDZBQOSA-N 2 2 347.507 1.554 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000896987569 591705802 /nfs/dbraw/zinc/70/58/02/591705802.db2.gz CPAWDARGZQZBII-KRWDZBQOSA-N 2 2 347.507 1.554 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cn21 ZINC000895533381 591791482 /nfs/dbraw/zinc/79/14/82/591791482.db2.gz HUBCHCDLAUMZOE-GOEBONIOSA-N 2 2 327.432 1.531 20 0 EDADLP CCOC(=O)c1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)on1 ZINC000895558687 591801459 /nfs/dbraw/zinc/80/14/59/591801459.db2.gz ZDIVHJOWSDAHOO-CYBMUJFWSA-N 2 2 330.388 1.957 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895569335 591809244 /nfs/dbraw/zinc/80/92/44/591809244.db2.gz ULRBAUPIMSDIHT-MRXNPFEDSA-N 2 2 342.443 1.572 20 0 EDADLP CCn1cnc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000902140081 591920336 /nfs/dbraw/zinc/92/03/36/591920336.db2.gz VCJGEDXOYHCHIZ-UHFFFAOYSA-N 2 2 342.447 1.127 20 0 EDADLP COc1cn(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c(C)cc1=O ZINC000902225777 591949255 /nfs/dbraw/zinc/94/92/55/591949255.db2.gz YSEPQADIWYVWRU-UHFFFAOYSA-N 2 2 329.404 1.043 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nc[nH+]1 ZINC000902358174 591986249 /nfs/dbraw/zinc/98/62/49/591986249.db2.gz BLIFBPURCHOGKV-LSDHHAIUSA-N 3 2 332.496 1.855 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000899933518 591987677 /nfs/dbraw/zinc/98/76/77/591987677.db2.gz OWSJYSYBTPFCER-NTFMERETSA-N 2 2 343.471 1.299 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000899933518 591987681 /nfs/dbraw/zinc/98/76/81/591987681.db2.gz OWSJYSYBTPFCER-NTFMERETSA-N 2 2 343.471 1.299 20 0 EDADLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)C1([NH3+])CC1 ZINC000902385626 591989513 /nfs/dbraw/zinc/98/95/13/591989513.db2.gz XFQRIAUEKOKOCW-SECBINFHSA-N 2 2 335.832 1.227 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902442507 591996653 /nfs/dbraw/zinc/99/66/53/591996653.db2.gz IVMOHKGKOFOOKK-HIFRSBDPSA-N 2 2 339.480 1.154 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)CCC2 ZINC000902485270 592005542 /nfs/dbraw/zinc/00/55/42/592005542.db2.gz ZAMFRQHXEWUVBA-WMLDXEAASA-N 2 2 337.489 1.833 20 0 EDADLP CC(C)c1cc(N2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC000900394039 592005890 /nfs/dbraw/zinc/00/58/90/592005890.db2.gz LVIRMZOHRIXDCM-KGLIPLIRSA-N 2 2 338.477 1.299 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H]4CC[C@@]43C[NH3+])nc[nH+]2)C1 ZINC000900417817 592013716 /nfs/dbraw/zinc/01/37/16/592013716.db2.gz MGQNYXKMZRAAAQ-LUXYFRNMSA-N 2 2 331.464 1.391 20 0 EDADLP COC[C@@H]1C[NH2+]CCN1c1cc(N[C@H]2CCCO[C@@H]2C(C)C)[nH+]cn1 ZINC000900449904 592020813 /nfs/dbraw/zinc/02/08/13/592020813.db2.gz JRDWMTJVZSYULA-RLFYNMQTSA-N 2 2 349.479 1.517 20 0 EDADLP COC(=O)c1c2cnn(C[N@@H+]3C[C@@H]4C[NH+](C)C[C@]4(C)C3)c2ccc1C ZINC000902616233 592026903 /nfs/dbraw/zinc/02/69/03/592026903.db2.gz BDDRMIFREXVUKL-IFXJQAMLSA-N 2 2 342.443 1.972 20 0 EDADLP COC(=O)c1c2cnn(C[N@H+]3C[C@@H]4C[NH+](C)C[C@]4(C)C3)c2ccc1C ZINC000902616233 592026905 /nfs/dbraw/zinc/02/69/05/592026905.db2.gz BDDRMIFREXVUKL-IFXJQAMLSA-N 2 2 342.443 1.972 20 0 EDADLP COC(=O)c1c2cnn(C[NH+]3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)c2ccc1C ZINC000902616233 592026908 /nfs/dbraw/zinc/02/69/08/592026908.db2.gz BDDRMIFREXVUKL-IFXJQAMLSA-N 2 2 342.443 1.972 20 0 EDADLP COC(=O)c1c2cnn(C[NH+]3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)c2ccc1C ZINC000902616233 592026911 /nfs/dbraw/zinc/02/69/11/592026911.db2.gz BDDRMIFREXVUKL-IFXJQAMLSA-N 2 2 342.443 1.972 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)[NH+]2CCCC2)o1 ZINC000900492072 592033193 /nfs/dbraw/zinc/03/31/93/592033193.db2.gz NWSRKOUOMFVOAE-RLFYNMQTSA-N 2 2 335.448 1.296 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)[NH+]2CCCC2)o1 ZINC000900492072 592033195 /nfs/dbraw/zinc/03/31/95/592033195.db2.gz NWSRKOUOMFVOAE-RLFYNMQTSA-N 2 2 335.448 1.296 20 0 EDADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000902645395 592038000 /nfs/dbraw/zinc/03/80/00/592038000.db2.gz VZMPMSYSLLBTAG-LJQANCHMSA-N 2 2 346.519 1.923 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](Cc3nccs3)C2)C1 ZINC000902649351 592038838 /nfs/dbraw/zinc/03/88/38/592038838.db2.gz JQLOVSCMPGAGQF-ZIAGYGMSSA-N 2 2 345.472 1.715 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](Cc3nccs3)C2)C1 ZINC000902649351 592038841 /nfs/dbraw/zinc/03/88/41/592038841.db2.gz JQLOVSCMPGAGQF-ZIAGYGMSSA-N 2 2 345.472 1.715 20 0 EDADLP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000900562246 592052919 /nfs/dbraw/zinc/05/29/19/592052919.db2.gz LNYLKVDNHMPVBA-DAWZGUTISA-N 2 2 346.475 1.938 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000900660224 592083739 /nfs/dbraw/zinc/08/37/39/592083739.db2.gz RXDBLNGHORAYHY-CVEARBPZSA-N 2 2 339.480 1.252 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000900660224 592083742 /nfs/dbraw/zinc/08/37/42/592083742.db2.gz RXDBLNGHORAYHY-CVEARBPZSA-N 2 2 339.480 1.252 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000900660224 592083745 /nfs/dbraw/zinc/08/37/45/592083745.db2.gz RXDBLNGHORAYHY-CVEARBPZSA-N 2 2 339.480 1.252 20 0 EDADLP Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674187 592090842 /nfs/dbraw/zinc/09/08/42/592090842.db2.gz JWHIKAQRGZPKFP-NSHDSACASA-N 2 2 325.844 1.270 20 0 EDADLP Cc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674187 592090844 /nfs/dbraw/zinc/09/08/44/592090844.db2.gz JWHIKAQRGZPKFP-NSHDSACASA-N 2 2 325.844 1.270 20 0 EDADLP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[NH+](C4CC4)C[C@H]3C)C2)[C@@H]1C(C)C ZINC000903122005 592123983 /nfs/dbraw/zinc/12/39/83/592123983.db2.gz WFUVWARVVVCJJD-CETDPJCDSA-N 3 2 335.536 1.929 20 0 EDADLP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[NH+](C4CC4)C[C@H]3C)C2)[C@@H]1C(C)C ZINC000903122005 592123985 /nfs/dbraw/zinc/12/39/85/592123985.db2.gz WFUVWARVVVCJJD-CETDPJCDSA-N 3 2 335.536 1.929 20 0 EDADLP CC[NH+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)[C@@H]1C(C)C ZINC000903122005 592123986 /nfs/dbraw/zinc/12/39/86/592123986.db2.gz WFUVWARVVVCJJD-CETDPJCDSA-N 3 2 335.536 1.929 20 0 EDADLP CC[NH+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)C2)[C@@H]1C(C)C ZINC000903122005 592123988 /nfs/dbraw/zinc/12/39/88/592123988.db2.gz WFUVWARVVVCJJD-CETDPJCDSA-N 3 2 335.536 1.929 20 0 EDADLP C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903429071 592168347 /nfs/dbraw/zinc/16/83/47/592168347.db2.gz NHEPRXIWEVFLKF-CQSZACIVSA-N 2 2 339.399 1.876 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000903442239 592172301 /nfs/dbraw/zinc/17/23/01/592172301.db2.gz LOYFGXHCBZFIEY-ZJPYXAASSA-N 2 2 336.524 1.154 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000900942534 592180287 /nfs/dbraw/zinc/18/02/87/592180287.db2.gz QIXMGXLYROTUFT-OAHLLOKOSA-N 2 2 349.500 1.676 20 0 EDADLP C/C(=C\C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000900955107 592183771 /nfs/dbraw/zinc/18/37/71/592183771.db2.gz MHUHTUUKPQUOCQ-DTQAZKPQSA-N 2 2 349.450 1.652 20 0 EDADLP C/C(=C\C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000900955107 592183773 /nfs/dbraw/zinc/18/37/73/592183773.db2.gz MHUHTUUKPQUOCQ-DTQAZKPQSA-N 2 2 349.450 1.652 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000900995387 592200480 /nfs/dbraw/zinc/20/04/80/592200480.db2.gz LONSKCKYQJKXPR-KFWWJZLASA-N 2 2 337.464 1.003 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000900995387 592200481 /nfs/dbraw/zinc/20/04/81/592200481.db2.gz LONSKCKYQJKXPR-KFWWJZLASA-N 2 2 337.464 1.003 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000900995387 592200483 /nfs/dbraw/zinc/20/04/83/592200483.db2.gz LONSKCKYQJKXPR-KFWWJZLASA-N 2 2 337.464 1.003 20 0 EDADLP C[C@@H]1CCN(C(=O)c2ccnn2CC[NH+](C)C)C[C@@H]1n1cc[nH+]c1 ZINC000901039737 592207465 /nfs/dbraw/zinc/20/74/65/592207465.db2.gz HSUWEYKSERBFTP-ZBFHGGJFSA-N 2 2 330.436 1.365 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCn3nc(C(C)(C)C)cc3C2)cnn1C ZINC000904389533 592243402 /nfs/dbraw/zinc/24/34/02/592243402.db2.gz MLNLYYVVXJHMKP-OAHLLOKOSA-N 2 2 344.507 1.856 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCn3nc(C(C)(C)C)cc3C2)cnn1C ZINC000904389533 592243403 /nfs/dbraw/zinc/24/34/03/592243403.db2.gz MLNLYYVVXJHMKP-OAHLLOKOSA-N 2 2 344.507 1.856 20 0 EDADLP COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904383831 592247436 /nfs/dbraw/zinc/24/74/36/592247436.db2.gz FLYVLRLWWFYDQN-MBNYWOFBSA-N 2 2 346.349 1.996 20 0 EDADLP COc1cc2c(cc1CN1C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C1)OCO2 ZINC000904492367 592265979 /nfs/dbraw/zinc/26/59/79/592265979.db2.gz XCYVUDORQJXPOM-CHWSQXEVSA-N 2 2 330.388 1.084 20 0 EDADLP c1cn(-c2cccc(-c3noc([C@]45C[NH2+]C[C@H]4CCOC5)n3)n2)c[nH+]1 ZINC000904617330 592297333 /nfs/dbraw/zinc/29/73/33/592297333.db2.gz UEOPKRWOLNSIPO-PXAZEXFGSA-N 2 2 338.371 1.195 20 0 EDADLP COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903755104 592312364 /nfs/dbraw/zinc/31/23/64/592312364.db2.gz ASPINTCUAPDJDF-HHXXYDBFSA-N 2 2 330.428 1.527 20 0 EDADLP COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903755104 592312368 /nfs/dbraw/zinc/31/23/68/592312368.db2.gz ASPINTCUAPDJDF-HHXXYDBFSA-N 2 2 330.428 1.527 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000906791314 592345021 /nfs/dbraw/zinc/34/50/21/592345021.db2.gz KQCFECRSWJHCFU-IAGOWNOFSA-N 2 2 348.491 1.375 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000906791314 592345024 /nfs/dbraw/zinc/34/50/24/592345024.db2.gz KQCFECRSWJHCFU-IAGOWNOFSA-N 2 2 348.491 1.375 20 0 EDADLP CC1CCC(NC(=O)C[NH+]2CCN(C[C@H]([NH3+])CC(F)F)CC2)CC1 ZINC000903891252 592352297 /nfs/dbraw/zinc/35/22/97/592352297.db2.gz KOPAOPWKHWZCAC-SHARSMKWSA-N 2 2 346.466 1.281 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2nnc3ccccn32)cnn1C ZINC000903889975 592352307 /nfs/dbraw/zinc/35/23/07/592352307.db2.gz WVQJXVIUTIEEOQ-AWEZNQCLSA-N 2 2 327.436 1.021 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2nnc3ccccn32)cnn1C ZINC000903889975 592352312 /nfs/dbraw/zinc/35/23/12/592352312.db2.gz WVQJXVIUTIEEOQ-AWEZNQCLSA-N 2 2 327.436 1.021 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)S1 ZINC000906806109 592354354 /nfs/dbraw/zinc/35/43/54/592354354.db2.gz ICHDIEMXASZJAO-AWEZNQCLSA-N 2 2 338.521 1.886 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903894955 592366234 /nfs/dbraw/zinc/36/62/34/592366234.db2.gz IRNVUIOUEXNOKP-IRXDYDNUSA-N 3 2 332.496 1.653 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903894955 592366240 /nfs/dbraw/zinc/36/62/40/592366240.db2.gz IRNVUIOUEXNOKP-IRXDYDNUSA-N 3 2 332.496 1.653 20 0 EDADLP CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903935716 592385808 /nfs/dbraw/zinc/38/58/08/592385808.db2.gz UAHARHVPWZCMSB-OAHLLOKOSA-N 2 2 341.463 1.674 20 0 EDADLP CC(C)c1ncc2c(n1)CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903935716 592385813 /nfs/dbraw/zinc/38/58/13/592385813.db2.gz UAHARHVPWZCMSB-OAHLLOKOSA-N 2 2 341.463 1.674 20 0 EDADLP CCn1nc(C)c(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1C ZINC000903936162 592385916 /nfs/dbraw/zinc/38/59/16/592385916.db2.gz YULMNCQHXRIVHC-OAHLLOKOSA-N 2 2 331.468 1.668 20 0 EDADLP CCn1nc(C)c(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1C ZINC000903936162 592385919 /nfs/dbraw/zinc/38/59/19/592385919.db2.gz YULMNCQHXRIVHC-OAHLLOKOSA-N 2 2 331.468 1.668 20 0 EDADLP Fc1cccc(N2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903937087 592387281 /nfs/dbraw/zinc/38/72/81/592387281.db2.gz AZORRPFQDZCBPM-KRWDZBQOSA-N 2 2 344.438 1.664 20 0 EDADLP C[C@](O)(C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074260 592403738 /nfs/dbraw/zinc/40/37/38/592403738.db2.gz FVKAUURDEVVYES-VWYCJHECSA-N 2 2 332.313 1.388 20 0 EDADLP C[C@](O)(C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074260 592403741 /nfs/dbraw/zinc/40/37/41/592403741.db2.gz FVKAUURDEVVYES-VWYCJHECSA-N 2 2 332.313 1.388 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000905141931 592434577 /nfs/dbraw/zinc/43/45/77/592434577.db2.gz IDXATWIDOBKPCL-CQSZACIVSA-N 2 2 328.420 1.953 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000905231118 592459202 /nfs/dbraw/zinc/45/92/02/592459202.db2.gz OYEXEIAUYCDANI-MAUKXSAKSA-N 2 2 326.481 1.935 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(O)CCCC1 ZINC000905235155 592483391 /nfs/dbraw/zinc/48/33/91/592483391.db2.gz XIWBFIASNWGPDD-RBUKOAKNSA-N 2 2 348.487 1.533 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(O)CCCC1 ZINC000905235155 592483394 /nfs/dbraw/zinc/48/33/94/592483394.db2.gz XIWBFIASNWGPDD-RBUKOAKNSA-N 2 2 348.487 1.533 20 0 EDADLP Cc1cc(NCC[NH2+]C[C@@H](O)CCC2(O)CCC2)nc(C(C)C)[nH+]1 ZINC000905383944 592513806 /nfs/dbraw/zinc/51/38/06/592513806.db2.gz KHACVMUDTMTJJJ-HNNXBMFYSA-N 2 2 336.480 1.966 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CC[C@@H](O)[C@@H](O)CC3)c2cc1C ZINC000905468109 592543820 /nfs/dbraw/zinc/54/38/20/592543820.db2.gz VQZVJSGFVNVMJM-STEAMIEHSA-N 2 2 347.459 1.268 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)CC2(O)CCCCC2)n1 ZINC000905527293 592562136 /nfs/dbraw/zinc/56/21/36/592562136.db2.gz ABDYLNQCKUPTSW-AWEZNQCLSA-N 2 2 327.494 1.741 20 0 EDADLP CSC[C@H](O)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000905577693 592578669 /nfs/dbraw/zinc/57/86/69/592578669.db2.gz ZRHSKCHTKFFICB-QGZVFWFLSA-N 2 2 338.517 1.981 20 0 EDADLP CSC[C@H](O)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000905577693 592578672 /nfs/dbraw/zinc/57/86/72/592578672.db2.gz ZRHSKCHTKFFICB-QGZVFWFLSA-N 2 2 338.517 1.981 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c(C)c1 ZINC000905620581 592588300 /nfs/dbraw/zinc/58/83/00/592588300.db2.gz UKWJYVMNQSPVPD-OALUTQOASA-N 2 2 348.487 1.886 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c(C)c1 ZINC000905620581 592588301 /nfs/dbraw/zinc/58/83/01/592588301.db2.gz UKWJYVMNQSPVPD-OALUTQOASA-N 2 2 348.487 1.886 20 0 EDADLP c1nc(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc(N2CCSCC2)[nH+]1 ZINC000905690056 592605006 /nfs/dbraw/zinc/60/50/06/592605006.db2.gz LIRIYYSFTDSKPD-AWEZNQCLSA-N 2 2 349.504 1.600 20 0 EDADLP COc1nn(C)cc1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000905678285 592609651 /nfs/dbraw/zinc/60/96/51/592609651.db2.gz KBXRCOWGSBWKPU-OAHLLOKOSA-N 2 2 343.431 1.546 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906238454 592768737 /nfs/dbraw/zinc/76/87/37/592768737.db2.gz DVLZXSJDGAPICS-DLBZAZTESA-N 2 2 346.475 1.177 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906238454 592768739 /nfs/dbraw/zinc/76/87/39/592768739.db2.gz DVLZXSJDGAPICS-DLBZAZTESA-N 2 2 346.475 1.177 20 0 EDADLP Cn1ccc(-n2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nn2)n1 ZINC000906280057 592773071 /nfs/dbraw/zinc/77/30/71/592773071.db2.gz IFRVEDJBSMDWCZ-WMLDXEAASA-N 2 2 341.463 1.450 20 0 EDADLP Cn1ccc(-n2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nn2)n1 ZINC000906280057 592773075 /nfs/dbraw/zinc/77/30/75/592773075.db2.gz IFRVEDJBSMDWCZ-WMLDXEAASA-N 2 2 341.463 1.450 20 0 EDADLP Cn1ccc(-n2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nn2)n1 ZINC000906280057 592773077 /nfs/dbraw/zinc/77/30/77/592773077.db2.gz IFRVEDJBSMDWCZ-WMLDXEAASA-N 2 2 341.463 1.450 20 0 EDADLP Cn1ccc(-n2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nn2)n1 ZINC000906280057 592773081 /nfs/dbraw/zinc/77/30/81/592773081.db2.gz IFRVEDJBSMDWCZ-WMLDXEAASA-N 2 2 341.463 1.450 20 0 EDADLP COCC(COC)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000910404336 592854900 /nfs/dbraw/zinc/85/49/00/592854900.db2.gz ZZOAUQVNVQPJEZ-UHFFFAOYSA-N 2 2 341.496 1.057 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(C[NH+]3CC[C@H](OC)C3)n2)C1 ZINC000906584626 592858248 /nfs/dbraw/zinc/85/82/48/592858248.db2.gz KYDSTDVTSASKDN-KGLIPLIRSA-N 2 2 336.436 1.109 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)c2coc(C[NH+]3CC[C@H](OC)C3)n2)C1 ZINC000906584626 592858249 /nfs/dbraw/zinc/85/82/49/592858249.db2.gz KYDSTDVTSASKDN-KGLIPLIRSA-N 2 2 336.436 1.109 20 0 EDADLP CC[NH+]1CCC[C@@H](NC(=O)c2coc(C[N@@H+]3CC[C@H](OC)C3)n2)C1 ZINC000906584626 592858250 /nfs/dbraw/zinc/85/82/50/592858250.db2.gz KYDSTDVTSASKDN-KGLIPLIRSA-N 2 2 336.436 1.109 20 0 EDADLP CC[NH+]1CCC[C@@H](NC(=O)c2coc(C[N@H+]3CC[C@H](OC)C3)n2)C1 ZINC000906584626 592858251 /nfs/dbraw/zinc/85/82/51/592858251.db2.gz KYDSTDVTSASKDN-KGLIPLIRSA-N 2 2 336.436 1.109 20 0 EDADLP C[C@@H](C(=O)Nc1c[nH+]ccc1Nc1ccccc1)N1CC[NH+](C)CC1 ZINC000911740863 592994171 /nfs/dbraw/zinc/99/41/71/592994171.db2.gz JGBCSBPLOFHBMX-HNNXBMFYSA-N 2 2 339.443 1.822 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000912378321 593089230 /nfs/dbraw/zinc/08/92/30/593089230.db2.gz JFZZWVBPDKHUJD-UHFFFAOYSA-N 2 2 342.371 1.898 20 0 EDADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)N1Cc2ccccc2C1=O ZINC000912386876 593089925 /nfs/dbraw/zinc/08/99/25/593089925.db2.gz JOPDYHOSGZCTFL-OAHLLOKOSA-N 2 2 346.475 1.031 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)N1Cc2ccccc2C1=O ZINC000912386876 593089926 /nfs/dbraw/zinc/08/99/26/593089926.db2.gz JOPDYHOSGZCTFL-OAHLLOKOSA-N 2 2 346.475 1.031 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)S1 ZINC000806934264 593129293 /nfs/dbraw/zinc/12/92/93/593129293.db2.gz UAHWFSLZYXOKAN-LSDHHAIUSA-N 2 2 338.521 1.886 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)S1 ZINC000806934264 593129294 /nfs/dbraw/zinc/12/92/94/593129294.db2.gz UAHWFSLZYXOKAN-LSDHHAIUSA-N 2 2 338.521 1.886 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000838632476 593198596 /nfs/dbraw/zinc/19/85/96/593198596.db2.gz GOCNBMSRKTZOCC-HZPDHXFCSA-N 2 2 343.431 1.939 20 0 EDADLP Cn1cc([C@@H]2N(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C(=O)C2(C)C)cn1 ZINC000808161078 593231473 /nfs/dbraw/zinc/23/14/73/593231473.db2.gz QFXKPFBDBHCDLY-HOTGVXAUSA-N 2 2 342.447 1.821 20 0 EDADLP Cn1cc([C@@H]2N(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C(=O)C2(C)C)cn1 ZINC000808161078 593231475 /nfs/dbraw/zinc/23/14/75/593231475.db2.gz QFXKPFBDBHCDLY-HOTGVXAUSA-N 2 2 342.447 1.821 20 0 EDADLP CCn1ncc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000838896232 593236471 /nfs/dbraw/zinc/23/64/71/593236471.db2.gz VHBKLLIVTJLYPP-UHFFFAOYSA-N 2 2 328.464 1.205 20 0 EDADLP CC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000758224360 593397051 /nfs/dbraw/zinc/39/70/51/593397051.db2.gz UGWMRJUKMCSMOL-KRWDZBQOSA-N 2 2 331.420 1.588 20 0 EDADLP Cc1cc(CNC(=O)CC[NH+]2CCOCC2)cc(N2CCCC2)[nH+]1 ZINC000811622306 593475221 /nfs/dbraw/zinc/47/52/21/593475221.db2.gz IJTWOZAYPPMUOY-UHFFFAOYSA-N 2 2 332.448 1.329 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](OC)C(F)(F)F)CC1 ZINC000812755015 593508825 /nfs/dbraw/zinc/50/88/25/593508825.db2.gz JAYUGFPBMQYZEZ-LBPRGKRZSA-N 2 2 326.359 1.571 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)CCO1 ZINC000813617482 593543893 /nfs/dbraw/zinc/54/38/93/593543893.db2.gz XZUONZGSHXDJSC-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)CCO1 ZINC000813617482 593543894 /nfs/dbraw/zinc/54/38/94/593543894.db2.gz XZUONZGSHXDJSC-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CCO1 ZINC000813617482 593543895 /nfs/dbraw/zinc/54/38/95/593543895.db2.gz XZUONZGSHXDJSC-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP CC[C@H](C)CONC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000813821869 593556471 /nfs/dbraw/zinc/55/64/71/593556471.db2.gz AHIZGJHYZKXRNE-HOCLYGCPSA-N 2 2 326.485 1.774 20 0 EDADLP CC[C@H](C)CONC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000813821869 593556473 /nfs/dbraw/zinc/55/64/73/593556473.db2.gz AHIZGJHYZKXRNE-HOCLYGCPSA-N 2 2 326.485 1.774 20 0 EDADLP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000817895221 593646499 /nfs/dbraw/zinc/64/64/99/593646499.db2.gz VJPOLOUXNFUKEY-CEXWTWQISA-N 2 2 334.460 1.864 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000817896587 593646702 /nfs/dbraw/zinc/64/67/02/593646702.db2.gz LLJZNGIUKCBTOI-LEWSCRJBSA-N 2 2 326.824 1.875 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819152996 593741658 /nfs/dbraw/zinc/74/16/58/593741658.db2.gz GLSBHEUKNKBZJJ-JLZZUVOBSA-N 2 2 338.473 1.196 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819152996 593741659 /nfs/dbraw/zinc/74/16/59/593741659.db2.gz GLSBHEUKNKBZJJ-JLZZUVOBSA-N 2 2 338.473 1.196 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819152997 593741756 /nfs/dbraw/zinc/74/17/56/593741756.db2.gz GLSBHEUKNKBZJJ-OAUYIBNBSA-N 2 2 338.473 1.196 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819152997 593741757 /nfs/dbraw/zinc/74/17/57/593741757.db2.gz GLSBHEUKNKBZJJ-OAUYIBNBSA-N 2 2 338.473 1.196 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@H](O)c2ccccc2)C1=O ZINC000819223350 593745357 /nfs/dbraw/zinc/74/53/57/593745357.db2.gz ZKFXTDJVPYLRJZ-HOTGVXAUSA-N 2 2 328.416 1.234 20 0 EDADLP c1cc(-c2nn[nH]n2)sc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000823746950 593848951 /nfs/dbraw/zinc/84/89/51/593848951.db2.gz AVSYOBZWIQHTHG-GFCCVEGCSA-N 2 2 348.476 1.519 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3ccnc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC000824279325 593974759 /nfs/dbraw/zinc/97/47/59/593974759.db2.gz ROOYWQFKUCMHAM-JKSUJKDBSA-N 2 2 340.431 1.503 20 0 EDADLP C[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825018940 594117028 /nfs/dbraw/zinc/11/70/28/594117028.db2.gz BKOXJAWLYSXSSV-DYVFJYSZSA-N 2 2 342.447 1.598 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000825369881 594174821 /nfs/dbraw/zinc/17/48/21/594174821.db2.gz ZVMFPIHJRNSHCQ-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000825369881 594174823 /nfs/dbraw/zinc/17/48/23/594174823.db2.gz ZVMFPIHJRNSHCQ-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000825369881 594174825 /nfs/dbraw/zinc/17/48/25/594174825.db2.gz ZVMFPIHJRNSHCQ-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000825369881 594174827 /nfs/dbraw/zinc/17/48/27/594174827.db2.gz ZVMFPIHJRNSHCQ-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cc[nH+]c(N2CCC(C[NH+]3CCCC3)CC2)c1-c1nn[nH]n1 ZINC000826309895 594417566 /nfs/dbraw/zinc/41/75/66/594417566.db2.gz FPVITVDSVNLWJQ-UHFFFAOYSA-N 2 2 327.436 1.882 20 0 EDADLP C[C@]1(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CC1(Cl)Cl ZINC000828460996 594426660 /nfs/dbraw/zinc/42/66/60/594426660.db2.gz HFSMFMHVVGKLMF-TZMCWYRMSA-N 2 2 334.291 1.984 20 0 EDADLP C[C@]1(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1(Cl)Cl ZINC000828460996 594426662 /nfs/dbraw/zinc/42/66/62/594426662.db2.gz HFSMFMHVVGKLMF-TZMCWYRMSA-N 2 2 334.291 1.984 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000826364295 594445793 /nfs/dbraw/zinc/44/57/93/594445793.db2.gz QYMJBDKLDXGWOE-GFCCVEGCSA-N 2 2 327.367 1.729 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000826364295 594445794 /nfs/dbraw/zinc/44/57/94/594445794.db2.gz QYMJBDKLDXGWOE-GFCCVEGCSA-N 2 2 327.367 1.729 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000826563927 594527502 /nfs/dbraw/zinc/52/75/02/594527502.db2.gz JXKJQOVISDJMRP-IBGZPJMESA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000826563927 594527503 /nfs/dbraw/zinc/52/75/03/594527503.db2.gz JXKJQOVISDJMRP-IBGZPJMESA-N 2 2 345.487 1.654 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000826704695 594560082 /nfs/dbraw/zinc/56/00/82/594560082.db2.gz WGXWIONODODZPW-GOSISDBHSA-N 2 2 331.460 1.792 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000826704695 594560084 /nfs/dbraw/zinc/56/00/84/594560084.db2.gz WGXWIONODODZPW-GOSISDBHSA-N 2 2 331.460 1.792 20 0 EDADLP C[NH+]1CCC(OCC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000829526399 594632324 /nfs/dbraw/zinc/63/23/24/594632324.db2.gz QYUCLPHVQKMNSL-GOSISDBHSA-N 2 2 342.443 1.851 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)/C=C\c2cn(C)c[nH+]2)cc1 ZINC000827167802 594650107 /nfs/dbraw/zinc/65/01/07/594650107.db2.gz SUPKDWWZWGUDLT-CTEOGUNLSA-N 2 2 340.427 1.833 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)/C=C\c2cn(C)c[nH+]2)cc1 ZINC000827167802 594650108 /nfs/dbraw/zinc/65/01/08/594650108.db2.gz SUPKDWWZWGUDLT-CTEOGUNLSA-N 2 2 340.427 1.833 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000831642403 594689506 /nfs/dbraw/zinc/68/95/06/594689506.db2.gz AEXSQTOLQOOYQU-UHFFFAOYSA-N 2 2 325.434 1.932 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000831726862 594696771 /nfs/dbraw/zinc/69/67/71/594696771.db2.gz GRKYGPNJOGLLHU-CVEARBPZSA-N 2 2 325.416 1.729 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)Cc3[nH]cc[nH+]3)cc2)CC1 ZINC000831764571 594700718 /nfs/dbraw/zinc/70/07/18/594700718.db2.gz AHVVLKACTRMCGN-UHFFFAOYSA-N 2 2 341.415 1.255 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](CN3CC(F)(F)CC3=O)CC2)CC1 ZINC000841687217 594937509 /nfs/dbraw/zinc/93/75/09/594937509.db2.gz YYJQBRLCNKPRHJ-UHFFFAOYSA-N 2 2 344.450 1.161 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000841838113 594961580 /nfs/dbraw/zinc/96/15/80/594961580.db2.gz MCBKJQPRRSINKL-INIZCTEOSA-N 2 2 345.491 1.725 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NC2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000841838113 594961582 /nfs/dbraw/zinc/96/15/82/594961582.db2.gz MCBKJQPRRSINKL-INIZCTEOSA-N 2 2 345.491 1.725 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845698626 595045312 /nfs/dbraw/zinc/04/53/12/595045312.db2.gz NKJCKWFQAOJLIN-LBPRGKRZSA-N 2 2 339.440 1.179 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000843375428 595092749 /nfs/dbraw/zinc/09/27/49/595092749.db2.gz OKRVINSHNZJSAA-UHFFFAOYSA-N 2 2 344.459 1.243 20 0 EDADLP [NH3+][C@@H](Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)C1CC1 ZINC000842571229 595130094 /nfs/dbraw/zinc/13/00/94/595130094.db2.gz VGZTZNYLIRZIIX-INIZCTEOSA-N 2 2 328.416 1.849 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCn4ccnc43)c2cc1C ZINC000834654656 595184261 /nfs/dbraw/zinc/18/42/61/595184261.db2.gz QRQYSTFIUNOZCL-HUUCEWRRSA-N 2 2 325.416 1.945 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000837762547 595189314 /nfs/dbraw/zinc/18/93/14/595189314.db2.gz NAKHYVPNPPGTEF-INIZCTEOSA-N 2 2 342.447 1.811 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000837762547 595189316 /nfs/dbraw/zinc/18/93/16/595189316.db2.gz NAKHYVPNPPGTEF-INIZCTEOSA-N 2 2 342.447 1.811 20 0 EDADLP C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000867310499 595230116 /nfs/dbraw/zinc/23/01/16/595230116.db2.gz ZUPBNUYYXKGEDY-IYZIGIFBSA-N 2 2 335.492 1.644 20 0 EDADLP C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000867310499 595230117 /nfs/dbraw/zinc/23/01/17/595230117.db2.gz ZUPBNUYYXKGEDY-IYZIGIFBSA-N 2 2 335.492 1.644 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000843072588 595280681 /nfs/dbraw/zinc/28/06/81/595280681.db2.gz IUHLCVJVLPWSQO-CABCVRRESA-N 2 2 332.366 1.784 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000843072588 595280683 /nfs/dbraw/zinc/28/06/83/595280683.db2.gz IUHLCVJVLPWSQO-CABCVRRESA-N 2 2 332.366 1.784 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000843091588 595285168 /nfs/dbraw/zinc/28/51/68/595285168.db2.gz DWLLRSUVHCVUQI-CZUORRHYSA-N 2 2 330.831 1.949 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000843091588 595285170 /nfs/dbraw/zinc/28/51/70/595285170.db2.gz DWLLRSUVHCVUQI-CZUORRHYSA-N 2 2 330.831 1.949 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H](O)c1c(F)cccc1Cl ZINC000843098114 595287008 /nfs/dbraw/zinc/28/70/08/595287008.db2.gz IZDVAOZXOUHIDD-PKWAYOAASA-N 2 2 330.831 1.946 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H](O)c1c(F)cccc1Cl ZINC000843098114 595287009 /nfs/dbraw/zinc/28/70/09/595287009.db2.gz IZDVAOZXOUHIDD-PKWAYOAASA-N 2 2 330.831 1.946 20 0 EDADLP Cn1nc(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000843125293 595293014 /nfs/dbraw/zinc/29/30/14/595293014.db2.gz RBUYRHKWMCVBOF-LLVKDONJSA-N 2 2 343.269 1.370 20 0 EDADLP Cn1nc(Br)cc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000843125293 595293017 /nfs/dbraw/zinc/29/30/17/595293017.db2.gz RBUYRHKWMCVBOF-LLVKDONJSA-N 2 2 343.269 1.370 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000844182346 595294534 /nfs/dbraw/zinc/29/45/34/595294534.db2.gz JPCKONOOSPSDLY-VQIMIIECSA-N 2 2 345.487 1.863 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000846674073 595298685 /nfs/dbraw/zinc/29/86/85/595298685.db2.gz ZCFFDXWKLGZAGG-RYUDHWBXSA-N 2 2 334.247 1.422 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851679 595326674 /nfs/dbraw/zinc/32/66/74/595326674.db2.gz TXQPHOYEAFKTTB-DOMZBBRYSA-N 2 2 329.466 1.021 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851679 595326677 /nfs/dbraw/zinc/32/66/77/595326677.db2.gz TXQPHOYEAFKTTB-DOMZBBRYSA-N 2 2 329.466 1.021 20 0 EDADLP CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000844375455 595333415 /nfs/dbraw/zinc/33/34/15/595333415.db2.gz QGKYHDTVKFQFOD-DOTOQJQBSA-N 2 2 337.464 1.311 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H](OC3CCC3)C1)C[NH+]1CCC2CC1 ZINC000848497599 595396517 /nfs/dbraw/zinc/39/65/17/595396517.db2.gz NDMPVIROQDIKDW-IEBWSBKVSA-N 2 2 349.475 1.894 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H](OC3CCC3)C1)C[NH+]1CCC2CC1 ZINC000848497599 595396520 /nfs/dbraw/zinc/39/65/20/595396520.db2.gz NDMPVIROQDIKDW-IEBWSBKVSA-N 2 2 349.475 1.894 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OCC(N)=O ZINC000848575353 595406922 /nfs/dbraw/zinc/40/69/22/595406922.db2.gz PAHCDLXWNUUNIC-JKSUJKDBSA-N 2 2 347.459 1.666 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OCC(N)=O ZINC000848575353 595406924 /nfs/dbraw/zinc/40/69/24/595406924.db2.gz PAHCDLXWNUUNIC-JKSUJKDBSA-N 2 2 347.459 1.666 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=[NH+]CCS1 ZINC000845110196 595443710 /nfs/dbraw/zinc/44/37/10/595443710.db2.gz XJWFXOHMXOCCQV-SNVBAGLBSA-N 2 2 330.454 1.050 20 0 EDADLP COC(=O)/C=C\c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000848887815 595463315 /nfs/dbraw/zinc/46/33/15/595463315.db2.gz FTUBTMQOKXOIIO-FOSCPCJNSA-N 2 2 334.416 1.620 20 0 EDADLP COC(=O)/C=C\c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000848887815 595463317 /nfs/dbraw/zinc/46/33/17/595463317.db2.gz FTUBTMQOKXOIIO-FOSCPCJNSA-N 2 2 334.416 1.620 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)N[C@H]1CCc2ccccc2C1 ZINC000849279655 595500323 /nfs/dbraw/zinc/50/03/23/595500323.db2.gz CWVWXUVXBHBDEY-SFHVURJKSA-N 2 2 348.560 1.892 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)N[C@H]1CCc2ccccc2C1 ZINC000849279655 595500324 /nfs/dbraw/zinc/50/03/24/595500324.db2.gz CWVWXUVXBHBDEY-SFHVURJKSA-N 2 2 348.560 1.892 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757592 595529407 /nfs/dbraw/zinc/52/94/07/595529407.db2.gz WZLTXWHXKSZBCL-YPMHNXCESA-N 2 2 332.370 1.971 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757592 595529410 /nfs/dbraw/zinc/52/94/10/595529410.db2.gz WZLTXWHXKSZBCL-YPMHNXCESA-N 2 2 332.370 1.971 20 0 EDADLP O=C(C=C1CC[NH2+]CC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000852857169 595578111 /nfs/dbraw/zinc/57/81/11/595578111.db2.gz LGVWZJFPMSVWRU-UHFFFAOYSA-N 2 2 339.443 1.288 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)o1 ZINC000857809133 595622267 /nfs/dbraw/zinc/62/22/67/595622267.db2.gz FQRICXSDQGTJQE-KRWDZBQOSA-N 2 2 349.475 1.547 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(C)nc2Br)C[C@H](C)O1 ZINC000858090272 595697374 /nfs/dbraw/zinc/69/73/74/595697374.db2.gz KFJDZVMLCACHSY-TXEJJXNPSA-N 2 2 345.285 1.772 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(C)nc2Br)C[C@H](C)O1 ZINC000858090272 595697375 /nfs/dbraw/zinc/69/73/75/595697375.db2.gz KFJDZVMLCACHSY-TXEJJXNPSA-N 2 2 345.285 1.772 20 0 EDADLP COc1cc2cc[nH+]c(N3CCC[N@H+](CC(N)=O)CC3)c2cc1OC ZINC000853215661 595706127 /nfs/dbraw/zinc/70/61/27/595706127.db2.gz VOZKZTHZIJUPGJ-UHFFFAOYSA-N 2 2 344.415 1.249 20 0 EDADLP COc1cc2cc[nH+]c(N3CCC[N@@H+](CC(N)=O)CC3)c2cc1OC ZINC000853215661 595706128 /nfs/dbraw/zinc/70/61/28/595706128.db2.gz VOZKZTHZIJUPGJ-UHFFFAOYSA-N 2 2 344.415 1.249 20 0 EDADLP C[NH+](C)CCCCCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853486191 595765497 /nfs/dbraw/zinc/76/54/97/595765497.db2.gz AJHCWRHMRBEHLG-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CC[C@@H](OC(=O)Cn1c[nH+]cc1C)[C@H](C)OC(=O)Cn1c[nH+]cc1C ZINC000860846549 595815914 /nfs/dbraw/zinc/81/59/14/595815914.db2.gz AQCGNHJGHNJHDM-LSDHHAIUSA-N 2 2 348.403 1.650 20 0 EDADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000858548927 595825121 /nfs/dbraw/zinc/82/51/21/595825121.db2.gz REOAMEVIYCPAPM-NWDGAFQWSA-N 2 2 326.828 1.108 20 0 EDADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000858548927 595825122 /nfs/dbraw/zinc/82/51/22/595825122.db2.gz REOAMEVIYCPAPM-NWDGAFQWSA-N 2 2 326.828 1.108 20 0 EDADLP C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCCc1c[nH+]cn1C ZINC000853668014 595850848 /nfs/dbraw/zinc/85/08/48/595850848.db2.gz SIFYUWUMBSIOGV-LBPRGKRZSA-N 2 2 339.440 1.964 20 0 EDADLP CCn1ncnc1CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000853686155 595855305 /nfs/dbraw/zinc/85/53/05/595855305.db2.gz VFMXOYAHJKLPFK-OAHLLOKOSA-N 2 2 344.419 1.197 20 0 EDADLP CCn1ncnc1CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000853686155 595855308 /nfs/dbraw/zinc/85/53/08/595855308.db2.gz VFMXOYAHJKLPFK-OAHLLOKOSA-N 2 2 344.419 1.197 20 0 EDADLP Brc1ncn(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000851846185 595944752 /nfs/dbraw/zinc/94/47/52/595944752.db2.gz PXUZWEFKAZWWGE-JTQLQIEISA-N 2 2 325.214 1.643 20 0 EDADLP Brc1ncn(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000851846185 595944754 /nfs/dbraw/zinc/94/47/54/595944754.db2.gz PXUZWEFKAZWWGE-JTQLQIEISA-N 2 2 325.214 1.643 20 0 EDADLP C[C@@H]1C[N@H+](CC[C@@H]2COC(C)(C)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000851882739 595962184 /nfs/dbraw/zinc/96/21/84/595962184.db2.gz FJPVDECLJDBAHS-ZACQAIPSSA-N 2 2 325.497 1.486 20 0 EDADLP C[C@@H]1C[N@@H+](CC[C@@H]2COC(C)(C)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000851882739 595962187 /nfs/dbraw/zinc/96/21/87/595962187.db2.gz FJPVDECLJDBAHS-ZACQAIPSSA-N 2 2 325.497 1.486 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1noc2ccccc12 ZINC000854229120 596008904 /nfs/dbraw/zinc/00/89/04/596008904.db2.gz YRPBMUJZGUCLRR-UHFFFAOYSA-N 2 2 333.436 1.511 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1noc2ccccc12 ZINC000854229120 596008908 /nfs/dbraw/zinc/00/89/08/596008908.db2.gz YRPBMUJZGUCLRR-UHFFFAOYSA-N 2 2 333.436 1.511 20 0 EDADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000854232176 596009739 /nfs/dbraw/zinc/00/97/39/596009739.db2.gz NXKHYZXIJVYTQK-YQQAZPJKSA-N 2 2 335.448 1.610 20 0 EDADLP Cc1nc(N2Cc3ccc[nH+]c3N3C[C@H](O)C[C@H]3C2)c(C)c(C)[nH+]1 ZINC000856530479 596011760 /nfs/dbraw/zinc/01/17/60/596011760.db2.gz GMBNWAKJEYBMFT-JKSUJKDBSA-N 2 2 325.416 1.757 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000861550526 596027164 /nfs/dbraw/zinc/02/71/64/596027164.db2.gz MTJRBLFIMPIFFA-DOMZBBRYSA-N 2 2 329.404 1.179 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000852062137 596028068 /nfs/dbraw/zinc/02/80/68/596028068.db2.gz ZWZWNBIROYQSQH-STQMWFEESA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000852062137 596028071 /nfs/dbraw/zinc/02/80/71/596028071.db2.gz ZWZWNBIROYQSQH-STQMWFEESA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000852062137 596028075 /nfs/dbraw/zinc/02/80/75/596028075.db2.gz ZWZWNBIROYQSQH-STQMWFEESA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000852062137 596028079 /nfs/dbraw/zinc/02/80/79/596028079.db2.gz ZWZWNBIROYQSQH-STQMWFEESA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH+]2CCC([NH+]3CCOCC3)CC2)C1 ZINC000859354161 596061531 /nfs/dbraw/zinc/06/15/31/596061531.db2.gz SQJQBAKYZUSMOZ-UHFFFAOYSA-N 2 2 339.480 1.650 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)C[NH2+]1 ZINC000861688859 596069498 /nfs/dbraw/zinc/06/94/98/596069498.db2.gz VATMQECCCVKZPG-CHWSQXEVSA-N 2 2 339.509 1.336 20 0 EDADLP Cn1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(Cl)n1 ZINC000857045931 596147702 /nfs/dbraw/zinc/14/77/02/596147702.db2.gz AUFYENFFDZRBAL-UHFFFAOYSA-N 2 2 339.871 1.060 20 0 EDADLP CC[C@H]1COC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852556560 596197729 /nfs/dbraw/zinc/19/77/29/596197729.db2.gz BBYFAPAVIIHUNR-JKSUJKDBSA-N 2 2 332.448 1.135 20 0 EDADLP O=C1N[C@@H]2C[N@H+](CC=C(Cl)Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000852751297 596237828 /nfs/dbraw/zinc/23/78/28/596237828.db2.gz WLCYMVDWTSSGOT-NEPJUHHUSA-N 2 2 333.263 1.526 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000852751297 596237829 /nfs/dbraw/zinc/23/78/29/596237829.db2.gz WLCYMVDWTSSGOT-NEPJUHHUSA-N 2 2 333.263 1.526 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000864537148 596256582 /nfs/dbraw/zinc/25/65/82/596256582.db2.gz XQHQBZRNKAVEJX-HUUCEWRRSA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000864537148 596256585 /nfs/dbraw/zinc/25/65/85/596256585.db2.gz XQHQBZRNKAVEJX-HUUCEWRRSA-N 2 2 345.434 1.287 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000866606585 596267125 /nfs/dbraw/zinc/26/71/25/596267125.db2.gz BVELCNWHUIWCEY-ZFWWWQNUSA-N 2 2 345.434 1.333 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000866606585 596267128 /nfs/dbraw/zinc/26/71/28/596267128.db2.gz BVELCNWHUIWCEY-ZFWWWQNUSA-N 2 2 345.434 1.333 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cn21 ZINC000868742202 596292133 /nfs/dbraw/zinc/29/21/33/596292133.db2.gz VDRMQPLZEOVIEW-DOTOQJQBSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)cn21 ZINC000868742202 596292134 /nfs/dbraw/zinc/29/21/34/596292134.db2.gz VDRMQPLZEOVIEW-DOTOQJQBSA-N 2 2 341.459 1.921 20 0 EDADLP C[N@@H+](CC(=O)NC1CCC2(CC1)OCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000118842470 596297081 /nfs/dbraw/zinc/29/70/81/596297081.db2.gz PIGGSCNEGTZFDU-OAHLLOKOSA-N 2 2 339.480 1.062 20 0 EDADLP C[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000118842470 596297083 /nfs/dbraw/zinc/29/70/83/596297083.db2.gz PIGGSCNEGTZFDU-OAHLLOKOSA-N 2 2 339.480 1.062 20 0 EDADLP C[NH+](CC(=O)NC1CCC2(CC1)OCCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842470 596297085 /nfs/dbraw/zinc/29/70/85/596297085.db2.gz PIGGSCNEGTZFDU-OAHLLOKOSA-N 2 2 339.480 1.062 20 0 EDADLP C[NH+](CC(=O)NC1CCC2(CC1)OCCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842470 596297086 /nfs/dbraw/zinc/29/70/86/596297086.db2.gz PIGGSCNEGTZFDU-OAHLLOKOSA-N 2 2 339.480 1.062 20 0 EDADLP CC(=O)N[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C(C)(C)C ZINC000870665239 596314359 /nfs/dbraw/zinc/31/43/59/596314359.db2.gz NGTYPUZKCPDXNE-MRXNPFEDSA-N 2 2 347.463 1.323 20 0 EDADLP COC(=O)N[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C(C)C ZINC000870668224 596315887 /nfs/dbraw/zinc/31/58/87/596315887.db2.gz SLUCCFBNNUNDMD-HNNXBMFYSA-N 2 2 349.435 1.153 20 0 EDADLP CC(C)N(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000869080570 596401442 /nfs/dbraw/zinc/40/14/42/596401442.db2.gz ULWBRTYJBYFRES-FUHWJXTLSA-N 2 2 342.443 1.955 20 0 EDADLP CC(C)N(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000869080570 596401443 /nfs/dbraw/zinc/40/14/43/596401443.db2.gz ULWBRTYJBYFRES-FUHWJXTLSA-N 2 2 342.443 1.955 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@@H]3CCC[NH2+]3)C2)c1 ZINC000870978649 596425717 /nfs/dbraw/zinc/42/57/17/596425717.db2.gz XZIXGYBRSSPYRE-ZWKOTPCHSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@@H]3CCC[NH2+]3)C2)c1 ZINC000870978649 596425720 /nfs/dbraw/zinc/42/57/20/596425720.db2.gz XZIXGYBRSSPYRE-ZWKOTPCHSA-N 2 2 331.460 1.454 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000869402277 596513147 /nfs/dbraw/zinc/51/31/47/596513147.db2.gz GFWYSDIAMGYPHV-QZTJIDSGSA-N 2 2 342.443 1.812 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000869402277 596513149 /nfs/dbraw/zinc/51/31/49/596513149.db2.gz GFWYSDIAMGYPHV-QZTJIDSGSA-N 2 2 342.443 1.812 20 0 EDADLP Cc1cc(CNC(=S)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000865232653 596518830 /nfs/dbraw/zinc/51/88/30/596518830.db2.gz XPAFBTFBAFNPAD-CYBMUJFWSA-N 2 2 337.493 1.116 20 0 EDADLP Cc1cc(CNC(=S)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000865232653 596518831 /nfs/dbraw/zinc/51/88/31/596518831.db2.gz XPAFBTFBAFNPAD-CYBMUJFWSA-N 2 2 337.493 1.116 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNc2nc(N)[nH+]c(C3CCCC3)n2)C1 ZINC000865415055 596568222 /nfs/dbraw/zinc/56/82/22/596568222.db2.gz XKHGBOQOZXYGKY-CQSZACIVSA-N 2 2 334.468 1.880 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNc2nc(N)[nH+]c(C3CCCC3)n2)C1 ZINC000865415055 596568224 /nfs/dbraw/zinc/56/82/24/596568224.db2.gz XKHGBOQOZXYGKY-CQSZACIVSA-N 2 2 334.468 1.880 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865456142 596581137 /nfs/dbraw/zinc/58/11/37/596581137.db2.gz KUGLDZZBESQHJZ-UHFFFAOYSA-N 2 2 342.846 1.906 20 0 EDADLP Clc1cc2c(nc[nH+]c2NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH]1 ZINC000865545711 596607144 /nfs/dbraw/zinc/60/71/44/596607144.db2.gz FYFPCJIMHRQESD-LLVKDONJSA-N 2 2 335.839 1.946 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000867905195 596611606 /nfs/dbraw/zinc/61/16/06/596611606.db2.gz VCRHFNRRPUUBKG-CQSZACIVSA-N 2 2 347.450 1.533 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000867905195 596611607 /nfs/dbraw/zinc/61/16/07/596611607.db2.gz VCRHFNRRPUUBKG-CQSZACIVSA-N 2 2 347.450 1.533 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867905195 596611609 /nfs/dbraw/zinc/61/16/09/596611609.db2.gz VCRHFNRRPUUBKG-CQSZACIVSA-N 2 2 347.450 1.533 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867905195 596611611 /nfs/dbraw/zinc/61/16/11/596611611.db2.gz VCRHFNRRPUUBKG-CQSZACIVSA-N 2 2 347.450 1.533 20 0 EDADLP COc1ncc(Br)cc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000865598324 596623043 /nfs/dbraw/zinc/62/30/43/596623043.db2.gz RMVOYANKYXZYCS-UHFFFAOYSA-N 2 2 325.210 1.919 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869778430 596630563 /nfs/dbraw/zinc/63/05/63/596630563.db2.gz JSRGMUGFKBWDCF-HNNXBMFYSA-N 2 2 344.459 1.696 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869778430 596630565 /nfs/dbraw/zinc/63/05/65/596630565.db2.gz JSRGMUGFKBWDCF-HNNXBMFYSA-N 2 2 344.459 1.696 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@]3(C)CCC[NH2+]3)C2)cc1 ZINC000867998161 596648181 /nfs/dbraw/zinc/64/81/81/596648181.db2.gz QPQVOTNHWFRYNJ-HKUYNNGSSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@]3(C)CCC[NH2+]3)C2)cc1 ZINC000867998161 596648186 /nfs/dbraw/zinc/64/81/86/596648186.db2.gz QPQVOTNHWFRYNJ-HKUYNNGSSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC3([NH3+])CCC3)C2)cc1 ZINC000867997635 596648504 /nfs/dbraw/zinc/64/85/04/596648504.db2.gz IFXBDRNICMPAHD-KRWDZBQOSA-N 2 2 331.460 1.584 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CC3([NH3+])CCC3)C2)cc1 ZINC000867997635 596648508 /nfs/dbraw/zinc/64/85/08/596648508.db2.gz IFXBDRNICMPAHD-KRWDZBQOSA-N 2 2 331.460 1.584 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CC3([NH3+])CCC3)C2)cc1 ZINC000867997650 596648786 /nfs/dbraw/zinc/64/87/86/596648786.db2.gz IFXBDRNICMPAHD-QGZVFWFLSA-N 2 2 331.460 1.584 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CC3([NH3+])CCC3)C2)cc1 ZINC000867997650 596648789 /nfs/dbraw/zinc/64/87/89/596648789.db2.gz IFXBDRNICMPAHD-QGZVFWFLSA-N 2 2 331.460 1.584 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C2)c1 ZINC000867997871 596648871 /nfs/dbraw/zinc/64/88/71/596648871.db2.gz LGLKLPYQPHOQSU-QXAKKESOSA-N 2 2 347.503 1.931 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C2)c1 ZINC000867997871 596648874 /nfs/dbraw/zinc/64/88/74/596648874.db2.gz LGLKLPYQPHOQSU-QXAKKESOSA-N 2 2 347.503 1.931 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865792166 596685221 /nfs/dbraw/zinc/68/52/21/596685221.db2.gz QSAYJDPOBRLPGJ-CABCVRRESA-N 2 2 346.466 1.106 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865792166 596685222 /nfs/dbraw/zinc/68/52/22/596685222.db2.gz QSAYJDPOBRLPGJ-CABCVRRESA-N 2 2 346.466 1.106 20 0 EDADLP C[C@@H]1CN(c2cc(NCc3ccccc3)[nH+]cn2)[C@@H](C)C[N@@H+]1CCO ZINC000865882849 596708933 /nfs/dbraw/zinc/70/89/33/596708933.db2.gz ZZYVEILJDNCYCX-CVEARBPZSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@@H]1CN(c2cc(NCc3ccccc3)[nH+]cn2)[C@@H](C)C[N@H+]1CCO ZINC000865882849 596708936 /nfs/dbraw/zinc/70/89/36/596708936.db2.gz ZZYVEILJDNCYCX-CVEARBPZSA-N 2 2 341.459 1.980 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)NCC[NH2+]C3CCCCCC3)cc2C1 ZINC000868203452 596722180 /nfs/dbraw/zinc/72/21/80/596722180.db2.gz DGYCYKJNBISGCA-UHFFFAOYSA-N 2 2 334.468 1.762 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)NCC[NH2+]C3CCCCCC3)cc2C1 ZINC000868203452 596722181 /nfs/dbraw/zinc/72/21/81/596722181.db2.gz DGYCYKJNBISGCA-UHFFFAOYSA-N 2 2 334.468 1.762 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000866009466 596756525 /nfs/dbraw/zinc/75/65/25/596756525.db2.gz HWSMCJFGZWGWQK-LSDHHAIUSA-N 2 2 329.435 1.908 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000866009466 596756527 /nfs/dbraw/zinc/75/65/27/596756527.db2.gz HWSMCJFGZWGWQK-LSDHHAIUSA-N 2 2 329.435 1.908 20 0 EDADLP CN1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)Cc2ccc[nH+]c21 ZINC000868354094 596797251 /nfs/dbraw/zinc/79/72/51/596797251.db2.gz DKUNVSIQFIJHND-KRWDZBQOSA-N 2 2 349.504 1.480 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)CC ZINC000872049136 596799433 /nfs/dbraw/zinc/79/94/33/596799433.db2.gz PJRYZOIAIDSAIZ-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)C[C@H]1C(F)(F)F ZINC000872147056 596810987 /nfs/dbraw/zinc/81/09/87/596810987.db2.gz CNDYIBIJKVUYAD-CMPLNLGQSA-N 2 2 326.322 1.264 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)C[C@H]1C(F)(F)F ZINC000872147056 596810990 /nfs/dbraw/zinc/81/09/90/596810990.db2.gz CNDYIBIJKVUYAD-CMPLNLGQSA-N 2 2 326.322 1.264 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2scnc2Cl)C1 ZINC000872146875 596811160 /nfs/dbraw/zinc/81/11/60/596811160.db2.gz ZOFWSKFBRRPLLU-BBBLOLIVSA-N 2 2 328.825 1.163 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2scnc2Cl)C1 ZINC000872146875 596811161 /nfs/dbraw/zinc/81/11/61/596811161.db2.gz ZOFWSKFBRRPLLU-BBBLOLIVSA-N 2 2 328.825 1.163 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872149371 596812725 /nfs/dbraw/zinc/81/27/25/596812725.db2.gz VLDQZKPIAFRDAY-SNPRPXQTSA-N 2 2 343.393 1.803 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872149371 596812726 /nfs/dbraw/zinc/81/27/26/596812726.db2.gz VLDQZKPIAFRDAY-SNPRPXQTSA-N 2 2 343.393 1.803 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](COC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000870283499 596823074 /nfs/dbraw/zinc/82/30/74/596823074.db2.gz KIHIXHNRSYYWDT-OAHLLOKOSA-N 2 2 335.379 1.668 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](COC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000870283499 596823076 /nfs/dbraw/zinc/82/30/76/596823076.db2.gz KIHIXHNRSYYWDT-OAHLLOKOSA-N 2 2 335.379 1.668 20 0 EDADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000866268315 596842723 /nfs/dbraw/zinc/84/27/23/596842723.db2.gz SFTPGJRYRWKVMI-IEBWSBKVSA-N 2 2 332.492 1.399 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000868585604 596889434 /nfs/dbraw/zinc/88/94/34/596889434.db2.gz LDKJHNFPLKZOBG-LBPRGKRZSA-N 2 2 329.395 1.360 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000868585604 596889437 /nfs/dbraw/zinc/88/94/37/596889437.db2.gz LDKJHNFPLKZOBG-LBPRGKRZSA-N 2 2 329.395 1.360 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cc2[nH+]1 ZINC000874174932 596954037 /nfs/dbraw/zinc/95/40/37/596954037.db2.gz RZOJQCJNLDJYSB-UKRRQHHQSA-N 2 2 341.415 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)cc2[nH+]1 ZINC000874174932 596954039 /nfs/dbraw/zinc/95/40/39/596954039.db2.gz RZOJQCJNLDJYSB-UKRRQHHQSA-N 2 2 341.415 1.134 20 0 EDADLP CCOC(=O)C[NH+]1CCC(COC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000125697016 597060209 /nfs/dbraw/zinc/06/02/09/597060209.db2.gz BVBWGNQPLKHXKW-MRXNPFEDSA-N 2 2 340.464 1.679 20 0 EDADLP CCOC(=O)C[NH+]1CCC(COC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000125697016 597060212 /nfs/dbraw/zinc/06/02/12/597060212.db2.gz BVBWGNQPLKHXKW-MRXNPFEDSA-N 2 2 340.464 1.679 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)CC[NH+](C)C)C2)cc1 ZINC000876197776 597130304 /nfs/dbraw/zinc/13/03/04/597130304.db2.gz HCMSXJPUMHZKJQ-SFHVURJKSA-N 2 2 348.491 1.399 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)CC[NH+](C)C)C2)cc1 ZINC000876197776 597130309 /nfs/dbraw/zinc/13/03/09/597130309.db2.gz HCMSXJPUMHZKJQ-SFHVURJKSA-N 2 2 348.491 1.399 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000876212855 597139056 /nfs/dbraw/zinc/13/90/56/597139056.db2.gz NANCTIBZKYQHPY-QGZVFWFLSA-N 2 2 332.448 1.147 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000876212855 597139057 /nfs/dbraw/zinc/13/90/57/597139057.db2.gz NANCTIBZKYQHPY-QGZVFWFLSA-N 2 2 332.448 1.147 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cn2cccc(C)c2n1 ZINC000874703156 597146702 /nfs/dbraw/zinc/14/67/02/597146702.db2.gz NOUUZBGXBJYNSG-INIZCTEOSA-N 2 2 330.432 1.412 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)Cc1cn2cccc(C)c2n1 ZINC000874703156 597146704 /nfs/dbraw/zinc/14/67/04/597146704.db2.gz NOUUZBGXBJYNSG-INIZCTEOSA-N 2 2 330.432 1.412 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000874703156 597146706 /nfs/dbraw/zinc/14/67/06/597146706.db2.gz NOUUZBGXBJYNSG-INIZCTEOSA-N 2 2 330.432 1.412 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000874703156 597146708 /nfs/dbraw/zinc/14/67/08/597146708.db2.gz NOUUZBGXBJYNSG-INIZCTEOSA-N 2 2 330.432 1.412 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000874711286 597156114 /nfs/dbraw/zinc/15/61/14/597156114.db2.gz OTRZKOABZBJUMY-CEXWTWQISA-N 2 2 345.487 1.559 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000874711286 597156115 /nfs/dbraw/zinc/15/61/15/597156115.db2.gz OTRZKOABZBJUMY-CEXWTWQISA-N 2 2 345.487 1.559 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000874711286 597156116 /nfs/dbraw/zinc/15/61/16/597156116.db2.gz OTRZKOABZBJUMY-CEXWTWQISA-N 2 2 345.487 1.559 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000874711286 597156117 /nfs/dbraw/zinc/15/61/17/597156117.db2.gz OTRZKOABZBJUMY-CEXWTWQISA-N 2 2 345.487 1.559 20 0 EDADLP C[NH+](C)CCNC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000876380169 597186976 /nfs/dbraw/zinc/18/69/76/597186976.db2.gz XQQUZKFSFBXCFP-UHFFFAOYSA-N 2 2 341.459 1.949 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000874835797 597191395 /nfs/dbraw/zinc/19/13/95/597191395.db2.gz ALQSYUVVCXAKKZ-RTBURBONSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000874835797 597191398 /nfs/dbraw/zinc/19/13/98/597191398.db2.gz ALQSYUVVCXAKKZ-RTBURBONSA-N 2 2 343.471 1.828 20 0 EDADLP COCCC1([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC[NH2+]CC1 ZINC000873225085 597232701 /nfs/dbraw/zinc/23/27/01/597232701.db2.gz MGSSZXHDZULYCU-UHFFFAOYSA-N 2 2 332.491 1.400 20 0 EDADLP COCCN(C)c1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000873227626 597234410 /nfs/dbraw/zinc/23/44/10/597234410.db2.gz JZCAGZURVOUETC-KBPBESRZSA-N 2 2 346.397 1.733 20 0 EDADLP COCCN(C)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000873227626 597234412 /nfs/dbraw/zinc/23/44/12/597234412.db2.gz JZCAGZURVOUETC-KBPBESRZSA-N 2 2 346.397 1.733 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230390 597234746 /nfs/dbraw/zinc/23/47/46/597234746.db2.gz QQKWBKWXKWJXMT-SJLPKXTDSA-N 2 2 334.464 1.826 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873250786 597240469 /nfs/dbraw/zinc/24/04/69/597240469.db2.gz SFSVTYMIXRTHLX-KCYZZUKISA-N 2 2 338.473 1.348 20 0 EDADLP CO[C@@H](C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1)C1CCOCC1 ZINC000876618364 597263036 /nfs/dbraw/zinc/26/30/36/597263036.db2.gz SEMKOESAZGMGPI-HNNXBMFYSA-N 2 2 341.521 1.927 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000875109490 597285328 /nfs/dbraw/zinc/28/53/28/597285328.db2.gz CGEUTIDNIXOELX-UHFFFAOYSA-N 2 2 349.479 1.159 20 0 EDADLP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000876710551 597298161 /nfs/dbraw/zinc/29/81/61/597298161.db2.gz JRQQOVPLQPBGPB-WBVHZDCISA-N 2 2 335.423 1.157 20 0 EDADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000876711408 597298893 /nfs/dbraw/zinc/29/88/93/597298893.db2.gz VUTFYEGSSMFILS-GIFJBRJJSA-N 2 2 343.471 1.765 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000875139711 597299249 /nfs/dbraw/zinc/29/92/49/597299249.db2.gz FYPOBBWHOCWLEC-SFHVURJKSA-N 2 2 348.491 1.528 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000875139711 597299250 /nfs/dbraw/zinc/29/92/50/597299250.db2.gz FYPOBBWHOCWLEC-SFHVURJKSA-N 2 2 348.491 1.528 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000875139711 597299251 /nfs/dbraw/zinc/29/92/51/597299251.db2.gz FYPOBBWHOCWLEC-SFHVURJKSA-N 2 2 348.491 1.528 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000875139711 597299253 /nfs/dbraw/zinc/29/92/53/597299253.db2.gz FYPOBBWHOCWLEC-SFHVURJKSA-N 2 2 348.491 1.528 20 0 EDADLP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000876747234 597319711 /nfs/dbraw/zinc/31/97/11/597319711.db2.gz YRDMBZVESYNRPE-HNNXBMFYSA-N 2 2 342.447 1.859 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000876757014 597325517 /nfs/dbraw/zinc/32/55/17/597325517.db2.gz AAWXYXOAKSHHRW-FGTMMUONSA-N 2 2 345.487 1.420 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000876785006 597339537 /nfs/dbraw/zinc/33/95/37/597339537.db2.gz NNKMGTWUCYGJOI-KDOFPFPSSA-N 2 2 348.466 1.785 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)cn21 ZINC000875265509 597358768 /nfs/dbraw/zinc/35/87/68/597358768.db2.gz NKAMJGYYUDJKTJ-AWEZNQCLSA-N 2 2 345.447 1.287 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)cn21 ZINC000875265509 597358770 /nfs/dbraw/zinc/35/87/70/597358770.db2.gz NKAMJGYYUDJKTJ-AWEZNQCLSA-N 2 2 345.447 1.287 20 0 EDADLP COc1c(C)cnc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1C ZINC000877030505 597416878 /nfs/dbraw/zinc/41/68/78/597416878.db2.gz DUJDBYDEESKDEU-KRWDZBQOSA-N 2 2 348.491 1.203 20 0 EDADLP CSC(C)(C)CC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877150971 597443912 /nfs/dbraw/zinc/44/39/12/597443912.db2.gz BHJSNGNFLZHJPC-CQSZACIVSA-N 2 2 329.510 1.041 20 0 EDADLP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877202004 597460571 /nfs/dbraw/zinc/46/05/71/597460571.db2.gz VQOJMUNGNKBHON-NHZBNJEXSA-N 2 2 346.500 1.807 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)ccn12 ZINC000877355236 597499745 /nfs/dbraw/zinc/49/97/45/597499745.db2.gz HGDIVXYINYKBGG-VXGBXAGGSA-N 2 2 326.322 1.852 20 0 EDADLP Cn1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(C(F)F)n1 ZINC000877746283 597552660 /nfs/dbraw/zinc/55/26/60/597552660.db2.gz KUFZKRYQMWRYKQ-UHFFFAOYSA-N 2 2 327.423 1.570 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)CC3(CO)CCCC3)CC2)c1 ZINC000878057544 597572698 /nfs/dbraw/zinc/57/26/98/597572698.db2.gz NFLXZSCFMUPRLF-MRXNPFEDSA-N 2 2 349.475 1.516 20 0 EDADLP Cc1cccnc1NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878155329 597582588 /nfs/dbraw/zinc/58/25/88/597582588.db2.gz NSMVLTRYDKCMOE-UHFFFAOYSA-N 2 2 346.475 1.905 20 0 EDADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCOc4ccccc43)CC[C@H]21 ZINC000879581133 597641592 /nfs/dbraw/zinc/64/15/92/597641592.db2.gz WUQVKWOTCHRPQS-JKSUJKDBSA-N 2 2 329.444 1.828 20 0 EDADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCOc4ccccc43)CC[C@H]21 ZINC000879581133 597641594 /nfs/dbraw/zinc/64/15/94/597641594.db2.gz WUQVKWOTCHRPQS-JKSUJKDBSA-N 2 2 329.444 1.828 20 0 EDADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CCOc4ccccc43)CC[C@H]21 ZINC000879581133 597641596 /nfs/dbraw/zinc/64/15/96/597641596.db2.gz WUQVKWOTCHRPQS-JKSUJKDBSA-N 2 2 329.444 1.828 20 0 EDADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CCOc4ccccc43)CC[C@H]21 ZINC000879581133 597641598 /nfs/dbraw/zinc/64/15/98/597641598.db2.gz WUQVKWOTCHRPQS-JKSUJKDBSA-N 2 2 329.444 1.828 20 0 EDADLP O[C@]1(C[N@@H+]2CC[C@@](O)(C(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000878669859 597673503 /nfs/dbraw/zinc/67/35/03/597673503.db2.gz MOHKAKOOGKTMGI-SJORKVTESA-N 2 2 326.387 1.325 20 0 EDADLP O[C@]1(C[N@H+]2CC[C@@](O)(C(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000878669859 597673505 /nfs/dbraw/zinc/67/35/05/597673505.db2.gz MOHKAKOOGKTMGI-SJORKVTESA-N 2 2 326.387 1.325 20 0 EDADLP O[C@]1(C[NH+]2CC[C@@](O)(C(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000878669859 597673507 /nfs/dbraw/zinc/67/35/07/597673507.db2.gz MOHKAKOOGKTMGI-SJORKVTESA-N 2 2 326.387 1.325 20 0 EDADLP O[C@]1(C[NH+]2CC[C@@](O)(C(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000878669859 597673509 /nfs/dbraw/zinc/67/35/09/597673509.db2.gz MOHKAKOOGKTMGI-SJORKVTESA-N 2 2 326.387 1.325 20 0 EDADLP C[C@H]([NH2+][C@@H](C)c1ccnn1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000879685774 597686179 /nfs/dbraw/zinc/68/61/79/597686179.db2.gz LZVRWSDOQIKFFV-GJZGRUSLSA-N 2 2 342.447 1.203 20 0 EDADLP CONC(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000879926606 597767910 /nfs/dbraw/zinc/76/79/10/597767910.db2.gz XABDHSLOJWEFTM-UHFFFAOYSA-N 2 2 347.459 1.408 20 0 EDADLP O=C1CC2(CCC2)[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCN1 ZINC000880167336 597862944 /nfs/dbraw/zinc/86/29/44/597862944.db2.gz KHNLFWQCVHOABO-UHFFFAOYSA-N 2 2 343.471 1.763 20 0 EDADLP O=C1CC2(CCC2)[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCN1 ZINC000880167336 597862946 /nfs/dbraw/zinc/86/29/46/597862946.db2.gz KHNLFWQCVHOABO-UHFFFAOYSA-N 2 2 343.471 1.763 20 0 EDADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@]12C[C@@H]1CCCC2 ZINC000879263356 597868995 /nfs/dbraw/zinc/86/89/95/597868995.db2.gz NTXVNSSPILMQJS-TXPKVOOTSA-N 2 2 337.508 1.772 20 0 EDADLP CO[C@@H]1COCC[C@H]1[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000880437798 597934649 /nfs/dbraw/zinc/93/46/49/597934649.db2.gz RDOBTOCOHCTTAX-WOJBJXKFSA-N 2 2 347.503 1.934 20 0 EDADLP CO[C@@H]1COCC[C@H]1[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000880437798 597934650 /nfs/dbraw/zinc/93/46/50/597934650.db2.gz RDOBTOCOHCTTAX-WOJBJXKFSA-N 2 2 347.503 1.934 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CC3CC3)cc2)CC1 ZINC000884199373 598025617 /nfs/dbraw/zinc/02/56/17/598025617.db2.gz XPEDQZIOKLUBBS-INIZCTEOSA-N 2 2 330.432 1.140 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c[nH+]1 ZINC000884340152 598074918 /nfs/dbraw/zinc/07/49/18/598074918.db2.gz DMXRSMGBZLTULS-HZPDHXFCSA-N 2 2 334.464 1.672 20 0 EDADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000882872366 598091012 /nfs/dbraw/zinc/09/10/12/598091012.db2.gz CYZSPNYATMOCNY-ZWKOTPCHSA-N 2 2 339.443 1.131 20 0 EDADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000882872366 598091013 /nfs/dbraw/zinc/09/10/13/598091013.db2.gz CYZSPNYATMOCNY-ZWKOTPCHSA-N 2 2 339.443 1.131 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939862305 699985692 /nfs/dbraw/zinc/98/56/92/699985692.db2.gz ZQIWWSJDFSWZMX-BBRMVZONSA-N 2 2 346.406 1.668 20 0 EDADLP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCCCCn1cc[nH+]c1 ZINC000914327089 695361054 /nfs/dbraw/zinc/36/10/54/695361054.db2.gz BLIMVYMFRGTOGW-HNNXBMFYSA-N 2 2 326.466 1.069 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c(C)n1 ZINC000939856578 699995375 /nfs/dbraw/zinc/99/53/75/699995375.db2.gz OQNJBITWXJTHHK-GUYCJALGSA-N 2 2 327.432 1.532 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC000939858352 699997566 /nfs/dbraw/zinc/99/75/66/699997566.db2.gz YKQSKZDQMHBVDC-VXGBXAGGSA-N 2 2 338.362 1.111 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccccn3)[C@H]2C1 ZINC000992857628 695417493 /nfs/dbraw/zinc/41/74/93/695417493.db2.gz KBXAJPMLTZURPK-BHYGNILZSA-N 2 2 339.443 1.764 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939855702 699994127 /nfs/dbraw/zinc/99/41/27/699994127.db2.gz GMKWLDJOVUZXHW-LRDDRELGSA-N 2 2 334.370 1.798 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnsn3)[C@H]2C1 ZINC000992920546 695454645 /nfs/dbraw/zinc/45/46/45/695454645.db2.gz DCPGITLQZGIQQK-QEJZJMRPSA-N 2 2 346.460 1.152 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000915137701 695748988 /nfs/dbraw/zinc/74/89/88/695748988.db2.gz ZUIQFLZBLZZYKE-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000915137701 695748991 /nfs/dbraw/zinc/74/89/91/695748991.db2.gz ZUIQFLZBLZZYKE-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)cc[nH+]1 ZINC001060560331 696002786 /nfs/dbraw/zinc/00/27/86/696002786.db2.gz SVKWSWMDVFWDRW-USXIJHARSA-N 2 2 343.475 1.918 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)cc[nH+]1 ZINC001060560331 696002788 /nfs/dbraw/zinc/00/27/88/696002788.db2.gz SVKWSWMDVFWDRW-USXIJHARSA-N 2 2 343.475 1.918 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001031259587 696071966 /nfs/dbraw/zinc/07/19/66/696071966.db2.gz FHRFRZGKIVTWKC-CABCVRRESA-N 2 2 331.460 1.898 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031259587 696071974 /nfs/dbraw/zinc/07/19/74/696071974.db2.gz FHRFRZGKIVTWKC-CABCVRRESA-N 2 2 331.460 1.898 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H]2C)o1 ZINC000994225895 696590824 /nfs/dbraw/zinc/59/08/24/696590824.db2.gz DOROFLQZWCLLCL-BBRMVZONSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H]2C)o1 ZINC000994225895 696590826 /nfs/dbraw/zinc/59/08/26/696590826.db2.gz DOROFLQZWCLLCL-BBRMVZONSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1conc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994236825 696597752 /nfs/dbraw/zinc/59/77/52/696597752.db2.gz ABSFMPJAQUZZHM-GJZGRUSLSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1conc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994236825 696597754 /nfs/dbraw/zinc/59/77/54/696597754.db2.gz ABSFMPJAQUZZHM-GJZGRUSLSA-N 2 2 332.448 1.548 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000916341989 696653138 /nfs/dbraw/zinc/65/31/38/696653138.db2.gz OJFZVQLOTCBQBD-HUUCEWRRSA-N 2 2 349.504 1.598 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000916341989 696653139 /nfs/dbraw/zinc/65/31/39/696653139.db2.gz OJFZVQLOTCBQBD-HUUCEWRRSA-N 2 2 349.504 1.598 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000994407449 696830879 /nfs/dbraw/zinc/83/08/79/696830879.db2.gz LYYYEZHFHVHCMQ-RHSMWYFYSA-N 2 2 334.439 1.786 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000994407449 696830882 /nfs/dbraw/zinc/83/08/82/696830882.db2.gz LYYYEZHFHVHCMQ-RHSMWYFYSA-N 2 2 334.439 1.786 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000994512416 696957059 /nfs/dbraw/zinc/95/70/59/696957059.db2.gz YVFWVEPPCDDETH-OCCSQVGLSA-N 2 2 326.391 1.898 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CC1CC(F)(F)C1 ZINC000994512416 696957062 /nfs/dbraw/zinc/95/70/62/696957062.db2.gz YVFWVEPPCDDETH-OCCSQVGLSA-N 2 2 326.391 1.898 20 0 EDADLP Cc1ccc(C)c(OCC[NH+]2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031385049 697004713 /nfs/dbraw/zinc/00/47/13/697004713.db2.gz SLVOKMBGQBZFIR-MRXNPFEDSA-N 2 2 331.460 1.434 20 0 EDADLP Cc1ccc(C)c(OCC[NH+]2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001031385049 697004715 /nfs/dbraw/zinc/00/47/15/697004715.db2.gz SLVOKMBGQBZFIR-MRXNPFEDSA-N 2 2 331.460 1.434 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)c1 ZINC001031432970 697094448 /nfs/dbraw/zinc/09/44/48/697094448.db2.gz AZDVSLXVJSAIDK-GOSISDBHSA-N 2 2 331.460 1.731 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)c1 ZINC001031432971 697094656 /nfs/dbraw/zinc/09/46/56/697094656.db2.gz AZDVSLXVJSAIDK-SFHVURJKSA-N 2 2 331.460 1.731 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000444792705 697155864 /nfs/dbraw/zinc/15/58/64/697155864.db2.gz FHXISFYAIOYBCK-HOCLYGCPSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000444792705 697155866 /nfs/dbraw/zinc/15/58/66/697155866.db2.gz FHXISFYAIOYBCK-HOCLYGCPSA-N 2 2 332.448 1.379 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031597375 697298229 /nfs/dbraw/zinc/29/82/29/697298229.db2.gz ZDSQJSPKPVPMKT-RDTXWAMCSA-N 2 2 347.459 1.135 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031597375 697298230 /nfs/dbraw/zinc/29/82/30/697298230.db2.gz ZDSQJSPKPVPMKT-RDTXWAMCSA-N 2 2 347.459 1.135 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000920117967 697398839 /nfs/dbraw/zinc/39/88/39/697398839.db2.gz NHPVFMPCUZGUJY-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000920117967 697398840 /nfs/dbraw/zinc/39/88/40/697398840.db2.gz NHPVFMPCUZGUJY-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000920117967 697398841 /nfs/dbraw/zinc/39/88/41/697398841.db2.gz NHPVFMPCUZGUJY-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000920117967 697398844 /nfs/dbraw/zinc/39/88/44/697398844.db2.gz NHPVFMPCUZGUJY-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669068 697464261 /nfs/dbraw/zinc/46/42/61/697464261.db2.gz XABPUJYEZSYFJF-AEFFLSMTSA-N 2 2 346.450 1.643 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669068 697464262 /nfs/dbraw/zinc/46/42/62/697464262.db2.gz XABPUJYEZSYFJF-AEFFLSMTSA-N 2 2 346.450 1.643 20 0 EDADLP COC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001031677375 697494928 /nfs/dbraw/zinc/49/49/28/697494928.db2.gz IVGDBKRGJGNVTN-HLLBOEOZSA-N 2 2 346.475 1.237 20 0 EDADLP CC(C)[N@H+]1C[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)[C@@H](C)C1 ZINC000921422656 697601805 /nfs/dbraw/zinc/60/18/05/697601805.db2.gz BLETUZATVUSCGX-JSGCOSHPSA-N 2 2 339.509 1.733 20 0 EDADLP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)[C@@H](C)C1 ZINC000921422656 697601808 /nfs/dbraw/zinc/60/18/08/697601808.db2.gz BLETUZATVUSCGX-JSGCOSHPSA-N 2 2 339.509 1.733 20 0 EDADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1ccc(O)cc1 ZINC000064344369 697656321 /nfs/dbraw/zinc/65/63/21/697656321.db2.gz CONHAFOYRGULIJ-UHFFFAOYSA-N 2 2 347.459 1.765 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943177430 697873000 /nfs/dbraw/zinc/87/30/00/697873000.db2.gz OFYKLSAIKGKWHZ-BLLLJJGKSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943177430 697873002 /nfs/dbraw/zinc/87/30/02/697873002.db2.gz OFYKLSAIKGKWHZ-BLLLJJGKSA-N 2 2 345.447 1.838 20 0 EDADLP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001031730137 698065983 /nfs/dbraw/zinc/06/59/83/698065983.db2.gz FKJOUCNVFBGZLO-QGZVFWFLSA-N 2 2 339.443 1.712 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)[NH+](C)C ZINC001060756389 698455469 /nfs/dbraw/zinc/45/54/69/698455469.db2.gz NUYVCXVYIVIXKN-JYJNAYRXSA-N 2 2 349.479 1.015 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767735 698869133 /nfs/dbraw/zinc/86/91/33/698869133.db2.gz YIWUCAVMMQKKNZ-DGCLKSJQSA-N 2 2 326.391 1.824 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767735 698869139 /nfs/dbraw/zinc/86/91/39/698869139.db2.gz YIWUCAVMMQKKNZ-DGCLKSJQSA-N 2 2 326.391 1.824 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154232 701556192 /nfs/dbraw/zinc/55/61/92/701556192.db2.gz RPZYUBYATMTQRW-HIFRSBDPSA-N 2 2 330.436 1.069 20 0 EDADLP O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031783072 699207499 /nfs/dbraw/zinc/20/74/99/699207499.db2.gz ABQMEJJJXZSBMR-AWEZNQCLSA-N 2 2 338.402 1.539 20 0 EDADLP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031783622 699211017 /nfs/dbraw/zinc/21/10/17/699211017.db2.gz CWRXZAPLHARQTK-QGZVFWFLSA-N 2 2 328.460 1.994 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001031801850 699348985 /nfs/dbraw/zinc/34/89/85/699348985.db2.gz KWCOIGGSRSEMGA-SFHVURJKSA-N 2 2 348.466 1.889 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001031801850 699348989 /nfs/dbraw/zinc/34/89/89/699348989.db2.gz KWCOIGGSRSEMGA-SFHVURJKSA-N 2 2 348.466 1.889 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939209517 699355623 /nfs/dbraw/zinc/35/56/23/699355623.db2.gz GVHGHBAKSKLLJV-MEDUHNTESA-N 2 2 334.370 1.867 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000939210818 699358842 /nfs/dbraw/zinc/35/88/42/699358842.db2.gz PXQYNZWIIZXKCC-SUMWQHHRSA-N 2 2 342.447 1.122 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cs1 ZINC000939211960 699360698 /nfs/dbraw/zinc/36/06/98/699360698.db2.gz VMVDRDMJXSXPJL-FZMZJTMJSA-N 2 2 333.461 1.608 20 0 EDADLP CCCc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cs1 ZINC000939215652 699387535 /nfs/dbraw/zinc/38/75/35/699387535.db2.gz QQRWOBIDRMKEIG-DOMZBBRYSA-N 2 2 347.488 1.998 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C)[nH]1 ZINC000939237026 699406290 /nfs/dbraw/zinc/40/62/90/699406290.db2.gz UCZIBKMMGHPYRV-GXTWGEPZSA-N 2 2 345.451 1.070 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C)o1 ZINC000939454218 699600519 /nfs/dbraw/zinc/60/05/19/699600519.db2.gz QRUFUYZZXXRFHZ-BBRMVZONSA-N 2 2 349.479 1.435 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCc1cccs1 ZINC000939536291 699677360 /nfs/dbraw/zinc/67/73/60/699677360.db2.gz VKDFOQKADAFXAZ-CZUORRHYSA-N 2 2 332.473 1.703 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1nccs1 ZINC000939643518 699783815 /nfs/dbraw/zinc/78/38/15/699783815.db2.gz UPMDLGFBZYPEFF-GXTWGEPZSA-N 2 2 333.461 1.446 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)o1 ZINC000939755878 699900399 /nfs/dbraw/zinc/90/03/99/699900399.db2.gz RHUWKFPFQZPCNY-KGLIPLIRSA-N 2 2 335.452 1.225 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)n1 ZINC000939754612 699904879 /nfs/dbraw/zinc/90/48/79/699904879.db2.gz NPZLQNHTXQPMOP-UONOGXRCSA-N 2 2 335.452 1.054 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](Cc4ccsc4)C3)CC2)C1 ZINC000941666171 701620730 /nfs/dbraw/zinc/62/07/30/701620730.db2.gz OYRPSZPFQBPMTQ-MRXNPFEDSA-N 2 2 348.516 1.028 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](Cc4ccsc4)C3)CC2)C1 ZINC000941666171 701620731 /nfs/dbraw/zinc/62/07/31/701620731.db2.gz OYRPSZPFQBPMTQ-MRXNPFEDSA-N 2 2 348.516 1.028 20 0 EDADLP CC1([NH2+]Cc2ccns2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940242966 700403852 /nfs/dbraw/zinc/40/38/52/700403852.db2.gz ARGLWXIEXPDIEO-UHFFFAOYSA-N 2 2 333.461 1.901 20 0 EDADLP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000940321193 700497267 /nfs/dbraw/zinc/49/72/67/700497267.db2.gz AFMBMTUUZZRTPU-CQSZACIVSA-N 2 2 343.431 1.989 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1)n1cc[nH+]c1 ZINC000940357077 700518830 /nfs/dbraw/zinc/51/88/30/700518830.db2.gz BKNKCGFVBFCKLS-AWEZNQCLSA-N 2 2 345.451 1.134 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995169316 701647532 /nfs/dbraw/zinc/64/75/32/701647532.db2.gz PRVLEVVMGNPITO-HOTGVXAUSA-N 2 2 341.459 1.741 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397340 700594404 /nfs/dbraw/zinc/59/44/04/700594404.db2.gz KMOBMDJGEPQCMH-KBXCAEBGSA-N 2 2 332.448 1.350 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)O1 ZINC000940425984 700619230 /nfs/dbraw/zinc/61/92/30/700619230.db2.gz ARNBPPUSKAIWNG-ZBFHGGJFSA-N 2 2 334.464 1.501 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC000940426353 700620072 /nfs/dbraw/zinc/62/00/72/700620072.db2.gz REKJHNZOJDKNHK-CVEARBPZSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2nccc(C)n2)CC1 ZINC000940441354 700642661 /nfs/dbraw/zinc/64/26/61/700642661.db2.gz FMLJWAYJIQRTJF-UHFFFAOYSA-N 2 2 342.447 1.530 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482727 700670663 /nfs/dbraw/zinc/67/06/63/700670663.db2.gz NPAMLWAKFMLUBO-MAUKXSAKSA-N 2 2 332.448 1.280 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000995171109 701668276 /nfs/dbraw/zinc/66/82/76/701668276.db2.gz VHUSWWUJVZOESQ-HUUCEWRRSA-N 2 2 327.432 1.432 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C/C=C\Cl)CC2(C)C)C1 ZINC000940647514 700809743 /nfs/dbraw/zinc/80/97/43/700809743.db2.gz QFGMZFDMNRZCHE-WFVZMWEJSA-N 2 2 329.872 1.286 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C/C=C\Cl)CC2(C)C)C1 ZINC000940647514 700809745 /nfs/dbraw/zinc/80/97/45/700809745.db2.gz QFGMZFDMNRZCHE-WFVZMWEJSA-N 2 2 329.872 1.286 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C/C=C\Cl)CC2(C)C)C1 ZINC000940647514 700809746 /nfs/dbraw/zinc/80/97/46/700809746.db2.gz QFGMZFDMNRZCHE-WFVZMWEJSA-N 2 2 329.872 1.286 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)CC2(C)C)C1 ZINC000940647514 700809748 /nfs/dbraw/zinc/80/97/48/700809748.db2.gz QFGMZFDMNRZCHE-WFVZMWEJSA-N 2 2 329.872 1.286 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCO)CC3(C)C)ccn12 ZINC000940745708 700872284 /nfs/dbraw/zinc/87/22/84/700872284.db2.gz STYZTYSTJSGAFK-OAHLLOKOSA-N 2 2 330.432 1.465 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCO)CC3(C)C)ccn12 ZINC000940745708 700872286 /nfs/dbraw/zinc/87/22/86/700872286.db2.gz STYZTYSTJSGAFK-OAHLLOKOSA-N 2 2 330.432 1.465 20 0 EDADLP CC1(C)C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000940744750 700882830 /nfs/dbraw/zinc/88/28/30/700882830.db2.gz LHEUBMZCPJGGNG-DLBZAZTESA-N 2 2 346.475 1.733 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000940744750 700882832 /nfs/dbraw/zinc/88/28/32/700882832.db2.gz LHEUBMZCPJGGNG-DLBZAZTESA-N 2 2 346.475 1.733 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)O)CC2(C)C)c[nH+]1 ZINC000940836305 700934281 /nfs/dbraw/zinc/93/42/81/700934281.db2.gz IMIUROXOSRDQMC-HUUCEWRRSA-N 2 2 336.480 1.524 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)O)CC2(C)C)c[nH+]1 ZINC000940836305 700934283 /nfs/dbraw/zinc/93/42/83/700934283.db2.gz IMIUROXOSRDQMC-HUUCEWRRSA-N 2 2 336.480 1.524 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000940842421 700938739 /nfs/dbraw/zinc/93/87/39/700938739.db2.gz GIPRBMDUYIWRBN-HOTGVXAUSA-N 2 2 345.491 1.678 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000940842421 700938741 /nfs/dbraw/zinc/93/87/41/700938741.db2.gz GIPRBMDUYIWRBN-HOTGVXAUSA-N 2 2 345.491 1.678 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000940842421 700938743 /nfs/dbraw/zinc/93/87/43/700938743.db2.gz GIPRBMDUYIWRBN-HOTGVXAUSA-N 2 2 345.491 1.678 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000940842421 700938744 /nfs/dbraw/zinc/93/87/44/700938744.db2.gz GIPRBMDUYIWRBN-HOTGVXAUSA-N 2 2 345.491 1.678 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCF)CC2(C)C)C1 ZINC000940972648 701014829 /nfs/dbraw/zinc/01/48/29/701014829.db2.gz OTWAHODRTSKTAC-CABCVRRESA-N 2 2 329.460 1.282 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCF)CC2(C)C)C1 ZINC000940972648 701014823 /nfs/dbraw/zinc/01/48/23/701014823.db2.gz OTWAHODRTSKTAC-CABCVRRESA-N 2 2 329.460 1.282 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCF)CC2(C)C)C1 ZINC000940972648 701014825 /nfs/dbraw/zinc/01/48/25/701014825.db2.gz OTWAHODRTSKTAC-CABCVRRESA-N 2 2 329.460 1.282 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCF)CC2(C)C)C1 ZINC000940972648 701014827 /nfs/dbraw/zinc/01/48/27/701014827.db2.gz OTWAHODRTSKTAC-CABCVRRESA-N 2 2 329.460 1.282 20 0 EDADLP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920793 701059520 /nfs/dbraw/zinc/05/95/20/701059520.db2.gz RPZKDMOYUVRQGR-MAUKXSAKSA-N 2 2 337.508 1.724 20 0 EDADLP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920793 701059522 /nfs/dbraw/zinc/05/95/22/701059522.db2.gz RPZKDMOYUVRQGR-MAUKXSAKSA-N 2 2 337.508 1.724 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941042191 701097421 /nfs/dbraw/zinc/09/74/21/701097421.db2.gz YMOUZGLCBNVKOI-IIAWOOMASA-N 2 2 334.464 1.123 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941042191 701097423 /nfs/dbraw/zinc/09/74/23/701097423.db2.gz YMOUZGLCBNVKOI-IIAWOOMASA-N 2 2 334.464 1.123 20 0 EDADLP CC1(C)CO[C@@H](C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000941061053 701108026 /nfs/dbraw/zinc/10/80/26/701108026.db2.gz KPFNNOITSKZMNR-CVEARBPZSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@@H](C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000941061053 701108028 /nfs/dbraw/zinc/10/80/28/701108028.db2.gz KPFNNOITSKZMNR-CVEARBPZSA-N 2 2 348.491 1.984 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)CC1(C)C ZINC000941165756 701376732 /nfs/dbraw/zinc/37/67/32/701376732.db2.gz CAJOUZLAZTUCTP-KRWDZBQOSA-N 2 2 341.459 1.775 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)CC1(C)C ZINC000941165756 701376734 /nfs/dbraw/zinc/37/67/34/701376734.db2.gz CAJOUZLAZTUCTP-KRWDZBQOSA-N 2 2 341.459 1.775 20 0 EDADLP CC1(C)C[N@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166856 701377592 /nfs/dbraw/zinc/37/75/92/701377592.db2.gz JQKAPRSNKRWVDI-HNNXBMFYSA-N 2 2 343.475 1.289 20 0 EDADLP CC1(C)C[N@@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166856 701377593 /nfs/dbraw/zinc/37/75/93/701377593.db2.gz JQKAPRSNKRWVDI-HNNXBMFYSA-N 2 2 343.475 1.289 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCCCO2)CC1(C)C ZINC000941167031 701378066 /nfs/dbraw/zinc/37/80/66/701378066.db2.gz PBOAJRMYCSZOBQ-SJORKVTESA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCCO2)CC1(C)C ZINC000941167031 701378067 /nfs/dbraw/zinc/37/80/67/701378067.db2.gz PBOAJRMYCSZOBQ-SJORKVTESA-N 2 2 348.491 1.748 20 0 EDADLP Cc1noc(C)c1C[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031932210 701383982 /nfs/dbraw/zinc/38/39/82/701383982.db2.gz XUJPHOAWHZCIOC-UHFFFAOYSA-N 2 2 346.431 1.808 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941217986 701399444 /nfs/dbraw/zinc/39/94/44/701399444.db2.gz VEMWAPIFVYNNFC-GJZGRUSLSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941217986 701399446 /nfs/dbraw/zinc/39/94/46/701399446.db2.gz VEMWAPIFVYNNFC-GJZGRUSLSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217986 701399448 /nfs/dbraw/zinc/39/94/48/701399448.db2.gz VEMWAPIFVYNNFC-GJZGRUSLSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217986 701399450 /nfs/dbraw/zinc/39/94/50/701399450.db2.gz VEMWAPIFVYNNFC-GJZGRUSLSA-N 2 2 334.464 1.651 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cscn3)CC2(C)C)C1 ZINC000941221222 701411793 /nfs/dbraw/zinc/41/17/93/701411793.db2.gz NRFKYTISRUOTDL-UKRRQHHQSA-N 2 2 336.505 1.812 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cscn3)CC2(C)C)C1 ZINC000941221222 701411795 /nfs/dbraw/zinc/41/17/95/701411795.db2.gz NRFKYTISRUOTDL-UKRRQHHQSA-N 2 2 336.505 1.812 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)CC2(C)C)C1 ZINC000941221222 701411796 /nfs/dbraw/zinc/41/17/96/701411796.db2.gz NRFKYTISRUOTDL-UKRRQHHQSA-N 2 2 336.505 1.812 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)CC2(C)C)C1 ZINC000941221222 701411797 /nfs/dbraw/zinc/41/17/97/701411797.db2.gz NRFKYTISRUOTDL-UKRRQHHQSA-N 2 2 336.505 1.812 20 0 EDADLP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941252891 701422767 /nfs/dbraw/zinc/42/27/67/701422767.db2.gz NDYRQHUPHFNFEV-OAHLLOKOSA-N 2 2 330.436 1.034 20 0 EDADLP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941252891 701422769 /nfs/dbraw/zinc/42/27/69/701422769.db2.gz NDYRQHUPHFNFEV-OAHLLOKOSA-N 2 2 330.436 1.034 20 0 EDADLP CC1(C)C[N@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247669 701424464 /nfs/dbraw/zinc/42/44/64/701424464.db2.gz OXPXJOOEPMDTMA-HNNXBMFYSA-N 2 2 347.488 1.799 20 0 EDADLP CC1(C)C[N@@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247669 701424465 /nfs/dbraw/zinc/42/44/65/701424465.db2.gz OXPXJOOEPMDTMA-HNNXBMFYSA-N 2 2 347.488 1.799 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941248026 701424857 /nfs/dbraw/zinc/42/48/57/701424857.db2.gz UKRSTPQRFWOKDX-MRXNPFEDSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941248026 701424858 /nfs/dbraw/zinc/42/48/58/701424858.db2.gz UKRSTPQRFWOKDX-MRXNPFEDSA-N 2 2 342.447 1.398 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC001031948335 701514010 /nfs/dbraw/zinc/51/40/10/701514010.db2.gz VHXFACDNKZQSMF-UHFFFAOYSA-N 2 2 337.414 1.855 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001032128854 701801434 /nfs/dbraw/zinc/80/14/34/701801434.db2.gz LWOAMQDQTQVSSU-CABCVRRESA-N 2 2 336.505 1.812 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001032128946 701803663 /nfs/dbraw/zinc/80/36/63/701803663.db2.gz MLJYMPGRLYKCQY-WMZOPIPTSA-N 2 2 348.466 1.889 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995175711 701804281 /nfs/dbraw/zinc/80/42/81/701804281.db2.gz AEQUWQZARDUNIT-GJZGRUSLSA-N 2 2 344.463 1.552 20 0 EDADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1)n1cc[nH+]c1 ZINC001032656590 706616672 /nfs/dbraw/zinc/61/66/72/706616672.db2.gz HBZWKLKFKHMNHA-PMPSAXMXSA-N 2 2 328.420 1.016 20 0 EDADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1)n1cc[nH+]c1 ZINC001032656590 706616676 /nfs/dbraw/zinc/61/66/76/706616676.db2.gz HBZWKLKFKHMNHA-PMPSAXMXSA-N 2 2 328.420 1.016 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944101164 702214361 /nfs/dbraw/zinc/21/43/61/702214361.db2.gz VXRGPZRCFCJRQV-DOMZBBRYSA-N 2 2 340.418 1.835 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944101164 702214365 /nfs/dbraw/zinc/21/43/65/702214365.db2.gz VXRGPZRCFCJRQV-DOMZBBRYSA-N 2 2 340.418 1.835 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)n1 ZINC000995889550 702230065 /nfs/dbraw/zinc/23/00/65/702230065.db2.gz WCPQCCGVYMYLEC-OCCSQVGLSA-N 2 2 349.479 1.750 20 0 EDADLP C[C@H]1C[N@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099199 702269089 /nfs/dbraw/zinc/26/90/89/702269089.db2.gz PSUCNYFHUHFIHE-SUMWQHHRSA-N 2 2 345.422 1.524 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944099199 702269095 /nfs/dbraw/zinc/26/90/95/702269095.db2.gz PSUCNYFHUHFIHE-SUMWQHHRSA-N 2 2 345.422 1.524 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995965468 702311687 /nfs/dbraw/zinc/31/16/87/702311687.db2.gz CFZHVGNJUHLNBJ-KGLIPLIRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995965468 702311694 /nfs/dbraw/zinc/31/16/94/702311694.db2.gz CFZHVGNJUHLNBJ-KGLIPLIRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC000995191855 702330783 /nfs/dbraw/zinc/33/07/83/702330783.db2.gz BCQCPSYYPUGSEZ-HUUCEWRRSA-N 2 2 328.420 1.056 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031987165 702413302 /nfs/dbraw/zinc/41/33/02/702413302.db2.gz VYOCBOQULIFBFH-GVDBMIGSSA-N 2 2 346.475 1.531 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2coc(C)n2)C(C)(C)C1 ZINC000996043637 702461913 /nfs/dbraw/zinc/46/19/13/702461913.db2.gz OUQTYNBIUPZMCF-OAHLLOKOSA-N 2 2 331.420 1.515 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1[NH2+]CCF ZINC000996090184 702499670 /nfs/dbraw/zinc/49/96/70/702499670.db2.gz KTOVKZSTHSUUMB-CVEARBPZSA-N 2 2 341.471 1.283 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1[NH2+]CCF ZINC000996090184 702499674 /nfs/dbraw/zinc/49/96/74/702499674.db2.gz KTOVKZSTHSUUMB-CVEARBPZSA-N 2 2 341.471 1.283 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1 ZINC000996076819 702525202 /nfs/dbraw/zinc/52/52/02/702525202.db2.gz VGZDOJCVJMXYEF-CVEARBPZSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996106621 702567038 /nfs/dbraw/zinc/56/70/38/702567038.db2.gz OICNOFNZXRCOHY-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)n1 ZINC000996246109 702649759 /nfs/dbraw/zinc/64/97/59/702649759.db2.gz JTEWQHXORQIMQX-UKRRQHHQSA-N 2 2 337.468 1.291 20 0 EDADLP COc1ccnc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)c1 ZINC000996461119 702789246 /nfs/dbraw/zinc/78/92/46/702789246.db2.gz MAKRPBZJAGITNM-HNNXBMFYSA-N 2 2 343.431 1.383 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)ccn1 ZINC000996459592 702803987 /nfs/dbraw/zinc/80/39/87/702803987.db2.gz CWSMOAXWTJKLPU-CQSZACIVSA-N 2 2 343.431 1.383 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996512147 702831262 /nfs/dbraw/zinc/83/12/62/702831262.db2.gz BIPCYURGERBNNC-OAHLLOKOSA-N 2 2 331.420 1.286 20 0 EDADLP CCc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC000995231436 702843834 /nfs/dbraw/zinc/84/38/34/702843834.db2.gz BELYENLGBAYDGF-HUUCEWRRSA-N 2 2 345.447 1.817 20 0 EDADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C)c1cnccn1 ZINC000996516400 702852111 /nfs/dbraw/zinc/85/21/11/702852111.db2.gz YTJDVKACMXBJQO-XJKSGUPXSA-N 2 2 342.447 1.340 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000996564479 702885631 /nfs/dbraw/zinc/88/56/31/702885631.db2.gz UFTQHRZUXVCDIL-INIZCTEOSA-N 2 2 345.422 1.822 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996611298 702916507 /nfs/dbraw/zinc/91/65/07/702916507.db2.gz LXECJVKFKUDOAK-HNNXBMFYSA-N 2 2 331.420 1.515 20 0 EDADLP CCc1nocc1C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996650203 702939809 /nfs/dbraw/zinc/93/98/09/702939809.db2.gz HDIXGSKJNJYNNS-UHFFFAOYSA-N 2 2 331.420 1.674 20 0 EDADLP CCc1nocc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996650203 702939811 /nfs/dbraw/zinc/93/98/11/702939811.db2.gz HDIXGSKJNJYNNS-UHFFFAOYSA-N 2 2 331.420 1.674 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996653039 702942731 /nfs/dbraw/zinc/94/27/31/702942731.db2.gz XPWMLZHWEQTTRO-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996653039 702942732 /nfs/dbraw/zinc/94/27/32/702942732.db2.gz XPWMLZHWEQTTRO-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000995255739 703000503 /nfs/dbraw/zinc/00/05/03/703000503.db2.gz XKWRSSNCKHLGRA-SJORKVTESA-N 2 2 342.443 1.966 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)c(C)s1 ZINC000996714674 703009601 /nfs/dbraw/zinc/00/96/01/703009601.db2.gz MCGAQQYOYQVGET-HNNXBMFYSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)n1 ZINC000942517826 703011849 /nfs/dbraw/zinc/01/18/49/703011849.db2.gz HCDJWTPLWXJDPZ-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)n1 ZINC000942517826 703011851 /nfs/dbraw/zinc/01/18/51/703011851.db2.gz HCDJWTPLWXJDPZ-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996735252 703031569 /nfs/dbraw/zinc/03/15/69/703031569.db2.gz ASKJXJMVDFYXEW-WBVHZDCISA-N 2 2 346.475 1.595 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000942555419 703068982 /nfs/dbraw/zinc/06/89/82/703068982.db2.gz JWZWANUIYDEHSF-DZGCQCFKSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000942555419 703068984 /nfs/dbraw/zinc/06/89/84/703068984.db2.gz JWZWANUIYDEHSF-DZGCQCFKSA-N 2 2 349.479 1.579 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC3(CC3)CC2)C1 ZINC001032331732 703112897 /nfs/dbraw/zinc/11/28/97/703112897.db2.gz IUDCRADBLWCMRW-BZSNNMDCSA-N 2 2 347.503 1.573 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC3(CC3)CC2)C1 ZINC001032331732 703112900 /nfs/dbraw/zinc/11/29/00/703112900.db2.gz IUDCRADBLWCMRW-BZSNNMDCSA-N 2 2 347.503 1.573 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC3(CC3)CC2)C1 ZINC001032331732 703112903 /nfs/dbraw/zinc/11/29/03/703112903.db2.gz IUDCRADBLWCMRW-BZSNNMDCSA-N 2 2 347.503 1.573 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC3(CC3)CC2)C1 ZINC001032331732 703112904 /nfs/dbraw/zinc/11/29/04/703112904.db2.gz IUDCRADBLWCMRW-BZSNNMDCSA-N 2 2 347.503 1.573 20 0 EDADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C(F)(F)F ZINC000996823863 703114299 /nfs/dbraw/zinc/11/42/99/703114299.db2.gz SHNVTVCOWOYAON-RYUDHWBXSA-N 2 2 332.370 1.977 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000997043540 703296099 /nfs/dbraw/zinc/29/60/99/703296099.db2.gz ZIHMNMWUMOJNFI-UHFFFAOYSA-N 2 2 328.416 1.742 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1)c1nncn1C ZINC000997047468 703301019 /nfs/dbraw/zinc/30/10/19/703301019.db2.gz YJZTVWXLBKFTCI-UONOGXRCSA-N 2 2 345.451 1.305 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997065625 703309888 /nfs/dbraw/zinc/30/98/88/703309888.db2.gz SUVXVQUMLZEPIQ-UHFFFAOYSA-N 2 2 342.447 1.577 20 0 EDADLP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997083744 703321934 /nfs/dbraw/zinc/32/19/34/703321934.db2.gz IPLLARUNHSBAGG-ZDUSSCGKSA-N 2 2 345.447 1.920 20 0 EDADLP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997083744 703321936 /nfs/dbraw/zinc/32/19/36/703321936.db2.gz IPLLARUNHSBAGG-ZDUSSCGKSA-N 2 2 345.447 1.920 20 0 EDADLP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)CC1 ZINC001032699849 706737230 /nfs/dbraw/zinc/73/72/30/706737230.db2.gz ZVYNPULRTXCMSP-ROUUACIJSA-N 2 2 342.487 1.907 20 0 EDADLP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)CC1 ZINC001032699849 706737232 /nfs/dbraw/zinc/73/72/32/706737232.db2.gz ZVYNPULRTXCMSP-ROUUACIJSA-N 2 2 342.487 1.907 20 0 EDADLP O=C(N1CCC([NH2+]CC2CCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000997139138 703400274 /nfs/dbraw/zinc/40/02/74/703400274.db2.gz FQQVUDYHEOIBPY-UHFFFAOYSA-N 2 2 335.492 1.622 20 0 EDADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000997147337 703407989 /nfs/dbraw/zinc/40/79/89/703407989.db2.gz WNQMNFTUVRGLOT-CQSZACIVSA-N 2 2 328.416 1.447 20 0 EDADLP CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001032409756 703440592 /nfs/dbraw/zinc/44/05/92/703440592.db2.gz ZFDZRLKAZBVFCG-LTIDMASMSA-N 2 2 328.460 1.847 20 0 EDADLP CC(C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001032409756 703440596 /nfs/dbraw/zinc/44/05/96/703440596.db2.gz ZFDZRLKAZBVFCG-LTIDMASMSA-N 2 2 328.460 1.847 20 0 EDADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000997179102 703463056 /nfs/dbraw/zinc/46/30/56/703463056.db2.gz XLZLTMUHNCKHMK-NEPJUHHUSA-N 2 2 343.431 1.267 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997182211 703467393 /nfs/dbraw/zinc/46/73/93/703467393.db2.gz GKHOCDLGSZINAG-UHFFFAOYSA-N 2 2 333.461 1.242 20 0 EDADLP Cc1ncsc1CC[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997179891 703469908 /nfs/dbraw/zinc/46/99/08/703469908.db2.gz LVQJOCSIPUUYLW-UHFFFAOYSA-N 2 2 347.488 1.551 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000997189166 703479449 /nfs/dbraw/zinc/47/94/49/703479449.db2.gz XZIOPDAGZNUHIA-UHFFFAOYSA-N 2 2 346.460 1.394 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)n[nH]1 ZINC001032416827 703489068 /nfs/dbraw/zinc/48/90/68/703489068.db2.gz NBNWGTXHGSGAPH-XEZPLFJOSA-N 2 2 335.427 1.435 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)n[nH]1 ZINC001032416827 703489069 /nfs/dbraw/zinc/48/90/69/703489069.db2.gz NBNWGTXHGSGAPH-XEZPLFJOSA-N 2 2 335.427 1.435 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)n[nH]1 ZINC001032416827 703489070 /nfs/dbraw/zinc/48/90/70/703489070.db2.gz NBNWGTXHGSGAPH-XEZPLFJOSA-N 2 2 335.427 1.435 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)n[nH]1 ZINC001032416827 703489071 /nfs/dbraw/zinc/48/90/71/703489071.db2.gz NBNWGTXHGSGAPH-XEZPLFJOSA-N 2 2 335.427 1.435 20 0 EDADLP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997218395 703496562 /nfs/dbraw/zinc/49/65/62/703496562.db2.gz BDNYYYDEUNKCAF-ZIAGYGMSSA-N 2 2 330.432 1.545 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2nccc(C)n2)CC1 ZINC000997210468 703510144 /nfs/dbraw/zinc/51/01/44/703510144.db2.gz KEFMEZIFPJKZBG-UHFFFAOYSA-N 2 2 328.420 1.140 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000997236318 703523314 /nfs/dbraw/zinc/52/33/14/703523314.db2.gz KZGXFIPGRJYWME-DNVCBOLYSA-N 2 2 346.475 1.360 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000997288671 703550379 /nfs/dbraw/zinc/55/03/79/703550379.db2.gz BOCHLUDNVZPPLQ-CYBMUJFWSA-N 2 2 348.495 1.172 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccns2)CCC1 ZINC001032444141 703621016 /nfs/dbraw/zinc/62/10/16/703621016.db2.gz MWLKWWDBNUWMRY-KBPBESRZSA-N 2 2 334.489 1.455 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccns2)CCC1 ZINC001032444141 703621018 /nfs/dbraw/zinc/62/10/18/703621018.db2.gz MWLKWWDBNUWMRY-KBPBESRZSA-N 2 2 334.489 1.455 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)o1 ZINC001032444221 703621398 /nfs/dbraw/zinc/62/13/98/703621398.db2.gz QIJNCNLJMNYLHA-GJZGRUSLSA-N 2 2 332.448 1.561 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)o1 ZINC001032444221 703621399 /nfs/dbraw/zinc/62/13/99/703621399.db2.gz QIJNCNLJMNYLHA-GJZGRUSLSA-N 2 2 332.448 1.561 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032459524 703639508 /nfs/dbraw/zinc/63/95/08/703639508.db2.gz FMQFQBIGXWHYCC-MPGHIAIKSA-N 2 2 348.491 1.917 20 0 EDADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032459524 703639509 /nfs/dbraw/zinc/63/95/09/703639509.db2.gz FMQFQBIGXWHYCC-MPGHIAIKSA-N 2 2 348.491 1.917 20 0 EDADLP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001032479618 703713839 /nfs/dbraw/zinc/71/38/39/703713839.db2.gz PQJKXEHMECAIHM-BZSNNMDCSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001032479618 703713840 /nfs/dbraw/zinc/71/38/40/703713840.db2.gz PQJKXEHMECAIHM-BZSNNMDCSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001032479618 703713841 /nfs/dbraw/zinc/71/38/41/703713841.db2.gz PQJKXEHMECAIHM-BZSNNMDCSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001032479618 703713842 /nfs/dbraw/zinc/71/38/42/703713842.db2.gz PQJKXEHMECAIHM-BZSNNMDCSA-N 2 2 328.460 1.659 20 0 EDADLP Cn1c[nH+]cc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001032500519 703815921 /nfs/dbraw/zinc/81/59/21/703815921.db2.gz YTVMYXVGGLYYCZ-HOTGVXAUSA-N 2 2 336.399 1.167 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069795 704097988 /nfs/dbraw/zinc/09/79/88/704097988.db2.gz LAHIQEHNUXBDOL-SJLPKXTDSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069795 704097991 /nfs/dbraw/zinc/09/79/91/704097991.db2.gz LAHIQEHNUXBDOL-SJLPKXTDSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033069795 704097994 /nfs/dbraw/zinc/09/79/94/704097994.db2.gz LAHIQEHNUXBDOL-SJLPKXTDSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033069795 704097997 /nfs/dbraw/zinc/09/79/97/704097997.db2.gz LAHIQEHNUXBDOL-SJLPKXTDSA-N 2 2 345.491 1.691 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)O1 ZINC000997732073 704623414 /nfs/dbraw/zinc/62/34/14/704623414.db2.gz BNFUJCXDMLCMMB-GDBMZVCRSA-N 2 2 334.464 1.738 20 0 EDADLP Cn1ccc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000997733498 704630155 /nfs/dbraw/zinc/63/01/55/704630155.db2.gz HFNRPQNTUIZESE-UHFFFAOYSA-N 2 2 330.436 1.104 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997737673 704634912 /nfs/dbraw/zinc/63/49/12/704634912.db2.gz KTOZGBNQRUAWNT-UHFFFAOYSA-N 2 2 327.432 1.766 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CCO1 ZINC000997818004 704734947 /nfs/dbraw/zinc/73/49/47/704734947.db2.gz RMWSOGDWYRLCNG-DOTOQJQBSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CCO1 ZINC000997818004 704734949 /nfs/dbraw/zinc/73/49/49/704734949.db2.gz RMWSOGDWYRLCNG-DOTOQJQBSA-N 2 2 348.491 1.986 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000997866446 704773160 /nfs/dbraw/zinc/77/31/60/704773160.db2.gz SRILQAPQXVMQJY-OAHLLOKOSA-N 2 2 349.479 1.445 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000997866446 704773162 /nfs/dbraw/zinc/77/31/62/704773162.db2.gz SRILQAPQXVMQJY-OAHLLOKOSA-N 2 2 349.479 1.445 20 0 EDADLP CC[NH+]1CCN(c2ccc(CNC(=O)Cn3cc[nH+]c3)cc2F)CC1 ZINC000073455980 704798355 /nfs/dbraw/zinc/79/83/55/704798355.db2.gz LGPSWLCCJIDCIC-UHFFFAOYSA-N 2 2 345.422 1.481 20 0 EDADLP C[C@H]1C[N@H+](Cc2cc3n(n2)CCC3)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945898 704798884 /nfs/dbraw/zinc/79/88/84/704798884.db2.gz UCPOACCFUXSJQU-YJBOKZPZSA-N 2 2 345.491 1.252 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cc3n(n2)CCC3)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945898 704798886 /nfs/dbraw/zinc/79/88/86/704798886.db2.gz UCPOACCFUXSJQU-YJBOKZPZSA-N 2 2 345.491 1.252 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)CCc3[nH+]ccn3C)CC2)co1 ZINC000997928210 705032378 /nfs/dbraw/zinc/03/23/78/705032378.db2.gz DXGHBXDZNAVQJG-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998043324 705238590 /nfs/dbraw/zinc/23/85/90/705238590.db2.gz XXKDWOSZBABRFJ-ARFHVFGLSA-N 2 2 334.464 1.863 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998043324 705238595 /nfs/dbraw/zinc/23/85/95/705238595.db2.gz XXKDWOSZBABRFJ-ARFHVFGLSA-N 2 2 334.464 1.863 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998043324 705238597 /nfs/dbraw/zinc/23/85/97/705238597.db2.gz XXKDWOSZBABRFJ-ARFHVFGLSA-N 2 2 334.464 1.863 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998043324 705238601 /nfs/dbraw/zinc/23/86/01/705238601.db2.gz XXKDWOSZBABRFJ-ARFHVFGLSA-N 2 2 334.464 1.863 20 0 EDADLP CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998044571 705239674 /nfs/dbraw/zinc/23/96/74/705239674.db2.gz HWJZVRWWCQLZNC-DLBZAZTESA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998044571 705239679 /nfs/dbraw/zinc/23/96/79/705239679.db2.gz HWJZVRWWCQLZNC-DLBZAZTESA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998052143 705255074 /nfs/dbraw/zinc/25/50/74/705255074.db2.gz OFJNZTLTWQKKMJ-DLBZAZTESA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998052143 705255077 /nfs/dbraw/zinc/25/50/77/705255077.db2.gz OFJNZTLTWQKKMJ-DLBZAZTESA-N 2 2 348.491 1.531 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998071623 705289273 /nfs/dbraw/zinc/28/92/73/705289273.db2.gz JFCTZIRZZXJBAS-CQSZACIVSA-N 2 2 344.419 1.241 20 0 EDADLP Cc1ncsc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000998115208 705366291 /nfs/dbraw/zinc/36/62/91/705366291.db2.gz NNFLUUIIBHTXQX-UHFFFAOYSA-N 2 2 333.461 1.746 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000998183421 705482941 /nfs/dbraw/zinc/48/29/41/705482941.db2.gz OGFIQCUAHAPNPD-CRAIPNDOSA-N 2 2 332.448 1.207 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC000998222680 705548976 /nfs/dbraw/zinc/54/89/76/705548976.db2.gz JPTNUYWVXFSZOW-CQSZACIVSA-N 2 2 345.447 1.848 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001032612019 705586183 /nfs/dbraw/zinc/58/61/83/705586183.db2.gz SXSFHEJZFLVJMH-RLFYNMQTSA-N 2 2 348.491 1.917 20 0 EDADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001032612019 705586187 /nfs/dbraw/zinc/58/61/87/705586187.db2.gz SXSFHEJZFLVJMH-RLFYNMQTSA-N 2 2 348.491 1.917 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032629819 705755615 /nfs/dbraw/zinc/75/56/15/705755615.db2.gz MJUHLFHCPJVNPE-KBPBESRZSA-N 2 2 336.411 1.529 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032629819 705755616 /nfs/dbraw/zinc/75/56/16/705755616.db2.gz MJUHLFHCPJVNPE-KBPBESRZSA-N 2 2 336.411 1.529 20 0 EDADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC([NH2+]Cc2ccon2)C1 ZINC000998806153 706234744 /nfs/dbraw/zinc/23/47/44/706234744.db2.gz SLHJXNWWVSKQOM-UHFFFAOYSA-N 2 2 343.431 1.529 20 0 EDADLP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)o1 ZINC000999008394 706428321 /nfs/dbraw/zinc/42/83/21/706428321.db2.gz XANSHCMXVPVMEF-NFOMZHRRSA-N 2 2 343.431 1.521 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999042969 706483815 /nfs/dbraw/zinc/48/38/15/706483815.db2.gz HBMRCWUSHRZZSX-IAGOWNOFSA-N 2 2 348.491 1.864 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999373699 706868415 /nfs/dbraw/zinc/86/84/15/706868415.db2.gz QYJSQNRFISFGMT-PBHICJAKSA-N 2 2 349.479 1.443 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1)C1CC1 ZINC000999377851 706872167 /nfs/dbraw/zinc/87/21/67/706872167.db2.gz XDCWQCYONRCSIP-GOEBONIOSA-N 2 2 346.479 1.103 20 0 EDADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC000999362385 706875679 /nfs/dbraw/zinc/87/56/79/706875679.db2.gz ABTLMXITNWQASD-UONOGXRCSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC000999362385 706875681 /nfs/dbraw/zinc/87/56/81/706875681.db2.gz ABTLMXITNWQASD-UONOGXRCSA-N 2 2 349.479 1.758 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000999495909 707032641 /nfs/dbraw/zinc/03/26/41/707032641.db2.gz MFHPPYBSBKIZRP-GDBMZVCRSA-N 2 2 333.432 1.250 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999561764 707058883 /nfs/dbraw/zinc/05/88/83/707058883.db2.gz OJHUZUDLZXWXDE-AWEZNQCLSA-N 2 2 347.419 1.427 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([NH2+]Cc2nncs2)C1 ZINC000999703221 707234311 /nfs/dbraw/zinc/23/43/11/707234311.db2.gz CMGCEHSPRMVRHC-ZDUSSCGKSA-N 2 2 342.428 1.580 20 0 EDADLP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000999687008 707240055 /nfs/dbraw/zinc/24/00/55/707240055.db2.gz DBVRKIWXSWGHDO-UHFFFAOYSA-N 2 2 342.443 1.750 20 0 EDADLP CCc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999726665 707269039 /nfs/dbraw/zinc/26/90/39/707269039.db2.gz ORKWRPYXFXWEFR-UONOGXRCSA-N 2 2 346.435 1.479 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000999775672 707335195 /nfs/dbraw/zinc/33/51/95/707335195.db2.gz MFKFAWKPJULWAF-AQFXKWCLSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999776893 707336367 /nfs/dbraw/zinc/33/63/67/707336367.db2.gz PSMJAZYCZTWIQW-HZPDHXFCSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC000999837839 707409104 /nfs/dbraw/zinc/40/91/04/707409104.db2.gz SXMKKTOXMCHSRJ-MRXNPFEDSA-N 2 2 328.420 1.152 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)ccn1 ZINC001033199431 707447994 /nfs/dbraw/zinc/44/79/94/707447994.db2.gz SXRLWANNSXAHMZ-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)ccn1 ZINC001033199431 707447996 /nfs/dbraw/zinc/44/79/96/707447996.db2.gz SXRLWANNSXAHMZ-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC001033199431 707447997 /nfs/dbraw/zinc/44/79/97/707447997.db2.gz SXRLWANNSXAHMZ-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)ccn1 ZINC001033199431 707447998 /nfs/dbraw/zinc/44/79/98/707447998.db2.gz SXRLWANNSXAHMZ-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999835123 707468585 /nfs/dbraw/zinc/46/85/85/707468585.db2.gz FJLSCBHHXIXQCQ-UHFFFAOYSA-N 2 2 343.431 1.836 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999837136 707473710 /nfs/dbraw/zinc/47/37/10/707473710.db2.gz PVISFXVHUKDLBF-HNNXBMFYSA-N 2 2 345.447 1.913 20 0 EDADLP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001004871898 707510236 /nfs/dbraw/zinc/51/02/36/707510236.db2.gz XJWDYZJEMNHQEM-YOEHRIQHSA-N 2 2 344.463 1.635 20 0 EDADLP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001004871898 707510241 /nfs/dbraw/zinc/51/02/41/707510241.db2.gz XJWDYZJEMNHQEM-YOEHRIQHSA-N 2 2 344.463 1.635 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCc2ccns2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044810602 707538796 /nfs/dbraw/zinc/53/87/96/707538796.db2.gz VZHLRARCYXKXDX-OLZOCXBDSA-N 2 2 333.461 1.621 20 0 EDADLP Cc1nc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)c(C)s1 ZINC000999916854 707558848 /nfs/dbraw/zinc/55/88/48/707558848.db2.gz PMUQWRKVNSYSOE-UHFFFAOYSA-N 2 2 333.461 1.736 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033203920 707645740 /nfs/dbraw/zinc/64/57/40/707645740.db2.gz UTQHAOVRWCSIGF-NVXWUHKLSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033203920 707645742 /nfs/dbraw/zinc/64/57/42/707645742.db2.gz UTQHAOVRWCSIGF-NVXWUHKLSA-N 2 2 346.475 1.547 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004958664 707714020 /nfs/dbraw/zinc/71/40/20/707714020.db2.gz WJJKIDSEVHLKBU-FZMZJTMJSA-N 2 2 348.476 1.672 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC001033415549 707791738 /nfs/dbraw/zinc/79/17/38/707791738.db2.gz JEXMOOYFXKIADE-YOEHRIQHSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001033415549 707791741 /nfs/dbraw/zinc/79/17/41/707791741.db2.gz JEXMOOYFXKIADE-YOEHRIQHSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001033415549 707791742 /nfs/dbraw/zinc/79/17/42/707791742.db2.gz JEXMOOYFXKIADE-YOEHRIQHSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001033415549 707791745 /nfs/dbraw/zinc/79/17/45/707791745.db2.gz JEXMOOYFXKIADE-YOEHRIQHSA-N 2 2 331.464 1.160 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033416025 707793689 /nfs/dbraw/zinc/79/36/89/707793689.db2.gz LRBWUKCIEPEEHP-JKSUJKDBSA-N 2 2 346.475 1.789 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033416025 707793693 /nfs/dbraw/zinc/79/36/93/707793693.db2.gz LRBWUKCIEPEEHP-JKSUJKDBSA-N 2 2 346.475 1.789 20 0 EDADLP C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004972741 707799238 /nfs/dbraw/zinc/79/92/38/707799238.db2.gz AJLPDJFZVFMHIW-RHSMWYFYSA-N 2 2 344.463 1.256 20 0 EDADLP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004973884 707803693 /nfs/dbraw/zinc/80/36/93/707803693.db2.gz FOVMXIBGIPRFJI-PBHICJAKSA-N 2 2 344.463 1.256 20 0 EDADLP C[C@H]([NH2+]Cc1ccccn1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004977351 707812472 /nfs/dbraw/zinc/81/24/72/707812472.db2.gz QBRQVLPBOIPDML-MAUKXSAKSA-N 2 2 341.459 1.917 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC001033422040 707835363 /nfs/dbraw/zinc/83/53/63/707835363.db2.gz FBOAETHBIKKEIK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001033422040 707835366 /nfs/dbraw/zinc/83/53/66/707835366.db2.gz FBOAETHBIKKEIK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001033422040 707835371 /nfs/dbraw/zinc/83/53/71/707835371.db2.gz FBOAETHBIKKEIK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001033422040 707835376 /nfs/dbraw/zinc/83/53/76/707835376.db2.gz FBOAETHBIKKEIK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044748290 707901901 /nfs/dbraw/zinc/90/19/01/707901901.db2.gz CWYDXQIEICYNHO-BXUZGUMPSA-N 2 2 331.420 1.726 20 0 EDADLP C[C@H]([NH2+]Cc1cccnc1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005007428 707917123 /nfs/dbraw/zinc/91/71/23/707917123.db2.gz DJNXYVQYJIMRDM-RDJZCZTQSA-N 2 2 327.432 1.838 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1)[NH+]1CCCCCC1 ZINC001033467340 707926297 /nfs/dbraw/zinc/92/62/97/707926297.db2.gz NGVASBOUPPCGSB-IAGOWNOFSA-N 2 2 347.507 1.717 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1)[NH+]1CCCCCC1 ZINC001033467340 707926302 /nfs/dbraw/zinc/92/63/02/707926302.db2.gz NGVASBOUPPCGSB-IAGOWNOFSA-N 2 2 347.507 1.717 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033472366 707960576 /nfs/dbraw/zinc/96/05/76/707960576.db2.gz HMQULXKIIVTOCL-SFHVURJKSA-N 2 2 349.519 1.964 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033472366 707960580 /nfs/dbraw/zinc/96/05/80/707960580.db2.gz HMQULXKIIVTOCL-SFHVURJKSA-N 2 2 349.519 1.964 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)cc[nH+]1 ZINC001060952606 708038223 /nfs/dbraw/zinc/03/82/23/708038223.db2.gz FGPTWYSORSLQLH-HNNXBMFYSA-N 2 2 331.464 1.920 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001005182124 708127904 /nfs/dbraw/zinc/12/79/04/708127904.db2.gz CTSYXKPCSRRXJT-SWLSCSKDSA-N 2 2 335.452 1.456 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001005182124 708127907 /nfs/dbraw/zinc/12/79/07/708127907.db2.gz CTSYXKPCSRRXJT-SWLSCSKDSA-N 2 2 335.452 1.456 20 0 EDADLP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccns3)C2)CC1 ZINC001033532690 708156058 /nfs/dbraw/zinc/15/60/58/708156058.db2.gz SKUHGJQQMOFRJY-HNNXBMFYSA-N 2 2 336.505 1.908 20 0 EDADLP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccns3)C2)CC1 ZINC001033532690 708156060 /nfs/dbraw/zinc/15/60/60/708156060.db2.gz SKUHGJQQMOFRJY-HNNXBMFYSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033553179 708217839 /nfs/dbraw/zinc/21/78/39/708217839.db2.gz AOGJJLCASLYCHI-INIZCTEOSA-N 2 2 325.416 1.824 20 0 EDADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033553179 708217845 /nfs/dbraw/zinc/21/78/45/708217845.db2.gz AOGJJLCASLYCHI-INIZCTEOSA-N 2 2 325.416 1.824 20 0 EDADLP Cc1ccncc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005208673 708233878 /nfs/dbraw/zinc/23/38/78/708233878.db2.gz FUGDEMXOXVDGMB-SFHVURJKSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1ccncc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005208673 708233879 /nfs/dbraw/zinc/23/38/79/708233879.db2.gz FUGDEMXOXVDGMB-SFHVURJKSA-N 2 2 346.475 1.143 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC001005209010 708234394 /nfs/dbraw/zinc/23/43/94/708234394.db2.gz JGDZYRKAQNLGTE-SFHVURJKSA-N 2 2 349.450 1.579 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC001005209010 708234399 /nfs/dbraw/zinc/23/43/99/708234399.db2.gz JGDZYRKAQNLGTE-SFHVURJKSA-N 2 2 349.450 1.579 20 0 EDADLP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033582193 708264891 /nfs/dbraw/zinc/26/48/91/708264891.db2.gz HXQBWSYQHWVFCB-ZBFHGGJFSA-N 2 2 343.431 1.449 20 0 EDADLP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033582193 708264893 /nfs/dbraw/zinc/26/48/93/708264893.db2.gz HXQBWSYQHWVFCB-ZBFHGGJFSA-N 2 2 343.431 1.449 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033582926 708267200 /nfs/dbraw/zinc/26/72/00/708267200.db2.gz RKTHJVFDJLFYHS-HUUCEWRRSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033582926 708267203 /nfs/dbraw/zinc/26/72/03/708267203.db2.gz RKTHJVFDJLFYHS-HUUCEWRRSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)s1 ZINC001033582926 708267206 /nfs/dbraw/zinc/26/72/06/708267206.db2.gz RKTHJVFDJLFYHS-HUUCEWRRSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC001033582926 708267209 /nfs/dbraw/zinc/26/72/09/708267209.db2.gz RKTHJVFDJLFYHS-HUUCEWRRSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1ccncc1C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033596311 708300749 /nfs/dbraw/zinc/30/07/49/708300749.db2.gz XVILNALEXIYDNY-INIZCTEOSA-N 2 2 327.432 1.399 20 0 EDADLP Cc1ccncc1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033596311 708300752 /nfs/dbraw/zinc/30/07/52/708300752.db2.gz XVILNALEXIYDNY-INIZCTEOSA-N 2 2 327.432 1.399 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001033617434 708345139 /nfs/dbraw/zinc/34/51/39/708345139.db2.gz UFPSWPFZVRDQIG-JKSUJKDBSA-N 2 2 334.464 1.753 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001033617434 708345143 /nfs/dbraw/zinc/34/51/43/708345143.db2.gz UFPSWPFZVRDQIG-JKSUJKDBSA-N 2 2 334.464 1.753 20 0 EDADLP CCc1nnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001001834565 708361198 /nfs/dbraw/zinc/36/11/98/708361198.db2.gz QNJFWSWWVYHERH-ZFWWWQNUSA-N 2 2 349.479 1.158 20 0 EDADLP CCc1nnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001001834565 708361200 /nfs/dbraw/zinc/36/12/00/708361200.db2.gz QNJFWSWWVYHERH-ZFWWWQNUSA-N 2 2 349.479 1.158 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033664109 708445218 /nfs/dbraw/zinc/44/52/18/708445218.db2.gz COCZTTCWLFDBGV-DZGCQCFKSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033664109 708445220 /nfs/dbraw/zinc/44/52/20/708445220.db2.gz COCZTTCWLFDBGV-DZGCQCFKSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001033664109 708445223 /nfs/dbraw/zinc/44/52/23/708445223.db2.gz COCZTTCWLFDBGV-DZGCQCFKSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001033664109 708445225 /nfs/dbraw/zinc/44/52/25/708445225.db2.gz COCZTTCWLFDBGV-DZGCQCFKSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033665390 708447960 /nfs/dbraw/zinc/44/79/60/708447960.db2.gz NTUILNBQMXMFKA-ZIAGYGMSSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033665390 708447963 /nfs/dbraw/zinc/44/79/63/708447963.db2.gz NTUILNBQMXMFKA-ZIAGYGMSSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2c(F)cccc2F)C1 ZINC001033665390 708447967 /nfs/dbraw/zinc/44/79/67/708447967.db2.gz NTUILNBQMXMFKA-ZIAGYGMSSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2c(F)cccc2F)C1 ZINC001033665390 708447971 /nfs/dbraw/zinc/44/79/71/708447971.db2.gz NTUILNBQMXMFKA-ZIAGYGMSSA-N 2 2 337.414 1.949 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(OC)ccn2)C1 ZINC001033775323 708675487 /nfs/dbraw/zinc/67/54/87/708675487.db2.gz MUBHBZHUGHXFTR-SJLPKXTDSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC001033775323 708675489 /nfs/dbraw/zinc/67/54/89/708675489.db2.gz MUBHBZHUGHXFTR-SJLPKXTDSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(OC)ccn2)C1 ZINC001033775323 708675491 /nfs/dbraw/zinc/67/54/91/708675491.db2.gz MUBHBZHUGHXFTR-SJLPKXTDSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(OC)ccn2)C1 ZINC001033775323 708675494 /nfs/dbraw/zinc/67/54/94/708675494.db2.gz MUBHBZHUGHXFTR-SJLPKXTDSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033790792 708715581 /nfs/dbraw/zinc/71/55/81/708715581.db2.gz YSTDMWOGUDAOFJ-CHWSQXEVSA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033790792 708715583 /nfs/dbraw/zinc/71/55/83/708715583.db2.gz YSTDMWOGUDAOFJ-CHWSQXEVSA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCC(F)(F)F)C1 ZINC001033790792 708715586 /nfs/dbraw/zinc/71/55/86/708715586.db2.gz YSTDMWOGUDAOFJ-CHWSQXEVSA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCC(F)(F)F)C1 ZINC001033790792 708715589 /nfs/dbraw/zinc/71/55/89/708715589.db2.gz YSTDMWOGUDAOFJ-CHWSQXEVSA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001033839451 708869398 /nfs/dbraw/zinc/86/93/98/708869398.db2.gz SEIJGDRBEUDOCY-IXDOHACOSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001033839451 708869399 /nfs/dbraw/zinc/86/93/99/708869399.db2.gz SEIJGDRBEUDOCY-IXDOHACOSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001033839451 708869401 /nfs/dbraw/zinc/86/94/01/708869401.db2.gz SEIJGDRBEUDOCY-IXDOHACOSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001033839451 708869402 /nfs/dbraw/zinc/86/94/02/708869402.db2.gz SEIJGDRBEUDOCY-IXDOHACOSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033882196 708981295 /nfs/dbraw/zinc/98/12/95/708981295.db2.gz YALBWCASPMYSJD-HUUCEWRRSA-N 2 2 334.464 1.392 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033882196 708981298 /nfs/dbraw/zinc/98/12/98/708981298.db2.gz YALBWCASPMYSJD-HUUCEWRRSA-N 2 2 334.464 1.392 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033882196 708981299 /nfs/dbraw/zinc/98/12/99/708981299.db2.gz YALBWCASPMYSJD-HUUCEWRRSA-N 2 2 334.464 1.392 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033882196 708981301 /nfs/dbraw/zinc/98/13/01/708981301.db2.gz YALBWCASPMYSJD-HUUCEWRRSA-N 2 2 334.464 1.392 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC001002522171 709076015 /nfs/dbraw/zinc/07/60/15/709076015.db2.gz IPRTUXRNHJLNGP-NVAPOSRTSA-N 2 2 343.471 1.611 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC001002522171 709076018 /nfs/dbraw/zinc/07/60/18/709076018.db2.gz IPRTUXRNHJLNGP-NVAPOSRTSA-N 2 2 343.471 1.611 20 0 EDADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002531098 709089188 /nfs/dbraw/zinc/08/91/88/709089188.db2.gz FFPWVFWMNMPLMA-KDOFPFPSSA-N 2 2 349.450 1.798 20 0 EDADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002531098 709089191 /nfs/dbraw/zinc/08/91/91/709089191.db2.gz FFPWVFWMNMPLMA-KDOFPFPSSA-N 2 2 349.450 1.798 20 0 EDADLP Cc1ccncc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148874 709420329 /nfs/dbraw/zinc/42/03/29/709420329.db2.gz PPXYXUHMDHYZCM-ZWKOTPCHSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ccncc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148874 709420331 /nfs/dbraw/zinc/42/03/31/709420331.db2.gz PPXYXUHMDHYZCM-ZWKOTPCHSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ccncc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148874 709420333 /nfs/dbraw/zinc/42/03/33/709420333.db2.gz PPXYXUHMDHYZCM-ZWKOTPCHSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148874 709420336 /nfs/dbraw/zinc/42/03/36/709420336.db2.gz PPXYXUHMDHYZCM-ZWKOTPCHSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001002859772 709468373 /nfs/dbraw/zinc/46/83/73/709468373.db2.gz FVSNJTDJHWABDW-LALPHHSUSA-N 2 2 334.468 1.095 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001002859772 709468374 /nfs/dbraw/zinc/46/83/74/709468374.db2.gz FVSNJTDJHWABDW-LALPHHSUSA-N 2 2 334.468 1.095 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3nccn3C)CC2)C1 ZINC001003008501 709791586 /nfs/dbraw/zinc/79/15/86/709791586.db2.gz QDFIYDOAJGBRPF-MRXNPFEDSA-N 2 2 347.507 1.479 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3nccn3C)CC2)C1 ZINC001003008501 709791588 /nfs/dbraw/zinc/79/15/88/709791588.db2.gz QDFIYDOAJGBRPF-MRXNPFEDSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001034363105 709879935 /nfs/dbraw/zinc/87/99/35/709879935.db2.gz KYUQVFFQAFOVPJ-HRCADAONSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001034363105 709879940 /nfs/dbraw/zinc/87/99/40/709879940.db2.gz KYUQVFFQAFOVPJ-HRCADAONSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cn(C)nn3)C2)CC[NH+]1C ZINC001034363105 709879945 /nfs/dbraw/zinc/87/99/45/709879945.db2.gz KYUQVFFQAFOVPJ-HRCADAONSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cn(C)nn3)C2)CC[NH+]1C ZINC001034363105 709879949 /nfs/dbraw/zinc/87/99/49/709879949.db2.gz KYUQVFFQAFOVPJ-HRCADAONSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001034393878 709928098 /nfs/dbraw/zinc/92/80/98/709928098.db2.gz HHJKMFRXUHSFIW-CRAIPNDOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001034393878 709928102 /nfs/dbraw/zinc/92/81/02/709928102.db2.gz HHJKMFRXUHSFIW-CRAIPNDOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001034393878 709928105 /nfs/dbraw/zinc/92/81/05/709928105.db2.gz HHJKMFRXUHSFIW-CRAIPNDOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001034393878 709928107 /nfs/dbraw/zinc/92/81/07/709928107.db2.gz HHJKMFRXUHSFIW-CRAIPNDOSA-N 2 2 345.491 1.598 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3ncccn3)C2)C1 ZINC001034491669 710112311 /nfs/dbraw/zinc/11/23/11/710112311.db2.gz XIDKNSBHVQYUHH-HZPDHXFCSA-N 2 2 331.464 1.289 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3ncccn3)C2)C1 ZINC001034491669 710112313 /nfs/dbraw/zinc/11/23/13/710112313.db2.gz XIDKNSBHVQYUHH-HZPDHXFCSA-N 2 2 331.464 1.289 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](Cc3ncccn3)C2)C1 ZINC001034491669 710112315 /nfs/dbraw/zinc/11/23/15/710112315.db2.gz XIDKNSBHVQYUHH-HZPDHXFCSA-N 2 2 331.464 1.289 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ncccn3)C2)C1 ZINC001034491669 710112318 /nfs/dbraw/zinc/11/23/18/710112318.db2.gz XIDKNSBHVQYUHH-HZPDHXFCSA-N 2 2 331.464 1.289 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](Cc2ccccn2)C1 ZINC001034491599 710112733 /nfs/dbraw/zinc/11/27/33/710112733.db2.gz VVEGTCJVRGYZAT-INIZCTEOSA-N 2 2 327.432 1.529 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccccn2)C1 ZINC001034491599 710112738 /nfs/dbraw/zinc/11/27/38/710112738.db2.gz VVEGTCJVRGYZAT-INIZCTEOSA-N 2 2 327.432 1.529 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)ncn1 ZINC001034483548 710127795 /nfs/dbraw/zinc/12/77/95/710127795.db2.gz FBJMUBITWSTTPW-HNNXBMFYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)ncn1 ZINC001034483548 710127799 /nfs/dbraw/zinc/12/77/99/710127799.db2.gz FBJMUBITWSTTPW-HNNXBMFYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485635 710131496 /nfs/dbraw/zinc/13/14/96/710131496.db2.gz RYFRGKMJXLLSPJ-CQSZACIVSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485635 710131498 /nfs/dbraw/zinc/13/14/98/710131498.db2.gz RYFRGKMJXLLSPJ-CQSZACIVSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CCn2cccn2)C1 ZINC001034501830 710141703 /nfs/dbraw/zinc/14/17/03/710141703.db2.gz ATZXJZOHZWRBAC-OAHLLOKOSA-N 2 2 330.436 1.128 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CCn2cccn2)C1 ZINC001034501830 710141708 /nfs/dbraw/zinc/14/17/08/710141708.db2.gz ATZXJZOHZWRBAC-OAHLLOKOSA-N 2 2 330.436 1.128 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](Cc2nccs2)C1 ZINC001034527055 710179603 /nfs/dbraw/zinc/17/96/03/710179603.db2.gz CVWXMRQEQKENLG-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2nccs2)C1 ZINC001034527055 710179606 /nfs/dbraw/zinc/17/96/06/710179606.db2.gz CVWXMRQEQKENLG-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034529433 710184480 /nfs/dbraw/zinc/18/44/80/710184480.db2.gz GUDVYLBCAYXXAT-MRXNPFEDSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034529433 710184484 /nfs/dbraw/zinc/18/44/84/710184484.db2.gz GUDVYLBCAYXXAT-MRXNPFEDSA-N 2 2 331.420 1.659 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CC[N@@H+]1C ZINC001061757225 710196020 /nfs/dbraw/zinc/19/60/20/710196020.db2.gz HYHDMXQEKRPNHD-OWCLPIDISA-N 2 2 331.464 1.458 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(c3cc[nH+]c(C)n3)C2)CC[N@H+]1C ZINC001061757225 710196022 /nfs/dbraw/zinc/19/60/22/710196022.db2.gz HYHDMXQEKRPNHD-OWCLPIDISA-N 2 2 331.464 1.458 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](C/C=C/Cl)C2)C1 ZINC001034534542 710206246 /nfs/dbraw/zinc/20/62/46/710206246.db2.gz MCDKKZDHPIPUPX-ZWXLGZMVSA-N 2 2 329.872 1.430 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](C/C=C/Cl)C2)C1 ZINC001034534542 710206248 /nfs/dbraw/zinc/20/62/48/710206248.db2.gz MCDKKZDHPIPUPX-ZWXLGZMVSA-N 2 2 329.872 1.430 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](C/C=C/Cl)C2)C1 ZINC001034534542 710206249 /nfs/dbraw/zinc/20/62/49/710206249.db2.gz MCDKKZDHPIPUPX-ZWXLGZMVSA-N 2 2 329.872 1.430 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](C/C=C/Cl)C2)C1 ZINC001034534542 710206250 /nfs/dbraw/zinc/20/62/50/710206250.db2.gz MCDKKZDHPIPUPX-ZWXLGZMVSA-N 2 2 329.872 1.430 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)o1 ZINC001003375885 710294119 /nfs/dbraw/zinc/29/41/19/710294119.db2.gz ZGBAIAZFAHXXJJ-KRWDZBQOSA-N 2 2 347.463 1.333 20 0 EDADLP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1)OC ZINC001003607542 710439602 /nfs/dbraw/zinc/43/96/02/710439602.db2.gz VWTPRYSENUAZBN-HUUCEWRRSA-N 2 2 334.464 1.835 20 0 EDADLP Cc1cc(C)c(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC001003606545 710446588 /nfs/dbraw/zinc/44/65/88/710446588.db2.gz DPKOCYQBEDDQAA-MRXNPFEDSA-N 2 2 344.459 1.147 20 0 EDADLP Cc1cc(C)c(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC001003606545 710446590 /nfs/dbraw/zinc/44/65/90/710446590.db2.gz DPKOCYQBEDDQAA-MRXNPFEDSA-N 2 2 344.459 1.147 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC001003627845 710457753 /nfs/dbraw/zinc/45/77/53/710457753.db2.gz IXWJQOQAWYDSLB-KBPBESRZSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC001003627845 710457755 /nfs/dbraw/zinc/45/77/55/710457755.db2.gz IXWJQOQAWYDSLB-KBPBESRZSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC001003628474 710458160 /nfs/dbraw/zinc/45/81/60/710458160.db2.gz QFTIEUAWEWJPCX-STQMWFEESA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC001003628474 710458162 /nfs/dbraw/zinc/45/81/62/710458162.db2.gz QFTIEUAWEWJPCX-STQMWFEESA-N 2 2 335.452 1.504 20 0 EDADLP CCc1cc(N2CC[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061773616 710659902 /nfs/dbraw/zinc/65/99/02/710659902.db2.gz HQVXIQKFIKUWGH-NVXWUHKLSA-N 2 2 345.491 1.774 20 0 EDADLP CCc1cc(N2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061773616 710659905 /nfs/dbraw/zinc/65/99/05/710659905.db2.gz HQVXIQKFIKUWGH-NVXWUHKLSA-N 2 2 345.491 1.774 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005604994 710685046 /nfs/dbraw/zinc/68/50/46/710685046.db2.gz FHDJUFLUIRPPIT-CVEARBPZSA-N 2 2 346.475 1.405 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005627353 710751996 /nfs/dbraw/zinc/75/19/96/710751996.db2.gz YKJYFZACAVOLTM-ZFWWWQNUSA-N 2 2 348.491 1.781 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001005627353 710751999 /nfs/dbraw/zinc/75/19/99/710751999.db2.gz YKJYFZACAVOLTM-ZFWWWQNUSA-N 2 2 348.491 1.781 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001003955071 711062355 /nfs/dbraw/zinc/06/23/55/711062355.db2.gz FRFBRILSVBURGR-UHFFFAOYSA-N 2 2 325.416 1.872 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975108 711063987 /nfs/dbraw/zinc/06/39/87/711063987.db2.gz GWKUSNSEIYRUNF-FUHWJXTLSA-N 2 2 347.459 1.059 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975108 711063991 /nfs/dbraw/zinc/06/39/91/711063991.db2.gz GWKUSNSEIYRUNF-FUHWJXTLSA-N 2 2 347.459 1.059 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001032975108 711063996 /nfs/dbraw/zinc/06/39/96/711063996.db2.gz GWKUSNSEIYRUNF-FUHWJXTLSA-N 2 2 347.459 1.059 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001032975108 711064001 /nfs/dbraw/zinc/06/40/01/711064001.db2.gz GWKUSNSEIYRUNF-FUHWJXTLSA-N 2 2 347.459 1.059 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001034792245 711118256 /nfs/dbraw/zinc/11/82/56/711118256.db2.gz CSWWRANLNSFYMS-SHTZXODSSA-N 2 2 345.447 1.959 20 0 EDADLP Cc1nc(CC[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)cs1 ZINC001003969847 711118535 /nfs/dbraw/zinc/11/85/35/711118535.db2.gz CWDUTHFTKKSQSA-UHFFFAOYSA-N 2 2 347.488 1.551 20 0 EDADLP Cc1ccncc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799240 711135346 /nfs/dbraw/zinc/13/53/46/711135346.db2.gz FINYXKQRQCVRQB-QAQDUYKDSA-N 2 2 327.432 1.804 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccon3)CC2)C1 ZINC001003966899 711136825 /nfs/dbraw/zinc/13/68/25/711136825.db2.gz FTPDLEDNYAJASF-WMLDXEAASA-N 2 2 334.464 1.876 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccon3)CC2)C1 ZINC001003966895 711136963 /nfs/dbraw/zinc/13/69/63/711136963.db2.gz FTPDLEDNYAJASF-PBHICJAKSA-N 2 2 334.464 1.876 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001034801707 711142483 /nfs/dbraw/zinc/14/24/83/711142483.db2.gz PYTVCXRLBSWPLC-JYJNAYRXSA-N 2 2 334.464 1.715 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001034885801 711290089 /nfs/dbraw/zinc/29/00/89/711290089.db2.gz ZRKZWXCSPOOUAN-KGLIPLIRSA-N 2 2 333.436 1.122 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001034885801 711290093 /nfs/dbraw/zinc/29/00/93/711290093.db2.gz ZRKZWXCSPOOUAN-KGLIPLIRSA-N 2 2 333.436 1.122 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001034936569 711358475 /nfs/dbraw/zinc/35/84/75/711358475.db2.gz RLWCOSWCDSZWHN-CABCVRRESA-N 2 2 335.452 1.331 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001034936569 711358479 /nfs/dbraw/zinc/35/84/79/711358479.db2.gz RLWCOSWCDSZWHN-CABCVRRESA-N 2 2 335.452 1.331 20 0 EDADLP CC1(C)CO[C@H](C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001034921268 711380324 /nfs/dbraw/zinc/38/03/24/711380324.db2.gz YNGGMYOCHTZCKT-CABCVRRESA-N 2 2 334.464 1.738 20 0 EDADLP CCc1noc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)n1 ZINC001034957528 711428852 /nfs/dbraw/zinc/42/88/52/711428852.db2.gz ZAJWJNQZSWSBNK-ZIAGYGMSSA-N 2 2 349.479 1.758 20 0 EDADLP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nnc(C3CC3)[nH]2)CCC1 ZINC001034957493 711428956 /nfs/dbraw/zinc/42/89/56/711428956.db2.gz XMVUGZUGGRXINE-CQSZACIVSA-N 2 2 346.479 1.247 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001034941819 711447210 /nfs/dbraw/zinc/44/72/10/711447210.db2.gz OPCQLPFWDOYMMF-HUUCEWRRSA-N 2 2 347.463 1.054 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)C1 ZINC001004146850 711557618 /nfs/dbraw/zinc/55/76/18/711557618.db2.gz BGMDAJQFPOTSGY-OAHLLOKOSA-N 2 2 345.491 1.252 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)C1 ZINC001004146850 711557620 /nfs/dbraw/zinc/55/76/20/711557620.db2.gz BGMDAJQFPOTSGY-OAHLLOKOSA-N 2 2 345.491 1.252 20 0 EDADLP CCc1nc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001004150869 711566870 /nfs/dbraw/zinc/56/68/70/711566870.db2.gz VGOJGPFFCDWJSM-ZDUSSCGKSA-N 2 2 336.505 1.738 20 0 EDADLP CCc1nc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001004150869 711566872 /nfs/dbraw/zinc/56/68/72/711566872.db2.gz VGOJGPFFCDWJSM-ZDUSSCGKSA-N 2 2 336.505 1.738 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004475049 711851653 /nfs/dbraw/zinc/85/16/53/711851653.db2.gz QYZFSDKQIJBRGH-SJLPKXTDSA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004475049 711851654 /nfs/dbraw/zinc/85/16/54/711851654.db2.gz QYZFSDKQIJBRGH-SJLPKXTDSA-N 2 2 346.475 1.141 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004500471 711900129 /nfs/dbraw/zinc/90/01/29/711900129.db2.gz PNEXKYHCNPFNHW-WBVHZDCISA-N 2 2 334.464 1.357 20 0 EDADLP C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001004500471 711900132 /nfs/dbraw/zinc/90/01/32/711900132.db2.gz PNEXKYHCNPFNHW-WBVHZDCISA-N 2 2 334.464 1.357 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033141326 711943797 /nfs/dbraw/zinc/94/37/97/711943797.db2.gz DGQHQXZPRZFVOO-WMZOPIPTSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033141326 711943799 /nfs/dbraw/zinc/94/37/99/711943799.db2.gz DGQHQXZPRZFVOO-WMZOPIPTSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccn(C)n3)C2)C1 ZINC001033141326 711943801 /nfs/dbraw/zinc/94/38/01/711943801.db2.gz DGQHQXZPRZFVOO-WMZOPIPTSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)C1 ZINC001033141326 711943802 /nfs/dbraw/zinc/94/38/02/711943802.db2.gz DGQHQXZPRZFVOO-WMZOPIPTSA-N 2 2 347.507 1.431 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598306 712041279 /nfs/dbraw/zinc/04/12/79/712041279.db2.gz WDBRFMFYJRBWBS-GOEBONIOSA-N 2 2 348.491 1.771 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598306 712041280 /nfs/dbraw/zinc/04/12/80/712041280.db2.gz WDBRFMFYJRBWBS-GOEBONIOSA-N 2 2 348.491 1.771 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033148199 712067357 /nfs/dbraw/zinc/06/73/57/712067357.db2.gz BVMLAWVKDLIQED-ZBFHGGJFSA-N 2 2 342.447 1.227 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033148199 712067360 /nfs/dbraw/zinc/06/73/60/712067360.db2.gz BVMLAWVKDLIQED-ZBFHGGJFSA-N 2 2 342.447 1.227 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033152610 712157488 /nfs/dbraw/zinc/15/74/88/712157488.db2.gz PYOZKSRAKDWALD-HZPDHXFCSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033152610 712157489 /nfs/dbraw/zinc/15/74/89/712157489.db2.gz PYOZKSRAKDWALD-HZPDHXFCSA-N 2 2 343.431 1.790 20 0 EDADLP CCC(CC)[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000352774516 282252499 /nfs/dbraw/zinc/25/24/99/282252499.db2.gz XSYKHCIIRHHVQN-ZMSDIMECSA-N 2 2 325.497 1.674 20 0 EDADLP CCC(CC)[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000352774516 282252501 /nfs/dbraw/zinc/25/25/01/282252501.db2.gz XSYKHCIIRHHVQN-ZMSDIMECSA-N 2 2 325.497 1.674 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000246043353 299097517 /nfs/dbraw/zinc/09/75/17/299097517.db2.gz XIEPSBPZLHJHOI-MWDXBVQZSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000246043353 299097520 /nfs/dbraw/zinc/09/75/20/299097520.db2.gz XIEPSBPZLHJHOI-MWDXBVQZSA-N 2 2 338.496 1.221 20 0 EDADLP CC[N@H+](CCO)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101544357 219134027 /nfs/dbraw/zinc/13/40/27/219134027.db2.gz BNRBUPZLHDLVIW-UHFFFAOYSA-N 2 2 337.489 1.488 20 0 EDADLP CC[N@@H+](CCO)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101544357 219134030 /nfs/dbraw/zinc/13/40/30/219134030.db2.gz BNRBUPZLHDLVIW-UHFFFAOYSA-N 2 2 337.489 1.488 20 0 EDADLP CN(CC1CC1)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346947056 282339703 /nfs/dbraw/zinc/33/97/03/282339703.db2.gz ZKSLTVGPOWRHSA-APWZRJJASA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346947056 282339706 /nfs/dbraw/zinc/33/97/06/282339706.db2.gz ZKSLTVGPOWRHSA-APWZRJJASA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346947056 282339709 /nfs/dbraw/zinc/33/97/09/282339709.db2.gz ZKSLTVGPOWRHSA-APWZRJJASA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346947056 282339711 /nfs/dbraw/zinc/33/97/11/282339711.db2.gz ZKSLTVGPOWRHSA-APWZRJJASA-N 2 2 347.507 1.603 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC[C@@H]21 ZINC000153131414 530064193 /nfs/dbraw/zinc/06/41/93/530064193.db2.gz SDCRRNCZBWIOFR-BBWFWOEESA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC[C@@H]21 ZINC000153131414 530064194 /nfs/dbraw/zinc/06/41/94/530064194.db2.gz SDCRRNCZBWIOFR-BBWFWOEESA-N 2 2 343.475 1.786 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1C ZINC000332789554 539602497 /nfs/dbraw/zinc/60/24/97/539602497.db2.gz KJRXQKNTGKUQER-DOTOQJQBSA-N 2 2 331.464 1.392 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000561146595 306282813 /nfs/dbraw/zinc/28/28/13/306282813.db2.gz IWHSGBRDTPWYTE-CJNGLKHVSA-N 2 2 345.422 1.947 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)c2ccc3[nH+]ccn3c2)ccn1 ZINC000179477026 233081648 /nfs/dbraw/zinc/08/16/48/233081648.db2.gz IEJQCESUFTUJAR-UHFFFAOYSA-N 2 2 339.399 1.600 20 0 EDADLP COc1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c(OC)c1 ZINC000104151740 219354780 /nfs/dbraw/zinc/35/47/80/219354780.db2.gz JCCMOTRQIDVWHT-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353521346 539934282 /nfs/dbraw/zinc/93/42/82/539934282.db2.gz RFOVPBMDFIQMDK-KZNAEPCWSA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353521346 539934285 /nfs/dbraw/zinc/93/42/85/539934285.db2.gz RFOVPBMDFIQMDK-KZNAEPCWSA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000562745220 306307325 /nfs/dbraw/zinc/30/73/25/306307325.db2.gz HUFSVAYHXXHGNX-HNNXBMFYSA-N 2 2 342.447 1.903 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCCC[C@H]2CCO)CC1 ZINC000354619284 539946379 /nfs/dbraw/zinc/94/63/79/539946379.db2.gz ZZAGHWYVBCXJHD-KRWDZBQOSA-N 2 2 340.512 1.349 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000357920977 539979799 /nfs/dbraw/zinc/97/97/99/539979799.db2.gz VUZOLSAJDGNBFQ-JKSUJKDBSA-N 2 2 348.495 1.423 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357920977 539979800 /nfs/dbraw/zinc/97/98/00/539979800.db2.gz VUZOLSAJDGNBFQ-JKSUJKDBSA-N 2 2 348.495 1.423 20 0 EDADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360727435 539999007 /nfs/dbraw/zinc/99/90/07/539999007.db2.gz WFRKJOCUUFLKAK-ADHGMGHFSA-N 2 2 328.497 1.640 20 0 EDADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360727435 539999010 /nfs/dbraw/zinc/99/90/10/539999010.db2.gz WFRKJOCUUFLKAK-ADHGMGHFSA-N 2 2 328.497 1.640 20 0 EDADLP COC1CCC(C)(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000563003606 306315610 /nfs/dbraw/zinc/31/56/10/306315610.db2.gz URVWLAFJLBNYHA-LRLNFDJXSA-N 2 2 328.497 1.641 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000412832277 304038560 /nfs/dbraw/zinc/03/85/60/304038560.db2.gz DBEYDCGPYFSJAX-IRXDYDNUSA-N 2 2 333.501 1.987 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000412832277 304038562 /nfs/dbraw/zinc/03/85/62/304038562.db2.gz DBEYDCGPYFSJAX-IRXDYDNUSA-N 2 2 333.501 1.987 20 0 EDADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247047612 291037699 /nfs/dbraw/zinc/03/76/99/291037699.db2.gz SJOOZQKMYOCNAB-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000247047612 291037702 /nfs/dbraw/zinc/03/77/02/291037702.db2.gz SJOOZQKMYOCNAB-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)CCNC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247047612 291037705 /nfs/dbraw/zinc/03/77/05/291037705.db2.gz SJOOZQKMYOCNAB-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)CCNC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247047612 291037707 /nfs/dbraw/zinc/03/77/07/291037707.db2.gz SJOOZQKMYOCNAB-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000276647573 540061613 /nfs/dbraw/zinc/06/16/13/540061613.db2.gz YPTUYYKMTLLCTN-GOSISDBHSA-N 2 2 342.443 1.615 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000276647573 540061618 /nfs/dbraw/zinc/06/16/18/540061618.db2.gz YPTUYYKMTLLCTN-GOSISDBHSA-N 2 2 342.443 1.615 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000276647573 540061620 /nfs/dbraw/zinc/06/16/20/540061620.db2.gz YPTUYYKMTLLCTN-GOSISDBHSA-N 2 2 342.443 1.615 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000276647573 540061624 /nfs/dbraw/zinc/06/16/24/540061624.db2.gz YPTUYYKMTLLCTN-GOSISDBHSA-N 2 2 342.443 1.615 20 0 EDADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cc21 ZINC000276619242 540062001 /nfs/dbraw/zinc/06/20/01/540062001.db2.gz QRVXXWWLCAKQLF-UHFFFAOYSA-N 2 2 343.387 1.451 20 0 EDADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CCc3c[nH]c[nH+]3)cc21 ZINC000276619242 540062005 /nfs/dbraw/zinc/06/20/05/540062005.db2.gz QRVXXWWLCAKQLF-UHFFFAOYSA-N 2 2 343.387 1.451 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000442763459 291055924 /nfs/dbraw/zinc/05/59/24/291055924.db2.gz RXFVBRZRUIYYAJ-STQMWFEESA-N 2 2 330.432 1.419 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000442763459 291055925 /nfs/dbraw/zinc/05/59/25/291055925.db2.gz RXFVBRZRUIYYAJ-STQMWFEESA-N 2 2 330.432 1.419 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000563349082 306328944 /nfs/dbraw/zinc/32/89/44/306328944.db2.gz OXCCFINUQHTHTA-XYPHTWIQSA-N 2 2 335.423 1.537 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000563349082 306328945 /nfs/dbraw/zinc/32/89/45/306328945.db2.gz OXCCFINUQHTHTA-XYPHTWIQSA-N 2 2 335.423 1.537 20 0 EDADLP COCC[N@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413057182 304054063 /nfs/dbraw/zinc/05/40/63/304054063.db2.gz WYZBOOOYNFYKKE-GJZGRUSLSA-N 2 2 337.468 1.064 20 0 EDADLP COCC[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413057182 304054064 /nfs/dbraw/zinc/05/40/64/304054064.db2.gz WYZBOOOYNFYKKE-GJZGRUSLSA-N 2 2 337.468 1.064 20 0 EDADLP COCC[N@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413057182 304054066 /nfs/dbraw/zinc/05/40/66/304054066.db2.gz WYZBOOOYNFYKKE-GJZGRUSLSA-N 2 2 337.468 1.064 20 0 EDADLP COCC[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413057182 304054068 /nfs/dbraw/zinc/05/40/68/304054068.db2.gz WYZBOOOYNFYKKE-GJZGRUSLSA-N 2 2 337.468 1.064 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000046487575 138116354 /nfs/dbraw/zinc/11/63/54/138116354.db2.gz FUZPSBLEOSFHPK-QGZVFWFLSA-N 2 2 346.475 1.235 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000563498860 306335718 /nfs/dbraw/zinc/33/57/18/306335718.db2.gz ARMNWZJUCQSSMS-GDBMZVCRSA-N 2 2 344.459 1.659 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCCCn1cc[nH+]c1 ZINC000054375161 138143726 /nfs/dbraw/zinc/14/37/26/138143726.db2.gz AUVSSGRAVKQWMI-UHFFFAOYSA-N 2 2 326.404 1.931 20 0 EDADLP CCOC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000072975809 138212073 /nfs/dbraw/zinc/21/20/73/138212073.db2.gz CTAGNRUKSJDMDM-QGZVFWFLSA-N 2 2 349.475 1.672 20 0 EDADLP CCOC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000072975809 138212076 /nfs/dbraw/zinc/21/20/76/138212076.db2.gz CTAGNRUKSJDMDM-QGZVFWFLSA-N 2 2 349.475 1.672 20 0 EDADLP CC[C@H](C)Oc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccn1 ZINC000563584893 306339970 /nfs/dbraw/zinc/33/99/70/306339970.db2.gz SYKMTJZSLPSCGT-DZGCQCFKSA-N 2 2 335.452 1.043 20 0 EDADLP CC[C@H](C)Oc1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccn1 ZINC000563584893 306339971 /nfs/dbraw/zinc/33/99/71/306339971.db2.gz SYKMTJZSLPSCGT-DZGCQCFKSA-N 2 2 335.452 1.043 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c[nH]1 ZINC000092665795 138290109 /nfs/dbraw/zinc/29/01/09/138290109.db2.gz UDLQFVXMLPTJFH-HOTGVXAUSA-N 2 2 348.491 1.792 20 0 EDADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660092 138294282 /nfs/dbraw/zinc/29/42/82/138294282.db2.gz ZDDUNMXCETVUFB-GOSISDBHSA-N 3 2 346.523 1.535 20 0 EDADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660092 138294283 /nfs/dbraw/zinc/29/42/83/138294283.db2.gz ZDDUNMXCETVUFB-GOSISDBHSA-N 3 2 346.523 1.535 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660092 138294284 /nfs/dbraw/zinc/29/42/84/138294284.db2.gz ZDDUNMXCETVUFB-GOSISDBHSA-N 3 2 346.523 1.535 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660092 138294285 /nfs/dbraw/zinc/29/42/85/138294285.db2.gz ZDDUNMXCETVUFB-GOSISDBHSA-N 3 2 346.523 1.535 20 0 EDADLP Cc1c(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnn1C ZINC000122219403 138318072 /nfs/dbraw/zinc/31/80/72/138318072.db2.gz XPHRIQUKRAXMIE-UHFFFAOYSA-N 2 2 347.507 1.336 20 0 EDADLP CCN1CCN(C(=O)NC2CCC([NH+](C)C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000563851160 306349621 /nfs/dbraw/zinc/34/96/21/306349621.db2.gz NAJDPNAKDKDPGY-GPANFISMSA-N 2 2 348.495 1.671 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000367763746 283320886 /nfs/dbraw/zinc/32/08/86/283320886.db2.gz PUVXAFIIMGZVJH-RCCFBDPRSA-N 2 2 329.444 1.059 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000367763746 283320888 /nfs/dbraw/zinc/32/08/88/283320888.db2.gz PUVXAFIIMGZVJH-RCCFBDPRSA-N 2 2 329.444 1.059 20 0 EDADLP COc1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175501260 138696475 /nfs/dbraw/zinc/69/64/75/138696475.db2.gz AGIZUQAHWMPMSQ-UHFFFAOYSA-N 2 2 334.464 1.520 20 0 EDADLP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000565030050 306373174 /nfs/dbraw/zinc/37/31/74/306373174.db2.gz SLHWMNDTXVBEBQ-OKILXGFUSA-N 2 2 337.851 1.600 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000565157689 306376313 /nfs/dbraw/zinc/37/63/13/306376313.db2.gz QKYYDZUKHAAUFT-CABCVRRESA-N 2 2 341.427 1.003 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000565157689 306376314 /nfs/dbraw/zinc/37/63/14/306376314.db2.gz QKYYDZUKHAAUFT-CABCVRRESA-N 2 2 341.427 1.003 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000565157689 306376315 /nfs/dbraw/zinc/37/63/15/306376315.db2.gz QKYYDZUKHAAUFT-CABCVRRESA-N 2 2 341.427 1.003 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000565157689 306376316 /nfs/dbraw/zinc/37/63/16/306376316.db2.gz QKYYDZUKHAAUFT-CABCVRRESA-N 2 2 341.427 1.003 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1ccccc1 ZINC000565159359 306376695 /nfs/dbraw/zinc/37/66/95/306376695.db2.gz YWLJFXKYYLINDP-GJZGRUSLSA-N 2 2 333.432 1.394 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)c1ccccc1 ZINC000565159359 306376696 /nfs/dbraw/zinc/37/66/96/306376696.db2.gz YWLJFXKYYLINDP-GJZGRUSLSA-N 2 2 333.432 1.394 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)CC[NH2+]C3CC3)CC2)cc1F ZINC000565218325 306378986 /nfs/dbraw/zinc/37/89/86/306378986.db2.gz XKUBORYZXVPKMC-UHFFFAOYSA-N 2 2 335.423 1.621 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccn(C)n1 ZINC000414067057 304099501 /nfs/dbraw/zinc/09/95/01/304099501.db2.gz HPJYMJXMUXTWCM-MRXNPFEDSA-N 3 2 328.464 1.678 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C(=O)N1c1ccccc1 ZINC000414356439 304110896 /nfs/dbraw/zinc/11/08/96/304110896.db2.gz DUDBKOWHDFPTHW-CJNGLKHVSA-N 2 2 327.432 1.770 20 0 EDADLP CC(C)C[C@H]([NH3+])C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000414761467 304138242 /nfs/dbraw/zinc/13/82/42/304138242.db2.gz TXFRKUOCUFGMAD-ZOBUZTSGSA-N 2 2 325.476 1.638 20 0 EDADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000414761467 304138244 /nfs/dbraw/zinc/13/82/44/304138244.db2.gz TXFRKUOCUFGMAD-ZOBUZTSGSA-N 2 2 325.476 1.638 20 0 EDADLP CC[NH2+]CC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000414831462 304145724 /nfs/dbraw/zinc/14/57/24/304145724.db2.gz PNSWSVIGKAIFFI-UHFFFAOYSA-N 2 2 330.432 1.948 20 0 EDADLP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000415049898 304154634 /nfs/dbraw/zinc/15/46/34/304154634.db2.gz BVUBOZVFVSKJAI-ZDUSSCGKSA-N 2 2 343.855 1.676 20 0 EDADLP CCN(C)C(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346920971 284265255 /nfs/dbraw/zinc/26/52/55/284265255.db2.gz JSYUMVKYUCHYFD-QAPCUYQASA-N 2 2 335.496 1.603 20 0 EDADLP CCN(C)C(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346920971 284265256 /nfs/dbraw/zinc/26/52/56/284265256.db2.gz JSYUMVKYUCHYFD-QAPCUYQASA-N 2 2 335.496 1.603 20 0 EDADLP CCN(C)C(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346920971 284265257 /nfs/dbraw/zinc/26/52/57/284265257.db2.gz JSYUMVKYUCHYFD-QAPCUYQASA-N 2 2 335.496 1.603 20 0 EDADLP CCN(C)C(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346920971 284265259 /nfs/dbraw/zinc/26/52/59/284265259.db2.gz JSYUMVKYUCHYFD-QAPCUYQASA-N 2 2 335.496 1.603 20 0 EDADLP C[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000195527027 139020267 /nfs/dbraw/zinc/02/02/67/139020267.db2.gz ZVNVEMRGRLTCEL-OAGGEKHMSA-N 2 2 346.475 1.796 20 0 EDADLP [NH3+]C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000415153332 304166289 /nfs/dbraw/zinc/16/62/89/304166289.db2.gz IVWSKHOAOABTMK-OAHLLOKOSA-N 2 2 329.404 1.821 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000110917120 220079265 /nfs/dbraw/zinc/07/92/65/220079265.db2.gz XCPQCYNEFUNSFD-UHFFFAOYSA-N 2 2 328.416 1.667 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC3CC[NH2+]CC3)c[nH+]2)C[C@@H](C)O1 ZINC000237440077 139051300 /nfs/dbraw/zinc/05/13/00/139051300.db2.gz XAJKFFVDLKLLME-HUUCEWRRSA-N 2 2 346.475 1.701 20 0 EDADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237496871 139052554 /nfs/dbraw/zinc/05/25/54/139052554.db2.gz PNXKJTCFEOLVLN-BBRMVZONSA-N 2 2 337.851 1.534 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC12CCOCC2 ZINC000567470212 306453121 /nfs/dbraw/zinc/45/31/21/306453121.db2.gz UXVXTXPOGPPSMQ-NHYWBVRUSA-N 2 2 339.386 1.179 20 0 EDADLP C[C@H](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000237669628 139057582 /nfs/dbraw/zinc/05/75/82/139057582.db2.gz IQPLVMPUPIEWOP-CVEARBPZSA-N 2 2 346.475 1.560 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237993871 139065912 /nfs/dbraw/zinc/06/59/12/139065912.db2.gz WAYIQCBDTFRJSZ-SFHVURJKSA-N 2 2 336.439 1.881 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000245608308 139080951 /nfs/dbraw/zinc/08/09/51/139080951.db2.gz JEMYLIVTIGTLRG-MJGOQNOKSA-N 2 2 345.487 1.483 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000245608308 139080952 /nfs/dbraw/zinc/08/09/52/139080952.db2.gz JEMYLIVTIGTLRG-MJGOQNOKSA-N 2 2 345.487 1.483 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)C[C@@H]3COCC[NH2+]3)ccc2n1C1CC1 ZINC000567823377 306464528 /nfs/dbraw/zinc/46/45/28/306464528.db2.gz VVPUDEATMHXEFO-CQSZACIVSA-N 2 2 328.416 1.674 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)c1 ZINC000246338026 139104514 /nfs/dbraw/zinc/10/45/14/139104514.db2.gz GQBQTXXEGPXMKH-IYOUNJFTSA-N 2 2 347.459 1.881 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)c1 ZINC000246338026 139104515 /nfs/dbraw/zinc/10/45/15/139104515.db2.gz GQBQTXXEGPXMKH-IYOUNJFTSA-N 2 2 347.459 1.881 20 0 EDADLP O=C(CC[NH2+]C1CC1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000568236251 306476346 /nfs/dbraw/zinc/47/63/46/306476346.db2.gz FUZBZUVLGCZCSH-UHFFFAOYSA-N 2 2 344.459 1.348 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000247144741 139137474 /nfs/dbraw/zinc/13/74/74/139137474.db2.gz LGMODTHDSIWDEF-BZUAXINKSA-N 2 2 334.464 1.766 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000247144741 139137475 /nfs/dbraw/zinc/13/74/75/139137475.db2.gz LGMODTHDSIWDEF-BZUAXINKSA-N 2 2 334.464 1.766 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000247183363 139139588 /nfs/dbraw/zinc/13/95/88/139139588.db2.gz VHUNRLNWQFZXOM-WMZOPIPTSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000247183363 139139589 /nfs/dbraw/zinc/13/95/89/139139589.db2.gz VHUNRLNWQFZXOM-WMZOPIPTSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247313944 139144528 /nfs/dbraw/zinc/14/45/28/139144528.db2.gz VPUYZMIGIIEVGR-HOTGVXAUSA-N 2 2 333.480 1.869 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247313944 139144529 /nfs/dbraw/zinc/14/45/29/139144529.db2.gz VPUYZMIGIIEVGR-HOTGVXAUSA-N 2 2 333.480 1.869 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248163852 139158987 /nfs/dbraw/zinc/15/89/87/139158987.db2.gz SPRLJGITUGMVQL-JYJNAYRXSA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248163852 139158988 /nfs/dbraw/zinc/15/89/88/139158988.db2.gz SPRLJGITUGMVQL-JYJNAYRXSA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248163852 139158989 /nfs/dbraw/zinc/15/89/89/139158989.db2.gz SPRLJGITUGMVQL-JYJNAYRXSA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248163852 139158990 /nfs/dbraw/zinc/15/89/90/139158990.db2.gz SPRLJGITUGMVQL-JYJNAYRXSA-N 2 2 339.480 1.106 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c[nH]1 ZINC000093147910 218198052 /nfs/dbraw/zinc/19/80/52/218198052.db2.gz YMTQSZQIIJOWNW-INIZCTEOSA-N 2 2 334.464 1.403 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c[nH]1 ZINC000093147910 218198055 /nfs/dbraw/zinc/19/80/55/218198055.db2.gz YMTQSZQIIJOWNW-INIZCTEOSA-N 2 2 334.464 1.403 20 0 EDADLP COc1ccc(O)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000094134793 218267417 /nfs/dbraw/zinc/26/74/17/218267417.db2.gz ZNWDEQYBCKHRNX-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP COc1ccc(O)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000094134793 218267420 /nfs/dbraw/zinc/26/74/20/218267420.db2.gz ZNWDEQYBCKHRNX-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC[NH2+]1 ZINC000415447029 304220794 /nfs/dbraw/zinc/22/07/94/304220794.db2.gz WVRUXPDZYRGSII-CYBMUJFWSA-N 2 2 340.383 1.633 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261551898 139208934 /nfs/dbraw/zinc/20/89/34/139208934.db2.gz MNCQUABSTAKABB-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)C1 ZINC000261668614 139215807 /nfs/dbraw/zinc/21/58/07/139215807.db2.gz ABNAWOOMYBCKFL-HOTGVXAUSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)C1 ZINC000261668614 139215808 /nfs/dbraw/zinc/21/58/08/139215808.db2.gz ABNAWOOMYBCKFL-HOTGVXAUSA-N 2 2 337.851 1.534 20 0 EDADLP COC(=O)C(C)(C)CC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261751516 139223158 /nfs/dbraw/zinc/22/31/58/139223158.db2.gz CFXSJSYSUOFMEL-UHFFFAOYSA-N 2 2 335.452 1.150 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261800181 139227271 /nfs/dbraw/zinc/22/72/71/139227271.db2.gz ZXWZBDBYGAZKDS-ZACQAIPSSA-N 2 2 344.459 1.455 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000261802524 139227390 /nfs/dbraw/zinc/22/73/90/139227390.db2.gz VYRWTXMYXMBMFV-QGZVFWFLSA-N 2 2 332.473 1.626 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000261802524 139227391 /nfs/dbraw/zinc/22/73/91/139227391.db2.gz VYRWTXMYXMBMFV-QGZVFWFLSA-N 2 2 332.473 1.626 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261918781 139236826 /nfs/dbraw/zinc/23/68/26/139236826.db2.gz YOTSBAKWTRKFTA-HZPDHXFCSA-N 2 2 333.480 1.056 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261956217 139239752 /nfs/dbraw/zinc/23/97/52/139239752.db2.gz ORHSIYDCZOTYRT-UHFFFAOYSA-N 2 2 343.479 1.847 20 0 EDADLP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000261956780 139239957 /nfs/dbraw/zinc/23/99/57/139239957.db2.gz RBSSDHNVYPYTLK-ROUUACIJSA-N 2 2 343.471 1.254 20 0 EDADLP C[C@H](NC(=O)C1(C[NH3+])CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000262152346 139255544 /nfs/dbraw/zinc/25/55/44/139255544.db2.gz HVWQZEDJNWNSJZ-AWEZNQCLSA-N 2 2 328.416 1.805 20 0 EDADLP [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(F)(F)F ZINC000416013768 251046095 /nfs/dbraw/zinc/04/60/95/251046095.db2.gz UPKMSFHLDFHEKT-MNOVXSKESA-N 2 2 331.342 1.239 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262264451 139264851 /nfs/dbraw/zinc/26/48/51/139264851.db2.gz JTCZWRUKIBDFQK-MJBXVCDLSA-N 2 2 329.803 1.314 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262264451 139264852 /nfs/dbraw/zinc/26/48/52/139264852.db2.gz JTCZWRUKIBDFQK-MJBXVCDLSA-N 2 2 329.803 1.314 20 0 EDADLP O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262286688 139266677 /nfs/dbraw/zinc/26/66/77/139266677.db2.gz OJBRSJKPFNBSQL-CQSZACIVSA-N 2 2 328.420 1.091 20 0 EDADLP [NH3+]C[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416882920 251118041 /nfs/dbraw/zinc/11/80/41/251118041.db2.gz ASEGIOLCLLYGDL-DOTOQJQBSA-N 2 2 332.448 1.050 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416987940 251118892 /nfs/dbraw/zinc/11/88/92/251118892.db2.gz NESGDGIRVMPOAX-KFWWJZLASA-N 2 2 349.479 1.492 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N2CC[C@H](C[NH3+])C2)[NH+]2CCOCC2)c1 ZINC000416993622 251121043 /nfs/dbraw/zinc/12/10/43/251121043.db2.gz IUAHZNBMBAKYQA-SJLPKXTDSA-N 2 2 346.475 1.359 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000417016401 251134533 /nfs/dbraw/zinc/13/45/33/251134533.db2.gz GDCJCQNKSGYRQP-KFWWJZLASA-N 2 2 346.466 1.898 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NCCC[NH2+]C3CC3)c[nH+]2)CCO1 ZINC000416999384 251124368 /nfs/dbraw/zinc/12/43/68/251124368.db2.gz ZHNPZBNHEUEYNS-AWEZNQCLSA-N 2 2 347.463 1.248 20 0 EDADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262331270 139270845 /nfs/dbraw/zinc/27/08/45/139270845.db2.gz DZLLPQOMFQHMON-CVEARBPZSA-N 2 2 326.400 1.548 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCC[NH2+]C2CCCCCC2)CCO1 ZINC000417411442 251165459 /nfs/dbraw/zinc/16/54/59/251165459.db2.gz CXSMFQZLPJPVMG-UHFFFAOYSA-N 2 2 340.512 1.709 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCC[NH2+]C2CCCCCC2)CCO1 ZINC000417411442 251165461 /nfs/dbraw/zinc/16/54/61/251165461.db2.gz CXSMFQZLPJPVMG-UHFFFAOYSA-N 2 2 340.512 1.709 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1F ZINC000262363542 139273377 /nfs/dbraw/zinc/27/33/77/139273377.db2.gz KSRNZGWKDAPBPJ-WBMJQRKESA-N 2 2 332.379 1.143 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000417463436 251177854 /nfs/dbraw/zinc/17/78/54/251177854.db2.gz CXOAGYMSVFAKAD-QWRGUYRKSA-N 2 2 333.358 1.857 20 0 EDADLP COCC1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC[NH2+]CC1 ZINC000262382577 139274984 /nfs/dbraw/zinc/27/49/84/139274984.db2.gz OEIXKXXCUOMYOD-UHFFFAOYSA-N 2 2 347.459 1.053 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C[NH3+] ZINC000417686540 251227866 /nfs/dbraw/zinc/22/78/66/251227866.db2.gz GTVDIYBTEUGVHQ-ZBFHGGJFSA-N 2 2 327.432 1.999 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417740817 251250328 /nfs/dbraw/zinc/25/03/28/251250328.db2.gz SNOXZCCNYDTPDW-UHFFFAOYSA-N 2 2 344.463 1.913 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000417832636 251290958 /nfs/dbraw/zinc/29/09/58/251290958.db2.gz DGXGZLVNWULVET-INIZCTEOSA-N 2 2 327.432 1.662 20 0 EDADLP COCC[NH2+]CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000417780438 251267432 /nfs/dbraw/zinc/26/74/32/251267432.db2.gz VUYNPTPNLYQTRQ-CQSZACIVSA-N 2 2 331.420 1.469 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000417991271 251319258 /nfs/dbraw/zinc/31/92/58/251319258.db2.gz LCHGPXXDBNPYPN-GXTWGEPZSA-N 2 2 330.354 1.497 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000417991271 251319260 /nfs/dbraw/zinc/31/92/60/251319260.db2.gz LCHGPXXDBNPYPN-GXTWGEPZSA-N 2 2 330.354 1.497 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417855550 251299327 /nfs/dbraw/zinc/29/93/27/251299327.db2.gz VJJAHEXNEGEPOH-UHFFFAOYSA-N 2 2 348.438 1.162 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000418701149 251388806 /nfs/dbraw/zinc/38/88/06/251388806.db2.gz CQNNCEZLCKLUKV-OCCSQVGLSA-N 2 2 341.406 1.452 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)[C@H](C)C[NH3+])c2[nH+]ccn2C)c1 ZINC000262617070 139290386 /nfs/dbraw/zinc/29/03/86/139290386.db2.gz ZEZFRENNIYTTKS-ABAIWWIYSA-N 2 2 332.404 1.238 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262841400 139307263 /nfs/dbraw/zinc/30/72/63/139307263.db2.gz UAZYSEROPRIFNM-CABCVRRESA-N 2 2 340.431 1.211 20 0 EDADLP Clc1cccnc1N1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422872062 252006086 /nfs/dbraw/zinc/00/60/86/252006086.db2.gz FMXNUKNRMFKRHX-IMJJTQAJSA-N 2 2 336.867 1.670 20 0 EDADLP Clc1cccnc1N1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422872063 252006219 /nfs/dbraw/zinc/00/62/19/252006219.db2.gz FMXNUKNRMFKRHX-NUEKZKHPSA-N 2 2 336.867 1.670 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422874379 252008572 /nfs/dbraw/zinc/00/85/72/252008572.db2.gz NSGCNPOLXFGXBM-QGZVFWFLSA-N 2 2 325.497 1.916 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422874379 252008576 /nfs/dbraw/zinc/00/85/76/252008576.db2.gz NSGCNPOLXFGXBM-QGZVFWFLSA-N 2 2 325.497 1.916 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422879422 252010004 /nfs/dbraw/zinc/01/00/04/252010004.db2.gz KKKMOKZYCUYYMT-CRAIPNDOSA-N 3 2 330.476 1.304 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422884129 252011897 /nfs/dbraw/zinc/01/18/97/252011897.db2.gz WHNQXLQMIORDMZ-CRAIPNDOSA-N 2 2 330.476 1.585 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@H]1CCCC[NH2+]1 ZINC000422897976 252014718 /nfs/dbraw/zinc/01/47/18/252014718.db2.gz DDQHOPLTPBELRR-JLJPHGGASA-N 2 2 347.459 1.431 20 0 EDADLP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422898623 252016468 /nfs/dbraw/zinc/01/64/68/252016468.db2.gz FSOQHPUEWACIOG-WMLDXEAASA-N 2 2 339.505 1.803 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CC3(C[NH3+])CC3)c[nH+]2)C[C@H](C)O1 ZINC000423344088 252047716 /nfs/dbraw/zinc/04/77/16/252047716.db2.gz WRQKOWXTJGUJRE-KBPBESRZSA-N 2 2 332.448 1.440 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1I ZINC000423413111 252053975 /nfs/dbraw/zinc/05/39/75/252053975.db2.gz YEGHVJXTYPGSCR-CWSCBRNRSA-N 2 2 346.212 1.522 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(OCc2nccn2C)cc1 ZINC000423508469 252056876 /nfs/dbraw/zinc/05/68/76/252056876.db2.gz IGDNCKXORUHWON-WBVHZDCISA-N 2 2 343.475 1.553 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000423933036 252105332 /nfs/dbraw/zinc/10/53/32/252105332.db2.gz QTDQHYADLKKRHU-SQNIBIBYSA-N 2 2 331.460 1.659 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000423933036 252105333 /nfs/dbraw/zinc/10/53/33/252105333.db2.gz QTDQHYADLKKRHU-SQNIBIBYSA-N 2 2 331.460 1.659 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000423794860 252077197 /nfs/dbraw/zinc/07/71/97/252077197.db2.gz KEKYVTDJBFSXFW-QGZVFWFLSA-N 2 2 333.476 1.812 20 0 EDADLP C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)Cn1cc[nH+]c1 ZINC000424139476 252139574 /nfs/dbraw/zinc/13/95/74/252139574.db2.gz VISSNBWYDOZTKX-ZIAGYGMSSA-N 2 2 330.436 1.150 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000424334645 252198057 /nfs/dbraw/zinc/19/80/57/252198057.db2.gz NTNJWNOFMGYFQS-RRCSTGOVSA-N 2 2 347.459 1.883 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])c[nH+]2)CCO1 ZINC000263119795 139323421 /nfs/dbraw/zinc/32/34/21/139323421.db2.gz AVEOSTJUQDWGOY-ALKREAHSSA-N 2 2 346.475 1.831 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263174491 139326657 /nfs/dbraw/zinc/32/66/57/139326657.db2.gz GAXZGHOAGVZQPY-CYBMUJFWSA-N 2 2 347.475 1.852 20 0 EDADLP O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000328641065 285068850 /nfs/dbraw/zinc/06/88/50/285068850.db2.gz CZJKCBDOLJHMTB-HUUCEWRRSA-N 2 2 337.489 1.834 20 0 EDADLP O=S1(=O)CC[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000328641065 285068853 /nfs/dbraw/zinc/06/88/53/285068853.db2.gz CZJKCBDOLJHMTB-HUUCEWRRSA-N 2 2 337.489 1.834 20 0 EDADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000263273313 139332385 /nfs/dbraw/zinc/33/23/85/139332385.db2.gz SNFMKCJJJVFLLK-WBVHZDCISA-N 2 2 335.452 1.061 20 0 EDADLP Cc1cccc(C)c1OCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000112731192 220388972 /nfs/dbraw/zinc/38/89/72/220388972.db2.gz RFSIBNJUHVNGLI-UHFFFAOYSA-N 2 2 333.476 1.778 20 0 EDADLP CN(CC[NH+]1CCCC1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000112742681 220393052 /nfs/dbraw/zinc/39/30/52/220393052.db2.gz FTEULTHFQSPFDY-UHFFFAOYSA-N 2 2 347.463 1.155 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363014340 285219629 /nfs/dbraw/zinc/21/96/29/285219629.db2.gz JEERBKLDKUHSCH-ZACQAIPSSA-N 2 2 325.497 1.674 20 0 EDADLP CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363014340 285219633 /nfs/dbraw/zinc/21/96/33/285219633.db2.gz JEERBKLDKUHSCH-ZACQAIPSSA-N 2 2 325.497 1.674 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000489908540 255073767 /nfs/dbraw/zinc/07/37/67/255073767.db2.gz FVZIAAGJEPEXHQ-GOEBONIOSA-N 2 2 344.450 1.699 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[NH+](C(C)C)C(C)C)CCO1 ZINC000492191938 255161612 /nfs/dbraw/zinc/16/16/12/255161612.db2.gz CRHMGHRNPGKBQX-INIZCTEOSA-N 2 2 328.501 1.515 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[NH+](C(C)C)C(C)C)CCO1 ZINC000492191938 255161613 /nfs/dbraw/zinc/16/16/13/255161613.db2.gz CRHMGHRNPGKBQX-INIZCTEOSA-N 2 2 328.501 1.515 20 0 EDADLP C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000492585675 255181305 /nfs/dbraw/zinc/18/13/05/255181305.db2.gz XTVGMJIWQGQFRL-NCRRVARUSA-N 2 2 326.400 1.068 20 0 EDADLP C[N@H+]1CC[C@@](O)(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000492585675 255181306 /nfs/dbraw/zinc/18/13/06/255181306.db2.gz XTVGMJIWQGQFRL-NCRRVARUSA-N 2 2 326.400 1.068 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)N1CC[NH+](C)CC1 ZINC000115415418 220845575 /nfs/dbraw/zinc/84/55/75/220845575.db2.gz DNNNMZNVOPINTJ-AWEZNQCLSA-N 2 2 336.455 1.139 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495108298 255269007 /nfs/dbraw/zinc/26/90/07/255269007.db2.gz YZLLHUAHXACALZ-HUUCEWRRSA-N 2 2 338.452 1.887 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000263878318 139366649 /nfs/dbraw/zinc/36/66/49/139366649.db2.gz PBPVGWIXFINJDC-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000263878318 139366648 /nfs/dbraw/zinc/36/66/48/139366648.db2.gz PBPVGWIXFINJDC-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496158913 255358792 /nfs/dbraw/zinc/35/87/92/255358792.db2.gz GVOJOPYOATUDAL-SFHVURJKSA-N 3 2 347.463 1.388 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496158913 255358793 /nfs/dbraw/zinc/35/87/93/255358793.db2.gz GVOJOPYOATUDAL-SFHVURJKSA-N 3 2 347.463 1.388 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496174390 255361064 /nfs/dbraw/zinc/36/10/64/255361064.db2.gz WRQGRJJAOIEZIC-KKUMJFAQSA-N 2 2 329.485 1.677 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496174390 255361065 /nfs/dbraw/zinc/36/10/65/255361065.db2.gz WRQGRJJAOIEZIC-KKUMJFAQSA-N 2 2 329.485 1.677 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496174390 255361066 /nfs/dbraw/zinc/36/10/66/255361066.db2.gz WRQGRJJAOIEZIC-KKUMJFAQSA-N 2 2 329.485 1.677 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496174390 255361067 /nfs/dbraw/zinc/36/10/67/255361067.db2.gz WRQGRJJAOIEZIC-KKUMJFAQSA-N 2 2 329.485 1.677 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851955 255331384 /nfs/dbraw/zinc/33/13/84/255331384.db2.gz SYFUGFXHQABBMV-JKSUJKDBSA-N 2 2 341.496 1.821 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851955 255331385 /nfs/dbraw/zinc/33/13/85/255331385.db2.gz SYFUGFXHQABBMV-JKSUJKDBSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851955 255331386 /nfs/dbraw/zinc/33/13/86/255331386.db2.gz SYFUGFXHQABBMV-JKSUJKDBSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851955 255331387 /nfs/dbraw/zinc/33/13/87/255331387.db2.gz SYFUGFXHQABBMV-JKSUJKDBSA-N 2 2 341.496 1.821 20 0 EDADLP CO[C@@H]1C[C@@H]([N@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C12CCC2 ZINC000496310295 255379136 /nfs/dbraw/zinc/37/91/36/255379136.db2.gz VHUKNRHASCOVAU-GPMSIDNRSA-N 2 2 349.475 1.750 20 0 EDADLP CO[C@@H]1C[C@@H]([N@@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C12CCC2 ZINC000496310295 255379137 /nfs/dbraw/zinc/37/91/37/255379137.db2.gz VHUKNRHASCOVAU-GPMSIDNRSA-N 2 2 349.475 1.750 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CC[NH+]([C@@H]3CCSC3)CC2)nc[nH+]1 ZINC000373060969 285274396 /nfs/dbraw/zinc/27/43/96/285274396.db2.gz YEVMFKNQAYTGHW-LSDHHAIUSA-N 2 2 349.504 1.065 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)NCCn3cc[nH+]c3)CC2)[nH+]1 ZINC000117022711 221022767 /nfs/dbraw/zinc/02/27/67/221022767.db2.gz CUQPQZUFGKPZEA-UHFFFAOYSA-N 2 2 328.420 1.555 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(C)c3)C2)CC1 ZINC000118834716 221191310 /nfs/dbraw/zinc/19/13/10/221191310.db2.gz PNDWYTVWFWURCT-IBGZPJMESA-N 2 2 344.503 1.954 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(C)c3)C2)CC1 ZINC000118834716 221191314 /nfs/dbraw/zinc/19/13/14/221191314.db2.gz PNDWYTVWFWURCT-IBGZPJMESA-N 2 2 344.503 1.954 20 0 EDADLP COCCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000154582548 224275899 /nfs/dbraw/zinc/27/58/99/224275899.db2.gz FFTYKQXHHCRSIL-SJPCQFCGSA-N 2 2 335.492 1.573 20 0 EDADLP COCCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000154582548 224275902 /nfs/dbraw/zinc/27/59/02/224275902.db2.gz FFTYKQXHHCRSIL-SJPCQFCGSA-N 2 2 335.492 1.573 20 0 EDADLP CC[NH+](CC)CCNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119016529 221224132 /nfs/dbraw/zinc/22/41/32/221224132.db2.gz ORXVGQVOLZRSRW-UHFFFAOYSA-N 2 2 335.452 1.690 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000119040517 221230301 /nfs/dbraw/zinc/23/03/01/221230301.db2.gz MUFYXKRBPBUWFJ-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000119040517 221230303 /nfs/dbraw/zinc/23/03/03/221230303.db2.gz MUFYXKRBPBUWFJ-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C[N@@H+]1C1CC1 ZINC000119204268 221266755 /nfs/dbraw/zinc/26/67/55/221266755.db2.gz VSRCMOHMZWPPNU-ZFWWWQNUSA-N 2 2 327.432 1.801 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C[N@H+]1C1CC1 ZINC000119204268 221266757 /nfs/dbraw/zinc/26/67/57/221266757.db2.gz VSRCMOHMZWPPNU-ZFWWWQNUSA-N 2 2 327.432 1.801 20 0 EDADLP Cc1cc(C)n2c(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cnc2n1 ZINC000119524626 221339543 /nfs/dbraw/zinc/33/95/43/221339543.db2.gz VMSZXSGEQXDPEG-UHFFFAOYSA-N 2 2 342.491 1.560 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000119614974 221359512 /nfs/dbraw/zinc/35/95/12/221359512.db2.gz VJSAEXWZEGTARE-AWEZNQCLSA-N 2 2 334.420 1.265 20 0 EDADLP C[C@]1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCC[NH2+]C1 ZINC000119873299 221422614 /nfs/dbraw/zinc/42/26/14/221422614.db2.gz QKCXAXRFNIDSKY-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@H]1C ZINC000353766683 285370718 /nfs/dbraw/zinc/37/07/18/285370718.db2.gz HXIXXJNNBXGMNI-NVXWUHKLSA-N 2 2 349.523 1.870 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@H]1C ZINC000353766683 285370721 /nfs/dbraw/zinc/37/07/21/285370721.db2.gz HXIXXJNNBXGMNI-NVXWUHKLSA-N 2 2 349.523 1.870 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@H]1C ZINC000353766683 285370725 /nfs/dbraw/zinc/37/07/25/285370725.db2.gz HXIXXJNNBXGMNI-NVXWUHKLSA-N 2 2 349.523 1.870 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@H]1C ZINC000353766683 285370731 /nfs/dbraw/zinc/37/07/31/285370731.db2.gz HXIXXJNNBXGMNI-NVXWUHKLSA-N 2 2 349.523 1.870 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCc3nccnc3C)c2cc1C ZINC000571396522 306564192 /nfs/dbraw/zinc/56/41/92/306564192.db2.gz GNHBTQMWXLFXAH-MRXNPFEDSA-N 2 2 339.443 1.945 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000571645672 306571186 /nfs/dbraw/zinc/57/11/86/306571186.db2.gz IAKYSZKSIQMYQU-KRWDZBQOSA-N 2 2 334.460 1.253 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000270103444 140045655 /nfs/dbraw/zinc/04/56/55/140045655.db2.gz CCPIQWGNUPTHJE-AWEZNQCLSA-N 2 2 341.415 1.361 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000270103444 140045656 /nfs/dbraw/zinc/04/56/56/140045656.db2.gz CCPIQWGNUPTHJE-AWEZNQCLSA-N 2 2 341.415 1.361 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270259382 140069226 /nfs/dbraw/zinc/06/92/26/140069226.db2.gz RMYJFVQCJHRYDJ-CQSZACIVSA-N 2 2 346.431 1.219 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000270929656 140201092 /nfs/dbraw/zinc/20/10/92/140201092.db2.gz DXRZUIGIHLLQFH-WMZOPIPTSA-N 2 2 331.460 1.470 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000270929656 140201093 /nfs/dbraw/zinc/20/10/93/140201093.db2.gz DXRZUIGIHLLQFH-WMZOPIPTSA-N 2 2 331.460 1.470 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000270944074 140204569 /nfs/dbraw/zinc/20/45/69/140204569.db2.gz RVMWCKPIOXHUSZ-SJLPKXTDSA-N 2 2 347.459 1.160 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000270944074 140204572 /nfs/dbraw/zinc/20/45/72/140204572.db2.gz RVMWCKPIOXHUSZ-SJLPKXTDSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)CCN1c1nccn2cnnc12 ZINC000271320346 140277857 /nfs/dbraw/zinc/27/78/57/140277857.db2.gz SZINIEAFANWSIB-CABCVRRESA-N 2 2 329.452 1.119 20 0 EDADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCN1c1nccn2cnnc12 ZINC000271320346 140277859 /nfs/dbraw/zinc/27/78/59/140277859.db2.gz SZINIEAFANWSIB-CABCVRRESA-N 2 2 329.452 1.119 20 0 EDADLP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCN1c1nccn2cnnc12 ZINC000271320346 140277861 /nfs/dbraw/zinc/27/78/61/140277861.db2.gz SZINIEAFANWSIB-CABCVRRESA-N 2 2 329.452 1.119 20 0 EDADLP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CCN1c1nccn2cnnc12 ZINC000271320346 140277862 /nfs/dbraw/zinc/27/78/62/140277862.db2.gz SZINIEAFANWSIB-CABCVRRESA-N 2 2 329.452 1.119 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331388705 141015509 /nfs/dbraw/zinc/01/55/09/141015509.db2.gz ISWIUVAHIRYAQL-CYBMUJFWSA-N 2 2 330.436 1.967 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(C)[nH+]1 ZINC000331619765 141057980 /nfs/dbraw/zinc/05/79/80/141057980.db2.gz FAXNMYICZIECNK-IAGOWNOFSA-N 2 2 344.459 1.257 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc(C)[nH+]1 ZINC000331619765 141057981 /nfs/dbraw/zinc/05/79/81/141057981.db2.gz FAXNMYICZIECNK-IAGOWNOFSA-N 2 2 344.459 1.257 20 0 EDADLP C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000331660965 141063704 /nfs/dbraw/zinc/06/37/04/141063704.db2.gz YGMADEMNFGASGV-VQIMIIECSA-N 2 2 345.487 1.396 20 0 EDADLP C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000331660965 141063706 /nfs/dbraw/zinc/06/37/06/141063706.db2.gz YGMADEMNFGASGV-VQIMIIECSA-N 2 2 345.487 1.396 20 0 EDADLP COC(=O)c1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000332374204 141171012 /nfs/dbraw/zinc/17/10/12/141171012.db2.gz CJALBPBFBJERQD-CYBMUJFWSA-N 2 2 348.447 1.042 20 0 EDADLP COC(=O)c1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000332374204 141171013 /nfs/dbraw/zinc/17/10/13/141171013.db2.gz CJALBPBFBJERQD-CYBMUJFWSA-N 2 2 348.447 1.042 20 0 EDADLP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000333303236 141295706 /nfs/dbraw/zinc/29/57/06/141295706.db2.gz QJTLDRLDXMOQMW-XHSDSOJGSA-N 3 2 327.538 1.690 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000333323843 141299454 /nfs/dbraw/zinc/29/94/54/141299454.db2.gz XJQGRTTWSYMTGX-HOCLYGCPSA-N 2 2 347.463 1.082 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333384025 141309471 /nfs/dbraw/zinc/30/94/71/141309471.db2.gz NWKGZXBOOFDKJR-IRXDYDNUSA-N 2 2 343.475 1.823 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C[C@@H]21 ZINC000333537186 141333236 /nfs/dbraw/zinc/33/32/36/141333236.db2.gz NFTRFRKDJVDREF-XUWVNRHRSA-N 2 2 331.464 1.249 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)C[C@@H]21 ZINC000333537186 141333237 /nfs/dbraw/zinc/33/32/37/141333237.db2.gz NFTRFRKDJVDREF-XUWVNRHRSA-N 2 2 331.464 1.249 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)C2)C1 ZINC000333568545 141338316 /nfs/dbraw/zinc/33/83/16/141338316.db2.gz IBZGUVVHQVCRID-CRAIPNDOSA-N 2 2 331.464 1.888 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)C2)C1 ZINC000333568545 141338318 /nfs/dbraw/zinc/33/83/18/141338318.db2.gz IBZGUVVHQVCRID-CRAIPNDOSA-N 2 2 331.464 1.888 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cn2cc[nH+]c12 ZINC000333592934 141341824 /nfs/dbraw/zinc/34/18/24/141341824.db2.gz BSHFVBAEVGYXIX-CQSZACIVSA-N 2 2 345.447 1.952 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cn2cc[nH+]c12 ZINC000333592934 141341825 /nfs/dbraw/zinc/34/18/25/141341825.db2.gz BSHFVBAEVGYXIX-CQSZACIVSA-N 2 2 345.447 1.952 20 0 EDADLP O[C@@H](C[NH2+]Cc1cccc2nccn21)C[N@H+]1CCc2ccccc2C1 ZINC000339546446 142073151 /nfs/dbraw/zinc/07/31/51/142073151.db2.gz TZXRRZLRXJOVJD-IBGZPJMESA-N 2 2 336.439 1.843 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)CC1 ZINC000339775504 142152041 /nfs/dbraw/zinc/15/20/41/142152041.db2.gz HRFXYSODJMLYOX-SFHVURJKSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2CC2CCC2)CC1 ZINC000339775504 142152043 /nfs/dbraw/zinc/15/20/43/142152043.db2.gz HRFXYSODJMLYOX-SFHVURJKSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H](CO)CCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340269429 142325963 /nfs/dbraw/zinc/32/59/63/142325963.db2.gz WJHKXEQXORGUSB-OAHLLOKOSA-N 2 2 328.501 1.062 20 0 EDADLP C[C@@H](CO)CCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340269429 142325964 /nfs/dbraw/zinc/32/59/64/142325964.db2.gz WJHKXEQXORGUSB-OAHLLOKOSA-N 2 2 328.501 1.062 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ncccc3C(=O)OC)C2)CC1 ZINC000340276483 142327911 /nfs/dbraw/zinc/32/79/11/142327911.db2.gz GLFSTWGUUNHRSU-HNNXBMFYSA-N 2 2 332.448 1.080 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncccc3C(=O)OC)C2)CC1 ZINC000340276483 142327912 /nfs/dbraw/zinc/32/79/12/142327912.db2.gz GLFSTWGUUNHRSU-HNNXBMFYSA-N 2 2 332.448 1.080 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cccc(F)c1 ZINC000344745470 143006363 /nfs/dbraw/zinc/00/63/63/143006363.db2.gz HASSBCGNFBKODH-UHFFFAOYSA-N 2 2 337.439 1.689 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cccc(F)c1 ZINC000344745470 143006364 /nfs/dbraw/zinc/00/63/64/143006364.db2.gz HASSBCGNFBKODH-UHFFFAOYSA-N 2 2 337.439 1.689 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)[nH]1 ZINC000344974656 143033647 /nfs/dbraw/zinc/03/36/47/143033647.db2.gz BMVPMXHJBMWDOB-GUYCJALGSA-N 2 2 345.447 1.708 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)[nH]1 ZINC000344974656 143033648 /nfs/dbraw/zinc/03/36/48/143033648.db2.gz BMVPMXHJBMWDOB-GUYCJALGSA-N 2 2 345.447 1.708 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000345046550 143043264 /nfs/dbraw/zinc/04/32/64/143043264.db2.gz JLRKSIDOHPZWJN-GVDBMIGSSA-N 2 2 346.475 1.381 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000345350181 143081091 /nfs/dbraw/zinc/08/10/91/143081091.db2.gz YYCLMXITCYSUJD-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000345350181 143081092 /nfs/dbraw/zinc/08/10/92/143081092.db2.gz YYCLMXITCYSUJD-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345350181 143081093 /nfs/dbraw/zinc/08/10/93/143081093.db2.gz YYCLMXITCYSUJD-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345350181 143081094 /nfs/dbraw/zinc/08/10/94/143081094.db2.gz YYCLMXITCYSUJD-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000345350185 143081193 /nfs/dbraw/zinc/08/11/93/143081193.db2.gz YYCLMXITCYSUJD-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000345350185 143081194 /nfs/dbraw/zinc/08/11/94/143081194.db2.gz YYCLMXITCYSUJD-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[NH+](C)CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345350185 143081195 /nfs/dbraw/zinc/08/11/95/143081195.db2.gz YYCLMXITCYSUJD-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[NH+](C)CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345350185 143081196 /nfs/dbraw/zinc/08/11/96/143081196.db2.gz YYCLMXITCYSUJD-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345395560 143086054 /nfs/dbraw/zinc/08/60/54/143086054.db2.gz SKKHVDKMXOHRDX-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345395560 143086055 /nfs/dbraw/zinc/08/60/55/143086055.db2.gz SKKHVDKMXOHRDX-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCCCS2)CC1 ZINC000345643756 143115699 /nfs/dbraw/zinc/11/56/99/143115699.db2.gz RLXPMNYJOXSHIX-HNNXBMFYSA-N 2 2 328.526 1.597 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1CCOC ZINC000346176538 143175464 /nfs/dbraw/zinc/17/54/64/143175464.db2.gz IDILLOKADLVROA-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1CCOC ZINC000346176538 143175465 /nfs/dbraw/zinc/17/54/65/143175465.db2.gz IDILLOKADLVROA-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1CCOC ZINC000346176538 143175466 /nfs/dbraw/zinc/17/54/66/143175466.db2.gz IDILLOKADLVROA-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1CCOC ZINC000346176538 143175467 /nfs/dbraw/zinc/17/54/67/143175467.db2.gz IDILLOKADLVROA-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCO1 ZINC000346182535 143176060 /nfs/dbraw/zinc/17/60/60/143176060.db2.gz UYTOMGLFCLLTCQ-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000346383279 143199146 /nfs/dbraw/zinc/19/91/46/143199146.db2.gz WDRTWLPWTYHPMK-UHFFFAOYSA-N 2 2 341.496 1.057 20 0 EDADLP O=C(C[N@H+]1C[C@H](F)C[C@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000346385489 143199471 /nfs/dbraw/zinc/19/94/71/143199471.db2.gz WUASLPWKNANTGI-MSOLQXFVSA-N 2 2 349.450 1.303 20 0 EDADLP O=C(C[N@@H+]1C[C@H](F)C[C@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000346385489 143199472 /nfs/dbraw/zinc/19/94/72/143199472.db2.gz WUASLPWKNANTGI-MSOLQXFVSA-N 2 2 349.450 1.303 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000346533930 143214304 /nfs/dbraw/zinc/21/43/04/143214304.db2.gz USSHBWDNTGMGQZ-HDEZJCGLSA-N 2 2 331.464 1.958 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000347034271 143274427 /nfs/dbraw/zinc/27/44/27/143274427.db2.gz CMQAEXSJBLSWTQ-QRQLOZEOSA-N 3 2 332.492 1.338 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000347034271 143274428 /nfs/dbraw/zinc/27/44/28/143274428.db2.gz CMQAEXSJBLSWTQ-QRQLOZEOSA-N 3 2 332.492 1.338 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000347074957 143279411 /nfs/dbraw/zinc/27/94/11/143279411.db2.gz SUUGPBAJNWTZHH-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000347074957 143279412 /nfs/dbraw/zinc/27/94/12/143279412.db2.gz SUUGPBAJNWTZHH-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OCC(C)C ZINC000347118037 143284504 /nfs/dbraw/zinc/28/45/04/143284504.db2.gz VBAWMOIKHYRUDE-UHFFFAOYSA-N 2 2 349.475 1.594 20 0 EDADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OCC(C)C ZINC000347118037 143284505 /nfs/dbraw/zinc/28/45/05/143284505.db2.gz VBAWMOIKHYRUDE-UHFFFAOYSA-N 2 2 349.475 1.594 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000369684774 155135604 /nfs/dbraw/zinc/13/56/04/155135604.db2.gz XIAYZOPWNUTUIE-OAHLLOKOSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cc(=O)[nH]c3ccccc23)C[C@@H](C)O1 ZINC000572751379 306598580 /nfs/dbraw/zinc/59/85/80/306598580.db2.gz GLPWRHQPKKESBK-IIAWOOMASA-N 2 2 345.443 1.500 20 0 EDADLP Cc1csc(CCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369728628 155150619 /nfs/dbraw/zinc/15/06/19/155150619.db2.gz BROJJESTIBKNHI-AWEZNQCLSA-N 2 2 336.505 1.669 20 0 EDADLP Cc1csc(CCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369728628 155150624 /nfs/dbraw/zinc/15/06/24/155150624.db2.gz BROJJESTIBKNHI-AWEZNQCLSA-N 2 2 336.505 1.669 20 0 EDADLP COCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369728268 155150934 /nfs/dbraw/zinc/15/09/34/155150934.db2.gz XSMGXOVBVAFUHE-AWEZNQCLSA-N 2 2 336.436 1.062 20 0 EDADLP COCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369728268 155150940 /nfs/dbraw/zinc/15/09/40/155150940.db2.gz XSMGXOVBVAFUHE-AWEZNQCLSA-N 2 2 336.436 1.062 20 0 EDADLP CC[C@H](c1nnc(SCCF)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000340588624 149055458 /nfs/dbraw/zinc/05/54/58/149055458.db2.gz IXOPXQFXWUVQMI-CYBMUJFWSA-N 2 2 345.488 1.685 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3CCC[C@H]3O)CC2)c1 ZINC000352700706 149121605 /nfs/dbraw/zinc/12/16/05/149121605.db2.gz UEDDORQVEVLHRU-RBUKOAKNSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3CCC[C@H]3O)CC2)c1 ZINC000352700706 149121606 /nfs/dbraw/zinc/12/16/06/149121606.db2.gz UEDDORQVEVLHRU-RBUKOAKNSA-N 2 2 345.487 1.484 20 0 EDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000352783431 149163933 /nfs/dbraw/zinc/16/39/33/149163933.db2.gz YDSPVWGEPDMUGG-HOTGVXAUSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000352783431 149163936 /nfs/dbraw/zinc/16/39/36/149163936.db2.gz YDSPVWGEPDMUGG-HOTGVXAUSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352811659 149177068 /nfs/dbraw/zinc/17/70/68/149177068.db2.gz VDZHCACBEZYPGP-YQVWRLOYSA-N 2 2 343.519 1.664 20 0 EDADLP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352811659 149177070 /nfs/dbraw/zinc/17/70/70/149177070.db2.gz VDZHCACBEZYPGP-YQVWRLOYSA-N 2 2 343.519 1.664 20 0 EDADLP C[C@@H](CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[NH+](C)C ZINC000352860715 149193021 /nfs/dbraw/zinc/19/30/21/149193021.db2.gz INKXTOZBMUTASX-AWEZNQCLSA-N 2 2 343.431 1.592 20 0 EDADLP CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000353091657 149282901 /nfs/dbraw/zinc/28/29/01/149282901.db2.gz CKFCJKPPQXSSBK-QGZVFWFLSA-N 2 2 348.472 1.776 20 0 EDADLP CO[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000353208073 149325595 /nfs/dbraw/zinc/32/55/95/149325595.db2.gz WFONLGSQXDYGHA-CQSZACIVSA-N 2 2 325.478 1.359 20 0 EDADLP CO[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000353208073 149325598 /nfs/dbraw/zinc/32/55/98/149325598.db2.gz WFONLGSQXDYGHA-CQSZACIVSA-N 2 2 325.478 1.359 20 0 EDADLP c1cc(N2CC[NH+](C3CCCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000353280296 149350704 /nfs/dbraw/zinc/35/07/04/149350704.db2.gz BEAHZPZSDCLYJA-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416963550 304355818 /nfs/dbraw/zinc/35/58/18/304355818.db2.gz VGGADAXXCUDTNK-ZBFHGGJFSA-N 2 2 327.432 1.605 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)C1 ZINC000369937834 155242459 /nfs/dbraw/zinc/24/24/59/155242459.db2.gz WBVXTCSNAVVULF-HOTGVXAUSA-N 2 2 332.448 1.514 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)C1 ZINC000369937834 155242464 /nfs/dbraw/zinc/24/24/64/155242464.db2.gz WBVXTCSNAVVULF-HOTGVXAUSA-N 2 2 332.448 1.514 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000416972653 304358218 /nfs/dbraw/zinc/35/82/18/304358218.db2.gz GZKJTCULASWVMD-GOEBONIOSA-N 2 2 347.463 1.045 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000416979249 304359916 /nfs/dbraw/zinc/35/99/16/304359916.db2.gz WVYDXDNDNOMELV-OAHLLOKOSA-N 2 2 335.452 1.091 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]([NH3+])C3CC3)c[nH+]2)C[C@H](C)O1 ZINC000416978725 304359957 /nfs/dbraw/zinc/35/99/57/304359957.db2.gz CZZZKHBKFPOMBI-ZENOOKHLSA-N 2 2 347.463 1.232 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000416979603 304360003 /nfs/dbraw/zinc/36/00/03/304360003.db2.gz FEOXOMBGBFVHHL-AWEZNQCLSA-N 2 2 349.479 1.623 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1cccnc1 ZINC000354985603 150066267 /nfs/dbraw/zinc/06/62/67/150066267.db2.gz RMQJWPSAZPQECT-HZPDHXFCSA-N 2 2 330.476 1.812 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1cccnc1 ZINC000354985603 150066268 /nfs/dbraw/zinc/06/62/68/150066268.db2.gz RMQJWPSAZPQECT-HZPDHXFCSA-N 2 2 330.476 1.812 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355050651 150092184 /nfs/dbraw/zinc/09/21/84/150092184.db2.gz MUHVUMDIHWKNJZ-HZPDHXFCSA-N 2 2 338.540 1.780 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355050651 150092186 /nfs/dbraw/zinc/09/21/86/150092186.db2.gz MUHVUMDIHWKNJZ-HZPDHXFCSA-N 2 2 338.540 1.780 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CCSC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355088959 150111707 /nfs/dbraw/zinc/11/17/07/150111707.db2.gz PCWPVUKBHFNLIY-KGLIPLIRSA-N 2 2 326.510 1.302 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CCSC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355088959 150111709 /nfs/dbraw/zinc/11/17/09/150111709.db2.gz PCWPVUKBHFNLIY-KGLIPLIRSA-N 2 2 326.510 1.302 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)[nH]1 ZINC000355210744 150166821 /nfs/dbraw/zinc/16/68/21/150166821.db2.gz LQRBRCUFEXPGIR-DJIMGWMZSA-N 2 2 334.464 1.400 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)[nH]1 ZINC000355210744 150166824 /nfs/dbraw/zinc/16/68/24/150166824.db2.gz LQRBRCUFEXPGIR-DJIMGWMZSA-N 2 2 334.464 1.400 20 0 EDADLP COc1c(Br)cccc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414977214 286175507 /nfs/dbraw/zinc/17/55/07/286175507.db2.gz POOUNHPLHFBRGP-LBPRGKRZSA-N 2 2 328.254 1.451 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)c3cc(C[NH+](C)C)on3)sc2C1 ZINC000355695733 150363338 /nfs/dbraw/zinc/36/33/38/150363338.db2.gz JCYBGHZGTYBALR-UHFFFAOYSA-N 2 2 335.433 1.823 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)c3cc(C[NH+](C)C)on3)sc2C1 ZINC000355695733 150363340 /nfs/dbraw/zinc/36/33/40/150363340.db2.gz JCYBGHZGTYBALR-UHFFFAOYSA-N 2 2 335.433 1.823 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417039158 304364811 /nfs/dbraw/zinc/36/48/11/304364811.db2.gz NSZSBMUVIXXTMH-XIRDDKMYSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000417039719 304364892 /nfs/dbraw/zinc/36/48/92/304364892.db2.gz OFHRWOWYOFFGRX-DJIMGWMZSA-N 2 2 332.448 1.049 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc(OC)c1O ZINC000370641462 286220163 /nfs/dbraw/zinc/22/01/63/286220163.db2.gz BZRNNSMUUYFMTH-AWEZNQCLSA-N 2 2 336.432 1.564 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc(OC)c1O ZINC000370641462 286220165 /nfs/dbraw/zinc/22/01/65/286220165.db2.gz BZRNNSMUUYFMTH-AWEZNQCLSA-N 2 2 336.432 1.564 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000573786114 306633959 /nfs/dbraw/zinc/63/39/59/306633959.db2.gz YUNSCUOTACPHBU-JKSUJKDBSA-N 2 2 325.416 1.766 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000357625625 151089739 /nfs/dbraw/zinc/08/97/39/151089739.db2.gz IJBWGZFEEVLXGZ-PBHICJAKSA-N 2 2 340.439 1.342 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000357625625 151089741 /nfs/dbraw/zinc/08/97/41/151089741.db2.gz IJBWGZFEEVLXGZ-PBHICJAKSA-N 2 2 340.439 1.342 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653248 151103129 /nfs/dbraw/zinc/10/31/29/151103129.db2.gz VOLSSLYHRXOJNK-LBPRGKRZSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653248 151103132 /nfs/dbraw/zinc/10/31/32/151103132.db2.gz VOLSSLYHRXOJNK-LBPRGKRZSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)CC[N@@H+]1C ZINC000357730213 151129026 /nfs/dbraw/zinc/12/90/26/151129026.db2.gz NTTUCLXAMSQJTL-DJIMGWMZSA-N 2 2 331.460 1.521 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)CC[N@H+]1C ZINC000357730213 151129027 /nfs/dbraw/zinc/12/90/27/151129027.db2.gz NTTUCLXAMSQJTL-DJIMGWMZSA-N 2 2 331.460 1.521 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000357730213 151129029 /nfs/dbraw/zinc/12/90/29/151129029.db2.gz NTTUCLXAMSQJTL-DJIMGWMZSA-N 2 2 331.460 1.521 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000357730213 151129030 /nfs/dbraw/zinc/12/90/30/151129030.db2.gz NTTUCLXAMSQJTL-DJIMGWMZSA-N 2 2 331.460 1.521 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000357997672 151227885 /nfs/dbraw/zinc/22/78/85/151227885.db2.gz WESNKGWQQHOHBV-AWEZNQCLSA-N 2 2 344.459 1.655 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000357997672 151227888 /nfs/dbraw/zinc/22/78/88/151227888.db2.gz WESNKGWQQHOHBV-AWEZNQCLSA-N 2 2 344.459 1.655 20 0 EDADLP Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000358057300 151250443 /nfs/dbraw/zinc/25/04/43/151250443.db2.gz PFZGYAJSQNBTPO-LJQANCHMSA-N 2 2 341.411 1.979 20 0 EDADLP Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1Oc1cc[nH+]cc1 ZINC000358057300 151250447 /nfs/dbraw/zinc/25/04/47/151250447.db2.gz PFZGYAJSQNBTPO-LJQANCHMSA-N 2 2 341.411 1.979 20 0 EDADLP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000358150928 151288102 /nfs/dbraw/zinc/28/81/02/151288102.db2.gz NCCWEUQQGYOPOH-LBPRGKRZSA-N 2 2 327.812 1.337 20 0 EDADLP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000358150928 151288104 /nfs/dbraw/zinc/28/81/04/151288104.db2.gz NCCWEUQQGYOPOH-LBPRGKRZSA-N 2 2 327.812 1.337 20 0 EDADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000358226303 151312151 /nfs/dbraw/zinc/31/21/51/151312151.db2.gz DCDXFICZXSYVCP-KSSFIOAISA-N 2 2 338.448 1.438 20 0 EDADLP COCCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000358226303 151312154 /nfs/dbraw/zinc/31/21/54/151312154.db2.gz DCDXFICZXSYVCP-KSSFIOAISA-N 2 2 338.448 1.438 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCO[C@H](CC)C1 ZINC000358307545 151332952 /nfs/dbraw/zinc/33/29/52/151332952.db2.gz GNHADFGBYASFEB-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCO[C@H](CC)C1 ZINC000358307545 151332955 /nfs/dbraw/zinc/33/29/55/151332955.db2.gz GNHADFGBYASFEB-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000358307545 151332957 /nfs/dbraw/zinc/33/29/57/151332957.db2.gz GNHADFGBYASFEB-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000358307545 151332960 /nfs/dbraw/zinc/33/29/60/151332960.db2.gz GNHADFGBYASFEB-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(C)s1 ZINC000358343140 151344203 /nfs/dbraw/zinc/34/42/03/151344203.db2.gz ROGVCQLOYGUNJU-GWCFXTLKSA-N 2 2 331.507 1.183 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(C)s1 ZINC000358343140 151344205 /nfs/dbraw/zinc/34/42/05/151344205.db2.gz ROGVCQLOYGUNJU-GWCFXTLKSA-N 2 2 331.507 1.183 20 0 EDADLP COc1cccc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000370111628 155328555 /nfs/dbraw/zinc/32/85/55/155328555.db2.gz MCZCIFAKLQCIGU-FUHWJXTLSA-N 2 2 333.476 1.752 20 0 EDADLP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@H](O)C(F)(F)F ZINC000360952414 152262296 /nfs/dbraw/zinc/26/22/96/152262296.db2.gz ZZEAQHNMNZSYLI-JSGCOSHPSA-N 2 2 340.386 1.695 20 0 EDADLP CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000370143657 155346798 /nfs/dbraw/zinc/34/67/98/155346798.db2.gz XFBMHOGXLFKBAC-NVXWUHKLSA-N 2 2 335.492 1.573 20 0 EDADLP CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000370143657 155346804 /nfs/dbraw/zinc/34/68/04/155346804.db2.gz XFBMHOGXLFKBAC-NVXWUHKLSA-N 2 2 335.492 1.573 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1CCN(CC(N)=O)CC1 ZINC000361285233 152353528 /nfs/dbraw/zinc/35/35/28/152353528.db2.gz CKDDDHROGLAXIU-UHFFFAOYSA-N 2 2 343.475 1.618 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361354134 152370073 /nfs/dbraw/zinc/37/00/73/152370073.db2.gz WHPZBJKNQQBGHV-FUHWJXTLSA-N 3 2 334.508 1.523 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361354134 152370075 /nfs/dbraw/zinc/37/00/75/152370075.db2.gz WHPZBJKNQQBGHV-FUHWJXTLSA-N 3 2 334.508 1.523 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363676029 153026318 /nfs/dbraw/zinc/02/63/18/153026318.db2.gz VJJPZBOKNBVRIQ-CZUORRHYSA-N 2 2 329.366 1.917 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363676029 153026320 /nfs/dbraw/zinc/02/63/20/153026320.db2.gz VJJPZBOKNBVRIQ-CZUORRHYSA-N 2 2 329.366 1.917 20 0 EDADLP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3nnnn3C3CC3)C2)nc(C)[nH+]1 ZINC000364577577 153277605 /nfs/dbraw/zinc/27/76/05/153277605.db2.gz MKADTKCCJIJHEY-OCCSQVGLSA-N 2 2 342.451 1.734 20 0 EDADLP CCSCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367108305 154010700 /nfs/dbraw/zinc/01/07/00/154010700.db2.gz UAGIJFCVXLTYMT-MRXNPFEDSA-N 2 2 342.553 1.940 20 0 EDADLP CCSCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367108305 154010703 /nfs/dbraw/zinc/01/07/03/154010703.db2.gz UAGIJFCVXLTYMT-MRXNPFEDSA-N 2 2 342.553 1.940 20 0 EDADLP Cc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000367308584 154073660 /nfs/dbraw/zinc/07/36/60/154073660.db2.gz DXPMYHMNSHWPTJ-INIZCTEOSA-N 2 2 332.448 1.839 20 0 EDADLP c1csc(N2CCC([NH2+]C[C@@H]3C[N@@H+]4CCCC[C@H]4CO3)CC2)n1 ZINC000367397787 154104641 /nfs/dbraw/zinc/10/46/41/154104641.db2.gz YTJQLJYNQVLOKE-JKSUJKDBSA-N 2 2 336.505 1.955 20 0 EDADLP c1csc(N2CCC([NH2+]C[C@@H]3C[N@H+]4CCCC[C@H]4CO3)CC2)n1 ZINC000367397787 154104644 /nfs/dbraw/zinc/10/46/44/154104644.db2.gz YTJQLJYNQVLOKE-JKSUJKDBSA-N 2 2 336.505 1.955 20 0 EDADLP COc1ccc(O)c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000367453790 154129477 /nfs/dbraw/zinc/12/94/77/154129477.db2.gz GVAAMIHILSTBSC-AWEZNQCLSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(O)c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000367453790 154129481 /nfs/dbraw/zinc/12/94/81/154129481.db2.gz GVAAMIHILSTBSC-AWEZNQCLSA-N 2 2 347.459 1.641 20 0 EDADLP CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367679327 154227284 /nfs/dbraw/zinc/22/72/84/154227284.db2.gz SIKUSCPPRRWUBL-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367679327 154227287 /nfs/dbraw/zinc/22/72/87/154227287.db2.gz SIKUSCPPRRWUBL-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000367847509 154296318 /nfs/dbraw/zinc/29/63/18/154296318.db2.gz QDOJMPSEGNEBHT-GJZGRUSLSA-N 2 2 336.484 1.528 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000367847509 154296320 /nfs/dbraw/zinc/29/63/20/154296320.db2.gz QDOJMPSEGNEBHT-GJZGRUSLSA-N 2 2 336.484 1.528 20 0 EDADLP OC[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccnc1 ZINC000367904941 154319486 /nfs/dbraw/zinc/31/94/86/154319486.db2.gz SJVFQKCMDZIPLO-SFHVURJKSA-N 2 2 326.444 1.807 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000369392472 155012214 /nfs/dbraw/zinc/01/22/14/155012214.db2.gz AKTYIVRWTKUQDD-ZACQAIPSSA-N 2 2 349.479 1.462 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000369392472 155012218 /nfs/dbraw/zinc/01/22/18/155012218.db2.gz AKTYIVRWTKUQDD-ZACQAIPSSA-N 2 2 349.479 1.462 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cccnc3C)C2)CC1 ZINC000369522709 155070980 /nfs/dbraw/zinc/07/09/80/155070980.db2.gz UXDBZVCZFXDYSI-SJORKVTESA-N 2 2 346.475 1.396 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cccnc3C)C2)CC1 ZINC000369522709 155070983 /nfs/dbraw/zinc/07/09/83/155070983.db2.gz UXDBZVCZFXDYSI-SJORKVTESA-N 2 2 346.475 1.396 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCSC3)C2)CC1 ZINC000369633346 155116608 /nfs/dbraw/zinc/11/66/08/155116608.db2.gz ZENSGMMESUHLMJ-ZIAGYGMSSA-N 2 2 326.510 1.207 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCSC3)C2)CC1 ZINC000369633346 155116610 /nfs/dbraw/zinc/11/66/10/155116610.db2.gz ZENSGMMESUHLMJ-ZIAGYGMSSA-N 2 2 326.510 1.207 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)[nH]1 ZINC000371595350 156022540 /nfs/dbraw/zinc/02/25/40/156022540.db2.gz DKFIWOKEXCPBJT-GUYCJALGSA-N 2 2 345.447 1.708 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)[nH]1 ZINC000371595350 156022544 /nfs/dbraw/zinc/02/25/44/156022544.db2.gz DKFIWOKEXCPBJT-GUYCJALGSA-N 2 2 345.447 1.708 20 0 EDADLP CN(C)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371975599 156192886 /nfs/dbraw/zinc/19/28/86/156192886.db2.gz VTIRWICGTYVDQS-LJQANCHMSA-N 2 2 344.503 1.993 20 0 EDADLP CN(C)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371975599 156192889 /nfs/dbraw/zinc/19/28/89/156192889.db2.gz VTIRWICGTYVDQS-LJQANCHMSA-N 2 2 344.503 1.993 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C3CC[NH+](CC(F)F)CC3)CC[C@@H]21 ZINC000373917193 157063940 /nfs/dbraw/zinc/06/39/40/157063940.db2.gz VMXPSTUFWSWRQK-GJZGRUSLSA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)C3CC[NH+](CC(F)F)CC3)CC[C@@H]21 ZINC000373917193 157063941 /nfs/dbraw/zinc/06/39/41/157063941.db2.gz VMXPSTUFWSWRQK-GJZGRUSLSA-N 2 2 329.435 1.906 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C(C)C ZINC000374420685 157285365 /nfs/dbraw/zinc/28/53/65/157285365.db2.gz MEIKUHIKSXMLSI-IXDOHACOSA-N 2 2 325.497 1.815 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C(C)C ZINC000374420685 157285367 /nfs/dbraw/zinc/28/53/67/157285367.db2.gz MEIKUHIKSXMLSI-IXDOHACOSA-N 2 2 325.497 1.815 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374420248 157285573 /nfs/dbraw/zinc/28/55/73/157285573.db2.gz KYZXGUXBYGPJKC-GUDVDZBRSA-N 2 2 345.487 1.795 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374420248 157285576 /nfs/dbraw/zinc/28/55/76/157285576.db2.gz KYZXGUXBYGPJKC-GUDVDZBRSA-N 2 2 345.487 1.795 20 0 EDADLP C[C@H]1CN(Cc2cn3cccnc3n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374625771 157349907 /nfs/dbraw/zinc/34/99/07/157349907.db2.gz UMPQKVNTTGLSSV-HNNXBMFYSA-N 2 2 328.464 1.330 20 0 EDADLP C[C@H]1CN(Cc2cn3cccnc3n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374625771 157349910 /nfs/dbraw/zinc/34/99/10/157349910.db2.gz UMPQKVNTTGLSSV-HNNXBMFYSA-N 2 2 328.464 1.330 20 0 EDADLP C[C@@H](NC(=O)c1cccn1C1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000378208342 158109828 /nfs/dbraw/zinc/10/98/28/158109828.db2.gz VUWPJKYDIZONMV-CABCVRRESA-N 2 2 334.464 1.252 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378370881 158154918 /nfs/dbraw/zinc/15/49/18/158154918.db2.gz OOMMHQVOTWEZEH-HUUCEWRRSA-N 2 2 345.491 1.142 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378370881 158154921 /nfs/dbraw/zinc/15/49/21/158154921.db2.gz OOMMHQVOTWEZEH-HUUCEWRRSA-N 2 2 345.491 1.142 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000378436646 158173231 /nfs/dbraw/zinc/17/32/31/158173231.db2.gz QXPDUIHEVKCDDC-MRXNPFEDSA-N 2 2 348.535 1.251 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000378436646 158173233 /nfs/dbraw/zinc/17/32/33/158173233.db2.gz QXPDUIHEVKCDDC-MRXNPFEDSA-N 2 2 348.535 1.251 20 0 EDADLP CC(C)Cn1ncnc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378510021 158195371 /nfs/dbraw/zinc/19/53/71/158195371.db2.gz YYBDZZNZHALZBX-KRWDZBQOSA-N 2 2 334.512 1.534 20 0 EDADLP CC(C)Cn1ncnc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378510021 158195372 /nfs/dbraw/zinc/19/53/72/158195372.db2.gz YYBDZZNZHALZBX-KRWDZBQOSA-N 2 2 334.512 1.534 20 0 EDADLP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H]3c3[nH]cc[nH+]3)ccn2)CC1 ZINC000378513129 158196837 /nfs/dbraw/zinc/19/68/37/158196837.db2.gz AEFCPFARTSSWPU-OAHLLOKOSA-N 2 2 340.431 1.534 20 0 EDADLP CC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)CC1 ZINC000352133806 162001526 /nfs/dbraw/zinc/00/15/26/162001526.db2.gz JSWUJDBGRYQRFD-MRXNPFEDSA-N 2 2 349.479 1.084 20 0 EDADLP CC[NH+]1CCC(NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)CC1 ZINC000352133806 162001530 /nfs/dbraw/zinc/00/15/30/162001530.db2.gz JSWUJDBGRYQRFD-MRXNPFEDSA-N 2 2 349.479 1.084 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3CCCOC3)CC2)c1 ZINC000352185576 162038639 /nfs/dbraw/zinc/03/86/39/162038639.db2.gz DNSMOGBBMUOOGG-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3CCCOC3)CC2)c1 ZINC000352185576 162038642 /nfs/dbraw/zinc/03/86/42/162038642.db2.gz DNSMOGBBMUOOGG-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000352388376 162156128 /nfs/dbraw/zinc/15/61/28/162156128.db2.gz OTCHLBZCRFPQTN-UHFFFAOYSA-N 2 2 343.422 1.181 20 0 EDADLP CC(C)[C@H](NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352478259 162203224 /nfs/dbraw/zinc/20/32/24/162203224.db2.gz USNZDIRBUXQGDL-ICSRJNTNSA-N 2 2 344.503 1.479 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352520094 162226535 /nfs/dbraw/zinc/22/65/35/162226535.db2.gz VDBVMPSKKXQVFC-DAYGRLMNSA-N 2 2 348.466 1.371 20 0 EDADLP COc1cccc(OC)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364229566 162321566 /nfs/dbraw/zinc/32/15/66/162321566.db2.gz HOYNFEVLVOFOBE-CQSZACIVSA-N 2 2 347.459 1.602 20 0 EDADLP COc1cccc(OC)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364229566 162321570 /nfs/dbraw/zinc/32/15/70/162321570.db2.gz HOYNFEVLVOFOBE-CQSZACIVSA-N 2 2 347.459 1.602 20 0 EDADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000167967056 226204288 /nfs/dbraw/zinc/20/42/88/226204288.db2.gz IJIXPZXKVSFJGS-IBGZPJMESA-N 2 2 339.439 1.637 20 0 EDADLP CCC1([NH+]2CCCC2)CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000639987247 452316917 /nfs/dbraw/zinc/31/69/17/452316917.db2.gz ZLMPCJGDPSPLRR-UHFFFAOYSA-N 2 2 329.510 1.362 20 0 EDADLP CO[C@@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122724208 222145243 /nfs/dbraw/zinc/14/52/43/222145243.db2.gz AKSBNKVCBYGDSC-DLBZAZTESA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000123437987 222277001 /nfs/dbraw/zinc/27/70/01/222277001.db2.gz WFZMBRQGXVSNDS-PBHICJAKSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@H+]1C ZINC000123437987 222277006 /nfs/dbraw/zinc/27/70/06/222277006.db2.gz WFZMBRQGXVSNDS-PBHICJAKSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[NH+]1C ZINC000123437987 222277009 /nfs/dbraw/zinc/27/70/09/222277009.db2.gz WFZMBRQGXVSNDS-PBHICJAKSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[NH+]1C ZINC000123437987 222277010 /nfs/dbraw/zinc/27/70/10/222277010.db2.gz WFZMBRQGXVSNDS-PBHICJAKSA-N 2 2 346.475 1.741 20 0 EDADLP C[NH+](C)CCCOc1ccc(CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000171530707 227125895 /nfs/dbraw/zinc/12/58/95/227125895.db2.gz PZZYZPKNNBHJDU-UHFFFAOYSA-N 2 2 345.447 1.713 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000131564517 287512749 /nfs/dbraw/zinc/51/27/49/287512749.db2.gz XTAISYIPHDOXLT-LJQANCHMSA-N 2 2 349.475 1.090 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000238021013 273013669 /nfs/dbraw/zinc/01/36/69/273013669.db2.gz ADTBIQMDYBZQRN-QZTJIDSGSA-N 2 2 331.460 1.766 20 0 EDADLP CN1CCN(c2cc(N[C@@H]3CCC[C@@H]([NH+](C)C)C3)[nH+]cn2)CC1=O ZINC000274889895 268231233 /nfs/dbraw/zinc/23/12/33/268231233.db2.gz JFDZXLOKXCXVPU-ZIAGYGMSSA-N 2 2 332.452 1.040 20 0 EDADLP CN1CCN(c2cc(N[C@@H]3CCC[C@@H]([NH+](C)C)C3)nc[nH+]2)CC1=O ZINC000274889895 268231236 /nfs/dbraw/zinc/23/12/36/268231236.db2.gz JFDZXLOKXCXVPU-ZIAGYGMSSA-N 2 2 332.452 1.040 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000275220383 268303048 /nfs/dbraw/zinc/30/30/48/268303048.db2.gz LBFZXLBGCNDHIL-UHFFFAOYSA-N 2 2 330.476 1.256 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000275509133 268353153 /nfs/dbraw/zinc/35/31/53/268353153.db2.gz ZFRTZYBPUKTHAD-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000275509133 268353154 /nfs/dbraw/zinc/35/31/54/268353154.db2.gz ZFRTZYBPUKTHAD-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NCc3[nH+]ccn3C)c2)CC1 ZINC000275876882 268380644 /nfs/dbraw/zinc/38/06/44/268380644.db2.gz WHRBZSMYQKPCSE-UHFFFAOYSA-N 2 2 327.432 1.696 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000654499909 452576019 /nfs/dbraw/zinc/57/60/19/452576019.db2.gz XSBMLQVWRUOZTH-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000654499909 452576030 /nfs/dbraw/zinc/57/60/30/452576030.db2.gz XSBMLQVWRUOZTH-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000275613578 273113415 /nfs/dbraw/zinc/11/34/15/273113415.db2.gz LWPQZSFYRMTTOW-UHFFFAOYSA-N 2 2 343.431 1.132 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)nc2)CC1 ZINC000279620602 273313108 /nfs/dbraw/zinc/31/31/08/273313108.db2.gz YFPVDSGNBOLHPV-INIZCTEOSA-N 2 2 329.448 1.399 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)nc2)CC1 ZINC000279620602 273313110 /nfs/dbraw/zinc/31/31/10/273313110.db2.gz YFPVDSGNBOLHPV-INIZCTEOSA-N 2 2 329.448 1.399 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000280774572 273396650 /nfs/dbraw/zinc/39/66/50/273396650.db2.gz SEPNZWKCUMQJPM-HNNXBMFYSA-N 2 2 332.448 1.475 20 0 EDADLP COC[C@@](C)(CCO)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283908780 274006504 /nfs/dbraw/zinc/00/65/04/274006504.db2.gz BTICGLWKNPARLE-RTBURBONSA-N 2 2 336.476 1.655 20 0 EDADLP COC[C@@](C)(CCO)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283908780 274006506 /nfs/dbraw/zinc/00/65/06/274006506.db2.gz BTICGLWKNPARLE-RTBURBONSA-N 2 2 336.476 1.655 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284411004 274192133 /nfs/dbraw/zinc/19/21/33/274192133.db2.gz HWTDCALMPFIKQB-KZNAEPCWSA-N 2 2 331.460 1.091 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284411004 274192134 /nfs/dbraw/zinc/19/21/34/274192134.db2.gz HWTDCALMPFIKQB-KZNAEPCWSA-N 2 2 331.460 1.091 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c[nH+]1 ZINC000284514113 274230179 /nfs/dbraw/zinc/23/01/79/274230179.db2.gz QUZRLSLYMWUFTB-AWEZNQCLSA-N 2 2 349.479 1.000 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCOC ZINC000347445425 276049136 /nfs/dbraw/zinc/04/91/36/276049136.db2.gz JJAQEWFGHPWFFQ-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCOC ZINC000347445425 276049137 /nfs/dbraw/zinc/04/91/37/276049137.db2.gz JJAQEWFGHPWFFQ-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](C)[C@H](C)[NH3+])CCCC2)no1 ZINC000493760980 276111125 /nfs/dbraw/zinc/11/11/25/276111125.db2.gz ASPHYWMPGGNEPJ-OLZOCXBDSA-N 2 2 337.468 1.780 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000363418724 276212078 /nfs/dbraw/zinc/21/20/78/276212078.db2.gz KGEFASNLDUVQNL-WBVHZDCISA-N 2 2 334.464 1.451 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC000364012059 277028153 /nfs/dbraw/zinc/02/81/53/277028153.db2.gz KGDGBEJUORYHPG-KRWDZBQOSA-N 2 2 342.487 1.622 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3Cc4ccccc4C3)C2)CC1 ZINC000364012059 277028154 /nfs/dbraw/zinc/02/81/54/277028154.db2.gz KGDGBEJUORYHPG-KRWDZBQOSA-N 2 2 342.487 1.622 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)nc[nH+]1 ZINC000375804401 277043086 /nfs/dbraw/zinc/04/30/86/277043086.db2.gz HZCJTQPRQACQRE-VQHPVUNQSA-N 3 2 344.507 1.950 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)nc[nH+]1 ZINC000375804401 277043088 /nfs/dbraw/zinc/04/30/88/277043088.db2.gz HZCJTQPRQACQRE-VQHPVUNQSA-N 3 2 344.507 1.950 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC000343305846 277120156 /nfs/dbraw/zinc/12/01/56/277120156.db2.gz VLOFRUDIUIVOPN-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)C[C@@H]21 ZINC000343305846 277120157 /nfs/dbraw/zinc/12/01/57/277120157.db2.gz VLOFRUDIUIVOPN-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]21 ZINC000343305846 277120159 /nfs/dbraw/zinc/12/01/59/277120159.db2.gz VLOFRUDIUIVOPN-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]21 ZINC000343305846 277120160 /nfs/dbraw/zinc/12/01/60/277120160.db2.gz VLOFRUDIUIVOPN-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000288795698 277121316 /nfs/dbraw/zinc/12/13/16/277121316.db2.gz CQMQTSVLZFGNPJ-KRWDZBQOSA-N 2 2 339.455 1.855 20 0 EDADLP COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000288795698 277121319 /nfs/dbraw/zinc/12/13/19/277121319.db2.gz CQMQTSVLZFGNPJ-KRWDZBQOSA-N 2 2 339.455 1.855 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CC[C@H](n4c[nH+]c5c4CCCC5)C3)c2C1 ZINC000330289119 277190501 /nfs/dbraw/zinc/19/05/01/277190501.db2.gz DQHJEMKGSXILEH-AWEZNQCLSA-N 2 2 338.459 1.991 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CC[C@H](n4c[nH+]c5c4CCCC5)C3)c2C1 ZINC000330289119 277190502 /nfs/dbraw/zinc/19/05/02/277190502.db2.gz DQHJEMKGSXILEH-AWEZNQCLSA-N 2 2 338.459 1.991 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367850122 278081411 /nfs/dbraw/zinc/08/14/11/278081411.db2.gz RXSDOHLZBATRJT-KRWDZBQOSA-N 2 2 346.475 1.621 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367850122 278081413 /nfs/dbraw/zinc/08/14/13/278081413.db2.gz RXSDOHLZBATRJT-KRWDZBQOSA-N 2 2 346.475 1.621 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000286609839 288045283 /nfs/dbraw/zinc/04/52/83/288045283.db2.gz UGQIDAMIHJWVFL-HOCLYGCPSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000352783432 288048756 /nfs/dbraw/zinc/04/87/56/288048756.db2.gz YDSPVWGEPDMUGG-HZPDHXFCSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000352783432 288048757 /nfs/dbraw/zinc/04/87/57/288048757.db2.gz YDSPVWGEPDMUGG-HZPDHXFCSA-N 2 2 331.460 1.683 20 0 EDADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000248423343 278498025 /nfs/dbraw/zinc/49/80/25/278498025.db2.gz GBKIWGBNOKIPIL-OKZBNKHCSA-N 2 2 335.492 1.502 20 0 EDADLP C[C@@H]1CN(C(C)(C)C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000422796716 288067719 /nfs/dbraw/zinc/06/77/19/288067719.db2.gz KHSMDAKWCHLZHD-MUIFIZLQSA-N 2 2 325.497 1.231 20 0 EDADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000286762601 288080627 /nfs/dbraw/zinc/08/06/27/288080627.db2.gz SLFUFBUJCSHWCQ-GFCCVEGCSA-N 2 2 348.834 1.511 20 0 EDADLP C[N@H+](CC(N)=O)C[C@@H]1CN(c2cc[nH+]c3c(Cl)cccc23)CCO1 ZINC000286762601 288080629 /nfs/dbraw/zinc/08/06/29/288080629.db2.gz SLFUFBUJCSHWCQ-GFCCVEGCSA-N 2 2 348.834 1.511 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000370470571 288115400 /nfs/dbraw/zinc/11/54/00/288115400.db2.gz HOFGSGGWFHTERZ-WBVHZDCISA-N 2 2 334.508 1.146 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000370470571 288115401 /nfs/dbraw/zinc/11/54/01/288115401.db2.gz HOFGSGGWFHTERZ-WBVHZDCISA-N 2 2 334.508 1.146 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C3CC3)CC2)CC1 ZINC000422025978 279258612 /nfs/dbraw/zinc/25/86/12/279258612.db2.gz UDDMNLMCLLRNAH-LJQANCHMSA-N 3 2 348.535 1.632 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C3CC3)CC2)CC1 ZINC000422025978 279258615 /nfs/dbraw/zinc/25/86/15/279258615.db2.gz UDDMNLMCLLRNAH-LJQANCHMSA-N 3 2 348.535 1.632 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000422025978 279258616 /nfs/dbraw/zinc/25/86/16/279258616.db2.gz UDDMNLMCLLRNAH-LJQANCHMSA-N 3 2 348.535 1.632 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)CC1 ZINC000422025978 279258618 /nfs/dbraw/zinc/25/86/18/279258618.db2.gz UDDMNLMCLLRNAH-LJQANCHMSA-N 3 2 348.535 1.632 20 0 EDADLP OC[C@H]1CC[C@H](CO)[NH+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000287408143 288231153 /nfs/dbraw/zinc/23/11/53/288231153.db2.gz OHUAYVZLZNLGQP-RTBURBONSA-N 2 2 333.476 1.016 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3c(C)cc[nH+]c3C)C2)CC1 ZINC000287529523 288258991 /nfs/dbraw/zinc/25/89/91/288258991.db2.gz NIHTYHMBFBUEQS-INIZCTEOSA-N 2 2 331.464 1.942 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000287594395 288273169 /nfs/dbraw/zinc/27/31/69/288273169.db2.gz ZVTFPCUAZIFFDR-NXHRZFHOSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000287594395 288273170 /nfs/dbraw/zinc/27/31/70/288273170.db2.gz ZVTFPCUAZIFFDR-NXHRZFHOSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000287594395 288273172 /nfs/dbraw/zinc/27/31/72/288273172.db2.gz ZVTFPCUAZIFFDR-NXHRZFHOSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000287594395 288273174 /nfs/dbraw/zinc/27/31/74/288273174.db2.gz ZVTFPCUAZIFFDR-NXHRZFHOSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)C[NH+]1CCOCC1 ZINC000287667096 288289635 /nfs/dbraw/zinc/28/96/35/288289635.db2.gz LZNUQVNLSJOAHW-HOTGVXAUSA-N 2 2 329.448 1.886 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000287668817 288290177 /nfs/dbraw/zinc/29/01/77/288290177.db2.gz CTPZSARXZPJSNR-TZMCWYRMSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000287668817 288290178 /nfs/dbraw/zinc/29/01/78/288290178.db2.gz CTPZSARXZPJSNR-TZMCWYRMSA-N 2 2 333.436 1.062 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)[C@@H](C)C1 ZINC000287696590 288298577 /nfs/dbraw/zinc/29/85/77/288298577.db2.gz CVPNRGLCZZCQAJ-ZDUSSCGKSA-N 2 2 329.404 1.134 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)[C@@H](C)C1 ZINC000287696590 288298578 /nfs/dbraw/zinc/29/85/78/288298578.db2.gz CVPNRGLCZZCQAJ-ZDUSSCGKSA-N 2 2 329.404 1.134 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000492310502 281639849 /nfs/dbraw/zinc/63/98/49/281639849.db2.gz FWEBPTHKGLBTHX-CYSIVNQBSA-N 2 2 334.464 1.920 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000261617171 282070233 /nfs/dbraw/zinc/07/02/33/282070233.db2.gz BKLZHVGUIAJWHH-UHFFFAOYSA-N 3 2 338.540 1.818 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000289111071 288631512 /nfs/dbraw/zinc/63/15/12/288631512.db2.gz CRXYIZOJIIVVFA-QAQDUYKDSA-N 2 2 345.491 1.085 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cn(C(C)C)nn2)nc[nH+]1 ZINC000289774920 288776423 /nfs/dbraw/zinc/77/64/23/288776423.db2.gz PQGKYJJAXJNUMC-CQSZACIVSA-N 2 2 330.440 1.449 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188959397 289145767 /nfs/dbraw/zinc/14/57/67/289145767.db2.gz IPMZDNILDGISFX-UHFFFAOYSA-N 2 2 345.422 1.399 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1ccccc1 ZINC000371697927 289207875 /nfs/dbraw/zinc/20/78/75/289207875.db2.gz ZOTIKXUGNQYWCU-KRWDZBQOSA-N 2 2 331.460 1.660 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCCOc3cccc(F)c3)C2)C1 ZINC000292078758 289256373 /nfs/dbraw/zinc/25/63/73/289256373.db2.gz FKOHLRMLZDKMPZ-SFHVURJKSA-N 2 2 335.423 1.348 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCCOc3cccc(F)c3)C2)C1 ZINC000292078758 289256376 /nfs/dbraw/zinc/25/63/76/289256376.db2.gz FKOHLRMLZDKMPZ-SFHVURJKSA-N 2 2 335.423 1.348 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCCOc3cccc(F)c3)C2)C1 ZINC000292078758 289256380 /nfs/dbraw/zinc/25/63/80/289256380.db2.gz FKOHLRMLZDKMPZ-SFHVURJKSA-N 2 2 335.423 1.348 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCCOc3cccc(F)c3)C2)C1 ZINC000292078758 289256384 /nfs/dbraw/zinc/25/63/84/289256384.db2.gz FKOHLRMLZDKMPZ-SFHVURJKSA-N 2 2 335.423 1.348 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000292174115 289280992 /nfs/dbraw/zinc/28/09/92/289280992.db2.gz WGZMJRVCYZJZFK-OALUTQOASA-N 2 2 345.487 1.578 20 0 EDADLP COc1cccc([C@@H](CNC(=O)N2CCn3c[nH+]cc3C2)[NH+](C)C)c1 ZINC000292306974 289312156 /nfs/dbraw/zinc/31/21/56/289312156.db2.gz HZIOQEJKFQDAFO-QGZVFWFLSA-N 2 2 343.431 1.720 20 0 EDADLP C[C@H](C(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000345060584 289376818 /nfs/dbraw/zinc/37/68/18/289376818.db2.gz HCRHTFKQJKIMIM-PVAVHDDUSA-N 2 2 333.501 1.638 20 0 EDADLP C[C@H](C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000345060584 289376819 /nfs/dbraw/zinc/37/68/19/289376819.db2.gz HCRHTFKQJKIMIM-PVAVHDDUSA-N 2 2 333.501 1.638 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422910989 289485274 /nfs/dbraw/zinc/48/52/74/289485274.db2.gz JTGOPDJSVRJXSS-POAQFYNOSA-N 3 2 345.487 1.943 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000420357365 295182167 /nfs/dbraw/zinc/18/21/67/295182167.db2.gz HNJYXBMWHTZBHI-BLLLJJGKSA-N 2 2 337.464 1.844 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000246530027 298730946 /nfs/dbraw/zinc/73/09/46/298730946.db2.gz WOIORKHCPVBESW-IKGGRYGDSA-N 2 2 340.512 1.517 20 0 EDADLP [NH3+]C[C@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)C1CCCCC1 ZINC000419653267 304651176 /nfs/dbraw/zinc/65/11/76/304651176.db2.gz QQKKYVUOZJTGHM-HNNXBMFYSA-N 2 2 347.463 1.024 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493390696 447316822 /nfs/dbraw/zinc/31/68/22/447316822.db2.gz SWTAZMFABOZSKM-IYKSTZQJSA-N 2 2 340.431 1.145 20 0 EDADLP CCO[C@H](C)c1nc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)cs1 ZINC000653123285 453314641 /nfs/dbraw/zinc/31/46/41/453314641.db2.gz UEMDHYNCFCAHKT-DGCLKSJQSA-N 2 2 328.482 1.478 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)c1ccco1 ZINC000414795034 447326029 /nfs/dbraw/zinc/32/60/29/447326029.db2.gz USQXAFPFGBDBGG-ZDUSSCGKSA-N 2 2 345.403 1.395 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000456206288 447326340 /nfs/dbraw/zinc/32/63/40/447326340.db2.gz DSJCPNMDBCFQKB-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000456206288 447326342 /nfs/dbraw/zinc/32/63/42/447326342.db2.gz DSJCPNMDBCFQKB-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000456206288 447326344 /nfs/dbraw/zinc/32/63/44/447326344.db2.gz DSJCPNMDBCFQKB-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000456206288 447326345 /nfs/dbraw/zinc/32/63/45/447326345.db2.gz DSJCPNMDBCFQKB-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293630605 302994868 /nfs/dbraw/zinc/99/48/68/302994868.db2.gz HMIXYTHDCPBQIA-ZBFHGGJFSA-N 2 2 348.520 1.819 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344825134 303029716 /nfs/dbraw/zinc/02/97/16/303029716.db2.gz JUTLDYOXRFMBKJ-YJBOKZPZSA-N 3 2 331.464 1.298 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000295968233 303287258 /nfs/dbraw/zinc/28/72/58/303287258.db2.gz NFAACOAQTKCFKQ-CQSZACIVSA-N 2 2 329.404 1.600 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000295968233 303287260 /nfs/dbraw/zinc/28/72/60/303287260.db2.gz NFAACOAQTKCFKQ-CQSZACIVSA-N 2 2 329.404 1.600 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000297035676 303356417 /nfs/dbraw/zinc/35/64/17/303356417.db2.gz RIQLBXAZNPQKTM-OAHLLOKOSA-N 2 2 331.420 1.563 20 0 EDADLP CCc1cc(NC2CC[NH+](CC(N)=O)CC2)nc(-c2ccncc2)[nH+]1 ZINC000301185682 303665298 /nfs/dbraw/zinc/66/52/98/303665298.db2.gz UJZJNTQIBDDMGD-UHFFFAOYSA-N 2 2 340.431 1.463 20 0 EDADLP c1nc(NC[C@@]2([NH+]3CCOCC3)CCSC2)cc(NCC2CC2)[nH+]1 ZINC000301267350 303669949 /nfs/dbraw/zinc/66/99/49/303669949.db2.gz FXMYZANNRRQGOU-KRWDZBQOSA-N 2 2 349.504 1.918 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nc(N(C)C)cc[nH+]1 ZINC000301730029 303692144 /nfs/dbraw/zinc/69/21/44/303692144.db2.gz OJQJADPJQHTGKZ-HNNXBMFYSA-N 2 2 341.463 1.560 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)O1 ZINC000448628174 447336866 /nfs/dbraw/zinc/33/68/66/447336866.db2.gz QKJLHPVEDQYCIA-GASCZTMLSA-N 2 2 343.431 1.496 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)O1 ZINC000448628174 447336868 /nfs/dbraw/zinc/33/68/68/447336868.db2.gz QKJLHPVEDQYCIA-GASCZTMLSA-N 2 2 343.431 1.496 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCOCC1 ZINC000391589179 303851256 /nfs/dbraw/zinc/85/12/56/303851256.db2.gz YNIMBLGHHZYETN-BDXSIMOUSA-N 2 2 337.508 1.770 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493524552 447341021 /nfs/dbraw/zinc/34/10/21/447341021.db2.gz NTRURKQVIJWKKS-HQQUCIOCSA-N 2 2 340.427 1.411 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000493524552 447341025 /nfs/dbraw/zinc/34/10/25/447341025.db2.gz NTRURKQVIJWKKS-HQQUCIOCSA-N 2 2 340.427 1.411 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000377761241 447341435 /nfs/dbraw/zinc/34/14/35/447341435.db2.gz NAPRRYOMKGPHIS-MRXNPFEDSA-N 2 2 343.431 1.392 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000377761241 447341439 /nfs/dbraw/zinc/34/14/39/447341439.db2.gz NAPRRYOMKGPHIS-MRXNPFEDSA-N 2 2 343.431 1.392 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1OCC(=O)N1CCCC1 ZINC000414882876 447341925 /nfs/dbraw/zinc/34/19/25/447341925.db2.gz MZBXNCJQNAPCSU-OAHLLOKOSA-N 2 2 333.432 1.148 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423194758 304889102 /nfs/dbraw/zinc/88/91/02/304889102.db2.gz YRDKNLBGSADQEU-MOPGFXCFSA-N 3 2 332.492 1.373 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000423309763 304892047 /nfs/dbraw/zinc/89/20/47/304892047.db2.gz LYHDKYZSCBIHLZ-KRWDZBQOSA-N 2 2 331.460 1.614 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000423433798 304896200 /nfs/dbraw/zinc/89/62/00/304896200.db2.gz PQPMEOFUNYTMSK-NXHRZFHOSA-N 2 2 345.487 1.892 20 0 EDADLP O=C(N1CC[NH+](Cc2ccncc2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423740377 304907266 /nfs/dbraw/zinc/90/72/66/304907266.db2.gz WYHKGJFSEAFQTA-PKOBYXMFSA-N 2 2 328.460 1.506 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423746259 304907780 /nfs/dbraw/zinc/90/77/80/304907780.db2.gz NNZJKMUJLGZRMB-ZDUSSCGKSA-N 2 2 349.866 1.487 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000423816881 304910239 /nfs/dbraw/zinc/91/02/39/304910239.db2.gz KOIZKNQMHTWBSY-GOEBONIOSA-N 2 2 337.489 1.722 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000423933783 304919024 /nfs/dbraw/zinc/91/90/24/304919024.db2.gz XESJZPNBHKQAGT-LSDHHAIUSA-N 2 2 332.448 1.517 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000427298508 304988122 /nfs/dbraw/zinc/98/81/22/304988122.db2.gz CYRYUVGRKNFQQW-GJZGRUSLSA-N 2 2 337.489 1.579 20 0 EDADLP COCCCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC[NH+](C)CC1 ZINC000427740818 304995883 /nfs/dbraw/zinc/99/58/83/304995883.db2.gz LFARCSUXXYRKMV-OAHLLOKOSA-N 2 2 334.464 1.405 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCCc1nc2ccccc2s1 ZINC000428028797 305004402 /nfs/dbraw/zinc/00/44/02/305004402.db2.gz AXCVKGQLLCKYBT-UONOGXRCSA-N 2 2 344.484 1.639 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCCc1nc2ccccc2s1 ZINC000428028797 305004403 /nfs/dbraw/zinc/00/44/03/305004403.db2.gz AXCVKGQLLCKYBT-UONOGXRCSA-N 2 2 344.484 1.639 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428035793 305004794 /nfs/dbraw/zinc/00/47/94/305004794.db2.gz QEZFOFDTPYNWPX-RTBURBONSA-N 2 2 345.487 1.912 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428035793 305004795 /nfs/dbraw/zinc/00/47/95/305004795.db2.gz QEZFOFDTPYNWPX-RTBURBONSA-N 2 2 345.487 1.912 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428037780 305004887 /nfs/dbraw/zinc/00/48/87/305004887.db2.gz VIGHLJGNBPBJAQ-MPTYRVRUSA-N 2 2 331.460 1.945 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428037780 305004888 /nfs/dbraw/zinc/00/48/88/305004888.db2.gz VIGHLJGNBPBJAQ-MPTYRVRUSA-N 2 2 331.460 1.945 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000428037863 305004920 /nfs/dbraw/zinc/00/49/20/305004920.db2.gz LJEHOUWIGMGLLC-RHSMWYFYSA-N 2 2 338.455 1.736 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000428037863 305004921 /nfs/dbraw/zinc/00/49/21/305004921.db2.gz LJEHOUWIGMGLLC-RHSMWYFYSA-N 2 2 338.455 1.736 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000428251458 305008859 /nfs/dbraw/zinc/00/88/59/305008859.db2.gz ZRGNGPHDIMIVSX-ROUUACIJSA-N 2 2 347.507 1.573 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000428251458 305008860 /nfs/dbraw/zinc/00/88/60/305008860.db2.gz ZRGNGPHDIMIVSX-ROUUACIJSA-N 2 2 347.507 1.573 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCCCOc3ccccc3F)C2)C1 ZINC000429021505 305022621 /nfs/dbraw/zinc/02/26/21/305022621.db2.gz QMLDFMYVLVDZNX-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCCCOc3ccccc3F)C2)C1 ZINC000429021505 305022622 /nfs/dbraw/zinc/02/26/22/305022622.db2.gz QMLDFMYVLVDZNX-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCCCOc3ccccc3F)C2)C1 ZINC000429021505 305022623 /nfs/dbraw/zinc/02/26/23/305022623.db2.gz QMLDFMYVLVDZNX-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCCCOc3ccccc3F)C2)C1 ZINC000429021505 305022624 /nfs/dbraw/zinc/02/26/24/305022624.db2.gz QMLDFMYVLVDZNX-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP CC[C@@H]1OCCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000429779238 305036929 /nfs/dbraw/zinc/03/69/29/305036929.db2.gz LWVZUNSUIUMRDO-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@@H]1OCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000429779238 305036930 /nfs/dbraw/zinc/03/69/30/305036930.db2.gz LWVZUNSUIUMRDO-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)CC2 ZINC000430569787 305056466 /nfs/dbraw/zinc/05/64/66/305056466.db2.gz JBAIIAXWGMLEDN-LJQANCHMSA-N 2 2 349.475 1.552 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)C1CC1 ZINC000430587455 305057448 /nfs/dbraw/zinc/05/74/48/305057448.db2.gz ZLYNTDDSNWCDOG-GOSISDBHSA-N 2 2 330.432 1.469 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430604028 305058176 /nfs/dbraw/zinc/05/81/76/305058176.db2.gz ZYGHBUMFZSKHSP-ZIAGYGMSSA-N 2 2 347.488 1.991 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430604028 305058177 /nfs/dbraw/zinc/05/81/77/305058177.db2.gz ZYGHBUMFZSKHSP-ZIAGYGMSSA-N 2 2 347.488 1.991 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000430615326 305059234 /nfs/dbraw/zinc/05/92/34/305059234.db2.gz BHWNXZKXERUFPA-PMPSAXMXSA-N 2 2 347.459 1.263 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000430615326 305059235 /nfs/dbraw/zinc/05/92/35/305059235.db2.gz BHWNXZKXERUFPA-PMPSAXMXSA-N 2 2 347.459 1.263 20 0 EDADLP C[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000430630640 305060132 /nfs/dbraw/zinc/06/01/32/305060132.db2.gz ZEGQXRRQCAWCSM-UHFFFAOYSA-N 2 2 345.487 1.878 20 0 EDADLP C[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000430630640 305060133 /nfs/dbraw/zinc/06/01/33/305060133.db2.gz ZEGQXRRQCAWCSM-UHFFFAOYSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430647721 305061132 /nfs/dbraw/zinc/06/11/32/305061132.db2.gz QLGFQXIBRVCXIF-IRXDYDNUSA-N 3 2 345.491 1.322 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430647721 305061133 /nfs/dbraw/zinc/06/11/33/305061133.db2.gz QLGFQXIBRVCXIF-IRXDYDNUSA-N 3 2 345.491 1.322 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1 ZINC000430646346 305061298 /nfs/dbraw/zinc/06/12/98/305061298.db2.gz OZUWDXASOJSGLS-INIZCTEOSA-N 2 2 346.475 1.337 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1 ZINC000430646346 305061299 /nfs/dbraw/zinc/06/12/99/305061299.db2.gz OZUWDXASOJSGLS-INIZCTEOSA-N 2 2 346.475 1.337 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCCO[C@H]2CCCC[C@@H]2C)C1 ZINC000430650664 305061449 /nfs/dbraw/zinc/06/14/49/305061449.db2.gz VBJXTICFJNKWPT-ULQDDVLXSA-N 2 2 325.497 1.629 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCCO[C@H]2CCCC[C@@H]2C)C1 ZINC000430650664 305061450 /nfs/dbraw/zinc/06/14/50/305061450.db2.gz VBJXTICFJNKWPT-ULQDDVLXSA-N 2 2 325.497 1.629 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000430653346 305061518 /nfs/dbraw/zinc/06/15/18/305061518.db2.gz YXTKESBZDTVBST-CHWSQXEVSA-N 2 2 336.411 1.794 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000430653346 305061519 /nfs/dbraw/zinc/06/15/19/305061519.db2.gz YXTKESBZDTVBST-CHWSQXEVSA-N 2 2 336.411 1.794 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)C1 ZINC000430666453 305061947 /nfs/dbraw/zinc/06/19/47/305061947.db2.gz OQFJVEUBRQTJJI-GOSISDBHSA-N 2 2 344.503 1.575 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)C1 ZINC000430666453 305061948 /nfs/dbraw/zinc/06/19/48/305061948.db2.gz OQFJVEUBRQTJJI-GOSISDBHSA-N 2 2 344.503 1.575 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000430758574 305064209 /nfs/dbraw/zinc/06/42/09/305064209.db2.gz CRPHDWLYJPJOPX-ZQIUZPCESA-N 2 2 349.475 1.699 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)C2 ZINC000430867092 305066434 /nfs/dbraw/zinc/06/64/34/305066434.db2.gz JBNJYJNFYDLQTG-KBPBESRZSA-N 2 2 334.464 1.380 20 0 EDADLP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430921326 305068228 /nfs/dbraw/zinc/06/82/28/305068228.db2.gz XSNDOJNFYDNYDY-WCVJEAGWSA-N 2 2 347.459 1.342 20 0 EDADLP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430921326 305068229 /nfs/dbraw/zinc/06/82/29/305068229.db2.gz XSNDOJNFYDNYDY-WCVJEAGWSA-N 2 2 347.459 1.342 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430921881 305068262 /nfs/dbraw/zinc/06/82/62/305068262.db2.gz VLXGQPKPCFBVPZ-QAPCUYQASA-N 2 2 333.476 1.899 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430921881 305068263 /nfs/dbraw/zinc/06/82/63/305068263.db2.gz VLXGQPKPCFBVPZ-QAPCUYQASA-N 2 2 333.476 1.899 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430932784 305068917 /nfs/dbraw/zinc/06/89/17/305068917.db2.gz HFDCMLZXUQDZMT-OAHLLOKOSA-N 2 2 327.432 1.030 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430932784 305068918 /nfs/dbraw/zinc/06/89/18/305068918.db2.gz HFDCMLZXUQDZMT-OAHLLOKOSA-N 2 2 327.432 1.030 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430935000 305069233 /nfs/dbraw/zinc/06/92/33/305069233.db2.gz OUBFEJUTZTYQQR-IEBWSBKVSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430935000 305069234 /nfs/dbraw/zinc/06/92/34/305069234.db2.gz OUBFEJUTZTYQQR-IEBWSBKVSA-N 3 2 344.503 1.308 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430938607 305069502 /nfs/dbraw/zinc/06/95/02/305069502.db2.gz INBHXGQXBJRWHW-INIZCTEOSA-N 3 2 348.516 1.455 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430938607 305069503 /nfs/dbraw/zinc/06/95/03/305069503.db2.gz INBHXGQXBJRWHW-INIZCTEOSA-N 3 2 348.516 1.455 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc(COC(C)C)cc2)C1 ZINC000430941014 305069615 /nfs/dbraw/zinc/06/96/15/305069615.db2.gz SXKCCQFJWKRMAH-GOSISDBHSA-N 2 2 333.476 1.769 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(COC(C)C)cc2)C1 ZINC000430941014 305069616 /nfs/dbraw/zinc/06/96/16/305069616.db2.gz SXKCCQFJWKRMAH-GOSISDBHSA-N 2 2 333.476 1.769 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000430943901 305069763 /nfs/dbraw/zinc/06/97/63/305069763.db2.gz QUIJFHXGCXSVKH-IHWZXDPASA-N 2 2 334.464 1.062 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000430943901 305069764 /nfs/dbraw/zinc/06/97/64/305069764.db2.gz QUIJFHXGCXSVKH-IHWZXDPASA-N 2 2 334.464 1.062 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430950623 305070290 /nfs/dbraw/zinc/07/02/90/305070290.db2.gz IIHYGDJAJGERBE-ZFWWWQNUSA-N 2 2 335.448 1.250 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430950623 305070291 /nfs/dbraw/zinc/07/02/91/305070291.db2.gz IIHYGDJAJGERBE-ZFWWWQNUSA-N 2 2 335.448 1.250 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430952930 305070596 /nfs/dbraw/zinc/07/05/96/305070596.db2.gz RHPZLYFBBHBZGQ-HZPDHXFCSA-N 2 2 347.459 1.216 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430952930 305070597 /nfs/dbraw/zinc/07/05/97/305070597.db2.gz RHPZLYFBBHBZGQ-HZPDHXFCSA-N 2 2 347.459 1.216 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430960649 305071011 /nfs/dbraw/zinc/07/10/11/305071011.db2.gz KSYBBCARNKMDMC-ZIAGYGMSSA-N 2 2 335.448 1.470 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430960649 305071012 /nfs/dbraw/zinc/07/10/12/305071012.db2.gz KSYBBCARNKMDMC-ZIAGYGMSSA-N 2 2 335.448 1.470 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)CC2 ZINC000430960844 305071180 /nfs/dbraw/zinc/07/11/80/305071180.db2.gz LTYWELOQJIMBOP-CZUORRHYSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)CC2 ZINC000430960844 305071181 /nfs/dbraw/zinc/07/11/81/305071181.db2.gz LTYWELOQJIMBOP-CZUORRHYSA-N 2 2 347.459 1.258 20 0 EDADLP CCN(C[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1)CC(F)(F)F ZINC000431068938 305074195 /nfs/dbraw/zinc/07/41/95/305074195.db2.gz DMTMNAMXJWKZKF-NSHDSACASA-N 2 2 349.401 1.970 20 0 EDADLP CCN(C[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1)CC(F)(F)F ZINC000431068938 305074196 /nfs/dbraw/zinc/07/41/96/305074196.db2.gz DMTMNAMXJWKZKF-NSHDSACASA-N 2 2 349.401 1.970 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)no1 ZINC000431130315 305075784 /nfs/dbraw/zinc/07/57/84/305075784.db2.gz ULSPUOYQUYJPTE-ZDUSSCGKSA-N 2 2 343.431 1.899 20 0 EDADLP Cc1noc(C)c1C(C)(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000432119469 305087528 /nfs/dbraw/zinc/08/75/28/305087528.db2.gz FQXMWMGYKUEYKH-UHFFFAOYSA-N 2 2 336.480 1.711 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000432990624 305098758 /nfs/dbraw/zinc/09/87/58/305098758.db2.gz GMCBSJKHODIQQX-ZBFHGGJFSA-N 2 2 337.468 1.671 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000432990624 305098759 /nfs/dbraw/zinc/09/87/59/305098759.db2.gz GMCBSJKHODIQQX-ZBFHGGJFSA-N 2 2 337.468 1.671 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCCCNc2cccc[nH+]2)CCCO1 ZINC000433294648 305105205 /nfs/dbraw/zinc/10/52/05/305105205.db2.gz NAWDYUULBZBOSO-MRXNPFEDSA-N 2 2 349.479 1.684 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCCCNc2cccc[nH+]2)CCCO1 ZINC000433294648 305105206 /nfs/dbraw/zinc/10/52/06/305105206.db2.gz NAWDYUULBZBOSO-MRXNPFEDSA-N 2 2 349.479 1.684 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000433303623 305105381 /nfs/dbraw/zinc/10/53/81/305105381.db2.gz LKBBAZMHCCMRLR-GOSISDBHSA-N 2 2 331.460 1.254 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000433937019 305115155 /nfs/dbraw/zinc/11/51/55/305115155.db2.gz PLRPYAZYAFPVRW-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000434482977 305123286 /nfs/dbraw/zinc/12/32/86/305123286.db2.gz KYKGUZJSQWVWPO-GOEBONIOSA-N 2 2 335.452 1.024 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000434482977 305123287 /nfs/dbraw/zinc/12/32/87/305123287.db2.gz KYKGUZJSQWVWPO-GOEBONIOSA-N 2 2 335.452 1.024 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1cnn(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426122 305140336 /nfs/dbraw/zinc/14/03/36/305140336.db2.gz GPICURAPHPAWMH-INIZCTEOSA-N 2 2 328.464 1.781 20 0 EDADLP CC[C@H](OC)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435556136 305142327 /nfs/dbraw/zinc/14/23/27/305142327.db2.gz KNDLBBABFRQGOC-GJZGRUSLSA-N 2 2 334.464 1.799 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435613839 305143245 /nfs/dbraw/zinc/14/32/45/305143245.db2.gz CRLJMYFGBIFFOV-INIZCTEOSA-N 2 2 332.448 1.401 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435613839 305143246 /nfs/dbraw/zinc/14/32/46/305143246.db2.gz CRLJMYFGBIFFOV-INIZCTEOSA-N 2 2 332.448 1.401 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435622081 305143723 /nfs/dbraw/zinc/14/37/23/305143723.db2.gz BXCWGSVFICAVCS-QZTJIDSGSA-N 2 2 344.503 1.703 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435622081 305143724 /nfs/dbraw/zinc/14/37/24/305143724.db2.gz BXCWGSVFICAVCS-QZTJIDSGSA-N 2 2 344.503 1.703 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435623446 305143792 /nfs/dbraw/zinc/14/37/92/305143792.db2.gz VDBMCTTWQSBCTH-HNNXBMFYSA-N 2 2 335.448 1.394 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435623446 305143793 /nfs/dbraw/zinc/14/37/93/305143793.db2.gz VDBMCTTWQSBCTH-HNNXBMFYSA-N 2 2 335.448 1.394 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435624668 305144000 /nfs/dbraw/zinc/14/40/00/305144000.db2.gz YHLMPJDSNVJQGE-GOSISDBHSA-N 2 2 333.476 1.913 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435624668 305144001 /nfs/dbraw/zinc/14/40/01/305144001.db2.gz YHLMPJDSNVJQGE-GOSISDBHSA-N 2 2 333.476 1.913 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624929 305144014 /nfs/dbraw/zinc/14/40/14/305144014.db2.gz GLPRFVMHEXSRBM-QGZVFWFLSA-N 2 2 346.475 1.791 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435624929 305144015 /nfs/dbraw/zinc/14/40/15/305144015.db2.gz GLPRFVMHEXSRBM-QGZVFWFLSA-N 2 2 346.475 1.791 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC000436151228 305153282 /nfs/dbraw/zinc/15/32/82/305153282.db2.gz LDLGKNMUVIRXET-UHFFFAOYSA-N 2 2 337.468 1.131 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@@H+]1C ZINC000438921476 305191245 /nfs/dbraw/zinc/19/12/45/305191245.db2.gz XDDAZSSRYJXXIL-RDJZCZTQSA-N 2 2 346.475 1.469 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@H+]1C ZINC000438921476 305191246 /nfs/dbraw/zinc/19/12/46/305191246.db2.gz XDDAZSSRYJXXIL-RDJZCZTQSA-N 2 2 346.475 1.469 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000444371232 305247296 /nfs/dbraw/zinc/24/72/96/305247296.db2.gz GESDXUUJWBVTEQ-HNNXBMFYSA-N 2 2 342.443 1.790 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000444371232 305247297 /nfs/dbraw/zinc/24/72/97/305247297.db2.gz GESDXUUJWBVTEQ-HNNXBMFYSA-N 2 2 342.443 1.790 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000447662164 305283949 /nfs/dbraw/zinc/28/39/49/305283949.db2.gz YSISAQKPEGLGHU-MRXNPFEDSA-N 2 2 325.497 1.678 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000449139411 305307704 /nfs/dbraw/zinc/30/77/04/305307704.db2.gz KYSQEDHQKJOWTQ-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)[NH+]2CCOCC2)cc1 ZINC000449331417 305311755 /nfs/dbraw/zinc/31/17/55/305311755.db2.gz YOMRAURBDQDLLV-KBAYOESNSA-N 2 2 331.460 1.340 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000449328972 305311762 /nfs/dbraw/zinc/31/17/62/305311762.db2.gz MCIYORBMIQCQQK-ZIAGYGMSSA-N 2 2 349.479 1.652 20 0 EDADLP CNC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450223132 305327637 /nfs/dbraw/zinc/32/76/37/305327637.db2.gz JQAFBUDTYMWISY-UHFFFAOYSA-N 2 2 336.798 1.895 20 0 EDADLP CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000451631220 305357516 /nfs/dbraw/zinc/35/75/16/305357516.db2.gz HSCJDLJCCSAWFA-HZPDHXFCSA-N 2 2 337.489 1.549 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC000451794819 305369405 /nfs/dbraw/zinc/36/94/05/305369405.db2.gz DTZRZKHOZWIHCM-KRWDZBQOSA-N 2 2 335.423 1.363 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC000451794819 305369406 /nfs/dbraw/zinc/36/94/06/305369406.db2.gz DTZRZKHOZWIHCM-KRWDZBQOSA-N 2 2 335.423 1.363 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nnnn2-c2ccccc2)CC1 ZINC000451975921 305375481 /nfs/dbraw/zinc/37/54/81/305375481.db2.gz ANFFMPYOPLDMLP-UHFFFAOYSA-N 2 2 343.479 1.168 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000454221742 305419223 /nfs/dbraw/zinc/41/92/23/305419223.db2.gz BZJFKOSZIDPEKI-HNNXBMFYSA-N 2 2 337.468 1.449 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)n1C ZINC000419690273 447350552 /nfs/dbraw/zinc/35/05/52/447350552.db2.gz KHZHHOUYJXVTQH-ZDUSSCGKSA-N 2 2 349.866 1.573 20 0 EDADLP Cn1ccc(/C=C\C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000493424688 305617524 /nfs/dbraw/zinc/61/75/24/305617524.db2.gz OPDRUQPMQSIFPL-ARJAWSKDSA-N 2 2 330.476 1.713 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493608181 447352631 /nfs/dbraw/zinc/35/26/31/447352631.db2.gz CCUOHKDYGNAGFF-DOOVEFGSSA-N 2 2 331.464 1.440 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)ccn12 ZINC000519422597 305768836 /nfs/dbraw/zinc/76/88/36/305768836.db2.gz ZNEMJCAPWAWXFU-HNNXBMFYSA-N 2 2 342.443 1.873 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@H]1C[C@H]1C ZINC000521211252 305786210 /nfs/dbraw/zinc/78/62/10/305786210.db2.gz ZINUJJJQWXCYSD-TWMKSMIVSA-N 2 2 345.491 1.916 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798816 447361683 /nfs/dbraw/zinc/36/16/83/447361683.db2.gz NECGPXAIAUBJSV-YPMHNXCESA-N 2 2 334.445 1.526 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798816 447361685 /nfs/dbraw/zinc/36/16/85/447361685.db2.gz NECGPXAIAUBJSV-YPMHNXCESA-N 2 2 334.445 1.526 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000377801934 447362305 /nfs/dbraw/zinc/36/23/05/447362305.db2.gz CWRJSIZHIFVXDZ-MSOLQXFVSA-N 2 2 331.460 1.671 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414929441 447360720 /nfs/dbraw/zinc/36/07/20/447360720.db2.gz NXHQCESEOIWCCG-IJEWVQPXSA-N 2 2 339.480 1.154 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000530220278 305934601 /nfs/dbraw/zinc/93/46/01/305934601.db2.gz NGVKMKGKSNQLGE-CJNGLKHVSA-N 2 2 337.489 1.872 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000535313813 306012873 /nfs/dbraw/zinc/01/28/73/306012873.db2.gz NBTHBZKRXIMLPL-GJZGRUSLSA-N 2 2 348.447 1.011 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000535313813 306012874 /nfs/dbraw/zinc/01/28/74/306012874.db2.gz NBTHBZKRXIMLPL-GJZGRUSLSA-N 2 2 348.447 1.011 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](CO)C2CCCCC2)CC1 ZINC000535430509 306013614 /nfs/dbraw/zinc/01/36/14/306013614.db2.gz KEIKFVGTCOTGRG-KRWDZBQOSA-N 2 2 340.512 1.253 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(N4CCCC4)nc3)C2)CC1 ZINC000536657490 306025028 /nfs/dbraw/zinc/02/50/28/306025028.db2.gz AGDZVNQZJNAZIB-SFHVURJKSA-N 2 2 344.507 1.289 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(N4CCCC4)nc3)C2)CC1 ZINC000536657490 306025029 /nfs/dbraw/zinc/02/50/29/306025029.db2.gz AGDZVNQZJNAZIB-SFHVURJKSA-N 2 2 344.507 1.289 20 0 EDADLP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000542466767 306054186 /nfs/dbraw/zinc/05/41/86/306054186.db2.gz AVTWPIKADQOTCI-KRWDZBQOSA-N 2 2 348.472 1.975 20 0 EDADLP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000542466767 306054187 /nfs/dbraw/zinc/05/41/87/306054187.db2.gz AVTWPIKADQOTCI-KRWDZBQOSA-N 2 2 348.472 1.975 20 0 EDADLP COCc1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)co1 ZINC000547512725 306102697 /nfs/dbraw/zinc/10/26/97/306102697.db2.gz NAOQXDGLKMIVMP-UHFFFAOYSA-N 2 2 331.376 1.220 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]CCN3C(=O)NC4(CCCC4)C3=O)n2c1 ZINC000548484363 306129477 /nfs/dbraw/zinc/12/94/77/306129477.db2.gz USFFJLLYRJCSKM-UHFFFAOYSA-N 2 2 341.415 1.597 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000548668042 306134274 /nfs/dbraw/zinc/13/42/74/306134274.db2.gz UJGBUVHUJBEUMR-NVXWUHKLSA-N 2 2 349.479 1.815 20 0 EDADLP Cc1ncc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000552067897 306174850 /nfs/dbraw/zinc/17/48/50/306174850.db2.gz YXNNGTVUXDETRB-IYBDPMFKSA-N 2 2 348.491 1.875 20 0 EDADLP Cc1ncc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000552067897 306174851 /nfs/dbraw/zinc/17/48/51/306174851.db2.gz YXNNGTVUXDETRB-IYBDPMFKSA-N 2 2 348.491 1.875 20 0 EDADLP OCc1cn([C@H]2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000552111150 306175228 /nfs/dbraw/zinc/17/52/28/306175228.db2.gz SZNAPUIJNAXWFJ-AWEZNQCLSA-N 2 2 344.444 1.855 20 0 EDADLP OCc1cn([C@H]2CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000552111150 306175229 /nfs/dbraw/zinc/17/52/29/306175229.db2.gz SZNAPUIJNAXWFJ-AWEZNQCLSA-N 2 2 344.444 1.855 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCOC ZINC000553544463 306186366 /nfs/dbraw/zinc/18/63/66/306186366.db2.gz LDFCWLAFNVGBDG-WBVHZDCISA-N 2 2 334.464 1.405 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCOC ZINC000553544463 306186367 /nfs/dbraw/zinc/18/63/67/306186367.db2.gz LDFCWLAFNVGBDG-WBVHZDCISA-N 2 2 334.464 1.405 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000556152238 306208446 /nfs/dbraw/zinc/20/84/46/306208446.db2.gz SIIGDPHPTNXHSZ-UHFFFAOYSA-N 2 2 333.480 1.640 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)[C@@H](C[NH3+])C1 ZINC000556947649 306221743 /nfs/dbraw/zinc/22/17/43/306221743.db2.gz PRKREXQTXCHVCW-INIZCTEOSA-N 2 2 328.420 1.038 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(Cn3cccn3)cc2)[C@@H](C[NH3+])C1 ZINC000556947649 306221744 /nfs/dbraw/zinc/22/17/44/306221744.db2.gz PRKREXQTXCHVCW-INIZCTEOSA-N 2 2 328.420 1.038 20 0 EDADLP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1=O ZINC000425969145 447369146 /nfs/dbraw/zinc/36/91/46/447369146.db2.gz XMGWSBVVAHKLBW-AZUAARDMSA-N 2 2 343.471 1.319 20 0 EDADLP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1=O ZINC000425969145 447369152 /nfs/dbraw/zinc/36/91/52/447369152.db2.gz XMGWSBVVAHKLBW-AZUAARDMSA-N 2 2 343.471 1.319 20 0 EDADLP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1=O ZINC000425969145 447369156 /nfs/dbraw/zinc/36/91/56/447369156.db2.gz XMGWSBVVAHKLBW-AZUAARDMSA-N 2 2 343.471 1.319 20 0 EDADLP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1=O ZINC000425969145 447369163 /nfs/dbraw/zinc/36/91/63/447369163.db2.gz XMGWSBVVAHKLBW-AZUAARDMSA-N 2 2 343.471 1.319 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000377849625 447377844 /nfs/dbraw/zinc/37/78/44/447377844.db2.gz IPIMEWGCTRXMNP-INIZCTEOSA-N 2 2 327.432 1.658 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000377849625 447377849 /nfs/dbraw/zinc/37/78/49/447377849.db2.gz IPIMEWGCTRXMNP-INIZCTEOSA-N 2 2 327.432 1.658 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCCCF)CC2)CC1 ZINC000422210255 447404929 /nfs/dbraw/zinc/40/49/29/447404929.db2.gz VKHGWRDBFWPSNB-UHFFFAOYSA-N 2 2 328.476 1.938 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCCCF)CC2)CC1 ZINC000422210255 447404934 /nfs/dbraw/zinc/40/49/34/447404934.db2.gz VKHGWRDBFWPSNB-UHFFFAOYSA-N 2 2 328.476 1.938 20 0 EDADLP Cc1cc(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc(C)[nH+]1 ZINC000422217540 447407608 /nfs/dbraw/zinc/40/76/08/447407608.db2.gz WLZVHBNBYRIKBF-UHFFFAOYSA-N 2 2 334.464 1.733 20 0 EDADLP CC(C)c1nc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc(N(C)C)n1 ZINC000378363503 447422402 /nfs/dbraw/zinc/42/24/02/447422402.db2.gz LSKYMICEOCMRNV-CQSZACIVSA-N 2 2 347.511 1.641 20 0 EDADLP CC(C)c1nc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc(N(C)C)n1 ZINC000378363503 447422409 /nfs/dbraw/zinc/42/24/09/447422409.db2.gz LSKYMICEOCMRNV-CQSZACIVSA-N 2 2 347.511 1.641 20 0 EDADLP CC(C)O[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000458585482 447422967 /nfs/dbraw/zinc/42/29/67/447422967.db2.gz IETHWVHHYHOFRM-FZNQNYSPSA-N 2 2 326.485 1.268 20 0 EDADLP O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011259 441103342 /nfs/dbraw/zinc/10/33/42/441103342.db2.gz HUJSXOFOYVHLGC-IAGOWNOFSA-N 2 2 338.448 1.201 20 0 EDADLP O[C@@H](COCc1ccco1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011259 441103345 /nfs/dbraw/zinc/10/33/45/441103345.db2.gz HUJSXOFOYVHLGC-IAGOWNOFSA-N 2 2 338.448 1.201 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NCCC[NH+]1CCOCC1 ZINC000105070295 441230262 /nfs/dbraw/zinc/23/02/62/441230262.db2.gz NEONTVZTJUKPMS-UHFFFAOYSA-N 2 2 335.452 1.295 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000105079223 441231518 /nfs/dbraw/zinc/23/15/18/441231518.db2.gz PKXMTTUSKUIEJV-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC[NH+](CC)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000047578056 441205439 /nfs/dbraw/zinc/20/54/39/441205439.db2.gz MPGPWKBAIWESLX-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000060470534 441244894 /nfs/dbraw/zinc/24/48/94/441244894.db2.gz SPLZBUDSBSSDJN-GOSISDBHSA-N 2 2 342.487 1.401 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000060470534 441244898 /nfs/dbraw/zinc/24/48/98/441244898.db2.gz SPLZBUDSBSSDJN-GOSISDBHSA-N 2 2 342.487 1.401 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CC[NH+](C4CCCC4)CC3)nc[nH+]2)C1 ZINC000105787092 441268986 /nfs/dbraw/zinc/26/89/86/441268986.db2.gz ZDBNPEAOZQPTHR-INIZCTEOSA-N 2 2 345.491 1.750 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081531778 441283855 /nfs/dbraw/zinc/28/38/55/441283855.db2.gz IKEOYGBFRDRQMV-DLBZAZTESA-N 2 2 344.459 1.409 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081531778 441283861 /nfs/dbraw/zinc/28/38/61/441283861.db2.gz IKEOYGBFRDRQMV-DLBZAZTESA-N 2 2 344.459 1.409 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105216927 441243319 /nfs/dbraw/zinc/24/33/19/441243319.db2.gz XXFZNHDRNPSSOH-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000063464924 441330086 /nfs/dbraw/zinc/33/00/86/441330086.db2.gz PEKIPXDJBQUTFA-AWEZNQCLSA-N 2 2 325.478 1.578 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000063464924 441330090 /nfs/dbraw/zinc/33/00/90/441330090.db2.gz PEKIPXDJBQUTFA-AWEZNQCLSA-N 2 2 325.478 1.578 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCC1 ZINC000073444449 441318158 /nfs/dbraw/zinc/31/81/58/441318158.db2.gz IFUAHCDEAVTGCF-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000106914050 441388813 /nfs/dbraw/zinc/38/88/13/441388813.db2.gz KOFXJIQIOJKDMG-SJORKVTESA-N 2 2 326.444 1.795 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000073947036 441372231 /nfs/dbraw/zinc/37/22/31/441372231.db2.gz IHOGJZMOCPVKGL-SJORKVTESA-N 2 2 345.491 1.002 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000073947036 441372234 /nfs/dbraw/zinc/37/22/34/441372234.db2.gz IHOGJZMOCPVKGL-SJORKVTESA-N 2 2 345.491 1.002 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000064333859 441373985 /nfs/dbraw/zinc/37/39/85/441373985.db2.gz LOMVQLRUIHUBQB-LSDHHAIUSA-N 2 2 328.416 1.324 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000064333859 441373988 /nfs/dbraw/zinc/37/39/88/441373988.db2.gz LOMVQLRUIHUBQB-LSDHHAIUSA-N 2 2 328.416 1.324 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000066045516 441500068 /nfs/dbraw/zinc/50/00/68/441500068.db2.gz OQDBIQIDZSVQQQ-GOSISDBHSA-N 2 2 332.492 1.433 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000066045516 441500071 /nfs/dbraw/zinc/50/00/71/441500071.db2.gz OQDBIQIDZSVQQQ-GOSISDBHSA-N 2 2 332.492 1.433 20 0 EDADLP CC(C)C[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000065962237 441497277 /nfs/dbraw/zinc/49/72/77/441497277.db2.gz QBRREMSBGNXXFT-UHFFFAOYSA-N 2 2 333.476 1.723 20 0 EDADLP CC(C)C[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000065962237 441497283 /nfs/dbraw/zinc/49/72/83/441497283.db2.gz QBRREMSBGNXXFT-UHFFFAOYSA-N 2 2 333.476 1.723 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@](C)(O)Cc1ccccc1 ZINC000074676367 441456605 /nfs/dbraw/zinc/45/66/05/441456605.db2.gz RWONNBVVRFFZAB-HXUWFJFHSA-N 2 2 347.503 1.465 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@](C)(O)Cc1ccccc1 ZINC000074676367 441456609 /nfs/dbraw/zinc/45/66/09/441456609.db2.gz RWONNBVVRFFZAB-HXUWFJFHSA-N 2 2 347.503 1.465 20 0 EDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000075212844 441509708 /nfs/dbraw/zinc/50/97/08/441509708.db2.gz PMUUDSOFAHPMAE-QGZVFWFLSA-N 2 2 341.459 1.068 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)CN1CC[NH+](C)CC1 ZINC000109940465 441511435 /nfs/dbraw/zinc/51/14/35/441511435.db2.gz WXIIODQQOKSGNK-UHFFFAOYSA-N 2 2 329.448 1.098 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000054044812 441555565 /nfs/dbraw/zinc/55/55/65/441555565.db2.gz GJWLULLXKDWXEP-QGZVFWFLSA-N 2 2 327.432 1.847 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000054044812 441555570 /nfs/dbraw/zinc/55/55/70/441555570.db2.gz GJWLULLXKDWXEP-QGZVFWFLSA-N 2 2 327.432 1.847 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000113512494 441612887 /nfs/dbraw/zinc/61/28/87/441612887.db2.gz MXBDBCCGFAPXJK-KRWDZBQOSA-N 2 2 332.492 1.513 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000113512494 441612892 /nfs/dbraw/zinc/61/28/92/441612892.db2.gz MXBDBCCGFAPXJK-KRWDZBQOSA-N 2 2 332.492 1.513 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC1CC[NH+](Cc2cscn2)CC1 ZINC000076049002 441585908 /nfs/dbraw/zinc/58/59/08/441585908.db2.gz HLPFJUPBACQGLE-UHFFFAOYSA-N 2 2 334.449 1.303 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1COc2ccccc21 ZINC000113185521 441585991 /nfs/dbraw/zinc/58/59/91/441585991.db2.gz ZBHFVHOBEDHPSA-QGZVFWFLSA-N 2 2 331.460 1.647 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1COc2ccccc21 ZINC000113185521 441585994 /nfs/dbraw/zinc/58/59/94/441585994.db2.gz ZBHFVHOBEDHPSA-QGZVFWFLSA-N 2 2 331.460 1.647 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000067684429 441666398 /nfs/dbraw/zinc/66/63/98/441666398.db2.gz HUCPWSWTGGIPCR-HNNXBMFYSA-N 2 2 333.480 1.791 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000067684429 441666403 /nfs/dbraw/zinc/66/64/03/441666403.db2.gz HUCPWSWTGGIPCR-HNNXBMFYSA-N 2 2 333.480 1.791 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000076571452 441659475 /nfs/dbraw/zinc/65/94/75/441659475.db2.gz YFANUKIGNZIISG-INIZCTEOSA-N 2 2 348.491 1.863 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121609303 441741692 /nfs/dbraw/zinc/74/16/92/441741692.db2.gz JDPDXYBBLOWJPK-HZMVEIRTSA-N 2 2 335.492 1.476 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121609303 441741695 /nfs/dbraw/zinc/74/16/95/441741695.db2.gz JDPDXYBBLOWJPK-HZMVEIRTSA-N 2 2 335.492 1.476 20 0 EDADLP CCC[N@@H+](CC(=O)NC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000056508228 441720716 /nfs/dbraw/zinc/72/07/16/441720716.db2.gz SCBCLIKSMPEHHD-OAHLLOKOSA-N 2 2 332.448 1.472 20 0 EDADLP CCC[N@H+](CC(=O)NC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000056508228 441720722 /nfs/dbraw/zinc/72/07/22/441720722.db2.gz SCBCLIKSMPEHHD-OAHLLOKOSA-N 2 2 332.448 1.472 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCCC[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000057014295 441772171 /nfs/dbraw/zinc/77/21/71/441772171.db2.gz GIRUYJGDTWITSY-SFHVURJKSA-N 2 2 348.491 1.619 20 0 EDADLP CN(C)c1nc(NCc2cccc(C[NH+]3CCOCC3)c2)cc[nH+]1 ZINC000077489050 441791417 /nfs/dbraw/zinc/79/14/17/441791417.db2.gz VPLGECBXTIADCE-UHFFFAOYSA-N 2 2 327.432 1.987 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000173640065 441811874 /nfs/dbraw/zinc/81/18/74/441811874.db2.gz MPRSBOPFLSARQV-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCS1 ZINC000173931650 441863872 /nfs/dbraw/zinc/86/38/72/441863872.db2.gz SQZUYICOMNKTKX-INIZCTEOSA-N 2 2 337.489 1.751 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCS1 ZINC000173931650 441863876 /nfs/dbraw/zinc/86/38/76/441863876.db2.gz SQZUYICOMNKTKX-INIZCTEOSA-N 2 2 337.489 1.751 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173966025 441870321 /nfs/dbraw/zinc/87/03/21/441870321.db2.gz BBIGLEBLTQUMBF-SJLPKXTDSA-N 2 2 331.460 1.298 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173966025 441870323 /nfs/dbraw/zinc/87/03/23/441870323.db2.gz BBIGLEBLTQUMBF-SJLPKXTDSA-N 2 2 331.460 1.298 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)NCC[NH+]1Cc2ccccc2C1 ZINC000068637109 441832761 /nfs/dbraw/zinc/83/27/61/441832761.db2.gz CYGXQDYVZFFULL-UHFFFAOYSA-N 2 2 346.475 1.414 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174237455 441905792 /nfs/dbraw/zinc/90/57/92/441905792.db2.gz ASQOIBLYSLOPJG-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174237455 441905799 /nfs/dbraw/zinc/90/57/99/441905799.db2.gz ASQOIBLYSLOPJG-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842906 441907502 /nfs/dbraw/zinc/90/75/02/441907502.db2.gz ZFDGQPNLJFWVBX-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP C[N@H+](CC(=O)NC(=O)NCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842906 441907505 /nfs/dbraw/zinc/90/75/05/441907505.db2.gz ZFDGQPNLJFWVBX-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP C[NH+](CC(=O)NC(=O)NCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842906 441907509 /nfs/dbraw/zinc/90/75/09/441907509.db2.gz ZFDGQPNLJFWVBX-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP C[NH+](CC(=O)NC(=O)NCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842906 441907511 /nfs/dbraw/zinc/90/75/11/441907511.db2.gz ZFDGQPNLJFWVBX-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000078307118 441917376 /nfs/dbraw/zinc/91/73/76/441917376.db2.gz LIVNLGHYPBUURS-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000078307118 441917381 /nfs/dbraw/zinc/91/73/81/441917381.db2.gz LIVNLGHYPBUURS-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP COC(=O)C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093458258 441885829 /nfs/dbraw/zinc/88/58/29/441885829.db2.gz ANIKARSWNHFSKF-KRWDZBQOSA-N 2 2 336.432 1.391 20 0 EDADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093458258 441885832 /nfs/dbraw/zinc/88/58/32/441885832.db2.gz ANIKARSWNHFSKF-KRWDZBQOSA-N 2 2 336.432 1.391 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000078541395 441942456 /nfs/dbraw/zinc/94/24/56/441942456.db2.gz PSAAYSSRWZIZDW-WMZOPIPTSA-N 2 2 348.491 1.179 20 0 EDADLP CC(C)Cc1noc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000174885152 441978451 /nfs/dbraw/zinc/97/84/51/441978451.db2.gz WJBNGTSUQPSHAD-MRXNPFEDSA-N 2 2 335.496 1.870 20 0 EDADLP CC(C)Cc1noc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000174885152 441978454 /nfs/dbraw/zinc/97/84/54/441978454.db2.gz WJBNGTSUQPSHAD-MRXNPFEDSA-N 2 2 335.496 1.870 20 0 EDADLP C[C@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000174737918 441961874 /nfs/dbraw/zinc/96/18/74/441961874.db2.gz GZNAHNPAVXEPII-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000174737918 441961881 /nfs/dbraw/zinc/96/18/81/441961881.db2.gz GZNAHNPAVXEPII-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000151001377 441989604 /nfs/dbraw/zinc/98/96/04/441989604.db2.gz HECOGQSMUWGGJX-WMZOPIPTSA-N 3 2 341.459 1.012 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)C1 ZINC000456721598 447445177 /nfs/dbraw/zinc/44/51/77/447445177.db2.gz QUGGGZZWRPQHJA-SJKOYZFVSA-N 2 2 346.431 1.557 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)C1 ZINC000456721598 447445180 /nfs/dbraw/zinc/44/51/80/447445180.db2.gz QUGGGZZWRPQHJA-SJKOYZFVSA-N 2 2 346.431 1.557 20 0 EDADLP Cc1c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cnn1CCC(C)C ZINC000151374334 442050371 /nfs/dbraw/zinc/05/03/71/442050371.db2.gz MJFLBQSZANUMLT-UHFFFAOYSA-N 2 2 349.523 1.993 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079761105 442084077 /nfs/dbraw/zinc/08/40/77/442084077.db2.gz NFFPHFFHHKRDNV-INIZCTEOSA-N 2 2 332.448 1.277 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079761105 442084080 /nfs/dbraw/zinc/08/40/80/442084080.db2.gz NFFPHFFHHKRDNV-INIZCTEOSA-N 2 2 332.448 1.277 20 0 EDADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccccc1 ZINC000126656108 442130792 /nfs/dbraw/zinc/13/07/92/442130792.db2.gz QVKJURWBNMABBQ-KURKYZTESA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccccc1 ZINC000126656108 442130796 /nfs/dbraw/zinc/13/07/96/442130796.db2.gz QVKJURWBNMABBQ-KURKYZTESA-N 2 2 331.460 1.659 20 0 EDADLP CCSCC[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175836801 442131741 /nfs/dbraw/zinc/13/17/41/442131741.db2.gz YDMRKGVBGAXMEW-AWEZNQCLSA-N 2 2 330.542 1.843 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccc(OC(F)F)cc2)[C@H](C[NH3+])C1 ZINC000162540102 442101146 /nfs/dbraw/zinc/10/11/46/442101146.db2.gz IYKFARLWVSZMNK-CYBMUJFWSA-N 2 2 327.375 1.322 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccc(OC(F)F)cc2)[C@H](C[NH3+])C1 ZINC000162540102 442101149 /nfs/dbraw/zinc/10/11/49/442101149.db2.gz IYKFARLWVSZMNK-CYBMUJFWSA-N 2 2 327.375 1.322 20 0 EDADLP COc1ccc([C@H](NC(=O)N(C)CC[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000176180875 442186309 /nfs/dbraw/zinc/18/63/09/442186309.db2.gz IHUADWSJAZDJBR-INIZCTEOSA-N 2 2 345.447 1.721 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000176351891 442213168 /nfs/dbraw/zinc/21/31/68/442213168.db2.gz FBKDCSSZBDPIPR-INIZCTEOSA-N 2 2 343.431 1.881 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2OC)C[C@@H]1CC ZINC000168081819 442223039 /nfs/dbraw/zinc/22/30/39/442223039.db2.gz RKFIASYRYWOWGH-MAUKXSAKSA-N 2 2 349.475 1.654 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2OC)C[C@@H]1CC ZINC000168081819 442223040 /nfs/dbraw/zinc/22/30/40/442223040.db2.gz RKFIASYRYWOWGH-MAUKXSAKSA-N 2 2 349.475 1.654 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000177050508 442290331 /nfs/dbraw/zinc/29/03/31/442290331.db2.gz FZJQXIBDGJNKAU-INIZCTEOSA-N 2 2 341.496 1.497 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000177050508 442290336 /nfs/dbraw/zinc/29/03/36/442290336.db2.gz FZJQXIBDGJNKAU-INIZCTEOSA-N 2 2 341.496 1.497 20 0 EDADLP C[C@@H]1c2ccccc2O[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177116389 442299304 /nfs/dbraw/zinc/29/93/04/442299304.db2.gz VDAXXPAWBQHOFI-RDTXWAMCSA-N 2 2 331.460 1.693 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000129059263 442300063 /nfs/dbraw/zinc/30/00/63/442300063.db2.gz VFTLLOZQQBLOAN-INIZCTEOSA-N 2 2 349.479 1.318 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000129059263 442300064 /nfs/dbraw/zinc/30/00/64/442300064.db2.gz VFTLLOZQQBLOAN-INIZCTEOSA-N 2 2 349.479 1.318 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177253663 442320426 /nfs/dbraw/zinc/32/04/26/442320426.db2.gz HWTLWWLZRAIPEK-HIFRSBDPSA-N 2 2 325.478 1.682 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177253663 442320427 /nfs/dbraw/zinc/32/04/27/442320427.db2.gz HWTLWWLZRAIPEK-HIFRSBDPSA-N 2 2 325.478 1.682 20 0 EDADLP CO[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000171242046 442332931 /nfs/dbraw/zinc/33/29/31/442332931.db2.gz AXSHETRZUIRZTH-QGZVFWFLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C[N@@H+]1C1CC1 ZINC000130352993 442344459 /nfs/dbraw/zinc/34/44/59/442344459.db2.gz MJIMCEWGYHERCV-RDJZCZTQSA-N 2 2 343.475 1.534 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C[N@H+]1C1CC1 ZINC000130352993 442344460 /nfs/dbraw/zinc/34/44/60/442344460.db2.gz MJIMCEWGYHERCV-RDJZCZTQSA-N 2 2 343.475 1.534 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000154034707 442317710 /nfs/dbraw/zinc/31/77/10/442317710.db2.gz YDCIOJPTJSAESL-INIZCTEOSA-N 2 2 348.495 1.674 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000129476981 442318745 /nfs/dbraw/zinc/31/87/45/442318745.db2.gz AXYRQUPXACARJE-OAHLLOKOSA-N 2 2 347.463 1.011 20 0 EDADLP COC(=O)[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)[C@H]1C(=O)OC ZINC000131125460 442364892 /nfs/dbraw/zinc/36/48/92/442364892.db2.gz FRMBKZDGRTXVBA-HUUCEWRRSA-N 2 2 337.420 1.398 20 0 EDADLP COC(=O)[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)[C@H]1C(=O)OC ZINC000131125460 442364895 /nfs/dbraw/zinc/36/48/95/442364895.db2.gz FRMBKZDGRTXVBA-HUUCEWRRSA-N 2 2 337.420 1.398 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131182385 442366413 /nfs/dbraw/zinc/36/64/13/442366413.db2.gz GAEKBJZDDUFIMI-GOSISDBHSA-N 2 2 344.459 1.559 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000172348691 442448499 /nfs/dbraw/zinc/44/84/99/442448499.db2.gz YULMOWKHOHZKRQ-INIZCTEOSA-N 2 2 327.476 1.785 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000172348691 442448500 /nfs/dbraw/zinc/44/85/00/442448500.db2.gz YULMOWKHOHZKRQ-INIZCTEOSA-N 2 2 327.476 1.785 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179838034 442510292 /nfs/dbraw/zinc/51/02/92/442510292.db2.gz UKDRJZZUKGZKAP-UHFFFAOYSA-N 2 2 335.496 1.528 20 0 EDADLP COC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccco1 ZINC000156673357 442508610 /nfs/dbraw/zinc/50/86/10/442508610.db2.gz CMYHOJBQMNKISQ-QGZVFWFLSA-N 2 2 337.464 1.353 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)s1 ZINC000178883059 442513147 /nfs/dbraw/zinc/51/31/47/442513147.db2.gz WOLOXCBGHSFPQZ-KRWDZBQOSA-N 2 2 344.484 1.666 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cn2c1 ZINC000186672481 442587849 /nfs/dbraw/zinc/58/78/49/442587849.db2.gz ONAQMESFZYOKKL-ZFWWWQNUSA-N 2 2 332.473 1.990 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000157567176 442593692 /nfs/dbraw/zinc/59/36/92/442593692.db2.gz SNOBCHCLHVLMGM-APWZRJJASA-N 2 2 328.460 1.671 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000157567176 442593696 /nfs/dbraw/zinc/59/36/96/442593696.db2.gz SNOBCHCLHVLMGM-APWZRJJASA-N 2 2 328.460 1.671 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000186701768 442595094 /nfs/dbraw/zinc/59/50/94/442595094.db2.gz HURSFLLYTLGSNV-RDTXWAMCSA-N 2 2 332.448 1.263 20 0 EDADLP C[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000157266390 442566024 /nfs/dbraw/zinc/56/60/24/442566024.db2.gz CHHPFWJUVIKQCT-GFCCVEGCSA-N 2 2 335.839 1.369 20 0 EDADLP C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000157266390 442566030 /nfs/dbraw/zinc/56/60/30/442566030.db2.gz CHHPFWJUVIKQCT-GFCCVEGCSA-N 2 2 335.839 1.369 20 0 EDADLP Cn1cc[nH+]c1CC1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000180616856 442635431 /nfs/dbraw/zinc/63/54/31/442635431.db2.gz RAVVVBAOSRWZBN-UHFFFAOYSA-N 2 2 332.370 1.743 20 0 EDADLP c1nc(N2CCC[C@H]([NH2+][C@@H]3CCSC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000180782374 442658884 /nfs/dbraw/zinc/65/88/84/442658884.db2.gz UKZKPDOXHPQEPV-LSDHHAIUSA-N 2 2 349.504 1.377 20 0 EDADLP CCC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000179281734 442612534 /nfs/dbraw/zinc/61/25/34/442612534.db2.gz CGXWJIFWBKKUEG-INIZCTEOSA-N 2 2 326.485 1.223 20 0 EDADLP CO[C@@H](C)CCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000181565283 442703915 /nfs/dbraw/zinc/70/39/15/442703915.db2.gz XDXVAIAHZSQLGG-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CC(C)(C)OC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000181916588 442721284 /nfs/dbraw/zinc/72/12/84/442721284.db2.gz KMBZSRXNOHAVDG-HNNXBMFYSA-N 2 2 339.480 1.252 20 0 EDADLP CC(C)(C)OC(=O)CNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000181916588 442721287 /nfs/dbraw/zinc/72/12/87/442721287.db2.gz KMBZSRXNOHAVDG-HNNXBMFYSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000182106131 442736587 /nfs/dbraw/zinc/73/65/87/442736587.db2.gz KRQIXFLGDCUDLP-OAHLLOKOSA-N 2 2 343.431 1.337 20 0 EDADLP COC(=O)CC[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000182106131 442736590 /nfs/dbraw/zinc/73/65/90/442736590.db2.gz KRQIXFLGDCUDLP-OAHLLOKOSA-N 2 2 343.431 1.337 20 0 EDADLP C[N@H+](CC(=O)N1CCCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324760 442739666 /nfs/dbraw/zinc/73/96/66/442739666.db2.gz ATDODXGUTGQFMH-HXUWFJFHSA-N 2 2 345.487 1.568 20 0 EDADLP C[N@@H+](CC(=O)N1CCCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324760 442739669 /nfs/dbraw/zinc/73/96/69/442739669.db2.gz ATDODXGUTGQFMH-HXUWFJFHSA-N 2 2 345.487 1.568 20 0 EDADLP C[NH+](CC(=O)N1CCCCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188324760 442739672 /nfs/dbraw/zinc/73/96/72/442739672.db2.gz ATDODXGUTGQFMH-HXUWFJFHSA-N 2 2 345.487 1.568 20 0 EDADLP C[NH+](CC(=O)N1CCCCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188324760 442739674 /nfs/dbraw/zinc/73/96/74/442739674.db2.gz ATDODXGUTGQFMH-HXUWFJFHSA-N 2 2 345.487 1.568 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181654489 442708448 /nfs/dbraw/zinc/70/84/48/442708448.db2.gz VBUBETPSNBRYHT-JKSUJKDBSA-N 2 2 339.443 1.865 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000265521420 442807696 /nfs/dbraw/zinc/80/76/96/442807696.db2.gz HYULKKWSHYSPND-AWEZNQCLSA-N 2 2 331.420 1.163 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCn3cccc3)CC2)CC1 ZINC000267921980 442787913 /nfs/dbraw/zinc/78/79/13/442787913.db2.gz ZFGXOAHKKSWLJE-UHFFFAOYSA-N 2 2 333.480 1.346 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)C2)CC1 ZINC000188747018 442802539 /nfs/dbraw/zinc/80/25/39/442802539.db2.gz PERSWGNIHDIAQK-HNNXBMFYSA-N 2 2 345.491 1.640 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193617537 442759856 /nfs/dbraw/zinc/75/98/56/442759856.db2.gz SHKHCOVJZJJDMY-GASCZTMLSA-N 2 2 335.423 1.156 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193617537 442759857 /nfs/dbraw/zinc/75/98/57/442759857.db2.gz SHKHCOVJZJJDMY-GASCZTMLSA-N 2 2 335.423 1.156 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193617537 442759858 /nfs/dbraw/zinc/75/98/58/442759858.db2.gz SHKHCOVJZJJDMY-GASCZTMLSA-N 2 2 335.423 1.156 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193617537 442759859 /nfs/dbraw/zinc/75/98/59/442759859.db2.gz SHKHCOVJZJJDMY-GASCZTMLSA-N 2 2 335.423 1.156 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000246796331 442813823 /nfs/dbraw/zinc/81/38/23/442813823.db2.gz MNUCTOUGYNOPNT-YOEHRIQHSA-N 2 2 348.491 1.704 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000246796331 442813827 /nfs/dbraw/zinc/81/38/27/442813827.db2.gz MNUCTOUGYNOPNT-YOEHRIQHSA-N 2 2 348.491 1.704 20 0 EDADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000246796331 442813832 /nfs/dbraw/zinc/81/38/32/442813832.db2.gz MNUCTOUGYNOPNT-YOEHRIQHSA-N 2 2 348.491 1.704 20 0 EDADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000246796331 442813838 /nfs/dbraw/zinc/81/38/38/442813838.db2.gz MNUCTOUGYNOPNT-YOEHRIQHSA-N 2 2 348.491 1.704 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193941404 442816465 /nfs/dbraw/zinc/81/64/65/442816465.db2.gz JKGMCNLLRSQGMW-AWEZNQCLSA-N 2 2 343.431 1.657 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[NH+]4CCC3CC4)CC2)[nH+]c1 ZINC000188852671 442828051 /nfs/dbraw/zinc/82/80/51/442828051.db2.gz GZYIGFBEYQKZPM-UHFFFAOYSA-N 2 2 328.460 1.913 20 0 EDADLP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000268077010 442838534 /nfs/dbraw/zinc/83/85/34/442838534.db2.gz FCPXXDVUSIIDLK-DZGCQCFKSA-N 2 2 337.489 1.602 20 0 EDADLP CC[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[NH+](CC)CC ZINC000265599590 442840684 /nfs/dbraw/zinc/84/06/84/442840684.db2.gz MIMXAFBOHPNPSK-INIZCTEOSA-N 2 2 334.464 1.655 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)/C=C/C[NH+](C)C)CC2)cc1F ZINC000265644916 442859438 /nfs/dbraw/zinc/85/94/38/442859438.db2.gz RKIPOLOUWUOCRO-SNAWJCMRSA-N 2 2 335.423 1.596 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1nc[nH]n1 ZINC000183103893 442880271 /nfs/dbraw/zinc/88/02/71/442880271.db2.gz XSRNWDALLSKXSB-CQSZACIVSA-N 2 2 349.483 1.115 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1nnc[nH]1 ZINC000183103893 442880275 /nfs/dbraw/zinc/88/02/75/442880275.db2.gz XSRNWDALLSKXSB-CQSZACIVSA-N 2 2 349.483 1.115 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000189227406 442900672 /nfs/dbraw/zinc/90/06/72/442900672.db2.gz AXGABAKJMBMJON-UHFFFAOYSA-N 2 2 328.501 1.471 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000189227406 442900677 /nfs/dbraw/zinc/90/06/77/442900677.db2.gz AXGABAKJMBMJON-UHFFFAOYSA-N 2 2 328.501 1.471 20 0 EDADLP CN(Cc1ccc(F)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179289182 318456025 /nfs/dbraw/zinc/45/60/25/318456025.db2.gz DAMMKNCDMCLLBK-UHFFFAOYSA-N 2 2 336.455 1.993 20 0 EDADLP C[C@@H](CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000248506709 442898627 /nfs/dbraw/zinc/89/86/27/442898627.db2.gz WXTZCZYCZBCOQB-ULQDDVLXSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917529 443029172 /nfs/dbraw/zinc/02/91/72/443029172.db2.gz GGTSDYVDUYSUPY-WMLDXEAASA-N 2 2 328.416 1.506 20 0 EDADLP COCCCOC1C[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000184660080 443056123 /nfs/dbraw/zinc/05/61/23/443056123.db2.gz BPZPZUJXUWGKEY-MRXNPFEDSA-N 2 2 347.459 1.751 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C(C)(C)C[NH3+])CC2)c1 ZINC000237232980 443165220 /nfs/dbraw/zinc/16/52/20/443165220.db2.gz DNDUPEYRBWSTLV-UHFFFAOYSA-N 2 2 335.448 1.333 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261796878 443169961 /nfs/dbraw/zinc/16/99/61/443169961.db2.gz GVFCMAWTDRKDRB-HNNXBMFYSA-N 2 2 345.834 1.496 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000263897164 443241505 /nfs/dbraw/zinc/24/15/05/443241505.db2.gz WRKFHANYMOPYEO-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000263897164 443241509 /nfs/dbraw/zinc/24/15/09/443241509.db2.gz WRKFHANYMOPYEO-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@H]3C[NH2+]CCO3)n2)C1 ZINC000262637249 443205282 /nfs/dbraw/zinc/20/52/82/443205282.db2.gz IFFVCDXFYICLDL-OCCSQVGLSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@H]3C[NH2+]CCO3)n2)C1 ZINC000262637249 443205284 /nfs/dbraw/zinc/20/52/84/443205284.db2.gz IFFVCDXFYICLDL-OCCSQVGLSA-N 2 2 338.477 1.692 20 0 EDADLP CC[NH+](CC)CCC[C@H](C)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000185503663 443210511 /nfs/dbraw/zinc/21/05/11/443210511.db2.gz IGXDYAZNJJGYTJ-HNNXBMFYSA-N 2 2 348.495 1.677 20 0 EDADLP CC[NH+](CC)CCC[C@H](C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000185503663 443210515 /nfs/dbraw/zinc/21/05/15/443210515.db2.gz IGXDYAZNJJGYTJ-HNNXBMFYSA-N 2 2 348.495 1.677 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3CC[NH+](C)CC3)c[nH+]2)CCO1 ZINC000266807537 443249773 /nfs/dbraw/zinc/24/97/73/443249773.db2.gz GOGQHCDRBQYAJG-CQSZACIVSA-N 2 2 332.448 1.265 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000387577688 319131999 /nfs/dbraw/zinc/13/19/99/319131999.db2.gz OXAHWKXYPBREQR-CVEARBPZSA-N 2 2 327.513 1.874 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000413566963 319278231 /nfs/dbraw/zinc/27/82/31/319278231.db2.gz AWXQPJMGLRLOGK-CYBMUJFWSA-N 2 2 327.469 1.106 20 0 EDADLP [NH3+]CC[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C(F)(F)F ZINC000415989377 319387725 /nfs/dbraw/zinc/38/77/25/319387725.db2.gz AFIOUPUAKQMBEK-ZDUSSCGKSA-N 2 2 345.369 1.189 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266930543 443293833 /nfs/dbraw/zinc/29/38/33/443293833.db2.gz OQVYOSYUFHYYJT-AWEZNQCLSA-N 2 2 345.422 1.386 20 0 EDADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCCCC1 ZINC000416814742 319463226 /nfs/dbraw/zinc/46/32/26/319463226.db2.gz FTYCTWDULRTWMK-ZDUSSCGKSA-N 2 2 332.439 1.795 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[NH2+]1 ZINC000416924891 319475868 /nfs/dbraw/zinc/47/58/68/319475868.db2.gz XRBHRYSOJCDVLN-YOEHRIQHSA-N 2 2 327.432 1.871 20 0 EDADLP CNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000264729502 443394428 /nfs/dbraw/zinc/39/44/28/443394428.db2.gz PCAGAMVFKIEERJ-JKSUJKDBSA-N 2 2 344.459 1.472 20 0 EDADLP CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000264729502 443394430 /nfs/dbraw/zinc/39/44/30/443394430.db2.gz PCAGAMVFKIEERJ-JKSUJKDBSA-N 2 2 344.459 1.472 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)[NH+](C)C)cc1 ZINC000264732147 443396127 /nfs/dbraw/zinc/39/61/27/443396127.db2.gz NFXBZMWMTQFINI-ZWKOTPCHSA-N 2 2 347.507 1.143 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)[NH+](C)C)cc1 ZINC000264732147 443396133 /nfs/dbraw/zinc/39/61/33/443396133.db2.gz NFXBZMWMTQFINI-ZWKOTPCHSA-N 2 2 347.507 1.143 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000282639296 443396416 /nfs/dbraw/zinc/39/64/16/443396416.db2.gz BMBMMMQKERMHDK-CRAIPNDOSA-N 2 2 349.450 1.752 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000282639296 443396421 /nfs/dbraw/zinc/39/64/21/443396421.db2.gz BMBMMMQKERMHDK-CRAIPNDOSA-N 2 2 349.450 1.752 20 0 EDADLP Cc1cc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000264839614 443448573 /nfs/dbraw/zinc/44/85/73/443448573.db2.gz WNILRJDVGMDMTR-MRXNPFEDSA-N 2 2 346.431 1.042 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000278840811 443458854 /nfs/dbraw/zinc/45/88/54/443458854.db2.gz KLGMASFWEWTLAP-QGZVFWFLSA-N 2 2 333.476 1.825 20 0 EDADLP C=Cn1cc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cn1 ZINC000278876480 443469858 /nfs/dbraw/zinc/46/98/58/443469858.db2.gz NOEUIBDPRQRTIW-UHFFFAOYSA-N 2 2 339.443 1.661 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)c[nH+]2)C[C@H](C)O1 ZINC000423342786 319765848 /nfs/dbraw/zinc/76/58/48/319765848.db2.gz VQXPTFUDPJUEHX-OVAAFMSASA-N 2 2 330.432 1.063 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)[nH+]c12 ZINC000423394533 319770883 /nfs/dbraw/zinc/77/08/83/319770883.db2.gz QHFGTDQLAQERIH-INIZCTEOSA-N 2 2 338.415 1.694 20 0 EDADLP C[C@@]1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000273011222 443517280 /nfs/dbraw/zinc/51/72/80/443517280.db2.gz OUYHZTSARVLAKC-LJQANCHMSA-N 2 2 331.460 1.638 20 0 EDADLP CCN1CC[NH+](CCC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000265054142 443519506 /nfs/dbraw/zinc/51/95/06/443519506.db2.gz UKTCIDBDISINAY-UHFFFAOYSA-N 2 2 328.420 1.233 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000265345940 443612038 /nfs/dbraw/zinc/61/20/38/443612038.db2.gz CVUDPDJRSNDMSV-SFHVURJKSA-N 2 2 348.491 1.389 20 0 EDADLP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NCCCn1cc[nH+]c1 ZINC000283368481 443614524 /nfs/dbraw/zinc/61/45/24/443614524.db2.gz VGWDUFUCYFQBBU-UHFFFAOYSA-N 2 2 349.479 1.162 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c[nH+]1 ZINC000272407280 443616043 /nfs/dbraw/zinc/61/60/43/443616043.db2.gz DYDSBJIPDJQTHZ-HOTGVXAUSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c[nH+]1 ZINC000272407280 443616047 /nfs/dbraw/zinc/61/60/47/443616047.db2.gz DYDSBJIPDJQTHZ-HOTGVXAUSA-N 2 2 331.464 1.773 20 0 EDADLP C[C@H](C[NH3+])N(C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000433512813 319981393 /nfs/dbraw/zinc/98/13/93/319981393.db2.gz XURJSPSMYCYUAT-CQSZACIVSA-N 2 2 338.883 1.263 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@](C)(O)C[NH+](C)C ZINC000443692118 320109477 /nfs/dbraw/zinc/10/94/77/320109477.db2.gz VIPYJEUAQGPLLQ-IBGZPJMESA-N 2 2 345.443 1.866 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394267 320187345 /nfs/dbraw/zinc/18/73/45/320187345.db2.gz NKIUZNFOYZONAS-PKOBYXMFSA-N 2 2 347.503 1.560 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394267 320187347 /nfs/dbraw/zinc/18/73/47/320187347.db2.gz NKIUZNFOYZONAS-PKOBYXMFSA-N 2 2 347.503 1.560 20 0 EDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449399059 320189292 /nfs/dbraw/zinc/18/92/92/320189292.db2.gz ZSEFGYIUOGLTBA-TZMCWYRMSA-N 2 2 345.285 1.471 20 0 EDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449399059 320189294 /nfs/dbraw/zinc/18/92/94/320189294.db2.gz ZSEFGYIUOGLTBA-TZMCWYRMSA-N 2 2 345.285 1.471 20 0 EDADLP C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451449136 320234662 /nfs/dbraw/zinc/23/46/62/320234662.db2.gz BLGIXORFRVJTLJ-GDBMZVCRSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451449136 320234665 /nfs/dbraw/zinc/23/46/65/320234665.db2.gz BLGIXORFRVJTLJ-GDBMZVCRSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000490887923 320364251 /nfs/dbraw/zinc/36/42/51/320364251.db2.gz XLTKAYDHACCFPC-QBPKDAKJSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000490887923 320364252 /nfs/dbraw/zinc/36/42/52/320364252.db2.gz XLTKAYDHACCFPC-QBPKDAKJSA-N 2 2 328.460 1.897 20 0 EDADLP O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+](CCO)CC1 ZINC000492059577 320374483 /nfs/dbraw/zinc/37/44/83/320374483.db2.gz SGDHMFVPKUHZNU-UTCJRWHESA-N 2 2 326.400 1.022 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000492938845 320391123 /nfs/dbraw/zinc/39/11/23/320391123.db2.gz BHYCYGZWNLQHSW-BQYQJAHWSA-N 2 2 347.463 1.025 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)CCC2 ZINC000518847319 320460483 /nfs/dbraw/zinc/46/04/83/320460483.db2.gz HJJOWFUCNIZHSD-LSDHHAIUSA-N 2 2 327.432 1.953 20 0 EDADLP CNC(=O)C[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000298331339 443747518 /nfs/dbraw/zinc/74/75/18/443747518.db2.gz OYYCYOQFAWQDGF-QGZVFWFLSA-N 2 2 332.492 1.621 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276518804 443732175 /nfs/dbraw/zinc/73/21/75/443732175.db2.gz CEDBZOKEJLVBOF-WAVCKPEOSA-N 2 2 339.443 1.750 20 0 EDADLP C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000276533354 443737457 /nfs/dbraw/zinc/73/74/57/443737457.db2.gz FEMZITQGRTUOAH-KXPUMZMLSA-N 2 2 339.443 1.750 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000276544179 443741865 /nfs/dbraw/zinc/74/18/65/443741865.db2.gz FHEJSPAMYZPQBW-HNNXBMFYSA-N 2 2 328.420 1.010 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000276547907 443742883 /nfs/dbraw/zinc/74/28/83/443742883.db2.gz HAKRRFOQGOSQBB-ZZGCUDHESA-N 2 2 340.427 1.422 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000276547907 443742885 /nfs/dbraw/zinc/74/28/85/443742885.db2.gz HAKRRFOQGOSQBB-ZZGCUDHESA-N 2 2 340.427 1.422 20 0 EDADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC[NH+](CCn2cccn2)CC1 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CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000564584425 321136415 /nfs/dbraw/zinc/13/64/15/321136415.db2.gz HLZJELWHIKHQTP-GOSISDBHSA-N 2 2 333.476 1.631 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000564584425 321136417 /nfs/dbraw/zinc/13/64/17/321136417.db2.gz HLZJELWHIKHQTP-GOSISDBHSA-N 2 2 333.476 1.631 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000564736057 321144490 /nfs/dbraw/zinc/14/44/90/321144490.db2.gz HOLWKPCDICESGR-KSSFIOAISA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000564736057 321144492 /nfs/dbraw/zinc/14/44/92/321144492.db2.gz HOLWKPCDICESGR-KSSFIOAISA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000564736057 321144494 /nfs/dbraw/zinc/14/44/94/321144494.db2.gz HOLWKPCDICESGR-KSSFIOAISA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000564736057 321144495 /nfs/dbraw/zinc/14/44/95/321144495.db2.gz HOLWKPCDICESGR-KSSFIOAISA-N 2 2 342.443 1.471 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn2)n1 ZINC000564824029 321150398 /nfs/dbraw/zinc/15/03/98/321150398.db2.gz PPDWEOJQQFCBIW-PKOBYXMFSA-N 2 2 341.459 1.741 20 0 EDADLP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000564855282 321151556 /nfs/dbraw/zinc/15/15/56/321151556.db2.gz DVLNHJFQTMNVNC-CVEARBPZSA-N 2 2 336.432 1.287 20 0 EDADLP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000564855282 321151558 /nfs/dbraw/zinc/15/15/58/321151558.db2.gz DVLNHJFQTMNVNC-CVEARBPZSA-N 2 2 336.432 1.287 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000565166683 321171840 /nfs/dbraw/zinc/17/18/40/321171840.db2.gz TUYJYHZUJGEIIE-LBPRGKRZSA-N 2 2 345.369 1.333 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000565454670 321186987 /nfs/dbraw/zinc/18/69/87/321186987.db2.gz VDYDDQSGUOHLIQ-QGZVFWFLSA-N 2 2 342.443 1.633 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000299618531 444096246 /nfs/dbraw/zinc/09/62/46/444096246.db2.gz ZGVFHLIZHJMIOF-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000299618531 444096252 /nfs/dbraw/zinc/09/62/52/444096252.db2.gz ZGVFHLIZHJMIOF-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000565940149 321207229 /nfs/dbraw/zinc/20/72/29/321207229.db2.gz MYKZDXQECRHFBB-HNNXBMFYSA-N 2 2 329.404 1.587 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000566089377 321214112 /nfs/dbraw/zinc/21/41/12/321214112.db2.gz IPZWPPUTVDPTFL-MAUKXSAKSA-N 2 2 331.460 1.779 20 0 EDADLP CN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1(C[NH3+])CCC1 ZINC000566303689 321225990 /nfs/dbraw/zinc/22/59/90/321225990.db2.gz FRVWZMVXRFSYSZ-UHFFFAOYSA-N 2 2 336.505 1.206 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cn2c1 ZINC000566707644 321232825 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CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)n1C ZINC000569478197 321327429 /nfs/dbraw/zinc/32/74/29/321327429.db2.gz MUZQBIDFORVYSK-INIZCTEOSA-N 2 2 342.447 1.162 20 0 EDADLP C[C@@H](CCOCc1ccccc1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570066437 321336388 /nfs/dbraw/zinc/33/63/88/321336388.db2.gz VRFCJXQIVIZWDZ-DOTOQJQBSA-N 2 2 334.464 1.266 20 0 EDADLP C[C@@H](CCOCc1ccccc1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570066437 321336390 /nfs/dbraw/zinc/33/63/90/321336390.db2.gz VRFCJXQIVIZWDZ-DOTOQJQBSA-N 2 2 334.464 1.266 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2cc(F)ccc2Br)[C@H](C[NH3+])C1 ZINC000570210789 321341074 /nfs/dbraw/zinc/34/10/74/321341074.db2.gz VYLTVSKSRPVMDH-GFCCVEGCSA-N 2 2 344.228 1.232 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2cc(F)ccc2Br)[C@H](C[NH3+])C1 ZINC000570210789 321341075 /nfs/dbraw/zinc/34/10/75/321341075.db2.gz VYLTVSKSRPVMDH-GFCCVEGCSA-N 2 2 344.228 1.232 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC(=O)N(C)[C@H](C)C3)c2cc1C ZINC000282221726 444118606 /nfs/dbraw/zinc/11/86/06/444118606.db2.gz OYTJOYSYCLCPLR-HUUCEWRRSA-N 2 2 330.432 1.177 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC(=O)N(C)[C@H](C)C3)c2cc1C ZINC000282221726 444118610 /nfs/dbraw/zinc/11/86/10/444118610.db2.gz OYTJOYSYCLCPLR-HUUCEWRRSA-N 2 2 330.432 1.177 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289492157 444157799 /nfs/dbraw/zinc/15/77/99/444157799.db2.gz JNBKLJRKHLNKSD-XOKHGSTOSA-N 2 2 326.387 1.840 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289492157 444157800 /nfs/dbraw/zinc/15/78/00/444157800.db2.gz JNBKLJRKHLNKSD-XOKHGSTOSA-N 2 2 326.387 1.840 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1)C1CC1 ZINC000289390150 444127242 /nfs/dbraw/zinc/12/72/42/444127242.db2.gz QUGIUDPGASFGHG-GOSISDBHSA-N 2 2 349.450 1.931 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1)C1CC1 ZINC000289390150 444127245 /nfs/dbraw/zinc/12/72/45/444127245.db2.gz QUGIUDPGASFGHG-GOSISDBHSA-N 2 2 349.450 1.931 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000575148917 321517499 /nfs/dbraw/zinc/51/74/99/321517499.db2.gz QFCVTUNHLBWMLQ-UHFFFAOYSA-N 3 2 345.491 1.558 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000289600077 444179551 /nfs/dbraw/zinc/17/95/51/444179551.db2.gz BOMHMBLZKGPITH-QRVBRYPASA-N 2 2 345.487 1.638 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000289600077 444179555 /nfs/dbraw/zinc/17/95/55/444179555.db2.gz BOMHMBLZKGPITH-QRVBRYPASA-N 2 2 345.487 1.638 20 0 EDADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](Cc3cccs3)CC2)[nH+]1 ZINC000301630799 444182766 /nfs/dbraw/zinc/18/27/66/444182766.db2.gz IWXZFOKTGGXHJF-UHFFFAOYSA-N 2 2 341.444 1.628 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648358 444185852 /nfs/dbraw/zinc/18/58/52/444185852.db2.gz GCEDIZAZESZDII-MOPGFXCFSA-N 2 2 336.451 1.508 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648358 444185855 /nfs/dbraw/zinc/18/58/55/444185855.db2.gz GCEDIZAZESZDII-MOPGFXCFSA-N 2 2 336.451 1.508 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648358 444185857 /nfs/dbraw/zinc/18/58/57/444185857.db2.gz GCEDIZAZESZDII-MOPGFXCFSA-N 2 2 336.451 1.508 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1)C1CC1 ZINC000289648358 444185858 /nfs/dbraw/zinc/18/58/58/444185858.db2.gz GCEDIZAZESZDII-MOPGFXCFSA-N 2 2 336.451 1.508 20 0 EDADLP CN(C)c1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000301880735 444195314 /nfs/dbraw/zinc/19/53/14/444195314.db2.gz ZRJLICLNLVXXIW-XYPWUTKMSA-N 2 2 330.480 1.290 20 0 EDADLP CN(C)c1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000301880735 444195316 /nfs/dbraw/zinc/19/53/16/444195316.db2.gz ZRJLICLNLVXXIW-XYPWUTKMSA-N 2 2 330.480 1.290 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c[nH]1 ZINC000304826480 444253613 /nfs/dbraw/zinc/25/36/13/444253613.db2.gz HGSKIMBDTSKNDS-KRWDZBQOSA-N 2 2 343.427 1.310 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c[nH]1 ZINC000304826480 444253614 /nfs/dbraw/zinc/25/36/14/444253614.db2.gz HGSKIMBDTSKNDS-KRWDZBQOSA-N 2 2 343.427 1.310 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cn2cc[nH+]c12 ZINC000297017337 444268184 /nfs/dbraw/zinc/26/81/84/444268184.db2.gz QDCSJHAPTPGYNH-CQSZACIVSA-N 2 2 345.447 1.952 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cn2cc[nH+]c12 ZINC000297017337 444268185 /nfs/dbraw/zinc/26/81/85/444268185.db2.gz QDCSJHAPTPGYNH-CQSZACIVSA-N 2 2 345.447 1.952 20 0 EDADLP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000576954851 321610786 /nfs/dbraw/zinc/61/07/86/321610786.db2.gz QFIYPEGUGSEHNY-CVEARBPZSA-N 2 2 333.476 1.630 20 0 EDADLP CC(C)C[NH+]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000302802289 444224804 /nfs/dbraw/zinc/22/48/04/444224804.db2.gz UTGPLMBAFMRIRH-INIZCTEOSA-N 2 2 333.480 1.606 20 0 EDADLP c1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc(N2CCSCC2)[nH+]1 ZINC000302886046 444229923 /nfs/dbraw/zinc/22/99/23/444229923.db2.gz LDJUKDUUZCGPIV-OAHLLOKOSA-N 2 2 349.504 1.188 20 0 EDADLP CCC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000303391355 444237192 /nfs/dbraw/zinc/23/71/92/444237192.db2.gz YZLFLGDQNYIISI-SFHVURJKSA-N 2 2 333.476 1.424 20 0 EDADLP CCC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000303391355 444237193 /nfs/dbraw/zinc/23/71/93/444237193.db2.gz YZLFLGDQNYIISI-SFHVURJKSA-N 2 2 333.476 1.424 20 0 EDADLP CCC(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000303391355 444237195 /nfs/dbraw/zinc/23/71/95/444237195.db2.gz YZLFLGDQNYIISI-SFHVURJKSA-N 2 2 333.476 1.424 20 0 EDADLP CCC(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303391355 444237196 /nfs/dbraw/zinc/23/71/96/444237196.db2.gz YZLFLGDQNYIISI-SFHVURJKSA-N 2 2 333.476 1.424 20 0 EDADLP C[C@H](O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000304018924 444239900 /nfs/dbraw/zinc/23/99/00/444239900.db2.gz XKMQZEFQOFOCJW-HNNXBMFYSA-N 2 2 335.448 1.017 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000304061320 444241528 /nfs/dbraw/zinc/24/15/28/444241528.db2.gz PHWZVAPDSMGRNA-RTBURBONSA-N 2 2 345.487 1.566 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000304061320 444241530 /nfs/dbraw/zinc/24/15/30/444241530.db2.gz PHWZVAPDSMGRNA-RTBURBONSA-N 2 2 345.487 1.566 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000304061320 444241532 /nfs/dbraw/zinc/24/15/32/444241532.db2.gz PHWZVAPDSMGRNA-RTBURBONSA-N 2 2 345.487 1.566 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000304061320 444241534 /nfs/dbraw/zinc/24/15/34/444241534.db2.gz PHWZVAPDSMGRNA-RTBURBONSA-N 2 2 345.487 1.566 20 0 EDADLP Cc1cc(CNC(=O)NCCn2cc[nH+]c2)cc(N2CCCC2)[nH+]1 ZINC000290659762 444307391 /nfs/dbraw/zinc/30/73/91/444307391.db2.gz NSOIQODSXQDMJX-UHFFFAOYSA-N 2 2 328.420 1.686 20 0 EDADLP CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CCc1c[nH+]cn1C)C2 ZINC000297732347 444325556 /nfs/dbraw/zinc/32/55/56/444325556.db2.gz SNQVPDFTBUARKH-UHFFFAOYSA-N 2 2 348.472 1.271 20 0 EDADLP CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CCc1c[nH+]cn1C)C2 ZINC000297732347 444325558 /nfs/dbraw/zinc/32/55/58/444325558.db2.gz SNQVPDFTBUARKH-UHFFFAOYSA-N 2 2 348.472 1.271 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000297651637 444313839 /nfs/dbraw/zinc/31/38/39/444313839.db2.gz FBNIKDMMQFYVEY-GJZGRUSLSA-N 2 2 347.463 1.119 20 0 EDADLP COCC(=O)N1CCC([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000310726844 444292437 /nfs/dbraw/zinc/29/24/37/444292437.db2.gz KZIIFLLUEMYSSG-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP COCC(=O)N1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310726844 444292439 /nfs/dbraw/zinc/29/24/39/444292439.db2.gz KZIIFLLUEMYSSG-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000323676197 444344981 /nfs/dbraw/zinc/34/49/81/444344981.db2.gz OXXYUNQQODEKJR-HZPDHXFCSA-N 2 2 337.489 1.653 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000323676197 444344984 /nfs/dbraw/zinc/34/49/84/444344984.db2.gz OXXYUNQQODEKJR-HZPDHXFCSA-N 2 2 337.489 1.653 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000328776693 444348217 /nfs/dbraw/zinc/34/82/17/444348217.db2.gz SPNDWRFLZZOXDR-UHFFFAOYSA-N 2 2 346.475 1.810 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000340516761 444422193 /nfs/dbraw/zinc/42/21/93/444422193.db2.gz ALLYVTSDGGZQDT-GOSISDBHSA-N 2 2 346.454 1.649 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000340516761 444422196 /nfs/dbraw/zinc/42/21/96/444422196.db2.gz ALLYVTSDGGZQDT-GOSISDBHSA-N 2 2 346.454 1.649 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000297994352 444381293 /nfs/dbraw/zinc/38/12/93/444381293.db2.gz NNVXMINDFNJZIP-UHFFFAOYSA-N 2 2 336.436 1.342 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000297994352 444381295 /nfs/dbraw/zinc/38/12/95/444381295.db2.gz NNVXMINDFNJZIP-UHFFFAOYSA-N 2 2 336.436 1.342 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)CC2)c1 ZINC000579315106 321916107 /nfs/dbraw/zinc/91/61/07/321916107.db2.gz JCFYJMXEHWBFHJ-UHFFFAOYSA-N 2 2 348.410 1.933 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@]3(C1)CCC[NH2+]C3)CCC2 ZINC000579333043 321919508 /nfs/dbraw/zinc/91/95/08/321919508.db2.gz NJFNYWQVXWPURS-YJBOKZPZSA-N 2 2 331.464 1.854 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000331354601 444468161 /nfs/dbraw/zinc/46/81/61/444468161.db2.gz PQQLQGDSVUUVQH-ZYHUDNBSSA-N 2 2 331.869 1.560 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@H+]1C ZINC000331354601 444468163 /nfs/dbraw/zinc/46/81/63/444468163.db2.gz PQQLQGDSVUUVQH-ZYHUDNBSSA-N 2 2 331.869 1.560 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C2)C1 ZINC000328715514 444439502 /nfs/dbraw/zinc/43/95/02/444439502.db2.gz SWNIUSILBMRYRL-QFBILLFUSA-N 2 2 345.491 1.607 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C2)C1 ZINC000328715514 444439505 /nfs/dbraw/zinc/43/95/05/444439505.db2.gz SWNIUSILBMRYRL-QFBILLFUSA-N 2 2 345.491 1.607 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)C2)C1 ZINC000328715514 444439508 /nfs/dbraw/zinc/43/95/08/444439508.db2.gz SWNIUSILBMRYRL-QFBILLFUSA-N 2 2 345.491 1.607 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)C2)C1 ZINC000328715514 444439511 /nfs/dbraw/zinc/43/95/11/444439511.db2.gz SWNIUSILBMRYRL-QFBILLFUSA-N 2 2 345.491 1.607 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)CN1CC[NH+]1CCOCC1 ZINC000338002544 444483562 /nfs/dbraw/zinc/48/35/62/444483562.db2.gz YEWXCLJUBYADSE-ULQDDVLXSA-N 2 2 341.471 1.428 20 0 EDADLP COCC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(C)(C)C ZINC000338011894 444486043 /nfs/dbraw/zinc/48/60/43/444486043.db2.gz JEDCFOGQSNJHGI-SFHVURJKSA-N 2 2 341.540 1.824 20 0 EDADLP COCC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(C)(C)C ZINC000338011894 444486045 /nfs/dbraw/zinc/48/60/45/444486045.db2.gz JEDCFOGQSNJHGI-SFHVURJKSA-N 2 2 341.540 1.824 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H](CO)C2CCCCC2)C[C@H](C)O1 ZINC000580074751 322006460 /nfs/dbraw/zinc/00/64/60/322006460.db2.gz FUCIYEYVRYNPOF-CYGHRXIMSA-N 2 2 328.497 1.235 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H](CO)C2CCCCC2)C[C@H](C)O1 ZINC000580074751 322006462 /nfs/dbraw/zinc/00/64/62/322006462.db2.gz FUCIYEYVRYNPOF-CYGHRXIMSA-N 2 2 328.497 1.235 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccc(OC)cc3CC2)CC1 ZINC000340757474 444500729 /nfs/dbraw/zinc/50/07/29/444500729.db2.gz NKNMBULRDYXZIW-MRXNPFEDSA-N 2 2 345.487 1.648 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccc(OC)cc3CC2)CC1 ZINC000340757474 444500732 /nfs/dbraw/zinc/50/07/32/444500732.db2.gz NKNMBULRDYXZIW-MRXNPFEDSA-N 2 2 345.487 1.648 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000580571499 322069992 /nfs/dbraw/zinc/06/99/92/322069992.db2.gz LXWOZAZFKKOSOP-SFHVURJKSA-N 2 2 348.487 1.561 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000580941444 322114731 /nfs/dbraw/zinc/11/47/31/322114731.db2.gz LUYGDBZVGZKJHH-LBPRGKRZSA-N 2 2 348.344 1.629 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000580941444 322114733 /nfs/dbraw/zinc/11/47/33/322114733.db2.gz LUYGDBZVGZKJHH-LBPRGKRZSA-N 2 2 348.344 1.629 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000581009394 322123988 /nfs/dbraw/zinc/12/39/88/322123988.db2.gz WGXQVYOMBNIVSL-LJQANCHMSA-N 2 2 344.503 1.568 20 0 EDADLP CCCOc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000581260597 322157249 /nfs/dbraw/zinc/15/72/49/322157249.db2.gz JJUJSBQKIQFAMG-GJZGRUSLSA-N 2 2 333.432 1.228 20 0 EDADLP CCCOc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000581260597 322157251 /nfs/dbraw/zinc/15/72/51/322157251.db2.gz JJUJSBQKIQFAMG-GJZGRUSLSA-N 2 2 333.432 1.228 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCN(C)C(=O)C3)c2cc1C ZINC000581662567 322205463 /nfs/dbraw/zinc/20/54/63/322205463.db2.gz OFKDSAGOTMECQB-JKSUJKDBSA-N 2 2 344.459 1.472 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1Br ZINC000581713723 322212120 /nfs/dbraw/zinc/21/21/20/322212120.db2.gz SGWKQDWSNFHHLJ-LBPRGKRZSA-N 2 2 341.253 1.864 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1Br ZINC000581713723 322212121 /nfs/dbraw/zinc/21/21/21/322212121.db2.gz SGWKQDWSNFHHLJ-LBPRGKRZSA-N 2 2 341.253 1.864 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000581892035 322229951 /nfs/dbraw/zinc/22/99/51/322229951.db2.gz WMJPZQXWHMHLTD-LBPRGKRZSA-N 2 2 328.372 1.577 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000581892035 322229954 /nfs/dbraw/zinc/22/99/54/322229954.db2.gz WMJPZQXWHMHLTD-LBPRGKRZSA-N 2 2 328.372 1.577 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)[C@@H]2C1 ZINC000329231368 444507656 /nfs/dbraw/zinc/50/76/56/444507656.db2.gz FEKNRSCCPJNTLN-BZUAXINKSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)[C@@H]2C1 ZINC000329231368 444507659 /nfs/dbraw/zinc/50/76/59/444507659.db2.gz FEKNRSCCPJNTLN-BZUAXINKSA-N 2 2 331.464 1.216 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000329391347 444560982 /nfs/dbraw/zinc/56/09/82/444560982.db2.gz VJVTVLJSQMUKRG-INIZCTEOSA-N 2 2 332.448 1.016 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332818981 444564001 /nfs/dbraw/zinc/56/40/01/444564001.db2.gz WSQTZJIWIBGHRP-KGLIPLIRSA-N 2 2 333.480 1.889 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332818981 444564004 /nfs/dbraw/zinc/56/40/04/444564004.db2.gz WSQTZJIWIBGHRP-KGLIPLIRSA-N 2 2 333.480 1.889 20 0 EDADLP C[C@H](C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000342231570 444578550 /nfs/dbraw/zinc/57/85/50/444578550.db2.gz MIHIYEWXXYOTDU-PMPSAXMXSA-N 2 2 346.537 1.488 20 0 EDADLP COCc1nc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cs1 ZINC000343725551 444548360 /nfs/dbraw/zinc/54/83/60/444548360.db2.gz GBCYFRQMMJHSKU-AWEZNQCLSA-N 2 2 338.521 1.890 20 0 EDADLP COCc1nc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cs1 ZINC000343725551 444548362 /nfs/dbraw/zinc/54/83/62/444548362.db2.gz GBCYFRQMMJHSKU-AWEZNQCLSA-N 2 2 338.521 1.890 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)nc[nH+]1 ZINC000332924364 444598000 /nfs/dbraw/zinc/59/80/00/444598000.db2.gz WGAJSLHRDQCNFF-ZNMIVQPWSA-N 2 2 346.479 1.476 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)[nH+]cn1 ZINC000332924364 444598005 /nfs/dbraw/zinc/59/80/05/444598005.db2.gz WGAJSLHRDQCNFF-ZNMIVQPWSA-N 2 2 346.479 1.476 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[nH+]cn1 ZINC000332924364 444598007 /nfs/dbraw/zinc/59/80/07/444598007.db2.gz WGAJSLHRDQCNFF-ZNMIVQPWSA-N 2 2 346.479 1.476 20 0 EDADLP C[C@H](C[NH+](C)C)Nc1cc(N[C@@H](C)C[NH+](C)C)[nH+]c2cnccc12 ZINC000343803434 444601525 /nfs/dbraw/zinc/60/15/25/444601525.db2.gz IBRAPZYKJKBCLK-KGLIPLIRSA-N 3 2 330.480 2.354 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000342279440 444610049 /nfs/dbraw/zinc/61/00/49/444610049.db2.gz FZWRSRJQVHLSPL-RCCFBDPRSA-N 2 2 337.508 1.819 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329522225 444614090 /nfs/dbraw/zinc/61/40/90/444614090.db2.gz GADKASLKANMBRP-ZBFHGGJFSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329522225 444614095 /nfs/dbraw/zinc/61/40/95/444614095.db2.gz GADKASLKANMBRP-ZBFHGGJFSA-N 2 2 332.448 1.379 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343922973 444671278 /nfs/dbraw/zinc/67/12/78/444671278.db2.gz LXKWTBFSFKWCPN-XLAORIBOSA-N 2 2 338.540 1.638 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343922973 444671279 /nfs/dbraw/zinc/67/12/79/444671279.db2.gz LXKWTBFSFKWCPN-XLAORIBOSA-N 2 2 338.540 1.638 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000333123480 444640505 /nfs/dbraw/zinc/64/05/05/444640505.db2.gz ABDBTXIWIYIEDK-QAPCUYQASA-N 2 2 331.464 1.408 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000333123480 444640509 /nfs/dbraw/zinc/64/05/09/444640509.db2.gz ABDBTXIWIYIEDK-QAPCUYQASA-N 2 2 331.464 1.408 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000342473416 444706124 /nfs/dbraw/zinc/70/61/24/444706124.db2.gz LJAOJEMJFCXVGP-MJGOQNOKSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000342473416 444706129 /nfs/dbraw/zinc/70/61/29/444706129.db2.gz LJAOJEMJFCXVGP-MJGOQNOKSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342473416 444706131 /nfs/dbraw/zinc/70/61/31/444706131.db2.gz LJAOJEMJFCXVGP-MJGOQNOKSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342473416 444706134 /nfs/dbraw/zinc/70/61/34/444706134.db2.gz LJAOJEMJFCXVGP-MJGOQNOKSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329781428 444714996 /nfs/dbraw/zinc/71/49/96/444714996.db2.gz NGRGZEOEWWVSPX-PMPSAXMXSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329781428 444714999 /nfs/dbraw/zinc/71/49/99/444714999.db2.gz NGRGZEOEWWVSPX-PMPSAXMXSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000341185949 444716450 /nfs/dbraw/zinc/71/64/50/444716450.db2.gz BYFHZENWWRSRRB-HZPDHXFCSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000341185949 444716455 /nfs/dbraw/zinc/71/64/55/444716455.db2.gz BYFHZENWWRSRRB-HZPDHXFCSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000341185949 444716460 /nfs/dbraw/zinc/71/64/60/444716460.db2.gz BYFHZENWWRSRRB-HZPDHXFCSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000341185949 444716465 /nfs/dbraw/zinc/71/64/65/444716465.db2.gz BYFHZENWWRSRRB-HZPDHXFCSA-N 3 2 339.528 1.137 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333916150 444716855 /nfs/dbraw/zinc/71/68/55/444716855.db2.gz NBWMMONEMSRYLV-GOSISDBHSA-N 2 2 327.432 1.662 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000341196217 444722442 /nfs/dbraw/zinc/72/24/42/444722442.db2.gz VLFIXJDMGBZTJN-ZIAGYGMSSA-N 2 2 327.469 1.106 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C[C@@H]1[NH3+] ZINC000333620702 444685694 /nfs/dbraw/zinc/68/56/94/444685694.db2.gz RQAPNPMSKACHFR-NWLYGAKOSA-N 2 2 338.402 1.699 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C[C@@H]1[NH3+] ZINC000333620702 444685698 /nfs/dbraw/zinc/68/56/98/444685698.db2.gz RQAPNPMSKACHFR-NWLYGAKOSA-N 2 2 338.402 1.699 20 0 EDADLP CCc1nc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc(C)[nH+]1 ZINC000342538698 444736652 /nfs/dbraw/zinc/73/66/52/444736652.db2.gz KQPPAPIWZCHKEB-UHFFFAOYSA-N 2 2 347.507 2.386 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344035418 444742944 /nfs/dbraw/zinc/74/29/44/444742944.db2.gz SIQMELYXQLMCGY-OTWHNJEPSA-N 2 2 343.471 1.034 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344035418 444742946 /nfs/dbraw/zinc/74/29/46/444742946.db2.gz SIQMELYXQLMCGY-OTWHNJEPSA-N 2 2 343.471 1.034 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000342574921 444750808 /nfs/dbraw/zinc/75/08/08/444750808.db2.gz QIUVDUYVXOCPSP-UHFFFAOYSA-N 2 2 327.432 1.713 20 0 EDADLP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1(C)C ZINC000344095000 444778940 /nfs/dbraw/zinc/77/89/40/444778940.db2.gz HAVNYCHITQSJPT-BZUAXINKSA-N 2 2 325.497 1.900 20 0 EDADLP CCCCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1(C)C ZINC000344095000 444778941 /nfs/dbraw/zinc/77/89/41/444778941.db2.gz HAVNYCHITQSJPT-BZUAXINKSA-N 2 2 325.497 1.900 20 0 EDADLP O=C1[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1CC(F)(F)F ZINC000336869655 444813843 /nfs/dbraw/zinc/81/38/43/444813843.db2.gz DHEYFBPZVRJIQP-KGLIPLIRSA-N 2 2 333.398 1.957 20 0 EDADLP O=C1[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1CC(F)(F)F ZINC000336869655 444813846 /nfs/dbraw/zinc/81/38/46/444813846.db2.gz DHEYFBPZVRJIQP-KGLIPLIRSA-N 2 2 333.398 1.957 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330023631 444814446 /nfs/dbraw/zinc/81/44/46/444814446.db2.gz IZFNVHOJYZLOKY-UHFFFAOYSA-N 2 2 330.436 1.390 20 0 EDADLP CC[N@H+]1CCCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330023631 444814451 /nfs/dbraw/zinc/81/44/51/444814451.db2.gz IZFNVHOJYZLOKY-UHFFFAOYSA-N 2 2 330.436 1.390 20 0 EDADLP C[C@@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)CS(C)(=O)=O ZINC000336872645 444817151 /nfs/dbraw/zinc/81/71/51/444817151.db2.gz QFLSDKHCUATDMJ-YESZJQIVSA-N 2 2 345.553 1.158 20 0 EDADLP C[C@@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)CS(C)(=O)=O ZINC000336872645 444817160 /nfs/dbraw/zinc/81/71/60/444817160.db2.gz QFLSDKHCUATDMJ-YESZJQIVSA-N 2 2 345.553 1.158 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000338746033 444834285 /nfs/dbraw/zinc/83/42/85/444834285.db2.gz QAUGFMYKSQMNQP-UHFFFAOYSA-N 2 2 340.431 1.996 20 0 EDADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000342763644 444854062 /nfs/dbraw/zinc/85/40/62/444854062.db2.gz CUIJYLOAVKFRJR-OAHLLOKOSA-N 2 2 339.386 1.281 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000344303871 444890243 /nfs/dbraw/zinc/89/02/43/444890243.db2.gz WNAUPYNJPBCWTQ-OAHLLOKOSA-N 2 2 335.452 1.283 20 0 EDADLP COC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC(C)(C)O1 ZINC000330553151 445030991 /nfs/dbraw/zinc/03/09/91/445030991.db2.gz YFJWXDWKFBNXBY-INIZCTEOSA-N 2 2 341.496 1.101 20 0 EDADLP COC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC(C)(C)O1 ZINC000330553151 445030998 /nfs/dbraw/zinc/03/09/98/445030998.db2.gz YFJWXDWKFBNXBY-INIZCTEOSA-N 2 2 341.496 1.101 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000337266372 445009741 /nfs/dbraw/zinc/00/97/41/445009741.db2.gz ZCRSWAFBUREEDM-RLLQIKCJSA-N 2 2 329.488 1.771 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000337266372 445009745 /nfs/dbraw/zinc/00/97/45/445009745.db2.gz ZCRSWAFBUREEDM-RLLQIKCJSA-N 2 2 329.488 1.771 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000337266372 445009748 /nfs/dbraw/zinc/00/97/48/445009748.db2.gz ZCRSWAFBUREEDM-RLLQIKCJSA-N 2 2 329.488 1.771 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000337266372 445009752 /nfs/dbraw/zinc/00/97/52/445009752.db2.gz ZCRSWAFBUREEDM-RLLQIKCJSA-N 2 2 329.488 1.771 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000337380010 445055782 /nfs/dbraw/zinc/05/57/82/445055782.db2.gz XTXWQAHKRJYDIK-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000337341783 445039554 /nfs/dbraw/zinc/03/95/54/445039554.db2.gz VBRHABIJBYKZPR-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435152 445140223 /nfs/dbraw/zinc/14/02/23/445140223.db2.gz XMRUKMGEDDIZAR-IBGZPJMESA-N 3 2 334.508 1.147 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435152 445140226 /nfs/dbraw/zinc/14/02/26/445140226.db2.gz XMRUKMGEDDIZAR-IBGZPJMESA-N 3 2 334.508 1.147 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435152 445140230 /nfs/dbraw/zinc/14/02/30/445140230.db2.gz XMRUKMGEDDIZAR-IBGZPJMESA-N 3 2 334.508 1.147 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435152 445140232 /nfs/dbraw/zinc/14/02/32/445140232.db2.gz XMRUKMGEDDIZAR-IBGZPJMESA-N 3 2 334.508 1.147 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c[nH+]1 ZINC000337543664 445129749 /nfs/dbraw/zinc/12/97/49/445129749.db2.gz MMCMNCFRAJHBER-JKSUJKDBSA-N 2 2 325.478 1.630 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345104836 445163958 /nfs/dbraw/zinc/16/39/58/445163958.db2.gz JGDZZTORHKRAHE-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP O=C(NCC[NH+]1CCC1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000337620718 445172693 /nfs/dbraw/zinc/17/26/93/445172693.db2.gz QYQKTNLMDWJHAG-CQSZACIVSA-N 2 2 338.477 1.126 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000345243233 445175083 /nfs/dbraw/zinc/17/50/83/445175083.db2.gz HYMDBZDYDCPPBG-QZWWFDLISA-N 2 2 338.496 1.220 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000345243233 445175087 /nfs/dbraw/zinc/17/50/87/445175087.db2.gz HYMDBZDYDCPPBG-QZWWFDLISA-N 2 2 338.496 1.220 20 0 EDADLP CC[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000330816448 445152472 /nfs/dbraw/zinc/15/24/72/445152472.db2.gz CAIMTHVHYLQFDV-UHFFFAOYSA-N 2 2 335.358 1.983 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343329777 445201445 /nfs/dbraw/zinc/20/14/45/445201445.db2.gz GYSZPNPZBBYTFB-MRXNPFEDSA-N 2 2 342.443 1.714 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343329777 445201446 /nfs/dbraw/zinc/20/14/46/445201446.db2.gz GYSZPNPZBBYTFB-MRXNPFEDSA-N 2 2 342.443 1.714 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)cc[nH+]1 ZINC000345924825 445202272 /nfs/dbraw/zinc/20/22/72/445202272.db2.gz RWWWTQHTNLCLFE-YOEHRIQHSA-N 2 2 342.447 1.750 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)cc[nH+]1 ZINC000345924825 445202273 /nfs/dbraw/zinc/20/22/73/445202273.db2.gz RWWWTQHTNLCLFE-YOEHRIQHSA-N 2 2 342.447 1.750 20 0 EDADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC000347907240 445255402 /nfs/dbraw/zinc/25/54/02/445255402.db2.gz UZYJQEJNIJOVOL-LSDHHAIUSA-N 2 2 331.464 1.154 20 0 EDADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000347907240 445255404 /nfs/dbraw/zinc/25/54/04/445255404.db2.gz UZYJQEJNIJOVOL-LSDHHAIUSA-N 2 2 331.464 1.154 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351760640 445311523 /nfs/dbraw/zinc/31/15/23/445311523.db2.gz VLGXFZJWBOKPEX-BBWFWOEESA-N 2 2 325.497 1.532 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351760640 445311526 /nfs/dbraw/zinc/31/15/26/445311526.db2.gz VLGXFZJWBOKPEX-BBWFWOEESA-N 2 2 325.497 1.532 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCCSC2)CC1 ZINC000354608191 445311902 /nfs/dbraw/zinc/31/19/02/445311902.db2.gz GAMFPUARCLJBPL-AWEZNQCLSA-N 2 2 328.526 1.455 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000348223454 445321031 /nfs/dbraw/zinc/32/10/31/445321031.db2.gz QUGNMJBPUKSYDD-VNHYZAJKSA-N 2 2 328.416 1.964 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000348223454 445321032 /nfs/dbraw/zinc/32/10/32/445321032.db2.gz QUGNMJBPUKSYDD-VNHYZAJKSA-N 2 2 328.416 1.964 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000348406048 445279751 /nfs/dbraw/zinc/27/97/51/445279751.db2.gz OFLSUAPAIWAELJ-QFBILLFUSA-N 2 2 346.475 1.356 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000348406048 445279756 /nfs/dbraw/zinc/27/97/56/445279756.db2.gz OFLSUAPAIWAELJ-QFBILLFUSA-N 2 2 346.475 1.356 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)Cc2ccn(C)n2)cc[nH+]1 ZINC000348165758 445298705 /nfs/dbraw/zinc/29/87/05/445298705.db2.gz IVMNZJBDSXXFIY-DZGCQCFKSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)Cc2ccn(C)n2)cc[nH+]1 ZINC000348165758 445298708 /nfs/dbraw/zinc/29/87/08/445298708.db2.gz IVMNZJBDSXXFIY-DZGCQCFKSA-N 2 2 347.442 1.325 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000348231401 445323491 /nfs/dbraw/zinc/32/34/91/445323491.db2.gz NRIXBYGKGSAURB-JKSUJKDBSA-N 2 2 325.478 1.773 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1O ZINC000351824470 445334325 /nfs/dbraw/zinc/33/43/25/445334325.db2.gz RCIDEWSSCKCOSD-WMLDXEAASA-N 2 2 349.500 1.487 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCCn3cc[nH+]c3)c2)cc[nH+]1 ZINC000348641431 445343353 /nfs/dbraw/zinc/34/33/53/445343353.db2.gz JFIDFJSGAZEGMM-UHFFFAOYSA-N 2 2 336.399 2.024 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000351862174 445346490 /nfs/dbraw/zinc/34/64/90/445346490.db2.gz NYHZHGPXAISFEQ-MELADBBJSA-N 2 2 333.432 1.844 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000351862174 445346492 /nfs/dbraw/zinc/34/64/92/445346492.db2.gz NYHZHGPXAISFEQ-MELADBBJSA-N 2 2 333.432 1.844 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000357072703 445408163 /nfs/dbraw/zinc/40/81/63/445408163.db2.gz HNZOFCXKDLOAEV-ROUUACIJSA-N 2 2 329.488 1.812 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000357072703 445408166 /nfs/dbraw/zinc/40/81/66/445408166.db2.gz HNZOFCXKDLOAEV-ROUUACIJSA-N 2 2 329.488 1.812 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000362490642 445409238 /nfs/dbraw/zinc/40/92/38/445409238.db2.gz UGOYZLKYEDKNRC-LPHOPBHVSA-N 2 2 345.487 1.927 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000362490642 445409242 /nfs/dbraw/zinc/40/92/42/445409242.db2.gz UGOYZLKYEDKNRC-LPHOPBHVSA-N 2 2 345.487 1.927 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357082384 445415221 /nfs/dbraw/zinc/41/52/21/445415221.db2.gz OCLRRGQTCZOWOR-CAOSSQGBSA-N 2 2 331.460 1.802 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357082384 445415223 /nfs/dbraw/zinc/41/52/23/445415223.db2.gz OCLRRGQTCZOWOR-CAOSSQGBSA-N 2 2 331.460 1.802 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000354857616 445427993 /nfs/dbraw/zinc/42/79/93/445427993.db2.gz AWVXSUYOVBAFPO-JKSUJKDBSA-N 2 2 345.422 1.221 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C2)CC1 ZINC000355313377 445454499 /nfs/dbraw/zinc/45/44/99/445454499.db2.gz HJLKPMZRMUQCLH-RBUKOAKNSA-N 2 2 349.519 1.678 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C2)CC1 ZINC000355313377 445454503 /nfs/dbraw/zinc/45/45/03/445454503.db2.gz HJLKPMZRMUQCLH-RBUKOAKNSA-N 2 2 349.519 1.678 20 0 EDADLP COCc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000362709769 445512470 /nfs/dbraw/zinc/51/24/70/445512470.db2.gz FYCOFDFRFFYHOP-KRWDZBQOSA-N 2 2 331.460 1.731 20 0 EDADLP COCc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000362709769 445512472 /nfs/dbraw/zinc/51/24/72/445512472.db2.gz FYCOFDFRFFYHOP-KRWDZBQOSA-N 2 2 331.460 1.731 20 0 EDADLP CCN1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1c1[nH]cc[nH+]1 ZINC000355888917 445520650 /nfs/dbraw/zinc/52/06/50/445520650.db2.gz JHHINRCOONONEY-ZIAGYGMSSA-N 2 2 328.420 1.389 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362754108 445533906 /nfs/dbraw/zinc/53/39/06/445533906.db2.gz XDPCKLBMRYNBAS-HOTGVXAUSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362754108 445533909 /nfs/dbraw/zinc/53/39/09/445533909.db2.gz XDPCKLBMRYNBAS-HOTGVXAUSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362754110 445533919 /nfs/dbraw/zinc/53/39/19/445533919.db2.gz XDPCKLBMRYNBAS-JKSUJKDBSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362754110 445533921 /nfs/dbraw/zinc/53/39/21/445533921.db2.gz XDPCKLBMRYNBAS-JKSUJKDBSA-N 2 2 349.479 1.036 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000360029416 445536050 /nfs/dbraw/zinc/53/60/50/445536050.db2.gz NFIMDEIJQWZSAC-DOTOQJQBSA-N 2 2 346.475 1.164 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000360029416 445536052 /nfs/dbraw/zinc/53/60/52/445536052.db2.gz NFIMDEIJQWZSAC-DOTOQJQBSA-N 2 2 346.475 1.164 20 0 EDADLP CCC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000359961401 445505420 /nfs/dbraw/zinc/50/54/20/445505420.db2.gz SCRVDYNOSWSJSB-RBUKOAKNSA-N 2 2 332.492 1.919 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000362697677 445505757 /nfs/dbraw/zinc/50/57/57/445505757.db2.gz LEPJIGVOJZAUAJ-SFHVURJKSA-N 2 2 339.443 1.269 20 0 EDADLP COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2c[nH+]cn2C)c1 ZINC000360100170 445566604 /nfs/dbraw/zinc/56/66/04/445566604.db2.gz XRBDJVMDCSTVQS-UHFFFAOYSA-N 2 2 345.447 1.702 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cn21 ZINC000362825444 445566998 /nfs/dbraw/zinc/56/69/98/445566998.db2.gz HNPJHAPHTJJUML-MRXNPFEDSA-N 2 2 327.432 1.039 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cn21 ZINC000362825444 445567003 /nfs/dbraw/zinc/56/70/03/445567003.db2.gz HNPJHAPHTJJUML-MRXNPFEDSA-N 2 2 327.432 1.039 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000362828892 445569753 /nfs/dbraw/zinc/56/97/53/445569753.db2.gz DYCRVPKEZXXYIS-HNNXBMFYSA-N 2 2 341.415 1.133 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000362828892 445569757 /nfs/dbraw/zinc/56/97/57/445569757.db2.gz DYCRVPKEZXXYIS-HNNXBMFYSA-N 2 2 341.415 1.133 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccn(C)n1 ZINC000349503328 445600886 /nfs/dbraw/zinc/60/08/86/445600886.db2.gz AQJZKZIQOXVCOM-UONOGXRCSA-N 2 2 329.452 1.962 20 0 EDADLP O=S(=O)(NCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000362926656 445612082 /nfs/dbraw/zinc/61/20/82/445612082.db2.gz RSKWOZODDFQCLH-NJAFHUGGSA-N 2 2 349.500 1.381 20 0 EDADLP O=S(=O)(NCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000362926656 445612086 /nfs/dbraw/zinc/61/20/86/445612086.db2.gz RSKWOZODDFQCLH-NJAFHUGGSA-N 2 2 349.500 1.381 20 0 EDADLP O=S(=O)(NCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000362926656 445612089 /nfs/dbraw/zinc/61/20/89/445612089.db2.gz RSKWOZODDFQCLH-NJAFHUGGSA-N 2 2 349.500 1.381 20 0 EDADLP O=S(=O)(NCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000362926656 445612092 /nfs/dbraw/zinc/61/20/92/445612092.db2.gz RSKWOZODDFQCLH-NJAFHUGGSA-N 2 2 349.500 1.381 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000349576575 445615482 /nfs/dbraw/zinc/61/54/82/445615482.db2.gz QRGXMUCHHJCGKE-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000349576575 445615486 /nfs/dbraw/zinc/61/54/86/445615486.db2.gz QRGXMUCHHJCGKE-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000362943172 445620799 /nfs/dbraw/zinc/62/07/99/445620799.db2.gz SEFJXSMBEMGSDI-MRXNPFEDSA-N 2 2 338.496 1.810 20 0 EDADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000362943172 445620802 /nfs/dbraw/zinc/62/08/02/445620802.db2.gz SEFJXSMBEMGSDI-MRXNPFEDSA-N 2 2 338.496 1.810 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C2CC(O)C2)CC1 ZINC000353492215 445626915 /nfs/dbraw/zinc/62/69/15/445626915.db2.gz UIZRYDIUBUJHME-UHFFFAOYSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C2CC(O)C2)CC1 ZINC000353492215 445626919 /nfs/dbraw/zinc/62/69/19/445626919.db2.gz UIZRYDIUBUJHME-UHFFFAOYSA-N 2 2 331.460 1.094 20 0 EDADLP CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000360205051 445627097 /nfs/dbraw/zinc/62/70/97/445627097.db2.gz QIVWYTHMENPPDX-AWEZNQCLSA-N 2 2 325.459 1.943 20 0 EDADLP CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000360205051 445627100 /nfs/dbraw/zinc/62/71/00/445627100.db2.gz QIVWYTHMENPPDX-AWEZNQCLSA-N 2 2 325.459 1.943 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000360330008 445697542 /nfs/dbraw/zinc/69/75/42/445697542.db2.gz QVUUTDFKCDTJBM-APWZRJJASA-N 2 2 338.455 1.942 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000360330008 445697545 /nfs/dbraw/zinc/69/75/45/445697545.db2.gz QVUUTDFKCDTJBM-APWZRJJASA-N 2 2 338.455 1.942 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCOc3ccc(F)cc3)C2)CC1 ZINC000363338964 445771099 /nfs/dbraw/zinc/77/10/99/445771099.db2.gz OQTOJVGCTSKQBK-INIZCTEOSA-N 2 2 349.450 1.879 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCOc3ccc(F)cc3)C2)CC1 ZINC000363338964 445771104 /nfs/dbraw/zinc/77/11/04/445771104.db2.gz OQTOJVGCTSKQBK-INIZCTEOSA-N 2 2 349.450 1.879 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000363220342 445727924 /nfs/dbraw/zinc/72/79/24/445727924.db2.gz YYRDQRQJOMQRBB-SFHVURJKSA-N 2 2 348.466 1.154 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000363220342 445727930 /nfs/dbraw/zinc/72/79/30/445727930.db2.gz YYRDQRQJOMQRBB-SFHVURJKSA-N 2 2 348.466 1.154 20 0 EDADLP CC[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000360836057 445734831 /nfs/dbraw/zinc/73/48/31/445734831.db2.gz UVJMWZMXKFTCHU-CVEARBPZSA-N 2 2 337.414 1.937 20 0 EDADLP CC[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000360836057 445734835 /nfs/dbraw/zinc/73/48/35/445734835.db2.gz UVJMWZMXKFTCHU-CVEARBPZSA-N 2 2 337.414 1.937 20 0 EDADLP COCC1(C)CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000358735534 445750164 /nfs/dbraw/zinc/75/01/64/445750164.db2.gz IYZRWCFMEAQTHV-UHFFFAOYSA-N 2 2 349.475 1.672 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000353797254 445760969 /nfs/dbraw/zinc/76/09/69/445760969.db2.gz KWXDVTWIOOAFND-SJORKVTESA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000353797254 445760972 /nfs/dbraw/zinc/76/09/72/445760972.db2.gz KWXDVTWIOOAFND-SJORKVTESA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000353797254 445760976 /nfs/dbraw/zinc/76/09/76/445760976.db2.gz KWXDVTWIOOAFND-SJORKVTESA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000353797254 445760980 /nfs/dbraw/zinc/76/09/80/445760980.db2.gz KWXDVTWIOOAFND-SJORKVTESA-N 2 2 341.496 1.057 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1cccnc1 ZINC000350087300 445764945 /nfs/dbraw/zinc/76/49/45/445764945.db2.gz INTOQYWDZRRQDS-UHFFFAOYSA-N 2 2 332.492 1.844 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1cccnc1 ZINC000350087300 445764948 /nfs/dbraw/zinc/76/49/48/445764948.db2.gz INTOQYWDZRRQDS-UHFFFAOYSA-N 2 2 332.492 1.844 20 0 EDADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C12CCC2 ZINC000353946273 445821992 /nfs/dbraw/zinc/82/19/92/445821992.db2.gz GCHWGTKUVLECSS-POLGYXKZSA-N 2 2 349.519 1.863 20 0 EDADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C12CCC2 ZINC000353946273 445821996 /nfs/dbraw/zinc/82/19/96/445821996.db2.gz GCHWGTKUVLECSS-POLGYXKZSA-N 2 2 349.519 1.863 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)[C@H](C)C1 ZINC000356508433 445831026 /nfs/dbraw/zinc/83/10/26/445831026.db2.gz SLPSYXVIPAUWBK-GDBMZVCRSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)[C@H](C)C1 ZINC000356508433 445831029 /nfs/dbraw/zinc/83/10/29/445831029.db2.gz SLPSYXVIPAUWBK-GDBMZVCRSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)[C@H](C)C1 ZINC000356508433 445831033 /nfs/dbraw/zinc/83/10/33/445831033.db2.gz SLPSYXVIPAUWBK-GDBMZVCRSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)[C@H](C)C1 ZINC000356508433 445831037 /nfs/dbraw/zinc/83/10/37/445831037.db2.gz SLPSYXVIPAUWBK-GDBMZVCRSA-N 2 2 349.479 1.036 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N(C)c2nccs2)C1 ZINC000350208065 445792982 /nfs/dbraw/zinc/79/29/82/445792982.db2.gz JGEWEUZCPKPVGT-CQSZACIVSA-N 2 2 340.493 1.539 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N(C)c2nccs2)C1 ZINC000350208065 445792987 /nfs/dbraw/zinc/79/29/87/445792987.db2.gz JGEWEUZCPKPVGT-CQSZACIVSA-N 2 2 340.493 1.539 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000361518224 445798917 /nfs/dbraw/zinc/79/89/17/445798917.db2.gz IHCNLMQKJDDVKL-HNNXBMFYSA-N 2 2 332.448 1.613 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363429902 445800381 /nfs/dbraw/zinc/80/03/81/445800381.db2.gz SFTQYODKRJSJEM-SJORKVTESA-N 2 2 348.491 1.771 20 0 EDADLP COCC1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[NH2+]CC1 ZINC000358854893 445812799 /nfs/dbraw/zinc/81/27/99/445812799.db2.gz KIJHUQDYBQGZFF-UHFFFAOYSA-N 2 2 336.823 1.620 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000354059019 445880695 /nfs/dbraw/zinc/88/06/95/445880695.db2.gz NTCNALRCXANZHI-QGZVFWFLSA-N 2 2 331.460 1.742 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000354059019 445880698 /nfs/dbraw/zinc/88/06/98/445880698.db2.gz NTCNALRCXANZHI-QGZVFWFLSA-N 2 2 331.460 1.742 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)nc[nH+]1 ZINC000361702572 445885735 /nfs/dbraw/zinc/88/57/35/445885735.db2.gz WARDIMRHAUHYDC-HNNXBMFYSA-N 2 2 329.448 1.260 20 0 EDADLP CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000363537143 445849115 /nfs/dbraw/zinc/84/91/15/445849115.db2.gz VOYQNVKJBAQVNW-INIZCTEOSA-N 2 2 334.445 1.386 20 0 EDADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000363537143 445849119 /nfs/dbraw/zinc/84/91/19/445849119.db2.gz VOYQNVKJBAQVNW-INIZCTEOSA-N 2 2 334.445 1.386 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000582041470 325758076 /nfs/dbraw/zinc/75/80/76/325758076.db2.gz RVOWJHUWLUQHBG-GJZGRUSLSA-N 2 2 327.432 1.896 20 0 EDADLP O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1C1CC[NH+](C2CCCC2)CC1 ZINC000359019387 445890859 /nfs/dbraw/zinc/89/08/59/445890859.db2.gz SAAMQDUELGWOHM-OAHLLOKOSA-N 2 2 331.420 1.280 20 0 EDADLP O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1C1CC[NH+](C2CCCC2)CC1 ZINC000359019387 445890862 /nfs/dbraw/zinc/89/08/62/445890862.db2.gz SAAMQDUELGWOHM-OAHLLOKOSA-N 2 2 331.420 1.280 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000359042401 445905835 /nfs/dbraw/zinc/90/58/35/445905835.db2.gz OVOZWTSBCWTXJP-HOTGVXAUSA-N 2 2 342.447 1.755 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000364375585 445916648 /nfs/dbraw/zinc/91/66/48/445916648.db2.gz AWPWQPQYFIEDST-SJORKVTESA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000364375585 445916652 /nfs/dbraw/zinc/91/66/52/445916652.db2.gz AWPWQPQYFIEDST-SJORKVTESA-N 2 2 337.508 1.820 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000361763312 445923628 /nfs/dbraw/zinc/92/36/28/445923628.db2.gz HEEIPRJAYLTLBX-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000361763312 445923637 /nfs/dbraw/zinc/92/36/37/445923637.db2.gz HEEIPRJAYLTLBX-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000361763312 445923645 /nfs/dbraw/zinc/92/36/45/445923645.db2.gz HEEIPRJAYLTLBX-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC000361763312 445923654 /nfs/dbraw/zinc/92/36/54/445923654.db2.gz HEEIPRJAYLTLBX-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCOc1cccnc1 ZINC000361798443 445955502 /nfs/dbraw/zinc/95/55/02/445955502.db2.gz VAVTXGHIAVXWEP-UHFFFAOYSA-N 2 2 348.491 1.725 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCOc1cccnc1 ZINC000361798443 445955504 /nfs/dbraw/zinc/95/55/04/445955504.db2.gz VAVTXGHIAVXWEP-UHFFFAOYSA-N 2 2 348.491 1.725 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CCC[NH+](C4CCOCC4)CC3)c2C1 ZINC000364828594 445959804 /nfs/dbraw/zinc/95/98/04/445959804.db2.gz GWURMQPKQROZNC-UHFFFAOYSA-N 2 2 331.464 1.156 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CCC[NH+](C4CCOCC4)CC3)c2C1 ZINC000364828594 445959810 /nfs/dbraw/zinc/95/98/10/445959810.db2.gz GWURMQPKQROZNC-UHFFFAOYSA-N 2 2 331.464 1.156 20 0 EDADLP C[NH+]1CCc2ncnc(N3CCC[N@@H+](C4CCOCC4)CC3)c2C1 ZINC000364828594 445959814 /nfs/dbraw/zinc/95/98/14/445959814.db2.gz GWURMQPKQROZNC-UHFFFAOYSA-N 2 2 331.464 1.156 20 0 EDADLP C[NH+]1CCc2ncnc(N3CCC[N@H+](C4CCOCC4)CC3)c2C1 ZINC000364828594 445959817 /nfs/dbraw/zinc/95/98/17/445959817.db2.gz GWURMQPKQROZNC-UHFFFAOYSA-N 2 2 331.464 1.156 20 0 EDADLP C[C@@H](CNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)C[NH+]1CCOCC1 ZINC000369246677 446020359 /nfs/dbraw/zinc/02/03/59/446020359.db2.gz YPTUKSSZYQDLCY-HOTGVXAUSA-N 2 2 349.479 1.055 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000354224701 446021799 /nfs/dbraw/zinc/02/17/99/446021799.db2.gz OSZODRDVIDNDGK-CRAIPNDOSA-N 3 2 336.524 1.534 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000354224701 446021807 /nfs/dbraw/zinc/02/18/07/446021807.db2.gz OSZODRDVIDNDGK-CRAIPNDOSA-N 3 2 336.524 1.534 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000354224701 446021811 /nfs/dbraw/zinc/02/18/11/446021811.db2.gz OSZODRDVIDNDGK-CRAIPNDOSA-N 3 2 336.524 1.534 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000354224701 446021816 /nfs/dbraw/zinc/02/18/16/446021816.db2.gz OSZODRDVIDNDGK-CRAIPNDOSA-N 3 2 336.524 1.534 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000369257372 446025948 /nfs/dbraw/zinc/02/59/48/446025948.db2.gz IIVQUJPQYGMFIV-CYBMUJFWSA-N 2 2 344.467 1.677 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)C1 ZINC000369257372 446025953 /nfs/dbraw/zinc/02/59/53/446025953.db2.gz IIVQUJPQYGMFIV-CYBMUJFWSA-N 2 2 344.467 1.677 20 0 EDADLP CN(C(=O)NCCn1cc[nH+]c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000365114536 446034580 /nfs/dbraw/zinc/03/45/80/446034580.db2.gz PAESOGPDAVTHRB-UHFFFAOYSA-N 2 2 328.420 1.589 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn(C(C)(C)C)c3)C2)CC1 ZINC000369272937 446038900 /nfs/dbraw/zinc/03/89/00/446038900.db2.gz DPGBJZTVVOMNAT-OAHLLOKOSA-N 2 2 333.480 1.536 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn(C(C)(C)C)c3)C2)CC1 ZINC000369272937 446038901 /nfs/dbraw/zinc/03/89/01/446038901.db2.gz DPGBJZTVVOMNAT-OAHLLOKOSA-N 2 2 333.480 1.536 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000359177908 446002628 /nfs/dbraw/zinc/00/26/28/446002628.db2.gz VNNNVZQDMKMCOV-HBUWYVDXSA-N 2 2 347.463 1.121 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000359177908 446002634 /nfs/dbraw/zinc/00/26/34/446002634.db2.gz VNNNVZQDMKMCOV-HBUWYVDXSA-N 2 2 347.463 1.121 20 0 EDADLP C[NH+](C)CCC1CC[NH+](Cc2nnnn2CC2CCOCC2)CC1 ZINC000373075709 446010868 /nfs/dbraw/zinc/01/08/68/446010868.db2.gz YGUQJNGDCYRPRZ-UHFFFAOYSA-N 2 2 336.484 1.263 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@]3(CC[NH2+]C3)C1)CCC2 ZINC000583133835 326008889 /nfs/dbraw/zinc/00/88/89/326008889.db2.gz QYFJFEKOZPVTCM-YJBOKZPZSA-N 2 2 331.464 1.854 20 0 EDADLP C[C@@H](SCC1CC[NH2+]CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583261474 326037360 /nfs/dbraw/zinc/03/73/60/326037360.db2.gz OULNNGDPSMOTDH-OAHLLOKOSA-N 2 2 348.516 1.852 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000583369581 326058902 /nfs/dbraw/zinc/05/89/02/326058902.db2.gz SHQFXJWSIXUHRH-JTQLQIEISA-N 2 2 332.326 1.534 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000583369581 326058903 /nfs/dbraw/zinc/05/89/03/326058903.db2.gz SHQFXJWSIXUHRH-JTQLQIEISA-N 2 2 332.326 1.534 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)cc2n1C ZINC000583640536 326110950 /nfs/dbraw/zinc/11/09/50/326110950.db2.gz NNRQQZYZMFUDRL-SFHVURJKSA-N 2 2 328.416 1.068 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cn2c1 ZINC000583682402 326117261 /nfs/dbraw/zinc/11/72/61/326117261.db2.gz MLVOKACBOUWHRS-BPUTZDHNSA-N 2 2 327.432 1.912 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351441012 446065897 /nfs/dbraw/zinc/06/58/97/446065897.db2.gz JMDQFFLBBZKARY-RHSMWYFYSA-N 2 2 325.497 1.314 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351441012 446065903 /nfs/dbraw/zinc/06/59/03/446065903.db2.gz JMDQFFLBBZKARY-RHSMWYFYSA-N 2 2 325.497 1.314 20 0 EDADLP Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C(C)C)n1 ZINC000365180495 446068825 /nfs/dbraw/zinc/06/88/25/446068825.db2.gz CCGGGWYAGOQKEM-OAHLLOKOSA-N 2 2 345.491 1.807 20 0 EDADLP Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C(C)C)n1 ZINC000365180495 446068833 /nfs/dbraw/zinc/06/88/33/446068833.db2.gz CCGGGWYAGOQKEM-OAHLLOKOSA-N 2 2 345.491 1.807 20 0 EDADLP CN(C(=O)NCc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369344693 446087940 /nfs/dbraw/zinc/08/79/40/446087940.db2.gz RJNQYRSVUGWKLF-SFHVURJKSA-N 2 2 330.476 1.997 20 0 EDADLP CN(C(=O)NCc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369344693 446087945 /nfs/dbraw/zinc/08/79/45/446087945.db2.gz RJNQYRSVUGWKLF-SFHVURJKSA-N 2 2 330.476 1.997 20 0 EDADLP CCN1CCN(C(=O)NCCC2CC[NH+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354275660 446073651 /nfs/dbraw/zinc/07/36/51/446073651.db2.gz FZUWEDCUFUPDJD-MRXNPFEDSA-N 2 2 348.495 1.530 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000366195131 446075132 /nfs/dbraw/zinc/07/51/32/446075132.db2.gz KSNLCJKBHILAGJ-GOSISDBHSA-N 2 2 340.427 1.855 20 0 EDADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(C)C ZINC000356927568 446131752 /nfs/dbraw/zinc/13/17/52/446131752.db2.gz UKKFOTYIQOAKCM-CRAIPNDOSA-N 2 2 332.448 1.545 20 0 EDADLP CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C(C)C ZINC000356927568 446131760 /nfs/dbraw/zinc/13/17/60/446131760.db2.gz UKKFOTYIQOAKCM-CRAIPNDOSA-N 2 2 332.448 1.545 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000369578486 446133340 /nfs/dbraw/zinc/13/33/40/446133340.db2.gz QYLRHBWEOZOJPA-XYTVBORESA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000369578486 446133350 /nfs/dbraw/zinc/13/33/50/446133350.db2.gz QYLRHBWEOZOJPA-XYTVBORESA-N 2 2 338.496 1.364 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(C(=O)NC4CC4)c3)C[C@H]12 ZINC000351488130 446089875 /nfs/dbraw/zinc/08/98/75/446089875.db2.gz DSTHMUBPWPHXRI-RRQGHBQHSA-N 2 2 342.443 1.186 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(C(=O)NC4CC4)c3)C[C@H]12 ZINC000351488130 446089878 /nfs/dbraw/zinc/08/98/78/446089878.db2.gz DSTHMUBPWPHXRI-RRQGHBQHSA-N 2 2 342.443 1.186 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[S@](=O)CC[C@@H]3C)c2cc1C ZINC000369360251 446102270 /nfs/dbraw/zinc/10/22/70/446102270.db2.gz WBBAZUIHFRNDLG-VMPBMTGNSA-N 2 2 349.500 1.857 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[S@](=O)CC[C@@H]3C)c2cc1C ZINC000369360251 446102275 /nfs/dbraw/zinc/10/22/75/446102275.db2.gz WBBAZUIHFRNDLG-VMPBMTGNSA-N 2 2 349.500 1.857 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3=CC[N@H+](C)CC3)CC2)CC1 ZINC000373227441 446105287 /nfs/dbraw/zinc/10/52/87/446105287.db2.gz JQEAIYUSTIMFAP-UHFFFAOYSA-N 3 2 349.523 1.106 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3=CC[N@@H+](C)CC3)CC2)CC1 ZINC000373227441 446105291 /nfs/dbraw/zinc/10/52/91/446105291.db2.gz JQEAIYUSTIMFAP-UHFFFAOYSA-N 3 2 349.523 1.106 20 0 EDADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359285229 446119686 /nfs/dbraw/zinc/11/96/86/446119686.db2.gz LZUKGMQHHQLRBZ-IJLUTSLNSA-N 2 2 338.249 1.927 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521352 446124698 /nfs/dbraw/zinc/12/46/98/446124698.db2.gz UHILYLGJUWYYHP-VQIMIIECSA-N 2 2 345.487 1.584 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521352 446124703 /nfs/dbraw/zinc/12/47/03/446124703.db2.gz UHILYLGJUWYYHP-VQIMIIECSA-N 2 2 345.487 1.584 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521352 446124708 /nfs/dbraw/zinc/12/47/08/446124708.db2.gz UHILYLGJUWYYHP-VQIMIIECSA-N 2 2 345.487 1.584 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521352 446124712 /nfs/dbraw/zinc/12/47/12/446124712.db2.gz UHILYLGJUWYYHP-VQIMIIECSA-N 2 2 345.487 1.584 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCc3ccn4cc[nH+]c4c3)ccc2[nH+]1 ZINC000359354446 446168659 /nfs/dbraw/zinc/16/86/59/446168659.db2.gz XEGBEYNZKFGLHA-UHFFFAOYSA-N 2 2 348.366 1.545 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000373511121 446243618 /nfs/dbraw/zinc/24/36/18/446243618.db2.gz WOUUXMCIFWUBES-SJORKVTESA-N 2 2 332.448 1.690 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000373511121 446243623 /nfs/dbraw/zinc/24/36/23/446243623.db2.gz WOUUXMCIFWUBES-SJORKVTESA-N 2 2 332.448 1.690 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000365430608 446204208 /nfs/dbraw/zinc/20/42/08/446204208.db2.gz OTZPIQYYDVVPAK-VJFUWPCTSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000365430608 446204214 /nfs/dbraw/zinc/20/42/14/446204214.db2.gz OTZPIQYYDVVPAK-VJFUWPCTSA-N 2 2 335.492 1.763 20 0 EDADLP C[C@@H]1CC[C@@H]([N@H+](CCO)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000351617241 446211190 /nfs/dbraw/zinc/21/11/90/446211190.db2.gz BKUOGQNDTCVFKR-IAGOWNOFSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@@H]1CC[C@@H]([N@@H+](CCO)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000351617241 446211195 /nfs/dbraw/zinc/21/11/95/446211195.db2.gz BKUOGQNDTCVFKR-IAGOWNOFSA-N 2 2 349.475 1.407 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000365460252 446217739 /nfs/dbraw/zinc/21/77/39/446217739.db2.gz ROUDBYFIMVEQNR-IUODEOHRSA-N 2 2 333.461 1.974 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000365460252 446217745 /nfs/dbraw/zinc/21/77/45/446217745.db2.gz ROUDBYFIMVEQNR-IUODEOHRSA-N 2 2 333.461 1.974 20 0 EDADLP CC1(C)[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)[C@@H]2CCO[C@@H]21 ZINC000365490470 446230279 /nfs/dbraw/zinc/23/02/79/446230279.db2.gz IAYGBSFSOVAPHV-ULQDDVLXSA-N 2 2 345.491 1.392 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[N@@H+]1C1CC1 ZINC000370328391 446232664 /nfs/dbraw/zinc/23/26/64/446232664.db2.gz ZWJFPMYJSBPSKH-DZGCQCFKSA-N 2 2 340.431 1.692 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[N@H+]1C1CC1 ZINC000370328391 446232667 /nfs/dbraw/zinc/23/26/67/446232667.db2.gz ZWJFPMYJSBPSKH-DZGCQCFKSA-N 2 2 340.431 1.692 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366496097 446237605 /nfs/dbraw/zinc/23/76/05/446237605.db2.gz IFYPXQNDFREYII-IIDMSEBBSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366496097 446237607 /nfs/dbraw/zinc/23/76/07/446237607.db2.gz IFYPXQNDFREYII-IIDMSEBBSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366496097 446237612 /nfs/dbraw/zinc/23/76/12/446237612.db2.gz IFYPXQNDFREYII-IIDMSEBBSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366496097 446237614 /nfs/dbraw/zinc/23/76/14/446237614.db2.gz IFYPXQNDFREYII-IIDMSEBBSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@H](CO)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373508064 446242626 /nfs/dbraw/zinc/24/26/26/446242626.db2.gz XBXKJPDCVJVWRJ-RDJZCZTQSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@H](CO)CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373508064 446242631 /nfs/dbraw/zinc/24/26/31/446242631.db2.gz XBXKJPDCVJVWRJ-RDJZCZTQSA-N 2 2 340.512 1.205 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000373538455 446253249 /nfs/dbraw/zinc/25/32/49/446253249.db2.gz NVMNFGNIPVIJKU-UHFFFAOYSA-N 2 2 334.464 1.618 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000373538455 446253251 /nfs/dbraw/zinc/25/32/51/446253251.db2.gz NVMNFGNIPVIJKU-UHFFFAOYSA-N 2 2 334.464 1.618 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N(CCCCO)C3CC3)C2)CC1 ZINC000370395067 446261198 /nfs/dbraw/zinc/26/11/98/446261198.db2.gz NVGRJVILDGRWSF-OAHLLOKOSA-N 2 2 338.496 1.101 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N(CCCCO)C3CC3)C2)CC1 ZINC000370395067 446261200 /nfs/dbraw/zinc/26/12/00/446261200.db2.gz NVGRJVILDGRWSF-OAHLLOKOSA-N 2 2 338.496 1.101 20 0 EDADLP c1cn(-c2ccc(CN3CC[NH+]([C@H]4CCSC4)CC3)cn2)c[nH+]1 ZINC000370403532 446263334 /nfs/dbraw/zinc/26/33/34/446263334.db2.gz BGJKBKZBGMEUAE-INIZCTEOSA-N 2 2 329.473 1.890 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000365611042 446272975 /nfs/dbraw/zinc/27/29/75/446272975.db2.gz GPPWWOBDZAQEGI-ZDUSSCGKSA-N 2 2 331.420 1.433 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000365611042 446272979 /nfs/dbraw/zinc/27/29/79/446272979.db2.gz GPPWWOBDZAQEGI-ZDUSSCGKSA-N 2 2 331.420 1.433 20 0 EDADLP C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000365609617 446273276 /nfs/dbraw/zinc/27/32/76/446273276.db2.gz BDNMMRZKOMGBSI-HNNXBMFYSA-N 2 2 343.431 1.097 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000365629946 446280837 /nfs/dbraw/zinc/28/08/37/446280837.db2.gz NXYXUQAZOHDSLY-CYBMUJFWSA-N 2 2 336.436 1.057 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000365629946 446280840 /nfs/dbraw/zinc/28/08/40/446280840.db2.gz NXYXUQAZOHDSLY-CYBMUJFWSA-N 2 2 336.436 1.057 20 0 EDADLP CC(C)n1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000366728631 446325702 /nfs/dbraw/zinc/32/57/02/446325702.db2.gz SLNZNZHNCCNYCK-UHFFFAOYSA-N 2 2 348.495 2.144 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365786736 446343041 /nfs/dbraw/zinc/34/30/41/446343041.db2.gz TXWFCSWYJXNNPK-KFWWJZLASA-N 2 2 347.463 1.994 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365786736 446343046 /nfs/dbraw/zinc/34/30/46/446343046.db2.gz TXWFCSWYJXNNPK-KFWWJZLASA-N 2 2 347.463 1.994 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000374410014 446367732 /nfs/dbraw/zinc/36/77/32/446367732.db2.gz FTXMJQQPUJDLSB-QXSJWSMHSA-N 2 2 332.448 1.471 20 0 EDADLP CCc1nc(N2CCN(C[C@H]3C[N@H+](CC)CCO3)CC2)cc(C)[nH+]1 ZINC000376189818 446373944 /nfs/dbraw/zinc/37/39/44/446373944.db2.gz UDSXCXOWKNEZQH-MRXNPFEDSA-N 2 2 333.480 1.190 20 0 EDADLP CCc1nc(N2CCN(C[C@H]3C[N@@H+](CC)CCO3)CC2)cc(C)[nH+]1 ZINC000376189818 446373953 /nfs/dbraw/zinc/37/39/53/446373953.db2.gz UDSXCXOWKNEZQH-MRXNPFEDSA-N 2 2 333.480 1.190 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc3cnccn23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370706002 446395524 /nfs/dbraw/zinc/39/55/24/446395524.db2.gz KVSNRCHUFNFURV-NVXWUHKLSA-N 2 2 328.464 1.187 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc3cnccn23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370706002 446395534 /nfs/dbraw/zinc/39/55/34/446395534.db2.gz KVSNRCHUFNFURV-NVXWUHKLSA-N 2 2 328.464 1.187 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423147377 446440499 /nfs/dbraw/zinc/44/04/99/446440499.db2.gz RWGPCRZELQJDFA-HOCLYGCPSA-N 2 2 348.834 1.909 20 0 EDADLP C[C@@H]1CSC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376345004 446444120 /nfs/dbraw/zinc/44/41/20/446444120.db2.gz XAALCWJUJQJJRI-VNHYZAJKSA-N 2 2 326.510 1.206 20 0 EDADLP C[C@@H]1CSC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376345004 446444127 /nfs/dbraw/zinc/44/41/27/446444127.db2.gz XAALCWJUJQJJRI-VNHYZAJKSA-N 2 2 326.510 1.206 20 0 EDADLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000370728958 446406174 /nfs/dbraw/zinc/40/61/74/446406174.db2.gz FXKMSEOKANFPME-OIISXLGYSA-N 2 2 347.463 1.339 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000411175571 446419015 /nfs/dbraw/zinc/41/90/15/446419015.db2.gz DGOLTHYLMMTFNH-HNNXBMFYSA-N 2 2 341.415 1.360 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420295537 446457915 /nfs/dbraw/zinc/45/79/15/446457915.db2.gz PMNLMNPOXUHCPO-DZGCQCFKSA-N 2 2 333.432 1.019 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420295537 446457919 /nfs/dbraw/zinc/45/79/19/446457919.db2.gz PMNLMNPOXUHCPO-DZGCQCFKSA-N 2 2 333.432 1.019 20 0 EDADLP CN(C(=O)CSc1ccncc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370817471 446459145 /nfs/dbraw/zinc/45/91/45/446459145.db2.gz CHELGLNIBBCZOC-INIZCTEOSA-N 2 2 348.516 1.801 20 0 EDADLP CN(C(=O)CSc1ccncc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370817471 446459154 /nfs/dbraw/zinc/45/91/54/446459154.db2.gz CHELGLNIBBCZOC-INIZCTEOSA-N 2 2 348.516 1.801 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420298399 446462287 /nfs/dbraw/zinc/46/22/87/446462287.db2.gz ZZWZEFIKIHYMMB-KBPBESRZSA-N 2 2 333.432 1.495 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420298399 446462294 /nfs/dbraw/zinc/46/22/94/446462294.db2.gz ZZWZEFIKIHYMMB-KBPBESRZSA-N 2 2 333.432 1.495 20 0 EDADLP CC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)CS(C)(=O)=O ZINC000420302980 446466351 /nfs/dbraw/zinc/46/63/51/446466351.db2.gz MVYHKIAXPYMWOL-HIFRSBDPSA-N 2 2 328.478 1.493 20 0 EDADLP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)CS(C)(=O)=O ZINC000420302980 446466354 /nfs/dbraw/zinc/46/63/54/446466354.db2.gz MVYHKIAXPYMWOL-HIFRSBDPSA-N 2 2 328.478 1.493 20 0 EDADLP COc1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370830818 446466391 /nfs/dbraw/zinc/46/63/91/446466391.db2.gz PKCMUCPRFLEJCU-SFHVURJKSA-N 2 2 345.487 1.865 20 0 EDADLP COc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370830818 446466397 /nfs/dbraw/zinc/46/63/97/446466397.db2.gz PKCMUCPRFLEJCU-SFHVURJKSA-N 2 2 345.487 1.865 20 0 EDADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423271610 446470407 /nfs/dbraw/zinc/47/04/07/446470407.db2.gz YAMYXSWZQRTAHI-ZFWWWQNUSA-N 2 2 327.494 1.961 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)[nH+]1 ZINC000411299791 446477919 /nfs/dbraw/zinc/47/79/19/446477919.db2.gz VDRXNZPRILELTN-LSDHHAIUSA-N 2 2 332.448 1.934 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1 ZINC000420314520 446479971 /nfs/dbraw/zinc/47/99/71/446479971.db2.gz KDPSWYLXBMZMEX-QFBILLFUSA-N 2 2 344.459 1.719 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1 ZINC000420314520 446479976 /nfs/dbraw/zinc/47/99/76/446479976.db2.gz KDPSWYLXBMZMEX-QFBILLFUSA-N 2 2 344.459 1.719 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H](CC(N)=O)C3)sc2C1 ZINC000374961192 446484204 /nfs/dbraw/zinc/48/42/04/446484204.db2.gz HSAAEOHSFKUIHU-ZDUSSCGKSA-N 2 2 336.505 1.997 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H](CC(N)=O)C3)sc2C1 ZINC000374961192 446484210 /nfs/dbraw/zinc/48/42/10/446484210.db2.gz HSAAEOHSFKUIHU-ZDUSSCGKSA-N 2 2 336.505 1.997 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H](CC(N)=O)C3)sc2C1 ZINC000374961192 446484215 /nfs/dbraw/zinc/48/42/15/446484215.db2.gz HSAAEOHSFKUIHU-ZDUSSCGKSA-N 2 2 336.505 1.997 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(c3nc(C)ns3)CC2)cc1 ZINC000420323171 446489900 /nfs/dbraw/zinc/48/99/00/446489900.db2.gz UARHIPSHTSNRHE-HNNXBMFYSA-N 2 2 347.488 1.720 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]12CCOC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000367060335 446495363 /nfs/dbraw/zinc/49/53/63/446495363.db2.gz BHOFVEZCTMIOPH-GOSISDBHSA-N 2 2 349.500 1.647 20 0 EDADLP O=C(C[N@H+]1CCC[C@]12CCOC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000367060335 446495370 /nfs/dbraw/zinc/49/53/70/446495370.db2.gz BHOFVEZCTMIOPH-GOSISDBHSA-N 2 2 349.500 1.647 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000423378107 446510260 /nfs/dbraw/zinc/51/02/60/446510260.db2.gz MFKBAEXFPUDGFV-WBVHZDCISA-N 2 2 331.460 1.728 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423388363 446513981 /nfs/dbraw/zinc/51/39/81/446513981.db2.gz KNRRHKNMTNWFFG-BPUTZDHNSA-N 3 2 344.425 1.371 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000420385042 446560355 /nfs/dbraw/zinc/56/03/55/446560355.db2.gz GHNTVSLDQXZRRX-CQSZACIVSA-N 2 2 337.464 1.592 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000420385042 446560358 /nfs/dbraw/zinc/56/03/58/446560358.db2.gz GHNTVSLDQXZRRX-CQSZACIVSA-N 2 2 337.464 1.592 20 0 EDADLP CCC[NH2+]CCNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418489882 446563510 /nfs/dbraw/zinc/56/35/10/446563510.db2.gz OTHNAANYKLLZQF-UHFFFAOYSA-N 2 2 338.452 1.123 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390614 446566279 /nfs/dbraw/zinc/56/62/79/446566279.db2.gz YMPZOFCSUYXWGS-HNAYVOBHSA-N 2 2 331.460 1.948 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390614 446566288 /nfs/dbraw/zinc/56/62/88/446566288.db2.gz YMPZOFCSUYXWGS-HNAYVOBHSA-N 2 2 331.460 1.948 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@@H](C)C[NH3+])CC2)cs1 ZINC000418496581 446566567 /nfs/dbraw/zinc/56/65/67/446566567.db2.gz VQZXKKQGSTYYCJ-LBPRGKRZSA-N 2 2 325.482 1.264 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@@H](C)C[NH3+])CC2)cs1 ZINC000418496581 446566575 /nfs/dbraw/zinc/56/65/75/446566575.db2.gz VQZXKKQGSTYYCJ-LBPRGKRZSA-N 2 2 325.482 1.264 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423417020 446525137 /nfs/dbraw/zinc/52/51/37/446525137.db2.gz GGFNPXBWCSRLPQ-LASHMREHSA-N 3 2 329.488 1.600 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423417020 446525141 /nfs/dbraw/zinc/52/51/41/446525141.db2.gz GGFNPXBWCSRLPQ-LASHMREHSA-N 3 2 329.488 1.600 20 0 EDADLP CN(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])C(c1ccccc1)c1ccccc1 ZINC000420350697 446527102 /nfs/dbraw/zinc/52/71/02/446527102.db2.gz HSKQGROHQWGYDW-GOSISDBHSA-N 2 2 341.455 1.486 20 0 EDADLP CN(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C(c1ccccc1)c1ccccc1 ZINC000420350697 446527109 /nfs/dbraw/zinc/52/71/09/446527109.db2.gz HSKQGROHQWGYDW-GOSISDBHSA-N 2 2 341.455 1.486 20 0 EDADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350012 446528698 /nfs/dbraw/zinc/52/86/98/446528698.db2.gz FOPRQQGOVLSUQU-KOLCDFICSA-N 2 2 335.326 1.164 20 0 EDADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350012 446528702 /nfs/dbraw/zinc/52/87/02/446528702.db2.gz FOPRQQGOVLSUQU-KOLCDFICSA-N 2 2 335.326 1.164 20 0 EDADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420351357 446530016 /nfs/dbraw/zinc/53/00/16/446530016.db2.gz WQEDEXOCTXTFHY-RDTXWAMCSA-N 2 2 344.459 1.196 20 0 EDADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420351357 446530023 /nfs/dbraw/zinc/53/00/23/446530023.db2.gz WQEDEXOCTXTFHY-RDTXWAMCSA-N 2 2 344.459 1.196 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420392339 446567263 /nfs/dbraw/zinc/56/72/63/446567263.db2.gz PJJLFBPRJIUEPS-KRWDZBQOSA-N 2 2 335.448 1.141 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420392339 446567270 /nfs/dbraw/zinc/56/72/70/446567270.db2.gz PJJLFBPRJIUEPS-KRWDZBQOSA-N 2 2 335.448 1.141 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418411282 446534686 /nfs/dbraw/zinc/53/46/86/446534686.db2.gz PCTSTDNGZIKQBN-DZGCQCFKSA-N 2 2 337.493 1.488 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418411282 446534689 /nfs/dbraw/zinc/53/46/89/446534689.db2.gz PCTSTDNGZIKQBN-DZGCQCFKSA-N 2 2 337.493 1.488 20 0 EDADLP COc1ccc2cc(CN(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])ccc2c1 ZINC000420356725 446538049 /nfs/dbraw/zinc/53/80/49/446538049.db2.gz RJLNJYKBWRIUTA-KRWDZBQOSA-N 2 2 345.443 1.058 20 0 EDADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])ccc2c1 ZINC000420356725 446538053 /nfs/dbraw/zinc/53/80/53/446538053.db2.gz RJLNJYKBWRIUTA-KRWDZBQOSA-N 2 2 345.443 1.058 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000420363255 446543160 /nfs/dbraw/zinc/54/31/60/446543160.db2.gz JEHGHGNHLRXDKR-IGCXYCKISA-N 2 2 332.448 1.303 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000420392055 446567597 /nfs/dbraw/zinc/56/75/97/446567597.db2.gz PEZRIPJSKISLKJ-GFCCVEGCSA-N 2 2 325.434 1.181 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000420392055 446567598 /nfs/dbraw/zinc/56/75/98/446567598.db2.gz PEZRIPJSKISLKJ-GFCCVEGCSA-N 2 2 325.434 1.181 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423462820 446547533 /nfs/dbraw/zinc/54/75/33/446547533.db2.gz PNTYSNHCDSTRLB-SYCZQAEJSA-N 2 2 335.492 1.652 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423462820 446547537 /nfs/dbraw/zinc/54/75/37/446547537.db2.gz PNTYSNHCDSTRLB-SYCZQAEJSA-N 2 2 335.492 1.652 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418612021 446616144 /nfs/dbraw/zinc/61/61/44/446616144.db2.gz DXABZZCKCYDSJX-DLBZAZTESA-N 2 2 338.496 1.256 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418612021 446616153 /nfs/dbraw/zinc/61/61/53/446616153.db2.gz DXABZZCKCYDSJX-DLBZAZTESA-N 2 2 338.496 1.256 20 0 EDADLP Cc1c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cnn1C ZINC000434012781 446616723 /nfs/dbraw/zinc/61/67/23/446616723.db2.gz RFBRLUPIDGSXKO-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cnn1C ZINC000434012781 446616728 /nfs/dbraw/zinc/61/67/28/446616728.db2.gz RFBRLUPIDGSXKO-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cnn1C ZINC000434012781 446616731 /nfs/dbraw/zinc/61/67/31/446616731.db2.gz RFBRLUPIDGSXKO-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cnn1C ZINC000434012781 446616734 /nfs/dbraw/zinc/61/67/34/446616734.db2.gz RFBRLUPIDGSXKO-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420397023 446569582 /nfs/dbraw/zinc/56/95/82/446569582.db2.gz FTYCWKOWFPUNIU-FZMZJTMJSA-N 2 2 335.448 1.908 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420397023 446569593 /nfs/dbraw/zinc/56/95/93/446569593.db2.gz FTYCWKOWFPUNIU-FZMZJTMJSA-N 2 2 335.448 1.908 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423557656 446572622 /nfs/dbraw/zinc/57/26/22/446572622.db2.gz NLJUALFGAOFLTR-UONOGXRCSA-N 2 2 325.478 1.744 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NCC(F)(F)C[NH3+])CC2)cs1 ZINC000418509205 446573862 /nfs/dbraw/zinc/57/38/62/446573862.db2.gz GARAQTAAXVNICM-UHFFFAOYSA-N 2 2 347.435 1.263 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)NCC(F)(F)C[NH3+])CC2)cs1 ZINC000418509205 446573869 /nfs/dbraw/zinc/57/38/69/446573869.db2.gz GARAQTAAXVNICM-UHFFFAOYSA-N 2 2 347.435 1.263 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420403902 446577020 /nfs/dbraw/zinc/57/70/20/446577020.db2.gz LOBDQIKNVLGYCZ-DOMZBBRYSA-N 2 2 333.432 1.637 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420403902 446577024 /nfs/dbraw/zinc/57/70/24/446577024.db2.gz LOBDQIKNVLGYCZ-DOMZBBRYSA-N 2 2 333.432 1.637 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000371024758 446582760 /nfs/dbraw/zinc/58/27/60/446582760.db2.gz JCMNARRPFIJIDU-OAHLLOKOSA-N 2 2 340.493 1.596 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000371024758 446582763 /nfs/dbraw/zinc/58/27/63/446582763.db2.gz JCMNARRPFIJIDU-OAHLLOKOSA-N 2 2 340.493 1.596 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)CC2 ZINC000423592663 446594377 /nfs/dbraw/zinc/59/43/77/446594377.db2.gz FCKUWXFUGWOYCO-KGLIPLIRSA-N 2 2 347.459 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)CC2 ZINC000423592663 446594381 /nfs/dbraw/zinc/59/43/81/446594381.db2.gz FCKUWXFUGWOYCO-KGLIPLIRSA-N 2 2 347.459 1.271 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)N3CC[NH+]4CCC3CC4)CC2)[nH+]c1 ZINC000375136444 446601963 /nfs/dbraw/zinc/60/19/63/446601963.db2.gz UQWDOJYCDWAWPW-UHFFFAOYSA-N 2 2 343.475 1.848 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC000418592707 446606968 /nfs/dbraw/zinc/60/69/68/446606968.db2.gz DKROWAKWGSDOHE-WMLDXEAASA-N 2 2 334.439 1.793 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434273893 446635502 /nfs/dbraw/zinc/63/55/02/446635502.db2.gz IJMYLCYIWMBUGE-IKGGRYGDSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434273893 446635509 /nfs/dbraw/zinc/63/55/09/446635509.db2.gz IJMYLCYIWMBUGE-IKGGRYGDSA-N 2 2 340.512 1.469 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000434464905 446646745 /nfs/dbraw/zinc/64/67/45/446646745.db2.gz IKGHUIGBMBUIII-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000434464905 446646750 /nfs/dbraw/zinc/64/67/50/446646750.db2.gz IKGHUIGBMBUIII-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000376687879 446651662 /nfs/dbraw/zinc/65/16/62/446651662.db2.gz IKLBKOPKAVZGNT-HOTGVXAUSA-N 3 2 345.491 1.516 20 0 EDADLP CC[N@@H+]1CCO[C@@H](c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)C1 ZINC000420487203 446653046 /nfs/dbraw/zinc/65/30/46/446653046.db2.gz JVTZHKMILRIQJG-CQSZACIVSA-N 2 2 347.419 1.465 20 0 EDADLP CC[N@H+]1CCO[C@@H](c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)C1 ZINC000420487203 446653050 /nfs/dbraw/zinc/65/30/50/446653050.db2.gz JVTZHKMILRIQJG-CQSZACIVSA-N 2 2 347.419 1.465 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418729565 446655988 /nfs/dbraw/zinc/65/59/88/446655988.db2.gz HBOROQRGYQBOSY-LBPRGKRZSA-N 2 2 331.411 1.850 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418731961 446657617 /nfs/dbraw/zinc/65/76/17/446657617.db2.gz JJPUGKQJBJOMQK-GFCCVEGCSA-N 2 2 327.379 1.204 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423732698 446666044 /nfs/dbraw/zinc/66/60/44/446666044.db2.gz ZRCXPYXQJSGMKF-OAHLLOKOSA-N 2 2 327.375 1.145 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423732698 446666050 /nfs/dbraw/zinc/66/60/50/446666050.db2.gz ZRCXPYXQJSGMKF-OAHLLOKOSA-N 2 2 327.375 1.145 20 0 EDADLP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)C(=O)OCC ZINC000411639993 446631195 /nfs/dbraw/zinc/63/11/95/446631195.db2.gz BIXQKIVAEMDCCS-CQSZACIVSA-N 2 2 339.480 1.393 20 0 EDADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)C(=O)OCC ZINC000411639993 446631201 /nfs/dbraw/zinc/63/12/01/446631201.db2.gz BIXQKIVAEMDCCS-CQSZACIVSA-N 2 2 339.480 1.393 20 0 EDADLP C[C@H](O)CNc1[nH+]c2ccccc2n1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418767670 446687288 /nfs/dbraw/zinc/68/72/88/446687288.db2.gz SLLLQFGFBWZODB-SOUVJXGZSA-N 2 2 330.432 1.692 20 0 EDADLP C[C@H](O)CNc1[nH+]c2ccccc2n1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418767670 446687294 /nfs/dbraw/zinc/68/72/94/446687294.db2.gz SLLLQFGFBWZODB-SOUVJXGZSA-N 2 2 330.432 1.692 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CC[NH+](Cc2ccco2)CC1 ZINC000418772851 446690816 /nfs/dbraw/zinc/69/08/16/446690816.db2.gz USFSFJKBRGRHSH-CYBMUJFWSA-N 2 2 342.390 1.352 20 0 EDADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423767097 446694553 /nfs/dbraw/zinc/69/45/53/446694553.db2.gz BSBGMFIRQBUICT-HNNXBMFYSA-N 2 2 327.432 1.254 20 0 EDADLP Cc1nn(C)c2nccc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c12 ZINC000420617570 446706528 /nfs/dbraw/zinc/70/65/28/446706528.db2.gz UXNVODOPFADEPE-AWEZNQCLSA-N 2 2 342.491 1.881 20 0 EDADLP Cc1nn(C)c2nccc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c12 ZINC000420617570 446706550 /nfs/dbraw/zinc/70/65/50/446706550.db2.gz UXNVODOPFADEPE-AWEZNQCLSA-N 2 2 342.491 1.881 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000423817019 446707483 /nfs/dbraw/zinc/70/74/83/446707483.db2.gz YOBIVDFVYSSQCA-LJQANCHMSA-N 2 2 347.459 1.218 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000423831067 446720027 /nfs/dbraw/zinc/72/00/27/446720027.db2.gz BIQPMQCBYXBSOI-SFHVURJKSA-N 2 2 346.475 1.807 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000423852547 446732086 /nfs/dbraw/zinc/73/20/86/446732086.db2.gz VUGYWKRHZKPIDV-SFHVURJKSA-N 2 2 344.459 1.431 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418764077 446682894 /nfs/dbraw/zinc/68/28/94/446682894.db2.gz NRRKVQSDJNNHFA-TZMCWYRMSA-N 2 2 332.439 1.603 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)cn1 ZINC000423753332 446683469 /nfs/dbraw/zinc/68/34/69/446683469.db2.gz GXUHPUHQQSUBSO-KURKYZTESA-N 2 2 345.491 1.375 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)cn1 ZINC000423753332 446683474 /nfs/dbraw/zinc/68/34/74/446683474.db2.gz GXUHPUHQQSUBSO-KURKYZTESA-N 2 2 345.491 1.375 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)cn1 ZINC000423754436 446684349 /nfs/dbraw/zinc/68/43/49/446684349.db2.gz HZJWZJQPBLJWGI-SJLPKXTDSA-N 2 2 347.507 1.716 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)cn1 ZINC000423754436 446684353 /nfs/dbraw/zinc/68/43/53/446684353.db2.gz HZJWZJQPBLJWGI-SJLPKXTDSA-N 2 2 347.507 1.716 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371353360 446799131 /nfs/dbraw/zinc/79/91/31/446799131.db2.gz NIMLVPYGHQOFHD-BRWVUGGUSA-N 2 2 343.475 1.976 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371353360 446799136 /nfs/dbraw/zinc/79/91/36/446799136.db2.gz NIMLVPYGHQOFHD-BRWVUGGUSA-N 2 2 343.475 1.976 20 0 EDADLP CN(C(=O)NC1CCC(O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375382688 446760589 /nfs/dbraw/zinc/76/05/89/446760589.db2.gz YSVVHAVHMATZJF-ARWYELJZSA-N 2 2 338.496 1.100 20 0 EDADLP CN(C(=O)NC1CCC(O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375382688 446760593 /nfs/dbraw/zinc/76/05/93/446760593.db2.gz YSVVHAVHMATZJF-ARWYELJZSA-N 2 2 338.496 1.100 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423925804 446776333 /nfs/dbraw/zinc/77/63/33/446776333.db2.gz BVZRWJAHWMAVNJ-NJAFHUGGSA-N 2 2 333.476 1.905 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423925804 446776342 /nfs/dbraw/zinc/77/63/42/446776342.db2.gz BVZRWJAHWMAVNJ-NJAFHUGGSA-N 2 2 333.476 1.905 20 0 EDADLP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423927756 446778417 /nfs/dbraw/zinc/77/84/17/446778417.db2.gz JJSGSVFPFNDLBR-HOTGVXAUSA-N 2 2 344.459 1.804 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(F)(c3ccccc3)C2)CC1 ZINC000376919744 446797486 /nfs/dbraw/zinc/79/74/86/446797486.db2.gz PCZIWKMTMICLKU-UHFFFAOYSA-N 2 2 348.466 1.903 20 0 EDADLP COC[C@@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368366879 446814646 /nfs/dbraw/zinc/81/46/46/446814646.db2.gz JFLHOKHKDSCNAL-GOEBONIOSA-N 2 2 326.485 1.079 20 0 EDADLP COC[C@@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368366879 446814649 /nfs/dbraw/zinc/81/46/49/446814649.db2.gz JFLHOKHKDSCNAL-GOEBONIOSA-N 2 2 326.485 1.079 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)o1 ZINC000368401744 446839519 /nfs/dbraw/zinc/83/95/19/446839519.db2.gz GCJKWXUHPKKNHZ-SUMWQHHRSA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)o1 ZINC000368401744 446839524 /nfs/dbraw/zinc/83/95/24/446839524.db2.gz GCJKWXUHPKKNHZ-SUMWQHHRSA-N 2 2 346.431 1.972 20 0 EDADLP CCCCNc1cc(N2CC[N@H+](CCOC)[C@@H](CC)C2)nc(N)[nH+]1 ZINC000439156030 446808892 /nfs/dbraw/zinc/80/88/92/446808892.db2.gz CULYLQQLFOEKJI-AWEZNQCLSA-N 2 2 336.484 1.818 20 0 EDADLP CCCCNc1cc(N2CC[N@@H+](CCOC)[C@@H](CC)C2)nc(N)[nH+]1 ZINC000439156030 446808900 /nfs/dbraw/zinc/80/89/00/446808900.db2.gz CULYLQQLFOEKJI-AWEZNQCLSA-N 2 2 336.484 1.818 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000418997440 446855855 /nfs/dbraw/zinc/85/58/55/446855855.db2.gz GATSLOIVYUJKFG-UHFFFAOYSA-N 2 2 346.475 1.405 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000418997440 446855860 /nfs/dbraw/zinc/85/58/60/446855860.db2.gz GATSLOIVYUJKFG-UHFFFAOYSA-N 2 2 346.475 1.405 20 0 EDADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424136396 446860127 /nfs/dbraw/zinc/86/01/27/446860127.db2.gz ANYKUVOKYYUPEW-GFCCVEGCSA-N 2 2 337.387 1.710 20 0 EDADLP Cn1c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2sc1=O ZINC000368440772 446865633 /nfs/dbraw/zinc/86/56/33/446865633.db2.gz HLXOVYNPYBCEBM-KBPBESRZSA-N 2 2 333.457 1.553 20 0 EDADLP Cn1c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2sc1=O ZINC000368440772 446865636 /nfs/dbraw/zinc/86/56/36/446865636.db2.gz HLXOVYNPYBCEBM-KBPBESRZSA-N 2 2 333.457 1.553 20 0 EDADLP C[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371460057 446870719 /nfs/dbraw/zinc/87/07/19/446870719.db2.gz QEFFYYIPYCQFCO-BWPKMQGJSA-N 2 2 346.450 1.861 20 0 EDADLP C[C@H]1CN(C(=O)/C=C/c2cncc(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371460057 446870723 /nfs/dbraw/zinc/87/07/23/446870723.db2.gz QEFFYYIPYCQFCO-BWPKMQGJSA-N 2 2 346.450 1.861 20 0 EDADLP COCC[NH+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420900882 446877238 /nfs/dbraw/zinc/87/72/38/446877238.db2.gz JSWIUGPBOITCLW-UHFFFAOYSA-N 2 2 333.476 1.283 20 0 EDADLP COCCN1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420900882 446877243 /nfs/dbraw/zinc/87/72/43/446877243.db2.gz JSWIUGPBOITCLW-UHFFFAOYSA-N 2 2 333.476 1.283 20 0 EDADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910120 446884148 /nfs/dbraw/zinc/88/41/48/446884148.db2.gz DTILWIUKVMAWOD-MSOLQXFVSA-N 2 2 348.443 1.281 20 0 EDADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420910120 446884152 /nfs/dbraw/zinc/88/41/52/446884152.db2.gz DTILWIUKVMAWOD-MSOLQXFVSA-N 2 2 348.443 1.281 20 0 EDADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920170 446889761 /nfs/dbraw/zinc/88/97/61/446889761.db2.gz JHENFCFWUQUEIM-IBGZPJMESA-N 2 2 345.487 1.865 20 0 EDADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920170 446889767 /nfs/dbraw/zinc/88/97/67/446889767.db2.gz JHENFCFWUQUEIM-IBGZPJMESA-N 2 2 345.487 1.865 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC000420926926 446897630 /nfs/dbraw/zinc/89/76/30/446897630.db2.gz YRHFAXOUAWAYMB-MSOLQXFVSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC000420926926 446897635 /nfs/dbraw/zinc/89/76/35/446897635.db2.gz YRHFAXOUAWAYMB-MSOLQXFVSA-N 2 2 347.503 1.406 20 0 EDADLP CO[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000442658294 446926302 /nfs/dbraw/zinc/92/63/02/446926302.db2.gz UMFNRTQKVHUSAB-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP COc1ncc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(C)n1 ZINC000375606279 446919645 /nfs/dbraw/zinc/91/96/45/446919645.db2.gz HORUFLYIIMFUJU-RRQGHBQHSA-N 2 2 334.464 1.773 20 0 EDADLP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(C)n1 ZINC000375606279 446919650 /nfs/dbraw/zinc/91/96/50/446919650.db2.gz HORUFLYIIMFUJU-RRQGHBQHSA-N 2 2 334.464 1.773 20 0 EDADLP C[C@@H]([NH3+])C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000442662143 446928231 /nfs/dbraw/zinc/92/82/31/446928231.db2.gz GZRWNKQSRUHGEX-NEPJUHHUSA-N 2 2 331.416 1.648 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000442756716 446953581 /nfs/dbraw/zinc/95/35/81/446953581.db2.gz ADTXEXOXSKPFCE-KGLIPLIRSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000442756716 446953589 /nfs/dbraw/zinc/95/35/89/446953589.db2.gz ADTXEXOXSKPFCE-KGLIPLIRSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000442767433 446959457 /nfs/dbraw/zinc/95/94/57/446959457.db2.gz YRUVMWOQZYKJTK-GJZGRUSLSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000442767433 446959465 /nfs/dbraw/zinc/95/94/65/446959465.db2.gz YRUVMWOQZYKJTK-GJZGRUSLSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000442767430 446959502 /nfs/dbraw/zinc/95/95/02/446959502.db2.gz YRUVMWOQZYKJTK-CABCVRRESA-N 2 2 331.464 1.680 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000442767430 446959507 /nfs/dbraw/zinc/95/95/07/446959507.db2.gz YRUVMWOQZYKJTK-CABCVRRESA-N 2 2 331.464 1.680 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000442766542 446960205 /nfs/dbraw/zinc/96/02/05/446960205.db2.gz WUXOZBWJFHXSJJ-ZIAGYGMSSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000442766542 446960217 /nfs/dbraw/zinc/96/02/17/446960217.db2.gz WUXOZBWJFHXSJJ-ZIAGYGMSSA-N 2 2 330.432 1.421 20 0 EDADLP CC[N@@H+](CCO)CCNC(=O)NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000368653966 447008111 /nfs/dbraw/zinc/00/81/11/447008111.db2.gz VCAMKTIPLOXUBN-UHFFFAOYSA-N 2 2 345.447 1.201 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000413113372 447009503 /nfs/dbraw/zinc/00/95/03/447009503.db2.gz YMQDMQSOBUOZTN-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000413113372 447009514 /nfs/dbraw/zinc/00/95/14/447009514.db2.gz YMQDMQSOBUOZTN-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000375738970 447012645 /nfs/dbraw/zinc/01/26/45/447012645.db2.gz VONHRIJTPABIHR-MQVJKMGUSA-N 2 2 333.480 1.210 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000375738970 447012653 /nfs/dbraw/zinc/01/26/53/447012653.db2.gz VONHRIJTPABIHR-MQVJKMGUSA-N 2 2 333.480 1.210 20 0 EDADLP CCn1cc(CC[N@@H+]2CCCN(Cc3[nH+]ccn3CC)CC2)cn1 ZINC000375681843 446972617 /nfs/dbraw/zinc/97/26/17/446972617.db2.gz ZMOUCKZIMJQEEA-UHFFFAOYSA-N 2 2 330.480 1.870 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)nc[nH+]1 ZINC000413024733 446987314 /nfs/dbraw/zinc/98/73/14/446987314.db2.gz FLGLYKCMQKWLGB-HOCLYGCPSA-N 2 2 329.448 1.854 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375813341 447071648 /nfs/dbraw/zinc/07/16/48/447071648.db2.gz ZIFGMKCGZJVMPZ-HZPDHXFCSA-N 2 2 336.436 1.561 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000368698502 447048183 /nfs/dbraw/zinc/04/81/83/447048183.db2.gz OCYXKIHFSMAFKJ-YJBOKZPZSA-N 2 2 337.464 1.051 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3c(F)cccc3F)CC2)CC1 ZINC000372366328 447048232 /nfs/dbraw/zinc/04/82/32/447048232.db2.gz KHTIJOCKSDOWTQ-UHFFFAOYSA-N 2 2 337.414 1.918 20 0 EDADLP Cc1[nH]c(=O)ccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375787466 447048525 /nfs/dbraw/zinc/04/85/25/447048525.db2.gz GULKPEGAGODNOE-ZDUSSCGKSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1[nH]c(=O)ccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375787466 447048528 /nfs/dbraw/zinc/04/85/28/447048528.db2.gz GULKPEGAGODNOE-ZDUSSCGKSA-N 2 2 332.448 1.336 20 0 EDADLP CN(CC(=O)Nc1cccc(F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372367271 447049430 /nfs/dbraw/zinc/04/94/30/447049430.db2.gz FWAXXHNJQJABFI-SFHVURJKSA-N 2 2 348.466 1.865 20 0 EDADLP CN(CC(=O)Nc1cccc(F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372367271 447049435 /nfs/dbraw/zinc/04/94/35/447049435.db2.gz FWAXXHNJQJABFI-SFHVURJKSA-N 2 2 348.466 1.865 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372367271 447049443 /nfs/dbraw/zinc/04/94/43/447049443.db2.gz FWAXXHNJQJABFI-SFHVURJKSA-N 2 2 348.466 1.865 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372367271 447049451 /nfs/dbraw/zinc/04/94/51/447049451.db2.gz FWAXXHNJQJABFI-SFHVURJKSA-N 2 2 348.466 1.865 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000372461424 447064480 /nfs/dbraw/zinc/06/44/80/447064480.db2.gz CGPAZRMGKLSONL-HBUWYVDXSA-N 2 2 332.448 1.296 20 0 EDADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000368804387 447118357 /nfs/dbraw/zinc/11/83/57/447118357.db2.gz DTFUGLXQLVEBOV-HBFSDRIKSA-N 2 2 343.471 1.046 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1(C)C ZINC000444167294 447085691 /nfs/dbraw/zinc/08/56/91/447085691.db2.gz DOQHEWMHTMGYNA-IINYFYTJSA-N 2 2 348.369 1.594 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccnc(N(C)C)n3)CC2)CC1 ZINC000421368102 447142930 /nfs/dbraw/zinc/14/29/30/447142930.db2.gz FVUHVMDLUOXXAG-UHFFFAOYSA-N 2 2 346.523 1.535 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccnc(N(C)C)n3)CC2)CC1 ZINC000421368102 447142940 /nfs/dbraw/zinc/14/29/40/447142940.db2.gz FVUHVMDLUOXXAG-UHFFFAOYSA-N 2 2 346.523 1.535 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccnc(N(C)C)n3)CC2)CC1 ZINC000421368102 447142946 /nfs/dbraw/zinc/14/29/46/447142946.db2.gz FVUHVMDLUOXXAG-UHFFFAOYSA-N 2 2 346.523 1.535 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccnc(N(C)C)n3)CC2)CC1 ZINC000421368102 447142955 /nfs/dbraw/zinc/14/29/55/447142955.db2.gz FVUHVMDLUOXXAG-UHFFFAOYSA-N 2 2 346.523 1.535 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000372567577 447147314 /nfs/dbraw/zinc/14/73/14/447147314.db2.gz VKMURHCHVMVLHD-HNAYVOBHSA-N 2 2 331.460 1.227 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3nc(C(F)F)no3)CC2)CC1 ZINC000425429930 447159210 /nfs/dbraw/zinc/15/92/10/447159210.db2.gz BYGPXZXNQUFTAW-UHFFFAOYSA-N 2 2 343.422 1.857 20 0 EDADLP COC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CCOCC1 ZINC000368889543 447183435 /nfs/dbraw/zinc/18/34/35/447183435.db2.gz QWOYMDRVPNWLDT-BZSNNMDCSA-N 2 2 326.481 1.519 20 0 EDADLP CCCC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000376065504 447246319 /nfs/dbraw/zinc/24/63/19/447246319.db2.gz HBDKHTSBQGAQDJ-XYTVBORESA-N 2 2 325.497 1.865 20 0 EDADLP CCCC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000376065504 447246322 /nfs/dbraw/zinc/24/63/22/447246322.db2.gz HBDKHTSBQGAQDJ-XYTVBORESA-N 2 2 325.497 1.865 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000413795989 447246591 /nfs/dbraw/zinc/24/65/91/447246591.db2.gz CHEOANHVLMPUEG-ZWKOTPCHSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000413795989 447246595 /nfs/dbraw/zinc/24/65/95/447246595.db2.gz CHEOANHVLMPUEG-ZWKOTPCHSA-N 2 2 331.460 1.224 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCCn1cc[nH+]c1C)CCC2 ZINC000372726884 447249161 /nfs/dbraw/zinc/24/91/61/447249161.db2.gz MRVHUJPVXRJQGO-HNNXBMFYSA-N 2 2 330.436 1.963 20 0 EDADLP COCCCn1nccc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377669608 447284389 /nfs/dbraw/zinc/28/43/89/447284389.db2.gz HFZKIUWSEFBBIK-GOSISDBHSA-N 2 2 349.523 1.522 20 0 EDADLP COCCCn1nccc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377669608 447284396 /nfs/dbraw/zinc/28/43/96/447284396.db2.gz HFZKIUWSEFBBIK-GOSISDBHSA-N 2 2 349.523 1.522 20 0 EDADLP COCCCn1nccc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377669610 447285027 /nfs/dbraw/zinc/28/50/27/447285027.db2.gz HFZKIUWSEFBBIK-SFHVURJKSA-N 2 2 349.523 1.522 20 0 EDADLP COCCCn1nccc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377669610 447285030 /nfs/dbraw/zinc/28/50/30/447285030.db2.gz HFZKIUWSEFBBIK-SFHVURJKSA-N 2 2 349.523 1.522 20 0 EDADLP CCc1ncc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000414395993 447296033 /nfs/dbraw/zinc/29/60/33/447296033.db2.gz LINZCBJGFMUSHH-UHFFFAOYSA-N 2 2 327.436 1.217 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000372811571 447297269 /nfs/dbraw/zinc/29/72/69/447297269.db2.gz HEJUJCBURYVHEI-CABCVRRESA-N 2 2 340.537 1.692 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000372811571 447297273 /nfs/dbraw/zinc/29/72/73/447297273.db2.gz HEJUJCBURYVHEI-CABCVRRESA-N 2 2 340.537 1.692 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)ccc21 ZINC000455944751 447264631 /nfs/dbraw/zinc/26/46/31/447264631.db2.gz VWKAQZWKMMUBJQ-SQNIBIBYSA-N 2 2 344.459 1.782 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)ccc21 ZINC000455944751 447264638 /nfs/dbraw/zinc/26/46/38/447264638.db2.gz VWKAQZWKMMUBJQ-SQNIBIBYSA-N 2 2 344.459 1.782 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000372767871 447277575 /nfs/dbraw/zinc/27/75/75/447277575.db2.gz RIKZSYWPESWTTK-HNNXBMFYSA-N 2 2 333.480 1.856 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000372767871 447277578 /nfs/dbraw/zinc/27/75/78/447277578.db2.gz RIKZSYWPESWTTK-HNNXBMFYSA-N 2 2 333.480 1.856 20 0 EDADLP CN(C)c1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)[nH+]c2ccccc21 ZINC000450353076 447464360 /nfs/dbraw/zinc/46/43/60/447464360.db2.gz DEJDWERJOAXYOI-OAHLLOKOSA-N 2 2 341.459 1.854 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(OC)nn3)no2)[C@H](C)C1 ZINC000450561122 447526048 /nfs/dbraw/zinc/52/60/48/447526048.db2.gz GSUUDAMXOGAQIC-OCCSQVGLSA-N 2 2 346.435 1.697 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc(-c3ccc(OC)nn3)no2)[C@H](C)C1 ZINC000450561122 447526055 /nfs/dbraw/zinc/52/60/55/447526055.db2.gz GSUUDAMXOGAQIC-OCCSQVGLSA-N 2 2 346.435 1.697 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc(OC)nn3)no2)[C@H](C)C1 ZINC000450561122 447526060 /nfs/dbraw/zinc/52/60/60/447526060.db2.gz GSUUDAMXOGAQIC-OCCSQVGLSA-N 2 2 346.435 1.697 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc(-c3ccc(OC)nn3)no2)[C@H](C)C1 ZINC000450561122 447526069 /nfs/dbraw/zinc/52/60/69/447526069.db2.gz GSUUDAMXOGAQIC-OCCSQVGLSA-N 2 2 346.435 1.697 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390549817 447494733 /nfs/dbraw/zinc/49/47/33/447494733.db2.gz JQUXSXSAIAGXMP-YZGWKJHDSA-N 3 2 347.503 1.634 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390549817 447494739 /nfs/dbraw/zinc/49/47/39/447494739.db2.gz JQUXSXSAIAGXMP-YZGWKJHDSA-N 3 2 347.503 1.634 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426887526 447512516 /nfs/dbraw/zinc/51/25/16/447512516.db2.gz XEWUGAJVIAXXPN-SFHVURJKSA-N 2 2 345.491 1.308 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426887526 447512518 /nfs/dbraw/zinc/51/25/18/447512518.db2.gz XEWUGAJVIAXXPN-SFHVURJKSA-N 2 2 345.491 1.308 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)N3CCC[C@H]3C[NH3+])cc2[nH+]c1C1CC1 ZINC000415484730 447473434 /nfs/dbraw/zinc/47/34/34/447473434.db2.gz OCDUIJFHWMZGPY-ZDUSSCGKSA-N 2 2 341.415 1.339 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000456886646 447475521 /nfs/dbraw/zinc/47/55/21/447475521.db2.gz UVCHLGHYXQBCFU-OAHLLOKOSA-N 2 2 333.480 1.293 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000456886646 447475527 /nfs/dbraw/zinc/47/55/27/447475527.db2.gz UVCHLGHYXQBCFU-OAHLLOKOSA-N 2 2 333.480 1.293 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CC[C@H](OC(F)F)C1)C[NH+]1CCC2CC1 ZINC000495649305 447542693 /nfs/dbraw/zinc/54/26/93/447542693.db2.gz CGJLATSLZJYULT-WFASDCNBSA-N 2 2 331.363 1.174 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CC[C@H](OC(F)F)C1)C[NH+]1CCC2CC1 ZINC000495649305 447542699 /nfs/dbraw/zinc/54/26/99/447542699.db2.gz CGJLATSLZJYULT-WFASDCNBSA-N 2 2 331.363 1.174 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H](C)c2[nH+]ccn2CC)CC[N@@H+]1C[C@H](C)O ZINC000459043535 447550459 /nfs/dbraw/zinc/55/04/59/447550459.db2.gz DERIAAQJMPVYQU-RRFJBIMHSA-N 2 2 337.468 1.451 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H](C)c2[nH+]ccn2CC)CC[N@H+]1C[C@H](C)O ZINC000459043535 447550462 /nfs/dbraw/zinc/55/04/62/447550462.db2.gz DERIAAQJMPVYQU-RRFJBIMHSA-N 2 2 337.468 1.451 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398054316 447554043 /nfs/dbraw/zinc/55/40/43/447554043.db2.gz UVJOQNOEWMUTBI-SZMVWBNQSA-N 2 2 334.460 1.943 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398054316 447554050 /nfs/dbraw/zinc/55/40/50/447554050.db2.gz UVJOQNOEWMUTBI-SZMVWBNQSA-N 2 2 334.460 1.943 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420050643 447568605 /nfs/dbraw/zinc/56/86/05/447568605.db2.gz VGLLASSHPBTGBV-ZNMIVQPWSA-N 2 2 347.463 1.200 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(C3CC3)nc2)nc[nH+]1 ZINC000459395586 447651228 /nfs/dbraw/zinc/65/12/28/447651228.db2.gz CLONOHBJFNXSRW-HNNXBMFYSA-N 2 2 339.447 1.944 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)CCO1 ZINC000427772782 447647339 /nfs/dbraw/zinc/64/73/39/447647339.db2.gz WPSMRFMWTJLUPE-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)CCO1 ZINC000427772782 447647342 /nfs/dbraw/zinc/64/73/42/447647342.db2.gz WPSMRFMWTJLUPE-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000427772782 447647347 /nfs/dbraw/zinc/64/73/47/447647347.db2.gz WPSMRFMWTJLUPE-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000427772782 447647350 /nfs/dbraw/zinc/64/73/50/447647350.db2.gz WPSMRFMWTJLUPE-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCSc3ccccc32)C[C@H]1C[NH3+] ZINC000405584679 447613151 /nfs/dbraw/zinc/61/31/51/447613151.db2.gz LBRGKXUDFMTGMA-UKRRQHHQSA-N 2 2 335.473 1.421 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCSc3ccccc32)C[C@H]1C[NH3+] ZINC000405584679 447613168 /nfs/dbraw/zinc/61/31/68/447613168.db2.gz LBRGKXUDFMTGMA-UKRRQHHQSA-N 2 2 335.473 1.421 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000457857583 447651996 /nfs/dbraw/zinc/65/19/96/447651996.db2.gz MVIBJOQAAWZWBY-SFHVURJKSA-N 2 2 342.443 1.370 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000457857583 447652000 /nfs/dbraw/zinc/65/20/00/447652000.db2.gz MVIBJOQAAWZWBY-SFHVURJKSA-N 2 2 342.443 1.370 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416868984 447699429 /nfs/dbraw/zinc/69/94/29/447699429.db2.gz UTHNYYCNDAQVPX-SFHVURJKSA-N 2 2 348.491 1.836 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416888506 447701612 /nfs/dbraw/zinc/70/16/12/447701612.db2.gz JBTASYGIVFJORU-SZMVWBNQSA-N 2 2 346.475 1.439 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030792 447656923 /nfs/dbraw/zinc/65/69/23/447656923.db2.gz UWXNTVQGTUYRHY-JKSUJKDBSA-N 2 2 334.464 1.321 20 0 EDADLP C[C@H]1COCCN1CC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030792 447656927 /nfs/dbraw/zinc/65/69/27/447656927.db2.gz UWXNTVQGTUYRHY-JKSUJKDBSA-N 2 2 334.464 1.321 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)cc(C)[nH+]1 ZINC000422591011 447659976 /nfs/dbraw/zinc/65/99/76/447659976.db2.gz QDOXYFLAJXMLBG-UHFFFAOYSA-N 2 2 334.464 1.361 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc(C)[nH+]1 ZINC000422593091 447660799 /nfs/dbraw/zinc/66/07/99/447660799.db2.gz UENJDWJDLXGBGF-INIZCTEOSA-N 2 2 332.448 1.256 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc(C)[nH+]1 ZINC000422593091 447660805 /nfs/dbraw/zinc/66/08/05/447660805.db2.gz UENJDWJDLXGBGF-INIZCTEOSA-N 2 2 332.448 1.256 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC(C)(C)CC[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000422594093 447661042 /nfs/dbraw/zinc/66/10/42/447661042.db2.gz REILXTARVBDZAO-ZIAGYGMSSA-N 2 2 349.479 1.622 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422639618 447683557 /nfs/dbraw/zinc/68/35/57/447683557.db2.gz TXMQTOKFOQQXFZ-MJBXVCDLSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422639618 447683564 /nfs/dbraw/zinc/68/35/64/447683564.db2.gz TXMQTOKFOQQXFZ-MJBXVCDLSA-N 2 2 335.448 1.948 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416802172 447687271 /nfs/dbraw/zinc/68/72/71/447687271.db2.gz AWJPQCMYAGNQDX-RDJZCZTQSA-N 2 2 334.464 1.042 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416802172 447687277 /nfs/dbraw/zinc/68/72/77/447687277.db2.gz AWJPQCMYAGNQDX-RDJZCZTQSA-N 2 2 334.464 1.042 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416919203 447710153 /nfs/dbraw/zinc/71/01/53/447710153.db2.gz QPKYUSJFGRCSAW-KRWDZBQOSA-N 2 2 327.432 1.825 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000416928277 447712817 /nfs/dbraw/zinc/71/28/17/447712817.db2.gz XXZSPQTVBDCUEG-CABCVRRESA-N 2 2 331.395 1.700 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000416943613 447720380 /nfs/dbraw/zinc/72/03/80/447720380.db2.gz CLHOLGGGBIVDKM-IRXDYDNUSA-N 2 2 341.459 1.901 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000422739444 447734256 /nfs/dbraw/zinc/73/42/56/447734256.db2.gz LHZZRYAOIDZDOA-PXNSSMCTSA-N 3 2 332.536 1.808 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000422744707 447736554 /nfs/dbraw/zinc/73/65/54/447736554.db2.gz KSGOGFKTJUBLTJ-OAGGEKHMSA-N 2 2 339.505 1.478 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422758040 447741757 /nfs/dbraw/zinc/74/17/57/447741757.db2.gz JZFXVBLLNXXFQU-KCQAQPDRSA-N 2 2 341.477 1.012 20 0 EDADLP CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422766589 447744181 /nfs/dbraw/zinc/74/41/81/447744181.db2.gz RYDRQLBMYDQXOO-HZPDHXFCSA-N 2 2 325.478 1.475 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422843200 447766666 /nfs/dbraw/zinc/76/66/66/447766666.db2.gz HIWRRJAGYDIBEC-IEBWSBKVSA-N 4 2 331.508 1.701 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430555024 447777744 /nfs/dbraw/zinc/77/77/44/447777744.db2.gz HMDCTKBSCMJFQX-SOUVJXGZSA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430555024 447777748 /nfs/dbraw/zinc/77/77/48/447777748.db2.gz HMDCTKBSCMJFQX-SOUVJXGZSA-N 2 2 333.432 1.002 20 0 EDADLP O=C(NCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000422958594 447780733 /nfs/dbraw/zinc/78/07/33/447780733.db2.gz POKIMHJRALWEDA-IRXDYDNUSA-N 2 2 335.423 1.302 20 0 EDADLP O=C1CCCN1Cc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422957272 447780772 /nfs/dbraw/zinc/78/07/72/447780772.db2.gz MZIPXTHFWKGEAZ-AZUAARDMSA-N 2 2 343.471 1.666 20 0 EDADLP O=C(CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1Cc2ccccc2C1 ZINC000422960125 447781457 /nfs/dbraw/zinc/78/14/57/447781457.db2.gz VFLSDRNIPXEICJ-AZUAARDMSA-N 2 2 343.471 1.666 20 0 EDADLP Cn1cc(-c2cccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)c2)cn1 ZINC000422966165 447783115 /nfs/dbraw/zinc/78/31/15/447783115.db2.gz QVGDVVZPJVYJDE-RBUKOAKNSA-N 2 2 326.444 1.944 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc(C)[nH+]1 ZINC000422972932 447784620 /nfs/dbraw/zinc/78/46/20/447784620.db2.gz NCPXTHBEPSINDS-CQSZACIVSA-N 2 2 340.427 1.651 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)nc1 ZINC000423030430 447794251 /nfs/dbraw/zinc/79/42/51/447794251.db2.gz JROGLJKXNSOBOA-CZUORRHYSA-N 2 2 332.448 1.567 20 0 EDADLP FC(F)COc1ncccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423032172 447794468 /nfs/dbraw/zinc/79/44/68/447794468.db2.gz XREUPYMNGAHPOD-ZFWWWQNUSA-N 2 2 327.375 1.582 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC[NH2+]CC1 ZINC000423078148 447800014 /nfs/dbraw/zinc/80/00/14/447800014.db2.gz VFXYBFHNOSKUCQ-DOTOQJQBSA-N 3 2 337.508 1.914 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC[NH2+]CC1 ZINC000423078148 447800017 /nfs/dbraw/zinc/80/00/17/447800017.db2.gz VFXYBFHNOSKUCQ-DOTOQJQBSA-N 3 2 337.508 1.914 20 0 EDADLP FC(F)(F)COc1cnccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423114207 447808785 /nfs/dbraw/zinc/80/87/85/447808785.db2.gz YUJKCVWLLRFUDR-CABCVRRESA-N 2 2 345.365 1.879 20 0 EDADLP C[C@H](CNc1nc(NC[C@@H](C)C[NH+](C)C)c(Cl)c[nH+]1)C[NH+](C)C ZINC000489021189 447851567 /nfs/dbraw/zinc/85/15/67/447851567.db2.gz VBBWZZZNGGAYBA-CHWSQXEVSA-N 3 2 342.919 1.193 20 0 EDADLP O=C(C[N@H+]1CC[C@@](O)(C2CC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000489147166 447851724 /nfs/dbraw/zinc/85/17/24/447851724.db2.gz GVCKLTQULGPVCC-SFHVURJKSA-N 2 2 349.500 1.239 20 0 EDADLP O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000489147166 447851725 /nfs/dbraw/zinc/85/17/25/447851725.db2.gz GVCKLTQULGPVCC-SFHVURJKSA-N 2 2 349.500 1.239 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523121406 447873669 /nfs/dbraw/zinc/87/36/69/447873669.db2.gz GSAAPMNGFIKOGA-AWEZNQCLSA-N 2 2 328.420 1.513 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523121406 447873671 /nfs/dbraw/zinc/87/36/71/447873671.db2.gz GSAAPMNGFIKOGA-AWEZNQCLSA-N 2 2 328.420 1.513 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCc4n[nH]cc4C3)c2cc1C ZINC000569715374 447875840 /nfs/dbraw/zinc/87/58/40/447875840.db2.gz IBWFXUOJNRFBBZ-HZPDHXFCSA-N 2 2 339.443 1.884 20 0 EDADLP CC(C)OC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496747872 447877992 /nfs/dbraw/zinc/87/79/92/447877992.db2.gz HQHLETMJSKDQBC-GOSISDBHSA-N 2 2 337.464 1.750 20 0 EDADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000569756747 447883590 /nfs/dbraw/zinc/88/35/90/447883590.db2.gz NHKDLZNNBDKGIQ-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000569756747 447883597 /nfs/dbraw/zinc/88/35/97/447883597.db2.gz NHKDLZNNBDKGIQ-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)n1C ZINC000497154407 447900940 /nfs/dbraw/zinc/90/09/40/447900940.db2.gz XPCLLYZPGHNUHU-HNNXBMFYSA-N 2 2 337.468 1.369 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496821281 447941187 /nfs/dbraw/zinc/94/11/87/447941187.db2.gz PSKRLTYMMZYJRD-IRXDYDNUSA-N 2 2 341.496 1.822 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496821281 447941191 /nfs/dbraw/zinc/94/11/91/447941191.db2.gz PSKRLTYMMZYJRD-IRXDYDNUSA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496821281 447941194 /nfs/dbraw/zinc/94/11/94/447941194.db2.gz PSKRLTYMMZYJRD-IRXDYDNUSA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496821281 447941197 /nfs/dbraw/zinc/94/11/97/447941197.db2.gz PSKRLTYMMZYJRD-IRXDYDNUSA-N 2 2 341.496 1.822 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496826684 447946628 /nfs/dbraw/zinc/94/66/28/447946628.db2.gz HHIHROMUBFZLQH-QAPCUYQASA-N 2 2 341.496 1.822 20 0 EDADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496826684 447946632 /nfs/dbraw/zinc/94/66/32/447946632.db2.gz HHIHROMUBFZLQH-QAPCUYQASA-N 2 2 341.496 1.822 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)c1ccccc1C[NH+]1CCOCC1 ZINC000530814782 447964519 /nfs/dbraw/zinc/96/45/19/447964519.db2.gz VIVDCZCFWQJNIK-UHFFFAOYSA-N 2 2 342.443 1.926 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N3CCSCC3)CC2)CC1 ZINC000570276904 447976235 /nfs/dbraw/zinc/97/62/35/447976235.db2.gz XRDLDELFQHOQBP-UHFFFAOYSA-N 2 2 340.537 1.647 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N3CCSCC3)CC2)CC1 ZINC000570276904 447976240 /nfs/dbraw/zinc/97/62/40/447976240.db2.gz XRDLDELFQHOQBP-UHFFFAOYSA-N 2 2 340.537 1.647 20 0 EDADLP C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576134218 447981350 /nfs/dbraw/zinc/98/13/50/447981350.db2.gz WLBWTZUBKDBGJS-QGPMSJSTSA-N 2 2 330.476 1.984 20 0 EDADLP C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576134218 447981351 /nfs/dbraw/zinc/98/13/51/447981351.db2.gz WLBWTZUBKDBGJS-QGPMSJSTSA-N 2 2 330.476 1.984 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000576212889 448000596 /nfs/dbraw/zinc/00/05/96/448000596.db2.gz FNULJSVWKBPDLY-KRWDZBQOSA-N 2 2 346.475 1.006 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000576212889 448000601 /nfs/dbraw/zinc/00/06/01/448000601.db2.gz FNULJSVWKBPDLY-KRWDZBQOSA-N 2 2 346.475 1.006 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000497284535 448037570 /nfs/dbraw/zinc/03/75/70/448037570.db2.gz QCOYIQMCUORBFT-RHSMWYFYSA-N 2 2 327.469 1.147 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000497284535 448037573 /nfs/dbraw/zinc/03/75/73/448037573.db2.gz QCOYIQMCUORBFT-RHSMWYFYSA-N 2 2 327.469 1.147 20 0 EDADLP O=S1(=O)NC(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)=Nc2ccccc21 ZINC000570668328 448045096 /nfs/dbraw/zinc/04/50/96/448045096.db2.gz OXFZHZRLZSQBFI-AWEZNQCLSA-N 2 2 348.472 1.473 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c[nH+]2)CC1 ZINC000576449435 448057425 /nfs/dbraw/zinc/05/74/25/448057425.db2.gz FWAWSNYLFFSENZ-INIZCTEOSA-N 2 2 331.464 1.869 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000497331846 448069747 /nfs/dbraw/zinc/06/97/47/448069747.db2.gz QBEOYNHWAUGXPA-YYIAUSFCSA-N 2 2 328.460 1.849 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000497331846 448069753 /nfs/dbraw/zinc/06/97/53/448069753.db2.gz QBEOYNHWAUGXPA-YYIAUSFCSA-N 2 2 328.460 1.849 20 0 EDADLP Cn1c2ccc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cc2[nH]c1=O ZINC000531370650 448071709 /nfs/dbraw/zinc/07/17/09/448071709.db2.gz HGGMIVSTHNJGEI-UHFFFAOYSA-N 2 2 345.447 1.035 20 0 EDADLP Cc1nc2[nH]ccc2c(NCc2cccnc2N2CC[NH+](C)CC2)[nH+]1 ZINC000531433516 448082965 /nfs/dbraw/zinc/08/29/65/448082965.db2.gz VYALUUSONWJMKT-UHFFFAOYSA-N 2 2 337.431 2.025 20 0 EDADLP Cc1cc(Br)ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576566229 448083922 /nfs/dbraw/zinc/08/39/22/448083922.db2.gz QRBFZJVUELJCKM-GFCCVEGCSA-N 2 2 341.253 1.864 20 0 EDADLP Cc1cc(Br)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576566229 448083926 /nfs/dbraw/zinc/08/39/26/448083926.db2.gz QRBFZJVUELJCKM-GFCCVEGCSA-N 2 2 341.253 1.864 20 0 EDADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(OC)c1Cl ZINC000576567274 448084784 /nfs/dbraw/zinc/08/47/84/448084784.db2.gz VLDHJFKBRCRVMD-NSHDSACASA-N 2 2 342.827 1.464 20 0 EDADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(OC)c1Cl ZINC000576567274 448084786 /nfs/dbraw/zinc/08/47/86/448084786.db2.gz VLDHJFKBRCRVMD-NSHDSACASA-N 2 2 342.827 1.464 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000526990417 448132639 /nfs/dbraw/zinc/13/26/39/448132639.db2.gz QMNYSWMTOGMFNX-QAPCUYQASA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000526990417 448132644 /nfs/dbraw/zinc/13/26/44/448132644.db2.gz QMNYSWMTOGMFNX-QAPCUYQASA-N 2 2 328.416 1.956 20 0 EDADLP CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000576799243 448140691 /nfs/dbraw/zinc/14/06/91/448140691.db2.gz IZOBEIKGTWVIEG-SJLPKXTDSA-N 2 2 345.491 1.603 20 0 EDADLP CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000576799243 448140693 /nfs/dbraw/zinc/14/06/93/448140693.db2.gz IZOBEIKGTWVIEG-SJLPKXTDSA-N 2 2 345.491 1.603 20 0 EDADLP COCCCC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000576807786 448144143 /nfs/dbraw/zinc/14/41/43/448144143.db2.gz HLGQBDMUHQSNPE-QZTJIDSGSA-N 2 2 348.491 1.829 20 0 EDADLP COCCCC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000576807786 448144149 /nfs/dbraw/zinc/14/41/49/448144149.db2.gz HLGQBDMUHQSNPE-QZTJIDSGSA-N 2 2 348.491 1.829 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000576884766 448162807 /nfs/dbraw/zinc/16/28/07/448162807.db2.gz LIGXNWCPVYZHSH-RLLQIKCJSA-N 2 2 347.503 1.875 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000576884766 448162810 /nfs/dbraw/zinc/16/28/10/448162810.db2.gz LIGXNWCPVYZHSH-RLLQIKCJSA-N 2 2 347.503 1.875 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)C(F)(F)F ZINC000576954699 448179731 /nfs/dbraw/zinc/17/97/31/448179731.db2.gz OTGUESDDFZYUEN-RYUDHWBXSA-N 2 2 332.370 1.913 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576996058 448189311 /nfs/dbraw/zinc/18/93/11/448189311.db2.gz CVURWABPWBMUOO-QZTJIDSGSA-N 2 2 338.455 1.943 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576996058 448189318 /nfs/dbraw/zinc/18/93/18/448189318.db2.gz CVURWABPWBMUOO-QZTJIDSGSA-N 2 2 338.455 1.943 20 0 EDADLP Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000514719342 448191906 /nfs/dbraw/zinc/19/19/06/448191906.db2.gz BRNPWNXGVSGUQH-MRXNPFEDSA-N 2 2 331.464 1.702 20 0 EDADLP Cc1cc(N2CCCC2)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000514719342 448191910 /nfs/dbraw/zinc/19/19/10/448191910.db2.gz BRNPWNXGVSGUQH-MRXNPFEDSA-N 2 2 331.464 1.702 20 0 EDADLP COCCN1CC[C@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000577098324 448210656 /nfs/dbraw/zinc/21/06/56/448210656.db2.gz ZAPKAKWRDRJAPD-DLBZAZTESA-N 2 2 346.475 1.324 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1cncc(O)c1 ZINC000492518908 448230373 /nfs/dbraw/zinc/23/03/73/448230373.db2.gz IFOWYXCVTQLFQU-PLNGDYQASA-N 2 2 332.448 1.285 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1cncc(O)c1 ZINC000492518908 448230382 /nfs/dbraw/zinc/23/03/82/448230382.db2.gz IFOWYXCVTQLFQU-PLNGDYQASA-N 2 2 332.448 1.285 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC000514986159 448235728 /nfs/dbraw/zinc/23/57/28/448235728.db2.gz DJKFZEQARHMRDT-HMQMGEFJSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC000514986159 448235735 /nfs/dbraw/zinc/23/57/35/448235735.db2.gz DJKFZEQARHMRDT-HMQMGEFJSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000514986159 448235741 /nfs/dbraw/zinc/23/57/41/448235741.db2.gz DJKFZEQARHMRDT-HMQMGEFJSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000514986159 448235746 /nfs/dbraw/zinc/23/57/46/448235746.db2.gz DJKFZEQARHMRDT-HMQMGEFJSA-N 2 2 338.496 1.412 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000591022910 448237006 /nfs/dbraw/zinc/23/70/06/448237006.db2.gz YZZGPJGTKLCCQH-AWEZNQCLSA-N 2 2 344.415 1.592 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)CNCC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000577172974 448224171 /nfs/dbraw/zinc/22/41/71/448224171.db2.gz OQVYLAUUYSVPFB-BBWFWOEESA-N 2 2 327.513 1.168 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)CNCC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000577172974 448224172 /nfs/dbraw/zinc/22/41/72/448224172.db2.gz OQVYLAUUYSVPFB-BBWFWOEESA-N 2 2 327.513 1.168 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000582674116 448309446 /nfs/dbraw/zinc/30/94/46/448309446.db2.gz KIBCNWDYQHSGPK-UKRRQHHQSA-N 2 2 339.867 1.989 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000582674116 448309448 /nfs/dbraw/zinc/30/94/48/448309448.db2.gz KIBCNWDYQHSGPK-UKRRQHHQSA-N 2 2 339.867 1.989 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000577495712 448312855 /nfs/dbraw/zinc/31/28/55/448312855.db2.gz BCIBUJSDVVGSTJ-IRXDYDNUSA-N 2 2 345.487 1.876 20 0 EDADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1Br ZINC000577388982 448284325 /nfs/dbraw/zinc/28/43/25/448284325.db2.gz PASHJKOKZUSAQZ-OCCSQVGLSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1Br ZINC000577388982 448284333 /nfs/dbraw/zinc/28/43/33/448284333.db2.gz PASHJKOKZUSAQZ-OCCSQVGLSA-N 2 2 338.249 1.501 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1(C)C ZINC000582603215 448286741 /nfs/dbraw/zinc/28/67/41/448286741.db2.gz QFZZCUVWKHXVKY-MLGOLLRUSA-N 2 2 338.477 1.602 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1(C)C ZINC000582603215 448286744 /nfs/dbraw/zinc/28/67/44/448286744.db2.gz QFZZCUVWKHXVKY-MLGOLLRUSA-N 2 2 338.477 1.602 20 0 EDADLP Cn1[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1=O ZINC000572343183 448349711 /nfs/dbraw/zinc/34/97/11/448349711.db2.gz OEQYUYSMRHLHCR-UHFFFAOYSA-N 2 2 341.459 1.597 20 0 EDADLP Cn1[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1=O ZINC000572343183 448349721 /nfs/dbraw/zinc/34/97/21/448349721.db2.gz OEQYUYSMRHLHCR-UHFFFAOYSA-N 2 2 341.459 1.597 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591421699 448357407 /nfs/dbraw/zinc/35/74/07/448357407.db2.gz FYDHBWJJOPWOEU-MRXNPFEDSA-N 2 2 331.460 1.600 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591421699 448357414 /nfs/dbraw/zinc/35/74/14/448357414.db2.gz FYDHBWJJOPWOEU-MRXNPFEDSA-N 2 2 331.460 1.600 20 0 EDADLP CCCOc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000493061469 448357807 /nfs/dbraw/zinc/35/78/07/448357807.db2.gz ZFPJLFLMNKNXPV-QKIRZYONSA-N 2 2 347.459 1.599 20 0 EDADLP CCCOc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000493061469 448357809 /nfs/dbraw/zinc/35/78/09/448357809.db2.gz ZFPJLFLMNKNXPV-QKIRZYONSA-N 2 2 347.459 1.599 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)CC2 ZINC000572374314 448361090 /nfs/dbraw/zinc/36/10/90/448361090.db2.gz DMKGBRVLUJXVBO-BBRMVZONSA-N 2 2 347.459 1.400 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)CC2 ZINC000572374314 448361097 /nfs/dbraw/zinc/36/10/97/448361097.db2.gz DMKGBRVLUJXVBO-BBRMVZONSA-N 2 2 347.459 1.400 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000565906110 448384474 /nfs/dbraw/zinc/38/44/74/448384474.db2.gz XETZVGNBQAPKMX-LBPRGKRZSA-N 2 2 333.461 2.453 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000565906110 448384481 /nfs/dbraw/zinc/38/44/81/448384481.db2.gz XETZVGNBQAPKMX-LBPRGKRZSA-N 2 2 333.461 2.453 20 0 EDADLP COc1c(N)nc[nH+]c1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000565906110 448384490 /nfs/dbraw/zinc/38/44/90/448384490.db2.gz XETZVGNBQAPKMX-LBPRGKRZSA-N 2 2 333.461 2.453 20 0 EDADLP COc1c(N)nc[nH+]c1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000565906110 448384500 /nfs/dbraw/zinc/38/45/00/448384500.db2.gz XETZVGNBQAPKMX-LBPRGKRZSA-N 2 2 333.461 2.453 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000533370116 448395352 /nfs/dbraw/zinc/39/53/52/448395352.db2.gz CVZIAEPFCOPNBL-OAHLLOKOSA-N 2 2 342.447 1.903 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000533370116 448395355 /nfs/dbraw/zinc/39/53/55/448395355.db2.gz CVZIAEPFCOPNBL-OAHLLOKOSA-N 2 2 342.447 1.903 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CC[NH2+]C1(C)C)CC2 ZINC000577840190 448398516 /nfs/dbraw/zinc/39/85/16/448398516.db2.gz VXLSXDSUHYNMSU-KRWDZBQOSA-N 2 2 347.459 1.319 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CC[NH2+]C1(C)C)CC2 ZINC000577840190 448398519 /nfs/dbraw/zinc/39/85/19/448398519.db2.gz VXLSXDSUHYNMSU-KRWDZBQOSA-N 2 2 347.459 1.319 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000533447221 448403469 /nfs/dbraw/zinc/40/34/69/448403469.db2.gz IYKSLQHGBFEXQX-OAHLLOKOSA-N 2 2 336.480 1.419 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000533447221 448403475 /nfs/dbraw/zinc/40/34/75/448403475.db2.gz IYKSLQHGBFEXQX-OAHLLOKOSA-N 2 2 336.480 1.419 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000533447221 448403479 /nfs/dbraw/zinc/40/34/79/448403479.db2.gz IYKSLQHGBFEXQX-OAHLLOKOSA-N 2 2 336.480 1.419 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000533447221 448403483 /nfs/dbraw/zinc/40/34/83/448403483.db2.gz IYKSLQHGBFEXQX-OAHLLOKOSA-N 2 2 336.480 1.419 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000493141672 448374480 /nfs/dbraw/zinc/37/44/80/448374480.db2.gz RZVYZXVEKDSUSG-YBJDMEARSA-N 2 2 343.349 1.700 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000493141672 448374486 /nfs/dbraw/zinc/37/44/86/448374486.db2.gz RZVYZXVEKDSUSG-YBJDMEARSA-N 2 2 343.349 1.700 20 0 EDADLP COC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000577942393 448421610 /nfs/dbraw/zinc/42/16/10/448421610.db2.gz YNFOOJAQRJBPNY-GJZGRUSLSA-N 2 2 340.855 1.312 20 0 EDADLP COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000577942393 448421612 /nfs/dbraw/zinc/42/16/12/448421612.db2.gz YNFOOJAQRJBPNY-GJZGRUSLSA-N 2 2 340.855 1.312 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)cn1 ZINC000566249877 448430312 /nfs/dbraw/zinc/43/03/12/448430312.db2.gz RGULHVYQLFKVKJ-QGZVFWFLSA-N 2 2 333.480 1.470 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)cn1 ZINC000566249877 448430316 /nfs/dbraw/zinc/43/03/16/448430316.db2.gz RGULHVYQLFKVKJ-QGZVFWFLSA-N 2 2 333.480 1.470 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000572751756 448457359 /nfs/dbraw/zinc/45/73/59/448457359.db2.gz STIGETKARDKSRI-JKSUJKDBSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000572751756 448457361 /nfs/dbraw/zinc/45/73/61/448457361.db2.gz STIGETKARDKSRI-JKSUJKDBSA-N 2 2 337.851 1.490 20 0 EDADLP c1nc(NCC[C@H]2CCC[NH2+]C2)cc(NCC[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000584303044 448478922 /nfs/dbraw/zinc/47/89/22/448478922.db2.gz WAZCSGFYXRCTKV-IYBDPMFKSA-N 3 2 332.496 2.080 20 0 EDADLP c1nc(NCC[C@@H]2CCC[NH2+]C2)cc(NCC[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000584303044 448478929 /nfs/dbraw/zinc/47/89/29/448478929.db2.gz WAZCSGFYXRCTKV-IYBDPMFKSA-N 3 2 332.496 2.080 20 0 EDADLP Cc1cc(Br)ccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566491310 448492226 /nfs/dbraw/zinc/49/22/26/448492226.db2.gz QMAZZPHAEFQRRW-KBPBESRZSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1cc(Br)ccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566491310 448492232 /nfs/dbraw/zinc/49/22/32/448492232.db2.gz QMAZZPHAEFQRRW-KBPBESRZSA-N 2 2 338.249 1.501 20 0 EDADLP OC[C@@H](C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000516771072 448472077 /nfs/dbraw/zinc/47/20/77/448472077.db2.gz YHMZQDIJWPQVIK-UXHICEINSA-N 2 2 341.455 1.166 20 0 EDADLP OC[C@@H](C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000516771072 448472082 /nfs/dbraw/zinc/47/20/82/448472082.db2.gz YHMZQDIJWPQVIK-UXHICEINSA-N 2 2 341.455 1.166 20 0 EDADLP COCc1cc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000572953607 448503985 /nfs/dbraw/zinc/50/39/85/448503985.db2.gz MMTRKZKHKUHJOC-VBQJREDUSA-N 2 2 340.439 1.532 20 0 EDADLP COCc1cc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000572953607 448503990 /nfs/dbraw/zinc/50/39/90/448503990.db2.gz MMTRKZKHKUHJOC-VBQJREDUSA-N 2 2 340.439 1.532 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000584458926 448533397 /nfs/dbraw/zinc/53/33/97/448533397.db2.gz BMJRFDNZSGNQFU-CYBMUJFWSA-N 2 2 341.253 1.233 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000584458926 448533400 /nfs/dbraw/zinc/53/34/00/448533400.db2.gz BMJRFDNZSGNQFU-CYBMUJFWSA-N 2 2 341.253 1.233 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528425476 448522927 /nfs/dbraw/zinc/52/29/27/448522927.db2.gz QGWVJTWDUSHBIU-MRXNPFEDSA-N 2 2 331.464 1.476 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000573126585 448552130 /nfs/dbraw/zinc/55/21/30/448552130.db2.gz WYAQQKLBDHZTKP-KXBFYZLASA-N 2 2 345.443 1.597 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000573126585 448552134 /nfs/dbraw/zinc/55/21/34/448552134.db2.gz WYAQQKLBDHZTKP-KXBFYZLASA-N 2 2 345.443 1.597 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000578460206 448553003 /nfs/dbraw/zinc/55/30/03/448553003.db2.gz YPPKPUBYKPBLBE-AEFFLSMTSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000578460206 448553009 /nfs/dbraw/zinc/55/30/09/448553009.db2.gz YPPKPUBYKPBLBE-AEFFLSMTSA-N 2 2 331.460 1.345 20 0 EDADLP Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000573355231 448606605 /nfs/dbraw/zinc/60/66/05/448606605.db2.gz HSVBAQBFWJTYQQ-ARFHVFGLSA-N 2 2 345.422 1.858 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000573374868 448610544 /nfs/dbraw/zinc/61/05/44/448610544.db2.gz AQKRMEANGAPQCQ-OAHLLOKOSA-N 2 2 327.432 1.431 20 0 EDADLP C[C@H](NC(=O)[C@H]1CSC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573374959 448611318 /nfs/dbraw/zinc/61/13/18/448611318.db2.gz GLDIGNKDZCGRKS-IMJJTQAJSA-N 2 2 335.473 1.055 20 0 EDADLP C[C@H](NC(=O)[C@H]1CSC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573374959 448611323 /nfs/dbraw/zinc/61/13/23/448611323.db2.gz GLDIGNKDZCGRKS-IMJJTQAJSA-N 2 2 335.473 1.055 20 0 EDADLP NS(=O)(=O)CCCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000584628090 448586594 /nfs/dbraw/zinc/58/65/94/448586594.db2.gz MITNBGWJEWSKJU-UHFFFAOYSA-N 2 2 337.405 1.055 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000573503051 448643654 /nfs/dbraw/zinc/64/36/54/448643654.db2.gz MLTKCHKUOBXDCO-INIZCTEOSA-N 2 2 346.475 1.681 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000573503051 448643657 /nfs/dbraw/zinc/64/36/57/448643657.db2.gz MLTKCHKUOBXDCO-INIZCTEOSA-N 2 2 346.475 1.681 20 0 EDADLP CCOC[C@@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000528718635 448643669 /nfs/dbraw/zinc/64/36/69/448643669.db2.gz HLZASHXPJSZBQY-IRXDYDNUSA-N 2 2 347.459 1.751 20 0 EDADLP CCOC[C@@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000528718635 448643672 /nfs/dbraw/zinc/64/36/72/448643672.db2.gz HLZASHXPJSZBQY-IRXDYDNUSA-N 2 2 347.459 1.751 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000518176474 448651498 /nfs/dbraw/zinc/65/14/98/448651498.db2.gz VPBDHQCRIDVMRU-CRAIPNDOSA-N 3 2 336.524 1.569 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)[NH+]2CCOCC2)s1 ZINC000573594210 448666422 /nfs/dbraw/zinc/66/64/22/448666422.db2.gz ZCZPNXWGSKTYMB-KEYYUXOJSA-N 2 2 335.473 1.298 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000579122953 448721400 /nfs/dbraw/zinc/72/14/00/448721400.db2.gz CRKGJMMEBGUSIF-ZFWWWQNUSA-N 2 2 335.448 1.174 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000579122953 448721403 /nfs/dbraw/zinc/72/14/03/448721403.db2.gz CRKGJMMEBGUSIF-ZFWWWQNUSA-N 2 2 335.448 1.174 20 0 EDADLP O=S1(=O)CCO[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000542840702 448727739 /nfs/dbraw/zinc/72/77/39/448727739.db2.gz GBCYLVJCKAJRQG-MRXNPFEDSA-N 2 2 330.494 1.187 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000518996829 448730767 /nfs/dbraw/zinc/73/07/67/448730767.db2.gz FAOYYEJVGBNVOC-BBRMVZONSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000518996829 448730772 /nfs/dbraw/zinc/73/07/72/448730772.db2.gz FAOYYEJVGBNVOC-BBRMVZONSA-N 2 2 339.867 1.780 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)[C@@H](C[NH3+])C1 ZINC000519120193 448742936 /nfs/dbraw/zinc/74/29/36/448742936.db2.gz YEMKIVBOGKINRR-BHYGNILZSA-N 2 2 346.475 1.517 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)[C@@H](C[NH3+])C1 ZINC000519120193 448742940 /nfs/dbraw/zinc/74/29/40/448742940.db2.gz YEMKIVBOGKINRR-BHYGNILZSA-N 2 2 346.475 1.517 20 0 EDADLP [NH3+][C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1cscn1 ZINC000519140420 448744661 /nfs/dbraw/zinc/74/46/61/448744661.db2.gz CAGCJDSHKMTFCM-OAHLLOKOSA-N 2 2 331.445 1.571 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000573958065 448757860 /nfs/dbraw/zinc/75/78/60/448757860.db2.gz JDYWKIQIGDPMBN-HNNXBMFYSA-N 2 2 349.479 1.623 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000574021086 448771417 /nfs/dbraw/zinc/77/14/17/448771417.db2.gz AMKZMZHCVWFVMG-HOCLYGCPSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000574021086 448771422 /nfs/dbraw/zinc/77/14/22/448771422.db2.gz AMKZMZHCVWFVMG-HOCLYGCPSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000574021086 448771426 /nfs/dbraw/zinc/77/14/26/448771426.db2.gz AMKZMZHCVWFVMG-HOCLYGCPSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]cn1 ZINC000574021086 448771429 /nfs/dbraw/zinc/77/14/29/448771429.db2.gz AMKZMZHCVWFVMG-HOCLYGCPSA-N 2 2 331.464 1.724 20 0 EDADLP COC[C@](C)(O)CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000574071410 448785663 /nfs/dbraw/zinc/78/56/63/448785663.db2.gz GMXJVUXTLJRRDM-CRAIPNDOSA-N 2 2 335.448 1.391 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000519592817 448793236 /nfs/dbraw/zinc/79/32/36/448793236.db2.gz JTJAGNDQJMBBJS-SJLPKXTDSA-N 2 2 346.475 1.283 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000519592817 448793237 /nfs/dbraw/zinc/79/32/37/448793237.db2.gz JTJAGNDQJMBBJS-SJLPKXTDSA-N 2 2 346.475 1.283 20 0 EDADLP CC(C)C(=O)Nc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000579567728 448822642 /nfs/dbraw/zinc/82/26/42/448822642.db2.gz YLARBQZNCCVBCI-OAHLLOKOSA-N 2 2 333.436 1.388 20 0 EDADLP CC(C)C(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000579567728 448822648 /nfs/dbraw/zinc/82/26/48/448822648.db2.gz YLARBQZNCCVBCI-OAHLLOKOSA-N 2 2 333.436 1.388 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC[C@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529369028 448843735 /nfs/dbraw/zinc/84/37/35/448843735.db2.gz WMCOLUQNCLNVOE-CQSZACIVSA-N 2 2 334.468 1.701 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000579691548 448853770 /nfs/dbraw/zinc/85/37/70/448853770.db2.gz OJKHZNRLBYTDOB-RDJZCZTQSA-N 2 2 346.475 1.835 20 0 EDADLP Cc1nc(N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)cc[nH+]1 ZINC000546899004 448854401 /nfs/dbraw/zinc/85/44/01/448854401.db2.gz CHIFPWZOKZTWOP-UHFFFAOYSA-N 2 2 340.431 1.209 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCc2c[nH]c3ccc(F)cc23)[C@H](C[NH3+])C1 ZINC000574548748 448900988 /nfs/dbraw/zinc/90/09/88/448900988.db2.gz COPLONOLGJMIBZ-OAHLLOKOSA-N 2 2 347.438 1.524 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCc2c[nH]c3ccc(F)cc23)[C@H](C[NH3+])C1 ZINC000574548748 448900990 /nfs/dbraw/zinc/90/09/90/448900990.db2.gz COPLONOLGJMIBZ-OAHLLOKOSA-N 2 2 347.438 1.524 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(-c3ccccn3)cc2)[C@H](C[NH3+])C1 ZINC000574545283 448901122 /nfs/dbraw/zinc/90/11/22/448901122.db2.gz STKYSVXKCHVLRG-MRXNPFEDSA-N 2 2 325.416 1.855 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(-c3ccccn3)cc2)[C@H](C[NH3+])C1 ZINC000574545283 448901126 /nfs/dbraw/zinc/90/11/26/448901126.db2.gz STKYSVXKCHVLRG-MRXNPFEDSA-N 2 2 325.416 1.855 20 0 EDADLP CC[N@H+](CC(=O)N1CCN(C)C[C@@H]1C[NH3+])Cc1ccccc1Cl ZINC000574569025 448904111 /nfs/dbraw/zinc/90/41/11/448904111.db2.gz JWNQZVLXPBPCMA-HNNXBMFYSA-N 2 2 338.883 1.263 20 0 EDADLP CC[N@@H+](CC(=O)N1CCN(C)C[C@@H]1C[NH3+])Cc1ccccc1Cl ZINC000574569025 448904116 /nfs/dbraw/zinc/90/41/16/448904116.db2.gz JWNQZVLXPBPCMA-HNNXBMFYSA-N 2 2 338.883 1.263 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C[C@H]1n1cc[nH+]c1 ZINC000568738614 448912971 /nfs/dbraw/zinc/91/29/71/448912971.db2.gz CNYSESLXNDUCDC-JHJVBQTASA-N 2 2 327.379 1.473 20 0 EDADLP COC(=O)CC1([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000520589891 448915021 /nfs/dbraw/zinc/91/50/21/448915021.db2.gz LEYHMVGUCSJSRQ-QGZVFWFLSA-N 2 2 332.444 1.963 20 0 EDADLP COC(=O)CC1([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000520589891 448915026 /nfs/dbraw/zinc/91/50/26/448915026.db2.gz LEYHMVGUCSJSRQ-QGZVFWFLSA-N 2 2 332.444 1.963 20 0 EDADLP CCOc1ccccc1[C@@H](CC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569214721 448980581 /nfs/dbraw/zinc/98/05/81/448980581.db2.gz AQZSRXYDGQJCMR-GOEBONIOSA-N 2 2 334.464 1.821 20 0 EDADLP CCOC(=O)C(C)(C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000520870313 448939165 /nfs/dbraw/zinc/93/91/65/448939165.db2.gz UOGNKSXHNLJIGT-UHFFFAOYSA-N 2 2 341.496 1.450 20 0 EDADLP CCOC(=O)C(C)(C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000520870313 448939172 /nfs/dbraw/zinc/93/91/72/448939172.db2.gz UOGNKSXHNLJIGT-UHFFFAOYSA-N 2 2 341.496 1.450 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH+]1CCCC1 ZINC000582124822 449017961 /nfs/dbraw/zinc/01/79/61/449017961.db2.gz VGTXISSIONBNJX-FVQBIDKESA-N 2 2 334.489 1.484 20 0 EDADLP C[C@@H]1CN(c2ccc(N[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)c[nH+]2)C[C@H](C)O1 ZINC000582175618 449029022 /nfs/dbraw/zinc/02/90/22/449029022.db2.gz QKCIHQKQDGGMSR-BDEJMISXSA-N 2 2 346.475 1.874 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592958051 449080479 /nfs/dbraw/zinc/08/04/79/449080479.db2.gz UWWQWLPXNBCHLK-LBPRGKRZSA-N 2 2 328.420 1.110 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000575340369 449082447 /nfs/dbraw/zinc/08/24/47/449082447.db2.gz SJJVHYBKNPPQMJ-UHFFFAOYSA-N 2 2 349.479 1.064 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000575340369 449082452 /nfs/dbraw/zinc/08/24/52/449082452.db2.gz SJJVHYBKNPPQMJ-UHFFFAOYSA-N 2 2 349.479 1.064 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000575353599 449083826 /nfs/dbraw/zinc/08/38/26/449083826.db2.gz HRHNEQFLGQVBGA-GOEBONIOSA-N 2 2 345.422 1.752 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000521997319 449037735 /nfs/dbraw/zinc/03/77/35/449037735.db2.gz HCYDBRZVXJBATH-CYBMUJFWSA-N 2 2 340.518 1.273 20 0 EDADLP CO[C@@H]1CCOc2c(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cccc21 ZINC000575153615 449051069 /nfs/dbraw/zinc/05/10/69/449051069.db2.gz ORVKTEVZMSJESB-IUODEOHRSA-N 2 2 334.420 1.263 20 0 EDADLP CO[C@@H]1CCOc2c(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cccc21 ZINC000575153615 449051074 /nfs/dbraw/zinc/05/10/74/449051074.db2.gz ORVKTEVZMSJESB-IUODEOHRSA-N 2 2 334.420 1.263 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000575206264 449062010 /nfs/dbraw/zinc/06/20/10/449062010.db2.gz XMBPBHYCCRSCDD-RVKKMQEKSA-N 2 2 349.500 1.522 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000575206264 449062016 /nfs/dbraw/zinc/06/20/16/449062016.db2.gz XMBPBHYCCRSCDD-RVKKMQEKSA-N 2 2 349.500 1.522 20 0 EDADLP CS[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1[NH+]1CCCC1 ZINC000593600577 449099816 /nfs/dbraw/zinc/09/98/16/449099816.db2.gz BTYQDYCRCNCLDL-CVEARBPZSA-N 2 2 348.516 1.800 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)cc2n1C ZINC000548845056 449103738 /nfs/dbraw/zinc/10/37/38/449103738.db2.gz KSDMYOTWKSHQNJ-UHFFFAOYSA-N 2 2 343.475 1.638 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)cc2n1C ZINC000548845056 449103744 /nfs/dbraw/zinc/10/37/44/449103744.db2.gz KSDMYOTWKSHQNJ-UHFFFAOYSA-N 2 2 343.475 1.638 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NCC3(O)CC[NH+](C(C)C)CC3)cc2n1C ZINC000530300800 449107366 /nfs/dbraw/zinc/10/73/66/449107366.db2.gz VURVZQZGJFMLNV-UHFFFAOYSA-N 2 2 344.459 1.847 20 0 EDADLP COC(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000590241945 449119471 /nfs/dbraw/zinc/11/94/71/449119471.db2.gz GNFIAHPASPFDAM-AWEZNQCLSA-N 2 2 348.447 1.042 20 0 EDADLP COC(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000590241945 449119474 /nfs/dbraw/zinc/11/94/74/449119474.db2.gz GNFIAHPASPFDAM-AWEZNQCLSA-N 2 2 348.447 1.042 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](c4ccco4)C3)C2)CC1 ZINC000604209698 449194027 /nfs/dbraw/zinc/19/40/27/449194027.db2.gz VUYCFGMWZLYDIX-HZPDHXFCSA-N 2 2 346.475 1.947 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](c4ccco4)C3)C2)CC1 ZINC000604209698 449194030 /nfs/dbraw/zinc/19/40/30/449194030.db2.gz VUYCFGMWZLYDIX-HZPDHXFCSA-N 2 2 346.475 1.947 20 0 EDADLP CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000593902399 449273309 /nfs/dbraw/zinc/27/33/09/449273309.db2.gz SHABQMZSJFAYHU-JKSUJKDBSA-N 2 2 335.448 1.465 20 0 EDADLP C[NH+](C)CCCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000604631221 449265555 /nfs/dbraw/zinc/26/55/55/449265555.db2.gz QDKSAEVAICKURZ-AWEZNQCLSA-N 2 2 328.407 1.818 20 0 EDADLP Cc1cc(C)cc(OCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000590790812 449295932 /nfs/dbraw/zinc/29/59/32/449295932.db2.gz MITIWUSMHSRUCR-UHFFFAOYSA-N 2 2 345.487 1.922 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000593965025 449307137 /nfs/dbraw/zinc/30/71/37/449307137.db2.gz UCUHBNJFEWPECZ-AWEZNQCLSA-N 2 2 326.404 1.363 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590851511 449319723 /nfs/dbraw/zinc/31/97/23/449319723.db2.gz ORQFDWQXKXKETF-JKSUJKDBSA-N 2 2 343.431 1.075 20 0 EDADLP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc2ccccc2c1 ZINC000593905766 449275732 /nfs/dbraw/zinc/27/57/32/449275732.db2.gz AJSPRARVVDSQRG-DLBZAZTESA-N 2 2 343.427 1.449 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2[nH+]ccc3c(N)cccc32)CC1 ZINC000596077364 449351266 /nfs/dbraw/zinc/35/12/66/449351266.db2.gz VDSWMGBPBXUNPX-UHFFFAOYSA-N 2 2 342.443 2.504 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613996843 449411088 /nfs/dbraw/zinc/41/10/88/449411088.db2.gz VBLDSRSVCAGDQC-GMTAPVOTSA-N 2 2 339.342 1.486 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000605878916 449417012 /nfs/dbraw/zinc/41/70/12/449417012.db2.gz IATCNPPAQMIOCF-MRXNPFEDSA-N 2 2 332.448 1.591 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000605878916 449417020 /nfs/dbraw/zinc/41/70/20/449417020.db2.gz IATCNPPAQMIOCF-MRXNPFEDSA-N 2 2 332.448 1.591 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc(C4CC4)s3)C2)CC1 ZINC000602200854 449429632 /nfs/dbraw/zinc/42/96/32/449429632.db2.gz PBVRHTCPQYBJCI-CYBMUJFWSA-N 2 2 334.489 1.919 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc(C4CC4)s3)C2)CC1 ZINC000602200854 449429636 /nfs/dbraw/zinc/42/96/36/449429636.db2.gz PBVRHTCPQYBJCI-CYBMUJFWSA-N 2 2 334.489 1.919 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750421 449533088 /nfs/dbraw/zinc/53/30/88/449533088.db2.gz WBXZNLQLNRWSTR-ZMYBRWDISA-N 2 2 344.459 1.332 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750421 449533094 /nfs/dbraw/zinc/53/30/94/449533094.db2.gz WBXZNLQLNRWSTR-ZMYBRWDISA-N 2 2 344.459 1.332 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598629701 449506810 /nfs/dbraw/zinc/50/68/10/449506810.db2.gz CKYBIOIPTYVEPD-HNNXBMFYSA-N 2 2 349.475 1.811 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598629701 449506816 /nfs/dbraw/zinc/50/68/16/449506816.db2.gz CKYBIOIPTYVEPD-HNNXBMFYSA-N 2 2 349.475 1.811 20 0 EDADLP O=C(C[N@@H+](CCCO)C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000607153131 449580886 /nfs/dbraw/zinc/58/08/86/449580886.db2.gz VREOWBUZAYGKMT-UHFFFAOYSA-N 2 2 331.460 1.178 20 0 EDADLP O=C(C[N@H+](CCCO)C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000607153131 449580892 /nfs/dbraw/zinc/58/08/92/449580892.db2.gz VREOWBUZAYGKMT-UHFFFAOYSA-N 2 2 331.460 1.178 20 0 EDADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)CCC2 ZINC000594496270 449557386 /nfs/dbraw/zinc/55/73/86/449557386.db2.gz YGZBZYVMAQIMNJ-FUHWJXTLSA-N 2 2 331.460 1.686 20 0 EDADLP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)CCC2 ZINC000594496270 449557389 /nfs/dbraw/zinc/55/73/89/449557389.db2.gz YGZBZYVMAQIMNJ-FUHWJXTLSA-N 2 2 331.460 1.686 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccccc1 ZINC000612228227 449608563 /nfs/dbraw/zinc/60/85/63/449608563.db2.gz FIBUSWGKNZPTPQ-INIZCTEOSA-N 2 2 327.432 1.857 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000612228227 449608569 /nfs/dbraw/zinc/60/85/69/449608569.db2.gz FIBUSWGKNZPTPQ-INIZCTEOSA-N 2 2 327.432 1.857 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)[nH]1 ZINC000602483261 449625349 /nfs/dbraw/zinc/62/53/49/449625349.db2.gz FUSXGRGDFPXANJ-USXIJHARSA-N 2 2 335.448 1.875 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)[nH]1 ZINC000602483261 449625351 /nfs/dbraw/zinc/62/53/51/449625351.db2.gz FUSXGRGDFPXANJ-USXIJHARSA-N 2 2 335.448 1.875 20 0 EDADLP Cn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C2CCCCC2)n1 ZINC000594738627 449658952 /nfs/dbraw/zinc/65/89/52/449658952.db2.gz IRBPISWGXHRIOJ-HOTGVXAUSA-N 2 2 331.464 1.212 20 0 EDADLP Cn1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C2CCCCC2)n1 ZINC000594738627 449658958 /nfs/dbraw/zinc/65/89/58/449658958.db2.gz IRBPISWGXHRIOJ-HOTGVXAUSA-N 2 2 331.464 1.212 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2O1 ZINC000612400512 449679922 /nfs/dbraw/zinc/67/99/22/449679922.db2.gz NMIGQRMFFAKXAL-KGLIPLIRSA-N 2 2 340.427 1.870 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c2ccccc2O1 ZINC000612400512 449679924 /nfs/dbraw/zinc/67/99/24/449679924.db2.gz NMIGQRMFFAKXAL-KGLIPLIRSA-N 2 2 340.427 1.870 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)[nH]c1C ZINC000602643731 449724023 /nfs/dbraw/zinc/72/40/23/449724023.db2.gz IULYVWBEYSJFAH-UHFFFAOYSA-N 2 2 344.415 1.836 20 0 EDADLP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1C ZINC000602657663 449733892 /nfs/dbraw/zinc/73/38/92/449733892.db2.gz QRASIJQTUVFNPA-MRXNPFEDSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1C ZINC000602657663 449733896 /nfs/dbraw/zinc/73/38/96/449733896.db2.gz QRASIJQTUVFNPA-MRXNPFEDSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000602657663 449733900 /nfs/dbraw/zinc/73/39/00/449733900.db2.gz QRASIJQTUVFNPA-MRXNPFEDSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000602657663 449733904 /nfs/dbraw/zinc/73/39/04/449733904.db2.gz QRASIJQTUVFNPA-MRXNPFEDSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602751203 449786571 /nfs/dbraw/zinc/78/65/71/449786571.db2.gz UMLJVIMDFLPYPF-WBVHZDCISA-N 2 2 345.443 1.233 20 0 EDADLP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602751203 449786575 /nfs/dbraw/zinc/78/65/75/449786575.db2.gz UMLJVIMDFLPYPF-WBVHZDCISA-N 2 2 345.443 1.233 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n1C ZINC000602710503 449762521 /nfs/dbraw/zinc/76/25/21/449762521.db2.gz LXHSDQHXSXYSGC-HNNXBMFYSA-N 2 2 335.448 1.498 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n1C ZINC000602710503 449762527 /nfs/dbraw/zinc/76/25/27/449762527.db2.gz LXHSDQHXSXYSGC-HNNXBMFYSA-N 2 2 335.448 1.498 20 0 EDADLP CCc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000608315915 449804454 /nfs/dbraw/zinc/80/44/54/449804454.db2.gz YXCYKIDSFHAEPW-UHFFFAOYSA-N 2 2 349.479 2.309 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000617765706 449826109 /nfs/dbraw/zinc/82/61/09/449826109.db2.gz MUOQUCSYGLJXSS-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000617765706 449826117 /nfs/dbraw/zinc/82/61/17/449826117.db2.gz MUOQUCSYGLJXSS-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP Cc1nnc(-c2ccccc2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000617765484 449826708 /nfs/dbraw/zinc/82/67/08/449826708.db2.gz CLWHESULNOGGTK-UHFFFAOYSA-N 2 2 345.447 1.658 20 0 EDADLP Cc1nnc(-c2ccccc2C(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000617765484 449826713 /nfs/dbraw/zinc/82/67/13/449826713.db2.gz CLWHESULNOGGTK-UHFFFAOYSA-N 2 2 345.447 1.658 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000617765117 449826745 /nfs/dbraw/zinc/82/67/45/449826745.db2.gz UOGOPNJQODHGHX-KRWDZBQOSA-N 2 2 333.476 1.812 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000617765117 449826752 /nfs/dbraw/zinc/82/67/52/449826752.db2.gz UOGOPNJQODHGHX-KRWDZBQOSA-N 2 2 333.476 1.812 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cccc(F)c1F ZINC000617767214 449830940 /nfs/dbraw/zinc/83/09/40/449830940.db2.gz KVWZEGRSXAQGCH-UHFFFAOYSA-N 2 2 327.419 1.897 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cccc(F)c1F ZINC000617767214 449830947 /nfs/dbraw/zinc/83/09/47/449830947.db2.gz KVWZEGRSXAQGCH-UHFFFAOYSA-N 2 2 327.419 1.897 20 0 EDADLP COC(=O)[C@@H](c1cccc(OC)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000601324364 449832278 /nfs/dbraw/zinc/83/22/78/449832278.db2.gz VZGQXVUMQNQZTJ-QGZVFWFLSA-N 2 2 336.432 1.739 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601328591 449837188 /nfs/dbraw/zinc/83/71/88/449837188.db2.gz NSGLGEMXMUMUGP-JKSUJKDBSA-N 2 2 335.452 1.340 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601328591 449837192 /nfs/dbraw/zinc/83/71/92/449837192.db2.gz NSGLGEMXMUMUGP-JKSUJKDBSA-N 2 2 335.452 1.340 20 0 EDADLP C[C@@H](CSCCF)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000595007861 449840259 /nfs/dbraw/zinc/84/02/59/449840259.db2.gz QGSNDTBXSDUFRC-HNNXBMFYSA-N 2 2 341.500 1.670 20 0 EDADLP COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878525 449887229 /nfs/dbraw/zinc/88/72/29/449887229.db2.gz YBFHIWGMYALDAI-GOSISDBHSA-N 2 2 336.432 1.241 20 0 EDADLP COC(=O)c1ccccc1OCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878525 449887235 /nfs/dbraw/zinc/88/72/35/449887235.db2.gz YBFHIWGMYALDAI-GOSISDBHSA-N 2 2 336.432 1.241 20 0 EDADLP C[NH+](C)CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000608614993 449887469 /nfs/dbraw/zinc/88/74/69/449887469.db2.gz FRXIAPZDKXFAES-UHFFFAOYSA-N 3 2 339.528 1.188 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000597257040 449900418 /nfs/dbraw/zinc/90/04/18/449900418.db2.gz PVHQGCAGHKCQSY-OAHLLOKOSA-N 2 2 334.464 1.808 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000597257040 449900422 /nfs/dbraw/zinc/90/04/22/449900422.db2.gz PVHQGCAGHKCQSY-OAHLLOKOSA-N 2 2 334.464 1.808 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000608656811 449898395 /nfs/dbraw/zinc/89/83/95/449898395.db2.gz CIBAQCCSDKOELE-GOSISDBHSA-N 2 2 326.444 1.658 20 0 EDADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)NC1CCN(c2cccc[nH+]2)CC1 ZINC000612968267 449963021 /nfs/dbraw/zinc/96/30/21/449963021.db2.gz XFHXRZKGYIUNBP-OAHLLOKOSA-N 2 2 329.448 1.492 20 0 EDADLP CO[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000613006247 449979563 /nfs/dbraw/zinc/97/95/63/449979563.db2.gz SOZDRWNQTVLNDM-HVVXOQGOSA-N 2 2 335.492 1.571 20 0 EDADLP CO[C@@H]1CC[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000613006247 449979570 /nfs/dbraw/zinc/97/95/70/449979570.db2.gz SOZDRWNQTVLNDM-HVVXOQGOSA-N 2 2 335.492 1.571 20 0 EDADLP CN(C(=O)c1c[nH]c2ncccc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601475205 449997971 /nfs/dbraw/zinc/99/79/71/449997971.db2.gz XUYSIAWSDYMXQW-OAHLLOKOSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1c[nH]c2ncccc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601475205 449997977 /nfs/dbraw/zinc/99/79/77/449997977.db2.gz XUYSIAWSDYMXQW-OAHLLOKOSA-N 2 2 341.459 1.803 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000595300114 450014405 /nfs/dbraw/zinc/01/44/05/450014405.db2.gz NASLEYNUVUJNMR-CABCVRRESA-N 2 2 334.420 1.074 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000595300114 450014407 /nfs/dbraw/zinc/01/44/07/450014407.db2.gz NASLEYNUVUJNMR-CABCVRRESA-N 2 2 334.420 1.074 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583962 450084602 /nfs/dbraw/zinc/08/46/02/450084602.db2.gz TYFBFSQLNRGNRH-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583962 450084608 /nfs/dbraw/zinc/08/46/08/450084608.db2.gz TYFBFSQLNRGNRH-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583962 450084616 /nfs/dbraw/zinc/08/46/16/450084616.db2.gz TYFBFSQLNRGNRH-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583962 450084621 /nfs/dbraw/zinc/08/46/21/450084621.db2.gz TYFBFSQLNRGNRH-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)CC1 ZINC000613516868 450209229 /nfs/dbraw/zinc/20/92/29/450209229.db2.gz VNTACOGOHLGANT-ZACQAIPSSA-N 2 2 345.491 1.120 20 0 EDADLP Cc1ccccc1OCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000618401225 450194790 /nfs/dbraw/zinc/19/47/90/450194790.db2.gz AMWVADHTBKKTDH-UHFFFAOYSA-N 2 2 333.476 1.858 20 0 EDADLP Cc1ccccc1OCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000618401225 450194795 /nfs/dbraw/zinc/19/47/95/450194795.db2.gz AMWVADHTBKKTDH-UHFFFAOYSA-N 2 2 333.476 1.858 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000623014913 450366538 /nfs/dbraw/zinc/36/65/38/450366538.db2.gz BPRCKAADTTVSFW-UHFFFAOYSA-N 2 2 327.432 1.928 20 0 EDADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)CC1(C)C ZINC000623470563 450526655 /nfs/dbraw/zinc/52/66/55/450526655.db2.gz QATVXRHPBCFQNO-OLZOCXBDSA-N 2 2 346.518 1.345 20 0 EDADLP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)CC1(C)C ZINC000623470563 450526657 /nfs/dbraw/zinc/52/66/57/450526657.db2.gz QATVXRHPBCFQNO-OLZOCXBDSA-N 2 2 346.518 1.345 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000623618142 450552254 /nfs/dbraw/zinc/55/22/54/450552254.db2.gz FTTUQEOBIYMPFT-KRWDZBQOSA-N 2 2 345.422 1.441 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000623619084 450553078 /nfs/dbraw/zinc/55/30/78/450553078.db2.gz QUCMZBRYTHOTMQ-INIZCTEOSA-N 2 2 331.464 1.111 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000623619084 450553079 /nfs/dbraw/zinc/55/30/79/450553079.db2.gz QUCMZBRYTHOTMQ-INIZCTEOSA-N 2 2 331.464 1.111 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000626089041 450573184 /nfs/dbraw/zinc/57/31/84/450573184.db2.gz YJRFZHODKPJUKN-HDICACEKSA-N 2 2 337.508 1.426 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000626089041 450573190 /nfs/dbraw/zinc/57/31/90/450573190.db2.gz YJRFZHODKPJUKN-HDICACEKSA-N 2 2 337.508 1.426 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](OC)[C@@H]2CCOC2)CC1 ZINC000626089588 450573496 /nfs/dbraw/zinc/57/34/96/450573496.db2.gz WNKUPDMCVBAUDV-SJORKVTESA-N 2 2 326.481 1.615 20 0 EDADLP CCC(O)(CC)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000626111588 450577260 /nfs/dbraw/zinc/57/72/60/450577260.db2.gz RWFZEYARFHGXNT-UHFFFAOYSA-N 2 2 337.464 1.407 20 0 EDADLP CCC(O)(CC)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000626111588 450577261 /nfs/dbraw/zinc/57/72/61/450577261.db2.gz RWFZEYARFHGXNT-UHFFFAOYSA-N 2 2 337.464 1.407 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000623773511 450580906 /nfs/dbraw/zinc/58/09/06/450580906.db2.gz KZFZHJFEPCDVNS-HNNXBMFYSA-N 2 2 327.432 2.040 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000623773511 450580910 /nfs/dbraw/zinc/58/09/10/450580910.db2.gz KZFZHJFEPCDVNS-HNNXBMFYSA-N 2 2 327.432 2.040 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000627309752 450638012 /nfs/dbraw/zinc/63/80/12/450638012.db2.gz ZETNWFOXCGZXLA-CVEARBPZSA-N 2 2 346.475 1.276 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000627309752 450638029 /nfs/dbraw/zinc/63/80/29/450638029.db2.gz ZETNWFOXCGZXLA-CVEARBPZSA-N 2 2 346.475 1.276 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629389123 450642067 /nfs/dbraw/zinc/64/20/67/450642067.db2.gz UKQCNWOFEXGXJR-UHFFFAOYSA-N 2 2 336.358 1.267 20 0 EDADLP C[C@H](Nc1nc2ccccc2n2c[nH+]cc12)[C@H](C)[NH+]1CCOCC1 ZINC000623941354 450644133 /nfs/dbraw/zinc/64/41/33/450644133.db2.gz PMKYTWWAXVCPFE-KBPBESRZSA-N 2 2 325.416 2.404 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000635115385 450660938 /nfs/dbraw/zinc/66/09/38/450660938.db2.gz FSCGTLGPYCQVAA-LJQANCHMSA-N 2 2 345.487 1.484 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000635115385 450660942 /nfs/dbraw/zinc/66/09/42/450660942.db2.gz FSCGTLGPYCQVAA-LJQANCHMSA-N 2 2 345.487 1.484 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629435481 450677986 /nfs/dbraw/zinc/67/79/86/450677986.db2.gz KPWWHBNWCWYWQH-RDJZCZTQSA-N 2 2 348.491 1.565 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629435481 450677992 /nfs/dbraw/zinc/67/79/92/450677992.db2.gz KPWWHBNWCWYWQH-RDJZCZTQSA-N 2 2 348.491 1.565 20 0 EDADLP CN(C)[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000629554788 450733170 /nfs/dbraw/zinc/73/31/70/450733170.db2.gz BMNFJAIZLOVYFG-YOEHRIQHSA-N 2 2 325.884 1.989 20 0 EDADLP C[NH+](C)[C@@H](CNC[C@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000629554788 450733174 /nfs/dbraw/zinc/73/31/74/450733174.db2.gz BMNFJAIZLOVYFG-YOEHRIQHSA-N 2 2 325.884 1.989 20 0 EDADLP COCc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)o1 ZINC000629654483 450772389 /nfs/dbraw/zinc/77/23/89/450772389.db2.gz PZNZFVWEMGSVJT-UHFFFAOYSA-N 2 2 331.420 1.500 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC(C[NH+]3CCOCC3)CC1)CC2 ZINC000624194537 450743480 /nfs/dbraw/zinc/74/34/80/450743480.db2.gz KJDCOTWSALTQDT-KRWDZBQOSA-N 2 2 346.475 1.325 20 0 EDADLP O[C@H](CNC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000629575437 450744647 /nfs/dbraw/zinc/74/46/47/450744647.db2.gz NLTJZOBBVLASDL-RTBURBONSA-N 2 2 349.544 1.650 20 0 EDADLP O[C@H](CNC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000629575437 450744651 /nfs/dbraw/zinc/74/46/51/450744651.db2.gz NLTJZOBBVLASDL-RTBURBONSA-N 2 2 349.544 1.650 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000635222705 450765661 /nfs/dbraw/zinc/76/56/61/450765661.db2.gz FLRGJFMXLLYDAI-UHFFFAOYSA-N 2 2 346.475 1.656 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)CC2 ZINC000626582599 450810883 /nfs/dbraw/zinc/81/08/83/450810883.db2.gz GPVRNMLYIVMUOK-HUUCEWRRSA-N 2 2 334.464 1.058 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)CC2 ZINC000626582599 450810890 /nfs/dbraw/zinc/81/08/90/450810890.db2.gz GPVRNMLYIVMUOK-HUUCEWRRSA-N 2 2 334.464 1.058 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000633353161 450814744 /nfs/dbraw/zinc/81/47/44/450814744.db2.gz XDXUXCZJSQSOEE-UHFFFAOYSA-N 2 2 342.447 1.858 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000624380318 450821260 /nfs/dbraw/zinc/82/12/60/450821260.db2.gz BJWYMTMSGNXVEC-HNNXBMFYSA-N 2 2 348.495 2.104 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000624380318 450821262 /nfs/dbraw/zinc/82/12/62/450821262.db2.gz BJWYMTMSGNXVEC-HNNXBMFYSA-N 2 2 348.495 2.104 20 0 EDADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000621690732 450835215 /nfs/dbraw/zinc/83/52/15/450835215.db2.gz XKSPTSQLUQYRNY-PKOBYXMFSA-N 2 2 329.444 1.472 20 0 EDADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866412 450835949 /nfs/dbraw/zinc/83/59/49/450835949.db2.gz PRLHTNUYTQHXBU-CQSZACIVSA-N 2 2 337.439 1.219 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1)[C@H]1CCC[NH2+]1 ZINC000631822674 450798290 /nfs/dbraw/zinc/79/82/90/450798290.db2.gz KWHAULIPOOMJQM-HUUCEWRRSA-N 2 2 347.463 1.102 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)C1)[C@H]1CCC[NH2+]1 ZINC000631822674 450798297 /nfs/dbraw/zinc/79/82/97/450798297.db2.gz KWHAULIPOOMJQM-HUUCEWRRSA-N 2 2 347.463 1.102 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1OC ZINC000631833100 450803115 /nfs/dbraw/zinc/80/31/15/450803115.db2.gz SLGALIHHCKRGLK-GOEBONIOSA-N 2 2 349.475 1.912 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1OC ZINC000631833100 450803121 /nfs/dbraw/zinc/80/31/21/450803121.db2.gz SLGALIHHCKRGLK-GOEBONIOSA-N 2 2 349.475 1.912 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635276963 450806227 /nfs/dbraw/zinc/80/62/27/450806227.db2.gz DYKLEYUANFPPLK-QGZVFWFLSA-N 2 2 335.496 1.614 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCC1(c2ccccc2)CC1 ZINC000631886071 450847335 /nfs/dbraw/zinc/84/73/35/450847335.db2.gz FANSBBPFPAJVDP-FUHWJXTLSA-N 2 2 327.472 1.908 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCC1(c2ccccc2)CC1 ZINC000631886071 450847340 /nfs/dbraw/zinc/84/73/40/450847340.db2.gz FANSBBPFPAJVDP-FUHWJXTLSA-N 2 2 327.472 1.908 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000631888522 450850397 /nfs/dbraw/zinc/85/03/97/450850397.db2.gz WTARJXBEOGPGPA-VYDXJSESSA-N 2 2 329.444 1.874 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1=O ZINC000631888522 450850400 /nfs/dbraw/zinc/85/04/00/450850400.db2.gz WTARJXBEOGPGPA-VYDXJSESSA-N 2 2 329.444 1.874 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCCCC[NH+]1CCOCC1 ZINC000635332596 450857891 /nfs/dbraw/zinc/85/78/91/450857891.db2.gz COPQNFYPYTXGQY-ZDUSSCGKSA-N 2 2 348.369 1.605 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2occc2c1 ZINC000627639457 450860886 /nfs/dbraw/zinc/86/08/86/450860886.db2.gz VUCONIYABDBHJI-UHFFFAOYSA-N 2 2 346.431 1.371 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2occc2c1 ZINC000627639457 450860892 /nfs/dbraw/zinc/86/08/92/450860892.db2.gz VUCONIYABDBHJI-UHFFFAOYSA-N 2 2 346.431 1.371 20 0 EDADLP O=C1N[C@@H]2C[N@H+](Cc3cncc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000621776004 450863501 /nfs/dbraw/zinc/86/35/01/450863501.db2.gz AAXIYSJUIAYCKX-HZPDHXFCSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](Cc3cncc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000621776004 450863506 /nfs/dbraw/zinc/86/35/06/450863506.db2.gz AAXIYSJUIAYCKX-HZPDHXFCSA-N 2 2 349.866 1.455 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000629913085 450881496 /nfs/dbraw/zinc/88/14/96/450881496.db2.gz FRRUNKMFVFIZOD-LSDHHAIUSA-N 2 2 325.840 1.126 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)c1cccc(Cl)c1 ZINC000629913085 450881500 /nfs/dbraw/zinc/88/15/00/450881500.db2.gz FRRUNKMFVFIZOD-LSDHHAIUSA-N 2 2 325.840 1.126 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739228 450910480 /nfs/dbraw/zinc/91/04/80/450910480.db2.gz LUWYYSIVXKJPLG-HNNXBMFYSA-N 2 2 332.448 1.159 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627739228 450910489 /nfs/dbraw/zinc/91/04/89/450910489.db2.gz LUWYYSIVXKJPLG-HNNXBMFYSA-N 2 2 332.448 1.159 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000624617069 450926670 /nfs/dbraw/zinc/92/66/70/450926670.db2.gz VQUKMEJRJXCJQI-GOSISDBHSA-N 2 2 345.491 1.641 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000624617069 450926672 /nfs/dbraw/zinc/92/66/72/450926672.db2.gz VQUKMEJRJXCJQI-GOSISDBHSA-N 2 2 345.491 1.641 20 0 EDADLP CN(C(=O)c1c[nH]c2cccnc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621915337 450935560 /nfs/dbraw/zinc/93/55/60/450935560.db2.gz ZIJWMHMTSFZQLA-OAHLLOKOSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1c[nH]c2cccnc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621915337 450935565 /nfs/dbraw/zinc/93/55/65/450935565.db2.gz ZIJWMHMTSFZQLA-OAHLLOKOSA-N 2 2 341.459 1.803 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cnc(NC)cn3)CC2)CC1 ZINC000627794930 450941729 /nfs/dbraw/zinc/94/17/29/450941729.db2.gz YHXSFBVXWHSFPB-UHFFFAOYSA-N 2 2 346.479 1.151 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cnc(NC)cn3)CC2)CC1 ZINC000627794930 450941732 /nfs/dbraw/zinc/94/17/32/450941732.db2.gz YHXSFBVXWHSFPB-UHFFFAOYSA-N 2 2 346.479 1.151 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cn2cc[nH+]c12 ZINC000626846618 450953822 /nfs/dbraw/zinc/95/38/22/450953822.db2.gz HXGYKPAYQRSQKI-CQSZACIVSA-N 2 2 329.404 1.038 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC[C@H](C)[NH+](C)C2CC2)cc1 ZINC000635492066 450987637 /nfs/dbraw/zinc/98/76/37/450987637.db2.gz SULOFTCYXMCHJI-KBXCAEBGSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC[C@H](C)[NH+](C)C2CC2)cc1 ZINC000635492066 450987642 /nfs/dbraw/zinc/98/76/42/450987642.db2.gz SULOFTCYXMCHJI-KBXCAEBGSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000635492066 450987647 /nfs/dbraw/zinc/98/76/47/450987647.db2.gz SULOFTCYXMCHJI-KBXCAEBGSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000635492066 450987657 /nfs/dbraw/zinc/98/76/57/450987657.db2.gz SULOFTCYXMCHJI-KBXCAEBGSA-N 2 2 331.460 1.868 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624785365 450998525 /nfs/dbraw/zinc/99/85/25/450998525.db2.gz HSEBRVJQSJBNDT-IAGOWNOFSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624785365 450998526 /nfs/dbraw/zinc/99/85/26/450998526.db2.gz HSEBRVJQSJBNDT-IAGOWNOFSA-N 2 2 336.480 1.119 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NC2(C[NH3+])CCOCC2)c[nH+]1 ZINC000626931501 451014707 /nfs/dbraw/zinc/01/47/07/451014707.db2.gz GZLMYNGGCDPYIJ-UHFFFAOYSA-N 2 2 335.452 1.235 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCOCC2)c1 ZINC000626934448 451016625 /nfs/dbraw/zinc/01/66/25/451016625.db2.gz ZNYWORGUNKVWNF-JQHSSLGASA-N 2 2 346.475 1.418 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C[NH2+]1 ZINC000626937784 451019343 /nfs/dbraw/zinc/01/93/43/451019343.db2.gz YUEPDDRJQAUJSG-NJAFHUGGSA-N 2 2 346.475 1.500 20 0 EDADLP CC(C)(CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000635527818 451024344 /nfs/dbraw/zinc/02/43/44/451024344.db2.gz WBRUOVPXTOWVKA-QGZVFWFLSA-N 2 2 348.491 1.357 20 0 EDADLP C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632090744 451028975 /nfs/dbraw/zinc/02/89/75/451028975.db2.gz PAJBDODFFYVNRG-UHFFFAOYSA-N 2 2 329.466 1.067 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000633865061 451052388 /nfs/dbraw/zinc/05/23/88/451052388.db2.gz BHARWPJTAUKPST-CVEARBPZSA-N 3 2 339.528 1.183 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000633865061 451052393 /nfs/dbraw/zinc/05/23/93/451052393.db2.gz BHARWPJTAUKPST-CVEARBPZSA-N 3 2 339.528 1.183 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000633865061 451052396 /nfs/dbraw/zinc/05/23/96/451052396.db2.gz BHARWPJTAUKPST-CVEARBPZSA-N 3 2 339.528 1.183 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000633865061 451052402 /nfs/dbraw/zinc/05/24/02/451052402.db2.gz BHARWPJTAUKPST-CVEARBPZSA-N 3 2 339.528 1.183 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635559190 451058499 /nfs/dbraw/zinc/05/84/99/451058499.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 3 2 336.524 1.488 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635559190 451058502 /nfs/dbraw/zinc/05/85/02/451058502.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 3 2 336.524 1.488 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635559190 451058508 /nfs/dbraw/zinc/05/85/08/451058508.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 3 2 336.524 1.488 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635559190 451058512 /nfs/dbraw/zinc/05/85/12/451058512.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 3 2 336.524 1.488 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000635562931 451060580 /nfs/dbraw/zinc/06/05/80/451060580.db2.gz RVQTWJKVADOQHC-LJQANCHMSA-N 2 2 343.471 1.966 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000635562931 451060585 /nfs/dbraw/zinc/06/05/85/451060585.db2.gz RVQTWJKVADOQHC-LJQANCHMSA-N 2 2 343.471 1.966 20 0 EDADLP CCO[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000624937515 451070841 /nfs/dbraw/zinc/07/08/41/451070841.db2.gz YEUJNDMHVUISBM-QGZVFWFLSA-N 2 2 325.497 1.722 20 0 EDADLP Cc1cc(NCCNC(=O)NCCC[C@H]2CCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000627099915 451123098 /nfs/dbraw/zinc/12/30/98/451123098.db2.gz ATXBQSJWLVMFPM-OAHLLOKOSA-N 2 2 348.495 2.152 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632218994 451123500 /nfs/dbraw/zinc/12/35/00/451123500.db2.gz VTPOXAGHOXCROV-CQSZACIVSA-N 2 2 345.534 1.708 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C2)cc(OC)c1 ZINC000635669871 451155065 /nfs/dbraw/zinc/15/50/65/451155065.db2.gz IHDYDUAAVZWOKO-HIFRSBDPSA-N 2 2 335.448 1.344 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C2)cc(OC)c1 ZINC000635669871 451155070 /nfs/dbraw/zinc/15/50/70/451155070.db2.gz IHDYDUAAVZWOKO-HIFRSBDPSA-N 2 2 335.448 1.344 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628125281 451149448 /nfs/dbraw/zinc/14/94/48/451149448.db2.gz SFBQMCJQKCXASC-UHFFFAOYSA-N 2 2 342.443 1.668 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[N@@H+]1C1CC1 ZINC000635665666 451150966 /nfs/dbraw/zinc/15/09/66/451150966.db2.gz YZXUOJSUAWDSBR-OLZOCXBDSA-N 2 2 326.400 1.933 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[N@H+]1C1CC1 ZINC000635665666 451150972 /nfs/dbraw/zinc/15/09/72/451150972.db2.gz YZXUOJSUAWDSBR-OLZOCXBDSA-N 2 2 326.400 1.933 20 0 EDADLP [NH3+]C1(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCOCC1 ZINC000627156104 451152598 /nfs/dbraw/zinc/15/25/98/451152598.db2.gz SQMLESSDTDYXPF-UHFFFAOYSA-N 2 2 338.477 1.083 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000625097773 451160736 /nfs/dbraw/zinc/16/07/36/451160736.db2.gz VREFBWMYDIUJRF-QZTJIDSGSA-N 2 2 331.460 1.613 20 0 EDADLP Cc1cc(C)c(CNC(=O)C2CC[NH+](Cc3nccn3C)CC2)c[nH+]1 ZINC000622667942 451190382 /nfs/dbraw/zinc/19/03/82/451190382.db2.gz ZKUBNJIBJNKYAG-UHFFFAOYSA-N 2 2 341.459 1.960 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)cc1 ZINC000635712973 451191800 /nfs/dbraw/zinc/19/18/00/451191800.db2.gz WVHRBIQPBZNAQC-BMGDILEWSA-N 2 2 347.459 1.105 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)cc1 ZINC000635712973 451191806 /nfs/dbraw/zinc/19/18/06/451191806.db2.gz WVHRBIQPBZNAQC-BMGDILEWSA-N 2 2 347.459 1.105 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000635712973 451191809 /nfs/dbraw/zinc/19/18/09/451191809.db2.gz WVHRBIQPBZNAQC-BMGDILEWSA-N 2 2 347.459 1.105 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000635712973 451191813 /nfs/dbraw/zinc/19/18/13/451191813.db2.gz WVHRBIQPBZNAQC-BMGDILEWSA-N 2 2 347.459 1.105 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000628307924 451214569 /nfs/dbraw/zinc/21/45/69/451214569.db2.gz KXCRYWROYFRTNI-OAHLLOKOSA-N 2 2 339.505 1.947 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000628307924 451214574 /nfs/dbraw/zinc/21/45/74/451214574.db2.gz KXCRYWROYFRTNI-OAHLLOKOSA-N 2 2 339.505 1.947 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000638085132 451250390 /nfs/dbraw/zinc/25/03/90/451250390.db2.gz JUSQLIHWQIQSRR-UHFFFAOYSA-N 2 2 338.408 1.576 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+]1CCOCC1 ZINC000636522618 451263449 /nfs/dbraw/zinc/26/34/49/451263449.db2.gz JRRYGIHDJBFXBJ-NVXWUHKLSA-N 2 2 349.479 1.244 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638099321 451265180 /nfs/dbraw/zinc/26/51/80/451265180.db2.gz SUWWSZWSDJFRQS-QFBILLFUSA-N 2 2 347.459 1.106 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1 ZINC000635818565 451267321 /nfs/dbraw/zinc/26/73/21/451267321.db2.gz HGVNUXPMRHJLHU-KZNAEPCWSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1 ZINC000635818565 451267327 /nfs/dbraw/zinc/26/73/27/451267327.db2.gz HGVNUXPMRHJLHU-KZNAEPCWSA-N 2 2 331.460 1.868 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)C[C@H]1C ZINC000638109426 451277275 /nfs/dbraw/zinc/27/72/75/451277275.db2.gz FDLQPBNFCRTJLB-OCCSQVGLSA-N 2 2 343.468 1.778 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)C[C@H]1C ZINC000638109426 451277280 /nfs/dbraw/zinc/27/72/80/451277280.db2.gz FDLQPBNFCRTJLB-OCCSQVGLSA-N 2 2 343.468 1.778 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)C[C@H]1C ZINC000638109426 451277286 /nfs/dbraw/zinc/27/72/86/451277286.db2.gz FDLQPBNFCRTJLB-OCCSQVGLSA-N 2 2 343.468 1.778 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)C[C@H]1C ZINC000638109426 451277291 /nfs/dbraw/zinc/27/72/91/451277291.db2.gz FDLQPBNFCRTJLB-OCCSQVGLSA-N 2 2 343.468 1.778 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000634297859 451283811 /nfs/dbraw/zinc/28/38/11/451283811.db2.gz GYURDRDQSLAHMV-KRWDZBQOSA-N 2 2 346.475 1.535 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000638119207 451289083 /nfs/dbraw/zinc/28/90/83/451289083.db2.gz LNHGZUXEPBERAS-FABXCBLPSA-N 2 2 341.402 1.451 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638137206 451310277 /nfs/dbraw/zinc/31/02/77/451310277.db2.gz GWFLYROVPFKZKH-QAPCUYQASA-N 2 2 348.491 1.085 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638137206 451310296 /nfs/dbraw/zinc/31/02/96/451310296.db2.gz GWFLYROVPFKZKH-QAPCUYQASA-N 2 2 348.491 1.085 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000638139214 451315080 /nfs/dbraw/zinc/31/50/80/451315080.db2.gz KFSVWOMQAGEZPY-HFTRVMKXSA-N 2 2 332.448 1.054 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638145753 451319902 /nfs/dbraw/zinc/31/99/02/451319902.db2.gz LLFDEZFWUXLAJV-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638145753 451319904 /nfs/dbraw/zinc/31/99/04/451319904.db2.gz LLFDEZFWUXLAJV-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCC[NH+]2CC=CCC2)cc1 ZINC000635878379 451325663 /nfs/dbraw/zinc/32/56/63/451325663.db2.gz UXAGIIHCBAFXTJ-SFHVURJKSA-N 2 2 329.444 1.648 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCC[NH+]2CC=CCC2)cc1 ZINC000635878379 451325668 /nfs/dbraw/zinc/32/56/68/451325668.db2.gz UXAGIIHCBAFXTJ-SFHVURJKSA-N 2 2 329.444 1.648 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000635878379 451325675 /nfs/dbraw/zinc/32/56/75/451325675.db2.gz UXAGIIHCBAFXTJ-SFHVURJKSA-N 2 2 329.444 1.648 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000635878379 451325683 /nfs/dbraw/zinc/32/56/83/451325683.db2.gz UXAGIIHCBAFXTJ-SFHVURJKSA-N 2 2 329.444 1.648 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1oc(C[NH3+])cc1C ZINC000638214979 451358511 /nfs/dbraw/zinc/35/85/11/451358511.db2.gz HWWYWOKVGQORAU-HNNXBMFYSA-N 2 2 329.400 1.842 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2cnc(C[NH3+])nc2)cc1 ZINC000638219236 451363127 /nfs/dbraw/zinc/36/31/27/451363127.db2.gz XRIKZJUBCUHWKO-INIZCTEOSA-N 2 2 325.416 1.284 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636629419 451366168 /nfs/dbraw/zinc/36/61/68/451366168.db2.gz NXCLHBOTIWAHFF-CYBMUJFWSA-N 2 2 331.445 1.227 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636629419 451366170 /nfs/dbraw/zinc/36/61/70/451366170.db2.gz NXCLHBOTIWAHFF-CYBMUJFWSA-N 2 2 331.445 1.227 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634511528 451377899 /nfs/dbraw/zinc/37/78/99/451377899.db2.gz RYSNJZHBZUKOJH-HZPDHXFCSA-N 2 2 331.464 1.036 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000638177558 451339119 /nfs/dbraw/zinc/33/91/19/451339119.db2.gz BYQUUKOSHGNDRS-QAPCUYQASA-N 2 2 349.500 1.783 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000638177558 451339122 /nfs/dbraw/zinc/33/91/22/451339122.db2.gz BYQUUKOSHGNDRS-QAPCUYQASA-N 2 2 349.500 1.783 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000638177558 451339126 /nfs/dbraw/zinc/33/91/26/451339126.db2.gz BYQUUKOSHGNDRS-QAPCUYQASA-N 2 2 349.500 1.783 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000638177558 451339128 /nfs/dbraw/zinc/33/91/28/451339128.db2.gz BYQUUKOSHGNDRS-QAPCUYQASA-N 2 2 349.500 1.783 20 0 EDADLP [NH3+]Cc1ncc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000638276020 451394740 /nfs/dbraw/zinc/39/47/40/451394740.db2.gz VOTVRZKYMUCWCH-UHFFFAOYSA-N 2 2 329.379 1.032 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000640566730 451411157 /nfs/dbraw/zinc/41/11/57/451411157.db2.gz BNGJYGNXBISCSX-CQSZACIVSA-N 2 2 328.420 1.898 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000640604601 451450940 /nfs/dbraw/zinc/45/09/40/451450940.db2.gz PNVPWCXYDLPHGW-CQSZACIVSA-N 2 2 333.436 1.334 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc[nH+]1 ZINC000640608764 451455185 /nfs/dbraw/zinc/45/51/85/451455185.db2.gz GRTCFVRDGUCOOL-UHFFFAOYSA-N 2 2 326.404 1.897 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3coc(CO)c3)CC2)CC1 ZINC000636053652 451469031 /nfs/dbraw/zinc/46/90/31/451469031.db2.gz RFWXNDUWSJXMPP-UHFFFAOYSA-N 2 2 335.448 1.404 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3coc(CO)c3)CC2)CC1 ZINC000636053652 451469036 /nfs/dbraw/zinc/46/90/36/451469036.db2.gz RFWXNDUWSJXMPP-UHFFFAOYSA-N 2 2 335.448 1.404 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000628911892 451471284 /nfs/dbraw/zinc/47/12/84/451471284.db2.gz CFVICCFAOQEERI-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000628911892 451471289 /nfs/dbraw/zinc/47/12/89/451471289.db2.gz CFVICCFAOQEERI-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628916036 451476809 /nfs/dbraw/zinc/47/68/09/451476809.db2.gz BJZPYWXSHSPISH-MRXNPFEDSA-N 2 2 332.448 1.053 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628916036 451476812 /nfs/dbraw/zinc/47/68/12/451476812.db2.gz BJZPYWXSHSPISH-MRXNPFEDSA-N 2 2 332.448 1.053 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ncccn3)C2)CC[N@@H+]1C ZINC000632636549 451477220 /nfs/dbraw/zinc/47/72/20/451477220.db2.gz RHOIOVSHKXUTQV-OWCLPIDISA-N 2 2 331.464 1.240 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ncccn3)C2)CC[N@H+]1C ZINC000632636549 451477226 /nfs/dbraw/zinc/47/72/26/451477226.db2.gz RHOIOVSHKXUTQV-OWCLPIDISA-N 2 2 331.464 1.240 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)CC[NH+]1C ZINC000632636549 451477228 /nfs/dbraw/zinc/47/72/28/451477228.db2.gz RHOIOVSHKXUTQV-OWCLPIDISA-N 2 2 331.464 1.240 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)CC[NH+]1C ZINC000632636549 451477233 /nfs/dbraw/zinc/47/72/33/451477233.db2.gz RHOIOVSHKXUTQV-OWCLPIDISA-N 2 2 331.464 1.240 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3[nH]cnc3C(C)(C)C)CC2)CC1 ZINC000630862680 451445925 /nfs/dbraw/zinc/44/59/25/451445925.db2.gz LEYNSPDEBIKDRF-UHFFFAOYSA-N 2 2 347.507 1.996 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638427313 451509978 /nfs/dbraw/zinc/50/99/78/451509978.db2.gz OTGNLPPYZXKPGE-GDBMZVCRSA-N 2 2 329.448 1.540 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638427313 451509981 /nfs/dbraw/zinc/50/99/81/451509981.db2.gz OTGNLPPYZXKPGE-GDBMZVCRSA-N 2 2 329.448 1.540 20 0 EDADLP CN(Cc1ccns1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636790602 451511355 /nfs/dbraw/zinc/51/13/55/451511355.db2.gz QCXBSCOCCYQDCD-ZDUSSCGKSA-N 2 2 337.493 1.453 20 0 EDADLP CN(Cc1ccns1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636790602 451511361 /nfs/dbraw/zinc/51/13/61/451511361.db2.gz QCXBSCOCCYQDCD-ZDUSSCGKSA-N 2 2 337.493 1.453 20 0 EDADLP CC[C@]1(O)CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636791864 451512134 /nfs/dbraw/zinc/51/21/34/451512134.db2.gz MZCHLQLBBXWJCH-QAPCUYQASA-N 2 2 338.496 1.101 20 0 EDADLP CC[C@]1(O)CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636791864 451512142 /nfs/dbraw/zinc/51/21/42/451512142.db2.gz MZCHLQLBBXWJCH-QAPCUYQASA-N 2 2 338.496 1.101 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCO[C@H](C(F)F)CC3)cn2)CC1 ZINC000634734767 451513061 /nfs/dbraw/zinc/51/30/61/451513061.db2.gz NVGXCEJVXANYIO-AWEZNQCLSA-N 2 2 341.406 1.084 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCO[C@H](C(F)F)CC3)cn2)CC1 ZINC000634734767 451513067 /nfs/dbraw/zinc/51/30/67/451513067.db2.gz NVGXCEJVXANYIO-AWEZNQCLSA-N 2 2 341.406 1.084 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+](C)CCc2ccccc2)[C@@H](C)CO1 ZINC000636172657 451564486 /nfs/dbraw/zinc/56/44/86/451564486.db2.gz ZYGXMKBRBCIJMY-IRXDYDNUSA-N 2 2 333.476 1.386 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH+](C)CCc2ccccc2)[C@@H](C)CO1 ZINC000636172657 451564489 /nfs/dbraw/zinc/56/44/89/451564489.db2.gz ZYGXMKBRBCIJMY-IRXDYDNUSA-N 2 2 333.476 1.386 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](C)CO1 ZINC000636172657 451564491 /nfs/dbraw/zinc/56/44/91/451564491.db2.gz ZYGXMKBRBCIJMY-IRXDYDNUSA-N 2 2 333.476 1.386 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](C)CO1 ZINC000636172657 451564493 /nfs/dbraw/zinc/56/44/93/451564493.db2.gz ZYGXMKBRBCIJMY-IRXDYDNUSA-N 2 2 333.476 1.386 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2CC[NH+](Cc3cnn(C)c3)CC2)n1 ZINC000631108333 451588429 /nfs/dbraw/zinc/58/84/29/451588429.db2.gz OKWGMEGWHJHRJU-UHFFFAOYSA-N 2 2 343.479 2.053 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000631097847 451581295 /nfs/dbraw/zinc/58/12/95/451581295.db2.gz GIADUASEZNEXKH-HOTGVXAUSA-N 2 2 333.480 2.032 20 0 EDADLP COCC1(C2CC2)CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000636987424 451664035 /nfs/dbraw/zinc/66/40/35/451664035.db2.gz NIEUNBJKGFZGBN-UHFFFAOYSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)n2)C1 ZINC000632913371 451647552 /nfs/dbraw/zinc/64/75/52/451647552.db2.gz ZBBCYOWUYSWSAL-OBJOEFQTSA-N 2 2 335.477 1.953 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)n2)C1 ZINC000632913371 451647554 /nfs/dbraw/zinc/64/75/54/451647554.db2.gz ZBBCYOWUYSWSAL-OBJOEFQTSA-N 2 2 335.477 1.953 20 0 EDADLP O=C(NCc1cccc2c1CC[NH2+]C2)C1CC[NH+](CC(F)F)CC1 ZINC000638845739 451708848 /nfs/dbraw/zinc/70/88/48/451708848.db2.gz JTCUDCJOOAVBEG-UHFFFAOYSA-N 2 2 337.414 1.926 20 0 EDADLP [NH3+]Cc1ccc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000632951935 451666386 /nfs/dbraw/zinc/66/63/86/451666386.db2.gz TTYWDSFMHHRMOD-UHFFFAOYSA-N 2 2 340.431 1.328 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638730684 451668813 /nfs/dbraw/zinc/66/88/13/451668813.db2.gz COXDWLHPZSLYAK-GOSISDBHSA-N 2 2 346.475 1.178 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638730684 451668816 /nfs/dbraw/zinc/66/88/16/451668816.db2.gz COXDWLHPZSLYAK-GOSISDBHSA-N 2 2 346.475 1.178 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732618 451669776 /nfs/dbraw/zinc/66/97/76/451669776.db2.gz XNFGLEHWGKHHAW-IAGOWNOFSA-N 2 2 348.491 1.423 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732618 451669777 /nfs/dbraw/zinc/66/97/77/451669777.db2.gz XNFGLEHWGKHHAW-IAGOWNOFSA-N 2 2 348.491 1.423 20 0 EDADLP O=C(N1CC[NH+](Cc2ccc(O)cc2)CC1)C12CCC[NH+](CCC1)C2 ZINC000636304920 451670049 /nfs/dbraw/zinc/67/00/49/451670049.db2.gz KYOWZVYZOFGTEG-UHFFFAOYSA-N 2 2 343.471 1.912 20 0 EDADLP Cc1nc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)nc(N)[nH+]1 ZINC000631266316 451670084 /nfs/dbraw/zinc/67/00/84/451670084.db2.gz FMBYKDZAHJYHKI-UHFFFAOYSA-N 2 2 328.420 1.269 20 0 EDADLP Cc1nc(N)nc(NCc2ccc(OC3CC[NH+](C)CC3)cc2)[nH+]1 ZINC000631266316 451670089 /nfs/dbraw/zinc/67/00/89/451670089.db2.gz FMBYKDZAHJYHKI-UHFFFAOYSA-N 2 2 328.420 1.269 20 0 EDADLP CCc1ccc([C@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000636473351 451726394 /nfs/dbraw/zinc/72/63/94/451726394.db2.gz YCOOGCALIDTMMW-MSOLQXFVSA-N 2 2 348.491 1.482 20 0 EDADLP CCc1ccc([C@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)[NH+](C)C)cc1 ZINC000636473351 451726398 /nfs/dbraw/zinc/72/63/98/451726398.db2.gz YCOOGCALIDTMMW-MSOLQXFVSA-N 2 2 348.491 1.482 20 0 EDADLP CN(CCC[NH3+])Cc1cn(Cc2c[nH+]cn2Cc2ccccc2)nn1 ZINC000641037977 451738136 /nfs/dbraw/zinc/73/81/36/451738136.db2.gz AKKDXUYUORWKAN-UHFFFAOYSA-N 2 2 339.447 1.352 20 0 EDADLP COC[C@@H]([NH3+])Cc1cn(Cc2c[nH+]cn2Cc2ccccc2)nn1 ZINC000641039150 451738276 /nfs/dbraw/zinc/73/82/76/451738276.db2.gz VAPQGCRPLURKRK-HNNXBMFYSA-N 2 2 326.404 1.087 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1=O ZINC000638981356 451745324 /nfs/dbraw/zinc/74/53/24/451745324.db2.gz RNUGPYFZGPTEGR-CQSZACIVSA-N 2 2 329.404 1.566 20 0 EDADLP COc1cccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1O ZINC000638984952 451745749 /nfs/dbraw/zinc/74/57/49/451745749.db2.gz WMXHDNMKZKQJAD-UHFFFAOYSA-N 2 2 328.372 1.458 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc2c(s1)CC[NH2+]C2 ZINC000638985984 451746423 /nfs/dbraw/zinc/74/64/23/451746423.db2.gz QLRXYYNNUHYESN-UHFFFAOYSA-N 3 2 343.456 1.451 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1COc2ccccc2O1 ZINC000638986923 451747199 /nfs/dbraw/zinc/74/71/99/451747199.db2.gz HTXOYBXNMGSPIT-INIZCTEOSA-N 2 2 340.383 1.270 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000638987493 451747924 /nfs/dbraw/zinc/74/79/24/451747924.db2.gz ROADNQPSGHOXOT-KBMXLJTQSA-N 3 2 329.448 1.350 20 0 EDADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990640 451749286 /nfs/dbraw/zinc/74/92/86/451749286.db2.gz MTHHQGLCVKGGSC-LSDHHAIUSA-N 2 2 334.489 1.639 20 0 EDADLP [NH3+]CC1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000638997803 451750035 /nfs/dbraw/zinc/75/00/35/451750035.db2.gz XQCARRMAMOJWCU-QGZVFWFLSA-N 2 2 331.460 1.665 20 0 EDADLP [NH3+]CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000638997803 451750038 /nfs/dbraw/zinc/75/00/38/451750038.db2.gz XQCARRMAMOJWCU-QGZVFWFLSA-N 2 2 331.460 1.665 20 0 EDADLP CN(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000641215654 451785080 /nfs/dbraw/zinc/78/50/80/451785080.db2.gz CPWMXSZYGZRENI-ZOBUZTSGSA-N 3 2 337.512 1.066 20 0 EDADLP CN(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000641215654 451785084 /nfs/dbraw/zinc/78/50/84/451785084.db2.gz CPWMXSZYGZRENI-ZOBUZTSGSA-N 3 2 337.512 1.066 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(S(N)(=O)=O)s1 ZINC000639175544 451785778 /nfs/dbraw/zinc/78/57/78/451785778.db2.gz QWSJUOAGPPGEBK-UHFFFAOYSA-N 2 2 328.463 1.423 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(S(N)(=O)=O)s1 ZINC000639175544 451785780 /nfs/dbraw/zinc/78/57/80/451785780.db2.gz QWSJUOAGPPGEBK-UHFFFAOYSA-N 2 2 328.463 1.423 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639178581 451786943 /nfs/dbraw/zinc/78/69/43/451786943.db2.gz MWLMIKWZVWNOFL-SMDDNHRTSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639178581 451786944 /nfs/dbraw/zinc/78/69/44/451786944.db2.gz MWLMIKWZVWNOFL-SMDDNHRTSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639178581 451786945 /nfs/dbraw/zinc/78/69/45/451786945.db2.gz MWLMIKWZVWNOFL-SMDDNHRTSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639178581 451786946 /nfs/dbraw/zinc/78/69/46/451786946.db2.gz MWLMIKWZVWNOFL-SMDDNHRTSA-N 2 2 345.896 1.759 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000641233553 451792246 /nfs/dbraw/zinc/79/22/46/451792246.db2.gz GXGUWDPTZSMXGM-SFHVURJKSA-N 2 2 345.491 1.428 20 0 EDADLP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000641233553 451792248 /nfs/dbraw/zinc/79/22/48/451792248.db2.gz GXGUWDPTZSMXGM-SFHVURJKSA-N 2 2 345.491 1.428 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000641264337 451798157 /nfs/dbraw/zinc/79/81/57/451798157.db2.gz WWGFKLFCQOPVKS-UHFFFAOYSA-N 2 2 348.472 1.073 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000653274769 451809232 /nfs/dbraw/zinc/80/92/32/451809232.db2.gz NYJCTLKMQRMGEV-KRWDZBQOSA-N 2 2 341.496 1.091 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1CO ZINC000639337463 451834389 /nfs/dbraw/zinc/83/43/89/451834389.db2.gz CDNKUGSUIIKZOT-HKUYNNGSSA-N 2 2 348.487 1.848 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1CO ZINC000639337463 451834394 /nfs/dbraw/zinc/83/43/94/451834394.db2.gz CDNKUGSUIIKZOT-HKUYNNGSSA-N 2 2 348.487 1.848 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccc(F)cc1 ZINC000637439782 451855949 /nfs/dbraw/zinc/85/59/49/451855949.db2.gz BVTRDHAJUQTANF-CVEARBPZSA-N 2 2 338.427 1.058 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)c1ccc(F)cc1 ZINC000637439782 451855953 /nfs/dbraw/zinc/85/59/53/451855953.db2.gz BVTRDHAJUQTANF-CVEARBPZSA-N 2 2 338.427 1.058 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000644569338 451868012 /nfs/dbraw/zinc/86/80/12/451868012.db2.gz IYGVYOQJWRFCCJ-AEFFLSMTSA-N 2 2 349.475 1.849 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CC(=O)N(C4CC4)C3)c2cc1C ZINC000644583474 451877953 /nfs/dbraw/zinc/87/79/53/451877953.db2.gz FUFCQTBOEOQFMR-GOEBONIOSA-N 2 2 342.443 1.367 20 0 EDADLP Cc1cc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)ncn1 ZINC000644608641 451893333 /nfs/dbraw/zinc/89/33/33/451893333.db2.gz FGKIHKKKSPMAJO-INIZCTEOSA-N 2 2 325.416 1.902 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCCC(=O)N3)c2cc1C ZINC000644634821 451906486 /nfs/dbraw/zinc/90/64/86/451906486.db2.gz AZMLUXMGVOJZOI-HUUCEWRRSA-N 2 2 330.432 1.272 20 0 EDADLP O[C@]1(C[N@@H+]2CCOC3(CCOCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639520925 451920423 /nfs/dbraw/zinc/92/04/23/451920423.db2.gz XNBJEGMZRLHDGJ-LJQANCHMSA-N 2 2 346.471 1.505 20 0 EDADLP O[C@]1(C[N@H+]2CCOC3(CCOCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639520925 451920429 /nfs/dbraw/zinc/92/04/29/451920429.db2.gz XNBJEGMZRLHDGJ-LJQANCHMSA-N 2 2 346.471 1.505 20 0 EDADLP O[C@]1(C[NH+]2CCOC3(CCOCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639520925 451920435 /nfs/dbraw/zinc/92/04/35/451920435.db2.gz XNBJEGMZRLHDGJ-LJQANCHMSA-N 2 2 346.471 1.505 20 0 EDADLP O[C@]1(C[NH+]2CCOC3(CCOCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639520925 451920442 /nfs/dbraw/zinc/92/04/42/451920442.db2.gz XNBJEGMZRLHDGJ-LJQANCHMSA-N 2 2 346.471 1.505 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H]2CSc3ccccc32)C[C@@H](C)O1 ZINC000644655928 451920658 /nfs/dbraw/zinc/92/06/58/451920658.db2.gz SHYUULQTWIOVKB-LVQVYYBASA-N 2 2 336.501 1.936 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)[C@@H]2C1 ZINC000646916187 451935503 /nfs/dbraw/zinc/93/55/03/451935503.db2.gz CJMUPIYMHLOCTC-RCCFBDPRSA-N 2 2 345.512 1.939 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)[C@@H]2C1 ZINC000646916187 451935507 /nfs/dbraw/zinc/93/55/07/451935507.db2.gz CJMUPIYMHLOCTC-RCCFBDPRSA-N 2 2 345.512 1.939 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649279423 451950386 /nfs/dbraw/zinc/95/03/86/451950386.db2.gz NUGXMRMMFAOHLT-HNNXBMFYSA-N 2 2 339.386 1.702 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000649281045 451952774 /nfs/dbraw/zinc/95/27/74/451952774.db2.gz COCODRQOAYJCOJ-OAHLLOKOSA-N 2 2 335.473 1.310 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000649285543 451958507 /nfs/dbraw/zinc/95/85/07/451958507.db2.gz AVTUTQPZCUVSCY-HNNXBMFYSA-N 2 2 330.432 1.011 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[NH+]2CCOCC2)c1 ZINC000649292376 451967222 /nfs/dbraw/zinc/96/72/22/451967222.db2.gz CJOYCRGMHITNMY-ZJPYXAASSA-N 2 2 329.444 1.235 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)COC2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000649295503 451971237 /nfs/dbraw/zinc/97/12/37/451971237.db2.gz QGWHKIMQVJEPNX-GASCZTMLSA-N 2 2 347.459 1.613 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)COC2(C)C[NH2+]C2)C[C@H](C)O1 ZINC000649295503 451971245 /nfs/dbraw/zinc/97/12/45/451971245.db2.gz QGWHKIMQVJEPNX-GASCZTMLSA-N 2 2 347.459 1.613 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649300386 451976795 /nfs/dbraw/zinc/97/67/95/451976795.db2.gz PMDDLYJYNQCJKH-AWEZNQCLSA-N 2 2 342.390 1.180 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649303097 451979258 /nfs/dbraw/zinc/97/92/58/451979258.db2.gz VHWYBOCAQXRRKF-AWEZNQCLSA-N 2 2 339.386 1.702 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649320799 451999434 /nfs/dbraw/zinc/99/94/34/451999434.db2.gz AGPCLEYKGFDTAD-AEFFLSMTSA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000639660712 452006707 /nfs/dbraw/zinc/00/67/07/452006707.db2.gz KKVNEQJLHNGMEV-UHFFFAOYSA-N 2 2 333.432 1.456 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649331844 452013465 /nfs/dbraw/zinc/01/34/65/452013465.db2.gz AGVYZKAAYRJKOO-INIZCTEOSA-N 2 2 328.416 1.126 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1c(F)cccc1F ZINC000649336496 452016155 /nfs/dbraw/zinc/01/61/55/452016155.db2.gz YKIDQEZJNLLDDA-GXFFZTMASA-N 2 2 347.356 1.929 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000639693068 452031930 /nfs/dbraw/zinc/03/19/30/452031930.db2.gz MQLDUTQDTTWJQC-FUHWJXTLSA-N 2 2 330.476 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000639693068 452031937 /nfs/dbraw/zinc/03/19/37/452031937.db2.gz MQLDUTQDTTWJQC-FUHWJXTLSA-N 2 2 330.476 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000639693070 452032007 /nfs/dbraw/zinc/03/20/07/452032007.db2.gz MQLDUTQDTTWJQC-SJLPKXTDSA-N 2 2 330.476 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000639693070 452032014 /nfs/dbraw/zinc/03/20/14/452032014.db2.gz MQLDUTQDTTWJQC-SJLPKXTDSA-N 2 2 330.476 1.814 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCc4cccnc43)C2)CC1 ZINC000644860068 452033838 /nfs/dbraw/zinc/03/38/38/452033838.db2.gz DVZCEUYAGBLITO-DOTOQJQBSA-N 2 2 328.460 1.396 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCc4cccnc43)C2)CC1 ZINC000644860068 452033842 /nfs/dbraw/zinc/03/38/42/452033842.db2.gz DVZCEUYAGBLITO-DOTOQJQBSA-N 2 2 328.460 1.396 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000649352580 452038022 /nfs/dbraw/zinc/03/80/22/452038022.db2.gz XNLDSIYSKAIXRY-MRXNPFEDSA-N 2 2 333.480 1.325 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000649357532 452039014 /nfs/dbraw/zinc/03/90/14/452039014.db2.gz PYZOJFBASOJAHI-WMZOPIPTSA-N 3 2 341.459 1.060 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613167 452041571 /nfs/dbraw/zinc/04/15/71/452041571.db2.gz YFYXJCSEHIRIEY-NVXWUHKLSA-N 2 2 326.412 1.218 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613167 452041575 /nfs/dbraw/zinc/04/15/75/452041575.db2.gz YFYXJCSEHIRIEY-NVXWUHKLSA-N 2 2 326.412 1.218 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613167 452041579 /nfs/dbraw/zinc/04/15/79/452041579.db2.gz YFYXJCSEHIRIEY-NVXWUHKLSA-N 2 2 326.412 1.218 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613167 452041584 /nfs/dbraw/zinc/04/15/84/452041584.db2.gz YFYXJCSEHIRIEY-NVXWUHKLSA-N 2 2 326.412 1.218 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000653672730 452072253 /nfs/dbraw/zinc/07/22/53/452072253.db2.gz ZVQHGJQCWVDEJF-HUUCEWRRSA-N 2 2 345.281 1.559 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000653672730 452072259 /nfs/dbraw/zinc/07/22/59/452072259.db2.gz ZVQHGJQCWVDEJF-HUUCEWRRSA-N 2 2 345.281 1.559 20 0 EDADLP CN(C(=O)c1ncn(C(C)(C)C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643230326 452084769 /nfs/dbraw/zinc/08/47/69/452084769.db2.gz NKPQIQRWWRACFG-OAHLLOKOSA-N 2 2 348.495 1.274 20 0 EDADLP CN(C(=O)c1ncn(C(C)(C)C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643230326 452084774 /nfs/dbraw/zinc/08/47/74/452084774.db2.gz NKPQIQRWWRACFG-OAHLLOKOSA-N 2 2 348.495 1.274 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761479 452099566 /nfs/dbraw/zinc/09/95/66/452099566.db2.gz ICVWUFWYXUAREW-LPHOPBHVSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761479 452099575 /nfs/dbraw/zinc/09/95/75/452099575.db2.gz ICVWUFWYXUAREW-LPHOPBHVSA-N 2 2 333.476 1.422 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000639760762 452100127 /nfs/dbraw/zinc/10/01/27/452100127.db2.gz CRSLFSGCASYNQT-MJGOQNOKSA-N 2 2 331.460 1.571 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000639760762 452100131 /nfs/dbraw/zinc/10/01/31/452100131.db2.gz CRSLFSGCASYNQT-MJGOQNOKSA-N 2 2 331.460 1.571 20 0 EDADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762893 452102173 /nfs/dbraw/zinc/10/21/73/452102173.db2.gz ANZAYTBSTMZPTK-MAUKXSAKSA-N 2 2 325.497 1.460 20 0 EDADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762893 452102167 /nfs/dbraw/zinc/10/21/67/452102167.db2.gz ANZAYTBSTMZPTK-MAUKXSAKSA-N 2 2 325.497 1.460 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000637831767 452105809 /nfs/dbraw/zinc/10/58/09/452105809.db2.gz BUABIYRMRCDPCP-UHFFFAOYSA-N 2 2 347.459 1.062 20 0 EDADLP CC[C@@H](OCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1)c1ccccc1 ZINC000649486501 452106666 /nfs/dbraw/zinc/10/66/66/452106666.db2.gz OQPYSFDJAKQLTD-GOSISDBHSA-N 2 2 333.476 1.860 20 0 EDADLP O=C(C[N@H+]1CCCCC[C@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653781280 452112935 /nfs/dbraw/zinc/11/29/35/452112935.db2.gz PYGDEJNFQOMSLG-IBGZPJMESA-N 2 2 345.487 1.568 20 0 EDADLP O=C(C[N@@H+]1CCCCC[C@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000653781280 452112939 /nfs/dbraw/zinc/11/29/39/452112939.db2.gz PYGDEJNFQOMSLG-IBGZPJMESA-N 2 2 345.487 1.568 20 0 EDADLP CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000649588044 452157257 /nfs/dbraw/zinc/15/72/57/452157257.db2.gz ZHYPMBSSEAQDST-OWCLPIDISA-N 2 2 331.526 1.509 20 0 EDADLP CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000649588044 452157261 /nfs/dbraw/zinc/15/72/61/452157261.db2.gz ZHYPMBSSEAQDST-OWCLPIDISA-N 2 2 331.526 1.509 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(C)[nH+]1 ZINC000643384206 452166908 /nfs/dbraw/zinc/16/69/08/452166908.db2.gz ZQJCRKMYYKFIGP-SJORKVTESA-N 2 2 332.448 1.439 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000649632169 452175675 /nfs/dbraw/zinc/17/56/75/452175675.db2.gz ZGDVVQGZXGFFBC-UHFFFAOYSA-N 2 2 331.508 1.821 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000649632169 452175680 /nfs/dbraw/zinc/17/56/80/452175680.db2.gz ZGDVVQGZXGFFBC-UHFFFAOYSA-N 2 2 331.508 1.821 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000649632169 452175683 /nfs/dbraw/zinc/17/56/83/452175683.db2.gz ZGDVVQGZXGFFBC-UHFFFAOYSA-N 2 2 331.508 1.821 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000649632169 452175687 /nfs/dbraw/zinc/17/56/87/452175687.db2.gz ZGDVVQGZXGFFBC-UHFFFAOYSA-N 2 2 331.508 1.821 20 0 EDADLP Cc1[nH]c2nc[nH+]c(NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2c1C ZINC000645153048 452180618 /nfs/dbraw/zinc/18/06/18/452180618.db2.gz YROBLODDJVKQDV-ZDUSSCGKSA-N 2 2 330.436 1.574 20 0 EDADLP Cc1[nH]c2nc[nH+]c(NCCC[N@H+]3CCC[C@H](C(N)=O)C3)c2c1C ZINC000645153048 452180622 /nfs/dbraw/zinc/18/06/22/452180622.db2.gz YROBLODDJVKQDV-ZDUSSCGKSA-N 2 2 330.436 1.574 20 0 EDADLP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000639850565 452181932 /nfs/dbraw/zinc/18/19/32/452181932.db2.gz VZHYCYVXJWYLEI-MOPGFXCFSA-N 2 2 333.476 1.016 20 0 EDADLP C[C@@]1(CO)C[C@@H](O)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000639850565 452181935 /nfs/dbraw/zinc/18/19/35/452181935.db2.gz VZHYCYVXJWYLEI-MOPGFXCFSA-N 2 2 333.476 1.016 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653997882 452197313 /nfs/dbraw/zinc/19/73/13/452197313.db2.gz YVFOJIFSBPYDGY-MELADBBJSA-N 2 2 331.420 1.954 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653997882 452197319 /nfs/dbraw/zinc/19/73/19/452197319.db2.gz YVFOJIFSBPYDGY-MELADBBJSA-N 2 2 331.420 1.954 20 0 EDADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000637958468 452202877 /nfs/dbraw/zinc/20/28/77/452202877.db2.gz RCTMODFLNIZIJP-UHFFFAOYSA-N 2 2 329.466 1.479 20 0 EDADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000637958468 452202882 /nfs/dbraw/zinc/20/28/82/452202882.db2.gz RCTMODFLNIZIJP-UHFFFAOYSA-N 2 2 329.466 1.479 20 0 EDADLP C[C@](O)(C[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)C1CC1 ZINC000639890947 452220944 /nfs/dbraw/zinc/22/09/44/452220944.db2.gz DFSKIIOBQQSDQL-WMZOPIPTSA-N 2 2 326.481 1.085 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000647470929 452222824 /nfs/dbraw/zinc/22/28/24/452222824.db2.gz RIWNYKCYBSEFIP-UONOGXRCSA-N 2 2 347.463 1.322 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cn21 ZINC000647478584 452225846 /nfs/dbraw/zinc/22/58/46/452225846.db2.gz VWAPYXZCPHOYOL-LBPRGKRZSA-N 2 2 343.353 1.764 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000654059276 452227860 /nfs/dbraw/zinc/22/78/60/452227860.db2.gz PDCFJWSJEKKJRG-OAGGEKHMSA-N 2 2 344.459 1.799 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000654059276 452227869 /nfs/dbraw/zinc/22/78/69/452227869.db2.gz PDCFJWSJEKKJRG-OAGGEKHMSA-N 2 2 344.459 1.799 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645234756 452228732 /nfs/dbraw/zinc/22/87/32/452228732.db2.gz ZDUWAWIBDOQXAD-STQMWFEESA-N 2 2 332.439 1.745 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645234756 452228737 /nfs/dbraw/zinc/22/87/37/452228737.db2.gz ZDUWAWIBDOQXAD-STQMWFEESA-N 2 2 332.439 1.745 20 0 EDADLP Cn1c[nH+]cc1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000649750536 452230436 /nfs/dbraw/zinc/23/04/36/452230436.db2.gz QSQLCJRQTMUDTB-OALUTQOASA-N 2 2 326.444 1.895 20 0 EDADLP Cn1c[nH+]cc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000649750536 452230440 /nfs/dbraw/zinc/23/04/40/452230440.db2.gz QSQLCJRQTMUDTB-OALUTQOASA-N 2 2 326.444 1.895 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000639916843 452234860 /nfs/dbraw/zinc/23/48/60/452234860.db2.gz SWAIZMGYYWOQMF-HNNXBMFYSA-N 2 2 343.830 1.266 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000641771869 452245377 /nfs/dbraw/zinc/24/53/77/452245377.db2.gz LKUKMVYCMMLEPN-AWEZNQCLSA-N 2 2 342.509 1.162 20 0 EDADLP Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000641784672 452254278 /nfs/dbraw/zinc/25/42/78/452254278.db2.gz CYRGCZIHEBHZNV-MSOLQXFVSA-N 2 2 347.507 1.257 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)nn1C ZINC000641786157 452256039 /nfs/dbraw/zinc/25/60/39/452256039.db2.gz OUEQDDVAIBAIAR-DLBZAZTESA-N 2 2 335.496 1.176 20 0 EDADLP c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n(CC2CC2)n1 ZINC000641787209 452260171 /nfs/dbraw/zinc/26/01/71/452260171.db2.gz RKRWACHXEMWEEL-SFHVURJKSA-N 2 2 347.507 1.179 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000641786396 452260286 /nfs/dbraw/zinc/26/02/86/452260286.db2.gz QBZQNPQJBZKVFP-FGTMMUONSA-N 2 2 339.524 1.576 20 0 EDADLP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000641786289 452260811 /nfs/dbraw/zinc/26/08/11/452260811.db2.gz OZBVWRZABCQLGY-KZNAEPCWSA-N 2 2 325.497 1.330 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000659426181 452268538 /nfs/dbraw/zinc/26/85/38/452268538.db2.gz TWBPOOIXSWPBOY-OLZOCXBDSA-N 2 2 326.466 1.029 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1cccc(F)c1 ZINC000655479255 452275803 /nfs/dbraw/zinc/27/58/03/452275803.db2.gz NMWVDYNXCHDQQR-CWRNSKLLSA-N 2 2 328.391 1.538 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)n12 ZINC000641803947 452279748 /nfs/dbraw/zinc/27/97/48/452279748.db2.gz WFXBROKDTHEGKH-KGLIPLIRSA-N 2 2 340.431 1.105 20 0 EDADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000641808015 452289108 /nfs/dbraw/zinc/28/91/08/452289108.db2.gz XGCQMOVGKXSXEN-KBPBESRZSA-N 2 2 330.432 1.466 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809879 452290608 /nfs/dbraw/zinc/29/06/08/452290608.db2.gz SZWIJDDIYOAOSY-ZOBUZTSGSA-N 2 2 333.476 1.802 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809879 452290627 /nfs/dbraw/zinc/29/06/27/452290627.db2.gz SZWIJDDIYOAOSY-ZOBUZTSGSA-N 2 2 333.476 1.802 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H](C)[NH2+]C2CC2)cc1 ZINC000645317024 452295374 /nfs/dbraw/zinc/29/53/74/452295374.db2.gz PWZMZECNVNXAFQ-CRAIPNDOSA-N 2 2 331.460 1.625 20 0 EDADLP CCc1ccc([C@H](C[NH+]2CCOCC2)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643538238 452300374 /nfs/dbraw/zinc/30/03/74/452300374.db2.gz CDSIFRPXCDEDNU-FHWLQOOXSA-N 2 2 335.467 1.912 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000638049354 452316844 /nfs/dbraw/zinc/31/68/44/452316844.db2.gz DFWWRKKDENWPRA-CJNGLKHVSA-N 2 2 338.477 1.835 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000638056343 452341164 /nfs/dbraw/zinc/34/11/64/452341164.db2.gz KFUWYHVQSAKJAP-QGZVFWFLSA-N 2 2 343.475 1.742 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000641941862 452348763 /nfs/dbraw/zinc/34/87/63/452348763.db2.gz SLEWGJXPCBJZLO-HUUCEWRRSA-N 2 2 334.464 1.567 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659493130 452354846 /nfs/dbraw/zinc/35/48/46/452354846.db2.gz ASDOJDPKLRTLFI-LSDHHAIUSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659493130 452354856 /nfs/dbraw/zinc/35/48/56/452354856.db2.gz ASDOJDPKLRTLFI-LSDHHAIUSA-N 2 2 331.464 1.688 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659548870 452406536 /nfs/dbraw/zinc/40/65/36/452406536.db2.gz PXYPCHGQLBJASR-OAHLLOKOSA-N 2 2 326.485 1.258 20 0 EDADLP O=C(NCCC[C@H]1CCC[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659552667 452409445 /nfs/dbraw/zinc/40/94/45/452409445.db2.gz QNVUWTVGZFESIY-QGZVFWFLSA-N 2 2 338.496 1.272 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000654363570 452414329 /nfs/dbraw/zinc/41/43/29/452414329.db2.gz XQWZCCIGUCOXOJ-IYBDPMFKSA-N 2 2 331.464 1.821 20 0 EDADLP O=C(CCn1cc[nH+]c1)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000647693417 452423793 /nfs/dbraw/zinc/42/37/93/452423793.db2.gz MLGOBEFJERXTTO-UHFFFAOYSA-N 2 2 333.461 1.894 20 0 EDADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C[C@H]1COCCO1 ZINC000661609575 452425411 /nfs/dbraw/zinc/42/54/11/452425411.db2.gz BNUKWXGXCZPPSP-IBGZPJMESA-N 2 2 333.476 1.546 20 0 EDADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C[C@H]1COCCO1 ZINC000661609575 452425417 /nfs/dbraw/zinc/42/54/17/452425417.db2.gz BNUKWXGXCZPPSP-IBGZPJMESA-N 2 2 333.476 1.546 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1COc2ccccc2C1 ZINC000663714152 452450361 /nfs/dbraw/zinc/45/03/61/452450361.db2.gz OMMRJRYQIVFFTQ-INIZCTEOSA-N 2 2 334.464 1.173 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1COc2ccccc2C1 ZINC000663714152 452450364 /nfs/dbraw/zinc/45/03/64/452450364.db2.gz OMMRJRYQIVFFTQ-INIZCTEOSA-N 2 2 334.464 1.173 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2[nH+]1 ZINC000657711334 452461133 /nfs/dbraw/zinc/46/11/33/452461133.db2.gz FUMVRBPWYLRDQW-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663726903 452462014 /nfs/dbraw/zinc/46/20/14/452462014.db2.gz BKBSQCYXCJOGNM-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663726903 452462022 /nfs/dbraw/zinc/46/20/22/452462022.db2.gz BKBSQCYXCJOGNM-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663726903 452462028 /nfs/dbraw/zinc/46/20/28/452462028.db2.gz BKBSQCYXCJOGNM-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663726903 452462038 /nfs/dbraw/zinc/46/20/38/452462038.db2.gz BKBSQCYXCJOGNM-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2[nH+]1 ZINC000657722585 452471769 /nfs/dbraw/zinc/47/17/69/452471769.db2.gz LJZZNDRRDNLKIF-TZMCWYRMSA-N 2 2 341.415 1.323 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2[nH+]1 ZINC000657722585 452471777 /nfs/dbraw/zinc/47/17/77/452471777.db2.gz LJZZNDRRDNLKIF-TZMCWYRMSA-N 2 2 341.415 1.323 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663740238 452475204 /nfs/dbraw/zinc/47/52/04/452475204.db2.gz XRDVGKDIIRESIX-QGZVFWFLSA-N 2 2 339.443 1.736 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663740238 452475210 /nfs/dbraw/zinc/47/52/10/452475210.db2.gz XRDVGKDIIRESIX-QGZVFWFLSA-N 2 2 339.443 1.736 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000654427752 452483646 /nfs/dbraw/zinc/48/36/46/452483646.db2.gz BTWUNIRBCRTBDJ-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000654427752 452483651 /nfs/dbraw/zinc/48/36/51/452483651.db2.gz BTWUNIRBCRTBDJ-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313481 452488537 /nfs/dbraw/zinc/48/85/37/452488537.db2.gz XFGWHTPZUWMHFQ-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313481 452488547 /nfs/dbraw/zinc/48/85/47/452488547.db2.gz XFGWHTPZUWMHFQ-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652325823 452499043 /nfs/dbraw/zinc/49/90/43/452499043.db2.gz YXYCWYVLWBAHTC-BHIYHBOVSA-N 2 2 333.476 1.813 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652325823 452499049 /nfs/dbraw/zinc/49/90/49/452499049.db2.gz YXYCWYVLWBAHTC-BHIYHBOVSA-N 2 2 333.476 1.813 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C[C@H]1C ZINC000657754565 452503309 /nfs/dbraw/zinc/50/33/09/452503309.db2.gz HFZPKECDDWTZNN-CYBMUJFWSA-N 2 2 329.404 1.134 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C[C@H]1C ZINC000657754565 452503317 /nfs/dbraw/zinc/50/33/17/452503317.db2.gz HFZPKECDDWTZNN-CYBMUJFWSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+]CC2([NH3+])CCC2)n[nH]1 ZINC000652340243 452509677 /nfs/dbraw/zinc/50/96/77/452509677.db2.gz LIYBMPPFGRAXFG-UHFFFAOYSA-N 2 2 328.420 1.498 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000663790437 452521981 /nfs/dbraw/zinc/52/19/81/452521981.db2.gz BMCWETOUWGAYLK-DLBZAZTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000663790437 452521989 /nfs/dbraw/zinc/52/19/89/452521989.db2.gz BMCWETOUWGAYLK-DLBZAZTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663790437 452521996 /nfs/dbraw/zinc/52/19/96/452521996.db2.gz BMCWETOUWGAYLK-DLBZAZTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663790437 452522003 /nfs/dbraw/zinc/52/20/03/452522003.db2.gz BMCWETOUWGAYLK-DLBZAZTESA-N 3 2 341.544 1.290 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3cccc(OC)c3C2)CC1 ZINC000650106591 452524310 /nfs/dbraw/zinc/52/43/10/452524310.db2.gz LUIJWKQTHSIZBF-HNNXBMFYSA-N 2 2 331.460 1.606 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3cccc(OC)c3C2)CC1 ZINC000650106591 452524316 /nfs/dbraw/zinc/52/43/16/452524316.db2.gz LUIJWKQTHSIZBF-HNNXBMFYSA-N 2 2 331.460 1.606 20 0 EDADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000655735400 452548037 /nfs/dbraw/zinc/54/80/37/452548037.db2.gz UUIBTCLVZJQBED-LJQANCHMSA-N 2 2 327.476 1.825 20 0 EDADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000655735400 452548041 /nfs/dbraw/zinc/54/80/41/452548041.db2.gz UUIBTCLVZJQBED-LJQANCHMSA-N 2 2 327.476 1.825 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000647821150 452551003 /nfs/dbraw/zinc/55/10/03/452551003.db2.gz CJZHGYILSPLWNP-CVEARBPZSA-N 2 2 328.416 1.198 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000647821150 452551011 /nfs/dbraw/zinc/55/10/11/452551011.db2.gz CJZHGYILSPLWNP-CVEARBPZSA-N 2 2 328.416 1.198 20 0 EDADLP C[NH+]1CCN(c2ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)[nH+]c2)CC1 ZINC000655741137 452552842 /nfs/dbraw/zinc/55/28/42/452552842.db2.gz FTDFOZSPYZIBGU-SFHVURJKSA-N 3 2 345.491 1.499 20 0 EDADLP CC[C@H](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370560 452557205 /nfs/dbraw/zinc/55/72/05/452557205.db2.gz CVFMHWDUJQYXOX-ZOBUZTSGSA-N 2 2 340.512 1.515 20 0 EDADLP CC[C@H](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370560 452557215 /nfs/dbraw/zinc/55/72/15/452557215.db2.gz CVFMHWDUJQYXOX-ZOBUZTSGSA-N 2 2 340.512 1.515 20 0 EDADLP COC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000652370961 452560059 /nfs/dbraw/zinc/56/00/59/452560059.db2.gz YQDOMQPFQLOJMG-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP COC1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000652370961 452560067 /nfs/dbraw/zinc/56/00/67/452560067.db2.gz YQDOMQPFQLOJMG-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+](C)[C@H]1CCCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663842851 452568255 /nfs/dbraw/zinc/56/82/55/452568255.db2.gz BESVPEKCPCVSMD-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP C[NH+](C)[C@H]1CCCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663842851 452568262 /nfs/dbraw/zinc/56/82/62/452568262.db2.gz BESVPEKCPCVSMD-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655780863 452574995 /nfs/dbraw/zinc/57/49/95/452574995.db2.gz ONNXCNLEWBNOCN-WBVHZDCISA-N 2 2 331.460 1.606 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CCCn3nccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000657887567 452592106 /nfs/dbraw/zinc/59/21/06/452592106.db2.gz NDYVRLVDDNTWCX-HKUYNNGSSA-N 2 2 326.444 1.945 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CCCn3nccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000657887567 452592110 /nfs/dbraw/zinc/59/21/10/452592110.db2.gz NDYVRLVDDNTWCX-HKUYNNGSSA-N 2 2 326.444 1.945 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663891526 452614956 /nfs/dbraw/zinc/61/49/56/452614956.db2.gz DITOHVOYYYIFSA-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663891526 452614964 /nfs/dbraw/zinc/61/49/64/452614964.db2.gz DITOHVOYYYIFSA-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000652423067 452615754 /nfs/dbraw/zinc/61/57/54/452615754.db2.gz CZXUXSQOJBDPNR-UHFFFAOYSA-N 2 2 349.479 1.141 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000652423067 452615763 /nfs/dbraw/zinc/61/57/63/452615763.db2.gz CZXUXSQOJBDPNR-UHFFFAOYSA-N 2 2 349.479 1.141 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000647890748 452629813 /nfs/dbraw/zinc/62/98/13/452629813.db2.gz NLWDDNZFXYQJKX-CXAGYDPISA-N 2 2 333.432 1.350 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)C[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000647890748 452629818 /nfs/dbraw/zinc/62/98/18/452629818.db2.gz NLWDDNZFXYQJKX-CXAGYDPISA-N 2 2 333.432 1.350 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000647899725 452641320 /nfs/dbraw/zinc/64/13/20/452641320.db2.gz UFCUYCXMWTVJHC-GOEBONIOSA-N 2 2 345.443 1.860 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000647899725 452641324 /nfs/dbraw/zinc/64/13/24/452641324.db2.gz UFCUYCXMWTVJHC-GOEBONIOSA-N 2 2 345.443 1.860 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C2CC(CF)(CF)C2)C1=O ZINC000657970926 452650840 /nfs/dbraw/zinc/65/08/40/452650840.db2.gz PZBQDGBGYVUXCJ-ZDUSSCGKSA-N 2 2 326.391 1.589 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000661894387 452659133 /nfs/dbraw/zinc/65/91/33/452659133.db2.gz RMWVQGHCFXCMNJ-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCCOc2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000647936371 452675553 /nfs/dbraw/zinc/67/55/53/452675553.db2.gz CDNFRMMLIGBOQM-WMZOPIPTSA-N 2 2 333.476 1.939 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCCOc2cccc(C)c2)CC[C@@H]1[NH3+] ZINC000647936371 452675559 /nfs/dbraw/zinc/67/55/59/452675559.db2.gz CDNFRMMLIGBOQM-WMZOPIPTSA-N 2 2 333.476 1.939 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2noc(C3CCOCC3)n2)CC1 ZINC000647983506 452727881 /nfs/dbraw/zinc/72/78/81/452727881.db2.gz OXFNOKWCAAMAMF-ZBFHGGJFSA-N 2 2 336.436 1.292 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649749 452741084 /nfs/dbraw/zinc/74/10/84/452741084.db2.gz MUVVQPLDQYFKRK-WCXIOVBPSA-N 2 2 349.479 1.727 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649749 452741090 /nfs/dbraw/zinc/74/10/90/452741090.db2.gz MUVVQPLDQYFKRK-WCXIOVBPSA-N 2 2 349.479 1.727 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659867925 452747451 /nfs/dbraw/zinc/74/74/51/452747451.db2.gz YGDYJKGSKZHMTB-XHSDSOJGSA-N 2 2 331.451 1.901 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659867925 452747460 /nfs/dbraw/zinc/74/74/60/452747460.db2.gz YGDYJKGSKZHMTB-XHSDSOJGSA-N 2 2 331.451 1.901 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000658294508 452835729 /nfs/dbraw/zinc/83/57/29/452835729.db2.gz ICFVQYUUGGLQGE-CJNGLKHVSA-N 2 2 345.443 1.921 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C(C)(C)CO ZINC000664183617 452854049 /nfs/dbraw/zinc/85/40/49/452854049.db2.gz UGASIDUILSFMRR-CABCVRRESA-N 2 2 349.479 1.263 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)CO ZINC000664183617 452854062 /nfs/dbraw/zinc/85/40/62/452854062.db2.gz UGASIDUILSFMRR-CABCVRRESA-N 2 2 349.479 1.263 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccccc1S(C)(=O)=O ZINC000664197403 452872174 /nfs/dbraw/zinc/87/21/74/452872174.db2.gz VYCCBIUCEFRQNJ-AWEZNQCLSA-N 2 2 327.494 1.774 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccccc1S(C)(=O)=O ZINC000664197403 452872180 /nfs/dbraw/zinc/87/21/80/452872180.db2.gz VYCCBIUCEFRQNJ-AWEZNQCLSA-N 2 2 327.494 1.774 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662155770 452894806 /nfs/dbraw/zinc/89/48/06/452894806.db2.gz GQMMVBXUZBMMNK-UIBIWLFHSA-N 2 2 337.508 1.410 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662155770 452894816 /nfs/dbraw/zinc/89/48/16/452894816.db2.gz GQMMVBXUZBMMNK-UIBIWLFHSA-N 2 2 337.508 1.410 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662158274 452897034 /nfs/dbraw/zinc/89/70/34/452897034.db2.gz VFKJJLVOIDBCHL-HPFXQQBRSA-N 2 2 337.508 1.695 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662158274 452897040 /nfs/dbraw/zinc/89/70/40/452897040.db2.gz VFKJJLVOIDBCHL-HPFXQQBRSA-N 2 2 337.508 1.695 20 0 EDADLP COCC[N@H+](CCCOc1ccc(F)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662257739 452986324 /nfs/dbraw/zinc/98/63/24/452986324.db2.gz POBNWSVMTZATMP-QGZVFWFLSA-N 2 2 326.412 1.531 20 0 EDADLP COCC[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662257739 452986330 /nfs/dbraw/zinc/98/63/30/452986330.db2.gz POBNWSVMTZATMP-QGZVFWFLSA-N 2 2 326.412 1.531 20 0 EDADLP CCc1ccc(CN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662261334 452990918 /nfs/dbraw/zinc/99/09/18/452990918.db2.gz IDGKPBZVGROUSZ-HNNXBMFYSA-N 2 2 335.517 1.949 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662315728 453033955 /nfs/dbraw/zinc/03/39/55/453033955.db2.gz GWQXAVZCMCJNNE-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662315728 453033963 /nfs/dbraw/zinc/03/39/63/453033963.db2.gz GWQXAVZCMCJNNE-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319624 453036411 /nfs/dbraw/zinc/03/64/11/453036411.db2.gz PBIZMWIUOSCXEH-IBGZPJMESA-N 2 2 347.503 1.996 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319624 453036415 /nfs/dbraw/zinc/03/64/15/453036415.db2.gz PBIZMWIUOSCXEH-IBGZPJMESA-N 2 2 347.503 1.996 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652881910 453038668 /nfs/dbraw/zinc/03/86/68/453038668.db2.gz GYTRYOGWKCJBBO-HKUYNNGSSA-N 2 2 345.487 1.340 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652881910 453038678 /nfs/dbraw/zinc/03/86/78/453038678.db2.gz GYTRYOGWKCJBBO-HKUYNNGSSA-N 2 2 345.487 1.340 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000662342618 453062115 /nfs/dbraw/zinc/06/21/15/453062115.db2.gz INBRSIRCPJWSEN-GJZGRUSLSA-N 2 2 327.856 1.811 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCC(F)(F)C3)C2)CC1 ZINC000650877441 453076319 /nfs/dbraw/zinc/07/63/19/453076319.db2.gz VOOIAZWSUMBJQO-ZDUSSCGKSA-N 2 2 330.423 1.596 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCC(F)(F)C3)C2)CC1 ZINC000650877441 453076328 /nfs/dbraw/zinc/07/63/28/453076328.db2.gz VOOIAZWSUMBJQO-ZDUSSCGKSA-N 2 2 330.423 1.596 20 0 EDADLP CC(=O)c1nc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]c1C ZINC000660156378 453087490 /nfs/dbraw/zinc/08/74/90/453087490.db2.gz RNXPCPHRCJUSPH-RHSMWYFYSA-N 2 2 347.507 1.421 20 0 EDADLP CC(=O)c1nc(CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]c1C ZINC000660156378 453087499 /nfs/dbraw/zinc/08/74/99/453087499.db2.gz RNXPCPHRCJUSPH-RHSMWYFYSA-N 2 2 347.507 1.421 20 0 EDADLP CC(=O)c1[nH]c(CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc1C ZINC000660156378 453087505 /nfs/dbraw/zinc/08/75/05/453087505.db2.gz RNXPCPHRCJUSPH-RHSMWYFYSA-N 2 2 347.507 1.421 20 0 EDADLP CC(=O)c1[nH]c(CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc1C ZINC000660156378 453087513 /nfs/dbraw/zinc/08/75/13/453087513.db2.gz RNXPCPHRCJUSPH-RHSMWYFYSA-N 2 2 347.507 1.421 20 0 EDADLP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000644154038 453087787 /nfs/dbraw/zinc/08/77/87/453087787.db2.gz PJQRVRWUCWBMEQ-HNNXBMFYSA-N 2 2 341.377 1.715 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3C[NH+](C4CCCCC4)C3)C2)CC1 ZINC000654969064 453089017 /nfs/dbraw/zinc/08/90/17/453089017.db2.gz NMNPAWLVAQGOQZ-QGZVFWFLSA-N 3 2 348.535 1.536 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3C[NH+](C4CCCCC4)C3)C2)CC1 ZINC000654969064 453089026 /nfs/dbraw/zinc/08/90/26/453089026.db2.gz NMNPAWLVAQGOQZ-QGZVFWFLSA-N 3 2 348.535 1.536 20 0 EDADLP COc1nccnc1C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000648446268 453090602 /nfs/dbraw/zinc/09/06/02/453090602.db2.gz UMQJXFGPNVCJIF-CQSZACIVSA-N 2 2 328.420 1.651 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000662388590 453099412 /nfs/dbraw/zinc/09/94/12/453099412.db2.gz OVRRDKHJMFOJPE-RDJZCZTQSA-N 2 2 348.491 1.934 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OC ZINC000666770303 453134260 /nfs/dbraw/zinc/13/42/60/453134260.db2.gz SFWOFDDPTDPOMN-HNNXBMFYSA-N 2 2 335.448 1.442 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215049 453137068 /nfs/dbraw/zinc/13/70/68/453137068.db2.gz IKMAHHMLDSNVEN-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000660222408 453140787 /nfs/dbraw/zinc/14/07/87/453140787.db2.gz VJVJAEVHPAZWFI-KRWDZBQOSA-N 2 2 328.460 1.932 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000660222408 453140794 /nfs/dbraw/zinc/14/07/94/453140794.db2.gz VJVJAEVHPAZWFI-KRWDZBQOSA-N 2 2 328.460 1.932 20 0 EDADLP CC(C)O[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000650994171 453170435 /nfs/dbraw/zinc/17/04/35/453170435.db2.gz CSJGHZNISLAWNT-QGZVFWFLSA-N 2 2 340.512 1.611 20 0 EDADLP CC1CCC(O)(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000664540601 453181296 /nfs/dbraw/zinc/18/12/96/453181296.db2.gz YQGZZZPVSQZSKI-UHFFFAOYSA-N 2 2 340.512 1.253 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(C[NH2+]Cc3ccccc3)nn2)C1 ZINC000656446783 453188427 /nfs/dbraw/zinc/18/84/27/453188427.db2.gz BMUYNRGGSWBJBG-IBGZPJMESA-N 2 2 343.475 1.925 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](Cn2cc(C[NH2+]Cc3ccccc3)nn2)C1 ZINC000656446783 453188429 /nfs/dbraw/zinc/18/84/29/453188429.db2.gz BMUYNRGGSWBJBG-IBGZPJMESA-N 2 2 343.475 1.925 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[NH+]2CCOCC2)c1 ZINC000648733308 453221509 /nfs/dbraw/zinc/22/15/09/453221509.db2.gz MTJPRIIGTYTKJW-BHIYHBOVSA-N 2 2 345.487 1.825 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[NH+]2CCOCC2)c1 ZINC000648733308 453221513 /nfs/dbraw/zinc/22/15/13/453221513.db2.gz MTJPRIIGTYTKJW-BHIYHBOVSA-N 2 2 345.487 1.825 20 0 EDADLP C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000646222293 453235023 /nfs/dbraw/zinc/23/50/23/453235023.db2.gz QYGYRSZHYCGSSY-MAUKXSAKSA-N 2 2 331.460 1.006 20 0 EDADLP C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000646222293 453235027 /nfs/dbraw/zinc/23/50/27/453235027.db2.gz QYGYRSZHYCGSSY-MAUKXSAKSA-N 2 2 331.460 1.006 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660347451 453238220 /nfs/dbraw/zinc/23/82/20/453238220.db2.gz YMWRQTJKGQGIFA-HNNXBMFYSA-N 2 2 338.496 1.128 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1nc2cc(Cl)ccc2s1 ZINC000653062684 453238352 /nfs/dbraw/zinc/23/83/52/453238352.db2.gz HOMVODKCIKAQNV-LLVKDONJSA-N 2 2 340.880 1.887 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)no1 ZINC000662527620 453248556 /nfs/dbraw/zinc/24/85/56/453248556.db2.gz WZVXXKHNKRYXJE-CQSZACIVSA-N 2 2 343.431 1.717 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000653075723 453255080 /nfs/dbraw/zinc/25/50/80/453255080.db2.gz YMXDOLHICFYGSP-INIZCTEOSA-N 2 2 332.448 1.530 20 0 EDADLP Cc1oncc1C(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653076557 453255312 /nfs/dbraw/zinc/25/53/12/453255312.db2.gz ZEUJFJAXSHIFHQ-HNNXBMFYSA-N 2 2 345.403 1.453 20 0 EDADLP CCc1ccc2c(c1)[C@H](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)N2 ZINC000653088598 453271192 /nfs/dbraw/zinc/27/11/92/453271192.db2.gz DNOUAQADYGYLTM-DZGCQCFKSA-N 2 2 332.448 1.070 20 0 EDADLP Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653093858 453276833 /nfs/dbraw/zinc/27/68/33/453276833.db2.gz OPTAOZKTQHHCMP-KURKYZTESA-N 2 2 333.476 1.858 20 0 EDADLP Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)CO2)c1 ZINC000653097302 453279818 /nfs/dbraw/zinc/27/98/18/453279818.db2.gz JIBBYEUERQWUBJ-NXHRZFHOSA-N 2 2 333.476 1.871 20 0 EDADLP CC[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000653110066 453295377 /nfs/dbraw/zinc/29/53/77/453295377.db2.gz WUHRXTWPULNCGO-MSOLQXFVSA-N 3 2 332.492 1.219 20 0 EDADLP CC[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000653110066 453295387 /nfs/dbraw/zinc/29/53/87/453295387.db2.gz WUHRXTWPULNCGO-MSOLQXFVSA-N 3 2 332.492 1.219 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653111282 453297832 /nfs/dbraw/zinc/29/78/32/453297832.db2.gz KNQNIVMDBPLCFT-DLBZAZTESA-N 2 2 332.448 1.466 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000653115211 453302820 /nfs/dbraw/zinc/30/28/20/453302820.db2.gz GWXIJJDENHYRQZ-DLBZAZTESA-N 2 2 347.438 1.386 20 0 EDADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653119196 453309279 /nfs/dbraw/zinc/30/92/79/453309279.db2.gz BCMPDGXBAARQSN-ROUUACIJSA-N 3 2 332.492 1.246 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653119196 453309286 /nfs/dbraw/zinc/30/92/86/453309286.db2.gz BCMPDGXBAARQSN-ROUUACIJSA-N 3 2 332.492 1.246 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000653136786 453327220 /nfs/dbraw/zinc/32/72/20/453327220.db2.gz GEZJGXXHYXRVNM-INIZCTEOSA-N 2 2 325.416 1.330 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646341169 453331567 /nfs/dbraw/zinc/33/15/67/453331567.db2.gz LDKFTSFEGSPBPG-QAPCUYQASA-N 2 2 329.444 1.343 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000655243884 453365138 /nfs/dbraw/zinc/36/51/38/453365138.db2.gz WEAQHAKOHTYOQH-SFHVURJKSA-N 2 2 346.475 1.148 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000655243884 453365145 /nfs/dbraw/zinc/36/51/45/453365145.db2.gz WEAQHAKOHTYOQH-SFHVURJKSA-N 2 2 346.475 1.148 20 0 EDADLP C[C@H]1SCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000653175206 453366728 /nfs/dbraw/zinc/36/67/28/453366728.db2.gz QWBDFZRORMHOOU-COXVUDFISA-N 2 2 344.484 1.811 20 0 EDADLP Cc1cccc(C(=O)N2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC000656694884 453368865 /nfs/dbraw/zinc/36/88/65/453368865.db2.gz SONWDKMGOYJNBQ-IBGZPJMESA-N 2 2 347.503 1.844 20 0 EDADLP Cc1cccc(C(=O)N2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC000656694884 453368868 /nfs/dbraw/zinc/36/88/68/453368868.db2.gz SONWDKMGOYJNBQ-IBGZPJMESA-N 2 2 347.503 1.844 20 0 EDADLP Cc1cccc(C(=O)N2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)c1 ZINC000656694884 453368871 /nfs/dbraw/zinc/36/88/71/453368871.db2.gz SONWDKMGOYJNBQ-IBGZPJMESA-N 2 2 347.503 1.844 20 0 EDADLP Cc1cccc(C(=O)N2CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)c1 ZINC000656694884 453368874 /nfs/dbraw/zinc/36/88/74/453368874.db2.gz SONWDKMGOYJNBQ-IBGZPJMESA-N 2 2 347.503 1.844 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000653180040 453370205 /nfs/dbraw/zinc/37/02/05/453370205.db2.gz HOMRFVLLRZQWKG-OAHLLOKOSA-N 2 2 327.375 1.192 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000662662628 453376098 /nfs/dbraw/zinc/37/60/98/453376098.db2.gz ADQUDWDFRHZNLN-CJNGLKHVSA-N 2 2 339.386 1.288 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)on1 ZINC000662673614 453390365 /nfs/dbraw/zinc/39/03/65/453390365.db2.gz OOUYHJKGDGQSMH-UHFFFAOYSA-N 2 2 329.404 1.794 20 0 EDADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000644396401 453401130 /nfs/dbraw/zinc/40/11/30/453401130.db2.gz SUDAYYBLQZONFZ-YUELXQCFSA-N 2 2 335.452 1.611 20 0 EDADLP C[C@@H](C(=O)NCCC1(C[NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000653221418 453409781 /nfs/dbraw/zinc/40/97/81/453409781.db2.gz WJBGTZGXFYVYAQ-HNNXBMFYSA-N 2 2 348.466 1.581 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000662740787 453466300 /nfs/dbraw/zinc/46/63/00/453466300.db2.gz BXTNNGVEAZVMKW-IEBWSBKVSA-N 2 2 344.503 1.309 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000662740787 453466306 /nfs/dbraw/zinc/46/63/06/453466306.db2.gz BXTNNGVEAZVMKW-IEBWSBKVSA-N 2 2 344.503 1.309 20 0 EDADLP CO[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000651322364 453468757 /nfs/dbraw/zinc/46/87/57/453468757.db2.gz OOXLAPGUPSUWQL-YPMHNXCESA-N 2 2 337.386 1.239 20 0 EDADLP CO[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000651322364 453468762 /nfs/dbraw/zinc/46/87/62/453468762.db2.gz OOXLAPGUPSUWQL-YPMHNXCESA-N 2 2 337.386 1.239 20 0 EDADLP CO[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000651322362 453469331 /nfs/dbraw/zinc/46/93/31/453469331.db2.gz OOXLAPGUPSUWQL-DGCLKSJQSA-N 2 2 337.386 1.239 20 0 EDADLP CO[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000651322362 453469338 /nfs/dbraw/zinc/46/93/38/453469338.db2.gz OOXLAPGUPSUWQL-DGCLKSJQSA-N 2 2 337.386 1.239 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000662743347 453470845 /nfs/dbraw/zinc/47/08/45/453470845.db2.gz YIFJNDDCPCHKKD-MSOLQXFVSA-N 2 2 330.476 1.046 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000662743347 453470852 /nfs/dbraw/zinc/47/08/52/453470852.db2.gz YIFJNDDCPCHKKD-MSOLQXFVSA-N 2 2 330.476 1.046 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662744512 453472509 /nfs/dbraw/zinc/47/25/09/453472509.db2.gz PFSGVWLFKVKRIY-GUDVDZBRSA-N 2 2 344.503 1.436 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662744512 453472514 /nfs/dbraw/zinc/47/25/14/453472514.db2.gz PFSGVWLFKVKRIY-GUDVDZBRSA-N 2 2 344.503 1.436 20 0 EDADLP COCC1([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCOCC1 ZINC000660636505 453478543 /nfs/dbraw/zinc/47/85/43/453478543.db2.gz URBHEGKLVGCWMG-MRXNPFEDSA-N 2 2 347.459 1.799 20 0 EDADLP C[C@H](c1ccccc1)n1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000667207203 453478476 /nfs/dbraw/zinc/47/84/76/453478476.db2.gz GCNVEYGNFGRWBV-ZBFHGGJFSA-N 2 2 342.447 1.599 20 0 EDADLP C[C@H](c1ccccc1)n1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000667207203 453478484 /nfs/dbraw/zinc/47/84/84/453478484.db2.gz GCNVEYGNFGRWBV-ZBFHGGJFSA-N 2 2 342.447 1.599 20 0 EDADLP CN(C)CC[NH+]1CCC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651334101 453478709 /nfs/dbraw/zinc/47/87/09/453478709.db2.gz LTGWZIYIGSCYGL-UHFFFAOYSA-N 2 2 347.507 1.152 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646584115 453488756 /nfs/dbraw/zinc/48/87/56/453488756.db2.gz ZQRFKQGYVFRLOP-IBGZPJMESA-N 2 2 345.487 1.390 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646584115 453488762 /nfs/dbraw/zinc/48/87/62/453488762.db2.gz ZQRFKQGYVFRLOP-IBGZPJMESA-N 2 2 345.487 1.390 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667237256 453500680 /nfs/dbraw/zinc/50/06/80/453500680.db2.gz MAFTUIVCPSJLOG-AWEZNQCLSA-N 2 2 333.436 1.490 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000660707016 453534752 /nfs/dbraw/zinc/53/47/52/453534752.db2.gz KVHUCDPBMSWXED-ULQDDVLXSA-N 2 2 340.512 1.515 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])ccc2n1C1CC1 ZINC000662810813 453544310 /nfs/dbraw/zinc/54/43/10/453544310.db2.gz DLMDLFXBOPAXMD-PBHICJAKSA-N 2 2 342.443 1.914 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000660733862 453552427 /nfs/dbraw/zinc/55/24/27/453552427.db2.gz CDEJSPZUANZTCL-UHFFFAOYSA-N 2 2 327.432 1.650 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000660733862 453552432 /nfs/dbraw/zinc/55/24/32/453552432.db2.gz CDEJSPZUANZTCL-UHFFFAOYSA-N 2 2 327.432 1.650 20 0 EDADLP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000662877455 453584977 /nfs/dbraw/zinc/58/49/77/453584977.db2.gz CBQCADDDIZPROM-HOCLYGCPSA-N 2 2 326.400 1.745 20 0 EDADLP CN(C(=O)Cc1ccccc1N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900941 453595659 /nfs/dbraw/zinc/59/56/59/453595659.db2.gz QNBGYKIXGCNALO-KRWDZBQOSA-N 2 2 330.476 1.438 20 0 EDADLP CN(C(=O)Cc1ccccc1N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900941 453595663 /nfs/dbraw/zinc/59/56/63/453595663.db2.gz QNBGYKIXGCNALO-KRWDZBQOSA-N 2 2 330.476 1.438 20 0 EDADLP [NH3+][C@H](Cc1ccccc1)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662912376 453599768 /nfs/dbraw/zinc/59/97/68/453599768.db2.gz ZYBJZGGUPDBUBC-GOSISDBHSA-N 2 2 331.460 1.127 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCC(C)CC1 ZINC000660846561 453603683 /nfs/dbraw/zinc/60/36/83/453603683.db2.gz HTCBENWBIPIJSB-SJORKVTESA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660854574 453612312 /nfs/dbraw/zinc/61/23/12/453612312.db2.gz ZIFYMDSOSSNYPD-DLBZAZTESA-N 2 2 339.528 1.042 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000665232328 453617897 /nfs/dbraw/zinc/61/78/97/453617897.db2.gz KYMHLAJNWDHOQL-WDYCEAGBSA-N 2 2 336.476 1.735 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665240856 453621047 /nfs/dbraw/zinc/62/10/47/453621047.db2.gz ULJGFERAHQFCSK-MNEFBYGVSA-N 2 2 333.476 1.110 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000665240856 453621051 /nfs/dbraw/zinc/62/10/51/453621051.db2.gz ULJGFERAHQFCSK-MNEFBYGVSA-N 2 2 333.476 1.110 20 0 EDADLP C=Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657071361 453660886 /nfs/dbraw/zinc/66/08/86/453660886.db2.gz LNYXEXAHMAHESB-HNNXBMFYSA-N 2 2 339.505 1.880 20 0 EDADLP C=Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657071361 453660889 /nfs/dbraw/zinc/66/08/89/453660889.db2.gz LNYXEXAHMAHESB-HNNXBMFYSA-N 2 2 339.505 1.880 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000661069017 453701014 /nfs/dbraw/zinc/70/10/14/453701014.db2.gz GACUBRRFCNDAHR-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663238097 453742877 /nfs/dbraw/zinc/74/28/77/453742877.db2.gz RPMLDGPPYIOBQL-ARFHVFGLSA-N 2 2 347.463 1.214 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCO[C@](C)(C2CC2)C1)c1ccccc1 ZINC000661170020 453744648 /nfs/dbraw/zinc/74/46/48/453744648.db2.gz WIKCSLZQNGBCPK-QUCCMNQESA-N 2 2 345.487 1.906 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2=O)cc1 ZINC000657362704 453774783 /nfs/dbraw/zinc/77/47/83/453774783.db2.gz GFMGFRFMEQRHOS-QGZVFWFLSA-N 2 2 340.427 1.729 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000663518526 453814782 /nfs/dbraw/zinc/81/47/82/453814782.db2.gz QMIVHIUWCPBITC-AWEZNQCLSA-N 2 2 329.404 1.262 20 0 EDADLP O[C@@H](CN[C@H](C[NH+]1CCCCC1)c1ccccc1)C[NH+]1CCOCC1 ZINC000679941915 486678176 /nfs/dbraw/zinc/67/81/76/486678176.db2.gz YQZWRUZEYJHWHY-VQTJNVASSA-N 2 2 347.503 1.496 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000676242822 486701938 /nfs/dbraw/zinc/70/19/38/486701938.db2.gz AXEIZDMFXXOOCG-WMLDXEAASA-N 2 2 332.448 1.021 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676242822 486701940 /nfs/dbraw/zinc/70/19/40/486701940.db2.gz AXEIZDMFXXOOCG-WMLDXEAASA-N 2 2 332.448 1.021 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cn2c1 ZINC000676253392 486709699 /nfs/dbraw/zinc/70/96/99/486709699.db2.gz XAWVTQIRTGBZLU-UKRRQHHQSA-N 2 2 331.420 1.161 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cn2c1 ZINC000676253392 486709704 /nfs/dbraw/zinc/70/97/04/486709704.db2.gz XAWVTQIRTGBZLU-UKRRQHHQSA-N 2 2 331.420 1.161 20 0 EDADLP CCn1nccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000667408340 486767474 /nfs/dbraw/zinc/76/74/74/486767474.db2.gz QMNJPIIPUAWXPP-QGZVFWFLSA-N 2 2 348.495 1.213 20 0 EDADLP CCn1nccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000667408340 486767479 /nfs/dbraw/zinc/76/74/79/486767479.db2.gz QMNJPIIPUAWXPP-QGZVFWFLSA-N 2 2 348.495 1.213 20 0 EDADLP COc1cc(NC(=O)CCc2c[nH+]c[nH]2)ccc1OCC[NH+](C)C ZINC000416334827 486779776 /nfs/dbraw/zinc/77/97/76/486779776.db2.gz RNUVCAAHKWZPGJ-UHFFFAOYSA-N 2 2 332.404 1.930 20 0 EDADLP COc1cc(NC(=O)CCc2c[nH]c[nH+]2)ccc1OCC[NH+](C)C ZINC000416334827 486779781 /nfs/dbraw/zinc/77/97/81/486779781.db2.gz RNUVCAAHKWZPGJ-UHFFFAOYSA-N 2 2 332.404 1.930 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1)C1CC1 ZINC000667493770 486809492 /nfs/dbraw/zinc/80/94/92/486809492.db2.gz BOFHYKCTWOUINC-UHFFFAOYSA-N 2 2 325.416 1.758 20 0 EDADLP COc1cccnc1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000672819968 486810972 /nfs/dbraw/zinc/81/09/72/486810972.db2.gz LQTPQWWQAAUKMQ-UHFFFAOYSA-N 2 2 346.475 1.308 20 0 EDADLP Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)[NH+](C)C)[nH+]c12 ZINC000680604900 486825790 /nfs/dbraw/zinc/82/57/90/486825790.db2.gz CTJQRPSZBSBXTJ-JTQLQIEISA-N 2 2 339.237 1.972 20 0 EDADLP Cn1cc(C(=O)NCC2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)cn1 ZINC000667569761 486850472 /nfs/dbraw/zinc/85/04/72/486850472.db2.gz RVCYRYQSNTZAIN-UHFFFAOYSA-N 2 2 342.447 1.205 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCCOC[C@H]2C)CC1 ZINC000676711062 486851004 /nfs/dbraw/zinc/85/10/04/486851004.db2.gz PBYOWLMYECCLHN-GOSISDBHSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCCOC[C@H]2C)CC1 ZINC000676711062 486851009 /nfs/dbraw/zinc/85/10/09/486851009.db2.gz PBYOWLMYECCLHN-GOSISDBHSA-N 2 2 345.487 1.750 20 0 EDADLP C[C@H]1COCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000676715307 486852698 /nfs/dbraw/zinc/85/26/98/486852698.db2.gz UJAFZJHKKZJURG-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP C[C@H]1COCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000676715307 486852703 /nfs/dbraw/zinc/85/27/03/486852703.db2.gz UJAFZJHKKZJURG-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP CN1CCOc2ccc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cc21 ZINC000672966413 486858128 /nfs/dbraw/zinc/85/81/28/486858128.db2.gz IEUDYJVOYWKBAJ-UHFFFAOYSA-N 2 2 346.475 1.271 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000320718133 486956435 /nfs/dbraw/zinc/95/64/35/486956435.db2.gz LOVSVTAAHYTFMH-UHFFFAOYSA-N 2 2 335.839 1.727 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000320718133 486956442 /nfs/dbraw/zinc/95/64/42/486956442.db2.gz LOVSVTAAHYTFMH-UHFFFAOYSA-N 2 2 335.839 1.727 20 0 EDADLP CCOc1nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000681275147 486999942 /nfs/dbraw/zinc/99/99/42/486999942.db2.gz ZPPRQRSRUSUDGP-AWEZNQCLSA-N 2 2 336.436 1.314 20 0 EDADLP CCOc1nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000681275147 486999946 /nfs/dbraw/zinc/99/99/46/486999946.db2.gz ZPPRQRSRUSUDGP-AWEZNQCLSA-N 2 2 336.436 1.314 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000673484396 487017293 /nfs/dbraw/zinc/01/72/93/487017293.db2.gz JPBDFEFHZTUWOK-LJQANCHMSA-N 2 2 342.443 1.172 20 0 EDADLP Cc1cccn2c(NC(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)c[nH+]c12 ZINC000667954852 487031184 /nfs/dbraw/zinc/03/11/84/487031184.db2.gz MBBUNNDRCJFAGH-OAHLLOKOSA-N 2 2 343.431 1.829 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)o1 ZINC000684482402 487074363 /nfs/dbraw/zinc/07/43/63/487074363.db2.gz QDUHDBJCLBKVOR-GJZGRUSLSA-N 2 2 337.464 1.649 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)o1 ZINC000684482402 487074366 /nfs/dbraw/zinc/07/43/66/487074366.db2.gz QDUHDBJCLBKVOR-GJZGRUSLSA-N 2 2 337.464 1.649 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000668077000 487090255 /nfs/dbraw/zinc/09/02/55/487090255.db2.gz BPAJXXJXEOFWFO-OAHLLOKOSA-N 2 2 342.443 1.771 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000668077000 487090260 /nfs/dbraw/zinc/09/02/60/487090260.db2.gz BPAJXXJXEOFWFO-OAHLLOKOSA-N 2 2 342.443 1.771 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000681582609 487096714 /nfs/dbraw/zinc/09/67/14/487096714.db2.gz GTXMMPUZBCSALY-CVEARBPZSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1cn2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2n1 ZINC000668167458 487127007 /nfs/dbraw/zinc/12/70/07/487127007.db2.gz APAMPWFQRBMMSE-UHFFFAOYSA-N 3 2 332.452 1.648 20 0 EDADLP Cc1cn2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2n1 ZINC000668167458 487127011 /nfs/dbraw/zinc/12/70/11/487127011.db2.gz APAMPWFQRBMMSE-UHFFFAOYSA-N 3 2 332.452 1.648 20 0 EDADLP Cc1cn2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2[nH+]1 ZINC000668167458 487127015 /nfs/dbraw/zinc/12/70/15/487127015.db2.gz APAMPWFQRBMMSE-UHFFFAOYSA-N 3 2 332.452 1.648 20 0 EDADLP Cc1cn2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2[nH+]1 ZINC000668167458 487127019 /nfs/dbraw/zinc/12/70/19/487127019.db2.gz APAMPWFQRBMMSE-UHFFFAOYSA-N 3 2 332.452 1.648 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C(F)F)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000677735170 487160389 /nfs/dbraw/zinc/16/03/89/487160389.db2.gz ZRSIMTHMJITFFD-AWEZNQCLSA-N 2 2 343.443 1.979 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C(F)F)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000677735170 487160390 /nfs/dbraw/zinc/16/03/90/487160390.db2.gz ZRSIMTHMJITFFD-AWEZNQCLSA-N 2 2 343.443 1.979 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)ccn1 ZINC000684820939 487169192 /nfs/dbraw/zinc/16/91/92/487169192.db2.gz RXPNFGNOSMDNQR-UHFFFAOYSA-N 2 2 325.372 1.922 20 0 EDADLP CC(C)[C@@H](C(=O)NCC12CCC[NH+]1CCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000684849910 487177567 /nfs/dbraw/zinc/17/75/67/487177567.db2.gz SUHKSFUOZYDHLD-ZACQAIPSSA-N 2 2 337.508 1.865 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677987001 487220882 /nfs/dbraw/zinc/22/08/82/487220882.db2.gz AYPVMRNVGYZZAI-UHOSZYNNSA-N 2 2 347.503 1.573 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677987001 487220887 /nfs/dbraw/zinc/22/08/87/487220887.db2.gz AYPVMRNVGYZZAI-UHOSZYNNSA-N 2 2 347.503 1.573 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677987001 487220892 /nfs/dbraw/zinc/22/08/92/487220892.db2.gz AYPVMRNVGYZZAI-UHOSZYNNSA-N 2 2 347.503 1.573 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677987001 487220897 /nfs/dbraw/zinc/22/08/97/487220897.db2.gz AYPVMRNVGYZZAI-UHOSZYNNSA-N 2 2 347.503 1.573 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678051708 487234862 /nfs/dbraw/zinc/23/48/62/487234862.db2.gz RHZSHDWJKPJQJA-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678051708 487234865 /nfs/dbraw/zinc/23/48/65/487234865.db2.gz RHZSHDWJKPJQJA-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP CCc1nn(C)cc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000685460348 487279498 /nfs/dbraw/zinc/27/94/98/487279498.db2.gz REASNRZLYYGOEP-JWTNVVGKSA-N 2 2 331.508 1.725 20 0 EDADLP CCc1nn(C)cc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000685460348 487279501 /nfs/dbraw/zinc/27/95/01/487279501.db2.gz REASNRZLYYGOEP-JWTNVVGKSA-N 2 2 331.508 1.725 20 0 EDADLP CCc1nn(C)cc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000685460348 487279506 /nfs/dbraw/zinc/27/95/06/487279506.db2.gz REASNRZLYYGOEP-JWTNVVGKSA-N 2 2 331.508 1.725 20 0 EDADLP CCc1nn(C)cc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000685460348 487279509 /nfs/dbraw/zinc/27/95/09/487279509.db2.gz REASNRZLYYGOEP-JWTNVVGKSA-N 2 2 331.508 1.725 20 0 EDADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000678427161 487306968 /nfs/dbraw/zinc/30/69/68/487306968.db2.gz KNFPDUNWXNUQFS-ZWKOTPCHSA-N 2 2 332.492 1.756 20 0 EDADLP C[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000678593214 487339515 /nfs/dbraw/zinc/33/95/15/487339515.db2.gz QSDDEVONDGHOJZ-ZDUSSCGKSA-N 2 2 330.436 1.799 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3ccccc3CC2)CC1 ZINC000536227634 487354720 /nfs/dbraw/zinc/35/47/20/487354720.db2.gz QZOCSYSNYFIVCU-UHFFFAOYSA-N 2 2 344.503 1.823 20 0 EDADLP NC(=O)N1CCC([NH2+][C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000678929351 487379439 /nfs/dbraw/zinc/37/94/39/487379439.db2.gz GDPFIKMPIMFMME-LJQANCHMSA-N 2 2 346.475 1.146 20 0 EDADLP NC(=O)N1CCC([NH2+][C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000678929351 487379441 /nfs/dbraw/zinc/37/94/41/487379441.db2.gz GDPFIKMPIMFMME-LJQANCHMSA-N 2 2 346.475 1.146 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000675179311 487385369 /nfs/dbraw/zinc/38/53/69/487385369.db2.gz IGYYQTHULQKYBY-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000675199561 487388838 /nfs/dbraw/zinc/38/88/38/487388838.db2.gz KROKJZHGMSSMNK-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000679165736 487396812 /nfs/dbraw/zinc/39/68/12/487396812.db2.gz PMMBSQBJJTYCHG-WBVHZDCISA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000679165736 487396813 /nfs/dbraw/zinc/39/68/13/487396813.db2.gz PMMBSQBJJTYCHG-WBVHZDCISA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675781791 487443532 /nfs/dbraw/zinc/44/35/32/487443532.db2.gz AVTABGARZJHCKB-INIZCTEOSA-N 3 2 348.491 1.052 20 0 EDADLP Cc1ccc(CNC(=O)NCC[NH+]2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000679654124 487454308 /nfs/dbraw/zinc/45/43/08/487454308.db2.gz IXURWFGXZXZFNM-UHFFFAOYSA-N 2 2 347.463 1.122 20 0 EDADLP O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000683143446 487454544 /nfs/dbraw/zinc/45/45/44/487454544.db2.gz DJHNCXSAPBPBIW-AEFFLSMTSA-N 2 2 333.432 1.081 20 0 EDADLP Cn1cnc2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)ccc21 ZINC000372824128 485771192 /nfs/dbraw/zinc/77/11/92/485771192.db2.gz QSONWIOKBMWTCM-OAHLLOKOSA-N 2 2 341.459 1.472 20 0 EDADLP Cn1cnc2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)ccc21 ZINC000372824128 485771196 /nfs/dbraw/zinc/77/11/96/485771196.db2.gz QSONWIOKBMWTCM-OAHLLOKOSA-N 2 2 341.459 1.472 20 0 EDADLP Cc1nn(C(C)C)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000582854598 485835821 /nfs/dbraw/zinc/83/58/21/485835821.db2.gz RZVQDEHZDFEQAQ-UHFFFAOYSA-N 2 2 335.496 1.870 20 0 EDADLP Cc1nn(C(C)C)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000582854598 485835826 /nfs/dbraw/zinc/83/58/26/485835826.db2.gz RZVQDEHZDFEQAQ-UHFFFAOYSA-N 2 2 335.496 1.870 20 0 EDADLP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668591254 485927834 /nfs/dbraw/zinc/92/78/34/485927834.db2.gz QPIPQSFVQQPSLZ-HNNXBMFYSA-N 2 2 346.475 1.666 20 0 EDADLP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668591254 485927840 /nfs/dbraw/zinc/92/78/40/485927840.db2.gz QPIPQSFVQQPSLZ-HNNXBMFYSA-N 2 2 346.475 1.666 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC4(CCO4)CC3)C2)CC1 ZINC000669650077 485978299 /nfs/dbraw/zinc/97/82/99/485978299.db2.gz YTWWJNRHXHXXSF-OAHLLOKOSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC4(CCO4)CC3)C2)CC1 ZINC000669650077 485978304 /nfs/dbraw/zinc/97/83/04/485978304.db2.gz YTWWJNRHXHXXSF-OAHLLOKOSA-N 2 2 336.480 1.119 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC3([NH3+])CCC3)c[nH+]2)C[C@@H](C)O1 ZINC000237439997 485983578 /nfs/dbraw/zinc/98/35/78/485983578.db2.gz XXHOBJXVIUEABH-ZIAGYGMSSA-N 2 2 332.448 1.583 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000668661159 486009586 /nfs/dbraw/zinc/00/95/86/486009586.db2.gz RLESNCHAFAJTBT-KBPBESRZSA-N 2 2 339.509 1.073 20 0 EDADLP COCC[NH+]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000668667742 486018102 /nfs/dbraw/zinc/01/81/02/486018102.db2.gz GBZPCJGTIYXPGW-KRWDZBQOSA-N 2 2 342.443 1.722 20 0 EDADLP O=C(NCC[C@@H]1CCC[NH2+]C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000669388020 486022664 /nfs/dbraw/zinc/02/26/64/486022664.db2.gz VTSSYPMZTSFIRA-HNNXBMFYSA-N 2 2 331.464 1.739 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3-n3cncn3)CC2)C1 ZINC000668740032 486111938 /nfs/dbraw/zinc/11/19/38/486111938.db2.gz FTOTZBHSBFOXJY-KRWDZBQOSA-N 2 2 327.432 1.298 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3-n3cncn3)CC2)C1 ZINC000668740032 486111943 /nfs/dbraw/zinc/11/19/43/486111943.db2.gz FTOTZBHSBFOXJY-KRWDZBQOSA-N 2 2 327.432 1.298 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)C1 ZINC000668741697 486114450 /nfs/dbraw/zinc/11/44/50/486114450.db2.gz YQONOOGHTNLWBU-GOSISDBHSA-N 2 2 327.432 1.298 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)C1 ZINC000668741697 486114454 /nfs/dbraw/zinc/11/44/54/486114454.db2.gz YQONOOGHTNLWBU-GOSISDBHSA-N 2 2 327.432 1.298 20 0 EDADLP [NH3+]C/C=C/CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000669474541 486227946 /nfs/dbraw/zinc/22/79/46/486227946.db2.gz OLUAFQRXOLQPCJ-ZIYVKSGCSA-N 2 2 338.402 1.743 20 0 EDADLP [NH3+]C/C=C/CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000669474541 486227953 /nfs/dbraw/zinc/22/79/53/486227953.db2.gz OLUAFQRXOLQPCJ-ZIYVKSGCSA-N 2 2 338.402 1.743 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000668846571 486255967 /nfs/dbraw/zinc/25/59/67/486255967.db2.gz YKVWBSRPTOJGNF-NXHRZFHOSA-N 2 2 346.475 1.357 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000670075674 486598971 /nfs/dbraw/zinc/59/89/71/486598971.db2.gz ABZKNXCYKYAESB-HOCLYGCPSA-N 2 2 347.463 1.334 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C(F)(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450366548 491013879 /nfs/dbraw/zinc/01/38/79/491013879.db2.gz VJHKOKJBESKZQS-IACUBPJLSA-N 2 2 333.398 1.812 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C(F)(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450366548 491013881 /nfs/dbraw/zinc/01/38/81/491013881.db2.gz VJHKOKJBESKZQS-IACUBPJLSA-N 2 2 333.398 1.812 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)[NH+]2CCSCC2)o1 ZINC000131552241 533884217 /nfs/dbraw/zinc/88/42/17/533884217.db2.gz FTAIBIITLRFYGV-OAHLLOKOSA-N 2 2 339.505 1.916 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000183448501 534272999 /nfs/dbraw/zinc/27/29/99/534272999.db2.gz ZLZNMXZPVBEPHK-XJKSGUPXSA-N 2 2 333.432 1.874 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000183448501 534273000 /nfs/dbraw/zinc/27/30/00/534273000.db2.gz ZLZNMXZPVBEPHK-XJKSGUPXSA-N 2 2 333.432 1.874 20 0 EDADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000187521286 534742762 /nfs/dbraw/zinc/74/27/62/534742762.db2.gz MQPAFUBBHXVSSA-UHFFFAOYSA-N 2 2 346.353 1.391 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158601903 527063440 /nfs/dbraw/zinc/06/34/40/527063440.db2.gz KJRRTSLEINZFHH-QAPCUYQASA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158601903 527063444 /nfs/dbraw/zinc/06/34/44/527063444.db2.gz KJRRTSLEINZFHH-QAPCUYQASA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158601903 527063449 /nfs/dbraw/zinc/06/34/49/527063449.db2.gz KJRRTSLEINZFHH-QAPCUYQASA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158601903 527063452 /nfs/dbraw/zinc/06/34/52/527063452.db2.gz KJRRTSLEINZFHH-QAPCUYQASA-N 2 2 344.459 2.000 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1CCOCC1(C)C)c1ccccc1 ZINC000171482032 527865057 /nfs/dbraw/zinc/86/50/57/527865057.db2.gz IPNATOLYYSPVJP-KRWDZBQOSA-N 2 2 333.476 1.906 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1CCOCC1(C)C)c1ccccc1 ZINC000171482032 527865060 /nfs/dbraw/zinc/86/50/60/527865060.db2.gz IPNATOLYYSPVJP-KRWDZBQOSA-N 2 2 333.476 1.906 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000171482032 527865062 /nfs/dbraw/zinc/86/50/62/527865062.db2.gz IPNATOLYYSPVJP-KRWDZBQOSA-N 2 2 333.476 1.906 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000171482032 527865067 /nfs/dbraw/zinc/86/50/67/527865067.db2.gz IPNATOLYYSPVJP-KRWDZBQOSA-N 2 2 333.476 1.906 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1(C)C ZINC000187168351 528119628 /nfs/dbraw/zinc/11/96/28/528119628.db2.gz IVMWJTWNTPOZNR-HNAYVOBHSA-N 2 2 346.475 1.831 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)CC1 ZINC000079015330 535625767 /nfs/dbraw/zinc/62/57/67/535625767.db2.gz NGCLRLKMYMCOGQ-MRXNPFEDSA-N 2 2 345.422 1.996 20 0 EDADLP CN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1nccs1 ZINC000261877637 535990361 /nfs/dbraw/zinc/99/03/61/535990361.db2.gz YBQPVVIUGOEADF-CABCVRRESA-N 2 2 330.457 1.780 20 0 EDADLP CN(C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1nccs1 ZINC000261877637 535990363 /nfs/dbraw/zinc/99/03/63/535990363.db2.gz YBQPVVIUGOEADF-CABCVRRESA-N 2 2 330.457 1.780 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000071913060 536006252 /nfs/dbraw/zinc/00/62/52/536006252.db2.gz SNGHCHPGCLXKBU-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000345251454 536052678 /nfs/dbraw/zinc/05/26/78/536052678.db2.gz FCBZNVRWUOWVME-IRXDYDNUSA-N 2 2 347.507 1.810 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000345251454 536052683 /nfs/dbraw/zinc/05/26/83/536052683.db2.gz FCBZNVRWUOWVME-IRXDYDNUSA-N 2 2 347.507 1.810 20 0 EDADLP C[NH2+][C@@H](C)Cc1noc(Cc2c(C)[nH+]c3c(c(=O)[nH]n3C)c2C)n1 ZINC000261855453 536349347 /nfs/dbraw/zinc/34/93/47/536349347.db2.gz TXDAZWAAQIGDEJ-QMMMGPOBSA-N 2 2 330.392 1.003 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000237231893 536448026 /nfs/dbraw/zinc/44/80/26/536448026.db2.gz PHPHJYJIFXUDBK-WBMJQRKESA-N 2 2 346.431 1.498 20 0 EDADLP COc1cccc2c1n[nH]c2C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000345216042 536930171 /nfs/dbraw/zinc/93/01/71/536930171.db2.gz FXCFVYCQMHUVCW-UHFFFAOYSA-N 2 2 345.447 1.327 20 0 EDADLP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000726071809 578332151 /nfs/dbraw/zinc/33/21/51/578332151.db2.gz ORRXVNKDGPXFLW-CVEARBPZSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000726071809 578332152 /nfs/dbraw/zinc/33/21/52/578332152.db2.gz ORRXVNKDGPXFLW-CVEARBPZSA-N 2 2 341.496 1.822 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000726102948 578333276 /nfs/dbraw/zinc/33/32/76/578333276.db2.gz NOEXMWRHRRLFKV-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000726102948 578333277 /nfs/dbraw/zinc/33/32/77/578333277.db2.gz NOEXMWRHRRLFKV-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000726102945 578333366 /nfs/dbraw/zinc/33/33/66/578333366.db2.gz NOEXMWRHRRLFKV-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000726102945 578333368 /nfs/dbraw/zinc/33/33/68/578333368.db2.gz NOEXMWRHRRLFKV-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)N1CC[NH+](Cc2ccco2)CC1 ZINC000727070829 578513758 /nfs/dbraw/zinc/51/37/58/578513758.db2.gz ODVWMPFYQSCGGP-UHFFFAOYSA-N 2 2 338.521 1.860 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](CCCN2CCOC2=O)CC1 ZINC000729926934 578597821 /nfs/dbraw/zinc/59/78/21/578597821.db2.gz YIWUTGDHIXDVAP-UHFFFAOYSA-N 2 2 335.452 1.253 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+](CCCN2CCOC2=O)CC1 ZINC000729926934 578597822 /nfs/dbraw/zinc/59/78/22/578597822.db2.gz YIWUTGDHIXDVAP-UHFFFAOYSA-N 2 2 335.452 1.253 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000729922140 578600132 /nfs/dbraw/zinc/60/01/32/578600132.db2.gz WFMILUXFMYHWBG-GOSISDBHSA-N 2 2 342.443 1.541 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=S)NCC[NH+]1CCOCC1)C(C)(C)C ZINC000734765620 578833669 /nfs/dbraw/zinc/83/36/69/578833669.db2.gz MXSPPFPRAXZKRA-CQSZACIVSA-N 2 2 330.542 1.149 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737459188 579094039 /nfs/dbraw/zinc/09/40/39/579094039.db2.gz PDBCEFWSJVZFIU-MRXNPFEDSA-N 2 2 340.537 1.143 20 0 EDADLP C[NH+]1CCN(c2ccccc2NC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000738439053 579189169 /nfs/dbraw/zinc/18/91/69/579189169.db2.gz FISGRTUBPBVBET-UHFFFAOYSA-N 2 2 340.431 1.683 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000746649526 579605004 /nfs/dbraw/zinc/60/50/04/579605004.db2.gz OAUJXQUIQIRWNE-ZKXLYKBJSA-N 2 2 335.492 1.919 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000746649526 579605006 /nfs/dbraw/zinc/60/50/06/579605006.db2.gz OAUJXQUIQIRWNE-ZKXLYKBJSA-N 2 2 335.492 1.919 20 0 EDADLP C[C@@H]1CC[N@H+](CN2CCC3(CCOCC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000777537122 580443924 /nfs/dbraw/zinc/44/39/24/580443924.db2.gz SXDFYOXVLCBXIU-HZPDHXFCSA-N 2 2 332.448 1.753 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2CCC3(CCOCC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000777537122 580443925 /nfs/dbraw/zinc/44/39/25/580443925.db2.gz SXDFYOXVLCBXIU-HZPDHXFCSA-N 2 2 332.448 1.753 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000748452919 579686762 /nfs/dbraw/zinc/68/67/62/579686762.db2.gz JTYFTRDETBBXBG-OLZOCXBDSA-N 2 2 336.465 1.090 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000749207314 579716849 /nfs/dbraw/zinc/71/68/49/579716849.db2.gz LVQWDCYOXDVENP-JKSUJKDBSA-N 2 2 340.431 1.693 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000749207314 579716850 /nfs/dbraw/zinc/71/68/50/579716850.db2.gz LVQWDCYOXDVENP-JKSUJKDBSA-N 2 2 340.431 1.693 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c(N(C)C)[nH+]1 ZINC000750218564 579756167 /nfs/dbraw/zinc/75/61/67/579756167.db2.gz INMXFNPHOOILDK-CQSZACIVSA-N 2 2 347.463 1.385 20 0 EDADLP Cc1cc(-n2c(C)cn(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)c2=O)no1 ZINC000755789927 579935276 /nfs/dbraw/zinc/93/52/76/579935276.db2.gz OSEQHSCCSKRZKW-CQSZACIVSA-N 2 2 342.403 1.424 20 0 EDADLP Cc1cc(-n2c(C)cn(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)c2=O)no1 ZINC000755789927 579935277 /nfs/dbraw/zinc/93/52/77/579935277.db2.gz OSEQHSCCSKRZKW-CQSZACIVSA-N 2 2 342.403 1.424 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC000757665746 579969800 /nfs/dbraw/zinc/96/98/00/579969800.db2.gz OLLGRNFKFUEMMV-MLGOLLRUSA-N 2 2 332.448 1.989 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1C ZINC000757665746 579969801 /nfs/dbraw/zinc/96/98/01/579969801.db2.gz OLLGRNFKFUEMMV-MLGOLLRUSA-N 2 2 332.448 1.989 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000758236546 579978017 /nfs/dbraw/zinc/97/80/17/579978017.db2.gz CXPDQHZKXDATGT-QIIPPGSGSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000758236546 579978018 /nfs/dbraw/zinc/97/80/18/579978018.db2.gz CXPDQHZKXDATGT-QIIPPGSGSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1=O ZINC000758236546 579978019 /nfs/dbraw/zinc/97/80/19/579978019.db2.gz CXPDQHZKXDATGT-QIIPPGSGSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1=O ZINC000758236546 579978020 /nfs/dbraw/zinc/97/80/20/579978020.db2.gz CXPDQHZKXDATGT-QIIPPGSGSA-N 2 2 334.464 1.471 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cn1cnc(-c2ccccn2)n1 ZINC000762499754 580076018 /nfs/dbraw/zinc/07/60/18/580076018.db2.gz AHBADAYVLAXCAH-OIISXLGYSA-N 2 2 342.447 1.481 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cn1cnc(-c2ccccn2)n1 ZINC000762499754 580076019 /nfs/dbraw/zinc/07/60/19/580076019.db2.gz AHBADAYVLAXCAH-OIISXLGYSA-N 2 2 342.447 1.481 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765350723 580140384 /nfs/dbraw/zinc/14/03/84/580140384.db2.gz SMIXPKZYXZOEGB-CVEARBPZSA-N 2 2 341.459 1.432 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)CCO2 ZINC000766022639 580156892 /nfs/dbraw/zinc/15/68/92/580156892.db2.gz GKZALXPRVSITSQ-QFBILLFUSA-N 2 2 345.487 1.679 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000766144540 580160290 /nfs/dbraw/zinc/16/02/90/580160290.db2.gz OQBAHSLDTLUMAX-DLBZAZTESA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000766144540 580160291 /nfs/dbraw/zinc/16/02/91/580160291.db2.gz OQBAHSLDTLUMAX-DLBZAZTESA-N 2 2 335.423 1.098 20 0 EDADLP CCCn1c(CO)nn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000769842119 580246927 /nfs/dbraw/zinc/24/69/27/580246927.db2.gz PYFJZHPLFCXZLR-CYBMUJFWSA-N 2 2 336.465 1.807 20 0 EDADLP CCCn1c(CO)nn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000769842119 580246928 /nfs/dbraw/zinc/24/69/28/580246928.db2.gz PYFJZHPLFCXZLR-CYBMUJFWSA-N 2 2 336.465 1.807 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CN3CCSC3=S)CC2)CC1 ZINC000771174407 580281711 /nfs/dbraw/zinc/28/17/11/580281711.db2.gz JZLVTTUSKYXXLP-UHFFFAOYSA-N 2 2 342.578 1.768 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(CN3CCSC3=S)CC2)CC1 ZINC000771174407 580281712 /nfs/dbraw/zinc/28/17/12/580281712.db2.gz JZLVTTUSKYXXLP-UHFFFAOYSA-N 2 2 342.578 1.768 20 0 EDADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000773007250 580325132 /nfs/dbraw/zinc/32/51/32/580325132.db2.gz OSRZHSNIHVYQLE-PKOBYXMFSA-N 2 2 343.471 1.505 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c(N(C)C)[nH+]1 ZINC000779527715 580488027 /nfs/dbraw/zinc/48/80/27/580488027.db2.gz AFNHPBQSHVTPNL-UHFFFAOYSA-N 2 2 349.479 1.441 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccccc3CO)C2)CC1 ZINC000779776719 580496901 /nfs/dbraw/zinc/49/69/01/580496901.db2.gz OTCQUJKEWYQMFA-QGZVFWFLSA-N 2 2 331.460 1.006 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccccc3CO)C2)CC1 ZINC000779776719 580496902 /nfs/dbraw/zinc/49/69/02/580496902.db2.gz OTCQUJKEWYQMFA-QGZVFWFLSA-N 2 2 331.460 1.006 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000783775946 580606002 /nfs/dbraw/zinc/60/60/02/580606002.db2.gz KBRUQLJXVNCSMK-QXSJWSMHSA-N 2 2 339.480 1.344 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000783775946 580606003 /nfs/dbraw/zinc/60/60/03/580606003.db2.gz KBRUQLJXVNCSMK-QXSJWSMHSA-N 2 2 339.480 1.344 20 0 EDADLP CC[NH+](CC)CC1CC[NH+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783985978 580610289 /nfs/dbraw/zinc/61/02/89/580610289.db2.gz YUBUYUSCCJQEMO-KRWDZBQOSA-N 3 2 347.507 1.747 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000788313931 580717127 /nfs/dbraw/zinc/71/71/27/580717127.db2.gz RXGSQHUYZMIFAN-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000788313931 580717128 /nfs/dbraw/zinc/71/71/28/580717128.db2.gz RXGSQHUYZMIFAN-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH+](CC[S@](C)=O)CC1)C1CCCCC1 ZINC000791129114 580784812 /nfs/dbraw/zinc/78/48/12/580784812.db2.gz KALQDIDRJNAOEK-QHCPKHFHSA-N 2 2 343.537 1.164 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH+](CC[S@](C)=O)CC1)C1CCCCC1 ZINC000791129114 580784813 /nfs/dbraw/zinc/78/48/13/580784813.db2.gz KALQDIDRJNAOEK-QHCPKHFHSA-N 2 2 343.537 1.164 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000791622760 580796751 /nfs/dbraw/zinc/79/67/51/580796751.db2.gz QPZADDSJGPCIRJ-YTQUADARSA-N 2 2 343.471 1.298 20 0 EDADLP C[C@H]1CN(C(=O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000791622760 580796752 /nfs/dbraw/zinc/79/67/52/580796752.db2.gz QPZADDSJGPCIRJ-YTQUADARSA-N 2 2 343.471 1.298 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000791622760 580796753 /nfs/dbraw/zinc/79/67/53/580796753.db2.gz QPZADDSJGPCIRJ-YTQUADARSA-N 2 2 343.471 1.298 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000791622760 580796754 /nfs/dbraw/zinc/79/67/54/580796754.db2.gz QPZADDSJGPCIRJ-YTQUADARSA-N 2 2 343.471 1.298 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=S)NCC(C)(C)C[NH+](C)C ZINC000795134284 580914154 /nfs/dbraw/zinc/91/41/54/580914154.db2.gz ZHTISVLHJYPPJA-HUUCEWRRSA-N 2 2 342.553 1.244 20 0 EDADLP CCOC1CC2(C1)CC[N@H+](CN1C[C@@H](c3c[nH+]cn3C)CC1=O)C2 ZINC000795721603 580935307 /nfs/dbraw/zinc/93/53/07/580935307.db2.gz UTQMAZOIYBYQQE-SYJJWHGVSA-N 2 2 332.448 1.585 20 0 EDADLP CCOC1CC2(C1)CC[N@@H+](CN1C[C@@H](c3c[nH+]cn3C)CC1=O)C2 ZINC000795721603 580935308 /nfs/dbraw/zinc/93/53/08/580935308.db2.gz UTQMAZOIYBYQQE-SYJJWHGVSA-N 2 2 332.448 1.585 20 0 EDADLP CN(C(=O)c1occ2c1CCOC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000796387018 580952733 /nfs/dbraw/zinc/95/27/33/580952733.db2.gz WZUWOJWVWGMWAD-MRXNPFEDSA-N 2 2 347.459 1.593 20 0 EDADLP CN(C(=O)c1occ2c1CCOC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000796387018 580952734 /nfs/dbraw/zinc/95/27/34/580952734.db2.gz WZUWOJWVWGMWAD-MRXNPFEDSA-N 2 2 347.459 1.593 20 0 EDADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cn1 ZINC000799610737 581032734 /nfs/dbraw/zinc/03/27/34/581032734.db2.gz JEOAARXWYPHUDP-GOSISDBHSA-N 2 2 330.407 1.903 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C(F)(F)F ZINC000891904925 590681374 /nfs/dbraw/zinc/68/13/74/590681374.db2.gz DDAWVCZPWUHBOS-OPRDCNLKSA-N 2 2 331.342 1.046 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C(F)(F)F ZINC000891904925 590681377 /nfs/dbraw/zinc/68/13/77/590681377.db2.gz DDAWVCZPWUHBOS-OPRDCNLKSA-N 2 2 331.342 1.046 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000891947135 590700167 /nfs/dbraw/zinc/70/01/67/590700167.db2.gz DBAZYLVKXOLWBG-TZMCWYRMSA-N 2 2 327.270 1.711 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000891978795 590720861 /nfs/dbraw/zinc/72/08/61/590720861.db2.gz HEXMYPBRCXOSEU-WBVHZDCISA-N 2 2 327.432 1.923 20 0 EDADLP CN(C)c1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)nc[nH+]1 ZINC000891985545 590728147 /nfs/dbraw/zinc/72/81/47/590728147.db2.gz HAMBWFVWLZZKMG-UHFFFAOYSA-N 2 2 347.385 1.634 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H](C[NH3+])C3CC3)C2)cc1 ZINC000892027975 590757103 /nfs/dbraw/zinc/75/71/03/590757103.db2.gz OTDCOMQULCLXDR-QZTJIDSGSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H](C[NH3+])C3CC3)C2)cc1 ZINC000892027975 590757106 /nfs/dbraw/zinc/75/71/06/590757106.db2.gz OTDCOMQULCLXDR-QZTJIDSGSA-N 2 2 346.475 1.232 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892062752 590778247 /nfs/dbraw/zinc/77/82/47/590778247.db2.gz SMZUQFWBUUORKF-UHFFFAOYSA-N 2 2 345.419 1.028 20 0 EDADLP C[C@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000893354396 590799918 /nfs/dbraw/zinc/79/99/18/590799918.db2.gz KHDIGRZAJCAGAS-UONOGXRCSA-N 2 2 335.473 1.919 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000892290926 590918737 /nfs/dbraw/zinc/91/87/37/590918737.db2.gz VPVVHVWFOQPPPI-GOSISDBHSA-N 2 2 346.475 1.065 20 0 EDADLP CN1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)Cc2ccc[nH+]c21 ZINC000892376678 591000319 /nfs/dbraw/zinc/00/03/19/591000319.db2.gz BXTUKWCIKAKJLJ-HNNXBMFYSA-N 2 2 331.464 1.821 20 0 EDADLP CCn1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)nn1 ZINC000892487399 591045309 /nfs/dbraw/zinc/04/53/09/591045309.db2.gz JFVUHIITFKCGFY-UHFFFAOYSA-N 2 2 342.491 1.908 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000891329685 591047886 /nfs/dbraw/zinc/04/78/86/591047886.db2.gz CFCYUWFJSZBEFF-OWCLPIDISA-N 2 2 343.406 1.794 20 0 EDADLP [NH3+]C[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892513712 591054321 /nfs/dbraw/zinc/05/43/21/591054321.db2.gz INKKENJVDQYAEC-HNNXBMFYSA-N 2 2 349.504 1.658 20 0 EDADLP COc1ccc([C@H](CNc2nc(N)cc(C)[nH+]2)[NH+]2CCOCC2)cc1 ZINC000891487592 591090789 /nfs/dbraw/zinc/09/07/89/591090789.db2.gz XDZXRYISNSFWIS-INIZCTEOSA-N 2 2 343.431 1.861 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)[C@H](C)C[NH3+])C2)c1 ZINC000892609524 591093545 /nfs/dbraw/zinc/09/35/45/591093545.db2.gz QUOQRPMHVWYDDJ-NVXWUHKLSA-N 2 2 334.464 1.184 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)[C@H](C)C[NH3+])C2)c1 ZINC000892609524 591093550 /nfs/dbraw/zinc/09/35/50/591093550.db2.gz QUOQRPMHVWYDDJ-NVXWUHKLSA-N 2 2 334.464 1.184 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC(C)(C)C[NH3+])C2)cc1 ZINC000892611262 591095175 /nfs/dbraw/zinc/09/51/75/591095175.db2.gz MPGIRCBPQGJRAF-MRXNPFEDSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC(C)(C)C[NH3+])C2)cc1 ZINC000892611262 591095180 /nfs/dbraw/zinc/09/51/80/591095180.db2.gz MPGIRCBPQGJRAF-MRXNPFEDSA-N 2 2 334.464 1.232 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCOCC1 ZINC000891518889 591104948 /nfs/dbraw/zinc/10/49/48/591104948.db2.gz VLUGQKRGOVFTBH-HDMKZQKVSA-N 2 2 346.475 1.109 20 0 EDADLP CCCN(CC(F)(F)F)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000893867848 591120786 /nfs/dbraw/zinc/12/07/86/591120786.db2.gz RRMDCGMBGFALOL-UHFFFAOYSA-N 2 2 338.418 1.996 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000892769916 591170035 /nfs/dbraw/zinc/17/00/35/591170035.db2.gz DPVJZCHUVNINPS-UHFFFAOYSA-N 2 2 345.447 1.750 20 0 EDADLP CCc1[nH]c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C(=O)OC ZINC000894014889 591171161 /nfs/dbraw/zinc/17/11/61/591171161.db2.gz UFLDRTAJOWZMQK-MRXNPFEDSA-N 2 2 348.491 1.576 20 0 EDADLP CCc1[nH]c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C(=O)OC ZINC000894014889 591171163 /nfs/dbraw/zinc/17/11/63/591171163.db2.gz UFLDRTAJOWZMQK-MRXNPFEDSA-N 2 2 348.491 1.576 20 0 EDADLP CO[C@@H](C)CC[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892807821 591186638 /nfs/dbraw/zinc/18/66/38/591186638.db2.gz XFICPLVLUMMBDW-AWEZNQCLSA-N 2 2 329.485 1.990 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000891704664 591192816 /nfs/dbraw/zinc/19/28/16/591192816.db2.gz IBAUQBVMRJDACD-UHFFFAOYSA-N 2 2 344.463 1.997 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1c(I)cnn1C ZINC000894174090 591216850 /nfs/dbraw/zinc/21/68/50/591216850.db2.gz OLSULGDCWHXXBU-VIFPVBQESA-N 2 2 345.188 1.400 20 0 EDADLP Cc1ncoc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000894206064 591228573 /nfs/dbraw/zinc/22/85/73/591228573.db2.gz FATZWYDTLQXUST-UHFFFAOYSA-N 2 2 331.416 1.984 20 0 EDADLP O=C1NCC2(CCOCC2)[C@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000895771638 591270507 /nfs/dbraw/zinc/27/05/07/591270507.db2.gz MMYLYARAJMZSEJ-ZDUSSCGKSA-N 2 2 349.397 1.288 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000896325395 591418984 /nfs/dbraw/zinc/41/89/84/591418984.db2.gz PPTHVAQYPXIAJN-HNNXBMFYSA-N 3 2 333.480 1.211 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000896325395 591418988 /nfs/dbraw/zinc/41/89/88/591418988.db2.gz PPTHVAQYPXIAJN-HNNXBMFYSA-N 3 2 333.480 1.211 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000898585424 591423409 /nfs/dbraw/zinc/42/34/09/591423409.db2.gz WYGGLFIQRBXRFE-UHFFFAOYSA-N 2 2 344.459 1.409 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)n[nH]1 ZINC000909410394 591445199 /nfs/dbraw/zinc/44/51/99/591445199.db2.gz CRNYJQJMHHLUEY-QZTJIDSGSA-N 2 2 339.443 1.963 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)n[nH]1 ZINC000909410394 591445201 /nfs/dbraw/zinc/44/52/01/591445201.db2.gz CRNYJQJMHHLUEY-QZTJIDSGSA-N 2 2 339.443 1.963 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000894874859 591453257 /nfs/dbraw/zinc/45/32/57/591453257.db2.gz SBGNNBOKKCVYFQ-HNNXBMFYSA-N 2 2 327.469 1.290 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000894874859 591453260 /nfs/dbraw/zinc/45/32/60/591453260.db2.gz SBGNNBOKKCVYFQ-HNNXBMFYSA-N 2 2 327.469 1.290 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000896633880 591560294 /nfs/dbraw/zinc/56/02/94/591560294.db2.gz VFUGGGGOOPTICX-OAHLLOKOSA-N 2 2 328.501 1.326 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000898892123 591582973 /nfs/dbraw/zinc/58/29/73/591582973.db2.gz NIYFQDRCOFRAIK-ZOBUZTSGSA-N 2 2 328.416 1.263 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000898892123 591582976 /nfs/dbraw/zinc/58/29/76/591582976.db2.gz NIYFQDRCOFRAIK-ZOBUZTSGSA-N 2 2 328.416 1.263 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000898895476 591590060 /nfs/dbraw/zinc/59/00/60/591590060.db2.gz OXBAZTCLPTWVTD-MRXNPFEDSA-N 2 2 328.416 1.479 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896940011 591689579 /nfs/dbraw/zinc/68/95/79/591689579.db2.gz RPEQEWXZMLXAFJ-BBRMVZONSA-N 2 2 337.468 1.263 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896940011 591689581 /nfs/dbraw/zinc/68/95/81/591689581.db2.gz RPEQEWXZMLXAFJ-BBRMVZONSA-N 2 2 337.468 1.263 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000896940011 591689584 /nfs/dbraw/zinc/68/95/84/591689584.db2.gz RPEQEWXZMLXAFJ-BBRMVZONSA-N 2 2 337.468 1.263 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000896940011 591689586 /nfs/dbraw/zinc/68/95/86/591689586.db2.gz RPEQEWXZMLXAFJ-BBRMVZONSA-N 2 2 337.468 1.263 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@@H]2CC23CC(O)C3)CC1 ZINC000897842641 591692032 /nfs/dbraw/zinc/69/20/32/591692032.db2.gz XVNLFLYCIWGEAX-SWKXRBFHSA-N 2 2 339.480 1.479 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000895313799 591710252 /nfs/dbraw/zinc/71/02/52/591710252.db2.gz MYBVGHTZOIGBLA-MRXNPFEDSA-N 2 2 341.496 1.726 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897219964 591773882 /nfs/dbraw/zinc/77/38/82/591773882.db2.gz QUDGJGJMSPULQJ-GJZGRUSLSA-N 2 2 332.448 1.706 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897219964 591773885 /nfs/dbraw/zinc/77/38/85/591773885.db2.gz QUDGJGJMSPULQJ-GJZGRUSLSA-N 2 2 332.448 1.706 20 0 EDADLP CC1(C)CC[N@@H+](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000897249473 591786680 /nfs/dbraw/zinc/78/66/80/591786680.db2.gz VWLJHGCPVDJEFV-OAHLLOKOSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)CCN1c1cc[nH+]cc1 ZINC000895557436 591801273 /nfs/dbraw/zinc/80/12/73/591801273.db2.gz QGURKECWMSFENI-AWEZNQCLSA-N 2 2 327.432 1.822 20 0 EDADLP CC[C@H](CO)Nc1cc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc[nH+]1 ZINC000895563558 591803609 /nfs/dbraw/zinc/80/36/09/591803609.db2.gz BHBCSAHGLIDOKS-HZSPNIEDSA-N 2 2 337.493 1.651 20 0 EDADLP CC[C@H](CO)Nc1cc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)nc[nH+]1 ZINC000895563558 591803612 /nfs/dbraw/zinc/80/36/12/591803612.db2.gz BHBCSAHGLIDOKS-HZSPNIEDSA-N 2 2 337.493 1.651 20 0 EDADLP COc1cccc([C@H](CNC(=O)Cc2c[nH]c[nH+]2)[NH+]2CCCC2)c1 ZINC000899968101 591848289 /nfs/dbraw/zinc/84/82/89/591848289.db2.gz CVQRJDMIVSEGOB-KRWDZBQOSA-N 2 2 328.416 1.914 20 0 EDADLP COc1cccc([C@H](CNC(=O)Cc2c[nH+]c[nH]2)[NH+]2CCCC2)c1 ZINC000899968101 591848293 /nfs/dbraw/zinc/84/82/93/591848293.db2.gz CVQRJDMIVSEGOB-KRWDZBQOSA-N 2 2 328.416 1.914 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n[nH]1 ZINC000899969041 591848924 /nfs/dbraw/zinc/84/89/24/591848924.db2.gz JNKFRRKRIRIPAC-PBHICJAKSA-N 2 2 347.463 1.113 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n[nH]1 ZINC000899969041 591848930 /nfs/dbraw/zinc/84/89/30/591848930.db2.gz JNKFRRKRIRIPAC-PBHICJAKSA-N 2 2 347.463 1.113 20 0 EDADLP C[N@H+](CCN1CC[NH+](CN2C[C@@H]3C[C@@H]3C2=O)CC1)Cc1ccccc1 ZINC000902121411 591923565 /nfs/dbraw/zinc/92/35/65/591923565.db2.gz GPCWYUVTZJQMTE-OALUTQOASA-N 2 2 342.487 1.172 20 0 EDADLP C[N@@H+](CCN1CC[NH+](CN2C[C@@H]3C[C@@H]3C2=O)CC1)Cc1ccccc1 ZINC000902121411 591923569 /nfs/dbraw/zinc/92/35/69/591923569.db2.gz GPCWYUVTZJQMTE-OALUTQOASA-N 2 2 342.487 1.172 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000902186293 591935011 /nfs/dbraw/zinc/93/50/11/591935011.db2.gz RTPUGJUXDGEEIR-GLJHEFQWSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000902186293 591935013 /nfs/dbraw/zinc/93/50/13/591935013.db2.gz RTPUGJUXDGEEIR-GLJHEFQWSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000902186293 591935014 /nfs/dbraw/zinc/93/50/14/591935014.db2.gz RTPUGJUXDGEEIR-GLJHEFQWSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000902186293 591935016 /nfs/dbraw/zinc/93/50/16/591935016.db2.gz RTPUGJUXDGEEIR-GLJHEFQWSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000902186696 591935129 /nfs/dbraw/zinc/93/51/29/591935129.db2.gz WHSUWDIHIRARKX-UWGWQUPMSA-N 2 2 343.471 1.557 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000902186696 591935133 /nfs/dbraw/zinc/93/51/33/591935133.db2.gz WHSUWDIHIRARKX-UWGWQUPMSA-N 2 2 343.471 1.557 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000902186696 591935137 /nfs/dbraw/zinc/93/51/37/591935137.db2.gz WHSUWDIHIRARKX-UWGWQUPMSA-N 2 2 343.471 1.557 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000902186696 591935139 /nfs/dbraw/zinc/93/51/39/591935139.db2.gz WHSUWDIHIRARKX-UWGWQUPMSA-N 2 2 343.471 1.557 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1nnc(-c2cscn2)n1 ZINC000902239505 591953013 /nfs/dbraw/zinc/95/30/13/591953013.db2.gz VBEYGHDKFQMWIF-UHFFFAOYSA-N 2 2 346.464 1.925 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1nnc(-c2cscn2)n1 ZINC000902239505 591953016 /nfs/dbraw/zinc/95/30/16/591953016.db2.gz VBEYGHDKFQMWIF-UHFFFAOYSA-N 2 2 346.464 1.925 20 0 EDADLP C/C(=C/C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900299276 591979605 /nfs/dbraw/zinc/97/96/05/591979605.db2.gz CZJZRNKKKCFHOV-BLMOFCDVSA-N 2 2 345.487 1.554 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+]1CCN(c3cc[nH+]cc3)[C@H](C)C1)C2=O ZINC000902366951 591981008 /nfs/dbraw/zinc/98/10/08/591981008.db2.gz AVSHZMFBSRBRIY-SIXWZSSISA-N 2 2 342.443 1.581 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+]1CCN(c3cc[nH+]cc3)[C@H](C)C1)C2=O ZINC000902366951 591981012 /nfs/dbraw/zinc/98/10/12/591981012.db2.gz AVSHZMFBSRBRIY-SIXWZSSISA-N 2 2 342.443 1.581 20 0 EDADLP C/C(=C/C(=O)N1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000900365793 591997908 /nfs/dbraw/zinc/99/79/08/591997908.db2.gz YDRVHDQDXCWHBF-ICFOKQHNSA-N 2 2 335.492 1.742 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000900450203 592020757 /nfs/dbraw/zinc/02/07/57/592020757.db2.gz YDWSGGXAXAHSKP-UHFFFAOYSA-N 2 2 333.480 1.463 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000900464746 592026120 /nfs/dbraw/zinc/02/61/20/592026120.db2.gz MDLIAWGROKZVKN-UHFFFAOYSA-N 2 2 327.432 1.513 20 0 EDADLP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CNc1cccc[nH+]1 ZINC000900480518 592030306 /nfs/dbraw/zinc/03/03/06/592030306.db2.gz GLAWQXUQUXQFCI-UHFFFAOYSA-N 2 2 336.436 1.225 20 0 EDADLP COc1cc(CO)ccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693421 592096763 /nfs/dbraw/zinc/09/67/63/592096763.db2.gz RTZHWMYAAAQDHW-UHFFFAOYSA-N 2 2 349.475 1.286 20 0 EDADLP COc1cc(CO)ccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693421 592096766 /nfs/dbraw/zinc/09/67/66/592096766.db2.gz RTZHWMYAAAQDHW-UHFFFAOYSA-N 2 2 349.475 1.286 20 0 EDADLP C/C(=C\C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900784159 592123115 /nfs/dbraw/zinc/12/31/15/592123115.db2.gz QPFGHTOFDHCCKW-WBWKYDSYSA-N 2 2 335.492 1.742 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178888 592131296 /nfs/dbraw/zinc/13/12/96/592131296.db2.gz ZXAIXMYXEUOYGY-GJZGRUSLSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178888 592131299 /nfs/dbraw/zinc/13/12/99/592131299.db2.gz ZXAIXMYXEUOYGY-GJZGRUSLSA-N 2 2 341.496 1.869 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000903299863 592153204 /nfs/dbraw/zinc/15/32/04/592153204.db2.gz CCWQUMVPXCCCOO-LZWOXQAQSA-N 2 2 339.480 1.249 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000903299863 592153205 /nfs/dbraw/zinc/15/32/05/592153205.db2.gz CCWQUMVPXCCCOO-LZWOXQAQSA-N 2 2 339.480 1.249 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903301281 592153306 /nfs/dbraw/zinc/15/33/06/592153306.db2.gz PNFHFNWHAVLGOW-YDHLFZDLSA-N 2 2 325.478 1.694 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903301281 592153307 /nfs/dbraw/zinc/15/33/07/592153307.db2.gz PNFHFNWHAVLGOW-YDHLFZDLSA-N 2 2 325.478 1.694 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903457430 592173992 /nfs/dbraw/zinc/17/39/92/592173992.db2.gz SFPWQHTWNLTCAI-SCDSUCTJSA-N 2 2 340.265 1.763 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903457430 592173993 /nfs/dbraw/zinc/17/39/93/592173993.db2.gz SFPWQHTWNLTCAI-SCDSUCTJSA-N 2 2 340.265 1.763 20 0 EDADLP CC1(C)CNC(=O)[C@H]1[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000903479557 592176746 /nfs/dbraw/zinc/17/67/46/592176746.db2.gz LHDKUVHGURDLSD-GZMMTYOYSA-N 2 2 327.226 1.075 20 0 EDADLP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)C23CC[NH+](CC2)C3)c2cccs2)CCO1 ZINC000900939878 592179913 /nfs/dbraw/zinc/17/99/13/592179913.db2.gz BHKKKGVQYTVZDY-CABCVRRESA-N 2 2 349.500 1.722 20 0 EDADLP C[C@@H]1C[N@H+]([C@@H](CNC(=O)C23CC[NH+](CC2)C3)c2cccs2)CCO1 ZINC000900939878 592179915 /nfs/dbraw/zinc/17/99/15/592179915.db2.gz BHKKKGVQYTVZDY-CABCVRRESA-N 2 2 349.500 1.722 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000901039203 592207421 /nfs/dbraw/zinc/20/74/21/592207421.db2.gz FJPXVHDSPCSPNH-ROUUACIJSA-N 2 2 347.507 1.709 20 0 EDADLP Cc1ccnc2c1cccc2S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565452 592212083 /nfs/dbraw/zinc/21/20/83/592212083.db2.gz LJEGUOMLZIZFGX-UHFFFAOYSA-N 2 2 348.472 1.245 20 0 EDADLP C/C(=C/C(=O)N1CCCC2(CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000907960775 592234853 /nfs/dbraw/zinc/23/48/53/592234853.db2.gz VBCKHCIVZYTCLF-VKAVYKQESA-N 2 2 335.492 1.599 20 0 EDADLP C[C@@]1(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)CCC[NH2+]C1 ZINC000904346800 592235348 /nfs/dbraw/zinc/23/53/48/592235348.db2.gz XYGBVLZMOHZUFX-QGZVFWFLSA-N 2 2 337.489 1.658 20 0 EDADLP C[C@@]1(C[N@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)CCC[NH2+]C1 ZINC000904346800 592235350 /nfs/dbraw/zinc/23/53/50/592235350.db2.gz XYGBVLZMOHZUFX-QGZVFWFLSA-N 2 2 337.489 1.658 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(N)nn3)c2)CCO1 ZINC000904367030 592239384 /nfs/dbraw/zinc/23/93/84/592239384.db2.gz UOZNEZCYQDBEIF-AWEZNQCLSA-N 2 2 327.432 1.569 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(N)nn3)c2)CCO1 ZINC000904367030 592239388 /nfs/dbraw/zinc/23/93/88/592239388.db2.gz UOZNEZCYQDBEIF-AWEZNQCLSA-N 2 2 327.432 1.569 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904385002 592248665 /nfs/dbraw/zinc/24/86/65/592248665.db2.gz RMKUDAZJYRZXCD-NWANDNLSSA-N 2 2 331.420 1.241 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000904385402 592248728 /nfs/dbraw/zinc/24/87/28/592248728.db2.gz XPINGKALLPCWQQ-AWEZNQCLSA-N 2 2 333.436 1.346 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)c1cccn1CC[NH+]1CCOCC1 ZINC000906676530 592256532 /nfs/dbraw/zinc/25/65/32/592256532.db2.gz MTRUQVJEYYQIGQ-UHFFFAOYSA-N 2 2 345.447 1.227 20 0 EDADLP Cn1cnc([C@@H]2CN(Cc3c[nH+]c4ccc(Cl)cn34)C[C@H]2[NH3+])c1 ZINC000904495349 592266787 /nfs/dbraw/zinc/26/67/87/592266787.db2.gz MCQBIGARGUSWDV-ZIAGYGMSSA-N 2 2 330.823 1.648 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000901189828 592270346 /nfs/dbraw/zinc/27/03/46/592270346.db2.gz ITPSITQSJDUJLQ-QGZVFWFLSA-N 2 2 345.491 1.193 20 0 EDADLP C/C(=C\C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000901203465 592285553 /nfs/dbraw/zinc/28/55/53/592285553.db2.gz QKHKEWQLKDUPSD-QCUIPMNBSA-N 2 2 335.492 1.455 20 0 EDADLP Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903755703 592313794 /nfs/dbraw/zinc/31/37/94/592313794.db2.gz KOIREUDPUATPRS-SUMDDJOVSA-N 2 2 329.444 1.237 20 0 EDADLP Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903755703 592313800 /nfs/dbraw/zinc/31/38/00/592313800.db2.gz KOIREUDPUATPRS-SUMDDJOVSA-N 2 2 329.444 1.237 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC([NH+]3CCCCC3)CC2)cnn1C ZINC000903878388 592358824 /nfs/dbraw/zinc/35/88/24/592358824.db2.gz HZYQZYYQZIGRRC-KRWDZBQOSA-N 3 2 333.524 1.796 20 0 EDADLP OC[C@@H]1c2ccccc2CC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903895155 592367424 /nfs/dbraw/zinc/36/74/24/592367424.db2.gz KWBNIXBDNWHAJX-MAUKXSAKSA-N 2 2 327.432 1.294 20 0 EDADLP OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903895155 592367429 /nfs/dbraw/zinc/36/74/29/592367429.db2.gz KWBNIXBDNWHAJX-MAUKXSAKSA-N 2 2 327.432 1.294 20 0 EDADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(C[C@@H]([NH3+])CC(F)F)CC2)n1 ZINC000903898723 592369328 /nfs/dbraw/zinc/36/93/28/592369328.db2.gz ODTOPELVVFTTGL-NEPJUHHUSA-N 2 2 347.410 1.267 20 0 EDADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(C[C@@H]([NH3+])CC(F)F)CC2)n1 ZINC000903898723 592369334 /nfs/dbraw/zinc/36/93/34/592369334.db2.gz ODTOPELVVFTTGL-NEPJUHHUSA-N 2 2 347.410 1.267 20 0 EDADLP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCN1CC(F)F ZINC000903899718 592370095 /nfs/dbraw/zinc/37/00/95/592370095.db2.gz XDYWQSTVHVPMAB-GDBMZVCRSA-N 2 2 343.466 1.507 20 0 EDADLP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCN1CC(F)F ZINC000903899718 592370099 /nfs/dbraw/zinc/37/00/99/592370099.db2.gz XDYWQSTVHVPMAB-GDBMZVCRSA-N 2 2 343.466 1.507 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cnn1C ZINC000903903893 592371630 /nfs/dbraw/zinc/37/16/30/592371630.db2.gz YJQZEKNRKGGIMM-ICSRJNTNSA-N 2 2 342.487 1.789 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cnn1C ZINC000903903893 592371635 /nfs/dbraw/zinc/37/16/35/592371635.db2.gz YJQZEKNRKGGIMM-ICSRJNTNSA-N 2 2 342.487 1.789 20 0 EDADLP COC(=O)[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](C(=O)OC)C1 ZINC000903902883 592371764 /nfs/dbraw/zinc/37/17/64/592371764.db2.gz PALQMQOZLFPSQF-CXAGYDPISA-N 2 2 346.427 1.259 20 0 EDADLP COC(=O)[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H](C(=O)OC)C1 ZINC000903902883 592371770 /nfs/dbraw/zinc/37/17/70/592371770.db2.gz PALQMQOZLFPSQF-CXAGYDPISA-N 2 2 346.427 1.259 20 0 EDADLP CCc1nc[nH]c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000906822416 592372415 /nfs/dbraw/zinc/37/24/15/592372415.db2.gz HCPNFELDLLKKCZ-UHFFFAOYSA-N 2 2 333.480 1.652 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCOC[C@H]2c2ccccc2)cnn1C ZINC000903910366 592374601 /nfs/dbraw/zinc/37/46/01/592374601.db2.gz LWUSYGFAGYYFFJ-APWZRJJASA-N 2 2 328.460 1.919 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCOC[C@H]2c2ccccc2)cnn1C ZINC000903910366 592374604 /nfs/dbraw/zinc/37/46/04/592374604.db2.gz LWUSYGFAGYYFFJ-APWZRJJASA-N 2 2 328.460 1.919 20 0 EDADLP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918325 592375785 /nfs/dbraw/zinc/37/57/85/592375785.db2.gz WSYAPHZZDWXMJP-CRAIPNDOSA-N 2 2 349.479 1.900 20 0 EDADLP CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918325 592375790 /nfs/dbraw/zinc/37/57/90/592375790.db2.gz WSYAPHZZDWXMJP-CRAIPNDOSA-N 2 2 349.479 1.900 20 0 EDADLP [NH3+][C@H](C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)CC(F)F ZINC000903925549 592379283 /nfs/dbraw/zinc/37/92/83/592379283.db2.gz GPXZSNRUDPCYBD-LSDHHAIUSA-N 2 2 341.402 1.029 20 0 EDADLP CN(C)c1cc(NC(=O)c2cccn2CC[NH+]2CCOCC2)cc[nH+]1 ZINC000906902362 592394979 /nfs/dbraw/zinc/39/49/79/592394979.db2.gz KLPPNGQGYHSYPH-UHFFFAOYSA-N 2 2 343.431 1.534 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccc2cc[nH]c2c1 ZINC000905076561 592404140 /nfs/dbraw/zinc/40/41/40/592404140.db2.gz QGCONVZNWHATSP-LZLYRXPVSA-N 2 2 345.443 1.360 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccc2cc[nH]c2c1 ZINC000905076561 592404143 /nfs/dbraw/zinc/40/41/43/592404143.db2.gz QGCONVZNWHATSP-LZLYRXPVSA-N 2 2 345.443 1.360 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)n1C ZINC000905109913 592410727 /nfs/dbraw/zinc/41/07/27/592410727.db2.gz KHKVHPIEFNHUMZ-IAGOWNOFSA-N 2 2 332.448 1.450 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C[C@@]1(O)CCOC1 ZINC000905116661 592414385 /nfs/dbraw/zinc/41/43/85/592414385.db2.gz IHNXQSNAZRXOPE-QYZOEREBSA-N 2 2 334.460 1.143 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C[C@@]1(O)CCOC1 ZINC000905116661 592414386 /nfs/dbraw/zinc/41/43/86/592414386.db2.gz IHNXQSNAZRXOPE-QYZOEREBSA-N 2 2 334.460 1.143 20 0 EDADLP [NH3+]CCCn1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000904099177 592425109 /nfs/dbraw/zinc/42/51/09/592425109.db2.gz LPQXCEYYUBUMKZ-GXTWGEPZSA-N 2 2 332.408 1.208 20 0 EDADLP [NH3+]CCCn1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)n1 ZINC000904099177 592425110 /nfs/dbraw/zinc/42/51/10/592425110.db2.gz LPQXCEYYUBUMKZ-GXTWGEPZSA-N 2 2 332.408 1.208 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c(C)[nH+]1 ZINC000906999363 592469542 /nfs/dbraw/zinc/46/95/42/592469542.db2.gz WMATUZFXZYAPRO-QGZVFWFLSA-N 2 2 347.459 1.570 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000904304026 592472374 /nfs/dbraw/zinc/47/23/74/592472374.db2.gz PEUVLUUWAPXXEN-VQIMIIECSA-N 2 2 344.459 1.864 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C[C@@]1(O)CCOC1 ZINC000905408903 592523668 /nfs/dbraw/zinc/52/36/68/592523668.db2.gz MTFCKRDDOAGUSB-ZCNNSNEGSA-N 2 2 348.487 1.533 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C[C@@]1(O)CCOC1 ZINC000905408903 592523669 /nfs/dbraw/zinc/52/36/69/592523669.db2.gz MTFCKRDDOAGUSB-ZCNNSNEGSA-N 2 2 348.487 1.533 20 0 EDADLP CC(C)CC[C@H](O)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905445989 592527716 /nfs/dbraw/zinc/52/77/16/592527716.db2.gz ALRWDUFFWRYXTR-ROUUACIJSA-N 2 2 327.513 1.170 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000905448244 592528885 /nfs/dbraw/zinc/52/88/85/592528885.db2.gz BJJKLTFXTKLEKD-ZWKOTPCHSA-N 2 2 331.460 1.080 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000905448244 592528887 /nfs/dbraw/zinc/52/88/87/592528887.db2.gz BJJKLTFXTKLEKD-ZWKOTPCHSA-N 2 2 331.460 1.080 20 0 EDADLP CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000908591425 592556565 /nfs/dbraw/zinc/55/65/65/592556565.db2.gz WHKZIEYGUFIRFS-UHFFFAOYSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000905542349 592557125 /nfs/dbraw/zinc/55/71/25/592557125.db2.gz JBOXYZHYBWMKKU-RVKKMQEKSA-N 2 2 341.496 1.821 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000905542349 592557126 /nfs/dbraw/zinc/55/71/26/592557126.db2.gz JBOXYZHYBWMKKU-RVKKMQEKSA-N 2 2 341.496 1.821 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]Cc2cc(N(C)C)cc[nH+]2)c1 ZINC000905526142 592561486 /nfs/dbraw/zinc/56/14/86/592561486.db2.gz RZVKBJPTOCMHFV-QGZVFWFLSA-N 2 2 331.416 1.988 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)c2cc1C ZINC000905573506 592570845 /nfs/dbraw/zinc/57/08/45/592570845.db2.gz WDKLFSIEEIMIMW-DRMAHVMPSA-N 2 2 345.443 1.408 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(F)c(F)c1 ZINC000905617474 592595335 /nfs/dbraw/zinc/59/53/35/592595335.db2.gz DMXIYHDQRUZEHJ-PBHICJAKSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(F)c(F)c1 ZINC000905617474 592595338 /nfs/dbraw/zinc/59/53/38/592595338.db2.gz DMXIYHDQRUZEHJ-PBHICJAKSA-N 2 2 326.387 1.841 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCCC[C@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000905682703 592611157 /nfs/dbraw/zinc/61/11/57/592611157.db2.gz NRMLPSWYOUXHKF-FRQCXROJSA-N 2 2 345.491 1.654 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCCC[C@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000905682703 592611159 /nfs/dbraw/zinc/61/11/59/592611159.db2.gz NRMLPSWYOUXHKF-FRQCXROJSA-N 2 2 345.491 1.654 20 0 EDADLP O[C@H](C[NH2+]C[C@]12C[C@H]1COC21CCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000905685296 592612730 /nfs/dbraw/zinc/61/27/30/592612730.db2.gz FQXLOZRMVYRSFI-XUVXKRRUSA-N 2 2 342.483 1.954 20 0 EDADLP O[C@H](C[NH2+]C[C@]12C[C@H]1COC21CCC1)C[N@H+]1CCc2ccccc2C1 ZINC000905685296 592612732 /nfs/dbraw/zinc/61/27/32/592612732.db2.gz FQXLOZRMVYRSFI-XUVXKRRUSA-N 2 2 342.483 1.954 20 0 EDADLP O[C@H](CCC1(O)CCC1)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000905908472 592676587 /nfs/dbraw/zinc/67/65/87/592676587.db2.gz AKXMHYROVOBXDF-GOSISDBHSA-N 2 2 333.476 1.692 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000905976740 592695567 /nfs/dbraw/zinc/69/55/67/592695567.db2.gz GHTPSCHUJAUXED-HNNXBMFYSA-N 2 2 341.496 1.632 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000905976740 592695569 /nfs/dbraw/zinc/69/55/69/592695569.db2.gz GHTPSCHUJAUXED-HNNXBMFYSA-N 2 2 341.496 1.632 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000907649598 592755582 /nfs/dbraw/zinc/75/55/82/592755582.db2.gz HIHMQGKPEGDKPP-AWEZNQCLSA-N 2 2 338.452 1.309 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000907649598 592755584 /nfs/dbraw/zinc/75/55/84/592755584.db2.gz HIHMQGKPEGDKPP-AWEZNQCLSA-N 2 2 338.452 1.309 20 0 EDADLP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907727647 592772679 /nfs/dbraw/zinc/77/26/79/592772679.db2.gz OUQAMMJQNRTHEF-UHFFFAOYSA-N 2 2 336.436 1.217 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000907766026 592783194 /nfs/dbraw/zinc/78/31/94/592783194.db2.gz WWZFBLATSWUUBK-VQIMIIECSA-N 2 2 346.475 1.799 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000907766026 592783198 /nfs/dbraw/zinc/78/31/98/592783198.db2.gz WWZFBLATSWUUBK-VQIMIIECSA-N 2 2 346.475 1.799 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000907779258 592791540 /nfs/dbraw/zinc/79/15/40/592791540.db2.gz VMBHSDFDVCXWAN-KRWDZBQOSA-N 2 2 347.507 1.542 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000907798311 592799237 /nfs/dbraw/zinc/79/92/37/592799237.db2.gz YGEGWBNUKIGIQC-UHFFFAOYSA-N 2 2 346.475 1.253 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)NC[C@H]3CC[NH+](C4CC4)C3)co2)C1 ZINC000906361441 592804528 /nfs/dbraw/zinc/80/45/28/592804528.db2.gz HPYJBCMKOKDQJM-HIFRSBDPSA-N 2 2 348.447 1.109 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NC[C@H]3CC[NH+](C4CC4)C3)co2)C1 ZINC000906361441 592804530 /nfs/dbraw/zinc/80/45/30/592804530.db2.gz HPYJBCMKOKDQJM-HIFRSBDPSA-N 2 2 348.447 1.109 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)co2)C1 ZINC000906361441 592804532 /nfs/dbraw/zinc/80/45/32/592804532.db2.gz HPYJBCMKOKDQJM-HIFRSBDPSA-N 2 2 348.447 1.109 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)co2)C1 ZINC000906361441 592804535 /nfs/dbraw/zinc/80/45/35/592804535.db2.gz HPYJBCMKOKDQJM-HIFRSBDPSA-N 2 2 348.447 1.109 20 0 EDADLP CCCC[C@H](CCC)NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911103663 592923910 /nfs/dbraw/zinc/92/39/10/592923910.db2.gz SCZRLHTXGMNVIR-HNNXBMFYSA-N 2 2 326.485 1.001 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C(F)(F)C1CC[NH2+]CC1 ZINC000911642307 592964437 /nfs/dbraw/zinc/96/44/37/592964437.db2.gz LGZZPQJAKIKGCD-UHFFFAOYSA-N 2 2 338.402 1.933 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000736231278 592994976 /nfs/dbraw/zinc/99/49/76/592994976.db2.gz WSNUGLFUOBKAED-DZGCQCFKSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000736231278 592994978 /nfs/dbraw/zinc/99/49/78/592994978.db2.gz WSNUGLFUOBKAED-DZGCQCFKSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736231278 592994981 /nfs/dbraw/zinc/99/49/81/592994981.db2.gz WSNUGLFUOBKAED-DZGCQCFKSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736231278 592994984 /nfs/dbraw/zinc/99/49/84/592994984.db2.gz WSNUGLFUOBKAED-DZGCQCFKSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)C[NH2+]CC[NH3+])C1 ZINC000912357420 593088457 /nfs/dbraw/zinc/08/84/57/593088457.db2.gz QIWJGRIIIWXADA-KBPBESRZSA-N 2 2 332.448 1.292 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)c[nH+]1 ZINC000912584772 593106308 /nfs/dbraw/zinc/10/63/08/593106308.db2.gz SPBJHBBNPIAUDB-UHFFFAOYSA-N 2 2 336.480 1.526 20 0 EDADLP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C1CC1 ZINC000838808237 593218022 /nfs/dbraw/zinc/21/80/22/593218022.db2.gz AGYILSMHAZBXRB-HKUYNNGSSA-N 2 2 344.503 1.687 20 0 EDADLP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)C1CC1 ZINC000838808237 593218025 /nfs/dbraw/zinc/21/80/25/593218025.db2.gz AGYILSMHAZBXRB-HKUYNNGSSA-N 2 2 344.503 1.687 20 0 EDADLP C[C@H]1CCN(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000839992931 593304932 /nfs/dbraw/zinc/30/49/32/593304932.db2.gz ZAEDRGJQERFRGP-SFHVURJKSA-N 2 2 344.503 1.562 20 0 EDADLP C[C@H]1CCN(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000839992931 593304934 /nfs/dbraw/zinc/30/49/34/593304934.db2.gz ZAEDRGJQERFRGP-SFHVURJKSA-N 2 2 344.503 1.562 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(Cc3ncc(C[NH+](C)C)s3)CC2)S1 ZINC000809581290 593347830 /nfs/dbraw/zinc/34/78/30/593347830.db2.gz KTCDEIOXUDQXES-GFCCVEGCSA-N 2 2 339.534 1.814 20 0 EDADLP C[C@H](CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[NH+]1CCCCC1 ZINC000810182324 593387779 /nfs/dbraw/zinc/38/77/79/593387779.db2.gz RCMYAAZIMHEZKT-MRXNPFEDSA-N 2 2 346.475 1.518 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C(C)C ZINC000840030025 593394142 /nfs/dbraw/zinc/39/41/42/593394142.db2.gz AGXBZXZKOMQJCV-SJLPKXTDSA-N 2 2 334.464 1.887 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C(C)C ZINC000840030025 593394144 /nfs/dbraw/zinc/39/41/44/593394144.db2.gz AGXBZXZKOMQJCV-SJLPKXTDSA-N 2 2 334.464 1.887 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3CCN(Cc4cccnc4)C3=O)CC[C@@H]21 ZINC000840030247 593394661 /nfs/dbraw/zinc/39/46/61/593394661.db2.gz YBZUKSVNXNVUPI-MSOLQXFVSA-N 2 2 343.475 1.693 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3CCN(Cc4cccnc4)C3=O)CC[C@@H]21 ZINC000840030247 593394664 /nfs/dbraw/zinc/39/46/64/593394664.db2.gz YBZUKSVNXNVUPI-MSOLQXFVSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3CCN(Cc4cccnc4)C3=O)CC[C@@H]21 ZINC000840030247 593394667 /nfs/dbraw/zinc/39/46/67/593394667.db2.gz YBZUKSVNXNVUPI-MSOLQXFVSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3CCN(Cc4cccnc4)C3=O)CC[C@@H]21 ZINC000840030247 593394670 /nfs/dbraw/zinc/39/46/70/593394670.db2.gz YBZUKSVNXNVUPI-MSOLQXFVSA-N 2 2 343.475 1.693 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811760495 593479479 /nfs/dbraw/zinc/47/94/79/593479479.db2.gz VPDGXDQHZRCBOI-HZPDHXFCSA-N 2 2 332.448 1.723 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811760495 593479480 /nfs/dbraw/zinc/47/94/80/593479480.db2.gz VPDGXDQHZRCBOI-HZPDHXFCSA-N 2 2 332.448 1.723 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000812836426 593510321 /nfs/dbraw/zinc/51/03/21/593510321.db2.gz CXSMVDNQXXKVAM-PKOBYXMFSA-N 2 2 332.492 1.604 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000812836426 593510322 /nfs/dbraw/zinc/51/03/22/593510322.db2.gz CXSMVDNQXXKVAM-PKOBYXMFSA-N 2 2 332.492 1.604 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816896381 593556128 /nfs/dbraw/zinc/55/61/28/593556128.db2.gz IHOJPWYHDCPKSY-CQSZACIVSA-N 2 2 327.388 1.041 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816896381 593556129 /nfs/dbraw/zinc/55/61/29/593556129.db2.gz IHOJPWYHDCPKSY-CQSZACIVSA-N 2 2 327.388 1.041 20 0 EDADLP C[C@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)S1 ZINC000815072366 593613599 /nfs/dbraw/zinc/61/35/99/593613599.db2.gz JZSXWOMZGWIRQG-XJKSGUPXSA-N 2 2 337.464 1.838 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COC3(C)CCC3)CC2)CC1 ZINC000817656153 593620377 /nfs/dbraw/zinc/62/03/77/593620377.db2.gz BYLAVFMODBVMRA-UHFFFAOYSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COC3(C)CCC3)CC2)CC1 ZINC000817656153 593620378 /nfs/dbraw/zinc/62/03/78/593620378.db2.gz BYLAVFMODBVMRA-UHFFFAOYSA-N 2 2 337.508 1.964 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000819049272 593735758 /nfs/dbraw/zinc/73/57/58/593735758.db2.gz JFHGRGLSCJIEPM-DOMZBBRYSA-N 2 2 342.281 1.318 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)c1ccccc1Br ZINC000819049272 593735759 /nfs/dbraw/zinc/73/57/59/593735759.db2.gz JFHGRGLSCJIEPM-DOMZBBRYSA-N 2 2 342.281 1.318 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819049135 593735782 /nfs/dbraw/zinc/73/57/82/593735782.db2.gz GRRCLFKUNYEWLI-SWLSCSKDSA-N 2 2 332.275 1.862 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819049135 593735783 /nfs/dbraw/zinc/73/57/83/593735783.db2.gz GRRCLFKUNYEWLI-SWLSCSKDSA-N 2 2 332.275 1.862 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 ZINC000819193330 593743761 /nfs/dbraw/zinc/74/37/61/593743761.db2.gz FGMNKSBBVIAVFC-MSOLQXFVSA-N 2 2 331.460 1.222 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 ZINC000819193330 593743762 /nfs/dbraw/zinc/74/37/62/593743762.db2.gz FGMNKSBBVIAVFC-MSOLQXFVSA-N 2 2 331.460 1.222 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000820093189 593790381 /nfs/dbraw/zinc/79/03/81/593790381.db2.gz QNAJTNJQGVZMKH-YSHGAJCASA-N 2 2 336.439 1.692 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000820093189 593790382 /nfs/dbraw/zinc/79/03/82/593790382.db2.gz QNAJTNJQGVZMKH-YSHGAJCASA-N 2 2 336.439 1.692 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3cccnc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000824167655 593944210 /nfs/dbraw/zinc/94/42/10/593944210.db2.gz RJUFKJWSGVXNLF-JKSUJKDBSA-N 2 2 340.431 1.503 20 0 EDADLP CCCC[N@H+](C)CCNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821061029 593956578 /nfs/dbraw/zinc/95/65/78/593956578.db2.gz KLOQLCWSODTHHF-UHFFFAOYSA-N 2 2 325.420 1.981 20 0 EDADLP CCCC[N@@H+](C)CCNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821061029 593956579 /nfs/dbraw/zinc/95/65/79/593956579.db2.gz KLOQLCWSODTHHF-UHFFFAOYSA-N 2 2 325.420 1.981 20 0 EDADLP COc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Cl)n1 ZINC000821879233 593959301 /nfs/dbraw/zinc/95/93/01/593959301.db2.gz ODPZYOJDIOVFKQ-UHFFFAOYSA-N 2 2 343.859 1.749 20 0 EDADLP COc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)n1 ZINC000821879233 593959302 /nfs/dbraw/zinc/95/93/02/593959302.db2.gz ODPZYOJDIOVFKQ-UHFFFAOYSA-N 2 2 343.859 1.749 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822606036 594072543 /nfs/dbraw/zinc/07/25/43/594072543.db2.gz HUHYSQOLSDBFRF-ZDUSSCGKSA-N 2 2 334.291 1.810 20 0 EDADLP Cn1c[nH+]c(/C=C/C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000824940489 594101409 /nfs/dbraw/zinc/10/14/09/594101409.db2.gz CBGKYRGYWZWVSS-DKFQHHCZSA-N 2 2 340.427 1.316 20 0 EDADLP Cn1c[nH+]c(/C=C/C(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000824940489 594101410 /nfs/dbraw/zinc/10/14/10/594101410.db2.gz CBGKYRGYWZWVSS-DKFQHHCZSA-N 2 2 340.427 1.316 20 0 EDADLP CC(C)C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)n1cc[nH+]c1 ZINC000825146747 594136265 /nfs/dbraw/zinc/13/62/65/594136265.db2.gz GXHAUQQXGLWHAG-KZNAEPCWSA-N 3 2 349.523 1.668 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000826182301 594366330 /nfs/dbraw/zinc/36/63/30/594366330.db2.gz GQWOWYDTYVAFLJ-AWEZNQCLSA-N 2 2 342.447 1.793 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000826182301 594366332 /nfs/dbraw/zinc/36/63/32/594366332.db2.gz GQWOWYDTYVAFLJ-AWEZNQCLSA-N 2 2 342.447 1.793 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)c1 ZINC000826311071 594418594 /nfs/dbraw/zinc/41/85/94/594418594.db2.gz SBLKUTQKSLPMJK-UHFFFAOYSA-N 2 2 325.376 1.485 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)[NH+]2CCOCC2)c1 ZINC000827025030 594626178 /nfs/dbraw/zinc/62/61/78/594626178.db2.gz ZAUILBDUABRVRA-MSOLQXFVSA-N 2 2 331.460 1.612 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)CC1 ZINC000827435821 594671743 /nfs/dbraw/zinc/67/17/43/594671743.db2.gz XWGNLIBPQSPORD-UHFFFAOYSA-N 2 2 348.535 1.489 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC000831584592 594685620 /nfs/dbraw/zinc/68/56/20/594685620.db2.gz AORQRTVBNNDXEA-UHFFFAOYSA-N 2 2 342.443 1.750 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC000831584592 594685621 /nfs/dbraw/zinc/68/56/21/594685621.db2.gz AORQRTVBNNDXEA-UHFFFAOYSA-N 2 2 342.443 1.750 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(CNC(=O)Cc2c[nH+]c[nH]2)CCOCC1 ZINC000831584592 594685622 /nfs/dbraw/zinc/68/56/22/594685622.db2.gz AORQRTVBNNDXEA-UHFFFAOYSA-N 2 2 342.443 1.750 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(CNC(=O)Cc2c[nH+]c[nH]2)CCOCC1 ZINC000831584592 594685623 /nfs/dbraw/zinc/68/56/23/594685623.db2.gz AORQRTVBNNDXEA-UHFFFAOYSA-N 2 2 342.443 1.750 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(N(C)C)[nH+]1 ZINC000841193345 594866327 /nfs/dbraw/zinc/86/63/27/594866327.db2.gz SUNOSASWQMJYAZ-CYBMUJFWSA-N 2 2 335.452 1.226 20 0 EDADLP C[C@H](NC(=O)Nc1cccc(OCC[NH3+])c1)[C@H](C)[NH+]1CCOCC1 ZINC000841287507 594881785 /nfs/dbraw/zinc/88/17/85/594881785.db2.gz MJSUFPZUYLWSNL-KBPBESRZSA-N 2 2 336.436 1.255 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)NC[C@H](C)C[NH3+])c1[nH+]ccn1C ZINC000841671250 594933530 /nfs/dbraw/zinc/93/35/30/594933530.db2.gz XPGWAVXZESYOLU-IUODEOHRSA-N 2 2 331.420 1.412 20 0 EDADLP COc1ccccc1[C@H](NC(=O)NCC(C)(C)[NH3+])c1[nH+]ccn1C ZINC000841671420 594933627 /nfs/dbraw/zinc/93/36/27/594933627.db2.gz ZNJTUDHXGJEJAG-AWEZNQCLSA-N 2 2 331.420 1.555 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000841838280 594961525 /nfs/dbraw/zinc/96/15/25/594961525.db2.gz VSCYBJGXXJIXFT-OAHLLOKOSA-N 2 2 345.491 1.712 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000841838280 594961526 /nfs/dbraw/zinc/96/15/26/594961526.db2.gz VSCYBJGXXJIXFT-OAHLLOKOSA-N 2 2 345.491 1.712 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NC(C)(C)C[NH3+])CC2)cc1 ZINC000841838067 594961645 /nfs/dbraw/zinc/96/16/45/594961645.db2.gz KFWRLWBUDIMTGC-UHFFFAOYSA-N 2 2 333.480 1.758 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)NC(C)(C)C[NH3+])CC2)cc1 ZINC000841838067 594961647 /nfs/dbraw/zinc/96/16/47/594961647.db2.gz KFWRLWBUDIMTGC-UHFFFAOYSA-N 2 2 333.480 1.758 20 0 EDADLP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@H]1CSC[NH2+]1 ZINC000841847489 594964892 /nfs/dbraw/zinc/96/48/92/594964892.db2.gz ZCJHZXXSHKOCMF-ZIAGYGMSSA-N 2 2 335.429 1.196 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000843349031 595083025 /nfs/dbraw/zinc/08/30/25/595083025.db2.gz DLAADHBKSIZSDE-CVEARBPZSA-N 2 2 346.475 1.392 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000843349031 595083029 /nfs/dbraw/zinc/08/30/29/595083029.db2.gz DLAADHBKSIZSDE-CVEARBPZSA-N 2 2 346.475 1.392 20 0 EDADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000843356033 595085272 /nfs/dbraw/zinc/08/52/72/595085272.db2.gz BQHNHPDHOZTQFP-OAHLLOKOSA-N 2 2 330.498 1.008 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842475681 595114935 /nfs/dbraw/zinc/11/49/35/595114935.db2.gz AGRAMMLUCKYAOU-DZHLUBAWSA-N 2 2 331.420 1.572 20 0 EDADLP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000842480577 595116981 /nfs/dbraw/zinc/11/69/81/595116981.db2.gz SCRVHXLEHXWOHO-OWCLPIDISA-N 2 2 326.481 1.776 20 0 EDADLP COc1ncncc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000842694465 595172792 /nfs/dbraw/zinc/17/27/92/595172792.db2.gz PVHQBKYNUJFTLY-OAHLLOKOSA-N 2 2 328.420 1.633 20 0 EDADLP CN(C(=O)c1cn2c(n1)CCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000843796739 595189158 /nfs/dbraw/zinc/18/91/58/595189158.db2.gz VECLKVSQMUZPQN-HNNXBMFYSA-N 2 2 331.464 1.070 20 0 EDADLP CN(C(=O)c1cn2c(n1)CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000843796739 595189160 /nfs/dbraw/zinc/18/91/60/595189160.db2.gz VECLKVSQMUZPQN-HNNXBMFYSA-N 2 2 331.464 1.070 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)c1ccnc(-n3cc[nH+]c3)c1)CCO2 ZINC000844097707 595271850 /nfs/dbraw/zinc/27/18/50/595271850.db2.gz TZSRHTCQCDMWRG-UHFFFAOYSA-N 2 2 341.415 1.204 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000843072590 595280747 /nfs/dbraw/zinc/28/07/47/595280747.db2.gz IUHLCVJVLPWSQO-GJZGRUSLSA-N 2 2 332.366 1.784 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000843072590 595280748 /nfs/dbraw/zinc/28/07/48/595280748.db2.gz IUHLCVJVLPWSQO-GJZGRUSLSA-N 2 2 332.366 1.784 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc(Br)cc1F ZINC000846670648 595297265 /nfs/dbraw/zinc/29/72/65/595297265.db2.gz QMQRSMQVURWYHC-ZDUSSCGKSA-N 2 2 346.244 1.526 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000844222476 595307472 /nfs/dbraw/zinc/30/74/72/595307472.db2.gz GMKNSSINSVCMET-QAPCUYQASA-N 2 2 346.475 1.521 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000844222476 595307475 /nfs/dbraw/zinc/30/74/75/595307475.db2.gz GMKNSSINSVCMET-QAPCUYQASA-N 2 2 346.475 1.521 20 0 EDADLP CC(=O)C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000846946648 595341316 /nfs/dbraw/zinc/34/13/16/595341316.db2.gz LBMQYXBWHCIHIQ-GOSISDBHSA-N 2 2 331.460 1.707 20 0 EDADLP O=C(C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000844455176 595345649 /nfs/dbraw/zinc/34/56/49/595345649.db2.gz WHSYKLYULOZPOE-IYBDPMFKSA-N 2 2 335.398 1.528 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000844455176 595345651 /nfs/dbraw/zinc/34/56/51/595345651.db2.gz WHSYKLYULOZPOE-IYBDPMFKSA-N 2 2 335.398 1.528 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000847279774 595386829 /nfs/dbraw/zinc/38/68/29/595386829.db2.gz HZIZQKSTRORRAI-GASCZTMLSA-N 2 2 328.420 1.407 20 0 EDADLP O[C@@H]1c2ccccc2OC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848550082 595404551 /nfs/dbraw/zinc/40/45/51/595404551.db2.gz BRVRMXZJUKZLTN-KVSKMBFKSA-N 2 2 332.444 1.714 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)o1 ZINC000848902270 595465242 /nfs/dbraw/zinc/46/52/42/595465242.db2.gz BNXQHVKMHBEAKZ-WAYWQWQTSA-N 2 2 342.399 1.886 20 0 EDADLP Cc1ccc(CNC(=[NH2+])NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000849066589 595477440 /nfs/dbraw/zinc/47/74/40/595477440.db2.gz GXNFUTHODIYCKG-SFHVURJKSA-N 2 2 348.516 1.817 20 0 EDADLP CC[N@H+](CCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC)CCC(F)(F)F ZINC000849098242 595481193 /nfs/dbraw/zinc/48/11/93/595481193.db2.gz HZOBYMCEIKAZFG-ZDUSSCGKSA-N 3 2 337.434 1.859 20 0 EDADLP CC[N@@H+](CCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC)CCC(F)(F)F ZINC000849098242 595481194 /nfs/dbraw/zinc/48/11/94/595481194.db2.gz HZOBYMCEIKAZFG-ZDUSSCGKSA-N 3 2 337.434 1.859 20 0 EDADLP CC[NH+](CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)CCC(F)(F)F ZINC000849098242 595481198 /nfs/dbraw/zinc/48/11/98/595481198.db2.gz HZOBYMCEIKAZFG-ZDUSSCGKSA-N 3 2 337.434 1.859 20 0 EDADLP CC[NH+](CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)CCC(F)(F)F ZINC000849098242 595481200 /nfs/dbraw/zinc/48/12/00/595481200.db2.gz HZOBYMCEIKAZFG-ZDUSSCGKSA-N 3 2 337.434 1.859 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000849133244 595485191 /nfs/dbraw/zinc/48/51/91/595485191.db2.gz JEVQXBPFHDYDEP-KRWDZBQOSA-N 2 2 326.448 1.525 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000849330285 595506810 /nfs/dbraw/zinc/50/68/10/595506810.db2.gz NNJHGTDOJYBOEN-BBWFWOEESA-N 2 2 340.414 1.883 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000849330285 595506811 /nfs/dbraw/zinc/50/68/11/595506811.db2.gz NNJHGTDOJYBOEN-BBWFWOEESA-N 2 2 340.414 1.883 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000852862443 595582837 /nfs/dbraw/zinc/58/28/37/595582837.db2.gz DXZYEHOZHWYQTO-IRXDYDNUSA-N 2 2 341.496 1.091 20 0 EDADLP COc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2c1O[C@@H](C)C2 ZINC000855416165 595705359 /nfs/dbraw/zinc/70/53/59/595705359.db2.gz IBNQLVMVNFRAOF-AWEZNQCLSA-N 2 2 349.475 1.632 20 0 EDADLP COc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2c1O[C@@H](C)C2 ZINC000855416165 595705361 /nfs/dbraw/zinc/70/53/61/595705361.db2.gz IBNQLVMVNFRAOF-AWEZNQCLSA-N 2 2 349.475 1.632 20 0 EDADLP Brc1ncn(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000851752390 595908219 /nfs/dbraw/zinc/90/82/19/595908219.db2.gz ARPAYMDVAPHRBU-NSHDSACASA-N 2 2 325.214 1.574 20 0 EDADLP Brc1ncn(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000851752390 595908221 /nfs/dbraw/zinc/90/82/21/595908221.db2.gz ARPAYMDVAPHRBU-NSHDSACASA-N 2 2 325.214 1.574 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000114073143 595938769 /nfs/dbraw/zinc/93/87/69/595938769.db2.gz NMACQJZVQMPMAL-GOEBONIOSA-N 2 2 328.416 1.729 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000114073143 595938772 /nfs/dbraw/zinc/93/87/72/595938772.db2.gz NMACQJZVQMPMAL-GOEBONIOSA-N 2 2 328.416 1.729 20 0 EDADLP CC(C)OC[C@H]([NH3+])c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000854147974 595990352 /nfs/dbraw/zinc/99/03/52/595990352.db2.gz BKDVFBVQBMUWGJ-AWEZNQCLSA-N 2 2 346.435 1.308 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1[nH+]ccn1C ZINC000861550254 596025888 /nfs/dbraw/zinc/02/58/88/596025888.db2.gz CZHKLXRCIMEZOJ-JGGQBBKZSA-N 2 2 343.431 1.568 20 0 EDADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)c2)C1 ZINC000857158109 596171734 /nfs/dbraw/zinc/17/17/34/596171734.db2.gz MJQCTVNHQSAYQM-RTBURBONSA-N 2 2 342.487 1.225 20 0 EDADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)c2)C1 ZINC000857158109 596171737 /nfs/dbraw/zinc/17/17/37/596171737.db2.gz MJQCTVNHQSAYQM-RTBURBONSA-N 2 2 342.487 1.225 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000866521240 596239601 /nfs/dbraw/zinc/23/96/01/596239601.db2.gz IVCGXZOXQOXDPX-DYVFJYSZSA-N 2 2 342.443 1.311 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000866521240 596239604 /nfs/dbraw/zinc/23/96/04/596239604.db2.gz IVCGXZOXQOXDPX-DYVFJYSZSA-N 2 2 342.443 1.311 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862108547 596239906 /nfs/dbraw/zinc/23/99/06/596239906.db2.gz XEMZNOBQJACDOE-UHFFFAOYSA-N 2 2 342.443 1.714 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000866609952 596268132 /nfs/dbraw/zinc/26/81/32/596268132.db2.gz MLDKMVBAWDLJNW-MRXNPFEDSA-N 2 2 346.406 1.385 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000866699043 596298786 /nfs/dbraw/zinc/29/87/86/596298786.db2.gz GKYDWGRTPGGWED-UHFFFAOYSA-N 2 2 348.466 1.548 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000866699043 596298788 /nfs/dbraw/zinc/29/87/88/596298788.db2.gz GKYDWGRTPGGWED-UHFFFAOYSA-N 2 2 348.466 1.548 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870856254 596379069 /nfs/dbraw/zinc/37/90/69/596379069.db2.gz LILNGSFEBLNJIP-UWVAXJGDSA-N 2 2 343.471 1.775 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864942879 596422678 /nfs/dbraw/zinc/42/26/78/596422678.db2.gz MYWRKIZUDQPZCM-BQYQJAHWSA-N 2 2 325.497 1.701 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](C)[NH2+]C3CC3)C2)c1 ZINC000870977843 596424940 /nfs/dbraw/zinc/42/49/40/596424940.db2.gz LZAVHWQWCPJXKX-MAUKXSAKSA-N 2 2 331.460 1.453 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](C)[NH2+]C3CC3)C2)c1 ZINC000870977843 596424943 /nfs/dbraw/zinc/42/49/43/596424943.db2.gz LZAVHWQWCPJXKX-MAUKXSAKSA-N 2 2 331.460 1.453 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[NH2+]C(C)C)C2)c1 ZINC000870978599 596425512 /nfs/dbraw/zinc/42/55/12/596425512.db2.gz WTFXISFXDINTFJ-SFHVURJKSA-N 2 2 333.476 1.700 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[NH2+]C(C)C)C2)c1 ZINC000870978599 596425515 /nfs/dbraw/zinc/42/55/15/596425515.db2.gz WTFXISFXDINTFJ-SFHVURJKSA-N 2 2 333.476 1.700 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@H]([NH3+])C3CC3)C2)cc1 ZINC000870980222 596427921 /nfs/dbraw/zinc/42/79/21/596427921.db2.gz ZSZNCEQMOLNFSF-MSOLQXFVSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@H]([NH3+])C3CC3)C2)cc1 ZINC000870980222 596427923 /nfs/dbraw/zinc/42/79/23/596427923.db2.gz ZSZNCEQMOLNFSF-MSOLQXFVSA-N 2 2 331.460 1.439 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](CC(F)F)C2)C(C)(C)C1 ZINC000869158143 596428036 /nfs/dbraw/zinc/42/80/36/596428036.db2.gz BCAVABBETXYPPN-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](CC(F)F)C2)C(C)(C)C1 ZINC000869158143 596428038 /nfs/dbraw/zinc/42/80/38/596428038.db2.gz BCAVABBETXYPPN-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)C(C)(C)C1 ZINC000869158143 596428040 /nfs/dbraw/zinc/42/80/40/596428040.db2.gz BCAVABBETXYPPN-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)C(C)(C)C1 ZINC000869158143 596428042 /nfs/dbraw/zinc/42/80/42/596428042.db2.gz BCAVABBETXYPPN-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190901 596441215 /nfs/dbraw/zinc/44/12/15/596441215.db2.gz WDNQWAYDVNNAAI-BYNSBNAKSA-N 2 2 347.450 1.577 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190901 596441218 /nfs/dbraw/zinc/44/12/18/596441218.db2.gz WDNQWAYDVNNAAI-BYNSBNAKSA-N 2 2 347.450 1.577 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CC(F)F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190901 596441221 /nfs/dbraw/zinc/44/12/21/596441221.db2.gz WDNQWAYDVNNAAI-BYNSBNAKSA-N 2 2 347.450 1.577 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CC(F)F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190901 596441222 /nfs/dbraw/zinc/44/12/22/596441222.db2.gz WDNQWAYDVNNAAI-BYNSBNAKSA-N 2 2 347.450 1.577 20 0 EDADLP COc1ccc(F)c(OC)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000869243321 596459217 /nfs/dbraw/zinc/45/92/17/596459217.db2.gz QAUMTJMUESBASH-UHFFFAOYSA-N 2 2 341.427 1.456 20 0 EDADLP COc1ccc(F)c(OC)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000869243321 596459218 /nfs/dbraw/zinc/45/92/18/596459218.db2.gz QAUMTJMUESBASH-UHFFFAOYSA-N 2 2 341.427 1.456 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CC[N@@H+]1CC(C)(C)O ZINC000867655495 596482646 /nfs/dbraw/zinc/48/26/46/596482646.db2.gz XCOWIQONWVBMHU-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CC[N@H+]1CC(C)(C)O ZINC000867655495 596482649 /nfs/dbraw/zinc/48/26/49/596482649.db2.gz XCOWIQONWVBMHU-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC[NH+]1CC(C)(C)O ZINC000867655495 596482652 /nfs/dbraw/zinc/48/26/52/596482652.db2.gz XCOWIQONWVBMHU-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC[NH+]1CC(C)(C)O ZINC000867655495 596482654 /nfs/dbraw/zinc/48/26/54/596482654.db2.gz XCOWIQONWVBMHU-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](O)c2c[nH+]c[nH]2)c1 ZINC000867756749 596534061 /nfs/dbraw/zinc/53/40/61/596534061.db2.gz ZDHJNEKDYUWAEP-MRXNPFEDSA-N 2 2 332.404 1.042 20 0 EDADLP COCC[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)NC(=O)OC(C)(C)C ZINC000865532891 596602622 /nfs/dbraw/zinc/60/26/22/596602622.db2.gz RBTYYBMSSUTONY-KGLIPLIRSA-N 2 2 338.452 1.717 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000867955734 596633817 /nfs/dbraw/zinc/63/38/17/596633817.db2.gz GDUJLHLEXLOPRU-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867976666 596641985 /nfs/dbraw/zinc/64/19/85/596641985.db2.gz PYKTXYVRTBNNST-KGLIPLIRSA-N 2 2 335.439 1.173 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867976666 596641989 /nfs/dbraw/zinc/64/19/89/596641989.db2.gz PYKTXYVRTBNNST-KGLIPLIRSA-N 2 2 335.439 1.173 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869814010 596646298 /nfs/dbraw/zinc/64/62/98/596646298.db2.gz CZFGMOQDTSMCPP-KRWDZBQOSA-N 2 2 336.439 1.790 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3CC[NH2+][C@H]3C)C2)cc1 ZINC000867997709 596648310 /nfs/dbraw/zinc/64/83/10/596648310.db2.gz ISLKJVDEQICFBT-JQHSSLGASA-N 2 2 331.460 1.310 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3CC[NH2+][C@H]3C)C2)cc1 ZINC000867997709 596648314 /nfs/dbraw/zinc/64/83/14/596648314.db2.gz ISLKJVDEQICFBT-JQHSSLGASA-N 2 2 331.460 1.310 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000868002638 596650911 /nfs/dbraw/zinc/65/09/11/596650911.db2.gz XYIGINYMGVTJHL-YXOJNZSOSA-N 2 2 335.492 1.788 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000868002638 596650913 /nfs/dbraw/zinc/65/09/13/596650913.db2.gz XYIGINYMGVTJHL-YXOJNZSOSA-N 2 2 335.492 1.788 20 0 EDADLP CN1CC[NH+](CCOc2ccc(-c3cnn4c3C[NH2+]CC4)cc2)CC1 ZINC000863692299 596660155 /nfs/dbraw/zinc/66/01/55/596660155.db2.gz VDJOGCSXZNXVHH-UHFFFAOYSA-N 2 2 341.459 1.280 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@H](O)C1 ZINC000865745731 596668089 /nfs/dbraw/zinc/66/80/89/596668089.db2.gz JVUUMBPLTIALHB-UONOGXRCSA-N 2 2 336.436 1.289 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868055225 596671458 /nfs/dbraw/zinc/67/14/58/596671458.db2.gz CZUZVVBEIIRWHV-UQPPLGOBSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(C)c3[nH+]cccc3C2)C1 ZINC000868097140 596684769 /nfs/dbraw/zinc/68/47/69/596684769.db2.gz GBTQQWZLEHSQJX-HNNXBMFYSA-N 2 2 331.464 1.775 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(C)c3[nH+]cccc3C2)C1 ZINC000868097140 596684770 /nfs/dbraw/zinc/68/47/70/596684770.db2.gz GBTQQWZLEHSQJX-HNNXBMFYSA-N 2 2 331.464 1.775 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC[C@H]2C[NH+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798921 596688661 /nfs/dbraw/zinc/68/86/61/596688661.db2.gz BLTSAXGEHAOHCI-PMACEKPBSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[N@H+]1CC[C@H](NC[C@H]2C[NH+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798921 596688663 /nfs/dbraw/zinc/68/86/63/596688663.db2.gz BLTSAXGEHAOHCI-PMACEKPBSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798921 596688664 /nfs/dbraw/zinc/68/86/64/596688664.db2.gz BLTSAXGEHAOHCI-PMACEKPBSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798921 596688666 /nfs/dbraw/zinc/68/86/66/596688666.db2.gz BLTSAXGEHAOHCI-PMACEKPBSA-N 2 2 347.503 1.506 20 0 EDADLP C[NH+](C)C1(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCC1 ZINC000119675479 596705106 /nfs/dbraw/zinc/70/51/06/596705106.db2.gz SXDYOCRVRHDGLT-UHFFFAOYSA-N 2 2 344.459 1.497 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)c1cc(N2CCCC2)[nH+]cn1 ZINC000865996238 596752201 /nfs/dbraw/zinc/75/22/01/596752201.db2.gz JDIOZIXYGOIRLR-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)c1cc(N2CCCC2)nc[nH+]1 ZINC000865996238 596752204 /nfs/dbraw/zinc/75/22/04/596752204.db2.gz JDIOZIXYGOIRLR-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3F)C2)CC1 ZINC000868287776 596767701 /nfs/dbraw/zinc/76/77/01/596767701.db2.gz KKPJTRXUFBRQCT-CWRNSKLLSA-N 2 2 326.460 1.735 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3F)C2)CC1 ZINC000868287776 596767702 /nfs/dbraw/zinc/76/77/02/596767702.db2.gz KKPJTRXUFBRQCT-CWRNSKLLSA-N 2 2 326.460 1.735 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000872146489 596810012 /nfs/dbraw/zinc/81/00/12/596810012.db2.gz PBCNVNGMRMZEHA-ARFHVFGLSA-N 2 2 338.473 1.104 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 ZINC000872146489 596810016 /nfs/dbraw/zinc/81/00/16/596810016.db2.gz PBCNVNGMRMZEHA-ARFHVFGLSA-N 2 2 338.473 1.104 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)NCCc1nc3ccccc3s1)C2 ZINC000872153537 596815129 /nfs/dbraw/zinc/81/51/29/596815129.db2.gz CMZMUVMLLBMBLV-SCLBCKFNSA-N 2 2 344.484 1.496 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)NCCc1nc3ccccc3s1)C2 ZINC000872153537 596815130 /nfs/dbraw/zinc/81/51/30/596815130.db2.gz CMZMUVMLLBMBLV-SCLBCKFNSA-N 2 2 344.484 1.496 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)CC(C)(C)O)CC2)cc1 ZINC000872204043 596834400 /nfs/dbraw/zinc/83/44/00/596834400.db2.gz SGOTUARIZFHNEO-SFHVURJKSA-N 2 2 335.492 1.833 20 0 EDADLP CN1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)Cc2ccc[nH+]c21 ZINC000872314377 596878161 /nfs/dbraw/zinc/87/81/61/596878161.db2.gz BSCPXCOLNKTNII-UHFFFAOYSA-N 2 2 336.439 1.748 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000875662553 596937871 /nfs/dbraw/zinc/93/78/71/596937871.db2.gz LRTXUOHQWNGJHG-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000875662553 596937874 /nfs/dbraw/zinc/93/78/74/596937874.db2.gz LRTXUOHQWNGJHG-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000875662553 596937876 /nfs/dbraw/zinc/93/78/76/596937876.db2.gz LRTXUOHQWNGJHG-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000875662553 596937880 /nfs/dbraw/zinc/93/78/80/596937880.db2.gz LRTXUOHQWNGJHG-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875766032 596977733 /nfs/dbraw/zinc/97/77/33/596977733.db2.gz GTSWATNLSCUMGM-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875766032 596977736 /nfs/dbraw/zinc/97/77/36/596977736.db2.gz GTSWATNLSCUMGM-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP C[C@@H]1C[N@@H+](CN2CCC3(CCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000872595278 596981143 /nfs/dbraw/zinc/98/11/43/596981143.db2.gz DIXYENUTVHNULP-IAGOWNOFSA-N 2 2 334.508 1.304 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3CCC4(CCC4)C3=O)CC2)CC1 ZINC000872619191 596993994 /nfs/dbraw/zinc/99/39/94/596993994.db2.gz JPZLNFJGGBHCPW-UHFFFAOYSA-N 2 2 348.535 1.839 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3CCC4(CCC4)C3=O)CC2)CC1 ZINC000872619191 596993996 /nfs/dbraw/zinc/99/39/96/596993996.db2.gz JPZLNFJGGBHCPW-UHFFFAOYSA-N 2 2 348.535 1.839 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3CCC4(CCC4)C3=O)CC2)CC1 ZINC000872619191 596994000 /nfs/dbraw/zinc/99/40/00/596994000.db2.gz JPZLNFJGGBHCPW-UHFFFAOYSA-N 2 2 348.535 1.839 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3CCC4(CCC4)C3=O)CC2)CC1 ZINC000872619191 596994004 /nfs/dbraw/zinc/99/40/04/596994004.db2.gz JPZLNFJGGBHCPW-UHFFFAOYSA-N 2 2 348.535 1.839 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000876212854 597139069 /nfs/dbraw/zinc/13/90/69/597139069.db2.gz NANCTIBZKYQHPY-KRWDZBQOSA-N 2 2 332.448 1.147 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000876212854 597139071 /nfs/dbraw/zinc/13/90/71/597139071.db2.gz NANCTIBZKYQHPY-KRWDZBQOSA-N 2 2 332.448 1.147 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)CCc1ccccc1 ZINC000874710743 597155855 /nfs/dbraw/zinc/15/58/55/597155855.db2.gz RHNXEASXPBIPLK-GOSISDBHSA-N 2 2 333.476 1.388 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)CCc1ccccc1 ZINC000874710743 597155858 /nfs/dbraw/zinc/15/58/58/597155858.db2.gz RHNXEASXPBIPLK-GOSISDBHSA-N 2 2 333.476 1.388 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000874710743 597155859 /nfs/dbraw/zinc/15/58/59/597155859.db2.gz RHNXEASXPBIPLK-GOSISDBHSA-N 2 2 333.476 1.388 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000874710743 597155861 /nfs/dbraw/zinc/15/58/61/597155861.db2.gz RHNXEASXPBIPLK-GOSISDBHSA-N 2 2 333.476 1.388 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874890524 597211095 /nfs/dbraw/zinc/21/10/95/597211095.db2.gz SUCYSFGQRDOEBD-GOEBONIOSA-N 2 2 328.391 1.758 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000873206002 597226817 /nfs/dbraw/zinc/22/68/17/597226817.db2.gz YMONBDAPXAICPF-MRXNPFEDSA-N 3 2 334.533 1.606 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000873206002 597226820 /nfs/dbraw/zinc/22/68/20/597226820.db2.gz YMONBDAPXAICPF-MRXNPFEDSA-N 3 2 334.533 1.606 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000876521489 597229469 /nfs/dbraw/zinc/22/94/69/597229469.db2.gz XIROTNLIDBCVRN-OAHLLOKOSA-N 2 2 342.399 1.808 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236039 597234956 /nfs/dbraw/zinc/23/49/56/597234956.db2.gz SYQHONSPIRHNFZ-VPWXQRGCSA-N 3 2 345.487 1.677 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236039 597234960 /nfs/dbraw/zinc/23/49/60/597234960.db2.gz SYQHONSPIRHNFZ-VPWXQRGCSA-N 3 2 345.487 1.677 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236035 597235196 /nfs/dbraw/zinc/23/51/96/597235196.db2.gz SYQHONSPIRHNFZ-RIFZZMRRSA-N 3 2 345.487 1.677 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236035 597235199 /nfs/dbraw/zinc/23/51/99/597235199.db2.gz SYQHONSPIRHNFZ-RIFZZMRRSA-N 3 2 345.487 1.677 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236030 597235280 /nfs/dbraw/zinc/23/52/80/597235280.db2.gz SYQHONSPIRHNFZ-KNBMTAEXSA-N 3 2 345.487 1.677 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236030 597235283 /nfs/dbraw/zinc/23/52/83/597235283.db2.gz SYQHONSPIRHNFZ-KNBMTAEXSA-N 3 2 345.487 1.677 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H]1C(F)(F)F ZINC000873310387 597252787 /nfs/dbraw/zinc/25/27/87/597252787.db2.gz UTWDBTMPPMDRQC-GXSJLCMTSA-N 2 2 327.310 1.935 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000875072310 597270593 /nfs/dbraw/zinc/27/05/93/597270593.db2.gz USFUILHIJKNLLN-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000875072310 597270594 /nfs/dbraw/zinc/27/05/94/597270594.db2.gz USFUILHIJKNLLN-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000875072310 597270597 /nfs/dbraw/zinc/27/05/97/597270597.db2.gz USFUILHIJKNLLN-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000875188883 597319855 /nfs/dbraw/zinc/31/98/55/597319855.db2.gz CVYJKFZMSYHGSN-MRXNPFEDSA-N 2 2 342.447 1.749 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000875188883 597319859 /nfs/dbraw/zinc/31/98/59/597319859.db2.gz CVYJKFZMSYHGSN-MRXNPFEDSA-N 2 2 342.447 1.749 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccnc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC000875188781 597319890 /nfs/dbraw/zinc/31/98/90/597319890.db2.gz AIMPQADTCULYGY-HZPDHXFCSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccnc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC000875188781 597319894 /nfs/dbraw/zinc/31/98/94/597319894.db2.gz AIMPQADTCULYGY-HZPDHXFCSA-N 2 2 340.431 1.503 20 0 EDADLP [NH3+][C@H](C(=O)NCC[N@@H+]1CCCOCC1)c1cccc(C(F)(F)F)c1 ZINC000876890895 597371837 /nfs/dbraw/zinc/37/18/37/597371837.db2.gz LLCJFFDBNXUVGP-AWEZNQCLSA-N 2 2 345.365 1.544 20 0 EDADLP [NH3+][C@H](C(=O)NCC[N@H+]1CCCOCC1)c1cccc(C(F)(F)F)c1 ZINC000876890895 597371839 /nfs/dbraw/zinc/37/18/39/597371839.db2.gz LLCJFFDBNXUVGP-AWEZNQCLSA-N 2 2 345.365 1.544 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000875340036 597390930 /nfs/dbraw/zinc/39/09/30/597390930.db2.gz UOVPTLLVWOWRTB-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000875340036 597390934 /nfs/dbraw/zinc/39/09/34/597390934.db2.gz UOVPTLLVWOWRTB-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000876964977 597399594 /nfs/dbraw/zinc/39/95/94/597399594.db2.gz XCYLBYYXOXIXDH-DSCOKBBTSA-N 2 2 329.444 1.137 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000877026118 597415141 /nfs/dbraw/zinc/41/51/41/597415141.db2.gz AEOMGRQALRWNTI-JBZXTQMFSA-N 2 2 331.464 1.848 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000875535646 597468763 /nfs/dbraw/zinc/46/87/63/597468763.db2.gz QXDMZPAQPFFVCN-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000875535646 597468770 /nfs/dbraw/zinc/46/87/70/597468770.db2.gz QXDMZPAQPFFVCN-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000875535646 597468772 /nfs/dbraw/zinc/46/87/72/597468772.db2.gz QXDMZPAQPFFVCN-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP Cn1ncc(C2CCC2)c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746519 597552685 /nfs/dbraw/zinc/55/26/85/597552685.db2.gz BUPFWTNKUWFNTF-UHFFFAOYSA-N 2 2 331.508 1.899 20 0 EDADLP Cn1nc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000877747577 597552781 /nfs/dbraw/zinc/55/27/81/597552781.db2.gz RSEFUJQFTJNNBA-UHFFFAOYSA-N 2 2 327.476 1.785 20 0 EDADLP O=S1(=O)C[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]2C1 ZINC000877788277 597556669 /nfs/dbraw/zinc/55/66/69/597556669.db2.gz UQUNRIXVXPDWKO-HZPDHXFCSA-N 2 2 331.441 1.739 20 0 EDADLP O=S1(=O)C[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]2C1 ZINC000877788277 597556670 /nfs/dbraw/zinc/55/66/70/597556670.db2.gz UQUNRIXVXPDWKO-HZPDHXFCSA-N 2 2 331.441 1.739 20 0 EDADLP COCC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccs1 ZINC000877908070 597563390 /nfs/dbraw/zinc/56/33/90/597563390.db2.gz IZSUNABBXDHAPA-UHFFFAOYSA-N 2 2 325.478 1.407 20 0 EDADLP COCC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccs1 ZINC000877908070 597563391 /nfs/dbraw/zinc/56/33/91/597563391.db2.gz IZSUNABBXDHAPA-UHFFFAOYSA-N 2 2 325.478 1.407 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000877959401 597566236 /nfs/dbraw/zinc/56/62/36/597566236.db2.gz WBZRRYAKRSUORY-ROUUACIJSA-N 2 2 331.460 1.613 20 0 EDADLP C[N@H+](C[C@H](O)c1cc(Br)no1)C[C@H]1CCC[NH+](C)C1 ZINC000878125323 597580200 /nfs/dbraw/zinc/58/02/00/597580200.db2.gz NYHJNNSAZKWLQZ-QWRGUYRKSA-N 2 2 332.242 1.744 20 0 EDADLP C[N@@H+](C[C@H](O)c1cc(Br)no1)C[C@H]1CCC[NH+](C)C1 ZINC000878125323 597580201 /nfs/dbraw/zinc/58/02/01/597580201.db2.gz NYHJNNSAZKWLQZ-QWRGUYRKSA-N 2 2 332.242 1.744 20 0 EDADLP C[NH+](C[C@H](O)c1cc(Br)no1)C[C@H]1CCC[N@H+](C)C1 ZINC000878125323 597580202 /nfs/dbraw/zinc/58/02/02/597580202.db2.gz NYHJNNSAZKWLQZ-QWRGUYRKSA-N 2 2 332.242 1.744 20 0 EDADLP C[NH+](C[C@H](O)c1cc(Br)no1)C[C@H]1CCC[N@@H+](C)C1 ZINC000878125323 597580203 /nfs/dbraw/zinc/58/02/03/597580203.db2.gz NYHJNNSAZKWLQZ-QWRGUYRKSA-N 2 2 332.242 1.744 20 0 EDADLP O[C@@]1(C[N@@H+]2CCCC3(C2)OCCO3)CC[NH+](Cc2ccccc2)C1 ZINC000878283098 597592453 /nfs/dbraw/zinc/59/24/53/597592453.db2.gz CCHOWRGAUHMLJZ-SFHVURJKSA-N 2 2 332.444 1.462 20 0 EDADLP O[C@@]1(C[N@H+]2CCCC3(C2)OCCO3)CC[NH+](Cc2ccccc2)C1 ZINC000878283098 597592454 /nfs/dbraw/zinc/59/24/54/597592454.db2.gz CCHOWRGAUHMLJZ-SFHVURJKSA-N 2 2 332.444 1.462 20 0 EDADLP O[C@@]1(C[NH+]2CCCC3(C2)OCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000878283098 597592455 /nfs/dbraw/zinc/59/24/55/597592455.db2.gz CCHOWRGAUHMLJZ-SFHVURJKSA-N 2 2 332.444 1.462 20 0 EDADLP O[C@@]1(C[NH+]2CCCC3(C2)OCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000878283098 597592456 /nfs/dbraw/zinc/59/24/56/597592456.db2.gz CCHOWRGAUHMLJZ-SFHVURJKSA-N 2 2 332.444 1.462 20 0 EDADLP CCOC(=O)C1=C(C[N@H+](C)CCCn2cc[nH+]c2C)NC(=O)N[C@H]1C ZINC000130743473 597618040 /nfs/dbraw/zinc/61/80/40/597618040.db2.gz KAANKTBSLSOOKR-LBPRGKRZSA-N 2 2 349.435 1.032 20 0 EDADLP CCOC(=O)C1=C(C[N@@H+](C)CCCn2cc[nH+]c2C)NC(=O)N[C@H]1C ZINC000130743473 597618044 /nfs/dbraw/zinc/61/80/44/597618044.db2.gz KAANKTBSLSOOKR-LBPRGKRZSA-N 2 2 349.435 1.032 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC000881437713 597618421 /nfs/dbraw/zinc/61/84/21/597618421.db2.gz RMFJTSKTISNKQK-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000881437713 597618422 /nfs/dbraw/zinc/61/84/22/597618422.db2.gz RMFJTSKTISNKQK-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC000881437713 597618423 /nfs/dbraw/zinc/61/84/23/597618423.db2.gz RMFJTSKTISNKQK-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC000881437713 597618424 /nfs/dbraw/zinc/61/84/24/597618424.db2.gz RMFJTSKTISNKQK-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP CC(C)CN(C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000879592076 597649179 /nfs/dbraw/zinc/64/91/79/597649179.db2.gz DAIDIQBJDQQAJG-UHFFFAOYSA-N 2 2 336.524 1.345 20 0 EDADLP CCc1oc(C(=O)OC)cc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592550 597649259 /nfs/dbraw/zinc/64/92/59/597649259.db2.gz LBMBHWONECDZJF-UHFFFAOYSA-N 2 2 349.475 1.840 20 0 EDADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000883166966 597674472 /nfs/dbraw/zinc/67/44/72/597674472.db2.gz MSOWHAFXCMXXHZ-OAHLLOKOSA-N 2 2 328.420 1.469 20 0 EDADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000883166966 597674475 /nfs/dbraw/zinc/67/44/75/597674475.db2.gz MSOWHAFXCMXXHZ-OAHLLOKOSA-N 2 2 328.420 1.469 20 0 EDADLP CCO[C@@H](C)c1noc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)n1 ZINC000879125077 597827163 /nfs/dbraw/zinc/82/71/63/597827163.db2.gz OJNWJVRVAFPEMO-AWEZNQCLSA-N 2 2 340.468 1.957 20 0 EDADLP CCO[C@@H](C)c1noc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)n1 ZINC000879125077 597827164 /nfs/dbraw/zinc/82/71/64/597827164.db2.gz OJNWJVRVAFPEMO-AWEZNQCLSA-N 2 2 340.468 1.957 20 0 EDADLP CO[C@@H](C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)C1CCCC1 ZINC000880252818 597883549 /nfs/dbraw/zinc/88/35/49/597883549.db2.gz DTBHUKUCWOUJFP-KRWDZBQOSA-N 2 2 337.508 1.997 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000880253882 597883931 /nfs/dbraw/zinc/88/39/31/597883931.db2.gz FVTPHOUOYBDJOT-SFHVURJKSA-N 2 2 345.487 1.916 20 0 EDADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000883891783 597932660 /nfs/dbraw/zinc/93/26/60/597932660.db2.gz CJEBIEAHQFXRME-QGZVFWFLSA-N 2 2 346.475 1.487 20 0 EDADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000883891783 597932663 /nfs/dbraw/zinc/93/26/63/597932663.db2.gz CJEBIEAHQFXRME-QGZVFWFLSA-N 2 2 346.475 1.487 20 0 EDADLP CN(C[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1)C(=O)OC(C)(C)C ZINC000880474939 597940618 /nfs/dbraw/zinc/94/06/18/597940618.db2.gz OMWNZVKBHNHFEA-OAHLLOKOSA-N 2 2 341.496 1.774 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000880500579 597949590 /nfs/dbraw/zinc/94/95/90/597949590.db2.gz GICOJCJURWRNKE-CVEARBPZSA-N 2 2 334.464 1.587 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000880604382 597978912 /nfs/dbraw/zinc/97/89/12/597978912.db2.gz VDNFIEWICDCIOS-HNNXBMFYSA-N 2 2 335.452 1.376 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000880604382 597978913 /nfs/dbraw/zinc/97/89/13/597978913.db2.gz VDNFIEWICDCIOS-HNNXBMFYSA-N 2 2 335.452 1.376 20 0 EDADLP CC1(C)C[NH2+]C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000884218027 598032286 /nfs/dbraw/zinc/03/22/86/598032286.db2.gz CINXKTMXUZGWMW-QZTJIDSGSA-N 2 2 345.487 1.292 20 0 EDADLP [NH3+]Cc1ocnc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000884318800 598064597 /nfs/dbraw/zinc/06/45/97/598064597.db2.gz GBLQHFSUHNLGEB-UHFFFAOYSA-N 2 2 336.436 1.098 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CCC[C@@H]([NH2+]CCO)[C@H]4C3)ccn12 ZINC000992695014 695216515 /nfs/dbraw/zinc/21/65/15/695216515.db2.gz SUPVFKFBSHAQCR-YESZJQIVSA-N 2 2 342.443 1.465 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000914219278 695283216 /nfs/dbraw/zinc/28/32/16/695283216.db2.gz QXRHWVCTNKZMFF-KGLIPLIRSA-N 2 2 337.493 1.631 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000914219278 695283217 /nfs/dbraw/zinc/28/32/17/695283217.db2.gz QXRHWVCTNKZMFF-KGLIPLIRSA-N 2 2 337.493 1.631 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c1 ZINC000939856207 699994693 /nfs/dbraw/zinc/99/46/93/699994693.db2.gz KQJNDMGGCGXCOS-PBHICJAKSA-N 2 2 328.416 1.528 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939856163 699994845 /nfs/dbraw/zinc/99/48/45/699994845.db2.gz JQTUUUULOQEZKQ-BLLLJJGKSA-N 2 2 334.370 1.798 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939856769 699995836 /nfs/dbraw/zinc/99/58/36/699995836.db2.gz PMYPOUACTRGVRI-KDOFPFPSSA-N 2 2 340.427 1.550 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC000939856737 699995840 /nfs/dbraw/zinc/99/58/40/699995840.db2.gz PDZDUAANOZDQPO-RHSMWYFYSA-N 2 2 330.407 1.989 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000939857011 699996203 /nfs/dbraw/zinc/99/62/03/699996203.db2.gz RPRCNBXKSGXMST-ZFWWWQNUSA-N 2 2 339.399 1.661 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nncs3)[C@H]2C1 ZINC000992829200 695389149 /nfs/dbraw/zinc/38/91/49/695389149.db2.gz DMZSGBAPPAABLC-FPMFFAJLSA-N 2 2 346.460 1.221 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)s1 ZINC000939855264 699993192 /nfs/dbraw/zinc/99/31/92/699993192.db2.gz CIGVJSLRFYJBTB-BXUZGUMPSA-N 2 2 333.461 1.593 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)on1 ZINC000992924642 695456473 /nfs/dbraw/zinc/45/64/73/695456473.db2.gz MMDYFKZPRAIGDU-BHYGNILZSA-N 2 2 343.431 1.596 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929846481 695641234 /nfs/dbraw/zinc/64/12/34/695641234.db2.gz ONYFIDBYLGTLTF-DLBZAZTESA-N 2 2 335.492 1.717 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](Cc3ccc(CO)cc3)C2)CC1 ZINC001031188646 695707398 /nfs/dbraw/zinc/70/73/98/695707398.db2.gz WHCZGOXGDXUHNT-UHFFFAOYSA-N 2 2 345.487 1.600 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CCC[N@@H+]1CCCO ZINC000994203628 696578368 /nfs/dbraw/zinc/57/83/68/696578368.db2.gz ARKBEOUPSBLCAS-HOCLYGCPSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CCC[N@H+]1CCCO ZINC000994203628 696578371 /nfs/dbraw/zinc/57/83/71/696578371.db2.gz ARKBEOUPSBLCAS-HOCLYGCPSA-N 2 2 343.431 1.232 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000916341569 696652847 /nfs/dbraw/zinc/65/28/47/696652847.db2.gz KVHSDEUWULNVKM-MRXNPFEDSA-N 2 2 347.463 1.272 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000916341569 696652850 /nfs/dbraw/zinc/65/28/50/696652850.db2.gz KVHSDEUWULNVKM-MRXNPFEDSA-N 2 2 347.463 1.272 20 0 EDADLP Cc1nnsc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256075 696658845 /nfs/dbraw/zinc/65/88/45/696658845.db2.gz RIOAOOYBAWBREX-UONOGXRCSA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256075 696658846 /nfs/dbraw/zinc/65/88/46/696658846.db2.gz RIOAOOYBAWBREX-UONOGXRCSA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)o1 ZINC000994422801 696844848 /nfs/dbraw/zinc/84/48/48/696844848.db2.gz NSMALDMMNAFWQR-XJKSGUPXSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)o1 ZINC000994422801 696844852 /nfs/dbraw/zinc/84/48/52/696844852.db2.gz NSMALDMMNAFWQR-XJKSGUPXSA-N 2 2 345.447 1.966 20 0 EDADLP CCn1cc(CC[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cn1 ZINC000994503075 696941017 /nfs/dbraw/zinc/94/10/17/696941017.db2.gz FJWHEMLQBHCIQI-WBVHZDCISA-N 2 2 344.463 1.311 20 0 EDADLP CCn1cc(CC[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cn1 ZINC000994503075 696941018 /nfs/dbraw/zinc/94/10/18/696941018.db2.gz FJWHEMLQBHCIQI-WBVHZDCISA-N 2 2 344.463 1.311 20 0 EDADLP Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994505078 696947791 /nfs/dbraw/zinc/94/77/91/696947791.db2.gz IGNIPQPSUUVCBA-RDJZCZTQSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994505078 696947792 /nfs/dbraw/zinc/94/77/92/696947792.db2.gz IGNIPQPSUUVCBA-RDJZCZTQSA-N 2 2 327.432 1.756 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC3CSC3)CC2)CC1 ZINC000923831093 697008853 /nfs/dbraw/zinc/00/88/53/697008853.db2.gz AGKCWZNVTIVKAG-UHFFFAOYSA-N 2 2 340.537 1.551 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC3CSC3)CC2)CC1 ZINC000923831093 697008856 /nfs/dbraw/zinc/00/88/56/697008856.db2.gz AGKCWZNVTIVKAG-UHFFFAOYSA-N 2 2 340.537 1.551 20 0 EDADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389126 697009373 /nfs/dbraw/zinc/00/93/73/697009373.db2.gz BWHYZOPZUCXKIL-YJBOKZPZSA-N 2 2 331.460 1.047 20 0 EDADLP Cc1ncsc1CC[NH+]1CC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001031431274 697092620 /nfs/dbraw/zinc/09/26/20/697092620.db2.gz ISJSCHDLHZRRFV-STQMWFEESA-N 2 2 336.505 1.667 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC001031440023 697109189 /nfs/dbraw/zinc/10/91/89/697109189.db2.gz OJZZIJCUYMBVAK-RTBURBONSA-N 2 2 345.487 1.265 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000919628754 697305502 /nfs/dbraw/zinc/30/55/02/697305502.db2.gz YDLRDCXOOMKYPR-ZDUSSCGKSA-N 2 2 337.493 1.488 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000919628754 697305504 /nfs/dbraw/zinc/30/55/04/697305504.db2.gz YDLRDCXOOMKYPR-ZDUSSCGKSA-N 2 2 337.493 1.488 20 0 EDADLP Cc1noc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000940083843 700178493 /nfs/dbraw/zinc/17/84/93/700178493.db2.gz YBQVKNQKSYGXDC-UHFFFAOYSA-N 2 2 332.408 1.205 20 0 EDADLP Cc1cncc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)c1 ZINC000943174121 697865595 /nfs/dbraw/zinc/86/55/95/697865595.db2.gz BPPIHFVBNNRKPC-PBHICJAKSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1cncc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)c1 ZINC000943174121 697865599 /nfs/dbraw/zinc/86/55/99/697865599.db2.gz BPPIHFVBNNRKPC-PBHICJAKSA-N 2 2 327.432 1.682 20 0 EDADLP C[C@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767736 698869111 /nfs/dbraw/zinc/86/91/11/698869111.db2.gz YIWUCAVMMQKKNZ-WCQYABFASA-N 2 2 326.391 1.824 20 0 EDADLP C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767736 698869116 /nfs/dbraw/zinc/86/91/16/698869116.db2.gz YIWUCAVMMQKKNZ-WCQYABFASA-N 2 2 326.391 1.824 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995156139 701559643 /nfs/dbraw/zinc/55/96/43/701559643.db2.gz WESPMFXFQOFGKH-KGLIPLIRSA-N 2 2 328.420 1.125 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000995156119 701559722 /nfs/dbraw/zinc/55/97/22/701559722.db2.gz VVPHJMOSCHVFPN-IAGOWNOFSA-N 2 2 342.443 1.519 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000995157347 701564397 /nfs/dbraw/zinc/56/43/97/701564397.db2.gz BRNFHCJDHIEYBG-GDBMZVCRSA-N 2 2 342.447 1.136 20 0 EDADLP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031775206 699141656 /nfs/dbraw/zinc/14/16/56/699141656.db2.gz BUXHBPRNVYEHRZ-MRXNPFEDSA-N 2 2 339.443 1.397 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031777153 699162195 /nfs/dbraw/zinc/16/21/95/699162195.db2.gz WTGATZYAMSYINV-SFHVURJKSA-N 2 2 347.507 1.805 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031777153 699162196 /nfs/dbraw/zinc/16/21/96/699162196.db2.gz WTGATZYAMSYINV-SFHVURJKSA-N 2 2 347.507 1.805 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031779496 699183171 /nfs/dbraw/zinc/18/31/71/699183171.db2.gz SMXCIPJVVSVTCG-NVXWUHKLSA-N 2 2 346.475 1.310 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031779626 699184072 /nfs/dbraw/zinc/18/40/72/699184072.db2.gz XJEDJFAINBTJHA-AWEZNQCLSA-N 2 2 345.472 1.193 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031779627 699184083 /nfs/dbraw/zinc/18/40/83/699184083.db2.gz XJEDJFAINBTJHA-CQSZACIVSA-N 2 2 345.472 1.193 20 0 EDADLP CCn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC000995159394 701572196 /nfs/dbraw/zinc/57/21/96/701572196.db2.gz IXGIRNCYKOSNMP-HUUCEWRRSA-N 2 2 344.463 1.254 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000995161361 701582520 /nfs/dbraw/zinc/58/25/20/701582520.db2.gz PFUDARRSOPFNDJ-KBPBESRZSA-N 2 2 331.420 1.334 20 0 EDADLP CC[C@H](F)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566290 701585182 /nfs/dbraw/zinc/58/51/82/701585182.db2.gz AKEWANBBKFRLCU-CVEARBPZSA-N 2 2 340.487 1.047 20 0 EDADLP CC(C)=CC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941587842 701591319 /nfs/dbraw/zinc/59/13/19/701591319.db2.gz WOWDQASCVGLZDT-QGZVFWFLSA-N 2 2 345.491 1.629 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939256910 699433976 /nfs/dbraw/zinc/43/39/76/699433976.db2.gz GLWQKRDGQJPKCT-SWLSCSKDSA-N 2 2 335.452 1.046 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939257793 699435470 /nfs/dbraw/zinc/43/54/70/699435470.db2.gz OAIAVRYVZABEPC-HIFRSBDPSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)oc1C ZINC000939394446 699544601 /nfs/dbraw/zinc/54/46/01/699544601.db2.gz BWCFNHORTCPSAK-PBHICJAKSA-N 2 2 348.491 1.960 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939409548 699563777 /nfs/dbraw/zinc/56/37/77/699563777.db2.gz VJTYTZCEVICKHA-NHYWBVRUSA-N 2 2 331.420 1.448 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939534447 699675560 /nfs/dbraw/zinc/67/55/60/699675560.db2.gz KEOISFODOGBLGV-YVEFUNNKSA-N 2 2 345.447 1.458 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939537359 699678216 /nfs/dbraw/zinc/67/82/16/699678216.db2.gz ZSXGPPDWFZUISJ-WMLDXEAASA-N 2 2 327.432 1.303 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1nccn1C ZINC000939551217 699700511 /nfs/dbraw/zinc/70/05/11/699700511.db2.gz RGBIUWUPLRBZKF-UKRRQHHQSA-N 2 2 342.447 1.131 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)o1 ZINC000939627192 699765056 /nfs/dbraw/zinc/76/50/56/699765056.db2.gz QWEUNRMSDYVNPH-ABAIWWIYSA-N 2 2 345.447 1.756 20 0 EDADLP CC[C@@H](C(=O)N1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1)[NH+](C)C ZINC000941671178 701613351 /nfs/dbraw/zinc/61/33/51/701613351.db2.gz DIZTWKRIKLFDBV-AWEZNQCLSA-N 2 2 349.479 1.088 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccon3)C2)c[nH+]1 ZINC000994993125 699821022 /nfs/dbraw/zinc/82/10/22/699821022.db2.gz ZMRRTPCEEVCGLI-CABCVRRESA-N 2 2 345.447 1.989 20 0 EDADLP C[C@H](CC(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1)n1cc[nH+]c1 ZINC000940357128 700518849 /nfs/dbraw/zinc/51/88/49/700518849.db2.gz DXPLXMXZBGAVNQ-CYBMUJFWSA-N 2 2 348.476 1.857 20 0 EDADLP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397773 700594803 /nfs/dbraw/zinc/59/48/03/700594803.db2.gz RGTYSMNVBOHDSH-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP CCc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000940484359 700671837 /nfs/dbraw/zinc/67/18/37/700671837.db2.gz XXKCKTMFBFBLOA-UHFFFAOYSA-N 2 2 345.447 1.913 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968472 701660774 /nfs/dbraw/zinc/66/07/74/701660774.db2.gz XXBNXYRBDSBPOR-DZGCQCFKSA-N 2 2 332.448 1.304 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940620723 700781766 /nfs/dbraw/zinc/78/17/66/700781766.db2.gz JITZPAHNLYALCZ-KBPBESRZSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940620723 700781767 /nfs/dbraw/zinc/78/17/67/700781767.db2.gz JITZPAHNLYALCZ-KBPBESRZSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940620723 700781768 /nfs/dbraw/zinc/78/17/68/700781768.db2.gz JITZPAHNLYALCZ-KBPBESRZSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940620723 700781769 /nfs/dbraw/zinc/78/17/69/700781769.db2.gz JITZPAHNLYALCZ-KBPBESRZSA-N 2 2 335.452 1.189 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850969 700952039 /nfs/dbraw/zinc/95/20/39/700952039.db2.gz QZOPOHTVBFDNMD-CABCVRRESA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850969 700952041 /nfs/dbraw/zinc/95/20/41/700952041.db2.gz QZOPOHTVBFDNMD-CABCVRRESA-N 2 2 334.464 1.309 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)s1 ZINC000995109875 700973627 /nfs/dbraw/zinc/97/36/27/700973627.db2.gz XPLJNVAURIUQTF-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000941022173 701062725 /nfs/dbraw/zinc/06/27/25/701062725.db2.gz LJCUNDWJNYRLGD-HIFRSBDPSA-N 2 2 334.464 1.429 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000941022173 701062727 /nfs/dbraw/zinc/06/27/27/701062727.db2.gz LJCUNDWJNYRLGD-HIFRSBDPSA-N 2 2 334.464 1.429 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033921 701076627 /nfs/dbraw/zinc/07/66/27/701076627.db2.gz XVOOBRCCKRULHT-XJKSGUPXSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033921 701076630 /nfs/dbraw/zinc/07/66/30/701076630.db2.gz XVOOBRCCKRULHT-XJKSGUPXSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033921 701076631 /nfs/dbraw/zinc/07/66/31/701076631.db2.gz XVOOBRCCKRULHT-XJKSGUPXSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033921 701076632 /nfs/dbraw/zinc/07/66/32/701076632.db2.gz XVOOBRCCKRULHT-XJKSGUPXSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031932044 701392809 /nfs/dbraw/zinc/39/28/09/701392809.db2.gz QWTXIVYCHPHTOE-UHFFFAOYSA-N 2 2 332.404 1.499 20 0 EDADLP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000941444687 701536353 /nfs/dbraw/zinc/53/63/53/701536353.db2.gz UWZMKBFLUSCZHD-USXIJHARSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)no1 ZINC000995181954 701990384 /nfs/dbraw/zinc/99/03/84/701990384.db2.gz IIEOBVFXCQILEE-ZIAGYGMSSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000995180746 701997235 /nfs/dbraw/zinc/99/72/35/701997235.db2.gz FYYITBUUGHIRGY-CHWSQXEVSA-N 2 2 333.461 1.792 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(C)no3)C2)CC[N@@H+]1C ZINC000999204358 706635425 /nfs/dbraw/zinc/63/54/25/706635425.db2.gz FHGIEOANNHRTEA-SOUVJXGZSA-N 2 2 335.452 1.189 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(C)no3)C2)CC[N@H+]1C ZINC000999204358 706635428 /nfs/dbraw/zinc/63/54/28/706635428.db2.gz FHGIEOANNHRTEA-SOUVJXGZSA-N 2 2 335.452 1.189 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001032206118 702128306 /nfs/dbraw/zinc/12/83/06/702128306.db2.gz SEQMECAZTMDZQF-KRWDZBQOSA-N 2 2 334.439 1.643 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001032206118 702128308 /nfs/dbraw/zinc/12/83/08/702128308.db2.gz SEQMECAZTMDZQF-KRWDZBQOSA-N 2 2 334.439 1.643 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC000995187213 702174865 /nfs/dbraw/zinc/17/48/65/702174865.db2.gz RGWCAISAZYUSPY-VXGBXAGGSA-N 2 2 334.449 1.187 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC000995186103 702181684 /nfs/dbraw/zinc/18/16/84/702181684.db2.gz ONAMJWYRCOOEGM-CABCVRRESA-N 2 2 342.447 1.434 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995189216 702226745 /nfs/dbraw/zinc/22/67/45/702226745.db2.gz ZKAVZCLCZSBPNS-BBRMVZONSA-N 2 2 345.422 1.869 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3nsc4ccccc43)C2)C1 ZINC001032186812 702284996 /nfs/dbraw/zinc/28/49/96/702284996.db2.gz XHKRXYUDXSJYFM-AWEZNQCLSA-N 2 2 344.484 1.796 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3nsc4ccccc43)C2)C1 ZINC001032186812 702284998 /nfs/dbraw/zinc/28/49/98/702284998.db2.gz XHKRXYUDXSJYFM-AWEZNQCLSA-N 2 2 344.484 1.796 20 0 EDADLP C[C@@H]1C[N@H+](CCF)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944121119 702288745 /nfs/dbraw/zinc/28/87/45/702288745.db2.gz IDPBPLHPZUWQKP-UKRRQHHQSA-N 2 2 331.395 1.677 20 0 EDADLP C[C@@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944121119 702288748 /nfs/dbraw/zinc/28/87/48/702288748.db2.gz IDPBPLHPZUWQKP-UKRRQHHQSA-N 2 2 331.395 1.677 20 0 EDADLP CCc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000995192401 702305466 /nfs/dbraw/zinc/30/54/66/702305466.db2.gz BVUQIHVGARDGPN-LSDHHAIUSA-N 2 2 345.447 1.817 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995965473 702311262 /nfs/dbraw/zinc/31/12/62/702311262.db2.gz CFZHVGNJUHLNBJ-UONOGXRCSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995965473 702311267 /nfs/dbraw/zinc/31/12/67/702311267.db2.gz CFZHVGNJUHLNBJ-UONOGXRCSA-N 2 2 335.452 1.189 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944170449 702414251 /nfs/dbraw/zinc/41/42/51/702414251.db2.gz UAOZMGOJOAZGNY-KGLIPLIRSA-N 2 2 347.463 1.054 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)n1 ZINC000944170449 702414253 /nfs/dbraw/zinc/41/42/53/702414253.db2.gz UAOZMGOJOAZGNY-KGLIPLIRSA-N 2 2 347.463 1.054 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+][C@H](C)c2csnn2)C(C)(C)C1 ZINC000996044807 702438803 /nfs/dbraw/zinc/43/88/03/702438803.db2.gz VNMUJDXQSBVQEN-OCCSQVGLSA-N 2 2 348.476 1.631 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2csnn2)C(C)(C)C1 ZINC000996044805 702439015 /nfs/dbraw/zinc/43/90/15/702439015.db2.gz VNMUJDXQSBVQEN-GXTWGEPZSA-N 2 2 348.476 1.631 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996299966 702691064 /nfs/dbraw/zinc/69/10/64/702691064.db2.gz HOWZQNNADWZYPP-HIFRSBDPSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996299966 702691065 /nfs/dbraw/zinc/69/10/65/702691065.db2.gz HOWZQNNADWZYPP-HIFRSBDPSA-N 2 2 334.464 1.794 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000996302623 702694871 /nfs/dbraw/zinc/69/48/71/702694871.db2.gz XYLULNIQIYTWBZ-OCCSQVGLSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000996302623 702694872 /nfs/dbraw/zinc/69/48/72/702694872.db2.gz XYLULNIQIYTWBZ-OCCSQVGLSA-N 2 2 337.493 1.349 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996357570 702734623 /nfs/dbraw/zinc/73/46/23/702734623.db2.gz YJLXVVXZRDLAQS-MRXNPFEDSA-N 2 2 345.447 1.838 20 0 EDADLP C[C@@H](CC(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1)n1cc[nH+]c1 ZINC000996359736 702735550 /nfs/dbraw/zinc/73/55/50/702735550.db2.gz FHPUXYBUSVZYNL-HOCLYGCPSA-N 2 2 344.463 1.595 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000996458945 702803350 /nfs/dbraw/zinc/80/33/50/702803350.db2.gz YCLMLJFIXYVJFV-HNNXBMFYSA-N 2 2 334.464 1.596 20 0 EDADLP COc1ccnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000995231283 702827847 /nfs/dbraw/zinc/82/78/47/702827847.db2.gz AOVHPGMTOVCUKE-GJZGRUSLSA-N 2 2 343.431 1.361 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)o1 ZINC000996520153 702856184 /nfs/dbraw/zinc/85/61/84/702856184.db2.gz NLWXULDOSZMTQI-ZDUSSCGKSA-N 2 2 347.463 1.054 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1 ZINC000996569688 702881921 /nfs/dbraw/zinc/88/19/21/702881921.db2.gz UOEXHWPTAGMJGP-WBVHZDCISA-N 2 2 348.491 1.606 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1 ZINC000996576281 702889600 /nfs/dbraw/zinc/88/96/00/702889600.db2.gz WSOAQJFTUPKAFE-ZBFHGGJFSA-N 2 2 334.464 1.216 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996608095 702911493 /nfs/dbraw/zinc/91/14/93/702911493.db2.gz FYDBKWZWDZLTKB-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996608095 702911496 /nfs/dbraw/zinc/91/14/96/702911496.db2.gz FYDBKWZWDZLTKB-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+][C@H](C)c2ncccn2)C(C)(C)C1 ZINC000996608724 702912280 /nfs/dbraw/zinc/91/22/80/702912280.db2.gz FBAHSTKJRHCWRK-HIFRSBDPSA-N 2 2 342.447 1.569 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000996609439 702920270 /nfs/dbraw/zinc/92/02/70/702920270.db2.gz GTSVRLXACVRTFS-ZDUSSCGKSA-N 2 2 334.449 1.070 20 0 EDADLP Cc1ncsc1CC[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996653148 702942689 /nfs/dbraw/zinc/94/26/89/702942689.db2.gz YWWUVDOQOSQQCP-UHFFFAOYSA-N 2 2 347.488 1.931 20 0 EDADLP Cc1ncsc1CC[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996653148 702942692 /nfs/dbraw/zinc/94/26/92/702942692.db2.gz YWWUVDOQOSQQCP-UHFFFAOYSA-N 2 2 347.488 1.931 20 0 EDADLP CC1(C)CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1[NH2+]CCF ZINC000996665958 702968350 /nfs/dbraw/zinc/96/83/50/702968350.db2.gz TXYVOEJFJQJWIH-OAHLLOKOSA-N 2 2 339.480 1.902 20 0 EDADLP CC1(C)CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1[NH2+]CCF ZINC000996665958 702968351 /nfs/dbraw/zinc/96/83/51/702968351.db2.gz TXYVOEJFJQJWIH-OAHLLOKOSA-N 2 2 339.480 1.902 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000995251255 702976623 /nfs/dbraw/zinc/97/66/23/702976623.db2.gz PVAAEIDQWAFHKG-STQMWFEESA-N 2 2 334.449 1.118 20 0 EDADLP Cc1cnc([C@H](C)[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996711135 703005726 /nfs/dbraw/zinc/00/57/26/703005726.db2.gz BDTWAZIUPDXVAV-HOCLYGCPSA-N 2 2 342.447 1.569 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)ccn1 ZINC000996712506 703007473 /nfs/dbraw/zinc/00/74/73/703007473.db2.gz FMPIPBBFWCFOFA-OAHLLOKOSA-N 2 2 343.431 1.314 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996713414 703008664 /nfs/dbraw/zinc/00/86/64/703008664.db2.gz IVZXGBPIVDIYIH-HNNXBMFYSA-N 2 2 331.420 1.515 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996717683 703011451 /nfs/dbraw/zinc/01/14/51/703011451.db2.gz QUQUHMBSNRUDAW-UHFFFAOYSA-N 2 2 347.459 1.640 20 0 EDADLP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996718541 703012267 /nfs/dbraw/zinc/01/22/67/703012267.db2.gz ZGZPOEKAJXVGEF-OAHLLOKOSA-N 2 2 347.488 1.717 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C[C@H]1C ZINC000942519052 703020404 /nfs/dbraw/zinc/02/04/04/703020404.db2.gz YSEJOSCYRCRMBD-DYVFJYSZSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)cn2)C[C@H]1C ZINC000942519052 703020409 /nfs/dbraw/zinc/02/04/09/703020409.db2.gz YSEJOSCYRCRMBD-DYVFJYSZSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)C[C@H]1C ZINC000942519041 703020454 /nfs/dbraw/zinc/02/04/54/703020454.db2.gz YQHRWZOSETUMGX-WBMJQRKESA-N 2 2 331.420 1.515 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)C[C@H]1C ZINC000942519041 703020458 /nfs/dbraw/zinc/02/04/58/703020458.db2.gz YQHRWZOSETUMGX-WBMJQRKESA-N 2 2 331.420 1.515 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996728136 703021973 /nfs/dbraw/zinc/02/19/73/703021973.db2.gz AADFFEWVDOFNFR-CRAIPNDOSA-N 2 2 346.475 1.595 20 0 EDADLP CC(C)[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000996764187 703056369 /nfs/dbraw/zinc/05/63/69/703056369.db2.gz KJEQQHUFUKOAQS-ABHNRTSZSA-N 2 2 336.524 1.534 20 0 EDADLP CC(C)[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000996764187 703056371 /nfs/dbraw/zinc/05/63/71/703056371.db2.gz KJEQQHUFUKOAQS-ABHNRTSZSA-N 2 2 336.524 1.534 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996799936 703086057 /nfs/dbraw/zinc/08/60/57/703086057.db2.gz NGOVQJMIHKVDPL-UHFFFAOYSA-N 2 2 342.443 1.955 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996801397 703087421 /nfs/dbraw/zinc/08/74/21/703087421.db2.gz WAYDLOBETREDGB-UHFFFAOYSA-N 2 2 338.415 1.425 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596764 703111468 /nfs/dbraw/zinc/11/14/68/703111468.db2.gz GBLINNNWLBPRAT-UKRRQHHQSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596764 703111469 /nfs/dbraw/zinc/11/14/69/703111469.db2.gz GBLINNNWLBPRAT-UKRRQHHQSA-N 2 2 349.479 1.300 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996833622 703116208 /nfs/dbraw/zinc/11/62/08/703116208.db2.gz KMIVLHKSOVZAIT-UHFFFAOYSA-N 2 2 333.461 1.590 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001032332762 703116322 /nfs/dbraw/zinc/11/63/22/703116322.db2.gz DFVPPXKOPAKHLF-BZSNNMDCSA-N 2 2 329.444 1.111 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001032332762 703116324 /nfs/dbraw/zinc/11/63/24/703116324.db2.gz DFVPPXKOPAKHLF-BZSNNMDCSA-N 2 2 329.444 1.111 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)cc1 ZINC001032332762 703116326 /nfs/dbraw/zinc/11/63/26/703116326.db2.gz DFVPPXKOPAKHLF-BZSNNMDCSA-N 2 2 329.444 1.111 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)cc1 ZINC001032332762 703116328 /nfs/dbraw/zinc/11/63/28/703116328.db2.gz DFVPPXKOPAKHLF-BZSNNMDCSA-N 2 2 329.444 1.111 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996834347 703122056 /nfs/dbraw/zinc/12/20/56/703122056.db2.gz NPYZUXJWJQIQRE-OAHLLOKOSA-N 2 2 334.464 1.360 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996855210 703133683 /nfs/dbraw/zinc/13/36/83/703133683.db2.gz FSGLBBHHUFOIRF-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996855210 703133684 /nfs/dbraw/zinc/13/36/84/703133684.db2.gz FSGLBBHHUFOIRF-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)no1 ZINC000996947508 703217166 /nfs/dbraw/zinc/21/71/66/703217166.db2.gz TYUNSZPESXYHSO-UHFFFAOYSA-N 2 2 349.479 1.615 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000996994366 703250606 /nfs/dbraw/zinc/25/06/06/703250606.db2.gz HRFDOLKEWRXSEY-CQSZACIVSA-N 2 2 349.479 1.445 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000996994366 703250608 /nfs/dbraw/zinc/25/06/08/703250608.db2.gz HRFDOLKEWRXSEY-CQSZACIVSA-N 2 2 349.479 1.445 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)on1 ZINC000996996302 703259845 /nfs/dbraw/zinc/25/98/45/703259845.db2.gz QDEOLPOSVOXWOO-OAHLLOKOSA-N 2 2 343.431 1.907 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000997026600 703278829 /nfs/dbraw/zinc/27/88/29/703278829.db2.gz KQMISTKPIKIQFI-HUUCEWRRSA-N 2 2 345.472 1.761 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)o1 ZINC000997045823 703294635 /nfs/dbraw/zinc/29/46/35/703294635.db2.gz NPFFYKZKQJCDBW-ZDUSSCGKSA-N 2 2 331.420 1.911 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)o1 ZINC000997046952 703295290 /nfs/dbraw/zinc/29/52/90/703295290.db2.gz RRTRXZLPVBMRNB-GFCCVEGCSA-N 2 2 332.408 1.306 20 0 EDADLP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997084237 703322490 /nfs/dbraw/zinc/32/24/90/703322490.db2.gz LIRCOZYSBHJXMJ-CQSZACIVSA-N 2 2 344.463 1.586 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997121696 703378318 /nfs/dbraw/zinc/37/83/18/703378318.db2.gz AFASGPUZWILNBJ-UHFFFAOYSA-N 2 2 331.420 1.592 20 0 EDADLP Cn1c[nH+]cc1CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404533 703424748 /nfs/dbraw/zinc/42/47/48/703424748.db2.gz LTWDBRBRCGFSPX-HOTGVXAUSA-N 2 2 345.491 1.470 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)on1 ZINC000997182327 703467397 /nfs/dbraw/zinc/46/73/97/703467397.db2.gz IYXINNSAGNPWIW-UHFFFAOYSA-N 2 2 331.420 1.765 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)sn1 ZINC000997181213 703471508 /nfs/dbraw/zinc/47/15/08/703471508.db2.gz XCSSYWIIZIZVQM-UHFFFAOYSA-N 2 2 333.461 1.508 20 0 EDADLP Cc1nccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032456164 703633862 /nfs/dbraw/zinc/63/38/62/703633862.db2.gz KAZWWNGOHISCOG-IKGGRYGDSA-N 2 2 343.475 1.445 20 0 EDADLP Cc1nccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001032456164 703633864 /nfs/dbraw/zinc/63/38/64/703633864.db2.gz KAZWWNGOHISCOG-IKGGRYGDSA-N 2 2 343.475 1.445 20 0 EDADLP Cc1nccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032456164 703633865 /nfs/dbraw/zinc/63/38/65/703633865.db2.gz KAZWWNGOHISCOG-IKGGRYGDSA-N 2 2 343.475 1.445 20 0 EDADLP Cc1nccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032456164 703633867 /nfs/dbraw/zinc/63/38/67/703633867.db2.gz KAZWWNGOHISCOG-IKGGRYGDSA-N 2 2 343.475 1.445 20 0 EDADLP CC(C)Cc1noc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000997412588 703668113 /nfs/dbraw/zinc/66/81/13/703668113.db2.gz GTPITGOEJXYCPO-UHFFFAOYSA-N 2 2 346.435 1.245 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000997413991 703668743 /nfs/dbraw/zinc/66/87/43/703668743.db2.gz YMODNPIPSMKNBK-UHFFFAOYSA-N 2 2 334.370 1.942 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001015997281 703724921 /nfs/dbraw/zinc/72/49/21/703724921.db2.gz ZJTYWPSTIKRMPR-NWDGAFQWSA-N 2 2 345.274 1.737 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001015997281 703724922 /nfs/dbraw/zinc/72/49/22/703724922.db2.gz ZJTYWPSTIKRMPR-NWDGAFQWSA-N 2 2 345.274 1.737 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032486031 703744075 /nfs/dbraw/zinc/74/40/75/703744075.db2.gz IDVABPPJQYHEKW-ULQDDVLXSA-N 2 2 344.459 1.157 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032486031 703744076 /nfs/dbraw/zinc/74/40/76/703744076.db2.gz IDVABPPJQYHEKW-ULQDDVLXSA-N 2 2 344.459 1.157 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995549839 703933355 /nfs/dbraw/zinc/93/33/55/703933355.db2.gz FZIPNTCMKYSEGP-CHWSQXEVSA-N 2 2 335.452 1.053 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995549839 703933359 /nfs/dbraw/zinc/93/33/59/703933359.db2.gz FZIPNTCMKYSEGP-CHWSQXEVSA-N 2 2 335.452 1.053 20 0 EDADLP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032523408 703979599 /nfs/dbraw/zinc/97/95/99/703979599.db2.gz XCFJADCEOVFBGK-KKUMJFAQSA-N 2 2 334.439 1.795 20 0 EDADLP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032523408 703979601 /nfs/dbraw/zinc/97/96/01/703979601.db2.gz XCFJADCEOVFBGK-KKUMJFAQSA-N 2 2 334.439 1.795 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCCC2CCOCC2)CC1 ZINC001004256211 704083372 /nfs/dbraw/zinc/08/33/72/704083372.db2.gz DAEQIJPPFJFBBO-UHFFFAOYSA-N 2 2 334.464 1.671 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033073979 704114811 /nfs/dbraw/zinc/11/48/11/704114811.db2.gz VMHNTEPIYCPIMY-NVXWUHKLSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033073979 704114813 /nfs/dbraw/zinc/11/48/13/704114813.db2.gz VMHNTEPIYCPIMY-NVXWUHKLSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033073979 704114814 /nfs/dbraw/zinc/11/48/14/704114814.db2.gz VMHNTEPIYCPIMY-NVXWUHKLSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033073979 704114816 /nfs/dbraw/zinc/11/48/16/704114816.db2.gz VMHNTEPIYCPIMY-NVXWUHKLSA-N 2 2 333.480 1.326 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC001033081045 704135834 /nfs/dbraw/zinc/13/58/34/704135834.db2.gz LEIUOCMSVLQZET-IAGOWNOFSA-N 2 2 346.475 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC001033081045 704135835 /nfs/dbraw/zinc/13/58/35/704135835.db2.gz LEIUOCMSVLQZET-IAGOWNOFSA-N 2 2 346.475 1.666 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033080211 704145656 /nfs/dbraw/zinc/14/56/56/704145656.db2.gz FPABKHNXHVRYPN-CVEARBPZSA-N 2 2 332.448 1.358 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033080211 704145658 /nfs/dbraw/zinc/14/56/58/704145658.db2.gz FPABKHNXHVRYPN-CVEARBPZSA-N 2 2 332.448 1.358 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001033084197 704153693 /nfs/dbraw/zinc/15/36/93/704153693.db2.gz XOYWLWUEQFGTCD-ROUUACIJSA-N 2 2 345.491 1.691 20 0 EDADLP 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ZABCBTUXDQEBRL-GOEBONIOSA-N 2 2 334.464 1.358 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033208408 707675819 /nfs/dbraw/zinc/67/58/19/707675819.db2.gz NWRAGJMTFCWXLV-CHWSQXEVSA-N 2 2 344.381 1.931 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033208408 707675822 /nfs/dbraw/zinc/67/58/22/707675822.db2.gz NWRAGJMTFCWXLV-CHWSQXEVSA-N 2 2 344.381 1.931 20 0 EDADLP C[C@H](C[NH2+]Cc1csc(-c2ccn(C)n2)n1)N1CC[NH+](C)CC1 ZINC000921690269 707719813 /nfs/dbraw/zinc/71/98/13/707719813.db2.gz PEAMZAWAFAKRNB-CYBMUJFWSA-N 2 2 334.493 1.269 20 0 EDADLP C[C@@H](c1ncccn1)[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395791 707733865 /nfs/dbraw/zinc/73/38/65/707733865.db2.gz KEYUPHMXMNZHRB-HOCLYGCPSA-N 2 2 331.464 1.412 20 0 EDADLP C[C@@H](c1ncccn1)[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395791 707733870 /nfs/dbraw/zinc/73/38/70/707733870.db2.gz KEYUPHMXMNZHRB-HOCLYGCPSA-N 2 2 331.464 1.412 20 0 EDADLP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733367 707740963 /nfs/dbraw/zinc/74/09/63/707740963.db2.gz SAOCOLLSLUWGIN-GJZGRUSLSA-N 2 2 345.472 1.255 20 0 EDADLP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733367 707740967 /nfs/dbraw/zinc/74/09/67/707740967.db2.gz SAOCOLLSLUWGIN-GJZGRUSLSA-N 2 2 345.472 1.255 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004963337 707789164 /nfs/dbraw/zinc/78/91/64/707789164.db2.gz FLURTPIVRPIZNY-GXTWGEPZSA-N 2 2 331.420 1.808 20 0 EDADLP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004968977 707792300 /nfs/dbraw/zinc/79/23/00/707792300.db2.gz YDDLEDJFXWVALP-UKRRQHHQSA-N 2 2 330.436 1.245 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)c1 ZINC001033416496 707796397 /nfs/dbraw/zinc/79/63/97/707796397.db2.gz PZLAJGFKUAHTIY-NVXWUHKLSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)c1 ZINC001033416496 707796399 /nfs/dbraw/zinc/79/63/99/707796399.db2.gz PZLAJGFKUAHTIY-NVXWUHKLSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)c1 ZINC001033416496 707796402 /nfs/dbraw/zinc/79/64/02/707796402.db2.gz PZLAJGFKUAHTIY-NVXWUHKLSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)c1 ZINC001033416496 707796404 /nfs/dbraw/zinc/79/64/04/707796404.db2.gz PZLAJGFKUAHTIY-NVXWUHKLSA-N 2 2 346.475 1.607 20 0 EDADLP Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984326 707831460 /nfs/dbraw/zinc/83/14/60/707831460.db2.gz VUKYCLFPBARRIU-SUMWQHHRSA-N 2 2 345.447 1.818 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001033466317 707923577 /nfs/dbraw/zinc/92/35/77/707923577.db2.gz JRSHKVOWGVNNME-CABCVRRESA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001033466317 707923579 /nfs/dbraw/zinc/92/35/79/707923579.db2.gz JRSHKVOWGVNNME-CABCVRRESA-N 2 2 349.479 1.016 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001000386917 708001074 /nfs/dbraw/zinc/00/10/74/708001074.db2.gz GGRGJNNLYGAUMN-HNNXBMFYSA-N 2 2 335.452 1.191 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2C)C1 ZINC001032792948 708049837 /nfs/dbraw/zinc/04/98/37/708049837.db2.gz QMVQVEYHWFBACG-FHWLQOOXSA-N 2 2 343.471 1.501 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2C)C1 ZINC001032792948 708049839 /nfs/dbraw/zinc/04/98/39/708049839.db2.gz QMVQVEYHWFBACG-FHWLQOOXSA-N 2 2 343.471 1.501 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2C)C1 ZINC001032792948 708049841 /nfs/dbraw/zinc/04/98/41/708049841.db2.gz QMVQVEYHWFBACG-FHWLQOOXSA-N 2 2 343.471 1.501 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2C)C1 ZINC001032792948 708049843 /nfs/dbraw/zinc/04/98/43/708049843.db2.gz QMVQVEYHWFBACG-FHWLQOOXSA-N 2 2 343.471 1.501 20 0 EDADLP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033553925 708218865 /nfs/dbraw/zinc/21/88/65/708218865.db2.gz MFCQXHPPZUCMNZ-PBHICJAKSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001033553925 708218869 /nfs/dbraw/zinc/21/88/69/708218869.db2.gz MFCQXHPPZUCMNZ-PBHICJAKSA-N 2 2 328.416 1.399 20 0 EDADLP Cc1cccnc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005208202 708229357 /nfs/dbraw/zinc/22/93/57/708229357.db2.gz CTYVWVHLNZMZCO-GOSISDBHSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1cccnc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005208202 708229360 /nfs/dbraw/zinc/22/93/60/708229360.db2.gz CTYVWVHLNZMZCO-GOSISDBHSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033592355 708290716 /nfs/dbraw/zinc/29/07/16/708290716.db2.gz FZBFNBFBBWNMQZ-GXTWGEPZSA-N 2 2 333.436 1.068 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033592355 708290717 /nfs/dbraw/zinc/29/07/17/708290717.db2.gz FZBFNBFBBWNMQZ-GXTWGEPZSA-N 2 2 333.436 1.068 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617473 708345120 /nfs/dbraw/zinc/34/51/20/708345120.db2.gz UWHUXQWBWQCQGB-AWEZNQCLSA-N 2 2 347.488 1.801 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617473 708345124 /nfs/dbraw/zinc/34/51/24/708345124.db2.gz UWHUXQWBWQCQGB-AWEZNQCLSA-N 2 2 347.488 1.801 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC001033658198 708428968 /nfs/dbraw/zinc/42/89/68/708428968.db2.gz RHLFOOHDEBLVKW-MRXNPFEDSA-N 2 2 332.448 1.219 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC001033658198 708428970 /nfs/dbraw/zinc/42/89/70/708428970.db2.gz RHLFOOHDEBLVKW-MRXNPFEDSA-N 2 2 332.448 1.219 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)s1 ZINC001033666277 708451008 /nfs/dbraw/zinc/45/10/08/708451008.db2.gz VLYVNHGWYJIMCS-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)s1 ZINC001033666277 708451009 /nfs/dbraw/zinc/45/10/09/708451009.db2.gz VLYVNHGWYJIMCS-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033660013 708472251 /nfs/dbraw/zinc/47/22/51/708472251.db2.gz GPUSMVWXMMBNGQ-DOTOQJQBSA-N 2 2 333.480 1.448 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033660013 708472254 /nfs/dbraw/zinc/47/22/54/708472254.db2.gz GPUSMVWXMMBNGQ-DOTOQJQBSA-N 2 2 333.480 1.448 20 0 EDADLP CC(C)n1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033660013 708472256 /nfs/dbraw/zinc/47/22/56/708472256.db2.gz GPUSMVWXMMBNGQ-DOTOQJQBSA-N 2 2 333.480 1.448 20 0 EDADLP CC(C)n1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033660013 708472260 /nfs/dbraw/zinc/47/22/60/708472260.db2.gz GPUSMVWXMMBNGQ-DOTOQJQBSA-N 2 2 333.480 1.448 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c(C)s1 ZINC001033661602 708474788 /nfs/dbraw/zinc/47/47/88/708474788.db2.gz LUIPWBYYHFQXQQ-HUUCEWRRSA-N 2 2 336.505 1.744 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c(C)s1 ZINC001033661602 708474791 /nfs/dbraw/zinc/47/47/91/708474791.db2.gz LUIPWBYYHFQXQQ-HUUCEWRRSA-N 2 2 336.505 1.744 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001033661602 708474792 /nfs/dbraw/zinc/47/47/92/708474792.db2.gz LUIPWBYYHFQXQQ-HUUCEWRRSA-N 2 2 336.505 1.744 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001033661602 708474794 /nfs/dbraw/zinc/47/47/94/708474794.db2.gz LUIPWBYYHFQXQQ-HUUCEWRRSA-N 2 2 336.505 1.744 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001033680625 708491518 /nfs/dbraw/zinc/49/15/18/708491518.db2.gz PTXJYYOGIAIJQP-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001033680625 708491519 /nfs/dbraw/zinc/49/15/19/708491519.db2.gz PTXJYYOGIAIJQP-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001033680625 708491520 /nfs/dbraw/zinc/49/15/20/708491520.db2.gz PTXJYYOGIAIJQP-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001033680625 708491522 /nfs/dbraw/zinc/49/15/22/708491522.db2.gz PTXJYYOGIAIJQP-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033684144 708496418 /nfs/dbraw/zinc/49/64/18/708496418.db2.gz DRYFESSSQKRTIE-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033684144 708496420 /nfs/dbraw/zinc/49/64/20/708496420.db2.gz DRYFESSSQKRTIE-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033684144 708496422 /nfs/dbraw/zinc/49/64/22/708496422.db2.gz DRYFESSSQKRTIE-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033684144 708496423 /nfs/dbraw/zinc/49/64/23/708496423.db2.gz DRYFESSSQKRTIE-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC001033704454 708533290 /nfs/dbraw/zinc/53/32/90/708533290.db2.gz VOUOKZFNHQXUQP-QZTJIDSGSA-N 2 2 342.443 1.019 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC001033704454 708533293 /nfs/dbraw/zinc/53/32/93/708533293.db2.gz VOUOKZFNHQXUQP-QZTJIDSGSA-N 2 2 342.443 1.019 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC001033704466 708533303 /nfs/dbraw/zinc/53/33/03/708533303.db2.gz VRUQMGHAOGHQJK-OAHLLOKOSA-N 2 2 346.406 1.634 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC001033704466 708533307 /nfs/dbraw/zinc/53/33/07/708533307.db2.gz VRUQMGHAOGHQJK-OAHLLOKOSA-N 2 2 346.406 1.634 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC001033706999 708538877 /nfs/dbraw/zinc/53/88/77/708538877.db2.gz OZECDKUDCZHVHJ-MRXNPFEDSA-N 2 2 346.406 1.634 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC001033706999 708538879 /nfs/dbraw/zinc/53/88/79/708538879.db2.gz OZECDKUDCZHVHJ-MRXNPFEDSA-N 2 2 346.406 1.634 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033789956 708701021 /nfs/dbraw/zinc/70/10/21/708701021.db2.gz RGTYRMUSNMPWEU-ROUUACIJSA-N 2 2 335.492 1.740 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033789956 708701023 /nfs/dbraw/zinc/70/10/23/708701023.db2.gz RGTYRMUSNMPWEU-ROUUACIJSA-N 2 2 335.492 1.740 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033789956 708701025 /nfs/dbraw/zinc/70/10/25/708701025.db2.gz RGTYRMUSNMPWEU-ROUUACIJSA-N 2 2 335.492 1.740 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033789956 708701026 /nfs/dbraw/zinc/70/10/26/708701026.db2.gz RGTYRMUSNMPWEU-ROUUACIJSA-N 2 2 335.492 1.740 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC001033830541 708852386 /nfs/dbraw/zinc/85/23/86/708852386.db2.gz JPRUFHXQPDYWMH-HOCLYGCPSA-N 2 2 349.504 1.303 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC001033830541 708852389 /nfs/dbraw/zinc/85/23/89/708852389.db2.gz JPRUFHXQPDYWMH-HOCLYGCPSA-N 2 2 349.504 1.303 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033827503 708877371 /nfs/dbraw/zinc/87/73/71/708877371.db2.gz FMFHISPSFNANAB-WBVHZDCISA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033827503 708877373 /nfs/dbraw/zinc/87/73/73/708877373.db2.gz FMFHISPSFNANAB-WBVHZDCISA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033827503 708877376 /nfs/dbraw/zinc/87/73/76/708877376.db2.gz FMFHISPSFNANAB-WBVHZDCISA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033827503 708877379 /nfs/dbraw/zinc/87/73/79/708877379.db2.gz FMFHISPSFNANAB-WBVHZDCISA-N 2 2 348.495 1.111 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001061710138 709078338 /nfs/dbraw/zinc/07/83/38/709078338.db2.gz WDBBKNGDQTWZTR-IAGOWNOFSA-N 2 2 345.491 1.850 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001061710138 709078339 /nfs/dbraw/zinc/07/83/39/709078339.db2.gz WDBBKNGDQTWZTR-IAGOWNOFSA-N 2 2 345.491 1.850 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001033938421 709143117 /nfs/dbraw/zinc/14/31/17/709143117.db2.gz WSYIIGYSQZIDIY-YQQAZPJKSA-N 2 2 334.464 1.828 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001033938421 709143118 /nfs/dbraw/zinc/14/31/18/709143118.db2.gz WSYIIGYSQZIDIY-YQQAZPJKSA-N 2 2 334.464 1.828 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001033938421 709143119 /nfs/dbraw/zinc/14/31/19/709143119.db2.gz WSYIIGYSQZIDIY-YQQAZPJKSA-N 2 2 334.464 1.828 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001033938421 709143120 /nfs/dbraw/zinc/14/31/20/709143120.db2.gz WSYIIGYSQZIDIY-YQQAZPJKSA-N 2 2 334.464 1.828 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001033942121 709149546 /nfs/dbraw/zinc/14/95/46/709149546.db2.gz XHFUVSUXBYSJTC-XJKSGUPXSA-N 2 2 349.479 1.704 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001033942121 709149547 /nfs/dbraw/zinc/14/95/47/709149547.db2.gz XHFUVSUXBYSJTC-XJKSGUPXSA-N 2 2 349.479 1.704 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034015798 709232021 /nfs/dbraw/zinc/23/20/21/709232021.db2.gz PFWCGLWBNZJIKG-GDBMZVCRSA-N 2 2 343.431 1.185 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034015798 709232025 /nfs/dbraw/zinc/23/20/25/709232025.db2.gz PFWCGLWBNZJIKG-GDBMZVCRSA-N 2 2 343.431 1.185 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001034132694 709403205 /nfs/dbraw/zinc/40/32/05/709403205.db2.gz UIGAKTXJVYJUMU-WBVHZDCISA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)o1 ZINC001034132694 709403206 /nfs/dbraw/zinc/40/32/06/709403206.db2.gz UIGAKTXJVYJUMU-WBVHZDCISA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001034132694 709403209 /nfs/dbraw/zinc/40/32/09/709403209.db2.gz UIGAKTXJVYJUMU-WBVHZDCISA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001034132694 709403210 /nfs/dbraw/zinc/40/32/10/709403210.db2.gz UIGAKTXJVYJUMU-WBVHZDCISA-N 2 2 334.464 1.856 20 0 EDADLP Cc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148219 709418958 /nfs/dbraw/zinc/41/89/58/709418958.db2.gz GSZYEYVHDZLOTB-QZTJIDSGSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148219 709418960 /nfs/dbraw/zinc/41/89/60/709418960.db2.gz GSZYEYVHDZLOTB-QZTJIDSGSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148219 709418962 /nfs/dbraw/zinc/41/89/62/709418962.db2.gz GSZYEYVHDZLOTB-QZTJIDSGSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148219 709418963 /nfs/dbraw/zinc/41/89/63/709418963.db2.gz GSZYEYVHDZLOTB-QZTJIDSGSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)[nH]1 ZINC001002832129 709443179 /nfs/dbraw/zinc/44/31/79/709443179.db2.gz KCSAFEULKKEHTI-LRDDRELGSA-N 2 2 346.479 1.097 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001002828950 709446167 /nfs/dbraw/zinc/44/61/67/709446167.db2.gz MYAZZXRJISHWEH-MLGOLLRUSA-N 2 2 347.463 1.361 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002860674 709464214 /nfs/dbraw/zinc/46/42/14/709464214.db2.gz POODUNJJIQFWQB-IIAWOOMASA-N 2 2 331.464 1.458 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002860674 709464215 /nfs/dbraw/zinc/46/42/15/709464215.db2.gz POODUNJJIQFWQB-IIAWOOMASA-N 2 2 331.464 1.458 20 0 EDADLP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269175 709673254 /nfs/dbraw/zinc/67/32/54/709673254.db2.gz AOJOPEHPACTPCB-XJKSGUPXSA-N 2 2 343.431 1.411 20 0 EDADLP CC[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269175 709673258 /nfs/dbraw/zinc/67/32/58/709673258.db2.gz AOJOPEHPACTPCB-XJKSGUPXSA-N 2 2 343.431 1.411 20 0 EDADLP CNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290066 709714615 /nfs/dbraw/zinc/71/46/15/709714615.db2.gz DMSUQKYLTAZFDJ-DZGCQCFKSA-N 2 2 343.431 1.053 20 0 EDADLP CNC(=O)[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290066 709714619 /nfs/dbraw/zinc/71/46/19/709714619.db2.gz DMSUQKYLTAZFDJ-DZGCQCFKSA-N 2 2 343.431 1.053 20 0 EDADLP CCc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001034313182 709759296 /nfs/dbraw/zinc/75/92/96/709759296.db2.gz YVXKGOFLVJYQON-OAHLLOKOSA-N 2 2 345.447 1.913 20 0 EDADLP CCc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001034313182 709759297 /nfs/dbraw/zinc/75/92/97/709759297.db2.gz YVXKGOFLVJYQON-OAHLLOKOSA-N 2 2 345.447 1.913 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001045397491 709830085 /nfs/dbraw/zinc/83/00/85/709830085.db2.gz DLNDUWYCTAKRGI-LBPRGKRZSA-N 2 2 337.386 1.240 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001045397491 709830087 /nfs/dbraw/zinc/83/00/87/709830087.db2.gz DLNDUWYCTAKRGI-LBPRGKRZSA-N 2 2 337.386 1.240 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)nn1C ZINC001034396749 709936702 /nfs/dbraw/zinc/93/67/02/709936702.db2.gz HQDHRJTYSCLVGW-NVXWUHKLSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1C ZINC001034396749 709936704 /nfs/dbraw/zinc/93/67/04/709936704.db2.gz HQDHRJTYSCLVGW-NVXWUHKLSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)nn1C ZINC001034396749 709936707 /nfs/dbraw/zinc/93/67/07/709936707.db2.gz HQDHRJTYSCLVGW-NVXWUHKLSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)nn1C ZINC001034396749 709936708 /nfs/dbraw/zinc/93/67/08/709936708.db2.gz HQDHRJTYSCLVGW-NVXWUHKLSA-N 2 2 347.507 1.684 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001034398680 709941050 /nfs/dbraw/zinc/94/10/50/709941050.db2.gz PHXJOMDJJPOVDC-SJORKVTESA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001034398680 709941054 /nfs/dbraw/zinc/94/10/54/709941054.db2.gz PHXJOMDJJPOVDC-SJORKVTESA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001034398680 709941059 /nfs/dbraw/zinc/94/10/59/709941059.db2.gz PHXJOMDJJPOVDC-SJORKVTESA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001034398680 709941063 /nfs/dbraw/zinc/94/10/63/709941063.db2.gz PHXJOMDJJPOVDC-SJORKVTESA-N 2 2 347.507 1.858 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1)OC ZINC001003129135 710027816 /nfs/dbraw/zinc/02/78/16/710027816.db2.gz ZXBLGSNXEOUYNA-INIZCTEOSA-N 2 2 336.480 1.932 20 0 EDADLP Cc1oncc1C[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001003180673 710096826 /nfs/dbraw/zinc/09/68/26/710096826.db2.gz TUOFXRKVLTUJQD-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)o1 ZINC001003193579 710128232 /nfs/dbraw/zinc/12/82/32/710128232.db2.gz NPGDIODYLPHAKA-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC001003245288 710168885 /nfs/dbraw/zinc/16/88/85/710168885.db2.gz XMMFQDJQLULFMQ-UHFFFAOYSA-N 2 2 331.464 1.129 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034524465 710173096 /nfs/dbraw/zinc/17/30/96/710173096.db2.gz GCOVLYQTLLHGIN-JKSUJKDBSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034524465 710173098 /nfs/dbraw/zinc/17/30/98/710173098.db2.gz GCOVLYQTLLHGIN-JKSUJKDBSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034524465 710173101 /nfs/dbraw/zinc/17/31/01/710173101.db2.gz GCOVLYQTLLHGIN-JKSUJKDBSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034524465 710173104 /nfs/dbraw/zinc/17/31/04/710173104.db2.gz GCOVLYQTLLHGIN-JKSUJKDBSA-N 2 2 333.480 1.325 20 0 EDADLP O=C(NC1CC[NH+](CC2CCC2)CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001003377803 710296667 /nfs/dbraw/zinc/29/66/67/710296667.db2.gz GRONFPZDUQSLGO-IBGZPJMESA-N 2 2 349.519 1.868 20 0 EDADLP O=C(NC1CC[NH+](CC2CCC2)CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001003377803 710296670 /nfs/dbraw/zinc/29/66/70/710296670.db2.gz GRONFPZDUQSLGO-IBGZPJMESA-N 2 2 349.519 1.868 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC001003492914 710375536 /nfs/dbraw/zinc/37/55/36/710375536.db2.gz QIYGTUKATHFPGH-HOTGVXAUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC001003492914 710375537 /nfs/dbraw/zinc/37/55/37/710375537.db2.gz QIYGTUKATHFPGH-HOTGVXAUSA-N 2 2 345.491 1.596 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001003607801 710439784 /nfs/dbraw/zinc/43/97/84/710439784.db2.gz YQDPHFPKWRENPR-HIFRSBDPSA-N 2 2 332.448 1.447 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001003625148 710454156 /nfs/dbraw/zinc/45/41/56/710454156.db2.gz BSBMZUZVPRLGJA-AWEZNQCLSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001003625148 710454157 /nfs/dbraw/zinc/45/41/57/710454157.db2.gz BSBMZUZVPRLGJA-AWEZNQCLSA-N 2 2 334.464 1.659 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003625664 710454871 /nfs/dbraw/zinc/45/48/71/710454871.db2.gz ISZOEFYGTWVPBH-UKRRQHHQSA-N 2 2 334.464 1.966 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003625664 710454872 /nfs/dbraw/zinc/45/48/72/710454872.db2.gz ISZOEFYGTWVPBH-UKRRQHHQSA-N 2 2 334.464 1.966 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)nc1 ZINC001003628991 710458862 /nfs/dbraw/zinc/45/88/62/710458862.db2.gz WFHICDNRXGINEH-OAHLLOKOSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)nc1 ZINC001003628991 710458864 /nfs/dbraw/zinc/45/88/64/710458864.db2.gz WFHICDNRXGINEH-OAHLLOKOSA-N 2 2 331.464 1.350 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000922257016 710535661 /nfs/dbraw/zinc/53/56/61/710535661.db2.gz QKXMAQHIFHZSKK-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000922257016 710535662 /nfs/dbraw/zinc/53/56/62/710535662.db2.gz QKXMAQHIFHZSKK-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)o1 ZINC001003842038 710676364 /nfs/dbraw/zinc/67/63/64/710676364.db2.gz SQMKMZIZZRBYIH-CQSZACIVSA-N 2 2 349.479 1.752 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC001003847353 710696767 /nfs/dbraw/zinc/69/67/67/710696767.db2.gz WJTQJTLEUVCEGM-INIZCTEOSA-N 2 2 346.406 1.406 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005662969 710891585 /nfs/dbraw/zinc/89/15/85/710891585.db2.gz PHZGEICYEAIOAT-UHFFFAOYSA-N 2 2 345.491 1.471 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(N(C)C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC001005712158 711094794 /nfs/dbraw/zinc/09/47/94/711094794.db2.gz AEKUSZCAFFRNDP-CYBMUJFWSA-N 2 2 346.435 1.567 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001005713286 711098896 /nfs/dbraw/zinc/09/88/96/711098896.db2.gz PJVOSHYFTUGUQP-CQSZACIVSA-N 2 2 330.432 1.906 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)CC1 ZINC001034800992 711140368 /nfs/dbraw/zinc/14/03/68/711140368.db2.gz BZDRSHHWNUFYPT-QAQDUYKDSA-N 2 2 334.464 1.717 20 0 EDADLP Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001034801574 711141659 /nfs/dbraw/zinc/14/16/59/711141659.db2.gz MBRKTOFDMMMDBF-KKUMJFAQSA-N 2 2 331.420 1.958 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001034919699 711376508 /nfs/dbraw/zinc/37/65/08/711376508.db2.gz AZKZVTVWLXTJTM-QGZVFWFLSA-N 2 2 342.443 1.615 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)ncn1 ZINC001034920058 711377069 /nfs/dbraw/zinc/37/70/69/711377069.db2.gz JTWZXYBKZFUCHV-OAHLLOKOSA-N 2 2 328.420 1.222 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]Cc1cncc(F)c1 ZINC001034924811 711388716 /nfs/dbraw/zinc/38/87/16/711388716.db2.gz WMTDKQZDJGQDMI-OAHLLOKOSA-N 2 2 331.395 1.657 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(F)F)no1)[NH+](C)C ZINC001034971546 711451623 /nfs/dbraw/zinc/45/16/23/711451623.db2.gz PIEUVZRSIQTCSR-GHMZBOCLSA-N 2 2 345.394 1.428 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC001004146617 711557242 /nfs/dbraw/zinc/55/72/42/711557242.db2.gz YVPGZOPCMYMRPN-AAEUAGOBSA-N 2 2 337.493 1.440 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001004146617 711557244 /nfs/dbraw/zinc/55/72/44/711557244.db2.gz YVPGZOPCMYMRPN-AAEUAGOBSA-N 2 2 337.493 1.440 20 0 EDADLP CCc1nc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)cs1 ZINC001004148942 711562348 /nfs/dbraw/zinc/56/23/48/711562348.db2.gz YHBDWFISTYNXAW-UHFFFAOYSA-N 2 2 336.505 1.882 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001033125644 711876470 /nfs/dbraw/zinc/87/64/70/711876470.db2.gz GKPMAHQIMMCBEK-NVXWUHKLSA-N 2 2 348.495 1.205 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001033125644 711876471 /nfs/dbraw/zinc/87/64/71/711876471.db2.gz GKPMAHQIMMCBEK-NVXWUHKLSA-N 2 2 348.495 1.205 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033125644 711876473 /nfs/dbraw/zinc/87/64/73/711876473.db2.gz GKPMAHQIMMCBEK-NVXWUHKLSA-N 2 2 348.495 1.205 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033125644 711876474 /nfs/dbraw/zinc/87/64/74/711876474.db2.gz GKPMAHQIMMCBEK-NVXWUHKLSA-N 2 2 348.495 1.205 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)on1 ZINC001033154325 712165084 /nfs/dbraw/zinc/16/50/84/712165084.db2.gz ZSHHHAQVCNGVRU-HOCLYGCPSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)on1 ZINC001033154325 712165087 /nfs/dbraw/zinc/16/50/87/712165087.db2.gz ZSHHHAQVCNGVRU-HOCLYGCPSA-N 2 2 343.431 1.790 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675340 712359220 /nfs/dbraw/zinc/35/92/20/712359220.db2.gz KUQUXGCLBXCPOR-IYBDPMFKSA-N 2 2 342.443 1.765 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675340 712359223 /nfs/dbraw/zinc/35/92/23/712359223.db2.gz KUQUXGCLBXCPOR-IYBDPMFKSA-N 2 2 342.443 1.765 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)cc[nH+]1 ZINC000423785290 282186518 /nfs/dbraw/zinc/18/65/18/282186518.db2.gz RKNUXQRAGNWFDH-XHSDSOJGSA-N 2 2 329.448 1.354 20 0 EDADLP COc1ccc([C@@H](C[NH2+]CCC(=O)NC(N)=O)[NH+]2CCCC2)cc1 ZINC000558652696 306242488 /nfs/dbraw/zinc/24/24/88/306242488.db2.gz JVPIYXVJCHFJKI-OAHLLOKOSA-N 2 2 334.420 1.007 20 0 EDADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc2c[nH+]cn2c1 ZINC000559547722 306256505 /nfs/dbraw/zinc/25/65/05/306256505.db2.gz IRYXAEXZGWFVAI-IRXDYDNUSA-N 2 2 328.416 1.708 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1COc2ccccc21 ZINC000348769131 539382917 /nfs/dbraw/zinc/38/29/17/539382917.db2.gz CVDOUKIEYJLUCU-XSDHEKCYSA-N 2 2 334.460 1.611 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000168593732 529993548 /nfs/dbraw/zinc/99/35/48/529993548.db2.gz CMJKVKQIYNBUIR-QWHCGFSZSA-N 2 2 325.403 1.901 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000168593732 529993550 /nfs/dbraw/zinc/99/35/50/529993550.db2.gz CMJKVKQIYNBUIR-QWHCGFSZSA-N 2 2 325.403 1.901 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000560972069 306281344 /nfs/dbraw/zinc/28/13/44/306281344.db2.gz CRJSACSMVGROMX-CALCHBBNSA-N 2 2 344.459 1.877 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150537 219263452 /nfs/dbraw/zinc/26/34/52/219263452.db2.gz YBKCDCIUTQNXJU-QZTJIDSGSA-N 2 2 337.508 1.822 20 0 EDADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000333886496 539657577 /nfs/dbraw/zinc/65/75/77/539657577.db2.gz VZNQOVSXLGMUNR-MCMJNGCASA-N 2 2 335.492 1.510 20 0 EDADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000333886496 539657582 /nfs/dbraw/zinc/65/75/82/539657582.db2.gz VZNQOVSXLGMUNR-MCMJNGCASA-N 2 2 335.492 1.510 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000561302339 306286528 /nfs/dbraw/zinc/28/65/28/306286528.db2.gz XRXUKPMBAGNGPN-IIDMSEBBSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000561302339 306286529 /nfs/dbraw/zinc/28/65/29/306286529.db2.gz XRXUKPMBAGNGPN-IIDMSEBBSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000561302340 306286658 /nfs/dbraw/zinc/28/66/58/306286658.db2.gz XRXUKPMBAGNGPN-RKVPGOIHSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000561302340 306286659 /nfs/dbraw/zinc/28/66/59/306286659.db2.gz XRXUKPMBAGNGPN-RKVPGOIHSA-N 2 2 328.460 1.921 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000562542730 306301724 /nfs/dbraw/zinc/30/17/24/306301724.db2.gz UPUSLYNMBXSOPF-MRXNPFEDSA-N 2 2 329.404 1.108 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000562542730 306301725 /nfs/dbraw/zinc/30/17/25/306301725.db2.gz UPUSLYNMBXSOPF-MRXNPFEDSA-N 2 2 329.404 1.108 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000353409137 539933729 /nfs/dbraw/zinc/93/37/29/539933729.db2.gz HCXMUIRBKRQBDP-HNNXBMFYSA-N 2 2 334.464 1.374 20 0 EDADLP C[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000159163825 540005796 /nfs/dbraw/zinc/00/57/96/540005796.db2.gz LPKIKHYTVLDEMO-CZUORRHYSA-N 2 2 343.431 1.928 20 0 EDADLP C[C@@H](NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000159163825 540005799 /nfs/dbraw/zinc/00/57/99/540005799.db2.gz LPKIKHYTVLDEMO-CZUORRHYSA-N 2 2 343.431 1.928 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CC[NH2+]1 ZINC000262389363 291044866 /nfs/dbraw/zinc/04/48/66/291044866.db2.gz MOKIYFYXERJYCD-SOUVJXGZSA-N 2 2 337.489 1.626 20 0 EDADLP CC[NH+]1CCN(c2cccc(NC(=O)NCc3c[nH+]cn3C)c2)CC1 ZINC000290284886 540088478 /nfs/dbraw/zinc/08/84/78/540088478.db2.gz IIGLXNVJJIDRCS-UHFFFAOYSA-N 2 2 342.447 1.884 20 0 EDADLP Cc1cccnc1/C=C/C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000183630297 235172811 /nfs/dbraw/zinc/17/28/11/235172811.db2.gz LXVFUOPBVNYQFB-BQYQJAHWSA-N 2 2 330.476 1.888 20 0 EDADLP Cc1cccnc1/C=C/C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183630297 235172814 /nfs/dbraw/zinc/17/28/14/235172814.db2.gz LXVFUOPBVNYQFB-BQYQJAHWSA-N 2 2 330.476 1.888 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC000189422644 540165284 /nfs/dbraw/zinc/16/52/84/540165284.db2.gz KSNZZBMAPYDOGG-MRXNPFEDSA-N 2 2 341.459 1.669 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC000189422644 540165287 /nfs/dbraw/zinc/16/52/87/540165287.db2.gz KSNZZBMAPYDOGG-MRXNPFEDSA-N 2 2 341.459 1.669 20 0 EDADLP COC(=O)C[C@@H](C)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368052834 291106910 /nfs/dbraw/zinc/10/69/10/291106910.db2.gz ZHBNYNFROXOMHN-GJZGRUSLSA-N 2 2 339.480 1.203 20 0 EDADLP COC(=O)C[C@@H](C)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368052834 291106913 /nfs/dbraw/zinc/10/69/13/291106913.db2.gz ZHBNYNFROXOMHN-GJZGRUSLSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)CCO1 ZINC000079490320 138261816 /nfs/dbraw/zinc/26/18/16/138261816.db2.gz KFPGZXVAUCLWAU-XLIONFOSSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)CCO1 ZINC000079490320 138261817 /nfs/dbraw/zinc/26/18/17/138261817.db2.gz KFPGZXVAUCLWAU-XLIONFOSSA-N 2 2 348.487 1.749 20 0 EDADLP CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000563584863 306339947 /nfs/dbraw/zinc/33/99/47/306339947.db2.gz QDBGOOUVWBKIQJ-XHSDSOJGSA-N 2 2 326.485 1.255 20 0 EDADLP CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000563584863 306339948 /nfs/dbraw/zinc/33/99/48/306339948.db2.gz QDBGOOUVWBKIQJ-XHSDSOJGSA-N 2 2 326.485 1.255 20 0 EDADLP CCc1nn(C)cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000092544767 138289588 /nfs/dbraw/zinc/28/95/88/138289588.db2.gz IYXPGFWABMMFMX-XYPWUTKMSA-N 2 2 345.491 1.366 20 0 EDADLP CCc1nn(C)cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000092544767 138289589 /nfs/dbraw/zinc/28/95/89/138289589.db2.gz IYXPGFWABMMFMX-XYPWUTKMSA-N 2 2 345.491 1.366 20 0 EDADLP CC1CCC([NH+]2CCC([N@H+](C)CCNS(C)(=O)=O)CC2)CC1 ZINC000107300482 138304227 /nfs/dbraw/zinc/30/42/27/138304227.db2.gz KHVVKPUANGSQSM-UHFFFAOYSA-N 2 2 331.526 1.511 20 0 EDADLP CC1CCC([NH+]2CCC([N@@H+](C)CCNS(C)(=O)=O)CC2)CC1 ZINC000107300482 138304228 /nfs/dbraw/zinc/30/42/28/138304228.db2.gz KHVVKPUANGSQSM-UHFFFAOYSA-N 2 2 331.526 1.511 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)CC1 ZINC000112358790 138309158 /nfs/dbraw/zinc/30/91/58/138309158.db2.gz GWDJHWXFYBFNHR-UHFFFAOYSA-N 2 2 344.503 1.778 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3cccc(C(N)=O)c3)CC2)CC1 ZINC000112358790 138309159 /nfs/dbraw/zinc/30/91/59/138309159.db2.gz GWDJHWXFYBFNHR-UHFFFAOYSA-N 2 2 344.503 1.778 20 0 EDADLP C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000125269306 138332871 /nfs/dbraw/zinc/33/28/71/138332871.db2.gz RIBNUUJMEXLIJC-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[NH+](C)C)c1 ZINC000130460201 138341558 /nfs/dbraw/zinc/34/15/58/138341558.db2.gz JLTQQYRGKSJGMI-QAPCUYQASA-N 2 2 342.443 1.873 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000132006314 138369493 /nfs/dbraw/zinc/36/94/93/138369493.db2.gz HNRPGGDPTRPPAI-HZPDHXFCSA-N 2 2 334.464 1.766 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000132006314 138369495 /nfs/dbraw/zinc/36/94/95/138369495.db2.gz HNRPGGDPTRPPAI-HZPDHXFCSA-N 2 2 334.464 1.766 20 0 EDADLP Cc1ccc(CN(C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)C2CC2)cc1 ZINC000563669559 306344407 /nfs/dbraw/zinc/34/44/07/306344407.db2.gz GFKBXGGCPCVYDY-GOSISDBHSA-N 2 2 331.460 1.536 20 0 EDADLP Cc1ccc(CN(C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)C2CC2)cc1 ZINC000563669559 306344408 /nfs/dbraw/zinc/34/44/08/306344408.db2.gz GFKBXGGCPCVYDY-GOSISDBHSA-N 2 2 331.460 1.536 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000563798318 306347460 /nfs/dbraw/zinc/34/74/60/306347460.db2.gz WASHVYAOFTYMPK-ZDUSSCGKSA-N 2 2 344.381 1.532 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000564060220 306354480 /nfs/dbraw/zinc/35/44/80/306354480.db2.gz RJUUMHDGPLVBHR-CQSZACIVSA-N 2 2 333.436 1.490 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc3ccccc3n2)C[C@@H](C)O1 ZINC000564202206 306356527 /nfs/dbraw/zinc/35/65/27/306356527.db2.gz CZGJRKQPNTVERJ-IIDMSEBBSA-N 2 2 329.444 1.795 20 0 EDADLP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C(F)F ZINC000564328416 306358585 /nfs/dbraw/zinc/35/85/85/306358585.db2.gz ONFRMUVNPZLQKO-UONOGXRCSA-N 2 2 329.366 1.889 20 0 EDADLP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C(F)F ZINC000564328416 306358584 /nfs/dbraw/zinc/35/85/84/306358584.db2.gz ONFRMUVNPZLQKO-UONOGXRCSA-N 2 2 329.366 1.889 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc4c[nH+]cn4c3)[nH+]cn2)C1 ZINC000564544335 306360270 /nfs/dbraw/zinc/36/02/70/306360270.db2.gz INRPUADYSMJTOE-UKRRQHHQSA-N 2 2 338.415 1.944 20 0 EDADLP Cc1ccc([C@H](CNC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000564846956 306367226 /nfs/dbraw/zinc/36/72/26/306367226.db2.gz GEJYZNHQSJJMOA-HNJRGHQBSA-N 2 2 349.519 1.657 20 0 EDADLP Cc1ccc([C@H](CNC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000564846956 306367227 /nfs/dbraw/zinc/36/72/27/306367227.db2.gz GEJYZNHQSJJMOA-HNJRGHQBSA-N 2 2 349.519 1.657 20 0 EDADLP Cc1ccc([C@H](CNC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)[NH+](C)C)cc1 ZINC000564846961 306367125 /nfs/dbraw/zinc/36/71/25/306367125.db2.gz GEJYZNHQSJJMOA-ZULIPRJHSA-N 2 2 349.519 1.657 20 0 EDADLP CC[C@H](C(=O)N1[C@H](C)C[NH+](CC)C[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000565209963 306378593 /nfs/dbraw/zinc/37/85/93/306378593.db2.gz UISYVSMNRSLFFG-QBPKDAKJSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@H](C(=O)N1[C@H](C)C[NH+](CC)C[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000565209963 306378594 /nfs/dbraw/zinc/37/85/94/306378594.db2.gz UISYVSMNRSLFFG-QBPKDAKJSA-N 2 2 325.497 1.817 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N(C)CC[NH+]1CCOCC1)C(C)C ZINC000072517779 216267636 /nfs/dbraw/zinc/26/76/36/216267636.db2.gz USFMAVFQYANYFU-UHFFFAOYSA-N 2 2 328.501 1.469 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000131460789 223234767 /nfs/dbraw/zinc/23/47/67/223234767.db2.gz OZWOKGQIOJMDKV-ZJUUUORDSA-N 2 2 327.226 1.452 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000131460789 223234768 /nfs/dbraw/zinc/23/47/68/223234768.db2.gz OZWOKGQIOJMDKV-ZJUUUORDSA-N 2 2 327.226 1.452 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000072871122 216322240 /nfs/dbraw/zinc/32/22/40/216322240.db2.gz MDEBUKUYFCNDJJ-UHFFFAOYSA-N 2 2 347.488 1.959 20 0 EDADLP C[NH+](C)C1(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCC1 ZINC000565931021 306394814 /nfs/dbraw/zinc/39/48/14/306394814.db2.gz YRONPMKKZSHVMA-UHFFFAOYSA-N 2 2 348.472 1.694 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496290339 296129827 /nfs/dbraw/zinc/12/98/27/296129827.db2.gz GTCNJLSLZQUTCL-BZUAXINKSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496290339 296129828 /nfs/dbraw/zinc/12/98/28/296129828.db2.gz GTCNJLSLZQUTCL-BZUAXINKSA-N 2 2 340.512 1.610 20 0 EDADLP CCOc1cc(C[NH2+]C[C@@H](C)[NH2+]C)ccc1O[C@H](C)C(=O)N(C)C ZINC000414998217 304149625 /nfs/dbraw/zinc/14/96/25/304149625.db2.gz ZCEAPSMCDQPKAM-ZIAGYGMSSA-N 2 2 337.464 1.638 20 0 EDADLP Cc1cc(Br)cn2c(CN(C)C[C@@H](O)C[NH3+])c[nH+]c12 ZINC000415067737 304156693 /nfs/dbraw/zinc/15/66/93/304156693.db2.gz LIEKJTNDUXXMGC-LBPRGKRZSA-N 2 2 327.226 1.157 20 0 EDADLP Cc1cc(Br)cn2c(C[N@H+](C)C[C@@H](O)C[NH3+])cnc12 ZINC000415067737 304156695 /nfs/dbraw/zinc/15/66/95/304156695.db2.gz LIEKJTNDUXXMGC-LBPRGKRZSA-N 2 2 327.226 1.157 20 0 EDADLP Cc1cc(Br)cn2c(C[N@@H+](C)C[C@@H](O)C[NH3+])cnc12 ZINC000415067737 304156697 /nfs/dbraw/zinc/15/66/97/304156697.db2.gz LIEKJTNDUXXMGC-LBPRGKRZSA-N 2 2 327.226 1.157 20 0 EDADLP O=C(NCCN1CC[NH2+]CC1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000567220641 306442502 /nfs/dbraw/zinc/44/25/02/306442502.db2.gz JVRULFINLWNZNP-UHFFFAOYSA-N 2 2 341.415 1.901 20 0 EDADLP C[C@@H](Cn1cccn1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415123147 304162246 /nfs/dbraw/zinc/16/22/46/304162246.db2.gz ACBZSAMNLKERJS-KRWDZBQOSA-N 3 2 327.476 1.855 20 0 EDADLP Cc1cc2ncn(C[C@@H](O)C[NH2+][C@H](C)Cn3cc[nH+]c3)c2cc1C ZINC000567227501 306442864 /nfs/dbraw/zinc/44/28/64/306442864.db2.gz IYCBQDWJCHYDIJ-CVEARBPZSA-N 2 2 327.432 1.889 20 0 EDADLP Cc1c(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000415138403 304163511 /nfs/dbraw/zinc/16/35/11/304163511.db2.gz VCQMRGMEZBUPNE-UHFFFAOYSA-N 3 2 327.476 1.812 20 0 EDADLP C[C@H](c1cccc(NC(=O)N2CC[NH2+]C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000415148266 304165193 /nfs/dbraw/zinc/16/51/93/304165193.db2.gz JZACSTILHYXTGV-LSDHHAIUSA-N 2 2 332.448 1.905 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000236651585 139027622 /nfs/dbraw/zinc/02/76/22/139027622.db2.gz KPUWVFWHCLZWFW-KBPBESRZSA-N 2 2 325.478 1.469 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236679654 139028551 /nfs/dbraw/zinc/02/85/51/139028551.db2.gz QMXTXMAGKNEPEL-PKOBYXMFSA-N 2 2 333.476 1.724 20 0 EDADLP CCC[NH2+]CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000236848991 139033305 /nfs/dbraw/zinc/03/33/05/139033305.db2.gz RKJKPBZZRWYTCA-UHFFFAOYSA-N 2 2 343.431 1.641 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000236892650 139034199 /nfs/dbraw/zinc/03/41/99/139034199.db2.gz NMCSUGCIDQUCDA-CFAJVAMVSA-N 2 2 334.464 1.685 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000236986223 139037192 /nfs/dbraw/zinc/03/71/92/139037192.db2.gz FVZGAGHSFFAIOJ-VQIMIIECSA-N 2 2 346.519 1.814 20 0 EDADLP C[NH2+]CCCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000237188471 139043389 /nfs/dbraw/zinc/04/33/89/139043389.db2.gz SXSHGIGTPRWWCD-UHFFFAOYSA-N 2 2 335.448 1.013 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CSC[NH2+]3)c2)CCO1 ZINC000237422546 139050694 /nfs/dbraw/zinc/05/06/94/139050694.db2.gz FDCSXEUCQDSZJH-CZUORRHYSA-N 2 2 335.473 1.186 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CSC[NH2+]3)c2)CCO1 ZINC000237422546 139050695 /nfs/dbraw/zinc/05/06/95/139050695.db2.gz FDCSXEUCQDSZJH-CZUORRHYSA-N 2 2 335.473 1.186 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000237792478 139060454 /nfs/dbraw/zinc/06/04/54/139060454.db2.gz ODBXGYLYNIYPQJ-ROUUACIJSA-N 2 2 331.460 1.627 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000237827440 139061357 /nfs/dbraw/zinc/06/13/57/139061357.db2.gz BBRFTTQHTMXBCK-NVXWUHKLSA-N 2 2 335.473 1.011 20 0 EDADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000237924138 139063979 /nfs/dbraw/zinc/06/39/79/139063979.db2.gz JRPTUCZMZIEYDP-QGZVFWFLSA-N 2 2 331.460 1.665 20 0 EDADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000237924138 139063980 /nfs/dbraw/zinc/06/39/80/139063980.db2.gz JRPTUCZMZIEYDP-QGZVFWFLSA-N 2 2 331.460 1.665 20 0 EDADLP [NH3+]Cc1nc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000238037722 139067315 /nfs/dbraw/zinc/06/73/15/139067315.db2.gz VGOIQOIIXNAXLJ-UHFFFAOYSA-N 2 2 346.456 1.364 20 0 EDADLP CC[N@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111843133 220205705 /nfs/dbraw/zinc/20/57/05/220205705.db2.gz QRWQNLJPCXUKEO-GOSISDBHSA-N 2 2 348.491 1.181 20 0 EDADLP CC[N@@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111843133 220205711 /nfs/dbraw/zinc/20/57/11/220205711.db2.gz QRWQNLJPCXUKEO-GOSISDBHSA-N 2 2 348.491 1.181 20 0 EDADLP CN(C(=O)[C@H]1CCOC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245744655 139084996 /nfs/dbraw/zinc/08/49/96/139084996.db2.gz WCKMZYZUVYNPHX-JQHSSLGASA-N 2 2 337.508 1.819 20 0 EDADLP CN(C(=O)[C@H]1CCOC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245744655 139084997 /nfs/dbraw/zinc/08/49/97/139084997.db2.gz WCKMZYZUVYNPHX-JQHSSLGASA-N 2 2 337.508 1.819 20 0 EDADLP [NH3+]C1(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCCC1 ZINC000415290378 304186864 /nfs/dbraw/zinc/18/68/64/304186864.db2.gz GQGSAEPUKGQDET-UHFFFAOYSA-N 2 2 341.415 1.589 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)[C@@H](C)C1 ZINC000246264155 139101612 /nfs/dbraw/zinc/10/16/12/139101612.db2.gz ABJGBTLLZMRREI-XHSDSOJGSA-N 3 2 332.496 1.807 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)[C@@H](C)C1 ZINC000246264155 139101613 /nfs/dbraw/zinc/10/16/13/139101613.db2.gz ABJGBTLLZMRREI-XHSDSOJGSA-N 3 2 332.496 1.807 20 0 EDADLP O[C@@H](COc1ccccc1F)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246765115 139120844 /nfs/dbraw/zinc/12/08/44/139120844.db2.gz NUXPXQQIUSDNHG-JKSUJKDBSA-N 2 2 338.423 1.220 20 0 EDADLP O[C@@H](COc1ccccc1F)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246765115 139120845 /nfs/dbraw/zinc/12/08/45/139120845.db2.gz NUXPXQQIUSDNHG-JKSUJKDBSA-N 2 2 338.423 1.220 20 0 EDADLP Cc1ccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1O ZINC000089438646 217798692 /nfs/dbraw/zinc/79/86/92/217798692.db2.gz GJNUCCJFVYUTDY-UHFFFAOYSA-N 2 2 345.487 1.918 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000568175965 306474785 /nfs/dbraw/zinc/47/47/85/306474785.db2.gz MWUAMBABMCMEFU-HNNXBMFYSA-N 2 2 340.439 1.390 20 0 EDADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccn1 ZINC000093338840 218216046 /nfs/dbraw/zinc/21/60/46/218216046.db2.gz YVJYHYQKRZSWIV-UHFFFAOYSA-N 2 2 326.448 1.646 20 0 EDADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccn1 ZINC000093338840 218216048 /nfs/dbraw/zinc/21/60/48/218216048.db2.gz YVJYHYQKRZSWIV-UHFFFAOYSA-N 2 2 326.448 1.646 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1nc2ccccc2s1 ZINC000261619206 139211721 /nfs/dbraw/zinc/21/17/21/139211721.db2.gz FVPHNVNZNDOHCW-ZDUSSCGKSA-N 2 2 345.472 1.214 20 0 EDADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1nc2ccccc2s1 ZINC000261619206 139211722 /nfs/dbraw/zinc/21/17/22/139211722.db2.gz FVPHNVNZNDOHCW-ZDUSSCGKSA-N 2 2 345.472 1.214 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1nc2ccccc2s1 ZINC000261619202 139211607 /nfs/dbraw/zinc/21/16/07/139211607.db2.gz FVPHNVNZNDOHCW-CYBMUJFWSA-N 2 2 345.472 1.214 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1nc2ccccc2s1 ZINC000261619202 139211608 /nfs/dbraw/zinc/21/16/08/139211608.db2.gz FVPHNVNZNDOHCW-CYBMUJFWSA-N 2 2 345.472 1.214 20 0 EDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261632986 139212835 /nfs/dbraw/zinc/21/28/35/139212835.db2.gz HTZUATKXMURDCY-NEPJUHHUSA-N 2 2 327.881 1.901 20 0 EDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261632986 139212836 /nfs/dbraw/zinc/21/28/36/139212836.db2.gz HTZUATKXMURDCY-NEPJUHHUSA-N 2 2 327.881 1.901 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261685355 139217366 /nfs/dbraw/zinc/21/73/66/139217366.db2.gz HGPWFSURGVEVDY-PBHICJAKSA-N 2 2 332.448 1.041 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(Br)cn3)C[C@H]12 ZINC000261756364 139223531 /nfs/dbraw/zinc/22/35/31/139223531.db2.gz NHEXZQHTCNAFLU-ZMLRMANQSA-N 2 2 339.237 1.452 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cn3)C[C@H]12 ZINC000261756364 139223532 /nfs/dbraw/zinc/22/35/32/139223532.db2.gz NHEXZQHTCNAFLU-ZMLRMANQSA-N 2 2 339.237 1.452 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000261975020 139241087 /nfs/dbraw/zinc/24/10/87/139241087.db2.gz QQBQHBXMHURGMG-OAHLLOKOSA-N 2 2 332.448 1.905 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000261975020 139241088 /nfs/dbraw/zinc/24/10/88/139241088.db2.gz QQBQHBXMHURGMG-OAHLLOKOSA-N 2 2 332.448 1.905 20 0 EDADLP O=C(NCC[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1)c1ccccc1F ZINC000262012404 139243873 /nfs/dbraw/zinc/24/38/73/139243873.db2.gz VFIQULFMRANXOB-INIZCTEOSA-N 2 2 348.466 1.173 20 0 EDADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370792668 183852281 /nfs/dbraw/zinc/85/22/81/183852281.db2.gz BKCJWVGMUIHMBC-LJQANCHMSA-N 2 2 343.471 1.630 20 0 EDADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370792668 183852284 /nfs/dbraw/zinc/85/22/84/183852284.db2.gz BKCJWVGMUIHMBC-LJQANCHMSA-N 2 2 343.471 1.630 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000415847086 251032601 /nfs/dbraw/zinc/03/26/01/251032601.db2.gz BICQAPJBJSRMJV-HNNXBMFYSA-N 2 2 346.431 1.265 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)c1 ZINC000415949825 251037937 /nfs/dbraw/zinc/03/79/37/251037937.db2.gz AYJNVEBOSXKHNV-GOSISDBHSA-N 2 2 346.475 1.981 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)c1 ZINC000415949825 251037943 /nfs/dbraw/zinc/03/79/43/251037943.db2.gz AYJNVEBOSXKHNV-GOSISDBHSA-N 2 2 346.475 1.981 20 0 EDADLP CO[C@@H]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)[C@H](C[NH3+])C1 ZINC000416880812 251117987 /nfs/dbraw/zinc/11/79/87/251117987.db2.gz GRNBKDCMKVLACW-LSDHHAIUSA-N 2 2 345.447 1.492 20 0 EDADLP CC[NH2+]CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416993839 251120781 /nfs/dbraw/zinc/12/07/81/251120781.db2.gz SRPIFUIGDQHWCX-KBPBESRZSA-N 2 2 335.452 1.104 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000416994564 251123208 /nfs/dbraw/zinc/12/32/08/251123208.db2.gz JUJLHNWWMUHKEE-IAGOWNOFSA-N 2 2 334.464 1.405 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000416998795 251124907 /nfs/dbraw/zinc/12/49/07/251124907.db2.gz YUYNHXXVOGTZPX-MRXNPFEDSA-N 2 2 331.464 1.964 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000417543534 251185217 /nfs/dbraw/zinc/18/52/17/251185217.db2.gz LJFYWQXMAQTISI-MAUKXSAKSA-N 2 2 347.507 1.184 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262422557 139278058 /nfs/dbraw/zinc/27/80/58/139278058.db2.gz RWXYQPDWYFTRKV-SFYZZRBRSA-N 3 2 336.524 1.282 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417828666 251285969 /nfs/dbraw/zinc/28/59/69/251285969.db2.gz PAMSBNWYEKWFRQ-IHRRRGAJSA-N 2 2 340.493 1.546 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417828666 251285973 /nfs/dbraw/zinc/28/59/73/251285973.db2.gz PAMSBNWYEKWFRQ-IHRRRGAJSA-N 2 2 340.493 1.546 20 0 EDADLP [NH3+][C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1c(F)cccc1F ZINC000417778760 251266111 /nfs/dbraw/zinc/26/61/11/251266111.db2.gz GFMSLTYXMONKKA-INIZCTEOSA-N 2 2 347.369 1.408 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000417775311 251266354 /nfs/dbraw/zinc/26/63/54/251266354.db2.gz MTIBBJSXSQHEOC-ZDUSSCGKSA-N 2 2 349.483 1.304 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000417775311 251266361 /nfs/dbraw/zinc/26/63/61/251266361.db2.gz MTIBBJSXSQHEOC-ZDUSSCGKSA-N 2 2 349.483 1.304 20 0 EDADLP COc1ccc([C@@H](NC(=O)[C@@H](C)C2C[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000262545648 139285460 /nfs/dbraw/zinc/28/54/60/139285460.db2.gz NZRDTCVAXWIIHA-BLLLJJGKSA-N 2 2 328.416 1.490 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418626465 251380939 /nfs/dbraw/zinc/38/09/39/251380939.db2.gz LHXQDZINMCFMPZ-AVGNSLFASA-N 2 2 328.457 1.568 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418626465 251380942 /nfs/dbraw/zinc/38/09/42/251380942.db2.gz LHXQDZINMCFMPZ-AVGNSLFASA-N 2 2 328.457 1.568 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)cn21 ZINC000262703553 139297627 /nfs/dbraw/zinc/29/76/27/139297627.db2.gz CSKZZNDTALEFON-HNNXBMFYSA-N 2 2 338.415 1.694 20 0 EDADLP Cc1[nH]ccc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262884125 139310318 /nfs/dbraw/zinc/31/03/18/139310318.db2.gz FVBLHBKQUGSNCG-HNNXBMFYSA-N 2 2 327.432 1.841 20 0 EDADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000262894972 139311038 /nfs/dbraw/zinc/31/10/38/139311038.db2.gz CYOPRWBVFRJVMJ-ZDUSSCGKSA-N 2 2 329.416 1.432 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)CC(C)(C)C[NH3+])CC2 ZINC000422892046 252013700 /nfs/dbraw/zinc/01/37/00/252013700.db2.gz LWDHPJIJENNTMQ-UHFFFAOYSA-N 2 2 349.475 1.505 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)CC(C)(C)C[NH3+])CC2 ZINC000422892046 252013703 /nfs/dbraw/zinc/01/37/03/252013703.db2.gz LWDHPJIJENNTMQ-UHFFFAOYSA-N 2 2 349.475 1.505 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000423062878 252031945 /nfs/dbraw/zinc/03/19/45/252031945.db2.gz VAXXBTLJMPYAGZ-SPUZQDLCSA-N 2 2 333.476 1.869 20 0 EDADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)CCC[NH2+]1 ZINC000423413014 252053386 /nfs/dbraw/zinc/05/33/86/252053386.db2.gz JGBQQBJBHNTACK-KXBFYZLASA-N 2 2 333.476 1.784 20 0 EDADLP COC[C@@]1(C[NH2+][C@H](C)c2ccccc2OCC(=O)OC)CCC[NH2+]1 ZINC000423415518 252054119 /nfs/dbraw/zinc/05/41/19/252054119.db2.gz PDGYPZQUVFHPTF-KDOFPFPSSA-N 2 2 336.432 1.658 20 0 EDADLP [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)cc2C1 ZINC000423510027 252056748 /nfs/dbraw/zinc/05/67/48/252056748.db2.gz PFARZXMEWUNXFC-YJBOKZPZSA-N 2 2 344.459 1.337 20 0 EDADLP [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3COCC[N@H+]3CC3CCC3)cc2C1 ZINC000423510027 252056753 /nfs/dbraw/zinc/05/67/53/252056753.db2.gz PFARZXMEWUNXFC-YJBOKZPZSA-N 2 2 344.459 1.337 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423932181 252105405 /nfs/dbraw/zinc/10/54/05/252105405.db2.gz RUXLGXWISWHOGH-KFWWJZLASA-N 2 2 332.448 1.515 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)c1 ZINC000423806779 252085021 /nfs/dbraw/zinc/08/50/21/252085021.db2.gz ISGSWKJEQNTLAK-OAHLLOKOSA-N 2 2 335.448 1.346 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000424138728 252140332 /nfs/dbraw/zinc/14/03/32/252140332.db2.gz URRFMUAFBJUTFL-AWEZNQCLSA-N 2 2 342.447 1.278 20 0 EDADLP O[C@H](C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2)C[NH+]1CCCCC1 ZINC000424159477 252149740 /nfs/dbraw/zinc/14/97/40/252149740.db2.gz SXYVLKPVYDRAOO-CYBMUJFWSA-N 2 2 328.359 1.945 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000424217648 252165684 /nfs/dbraw/zinc/16/56/84/252165684.db2.gz NBEWMCQYKCRGID-INIZCTEOSA-N 2 2 335.448 1.264 20 0 EDADLP Cn1cc([C@]2(C)C[N@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)CCO2)cn1 ZINC000424304306 252194164 /nfs/dbraw/zinc/19/41/64/252194164.db2.gz QSNWLNIGKDQIQJ-QAPCUYQASA-N 2 2 332.423 1.849 20 0 EDADLP Cn1cc([C@]2(C)C[N@@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)CCO2)cn1 ZINC000424304306 252194168 /nfs/dbraw/zinc/19/41/68/252194168.db2.gz QSNWLNIGKDQIQJ-QAPCUYQASA-N 2 2 332.423 1.849 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]1CCO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000426203569 252323809 /nfs/dbraw/zinc/32/38/09/252323809.db2.gz KSWIJEILYUBCHP-SFHVURJKSA-N 2 2 347.459 1.304 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]1CCO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000426203569 252323811 /nfs/dbraw/zinc/32/38/11/252323811.db2.gz KSWIJEILYUBCHP-SFHVURJKSA-N 2 2 347.459 1.304 20 0 EDADLP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263108972 139322796 /nfs/dbraw/zinc/32/27/96/139322796.db2.gz ACSKNEACJFLYPR-CYBMUJFWSA-N 2 2 331.407 1.135 20 0 EDADLP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000263299928 139334268 /nfs/dbraw/zinc/33/42/68/139334268.db2.gz WXYGXDCICKMGDY-XPTSAGLGSA-N 2 2 342.230 1.244 20 0 EDADLP CN1CC[NH+](Cc2ccc(CNC(=O)CCn3cc[nH+]c3)cc2)CC1 ZINC000263707219 139354404 /nfs/dbraw/zinc/35/44/04/139354404.db2.gz UHHUTDNXVZYHFU-UHFFFAOYSA-N 2 2 341.459 1.337 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/C3CCOCC3)CC2)CC1 ZINC000493375479 255207313 /nfs/dbraw/zinc/20/73/13/255207313.db2.gz YRQYWFSRPIKTME-SNAWJCMRSA-N 2 2 349.519 1.988 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/C3CCOCC3)CC2)CC1 ZINC000493375479 255207314 /nfs/dbraw/zinc/20/73/14/255207314.db2.gz YRQYWFSRPIKTME-SNAWJCMRSA-N 2 2 349.519 1.988 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCCC[C@H]2CC)CCO1 ZINC000495230242 255274581 /nfs/dbraw/zinc/27/45/81/255274581.db2.gz DOFUIEXDCVKAMA-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCCC[C@H]2CC)CCO1 ZINC000495230242 255274582 /nfs/dbraw/zinc/27/45/82/255274582.db2.gz DOFUIEXDCVKAMA-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CCCC[C@H]2CC)CCO1 ZINC000495230242 255274583 /nfs/dbraw/zinc/27/45/83/255274583.db2.gz DOFUIEXDCVKAMA-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NCC[N@H+]2CCCC[C@H]2CC)CCO1 ZINC000495230242 255274584 /nfs/dbraw/zinc/27/45/84/255274584.db2.gz DOFUIEXDCVKAMA-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP Fc1cncc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000494591153 255255157 /nfs/dbraw/zinc/25/51/57/255255157.db2.gz IKLRNNVZIOQEQN-UHFFFAOYSA-N 3 2 329.423 1.918 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CCO1 ZINC000494865785 255263482 /nfs/dbraw/zinc/26/34/82/255263482.db2.gz PNZVJLJMVYMKJW-GDBMZVCRSA-N 2 2 337.468 1.238 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CCO1 ZINC000494865785 255263483 /nfs/dbraw/zinc/26/34/83/255263483.db2.gz PNZVJLJMVYMKJW-GDBMZVCRSA-N 2 2 337.468 1.238 20 0 EDADLP CC[N@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000496272720 255373263 /nfs/dbraw/zinc/37/32/63/255373263.db2.gz IHVLCZOTSNTVQK-RRFJBIMHSA-N 2 2 329.485 1.846 20 0 EDADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000496272720 255373264 /nfs/dbraw/zinc/37/32/64/255373264.db2.gz IHVLCZOTSNTVQK-RRFJBIMHSA-N 2 2 329.485 1.846 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842276 221194571 /nfs/dbraw/zinc/19/45/71/221194571.db2.gz XLDIFUDAFTTXNJ-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842276 221194572 /nfs/dbraw/zinc/19/45/72/221194572.db2.gz XLDIFUDAFTTXNJ-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842276 221194575 /nfs/dbraw/zinc/19/45/75/221194575.db2.gz XLDIFUDAFTTXNJ-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842276 221194578 /nfs/dbraw/zinc/19/45/78/221194578.db2.gz XLDIFUDAFTTXNJ-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP CC[NH2+]Cc1ccccc1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000415934100 304286433 /nfs/dbraw/zinc/28/64/33/304286433.db2.gz QWARASZCNOLSTJ-UHFFFAOYSA-N 2 2 332.448 1.782 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc([C@@H]3CCOC3)c2)CC1 ZINC000270663538 140143482 /nfs/dbraw/zinc/14/34/82/140143482.db2.gz OXXIQMDQUCDICJ-GOSISDBHSA-N 2 2 345.487 1.946 20 0 EDADLP COc1ccccc1COC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271667999 140330418 /nfs/dbraw/zinc/33/04/18/140330418.db2.gz HLPREGRPQHKDKE-KRWDZBQOSA-N 2 2 333.432 1.791 20 0 EDADLP COc1ccccc1COC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271667999 140330420 /nfs/dbraw/zinc/33/04/20/140330420.db2.gz HLPREGRPQHKDKE-KRWDZBQOSA-N 2 2 333.432 1.791 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(F)c(F)c1 ZINC000271693497 140334774 /nfs/dbraw/zinc/33/47/74/140334774.db2.gz KXCUHKJORPZEJT-HZPDHXFCSA-N 2 2 341.402 1.582 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(F)c(F)c1 ZINC000271693497 140334775 /nfs/dbraw/zinc/33/47/75/140334775.db2.gz KXCUHKJORPZEJT-HZPDHXFCSA-N 2 2 341.402 1.582 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416310448 304308380 /nfs/dbraw/zinc/30/83/80/304308380.db2.gz NVDMEWYTXRMCMA-CABCVRRESA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416310448 304308382 /nfs/dbraw/zinc/30/83/82/304308382.db2.gz NVDMEWYTXRMCMA-CABCVRRESA-N 2 2 344.459 1.512 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1CCC([NH3+])CC1 ZINC000332070881 141117726 /nfs/dbraw/zinc/11/77/26/141117726.db2.gz BZFCNHODOIGFAP-UHFFFAOYSA-N 2 2 333.436 1.618 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@H]1[NH+](C)C ZINC000332102280 141123505 /nfs/dbraw/zinc/12/35/05/141123505.db2.gz CTJUBVIWPVCQFR-GDBMZVCRSA-N 2 2 331.464 1.642 20 0 EDADLP CC(=O)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000332188103 141137318 /nfs/dbraw/zinc/13/73/18/141137318.db2.gz XEUDKCHGGAIKTC-UHFFFAOYSA-N 2 2 332.448 1.506 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000332419095 141178774 /nfs/dbraw/zinc/17/87/74/141178774.db2.gz VWGZGNWQLHPCKC-ZBFHGGJFSA-N 2 2 348.447 1.178 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000332419095 141178776 /nfs/dbraw/zinc/17/87/76/141178776.db2.gz VWGZGNWQLHPCKC-ZBFHGGJFSA-N 2 2 348.447 1.178 20 0 EDADLP C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000332611398 141214700 /nfs/dbraw/zinc/21/47/00/141214700.db2.gz PHFRFABCMFKFFS-NUJGCVRESA-N 2 2 340.512 1.517 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NC[C@@H]1CCCO1 ZINC000332691747 141229593 /nfs/dbraw/zinc/22/95/93/141229593.db2.gz UCPLZSBPYNKDJN-WBVHZDCISA-N 2 2 346.475 1.694 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NC[C@@H]1CCCO1 ZINC000332691747 141229595 /nfs/dbraw/zinc/22/95/95/141229595.db2.gz UCPLZSBPYNKDJN-WBVHZDCISA-N 2 2 346.475 1.694 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]cn1 ZINC000333615286 141345363 /nfs/dbraw/zinc/34/53/63/141345363.db2.gz YQMPGTFDVPFOCU-HOTGVXAUSA-N 2 2 331.464 1.406 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc[nH+]1 ZINC000333615286 141345365 /nfs/dbraw/zinc/34/53/65/141345365.db2.gz YQMPGTFDVPFOCU-HOTGVXAUSA-N 2 2 331.464 1.406 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)on1 ZINC000333822522 141388412 /nfs/dbraw/zinc/38/84/12/141388412.db2.gz HWXSHMQSYJLRAV-BJJXKVORSA-N 2 2 336.436 1.528 20 0 EDADLP CC[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000339274727 142000144 /nfs/dbraw/zinc/00/01/44/142000144.db2.gz ILKAQAJADQVWHF-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP CC[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000339274727 142000146 /nfs/dbraw/zinc/00/01/46/142000146.db2.gz ILKAQAJADQVWHF-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339413701 142041737 /nfs/dbraw/zinc/04/17/37/142041737.db2.gz ZKBFDNSAHNKEGA-GOSISDBHSA-N 2 2 343.471 1.450 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339413701 142041739 /nfs/dbraw/zinc/04/17/39/142041739.db2.gz ZKBFDNSAHNKEGA-GOSISDBHSA-N 2 2 343.471 1.450 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000339703707 142126253 /nfs/dbraw/zinc/12/62/53/142126253.db2.gz VFAJSSSAVCNJGX-AEFFLSMTSA-N 2 2 325.497 1.270 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000339703707 142126254 /nfs/dbraw/zinc/12/62/54/142126254.db2.gz VFAJSSSAVCNJGX-AEFFLSMTSA-N 2 2 325.497 1.270 20 0 EDADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000339865464 142182705 /nfs/dbraw/zinc/18/27/05/142182705.db2.gz KXGZTDJTTWFWMP-JKSUJKDBSA-N 2 2 325.497 1.676 20 0 EDADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000339865464 142182706 /nfs/dbraw/zinc/18/27/06/142182706.db2.gz KXGZTDJTTWFWMP-JKSUJKDBSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1nc2[nH]ccc2c(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)[nH+]1 ZINC000340079363 142259331 /nfs/dbraw/zinc/25/93/31/142259331.db2.gz PINKTPYFBIJSKA-AWEZNQCLSA-N 2 2 332.452 1.771 20 0 EDADLP Cc1ncc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000340420684 142385833 /nfs/dbraw/zinc/38/58/33/142385833.db2.gz QJMUWCDHVAACAS-UHFFFAOYSA-N 2 2 342.443 1.786 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000344780106 143011109 /nfs/dbraw/zinc/01/11/09/143011109.db2.gz XCZIJKXYQWVBEB-UHFFFAOYSA-N 2 2 348.491 1.033 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000344780106 143011110 /nfs/dbraw/zinc/01/11/10/143011110.db2.gz XCZIJKXYQWVBEB-UHFFFAOYSA-N 2 2 348.491 1.033 20 0 EDADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)n1 ZINC000344863113 143021042 /nfs/dbraw/zinc/02/10/42/143021042.db2.gz JISHMEZLEIDSGZ-WPKBUWHJSA-N 2 2 343.431 1.364 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000344873320 143022252 /nfs/dbraw/zinc/02/22/52/143022252.db2.gz AAPFFLKJOKKQSV-UHFFFAOYSA-N 3 2 341.544 1.386 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)C1 ZINC000345331418 143079028 /nfs/dbraw/zinc/07/90/28/143079028.db2.gz VSSCDSQAJCBDKH-CNDLSXRNSA-N 2 2 328.460 1.816 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@@H]2c2cccnc2)C1 ZINC000345331418 143079029 /nfs/dbraw/zinc/07/90/29/143079029.db2.gz VSSCDSQAJCBDKH-CNDLSXRNSA-N 2 2 328.460 1.816 20 0 EDADLP [NH3+][C@H](CC(F)F)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000345687192 143121476 /nfs/dbraw/zinc/12/14/76/143121476.db2.gz GVABSSGHKYEHQN-LSDHHAIUSA-N 2 2 341.402 1.029 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CC(F)F)c[nH+]2)C[C@H](C)O1 ZINC000345706127 143123647 /nfs/dbraw/zinc/12/36/47/143123647.db2.gz GPFNGLKSTZBUKS-NTZNESFSSA-N 2 2 342.390 1.294 20 0 EDADLP CC[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+](CC)CC ZINC000345772167 143131643 /nfs/dbraw/zinc/13/16/43/143131643.db2.gz VOXOMBAPBPVGGX-MRXNPFEDSA-N 2 2 337.468 1.274 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000346379686 143198963 /nfs/dbraw/zinc/19/89/63/143198963.db2.gz IQADFPMTOUOPBB-VUXNLXKLSA-N 2 2 349.519 1.817 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000346379686 143198964 /nfs/dbraw/zinc/19/89/64/143198964.db2.gz IQADFPMTOUOPBB-VUXNLXKLSA-N 2 2 349.519 1.817 20 0 EDADLP CC[C@H](C)NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346941802 143264210 /nfs/dbraw/zinc/26/42/10/143264210.db2.gz WBKLZCFVRDOYQX-DAYGRLMNSA-N 2 2 335.496 1.650 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346941802 143264211 /nfs/dbraw/zinc/26/42/11/143264211.db2.gz WBKLZCFVRDOYQX-DAYGRLMNSA-N 2 2 335.496 1.650 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346941802 143264212 /nfs/dbraw/zinc/26/42/12/143264212.db2.gz WBKLZCFVRDOYQX-DAYGRLMNSA-N 2 2 335.496 1.650 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346941802 143264213 /nfs/dbraw/zinc/26/42/13/143264213.db2.gz WBKLZCFVRDOYQX-DAYGRLMNSA-N 2 2 335.496 1.650 20 0 EDADLP c1nc(N2CCOCC2)sc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347115442 143284366 /nfs/dbraw/zinc/28/43/66/143284366.db2.gz UQAMLZRCRQLPPH-UHFFFAOYSA-N 2 2 336.505 1.944 20 0 EDADLP COc1cccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1OC(C)C ZINC000347216228 143296101 /nfs/dbraw/zinc/29/61/01/143296101.db2.gz RDYGZNJQSJTBNB-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP COc1cccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1OC(C)C ZINC000347216228 143296102 /nfs/dbraw/zinc/29/61/02/143296102.db2.gz RDYGZNJQSJTBNB-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000347319135 143308025 /nfs/dbraw/zinc/30/80/25/143308025.db2.gz WDHRSOXYPIODFZ-SJLPKXTDSA-N 2 2 333.476 1.410 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](CO)C2)CC1 ZINC000347319135 143308026 /nfs/dbraw/zinc/30/80/26/143308026.db2.gz WDHRSOXYPIODFZ-SJLPKXTDSA-N 2 2 333.476 1.410 20 0 EDADLP CC(C)N(CC[NH+]1CCCCCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000347348906 143311606 /nfs/dbraw/zinc/31/16/06/143311606.db2.gz UTALONQPJNEGNO-GOSISDBHSA-N 2 2 327.513 1.266 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cn1C ZINC000347636657 143343911 /nfs/dbraw/zinc/34/39/11/143343911.db2.gz JXCDJMPENOISTK-UHFFFAOYSA-N 2 2 328.416 1.837 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(c3ccnn3CCO)CC2)s1 ZINC000347863145 143371668 /nfs/dbraw/zinc/37/16/68/143371668.db2.gz WBTFJPPZZZGPDE-UHFFFAOYSA-N 2 2 349.504 1.773 20 0 EDADLP Cc1c(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cnn1C ZINC000348092298 143399739 /nfs/dbraw/zinc/39/97/39/143399739.db2.gz WYUAROSEIDEERF-HZPDHXFCSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1c(C[N@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cnn1C ZINC000348092298 143399740 /nfs/dbraw/zinc/39/97/40/143399740.db2.gz WYUAROSEIDEERF-HZPDHXFCSA-N 2 2 334.443 1.506 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000573263169 306616812 /nfs/dbraw/zinc/61/68/12/306616812.db2.gz HSUQEZUUHNFRRD-WBVHZDCISA-N 2 2 346.475 1.269 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416818641 304349714 /nfs/dbraw/zinc/34/97/14/304349714.db2.gz RDSIAWXWJSYMOD-QZTJIDSGSA-N 2 2 348.491 1.704 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416818641 304349715 /nfs/dbraw/zinc/34/97/15/304349715.db2.gz RDSIAWXWJSYMOD-QZTJIDSGSA-N 2 2 348.491 1.704 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416895325 304353796 /nfs/dbraw/zinc/35/37/96/304353796.db2.gz SQLZFTDGWRJARL-NUJGCVRESA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[C@@H]1O ZINC000352695616 149119774 /nfs/dbraw/zinc/11/97/74/149119774.db2.gz IIBWKYKEABGBOU-ROUUACIJSA-N 2 2 347.459 1.303 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[C@@H]1O ZINC000352695616 149119776 /nfs/dbraw/zinc/11/97/76/149119776.db2.gz IIBWKYKEABGBOU-ROUUACIJSA-N 2 2 347.459 1.303 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000352744224 149145381 /nfs/dbraw/zinc/14/53/81/149145381.db2.gz MKGZVRDTYYGIMO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000352744224 149145382 /nfs/dbraw/zinc/14/53/82/149145382.db2.gz MKGZVRDTYYGIMO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352744224 149145384 /nfs/dbraw/zinc/14/53/84/149145384.db2.gz MKGZVRDTYYGIMO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352744224 149145386 /nfs/dbraw/zinc/14/53/86/149145386.db2.gz MKGZVRDTYYGIMO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416898650 304354371 /nfs/dbraw/zinc/35/43/71/304354371.db2.gz BRJYTDBXMJOHHE-CABCVRRESA-N 2 2 333.411 1.931 20 0 EDADLP COCCOc1ncccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352791065 149166486 /nfs/dbraw/zinc/16/64/86/149166486.db2.gz GOTGDIVMCRKEQV-UHFFFAOYSA-N 2 2 336.461 1.915 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000416902810 304355017 /nfs/dbraw/zinc/35/50/17/304355017.db2.gz BVTGAVNORAQLQX-GJZGRUSLSA-N 2 2 331.395 1.781 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000329192487 286094029 /nfs/dbraw/zinc/09/40/29/286094029.db2.gz QWWGGZZQWOPLTF-JYJNAYRXSA-N 2 2 332.448 1.157 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](CO)c2ccsc2)CC1 ZINC000353203675 149323487 /nfs/dbraw/zinc/32/34/87/149323487.db2.gz AOLKNKVCEKRQBV-HNNXBMFYSA-N 2 2 340.493 1.107 20 0 EDADLP CO[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000353220528 149329202 /nfs/dbraw/zinc/32/92/02/149329202.db2.gz PVNLYEANUGSKDD-IAGOWNOFSA-N 2 2 333.476 1.859 20 0 EDADLP CO[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000353220528 149329203 /nfs/dbraw/zinc/32/92/03/149329203.db2.gz PVNLYEANUGSKDD-IAGOWNOFSA-N 2 2 333.476 1.859 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc2)CC1 ZINC000353331843 149368613 /nfs/dbraw/zinc/36/86/13/149368613.db2.gz VAQIWKZFQGZIDC-GOSISDBHSA-N 2 2 346.475 1.663 20 0 EDADLP COCc1ccc(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)o1 ZINC000354865023 150001629 /nfs/dbraw/zinc/00/16/29/150001629.db2.gz QOZSHSWDTCYBRX-KGLIPLIRSA-N 2 2 336.411 1.862 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccnc2N(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354973529 150060990 /nfs/dbraw/zinc/06/09/90/150060990.db2.gz FNGLMIGOAQEQRY-OAHLLOKOSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccnc2N(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354973529 150060991 /nfs/dbraw/zinc/06/09/91/150060991.db2.gz FNGLMIGOAQEQRY-OAHLLOKOSA-N 2 2 345.491 1.388 20 0 EDADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3c(C)[nH+]c4ccccc43)[C@H]2C1 ZINC000355296651 150203690 /nfs/dbraw/zinc/20/36/90/150203690.db2.gz FYELWCGCXFDEON-ROUUACIJSA-N 2 2 342.443 1.666 20 0 EDADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3c(C)[nH+]c4ccccc43)[C@H]2C1 ZINC000355296651 150203694 /nfs/dbraw/zinc/20/36/94/150203694.db2.gz FYELWCGCXFDEON-ROUUACIJSA-N 2 2 342.443 1.666 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000355307190 150209634 /nfs/dbraw/zinc/20/96/34/150209634.db2.gz HAADKMNXDROUTD-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000355307190 150209636 /nfs/dbraw/zinc/20/96/36/150209636.db2.gz HAADKMNXDROUTD-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+](C)C1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000355569539 150317596 /nfs/dbraw/zinc/31/75/96/150317596.db2.gz SDNWGTWJRIACNU-UHFFFAOYSA-N 2 2 332.448 1.080 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)c2cc(C[NH+](C)C)on2)c[nH+]1 ZINC000355703710 150366448 /nfs/dbraw/zinc/36/64/48/150366448.db2.gz QCGNPPKIZHDWLZ-UHFFFAOYSA-N 2 2 331.420 1.907 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417032589 304363305 /nfs/dbraw/zinc/36/33/05/304363305.db2.gz HLGGZIACIZYZPQ-NVXWUHKLSA-N 2 2 334.464 1.487 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)no1 ZINC000370009747 155278470 /nfs/dbraw/zinc/27/84/70/155278470.db2.gz LCKGRASCJBFQNK-QWHCGFSZSA-N 2 2 335.452 1.357 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)no1 ZINC000370009747 155278472 /nfs/dbraw/zinc/27/84/72/155278472.db2.gz LCKGRASCJBFQNK-QWHCGFSZSA-N 2 2 335.452 1.357 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370017565 155282440 /nfs/dbraw/zinc/28/24/40/155282440.db2.gz FVJWESMANAPZOW-KDOFPFPSSA-N 2 2 335.448 1.713 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370017565 155282445 /nfs/dbraw/zinc/28/24/45/155282445.db2.gz FVJWESMANAPZOW-KDOFPFPSSA-N 2 2 335.448 1.713 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000357640158 151096877 /nfs/dbraw/zinc/09/68/77/151096877.db2.gz YIFIMMJRYBSUOL-IRXDYDNUSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000357640158 151096878 /nfs/dbraw/zinc/09/68/78/151096878.db2.gz YIFIMMJRYBSUOL-IRXDYDNUSA-N 2 2 347.503 1.811 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357646802 151099462 /nfs/dbraw/zinc/09/94/62/151099462.db2.gz ILRGAQHCNPTLAH-GOSISDBHSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357646802 151099463 /nfs/dbraw/zinc/09/94/63/151099463.db2.gz ILRGAQHCNPTLAH-GOSISDBHSA-N 2 2 336.476 1.432 20 0 EDADLP CN(Cc1ccccc1F)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649547 151101587 /nfs/dbraw/zinc/10/15/87/151101587.db2.gz NBJLAJZBWDKSPY-UHFFFAOYSA-N 2 2 337.439 1.173 20 0 EDADLP CN(Cc1ccccc1F)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649547 151101590 /nfs/dbraw/zinc/10/15/90/151101590.db2.gz NBJLAJZBWDKSPY-UHFFFAOYSA-N 2 2 337.439 1.173 20 0 EDADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357651076 151102386 /nfs/dbraw/zinc/10/23/86/151102386.db2.gz RWDVTZACGIYYOM-OAHLLOKOSA-N 2 2 333.476 1.965 20 0 EDADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357651076 151102389 /nfs/dbraw/zinc/10/23/89/151102389.db2.gz RWDVTZACGIYYOM-OAHLLOKOSA-N 2 2 333.476 1.965 20 0 EDADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653246 151102983 /nfs/dbraw/zinc/10/29/83/151102983.db2.gz VOLSSLYHRXOJNK-GFCCVEGCSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653246 151102985 /nfs/dbraw/zinc/10/29/85/151102985.db2.gz VOLSSLYHRXOJNK-GFCCVEGCSA-N 2 2 341.402 1.680 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000357761985 151142502 /nfs/dbraw/zinc/14/25/02/151142502.db2.gz ABABMAVBUTZRMQ-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000357761985 151142504 /nfs/dbraw/zinc/14/25/04/151142504.db2.gz ABABMAVBUTZRMQ-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000357761985 151142506 /nfs/dbraw/zinc/14/25/06/151142506.db2.gz ABABMAVBUTZRMQ-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000357761985 151142510 /nfs/dbraw/zinc/14/25/10/151142510.db2.gz ABABMAVBUTZRMQ-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP [NH3+]C[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCO1 ZINC000357947596 151206629 /nfs/dbraw/zinc/20/66/29/151206629.db2.gz QZNDCVJZOMXYCK-LBPRGKRZSA-N 2 2 325.210 1.256 20 0 EDADLP Cc1cc(Br)cn2c(CN3CCO[C@H](C[NH3+])C3)c[nH+]c12 ZINC000357959693 151211270 /nfs/dbraw/zinc/21/12/70/151211270.db2.gz LJKGTUPSIFAXJW-CYBMUJFWSA-N 2 2 339.237 1.565 20 0 EDADLP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000358168904 151294985 /nfs/dbraw/zinc/29/49/85/151294985.db2.gz OFACTCRAFKRKCA-NLWGTHIKSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000358168904 151294986 /nfs/dbraw/zinc/29/49/86/151294986.db2.gz OFACTCRAFKRKCA-NLWGTHIKSA-N 2 2 346.519 1.992 20 0 EDADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358264797 151320845 /nfs/dbraw/zinc/32/08/45/151320845.db2.gz ZDCTXNTXEKAMSV-OALUTQOASA-N 2 2 333.476 1.025 20 0 EDADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358264797 151320847 /nfs/dbraw/zinc/32/08/47/151320847.db2.gz ZDCTXNTXEKAMSV-OALUTQOASA-N 2 2 333.476 1.025 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358263523 151321197 /nfs/dbraw/zinc/32/11/97/151321197.db2.gz HHGZAHCHRJKHRM-UHFFFAOYSA-N 2 2 326.485 1.082 20 0 EDADLP c1cncc([C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C2CC2)c1 ZINC000358364642 151351846 /nfs/dbraw/zinc/35/18/46/151351846.db2.gz GJLBBWAMHNUNNS-FQEVSTJZSA-N 2 2 344.503 1.919 20 0 EDADLP c1cncc([C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C2CC2)c1 ZINC000358364642 151351848 /nfs/dbraw/zinc/35/18/48/151351848.db2.gz GJLBBWAMHNUNNS-FQEVSTJZSA-N 2 2 344.503 1.919 20 0 EDADLP O=S1(=O)NC(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)=Nc2ccccc21 ZINC000358507458 151399291 /nfs/dbraw/zinc/39/92/91/151399291.db2.gz KLOVVNFXXLEUDD-UHFFFAOYSA-N 2 2 334.445 1.084 20 0 EDADLP O=S1(=O)NC(C[N@H+]2CCC3(C2)CC[NH2+]CC3)=Nc2ccccc21 ZINC000358507458 151399294 /nfs/dbraw/zinc/39/92/94/151399294.db2.gz KLOVVNFXXLEUDD-UHFFFAOYSA-N 2 2 334.445 1.084 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2ccc3ccccc32)CC1 ZINC000360882582 152240781 /nfs/dbraw/zinc/24/07/81/152240781.db2.gz FQFNQEHEDVVBGS-UHFFFAOYSA-N 2 2 328.460 1.784 20 0 EDADLP C[C@@H](OC[C@H]1CCCCO1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360897662 152245727 /nfs/dbraw/zinc/24/57/27/152245727.db2.gz NDHKHXNBOUPPQB-NVXWUHKLSA-N 2 2 341.496 1.103 20 0 EDADLP CC(C)c1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)nc(N(C)C)[nH+]1 ZINC000361008285 152277700 /nfs/dbraw/zinc/27/77/00/152277700.db2.gz FAROWVRXVZKHIX-UHFFFAOYSA-N 2 2 343.479 1.722 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000361359821 152371901 /nfs/dbraw/zinc/37/19/01/152371901.db2.gz HIQVQDFLGUJNSV-RDJZCZTQSA-N 2 2 348.516 1.343 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000361359821 152371904 /nfs/dbraw/zinc/37/19/04/152371904.db2.gz HIQVQDFLGUJNSV-RDJZCZTQSA-N 2 2 348.516 1.343 20 0 EDADLP Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363731532 153040992 /nfs/dbraw/zinc/04/09/92/153040992.db2.gz SAUGITWTZDZEDN-UHFFFAOYSA-N 2 2 349.479 1.399 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCCCNC1=O)c1ccccc1 ZINC000363817574 153066116 /nfs/dbraw/zinc/06/61/16/153066116.db2.gz JSNBPVHZDGMRKW-IAGOWNOFSA-N 2 2 346.475 1.006 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCCCNC1=O)c1ccccc1 ZINC000363817574 153066118 /nfs/dbraw/zinc/06/61/18/153066118.db2.gz JSNBPVHZDGMRKW-IAGOWNOFSA-N 2 2 346.475 1.006 20 0 EDADLP CN(C(=O)c1ncncc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370205702 155377511 /nfs/dbraw/zinc/37/75/11/155377511.db2.gz DJMDQCGIQUYLBT-ZDUSSCGKSA-N 2 2 337.855 1.371 20 0 EDADLP CN(C(=O)c1ncncc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370205702 155377513 /nfs/dbraw/zinc/37/75/13/155377513.db2.gz DJMDQCGIQUYLBT-ZDUSSCGKSA-N 2 2 337.855 1.371 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000364078140 153139670 /nfs/dbraw/zinc/13/96/70/153139670.db2.gz VZDOGJRRNBGVPW-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000364078140 153139671 /nfs/dbraw/zinc/13/96/71/153139671.db2.gz VZDOGJRRNBGVPW-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364097781 153144150 /nfs/dbraw/zinc/14/41/50/153144150.db2.gz DRESVOJXQWGEAV-KSZLIROESA-N 2 2 329.444 1.240 20 0 EDADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000364097781 153144153 /nfs/dbraw/zinc/14/41/53/153144153.db2.gz DRESVOJXQWGEAV-KSZLIROESA-N 2 2 329.444 1.240 20 0 EDADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000364146117 153156084 /nfs/dbraw/zinc/15/60/84/153156084.db2.gz FSTJDOUZOBDUJV-SJLPKXTDSA-N 2 2 346.475 1.364 20 0 EDADLP Cc1ccc(OCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364206779 153172924 /nfs/dbraw/zinc/17/29/24/153172924.db2.gz LJSPOKNFVNBEKL-INIZCTEOSA-N 2 2 331.460 1.659 20 0 EDADLP Cc1ccc(OCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364206779 153172929 /nfs/dbraw/zinc/17/29/29/153172929.db2.gz LJSPOKNFVNBEKL-INIZCTEOSA-N 2 2 331.460 1.659 20 0 EDADLP CCc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364207293 153174602 /nfs/dbraw/zinc/17/46/02/153174602.db2.gz NSBOELKQKPAUJZ-QGZVFWFLSA-N 2 2 345.487 1.913 20 0 EDADLP CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364207293 153174605 /nfs/dbraw/zinc/17/46/05/153174605.db2.gz NSBOELKQKPAUJZ-QGZVFWFLSA-N 2 2 345.487 1.913 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364220056 153178551 /nfs/dbraw/zinc/17/85/51/153178551.db2.gz XVKOWWMCQCFRMT-RKVPGOIHSA-N 2 2 349.500 1.579 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3cccc(-n4cc[nH+]c4)n3)CC2)c1 ZINC000364335235 153209300 /nfs/dbraw/zinc/20/93/00/153209300.db2.gz FZCALISETOBQIR-UHFFFAOYSA-N 2 2 336.399 1.998 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(C(C)(C)C)nn3)C2)CC1 ZINC000364473729 153247547 /nfs/dbraw/zinc/24/75/47/153247547.db2.gz UTEJAOBFYWAOGS-KRWDZBQOSA-N 2 2 334.512 1.633 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000364540480 153263756 /nfs/dbraw/zinc/26/37/56/153263756.db2.gz VPKWJZLUHFWWAH-LSDHHAIUSA-N 2 2 345.447 1.983 20 0 EDADLP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3nnnn3C3CC3)C2)nc(C)[nH+]1 ZINC000364577578 153277571 /nfs/dbraw/zinc/27/75/71/153277571.db2.gz MKADTKCCJIJHEY-TZMCWYRMSA-N 2 2 342.451 1.734 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC(OCCC[NH3+])CC3)cn2c1 ZINC000417198918 304383693 /nfs/dbraw/zinc/38/36/93/304383693.db2.gz WZKZERXOGVNLKO-UHFFFAOYSA-N 2 2 345.447 1.682 20 0 EDADLP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000364748816 153322335 /nfs/dbraw/zinc/32/23/35/153322335.db2.gz OJIWEQXYCOJJPF-OAHLLOKOSA-N 2 2 332.448 1.349 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3ncnn3C(C)C)CC2)CC1 ZINC000364995960 153393916 /nfs/dbraw/zinc/39/39/16/153393916.db2.gz HAFQMSMZJFLONJ-UHFFFAOYSA-N 2 2 334.512 1.851 20 0 EDADLP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)Cc1ccccc1 ZINC000417233074 304386610 /nfs/dbraw/zinc/38/66/10/304386610.db2.gz RHARQCXMGFEITQ-HNNXBMFYSA-N 2 2 340.418 1.662 20 0 EDADLP C[N@@H+](CCNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)Cc1ccccc1 ZINC000417233074 304386611 /nfs/dbraw/zinc/38/66/11/304386611.db2.gz RHARQCXMGFEITQ-HNNXBMFYSA-N 2 2 340.418 1.662 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000367086888 154005700 /nfs/dbraw/zinc/00/57/00/154005700.db2.gz VPJYOVMNNJVEPL-SFHVURJKSA-N 2 2 349.450 1.801 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000367208335 154042119 /nfs/dbraw/zinc/04/21/19/154042119.db2.gz IUJVNKAWZCBOQQ-UHFFFAOYSA-N 2 2 345.447 1.020 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cn[nH]c1 ZINC000367541986 154166929 /nfs/dbraw/zinc/16/69/29/154166929.db2.gz LNKUCVVHAIHLGU-UONOGXRCSA-N 2 2 334.468 1.281 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cn[nH]c1 ZINC000367541986 154166934 /nfs/dbraw/zinc/16/69/34/154166934.db2.gz LNKUCVVHAIHLGU-UONOGXRCSA-N 2 2 334.468 1.281 20 0 EDADLP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccnc1 ZINC000367564774 154179477 /nfs/dbraw/zinc/17/94/77/154179477.db2.gz PQALCMTYALPIGY-SFHVURJKSA-N 2 2 326.444 1.807 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H]1Cc2ccccc21 ZINC000367894454 154316295 /nfs/dbraw/zinc/31/62/95/154316295.db2.gz CZFIBEPHQPXOQX-BHIYHBOVSA-N 2 2 329.488 1.663 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000367894454 154316298 /nfs/dbraw/zinc/31/62/98/154316298.db2.gz CZFIBEPHQPXOQX-BHIYHBOVSA-N 2 2 329.488 1.663 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000367894454 154316300 /nfs/dbraw/zinc/31/63/00/154316300.db2.gz CZFIBEPHQPXOQX-BHIYHBOVSA-N 2 2 329.488 1.663 20 0 EDADLP CCC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000369511257 155063942 /nfs/dbraw/zinc/06/39/42/155063942.db2.gz ASCDSDODDCIBCB-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP CCC[N@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000369511257 155063944 /nfs/dbraw/zinc/06/39/44/155063944.db2.gz ASCDSDODDCIBCB-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP CCC[NH+]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000369511257 155063948 /nfs/dbraw/zinc/06/39/48/155063948.db2.gz ASCDSDODDCIBCB-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP CCC[NH+]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000369511257 155063951 /nfs/dbraw/zinc/06/39/51/155063951.db2.gz ASCDSDODDCIBCB-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000371663958 156053062 /nfs/dbraw/zinc/05/30/62/156053062.db2.gz FXYHYIZNQAQNJC-XLIONFOSSA-N 2 2 345.487 1.569 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000371663958 156053067 /nfs/dbraw/zinc/05/30/67/156053067.db2.gz FXYHYIZNQAQNJC-XLIONFOSSA-N 2 2 345.487 1.569 20 0 EDADLP C[N@H+](CCNC(=O)C1([NH+]2CCOCC2)CCC1)Cc1ccc(F)cc1 ZINC000371702953 156069376 /nfs/dbraw/zinc/06/93/76/156069376.db2.gz HNBDNCREZXIZKD-UHFFFAOYSA-N 2 2 349.450 1.629 20 0 EDADLP C[N@@H+](CCNC(=O)C1([NH+]2CCOCC2)CCC1)Cc1ccc(F)cc1 ZINC000371702953 156069378 /nfs/dbraw/zinc/06/93/78/156069378.db2.gz HNBDNCREZXIZKD-UHFFFAOYSA-N 2 2 349.450 1.629 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000371813450 156117208 /nfs/dbraw/zinc/11/72/08/156117208.db2.gz DJDYDMRLILHRHA-UHFFFAOYSA-N 2 2 345.487 1.266 20 0 EDADLP CNC(=O)Cc1noc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n1 ZINC000371880238 156150406 /nfs/dbraw/zinc/15/04/06/156150406.db2.gz RQBPNPIGLYNPMP-ZDUSSCGKSA-N 2 2 344.419 1.138 20 0 EDADLP CNC(=O)Cc1noc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n1 ZINC000371880238 156150408 /nfs/dbraw/zinc/15/04/08/156150408.db2.gz RQBPNPIGLYNPMP-ZDUSSCGKSA-N 2 2 344.419 1.138 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](O)COC2CCOCC2)[nH+]1 ZINC000371896460 156158471 /nfs/dbraw/zinc/15/84/71/156158471.db2.gz UVENONMDGDJMKQ-SJORKVTESA-N 2 2 349.475 1.823 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)COC2CCOCC2)[nH+]1 ZINC000371896460 156158478 /nfs/dbraw/zinc/15/84/78/156158478.db2.gz UVENONMDGDJMKQ-SJORKVTESA-N 2 2 349.475 1.823 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843775 157029587 /nfs/dbraw/zinc/02/95/87/157029587.db2.gz HHEDNTKKZMHFLD-AQNXPRMDSA-N 2 2 344.503 1.699 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843775 157029593 /nfs/dbraw/zinc/02/95/93/157029593.db2.gz HHEDNTKKZMHFLD-AQNXPRMDSA-N 2 2 344.503 1.699 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843775 157029596 /nfs/dbraw/zinc/02/95/96/157029596.db2.gz HHEDNTKKZMHFLD-AQNXPRMDSA-N 2 2 344.503 1.699 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843775 157029600 /nfs/dbraw/zinc/02/96/00/157029600.db2.gz HHEDNTKKZMHFLD-AQNXPRMDSA-N 2 2 344.503 1.699 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@H]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843775 157029611 /nfs/dbraw/zinc/02/96/11/157029611.db2.gz HHEDNTKKZMHFLD-AQNXPRMDSA-N 2 2 344.503 1.699 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@H]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843775 157029622 /nfs/dbraw/zinc/02/96/22/157029622.db2.gz HHEDNTKKZMHFLD-AQNXPRMDSA-N 2 2 344.503 1.699 20 0 EDADLP C(C1CCOCC1)n1nnnc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000373871319 157043513 /nfs/dbraw/zinc/04/35/13/157043513.db2.gz DDKMEQMGWDUOCN-UHFFFAOYSA-N 2 2 348.495 1.408 20 0 EDADLP COC(=O)c1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374253279 157213986 /nfs/dbraw/zinc/21/39/86/157213986.db2.gz GZASEXMRJWABKZ-APWZRJJASA-N 2 2 345.487 1.931 20 0 EDADLP COC(=O)c1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374253279 157213988 /nfs/dbraw/zinc/21/39/88/157213988.db2.gz GZASEXMRJWABKZ-APWZRJJASA-N 2 2 345.487 1.931 20 0 EDADLP O=C1[C@H]([NH2+][C@H]2CCc3ccccc32)CCCN1CC[NH+]1CCOCC1 ZINC000374743404 157384587 /nfs/dbraw/zinc/38/45/87/157384587.db2.gz MZJBMTUSIMXOKV-RBUKOAKNSA-N 2 2 343.471 1.587 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3n[nH]cc3C)CC2)CC1 ZINC000378126157 158086548 /nfs/dbraw/zinc/08/65/48/158086548.db2.gz ANNVNJWVEUDLQL-UHFFFAOYSA-N 2 2 333.480 1.484 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3[nH]ncc3C)CC2)CC1 ZINC000378126157 158086549 /nfs/dbraw/zinc/08/65/49/158086549.db2.gz ANNVNJWVEUDLQL-UHFFFAOYSA-N 2 2 333.480 1.484 20 0 EDADLP CN(C(=O)Cc1ccc(O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378140265 158089354 /nfs/dbraw/zinc/08/93/54/158089354.db2.gz LDNNIVBKBFIQOU-QGZVFWFLSA-N 2 2 331.460 1.562 20 0 EDADLP CN(C(=O)Cc1ccc(O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378140265 158089355 /nfs/dbraw/zinc/08/93/55/158089355.db2.gz LDNNIVBKBFIQOU-QGZVFWFLSA-N 2 2 331.460 1.562 20 0 EDADLP CN1CC[NH+](C2(CNC(=O)[C@@H]3CSC[NH2+]3)CCCCCC2)CC1 ZINC000378203397 158107981 /nfs/dbraw/zinc/10/79/81/158107981.db2.gz QIJRFKSWYZPHFF-HNNXBMFYSA-N 2 2 340.537 1.106 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378365490 158153959 /nfs/dbraw/zinc/15/39/59/158153959.db2.gz KGSWMDIEXPOCEU-ZDUSSCGKSA-N 2 2 331.464 1.528 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378365490 158153960 /nfs/dbraw/zinc/15/39/60/158153960.db2.gz KGSWMDIEXPOCEU-ZDUSSCGKSA-N 2 2 331.464 1.528 20 0 EDADLP O=C1NCCCC[C@H]1[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000378440535 158173525 /nfs/dbraw/zinc/17/35/25/158173525.db2.gz BTUGZDWCHPVUJI-MRXNPFEDSA-N 2 2 327.432 1.121 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@H]2C1 ZINC000378502349 158192671 /nfs/dbraw/zinc/19/26/71/158192671.db2.gz YJDNRMBLHNERHA-HOTGVXAUSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@H]2C1 ZINC000378502349 158192674 /nfs/dbraw/zinc/19/26/74/158192674.db2.gz YJDNRMBLHNERHA-HOTGVXAUSA-N 2 2 340.431 1.503 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccn1 ZINC000378559896 158208650 /nfs/dbraw/zinc/20/86/50/158208650.db2.gz ADJNEOFMNWFLEF-RDJZCZTQSA-N 2 2 332.448 1.055 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352495222 162211494 /nfs/dbraw/zinc/21/14/94/162211494.db2.gz JQTMOZCOOPZMFC-HOCLYGCPSA-N 2 2 332.448 1.002 20 0 EDADLP CNC(=O)[C@@H](CCSC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000352496316 162212084 /nfs/dbraw/zinc/21/20/84/162212084.db2.gz UTYOBDAQKHCGDN-MRXNPFEDSA-N 2 2 336.505 1.503 20 0 EDADLP CCN(C(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352502965 162215915 /nfs/dbraw/zinc/21/59/15/162215915.db2.gz AMNOBGIVDYUVNR-WMZOPIPTSA-N 2 2 330.476 1.408 20 0 EDADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352518690 162226242 /nfs/dbraw/zinc/22/62/42/162226242.db2.gz JFTHVNBEAMLVFL-DLBZAZTESA-N 2 2 330.476 1.610 20 0 EDADLP COc1cc[nH+]c(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c1OC ZINC000364515920 162334319 /nfs/dbraw/zinc/33/43/19/162334319.db2.gz FDEOCKWUAQKTBS-CABCVRRESA-N 2 2 335.448 1.520 20 0 EDADLP COc1cc[nH+]c(CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1OC ZINC000364515920 162334322 /nfs/dbraw/zinc/33/43/22/162334322.db2.gz FDEOCKWUAQKTBS-CABCVRRESA-N 2 2 335.448 1.520 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000364954069 162344430 /nfs/dbraw/zinc/34/44/30/162344430.db2.gz JGDFTCYOYCYXDM-JSGCOSHPSA-N 2 2 326.391 1.263 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000364954069 162344433 /nfs/dbraw/zinc/34/44/33/162344433.db2.gz JGDFTCYOYCYXDM-JSGCOSHPSA-N 2 2 326.391 1.263 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)sc2n1 ZINC000158575254 225044967 /nfs/dbraw/zinc/04/49/67/225044967.db2.gz OOECYLPQTYOWQG-CHWSQXEVSA-N 2 2 333.461 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)sc2n1 ZINC000158575254 225044969 /nfs/dbraw/zinc/04/49/69/225044969.db2.gz OOECYLPQTYOWQG-CHWSQXEVSA-N 2 2 333.461 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)sc2n1 ZINC000158575254 225044974 /nfs/dbraw/zinc/04/49/74/225044974.db2.gz OOECYLPQTYOWQG-CHWSQXEVSA-N 2 2 333.461 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)sc2n1 ZINC000158575254 225044978 /nfs/dbraw/zinc/04/49/78/225044978.db2.gz OOECYLPQTYOWQG-CHWSQXEVSA-N 2 2 333.461 1.376 20 0 EDADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C[NH+]1CCOCC1 ZINC000122513175 287381229 /nfs/dbraw/zinc/38/12/29/287381229.db2.gz HGSCBUALFODZOO-PMPSAXMXSA-N 2 2 341.496 1.990 20 0 EDADLP C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[N@H+](C)C1CC1 ZINC000171613883 227173234 /nfs/dbraw/zinc/17/32/34/227173234.db2.gz XXTWBJTXNXUYQC-CQSZACIVSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[N@@H+](C)C1CC1 ZINC000171613883 227173237 /nfs/dbraw/zinc/17/32/37/227173237.db2.gz XXTWBJTXNXUYQC-CQSZACIVSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCS1 ZINC000171691882 227222831 /nfs/dbraw/zinc/22/28/31/227222831.db2.gz NCWNWNBSEIVZRE-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CCS1 ZINC000171691882 227222839 /nfs/dbraw/zinc/22/28/39/227222839.db2.gz NCWNWNBSEIVZRE-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000131366978 287509498 /nfs/dbraw/zinc/50/94/98/287509498.db2.gz UYOGZPXFLVIUOB-CYBMUJFWSA-N 2 2 338.374 1.072 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)CC2 ZINC000237289600 273008814 /nfs/dbraw/zinc/00/88/14/273008814.db2.gz CHMMIEFFWYZRQQ-QGZVFWFLSA-N 2 2 349.475 1.552 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)CC2 ZINC000237289600 273008815 /nfs/dbraw/zinc/00/88/15/273008815.db2.gz CHMMIEFFWYZRQQ-QGZVFWFLSA-N 2 2 349.475 1.552 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245457159 273015102 /nfs/dbraw/zinc/01/51/02/273015102.db2.gz UEVRPGAZLWHKCQ-HOTGVXAUSA-N 2 2 338.496 1.665 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245457159 273015103 /nfs/dbraw/zinc/01/51/03/273015103.db2.gz UEVRPGAZLWHKCQ-HOTGVXAUSA-N 2 2 338.496 1.665 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000274316433 268124167 /nfs/dbraw/zinc/12/41/67/268124167.db2.gz WLFJQXXHEAIXAV-IBGZPJMESA-N 2 2 345.487 1.530 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000274629478 268172107 /nfs/dbraw/zinc/17/21/07/268172107.db2.gz HSPIHMJHZRBRJG-UHFFFAOYSA-N 2 2 327.419 1.837 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000274629478 268172108 /nfs/dbraw/zinc/17/21/08/268172108.db2.gz HSPIHMJHZRBRJG-UHFFFAOYSA-N 2 2 327.419 1.837 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274785401 268205694 /nfs/dbraw/zinc/20/56/94/268205694.db2.gz FTEFZYVLFWWELU-CQSZACIVSA-N 2 2 332.452 1.041 20 0 EDADLP CS(=O)(=O)CCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000274819576 268213297 /nfs/dbraw/zinc/21/32/97/268213297.db2.gz XSJXZFONFABRHN-UHFFFAOYSA-N 2 2 325.478 1.855 20 0 EDADLP C[C@H](CNC(=O)c1c[nH+]ccc1N)[NH+]1CCN(c2ccccc2)CC1 ZINC000275634371 268366514 /nfs/dbraw/zinc/36/65/14/268366514.db2.gz JSWKNLKLWQLUKS-OAHLLOKOSA-N 2 2 339.443 1.604 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000278521810 268674069 /nfs/dbraw/zinc/67/40/69/268674069.db2.gz CQBHXOITMQKEBT-ZDUSSCGKSA-N 2 2 346.431 1.610 20 0 EDADLP Clc1cnc(NCCn2cc[nH+]c2)nc1NCCn1cc[nH+]c1 ZINC000273443848 273040302 /nfs/dbraw/zinc/04/03/02/273040302.db2.gz DSEPUCRATJERHK-UHFFFAOYSA-N 2 2 332.799 1.747 20 0 EDADLP Cc1ccc(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)n1C ZINC000275667701 273117741 /nfs/dbraw/zinc/11/77/41/273117741.db2.gz LKRSMDXYGTWLJH-MRXNPFEDSA-N 2 2 341.459 1.852 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000280858817 273407559 /nfs/dbraw/zinc/40/75/59/273407559.db2.gz WWQLMUVUINDWPI-RHSMWYFYSA-N 2 2 344.463 1.645 20 0 EDADLP Cc1ccc(NCCCNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)[nH+]c1 ZINC000281022001 273426664 /nfs/dbraw/zinc/42/66/64/273426664.db2.gz UIYUPPABJAWZOW-INIZCTEOSA-N 2 2 330.436 1.345 20 0 EDADLP [NH3+]CC[C@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000282066329 273580446 /nfs/dbraw/zinc/58/04/46/273580446.db2.gz WKFBWHARSWPEFZ-MRXNPFEDSA-N 2 2 331.460 1.720 20 0 EDADLP CC(C)COC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000282992652 273753694 /nfs/dbraw/zinc/75/36/94/273753694.db2.gz FAJYTFUNWHEBGL-MRXNPFEDSA-N 2 2 337.464 1.747 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284604627 274261329 /nfs/dbraw/zinc/26/13/29/274261329.db2.gz LPGPBEROZZIQEE-CZUORRHYSA-N 2 2 342.447 1.617 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284667022 274286241 /nfs/dbraw/zinc/28/62/41/274286241.db2.gz QRBXCLLZQAVPRU-OTWHNJEPSA-N 2 2 334.460 1.359 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284667022 274286242 /nfs/dbraw/zinc/28/62/42/274286242.db2.gz QRBXCLLZQAVPRU-OTWHNJEPSA-N 2 2 334.460 1.359 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284667022 274286243 /nfs/dbraw/zinc/28/62/43/274286243.db2.gz QRBXCLLZQAVPRU-OTWHNJEPSA-N 2 2 334.460 1.359 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284667022 274286244 /nfs/dbraw/zinc/28/62/44/274286244.db2.gz QRBXCLLZQAVPRU-OTWHNJEPSA-N 2 2 334.460 1.359 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000284784622 274331007 /nfs/dbraw/zinc/33/10/07/274331007.db2.gz VOLYKAAXNCHJRN-HNNXBMFYSA-N 2 2 349.479 1.149 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000284784622 274331008 /nfs/dbraw/zinc/33/10/08/274331008.db2.gz VOLYKAAXNCHJRN-HNNXBMFYSA-N 2 2 349.479 1.149 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000370637626 274393493 /nfs/dbraw/zinc/39/34/93/274393493.db2.gz VFEYOASKNOVAKG-RBSFLKMASA-N 2 2 328.460 1.579 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)C[N@H+]1C1CC1 ZINC000370637626 274393496 /nfs/dbraw/zinc/39/34/96/274393496.db2.gz VFEYOASKNOVAKG-RBSFLKMASA-N 2 2 328.460 1.579 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000368114933 275000264 /nfs/dbraw/zinc/00/02/64/275000264.db2.gz KQTHEVLDTWESIC-OAHLLOKOSA-N 2 2 343.431 1.910 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCSCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352395312 276012643 /nfs/dbraw/zinc/01/26/43/276012643.db2.gz FUZADVUCDIKRAC-OWCLPIDISA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCSCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352395312 276012645 /nfs/dbraw/zinc/01/26/45/276012645.db2.gz FUZADVUCDIKRAC-OWCLPIDISA-N 2 2 343.537 1.285 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000378123830 276315411 /nfs/dbraw/zinc/31/54/11/276315411.db2.gz SGSHAGLLJWFKLU-RDJZCZTQSA-N 2 2 349.479 1.545 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000378123830 276315413 /nfs/dbraw/zinc/31/54/13/276315413.db2.gz SGSHAGLLJWFKLU-RDJZCZTQSA-N 2 2 349.479 1.545 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CCSCC3)C2)CC1 ZINC000371676329 277028265 /nfs/dbraw/zinc/02/82/65/277028265.db2.gz VKUIPHZIRRPCJT-AWEZNQCLSA-N 2 2 326.510 1.350 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CCSCC3)C2)CC1 ZINC000371676329 277028266 /nfs/dbraw/zinc/02/82/66/277028266.db2.gz VKUIPHZIRRPCJT-AWEZNQCLSA-N 2 2 326.510 1.350 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000364727672 277140627 /nfs/dbraw/zinc/14/06/27/277140627.db2.gz GRRNPBGJMONWTF-ZACQAIPSSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000364727672 277140628 /nfs/dbraw/zinc/14/06/28/277140628.db2.gz GRRNPBGJMONWTF-ZACQAIPSSA-N 2 2 343.475 1.786 20 0 EDADLP COCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000367078309 277237602 /nfs/dbraw/zinc/23/76/02/277237602.db2.gz BIVIBWLUTBGJLR-FUHWJXTLSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000341267568 277384415 /nfs/dbraw/zinc/38/44/15/277384415.db2.gz ZXKIKOSWWJWCMX-IAGOWNOFSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000341267568 277384417 /nfs/dbraw/zinc/38/44/17/277384417.db2.gz ZXKIKOSWWJWCMX-IAGOWNOFSA-N 2 2 338.496 1.221 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[C@H]1O ZINC000286420401 288001627 /nfs/dbraw/zinc/00/16/27/288001627.db2.gz IIBWKYKEABGBOU-QZTJIDSGSA-N 2 2 347.459 1.303 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[C@H]1O ZINC000286420401 288001629 /nfs/dbraw/zinc/00/16/29/288001629.db2.gz IIBWKYKEABGBOU-QZTJIDSGSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477643 278156421 /nfs/dbraw/zinc/15/64/21/278156421.db2.gz GBVSMBQEJGWXDS-INMHGKMJSA-N 2 2 331.460 1.898 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477643 278156423 /nfs/dbraw/zinc/15/64/23/278156423.db2.gz GBVSMBQEJGWXDS-INMHGKMJSA-N 2 2 331.460 1.898 20 0 EDADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccccc1N(C)C ZINC000354165690 278343654 /nfs/dbraw/zinc/34/36/54/278343654.db2.gz XKNBZVKWCWHZNO-GOSISDBHSA-N 2 2 348.535 1.793 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000364381788 278353379 /nfs/dbraw/zinc/35/33/79/278353379.db2.gz MJQPXDVCMWICIE-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000364381788 278353381 /nfs/dbraw/zinc/35/33/81/278353381.db2.gz MJQPXDVCMWICIE-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000364381788 278353383 /nfs/dbraw/zinc/35/33/83/278353383.db2.gz MJQPXDVCMWICIE-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000364381788 278353384 /nfs/dbraw/zinc/35/33/84/278353384.db2.gz MJQPXDVCMWICIE-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1CC[NH2+]CC1(F)F)C2 ZINC000342763671 278563865 /nfs/dbraw/zinc/56/38/65/278563865.db2.gz DAUFGKGGJDPSRO-NEPJUHHUSA-N 2 2 340.418 1.856 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000091512101 279316593 /nfs/dbraw/zinc/31/65/93/279316593.db2.gz PITULDMPFJYDEH-LJQANCHMSA-N 2 2 346.519 1.461 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000363480527 288202394 /nfs/dbraw/zinc/20/23/94/288202394.db2.gz NNMRDGHONVNQPI-RBSFLKMASA-N 2 2 335.452 1.203 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098577 280397006 /nfs/dbraw/zinc/39/70/06/280397006.db2.gz BTPNCWSRTACXFL-OLZOCXBDSA-N 2 2 348.472 1.882 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098577 280397008 /nfs/dbraw/zinc/39/70/08/280397008.db2.gz BTPNCWSRTACXFL-OLZOCXBDSA-N 2 2 348.472 1.882 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000420172665 280999476 /nfs/dbraw/zinc/99/94/76/280999476.db2.gz VYLLRSUWYIMBML-KGLIPLIRSA-N 2 2 347.463 1.358 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[N@H+]1CC=CCC1)C1CCOCC1 ZINC000287886200 288347942 /nfs/dbraw/zinc/34/79/42/288347942.db2.gz OLXVRDMFIOJSBV-MRXNPFEDSA-N 2 2 347.463 1.449 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[N@@H+]1CC=CCC1)C1CCOCC1 ZINC000287886200 288347943 /nfs/dbraw/zinc/34/79/43/288347943.db2.gz OLXVRDMFIOJSBV-MRXNPFEDSA-N 2 2 347.463 1.449 20 0 EDADLP CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000262041156 282044407 /nfs/dbraw/zinc/04/44/07/282044407.db2.gz YNSKAVOBNMBXBM-XUVXKRRUSA-N 2 2 343.515 1.832 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000290134424 288845876 /nfs/dbraw/zinc/84/58/76/288845876.db2.gz ZRXXXNNZCQSGMX-LBPRGKRZSA-N 2 2 330.388 1.670 20 0 EDADLP CN(C)C(=O)c1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000417764871 289033958 /nfs/dbraw/zinc/03/39/58/289033958.db2.gz NAJKRTJBPFJVHJ-QGZVFWFLSA-N 2 2 345.487 1.933 20 0 EDADLP CN(C)C(=O)c1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000417764871 289033959 /nfs/dbraw/zinc/03/39/59/289033959.db2.gz NAJKRTJBPFJVHJ-QGZVFWFLSA-N 2 2 345.487 1.933 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345757458 289051626 /nfs/dbraw/zinc/05/16/26/289051626.db2.gz SZBFAATXIAABPD-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345757458 289051628 /nfs/dbraw/zinc/05/16/28/289051628.db2.gz SZBFAATXIAABPD-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CCN1C ZINC000366026184 289225994 /nfs/dbraw/zinc/22/59/94/289225994.db2.gz YPCSVSHOBWQDDE-QGZVFWFLSA-N 2 2 341.459 1.611 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000292034555 289244845 /nfs/dbraw/zinc/24/48/45/289244845.db2.gz HHRBCYSARGINQU-MSOLQXFVSA-N 2 2 331.460 1.708 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000371300781 289397252 /nfs/dbraw/zinc/39/72/52/289397252.db2.gz QVKHSVXZLZWHHG-DQEVTTJGSA-N 2 2 349.519 1.959 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000371300781 289397254 /nfs/dbraw/zinc/39/72/54/289397254.db2.gz QVKHSVXZLZWHHG-DQEVTTJGSA-N 2 2 349.519 1.959 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCc3occc3C2)CC1 ZINC000292976285 289488994 /nfs/dbraw/zinc/48/89/94/289488994.db2.gz MWYJZFWIUBBKNY-UHFFFAOYSA-N 2 2 334.464 1.763 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000339349997 290245805 /nfs/dbraw/zinc/24/58/05/290245805.db2.gz VSKPADMXINRDFB-KRWDZBQOSA-N 2 2 339.867 1.333 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000339349997 290245808 /nfs/dbraw/zinc/24/58/08/290245808.db2.gz VSKPADMXINRDFB-KRWDZBQOSA-N 2 2 339.867 1.333 20 0 EDADLP CO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124707718 294202415 /nfs/dbraw/zinc/20/24/15/294202415.db2.gz HSDJTDKVVGDYFT-PVAVHDDUSA-N 2 2 325.497 1.817 20 0 EDADLP CO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124707718 294202419 /nfs/dbraw/zinc/20/24/19/294202419.db2.gz HSDJTDKVVGDYFT-PVAVHDDUSA-N 2 2 325.497 1.817 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000246553768 294247073 /nfs/dbraw/zinc/24/70/73/294247073.db2.gz DEMIBYUAGFEGPW-AEFFLSMTSA-N 2 2 345.491 1.866 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000246553768 294247075 /nfs/dbraw/zinc/24/70/75/294247075.db2.gz DEMIBYUAGFEGPW-AEFFLSMTSA-N 2 2 345.491 1.866 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cccc4[nH+]ccn43)C2)CC1 ZINC000377707790 447306551 /nfs/dbraw/zinc/30/65/51/447306551.db2.gz VYGBWQCUTVUCKF-KRWDZBQOSA-N 3 2 327.476 1.936 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)CC1 ZINC000377707790 447306555 /nfs/dbraw/zinc/30/65/55/447306555.db2.gz VYGBWQCUTVUCKF-KRWDZBQOSA-N 3 2 327.476 1.936 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)CC(=O)OC)CC2)CC1 ZINC000422010979 447306769 /nfs/dbraw/zinc/30/67/69/447306769.db2.gz CLLHNMLGBRTXNE-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)CC(=O)OC)CC2)CC1 ZINC000422010979 447306774 /nfs/dbraw/zinc/30/67/74/447306774.db2.gz CLLHNMLGBRTXNE-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372841600 447310097 /nfs/dbraw/zinc/31/00/97/447310097.db2.gz MPDDDLMJDQKGAJ-IKGGRYGDSA-N 2 2 343.475 1.929 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372841600 447310103 /nfs/dbraw/zinc/31/01/03/447310103.db2.gz MPDDDLMJDQKGAJ-IKGGRYGDSA-N 2 2 343.475 1.929 20 0 EDADLP CC[C@H](C)[C@H](O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422017537 447310576 /nfs/dbraw/zinc/31/05/76/447310576.db2.gz JHDNYAOHWMEDMI-RDJZCZTQSA-N 2 2 325.497 1.412 20 0 EDADLP CC[C@H](C)[C@H](O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422017537 447310582 /nfs/dbraw/zinc/31/05/82/447310582.db2.gz JHDNYAOHWMEDMI-RDJZCZTQSA-N 2 2 325.497 1.412 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000377717461 447312446 /nfs/dbraw/zinc/31/24/46/447312446.db2.gz IEVCOOKERBTPTO-AWEZNQCLSA-N 2 2 347.463 1.801 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000377717461 447312452 /nfs/dbraw/zinc/31/24/52/447312452.db2.gz IEVCOOKERBTPTO-AWEZNQCLSA-N 2 2 347.463 1.801 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423352672 301201854 /nfs/dbraw/zinc/20/18/54/301201854.db2.gz AEPLUHBLPRIFIN-DGFSRKRXSA-N 2 2 325.478 1.599 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)[C@@H](C)COC)CC2)CC1 ZINC000422027169 447314272 /nfs/dbraw/zinc/31/42/72/447314272.db2.gz WBXNLRQZNGVPSF-DLBZAZTESA-N 2 2 339.524 1.924 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)[C@@H](C)COC)CC2)CC1 ZINC000422027169 447314276 /nfs/dbraw/zinc/31/42/76/447314276.db2.gz WBXNLRQZNGVPSF-DLBZAZTESA-N 2 2 339.524 1.924 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(F)ncc1F ZINC000294985932 303159558 /nfs/dbraw/zinc/15/95/58/303159558.db2.gz HEXCOQSUWYTCDC-CQSZACIVSA-N 2 2 326.391 1.392 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(F)ncc1F ZINC000294985932 303159559 /nfs/dbraw/zinc/15/95/59/303159559.db2.gz HEXCOQSUWYTCDC-CQSZACIVSA-N 2 2 326.391 1.392 20 0 EDADLP COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000295038053 303165802 /nfs/dbraw/zinc/16/58/02/303165802.db2.gz MICMDVRBSVYBLM-GOSISDBHSA-N 2 2 329.400 1.884 20 0 EDADLP COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000295038053 303165803 /nfs/dbraw/zinc/16/58/03/303165803.db2.gz MICMDVRBSVYBLM-GOSISDBHSA-N 2 2 329.400 1.884 20 0 EDADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295152072 303180557 /nfs/dbraw/zinc/18/05/57/303180557.db2.gz RGFKGZZHIJRIPJ-SJORKVTESA-N 2 2 333.476 1.864 20 0 EDADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295152072 303180559 /nfs/dbraw/zinc/18/05/59/303180559.db2.gz RGFKGZZHIJRIPJ-SJORKVTESA-N 2 2 333.476 1.864 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccn1 ZINC000295201285 303188167 /nfs/dbraw/zinc/18/81/67/303188167.db2.gz SMVAZOAFPYPHCP-UHFFFAOYSA-N 2 2 339.443 1.647 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccn1 ZINC000295201285 303188169 /nfs/dbraw/zinc/18/81/69/303188169.db2.gz SMVAZOAFPYPHCP-UHFFFAOYSA-N 2 2 339.443 1.647 20 0 EDADLP Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000296974402 303350470 /nfs/dbraw/zinc/35/04/70/303350470.db2.gz NNVGYMSUJWSRBI-HOCLYGCPSA-N 2 2 343.431 1.827 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000297035672 303356271 /nfs/dbraw/zinc/35/62/71/303356271.db2.gz RIQLBXAZNPQKTM-HNNXBMFYSA-N 2 2 331.420 1.563 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncccc1C(F)(F)F ZINC000261934003 303372776 /nfs/dbraw/zinc/37/27/76/303372776.db2.gz DBFXKDWXIIYLPN-LBPRGKRZSA-N 2 2 344.381 1.920 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncccc1C(F)(F)F ZINC000261934003 303372781 /nfs/dbraw/zinc/37/27/81/303372781.db2.gz DBFXKDWXIIYLPN-LBPRGKRZSA-N 2 2 344.381 1.920 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000297381618 303392079 /nfs/dbraw/zinc/39/20/79/303392079.db2.gz QMNVZCFQJZDBJZ-HZPDHXFCSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298734334 303550377 /nfs/dbraw/zinc/55/03/77/303550377.db2.gz KFDGIMODCNFBCI-MRXNPFEDSA-N 2 2 331.460 1.733 20 0 EDADLP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414863526 447333379 /nfs/dbraw/zinc/33/33/79/447333379.db2.gz AUFKIHQBTWBDPG-DZGCQCFKSA-N 2 2 335.448 1.392 20 0 EDADLP CC1(C)C[C@@H]([NH2+]CCCn2cc(CO)nn2)C[N@@H+]1Cc1ccccc1 ZINC000377764063 447343558 /nfs/dbraw/zinc/34/35/58/447343558.db2.gz BGFVVBJDOQNJPL-QGZVFWFLSA-N 2 2 343.475 1.803 20 0 EDADLP CC1(C)C[C@@H]([NH2+]CCCn2cc(CO)nn2)C[N@H+]1Cc1ccccc1 ZINC000377764063 447343561 /nfs/dbraw/zinc/34/35/61/447343561.db2.gz BGFVVBJDOQNJPL-QGZVFWFLSA-N 2 2 343.475 1.803 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000422997492 304882667 /nfs/dbraw/zinc/88/26/67/304882667.db2.gz BLXKOPCYZUCFCG-RDBSUJKOSA-N 2 2 346.518 1.393 20 0 EDADLP CS(=O)(=O)c1cc(C[NH2+]C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000423102011 304886274 /nfs/dbraw/zinc/88/62/74/304886274.db2.gz JMUWGSIDAQKPFQ-UHFFFAOYSA-N 2 2 336.379 1.951 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000428041980 305005240 /nfs/dbraw/zinc/00/52/40/305005240.db2.gz SYRYEVJDHTZOPM-SCTDSRPQSA-N 2 2 342.487 1.313 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000428041980 305005241 /nfs/dbraw/zinc/00/52/41/305005241.db2.gz SYRYEVJDHTZOPM-SCTDSRPQSA-N 2 2 342.487 1.313 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000428953792 305020892 /nfs/dbraw/zinc/02/08/92/305020892.db2.gz HGDGFKRAZYYCSP-OAHLLOKOSA-N 2 2 346.475 1.185 20 0 EDADLP CCC[N@H+](CC(N)=O)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000429116455 305024219 /nfs/dbraw/zinc/02/42/19/305024219.db2.gz RBOWSFHCMCGWTQ-MRXNPFEDSA-N 2 2 346.475 1.089 20 0 EDADLP CCC[N@@H+](CC(N)=O)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000429116455 305024220 /nfs/dbraw/zinc/02/42/20/305024220.db2.gz RBOWSFHCMCGWTQ-MRXNPFEDSA-N 2 2 346.475 1.089 20 0 EDADLP CC[C@H]1OCCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000429779236 305036884 /nfs/dbraw/zinc/03/68/84/305036884.db2.gz LWVZUNSUIUMRDO-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@H]1OCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000429779236 305036885 /nfs/dbraw/zinc/03/68/85/305036885.db2.gz LWVZUNSUIUMRDO-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(C)(C)C[NH3+] ZINC000430576728 305056792 /nfs/dbraw/zinc/05/67/92/305056792.db2.gz WVYFSVFVQKIDRS-UHFFFAOYSA-N 3 2 338.521 1.309 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(C)(C)C[NH3+] ZINC000430576728 305056793 /nfs/dbraw/zinc/05/67/93/305056793.db2.gz WVYFSVFVQKIDRS-UHFFFAOYSA-N 3 2 338.521 1.309 20 0 EDADLP C[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)CC(C)(C)C[NH3+] ZINC000430576728 305056794 /nfs/dbraw/zinc/05/67/94/305056794.db2.gz WVYFSVFVQKIDRS-UHFFFAOYSA-N 2 2 338.521 1.309 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)CC(C)(C)C[NH3+] ZINC000430576728 305056795 /nfs/dbraw/zinc/05/67/95/305056795.db2.gz WVYFSVFVQKIDRS-UHFFFAOYSA-N 2 2 338.521 1.309 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430596115 305057785 /nfs/dbraw/zinc/05/77/85/305057785.db2.gz ZDSSQBJIWOWLBE-MRXNPFEDSA-N 2 2 334.464 1.680 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430596115 305057786 /nfs/dbraw/zinc/05/77/86/305057786.db2.gz ZDSSQBJIWOWLBE-MRXNPFEDSA-N 2 2 334.464 1.680 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430604026 305058123 /nfs/dbraw/zinc/05/81/23/305058123.db2.gz ZYGHBUMFZSKHSP-KGLIPLIRSA-N 2 2 347.488 1.991 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430604026 305058124 /nfs/dbraw/zinc/05/81/24/305058124.db2.gz ZYGHBUMFZSKHSP-KGLIPLIRSA-N 2 2 347.488 1.991 20 0 EDADLP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430608437 305058604 /nfs/dbraw/zinc/05/86/04/305058604.db2.gz FJJZXGWRQZWTJV-QWHCGFSZSA-N 2 2 340.493 1.528 20 0 EDADLP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430608437 305058605 /nfs/dbraw/zinc/05/86/05/305058605.db2.gz FJJZXGWRQZWTJV-QWHCGFSZSA-N 2 2 340.493 1.528 20 0 EDADLP CN(C)c1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC000435576591 305142718 /nfs/dbraw/zinc/14/27/18/305142718.db2.gz BVQIKHLYQFKRSR-SJORKVTESA-N 2 2 339.443 1.632 20 0 EDADLP CN(C)c1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC000435576591 305142719 /nfs/dbraw/zinc/14/27/19/305142719.db2.gz BVQIKHLYQFKRSR-SJORKVTESA-N 2 2 339.443 1.632 20 0 EDADLP Cc1cc(C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)nn1C ZINC000435571540 305142826 /nfs/dbraw/zinc/14/28/26/305142826.db2.gz WGRIDZQOJGYENB-HNNXBMFYSA-N 2 2 342.447 1.247 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000438850470 305189976 /nfs/dbraw/zinc/18/99/76/305189976.db2.gz HRKYAYZNZIKOAI-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000438850470 305189977 /nfs/dbraw/zinc/18/99/77/305189977.db2.gz HRKYAYZNZIKOAI-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000438850470 305189978 /nfs/dbraw/zinc/18/99/78/305189978.db2.gz HRKYAYZNZIKOAI-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000438850470 305189979 /nfs/dbraw/zinc/18/99/79/305189979.db2.gz HRKYAYZNZIKOAI-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(F)cc1 ZINC000441248971 305219631 /nfs/dbraw/zinc/21/96/31/305219631.db2.gz XHNTWOSNWQWBGM-ZACQAIPSSA-N 2 2 335.423 1.948 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(F)cc1 ZINC000441248971 305219632 /nfs/dbraw/zinc/21/96/32/305219632.db2.gz XHNTWOSNWQWBGM-ZACQAIPSSA-N 2 2 335.423 1.948 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3c(n2)CCCC3)CC1 ZINC000442321886 305228621 /nfs/dbraw/zinc/22/86/21/305228621.db2.gz HXFAIIHVKQIKQR-UHFFFAOYSA-N 2 2 330.476 1.716 20 0 EDADLP C[N@H+]1CC=C(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000443047302 305233879 /nfs/dbraw/zinc/23/38/79/305233879.db2.gz MCRMEWNDONDBHI-UHFFFAOYSA-N 2 2 346.456 1.472 20 0 EDADLP C[N@@H+]1CC=C(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000443047302 305233880 /nfs/dbraw/zinc/23/38/80/305233880.db2.gz MCRMEWNDONDBHI-UHFFFAOYSA-N 2 2 346.456 1.472 20 0 EDADLP Cn1c(N2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH+]c2cccc(F)c21 ZINC000443506850 305238982 /nfs/dbraw/zinc/23/89/82/305238982.db2.gz HINVOVWZXSCRBG-UHFFFAOYSA-N 2 2 345.422 1.457 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000446818115 305270989 /nfs/dbraw/zinc/27/09/89/305270989.db2.gz OXHLJOAXOUHLEA-SJORKVTESA-N 2 2 341.459 1.676 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000446818115 305270990 /nfs/dbraw/zinc/27/09/90/305270990.db2.gz OXHLJOAXOUHLEA-SJORKVTESA-N 2 2 341.459 1.676 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000447656199 305283540 /nfs/dbraw/zinc/28/35/40/305283540.db2.gz JSRASUZEAMODHM-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000447656199 305283541 /nfs/dbraw/zinc/28/35/41/305283541.db2.gz JSRASUZEAMODHM-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000447656199 305283542 /nfs/dbraw/zinc/28/35/42/305283542.db2.gz JSRASUZEAMODHM-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000447656199 305283543 /nfs/dbraw/zinc/28/35/43/305283543.db2.gz JSRASUZEAMODHM-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP COC(=O)[C@@](C)(O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452118386 305383883 /nfs/dbraw/zinc/38/38/83/305383883.db2.gz OVRSTLBLURRVIH-ZDUSSCGKSA-N 2 2 326.359 1.259 20 0 EDADLP COC(=O)[C@@](C)(O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452118386 305383884 /nfs/dbraw/zinc/38/38/84/305383884.db2.gz OVRSTLBLURRVIH-ZDUSSCGKSA-N 2 2 326.359 1.259 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000377779411 447352925 /nfs/dbraw/zinc/35/29/25/447352925.db2.gz YEMXWXUXPRRHMV-NVXWUHKLSA-N 2 2 329.448 1.586 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000377779411 447352929 /nfs/dbraw/zinc/35/29/29/447352929.db2.gz YEMXWXUXPRRHMV-NVXWUHKLSA-N 2 2 329.448 1.586 20 0 EDADLP COc1cncc(/C=C\C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000492524708 305594406 /nfs/dbraw/zinc/59/44/06/305594406.db2.gz ZBEITGKCCIURIA-PLNGDYQASA-N 2 2 332.448 1.246 20 0 EDADLP C[NH+]1CCC(CNC(=O)/C=C\[C@@H]2CCOC2)([NH+]2CCCCC2)CC1 ZINC000493783300 305627114 /nfs/dbraw/zinc/62/71/14/305627114.db2.gz HKKZVIZYKBNKNH-KEGWNNHHSA-N 2 2 335.492 1.646 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000493657250 447359825 /nfs/dbraw/zinc/35/98/25/447359825.db2.gz IKSUIFVXLUIJEW-XAHAPAGGSA-N 2 2 331.460 1.563 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000660739572 453556286 /nfs/dbraw/zinc/55/62/86/453556286.db2.gz HCLLFAQHNZGUNY-ZIAGYGMSSA-N 2 2 325.419 1.504 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000660739572 453556290 /nfs/dbraw/zinc/55/62/90/453556290.db2.gz HCLLFAQHNZGUNY-ZIAGYGMSSA-N 2 2 325.419 1.504 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000660739572 453556295 /nfs/dbraw/zinc/55/62/95/453556295.db2.gz HCLLFAQHNZGUNY-ZIAGYGMSSA-N 2 2 325.419 1.504 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000660739572 453556300 /nfs/dbraw/zinc/55/63/00/453556300.db2.gz HCLLFAQHNZGUNY-ZIAGYGMSSA-N 2 2 325.419 1.504 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000377808128 447365868 /nfs/dbraw/zinc/36/58/68/447365868.db2.gz WPDVDRVRMGYRSU-DOTOQJQBSA-N 2 2 334.464 1.570 20 0 EDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nnnn2C)CC1 ZINC000537109530 306025991 /nfs/dbraw/zinc/02/59/91/306025991.db2.gz QJNGJXGQPDBVRO-CYBMUJFWSA-N 2 2 347.442 1.342 20 0 EDADLP COC(=O)c1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000540318054 306039322 /nfs/dbraw/zinc/03/93/22/306039322.db2.gz FGIQAIZOICEBBE-UHFFFAOYSA-N 2 2 337.464 1.832 20 0 EDADLP COC(=O)c1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000540318054 306039323 /nfs/dbraw/zinc/03/93/23/306039323.db2.gz FGIQAIZOICEBBE-UHFFFAOYSA-N 2 2 337.464 1.832 20 0 EDADLP COC(=O)c1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000540318054 306039324 /nfs/dbraw/zinc/03/93/24/306039324.db2.gz FGIQAIZOICEBBE-UHFFFAOYSA-N 2 2 337.464 1.832 20 0 EDADLP COC(=O)c1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000540318054 306039325 /nfs/dbraw/zinc/03/93/25/306039325.db2.gz FGIQAIZOICEBBE-UHFFFAOYSA-N 2 2 337.464 1.832 20 0 EDADLP CN(CCC(=O)NCCc1cn2c([nH+]1)CCCC2)c1cc[nH+]cc1 ZINC000541858179 306048204 /nfs/dbraw/zinc/04/82/04/306048204.db2.gz YLFGHBXHCJHBLQ-UHFFFAOYSA-N 2 2 327.432 1.800 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542161801 306051781 /nfs/dbraw/zinc/05/17/81/306051781.db2.gz ZEWZRDMPAMVUHU-DOMZBBRYSA-N 2 2 330.436 1.304 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000542471589 306054278 /nfs/dbraw/zinc/05/42/78/306054278.db2.gz BHNYCJPUFCGVCZ-QGZVFWFLSA-N 2 2 330.407 1.883 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000542471589 306054279 /nfs/dbraw/zinc/05/42/79/306054279.db2.gz BHNYCJPUFCGVCZ-QGZVFWFLSA-N 2 2 330.407 1.883 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C12CCC2 ZINC000544015577 306071854 /nfs/dbraw/zinc/07/18/54/306071854.db2.gz JDRPXAGFVJNTJJ-HRCADAONSA-N 2 2 346.475 1.848 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000548825853 306139086 /nfs/dbraw/zinc/13/90/86/306139086.db2.gz CXJABAQHCDWGHJ-IEBWSBKVSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000548825853 306139087 /nfs/dbraw/zinc/13/90/87/306139087.db2.gz CXJABAQHCDWGHJ-IEBWSBKVSA-N 2 2 345.487 1.826 20 0 EDADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cn2ccccc2n1 ZINC000551266754 306156883 /nfs/dbraw/zinc/15/68/83/306156883.db2.gz DQLBFVRINIPSRN-QGZVFWFLSA-N 2 2 345.491 1.375 20 0 EDADLP COc1ccccc1COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000555877088 306206647 /nfs/dbraw/zinc/20/66/47/306206647.db2.gz ASDCUZWDNNDYPC-KSZLIROESA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000555877088 306206648 /nfs/dbraw/zinc/20/66/48/306206648.db2.gz ASDCUZWDNNDYPC-KSZLIROESA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000555877088 306206649 /nfs/dbraw/zinc/20/66/49/306206649.db2.gz ASDCUZWDNNDYPC-KSZLIROESA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000555877088 306206650 /nfs/dbraw/zinc/20/66/50/306206650.db2.gz ASDCUZWDNNDYPC-KSZLIROESA-N 2 2 334.460 1.741 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000557135688 306224726 /nfs/dbraw/zinc/22/47/26/306224726.db2.gz KZOWTAXPBBYFCL-CZUORRHYSA-N 2 2 345.422 1.947 20 0 EDADLP Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000557204774 306226309 /nfs/dbraw/zinc/22/63/09/306226309.db2.gz FTVSRVWXBNWMOQ-CQSZACIVSA-N 2 2 344.381 1.798 20 0 EDADLP Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000557204774 306226310 /nfs/dbraw/zinc/22/63/10/306226310.db2.gz FTVSRVWXBNWMOQ-CQSZACIVSA-N 2 2 344.381 1.798 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000557218795 306226716 /nfs/dbraw/zinc/22/67/16/306226716.db2.gz BROISDKVRXXJFY-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000377849626 447378063 /nfs/dbraw/zinc/37/80/63/447378063.db2.gz IPIMEWGCTRXMNP-MRXNPFEDSA-N 2 2 327.432 1.658 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000377849626 447378069 /nfs/dbraw/zinc/37/80/69/447378069.db2.gz IPIMEWGCTRXMNP-MRXNPFEDSA-N 2 2 327.432 1.658 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccncc2OCC(F)F)n1C ZINC000419732215 447379366 /nfs/dbraw/zinc/37/93/66/447379366.db2.gz SDLBFRYVWABFDL-UHFFFAOYSA-N 2 2 325.363 1.815 20 0 EDADLP CCc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000657071118 453661111 /nfs/dbraw/zinc/66/11/11/453661111.db2.gz FTADLPBIRAOEGR-ZDUSSCGKSA-N 2 2 347.550 1.861 20 0 EDADLP CCc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000657071118 453661114 /nfs/dbraw/zinc/66/11/14/453661114.db2.gz FTADLPBIRAOEGR-ZDUSSCGKSA-N 2 2 347.550 1.861 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415171592 447396198 /nfs/dbraw/zinc/39/61/98/447396198.db2.gz RMFYNIWDDPWSQS-ZFWWWQNUSA-N 2 2 347.463 1.619 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000493812991 447401353 /nfs/dbraw/zinc/40/13/53/447401353.db2.gz CGDKYFXSPDILDX-GFUIURDCSA-N 2 2 349.435 1.090 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000493812991 447401355 /nfs/dbraw/zinc/40/13/55/447401355.db2.gz CGDKYFXSPDILDX-GFUIURDCSA-N 2 2 349.435 1.090 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)CSC)CC2)CC1 ZINC000422222425 447409482 /nfs/dbraw/zinc/40/94/82/447409482.db2.gz AKSMHIBBTWTSDB-OAHLLOKOSA-N 2 2 342.553 1.940 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)CSC)CC2)CC1 ZINC000422222425 447409488 /nfs/dbraw/zinc/40/94/88/447409488.db2.gz AKSMHIBBTWTSDB-OAHLLOKOSA-N 2 2 342.553 1.940 20 0 EDADLP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000080498037 441175006 /nfs/dbraw/zinc/17/50/06/441175006.db2.gz WBAHYOCQFCHPED-ZWKOTPCHSA-N 2 2 328.460 1.600 20 0 EDADLP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000080498037 441175010 /nfs/dbraw/zinc/17/50/10/441175010.db2.gz WBAHYOCQFCHPED-ZWKOTPCHSA-N 2 2 328.460 1.600 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000105087809 441232644 /nfs/dbraw/zinc/23/26/44/441232644.db2.gz XXZQTWBURISHRB-OAHLLOKOSA-N 2 2 333.480 1.810 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000105087809 441232647 /nfs/dbraw/zinc/23/26/47/441232647.db2.gz XXZQTWBURISHRB-OAHLLOKOSA-N 2 2 333.480 1.810 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[NH+](C2CC2)CC1 ZINC000105115161 441234880 /nfs/dbraw/zinc/23/48/80/441234880.db2.gz INZWFZUHJXCXGY-UHFFFAOYSA-N 2 2 329.448 1.671 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)CCCn3cc[nH+]c3)cn2)CC1 ZINC000104227778 441191848 /nfs/dbraw/zinc/19/18/48/441191848.db2.gz QREZEEALVSPCKU-UHFFFAOYSA-N 2 2 328.420 1.449 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104717145 441200969 /nfs/dbraw/zinc/20/09/69/441200969.db2.gz RVKITYUNSBMIJP-AWEZNQCLSA-N 2 2 334.464 1.906 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968526 441214043 /nfs/dbraw/zinc/21/40/43/441214043.db2.gz OBLXVBYJDWCXIM-UHFFFAOYSA-N 2 2 348.447 1.004 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968526 441214044 /nfs/dbraw/zinc/21/40/44/441214044.db2.gz OBLXVBYJDWCXIM-UHFFFAOYSA-N 2 2 348.447 1.004 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000081257324 441245360 /nfs/dbraw/zinc/24/53/60/441245360.db2.gz YAZXNAXCHINHTB-INIZCTEOSA-N 2 2 341.459 1.449 20 0 EDADLP CC[NH+]1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000047980704 441245730 /nfs/dbraw/zinc/24/57/30/441245730.db2.gz YDQDJQXOWZALNR-UHFFFAOYSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000073572233 441327268 /nfs/dbraw/zinc/32/72/68/441327268.db2.gz QZUFMHLAXCEQPO-HZPDHXFCSA-N 2 2 331.460 1.683 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](CCO)CC3CC3)CC2)c1 ZINC000064516325 441382598 /nfs/dbraw/zinc/38/25/98/441382598.db2.gz GBNHZJPQROGLRI-UHFFFAOYSA-N 2 2 345.487 1.344 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](CCO)CC3CC3)CC2)c1 ZINC000064516325 441382601 /nfs/dbraw/zinc/38/26/01/441382601.db2.gz GBNHZJPQROGLRI-UHFFFAOYSA-N 2 2 345.487 1.344 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000107369044 441412816 /nfs/dbraw/zinc/41/28/16/441412816.db2.gz RNYMHXRNZZQMKA-FGTMMUONSA-N 2 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000107369044 441412819 /nfs/dbraw/zinc/41/28/19/441412819.db2.gz RNYMHXRNZZQMKA-FGTMMUONSA-N 2 2 336.524 1.203 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)O1 ZINC000065423107 441431322 /nfs/dbraw/zinc/43/13/22/441431322.db2.gz AJLDOUNPHUEMCY-INIZCTEOSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)O1 ZINC000065423107 441431325 /nfs/dbraw/zinc/43/13/25/441431325.db2.gz AJLDOUNPHUEMCY-INIZCTEOSA-N 2 2 346.475 1.620 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(F)cc1F ZINC000087355373 441488852 /nfs/dbraw/zinc/48/88/52/441488852.db2.gz AZAFECDBKOLIEV-UHFFFAOYSA-N 2 2 339.430 1.992 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(F)cc1F ZINC000087355373 441488855 /nfs/dbraw/zinc/48/88/55/441488855.db2.gz AZAFECDBKOLIEV-UHFFFAOYSA-N 2 2 339.430 1.992 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000052529718 441457082 /nfs/dbraw/zinc/45/70/82/441457082.db2.gz JGHFUQTYVSGMCF-INIZCTEOSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000052529718 441457085 /nfs/dbraw/zinc/45/70/85/441457085.db2.gz JGHFUQTYVSGMCF-INIZCTEOSA-N 2 2 331.464 1.834 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000086247397 441460683 /nfs/dbraw/zinc/46/06/83/441460683.db2.gz BHRHQDNKYUCAES-GOSISDBHSA-N 2 2 331.460 1.911 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000086247397 441460685 /nfs/dbraw/zinc/46/06/85/441460685.db2.gz BHRHQDNKYUCAES-GOSISDBHSA-N 2 2 331.460 1.911 20 0 EDADLP CN(CC(F)F)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074768293 441465609 /nfs/dbraw/zinc/46/56/09/441465609.db2.gz XSBUNWJZHKWLKC-UHFFFAOYSA-N 2 2 332.439 1.843 20 0 EDADLP CCOC(=O)c1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000089269398 441534501 /nfs/dbraw/zinc/53/45/01/441534501.db2.gz VDZWWUXNUNXNJZ-UHFFFAOYSA-N 2 2 337.464 1.914 20 0 EDADLP CCOC(=O)c1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000089269398 441534505 /nfs/dbraw/zinc/53/45/05/441534505.db2.gz VDZWWUXNUNXNJZ-UHFFFAOYSA-N 2 2 337.464 1.914 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000089269398 441534508 /nfs/dbraw/zinc/53/45/08/441534508.db2.gz VDZWWUXNUNXNJZ-UHFFFAOYSA-N 2 2 337.464 1.914 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000089269398 441534513 /nfs/dbraw/zinc/53/45/13/441534513.db2.gz VDZWWUXNUNXNJZ-UHFFFAOYSA-N 2 2 337.464 1.914 20 0 EDADLP C[C@H]1CC[C@H](CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000075199997 441508442 /nfs/dbraw/zinc/50/84/42/441508442.db2.gz HYALODJTVCNGBY-DOTOQJQBSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@H]1CC[C@H](CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000075199997 441508444 /nfs/dbraw/zinc/50/84/44/441508444.db2.gz HYALODJTVCNGBY-DOTOQJQBSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000032758391 441569853 /nfs/dbraw/zinc/56/98/53/441569853.db2.gz GHRKPCTXJSRGRF-SJLPKXTDSA-N 2 2 331.460 1.349 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000032758391 441569857 /nfs/dbraw/zinc/56/98/57/441569857.db2.gz GHRKPCTXJSRGRF-SJLPKXTDSA-N 2 2 331.460 1.349 20 0 EDADLP CC(C)N(C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1)C1CCCC1 ZINC000089926599 441596355 /nfs/dbraw/zinc/59/63/55/441596355.db2.gz QYPQSDHTKIAZJE-UHFFFAOYSA-N 2 2 333.480 1.722 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000090047398 441617703 /nfs/dbraw/zinc/61/77/03/441617703.db2.gz DLPRYUTZYIFVIT-STQMWFEESA-N 2 2 345.285 1.735 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C)cc2F)CC1 ZINC000067439975 441641297 /nfs/dbraw/zinc/64/12/97/441641297.db2.gz SCMUWKLBSHDJFK-HNNXBMFYSA-N 2 2 348.466 1.744 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)cc2F)CC1 ZINC000067439975 441641299 /nfs/dbraw/zinc/64/12/99/441641299.db2.gz SCMUWKLBSHDJFK-HNNXBMFYSA-N 2 2 348.466 1.744 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000090769902 441642622 /nfs/dbraw/zinc/64/26/22/441642622.db2.gz IFAAKUHFPOOFGQ-MQYQWHSLSA-N 2 2 346.518 1.201 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000090769902 441642627 /nfs/dbraw/zinc/64/26/27/441642627.db2.gz IFAAKUHFPOOFGQ-MQYQWHSLSA-N 2 2 346.518 1.201 20 0 EDADLP CCOC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114453703 441657247 /nfs/dbraw/zinc/65/72/47/441657247.db2.gz DMRCKHKIMJQBBT-UHFFFAOYSA-N 2 2 339.480 1.251 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076599750 441663220 /nfs/dbraw/zinc/66/32/20/441663220.db2.gz IIIBWXHSZVLHJL-CQSZACIVSA-N 2 2 343.431 1.131 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000076898780 441692681 /nfs/dbraw/zinc/69/26/81/441692681.db2.gz AMBKETKVFBGNLM-KRWDZBQOSA-N 2 2 333.476 1.724 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000121492984 441716544 /nfs/dbraw/zinc/71/65/44/441716544.db2.gz WMMQRRIAAQAAFK-QGZVFWFLSA-N 3 2 349.523 1.214 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000121492984 441716550 /nfs/dbraw/zinc/71/65/50/441716550.db2.gz WMMQRRIAAQAAFK-QGZVFWFLSA-N 3 2 349.523 1.214 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000067705043 441670729 /nfs/dbraw/zinc/67/07/29/441670729.db2.gz GDNXNXQVHORWTR-AEFFLSMTSA-N 2 2 348.491 1.618 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000158502412 441740948 /nfs/dbraw/zinc/74/09/48/441740948.db2.gz AWVWCYFABKFQDB-YJBOKZPZSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000158502412 441740963 /nfs/dbraw/zinc/74/09/63/441740963.db2.gz AWVWCYFABKFQDB-YJBOKZPZSA-N 3 2 334.508 1.146 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000121953141 441818566 /nfs/dbraw/zinc/81/85/66/441818566.db2.gz YVOGVFKNTUASQB-MRXNPFEDSA-N 2 2 346.475 1.065 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000121953141 441818570 /nfs/dbraw/zinc/81/85/70/441818570.db2.gz YVOGVFKNTUASQB-MRXNPFEDSA-N 2 2 346.475 1.065 20 0 EDADLP CCc1nnc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)[nH]1 ZINC000159194009 441793319 /nfs/dbraw/zinc/79/33/19/441793319.db2.gz AMCBEWRTABPZFR-UHFFFAOYSA-N 2 2 329.452 1.875 20 0 EDADLP CCc1nnc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)[nH]1 ZINC000159194009 441793326 /nfs/dbraw/zinc/79/33/26/441793326.db2.gz AMCBEWRTABPZFR-UHFFFAOYSA-N 2 2 329.452 1.875 20 0 EDADLP CCn1cnnc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092370314 441794148 /nfs/dbraw/zinc/79/41/48/441794148.db2.gz BBECOXATGGAYAD-UHFFFAOYSA-N 2 2 348.882 1.993 20 0 EDADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000173648959 441814651 /nfs/dbraw/zinc/81/46/51/441814651.db2.gz ODZHSSJLVOUSCO-KRWDZBQOSA-N 2 2 332.448 1.016 20 0 EDADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000173648959 441814657 /nfs/dbraw/zinc/81/46/57/441814657.db2.gz ODZHSSJLVOUSCO-KRWDZBQOSA-N 2 2 332.448 1.016 20 0 EDADLP CCn1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000173952206 441869168 /nfs/dbraw/zinc/86/91/68/441869168.db2.gz QWXKQZIITBDPGB-UHFFFAOYSA-N 2 2 348.495 1.975 20 0 EDADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC(=O)NCC(F)(F)F ZINC000173959756 441869840 /nfs/dbraw/zinc/86/98/40/441869840.db2.gz GELGKOYIXSFNRQ-LLVKDONJSA-N 2 2 338.374 1.181 20 0 EDADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC(=O)NCC(F)(F)F ZINC000173959756 441869844 /nfs/dbraw/zinc/86/98/44/441869844.db2.gz GELGKOYIXSFNRQ-LLVKDONJSA-N 2 2 338.374 1.181 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC(=O)NCC(F)(F)F ZINC000173959756 441869849 /nfs/dbraw/zinc/86/98/49/441869849.db2.gz GELGKOYIXSFNRQ-LLVKDONJSA-N 2 2 338.374 1.181 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC(=O)NCC(F)(F)F ZINC000173959756 441869853 /nfs/dbraw/zinc/86/98/53/441869853.db2.gz GELGKOYIXSFNRQ-LLVKDONJSA-N 2 2 338.374 1.181 20 0 EDADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000092748411 441824578 /nfs/dbraw/zinc/82/45/78/441824578.db2.gz BJVLEZSGVKZQQZ-KXBFYZLASA-N 2 2 332.492 1.262 20 0 EDADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000092748411 441824583 /nfs/dbraw/zinc/82/45/83/441824583.db2.gz BJVLEZSGVKZQQZ-KXBFYZLASA-N 2 2 332.492 1.262 20 0 EDADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078146824 441903884 /nfs/dbraw/zinc/90/38/84/441903884.db2.gz BUJLKLFIQOKONN-SJLPKXTDSA-N 2 2 342.443 1.679 20 0 EDADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078146824 441903886 /nfs/dbraw/zinc/90/38/86/441903886.db2.gz BUJLKLFIQOKONN-SJLPKXTDSA-N 2 2 342.443 1.679 20 0 EDADLP O[C@H](C[NH2+]CCC[NH+]1CCOCC1)COc1cccc2[nH]ccc21 ZINC000147348022 441906767 /nfs/dbraw/zinc/90/67/67/441906767.db2.gz PMDAFSHXWNNJOH-OAHLLOKOSA-N 2 2 333.432 1.220 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)c(C)n2n1 ZINC000093400485 441886494 /nfs/dbraw/zinc/88/64/94/441886494.db2.gz YRIRRILYCMNEEM-AWEZNQCLSA-N 2 2 331.464 1.844 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1C ZINC000174692023 441954050 /nfs/dbraw/zinc/95/40/50/441954050.db2.gz QPLYOSSFCMQXHX-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1C ZINC000174692023 441954054 /nfs/dbraw/zinc/95/40/54/441954054.db2.gz QPLYOSSFCMQXHX-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000174692023 441954059 /nfs/dbraw/zinc/95/40/59/441954059.db2.gz QPLYOSSFCMQXHX-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000174692023 441954065 /nfs/dbraw/zinc/95/40/65/441954065.db2.gz QPLYOSSFCMQXHX-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC ZINC000150840602 441961386 /nfs/dbraw/zinc/96/13/86/441961386.db2.gz CNGNNERNPSZKGX-INMHGKMJSA-N 2 2 339.480 1.108 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC ZINC000150840602 441961387 /nfs/dbraw/zinc/96/13/87/441961387.db2.gz CNGNNERNPSZKGX-INMHGKMJSA-N 2 2 339.480 1.108 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000175115227 442005554 /nfs/dbraw/zinc/00/55/54/442005554.db2.gz HYPUQHKYASJEPS-IRXDYDNUSA-N 2 2 345.491 1.145 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000175115227 442005560 /nfs/dbraw/zinc/00/55/60/442005560.db2.gz HYPUQHKYASJEPS-IRXDYDNUSA-N 2 2 345.491 1.145 20 0 EDADLP C[C@@H]1OCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000125346655 442012779 /nfs/dbraw/zinc/01/27/79/442012779.db2.gz IVHRJMHXJQQCIA-RRQGHBQHSA-N 2 2 328.416 1.095 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161898575 442041356 /nfs/dbraw/zinc/04/13/56/442041356.db2.gz GAQRFQNFAVQPHC-MRXNPFEDSA-N 3 2 335.496 1.178 20 0 EDADLP C/C=C/c1ccc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000162398714 442090156 /nfs/dbraw/zinc/09/01/56/442090156.db2.gz DZSCDOJFLTUPLO-MBVDDHJVSA-N 2 2 333.432 1.208 20 0 EDADLP C/C=C/c1ccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000162398714 442090159 /nfs/dbraw/zinc/09/01/59/442090159.db2.gz DZSCDOJFLTUPLO-MBVDDHJVSA-N 2 2 333.432 1.208 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/c2ccc(Cl)nc2)CC1 ZINC000120415480 442067467 /nfs/dbraw/zinc/06/74/67/442067467.db2.gz FHYUHBVGNNIFQC-GQCTYLIASA-N 2 2 336.867 1.890 20 0 EDADLP C[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C[NH+]1CCCC1 ZINC000080010251 442107278 /nfs/dbraw/zinc/10/72/78/442107278.db2.gz NZYMBCMDNVXHOO-HNNXBMFYSA-N 2 2 333.480 1.793 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000152148648 442171653 /nfs/dbraw/zinc/17/16/53/442171653.db2.gz YXHLVSLQSLUJGK-OAGGEKHMSA-N 2 2 335.452 1.196 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[NH2+]CC1CC1)CC2 ZINC000166530453 442217028 /nfs/dbraw/zinc/21/70/28/442217028.db2.gz FKQYNJRPUGJNRR-UHFFFAOYSA-N 2 2 347.459 1.178 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[NH2+]CC1CC1)CC2 ZINC000166530453 442217030 /nfs/dbraw/zinc/21/70/30/442217030.db2.gz FKQYNJRPUGJNRR-UHFFFAOYSA-N 2 2 347.459 1.178 20 0 EDADLP CC[NH+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000127711359 442221009 /nfs/dbraw/zinc/22/10/09/442221009.db2.gz VKSJJKVPUSVIAF-UHFFFAOYSA-N 2 2 328.420 1.423 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2OC)CC[N@@H+]1CCOC ZINC000168062338 442223018 /nfs/dbraw/zinc/22/30/18/442223018.db2.gz LJIBMLGWKVAMCW-RHSMWYFYSA-N 2 2 335.448 1.264 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2OC)CC[N@H+]1CCOC ZINC000168062338 442223019 /nfs/dbraw/zinc/22/30/19/442223019.db2.gz LJIBMLGWKVAMCW-RHSMWYFYSA-N 2 2 335.448 1.264 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000176610106 442240051 /nfs/dbraw/zinc/24/00/51/442240051.db2.gz ASPAPFKIXYHTTA-ZWKOTPCHSA-N 2 2 345.491 1.782 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000128567785 442275208 /nfs/dbraw/zinc/27/52/08/442275208.db2.gz FPQQQIYEBZYUBF-HNNXBMFYSA-N 2 2 330.363 1.676 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000128567785 442275211 /nfs/dbraw/zinc/27/52/11/442275211.db2.gz FPQQQIYEBZYUBF-HNNXBMFYSA-N 2 2 330.363 1.676 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000128651112 442280042 /nfs/dbraw/zinc/28/00/42/442280042.db2.gz RDANIYHFQJIWEP-IAGOWNOFSA-N 3 2 345.491 1.193 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000128651112 442280044 /nfs/dbraw/zinc/28/00/44/442280044.db2.gz RDANIYHFQJIWEP-IAGOWNOFSA-N 3 2 345.491 1.193 20 0 EDADLP CC(C)(CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[NH+]1CCOCC1 ZINC000153507921 442286624 /nfs/dbraw/zinc/28/66/24/442286624.db2.gz VYXZVJAJEFKKQP-MRXNPFEDSA-N 2 2 348.447 1.355 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171064085 442305508 /nfs/dbraw/zinc/30/55/08/442305508.db2.gz AUTJFKFEPUIFLV-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171064085 442305511 /nfs/dbraw/zinc/30/55/11/442305511.db2.gz AUTJFKFEPUIFLV-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP Cc1ccc(OCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000177130975 442302259 /nfs/dbraw/zinc/30/22/59/442302259.db2.gz YENXQKJJNCDCOG-UHFFFAOYSA-N 2 2 333.476 1.824 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000171197580 442326348 /nfs/dbraw/zinc/32/63/48/442326348.db2.gz OJAWIVWOMRLSMR-UHFFFAOYSA-N 2 2 349.479 1.684 20 0 EDADLP COCC(C)(C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000171203076 442327323 /nfs/dbraw/zinc/32/73/23/442327323.db2.gz VRQFHRRFSCEXTC-UHFFFAOYSA-N 2 2 335.448 1.472 20 0 EDADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3CN3CCOCC3)cn2)c[nH+]1 ZINC000177348593 442330576 /nfs/dbraw/zinc/33/05/76/442330576.db2.gz ICQPZZYIBWCPDM-KRWDZBQOSA-N 2 2 327.432 1.564 20 0 EDADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)cn2)c[nH+]1 ZINC000177348593 442330578 /nfs/dbraw/zinc/33/05/78/442330578.db2.gz ICQPZZYIBWCPDM-KRWDZBQOSA-N 2 2 327.432 1.564 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)N2CC[NH+](C)CC2)c1C ZINC000171283982 442338083 /nfs/dbraw/zinc/33/80/83/442338083.db2.gz WDINKFZQMZSYBU-OAHLLOKOSA-N 2 2 334.464 1.301 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000177461769 442343973 /nfs/dbraw/zinc/34/39/73/442343973.db2.gz XYVCLUVKDGBNOB-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000154570596 442346062 /nfs/dbraw/zinc/34/60/62/442346062.db2.gz CNZIVRABIATXCC-WMZOPIPTSA-N 2 2 349.475 1.088 20 0 EDADLP CCOC(=O)CCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131237122 442367902 /nfs/dbraw/zinc/36/79/02/442367902.db2.gz RWRFVDYNFRWNKE-INIZCTEOSA-N 2 2 339.480 1.524 20 0 EDADLP CCOC(=O)CCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131237122 442367904 /nfs/dbraw/zinc/36/79/04/442367904.db2.gz RWRFVDYNFRWNKE-INIZCTEOSA-N 2 2 339.480 1.524 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000171765659 442379592 /nfs/dbraw/zinc/37/95/92/442379592.db2.gz IIRFDFJSXSDUHM-HNNXBMFYSA-N 2 2 347.459 1.536 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000171765659 442379593 /nfs/dbraw/zinc/37/95/93/442379593.db2.gz IIRFDFJSXSDUHM-HNNXBMFYSA-N 2 2 347.459 1.536 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCSCC1 ZINC000132478099 442394321 /nfs/dbraw/zinc/39/43/21/442394321.db2.gz ZRHNWJVXVOURPV-ZBFHGGJFSA-N 2 2 325.522 1.804 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1CCSCC1 ZINC000132478099 442394324 /nfs/dbraw/zinc/39/43/24/442394324.db2.gz ZRHNWJVXVOURPV-ZBFHGGJFSA-N 2 2 325.522 1.804 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC2CC[NH+](CC3CC3)CC2)nc[nH+]1 ZINC000171543332 442355187 /nfs/dbraw/zinc/35/51/87/442355187.db2.gz VYYZHCSWHUTCJJ-MRXNPFEDSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC2CC[NH+](CC3CC3)CC2)[nH+]cn1 ZINC000171543332 442355191 /nfs/dbraw/zinc/35/51/91/442355191.db2.gz VYYZHCSWHUTCJJ-MRXNPFEDSA-N 2 2 331.464 1.724 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000130912512 442359906 /nfs/dbraw/zinc/35/99/06/442359906.db2.gz KYPWPZCVRZYTJC-OAHLLOKOSA-N 2 2 347.459 1.348 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178821398 442494227 /nfs/dbraw/zinc/49/42/27/442494227.db2.gz BGXXWSPGCNBFGJ-INIZCTEOSA-N 2 2 332.448 1.016 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000172462749 442468211 /nfs/dbraw/zinc/46/82/11/442468211.db2.gz ILFSXLTWDSMWAI-HUUCEWRRSA-N 2 2 335.452 1.123 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000172462749 442468215 /nfs/dbraw/zinc/46/82/15/442468215.db2.gz ILFSXLTWDSMWAI-HUUCEWRRSA-N 2 2 335.452 1.123 20 0 EDADLP Cc1nc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc[nH+]1 ZINC000172756756 442534980 /nfs/dbraw/zinc/53/49/80/442534980.db2.gz SBVKUQDVYXTOAW-MRXNPFEDSA-N 2 2 328.416 1.347 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156959158 442537106 /nfs/dbraw/zinc/53/71/06/442537106.db2.gz YALVGWCMRSGCNM-WBVHZDCISA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156959158 442537109 /nfs/dbraw/zinc/53/71/09/442537109.db2.gz YALVGWCMRSGCNM-WBVHZDCISA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156959158 442537113 /nfs/dbraw/zinc/53/71/13/442537113.db2.gz YALVGWCMRSGCNM-WBVHZDCISA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156959158 442537114 /nfs/dbraw/zinc/53/71/14/442537114.db2.gz YALVGWCMRSGCNM-WBVHZDCISA-N 2 2 346.475 1.817 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157049930 442545192 /nfs/dbraw/zinc/54/51/92/442545192.db2.gz YCGRMBDMRPYRPD-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000157049930 442545199 /nfs/dbraw/zinc/54/51/99/442545199.db2.gz YCGRMBDMRPYRPD-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000157049930 442545203 /nfs/dbraw/zinc/54/52/03/442545203.db2.gz YCGRMBDMRPYRPD-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCOCC2)CC[NH+]1Cc1ccccc1 ZINC000157049930 442545208 /nfs/dbraw/zinc/54/52/08/442545208.db2.gz YCGRMBDMRPYRPD-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc(=O)[nH]1 ZINC000180476644 442608380 /nfs/dbraw/zinc/60/83/80/442608380.db2.gz FCWCPZHYZOKOLN-UHFFFAOYSA-N 2 2 346.475 1.776 20 0 EDADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCCc1[nH]cc[nH+]1 ZINC000172989939 442579629 /nfs/dbraw/zinc/57/96/29/442579629.db2.gz PNRPDSCOVBQUDE-UHFFFAOYSA-N 2 2 341.459 1.671 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000192125414 442598665 /nfs/dbraw/zinc/59/86/65/442598665.db2.gz AVFRJYBBWQZTOL-DOTOQJQBSA-N 2 2 339.386 1.158 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000186575881 442564988 /nfs/dbraw/zinc/56/49/88/442564988.db2.gz ICNPCPFTOWRQNA-GOSISDBHSA-N 3 2 345.535 1.662 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187015018 442645397 /nfs/dbraw/zinc/64/53/97/442645397.db2.gz FPCBAJSWESHXOO-HIFRSBDPSA-N 2 2 338.452 1.648 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187015018 442645401 /nfs/dbraw/zinc/64/54/01/442645401.db2.gz FPCBAJSWESHXOO-HIFRSBDPSA-N 2 2 338.452 1.648 20 0 EDADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000192193176 442610965 /nfs/dbraw/zinc/61/09/65/442610965.db2.gz XFLKWICKTRQFJE-MRXNPFEDSA-N 2 2 348.516 1.948 20 0 EDADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000192193176 442610970 /nfs/dbraw/zinc/61/09/70/442610970.db2.gz XFLKWICKTRQFJE-MRXNPFEDSA-N 2 2 348.516 1.948 20 0 EDADLP C[C@H](c1cccnc1)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179297676 442615478 /nfs/dbraw/zinc/61/54/78/442615478.db2.gz GSSJZHBCAAELGM-OAHLLOKOSA-N 2 2 333.480 1.810 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000179304172 442617235 /nfs/dbraw/zinc/61/72/35/442617235.db2.gz WOAGLQRFMRXOLK-AWEZNQCLSA-N 2 2 335.448 1.385 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000179304172 442617241 /nfs/dbraw/zinc/61/72/41/442617241.db2.gz WOAGLQRFMRXOLK-AWEZNQCLSA-N 2 2 335.448 1.385 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000173189294 442620843 /nfs/dbraw/zinc/62/08/43/442620843.db2.gz BCSVRIUWAIFSSO-CABCVRRESA-N 2 2 337.468 1.448 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000181028873 442676506 /nfs/dbraw/zinc/67/65/06/442676506.db2.gz UZWBBJMXQNKNSK-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000181035077 442676894 /nfs/dbraw/zinc/67/68/94/442676894.db2.gz PQQAVNUCOXGDCX-MJGOQNOKSA-N 2 2 345.487 1.887 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181373069 442693578 /nfs/dbraw/zinc/69/35/78/442693578.db2.gz RWFZUOBGDYCJDI-OAHLLOKOSA-N 2 2 330.436 1.303 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000188209234 442724886 /nfs/dbraw/zinc/72/48/86/442724886.db2.gz ICLVDESMBWLSOT-QZTJIDSGSA-N 2 2 349.450 1.800 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1(C)C ZINC000188111223 442712865 /nfs/dbraw/zinc/71/28/65/442712865.db2.gz ZYPQMPVMGJNFOC-KBXCAEBGSA-N 2 2 343.431 1.416 20 0 EDADLP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000193637966 442762761 /nfs/dbraw/zinc/76/27/61/442762761.db2.gz QLACLQHHDDLBMM-BGYRXZFFSA-N 2 2 341.499 1.961 20 0 EDADLP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000193637966 442762762 /nfs/dbraw/zinc/76/27/62/442762762.db2.gz QLACLQHHDDLBMM-BGYRXZFFSA-N 2 2 341.499 1.961 20 0 EDADLP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000193637966 442762764 /nfs/dbraw/zinc/76/27/64/442762764.db2.gz QLACLQHHDDLBMM-BGYRXZFFSA-N 2 2 341.499 1.961 20 0 EDADLP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCC(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000193637966 442762766 /nfs/dbraw/zinc/76/27/66/442762766.db2.gz QLACLQHHDDLBMM-BGYRXZFFSA-N 2 2 341.499 1.961 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000246363750 442776697 /nfs/dbraw/zinc/77/66/97/442776697.db2.gz FOCKXIRRKTWQCY-IKGGRYGDSA-N 2 2 340.512 1.515 20 0 EDADLP CCO[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000625501113 450396268 /nfs/dbraw/zinc/39/62/68/450396268.db2.gz CQDYOSRWJFENKZ-IAGOWNOFSA-N 2 2 325.497 1.674 20 0 EDADLP CCO[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000625501113 450396273 /nfs/dbraw/zinc/39/62/73/450396273.db2.gz CQDYOSRWJFENKZ-IAGOWNOFSA-N 2 2 325.497 1.674 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000268089199 442843637 /nfs/dbraw/zinc/84/36/37/442843637.db2.gz AJVGNLODABHNBI-CJNGLKHVSA-N 2 2 327.432 1.659 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000268089199 442843641 /nfs/dbraw/zinc/84/36/41/442843641.db2.gz AJVGNLODABHNBI-CJNGLKHVSA-N 2 2 327.432 1.659 20 0 EDADLP CCCn1c(C)nnc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182903940 442844828 /nfs/dbraw/zinc/84/48/28/442844828.db2.gz TUAULEMOLILKEK-QGZVFWFLSA-N 2 2 334.512 1.598 20 0 EDADLP CCCn1c(C)nnc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182903940 442844832 /nfs/dbraw/zinc/84/48/32/442844832.db2.gz TUAULEMOLILKEK-QGZVFWFLSA-N 2 2 334.512 1.598 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)c[nH+]1 ZINC000265649411 442862999 /nfs/dbraw/zinc/86/29/99/442862999.db2.gz XBQMZDXOJGZXCH-MRXNPFEDSA-N 2 2 349.479 1.448 20 0 EDADLP CCC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000179281722 318455551 /nfs/dbraw/zinc/45/55/51/318455551.db2.gz CGXWJIFWBKKUEG-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000248419770 442890245 /nfs/dbraw/zinc/89/02/45/442890245.db2.gz VMQZJIJBKNBRRP-GOEBONIOSA-N 2 2 342.447 1.035 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000248419770 442890247 /nfs/dbraw/zinc/89/02/47/442890247.db2.gz VMQZJIJBKNBRRP-GOEBONIOSA-N 2 2 342.447 1.035 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000248498881 442897605 /nfs/dbraw/zinc/89/76/05/442897605.db2.gz RXMYZJIKNVUVEB-SJORKVTESA-N 2 2 347.507 1.996 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000248498881 442897611 /nfs/dbraw/zinc/89/76/11/442897611.db2.gz RXMYZJIKNVUVEB-SJORKVTESA-N 2 2 347.507 1.996 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000248498881 442897617 /nfs/dbraw/zinc/89/76/17/442897617.db2.gz RXMYZJIKNVUVEB-SJORKVTESA-N 2 2 347.507 1.996 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000248498881 442897621 /nfs/dbraw/zinc/89/76/21/442897621.db2.gz RXMYZJIKNVUVEB-SJORKVTESA-N 2 2 347.507 1.996 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)c1ccccc1 ZINC000265745166 442904329 /nfs/dbraw/zinc/90/43/29/442904329.db2.gz HGHSRRCIRUDXCB-KRWDZBQOSA-N 2 2 341.459 1.762 20 0 EDADLP O=C(CN1CC[NH+](CCCn2cc[nH+]c2)CC1)Nc1ccccc1F ZINC000183064664 318518198 /nfs/dbraw/zinc/51/81/98/318518198.db2.gz BZTTXGNDHRLJRM-UHFFFAOYSA-N 2 2 345.422 1.669 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CC(N)=O)C(C)(C)C)c2cc1C ZINC000268466671 442998886 /nfs/dbraw/zinc/99/88/86/442998886.db2.gz GVULYCMCVWIEOQ-AWEZNQCLSA-N 2 2 332.448 1.600 20 0 EDADLP Nc1nc(-n2cccn2)cc(N2CCC[N@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000268392261 442972914 /nfs/dbraw/zinc/97/29/14/442972914.db2.gz LFTZBAHNLCAAMJ-UHFFFAOYSA-N 2 2 349.442 1.957 20 0 EDADLP Nc1nc(-n2cccn2)cc(N2CCC[N@@H+](Cc3ccccc3)CC2)[nH+]1 ZINC000268392261 442972916 /nfs/dbraw/zinc/97/29/16/442972916.db2.gz LFTZBAHNLCAAMJ-UHFFFAOYSA-N 2 2 349.442 1.957 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCC[NH+]2CCOCC2)C1 ZINC000195183382 442994283 /nfs/dbraw/zinc/99/42/83/442994283.db2.gz FDOJAAAZTIHMJC-SFHVURJKSA-N 2 2 341.496 1.945 20 0 EDADLP COC[C@@H]1C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H](C)O1 ZINC000251843256 443017877 /nfs/dbraw/zinc/01/78/77/443017877.db2.gz MWVGQWNWFOHIDE-ZACQAIPSSA-N 2 2 347.459 1.750 20 0 EDADLP COC[C@@H]1C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H](C)O1 ZINC000251843256 443017882 /nfs/dbraw/zinc/01/78/82/443017882.db2.gz MWVGQWNWFOHIDE-ZACQAIPSSA-N 2 2 347.459 1.750 20 0 EDADLP OCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000266189747 443050533 /nfs/dbraw/zinc/05/05/33/443050533.db2.gz XZVLSYPXFLCKDJ-APWZRJJASA-N 2 2 330.428 1.745 20 0 EDADLP OCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000266189747 443050537 /nfs/dbraw/zinc/05/05/37/443050537.db2.gz XZVLSYPXFLCKDJ-APWZRJJASA-N 2 2 330.428 1.745 20 0 EDADLP COc1ccc(OC)c(CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000261940791 443174919 /nfs/dbraw/zinc/17/49/19/443174919.db2.gz MRNPYNPEQPHTGH-INIZCTEOSA-N 2 2 333.476 1.821 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000261940791 443174920 /nfs/dbraw/zinc/17/49/20/443174920.db2.gz MRNPYNPEQPHTGH-INIZCTEOSA-N 2 2 333.476 1.821 20 0 EDADLP O=C(CC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1)N1CC[NH2+]CC1 ZINC000261957746 443176020 /nfs/dbraw/zinc/17/60/20/443176020.db2.gz AHMSHORBJIKIGN-INIZCTEOSA-N 2 2 337.851 1.535 20 0 EDADLP O=C(CC[N@H+]1CCO[C@H](c2ccccc2Cl)C1)N1CC[NH2+]CC1 ZINC000261957746 443176026 /nfs/dbraw/zinc/17/60/26/443176026.db2.gz AHMSHORBJIKIGN-INIZCTEOSA-N 2 2 337.851 1.535 20 0 EDADLP CO[C@H](C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000190618817 443149819 /nfs/dbraw/zinc/14/98/19/443149819.db2.gz XJFVRLBSXIVUFL-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245455972 443229650 /nfs/dbraw/zinc/22/96/50/443229650.db2.gz SVHDHWCUPSHMGN-GJZGRUSLSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245455972 443229652 /nfs/dbraw/zinc/22/96/52/443229652.db2.gz SVHDHWCUPSHMGN-GJZGRUSLSA-N 2 2 338.496 1.807 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000269208195 443233260 /nfs/dbraw/zinc/23/32/60/443233260.db2.gz NTTIEWXJBDXYLD-MSOLQXFVSA-N 2 2 342.443 1.439 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[NH2+]CC1CC1 ZINC000262638013 443205340 /nfs/dbraw/zinc/20/53/40/443205340.db2.gz IPILDDTXFSKVBE-KRWDZBQOSA-N 2 2 345.487 1.736 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000269139049 443209697 /nfs/dbraw/zinc/20/96/97/443209697.db2.gz ZVBDEOVBKQZJEV-UHFFFAOYSA-N 2 2 348.472 1.588 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1c1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000350051711 319040569 /nfs/dbraw/zinc/04/05/69/319040569.db2.gz YFECVIOFBULRAX-CQSZACIVSA-N 2 2 325.376 1.236 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCOC ZINC000245850203 443251585 /nfs/dbraw/zinc/25/15/85/443251585.db2.gz CSGXSJUWGRNWFO-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCOC ZINC000245850203 443251587 /nfs/dbraw/zinc/25/15/87/443251587.db2.gz CSGXSJUWGRNWFO-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000413849728 319293417 /nfs/dbraw/zinc/29/34/17/319293417.db2.gz YGZXWMYXMDCNIH-KRWDZBQOSA-N 2 2 346.475 1.617 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000413849728 319293419 /nfs/dbraw/zinc/29/34/19/319293419.db2.gz YGZXWMYXMDCNIH-KRWDZBQOSA-N 2 2 346.475 1.617 20 0 EDADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000415082539 319345844 /nfs/dbraw/zinc/34/58/44/319345844.db2.gz ONOLMMAEGLSONS-SFHVURJKSA-N 3 2 333.476 1.629 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000415087089 319346357 /nfs/dbraw/zinc/34/63/57/319346357.db2.gz TWDJHKYVRYDGER-IIDMSEBBSA-N 2 2 331.460 1.778 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2[nH+]c1C1CC1 ZINC000415268183 319358825 /nfs/dbraw/zinc/35/88/25/319358825.db2.gz NIPVGJHXLFMDGK-GFCCVEGCSA-N 2 2 341.415 1.339 20 0 EDADLP CN(CC[NH3+])C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000415875160 319381290 /nfs/dbraw/zinc/38/12/90/319381290.db2.gz CJSZBZRFYKLNMC-UHFFFAOYSA-N 2 2 341.415 1.242 20 0 EDADLP [NH3+]Cc1ccc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000415961638 319385326 /nfs/dbraw/zinc/38/53/26/319385326.db2.gz RVAHBCQVLKKHIF-UHFFFAOYSA-N 2 2 325.416 1.890 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416003283 319389234 /nfs/dbraw/zinc/38/92/34/319389234.db2.gz GNIMQEZMNNBMFW-NEPJUHHUSA-N 2 2 347.385 1.664 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)OCc3ccccc3)C2)CC1 ZINC000264486529 443306998 /nfs/dbraw/zinc/30/69/98/443306998.db2.gz AJFWWSMXJVLSAM-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)OCc3ccccc3)C2)CC1 ZINC000264486529 443307001 /nfs/dbraw/zinc/30/70/01/443307001.db2.gz AJFWWSMXJVLSAM-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416816860 319463664 /nfs/dbraw/zinc/46/36/64/319463664.db2.gz HQFKMGJDRLSPNU-KBPBESRZSA-N 2 2 340.493 1.276 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC(F)(F)C[NH3+] ZINC000416855389 319467565 /nfs/dbraw/zinc/46/75/65/319467565.db2.gz PYTTWDLWEPJDKS-UHFFFAOYSA-N 2 2 325.363 1.628 20 0 EDADLP [NH3+]CC1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000416884306 319468488 /nfs/dbraw/zinc/46/84/88/319468488.db2.gz CTPRIFILKHCCKL-GOSISDBHSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[NH+]1CCSCC1 ZINC000269450240 443312518 /nfs/dbraw/zinc/31/25/18/443312518.db2.gz DMPVBVVCOYOJEL-UHFFFAOYSA-N 2 2 325.482 1.272 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416886132 319469065 /nfs/dbraw/zinc/46/90/65/319469065.db2.gz GCASUYDXMNCLDV-AEFFLSMTSA-N 2 2 348.491 1.877 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cn1 ZINC000278413744 443323712 /nfs/dbraw/zinc/32/37/12/443323712.db2.gz HKOAELMYQSNRRY-MRXNPFEDSA-N 2 2 325.416 1.819 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cn1 ZINC000278413744 443323717 /nfs/dbraw/zinc/32/37/17/443323717.db2.gz HKOAELMYQSNRRY-MRXNPFEDSA-N 2 2 325.416 1.819 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266947986 443299510 /nfs/dbraw/zinc/29/95/10/443299510.db2.gz SWOFIKQUUVBIGT-AWEZNQCLSA-N 2 2 345.422 1.386 20 0 EDADLP C[C@H](C(=O)NCC[N@H+](C)C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264661481 443364430 /nfs/dbraw/zinc/36/44/30/443364430.db2.gz HRFAXKZISFPOAX-OAHLLOKOSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264661481 443364437 /nfs/dbraw/zinc/36/44/37/443364437.db2.gz HRFAXKZISFPOAX-OAHLLOKOSA-N 2 2 348.466 1.547 20 0 EDADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000269627683 443370383 /nfs/dbraw/zinc/37/03/83/443370383.db2.gz VIBHMEODBQROOZ-SFHVURJKSA-N 2 2 342.443 1.508 20 0 EDADLP NC(=O)C[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000269733839 443416237 /nfs/dbraw/zinc/41/62/37/443416237.db2.gz SXBGGXMHAAQMNO-CQSZACIVSA-N 2 2 327.388 1.028 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000420365546 319610774 /nfs/dbraw/zinc/61/07/74/319610774.db2.gz QGLCKQYTFPGWJL-HNNXBMFYSA-N 2 2 332.448 1.715 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000264811492 443435341 /nfs/dbraw/zinc/43/53/41/443435341.db2.gz WIQDSWUKQWXSMT-SFHVURJKSA-N 2 2 330.476 1.139 20 0 EDADLP C[C@@H]1C[N@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccn2)CCCO1 ZINC000278664836 443395230 /nfs/dbraw/zinc/39/52/30/443395230.db2.gz IWJRVVCAWAMWTG-WBVHZDCISA-N 2 2 329.448 1.985 20 0 EDADLP C[C@@H]1C[N@@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccn2)CCCO1 ZINC000278664836 443395234 /nfs/dbraw/zinc/39/52/34/443395234.db2.gz IWJRVVCAWAMWTG-WBVHZDCISA-N 2 2 329.448 1.985 20 0 EDADLP C[NH+](C)C[C@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000420917546 319657497 /nfs/dbraw/zinc/65/74/97/319657497.db2.gz SKXXZRTUUANKGV-IBGZPJMESA-N 2 2 333.476 1.281 20 0 EDADLP CC(C)Oc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000267275224 443401904 /nfs/dbraw/zinc/40/19/04/443401904.db2.gz QWSGPPOCFDCASB-UHFFFAOYSA-N 2 2 334.464 1.625 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NCc2cccnc2)CC1 ZINC000278704206 443407473 /nfs/dbraw/zinc/40/74/73/443407473.db2.gz TWWFDRGENZRBQM-UHFFFAOYSA-N 2 2 340.427 1.945 20 0 EDADLP CC[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422932298 319738941 /nfs/dbraw/zinc/73/89/41/319738941.db2.gz FKLARFXPXHOZBX-CVEARBPZSA-N 2 2 325.478 1.226 20 0 EDADLP O=C(CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCc2ccccc21 ZINC000422952500 319740867 /nfs/dbraw/zinc/74/08/67/319740867.db2.gz COGGVKLFPIVJLX-QUCCMNQESA-N 2 2 343.471 1.713 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000278870179 443468456 /nfs/dbraw/zinc/46/84/56/443468456.db2.gz VTEAFHCHMQEDRH-QGZVFWFLSA-N 2 2 342.443 1.534 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000278870179 443468458 /nfs/dbraw/zinc/46/84/58/443468458.db2.gz VTEAFHCHMQEDRH-QGZVFWFLSA-N 2 2 342.443 1.534 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000278870179 443468459 /nfs/dbraw/zinc/46/84/59/443468459.db2.gz VTEAFHCHMQEDRH-QGZVFWFLSA-N 2 2 342.443 1.534 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000278870179 443468461 /nfs/dbraw/zinc/46/84/61/443468461.db2.gz VTEAFHCHMQEDRH-QGZVFWFLSA-N 2 2 342.443 1.534 20 0 EDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C[NH+]1CCOCC1 ZINC000423365383 319767601 /nfs/dbraw/zinc/76/76/01/319767601.db2.gz BDVCUZPVVYFTEP-ABAIWWIYSA-N 2 2 327.375 1.049 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000283079479 443516241 /nfs/dbraw/zinc/51/62/41/443516241.db2.gz CHFMAYGMRCFNQI-HNNXBMFYSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000283079479 443516245 /nfs/dbraw/zinc/51/62/45/443516245.db2.gz CHFMAYGMRCFNQI-HNNXBMFYSA-N 2 2 349.479 1.016 20 0 EDADLP COc1ccnc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000279188037 443528775 /nfs/dbraw/zinc/52/87/75/443528775.db2.gz CKSGSSCLLBNHAO-HOCLYGCPSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccnc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000279188037 443528779 /nfs/dbraw/zinc/52/87/79/443528779.db2.gz CKSGSSCLLBNHAO-HOCLYGCPSA-N 2 2 347.438 1.868 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)n1C ZINC000425344451 319832601 /nfs/dbraw/zinc/83/26/01/319832601.db2.gz TXLQZLTXNMDARO-UHFFFAOYSA-N 2 2 328.463 1.241 20 0 EDADLP [NH3+]CCCOC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000430564340 319934721 /nfs/dbraw/zinc/93/47/21/319934721.db2.gz ZEFKJTQMGPAQSE-UHFFFAOYSA-N 2 2 326.462 1.290 20 0 EDADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000449004033 320173145 /nfs/dbraw/zinc/17/31/45/320173145.db2.gz VFUVLNJGKSKEJG-QAPCUYQASA-N 2 2 336.501 1.859 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@H]3CCCC[N@@H+]3CCO)cn2)cc1 ZINC000449396454 320188440 /nfs/dbraw/zinc/18/84/40/320188440.db2.gz LNQVKIPHXUPADO-GOSISDBHSA-N 2 2 344.459 1.817 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@H]3CCCC[N@H+]3CCO)cn2)cc1 ZINC000449396454 320188443 /nfs/dbraw/zinc/18/84/43/320188443.db2.gz LNQVKIPHXUPADO-GOSISDBHSA-N 2 2 344.459 1.817 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000452098557 320241282 /nfs/dbraw/zinc/24/12/82/320241282.db2.gz OWYQOXDELQFAGM-QFBILLFUSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000452098557 320241285 /nfs/dbraw/zinc/24/12/85/320241285.db2.gz OWYQOXDELQFAGM-QFBILLFUSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cc(C)c(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)c[nH+]1 ZINC000457629889 320331959 /nfs/dbraw/zinc/33/19/59/320331959.db2.gz BUCKUNWZVUSWHF-UHFFFAOYSA-N 2 2 333.480 1.524 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000458712716 320339332 /nfs/dbraw/zinc/33/93/32/320339332.db2.gz NTPQKFPNZZIXDH-UHFFFAOYSA-N 2 2 335.374 1.977 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000458712716 320339333 /nfs/dbraw/zinc/33/93/33/320339333.db2.gz NTPQKFPNZZIXDH-UHFFFAOYSA-N 2 2 335.374 1.977 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459320091 320346497 /nfs/dbraw/zinc/34/64/97/320346497.db2.gz SNULIHKSKISVOL-MVJTYMMSSA-N 2 2 334.508 1.985 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459320091 320346498 /nfs/dbraw/zinc/34/64/98/320346498.db2.gz SNULIHKSKISVOL-MVJTYMMSSA-N 2 2 334.508 1.985 20 0 EDADLP C[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000488143387 320357394 /nfs/dbraw/zinc/35/73/94/320357394.db2.gz DLOMMIYZFXQBBR-INIZCTEOSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@H]1COC(C)(C)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000488143387 320357395 /nfs/dbraw/zinc/35/73/95/320357395.db2.gz DLOMMIYZFXQBBR-INIZCTEOSA-N 2 2 346.475 1.620 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000492856631 320388665 /nfs/dbraw/zinc/38/86/65/320388665.db2.gz CHTKJMJRULDPAP-BQYQJAHWSA-N 2 2 339.443 1.751 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CC=CCC2)c[nH+]1 ZINC000280288096 443691425 /nfs/dbraw/zinc/69/14/25/443691425.db2.gz OOKQMRBCDDENLY-UHFFFAOYSA-N 2 2 331.464 1.989 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CC=CCC2)c[nH+]1 ZINC000280288096 443691427 /nfs/dbraw/zinc/69/14/27/443691427.db2.gz OOKQMRBCDDENLY-UHFFFAOYSA-N 2 2 331.464 1.989 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)n1C ZINC000519000631 320461901 /nfs/dbraw/zinc/46/19/01/320461901.db2.gz HLBBNMRDWUXLOQ-UHFFFAOYSA-N 2 2 328.463 1.200 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCO[C@H]2CCC[C@H]21)c1ccccc1 ZINC000280486841 443725145 /nfs/dbraw/zinc/72/51/45/443725145.db2.gz AMVCPLRHEFSWER-SQNIBIBYSA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCO[C@H]2CCC[C@H]21)c1ccccc1 ZINC000280486841 443725148 /nfs/dbraw/zinc/72/51/48/443725148.db2.gz AMVCPLRHEFSWER-SQNIBIBYSA-N 2 2 331.460 1.659 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000283802989 443725157 /nfs/dbraw/zinc/72/51/57/443725157.db2.gz ATXPVIHGLXKOOM-QLFBSQMISA-N 2 2 345.447 1.206 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000283802989 443725162 /nfs/dbraw/zinc/72/51/62/443725162.db2.gz ATXPVIHGLXKOOM-QLFBSQMISA-N 2 2 345.447 1.206 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCC1CC[NH2+]CC1 ZINC000520768662 320479859 /nfs/dbraw/zinc/47/98/59/320479859.db2.gz WGXNKXGILVVQTP-UHFFFAOYSA-N 2 2 327.432 1.730 20 0 EDADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc(Cl)c1O ZINC000298500794 443784488 /nfs/dbraw/zinc/78/44/88/443784488.db2.gz QJMTVOJAUNCKSH-CYBMUJFWSA-N 2 2 327.856 1.780 20 0 EDADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc(Cl)c1O ZINC000298500794 443784492 /nfs/dbraw/zinc/78/44/92/443784492.db2.gz QJMTVOJAUNCKSH-CYBMUJFWSA-N 2 2 327.856 1.780 20 0 EDADLP O=C(N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280819106 443750924 /nfs/dbraw/zinc/75/09/24/443750924.db2.gz NBZDFUYJTWYFLM-WSTZPKSXSA-N 2 2 343.471 1.254 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529293750 320572649 /nfs/dbraw/zinc/57/26/49/320572649.db2.gz ZGBGHEXQEXZKAS-GDBMZVCRSA-N 2 2 335.452 1.072 20 0 EDADLP C[NH+]1CCN(CCCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000298681769 443837484 /nfs/dbraw/zinc/83/74/84/443837484.db2.gz YQERELPTTMMNAM-UHFFFAOYSA-N 2 2 341.459 1.299 20 0 EDADLP CN1CC[NH+](CCCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000298681769 443837489 /nfs/dbraw/zinc/83/74/89/443837489.db2.gz YQERELPTTMMNAM-UHFFFAOYSA-N 2 2 341.459 1.299 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)C1 ZINC000292786634 443843329 /nfs/dbraw/zinc/84/33/29/443843329.db2.gz YJNXURZGSHHGFE-QAPCUYQASA-N 2 2 329.448 1.398 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000284988469 443810485 /nfs/dbraw/zinc/81/04/85/443810485.db2.gz YZSOCINELVEUEV-KBAYOESNSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000284988469 443810486 /nfs/dbraw/zinc/81/04/86/443810486.db2.gz YZSOCINELVEUEV-KBAYOESNSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000284988469 443810488 /nfs/dbraw/zinc/81/04/88/443810488.db2.gz YZSOCINELVEUEV-KBAYOESNSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000284988469 443810489 /nfs/dbraw/zinc/81/04/89/443810489.db2.gz YZSOCINELVEUEV-KBAYOESNSA-N 2 2 331.460 1.201 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[C@@H]([N@H+](C)CCO)[C@H]3C)ccc2[nH+]1 ZINC000292894795 443872093 /nfs/dbraw/zinc/87/20/93/443872093.db2.gz JOKDZYKFWPOUBC-UKRRQHHQSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[C@@H]([N@@H+](C)CCO)[C@H]3C)ccc2[nH+]1 ZINC000292894795 443872097 /nfs/dbraw/zinc/87/20/97/443872097.db2.gz JOKDZYKFWPOUBC-UKRRQHHQSA-N 2 2 331.420 1.562 20 0 EDADLP C[C@H](O)CNc1cc(NCc2ccc(CC[NH+](C)C)cc2)nc[nH+]1 ZINC000298819197 443877057 /nfs/dbraw/zinc/87/70/57/443877057.db2.gz GLIZIJMLYGIEAF-AWEZNQCLSA-N 2 2 329.448 1.986 20 0 EDADLP C[C@H](O)CNc1cc(NCc2ccc(CC[NH+](C)C)cc2)[nH+]cn1 ZINC000298819197 443877060 /nfs/dbraw/zinc/87/70/60/443877060.db2.gz GLIZIJMLYGIEAF-AWEZNQCLSA-N 2 2 329.448 1.986 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C[NH+](C)C)c2cnccc12 ZINC000277232257 443943957 /nfs/dbraw/zinc/94/39/57/443943957.db2.gz BOSIGTMAQAWQKX-UHFFFAOYSA-N 2 2 329.404 1.235 20 0 EDADLP CCNC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000277071428 443902132 /nfs/dbraw/zinc/90/21/32/443902132.db2.gz DZZRAONEGAOJBE-UHFFFAOYSA-N 2 2 330.476 1.942 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288515146 443904945 /nfs/dbraw/zinc/90/49/45/443904945.db2.gz QZNIFKDQTGWMHA-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288515146 443904947 /nfs/dbraw/zinc/90/49/47/443904947.db2.gz QZNIFKDQTGWMHA-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288515146 443904950 /nfs/dbraw/zinc/90/49/50/443904950.db2.gz QZNIFKDQTGWMHA-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288515146 443904952 /nfs/dbraw/zinc/90/49/52/443904952.db2.gz QZNIFKDQTGWMHA-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP Cc1csc2nc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc(=O)n12 ZINC000293054449 443913530 /nfs/dbraw/zinc/91/35/30/443913530.db2.gz UDZPLFOBWYOABE-KRWDZBQOSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cc(=O)n12 ZINC000293054449 443913531 /nfs/dbraw/zinc/91/35/31/443913531.db2.gz UDZPLFOBWYOABE-KRWDZBQOSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc(=O)n12 ZINC000293054449 443913533 /nfs/dbraw/zinc/91/35/33/443913533.db2.gz UDZPLFOBWYOABE-KRWDZBQOSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc(=O)n12 ZINC000293054449 443913534 /nfs/dbraw/zinc/91/35/34/443913534.db2.gz UDZPLFOBWYOABE-KRWDZBQOSA-N 2 2 332.473 1.982 20 0 EDADLP COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000288795700 443985274 /nfs/dbraw/zinc/98/52/74/443985274.db2.gz CQMQTSVLZFGNPJ-QGZVFWFLSA-N 2 2 339.455 1.855 20 0 EDADLP COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000288795700 443985278 /nfs/dbraw/zinc/98/52/78/443985278.db2.gz CQMQTSVLZFGNPJ-QGZVFWFLSA-N 2 2 339.455 1.855 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000277416276 443985437 /nfs/dbraw/zinc/98/54/37/443985437.db2.gz ZSILJHAYXOABDN-QGZVFWFLSA-N 2 2 345.491 1.146 20 0 EDADLP COC[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000285364910 443956610 /nfs/dbraw/zinc/95/66/10/443956610.db2.gz QWEJLFWIYFKWJI-QUCCMNQESA-N 2 2 347.503 1.934 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000299112448 443958372 /nfs/dbraw/zinc/95/83/72/443958372.db2.gz BQGLBVKKSVWHEN-HNNXBMFYSA-N 2 2 349.475 1.688 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000299112448 443958376 /nfs/dbraw/zinc/95/83/76/443958376.db2.gz BQGLBVKKSVWHEN-HNNXBMFYSA-N 2 2 349.475 1.688 20 0 EDADLP CC(C)C(=O)NCC[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285509264 444010441 /nfs/dbraw/zinc/01/04/41/444010441.db2.gz FREGFKSQRFVTKJ-UHFFFAOYSA-N 2 2 346.519 1.903 20 0 EDADLP CC(C)C(=O)NCC[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285509264 444010444 /nfs/dbraw/zinc/01/04/44/444010444.db2.gz FREGFKSQRFVTKJ-UHFFFAOYSA-N 2 2 346.519 1.903 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2nc[nH+]c(N)c2Cl)CC1 ZINC000277593257 444012124 /nfs/dbraw/zinc/01/21/24/444012124.db2.gz UMJXZPXSTBCDEV-UHFFFAOYSA-N 2 2 327.816 1.399 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000299492354 444061905 /nfs/dbraw/zinc/06/19/05/444061905.db2.gz NWCOGORLLWUYRS-CYBMUJFWSA-N 2 2 347.488 1.999 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000299492354 444061906 /nfs/dbraw/zinc/06/19/06/444061906.db2.gz NWCOGORLLWUYRS-CYBMUJFWSA-N 2 2 347.488 1.999 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CC[NH+](CC2CC2)CC1 ZINC000558490062 321015317 /nfs/dbraw/zinc/01/53/17/321015317.db2.gz YFLXPVWIWRSUIB-UHFFFAOYSA-N 2 2 340.431 1.886 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[NH+](C)C)c1 ZINC000561063422 321031987 /nfs/dbraw/zinc/03/19/87/321031987.db2.gz XYJPLMSWAPOZSE-MAUKXSAKSA-N 2 2 342.443 1.873 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457033 321058597 /nfs/dbraw/zinc/05/85/97/321058597.db2.gz RJFURAJSISHAHK-MFKMUULPSA-N 2 2 349.859 1.297 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457033 321058599 /nfs/dbraw/zinc/05/85/99/321058599.db2.gz RJFURAJSISHAHK-MFKMUULPSA-N 2 2 349.859 1.297 20 0 EDADLP COC[C@]1(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)CCC[NH2+]1 ZINC000562816698 321078671 /nfs/dbraw/zinc/07/86/71/321078671.db2.gz RKAGUSVUTWVHJM-CXAGYDPISA-N 2 2 335.452 1.281 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000563139085 321098386 /nfs/dbraw/zinc/09/83/86/321098386.db2.gz VJCBLBSEDRTKLQ-PMACEKPBSA-N 3 2 347.503 1.188 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000563139085 321098387 /nfs/dbraw/zinc/09/83/87/321098387.db2.gz VJCBLBSEDRTKLQ-PMACEKPBSA-N 3 2 347.503 1.188 20 0 EDADLP C[NH+](C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139085 321098388 /nfs/dbraw/zinc/09/83/88/321098388.db2.gz VJCBLBSEDRTKLQ-PMACEKPBSA-N 3 2 347.503 1.188 20 0 EDADLP C[NH+](C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139085 321098390 /nfs/dbraw/zinc/09/83/90/321098390.db2.gz VJCBLBSEDRTKLQ-PMACEKPBSA-N 3 2 347.503 1.188 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2cccnn2)([NH+]2CCCCC2)CC1 ZINC000564036265 321119640 /nfs/dbraw/zinc/11/96/40/321119640.db2.gz NMCYXVGOWCYDPW-UHFFFAOYSA-N 2 2 346.479 1.226 20 0 EDADLP COCCOc1cc(C)ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000564640919 321139599 /nfs/dbraw/zinc/13/95/99/321139599.db2.gz MNSXVPSPNVQEMP-AWEZNQCLSA-N 2 2 336.436 1.127 20 0 EDADLP COCCOc1cc(C)ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000564640919 321139600 /nfs/dbraw/zinc/13/96/00/321139600.db2.gz MNSXVPSPNVQEMP-AWEZNQCLSA-N 2 2 336.436 1.127 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cn2)n1 ZINC000564824028 321150150 /nfs/dbraw/zinc/15/01/50/321150150.db2.gz PPDWEOJQQFCBIW-MJGOQNOKSA-N 2 2 341.459 1.741 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cc[nH]c(=O)c1 ZINC000564860106 321152326 /nfs/dbraw/zinc/15/23/26/321152326.db2.gz NDERBVWWNFAFAP-KBXCAEBGSA-N 2 2 327.428 1.857 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc[nH]c(=O)c1 ZINC000564860106 321152327 /nfs/dbraw/zinc/15/23/27/321152327.db2.gz NDERBVWWNFAFAP-KBXCAEBGSA-N 2 2 327.428 1.857 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299592747 444089319 /nfs/dbraw/zinc/08/93/19/444089319.db2.gz WMOQXHWOJGRTKD-GOSISDBHSA-N 2 2 330.476 1.857 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299592747 444089322 /nfs/dbraw/zinc/08/93/22/444089322.db2.gz WMOQXHWOJGRTKD-GOSISDBHSA-N 2 2 330.476 1.857 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]1 ZINC000566057779 321212816 /nfs/dbraw/zinc/21/28/16/321212816.db2.gz RYWAARIETAHRNG-DOTOQJQBSA-N 2 2 332.448 1.063 20 0 EDADLP COc1ccccc1NC(=O)CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000567471701 321242812 /nfs/dbraw/zinc/24/28/12/321242812.db2.gz XGMINVGXXKCLBS-LJQANCHMSA-N 2 2 346.475 1.251 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000567476802 321243420 /nfs/dbraw/zinc/24/34/20/321243420.db2.gz BLGWBPLYPCGMIC-ZDUSSCGKSA-N 2 2 330.354 1.490 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000567476802 321243421 /nfs/dbraw/zinc/24/34/21/321243421.db2.gz BLGWBPLYPCGMIC-ZDUSSCGKSA-N 2 2 330.354 1.490 20 0 EDADLP CCO[C@@H](CC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000567626959 321249694 /nfs/dbraw/zinc/24/96/94/321249694.db2.gz PTCMFNLVLRRKND-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP CCO[C@@H](CC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000567626959 321249696 /nfs/dbraw/zinc/24/96/96/321249696.db2.gz PTCMFNLVLRRKND-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1Cc1ccccc1 ZINC000567976620 321270279 /nfs/dbraw/zinc/27/02/79/321270279.db2.gz PWNXDHMVXMZILT-MJGOQNOKSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1Cc1ccccc1 ZINC000567976620 321270281 /nfs/dbraw/zinc/27/02/81/321270281.db2.gz PWNXDHMVXMZILT-MJGOQNOKSA-N 2 2 338.455 1.831 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568165381 321278004 /nfs/dbraw/zinc/27/80/04/321278004.db2.gz MFGSWXUOQJILOX-UONOGXRCSA-N 2 2 347.463 1.756 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568165381 321278006 /nfs/dbraw/zinc/27/80/06/321278006.db2.gz MFGSWXUOQJILOX-UONOGXRCSA-N 2 2 347.463 1.756 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289294945 444099672 /nfs/dbraw/zinc/09/96/72/444099672.db2.gz BQFXGBRHHOHCIX-INIZCTEOSA-N 2 2 326.441 1.481 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289294945 444099677 /nfs/dbraw/zinc/09/96/77/444099677.db2.gz BQFXGBRHHOHCIX-INIZCTEOSA-N 2 2 326.441 1.481 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000569985275 321333385 /nfs/dbraw/zinc/33/33/85/321333385.db2.gz BJBFSJFFYUPOGX-JLSDUUJJSA-N 2 2 342.443 1.340 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000569985275 321333386 /nfs/dbraw/zinc/33/33/86/321333386.db2.gz BJBFSJFFYUPOGX-JLSDUUJJSA-N 2 2 342.443 1.340 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000569985275 321333387 /nfs/dbraw/zinc/33/33/87/321333387.db2.gz BJBFSJFFYUPOGX-JLSDUUJJSA-N 2 2 342.443 1.340 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000569985275 321333388 /nfs/dbraw/zinc/33/33/88/321333388.db2.gz BJBFSJFFYUPOGX-JLSDUUJJSA-N 2 2 342.443 1.340 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000570606962 321349374 /nfs/dbraw/zinc/34/93/74/321349374.db2.gz OWEQKHLHIWJNNE-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000570606962 321349376 /nfs/dbraw/zinc/34/93/76/321349376.db2.gz OWEQKHLHIWJNNE-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCC[C@H](CCNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000570606962 321349378 /nfs/dbraw/zinc/34/93/78/321349378.db2.gz OWEQKHLHIWJNNE-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCC[C@H](CCNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000570606962 321349380 /nfs/dbraw/zinc/34/93/80/321349380.db2.gz OWEQKHLHIWJNNE-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000570693639 321353850 /nfs/dbraw/zinc/35/38/50/321353850.db2.gz NOKVVBNIWHOFLM-HNNXBMFYSA-N 2 2 331.464 1.679 20 0 EDADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)c1C ZINC000570769077 321356495 /nfs/dbraw/zinc/35/64/95/321356495.db2.gz FBLIQLOTVCTQJC-GOSISDBHSA-N 2 2 339.443 1.818 20 0 EDADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)c1C ZINC000570769077 321356496 /nfs/dbraw/zinc/35/64/96/321356496.db2.gz FBLIQLOTVCTQJC-GOSISDBHSA-N 2 2 339.443 1.818 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCC[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000570813231 321359587 /nfs/dbraw/zinc/35/95/87/321359587.db2.gz IXVAAPRIXKETEA-ZIAGYGMSSA-N 2 2 335.452 1.185 20 0 EDADLP C[C@H](OCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)c1nccn1C ZINC000571440453 321387089 /nfs/dbraw/zinc/38/70/89/321387089.db2.gz UDAOXZODHFNBFS-LBPRGKRZSA-N 2 2 326.360 1.717 20 0 EDADLP C[C@@](O)(CNc1[nH+]cnc2[nH]c3ccccc3c21)C[NH+]1CCOCC1 ZINC000571511061 321389472 /nfs/dbraw/zinc/38/94/72/321389472.db2.gz MVGGNPLDJKXSNG-GOSISDBHSA-N 2 2 341.415 1.606 20 0 EDADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289368368 444120409 /nfs/dbraw/zinc/12/04/09/444120409.db2.gz OVYSPPFIWNMBQK-CABCVRRESA-N 2 2 332.448 1.612 20 0 EDADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289368368 444120412 /nfs/dbraw/zinc/12/04/12/444120412.db2.gz OVYSPPFIWNMBQK-CABCVRRESA-N 2 2 332.448 1.612 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299686479 444116457 /nfs/dbraw/zinc/11/64/57/444116457.db2.gz NMSYBCQRRLSLBC-CABCVRRESA-N 2 2 341.415 1.358 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299686479 444116460 /nfs/dbraw/zinc/11/64/60/444116460.db2.gz NMSYBCQRRLSLBC-CABCVRRESA-N 2 2 341.415 1.358 20 0 EDADLP CN(CCC[N@H+](C)Cc1cnn(-c2ccccc2)n1)CC[NH+](C)C ZINC000289401082 444129830 /nfs/dbraw/zinc/12/98/30/444129830.db2.gz LAAWRKFKCIEPGL-UHFFFAOYSA-N 2 2 330.480 1.583 20 0 EDADLP CN(CCC[N@@H+](C)Cc1cnn(-c2ccccc2)n1)CC[NH+](C)C ZINC000289401082 444129834 /nfs/dbraw/zinc/12/98/34/444129834.db2.gz LAAWRKFKCIEPGL-UHFFFAOYSA-N 2 2 330.480 1.583 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC=C(c3cccnc3)C2)CC1 ZINC000289415550 444135921 /nfs/dbraw/zinc/13/59/21/444135921.db2.gz UEDYAQGCBZKGSS-INIZCTEOSA-N 2 2 328.460 1.723 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC=C(c3cccnc3)C2)CC1 ZINC000289415550 444135926 /nfs/dbraw/zinc/13/59/26/444135926.db2.gz UEDYAQGCBZKGSS-INIZCTEOSA-N 2 2 328.460 1.723 20 0 EDADLP Cc1ccccc1-n1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)nn1 ZINC000289428091 444140421 /nfs/dbraw/zinc/14/04/21/444140421.db2.gz KEAWDKIJGIHMHU-UHFFFAOYSA-N 2 2 342.491 1.645 20 0 EDADLP Cc1ccccc1-n1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)nn1 ZINC000289428091 444140426 /nfs/dbraw/zinc/14/04/26/444140426.db2.gz KEAWDKIJGIHMHU-UHFFFAOYSA-N 2 2 342.491 1.645 20 0 EDADLP C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])c2)C1=O ZINC000573474154 321455768 /nfs/dbraw/zinc/45/57/68/321455768.db2.gz QRZSEDRMHMNFHH-GPMSIDNRSA-N 2 2 342.443 1.881 20 0 EDADLP Cc1nc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(C)c(C)[nH+]1 ZINC000301452577 444172519 /nfs/dbraw/zinc/17/25/19/444172519.db2.gz URRWHQBXNOFEPW-UHFFFAOYSA-N 2 2 331.464 1.536 20 0 EDADLP Cc1nc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(C)c(C)[nH+]1 ZINC000301452577 444172521 /nfs/dbraw/zinc/17/25/21/444172521.db2.gz URRWHQBXNOFEPW-UHFFFAOYSA-N 2 2 331.464 1.536 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301550651 444179021 /nfs/dbraw/zinc/17/90/21/444179021.db2.gz VGYRKGQIRKFZKD-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)NC(=O)NC1=O ZINC000289950852 444223315 /nfs/dbraw/zinc/22/33/15/444223315.db2.gz YSILSAPSJMVWFE-YVEFUNNKSA-N 2 2 327.388 1.287 20 0 EDADLP C[C@]1(C[C@@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)NC(=O)NC1=O ZINC000289950852 444223316 /nfs/dbraw/zinc/22/33/16/444223316.db2.gz YSILSAPSJMVWFE-YVEFUNNKSA-N 2 2 327.388 1.287 20 0 EDADLP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289720530 444194581 /nfs/dbraw/zinc/19/45/81/444194581.db2.gz GUPRYVWGHGFBJK-KBXCAEBGSA-N 2 2 329.448 1.715 20 0 EDADLP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289720530 444194583 /nfs/dbraw/zinc/19/45/83/444194583.db2.gz GUPRYVWGHGFBJK-KBXCAEBGSA-N 2 2 329.448 1.715 20 0 EDADLP C[C@@H](c1ccc(-n2cncn2)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289720530 444194585 /nfs/dbraw/zinc/19/45/85/444194585.db2.gz GUPRYVWGHGFBJK-KBXCAEBGSA-N 2 2 329.448 1.715 20 0 EDADLP C[C@@H](c1ccc(-n2cncn2)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289720530 444194586 /nfs/dbraw/zinc/19/45/86/444194586.db2.gz GUPRYVWGHGFBJK-KBXCAEBGSA-N 2 2 329.448 1.715 20 0 EDADLP CC(C)c1nc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000301950951 444198245 /nfs/dbraw/zinc/19/82/45/444198245.db2.gz ZRUIJDYXYXJEFY-OKILXGFUSA-N 2 2 336.484 1.972 20 0 EDADLP CC(C)c1nc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000301950951 444198247 /nfs/dbraw/zinc/19/82/47/444198247.db2.gz ZRUIJDYXYXJEFY-OKILXGFUSA-N 2 2 336.484 1.972 20 0 EDADLP Nc1[nH+]cnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000302065679 444202759 /nfs/dbraw/zinc/20/27/59/444202759.db2.gz VXOPJLOINNRXMT-UHFFFAOYSA-N 2 2 346.866 1.942 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783133 444203118 /nfs/dbraw/zinc/20/31/18/444203118.db2.gz LDNNQGPFUHYBNP-RBUKOAKNSA-N 2 2 345.487 1.726 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783133 444203120 /nfs/dbraw/zinc/20/31/20/444203120.db2.gz LDNNQGPFUHYBNP-RBUKOAKNSA-N 2 2 345.487 1.726 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783133 444203121 /nfs/dbraw/zinc/20/31/21/444203121.db2.gz LDNNQGPFUHYBNP-RBUKOAKNSA-N 2 2 345.487 1.726 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783133 444203123 /nfs/dbraw/zinc/20/31/23/444203123.db2.gz LDNNQGPFUHYBNP-RBUKOAKNSA-N 2 2 345.487 1.726 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)n1C ZINC000302089167 444203845 /nfs/dbraw/zinc/20/38/45/444203845.db2.gz KLZVEGVZGYIRLZ-CQSZACIVSA-N 2 2 337.468 1.879 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000290129618 444246449 /nfs/dbraw/zinc/24/64/49/444246449.db2.gz ZJHIYUHGZCOCKT-KBAYOESNSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc(C)c1O ZINC000290142450 444247834 /nfs/dbraw/zinc/24/78/34/444247834.db2.gz VVCNKVDKXVZICM-QGZVFWFLSA-N 2 2 331.460 1.747 20 0 EDADLP Cc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc(C)c1O ZINC000290142450 444247836 /nfs/dbraw/zinc/24/78/36/444247836.db2.gz VVCNKVDKXVZICM-QGZVFWFLSA-N 2 2 331.460 1.747 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H](CO)CC2CCCCC2)C[C@@H](C)O1 ZINC000576992412 321613968 /nfs/dbraw/zinc/61/39/68/321613968.db2.gz MBXAXFAOCQNOPK-XYVMCAHJSA-N 2 2 328.497 1.377 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302914382 444230989 /nfs/dbraw/zinc/23/09/89/444230989.db2.gz VATTVTDCSCSZJI-OAGGEKHMSA-N 2 2 333.480 1.968 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302914382 444230991 /nfs/dbraw/zinc/23/09/91/444230991.db2.gz VATTVTDCSCSZJI-OAGGEKHMSA-N 2 2 333.480 1.968 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC[C@@H]3CC(N)=O)c2cc1C ZINC000303374458 444236678 /nfs/dbraw/zinc/23/66/78/444236678.db2.gz NKHHISLVEOSURQ-CVEARBPZSA-N 2 2 344.459 1.744 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC[C@@H]3CC(N)=O)c2cc1C ZINC000303374458 444236680 /nfs/dbraw/zinc/23/66/80/444236680.db2.gz NKHHISLVEOSURQ-CVEARBPZSA-N 2 2 344.459 1.744 20 0 EDADLP CCOc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1O ZINC000297602696 444307559 /nfs/dbraw/zinc/30/75/59/444307559.db2.gz FVFANGFKGZAJHP-INIZCTEOSA-N 2 2 347.459 1.529 20 0 EDADLP CCOc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1O ZINC000297602696 444307561 /nfs/dbraw/zinc/30/75/61/444307561.db2.gz FVFANGFKGZAJHP-INIZCTEOSA-N 2 2 347.459 1.529 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000577494132 321657852 /nfs/dbraw/zinc/65/78/52/321657852.db2.gz IUKYYUMCGCQBFF-SFHVURJKSA-N 2 2 345.487 1.690 20 0 EDADLP CC(C)(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)N1CC[NH2+]CC1 ZINC000577727065 321677031 /nfs/dbraw/zinc/67/70/31/321677031.db2.gz WCWSKLQUDNISFB-UHFFFAOYSA-N 2 2 327.432 1.172 20 0 EDADLP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000305711450 444274549 /nfs/dbraw/zinc/27/45/49/444274549.db2.gz FLTTUQVTRTVJBI-MSOLQXFVSA-N 2 2 349.450 1.582 20 0 EDADLP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000305711450 444274550 /nfs/dbraw/zinc/27/45/50/444274550.db2.gz FLTTUQVTRTVJBI-MSOLQXFVSA-N 2 2 349.450 1.582 20 0 EDADLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cnn1C ZINC000305849617 444283174 /nfs/dbraw/zinc/28/31/74/444283174.db2.gz UNFHJWJDKAQFIW-KBXCAEBGSA-N 2 2 328.460 1.798 20 0 EDADLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cnn1C ZINC000305849617 444283175 /nfs/dbraw/zinc/28/31/75/444283175.db2.gz UNFHJWJDKAQFIW-KBXCAEBGSA-N 2 2 328.460 1.798 20 0 EDADLP [NH3+]C1CCC(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000311763610 444293945 /nfs/dbraw/zinc/29/39/45/444293945.db2.gz GFJFMGMGIKYSPH-ABHNRTSZSA-N 2 2 331.460 1.521 20 0 EDADLP [NH3+]C1CCC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000311763610 444293948 /nfs/dbraw/zinc/29/39/48/444293948.db2.gz GFJFMGMGIKYSPH-ABHNRTSZSA-N 2 2 331.460 1.521 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000578784575 321831664 /nfs/dbraw/zinc/83/16/64/321831664.db2.gz OPIPCQUJVDGHBT-UHFFFAOYSA-N 2 2 333.476 1.713 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(-n2cc(Cl)cn2)n1 ZINC000580066018 322004470 /nfs/dbraw/zinc/00/44/70/322004470.db2.gz IJLCDSYNZGIEHR-INIZCTEOSA-N 2 2 349.866 1.774 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(-n2cc(Cl)cn2)n1 ZINC000580066018 322004473 /nfs/dbraw/zinc/00/44/73/322004473.db2.gz IJLCDSYNZGIEHR-INIZCTEOSA-N 2 2 349.866 1.774 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000580080094 322007470 /nfs/dbraw/zinc/00/74/70/322007470.db2.gz PLNUUULWDNNNQE-ZFWWWQNUSA-N 2 2 326.404 1.267 20 0 EDADLP Cc1ccc(-c2nc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)co2)cc1 ZINC000580347038 322040775 /nfs/dbraw/zinc/04/07/75/322040775.db2.gz IYEDUPDICINIIE-HZPDHXFCSA-N 2 2 326.400 1.394 20 0 EDADLP Cc1ccc(-c2nc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)co2)cc1 ZINC000580347038 322040777 /nfs/dbraw/zinc/04/07/77/322040777.db2.gz IYEDUPDICINIIE-HZPDHXFCSA-N 2 2 326.400 1.394 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000580462038 322055248 /nfs/dbraw/zinc/05/52/48/322055248.db2.gz OKYUAOYXVBBECA-QGZVFWFLSA-N 2 2 336.476 1.560 20 0 EDADLP Cn1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(-c2ccccc2)n1 ZINC000580881463 322107073 /nfs/dbraw/zinc/10/70/73/322107073.db2.gz UCYVFGNAJQHAFP-AWEZNQCLSA-N 2 2 328.420 1.194 20 0 EDADLP Cn1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(-c2ccccc2)n1 ZINC000580881463 322107076 /nfs/dbraw/zinc/10/70/76/322107076.db2.gz UCYVFGNAJQHAFP-AWEZNQCLSA-N 2 2 328.420 1.194 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccncc3O)CC2)CC1 ZINC000580960767 322118640 /nfs/dbraw/zinc/11/86/40/322118640.db2.gz CSQGNKNSFVLHOL-UHFFFAOYSA-N 2 2 332.448 1.344 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc[nH+]cc3O)CC2)CC1 ZINC000580960767 322118643 /nfs/dbraw/zinc/11/86/43/322118643.db2.gz CSQGNKNSFVLHOL-UHFFFAOYSA-N 3 2 332.448 1.344 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000581188941 322147325 /nfs/dbraw/zinc/14/73/25/322147325.db2.gz NEXDNBNTHSYECH-DOTOQJQBSA-N 2 2 332.492 1.465 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581979457 322239994 /nfs/dbraw/zinc/23/99/94/322239994.db2.gz BRVNRFGNQYPELD-LESCRADOSA-N 2 2 344.459 1.276 20 0 EDADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000342146557 444533827 /nfs/dbraw/zinc/53/38/27/444533827.db2.gz YAXOYFAVRSZFLN-ZDUSSCGKSA-N 2 2 330.432 1.611 20 0 EDADLP CO[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000343756840 444569237 /nfs/dbraw/zinc/56/92/37/444569237.db2.gz NXQNXHXOYHXBNI-BSLJZLGVSA-N 2 2 349.519 1.961 20 0 EDADLP CO[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000343756840 444569240 /nfs/dbraw/zinc/56/92/40/444569240.db2.gz NXQNXHXOYHXBNI-BSLJZLGVSA-N 2 2 349.519 1.961 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000338220303 444570156 /nfs/dbraw/zinc/57/01/56/444570156.db2.gz JBEXCWGIPLXJQZ-ZWKOTPCHSA-N 2 2 331.460 1.683 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000338220303 444570160 /nfs/dbraw/zinc/57/01/60/444570160.db2.gz JBEXCWGIPLXJQZ-ZWKOTPCHSA-N 2 2 331.460 1.683 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCSC[C@H]3CO)c2cc1C ZINC000343719573 444543378 /nfs/dbraw/zinc/54/33/78/444543378.db2.gz KVGFNCUVJLZLMJ-CABCVRRESA-N 2 2 335.473 1.424 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCSC[C@H]3CO)c2cc1C ZINC000343719573 444543382 /nfs/dbraw/zinc/54/33/82/444543382.db2.gz KVGFNCUVJLZLMJ-CABCVRRESA-N 2 2 335.473 1.424 20 0 EDADLP CC(C)[C@H](O)C1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000343722812 444546459 /nfs/dbraw/zinc/54/64/59/444546459.db2.gz ZOGMGPDZWZUKHW-INIZCTEOSA-N 2 2 340.512 1.109 20 0 EDADLP C[N@@H+]1CCCC12CCN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)CC2 ZINC000329460763 444589484 /nfs/dbraw/zinc/58/94/84/444589484.db2.gz SHCHLPMSLRNISP-UHFFFAOYSA-N 2 2 325.416 1.968 20 0 EDADLP C[N@H+]1CCCC12CCN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)CC2 ZINC000329460763 444589486 /nfs/dbraw/zinc/58/94/86/444589486.db2.gz SHCHLPMSLRNISP-UHFFFAOYSA-N 2 2 325.416 1.968 20 0 EDADLP COCc1noc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000329467392 444592218 /nfs/dbraw/zinc/59/22/18/444592218.db2.gz WEOLLQYWSFGZPA-UHFFFAOYSA-N 2 2 337.468 1.066 20 0 EDADLP Cc1ccc(CCC[NH+]2CCC([C@H]3OCC[C@H]3C(N)=O)CC2)c[nH+]1 ZINC000343842335 444621985 /nfs/dbraw/zinc/62/19/85/444621985.db2.gz APQAMNJAFYHQIV-QZTJIDSGSA-N 2 2 331.460 1.925 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000341042292 444648378 /nfs/dbraw/zinc/64/83/78/444648378.db2.gz BDPCXVFKRFZJEA-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000341115927 444682030 /nfs/dbraw/zinc/68/20/30/444682030.db2.gz DZCATEBEQAXWFV-RDJZCZTQSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000341115927 444682034 /nfs/dbraw/zinc/68/20/34/444682034.db2.gz DZCATEBEQAXWFV-RDJZCZTQSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341115927 444682037 /nfs/dbraw/zinc/68/20/37/444682037.db2.gz DZCATEBEQAXWFV-RDJZCZTQSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341115927 444682042 /nfs/dbraw/zinc/68/20/42/444682042.db2.gz DZCATEBEQAXWFV-RDJZCZTQSA-N 2 2 338.496 1.271 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000333415466 444665926 /nfs/dbraw/zinc/66/59/26/444665926.db2.gz HFYLALYNZRBYQF-GOEBONIOSA-N 2 2 332.448 1.520 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000333415466 444665930 /nfs/dbraw/zinc/66/59/30/444665930.db2.gz HFYLALYNZRBYQF-GOEBONIOSA-N 2 2 332.448 1.520 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333880776 444707561 /nfs/dbraw/zinc/70/75/61/444707561.db2.gz WDJBXRRJFAQKGL-BSXFFOKHSA-N 2 2 339.443 1.737 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000341135615 444691520 /nfs/dbraw/zinc/69/15/20/444691520.db2.gz KTRJNRQCILFMDH-INIZCTEOSA-N 2 2 328.416 1.325 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000341135615 444691527 /nfs/dbraw/zinc/69/15/27/444691527.db2.gz KTRJNRQCILFMDH-INIZCTEOSA-N 2 2 328.416 1.325 20 0 EDADLP C[C@H]1C[NH+](CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000329858443 444743585 /nfs/dbraw/zinc/74/35/85/444743585.db2.gz OAUUWRZEKZGYTB-GJZGRUSLSA-N 2 2 334.464 1.690 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+]2CCC1CC2 ZINC000341254774 444750434 /nfs/dbraw/zinc/75/04/34/444750434.db2.gz BTQCWFXWDPFQOX-UHFFFAOYSA-N 2 2 339.443 1.921 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000334030958 444753708 /nfs/dbraw/zinc/75/37/08/444753708.db2.gz KXWYHZSDJWDVGV-ARFHVFGLSA-N 2 2 333.480 1.970 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000334030958 444753711 /nfs/dbraw/zinc/75/37/11/444753711.db2.gz KXWYHZSDJWDVGV-ARFHVFGLSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](C(=O)NCC1([NH3+])CCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000342614758 444777912 /nfs/dbraw/zinc/77/79/12/444777912.db2.gz FPVRLZLLDHUZLE-CQSZACIVSA-N 2 2 334.439 1.334 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338623452 444779557 /nfs/dbraw/zinc/77/95/57/444779557.db2.gz GVONRYQGKRNCGN-IBGZPJMESA-N 2 2 349.450 1.046 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338623452 444779561 /nfs/dbraw/zinc/77/95/61/444779561.db2.gz GVONRYQGKRNCGN-IBGZPJMESA-N 2 2 349.450 1.046 20 0 EDADLP CC[C@@H](C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[NH+](CC)CC ZINC000341330208 444781926 /nfs/dbraw/zinc/78/19/26/444781926.db2.gz LKWQEQYQISTFBB-CABCVRRESA-N 2 2 349.479 1.148 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]c(C)cc2C)C[C@H]1[NH+]1CCOCC1 ZINC000334107337 444782195 /nfs/dbraw/zinc/78/21/95/444782195.db2.gz ZAAOFLQXOYAQNA-FUHWJXTLSA-N 2 2 346.475 1.951 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000336864852 444810251 /nfs/dbraw/zinc/81/02/51/444810251.db2.gz SFYCIANDYSAQNV-KBPBESRZSA-N 2 2 336.461 1.873 20 0 EDADLP CC[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000338731585 444826513 /nfs/dbraw/zinc/82/65/13/444826513.db2.gz RIDNJVMHYVVPDV-MRXNPFEDSA-N 2 2 337.468 1.334 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000344210834 444841907 /nfs/dbraw/zinc/84/19/07/444841907.db2.gz LXAYPMBWATUHHJ-CRAIPNDOSA-N 3 2 332.492 1.408 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000344210834 444841908 /nfs/dbraw/zinc/84/19/08/444841908.db2.gz LXAYPMBWATUHHJ-CRAIPNDOSA-N 3 2 332.492 1.408 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000344254877 444865054 /nfs/dbraw/zinc/86/50/54/444865054.db2.gz ICABEGKBJMEQLR-IEBWSBKVSA-N 2 2 341.459 1.899 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000342798358 444871805 /nfs/dbraw/zinc/87/18/05/444871805.db2.gz UZKOIMHJNBGMNF-KRWDZBQOSA-N 2 2 333.480 1.404 20 0 EDADLP CO[C@@H](C)[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000341610161 444918910 /nfs/dbraw/zinc/91/89/10/444918910.db2.gz JIAXXDOCDZLIFH-VPEURPPWSA-N 2 2 338.496 1.362 20 0 EDADLP CO[C@@H](C)[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000341610161 444918917 /nfs/dbraw/zinc/91/89/17/444918917.db2.gz JIAXXDOCDZLIFH-VPEURPPWSA-N 2 2 338.496 1.362 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(CC[N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000337191053 444979678 /nfs/dbraw/zinc/97/96/78/444979678.db2.gz SZGBATGWUWLJGG-SFHVURJKSA-N 2 2 338.540 1.198 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(CC[N@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000337191053 444979683 /nfs/dbraw/zinc/97/96/83/444979683.db2.gz SZGBATGWUWLJGG-SFHVURJKSA-N 2 2 338.540 1.198 20 0 EDADLP NC(=O)c1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344517060 445027953 /nfs/dbraw/zinc/02/79/53/445027953.db2.gz QCPLUNGVDXSIBY-FQEVSTJZSA-N 2 2 339.439 1.512 20 0 EDADLP NC(=O)c1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344517060 445027956 /nfs/dbraw/zinc/02/79/56/445027956.db2.gz QCPLUNGVDXSIBY-FQEVSTJZSA-N 2 2 339.439 1.512 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2cc[nH+]c(N(C)C)n2)on1 ZINC000342986936 444990819 /nfs/dbraw/zinc/99/08/19/444990819.db2.gz DFVFSRRKNNCLJQ-STQMWFEESA-N 2 2 334.399 1.864 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2cc[nH+]c(N(C)C)n2)on1 ZINC000342986936 444990823 /nfs/dbraw/zinc/99/08/23/444990823.db2.gz DFVFSRRKNNCLJQ-STQMWFEESA-N 2 2 334.399 1.864 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337268906 445010095 /nfs/dbraw/zinc/01/00/95/445010095.db2.gz LDDFTEDOCHHWJH-NSHDSACASA-N 2 2 338.374 1.181 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337268906 445010099 /nfs/dbraw/zinc/01/00/99/445010099.db2.gz LDDFTEDOCHHWJH-NSHDSACASA-N 2 2 338.374 1.181 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000337272659 445010726 /nfs/dbraw/zinc/01/07/26/445010726.db2.gz ONHCHUWHFIKPHJ-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000337272659 445010730 /nfs/dbraw/zinc/01/07/30/445010730.db2.gz ONHCHUWHFIKPHJ-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000341898491 445059673 /nfs/dbraw/zinc/05/96/73/445059673.db2.gz GNYSHUZFTKWEKQ-HNNXBMFYSA-N 2 2 337.489 1.361 20 0 EDADLP C[C@@H](CC(N)=O)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000341899886 445061183 /nfs/dbraw/zinc/06/11/83/445061183.db2.gz ODNCLGFFDGSIKC-KRWDZBQOSA-N 2 2 332.492 1.438 20 0 EDADLP O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H]12 ZINC000341916383 445071062 /nfs/dbraw/zinc/07/10/62/445071062.db2.gz WHKZNBKAVZOTMW-UAFMIMERSA-N 2 2 330.472 1.980 20 0 EDADLP O[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H]12 ZINC000341916383 445071065 /nfs/dbraw/zinc/07/10/65/445071065.db2.gz WHKZNBKAVZOTMW-UAFMIMERSA-N 2 2 330.472 1.980 20 0 EDADLP O[C@@H]1CC[C@@H]2C[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@@H]12 ZINC000341916383 445071070 /nfs/dbraw/zinc/07/10/70/445071070.db2.gz WHKZNBKAVZOTMW-UAFMIMERSA-N 2 2 330.472 1.980 20 0 EDADLP O[C@@H]1CC[C@@H]2C[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@@H]12 ZINC000341916383 445071076 /nfs/dbraw/zinc/07/10/76/445071076.db2.gz WHKZNBKAVZOTMW-UAFMIMERSA-N 2 2 330.472 1.980 20 0 EDADLP C[C@@H]1CN(CC[N@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)CCO1 ZINC000337420134 445072798 /nfs/dbraw/zinc/07/27/98/445072798.db2.gz PNFXMXUDYHHWCW-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)CCO1 ZINC000337420134 445072803 /nfs/dbraw/zinc/07/28/03/445072803.db2.gz PNFXMXUDYHHWCW-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CCO1 ZINC000337420134 445072808 /nfs/dbraw/zinc/07/28/08/445072808.db2.gz PNFXMXUDYHHWCW-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CCO1 ZINC000337420134 445072812 /nfs/dbraw/zinc/07/28/12/445072812.db2.gz PNFXMXUDYHHWCW-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)N2CCOCC2)cc1 ZINC000343069608 445040700 /nfs/dbraw/zinc/04/07/00/445040700.db2.gz CNEIIHLMERJXOL-LZQZEXGQSA-N 2 2 333.476 1.608 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)N2CCOCC2)cc1 ZINC000343069608 445040704 /nfs/dbraw/zinc/04/07/04/445040704.db2.gz CNEIIHLMERJXOL-LZQZEXGQSA-N 2 2 333.476 1.608 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+](C)C1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339273212 445129956 /nfs/dbraw/zinc/12/99/56/445129956.db2.gz YFMXQVXFAOKLFW-SJORKVTESA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+](C)C1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339273212 445129958 /nfs/dbraw/zinc/12/99/58/445129958.db2.gz YFMXQVXFAOKLFW-SJORKVTESA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCO[C@H](CC)C1 ZINC000339273212 445129960 /nfs/dbraw/zinc/12/99/60/445129960.db2.gz YFMXQVXFAOKLFW-SJORKVTESA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCO[C@H](CC)C1 ZINC000339273212 445129963 /nfs/dbraw/zinc/12/99/63/445129963.db2.gz YFMXQVXFAOKLFW-SJORKVTESA-N 2 2 325.497 1.866 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+]1CCSCC1 ZINC000344733873 445138400 /nfs/dbraw/zinc/13/84/00/445138400.db2.gz WBTAOHCORFMRAQ-CABCVRRESA-N 2 2 325.522 1.757 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+]1CCSCC1 ZINC000344733873 445138404 /nfs/dbraw/zinc/13/84/04/445138404.db2.gz WBTAOHCORFMRAQ-CABCVRRESA-N 2 2 325.522 1.757 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432335 445138794 /nfs/dbraw/zinc/13/87/94/445138794.db2.gz JILDZKQNOIMCEK-DZGCQCFKSA-N 2 2 333.398 1.957 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432335 445138798 /nfs/dbraw/zinc/13/87/98/445138798.db2.gz JILDZKQNOIMCEK-DZGCQCFKSA-N 2 2 333.398 1.957 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432335 445138801 /nfs/dbraw/zinc/13/88/01/445138801.db2.gz JILDZKQNOIMCEK-DZGCQCFKSA-N 2 2 333.398 1.957 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432335 445138805 /nfs/dbraw/zinc/13/88/05/445138805.db2.gz JILDZKQNOIMCEK-DZGCQCFKSA-N 2 2 333.398 1.957 20 0 EDADLP CC[C@H](C(=O)NCCCNc1ccc(C)c[nH+]1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339223187 445097059 /nfs/dbraw/zinc/09/70/59/445097059.db2.gz JTRIJGZGOIHURA-DLBZAZTESA-N 2 2 348.491 2.198 20 0 EDADLP CC[C@H](C(=O)NCCCNc1ccc(C)c[nH+]1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339223187 445097062 /nfs/dbraw/zinc/09/70/62/445097062.db2.gz JTRIJGZGOIHURA-DLBZAZTESA-N 2 2 348.491 2.198 20 0 EDADLP C[N@H+](CCNC(=O)NCC[NH+]1CCOCC1(C)C)C1CCCCC1 ZINC000343150557 445098806 /nfs/dbraw/zinc/09/88/06/445098806.db2.gz KSHYFNZREJWPPR-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[N@@H+](CCNC(=O)NCC[NH+]1CCOCC1(C)C)C1CCCCC1 ZINC000343150557 445098810 /nfs/dbraw/zinc/09/88/10/445098810.db2.gz KSHYFNZREJWPPR-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](CCNC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CCCCC1 ZINC000343150557 445098813 /nfs/dbraw/zinc/09/88/13/445098813.db2.gz KSHYFNZREJWPPR-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](CCNC(=O)NCC[N@H+]1CCOCC1(C)C)C1CCCCC1 ZINC000343150557 445098819 /nfs/dbraw/zinc/09/88/19/445098819.db2.gz KSHYFNZREJWPPR-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)c1nnc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000344640931 445099415 /nfs/dbraw/zinc/09/94/15/445099415.db2.gz OEBQTSKOKFDRAJ-UHFFFAOYSA-N 2 2 347.492 1.493 20 0 EDADLP CC[C@H](C(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339261291 445121281 /nfs/dbraw/zinc/12/12/81/445121281.db2.gz XZUHMMIXOBJVCC-DLBZAZTESA-N 2 2 341.496 1.104 20 0 EDADLP CC[C@H](C(=O)NCCCC[NH+]1CCOCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339261291 445121283 /nfs/dbraw/zinc/12/12/83/445121283.db2.gz XZUHMMIXOBJVCC-DLBZAZTESA-N 2 2 341.496 1.104 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345301667 445178900 /nfs/dbraw/zinc/17/89/00/445178900.db2.gz TVNZMHUADYMSQY-JJTUDDRGSA-N 2 2 325.497 1.719 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345301667 445178905 /nfs/dbraw/zinc/17/89/05/445178905.db2.gz TVNZMHUADYMSQY-JJTUDDRGSA-N 2 2 325.497 1.719 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345301667 445178909 /nfs/dbraw/zinc/17/89/09/445178909.db2.gz TVNZMHUADYMSQY-JJTUDDRGSA-N 2 2 325.497 1.719 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345301667 445178912 /nfs/dbraw/zinc/17/89/12/445178912.db2.gz TVNZMHUADYMSQY-JJTUDDRGSA-N 2 2 325.497 1.719 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000345073739 445160467 /nfs/dbraw/zinc/16/04/67/445160467.db2.gz OKCVDCFHTCFSOU-IXDOHACOSA-N 2 2 330.476 1.954 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345073739 445160472 /nfs/dbraw/zinc/16/04/72/445160472.db2.gz OKCVDCFHTCFSOU-IXDOHACOSA-N 2 2 330.476 1.954 20 0 EDADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C[C@@H](C)C1 ZINC000346242148 445209061 /nfs/dbraw/zinc/20/90/61/445209061.db2.gz RKSFQSXQIQTJLF-NBMJBFSESA-N 2 2 349.519 1.676 20 0 EDADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C[C@@H](C)C1 ZINC000346242148 445209063 /nfs/dbraw/zinc/20/90/63/445209063.db2.gz RKSFQSXQIQTJLF-NBMJBFSESA-N 2 2 349.519 1.676 20 0 EDADLP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@@H](C)C1 ZINC000346242148 445209066 /nfs/dbraw/zinc/20/90/66/445209066.db2.gz RKSFQSXQIQTJLF-NBMJBFSESA-N 2 2 349.519 1.676 20 0 EDADLP CSC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346936983 445228285 /nfs/dbraw/zinc/22/82/85/445228285.db2.gz SHVOMRIEUSLSBL-IIAWOOMASA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346936983 445228287 /nfs/dbraw/zinc/22/82/87/445228287.db2.gz SHVOMRIEUSLSBL-IIAWOOMASA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346936983 445228288 /nfs/dbraw/zinc/22/82/88/445228288.db2.gz SHVOMRIEUSLSBL-IIAWOOMASA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346936983 445228290 /nfs/dbraw/zinc/22/82/90/445228290.db2.gz SHVOMRIEUSLSBL-IIAWOOMASA-N 2 2 326.510 1.459 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000343497227 445234165 /nfs/dbraw/zinc/23/41/65/445234165.db2.gz KRWXYIVBVBHIIZ-VQIMIIECSA-N 3 2 344.503 1.504 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000343497227 445234167 /nfs/dbraw/zinc/23/41/67/445234167.db2.gz KRWXYIVBVBHIIZ-VQIMIIECSA-N 3 2 344.503 1.504 20 0 EDADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000347858348 445251075 /nfs/dbraw/zinc/25/10/75/445251075.db2.gz HBTAQFOLHZCJCW-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000347858348 445251079 /nfs/dbraw/zinc/25/10/79/445251079.db2.gz HBTAQFOLHZCJCW-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP CCCCNc1cc(N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)nc(N)[nH+]1 ZINC000347908600 445255272 /nfs/dbraw/zinc/25/52/72/445255272.db2.gz XUXGLMXOYHIWHM-GJZGRUSLSA-N 2 2 348.495 1.960 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)s1 ZINC000348356328 445265442 /nfs/dbraw/zinc/26/54/42/445265442.db2.gz MSBLGWCNOPUWRS-INIZCTEOSA-N 2 2 325.478 1.975 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)s1 ZINC000348356328 445265446 /nfs/dbraw/zinc/26/54/46/445265446.db2.gz MSBLGWCNOPUWRS-INIZCTEOSA-N 2 2 325.478 1.975 20 0 EDADLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000354609045 445312631 /nfs/dbraw/zinc/31/26/31/445312631.db2.gz VXPBQECIVQTOLB-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000354609045 445312634 /nfs/dbraw/zinc/31/26/34/445312634.db2.gz VXPBQECIVQTOLB-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](CNC(=O)[C@H]1COCC[NH+]1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000354609045 445312635 /nfs/dbraw/zinc/31/26/35/445312635.db2.gz VXPBQECIVQTOLB-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](CNC(=O)[C@H]1COCC[NH+]1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000354609045 445312638 /nfs/dbraw/zinc/31/26/38/445312638.db2.gz VXPBQECIVQTOLB-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1cc(C[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nn1C ZINC000348127692 445283241 /nfs/dbraw/zinc/28/32/41/445283241.db2.gz YCUUULSCACZELV-GOEBONIOSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1cc(C[N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nn1C ZINC000348127692 445283244 /nfs/dbraw/zinc/28/32/44/445283244.db2.gz YCUUULSCACZELV-GOEBONIOSA-N 2 2 334.443 1.506 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2ccn(C)n2)cc[nH+]1 ZINC000348165764 445298270 /nfs/dbraw/zinc/29/82/70/445298270.db2.gz IVMNZJBDSXXFIY-ZFWWWQNUSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2ccn(C)n2)cc[nH+]1 ZINC000348165764 445298271 /nfs/dbraw/zinc/29/82/71/445298271.db2.gz IVMNZJBDSXXFIY-ZFWWWQNUSA-N 2 2 347.442 1.325 20 0 EDADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000354686458 445340420 /nfs/dbraw/zinc/34/04/20/445340420.db2.gz ZZKQRJITTMVDCJ-CQSZACIVSA-N 2 2 345.378 1.208 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n(-c2ccccc2F)n1 ZINC000351854300 445343953 /nfs/dbraw/zinc/34/39/53/445343953.db2.gz QFHRNYPITVJNLJ-KBPBESRZSA-N 2 2 345.422 1.927 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n(-c2ccccc2F)n1 ZINC000351854300 445343955 /nfs/dbraw/zinc/34/39/55/445343955.db2.gz QFHRNYPITVJNLJ-KBPBESRZSA-N 2 2 345.422 1.927 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@H]1C[C@@H](OC)C[NH+]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000348707048 445350317 /nfs/dbraw/zinc/35/03/17/445350317.db2.gz VZTJYGZBEGBARJ-QBPKDAKJSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@H]1C[C@@H](OC)C[NH+]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000348707048 445350319 /nfs/dbraw/zinc/35/03/19/445350319.db2.gz VZTJYGZBEGBARJ-QBPKDAKJSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@H]1C[C@@H](OC)C[N@@H+]1C)[NH+]1CCO[C@H](CC)C1 ZINC000348707048 445350320 /nfs/dbraw/zinc/35/03/20/445350320.db2.gz VZTJYGZBEGBARJ-QBPKDAKJSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@H]1C[C@@H](OC)C[N@H+]1C)[NH+]1CCO[C@H](CC)C1 ZINC000348707048 445350321 /nfs/dbraw/zinc/35/03/21/445350321.db2.gz VZTJYGZBEGBARJ-QBPKDAKJSA-N 2 2 341.496 1.053 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357082695 445415250 /nfs/dbraw/zinc/41/52/50/445415250.db2.gz OXZIJXLWDLSAEX-HZPDHXFCSA-N 2 2 347.459 1.204 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357082695 445415252 /nfs/dbraw/zinc/41/52/52/445415252.db2.gz OXZIJXLWDLSAEX-HZPDHXFCSA-N 2 2 347.459 1.204 20 0 EDADLP COCCO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000362509495 445417910 /nfs/dbraw/zinc/41/79/10/445417910.db2.gz ITXRDRBLIGFIAL-IAGOWNOFSA-N 2 2 335.448 1.461 20 0 EDADLP C[C@@H](C[NH2+][C@@H](c1nccn1C)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000357023469 445381074 /nfs/dbraw/zinc/38/10/74/445381074.db2.gz IUINUKJGLYOMHA-MAUKXSAKSA-N 2 2 345.466 1.874 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000351931852 445383023 /nfs/dbraw/zinc/38/30/23/445383023.db2.gz URRUECDONNOCFI-CQSZACIVSA-N 2 2 333.436 1.407 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000351931852 445383026 /nfs/dbraw/zinc/38/30/26/445383026.db2.gz URRUECDONNOCFI-CQSZACIVSA-N 2 2 333.436 1.407 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2COCC[C@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000362449010 445387526 /nfs/dbraw/zinc/38/75/26/445387526.db2.gz NUPJYJXTCDBHPI-SJLPKXTDSA-N 2 2 347.459 1.425 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2COCC[C@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000362449010 445387531 /nfs/dbraw/zinc/38/75/31/445387531.db2.gz NUPJYJXTCDBHPI-SJLPKXTDSA-N 2 2 347.459 1.425 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)[NH+](C)C ZINC000351953818 445397452 /nfs/dbraw/zinc/39/74/52/445397452.db2.gz LXQHABPOBJVRHD-SOUVJXGZSA-N 2 2 339.459 1.131 20 0 EDADLP COc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000359734549 445398516 /nfs/dbraw/zinc/39/85/16/445398516.db2.gz JXRCVOORALSEKP-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP COc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000359734549 445398520 /nfs/dbraw/zinc/39/85/20/445398520.db2.gz JXRCVOORALSEKP-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP O=C(C[N@@H+]1CCO[C@@H](C2CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000362563169 445441121 /nfs/dbraw/zinc/44/11/21/445441121.db2.gz WOLUYHYPFDBYLY-LJQANCHMSA-N 2 2 343.471 1.442 20 0 EDADLP O=C(C[N@H+]1CCO[C@@H](C2CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000362563169 445441127 /nfs/dbraw/zinc/44/11/27/445441127.db2.gz WOLUYHYPFDBYLY-LJQANCHMSA-N 2 2 343.471 1.442 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355101828 445444347 /nfs/dbraw/zinc/44/43/47/445444347.db2.gz ISINOOHHAZTCJR-HZPDHXFCSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355101828 445444350 /nfs/dbraw/zinc/44/43/50/445444350.db2.gz ISINOOHHAZTCJR-HZPDHXFCSA-N 3 2 339.528 1.137 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3cccnc3)cn2)CC1 ZINC000348936342 445448475 /nfs/dbraw/zinc/44/84/75/445448475.db2.gz SSOZEHPEQLIWHU-GOSISDBHSA-N 2 2 338.459 1.961 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3cccnc3)cn2)CC1 ZINC000348936342 445448479 /nfs/dbraw/zinc/44/84/79/445448479.db2.gz SSOZEHPEQLIWHU-GOSISDBHSA-N 2 2 338.459 1.961 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000348973350 445462219 /nfs/dbraw/zinc/46/22/19/445462219.db2.gz USRXQGXQVGEKNN-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000348973350 445462224 /nfs/dbraw/zinc/46/22/24/445462224.db2.gz USRXQGXQVGEKNN-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000348983866 445465597 /nfs/dbraw/zinc/46/55/97/445465597.db2.gz ZSIDLPMANHLJFJ-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000348983866 445465598 /nfs/dbraw/zinc/46/55/98/445465598.db2.gz ZSIDLPMANHLJFJ-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000355913568 445528674 /nfs/dbraw/zinc/52/86/74/445528674.db2.gz GOGPTFCVMIPMLQ-CYBMUJFWSA-N 2 2 338.477 1.569 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000355913568 445528677 /nfs/dbraw/zinc/52/86/77/445528677.db2.gz GOGPTFCVMIPMLQ-CYBMUJFWSA-N 2 2 338.477 1.569 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000355913568 445528680 /nfs/dbraw/zinc/52/86/80/445528680.db2.gz GOGPTFCVMIPMLQ-CYBMUJFWSA-N 2 2 338.477 1.569 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000355913568 445528683 /nfs/dbraw/zinc/52/86/83/445528683.db2.gz GOGPTFCVMIPMLQ-CYBMUJFWSA-N 2 2 338.477 1.569 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCO[C@H](CC)C1 ZINC000359925669 445491446 /nfs/dbraw/zinc/49/14/46/445491446.db2.gz SNBTUCHDOIATSS-HZPDHXFCSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCO[C@H](CC)C1 ZINC000359925669 445491451 /nfs/dbraw/zinc/49/14/51/445491451.db2.gz SNBTUCHDOIATSS-HZPDHXFCSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000359925669 445491455 /nfs/dbraw/zinc/49/14/55/445491455.db2.gz SNBTUCHDOIATSS-HZPDHXFCSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000359925669 445491461 /nfs/dbraw/zinc/49/14/61/445491461.db2.gz SNBTUCHDOIATSS-HZPDHXFCSA-N 2 2 328.501 1.517 20 0 EDADLP Cc1c(CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000362677862 445495041 /nfs/dbraw/zinc/49/50/41/445495041.db2.gz WLKSSIHJCDJRQR-GOSISDBHSA-N 2 2 347.507 1.288 20 0 EDADLP Cc1c(CCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000362677862 445495045 /nfs/dbraw/zinc/49/50/45/445495045.db2.gz WLKSSIHJCDJRQR-GOSISDBHSA-N 2 2 347.507 1.288 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362811059 445560020 /nfs/dbraw/zinc/56/00/20/445560020.db2.gz KQAWDVSLVWSLTG-DLBZAZTESA-N 2 2 346.475 1.525 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000362811059 445560022 /nfs/dbraw/zinc/56/00/22/445560022.db2.gz KQAWDVSLVWSLTG-DLBZAZTESA-N 2 2 346.475 1.525 20 0 EDADLP C[C@H]1CN(Cc2c(Cl)cnn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349315673 445561461 /nfs/dbraw/zinc/56/14/61/445561461.db2.gz MFMWIJWMJDTRQZ-ZDUSSCGKSA-N 2 2 325.888 1.674 20 0 EDADLP C[C@H]1CN(Cc2c(Cl)cnn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349315673 445561464 /nfs/dbraw/zinc/56/14/64/445561464.db2.gz MFMWIJWMJDTRQZ-ZDUSSCGKSA-N 2 2 325.888 1.674 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000362826378 445567775 /nfs/dbraw/zinc/56/77/75/445567775.db2.gz NJYNKSXASNROTN-HNNXBMFYSA-N 2 2 337.851 1.615 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000362826378 445567778 /nfs/dbraw/zinc/56/77/78/445567778.db2.gz NJYNKSXASNROTN-HNNXBMFYSA-N 2 2 337.851 1.615 20 0 EDADLP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826829 445569082 /nfs/dbraw/zinc/56/90/82/445569082.db2.gz PYTBSLUJEXBXGV-GOSISDBHSA-N 2 2 345.487 1.969 20 0 EDADLP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826829 445569086 /nfs/dbraw/zinc/56/90/86/445569086.db2.gz PYTBSLUJEXBXGV-GOSISDBHSA-N 2 2 345.487 1.969 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000357599549 445569744 /nfs/dbraw/zinc/56/97/44/445569744.db2.gz NERWBAFVMCMPNY-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000357599549 445569748 /nfs/dbraw/zinc/56/97/48/445569748.db2.gz NERWBAFVMCMPNY-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000357599549 445569752 /nfs/dbraw/zinc/56/97/52/445569752.db2.gz NERWBAFVMCMPNY-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000357599549 445569754 /nfs/dbraw/zinc/56/97/54/445569754.db2.gz NERWBAFVMCMPNY-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836042 445573971 /nfs/dbraw/zinc/57/39/71/445573971.db2.gz CWAJYWYFLDWTLI-OAHLLOKOSA-N 2 2 339.443 1.334 20 0 EDADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362836042 445573975 /nfs/dbraw/zinc/57/39/75/445573975.db2.gz CWAJYWYFLDWTLI-OAHLLOKOSA-N 2 2 339.443 1.334 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccn(C)n1 ZINC000349450230 445590544 /nfs/dbraw/zinc/59/05/44/445590544.db2.gz HACSJNUGMNFDGA-MRXNPFEDSA-N 2 2 328.464 1.808 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000362856368 445583071 /nfs/dbraw/zinc/58/30/71/445583071.db2.gz RCAGNSQBVAMWCG-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000362856368 445583077 /nfs/dbraw/zinc/58/30/77/445583077.db2.gz RCAGNSQBVAMWCG-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000362856368 445583080 /nfs/dbraw/zinc/58/30/80/445583080.db2.gz RCAGNSQBVAMWCG-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000362856368 445583083 /nfs/dbraw/zinc/58/30/83/445583083.db2.gz RCAGNSQBVAMWCG-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000362774556 445544206 /nfs/dbraw/zinc/54/42/06/445544206.db2.gz LLBYSEXXLUGYRF-QGZVFWFLSA-N 2 2 346.475 1.819 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000362774556 445544211 /nfs/dbraw/zinc/54/42/11/445544211.db2.gz LLBYSEXXLUGYRF-QGZVFWFLSA-N 2 2 346.475 1.819 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000362774556 445544214 /nfs/dbraw/zinc/54/42/14/445544214.db2.gz LLBYSEXXLUGYRF-QGZVFWFLSA-N 2 2 346.475 1.819 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000362774556 445544215 /nfs/dbraw/zinc/54/42/15/445544215.db2.gz LLBYSEXXLUGYRF-QGZVFWFLSA-N 2 2 346.475 1.819 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362974850 445634681 /nfs/dbraw/zinc/63/46/81/445634681.db2.gz ARVDQEXOUXYEEZ-CQSZACIVSA-N 2 2 330.436 1.797 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000362974850 445634687 /nfs/dbraw/zinc/63/46/87/445634687.db2.gz ARVDQEXOUXYEEZ-CQSZACIVSA-N 2 2 330.436 1.797 20 0 EDADLP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000356061607 445596684 /nfs/dbraw/zinc/59/66/84/445596684.db2.gz KKJWPCLGZGCIQE-PBHICJAKSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000356061607 445596690 /nfs/dbraw/zinc/59/66/90/445596690.db2.gz KKJWPCLGZGCIQE-PBHICJAKSA-N 2 2 328.416 1.399 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NCC3([NH+](C)C)CCOCC3)cc2n1C ZINC000356145509 445645908 /nfs/dbraw/zinc/64/59/08/445645908.db2.gz FKTJPZHBUIGTAG-UHFFFAOYSA-N 2 2 330.432 1.722 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@@H+]1C ZINC000356157013 445653453 /nfs/dbraw/zinc/65/34/53/445653453.db2.gz BWMBSYHUAQDNIB-SFHVURJKSA-N 2 2 346.475 1.326 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@H+]1C ZINC000356157013 445653457 /nfs/dbraw/zinc/65/34/57/445653457.db2.gz BWMBSYHUAQDNIB-SFHVURJKSA-N 2 2 346.475 1.326 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000360266154 445666480 /nfs/dbraw/zinc/66/64/80/445666480.db2.gz HXLPZTYLTRANNX-INIZCTEOSA-N 2 2 328.501 1.471 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)([NH+](C)C)C1 ZINC000356185597 445667376 /nfs/dbraw/zinc/66/73/76/445667376.db2.gz FDTRYRVVPFDRCH-RYRKJORJSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)([NH+](C)C)C1 ZINC000356185597 445667381 /nfs/dbraw/zinc/66/73/81/445667381.db2.gz FDTRYRVVPFDRCH-RYRKJORJSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000356178142 445663110 /nfs/dbraw/zinc/66/31/10/445663110.db2.gz CMJQPDILWFURNW-AEFFLSMTSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000356178142 445663113 /nfs/dbraw/zinc/66/31/13/445663113.db2.gz CMJQPDILWFURNW-AEFFLSMTSA-N 2 2 348.491 1.179 20 0 EDADLP Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363344588 445773446 /nfs/dbraw/zinc/77/34/46/445773446.db2.gz JJGMQOBLFPCVRO-KRWDZBQOSA-N 2 2 330.476 1.963 20 0 EDADLP Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363344588 445773447 /nfs/dbraw/zinc/77/34/47/445773447.db2.gz JJGMQOBLFPCVRO-KRWDZBQOSA-N 2 2 330.476 1.963 20 0 EDADLP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H](O)C(F)(F)F ZINC000360952413 445740741 /nfs/dbraw/zinc/74/07/41/445740741.db2.gz ZZEAQHNMNZSYLI-GXTWGEPZSA-N 2 2 340.386 1.695 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H](C)[NH+]1C ZINC000358758220 445759938 /nfs/dbraw/zinc/75/99/38/445759938.db2.gz PFHYDYKLNAIVIP-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H](C)[NH+]1C ZINC000358758220 445759956 /nfs/dbraw/zinc/75/99/56/445759956.db2.gz PFHYDYKLNAIVIP-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH2+]C[C@@H]3CCCn4cc[nH+]c43)C2=O)n(C)n1 ZINC000361450988 445767838 /nfs/dbraw/zinc/76/78/38/445767838.db2.gz QUJDXKRJJLAKLA-UONOGXRCSA-N 2 2 328.420 1.198 20 0 EDADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1(C)C ZINC000353949130 445823337 /nfs/dbraw/zinc/82/33/37/445823337.db2.gz ZUJWFWOJZRKCIU-SLWULYJLSA-N 2 2 337.508 1.719 20 0 EDADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1(C)C ZINC000353949130 445823340 /nfs/dbraw/zinc/82/33/40/445823340.db2.gz ZUJWFWOJZRKCIU-SLWULYJLSA-N 2 2 337.508 1.719 20 0 EDADLP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1(C)C ZINC000353947625 445823426 /nfs/dbraw/zinc/82/34/26/445823426.db2.gz NSJTUOMTBKTFAQ-QHEDDYRISA-N 2 2 337.508 1.863 20 0 EDADLP CCO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1(C)C ZINC000353947625 445823429 /nfs/dbraw/zinc/82/34/29/445823429.db2.gz NSJTUOMTBKTFAQ-QHEDDYRISA-N 2 2 337.508 1.863 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(c3cc(Cl)nc(N)n3)CC2)CC1 ZINC000363400157 445788558 /nfs/dbraw/zinc/78/85/58/445788558.db2.gz HEJMCSLXOIZROL-UHFFFAOYSA-N 2 2 338.887 1.709 20 0 EDADLP c1ccc(N2CCC[C@H](Nc3cc[nH+]c(N4CCOCC4)n3)C2)[nH+]c1 ZINC000363986060 445889066 /nfs/dbraw/zinc/88/90/66/445889066.db2.gz LRFZAFUJTYYAPQ-HNNXBMFYSA-N 2 2 340.431 1.789 20 0 EDADLP CN(C(=O)CC(C)(C)O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000350683439 445879351 /nfs/dbraw/zinc/87/93/51/445879351.db2.gz GRPKDTOFKUFZND-SJORKVTESA-N 2 2 339.524 1.943 20 0 EDADLP CN(C(=O)CC(C)(C)O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000350683439 445879356 /nfs/dbraw/zinc/87/93/56/445879356.db2.gz GRPKDTOFKUFZND-SJORKVTESA-N 2 2 339.524 1.943 20 0 EDADLP CC(C)Cn1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000361701874 445885161 /nfs/dbraw/zinc/88/51/61/445885161.db2.gz KEFLYCDNVLGFGG-UHFFFAOYSA-N 2 2 336.484 1.687 20 0 EDADLP COCCC1(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCC1 ZINC000354073889 445887040 /nfs/dbraw/zinc/88/70/40/445887040.db2.gz FOFSSQVPCVLXQA-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000353973891 445835425 /nfs/dbraw/zinc/83/54/25/445835425.db2.gz QZILYJXKTRRNPS-DYVFJYSZSA-N 2 2 327.428 1.745 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000353973891 445835428 /nfs/dbraw/zinc/83/54/28/445835428.db2.gz QZILYJXKTRRNPS-DYVFJYSZSA-N 2 2 327.428 1.745 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000350489663 445838066 /nfs/dbraw/zinc/83/80/66/445838066.db2.gz YBEIEBGFWXOZCG-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC(C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000356530088 445843630 /nfs/dbraw/zinc/84/36/30/445843630.db2.gz BFVODFUCZOUPBZ-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP [NH3+]Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)ccn1 ZINC000361609252 445845781 /nfs/dbraw/zinc/84/57/81/445845781.db2.gz IIRFIUPHLPETEK-UHFFFAOYSA-N 2 2 325.416 1.856 20 0 EDADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccn1 ZINC000361623166 445852351 /nfs/dbraw/zinc/85/23/51/445852351.db2.gz TUZRQNMVKUDQRV-UHFFFAOYSA-N 2 2 340.427 1.377 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1cccc(O)c1 ZINC000369119048 445939682 /nfs/dbraw/zinc/93/96/82/445939682.db2.gz XIFDXIDOQSHJMS-QAPCUYQASA-N 2 2 347.459 1.366 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000361717962 445896152 /nfs/dbraw/zinc/89/61/52/445896152.db2.gz KMLBDBRQLYHDJS-BBWFWOEESA-N 2 2 335.492 1.668 20 0 EDADLP C[C@@H](CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1)n1cc[nH+]c1 ZINC000582305410 325817874 /nfs/dbraw/zinc/81/78/74/325817874.db2.gz YYMZQLKQTQBFEH-INIZCTEOSA-N 2 2 334.464 1.938 20 0 EDADLP COC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000354116422 445916216 /nfs/dbraw/zinc/91/62/16/445916216.db2.gz AHOCVEQAEWFPTB-LJQANCHMSA-N 2 2 345.487 1.689 20 0 EDADLP COC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000354116422 445916219 /nfs/dbraw/zinc/91/62/19/445916219.db2.gz AHOCVEQAEWFPTB-LJQANCHMSA-N 2 2 345.487 1.689 20 0 EDADLP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372923772 445923644 /nfs/dbraw/zinc/92/36/44/445923644.db2.gz HPEUVNWITPEWAB-HOTGVXAUSA-N 2 2 344.415 1.810 20 0 EDADLP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372923772 445923653 /nfs/dbraw/zinc/92/36/53/445923653.db2.gz HPEUVNWITPEWAB-HOTGVXAUSA-N 2 2 344.415 1.810 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)n1 ZINC000372977753 445954558 /nfs/dbraw/zinc/95/45/58/445954558.db2.gz LKNFONOGGQRYRK-KSSFIOAISA-N 2 2 329.448 1.996 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)n1 ZINC000372977753 445954563 /nfs/dbraw/zinc/95/45/63/445954563.db2.gz LKNFONOGGQRYRK-KSSFIOAISA-N 2 2 329.448 1.996 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3cn4cccnc4n3)CC2)CC1 ZINC000369157563 445959797 /nfs/dbraw/zinc/95/97/97/445959797.db2.gz SVVQBMBSAJMKAG-UHFFFAOYSA-N 2 2 342.491 1.721 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000372992212 445963714 /nfs/dbraw/zinc/96/37/14/445963714.db2.gz XCFXBSCQEXSLGV-INIZCTEOSA-N 2 2 325.403 1.997 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000372992212 445963720 /nfs/dbraw/zinc/96/37/20/445963720.db2.gz XCFXBSCQEXSLGV-INIZCTEOSA-N 2 2 325.403 1.997 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000373015799 445977388 /nfs/dbraw/zinc/97/73/88/445977388.db2.gz SXMCVJNMAVHBSX-CVEARBPZSA-N 2 2 349.479 1.420 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000373015799 445977389 /nfs/dbraw/zinc/97/73/89/445977389.db2.gz SXMCVJNMAVHBSX-CVEARBPZSA-N 2 2 349.479 1.420 20 0 EDADLP CC(C)n1cnc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000369190610 445980787 /nfs/dbraw/zinc/98/07/87/445980787.db2.gz ZWKZHGAETDZJEV-HNNXBMFYSA-N 2 2 333.480 1.705 20 0 EDADLP CC(C)n1cnc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000369190610 445980791 /nfs/dbraw/zinc/98/07/91/445980791.db2.gz ZWKZHGAETDZJEV-HNNXBMFYSA-N 2 2 333.480 1.705 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnn3CC(F)F)C2)CC1 ZINC000366049898 445982646 /nfs/dbraw/zinc/98/26/46/445982646.db2.gz BFUMTHAVSWQAMO-LBPRGKRZSA-N 2 2 341.406 1.047 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnn3CC(F)F)C2)CC1 ZINC000366049898 445982653 /nfs/dbraw/zinc/98/26/53/445982653.db2.gz BFUMTHAVSWQAMO-LBPRGKRZSA-N 2 2 341.406 1.047 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366076435 445996873 /nfs/dbraw/zinc/99/68/73/445996873.db2.gz GJBQHRPOXBOQGO-ZBFHGGJFSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366076435 445996876 /nfs/dbraw/zinc/99/68/76/445996876.db2.gz GJBQHRPOXBOQGO-ZBFHGGJFSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)[N@H+]1CCO ZINC000366117784 446023741 /nfs/dbraw/zinc/02/37/41/446023741.db2.gz IHWUOMGCOPXBLG-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[C@H](C)[N@@H+]1CCO ZINC000366117784 446023745 /nfs/dbraw/zinc/02/37/45/446023745.db2.gz IHWUOMGCOPXBLG-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@H](C)[NH+]1CCO ZINC000366117784 446023755 /nfs/dbraw/zinc/02/37/55/446023755.db2.gz IHWUOMGCOPXBLG-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@H](C)[NH+]1CCO ZINC000366117784 446023761 /nfs/dbraw/zinc/02/37/61/446023761.db2.gz IHWUOMGCOPXBLG-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP CC(C)(C)c1noc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000373114227 446036390 /nfs/dbraw/zinc/03/63/90/446036390.db2.gz ZIQKLMUSDBPQRU-UHFFFAOYSA-N 2 2 338.452 1.026 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000356773815 446003934 /nfs/dbraw/zinc/00/39/34/446003934.db2.gz PGOPLPWAKZJEKG-QGZVFWFLSA-N 2 2 341.496 1.104 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000356773815 446003940 /nfs/dbraw/zinc/00/39/40/446003940.db2.gz PGOPLPWAKZJEKG-QGZVFWFLSA-N 2 2 341.496 1.104 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@H]1C ZINC000354219013 446012628 /nfs/dbraw/zinc/01/26/28/446012628.db2.gz CHGNAYUFXUTWDE-VSZNYVQBSA-N 2 2 337.508 1.961 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@H]1C ZINC000354219013 446012641 /nfs/dbraw/zinc/01/26/41/446012641.db2.gz CHGNAYUFXUTWDE-VSZNYVQBSA-N 2 2 337.508 1.961 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@H]1C ZINC000354219013 446012648 /nfs/dbraw/zinc/01/26/48/446012648.db2.gz CHGNAYUFXUTWDE-VSZNYVQBSA-N 2 2 337.508 1.961 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@H]1C ZINC000354219013 446012656 /nfs/dbraw/zinc/01/26/56/446012656.db2.gz CHGNAYUFXUTWDE-VSZNYVQBSA-N 2 2 337.508 1.961 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@@H](C)O1 ZINC000583125007 326005100 /nfs/dbraw/zinc/00/51/00/326005100.db2.gz LVFJHZAEOCTZHS-NWHWRWDZSA-N 2 2 326.481 1.250 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000583193765 326022813 /nfs/dbraw/zinc/02/28/13/326022813.db2.gz OJKHZNRLBYTDOB-DOTOQJQBSA-N 2 2 346.475 1.835 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366167410 446055151 /nfs/dbraw/zinc/05/51/51/446055151.db2.gz DYUQJGJMIBKMBT-KRWDZBQOSA-N 2 2 338.496 1.413 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366167410 446055154 /nfs/dbraw/zinc/05/51/54/446055154.db2.gz DYUQJGJMIBKMBT-KRWDZBQOSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccc(CCC[NH+]2CCC(C(=O)N3CCOCC3)CC2)c[nH+]1 ZINC000351412227 446060804 /nfs/dbraw/zinc/06/08/04/446060804.db2.gz LTJYAKLSXZAXGW-UHFFFAOYSA-N 2 2 331.460 1.893 20 0 EDADLP CN(c1[nH+]cnc2[nH]ccc21)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000365186315 446069944 /nfs/dbraw/zinc/06/99/44/446069944.db2.gz IUQJOKZOSSOCJB-UHFFFAOYSA-N 2 2 342.447 1.481 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487495 446087685 /nfs/dbraw/zinc/08/76/85/446087685.db2.gz BBAWIQQPGUZRRF-GOEBONIOSA-N 2 2 325.497 1.316 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487495 446087691 /nfs/dbraw/zinc/08/76/91/446087691.db2.gz BBAWIQQPGUZRRF-GOEBONIOSA-N 2 2 325.497 1.316 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487495 446087697 /nfs/dbraw/zinc/08/76/97/446087697.db2.gz BBAWIQQPGUZRRF-GOEBONIOSA-N 2 2 325.497 1.316 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487495 446087704 /nfs/dbraw/zinc/08/77/04/446087704.db2.gz BBAWIQQPGUZRRF-GOEBONIOSA-N 2 2 325.497 1.316 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C2 ZINC000369328611 446077649 /nfs/dbraw/zinc/07/76/49/446077649.db2.gz DXBIVRGGHFCLBG-QGZVFWFLSA-N 2 2 345.422 1.930 20 0 EDADLP CN(C(=O)c1cc(Cl)ccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365220716 446085585 /nfs/dbraw/zinc/08/55/85/446085585.db2.gz FUJJYGWKNGXVCD-OAHLLOKOSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1cc(Cl)ccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365220716 446085589 /nfs/dbraw/zinc/08/55/89/446085589.db2.gz FUJJYGWKNGXVCD-OAHLLOKOSA-N 2 2 336.867 1.976 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000366302678 446138607 /nfs/dbraw/zinc/13/86/07/446138607.db2.gz DRYVHOUGZPVHKS-GOSISDBHSA-N 2 2 337.508 1.961 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000366302678 446138609 /nfs/dbraw/zinc/13/86/09/446138609.db2.gz DRYVHOUGZPVHKS-GOSISDBHSA-N 2 2 337.508 1.961 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000366220846 446089885 /nfs/dbraw/zinc/08/98/85/446089885.db2.gz WCTSCGHLPFGFPT-RRQGHBQHSA-N 2 2 328.420 1.176 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000366220846 446089889 /nfs/dbraw/zinc/08/98/89/446089889.db2.gz WCTSCGHLPFGFPT-RRQGHBQHSA-N 2 2 328.420 1.176 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000369358130 446099332 /nfs/dbraw/zinc/09/93/32/446099332.db2.gz JZFRZUDAGKCNFI-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000369358130 446099336 /nfs/dbraw/zinc/09/93/36/446099336.db2.gz JZFRZUDAGKCNFI-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]12 ZINC000351496740 446100736 /nfs/dbraw/zinc/10/07/36/446100736.db2.gz SEWIMLNEOACSRO-HYVNUMGLSA-N 2 2 343.475 1.680 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@H]12 ZINC000351496740 446100739 /nfs/dbraw/zinc/10/07/39/446100739.db2.gz SEWIMLNEOACSRO-HYVNUMGLSA-N 2 2 343.475 1.680 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C)CC2 ZINC000356919999 446124238 /nfs/dbraw/zinc/12/42/38/446124238.db2.gz NBDCEIVMDHGYKT-UONOGXRCSA-N 2 2 347.459 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C)CC2 ZINC000356919999 446124243 /nfs/dbraw/zinc/12/42/43/446124243.db2.gz NBDCEIVMDHGYKT-UONOGXRCSA-N 2 2 347.459 1.271 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000354387264 446168051 /nfs/dbraw/zinc/16/80/51/446168051.db2.gz GUNFRCFOBJZYTM-IAGOWNOFSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000354387264 446168055 /nfs/dbraw/zinc/16/80/55/446168055.db2.gz GUNFRCFOBJZYTM-IAGOWNOFSA-N 2 2 325.497 1.678 20 0 EDADLP CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000351589669 446186302 /nfs/dbraw/zinc/18/63/02/446186302.db2.gz ZULLJAXOOFNUAK-UHFFFAOYSA-N 2 2 325.478 1.463 20 0 EDADLP CO[C@H](C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1)c1ccccc1 ZINC000370170901 446187465 /nfs/dbraw/zinc/18/74/65/446187465.db2.gz GANVPWUJMAPMBN-GOSISDBHSA-N 2 2 331.460 1.613 20 0 EDADLP CO[C@H](C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1)c1ccccc1 ZINC000370170901 446187470 /nfs/dbraw/zinc/18/74/70/446187470.db2.gz GANVPWUJMAPMBN-GOSISDBHSA-N 2 2 331.460 1.613 20 0 EDADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359312809 446142647 /nfs/dbraw/zinc/14/26/47/446142647.db2.gz VCYUFHOFNNIRAP-IYBDPMFKSA-N 2 2 328.460 1.685 20 0 EDADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359312809 446142655 /nfs/dbraw/zinc/14/26/55/446142655.db2.gz VCYUFHOFNNIRAP-IYBDPMFKSA-N 2 2 328.460 1.685 20 0 EDADLP CCC(CC)[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000359321686 446148635 /nfs/dbraw/zinc/14/86/35/446148635.db2.gz IDDYTYAEGGDLHJ-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000359321686 446148640 /nfs/dbraw/zinc/14/86/40/446148640.db2.gz IDDYTYAEGGDLHJ-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3c[nH+]c4c(C)cccn34)CCN2C1=O ZINC000362014434 446152795 /nfs/dbraw/zinc/15/27/95/446152795.db2.gz TXFDLNZHCFVCIZ-AWEZNQCLSA-N 2 2 327.388 1.111 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3c[nH+]c4c(C)cccn34)CCN2C1=O ZINC000362014434 446152798 /nfs/dbraw/zinc/15/27/98/446152798.db2.gz TXFDLNZHCFVCIZ-AWEZNQCLSA-N 2 2 327.388 1.111 20 0 EDADLP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cccc3[nH+]ccn32)C1=O ZINC000362013447 446152907 /nfs/dbraw/zinc/15/29/07/446152907.db2.gz ZNEQBWVWIFBBMT-PXAZEXFGSA-N 2 2 327.388 1.144 20 0 EDADLP Cc1ccc(N2CCC[C@@H](C(=O)NCC3=CC[N@H+](C)CC3)C2)[nH+]c1 ZINC000365533704 446244308 /nfs/dbraw/zinc/24/43/08/446244308.db2.gz FYKAEORLTIEVBS-QGZVFWFLSA-N 2 2 328.460 1.985 20 0 EDADLP Cc1ccc(N2CCC[C@@H](C(=O)NCC3=CC[N@@H+](C)CC3)C2)[nH+]c1 ZINC000365533704 446244311 /nfs/dbraw/zinc/24/43/11/446244311.db2.gz FYKAEORLTIEVBS-QGZVFWFLSA-N 2 2 328.460 1.985 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000365458198 446216717 /nfs/dbraw/zinc/21/67/17/446216717.db2.gz DGWWQUNSMPPOBY-BBWFWOEESA-N 2 2 345.491 1.891 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000365458198 446216721 /nfs/dbraw/zinc/21/67/21/446216721.db2.gz DGWWQUNSMPPOBY-BBWFWOEESA-N 2 2 345.491 1.891 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362105726 446216810 /nfs/dbraw/zinc/21/68/10/446216810.db2.gz ITZPOOSDNWJRGF-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP CO[C@@H](C)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000354460151 446220034 /nfs/dbraw/zinc/22/00/34/446220034.db2.gz RKVUVZSQZWUPIQ-KRWDZBQOSA-N 2 2 348.491 1.866 20 0 EDADLP CO[C@@H](C)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000354460151 446220037 /nfs/dbraw/zinc/22/00/37/446220037.db2.gz RKVUVZSQZWUPIQ-KRWDZBQOSA-N 2 2 348.491 1.866 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[C@H](CO)CC3)C2)CC1 ZINC000370471751 446294476 /nfs/dbraw/zinc/29/44/76/446294476.db2.gz LIHIXSMVGNAXPI-JYJNAYRXSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC[C@H](CO)CC3)C2)CC1 ZINC000370471751 446294479 /nfs/dbraw/zinc/29/44/79/446294479.db2.gz LIHIXSMVGNAXPI-JYJNAYRXSA-N 2 2 338.496 1.005 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000365671857 446294931 /nfs/dbraw/zinc/29/49/31/446294931.db2.gz KXUSOJULTQXJPG-MRXNPFEDSA-N 2 2 348.447 1.273 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000365671857 446294934 /nfs/dbraw/zinc/29/49/34/446294934.db2.gz KXUSOJULTQXJPG-MRXNPFEDSA-N 2 2 348.447 1.273 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000366540820 446255704 /nfs/dbraw/zinc/25/57/04/446255704.db2.gz ONTPCCBNPVSLCA-CQSZACIVSA-N 2 2 328.420 1.209 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000373567984 446263745 /nfs/dbraw/zinc/26/37/45/446263745.db2.gz KYYCXRYAYKWJKB-OAHLLOKOSA-N 2 2 328.420 1.360 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366582755 446268228 /nfs/dbraw/zinc/26/82/28/446268228.db2.gz LTABXEQQBULIJV-INIZCTEOSA-N 2 2 328.416 1.246 20 0 EDADLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000365601044 446269289 /nfs/dbraw/zinc/26/92/89/446269289.db2.gz VDYHZFUSZUAOSI-JKSUJKDBSA-N 2 2 336.480 1.119 20 0 EDADLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000365601044 446269290 /nfs/dbraw/zinc/26/92/90/446269290.db2.gz VDYHZFUSZUAOSI-JKSUJKDBSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1nc(C2CC2)no1 ZINC000362249406 446285703 /nfs/dbraw/zinc/28/57/03/446285703.db2.gz LQGCFBUHXNRRPQ-GFCCVEGCSA-N 2 2 342.403 1.136 20 0 EDADLP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1nc(C2CC2)no1 ZINC000362249406 446285704 /nfs/dbraw/zinc/28/57/04/446285704.db2.gz LQGCFBUHXNRRPQ-GFCCVEGCSA-N 2 2 342.403 1.136 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370549849 446328632 /nfs/dbraw/zinc/32/86/32/446328632.db2.gz RCKZGCVIBJUJNP-IRXDYDNUSA-N 2 2 342.443 1.636 20 0 EDADLP CC(C)n1ccc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000366758644 446337539 /nfs/dbraw/zinc/33/75/39/446337539.db2.gz HWGLSUFWTUJOKB-HNNXBMFYSA-N 2 2 348.495 2.096 20 0 EDADLP CC(C)n1ccc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000366758644 446337543 /nfs/dbraw/zinc/33/75/43/446337543.db2.gz HWGLSUFWTUJOKB-HNNXBMFYSA-N 2 2 348.495 2.096 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)CCC(C)C)CC2)C1 ZINC000373674443 446298663 /nfs/dbraw/zinc/29/86/63/446298663.db2.gz VVFXOFGHOQOBGS-ROUUACIJSA-N 2 2 327.513 1.122 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)CCC(C)C)CC2)C1 ZINC000373674443 446298669 /nfs/dbraw/zinc/29/86/69/446298669.db2.gz VVFXOFGHOQOBGS-ROUUACIJSA-N 2 2 327.513 1.122 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417534542 446362373 /nfs/dbraw/zinc/36/23/73/446362373.db2.gz ZHJJUMHLAVLZDU-HNNXBMFYSA-N 2 2 326.485 1.319 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417534542 446362377 /nfs/dbraw/zinc/36/23/77/446362377.db2.gz ZHJJUMHLAVLZDU-HNNXBMFYSA-N 2 2 326.485 1.319 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])[NH+]2CCOCC2)s1 ZINC000417842735 446375411 /nfs/dbraw/zinc/37/54/11/446375411.db2.gz YGWVBXHNJCDYPN-TZMCWYRMSA-N 2 2 340.493 1.466 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417950990 446396590 /nfs/dbraw/zinc/39/65/90/446396590.db2.gz LATOLAMQJYZJOF-IUIKQTSFSA-N 2 2 338.402 1.713 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417950990 446396595 /nfs/dbraw/zinc/39/65/95/446396595.db2.gz LATOLAMQJYZJOF-IUIKQTSFSA-N 2 2 338.402 1.713 20 0 EDADLP CC[N@H+](CC(=O)N1CCC[C@@H]([NH+](C)Cc2noc(C)n2)CC1)C1CC1 ZINC000376243792 446396860 /nfs/dbraw/zinc/39/68/60/446396860.db2.gz HEPSLJCTSHUNRW-OAHLLOKOSA-N 2 2 349.479 1.675 20 0 EDADLP CC[N@@H+](CC(=O)N1CCC[C@@H]([NH+](C)Cc2noc(C)n2)CC1)C1CC1 ZINC000376243792 446396865 /nfs/dbraw/zinc/39/68/65/446396865.db2.gz HEPSLJCTSHUNRW-OAHLLOKOSA-N 2 2 349.479 1.675 20 0 EDADLP CC[NH+](CC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)C1CC1 ZINC000376243792 446396869 /nfs/dbraw/zinc/39/68/69/446396869.db2.gz HEPSLJCTSHUNRW-OAHLLOKOSA-N 2 2 349.479 1.675 20 0 EDADLP CC[NH+](CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)C1CC1 ZINC000376243792 446396874 /nfs/dbraw/zinc/39/68/74/446396874.db2.gz HEPSLJCTSHUNRW-OAHLLOKOSA-N 2 2 349.479 1.675 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C2CC2)C[C@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000452583409 446431614 /nfs/dbraw/zinc/43/16/14/446431614.db2.gz ZTFQCDHVZDUAAX-CGTJXYLNSA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C2CC2)C[C@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000452583409 446431618 /nfs/dbraw/zinc/43/16/18/446431618.db2.gz ZTFQCDHVZDUAAX-CGTJXYLNSA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000452583409 446431623 /nfs/dbraw/zinc/43/16/23/446431623.db2.gz ZTFQCDHVZDUAAX-CGTJXYLNSA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000452583409 446431630 /nfs/dbraw/zinc/43/16/30/446431630.db2.gz ZTFQCDHVZDUAAX-CGTJXYLNSA-N 2 2 337.508 1.819 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000431796108 446434739 /nfs/dbraw/zinc/43/47/39/446434739.db2.gz JBQOSDBCLHMKOT-KRWDZBQOSA-N 2 2 326.444 1.884 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)c(C)[nH+]1 ZINC000411177835 446418993 /nfs/dbraw/zinc/41/89/93/446418993.db2.gz ZRXMRDMXUKUFLE-GFCCVEGCSA-N 2 2 332.448 1.793 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420298402 446462565 /nfs/dbraw/zinc/46/25/65/446462565.db2.gz ZZWZEFIKIHYMMB-KGLIPLIRSA-N 2 2 333.432 1.495 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420298402 446462570 /nfs/dbraw/zinc/46/25/70/446462570.db2.gz ZZWZEFIKIHYMMB-KGLIPLIRSA-N 2 2 333.432 1.495 20 0 EDADLP C[NH2+]CCCNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000418276565 446481227 /nfs/dbraw/zinc/48/12/27/446481227.db2.gz GLLRFHIFWHDADX-KRWDZBQOSA-N 2 2 348.491 1.528 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420300866 446464230 /nfs/dbraw/zinc/46/42/30/446464230.db2.gz VJSNYNWACASBFU-NWDGAFQWSA-N 2 2 339.461 1.841 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420300866 446464236 /nfs/dbraw/zinc/46/42/36/446464236.db2.gz VJSNYNWACASBFU-NWDGAFQWSA-N 2 2 339.461 1.841 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000420307817 446470691 /nfs/dbraw/zinc/47/06/91/446470691.db2.gz MQUSEAOARWWCJM-LBPRGKRZSA-N 2 2 343.258 1.785 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000420307817 446470693 /nfs/dbraw/zinc/47/06/93/446470693.db2.gz MQUSEAOARWWCJM-LBPRGKRZSA-N 2 2 343.258 1.785 20 0 EDADLP COc1ccc([C@H](C[NH3+])CN2CC[NH+](Cc3cc(C)no3)CC2)cc1 ZINC000420309463 446472021 /nfs/dbraw/zinc/47/20/21/446472021.db2.gz TYRGNBYZUSTKQX-QGZVFWFLSA-N 2 2 344.459 1.852 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(Cc3cc(C)no3)CC2)cc1 ZINC000420309463 446472024 /nfs/dbraw/zinc/47/20/24/446472024.db2.gz TYRGNBYZUSTKQX-QGZVFWFLSA-N 2 2 344.459 1.852 20 0 EDADLP COC(=O)c1coc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000367031274 446476506 /nfs/dbraw/zinc/47/65/06/446476506.db2.gz UPXLIWYXNFQSQX-PBHICJAKSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1coc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000367031274 446476508 /nfs/dbraw/zinc/47/65/08/446476508.db2.gz UPXLIWYXNFQSQX-PBHICJAKSA-N 2 2 335.448 1.524 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)cc1 ZINC000423300472 446478491 /nfs/dbraw/zinc/47/84/91/446478491.db2.gz DYIBLBZSMBSYAJ-SFHVURJKSA-N 2 2 331.460 1.857 20 0 EDADLP [NH3+][C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1c(F)cccc1F ZINC000423301691 446480150 /nfs/dbraw/zinc/48/01/50/446480150.db2.gz UNOIYEFSULFDJT-MRXNPFEDSA-N 2 2 332.354 1.708 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cc1 ZINC000420314516 446480197 /nfs/dbraw/zinc/48/01/97/446480197.db2.gz KDPSWYLXBMZMEX-LPHOPBHVSA-N 2 2 344.459 1.719 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cc1 ZINC000420314516 446480202 /nfs/dbraw/zinc/48/02/02/446480202.db2.gz KDPSWYLXBMZMEX-LPHOPBHVSA-N 2 2 344.459 1.719 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)[nH+]1 ZINC000411308431 446484266 /nfs/dbraw/zinc/48/42/66/446484266.db2.gz JOOMEJOCDWPBMK-HZPDHXFCSA-N 2 2 344.459 1.888 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)[nH+]1 ZINC000411308431 446484271 /nfs/dbraw/zinc/48/42/71/446484271.db2.gz JOOMEJOCDWPBMK-HZPDHXFCSA-N 2 2 344.459 1.888 20 0 EDADLP Cn1ncc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1C(F)(F)F ZINC000420319516 446485345 /nfs/dbraw/zinc/48/53/45/446485345.db2.gz AKBGPIXTCFHWGN-LBPRGKRZSA-N 2 2 332.370 1.626 20 0 EDADLP Cn1ncc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1C(F)(F)F ZINC000420319516 446485350 /nfs/dbraw/zinc/48/53/50/446485350.db2.gz AKBGPIXTCFHWGN-LBPRGKRZSA-N 2 2 332.370 1.626 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])C3CCC3)c[nH+]2)C[C@H](C)O1 ZINC000423332356 446492164 /nfs/dbraw/zinc/49/21/64/446492164.db2.gz NFTRSZKAGALHDP-AHIWAGSCSA-N 2 2 332.448 1.439 20 0 EDADLP c1ncn([C@@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056542 446492363 /nfs/dbraw/zinc/49/23/63/446492363.db2.gz ZPVXVONYQXTLEN-RTBURBONSA-N 2 2 341.459 1.816 20 0 EDADLP c1ncn([C@@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056542 446492372 /nfs/dbraw/zinc/49/23/72/446492372.db2.gz ZPVXVONYQXTLEN-RTBURBONSA-N 2 2 341.459 1.816 20 0 EDADLP c1ncn([C@@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056542 446492379 /nfs/dbraw/zinc/49/23/79/446492379.db2.gz ZPVXVONYQXTLEN-RTBURBONSA-N 2 2 341.459 1.816 20 0 EDADLP c1ncn([C@@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056542 446492383 /nfs/dbraw/zinc/49/23/83/446492383.db2.gz ZPVXVONYQXTLEN-RTBURBONSA-N 2 2 341.459 1.816 20 0 EDADLP C[C@@H]1CCOCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000374980964 446495798 /nfs/dbraw/zinc/49/57/98/446495798.db2.gz PWNLTFLWVBNQDG-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP C[C@@H]1CCOCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000374980964 446495802 /nfs/dbraw/zinc/49/58/02/446495802.db2.gz PWNLTFLWVBNQDG-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP Cc1nc2ccc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)nn2n1 ZINC000376447933 446503749 /nfs/dbraw/zinc/50/37/49/446503749.db2.gz HQYDHSDVSZBEBP-ZDUSSCGKSA-N 2 2 329.452 1.037 20 0 EDADLP Cc1nc2ccc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)nn2n1 ZINC000376447933 446503754 /nfs/dbraw/zinc/50/37/54/446503754.db2.gz HQYDHSDVSZBEBP-ZDUSSCGKSA-N 2 2 329.452 1.037 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C2CC([NH3+])C2)c(OC)c1 ZINC000420335873 446506373 /nfs/dbraw/zinc/50/63/73/446506373.db2.gz PTVDCWXVXWYUCG-KVULBXGLSA-N 2 2 347.459 1.789 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)C2CC([NH3+])C2)c(OC)c1 ZINC000420335873 446506381 /nfs/dbraw/zinc/50/63/81/446506381.db2.gz PTVDCWXVXWYUCG-KVULBXGLSA-N 2 2 347.459 1.789 20 0 EDADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423375600 446508823 /nfs/dbraw/zinc/50/88/23/446508823.db2.gz UGWPUKFFRIYYQO-STQMWFEESA-N 2 2 337.445 1.756 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000418323418 446497321 /nfs/dbraw/zinc/49/73/21/446497321.db2.gz HNVFRGSYANPOFE-KBPBESRZSA-N 2 2 341.431 1.113 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000418323418 446497326 /nfs/dbraw/zinc/49/73/26/446497326.db2.gz HNVFRGSYANPOFE-KBPBESRZSA-N 2 2 341.431 1.113 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418479642 446558533 /nfs/dbraw/zinc/55/85/33/446558533.db2.gz APPMCKGJJUYFPJ-INIZCTEOSA-N 2 2 327.432 1.810 20 0 EDADLP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418368951 446517436 /nfs/dbraw/zinc/51/74/36/446517436.db2.gz MVAILXUMJRYKKB-QGZVFWFLSA-N 2 2 334.439 1.795 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000418382332 446522535 /nfs/dbraw/zinc/52/25/35/446522535.db2.gz IMZFUXLZUPLHTA-CVEARBPZSA-N 2 2 348.491 1.939 20 0 EDADLP COC[C@@]1(CN[C@H](C[NH+]2CCOCC2)c2ccccc2C)CCC[NH2+]1 ZINC000423418006 446525634 /nfs/dbraw/zinc/52/56/34/446525634.db2.gz TYRYHCRUCCDYCR-UXHICEINSA-N 2 2 347.503 1.727 20 0 EDADLP COC[C@@]1(C[NH2+][C@H](CN2CCOCC2)c2ccccc2C)CCC[NH2+]1 ZINC000423418006 446525641 /nfs/dbraw/zinc/52/56/41/446525641.db2.gz TYRYHCRUCCDYCR-UXHICEINSA-N 2 2 347.503 1.727 20 0 EDADLP [NH3+]C1CC[NH+](CCCC(=O)NCCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000433137351 446536013 /nfs/dbraw/zinc/53/60/13/446536013.db2.gz NZEJLMQINMYAQU-UHFFFAOYSA-N 2 2 347.438 1.564 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420358774 446539796 /nfs/dbraw/zinc/53/97/96/446539796.db2.gz FEBWCFRJAVUDRI-BEFAXECRSA-N 2 2 331.460 1.775 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420358774 446539801 /nfs/dbraw/zinc/53/98/01/446539801.db2.gz FEBWCFRJAVUDRI-BEFAXECRSA-N 2 2 331.460 1.775 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420364100 446544150 /nfs/dbraw/zinc/54/41/50/446544150.db2.gz OSWATMCAKSWZBN-INIZCTEOSA-N 2 2 336.455 1.437 20 0 EDADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420379004 446554496 /nfs/dbraw/zinc/55/44/96/446554496.db2.gz ACPPWNARWRDUTH-DOMZBBRYSA-N 2 2 325.840 1.394 20 0 EDADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420379004 446554499 /nfs/dbraw/zinc/55/44/99/446554499.db2.gz ACPPWNARWRDUTH-DOMZBBRYSA-N 2 2 325.840 1.394 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423501791 446557224 /nfs/dbraw/zinc/55/72/24/446557224.db2.gz DSFUBMOAOBOCJJ-CXAGYDPISA-N 2 2 331.464 1.525 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c1C ZINC000423626815 446614619 /nfs/dbraw/zinc/61/46/19/446614619.db2.gz SWCAWDLWFFETDA-CQSZACIVSA-N 2 2 348.447 1.005 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000433994511 446615878 /nfs/dbraw/zinc/61/58/78/446615878.db2.gz SQAOIPKNBLSNOK-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420395661 446570223 /nfs/dbraw/zinc/57/02/23/446570223.db2.gz UGBDKSFRDIQNJW-GOSISDBHSA-N 2 2 349.475 1.190 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420395661 446570226 /nfs/dbraw/zinc/57/02/26/446570226.db2.gz UGBDKSFRDIQNJW-GOSISDBHSA-N 2 2 349.475 1.190 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420397704 446572055 /nfs/dbraw/zinc/57/20/55/446572055.db2.gz XXEFPQXBTZXUHH-SFHVURJKSA-N 2 2 349.475 1.277 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420397704 446572060 /nfs/dbraw/zinc/57/20/60/446572060.db2.gz XXEFPQXBTZXUHH-SFHVURJKSA-N 2 2 349.475 1.277 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423561663 446575458 /nfs/dbraw/zinc/57/54/58/446575458.db2.gz PVZLVSTZRYPBOW-DGCLKSJQSA-N 2 2 328.254 1.731 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000418523469 446579585 /nfs/dbraw/zinc/57/95/85/446579585.db2.gz LCMDRZOZRDZHAW-UHFFFAOYSA-N 2 2 344.381 1.637 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000418523469 446579590 /nfs/dbraw/zinc/57/95/90/446579590.db2.gz LCMDRZOZRDZHAW-UHFFFAOYSA-N 2 2 344.381 1.637 20 0 EDADLP CCc1nc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc(C)[nH+]1 ZINC000367728505 446580495 /nfs/dbraw/zinc/58/04/95/446580495.db2.gz MAKWCOUXDRVXDR-KSSFIOAISA-N 2 2 328.464 2.576 20 0 EDADLP CCc1nc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc(C)[nH+]1 ZINC000367728505 446580499 /nfs/dbraw/zinc/58/04/99/446580499.db2.gz MAKWCOUXDRVXDR-KSSFIOAISA-N 2 2 328.464 2.576 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418672203 446644113 /nfs/dbraw/zinc/64/41/13/446644113.db2.gz UBXXXXXIMPZWAP-BZUAXINKSA-N 2 2 326.485 1.114 20 0 EDADLP [NH3+]C[C@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC000423724340 446660780 /nfs/dbraw/zinc/66/07/80/446660780.db2.gz HUSNWUGKEXZNMT-SFHVURJKSA-N 2 2 342.418 1.607 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000423726349 446661652 /nfs/dbraw/zinc/66/16/52/446661652.db2.gz JNPPDOBWGGIMHV-CVEARBPZSA-N 2 2 339.480 1.110 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000423726349 446661658 /nfs/dbraw/zinc/66/16/58/446661658.db2.gz JNPPDOBWGGIMHV-CVEARBPZSA-N 2 2 339.480 1.110 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000423652110 446626052 /nfs/dbraw/zinc/62/60/52/446626052.db2.gz SDERBTCZVDLCET-MRXNPFEDSA-N 2 2 333.432 1.608 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375180300 446628090 /nfs/dbraw/zinc/62/80/90/446628090.db2.gz LIVUIHGQJHWOIQ-AWEZNQCLSA-N 2 2 335.452 1.129 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375180300 446628097 /nfs/dbraw/zinc/62/80/97/446628097.db2.gz LIVUIHGQJHWOIQ-AWEZNQCLSA-N 2 2 335.452 1.129 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNc1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000435337005 446689321 /nfs/dbraw/zinc/68/93/21/446689321.db2.gz SJYSIWWLRLVPHN-AWEZNQCLSA-N 2 2 330.436 2.532 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000423846795 446730410 /nfs/dbraw/zinc/73/04/10/446730410.db2.gz PIJNXCSHWOKBQP-UHFFFAOYSA-N 2 2 344.459 1.289 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000418759750 446678924 /nfs/dbraw/zinc/67/89/24/446678924.db2.gz KRUDFPWVSKDYMV-CYBMUJFWSA-N 2 2 330.423 1.501 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371289899 446746784 /nfs/dbraw/zinc/74/67/84/446746784.db2.gz QJYMFUZYSVSKJO-IXDOHACOSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371289899 446746793 /nfs/dbraw/zinc/74/67/93/446746793.db2.gz QJYMFUZYSVSKJO-IXDOHACOSA-N 2 2 325.497 1.819 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294637 446749843 /nfs/dbraw/zinc/74/98/43/446749843.db2.gz MDHLFEWKLHIGHY-IPMKNSEASA-N 2 2 345.487 1.829 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294637 446749849 /nfs/dbraw/zinc/74/98/49/446749849.db2.gz MDHLFEWKLHIGHY-IPMKNSEASA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371301076 446757054 /nfs/dbraw/zinc/75/70/54/446757054.db2.gz DALRWVBOHWWPAP-SJORKVTESA-N 2 2 345.553 1.158 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371301076 446757058 /nfs/dbraw/zinc/75/70/58/446757058.db2.gz DALRWVBOHWWPAP-SJORKVTESA-N 2 2 345.553 1.158 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000376856673 446757840 /nfs/dbraw/zinc/75/78/40/446757840.db2.gz PJMSQYQDPRIYGJ-INIZCTEOSA-N 2 2 329.448 1.612 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000376856673 446757850 /nfs/dbraw/zinc/75/78/50/446757850.db2.gz PJMSQYQDPRIYGJ-INIZCTEOSA-N 2 2 329.448 1.612 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371303781 446760362 /nfs/dbraw/zinc/76/03/62/446760362.db2.gz PWPSHJJQBZWNDZ-ROUUACIJSA-N 2 2 338.540 1.593 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371303781 446760366 /nfs/dbraw/zinc/76/03/66/446760366.db2.gz PWPSHJJQBZWNDZ-ROUUACIJSA-N 2 2 338.540 1.593 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)O1 ZINC000423922348 446771474 /nfs/dbraw/zinc/77/14/74/446771474.db2.gz VXULHAIOKGPTJW-CJNGLKHVSA-N 2 2 337.851 1.321 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)O1 ZINC000423922348 446771480 /nfs/dbraw/zinc/77/14/80/446771480.db2.gz VXULHAIOKGPTJW-CJNGLKHVSA-N 2 2 337.851 1.321 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423924673 446775342 /nfs/dbraw/zinc/77/53/42/446775342.db2.gz DUVKNACPUYRDMG-UXLLHSPISA-N 2 2 346.475 1.761 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)CC[NH2+]1 ZINC000423925533 446775361 /nfs/dbraw/zinc/77/53/61/446775361.db2.gz FXAVEIZFTWFYOA-SOUVJXGZSA-N 2 2 332.448 1.515 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H](C)[C@H](C)[NH3+])on1 ZINC000423930022 446782598 /nfs/dbraw/zinc/78/25/98/446782598.db2.gz VGWRVPUKKLNPAT-XUXIUFHCSA-N 2 2 326.416 1.337 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H](C)[C@H](C)[NH3+])on1 ZINC000423930022 446782602 /nfs/dbraw/zinc/78/26/02/446782602.db2.gz VGWRVPUKKLNPAT-XUXIUFHCSA-N 2 2 326.416 1.337 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000368323359 446785630 /nfs/dbraw/zinc/78/56/30/446785630.db2.gz YRMJVWNPEUBSHS-SIXWZSSISA-N 2 2 342.443 1.298 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000368323359 446785636 /nfs/dbraw/zinc/78/56/36/446785636.db2.gz YRMJVWNPEUBSHS-SIXWZSSISA-N 2 2 342.443 1.298 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368323359 446785639 /nfs/dbraw/zinc/78/56/39/446785639.db2.gz YRMJVWNPEUBSHS-SIXWZSSISA-N 2 2 342.443 1.298 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000368323359 446785643 /nfs/dbraw/zinc/78/56/43/446785643.db2.gz YRMJVWNPEUBSHS-SIXWZSSISA-N 2 2 342.443 1.298 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc(C4CC4)no3)CC2)CC1 ZINC000371344249 446792670 /nfs/dbraw/zinc/79/26/70/446792670.db2.gz KHECEECECXVRDM-UHFFFAOYSA-N 2 2 333.480 1.937 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000454239429 446822530 /nfs/dbraw/zinc/82/25/30/446822530.db2.gz BGMFTYKEMLHFHS-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CSCCONC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377068501 446899623 /nfs/dbraw/zinc/89/96/23/446899623.db2.gz RYYBRJPNHYXZFF-CYBMUJFWSA-N 2 2 330.498 1.091 20 0 EDADLP CSCCONC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377068501 446899630 /nfs/dbraw/zinc/89/96/30/446899630.db2.gz RYYBRJPNHYXZFF-CYBMUJFWSA-N 2 2 330.498 1.091 20 0 EDADLP COC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420898759 446874214 /nfs/dbraw/zinc/87/42/14/446874214.db2.gz DMGXKXUMGFCZAF-SFHVURJKSA-N 2 2 332.444 1.904 20 0 EDADLP COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420898759 446874219 /nfs/dbraw/zinc/87/42/19/446874219.db2.gz DMGXKXUMGFCZAF-SFHVURJKSA-N 2 2 332.444 1.904 20 0 EDADLP C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918617 446887083 /nfs/dbraw/zinc/88/70/83/446887083.db2.gz WQWSHKAEWSHPPE-OAHLLOKOSA-N 2 2 340.489 1.384 20 0 EDADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918617 446887091 /nfs/dbraw/zinc/88/70/91/446887091.db2.gz WQWSHKAEWSHPPE-OAHLLOKOSA-N 2 2 340.489 1.384 20 0 EDADLP COCC(C)(C)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000412222818 446903599 /nfs/dbraw/zinc/90/35/99/446903599.db2.gz CPORMRTVXNODSW-HNNXBMFYSA-N 2 2 325.497 1.676 20 0 EDADLP COCC(C)(C)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000412222818 446903596 /nfs/dbraw/zinc/90/35/96/446903596.db2.gz CPORMRTVXNODSW-HNNXBMFYSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)NC[C@@H]2CCCO2)[nH+]1 ZINC000368570449 446949764 /nfs/dbraw/zinc/94/97/64/446949764.db2.gz UPRQTQIPWPOBMP-CVEARBPZSA-N 2 2 332.448 1.562 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NC[C@@H]2CCCO2)[nH+]1 ZINC000368570449 446949769 /nfs/dbraw/zinc/94/97/69/446949769.db2.gz UPRQTQIPWPOBMP-CVEARBPZSA-N 2 2 332.448 1.562 20 0 EDADLP Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371704660 446950351 /nfs/dbraw/zinc/95/03/51/446950351.db2.gz XOWILZCZUSCERZ-WFASDCNBSA-N 2 2 333.480 1.415 20 0 EDADLP Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371704660 446950356 /nfs/dbraw/zinc/95/03/56/446950356.db2.gz XOWILZCZUSCERZ-WFASDCNBSA-N 2 2 333.480 1.415 20 0 EDADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372111625 447008087 /nfs/dbraw/zinc/00/80/87/447008087.db2.gz VSGXNEVZFBGZLC-DLBZAZTESA-N 2 2 346.475 1.261 20 0 EDADLP Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000371974563 446979609 /nfs/dbraw/zinc/97/96/09/446979609.db2.gz PMNFWSUQXVAASD-INIZCTEOSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000371974563 446979614 /nfs/dbraw/zinc/97/96/14/446979614.db2.gz PMNFWSUQXVAASD-INIZCTEOSA-N 2 2 331.460 1.941 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCCCCC[NH+]3CCCC3)C[C@H]21 ZINC000455035456 447032238 /nfs/dbraw/zinc/03/22/38/447032238.db2.gz OSHFZQCKBASCDE-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCCCCC[NH+]3CCCC3)C[C@H]21 ZINC000455035456 447032245 /nfs/dbraw/zinc/03/22/45/447032245.db2.gz OSHFZQCKBASCDE-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000368693660 447043326 /nfs/dbraw/zinc/04/33/26/447043326.db2.gz IRRCPYYCIDITIU-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000368693660 447043332 /nfs/dbraw/zinc/04/33/32/447043332.db2.gz IRRCPYYCIDITIU-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000368693660 447043337 /nfs/dbraw/zinc/04/33/37/447043337.db2.gz IRRCPYYCIDITIU-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000368693660 447043341 /nfs/dbraw/zinc/04/33/41/447043341.db2.gz IRRCPYYCIDITIU-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CCC[C@H]([NH+](C)C)C3)[nH+]cn2)C1 ZINC000413175047 447049153 /nfs/dbraw/zinc/04/91/53/447049153.db2.gz QOLWWPYHSQFHBI-JJXSEGSLSA-N 2 2 333.480 1.968 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CCC[C@H]([NH+](C)C)C3)nc[nH+]2)C1 ZINC000413175047 447049163 /nfs/dbraw/zinc/04/91/63/447049163.db2.gz QOLWWPYHSQFHBI-JJXSEGSLSA-N 2 2 333.480 1.968 20 0 EDADLP CC1(C)CC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC(C)(C)[NH2+]1 ZINC000377304027 447051650 /nfs/dbraw/zinc/05/16/50/447051650.db2.gz LPRVFMQDTVNNEI-INIZCTEOSA-N 2 2 337.508 1.913 20 0 EDADLP CC1(C)CC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC(C)(C)[NH2+]1 ZINC000377304027 447051655 /nfs/dbraw/zinc/05/16/55/447051655.db2.gz LPRVFMQDTVNNEI-INIZCTEOSA-N 2 2 337.508 1.913 20 0 EDADLP Cc1c(/C=C/C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cnn1C ZINC000375799622 447059471 /nfs/dbraw/zinc/05/94/71/447059471.db2.gz ZUYWKZONTQHUHZ-LLYBFZRZSA-N 2 2 345.491 1.369 20 0 EDADLP Cc1c(/C=C/C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cnn1C ZINC000375799622 447059481 /nfs/dbraw/zinc/05/94/81/447059481.db2.gz ZUYWKZONTQHUHZ-LLYBFZRZSA-N 2 2 345.491 1.369 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000372527164 447111614 /nfs/dbraw/zinc/11/16/14/447111614.db2.gz NZBQASYCBBKVFY-IAGOWNOFSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000372527164 447111618 /nfs/dbraw/zinc/11/16/18/447111618.db2.gz NZBQASYCBBKVFY-IAGOWNOFSA-N 2 2 346.475 1.405 20 0 EDADLP c1c(C[NH2+]CCC[NH2+]Cc2cccnc2)onc1C1CC[NH2+]CC1 ZINC000425390710 447138342 /nfs/dbraw/zinc/13/83/42/447138342.db2.gz WYKOSRIGHUWETN-UHFFFAOYSA-N 3 2 329.448 1.806 20 0 EDADLP COC(=O)[C@H](CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000425403550 447146029 /nfs/dbraw/zinc/14/60/29/447146029.db2.gz KFEJLWXFRVQFRC-QGZVFWFLSA-N 2 2 342.443 1.874 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419457702 447191646 /nfs/dbraw/zinc/19/16/46/447191646.db2.gz XJPPRZXQNXKRMD-AWEZNQCLSA-N 2 2 349.479 1.050 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419463473 447197383 /nfs/dbraw/zinc/19/73/83/447197383.db2.gz NMWFIXHRXADKSD-HUUCEWRRSA-N 2 2 337.468 1.068 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+]([C@H](C)c3nnnn3C3CC3)CC2)CC1 ZINC000372815914 447299643 /nfs/dbraw/zinc/29/96/43/447299643.db2.gz QWVCPNZPLJTLSD-OAHLLOKOSA-N 2 2 347.511 1.561 20 0 EDADLP C[C@H](NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)[NH+]1CCOCC1 ZINC000369047701 447286917 /nfs/dbraw/zinc/28/69/17/447286917.db2.gz ONJICBTXUBIGHQ-ZSNVMCELSA-N 2 2 338.496 1.268 20 0 EDADLP C[C@H](NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)[NH+]1CCOCC1 ZINC000369047701 447286921 /nfs/dbraw/zinc/28/69/21/447286921.db2.gz ONJICBTXUBIGHQ-ZSNVMCELSA-N 2 2 338.496 1.268 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)CC1 ZINC000422005024 447304606 /nfs/dbraw/zinc/30/46/06/447304606.db2.gz IEQGFJSRHFOOCE-UHFFFAOYSA-N 2 2 347.507 1.588 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)CC1 ZINC000422005024 447304611 /nfs/dbraw/zinc/30/46/11/447304611.db2.gz IEQGFJSRHFOOCE-UHFFFAOYSA-N 2 2 347.507 1.588 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c(C)[nH+]1 ZINC000415461259 447452147 /nfs/dbraw/zinc/45/21/47/447452147.db2.gz BOABBVUKKUVAAR-UHFFFAOYSA-N 2 2 330.432 1.628 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408035 447462141 /nfs/dbraw/zinc/46/21/41/447462141.db2.gz BZAJOJMVENLKFH-WOJBJXKFSA-N 3 2 331.504 1.945 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408035 447462150 /nfs/dbraw/zinc/46/21/50/447462150.db2.gz BZAJOJMVENLKFH-WOJBJXKFSA-N 3 2 331.504 1.945 20 0 EDADLP CCc1cc(CCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)on1 ZINC000450347913 447464664 /nfs/dbraw/zinc/46/46/64/447464664.db2.gz IXVWXKNUHURUBS-UHFFFAOYSA-N 2 2 334.464 1.410 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811368 447480243 /nfs/dbraw/zinc/48/02/43/447480243.db2.gz LFXCGHQKYVPVTB-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811368 447480249 /nfs/dbraw/zinc/48/02/49/447480249.db2.gz LFXCGHQKYVPVTB-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811368 447480254 /nfs/dbraw/zinc/48/02/54/447480254.db2.gz LFXCGHQKYVPVTB-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811368 447480258 /nfs/dbraw/zinc/48/02/58/447480258.db2.gz LFXCGHQKYVPVTB-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2[nH+]c1C1CC1 ZINC000415541164 447505269 /nfs/dbraw/zinc/50/52/69/447505269.db2.gz QGAGPKPKSDIUSI-CYBMUJFWSA-N 2 2 341.415 1.243 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000457101771 447515318 /nfs/dbraw/zinc/51/53/18/447515318.db2.gz YRSDDGLRGLNPSX-KRWDZBQOSA-N 2 2 346.475 1.469 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000457101771 447515323 /nfs/dbraw/zinc/51/53/23/447515323.db2.gz YRSDDGLRGLNPSX-KRWDZBQOSA-N 2 2 346.475 1.469 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000419973127 447523308 /nfs/dbraw/zinc/52/33/08/447523308.db2.gz IVRSAZYUIUNLKX-INIZCTEOSA-N 2 2 349.479 1.001 20 0 EDADLP Nc1cc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000404187689 447595743 /nfs/dbraw/zinc/59/57/43/447595743.db2.gz JSJBPMKMJRYEIM-RBUKOAKNSA-N 2 2 338.455 1.969 20 0 EDADLP Nc1cc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000404187689 447595749 /nfs/dbraw/zinc/59/57/49/447595749.db2.gz JSJBPMKMJRYEIM-RBUKOAKNSA-N 2 2 338.455 1.969 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[N@H+](CCO)C[C@H]2C)c[nH+]1 ZINC000457658050 447612354 /nfs/dbraw/zinc/61/23/54/447612354.db2.gz PSLUEHAULZDUSP-OAHLLOKOSA-N 2 2 349.479 1.136 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+](CCO)C[C@H]2C)c[nH+]1 ZINC000457658050 447612362 /nfs/dbraw/zinc/61/23/62/447612362.db2.gz PSLUEHAULZDUSP-OAHLLOKOSA-N 2 2 349.479 1.136 20 0 EDADLP CC[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451160481 447700034 /nfs/dbraw/zinc/70/00/34/447700034.db2.gz UTRIVMKBCZJKEF-HNNXBMFYSA-N 2 2 325.478 1.095 20 0 EDADLP CC[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451160481 447700041 /nfs/dbraw/zinc/70/00/41/447700041.db2.gz UTRIVMKBCZJKEF-HNNXBMFYSA-N 2 2 325.478 1.095 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000416891351 447702560 /nfs/dbraw/zinc/70/25/60/447702560.db2.gz UQJCYMKGQLSHLG-AEFFLSMTSA-N 2 2 348.491 1.795 20 0 EDADLP C[NH2+]CCC1CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000420230036 447678780 /nfs/dbraw/zinc/67/87/80/447678780.db2.gz WQHGCFNRBGSLHF-ZBFHGGJFSA-N 2 2 333.480 1.510 20 0 EDADLP C[NH2+]CCC1CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000420230036 447678787 /nfs/dbraw/zinc/67/87/87/447678787.db2.gz WQHGCFNRBGSLHF-ZBFHGGJFSA-N 2 2 333.480 1.510 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC(CC[NH2+]C)CC2)[nH+]1 ZINC000420228598 447679182 /nfs/dbraw/zinc/67/91/82/447679182.db2.gz RNDDKYHOXSAGNX-UHFFFAOYSA-N 2 2 335.500 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC(CC[NH2+]C)CC2)n1 ZINC000420228598 447679187 /nfs/dbraw/zinc/67/91/87/447679187.db2.gz RNDDKYHOXSAGNX-UHFFFAOYSA-N 2 2 335.500 1.762 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000420238306 447682623 /nfs/dbraw/zinc/68/26/23/447682623.db2.gz KQQVIQJWJPIVKZ-GFCCVEGCSA-N 2 2 328.338 1.501 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422738994 447733656 /nfs/dbraw/zinc/73/36/56/447733656.db2.gz KPWVZSJPZLFBKR-GUDVDZBRSA-N 3 2 344.503 1.657 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422738994 447733657 /nfs/dbraw/zinc/73/36/57/447733657.db2.gz KPWVZSJPZLFBKR-GUDVDZBRSA-N 3 2 344.503 1.657 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000417252352 447738168 /nfs/dbraw/zinc/73/81/68/447738168.db2.gz AQKIHWAZXNUFJR-HOCLYGCPSA-N 2 2 344.525 1.011 20 0 EDADLP CC[C@@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000458215366 447746008 /nfs/dbraw/zinc/74/60/08/447746008.db2.gz MYMNAUXHHLVKNW-ZACQAIPSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000458215366 447746009 /nfs/dbraw/zinc/74/60/09/447746009.db2.gz MYMNAUXHHLVKNW-ZACQAIPSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000458215366 447746011 /nfs/dbraw/zinc/74/60/11/447746011.db2.gz MYMNAUXHHLVKNW-ZACQAIPSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000458215366 447746012 /nfs/dbraw/zinc/74/60/12/447746012.db2.gz MYMNAUXHHLVKNW-ZACQAIPSSA-N 2 2 325.497 1.724 20 0 EDADLP COc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000422774216 447747086 /nfs/dbraw/zinc/74/70/86/447747086.db2.gz WCZYSLQVGARGEL-SJORKVTESA-N 2 2 336.432 1.569 20 0 EDADLP CC[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422773586 447747430 /nfs/dbraw/zinc/74/74/30/447747430.db2.gz YTEXGUNQLAKSQD-RBUKOAKNSA-N 2 2 344.503 1.846 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCNS(C)(=O)=O)[C@H]2CCC[NH2+]2)cc1 ZINC000422800558 447754144 /nfs/dbraw/zinc/75/41/44/447754144.db2.gz CFGCUVKYCXMPHQ-HZPDHXFCSA-N 2 2 341.477 1.017 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000422805469 447755018 /nfs/dbraw/zinc/75/50/18/447755018.db2.gz GYJVJGHDLWAJOE-RTBURBONSA-N 3 2 346.519 1.555 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496541595 447813700 /nfs/dbraw/zinc/81/37/00/447813700.db2.gz CRFIYUDZBBRLRE-VHDGCEQUSA-N 2 2 327.469 1.287 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496541595 447813703 /nfs/dbraw/zinc/81/37/03/447813703.db2.gz CRFIYUDZBBRLRE-VHDGCEQUSA-N 2 2 327.469 1.287 20 0 EDADLP COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1OC ZINC000430561667 447779493 /nfs/dbraw/zinc/77/94/93/447779493.db2.gz NNXKNBXCTNUIEO-DJJJIMSYSA-N 2 2 349.475 1.906 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430969905 447788833 /nfs/dbraw/zinc/78/88/33/447788833.db2.gz HJMOTMFPTYGFSB-WMLDXEAASA-N 2 2 335.448 1.249 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430969905 447788835 /nfs/dbraw/zinc/78/88/35/447788835.db2.gz HJMOTMFPTYGFSB-WMLDXEAASA-N 2 2 335.448 1.249 20 0 EDADLP COC[C@@]1(CO)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451936016 447790710 /nfs/dbraw/zinc/79/07/10/447790710.db2.gz SJUZUMNZWMDYDU-UXHICEINSA-N 2 2 348.487 1.608 20 0 EDADLP COC[C@@]1(CO)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451936016 447790713 /nfs/dbraw/zinc/79/07/13/447790713.db2.gz SJUZUMNZWMDYDU-UXHICEINSA-N 2 2 348.487 1.608 20 0 EDADLP COC[C@@]1(CO)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451936016 447790719 /nfs/dbraw/zinc/79/07/19/447790719.db2.gz SJUZUMNZWMDYDU-UXHICEINSA-N 2 2 348.487 1.608 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423101058 447805332 /nfs/dbraw/zinc/80/53/32/447805332.db2.gz HWJCXQWAOJDFIW-ARFHVFGLSA-N 2 2 339.867 1.826 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H](C)[C@H]3CCCC[NH2+]3)c[nH+]2)CC1 ZINC000496644651 447839954 /nfs/dbraw/zinc/83/99/54/447839954.db2.gz QARPOGIMOFLYIM-GOEBONIOSA-N 2 2 347.463 1.913 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522829895 447858420 /nfs/dbraw/zinc/85/84/20/447858420.db2.gz QLJBHRLIZJMACO-WMZOPIPTSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522829895 447858424 /nfs/dbraw/zinc/85/84/24/447858424.db2.gz QLJBHRLIZJMACO-WMZOPIPTSA-N 2 2 346.475 1.131 20 0 EDADLP COc1cc2[nH+]c(N3CC[N@H+](C)[C@@H](C(C)C)C3)nc(N)c2cc1OC ZINC000487093438 447827470 /nfs/dbraw/zinc/82/74/70/447827470.db2.gz JCRLIUBXXXVHIO-CQSZACIVSA-N 2 2 345.447 2.006 20 0 EDADLP COc1cc2[nH+]c(N3CC[N@@H+](C)[C@@H](C(C)C)C3)nc(N)c2cc1OC ZINC000487093438 447827472 /nfs/dbraw/zinc/82/74/72/447827472.db2.gz JCRLIUBXXXVHIO-CQSZACIVSA-N 2 2 345.447 2.006 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccccc1 ZINC000523115250 447874111 /nfs/dbraw/zinc/87/41/11/447874111.db2.gz SKVPMSDBGVWAPE-INIZCTEOSA-N 2 2 336.399 1.695 20 0 EDADLP Cc1nc(N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000489941495 447880876 /nfs/dbraw/zinc/88/08/76/447880876.db2.gz BVDHKKHZEKWKSR-KCQAQPDRSA-N 2 2 334.468 1.324 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000523441770 447886494 /nfs/dbraw/zinc/88/64/94/447886494.db2.gz NWIXWRWOHTUNMB-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000523441770 447886500 /nfs/dbraw/zinc/88/65/00/447886500.db2.gz NWIXWRWOHTUNMB-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000523441770 447886503 /nfs/dbraw/zinc/88/65/03/447886503.db2.gz NWIXWRWOHTUNMB-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000523441770 447886509 /nfs/dbraw/zinc/88/65/09/447886509.db2.gz NWIXWRWOHTUNMB-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP CO[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000569821143 447899433 /nfs/dbraw/zinc/89/94/33/447899433.db2.gz QJRZZFLTVYKOGZ-LSDHHAIUSA-N 2 2 340.855 1.312 20 0 EDADLP CO[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000569821143 447899435 /nfs/dbraw/zinc/89/94/35/447899435.db2.gz QJRZZFLTVYKOGZ-LSDHHAIUSA-N 2 2 340.855 1.312 20 0 EDADLP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570114060 447948680 /nfs/dbraw/zinc/94/86/80/447948680.db2.gz ZFFUAXNQMBLWDW-ZDUSSCGKSA-N 2 2 333.461 1.341 20 0 EDADLP COc1ccnc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000569962438 447928947 /nfs/dbraw/zinc/92/89/47/447928947.db2.gz XRFCCVXWBKEAGL-CQSZACIVSA-N 2 2 341.415 1.602 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000570292530 447981088 /nfs/dbraw/zinc/98/10/88/447981088.db2.gz SOPOQRGTZYXMQO-UHFFFAOYSA-N 2 2 347.488 1.464 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000576197860 447995768 /nfs/dbraw/zinc/99/57/68/447995768.db2.gz XPGKJBKUXGEPSW-SWLSCSKDSA-N 2 2 346.456 1.582 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000576197860 447995774 /nfs/dbraw/zinc/99/57/74/447995774.db2.gz XPGKJBKUXGEPSW-SWLSCSKDSA-N 2 2 346.456 1.582 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000552972278 447966266 /nfs/dbraw/zinc/96/62/66/447966266.db2.gz PEDLAYBNJVTFMO-MRXNPFEDSA-N 2 2 348.466 1.406 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000552972278 447966269 /nfs/dbraw/zinc/96/62/69/447966269.db2.gz PEDLAYBNJVTFMO-MRXNPFEDSA-N 2 2 348.466 1.406 20 0 EDADLP Cc1noc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000553025626 447968399 /nfs/dbraw/zinc/96/83/99/447968399.db2.gz HGDSUTUENPSCNX-KBPBESRZSA-N 2 2 338.452 1.468 20 0 EDADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000576356354 448037108 /nfs/dbraw/zinc/03/71/08/448037108.db2.gz CGDDQQCIGRRALL-OAHLLOKOSA-N 2 2 348.516 1.727 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000576356354 448037114 /nfs/dbraw/zinc/03/71/14/448037114.db2.gz CGDDQQCIGRRALL-OAHLLOKOSA-N 2 2 348.516 1.727 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496945470 448060220 /nfs/dbraw/zinc/06/02/20/448060220.db2.gz AOQUDCCEQMPFAO-HNNXBMFYSA-N 2 2 329.485 1.677 20 0 EDADLP NC(=O)C[N@@H+]1CCc2ccc(NCc3cccc4[nH+]ccn43)cc2C1 ZINC000555789541 448089583 /nfs/dbraw/zinc/08/95/83/448089583.db2.gz RSTYZKSYJAUTFG-UHFFFAOYSA-N 2 2 335.411 1.790 20 0 EDADLP NC(=O)C[N@H+]1CCc2ccc(NCc3cccc4[nH+]ccn43)cc2C1 ZINC000555789541 448089586 /nfs/dbraw/zinc/08/95/86/448089586.db2.gz RSTYZKSYJAUTFG-UHFFFAOYSA-N 2 2 335.411 1.790 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000531489481 448093120 /nfs/dbraw/zinc/09/31/20/448093120.db2.gz AATXGPXIDVJFSK-UHFFFAOYSA-N 2 2 327.432 1.152 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000576713884 448124092 /nfs/dbraw/zinc/12/40/92/448124092.db2.gz FHRWQERRLDWTJR-SFHVURJKSA-N 2 2 341.459 1.448 20 0 EDADLP Cc1nc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc(N(C)C)[nH+]1 ZINC000531680040 448128199 /nfs/dbraw/zinc/12/81/99/448128199.db2.gz HKWINSCVXNLSRI-MRXNPFEDSA-N 2 2 326.448 2.495 20 0 EDADLP C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000576748046 448130233 /nfs/dbraw/zinc/13/02/33/448130233.db2.gz FBDKYRPGOAGKBV-AWEZNQCLSA-N 2 2 328.453 1.921 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000576834624 448151847 /nfs/dbraw/zinc/15/18/47/448151847.db2.gz MVAXNVCPIAHPJW-SFHVURJKSA-N 2 2 329.448 1.544 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000576834624 448151854 /nfs/dbraw/zinc/15/18/54/448151854.db2.gz MVAXNVCPIAHPJW-SFHVURJKSA-N 2 2 329.448 1.544 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000576834624 448151861 /nfs/dbraw/zinc/15/18/61/448151861.db2.gz MVAXNVCPIAHPJW-SFHVURJKSA-N 2 2 329.448 1.544 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000576834624 448151868 /nfs/dbraw/zinc/15/18/68/448151868.db2.gz MVAXNVCPIAHPJW-SFHVURJKSA-N 2 2 329.448 1.544 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000576927833 448171985 /nfs/dbraw/zinc/17/19/85/448171985.db2.gz DDMLMMUHVYWAPD-KSZLIROESA-N 2 2 330.476 1.997 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576954031 448179555 /nfs/dbraw/zinc/17/95/55/448179555.db2.gz FYGMYFYYFHKTDB-ZIAGYGMSSA-N 2 2 341.415 1.946 20 0 EDADLP O=C1OC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN12 ZINC000497096776 448196203 /nfs/dbraw/zinc/19/62/03/448196203.db2.gz QMXWRQZCYPRDDA-KRWDZBQOSA-N 2 2 331.416 1.155 20 0 EDADLP O=C1OC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN12 ZINC000497096776 448196208 /nfs/dbraw/zinc/19/62/08/448196208.db2.gz QMXWRQZCYPRDDA-KRWDZBQOSA-N 2 2 331.416 1.155 20 0 EDADLP c1nc(NC[C@@]2([NH+]3CCOCC3)CCSC2)cc(NC2CC2)[nH+]1 ZINC000556842311 448163973 /nfs/dbraw/zinc/16/39/73/448163973.db2.gz RPOJCJHLTYOGGN-INIZCTEOSA-N 2 2 335.477 1.671 20 0 EDADLP Cc1ccccc1O[C@H](C)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000514932744 448227721 /nfs/dbraw/zinc/22/77/21/448227721.db2.gz LVBSRQRRZLVMOJ-TVFCKZIOSA-N 2 2 336.476 1.822 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2csc(C(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000582410012 448229046 /nfs/dbraw/zinc/22/90/46/448229046.db2.gz SYLJTPHYLPWMGS-ZDUSSCGKSA-N 2 2 339.509 1.267 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CNCC2(C[NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000577172975 448224806 /nfs/dbraw/zinc/22/48/06/448224806.db2.gz OQVYLAUUYSVPFB-BRWVUGGUSA-N 2 2 327.513 1.168 20 0 EDADLP CN1C[C@@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)CCC1=O ZINC000577228622 448242449 /nfs/dbraw/zinc/24/24/49/448242449.db2.gz FRXGHLALBSXLAR-SFHVURJKSA-N 2 2 331.460 1.571 20 0 EDADLP CN1C[C@@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)CCC1=O ZINC000577228622 448242452 /nfs/dbraw/zinc/24/24/52/448242452.db2.gz FRXGHLALBSXLAR-SFHVURJKSA-N 2 2 331.460 1.571 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000515048291 448248249 /nfs/dbraw/zinc/24/82/49/448248249.db2.gz IKWPBAKVXQSTDF-SPYBWZPUSA-N 2 2 340.471 1.870 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C[NH2+]1 ZINC000577366988 448276051 /nfs/dbraw/zinc/27/60/51/448276051.db2.gz LRWUIJRYOUIMDJ-JFIYKMOQSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C[NH2+]1 ZINC000577366988 448276055 /nfs/dbraw/zinc/27/60/55/448276055.db2.gz LRWUIJRYOUIMDJ-JFIYKMOQSA-N 2 2 346.475 1.279 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000577486622 448309531 /nfs/dbraw/zinc/30/95/31/448309531.db2.gz HLRJKLOADPOXLD-QLPKVWCKSA-N 2 2 325.416 1.291 20 0 EDADLP C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000492763086 448282521 /nfs/dbraw/zinc/28/25/21/448282521.db2.gz IYALQOFWVIZUDO-QOLZPOHTSA-N 2 2 340.427 1.829 20 0 EDADLP C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000492763086 448282526 /nfs/dbraw/zinc/28/25/26/448282526.db2.gz IYALQOFWVIZUDO-QOLZPOHTSA-N 2 2 340.427 1.829 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000572098681 448284167 /nfs/dbraw/zinc/28/41/67/448284167.db2.gz ZVUUFHNANCSUGK-OAHLLOKOSA-N 2 2 330.432 1.642 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000572110002 448287137 /nfs/dbraw/zinc/28/71/37/448287137.db2.gz YHCLRODVFTWHON-IEBWSBKVSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000572110002 448287144 /nfs/dbraw/zinc/28/71/44/448287144.db2.gz YHCLRODVFTWHON-IEBWSBKVSA-N 2 2 348.487 1.920 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000572114162 448289093 /nfs/dbraw/zinc/28/90/93/448289093.db2.gz GDFHRVMRHDLPPD-UPJWGTAASA-N 2 2 342.461 1.094 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000591230414 448294334 /nfs/dbraw/zinc/29/43/34/448294334.db2.gz VNANLHJZUWELIX-SJLPKXTDSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000591230414 448294335 /nfs/dbraw/zinc/29/43/35/448294335.db2.gz VNANLHJZUWELIX-SJLPKXTDSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000591230414 448294336 /nfs/dbraw/zinc/29/43/36/448294336.db2.gz VNANLHJZUWELIX-SJLPKXTDSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000591230414 448294337 /nfs/dbraw/zinc/29/43/37/448294337.db2.gz VNANLHJZUWELIX-SJLPKXTDSA-N 2 2 346.475 1.131 20 0 EDADLP CCOc1ccccc1OCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577728077 448371405 /nfs/dbraw/zinc/37/14/05/448371405.db2.gz VDMGVWILRLPZGZ-HNNXBMFYSA-N 2 2 335.448 1.346 20 0 EDADLP CCOc1ccccc1OCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577728077 448371412 /nfs/dbraw/zinc/37/14/12/448371412.db2.gz VDMGVWILRLPZGZ-HNNXBMFYSA-N 2 2 335.448 1.346 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)[nH]c(=O)c3)CC2)CC1 ZINC000577619599 448343456 /nfs/dbraw/zinc/34/34/56/448343456.db2.gz DEPCXKRCDFBUKY-UHFFFAOYSA-N 2 2 346.475 1.728 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)[nH]c(=O)c3)CC2)CC1 ZINC000577619599 448343461 /nfs/dbraw/zinc/34/34/61/448343461.db2.gz DEPCXKRCDFBUKY-UHFFFAOYSA-N 2 2 346.475 1.728 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000527747663 448349862 /nfs/dbraw/zinc/34/98/62/448349862.db2.gz TVNMBRWXAIASSA-UHFFFAOYSA-N 2 2 338.415 1.184 20 0 EDADLP Cc1cccn2c(C[NH2+]C[C@]3(CO)COCC4(CCC4)N3C)c[nH+]c12 ZINC000527755625 448353773 /nfs/dbraw/zinc/35/37/73/448353773.db2.gz UKOREDRRMBQRHL-IBGZPJMESA-N 2 2 344.459 1.348 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000591442715 448364712 /nfs/dbraw/zinc/36/47/12/448364712.db2.gz WYHJNEQPIICKGK-FUHWJXTLSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000591442715 448364713 /nfs/dbraw/zinc/36/47/13/448364713.db2.gz WYHJNEQPIICKGK-FUHWJXTLSA-N 2 2 331.460 1.395 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ncc(Br)cc1F ZINC000527657332 448331304 /nfs/dbraw/zinc/33/13/04/448331304.db2.gz PCFMWJKJYUYQJZ-NSHDSACASA-N 2 2 345.260 1.709 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000515619271 448335604 /nfs/dbraw/zinc/33/56/04/448335604.db2.gz LUECMZQSWQBKRI-FUHWJXTLSA-N 2 2 346.475 1.359 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591538360 448383913 /nfs/dbraw/zinc/38/39/13/448383913.db2.gz KDIZWGHEKCPPIL-OAHLLOKOSA-N 2 2 335.452 1.216 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000591573202 448393038 /nfs/dbraw/zinc/39/30/38/448393038.db2.gz KJDLTQVCZGRYKR-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000591573202 448393044 /nfs/dbraw/zinc/39/30/44/448393044.db2.gz KJDLTQVCZGRYKR-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000591573202 448393046 /nfs/dbraw/zinc/39/30/46/448393046.db2.gz KJDLTQVCZGRYKR-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000591573202 448393050 /nfs/dbraw/zinc/39/30/50/448393050.db2.gz KJDLTQVCZGRYKR-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)[C@H](C)[NH+]1CCOCC1 ZINC000591589203 448397511 /nfs/dbraw/zinc/39/75/11/448397511.db2.gz VBJKZCQXYVECBN-KBPBESRZSA-N 2 2 335.452 1.128 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)ccn12 ZINC000577884879 448411185 /nfs/dbraw/zinc/41/11/85/448411185.db2.gz YBXYDDASKXEAFR-INIZCTEOSA-N 2 2 330.432 1.609 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCCCC[N@H+]3CCC[C@H]3CO)ccn12 ZINC000577884879 448411194 /nfs/dbraw/zinc/41/11/94/448411194.db2.gz YBXYDDASKXEAFR-INIZCTEOSA-N 2 2 330.432 1.609 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000572619297 448425278 /nfs/dbraw/zinc/42/52/78/448425278.db2.gz FFYNBZWICHVJHD-GOSISDBHSA-N 2 2 348.491 1.747 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc(CO)cc(C)[nH+]2)cc1 ZINC000528143019 448445103 /nfs/dbraw/zinc/44/51/03/448445103.db2.gz ZEDZQMNOAZCAOO-QGZVFWFLSA-N 2 2 327.428 2.577 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNc2cc(CO)cc(C)[nH+]2)cc1 ZINC000528143019 448445108 /nfs/dbraw/zinc/44/51/08/448445108.db2.gz ZEDZQMNOAZCAOO-QGZVFWFLSA-N 2 2 327.428 2.577 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[NH+]3CC(C)(C)C3)c[nH+]2)C[C@H](C)O1 ZINC000516662347 448460842 /nfs/dbraw/zinc/46/08/42/448460842.db2.gz ZZDZVIDRVCGRKI-GJZGRUSLSA-N 2 2 346.475 1.653 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@@H]21 ZINC000516747731 448467498 /nfs/dbraw/zinc/46/74/98/448467498.db2.gz IRAZQKJOPGWGEK-YESZJQIVSA-N 2 2 343.475 1.951 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000578132648 448468847 /nfs/dbraw/zinc/46/88/47/448468847.db2.gz PRUHECCWAWAQFT-KGLIPLIRSA-N 2 2 335.448 1.552 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000578132648 448468849 /nfs/dbraw/zinc/46/88/49/448468849.db2.gz PRUHECCWAWAQFT-KGLIPLIRSA-N 2 2 335.448 1.552 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)ccn12 ZINC000516784737 448473701 /nfs/dbraw/zinc/47/37/01/448473701.db2.gz WMSSOVSQUBHXJU-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)ccn12 ZINC000516784737 448473706 /nfs/dbraw/zinc/47/37/06/448473706.db2.gz WMSSOVSQUBHXJU-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP CC[C@H](C)n1ncc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1C1CC1 ZINC000566549863 448503500 /nfs/dbraw/zinc/50/35/00/448503500.db2.gz UCJDVBWVXANNAA-JSGCOSHPSA-N 2 2 334.468 1.838 20 0 EDADLP CC[C@H](C)n1ncc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1C1CC1 ZINC000566549863 448503505 /nfs/dbraw/zinc/50/35/05/448503505.db2.gz UCJDVBWVXANNAA-JSGCOSHPSA-N 2 2 334.468 1.838 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000573157134 448555772 /nfs/dbraw/zinc/55/57/72/448555772.db2.gz CIOPWYBWIXBMST-CYBMUJFWSA-N 2 2 329.404 1.568 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000573216999 448572497 /nfs/dbraw/zinc/57/24/97/448572497.db2.gz WDXXVQWHYPVUIE-KRWDZBQOSA-N 2 2 337.439 1.333 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000573216999 448572502 /nfs/dbraw/zinc/57/25/02/448572502.db2.gz WDXXVQWHYPVUIE-KRWDZBQOSA-N 2 2 337.439 1.333 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)CC[NH2+]C3CC3)CC2)c1 ZINC000573219936 448573716 /nfs/dbraw/zinc/57/37/16/448573716.db2.gz RMBLWZBCDRINEN-UHFFFAOYSA-N 2 2 347.459 1.490 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000573073397 448535180 /nfs/dbraw/zinc/53/51/80/448535180.db2.gz BFQWLKFCFLZIAZ-UHFFFAOYSA-N 2 2 334.489 1.885 20 0 EDADLP COc1ccc([C@H](NC(=O)NC[C@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000566727230 448545450 /nfs/dbraw/zinc/54/54/50/448545450.db2.gz CTOGDVPGLGGNAD-ZBFHGGJFSA-N 2 2 343.431 1.569 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000536847876 448545475 /nfs/dbraw/zinc/54/54/75/448545475.db2.gz VXHXRBWGEHZYNO-LRDDRELGSA-N 2 2 327.494 1.015 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000536847876 448545481 /nfs/dbraw/zinc/54/54/81/448545481.db2.gz VXHXRBWGEHZYNO-LRDDRELGSA-N 2 2 327.494 1.015 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537213181 448551948 /nfs/dbraw/zinc/55/19/48/448551948.db2.gz XNNLZTNLPGJLRG-WMZOPIPTSA-N 2 2 344.459 1.270 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537213181 448551954 /nfs/dbraw/zinc/55/19/54/448551954.db2.gz XNNLZTNLPGJLRG-WMZOPIPTSA-N 2 2 344.459 1.270 20 0 EDADLP COc1cccc([C@H]2C[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2(C)C)c1 ZINC000528616908 448604531 /nfs/dbraw/zinc/60/45/31/448604531.db2.gz DBBDYKOFLLTPQW-GOSISDBHSA-N 2 2 345.487 1.895 20 0 EDADLP COc1cccc([C@H]2C[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2(C)C)c1 ZINC000528616908 448604536 /nfs/dbraw/zinc/60/45/36/448604536.db2.gz DBBDYKOFLLTPQW-GOSISDBHSA-N 2 2 345.487 1.895 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[NH2+]C2CC2)CC1 ZINC000573357740 448607951 /nfs/dbraw/zinc/60/79/51/448607951.db2.gz KNSUXUPXSGVBAV-UHFFFAOYSA-N 2 2 330.432 1.041 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000517536010 448588614 /nfs/dbraw/zinc/58/86/14/448588614.db2.gz UQRXOKVOQAHJJH-OAHLLOKOSA-N 2 2 332.448 1.565 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000573437193 448624802 /nfs/dbraw/zinc/62/48/02/448624802.db2.gz QZZCSEMPDOXOFA-APWZRJJASA-N 2 2 345.487 1.946 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000573437193 448624805 /nfs/dbraw/zinc/62/48/05/448624805.db2.gz QZZCSEMPDOXOFA-APWZRJJASA-N 2 2 345.487 1.946 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000573437205 448625298 /nfs/dbraw/zinc/62/52/98/448625298.db2.gz QZZCSEMPDOXOFA-VQIMIIECSA-N 2 2 345.487 1.946 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000573437205 448625299 /nfs/dbraw/zinc/62/52/99/448625299.db2.gz QZZCSEMPDOXOFA-VQIMIIECSA-N 2 2 345.487 1.946 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000584847271 448655240 /nfs/dbraw/zinc/65/52/40/448655240.db2.gz JLOBMCGQDAJAIN-UHFFFAOYSA-N 2 2 337.439 1.979 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3n[nH]c(C)n3)CC2)CC1 ZINC000567177902 448631550 /nfs/dbraw/zinc/63/15/50/448631550.db2.gz QTDYYRMRDWKBCK-ZDUSSCGKSA-N 2 2 348.495 1.487 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2oc(=O)[nH]c21 ZINC000517960627 448634792 /nfs/dbraw/zinc/63/47/92/448634792.db2.gz QJBXLPAPWHRROC-UHFFFAOYSA-N 2 2 346.431 1.631 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2oc(=O)[nH]c21 ZINC000517960627 448634798 /nfs/dbraw/zinc/63/47/98/448634798.db2.gz QJBXLPAPWHRROC-UHFFFAOYSA-N 2 2 346.431 1.631 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000567451926 448695550 /nfs/dbraw/zinc/69/55/50/448695550.db2.gz KOEUDZRUUDDQIY-UHFFFAOYSA-N 2 2 347.463 1.738 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC(=O)NCc1ccccc1 ZINC000579100426 448714125 /nfs/dbraw/zinc/71/41/25/448714125.db2.gz YYCCQPHGAHPWIE-IRXDYDNUSA-N 2 2 344.459 1.476 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC(=O)NCc1ccccc1 ZINC000579100426 448714130 /nfs/dbraw/zinc/71/41/30/448714130.db2.gz YYCCQPHGAHPWIE-IRXDYDNUSA-N 2 2 344.459 1.476 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000592092731 448677924 /nfs/dbraw/zinc/67/79/24/448677924.db2.gz AQPQCEKNMVJBOJ-GOSISDBHSA-N 2 2 342.443 1.772 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000592092731 448677931 /nfs/dbraw/zinc/67/79/31/448677931.db2.gz AQPQCEKNMVJBOJ-GOSISDBHSA-N 2 2 342.443 1.772 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000567369420 448679588 /nfs/dbraw/zinc/67/95/88/448679588.db2.gz KYRDOGAUZUHTGN-INIZCTEOSA-N 2 2 331.460 1.477 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000567369420 448679593 /nfs/dbraw/zinc/67/95/93/448679593.db2.gz KYRDOGAUZUHTGN-INIZCTEOSA-N 2 2 331.460 1.477 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567382911 448682517 /nfs/dbraw/zinc/68/25/17/448682517.db2.gz DHLPNDUHGVQPGP-UHFFFAOYSA-N 3 2 347.507 1.313 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567382911 448682523 /nfs/dbraw/zinc/68/25/23/448682523.db2.gz DHLPNDUHGVQPGP-UHFFFAOYSA-N 3 2 347.507 1.313 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1ccccn1)Cc1cccnc1 ZINC000519176790 448749707 /nfs/dbraw/zinc/74/97/07/448749707.db2.gz JUSDDFYMIRQWRU-LJQANCHMSA-N 2 2 328.460 1.834 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccccn1)Cc1cccnc1 ZINC000519176790 448749710 /nfs/dbraw/zinc/74/97/10/448749710.db2.gz JUSDDFYMIRQWRU-LJQANCHMSA-N 2 2 328.460 1.834 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000519176790 448749712 /nfs/dbraw/zinc/74/97/12/448749712.db2.gz JUSDDFYMIRQWRU-LJQANCHMSA-N 2 2 328.460 1.834 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000519176790 448749714 /nfs/dbraw/zinc/74/97/14/448749714.db2.gz JUSDDFYMIRQWRU-LJQANCHMSA-N 2 2 328.460 1.834 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+](C)C2CC([NH3+])C2)n[nH]1 ZINC000568049966 448807463 /nfs/dbraw/zinc/80/74/63/448807463.db2.gz BMWSZMUDNCOUIF-UHFFFAOYSA-N 2 2 328.420 1.449 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+](C)C2CC([NH3+])C2)n[nH]1 ZINC000568049966 448807467 /nfs/dbraw/zinc/80/74/67/448807467.db2.gz BMWSZMUDNCOUIF-UHFFFAOYSA-N 2 2 328.420 1.449 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)NCCCC[NH3+])c2cccs2)CC1 ZINC000574023820 448771448 /nfs/dbraw/zinc/77/14/48/448771448.db2.gz YUBFIHOGYAWMAY-CQSZACIVSA-N 2 2 339.509 1.075 20 0 EDADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000586751553 448796428 /nfs/dbraw/zinc/79/64/28/448796428.db2.gz CMAKZDWYVRQDBF-ZIAGYGMSSA-N 2 2 328.420 1.513 20 0 EDADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@H+]1CCC[C@@H](C)C1 ZINC000586751553 448796433 /nfs/dbraw/zinc/79/64/33/448796433.db2.gz CMAKZDWYVRQDBF-ZIAGYGMSSA-N 2 2 328.420 1.513 20 0 EDADLP C[C@@H]1CN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn2)CCO1 ZINC000519698129 448822092 /nfs/dbraw/zinc/82/20/92/448822092.db2.gz KASGJXROCIZSCU-DKSSEZFCSA-N 2 2 346.475 1.163 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c[nH+]1 ZINC000529332996 448829207 /nfs/dbraw/zinc/82/92/07/448829207.db2.gz UNNSGUBPHLMRQV-GOSISDBHSA-N 2 2 346.475 1.999 20 0 EDADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000519733379 448829546 /nfs/dbraw/zinc/82/95/46/448829546.db2.gz YDZFYDQSVANYRM-OXQOHEQNSA-N 2 2 345.487 1.895 20 0 EDADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000519733379 448829552 /nfs/dbraw/zinc/82/95/52/448829552.db2.gz YDZFYDQSVANYRM-OXQOHEQNSA-N 2 2 345.487 1.895 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529366213 448842002 /nfs/dbraw/zinc/84/20/02/448842002.db2.gz JEPVMBYLZGOJIQ-HUUCEWRRSA-N 2 2 348.495 2.089 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC(=O)NCc1ccccc1 ZINC000592476545 448853262 /nfs/dbraw/zinc/85/32/62/448853262.db2.gz ZQQTVVMLBHQGGO-DLBZAZTESA-N 2 2 344.459 1.476 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC(=O)NCc1ccccc1 ZINC000592476545 448853264 /nfs/dbraw/zinc/85/32/64/448853264.db2.gz ZQQTVVMLBHQGGO-DLBZAZTESA-N 2 2 344.459 1.476 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000574546037 448901010 /nfs/dbraw/zinc/90/10/10/448901010.db2.gz QCLLOVFZBVLVDK-INIZCTEOSA-N 2 2 347.463 1.250 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581428 448908135 /nfs/dbraw/zinc/90/81/35/448908135.db2.gz KHOHNFTZCWHXMM-NEPJUHHUSA-N 2 2 330.354 1.763 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581428 448908142 /nfs/dbraw/zinc/90/81/42/448908142.db2.gz KHOHNFTZCWHXMM-NEPJUHHUSA-N 2 2 330.354 1.763 20 0 EDADLP COC(=O)c1cc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c[nH]1 ZINC000589195936 448986730 /nfs/dbraw/zinc/98/67/30/448986730.db2.gz OZBBCRHDDMTKRG-INIZCTEOSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1cc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c[nH]1 ZINC000589195936 448986735 /nfs/dbraw/zinc/98/67/35/448986735.db2.gz OZBBCRHDDMTKRG-INIZCTEOSA-N 2 2 334.464 1.402 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000529805578 448966989 /nfs/dbraw/zinc/96/69/89/448966989.db2.gz VNWGVTNKIYLNDI-RBUKOAKNSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000529805578 448966996 /nfs/dbraw/zinc/96/69/96/448966996.db2.gz VNWGVTNKIYLNDI-RBUKOAKNSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000529805578 448967002 /nfs/dbraw/zinc/96/70/02/448967002.db2.gz VNWGVTNKIYLNDI-RBUKOAKNSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000529805578 448967007 /nfs/dbraw/zinc/96/70/07/448967007.db2.gz VNWGVTNKIYLNDI-RBUKOAKNSA-N 2 2 345.487 1.686 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC000529832015 448974785 /nfs/dbraw/zinc/97/47/85/448974785.db2.gz AHCQPLJYDMDDTK-INIZCTEOSA-N 2 2 328.416 1.591 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC000529832015 448974789 /nfs/dbraw/zinc/97/47/89/448974789.db2.gz AHCQPLJYDMDDTK-INIZCTEOSA-N 2 2 328.416 1.591 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC([N@@H+](C)C[C@H](C)O)CC3)[nH+]c12 ZINC000548049293 448976731 /nfs/dbraw/zinc/97/67/31/448976731.db2.gz OKAMJCZCLPMUCU-HNNXBMFYSA-N 2 2 344.459 1.489 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC([N@H+](C)C[C@H](C)O)CC3)[nH+]c12 ZINC000548049293 448976736 /nfs/dbraw/zinc/97/67/36/448976736.db2.gz OKAMJCZCLPMUCU-HNNXBMFYSA-N 2 2 344.459 1.489 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)nc(C(C)C)[nH+]1 ZINC000529846510 448984519 /nfs/dbraw/zinc/98/45/19/448984519.db2.gz VHKPKCRULKSALU-CQSZACIVSA-N 2 2 342.447 1.896 20 0 EDADLP CO[C@H](C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC000569232024 448984865 /nfs/dbraw/zinc/98/48/65/448984865.db2.gz FFETXHSAMRRPKU-NBMJBFSESA-N 2 2 336.476 1.304 20 0 EDADLP CO[C@H](C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC000569232024 448984868 /nfs/dbraw/zinc/98/48/68/448984868.db2.gz FFETXHSAMRRPKU-NBMJBFSESA-N 2 2 336.476 1.304 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000582062853 449002661 /nfs/dbraw/zinc/00/26/61/449002661.db2.gz DQBSEYSKTXOORQ-KRWDZBQOSA-N 2 2 337.489 1.512 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000582062853 449002666 /nfs/dbraw/zinc/00/26/66/449002666.db2.gz DQBSEYSKTXOORQ-KRWDZBQOSA-N 2 2 337.489 1.512 20 0 EDADLP CC(C)C[C@H](CNC(=O)C[N@@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000582070945 449004450 /nfs/dbraw/zinc/00/44/50/449004450.db2.gz CBWPAKBKTHUDNS-MRXNPFEDSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)C[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000582070945 449004454 /nfs/dbraw/zinc/00/44/54/449004454.db2.gz CBWPAKBKTHUDNS-MRXNPFEDSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccnc(OC(F)F)c2)C[C@@H](C)O1 ZINC000569333754 449004800 /nfs/dbraw/zinc/00/48/00/449004800.db2.gz TUNCTHCVWPLEFI-YRGRVCCFSA-N 2 2 345.390 1.243 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000575326858 449078100 /nfs/dbraw/zinc/07/81/00/449078100.db2.gz INWKAWVWKIKSLU-OAHLLOKOSA-N 2 2 334.464 1.549 20 0 EDADLP CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582290692 449057819 /nfs/dbraw/zinc/05/78/19/449057819.db2.gz VTFIQVVBMJDNRL-NVXWUHKLSA-N 2 2 348.491 1.957 20 0 EDADLP CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582290692 449057822 /nfs/dbraw/zinc/05/78/22/449057822.db2.gz VTFIQVVBMJDNRL-NVXWUHKLSA-N 2 2 348.491 1.957 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)no1 ZINC000582313326 449065582 /nfs/dbraw/zinc/06/55/82/449065582.db2.gz QYUITYKHUPBQJZ-UHFFFAOYSA-N 2 2 343.431 1.961 20 0 EDADLP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000593591206 449094002 /nfs/dbraw/zinc/09/40/02/449094002.db2.gz GGSNBEYWVHLNNG-OAHLLOKOSA-N 2 2 341.496 1.498 20 0 EDADLP COC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000595680872 449117103 /nfs/dbraw/zinc/11/71/03/449117103.db2.gz ZRECGHMYEHXCAZ-UHFFFAOYSA-N 2 2 330.428 1.656 20 0 EDADLP COC(=O)C12CC(C1)C[N@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000595680872 449117107 /nfs/dbraw/zinc/11/71/07/449117107.db2.gz ZRECGHMYEHXCAZ-UHFFFAOYSA-N 2 2 330.428 1.656 20 0 EDADLP COC(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000590241948 449119020 /nfs/dbraw/zinc/11/90/20/449119020.db2.gz GNFIAHPASPFDAM-CQSZACIVSA-N 2 2 348.447 1.042 20 0 EDADLP COC(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000590241948 449119023 /nfs/dbraw/zinc/11/90/23/449119023.db2.gz GNFIAHPASPFDAM-CQSZACIVSA-N 2 2 348.447 1.042 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOC3CCCC3)C2)CC1 ZINC000604177909 449186256 /nfs/dbraw/zinc/18/62/56/449186256.db2.gz IZEOUKRTLJQHLL-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOC3CCCC3)C2)CC1 ZINC000604177909 449186260 /nfs/dbraw/zinc/18/62/60/449186260.db2.gz IZEOUKRTLJQHLL-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP CCOC(=O)c1cccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000600174869 449227800 /nfs/dbraw/zinc/22/78/00/449227800.db2.gz QFKYIWDJDXLRMX-UHFFFAOYSA-N 2 2 329.404 1.314 20 0 EDADLP CCOC(=O)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601955033 449242753 /nfs/dbraw/zinc/24/27/53/449242753.db2.gz QVOMANJUUXFNMS-FQEVSTJZSA-N 2 2 346.471 1.899 20 0 EDADLP CCOC(=O)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601955033 449242759 /nfs/dbraw/zinc/24/27/59/449242759.db2.gz QVOMANJUUXFNMS-FQEVSTJZSA-N 2 2 346.471 1.899 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000590870508 449329101 /nfs/dbraw/zinc/32/91/01/449329101.db2.gz MWWHULTYUITEFP-QGZVFWFLSA-N 2 2 349.479 1.731 20 0 EDADLP O=S1(=O)c2cccc3cccc(c23)N1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613995158 449409753 /nfs/dbraw/zinc/40/97/53/449409753.db2.gz FZPKKVAOBODGBP-HUUCEWRRSA-N 2 2 343.452 1.500 20 0 EDADLP C[C@H](OCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602197218 449426635 /nfs/dbraw/zinc/42/66/35/449426635.db2.gz YTOGJZOIMCIFLQ-FUHWJXTLSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](OCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602197218 449426643 /nfs/dbraw/zinc/42/66/43/449426643.db2.gz YTOGJZOIMCIFLQ-FUHWJXTLSA-N 2 2 345.487 1.876 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000600643607 449469330 /nfs/dbraw/zinc/46/93/30/449469330.db2.gz IAYHFTLDDXPQIE-GOEBONIOSA-N 2 2 328.420 1.367 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000600643607 449469334 /nfs/dbraw/zinc/46/93/34/449469334.db2.gz IAYHFTLDDXPQIE-GOEBONIOSA-N 2 2 328.420 1.367 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2COC[C@H]2c2ccccc2)CC1 ZINC000611977717 449501440 /nfs/dbraw/zinc/50/14/40/449501440.db2.gz KIPSWQZZUBSLTI-RBUKOAKNSA-N 2 2 345.487 1.559 20 0 EDADLP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000594495573 449557138 /nfs/dbraw/zinc/55/71/38/449557138.db2.gz BYOAWSQCVNKWRU-SVQXRNPESA-N 2 2 328.522 1.909 20 0 EDADLP C[N@H+](CCO)Cc1cc(NC(=O)[C@@H]2CCC[NH+]2C)ccc1Cl ZINC000614382471 449586162 /nfs/dbraw/zinc/58/61/62/449586162.db2.gz DDBSTFNRPOWVPS-HNNXBMFYSA-N 2 2 325.840 1.797 20 0 EDADLP C[N@@H+](CCO)Cc1cc(NC(=O)[C@@H]2CCC[NH+]2C)ccc1Cl ZINC000614382471 449586166 /nfs/dbraw/zinc/58/61/66/449586166.db2.gz DDBSTFNRPOWVPS-HNNXBMFYSA-N 2 2 325.840 1.797 20 0 EDADLP C[NH+](CCO)Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1Cl ZINC000614382471 449586173 /nfs/dbraw/zinc/58/61/73/449586173.db2.gz DDBSTFNRPOWVPS-HNNXBMFYSA-N 2 2 325.840 1.797 20 0 EDADLP C[NH+](CCO)Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)ccc1Cl ZINC000614382471 449586177 /nfs/dbraw/zinc/58/61/77/449586177.db2.gz DDBSTFNRPOWVPS-HNNXBMFYSA-N 2 2 325.840 1.797 20 0 EDADLP CCO[C@@H](CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000607876364 449652116 /nfs/dbraw/zinc/65/21/16/449652116.db2.gz MJWNMGJSMGFWIR-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP Cc1ncc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000607907012 449664053 /nfs/dbraw/zinc/66/40/53/449664053.db2.gz NNGZRWGHMACXFX-GFCCVEGCSA-N 2 2 337.855 1.337 20 0 EDADLP Cc1ncc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000607907012 449664065 /nfs/dbraw/zinc/66/40/65/449664065.db2.gz NNGZRWGHMACXFX-GFCCVEGCSA-N 2 2 337.855 1.337 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)no2)[C@@H](C)C1 ZINC000602544295 449665564 /nfs/dbraw/zinc/66/55/64/449665564.db2.gz HKFVKIFXIVZMHU-DZGCQCFKSA-N 2 2 339.436 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)no2)[C@@H](C)C1 ZINC000602544295 449665569 /nfs/dbraw/zinc/66/55/69/449665569.db2.gz HKFVKIFXIVZMHU-DZGCQCFKSA-N 2 2 339.436 1.688 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000607733328 449642071 /nfs/dbraw/zinc/64/20/71/449642071.db2.gz QMSZHXAMVDFFRQ-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CCO)C1 ZINC000607733328 449642082 /nfs/dbraw/zinc/64/20/82/449642082.db2.gz QMSZHXAMVDFFRQ-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP CCOC(=O)c1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)[nH]1 ZINC000602520605 449646340 /nfs/dbraw/zinc/64/63/40/449646340.db2.gz IXPHFMSERQPPHA-UHFFFAOYSA-N 2 2 343.431 1.950 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000612431552 449700424 /nfs/dbraw/zinc/70/04/24/449700424.db2.gz MWSYLJNPYORHPG-WBVHZDCISA-N 2 2 332.448 1.159 20 0 EDADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CNc3ccnn3C2)Cc2ccccc2C1 ZINC000608058645 449739574 /nfs/dbraw/zinc/73/95/74/449739574.db2.gz VAOXPHWJGDILIX-OAHLLOKOSA-N 2 2 325.460 1.614 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)CO1 ZINC000617739413 449804277 /nfs/dbraw/zinc/80/42/77/449804277.db2.gz YMIQPPNRUHTUSN-GJZGRUSLSA-N 2 2 328.416 1.711 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)CO1 ZINC000617739413 449804282 /nfs/dbraw/zinc/80/42/82/449804282.db2.gz YMIQPPNRUHTUSN-GJZGRUSLSA-N 2 2 328.416 1.711 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC000617765648 449827117 /nfs/dbraw/zinc/82/71/17/449827117.db2.gz KWNCFGJRALCDKI-UHFFFAOYSA-N 3 2 326.510 1.423 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC000617765648 449827121 /nfs/dbraw/zinc/82/71/21/449827121.db2.gz KWNCFGJRALCDKI-UHFFFAOYSA-N 3 2 326.510 1.423 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000617765280 449827374 /nfs/dbraw/zinc/82/73/74/449827374.db2.gz ZPMINKVVSRFGGS-UHFFFAOYSA-N 3 2 346.519 1.435 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000617765280 449827381 /nfs/dbraw/zinc/82/73/81/449827381.db2.gz ZPMINKVVSRFGGS-UHFFFAOYSA-N 3 2 346.519 1.435 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000617765280 449827388 /nfs/dbraw/zinc/82/73/88/449827388.db2.gz ZPMINKVVSRFGGS-UHFFFAOYSA-N 3 2 346.519 1.435 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000617765280 449827395 /nfs/dbraw/zinc/82/73/95/449827395.db2.gz ZPMINKVVSRFGGS-UHFFFAOYSA-N 3 2 346.519 1.435 20 0 EDADLP Cc1ccnn1-c1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617768425 449834037 /nfs/dbraw/zinc/83/40/37/449834037.db2.gz CHLZZZZJZABWAP-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP Cc1ccnn1-c1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617768425 449834041 /nfs/dbraw/zinc/83/40/41/449834041.db2.gz CHLZZZZJZABWAP-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000601332047 449840430 /nfs/dbraw/zinc/84/04/30/449840430.db2.gz IOVBDTSTDQDDNN-PXAZEXFGSA-N 2 2 332.404 1.075 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000617733200 449794410 /nfs/dbraw/zinc/79/44/10/449794410.db2.gz OELBMRVQWCQYPY-GVDBMIGSSA-N 2 2 345.487 1.659 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000617733200 449794415 /nfs/dbraw/zinc/79/44/15/449794415.db2.gz OELBMRVQWCQYPY-GVDBMIGSSA-N 2 2 345.487 1.659 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000617733200 449794420 /nfs/dbraw/zinc/79/44/20/449794420.db2.gz OELBMRVQWCQYPY-GVDBMIGSSA-N 2 2 345.487 1.659 20 0 EDADLP C[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000617733200 449794424 /nfs/dbraw/zinc/79/44/24/449794424.db2.gz OELBMRVQWCQYPY-GVDBMIGSSA-N 2 2 345.487 1.659 20 0 EDADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000599399037 449945728 /nfs/dbraw/zinc/94/57/28/449945728.db2.gz JEQGIONSKWKYMS-ZBFHGGJFSA-N 2 2 335.448 1.713 20 0 EDADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000599399037 449945736 /nfs/dbraw/zinc/94/57/36/449945736.db2.gz JEQGIONSKWKYMS-ZBFHGGJFSA-N 2 2 335.448 1.713 20 0 EDADLP COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000602964691 449966471 /nfs/dbraw/zinc/96/64/71/449966471.db2.gz SDZKTAIFAQYQPP-CRAIPNDOSA-N 2 2 342.480 1.122 20 0 EDADLP COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000602964691 449966477 /nfs/dbraw/zinc/96/64/77/449966477.db2.gz SDZKTAIFAQYQPP-CRAIPNDOSA-N 2 2 342.480 1.122 20 0 EDADLP COC[C@@]1(C(=O)OC(C)(C)C)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000602964691 449966481 /nfs/dbraw/zinc/96/64/81/449966481.db2.gz SDZKTAIFAQYQPP-CRAIPNDOSA-N 2 2 342.480 1.122 20 0 EDADLP COC[C@@]1(C(=O)OC(C)(C)C)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000602964691 449966485 /nfs/dbraw/zinc/96/64/85/449966485.db2.gz SDZKTAIFAQYQPP-CRAIPNDOSA-N 2 2 342.480 1.122 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCOC[C@@H]3[C@@H]3CCC[N@H+]3C)[nH+]c12 ZINC000615265581 450029153 /nfs/dbraw/zinc/02/91/53/450029153.db2.gz PKQZMTVGIPXPRG-DLBZAZTESA-N 2 2 342.443 1.507 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCOC[C@@H]3[C@@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000615265581 450029156 /nfs/dbraw/zinc/02/91/56/450029156.db2.gz PKQZMTVGIPXPRG-DLBZAZTESA-N 2 2 342.443 1.507 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCOC[C@H]3[C@@H]3CCC[N@H+]3C)ccn12 ZINC000615274530 450040170 /nfs/dbraw/zinc/04/01/70/450040170.db2.gz JNTIQFCBYWWUTR-HOTGVXAUSA-N 2 2 328.416 1.578 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCOC[C@H]3[C@@H]3CCC[N@@H+]3C)ccn12 ZINC000615274530 450040173 /nfs/dbraw/zinc/04/01/73/450040173.db2.gz JNTIQFCBYWWUTR-HOTGVXAUSA-N 2 2 328.416 1.578 20 0 EDADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334690 450048062 /nfs/dbraw/zinc/04/80/62/450048062.db2.gz VPISVPZAWIHFAP-GJZGRUSLSA-N 2 2 339.480 1.203 20 0 EDADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334690 450048068 /nfs/dbraw/zinc/04/80/68/450048068.db2.gz VPISVPZAWIHFAP-GJZGRUSLSA-N 2 2 339.480 1.203 20 0 EDADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334690 450048074 /nfs/dbraw/zinc/04/80/74/450048074.db2.gz VPISVPZAWIHFAP-GJZGRUSLSA-N 2 2 339.480 1.203 20 0 EDADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595334690 450048078 /nfs/dbraw/zinc/04/80/78/450048078.db2.gz VPISVPZAWIHFAP-GJZGRUSLSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+]1CCC([N@H+](C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000595347281 450061654 /nfs/dbraw/zinc/06/16/54/450061654.db2.gz PNNOBRQPNMQIPT-OAHLLOKOSA-N 2 2 339.480 1.345 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000595347281 450061660 /nfs/dbraw/zinc/06/16/60/450061660.db2.gz PNNOBRQPNMQIPT-OAHLLOKOSA-N 2 2 339.480 1.345 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([NH+]2CCC([NH2+]C(C)C)CC2)C1=O ZINC000595364444 450076550 /nfs/dbraw/zinc/07/65/50/450076550.db2.gz QNQJZCJIGADDCG-OAHLLOKOSA-N 2 2 325.453 1.003 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[C@@H]([NH+]3CCOCC3)C1)C2 ZINC000615532812 450126945 /nfs/dbraw/zinc/12/69/45/450126945.db2.gz BZAVVMLAMMEOIP-HZPDHXFCSA-N 2 2 332.448 1.077 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@H+](C)C1 ZINC000601630636 450127769 /nfs/dbraw/zinc/12/77/69/450127769.db2.gz CZUWAXHAYLKLQX-OAHLLOKOSA-N 2 2 342.399 1.254 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@@H+](C)C1 ZINC000601630636 450127775 /nfs/dbraw/zinc/12/77/75/450127775.db2.gz CZUWAXHAYLKLQX-OAHLLOKOSA-N 2 2 342.399 1.254 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3C4CCC3CC4)CC2)cc1 ZINC000613578133 450233785 /nfs/dbraw/zinc/23/37/85/450233785.db2.gz XDAZZNXDSQTBAN-UHFFFAOYSA-N 2 2 343.471 1.966 20 0 EDADLP Cc1cn2nc(N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)sc2n1 ZINC000603820402 450353964 /nfs/dbraw/zinc/35/39/64/450353964.db2.gz ODVUOKMVUIACQC-AWEZNQCLSA-N 2 2 334.493 1.704 20 0 EDADLP Cc1cn2nc(N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)sc2n1 ZINC000603820402 450353968 /nfs/dbraw/zinc/35/39/68/450353968.db2.gz ODVUOKMVUIACQC-AWEZNQCLSA-N 2 2 334.493 1.704 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000625628609 450458065 /nfs/dbraw/zinc/45/80/65/450458065.db2.gz VMTAKVNERYAJJX-MRXNPFEDSA-N 2 2 340.439 1.608 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000625628609 450458069 /nfs/dbraw/zinc/45/80/69/450458069.db2.gz VMTAKVNERYAJJX-MRXNPFEDSA-N 2 2 340.439 1.608 20 0 EDADLP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000625939406 450538531 /nfs/dbraw/zinc/53/85/31/450538531.db2.gz XISRFFWVECHXNC-MRXNPFEDSA-N 2 2 346.431 1.107 20 0 EDADLP CCN1CC[NH+](CCC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000620770528 450540931 /nfs/dbraw/zinc/54/09/31/450540931.db2.gz CCVPAWHFPKSUPO-IBGZPJMESA-N 2 2 344.503 1.405 20 0 EDADLP CCN1CC[NH+](CCC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000620770528 450540934 /nfs/dbraw/zinc/54/09/34/450540934.db2.gz CCVPAWHFPKSUPO-IBGZPJMESA-N 2 2 344.503 1.405 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620770709 450541043 /nfs/dbraw/zinc/54/10/43/450541043.db2.gz UEMNAENAFUJDSC-IBGZPJMESA-N 2 2 345.487 1.880 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000620770709 450541046 /nfs/dbraw/zinc/54/10/46/450541046.db2.gz UEMNAENAFUJDSC-IBGZPJMESA-N 2 2 345.487 1.880 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000623619220 450553210 /nfs/dbraw/zinc/55/32/10/450553210.db2.gz XQPXZRIYMCGKTL-KRWDZBQOSA-N 2 2 327.432 1.302 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000623619220 450553213 /nfs/dbraw/zinc/55/32/13/450553213.db2.gz XQPXZRIYMCGKTL-KRWDZBQOSA-N 2 2 327.432 1.302 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000623620923 450553715 /nfs/dbraw/zinc/55/37/15/450553715.db2.gz HNRGGTBNINKJDX-HRCADAONSA-N 2 2 348.491 1.758 20 0 EDADLP COC[C@@H](C)[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000626134073 450580230 /nfs/dbraw/zinc/58/02/30/450580230.db2.gz AALSTGXEEZGEJP-VQIMIIECSA-N 2 2 345.487 1.785 20 0 EDADLP COC[C@@H](C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000626134073 450580232 /nfs/dbraw/zinc/58/02/32/450580232.db2.gz AALSTGXEEZGEJP-VQIMIIECSA-N 2 2 345.487 1.785 20 0 EDADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000626168264 450599134 /nfs/dbraw/zinc/59/91/34/450599134.db2.gz NUORDMDZJCBUBD-MRXNPFEDSA-N 2 2 348.472 1.634 20 0 EDADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000626168264 450599139 /nfs/dbraw/zinc/59/91/39/450599139.db2.gz NUORDMDZJCBUBD-MRXNPFEDSA-N 2 2 348.472 1.634 20 0 EDADLP [NH3+]C1(C[NH2+]Cc2cc3c(cc2Br)OCO3)CCOCC1 ZINC000629388604 450642238 /nfs/dbraw/zinc/64/22/38/450642238.db2.gz UUHRPCZFWWLTNC-UHFFFAOYSA-N 2 2 343.221 1.775 20 0 EDADLP COc1ccc(C[NH2+]CC2([NH3+])CCOCC2)c(Br)c1O ZINC000629387266 450642838 /nfs/dbraw/zinc/64/28/38/450642838.db2.gz GMQAMNULWMXCPJ-UHFFFAOYSA-N 2 2 345.237 1.761 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC[N@@H+]1C ZINC000631580124 450664052 /nfs/dbraw/zinc/66/40/52/450664052.db2.gz HCJCCYMGHINFCH-OAHLLOKOSA-N 2 2 333.480 1.604 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC[N@H+]1C ZINC000631580124 450664054 /nfs/dbraw/zinc/66/40/54/450664054.db2.gz HCJCCYMGHINFCH-OAHLLOKOSA-N 2 2 333.480 1.604 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C[C@@H]1n1cc[nH+]c1 ZINC000633098711 450683683 /nfs/dbraw/zinc/68/36/83/450683683.db2.gz FGEVMLGQSPNAJU-PMPSAXMXSA-N 2 2 347.463 1.023 20 0 EDADLP CC(C)CC[C@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000624109838 450709010 /nfs/dbraw/zinc/70/90/10/450709010.db2.gz IKPWXVVXQSKOOU-GOSISDBHSA-N 2 2 327.513 1.170 20 0 EDADLP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000624109838 450709015 /nfs/dbraw/zinc/70/90/15/450709015.db2.gz IKPWXVVXQSKOOU-GOSISDBHSA-N 2 2 327.513 1.170 20 0 EDADLP O[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)COCc1ccccc1 ZINC000629555512 450733123 /nfs/dbraw/zinc/73/31/23/450733123.db2.gz WBUACZQCUKQKSB-QYZOEREBSA-N 2 2 334.460 1.311 20 0 EDADLP CCN(CC[NH3+])CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000629557165 450735382 /nfs/dbraw/zinc/73/53/82/450735382.db2.gz WBTLJVLOLVWLET-UHFFFAOYSA-N 2 2 338.883 1.265 20 0 EDADLP O[C@H](CNC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000629575434 450744503 /nfs/dbraw/zinc/74/45/03/450744503.db2.gz NLTJZOBBVLASDL-RBUKOAKNSA-N 2 2 349.544 1.650 20 0 EDADLP O[C@H](CNC[C@H]1CSCC[N@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000629575434 450744507 /nfs/dbraw/zinc/74/45/07/450744507.db2.gz NLTJZOBBVLASDL-RBUKOAKNSA-N 2 2 349.544 1.650 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629585497 450749762 /nfs/dbraw/zinc/74/97/62/450749762.db2.gz VTQSWXRSBZSVTK-BGYRXZFFSA-N 2 2 344.503 1.561 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629585497 450749768 /nfs/dbraw/zinc/74/97/68/450749768.db2.gz VTQSWXRSBZSVTK-BGYRXZFFSA-N 2 2 344.503 1.561 20 0 EDADLP COc1cccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1OC(C)C ZINC000629653647 450772779 /nfs/dbraw/zinc/77/27/79/450772779.db2.gz SDQHVEKMQNBOAM-UHFFFAOYSA-N 2 2 332.404 1.727 20 0 EDADLP COc1ccc(-c2nnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s2)cc1 ZINC000629606815 450760122 /nfs/dbraw/zinc/76/01/22/450760122.db2.gz MKWKBSCXYLFXPB-LBPRGKRZSA-N 2 2 335.433 1.431 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000635254839 450786405 /nfs/dbraw/zinc/78/64/05/450786405.db2.gz JDNJWQMTLFAGCI-KRWDZBQOSA-N 2 2 344.459 1.497 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000635254839 450786410 /nfs/dbraw/zinc/78/64/10/450786410.db2.gz JDNJWQMTLFAGCI-KRWDZBQOSA-N 2 2 344.459 1.497 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000621641275 450806832 /nfs/dbraw/zinc/80/68/32/450806832.db2.gz FUYQOUFIKVYIHV-HNNXBMFYSA-N 2 2 332.448 1.314 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C2(C[NH+](C)C)CC2)[NH+]2CCOCC2)c1 ZINC000635278006 450807909 /nfs/dbraw/zinc/80/79/09/450807909.db2.gz KDCZDZFRUCMHBQ-SFHVURJKSA-N 2 2 345.487 1.826 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000631858363 450829660 /nfs/dbraw/zinc/82/96/60/450829660.db2.gz XIVDAVXQRISVBN-ZIAGYGMSSA-N 2 2 330.432 1.564 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000631858363 450829663 /nfs/dbraw/zinc/82/96/63/450829663.db2.gz XIVDAVXQRISVBN-ZIAGYGMSSA-N 2 2 330.432 1.564 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)c[nH+]2)C[C@H](C)O1 ZINC000635314578 450837507 /nfs/dbraw/zinc/83/75/07/450837507.db2.gz GPUVUUUFAJVKGJ-OWCLPIDISA-N 2 2 346.475 1.653 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)c[nH+]2)C[C@H](C)O1 ZINC000635314578 450837509 /nfs/dbraw/zinc/83/75/09/450837509.db2.gz GPUVUUUFAJVKGJ-OWCLPIDISA-N 2 2 346.475 1.653 20 0 EDADLP CCc1c[nH]c(CC(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)[nH+]1 ZINC000635262510 450791933 /nfs/dbraw/zinc/79/19/33/450791933.db2.gz ZIXYGTCQOAHPBT-MRXNPFEDSA-N 2 2 336.480 1.768 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000621826322 450880547 /nfs/dbraw/zinc/88/05/47/450880547.db2.gz ULJXVXMTAQMWNF-AWEZNQCLSA-N 2 2 347.463 1.210 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C)[NH+](C)C)CCCC2)no1 ZINC000635420164 450927179 /nfs/dbraw/zinc/92/71/79/450927179.db2.gz AXNZGZCKIJWLMS-CYBMUJFWSA-N 2 2 337.468 1.747 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635420488 450927450 /nfs/dbraw/zinc/92/74/50/450927450.db2.gz BSZDDKBOXAXKTR-CYBMUJFWSA-N 2 2 348.369 1.557 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635420488 450927455 /nfs/dbraw/zinc/92/74/55/450927455.db2.gz BSZDDKBOXAXKTR-CYBMUJFWSA-N 2 2 348.369 1.557 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000635459376 450959112 /nfs/dbraw/zinc/95/91/12/450959112.db2.gz NQBKSMWCTWDBLV-OAHLLOKOSA-N 2 2 344.459 1.862 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000624727025 450964299 /nfs/dbraw/zinc/96/42/99/450964299.db2.gz BDBCRVYOIBEVKW-FUHWJXTLSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000624727025 450964301 /nfs/dbraw/zinc/96/43/01/450964301.db2.gz BDBCRVYOIBEVKW-FUHWJXTLSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000624727025 450964309 /nfs/dbraw/zinc/96/43/09/450964309.db2.gz BDBCRVYOIBEVKW-FUHWJXTLSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000624727025 450964313 /nfs/dbraw/zinc/96/43/13/450964313.db2.gz BDBCRVYOIBEVKW-FUHWJXTLSA-N 2 2 346.475 1.233 20 0 EDADLP COCCOCC[N@H+](C)CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000635489547 450986538 /nfs/dbraw/zinc/98/65/38/450986538.db2.gz FXHZPVKGZVTCAV-OAHLLOKOSA-N 2 2 338.452 1.101 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[NH2+]1 ZINC000626889886 450986684 /nfs/dbraw/zinc/98/66/84/450986684.db2.gz JBTUDSPSBRSYHT-IUODEOHRSA-N 2 2 341.415 1.282 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000626923594 451007897 /nfs/dbraw/zinc/00/78/97/451007897.db2.gz WSYNNSVEKCJWSS-IUODEOHRSA-N 2 2 340.855 1.230 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000632080299 451020413 /nfs/dbraw/zinc/02/04/13/451020413.db2.gz SQEJUASFGVFAFY-UHFFFAOYSA-N 2 2 326.466 1.405 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627930270 451028375 /nfs/dbraw/zinc/02/83/75/451028375.db2.gz YRVBCPJPHVGEQX-UHFFFAOYSA-N 2 2 328.416 1.324 20 0 EDADLP C[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000632099873 451036402 /nfs/dbraw/zinc/03/64/02/451036402.db2.gz QAIOOTPTZOSCBV-CVEARBPZSA-N 2 2 340.493 1.582 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)C3CCCC3)C2)CC1 ZINC000633865183 451052125 /nfs/dbraw/zinc/05/21/25/451052125.db2.gz GNOWJSBXUWCFAY-DOTOQJQBSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)C3CCCC3)C2)CC1 ZINC000633865183 451052132 /nfs/dbraw/zinc/05/21/32/451052132.db2.gz GNOWJSBXUWCFAY-DOTOQJQBSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@@H](CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000635592741 451089463 /nfs/dbraw/zinc/08/94/63/451089463.db2.gz WXWRNMMDCDNGMJ-STQMWFEESA-N 2 2 348.369 1.461 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[C@@H]1C(F)(F)F ZINC000627040380 451096983 /nfs/dbraw/zinc/09/69/83/451096983.db2.gz IJJPFWFDIKPXEU-MXWKQRLJSA-N 2 2 345.369 1.436 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[C@@H]1C(F)(F)F ZINC000627040380 451096987 /nfs/dbraw/zinc/09/69/87/451096987.db2.gz IJJPFWFDIKPXEU-MXWKQRLJSA-N 2 2 345.369 1.436 20 0 EDADLP C[C@H](NS(=O)(=O)CC1([NH+](C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000632227840 451130013 /nfs/dbraw/zinc/13/00/13/451130013.db2.gz KXTLKSNVVDLYFH-HOCLYGCPSA-N 2 2 339.505 1.691 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635677480 451162067 /nfs/dbraw/zinc/16/20/67/451162067.db2.gz STASVALYLJJPBD-RTXFEEFZSA-N 2 2 330.354 1.976 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635677480 451162071 /nfs/dbraw/zinc/16/20/71/451162071.db2.gz STASVALYLJJPBD-RTXFEEFZSA-N 2 2 330.354 1.976 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000622522348 451163589 /nfs/dbraw/zinc/16/35/89/451163589.db2.gz WKABMJURIUOXMJ-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000622522348 451163600 /nfs/dbraw/zinc/16/36/00/451163600.db2.gz WKABMJURIUOXMJ-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CCCN(C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@H]1CC[NH2+]C1 ZINC000627179457 451168459 /nfs/dbraw/zinc/16/84/59/451168459.db2.gz TZPJGIBVQJRWQL-HNNXBMFYSA-N 2 2 348.495 2.104 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000630419177 451177960 /nfs/dbraw/zinc/17/79/60/451177960.db2.gz PSEYRCKGIAHCJT-SJLPKXTDSA-N 2 2 341.459 1.950 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000630419177 451177967 /nfs/dbraw/zinc/17/79/67/451177967.db2.gz PSEYRCKGIAHCJT-SJLPKXTDSA-N 2 2 341.459 1.950 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627216011 451191732 /nfs/dbraw/zinc/19/17/32/451191732.db2.gz MTTLEDBQCWNXJP-CQSZACIVSA-N 2 2 340.493 1.502 20 0 EDADLP C[NH+]1CCC(CCO)(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000632321577 451198086 /nfs/dbraw/zinc/19/80/86/451198086.db2.gz AGWFAEMFVVQMBZ-UHFFFAOYSA-N 2 2 328.416 1.653 20 0 EDADLP C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1cncnc1 ZINC000634194351 451230648 /nfs/dbraw/zinc/23/06/48/451230648.db2.gz UXWVYSOMLNVNTQ-ZDUSSCGKSA-N 2 2 326.404 1.366 20 0 EDADLP Cc1nnc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000634195143 451233068 /nfs/dbraw/zinc/23/30/68/451233068.db2.gz ZMEOKJCDGCNARI-UHFFFAOYSA-N 2 2 332.433 1.175 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000635788381 451240836 /nfs/dbraw/zinc/24/08/36/451240836.db2.gz BBLDALMMJZHZBI-KRWDZBQOSA-N 2 2 328.416 1.362 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000635788381 451240841 /nfs/dbraw/zinc/24/08/41/451240841.db2.gz BBLDALMMJZHZBI-KRWDZBQOSA-N 2 2 328.416 1.362 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000640322250 451250817 /nfs/dbraw/zinc/25/08/17/451250817.db2.gz URDNVQKBEVUKPQ-SJORKVTESA-N 2 2 342.443 1.505 20 0 EDADLP [NH3+]Cc1ncc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cn1 ZINC000638089132 451252990 /nfs/dbraw/zinc/25/29/90/451252990.db2.gz NXCTXSYIKGYYET-UHFFFAOYSA-N 2 2 343.456 1.736 20 0 EDADLP CCC[C@@H](C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)OC ZINC000638102451 451269536 /nfs/dbraw/zinc/26/95/36/451269536.db2.gz VIXSBIBVUSHGCF-INIZCTEOSA-N 2 2 349.479 1.250 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C[C@H]1C ZINC000638121549 451290242 /nfs/dbraw/zinc/29/02/42/451290242.db2.gz GAZWJXJMYAFMRO-NZSAHSFTSA-N 2 2 346.519 1.777 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C[C@H]1C ZINC000638121549 451290245 /nfs/dbraw/zinc/29/02/45/451290245.db2.gz GAZWJXJMYAFMRO-NZSAHSFTSA-N 2 2 346.519 1.777 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636557992 451301363 /nfs/dbraw/zinc/30/13/63/451301363.db2.gz HMXHSXDPNNBHBV-WMZOPIPTSA-N 2 2 339.443 1.944 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638232460 451371730 /nfs/dbraw/zinc/37/17/30/451371730.db2.gz BKVASORPNCTCIN-TZMCWYRMSA-N 2 2 330.354 1.979 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638248517 451381017 /nfs/dbraw/zinc/38/10/17/451381017.db2.gz FHUUAGIARMSFQU-OKILXGFUSA-N 2 2 326.400 1.650 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638278045 451396717 /nfs/dbraw/zinc/39/67/17/451396717.db2.gz PULZHAIIVXSFET-RDTXWAMCSA-N 2 2 335.423 1.409 20 0 EDADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000636677155 451407267 /nfs/dbraw/zinc/40/72/67/451407267.db2.gz WEPYIEFVUCKHHO-INIZCTEOSA-N 2 2 327.432 1.759 20 0 EDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000636677155 451407272 /nfs/dbraw/zinc/40/72/72/451407272.db2.gz WEPYIEFVUCKHHO-INIZCTEOSA-N 2 2 327.432 1.759 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCCC[N@H+]1CCO ZINC000635976529 451412846 /nfs/dbraw/zinc/41/28/46/451412846.db2.gz JYAKAGAIGPZZPT-STQMWFEESA-N 2 2 348.369 1.340 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000635976529 451412852 /nfs/dbraw/zinc/41/28/52/451412852.db2.gz JYAKAGAIGPZZPT-STQMWFEESA-N 2 2 348.369 1.340 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)cn1 ZINC000630824397 451421511 /nfs/dbraw/zinc/42/15/11/451421511.db2.gz YEYYUJFYFOPZCX-UHFFFAOYSA-N 2 2 327.432 1.190 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000636703106 451429068 /nfs/dbraw/zinc/42/90/68/451429068.db2.gz QSZGDDUYTNORKH-AWEZNQCLSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000636703106 451429074 /nfs/dbraw/zinc/42/90/74/451429074.db2.gz QSZGDDUYTNORKH-AWEZNQCLSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)[C@@H](C)C[N@@H+]1CCO ZINC000636034985 451455924 /nfs/dbraw/zinc/45/59/24/451455924.db2.gz LTSKECXWWJILKB-KGLIPLIRSA-N 2 2 344.415 1.105 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)[C@@H](C)C[N@H+]1CCO ZINC000636034985 451455930 /nfs/dbraw/zinc/45/59/30/451455930.db2.gz LTSKECXWWJILKB-KGLIPLIRSA-N 2 2 344.415 1.105 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cc[nH+]c(N(C)C)c2)C[C@H](C)O1 ZINC000640609879 451457272 /nfs/dbraw/zinc/45/72/72/451457272.db2.gz OGSDPANUBLNDSY-OKILXGFUSA-N 2 2 335.452 1.768 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)Nc2cc[nH+]c(N(C)C)c2)C[C@H](C)O1 ZINC000640609879 451457275 /nfs/dbraw/zinc/45/72/75/451457275.db2.gz OGSDPANUBLNDSY-OKILXGFUSA-N 2 2 335.452 1.768 20 0 EDADLP COC[C@@]1(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CCCC[NH2+]1 ZINC000638378240 451473739 /nfs/dbraw/zinc/47/37/39/451473739.db2.gz ZJFCNGQYKNFISV-GOSISDBHSA-N 2 2 330.432 1.460 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640628944 451476164 /nfs/dbraw/zinc/47/61/64/451476164.db2.gz RDTFDDJCAQCHPJ-RHSMWYFYSA-N 2 2 347.463 1.470 20 0 EDADLP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000628921673 451486021 /nfs/dbraw/zinc/48/60/21/451486021.db2.gz RMDYDJYFJDXMTJ-QGZVFWFLSA-N 2 2 349.475 1.468 20 0 EDADLP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000628921673 451486022 /nfs/dbraw/zinc/48/60/22/451486022.db2.gz RMDYDJYFJDXMTJ-QGZVFWFLSA-N 2 2 349.475 1.468 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640601589 451446204 /nfs/dbraw/zinc/44/62/04/451446204.db2.gz JDVQCXLCZZAKIJ-ZDUSSCGKSA-N 2 2 335.452 1.457 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640601589 451446206 /nfs/dbraw/zinc/44/62/06/451446206.db2.gz JDVQCXLCZZAKIJ-ZDUSSCGKSA-N 2 2 335.452 1.457 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000631043417 451549582 /nfs/dbraw/zinc/54/95/82/451549582.db2.gz VLROVZLQNCMGNI-UHFFFAOYSA-N 2 2 329.452 1.296 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC4(CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000634810221 451565451 /nfs/dbraw/zinc/56/54/51/451565451.db2.gz PYFXTZZKTBVWOI-OAHLLOKOSA-N 2 2 331.464 1.265 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC4(CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000634810221 451565454 /nfs/dbraw/zinc/56/54/54/451565454.db2.gz PYFXTZZKTBVWOI-OAHLLOKOSA-N 2 2 331.464 1.265 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C[C@H]1C[NH3+] ZINC000634811149 451566428 /nfs/dbraw/zinc/56/64/28/451566428.db2.gz VPYWHYFUUXVICC-QKPAOTATSA-N 2 2 333.480 1.637 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@H]1C[NH3+] ZINC000634811149 451566431 /nfs/dbraw/zinc/56/64/31/451566431.db2.gz VPYWHYFUUXVICC-QKPAOTATSA-N 2 2 333.480 1.637 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C[C@@H]1C[NH3+] ZINC000634811148 451567457 /nfs/dbraw/zinc/56/74/57/451567457.db2.gz VPYWHYFUUXVICC-FXUDXRNXSA-N 2 2 333.480 1.637 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@@H]1C[NH3+] ZINC000634811148 451567459 /nfs/dbraw/zinc/56/74/59/451567459.db2.gz VPYWHYFUUXVICC-FXUDXRNXSA-N 2 2 333.480 1.637 20 0 EDADLP O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631070609 451567729 /nfs/dbraw/zinc/56/77/29/451567729.db2.gz BGMDHFFJYVEUAQ-RTBURBONSA-N 2 2 334.460 1.791 20 0 EDADLP Cc1cc(NCCNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000638583942 451589170 /nfs/dbraw/zinc/58/91/70/451589170.db2.gz OTSCDFSXRHRXSK-GDBMZVCRSA-N 2 2 347.507 2.462 20 0 EDADLP OC[C@@H](CC(F)F)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631122769 451596142 /nfs/dbraw/zinc/59/61/42/451596142.db2.gz XOZXBRUBDNBJAZ-OAHLLOKOSA-N 2 2 344.402 1.503 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638601665 451599816 /nfs/dbraw/zinc/59/98/16/451599816.db2.gz PEROCHYXMOYHRR-MRXNPFEDSA-N 3 2 339.528 1.314 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638601665 451599822 /nfs/dbraw/zinc/59/98/22/451599822.db2.gz PEROCHYXMOYHRR-MRXNPFEDSA-N 3 2 339.528 1.314 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)n2cc([C@H]([NH3+])c3ccccc3)nn2)CC1 ZINC000640831558 451616579 /nfs/dbraw/zinc/61/65/79/451616579.db2.gz UUVDXHJXLSJRKI-WMLDXEAASA-N 2 2 342.447 1.051 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638641626 451626640 /nfs/dbraw/zinc/62/66/40/451626640.db2.gz GAHLICCRWHGHLC-INMHGKMJSA-N 2 2 348.466 1.593 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000634984975 451636267 /nfs/dbraw/zinc/63/62/67/451636267.db2.gz HTNLYOZAEWBESF-SFHVURJKSA-N 2 2 333.476 1.502 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000634984975 451636270 /nfs/dbraw/zinc/63/62/70/451636270.db2.gz HTNLYOZAEWBESF-SFHVURJKSA-N 2 2 333.476 1.502 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000631223964 451648951 /nfs/dbraw/zinc/64/89/51/451648951.db2.gz JDKUTWPWJHJDSC-GFCCVEGCSA-N 2 2 332.477 1.844 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000631246817 451659992 /nfs/dbraw/zinc/65/99/92/451659992.db2.gz KQCMLIPTRDPDRB-MAUKXSAKSA-N 2 2 330.476 1.812 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000631246817 451659996 /nfs/dbraw/zinc/65/99/96/451659996.db2.gz KQCMLIPTRDPDRB-MAUKXSAKSA-N 2 2 330.476 1.812 20 0 EDADLP CN(C(=O)c1ncc2ccccn21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247540 451660787 /nfs/dbraw/zinc/66/07/87/451660787.db2.gz WYADWKSZLLXEJN-KRWDZBQOSA-N 2 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1ncc2ccccn21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247540 451660793 /nfs/dbraw/zinc/66/07/93/451660793.db2.gz WYADWKSZLLXEJN-KRWDZBQOSA-N 2 2 341.459 1.575 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000631282999 451680808 /nfs/dbraw/zinc/68/08/08/451680808.db2.gz ZBRSGGIHCXYVCH-HNNXBMFYSA-N 2 2 341.459 1.833 20 0 EDADLP Cc1nc(NC[C@@H](O)C[NH+]2CCCCC2)c(Br)c(C)[nH+]1 ZINC000631313002 451691458 /nfs/dbraw/zinc/69/14/58/451691458.db2.gz HTQDAXPHONLWOO-GFCCVEGCSA-N 2 2 343.269 2.115 20 0 EDADLP COc1cc[nH+]c(Cn2cc(C[C@H]([NH3+])c3ccccc3)nn2)c1OC ZINC000640941990 451699035 /nfs/dbraw/zinc/69/90/35/451699035.db2.gz KXUZBJPQCAPDNZ-HNNXBMFYSA-N 2 2 339.399 1.981 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CCc2ccncc2)CC1)[NH+](CC)CC ZINC000636296447 451667455 /nfs/dbraw/zinc/66/74/55/451667455.db2.gz HLYQOEYUSNJYGH-SFHVURJKSA-N 2 2 332.492 1.889 20 0 EDADLP [NH3+]C1(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000638730618 451668529 /nfs/dbraw/zinc/66/85/29/451668529.db2.gz BRSZCJJDMODPFH-INIZCTEOSA-N 2 2 332.448 1.060 20 0 EDADLP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)CCCCC1 ZINC000638730618 451668532 /nfs/dbraw/zinc/66/85/32/451668532.db2.gz BRSZCJJDMODPFH-INIZCTEOSA-N 2 2 332.448 1.060 20 0 EDADLP Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631396322 451723457 /nfs/dbraw/zinc/72/34/57/451723457.db2.gz PKDMOKCCFAUQOM-MRXNPFEDSA-N 2 2 326.448 2.109 20 0 EDADLP Cc1nc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631396322 451723458 /nfs/dbraw/zinc/72/34/58/451723458.db2.gz PKDMOKCCFAUQOM-MRXNPFEDSA-N 2 2 326.448 2.109 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638972178 451743926 /nfs/dbraw/zinc/74/39/26/451743926.db2.gz UDCSGHISZMJCDO-QWHCGFSZSA-N 2 2 341.477 1.670 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638972178 451743929 /nfs/dbraw/zinc/74/39/29/451743929.db2.gz UDCSGHISZMJCDO-QWHCGFSZSA-N 2 2 341.477 1.670 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1n[nH]c2c1CCCC2 ZINC000638988603 451748540 /nfs/dbraw/zinc/74/85/40/451748540.db2.gz ZKPRQGYLSQJBMO-UHFFFAOYSA-N 2 2 326.404 1.345 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000639022566 451753620 /nfs/dbraw/zinc/75/36/20/451753620.db2.gz JPAZJCBJKMUSIE-DLBZAZTESA-N 2 2 345.491 1.233 20 0 EDADLP Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1Br ZINC000639035281 451755322 /nfs/dbraw/zinc/75/53/22/451755322.db2.gz BGUFUGOLPVPRSW-CYBMUJFWSA-N 2 2 328.254 1.653 20 0 EDADLP C[N@@H+]1CCN(CC(C)(C)[NH+]2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000639148003 451777492 /nfs/dbraw/zinc/77/74/92/451777492.db2.gz APOKIKNKGXZHMQ-LJQANCHMSA-N 2 2 331.504 1.956 20 0 EDADLP C[N@H+]1CCN(CC(C)(C)[NH+]2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000639148003 451777494 /nfs/dbraw/zinc/77/74/94/451777494.db2.gz APOKIKNKGXZHMQ-LJQANCHMSA-N 2 2 331.504 1.956 20 0 EDADLP C[C@@H]1[C@H](C)N(Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[N@H+]1C ZINC000639058748 451759852 /nfs/dbraw/zinc/75/98/52/451759852.db2.gz VBRNRBKYFXYYFA-MSOLQXFVSA-N 2 2 347.503 1.922 20 0 EDADLP C[C@@H]1[C@H](C)N(Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[N@@H+]1C ZINC000639058748 451759854 /nfs/dbraw/zinc/75/98/54/451759854.db2.gz VBRNRBKYFXYYFA-MSOLQXFVSA-N 2 2 347.503 1.922 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639058483 451759930 /nfs/dbraw/zinc/75/99/30/451759930.db2.gz NZRACHBHXGZCKS-QZTJIDSGSA-N 2 2 347.503 1.922 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639058483 451759933 /nfs/dbraw/zinc/75/99/33/451759933.db2.gz NZRACHBHXGZCKS-QZTJIDSGSA-N 2 2 347.503 1.922 20 0 EDADLP OCC[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639073853 451762033 /nfs/dbraw/zinc/76/20/33/451762033.db2.gz JATRVIUBCJCBPV-GOSISDBHSA-N 2 2 334.460 1.744 20 0 EDADLP OCC[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639073853 451762036 /nfs/dbraw/zinc/76/20/36/451762036.db2.gz JATRVIUBCJCBPV-GOSISDBHSA-N 2 2 334.460 1.744 20 0 EDADLP COC[C@@H]([NH3+])Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2C)nn1 ZINC000641164455 451766927 /nfs/dbraw/zinc/76/69/27/451766927.db2.gz OQYRVNAWVGRCLJ-HNNXBMFYSA-N 2 2 326.404 1.337 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc(CC[NH+](C)C)nn3)c2cc1C ZINC000641214377 451783652 /nfs/dbraw/zinc/78/36/52/451783652.db2.gz UGUUYLXWPKBRTI-MRXNPFEDSA-N 2 2 342.447 1.410 20 0 EDADLP CCn1ncnc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000639170162 451784720 /nfs/dbraw/zinc/78/47/20/451784720.db2.gz WKOCVFMTMCGIJH-UHFFFAOYSA-N 2 2 348.495 1.112 20 0 EDADLP Cc1cc(NCCNC(=O)N(C)CC[N@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000637411599 451839820 /nfs/dbraw/zinc/83/98/20/451839820.db2.gz QJIXRPLMCNWHJS-UHFFFAOYSA-N 2 2 348.495 2.056 20 0 EDADLP Cc1cc(NCCNC(=O)N(C)CC[N@@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000637411599 451839828 /nfs/dbraw/zinc/83/98/28/451839828.db2.gz QJIXRPLMCNWHJS-UHFFFAOYSA-N 2 2 348.495 2.056 20 0 EDADLP CO[C@@H](C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000639350826 451840446 /nfs/dbraw/zinc/84/04/46/451840446.db2.gz QRJVAYYDBSQAQR-KRWDZBQOSA-N 2 2 326.481 1.615 20 0 EDADLP Cc1ccoc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644511875 451832051 /nfs/dbraw/zinc/83/20/51/451832051.db2.gz NEGMSWPDWCYXEV-MRXNPFEDSA-N 2 2 334.464 1.898 20 0 EDADLP Cc1ccoc1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644511875 451832055 /nfs/dbraw/zinc/83/20/55/451832055.db2.gz NEGMSWPDWCYXEV-MRXNPFEDSA-N 2 2 334.464 1.898 20 0 EDADLP Cn1c2cc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)ccc2oc1=O ZINC000639334507 451833359 /nfs/dbraw/zinc/83/33/59/451833359.db2.gz FGBLKKGXFUXFEC-OAHLLOKOSA-N 2 2 333.432 1.674 20 0 EDADLP Cn1c2cc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)ccc2oc1=O ZINC000639334507 451833362 /nfs/dbraw/zinc/83/33/62/451833362.db2.gz FGBLKKGXFUXFEC-OAHLLOKOSA-N 2 2 333.432 1.674 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCC[NH+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000644522037 451838104 /nfs/dbraw/zinc/83/81/04/451838104.db2.gz VUVMKRXMMVQESR-INDMIFKZSA-N 3 2 341.540 1.701 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCC[NH+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000644522037 451838108 /nfs/dbraw/zinc/83/81/08/451838108.db2.gz VUVMKRXMMVQESR-INDMIFKZSA-N 3 2 341.540 1.701 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000644522037 451838113 /nfs/dbraw/zinc/83/81/13/451838113.db2.gz VUVMKRXMMVQESR-INDMIFKZSA-N 3 2 341.540 1.701 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000644522037 451838116 /nfs/dbraw/zinc/83/81/16/451838116.db2.gz VUVMKRXMMVQESR-INDMIFKZSA-N 3 2 341.540 1.701 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637418446 451846794 /nfs/dbraw/zinc/84/67/94/451846794.db2.gz YTWQEWQENXCGAN-QGZVFWFLSA-N 3 2 339.528 1.184 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637418446 451846798 /nfs/dbraw/zinc/84/67/98/451846798.db2.gz YTWQEWQENXCGAN-QGZVFWFLSA-N 3 2 339.528 1.184 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2COCC[NH+]2C)CC1 ZINC000637446338 451861440 /nfs/dbraw/zinc/86/14/40/451861440.db2.gz QGDKRQPBMZEZAL-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2COCC[NH+]2C)CC1 ZINC000637446338 451861448 /nfs/dbraw/zinc/86/14/48/451861448.db2.gz QGDKRQPBMZEZAL-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637446338 451861456 /nfs/dbraw/zinc/86/14/56/451861456.db2.gz QGDKRQPBMZEZAL-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637446338 451861460 /nfs/dbraw/zinc/86/14/60/451861460.db2.gz QGDKRQPBMZEZAL-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646833799 451872502 /nfs/dbraw/zinc/87/25/02/451872502.db2.gz ZJVKJLQRPKOSIP-WFASDCNBSA-N 2 2 343.393 1.985 20 0 EDADLP C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646833799 451872503 /nfs/dbraw/zinc/87/25/03/451872503.db2.gz ZJVKJLQRPKOSIP-WFASDCNBSA-N 2 2 343.393 1.985 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn2cc[nH+]c12 ZINC000653375318 451887332 /nfs/dbraw/zinc/88/73/32/451887332.db2.gz VWFRTLITWPKVMR-CVEARBPZSA-N 2 2 343.431 1.706 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651553169 451908670 /nfs/dbraw/zinc/90/86/70/451908670.db2.gz IWPRATOJTUTGCC-IXDOHACOSA-N 2 2 346.475 1.472 20 0 EDADLP C[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)Cc1ccc(F)cc1 ZINC000649213342 451908758 /nfs/dbraw/zinc/90/87/58/451908758.db2.gz QRLSHWYOEFKJCG-HNNXBMFYSA-N 2 2 330.407 1.833 20 0 EDADLP C[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)Cc1ccc(F)cc1 ZINC000649213342 451908764 /nfs/dbraw/zinc/90/87/64/451908764.db2.gz QRLSHWYOEFKJCG-HNNXBMFYSA-N 2 2 330.407 1.833 20 0 EDADLP C[C@H]1C[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000641378215 451911508 /nfs/dbraw/zinc/91/15/08/451911508.db2.gz OULMYDTVMSAFMV-RDJZCZTQSA-N 2 2 348.472 1.466 20 0 EDADLP C[C@H]1C[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000641378215 451911513 /nfs/dbraw/zinc/91/15/13/451911513.db2.gz OULMYDTVMSAFMV-RDJZCZTQSA-N 2 2 348.472 1.466 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000653404939 451916618 /nfs/dbraw/zinc/91/66/18/451916618.db2.gz QNPKNZIIYXZJEI-UHFFFAOYSA-N 2 2 345.447 1.045 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000653404939 451916623 /nfs/dbraw/zinc/91/66/23/451916623.db2.gz QNPKNZIIYXZJEI-UHFFFAOYSA-N 2 2 345.447 1.045 20 0 EDADLP CC1(OCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[NH2+]C1 ZINC000649278535 451949370 /nfs/dbraw/zinc/94/93/70/451949370.db2.gz KOPMQRDJTDLEAI-UHFFFAOYSA-N 2 2 337.851 1.363 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000644651004 451918495 /nfs/dbraw/zinc/91/84/95/451918495.db2.gz LFLUNKIFQINFDO-CABCVRRESA-N 2 2 329.400 1.499 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000644651004 451918500 /nfs/dbraw/zinc/91/85/00/451918500.db2.gz LFLUNKIFQINFDO-CABCVRRESA-N 2 2 329.400 1.499 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000644651006 451918610 /nfs/dbraw/zinc/91/86/10/451918610.db2.gz LFLUNKIFQINFDO-GJZGRUSLSA-N 2 2 329.400 1.499 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000644651006 451918615 /nfs/dbraw/zinc/91/86/15/451918615.db2.gz LFLUNKIFQINFDO-GJZGRUSLSA-N 2 2 329.400 1.499 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000641391448 451927996 /nfs/dbraw/zinc/92/79/96/451927996.db2.gz OGAQIMWLMVISCR-ZBFHGGJFSA-N 2 2 338.477 1.162 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000641391448 451928001 /nfs/dbraw/zinc/92/80/01/451928001.db2.gz OGAQIMWLMVISCR-ZBFHGGJFSA-N 2 2 338.477 1.162 20 0 EDADLP Cc1cc(C)c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c(C)[nH+]1 ZINC000639538482 451930951 /nfs/dbraw/zinc/93/09/51/451930951.db2.gz PKVQKXFCZWPXFU-UHFFFAOYSA-N 2 2 325.478 1.863 20 0 EDADLP C[NH+]1CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C(C)(C)C1 ZINC000641401816 451940262 /nfs/dbraw/zinc/94/02/62/451940262.db2.gz HDHNXBFPBQXEBI-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP C[NH+]1CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C(C)(C)C1 ZINC000641401816 451940267 /nfs/dbraw/zinc/94/02/67/451940267.db2.gz HDHNXBFPBQXEBI-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC000641401816 451940273 /nfs/dbraw/zinc/94/02/73/451940273.db2.gz HDHNXBFPBQXEBI-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N2CC[N@@H+](C)CC2(C)C)C1 ZINC000641401816 451940277 /nfs/dbraw/zinc/94/02/77/451940277.db2.gz HDHNXBFPBQXEBI-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000649281153 451952336 /nfs/dbraw/zinc/95/23/36/451952336.db2.gz LNTZYZCXMLMKIA-KRWDZBQOSA-N 2 2 331.460 1.790 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccccc1F ZINC000649282776 451956384 /nfs/dbraw/zinc/95/63/84/451956384.db2.gz FTEWMLNJEJQGBK-DOMZBBRYSA-N 2 2 332.379 1.001 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000649341009 452020772 /nfs/dbraw/zinc/02/07/72/452020772.db2.gz HHGAMUDHJREITQ-JLJPHGGASA-N 2 2 336.505 1.280 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000649341009 452020781 /nfs/dbraw/zinc/02/07/81/452020781.db2.gz HHGAMUDHJREITQ-JLJPHGGASA-N 2 2 336.505 1.280 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649346807 452028817 /nfs/dbraw/zinc/02/88/17/452028817.db2.gz MLSYXHNTKQUXPV-QGZVFWFLSA-N 2 2 342.443 1.368 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000653646340 452058593 /nfs/dbraw/zinc/05/85/93/452058593.db2.gz HGTDQSOLPJDWDJ-QGZVFWFLSA-N 2 2 339.443 1.726 20 0 EDADLP CN(C)c1[nH+]cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)n1C ZINC000644900744 452059727 /nfs/dbraw/zinc/05/97/27/452059727.db2.gz RFQHPBANAOHAPH-UHFFFAOYSA-N 2 2 339.447 1.908 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCC[NH3+] ZINC000649410213 452074249 /nfs/dbraw/zinc/07/42/49/452074249.db2.gz ZWAQLUBNGTWLTP-INIZCTEOSA-N 3 2 332.492 1.436 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCC[NH3+] ZINC000649410213 452074254 /nfs/dbraw/zinc/07/42/54/452074254.db2.gz ZWAQLUBNGTWLTP-INIZCTEOSA-N 3 2 332.492 1.436 20 0 EDADLP O=C(CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)N1CCCc2ccccc21 ZINC000649413638 452075463 /nfs/dbraw/zinc/07/54/63/452075463.db2.gz VQSAEZFYIYTQFB-KRWDZBQOSA-N 2 2 342.487 1.193 20 0 EDADLP c1cc(C[NH+]2CCOCC2)ccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000643251476 452095782 /nfs/dbraw/zinc/09/57/82/452095782.db2.gz SEYNWIPTVDDELD-FQEVSTJZSA-N 2 2 345.487 1.425 20 0 EDADLP c1cc(C[NH+]2CCN([C@H]3CCOC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000643251476 452095789 /nfs/dbraw/zinc/09/57/89/452095789.db2.gz SEYNWIPTVDDELD-FQEVSTJZSA-N 2 2 345.487 1.425 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639765987 452107331 /nfs/dbraw/zinc/10/73/31/452107331.db2.gz MJESMIWHXNNRPL-FUHIMQAGSA-N 2 2 347.503 1.683 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639765987 452107338 /nfs/dbraw/zinc/10/73/38/452107338.db2.gz MJESMIWHXNNRPL-FUHIMQAGSA-N 2 2 347.503 1.683 20 0 EDADLP CC(C)O[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000651897484 452153737 /nfs/dbraw/zinc/15/37/37/452153737.db2.gz BIYPSESHIIATPQ-QGZVFWFLSA-N 2 2 333.480 1.618 20 0 EDADLP CC(C)O[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000651897484 452153743 /nfs/dbraw/zinc/15/37/43/452153743.db2.gz BIYPSESHIIATPQ-QGZVFWFLSA-N 2 2 333.480 1.618 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(C)[nH+]1 ZINC000643384205 452166226 /nfs/dbraw/zinc/16/62/26/452166226.db2.gz ZQJCRKMYYKFIGP-IRXDYDNUSA-N 2 2 332.448 1.439 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651919400 452167273 /nfs/dbraw/zinc/16/72/73/452167273.db2.gz QUFSXQFZUAMGQB-HNNXBMFYSA-N 2 2 346.475 1.474 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651919400 452167278 /nfs/dbraw/zinc/16/72/78/452167278.db2.gz QUFSXQFZUAMGQB-HNNXBMFYSA-N 2 2 346.475 1.474 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+]C3CCC4(CC3)NC(=O)NC4=O)cn21 ZINC000647363686 452189794 /nfs/dbraw/zinc/18/97/94/452189794.db2.gz HFVNFBSQXJMYKN-UHFFFAOYSA-N 2 2 341.415 1.296 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nc(N)[nH+]c2c1CCCC2 ZINC000645198061 452206395 /nfs/dbraw/zinc/20/63/95/452206395.db2.gz HZXSRLZDOINEOL-UHFFFAOYSA-N 2 2 333.480 1.732 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc(C)[nH+]1 ZINC000643436160 452217855 /nfs/dbraw/zinc/21/78/55/452217855.db2.gz MTCQQIRYYGDVHM-MRXNPFEDSA-N 2 2 332.448 1.304 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3CCC(F)CC3)C2)CC1 ZINC000645233356 452226192 /nfs/dbraw/zinc/22/61/92/452226192.db2.gz CSJAFYVYGBLVFS-UYSNPLJNSA-N 2 2 340.487 1.982 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3CCC(F)CC3)C2)CC1 ZINC000645233356 452226195 /nfs/dbraw/zinc/22/61/95/452226195.db2.gz CSJAFYVYGBLVFS-UYSNPLJNSA-N 2 2 340.487 1.982 20 0 EDADLP CCn1nc(C)c(C[N@H+](C)CC(=O)NC2CC[NH+](CC)CC2)c1C ZINC000639921430 452239099 /nfs/dbraw/zinc/23/90/99/452239099.db2.gz NZISHCFEWNHSDT-UHFFFAOYSA-N 2 2 335.496 1.552 20 0 EDADLP CCn1nc(C)c(C[N@@H+](C)CC(=O)NC2CC[NH+](CC)CC2)c1C ZINC000639921430 452239101 /nfs/dbraw/zinc/23/91/01/452239101.db2.gz NZISHCFEWNHSDT-UHFFFAOYSA-N 2 2 335.496 1.552 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCC3([NH+](C)C)CCCC3)nc[nH+]2)C1 ZINC000665691593 452247788 /nfs/dbraw/zinc/24/77/88/452247788.db2.gz XBRNVOCVMAJJFO-CABCVRRESA-N 2 2 333.480 1.970 20 0 EDADLP CC[C@@H]1C[N@H+](CCn2cccn2)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665699562 452258591 /nfs/dbraw/zinc/25/85/91/452258591.db2.gz QWQCSXGTAJJJCO-CQSZACIVSA-N 2 2 343.435 1.078 20 0 EDADLP CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665699562 452258600 /nfs/dbraw/zinc/25/86/00/452258600.db2.gz QWQCSXGTAJJJCO-CQSZACIVSA-N 2 2 343.435 1.078 20 0 EDADLP CCOC1CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641787335 452260359 /nfs/dbraw/zinc/26/03/59/452260359.db2.gz UNYCLTRDWQYMPH-XBMUEBEBSA-N 2 2 339.524 1.720 20 0 EDADLP c1cnc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788313 452262378 /nfs/dbraw/zinc/26/23/78/452262378.db2.gz YARSOBBPLXBAFG-RBUKOAKNSA-N 2 2 344.503 1.845 20 0 EDADLP COc1ccsc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787584 452264337 /nfs/dbraw/zinc/26/43/37/452264337.db2.gz CWLLGCSNVBCKTN-HNNXBMFYSA-N 2 2 339.505 1.643 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1F ZINC000659429143 452271081 /nfs/dbraw/zinc/27/10/81/452271081.db2.gz IVXLXETYBJXMMU-HBSPSFQMSA-N 2 2 343.406 1.700 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000641800767 452275159 /nfs/dbraw/zinc/27/51/59/452275159.db2.gz FKPUCXZKXMUIGZ-IJLUTSLNSA-N 2 2 326.238 1.691 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000659431503 452276501 /nfs/dbraw/zinc/27/65/01/452276501.db2.gz LVSMJAROHRGHEQ-GOSISDBHSA-N 2 2 348.491 1.691 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)cs2)c1C ZINC000641803857 452280178 /nfs/dbraw/zinc/28/01/78/452280178.db2.gz VMGXWAUDHABKDB-OLZOCXBDSA-N 2 2 347.488 1.736 20 0 EDADLP COC1([C@@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000665717507 452282514 /nfs/dbraw/zinc/28/25/14/452282514.db2.gz AEQIASXKQUUSBE-CABCVRRESA-N 2 2 338.496 1.412 20 0 EDADLP COC1([C@@H](C)NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000665717507 452282522 /nfs/dbraw/zinc/28/25/22/452282522.db2.gz AEQIASXKQUUSBE-CABCVRRESA-N 2 2 338.496 1.412 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000641807879 452288148 /nfs/dbraw/zinc/28/81/48/452288148.db2.gz SMSNWIYWDBZBLN-CHWSQXEVSA-N 2 2 327.450 1.280 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661513098 452321396 /nfs/dbraw/zinc/32/13/96/452321396.db2.gz MDOINYOWRJNEBQ-OAGGEKHMSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661513098 452321408 /nfs/dbraw/zinc/32/14/08/452321408.db2.gz MDOINYOWRJNEBQ-OAGGEKHMSA-N 2 2 338.496 1.364 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CCC2C[NH2+]C2)cc1 ZINC000638052971 452331701 /nfs/dbraw/zinc/33/17/01/452331701.db2.gz COMDZJACIFGNCI-GOSISDBHSA-N 2 2 331.460 1.484 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638054507 452338688 /nfs/dbraw/zinc/33/86/88/452338688.db2.gz DUHITXDLDRIBOI-JKIFEVAISA-N 2 2 349.475 1.699 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638054507 452338699 /nfs/dbraw/zinc/33/86/99/452338699.db2.gz DUHITXDLDRIBOI-JKIFEVAISA-N 2 2 349.475 1.699 20 0 EDADLP COc1cccc(OC)c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000638057038 452344650 /nfs/dbraw/zinc/34/46/50/452344650.db2.gz PQLAFAWPPZFOCP-MRXNPFEDSA-N 2 2 333.476 1.916 20 0 EDADLP COc1cccc(OC)c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000638057038 452344663 /nfs/dbraw/zinc/34/46/63/452344663.db2.gz PQLAFAWPPZFOCP-MRXNPFEDSA-N 2 2 333.476 1.916 20 0 EDADLP COc1nccnc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657594854 452363339 /nfs/dbraw/zinc/36/33/39/452363339.db2.gz DOTVCWIEAGGFBN-MRXNPFEDSA-N 2 2 328.416 1.342 20 0 EDADLP COc1nccnc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657594854 452363347 /nfs/dbraw/zinc/36/33/47/452363347.db2.gz DOTVCWIEAGGFBN-MRXNPFEDSA-N 2 2 328.416 1.342 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(OCCO)CCOC2)n1-c1ccccc1 ZINC000657597042 452366604 /nfs/dbraw/zinc/36/66/04/452366604.db2.gz JNCUYLZRSMJXMD-SFHVURJKSA-N 2 2 331.416 1.438 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000638074733 452385459 /nfs/dbraw/zinc/38/54/59/452385459.db2.gz AKEGTGHQDJOMLC-ZBFHGGJFSA-N 2 2 328.416 1.694 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000665808688 452386505 /nfs/dbraw/zinc/38/65/05/452386505.db2.gz FMVSMLKQDWXXTR-YCPHGPKFSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000665808688 452386513 /nfs/dbraw/zinc/38/65/13/452386513.db2.gz FMVSMLKQDWXXTR-YCPHGPKFSA-N 2 2 340.537 1.690 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000638077928 452392665 /nfs/dbraw/zinc/39/26/65/452392665.db2.gz YMLBTDBQCONRKL-IAGOWNOFSA-N 2 2 341.459 1.575 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000638077928 452392671 /nfs/dbraw/zinc/39/26/71/452392671.db2.gz YMLBTDBQCONRKL-IAGOWNOFSA-N 2 2 341.459 1.575 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1 ZINC000638077991 452393044 /nfs/dbraw/zinc/39/30/44/452393044.db2.gz XCVKLRBWEUAQDW-KRWDZBQOSA-N 2 2 338.411 1.838 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2[nH+]1 ZINC000657650386 452420313 /nfs/dbraw/zinc/42/03/13/452420313.db2.gz MVFGIJIZVWNJRZ-AWEZNQCLSA-N 2 2 329.404 1.038 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC000657650470 452420758 /nfs/dbraw/zinc/42/07/58/452420758.db2.gz CJHBNPOHYJVUFU-ZDUSSCGKSA-N 2 2 329.404 1.039 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659581443 452437312 /nfs/dbraw/zinc/43/73/12/452437312.db2.gz MHKDKWSQUIRQNS-CZUORRHYSA-N 2 2 349.385 1.975 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659581443 452437318 /nfs/dbraw/zinc/43/73/18/452437318.db2.gz MHKDKWSQUIRQNS-CZUORRHYSA-N 2 2 349.385 1.975 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)[C@H](O)[C@@H](C)C3)c2cc1C ZINC000661633678 452452312 /nfs/dbraw/zinc/45/23/12/452452312.db2.gz YYFQCTDUOVHLMO-OLMMMNRUSA-N 2 2 331.460 1.963 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)[C@H](O)[C@@H](C)C3)c2cc1C ZINC000661633678 452452320 /nfs/dbraw/zinc/45/23/20/452452320.db2.gz YYFQCTDUOVHLMO-OLMMMNRUSA-N 2 2 331.460 1.963 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3C[C@H](C)C(O)[C@@H](C)C3)c2cc1C ZINC000661633677 452453580 /nfs/dbraw/zinc/45/35/80/452453580.db2.gz YYFQCTDUOVHLMO-HRCADAONSA-N 2 2 331.460 1.963 20 0 EDADLP O=C(NCCC1CC[NH2+]CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000652318818 452491667 /nfs/dbraw/zinc/49/16/67/452491667.db2.gz BTVBXZRYRAVNEA-UHFFFAOYSA-N 2 2 331.464 1.299 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652341238 452511995 /nfs/dbraw/zinc/51/19/95/452511995.db2.gz WBUVVDWLSBHXIN-OAHLLOKOSA-N 2 2 325.478 1.590 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)[C@@H]2C1 ZINC000663785296 452515746 /nfs/dbraw/zinc/51/57/46/452515746.db2.gz XZIUUBZJZWPOAG-HUUCEWRRSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)[C@@H]2C1 ZINC000663785296 452515754 /nfs/dbraw/zinc/51/57/54/452515754.db2.gz XZIUUBZJZWPOAG-HUUCEWRRSA-N 2 2 331.464 1.358 20 0 EDADLP CCOc1ccc(NC(=O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655700460 452522019 /nfs/dbraw/zinc/52/20/19/452522019.db2.gz IONRMMDFMAAYIS-QGZVFWFLSA-N 2 2 347.459 1.867 20 0 EDADLP O=C(NCC1C[NH2+]C1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000640239702 452539555 /nfs/dbraw/zinc/53/95/55/452539555.db2.gz FSMDMKBRLMRJMN-SJORKVTESA-N 2 2 325.416 1.630 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)cc2[nH+]1 ZINC000657835739 452558563 /nfs/dbraw/zinc/55/85/63/452558563.db2.gz QVTVQEKKCQGOPW-CYBMUJFWSA-N 2 2 343.431 1.428 20 0 EDADLP COc1ccc(-c2nc(C[N@H+](C)CCN3CC[NH2+]CC3)co2)cc1 ZINC000647835100 452571247 /nfs/dbraw/zinc/57/12/47/452571247.db2.gz MZNWKRQNZPRVJF-UHFFFAOYSA-N 2 2 330.432 1.687 20 0 EDADLP COc1ccc(-c2nc(C[N@@H+](C)CCN3CC[NH2+]CC3)co2)cc1 ZINC000647835100 452571257 /nfs/dbraw/zinc/57/12/57/452571257.db2.gz MZNWKRQNZPRVJF-UHFFFAOYSA-N 2 2 330.432 1.687 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)CO1 ZINC000663850784 452578028 /nfs/dbraw/zinc/57/80/28/452578028.db2.gz KGZNEAAAZDQDOF-JKSUJKDBSA-N 2 2 346.475 1.411 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)CO1 ZINC000663850784 452578033 /nfs/dbraw/zinc/57/80/33/452578033.db2.gz KGZNEAAAZDQDOF-JKSUJKDBSA-N 2 2 346.475 1.411 20 0 EDADLP C[N@H+](CCC[NH3+])[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647847557 452579975 /nfs/dbraw/zinc/57/99/75/452579975.db2.gz UJHSNKHAHREYEM-ZDUSSCGKSA-N 2 2 326.238 1.835 20 0 EDADLP C[N@@H+](CCC[NH3+])[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000647847557 452579978 /nfs/dbraw/zinc/57/99/78/452579978.db2.gz UJHSNKHAHREYEM-ZDUSSCGKSA-N 2 2 326.238 1.835 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2cnccc2o1 ZINC000657884512 452590068 /nfs/dbraw/zinc/59/00/68/452590068.db2.gz UQZUZYBLITZIQQ-NVXWUHKLSA-N 2 2 344.459 1.885 20 0 EDADLP O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000661831330 452614781 /nfs/dbraw/zinc/61/47/81/452614781.db2.gz STNGVZQJOQUMQS-HOTGVXAUSA-N 2 2 349.500 1.285 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000663890848 452615435 /nfs/dbraw/zinc/61/54/35/452615435.db2.gz JXJYPRKSTRARON-HZPDHXFCSA-N 2 2 347.463 1.134 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc2c(c1)CCO2 ZINC000663909914 452637253 /nfs/dbraw/zinc/63/72/53/452637253.db2.gz QNXPMEJMRCYUTC-UHFFFAOYSA-N 2 2 334.464 1.304 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc2c(c1)CCO2 ZINC000663909914 452637260 /nfs/dbraw/zinc/63/72/60/452637260.db2.gz QNXPMEJMRCYUTC-UHFFFAOYSA-N 2 2 334.464 1.304 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000647925317 452660949 /nfs/dbraw/zinc/66/09/49/452660949.db2.gz DAIQOFAAHAYWGY-UHFFFAOYSA-N 2 2 325.840 1.648 20 0 EDADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000647933798 452673395 /nfs/dbraw/zinc/67/33/95/452673395.db2.gz WEPWOGVLVDLKPY-IAGOWNOFSA-N 2 2 342.443 2.285 20 0 EDADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccon1 ZINC000647933798 452673403 /nfs/dbraw/zinc/67/34/03/452673403.db2.gz WEPWOGVLVDLKPY-IAGOWNOFSA-N 2 2 342.443 2.285 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)CC[C@H]1[NH3+] ZINC000647940019 452681490 /nfs/dbraw/zinc/68/14/90/452681490.db2.gz KDJBEZDYMYMAGN-GOEBONIOSA-N 2 2 349.475 1.721 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)CC[C@H]1[NH3+] ZINC000647940019 452681498 /nfs/dbraw/zinc/68/14/98/452681498.db2.gz KDJBEZDYMYMAGN-GOEBONIOSA-N 2 2 349.475 1.721 20 0 EDADLP Cc1nc(N2CCC(CO)([NH2+]CC3CC3)CC2)c2c([nH+]1)CCCC2 ZINC000663990134 452693516 /nfs/dbraw/zinc/69/35/16/452693516.db2.gz DSXDYLZLWRZKHC-UHFFFAOYSA-N 2 2 330.476 1.995 20 0 EDADLP Cc1ccc([C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C(F)(F)F)o1 ZINC000655933142 452703323 /nfs/dbraw/zinc/70/33/23/452703323.db2.gz HKLYIEQAEUWAKX-PWSUYJOCSA-N 2 2 334.342 1.476 20 0 EDADLP Cc1ccc([C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C(F)(F)F)o1 ZINC000655933142 452703328 /nfs/dbraw/zinc/70/33/28/452703328.db2.gz HKLYIEQAEUWAKX-PWSUYJOCSA-N 2 2 334.342 1.476 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659814356 452704357 /nfs/dbraw/zinc/70/43/57/452704357.db2.gz NBXXINILXOMTJJ-ZACQAIPSSA-N 2 2 336.524 1.249 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000661953344 452715507 /nfs/dbraw/zinc/71/55/07/452715507.db2.gz AUPBLHSFCFUTRS-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000661953344 452715516 /nfs/dbraw/zinc/71/55/16/452715516.db2.gz AUPBLHSFCFUTRS-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000661953343 452716510 /nfs/dbraw/zinc/71/65/10/452716510.db2.gz AUPBLHSFCFUTRS-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000661953343 452716519 /nfs/dbraw/zinc/71/65/19/452716519.db2.gz AUPBLHSFCFUTRS-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP CC[C@H](COCC1CC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658091048 452721207 /nfs/dbraw/zinc/72/12/07/452721207.db2.gz OREXQSXOKAEPKA-GOSISDBHSA-N 2 2 339.524 1.578 20 0 EDADLP CC[C@H](COCC1CC1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658091048 452721211 /nfs/dbraw/zinc/72/12/11/452721211.db2.gz OREXQSXOKAEPKA-GOSISDBHSA-N 2 2 339.524 1.578 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)CO1 ZINC000664033070 452732380 /nfs/dbraw/zinc/73/23/80/452732380.db2.gz REEMERPMTVCACR-VVLHAWIVSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)CO1 ZINC000664033070 452732384 /nfs/dbraw/zinc/73/23/84/452732384.db2.gz REEMERPMTVCACR-VVLHAWIVSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)CO1 ZINC000664033070 452732390 /nfs/dbraw/zinc/73/23/90/452732390.db2.gz REEMERPMTVCACR-VVLHAWIVSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)CO1 ZINC000664033070 452732395 /nfs/dbraw/zinc/73/23/95/452732395.db2.gz REEMERPMTVCACR-VVLHAWIVSA-N 2 2 340.512 1.658 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCOc2ccccc21 ZINC000664043063 452739465 /nfs/dbraw/zinc/73/94/65/452739465.db2.gz NQSXJYVQZGXEBS-INIZCTEOSA-N 2 2 348.491 1.735 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCOc2ccccc21 ZINC000664043063 452739475 /nfs/dbraw/zinc/73/94/75/452739475.db2.gz NQSXJYVQZGXEBS-INIZCTEOSA-N 2 2 348.491 1.735 20 0 EDADLP Cc1cc(NC(=O)N(C)Cc2c[nH+]c[nH]2)n(C2CC[NH+](C)CC2)n1 ZINC000666282809 452741503 /nfs/dbraw/zinc/74/15/03/452741503.db2.gz LWVRPLROYDKNMX-UHFFFAOYSA-N 2 2 331.424 1.845 20 0 EDADLP Cc1cc(NC(=O)N(C)Cc2c[nH]c[nH+]2)n(C2CC[NH+](C)CC2)n1 ZINC000666282809 452741515 /nfs/dbraw/zinc/74/15/15/452741515.db2.gz LWVRPLROYDKNMX-UHFFFAOYSA-N 2 2 331.424 1.845 20 0 EDADLP COc1cc2c(cc1C[N@@H+]1CCOC3(CC[NH+](C)CC3)C1)OCO2 ZINC000648072168 452799993 /nfs/dbraw/zinc/79/99/93/452799993.db2.gz PTDWKESFUGCQNU-UHFFFAOYSA-N 2 2 334.416 1.721 20 0 EDADLP COc1cc2c(cc1C[N@H+]1CCOC3(CC[NH+](C)CC3)C1)OCO2 ZINC000648072168 452799999 /nfs/dbraw/zinc/79/99/99/452799999.db2.gz PTDWKESFUGCQNU-UHFFFAOYSA-N 2 2 334.416 1.721 20 0 EDADLP CC[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000648166216 452874713 /nfs/dbraw/zinc/87/47/13/452874713.db2.gz ZNSAGWBCRXRBMS-QAPCUYQASA-N 2 2 343.471 1.052 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000645968928 452953852 /nfs/dbraw/zinc/95/38/52/452953852.db2.gz JBDWIBLOAWXFFT-JQHSSLGASA-N 2 2 331.460 1.044 20 0 EDADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662281078 453004394 /nfs/dbraw/zinc/00/43/94/453004394.db2.gz SIUSZDCTKNVTMN-VDGAXYAQSA-N 2 2 346.519 1.911 20 0 EDADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662281078 453004405 /nfs/dbraw/zinc/00/44/05/453004405.db2.gz SIUSZDCTKNVTMN-VDGAXYAQSA-N 2 2 346.519 1.911 20 0 EDADLP Brc1cccc2c1OCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000662281987 453007201 /nfs/dbraw/zinc/00/72/01/453007201.db2.gz NEVDGSIIQOIHDE-GXFFZTMASA-N 2 2 327.222 1.851 20 0 EDADLP C[C@@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000662286102 453008947 /nfs/dbraw/zinc/00/89/47/453008947.db2.gz VRSYVFJEPSEATA-GFCCVEGCSA-N 2 2 325.840 1.221 20 0 EDADLP COc1c(N)[nH+]cnc1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000664361640 453031319 /nfs/dbraw/zinc/03/13/19/453031319.db2.gz HOXKVCPVPLLBBO-HNNXBMFYSA-N 2 2 327.432 1.821 20 0 EDADLP COc1c(N)[nH+]cnc1N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000664361640 453031327 /nfs/dbraw/zinc/03/13/27/453031327.db2.gz HOXKVCPVPLLBBO-HNNXBMFYSA-N 2 2 327.432 1.821 20 0 EDADLP COc1cc(C)ccc1C[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000648370713 453039361 /nfs/dbraw/zinc/03/93/61/453039361.db2.gz SKEZSTOFAYZWCE-PKOBYXMFSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C)ccc1C[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000648370713 453039368 /nfs/dbraw/zinc/03/93/68/453039368.db2.gz SKEZSTOFAYZWCE-PKOBYXMFSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C)ccc1C[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000648370713 453039377 /nfs/dbraw/zinc/03/93/77/453039377.db2.gz SKEZSTOFAYZWCE-PKOBYXMFSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C)ccc1C[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000648370713 453039382 /nfs/dbraw/zinc/03/93/82/453039382.db2.gz SKEZSTOFAYZWCE-PKOBYXMFSA-N 2 2 347.503 1.840 20 0 EDADLP CCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OCC ZINC000666659433 453045476 /nfs/dbraw/zinc/04/54/76/453045476.db2.gz RTCUUSHGOIPEEY-AWEZNQCLSA-N 2 2 336.436 1.591 20 0 EDADLP CCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OCC ZINC000666659433 453045485 /nfs/dbraw/zinc/04/54/85/453045485.db2.gz RTCUUSHGOIPEEY-AWEZNQCLSA-N 2 2 336.436 1.591 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664395702 453060302 /nfs/dbraw/zinc/06/03/02/453060302.db2.gz IYNZHNSMLCQVLO-GVDBMIGSSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664395702 453060308 /nfs/dbraw/zinc/06/03/08/453060308.db2.gz IYNZHNSMLCQVLO-GVDBMIGSSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664395702 453060314 /nfs/dbraw/zinc/06/03/14/453060314.db2.gz IYNZHNSMLCQVLO-GVDBMIGSSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664395702 453060320 /nfs/dbraw/zinc/06/03/20/453060320.db2.gz IYNZHNSMLCQVLO-GVDBMIGSSA-N 2 2 340.512 1.373 20 0 EDADLP CC[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000652908832 453092018 /nfs/dbraw/zinc/09/20/18/453092018.db2.gz LLTALWGIQZKZHQ-HZPDHXFCSA-N 2 2 337.468 1.273 20 0 EDADLP CC[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000652908832 453092026 /nfs/dbraw/zinc/09/20/26/453092026.db2.gz LLTALWGIQZKZHQ-HZPDHXFCSA-N 2 2 337.468 1.273 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103633 453105530 /nfs/dbraw/zinc/10/55/30/453105530.db2.gz ZGGHBBGWBKFKBF-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103633 453105534 /nfs/dbraw/zinc/10/55/34/453105534.db2.gz ZGGHBBGWBKFKBF-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NCCC1CCCCC1)CCO2 ZINC000646104442 453105965 /nfs/dbraw/zinc/10/59/65/453105965.db2.gz DCDAUJMLEUSZFV-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NCCC1CCCCC1)CCO2 ZINC000646104442 453105979 /nfs/dbraw/zinc/10/59/79/453105979.db2.gz DCDAUJMLEUSZFV-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000664472869 453124714 /nfs/dbraw/zinc/12/47/14/453124714.db2.gz RYNWPDWLENFVPF-GUDVDZBRSA-N 2 2 344.503 1.755 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000664472869 453124721 /nfs/dbraw/zinc/12/47/21/453124721.db2.gz RYNWPDWLENFVPF-GUDVDZBRSA-N 2 2 344.503 1.755 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000662438639 453145556 /nfs/dbraw/zinc/14/55/56/453145556.db2.gz ZIKXSFYSYWZZEJ-HNNXBMFYSA-N 2 2 349.866 1.630 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1(C)C ZINC000646138157 453148541 /nfs/dbraw/zinc/14/85/41/453148541.db2.gz DFHXDOALNJVILB-KXBFYZLASA-N 2 2 344.459 1.834 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000662444139 453150447 /nfs/dbraw/zinc/15/04/47/453150447.db2.gz DXSWHLNWCWONMN-HNNXBMFYSA-N 2 2 337.468 1.165 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000650984058 453161914 /nfs/dbraw/zinc/16/19/14/453161914.db2.gz GSCRJLFBQGPAOL-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000650984058 453161917 /nfs/dbraw/zinc/16/19/17/453161917.db2.gz GSCRJLFBQGPAOL-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000650984058 453161920 /nfs/dbraw/zinc/16/19/20/453161920.db2.gz GSCRJLFBQGPAOL-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000650984058 453161925 /nfs/dbraw/zinc/16/19/25/453161925.db2.gz GSCRJLFBQGPAOL-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000664536366 453175595 /nfs/dbraw/zinc/17/55/95/453175595.db2.gz OAFBZCROYWRJFA-WMZOPIPTSA-N 2 2 344.459 1.289 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000664536366 453175599 /nfs/dbraw/zinc/17/55/99/453175599.db2.gz OAFBZCROYWRJFA-WMZOPIPTSA-N 2 2 344.459 1.289 20 0 EDADLP C[C@H](O)[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000664540155 453180204 /nfs/dbraw/zinc/18/02/04/453180204.db2.gz VAWKNNTYYHFTPW-MAUKXSAKSA-N 2 2 348.491 1.434 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000648723468 453210436 /nfs/dbraw/zinc/21/04/36/453210436.db2.gz WQKSHNJFMMAIDW-HOTGVXAUSA-N 2 2 336.480 1.870 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H](C)O1 ZINC000651042993 453217695 /nfs/dbraw/zinc/21/76/95/453217695.db2.gz UGWQQMQSCWVHGJ-GASCZTMLSA-N 2 2 348.491 1.766 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H](C)O1 ZINC000651042993 453217702 /nfs/dbraw/zinc/21/77/02/453217702.db2.gz UGWQQMQSCWVHGJ-GASCZTMLSA-N 2 2 348.491 1.766 20 0 EDADLP O=C(C[NH2+]Cc1cn2cccc(F)c2n1)NCC[NH+]1CCCCCC1 ZINC000646215632 453225971 /nfs/dbraw/zinc/22/59/71/453225971.db2.gz MBLGTXZECVCFFA-UHFFFAOYSA-N 2 2 347.438 1.555 20 0 EDADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000656498701 453228355 /nfs/dbraw/zinc/22/83/55/453228355.db2.gz AFVDIGHCIKIDMP-UHFFFAOYSA-N 2 2 332.452 1.682 20 0 EDADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000656498701 453228365 /nfs/dbraw/zinc/22/83/65/453228365.db2.gz AFVDIGHCIKIDMP-UHFFFAOYSA-N 2 2 332.452 1.682 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000662510489 453228487 /nfs/dbraw/zinc/22/84/87/453228487.db2.gz TZOBNNOSNMPYPL-ARFHVFGLSA-N 2 2 341.402 1.579 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000662510489 453228495 /nfs/dbraw/zinc/22/84/95/453228495.db2.gz TZOBNNOSNMPYPL-ARFHVFGLSA-N 2 2 341.402 1.579 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@]4(CC[NH2+]C4)C3)cn21 ZINC000646234248 453245014 /nfs/dbraw/zinc/24/50/14/453245014.db2.gz FILPUTZHNGBJGH-SFHVURJKSA-N 2 2 327.432 1.580 20 0 EDADLP COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OCC(F)(F)F ZINC000653067783 453246086 /nfs/dbraw/zinc/24/60/86/453246086.db2.gz LTEXSOMAUODZMY-NSHDSACASA-N 2 2 349.353 1.854 20 0 EDADLP Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)c(C)c1 ZINC000653071078 453249299 /nfs/dbraw/zinc/24/92/99/453249299.db2.gz VEUOLIDOXAKKDG-OAHLLOKOSA-N 2 2 334.464 1.288 20 0 EDADLP Cc1ccccc1C1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCOCC1 ZINC000653077774 453257420 /nfs/dbraw/zinc/25/74/20/453257420.db2.gz KXCPLCVPIIUVQG-KRWDZBQOSA-N 2 2 333.476 1.438 20 0 EDADLP C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1[nH+]ccn1C ZINC000660387422 453264928 /nfs/dbraw/zinc/26/49/28/453264928.db2.gz XKASZUJZINDCNA-CQSZACIVSA-N 2 2 345.447 1.921 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000648782676 453265695 /nfs/dbraw/zinc/26/56/95/453265695.db2.gz XVJARAAUWSEQBH-IAGOWNOFSA-N 2 2 349.523 1.786 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000648782676 453265702 /nfs/dbraw/zinc/26/57/02/453265702.db2.gz XVJARAAUWSEQBH-IAGOWNOFSA-N 2 2 349.523 1.786 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000648782675 453265813 /nfs/dbraw/zinc/26/58/13/453265813.db2.gz XVJARAAUWSEQBH-DLBZAZTESA-N 2 2 349.523 1.786 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000648782675 453265816 /nfs/dbraw/zinc/26/58/16/453265816.db2.gz XVJARAAUWSEQBH-DLBZAZTESA-N 2 2 349.523 1.786 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H](N)CC[NH+](C)C)n2)C1 ZINC000653105927 453287836 /nfs/dbraw/zinc/28/78/36/453287836.db2.gz NMNTYDSXROAOJI-JSGCOSHPSA-N 2 2 339.509 1.593 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H](N)CC[NH+](C)C)n2)C1 ZINC000653105927 453287841 /nfs/dbraw/zinc/28/78/41/453287841.db2.gz NMNTYDSXROAOJI-JSGCOSHPSA-N 2 2 339.509 1.593 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]CC3)c[nH+]2)CCO1 ZINC000653108671 453293593 /nfs/dbraw/zinc/29/35/93/453293593.db2.gz DIVGSGSCHDPYEB-GDBMZVCRSA-N 2 2 332.448 1.313 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000653109112 453293759 /nfs/dbraw/zinc/29/37/59/453293759.db2.gz URXCXZPDEXMSHQ-GOSISDBHSA-N 2 2 342.443 1.556 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000653113216 453299833 /nfs/dbraw/zinc/29/98/33/453299833.db2.gz WREDRICRFVVABC-SFHVURJKSA-N 3 2 332.492 1.294 20 0 EDADLP COc1cccc(NCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000653122531 453313521 /nfs/dbraw/zinc/31/35/21/453313521.db2.gz YKGAWUPNCIDCOU-UHFFFAOYSA-N 2 2 334.464 1.249 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000653124995 453319714 /nfs/dbraw/zinc/31/97/14/453319714.db2.gz PEQJHKNGKIPOQK-QGZVFWFLSA-N 2 2 330.476 1.762 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660467478 453329643 /nfs/dbraw/zinc/32/96/43/453329643.db2.gz GOMFEMZYVPWQOV-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660467478 453329647 /nfs/dbraw/zinc/32/96/47/453329647.db2.gz GOMFEMZYVPWQOV-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471634 453332560 /nfs/dbraw/zinc/33/25/60/453332560.db2.gz BZKGJPGLDWTSOJ-NVXWUHKLSA-N 2 2 325.497 1.866 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471634 453332570 /nfs/dbraw/zinc/33/25/70/453332570.db2.gz BZKGJPGLDWTSOJ-NVXWUHKLSA-N 2 2 325.497 1.866 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)Nc1cccnc1 ZINC000660480222 453337138 /nfs/dbraw/zinc/33/71/38/453337138.db2.gz SVEOJDFCUDVDNV-KRWDZBQOSA-N 2 2 332.448 1.597 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)Nc1cccnc1 ZINC000660480222 453337145 /nfs/dbraw/zinc/33/71/45/453337145.db2.gz SVEOJDFCUDVDNV-KRWDZBQOSA-N 2 2 332.448 1.597 20 0 EDADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000660483457 453339277 /nfs/dbraw/zinc/33/92/77/453339277.db2.gz GLRGKBULINVGQI-BRSBDYLESA-N 2 2 335.492 1.478 20 0 EDADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000660483457 453339283 /nfs/dbraw/zinc/33/92/83/453339283.db2.gz GLRGKBULINVGQI-BRSBDYLESA-N 2 2 335.492 1.478 20 0 EDADLP O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000660483459 453339745 /nfs/dbraw/zinc/33/97/45/453339745.db2.gz GLRGKBULINVGQI-XDNAFOTISA-N 2 2 335.492 1.478 20 0 EDADLP O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000660483459 453339751 /nfs/dbraw/zinc/33/97/51/453339751.db2.gz GLRGKBULINVGQI-XDNAFOTISA-N 2 2 335.492 1.478 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000646357096 453345784 /nfs/dbraw/zinc/34/57/84/453345784.db2.gz NRCCLNNTAQGEGI-GOSISDBHSA-N 2 2 331.460 1.470 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000646357096 453345787 /nfs/dbraw/zinc/34/57/87/453345787.db2.gz NRCCLNNTAQGEGI-GOSISDBHSA-N 2 2 331.460 1.470 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC1([NH3+])CCCC1 ZINC000662649495 453364802 /nfs/dbraw/zinc/36/48/02/453364802.db2.gz QMIPKGGMUCVBKN-KRWDZBQOSA-N 3 2 341.459 1.189 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccc(Cl)c1 ZINC000655297505 453418083 /nfs/dbraw/zinc/41/80/83/453418083.db2.gz JQHMHTWCFPZPLQ-ARFHVFGLSA-N 2 2 337.851 1.220 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cccc(Cl)c1 ZINC000655297505 453418086 /nfs/dbraw/zinc/41/80/86/453418086.db2.gz JQHMHTWCFPZPLQ-ARFHVFGLSA-N 2 2 337.851 1.220 20 0 EDADLP C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@H]1CC[NH3+] ZINC000653240980 453422944 /nfs/dbraw/zinc/42/29/44/453422944.db2.gz WFDXCILMXXAZSE-IRXDYDNUSA-N 2 2 345.491 1.180 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704192 453425470 /nfs/dbraw/zinc/42/54/70/453425470.db2.gz VOAKBIUXYBHRBN-INIZCTEOSA-N 2 2 325.497 1.581 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]c1 ZINC000660688960 453514838 /nfs/dbraw/zinc/51/48/38/453514838.db2.gz ISQZPAHLQGPITA-MRXNPFEDSA-N 2 2 347.463 1.308 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000651396113 453531441 /nfs/dbraw/zinc/53/14/41/453531441.db2.gz LBCRETZUJZXFAR-INIZCTEOSA-N 2 2 332.448 1.085 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446542 453534079 /nfs/dbraw/zinc/53/40/79/453534079.db2.gz FRVWZOPLBYTXQG-FXAWDEMLSA-N 2 2 343.471 1.729 20 0 EDADLP CN(CC1=CCSC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660713609 453541141 /nfs/dbraw/zinc/54/11/41/453541141.db2.gz UVODSSPBADMLFB-HNNXBMFYSA-N 2 2 338.521 1.470 20 0 EDADLP CN(CC1=CCSC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660713609 453541147 /nfs/dbraw/zinc/54/11/47/453541147.db2.gz UVODSSPBADMLFB-HNNXBMFYSA-N 2 2 338.521 1.470 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000665047019 453552669 /nfs/dbraw/zinc/55/26/69/453552669.db2.gz YYFRJXGQXYCQPS-HIFRSBDPSA-N 2 2 335.452 1.205 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000665047019 453552675 /nfs/dbraw/zinc/55/26/75/453552675.db2.gz YYFRJXGQXYCQPS-HIFRSBDPSA-N 2 2 335.452 1.205 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000667325902 453556570 /nfs/dbraw/zinc/55/65/70/453556570.db2.gz HSKAPGGJURWUKF-QZTJIDSGSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000667325902 453556575 /nfs/dbraw/zinc/55/65/75/453556575.db2.gz HSKAPGGJURWUKF-QZTJIDSGSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667325902 453556582 /nfs/dbraw/zinc/55/65/82/453556582.db2.gz HSKAPGGJURWUKF-QZTJIDSGSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000667325902 453556585 /nfs/dbraw/zinc/55/65/85/453556585.db2.gz HSKAPGGJURWUKF-QZTJIDSGSA-N 2 2 330.476 1.997 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000667331973 453565606 /nfs/dbraw/zinc/56/56/06/453565606.db2.gz PWJBTBFVQJWJJU-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000667331973 453565608 /nfs/dbraw/zinc/56/56/08/453565608.db2.gz PWJBTBFVQJWJJU-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP Nc1cc[nH+]cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662851213 453570379 /nfs/dbraw/zinc/57/03/79/453570379.db2.gz YJDNFDMEJAWAPX-MSOLQXFVSA-N 2 2 338.411 1.220 20 0 EDADLP Nc1cc[nH+]cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662851213 453570383 /nfs/dbraw/zinc/57/03/83/453570383.db2.gz YJDNFDMEJAWAPX-MSOLQXFVSA-N 2 2 338.411 1.220 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000662851135 453571217 /nfs/dbraw/zinc/57/12/17/453571217.db2.gz XITLUTLIHQYYML-KANFNMMFSA-N 2 2 343.471 1.486 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000662851135 453571220 /nfs/dbraw/zinc/57/12/20/453571220.db2.gz XITLUTLIHQYYML-KANFNMMFSA-N 2 2 343.471 1.486 20 0 EDADLP O=C(N(CC[NH+]1CCOCC1)CC1CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662909626 453598673 /nfs/dbraw/zinc/59/86/73/453598673.db2.gz HCYYQVHXYDHSIX-HNNXBMFYSA-N 2 2 349.397 1.099 20 0 EDADLP CCN1OC[C@@H]([NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)C1=O ZINC000660857548 453614529 /nfs/dbraw/zinc/61/45/29/453614529.db2.gz RACIKYYAQRMUJH-MRXNPFEDSA-N 2 2 328.416 1.980 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000662946140 453619813 /nfs/dbraw/zinc/61/98/13/453619813.db2.gz AQMSCAJTZKHMAQ-QZTJIDSGSA-N 2 2 349.475 1.277 20 0 EDADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](CCC[NH3+])COC)cc1 ZINC000665255477 453627354 /nfs/dbraw/zinc/62/73/54/453627354.db2.gz UFLDZDZDVDVDGT-WDSOQIARSA-N 3 2 335.492 1.874 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259466 453628663 /nfs/dbraw/zinc/62/86/63/453628663.db2.gz GWLHQUPBSYPIJX-ZMSDIMECSA-N 3 2 339.455 1.623 20 0 EDADLP Cc1cc(F)cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000657071340 453660917 /nfs/dbraw/zinc/66/09/17/453660917.db2.gz KNYBOERTDWBLCC-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP Cc1cc(F)cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657071340 453660918 /nfs/dbraw/zinc/66/09/18/453660918.db2.gz KNYBOERTDWBLCC-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000665364701 453668786 /nfs/dbraw/zinc/66/87/86/453668786.db2.gz VRIOJAVBBSVWRF-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000665364701 453668789 /nfs/dbraw/zinc/66/87/89/453668789.db2.gz VRIOJAVBBSVWRF-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC1C[NH+](C)C1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000657122653 453692096 /nfs/dbraw/zinc/69/20/96/453692096.db2.gz CPRFRRNHBBYTEB-UHFFFAOYSA-N 2 2 334.445 1.114 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000665462242 453701359 /nfs/dbraw/zinc/70/13/59/453701359.db2.gz IGZHOLKZIGJLOH-HKUYNNGSSA-N 2 2 343.471 1.966 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000665462242 453701364 /nfs/dbraw/zinc/70/13/64/453701364.db2.gz IGZHOLKZIGJLOH-HKUYNNGSSA-N 2 2 343.471 1.966 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000661069016 453701442 /nfs/dbraw/zinc/70/14/42/453701442.db2.gz GACUBRRFCNDAHR-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC2(CCC2)C1 ZINC000659286457 453701634 /nfs/dbraw/zinc/70/16/34/453701634.db2.gz HJNTUIZUWMAZMV-UHFFFAOYSA-N 2 2 330.432 1.196 20 0 EDADLP [NH3+]C[C@@H]1OCC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000663251757 453746822 /nfs/dbraw/zinc/74/68/22/453746822.db2.gz WALBNZHLVYBNHA-CVEARBPZSA-N 2 2 344.415 1.400 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657357872 453774366 /nfs/dbraw/zinc/77/43/66/453774366.db2.gz GTHKMGKQPLZGRQ-UHFFFAOYSA-N 2 2 333.480 1.325 20 0 EDADLP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000657401585 453782323 /nfs/dbraw/zinc/78/23/23/453782323.db2.gz WUEZRIWRBKKPKA-HIFRSBDPSA-N 2 2 346.397 1.906 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000663479530 453805030 /nfs/dbraw/zinc/80/50/30/453805030.db2.gz ASPRYSMGBJSVEV-CQSZACIVSA-N 2 2 346.479 1.807 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000663479530 453805031 /nfs/dbraw/zinc/80/50/31/453805031.db2.gz ASPRYSMGBJSVEV-CQSZACIVSA-N 2 2 346.479 1.807 20 0 EDADLP Cn1c(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)nc2ccccc21 ZINC000663486058 453807544 /nfs/dbraw/zinc/80/75/44/453807544.db2.gz SAUVAJHNTIMWQV-UHFFFAOYSA-N 2 2 346.479 1.256 20 0 EDADLP Cn1c(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc2ccccc21 ZINC000663486058 453807546 /nfs/dbraw/zinc/80/75/46/453807546.db2.gz SAUVAJHNTIMWQV-UHFFFAOYSA-N 2 2 346.479 1.256 20 0 EDADLP CN(C(=O)[C@@H]1CCCCS1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679985300 486690060 /nfs/dbraw/zinc/69/00/60/486690060.db2.gz WSTYFYUSVGQSPM-CVEARBPZSA-N 2 2 325.522 1.899 20 0 EDADLP CN(C(=O)[C@@H]1CCCCS1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679985300 486690062 /nfs/dbraw/zinc/69/00/62/486690062.db2.gz WSTYFYUSVGQSPM-CVEARBPZSA-N 2 2 325.522 1.899 20 0 EDADLP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000680074557 486701745 /nfs/dbraw/zinc/70/17/45/486701745.db2.gz UWDGGWUHUGNEAN-HNNXBMFYSA-N 2 2 348.443 1.715 20 0 EDADLP C[N@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000680074557 486701748 /nfs/dbraw/zinc/70/17/48/486701748.db2.gz UWDGGWUHUGNEAN-HNNXBMFYSA-N 2 2 348.443 1.715 20 0 EDADLP CC(=O)NC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000671679273 486712391 /nfs/dbraw/zinc/71/23/91/486712391.db2.gz PALPAYXBWNUZNU-UHFFFAOYSA-N 2 2 344.503 1.799 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCN1CCCS1(=O)=O ZINC000680328287 486751324 /nfs/dbraw/zinc/75/13/24/486751324.db2.gz FJUWYIKFIXCZPM-UHFFFAOYSA-N 2 2 349.460 1.043 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCN1CCCS1(=O)=O ZINC000680328287 486751328 /nfs/dbraw/zinc/75/13/28/486751328.db2.gz FJUWYIKFIXCZPM-UHFFFAOYSA-N 2 2 349.460 1.043 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[C@H]([NH3+])C3)c[nH+]2)CCO1 ZINC000416989560 486790459 /nfs/dbraw/zinc/79/04/59/486790459.db2.gz ORYLGHXNWBEFMH-KBMXLJTQSA-N 2 2 347.463 1.376 20 0 EDADLP O=C1NCCN1C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667465093 486790760 /nfs/dbraw/zinc/79/07/60/486790760.db2.gz LMSVUFSXNUYTGN-UHFFFAOYSA-N 2 2 326.404 1.257 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[NH2+][C@@H](C(C)C)C3)ccc2[nH+]1 ZINC000667517432 486817802 /nfs/dbraw/zinc/81/78/02/486817802.db2.gz ILKOXQNSJJUULB-CQSZACIVSA-N 2 2 329.404 1.038 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCCC3(F)F)C2)CC1 ZINC000672874890 486827054 /nfs/dbraw/zinc/82/70/54/486827054.db2.gz ZASNLEUOGOECKA-OCCSQVGLSA-N 2 2 330.423 1.642 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCCC3(F)F)C2)CC1 ZINC000672874890 486827059 /nfs/dbraw/zinc/82/70/59/486827059.db2.gz ZASNLEUOGOECKA-OCCSQVGLSA-N 2 2 330.423 1.642 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683849799 486839411 /nfs/dbraw/zinc/83/94/11/486839411.db2.gz BQDXVWDNEMEYHT-ZWKOTPCHSA-N 3 2 334.508 1.240 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683849799 486839414 /nfs/dbraw/zinc/83/94/14/486839414.db2.gz BQDXVWDNEMEYHT-ZWKOTPCHSA-N 3 2 334.508 1.240 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C1CC1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000683849799 486839419 /nfs/dbraw/zinc/83/94/19/486839419.db2.gz BQDXVWDNEMEYHT-ZWKOTPCHSA-N 3 2 334.508 1.240 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C1CC1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000683849799 486839422 /nfs/dbraw/zinc/83/94/22/486839422.db2.gz BQDXVWDNEMEYHT-ZWKOTPCHSA-N 3 2 334.508 1.240 20 0 EDADLP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000667559813 486847030 /nfs/dbraw/zinc/84/70/30/486847030.db2.gz UIVCEPKKSFSJAU-GFCCVEGCSA-N 2 2 341.415 1.288 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1nc(-c2ccccn2)no1 ZINC000676716704 486853555 /nfs/dbraw/zinc/85/35/55/486853555.db2.gz CXPRSZRFXRIWOM-BMFZPTHFSA-N 2 2 343.431 1.815 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1nc(-c2ccccn2)no1 ZINC000676716704 486853558 /nfs/dbraw/zinc/85/35/58/486853558.db2.gz CXPRSZRFXRIWOM-BMFZPTHFSA-N 2 2 343.431 1.815 20 0 EDADLP Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000667617233 486882025 /nfs/dbraw/zinc/88/20/25/486882025.db2.gz LQTFVUBAKSDGSA-UHFFFAOYSA-N 2 2 334.386 1.982 20 0 EDADLP CCN1CC[N@H+](CCOCCN2CC[NH+](CC)[C@H](C)C2)C[C@@H]1C ZINC000677193129 487003489 /nfs/dbraw/zinc/00/34/89/487003489.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[N@@H+](CCOCCN2CC[NH+](CC)[C@H](C)C2)C[C@@H]1C ZINC000677193129 487003494 /nfs/dbraw/zinc/00/34/94/487003494.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[NH+](CCOCCN2CC[N@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000677193129 487003501 /nfs/dbraw/zinc/00/35/01/487003501.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[NH+](CCOCCN2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000677193129 487003505 /nfs/dbraw/zinc/00/35/05/487003505.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[N@H+](CCOCCN2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000677193129 487003509 /nfs/dbraw/zinc/00/35/09/487003509.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[N@@H+](CCOCCN2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000677193129 487003513 /nfs/dbraw/zinc/00/35/13/487003513.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[NH+](CCOCCN2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000677193129 487003516 /nfs/dbraw/zinc/00/35/16/487003516.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[NH+](CCOCCN2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000677193129 487003519 /nfs/dbraw/zinc/00/35/19/487003519.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(C(F)F)CC3)C2)CC1 ZINC000684266400 487006888 /nfs/dbraw/zinc/00/68/88/487006888.db2.gz VUAUAFNJXGOZJY-LBPRGKRZSA-N 2 2 330.423 1.499 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(C(F)F)CC3)C2)CC1 ZINC000684266400 487006892 /nfs/dbraw/zinc/00/68/92/487006892.db2.gz VUAUAFNJXGOZJY-LBPRGKRZSA-N 2 2 330.423 1.499 20 0 EDADLP CN(C(=O)c1ccn(C)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290807 487033872 /nfs/dbraw/zinc/03/38/72/487033872.db2.gz QNZPQCSNBNGYDW-MSOLQXFVSA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1ccn(C)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290807 487033877 /nfs/dbraw/zinc/03/38/77/487033877.db2.gz QNZPQCSNBNGYDW-MSOLQXFVSA-N 2 2 347.507 1.829 20 0 EDADLP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000684366658 487039885 /nfs/dbraw/zinc/03/98/85/487039885.db2.gz FZUUDXUXHLKUIB-DLBZAZTESA-N 2 2 333.480 1.536 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000684527119 487089308 /nfs/dbraw/zinc/08/93/08/487089308.db2.gz LWIYWCQYNKRTBE-CQSZACIVSA-N 2 2 341.415 1.198 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1Cc1ccccn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000673669145 487083902 /nfs/dbraw/zinc/08/39/02/487083902.db2.gz DVSGKSAZNOKHTE-QZTJIDSGSA-N 2 2 328.460 1.741 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1Cc1ccccn1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000673669145 487083910 /nfs/dbraw/zinc/08/39/10/487083910.db2.gz DVSGKSAZNOKHTE-QZTJIDSGSA-N 2 2 328.460 1.741 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000673669145 487083917 /nfs/dbraw/zinc/08/39/17/487083917.db2.gz DVSGKSAZNOKHTE-QZTJIDSGSA-N 2 2 328.460 1.741 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000673669145 487083922 /nfs/dbraw/zinc/08/39/22/487083922.db2.gz DVSGKSAZNOKHTE-QZTJIDSGSA-N 2 2 328.460 1.741 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCCC[NH+]3CCOCC3)[nH+]c12 ZINC000673767184 487109259 /nfs/dbraw/zinc/10/92/59/487109259.db2.gz CJVPUHIEGLQDNJ-UHFFFAOYSA-N 2 2 345.447 1.207 20 0 EDADLP CC(C)C[C@H]([NH2+]Cc1n[nH]c2ccccc12)C(=O)NCC[NH+](C)C ZINC000677521392 487109257 /nfs/dbraw/zinc/10/92/57/487109257.db2.gz MYOASQUYIJJKDH-INIZCTEOSA-N 2 2 331.464 1.745 20 0 EDADLP COCC[NH+]1CCC(NC(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000668152587 487121370 /nfs/dbraw/zinc/12/13/70/487121370.db2.gz RNUUOZQYESCAGD-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000685035816 487218500 /nfs/dbraw/zinc/21/85/00/487218500.db2.gz JUACDEGFCKWYCV-UHFFFAOYSA-N 2 2 334.390 1.788 20 0 EDADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000685035816 487218502 /nfs/dbraw/zinc/21/85/02/487218502.db2.gz JUACDEGFCKWYCV-UHFFFAOYSA-N 2 2 334.390 1.788 20 0 EDADLP CC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000685325400 487260852 /nfs/dbraw/zinc/26/08/52/487260852.db2.gz XCRBWHQVVWSLKL-UHFFFAOYSA-N 2 2 331.869 1.561 20 0 EDADLP Cn1nc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c2ccccc21 ZINC000678259196 487277116 /nfs/dbraw/zinc/27/71/16/487277116.db2.gz ZQPBAJOSWPKQGS-MRXNPFEDSA-N 2 2 327.476 1.785 20 0 EDADLP Cn1nc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC000678259196 487277117 /nfs/dbraw/zinc/27/71/17/487277117.db2.gz ZQPBAJOSWPKQGS-MRXNPFEDSA-N 2 2 327.476 1.785 20 0 EDADLP CN(C(=O)[C@@H]1CCCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785955 487323673 /nfs/dbraw/zinc/32/36/73/487323673.db2.gz MSSCOHKIHGZPTA-ZBFHGGJFSA-N 2 2 325.522 1.757 20 0 EDADLP CN(C(=O)[C@@H]1CCCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785955 487323675 /nfs/dbraw/zinc/32/36/75/487323675.db2.gz MSSCOHKIHGZPTA-ZBFHGGJFSA-N 2 2 325.522 1.757 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000685789064 487324191 /nfs/dbraw/zinc/32/41/91/487324191.db2.gz QNYWMSNIYVXGCQ-UHFFFAOYSA-N 2 2 348.491 1.574 20 0 EDADLP O=S1(=O)CC[C@@H]([NH+]2CCN(c3cc[nH+]c4c(O)cccc34)CC2)C1 ZINC000682237751 487328119 /nfs/dbraw/zinc/32/81/19/487328119.db2.gz OYTVENDXTGCFBA-CYBMUJFWSA-N 2 2 347.440 1.250 20 0 EDADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000678770352 487362362 /nfs/dbraw/zinc/36/23/62/487362362.db2.gz MVSXYTZNEATNPS-HOTGVXAUSA-N 2 2 333.457 1.871 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000678885462 487376114 /nfs/dbraw/zinc/37/61/14/487376114.db2.gz CNOXGFVORNKLMS-WBVHZDCISA-N 2 2 339.505 1.378 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000678885462 487376117 /nfs/dbraw/zinc/37/61/17/487376117.db2.gz CNOXGFVORNKLMS-WBVHZDCISA-N 2 2 339.505 1.378 20 0 EDADLP C[N@H+](CCSc1ccccc1F)CC(=O)N1CC[NH+](C)CC1 ZINC000679378403 487419920 /nfs/dbraw/zinc/41/99/20/487419920.db2.gz NICCDJYLOASXSM-UHFFFAOYSA-N 2 2 325.453 1.624 20 0 EDADLP C[N@@H+](CCSc1ccccc1F)CC(=O)N1CC[NH+](C)CC1 ZINC000679378403 487419921 /nfs/dbraw/zinc/41/99/21/487419921.db2.gz NICCDJYLOASXSM-UHFFFAOYSA-N 2 2 325.453 1.624 20 0 EDADLP CC[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCOC1 ZINC000683044232 487445349 /nfs/dbraw/zinc/44/53/49/487445349.db2.gz RLHXDRLWUJSHSC-KRWDZBQOSA-N 2 2 337.489 1.551 20 0 EDADLP C[C@H]1COC(C)(C)CN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683083133 487448365 /nfs/dbraw/zinc/44/83/65/487448365.db2.gz OQDGOPSBSMYUOS-LSDHHAIUSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H]1COC(C)(C)CN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683083133 487448366 /nfs/dbraw/zinc/44/83/66/487448366.db2.gz OQDGOPSBSMYUOS-LSDHHAIUSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000683145519 487454592 /nfs/dbraw/zinc/45/45/92/487454592.db2.gz ASDCFUGOMNWUQS-HNAYVOBHSA-N 2 2 347.459 1.614 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](OC(F)F)C1)NC1CC[NH+](C2CC2)CC1 ZINC000679682465 487457025 /nfs/dbraw/zinc/45/70/25/487457025.db2.gz QTVQCBRXKMFXIM-CQSZACIVSA-N 2 2 331.407 1.433 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](OC(F)F)C1)NC1CC[NH+](C2CC2)CC1 ZINC000679682465 487457028 /nfs/dbraw/zinc/45/70/28/487457028.db2.gz QTVQCBRXKMFXIM-CQSZACIVSA-N 2 2 331.407 1.433 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CC(c3nc4ccccc4[nH]3)C2)CC1 ZINC000675975720 487462908 /nfs/dbraw/zinc/46/29/08/487462908.db2.gz YBWMSAUUJBGDFV-UHFFFAOYSA-N 2 2 341.459 1.563 20 0 EDADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C12CCCCC2 ZINC000669520668 485487937 /nfs/dbraw/zinc/48/79/37/485487937.db2.gz TVELXRBPGQFMFZ-HRCADAONSA-N 2 2 338.496 1.399 20 0 EDADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C12CCCCC2 ZINC000669520668 485487946 /nfs/dbraw/zinc/48/79/46/485487946.db2.gz TVELXRBPGQFMFZ-HRCADAONSA-N 2 2 338.496 1.399 20 0 EDADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000669521448 485488998 /nfs/dbraw/zinc/48/89/98/485488998.db2.gz NVHFSPBNBJURQD-YOEHRIQHSA-N 2 2 325.416 1.273 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000669543291 485529688 /nfs/dbraw/zinc/52/96/88/485529688.db2.gz WAIJWBPTDWDAGG-OAHLLOKOSA-N 2 2 340.855 1.141 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000669543291 485529696 /nfs/dbraw/zinc/52/96/96/485529696.db2.gz WAIJWBPTDWDAGG-OAHLLOKOSA-N 2 2 340.855 1.141 20 0 EDADLP COc1ccc(C2(CNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CCC2)cc1 ZINC000669557513 485562422 /nfs/dbraw/zinc/56/24/22/485562422.db2.gz RZFBWEGJCUYCDS-MRXNPFEDSA-N 2 2 346.475 1.401 20 0 EDADLP COc1ccc(C2(CNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CCC2)cc1 ZINC000669557513 485562425 /nfs/dbraw/zinc/56/24/25/485562425.db2.gz RZFBWEGJCUYCDS-MRXNPFEDSA-N 2 2 346.475 1.401 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669024398 485573481 /nfs/dbraw/zinc/57/34/81/485573481.db2.gz DTHWFZXDGVINHT-RISCZKNCSA-N 2 2 333.823 1.881 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986472 485611023 /nfs/dbraw/zinc/61/10/23/485611023.db2.gz UMFQCCNEAKWJMI-ROUUACIJSA-N 2 2 337.508 1.964 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986472 485611029 /nfs/dbraw/zinc/61/10/29/485611029.db2.gz UMFQCCNEAKWJMI-ROUUACIJSA-N 2 2 337.508 1.964 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NCC1CCCCC1 ZINC000670986714 485612405 /nfs/dbraw/zinc/61/24/05/485612405.db2.gz XIKUSLUJKAXDIU-GOSISDBHSA-N 2 2 337.508 1.870 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NCC1CCCCC1 ZINC000670986714 485612414 /nfs/dbraw/zinc/61/24/14/485612414.db2.gz XIKUSLUJKAXDIU-GOSISDBHSA-N 2 2 337.508 1.870 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CC1 ZINC000669584366 485634624 /nfs/dbraw/zinc/63/46/24/485634624.db2.gz XXXCPWZESDDJID-BBWFWOEESA-N 2 2 339.443 1.926 20 0 EDADLP CN(C)C(=O)CN(CC[NH+](C)C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000668559197 485892425 /nfs/dbraw/zinc/89/24/25/485892425.db2.gz BWWRSKGVKZEEJW-UHFFFAOYSA-N 2 2 329.448 1.324 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@H]3CCc4c[nH+]cn4C3)CC2)[nH+]c1 ZINC000672148611 485898822 /nfs/dbraw/zinc/89/88/22/485898822.db2.gz SOFXDKRRAKENTG-INIZCTEOSA-N 2 2 339.443 1.934 20 0 EDADLP Cc1cc(N2CCN(C(=O)CC3([NH3+])CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000236883808 485941806 /nfs/dbraw/zinc/94/18/06/485941806.db2.gz GYYOYCQSVUVHCW-UHFFFAOYSA-N 2 2 331.464 1.829 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000344669892 485948642 /nfs/dbraw/zinc/94/86/42/485948642.db2.gz SZAWMAIQFWTGGY-ZACQAIPSSA-N 2 2 346.475 1.863 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616640 485953916 /nfs/dbraw/zinc/95/39/16/485953916.db2.gz FZLLGFMELBYVTP-GVDBMIGSSA-N 2 2 337.508 1.817 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616640 485953919 /nfs/dbraw/zinc/95/39/19/485953919.db2.gz FZLLGFMELBYVTP-GVDBMIGSSA-N 2 2 337.508 1.817 20 0 EDADLP CN(C(=O)c1ccnn1C(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617412 485956826 /nfs/dbraw/zinc/95/68/26/485956826.db2.gz KMPMLWLEBUSXJP-ZDUSSCGKSA-N 2 2 341.406 1.519 20 0 EDADLP CN(C(=O)c1ccnn1C(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617412 485956829 /nfs/dbraw/zinc/95/68/29/485956829.db2.gz KMPMLWLEBUSXJP-ZDUSSCGKSA-N 2 2 341.406 1.519 20 0 EDADLP Cn1c[nH+]cc1Cc1noc([C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)n1 ZINC000346906374 486005179 /nfs/dbraw/zinc/00/51/79/486005179.db2.gz YSALQPJOJOAOIH-ZBFHGGJFSA-N 2 2 331.420 1.608 20 0 EDADLP CC(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1O ZINC000668688453 486048380 /nfs/dbraw/zinc/04/83/80/486048380.db2.gz OEJGKNULOGQLOP-UHFFFAOYSA-N 2 2 347.459 1.693 20 0 EDADLP CC(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1O ZINC000668688453 486048384 /nfs/dbraw/zinc/04/83/84/486048384.db2.gz OEJGKNULOGQLOP-UHFFFAOYSA-N 2 2 347.459 1.693 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669409000 486096711 /nfs/dbraw/zinc/09/67/11/486096711.db2.gz AHUBDYNRYYNBGD-GDBMZVCRSA-N 2 2 325.416 1.766 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000668792787 486201943 /nfs/dbraw/zinc/20/19/43/486201943.db2.gz KAYBDAQXHKTPPQ-UHFFFAOYSA-N 2 2 328.445 1.990 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000668792787 486201949 /nfs/dbraw/zinc/20/19/49/486201949.db2.gz KAYBDAQXHKTPPQ-UHFFFAOYSA-N 3 2 328.445 1.990 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000669475969 486234424 /nfs/dbraw/zinc/23/44/24/486234424.db2.gz BSEAAEZSQNHQQW-SZMVWBNQSA-N 2 2 346.475 1.061 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)[nH+]c12 ZINC000669511762 486294550 /nfs/dbraw/zinc/29/45/50/486294550.db2.gz FNWXHJRAWDUUQF-CABCVRRESA-N 2 2 329.448 1.873 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCC1(F)F ZINC000673205014 486480119 /nfs/dbraw/zinc/48/01/19/486480119.db2.gz LBNXVKVJUHLWMD-CQSZACIVSA-N 2 2 332.439 1.842 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCC1(F)F ZINC000673205014 486480121 /nfs/dbraw/zinc/48/01/21/486480121.db2.gz LBNXVKVJUHLWMD-CQSZACIVSA-N 2 2 332.439 1.842 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000670504143 486598905 /nfs/dbraw/zinc/59/89/05/486598905.db2.gz VKMHYWKNSJGSMC-INIZCTEOSA-N 2 2 349.479 1.282 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000670079779 486605522 /nfs/dbraw/zinc/60/55/22/486605522.db2.gz SVVJDCCFKPCDGP-UHFFFAOYSA-N 2 2 339.443 1.749 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000670079779 486605527 /nfs/dbraw/zinc/60/55/27/486605527.db2.gz SVVJDCCFKPCDGP-UHFFFAOYSA-N 2 2 339.443 1.749 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000131434069 491212719 /nfs/dbraw/zinc/21/27/19/491212719.db2.gz BRMRLZOOBFWFBU-ZDUSSCGKSA-N 2 2 330.457 1.682 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000131434069 491212723 /nfs/dbraw/zinc/21/27/23/491212723.db2.gz BRMRLZOOBFWFBU-ZDUSSCGKSA-N 2 2 330.457 1.682 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000305350854 491011098 /nfs/dbraw/zinc/01/10/98/491011098.db2.gz WFUYEYYRFMQYHK-HLLBOEOZSA-N 2 2 331.416 1.721 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000305350854 491011099 /nfs/dbraw/zinc/01/10/99/491011099.db2.gz WFUYEYYRFMQYHK-HLLBOEOZSA-N 2 2 331.416 1.721 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000159179644 534004890 /nfs/dbraw/zinc/00/48/90/534004890.db2.gz CEMQTCBONXBEOO-NEWSRXKRSA-N 2 2 328.460 1.887 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000159179644 534004896 /nfs/dbraw/zinc/00/48/96/534004896.db2.gz CEMQTCBONXBEOO-NEWSRXKRSA-N 2 2 328.460 1.887 20 0 EDADLP CC[N@H+](CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1 ZINC000188699283 521020528 /nfs/dbraw/zinc/02/05/28/521020528.db2.gz HIBQBFXQRJCSSS-UHFFFAOYSA-N 2 2 327.432 1.702 20 0 EDADLP CC[N@@H+](CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1 ZINC000188699283 521020530 /nfs/dbraw/zinc/02/05/30/521020530.db2.gz HIBQBFXQRJCSSS-UHFFFAOYSA-N 2 2 327.432 1.702 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129364864 534685968 /nfs/dbraw/zinc/68/59/68/534685968.db2.gz XEDFILINBRDVAN-HNNXBMFYSA-N 2 2 329.448 1.938 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc[nH+]1 ZINC000129117574 534753790 /nfs/dbraw/zinc/75/37/90/534753790.db2.gz XLFVRVPKLDZDSV-ZNMIVQPWSA-N 2 2 331.464 1.695 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc[nH+]1 ZINC000129117574 534753796 /nfs/dbraw/zinc/75/37/96/534753796.db2.gz XLFVRVPKLDZDSV-ZNMIVQPWSA-N 2 2 331.464 1.695 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000168163988 528494955 /nfs/dbraw/zinc/49/49/55/528494955.db2.gz NVEPSWILPZCRJS-UKRRQHHQSA-N 2 2 325.478 1.563 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C(=O)N(C)C)c3ccccc3)C2)CC1 ZINC000171530035 529151590 /nfs/dbraw/zinc/15/15/90/529151590.db2.gz NEJGBZDDTOGZLM-MOPGFXCFSA-N 2 2 344.503 1.528 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C(=O)N(C)C)c3ccccc3)C2)CC1 ZINC000171530035 529151591 /nfs/dbraw/zinc/15/15/91/529151591.db2.gz NEJGBZDDTOGZLM-MOPGFXCFSA-N 2 2 344.503 1.528 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C(=O)OC)ccc3F)C2)CC1 ZINC000181933769 529152732 /nfs/dbraw/zinc/15/27/32/529152732.db2.gz SQEYSEXLRDPUQB-KRWDZBQOSA-N 2 2 349.450 1.824 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C(=O)OC)ccc3F)C2)CC1 ZINC000181933769 529152733 /nfs/dbraw/zinc/15/27/33/529152733.db2.gz SQEYSEXLRDPUQB-KRWDZBQOSA-N 2 2 349.450 1.824 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000236681380 534934499 /nfs/dbraw/zinc/93/44/99/534934499.db2.gz NENKTZJEQXGUEU-MRXNPFEDSA-N 2 2 329.510 1.076 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000246473199 534953362 /nfs/dbraw/zinc/95/33/62/534953362.db2.gz QVUHUOLXWPIJEN-HRCADAONSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000246473199 534953372 /nfs/dbraw/zinc/95/33/72/534953372.db2.gz QVUHUOLXWPIJEN-HRCADAONSA-N 2 2 326.485 1.127 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CC[NH2+]C3)CCCC2)no1 ZINC000236942816 535611880 /nfs/dbraw/zinc/61/18/80/535611880.db2.gz XYVVKQFFMABIQT-ZDUSSCGKSA-N 2 2 335.452 1.406 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000353319999 535737997 /nfs/dbraw/zinc/73/79/97/535737997.db2.gz IOIKBFCHZYAINW-OAHLLOKOSA-N 2 2 345.413 1.657 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000353319999 535738005 /nfs/dbraw/zinc/73/80/05/535738005.db2.gz IOIKBFCHZYAINW-OAHLLOKOSA-N 2 2 345.413 1.657 20 0 EDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc(=O)[nH][nH]2)CC1 ZINC000271771692 535745783 /nfs/dbraw/zinc/74/57/83/535745783.db2.gz GAQWFSDZAVKVDR-GFCCVEGCSA-N 2 2 348.426 1.230 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000237164201 536340280 /nfs/dbraw/zinc/34/02/80/536340280.db2.gz ULSJMIHDXQIBNS-SFHVURJKSA-N 3 2 330.476 1.361 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000262200645 536669597 /nfs/dbraw/zinc/66/95/97/536669597.db2.gz CZVPFLSVMDYLCQ-XHDPSFHLSA-N 2 2 327.375 1.019 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000262200645 536669603 /nfs/dbraw/zinc/66/96/03/536669603.db2.gz CZVPFLSVMDYLCQ-XHDPSFHLSA-N 2 2 327.375 1.019 20 0 EDADLP COc1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000742011233 579433077 /nfs/dbraw/zinc/43/30/77/579433077.db2.gz MEJFQUSDKVPCPC-UHFFFAOYSA-N 2 2 347.463 1.165 20 0 EDADLP C[N@H+](CCc1cccs1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000743382805 579478455 /nfs/dbraw/zinc/47/84/55/579478455.db2.gz WHMDYSCPIFXWDK-UHFFFAOYSA-N 2 2 336.461 1.196 20 0 EDADLP C[N@@H+](CCc1cccs1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000743382805 579478456 /nfs/dbraw/zinc/47/84/56/579478456.db2.gz WHMDYSCPIFXWDK-UHFFFAOYSA-N 2 2 336.461 1.196 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000759574801 580009375 /nfs/dbraw/zinc/00/93/75/580009375.db2.gz LOLGVMJHONMWCI-UHFFFAOYSA-N 2 2 336.399 1.967 20 0 EDADLP O=C1CN([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c2ccccc2N1 ZINC000759896989 580018332 /nfs/dbraw/zinc/01/83/32/580018332.db2.gz JWIXRIOKDFGCNZ-HNNXBMFYSA-N 2 2 325.416 1.806 20 0 EDADLP O=C1CN([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c2ccccc2N1 ZINC000759896989 580018333 /nfs/dbraw/zinc/01/83/33/580018333.db2.gz JWIXRIOKDFGCNZ-HNNXBMFYSA-N 2 2 325.416 1.806 20 0 EDADLP CC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000760094494 580022780 /nfs/dbraw/zinc/02/27/80/580022780.db2.gz DIRAITLCGRXFGS-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP CC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000760094494 580022781 /nfs/dbraw/zinc/02/27/81/580022781.db2.gz DIRAITLCGRXFGS-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP C[C@H](c1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[NH+]1CCOCC1 ZINC000729408888 578570402 /nfs/dbraw/zinc/57/04/02/578570402.db2.gz DEGIPFSZVXCKSL-MRXNPFEDSA-N 2 2 347.459 1.741 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000729980116 578605354 /nfs/dbraw/zinc/60/53/54/578605354.db2.gz LPFUEXYKDLWKGA-HNNXBMFYSA-N 2 2 329.404 1.108 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000729980116 578605355 /nfs/dbraw/zinc/60/53/55/578605355.db2.gz LPFUEXYKDLWKGA-HNNXBMFYSA-N 2 2 329.404 1.108 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734268248 578805622 /nfs/dbraw/zinc/80/56/22/578805622.db2.gz YYZTXGZJWGIBGI-CQSZACIVSA-N 2 2 326.404 1.303 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734268248 578805624 /nfs/dbraw/zinc/80/56/24/578805624.db2.gz YYZTXGZJWGIBGI-CQSZACIVSA-N 2 2 326.404 1.303 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735279509 578873515 /nfs/dbraw/zinc/87/35/15/578873515.db2.gz AKHDEOPRPVIZFN-SJLPKXTDSA-N 2 2 333.476 1.593 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735279509 578873516 /nfs/dbraw/zinc/87/35/16/578873516.db2.gz AKHDEOPRPVIZFN-SJLPKXTDSA-N 2 2 333.476 1.593 20 0 EDADLP CC(C)[NH+](C)CC(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735279509 578873517 /nfs/dbraw/zinc/87/35/17/578873517.db2.gz AKHDEOPRPVIZFN-SJLPKXTDSA-N 2 2 333.476 1.593 20 0 EDADLP CC(C)[NH+](C)CC(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735279509 578873518 /nfs/dbraw/zinc/87/35/18/578873518.db2.gz AKHDEOPRPVIZFN-SJLPKXTDSA-N 2 2 333.476 1.593 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000735292161 578874331 /nfs/dbraw/zinc/87/43/31/578874331.db2.gz OGALFGJCFRYHIC-KBAYOESNSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000735292161 578874332 /nfs/dbraw/zinc/87/43/32/578874332.db2.gz OGALFGJCFRYHIC-KBAYOESNSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C[C@@H](O)c1ccccc1 ZINC000735292161 578874333 /nfs/dbraw/zinc/87/43/33/578874333.db2.gz OGALFGJCFRYHIC-KBAYOESNSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C[C@@H](O)c1ccccc1 ZINC000735292161 578874334 /nfs/dbraw/zinc/87/43/34/578874334.db2.gz OGALFGJCFRYHIC-KBAYOESNSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000735292172 578874418 /nfs/dbraw/zinc/87/44/18/578874418.db2.gz OGALFGJCFRYHIC-NXHRZFHOSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000735292172 578874419 /nfs/dbraw/zinc/87/44/19/578874419.db2.gz OGALFGJCFRYHIC-NXHRZFHOSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000735292172 578874420 /nfs/dbraw/zinc/87/44/20/578874420.db2.gz OGALFGJCFRYHIC-NXHRZFHOSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000735292172 578874421 /nfs/dbraw/zinc/87/44/21/578874421.db2.gz OGALFGJCFRYHIC-NXHRZFHOSA-N 2 2 331.460 1.347 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000746298028 579585636 /nfs/dbraw/zinc/58/56/36/579585636.db2.gz DNRPLPJCSMDCQM-XJKSGUPXSA-N 2 2 328.416 1.634 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000746298027 579585666 /nfs/dbraw/zinc/58/56/66/579585666.db2.gz DNRPLPJCSMDCQM-CZUORRHYSA-N 2 2 328.416 1.634 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)NCC[NH+]1CCC1)c1[nH+]ccn1C ZINC000752642641 579862845 /nfs/dbraw/zinc/86/28/45/579862845.db2.gz WAYNZQFWNSRUBD-MRXNPFEDSA-N 2 2 343.431 1.523 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NCC[NH+]3CCC3)CC2)cc1 ZINC000752679048 579863636 /nfs/dbraw/zinc/86/36/36/579863636.db2.gz DACVVWVTTYNSFY-UHFFFAOYSA-N 2 2 345.491 1.726 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)NCC[NH+]3CCC3)CC2)cc1 ZINC000752679048 579863637 /nfs/dbraw/zinc/86/36/37/579863637.db2.gz DACVVWVTTYNSFY-UHFFFAOYSA-N 2 2 345.491 1.726 20 0 EDADLP Cn1cc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)cn1 ZINC000754866344 579914649 /nfs/dbraw/zinc/91/46/49/579914649.db2.gz JEEKFIGEDUVRCQ-UHFFFAOYSA-N 2 2 345.447 1.182 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000762073310 580066321 /nfs/dbraw/zinc/06/63/21/580066321.db2.gz ILYAWNWJOMKRBN-GOSISDBHSA-N 2 2 347.463 1.836 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000762073310 580066322 /nfs/dbraw/zinc/06/63/22/580066322.db2.gz ILYAWNWJOMKRBN-GOSISDBHSA-N 2 2 347.463 1.836 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000763983471 580109739 /nfs/dbraw/zinc/10/97/39/580109739.db2.gz PIPWZCHPOQXJAJ-OAHLLOKOSA-N 2 2 345.472 1.629 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000763983471 580109740 /nfs/dbraw/zinc/10/97/40/580109740.db2.gz PIPWZCHPOQXJAJ-OAHLLOKOSA-N 2 2 345.472 1.629 20 0 EDADLP COCc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000765416800 580141690 /nfs/dbraw/zinc/14/16/90/580141690.db2.gz LXWSCSAHVZATIS-AWEZNQCLSA-N 2 2 335.448 1.266 20 0 EDADLP O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000769689999 580242898 /nfs/dbraw/zinc/24/28/98/580242898.db2.gz SBVUGULNLZDCPW-UHFFFAOYSA-N 2 2 344.440 1.544 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770414368 580259831 /nfs/dbraw/zinc/25/98/31/580259831.db2.gz AERNPPJWWNSCIX-OAHLLOKOSA-N 2 2 343.431 1.007 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770414368 580259832 /nfs/dbraw/zinc/25/98/32/580259832.db2.gz AERNPPJWWNSCIX-OAHLLOKOSA-N 2 2 343.431 1.007 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc[nH]1 ZINC000771770804 580293391 /nfs/dbraw/zinc/29/33/91/580293391.db2.gz DBDRPVVHVVXECI-ZBFHGGJFSA-N 2 2 333.480 1.886 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc[nH]1 ZINC000771770804 580293392 /nfs/dbraw/zinc/29/33/92/580293392.db2.gz DBDRPVVHVVXECI-ZBFHGGJFSA-N 2 2 333.480 1.886 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CCCCC1 ZINC000774744052 580372656 /nfs/dbraw/zinc/37/26/56/580372656.db2.gz JFKCANAFVUKECL-UHFFFAOYSA-N 2 2 331.526 1.607 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CCCCC1 ZINC000774744052 580372657 /nfs/dbraw/zinc/37/26/57/580372657.db2.gz JFKCANAFVUKECL-UHFFFAOYSA-N 2 2 331.526 1.607 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC(C3CCOCC3)CC2)C1 ZINC000783991480 580610650 /nfs/dbraw/zinc/61/06/50/580610650.db2.gz OIERIKQDLSBPJB-QGZVFWFLSA-N 2 2 346.475 1.832 20 0 EDADLP CCOC(=O)[C@@H]1[C@H]([NH2+]C[C@@H](C)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000788588970 580725289 /nfs/dbraw/zinc/72/52/89/580725289.db2.gz PAUPCDTUAGOCFG-MCIONIFRSA-N 2 2 343.468 1.467 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CCO1 ZINC000790706962 580776697 /nfs/dbraw/zinc/77/66/97/580776697.db2.gz KEVYPKWYODUKSD-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CCO1 ZINC000790706962 580776698 /nfs/dbraw/zinc/77/66/98/580776698.db2.gz KEVYPKWYODUKSD-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000790706962 580776699 /nfs/dbraw/zinc/77/66/99/580776699.db2.gz KEVYPKWYODUKSD-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC000790706962 580776700 /nfs/dbraw/zinc/77/67/00/580776700.db2.gz KEVYPKWYODUKSD-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000791258668 580787614 /nfs/dbraw/zinc/78/76/14/580787614.db2.gz KZHCADYUNPEKJA-CABCVRRESA-N 2 2 329.379 1.526 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000791622759 580796743 /nfs/dbraw/zinc/79/67/43/580796743.db2.gz QPZADDSJGPCIRJ-QRQLOZEOSA-N 2 2 343.471 1.298 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000791622759 580796744 /nfs/dbraw/zinc/79/67/44/580796744.db2.gz QPZADDSJGPCIRJ-QRQLOZEOSA-N 2 2 343.471 1.298 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000791622759 580796745 /nfs/dbraw/zinc/79/67/45/580796745.db2.gz QPZADDSJGPCIRJ-QRQLOZEOSA-N 2 2 343.471 1.298 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000791622759 580796746 /nfs/dbraw/zinc/79/67/46/580796746.db2.gz QPZADDSJGPCIRJ-QRQLOZEOSA-N 2 2 343.471 1.298 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000794392695 580890205 /nfs/dbraw/zinc/89/02/05/580890205.db2.gz JTWSXBJRYMDQFE-HNNXBMFYSA-N 2 2 338.452 1.796 20 0 EDADLP Cc1nccc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000794720536 580904512 /nfs/dbraw/zinc/90/45/12/580904512.db2.gz QHDIUPJDTSWRPZ-KRWDZBQOSA-N 2 2 341.415 1.684 20 0 EDADLP Cc1nccc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000794720536 580904513 /nfs/dbraw/zinc/90/45/13/580904513.db2.gz QHDIUPJDTSWRPZ-KRWDZBQOSA-N 2 2 341.415 1.684 20 0 EDADLP C[C@@H]1C[N@H+](CCOC(=O)CC[NH+]2CCc3ccccc3C2)CCO1 ZINC000800221847 581048136 /nfs/dbraw/zinc/04/81/36/581048136.db2.gz YLMHAJFTFRBWTG-MRXNPFEDSA-N 2 2 332.444 1.699 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC(=O)CC[NH+]2CCc3ccccc3C2)CCO1 ZINC000800221847 581048137 /nfs/dbraw/zinc/04/81/37/581048137.db2.gz YLMHAJFTFRBWTG-MRXNPFEDSA-N 2 2 332.444 1.699 20 0 EDADLP C[C@@H]1C[NH+](CCOC(=O)CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000800221847 581048138 /nfs/dbraw/zinc/04/81/38/581048138.db2.gz YLMHAJFTFRBWTG-MRXNPFEDSA-N 2 2 332.444 1.699 20 0 EDADLP C[C@@H]1C[NH+](CCOC(=O)CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000800221847 581048139 /nfs/dbraw/zinc/04/81/39/581048139.db2.gz YLMHAJFTFRBWTG-MRXNPFEDSA-N 2 2 332.444 1.699 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@H](CCO)C2CC2)CC1 ZINC000893038179 590629988 /nfs/dbraw/zinc/62/99/88/590629988.db2.gz VYJGZZUNEYTWLP-MRXNPFEDSA-N 2 2 341.496 1.726 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC(C[NH+]3CCOCC3)CC2)nc[nH+]1 ZINC000891860071 590659624 /nfs/dbraw/zinc/65/96/24/590659624.db2.gz CFTHNHYUKLJHTG-MRXNPFEDSA-N 2 2 349.479 1.208 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC(C[NH+]3CCOCC3)CC2)[nH+]cn1 ZINC000891860071 590659626 /nfs/dbraw/zinc/65/96/26/590659626.db2.gz CFTHNHYUKLJHTG-MRXNPFEDSA-N 2 2 349.479 1.208 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891940026 590696430 /nfs/dbraw/zinc/69/64/30/590696430.db2.gz PFEGMWJBOJOVHE-JTQLQIEISA-N 2 2 334.449 1.647 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891941019 590697179 /nfs/dbraw/zinc/69/71/79/590697179.db2.gz VBMAWLZSMJKATK-ZIAGYGMSSA-N 2 2 335.452 1.422 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H](C)C[NH3+])C2)cc1 ZINC000892043957 590769143 /nfs/dbraw/zinc/76/91/43/590769143.db2.gz DRRMQBLRWKZMRN-WBVHZDCISA-N 2 2 334.464 1.090 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H](C)C[NH3+])C2)cc1 ZINC000892043957 590769148 /nfs/dbraw/zinc/76/91/48/590769148.db2.gz DRRMQBLRWKZMRN-WBVHZDCISA-N 2 2 334.464 1.090 20 0 EDADLP CC[C@](C)(CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893323659 590779203 /nfs/dbraw/zinc/77/92/03/590779203.db2.gz INUXSKNTICLPCF-QGZVFWFLSA-N 2 2 329.485 1.726 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)[C@H]2C1 ZINC000892281980 590911978 /nfs/dbraw/zinc/91/19/78/590911978.db2.gz RSTTWTXTKLNLTF-WBVHZDCISA-N 2 2 325.416 1.718 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)[C@H]2C1 ZINC000892281980 590911982 /nfs/dbraw/zinc/91/19/82/590911982.db2.gz RSTTWTXTKLNLTF-WBVHZDCISA-N 2 2 325.416 1.718 20 0 EDADLP O=C1CC(F)(F)CN1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000841678947 591020817 /nfs/dbraw/zinc/02/08/17/591020817.db2.gz HANPMHQHGHRNES-UHFFFAOYSA-N 2 2 331.407 1.246 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892468514 591038722 /nfs/dbraw/zinc/03/87/22/591038722.db2.gz AABNDNYIHMHQNO-LSJNQWAISA-N 2 2 343.475 1.836 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000892483298 591043559 /nfs/dbraw/zinc/04/35/59/591043559.db2.gz MVUIMIWFZAVFKM-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891363408 591060910 /nfs/dbraw/zinc/06/09/10/591060910.db2.gz HOMJQYYHRSHLLK-GFCCVEGCSA-N 2 2 327.379 1.428 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)cc1 ZINC000892565300 591075257 /nfs/dbraw/zinc/07/52/57/591075257.db2.gz HFGPQFXPWARGIU-BZSNNMDCSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)cc1 ZINC000892565300 591075261 /nfs/dbraw/zinc/07/52/61/591075261.db2.gz HFGPQFXPWARGIU-BZSNNMDCSA-N 2 2 346.475 1.232 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC000891462006 591080388 /nfs/dbraw/zinc/08/03/88/591080388.db2.gz PLAOBNLILUMVDZ-PKOBYXMFSA-N 3 2 349.523 1.129 20 0 EDADLP CCn1cc(C[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)nn1 ZINC000892596645 591086872 /nfs/dbraw/zinc/08/68/72/591086872.db2.gz LJZIEKCQTANWFC-UHFFFAOYSA-N 2 2 342.491 1.725 20 0 EDADLP CCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)nn1 ZINC000892596645 591086877 /nfs/dbraw/zinc/08/68/77/591086877.db2.gz LJZIEKCQTANWFC-UHFFFAOYSA-N 2 2 342.491 1.725 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000892615270 591097535 /nfs/dbraw/zinc/09/75/35/591097535.db2.gz PNCYARPNHKOMDL-HKUYNNGSSA-N 2 2 328.460 1.958 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000892615270 591097538 /nfs/dbraw/zinc/09/75/38/591097538.db2.gz PNCYARPNHKOMDL-HKUYNNGSSA-N 2 2 328.460 1.958 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891507313 591100164 /nfs/dbraw/zinc/10/01/64/591100164.db2.gz PQMFLPMEUZURNM-AWEZNQCLSA-N 2 2 326.485 1.175 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891507313 591100168 /nfs/dbraw/zinc/10/01/68/591100168.db2.gz PQMFLPMEUZURNM-AWEZNQCLSA-N 2 2 326.485 1.175 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000891513219 591100319 /nfs/dbraw/zinc/10/03/19/591100319.db2.gz FHQFXCNMZKFFIZ-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000891517836 591102600 /nfs/dbraw/zinc/10/26/00/591102600.db2.gz MGSFOCOLTPIDTC-KKUMJFAQSA-N 2 2 326.485 1.173 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCOC23CCCC3)CC1 ZINC000893867899 591120886 /nfs/dbraw/zinc/12/08/86/591120886.db2.gz UFBYDGPMDXGFDY-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ncccc1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000893867928 591121267 /nfs/dbraw/zinc/12/12/67/591121267.db2.gz UXWYFFDTTQDPNS-UHFFFAOYSA-N 2 2 333.480 1.258 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000891606033 591146952 /nfs/dbraw/zinc/14/69/52/591146952.db2.gz KFDSVHZPRRGPKH-YJBOKZPZSA-N 2 2 343.475 1.477 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000891606033 591146954 /nfs/dbraw/zinc/14/69/54/591146954.db2.gz KFDSVHZPRRGPKH-YJBOKZPZSA-N 2 2 343.475 1.477 20 0 EDADLP Cn1ncc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1C1CC1 ZINC000892749420 591158821 /nfs/dbraw/zinc/15/88/21/591158821.db2.gz AKRIQEYGMBSDGV-UHFFFAOYSA-N 2 2 340.475 1.734 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1 ZINC000894000021 591164007 /nfs/dbraw/zinc/16/40/07/591164007.db2.gz FIRXYQGKSQBBRF-UHFFFAOYSA-N 2 2 339.399 1.994 20 0 EDADLP NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891660674 591172771 /nfs/dbraw/zinc/17/27/71/591172771.db2.gz QBIVSONPZATCDU-MRXNPFEDSA-N 2 2 336.399 1.078 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000891706100 591193725 /nfs/dbraw/zinc/19/37/25/591193725.db2.gz ZALALQVQEWRNEZ-AWEZNQCLSA-N 2 2 328.420 1.408 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000891706100 591193726 /nfs/dbraw/zinc/19/37/26/591193726.db2.gz ZALALQVQEWRNEZ-AWEZNQCLSA-N 2 2 328.420 1.408 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCN(c3cc(C)cc[nH+]3)CC2)nc[nH+]1 ZINC000892944198 591234194 /nfs/dbraw/zinc/23/41/94/591234194.db2.gz GZVZLLVAGLAYFM-OAHLLOKOSA-N 2 2 342.447 1.689 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCN(c3cc(C)cc[nH+]3)CC2)[nH+]cn1 ZINC000892944198 591234197 /nfs/dbraw/zinc/23/41/97/591234197.db2.gz GZVZLLVAGLAYFM-OAHLLOKOSA-N 2 2 342.447 1.689 20 0 EDADLP CCOC(=O)Cn1cc(C[NH2+][C@H]2CC[N@H+](C)C2)c(-c2cccnc2)n1 ZINC000894241913 591242371 /nfs/dbraw/zinc/24/23/71/591242371.db2.gz OUQLJJNHAOAFPT-INIZCTEOSA-N 2 2 343.431 1.302 20 0 EDADLP CCOC(=O)Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)c(-c2cccnc2)n1 ZINC000894241913 591242372 /nfs/dbraw/zinc/24/23/72/591242372.db2.gz OUQLJJNHAOAFPT-INIZCTEOSA-N 2 2 343.431 1.302 20 0 EDADLP COCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000893013982 591254450 /nfs/dbraw/zinc/25/44/50/591254450.db2.gz UKFOVAWJCFYXHT-HNNXBMFYSA-N 2 2 338.448 1.895 20 0 EDADLP COC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000894425652 591308607 /nfs/dbraw/zinc/30/86/07/591308607.db2.gz OKNNNWRBYVQCOV-DDEIOVDASA-N 2 2 337.508 1.865 20 0 EDADLP COC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000894425652 591308609 /nfs/dbraw/zinc/30/86/09/591308609.db2.gz OKNNNWRBYVQCOV-DDEIOVDASA-N 2 2 337.508 1.865 20 0 EDADLP Cn1cncc1C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894532546 591335213 /nfs/dbraw/zinc/33/52/13/591335213.db2.gz RYVDEJIBAKOEKZ-UHFFFAOYSA-N 2 2 337.468 1.499 20 0 EDADLP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894552253 591344123 /nfs/dbraw/zinc/34/41/23/591344123.db2.gz FENLZPAPPXXDLL-KGLIPLIRSA-N 2 2 329.485 1.989 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n[nH]1 ZINC000896132785 591358077 /nfs/dbraw/zinc/35/80/77/591358077.db2.gz LEZCXRULHSFYJU-SWLSCSKDSA-N 2 2 328.420 1.919 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n[nH]1 ZINC000896132785 591358084 /nfs/dbraw/zinc/35/80/84/591358084.db2.gz LEZCXRULHSFYJU-SWLSCSKDSA-N 2 2 328.420 1.919 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)[C@@H](C)CO1 ZINC000898668911 591466921 /nfs/dbraw/zinc/46/69/21/591466921.db2.gz MHPRSJHHSSFRIH-QFHJOOASSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)[C@@H](C)CO1 ZINC000898668911 591466924 /nfs/dbraw/zinc/46/69/24/591466924.db2.gz MHPRSJHHSSFRIH-QFHJOOASSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@@H](C)CO1 ZINC000898668911 591466925 /nfs/dbraw/zinc/46/69/25/591466925.db2.gz MHPRSJHHSSFRIH-QFHJOOASSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@@H](C)CO1 ZINC000898668911 591466934 /nfs/dbraw/zinc/46/69/34/591466934.db2.gz MHPRSJHHSSFRIH-QFHJOOASSA-N 2 2 345.487 1.905 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000896491511 591477718 /nfs/dbraw/zinc/47/77/18/591477718.db2.gz RYEKCDTVWTUVGX-ZDUSSCGKSA-N 2 2 338.521 1.885 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000896491511 591477721 /nfs/dbraw/zinc/47/77/21/591477721.db2.gz RYEKCDTVWTUVGX-ZDUSSCGKSA-N 2 2 338.521 1.885 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NCC[N@H+]2CCC(C)(C)C2)n1 ZINC000896595688 591546132 /nfs/dbraw/zinc/54/61/32/591546132.db2.gz XTUNDPBEAPZFQI-UHFFFAOYSA-N 2 2 339.509 1.736 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000897584076 591568095 /nfs/dbraw/zinc/56/80/95/591568095.db2.gz ZPBYJUQMOGGJRQ-CZUORRHYSA-N 2 2 342.447 1.930 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000897584076 591568099 /nfs/dbraw/zinc/56/80/99/591568099.db2.gz ZPBYJUQMOGGJRQ-CZUORRHYSA-N 2 2 342.447 1.930 20 0 EDADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CO1 ZINC000895125954 591602120 /nfs/dbraw/zinc/60/21/20/591602120.db2.gz WPSHKLDOGUQICF-ZFWWWQNUSA-N 2 2 327.469 1.743 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](Cc2cc3c(cccc3O)s2)CC1=O ZINC000895134005 591608709 /nfs/dbraw/zinc/60/87/09/591608709.db2.gz SPGMGNYGKICSBE-UHFFFAOYSA-N 2 2 333.457 1.813 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](Cc2cc3c(cccc3O)s2)CC1=O ZINC000895134005 591608713 /nfs/dbraw/zinc/60/87/13/591608713.db2.gz SPGMGNYGKICSBE-UHFFFAOYSA-N 2 2 333.457 1.813 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)n[nH]1 ZINC000896884556 591646801 /nfs/dbraw/zinc/64/68/01/591646801.db2.gz MSMXZINRJPPDSR-INIZCTEOSA-N 2 2 328.420 1.919 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)n[nH]1 ZINC000896884556 591646803 /nfs/dbraw/zinc/64/68/03/591646803.db2.gz MSMXZINRJPPDSR-INIZCTEOSA-N 2 2 328.420 1.919 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163797 591712425 /nfs/dbraw/zinc/71/24/25/591712425.db2.gz JQQIFLHDAJJYNF-OAGGEKHMSA-N 2 2 330.432 1.112 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163797 591712429 /nfs/dbraw/zinc/71/24/29/591712429.db2.gz JQQIFLHDAJJYNF-OAGGEKHMSA-N 2 2 330.432 1.112 20 0 EDADLP Cc1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc(C)[nH+]1 ZINC000895412428 591748211 /nfs/dbraw/zinc/74/82/11/591748211.db2.gz VTOPFGAWUFCFAL-IRXDYDNUSA-N 2 2 332.448 1.439 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cn21 ZINC000895533445 591791462 /nfs/dbraw/zinc/79/14/62/591791462.db2.gz IQVCYIMOTHSSAW-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)cn21 ZINC000895535720 591794849 /nfs/dbraw/zinc/79/48/49/591794849.db2.gz RJBQLRJYWJPNAB-BEFAXECRSA-N 2 2 341.459 1.778 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)cn21 ZINC000895535720 591794854 /nfs/dbraw/zinc/79/48/54/591794854.db2.gz RJBQLRJYWJPNAB-BEFAXECRSA-N 2 2 341.459 1.778 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)CC2)c1 ZINC000899972552 591846039 /nfs/dbraw/zinc/84/60/39/591846039.db2.gz NUERFHNCVNJRSI-PKOBYXMFSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)c1 ZINC000899972552 591846044 /nfs/dbraw/zinc/84/60/44/591846044.db2.gz NUERFHNCVNJRSI-PKOBYXMFSA-N 2 2 331.460 1.094 20 0 EDADLP C/C(=C/C(=O)N1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCOCC1 ZINC000900007325 591864750 /nfs/dbraw/zinc/86/47/50/591864750.db2.gz JXOZJMJMAMDPQS-PEZBUJJGSA-N 2 2 330.432 1.009 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)C2=O ZINC000902193507 591941751 /nfs/dbraw/zinc/94/17/51/591941751.db2.gz ARBSGVMTBCRZDT-UJAMICLKSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)C2=O ZINC000902193507 591941752 /nfs/dbraw/zinc/94/17/52/591941752.db2.gz ARBSGVMTBCRZDT-UJAMICLKSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2=O ZINC000902193507 591941753 /nfs/dbraw/zinc/94/17/53/591941753.db2.gz ARBSGVMTBCRZDT-UJAMICLKSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2=O ZINC000902193507 591941754 /nfs/dbraw/zinc/94/17/54/591941754.db2.gz ARBSGVMTBCRZDT-UJAMICLKSA-N 2 2 345.487 1.924 20 0 EDADLP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1=O ZINC000902195660 591942314 /nfs/dbraw/zinc/94/23/14/591942314.db2.gz MYLVLWHFBANHEB-SUMWQHHRSA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1=O ZINC000902195660 591942316 /nfs/dbraw/zinc/94/23/16/591942316.db2.gz MYLVLWHFBANHEB-SUMWQHHRSA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000902195660 591942318 /nfs/dbraw/zinc/94/23/18/591942318.db2.gz MYLVLWHFBANHEB-SUMWQHHRSA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000902195660 591942320 /nfs/dbraw/zinc/94/23/20/591942320.db2.gz MYLVLWHFBANHEB-SUMWQHHRSA-N 2 2 347.459 1.325 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000900216577 591946414 /nfs/dbraw/zinc/94/64/14/591946414.db2.gz WOYLFMPKPJVTOT-PMPSAXMXSA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000900216577 591946417 /nfs/dbraw/zinc/94/64/17/591946417.db2.gz WOYLFMPKPJVTOT-PMPSAXMXSA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000900216577 591946421 /nfs/dbraw/zinc/94/64/21/591946421.db2.gz WOYLFMPKPJVTOT-PMPSAXMXSA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000900216577 591946424 /nfs/dbraw/zinc/94/64/24/591946424.db2.gz WOYLFMPKPJVTOT-PMPSAXMXSA-N 2 2 337.464 1.005 20 0 EDADLP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)Cc2ccc(OC)cc2)CC1 ZINC000902218306 591947320 /nfs/dbraw/zinc/94/73/20/591947320.db2.gz LBZILXAEBCSBCK-UHFFFAOYSA-N 2 2 348.447 1.337 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000899811951 591947547 /nfs/dbraw/zinc/94/75/47/591947547.db2.gz ZYKKGKGCWUEOBM-LSDHHAIUSA-N 2 2 325.416 1.578 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC23CC[NH+](C)CC3)c1 ZINC000899911098 591979339 /nfs/dbraw/zinc/97/93/39/591979339.db2.gz QFHWEEFWTYAXRA-KRWDZBQOSA-N 2 2 332.444 1.799 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)c1 ZINC000899911098 591979342 /nfs/dbraw/zinc/97/93/42/591979342.db2.gz QFHWEEFWTYAXRA-KRWDZBQOSA-N 2 2 332.444 1.799 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899911682 591979765 /nfs/dbraw/zinc/97/97/65/591979765.db2.gz WIQJUZGXQLBFAH-QGZVFWFLSA-N 2 2 332.444 1.799 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899911682 591979767 /nfs/dbraw/zinc/97/97/67/591979767.db2.gz WIQJUZGXQLBFAH-QGZVFWFLSA-N 2 2 332.444 1.799 20 0 EDADLP c1ccc(CSc2cncc(N3CC[NH2+]CC[NH2+]CC3)n2)cc1 ZINC000900369782 591998630 /nfs/dbraw/zinc/99/86/30/591998630.db2.gz LODQMHPMDHDABY-UHFFFAOYSA-N 2 2 329.473 1.768 20 0 EDADLP C/C(=C\C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)C[NH+]1CCOCC1 ZINC000900379161 592001529 /nfs/dbraw/zinc/00/15/29/592001529.db2.gz HHPKLFAHYJTSHF-GHRIWEEISA-N 2 2 337.508 1.844 20 0 EDADLP C/C(=C\C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)C[NH+]1CCOCC1 ZINC000900379161 592001532 /nfs/dbraw/zinc/00/15/32/592001532.db2.gz HHPKLFAHYJTSHF-GHRIWEEISA-N 2 2 337.508 1.844 20 0 EDADLP CNc1ccc(C)cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000902619278 592028197 /nfs/dbraw/zinc/02/81/97/592028197.db2.gz QAXFYVAAVUMADJ-CRAIPNDOSA-N 2 2 327.432 1.880 20 0 EDADLP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)Cc2ccccc2F)CC1 ZINC000902623030 592028566 /nfs/dbraw/zinc/02/85/66/592028566.db2.gz MINDESQBGHVCLC-UHFFFAOYSA-N 2 2 336.411 1.467 20 0 EDADLP C[NH+]1CCN(C[C@H](NC(=O)Cc2c[nH]c[nH+]2)c2ccccc2)CC1 ZINC000900541254 592051489 /nfs/dbraw/zinc/05/14/89/592051489.db2.gz CBVBFTYIGOOYQA-KRWDZBQOSA-N 2 2 327.432 1.057 20 0 EDADLP CCCn1cc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)nn1 ZINC000902751382 592057350 /nfs/dbraw/zinc/05/73/50/592057350.db2.gz UJPZAXUYESGLDG-OAHLLOKOSA-N 2 2 343.479 1.686 20 0 EDADLP O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000900605149 592067189 /nfs/dbraw/zinc/06/71/89/592067189.db2.gz VVKGTSHEAUMINX-SFHVURJKSA-N 2 2 339.443 1.915 20 0 EDADLP O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000900605149 592067192 /nfs/dbraw/zinc/06/71/92/592067192.db2.gz VVKGTSHEAUMINX-SFHVURJKSA-N 2 2 339.443 1.915 20 0 EDADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cn(C)nn1 ZINC000902916667 592081103 /nfs/dbraw/zinc/08/11/03/592081103.db2.gz ZIPHGSLIGSNOES-CYBMUJFWSA-N 2 2 329.452 1.914 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027611 592108231 /nfs/dbraw/zinc/10/82/31/592108231.db2.gz VBHHTSOQIMPNRM-ZWKOTPCHSA-N 2 2 341.459 1.456 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027611 592108233 /nfs/dbraw/zinc/10/82/33/592108233.db2.gz VBHHTSOQIMPNRM-ZWKOTPCHSA-N 2 2 341.459 1.456 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027611 592108235 /nfs/dbraw/zinc/10/82/35/592108235.db2.gz VBHHTSOQIMPNRM-ZWKOTPCHSA-N 2 2 341.459 1.456 20 0 EDADLP C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000903082758 592117135 /nfs/dbraw/zinc/11/71/35/592117135.db2.gz WGZUMRDAXLTQGX-KBXCAEBGSA-N 2 2 342.399 1.744 20 0 EDADLP C/C(=C\C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900784156 592123046 /nfs/dbraw/zinc/12/30/46/592123046.db2.gz QPFGHTOFDHCCKW-ODECOBMASA-N 2 2 335.492 1.742 20 0 EDADLP C[C@@H](C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C[NH+](C)C ZINC000903175204 592130833 /nfs/dbraw/zinc/13/08/33/592130833.db2.gz RLSZYJODNFRGNK-HNNXBMFYSA-N 3 2 342.528 1.763 20 0 EDADLP C[NH+](C)Cc1csc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000903219462 592141810 /nfs/dbraw/zinc/14/18/10/592141810.db2.gz IKOFPAIMZWAXGP-MRXNPFEDSA-N 2 2 338.521 1.938 20 0 EDADLP COc1cccc(C(=O)N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1OC ZINC000903433052 592169042 /nfs/dbraw/zinc/16/90/42/592169042.db2.gz SFPOUPDEYXUQEG-CABCVRRESA-N 2 2 347.459 1.317 20 0 EDADLP CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccc(N)nn2)[C@H]1c1cnn(C)c1 ZINC000904377817 592244833 /nfs/dbraw/zinc/24/48/33/592244833.db2.gz ZEOMHRSRRYGAOD-KDOFPFPSSA-N 2 2 343.479 1.697 20 0 EDADLP CC[N@H+]1CCC[C@H](C[NH+](C)Cc2ccc(N)nn2)[C@H]1c1cnn(C)c1 ZINC000904377817 592244838 /nfs/dbraw/zinc/24/48/38/592244838.db2.gz ZEOMHRSRRYGAOD-KDOFPFPSSA-N 2 2 343.479 1.697 20 0 EDADLP CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2ccc(N)nn2)[C@H]1c1cnn(C)c1 ZINC000904377817 592244845 /nfs/dbraw/zinc/24/48/45/592244845.db2.gz ZEOMHRSRRYGAOD-KDOFPFPSSA-N 2 2 343.479 1.697 20 0 EDADLP C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907993137 592253386 /nfs/dbraw/zinc/25/33/86/592253386.db2.gz OIRMDJKGLIFLBU-INIZCTEOSA-N 2 2 336.480 1.672 20 0 EDADLP CC[N@H+](CCNC(=O)c1cccn1CC[NH+]1CCOCC1)C(C)C ZINC000906682705 592264043 /nfs/dbraw/zinc/26/40/43/592264043.db2.gz RRDITPJNYAKYIS-UHFFFAOYSA-N 2 2 336.480 1.280 20 0 EDADLP CC[N@@H+](CCNC(=O)c1cccn1CC[NH+]1CCOCC1)C(C)C ZINC000906682705 592264046 /nfs/dbraw/zinc/26/40/46/592264046.db2.gz RRDITPJNYAKYIS-UHFFFAOYSA-N 2 2 336.480 1.280 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC(C(C)(C)C[NH3+])CC2)c(C)[nH+]1 ZINC000906688256 592267343 /nfs/dbraw/zinc/26/73/43/592267343.db2.gz FMNXWFHAXMPMDW-UHFFFAOYSA-N 2 2 332.448 1.860 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000906705946 592278619 /nfs/dbraw/zinc/27/86/19/592278619.db2.gz OLZIVJWRUIEKSW-CQSZACIVSA-N 2 2 341.415 1.140 20 0 EDADLP CCO[C@@H]1C[NH2+][C@H](c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)C1 ZINC000904529376 592280131 /nfs/dbraw/zinc/28/01/31/592280131.db2.gz GSNCGQOMXUGRKA-STQMWFEESA-N 2 2 326.360 1.757 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000906715855 592285638 /nfs/dbraw/zinc/28/56/38/592285638.db2.gz BYZULPGGNYDQLY-RRFJBIMHSA-N 2 2 339.399 1.035 20 0 EDADLP Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756795 592314153 /nfs/dbraw/zinc/31/41/53/592314153.db2.gz VXIZXKCMAVTPAM-AEFFLSMTSA-N 2 2 343.471 1.627 20 0 EDADLP Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756795 592314158 /nfs/dbraw/zinc/31/41/58/592314158.db2.gz VXIZXKCMAVTPAM-AEFFLSMTSA-N 2 2 343.471 1.627 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCCN1C(=O)c2ccccc2C1=O ZINC000903794735 592317041 /nfs/dbraw/zinc/31/70/41/592317041.db2.gz CWAQEEWAZQBCRQ-AUUYWEPGSA-N 2 2 327.428 1.876 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCCN1C(=O)c2ccccc2C1=O ZINC000903794735 592317048 /nfs/dbraw/zinc/31/70/48/592317048.db2.gz CWAQEEWAZQBCRQ-AUUYWEPGSA-N 2 2 327.428 1.876 20 0 EDADLP Oc1ccccc1N1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903873379 592354981 /nfs/dbraw/zinc/35/49/81/592354981.db2.gz PMVLMLYGWSHHKS-HNNXBMFYSA-N 2 2 342.447 1.230 20 0 EDADLP Cc1cccc(N2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903878845 592359593 /nfs/dbraw/zinc/35/95/93/592359593.db2.gz LJIOUIBSXHUGSD-GOSISDBHSA-N 2 2 340.475 1.833 20 0 EDADLP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000906841502 592365664 /nfs/dbraw/zinc/36/56/64/592365664.db2.gz MAQXUFKWKVRNLY-DLBZAZTESA-N 2 2 337.508 1.820 20 0 EDADLP COC(=O)CC1CC(Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000905012898 592367871 /nfs/dbraw/zinc/36/78/71/592367871.db2.gz GCVBNHNZQMAPBA-UHFFFAOYSA-N 2 2 338.371 1.964 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000903898098 592368663 /nfs/dbraw/zinc/36/86/63/592368663.db2.gz IWXKYZQRUBZNLX-KVSKMBFKSA-N 3 2 344.507 1.651 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000903898098 592368668 /nfs/dbraw/zinc/36/86/68/592368668.db2.gz IWXKYZQRUBZNLX-KVSKMBFKSA-N 3 2 344.507 1.651 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000903898098 592368674 /nfs/dbraw/zinc/36/86/74/592368674.db2.gz IWXKYZQRUBZNLX-KVSKMBFKSA-N 3 2 344.507 1.651 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000903898098 592368679 /nfs/dbraw/zinc/36/86/79/592368679.db2.gz IWXKYZQRUBZNLX-KVSKMBFKSA-N 3 2 344.507 1.651 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905033892 592371545 /nfs/dbraw/zinc/37/15/45/592371545.db2.gz GASZWQISJGLRRS-QYZOEREBSA-N 2 2 334.460 1.143 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905033892 592371549 /nfs/dbraw/zinc/37/15/49/592371549.db2.gz GASZWQISJGLRRS-QYZOEREBSA-N 2 2 334.460 1.143 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000906881446 592381873 /nfs/dbraw/zinc/38/18/73/592381873.db2.gz VSTWKGGPISYEKC-AWEZNQCLSA-N 2 2 338.452 1.357 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000906881446 592381877 /nfs/dbraw/zinc/38/18/77/592381877.db2.gz VSTWKGGPISYEKC-AWEZNQCLSA-N 2 2 338.452 1.357 20 0 EDADLP CCC[NH+](CC)CCNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000906881446 592381882 /nfs/dbraw/zinc/38/18/82/592381882.db2.gz VSTWKGGPISYEKC-AWEZNQCLSA-N 2 2 338.452 1.357 20 0 EDADLP CCC[NH+](CC)CCNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000906881446 592381888 /nfs/dbraw/zinc/38/18/88/592381888.db2.gz VSTWKGGPISYEKC-AWEZNQCLSA-N 2 2 338.452 1.357 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000903937841 592387872 /nfs/dbraw/zinc/38/78/72/592387872.db2.gz SKPVQGLFULQLHB-DOTOQJQBSA-N 3 2 341.463 1.308 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000903937841 592387875 /nfs/dbraw/zinc/38/78/75/592387875.db2.gz SKPVQGLFULQLHB-DOTOQJQBSA-N 3 2 341.463 1.308 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957317 592390828 /nfs/dbraw/zinc/39/08/28/592390828.db2.gz PTLLJVVNGAEJFC-LBPRGKRZSA-N 2 2 329.439 1.944 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000905151901 592441187 /nfs/dbraw/zinc/44/11/87/592441187.db2.gz PMBGUCSHGXKUCG-GDBMZVCRSA-N 2 2 330.436 1.659 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905178735 592441377 /nfs/dbraw/zinc/44/13/77/592441377.db2.gz CZBUNODJKFVOHU-QAPCUYQASA-N 2 2 349.475 1.099 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905179977 592442074 /nfs/dbraw/zinc/44/20/74/592442074.db2.gz MTKSGXZPJQRMHS-AYOQOUSVSA-N 2 2 349.475 1.099 20 0 EDADLP CC(C)N1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901728150 592446046 /nfs/dbraw/zinc/44/60/46/592446046.db2.gz LJHVTFGGYXCBEF-GHMZBOCLSA-N 2 2 341.253 1.559 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CC[C@@]4(CC[NH+](C)C4)C3)co2)C1 ZINC000908362004 592465695 /nfs/dbraw/zinc/46/56/95/592465695.db2.gz GGKUGWIAXUZUFY-KBXCAEBGSA-N 2 2 348.447 1.063 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CC[C@@]4(CC[NH+](C)C4)C3)co2)C1 ZINC000908362004 592465697 /nfs/dbraw/zinc/46/56/97/592465697.db2.gz GGKUGWIAXUZUFY-KBXCAEBGSA-N 2 2 348.447 1.063 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)co2)C1 ZINC000908362004 592465704 /nfs/dbraw/zinc/46/57/04/592465704.db2.gz GGKUGWIAXUZUFY-KBXCAEBGSA-N 2 2 348.447 1.063 20 0 EDADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@H](O)C3(O)CCC3)cc2)CC1 ZINC000905330024 592507518 /nfs/dbraw/zinc/50/75/18/592507518.db2.gz OEXCLBHBEAAVHI-SFHVURJKSA-N 2 2 333.476 1.905 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908594394 592547563 /nfs/dbraw/zinc/54/75/63/592547563.db2.gz UMEMEZMXPVYIPQ-UHFFFAOYSA-N 2 2 344.459 1.696 20 0 EDADLP C[N@H+](CCO)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000905489476 592551312 /nfs/dbraw/zinc/55/13/12/592551312.db2.gz JOZNIYYVDJRILS-NSHDSACASA-N 2 2 337.247 1.247 20 0 EDADLP C[N@@H+](CCO)CC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000905489476 592551313 /nfs/dbraw/zinc/55/13/13/592551313.db2.gz JOZNIYYVDJRILS-NSHDSACASA-N 2 2 337.247 1.247 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)CC2(CO)CCCC2)n1 ZINC000905532845 592564003 /nfs/dbraw/zinc/56/40/03/592564003.db2.gz LOCIDJJBGKLCOQ-AWEZNQCLSA-N 2 2 327.494 1.598 20 0 EDADLP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cccnc1 ZINC000905554734 592564877 /nfs/dbraw/zinc/56/48/77/592564877.db2.gz ZGXUOJOAQWTQHS-WMZOPIPTSA-N 2 2 337.464 1.221 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@H]3CNC(=O)C3)c2cc1C ZINC000905585634 592582229 /nfs/dbraw/zinc/58/22/29/592582229.db2.gz LEWKNQITXHPGIO-CABCVRRESA-N 2 2 330.432 1.130 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(CCO)cc1 ZINC000905690592 592605537 /nfs/dbraw/zinc/60/55/37/592605537.db2.gz GVGGOPNCIZLXSH-FQEVSTJZSA-N 2 2 328.456 1.804 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(CCO)cc1 ZINC000905690592 592605539 /nfs/dbraw/zinc/60/55/39/592605539.db2.gz GVGGOPNCIZLXSH-FQEVSTJZSA-N 2 2 328.456 1.804 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905925578 592684879 /nfs/dbraw/zinc/68/48/79/592684879.db2.gz USOKTWUAQKQDGC-RDTXWAMCSA-N 2 2 333.432 1.091 20 0 EDADLP C/C(=C\C(=O)NCc1ccc(CC[NH+](C)C)cc1)C[NH+]1CCOCC1 ZINC000907636125 592735477 /nfs/dbraw/zinc/73/54/77/592735477.db2.gz QPJLEBKEIJMTND-SAPNQHFASA-N 2 2 345.487 1.685 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)co2)C1 ZINC000906201177 592758391 /nfs/dbraw/zinc/75/83/91/592758391.db2.gz XCYUKGFIHAYRLP-OFQRWUPVSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)co2)C1 ZINC000906201177 592758393 /nfs/dbraw/zinc/75/83/93/592758393.db2.gz XCYUKGFIHAYRLP-OFQRWUPVSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)co2)C1 ZINC000906201177 592758394 /nfs/dbraw/zinc/75/83/94/592758394.db2.gz XCYUKGFIHAYRLP-OFQRWUPVSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)co2)C1 ZINC000906201177 592758396 /nfs/dbraw/zinc/75/83/96/592758396.db2.gz XCYUKGFIHAYRLP-OFQRWUPVSA-N 2 2 348.447 1.252 20 0 EDADLP CN(CCC[N@H+](C)Cc1cn(-c2ccccc2F)nn1)CC[NH+](C)C ZINC000906308677 592790981 /nfs/dbraw/zinc/79/09/81/592790981.db2.gz ZSMRJKDJAXMJOD-UHFFFAOYSA-N 2 2 348.470 1.722 20 0 EDADLP CN(CCC[N@@H+](C)Cc1cn(-c2ccccc2F)nn1)CC[NH+](C)C ZINC000906308677 592790982 /nfs/dbraw/zinc/79/09/82/592790982.db2.gz ZSMRJKDJAXMJOD-UHFFFAOYSA-N 2 2 348.470 1.722 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C[N@@H+](C)C(C)C)ccc2n1C(CO)CO ZINC000909297114 592793795 /nfs/dbraw/zinc/79/37/95/592793795.db2.gz WSPGUPBHERQLAY-UHFFFAOYSA-N 2 2 334.420 1.149 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C[N@H+](C)C(C)C)ccc2n1C(CO)CO ZINC000909297114 592793796 /nfs/dbraw/zinc/79/37/96/592793796.db2.gz WSPGUPBHERQLAY-UHFFFAOYSA-N 2 2 334.420 1.149 20 0 EDADLP CC(C)(C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+]1CCCCC1 ZINC000906554552 592850321 /nfs/dbraw/zinc/85/03/21/592850321.db2.gz FHBLBMHFOAWEMV-UHFFFAOYSA-N 2 2 349.479 1.418 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911574115 592952150 /nfs/dbraw/zinc/95/21/50/592952150.db2.gz AEAOOMZSFJVTPR-CQSZACIVSA-N 2 2 345.447 1.091 20 0 EDADLP Cc1ccc(NC(=O)C[NH2+]CC[NH3+])cc1I ZINC000911992090 593046827 /nfs/dbraw/zinc/04/68/27/593046827.db2.gz RRSIIBYHIHJCPD-UHFFFAOYSA-N 2 2 333.173 1.086 20 0 EDADLP C[C@@H](NC(=O)C[NH2+]CC[NH3+])c1cccc(NC(=O)c2ccccc2)c1 ZINC000912300446 593084281 /nfs/dbraw/zinc/08/42/81/593084281.db2.gz UNDHWPIYVQMPHL-CQSZACIVSA-N 2 2 340.427 1.664 20 0 EDADLP CCC[C@@]1(C2CC2)NC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000802734840 593274455 /nfs/dbraw/zinc/27/44/55/593274455.db2.gz VHBISQPVGQMXGH-KRWDZBQOSA-N 2 2 333.436 1.663 20 0 EDADLP CCC[C@@]1(C2CC2)NC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000802734840 593274457 /nfs/dbraw/zinc/27/44/57/593274457.db2.gz VHBISQPVGQMXGH-KRWDZBQOSA-N 2 2 333.436 1.663 20 0 EDADLP O=C1N(Cc2cccnc2)CCN1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000840005001 593340633 /nfs/dbraw/zinc/34/06/33/593340633.db2.gz UBFJYNOIPXFLNX-QGZVFWFLSA-N 2 2 340.431 1.810 20 0 EDADLP O=C1N(Cc2cccnc2)CCN1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000840005001 593340635 /nfs/dbraw/zinc/34/06/35/593340635.db2.gz UBFJYNOIPXFLNX-QGZVFWFLSA-N 2 2 340.431 1.810 20 0 EDADLP Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809592840 593348766 /nfs/dbraw/zinc/34/87/66/593348766.db2.gz JNURXTDVTFMDCP-XJKSGUPXSA-N 2 2 349.504 1.884 20 0 EDADLP Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809592840 593348768 /nfs/dbraw/zinc/34/87/68/593348768.db2.gz JNURXTDVTFMDCP-XJKSGUPXSA-N 2 2 349.504 1.884 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CN3C[C@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000840029594 593393568 /nfs/dbraw/zinc/39/35/68/593393568.db2.gz FUKWGRAWIQUUDW-IEBWSBKVSA-N 2 2 348.535 1.693 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(CN3C[C@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000840029594 593393570 /nfs/dbraw/zinc/39/35/70/593393570.db2.gz FUKWGRAWIQUUDW-IEBWSBKVSA-N 2 2 348.535 1.693 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CN3C[C@@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000840029599 593393808 /nfs/dbraw/zinc/39/38/08/593393808.db2.gz FUKWGRAWIQUUDW-PKOBYXMFSA-N 2 2 348.535 1.693 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(CN3C[C@@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000840029599 593393810 /nfs/dbraw/zinc/39/38/10/593393810.db2.gz FUKWGRAWIQUUDW-PKOBYXMFSA-N 2 2 348.535 1.693 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=S)NCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000758272344 593399186 /nfs/dbraw/zinc/39/91/86/593399186.db2.gz IWXUNNHZCOYMKB-DLBZAZTESA-N 2 2 348.516 1.228 20 0 EDADLP C[N@H+]1CC[C@H](NC(=S)NCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000758272344 593399190 /nfs/dbraw/zinc/39/91/90/593399190.db2.gz IWXUNNHZCOYMKB-DLBZAZTESA-N 2 2 348.516 1.228 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3C(=O)CCC3(C)C)CC2)CC1 ZINC000817373926 593597951 /nfs/dbraw/zinc/59/79/51/593597951.db2.gz TYVSRSHQRYVIAW-UHFFFAOYSA-N 2 2 336.524 1.837 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3C(=O)CCC3(C)C)CC2)CC1 ZINC000817373926 593597952 /nfs/dbraw/zinc/59/79/52/593597952.db2.gz TYVSRSHQRYVIAW-UHFFFAOYSA-N 2 2 336.524 1.837 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C(=O)CCC3(C)C)CC2)CC1 ZINC000817373926 593597953 /nfs/dbraw/zinc/59/79/53/593597953.db2.gz TYVSRSHQRYVIAW-UHFFFAOYSA-N 2 2 336.524 1.837 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C(=O)CCC3(C)C)CC2)CC1 ZINC000817373926 593597954 /nfs/dbraw/zinc/59/79/54/593597954.db2.gz TYVSRSHQRYVIAW-UHFFFAOYSA-N 2 2 336.524 1.837 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000817896588 593646779 /nfs/dbraw/zinc/64/67/79/593646779.db2.gz LLJZNGIUKCBTOI-SWHYSGLUSA-N 2 2 326.824 1.875 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817982948 593653385 /nfs/dbraw/zinc/65/33/85/593653385.db2.gz WROIGMQFWITUSW-YPMHNXCESA-N 2 2 348.415 1.712 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1cccc2[nH]ccc21 ZINC000818986279 593732443 /nfs/dbraw/zinc/73/24/43/593732443.db2.gz KAIBRZVNZJDOEP-BZUAXINKSA-N 2 2 345.443 1.360 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1cccc2[nH]ccc21 ZINC000818986279 593732444 /nfs/dbraw/zinc/73/24/44/593732444.db2.gz KAIBRZVNZJDOEP-BZUAXINKSA-N 2 2 345.443 1.360 20 0 EDADLP C[NH+]1CCC(CNC(=O)/C=C\[C@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000819316186 593750387 /nfs/dbraw/zinc/75/03/87/593750387.db2.gz FVRBDIFDXUCBQI-ZPUOCTKUSA-N 2 2 335.492 1.788 20 0 EDADLP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680865 593832788 /nfs/dbraw/zinc/83/27/88/593832788.db2.gz BATKGJHJXPDCMQ-GJZGRUSLSA-N 2 2 339.403 1.503 20 0 EDADLP O[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823680865 593832790 /nfs/dbraw/zinc/83/27/90/593832790.db2.gz BATKGJHJXPDCMQ-GJZGRUSLSA-N 2 2 339.403 1.503 20 0 EDADLP COc1c(F)cc(F)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000821875359 593958717 /nfs/dbraw/zinc/95/87/17/593958717.db2.gz YJHBKCJUDSJVFD-UHFFFAOYSA-N 2 2 344.406 1.978 20 0 EDADLP COc1c(F)cc(F)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000821875359 593958718 /nfs/dbraw/zinc/95/87/18/593958718.db2.gz YJHBKCJUDSJVFD-UHFFFAOYSA-N 2 2 344.406 1.978 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262232 593970378 /nfs/dbraw/zinc/97/03/78/593970378.db2.gz YLPRWGFDGTVVKP-MRXNPFEDSA-N 2 2 330.436 1.313 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262232 593970379 /nfs/dbraw/zinc/97/03/79/593970379.db2.gz YLPRWGFDGTVVKP-MRXNPFEDSA-N 2 2 330.436 1.313 20 0 EDADLP COC(=O)Cn1cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000824383694 593999315 /nfs/dbraw/zinc/99/93/15/593999315.db2.gz SHRKGTGTINDITK-UHFFFAOYSA-N 2 2 331.420 1.145 20 0 EDADLP COC(=O)Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000824383694 593999316 /nfs/dbraw/zinc/99/93/16/593999316.db2.gz SHRKGTGTINDITK-UHFFFAOYSA-N 2 2 331.420 1.145 20 0 EDADLP COC(OC)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000821306130 594011368 /nfs/dbraw/zinc/01/13/68/594011368.db2.gz FZPNLTDWRBXOAM-HOTGVXAUSA-N 2 2 341.496 1.401 20 0 EDADLP COC(OC)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000821306130 594011369 /nfs/dbraw/zinc/01/13/69/594011369.db2.gz FZPNLTDWRBXOAM-HOTGVXAUSA-N 2 2 341.496 1.401 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824572466 594040738 /nfs/dbraw/zinc/04/07/38/594040738.db2.gz VSGFADKJOKTDLW-AAEUAGOBSA-N 2 2 334.399 1.113 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584587 594042443 /nfs/dbraw/zinc/04/24/43/594042443.db2.gz CIAFKAKHRBIEJY-APHBMKBZSA-N 2 2 328.420 1.381 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584587 594042445 /nfs/dbraw/zinc/04/24/45/594042445.db2.gz CIAFKAKHRBIEJY-APHBMKBZSA-N 2 2 328.420 1.381 20 0 EDADLP COC(=O)C[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000822909702 594120613 /nfs/dbraw/zinc/12/06/13/594120613.db2.gz DEOJMBRMAMFHPQ-AWEZNQCLSA-N 2 2 346.387 1.132 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3noc(C[C@@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000822951096 594127380 /nfs/dbraw/zinc/12/73/80/594127380.db2.gz KFGDDAGLQOYXSA-HOTGVXAUSA-N 2 2 328.416 1.795 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3noc(C[C@@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000822951096 594127381 /nfs/dbraw/zinc/12/73/81/594127381.db2.gz KFGDDAGLQOYXSA-HOTGVXAUSA-N 2 2 328.416 1.795 20 0 EDADLP CCc1[nH+]c2ccccc2n1Cc1noc([C@@H]([NH3+])CCC(=O)OC)n1 ZINC000823012271 594136755 /nfs/dbraw/zinc/13/67/55/594136755.db2.gz SGGQVABYSRGDJN-NSHDSACASA-N 2 2 343.387 1.983 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC[NH2+]1 ZINC000825174733 594142079 /nfs/dbraw/zinc/14/20/79/594142079.db2.gz PYIDGRQRJQQMME-WBVHZDCISA-N 2 2 333.501 1.905 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000823508542 594211921 /nfs/dbraw/zinc/21/19/21/594211921.db2.gz KOKHEFJALHIJGE-UHFFFAOYSA-N 2 2 334.342 1.065 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000827884614 594297246 /nfs/dbraw/zinc/29/72/46/594297246.db2.gz DUJXSNPQGASXRQ-UHFFFAOYSA-N 2 2 349.479 1.847 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000826364001 594446263 /nfs/dbraw/zinc/44/62/63/594446263.db2.gz HSGKOCYGAYXHGG-NSHDSACASA-N 2 2 327.367 1.729 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC000826364001 594446264 /nfs/dbraw/zinc/44/62/64/594446264.db2.gz HSGKOCYGAYXHGG-NSHDSACASA-N 2 2 327.367 1.729 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1[nH+]ccn1C ZINC000831002988 594536270 /nfs/dbraw/zinc/53/62/70/594536270.db2.gz RAMFOMLWKORLMK-CRAIPNDOSA-N 2 2 343.431 1.569 20 0 EDADLP C[NH+]1CCC(OCC(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)CC1 ZINC000828981337 594542274 /nfs/dbraw/zinc/54/22/74/594542274.db2.gz ZWZPHGYMFGYCMG-KRWDZBQOSA-N 2 2 335.423 1.409 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000841671263 594933601 /nfs/dbraw/zinc/93/36/01/594933601.db2.gz XQHOQPAKPIAKIL-SWLSCSKDSA-N 2 2 331.420 1.555 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C1CCCC1 ZINC000841672606 594933604 /nfs/dbraw/zinc/93/36/04/594933604.db2.gz KAZLZNWOEMZBME-HNNXBMFYSA-N 2 2 328.420 1.584 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000836229515 594940273 /nfs/dbraw/zinc/94/02/73/594940273.db2.gz KRJROGQHQXKDDL-UHFFFAOYSA-N 2 2 342.447 1.977 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1(C)C ZINC000836285118 594947156 /nfs/dbraw/zinc/94/71/56/594947156.db2.gz XLMZGWFFRASQGC-ILXRZTDVSA-N 2 2 347.463 1.376 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1(C)C ZINC000836285118 594947157 /nfs/dbraw/zinc/94/71/57/594947157.db2.gz XLMZGWFFRASQGC-ILXRZTDVSA-N 2 2 347.463 1.376 20 0 EDADLP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1CSC[NH2+]1 ZINC000841847300 594964878 /nfs/dbraw/zinc/96/48/78/594964878.db2.gz KOVKIBOUSSWMBY-AWEZNQCLSA-N 2 2 335.429 1.196 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c43)CC2)c1 ZINC000836516642 594970845 /nfs/dbraw/zinc/97/08/45/594970845.db2.gz LKUQILDRGGXBDG-CQSZACIVSA-N 2 2 342.403 1.263 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)NCC1C[NH2+]C1 ZINC000841964636 594990777 /nfs/dbraw/zinc/99/07/77/594990777.db2.gz KDNYVEDVCAJORQ-UHFFFAOYSA-N 2 2 326.485 1.130 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1[NH3+] ZINC000843377080 595093815 /nfs/dbraw/zinc/09/38/15/595093815.db2.gz JCOVVWYVESKQER-NQBHXWOUSA-N 2 2 331.420 1.655 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1[NH3+] ZINC000843377080 595093818 /nfs/dbraw/zinc/09/38/18/595093818.db2.gz JCOVVWYVESKQER-NQBHXWOUSA-N 2 2 331.420 1.655 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc2)C[C@H](C)O1 ZINC000844220194 595305609 /nfs/dbraw/zinc/30/56/09/595305609.db2.gz USOZRDRZIKJANO-GASCZTMLSA-N 2 2 334.464 1.519 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc2)C[C@H](C)O1 ZINC000844220194 595305610 /nfs/dbraw/zinc/30/56/10/595305610.db2.gz USOZRDRZIKJANO-GASCZTMLSA-N 2 2 334.464 1.519 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000844225314 595309377 /nfs/dbraw/zinc/30/93/77/595309377.db2.gz MYNIKIOYOXGTCU-DOMZBBRYSA-N 2 2 338.839 1.502 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844295171 595318701 /nfs/dbraw/zinc/31/87/01/595318701.db2.gz PYVMSGMTTUWGRN-SJORKVTESA-N 2 2 336.480 1.072 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844295171 595318705 /nfs/dbraw/zinc/31/87/05/595318705.db2.gz PYVMSGMTTUWGRN-SJORKVTESA-N 2 2 336.480 1.072 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851681 595326712 /nfs/dbraw/zinc/32/67/12/595326712.db2.gz TXQPHOYEAFKTTB-IUODEOHRSA-N 2 2 329.466 1.021 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851681 595326715 /nfs/dbraw/zinc/32/67/15/595326715.db2.gz TXQPHOYEAFKTTB-IUODEOHRSA-N 2 2 329.466 1.021 20 0 EDADLP C[NH2+][C@@H](C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000848625113 595418947 /nfs/dbraw/zinc/41/89/47/595418947.db2.gz PZYBWNYKICAACH-LBPRGKRZSA-N 2 2 329.404 1.405 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3noc(CC[NH2+]C4CC4)n3)C2)cc1 ZINC000848625518 595419066 /nfs/dbraw/zinc/41/90/66/595419066.db2.gz JVUKZEWRBVBUNT-INIZCTEOSA-N 2 2 328.416 1.938 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3noc(CC[NH2+]C4CC4)n3)C2)cc1 ZINC000848625518 595419068 /nfs/dbraw/zinc/41/90/68/595419068.db2.gz JVUKZEWRBVBUNT-INIZCTEOSA-N 2 2 328.416 1.938 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000848649866 595422531 /nfs/dbraw/zinc/42/25/31/595422531.db2.gz KHHFAPDHBGCXJH-UHFFFAOYSA-N 2 2 342.553 1.389 20 0 EDADLP COC(=O)/C=C/c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000848910271 595466216 /nfs/dbraw/zinc/46/62/16/595466216.db2.gz HNQMTDZMHIBKRS-BQYQJAHWSA-N 2 2 349.475 1.924 20 0 EDADLP COC(=O)/C=C/c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000848910271 595466217 /nfs/dbraw/zinc/46/62/17/595466217.db2.gz HNQMTDZMHIBKRS-BQYQJAHWSA-N 2 2 349.475 1.924 20 0 EDADLP COC(=O)/C=C/c1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000848910271 595466220 /nfs/dbraw/zinc/46/62/20/595466220.db2.gz HNQMTDZMHIBKRS-BQYQJAHWSA-N 2 2 349.475 1.924 20 0 EDADLP COC(=O)/C=C/c1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000848910271 595466221 /nfs/dbraw/zinc/46/62/21/595466221.db2.gz HNQMTDZMHIBKRS-BQYQJAHWSA-N 2 2 349.475 1.924 20 0 EDADLP CCC(CC)[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC000849093517 595480342 /nfs/dbraw/zinc/48/03/42/595480342.db2.gz XFQJHZIBABYIDO-HOCLYGCPSA-N 2 2 326.485 1.368 20 0 EDADLP [NH2+]=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC1CCC1 ZINC000849110841 595483711 /nfs/dbraw/zinc/48/37/11/595483711.db2.gz CGZYXKPJUCSQCU-UHFFFAOYSA-N 2 2 332.448 1.564 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000849280358 595500373 /nfs/dbraw/zinc/50/03/73/595500373.db2.gz CWXYDUIYEVBIFV-SOUVJXGZSA-N 2 2 328.526 1.044 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000849280358 595500374 /nfs/dbraw/zinc/50/03/74/595500374.db2.gz CWXYDUIYEVBIFV-SOUVJXGZSA-N 2 2 328.526 1.044 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=S)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000849280358 595500375 /nfs/dbraw/zinc/50/03/75/595500375.db2.gz CWXYDUIYEVBIFV-SOUVJXGZSA-N 2 2 328.526 1.044 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=S)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000849280358 595500376 /nfs/dbraw/zinc/50/03/76/595500376.db2.gz CWXYDUIYEVBIFV-SOUVJXGZSA-N 2 2 328.526 1.044 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000850518165 595527265 /nfs/dbraw/zinc/52/72/65/595527265.db2.gz MMVCELYNGKPKKE-SDDRHHMPSA-N 2 2 328.400 1.426 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000850518165 595527268 /nfs/dbraw/zinc/52/72/68/595527268.db2.gz MMVCELYNGKPKKE-SDDRHHMPSA-N 2 2 328.400 1.426 20 0 EDADLP CCc1c[nH+]ccc1NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849548095 595562206 /nfs/dbraw/zinc/56/22/06/595562206.db2.gz LRPJMDXJRQNGIA-JKSUJKDBSA-N 2 2 327.432 1.473 20 0 EDADLP CCc1c[nH+]ccc1NC(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849548095 595562209 /nfs/dbraw/zinc/56/22/09/595562209.db2.gz LRPJMDXJRQNGIA-JKSUJKDBSA-N 2 2 327.432 1.473 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852859559 595581115 /nfs/dbraw/zinc/58/11/15/595581115.db2.gz WWKKNPLBGHQFMP-VNHYZAJKSA-N 2 2 346.431 1.338 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2=NO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852859559 595581118 /nfs/dbraw/zinc/58/11/18/595581118.db2.gz WWKKNPLBGHQFMP-VNHYZAJKSA-N 2 2 346.431 1.338 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860133552 595591808 /nfs/dbraw/zinc/59/18/08/595591808.db2.gz HGMNSSHVVDHJJI-PKOBYXMFSA-N 2 2 336.476 1.753 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860133552 595591812 /nfs/dbraw/zinc/59/18/12/595591812.db2.gz HGMNSSHVVDHJJI-PKOBYXMFSA-N 2 2 336.476 1.753 20 0 EDADLP CC(=O)Nc1c(C)cccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417361 595706235 /nfs/dbraw/zinc/70/62/35/595706235.db2.gz ZFFWQBPONGDSCG-UHFFFAOYSA-N 2 2 334.464 1.567 20 0 EDADLP CC(=O)Nc1c(C)cccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417361 595706238 /nfs/dbraw/zinc/70/62/38/595706238.db2.gz ZFFWQBPONGDSCG-UHFFFAOYSA-N 2 2 334.464 1.567 20 0 EDADLP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H]1CC[N@H+](C)C1 ZINC000853333783 595737814 /nfs/dbraw/zinc/73/78/14/595737814.db2.gz KITDHERAAJBTNJ-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](C)C1 ZINC000853333783 595737815 /nfs/dbraw/zinc/73/78/15/595737815.db2.gz KITDHERAAJBTNJ-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCCC1 ZINC000853465161 595758537 /nfs/dbraw/zinc/75/85/37/595758537.db2.gz CMVDIEBBJFTHFU-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OC[C@H](OC(=O)Cn1c[nH+]cc1C)C(C)C ZINC000860856054 595818608 /nfs/dbraw/zinc/81/86/08/595818608.db2.gz DPNPOLYHLNYYJE-HNNXBMFYSA-N 2 2 348.403 1.508 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000850385459 595825026 /nfs/dbraw/zinc/82/50/26/595825026.db2.gz HFKBQACBTISRTL-QLFBSQMISA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000850385459 595825029 /nfs/dbraw/zinc/82/50/29/595825029.db2.gz HFKBQACBTISRTL-QLFBSQMISA-N 2 2 339.480 1.695 20 0 EDADLP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000858601061 595839269 /nfs/dbraw/zinc/83/92/69/595839269.db2.gz BCOJLOWVPPNZDW-IHRRRGAJSA-N 2 2 334.407 1.400 20 0 EDADLP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000858601061 595839273 /nfs/dbraw/zinc/83/92/73/595839273.db2.gz BCOJLOWVPPNZDW-IHRRRGAJSA-N 2 2 334.407 1.400 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2C[C@H](O)c3ccccc32)CC1 ZINC000853913061 595919859 /nfs/dbraw/zinc/91/98/59/595919859.db2.gz BYKVWOYGUUXUSJ-MSOLQXFVSA-N 2 2 346.475 1.490 20 0 EDADLP C[N@H+](C[C@H]1COC(C)(C)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851958095 595985541 /nfs/dbraw/zinc/98/55/41/595985541.db2.gz XYLUYEVPXFBRCU-PKOBYXMFSA-N 2 2 334.460 1.707 20 0 EDADLP C[N@@H+](C[C@H]1COC(C)(C)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851958095 595985546 /nfs/dbraw/zinc/98/55/46/595985546.db2.gz XYLUYEVPXFBRCU-PKOBYXMFSA-N 2 2 334.460 1.707 20 0 EDADLP C[NH+](C[C@H]1COC(C)(C)O1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000851958095 595985548 /nfs/dbraw/zinc/98/55/48/595985548.db2.gz XYLUYEVPXFBRCU-PKOBYXMFSA-N 2 2 334.460 1.707 20 0 EDADLP C[NH+](C[C@H]1COC(C)(C)O1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000851958095 595985553 /nfs/dbraw/zinc/98/55/53/595985553.db2.gz XYLUYEVPXFBRCU-PKOBYXMFSA-N 2 2 334.460 1.707 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCN(C=O)CC2)cc1F ZINC000854229893 596008988 /nfs/dbraw/zinc/00/89/88/596008988.db2.gz ZQTLUZGYNDXNIG-RDJZCZTQSA-N 2 2 335.423 1.490 20 0 EDADLP O[C@@H]1C[C@H]2C[N@H+](CCC[NH+]3CCCCC3)Cc3cccnc3N2C1 ZINC000856556693 596017218 /nfs/dbraw/zinc/01/72/18/596017218.db2.gz QDFVWXWJCGXHSE-ZWKOTPCHSA-N 2 2 330.476 1.713 20 0 EDADLP O[C@@H]1C[C@H]2C[N@@H+](CCC[NH+]3CCCCC3)Cc3cccnc3N2C1 ZINC000856556693 596017220 /nfs/dbraw/zinc/01/72/20/596017220.db2.gz QDFVWXWJCGXHSE-ZWKOTPCHSA-N 2 2 330.476 1.713 20 0 EDADLP CCOC(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558003 596017967 /nfs/dbraw/zinc/01/79/67/596017967.db2.gz CEVRDPYDVVSXKC-KRWDZBQOSA-N 2 2 335.448 1.938 20 0 EDADLP CCOC(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558003 596017969 /nfs/dbraw/zinc/01/79/69/596017969.db2.gz CEVRDPYDVVSXKC-KRWDZBQOSA-N 2 2 335.448 1.938 20 0 EDADLP CCOC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856558003 596017974 /nfs/dbraw/zinc/01/79/74/596017974.db2.gz CEVRDPYDVVSXKC-KRWDZBQOSA-N 2 2 335.448 1.938 20 0 EDADLP CCOC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856558003 596017976 /nfs/dbraw/zinc/01/79/76/596017976.db2.gz CEVRDPYDVVSXKC-KRWDZBQOSA-N 2 2 335.448 1.938 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCC(C)C)C2)ccn1 ZINC000856594338 596027118 /nfs/dbraw/zinc/02/71/18/596027118.db2.gz FSLVHSYULNXOGD-GOSISDBHSA-N 2 2 348.491 1.759 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCC(C)C)C2)ccn1 ZINC000856594338 596027123 /nfs/dbraw/zinc/02/71/23/596027123.db2.gz FSLVHSYULNXOGD-GOSISDBHSA-N 2 2 348.491 1.759 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)NCC(C)C)C2)ccn1 ZINC000856594338 596027132 /nfs/dbraw/zinc/02/71/32/596027132.db2.gz FSLVHSYULNXOGD-GOSISDBHSA-N 2 2 348.491 1.759 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)NCC(C)C)C2)ccn1 ZINC000856594338 596027133 /nfs/dbraw/zinc/02/71/33/596027133.db2.gz FSLVHSYULNXOGD-GOSISDBHSA-N 2 2 348.491 1.759 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815201 596091869 /nfs/dbraw/zinc/09/18/69/596091869.db2.gz IZDLKNUESPVHSD-VKJFTORMSA-N 2 2 341.496 1.678 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815201 596091871 /nfs/dbraw/zinc/09/18/71/596091871.db2.gz IZDLKNUESPVHSD-VKJFTORMSA-N 2 2 341.496 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815201 596091876 /nfs/dbraw/zinc/09/18/76/596091876.db2.gz IZDLKNUESPVHSD-VKJFTORMSA-N 2 2 341.496 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815201 596091880 /nfs/dbraw/zinc/09/18/80/596091880.db2.gz IZDLKNUESPVHSD-VKJFTORMSA-N 2 2 341.496 1.678 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](O)c3cccnc3)CC2)CC1 ZINC000862018914 596184033 /nfs/dbraw/zinc/18/40/33/596184033.db2.gz GHYYFBNQYRCMBR-SFHVURJKSA-N 2 2 346.475 1.134 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](O)c3cccnc3)CC2)CC1 ZINC000862018914 596184035 /nfs/dbraw/zinc/18/40/35/596184035.db2.gz GHYYFBNQYRCMBR-SFHVURJKSA-N 2 2 346.475 1.134 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)nc3)C2)nn1 ZINC000852751159 596237785 /nfs/dbraw/zinc/23/77/85/596237785.db2.gz RECKOBWSSNDXLR-ZDUSSCGKSA-N 2 2 349.826 1.061 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)nc3)C2)nn1 ZINC000852751159 596237786 /nfs/dbraw/zinc/23/77/86/596237786.db2.gz RECKOBWSSNDXLR-ZDUSSCGKSA-N 2 2 349.826 1.061 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CC(F)F)C1)C2 ZINC000868634144 596254983 /nfs/dbraw/zinc/25/49/83/596254983.db2.gz QVIMOWLQYUEAJN-YOEHRIQHSA-N 2 2 329.435 1.908 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+](CC(F)F)C1)C2 ZINC000868634144 596254987 /nfs/dbraw/zinc/25/49/87/596254987.db2.gz QVIMOWLQYUEAJN-YOEHRIQHSA-N 2 2 329.435 1.908 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+](CC(F)F)C1)C2 ZINC000868634144 596254989 /nfs/dbraw/zinc/25/49/89/596254989.db2.gz QVIMOWLQYUEAJN-YOEHRIQHSA-N 2 2 329.435 1.908 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)C2 ZINC000868634144 596254993 /nfs/dbraw/zinc/25/49/93/596254993.db2.gz QVIMOWLQYUEAJN-YOEHRIQHSA-N 2 2 329.435 1.908 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862215768 596277378 /nfs/dbraw/zinc/27/73/78/596277378.db2.gz SGAIBCLTUKMOHN-UHFFFAOYSA-N 2 2 341.415 1.204 20 0 EDADLP COc1cccc([C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000864612492 596282521 /nfs/dbraw/zinc/28/25/21/596282521.db2.gz PRNXWBIMHUNYMB-MOTZXUDYSA-N 2 2 347.459 1.303 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000866716897 596308441 /nfs/dbraw/zinc/30/84/41/596308441.db2.gz UEPLZTLPPOZXTJ-IAQYHMDHSA-N 2 2 329.404 1.281 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000866716897 596308443 /nfs/dbraw/zinc/30/84/43/596308443.db2.gz UEPLZTLPPOZXTJ-IAQYHMDHSA-N 2 2 329.404 1.281 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000870854480 596378209 /nfs/dbraw/zinc/37/82/09/596378209.db2.gz GIVPMOQLULTPPV-KKUMJFAQSA-N 2 2 337.489 1.755 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000870855582 596378709 /nfs/dbraw/zinc/37/87/09/596378709.db2.gz FJRRVFPEICUNNG-RZDIXWSQSA-N 2 2 331.460 1.653 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000869130156 596420173 /nfs/dbraw/zinc/42/01/73/596420173.db2.gz SVQWJPZFDDSHJO-FSZRXZPDSA-N 2 2 342.443 1.953 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C2)c1 ZINC000870978059 596424558 /nfs/dbraw/zinc/42/45/58/596424558.db2.gz PVTPGGPCIGNOEP-GJZGRUSLSA-N 2 2 341.402 1.295 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)C2)c1 ZINC000870978059 596424560 /nfs/dbraw/zinc/42/45/60/596424560.db2.gz PVTPGGPCIGNOEP-GJZGRUSLSA-N 2 2 341.402 1.295 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000870979573 596426884 /nfs/dbraw/zinc/42/68/84/596426884.db2.gz PBJBRQUSMGUSSV-SJKOYZFVSA-N 2 2 325.416 1.403 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000870979573 596426887 /nfs/dbraw/zinc/42/68/87/596426887.db2.gz PBJBRQUSMGUSSV-SJKOYZFVSA-N 2 2 325.416 1.403 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865041379 596453644 /nfs/dbraw/zinc/45/36/44/596453644.db2.gz UTCRGUCWPWXXAZ-ONEGZZNKSA-N 2 2 349.450 1.604 20 0 EDADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)/C=C\C[NH+]3CCOCC3)C2)CC1 ZINC000865068937 596463067 /nfs/dbraw/zinc/46/30/67/596463067.db2.gz XHYISQVTGXQHIF-SIEMBAAWSA-N 2 2 349.519 1.845 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000871286141 596524897 /nfs/dbraw/zinc/52/48/97/596524897.db2.gz ZVMFPIHJRNSHCQ-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000871286141 596524898 /nfs/dbraw/zinc/52/48/98/596524898.db2.gz ZVMFPIHJRNSHCQ-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000871286141 596524899 /nfs/dbraw/zinc/52/48/99/596524899.db2.gz ZVMFPIHJRNSHCQ-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000871286141 596524900 /nfs/dbraw/zinc/52/49/00/596524900.db2.gz ZVMFPIHJRNSHCQ-RBUKOAKNSA-N 2 2 345.487 1.796 20 0 EDADLP O=C(c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1)N1CCCC1 ZINC000865449785 596578419 /nfs/dbraw/zinc/57/84/19/596578419.db2.gz BQKVAFHVZURPIR-RTBURBONSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1)N1CCCC1 ZINC000865449785 596578423 /nfs/dbraw/zinc/57/84/23/596578423.db2.gz BQKVAFHVZURPIR-RTBURBONSA-N 2 2 343.471 1.875 20 0 EDADLP C[C@H](C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000865471433 596584664 /nfs/dbraw/zinc/58/46/64/596584664.db2.gz RZPZOOAYKFANFA-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP FC(F)(F)c1c[nH+]ccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000865505430 596593624 /nfs/dbraw/zinc/59/36/24/596593624.db2.gz FFPDTWSXDFKVDC-UHFFFAOYSA-N 2 2 341.337 1.795 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865530146 596601453 /nfs/dbraw/zinc/60/14/53/596601453.db2.gz BMSGSQDHHUIOJH-UHFFFAOYSA-N 2 2 327.469 1.290 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865530146 596601455 /nfs/dbraw/zinc/60/14/55/596601455.db2.gz BMSGSQDHHUIOJH-UHFFFAOYSA-N 2 2 327.469 1.290 20 0 EDADLP Clc1cc2c(nc[nH+]c2NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]1 ZINC000865545715 596607156 /nfs/dbraw/zinc/60/71/56/596607156.db2.gz FYFPCJIMHRQESD-NSHDSACASA-N 2 2 335.839 1.946 20 0 EDADLP CCOCCCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865750099 596670082 /nfs/dbraw/zinc/67/00/82/596670082.db2.gz KFQLGCNJWAETIH-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CCOCCCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865750099 596670085 /nfs/dbraw/zinc/67/00/85/596670085.db2.gz KFQLGCNJWAETIH-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@]23COC(=O)N2CCOC3)n1-c1ccccc1 ZINC000865770599 596676729 /nfs/dbraw/zinc/67/67/29/596676729.db2.gz STWPXAPATHLKNO-SFHVURJKSA-N 2 2 342.399 1.492 20 0 EDADLP Cc1ccc(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)[nH+]1 ZINC000868131611 596697136 /nfs/dbraw/zinc/69/71/36/596697136.db2.gz GZUTWLWZIWJFTM-CFVMTHIKSA-N 2 2 345.403 1.097 20 0 EDADLP Nc1nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc(C2CCCC2)[nH+]1 ZINC000865957349 596737702 /nfs/dbraw/zinc/73/77/02/596737702.db2.gz ZDORSYNONLOKLS-CQSZACIVSA-N 2 2 332.452 1.147 20 0 EDADLP Nc1nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc(C2CCCC2)[nH+]1 ZINC000865957349 596737704 /nfs/dbraw/zinc/73/77/04/596737704.db2.gz ZDORSYNONLOKLS-CQSZACIVSA-N 2 2 332.452 1.147 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000870144897 596770903 /nfs/dbraw/zinc/77/09/03/596770903.db2.gz IBXNZACYHNABTF-DCKQQPRJSA-N 2 2 345.443 1.057 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[NH2+]2)c1 ZINC000870150617 596774030 /nfs/dbraw/zinc/77/40/30/596774030.db2.gz WRSINMWIKWUQLV-RDJZCZTQSA-N 2 2 340.427 1.627 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[NH2+]2)c1 ZINC000870151002 596774736 /nfs/dbraw/zinc/77/47/36/596774736.db2.gz RHWXPEPCBSDSBC-MAUKXSAKSA-N 2 2 340.427 1.627 20 0 EDADLP CN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)Cc2ccc[nH+]c21 ZINC000868354259 596797195 /nfs/dbraw/zinc/79/71/95/596797195.db2.gz ISWCAQKRPUBPEM-CQSZACIVSA-N 2 2 329.448 1.527 20 0 EDADLP CN1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)Cc2ccc[nH+]c21 ZINC000868354259 596797197 /nfs/dbraw/zinc/79/71/97/596797197.db2.gz ISWCAQKRPUBPEM-CQSZACIVSA-N 2 2 329.448 1.527 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1C(F)(F)F ZINC000872147845 596810957 /nfs/dbraw/zinc/81/09/57/596810957.db2.gz FMOFOOUDNIKZQM-NWDGAFQWSA-N 2 2 347.406 1.702 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCc3sccc3C2)C[C@H]1C(F)(F)F ZINC000872147845 596810961 /nfs/dbraw/zinc/81/09/61/596810961.db2.gz FMOFOOUDNIKZQM-NWDGAFQWSA-N 2 2 347.406 1.702 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147016 596811301 /nfs/dbraw/zinc/81/13/01/596811301.db2.gz CCKZRLOAWONPSD-MDZLAQPJSA-N 2 2 349.422 1.864 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147016 596811302 /nfs/dbraw/zinc/81/13/02/596811302.db2.gz CCKZRLOAWONPSD-MDZLAQPJSA-N 2 2 349.422 1.864 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CC1 ZINC000872148936 596812076 /nfs/dbraw/zinc/81/20/76/596812076.db2.gz LNJMMFHOOBRKIH-QKCSRTOESA-N 2 2 333.398 1.845 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CC1 ZINC000872148936 596812078 /nfs/dbraw/zinc/81/20/78/596812078.db2.gz LNJMMFHOOBRKIH-QKCSRTOESA-N 2 2 333.398 1.845 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872154369 596815111 /nfs/dbraw/zinc/81/51/11/596815111.db2.gz YUZHODSBFIJOOJ-QFBILLFUSA-N 2 2 331.460 1.421 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872154369 596815113 /nfs/dbraw/zinc/81/51/13/596815113.db2.gz YUZHODSBFIJOOJ-QFBILLFUSA-N 2 2 331.460 1.421 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000872218297 596840794 /nfs/dbraw/zinc/84/07/94/596840794.db2.gz LZDZHUAJUQWPGY-INIZCTEOSA-N 2 2 348.491 1.516 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1 ZINC000872218297 596840796 /nfs/dbraw/zinc/84/07/96/596840796.db2.gz LZDZHUAJUQWPGY-INIZCTEOSA-N 2 2 348.491 1.516 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)C[C@@H]1C ZINC000866412691 596880447 /nfs/dbraw/zinc/88/04/47/596880447.db2.gz BAUXKLBDLQHRIZ-YHUYYLMFSA-N 2 2 326.481 1.789 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)C[C@@H]1C ZINC000866412691 596880448 /nfs/dbraw/zinc/88/04/48/596880448.db2.gz BAUXKLBDLQHRIZ-YHUYYLMFSA-N 2 2 326.481 1.789 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3cn4cc(F)ccc4[nH+]3)C2)C1 ZINC000868573062 596886920 /nfs/dbraw/zinc/88/69/20/596886920.db2.gz YBYRBPKNVFJHML-SFHVURJKSA-N 2 2 330.407 1.960 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3cn4cc(F)ccc4[nH+]3)C2)C1 ZINC000868573062 596886921 /nfs/dbraw/zinc/88/69/21/596886921.db2.gz YBYRBPKNVFJHML-SFHVURJKSA-N 2 2 330.407 1.960 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000875625751 596924162 /nfs/dbraw/zinc/92/41/62/596924162.db2.gz FRCJSTZZRUWDPZ-HNNXBMFYSA-N 2 2 335.452 1.328 20 0 EDADLP C[N@@H+]1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CCC1(C)C ZINC000874098821 596927943 /nfs/dbraw/zinc/92/79/43/596927943.db2.gz PWZOWNTYUWMXNY-UHFFFAOYSA-N 2 2 329.404 1.216 20 0 EDADLP C[N@H+]1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CCC1(C)C ZINC000874098821 596927946 /nfs/dbraw/zinc/92/79/46/596927946.db2.gz PWZOWNTYUWMXNY-UHFFFAOYSA-N 2 2 329.404 1.216 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)ccc2[nH+]1 ZINC000874172526 596952722 /nfs/dbraw/zinc/95/27/22/596952722.db2.gz JVBHEQWYQQFPRJ-UKRRQHHQSA-N 2 2 341.415 1.134 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)ccc2[nH+]1 ZINC000874172526 596952724 /nfs/dbraw/zinc/95/27/24/596952724.db2.gz JVBHEQWYQQFPRJ-UKRRQHHQSA-N 2 2 341.415 1.134 20 0 EDADLP COC(=O)c1nn(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c2ccccc21 ZINC000872722621 597045172 /nfs/dbraw/zinc/04/51/72/597045172.db2.gz FXPFHRRBPLUSTQ-ZFWWWQNUSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1nn(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)c2ccccc21 ZINC000872722621 597045177 /nfs/dbraw/zinc/04/51/77/597045177.db2.gz FXPFHRRBPLUSTQ-ZFWWWQNUSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1nn(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c2ccccc21 ZINC000872722621 597045181 /nfs/dbraw/zinc/04/51/81/597045181.db2.gz FXPFHRRBPLUSTQ-ZFWWWQNUSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1nn(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c2ccccc21 ZINC000872722621 597045187 /nfs/dbraw/zinc/04/51/87/597045187.db2.gz FXPFHRRBPLUSTQ-ZFWWWQNUSA-N 2 2 328.416 1.806 20 0 EDADLP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000874431479 597075885 /nfs/dbraw/zinc/07/58/85/597075885.db2.gz OACOWIONZVDAIG-MJBXVCDLSA-N 2 2 338.477 1.158 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000874433726 597076475 /nfs/dbraw/zinc/07/64/75/597076475.db2.gz PVCFXBZRKCTFNG-HNNXBMFYSA-N 2 2 343.431 1.292 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000876094823 597087359 /nfs/dbraw/zinc/08/73/59/597087359.db2.gz OOTUUIYGCVMCEI-SJORKVTESA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000876094823 597087363 /nfs/dbraw/zinc/08/73/63/597087363.db2.gz OOTUUIYGCVMCEI-SJORKVTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000125830800 597145417 /nfs/dbraw/zinc/14/54/17/597145417.db2.gz GGIFHNURGNUUCW-INIZCTEOSA-N 2 2 344.415 1.781 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000125830800 597145418 /nfs/dbraw/zinc/14/54/18/597145418.db2.gz GGIFHNURGNUUCW-INIZCTEOSA-N 2 2 344.415 1.781 20 0 EDADLP CC[C@@H](Nc1cccnc1Cl)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000876541632 597233517 /nfs/dbraw/zinc/23/35/17/597233517.db2.gz CSLLGISJVJGNCP-VXGBXAGGSA-N 2 2 325.844 1.027 20 0 EDADLP CC[C@@H](Nc1cccnc1Cl)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000876541632 597233518 /nfs/dbraw/zinc/23/35/18/597233518.db2.gz CSLLGISJVJGNCP-VXGBXAGGSA-N 2 2 325.844 1.027 20 0 EDADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc(OC)c1O ZINC000873228052 597233901 /nfs/dbraw/zinc/23/39/01/597233901.db2.gz OPVGPNHGYQCKIY-MNOVXSKESA-N 2 2 334.338 1.978 20 0 EDADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc(OC)c1O ZINC000873228052 597233903 /nfs/dbraw/zinc/23/39/03/597233903.db2.gz OPVGPNHGYQCKIY-MNOVXSKESA-N 2 2 334.338 1.978 20 0 EDADLP Brc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1 ZINC000873261034 597241738 /nfs/dbraw/zinc/24/17/38/597241738.db2.gz ANRKJVSZGZTOBE-UONOGXRCSA-N 2 2 326.238 1.701 20 0 EDADLP c1nnc([C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2ccccc2)[nH]1 ZINC000873290862 597249277 /nfs/dbraw/zinc/24/92/77/597249277.db2.gz BHTMLVPYZATQGW-HOTGVXAUSA-N 2 2 327.432 1.642 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1N1CCCC1 ZINC000873338334 597261024 /nfs/dbraw/zinc/26/10/24/597261024.db2.gz YBYCCWRCVPAGAH-MRXNPFEDSA-N 2 2 331.464 1.702 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1N1CCCC1 ZINC000873338334 597261025 /nfs/dbraw/zinc/26/10/25/597261025.db2.gz YBYCCWRCVPAGAH-MRXNPFEDSA-N 2 2 331.464 1.702 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875075092 597271730 /nfs/dbraw/zinc/27/17/30/597271730.db2.gz VUZQGCKCOIFDDL-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH+](CC)CC1 ZINC000875204101 597329877 /nfs/dbraw/zinc/32/98/77/597329877.db2.gz MVPRDNPXTMSMTH-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH+](CC)CC1 ZINC000875204101 597329880 /nfs/dbraw/zinc/32/98/80/597329880.db2.gz MVPRDNPXTMSMTH-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H]3CSC[C@@H]3C2)CC1 ZINC000875428673 597424387 /nfs/dbraw/zinc/42/43/87/597424387.db2.gz PTXNHIBKCZPRNI-CABCVRRESA-N 2 2 340.537 1.407 20 0 EDADLP C[C@@H]([NH3+])CN(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000877103399 597434007 /nfs/dbraw/zinc/43/40/07/597434007.db2.gz NVQOOKMFNLUWLS-CYBMUJFWSA-N 2 2 329.404 1.331 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[NH+]2CCCC2)c2[nH+]ccn2C)c1 ZINC000873889793 597434582 /nfs/dbraw/zinc/43/45/82/597434582.db2.gz IHMFEGMYYPCHEL-QGZVFWFLSA-N 2 2 328.416 1.730 20 0 EDADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(S(N)(=O)=O)c1 ZINC000877528296 597531069 /nfs/dbraw/zinc/53/10/69/597531069.db2.gz XULFJSNFJKXMEV-UHFFFAOYSA-N 2 2 327.494 1.888 20 0 EDADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(S(N)(=O)=O)c1 ZINC000877528296 597531071 /nfs/dbraw/zinc/53/10/71/597531071.db2.gz XULFJSNFJKXMEV-UHFFFAOYSA-N 2 2 327.494 1.888 20 0 EDADLP CO[C@@H]1C[C@@H]2C[N@H+](Cc3c[nH+]c(C)n3C)Cc3cccnc3N2C1 ZINC000877690814 597547770 /nfs/dbraw/zinc/54/77/70/597547770.db2.gz HUBUJZZVENNBCZ-NVXWUHKLSA-N 2 2 327.432 1.733 20 0 EDADLP CO[C@@H]1C[C@@H]2C[N@@H+](Cc3c[nH+]c(C)n3C)Cc3cccnc3N2C1 ZINC000877690814 597547771 /nfs/dbraw/zinc/54/77/71/597547771.db2.gz HUBUJZZVENNBCZ-NVXWUHKLSA-N 2 2 327.432 1.733 20 0 EDADLP COCC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)NC(=O)OC(C)(C)C ZINC000877739201 597552039 /nfs/dbraw/zinc/55/20/39/597552039.db2.gz FPCOHPXLYSHGMM-XHSDSOJGSA-N 2 2 341.496 1.942 20 0 EDADLP COCC[C@H](C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1)NC(=O)OC(C)(C)C ZINC000877739201 597552040 /nfs/dbraw/zinc/55/20/40/597552040.db2.gz FPCOHPXLYSHGMM-XHSDSOJGSA-N 2 2 341.496 1.942 20 0 EDADLP COCC[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)NC(=O)OC(C)(C)C ZINC000877739201 597552041 /nfs/dbraw/zinc/55/20/41/597552041.db2.gz FPCOHPXLYSHGMM-XHSDSOJGSA-N 2 2 341.496 1.942 20 0 EDADLP COCC[C@H](C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1)NC(=O)OC(C)(C)C ZINC000877739201 597552042 /nfs/dbraw/zinc/55/20/42/597552042.db2.gz FPCOHPXLYSHGMM-XHSDSOJGSA-N 2 2 341.496 1.942 20 0 EDADLP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(OC)cc1OC ZINC000878007718 597569227 /nfs/dbraw/zinc/56/92/27/597569227.db2.gz IVQDOJGTEJEVRO-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(OC)cc1OC ZINC000878007718 597569228 /nfs/dbraw/zinc/56/92/28/597569228.db2.gz IVQDOJGTEJEVRO-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878054551 597572381 /nfs/dbraw/zinc/57/23/81/597572381.db2.gz GCNRHSOGUFYAPW-INIZCTEOSA-N 2 2 325.497 1.820 20 0 EDADLP CN(C)C(=O)O[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878663425 597671295 /nfs/dbraw/zinc/67/12/95/597671295.db2.gz IDWMEAJOYREVBR-PKOBYXMFSA-N 2 2 347.459 1.396 20 0 EDADLP CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878663425 597671298 /nfs/dbraw/zinc/67/12/98/597671298.db2.gz IDWMEAJOYREVBR-PKOBYXMFSA-N 2 2 347.459 1.396 20 0 EDADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000878663425 597671303 /nfs/dbraw/zinc/67/13/03/597671303.db2.gz IDWMEAJOYREVBR-PKOBYXMFSA-N 2 2 347.459 1.396 20 0 EDADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000878663425 597671305 /nfs/dbraw/zinc/67/13/05/597671305.db2.gz IDWMEAJOYREVBR-PKOBYXMFSA-N 2 2 347.459 1.396 20 0 EDADLP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000879974330 597792642 /nfs/dbraw/zinc/79/26/42/597792642.db2.gz HFJMQZRZEIPKOQ-ZACQAIPSSA-N 2 2 334.464 1.405 20 0 EDADLP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000879974330 597792643 /nfs/dbraw/zinc/79/26/43/597792643.db2.gz HFJMQZRZEIPKOQ-ZACQAIPSSA-N 2 2 334.464 1.405 20 0 EDADLP CSCC[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000132138146 597798122 /nfs/dbraw/zinc/79/81/22/597798122.db2.gz XCZSTJTUZLIATE-CQSZACIVSA-N 2 2 342.553 1.986 20 0 EDADLP CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167418 597838781 /nfs/dbraw/zinc/83/87/81/597838781.db2.gz HTMLPLPGZZVLSO-LEUOFYLZSA-N 2 2 335.492 1.428 20 0 EDADLP CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167418 597838783 /nfs/dbraw/zinc/83/87/83/597838783.db2.gz HTMLPLPGZZVLSO-LEUOFYLZSA-N 2 2 335.492 1.428 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000879169646 597839549 /nfs/dbraw/zinc/83/95/49/597839549.db2.gz OEBFFCWFEZKTIY-IBGZPJMESA-N 2 2 345.487 1.646 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](CF)C3)CC2)c1 ZINC000880291407 597893548 /nfs/dbraw/zinc/89/35/48/597893548.db2.gz MAUAMICAZXANJT-SFHVURJKSA-N 2 2 333.451 1.931 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](CF)C3)CC2)c1 ZINC000880291407 597893551 /nfs/dbraw/zinc/89/35/51/597893551.db2.gz MAUAMICAZXANJT-SFHVURJKSA-N 2 2 333.451 1.931 20 0 EDADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000883894476 597934308 /nfs/dbraw/zinc/93/43/08/597934308.db2.gz FQEDGZHTQDPULC-NVXWUHKLSA-N 2 2 331.464 1.564 20 0 EDADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000883894476 597934310 /nfs/dbraw/zinc/93/43/10/597934310.db2.gz FQEDGZHTQDPULC-NVXWUHKLSA-N 2 2 331.464 1.564 20 0 EDADLP O[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)COC[C@@H]1CCCO1 ZINC000880567525 597966127 /nfs/dbraw/zinc/96/61/27/597966127.db2.gz JODLCDVWMMBDQN-QYZOEREBSA-N 2 2 345.443 1.771 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000884401314 598093931 /nfs/dbraw/zinc/09/39/31/598093931.db2.gz LCUPDUDWGLCDSP-HUUCEWRRSA-N 2 2 335.448 1.124 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000884401314 598093934 /nfs/dbraw/zinc/09/39/34/598093934.db2.gz LCUPDUDWGLCDSP-HUUCEWRRSA-N 2 2 335.448 1.124 20 0 EDADLP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000884470370 598114316 /nfs/dbraw/zinc/11/43/16/598114316.db2.gz MDPBFTBDSDHLNR-MOPGFXCFSA-N 2 2 347.503 1.946 20 0 EDADLP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000884470370 598114318 /nfs/dbraw/zinc/11/43/18/598114318.db2.gz MDPBFTBDSDHLNR-MOPGFXCFSA-N 2 2 347.503 1.946 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)[C@@H]1C ZINC000994297409 696725973 /nfs/dbraw/zinc/72/59/73/696725973.db2.gz GDXPPZPPEWDGDQ-ZBFHGGJFSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)[C@@H]1C ZINC000994297409 696725975 /nfs/dbraw/zinc/72/59/75/696725975.db2.gz GDXPPZPPEWDGDQ-ZBFHGGJFSA-N 2 2 334.464 1.656 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC000992758734 695289340 /nfs/dbraw/zinc/28/93/40/695289340.db2.gz SNPVOODRTXZZEZ-GVDBMIGSSA-N 2 2 330.476 1.979 20 0 EDADLP CCCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)o1 ZINC000939855943 699994490 /nfs/dbraw/zinc/99/44/90/699994490.db2.gz IUWGQCPTOALRJF-ZFWWWQNUSA-N 2 2 345.447 1.769 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000939858576 699997318 /nfs/dbraw/zinc/99/73/18/699997318.db2.gz YZASAVFMCULHLO-WDEREUQCSA-N 2 2 339.852 1.630 20 0 EDADLP COCc1cccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c1 ZINC000939855251 699993150 /nfs/dbraw/zinc/99/31/50/699993150.db2.gz CAMXJCDCWIVRAY-YJBOKZPZSA-N 2 2 342.443 1.666 20 0 EDADLP Cn1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)n1 ZINC000992922800 695455825 /nfs/dbraw/zinc/45/58/25/695455825.db2.gz HYONLDQCONZAJL-USXIJHARSA-N 2 2 342.447 1.034 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnns3)[C@@H]2C1 ZINC000992927581 695458228 /nfs/dbraw/zinc/45/82/28/695458228.db2.gz XTOCASQBUKVIHW-CFVMTHIKSA-N 2 2 346.460 1.152 20 0 EDADLP O=C(NC1C[NH+](CC2CC(F)(F)C2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001031081732 695483804 /nfs/dbraw/zinc/48/38/04/695483804.db2.gz BPWGFVWEIQEHOA-HUUCEWRRSA-N 2 2 327.419 1.849 20 0 EDADLP O=C(NC1C[NH+](CC2CC(F)(F)C2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001031081732 695483806 /nfs/dbraw/zinc/48/38/06/695483806.db2.gz BPWGFVWEIQEHOA-HUUCEWRRSA-N 2 2 327.419 1.849 20 0 EDADLP CC1CC(C[NH+]2CC(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC001031160914 695625410 /nfs/dbraw/zinc/62/54/10/695625410.db2.gz BVYDKZPVFFMDOV-UHFFFAOYSA-N 2 2 325.416 1.727 20 0 EDADLP Cc1cc(C)n(CC[NH+]2CC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)n1 ZINC001031253637 696023347 /nfs/dbraw/zinc/02/33/47/696023347.db2.gz IVENWEQDQGCNHP-SJLPKXTDSA-N 2 2 347.507 1.421 20 0 EDADLP CCn1nncc1C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993750656 696348408 /nfs/dbraw/zinc/34/84/08/696348408.db2.gz DIATVZKXAXLRKZ-YOEHRIQHSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1nncc1C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993750656 696348409 /nfs/dbraw/zinc/34/84/09/696348409.db2.gz DIATVZKXAXLRKZ-YOEHRIQHSA-N 2 2 348.495 1.109 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCC[N@H+]1CCCO ZINC000994164066 696551471 /nfs/dbraw/zinc/55/14/71/696551471.db2.gz WIAUMKHZOQWBAU-GDBMZVCRSA-N 2 2 343.431 1.232 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994215095 696585804 /nfs/dbraw/zinc/58/58/04/696585804.db2.gz XJDCZMGMRPVLDK-ZBFHGGJFSA-N 2 2 343.431 1.496 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1C ZINC000994215095 696585805 /nfs/dbraw/zinc/58/58/05/696585805.db2.gz XJDCZMGMRPVLDK-ZBFHGGJFSA-N 2 2 343.431 1.496 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)[C@@H]1C ZINC000994408102 696831694 /nfs/dbraw/zinc/83/16/94/696831694.db2.gz MZVJQEMUSYMXPY-RHSMWYFYSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)[C@@H]1C ZINC000994408102 696831695 /nfs/dbraw/zinc/83/16/95/696831695.db2.gz MZVJQEMUSYMXPY-RHSMWYFYSA-N 2 2 327.432 1.756 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(CO)cc1 ZINC000994504097 696941545 /nfs/dbraw/zinc/94/15/45/696941545.db2.gz GOABPHZXPOBVIU-CRAIPNDOSA-N 2 2 342.443 1.545 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994513087 696958306 /nfs/dbraw/zinc/95/83/06/696958306.db2.gz YWLMXRPLLOHPDT-ZBFHGGJFSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994513087 696958309 /nfs/dbraw/zinc/95/83/09/696958309.db2.gz YWLMXRPLLOHPDT-ZBFHGGJFSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031385106 697004450 /nfs/dbraw/zinc/00/44/50/697004450.db2.gz UTBTWJHUPNGHRB-MRXNPFEDSA-N 2 2 331.460 1.434 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031385106 697004454 /nfs/dbraw/zinc/00/44/54/697004454.db2.gz UTBTWJHUPNGHRB-MRXNPFEDSA-N 2 2 331.460 1.434 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC001031385740 697005851 /nfs/dbraw/zinc/00/58/51/697005851.db2.gz NHVNNVBRKKSVES-KSSFIOAISA-N 2 2 331.435 1.955 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC001031385740 697005853 /nfs/dbraw/zinc/00/58/53/697005853.db2.gz NHVNNVBRKKSVES-KSSFIOAISA-N 2 2 331.435 1.955 20 0 EDADLP Cn1cc(CC[NH+]2CC(NC(=O)c3ccccc3C[NH+](C)C)C2)cn1 ZINC001031438162 697105056 /nfs/dbraw/zinc/10/50/56/697105056.db2.gz VQWTYEXGBVRPQJ-UHFFFAOYSA-N 2 2 341.459 1.138 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001031585119 697280934 /nfs/dbraw/zinc/28/09/34/697280934.db2.gz PWOAXKBIDVEEQI-INIZCTEOSA-N 2 2 337.851 1.688 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001031585119 697280935 /nfs/dbraw/zinc/28/09/35/697280935.db2.gz PWOAXKBIDVEEQI-INIZCTEOSA-N 2 2 337.851 1.688 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)on1 ZINC001031668683 697462532 /nfs/dbraw/zinc/46/25/32/697462532.db2.gz LZMMKMUNSHOMSX-HOTGVXAUSA-N 2 2 332.448 1.405 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)on1 ZINC001031668683 697462534 /nfs/dbraw/zinc/46/25/34/697462534.db2.gz LZMMKMUNSHOMSX-HOTGVXAUSA-N 2 2 332.448 1.405 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001031714761 697737532 /nfs/dbraw/zinc/73/75/32/697737532.db2.gz MCQDWEDWNQKMAV-QGZVFWFLSA-N 2 2 331.464 1.207 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001031714761 697737536 /nfs/dbraw/zinc/73/75/36/697737536.db2.gz MCQDWEDWNQKMAV-QGZVFWFLSA-N 2 2 331.464 1.207 20 0 EDADLP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083892 700178456 /nfs/dbraw/zinc/17/84/56/700178456.db2.gz ZVGICVIYOPCCGS-UHFFFAOYSA-N 2 2 345.451 1.125 20 0 EDADLP Cc1noc(CCC[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC000943176289 697870856 /nfs/dbraw/zinc/87/08/56/697870856.db2.gz JMGHLLHEDGAXIC-IUODEOHRSA-N 2 2 346.435 1.103 20 0 EDADLP Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC000943176289 697870861 /nfs/dbraw/zinc/87/08/61/697870861.db2.gz JMGHLLHEDGAXIC-IUODEOHRSA-N 2 2 346.435 1.103 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943256345 698021909 /nfs/dbraw/zinc/02/19/09/698021909.db2.gz SHJSOYQVZWOPGT-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943256345 698021911 /nfs/dbraw/zinc/02/19/11/698021911.db2.gz SHJSOYQVZWOPGT-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)CC[NH+]1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001032098353 698699214 /nfs/dbraw/zinc/69/92/14/698699214.db2.gz OSNXPPXYCDEXAR-UHFFFAOYSA-N 2 2 327.432 1.975 20 0 EDADLP CC[C@@H](C[NH+]1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1)OC ZINC001032098366 698699417 /nfs/dbraw/zinc/69/94/17/698699417.db2.gz PEBQXCGUPUPSHK-SFHVURJKSA-N 2 2 342.443 1.959 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767055 698820120 /nfs/dbraw/zinc/82/01/20/698820120.db2.gz QJTGUEYCYXXCAQ-DOMZBBRYSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767055 698820124 /nfs/dbraw/zinc/82/01/24/698820124.db2.gz QJTGUEYCYXXCAQ-DOMZBBRYSA-N 2 2 345.447 1.838 20 0 EDADLP C[C@H]1C[N@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767228 698839035 /nfs/dbraw/zinc/83/90/35/698839035.db2.gz SPUFMTJLYOAKSC-JSGCOSHPSA-N 2 2 333.461 1.478 20 0 EDADLP C[C@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767228 698839039 /nfs/dbraw/zinc/83/90/39/698839039.db2.gz SPUFMTJLYOAKSC-JSGCOSHPSA-N 2 2 333.461 1.478 20 0 EDADLP Cn1cncc1C[NH+]1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032114682 698961465 /nfs/dbraw/zinc/96/14/65/698961465.db2.gz JPQWLWNSBMYICN-UHFFFAOYSA-N 2 2 345.491 1.090 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000995153030 701558266 /nfs/dbraw/zinc/55/82/66/701558266.db2.gz OCOQBAXVAUBILE-ZIAGYGMSSA-N 2 2 342.447 1.170 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)C12CCC[NH+](CCC1)C2 ZINC001031765032 699050612 /nfs/dbraw/zinc/05/06/12/699050612.db2.gz SFONDLAVCSORQU-UHFFFAOYSA-N 2 2 334.489 1.567 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)ncn1 ZINC001031766189 699055372 /nfs/dbraw/zinc/05/53/72/699055372.db2.gz BXZQLVKNDRKWFJ-ROUUACIJSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)ncn1 ZINC001031766189 699055373 /nfs/dbraw/zinc/05/53/73/699055373.db2.gz BXZQLVKNDRKWFJ-ROUUACIJSA-N 2 2 343.475 1.350 20 0 EDADLP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000939064099 699131086 /nfs/dbraw/zinc/13/10/86/699131086.db2.gz QRFFPVFCCLLNDN-SWLSCSKDSA-N 2 2 347.463 1.225 20 0 EDADLP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031779552 699183467 /nfs/dbraw/zinc/18/34/67/699183467.db2.gz VEBZCOJUZNUSEM-HNNXBMFYSA-N 2 2 332.448 1.063 20 0 EDADLP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001031784573 699203581 /nfs/dbraw/zinc/20/35/81/699203581.db2.gz VLNCLRGXXICQKI-MRXNPFEDSA-N 2 2 330.476 1.930 20 0 EDADLP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031783593 699210802 /nfs/dbraw/zinc/21/08/02/699210802.db2.gz ZZHXPNDNWFJDPZ-OAHLLOKOSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)o1 ZINC000939257198 699434482 /nfs/dbraw/zinc/43/44/82/699434482.db2.gz KUSWDEFCNIDQAK-SWLSCSKDSA-N 2 2 335.452 1.046 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000939395286 699545408 /nfs/dbraw/zinc/54/54/08/699545408.db2.gz GAKQMLVNFZUOAL-ZFWWWQNUSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000939407278 699561947 /nfs/dbraw/zinc/56/19/47/699561947.db2.gz BCDFAGRWIZLLLA-GOEBONIOSA-N 2 2 341.459 1.655 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939409547 699563717 /nfs/dbraw/zinc/56/37/17/699563717.db2.gz VJTYTZCEVICKHA-IAQYHMDHSA-N 2 2 331.420 1.448 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)ccc1C ZINC000939411825 699565339 /nfs/dbraw/zinc/56/53/39/699565339.db2.gz DUZZHGUKGHAEOK-GOEBONIOSA-N 2 2 342.443 1.906 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000939413981 699567162 /nfs/dbraw/zinc/56/71/62/699567162.db2.gz SUDPXRCVWDJJPE-BLLLJJGKSA-N 2 2 348.397 1.910 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000939533795 699671716 /nfs/dbraw/zinc/67/17/16/699671716.db2.gz FJQNBSRNWQYUBZ-CXAGYDPISA-N 2 2 330.407 1.738 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)sn1 ZINC000939533965 699672026 /nfs/dbraw/zinc/67/20/26/699672026.db2.gz HFUMUQYCUVEJCX-ABAIWWIYSA-N 2 2 333.461 1.364 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939533892 699672068 /nfs/dbraw/zinc/67/20/68/699672068.db2.gz FTEOJEJPMYRWMY-YVEFUNNKSA-N 2 2 343.431 1.465 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cc1 ZINC000939534391 699675213 /nfs/dbraw/zinc/67/52/13/699675213.db2.gz JSKPNSYEFRVEBP-RDTXWAMCSA-N 2 2 342.443 1.608 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939541408 699682041 /nfs/dbraw/zinc/68/20/41/699682041.db2.gz NNZLEAYPHMVHPO-OCCSQVGLSA-N 2 2 330.436 1.058 20 0 EDADLP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939642756 699772172 /nfs/dbraw/zinc/77/21/72/699772172.db2.gz MMZBTOVCWAPQOZ-SUMWQHHRSA-N 2 2 342.447 1.088 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccon3)C2)no1 ZINC000994997576 699862450 /nfs/dbraw/zinc/86/24/50/699862450.db2.gz HAQHAFKMBOPTKX-QWHCGFSZSA-N 2 2 347.419 1.413 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC000939747857 699894395 /nfs/dbraw/zinc/89/43/95/699894395.db2.gz MWOJUJVWFVROOF-BXUZGUMPSA-N 2 2 333.461 1.593 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)o1 ZINC000939812917 699960457 /nfs/dbraw/zinc/96/04/57/699960457.db2.gz WSKQRJPCUWRFTD-LSDHHAIUSA-N 2 2 349.479 1.445 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nncs2)CC1 ZINC000948244541 700428507 /nfs/dbraw/zinc/42/85/07/700428507.db2.gz HHLOUCGUFOLEDF-ZIAGYGMSSA-N 2 2 337.493 1.445 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nncs2)CC1 ZINC000948244541 700428508 /nfs/dbraw/zinc/42/85/08/700428508.db2.gz HHLOUCGUFOLEDF-ZIAGYGMSSA-N 2 2 337.493 1.445 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nncs2)CC1 ZINC000948244541 700428511 /nfs/dbraw/zinc/42/85/11/700428511.db2.gz HHLOUCGUFOLEDF-ZIAGYGMSSA-N 2 2 337.493 1.445 20 0 EDADLP CCc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)o1 ZINC000940392720 700569276 /nfs/dbraw/zinc/56/92/76/700569276.db2.gz MEWDBOZITOXLSH-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000940397351 700594413 /nfs/dbraw/zinc/59/44/13/700594413.db2.gz KZIMTPXONBEDIG-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP Cc1noc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC000940441388 700642729 /nfs/dbraw/zinc/64/27/29/700642729.db2.gz GRMQNYYLAGUJJT-UHFFFAOYSA-N 2 2 332.408 1.123 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)on1 ZINC000995170352 701677321 /nfs/dbraw/zinc/67/73/21/701677321.db2.gz SWOMWXXCNKJULL-KBPBESRZSA-N 2 2 331.420 1.334 20 0 EDADLP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842636 700938415 /nfs/dbraw/zinc/93/84/15/700938415.db2.gz LBPRFWKBSVKBLD-DLBZAZTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842636 700938417 /nfs/dbraw/zinc/93/84/17/700938417.db2.gz LBPRFWKBSVKBLD-DLBZAZTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842636 700938419 /nfs/dbraw/zinc/93/84/19/700938419.db2.gz LBPRFWKBSVKBLD-DLBZAZTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842636 700938421 /nfs/dbraw/zinc/93/84/21/700938421.db2.gz LBPRFWKBSVKBLD-DLBZAZTESA-N 2 2 347.507 1.621 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000940850819 700951716 /nfs/dbraw/zinc/95/17/16/700951716.db2.gz NVWIKIGXOWWUMC-HUUCEWRRSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000940850819 700951717 /nfs/dbraw/zinc/95/17/17/700951717.db2.gz NVWIKIGXOWWUMC-HUUCEWRRSA-N 2 2 334.464 1.045 20 0 EDADLP CCc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)o1 ZINC000995107864 700971772 /nfs/dbraw/zinc/97/17/72/700971772.db2.gz SHQSPRVAPNFAFR-UONOGXRCSA-N 2 2 345.447 1.886 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025686 701064496 /nfs/dbraw/zinc/06/44/96/701064496.db2.gz FFIMYBUCGXIGBZ-HOTGVXAUSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025686 701064497 /nfs/dbraw/zinc/06/44/97/701064497.db2.gz FFIMYBUCGXIGBZ-HOTGVXAUSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025686 701064498 /nfs/dbraw/zinc/06/44/98/701064498.db2.gz FFIMYBUCGXIGBZ-HOTGVXAUSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025686 701064499 /nfs/dbraw/zinc/06/44/99/701064499.db2.gz FFIMYBUCGXIGBZ-HOTGVXAUSA-N 2 2 345.491 1.535 20 0 EDADLP CC1(C)C[N@H+](C[C@@H]2CCCCO2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062149 701109877 /nfs/dbraw/zinc/10/98/77/701109877.db2.gz WLUUBIQGGFOPQO-HOTGVXAUSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)C[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062149 701109879 /nfs/dbraw/zinc/10/98/79/701109879.db2.gz WLUUBIQGGFOPQO-HOTGVXAUSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1csc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995118828 701115662 /nfs/dbraw/zinc/11/56/62/701115662.db2.gz UOPVGCJLXPTZKB-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)CC1(C)C ZINC000941166935 701377829 /nfs/dbraw/zinc/37/78/29/701377829.db2.gz MKCFWRMANHKNAK-MRXNPFEDSA-N 2 2 344.463 1.113 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)CC1(C)C ZINC000941166935 701377830 /nfs/dbraw/zinc/37/78/30/701377830.db2.gz MKCFWRMANHKNAK-MRXNPFEDSA-N 2 2 344.463 1.113 20 0 EDADLP Cc1ncsc1C[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031931081 701378418 /nfs/dbraw/zinc/37/84/18/701378418.db2.gz DVCFGNURVMSRLN-UHFFFAOYSA-N 2 2 348.472 1.968 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221155 701411707 /nfs/dbraw/zinc/41/17/07/701411707.db2.gz MBNOKVANXHCCTD-OAHLLOKOSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221155 701411708 /nfs/dbraw/zinc/41/17/08/701411708.db2.gz MBNOKVANXHCCTD-OAHLLOKOSA-N 2 2 335.452 1.191 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221249 701411846 /nfs/dbraw/zinc/41/18/46/701411846.db2.gz OLMVVNKCLLTKNX-MRXNPFEDSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221249 701411848 /nfs/dbraw/zinc/41/18/48/701411848.db2.gz OLMVVNKCLLTKNX-MRXNPFEDSA-N 2 2 347.507 1.716 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941221561 701412590 /nfs/dbraw/zinc/41/25/90/701412590.db2.gz XFBBQYBOOYJMHB-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941221561 701412591 /nfs/dbraw/zinc/41/25/91/701412591.db2.gz XFBBQYBOOYJMHB-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941221561 701412592 /nfs/dbraw/zinc/41/25/92/701412592.db2.gz XFBBQYBOOYJMHB-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941221561 701412593 /nfs/dbraw/zinc/41/25/93/701412593.db2.gz XFBBQYBOOYJMHB-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941248025 701424881 /nfs/dbraw/zinc/42/48/81/701424881.db2.gz UKRSTPQRFWOKDX-INIZCTEOSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941248025 701424882 /nfs/dbraw/zinc/42/48/82/701424882.db2.gz UKRSTPQRFWOKDX-INIZCTEOSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1ncoc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995175737 701803913 /nfs/dbraw/zinc/80/39/13/701803913.db2.gz AINQFFARJDFGDA-ZIAGYGMSSA-N 2 2 331.420 1.632 20 0 EDADLP O=C(NCC1C[NH+](Cc2cccc(Cl)n2)C1)C12CC[NH+](CC1)C2 ZINC001032129973 701830942 /nfs/dbraw/zinc/83/09/42/701830942.db2.gz CAZMYEQCQRRWFQ-UHFFFAOYSA-N 2 2 334.851 1.379 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000999177339 706619919 /nfs/dbraw/zinc/61/99/19/706619919.db2.gz XYKOTUHMVIPVOW-GJZGRUSLSA-N 2 2 347.463 1.054 20 0 EDADLP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001032659317 706625992 /nfs/dbraw/zinc/62/59/92/706625992.db2.gz YTFDMYFMWGURHR-SQNIBIBYSA-N 2 2 349.519 1.963 20 0 EDADLP CC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001032659317 706625995 /nfs/dbraw/zinc/62/59/95/706625995.db2.gz YTFDMYFMWGURHR-SQNIBIBYSA-N 2 2 349.519 1.963 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000995179780 701936524 /nfs/dbraw/zinc/93/65/24/701936524.db2.gz CLUBBWQBZJPXHL-LSDHHAIUSA-N 2 2 342.447 1.434 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)nn1C ZINC000995180727 701997001 /nfs/dbraw/zinc/99/70/01/701997001.db2.gz FVUAJMJDIXGPOW-HUUCEWRRSA-N 2 2 344.463 1.377 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)c(C)s1 ZINC001031980632 702143465 /nfs/dbraw/zinc/14/34/65/702143465.db2.gz XACBWRJUDQGXIF-NHYWBVRUSA-N 2 2 336.505 1.506 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c(C)s1 ZINC001031980632 702143466 /nfs/dbraw/zinc/14/34/66/702143466.db2.gz XACBWRJUDQGXIF-NHYWBVRUSA-N 2 2 336.505 1.506 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000995187363 702197737 /nfs/dbraw/zinc/19/77/37/702197737.db2.gz RSTNKDNHTBWZHE-ZBFHGGJFSA-N 2 2 327.432 1.730 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nccnc2C)C1 ZINC000995187694 702200723 /nfs/dbraw/zinc/20/07/23/702200723.db2.gz SWORXSJWTOUXGD-CABCVRRESA-N 2 2 342.447 1.434 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000995886791 702223426 /nfs/dbraw/zinc/22/34/26/702223426.db2.gz NWBMFFVVBOGYOK-HUUCEWRRSA-N 2 2 349.479 1.579 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000995886791 702223433 /nfs/dbraw/zinc/22/34/33/702223433.db2.gz NWBMFFVVBOGYOK-HUUCEWRRSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918484 702237650 /nfs/dbraw/zinc/23/76/50/702237650.db2.gz NVGFFESAUVDQGH-IUODEOHRSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918484 702237654 /nfs/dbraw/zinc/23/76/54/702237654.db2.gz NVGFFESAUVDQGH-IUODEOHRSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1cccnc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097256 702262524 /nfs/dbraw/zinc/26/25/24/702262524.db2.gz FRLLRAYAIIUXSF-RDJZCZTQSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1cccnc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097256 702262529 /nfs/dbraw/zinc/26/25/29/702262529.db2.gz FRLLRAYAIIUXSF-RDJZCZTQSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097711 702264418 /nfs/dbraw/zinc/26/44/18/702264418.db2.gz JZWMSKOMBIRJJV-SJCJKPOMSA-N 2 2 345.447 1.594 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097711 702264424 /nfs/dbraw/zinc/26/44/24/702264424.db2.gz JZWMSKOMBIRJJV-SJCJKPOMSA-N 2 2 345.447 1.594 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1)[NH+](C)C ZINC000995951810 702314501 /nfs/dbraw/zinc/31/45/01/702314501.db2.gz QDKVZYIPKDGONX-CHWSQXEVSA-N 2 2 325.482 1.205 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995982849 702342693 /nfs/dbraw/zinc/34/26/93/702342693.db2.gz QEKIHHATTJIHLI-KGLIPLIRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)o1 ZINC000995982849 702342701 /nfs/dbraw/zinc/34/27/01/702342701.db2.gz QEKIHHATTJIHLI-KGLIPLIRSA-N 2 2 335.452 1.189 20 0 EDADLP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1csnn1 ZINC000995999977 702380063 /nfs/dbraw/zinc/38/00/63/702380063.db2.gz VEDPWJFZQACZEM-CQSZACIVSA-N 2 2 349.504 1.493 20 0 EDADLP CC1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]Cc1ccon1 ZINC000996012013 702397810 /nfs/dbraw/zinc/39/78/10/702397810.db2.gz UDWIBVSVEPDUHQ-MRXNPFEDSA-N 2 2 339.399 1.963 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC000944168522 702408695 /nfs/dbraw/zinc/40/86/95/702408695.db2.gz JBGXFOYBMISGBT-ZIAGYGMSSA-N 2 2 347.463 1.054 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC000944168522 702408700 /nfs/dbraw/zinc/40/87/00/702408700.db2.gz JBGXFOYBMISGBT-ZIAGYGMSSA-N 2 2 347.463 1.054 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)n1 ZINC000996055687 702453252 /nfs/dbraw/zinc/45/32/52/702453252.db2.gz CNWCICQHAJQZRU-GXTWGEPZSA-N 2 2 346.435 1.471 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)n1 ZINC000996055689 702453527 /nfs/dbraw/zinc/45/35/27/702453527.db2.gz CNWCICQHAJQZRU-JSGCOSHPSA-N 2 2 346.435 1.471 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)nn1C ZINC000996104271 702524181 /nfs/dbraw/zinc/52/41/81/702524181.db2.gz CCSARXTXOVRPTN-MRXNPFEDSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996106172 702566977 /nfs/dbraw/zinc/56/69/77/702566977.db2.gz NKBBOHBQJOXMEN-INIZCTEOSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996249688 702652232 /nfs/dbraw/zinc/65/22/32/702652232.db2.gz QKVDKHUVIHEXNS-AWEZNQCLSA-N 2 2 335.452 1.046 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)o1 ZINC000996299971 702691018 /nfs/dbraw/zinc/69/10/18/702691018.db2.gz HWCRPUQHRHEUER-KBPBESRZSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)o1 ZINC000996299971 702691020 /nfs/dbraw/zinc/69/10/20/702691020.db2.gz HWCRPUQHRHEUER-KBPBESRZSA-N 2 2 349.479 1.443 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000996300237 702691931 /nfs/dbraw/zinc/69/19/31/702691931.db2.gz KSAODZFITQVZLW-CHWSQXEVSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000996300237 702691933 /nfs/dbraw/zinc/69/19/33/702691933.db2.gz KSAODZFITQVZLW-CHWSQXEVSA-N 2 2 337.493 1.349 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996357608 702734695 /nfs/dbraw/zinc/73/46/95/702734695.db2.gz ZNDPYUNANRUEQA-INIZCTEOSA-N 2 2 345.447 1.838 20 0 EDADLP CC1(C)CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1[NH2+]CC1CC1 ZINC000996376391 702742574 /nfs/dbraw/zinc/74/25/74/702742574.db2.gz OLQVBZQRXYWTHQ-QGZVFWFLSA-N 2 2 349.519 1.868 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399849 702756662 /nfs/dbraw/zinc/75/66/62/702756662.db2.gz TUPIXIXLCDOQIJ-YOEHRIQHSA-N 2 2 348.491 1.842 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399849 702756663 /nfs/dbraw/zinc/75/66/63/702756663.db2.gz TUPIXIXLCDOQIJ-YOEHRIQHSA-N 2 2 348.491 1.842 20 0 EDADLP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996515914 702851394 /nfs/dbraw/zinc/85/13/94/702851394.db2.gz WCFADBYLJDAAQJ-MRXNPFEDSA-N 2 2 342.447 1.088 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]CCC2CCOCC2)C(C)(C)C1 ZINC000996516468 702851703 /nfs/dbraw/zinc/85/17/03/702851703.db2.gz ZQXOJEVRDKEPNW-KRWDZBQOSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996562392 702876094 /nfs/dbraw/zinc/87/60/94/702876094.db2.gz KNXQROGJFMUKIF-INIZCTEOSA-N 2 2 345.447 1.892 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996559762 702877874 /nfs/dbraw/zinc/87/78/74/702877874.db2.gz AWVCJDLFCQRMOU-OAHLLOKOSA-N 2 2 330.436 1.021 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C(C)(C)C1 ZINC000996568545 702880440 /nfs/dbraw/zinc/88/04/40/702880440.db2.gz HJKKMVJWVLVOQF-DOTOQJQBSA-N 2 2 348.491 1.606 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC000996569517 702881321 /nfs/dbraw/zinc/88/13/21/702881321.db2.gz RSNRDGZJFKSQJN-IAGOWNOFSA-N 2 2 348.491 1.748 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996641296 702944619 /nfs/dbraw/zinc/94/46/19/702944619.db2.gz DFTJJKXJFSGTHV-UHFFFAOYSA-N 2 2 349.460 1.587 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000996685178 702982618 /nfs/dbraw/zinc/98/26/18/702982618.db2.gz PYRCTGOAUIACCT-ZIAGYGMSSA-N 2 2 329.404 1.590 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000996685178 702982621 /nfs/dbraw/zinc/98/26/21/702982621.db2.gz PYRCTGOAUIACCT-ZIAGYGMSSA-N 2 2 329.404 1.590 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996713406 703008567 /nfs/dbraw/zinc/00/85/67/703008567.db2.gz BNCNYIPVHHIXJL-UHFFFAOYSA-N 2 2 343.431 1.110 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]CC3CCOCC3)CC2)c[nH+]1 ZINC000996723759 703018840 /nfs/dbraw/zinc/01/88/40/703018840.db2.gz XQEGEDOAIFWBSL-UHFFFAOYSA-N 2 2 348.491 1.934 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)on1 ZINC000996731827 703028735 /nfs/dbraw/zinc/02/87/35/703028735.db2.gz MIRBIHDVYKKHKA-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996731944 703029020 /nfs/dbraw/zinc/02/90/20/703029020.db2.gz NKNBYROMZKYRDR-CRAIPNDOSA-N 2 2 346.475 1.595 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001032026899 703046387 /nfs/dbraw/zinc/04/63/87/703046387.db2.gz KLQSPCDIQWVSAP-INIZCTEOSA-N 2 2 336.505 1.954 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001032026899 703046390 /nfs/dbraw/zinc/04/63/90/703046390.db2.gz KLQSPCDIQWVSAP-INIZCTEOSA-N 2 2 336.505 1.954 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555145 703068064 /nfs/dbraw/zinc/06/80/64/703068064.db2.gz FDPYCVWCOZNKKB-HOCLYGCPSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555145 703068066 /nfs/dbraw/zinc/06/80/66/703068066.db2.gz FDPYCVWCOZNKKB-HOCLYGCPSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000942555808 703069483 /nfs/dbraw/zinc/06/94/83/703069483.db2.gz PWRKEZXMFOBURV-HIFRSBDPSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000942555808 703069486 /nfs/dbraw/zinc/06/94/86/703069486.db2.gz PWRKEZXMFOBURV-HIFRSBDPSA-N 2 2 349.479 1.579 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)O1 ZINC000996829122 703118192 /nfs/dbraw/zinc/11/81/92/703118192.db2.gz AWSKTGCIJXXFFY-ZBFHGGJFSA-N 2 2 334.464 1.501 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C(C)C)[C@@H](C(F)(F)F)C1 ZINC000996855585 703133809 /nfs/dbraw/zinc/13/38/09/703133809.db2.gz ITGRFCUTYXGUCX-NEPJUHHUSA-N 2 2 332.370 1.896 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C(F)(F)F)C1 ZINC000996859600 703143479 /nfs/dbraw/zinc/14/34/79/703143479.db2.gz PJRGJBIZGSTDQD-ZIAGYGMSSA-N 2 2 344.381 1.910 20 0 EDADLP Cc1csc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000996861519 703144705 /nfs/dbraw/zinc/14/47/05/703144705.db2.gz YCKLIJDKWSSKQJ-UHFFFAOYSA-N 2 2 333.461 1.819 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996866202 703147805 /nfs/dbraw/zinc/14/78/05/703147805.db2.gz XISYVOISPFKYAN-TZMCWYRMSA-N 2 2 344.381 1.599 20 0 EDADLP Cc1ccnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996976030 703241325 /nfs/dbraw/zinc/24/13/25/703241325.db2.gz AMVJUOGVCWKLAO-NVXWUHKLSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996976030 703241327 /nfs/dbraw/zinc/24/13/27/703241327.db2.gz AMVJUOGVCWKLAO-NVXWUHKLSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1nsc(C)c1C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997039140 703290252 /nfs/dbraw/zinc/29/02/52/703290252.db2.gz ANBAGSJPXARIMD-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001032378357 703342046 /nfs/dbraw/zinc/34/20/46/703342046.db2.gz AHLMKRPOWQZBDJ-KKUMJFAQSA-N 2 2 332.448 1.443 20 0 EDADLP CC1(C)CO[C@H](C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001032378357 703342048 /nfs/dbraw/zinc/34/20/48/703342048.db2.gz AHLMKRPOWQZBDJ-KKUMJFAQSA-N 2 2 332.448 1.443 20 0 EDADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CC[NH+](CCCO)CC1 ZINC000997220040 703498214 /nfs/dbraw/zinc/49/82/14/703498214.db2.gz RSQQGNARXSZBKD-CQSZACIVSA-N 2 2 330.432 1.547 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000997220635 703498758 /nfs/dbraw/zinc/49/87/58/703498758.db2.gz DPRAXSAMSXQQRT-RDTXWAMCSA-N 2 2 332.448 1.268 20 0 EDADLP Cc1nn(C)c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1Cl ZINC000921603943 703635141 /nfs/dbraw/zinc/63/51/41/703635141.db2.gz MAFUBUBBPTXJQJ-UHFFFAOYSA-N 2 2 348.882 1.819 20 0 EDADLP Cc1oncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032454413 703641164 /nfs/dbraw/zinc/64/11/64/703641164.db2.gz QTYYCONPXLCEEM-IKGGRYGDSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1oncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001032454413 703641165 /nfs/dbraw/zinc/64/11/65/703641165.db2.gz QTYYCONPXLCEEM-IKGGRYGDSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1oncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032454413 703641166 /nfs/dbraw/zinc/64/11/66/703641166.db2.gz QTYYCONPXLCEEM-IKGGRYGDSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1oncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032454413 703641167 /nfs/dbraw/zinc/64/11/67/703641167.db2.gz QTYYCONPXLCEEM-IKGGRYGDSA-N 2 2 332.448 1.643 20 0 EDADLP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997417759 703669484 /nfs/dbraw/zinc/66/94/84/703669484.db2.gz SVUOLWUGPATLSF-UHFFFAOYSA-N 2 2 331.420 1.523 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(COC)c1)[NH+](C)C ZINC001032474525 703694479 /nfs/dbraw/zinc/69/44/79/703694479.db2.gz BTUHEAINEQCAQG-GBESFXJTSA-N 2 2 345.487 1.958 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(COC)c1)[NH+](C)C ZINC001032474525 703694481 /nfs/dbraw/zinc/69/44/81/703694481.db2.gz BTUHEAINEQCAQG-GBESFXJTSA-N 2 2 345.487 1.958 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001032479856 703716957 /nfs/dbraw/zinc/71/69/57/703716957.db2.gz QWHHQFZWGMYJOF-SOUVJXGZSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001032479856 703716959 /nfs/dbraw/zinc/71/69/59/703716959.db2.gz QWHHQFZWGMYJOF-SOUVJXGZSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001032479856 703716961 /nfs/dbraw/zinc/71/69/61/703716961.db2.gz QWHHQFZWGMYJOF-SOUVJXGZSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001032479856 703716962 /nfs/dbraw/zinc/71/69/62/703716962.db2.gz QWHHQFZWGMYJOF-SOUVJXGZSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC000997556452 703828493 /nfs/dbraw/zinc/82/84/93/703828493.db2.gz KFJJXWDGUJZUOJ-OAHLLOKOSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC000997556452 703828494 /nfs/dbraw/zinc/82/84/94/703828494.db2.gz KFJJXWDGUJZUOJ-OAHLLOKOSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)o1 ZINC001033092311 704168617 /nfs/dbraw/zinc/16/86/17/704168617.db2.gz RGTFRJYGUJWYIE-UHOFOFEASA-N 2 2 334.464 1.664 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)o1 ZINC001033092311 704168619 /nfs/dbraw/zinc/16/86/19/704168619.db2.gz RGTFRJYGUJWYIE-UHOFOFEASA-N 2 2 334.464 1.664 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)o1 ZINC001033092311 704168623 /nfs/dbraw/zinc/16/86/23/704168623.db2.gz RGTFRJYGUJWYIE-UHOFOFEASA-N 2 2 334.464 1.664 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)o1 ZINC001033092311 704168626 /nfs/dbraw/zinc/16/86/26/704168626.db2.gz RGTFRJYGUJWYIE-UHOFOFEASA-N 2 2 334.464 1.664 20 0 EDADLP Cc1cnc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000922741175 704291515 /nfs/dbraw/zinc/29/15/15/704291515.db2.gz ZJFUZQXZRNBCEP-UHFFFAOYSA-N 2 2 326.448 1.530 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999301848 706804878 /nfs/dbraw/zinc/80/48/78/706804878.db2.gz CYSQHOWJEMQECI-UKRRQHHQSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999301848 706804880 /nfs/dbraw/zinc/80/48/80/706804880.db2.gz CYSQHOWJEMQECI-UKRRQHHQSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000999303044 706806833 /nfs/dbraw/zinc/80/68/33/706806833.db2.gz HJJMTTUZQDFQLZ-HOTGVXAUSA-N 2 2 334.464 1.938 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000999303044 706806835 /nfs/dbraw/zinc/80/68/35/706806835.db2.gz HJJMTTUZQDFQLZ-HOTGVXAUSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C)s1 ZINC000947936286 704662630 /nfs/dbraw/zinc/66/26/30/704662630.db2.gz USNIMENRMGWAIR-TZMCWYRMSA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C)s1 ZINC000947936286 704662631 /nfs/dbraw/zinc/66/26/31/704662631.db2.gz USNIMENRMGWAIR-TZMCWYRMSA-N 2 2 349.504 1.411 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1F ZINC001032551576 704692836 /nfs/dbraw/zinc/69/28/36/704692836.db2.gz WWJKHNMPVVJILV-IRXDYDNUSA-N 2 2 342.418 1.940 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1F ZINC001032551576 704692838 /nfs/dbraw/zinc/69/28/38/704692838.db2.gz WWJKHNMPVVJILV-IRXDYDNUSA-N 2 2 342.418 1.940 20 0 EDADLP Cn1ccnc1C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000997816692 704738140 /nfs/dbraw/zinc/73/81/40/704738140.db2.gz JJKLZCXIJXXRGY-UHFFFAOYSA-N 2 2 330.436 1.104 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)c[nH+]1 ZINC000997860399 704769184 /nfs/dbraw/zinc/76/91/84/704769184.db2.gz PSHCHJYBGJLERK-UHFFFAOYSA-N 2 2 346.435 1.338 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944942974 704795540 /nfs/dbraw/zinc/79/55/40/704795540.db2.gz DRPVBZMRGFDLAG-HOCLYGCPSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944942974 704795541 /nfs/dbraw/zinc/79/55/41/704795541.db2.gz DRPVBZMRGFDLAG-HOCLYGCPSA-N 2 2 334.464 1.659 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945871 704798985 /nfs/dbraw/zinc/79/89/85/704798985.db2.gz SVBHFJLDPWPGFB-CVEARBPZSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945871 704798988 /nfs/dbraw/zinc/79/89/88/704798988.db2.gz SVBHFJLDPWPGFB-CVEARBPZSA-N 2 2 333.480 1.325 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnoc2C)C1 ZINC001032581559 705005887 /nfs/dbraw/zinc/00/58/87/705005887.db2.gz YLTXRHXYEKQGED-SZMVWBNQSA-N 2 2 346.475 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnoc2C)C1 ZINC001032581559 705005894 /nfs/dbraw/zinc/00/58/94/705005894.db2.gz YLTXRHXYEKQGED-SZMVWBNQSA-N 2 2 346.475 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnoc2C)C1 ZINC001032581559 705005899 /nfs/dbraw/zinc/00/58/99/705005899.db2.gz YLTXRHXYEKQGED-SZMVWBNQSA-N 2 2 346.475 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnoc2C)C1 ZINC001032581559 705005905 /nfs/dbraw/zinc/00/59/05/705005905.db2.gz YLTXRHXYEKQGED-SZMVWBNQSA-N 2 2 346.475 1.890 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nnc(C)o2)CC1 ZINC000997948131 705069194 /nfs/dbraw/zinc/06/91/94/705069194.db2.gz GMHLKKHDWBVUGG-HZPDHXFCSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nnc(C)o2)CC1 ZINC000997948131 705069201 /nfs/dbraw/zinc/06/92/01/705069201.db2.gz GMHLKKHDWBVUGG-HZPDHXFCSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000997948131 705069207 /nfs/dbraw/zinc/06/92/07/705069207.db2.gz GMHLKKHDWBVUGG-HZPDHXFCSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000997948131 705069214 /nfs/dbraw/zinc/06/92/14/705069214.db2.gz GMHLKKHDWBVUGG-HZPDHXFCSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ncnn2C)CC1 ZINC000997951514 705070174 /nfs/dbraw/zinc/07/01/74/705070174.db2.gz YJBGNQWEGUOLAB-HZPDHXFCSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ncnn2C)CC1 ZINC000997951514 705070180 /nfs/dbraw/zinc/07/01/80/705070180.db2.gz YJBGNQWEGUOLAB-HZPDHXFCSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ncnn2C)CC1 ZINC000997951514 705070186 /nfs/dbraw/zinc/07/01/86/705070186.db2.gz YJBGNQWEGUOLAB-HZPDHXFCSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ncnn2C)CC1 ZINC000997951514 705070192 /nfs/dbraw/zinc/07/01/92/705070192.db2.gz YJBGNQWEGUOLAB-HZPDHXFCSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ncnn2C)CC1 ZINC000997951516 705070539 /nfs/dbraw/zinc/07/05/39/705070539.db2.gz YJBGNQWEGUOLAB-JKSUJKDBSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ncnn2C)CC1 ZINC000997951516 705070546 /nfs/dbraw/zinc/07/05/46/705070546.db2.gz YJBGNQWEGUOLAB-JKSUJKDBSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2ncnn2C)CC1 ZINC000997951516 705070552 /nfs/dbraw/zinc/07/05/52/705070552.db2.gz YJBGNQWEGUOLAB-JKSUJKDBSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2ncnn2C)CC1 ZINC000997951516 705070559 /nfs/dbraw/zinc/07/05/59/705070559.db2.gz YJBGNQWEGUOLAB-JKSUJKDBSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC000997962577 705097434 /nfs/dbraw/zinc/09/74/34/705097434.db2.gz VJJYXHPONKOFDF-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000997962577 705097439 /nfs/dbraw/zinc/09/74/39/705097439.db2.gz VJJYXHPONKOFDF-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000997962577 705097444 /nfs/dbraw/zinc/09/74/44/705097444.db2.gz VJJYXHPONKOFDF-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000997962577 705097449 /nfs/dbraw/zinc/09/74/49/705097449.db2.gz VJJYXHPONKOFDF-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998017815 705196546 /nfs/dbraw/zinc/19/65/46/705196546.db2.gz UWQLGPOERRUCPP-KRWDZBQOSA-N 2 2 344.459 1.952 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998017815 705196550 /nfs/dbraw/zinc/19/65/50/705196550.db2.gz UWQLGPOERRUCPP-KRWDZBQOSA-N 2 2 344.459 1.952 20 0 EDADLP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C[NH+](C)C)OC ZINC001032592741 705199796 /nfs/dbraw/zinc/19/97/96/705199796.db2.gz SSYWANHMGJPWBX-HRCADAONSA-N 2 2 335.448 1.665 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000998121782 705374552 /nfs/dbraw/zinc/37/45/52/705374552.db2.gz VVOCELDESHSDQL-LLVKDONJSA-N 2 2 332.408 1.233 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)c1ncccn1 ZINC000998120831 705380723 /nfs/dbraw/zinc/38/07/23/705380723.db2.gz RXAWCIMRODEKCC-CYBMUJFWSA-N 2 2 328.420 1.332 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998137831 705402878 /nfs/dbraw/zinc/40/28/78/705402878.db2.gz AMUFTEUFEMBYQF-GFCCVEGCSA-N 2 2 348.476 1.468 20 0 EDADLP Cc1ccnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC000998223988 705552413 /nfs/dbraw/zinc/55/24/13/705552413.db2.gz UUNYCWPQOQJHBK-UHFFFAOYSA-N 2 2 342.447 1.089 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)o1 ZINC000998252888 705607676 /nfs/dbraw/zinc/60/76/76/705607676.db2.gz DBKKOZICBGYCPM-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998256299 705617540 /nfs/dbraw/zinc/61/75/40/705617540.db2.gz VTMIDSCYZHUAQC-GOSISDBHSA-N 2 2 348.491 1.750 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998256460 705617739 /nfs/dbraw/zinc/61/77/39/705617739.db2.gz XTJHWZPJVFZMGT-UHFFFAOYSA-N 2 2 348.476 1.233 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000998554527 705989433 /nfs/dbraw/zinc/98/94/33/705989433.db2.gz YNBLEVRPHUBKBE-ILDUYXDCSA-N 2 2 343.378 1.180 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000998554527 705989435 /nfs/dbraw/zinc/98/94/35/705989435.db2.gz YNBLEVRPHUBKBE-ILDUYXDCSA-N 2 2 343.378 1.180 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC000999035152 706450145 /nfs/dbraw/zinc/45/01/45/706450145.db2.gz MXZDHBVTQCZUPN-HNNXBMFYSA-N 2 2 343.431 1.527 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)o1 ZINC000999376279 706870338 /nfs/dbraw/zinc/87/03/38/706870338.db2.gz VTFRBPBQFDIBKY-GJZGRUSLSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999365614 706879365 /nfs/dbraw/zinc/87/93/65/706879365.db2.gz QGQJQOBUTHBGDJ-GXTWGEPZSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999365614 706879369 /nfs/dbraw/zinc/87/93/69/706879369.db2.gz QGQJQOBUTHBGDJ-GXTWGEPZSA-N 2 2 335.452 1.504 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999469388 706978644 /nfs/dbraw/zinc/97/86/44/706978644.db2.gz LQZJGWWAHDZZRL-BDVYOWHSSA-N 2 2 328.416 1.265 20 0 EDADLP Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)n1 ZINC000999502607 707000124 /nfs/dbraw/zinc/00/01/24/707000124.db2.gz JZMHPRPERIZRDX-HNNXBMFYSA-N 2 2 338.415 1.691 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000999537752 707038250 /nfs/dbraw/zinc/03/82/50/707038250.db2.gz UEVBBKANAHBLMJ-GOEBONIOSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999537790 707038884 /nfs/dbraw/zinc/03/88/84/707038884.db2.gz UPPZOHVUAAHUPR-GOEBONIOSA-N 2 2 343.431 1.523 20 0 EDADLP CCn1cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)nn1 ZINC001005012767 707115426 /nfs/dbraw/zinc/11/54/26/707115426.db2.gz XCRUPVLGNMDQFR-ZBFHGGJFSA-N 2 2 345.451 1.054 20 0 EDADLP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)cn1 ZINC000999698642 707225146 /nfs/dbraw/zinc/22/51/46/707225146.db2.gz SJWSGMUXXDPHJL-UHFFFAOYSA-N 2 2 342.447 1.565 20 0 EDADLP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000999700042 707228279 /nfs/dbraw/zinc/22/82/79/707228279.db2.gz UBNBEXGXERHIOJ-UHFFFAOYSA-N 2 2 344.419 1.232 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC000999715781 707253981 /nfs/dbraw/zinc/25/39/81/707253981.db2.gz WRAABBDOFKLBHC-OAHLLOKOSA-N 2 2 345.451 1.145 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)[nH]1 ZINC000999726850 707269682 /nfs/dbraw/zinc/26/96/82/707269682.db2.gz PFFFSFLGGAMESR-KGLIPLIRSA-N 2 2 345.451 1.214 20 0 EDADLP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999791913 707362958 /nfs/dbraw/zinc/36/29/58/707362958.db2.gz LHHLMDQGSVWOPF-HOCLYGCPSA-N 2 2 349.504 1.493 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC000999838733 707410643 /nfs/dbraw/zinc/41/06/43/707410643.db2.gz WNCZBUBFPCRPMX-UHFFFAOYSA-N 2 2 346.435 1.477 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](CC[C@H]3CCOC3)C2)c[nH+]1 ZINC001033192907 707422579 /nfs/dbraw/zinc/42/25/79/707422579.db2.gz QZPZTJBZEYLOSA-DLBZAZTESA-N 2 2 348.491 1.886 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)c[nH+]1 ZINC001033192907 707422583 /nfs/dbraw/zinc/42/25/83/707422583.db2.gz QZPZTJBZEYLOSA-DLBZAZTESA-N 2 2 348.491 1.886 20 0 EDADLP Cn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946800740 707452473 /nfs/dbraw/zinc/45/24/73/707452473.db2.gz JITNWSSMKWMIHA-GASCZTMLSA-N 2 2 342.447 1.056 20 0 EDADLP Cn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946800740 707452476 /nfs/dbraw/zinc/45/24/76/707452476.db2.gz JITNWSSMKWMIHA-GASCZTMLSA-N 2 2 342.447 1.056 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)no1 ZINC000999832322 707463098 /nfs/dbraw/zinc/46/30/98/707463098.db2.gz DZUKRFIUYFWEFN-UHFFFAOYSA-N 2 2 335.452 1.197 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC000999836244 707471841 /nfs/dbraw/zinc/47/18/41/707471841.db2.gz JULALCSSHCFPHD-GWMXKSKGSA-N 2 2 332.408 1.223 20 0 EDADLP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)n1 ZINC000925368746 707545890 /nfs/dbraw/zinc/54/58/90/707545890.db2.gz FINMQXXVHBOKKE-JSGCOSHPSA-N 2 2 344.467 1.758 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC000999971577 707582063 /nfs/dbraw/zinc/58/20/63/707582063.db2.gz CAWBYYOIKPSYJG-JKSUJKDBSA-N 2 2 349.479 1.581 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C)no3)C2)C1 ZINC000999971577 707582066 /nfs/dbraw/zinc/58/20/66/707582066.db2.gz CAWBYYOIKPSYJG-JKSUJKDBSA-N 2 2 349.479 1.581 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203820 707603528 /nfs/dbraw/zinc/60/35/28/707603528.db2.gz TWDLGKSDFLLBBQ-GDBMZVCRSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203820 707603530 /nfs/dbraw/zinc/60/35/30/707603530.db2.gz TWDLGKSDFLLBBQ-GDBMZVCRSA-N 2 2 343.431 1.475 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033207204 707639092 /nfs/dbraw/zinc/63/90/92/707639092.db2.gz JTOSAHBNXJNAJI-IAGOWNOFSA-N 2 2 339.443 1.573 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033207204 707639094 /nfs/dbraw/zinc/63/90/94/707639094.db2.gz JTOSAHBNXJNAJI-IAGOWNOFSA-N 2 2 339.443 1.573 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033360441 707688366 /nfs/dbraw/zinc/68/83/66/707688366.db2.gz JGAITOPJUYFCSE-JYJNAYRXSA-N 2 2 348.495 1.061 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033360441 707688371 /nfs/dbraw/zinc/68/83/71/707688371.db2.gz JGAITOPJUYFCSE-JYJNAYRXSA-N 2 2 348.495 1.061 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033360441 707688376 /nfs/dbraw/zinc/68/83/76/707688376.db2.gz JGAITOPJUYFCSE-JYJNAYRXSA-N 2 2 348.495 1.061 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033360441 707688382 /nfs/dbraw/zinc/68/83/82/707688382.db2.gz JGAITOPJUYFCSE-JYJNAYRXSA-N 2 2 348.495 1.061 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004958703 707713687 /nfs/dbraw/zinc/71/36/87/707713687.db2.gz WXOJNPSSLYMRNU-PBHICJAKSA-N 2 2 344.463 1.554 20 0 EDADLP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033392111 707725199 /nfs/dbraw/zinc/72/51/99/707725199.db2.gz ZAOCHIYQIUEBAF-QGZVFWFLSA-N 2 2 334.439 1.595 20 0 EDADLP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033392111 707725202 /nfs/dbraw/zinc/72/52/02/707725202.db2.gz ZAOCHIYQIUEBAF-QGZVFWFLSA-N 2 2 334.439 1.595 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)o1 ZINC001032731930 707735413 /nfs/dbraw/zinc/73/54/13/707735413.db2.gz SUAOEZSVEHVAQR-PMPSAXMXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)o1 ZINC001032731930 707735419 /nfs/dbraw/zinc/73/54/19/707735419.db2.gz SUAOEZSVEHVAQR-PMPSAXMXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001032731930 707735424 /nfs/dbraw/zinc/73/54/24/707735424.db2.gz SUAOEZSVEHVAQR-PMPSAXMXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001032731930 707735428 /nfs/dbraw/zinc/73/54/28/707735428.db2.gz SUAOEZSVEHVAQR-PMPSAXMXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733603 707741432 /nfs/dbraw/zinc/74/14/32/707741432.db2.gz CJADLXIEINJAEE-GJZGRUSLSA-N 2 2 344.459 1.426 20 0 EDADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733603 707741434 /nfs/dbraw/zinc/74/14/34/707741434.db2.gz CJADLXIEINJAEE-GJZGRUSLSA-N 2 2 344.459 1.426 20 0 EDADLP CC[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1)OC ZINC001033220255 707782424 /nfs/dbraw/zinc/78/24/24/707782424.db2.gz MGZMLJYUYXCOBF-ZIAGYGMSSA-N 2 2 338.452 1.308 20 0 EDADLP CC[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1)OC ZINC001033220255 707782430 /nfs/dbraw/zinc/78/24/30/707782430.db2.gz MGZMLJYUYXCOBF-ZIAGYGMSSA-N 2 2 338.452 1.308 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccnn1C ZINC001004991828 707856976 /nfs/dbraw/zinc/85/69/76/707856976.db2.gz LVICDAOPMIZAOG-PBHICJAKSA-N 2 2 344.463 1.554 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cccs1 ZINC001032759672 707869841 /nfs/dbraw/zinc/86/98/41/707869841.db2.gz YCMJIHCQSJQFDF-HOTGVXAUSA-N 2 2 344.484 1.942 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cccs1 ZINC001032759672 707869845 /nfs/dbraw/zinc/86/98/45/707869845.db2.gz YCMJIHCQSJQFDF-HOTGVXAUSA-N 2 2 344.484 1.942 20 0 EDADLP CN(C)c1cc(C[N@@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)ccn1 ZINC001033451891 707894421 /nfs/dbraw/zinc/89/44/21/707894421.db2.gz GUICHRWPAAZBGZ-INIZCTEOSA-N 2 2 342.447 1.146 20 0 EDADLP CN(C)c1cc(C[N@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)ccn1 ZINC001033451891 707894422 /nfs/dbraw/zinc/89/44/22/707894422.db2.gz GUICHRWPAAZBGZ-INIZCTEOSA-N 2 2 342.447 1.146 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cs1 ZINC001033452429 707895738 /nfs/dbraw/zinc/89/57/38/707895738.db2.gz KWKVAONEZJDTOS-HNNXBMFYSA-N 2 2 333.461 1.493 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cs1 ZINC001033452429 707895739 /nfs/dbraw/zinc/89/57/39/707895739.db2.gz KWKVAONEZJDTOS-HNNXBMFYSA-N 2 2 333.461 1.493 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)no1 ZINC001004998745 707896432 /nfs/dbraw/zinc/89/64/32/707896432.db2.gz BVZHEPQOGVFPSH-GOEBONIOSA-N 2 2 331.420 1.739 20 0 EDADLP Cn1nc2c(c1C[NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)COCC2 ZINC000921738576 707931729 /nfs/dbraw/zinc/93/17/29/707931729.db2.gz RVWMXIZMTOSSET-OAHLLOKOSA-N 2 2 334.464 1.226 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC001060944366 708010487 /nfs/dbraw/zinc/01/04/87/708010487.db2.gz KJAGRBHKSMPNMX-HNNXBMFYSA-N 2 2 328.420 1.559 20 0 EDADLP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033582191 708264731 /nfs/dbraw/zinc/26/47/31/708264731.db2.gz HXQBWSYQHWVFCB-GOEBONIOSA-N 2 2 343.431 1.449 20 0 EDADLP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033582191 708264733 /nfs/dbraw/zinc/26/47/33/708264733.db2.gz HXQBWSYQHWVFCB-GOEBONIOSA-N 2 2 343.431 1.449 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)cc[nH+]1 ZINC001061028058 708359852 /nfs/dbraw/zinc/35/98/52/708359852.db2.gz CHXLLEJQYCDKTL-OAHLLOKOSA-N 2 2 329.448 1.674 20 0 EDADLP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001033683898 708495661 /nfs/dbraw/zinc/49/56/61/708495661.db2.gz ICIJEVFNZUGXPH-UKRRQHHQSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001033683898 708495662 /nfs/dbraw/zinc/49/56/62/708495662.db2.gz ICIJEVFNZUGXPH-UKRRQHHQSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@@H](O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001033683898 708495663 /nfs/dbraw/zinc/49/56/63/708495663.db2.gz ICIJEVFNZUGXPH-UKRRQHHQSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@@H](O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001033683898 708495664 /nfs/dbraw/zinc/49/56/64/708495664.db2.gz ICIJEVFNZUGXPH-UKRRQHHQSA-N 2 2 337.489 1.020 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC001033703441 708532367 /nfs/dbraw/zinc/53/23/67/708532367.db2.gz DOGZZUHBWHZLDZ-CQSZACIVSA-N 2 2 340.387 1.152 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC001033703441 708532370 /nfs/dbraw/zinc/53/23/70/708532370.db2.gz DOGZZUHBWHZLDZ-CQSZACIVSA-N 2 2 340.387 1.152 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c(C)n1 ZINC001033707816 708540346 /nfs/dbraw/zinc/54/03/46/708540346.db2.gz VCIHGOOSMIZXJY-QGZVFWFLSA-N 2 2 327.432 1.628 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c(C)n1 ZINC001033707816 708540349 /nfs/dbraw/zinc/54/03/49/708540349.db2.gz VCIHGOOSMIZXJY-QGZVFWFLSA-N 2 2 327.432 1.628 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC001002160669 708674504 /nfs/dbraw/zinc/67/45/04/708674504.db2.gz ZCBZQNMIGPHVGN-QGZVFWFLSA-N 2 2 348.495 1.018 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cnn(C)n2)CC1 ZINC001002160669 708674506 /nfs/dbraw/zinc/67/45/06/708674506.db2.gz ZCBZQNMIGPHVGN-QGZVFWFLSA-N 2 2 348.495 1.018 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001033788395 708698425 /nfs/dbraw/zinc/69/84/25/708698425.db2.gz GLWMFVATYUGPLD-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001033788395 708698428 /nfs/dbraw/zinc/69/84/28/708698428.db2.gz GLWMFVATYUGPLD-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001033788395 708698431 /nfs/dbraw/zinc/69/84/31/708698431.db2.gz GLWMFVATYUGPLD-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001033788395 708698434 /nfs/dbraw/zinc/69/84/34/708698434.db2.gz GLWMFVATYUGPLD-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001033790711 708715688 /nfs/dbraw/zinc/71/56/88/708715688.db2.gz XCXBEKOMEIKKNC-FUHWJXTLSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001033790711 708715690 /nfs/dbraw/zinc/71/56/90/708715690.db2.gz XCXBEKOMEIKKNC-FUHWJXTLSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001033790711 708715692 /nfs/dbraw/zinc/71/56/92/708715692.db2.gz XCXBEKOMEIKKNC-FUHWJXTLSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001033790711 708715694 /nfs/dbraw/zinc/71/56/94/708715694.db2.gz XCXBEKOMEIKKNC-FUHWJXTLSA-N 2 2 349.450 1.579 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](Cc3ccon3)C2)CC[N@@H+]1C ZINC001033833936 708860410 /nfs/dbraw/zinc/86/04/10/708860410.db2.gz AYIOZSPAUGTBRO-IXDOHACOSA-N 2 2 334.464 1.828 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](Cc3ccon3)C2)CC[N@H+]1C ZINC001033833936 708860413 /nfs/dbraw/zinc/86/04/13/708860413.db2.gz AYIOZSPAUGTBRO-IXDOHACOSA-N 2 2 334.464 1.828 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccon3)C2)CC[NH+]1C ZINC001033833936 708860416 /nfs/dbraw/zinc/86/04/16/708860416.db2.gz AYIOZSPAUGTBRO-IXDOHACOSA-N 2 2 334.464 1.828 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccon3)C2)CC[NH+]1C ZINC001033833936 708860419 /nfs/dbraw/zinc/86/04/19/708860419.db2.gz AYIOZSPAUGTBRO-IXDOHACOSA-N 2 2 334.464 1.828 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001033878572 708948730 /nfs/dbraw/zinc/94/87/30/708948730.db2.gz LTOYBWUFJQJACY-ZIAGYGMSSA-N 2 2 338.452 1.308 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001033878572 708948732 /nfs/dbraw/zinc/94/87/32/708948732.db2.gz LTOYBWUFJQJACY-ZIAGYGMSSA-N 2 2 338.452 1.308 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001033942089 709149019 /nfs/dbraw/zinc/14/90/19/709149019.db2.gz WTFIRBAYKXTDGD-BBRMVZONSA-N 2 2 349.479 1.704 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC001033942089 709149020 /nfs/dbraw/zinc/14/90/20/709149020.db2.gz WTFIRBAYKXTDGD-BBRMVZONSA-N 2 2 349.479 1.704 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001034012792 709226363 /nfs/dbraw/zinc/22/63/63/709226363.db2.gz JRGMRKCFWABOEZ-OAHLLOKOSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001034012792 709226364 /nfs/dbraw/zinc/22/63/64/709226364.db2.gz JRGMRKCFWABOEZ-OAHLLOKOSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001034039746 709272617 /nfs/dbraw/zinc/27/26/17/709272617.db2.gz LMELZKAGXWRQIH-WMZOPIPTSA-N 2 2 347.507 1.839 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001034039746 709272619 /nfs/dbraw/zinc/27/26/19/709272619.db2.gz LMELZKAGXWRQIH-WMZOPIPTSA-N 2 2 347.507 1.839 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccn(C(C)C)n2)C1 ZINC001034039746 709272621 /nfs/dbraw/zinc/27/26/21/709272621.db2.gz LMELZKAGXWRQIH-WMZOPIPTSA-N 2 2 347.507 1.839 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccn(C(C)C)n2)C1 ZINC001034039746 709272624 /nfs/dbraw/zinc/27/26/24/709272624.db2.gz LMELZKAGXWRQIH-WMZOPIPTSA-N 2 2 347.507 1.839 20 0 EDADLP CCn1nnc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034139892 709390050 /nfs/dbraw/zinc/39/00/50/709390050.db2.gz WITQEEGQEQGTPV-HOTGVXAUSA-N 2 2 348.495 1.171 20 0 EDADLP CCn1nnc(C)c1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034139892 709390052 /nfs/dbraw/zinc/39/00/52/709390052.db2.gz WITQEEGQEQGTPV-HOTGVXAUSA-N 2 2 348.495 1.171 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034139892 709390054 /nfs/dbraw/zinc/39/00/54/709390054.db2.gz WITQEEGQEQGTPV-HOTGVXAUSA-N 2 2 348.495 1.171 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034139892 709390057 /nfs/dbraw/zinc/39/00/57/709390057.db2.gz WITQEEGQEQGTPV-HOTGVXAUSA-N 2 2 348.495 1.171 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC001002793099 709401092 /nfs/dbraw/zinc/40/10/92/709401092.db2.gz SFDTYFCKWBINRJ-KRWDZBQOSA-N 2 2 345.491 1.738 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC001002793099 709401095 /nfs/dbraw/zinc/40/10/95/709401095.db2.gz SFDTYFCKWBINRJ-KRWDZBQOSA-N 2 2 345.491 1.738 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832803 709443672 /nfs/dbraw/zinc/44/36/72/709443672.db2.gz MQVRQELUVVIJMB-WMLDXEAASA-N 2 2 343.475 1.460 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832809 709443679 /nfs/dbraw/zinc/44/36/79/709443679.db2.gz MQVRQELUVVIJMB-YOEHRIQHSA-N 2 2 343.475 1.460 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000922029934 709457575 /nfs/dbraw/zinc/45/75/75/709457575.db2.gz TZHZWWCNNYDANH-SJORKVTESA-N 2 2 343.537 1.464 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000922029934 709457577 /nfs/dbraw/zinc/45/75/77/709457577.db2.gz TZHZWWCNNYDANH-SJORKVTESA-N 2 2 343.537 1.464 20 0 EDADLP CC(C)C[C@@H]1C[NH+](C)CCN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000922029934 709457579 /nfs/dbraw/zinc/45/75/79/709457579.db2.gz TZHZWWCNNYDANH-SJORKVTESA-N 2 2 343.537 1.464 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ncc(C)o3)CC2)CC[N@@H+]1C ZINC001002858869 709466793 /nfs/dbraw/zinc/46/67/93/709466793.db2.gz HZXFGVFNKFMSFQ-JKSUJKDBSA-N 2 2 334.464 1.794 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ncc(C)o3)CC2)CC[N@H+]1C ZINC001002858869 709466795 /nfs/dbraw/zinc/46/67/95/709466795.db2.gz HZXFGVFNKFMSFQ-JKSUJKDBSA-N 2 2 334.464 1.794 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034205328 709528470 /nfs/dbraw/zinc/52/84/70/709528470.db2.gz VLOGEOFKHFAGMV-FUHWJXTLSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034205328 709528473 /nfs/dbraw/zinc/52/84/73/709528473.db2.gz VLOGEOFKHFAGMV-FUHWJXTLSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034205328 709528475 /nfs/dbraw/zinc/52/84/75/709528475.db2.gz VLOGEOFKHFAGMV-FUHWJXTLSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034205328 709528477 /nfs/dbraw/zinc/52/84/77/709528477.db2.gz VLOGEOFKHFAGMV-FUHWJXTLSA-N 2 2 347.507 1.764 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001002956597 709659917 /nfs/dbraw/zinc/65/99/17/709659917.db2.gz WSHRRTXRUDFFEO-DOTOQJQBSA-N 2 2 345.491 1.993 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC001002956597 709659920 /nfs/dbraw/zinc/65/99/20/709659920.db2.gz WSHRRTXRUDFFEO-DOTOQJQBSA-N 2 2 345.491 1.993 20 0 EDADLP Cn1nccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034278122 709693751 /nfs/dbraw/zinc/69/37/51/709693751.db2.gz VTLMWHCFBSSENN-DOTOQJQBSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1nccc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034278122 709693753 /nfs/dbraw/zinc/69/37/53/709693753.db2.gz VTLMWHCFBSSENN-DOTOQJQBSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1nccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034278122 709693755 /nfs/dbraw/zinc/69/37/55/709693755.db2.gz VTLMWHCFBSSENN-DOTOQJQBSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1nccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034278122 709693756 /nfs/dbraw/zinc/69/37/56/709693756.db2.gz VTLMWHCFBSSENN-DOTOQJQBSA-N 2 2 333.480 1.375 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034312240 709758204 /nfs/dbraw/zinc/75/82/04/709758204.db2.gz NUNHVVXAMZQLBZ-OAHLLOKOSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034312240 709758206 /nfs/dbraw/zinc/75/82/06/709758206.db2.gz NUNHVVXAMZQLBZ-OAHLLOKOSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc[nH+]1 ZINC001061233090 709870687 /nfs/dbraw/zinc/87/06/87/709870687.db2.gz FQXSEYCGERPMTQ-IAGOWNOFSA-N 2 2 343.475 1.554 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034400974 709945178 /nfs/dbraw/zinc/94/51/78/709945178.db2.gz YYXTXGODWVKIBM-JKSUJKDBSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034400974 709945180 /nfs/dbraw/zinc/94/51/80/709945180.db2.gz YYXTXGODWVKIBM-JKSUJKDBSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034400974 709945184 /nfs/dbraw/zinc/94/51/84/709945184.db2.gz YYXTXGODWVKIBM-JKSUJKDBSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034400974 709945188 /nfs/dbraw/zinc/94/51/88/709945188.db2.gz YYXTXGODWVKIBM-JKSUJKDBSA-N 2 2 333.480 1.375 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001003158919 710066945 /nfs/dbraw/zinc/06/69/45/710066945.db2.gz JVPRZENLHZKRDY-SFHVURJKSA-N 2 2 345.491 1.394 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001003158919 710066949 /nfs/dbraw/zinc/06/69/49/710066949.db2.gz JVPRZENLHZKRDY-SFHVURJKSA-N 2 2 345.491 1.394 20 0 EDADLP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470939 710103448 /nfs/dbraw/zinc/10/34/48/710103448.db2.gz YOLFVFWWVJXZST-DOTOQJQBSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470939 710103449 /nfs/dbraw/zinc/10/34/49/710103449.db2.gz YOLFVFWWVJXZST-DOTOQJQBSA-N 2 2 342.443 1.837 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)no1 ZINC001034493453 710115646 /nfs/dbraw/zinc/11/56/46/710115646.db2.gz SLRQLZGIZGQHGK-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)no1 ZINC001034493453 710115649 /nfs/dbraw/zinc/11/56/49/710115649.db2.gz SLRQLZGIZGQHGK-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)no1 ZINC001034493453 710115653 /nfs/dbraw/zinc/11/56/53/710115653.db2.gz SLRQLZGIZGQHGK-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)no1 ZINC001034493453 710115657 /nfs/dbraw/zinc/11/56/57/710115657.db2.gz SLRQLZGIZGQHGK-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000922163071 710303307 /nfs/dbraw/zinc/30/33/07/710303307.db2.gz KFMKUDIWNAKJLE-MRXNPFEDSA-N 2 2 336.505 1.874 20 0 EDADLP CC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000922163071 710303310 /nfs/dbraw/zinc/30/33/10/710303310.db2.gz KFMKUDIWNAKJLE-MRXNPFEDSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC001003492212 710374860 /nfs/dbraw/zinc/37/48/60/710374860.db2.gz KTKOAFLFJVMKCF-GUTXKFCHSA-N 2 2 348.495 1.485 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC001003492212 710374861 /nfs/dbraw/zinc/37/48/61/710374861.db2.gz KTKOAFLFJVMKCF-GUTXKFCHSA-N 2 2 348.495 1.485 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001003775817 710544773 /nfs/dbraw/zinc/54/47/73/710544773.db2.gz BAXWTVYXDYGXKM-HOCLYGCPSA-N 2 2 349.504 1.636 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001003775817 710544774 /nfs/dbraw/zinc/54/47/74/710544774.db2.gz BAXWTVYXDYGXKM-HOCLYGCPSA-N 2 2 349.504 1.636 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001034675404 710627955 /nfs/dbraw/zinc/62/79/55/710627955.db2.gz SEAAWAIXUNKPGB-YVSFHVDLSA-N 2 2 346.475 1.499 20 0 EDADLP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3ncccn3)CC2)CC1 ZINC001003840796 710650788 /nfs/dbraw/zinc/65/07/88/710650788.db2.gz DDBAAQUQDUIVFS-UHFFFAOYSA-N 2 2 331.464 1.289 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1)C2 ZINC001034679862 710675386 /nfs/dbraw/zinc/67/53/86/710675386.db2.gz WJOPQCIYHPMOTL-MXAVVETBSA-N 2 2 334.464 1.221 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1)CC2 ZINC001034679862 710675388 /nfs/dbraw/zinc/67/53/88/710675388.db2.gz WJOPQCIYHPMOTL-MXAVVETBSA-N 2 2 334.464 1.221 20 0 EDADLP CN(C)c1ccccc1C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001003842728 710679071 /nfs/dbraw/zinc/67/90/71/710679071.db2.gz PPXYFZXWLMBZOW-UHFFFAOYSA-N 2 2 341.459 1.799 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005616008 710723752 /nfs/dbraw/zinc/72/37/52/710723752.db2.gz GDDOXRYJWWGJHX-HUUCEWRRSA-N 2 2 334.464 1.403 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC001034693293 710783235 /nfs/dbraw/zinc/78/32/35/710783235.db2.gz WBVQMVLUBGMOID-SHTZXODSSA-N 2 2 345.447 1.959 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC001034735842 710922217 /nfs/dbraw/zinc/92/22/17/710922217.db2.gz NHQUZPWEDAUSPP-KKUMJFAQSA-N 2 2 349.479 1.633 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)no1 ZINC001034735842 710922221 /nfs/dbraw/zinc/92/22/21/710922221.db2.gz NHQUZPWEDAUSPP-KKUMJFAQSA-N 2 2 349.479 1.633 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC001034786952 711091921 /nfs/dbraw/zinc/09/19/21/711091921.db2.gz ULXADDRAAUTLJB-SHTZXODSSA-N 2 2 344.463 1.694 20 0 EDADLP CC(C)n1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799527 711136023 /nfs/dbraw/zinc/13/60/23/711136023.db2.gz JAARCFQZTMUBNJ-SHTZXODSSA-N 2 2 345.451 1.273 20 0 EDADLP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001034801003 711140313 /nfs/dbraw/zinc/14/03/13/711140313.db2.gz CNKHGCBXVDTBOT-IHRRRGAJSA-N 2 2 346.435 1.607 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)c(C)c(C)[nH+]1 ZINC001061366400 711152239 /nfs/dbraw/zinc/15/22/39/711152239.db2.gz QIOVTLGDZIBIOA-KRWDZBQOSA-N 2 2 345.491 1.829 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034810909 711173085 /nfs/dbraw/zinc/17/30/85/711173085.db2.gz NDBBNPPFPUUWSE-MRXNPFEDSA-N 2 2 329.404 1.070 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034810909 711173086 /nfs/dbraw/zinc/17/30/86/711173086.db2.gz NDBBNPPFPUUWSE-MRXNPFEDSA-N 2 2 329.404 1.070 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)sn1 ZINC001034955417 711423046 /nfs/dbraw/zinc/42/30/46/711423046.db2.gz FICIUTYCTDVZQB-CQSZACIVSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)sn1 ZINC001034955417 711423047 /nfs/dbraw/zinc/42/30/47/711423047.db2.gz FICIUTYCTDVZQB-CQSZACIVSA-N 2 2 333.461 1.888 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001034972082 711452068 /nfs/dbraw/zinc/45/20/68/711452068.db2.gz BIODUFZGJQPLPD-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001034972082 711452071 /nfs/dbraw/zinc/45/20/71/711452071.db2.gz BIODUFZGJQPLPD-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004146751 711557474 /nfs/dbraw/zinc/55/74/74/711557474.db2.gz AFUFKLWVFAAALN-CHWSQXEVSA-N 2 2 335.452 1.225 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004146751 711557476 /nfs/dbraw/zinc/55/74/76/711557476.db2.gz AFUFKLWVFAAALN-CHWSQXEVSA-N 2 2 335.452 1.225 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631393 712016958 /nfs/dbraw/zinc/01/69/58/712016958.db2.gz FRXOQWPUVKJSBT-IBEHDNSVSA-N 2 2 332.448 1.064 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631393 712016959 /nfs/dbraw/zinc/01/69/59/712016959.db2.gz FRXOQWPUVKJSBT-IBEHDNSVSA-N 2 2 332.448 1.064 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631393 712016963 /nfs/dbraw/zinc/01/69/63/712016963.db2.gz FRXOQWPUVKJSBT-IBEHDNSVSA-N 2 2 332.448 1.064 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631393 712016966 /nfs/dbraw/zinc/01/69/66/712016966.db2.gz FRXOQWPUVKJSBT-IBEHDNSVSA-N 2 2 332.448 1.064 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033163352 712270836 /nfs/dbraw/zinc/27/08/36/712270836.db2.gz JMUJKMBEMUPAAN-ARFHVFGLSA-N 2 2 342.447 1.022 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033163352 712270838 /nfs/dbraw/zinc/27/08/38/712270838.db2.gz JMUJKMBEMUPAAN-ARFHVFGLSA-N 2 2 342.447 1.022 20 0 EDADLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000051236019 214084810 /nfs/dbraw/zinc/08/48/10/214084810.db2.gz BKPSZWHUOHSDIA-UHFFFAOYSA-N 2 2 334.468 1.409 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+]Cc3ccccc3-n3cc[nH+]c3)CC2)N1 ZINC000557734179 306233607 /nfs/dbraw/zinc/23/36/07/306233607.db2.gz SIPHGGCYGVMEIN-UHFFFAOYSA-N 2 2 339.399 1.483 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000558516496 306239014 /nfs/dbraw/zinc/23/90/14/306239014.db2.gz BJASFMHIMDUFDI-QGZVFWFLSA-N 2 2 346.475 1.518 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000558516496 306239015 /nfs/dbraw/zinc/23/90/15/306239015.db2.gz BJASFMHIMDUFDI-QGZVFWFLSA-N 2 2 346.475 1.518 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1c(F)cccc1F ZINC000174879566 231332735 /nfs/dbraw/zinc/33/27/35/231332735.db2.gz FTVANNWDSOCNRB-UONOGXRCSA-N 2 2 327.375 1.014 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1c(F)cccc1F ZINC000174879566 231332737 /nfs/dbraw/zinc/33/27/37/231332737.db2.gz FTVANNWDSOCNRB-UONOGXRCSA-N 2 2 327.375 1.014 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000362731862 299095815 /nfs/dbraw/zinc/09/58/15/299095815.db2.gz UUMRTWTZNOKAKK-LUKYLMHMSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000362731862 299095818 /nfs/dbraw/zinc/09/58/18/299095818.db2.gz UUMRTWTZNOKAKK-LUKYLMHMSA-N 2 2 338.496 1.364 20 0 EDADLP Cc1c(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cnn1C ZINC000559327950 306253920 /nfs/dbraw/zinc/25/39/20/306253920.db2.gz JKLLZYZVYMOVFF-MRXNPFEDSA-N 2 2 327.432 1.846 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000168167720 529944401 /nfs/dbraw/zinc/94/44/01/529944401.db2.gz CYRCBOVQFKABIG-CABCVRRESA-N 2 2 337.489 1.722 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000177959424 232041902 /nfs/dbraw/zinc/04/19/02/232041902.db2.gz UEFAPXFYHNXLMW-UHFFFAOYSA-N 2 2 331.420 1.244 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[NH+](C)CC1 ZINC000101649527 219151775 /nfs/dbraw/zinc/15/17/75/219151775.db2.gz YQGSTPSJSINHLS-CYBMUJFWSA-N 2 2 331.395 1.586 20 0 EDADLP C[C@@H]1CCN(c2nc(N3CCOCC3)cc[nH+]2)C[C@@H]1n1cc[nH+]c1 ZINC000154239784 539570666 /nfs/dbraw/zinc/57/06/66/539570666.db2.gz YHMCVNABUSSULA-CABCVRRESA-N 2 2 328.420 1.597 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)CCC2 ZINC000332680139 539600376 /nfs/dbraw/zinc/60/03/76/539600376.db2.gz HCIDXTJWBVBHKA-CABCVRRESA-N 2 2 335.452 1.041 20 0 EDADLP COc1ccc(C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000561149330 306282876 /nfs/dbraw/zinc/28/28/76/306282876.db2.gz NXZXFVGWSPSEQU-HNNXBMFYSA-N 2 2 334.464 1.257 20 0 EDADLP COc1ccc(C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000561149330 306282877 /nfs/dbraw/zinc/28/28/77/306282877.db2.gz NXZXFVGWSPSEQU-HNNXBMFYSA-N 2 2 334.464 1.257 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000561207492 306284655 /nfs/dbraw/zinc/28/46/55/306284655.db2.gz HCYOIUUVDDGHFR-GDBMZVCRSA-N 2 2 331.464 1.846 20 0 EDADLP C[C@H](CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[NH+]1CCOCC1 ZINC000333936665 539661877 /nfs/dbraw/zinc/66/18/77/539661877.db2.gz KSUWXCSEAMJZAH-ZBFHGGJFSA-N 2 2 338.496 1.127 20 0 EDADLP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369767 535132774 /nfs/dbraw/zinc/13/27/74/535132774.db2.gz YDMOSFGOGMZUNQ-ROUUACIJSA-N 2 2 338.540 1.783 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104222159 219362196 /nfs/dbraw/zinc/36/21/96/219362196.db2.gz BCDOKBHCVWWWLT-OWCLPIDISA-N 2 2 325.497 1.865 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104222159 219362199 /nfs/dbraw/zinc/36/21/99/219362199.db2.gz BCDOKBHCVWWWLT-OWCLPIDISA-N 2 2 325.497 1.865 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104222159 219362201 /nfs/dbraw/zinc/36/22/01/219362201.db2.gz BCDOKBHCVWWWLT-OWCLPIDISA-N 2 2 325.497 1.865 20 0 EDADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000562331742 306295807 /nfs/dbraw/zinc/29/58/07/306295807.db2.gz RNFRQJWOHKJCDR-VYOUMLOHSA-N 2 2 331.464 1.438 20 0 EDADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000562331742 306295808 /nfs/dbraw/zinc/29/58/08/306295808.db2.gz RNFRQJWOHKJCDR-VYOUMLOHSA-N 2 2 331.464 1.438 20 0 EDADLP CC(C[NH+](C)CC(=O)NC(C)(C)C)C[N@H+](C)CC(=O)NC(C)(C)C ZINC000346439491 535174260 /nfs/dbraw/zinc/17/42/60/535174260.db2.gz PWUAZAAPLIBKCP-UHFFFAOYSA-N 2 2 342.528 1.316 20 0 EDADLP CC(C[NH+](C)CC(=O)NC(C)(C)C)C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000346439491 535174263 /nfs/dbraw/zinc/17/42/63/535174263.db2.gz PWUAZAAPLIBKCP-UHFFFAOYSA-N 2 2 342.528 1.316 20 0 EDADLP COC1CC[NH+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153264107 539861051 /nfs/dbraw/zinc/86/10/51/539861051.db2.gz MLAKQGXDUDLAHW-HNNXBMFYSA-N 2 2 347.463 1.070 20 0 EDADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181042443 234069186 /nfs/dbraw/zinc/06/91/86/234069186.db2.gz ZSHPTLFTGGMALL-GJZGRUSLSA-N 2 2 337.489 1.640 20 0 EDADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000181046326 234069415 /nfs/dbraw/zinc/06/94/15/234069415.db2.gz XMJCEHQQYUNGKH-ZWKOTPCHSA-N 2 2 345.487 1.887 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000562650582 306304815 /nfs/dbraw/zinc/30/48/15/306304815.db2.gz RBBYPQZLTMTBPB-HRCADAONSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000562650582 306304816 /nfs/dbraw/zinc/30/48/16/306304816.db2.gz RBBYPQZLTMTBPB-HRCADAONSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H](CCO)C2CCCCC2)C[C@H](C)O1 ZINC000355007749 539951943 /nfs/dbraw/zinc/95/19/43/539951943.db2.gz RUWZZKPXRAPFKT-CYGHRXIMSA-N 2 2 328.497 1.377 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H](CCO)C2CCCCC2)C[C@H](C)O1 ZINC000355007749 539951946 /nfs/dbraw/zinc/95/19/46/539951946.db2.gz RUWZZKPXRAPFKT-CYGHRXIMSA-N 2 2 328.497 1.377 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H](CCO)C2CCCCC2)C[C@@H](C)O1 ZINC000355007751 539952474 /nfs/dbraw/zinc/95/24/74/539952474.db2.gz RUWZZKPXRAPFKT-JOCBIADPSA-N 2 2 328.497 1.377 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c2[nH+]ccn21 ZINC000562938641 306312999 /nfs/dbraw/zinc/31/29/99/306312999.db2.gz CNLZLLCMEQOLFD-HIFRSBDPSA-N 2 2 340.431 1.466 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000563160595 306320959 /nfs/dbraw/zinc/32/09/59/306320959.db2.gz NYMWBEHRLQHMFH-KRWDZBQOSA-N 2 2 339.443 1.392 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC000341296886 283026362 /nfs/dbraw/zinc/02/63/62/283026362.db2.gz HUDJQAQULBXVGN-HOTGVXAUSA-N 2 2 338.496 1.364 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)C[C@@H]21 ZINC000341296886 283026366 /nfs/dbraw/zinc/02/63/66/283026366.db2.gz HUDJQAQULBXVGN-HOTGVXAUSA-N 2 2 338.496 1.364 20 0 EDADLP CSCCN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000563206379 306323514 /nfs/dbraw/zinc/32/35/14/306323514.db2.gz FPJUSOORRWANSH-INIZCTEOSA-N 2 2 332.473 1.623 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2Cc3ccccc32)CC1 ZINC000175669369 540097938 /nfs/dbraw/zinc/09/79/38/540097938.db2.gz HWLSNJTWOZWUDV-INIZCTEOSA-N 2 2 330.476 1.652 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[NH+]3CCSCC3)nc[nH+]2)C1 ZINC000563305169 306326869 /nfs/dbraw/zinc/32/68/69/306326869.db2.gz HSSIREAEPLLAMO-ZIAGYGMSSA-N 2 2 337.493 1.144 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000563350380 306328964 /nfs/dbraw/zinc/32/89/64/306328964.db2.gz XMVROYMJJPRFTQ-UKRRQHHQSA-N 2 2 335.448 1.474 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000563350380 306328965 /nfs/dbraw/zinc/32/89/65/306328965.db2.gz XMVROYMJJPRFTQ-UKRRQHHQSA-N 2 2 335.448 1.474 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000387328863 540190215 /nfs/dbraw/zinc/19/02/15/540190215.db2.gz CRAFMWIYCJDDPY-UHFFFAOYSA-N 2 2 333.432 1.859 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)CC1 ZINC000563410335 306332075 /nfs/dbraw/zinc/33/20/75/306332075.db2.gz WJHYQOBCZASMNK-UHFFFAOYSA-N 3 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)CC1 ZINC000563410335 306332076 /nfs/dbraw/zinc/33/20/76/306332076.db2.gz WJHYQOBCZASMNK-UHFFFAOYSA-N 3 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCC(N2CCCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)CC1 ZINC000563410335 306332077 /nfs/dbraw/zinc/33/20/77/306332077.db2.gz WJHYQOBCZASMNK-UHFFFAOYSA-N 2 2 336.524 1.347 20 0 EDADLP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000358070967 283164471 /nfs/dbraw/zinc/16/44/71/283164471.db2.gz WRHFHQWVHDNCHT-MJGOQNOKSA-N 2 2 349.450 1.363 20 0 EDADLP C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000358070967 283164474 /nfs/dbraw/zinc/16/44/74/283164474.db2.gz WRHFHQWVHDNCHT-MJGOQNOKSA-N 2 2 349.450 1.363 20 0 EDADLP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000358070967 283164478 /nfs/dbraw/zinc/16/44/78/283164478.db2.gz WRHFHQWVHDNCHT-MJGOQNOKSA-N 2 2 349.450 1.363 20 0 EDADLP C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000358070967 283164483 /nfs/dbraw/zinc/16/44/83/283164483.db2.gz WRHFHQWVHDNCHT-MJGOQNOKSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000043310917 138110380 /nfs/dbraw/zinc/11/03/80/138110380.db2.gz PKGDIQUDDCZTDJ-UHFFFAOYSA-N 2 2 328.420 1.242 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000413059545 304054503 /nfs/dbraw/zinc/05/45/03/304054503.db2.gz GELFSXRBJNNDLI-FZKCQIBNSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000413059545 304054504 /nfs/dbraw/zinc/05/45/04/304054504.db2.gz GELFSXRBJNNDLI-FZKCQIBNSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)[nH+]cn2)C1 ZINC000413059545 304054505 /nfs/dbraw/zinc/05/45/05/304054505.db2.gz GELFSXRBJNNDLI-FZKCQIBNSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)[nH+]cn2)C1 ZINC000413059545 304054506 /nfs/dbraw/zinc/05/45/06/304054506.db2.gz GELFSXRBJNNDLI-FZKCQIBNSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1)C[NH+]1CCCC1 ZINC000413065537 304055575 /nfs/dbraw/zinc/05/55/75/304055575.db2.gz GQGSJVICKNUZEL-OWCLPIDISA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1)C[NH+]1CCCC1 ZINC000413065537 304055576 /nfs/dbraw/zinc/05/55/76/304055576.db2.gz GQGSJVICKNUZEL-OWCLPIDISA-N 2 2 333.480 1.828 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCc2ccccc2OC)C1 ZINC000072859184 138211256 /nfs/dbraw/zinc/21/12/56/138211256.db2.gz BGSFDRQHPXUSOW-MRXNPFEDSA-N 2 2 333.476 1.628 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCc2ccccc2OC)C1 ZINC000072859184 138211257 /nfs/dbraw/zinc/21/12/57/138211257.db2.gz BGSFDRQHPXUSOW-MRXNPFEDSA-N 2 2 333.476 1.628 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCc2ccccc2OC)C1 ZINC000072859184 138211259 /nfs/dbraw/zinc/21/12/59/138211259.db2.gz BGSFDRQHPXUSOW-MRXNPFEDSA-N 2 2 333.476 1.628 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCc2ccccc2OC)C1 ZINC000072859184 138211261 /nfs/dbraw/zinc/21/12/61/138211261.db2.gz BGSFDRQHPXUSOW-MRXNPFEDSA-N 2 2 333.476 1.628 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000072973854 138212205 /nfs/dbraw/zinc/21/22/05/138212205.db2.gz JONOGDAUHPYUFV-MRXNPFEDSA-N 2 2 332.448 1.409 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000072973854 138212207 /nfs/dbraw/zinc/21/22/07/138212207.db2.gz JONOGDAUHPYUFV-MRXNPFEDSA-N 2 2 332.448 1.409 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000076941482 138250366 /nfs/dbraw/zinc/25/03/66/138250366.db2.gz DGBQCNUKPNADTM-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371289900 283202368 /nfs/dbraw/zinc/20/23/68/283202368.db2.gz QJYMFUZYSVSKJO-YESZJQIVSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371289900 283202370 /nfs/dbraw/zinc/20/23/70/283202370.db2.gz QJYMFUZYSVSKJO-YESZJQIVSA-N 2 2 325.497 1.819 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000084695183 138270007 /nfs/dbraw/zinc/27/00/07/138270007.db2.gz IKRNRKWAQSMFCL-KRWDZBQOSA-N 2 2 325.497 1.727 20 0 EDADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000084695183 138270008 /nfs/dbraw/zinc/27/00/08/138270008.db2.gz IKRNRKWAQSMFCL-KRWDZBQOSA-N 2 2 325.497 1.727 20 0 EDADLP Cc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000078343520 138256979 /nfs/dbraw/zinc/25/69/79/138256979.db2.gz RYTBJTVEVRJFRB-GOSISDBHSA-N 2 2 343.431 1.342 20 0 EDADLP C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000078538969 138257798 /nfs/dbraw/zinc/25/77/98/138257798.db2.gz AQDVLFSFLUJYIV-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000078538969 138257799 /nfs/dbraw/zinc/25/77/99/138257799.db2.gz AQDVLFSFLUJYIV-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000093173103 138292193 /nfs/dbraw/zinc/29/21/93/138292193.db2.gz YUZPMDGGOZDRSN-MRXNPFEDSA-N 2 2 333.476 1.722 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000093173103 138292194 /nfs/dbraw/zinc/29/21/94/138292194.db2.gz YUZPMDGGOZDRSN-MRXNPFEDSA-N 2 2 333.476 1.722 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@@H+]1C ZINC000093644551 138294075 /nfs/dbraw/zinc/29/40/75/138294075.db2.gz AQCPCBNCHGHXTJ-NVXWUHKLSA-N 3 2 332.496 1.143 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[N@H+]1C ZINC000093644551 138294076 /nfs/dbraw/zinc/29/40/76/138294076.db2.gz AQCPCBNCHGHXTJ-NVXWUHKLSA-N 3 2 332.496 1.143 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[NH+]1C ZINC000093644551 138294077 /nfs/dbraw/zinc/29/40/77/138294077.db2.gz AQCPCBNCHGHXTJ-NVXWUHKLSA-N 3 2 332.496 1.143 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC[NH+]1C ZINC000093644551 138294078 /nfs/dbraw/zinc/29/40/78/138294078.db2.gz AQCPCBNCHGHXTJ-NVXWUHKLSA-N 3 2 332.496 1.143 20 0 EDADLP O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000120484399 138315978 /nfs/dbraw/zinc/31/59/78/138315978.db2.gz RTQUUTYSBKOESG-QGZVFWFLSA-N 2 2 346.456 1.528 20 0 EDADLP O=S(=O)(NC1CC1)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000120484399 138315979 /nfs/dbraw/zinc/31/59/79/138315979.db2.gz RTQUUTYSBKOESG-QGZVFWFLSA-N 2 2 346.456 1.528 20 0 EDADLP COCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000124521884 138327459 /nfs/dbraw/zinc/32/74/59/138327459.db2.gz BNRFARWCPNJGKM-HZPDHXFCSA-N 2 2 349.479 1.297 20 0 EDADLP COc1cccc(OCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131371633 138358236 /nfs/dbraw/zinc/35/82/36/138358236.db2.gz HZTKDTUGEDHOBK-GOSISDBHSA-N 2 2 347.459 1.488 20 0 EDADLP COc1cccc(OCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131371633 138358239 /nfs/dbraw/zinc/35/82/39/138358239.db2.gz HZTKDTUGEDHOBK-GOSISDBHSA-N 2 2 347.459 1.488 20 0 EDADLP O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1)C1CC1 ZINC000563654522 306343864 /nfs/dbraw/zinc/34/38/64/306343864.db2.gz CZQVXSUVDCMOFB-CQSZACIVSA-N 2 2 348.472 1.628 20 0 EDADLP O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1)C1CC1 ZINC000563654522 306343865 /nfs/dbraw/zinc/34/38/65/306343865.db2.gz CZQVXSUVDCMOFB-CQSZACIVSA-N 2 2 348.472 1.628 20 0 EDADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[NH+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369849574 283261534 /nfs/dbraw/zinc/26/15/34/283261534.db2.gz AXZDIRLOAOWKRL-JZXOWHBKSA-N 3 2 349.523 1.033 20 0 EDADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[NH+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369849574 283261537 /nfs/dbraw/zinc/26/15/37/283261537.db2.gz AXZDIRLOAOWKRL-JZXOWHBKSA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369849574 283261544 /nfs/dbraw/zinc/26/15/44/283261544.db2.gz AXZDIRLOAOWKRL-JZXOWHBKSA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000369849574 283261548 /nfs/dbraw/zinc/26/15/48/283261548.db2.gz AXZDIRLOAOWKRL-JZXOWHBKSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000186905807 236059941 /nfs/dbraw/zinc/05/99/41/236059941.db2.gz HZLJNBZGTOXRBX-AWEZNQCLSA-N 2 2 330.432 1.180 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000186905807 236059944 /nfs/dbraw/zinc/05/99/44/236059944.db2.gz HZLJNBZGTOXRBX-AWEZNQCLSA-N 2 2 330.432 1.180 20 0 EDADLP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000187781191 236298428 /nfs/dbraw/zinc/29/84/28/236298428.db2.gz AJUYSMLDOPOWST-OAHLLOKOSA-N 2 2 326.448 1.783 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000564085592 306355442 /nfs/dbraw/zinc/35/54/42/306355442.db2.gz SVPAVZGXQAPDKX-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000564085592 306355443 /nfs/dbraw/zinc/35/54/43/306355443.db2.gz SVPAVZGXQAPDKX-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000564562984 306360724 /nfs/dbraw/zinc/36/07/24/306360724.db2.gz RRQHBVFPNBXAPN-IAGOWNOFSA-N 2 2 332.423 1.693 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000564562984 306360725 /nfs/dbraw/zinc/36/07/25/306360725.db2.gz RRQHBVFPNBXAPN-IAGOWNOFSA-N 2 2 332.423 1.693 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCOc2ccc(F)cc2)C[C@@H](C)O1 ZINC000564847080 306367235 /nfs/dbraw/zinc/36/72/35/306367235.db2.gz XRDCRCMMRFLOTR-INMHGKMJSA-N 2 2 340.439 1.654 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000565163202 306376953 /nfs/dbraw/zinc/37/69/53/306376953.db2.gz LWJHJERWVULPDQ-UHFFFAOYSA-N 2 2 326.444 1.740 20 0 EDADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)(C)C[NH+]1CCOCC1 ZINC000414039361 304097018 /nfs/dbraw/zinc/09/70/18/304097018.db2.gz JHEKNWFSQITGSO-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)[NH+]2CCSCC2)cn1 ZINC000131327928 223223370 /nfs/dbraw/zinc/22/33/70/223223370.db2.gz JLSJCWPLLDVDCA-CYBMUJFWSA-N 2 2 345.472 1.629 20 0 EDADLP CCc1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414358871 304111708 /nfs/dbraw/zinc/11/17/08/304111708.db2.gz MUFLRDMNWAWKKM-IBGZPJMESA-N 2 2 326.444 1.766 20 0 EDADLP CCc1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414358871 304111709 /nfs/dbraw/zinc/11/17/09/304111709.db2.gz MUFLRDMNWAWKKM-IBGZPJMESA-N 2 2 326.444 1.766 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000566730290 306426616 /nfs/dbraw/zinc/42/66/16/306426616.db2.gz IQFGIQIZWDYFGS-ZDUSSCGKSA-N 2 2 329.404 1.263 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000353438262 296139408 /nfs/dbraw/zinc/13/94/08/296139408.db2.gz WTOPLSIVPWAIPR-QZTJIDSGSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000353438262 296139411 /nfs/dbraw/zinc/13/94/11/296139411.db2.gz WTOPLSIVPWAIPR-QZTJIDSGSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000364296496 296140130 /nfs/dbraw/zinc/14/01/30/296140130.db2.gz UHMXRSISPJTASN-GOSISDBHSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000364296496 296140133 /nfs/dbraw/zinc/14/01/33/296140133.db2.gz UHMXRSISPJTASN-GOSISDBHSA-N 2 2 335.492 1.574 20 0 EDADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)cc2)n1 ZINC000415091330 304158502 /nfs/dbraw/zinc/15/85/02/304158502.db2.gz CAYMVSHBMYBSOA-AWEZNQCLSA-N 2 2 340.349 1.969 20 0 EDADLP [NH3+]C[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCCO1 ZINC000415103082 304159938 /nfs/dbraw/zinc/15/99/38/304159938.db2.gz BXHVBHKAEZGEEW-CYBMUJFWSA-N 2 2 339.237 1.646 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000195043912 139005525 /nfs/dbraw/zinc/00/55/25/139005525.db2.gz CWYPRZKEGKDJJJ-UHFFFAOYSA-N 2 2 332.404 1.019 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC000415161691 304168358 /nfs/dbraw/zinc/16/83/58/304168358.db2.gz VIPBGJPYNMUHBS-KBPBESRZSA-N 2 2 329.404 1.773 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000236986931 139037281 /nfs/dbraw/zinc/03/72/81/139037281.db2.gz VSHQBUYBSZKBRR-CRAIPNDOSA-N 2 2 349.475 1.387 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000444385547 296184753 /nfs/dbraw/zinc/18/47/53/296184753.db2.gz QUYIKDFDOZSXLC-CJNGLKHVSA-N 2 2 339.867 1.468 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000237281707 139046445 /nfs/dbraw/zinc/04/64/45/139046445.db2.gz PLBDGXKEIJFCOC-DNVCBOLYSA-N 2 2 331.460 1.900 20 0 EDADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000237454902 139051654 /nfs/dbraw/zinc/05/16/54/139051654.db2.gz KLIJCVKRWHPGOX-GFCCVEGCSA-N 2 2 349.460 1.222 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000237895053 139063167 /nfs/dbraw/zinc/06/31/67/139063167.db2.gz JOEVKDZODPRLPD-RDJZCZTQSA-N 2 2 347.459 1.141 20 0 EDADLP [NH3+]C[C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000237825300 139061365 /nfs/dbraw/zinc/06/13/65/139061365.db2.gz LTEMAAHRXKXELC-KRWDZBQOSA-N 2 2 340.427 1.277 20 0 EDADLP [NH3+]C1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCCC1 ZINC000237936417 139064362 /nfs/dbraw/zinc/06/43/62/139064362.db2.gz QCKFWJIOMFSFRB-UHFFFAOYSA-N 2 2 347.459 1.285 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000111817156 220198002 /nfs/dbraw/zinc/19/80/02/220198002.db2.gz GYFWFAXDVKRITD-OAHLLOKOSA-N 2 2 335.452 1.058 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000111817156 220198006 /nfs/dbraw/zinc/19/80/06/220198006.db2.gz GYFWFAXDVKRITD-OAHLLOKOSA-N 2 2 335.452 1.058 20 0 EDADLP [NH3+][C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000238024317 139066875 /nfs/dbraw/zinc/06/68/75/139066875.db2.gz REBUCFKXGVXYOR-INIZCTEOSA-N 2 2 326.400 1.234 20 0 EDADLP [NH3+]C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000238030780 139067171 /nfs/dbraw/zinc/06/71/71/139067171.db2.gz LTEMAAHRXKXELC-QGZVFWFLSA-N 2 2 340.427 1.277 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238087691 139068564 /nfs/dbraw/zinc/06/85/64/139068564.db2.gz IYCTYIROBKTJMB-JYJNAYRXSA-N 2 2 325.416 1.804 20 0 EDADLP CN(C)C(=O)Cc1nc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cs1 ZINC000111997300 220228685 /nfs/dbraw/zinc/22/86/85/220228685.db2.gz BULDVIYSPJLECE-UHFFFAOYSA-N 2 2 333.461 1.807 20 0 EDADLP CO[C@H](C)c1noc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000245636458 139081556 /nfs/dbraw/zinc/08/15/56/139081556.db2.gz RNHRQGQGVIYABU-HUUCEWRRSA-N 2 2 337.468 1.379 20 0 EDADLP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415271840 304182292 /nfs/dbraw/zinc/18/22/92/304182292.db2.gz OZHFTMRWYPAVOA-ZDUSSCGKSA-N 2 2 340.383 1.762 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000245808347 139086482 /nfs/dbraw/zinc/08/64/82/139086482.db2.gz YZDSPXNZEGESLG-BBRMVZONSA-N 2 2 336.480 1.978 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000245808347 139086483 /nfs/dbraw/zinc/08/64/83/139086483.db2.gz YZDSPXNZEGESLG-BBRMVZONSA-N 2 2 336.480 1.978 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000245808347 139086484 /nfs/dbraw/zinc/08/64/84/139086484.db2.gz YZDSPXNZEGESLG-BBRMVZONSA-N 2 2 336.480 1.978 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000245808347 139086485 /nfs/dbraw/zinc/08/64/85/139086485.db2.gz YZDSPXNZEGESLG-BBRMVZONSA-N 2 2 336.480 1.978 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246435383 139108384 /nfs/dbraw/zinc/10/83/84/139108384.db2.gz NJUUEASKAWPJPJ-HUUCEWRRSA-N 2 2 336.436 1.046 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246435383 139108385 /nfs/dbraw/zinc/10/83/85/139108385.db2.gz NJUUEASKAWPJPJ-HUUCEWRRSA-N 2 2 336.436 1.046 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246758824 139120449 /nfs/dbraw/zinc/12/04/49/139120449.db2.gz NQFIAGBHSHANOD-IRXDYDNUSA-N 2 2 325.497 1.534 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246758824 139120450 /nfs/dbraw/zinc/12/04/50/139120450.db2.gz NQFIAGBHSHANOD-IRXDYDNUSA-N 2 2 325.497 1.534 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000246989696 139130090 /nfs/dbraw/zinc/13/00/90/139130090.db2.gz KESOKGULHXMWMK-GOEBONIOSA-N 2 2 339.505 1.757 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000246989696 139130091 /nfs/dbraw/zinc/13/00/91/139130091.db2.gz KESOKGULHXMWMK-GOEBONIOSA-N 2 2 339.505 1.757 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246971487 139129001 /nfs/dbraw/zinc/12/90/01/139129001.db2.gz CMLXTXXSCXQVAZ-ARFHVFGLSA-N 2 2 335.452 1.196 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000247145696 139137700 /nfs/dbraw/zinc/13/77/00/139137700.db2.gz ZWZAGWZLHQSPSZ-HOCLYGCPSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000247145696 139137701 /nfs/dbraw/zinc/13/77/01/139137701.db2.gz ZWZAGWZLHQSPSZ-HOCLYGCPSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000247145696 139137702 /nfs/dbraw/zinc/13/77/02/139137702.db2.gz ZWZAGWZLHQSPSZ-HOCLYGCPSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000247145696 139137703 /nfs/dbraw/zinc/13/77/03/139137703.db2.gz ZWZAGWZLHQSPSZ-HOCLYGCPSA-N 2 2 339.480 1.203 20 0 EDADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247211705 139140710 /nfs/dbraw/zinc/14/07/10/139140710.db2.gz VVABPGOLJRBUCW-NJAFHUGGSA-N 2 2 330.476 1.893 20 0 EDADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247211705 139140711 /nfs/dbraw/zinc/14/07/11/139140711.db2.gz VVABPGOLJRBUCW-NJAFHUGGSA-N 2 2 330.476 1.893 20 0 EDADLP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000262889184 296268804 /nfs/dbraw/zinc/26/88/04/296268804.db2.gz ZWJZLHIROIUHQM-DZGCQCFKSA-N 2 2 328.420 1.898 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000247789353 139155039 /nfs/dbraw/zinc/15/50/39/139155039.db2.gz YXHLVSLQSLUJGK-PMPSAXMXSA-N 2 2 335.452 1.196 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H](C)[C@H]2C)CC1 ZINC000248004684 139157021 /nfs/dbraw/zinc/15/70/21/139157021.db2.gz KSLNROCBZMPOJH-MSOLQXFVSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H](C)[C@H]2C)CC1 ZINC000248004684 139157022 /nfs/dbraw/zinc/15/70/22/139157022.db2.gz KSLNROCBZMPOJH-MSOLQXFVSA-N 2 2 345.487 1.748 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC[C@H]21 ZINC000248011349 139157288 /nfs/dbraw/zinc/15/72/88/139157288.db2.gz LHUODWVHNGNJJO-ZJPYXAASSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC[C@H]21 ZINC000248011349 139157289 /nfs/dbraw/zinc/15/72/89/139157289.db2.gz LHUODWVHNGNJJO-ZJPYXAASSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC[C@H]21 ZINC000248011349 139157290 /nfs/dbraw/zinc/15/72/90/139157290.db2.gz LHUODWVHNGNJJO-ZJPYXAASSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC[C@H]21 ZINC000248011349 139157291 /nfs/dbraw/zinc/15/72/91/139157291.db2.gz LHUODWVHNGNJJO-ZJPYXAASSA-N 2 2 335.492 1.573 20 0 EDADLP COC(=O)[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)[C@H](C(=O)OC)C1 ZINC000248606652 139168739 /nfs/dbraw/zinc/16/87/39/139168739.db2.gz VMJMNDRZBAAUJS-GJZGRUSLSA-N 2 2 337.420 1.398 20 0 EDADLP COC(=O)[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@H](C(=O)OC)C1 ZINC000248606652 139168740 /nfs/dbraw/zinc/16/87/40/139168740.db2.gz VMJMNDRZBAAUJS-GJZGRUSLSA-N 2 2 337.420 1.398 20 0 EDADLP C[N@H+](CCn1cc[nH+]c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000093332070 218215864 /nfs/dbraw/zinc/21/58/64/218215864.db2.gz JPTIIFNUUAYLQM-CYBMUJFWSA-N 2 2 337.221 1.804 20 0 EDADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000093332070 218215867 /nfs/dbraw/zinc/21/58/67/218215867.db2.gz JPTIIFNUUAYLQM-CYBMUJFWSA-N 2 2 337.221 1.804 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000249770351 139198365 /nfs/dbraw/zinc/19/83/65/139198365.db2.gz LADWKLADBOMGPY-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000249770351 139198366 /nfs/dbraw/zinc/19/83/66/139198366.db2.gz LADWKLADBOMGPY-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250111348 139200418 /nfs/dbraw/zinc/20/04/18/139200418.db2.gz LNVNZKOJEOAJIK-HZPDHXFCSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000250111348 139200419 /nfs/dbraw/zinc/20/04/19/139200419.db2.gz LNVNZKOJEOAJIK-HZPDHXFCSA-N 2 2 346.475 1.618 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000569115526 306497024 /nfs/dbraw/zinc/49/70/24/306497024.db2.gz JYTLEDYLASFOEB-UHFFFAOYSA-N 2 2 343.475 1.617 20 0 EDADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1ccc2c(c1)CCC2 ZINC000261748476 139222817 /nfs/dbraw/zinc/22/28/17/139222817.db2.gz UNPVDJAUSMYBFM-GOSISDBHSA-N 2 2 328.460 1.093 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000261769486 139224562 /nfs/dbraw/zinc/22/45/62/139224562.db2.gz SATKDWADFNFONO-SFHVURJKSA-N 2 2 330.432 1.423 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000261769486 139224563 /nfs/dbraw/zinc/22/45/63/139224563.db2.gz SATKDWADFNFONO-SFHVURJKSA-N 2 2 330.432 1.423 20 0 EDADLP Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000261810990 139228058 /nfs/dbraw/zinc/22/80/58/139228058.db2.gz SOMXBBJPIHUQHI-CQSZACIVSA-N 2 2 330.823 1.868 20 0 EDADLP [NH3+][C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000261842018 139230653 /nfs/dbraw/zinc/23/06/53/139230653.db2.gz QQUCEQXBCLWFET-QGZVFWFLSA-N 2 2 333.432 1.211 20 0 EDADLP Cc1cccc([C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000261852491 139231472 /nfs/dbraw/zinc/23/14/72/139231472.db2.gz NEPZHUBANSNUTQ-MJGOQNOKSA-N 2 2 345.487 1.874 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261868804 139232801 /nfs/dbraw/zinc/23/28/01/139232801.db2.gz XPVAMGVQSWBNHH-CQSZACIVSA-N 2 2 337.221 1.673 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000261928356 139237807 /nfs/dbraw/zinc/23/78/07/139237807.db2.gz LFGGQXIGEAURKO-QGZVFWFLSA-N 2 2 333.501 1.816 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000261928356 139237808 /nfs/dbraw/zinc/23/78/08/139237808.db2.gz LFGGQXIGEAURKO-QGZVFWFLSA-N 2 2 333.501 1.816 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000261918097 139236904 /nfs/dbraw/zinc/23/69/04/139236904.db2.gz YIPPBSUWXZDZMK-LJQANCHMSA-N 2 2 345.487 1.522 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000261918097 139236905 /nfs/dbraw/zinc/23/69/05/139236905.db2.gz YIPPBSUWXZDZMK-LJQANCHMSA-N 2 2 345.487 1.522 20 0 EDADLP O=C1[C@H](N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000261961142 139240140 /nfs/dbraw/zinc/24/01/40/139240140.db2.gz PHHQINCRTGURSA-PKOBYXMFSA-N 2 2 342.487 1.409 20 0 EDADLP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)no1 ZINC000262132473 139253725 /nfs/dbraw/zinc/25/37/25/139253725.db2.gz DDBRFGNJMPANOS-MRVPVSSYSA-N 2 2 330.314 1.650 20 0 EDADLP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)no1 ZINC000262132473 139253726 /nfs/dbraw/zinc/25/37/26/139253726.db2.gz DDBRFGNJMPANOS-MRVPVSSYSA-N 2 2 330.314 1.650 20 0 EDADLP COCC[NH2+]CCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000416990065 251119302 /nfs/dbraw/zinc/11/93/02/251119302.db2.gz OZMHQFKYTAGTCO-UHFFFAOYSA-N 2 2 335.452 1.107 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]1 ZINC000417271687 251152214 /nfs/dbraw/zinc/15/22/14/251152214.db2.gz RDCKXFHAEXSQHS-TZMCWYRMSA-N 2 2 331.395 1.951 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC1([NH3+])CCC1)c1c(F)cccc1F ZINC000417659331 251215312 /nfs/dbraw/zinc/21/53/12/251215312.db2.gz LBXGQHQDVQTHDH-CYBMUJFWSA-N 2 2 326.391 1.748 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417738222 251250552 /nfs/dbraw/zinc/25/05/52/251250552.db2.gz ONVRRDZWRSYMPO-GFCCVEGCSA-N 2 2 329.395 1.583 20 0 EDADLP [NH3+]Cc1nc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000262616032 139290255 /nfs/dbraw/zinc/29/02/55/139290255.db2.gz CUTYBMYFCDFKTM-UHFFFAOYSA-N 2 2 332.429 1.686 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000262754741 139301300 /nfs/dbraw/zinc/30/13/00/139301300.db2.gz CZYNSAXJGQNVFK-AAEUAGOBSA-N 2 2 326.466 1.677 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000262754741 139301301 /nfs/dbraw/zinc/30/13/01/139301301.db2.gz CZYNSAXJGQNVFK-AAEUAGOBSA-N 2 2 326.466 1.677 20 0 EDADLP CC[C@@H]1C[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H](CC)O1 ZINC000420966168 251793904 /nfs/dbraw/zinc/79/39/04/251793904.db2.gz ZHRMTCRIFJFIJU-IAGOWNOFSA-N 2 2 325.497 1.865 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000422897340 252015339 /nfs/dbraw/zinc/01/53/39/252015339.db2.gz ZPIBZEQBAFKRLI-INIZCTEOSA-N 2 2 347.459 1.272 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000422897340 252015342 /nfs/dbraw/zinc/01/53/42/252015342.db2.gz ZPIBZEQBAFKRLI-INIZCTEOSA-N 2 2 347.459 1.272 20 0 EDADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422851522 252000540 /nfs/dbraw/zinc/00/05/40/252000540.db2.gz WXBUPEXVYKJREQ-PKOBYXMFSA-N 4 2 331.508 1.571 20 0 EDADLP FC(F)(F)CN1CCC(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423059354 252030181 /nfs/dbraw/zinc/03/01/81/252030181.db2.gz FKGPJIISUZABSV-LSDHHAIUSA-N 2 2 335.414 1.617 20 0 EDADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[NH2+]C2)cc1Br ZINC000423149999 252037434 /nfs/dbraw/zinc/03/74/34/252037434.db2.gz BLLVJWROCSEGQH-KBPBESRZSA-N 2 2 327.266 1.860 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000423319447 252046257 /nfs/dbraw/zinc/04/62/57/252046257.db2.gz ZXVYYIQUGWGOEY-WBVHZDCISA-N 2 2 341.459 1.367 20 0 EDADLP [NH3+][C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cscn1 ZINC000423322030 252046409 /nfs/dbraw/zinc/04/64/09/252046409.db2.gz IJXVPABIKSXLSI-GDBMZVCRSA-N 2 2 330.457 1.924 20 0 EDADLP [NH3+][C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cscn1 ZINC000423322030 252046414 /nfs/dbraw/zinc/04/64/14/252046414.db2.gz IJXVPABIKSXLSI-GDBMZVCRSA-N 2 2 330.457 1.924 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)[nH+]c2c1 ZINC000423358022 252053034 /nfs/dbraw/zinc/05/30/34/252053034.db2.gz SULNBOBXLUAGOF-MRXNPFEDSA-N 2 2 338.415 1.694 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000423415031 252053681 /nfs/dbraw/zinc/05/36/81/252053681.db2.gz DDFBUIGBLWPULN-CJNGLKHVSA-N 2 2 341.477 1.014 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000423789133 252074433 /nfs/dbraw/zinc/07/44/33/252074433.db2.gz SQWSMIWYZVNIDK-RHSMWYFYSA-N 2 2 333.432 1.091 20 0 EDADLP Cc1nc(N2CCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)CC2)cc[nH+]1 ZINC000423792446 252078192 /nfs/dbraw/zinc/07/81/92/252078192.db2.gz ZBNIQJCOYWKYKL-CYBMUJFWSA-N 2 2 325.416 1.767 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424169371 252150975 /nfs/dbraw/zinc/15/09/75/252150975.db2.gz JQUCFQKMTYPWJT-JVBMTESESA-N 2 2 327.350 1.703 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424169371 252150976 /nfs/dbraw/zinc/15/09/76/252150976.db2.gz JQUCFQKMTYPWJT-JVBMTESESA-N 2 2 327.350 1.703 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415604941 304237391 /nfs/dbraw/zinc/23/73/91/304237391.db2.gz CBTSTLKWNKBDFX-DOMZBBRYSA-N 2 2 341.415 1.140 20 0 EDADLP CCOC(=O)CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000424289019 252190629 /nfs/dbraw/zinc/19/06/29/252190629.db2.gz LGDWUVLBYWISMP-HZPDHXFCSA-N 2 2 333.432 1.442 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424319676 252196198 /nfs/dbraw/zinc/19/61/98/252196198.db2.gz HAKDGGNQCKFQPW-JFIYKMOQSA-N 2 2 330.476 1.750 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424319676 252196204 /nfs/dbraw/zinc/19/62/04/252196204.db2.gz HAKDGGNQCKFQPW-JFIYKMOQSA-N 2 2 330.476 1.750 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000106546280 285009886 /nfs/dbraw/zinc/00/98/86/285009886.db2.gz UKMMGVZJIHRRNN-OAHLLOKOSA-N 2 2 335.452 1.757 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000263183063 139327066 /nfs/dbraw/zinc/32/70/66/139327066.db2.gz GYBFXRHUFBHJPV-YOEHRIQHSA-N 2 2 335.452 1.061 20 0 EDADLP CNC(=O)C[NH+]1CCC(NCc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000570167430 306532316 /nfs/dbraw/zinc/53/23/16/306532316.db2.gz BSBWCTIAWCBLER-UHFFFAOYSA-N 2 2 343.475 1.758 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccccc1F ZINC000444167446 254586209 /nfs/dbraw/zinc/58/62/09/254586209.db2.gz LKMJTZOOSIGOAE-SIIHOXLZSA-N 2 2 328.391 1.764 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000459906371 255008684 /nfs/dbraw/zinc/00/86/84/255008684.db2.gz OOIYJCASQOOCKZ-UHFFFAOYSA-N 2 2 349.479 1.162 20 0 EDADLP C[N@H+](CCNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1)C1CCCCC1 ZINC000488621906 255047309 /nfs/dbraw/zinc/04/73/09/255047309.db2.gz LCXGXJSAUBLZMI-KRWDZBQOSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@@H+](CCNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1)C1CCCCC1 ZINC000488621906 255047311 /nfs/dbraw/zinc/04/73/11/255047311.db2.gz LCXGXJSAUBLZMI-KRWDZBQOSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+](CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)C1CCCCC1 ZINC000488621906 255047312 /nfs/dbraw/zinc/04/73/12/255047312.db2.gz LCXGXJSAUBLZMI-KRWDZBQOSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+](CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)C1CCCCC1 ZINC000488621906 255047314 /nfs/dbraw/zinc/04/73/14/255047314.db2.gz LCXGXJSAUBLZMI-KRWDZBQOSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000491832676 255150800 /nfs/dbraw/zinc/15/08/00/255150800.db2.gz SMTWPBAPKYTUEH-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000491832676 255150801 /nfs/dbraw/zinc/15/08/01/255150801.db2.gz SMTWPBAPKYTUEH-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000493927463 255226820 /nfs/dbraw/zinc/22/68/20/255226820.db2.gz QYMQWLUUTTUDJU-DTWKUNHWSA-N 2 2 325.210 1.696 20 0 EDADLP C[NH+]1CCN([C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)c2cccs2)CC1 ZINC000493155786 255193881 /nfs/dbraw/zinc/19/38/81/255193881.db2.gz PIGGOUPAIYQZCD-NNTXTVRGSA-N 2 2 345.472 1.589 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000493265260 255200141 /nfs/dbraw/zinc/20/01/41/255200141.db2.gz MPRSXMZVBIXBPV-AATRIKPKSA-N 2 2 326.400 1.572 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCCC[NH+]2CC)CCO1 ZINC000495045423 255266806 /nfs/dbraw/zinc/26/68/06/255266806.db2.gz MCSICJRAKVVXMB-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCCC[NH+]2CC)CCO1 ZINC000495045423 255266807 /nfs/dbraw/zinc/26/68/07/255266807.db2.gz MCSICJRAKVVXMB-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+]2CC)CCO1 ZINC000495045423 255266808 /nfs/dbraw/zinc/26/68/08/255266808.db2.gz MCSICJRAKVVXMB-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+]2CC)CCO1 ZINC000495045423 255266809 /nfs/dbraw/zinc/26/68/09/255266809.db2.gz MCSICJRAKVVXMB-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CCC[NH+](Cc4cscn4)CC3)c2C1 ZINC000263881530 139367034 /nfs/dbraw/zinc/36/70/34/139367034.db2.gz MBTMWVXZAFIYGV-UHFFFAOYSA-N 2 2 344.488 1.633 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CCC[NH+](Cc4cscn4)CC3)c2C1 ZINC000263881530 139367035 /nfs/dbraw/zinc/36/70/35/139367035.db2.gz MBTMWVXZAFIYGV-UHFFFAOYSA-N 2 2 344.488 1.633 20 0 EDADLP C[NH+]1CCc2ncnc(N3CCC[N@H+](Cc4cscn4)CC3)c2C1 ZINC000263881530 139367036 /nfs/dbraw/zinc/36/70/36/139367036.db2.gz MBTMWVXZAFIYGV-UHFFFAOYSA-N 2 2 344.488 1.633 20 0 EDADLP C[NH+]1CCc2ncnc(N3CCC[N@@H+](Cc4cscn4)CC3)c2C1 ZINC000263881530 139367037 /nfs/dbraw/zinc/36/70/37/139367037.db2.gz MBTMWVXZAFIYGV-UHFFFAOYSA-N 2 2 344.488 1.633 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000496041229 255345712 /nfs/dbraw/zinc/34/57/12/255345712.db2.gz FJIXCEUAODBEQY-IGCXYCKISA-N 2 2 327.469 1.477 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000496041229 255345713 /nfs/dbraw/zinc/34/57/13/255345713.db2.gz FJIXCEUAODBEQY-IGCXYCKISA-N 2 2 327.469 1.477 20 0 EDADLP O=C1[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000352520072 296430380 /nfs/dbraw/zinc/43/03/80/296430380.db2.gz UXRVPMSRCANNSQ-ZWKOTPCHSA-N 2 2 328.460 1.162 20 0 EDADLP CCS(=O)(=O)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000118396854 221145629 /nfs/dbraw/zinc/14/56/29/221145629.db2.gz NHKSEJIVPCVRRJ-GASCZTMLSA-N 2 2 332.510 1.242 20 0 EDADLP CCS(=O)(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000118396854 221145630 /nfs/dbraw/zinc/14/56/30/221145630.db2.gz NHKSEJIVPCVRRJ-GASCZTMLSA-N 2 2 332.510 1.242 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)ccc2[nH+]1 ZINC000415842925 304280049 /nfs/dbraw/zinc/28/00/49/304280049.db2.gz PJMXKVRISCLMEU-CQSZACIVSA-N 2 2 329.404 1.215 20 0 EDADLP C[C@H]([C@H](C)NC(=O)c1ccccc1OCC[NH+](C)C)[NH+]1CCOCC1 ZINC000264257062 139390784 /nfs/dbraw/zinc/39/07/84/139390784.db2.gz LQRNZCDAQBSMDM-JKSUJKDBSA-N 2 2 349.475 1.466 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)cn2c1 ZINC000264339835 139398572 /nfs/dbraw/zinc/39/85/72/139398572.db2.gz ZHXGEJUILLFVOD-LSDHHAIUSA-N 2 2 345.447 1.551 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000415908861 304284728 /nfs/dbraw/zinc/28/47/28/304284728.db2.gz RFBHTAINWRUWBI-UHFFFAOYSA-N 3 2 347.507 1.944 20 0 EDADLP COc1ccc2oc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2c1 ZINC000270654880 140141931 /nfs/dbraw/zinc/14/19/31/140141931.db2.gz RRRGZSMHBZAYGJ-MRXNPFEDSA-N 2 2 331.416 1.871 20 0 EDADLP COc1ccc2oc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)cc2c1 ZINC000270654880 140141932 /nfs/dbraw/zinc/14/19/32/140141932.db2.gz RRRGZSMHBZAYGJ-MRXNPFEDSA-N 2 2 331.416 1.871 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000270655480 140142012 /nfs/dbraw/zinc/14/20/12/140142012.db2.gz MZZPOFIMVKEZQG-UHFFFAOYSA-N 2 2 330.407 1.718 20 0 EDADLP COc1coc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1=O ZINC000270883788 140189838 /nfs/dbraw/zinc/18/98/38/140189838.db2.gz KLRUNYRTUMLQOJ-UHFFFAOYSA-N 2 2 349.475 1.639 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271083514 140233503 /nfs/dbraw/zinc/23/35/03/140233503.db2.gz GRTKZZSUMHXILN-QZTJIDSGSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271083514 140233505 /nfs/dbraw/zinc/23/35/05/140233505.db2.gz GRTKZZSUMHXILN-QZTJIDSGSA-N 2 2 345.487 1.688 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416311407 304308273 /nfs/dbraw/zinc/30/82/73/304308273.db2.gz PERLXPDERBQMMS-LSDHHAIUSA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416311407 304308275 /nfs/dbraw/zinc/30/82/75/304308275.db2.gz PERLXPDERBQMMS-LSDHHAIUSA-N 2 2 344.459 1.648 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000331395364 141016648 /nfs/dbraw/zinc/01/66/48/141016648.db2.gz BTOPSDWPPLWNDF-GASCZTMLSA-N 2 2 332.448 1.407 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000331395364 141016649 /nfs/dbraw/zinc/01/66/49/141016649.db2.gz BTOPSDWPPLWNDF-GASCZTMLSA-N 2 2 332.448 1.407 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+][C@H](C)[C@@H]3C)c[nH+]2)CCO1 ZINC000332023864 141112142 /nfs/dbraw/zinc/11/21/42/141112142.db2.gz GNNKVCWXMVBOOY-KFWWJZLASA-N 2 2 347.463 1.199 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC000332049499 141114997 /nfs/dbraw/zinc/11/49/97/141114997.db2.gz SZPKJNMYJIBYRB-SJORKVTESA-N 2 2 344.459 1.257 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC000332049499 141114999 /nfs/dbraw/zinc/11/49/99/141114999.db2.gz SZPKJNMYJIBYRB-SJORKVTESA-N 2 2 344.459 1.257 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332500299 141191959 /nfs/dbraw/zinc/19/19/59/141191959.db2.gz YNXAAWLZKGKTDD-HZPDHXFCSA-N 2 2 348.495 1.134 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cn2cc[nH+]c12 ZINC000332614804 141215444 /nfs/dbraw/zinc/21/54/44/141215444.db2.gz SBTQBOHTBJRMNK-CHWSQXEVSA-N 2 2 329.404 1.132 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cn2cc[nH+]c12 ZINC000332614804 141215446 /nfs/dbraw/zinc/21/54/46/141215446.db2.gz SBTQBOHTBJRMNK-CHWSQXEVSA-N 2 2 329.404 1.132 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000332955405 141246236 /nfs/dbraw/zinc/24/62/36/141246236.db2.gz JKNNQTXBIBVJCM-JKSUJKDBSA-N 2 2 348.495 1.293 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc[nH+]1 ZINC000333009423 141249687 /nfs/dbraw/zinc/24/96/87/141249687.db2.gz FMXQXUFDVIZGRY-IAGOWNOFSA-N 2 2 345.491 1.892 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH+]1CCOCC1 ZINC000333111591 141265834 /nfs/dbraw/zinc/26/58/34/141265834.db2.gz XRZFBGNBFBGWMH-BZUAXINKSA-N 2 2 332.448 1.015 20 0 EDADLP c1cn(C2CC[NH+](Cc3nnnn3CC3CCOCC3)CC2)c[nH+]1 ZINC000333350903 141304019 /nfs/dbraw/zinc/30/40/19/141304019.db2.gz ROPBUKRNPHZNCI-UHFFFAOYSA-N 2 2 331.424 1.133 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c[nH+]1 ZINC000333642217 141349383 /nfs/dbraw/zinc/34/93/83/141349383.db2.gz IYYZTFKRWIRSQZ-KRWDZBQOSA-N 2 2 346.475 1.952 20 0 EDADLP C[C@H]1CC2(CN1C(=O)c1cc(-n3cc[nH+]c3)ccn1)CC[NH2+]CC2 ZINC000333645783 141349903 /nfs/dbraw/zinc/34/99/03/141349903.db2.gz YCPHNYJBPYWLAH-AWEZNQCLSA-N 2 2 325.416 1.872 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cn2c1 ZINC000333785323 141381370 /nfs/dbraw/zinc/38/13/70/141381370.db2.gz LPOVGYVWQCUFDE-SFHVURJKSA-N 2 2 327.432 1.928 20 0 EDADLP C[NH+]1CCN(CCC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000340180847 142294041 /nfs/dbraw/zinc/29/40/41/142294041.db2.gz OECHZYZDJPRWNK-INIZCTEOSA-N 2 2 332.427 1.260 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)C[C@H]1c1ccccc1 ZINC000340236996 142315739 /nfs/dbraw/zinc/31/57/39/142315739.db2.gz MLHDECMJGDCBBP-FHWLQOOXSA-N 3 2 344.503 1.751 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)C[C@H]1c1ccccc1 ZINC000340236996 142315740 /nfs/dbraw/zinc/31/57/40/142315740.db2.gz MLHDECMJGDCBBP-FHWLQOOXSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H]1c1ccccc1 ZINC000340236996 142315741 /nfs/dbraw/zinc/31/57/41/142315741.db2.gz MLHDECMJGDCBBP-FHWLQOOXSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H]1c1ccccc1 ZINC000340236996 142315742 /nfs/dbraw/zinc/31/57/42/142315742.db2.gz MLHDECMJGDCBBP-FHWLQOOXSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000340256491 142321690 /nfs/dbraw/zinc/32/16/90/142321690.db2.gz JEKGABSDHQNSPQ-HNNXBMFYSA-N 2 2 334.493 1.571 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000344774582 143010345 /nfs/dbraw/zinc/01/03/45/143010345.db2.gz NEQWZXMRXBASNE-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000344774582 143010346 /nfs/dbraw/zinc/01/03/46/143010346.db2.gz NEQWZXMRXBASNE-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1SCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000345134703 143055517 /nfs/dbraw/zinc/05/55/17/143055517.db2.gz FWOVVJYWWRQRMD-KBPBESRZSA-N 2 2 329.510 1.039 20 0 EDADLP C[C@@H]1SCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000345134703 143055518 /nfs/dbraw/zinc/05/55/18/143055518.db2.gz FWOVVJYWWRQRMD-KBPBESRZSA-N 2 2 329.510 1.039 20 0 EDADLP C[C@@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000345392682 143085818 /nfs/dbraw/zinc/08/58/18/143085818.db2.gz ODWOCAICBSPWPS-BZUAXINKSA-N 2 2 340.512 1.467 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345441856 143091493 /nfs/dbraw/zinc/09/14/93/143091493.db2.gz FVEIFVMUWYSIIA-INIZCTEOSA-N 2 2 328.416 1.659 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345441856 143091494 /nfs/dbraw/zinc/09/14/94/143091494.db2.gz FVEIFVMUWYSIIA-INIZCTEOSA-N 2 2 328.416 1.659 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000345635378 143114894 /nfs/dbraw/zinc/11/48/94/143114894.db2.gz FZXBHRNHKLVFKZ-LJQANCHMSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000345635378 143114895 /nfs/dbraw/zinc/11/48/95/143114895.db2.gz FZXBHRNHKLVFKZ-LJQANCHMSA-N 2 2 345.487 1.748 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000345953358 143150786 /nfs/dbraw/zinc/15/07/86/143150786.db2.gz UJHMFUMKIIXDGA-IBGZPJMESA-N 2 2 345.487 1.530 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000345953358 143150787 /nfs/dbraw/zinc/15/07/87/143150787.db2.gz UJHMFUMKIIXDGA-IBGZPJMESA-N 2 2 345.487 1.530 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000346419765 143202818 /nfs/dbraw/zinc/20/28/18/143202818.db2.gz YMMRYEMHYCINCB-UKRRQHHQSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000346419765 143202819 /nfs/dbraw/zinc/20/28/19/143202819.db2.gz YMMRYEMHYCINCB-UKRRQHHQSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000346419765 143202820 /nfs/dbraw/zinc/20/28/20/143202820.db2.gz YMMRYEMHYCINCB-UKRRQHHQSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000346419765 143202821 /nfs/dbraw/zinc/20/28/21/143202821.db2.gz YMMRYEMHYCINCB-UKRRQHHQSA-N 2 2 346.431 1.223 20 0 EDADLP C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCOCC1 ZINC000346512701 143212638 /nfs/dbraw/zinc/21/26/38/143212638.db2.gz ACUFVVXBOPBUDO-CJNGLKHVSA-N 2 2 339.867 1.780 20 0 EDADLP COc1ccc([C@H](NC(=O)Cn2cc[nH+]c2C)c2[nH+]ccn2C)cc1 ZINC000346625404 143223431 /nfs/dbraw/zinc/22/34/31/143223431.db2.gz KOGMJWINXGFDRK-KRWDZBQOSA-N 2 2 339.399 1.839 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)[C@H](C)C1 ZINC000346839408 143250604 /nfs/dbraw/zinc/25/06/04/143250604.db2.gz SPYWMGAQIXIZCU-IKGGRYGDSA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)[C@H](C)C1 ZINC000346839408 143250605 /nfs/dbraw/zinc/25/06/05/143250605.db2.gz SPYWMGAQIXIZCU-IKGGRYGDSA-N 2 2 346.537 1.680 20 0 EDADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000347248255 143300163 /nfs/dbraw/zinc/30/01/63/143300163.db2.gz XUXWKLXCTVEYGD-AEFFLSMTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000347248255 143300164 /nfs/dbraw/zinc/30/01/64/143300164.db2.gz XUXWKLXCTVEYGD-AEFFLSMTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000347248255 143300165 /nfs/dbraw/zinc/30/01/65/143300165.db2.gz XUXWKLXCTVEYGD-AEFFLSMTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@H](CO)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000347248255 143300166 /nfs/dbraw/zinc/30/01/66/143300166.db2.gz XUXWKLXCTVEYGD-AEFFLSMTSA-N 2 2 331.460 1.176 20 0 EDADLP CC[C@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)C[C@H]1[NH+]1CCOCC1 ZINC000347520185 143331510 /nfs/dbraw/zinc/33/15/10/143331510.db2.gz NWAKRBVOEYXZPP-KBXCAEBGSA-N 2 2 329.444 1.473 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)C2 ZINC000369812306 155187868 /nfs/dbraw/zinc/18/78/68/155187868.db2.gz XLBKXPMDVNDJCM-WBVHZDCISA-N 2 2 334.464 1.416 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416893492 304353550 /nfs/dbraw/zinc/35/35/50/304353550.db2.gz PIPDOJBVPFGWCV-HKUYNNGSSA-N 2 2 346.475 1.440 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416865811 304353235 /nfs/dbraw/zinc/35/32/35/304353235.db2.gz QQIHPJBVJGBWHA-OAHLLOKOSA-N 2 2 334.464 1.316 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000352766283 149156180 /nfs/dbraw/zinc/15/61/80/149156180.db2.gz BOHGKMUJBYKOMG-SFHVURJKSA-N 2 2 344.503 1.009 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4ccccn4c3)C2)CC1 ZINC000369928600 155238288 /nfs/dbraw/zinc/23/82/88/155238288.db2.gz QZAWFEMEGQARCS-INIZCTEOSA-N 2 2 326.444 1.838 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4ccccn4c3)C2)CC1 ZINC000369928600 155238290 /nfs/dbraw/zinc/23/82/90/155238290.db2.gz QZAWFEMEGQARCS-INIZCTEOSA-N 2 2 326.444 1.838 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c[nH+]1 ZINC000355124569 150127296 /nfs/dbraw/zinc/12/72/96/150127296.db2.gz CEZQVRAJOBZCHW-QGZVFWFLSA-N 2 2 337.489 1.823 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c[nH+]1 ZINC000355124569 150127298 /nfs/dbraw/zinc/12/72/98/150127298.db2.gz CEZQVRAJOBZCHW-QGZVFWFLSA-N 2 2 337.489 1.823 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N2Cc3ccccc3C2)CC1 ZINC000355478504 150285592 /nfs/dbraw/zinc/28/55/92/150285592.db2.gz WZDILMVMRMNRPX-HNNXBMFYSA-N 2 2 331.460 1.618 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417031853 304362736 /nfs/dbraw/zinc/36/27/36/304362736.db2.gz GXOPOGKPKASHQO-ZWKOTPCHSA-N 2 2 348.491 1.877 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417031933 304362907 /nfs/dbraw/zinc/36/29/07/304362907.db2.gz HDLKVXFSZVXPAE-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417039154 304364905 /nfs/dbraw/zinc/36/49/05/304364905.db2.gz NSZSBMUVIXXTMH-DJIMGWMZSA-N 2 2 332.448 1.191 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647073 151099652 /nfs/dbraw/zinc/09/96/52/151099652.db2.gz MEKFASFSIJHSOQ-OAHLLOKOSA-N 2 2 349.475 1.088 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647073 151099655 /nfs/dbraw/zinc/09/96/55/151099655.db2.gz MEKFASFSIJHSOQ-OAHLLOKOSA-N 2 2 349.475 1.088 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)O1 ZINC000357665953 151108007 /nfs/dbraw/zinc/10/80/07/151108007.db2.gz MWVPICHUQWLUIQ-MCIONIFRSA-N 2 2 335.452 1.066 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)O1 ZINC000357665953 151108009 /nfs/dbraw/zinc/10/80/09/151108009.db2.gz MWVPICHUQWLUIQ-MCIONIFRSA-N 2 2 335.452 1.066 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](CCO)C3)CC2)c1 ZINC000357825238 151162871 /nfs/dbraw/zinc/16/28/71/151162871.db2.gz DMSCVJPSLTZGOI-SFHVURJKSA-N 2 2 345.487 1.344 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](CCO)C3)CC2)c1 ZINC000357825238 151162873 /nfs/dbraw/zinc/16/28/73/151162873.db2.gz DMSCVJPSLTZGOI-SFHVURJKSA-N 2 2 345.487 1.344 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)NCC(=O)c2ccccc2)CC[N@@H+]1C ZINC000358031436 151240418 /nfs/dbraw/zinc/24/04/18/151240418.db2.gz IKYMYDDNMNWOQA-DOTOQJQBSA-N 2 2 331.460 1.790 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)NCC(=O)c2ccccc2)CC[N@H+]1C ZINC000358031436 151240419 /nfs/dbraw/zinc/24/04/19/151240419.db2.gz IKYMYDDNMNWOQA-DOTOQJQBSA-N 2 2 331.460 1.790 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCC(=O)NCC(=O)c2ccccc2)CC[NH+]1C ZINC000358031436 151240421 /nfs/dbraw/zinc/24/04/21/151240421.db2.gz IKYMYDDNMNWOQA-DOTOQJQBSA-N 2 2 331.460 1.790 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)NCC(=O)c2ccccc2)CC[NH+]1C ZINC000358031436 151240422 /nfs/dbraw/zinc/24/04/22/151240422.db2.gz IKYMYDDNMNWOQA-DOTOQJQBSA-N 2 2 331.460 1.790 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358079276 151262893 /nfs/dbraw/zinc/26/28/93/151262893.db2.gz DMQYYLWKWJWNSP-PBHICJAKSA-N 2 2 339.505 1.757 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358079276 151262895 /nfs/dbraw/zinc/26/28/95/151262895.db2.gz DMQYYLWKWJWNSP-PBHICJAKSA-N 2 2 339.505 1.757 20 0 EDADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358152852 151289333 /nfs/dbraw/zinc/28/93/33/151289333.db2.gz LBQMQDZKXONLJH-OKZBNKHCSA-N 2 2 337.508 1.724 20 0 EDADLP COc1ccsc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000358227082 151311864 /nfs/dbraw/zinc/31/18/64/151311864.db2.gz NJKRNAMCOFUTHF-UHFFFAOYSA-N 2 2 325.478 1.855 20 0 EDADLP COc1ccsc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000358227082 151311866 /nfs/dbraw/zinc/31/18/66/151311866.db2.gz NJKRNAMCOFUTHF-UHFFFAOYSA-N 2 2 325.478 1.855 20 0 EDADLP COc1ccc(NC(=O)CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000358459945 151383810 /nfs/dbraw/zinc/38/38/10/151383810.db2.gz VYACQBLFUYJVEK-UHFFFAOYSA-N 2 2 343.431 1.565 20 0 EDADLP COc1cccc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000370111630 155329133 /nfs/dbraw/zinc/32/91/33/155329133.db2.gz MCZCIFAKLQCIGU-WMZOPIPTSA-N 2 2 333.476 1.752 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000574040842 306641166 /nfs/dbraw/zinc/64/11/66/306641166.db2.gz CVBIGSVLNBJBHI-CQSZACIVSA-N 2 2 332.448 1.417 20 0 EDADLP Cc1[nH+]c2n(c1CN1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1)CCCC2 ZINC000360676342 152148862 /nfs/dbraw/zinc/14/88/62/152148862.db2.gz ZRPSDGUYZPQRNG-HNNXBMFYSA-N 2 2 333.480 1.122 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000360943713 152260151 /nfs/dbraw/zinc/26/01/51/152260151.db2.gz YEEWLGLXKDHGKF-KRWDZBQOSA-N 2 2 349.450 1.614 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000360943713 152260154 /nfs/dbraw/zinc/26/01/54/152260154.db2.gz YEEWLGLXKDHGKF-KRWDZBQOSA-N 2 2 349.450 1.614 20 0 EDADLP CC(C)c1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)nc(N(C)C)[nH+]1 ZINC000361025624 152282844 /nfs/dbraw/zinc/28/28/44/152282844.db2.gz NQVWQKJOOOTVII-UHFFFAOYSA-N 2 2 329.452 1.711 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361058739 152291986 /nfs/dbraw/zinc/29/19/86/152291986.db2.gz DGNWGUPULILGAW-UHFFFAOYSA-N 2 2 342.509 1.705 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000361068630 152294845 /nfs/dbraw/zinc/29/48/45/152294845.db2.gz QWYKJSWSGYJKEM-HOTGVXAUSA-N 2 2 338.448 1.267 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000361068630 152294847 /nfs/dbraw/zinc/29/48/47/152294847.db2.gz QWYKJSWSGYJKEM-HOTGVXAUSA-N 2 2 338.448 1.267 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000361089576 152299175 /nfs/dbraw/zinc/29/91/75/152299175.db2.gz UWXGAQRCTCFFEC-CQSZACIVSA-N 2 2 341.459 1.803 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000361089576 152299177 /nfs/dbraw/zinc/29/91/77/152299177.db2.gz UWXGAQRCTCFFEC-CQSZACIVSA-N 2 2 341.459 1.803 20 0 EDADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2nnc3n2CCC3)CC1 ZINC000361343542 152366900 /nfs/dbraw/zinc/36/69/00/152366900.db2.gz FBWVONXXBVDJHI-UHFFFAOYSA-N 2 2 331.386 1.773 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000361359820 152371766 /nfs/dbraw/zinc/37/17/66/152371766.db2.gz HIQVQDFLGUJNSV-NVXWUHKLSA-N 2 2 348.516 1.343 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000361359820 152371767 /nfs/dbraw/zinc/37/17/67/152371767.db2.gz HIQVQDFLGUJNSV-NVXWUHKLSA-N 2 2 348.516 1.343 20 0 EDADLP CCOC(=O)[C@](C)(O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000361431448 152392919 /nfs/dbraw/zinc/39/29/19/152392919.db2.gz DRGLAGDEHPHLTH-LJQANCHMSA-N 2 2 349.475 1.934 20 0 EDADLP CCOC(=O)[C@](C)(O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000361431448 152392921 /nfs/dbraw/zinc/39/29/21/152392921.db2.gz DRGLAGDEHPHLTH-LJQANCHMSA-N 2 2 349.475 1.934 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000370151970 155351099 /nfs/dbraw/zinc/35/10/99/155351099.db2.gz XTKWGAORWJQMAY-KSSFIOAISA-N 2 2 349.475 1.832 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000370151970 155351102 /nfs/dbraw/zinc/35/11/02/155351102.db2.gz XTKWGAORWJQMAY-KSSFIOAISA-N 2 2 349.475 1.832 20 0 EDADLP Cn1c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nnc1C1CC1 ZINC000363634177 153018860 /nfs/dbraw/zinc/01/88/60/153018860.db2.gz KMFZWNZDKVDZAS-UHFFFAOYSA-N 2 2 333.480 1.627 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cn2)CC1 ZINC000363692735 153031333 /nfs/dbraw/zinc/03/13/33/153031333.db2.gz JBGAXZXKQUUVFP-CQSZACIVSA-N 2 2 340.431 1.231 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000364060530 153135629 /nfs/dbraw/zinc/13/56/29/153135629.db2.gz VSTTXJVFBQTLFN-PKOBYXMFSA-N 3 2 349.523 1.308 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000364060530 153135630 /nfs/dbraw/zinc/13/56/30/153135630.db2.gz VSTTXJVFBQTLFN-PKOBYXMFSA-N 3 2 349.523 1.308 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000364060530 153135633 /nfs/dbraw/zinc/13/56/33/153135633.db2.gz VSTTXJVFBQTLFN-PKOBYXMFSA-N 3 2 349.523 1.308 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000364060530 153135634 /nfs/dbraw/zinc/13/56/34/153135634.db2.gz VSTTXJVFBQTLFN-PKOBYXMFSA-N 3 2 349.523 1.308 20 0 EDADLP COc1ccnc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000364537147 153263402 /nfs/dbraw/zinc/26/34/02/153263402.db2.gz NZKYROAAPRPDHG-INIZCTEOSA-N 2 2 348.491 1.699 20 0 EDADLP COc1ccnc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000364537147 153263403 /nfs/dbraw/zinc/26/34/03/153263403.db2.gz NZKYROAAPRPDHG-INIZCTEOSA-N 2 2 348.491 1.699 20 0 EDADLP CC(=O)c1ccccc1OCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364566487 153273996 /nfs/dbraw/zinc/27/39/96/153273996.db2.gz WULDQJNJTAGTOX-SFHVURJKSA-N 2 2 345.487 1.980 20 0 EDADLP CC(=O)c1ccccc1OCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364566487 153273999 /nfs/dbraw/zinc/27/39/99/153273999.db2.gz WULDQJNJTAGTOX-SFHVURJKSA-N 2 2 345.487 1.980 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)C2 ZINC000364571456 153274972 /nfs/dbraw/zinc/27/49/72/153274972.db2.gz UKEROHKKFUDMEF-AWEZNQCLSA-N 2 2 348.491 1.865 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)CC2 ZINC000364571456 153274973 /nfs/dbraw/zinc/27/49/73/153274973.db2.gz UKEROHKKFUDMEF-AWEZNQCLSA-N 2 2 348.491 1.865 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)[C@H](C)C2)s1 ZINC000364916580 153368752 /nfs/dbraw/zinc/36/87/52/153368752.db2.gz OCIRZEZQRHMYIF-MLGOLLRUSA-N 2 2 336.505 1.778 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CC(=O)NCC3CC3)[C@H](C)C2)s1 ZINC000364916580 153368756 /nfs/dbraw/zinc/36/87/56/153368756.db2.gz OCIRZEZQRHMYIF-MLGOLLRUSA-N 2 2 336.505 1.778 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C(=O)C1 ZINC000365020974 153399751 /nfs/dbraw/zinc/39/97/51/153399751.db2.gz QKXLKRSUYPUXCT-UHFFFAOYSA-N 2 2 333.480 1.377 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C(=O)C1 ZINC000365020974 153399753 /nfs/dbraw/zinc/39/97/53/153399753.db2.gz QKXLKRSUYPUXCT-UHFFFAOYSA-N 2 2 333.480 1.377 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367138697 154019978 /nfs/dbraw/zinc/01/99/78/154019978.db2.gz HPEDZXAPIVBUOZ-LSDHHAIUSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367138697 154019980 /nfs/dbraw/zinc/01/99/80/154019980.db2.gz HPEDZXAPIVBUOZ-LSDHHAIUSA-N 2 2 336.480 1.561 20 0 EDADLP CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000367274397 154063509 /nfs/dbraw/zinc/06/35/09/154063509.db2.gz MCDVLGQVKPEFOB-LSDHHAIUSA-N 2 2 338.477 1.097 20 0 EDADLP Cc1cnn(C)c1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000367302090 154070494 /nfs/dbraw/zinc/07/04/94/154070494.db2.gz UHOZFIHXNYBJCT-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP Cc1cnn(C)c1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000367302090 154070498 /nfs/dbraw/zinc/07/04/98/154070498.db2.gz UHOZFIHXNYBJCT-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000367302090 154070500 /nfs/dbraw/zinc/07/05/00/154070500.db2.gz UHOZFIHXNYBJCT-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000367302090 154070502 /nfs/dbraw/zinc/07/05/02/154070502.db2.gz UHOZFIHXNYBJCT-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP c1nc(N2CCOCC2)sc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000367467594 154135249 /nfs/dbraw/zinc/13/52/49/154135249.db2.gz RKZZPZBBYNZTAK-PVAVHDDUSA-N 2 2 348.516 1.896 20 0 EDADLP c1nc(N2CCOCC2)sc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000367467594 154135252 /nfs/dbraw/zinc/13/52/52/154135252.db2.gz RKZZPZBBYNZTAK-PVAVHDDUSA-N 2 2 348.516 1.896 20 0 EDADLP c1nc(N2CCOCC2)sc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367467594 154135254 /nfs/dbraw/zinc/13/52/54/154135254.db2.gz RKZZPZBBYNZTAK-PVAVHDDUSA-N 2 2 348.516 1.896 20 0 EDADLP c1nc(N2CCOCC2)sc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367467594 154135258 /nfs/dbraw/zinc/13/52/58/154135258.db2.gz RKZZPZBBYNZTAK-PVAVHDDUSA-N 2 2 348.516 1.896 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417498643 297126951 /nfs/dbraw/zinc/12/69/51/297126951.db2.gz CZVGZBDNHCPIQI-OAHLLOKOSA-N 2 2 326.485 1.258 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417498643 297126955 /nfs/dbraw/zinc/12/69/55/297126955.db2.gz CZVGZBDNHCPIQI-OAHLLOKOSA-N 2 2 326.485 1.258 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)CC1 ZINC000367746215 154253058 /nfs/dbraw/zinc/25/30/58/154253058.db2.gz FKWGAWQTENPWNC-KRWDZBQOSA-N 3 2 327.476 1.935 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)CC1 ZINC000367746215 154253061 /nfs/dbraw/zinc/25/30/61/154253061.db2.gz FKWGAWQTENPWNC-KRWDZBQOSA-N 3 2 327.476 1.935 20 0 EDADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)CCO1 ZINC000367911683 154322580 /nfs/dbraw/zinc/32/25/80/154322580.db2.gz POUCMDOWBUAKEP-GXTWGEPZSA-N 2 2 340.386 1.111 20 0 EDADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)CCO1 ZINC000367911683 154322585 /nfs/dbraw/zinc/32/25/85/154322585.db2.gz POUCMDOWBUAKEP-GXTWGEPZSA-N 2 2 340.386 1.111 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369635073 155117598 /nfs/dbraw/zinc/11/75/98/155117598.db2.gz AFZDSXCHLIQPHN-OAHLLOKOSA-N 2 2 330.436 1.682 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371757537 156093528 /nfs/dbraw/zinc/09/35/28/156093528.db2.gz SKHOEYXUSBYUFH-MRXNPFEDSA-N 2 2 334.464 1.383 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371757537 156093531 /nfs/dbraw/zinc/09/35/31/156093531.db2.gz SKHOEYXUSBYUFH-MRXNPFEDSA-N 2 2 334.464 1.383 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC000371838953 156132191 /nfs/dbraw/zinc/13/21/91/156132191.db2.gz OMMAKLZIMIPGBL-ZBFHGGJFSA-N 2 2 333.480 1.886 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC000371838953 156132194 /nfs/dbraw/zinc/13/21/94/156132194.db2.gz OMMAKLZIMIPGBL-ZBFHGGJFSA-N 2 2 333.480 1.886 20 0 EDADLP COc1cccc([C@@H](C)[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371860425 156141296 /nfs/dbraw/zinc/14/12/96/156141296.db2.gz BQJJXUFAUNBLIL-APWZRJJASA-N 2 2 333.476 1.704 20 0 EDADLP COc1cccc([C@@H](C)[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371860425 156141298 /nfs/dbraw/zinc/14/12/98/156141298.db2.gz BQJJXUFAUNBLIL-APWZRJJASA-N 2 2 333.476 1.704 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000371927942 156169785 /nfs/dbraw/zinc/16/97/85/156169785.db2.gz SVDIRVBMDSOAGU-FHLIZLRMSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000371927942 156169789 /nfs/dbraw/zinc/16/97/89/156169789.db2.gz SVDIRVBMDSOAGU-FHLIZLRMSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000371927942 156169791 /nfs/dbraw/zinc/16/97/91/156169791.db2.gz SVDIRVBMDSOAGU-FHLIZLRMSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000371927942 156169795 /nfs/dbraw/zinc/16/97/95/156169795.db2.gz SVDIRVBMDSOAGU-FHLIZLRMSA-N 2 2 328.460 1.645 20 0 EDADLP CC1(Cn2cc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3)nn2)COC1 ZINC000371934728 156173219 /nfs/dbraw/zinc/17/32/19/156173219.db2.gz YZHMJMMTPRDJME-UHFFFAOYSA-N 2 2 339.359 1.148 20 0 EDADLP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000372278224 156308491 /nfs/dbraw/zinc/30/84/91/156308491.db2.gz OXFHIZXMPBEPFA-CQSZACIVSA-N 2 2 330.436 1.578 20 0 EDADLP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000372278224 156308495 /nfs/dbraw/zinc/30/84/95/156308495.db2.gz OXFHIZXMPBEPFA-CQSZACIVSA-N 2 2 330.436 1.578 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374324936 157246039 /nfs/dbraw/zinc/24/60/39/157246039.db2.gz NRLOYJVRYLIBSZ-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374324936 157246043 /nfs/dbraw/zinc/24/60/43/157246043.db2.gz NRLOYJVRYLIBSZ-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)Cn1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000374721655 157378167 /nfs/dbraw/zinc/37/81/67/157378167.db2.gz UOPXTFWJKHNTTD-IEBWSBKVSA-N 2 2 333.524 1.997 20 0 EDADLP CC(C)Cn1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000374721655 157378172 /nfs/dbraw/zinc/37/81/72/157378172.db2.gz UOPXTFWJKHNTTD-IEBWSBKVSA-N 2 2 333.524 1.997 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC3(CCC3)[C@H]2C2CC2)CC1 ZINC000378113752 158082143 /nfs/dbraw/zinc/08/21/43/158082143.db2.gz XOXUWYZKIHHCSS-QGZVFWFLSA-N 2 2 334.508 1.987 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC000378123829 158085006 /nfs/dbraw/zinc/08/50/06/158085006.db2.gz SGSHAGLLJWFKLU-NVXWUHKLSA-N 2 2 349.479 1.545 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC000378123829 158085008 /nfs/dbraw/zinc/08/50/08/158085008.db2.gz SGSHAGLLJWFKLU-NVXWUHKLSA-N 2 2 349.479 1.545 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH+]1CCOCC1 ZINC000378262688 158123883 /nfs/dbraw/zinc/12/38/83/158123883.db2.gz FOOLGKZEPXZIDJ-SJORKVTESA-N 2 2 348.491 1.873 20 0 EDADLP COc1ccccc1C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000378383344 158159479 /nfs/dbraw/zinc/15/94/79/158159479.db2.gz PSFNJVKPTZEBSB-QGZVFWFLSA-N 2 2 345.487 1.724 20 0 EDADLP COc1ccccc1C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000378383344 158159480 /nfs/dbraw/zinc/15/94/80/158159480.db2.gz PSFNJVKPTZEBSB-QGZVFWFLSA-N 2 2 345.487 1.724 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)CCO1 ZINC000378526487 158200028 /nfs/dbraw/zinc/20/00/28/158200028.db2.gz OHTFIKAHDBEJSP-HNNXBMFYSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)CCO1 ZINC000378526487 158200030 /nfs/dbraw/zinc/20/00/30/158200030.db2.gz OHTFIKAHDBEJSP-HNNXBMFYSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccn1 ZINC000378559893 158208217 /nfs/dbraw/zinc/20/82/17/158208217.db2.gz ADJNEOFMNWFLEF-DOTOQJQBSA-N 2 2 332.448 1.055 20 0 EDADLP COCCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352331317 162122267 /nfs/dbraw/zinc/12/22/67/162122267.db2.gz QAVHUHDSPMXRRO-HOTGVXAUSA-N 2 2 332.510 1.433 20 0 EDADLP O=C1[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCCN1c1cccc(F)c1 ZINC000352496083 162213210 /nfs/dbraw/zinc/21/32/10/162213210.db2.gz RQBMUFREACHFKN-ROUUACIJSA-N 2 2 346.450 1.301 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352509895 162220627 /nfs/dbraw/zinc/22/06/27/162220627.db2.gz LXTMJJQGCJYUFR-INIZCTEOSA-N 2 2 332.448 1.530 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352509895 162220628 /nfs/dbraw/zinc/22/06/28/162220628.db2.gz LXTMJJQGCJYUFR-INIZCTEOSA-N 2 2 332.448 1.530 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000352510047 162221009 /nfs/dbraw/zinc/22/10/09/162221009.db2.gz MDAMSAAZNRHIKC-DLBZAZTESA-N 2 2 330.476 1.610 20 0 EDADLP C[C@@H](C1CC1)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000073800333 287264796 /nfs/dbraw/zinc/26/47/96/287264796.db2.gz PJNJSLLWLPIOLB-INIZCTEOSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H](C1CC1)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000073800333 287264798 /nfs/dbraw/zinc/26/47/98/287264798.db2.gz PJNJSLLWLPIOLB-INIZCTEOSA-N 2 2 345.487 1.865 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000125505706 287407822 /nfs/dbraw/zinc/40/78/22/287407822.db2.gz PRXOEAUPEVIFHJ-UHFFFAOYSA-N 3 2 335.496 1.458 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418389534 304489472 /nfs/dbraw/zinc/48/94/72/304489472.db2.gz AJKOORNJSIFXKH-INIZCTEOSA-N 2 2 332.448 1.260 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccnn1C ZINC000192787411 272986395 /nfs/dbraw/zinc/98/63/95/272986395.db2.gz KOQFRMGPUTWDFD-OAHLLOKOSA-N 2 2 342.447 1.205 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)C1 ZINC000237675721 273011964 /nfs/dbraw/zinc/01/19/64/273011964.db2.gz JNBVEKBOJNKROR-HNNXBMFYSA-N 2 2 344.459 1.289 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)C1 ZINC000237675721 273011965 /nfs/dbraw/zinc/01/19/65/273011965.db2.gz JNBVEKBOJNKROR-HNNXBMFYSA-N 2 2 344.459 1.289 20 0 EDADLP CN(C(=O)c1cncnc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000273875335 268087997 /nfs/dbraw/zinc/08/79/97/268087997.db2.gz WUKPDWWEQVEUAD-ROUUACIJSA-N 2 2 345.491 1.886 20 0 EDADLP CN(C(=O)c1cncnc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000273875335 268087998 /nfs/dbraw/zinc/08/79/98/268087998.db2.gz WUKPDWWEQVEUAD-ROUUACIJSA-N 2 2 345.491 1.886 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCn1cc[nH+]c1 ZINC000274379031 268131057 /nfs/dbraw/zinc/13/10/57/268131057.db2.gz MFXVIYJEWBSFOD-CQSZACIVSA-N 2 2 326.400 1.938 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000274462299 268143196 /nfs/dbraw/zinc/14/31/96/268143196.db2.gz KCJSMPMDECDHDL-ROUUACIJSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000274462299 268143197 /nfs/dbraw/zinc/14/31/97/268143197.db2.gz KCJSMPMDECDHDL-ROUUACIJSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000274462299 268143199 /nfs/dbraw/zinc/14/31/99/268143199.db2.gz KCJSMPMDECDHDL-ROUUACIJSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000274462299 268143201 /nfs/dbraw/zinc/14/32/01/268143201.db2.gz KCJSMPMDECDHDL-ROUUACIJSA-N 2 2 346.519 1.649 20 0 EDADLP CO[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1C ZINC000275782098 268372752 /nfs/dbraw/zinc/37/27/52/268372752.db2.gz COMFQTWHXDWMHN-HKUYNNGSSA-N 2 2 345.487 1.688 20 0 EDADLP CO[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1C ZINC000275782098 268372754 /nfs/dbraw/zinc/37/27/54/268372754.db2.gz COMFQTWHXDWMHN-HKUYNNGSSA-N 2 2 345.487 1.688 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278593525 268688276 /nfs/dbraw/zinc/68/82/76/268688276.db2.gz LIEQDUJDWNENID-UHFFFAOYSA-N 2 2 341.477 1.563 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000274198995 273077196 /nfs/dbraw/zinc/07/71/96/273077196.db2.gz KBDNWBMBUIJGDW-UHFFFAOYSA-N 2 2 348.443 1.965 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cncc(Br)c1 ZINC000274339367 273085296 /nfs/dbraw/zinc/08/52/96/273085296.db2.gz PIGUOFGBHYNURT-CYBMUJFWSA-N 2 2 341.253 1.274 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cncc(Br)c1 ZINC000274339367 273085298 /nfs/dbraw/zinc/08/52/98/273085298.db2.gz PIGUOFGBHYNURT-CYBMUJFWSA-N 2 2 341.253 1.274 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3CCc4[nH+]ccn4C3)cn21 ZINC000275714091 273121280 /nfs/dbraw/zinc/12/12/80/273121280.db2.gz VMRFUYLQVLLCRL-AWEZNQCLSA-N 2 2 338.415 1.901 20 0 EDADLP CCOCC[C@@H](O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000277639597 273213447 /nfs/dbraw/zinc/21/34/47/273213447.db2.gz HNKKMUAOOAUXIS-LJQANCHMSA-N 2 2 335.492 1.808 20 0 EDADLP CCOCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000277639597 273213449 /nfs/dbraw/zinc/21/34/49/273213449.db2.gz HNKKMUAOOAUXIS-LJQANCHMSA-N 2 2 335.492 1.808 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000278242001 273256054 /nfs/dbraw/zinc/25/60/54/273256054.db2.gz TYLHUNIZUFFWCM-UKRRQHHQSA-N 2 2 336.823 1.643 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000280323395 273356918 /nfs/dbraw/zinc/35/69/18/273356918.db2.gz UZFSJXFERBAWIF-ZDUSSCGKSA-N 2 2 338.883 1.976 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000280783796 273397855 /nfs/dbraw/zinc/39/78/55/273397855.db2.gz SNNMHSAVXJHEKU-QGZVFWFLSA-N 2 2 343.431 1.162 20 0 EDADLP NC(=O)N[C@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284282347 274145543 /nfs/dbraw/zinc/14/55/43/274145543.db2.gz YAAYNRALEQVTLW-IRXDYDNUSA-N 2 2 332.448 1.020 20 0 EDADLP NC(=O)N[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284282347 274145544 /nfs/dbraw/zinc/14/55/44/274145544.db2.gz YAAYNRALEQVTLW-IRXDYDNUSA-N 2 2 332.448 1.020 20 0 EDADLP NC(=O)N[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284282347 274145546 /nfs/dbraw/zinc/14/55/46/274145546.db2.gz YAAYNRALEQVTLW-IRXDYDNUSA-N 2 2 332.448 1.020 20 0 EDADLP NC(=O)N[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284282347 274145548 /nfs/dbraw/zinc/14/55/48/274145548.db2.gz YAAYNRALEQVTLW-IRXDYDNUSA-N 2 2 332.448 1.020 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000284433641 274200527 /nfs/dbraw/zinc/20/05/27/274200527.db2.gz YSLWQKZSIGQFDY-CQSZACIVSA-N 2 2 344.419 1.175 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)ccc2[nH+]1 ZINC000284487185 274219762 /nfs/dbraw/zinc/21/97/62/274219762.db2.gz CIQGMBJDIMQGEE-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)ccc2[nH+]1 ZINC000284487185 274219763 /nfs/dbraw/zinc/21/97/63/274219763.db2.gz CIQGMBJDIMQGEE-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000377779408 274277445 /nfs/dbraw/zinc/27/74/45/274277445.db2.gz YEMXWXUXPRRHMV-DOTOQJQBSA-N 2 2 329.448 1.586 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000377779408 274277448 /nfs/dbraw/zinc/27/74/48/274277448.db2.gz YEMXWXUXPRRHMV-DOTOQJQBSA-N 2 2 329.448 1.586 20 0 EDADLP CC[N@H+](CCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)C1CC1 ZINC000114789605 276126345 /nfs/dbraw/zinc/12/63/45/276126345.db2.gz UPVAHFAIOFXLMC-INIZCTEOSA-N 2 2 345.491 1.954 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)C1CC1 ZINC000114789605 276126347 /nfs/dbraw/zinc/12/63/47/276126347.db2.gz UPVAHFAIOFXLMC-INIZCTEOSA-N 2 2 345.491 1.954 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCc4ccsc4C3)C2)CC1 ZINC000367020226 277027444 /nfs/dbraw/zinc/02/74/44/277027444.db2.gz MEDQHJUDUFHRQL-OAHLLOKOSA-N 2 2 348.516 1.984 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCc4ccsc4C3)C2)CC1 ZINC000367020226 277027445 /nfs/dbraw/zinc/02/74/45/277027445.db2.gz MEDQHJUDUFHRQL-OAHLLOKOSA-N 2 2 348.516 1.984 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000245408824 277067504 /nfs/dbraw/zinc/06/75/04/277067504.db2.gz JDKNAUMBHXBCJR-XUWVNRHRSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000245408824 277067505 /nfs/dbraw/zinc/06/75/05/277067505.db2.gz JDKNAUMBHXBCJR-XUWVNRHRSA-N 2 2 339.480 1.344 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000179268126 277078795 /nfs/dbraw/zinc/07/87/95/277078795.db2.gz XSGHBKSHBPPYBN-HNNXBMFYSA-N 2 2 337.489 1.901 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000179268126 277078797 /nfs/dbraw/zinc/07/87/97/277078797.db2.gz XSGHBKSHBPPYBN-HNNXBMFYSA-N 2 2 337.489 1.901 20 0 EDADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000179268126 277078798 /nfs/dbraw/zinc/07/87/98/277078798.db2.gz XSGHBKSHBPPYBN-HNNXBMFYSA-N 2 2 337.489 1.901 20 0 EDADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000179268126 277078799 /nfs/dbraw/zinc/07/87/99/277078799.db2.gz XSGHBKSHBPPYBN-HNNXBMFYSA-N 2 2 337.489 1.901 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000264929930 277091483 /nfs/dbraw/zinc/09/14/83/277091483.db2.gz YSFPDPWCWHSORD-QGZVFWFLSA-N 2 2 348.516 1.734 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000264929930 277091484 /nfs/dbraw/zinc/09/14/84/277091484.db2.gz YSFPDPWCWHSORD-QGZVFWFLSA-N 2 2 348.516 1.734 20 0 EDADLP COC(=O)C[C@@](C)([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccncc1 ZINC000362288861 277327880 /nfs/dbraw/zinc/32/78/80/277327880.db2.gz YYXBQPPTNSVMTC-QGZVFWFLSA-N 2 2 331.420 1.449 20 0 EDADLP COc1ncccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000056500443 278096645 /nfs/dbraw/zinc/09/66/45/278096645.db2.gz AWUAJDYZALPQSJ-UHFFFAOYSA-N 2 2 335.452 1.580 20 0 EDADLP COc1ncccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000056500443 278096646 /nfs/dbraw/zinc/09/66/46/278096646.db2.gz AWUAJDYZALPQSJ-UHFFFAOYSA-N 2 2 335.452 1.580 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@H+](C)Cc1ccccc1 ZINC000343335163 278208099 /nfs/dbraw/zinc/20/80/99/278208099.db2.gz CFRPIPJBCVWEJE-MAUKXSAKSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000343335163 278208102 /nfs/dbraw/zinc/20/81/02/278208102.db2.gz CFRPIPJBCVWEJE-MAUKXSAKSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343335163 278208104 /nfs/dbraw/zinc/20/81/04/278208104.db2.gz CFRPIPJBCVWEJE-MAUKXSAKSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343335163 278208106 /nfs/dbraw/zinc/20/81/06/278208106.db2.gz CFRPIPJBCVWEJE-MAUKXSAKSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)[C@H](C)C1 ZINC000376918900 278292673 /nfs/dbraw/zinc/29/26/73/278292673.db2.gz XJPAFFPNYWSDBK-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)[C@H](C)C1 ZINC000376918900 278292676 /nfs/dbraw/zinc/29/26/76/278292676.db2.gz XJPAFFPNYWSDBK-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)[C@H](C)C1 ZINC000376918900 278292677 /nfs/dbraw/zinc/29/26/77/278292677.db2.gz XJPAFFPNYWSDBK-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)[C@H](C)C1 ZINC000376918900 278292680 /nfs/dbraw/zinc/29/26/80/278292680.db2.gz XJPAFFPNYWSDBK-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000333809357 278351150 /nfs/dbraw/zinc/35/11/50/278351150.db2.gz PIIGGJWEDXSNJC-CJNGLKHVSA-N 2 2 331.464 1.687 20 0 EDADLP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000333809357 278351151 /nfs/dbraw/zinc/35/11/51/278351151.db2.gz PIIGGJWEDXSNJC-CJNGLKHVSA-N 2 2 331.464 1.687 20 0 EDADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000286763714 288081200 /nfs/dbraw/zinc/08/12/00/288081200.db2.gz ZLUCKTBNZFIWBY-MRXNPFEDSA-N 2 2 337.855 1.631 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000286864494 288107844 /nfs/dbraw/zinc/10/78/44/288107844.db2.gz BMJUBWNHYXUDTR-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000286864494 288107845 /nfs/dbraw/zinc/10/78/45/288107845.db2.gz BMJUBWNHYXUDTR-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC000350732830 279157250 /nfs/dbraw/zinc/15/72/50/279157250.db2.gz SZBLGPJQSZMMOU-IAGOWNOFSA-N 2 2 339.528 1.138 20 0 EDADLP CC(C)C[C@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)NC(=O)OC(C)(C)C ZINC000497279193 279163242 /nfs/dbraw/zinc/16/32/42/279163242.db2.gz DSZOJRZRHGXMFR-CVEARBPZSA-N 2 2 342.528 1.761 20 0 EDADLP CC(C)C[C@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)NC(=O)OC(C)(C)C ZINC000497279193 279163244 /nfs/dbraw/zinc/16/32/44/279163244.db2.gz DSZOJRZRHGXMFR-CVEARBPZSA-N 2 2 342.528 1.761 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000346348879 279187814 /nfs/dbraw/zinc/18/78/14/279187814.db2.gz KLJVCMKCLQOUIY-KRWDZBQOSA-N 2 2 349.479 1.181 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000346348879 279187816 /nfs/dbraw/zinc/18/78/16/279187816.db2.gz KLJVCMKCLQOUIY-KRWDZBQOSA-N 2 2 349.479 1.181 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415792178 279288504 /nfs/dbraw/zinc/28/85/04/279288504.db2.gz RPWQOBMXHPHLMP-MRVPVSSYSA-N 2 2 330.230 1.626 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346922484 279336044 /nfs/dbraw/zinc/33/60/44/279336044.db2.gz KTYNGCIVSDYGCR-JFIYKMOQSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346922484 279336047 /nfs/dbraw/zinc/33/60/47/279336047.db2.gz KTYNGCIVSDYGCR-JFIYKMOQSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346922484 279336052 /nfs/dbraw/zinc/33/60/52/279336052.db2.gz KTYNGCIVSDYGCR-JFIYKMOQSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346922484 279336054 /nfs/dbraw/zinc/33/60/54/279336054.db2.gz KTYNGCIVSDYGCR-JFIYKMOQSA-N 2 2 349.523 1.990 20 0 EDADLP Cc1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc[nH+]1 ZINC000287118235 288159522 /nfs/dbraw/zinc/15/95/22/288159522.db2.gz OIZPMNUHHBEBRN-MQVJKMGUSA-N 2 2 345.447 1.595 20 0 EDADLP Cc1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc[nH+]1 ZINC000287118235 288159525 /nfs/dbraw/zinc/15/95/25/288159525.db2.gz OIZPMNUHHBEBRN-MQVJKMGUSA-N 2 2 345.447 1.595 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000287213372 288182138 /nfs/dbraw/zinc/18/21/38/288182138.db2.gz PJLUJVRAPCGNKH-QLFBSQMISA-N 2 2 347.463 1.105 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129683724 288193583 /nfs/dbraw/zinc/19/35/83/288193583.db2.gz HXRDDAVENLARHQ-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129683724 288193587 /nfs/dbraw/zinc/19/35/87/288193587.db2.gz HXRDDAVENLARHQ-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000361501642 280137049 /nfs/dbraw/zinc/13/70/49/280137049.db2.gz SFLMAYLYCNWJMB-FUHWJXTLSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000361501642 280137051 /nfs/dbraw/zinc/13/70/51/280137051.db2.gz SFLMAYLYCNWJMB-FUHWJXTLSA-N 2 2 335.492 1.574 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](C(C)C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351586353 280150023 /nfs/dbraw/zinc/15/00/23/280150023.db2.gz WMAKQGANXVEXBK-BRWVUGGUSA-N 2 2 325.497 1.673 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1CCOC ZINC000366116087 280363441 /nfs/dbraw/zinc/36/34/41/280363441.db2.gz SWCNTGKIIDMJLH-UONOGXRCSA-N 2 2 335.452 1.019 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1CCOC ZINC000366116087 280363445 /nfs/dbraw/zinc/36/34/45/280363445.db2.gz SWCNTGKIIDMJLH-UONOGXRCSA-N 2 2 335.452 1.019 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1CCOC ZINC000366116087 280363446 /nfs/dbraw/zinc/36/34/46/280363446.db2.gz SWCNTGKIIDMJLH-UONOGXRCSA-N 2 2 335.452 1.019 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1CCOC ZINC000366116087 280363448 /nfs/dbraw/zinc/36/34/48/280363448.db2.gz SWCNTGKIIDMJLH-UONOGXRCSA-N 2 2 335.452 1.019 20 0 EDADLP C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000287633657 288280587 /nfs/dbraw/zinc/28/05/87/288280587.db2.gz ABPDBZYGORAQKW-DOTOQJQBSA-N 2 2 333.476 1.905 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000287698856 288298945 /nfs/dbraw/zinc/29/89/45/288298945.db2.gz KEVDOGNINMBANP-KNXALSJPSA-N 2 2 340.418 1.959 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000287698856 288298947 /nfs/dbraw/zinc/29/89/47/288298947.db2.gz KEVDOGNINMBANP-KNXALSJPSA-N 2 2 340.418 1.959 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000356079281 288347075 /nfs/dbraw/zinc/34/70/75/288347075.db2.gz CEJOWDCXYOMHDA-KGLIPLIRSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000356079281 288347077 /nfs/dbraw/zinc/34/70/77/288347077.db2.gz CEJOWDCXYOMHDA-KGLIPLIRSA-N 2 2 340.493 1.371 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](Cc3c[nH]c4nccnc34)CC2)S1 ZINC000290333234 288881274 /nfs/dbraw/zinc/88/12/74/288881274.db2.gz CTOPSVNJXRHHCK-UHFFFAOYSA-N 2 2 330.461 1.957 20 0 EDADLP COc1cc2[nH+]c(N[C@H](C)Cn3cc[nH+]c3)nc(N)c2cc1OC ZINC000290482122 288905800 /nfs/dbraw/zinc/90/58/00/288905800.db2.gz HZWPXNFATLAAPD-SNVBAGLBSA-N 2 2 328.376 1.926 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000290488916 288906791 /nfs/dbraw/zinc/90/67/91/288906791.db2.gz VADLNPLKYRBDIW-KGLIPLIRSA-N 2 2 335.452 1.310 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290692612 288938131 /nfs/dbraw/zinc/93/81/31/288938131.db2.gz MTLLTZUXXIUEGI-CYBMUJFWSA-N 2 2 345.403 1.435 20 0 EDADLP Cn1nnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000291459312 289073425 /nfs/dbraw/zinc/07/34/25/289073425.db2.gz NGFUZALGJDDCGH-UHFFFAOYSA-N 2 2 326.448 1.698 20 0 EDADLP Cn1nnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000291459312 289073427 /nfs/dbraw/zinc/07/34/27/289073427.db2.gz NGFUZALGJDDCGH-UHFFFAOYSA-N 2 2 326.448 1.698 20 0 EDADLP C[NH+](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000373697616 289165005 /nfs/dbraw/zinc/16/50/05/289165005.db2.gz AZUBZZCKWCIEIF-XHSDSOJGSA-N 2 2 341.496 1.942 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)C(C)(C)C ZINC000376283136 289181183 /nfs/dbraw/zinc/18/11/83/289181183.db2.gz TXTOWUWTGFDVJE-HNNXBMFYSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)C(C)(C)C ZINC000341568414 289182787 /nfs/dbraw/zinc/18/27/87/289182787.db2.gz NCORZVQMFCALMC-XHSDSOJGSA-N 2 2 340.512 1.467 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)C(C)(C)C ZINC000341568414 289182791 /nfs/dbraw/zinc/18/27/91/289182791.db2.gz NCORZVQMFCALMC-XHSDSOJGSA-N 2 2 340.512 1.467 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000292088426 289258614 /nfs/dbraw/zinc/25/86/14/289258614.db2.gz MVLKBEUWUXHYQN-QGZVFWFLSA-N 2 2 331.460 1.872 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292100813 289261426 /nfs/dbraw/zinc/26/14/26/289261426.db2.gz HXHHJBKDICFQKJ-IBGZPJMESA-N 2 2 331.460 1.681 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292100813 289261428 /nfs/dbraw/zinc/26/14/28/289261428.db2.gz HXHHJBKDICFQKJ-IBGZPJMESA-N 2 2 331.460 1.681 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292100813 289261430 /nfs/dbraw/zinc/26/14/30/289261430.db2.gz HXHHJBKDICFQKJ-IBGZPJMESA-N 2 2 331.460 1.681 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292100813 289261432 /nfs/dbraw/zinc/26/14/32/289261432.db2.gz HXHHJBKDICFQKJ-IBGZPJMESA-N 2 2 331.460 1.681 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)c1 ZINC000292355750 289324394 /nfs/dbraw/zinc/32/43/94/289324394.db2.gz FJBMVSBEEJIRFV-LBPRGKRZSA-N 2 2 349.353 1.152 20 0 EDADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCn2c[nH+]cc2C1 ZINC000292498119 289363886 /nfs/dbraw/zinc/36/38/86/289363886.db2.gz QYVGBOVXWYAXLJ-INIZCTEOSA-N 2 2 325.416 1.683 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCn2c[nH+]cc2C1 ZINC000292498119 289363888 /nfs/dbraw/zinc/36/38/88/289363888.db2.gz QYVGBOVXWYAXLJ-INIZCTEOSA-N 2 2 325.416 1.683 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2csc(CC[NH3+])n2)[C@H](c2ccccc2)C1 ZINC000261747543 290033741 /nfs/dbraw/zinc/03/37/41/290033741.db2.gz OQQODMWUIDDNMA-HNNXBMFYSA-N 2 2 330.457 1.773 20 0 EDADLP C[N@H+]1CCN(C(=O)c2csc(CC[NH3+])n2)[C@H](c2ccccc2)C1 ZINC000261747543 290033743 /nfs/dbraw/zinc/03/37/43/290033743.db2.gz OQQODMWUIDDNMA-HNNXBMFYSA-N 2 2 330.457 1.773 20 0 EDADLP COC[C@]1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000495751375 293294317 /nfs/dbraw/zinc/29/43/17/293294317.db2.gz YSHLSJCALGZIFS-HDMKZQKVSA-N 2 2 341.496 1.942 20 0 EDADLP COC[C@]1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000495751375 293294321 /nfs/dbraw/zinc/29/43/21/293294321.db2.gz YSHLSJCALGZIFS-HDMKZQKVSA-N 2 2 341.496 1.942 20 0 EDADLP Cc1nc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000371335363 293317544 /nfs/dbraw/zinc/31/75/44/293317544.db2.gz JSZVHGDNARTOEE-LBPRGKRZSA-N 2 2 335.452 1.924 20 0 EDADLP Cc1nc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000371335363 293317550 /nfs/dbraw/zinc/31/75/50/293317550.db2.gz JSZVHGDNARTOEE-LBPRGKRZSA-N 2 2 335.452 1.924 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357082699 295122950 /nfs/dbraw/zinc/12/29/50/295122950.db2.gz OXZIJXLWDLSAEX-JKSUJKDBSA-N 2 2 347.459 1.204 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357082699 295122952 /nfs/dbraw/zinc/12/29/52/295122952.db2.gz OXZIJXLWDLSAEX-JKSUJKDBSA-N 2 2 347.459 1.204 20 0 EDADLP [NH3+]CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000359275079 295229123 /nfs/dbraw/zinc/22/91/23/295229123.db2.gz BSOULHKUEJOSCX-UHFFFAOYSA-N 3 2 344.503 1.580 20 0 EDADLP [NH3+]CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000359275079 295229124 /nfs/dbraw/zinc/22/91/24/295229124.db2.gz BSOULHKUEJOSCX-UHFFFAOYSA-N 3 2 344.503 1.580 20 0 EDADLP C[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000365582367 299935821 /nfs/dbraw/zinc/93/58/21/299935821.db2.gz KGMRPGQVDBRZJL-JKSUJKDBSA-N 2 2 347.463 1.340 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N1Cc2ccccc2C1 ZINC000419724354 304672428 /nfs/dbraw/zinc/67/24/28/304672428.db2.gz GYKHFMKLDRTTEL-CYBMUJFWSA-N 2 2 327.432 1.507 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000414728267 447319093 /nfs/dbraw/zinc/31/90/93/447319093.db2.gz OFDFVUJFBFBLIW-UHFFFAOYSA-N 2 2 333.436 1.183 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000456201078 447320288 /nfs/dbraw/zinc/32/02/88/447320288.db2.gz BGIIZJCAGCTZHI-KSZLIROESA-N 2 2 329.444 1.240 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000456201078 447320294 /nfs/dbraw/zinc/32/02/94/447320294.db2.gz BGIIZJCAGCTZHI-KSZLIROESA-N 2 2 329.444 1.240 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000456201078 447320302 /nfs/dbraw/zinc/32/03/02/447320302.db2.gz BGIIZJCAGCTZHI-KSZLIROESA-N 2 2 329.444 1.240 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000456201078 447320309 /nfs/dbraw/zinc/32/03/09/447320309.db2.gz BGIIZJCAGCTZHI-KSZLIROESA-N 2 2 329.444 1.240 20 0 EDADLP COc1nccnc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000294763176 303144549 /nfs/dbraw/zinc/14/45/49/303144549.db2.gz LXFGVQJWIPIOSV-UHFFFAOYSA-N 2 2 328.416 1.607 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCN2CCC(O)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000294948253 303156136 /nfs/dbraw/zinc/15/61/36/303156136.db2.gz VSVNXCRUFUFRSU-IEBWSBKVSA-N 2 2 331.504 1.943 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCN2CCC(O)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000294948253 303156137 /nfs/dbraw/zinc/15/61/37/303156137.db2.gz VSVNXCRUFUFRSU-IEBWSBKVSA-N 2 2 331.504 1.943 20 0 EDADLP COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000295038056 303165840 /nfs/dbraw/zinc/16/58/40/303165840.db2.gz MICMDVRBSVYBLM-SFHVURJKSA-N 2 2 329.400 1.884 20 0 EDADLP COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000295038056 303165841 /nfs/dbraw/zinc/16/58/41/303165841.db2.gz MICMDVRBSVYBLM-SFHVURJKSA-N 2 2 329.400 1.884 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000295248375 303194222 /nfs/dbraw/zinc/19/42/22/303194222.db2.gz UABARQGVUJPWMC-GJZGRUSLSA-N 2 2 339.505 1.968 20 0 EDADLP CCOC(=O)c1cnn(C2CC[NH+](CCn3cc[nH+]c3C)CC2)c1 ZINC000295525412 303229908 /nfs/dbraw/zinc/22/99/08/303229908.db2.gz IRJUPCDWZYJTGU-UHFFFAOYSA-N 2 2 331.420 1.902 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000295663107 303249196 /nfs/dbraw/zinc/24/91/96/303249196.db2.gz APGUNGJIFXBYDA-HNNXBMFYSA-N 2 2 338.415 1.844 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](Cc2cn3cccnc3n2)C1 ZINC000295663107 303249200 /nfs/dbraw/zinc/24/92/00/303249200.db2.gz APGUNGJIFXBYDA-HNNXBMFYSA-N 2 2 338.415 1.844 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc2nonc21 ZINC000296690290 303332379 /nfs/dbraw/zinc/33/23/79/303332379.db2.gz JLRDAKGHXIZOJC-UHFFFAOYSA-N 2 2 346.435 1.713 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc2nonc21 ZINC000296690290 303332382 /nfs/dbraw/zinc/33/23/82/303332382.db2.gz JLRDAKGHXIZOJC-UHFFFAOYSA-N 2 2 346.435 1.713 20 0 EDADLP Cc1ncsc1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000297352879 303388838 /nfs/dbraw/zinc/38/88/38/303388838.db2.gz OVNWIWIZVXEOSV-UHFFFAOYSA-N 2 2 339.509 1.319 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208433 447328286 /nfs/dbraw/zinc/32/82/86/447328286.db2.gz IIPPXWCIPSTYIC-SOLBZPMBSA-N 2 2 333.476 1.593 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208433 447328291 /nfs/dbraw/zinc/32/82/91/447328291.db2.gz IIPPXWCIPSTYIC-SOLBZPMBSA-N 2 2 333.476 1.593 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208433 447328298 /nfs/dbraw/zinc/32/82/98/447328298.db2.gz IIPPXWCIPSTYIC-SOLBZPMBSA-N 2 2 333.476 1.593 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208433 447328303 /nfs/dbraw/zinc/32/83/03/447328303.db2.gz IIPPXWCIPSTYIC-SOLBZPMBSA-N 2 2 333.476 1.593 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccc3nnc(C4CC4)n3n2)CC1 ZINC000301562489 303684737 /nfs/dbraw/zinc/68/47/37/303684737.db2.gz UUKLIWJWTMWFBV-UHFFFAOYSA-N 2 2 329.452 1.440 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000301584610 303685220 /nfs/dbraw/zinc/68/52/20/303685220.db2.gz OMJUTGCTRCVUCY-RYUDHWBXSA-N 2 2 332.408 1.284 20 0 EDADLP C[NH+](C)C1(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CCOCC1 ZINC000302878215 303739484 /nfs/dbraw/zinc/73/94/84/303739484.db2.gz GGZLRISWSGWGHF-HNNXBMFYSA-N 2 2 349.479 1.351 20 0 EDADLP CO[C@@H]1COC[C@H]1n1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)nn1 ZINC000377755315 447337559 /nfs/dbraw/zinc/33/75/59/447337559.db2.gz FJPDOSJMQQIHJI-HZPDHXFCSA-N 2 2 337.468 1.217 20 0 EDADLP COC(=O)C[C@@]1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCOC1 ZINC000420921376 304784146 /nfs/dbraw/zinc/78/41/46/304784146.db2.gz LHZMJQFRZYAXGO-IBGZPJMESA-N 2 2 348.443 1.331 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000422625149 304875018 /nfs/dbraw/zinc/87/50/18/304875018.db2.gz FSNZTSRWXWIZOY-NRXISQOPSA-N 2 2 347.463 1.452 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000423741106 304907271 /nfs/dbraw/zinc/90/72/71/304907271.db2.gz JPZJTIJWCAQXGR-QAPCUYQASA-N 2 2 349.450 1.800 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)s1 ZINC000423767504 304909278 /nfs/dbraw/zinc/90/92/78/304909278.db2.gz ZKDXTXKOALKIBV-HUUCEWRRSA-N 2 2 337.489 1.688 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423769819 304909466 /nfs/dbraw/zinc/90/94/66/304909466.db2.gz FOAVRUCZGTXNPL-INIZCTEOSA-N 2 2 341.459 1.372 20 0 EDADLP CCS(=O)(=O)c1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000425356859 304961759 /nfs/dbraw/zinc/96/17/59/304961759.db2.gz POLZXIPKXANDDN-UHFFFAOYSA-N 2 2 336.461 1.570 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[C@@H]3CC[NH2+]C3)CCCCCC2)no1 ZINC000427289882 304987938 /nfs/dbraw/zinc/98/79/38/304987938.db2.gz XIFMBRDTGRBDKL-AWEZNQCLSA-N 2 2 349.479 1.797 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCCOc1cccc(Cl)c1 ZINC000428030790 305004350 /nfs/dbraw/zinc/00/43/50/305004350.db2.gz IXWTUQAMSGDNEI-CZUORRHYSA-N 2 2 337.851 1.519 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCCOc1cccc(Cl)c1 ZINC000428030790 305004351 /nfs/dbraw/zinc/00/43/51/305004351.db2.gz IXWTUQAMSGDNEI-CZUORRHYSA-N 2 2 337.851 1.519 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038558 305005116 /nfs/dbraw/zinc/00/51/16/305005116.db2.gz YTJUSZOENJRRGT-HKUYNNGSSA-N 2 2 345.487 1.816 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038558 305005117 /nfs/dbraw/zinc/00/51/17/305005117.db2.gz YTJUSZOENJRRGT-HKUYNNGSSA-N 2 2 345.487 1.816 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2cc(C(F)(F)F)on2)CC1 ZINC000429263563 305027160 /nfs/dbraw/zinc/02/71/60/305027160.db2.gz YDHNZOOOOVVDLR-UHFFFAOYSA-N 2 2 334.342 1.292 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430571364 305056426 /nfs/dbraw/zinc/05/64/26/305056426.db2.gz CPXZTFZIULXRTB-GOSISDBHSA-N 2 2 332.448 1.021 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000430653332 305061325 /nfs/dbraw/zinc/06/13/25/305061325.db2.gz YVQOGPSPIAENHI-CYBMUJFWSA-N 2 2 345.365 1.872 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000430653332 305061326 /nfs/dbraw/zinc/06/13/26/305061326.db2.gz YVQOGPSPIAENHI-CYBMUJFWSA-N 2 2 345.365 1.872 20 0 EDADLP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)no1 ZINC000430671237 305062149 /nfs/dbraw/zinc/06/21/49/305062149.db2.gz XEAOPPXTPVRMSM-AWEZNQCLSA-N 2 2 343.431 1.332 20 0 EDADLP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)no1 ZINC000430671237 305062150 /nfs/dbraw/zinc/06/21/50/305062150.db2.gz XEAOPPXTPVRMSM-AWEZNQCLSA-N 2 2 343.431 1.332 20 0 EDADLP COCC[C@@]1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]C1 ZINC000430687003 305062355 /nfs/dbraw/zinc/06/23/55/305062355.db2.gz WWCSDBUMHYZYEG-IBGZPJMESA-N 2 2 342.443 1.564 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000430937003 305069329 /nfs/dbraw/zinc/06/93/29/305069329.db2.gz YMHCPTSKGRBJGM-CABCVRRESA-N 2 2 349.475 1.812 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000430937003 305069330 /nfs/dbraw/zinc/06/93/30/305069330.db2.gz YMHCPTSKGRBJGM-CABCVRRESA-N 2 2 349.475 1.812 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000430940678 305069599 /nfs/dbraw/zinc/06/95/99/305069599.db2.gz QJINMLXHZLGJMQ-MRXNPFEDSA-N 2 2 331.460 1.132 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000430940678 305069600 /nfs/dbraw/zinc/06/96/00/305069600.db2.gz QJINMLXHZLGJMQ-MRXNPFEDSA-N 2 2 331.460 1.132 20 0 EDADLP COCCN(C(C)=O)c1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1 ZINC000430946541 305069911 /nfs/dbraw/zinc/06/99/11/305069911.db2.gz ATTGVFLIJYJDSS-LBPRGKRZSA-N 2 2 340.493 1.702 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)cn1 ZINC000430999190 305072494 /nfs/dbraw/zinc/07/24/94/305072494.db2.gz BGVVGOCNIWEJMM-IAGOWNOFSA-N 2 2 333.480 1.362 20 0 EDADLP CCC[N@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)C1CC[NH2+]CC1 ZINC000431083067 305074574 /nfs/dbraw/zinc/07/45/74/305074574.db2.gz XNHVGNCGMRRZKU-GOSISDBHSA-N 2 2 346.475 1.054 20 0 EDADLP CCC[N@@H+](CC(=O)N[C@@H](C(=O)NC)c1ccccc1)C1CC[NH2+]CC1 ZINC000431083067 305074575 /nfs/dbraw/zinc/07/45/75/305074575.db2.gz XNHVGNCGMRRZKU-GOSISDBHSA-N 2 2 346.475 1.054 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000432245679 305089623 /nfs/dbraw/zinc/08/96/23/305089623.db2.gz KBEBHCBHQBYCEX-UHFFFAOYSA-N 2 2 341.415 1.825 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433212798 305103157 /nfs/dbraw/zinc/10/31/57/305103157.db2.gz MKZAHLRJFLHZHD-SQWLQELKSA-N 2 2 337.468 1.670 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433212798 305103158 /nfs/dbraw/zinc/10/31/58/305103158.db2.gz MKZAHLRJFLHZHD-SQWLQELKSA-N 2 2 337.468 1.670 20 0 EDADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000433552973 305111189 /nfs/dbraw/zinc/11/11/89/305111189.db2.gz HXNHCZVFAOGHKV-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000433552973 305111190 /nfs/dbraw/zinc/11/11/90/305111190.db2.gz HXNHCZVFAOGHKV-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP CCOc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000435388802 305139642 /nfs/dbraw/zinc/13/96/42/305139642.db2.gz ISWOKQCRBDXDRM-HNNXBMFYSA-N 2 2 349.475 1.736 20 0 EDADLP CCOc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000435388802 305139643 /nfs/dbraw/zinc/13/96/43/305139643.db2.gz ISWOKQCRBDXDRM-HNNXBMFYSA-N 2 2 349.475 1.736 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000435390281 305139782 /nfs/dbraw/zinc/13/97/82/305139782.db2.gz ATOQVAZSQUVDTC-HOCLYGCPSA-N 2 2 349.475 1.912 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000435390281 305139783 /nfs/dbraw/zinc/13/97/83/305139783.db2.gz ATOQVAZSQUVDTC-HOCLYGCPSA-N 2 2 349.475 1.912 20 0 EDADLP C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435622174 305143750 /nfs/dbraw/zinc/14/37/50/305143750.db2.gz QLFYDEBPVHLMNO-AWEZNQCLSA-N 2 2 326.462 1.543 20 0 EDADLP C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435622174 305143751 /nfs/dbraw/zinc/14/37/51/305143751.db2.gz QLFYDEBPVHLMNO-AWEZNQCLSA-N 2 2 326.462 1.543 20 0 EDADLP CC[C@@H](C)NC(=O)CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694558 305145479 /nfs/dbraw/zinc/14/54/79/305145479.db2.gz LWIZRNDARYEBON-HUUCEWRRSA-N 2 2 333.480 1.279 20 0 EDADLP COCCC1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCCCC1 ZINC000436247402 305154829 /nfs/dbraw/zinc/15/48/29/305154829.db2.gz OQBJGXQDVWUUOB-INIZCTEOSA-N 2 2 325.497 1.903 20 0 EDADLP COCCC1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCCCC1 ZINC000436247402 305154830 /nfs/dbraw/zinc/15/48/30/305154830.db2.gz OQBJGXQDVWUUOB-INIZCTEOSA-N 2 2 325.497 1.903 20 0 EDADLP CS[C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H]1[NH+]1CCCC1 ZINC000445596945 305259205 /nfs/dbraw/zinc/25/92/05/305259205.db2.gz PXDXZMCCUFZFNT-GJZGRUSLSA-N 2 2 349.504 1.329 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000449319763 305311344 /nfs/dbraw/zinc/31/13/44/305311344.db2.gz HBIFFCQDWKEANS-ORIJERBGSA-N 2 2 332.448 1.167 20 0 EDADLP CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000451563643 305353807 /nfs/dbraw/zinc/35/38/07/305353807.db2.gz JWHCWZZLYRLRFY-YESZJQIVSA-N 2 2 346.475 1.476 20 0 EDADLP CO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000451622998 305356835 /nfs/dbraw/zinc/35/68/35/305356835.db2.gz IZEZYJPLQRTGGQ-HZPDHXFCSA-N 2 2 332.448 1.277 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000515144714 305715866 /nfs/dbraw/zinc/71/58/66/305715866.db2.gz AIYGNXHPNUVXEU-UONOGXRCSA-N 2 2 341.406 1.610 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)n1C ZINC000419697087 447355256 /nfs/dbraw/zinc/35/52/56/447355256.db2.gz QCTGMFAPGROXQM-FUHWJXTLSA-N 2 2 332.423 1.881 20 0 EDADLP C[C@H](c1cccc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1)[NH+]1CCOCC1 ZINC000519809393 305775370 /nfs/dbraw/zinc/77/53/70/305775370.db2.gz HYIWHPKDPJKKQI-VZEFYGNVSA-N 2 2 330.432 1.419 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000521242013 305787218 /nfs/dbraw/zinc/78/72/18/305787218.db2.gz LYBHXYYAHXUHKA-SFHVURJKSA-N 2 2 332.492 1.511 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000414938669 447363807 /nfs/dbraw/zinc/36/38/07/447363807.db2.gz DFSVVHKTHYEEPS-UHFFFAOYSA-N 2 2 347.463 1.477 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000456339278 447365115 /nfs/dbraw/zinc/36/51/15/447365115.db2.gz CRKLSZNBSMFAAY-QGZVFWFLSA-N 2 2 345.491 1.390 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000456339278 447365124 /nfs/dbraw/zinc/36/51/24/447365124.db2.gz CRKLSZNBSMFAAY-QGZVFWFLSA-N 2 2 345.491 1.390 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000531400624 305958516 /nfs/dbraw/zinc/95/85/16/305958516.db2.gz NQQLAWUVSCOXBB-HOTGVXAUSA-N 2 2 348.495 1.120 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000533574120 306001472 /nfs/dbraw/zinc/00/14/72/306001472.db2.gz GFDLXGACEMUTCR-JKSUJKDBSA-N 2 2 331.464 1.690 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000533574120 306001473 /nfs/dbraw/zinc/00/14/73/306001473.db2.gz GFDLXGACEMUTCR-JKSUJKDBSA-N 2 2 331.464 1.690 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H]1c1ccccc1 ZINC000536266633 306019604 /nfs/dbraw/zinc/01/96/04/306019604.db2.gz KJZHLXLDZXWMFX-YJBOKZPZSA-N 2 2 348.410 1.838 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H]1c1ccccc1 ZINC000536266633 306019605 /nfs/dbraw/zinc/01/96/05/306019605.db2.gz KJZHLXLDZXWMFX-YJBOKZPZSA-N 2 2 348.410 1.838 20 0 EDADLP CCCCNC(=O)NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536368701 306020463 /nfs/dbraw/zinc/02/04/63/306020463.db2.gz DPWQAPKWQLUITC-UHFFFAOYSA-N 2 2 333.436 1.584 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)C ZINC000543453087 306063913 /nfs/dbraw/zinc/06/39/13/306063913.db2.gz DRMBWWZHSTVCKB-MRXNPFEDSA-N 2 2 339.505 1.653 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccon1 ZINC000543590419 306065464 /nfs/dbraw/zinc/06/54/64/306065464.db2.gz HWYKRMSBVSEGDA-OAHLLOKOSA-N 2 2 328.416 1.670 20 0 EDADLP Cn1c[nH+]cc1Cc1noc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000547255877 306097155 /nfs/dbraw/zinc/09/71/55/306097155.db2.gz QIJHDVWRNBLVKK-MRXNPFEDSA-N 2 2 339.399 1.967 20 0 EDADLP Cn1c[nH+]cc1Cc1noc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000547255877 306097156 /nfs/dbraw/zinc/09/71/56/306097156.db2.gz QIJHDVWRNBLVKK-MRXNPFEDSA-N 2 2 339.399 1.967 20 0 EDADLP Cc1nccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000548523710 306130443 /nfs/dbraw/zinc/13/04/43/306130443.db2.gz OEGMIYFDUQCMDL-UHFFFAOYSA-N 2 2 346.479 1.857 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000548917307 306142155 /nfs/dbraw/zinc/14/21/55/306142155.db2.gz HSEKBQGVCBHNST-SJORKVTESA-N 2 2 335.492 1.717 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000548917307 306142156 /nfs/dbraw/zinc/14/21/56/306142156.db2.gz HSEKBQGVCBHNST-SJORKVTESA-N 2 2 335.492 1.717 20 0 EDADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cn2ccccc2n1 ZINC000551266751 306156896 /nfs/dbraw/zinc/15/68/96/306156896.db2.gz DQLBFVRINIPSRN-KRWDZBQOSA-N 2 2 345.491 1.375 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000551945697 306170137 /nfs/dbraw/zinc/17/01/37/306170137.db2.gz SGOWQWRSUHUCAU-UHFFFAOYSA-N 2 2 342.443 1.781 20 0 EDADLP Cc1[nH+]ccn1CCN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000551945697 306170138 /nfs/dbraw/zinc/17/01/38/306170138.db2.gz SGOWQWRSUHUCAU-UHFFFAOYSA-N 2 2 342.443 1.781 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000553187580 306183480 /nfs/dbraw/zinc/18/34/80/306183480.db2.gz IASBEFFAQSTDPR-RDJZCZTQSA-N 2 2 347.507 1.144 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000553187580 306183481 /nfs/dbraw/zinc/18/34/81/306183481.db2.gz IASBEFFAQSTDPR-RDJZCZTQSA-N 2 2 347.507 1.144 20 0 EDADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556818907 306218446 /nfs/dbraw/zinc/21/84/46/306218446.db2.gz FQBOSKSEEWSIPO-FOQHCXHFSA-N 2 2 334.460 1.359 20 0 EDADLP Brc1ccc2ncc(C[NH2+]C[C@H]3C[NH2+]CCCO3)n2c1 ZINC000556952172 306221891 /nfs/dbraw/zinc/22/18/91/306221891.db2.gz GWTGFUWCPKSFMR-CYBMUJFWSA-N 2 2 339.237 1.565 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)n1C ZINC000419716450 447369373 /nfs/dbraw/zinc/36/93/73/447369373.db2.gz YDERDZWYJSYCIV-OAGGEKHMSA-N 2 2 346.479 1.970 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]1CCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000426219494 447399925 /nfs/dbraw/zinc/39/99/25/447399925.db2.gz IPLKWLPLZKJFJP-GOSISDBHSA-N 2 2 331.460 1.178 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]1CCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000426219494 447399928 /nfs/dbraw/zinc/39/99/28/447399928.db2.gz IPLKWLPLZKJFJP-GOSISDBHSA-N 2 2 331.460 1.178 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3cc(C)[nH+]c(C)c3)C2)CC1 ZINC000422199375 447401076 /nfs/dbraw/zinc/40/10/76/447401076.db2.gz DLQWBMLOJCPNMZ-GOSISDBHSA-N 2 2 345.491 1.620 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc(C)[nH+]1 ZINC000422205234 447401909 /nfs/dbraw/zinc/40/19/09/447401909.db2.gz JTTNZVWAJXWLRT-KRWDZBQOSA-N 2 2 334.464 1.590 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2n(n1)CCCC2 ZINC000449889091 447407967 /nfs/dbraw/zinc/40/79/67/447407967.db2.gz PLAJTHZDZYYSTR-UHFFFAOYSA-N 2 2 333.480 1.317 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2n(n1)CCCC2 ZINC000449889091 447407975 /nfs/dbraw/zinc/40/79/75/447407975.db2.gz PLAJTHZDZYYSTR-UHFFFAOYSA-N 2 2 333.480 1.317 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000493855664 447412962 /nfs/dbraw/zinc/41/29/62/447412962.db2.gz KTPUFEMUYUTQSD-PRVDXRAFSA-N 2 2 340.427 1.422 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000493855664 447412968 /nfs/dbraw/zinc/41/29/68/447412968.db2.gz KTPUFEMUYUTQSD-PRVDXRAFSA-N 2 2 340.427 1.422 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426332993 447416773 /nfs/dbraw/zinc/41/67/73/447416773.db2.gz YFSKZUJERRKFJL-UHFFFAOYSA-N 2 2 325.497 1.679 20 0 EDADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H](CO)CC(C)(C)C ZINC000458586528 447422552 /nfs/dbraw/zinc/42/25/52/447422552.db2.gz ITJIWVWSDRBTFC-INIZCTEOSA-N 2 2 342.528 1.451 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1CCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000070949908 441128990 /nfs/dbraw/zinc/12/89/90/441128990.db2.gz MCNJSFPIBQWAOL-IBGZPJMESA-N 2 2 345.487 1.568 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1CCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000070949908 441128993 /nfs/dbraw/zinc/12/89/93/441128993.db2.gz MCNJSFPIBQWAOL-IBGZPJMESA-N 2 2 345.487 1.568 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000057818787 441136546 /nfs/dbraw/zinc/13/65/46/441136546.db2.gz IUZMNZOKYLNJLD-KRWDZBQOSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000057818787 441136549 /nfs/dbraw/zinc/13/65/49/441136549.db2.gz IUZMNZOKYLNJLD-KRWDZBQOSA-N 2 2 327.432 1.825 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104070241 441188376 /nfs/dbraw/zinc/18/83/76/441188376.db2.gz PVWNGFQNKIRRMQ-NXHRZFHOSA-N 2 2 337.508 1.996 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104070241 441188382 /nfs/dbraw/zinc/18/83/82/441188382.db2.gz PVWNGFQNKIRRMQ-NXHRZFHOSA-N 2 2 337.508 1.996 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000047028729 441149878 /nfs/dbraw/zinc/14/98/78/441149878.db2.gz KMDPDCCSUBQVSM-QGZVFWFLSA-N 2 2 341.459 1.842 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000105178871 441241341 /nfs/dbraw/zinc/24/13/41/441241341.db2.gz IRHMQAPNRQCRPT-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000105178871 441241345 /nfs/dbraw/zinc/24/13/45/441241345.db2.gz IRHMQAPNRQCRPT-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](CO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000072801472 441260707 /nfs/dbraw/zinc/26/07/07/441260707.db2.gz QFAKWKCLXBBJIF-OAHLLOKOSA-N 2 2 337.489 1.097 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](CO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000072801472 441260712 /nfs/dbraw/zinc/26/07/12/441260712.db2.gz QFAKWKCLXBBJIF-OAHLLOKOSA-N 2 2 337.489 1.097 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NCCCC[NH+]3CCOCC3)nc[nH+]2)C1 ZINC000105787866 441268349 /nfs/dbraw/zinc/26/83/49/441268349.db2.gz IJJADPXCKSPVSQ-MRXNPFEDSA-N 2 2 349.479 1.210 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NCCCC[NH+]3CCOCC3)[nH+]cn2)C1 ZINC000105787866 441268352 /nfs/dbraw/zinc/26/83/52/441268352.db2.gz IJJADPXCKSPVSQ-MRXNPFEDSA-N 2 2 349.479 1.210 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000073569894 441325899 /nfs/dbraw/zinc/32/58/99/441325899.db2.gz ZSVBQANWEUNXIV-QGZVFWFLSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000081724673 441304757 /nfs/dbraw/zinc/30/47/57/441304757.db2.gz JQMBFVUDXIAJNP-MRXNPFEDSA-N 3 2 335.496 1.493 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000106901353 441386864 /nfs/dbraw/zinc/38/68/64/441386864.db2.gz XYLMGSLEWJGHCF-MSOLQXFVSA-N 2 2 333.476 1.590 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000106901353 441386866 /nfs/dbraw/zinc/38/68/66/441386866.db2.gz XYLMGSLEWJGHCF-MSOLQXFVSA-N 2 2 333.476 1.590 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH+]1CCOCC1 ZINC000074192944 441406006 /nfs/dbraw/zinc/40/60/06/441406006.db2.gz APABPQDBVWRGSH-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000085361792 441433557 /nfs/dbraw/zinc/43/35/57/441433557.db2.gz NQMVEELXGOFJAK-ZNMIVQPWSA-N 2 2 328.501 1.371 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000074157309 441400398 /nfs/dbraw/zinc/40/03/98/441400398.db2.gz UJAKKASWNTYBTD-QGZVFWFLSA-N 2 2 337.508 1.822 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000052871310 441482853 /nfs/dbraw/zinc/48/28/53/441482853.db2.gz QPFFTPFUHOVCLB-IBGZPJMESA-N 2 2 345.487 1.486 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CO)CC1 ZINC000052871310 441482860 /nfs/dbraw/zinc/48/28/60/441482860.db2.gz QPFFTPFUHOVCLB-IBGZPJMESA-N 2 2 345.487 1.486 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000087455026 441491674 /nfs/dbraw/zinc/49/16/74/441491674.db2.gz SOMXVHDSXDGFFM-UHFFFAOYSA-N 2 2 325.403 1.650 20 0 EDADLP C[C@H]1C[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)S1 ZINC000075893326 441565139 /nfs/dbraw/zinc/56/51/39/441565139.db2.gz JWQQHRYSMKKNLB-HOTGVXAUSA-N 2 2 348.516 1.946 20 0 EDADLP c1cncc(C[NH+]2CCC([NH2+]C[C@H]3CN(C4CC4)CCO3)CC2)c1 ZINC000089678486 441569645 /nfs/dbraw/zinc/56/96/45/441569645.db2.gz QATSPHXZHBZGSV-IBGZPJMESA-N 2 2 330.476 1.499 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926475 441596580 /nfs/dbraw/zinc/59/65/80/441596580.db2.gz PRHMRQSFUNHFLG-MRXNPFEDSA-N 2 2 330.432 1.290 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000076094991 441597205 /nfs/dbraw/zinc/59/72/05/441597205.db2.gz HFJIOXBYYGIREG-UHFFFAOYSA-N 2 2 347.385 1.929 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076300423 441625564 /nfs/dbraw/zinc/62/55/64/441625564.db2.gz ULFSGBNLRJAAOQ-LBPRGKRZSA-N 2 2 345.447 1.667 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076300423 441625568 /nfs/dbraw/zinc/62/55/68/441625568.db2.gz ULFSGBNLRJAAOQ-LBPRGKRZSA-N 2 2 345.447 1.667 20 0 EDADLP O=C(Cn1cc[nH+]c1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000076830540 441687796 /nfs/dbraw/zinc/68/77/96/441687796.db2.gz FOATULQGNHJKQA-UHFFFAOYSA-N 2 2 327.432 1.212 20 0 EDADLP O=C(C[NH+]1CCSCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076678326 441674893 /nfs/dbraw/zinc/67/48/93/441674893.db2.gz ZAXBRXIXXQKUGY-UHFFFAOYSA-N 2 2 333.501 1.947 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077224692 441737411 /nfs/dbraw/zinc/73/74/11/441737411.db2.gz IRONDHBLPZCPRC-HNNXBMFYSA-N 2 2 335.415 1.941 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(CO)c1 ZINC000121609648 441741544 /nfs/dbraw/zinc/74/15/44/441741544.db2.gz ZBKXOPCALDESSU-CRAIPNDOSA-N 2 2 333.476 1.772 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(CO)c1 ZINC000121609648 441741552 /nfs/dbraw/zinc/74/15/52/441741552.db2.gz ZBKXOPCALDESSU-CRAIPNDOSA-N 2 2 333.476 1.772 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000158684139 441755774 /nfs/dbraw/zinc/75/57/74/441755774.db2.gz FWEBPTHKGLBTHX-LAELXIFRSA-N 2 2 334.464 1.920 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000158684139 441755782 /nfs/dbraw/zinc/75/57/82/441755782.db2.gz FWEBPTHKGLBTHX-LAELXIFRSA-N 2 2 334.464 1.920 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)n1 ZINC000173370070 441726984 /nfs/dbraw/zinc/72/69/84/441726984.db2.gz PSXSDAQNEAPXOE-OAHLLOKOSA-N 2 2 328.420 1.449 20 0 EDADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000116400031 441818992 /nfs/dbraw/zinc/81/89/92/441818992.db2.gz REGMHRLUUIWLIU-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000116400031 441818996 /nfs/dbraw/zinc/81/89/96/441818996.db2.gz REGMHRLUUIWLIU-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)O1 ZINC000068475513 441806819 /nfs/dbraw/zinc/80/68/19/441806819.db2.gz LABXITROTDFAEJ-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)O1 ZINC000068475513 441806824 /nfs/dbraw/zinc/80/68/24/441806824.db2.gz LABXITROTDFAEJ-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP CCOC(=O)CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000092532346 441807335 /nfs/dbraw/zinc/80/73/35/441807335.db2.gz PPGUXGVSOCSLFV-UHFFFAOYSA-N 2 2 347.463 1.146 20 0 EDADLP CCOC(=O)CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000092532346 441807340 /nfs/dbraw/zinc/80/73/40/441807340.db2.gz PPGUXGVSOCSLFV-UHFFFAOYSA-N 2 2 347.463 1.146 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000173921290 441862049 /nfs/dbraw/zinc/86/20/49/441862049.db2.gz JDIXADQXVPKPBQ-MRXNPFEDSA-N 2 2 333.476 1.927 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000173921290 441862054 /nfs/dbraw/zinc/86/20/54/441862054.db2.gz JDIXADQXVPKPBQ-MRXNPFEDSA-N 2 2 333.476 1.927 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000173921290 441862057 /nfs/dbraw/zinc/86/20/57/441862057.db2.gz JDIXADQXVPKPBQ-MRXNPFEDSA-N 2 2 333.476 1.927 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000173921290 441862061 /nfs/dbraw/zinc/86/20/61/441862061.db2.gz JDIXADQXVPKPBQ-MRXNPFEDSA-N 2 2 333.476 1.927 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000122988161 441871258 /nfs/dbraw/zinc/87/12/58/441871258.db2.gz CTWPSAIOEDOKNK-SFHVURJKSA-N 2 2 347.459 1.311 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000122988161 441871263 /nfs/dbraw/zinc/87/12/63/441871263.db2.gz CTWPSAIOEDOKNK-SFHVURJKSA-N 2 2 347.459 1.311 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173879229 441853996 /nfs/dbraw/zinc/85/39/96/441853996.db2.gz ZDQUZVQNIZLAQD-MRXNPFEDSA-N 2 2 333.480 1.186 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173879229 441854002 /nfs/dbraw/zinc/85/40/02/441854002.db2.gz ZDQUZVQNIZLAQD-MRXNPFEDSA-N 2 2 333.480 1.186 20 0 EDADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078146821 441904014 /nfs/dbraw/zinc/90/40/14/441904014.db2.gz BUJLKLFIQOKONN-WMZOPIPTSA-N 2 2 342.443 1.679 20 0 EDADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078146821 441904018 /nfs/dbraw/zinc/90/40/18/441904018.db2.gz BUJLKLFIQOKONN-WMZOPIPTSA-N 2 2 342.443 1.679 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174237444 441905179 /nfs/dbraw/zinc/90/51/79/441905179.db2.gz ASQOIBLYSLOPJG-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174237444 441905187 /nfs/dbraw/zinc/90/51/87/441905187.db2.gz ASQOIBLYSLOPJG-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP CC[N@H+](CCCC(=O)NC(N)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391743 441921636 /nfs/dbraw/zinc/92/16/36/441921636.db2.gz GNJKPULPAJBZRI-UHFFFAOYSA-N 2 2 347.463 1.595 20 0 EDADLP CC[N@@H+](CCCC(=O)NC(N)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391743 441921643 /nfs/dbraw/zinc/92/16/43/441921643.db2.gz GNJKPULPAJBZRI-UHFFFAOYSA-N 2 2 347.463 1.595 20 0 EDADLP C[C@@H](C(=O)Nc1nccs1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721929 441959786 /nfs/dbraw/zinc/95/97/86/441959786.db2.gz CMKAESUEQAUMEI-ZDUSSCGKSA-N 2 2 325.482 1.039 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079060072 442013899 /nfs/dbraw/zinc/01/38/99/442013899.db2.gz JEQCDGWJTWPRTB-OAHLLOKOSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000079270286 442033930 /nfs/dbraw/zinc/03/39/30/442033930.db2.gz JVPYVKMXKPNWMB-KRWDZBQOSA-N 2 2 345.491 1.641 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000079270286 442033934 /nfs/dbraw/zinc/03/39/34/442033934.db2.gz JVPYVKMXKPNWMB-KRWDZBQOSA-N 2 2 345.491 1.641 20 0 EDADLP CC(C)[C@H](CCO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000161886032 442040050 /nfs/dbraw/zinc/04/00/50/442040050.db2.gz NTOYBHQXCTXLNX-INIZCTEOSA-N 2 2 334.464 1.117 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000151309389 442041008 /nfs/dbraw/zinc/04/10/08/442041008.db2.gz ANFHMHDOGZBGSK-HNNXBMFYSA-N 2 2 328.420 1.507 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120539119 442091007 /nfs/dbraw/zinc/09/10/07/442091007.db2.gz BKLKZYABYDTKQU-CVEARBPZSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000120539119 442091010 /nfs/dbraw/zinc/09/10/10/442091010.db2.gz BKLKZYABYDTKQU-CVEARBPZSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)C1 ZINC000456721596 447445775 /nfs/dbraw/zinc/44/57/75/447445775.db2.gz QUGGGZZWRPQHJA-SJCJKPOMSA-N 2 2 346.431 1.557 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@@H](C)CO)C1 ZINC000456721596 447445780 /nfs/dbraw/zinc/44/57/80/447445780.db2.gz QUGGGZZWRPQHJA-SJCJKPOMSA-N 2 2 346.431 1.557 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000120433920 442071658 /nfs/dbraw/zinc/07/16/58/442071658.db2.gz QMEYMFGLQISLBH-SFHVURJKSA-N 2 2 347.463 1.347 20 0 EDADLP C[C@@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000151567938 442085952 /nfs/dbraw/zinc/08/59/52/442085952.db2.gz KDYFWXMRKIYPOM-CVEARBPZSA-N 2 2 335.452 1.198 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C[NH+]1CCCC1 ZINC000080050065 442110409 /nfs/dbraw/zinc/11/04/09/442110409.db2.gz YZECVNVVQMWMMT-QGZVFWFLSA-N 2 2 345.491 1.641 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000151960493 442147263 /nfs/dbraw/zinc/14/72/63/442147263.db2.gz RNGBWFSAULLQGC-CVEARBPZSA-N 2 2 333.480 1.463 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000151960493 442147266 /nfs/dbraw/zinc/14/72/66/442147266.db2.gz RNGBWFSAULLQGC-CVEARBPZSA-N 2 2 333.480 1.463 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000151960493 442147270 /nfs/dbraw/zinc/14/72/70/442147270.db2.gz RNGBWFSAULLQGC-CVEARBPZSA-N 2 2 333.480 1.463 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000151960493 442147272 /nfs/dbraw/zinc/14/72/72/442147272.db2.gz RNGBWFSAULLQGC-CVEARBPZSA-N 2 2 333.480 1.463 20 0 EDADLP [NH3+][C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]2CC[C@H]1C2 ZINC000163526089 442172218 /nfs/dbraw/zinc/17/22/18/442172218.db2.gz KHRPXLXANLVXBV-ZRSRNVLSSA-N 2 2 343.471 1.377 20 0 EDADLP [NH3+][C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]2CC[C@H]1C2 ZINC000163526089 442172220 /nfs/dbraw/zinc/17/22/20/442172220.db2.gz KHRPXLXANLVXBV-ZRSRNVLSSA-N 2 2 343.471 1.377 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000164894412 442205071 /nfs/dbraw/zinc/20/50/71/442205071.db2.gz HAIVYUDZWMBMLH-PKOBYXMFSA-N 2 2 331.460 1.484 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2OC)CC[N@@H+]1CCOC ZINC000168062451 442222826 /nfs/dbraw/zinc/22/28/26/442222826.db2.gz LJIBMLGWKVAMCW-WMLDXEAASA-N 2 2 335.448 1.264 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2OC)CC[N@H+]1CCOC ZINC000168062451 442222830 /nfs/dbraw/zinc/22/28/30/442222830.db2.gz LJIBMLGWKVAMCW-WMLDXEAASA-N 2 2 335.448 1.264 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CSC[NH2+]3)CC2)cs1 ZINC000168624114 442224576 /nfs/dbraw/zinc/22/45/76/442224576.db2.gz PCBKIQQHLGPNOQ-AWEZNQCLSA-N 2 2 340.518 1.442 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000170834134 442271919 /nfs/dbraw/zinc/27/19/19/442271919.db2.gz LAONKMRIKZJCHT-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000170834134 442271920 /nfs/dbraw/zinc/27/19/20/442271920.db2.gz LAONKMRIKZJCHT-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]([C@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000170918733 442288904 /nfs/dbraw/zinc/28/89/04/442288904.db2.gz MXPPBMGBVXDIRP-LSDHHAIUSA-N 2 2 334.464 1.979 20 0 EDADLP Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177146819 442305358 /nfs/dbraw/zinc/30/53/58/442305358.db2.gz FALPYSWRDYGRKB-CQSZACIVSA-N 2 2 349.523 1.358 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC)CC1 ZINC000177050520 442290353 /nfs/dbraw/zinc/29/03/53/442290353.db2.gz FZJQXIBDGJNKAU-MRXNPFEDSA-N 2 2 341.496 1.497 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC)CC1 ZINC000177050520 442290356 /nfs/dbraw/zinc/29/03/56/442290356.db2.gz FZJQXIBDGJNKAU-MRXNPFEDSA-N 2 2 341.496 1.497 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)C[NH+](C)[C@@H]3CCSC3)sc2C1 ZINC000153662941 442294632 /nfs/dbraw/zinc/29/46/32/442294632.db2.gz PDVOIAUJRLLVHS-LLVKDONJSA-N 2 2 340.518 1.897 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)C[NH+](C)[C@@H]3CCSC3)sc2C1 ZINC000153662941 442294635 /nfs/dbraw/zinc/29/46/35/442294635.db2.gz PDVOIAUJRLLVHS-LLVKDONJSA-N 2 2 340.518 1.897 20 0 EDADLP CC[NH+]1CCc2nc(NC(=O)C[N@H+](C)[C@@H]3CCSC3)sc2C1 ZINC000153662941 442294637 /nfs/dbraw/zinc/29/46/37/442294637.db2.gz PDVOIAUJRLLVHS-LLVKDONJSA-N 2 2 340.518 1.897 20 0 EDADLP CC[NH+]1CCc2nc(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)sc2C1 ZINC000153662941 442294638 /nfs/dbraw/zinc/29/46/38/442294638.db2.gz PDVOIAUJRLLVHS-LLVKDONJSA-N 2 2 340.518 1.897 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000170987127 442296532 /nfs/dbraw/zinc/29/65/32/442296532.db2.gz HDKRMVPCORSJBZ-OAHLLOKOSA-N 2 2 345.443 1.106 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000171039227 442302800 /nfs/dbraw/zinc/30/28/00/442302800.db2.gz KBBQHFXONVTXCQ-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177253680 442320468 /nfs/dbraw/zinc/32/04/68/442320468.db2.gz HWTLWWLZRAIPEK-DZGCQCFKSA-N 2 2 325.478 1.682 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177253680 442320471 /nfs/dbraw/zinc/32/04/71/442320471.db2.gz HWTLWWLZRAIPEK-DZGCQCFKSA-N 2 2 325.478 1.682 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000154328248 442332717 /nfs/dbraw/zinc/33/27/17/442332717.db2.gz HNVQEAOHCUATEP-SWLSCSKDSA-N 2 2 329.466 1.021 20 0 EDADLP CC(C)N(C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000177380216 442333930 /nfs/dbraw/zinc/33/39/30/442333930.db2.gz KCNFQSDWJYFHGS-UHFFFAOYSA-N 2 2 326.529 1.590 20 0 EDADLP CC(C)N(C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000177380216 442333934 /nfs/dbraw/zinc/33/39/34/442333934.db2.gz KCNFQSDWJYFHGS-UHFFFAOYSA-N 2 2 326.529 1.590 20 0 EDADLP CC(C)N(C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000177380216 442333936 /nfs/dbraw/zinc/33/39/36/442333936.db2.gz KCNFQSDWJYFHGS-UHFFFAOYSA-N 2 2 326.529 1.590 20 0 EDADLP CC(C)N(C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000177380216 442333939 /nfs/dbraw/zinc/33/39/39/442333939.db2.gz KCNFQSDWJYFHGS-UHFFFAOYSA-N 2 2 326.529 1.590 20 0 EDADLP CN1C(=O)C[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000130437912 442346614 /nfs/dbraw/zinc/34/66/14/442346614.db2.gz BSSYMLZHSGKWKB-KURKYZTESA-N 2 2 341.455 1.730 20 0 EDADLP CN1C(=O)C[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000130437912 442346616 /nfs/dbraw/zinc/34/66/16/442346616.db2.gz BSSYMLZHSGKWKB-KURKYZTESA-N 2 2 341.455 1.730 20 0 EDADLP CN1C(=O)C[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC000130437912 442346618 /nfs/dbraw/zinc/34/66/18/442346618.db2.gz BSSYMLZHSGKWKB-KURKYZTESA-N 2 2 341.455 1.730 20 0 EDADLP CN1C(=O)C[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1=O ZINC000130437912 442346619 /nfs/dbraw/zinc/34/66/19/442346619.db2.gz BSSYMLZHSGKWKB-KURKYZTESA-N 2 2 341.455 1.730 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129233858 442307724 /nfs/dbraw/zinc/30/77/24/442307724.db2.gz YLPYAKRWLQYBPX-IEBWSBKVSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129233858 442307726 /nfs/dbraw/zinc/30/77/26/442307726.db2.gz YLPYAKRWLQYBPX-IEBWSBKVSA-N 2 2 345.487 1.654 20 0 EDADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000171080996 442308667 /nfs/dbraw/zinc/30/86/67/442308667.db2.gz KQXIODGFFNMFNU-IAGOWNOFSA-N 2 2 345.491 1.180 20 0 EDADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000171080996 442308670 /nfs/dbraw/zinc/30/86/70/442308670.db2.gz KQXIODGFFNMFNU-IAGOWNOFSA-N 2 2 345.491 1.180 20 0 EDADLP c1cn(-c2ccc(CN3CC[NH+](CC4CCOCC4)CC3)cn2)c[nH+]1 ZINC000177203107 442313378 /nfs/dbraw/zinc/31/33/78/442313378.db2.gz MYOHKRVWWMJIPD-UHFFFAOYSA-N 2 2 341.459 1.812 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000155952416 442438527 /nfs/dbraw/zinc/43/85/27/442438527.db2.gz KXGLSDURQMIEGZ-CVEARBPZSA-N 2 2 334.464 1.309 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134166387 442454630 /nfs/dbraw/zinc/45/46/30/442454630.db2.gz BJDASESQKPCLID-OAHLLOKOSA-N 2 2 348.495 1.360 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccncc1 ZINC000156545811 442493213 /nfs/dbraw/zinc/49/32/13/442493213.db2.gz CAQDKSXQSDAFPJ-MRXNPFEDSA-N 2 2 339.443 1.866 20 0 EDADLP CC[C@]1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134597663 442499169 /nfs/dbraw/zinc/49/91/69/442499169.db2.gz DYILTZDQZULDRJ-IEBWSBKVSA-N 2 2 331.460 1.396 20 0 EDADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1C[NH2+]CCO1 ZINC000178719267 442462515 /nfs/dbraw/zinc/46/25/15/442462515.db2.gz POPKDQHSYSJWSG-INIZCTEOSA-N 2 2 326.400 1.813 20 0 EDADLP CC(=O)c1c[nH]c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000172850732 442555531 /nfs/dbraw/zinc/55/55/31/442555531.db2.gz XYUXIEHRELBJJR-UHFFFAOYSA-N 2 2 346.475 1.897 20 0 EDADLP COC(=O)[C@]1(C)CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000186357941 442519266 /nfs/dbraw/zinc/51/92/66/442519266.db2.gz SLYIZHYNSVCWDJ-KRWDZBQOSA-N 2 2 325.453 1.003 20 0 EDADLP COC(=O)[C@]1(C)CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000186357941 442519271 /nfs/dbraw/zinc/51/92/71/442519271.db2.gz SLYIZHYNSVCWDJ-KRWDZBQOSA-N 2 2 325.453 1.003 20 0 EDADLP O=C1O[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CN1c1ccccc1 ZINC000172934405 442569691 /nfs/dbraw/zinc/56/96/91/442569691.db2.gz LVCUNYAVEPGIMK-AEFFLSMTSA-N 2 2 345.443 1.666 20 0 EDADLP O=C1O[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CN1c1ccccc1 ZINC000172934405 442569693 /nfs/dbraw/zinc/56/96/93/442569693.db2.gz LVCUNYAVEPGIMK-AEFFLSMTSA-N 2 2 345.443 1.666 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000157571672 442593582 /nfs/dbraw/zinc/59/35/82/442593582.db2.gz MSCIVICWYBWMMT-OAHLLOKOSA-N 2 2 325.453 1.550 20 0 EDADLP CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192143790 442602722 /nfs/dbraw/zinc/60/27/22/442602722.db2.gz FNDVTSYTFMMDKR-KRWDZBQOSA-N 2 2 348.472 1.694 20 0 EDADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000192143790 442602727 /nfs/dbraw/zinc/60/27/27/442602727.db2.gz FNDVTSYTFMMDKR-KRWDZBQOSA-N 2 2 348.472 1.694 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000192359044 442639896 /nfs/dbraw/zinc/63/98/96/442639896.db2.gz XDEICJKWKQQQKK-PBHICJAKSA-N 2 2 331.460 1.912 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCOCC1 ZINC000157907942 442626673 /nfs/dbraw/zinc/62/66/73/442626673.db2.gz JCBRCSMJPPSALQ-MRXNPFEDSA-N 2 2 348.447 1.355 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000181631891 442707392 /nfs/dbraw/zinc/70/73/92/442707392.db2.gz LZZCILVQWQEHTQ-UHFFFAOYSA-N 2 2 333.436 1.396 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000181631891 442707395 /nfs/dbraw/zinc/70/73/95/442707395.db2.gz LZZCILVQWQEHTQ-UHFFFAOYSA-N 2 2 333.436 1.396 20 0 EDADLP Cc1cccc([C@H](CNC(=O)c2coc(C[NH3+])c2)[NH+]2CCOCC2)c1 ZINC000188070655 442707601 /nfs/dbraw/zinc/70/76/01/442707601.db2.gz FMQWUBVOGSQPSO-SFHVURJKSA-N 2 2 343.427 1.850 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000192534446 442659091 /nfs/dbraw/zinc/65/90/91/442659091.db2.gz IRTVTIVOCCNTSE-IEXSPKMKSA-N 2 2 340.427 1.722 20 0 EDADLP CN(C(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000188292405 442734850 /nfs/dbraw/zinc/73/48/50/442734850.db2.gz JXJKKKMGWSMOEZ-IBGZPJMESA-N 2 2 331.460 1.176 20 0 EDADLP CN(C(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000188292405 442734852 /nfs/dbraw/zinc/73/48/52/442734852.db2.gz JXJKKKMGWSMOEZ-IBGZPJMESA-N 2 2 331.460 1.176 20 0 EDADLP CN(C(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000188292405 442734855 /nfs/dbraw/zinc/73/48/55/442734855.db2.gz JXJKKKMGWSMOEZ-IBGZPJMESA-N 2 2 331.460 1.176 20 0 EDADLP CN(C(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000188292405 442734858 /nfs/dbraw/zinc/73/48/58/442734858.db2.gz JXJKKKMGWSMOEZ-IBGZPJMESA-N 2 2 331.460 1.176 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000182102709 442736211 /nfs/dbraw/zinc/73/62/11/442736211.db2.gz GYCDEAPJRMGNBB-ZWKOTPCHSA-N 2 2 332.492 1.951 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000182102709 442736214 /nfs/dbraw/zinc/73/62/14/442736214.db2.gz GYCDEAPJRMGNBB-ZWKOTPCHSA-N 2 2 332.492 1.951 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246490074 442786256 /nfs/dbraw/zinc/78/62/56/442786256.db2.gz HBWJBTDQSUFIGD-GOEBONIOSA-N 2 2 336.480 1.561 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246490074 442786259 /nfs/dbraw/zinc/78/62/59/442786259.db2.gz HBWJBTDQSUFIGD-GOEBONIOSA-N 2 2 336.480 1.561 20 0 EDADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246490074 442786263 /nfs/dbraw/zinc/78/62/63/442786263.db2.gz HBWJBTDQSUFIGD-GOEBONIOSA-N 2 2 336.480 1.561 20 0 EDADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246490074 442786267 /nfs/dbraw/zinc/78/62/67/442786267.db2.gz HBWJBTDQSUFIGD-GOEBONIOSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000193812818 442791482 /nfs/dbraw/zinc/79/14/82/442791482.db2.gz FVMIUAZILTZJGL-KRWDZBQOSA-N 2 2 344.503 1.750 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000265510204 442802540 /nfs/dbraw/zinc/80/25/40/442802540.db2.gz FVFNCGZUEHHCJM-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000265510204 442802546 /nfs/dbraw/zinc/80/25/46/442802546.db2.gz FVFNCGZUEHHCJM-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C ZINC000193601011 442757934 /nfs/dbraw/zinc/75/79/34/442757934.db2.gz JFAHCTIZNMOAJM-GASCZTMLSA-N 2 2 330.432 1.445 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C ZINC000193601011 442757936 /nfs/dbraw/zinc/75/79/36/442757936.db2.gz JFAHCTIZNMOAJM-GASCZTMLSA-N 2 2 330.432 1.445 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000193601011 442757937 /nfs/dbraw/zinc/75/79/37/442757937.db2.gz JFAHCTIZNMOAJM-GASCZTMLSA-N 2 2 330.432 1.445 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C ZINC000193601011 442757939 /nfs/dbraw/zinc/75/79/39/442757939.db2.gz JFAHCTIZNMOAJM-GASCZTMLSA-N 2 2 330.432 1.445 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000193617414 442759715 /nfs/dbraw/zinc/75/97/15/442759715.db2.gz PUXNXEYJYWSGKG-RKVPGOIHSA-N 2 2 348.466 1.593 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000265437392 442772544 /nfs/dbraw/zinc/77/25/44/442772544.db2.gz XPTRZGYTRJMVLU-GOSISDBHSA-N 2 2 346.519 1.651 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000265437392 442772546 /nfs/dbraw/zinc/77/25/46/442772546.db2.gz XPTRZGYTRJMVLU-GOSISDBHSA-N 2 2 346.519 1.651 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000188894077 442837338 /nfs/dbraw/zinc/83/73/38/442837338.db2.gz PCVVQXHAEFCJLN-UHFFFAOYSA-N 2 2 342.443 1.706 20 0 EDADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000247339475 442848510 /nfs/dbraw/zinc/84/85/10/442848510.db2.gz NLFZWFUGDCTINA-LSDHHAIUSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000247339475 442848517 /nfs/dbraw/zinc/84/85/17/442848517.db2.gz NLFZWFUGDCTINA-LSDHHAIUSA-N 2 2 326.485 1.125 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000247708365 442866364 /nfs/dbraw/zinc/86/63/64/442866364.db2.gz ZNXIVFBUWJZUGP-KSZLIROESA-N 2 2 337.508 1.963 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000247708365 442866367 /nfs/dbraw/zinc/86/63/67/442866367.db2.gz ZNXIVFBUWJZUGP-KSZLIROESA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000247708365 442866369 /nfs/dbraw/zinc/86/63/69/442866369.db2.gz ZNXIVFBUWJZUGP-KSZLIROESA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000247708365 442866370 /nfs/dbraw/zinc/86/63/70/442866370.db2.gz ZNXIVFBUWJZUGP-KSZLIROESA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)C[C@H]1COCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179294298 318456160 /nfs/dbraw/zinc/45/61/60/318456160.db2.gz YQIWJTYCPDZQPJ-KRWDZBQOSA-N 2 2 340.512 1.469 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@H]1C ZINC000265738452 442901649 /nfs/dbraw/zinc/90/16/49/442901649.db2.gz VAEHPEVTNNEOFY-CQSZACIVSA-N 2 2 331.420 1.827 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@H]1C ZINC000265738452 442901652 /nfs/dbraw/zinc/90/16/52/442901652.db2.gz VAEHPEVTNNEOFY-CQSZACIVSA-N 2 2 331.420 1.827 20 0 EDADLP C[C@H]1COCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000194495320 442906905 /nfs/dbraw/zinc/90/69/05/442906905.db2.gz ARMPBNSICXYZNQ-DLBZAZTESA-N 2 2 337.508 1.726 20 0 EDADLP C[C@H](CC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000194564362 442915567 /nfs/dbraw/zinc/91/55/67/442915567.db2.gz LVESYFUUFGAQAR-IEBWSBKVSA-N 2 2 345.487 1.703 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000189315785 442919535 /nfs/dbraw/zinc/91/95/35/442919535.db2.gz YUPXYOJSLVDYPT-KSYCFECVSA-N 2 2 339.386 1.203 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000189315785 442919540 /nfs/dbraw/zinc/91/95/40/442919540.db2.gz YUPXYOJSLVDYPT-KSYCFECVSA-N 2 2 339.386 1.203 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000252443008 443023312 /nfs/dbraw/zinc/02/33/12/443023312.db2.gz KQYYYILQHZVRKA-DLBZAZTESA-N 2 2 345.491 1.145 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000268801636 443113008 /nfs/dbraw/zinc/11/30/08/443113008.db2.gz JLYWPIYPBVOCKQ-AZUAARDMSA-N 4 2 345.535 1.914 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000299103523 318878518 /nfs/dbraw/zinc/87/85/18/318878518.db2.gz LQMNJOHBYNBHIN-UHFFFAOYSA-N 2 2 342.447 1.811 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000299496521 318908686 /nfs/dbraw/zinc/90/86/86/318908686.db2.gz IPNWVUCPZKTIDQ-CYBMUJFWSA-N 2 2 326.404 1.975 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000245408597 443223022 /nfs/dbraw/zinc/22/30/22/443223022.db2.gz HZUXNQKIZXTCAR-JKSUJKDBSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000245408597 443223028 /nfs/dbraw/zinc/22/30/28/443223028.db2.gz HZUXNQKIZXTCAR-JKSUJKDBSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000245408597 443223032 /nfs/dbraw/zinc/22/30/32/443223032.db2.gz HZUXNQKIZXTCAR-JKSUJKDBSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000245408597 443223036 /nfs/dbraw/zinc/22/30/36/443223036.db2.gz HZUXNQKIZXTCAR-JKSUJKDBSA-N 2 2 339.480 1.062 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCS1 ZINC000269212042 443234748 /nfs/dbraw/zinc/23/47/48/443234748.db2.gz CYPXBWFMWRHZPU-PBHICJAKSA-N 2 2 344.484 1.765 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000332780113 318954884 /nfs/dbraw/zinc/95/48/84/318954884.db2.gz UKVLCXFBGWWOIN-ZTFGCOKTSA-N 2 2 346.475 1.330 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000185460136 443202815 /nfs/dbraw/zinc/20/28/15/443202815.db2.gz VXFLFWREJWCAHZ-DOTOQJQBSA-N 2 2 339.505 1.120 20 0 EDADLP C[C@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000262680810 443208183 /nfs/dbraw/zinc/20/81/83/443208183.db2.gz XAOSJEUYMCYGKG-NVXWUHKLSA-N 2 2 346.475 1.560 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000360059855 319116639 /nfs/dbraw/zinc/11/66/39/319116639.db2.gz QRJNHAGLHMFEJA-IRXDYDNUSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000360059855 319116642 /nfs/dbraw/zinc/11/66/42/319116642.db2.gz QRJNHAGLHMFEJA-IRXDYDNUSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411228047 319172364 /nfs/dbraw/zinc/17/23/64/319172364.db2.gz QGBILANAXXSPSB-KBPBESRZSA-N 2 2 343.431 1.652 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ccc(CC[NH+]3CCOCC3)cc2)n1C ZINC000414316039 319324267 /nfs/dbraw/zinc/32/42/67/319324267.db2.gz NHXSSEPZGMTCKV-UHFFFAOYSA-N 2 2 343.475 1.973 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000415087091 319346221 /nfs/dbraw/zinc/34/62/21/319346221.db2.gz TWDJHKYVRYDGER-RKVPGOIHSA-N 2 2 331.460 1.778 20 0 EDADLP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000415793450 319370771 /nfs/dbraw/zinc/37/07/71/319370771.db2.gz UVICFTJTPPUCQT-QWHCGFSZSA-N 2 2 342.399 1.973 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000264382219 443271046 /nfs/dbraw/zinc/27/10/46/443271046.db2.gz POUNOXUNIZJWKQ-QGZVFWFLSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000264382219 443271053 /nfs/dbraw/zinc/27/10/53/443271053.db2.gz POUNOXUNIZJWKQ-QGZVFWFLSA-N 2 2 347.503 1.812 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000415936820 319383723 /nfs/dbraw/zinc/38/37/23/319383723.db2.gz MNNBKBQDOIYGCR-UHFFFAOYSA-N 2 2 343.431 1.921 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000246158404 443274271 /nfs/dbraw/zinc/27/42/71/443274271.db2.gz CYQCBKVWIIPBCN-TZMCWYRMSA-N 2 2 332.448 1.874 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000246158404 443274276 /nfs/dbraw/zinc/27/42/76/443274276.db2.gz CYQCBKVWIIPBCN-TZMCWYRMSA-N 2 2 332.448 1.874 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cn4ccccc4[nH+]3)C2)CC1 ZINC000264411226 443281652 /nfs/dbraw/zinc/28/16/52/443281652.db2.gz HVOCLGNIESJJQA-KRWDZBQOSA-N 2 2 341.459 1.115 20 0 EDADLP CC(C)(C)n1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nn1 ZINC000191358059 443283814 /nfs/dbraw/zinc/28/38/14/443283814.db2.gz HYNUZEMQPNICIG-DLBZAZTESA-N 2 2 335.496 1.891 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282373769 443319821 /nfs/dbraw/zinc/31/98/21/443319821.db2.gz WRCFSTQFWGPVEX-OALUTQOASA-N 2 2 348.487 1.779 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282373769 443319826 /nfs/dbraw/zinc/31/98/26/443319826.db2.gz WRCFSTQFWGPVEX-OALUTQOASA-N 2 2 348.487 1.779 20 0 EDADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)C1 ZINC000272452213 443323758 /nfs/dbraw/zinc/32/37/58/443323758.db2.gz CKINEFVYCJSUNN-DGCLKSJQSA-N 2 2 339.461 1.331 20 0 EDADLP CN(C)C(=O)c1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000267242131 443390312 /nfs/dbraw/zinc/39/03/12/443390312.db2.gz KTSGGENAWGWSJI-UHFFFAOYSA-N 2 2 346.475 1.144 20 0 EDADLP CN(C)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000267123980 443349629 /nfs/dbraw/zinc/34/96/29/443349629.db2.gz BBOLIPWMVGKYAA-KRWDZBQOSA-N 2 2 340.427 1.987 20 0 EDADLP CN(C)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000267123980 443349635 /nfs/dbraw/zinc/34/96/35/443349635.db2.gz BBOLIPWMVGKYAA-KRWDZBQOSA-N 2 2 340.427 1.987 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000264768306 443415208 /nfs/dbraw/zinc/41/52/08/443415208.db2.gz OQYBEDOHBGVRCU-UHFFFAOYSA-N 2 2 335.448 1.426 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(=O)[nH]1 ZINC000267345538 443426161 /nfs/dbraw/zinc/42/61/61/443426161.db2.gz QPHIVXKEQIDGLB-UHFFFAOYSA-N 2 2 349.479 1.229 20 0 EDADLP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267390281 443440781 /nfs/dbraw/zinc/44/07/81/443440781.db2.gz NGEAIQGLTQVONA-OAHLLOKOSA-N 2 2 349.460 1.171 20 0 EDADLP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267390281 443440785 /nfs/dbraw/zinc/44/07/85/443440785.db2.gz NGEAIQGLTQVONA-OAHLLOKOSA-N 2 2 349.460 1.171 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000282656133 443400447 /nfs/dbraw/zinc/40/04/47/443400447.db2.gz PNUGAXRUYLERRP-MRXNPFEDSA-N 2 2 331.464 1.788 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000278707357 443408292 /nfs/dbraw/zinc/40/82/92/443408292.db2.gz RVFDFIZWERWUEK-UHFFFAOYSA-N 2 2 328.416 1.409 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CCCCC[C@H]3[NH3+])C2)nc1 ZINC000423038672 319748618 /nfs/dbraw/zinc/74/86/18/319748618.db2.gz YYXJNJAOVDHNFR-CVEARBPZSA-N 2 2 332.448 1.697 20 0 EDADLP CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000423195756 319755574 /nfs/dbraw/zinc/75/55/74/319755574.db2.gz YGTGEWKBOZYOOP-LEUOFYLZSA-N 2 2 334.464 1.337 20 0 EDADLP COc1cccc([C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)c1 ZINC000283039735 443504479 /nfs/dbraw/zinc/50/44/79/443504479.db2.gz IGFSATCHSSRNDI-GOSISDBHSA-N 2 2 347.459 1.233 20 0 EDADLP COc1cccc([C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)c1 ZINC000283039735 443504484 /nfs/dbraw/zinc/50/44/84/443504484.db2.gz IGFSATCHSSRNDI-GOSISDBHSA-N 2 2 347.459 1.233 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC000279073679 443509338 /nfs/dbraw/zinc/50/93/38/443509338.db2.gz FLGYPUDRXSUGRX-CYBMUJFWSA-N 2 2 325.478 1.602 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1C ZINC000267636770 443522186 /nfs/dbraw/zinc/52/21/86/443522186.db2.gz RXXCTACLWYOWOK-MRXNPFEDSA-N 2 2 344.463 1.588 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[C@H]3CCC[NH2+]CC3)CCCC2)no1 ZINC000427306424 319896260 /nfs/dbraw/zinc/89/62/60/319896260.db2.gz CFJLJNGZBDJFAS-AWEZNQCLSA-N 2 2 349.479 1.797 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000274253588 443600994 /nfs/dbraw/zinc/60/09/94/443600994.db2.gz ZJRYFAMERHCBMX-HKUYNNGSSA-N 2 2 332.444 1.652 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272356104 443602025 /nfs/dbraw/zinc/60/20/25/443602025.db2.gz RLRHAJYYQSMHJB-PBHICJAKSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272356104 443602028 /nfs/dbraw/zinc/60/20/28/443602028.db2.gz RLRHAJYYQSMHJB-PBHICJAKSA-N 2 2 325.416 1.824 20 0 EDADLP Cc1nc2[nH]ccc2c(NC2CC[NH+](CCC(=O)N(C)C)CC2)[nH+]1 ZINC000433784319 319986755 /nfs/dbraw/zinc/98/67/55/319986755.db2.gz CIKZZKLGSLJGJK-UHFFFAOYSA-N 2 2 330.436 1.621 20 0 EDADLP CN(C)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000444262104 320123133 /nfs/dbraw/zinc/12/31/33/320123133.db2.gz IUWBKFBFIUVLAT-UHFFFAOYSA-N 2 2 333.480 1.246 20 0 EDADLP CN(C)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000444262104 320123135 /nfs/dbraw/zinc/12/31/35/320123135.db2.gz IUWBKFBFIUVLAT-UHFFFAOYSA-N 2 2 333.480 1.246 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)[nH]c1C ZINC000449057298 320176678 /nfs/dbraw/zinc/17/66/78/320176678.db2.gz BTSPQDGUNVGTRW-MRXNPFEDSA-N 2 2 337.464 1.946 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)[nH]c1C ZINC000449057298 320176679 /nfs/dbraw/zinc/17/66/79/320176679.db2.gz BTSPQDGUNVGTRW-MRXNPFEDSA-N 2 2 337.464 1.946 20 0 EDADLP CCOC(=O)[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12COC2 ZINC000449362743 320184331 /nfs/dbraw/zinc/18/43/31/320184331.db2.gz KPWLPEUUJQPAHC-HNNXBMFYSA-N 2 2 347.440 1.945 20 0 EDADLP CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12COC2 ZINC000449362743 320184333 /nfs/dbraw/zinc/18/43/33/320184333.db2.gz KPWLPEUUJQPAHC-HNNXBMFYSA-N 2 2 347.440 1.945 20 0 EDADLP CN(C(=O)NCCOCC[NH+](C)C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000458695603 320338531 /nfs/dbraw/zinc/33/85/31/320338531.db2.gz OKGIWTCRYYZWCE-MRXNPFEDSA-N 2 2 345.447 1.719 20 0 EDADLP c1c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)nc2ncccn12 ZINC000459381264 320347788 /nfs/dbraw/zinc/34/77/88/320347788.db2.gz RGAQGGQYFSQGTH-UHFFFAOYSA-N 2 2 337.427 1.851 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2c[nH]c3nccnc23)CCC[N@@H+]1C ZINC000290997478 443729683 /nfs/dbraw/zinc/72/96/83/443729683.db2.gz AQCICZVZDDVIRN-SUMWQHHRSA-N 2 2 339.447 1.864 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2c[nH]c3nccnc23)CCC[N@H+]1C ZINC000290997478 443729685 /nfs/dbraw/zinc/72/96/85/443729685.db2.gz AQCICZVZDDVIRN-SUMWQHHRSA-N 2 2 339.447 1.864 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H](O)C2)([NH+]2CCCCC2)CC1 ZINC000525887961 320493925 /nfs/dbraw/zinc/49/39/25/320493925.db2.gz DXUBIKSLTNEFDM-IAGOWNOFSA-N 2 2 337.508 1.604 20 0 EDADLP CC[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)[NH+](C)C ZINC000298515094 443788911 /nfs/dbraw/zinc/78/89/11/443788911.db2.gz BKWWEJIXDPDBCD-ZWKOTPCHSA-N 2 2 333.476 1.386 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)C2)C1 ZINC000298549776 443797204 /nfs/dbraw/zinc/79/72/04/443797204.db2.gz CDYACIWCYNUYSG-KSSFIOAISA-N 2 2 345.447 1.018 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)C2)C1 ZINC000298549776 443797205 /nfs/dbraw/zinc/79/72/05/443797205.db2.gz CDYACIWCYNUYSG-KSSFIOAISA-N 2 2 345.447 1.018 20 0 EDADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC[C@H]1COCC[NH2+]1 ZINC000529323707 320573737 /nfs/dbraw/zinc/57/37/37/320573737.db2.gz DSKOUNKMFDUPEA-LBPRGKRZSA-N 2 2 349.822 1.313 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000298628957 443822444 /nfs/dbraw/zinc/82/24/44/443822444.db2.gz JRKARFPUGVGYQC-CABCVRRESA-N 2 2 347.463 1.406 20 0 EDADLP Cc1c(Cl)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nn1C ZINC000530249298 320618044 /nfs/dbraw/zinc/61/80/44/320618044.db2.gz UVHKKJMRIHQZOU-AWEZNQCLSA-N 2 2 326.872 1.972 20 0 EDADLP CN(C)[C@H](C(=O)N1CC([N@H+](C)Cc2ccccc2)C1)c1c[nH+]cn1C ZINC000288209645 443806555 /nfs/dbraw/zinc/80/65/55/443806555.db2.gz DBMCLBKCHNRPCV-SFHVURJKSA-N 2 2 341.459 1.366 20 0 EDADLP CN(C)[C@H](C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)c1c[nH+]cn1C ZINC000288209645 443806559 /nfs/dbraw/zinc/80/65/59/443806559.db2.gz DBMCLBKCHNRPCV-SFHVURJKSA-N 2 2 341.459 1.366 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000298589162 443809050 /nfs/dbraw/zinc/80/90/50/443809050.db2.gz GQPXUIQYLMKHBP-CQSZACIVSA-N 2 2 347.463 1.058 20 0 EDADLP Cc1cc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)n(C2CC[NH+](C)CC2)n1 ZINC000531426357 320659693 /nfs/dbraw/zinc/65/96/93/320659693.db2.gz SVFPYBJTTZNDBF-AWEZNQCLSA-N 2 2 345.451 1.865 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000281371273 443893183 /nfs/dbraw/zinc/89/31/83/443893183.db2.gz DSJVCNCPRFZDDX-CQSZACIVSA-N 2 2 341.415 1.759 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000281371273 443893186 /nfs/dbraw/zinc/89/31/86/443893186.db2.gz DSJVCNCPRFZDDX-CQSZACIVSA-N 2 2 341.415 1.759 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281319222 443878426 /nfs/dbraw/zinc/87/84/26/443878426.db2.gz LBUHMHSSOHGXKX-CQSZACIVSA-N 2 2 332.448 1.530 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281319222 443878430 /nfs/dbraw/zinc/87/84/30/443878430.db2.gz LBUHMHSSOHGXKX-CQSZACIVSA-N 2 2 332.448 1.530 20 0 EDADLP COc1ccccc1OCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000299089186 443951596 /nfs/dbraw/zinc/95/15/96/443951596.db2.gz NASAMBRIUOVISB-UHFFFAOYSA-N 2 2 349.475 1.558 20 0 EDADLP COc1ccccc1OCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000299089186 443951600 /nfs/dbraw/zinc/95/16/00/443951600.db2.gz NASAMBRIUOVISB-UHFFFAOYSA-N 2 2 349.475 1.558 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)CCC[NH+]3CCCC3)ccc2[nH+]1 ZINC000281427467 443908990 /nfs/dbraw/zinc/90/89/90/443908990.db2.gz KULPGRUJGDGIMW-UHFFFAOYSA-N 2 2 343.431 1.526 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000277099093 443911480 /nfs/dbraw/zinc/91/14/80/443911480.db2.gz GJWROMQEMXZXLH-SFHVURJKSA-N 2 2 344.503 1.581 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000277099093 443911484 /nfs/dbraw/zinc/91/14/84/443911484.db2.gz GJWROMQEMXZXLH-SFHVURJKSA-N 2 2 344.503 1.581 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000543096013 320788199 /nfs/dbraw/zinc/78/81/99/320788199.db2.gz VALBDHYAAYSQEY-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000299173645 443974797 /nfs/dbraw/zinc/97/47/97/443974797.db2.gz ZDRUXBRKUARUTI-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000299173645 443974798 /nfs/dbraw/zinc/97/47/98/443974798.db2.gz ZDRUXBRKUARUTI-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000288810311 443988813 /nfs/dbraw/zinc/98/88/13/443988813.db2.gz SOITUCPNXMBVIK-NXHRZFHOSA-N 2 2 331.460 1.252 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548656323 320890368 /nfs/dbraw/zinc/89/03/68/320890368.db2.gz RIECLWRRQSJCII-OAHLLOKOSA-N 2 2 342.447 1.366 20 0 EDADLP C[C@@H](O)c1ncc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000293544655 444049227 /nfs/dbraw/zinc/04/92/27/444049227.db2.gz DGADMZMKHDZRNB-CZUORRHYSA-N 2 2 347.484 1.705 20 0 EDADLP C[C@@H](O)c1ncc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000293544655 444049230 /nfs/dbraw/zinc/04/92/30/444049230.db2.gz DGADMZMKHDZRNB-CZUORRHYSA-N 2 2 347.484 1.705 20 0 EDADLP COC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000293645016 444079184 /nfs/dbraw/zinc/07/91/84/444079184.db2.gz RXOORYMXRUCBLG-QGZVFWFLSA-N 2 2 333.432 1.178 20 0 EDADLP COC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000293645016 444079192 /nfs/dbraw/zinc/07/91/92/444079192.db2.gz RXOORYMXRUCBLG-QGZVFWFLSA-N 2 2 333.432 1.178 20 0 EDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000560870735 321029307 /nfs/dbraw/zinc/02/93/07/321029307.db2.gz NLVFYJIYFHHWNB-PMACEKPBSA-N 2 2 346.519 1.021 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000561178453 321035343 /nfs/dbraw/zinc/03/53/43/321035343.db2.gz GIUOXGGYFCJTTA-KZNAEPCWSA-N 2 2 330.476 1.682 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000561178453 321035345 /nfs/dbraw/zinc/03/53/45/321035345.db2.gz GIUOXGGYFCJTTA-KZNAEPCWSA-N 2 2 330.476 1.682 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]C1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000563545655 321111256 /nfs/dbraw/zinc/11/12/56/321111256.db2.gz OCABIEVYZHJDSQ-OAHLLOKOSA-N 2 2 331.464 1.871 20 0 EDADLP COC(=O)[C@@H](C)[NH+](C)Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)OC ZINC000564822359 321150023 /nfs/dbraw/zinc/15/00/23/321150023.db2.gz UUINHPITKNQLOS-ZIAGYGMSSA-N 2 2 336.432 1.673 20 0 EDADLP COC(=O)[C@@H](C)[NH+](C)Cc1ccccc1C[N@H+](C)[C@H](C)C(=O)OC ZINC000564822359 321150024 /nfs/dbraw/zinc/15/00/24/321150024.db2.gz UUINHPITKNQLOS-ZIAGYGMSSA-N 2 2 336.432 1.673 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C[NH+]3CC(C)(C)C3)nc2)C1 ZINC000565183777 321174642 /nfs/dbraw/zinc/17/46/42/321174642.db2.gz SCXKEMCIQIZJKB-OAHLLOKOSA-N 2 2 331.464 1.502 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)cn2)CC1 ZINC000565367426 321184218 /nfs/dbraw/zinc/18/42/18/321184218.db2.gz MCADOXFVSVQBKO-CQSZACIVSA-N 2 2 340.431 1.231 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc(C(C)C)[nH+]1 ZINC000299594528 444089526 /nfs/dbraw/zinc/08/95/26/444089526.db2.gz WRCVZARUKBIRAO-HNNXBMFYSA-N 2 2 331.464 1.651 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc(C(C)C)[nH+]1 ZINC000299594528 444089529 /nfs/dbraw/zinc/08/95/29/444089529.db2.gz WRCVZARUKBIRAO-HNNXBMFYSA-N 2 2 331.464 1.651 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565550905 321191743 /nfs/dbraw/zinc/19/17/43/321191743.db2.gz WEYIUUDWEANSIN-UHFFFAOYSA-N 2 2 330.436 1.250 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOC2CCCCCC2)C[C@@H](C)O1 ZINC000565655640 321195450 /nfs/dbraw/zinc/19/54/50/321195450.db2.gz VZHAQBFKSVCCQL-BRWVUGGUSA-N 2 2 328.497 1.786 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000567480569 321243895 /nfs/dbraw/zinc/24/38/95/321243895.db2.gz YLOXJULXQWOLIA-ZBFHGGJFSA-N 2 2 338.496 1.127 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000567480569 321243897 /nfs/dbraw/zinc/24/38/97/321243897.db2.gz YLOXJULXQWOLIA-ZBFHGGJFSA-N 2 2 338.496 1.127 20 0 EDADLP Clc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc2c1OCCO2 ZINC000567642357 321250294 /nfs/dbraw/zinc/25/02/94/321250294.db2.gz OTLPEPCZNWOMAK-CVEARBPZSA-N 2 2 338.835 1.968 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000567839868 321261216 /nfs/dbraw/zinc/26/12/16/321261216.db2.gz UFUBFJPGOQSKQW-MRXNPFEDSA-N 2 2 333.480 1.233 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000567893100 321266409 /nfs/dbraw/zinc/26/64/09/321266409.db2.gz YGLGKBSHERMVSP-AWEZNQCLSA-N 2 2 330.432 1.423 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000567893100 321266410 /nfs/dbraw/zinc/26/64/10/321266410.db2.gz YGLGKBSHERMVSP-AWEZNQCLSA-N 2 2 330.432 1.423 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1Cc1ccccc1 ZINC000567976621 321270202 /nfs/dbraw/zinc/27/02/02/321270202.db2.gz PWNXDHMVXMZILT-PKOBYXMFSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1Cc1ccccc1 ZINC000567976621 321270203 /nfs/dbraw/zinc/27/02/03/321270203.db2.gz PWNXDHMVXMZILT-PKOBYXMFSA-N 2 2 338.455 1.831 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)CCN2C1=O ZINC000568266107 321285484 /nfs/dbraw/zinc/28/54/84/321285484.db2.gz JYEKDWSCLKEQKB-GOEBONIOSA-N 2 2 338.411 1.022 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)CCN2C1=O ZINC000568266107 321285485 /nfs/dbraw/zinc/28/54/85/321285485.db2.gz JYEKDWSCLKEQKB-GOEBONIOSA-N 2 2 338.411 1.022 20 0 EDADLP C[C@@H]1CN(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)C[C@@]1(C)C[NH3+] ZINC000568610105 321299017 /nfs/dbraw/zinc/29/90/17/321299017.db2.gz UDMIZKACAQMCEW-UWWQBHOKSA-N 2 2 338.496 1.066 20 0 EDADLP C[C@@H]1CN(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)C[C@@]1(C)C[NH3+] ZINC000568610105 321299019 /nfs/dbraw/zinc/29/90/19/321299019.db2.gz UDMIZKACAQMCEW-UWWQBHOKSA-N 2 2 338.496 1.066 20 0 EDADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)c1C ZINC000570769078 321356288 /nfs/dbraw/zinc/35/62/88/321356288.db2.gz FBLIQLOTVCTQJC-SFHVURJKSA-N 2 2 339.443 1.818 20 0 EDADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)c1C ZINC000570769078 321356290 /nfs/dbraw/zinc/35/62/90/321356290.db2.gz FBLIQLOTVCTQJC-SFHVURJKSA-N 2 2 339.443 1.818 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000570959506 321367152 /nfs/dbraw/zinc/36/71/52/321367152.db2.gz FQBYZAMZGNDYPI-ZACQAIPSSA-N 2 2 344.459 1.230 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000570959506 321367154 /nfs/dbraw/zinc/36/71/54/321367154.db2.gz FQBYZAMZGNDYPI-ZACQAIPSSA-N 2 2 344.459 1.230 20 0 EDADLP Cc1cccc([C@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]2CCOCC2)c1 ZINC000572011053 321410579 /nfs/dbraw/zinc/41/05/79/321410579.db2.gz ZGIZSPMVPPWTFO-HNNXBMFYSA-N 2 2 341.402 1.469 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000572348739 321427030 /nfs/dbraw/zinc/42/70/30/321427030.db2.gz AQWYBBJAOWNVAZ-PSTGCABASA-N 2 2 339.867 1.941 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000573463138 321455609 /nfs/dbraw/zinc/45/56/09/321455609.db2.gz FFFIWFIEOIUCCP-LJQANCHMSA-N 2 2 339.443 1.826 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1)C1CC1 ZINC000289490531 444157598 /nfs/dbraw/zinc/15/75/98/444157598.db2.gz JIMDSUITDUKQDT-CABCVRRESA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1)C1CC1 ZINC000289490531 444157601 /nfs/dbraw/zinc/15/76/01/444157601.db2.gz JIMDSUITDUKQDT-CABCVRRESA-N 2 2 343.265 1.527 20 0 EDADLP Cn1nncc1C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000289510639 444161585 /nfs/dbraw/zinc/16/15/85/444161585.db2.gz ORWGAMNLPDGIOD-UHFFFAOYSA-N 2 2 328.464 1.065 20 0 EDADLP Cn1nncc1C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000289510639 444161589 /nfs/dbraw/zinc/16/15/89/444161589.db2.gz ORWGAMNLPDGIOD-UHFFFAOYSA-N 2 2 328.464 1.065 20 0 EDADLP CCS(=O)(=O)NC1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000289535500 444167056 /nfs/dbraw/zinc/16/70/56/444167056.db2.gz WHYRLARKWYHMAK-UHFFFAOYSA-N 2 2 325.478 1.726 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289373089 444122008 /nfs/dbraw/zinc/12/20/08/444122008.db2.gz KKYVPOVQCJIACY-BBRMVZONSA-N 2 2 340.489 1.586 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289373089 444122012 /nfs/dbraw/zinc/12/20/12/444122012.db2.gz KKYVPOVQCJIACY-BBRMVZONSA-N 2 2 340.489 1.586 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302517561 444215346 /nfs/dbraw/zinc/21/53/46/444215346.db2.gz YGFIMHASEDDKDU-HNNXBMFYSA-N 2 2 346.479 1.287 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302517561 444215349 /nfs/dbraw/zinc/21/53/49/444215349.db2.gz YGFIMHASEDDKDU-HNNXBMFYSA-N 2 2 346.479 1.287 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)nn1 ZINC000289888890 444215663 /nfs/dbraw/zinc/21/56/63/444215663.db2.gz XRJNBVWSUAWHFM-UHFFFAOYSA-N 2 2 329.452 1.296 20 0 EDADLP OC[C@H]1CCCN(c2cc(NCC[NH+]3CCCCCC3)nc[nH+]2)C1 ZINC000301509633 444175890 /nfs/dbraw/zinc/17/58/90/444175890.db2.gz IATOPBSKYRKXCR-INIZCTEOSA-N 2 2 333.480 1.973 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000301584609 444180940 /nfs/dbraw/zinc/18/09/40/444180940.db2.gz OMJUTGCTRCVUCY-NWDGAFQWSA-N 2 2 332.408 1.284 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000302740401 444222126 /nfs/dbraw/zinc/22/21/26/444222126.db2.gz QHRSZPVMDCALES-BRWVUGGUSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000302740401 444222127 /nfs/dbraw/zinc/22/21/27/444222127.db2.gz QHRSZPVMDCALES-BRWVUGGUSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000302740401 444222129 /nfs/dbraw/zinc/22/21/29/444222129.db2.gz QHRSZPVMDCALES-BRWVUGGUSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000302740401 444222131 /nfs/dbraw/zinc/22/21/31/444222131.db2.gz QHRSZPVMDCALES-BRWVUGGUSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCN(C(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000289731682 444196273 /nfs/dbraw/zinc/19/62/73/444196273.db2.gz HODOZJBBDPIZBJ-GOSISDBHSA-N 2 2 349.450 1.429 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCN(C(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000289731682 444196276 /nfs/dbraw/zinc/19/62/76/444196276.db2.gz HODOZJBBDPIZBJ-GOSISDBHSA-N 2 2 349.450 1.429 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000289731682 444196278 /nfs/dbraw/zinc/19/62/78/444196278.db2.gz HODOZJBBDPIZBJ-GOSISDBHSA-N 2 2 349.450 1.429 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000289731682 444196281 /nfs/dbraw/zinc/19/62/81/444196281.db2.gz HODOZJBBDPIZBJ-GOSISDBHSA-N 2 2 349.450 1.429 20 0 EDADLP c1cn(-c2ccnc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)c2)c[nH+]1 ZINC000289795611 444204855 /nfs/dbraw/zinc/20/48/55/444204855.db2.gz QYLADMGWEBZBII-ZFWWWQNUSA-N 2 2 338.371 1.853 20 0 EDADLP c1cn(-c2ccnc(-c3nc([C@@H]4C[N@H+]5CCC[C@H]5CO4)no3)c2)c[nH+]1 ZINC000289795611 444204858 /nfs/dbraw/zinc/20/48/58/444204858.db2.gz QYLADMGWEBZBII-ZFWWWQNUSA-N 2 2 338.371 1.853 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302822409 444225196 /nfs/dbraw/zinc/22/51/96/444225196.db2.gz FBGFKQPXJIINCV-GVDBMIGSSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302822409 444225198 /nfs/dbraw/zinc/22/51/98/444225198.db2.gz FBGFKQPXJIINCV-GVDBMIGSSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302822409 444225199 /nfs/dbraw/zinc/22/51/99/444225199.db2.gz FBGFKQPXJIINCV-GVDBMIGSSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302822409 444225201 /nfs/dbraw/zinc/22/52/01/444225201.db2.gz FBGFKQPXJIINCV-GVDBMIGSSA-N 2 2 345.491 1.748 20 0 EDADLP Cn1ncc2c1nc(N1CCN(c3cc[nH+]cc3Cl)CC1)[nH+]c2N ZINC000302887258 444230042 /nfs/dbraw/zinc/23/00/42/444230042.db2.gz NSNUVCAQPBYFJT-UHFFFAOYSA-N 2 2 344.810 1.321 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)Nc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000290075577 444238774 /nfs/dbraw/zinc/23/87/74/444238774.db2.gz IMZVMHMKINPHKH-HNNXBMFYSA-N 2 2 334.445 1.687 20 0 EDADLP CC[NH2+]CCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000577604264 321666537 /nfs/dbraw/zinc/66/65/37/321666537.db2.gz JPHSVPRJXFXNJN-UHFFFAOYSA-N 2 2 329.448 1.773 20 0 EDADLP C[C@H](C(=O)N(C)CCC[NH+](C)CCN(C)C)[N@H+](C)Cc1ccccc1 ZINC000290759437 444319719 /nfs/dbraw/zinc/31/97/19/444319719.db2.gz ZOABCOACYTVPQJ-GOSISDBHSA-N 2 2 348.535 1.849 20 0 EDADLP C[C@H](C(=O)N(C)CCC[NH+](C)CCN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000290759437 444319722 /nfs/dbraw/zinc/31/97/22/444319722.db2.gz ZOABCOACYTVPQJ-GOSISDBHSA-N 2 2 348.535 1.849 20 0 EDADLP C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)[NH+](C)Cc1ccccc1 ZINC000290759437 444319724 /nfs/dbraw/zinc/31/97/24/444319724.db2.gz ZOABCOACYTVPQJ-GOSISDBHSA-N 2 2 348.535 1.849 20 0 EDADLP C[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[NH+](C)Cc1ccccc1 ZINC000290759437 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/nfs/dbraw/zinc/76/01/14/444760114.db2.gz ORGVNKYRTUPCTQ-UAGQMJEPSA-N 2 2 349.500 1.095 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000344064086 444760119 /nfs/dbraw/zinc/76/01/19/444760119.db2.gz ORGVNKYRTUPCTQ-UAGQMJEPSA-N 2 2 349.500 1.095 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOc3cc(OC)ccc3C2)CC1 ZINC000338634290 444784495 /nfs/dbraw/zinc/78/44/95/444784495.db2.gz WAQYONFUTAKALJ-UHFFFAOYSA-N 2 2 347.459 1.490 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOc3cc(OC)ccc3C2)CC1 ZINC000338634290 444784498 /nfs/dbraw/zinc/78/44/98/444784498.db2.gz WAQYONFUTAKALJ-UHFFFAOYSA-N 2 2 347.459 1.490 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[N@@H+]4CCCC[C@H]4C3)nc[nH+]2)C1 ZINC000334058129 444765395 /nfs/dbraw/zinc/76/53/95/444765395.db2.gz WXKMVJIXUJBFEK-JYJNAYRXSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[N@H+]4CCCC[C@H]4C3)nc[nH+]2)C1 ZINC000334058129 444765398 /nfs/dbraw/zinc/76/53/98/444765398.db2.gz WXKMVJIXUJBFEK-JYJNAYRXSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@H]([NH+]4CCCCC4)C3)nc[nH+]2)C1 ZINC000334058014 444765556 /nfs/dbraw/zinc/76/55/56/444765556.db2.gz WTLVKNHAOJPEIG-ULQDDVLXSA-N 2 2 345.491 1.748 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccncc1F ZINC000338676976 444803553 /nfs/dbraw/zinc/80/35/53/444803553.db2.gz SOBYZQYYWKXTHZ-ZDUSSCGKSA-N 2 2 337.443 1.607 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC[NH2+][C@H]3C)c[nH+]2)CCO1 ZINC000342686279 444813922 /nfs/dbraw/zinc/81/39/22/444813922.db2.gz ABXCWPIFDLXOFW-YCPHGPKFSA-N 2 2 332.448 1.311 20 0 EDADLP CCC[NH+]1CCC([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000336875513 444821905 /nfs/dbraw/zinc/82/19/05/444821905.db2.gz IANLUXARDQSIGT-UHFFFAOYSA-N 2 2 339.505 1.901 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342696662 444820225 /nfs/dbraw/zinc/82/02/25/444820225.db2.gz QNVYACOTRUSVOG-HNNXBMFYSA-N 2 2 348.397 1.835 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336879145 444825371 /nfs/dbraw/zinc/82/53/71/444825371.db2.gz LPDSEFYRZWPWJO-UHFFFAOYSA-N 3 2 329.452 1.260 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000336879145 444825372 /nfs/dbraw/zinc/82/53/72/444825372.db2.gz LPDSEFYRZWPWJO-UHFFFAOYSA-N 2 2 329.452 1.260 20 0 EDADLP CCOc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000341479624 444852682 /nfs/dbraw/zinc/85/26/82/444852682.db2.gz YXTWQLGCNOVHTD-AWEZNQCLSA-N 2 2 335.448 1.519 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)C[C@H](C)O1 ZINC000342762693 444854086 /nfs/dbraw/zinc/85/40/86/444854086.db2.gz ZJBYHDVGBGMMGI-XQQFMLRXSA-N 2 2 333.423 1.235 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)C[C@H](C)O1 ZINC000342762693 444854088 /nfs/dbraw/zinc/85/40/88/444854088.db2.gz ZJBYHDVGBGMMGI-XQQFMLRXSA-N 2 2 333.423 1.235 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C ZINC000342768794 444858212 /nfs/dbraw/zinc/85/82/12/444858212.db2.gz NMBHWLVVZLQSNJ-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C ZINC000342768794 444858218 /nfs/dbraw/zinc/85/82/18/444858218.db2.gz NMBHWLVVZLQSNJ-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1c1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000330157627 444866113 /nfs/dbraw/zinc/86/61/13/444866113.db2.gz ZIZOMNPBQYHECJ-HZPDHXFCSA-N 2 2 342.447 2.241 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CCN2CCOCC2)CC1 ZINC000342799613 444872255 /nfs/dbraw/zinc/87/22/55/444872255.db2.gz XIQHCHULDLOEQM-INIZCTEOSA-N 2 2 341.496 1.104 20 0 EDADLP Cc1nc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000330197961 444883838 /nfs/dbraw/zinc/88/38/38/444883838.db2.gz SNXPLYVYEOVHIB-MRXNPFEDSA-N 2 2 326.448 2.323 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCn2c[nH+]cc2C1 ZINC000330211018 444890248 /nfs/dbraw/zinc/89/02/48/444890248.db2.gz CTCKWPOIKFCZAS-UHFFFAOYSA-N 2 2 325.376 1.075 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337074253 444930288 /nfs/dbraw/zinc/93/02/88/444930288.db2.gz PJQSLGIOHVTXLU-QZTJIDSGSA-N 2 2 333.476 1.594 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337074253 444930290 /nfs/dbraw/zinc/93/02/90/444930290.db2.gz PJQSLGIOHVTXLU-QZTJIDSGSA-N 2 2 333.476 1.594 20 0 EDADLP O=C(CC[NH+]1CCC([NH+]2CCOCC2)CC1)N1CCc2ccccc21 ZINC000625545270 450419851 /nfs/dbraw/zinc/41/98/51/450419851.db2.gz RREIZLZQQUYIIE-UHFFFAOYSA-N 2 2 343.471 1.762 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000344458595 444987916 /nfs/dbraw/zinc/98/79/16/444987916.db2.gz KRCKNMDXUHEKFR-SFHVURJKSA-N 2 2 336.524 1.491 20 0 EDADLP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000344458595 444987921 /nfs/dbraw/zinc/98/79/21/444987921.db2.gz KRCKNMDXUHEKFR-SFHVURJKSA-N 2 2 336.524 1.491 20 0 EDADLP c1cn([C@@H]2COC[C@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000344460004 444989000 /nfs/dbraw/zinc/98/90/00/444989000.db2.gz BSRKZFUXYOVHIB-RTBURBONSA-N 2 2 341.459 1.515 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC([N@H+](C)CCCO)CC3)ccc2[nH+]1 ZINC000341775177 444995966 /nfs/dbraw/zinc/99/59/66/444995966.db2.gz UCCLAXWVOVRKLH-UHFFFAOYSA-N 2 2 345.447 1.953 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC([N@@H+](C)CCCO)CC3)ccc2[nH+]1 ZINC000341775177 444995969 /nfs/dbraw/zinc/99/59/69/444995969.db2.gz UCCLAXWVOVRKLH-UHFFFAOYSA-N 2 2 345.447 1.953 20 0 EDADLP COc1ccc(C[C@](C)([NH3+])CNc2nc(C)[nH+]c(N(C)C)n2)cc1 ZINC000339040493 445003081 /nfs/dbraw/zinc/00/30/81/445003081.db2.gz PMUOYVJTVUXKDA-KRWDZBQOSA-N 2 2 330.436 1.627 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000337328293 445035061 /nfs/dbraw/zinc/03/50/61/445035061.db2.gz YLMFAVUXHKBDGJ-UHFFFAOYSA-N 2 2 344.503 1.751 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000337328293 445035065 /nfs/dbraw/zinc/03/50/65/445035065.db2.gz YLMFAVUXHKBDGJ-UHFFFAOYSA-N 2 2 344.503 1.751 20 0 EDADLP CC(C)Oc1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000339063440 445014960 /nfs/dbraw/zinc/01/49/60/445014960.db2.gz YMWMYJWGEIKDMV-UHFFFAOYSA-N 2 2 348.491 1.967 20 0 EDADLP CC(C)Oc1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000339063440 445014967 /nfs/dbraw/zinc/01/49/67/445014967.db2.gz YMWMYJWGEIKDMV-UHFFFAOYSA-N 2 2 348.491 1.967 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343079129 445047021 /nfs/dbraw/zinc/04/70/21/445047021.db2.gz OSVXNUXXLQMCJI-AZUAARDMSA-N 3 2 330.520 1.734 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343079129 445047024 /nfs/dbraw/zinc/04/70/24/445047024.db2.gz OSVXNUXXLQMCJI-AZUAARDMSA-N 3 2 330.520 1.734 20 0 EDADLP CCCCNc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)nc(N)[nH+]1 ZINC000343202537 445132026 /nfs/dbraw/zinc/13/20/26/445132026.db2.gz FIDOYWJGYFMEJD-CQSZACIVSA-N 2 2 336.484 1.606 20 0 EDADLP CCCCNc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)nc(N)[nH+]1 ZINC000343202537 445132033 /nfs/dbraw/zinc/13/20/33/445132033.db2.gz FIDOYWJGYFMEJD-CQSZACIVSA-N 2 2 336.484 1.606 20 0 EDADLP CCCCNc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)[nH+]c(N)n1 ZINC000343202537 445132036 /nfs/dbraw/zinc/13/20/36/445132036.db2.gz FIDOYWJGYFMEJD-CQSZACIVSA-N 2 2 336.484 1.606 20 0 EDADLP CCCCNc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)[nH+]c(N)n1 ZINC000343202537 445132041 /nfs/dbraw/zinc/13/20/41/445132041.db2.gz FIDOYWJGYFMEJD-CQSZACIVSA-N 2 2 336.484 1.606 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000344738832 445138177 /nfs/dbraw/zinc/13/81/77/445138177.db2.gz HWYANKMULUSXKY-YOEHRIQHSA-N 2 2 333.480 1.356 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000344738832 445138180 /nfs/dbraw/zinc/13/81/80/445138180.db2.gz HWYANKMULUSXKY-YOEHRIQHSA-N 2 2 333.480 1.356 20 0 EDADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000337480019 445098676 /nfs/dbraw/zinc/09/86/76/445098676.db2.gz QESBAFAULWRSJZ-JYJNAYRXSA-N 2 2 334.464 1.706 20 0 EDADLP COCC[N@H+](C)CCOc1cccc(CNC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000339223999 445098916 /nfs/dbraw/zinc/09/89/16/445098916.db2.gz QUQSRYSLZGODLI-UHFFFAOYSA-N 2 2 346.431 1.605 20 0 EDADLP COCC[N@@H+](C)CCOc1cccc(CNC(=O)c2c[nH+]c(C)[nH]2)c1 ZINC000339223999 445098922 /nfs/dbraw/zinc/09/89/22/445098922.db2.gz QUQSRYSLZGODLI-UHFFFAOYSA-N 2 2 346.431 1.605 20 0 EDADLP CC[C@H](C(=O)NC1CC[NH+](CCOC)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339248177 445113729 /nfs/dbraw/zinc/11/37/29/445113729.db2.gz HSCCHWASFICZHG-DLBZAZTESA-N 2 2 341.496 1.103 20 0 EDADLP CC[C@H](C(=O)NC1CC[NH+](CCOC)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339248177 445113734 /nfs/dbraw/zinc/11/37/34/445113734.db2.gz HSCCHWASFICZHG-DLBZAZTESA-N 2 2 341.496 1.103 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cnn(C2CCCC2)c1 ZINC000337518033 445116249 /nfs/dbraw/zinc/11/62/49/445116249.db2.gz NJWXGSQKRKBHOL-WMLDXEAASA-N 2 2 333.480 1.989 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cnn(C2CCCC2)c1 ZINC000337518033 445116254 /nfs/dbraw/zinc/11/62/54/445116254.db2.gz NJWXGSQKRKBHOL-WMLDXEAASA-N 2 2 333.480 1.989 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NCCc3ccc(F)cc3)C2)C1 ZINC000339442091 445142657 /nfs/dbraw/zinc/14/26/57/445142657.db2.gz XPLDWMDZJQYSOO-IBGZPJMESA-N 2 2 333.451 1.902 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NCCc3ccc(F)cc3)C2)C1 ZINC000339442091 445142659 /nfs/dbraw/zinc/14/26/59/445142659.db2.gz XPLDWMDZJQYSOO-IBGZPJMESA-N 2 2 333.451 1.902 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NCCc3ccc(F)cc3)C2)C1 ZINC000339442091 445142664 /nfs/dbraw/zinc/14/26/64/445142664.db2.gz XPLDWMDZJQYSOO-IBGZPJMESA-N 2 2 333.451 1.902 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NCCc3ccc(F)cc3)C2)C1 ZINC000339442091 445142668 /nfs/dbraw/zinc/14/26/68/445142668.db2.gz XPLDWMDZJQYSOO-IBGZPJMESA-N 2 2 333.451 1.902 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)CC1 ZINC000345040353 445157797 /nfs/dbraw/zinc/15/77/97/445157797.db2.gz YBNSETYZVRGJDP-LPHOPBHVSA-N 3 2 349.523 1.503 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)CC1 ZINC000345040353 445157801 /nfs/dbraw/zinc/15/78/01/445157801.db2.gz YBNSETYZVRGJDP-LPHOPBHVSA-N 3 2 349.523 1.503 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@H+](C)Cc1ccccc1 ZINC000343335161 445203369 /nfs/dbraw/zinc/20/33/69/445203369.db2.gz CFRPIPJBCVWEJE-CRAIPNDOSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000343335161 445203372 /nfs/dbraw/zinc/20/33/72/445203372.db2.gz CFRPIPJBCVWEJE-CRAIPNDOSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343335161 445203374 /nfs/dbraw/zinc/20/33/74/445203374.db2.gz CFRPIPJBCVWEJE-CRAIPNDOSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343335161 445203376 /nfs/dbraw/zinc/20/33/76/445203376.db2.gz CFRPIPJBCVWEJE-CRAIPNDOSA-N 2 2 331.460 1.486 20 0 EDADLP c1ccc(C[NH+]2C[C@H]3CN(CC[N@H+]4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC000348332671 445259541 /nfs/dbraw/zinc/25/95/41/445259541.db2.gz VIBYNPDGXOLVIC-NCYKPQTJSA-N 2 2 341.499 1.913 20 0 EDADLP c1ccc(C[NH+]2C[C@H]3CN(CC[N@@H+]4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC000348332671 445259543 /nfs/dbraw/zinc/25/95/43/445259543.db2.gz VIBYNPDGXOLVIC-NCYKPQTJSA-N 2 2 341.499 1.913 20 0 EDADLP c1ccc(C[NH+]2C[C@H]3C[NH+](CCN4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC000348332671 445259545 /nfs/dbraw/zinc/25/95/45/445259545.db2.gz VIBYNPDGXOLVIC-NCYKPQTJSA-N 2 2 341.499 1.913 20 0 EDADLP C[NH+](C)Cc1cnc(CN(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)s1 ZINC000348175454 445304727 /nfs/dbraw/zinc/30/47/27/445304727.db2.gz TXHVVMBHRGBHBH-HNNXBMFYSA-N 2 2 338.521 1.747 20 0 EDADLP C[NH+](C)Cc1cnc(CN(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)s1 ZINC000348175454 445304730 /nfs/dbraw/zinc/30/47/30/445304730.db2.gz TXHVVMBHRGBHBH-HNNXBMFYSA-N 2 2 338.521 1.747 20 0 EDADLP CN1CCO[C@H](C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC2CC2)C1 ZINC000348175454 445304733 /nfs/dbraw/zinc/30/47/33/445304733.db2.gz TXHVVMBHRGBHBH-HNNXBMFYSA-N 2 2 338.521 1.747 20 0 EDADLP CN1CCO[C@H](C[N@H+](Cc2ncc(C[NH+](C)C)s2)CC2CC2)C1 ZINC000348175454 445304736 /nfs/dbraw/zinc/30/47/36/445304736.db2.gz TXHVVMBHRGBHBH-HNNXBMFYSA-N 2 2 338.521 1.747 20 0 EDADLP C[C@@H]1CCSCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000348183524 445308289 /nfs/dbraw/zinc/30/82/89/445308289.db2.gz NAGNMZDBIUTWSD-CQSZACIVSA-N 2 2 329.510 1.041 20 0 EDADLP C[C@@H]1CCSCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000348183524 445308294 /nfs/dbraw/zinc/30/82/94/445308294.db2.gz NAGNMZDBIUTWSD-CQSZACIVSA-N 2 2 329.510 1.041 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)Cc2ccccn2)cc[nH+]1 ZINC000348184381 445308623 /nfs/dbraw/zinc/30/86/23/445308623.db2.gz WHWNJKDHWBJQEN-GOEBONIOSA-N 2 2 344.438 1.986 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)Cc2ccccn2)cc[nH+]1 ZINC000348184381 445308625 /nfs/dbraw/zinc/30/86/25/445308625.db2.gz WHWNJKDHWBJQEN-GOEBONIOSA-N 2 2 344.438 1.986 20 0 EDADLP CC[N@H+](CCOCCO)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348393330 445274823 /nfs/dbraw/zinc/27/48/23/445274823.db2.gz QOGPTSZMJKGRAZ-CQSZACIVSA-N 2 2 346.431 1.735 20 0 EDADLP CC[N@@H+](CCOCCO)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348393330 445274826 /nfs/dbraw/zinc/27/48/26/445274826.db2.gz QOGPTSZMJKGRAZ-CQSZACIVSA-N 2 2 346.431 1.735 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2ncccn2)cc[nH+]1 ZINC000348163974 445297554 /nfs/dbraw/zinc/29/75/54/445297554.db2.gz GJCLMBHXJLGKDA-KBPBESRZSA-N 2 2 345.426 1.381 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2ncccn2)cc[nH+]1 ZINC000348163974 445297555 /nfs/dbraw/zinc/29/75/55/445297555.db2.gz GJCLMBHXJLGKDA-KBPBESRZSA-N 2 2 345.426 1.381 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2ccnn2C)cc[nH+]1 ZINC000348169213 445300803 /nfs/dbraw/zinc/30/08/03/445300803.db2.gz HTTFRGYAVMKHRP-ZFWWWQNUSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2ccnn2C)cc[nH+]1 ZINC000348169213 445300806 /nfs/dbraw/zinc/30/08/06/445300806.db2.gz HTTFRGYAVMKHRP-ZFWWWQNUSA-N 2 2 347.442 1.325 20 0 EDADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000348570609 445329305 /nfs/dbraw/zinc/32/93/05/445329305.db2.gz PHGFKIUQEGZOAP-QGZVFWFLSA-N 2 2 339.528 1.186 20 0 EDADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000348570609 445329307 /nfs/dbraw/zinc/32/93/07/445329307.db2.gz PHGFKIUQEGZOAP-QGZVFWFLSA-N 2 2 339.528 1.186 20 0 EDADLP CN1CC[NH+](C)[C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000348570609 445329308 /nfs/dbraw/zinc/32/93/08/445329308.db2.gz PHGFKIUQEGZOAP-QGZVFWFLSA-N 2 2 339.528 1.186 20 0 EDADLP CN1CC[NH+](C)[C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000348570609 445329309 /nfs/dbraw/zinc/32/93/09/445329309.db2.gz PHGFKIUQEGZOAP-QGZVFWFLSA-N 2 2 339.528 1.186 20 0 EDADLP CN(C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)CCn1cc[nH+]c1 ZINC000351909443 445369301 /nfs/dbraw/zinc/36/93/01/445369301.db2.gz VBSSLIQGEMBYHX-HZPDHXFCSA-N 2 2 348.426 1.078 20 0 EDADLP CN(C[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)CCn1cc[nH+]c1 ZINC000351909443 445369302 /nfs/dbraw/zinc/36/93/02/445369302.db2.gz VBSSLIQGEMBYHX-HZPDHXFCSA-N 2 2 348.426 1.078 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357072438 445408532 /nfs/dbraw/zinc/40/85/32/445408532.db2.gz HHAYWBZWGWIIHX-ROUUACIJSA-N 2 2 345.487 1.674 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357072438 445408537 /nfs/dbraw/zinc/40/85/37/445408537.db2.gz HHAYWBZWGWIIHX-ROUUACIJSA-N 2 2 345.487 1.674 20 0 EDADLP C[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000348870928 445424775 /nfs/dbraw/zinc/42/47/75/445424775.db2.gz GKKFGKCVVKPVRW-QGZVFWFLSA-N 2 2 344.503 1.187 20 0 EDADLP C[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000348870928 445424779 /nfs/dbraw/zinc/42/47/79/445424779.db2.gz GKKFGKCVVKPVRW-QGZVFWFLSA-N 2 2 344.503 1.187 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357102880 445430468 /nfs/dbraw/zinc/43/04/68/445430468.db2.gz JDLWXEONRLLRPG-ZIAGYGMSSA-N 2 2 326.400 1.847 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357102880 445430471 /nfs/dbraw/zinc/43/04/71/445430471.db2.gz JDLWXEONRLLRPG-ZIAGYGMSSA-N 2 2 326.400 1.847 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000348901535 445434733 /nfs/dbraw/zinc/43/47/33/445434733.db2.gz QLNGOBPHCHODSY-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000348901535 445434734 /nfs/dbraw/zinc/43/47/34/445434734.db2.gz QLNGOBPHCHODSY-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000348932577 445445917 /nfs/dbraw/zinc/44/59/17/445445917.db2.gz YBGKJWROCIZNKW-GUYCJALGSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000348932577 445445921 /nfs/dbraw/zinc/44/59/21/445445921.db2.gz YBGKJWROCIZNKW-GUYCJALGSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000348932577 445445925 /nfs/dbraw/zinc/44/59/25/445445925.db2.gz YBGKJWROCIZNKW-GUYCJALGSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000348932577 445445930 /nfs/dbraw/zinc/44/59/30/445445930.db2.gz YBGKJWROCIZNKW-GUYCJALGSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1nc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000359910454 445484352 /nfs/dbraw/zinc/48/43/52/445484352.db2.gz ZVQAKDLTAMGBGU-IRXDYDNUSA-N 2 2 338.459 1.814 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)CCCC[NH+]1CCOCC1)CCC2 ZINC000359877472 445471188 /nfs/dbraw/zinc/47/11/88/445471188.db2.gz NTXBORUPYSPSMI-INIZCTEOSA-N 2 2 334.464 1.688 20 0 EDADLP CN(C(=O)c1cncn1C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000349109483 445509853 /nfs/dbraw/zinc/50/98/53/445509853.db2.gz NMBGGHGOHRSFLH-DLBZAZTESA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1cncn1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000349109483 445509857 /nfs/dbraw/zinc/50/98/57/445509857.db2.gz NMBGGHGOHRSFLH-DLBZAZTESA-N 2 2 347.507 1.829 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)CC1 ZINC000362707549 445511598 /nfs/dbraw/zinc/51/15/98/445511598.db2.gz UNVSDHQKDQWCLV-ZDUSSCGKSA-N 2 2 343.431 1.167 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)CC1 ZINC000362707549 445511599 /nfs/dbraw/zinc/51/15/99/445511599.db2.gz UNVSDHQKDQWCLV-ZDUSSCGKSA-N 2 2 343.431 1.167 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000362710024 445512334 /nfs/dbraw/zinc/51/23/34/445512334.db2.gz GSOQCBFPFDVQBM-HNNXBMFYSA-N 2 2 345.443 1.243 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000362710024 445512337 /nfs/dbraw/zinc/51/23/37/445512337.db2.gz GSOQCBFPFDVQBM-HNNXBMFYSA-N 2 2 345.443 1.243 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000362760077 445536465 /nfs/dbraw/zinc/53/64/65/445536465.db2.gz OZCSRSLCPJJIEI-INMHGKMJSA-N 2 2 345.491 1.867 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000362760077 445536467 /nfs/dbraw/zinc/53/64/67/445536467.db2.gz OZCSRSLCPJJIEI-INMHGKMJSA-N 2 2 345.491 1.867 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000355903201 445525076 /nfs/dbraw/zinc/52/50/76/445525076.db2.gz ZMRNCEOYOFLUTN-HUUCEWRRSA-N 2 2 349.479 1.194 20 0 EDADLP CC(C)[C@@H](CNc1cc[nH+]c(N2CCCCC2)n1)[NH+]1CCN(C)CC1 ZINC000352410611 445527689 /nfs/dbraw/zinc/52/76/89/445527689.db2.gz RVFRQMNUJQDUSS-QGZVFWFLSA-N 2 2 346.523 2.151 20 0 EDADLP CC(C)[C@@H](CNc1cc[nH+]c(N2CCCCC2)n1)N1CC[NH+](C)CC1 ZINC000352410611 445527691 /nfs/dbraw/zinc/52/76/91/445527691.db2.gz RVFRQMNUJQDUSS-QGZVFWFLSA-N 2 2 346.523 2.151 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000357289263 445528763 /nfs/dbraw/zinc/52/87/63/445528763.db2.gz NCDTXQNAHFHGRY-OAHLLOKOSA-N 2 2 343.431 1.572 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000357289263 445528765 /nfs/dbraw/zinc/52/87/65/445528765.db2.gz NCDTXQNAHFHGRY-OAHLLOKOSA-N 2 2 343.431 1.572 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000349061782 445492378 /nfs/dbraw/zinc/49/23/78/445492378.db2.gz KBOOWCWLGQLPAP-UHFFFAOYSA-N 2 2 333.402 1.886 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000349061782 445492381 /nfs/dbraw/zinc/49/23/81/445492381.db2.gz KBOOWCWLGQLPAP-UHFFFAOYSA-N 2 2 333.402 1.886 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000362674533 445493111 /nfs/dbraw/zinc/49/31/11/445493111.db2.gz QCSYRWIGDMYECC-GOSISDBHSA-N 2 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000362674533 445493114 /nfs/dbraw/zinc/49/31/14/445493114.db2.gz QCSYRWIGDMYECC-GOSISDBHSA-N 2 2 339.443 1.269 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000349277392 445552644 /nfs/dbraw/zinc/55/26/44/445552644.db2.gz BVIXGOXPRWUWEX-INIZCTEOSA-N 2 2 330.432 1.907 20 0 EDADLP CN(C)c1ccnc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362833523 445572348 /nfs/dbraw/zinc/57/23/48/445572348.db2.gz MFFWDOMCHVLSJW-CQSZACIVSA-N 2 2 331.464 1.046 20 0 EDADLP CN(C)c1ccnc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362833523 445572353 /nfs/dbraw/zinc/57/23/53/445572353.db2.gz MFFWDOMCHVLSJW-CQSZACIVSA-N 2 2 331.464 1.046 20 0 EDADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000353498794 445630449 /nfs/dbraw/zinc/63/04/49/445630449.db2.gz BPYOLPLMSIGQSL-PKOBYXMFSA-N 2 2 329.444 1.886 20 0 EDADLP CC[NH+]1CCC([NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)NC)CC1 ZINC000360244992 445653167 /nfs/dbraw/zinc/65/31/67/445653167.db2.gz JHORAAOVIWVFHJ-GOSISDBHSA-N 2 2 328.460 1.899 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000353581373 445664971 /nfs/dbraw/zinc/66/49/71/445664971.db2.gz LDXREORPVGLWEV-BFYDXBDKSA-N 2 2 331.468 1.463 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000353581373 445664976 /nfs/dbraw/zinc/66/49/76/445664976.db2.gz LDXREORPVGLWEV-BFYDXBDKSA-N 2 2 331.468 1.463 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353574308 445662614 /nfs/dbraw/zinc/66/26/14/445662614.db2.gz XBCQBLFDIBBMCJ-YJBOKZPZSA-N 2 2 344.463 1.056 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353574308 445662617 /nfs/dbraw/zinc/66/26/17/445662617.db2.gz XBCQBLFDIBBMCJ-YJBOKZPZSA-N 2 2 344.463 1.056 20 0 EDADLP C[C@H](O)C[NH+]1CCC(CN(C)c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000363106412 445680484 /nfs/dbraw/zinc/68/04/84/445680484.db2.gz LFJIMANDYHEPQC-HNNXBMFYSA-N 2 2 329.448 1.796 20 0 EDADLP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000349862773 445703102 /nfs/dbraw/zinc/70/31/02/445703102.db2.gz YUUBWFSLVHZEEN-INIZCTEOSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000349862773 445703103 /nfs/dbraw/zinc/70/31/03/445703103.db2.gz YUUBWFSLVHZEEN-INIZCTEOSA-N 2 2 345.487 1.660 20 0 EDADLP CCOC(=O)[C@H](C)[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000353678377 445703822 /nfs/dbraw/zinc/70/38/22/445703822.db2.gz SBKXGWLBXQWCJB-GJZGRUSLSA-N 2 2 333.432 1.897 20 0 EDADLP CCOC(=O)[C@H](C)[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000353678377 445703827 /nfs/dbraw/zinc/70/38/27/445703827.db2.gz SBKXGWLBXQWCJB-GJZGRUSLSA-N 2 2 333.432 1.897 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000353703175 445716860 /nfs/dbraw/zinc/71/68/60/445716860.db2.gz ARWPFDDCBANYNE-BPQIPLTHSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@@H](CNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)[N@H+](C)C1CC1 ZINC000363240302 445736015 /nfs/dbraw/zinc/73/60/15/445736015.db2.gz LJWQZZFQXVYGOV-HNNXBMFYSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@@H](CNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)[N@@H+](C)C1CC1 ZINC000363240302 445736022 /nfs/dbraw/zinc/73/60/22/445736022.db2.gz LJWQZZFQXVYGOV-HNNXBMFYSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2nccn2C)CC1)[NH+](C)C1CC1 ZINC000363240302 445736029 /nfs/dbraw/zinc/73/60/29/445736029.db2.gz LJWQZZFQXVYGOV-HNNXBMFYSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1)[NH+](C)C1CC1 ZINC000363240302 445736034 /nfs/dbraw/zinc/73/60/34/445736034.db2.gz LJWQZZFQXVYGOV-HNNXBMFYSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[NH+](Cc2nccn2C)CC1)[N@H+](C)C1CC1 ZINC000363240302 445736039 /nfs/dbraw/zinc/73/60/39/445736039.db2.gz LJWQZZFQXVYGOV-HNNXBMFYSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[NH+](Cc2nccn2C)CC1)[N@@H+](C)C1CC1 ZINC000363240302 445736045 /nfs/dbraw/zinc/73/60/45/445736045.db2.gz LJWQZZFQXVYGOV-HNNXBMFYSA-N 2 2 348.495 1.120 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000360893456 445738059 /nfs/dbraw/zinc/73/80/59/445738059.db2.gz DVTAYGJJUFOERB-WBVHZDCISA-N 2 2 333.480 1.330 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000360893456 445738062 /nfs/dbraw/zinc/73/80/62/445738062.db2.gz DVTAYGJJUFOERB-WBVHZDCISA-N 2 2 333.480 1.330 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000349975965 445739899 /nfs/dbraw/zinc/73/98/99/445739899.db2.gz VGIUKTKHWQKZPP-UHFFFAOYSA-N 2 2 343.471 1.901 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000349975965 445739903 /nfs/dbraw/zinc/73/99/03/445739903.db2.gz VGIUKTKHWQKZPP-UHFFFAOYSA-N 2 2 343.471 1.901 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000363266774 445747136 /nfs/dbraw/zinc/74/71/36/445747136.db2.gz WCJSVXTUKWZKLH-ZNMIVQPWSA-N 2 2 334.464 1.450 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000363266774 445747140 /nfs/dbraw/zinc/74/71/40/445747140.db2.gz WCJSVXTUKWZKLH-ZNMIVQPWSA-N 2 2 334.464 1.450 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nccs2)C1 ZINC000350362877 445817437 /nfs/dbraw/zinc/81/74/37/445817437.db2.gz GENVVZKLMMIHCX-KBPBESRZSA-N 2 2 340.493 1.903 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nccs2)C1 ZINC000350362877 445817438 /nfs/dbraw/zinc/81/74/38/445817438.db2.gz GENVVZKLMMIHCX-KBPBESRZSA-N 2 2 340.493 1.903 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000361575974 445827391 /nfs/dbraw/zinc/82/73/91/445827391.db2.gz FXCRCLUPFVVCFW-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000361575974 445827396 /nfs/dbraw/zinc/82/73/96/445827396.db2.gz FXCRCLUPFVVCFW-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP C(CC1CCOCC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000361493285 445786049 /nfs/dbraw/zinc/78/60/49/445786049.db2.gz RDJQMPAKQUXHPW-UHFFFAOYSA-N 2 2 325.497 1.189 20 0 EDADLP C(CC1CCOCC1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000361493285 445786051 /nfs/dbraw/zinc/78/60/51/445786051.db2.gz RDJQMPAKQUXHPW-UHFFFAOYSA-N 2 2 325.497 1.189 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N2CCC(C)CC2)CC1 ZINC000361519473 445800199 /nfs/dbraw/zinc/80/01/99/445800199.db2.gz OLBBBSRKDVCPLC-UHFFFAOYSA-N 2 2 332.448 1.471 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCOCC1 ZINC000363436438 445801765 /nfs/dbraw/zinc/80/17/65/445801765.db2.gz KJUKGCYSRXIPGG-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCOCC1 ZINC000363436438 445801768 /nfs/dbraw/zinc/80/17/68/445801768.db2.gz KJUKGCYSRXIPGG-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCOCC1 ZINC000363436438 445801773 /nfs/dbraw/zinc/80/17/73/445801773.db2.gz KJUKGCYSRXIPGG-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCOCC1 ZINC000363436438 445801776 /nfs/dbraw/zinc/80/17/76/445801776.db2.gz KJUKGCYSRXIPGG-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP CNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000353907961 445808692 /nfs/dbraw/zinc/80/86/92/445808692.db2.gz IUBZNTBPURXYQR-KRWDZBQOSA-N 2 2 345.491 1.052 20 0 EDADLP CNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000353907961 445808694 /nfs/dbraw/zinc/80/86/94/445808694.db2.gz IUBZNTBPURXYQR-KRWDZBQOSA-N 2 2 345.491 1.052 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363461731 445813793 /nfs/dbraw/zinc/81/37/93/445813793.db2.gz XFRRAMNBEUHWKB-LSDHHAIUSA-N 2 2 333.480 1.967 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363461731 445813796 /nfs/dbraw/zinc/81/37/96/445813796.db2.gz XFRRAMNBEUHWKB-LSDHHAIUSA-N 2 2 333.480 1.967 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000363818467 445877315 /nfs/dbraw/zinc/87/73/15/445877315.db2.gz IMYCHLARCYPFBF-VYDXJSESSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000363818467 445877318 /nfs/dbraw/zinc/87/73/18/445877318.db2.gz IMYCHLARCYPFBF-VYDXJSESSA-N 2 2 338.496 1.364 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000361687894 445877733 /nfs/dbraw/zinc/87/77/33/445877733.db2.gz RLQULGPYQZHDSQ-SFHVURJKSA-N 2 2 343.471 1.402 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000361687894 445877737 /nfs/dbraw/zinc/87/77/37/445877737.db2.gz RLQULGPYQZHDSQ-SFHVURJKSA-N 2 2 343.471 1.402 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000363846613 445879317 /nfs/dbraw/zinc/87/93/17/445879317.db2.gz MUIXRTPDKFNBJQ-LIVBEALHSA-N 2 2 343.471 1.825 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]1([NH+](C)C)CCOc2ccccc21 ZINC000363846613 445879320 /nfs/dbraw/zinc/87/93/20/445879320.db2.gz MUIXRTPDKFNBJQ-LIVBEALHSA-N 2 2 343.471 1.825 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000361614022 445847408 /nfs/dbraw/zinc/84/74/08/445847408.db2.gz WCZIKNHKDGATGC-UHFFFAOYSA-N 2 2 328.420 1.551 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000361614022 445847410 /nfs/dbraw/zinc/84/74/10/445847410.db2.gz WCZIKNHKDGATGC-UHFFFAOYSA-N 2 2 328.420 1.551 20 0 EDADLP C[N@@H+]1CC[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)[C@H]1c1ccccc1 ZINC000365974500 445936313 /nfs/dbraw/zinc/93/63/13/445936313.db2.gz HRHDCNJNAOLXGV-SJLPKXTDSA-N 2 2 339.443 2.171 20 0 EDADLP C[N@H+]1CC[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)[C@H]1c1ccccc1 ZINC000365974500 445936317 /nfs/dbraw/zinc/93/63/17/445936317.db2.gz HRHDCNJNAOLXGV-SJLPKXTDSA-N 2 2 339.443 2.171 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000361778668 445936761 /nfs/dbraw/zinc/93/67/61/445936761.db2.gz BVWGLLSCONZAMW-HZPDHXFCSA-N 2 2 349.479 1.417 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000361778668 445936768 /nfs/dbraw/zinc/93/67/68/445936768.db2.gz BVWGLLSCONZAMW-HZPDHXFCSA-N 2 2 349.479 1.417 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000372884045 445902305 /nfs/dbraw/zinc/90/23/05/445902305.db2.gz SSYZMNNILJZLJZ-QAPCUYQASA-N 2 2 345.491 1.108 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000372884045 445902312 /nfs/dbraw/zinc/90/23/12/445902312.db2.gz SSYZMNNILJZLJZ-QAPCUYQASA-N 2 2 345.491 1.108 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000372884045 445902316 /nfs/dbraw/zinc/90/23/16/445902316.db2.gz SSYZMNNILJZLJZ-QAPCUYQASA-N 2 2 345.491 1.108 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000372884045 445902322 /nfs/dbraw/zinc/90/23/22/445902322.db2.gz SSYZMNNILJZLJZ-QAPCUYQASA-N 2 2 345.491 1.108 20 0 EDADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000356639754 445904424 /nfs/dbraw/zinc/90/44/24/445904424.db2.gz HLIGFLPRQJPCSE-HKUYNNGSSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000356639754 445904430 /nfs/dbraw/zinc/90/44/30/445904430.db2.gz HLIGFLPRQJPCSE-HKUYNNGSSA-N 2 2 349.519 1.964 20 0 EDADLP COC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000354116420 445915988 /nfs/dbraw/zinc/91/59/88/445915988.db2.gz AHOCVEQAEWFPTB-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP COC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000354116420 445915991 /nfs/dbraw/zinc/91/59/91/445915991.db2.gz AHOCVEQAEWFPTB-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP c1nc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc(N2CCSCC2)[nH+]1 ZINC000372970370 445950681 /nfs/dbraw/zinc/95/06/81/445950681.db2.gz SXIIOHUWNBDSBW-GJZGRUSLSA-N 2 2 349.504 1.695 20 0 EDADLP c1nc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc(N2CCSCC2)[nH+]1 ZINC000372970370 445950685 /nfs/dbraw/zinc/95/06/85/445950685.db2.gz SXIIOHUWNBDSBW-GJZGRUSLSA-N 2 2 349.504 1.695 20 0 EDADLP COc1ccccc1/C=C/C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273715 446038545 /nfs/dbraw/zinc/03/85/45/446038545.db2.gz IXOYLLSGQICYSZ-OZSKJFCKSA-N 2 2 343.471 1.993 20 0 EDADLP COc1ccccc1/C=C/C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273715 446038552 /nfs/dbraw/zinc/03/85/52/446038552.db2.gz IXOYLLSGQICYSZ-OZSKJFCKSA-N 2 2 343.471 1.993 20 0 EDADLP CC(C)c1ncncc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274217 446041412 /nfs/dbraw/zinc/04/14/12/446041412.db2.gz NIVKLDRTZAGKFG-CQSZACIVSA-N 2 2 331.464 1.498 20 0 EDADLP CC(C)c1ncncc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274217 446041417 /nfs/dbraw/zinc/04/14/17/446041417.db2.gz NIVKLDRTZAGKFG-CQSZACIVSA-N 2 2 331.464 1.498 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCN(C3CCCCC3)C2=O)CCO1 ZINC000625562274 450428638 /nfs/dbraw/zinc/42/86/38/450428638.db2.gz HZSFMGZBIGCFGZ-ROUUACIJSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)CCO1 ZINC000625562274 450428642 /nfs/dbraw/zinc/42/86/42/450428642.db2.gz HZSFMGZBIGCFGZ-ROUUACIJSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000583143309 326011735 /nfs/dbraw/zinc/01/17/35/326011735.db2.gz GEDNOWLZWYZEBL-VXGBXAGGSA-N 2 2 337.247 1.245 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000583193110 326022982 /nfs/dbraw/zinc/02/29/82/326022982.db2.gz CVTAXXKGBPJKPD-IKGGRYGDSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000583193110 326022984 /nfs/dbraw/zinc/02/29/84/326022984.db2.gz CVTAXXKGBPJKPD-IKGGRYGDSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000583198816 326024571 /nfs/dbraw/zinc/02/45/71/326024571.db2.gz JLYBHMVHQJDNAW-FCEWJHQRSA-N 3 2 335.492 1.308 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000583198816 326024574 /nfs/dbraw/zinc/02/45/74/326024574.db2.gz JLYBHMVHQJDNAW-FCEWJHQRSA-N 3 2 335.492 1.308 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000583198817 326024622 /nfs/dbraw/zinc/02/46/22/326024622.db2.gz JLYBHMVHQJDNAW-GPMSIDNRSA-N 3 2 335.492 1.308 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3(CC(N)=O)CC3)c2cc1C ZINC000583560019 326095647 /nfs/dbraw/zinc/09/56/47/326095647.db2.gz RAHHPTWHOSPSQH-CQSZACIVSA-N 2 2 330.432 1.259 20 0 EDADLP COc1ccc2[nH+]c(C)nc(NCCC[N@@H+]3CCC[C@H]3C(N)=O)c2c1 ZINC000351398797 446056952 /nfs/dbraw/zinc/05/69/52/446056952.db2.gz PEOAYEKKKIKXNG-INIZCTEOSA-N 2 2 343.431 1.699 20 0 EDADLP COc1ccc2[nH+]c(C)nc(NCCC[N@H+]3CCC[C@H]3C(N)=O)c2c1 ZINC000351398797 446056956 /nfs/dbraw/zinc/05/69/56/446056956.db2.gz PEOAYEKKKIKXNG-INIZCTEOSA-N 2 2 343.431 1.699 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000583867097 326155222 /nfs/dbraw/zinc/15/52/22/326155222.db2.gz RNMKEUBHOBNSOR-WRQOLXDDSA-N 2 2 328.497 1.640 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354268695 446064640 /nfs/dbraw/zinc/06/46/40/446064640.db2.gz XVAVZPLECHHFOG-HNNXBMFYSA-N 2 2 336.484 1.530 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000354268695 446064643 /nfs/dbraw/zinc/06/46/43/446064643.db2.gz XVAVZPLECHHFOG-HNNXBMFYSA-N 2 2 336.484 1.530 20 0 EDADLP CN(C(=O)Cc1ccccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365229456 446088813 /nfs/dbraw/zinc/08/88/13/446088813.db2.gz TVQCSINXDUDAOF-KRWDZBQOSA-N 2 2 333.451 1.995 20 0 EDADLP CN(C(=O)Cc1ccccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365229456 446088818 /nfs/dbraw/zinc/08/88/18/446088818.db2.gz TVQCSINXDUDAOF-KRWDZBQOSA-N 2 2 333.451 1.995 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1OC ZINC000351474782 446075882 /nfs/dbraw/zinc/07/58/82/446075882.db2.gz GUDPKWMSJOHHLU-FPMFFAJLSA-N 2 2 349.431 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1OC ZINC000351474782 446075893 /nfs/dbraw/zinc/07/58/93/446075893.db2.gz GUDPKWMSJOHHLU-FPMFFAJLSA-N 2 2 349.431 1.320 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000361929846 446078368 /nfs/dbraw/zinc/07/83/68/446078368.db2.gz SRELKFHHEYBICH-NEWSRXKRSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000361929846 446078372 /nfs/dbraw/zinc/07/83/72/446078372.db2.gz SRELKFHHEYBICH-NEWSRXKRSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000361929846 446078375 /nfs/dbraw/zinc/07/83/75/446078375.db2.gz SRELKFHHEYBICH-NEWSRXKRSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000361929846 446078378 /nfs/dbraw/zinc/07/83/78/446078378.db2.gz SRELKFHHEYBICH-NEWSRXKRSA-N 2 2 333.476 1.057 20 0 EDADLP CCCCOc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359311290 446141655 /nfs/dbraw/zinc/14/16/55/446141655.db2.gz ULFCMMKOINXOJK-IRXDYDNUSA-N 2 2 331.460 1.633 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2c2cccs2)CC1 ZINC000361994635 446135760 /nfs/dbraw/zinc/13/57/60/446135760.db2.gz CNYUHDFKOCDMBP-CYBMUJFWSA-N 2 2 325.503 1.612 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H]2c2cccs2)CC1 ZINC000361994635 446135766 /nfs/dbraw/zinc/13/57/66/446135766.db2.gz CNYUHDFKOCDMBP-CYBMUJFWSA-N 2 2 325.503 1.612 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365245757 446098602 /nfs/dbraw/zinc/09/86/02/446098602.db2.gz WXLPOXQQCYVROU-MRXNPFEDSA-N 2 2 346.475 1.897 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000373225409 446104229 /nfs/dbraw/zinc/10/42/29/446104229.db2.gz ANZZXZUBEVOLML-UHFFFAOYSA-N 2 2 326.404 1.328 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000373225409 446104235 /nfs/dbraw/zinc/10/42/35/446104235.db2.gz ANZZXZUBEVOLML-UHFFFAOYSA-N 2 2 326.404 1.328 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359281950 446116890 /nfs/dbraw/zinc/11/68/90/446116890.db2.gz RXCQBSQGPOZARX-ROUUACIJSA-N 2 2 331.460 1.381 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)C(C)C ZINC000351516205 446119236 /nfs/dbraw/zinc/11/92/36/446119236.db2.gz WWNWVQHRGCWXAY-GOEBONIOSA-N 2 2 327.469 1.106 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C(C)C ZINC000351516205 446119241 /nfs/dbraw/zinc/11/92/41/446119241.db2.gz WWNWVQHRGCWXAY-GOEBONIOSA-N 2 2 327.469 1.106 20 0 EDADLP COC(=O)[C@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC000351516205 446119242 /nfs/dbraw/zinc/11/92/42/446119242.db2.gz WWNWVQHRGCWXAY-GOEBONIOSA-N 2 2 327.469 1.106 20 0 EDADLP COC(=O)[C@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000351516205 446119246 /nfs/dbraw/zinc/11/92/46/446119246.db2.gz WWNWVQHRGCWXAY-GOEBONIOSA-N 2 2 327.469 1.106 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359286009 446122298 /nfs/dbraw/zinc/12/22/98/446122298.db2.gz MGEHUSKLEXAKLT-BPUTZDHNSA-N 2 2 347.459 1.202 20 0 EDADLP CCOc1ccnc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000351607050 446202147 /nfs/dbraw/zinc/20/21/47/446202147.db2.gz GPFVNWJOAITIPV-INIZCTEOSA-N 2 2 333.480 1.872 20 0 EDADLP CCOc1ccnc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000351607050 446202151 /nfs/dbraw/zinc/20/21/51/446202151.db2.gz GPFVNWJOAITIPV-INIZCTEOSA-N 2 2 333.480 1.872 20 0 EDADLP c1nc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000365453829 446213731 /nfs/dbraw/zinc/21/37/31/446213731.db2.gz UAOQNDQIUNWCOY-HNNXBMFYSA-N 2 2 349.504 1.695 20 0 EDADLP c1nc(N2CCSCC2)cc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]1 ZINC000365453829 446213737 /nfs/dbraw/zinc/21/37/37/446213737.db2.gz UAOQNDQIUNWCOY-HNNXBMFYSA-N 2 2 349.504 1.695 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000351625234 446218686 /nfs/dbraw/zinc/21/86/86/446218686.db2.gz UUILXEUDAQCURA-BZSNNMDCSA-N 2 2 339.524 1.968 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366476306 446230096 /nfs/dbraw/zinc/23/00/96/446230096.db2.gz RJDVVCNYTAGOKS-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366476306 446230098 /nfs/dbraw/zinc/23/00/98/446230098.db2.gz RJDVVCNYTAGOKS-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CC[C@H](CO)CC3)C2)CC1 ZINC000370471750 446294520 /nfs/dbraw/zinc/29/45/20/446294520.db2.gz LIHIXSMVGNAXPI-BZUAXINKSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CC[C@H](CO)CC3)C2)CC1 ZINC000370471750 446294522 /nfs/dbraw/zinc/29/45/22/446294522.db2.gz LIHIXSMVGNAXPI-BZUAXINKSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000362175358 446247825 /nfs/dbraw/zinc/24/78/25/446247825.db2.gz CGMQAFRYVISUKR-QAPCUYQASA-N 2 2 337.508 1.676 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000362175358 446247827 /nfs/dbraw/zinc/24/78/27/446247827.db2.gz CGMQAFRYVISUKR-QAPCUYQASA-N 2 2 337.508 1.676 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)oc1C ZINC000373527892 446248857 /nfs/dbraw/zinc/24/88/57/446248857.db2.gz FZMLAFYJFABNEF-CQSZACIVSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)oc1C ZINC000373527892 446248862 /nfs/dbraw/zinc/24/88/62/446248862.db2.gz FZMLAFYJFABNEF-CQSZACIVSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)oc1C ZINC000373527892 446248867 /nfs/dbraw/zinc/24/88/67/446248867.db2.gz FZMLAFYJFABNEF-CQSZACIVSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)oc1C ZINC000373527892 446248870 /nfs/dbraw/zinc/24/88/70/446248870.db2.gz FZMLAFYJFABNEF-CQSZACIVSA-N 2 2 349.475 1.975 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000373542671 446254142 /nfs/dbraw/zinc/25/41/42/446254142.db2.gz CWOQZOIUFJBTIE-KRWDZBQOSA-N 2 2 337.489 1.823 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000373542671 446254145 /nfs/dbraw/zinc/25/41/45/446254145.db2.gz CWOQZOIUFJBTIE-KRWDZBQOSA-N 2 2 337.489 1.823 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370385814 446257257 /nfs/dbraw/zinc/25/72/57/446257257.db2.gz QJUDJKPFUWBRGO-XJKSGUPXSA-N 2 2 340.431 1.549 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370385814 446257259 /nfs/dbraw/zinc/25/72/59/446257259.db2.gz QJUDJKPFUWBRGO-XJKSGUPXSA-N 2 2 340.431 1.549 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc[nH+]1 ZINC000370501449 446309058 /nfs/dbraw/zinc/30/90/58/446309058.db2.gz WFPCJRGUMUQKGX-JYJNAYRXSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc[nH+]1 ZINC000370501449 446309063 /nfs/dbraw/zinc/30/90/63/446309063.db2.gz WFPCJRGUMUQKGX-JYJNAYRXSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]cn1 ZINC000370501449 446309068 /nfs/dbraw/zinc/30/90/68/446309068.db2.gz WFPCJRGUMUQKGX-JYJNAYRXSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]cn1 ZINC000370501449 446309073 /nfs/dbraw/zinc/30/90/73/446309073.db2.gz WFPCJRGUMUQKGX-JYJNAYRXSA-N 2 2 347.463 1.103 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCSC(C)(C)C)CC2)C1 ZINC000370507742 446310915 /nfs/dbraw/zinc/31/09/15/446310915.db2.gz LAPOMYGXPSKIEY-MRXNPFEDSA-N 2 2 329.554 1.856 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCSC(C)(C)C)CC2)C1 ZINC000370507742 446310918 /nfs/dbraw/zinc/31/09/18/446310918.db2.gz LAPOMYGXPSKIEY-MRXNPFEDSA-N 2 2 329.554 1.856 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Sc3ccccn3)CC2)CC1 ZINC000362340511 446326070 /nfs/dbraw/zinc/32/60/70/446326070.db2.gz LEFDLYKSXBRAPS-UHFFFAOYSA-N 2 2 334.489 1.412 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000370601552 446351495 /nfs/dbraw/zinc/35/14/95/446351495.db2.gz ACMVHRBJYMNVNN-IAGOWNOFSA-N 2 2 338.496 1.365 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417521250 446360894 /nfs/dbraw/zinc/36/08/94/446360894.db2.gz OVXJMALTSFAERI-IIDMSEBBSA-N 2 2 348.491 1.657 20 0 EDADLP CCN(C)C(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370633993 446366048 /nfs/dbraw/zinc/36/60/48/446366048.db2.gz HVFJZGLJEQPZCN-UHFFFAOYSA-N 3 2 338.540 1.593 20 0 EDADLP CCN(C)C(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370633993 446366053 /nfs/dbraw/zinc/36/60/53/446366053.db2.gz HVFJZGLJEQPZCN-UHFFFAOYSA-N 3 2 338.540 1.593 20 0 EDADLP CSC[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370715624 446399821 /nfs/dbraw/zinc/39/98/21/446399821.db2.gz UQDRROKFAOGBFZ-HOCLYGCPSA-N 2 2 340.537 1.692 20 0 EDADLP CSC[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370715624 446399825 /nfs/dbraw/zinc/39/98/25/446399825.db2.gz UQDRROKFAOGBFZ-HOCLYGCPSA-N 2 2 340.537 1.692 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370650879 446373365 /nfs/dbraw/zinc/37/33/65/446373365.db2.gz GSGAMBAQWNAQOE-LUKYLMHMSA-N 2 2 325.497 1.722 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370650879 446373368 /nfs/dbraw/zinc/37/33/68/446373368.db2.gz GSGAMBAQWNAQOE-LUKYLMHMSA-N 2 2 325.497 1.722 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000417812029 446374331 /nfs/dbraw/zinc/37/43/31/446374331.db2.gz DQNXAGKFTZGKCO-OCCSQVGLSA-N 2 2 340.493 1.466 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417844820 446375474 /nfs/dbraw/zinc/37/54/74/446375474.db2.gz ZVCAENLOVWZKDU-KBPBESRZSA-N 2 2 340.493 1.419 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417844820 446375476 /nfs/dbraw/zinc/37/54/76/446375476.db2.gz ZVCAENLOVWZKDU-KBPBESRZSA-N 2 2 340.493 1.419 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417844822 446375492 /nfs/dbraw/zinc/37/54/92/446375492.db2.gz ZVCAENLOVWZKDU-KGLIPLIRSA-N 2 2 340.493 1.419 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417844822 446375494 /nfs/dbraw/zinc/37/54/94/446375494.db2.gz ZVCAENLOVWZKDU-KGLIPLIRSA-N 2 2 340.493 1.419 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[NH+]([C@@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000366841553 446376603 /nfs/dbraw/zinc/37/66/03/446376603.db2.gz BDGYLAIQHGIXFZ-HZPDHXFCSA-N 2 2 331.464 1.624 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000411035152 446394735 /nfs/dbraw/zinc/39/47/35/446394735.db2.gz YVKQMQRZRPOAMO-OAHLLOKOSA-N 2 2 347.463 1.057 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000411035152 446394739 /nfs/dbraw/zinc/39/47/39/446394739.db2.gz YVKQMQRZRPOAMO-OAHLLOKOSA-N 2 2 347.463 1.057 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)nc(C(C)C)[nH+]1 ZINC000376239893 446396023 /nfs/dbraw/zinc/39/60/23/446396023.db2.gz MPUMXUMLDINMJT-DNVCBOLYSA-N 2 2 343.475 1.557 20 0 EDADLP Cc1nc(N2CCCC[C@H]2CNC(=O)CC[NH3+])c2c([nH+]1)CCCC2 ZINC000420252095 446433754 /nfs/dbraw/zinc/43/37/54/446433754.db2.gz ZGDAVOOWIJEOKZ-AWEZNQCLSA-N 2 2 331.464 1.488 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000411263024 446452737 /nfs/dbraw/zinc/45/27/37/446452737.db2.gz DPMIQAAWIKQUPF-HNNXBMFYSA-N 2 2 332.448 1.888 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)[C@H](C)C1 ZINC000370728506 446405656 /nfs/dbraw/zinc/40/56/56/446405656.db2.gz BDDGQBWFSXFNBB-OIISXLGYSA-N 2 2 338.496 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)[C@H](C)C1 ZINC000370728506 446405663 /nfs/dbraw/zinc/40/56/63/446405663.db2.gz BDDGQBWFSXFNBB-OIISXLGYSA-N 2 2 338.496 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)[C@H](C)C1 ZINC000370728506 446405668 /nfs/dbraw/zinc/40/56/68/446405668.db2.gz BDDGQBWFSXFNBB-OIISXLGYSA-N 2 2 338.496 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)[C@H](C)C1 ZINC000370728506 446405673 /nfs/dbraw/zinc/40/56/73/446405673.db2.gz BDDGQBWFSXFNBB-OIISXLGYSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000366922381 446411864 /nfs/dbraw/zinc/41/18/64/446411864.db2.gz VFUYTNPCMPEMNR-HNNXBMFYSA-N 2 2 339.915 1.841 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000366922381 446411867 /nfs/dbraw/zinc/41/18/67/446411867.db2.gz VFUYTNPCMPEMNR-HNNXBMFYSA-N 2 2 339.915 1.841 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000366949650 446423300 /nfs/dbraw/zinc/42/33/00/446423300.db2.gz CUGUCEMBNDLEPC-HNNXBMFYSA-N 2 2 347.507 1.009 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000366949650 446423305 /nfs/dbraw/zinc/42/33/05/446423305.db2.gz CUGUCEMBNDLEPC-HNNXBMFYSA-N 2 2 347.507 1.009 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)[NH+]1CCOCC1 ZINC000423307860 446481055 /nfs/dbraw/zinc/48/10/55/446481055.db2.gz WSHAZDBIFMVMAS-ZBFHGGJFSA-N 2 2 341.402 1.438 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)C(=O)C1 ZINC000374931501 446465770 /nfs/dbraw/zinc/46/57/70/446465770.db2.gz QKFQEQQPTIXZIC-GOSISDBHSA-N 2 2 339.480 1.158 20 0 EDADLP CN(C(=O)c1ccc[nH]c1=S)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831541 446466632 /nfs/dbraw/zinc/46/66/32/446466632.db2.gz VMVMBXKSIAXDFI-CQSZACIVSA-N 2 2 334.489 1.611 20 0 EDADLP CN(C(=O)c1ccc[nH]c1=S)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831541 446466635 /nfs/dbraw/zinc/46/66/35/446466635.db2.gz VMVMBXKSIAXDFI-CQSZACIVSA-N 2 2 334.489 1.611 20 0 EDADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000370832403 446468257 /nfs/dbraw/zinc/46/82/57/446468257.db2.gz FTTGFFIMMOXHAN-GOSISDBHSA-N 2 2 328.460 1.012 20 0 EDADLP CN(C(=O)c1cccc(Cl)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836391 446469179 /nfs/dbraw/zinc/46/91/79/446469179.db2.gz AKAOCVHYGSQIFP-AWEZNQCLSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1cccc(Cl)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836391 446469183 /nfs/dbraw/zinc/46/91/83/446469183.db2.gz AKAOCVHYGSQIFP-AWEZNQCLSA-N 2 2 336.867 1.976 20 0 EDADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423271606 446470675 /nfs/dbraw/zinc/47/06/75/446470675.db2.gz YAMYXSWZQRTAHI-HIFRSBDPSA-N 2 2 327.494 1.961 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)cc1F ZINC000423305529 446481929 /nfs/dbraw/zinc/48/19/29/446481929.db2.gz KODBKNJQAWPMEL-KRWDZBQOSA-N 2 2 335.423 1.606 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000423299259 446478313 /nfs/dbraw/zinc/47/83/13/446478313.db2.gz BMJXIUUUMDHQPX-FUHWJXTLSA-N 2 2 333.476 1.829 20 0 EDADLP O=C1[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCN1Cc1ccc(F)cc1F ZINC000420313854 446478852 /nfs/dbraw/zinc/47/88/52/446478852.db2.gz KGVUOHCYXOJLLD-DDUZABMNSA-N 2 2 349.425 1.997 20 0 EDADLP O=C1[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCN1Cc1ccc(F)cc1F ZINC000420313854 446478856 /nfs/dbraw/zinc/47/88/56/446478856.db2.gz KGVUOHCYXOJLLD-DDUZABMNSA-N 2 2 349.425 1.997 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000423304228 446480281 /nfs/dbraw/zinc/48/02/81/446480281.db2.gz NQBITJXSKBDENU-CQSZACIVSA-N 2 2 340.427 1.868 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ncnn1-c1ccccc1 ZINC000420314427 446480561 /nfs/dbraw/zinc/48/05/61/446480561.db2.gz QTAJDFRBQCFPPH-INIZCTEOSA-N 2 2 342.447 1.087 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ncnn1-c1ccccc1 ZINC000420314427 446480566 /nfs/dbraw/zinc/48/05/66/446480566.db2.gz QTAJDFRBQCFPPH-INIZCTEOSA-N 2 2 342.447 1.087 20 0 EDADLP O[C@H](COCC(F)(F)F)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432796180 446507269 /nfs/dbraw/zinc/50/72/69/446507269.db2.gz ZXYGTGTVKVCBSC-OLZOCXBDSA-N 2 2 347.381 1.949 20 0 EDADLP O[C@H](COCC(F)(F)F)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432796180 446507278 /nfs/dbraw/zinc/50/72/78/446507278.db2.gz ZXYGTGTVKVCBSC-OLZOCXBDSA-N 2 2 347.381 1.949 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000418479678 446558060 /nfs/dbraw/zinc/55/80/60/446558060.db2.gz ATBUZINLOFZFAT-CYBMUJFWSA-N 2 2 336.867 1.948 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420390440 446565471 /nfs/dbraw/zinc/56/54/71/446565471.db2.gz NKBWBTVUUCXUFP-CHWSQXEVSA-N 2 2 341.402 1.062 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420390440 446565481 /nfs/dbraw/zinc/56/54/81/446565481.db2.gz NKBWBTVUUCXUFP-CHWSQXEVSA-N 2 2 341.402 1.062 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423399943 446517859 /nfs/dbraw/zinc/51/78/59/446517859.db2.gz WDUZCCRUKSPIOE-ABAIWWIYSA-N 2 2 327.375 1.192 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423399943 446517866 /nfs/dbraw/zinc/51/78/66/446517866.db2.gz WDUZCCRUKSPIOE-ABAIWWIYSA-N 2 2 327.375 1.192 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000452961491 446517967 /nfs/dbraw/zinc/51/79/67/446517967.db2.gz APCIYIIKHPMTQY-BZNIZROVSA-N 2 2 334.370 1.785 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000452961491 446517975 /nfs/dbraw/zinc/51/79/75/446517975.db2.gz APCIYIIKHPMTQY-BZNIZROVSA-N 2 2 334.370 1.785 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000411405282 446522657 /nfs/dbraw/zinc/52/26/57/446522657.db2.gz GOUCBAAGYQDQFQ-MRXNPFEDSA-N 2 2 348.516 1.981 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420390443 446566757 /nfs/dbraw/zinc/56/67/57/446566757.db2.gz NKBWBTVUUCXUFP-STQMWFEESA-N 2 2 341.402 1.062 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420390443 446566765 /nfs/dbraw/zinc/56/67/65/446566765.db2.gz NKBWBTVUUCXUFP-STQMWFEESA-N 2 2 341.402 1.062 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423420999 446528228 /nfs/dbraw/zinc/52/82/28/446528228.db2.gz BYRFIVKDZGQVKN-NHYWBVRUSA-N 2 2 329.391 1.438 20 0 EDADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000420354018 446532858 /nfs/dbraw/zinc/53/28/58/446532858.db2.gz NVRCTAGGOGXENJ-LJQANCHMSA-N 2 2 347.503 1.418 20 0 EDADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])CC2)cc1 ZINC000420354018 446532866 /nfs/dbraw/zinc/53/28/66/446532866.db2.gz NVRCTAGGOGXENJ-LJQANCHMSA-N 2 2 347.503 1.418 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000420357974 446537317 /nfs/dbraw/zinc/53/73/17/446537317.db2.gz DZIRGUFVJAULBU-PBFPGSCMSA-N 2 2 333.432 1.696 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420361044 446541762 /nfs/dbraw/zinc/54/17/62/446541762.db2.gz XSPWXKVGHDXTAT-ZJUUUORDSA-N 2 2 330.226 1.028 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420361044 446541764 /nfs/dbraw/zinc/54/17/64/446541764.db2.gz XSPWXKVGHDXTAT-ZJUUUORDSA-N 2 2 330.226 1.028 20 0 EDADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)CO2 ZINC000453085707 446543324 /nfs/dbraw/zinc/54/33/24/446543324.db2.gz MZPYIUUNHNGYNN-WMZOPIPTSA-N 2 2 334.460 1.945 20 0 EDADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)CO2 ZINC000453085707 446543330 /nfs/dbraw/zinc/54/33/30/446543330.db2.gz MZPYIUUNHNGYNN-WMZOPIPTSA-N 2 2 334.460 1.945 20 0 EDADLP CCCCNc1cc(N2CCC[N@H+](CCCOC)CC2)nc(N)[nH+]1 ZINC000367419677 446543996 /nfs/dbraw/zinc/54/39/96/446543996.db2.gz NXBBUYLRNWCGTM-UHFFFAOYSA-N 2 2 336.484 1.819 20 0 EDADLP CCCCNc1cc(N2CCC[N@@H+](CCCOC)CC2)nc(N)[nH+]1 ZINC000367419677 446544000 /nfs/dbraw/zinc/54/40/00/446544000.db2.gz NXBBUYLRNWCGTM-UHFFFAOYSA-N 2 2 336.484 1.819 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2cscn2)C[N@@H+]1Cc1ccccc1 ZINC000423451781 446544236 /nfs/dbraw/zinc/54/42/36/446544236.db2.gz YOPFUDPQHWSKJQ-IVMMDQJWSA-N 2 2 330.457 1.922 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2cscn2)C[N@H+]1Cc1ccccc1 ZINC000423451781 446544239 /nfs/dbraw/zinc/54/42/39/446544239.db2.gz YOPFUDPQHWSKJQ-IVMMDQJWSA-N 2 2 330.457 1.922 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCCCOc1ccccc1F ZINC000420373905 446553703 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O=C(NC[C@H]1CC[NH2+]CC1(F)F)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418637725 446628909 /nfs/dbraw/zinc/62/89/09/446628909.db2.gz NXLUHJIXRMHWKE-HIFRSBDPSA-N 2 2 338.402 1.417 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000434272510 446633769 /nfs/dbraw/zinc/63/37/69/446633769.db2.gz UUFDNBIESBILDI-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000434272510 446633779 /nfs/dbraw/zinc/63/37/79/446633779.db2.gz UUFDNBIESBILDI-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000423816569 446705718 /nfs/dbraw/zinc/70/57/18/446705718.db2.gz KDCDDQQFOTZHQY-AWEZNQCLSA-N 2 2 337.489 1.722 20 0 EDADLP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000375318100 446716378 /nfs/dbraw/zinc/71/63/78/446716378.db2.gz HOKMVFHVSCJHIQ-ZWKOTPCHSA-N 2 2 335.492 1.794 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3(C(=O)N(C)C)CC3)c2cc1C ZINC000411913132 446725690 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ZINC000420904750 446881493 /nfs/dbraw/zinc/88/14/93/446881493.db2.gz QJGKKPQANUBQHQ-UHFFFAOYSA-N 2 2 347.503 1.407 20 0 EDADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1(O)CCOCC1 ZINC000420919692 446887604 /nfs/dbraw/zinc/88/76/04/446887604.db2.gz IATULESVZASYAI-UHFFFAOYSA-N 2 2 334.460 1.492 20 0 EDADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1(O)CCOCC1 ZINC000420919692 446887608 /nfs/dbraw/zinc/88/76/08/446887608.db2.gz IATULESVZASYAI-UHFFFAOYSA-N 2 2 334.460 1.492 20 0 EDADLP CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420916630 446887623 /nfs/dbraw/zinc/88/76/23/446887623.db2.gz HYINDQYGVJVNOT-RBUKOAKNSA-N 2 2 334.460 1.802 20 0 EDADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)[C@H]2C1 ZINC000368489371 446893660 /nfs/dbraw/zinc/89/36/60/446893660.db2.gz ABWJPOJXOYXUQW-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+]1CC[C@@H]2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)[C@H]2C1 ZINC000368489371 446893667 /nfs/dbraw/zinc/89/36/67/446893667.db2.gz ABWJPOJXOYXUQW-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CC[C@@H]2CC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)[C@H]2C1 ZINC000368489371 446893674 /nfs/dbraw/zinc/89/36/74/446893674.db2.gz ABWJPOJXOYXUQW-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)[C@H]2C1 ZINC000368489371 446893680 /nfs/dbraw/zinc/89/36/80/446893680.db2.gz ABWJPOJXOYXUQW-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)[C@@H]2C1 ZINC000368489369 446894777 /nfs/dbraw/zinc/89/47/77/446894777.db2.gz ABWJPOJXOYXUQW-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+]1CC[C@@H]2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)[C@@H]2C1 ZINC000368489369 446894781 /nfs/dbraw/zinc/89/47/81/446894781.db2.gz ABWJPOJXOYXUQW-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CC[C@@H]2CC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)[C@@H]2C1 ZINC000368489369 446894785 /nfs/dbraw/zinc/89/47/85/446894785.db2.gz ABWJPOJXOYXUQW-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)[C@@H]2C1 ZINC000368489369 446894789 /nfs/dbraw/zinc/89/47/89/446894789.db2.gz ABWJPOJXOYXUQW-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000375591099 446911213 /nfs/dbraw/zinc/91/12/13/446911213.db2.gz LIGMZLNWKPUQGF-SFHVURJKSA-N 2 2 349.523 1.816 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000375591099 446911219 /nfs/dbraw/zinc/91/12/19/446911219.db2.gz LIGMZLNWKPUQGF-SFHVURJKSA-N 2 2 349.523 1.816 20 0 EDADLP CC(C)CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000368550818 446939688 /nfs/dbraw/zinc/93/96/88/446939688.db2.gz HYPMENNNMKTURP-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CN1C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@@H]21 ZINC000420968668 446938975 /nfs/dbraw/zinc/93/89/75/446938975.db2.gz XADKTGZEZVZFFY-MSOLQXFVSA-N 2 2 344.459 1.117 20 0 EDADLP CN1C(=O)N[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@@H]21 ZINC000420968668 446938981 /nfs/dbraw/zinc/93/89/81/446938981.db2.gz XADKTGZEZVZFFY-MSOLQXFVSA-N 2 2 344.459 1.117 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000442754600 446952584 /nfs/dbraw/zinc/95/25/84/446952584.db2.gz BFPAVTKPBDNXCY-HUUCEWRRSA-N 3 2 336.505 1.061 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000442754600 446952588 /nfs/dbraw/zinc/95/25/88/446952588.db2.gz BFPAVTKPBDNXCY-HUUCEWRRSA-N 3 2 336.505 1.061 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761916 446955653 /nfs/dbraw/zinc/95/56/53/446955653.db2.gz ZCRVODJAECKUGA-MBNYWOFBSA-N 2 2 348.447 1.650 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761916 446955657 /nfs/dbraw/zinc/95/56/57/446955657.db2.gz ZCRVODJAECKUGA-MBNYWOFBSA-N 2 2 348.447 1.650 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)c1C ZINC000442777695 446964650 /nfs/dbraw/zinc/96/46/50/446964650.db2.gz DVLVPIUDUOIVRC-ZWNOBZJWSA-N 2 2 347.488 1.690 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)cs2)c1C ZINC000442777695 446964658 /nfs/dbraw/zinc/96/46/58/446964658.db2.gz DVLVPIUDUOIVRC-ZWNOBZJWSA-N 2 2 347.488 1.690 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375675044 446969153 /nfs/dbraw/zinc/96/91/53/446969153.db2.gz CQMYKLHCVFKWGG-MRXNPFEDSA-N 2 2 329.448 1.612 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375675044 446969157 /nfs/dbraw/zinc/96/91/57/446969157.db2.gz CQMYKLHCVFKWGG-MRXNPFEDSA-N 2 2 329.448 1.612 20 0 EDADLP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000419211201 447012677 /nfs/dbraw/zinc/01/26/77/447012677.db2.gz SBWTWMIGXNAKAY-CYBMUJFWSA-N 2 2 341.415 1.047 20 0 EDADLP COCc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000375745883 447018320 /nfs/dbraw/zinc/01/83/20/447018320.db2.gz WUQDIYPZXZZDEU-GFCCVEGCSA-N 2 2 338.477 1.188 20 0 EDADLP COCc1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000375745883 447018326 /nfs/dbraw/zinc/01/83/26/447018326.db2.gz WUQDIYPZXZZDEU-GFCCVEGCSA-N 2 2 338.477 1.188 20 0 EDADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442798485 446973091 /nfs/dbraw/zinc/97/30/91/446973091.db2.gz XZLUNQWHNZWNQB-SRXPKIRMSA-N 2 2 336.480 1.606 20 0 EDADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442798485 446973094 /nfs/dbraw/zinc/97/30/94/446973094.db2.gz XZLUNQWHNZWNQB-SRXPKIRMSA-N 2 2 336.480 1.606 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000368636713 446996069 /nfs/dbraw/zinc/99/60/69/446996069.db2.gz VWBYZLJCBYCQPK-WCXIOVBPSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000368636713 446996075 /nfs/dbraw/zinc/99/60/75/446996075.db2.gz VWBYZLJCBYCQPK-WCXIOVBPSA-N 2 2 338.496 1.079 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC(C)(C)C[NH+]3CCOCC3)cn2c1 ZINC000413157893 447039078 /nfs/dbraw/zinc/03/90/78/447039078.db2.gz QZSMSMIKZVVCJF-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1cnc(N3CCOCC3)s1)CCC2 ZINC000368693358 447043530 /nfs/dbraw/zinc/04/35/30/447043530.db2.gz HIEARLVCHKYURV-ZDUSSCGKSA-N 2 2 333.461 1.843 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000368704438 447053946 /nfs/dbraw/zinc/05/39/46/447053946.db2.gz QKHHHPNTAMRKIH-WBVHZDCISA-N 2 2 348.466 1.595 20 0 EDADLP CN(CC1(O)CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372232886 447028640 /nfs/dbraw/zinc/02/86/40/447028640.db2.gz KRTFUJGACRYLET-HNNXBMFYSA-N 2 2 338.496 1.101 20 0 EDADLP CN(CC1(O)CCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372232886 447028647 /nfs/dbraw/zinc/02/86/47/447028647.db2.gz KRTFUJGACRYLET-HNNXBMFYSA-N 2 2 338.496 1.101 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000413260291 447100974 /nfs/dbraw/zinc/10/09/74/447100974.db2.gz RBIANBBYONETHI-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000413260291 447100979 /nfs/dbraw/zinc/10/09/79/447100979.db2.gz RBIANBBYONETHI-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000413260291 447100982 /nfs/dbraw/zinc/10/09/82/447100982.db2.gz RBIANBBYONETHI-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000413260291 447100986 /nfs/dbraw/zinc/10/09/86/447100986.db2.gz RBIANBBYONETHI-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC(=O)NCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000372530148 447114020 /nfs/dbraw/zinc/11/40/20/447114020.db2.gz HCDXPDHOQVHBFV-QFBILLFUSA-N 2 2 349.523 1.897 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC(=O)NCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000372530148 447114026 /nfs/dbraw/zinc/11/40/26/447114026.db2.gz HCDXPDHOQVHBFV-QFBILLFUSA-N 2 2 349.523 1.897 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(=O)NCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000372530148 447114043 /nfs/dbraw/zinc/11/40/43/447114043.db2.gz HCDXPDHOQVHBFV-QFBILLFUSA-N 2 2 349.523 1.897 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000413297652 447123065 /nfs/dbraw/zinc/12/30/65/447123065.db2.gz JMWDONDEDYBDER-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000413297652 447123068 /nfs/dbraw/zinc/12/30/68/447123068.db2.gz JMWDONDEDYBDER-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCN(C(C)(C)C)C3=O)CC2)c1 ZINC000425394618 447142094 /nfs/dbraw/zinc/14/20/94/447142094.db2.gz LOYMCUMHBNIRPG-HNNXBMFYSA-N 2 2 332.448 1.612 20 0 EDADLP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368817654 447130171 /nfs/dbraw/zinc/13/01/71/447130171.db2.gz NSZVJOJPZFANBL-FJIDUMEYSA-N 2 2 329.444 1.368 20 0 EDADLP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368817654 447130178 /nfs/dbraw/zinc/13/01/78/447130178.db2.gz NSZVJOJPZFANBL-FJIDUMEYSA-N 2 2 329.444 1.368 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C2CCC2)CC1 ZINC000372623508 447192086 /nfs/dbraw/zinc/19/20/86/447192086.db2.gz AQYRJMXJKVTZFW-UHFFFAOYSA-N 2 2 331.464 1.642 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3nnc(CC)n3C)CC2)CC1 ZINC000372625847 447192154 /nfs/dbraw/zinc/19/21/54/447192154.db2.gz RXUQOJAPVXBEDH-UHFFFAOYSA-N 2 2 334.512 1.370 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425505368 447199459 /nfs/dbraw/zinc/19/94/59/447199459.db2.gz YIWNNNJDOUQJHC-YSIASYRMSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@H]1COCC[N@H+]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425505368 447199466 /nfs/dbraw/zinc/19/94/66/447199466.db2.gz YIWNNNJDOUQJHC-YSIASYRMSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@H]1COCC[NH+]1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425505368 447199469 /nfs/dbraw/zinc/19/94/69/447199469.db2.gz YIWNNNJDOUQJHC-YSIASYRMSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@H]1COCC[NH+]1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425505368 447199474 /nfs/dbraw/zinc/19/94/74/447199474.db2.gz YIWNNNJDOUQJHC-YSIASYRMSA-N 2 2 329.488 1.913 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000372639022 447200222 /nfs/dbraw/zinc/20/02/22/447200222.db2.gz ILGISGDHMQUJGU-GOEBONIOSA-N 2 2 334.464 1.909 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)n1C ZINC000414311322 447291112 /nfs/dbraw/zinc/29/11/12/447291112.db2.gz MKRJVBRQXKFDIA-UHFFFAOYSA-N 3 2 331.464 1.716 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C2CC2)nn1 ZINC000448150190 447304586 /nfs/dbraw/zinc/30/45/86/447304586.db2.gz BMSFDMHTLZXXNC-UHFFFAOYSA-N 2 2 346.479 1.844 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C2CC2)nn1 ZINC000448150190 447304590 /nfs/dbraw/zinc/30/45/90/447304590.db2.gz BMSFDMHTLZXXNC-UHFFFAOYSA-N 2 2 346.479 1.844 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CCCCC[NH2+]1 ZINC000382419980 447462959 /nfs/dbraw/zinc/46/29/59/447462959.db2.gz BDYBSDQMVNRNIT-ROUUACIJSA-N 2 2 331.460 1.536 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CCCCC[NH2+]1 ZINC000382419980 447462964 /nfs/dbraw/zinc/46/29/64/447462964.db2.gz BDYBSDQMVNRNIT-ROUUACIJSA-N 2 2 331.460 1.536 20 0 EDADLP Cc1noc(C2CCC([NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000495081007 447476308 /nfs/dbraw/zinc/47/63/08/447476308.db2.gz FMUJHLAMGOAJOA-YMAMQOFZSA-N 2 2 335.452 1.334 20 0 EDADLP Cc1noc(C2CCC([NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000495081007 447476310 /nfs/dbraw/zinc/47/63/10/447476310.db2.gz FMUJHLAMGOAJOA-YMAMQOFZSA-N 2 2 335.452 1.334 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCC[C@H]2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000458880138 447494570 /nfs/dbraw/zinc/49/45/70/447494570.db2.gz IUKAUZUJRBZSFP-IMJJTQAJSA-N 2 2 326.460 1.687 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCC[C@H]2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000458880138 447494578 /nfs/dbraw/zinc/49/45/78/447494578.db2.gz IUKAUZUJRBZSFP-IMJJTQAJSA-N 2 2 326.460 1.687 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390884365 447505048 /nfs/dbraw/zinc/50/50/48/447505048.db2.gz VDODGLIGALKYCA-AZUAARDMSA-N 3 2 346.519 1.161 20 0 EDADLP [NH3+]C[C@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000419966696 447519846 /nfs/dbraw/zinc/51/98/46/447519846.db2.gz LSSWSWCQWIPEIX-GJZGRUSLSA-N 2 2 347.463 1.487 20 0 EDADLP C[C@H]([C@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000416149285 447533009 /nfs/dbraw/zinc/53/30/09/447533009.db2.gz GRPGYPJRMFCBMO-JZXOWHBKSA-N 2 2 333.476 1.905 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427123404 447547553 /nfs/dbraw/zinc/54/75/53/447547553.db2.gz JDUDKXGITALTEJ-DOTOQJQBSA-N 2 2 334.464 1.635 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427123404 447547563 /nfs/dbraw/zinc/54/75/63/447547563.db2.gz JDUDKXGITALTEJ-DOTOQJQBSA-N 2 2 334.464 1.635 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427123405 447547925 /nfs/dbraw/zinc/54/79/25/447547925.db2.gz JDUDKXGITALTEJ-NVXWUHKLSA-N 2 2 334.464 1.635 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427123405 447547929 /nfs/dbraw/zinc/54/79/29/447547929.db2.gz JDUDKXGITALTEJ-NVXWUHKLSA-N 2 2 334.464 1.635 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416250874 447550223 /nfs/dbraw/zinc/55/02/23/447550223.db2.gz GYDVFLXPBKTOHZ-UHFFFAOYSA-N 2 2 345.487 1.662 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416250874 447550230 /nfs/dbraw/zinc/55/02/30/447550230.db2.gz GYDVFLXPBKTOHZ-UHFFFAOYSA-N 2 2 345.487 1.662 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[N@H+](C)C2CC[NH+](CCO)CC2)CCO1 ZINC000459334622 447636919 /nfs/dbraw/zinc/63/69/19/447636919.db2.gz MEMZVVDBJUVADP-QGZVFWFLSA-N 2 2 347.503 1.800 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[N@@H+](C)C2CC[NH+](CCO)CC2)CCO1 ZINC000459334622 447636920 /nfs/dbraw/zinc/63/69/20/447636920.db2.gz MEMZVVDBJUVADP-QGZVFWFLSA-N 2 2 347.503 1.800 20 0 EDADLP CC[C@H](C)[NH+]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000450866913 447600352 /nfs/dbraw/zinc/60/03/52/447600352.db2.gz YWALENCBBUYIAL-HOTGVXAUSA-N 2 2 333.480 1.748 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416863085 447697644 /nfs/dbraw/zinc/69/76/44/447697644.db2.gz MNIBSHSVRSLLGL-INIZCTEOSA-N 2 2 346.475 1.318 20 0 EDADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCN1C(=O)N[C@H](C)C1=O ZINC000459399888 447652624 /nfs/dbraw/zinc/65/26/24/447652624.db2.gz BGUHQWFFYUGNSF-NVXWUHKLSA-N 2 2 346.475 1.673 20 0 EDADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCN1C(=O)N[C@H](C)C1=O ZINC000459399888 447652629 /nfs/dbraw/zinc/65/26/29/447652629.db2.gz BGUHQWFFYUGNSF-NVXWUHKLSA-N 2 2 346.475 1.673 20 0 EDADLP CCNc1nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000420231839 447680778 /nfs/dbraw/zinc/68/07/78/447680778.db2.gz SLDSEAQDXJEPCV-AVGNSLFASA-N 2 2 333.484 1.499 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[nH+]1 ZINC000420231839 447680784 /nfs/dbraw/zinc/68/07/84/447680784.db2.gz SLDSEAQDXJEPCV-AVGNSLFASA-N 2 2 333.484 1.499 20 0 EDADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416931581 447713466 /nfs/dbraw/zinc/71/34/66/447713466.db2.gz NLUYUUKYTFJBOB-INIZCTEOSA-N 2 2 349.479 1.433 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC000416938976 447715849 /nfs/dbraw/zinc/71/58/49/447715849.db2.gz MESAHFGDJYBKRQ-GDBMZVCRSA-N 2 2 331.464 1.808 20 0 EDADLP CCC(CC)C(=O)N1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422713802 447724935 /nfs/dbraw/zinc/72/49/35/447724935.db2.gz HYXRWUYUKDBXRP-ZWKOTPCHSA-N 2 2 337.508 1.770 20 0 EDADLP OC[C@@]1(O)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000459632582 447726016 /nfs/dbraw/zinc/72/60/16/447726016.db2.gz LQWOSKWTJYDDFE-RTBURBONSA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@@]1(O)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000459632582 447726020 /nfs/dbraw/zinc/72/60/20/447726020.db2.gz LQWOSKWTJYDDFE-RTBURBONSA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@@]1(O)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000459632582 447726022 /nfs/dbraw/zinc/72/60/22/447726022.db2.gz LQWOSKWTJYDDFE-RTBURBONSA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@@]1(O)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000459632582 447726025 /nfs/dbraw/zinc/72/60/25/447726025.db2.gz LQWOSKWTJYDDFE-RTBURBONSA-N 2 2 334.460 1.097 20 0 EDADLP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422720491 447727756 /nfs/dbraw/zinc/72/77/56/447727756.db2.gz SMCWTZBTSIGPNI-UIAACRFSSA-N 2 2 329.488 1.790 20 0 EDADLP C[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422720491 447727760 /nfs/dbraw/zinc/72/77/60/447727760.db2.gz SMCWTZBTSIGPNI-UIAACRFSSA-N 2 2 329.488 1.790 20 0 EDADLP C[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422720491 447727763 /nfs/dbraw/zinc/72/77/63/447727763.db2.gz SMCWTZBTSIGPNI-UIAACRFSSA-N 2 2 329.488 1.790 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422722711 447728822 /nfs/dbraw/zinc/72/88/22/447728822.db2.gz YOLBIOZSRNUROA-RLLQIKCJSA-N 3 2 331.504 1.908 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422722711 447728827 /nfs/dbraw/zinc/72/88/27/447728827.db2.gz YOLBIOZSRNUROA-RLLQIKCJSA-N 3 2 331.504 1.908 20 0 EDADLP C[C@H]1CCSCC[N@@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496188386 447739194 /nfs/dbraw/zinc/73/91/94/447739194.db2.gz UPRCYMLTDCVHJE-XJKSGUPXSA-N 2 2 325.478 1.688 20 0 EDADLP C[C@H]1CCSCC[N@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496188386 447739198 /nfs/dbraw/zinc/73/91/98/447739198.db2.gz UPRCYMLTDCVHJE-XJKSGUPXSA-N 2 2 325.478 1.688 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422754088 447739361 /nfs/dbraw/zinc/73/93/61/447739361.db2.gz DPSDEQCPVNOJOB-QFBILLFUSA-N 2 2 345.487 1.895 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000422761963 447742911 /nfs/dbraw/zinc/74/29/11/447742911.db2.gz NFLRQHDGJKVWDU-WMZOPIPTSA-N 3 2 333.476 1.615 20 0 EDADLP CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422766588 447744007 /nfs/dbraw/zinc/74/40/07/447744007.db2.gz RYDRQLBMYDQXOO-HOTGVXAUSA-N 2 2 325.478 1.475 20 0 EDADLP CC(C)C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000422809818 447755999 /nfs/dbraw/zinc/75/59/99/447755999.db2.gz SJUHQJZLCDFTBF-SQNIBIBYSA-N 2 2 325.497 1.090 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422876936 447770183 /nfs/dbraw/zinc/77/01/83/447770183.db2.gz GUMHRBWJZGUKEO-BDXSIMOUSA-N 3 2 336.524 1.439 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422876936 447770188 /nfs/dbraw/zinc/77/01/88/447770188.db2.gz GUMHRBWJZGUKEO-BDXSIMOUSA-N 3 2 336.524 1.439 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430553211 447776640 /nfs/dbraw/zinc/77/66/40/447776640.db2.gz LBJLUIUDUVTPFU-UHFFFAOYSA-N 3 2 346.519 1.556 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430553211 447776642 /nfs/dbraw/zinc/77/66/42/447776642.db2.gz LBJLUIUDUVTPFU-UHFFFAOYSA-N 3 2 346.519 1.556 20 0 EDADLP COc1cc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])cc(OC)c1OC ZINC000430552459 447776704 /nfs/dbraw/zinc/77/67/04/447776704.db2.gz RINUTNPPRBBJNX-UHFFFAOYSA-N 2 2 339.436 1.568 20 0 EDADLP COc1cc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])cc(OC)c1OC ZINC000430552459 447776708 /nfs/dbraw/zinc/77/67/08/447776708.db2.gz RINUTNPPRBBJNX-UHFFFAOYSA-N 2 2 339.436 1.568 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565288 447780451 /nfs/dbraw/zinc/78/04/51/447780451.db2.gz FEZSTFZUGGRZFR-PKOBYXMFSA-N 3 2 344.503 1.390 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565288 447780453 /nfs/dbraw/zinc/78/04/53/447780453.db2.gz FEZSTFZUGGRZFR-PKOBYXMFSA-N 3 2 344.503 1.390 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430595434 447782487 /nfs/dbraw/zinc/78/24/87/447782487.db2.gz UTDRNQAANSRTDK-UHFFFAOYSA-N 2 2 333.476 1.912 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430595434 447782491 /nfs/dbraw/zinc/78/24/91/447782491.db2.gz UTDRNQAANSRTDK-UHFFFAOYSA-N 2 2 333.476 1.912 20 0 EDADLP O[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCCCC1 ZINC000422971657 447784649 /nfs/dbraw/zinc/78/46/49/447784649.db2.gz JIAOYUGVUKYKAQ-YVWKXTFCSA-N 3 2 345.487 1.679 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000430805252 447787077 /nfs/dbraw/zinc/78/70/77/447787077.db2.gz IDJCDDIPFAPJRZ-KRWDZBQOSA-N 2 2 328.416 2.017 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000430930046 447787685 /nfs/dbraw/zinc/78/76/85/447787685.db2.gz RGOUHASZKMIJME-LJQANCHMSA-N 3 2 344.503 1.181 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000430930046 447787690 /nfs/dbraw/zinc/78/76/90/447787690.db2.gz RGOUHASZKMIJME-LJQANCHMSA-N 3 2 344.503 1.181 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430969906 447788813 /nfs/dbraw/zinc/78/88/13/447788813.db2.gz HJMOTMFPTYGFSB-YOEHRIQHSA-N 2 2 335.448 1.249 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430969906 447788815 /nfs/dbraw/zinc/78/88/15/447788815.db2.gz HJMOTMFPTYGFSB-YOEHRIQHSA-N 2 2 335.448 1.249 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422998297 447789497 /nfs/dbraw/zinc/78/94/97/447789497.db2.gz WIQKMYUGURXVQL-QYZOEREBSA-N 2 2 334.460 1.865 20 0 EDADLP OC[C@]1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C[C@@H]1c1ccc(F)cc1 ZINC000423069972 447799151 /nfs/dbraw/zinc/79/91/51/447799151.db2.gz BXEKOQXVTQFRTD-NCXUSEDFSA-N 2 2 334.435 1.648 20 0 EDADLP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1S(C)(=O)=O ZINC000423080236 447801101 /nfs/dbraw/zinc/80/11/01/447801101.db2.gz ZFFPYGFMVWVQLY-RDJZCZTQSA-N 2 2 338.473 1.255 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496631807 447837261 /nfs/dbraw/zinc/83/72/61/447837261.db2.gz IESJTMXCZWLRTO-HOCLYGCPSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496631807 447837262 /nfs/dbraw/zinc/83/72/62/447837262.db2.gz IESJTMXCZWLRTO-HOCLYGCPSA-N 2 2 341.496 1.678 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000489314121 447854369 /nfs/dbraw/zinc/85/43/69/447854369.db2.gz OHWVWLWESVBOIB-KRWDZBQOSA-N 2 2 345.491 1.002 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000489314121 447854371 /nfs/dbraw/zinc/85/43/71/447854371.db2.gz OHWVWLWESVBOIB-KRWDZBQOSA-N 2 2 345.491 1.002 20 0 EDADLP OC[C@H]1CCCN(c2cc(N[C@@H]3CCn4cc[nH+]c4C3)[nH+]cn2)C1 ZINC000489945046 447880423 /nfs/dbraw/zinc/88/04/23/447880423.db2.gz MNCPVJMSUFHVPD-UONOGXRCSA-N 2 2 328.420 1.309 20 0 EDADLP OC[C@H]1CCCN(c2cc(N[C@@H]3CCn4cc[nH+]c4C3)nc[nH+]2)C1 ZINC000489945046 447880430 /nfs/dbraw/zinc/88/04/30/447880430.db2.gz MNCPVJMSUFHVPD-UONOGXRCSA-N 2 2 328.420 1.309 20 0 EDADLP O=C(Cn1cc[nH+]c1)NCc1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000569897741 447910915 /nfs/dbraw/zinc/91/09/15/447910915.db2.gz PFIBPOOJYAMOFY-UHFFFAOYSA-N 2 2 338.371 1.035 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037961 447955476 /nfs/dbraw/zinc/95/54/76/447955476.db2.gz IZTGIHNVZFNOKR-AEFFLSMTSA-N 3 2 348.466 1.139 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037961 447955483 /nfs/dbraw/zinc/95/54/83/447955483.db2.gz IZTGIHNVZFNOKR-AEFFLSMTSA-N 3 2 348.466 1.139 20 0 EDADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037961 447955488 /nfs/dbraw/zinc/95/54/88/447955488.db2.gz IZTGIHNVZFNOKR-AEFFLSMTSA-N 3 2 348.466 1.139 20 0 EDADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037961 447955495 /nfs/dbraw/zinc/95/54/95/447955495.db2.gz IZTGIHNVZFNOKR-AEFFLSMTSA-N 3 2 348.466 1.139 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCCCCn2cc[nH+]c2)CCCO1 ZINC000569917242 447915894 /nfs/dbraw/zinc/91/58/94/447915894.db2.gz LOGDNJHOLVJBKF-MRXNPFEDSA-N 2 2 337.468 1.463 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCCCCn2cc[nH+]c2)CCCO1 ZINC000569917242 447915899 /nfs/dbraw/zinc/91/58/99/447915899.db2.gz LOGDNJHOLVJBKF-MRXNPFEDSA-N 2 2 337.468 1.463 20 0 EDADLP CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000575905187 447925715 /nfs/dbraw/zinc/92/57/15/447925715.db2.gz KANJEMGLZAJGBO-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000570567702 448030999 /nfs/dbraw/zinc/03/09/99/448030999.db2.gz MHNVJLDEEUNNRC-KBPBESRZSA-N 2 2 333.432 1.321 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000570567702 448031002 /nfs/dbraw/zinc/03/10/02/448031002.db2.gz MHNVJLDEEUNNRC-KBPBESRZSA-N 2 2 333.432 1.321 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554542361 448031248 /nfs/dbraw/zinc/03/12/48/448031248.db2.gz GUWJMWPIHBMCBC-UHFFFAOYSA-N 2 2 344.419 1.122 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)[C@H]2C1 ZINC000554541656 448031275 /nfs/dbraw/zinc/03/12/75/448031275.db2.gz KYGAJTHEKRRYAX-HOTGVXAUSA-N 2 2 340.431 1.884 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)[C@H]2C1 ZINC000554541656 448031280 /nfs/dbraw/zinc/03/12/80/448031280.db2.gz KYGAJTHEKRRYAX-HOTGVXAUSA-N 2 2 340.431 1.884 20 0 EDADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570828030 448071267 /nfs/dbraw/zinc/07/12/67/448071267.db2.gz SRTQMNFCUZRUMD-YUELXQCFSA-N 2 2 326.400 1.646 20 0 EDADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570828030 448071271 /nfs/dbraw/zinc/07/12/71/448071271.db2.gz SRTQMNFCUZRUMD-YUELXQCFSA-N 2 2 326.400 1.646 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000526004417 448076343 /nfs/dbraw/zinc/07/63/43/448076343.db2.gz SLTGJTJWMPNEIO-LBPRGKRZSA-N 2 2 330.436 1.389 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000526004417 448076348 /nfs/dbraw/zinc/07/63/48/448076348.db2.gz SLTGJTJWMPNEIO-LBPRGKRZSA-N 2 2 330.436 1.389 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC([N@H+](C)CCO)CC1)C2 ZINC000526010824 448077381 /nfs/dbraw/zinc/07/73/81/448077381.db2.gz MCJPTFXFEAUNGQ-CQSZACIVSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)C2 ZINC000526010824 448077385 /nfs/dbraw/zinc/07/73/85/448077385.db2.gz MCJPTFXFEAUNGQ-CQSZACIVSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC([N@H+](C)CCO)CC1)CC2 ZINC000526010824 448077390 /nfs/dbraw/zinc/07/73/90/448077390.db2.gz MCJPTFXFEAUNGQ-CQSZACIVSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)CC2 ZINC000526010824 448077394 /nfs/dbraw/zinc/07/73/94/448077394.db2.gz MCJPTFXFEAUNGQ-CQSZACIVSA-N 2 2 348.491 1.553 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000571492826 448160301 /nfs/dbraw/zinc/16/03/01/448160301.db2.gz APKLIWNTLHULOP-UHFFFAOYSA-N 2 2 344.503 1.657 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000571492826 448160308 /nfs/dbraw/zinc/16/03/08/448160308.db2.gz APKLIWNTLHULOP-UHFFFAOYSA-N 2 2 344.503 1.657 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2c(c1)OCCO2 ZINC000571186874 448121114 /nfs/dbraw/zinc/12/11/14/448121114.db2.gz KQTZMTLBRYYGAC-ZBFHGGJFSA-N 2 2 345.443 1.860 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2c(c1)OCCO2 ZINC000571186874 448121119 /nfs/dbraw/zinc/12/11/19/448121119.db2.gz KQTZMTLBRYYGAC-ZBFHGGJFSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531708764 448130265 /nfs/dbraw/zinc/13/02/65/448130265.db2.gz WZVSSIQASJFWGB-IAGOWNOFSA-N 3 2 345.491 1.050 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000531708764 448130270 /nfs/dbraw/zinc/13/02/70/448130270.db2.gz WZVSSIQASJFWGB-IAGOWNOFSA-N 3 2 345.491 1.050 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497043461 448150630 /nfs/dbraw/zinc/15/06/30/448150630.db2.gz BXENXPBZUVGYIX-GOEBONIOSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497043461 448150638 /nfs/dbraw/zinc/15/06/38/448150638.db2.gz BXENXPBZUVGYIX-GOEBONIOSA-N 2 2 341.496 1.678 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000514720978 448192475 /nfs/dbraw/zinc/19/24/75/448192475.db2.gz SNXIUJWMRAUCQH-CJNGLKHVSA-N 2 2 345.422 1.947 20 0 EDADLP Cc1ccc(-c2cc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)on2)cc1 ZINC000571702873 448193821 /nfs/dbraw/zinc/19/38/21/448193821.db2.gz SFRIDNSIERXXBX-GDBMZVCRSA-N 2 2 326.400 1.394 20 0 EDADLP Cc1ccc(-c2cc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)on2)cc1 ZINC000571702873 448193825 /nfs/dbraw/zinc/19/38/25/448193825.db2.gz SFRIDNSIERXXBX-GDBMZVCRSA-N 2 2 326.400 1.394 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000577083123 448208759 /nfs/dbraw/zinc/20/87/59/448208759.db2.gz KXNJZYCOEAHGLZ-CQSZACIVSA-N 2 2 326.485 1.175 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000577083123 448208765 /nfs/dbraw/zinc/20/87/65/448208765.db2.gz KXNJZYCOEAHGLZ-CQSZACIVSA-N 2 2 326.485 1.175 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)[C@@H](C[NH3+])C1 ZINC000582408080 448227345 /nfs/dbraw/zinc/22/73/45/448227345.db2.gz UOIMCHGIOVYPSI-HNNXBMFYSA-N 2 2 326.404 1.250 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)[C@@H](C[NH3+])C1 ZINC000582408080 448227352 /nfs/dbraw/zinc/22/73/52/448227352.db2.gz UOIMCHGIOVYPSI-HNNXBMFYSA-N 2 2 326.404 1.250 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000582548746 448271740 /nfs/dbraw/zinc/27/17/40/448271740.db2.gz VTXBBYKCVQFQAZ-SFHVURJKSA-N 2 2 331.464 1.699 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000582494760 448253512 /nfs/dbraw/zinc/25/35/12/448253512.db2.gz HSEFSPNNRAUBID-IBGZPJMESA-N 2 2 347.503 1.466 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000582494760 448253518 /nfs/dbraw/zinc/25/35/18/448253518.db2.gz HSEFSPNNRAUBID-IBGZPJMESA-N 2 2 347.503 1.466 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000582494760 448253521 /nfs/dbraw/zinc/25/35/21/448253521.db2.gz HSEFSPNNRAUBID-IBGZPJMESA-N 2 2 347.503 1.466 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000582494760 448253527 /nfs/dbraw/zinc/25/35/27/448253527.db2.gz HSEFSPNNRAUBID-IBGZPJMESA-N 2 2 347.503 1.466 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000591095263 448259367 /nfs/dbraw/zinc/25/93/67/448259367.db2.gz AJMWBOPKZBIGBE-LJQANCHMSA-N 2 2 344.503 1.799 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000591095263 448259372 /nfs/dbraw/zinc/25/93/72/448259372.db2.gz AJMWBOPKZBIGBE-LJQANCHMSA-N 2 2 344.503 1.799 20 0 EDADLP CN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532799270 448317649 /nfs/dbraw/zinc/31/76/49/448317649.db2.gz YCPXUCVGHANXRC-GOEBONIOSA-N 2 2 329.448 1.538 20 0 EDADLP CN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000532799270 448317654 /nfs/dbraw/zinc/31/76/54/448317654.db2.gz YCPXUCVGHANXRC-GOEBONIOSA-N 2 2 329.448 1.538 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000577383654 448283578 /nfs/dbraw/zinc/28/35/78/448283578.db2.gz DMKMDGJDAJMBIG-INIZCTEOSA-N 2 2 337.464 1.172 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000577383654 448283581 /nfs/dbraw/zinc/28/35/81/448283581.db2.gz DMKMDGJDAJMBIG-INIZCTEOSA-N 2 2 337.464 1.172 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000572110003 448287697 /nfs/dbraw/zinc/28/76/97/448287697.db2.gz YHCLRODVFTWHON-MJGOQNOKSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000572110003 448287702 /nfs/dbraw/zinc/28/77/02/448287702.db2.gz YHCLRODVFTWHON-MJGOQNOKSA-N 2 2 348.487 1.920 20 0 EDADLP C[C@@]1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCC[NH2+]1 ZINC000582609270 448289430 /nfs/dbraw/zinc/28/94/30/448289430.db2.gz HXLBEKYOXOIHQM-IBGZPJMESA-N 2 2 344.459 1.348 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000577461107 448301207 /nfs/dbraw/zinc/30/12/07/448301207.db2.gz XLOZEZQDXHOVQS-IKGGRYGDSA-N 2 2 342.867 1.699 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000577461107 448301210 /nfs/dbraw/zinc/30/12/10/448301210.db2.gz XLOZEZQDXHOVQS-IKGGRYGDSA-N 2 2 342.867 1.699 20 0 EDADLP COCCC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582835435 448352473 /nfs/dbraw/zinc/35/24/73/448352473.db2.gz RJSCZZLCZPFMAE-ZWKOTPCHSA-N 2 2 348.491 1.309 20 0 EDADLP COCCC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582835435 448352480 /nfs/dbraw/zinc/35/24/80/448352480.db2.gz RJSCZZLCZPFMAE-ZWKOTPCHSA-N 2 2 348.491 1.309 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000591426254 448359952 /nfs/dbraw/zinc/35/99/52/448359952.db2.gz XHRPLDBKDWOPPK-ZWKOTPCHSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000591426254 448359959 /nfs/dbraw/zinc/35/99/59/448359959.db2.gz XHRPLDBKDWOPPK-ZWKOTPCHSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000515884435 448361288 /nfs/dbraw/zinc/36/12/88/448361288.db2.gz OHYAJFKJTFJRSN-INIZCTEOSA-N 2 2 339.443 1.896 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000515884435 448361298 /nfs/dbraw/zinc/36/12/98/448361298.db2.gz OHYAJFKJTFJRSN-INIZCTEOSA-N 2 2 339.443 1.896 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)[NH+]1CCOCC1 ZINC000572261399 448331357 /nfs/dbraw/zinc/33/13/57/448331357.db2.gz BGXJGSAINXELTH-HDMKZQKVSA-N 2 2 346.475 1.282 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CCCO1 ZINC000591553995 448388106 /nfs/dbraw/zinc/38/81/06/448388106.db2.gz SNDQVVZRDJNVCR-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CCCO1 ZINC000591553995 448388112 /nfs/dbraw/zinc/38/81/12/448388112.db2.gz SNDQVVZRDJNVCR-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)NCc3c[nH+]cn3C)CCCC2)CC1 ZINC000582957127 448388714 /nfs/dbraw/zinc/38/87/14/448388714.db2.gz MLKPCUMZXDMQFC-UHFFFAOYSA-N 2 2 349.479 1.643 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)n[nH]1 ZINC000582972891 448394391 /nfs/dbraw/zinc/39/43/91/448394391.db2.gz VIMVTHWWFFEQIH-TZMCWYRMSA-N 2 2 342.447 1.839 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)n[nH]1 ZINC000582972891 448394396 /nfs/dbraw/zinc/39/43/96/448394396.db2.gz VIMVTHWWFFEQIH-TZMCWYRMSA-N 2 2 342.447 1.839 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000572519385 448400109 /nfs/dbraw/zinc/40/01/09/448400109.db2.gz IYMWJZOYSJYFJM-SNVBAGLBSA-N 2 2 332.231 1.474 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000572519385 448400116 /nfs/dbraw/zinc/40/01/16/448400116.db2.gz IYMWJZOYSJYFJM-SNVBAGLBSA-N 2 2 332.231 1.474 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000583011336 448401662 /nfs/dbraw/zinc/40/16/62/448401662.db2.gz NLEKRYYATHMTGH-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000583011336 448401666 /nfs/dbraw/zinc/40/16/66/448401666.db2.gz NLEKRYYATHMTGH-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000533448377 448402735 /nfs/dbraw/zinc/40/27/35/448402735.db2.gz NXJOSMIEYXSSTQ-INMHGKMJSA-N 2 2 331.464 1.930 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000533448377 448402743 /nfs/dbraw/zinc/40/27/43/448402743.db2.gz NXJOSMIEYXSSTQ-INMHGKMJSA-N 2 2 331.464 1.930 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c2[nH+]ccn21 ZINC000527989693 448405594 /nfs/dbraw/zinc/40/55/94/448405594.db2.gz FGIXJYHKHKBYRG-CABCVRRESA-N 2 2 347.463 1.785 20 0 EDADLP COc1cc(C)nc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000533832332 448424660 /nfs/dbraw/zinc/42/46/60/448424660.db2.gz LFSBARMBKSBNIA-SFHVURJKSA-N 2 2 332.492 1.999 20 0 EDADLP COc1cc(C)nc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000533832332 448424664 /nfs/dbraw/zinc/42/46/64/448424664.db2.gz LFSBARMBKSBNIA-SFHVURJKSA-N 2 2 332.492 1.999 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000533832332 448424665 /nfs/dbraw/zinc/42/46/65/448424665.db2.gz LFSBARMBKSBNIA-SFHVURJKSA-N 2 2 332.492 1.999 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000572777196 448462816 /nfs/dbraw/zinc/46/28/16/448462816.db2.gz LJLPHUFFMGWHDB-LLVKDONJSA-N 2 2 333.404 1.222 20 0 EDADLP [NH3+][C@H](CC(=O)NCCc1cn2c([nH+]1)CCCC2)Cc1ccccc1 ZINC000516765580 448469782 /nfs/dbraw/zinc/46/97/82/448469782.db2.gz AZKUTQOFDVIPIU-INIZCTEOSA-N 2 2 326.444 1.838 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Cl)c4)o3)CCN2C1=O ZINC000572857021 448483851 /nfs/dbraw/zinc/48/38/51/448483851.db2.gz KZQWGVPCDFBXGP-ZIAGYGMSSA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)CCN2C1=O ZINC000572857021 448483858 /nfs/dbraw/zinc/48/38/58/448483858.db2.gz KZQWGVPCDFBXGP-ZIAGYGMSSA-N 2 2 346.818 1.739 20 0 EDADLP CCc1cnc(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000572870192 448486383 /nfs/dbraw/zinc/48/63/83/448486383.db2.gz FUDPPWBWNJSHHI-IHRRRGAJSA-N 2 2 327.494 1.308 20 0 EDADLP CC(C)c1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(C(C)(C)C)[nH+]1 ZINC000566488718 448490674 /nfs/dbraw/zinc/49/06/74/448490674.db2.gz ADNLLFZKDRLORC-CHWSQXEVSA-N 2 2 331.464 1.646 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000566444688 448473013 /nfs/dbraw/zinc/47/30/13/448473013.db2.gz JQWXSIFSCPMAOA-LBPRGKRZSA-N 2 2 329.404 1.727 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000566444688 448473019 /nfs/dbraw/zinc/47/30/19/448473019.db2.gz JQWXSIFSCPMAOA-LBPRGKRZSA-N 2 2 329.404 1.727 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000516934869 448502058 /nfs/dbraw/zinc/50/20/58/448502058.db2.gz AQZZUKSJCZGRJQ-NVXWUHKLSA-N 2 2 341.459 1.343 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000516934869 448502063 /nfs/dbraw/zinc/50/20/63/448502063.db2.gz AQZZUKSJCZGRJQ-NVXWUHKLSA-N 2 2 341.459 1.343 20 0 EDADLP C[C@H]1CC[N@H+](CCc2nnnn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000536607505 448533480 /nfs/dbraw/zinc/53/34/80/448533480.db2.gz YTFJQMOCUSVNJQ-DOTOQJQBSA-N 2 2 337.431 1.984 20 0 EDADLP C[C@H]1CC[N@@H+](CCc2nnnn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000536607505 448533487 /nfs/dbraw/zinc/53/34/87/448533487.db2.gz YTFJQMOCUSVNJQ-DOTOQJQBSA-N 2 2 337.431 1.984 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000578300017 448508623 /nfs/dbraw/zinc/50/86/23/448508623.db2.gz KQTPOBVGYVRDEU-INIZCTEOSA-N 2 2 331.464 1.645 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000578300017 448508632 /nfs/dbraw/zinc/50/86/32/448508632.db2.gz KQTPOBVGYVRDEU-INIZCTEOSA-N 2 2 331.464 1.645 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000573001199 448519743 /nfs/dbraw/zinc/51/97/43/448519743.db2.gz HGOOVGXHTGJTTD-LBPRGKRZSA-N 2 2 331.338 1.186 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000573001199 448519748 /nfs/dbraw/zinc/51/97/48/448519748.db2.gz HGOOVGXHTGJTTD-LBPRGKRZSA-N 2 2 331.338 1.186 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566854457 448572046 /nfs/dbraw/zinc/57/20/46/448572046.db2.gz PWQIOPCKNHBSJU-UONOGXRCSA-N 2 2 326.404 1.124 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000537980542 448577067 /nfs/dbraw/zinc/57/70/67/448577067.db2.gz CAFDKNHFXLNGMR-AYOQOUSVSA-N 2 2 333.476 1.669 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000537980542 448577069 /nfs/dbraw/zinc/57/70/69/448577069.db2.gz CAFDKNHFXLNGMR-AYOQOUSVSA-N 2 2 333.476 1.669 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000578405942 448535276 /nfs/dbraw/zinc/53/52/76/448535276.db2.gz ZADGLWJMOOKFSB-HNNXBMFYSA-N 2 2 334.464 2.440 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000566747474 448552073 /nfs/dbraw/zinc/55/20/73/448552073.db2.gz DFVYAPXMGWIUPI-ZBFHGGJFSA-N 2 2 332.448 1.445 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000578461839 448553122 /nfs/dbraw/zinc/55/31/22/448553122.db2.gz HOCATYMVCHCKJB-CQSZACIVSA-N 2 2 328.420 1.137 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000573383756 448613405 /nfs/dbraw/zinc/61/34/05/448613405.db2.gz FWYMLGVEIIIXDB-UHFFFAOYSA-N 2 2 342.447 1.239 20 0 EDADLP COc1ccc(-c2nc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)co2)cc1 ZINC000567124951 448618563 /nfs/dbraw/zinc/61/85/63/448618563.db2.gz XWVVESJEGOLFOW-ZBFHGGJFSA-N 2 2 342.399 1.094 20 0 EDADLP COc1ccc(-c2nc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)co2)cc1 ZINC000567124951 448618566 /nfs/dbraw/zinc/61/85/66/448618566.db2.gz XWVVESJEGOLFOW-ZBFHGGJFSA-N 2 2 342.399 1.094 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1OC(F)F ZINC000578639858 448600869 /nfs/dbraw/zinc/60/08/69/448600869.db2.gz HJERMXWWYNRRFV-CYBMUJFWSA-N 2 2 330.375 1.841 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1OC(F)F ZINC000578639858 448600872 /nfs/dbraw/zinc/60/08/72/448600872.db2.gz HJERMXWWYNRRFV-CYBMUJFWSA-N 2 2 330.375 1.841 20 0 EDADLP CCc1cc(NCc2cccnc2N2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000541089274 448667369 /nfs/dbraw/zinc/66/73/69/448667369.db2.gz BFLOOKNQFZLROH-UHFFFAOYSA-N 2 2 326.448 2.106 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000541266989 448670556 /nfs/dbraw/zinc/67/05/56/448670556.db2.gz OAKXLOSMJSPRKI-CQSZACIVSA-N 2 2 328.416 1.661 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000541543125 448679255 /nfs/dbraw/zinc/67/92/55/448679255.db2.gz VURFFZQRIUOELC-SFHVURJKSA-N 2 2 342.443 1.370 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000541543125 448679260 /nfs/dbraw/zinc/67/92/60/448679260.db2.gz VURFFZQRIUOELC-SFHVURJKSA-N 2 2 342.443 1.370 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000579332216 448767370 /nfs/dbraw/zinc/76/73/70/448767370.db2.gz ZABINIQJEKQGEA-OAHLLOKOSA-N 2 2 338.883 1.902 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000567684845 448738672 /nfs/dbraw/zinc/73/86/72/448738672.db2.gz PCSLDSZZTVOCTL-XPKDYRNWSA-N 2 2 334.416 1.227 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000567684845 448738677 /nfs/dbraw/zinc/73/86/77/448738677.db2.gz PCSLDSZZTVOCTL-XPKDYRNWSA-N 2 2 334.416 1.227 20 0 EDADLP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)CC(F)(F)F ZINC000519141540 448745925 /nfs/dbraw/zinc/74/59/25/448745925.db2.gz LGVRQQGTWZIBDL-OAHLLOKOSA-N 2 2 332.366 1.922 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)NCCCC[NH3+])c2cccs2)CC1 ZINC000574023819 448771481 /nfs/dbraw/zinc/77/14/81/448771481.db2.gz YUBFIHOGYAWMAY-AWEZNQCLSA-N 2 2 339.509 1.075 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519553322 448785366 /nfs/dbraw/zinc/78/53/66/448785366.db2.gz WCHAKHLTMZMKTF-KXBFYZLASA-N 2 2 344.459 1.476 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519553322 448785371 /nfs/dbraw/zinc/78/53/71/448785371.db2.gz WCHAKHLTMZMKTF-KXBFYZLASA-N 2 2 344.459 1.476 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000579439521 448792142 /nfs/dbraw/zinc/79/21/42/448792142.db2.gz OPMDIHQSBRLGLR-HUUCEWRRSA-N 2 2 335.452 1.346 20 0 EDADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586752803 448798622 /nfs/dbraw/zinc/79/86/22/448798622.db2.gz YLDWRAFRQLJONO-UHFFFAOYSA-N 2 2 342.447 1.999 20 0 EDADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586752803 448798627 /nfs/dbraw/zinc/79/86/27/448798627.db2.gz YLDWRAFRQLJONO-UHFFFAOYSA-N 2 2 342.447 1.999 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000519727708 448829490 /nfs/dbraw/zinc/82/94/90/448829490.db2.gz FTQFCHJVQSGSFV-CRAIPNDOSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000519727708 448829496 /nfs/dbraw/zinc/82/94/96/448829496.db2.gz FTQFCHJVQSGSFV-CRAIPNDOSA-N 2 2 326.444 1.989 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000529367181 448843256 /nfs/dbraw/zinc/84/32/56/448843256.db2.gz MWBMUEVNQCLUMM-AWEZNQCLSA-N 2 2 334.468 1.714 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000592479077 448854431 /nfs/dbraw/zinc/85/44/31/448854431.db2.gz PFTHCABNVQLJDT-GOEBONIOSA-N 2 2 330.432 1.799 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000592479077 448854432 /nfs/dbraw/zinc/85/44/32/448854432.db2.gz PFTHCABNVQLJDT-GOEBONIOSA-N 2 2 330.432 1.799 20 0 EDADLP CC[NH+]1CCC(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000574594329 448911707 /nfs/dbraw/zinc/91/17/07/448911707.db2.gz COBOIGNUYCBTHF-UHFFFAOYSA-N 2 2 328.420 1.932 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000568871286 448932727 /nfs/dbraw/zinc/93/27/27/448932727.db2.gz DVRODFYMGRNYCQ-QGZVFWFLSA-N 2 2 339.867 1.458 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000568871286 448932734 /nfs/dbraw/zinc/93/27/34/448932734.db2.gz DVRODFYMGRNYCQ-QGZVFWFLSA-N 2 2 339.867 1.458 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2cnn(C(C)C)c2n1 ZINC000569103044 448962361 /nfs/dbraw/zinc/96/23/61/448962361.db2.gz RIAHPKIUUHKHMP-CYBMUJFWSA-N 2 2 330.436 1.036 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2cnn(C(C)C)c2n1 ZINC000569103044 448962362 /nfs/dbraw/zinc/96/23/62/448962362.db2.gz RIAHPKIUUHKHMP-CYBMUJFWSA-N 2 2 330.436 1.036 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccc(-n2cccn2)c1 ZINC000521411064 448982441 /nfs/dbraw/zinc/98/24/41/448982441.db2.gz XNGAMZIZPRARJM-YOEHRIQHSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(-n2cccn2)c1 ZINC000521411064 448982444 /nfs/dbraw/zinc/98/24/44/448982444.db2.gz XNGAMZIZPRARJM-YOEHRIQHSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCOC3(CCCC3)C2)C[C@H](C)O1 ZINC000574983147 449004280 /nfs/dbraw/zinc/00/42/80/449004280.db2.gz ZVIDSAVRYFEEDE-VVLHAWIVSA-N 2 2 326.481 1.538 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCOC3(CCCC3)C2)C[C@H](C)O1 ZINC000574983147 449004290 /nfs/dbraw/zinc/00/42/90/449004290.db2.gz ZVIDSAVRYFEEDE-VVLHAWIVSA-N 2 2 326.481 1.538 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000575038257 449017952 /nfs/dbraw/zinc/01/79/52/449017952.db2.gz FAOKNRGUEIWQOS-OALUTQOASA-N 3 2 344.503 1.824 20 0 EDADLP CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000575038257 449017957 /nfs/dbraw/zinc/01/79/57/449017957.db2.gz FAOKNRGUEIWQOS-OALUTQOASA-N 2 2 344.503 1.824 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000569467089 449031571 /nfs/dbraw/zinc/03/15/71/449031571.db2.gz VBRYHOJSBHFQNF-UHFFFAOYSA-N 2 2 346.406 1.682 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)([NH+](C)C)C1 ZINC000522315416 449076792 /nfs/dbraw/zinc/07/67/92/449076792.db2.gz BSHPZEJFSVINMC-KDOFPFPSSA-N 2 2 342.447 1.903 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)[nH+]c2c1 ZINC000592958213 449080243 /nfs/dbraw/zinc/08/02/43/449080243.db2.gz WCHKCTMCJDFNQQ-ZDUSSCGKSA-N 2 2 338.415 1.605 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582241853 449045790 /nfs/dbraw/zinc/04/57/90/449045790.db2.gz MNOVDQWVTBOTGT-FZKQIMNGSA-N 2 2 330.432 1.188 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582241853 449045795 /nfs/dbraw/zinc/04/57/95/449045795.db2.gz MNOVDQWVTBOTGT-FZKQIMNGSA-N 2 2 330.432 1.188 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000593733312 449168267 /nfs/dbraw/zinc/16/82/67/449168267.db2.gz LHZKLKQPTSVYMV-CZUORRHYSA-N 2 2 333.432 1.861 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000593733312 449168271 /nfs/dbraw/zinc/16/82/71/449168271.db2.gz LHZKLKQPTSVYMV-CZUORRHYSA-N 2 2 333.432 1.861 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C[S@@](C)=O)c1 ZINC000597990234 449175370 /nfs/dbraw/zinc/17/53/70/449175370.db2.gz SOSJRUDTSADVDQ-HSZRJFAPSA-N 2 2 339.505 1.178 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C[S@@](C)=O)c1 ZINC000597990234 449175375 /nfs/dbraw/zinc/17/53/75/449175375.db2.gz SOSJRUDTSADVDQ-HSZRJFAPSA-N 2 2 339.505 1.178 20 0 EDADLP CCO[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604209089 449194242 /nfs/dbraw/zinc/19/42/42/449194242.db2.gz MBBWCHKFANFZFA-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP CCO[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604209089 449194249 /nfs/dbraw/zinc/19/42/49/449194249.db2.gz MBBWCHKFANFZFA-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@H]1CCCC[C@@H]1C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000600159370 449220455 /nfs/dbraw/zinc/22/04/55/449220455.db2.gz SIJZOTQXVXONAQ-ZWKOTPCHSA-N 2 2 339.524 1.925 20 0 EDADLP CC[C@H]1CCCC[C@@H]1C[N@@H+](CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000600159370 449220459 /nfs/dbraw/zinc/22/04/59/449220459.db2.gz SIJZOTQXVXONAQ-ZWKOTPCHSA-N 2 2 339.524 1.925 20 0 EDADLP Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C(F)F ZINC000602203026 449431433 /nfs/dbraw/zinc/43/14/33/449431433.db2.gz BAOKZWCUZMZCDP-NSHDSACASA-N 2 2 341.406 1.256 20 0 EDADLP Cn1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C(F)F ZINC000602203026 449431439 /nfs/dbraw/zinc/43/14/39/449431439.db2.gz BAOKZWCUZMZCDP-NSHDSACASA-N 2 2 341.406 1.256 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC[N@H+](C)C1 ZINC000602161582 449392736 /nfs/dbraw/zinc/39/27/36/449392736.db2.gz GXSXPHOZZOZNPB-HUUCEWRRSA-N 2 2 336.436 1.034 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC[N@@H+](C)C1 ZINC000602161582 449392740 /nfs/dbraw/zinc/39/27/40/449392740.db2.gz GXSXPHOZZOZNPB-HUUCEWRRSA-N 2 2 336.436 1.034 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2[nH+]1 ZINC000606570320 449487898 /nfs/dbraw/zinc/48/78/98/449487898.db2.gz LISHDRWJRLPBMW-INIZCTEOSA-N 2 2 343.431 1.971 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C3([NH+](C)C)CC3)n2)c1C ZINC000614190528 449496972 /nfs/dbraw/zinc/49/69/72/449496972.db2.gz ZLYHLTWHAWVFPH-UHFFFAOYSA-N 2 2 344.419 1.380 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2COC[C@H]2c2ccccc2)CC1 ZINC000611977716 449501702 /nfs/dbraw/zinc/50/17/02/449501702.db2.gz KIPSWQZZUBSLTI-OALUTQOASA-N 2 2 345.487 1.559 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000606703365 449512659 /nfs/dbraw/zinc/51/26/59/449512659.db2.gz SMPFXNCEYWZZMU-INIZCTEOSA-N 2 2 345.491 1.639 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)c1 ZINC000602470656 449616521 /nfs/dbraw/zinc/61/65/21/449616521.db2.gz BIGUGVYCIRKSSI-XMMPIXPASA-N 2 2 346.456 1.526 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C3([S@](C)=O)CC[NH2+]CC3)ccc2n1C ZINC000602487851 449627622 /nfs/dbraw/zinc/62/76/22/449627622.db2.gz VEQMERWDIVUXBU-QHCPKHFHSA-N 2 2 334.445 1.321 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000601007309 449649629 /nfs/dbraw/zinc/64/96/29/449649629.db2.gz CHPZIRNYJOGPEU-JKSUJKDBSA-N 2 2 331.464 1.663 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000601007309 449649634 /nfs/dbraw/zinc/64/96/34/449649634.db2.gz CHPZIRNYJOGPEU-JKSUJKDBSA-N 2 2 331.464 1.663 20 0 EDADLP CC[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000612403575 449680967 /nfs/dbraw/zinc/68/09/67/449680967.db2.gz OVQOQMQZQGXQON-MSOLQXFVSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000612403575 449680973 /nfs/dbraw/zinc/68/09/73/449680973.db2.gz OVQOQMQZQGXQON-MSOLQXFVSA-N 2 2 345.487 1.876 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000612464782 449721353 /nfs/dbraw/zinc/72/13/53/449721353.db2.gz GERGIKUFZOTZQM-KLHDSHLOSA-N 2 2 332.448 1.283 20 0 EDADLP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000602654339 449732528 /nfs/dbraw/zinc/73/25/28/449732528.db2.gz AIMVYKKTEBOISD-CQSZACIVSA-N 2 2 336.436 1.062 20 0 EDADLP COC(=O)c1cc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000602654339 449732530 /nfs/dbraw/zinc/73/25/30/449732530.db2.gz AIMVYKKTEBOISD-CQSZACIVSA-N 2 2 336.436 1.062 20 0 EDADLP COC(=O)c1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000602654339 449732535 /nfs/dbraw/zinc/73/25/35/449732535.db2.gz AIMVYKKTEBOISD-CQSZACIVSA-N 2 2 336.436 1.062 20 0 EDADLP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000602654339 449732538 /nfs/dbraw/zinc/73/25/38/449732538.db2.gz AIMVYKKTEBOISD-CQSZACIVSA-N 2 2 336.436 1.062 20 0 EDADLP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875720 449789794 /nfs/dbraw/zinc/78/97/94/449789794.db2.gz VWLGQJVCIOKXMZ-BNOWGMLFSA-N 2 2 327.388 1.041 20 0 EDADLP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875720 449789801 /nfs/dbraw/zinc/78/98/01/449789801.db2.gz VWLGQJVCIOKXMZ-BNOWGMLFSA-N 2 2 327.388 1.041 20 0 EDADLP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1 ZINC000601269170 449788088 /nfs/dbraw/zinc/78/80/88/449788088.db2.gz DFBNWWWMRUAZKS-FVRSWCFKSA-N 2 2 347.463 1.809 20 0 EDADLP CCOC(=O)C1(C)CC([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1 ZINC000601269171 449788630 /nfs/dbraw/zinc/78/86/30/449788630.db2.gz DFBNWWWMRUAZKS-TXKKKEFDSA-N 2 2 347.463 1.809 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnccc1C(F)(F)F ZINC000617763212 449823064 /nfs/dbraw/zinc/82/30/64/449823064.db2.gz JNLOOJWSEMRQJN-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnccc1C(F)(F)F ZINC000617763212 449823066 /nfs/dbraw/zinc/82/30/66/449823066.db2.gz JNLOOJWSEMRQJN-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000601318463 449827760 /nfs/dbraw/zinc/82/77/60/449827760.db2.gz PGCDJMWSLYKKPI-BZUAXINKSA-N 2 2 326.485 1.268 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000617767350 449831449 /nfs/dbraw/zinc/83/14/49/449831449.db2.gz QOHJLLJDEJOELO-UHFFFAOYSA-N 3 2 343.475 1.545 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000617767350 449831458 /nfs/dbraw/zinc/83/14/58/449831458.db2.gz QOHJLLJDEJOELO-UHFFFAOYSA-N 3 2 343.475 1.545 20 0 EDADLP CC1=NN(c2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2)CC1 ZINC000617767412 449831699 /nfs/dbraw/zinc/83/16/99/449831699.db2.gz TYQODIKZNBUNLA-UHFFFAOYSA-N 2 2 345.491 1.886 20 0 EDADLP CC1=NN(c2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2)CC1 ZINC000617767412 449831702 /nfs/dbraw/zinc/83/17/02/449831702.db2.gz TYQODIKZNBUNLA-UHFFFAOYSA-N 2 2 345.491 1.886 20 0 EDADLP COc1ccc(Cl)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768597 449834324 /nfs/dbraw/zinc/83/43/24/449834324.db2.gz LISAZLLOOMLZQE-UHFFFAOYSA-N 2 2 327.856 1.962 20 0 EDADLP COc1ccc(Cl)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768597 449834328 /nfs/dbraw/zinc/83/43/28/449834328.db2.gz LISAZLLOOMLZQE-UHFFFAOYSA-N 2 2 327.856 1.962 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000617733201 449795275 /nfs/dbraw/zinc/79/52/75/449795275.db2.gz OELBMRVQWCQYPY-ZACQAIPSSA-N 2 2 345.487 1.659 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000617733201 449795279 /nfs/dbraw/zinc/79/52/79/449795279.db2.gz OELBMRVQWCQYPY-ZACQAIPSSA-N 2 2 345.487 1.659 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000617733201 449795287 /nfs/dbraw/zinc/79/52/87/449795287.db2.gz OELBMRVQWCQYPY-ZACQAIPSSA-N 2 2 345.487 1.659 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000617733201 449795293 /nfs/dbraw/zinc/79/52/93/449795293.db2.gz OELBMRVQWCQYPY-ZACQAIPSSA-N 2 2 345.487 1.659 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000599283943 449858607 /nfs/dbraw/zinc/85/86/07/449858607.db2.gz ICGVOLBVQJVXOP-IAGOWNOFSA-N 2 2 326.481 1.889 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000599283943 449858615 /nfs/dbraw/zinc/85/86/15/449858615.db2.gz ICGVOLBVQJVXOP-IAGOWNOFSA-N 2 2 326.481 1.889 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000597223661 449882285 /nfs/dbraw/zinc/88/22/85/449882285.db2.gz SOPBZDNUOSXOCS-MRXNPFEDSA-N 2 2 336.407 1.955 20 0 EDADLP COC(=O)CCCc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)no1 ZINC000602876074 449884136 /nfs/dbraw/zinc/88/41/36/449884136.db2.gz DAUYRAVAXVLXAH-UHFFFAOYSA-N 2 2 336.436 1.483 20 0 EDADLP COC(=O)CCCc1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)no1 ZINC000602876074 449884142 /nfs/dbraw/zinc/88/41/42/449884142.db2.gz DAUYRAVAXVLXAH-UHFFFAOYSA-N 2 2 336.436 1.483 20 0 EDADLP COCCCN(C(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC[NH+](C)CC1 ZINC000615045567 449927772 /nfs/dbraw/zinc/92/77/72/449927772.db2.gz CAHLRSLXGWIFIL-AWEZNQCLSA-N 2 2 334.464 1.474 20 0 EDADLP COCCCN(C(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC[NH+](C)CC1 ZINC000615045567 449927779 /nfs/dbraw/zinc/92/77/79/449927779.db2.gz CAHLRSLXGWIFIL-AWEZNQCLSA-N 2 2 334.464 1.474 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000612865441 449916415 /nfs/dbraw/zinc/91/64/15/449916415.db2.gz QYQNFCWCRYVZQU-HBUWYVDXSA-N 2 2 347.463 1.246 20 0 EDADLP CN(C(=O)COc1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473617 449996747 /nfs/dbraw/zinc/99/67/47/449996747.db2.gz HCDXXLPHLMXACJ-MRXNPFEDSA-N 2 2 332.448 1.087 20 0 EDADLP CN(C(=O)COc1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473617 449996753 /nfs/dbraw/zinc/99/67/53/449996753.db2.gz HCDXXLPHLMXACJ-MRXNPFEDSA-N 2 2 332.448 1.087 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)CC1 ZINC000613209414 450081618 /nfs/dbraw/zinc/08/16/18/450081618.db2.gz WNSHVGTUKOIKDF-RDJZCZTQSA-N 2 2 345.491 1.517 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)CC1 ZINC000613209414 450081623 /nfs/dbraw/zinc/08/16/23/450081623.db2.gz WNSHVGTUKOIKDF-RDJZCZTQSA-N 2 2 345.491 1.517 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC000615609862 450166063 /nfs/dbraw/zinc/16/60/63/450166063.db2.gz SDPSRZJJWAUIKQ-SFHVURJKSA-N 2 2 325.416 1.825 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC000615609862 450166070 /nfs/dbraw/zinc/16/60/70/450166070.db2.gz SDPSRZJJWAUIKQ-SFHVURJKSA-N 2 2 325.416 1.825 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCOCC(F)(F)F ZINC000618401725 450194646 /nfs/dbraw/zinc/19/46/46/450194646.db2.gz MWDSTDMPJXCGOE-UHFFFAOYSA-N 2 2 339.402 1.440 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCOCC(F)(F)F ZINC000618401725 450194650 /nfs/dbraw/zinc/19/46/50/450194650.db2.gz MWDSTDMPJXCGOE-UHFFFAOYSA-N 2 2 339.402 1.440 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc(C(N)=O)cc3Cl)C2)CC1 ZINC000603395220 450279647 /nfs/dbraw/zinc/27/96/47/450279647.db2.gz WHTXIMPDFCWCIF-LBPRGKRZSA-N 2 2 337.855 1.414 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc(C(N)=O)cc3Cl)C2)CC1 ZINC000603395220 450279650 /nfs/dbraw/zinc/27/96/50/450279650.db2.gz WHTXIMPDFCWCIF-LBPRGKRZSA-N 2 2 337.855 1.414 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1[NH+]1CCCC1 ZINC000615791190 450240788 /nfs/dbraw/zinc/24/07/88/450240788.db2.gz MPWWYHMUBLMNST-SOUVJXGZSA-N 2 2 334.489 1.484 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619882798 450352607 /nfs/dbraw/zinc/35/26/07/450352607.db2.gz PODSUWNXPAULGF-MRXNPFEDSA-N 2 2 348.491 1.967 20 0 EDADLP C[NH+]1CCN(c2cccc(C(=O)Nc3ccc4[nH+]ccn4c3)n2)CC1 ZINC000620316720 450468538 /nfs/dbraw/zinc/46/85/38/450468538.db2.gz FYGCTNQWIMKCKU-UHFFFAOYSA-N 2 2 336.399 1.733 20 0 EDADLP C[C@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000620596407 450519129 /nfs/dbraw/zinc/51/91/29/450519129.db2.gz QEFDZDFLVMCEDM-DOTOQJQBSA-N 2 2 341.459 1.586 20 0 EDADLP C[C@@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)c1[nH+]ccn1C ZINC000620602883 450519927 /nfs/dbraw/zinc/51/99/27/450519927.db2.gz CLCZDPIQCNAXGU-CYBMUJFWSA-N 2 2 328.420 1.058 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623466844 450525791 /nfs/dbraw/zinc/52/57/91/450525791.db2.gz OGIQUSAPCXIFDD-BRWVUGGUSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623466844 450525792 /nfs/dbraw/zinc/52/57/92/450525792.db2.gz OGIQUSAPCXIFDD-BRWVUGGUSA-N 2 2 340.512 1.374 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000623519385 450536696 /nfs/dbraw/zinc/53/66/96/450536696.db2.gz KAJPSDGFNGOCGT-UHFFFAOYSA-N 2 2 342.443 1.853 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000623618303 450552945 /nfs/dbraw/zinc/55/29/45/450552945.db2.gz LXLQXHLLEFKEER-HNNXBMFYSA-N 2 2 341.402 1.760 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000623618303 450552947 /nfs/dbraw/zinc/55/29/47/450552947.db2.gz LXLQXHLLEFKEER-HNNXBMFYSA-N 2 2 341.402 1.760 20 0 EDADLP C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038904 450559197 /nfs/dbraw/zinc/55/91/97/450559197.db2.gz HHXLFDPAUZDZCN-KSZLIROESA-N 2 2 331.460 1.473 20 0 EDADLP C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038904 450559200 /nfs/dbraw/zinc/55/92/00/450559200.db2.gz HHXLFDPAUZDZCN-KSZLIROESA-N 2 2 331.460 1.473 20 0 EDADLP C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038904 450559203 /nfs/dbraw/zinc/55/92/03/450559203.db2.gz HHXLFDPAUZDZCN-KSZLIROESA-N 2 2 331.460 1.473 20 0 EDADLP C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038904 450559206 /nfs/dbraw/zinc/55/92/06/450559206.db2.gz HHXLFDPAUZDZCN-KSZLIROESA-N 2 2 331.460 1.473 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142385 450582245 /nfs/dbraw/zinc/58/22/45/450582245.db2.gz GHMFQTVMLKEAEK-UHFFFAOYSA-N 2 2 330.388 1.304 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142385 450582247 /nfs/dbraw/zinc/58/22/47/450582247.db2.gz GHMFQTVMLKEAEK-UHFFFAOYSA-N 2 2 330.388 1.304 20 0 EDADLP CC(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[NH2+]1 ZINC000621158371 450605578 /nfs/dbraw/zinc/60/55/78/450605578.db2.gz NZEGHRIJMPUPBP-GOSISDBHSA-N 2 2 326.444 1.930 20 0 EDADLP COC[C@]1(C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000626177145 450610461 /nfs/dbraw/zinc/61/04/61/450610461.db2.gz GQERJOPDVVYBBR-FQEVSTJZSA-N 2 2 347.503 1.936 20 0 EDADLP COC[C@]1(C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000626177145 450610467 /nfs/dbraw/zinc/61/04/67/450610467.db2.gz GQERJOPDVVYBBR-FQEVSTJZSA-N 2 2 347.503 1.936 20 0 EDADLP O[C@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000623838518 450610782 /nfs/dbraw/zinc/61/07/82/450610782.db2.gz ZWHXSHQAVPIAHT-SFHVURJKSA-N 2 2 337.895 1.961 20 0 EDADLP O[C@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000623838518 450610785 /nfs/dbraw/zinc/61/07/85/450610785.db2.gz ZWHXSHQAVPIAHT-SFHVURJKSA-N 2 2 337.895 1.961 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000635075699 450625985 /nfs/dbraw/zinc/62/59/85/450625985.db2.gz AYIXJMZYCJJISD-UHFFFAOYSA-N 2 2 332.448 1.089 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](OC)[C@H]2CCOC2)CC1 ZINC000626089587 450573306 /nfs/dbraw/zinc/57/33/06/450573306.db2.gz WNKUPDMCVBAUDV-IRXDYDNUSA-N 2 2 326.481 1.615 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[NH+](C)C)c1 ZINC000635137895 450683448 /nfs/dbraw/zinc/68/34/48/450683448.db2.gz RIUKNWRTJZQSKM-BFYDXBDKSA-N 2 2 328.416 1.941 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[NH+](C)C)c1 ZINC000635137895 450683453 /nfs/dbraw/zinc/68/34/53/450683453.db2.gz RIUKNWRTJZQSKM-BFYDXBDKSA-N 2 2 328.416 1.941 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2COCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000624074656 450695239 /nfs/dbraw/zinc/69/52/39/450695239.db2.gz JCMHJPZFFBUTRG-NXHRZFHOSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2COCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000624074656 450695244 /nfs/dbraw/zinc/69/52/44/450695244.db2.gz JCMHJPZFFBUTRG-NXHRZFHOSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000624074656 450695249 /nfs/dbraw/zinc/69/52/49/450695249.db2.gz JCMHJPZFFBUTRG-NXHRZFHOSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000624074656 450695252 /nfs/dbraw/zinc/69/52/52/450695252.db2.gz JCMHJPZFFBUTRG-NXHRZFHOSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624084812 450700643 /nfs/dbraw/zinc/70/06/43/450700643.db2.gz PMORPKPUQCZKLF-ZBFHGGJFSA-N 2 2 347.459 1.666 20 0 EDADLP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624084812 450700648 /nfs/dbraw/zinc/70/06/48/450700648.db2.gz PMORPKPUQCZKLF-ZBFHGGJFSA-N 2 2 347.459 1.666 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)CCC[NH+](C)C ZINC000631675741 450706515 /nfs/dbraw/zinc/70/65/15/450706515.db2.gz RNJJLFTYTSTDOA-UHFFFAOYSA-N 2 2 338.477 1.606 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000631678942 450710270 /nfs/dbraw/zinc/71/02/70/450710270.db2.gz PFYWJGGBYLSGKF-INIZCTEOSA-N 2 2 337.489 1.399 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000631678942 450710274 /nfs/dbraw/zinc/71/02/74/450710274.db2.gz PFYWJGGBYLSGKF-INIZCTEOSA-N 2 2 337.489 1.399 20 0 EDADLP O=S(=O)(CC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccn1 ZINC000629546792 450729319 /nfs/dbraw/zinc/72/93/19/450729319.db2.gz PUKQQFKGQAGCTM-MRXNPFEDSA-N 2 2 337.489 1.567 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000629525930 450725567 /nfs/dbraw/zinc/72/55/67/450725567.db2.gz GWJWTEHQCTZKJO-VBNZEHGJSA-N 2 2 325.478 1.728 20 0 EDADLP CN(C)[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000629554774 450733642 /nfs/dbraw/zinc/73/36/42/450733642.db2.gz BMNFJAIZLOVYFG-PBHICJAKSA-N 2 2 325.884 1.989 20 0 EDADLP C[NH+](C)[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)c1ccccc1Cl ZINC000629554774 450733643 /nfs/dbraw/zinc/73/36/43/450733643.db2.gz BMNFJAIZLOVYFG-PBHICJAKSA-N 2 2 325.884 1.989 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629563255 450737186 /nfs/dbraw/zinc/73/71/86/450737186.db2.gz DJHFDIRKNYLXBO-GXTWGEPZSA-N 2 2 347.356 1.901 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629563255 450737190 /nfs/dbraw/zinc/73/71/90/450737190.db2.gz DJHFDIRKNYLXBO-GXTWGEPZSA-N 2 2 347.356 1.901 20 0 EDADLP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000629566549 450739223 /nfs/dbraw/zinc/73/92/23/450739223.db2.gz ZOZVAFUIHHUMEO-QWRGUYRKSA-N 2 2 334.390 1.430 20 0 EDADLP CC(C)(C)n1nnc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000629566549 450739230 /nfs/dbraw/zinc/73/92/30/450739230.db2.gz ZOZVAFUIHHUMEO-QWRGUYRKSA-N 2 2 334.390 1.430 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743790 450744963 /nfs/dbraw/zinc/74/49/63/450744963.db2.gz BYJJBFALFBLEGJ-DXEWXGHRSA-N 2 2 341.521 1.452 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743790 450744966 /nfs/dbraw/zinc/74/49/66/450744966.db2.gz BYJJBFALFBLEGJ-DXEWXGHRSA-N 2 2 341.521 1.452 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000629605643 450760424 /nfs/dbraw/zinc/76/04/24/450760424.db2.gz LAYCNCPEXWOSQF-HOTGVXAUSA-N 2 2 339.867 1.173 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000629605643 450760428 /nfs/dbraw/zinc/76/04/28/450760428.db2.gz LAYCNCPEXWOSQF-HOTGVXAUSA-N 2 2 339.867 1.173 20 0 EDADLP C[NH+](C)CC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000635218095 450760713 /nfs/dbraw/zinc/76/07/13/450760713.db2.gz XDUDUABZRUGJRF-KRWDZBQOSA-N 2 2 331.460 1.518 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627478706 450764732 /nfs/dbraw/zinc/76/47/32/450764732.db2.gz QUZCCBQSCGGJMP-KKUMJFAQSA-N 2 2 347.463 1.213 20 0 EDADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C[NH2+]1 ZINC000629660227 450773462 /nfs/dbraw/zinc/77/34/62/450773462.db2.gz QGRKEFHJPKEGLA-RHSMWYFYSA-N 2 2 331.460 1.822 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccccc2OCC(F)(F)F)n1 ZINC000629652598 450770697 /nfs/dbraw/zinc/77/06/97/450770697.db2.gz JEAKDCSEWXPOEH-UHFFFAOYSA-N 2 2 342.321 1.872 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C)CC2 ZINC000627518412 450788184 /nfs/dbraw/zinc/78/81/84/450788184.db2.gz IEGCHRXMJUBOBR-PMPSAXMXSA-N 2 2 332.448 1.076 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)CC2 ZINC000627518412 450788190 /nfs/dbraw/zinc/78/81/90/450788190.db2.gz IEGCHRXMJUBOBR-PMPSAXMXSA-N 2 2 332.448 1.076 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@@H]3COCC[N@H+]3C)C2)cc1 ZINC000633370486 450823179 /nfs/dbraw/zinc/82/31/79/450823179.db2.gz DNSAMEOATYXWPC-QZTJIDSGSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@@H]3COCC[N@@H+]3C)C2)cc1 ZINC000633370486 450823182 /nfs/dbraw/zinc/82/31/82/450823182.db2.gz DNSAMEOATYXWPC-QZTJIDSGSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@H]3COCC[NH+]3C)C2)cc1 ZINC000633370486 450823184 /nfs/dbraw/zinc/82/31/84/450823184.db2.gz DNSAMEOATYXWPC-QZTJIDSGSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3COCC[NH+]3C)C2)cc1 ZINC000633370486 450823186 /nfs/dbraw/zinc/82/31/86/450823186.db2.gz DNSAMEOATYXWPC-QZTJIDSGSA-N 2 2 346.475 1.199 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1)c1ccc(F)cc1 ZINC000631866370 450835767 /nfs/dbraw/zinc/83/57/67/450835767.db2.gz OUXOZVZDOKTAAL-ZIAGYGMSSA-N 2 2 337.439 1.438 20 0 EDADLP CC(C)C[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000635277068 450805460 /nfs/dbraw/zinc/80/54/60/450805460.db2.gz GVPCLVRTHCLMNI-QGZVFWFLSA-N 2 2 335.496 1.614 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N[C@H]1CCOc2ccccc21 ZINC000631885591 450846174 /nfs/dbraw/zinc/84/61/74/450846174.db2.gz CHIJCWPERZJTNC-HYVNUMGLSA-N 2 2 329.444 1.700 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N[C@H]1CCOc2ccccc21 ZINC000631885591 450846176 /nfs/dbraw/zinc/84/61/76/450846176.db2.gz CHIJCWPERZJTNC-HYVNUMGLSA-N 2 2 329.444 1.700 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887336 450848575 /nfs/dbraw/zinc/84/85/75/450848575.db2.gz QKUBGVOZXRSINE-SJORKVTESA-N 2 2 331.460 1.428 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887336 450848581 /nfs/dbraw/zinc/84/85/81/450848581.db2.gz QKUBGVOZXRSINE-SJORKVTESA-N 2 2 331.460 1.428 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887735 450849057 /nfs/dbraw/zinc/84/90/57/450849057.db2.gz QDYPTKXYMMTHBS-MSOLQXFVSA-N 2 2 331.460 1.523 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887735 450849059 /nfs/dbraw/zinc/84/90/59/450849059.db2.gz QDYPTKXYMMTHBS-MSOLQXFVSA-N 2 2 331.460 1.523 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)c[nH+]2)CCO1 ZINC000635325253 450850641 /nfs/dbraw/zinc/85/06/41/450850641.db2.gz NCBHVIRDNMMGLM-LSDHHAIUSA-N 2 2 332.448 1.265 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)c[nH+]2)CCO1 ZINC000635325253 450850645 /nfs/dbraw/zinc/85/06/45/450850645.db2.gz NCBHVIRDNMMGLM-LSDHHAIUSA-N 2 2 332.448 1.265 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631890556 450852096 /nfs/dbraw/zinc/85/20/96/450852096.db2.gz QLSKPGJFDKLSAN-CRAIPNDOSA-N 2 2 349.500 1.701 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631890556 450852098 /nfs/dbraw/zinc/85/20/98/450852098.db2.gz QLSKPGJFDKLSAN-CRAIPNDOSA-N 2 2 349.500 1.701 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]c4cccnc34)C2)CC1 ZINC000621866291 450906575 /nfs/dbraw/zinc/90/65/75/450906575.db2.gz PWDGDGKERJKDRU-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]c4cccnc34)C2)CC1 ZINC000621866291 450906577 /nfs/dbraw/zinc/90/65/77/450906577.db2.gz PWDGDGKERJKDRU-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000624604931 450916478 /nfs/dbraw/zinc/91/64/78/450916478.db2.gz RASIOKWNIGEVSQ-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)CO1 ZINC000633616909 450945518 /nfs/dbraw/zinc/94/55/18/450945518.db2.gz HYLOXEFTDOLKCX-HOTGVXAUSA-N 2 2 342.443 1.640 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)CO1 ZINC000633616909 450945525 /nfs/dbraw/zinc/94/55/25/450945525.db2.gz HYLOXEFTDOLKCX-HOTGVXAUSA-N 2 2 342.443 1.640 20 0 EDADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000635444075 450945895 /nfs/dbraw/zinc/94/58/95/450945895.db2.gz MMUNRJNQWSUACK-CQSZACIVSA-N 2 2 332.448 1.353 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccccc2OCC[NH+](C)C)[nH+]1 ZINC000635450939 450950012 /nfs/dbraw/zinc/95/00/12/450950012.db2.gz MQFPXRIGSFRMKI-UHFFFAOYSA-N 2 2 330.432 1.771 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+](C[C@@H]3CCCO3)CC1)CC2 ZINC000624765167 450985793 /nfs/dbraw/zinc/98/57/93/450985793.db2.gz PCEONGVUMQDZKM-SJORKVTESA-N 2 2 346.475 1.467 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+](C[C@@H]3CCCO3)CC1)CC2 ZINC000624765167 450985796 /nfs/dbraw/zinc/98/57/96/450985796.db2.gz PCEONGVUMQDZKM-SJORKVTESA-N 2 2 346.475 1.467 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501748 450996437 /nfs/dbraw/zinc/99/64/37/450996437.db2.gz RTZHEBTYVJDNKN-QWHCGFSZSA-N 2 2 348.369 1.604 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501748 450996443 /nfs/dbraw/zinc/99/64/43/450996443.db2.gz RTZHEBTYVJDNKN-QWHCGFSZSA-N 2 2 348.369 1.604 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000635549821 451044805 /nfs/dbraw/zinc/04/48/05/451044805.db2.gz QKCIBQFKRNWULL-RTBURBONSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000635549821 451044809 /nfs/dbraw/zinc/04/48/09/451044809.db2.gz QKCIBQFKRNWULL-RTBURBONSA-N 2 2 343.471 1.822 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000626943311 451022684 /nfs/dbraw/zinc/02/26/84/451022684.db2.gz ATPOWSQACWQUEC-SJORKVTESA-N 2 2 332.448 1.029 20 0 EDADLP CC(C)(CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+]1CCOCC1 ZINC000635527410 451024319 /nfs/dbraw/zinc/02/43/19/451024319.db2.gz RDGXXBSVPNPNLS-CQSZACIVSA-N 2 2 326.485 1.175 20 0 EDADLP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000627930353 451028086 /nfs/dbraw/zinc/02/80/86/451028086.db2.gz CLQACLYPSYQQPF-ACBHZAAOSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000627930353 451028091 /nfs/dbraw/zinc/02/80/91/451028091.db2.gz CLQACLYPSYQQPF-ACBHZAAOSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000627930111 451028187 /nfs/dbraw/zinc/02/81/87/451028187.db2.gz QIRPAIVLEHJBLE-UHFFFAOYSA-N 2 2 340.427 1.524 20 0 EDADLP CCC(C)(C)CS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000624874921 451041426 /nfs/dbraw/zinc/04/14/26/451041426.db2.gz TWIFQAHPOAJNJY-UHFFFAOYSA-N 2 2 333.542 1.710 20 0 EDADLP CCC(C)(C)CS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000624874921 451041432 /nfs/dbraw/zinc/04/14/32/451041432.db2.gz TWIFQAHPOAJNJY-UHFFFAOYSA-N 2 2 333.542 1.710 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000632145209 451070444 /nfs/dbraw/zinc/07/04/44/451070444.db2.gz YKOQBIRUFZAHOV-UHFFFAOYSA-N 2 2 342.443 1.996 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000632145209 451070451 /nfs/dbraw/zinc/07/04/51/451070451.db2.gz YKOQBIRUFZAHOV-UHFFFAOYSA-N 2 2 342.443 1.996 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+]3C3CCCC3)C2)CC1 ZINC000635551587 451048089 /nfs/dbraw/zinc/04/80/89/451048089.db2.gz NWFKCYXGXXDGQG-YJBOKZPZSA-N 3 2 334.508 1.288 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+]3C3CCCC3)C2)CC1 ZINC000635551587 451048095 /nfs/dbraw/zinc/04/80/95/451048095.db2.gz NWFKCYXGXXDGQG-YJBOKZPZSA-N 3 2 334.508 1.288 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000635551587 451048100 /nfs/dbraw/zinc/04/81/00/451048100.db2.gz NWFKCYXGXXDGQG-YJBOKZPZSA-N 3 2 334.508 1.288 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000635551587 451048108 /nfs/dbraw/zinc/04/81/08/451048108.db2.gz NWFKCYXGXXDGQG-YJBOKZPZSA-N 3 2 334.508 1.288 20 0 EDADLP Cc1cn2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc2n1 ZINC000635552806 451049703 /nfs/dbraw/zinc/04/97/03/451049703.db2.gz YRLCZYCSENRDMX-INIZCTEOSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1cn2ccc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc2n1 ZINC000635552806 451049708 /nfs/dbraw/zinc/04/97/08/451049708.db2.gz YRLCZYCSENRDMX-INIZCTEOSA-N 2 2 341.459 1.541 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000635552819 451050169 /nfs/dbraw/zinc/05/01/69/451050169.db2.gz YVKCBENXHVBVKO-KRWDZBQOSA-N 2 2 349.500 1.435 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000635552819 451050171 /nfs/dbraw/zinc/05/01/71/451050171.db2.gz YVKCBENXHVBVKO-KRWDZBQOSA-N 2 2 349.500 1.435 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2csnn2)cc1 ZINC000628061928 451113517 /nfs/dbraw/zinc/11/35/17/451113517.db2.gz SXSHVIKEKJLWQN-UHFFFAOYSA-N 2 2 347.488 1.818 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2csnn2)cc1 ZINC000628061928 451113522 /nfs/dbraw/zinc/11/35/22/451113522.db2.gz SXSHVIKEKJLWQN-UHFFFAOYSA-N 2 2 347.488 1.818 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000627080324 451114025 /nfs/dbraw/zinc/11/40/25/451114025.db2.gz PJQVIDSYRSJCID-CQSZACIVSA-N 2 2 336.484 2.137 20 0 EDADLP CCc1c[nH]c(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000635690786 451173095 /nfs/dbraw/zinc/17/30/95/451173095.db2.gz UDVFINQPYORLIJ-QGZVFWFLSA-N 2 2 342.443 1.050 20 0 EDADLP CCc1c[nH]c(CC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000635690786 451173100 /nfs/dbraw/zinc/17/31/00/451173100.db2.gz UDVFINQPYORLIJ-QGZVFWFLSA-N 2 2 342.443 1.050 20 0 EDADLP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000628233881 451189786 /nfs/dbraw/zinc/18/97/86/451189786.db2.gz ZQPHSCAZRLMKBS-KZNAEPCWSA-N 2 2 337.508 1.726 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)cc1 ZINC000635712974 451192089 /nfs/dbraw/zinc/19/20/89/451192089.db2.gz WVHRBIQPBZNAQC-OLMNPRSZSA-N 2 2 347.459 1.105 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)cc1 ZINC000635712974 451192092 /nfs/dbraw/zinc/19/20/92/451192092.db2.gz WVHRBIQPBZNAQC-OLMNPRSZSA-N 2 2 347.459 1.105 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000635712974 451192097 /nfs/dbraw/zinc/19/20/97/451192097.db2.gz WVHRBIQPBZNAQC-OLMNPRSZSA-N 2 2 347.459 1.105 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000635712974 451192100 /nfs/dbraw/zinc/19/21/00/451192100.db2.gz WVHRBIQPBZNAQC-OLMNPRSZSA-N 2 2 347.459 1.105 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H](O)C3CCCCC3)c2)CC1 ZINC000634194323 451231427 /nfs/dbraw/zinc/23/14/27/451231427.db2.gz STBUKBBVVMASDH-QGZVFWFLSA-N 2 2 332.448 1.713 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)cc1 ZINC000635758128 451223225 /nfs/dbraw/zinc/22/32/25/451223225.db2.gz XMQFHXRQZXOCHH-RVKKMQEKSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)cc1 ZINC000635758128 451223229 /nfs/dbraw/zinc/22/32/29/451223229.db2.gz XMQFHXRQZXOCHH-RVKKMQEKSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000635758128 451223230 /nfs/dbraw/zinc/22/32/30/451223230.db2.gz XMQFHXRQZXOCHH-RVKKMQEKSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000635758128 451223234 /nfs/dbraw/zinc/22/32/34/451223234.db2.gz XMQFHXRQZXOCHH-RVKKMQEKSA-N 2 2 331.460 1.821 20 0 EDADLP C[N@H+](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1)[C@@H]1CCSC1 ZINC000634196133 451233652 /nfs/dbraw/zinc/23/36/52/451233652.db2.gz MKEMECSIHZRGKN-OAHLLOKOSA-N 2 2 349.504 1.209 20 0 EDADLP C[N@@H+](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1)[C@@H]1CCSC1 ZINC000634196133 451233656 /nfs/dbraw/zinc/23/36/56/451233656.db2.gz MKEMECSIHZRGKN-OAHLLOKOSA-N 2 2 349.504 1.209 20 0 EDADLP C[N@H+](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@@H]1CCSC1 ZINC000634196133 451233661 /nfs/dbraw/zinc/23/36/61/451233661.db2.gz MKEMECSIHZRGKN-OAHLLOKOSA-N 3 2 349.504 1.209 20 0 EDADLP C[N@@H+](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@@H]1CCSC1 ZINC000634196133 451233665 /nfs/dbraw/zinc/23/36/65/451233665.db2.gz MKEMECSIHZRGKN-OAHLLOKOSA-N 3 2 349.504 1.209 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NCC(C)(C)C)CC2)CC1 ZINC000625276550 451254615 /nfs/dbraw/zinc/25/46/15/451254615.db2.gz NRDWVESNPPOKJX-UHFFFAOYSA-N 2 2 338.540 1.639 20 0 EDADLP CCC(CC)[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+]1CCCC1 ZINC000636524495 451266268 /nfs/dbraw/zinc/26/62/68/451266268.db2.gz OVGLBRXUURDJFB-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CCC(CC)[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+]1CCCC1 ZINC000636524495 451266271 /nfs/dbraw/zinc/26/62/71/451266271.db2.gz OVGLBRXUURDJFB-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nsc2ccccc21 ZINC000640336999 451269142 /nfs/dbraw/zinc/26/91/42/451269142.db2.gz DINVZAZJUDJSHN-UHFFFAOYSA-N 2 2 335.477 2.301 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nsc2ccccc21 ZINC000640336999 451269146 /nfs/dbraw/zinc/26/91/46/451269146.db2.gz DINVZAZJUDJSHN-UHFFFAOYSA-N 2 2 335.477 2.301 20 0 EDADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc(C)n1 ZINC000640409568 451300357 /nfs/dbraw/zinc/30/03/57/451300357.db2.gz VIAVRERUZQFIHR-UHFFFAOYSA-N 2 2 334.468 1.583 20 0 EDADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc(C)n1 ZINC000640409568 451300361 /nfs/dbraw/zinc/30/03/61/451300361.db2.gz VIAVRERUZQFIHR-UHFFFAOYSA-N 2 2 334.468 1.583 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)cc2[nH+]1 ZINC000635864815 451311100 /nfs/dbraw/zinc/31/11/00/451311100.db2.gz LRLICKMQNCBKSN-HNNXBMFYSA-N 2 2 342.443 1.968 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)cc2[nH+]1 ZINC000635864815 451311103 /nfs/dbraw/zinc/31/11/03/451311103.db2.gz LRLICKMQNCBKSN-HNNXBMFYSA-N 2 2 342.443 1.968 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000638139216 451314967 /nfs/dbraw/zinc/31/49/67/451314967.db2.gz KFSVWOMQAGEZPY-UWWQBHOKSA-N 2 2 332.448 1.054 20 0 EDADLP CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638161256 451329286 /nfs/dbraw/zinc/32/92/86/451329286.db2.gz ALWGDEAMXHNXPP-INIZCTEOSA-N 2 2 349.475 1.212 20 0 EDADLP CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638161256 451329292 /nfs/dbraw/zinc/32/92/92/451329292.db2.gz ALWGDEAMXHNXPP-INIZCTEOSA-N 2 2 349.475 1.212 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[NH+](C)C)cc1 ZINC000636593222 451333284 /nfs/dbraw/zinc/33/32/84/451333284.db2.gz FQPIEMWTNPECRB-HNNXBMFYSA-N 2 2 343.431 1.096 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000635919295 451365218 /nfs/dbraw/zinc/36/52/18/451365218.db2.gz OQFSPQZSDCBYKX-CRAIPNDOSA-N 2 2 331.460 1.822 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000635919295 451365222 /nfs/dbraw/zinc/36/52/22/451365222.db2.gz OQFSPQZSDCBYKX-CRAIPNDOSA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000635919295 451365225 /nfs/dbraw/zinc/36/52/25/451365225.db2.gz OQFSPQZSDCBYKX-CRAIPNDOSA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000635919295 451365227 /nfs/dbraw/zinc/36/52/27/451365227.db2.gz OQFSPQZSDCBYKX-CRAIPNDOSA-N 2 2 331.460 1.822 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629148 451366507 /nfs/dbraw/zinc/36/65/07/451366507.db2.gz GTECOSRSPAOVPU-KFWWJZLASA-N 2 2 333.480 1.864 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632548172 451389659 /nfs/dbraw/zinc/38/96/59/451389659.db2.gz GBAQFTKSYMHXTD-STQMWFEESA-N 2 2 341.468 1.223 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)C[C@@H]1CCC1(F)F ZINC000632548172 451389664 /nfs/dbraw/zinc/38/96/64/451389664.db2.gz GBAQFTKSYMHXTD-STQMWFEESA-N 2 2 341.468 1.223 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)CCC[N@H+](C)Cc2ccncc2)[nH+]1 ZINC000635935026 451378199 /nfs/dbraw/zinc/37/81/99/451378199.db2.gz YMIPQQICYSRPJD-UHFFFAOYSA-N 2 2 329.448 1.890 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)[nH+]1 ZINC000635935026 451378203 /nfs/dbraw/zinc/37/82/03/451378203.db2.gz YMIPQQICYSRPJD-UHFFFAOYSA-N 2 2 329.448 1.890 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2[nH+]1 ZINC000638260611 451385570 /nfs/dbraw/zinc/38/55/70/451385570.db2.gz ZBMZFFQIVSXKJL-WBVHZDCISA-N 2 2 328.416 1.611 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000628746510 451395130 /nfs/dbraw/zinc/39/51/30/451395130.db2.gz CVDUCPLKQISSMA-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000628746510 451395132 /nfs/dbraw/zinc/39/51/32/451395132.db2.gz CVDUCPLKQISSMA-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000628753717 451398893 /nfs/dbraw/zinc/39/88/93/451398893.db2.gz YWPPTHUJYSQEDF-QGZVFWFLSA-N 2 2 345.491 1.052 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000628753717 451398898 /nfs/dbraw/zinc/39/88/98/451398898.db2.gz YWPPTHUJYSQEDF-QGZVFWFLSA-N 2 2 345.491 1.052 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C[NH3+])nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000638299350 451414279 /nfs/dbraw/zinc/41/42/79/451414279.db2.gz WRNCUEPSVZOLFX-GDBMZVCRSA-N 2 2 347.369 1.389 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)c2cnc(C[NH3+])nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000638299350 451414285 /nfs/dbraw/zinc/41/42/85/451414285.db2.gz WRNCUEPSVZOLFX-GDBMZVCRSA-N 2 2 347.369 1.389 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000628913832 451472916 /nfs/dbraw/zinc/47/29/16/451472916.db2.gz DTILBRHJSVPRJS-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000628913832 451472921 /nfs/dbraw/zinc/47/29/21/451472921.db2.gz DTILBRHJSVPRJS-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ncccn3)C2)CC[N@@H+]1C ZINC000632636548 451477012 /nfs/dbraw/zinc/47/70/12/451477012.db2.gz RHOIOVSHKXUTQV-HRCADAONSA-N 2 2 331.464 1.240 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ncccn3)C2)CC[N@H+]1C ZINC000632636548 451477019 /nfs/dbraw/zinc/47/70/19/451477019.db2.gz RHOIOVSHKXUTQV-HRCADAONSA-N 2 2 331.464 1.240 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)CC[NH+]1C ZINC000632636548 451477023 /nfs/dbraw/zinc/47/70/23/451477023.db2.gz RHOIOVSHKXUTQV-HRCADAONSA-N 2 2 331.464 1.240 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)CC[NH+]1C ZINC000632636548 451477026 /nfs/dbraw/zinc/47/70/26/451477026.db2.gz RHOIOVSHKXUTQV-HRCADAONSA-N 2 2 331.464 1.240 20 0 EDADLP Cc1cc(C[C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000634708204 451486984 /nfs/dbraw/zinc/48/69/84/451486984.db2.gz RHJALOGSWNPGDI-KXBFYZLASA-N 2 2 328.460 1.876 20 0 EDADLP Cc1cc(C[C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000634708204 451486988 /nfs/dbraw/zinc/48/69/88/451486988.db2.gz RHJALOGSWNPGDI-KXBFYZLASA-N 2 2 328.460 1.876 20 0 EDADLP Cc1cc(C[C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000634708204 451486995 /nfs/dbraw/zinc/48/69/95/451486995.db2.gz RHJALOGSWNPGDI-KXBFYZLASA-N 2 2 328.460 1.876 20 0 EDADLP Cc1cc(C[C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000634708204 451486998 /nfs/dbraw/zinc/48/69/98/451486998.db2.gz RHJALOGSWNPGDI-KXBFYZLASA-N 2 2 328.460 1.876 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)cc2[nH+]1 ZINC000638339818 451444258 /nfs/dbraw/zinc/44/42/58/451444258.db2.gz HLAGYBGRUZVBQT-HNNXBMFYSA-N 2 2 339.403 1.170 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1nnc2n1CCCCC2 ZINC000638342123 451446233 /nfs/dbraw/zinc/44/62/33/451446233.db2.gz BAMXGFZWNDYFBJ-AWEZNQCLSA-N 2 2 335.496 1.890 20 0 EDADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000634721170 451501537 /nfs/dbraw/zinc/50/15/37/451501537.db2.gz USBAAVUWIMEHDZ-XHSDSOJGSA-N 2 2 346.393 1.915 20 0 EDADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000634721170 451501539 /nfs/dbraw/zinc/50/15/39/451501539.db2.gz USBAAVUWIMEHDZ-XHSDSOJGSA-N 2 2 346.393 1.915 20 0 EDADLP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000634723685 451504530 /nfs/dbraw/zinc/50/45/30/451504530.db2.gz BCBAXOTWOHDFQU-CABCVRRESA-N 2 2 332.366 1.785 20 0 EDADLP CN(Cc1ccns1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636790601 451510970 /nfs/dbraw/zinc/51/09/70/451510970.db2.gz QCXBSCOCCYQDCD-CYBMUJFWSA-N 2 2 337.493 1.453 20 0 EDADLP CN(Cc1ccns1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636790601 451510975 /nfs/dbraw/zinc/51/09/75/451510975.db2.gz QCXBSCOCCYQDCD-CYBMUJFWSA-N 2 2 337.493 1.453 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c1 ZINC000638435634 451514882 /nfs/dbraw/zinc/51/48/82/451514882.db2.gz DQDVLSUOVIGQDU-HOTGVXAUSA-N 2 2 342.443 1.908 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)n1cc[nH+]c1 ZINC000636109892 451521878 /nfs/dbraw/zinc/52/18/78/451521878.db2.gz JBUXEJQOYWKLQJ-INIZCTEOSA-N 2 2 334.464 1.794 20 0 EDADLP CN1CCCC[C@H]([N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000634745335 451522355 /nfs/dbraw/zinc/52/23/55/451522355.db2.gz DGAGDBDIPWRHMY-ICSRJNTNSA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@H]([N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000634745335 451522357 /nfs/dbraw/zinc/52/23/57/451522357.db2.gz DGAGDBDIPWRHMY-ICSRJNTNSA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@H]([NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000634745335 451522359 /nfs/dbraw/zinc/52/23/59/451522359.db2.gz DGAGDBDIPWRHMY-ICSRJNTNSA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@H]([NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000634745335 451522360 /nfs/dbraw/zinc/52/23/60/451522360.db2.gz DGAGDBDIPWRHMY-ICSRJNTNSA-N 2 2 345.487 1.566 20 0 EDADLP c1cnn(C2CC([NH2+]CCC[NH+]3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000638462145 451527556 /nfs/dbraw/zinc/52/75/56/451527556.db2.gz JEXYZVUKOGGJHN-UHFFFAOYSA-N 3 2 340.475 1.784 20 0 EDADLP c1c(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)nnn1C[C@@H]1CCOC1 ZINC000631051317 451554692 /nfs/dbraw/zinc/55/46/92/451554692.db2.gz DUBBQHPCSCIOSF-AWEZNQCLSA-N 2 2 340.431 1.913 20 0 EDADLP CNC(=O)CCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631054326 451557673 /nfs/dbraw/zinc/55/76/73/451557673.db2.gz VDNWIWQJJDRXTG-UHFFFAOYSA-N 2 2 335.448 1.013 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)[C@H]1CC[NH3+] ZINC000634812044 451566482 /nfs/dbraw/zinc/56/64/82/451566482.db2.gz YIJBIHROCJYZOC-OAGGEKHMSA-N 2 2 333.480 1.782 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)[C@H]1CC[NH3+] ZINC000634812044 451566486 /nfs/dbraw/zinc/56/64/86/451566486.db2.gz YIJBIHROCJYZOC-OAGGEKHMSA-N 2 2 333.480 1.782 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000632773864 451572548 /nfs/dbraw/zinc/57/25/48/451572548.db2.gz WTTXWZWFOZWWEG-IBGZPJMESA-N 2 2 342.443 1.330 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1C(F)(F)F ZINC000638557248 451575623 /nfs/dbraw/zinc/57/56/23/451575623.db2.gz HPFVEOGGBWBTEE-AAEUAGOBSA-N 2 2 344.381 1.748 20 0 EDADLP COC[C@]1(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CCCC[NH2+]1 ZINC000638584753 451590664 /nfs/dbraw/zinc/59/06/64/451590664.db2.gz PBMZTIFRPCCIAR-SFHVURJKSA-N 2 2 349.479 1.595 20 0 EDADLP COc1cc(F)cc(OC)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000631180239 451628866 /nfs/dbraw/zinc/62/88/66/451628866.db2.gz BIOWABDRRYGTHT-AWEZNQCLSA-N 2 2 339.411 1.272 20 0 EDADLP COc1cc(F)cc(OC)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000631180239 451628870 /nfs/dbraw/zinc/62/88/70/451628870.db2.gz BIOWABDRRYGTHT-AWEZNQCLSA-N 2 2 339.411 1.272 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C34CCC[NH+](CCC3)C4)c2)CC1 ZINC000636310715 451673123 /nfs/dbraw/zinc/67/31/23/451673123.db2.gz AUEVMTXGUZNPAJ-UHFFFAOYSA-N 3 2 343.475 1.648 20 0 EDADLP C[NH+]1CCN(c2ccnc(NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)c2)CC1 ZINC000636313391 451675586 /nfs/dbraw/zinc/67/55/86/451675586.db2.gz UJZDCUXAYCGVGE-QGZVFWFLSA-N 2 2 343.475 1.789 20 0 EDADLP C[NH+]1CCN(c2ccnc(NC(=O)[C@H]3CC[N@H+]3C3CCCC3)c2)CC1 ZINC000636313391 451675589 /nfs/dbraw/zinc/67/55/89/451675589.db2.gz UJZDCUXAYCGVGE-QGZVFWFLSA-N 2 2 343.475 1.789 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)c2)CC1 ZINC000636313391 451675590 /nfs/dbraw/zinc/67/55/90/451675590.db2.gz UJZDCUXAYCGVGE-QGZVFWFLSA-N 3 2 343.475 1.789 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CC[N@H+]3C3CCCC3)c2)CC1 ZINC000636313391 451675594 /nfs/dbraw/zinc/67/55/94/451675594.db2.gz UJZDCUXAYCGVGE-QGZVFWFLSA-N 3 2 343.475 1.789 20 0 EDADLP FC(F)(F)CC[NH+]1CCC([NH2+]C2CN(c3ccncn3)C2)CC1 ZINC000631257135 451666772 /nfs/dbraw/zinc/66/67/72/451666772.db2.gz OBSJKSJMJDLPFR-UHFFFAOYSA-N 2 2 329.370 1.672 20 0 EDADLP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638924863 451736972 /nfs/dbraw/zinc/73/69/72/451736972.db2.gz HGNJQUJQJQDBTF-BHYGNILZSA-N 2 2 346.450 1.299 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000637147289 451740607 /nfs/dbraw/zinc/74/06/07/451740607.db2.gz IUSVBBNOXTZGFX-HNNXBMFYSA-N 2 2 343.475 1.945 20 0 EDADLP COc1ncc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000638980110 451744813 /nfs/dbraw/zinc/74/48/13/451744813.db2.gz JZWGEPAOTHHUGK-GFCCVEGCSA-N 2 2 335.433 1.166 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1=O ZINC000638980880 451745169 /nfs/dbraw/zinc/74/51/69/451745169.db2.gz OMARZCGFLUGJFF-MRXNPFEDSA-N 2 2 328.416 1.193 20 0 EDADLP COc1cc(C)cnc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983669 451746124 /nfs/dbraw/zinc/74/61/24/451746124.db2.gz LFYHKTXWJKXGSO-UHFFFAOYSA-N 2 2 327.388 1.456 20 0 EDADLP CCn1ncc(Cl)c1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985747 451746214 /nfs/dbraw/zinc/74/62/14/451746214.db2.gz NOCDVMNLEJFBFK-UHFFFAOYSA-N 2 2 334.811 1.613 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000638987548 451748104 /nfs/dbraw/zinc/74/81/04/451748104.db2.gz UXOFWHFPQBFKIO-KRWDZBQOSA-N 3 2 337.427 1.144 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638988636 451748656 /nfs/dbraw/zinc/74/86/56/451748656.db2.gz AWYHASXWLGBTAT-UHFFFAOYSA-N 2 2 329.429 1.372 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000639004657 451751336 /nfs/dbraw/zinc/75/13/36/451751336.db2.gz QROCMWUCKNBNEL-SFHVURJKSA-N 2 2 339.443 1.172 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)Cn3cc(CC[NH+](C)C)nn3)c2cc1C ZINC000641214376 451783865 /nfs/dbraw/zinc/78/38/65/451783865.db2.gz UGUUYLXWPKBRTI-INIZCTEOSA-N 2 2 342.447 1.410 20 0 EDADLP C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H](C)[N@H+]1C ZINC000639209059 451792028 /nfs/dbraw/zinc/79/20/28/451792028.db2.gz LLGRNTYTCVHIOP-HDICACEKSA-N 2 2 347.503 1.922 20 0 EDADLP C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H](C)[N@@H+]1C ZINC000639209059 451792029 /nfs/dbraw/zinc/79/20/29/451792029.db2.gz LLGRNTYTCVHIOP-HDICACEKSA-N 2 2 347.503 1.922 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639348042 451839676 /nfs/dbraw/zinc/83/96/76/451839676.db2.gz CTFIENNPBOGNCN-AEFFLSMTSA-N 2 2 330.476 1.442 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639348042 451839680 /nfs/dbraw/zinc/83/96/80/451839680.db2.gz CTFIENNPBOGNCN-AEFFLSMTSA-N 2 2 330.476 1.442 20 0 EDADLP C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639274065 451802219 /nfs/dbraw/zinc/80/22/19/451802219.db2.gz OLZISEXYIZYBDY-MJGOQNOKSA-N 2 2 348.487 1.848 20 0 EDADLP C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639274065 451802221 /nfs/dbraw/zinc/80/22/21/451802221.db2.gz OLZISEXYIZYBDY-MJGOQNOKSA-N 2 2 348.487 1.848 20 0 EDADLP Cn1cc(CCC[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000639326888 451827774 /nfs/dbraw/zinc/82/77/74/451827774.db2.gz IJPIRICSRBGXJZ-HXUWFJFHSA-N 2 2 341.503 1.759 20 0 EDADLP Cn1cc(CCC[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000639326888 451827779 /nfs/dbraw/zinc/82/77/79/451827779.db2.gz IJPIRICSRBGXJZ-HXUWFJFHSA-N 2 2 341.503 1.759 20 0 EDADLP Cc1cc(NCCNC(=O)N(C)Cc2[nH]cc[nH+]2)nc(C(C)C)[nH+]1 ZINC000637412533 451841676 /nfs/dbraw/zinc/84/16/76/451841676.db2.gz HZZBQOKDMMZAGU-UHFFFAOYSA-N 2 2 331.424 1.885 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000644548679 451855458 /nfs/dbraw/zinc/85/54/58/451855458.db2.gz HGQAUEAHFXYLRS-HZSPNIEDSA-N 2 2 344.402 1.403 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000644548679 451855463 /nfs/dbraw/zinc/85/54/63/451855463.db2.gz HGQAUEAHFXYLRS-HZSPNIEDSA-N 2 2 344.402 1.403 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000642304486 451856008 /nfs/dbraw/zinc/85/60/08/451856008.db2.gz BCYYXFWEFQNFCH-MRXNPFEDSA-N 2 2 346.475 1.278 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000642304486 451856013 /nfs/dbraw/zinc/85/60/13/451856013.db2.gz BCYYXFWEFQNFCH-MRXNPFEDSA-N 2 2 346.475 1.278 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000644569340 451867431 /nfs/dbraw/zinc/86/74/31/451867431.db2.gz IYGVYOQJWRFCCJ-SJLPKXTDSA-N 2 2 349.475 1.849 20 0 EDADLP C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C1 ZINC000641366067 451898692 /nfs/dbraw/zinc/89/86/92/451898692.db2.gz VKLWXQBGHDHUFN-CQSZACIVSA-N 2 2 337.489 1.295 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C1 ZINC000641366067 451898697 /nfs/dbraw/zinc/89/86/97/451898697.db2.gz VKLWXQBGHDHUFN-CQSZACIVSA-N 2 2 337.489 1.295 20 0 EDADLP C[C@@H]1CC[NH+](CCNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000641366067 451898700 /nfs/dbraw/zinc/89/87/00/451898700.db2.gz VKLWXQBGHDHUFN-CQSZACIVSA-N 2 2 337.489 1.295 20 0 EDADLP C[C@@H]1CC[NH+](CCNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000641366067 451898704 /nfs/dbraw/zinc/89/87/04/451898704.db2.gz VKLWXQBGHDHUFN-CQSZACIVSA-N 2 2 337.489 1.295 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2csc(-c3cccs3)n2)[C@@H](C[NH3+])C1 ZINC000646835559 451874220 /nfs/dbraw/zinc/87/42/20/451874220.db2.gz GREBOPFOQCITKC-LBPRGKRZSA-N 2 2 336.486 1.515 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2csc(-c3cccs3)n2)[C@@H](C[NH3+])C1 ZINC000646835559 451874225 /nfs/dbraw/zinc/87/42/25/451874225.db2.gz GREBOPFOQCITKC-LBPRGKRZSA-N 2 2 336.486 1.515 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649210355 451906942 /nfs/dbraw/zinc/90/69/42/451906942.db2.gz LVWXWDPYEZNFNU-MRXNPFEDSA-N 2 2 340.427 1.916 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649213592 451907792 /nfs/dbraw/zinc/90/77/92/451907792.db2.gz AFZQPIYBOMYGIO-MAUKXSAKSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649213592 451907799 /nfs/dbraw/zinc/90/77/99/451907799.db2.gz AFZQPIYBOMYGIO-MAUKXSAKSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2cncn2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649213592 451907802 /nfs/dbraw/zinc/90/78/02/451907802.db2.gz AFZQPIYBOMYGIO-MAUKXSAKSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2cncn2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649213592 451907811 /nfs/dbraw/zinc/90/78/11/451907811.db2.gz AFZQPIYBOMYGIO-MAUKXSAKSA-N 2 2 345.491 1.072 20 0 EDADLP C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[N@@H+]1C1CC1 ZINC000641376434 451910525 /nfs/dbraw/zinc/91/05/25/451910525.db2.gz XMOUDXUQQGNFIV-UKRRQHHQSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[N@H+]1C1CC1 ZINC000641376434 451910530 /nfs/dbraw/zinc/91/05/30/451910530.db2.gz XMOUDXUQQGNFIV-UKRRQHHQSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[NH+]1C1CC1 ZINC000641376434 451910534 /nfs/dbraw/zinc/91/05/34/451910534.db2.gz XMOUDXUQQGNFIV-UKRRQHHQSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[NH+]1C1CC1 ZINC000641376434 451910541 /nfs/dbraw/zinc/91/05/41/451910541.db2.gz XMOUDXUQQGNFIV-UKRRQHHQSA-N 2 2 349.500 1.578 20 0 EDADLP CN(C)c1cccnc1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644650695 451918358 /nfs/dbraw/zinc/91/83/58/451918358.db2.gz QJFDEYOPRNYNLU-KRWDZBQOSA-N 2 2 328.460 1.730 20 0 EDADLP CN(C)c1cccnc1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644650695 451918362 /nfs/dbraw/zinc/91/83/62/451918362.db2.gz QJFDEYOPRNYNLU-KRWDZBQOSA-N 2 2 328.460 1.730 20 0 EDADLP O=C([C@@H]1C[NH2+]CCOC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000649278746 451949907 /nfs/dbraw/zinc/94/99/07/451949907.db2.gz ZCTWKJVHLUBFRJ-OAHLLOKOSA-N 2 2 337.851 1.220 20 0 EDADLP Cc1ccc(CNS(=O)(=O)CCn2cc[nH+]c2)c(N2CCCC2)[nH+]1 ZINC000641417521 451956310 /nfs/dbraw/zinc/95/63/10/451956310.db2.gz URKOOAKGEADKKD-UHFFFAOYSA-N 2 2 349.460 1.306 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1C[NH2+]CCC1(F)F ZINC000649284803 451957004 /nfs/dbraw/zinc/95/70/04/451957004.db2.gz AQPXEJILUCPZGK-CQSZACIVSA-N 2 2 338.402 1.933 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(F)(F)F ZINC000646956622 451968064 /nfs/dbraw/zinc/96/80/64/451968064.db2.gz UJBKEQNENGKROM-NWDGAFQWSA-N 2 2 332.370 1.866 20 0 EDADLP CN1CC[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000649305276 451981227 /nfs/dbraw/zinc/98/12/27/451981227.db2.gz KCCPBQQMTJZIDT-MJGOQNOKSA-N 2 2 330.476 1.048 20 0 EDADLP CN1CC[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000649305276 451981231 /nfs/dbraw/zinc/98/12/31/451981231.db2.gz KCCPBQQMTJZIDT-MJGOQNOKSA-N 2 2 330.476 1.048 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649326147 452007312 /nfs/dbraw/zinc/00/73/12/452007312.db2.gz UEQIOLSEHSJGRO-KNCOVGOOSA-N 2 2 335.473 1.045 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000639668226 452010771 /nfs/dbraw/zinc/01/07/71/452010771.db2.gz GEPVNJUBGRUSIM-MRXNPFEDSA-N 2 2 332.444 1.653 20 0 EDADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000649330333 452011473 /nfs/dbraw/zinc/01/14/73/452011473.db2.gz RIZREFZLZAQRPP-IRXDYDNUSA-N 2 2 331.460 1.044 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000653555166 452013041 /nfs/dbraw/zinc/01/30/41/452013041.db2.gz MWUMTJHPCSUYPR-OALUTQOASA-N 2 2 339.524 1.802 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000653555166 452013046 /nfs/dbraw/zinc/01/30/46/452013046.db2.gz MWUMTJHPCSUYPR-OALUTQOASA-N 2 2 339.524 1.802 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)ccc21 ZINC000653618140 452042909 /nfs/dbraw/zinc/04/29/09/452042909.db2.gz NRJNOIHERLBNDJ-DOTOQJQBSA-N 2 2 332.448 1.688 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)ccc21 ZINC000653618140 452042914 /nfs/dbraw/zinc/04/29/14/452042914.db2.gz NRJNOIHERLBNDJ-DOTOQJQBSA-N 2 2 332.448 1.688 20 0 EDADLP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000649365669 452043381 /nfs/dbraw/zinc/04/33/81/452043381.db2.gz KTRPJVSAWOWHKP-CQSZACIVSA-N 2 2 345.434 1.383 20 0 EDADLP CCC[C@@H](C)S(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000651752997 452055601 /nfs/dbraw/zinc/05/56/01/452055601.db2.gz ACKQZGDUUFQIQK-MRXNPFEDSA-N 2 2 345.553 1.997 20 0 EDADLP CCC[C@@H](C)S(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000651752997 452055607 /nfs/dbraw/zinc/05/56/07/452055607.db2.gz ACKQZGDUUFQIQK-MRXNPFEDSA-N 2 2 345.553 1.997 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649414915 452078619 /nfs/dbraw/zinc/07/86/19/452078619.db2.gz AAHXEZIZBOSYRF-MAUKXSAKSA-N 3 2 334.508 1.193 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649414915 452078625 /nfs/dbraw/zinc/07/86/25/452078625.db2.gz AAHXEZIZBOSYRF-MAUKXSAKSA-N 3 2 334.508 1.193 20 0 EDADLP CC1(C)CN(Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1CCO ZINC000643252230 452098163 /nfs/dbraw/zinc/09/81/63/452098163.db2.gz XGXUCJRJBHVDAT-UHFFFAOYSA-N 2 2 347.503 1.407 20 0 EDADLP CC1(C)CN(Cc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1CCO ZINC000643252230 452098168 /nfs/dbraw/zinc/09/81/68/452098168.db2.gz XGXUCJRJBHVDAT-UHFFFAOYSA-N 2 2 347.503 1.407 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(F)c1 ZINC000647169063 452103511 /nfs/dbraw/zinc/10/35/11/452103511.db2.gz XKVYREIUFWTZKH-UHFFFAOYSA-N 2 2 329.441 1.439 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763381 452103793 /nfs/dbraw/zinc/10/37/93/452103793.db2.gz COTGFZGUCOTNMJ-QFBILLFUSA-N 2 2 333.476 1.595 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763381 452103798 /nfs/dbraw/zinc/10/37/98/452103798.db2.gz COTGFZGUCOTNMJ-QFBILLFUSA-N 2 2 333.476 1.595 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767551 452109566 /nfs/dbraw/zinc/10/95/66/452109566.db2.gz UYUGHYFJLJJENW-LJQANCHMSA-N 2 2 333.476 1.342 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767551 452109570 /nfs/dbraw/zinc/10/95/70/452109570.db2.gz UYUGHYFJLJJENW-LJQANCHMSA-N 2 2 333.476 1.342 20 0 EDADLP CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000643275381 452111480 /nfs/dbraw/zinc/11/14/80/452111480.db2.gz ZYHRDAHMIDZVGF-HZPDHXFCSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000643275381 452111483 /nfs/dbraw/zinc/11/14/83/452111483.db2.gz ZYHRDAHMIDZVGF-HZPDHXFCSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)n1C[C@H]1CCCOC1 ZINC000637864535 452121848 /nfs/dbraw/zinc/12/18/48/452121848.db2.gz SZDUQMCYHHAYSE-IAGOWNOFSA-N 2 2 348.491 1.246 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)n1C[C@H]1CCCOC1 ZINC000637864535 452121852 /nfs/dbraw/zinc/12/18/52/452121852.db2.gz SZDUQMCYHHAYSE-IAGOWNOFSA-N 2 2 348.491 1.246 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000645100556 452151500 /nfs/dbraw/zinc/15/15/00/452151500.db2.gz UJMBDALCLBTFMX-ROUUACIJSA-N 2 2 349.450 1.143 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000645100556 452151507 /nfs/dbraw/zinc/15/15/07/452151507.db2.gz UJMBDALCLBTFMX-ROUUACIJSA-N 2 2 349.450 1.143 20 0 EDADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H]1CCC(=O)N1)CC2 ZINC000649602314 452162582 /nfs/dbraw/zinc/16/25/82/452162582.db2.gz WVBFKXRQADOVML-UONOGXRCSA-N 2 2 334.489 1.708 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H]1CCC(=O)N1)CC2 ZINC000649602314 452162589 /nfs/dbraw/zinc/16/25/89/452162589.db2.gz WVBFKXRQADOVML-UONOGXRCSA-N 2 2 334.489 1.708 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(C)[nH+]1 ZINC000643384084 452166204 /nfs/dbraw/zinc/16/62/04/452166204.db2.gz VOXRVPOIGZEYMY-KRWDZBQOSA-N 2 2 332.448 1.705 20 0 EDADLP COCC(COC)[NH+]1CCN(Cc2cc(OC(C)C)cc[nH+]2)CC1 ZINC000649629920 452174880 /nfs/dbraw/zinc/17/48/80/452174880.db2.gz WZKZPBZLUUYELC-UHFFFAOYSA-N 2 2 337.464 1.648 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647325609 452179067 /nfs/dbraw/zinc/17/90/67/452179067.db2.gz KJNVVDGQSBDQHB-NVXWUHKLSA-N 2 2 328.464 1.643 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647325609 452179070 /nfs/dbraw/zinc/17/90/70/452179070.db2.gz KJNVVDGQSBDQHB-NVXWUHKLSA-N 2 2 328.464 1.643 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000653968002 452187773 /nfs/dbraw/zinc/18/77/73/452187773.db2.gz DPSYICWDVVNELO-JKSUJKDBSA-N 2 2 341.415 1.370 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000653968002 452187777 /nfs/dbraw/zinc/18/77/77/452187777.db2.gz DPSYICWDVVNELO-JKSUJKDBSA-N 2 2 341.415 1.370 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)c[nH+]1 ZINC000654026019 452207979 /nfs/dbraw/zinc/20/79/79/452207979.db2.gz YULBUIOEFASYFY-INIZCTEOSA-N 2 2 332.448 1.839 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1(C)C ZINC000641752676 452237110 /nfs/dbraw/zinc/23/71/10/452237110.db2.gz LGRGRVHCOCNSES-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1(C)C ZINC000641752676 452237121 /nfs/dbraw/zinc/23/71/21/452237121.db2.gz LGRGRVHCOCNSES-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C1CC1 ZINC000647519621 452254443 /nfs/dbraw/zinc/25/44/43/452254443.db2.gz QLIHEEARDHCNQH-BZUAXINKSA-N 2 2 346.393 1.566 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C1CC1 ZINC000647519621 452254452 /nfs/dbraw/zinc/25/44/52/452254452.db2.gz QLIHEEARDHCNQH-BZUAXINKSA-N 2 2 346.393 1.566 20 0 EDADLP c1cc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641785289 452257590 /nfs/dbraw/zinc/25/75/90/452257590.db2.gz HTWBWPFAQDFQEF-SJORKVTESA-N 2 2 333.480 1.104 20 0 EDADLP CCOc1cncc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641787634 452264772 /nfs/dbraw/zinc/26/47/72/452264772.db2.gz WRRTYSLEPMJCFO-GOSISDBHSA-N 2 2 348.491 1.367 20 0 EDADLP Fc1cccc(F)c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789523 452267004 /nfs/dbraw/zinc/26/70/04/452267004.db2.gz HPKGFVXOFBDDOS-OAHLLOKOSA-N 2 2 339.430 1.851 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccncc1 ZINC000647534001 452267659 /nfs/dbraw/zinc/26/76/59/452267659.db2.gz DJOOTGRTVVUKOQ-MOPGFXCFSA-N 2 2 329.444 1.068 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccncc1 ZINC000647534001 452267665 /nfs/dbraw/zinc/26/76/65/452267665.db2.gz DJOOTGRTVVUKOQ-MOPGFXCFSA-N 2 2 329.444 1.068 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000659428719 452271186 /nfs/dbraw/zinc/27/11/86/452271186.db2.gz GFHKRTMZJOSQHH-RBSFLKMASA-N 2 2 349.385 1.729 20 0 EDADLP C[N@@H+]1CCN(Cc2csc(COc3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000647539390 452272682 /nfs/dbraw/zinc/27/26/82/452272682.db2.gz ZGIGMOGBNYBZMP-OAHLLOKOSA-N 2 2 332.473 1.797 20 0 EDADLP C[N@H+]1CCN(Cc2csc(COc3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000647539390 452272695 /nfs/dbraw/zinc/27/26/95/452272695.db2.gz ZGIGMOGBNYBZMP-OAHLLOKOSA-N 2 2 332.473 1.797 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2nc[nH+]c3c2OCCN3)C1 ZINC000665711019 452272846 /nfs/dbraw/zinc/27/28/46/452272846.db2.gz ZGWDWTQWVMLYFE-OAHLLOKOSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2nc[nH+]c3c2OCCN3)C1 ZINC000665711019 452272854 /nfs/dbraw/zinc/27/28/54/452272854.db2.gz ZGWDWTQWVMLYFE-OAHLLOKOSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2[nH+]cnc3c2OCCN3)C1 ZINC000665711019 452272860 /nfs/dbraw/zinc/27/28/60/452272860.db2.gz ZGWDWTQWVMLYFE-OAHLLOKOSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2[nH+]cnc3c2OCCN3)C1 ZINC000665711019 452272866 /nfs/dbraw/zinc/27/28/66/452272866.db2.gz ZGWDWTQWVMLYFE-OAHLLOKOSA-N 2 2 341.415 1.460 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N(C)CC(C)(C)[NH3+])c[nH+]2)CCO1 ZINC000659432860 452280030 /nfs/dbraw/zinc/28/00/30/452280030.db2.gz RBYCEUIARNFQMK-ZDUSSCGKSA-N 2 2 335.452 1.185 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000655487928 452285408 /nfs/dbraw/zinc/28/54/08/452285408.db2.gz QHHZDQOJMHVSKH-NSIVTLKISA-N 2 2 341.496 1.133 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000659440669 452288872 /nfs/dbraw/zinc/28/88/72/452288872.db2.gz UDQLFXACPXZXBF-NVXWUHKLSA-N 2 2 334.464 1.275 20 0 EDADLP CCC(CC)[C@H](CNC(=O)c1oc(C[NH3+])cc1C)[NH+]1CCOCC1 ZINC000638060821 452350920 /nfs/dbraw/zinc/35/09/20/452350920.db2.gz RVUUIUDKCJLESB-INIZCTEOSA-N 2 2 337.464 1.914 20 0 EDADLP C[N@@H+](Cc1cnc(N)nc1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638067663 452370447 /nfs/dbraw/zinc/37/04/47/452370447.db2.gz SMXUJCPLDPIDHB-OAHLLOKOSA-N 2 2 326.448 1.256 20 0 EDADLP C[N@H+](Cc1cnc(N)nc1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638067663 452370451 /nfs/dbraw/zinc/37/04/51/452370451.db2.gz SMXUJCPLDPIDHB-OAHLLOKOSA-N 2 2 326.448 1.256 20 0 EDADLP C[NH+](Cc1cnc(N)nc1N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638067663 452370456 /nfs/dbraw/zinc/37/04/56/452370456.db2.gz SMXUJCPLDPIDHB-OAHLLOKOSA-N 2 2 326.448 1.256 20 0 EDADLP C[NH+](Cc1cnc(N)nc1N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638067663 452370461 /nfs/dbraw/zinc/37/04/61/452370461.db2.gz SMXUJCPLDPIDHB-OAHLLOKOSA-N 2 2 326.448 1.256 20 0 EDADLP CN(Cc1c[nH+]c(N)nc1N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638067663 452370465 /nfs/dbraw/zinc/37/04/65/452370465.db2.gz SMXUJCPLDPIDHB-OAHLLOKOSA-N 2 2 326.448 1.256 20 0 EDADLP CN(Cc1c[nH+]c(N)nc1N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638067663 452370467 /nfs/dbraw/zinc/37/04/67/452370467.db2.gz SMXUJCPLDPIDHB-OAHLLOKOSA-N 2 2 326.448 1.256 20 0 EDADLP CN(C(=O)CCc1cncs1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398794 452373941 /nfs/dbraw/zinc/37/39/41/452373941.db2.gz MOYAIIKITBNHFO-HNNXBMFYSA-N 2 2 336.505 1.703 20 0 EDADLP CN(C(=O)CCc1cncs1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398794 452373953 /nfs/dbraw/zinc/37/39/53/452373953.db2.gz MOYAIIKITBNHFO-HNNXBMFYSA-N 2 2 336.505 1.703 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)[nH+]1 ZINC000652182200 452376708 /nfs/dbraw/zinc/37/67/08/452376708.db2.gz FVFOAIMZOSQZFA-UHFFFAOYSA-N 2 2 344.419 1.342 20 0 EDADLP CC[C@H](OCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000640051732 452393047 /nfs/dbraw/zinc/39/30/47/452393047.db2.gz XURYRHHDZKFPSO-SFHVURJKSA-N 2 2 333.476 1.860 20 0 EDADLP CC[C@H](OCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000640051732 452393056 /nfs/dbraw/zinc/39/30/56/452393056.db2.gz XURYRHHDZKFPSO-SFHVURJKSA-N 2 2 333.476 1.860 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659550919 452408496 /nfs/dbraw/zinc/40/84/96/452408496.db2.gz SIPDLJKQOYXEJY-SJLPKXTDSA-N 2 2 347.507 1.229 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659550919 452408499 /nfs/dbraw/zinc/40/84/99/452408499.db2.gz SIPDLJKQOYXEJY-SJLPKXTDSA-N 2 2 347.507 1.229 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000663700719 452438721 /nfs/dbraw/zinc/43/87/21/452438721.db2.gz YVNFPXZVCVPNCH-UHFFFAOYSA-N 2 2 337.493 1.913 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000663700719 452438727 /nfs/dbraw/zinc/43/87/27/452438727.db2.gz YVNFPXZVCVPNCH-UHFFFAOYSA-N 2 2 337.493 1.913 20 0 EDADLP CC1(C)C[NH2+][C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000645475359 452447931 /nfs/dbraw/zinc/44/79/31/452447931.db2.gz AKAWZQNFDNSQGA-INIZCTEOSA-N 2 2 334.439 1.062 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3nc4ccccn4n3)CC2)CC1 ZINC000663732097 452465831 /nfs/dbraw/zinc/46/58/31/452465831.db2.gz OOXDGHFLWBAGHG-UHFFFAOYSA-N 2 2 328.464 1.724 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000663734888 452468594 /nfs/dbraw/zinc/46/85/94/452468594.db2.gz RIGUIKKIJBKEGL-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000663734888 452468605 /nfs/dbraw/zinc/46/86/05/452468605.db2.gz RIGUIKKIJBKEGL-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP Cc1cn2cc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)ccc2[nH+]1 ZINC000665951041 452483204 /nfs/dbraw/zinc/48/32/04/452483204.db2.gz DJGDOEZTEHJVOA-UHFFFAOYSA-N 2 2 346.435 1.126 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000654430258 452485150 /nfs/dbraw/zinc/48/51/50/452485150.db2.gz GGMMOLPJAWAEAY-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CN1c1ccccc1 ZINC000655701802 452522728 /nfs/dbraw/zinc/52/27/28/452522728.db2.gz ZZPQWEISEUBJNR-WMZOPIPTSA-N 2 2 329.444 1.635 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(OC)c1 ZINC000652350318 452525041 /nfs/dbraw/zinc/52/50/41/452525041.db2.gz RUHWPWOEXNYPLV-UGSOOPFHSA-N 2 2 333.432 1.703 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(OC)c1 ZINC000652350318 452525049 /nfs/dbraw/zinc/52/50/49/452525049.db2.gz RUHWPWOEXNYPLV-UGSOOPFHSA-N 2 2 333.432 1.703 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351569 452529127 /nfs/dbraw/zinc/52/91/27/452529127.db2.gz HLHLGQGYMRSIIL-KXBFYZLASA-N 2 2 344.459 1.388 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351569 452529138 /nfs/dbraw/zinc/52/91/38/452529138.db2.gz HLHLGQGYMRSIIL-KXBFYZLASA-N 2 2 344.459 1.388 20 0 EDADLP c1cn2c(n1)[C@H]([NH2+]CCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000655713782 452530878 /nfs/dbraw/zinc/53/08/78/452530878.db2.gz VTMSENWCMFXBSR-GOSISDBHSA-N 3 2 340.475 1.915 20 0 EDADLP O[C@@]1(C[NH2+][C@H]2CCCn3ccnc32)CC[N@H+](Cc2ccccc2)C1 ZINC000655714962 452531857 /nfs/dbraw/zinc/53/18/57/452531857.db2.gz FOWKXPPGGOLGQR-PKOBYXMFSA-N 2 2 326.444 1.945 20 0 EDADLP O[C@@]1(C[NH2+][C@H]2CCCn3ccnc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000655714962 452531863 /nfs/dbraw/zinc/53/18/63/452531863.db2.gz FOWKXPPGGOLGQR-PKOBYXMFSA-N 2 2 326.444 1.945 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000652357832 452538306 /nfs/dbraw/zinc/53/83/06/452538306.db2.gz GASBAARTUHASIA-BHIYHBOVSA-N 2 2 345.487 1.818 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000652357832 452538310 /nfs/dbraw/zinc/53/83/10/452538310.db2.gz GASBAARTUHASIA-BHIYHBOVSA-N 2 2 345.487 1.818 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000652358151 452538844 /nfs/dbraw/zinc/53/88/44/452538844.db2.gz GOVSCSFPVJOBMD-XHBSWPGZSA-N 2 2 335.404 1.038 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000652358151 452538854 /nfs/dbraw/zinc/53/88/54/452538854.db2.gz GOVSCSFPVJOBMD-XHBSWPGZSA-N 2 2 335.404 1.038 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]([NH3+])c2cscn2)c1 ZINC000645567042 452540914 /nfs/dbraw/zinc/54/09/14/452540914.db2.gz KHGZOHOXPXQKLZ-HNNXBMFYSA-N 2 2 334.445 1.400 20 0 EDADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)c1[nH]cc[nH+]1 ZINC000647809024 452541142 /nfs/dbraw/zinc/54/11/42/452541142.db2.gz IZPCUDRIHAYPJF-OAHLLOKOSA-N 2 2 327.432 1.799 20 0 EDADLP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C(F)(F)F)n1 ZINC000655734239 452546421 /nfs/dbraw/zinc/54/64/21/452546421.db2.gz CRFYBGTUGYRCBR-ZDUSSCGKSA-N 2 2 332.370 1.782 20 0 EDADLP C[C@@H](c1ncc(Br)cn1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647836227 452572678 /nfs/dbraw/zinc/57/26/78/452572678.db2.gz RRQFLQAWBFFFGI-NSHDSACASA-N 2 2 328.258 1.137 20 0 EDADLP C[C@@H](c1ncc(Br)cn1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647836227 452572685 /nfs/dbraw/zinc/57/26/85/452572685.db2.gz RRQFLQAWBFFFGI-NSHDSACASA-N 2 2 328.258 1.137 20 0 EDADLP O=c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nc2ccccn12 ZINC000655780885 452574027 /nfs/dbraw/zinc/57/40/27/452574027.db2.gz POYYNBSBJXPRLN-QGZVFWFLSA-N 2 2 342.443 1.428 20 0 EDADLP O=S(=O)(NCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901423 452642935 /nfs/dbraw/zinc/64/29/35/452642935.db2.gz OGOGXYMBOKJCHN-DOTOQJQBSA-N 2 2 337.489 1.429 20 0 EDADLP O=S(=O)(NCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901423 452642943 /nfs/dbraw/zinc/64/29/43/452642943.db2.gz OGOGXYMBOKJCHN-DOTOQJQBSA-N 2 2 337.489 1.429 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000647925382 452664278 /nfs/dbraw/zinc/66/42/78/452664278.db2.gz GWXDUDNJNJWTCH-KGLIPLIRSA-N 2 2 347.459 1.837 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657995148 452668744 /nfs/dbraw/zinc/66/87/44/452668744.db2.gz JADGNGZYJLLSPH-CQSZACIVSA-N 2 2 343.431 1.524 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C(F)(F)F ZINC000655914767 452675479 /nfs/dbraw/zinc/67/54/79/452675479.db2.gz OFYCQVSDGUMJLP-GFCCVEGCSA-N 2 2 327.310 1.561 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936388 452675645 /nfs/dbraw/zinc/67/56/45/452675645.db2.gz CLRVUJRQTUJNGA-BBRMVZONSA-N 2 2 339.867 1.894 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000647936388 452675649 /nfs/dbraw/zinc/67/56/49/452675649.db2.gz CLRVUJRQTUJNGA-BBRMVZONSA-N 2 2 339.867 1.894 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[N@@H+]3CCCC3(C)C)cc2[nH+]1 ZINC000658003086 452675798 /nfs/dbraw/zinc/67/57/98/452675798.db2.gz WHAUWPMBSRKMOY-UHFFFAOYSA-N 2 2 343.431 1.572 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[N@H+]3CCCC3(C)C)cc2[nH+]1 ZINC000658003086 452675805 /nfs/dbraw/zinc/67/58/05/452675805.db2.gz WHAUWPMBSRKMOY-UHFFFAOYSA-N 2 2 343.431 1.572 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000647936876 452676871 /nfs/dbraw/zinc/67/68/71/452676871.db2.gz MQSJNOKKKIBOGN-BLLLJJGKSA-N 2 2 325.403 1.683 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)CC[C@H]1[NH3+] ZINC000647936876 452676878 /nfs/dbraw/zinc/67/68/78/452676878.db2.gz MQSJNOKKKIBOGN-BLLLJJGKSA-N 2 2 325.403 1.683 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC[C@H]1[NH3+] ZINC000647937826 452678799 /nfs/dbraw/zinc/67/87/99/452678799.db2.gz CRVUFJQWJFGBSV-CXAGYDPISA-N 2 2 344.459 1.577 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC[C@H]1[NH3+] ZINC000647937826 452678809 /nfs/dbraw/zinc/67/88/09/452678809.db2.gz CRVUFJQWJFGBSV-CXAGYDPISA-N 2 2 344.459 1.577 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647937946 452679091 /nfs/dbraw/zinc/67/90/91/452679091.db2.gz FLLRFPWTWHQSAC-AEFFLSMTSA-N 2 2 341.459 1.548 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000647937946 452679099 /nfs/dbraw/zinc/67/90/99/452679099.db2.gz FLLRFPWTWHQSAC-AEFFLSMTSA-N 2 2 341.459 1.548 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000664023835 452725534 /nfs/dbraw/zinc/72/55/34/452725534.db2.gz XMTMNXPXSAVZQO-QGZVFWFLSA-N 2 2 336.455 1.996 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000664023835 452725544 /nfs/dbraw/zinc/72/55/44/452725544.db2.gz XMTMNXPXSAVZQO-QGZVFWFLSA-N 2 2 336.455 1.996 20 0 EDADLP O=C(CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000647990941 452732903 /nfs/dbraw/zinc/73/29/03/452732903.db2.gz XKSUAOKBLAHILK-AWEZNQCLSA-N 2 2 336.867 1.506 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000658123847 452736986 /nfs/dbraw/zinc/73/69/86/452736986.db2.gz BBZCNMAKZLQMHT-CYBMUJFWSA-N 2 2 329.404 1.262 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000658123847 452736994 /nfs/dbraw/zinc/73/69/94/452736994.db2.gz BBZCNMAKZLQMHT-CYBMUJFWSA-N 2 2 329.404 1.262 20 0 EDADLP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC([N@H+](C)CCO)CC2)o1 ZINC000648007635 452748787 /nfs/dbraw/zinc/74/87/87/452748787.db2.gz VFIKKINOFDHQHE-UHFFFAOYSA-N 2 2 332.448 1.877 20 0 EDADLP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC([N@@H+](C)CCO)CC2)o1 ZINC000648007635 452748792 /nfs/dbraw/zinc/74/87/92/452748792.db2.gz VFIKKINOFDHQHE-UHFFFAOYSA-N 2 2 332.448 1.877 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccn(C(C)(C)C)n3)CC2)CC1 ZINC000654657499 452770067 /nfs/dbraw/zinc/77/00/67/452770067.db2.gz JPJKRVDAJALCTK-UHFFFAOYSA-N 2 2 347.507 1.927 20 0 EDADLP CC1(C)C[NH2+][C@H]1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000645769220 452774955 /nfs/dbraw/zinc/77/49/55/452774955.db2.gz GNOHSUWNBDTQDP-KRWDZBQOSA-N 2 2 347.459 1.012 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000654660046 452775691 /nfs/dbraw/zinc/77/56/91/452775691.db2.gz OWYBUPBVVZMCAQ-NSHDSACASA-N 2 2 329.326 1.777 20 0 EDADLP CC(C)n1cc([C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000664100488 452789090 /nfs/dbraw/zinc/78/90/90/452789090.db2.gz IJWAUQPZCVHZMD-OAHLLOKOSA-N 2 2 338.500 1.708 20 0 EDADLP CC(C)n1cc([C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000664100488 452789097 /nfs/dbraw/zinc/78/90/97/452789097.db2.gz IJWAUQPZCVHZMD-OAHLLOKOSA-N 2 2 338.500 1.708 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662037243 452790938 /nfs/dbraw/zinc/79/09/38/452790938.db2.gz VMKZCUUUYQIRGU-IRXDYDNUSA-N 2 2 349.500 1.361 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662037243 452790946 /nfs/dbraw/zinc/79/09/46/452790946.db2.gz VMKZCUUUYQIRGU-IRXDYDNUSA-N 2 2 349.500 1.361 20 0 EDADLP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000658296339 452835896 /nfs/dbraw/zinc/83/58/96/452835896.db2.gz RQSHRSCLEISMMO-IRXDYDNUSA-N 2 2 332.444 1.842 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654758561 452888282 /nfs/dbraw/zinc/88/82/82/452888282.db2.gz GBLSJNAJEVXMJB-JKSUJKDBSA-N 2 2 339.867 1.780 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654758561 452888284 /nfs/dbraw/zinc/88/82/84/452888284.db2.gz GBLSJNAJEVXMJB-JKSUJKDBSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154310 452892431 /nfs/dbraw/zinc/89/24/31/452892431.db2.gz ANUQPRVBRAQGMD-CRAIPNDOSA-N 2 2 337.508 1.697 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154310 452892437 /nfs/dbraw/zinc/89/24/37/452892437.db2.gz ANUQPRVBRAQGMD-CRAIPNDOSA-N 2 2 337.508 1.697 20 0 EDADLP CN(C(=O)c1cn(C)nc1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643983212 452893530 /nfs/dbraw/zinc/89/35/30/452893530.db2.gz BHFIYGBVUCJZCR-INIZCTEOSA-N 2 2 345.491 1.538 20 0 EDADLP CN(C(=O)c1cn(C)nc1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643983212 452893541 /nfs/dbraw/zinc/89/35/41/452893541.db2.gz BHFIYGBVUCJZCR-INIZCTEOSA-N 2 2 345.491 1.538 20 0 EDADLP CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000662155650 452895021 /nfs/dbraw/zinc/89/50/21/452895021.db2.gz HFMAGZPDUXFKNW-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000662155650 452895031 /nfs/dbraw/zinc/89/50/31/452895031.db2.gz HFMAGZPDUXFKNW-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC[C@@H]([NH+](C)C)C3)cn21 ZINC000645932524 452911220 /nfs/dbraw/zinc/91/12/20/452911220.db2.gz QLTHNIMLWRBFKM-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000645977678 452964973 /nfs/dbraw/zinc/96/49/73/452964973.db2.gz IJPICGHRYPSJCJ-PBHICJAKSA-N 3 2 330.476 1.605 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000645977678 452964979 /nfs/dbraw/zinc/96/49/79/452964979.db2.gz IJPICGHRYPSJCJ-PBHICJAKSA-N 3 2 330.476 1.605 20 0 EDADLP Cc1cccn2cc(CCNC(=O)c3ccn(CC[NH+](C)C)n3)[nH+]c12 ZINC000654852088 452976368 /nfs/dbraw/zinc/97/63/68/452976368.db2.gz WYEMNBOADHNKBT-UHFFFAOYSA-N 2 2 340.431 1.373 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c[nH+]1 ZINC000656254070 452992711 /nfs/dbraw/zinc/99/27/11/452992711.db2.gz XLDOWWIQKYASAN-QGZVFWFLSA-N 2 2 332.448 1.705 20 0 EDADLP COc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1Cl ZINC000662266183 452996348 /nfs/dbraw/zinc/99/63/48/452996348.db2.gz KGGDRTMJZNDIII-CQSZACIVSA-N 2 2 337.851 1.745 20 0 EDADLP COc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1Cl ZINC000662266183 452996355 /nfs/dbraw/zinc/99/63/55/452996355.db2.gz KGGDRTMJZNDIII-CQSZACIVSA-N 2 2 337.851 1.745 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000650810688 453012033 /nfs/dbraw/zinc/01/20/33/453012033.db2.gz YUNKRLBXIOPBCT-GOSISDBHSA-N 2 2 341.459 1.760 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000650810688 453012039 /nfs/dbraw/zinc/01/20/39/453012039.db2.gz YUNKRLBXIOPBCT-GOSISDBHSA-N 2 2 341.459 1.760 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000650813100 453013510 /nfs/dbraw/zinc/01/35/10/453013510.db2.gz YUFYOFJROAFUOS-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000650813100 453013519 /nfs/dbraw/zinc/01/35/19/453013519.db2.gz YUFYOFJROAFUOS-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP CC(C)C[NH+](C)CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000650813100 453013529 /nfs/dbraw/zinc/01/35/29/453013529.db2.gz YUFYOFJROAFUOS-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP CC(C)C[NH+](C)CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000650813100 453013539 /nfs/dbraw/zinc/01/35/39/453013539.db2.gz YUFYOFJROAFUOS-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319436 453034832 /nfs/dbraw/zinc/03/48/32/453034832.db2.gz NFUDTVLIWZZCIL-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319436 453034840 /nfs/dbraw/zinc/03/48/40/453034840.db2.gz NFUDTVLIWZZCIL-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000648437360 453086462 /nfs/dbraw/zinc/08/64/62/453086462.db2.gz YOCIPQKFPNRGHG-GFCCVEGCSA-N 2 2 327.350 1.455 20 0 EDADLP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102995 453105016 /nfs/dbraw/zinc/10/50/16/453105016.db2.gz ZWFQRJAAQJVKRV-MRXNPFEDSA-N 2 2 343.471 1.761 20 0 EDADLP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102995 453105024 /nfs/dbraw/zinc/10/50/24/453105024.db2.gz ZWFQRJAAQJVKRV-MRXNPFEDSA-N 2 2 343.471 1.761 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664504368 453146639 /nfs/dbraw/zinc/14/66/39/453146639.db2.gz HBLFFJPHRYAJMN-NJINODPHSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664504368 453146647 /nfs/dbraw/zinc/14/66/47/453146647.db2.gz HBLFFJPHRYAJMN-NJINODPHSA-N 2 2 340.512 1.515 20 0 EDADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664519707 453159788 /nfs/dbraw/zinc/15/97/88/453159788.db2.gz JSUDFRBYBIXQEX-HZPDHXFCSA-N 2 2 331.464 1.786 20 0 EDADLP CCN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664519707 453159794 /nfs/dbraw/zinc/15/97/94/453159794.db2.gz JSUDFRBYBIXQEX-HZPDHXFCSA-N 2 2 331.464 1.786 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000664537127 453176097 /nfs/dbraw/zinc/17/60/97/453176097.db2.gz ZFDRCHDTXFYYQH-SFHVURJKSA-N 3 2 347.507 1.356 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000664537127 453176106 /nfs/dbraw/zinc/17/61/06/453176106.db2.gz ZFDRCHDTXFYYQH-SFHVURJKSA-N 3 2 347.507 1.356 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000664537127 453176118 /nfs/dbraw/zinc/17/61/18/453176118.db2.gz ZFDRCHDTXFYYQH-SFHVURJKSA-N 3 2 347.507 1.356 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000664537127 453176127 /nfs/dbraw/zinc/17/61/27/453176127.db2.gz ZFDRCHDTXFYYQH-SFHVURJKSA-N 3 2 347.507 1.356 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000664537746 453178885 /nfs/dbraw/zinc/17/88/85/453178885.db2.gz RFTUFKPSTDXKQV-HNNXBMFYSA-N 3 2 339.528 1.184 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000664537746 453178892 /nfs/dbraw/zinc/17/88/92/453178892.db2.gz RFTUFKPSTDXKQV-HNNXBMFYSA-N 3 2 339.528 1.184 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000646190717 453201935 /nfs/dbraw/zinc/20/19/35/453201935.db2.gz UBNGLGMOHGBWCR-INIZCTEOSA-N 2 2 325.416 1.618 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC[N@@H+]1C ZINC000648720777 453209654 /nfs/dbraw/zinc/20/96/54/453209654.db2.gz GEUZJWAERNGUCL-NVXWUHKLSA-N 2 2 341.459 1.319 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC[N@H+]1C ZINC000648720777 453209658 /nfs/dbraw/zinc/20/96/58/453209658.db2.gz GEUZJWAERNGUCL-NVXWUHKLSA-N 2 2 341.459 1.319 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000662525136 453245071 /nfs/dbraw/zinc/24/50/71/453245071.db2.gz QNKAQFHFALLRHT-OAHLLOKOSA-N 2 2 339.867 1.861 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000666923450 453247967 /nfs/dbraw/zinc/24/79/67/453247967.db2.gz LHRCATYDQWAMIP-HNNXBMFYSA-N 2 2 332.452 1.101 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000666923450 453247974 /nfs/dbraw/zinc/24/79/74/453247974.db2.gz LHRCATYDQWAMIP-HNNXBMFYSA-N 2 2 332.452 1.101 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000653073755 453252403 /nfs/dbraw/zinc/25/24/03/453252403.db2.gz LTPIXEJZRJTZEW-CYBMUJFWSA-N 2 2 333.436 1.532 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000653084015 453264636 /nfs/dbraw/zinc/26/46/36/453264636.db2.gz ROVKFCOBCSMVAC-UBHSHLNASA-N 2 2 329.366 1.957 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000653084485 453267221 /nfs/dbraw/zinc/26/72/21/453267221.db2.gz IDLRUHQGLWQXCJ-HNNXBMFYSA-N 2 2 334.395 1.418 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1(C)C ZINC000646265209 453272238 /nfs/dbraw/zinc/27/22/38/453272238.db2.gz OFNFGUQSCWKTGT-PMUMKWKESA-N 2 2 332.448 1.309 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653108776 453293882 /nfs/dbraw/zinc/29/38/82/453293882.db2.gz HIVMUEIBIMKFDV-HOTGVXAUSA-N 2 2 330.432 1.065 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000653124866 453318773 /nfs/dbraw/zinc/31/87/73/453318773.db2.gz JNPBVEPKHUELMU-QZTJIDSGSA-N 3 2 348.535 1.584 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646341168 453330980 /nfs/dbraw/zinc/33/09/80/453330980.db2.gz LDKFTSFEGSPBPG-MAUKXSAKSA-N 2 2 329.444 1.343 20 0 EDADLP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000653163776 453356738 /nfs/dbraw/zinc/35/67/38/453356738.db2.gz RTAAYPPNOQLKQO-VQIMIIECSA-N 2 2 346.475 1.507 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C)CO1 ZINC000664743966 453369124 /nfs/dbraw/zinc/36/91/24/453369124.db2.gz YXSQVNLONHCHLH-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C)CO1 ZINC000664743966 453369131 /nfs/dbraw/zinc/36/91/31/453369131.db2.gz YXSQVNLONHCHLH-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP [NH3+]CC1(CCNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1 ZINC000653216212 453405201 /nfs/dbraw/zinc/40/52/01/453405201.db2.gz SNJFNIFNIKBWAK-KRWDZBQOSA-N 3 2 341.459 1.046 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc(C(F)(F)F)co1 ZINC000667130135 453425511 /nfs/dbraw/zinc/42/55/11/453425511.db2.gz LGGFVXHCSSCFGY-UHFFFAOYSA-N 2 2 337.346 1.698 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc(C(F)(F)F)co1 ZINC000667130135 453425517 /nfs/dbraw/zinc/42/55/17/453425517.db2.gz LGGFVXHCSSCFGY-UHFFFAOYSA-N 2 2 337.346 1.698 20 0 EDADLP O=C(N1CC[NH+](Cc2cccc(O)c2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662709324 453432968 /nfs/dbraw/zinc/43/29/68/453432968.db2.gz BKXKEYFSVKMDGL-UHFFFAOYSA-N 2 2 329.444 1.711 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000662717996 453441645 /nfs/dbraw/zinc/44/16/45/453441645.db2.gz UUXMDZZSTDOUQK-XHSDSOJGSA-N 2 2 339.386 1.022 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000662741282 453466094 /nfs/dbraw/zinc/46/60/94/453466094.db2.gz DZQQKMUDPYUAOV-KRWDZBQOSA-N 2 2 330.476 1.190 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000662741282 453466102 /nfs/dbraw/zinc/46/61/02/453466102.db2.gz DZQQKMUDPYUAOV-KRWDZBQOSA-N 2 2 330.476 1.190 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000660697398 453520670 /nfs/dbraw/zinc/52/06/70/453520670.db2.gz ZEICUSPRONEMMD-MRXNPFEDSA-N 2 2 325.497 1.458 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655442866 453529965 /nfs/dbraw/zinc/52/99/65/453529965.db2.gz DMQIJHFXDCAQBW-GGPKGHCWSA-N 2 2 343.471 1.566 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660740244 453555889 /nfs/dbraw/zinc/55/58/89/453555889.db2.gz ONAIDLBFMKITLB-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660740244 453555898 /nfs/dbraw/zinc/55/58/98/453555898.db2.gz ONAIDLBFMKITLB-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP Cc1c(C[NH3+])c(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)nn1C ZINC000662837116 453562546 /nfs/dbraw/zinc/56/25/46/453562546.db2.gz JYBGGKGSJVTORJ-CYBMUJFWSA-N 2 2 327.432 1.573 20 0 EDADLP Cc1c(C[NH3+])c(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)nn1C ZINC000662837116 453562552 /nfs/dbraw/zinc/56/25/52/453562552.db2.gz JYBGGKGSJVTORJ-CYBMUJFWSA-N 2 2 327.432 1.573 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667330812 453563742 /nfs/dbraw/zinc/56/37/42/453563742.db2.gz MJHAUFNYXHMFFY-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000667330812 453563746 /nfs/dbraw/zinc/56/37/46/453563746.db2.gz MJHAUFNYXHMFFY-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000660760112 453564079 /nfs/dbraw/zinc/56/40/79/453564079.db2.gz MRMLBGXNDJYUCZ-BBWFWOEESA-N 2 2 335.492 1.260 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)[C@H](C)[NH3+] ZINC000662849723 453570475 /nfs/dbraw/zinc/57/04/75/453570475.db2.gz KAXRDOAXRHJTJU-NQYYFHDYSA-N 2 2 345.487 1.718 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)[C@H](C)[NH3+] ZINC000662849723 453570479 /nfs/dbraw/zinc/57/04/79/453570479.db2.gz KAXRDOAXRHJTJU-NQYYFHDYSA-N 2 2 345.487 1.718 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000662851191 453570589 /nfs/dbraw/zinc/57/05/89/453570589.db2.gz WYDCVDUHSCOEPU-CQSZACIVSA-N 2 2 332.379 1.194 20 0 EDADLP CC1(C)CC[NH2+][C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850141 453571209 /nfs/dbraw/zinc/57/12/09/453571209.db2.gz NWSRNXWZFONXTH-SQNIBIBYSA-N 2 2 343.471 1.486 20 0 EDADLP CC1(C)CC[NH2+][C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850141 453571212 /nfs/dbraw/zinc/57/12/12/453571212.db2.gz NWSRNXWZFONXTH-SQNIBIBYSA-N 2 2 343.471 1.486 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@H](C)CO1 ZINC000662860454 453574787 /nfs/dbraw/zinc/57/47/87/453574787.db2.gz RZEIKKICPZBKFZ-LALPHHSUSA-N 2 2 325.840 1.565 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@H](C)CO1 ZINC000662860454 453574792 /nfs/dbraw/zinc/57/47/92/453574792.db2.gz RZEIKKICPZBKFZ-LALPHHSUSA-N 2 2 325.840 1.565 20 0 EDADLP CN(C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899458 453593551 /nfs/dbraw/zinc/59/35/51/453593551.db2.gz DCXXFSOKJOQXDR-RCCFBDPRSA-N 3 2 334.508 1.144 20 0 EDADLP CN(C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899458 453593553 /nfs/dbraw/zinc/59/35/53/453593553.db2.gz DCXXFSOKJOQXDR-RCCFBDPRSA-N 3 2 334.508 1.144 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662909384 453598560 /nfs/dbraw/zinc/59/85/60/453598560.db2.gz DPPHTNBITOADJX-GOSISDBHSA-N 2 2 347.459 1.266 20 0 EDADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665252634 453625233 /nfs/dbraw/zinc/62/52/33/453625233.db2.gz UYTXXFUTLQALCL-NORZTCDRSA-N 2 2 325.403 1.867 20 0 EDADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665292961 453639461 /nfs/dbraw/zinc/63/94/61/453639461.db2.gz NMTGGQTUYTYAGY-GOEBONIOSA-N 3 2 341.459 1.641 20 0 EDADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665292961 453639464 /nfs/dbraw/zinc/63/94/64/453639464.db2.gz NMTGGQTUYTYAGY-GOEBONIOSA-N 3 2 341.459 1.641 20 0 EDADLP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1[nH+]ccn1C ZINC000659109194 453640652 /nfs/dbraw/zinc/64/06/52/453640652.db2.gz YJOTUZCFRXDGLP-SNVBAGLBSA-N 2 2 345.378 1.021 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000663004471 453644152 /nfs/dbraw/zinc/64/41/52/453644152.db2.gz MNIXMBWCULZQNL-GJZGRUSLSA-N 2 2 327.432 1.255 20 0 EDADLP CCc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657071764 453661360 /nfs/dbraw/zinc/66/13/60/453661360.db2.gz CXKUGIQCADYCLZ-HNNXBMFYSA-N 2 2 341.521 1.799 20 0 EDADLP CCc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657071764 453661363 /nfs/dbraw/zinc/66/13/63/453661363.db2.gz CXKUGIQCADYCLZ-HNNXBMFYSA-N 2 2 341.521 1.799 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000657071806 453661921 /nfs/dbraw/zinc/66/19/21/453661921.db2.gz GHOGLMZITDQHRD-LBPRGKRZSA-N 2 2 349.447 1.515 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000657071806 453661924 /nfs/dbraw/zinc/66/19/24/453661924.db2.gz GHOGLMZITDQHRD-LBPRGKRZSA-N 2 2 349.447 1.515 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1c(F)cccc1F ZINC000657091740 453675491 /nfs/dbraw/zinc/67/54/91/453675491.db2.gz OXIVXHXIYBKJQO-UHFFFAOYSA-N 2 2 349.447 1.268 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1c(F)cccc1F ZINC000657091740 453675493 /nfs/dbraw/zinc/67/54/93/453675493.db2.gz OXIVXHXIYBKJQO-UHFFFAOYSA-N 2 2 349.447 1.268 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000665463087 453702319 /nfs/dbraw/zinc/70/23/19/453702319.db2.gz ZOZPOXIMHAJLRU-QAPCUYQASA-N 2 2 329.444 1.622 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000665463087 453702323 /nfs/dbraw/zinc/70/23/23/453702323.db2.gz ZOZPOXIMHAJLRU-QAPCUYQASA-N 2 2 329.444 1.622 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000665463087 453702326 /nfs/dbraw/zinc/70/23/26/453702326.db2.gz ZOZPOXIMHAJLRU-QAPCUYQASA-N 2 2 329.444 1.622 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000665463087 453702330 /nfs/dbraw/zinc/70/23/30/453702330.db2.gz ZOZPOXIMHAJLRU-QAPCUYQASA-N 2 2 329.444 1.622 20 0 EDADLP C[NH+](C)CC1(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000661081233 453706256 /nfs/dbraw/zinc/70/62/56/453706256.db2.gz RXBCGGRDEKQHTO-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000663303630 453762795 /nfs/dbraw/zinc/76/27/95/453762795.db2.gz IFIFRCLCBUIBDI-YOEHRIQHSA-N 2 2 347.459 1.865 20 0 EDADLP C[C@H]1CN(c2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cn2)CCO1 ZINC000657311487 453763546 /nfs/dbraw/zinc/76/35/46/453763546.db2.gz LFHRFELUWFLLAX-AWEZNQCLSA-N 2 2 327.432 1.739 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661274571 453780215 /nfs/dbraw/zinc/78/02/15/453780215.db2.gz BXKRBMOFWLKPQK-HIFRSBDPSA-N 2 2 335.452 1.517 20 0 EDADLP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000657401584 453782342 /nfs/dbraw/zinc/78/23/42/453782342.db2.gz WUEZRIWRBKKPKA-DZGCQCFKSA-N 2 2 346.397 1.906 20 0 EDADLP C[C@H]1CCC[N@H+](CCNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663390836 453787269 /nfs/dbraw/zinc/78/72/69/453787269.db2.gz ZJVTWTXRILCGMQ-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663390836 453787270 /nfs/dbraw/zinc/78/72/70/453787270.db2.gz ZJVTWTXRILCGMQ-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661365441 453801338 /nfs/dbraw/zinc/80/13/38/453801338.db2.gz ACTXCVIQQCYOMP-GVDBMIGSSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661365441 453801341 /nfs/dbraw/zinc/80/13/41/453801341.db2.gz ACTXCVIQQCYOMP-GVDBMIGSSA-N 2 2 336.480 1.119 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NCC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000679893320 486665108 /nfs/dbraw/zinc/66/51/08/486665108.db2.gz ZCUWWYLEMVHNRX-UHFFFAOYSA-N 2 2 347.463 1.362 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000548311703 486672987 /nfs/dbraw/zinc/67/29/87/486672987.db2.gz WSWOIEADQZSYFM-RDJZCZTQSA-N 2 2 334.464 1.451 20 0 EDADLP C[C@H]1CC[N@H+](Cc2nnnn2C2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000683370904 486699034 /nfs/dbraw/zinc/69/90/34/486699034.db2.gz VBYWIWXRIYGRPN-ZFWWWQNUSA-N 2 2 331.424 1.304 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2nnnn2C2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000683370904 486699039 /nfs/dbraw/zinc/69/90/39/486699039.db2.gz VBYWIWXRIYGRPN-ZFWWWQNUSA-N 2 2 331.424 1.304 20 0 EDADLP C[C@H](Nc1nc(NCCO)c2ccccc2[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000676315174 486735431 /nfs/dbraw/zinc/73/54/31/486735431.db2.gz YWHQOASKRKBZJE-SWLSCSKDSA-N 2 2 331.420 1.165 20 0 EDADLP C[C@H](Nc1nc(NCCO)c2ccccc2[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000676315174 486735435 /nfs/dbraw/zinc/73/54/35/486735435.db2.gz YWHQOASKRKBZJE-SWLSCSKDSA-N 2 2 331.420 1.165 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000676558984 486806230 /nfs/dbraw/zinc/80/62/30/486806230.db2.gz WCFVWBSYPFUDSQ-MRXNPFEDSA-N 2 2 326.400 1.846 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000676558984 486806232 /nfs/dbraw/zinc/80/62/32/486806232.db2.gz WCFVWBSYPFUDSQ-MRXNPFEDSA-N 2 2 326.400 1.846 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nc[nH+]1 ZINC000417783516 486812002 /nfs/dbraw/zinc/81/20/02/486812002.db2.gz ZIDNTIFCETVVBV-BFHYXJOUSA-N 2 2 347.467 1.056 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]cn1 ZINC000417783516 486812006 /nfs/dbraw/zinc/81/20/06/486812006.db2.gz ZIDNTIFCETVVBV-BFHYXJOUSA-N 2 2 347.467 1.056 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667564699 486848753 /nfs/dbraw/zinc/84/87/53/486848753.db2.gz WKPNQIZKFXZKLC-CALCHBBNSA-N 2 2 331.508 1.820 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667564699 486848760 /nfs/dbraw/zinc/84/87/60/486848760.db2.gz WKPNQIZKFXZKLC-CALCHBBNSA-N 2 2 331.508 1.820 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000671373103 486844466 /nfs/dbraw/zinc/84/44/66/486844466.db2.gz ZMPALVAYWTTYNB-UHFFFAOYSA-N 2 2 349.479 1.162 20 0 EDADLP COc1ccc(-c2nc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)cs2)cc1 ZINC000680815055 486859225 /nfs/dbraw/zinc/85/92/25/486859225.db2.gz JGIUXPLQUDDFFY-QGZVFWFLSA-N 2 2 333.457 1.975 20 0 EDADLP COc1ccc(-c2nc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)cs2)cc1 ZINC000680815055 486859229 /nfs/dbraw/zinc/85/92/29/486859229.db2.gz JGIUXPLQUDDFFY-QGZVFWFLSA-N 2 2 333.457 1.975 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667635192 486890343 /nfs/dbraw/zinc/89/03/43/486890343.db2.gz LECOSZSMGYQQMV-KGLIPLIRSA-N 2 2 346.431 1.267 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3c(n2)OCCO3)CC1 ZINC000667748899 486947949 /nfs/dbraw/zinc/94/79/49/486947949.db2.gz LRQKVOHDFQLABG-UHFFFAOYSA-N 2 2 349.435 1.000 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000681216589 486976294 /nfs/dbraw/zinc/97/62/94/486976294.db2.gz HTEWRIWCXYETKI-QGZVFWFLSA-N 2 2 345.491 1.783 20 0 EDADLP CC[N@@H+]1CCN([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000677196371 487007120 /nfs/dbraw/zinc/00/71/20/487007120.db2.gz SHMNTUXQIPPQOA-DLBZAZTESA-N 2 2 345.491 1.145 20 0 EDADLP CC[N@H+]1CCN([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000677196371 487007124 /nfs/dbraw/zinc/00/71/24/487007124.db2.gz SHMNTUXQIPPQOA-DLBZAZTESA-N 2 2 345.491 1.145 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)[NH+]1CCCCCC1 ZINC000673470019 487011152 /nfs/dbraw/zinc/01/11/52/487011152.db2.gz UUKVNZYNDONZBU-HZPDHXFCSA-N 2 2 349.479 1.662 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+]1CCCCCC1 ZINC000673470019 487011155 /nfs/dbraw/zinc/01/11/55/487011155.db2.gz UUKVNZYNDONZBU-HZPDHXFCSA-N 2 2 349.479 1.662 20 0 EDADLP CN(C(=O)NCC1(C(F)F)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684286997 487013551 /nfs/dbraw/zinc/01/35/51/487013551.db2.gz AGLKKVCTQQMGAU-AWEZNQCLSA-N 2 2 344.450 1.842 20 0 EDADLP CN(C(=O)NCC1(C(F)F)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684286997 487013553 /nfs/dbraw/zinc/01/35/53/487013553.db2.gz AGLKKVCTQQMGAU-AWEZNQCLSA-N 2 2 344.450 1.842 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000677218947 487013694 /nfs/dbraw/zinc/01/36/94/487013694.db2.gz OBMOIEJYESBGAU-CQSZACIVSA-N 2 2 341.415 1.363 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000677218947 487013698 /nfs/dbraw/zinc/01/36/98/487013698.db2.gz OBMOIEJYESBGAU-CQSZACIVSA-N 2 2 341.415 1.363 20 0 EDADLP CC[NH+]1CCN(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)CC1 ZINC000673649472 487076310 /nfs/dbraw/zinc/07/63/10/487076310.db2.gz ZAAVANHXEOQIAZ-UHFFFAOYSA-N 2 2 341.459 1.434 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1Cc1ccccc1 ZINC000671927555 487156463 /nfs/dbraw/zinc/15/64/63/487156463.db2.gz DOJIBSKNHNZAFR-ZWKOTPCHSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1Cc1ccccc1 ZINC000671927555 487156465 /nfs/dbraw/zinc/15/64/65/487156465.db2.gz DOJIBSKNHNZAFR-ZWKOTPCHSA-N 2 2 338.455 1.831 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)NCC[NH+]2Cc3ccccc3C2)CCSC1 ZINC000673975136 487174125 /nfs/dbraw/zinc/17/41/25/487174125.db2.gz DDZHOERRPAKKPW-SFHVURJKSA-N 2 2 348.516 1.739 20 0 EDADLP CC[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000684897156 487189628 /nfs/dbraw/zinc/18/96/28/487189628.db2.gz FBSXDSJXABOFCI-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000684897156 487189633 /nfs/dbraw/zinc/18/96/33/487189633.db2.gz FBSXDSJXABOFCI-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc4cnccc4c3)C2)CC1 ZINC000684969397 487202395 /nfs/dbraw/zinc/20/23/95/487202395.db2.gz WETYIWQNURVCAY-MRXNPFEDSA-N 2 2 339.443 1.528 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc4cnccc4c3)C2)CC1 ZINC000684969397 487202398 /nfs/dbraw/zinc/20/23/98/487202398.db2.gz WETYIWQNURVCAY-MRXNPFEDSA-N 2 2 339.443 1.528 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000678076030 487241805 /nfs/dbraw/zinc/24/18/05/487241805.db2.gz JWKBCQVGDJBYJV-CQSZACIVSA-N 2 2 325.478 1.907 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000678076030 487241810 /nfs/dbraw/zinc/24/18/10/487241810.db2.gz JWKBCQVGDJBYJV-CQSZACIVSA-N 2 2 325.478 1.907 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000678080366 487243665 /nfs/dbraw/zinc/24/36/65/487243665.db2.gz ASFCPSRQBLAUCM-PVAVHDDUSA-N 2 2 332.448 1.403 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000678080366 487243669 /nfs/dbraw/zinc/24/36/69/487243669.db2.gz ASFCPSRQBLAUCM-PVAVHDDUSA-N 2 2 332.448 1.403 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cn1 ZINC000674383598 487249066 /nfs/dbraw/zinc/24/90/66/487249066.db2.gz ADMABYXCVHVJNV-UHFFFAOYSA-N 2 2 331.424 1.579 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000674383598 487249070 /nfs/dbraw/zinc/24/90/70/487249070.db2.gz ADMABYXCVHVJNV-UHFFFAOYSA-N 2 2 331.424 1.579 20 0 EDADLP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058268216 487349019 /nfs/dbraw/zinc/34/90/19/487349019.db2.gz DDZIVHUEIHMLJV-LISAXSMJSA-N 2 2 333.476 1.903 20 0 EDADLP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058268216 487349024 /nfs/dbraw/zinc/34/90/24/487349024.db2.gz DDZIVHUEIHMLJV-LISAXSMJSA-N 2 2 333.476 1.903 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3cccnc3)C2)CC1 ZINC000679231514 487404015 /nfs/dbraw/zinc/40/40/15/487404015.db2.gz FQUREGVCPWBJEH-MRXNPFEDSA-N 2 2 330.476 1.644 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)c3cccnc3)C2)CC1 ZINC000679231514 487404017 /nfs/dbraw/zinc/40/40/17/487404017.db2.gz FQUREGVCPWBJEH-MRXNPFEDSA-N 2 2 330.476 1.644 20 0 EDADLP COC1CC[NH+](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000679313062 487411613 /nfs/dbraw/zinc/41/16/13/487411613.db2.gz LRGKUMVSJQRQMM-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC000679489536 487430876 /nfs/dbraw/zinc/43/08/76/487430876.db2.gz BNJBOYZOKLELKG-XHSDSOJGSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC000679489536 487430879 /nfs/dbraw/zinc/43/08/79/487430879.db2.gz BNJBOYZOKLELKG-XHSDSOJGSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000675912929 487458949 /nfs/dbraw/zinc/45/89/49/487458949.db2.gz NQHFPDZOMMGEHC-CJNGLKHVSA-N 2 2 329.510 1.261 20 0 EDADLP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000675912929 487458952 /nfs/dbraw/zinc/45/89/52/487458952.db2.gz NQHFPDZOMMGEHC-CJNGLKHVSA-N 2 2 329.510 1.261 20 0 EDADLP CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668227999 485484834 /nfs/dbraw/zinc/48/48/34/485484834.db2.gz ZOYMBICLUHOONJ-AWEZNQCLSA-N 2 2 328.420 1.503 20 0 EDADLP CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668227999 485484838 /nfs/dbraw/zinc/48/48/38/485484838.db2.gz ZOYMBICLUHOONJ-AWEZNQCLSA-N 2 2 328.420 1.503 20 0 EDADLP CCn1nncc1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000669540756 485525443 /nfs/dbraw/zinc/52/54/43/485525443.db2.gz SRPBRFDNGIGONH-OAHLLOKOSA-N 2 2 328.420 1.415 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000668992980 485530318 /nfs/dbraw/zinc/53/03/18/485530318.db2.gz RVOUOMDQTMNOEK-RBSFLKMASA-N 2 2 327.432 1.564 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669719331 485538378 /nfs/dbraw/zinc/53/83/78/485538378.db2.gz NRZTYUBQKUTPOT-HNNXBMFYSA-N 2 2 343.431 1.910 20 0 EDADLP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670985397 485608911 /nfs/dbraw/zinc/60/89/11/485608911.db2.gz SIGAJGIKUSMELK-ABHNRTSZSA-N 2 2 337.508 1.868 20 0 EDADLP CC1CCC(NC(=O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670985397 485608920 /nfs/dbraw/zinc/60/89/20/485608920.db2.gz SIGAJGIKUSMELK-ABHNRTSZSA-N 2 2 337.508 1.868 20 0 EDADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000672146988 485857245 /nfs/dbraw/zinc/85/72/45/485857245.db2.gz FVVHCAJWMIILIT-WMZOPIPTSA-N 2 2 340.427 1.215 20 0 EDADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000672146988 485857250 /nfs/dbraw/zinc/85/72/50/485857250.db2.gz FVVHCAJWMIILIT-WMZOPIPTSA-N 2 2 340.427 1.215 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000671205096 485920926 /nfs/dbraw/zinc/92/09/26/485920926.db2.gz ADNINNVRFYJGMV-HOTGVXAUSA-N 2 2 335.452 1.086 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000671205096 485920932 /nfs/dbraw/zinc/92/09/32/485920932.db2.gz ADNINNVRFYJGMV-HOTGVXAUSA-N 2 2 335.452 1.086 20 0 EDADLP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000236685510 485931792 /nfs/dbraw/zinc/93/17/92/485931792.db2.gz HADDMVKGJSKSCZ-IXDOHACOSA-N 2 2 331.460 1.472 20 0 EDADLP CC(C)(C)[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000236685510 485931799 /nfs/dbraw/zinc/93/17/99/485931799.db2.gz HADDMVKGJSKSCZ-IXDOHACOSA-N 2 2 331.460 1.472 20 0 EDADLP CN(C(=O)c1c(Cl)cnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617422 485956520 /nfs/dbraw/zinc/95/65/20/485956520.db2.gz KQTWGGOEWXMHEG-CYBMUJFWSA-N 2 2 339.871 1.314 20 0 EDADLP CN(C(=O)c1c(Cl)cnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617422 485956527 /nfs/dbraw/zinc/95/65/27/485956527.db2.gz KQTWGGOEWXMHEG-CYBMUJFWSA-N 2 2 339.871 1.314 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnn1C(F)F ZINC000668687028 486045729 /nfs/dbraw/zinc/04/57/29/486045729.db2.gz FENRYBIXEFSNSA-UHFFFAOYSA-N 2 2 329.395 1.376 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnn1C(F)F ZINC000668687028 486045734 /nfs/dbraw/zinc/04/57/34/486045734.db2.gz FENRYBIXEFSNSA-UHFFFAOYSA-N 2 2 329.395 1.376 20 0 EDADLP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CC[NH+](C)CC1 ZINC000672009931 486053667 /nfs/dbraw/zinc/05/36/67/486053667.db2.gz KPIFOTXSRCCKCX-DZGCQCFKSA-N 2 2 347.463 1.310 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000515171310 486057935 /nfs/dbraw/zinc/05/79/35/486057935.db2.gz OOPBNPDBOSSLJM-DGCLKSJQSA-N 2 2 344.242 1.616 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3Cl)CCN2C1=O ZINC000515171310 486057939 /nfs/dbraw/zinc/05/79/39/486057939.db2.gz OOPBNPDBOSSLJM-DGCLKSJQSA-N 2 2 344.242 1.616 20 0 EDADLP COc1c(N)[nH+]cnc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397579511 486059123 /nfs/dbraw/zinc/05/91/23/486059123.db2.gz DJQLLYUGTDTORG-UHFFFAOYSA-N 2 2 327.432 1.813 20 0 EDADLP COc1c(N)nc[nH+]c1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397579511 486059128 /nfs/dbraw/zinc/05/91/28/486059128.db2.gz DJQLLYUGTDTORG-UHFFFAOYSA-N 2 2 327.432 1.813 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000516174038 486062628 /nfs/dbraw/zinc/06/26/28/486062628.db2.gz CXWQHHITKRYRRX-DLBZAZTESA-N 2 2 345.491 1.807 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000516174038 486062635 /nfs/dbraw/zinc/06/26/35/486062635.db2.gz CXWQHHITKRYRRX-DLBZAZTESA-N 2 2 345.491 1.807 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000670787018 486218659 /nfs/dbraw/zinc/21/86/59/486218659.db2.gz GYWDPUISVUGXMI-UHFFFAOYSA-N 2 2 338.415 1.509 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOc2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000668870498 486282040 /nfs/dbraw/zinc/28/20/40/486282040.db2.gz YHGNMAMHDONTHT-KRWDZBQOSA-N 2 2 342.443 1.503 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000668870498 486282045 /nfs/dbraw/zinc/28/20/45/486282045.db2.gz YHGNMAMHDONTHT-KRWDZBQOSA-N 2 2 342.443 1.503 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000668873853 486285635 /nfs/dbraw/zinc/28/56/35/486285635.db2.gz IJATVNFMMUCXIE-JKSUJKDBSA-N 2 2 327.432 1.951 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000670075544 486598597 /nfs/dbraw/zinc/59/85/97/486598597.db2.gz XCAWISZIYKSMGV-INIZCTEOSA-N 2 2 341.459 1.864 20 0 EDADLP COc1ncc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000671295612 486640655 /nfs/dbraw/zinc/64/06/55/486640655.db2.gz ICCBDYXKANRFHP-LLVKDONJSA-N 2 2 326.828 1.168 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000517514707 486649591 /nfs/dbraw/zinc/64/95/91/486649591.db2.gz DRHXWOOFKKCEIT-RBSFLKMASA-N 2 2 335.452 1.545 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000517514707 486649593 /nfs/dbraw/zinc/64/95/93/486649593.db2.gz DRHXWOOFKKCEIT-RBSFLKMASA-N 2 2 335.452 1.545 20 0 EDADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000659039972 491005564 /nfs/dbraw/zinc/00/55/64/491005564.db2.gz CXBRPWCKYDXGEY-WMLDXEAASA-N 2 2 341.415 1.750 20 0 EDADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000659039972 491005565 /nfs/dbraw/zinc/00/55/65/491005565.db2.gz CXBRPWCKYDXGEY-WMLDXEAASA-N 2 2 341.415 1.750 20 0 EDADLP CN(CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc[nH+]cc1 ZINC000679409374 491011154 /nfs/dbraw/zinc/01/11/54/491011154.db2.gz ZTOBATNFSVIOES-INIZCTEOSA-N 3 2 345.491 1.193 20 0 EDADLP CN(CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cc[nH+]cc1 ZINC000679409374 491011156 /nfs/dbraw/zinc/01/11/56/491011156.db2.gz ZTOBATNFSVIOES-INIZCTEOSA-N 3 2 345.491 1.193 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592487252 491018702 /nfs/dbraw/zinc/01/87/02/491018702.db2.gz SDFNMNFWCOAYIA-KBXCAEBGSA-N 2 2 336.480 1.609 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592487252 491018703 /nfs/dbraw/zinc/01/87/03/491018703.db2.gz SDFNMNFWCOAYIA-KBXCAEBGSA-N 2 2 336.480 1.609 20 0 EDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H](C)[NH+](C)C)cc2)CC1 ZINC000079991421 491169333 /nfs/dbraw/zinc/16/93/33/491169333.db2.gz VTZUUDBDBVSLIF-HNNXBMFYSA-N 2 2 346.475 1.282 20 0 EDADLP C[C@H](CCc1ccco1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022948 534000940 /nfs/dbraw/zinc/00/09/40/534000940.db2.gz GXJWDVVWKKFNHJ-CVEARBPZSA-N 2 2 335.448 1.123 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000178112812 534292242 /nfs/dbraw/zinc/29/22/42/534292242.db2.gz NQBMUASNSZJDQA-YOEHRIQHSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000178112812 534292245 /nfs/dbraw/zinc/29/22/45/534292245.db2.gz NQBMUASNSZJDQA-YOEHRIQHSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000178112812 534292248 /nfs/dbraw/zinc/29/22/48/534292248.db2.gz NQBMUASNSZJDQA-YOEHRIQHSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000178112812 534292249 /nfs/dbraw/zinc/29/22/49/534292249.db2.gz NQBMUASNSZJDQA-YOEHRIQHSA-N 2 2 345.443 1.828 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000567717457 518043333 /nfs/dbraw/zinc/04/33/33/518043333.db2.gz OIJNZOKULBADRC-UHFFFAOYSA-N 2 2 344.459 1.754 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000186861585 534333039 /nfs/dbraw/zinc/33/30/39/534333039.db2.gz KBRCUYYSZSQUTF-UHFFFAOYSA-N 2 2 347.463 1.203 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000186861585 534333046 /nfs/dbraw/zinc/33/30/46/534333046.db2.gz KBRCUYYSZSQUTF-UHFFFAOYSA-N 2 2 347.463 1.203 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000179605347 534674819 /nfs/dbraw/zinc/67/48/19/534674819.db2.gz ZFQUYZNWANYXTM-MRXNPFEDSA-N 2 2 344.459 1.698 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000179605347 534674823 /nfs/dbraw/zinc/67/48/23/534674823.db2.gz ZFQUYZNWANYXTM-MRXNPFEDSA-N 2 2 344.459 1.698 20 0 EDADLP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000177862704 534849332 /nfs/dbraw/zinc/84/93/32/534849332.db2.gz LODBCBNNLKLBEO-HNNXBMFYSA-N 2 2 343.479 1.381 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339633405 534908726 /nfs/dbraw/zinc/90/87/26/534908726.db2.gz PBLLKNPHKHEHOM-UHFFFAOYSA-N 2 2 349.479 1.144 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174901594 528142423 /nfs/dbraw/zinc/14/24/23/528142423.db2.gz PXIDXDSXLYQJRF-GOSISDBHSA-N 2 2 338.540 1.785 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174901594 528142441 /nfs/dbraw/zinc/14/24/41/528142441.db2.gz PXIDXDSXLYQJRF-GOSISDBHSA-N 2 2 338.540 1.785 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000347512788 535045376 /nfs/dbraw/zinc/04/53/76/535045376.db2.gz LHUANFYAYRBOKM-FMKPAKJESA-N 2 2 334.464 1.829 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000332932007 535112770 /nfs/dbraw/zinc/11/27/70/535112770.db2.gz GRAHNSSMIXTNIS-HOTGVXAUSA-N 2 2 349.479 1.102 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000332932007 535112773 /nfs/dbraw/zinc/11/27/73/535112773.db2.gz GRAHNSSMIXTNIS-HOTGVXAUSA-N 2 2 349.479 1.102 20 0 EDADLP CCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369767 535132777 /nfs/dbraw/zinc/13/27/77/535132777.db2.gz YDMOSFGOGMZUNQ-ROUUACIJSA-N 2 2 338.540 1.783 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000246129143 535262842 /nfs/dbraw/zinc/26/28/42/535262842.db2.gz DZONSNLVJHYZLI-HOTGVXAUSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000246129143 535262846 /nfs/dbraw/zinc/26/28/46/535262846.db2.gz DZONSNLVJHYZLI-HOTGVXAUSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000246129143 535262849 /nfs/dbraw/zinc/26/28/49/535262849.db2.gz DZONSNLVJHYZLI-HOTGVXAUSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000246129143 535262854 /nfs/dbraw/zinc/26/28/54/535262854.db2.gz DZONSNLVJHYZLI-HOTGVXAUSA-N 2 2 333.480 1.579 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCCc2ccccc2OC)CC1 ZINC000077250070 535457165 /nfs/dbraw/zinc/45/71/65/535457165.db2.gz YVQMKXKMYZLERW-UHFFFAOYSA-N 2 2 333.476 1.770 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCCc2ccccc2OC)CC1 ZINC000077250070 535457166 /nfs/dbraw/zinc/45/71/66/535457166.db2.gz YVQMKXKMYZLERW-UHFFFAOYSA-N 2 2 333.476 1.770 20 0 EDADLP CC[C@@H](C)NC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352713069 535574700 /nfs/dbraw/zinc/57/47/00/535574700.db2.gz GSACSBWHEKFQLM-GOSISDBHSA-N 2 2 346.519 1.651 20 0 EDADLP CC[C@@H](C)NC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352713069 535574705 /nfs/dbraw/zinc/57/47/05/535574705.db2.gz GSACSBWHEKFQLM-GOSISDBHSA-N 2 2 346.519 1.651 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1([NH3+])CCOCC1 ZINC000261889298 535702643 /nfs/dbraw/zinc/70/26/43/535702643.db2.gz QHCLYFYLSSVGLJ-UHFFFAOYSA-N 2 2 346.475 1.654 20 0 EDADLP Cn1ccnc1[C@@H]1OCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352731966 536059132 /nfs/dbraw/zinc/05/91/32/536059132.db2.gz LPDHGSKUIKIKNA-UKRRQHHQSA-N 2 2 335.477 1.948 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)s1 ZINC000352754450 536059297 /nfs/dbraw/zinc/05/92/97/536059297.db2.gz IIJFCMDOWVGKOC-SNVBAGLBSA-N 2 2 336.383 1.458 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000346787020 536329670 /nfs/dbraw/zinc/32/96/70/536329670.db2.gz GDDACBQGPHIOAO-ZENOOKHLSA-N 2 2 325.478 1.728 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000346787020 536329673 /nfs/dbraw/zinc/32/96/73/536329673.db2.gz GDDACBQGPHIOAO-ZENOOKHLSA-N 2 2 325.478 1.728 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H]2C(F)F)([NH+]2CCCCC2)CC1 ZINC000347967684 536339245 /nfs/dbraw/zinc/33/92/45/536339245.db2.gz BESLLYZLJTUNCO-UONOGXRCSA-N 2 2 344.450 1.890 20 0 EDADLP C[N@H+](CCCOc1cccc(Cl)c1)CC(=O)N1CC[NH+](C)CC1 ZINC000093159614 536358891 /nfs/dbraw/zinc/35/88/91/536358891.db2.gz FLSYQVFCIJWSEX-UHFFFAOYSA-N 2 2 339.867 1.815 20 0 EDADLP C[N@@H+](CCCOc1cccc(Cl)c1)CC(=O)N1CC[NH+](C)CC1 ZINC000093159614 536358894 /nfs/dbraw/zinc/35/88/94/536358894.db2.gz FLSYQVFCIJWSEX-UHFFFAOYSA-N 2 2 339.867 1.815 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000046943141 536867695 /nfs/dbraw/zinc/86/76/95/536867695.db2.gz FGQMOQFAWZPLLJ-UHFFFAOYSA-N 2 2 347.463 1.024 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[N@@H+]1C ZINC000742200556 579440191 /nfs/dbraw/zinc/44/01/91/579440191.db2.gz ZCSPLCVXFZAYCO-WBVHZDCISA-N 2 2 333.501 1.939 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[N@H+]1C ZINC000742200556 579440192 /nfs/dbraw/zinc/44/01/92/579440192.db2.gz ZCSPLCVXFZAYCO-WBVHZDCISA-N 2 2 333.501 1.939 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000725897067 578301857 /nfs/dbraw/zinc/30/18/57/578301857.db2.gz QCJDIQHGOVSGBB-LSDHHAIUSA-N 2 2 342.443 1.578 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093416776 578306173 /nfs/dbraw/zinc/30/61/73/578306173.db2.gz YOSMDIXXGPDPLT-OAHLLOKOSA-N 2 2 342.505 1.882 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093416776 578306175 /nfs/dbraw/zinc/30/61/75/578306175.db2.gz YOSMDIXXGPDPLT-OAHLLOKOSA-N 2 2 342.505 1.882 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C[C@@H](O)c2ccccc2)nc[nH+]1 ZINC000729920197 578599473 /nfs/dbraw/zinc/59/94/73/578599473.db2.gz KNMJGYQEKLUVFN-JKSUJKDBSA-N 2 2 327.432 1.810 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCS(=O)(=O)CCOC)C1 ZINC000729929364 578604250 /nfs/dbraw/zinc/60/42/50/578604250.db2.gz SNCNZTLQQVQTKW-OAHLLOKOSA-N 2 2 343.493 1.534 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCS(=O)(=O)CCOC)C1 ZINC000729929364 578604251 /nfs/dbraw/zinc/60/42/51/578604251.db2.gz SNCNZTLQQVQTKW-OAHLLOKOSA-N 2 2 343.493 1.534 20 0 EDADLP C[C@@H](CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[NH+]1CCCCC1 ZINC000730064983 578612196 /nfs/dbraw/zinc/61/21/96/578612196.db2.gz UNMROVMRAUQMRQ-INIZCTEOSA-N 2 2 348.495 1.122 20 0 EDADLP COc1cc[nH+]c(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000730259471 578637328 /nfs/dbraw/zinc/63/73/28/578637328.db2.gz XYFKIOLEFRYPOZ-LJQANCHMSA-N 2 2 327.428 1.941 20 0 EDADLP C[NH+]1CCC(CNC(=S)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000760467746 580031423 /nfs/dbraw/zinc/03/14/23/580031423.db2.gz KSUPCNQAWMZFNT-UHFFFAOYSA-N 2 2 336.505 1.614 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000732459554 578713698 /nfs/dbraw/zinc/71/36/98/578713698.db2.gz XAIYLKRZAVAOPS-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000732459554 578713701 /nfs/dbraw/zinc/71/37/01/578713701.db2.gz XAIYLKRZAVAOPS-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000732459554 578713703 /nfs/dbraw/zinc/71/37/03/578713703.db2.gz XAIYLKRZAVAOPS-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP CN(C(=O)/C=C\C1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732659987 578722292 /nfs/dbraw/zinc/72/22/92/578722292.db2.gz ANIXBLHVQLRTLI-JXCVUKRWSA-N 2 2 335.492 1.596 20 0 EDADLP CN(C(=O)/C=C\C1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732659987 578722294 /nfs/dbraw/zinc/72/22/94/578722294.db2.gz ANIXBLHVQLRTLI-JXCVUKRWSA-N 2 2 335.492 1.596 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000732834646 578732437 /nfs/dbraw/zinc/73/24/37/578732437.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 3 2 338.540 1.783 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000732834646 578732438 /nfs/dbraw/zinc/73/24/38/578732438.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 3 2 338.540 1.783 20 0 EDADLP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732834646 578732439 /nfs/dbraw/zinc/73/24/39/578732439.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 3 2 338.540 1.783 20 0 EDADLP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732834646 578732440 /nfs/dbraw/zinc/73/24/40/578732440.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 3 2 338.540 1.783 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000734099216 578798633 /nfs/dbraw/zinc/79/86/33/578798633.db2.gz NTKINUIPVPNGDC-HNNXBMFYSA-N 2 2 347.532 1.729 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)CC[NH+]1CCOCC1)c1c(F)cccc1F ZINC000734443783 578814616 /nfs/dbraw/zinc/81/46/16/578814616.db2.gz ILFWZAJWIZZJDB-OAHLLOKOSA-N 2 2 341.402 1.406 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)C1 ZINC000734486506 578816310 /nfs/dbraw/zinc/81/63/10/578816310.db2.gz COMMJQAMKXCCDR-QAPCUYQASA-N 2 2 339.430 1.710 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)C1 ZINC000734486506 578816312 /nfs/dbraw/zinc/81/63/12/578816312.db2.gz COMMJQAMKXCCDR-QAPCUYQASA-N 2 2 339.430 1.710 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCOc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000736224698 578964810 /nfs/dbraw/zinc/96/48/10/578964810.db2.gz AAXGMJDLPGKLMU-UONOGXRCSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCOc2ccccc2-c2nn[nH]n2)CC[N@H+]1C ZINC000736224698 578964811 /nfs/dbraw/zinc/96/48/11/578964811.db2.gz AAXGMJDLPGKLMU-UONOGXRCSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCOc2ccccc2-c2nn[nH]n2)CC[NH+]1C ZINC000736224698 578964812 /nfs/dbraw/zinc/96/48/12/578964812.db2.gz AAXGMJDLPGKLMU-UONOGXRCSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccccc2-c2nn[nH]n2)CC[NH+]1C ZINC000736224698 578964813 /nfs/dbraw/zinc/96/48/13/578964813.db2.gz AAXGMJDLPGKLMU-UONOGXRCSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000745791070 579562665 /nfs/dbraw/zinc/56/26/65/579562665.db2.gz ICMKMDJYMQNJLT-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000745791070 579562666 /nfs/dbraw/zinc/56/26/66/579562666.db2.gz ICMKMDJYMQNJLT-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000745791070 579562667 /nfs/dbraw/zinc/56/26/67/579562667.db2.gz ICMKMDJYMQNJLT-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000745791070 579562668 /nfs/dbraw/zinc/56/26/68/579562668.db2.gz ICMKMDJYMQNJLT-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)c2ccc(F)cc2C1=O ZINC000746632389 579604217 /nfs/dbraw/zinc/60/42/17/579604217.db2.gz XKHKDKRJOGCLJC-UHFFFAOYSA-N 2 2 330.363 1.906 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)c2ccc(F)cc2C1=O ZINC000746632389 579604218 /nfs/dbraw/zinc/60/42/18/579604218.db2.gz XKHKDKRJOGCLJC-UHFFFAOYSA-N 2 2 330.363 1.906 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC12CCOCC2 ZINC000777536636 580443809 /nfs/dbraw/zinc/44/38/09/580443809.db2.gz FTUZTQMPUXFMAV-KRWDZBQOSA-N 2 2 335.492 1.781 20 0 EDADLP O=C1N(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCC12CCOCC2 ZINC000777536636 580443810 /nfs/dbraw/zinc/44/38/10/580443810.db2.gz FTUZTQMPUXFMAV-KRWDZBQOSA-N 2 2 335.492 1.781 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000748747740 579699123 /nfs/dbraw/zinc/69/91/23/579699123.db2.gz VBCRUDCHZWCBKD-UHFFFAOYSA-N 2 2 342.447 1.023 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c1 ZINC000750852440 579783975 /nfs/dbraw/zinc/78/39/75/579783975.db2.gz KWEGXDGTVLVATQ-UHFFFAOYSA-N 2 2 331.460 1.362 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753677872 579884878 /nfs/dbraw/zinc/88/48/78/579884878.db2.gz WXUDNPGQDUSZAU-CABCVRRESA-N 2 2 333.505 1.609 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=S)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753677872 579884879 /nfs/dbraw/zinc/88/48/79/579884879.db2.gz WXUDNPGQDUSZAU-CABCVRRESA-N 2 2 333.505 1.609 20 0 EDADLP CSCCNC(=S)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000755395495 579926539 /nfs/dbraw/zinc/92/65/39/579926539.db2.gz AGTHYZCYXBERTN-YIONKMFJSA-N 2 2 342.578 1.467 20 0 EDADLP CSCCNC(=S)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000755395495 579926540 /nfs/dbraw/zinc/92/65/40/579926540.db2.gz AGTHYZCYXBERTN-YIONKMFJSA-N 2 2 342.578 1.467 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@@H](C3CC3)CC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763329943 580097912 /nfs/dbraw/zinc/09/79/12/580097912.db2.gz ALYWUXHVJOWVRH-NJAFHUGGSA-N 2 2 334.508 1.160 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@@H](C3CC3)CC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763329943 580097913 /nfs/dbraw/zinc/09/79/13/580097913.db2.gz ALYWUXHVJOWVRH-NJAFHUGGSA-N 2 2 334.508 1.160 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000767757106 580198756 /nfs/dbraw/zinc/19/87/56/580198756.db2.gz VOUPWEQEYSJSFF-UHFFFAOYSA-N 2 2 347.419 1.286 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)C(=O)N(C2CCCCC2)C1=O ZINC000767757106 580198757 /nfs/dbraw/zinc/19/87/57/580198757.db2.gz VOUPWEQEYSJSFF-UHFFFAOYSA-N 2 2 347.419 1.286 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000771661186 580291949 /nfs/dbraw/zinc/29/19/49/580291949.db2.gz LSFRTAQCIXFHMB-UHFFFAOYSA-N 2 2 335.496 1.504 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000771661186 580291950 /nfs/dbraw/zinc/29/19/50/580291950.db2.gz LSFRTAQCIXFHMB-UHFFFAOYSA-N 2 2 335.496 1.504 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000772611535 580316734 /nfs/dbraw/zinc/31/67/34/580316734.db2.gz YTZDXKWDHOIZNX-JKSUJKDBSA-N 2 2 342.443 1.714 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000772611535 580316735 /nfs/dbraw/zinc/31/67/35/580316735.db2.gz YTZDXKWDHOIZNX-JKSUJKDBSA-N 2 2 342.443 1.714 20 0 EDADLP Cc1ncc(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000772623700 580316959 /nfs/dbraw/zinc/31/69/59/580316959.db2.gz OPFMWEMFTPDPLR-UHFFFAOYSA-N 2 2 339.509 1.319 20 0 EDADLP COC(=O)c1ncn(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000773336982 580334545 /nfs/dbraw/zinc/33/45/45/580334545.db2.gz CYGDFRUGHFNFPD-UHFFFAOYSA-N 2 2 331.376 1.269 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CN2C[C@@]3(CCOC3)CC2=O)CC1 ZINC000773342994 580334812 /nfs/dbraw/zinc/33/48/12/580334812.db2.gz YBMGEWYMOAAPOI-LJQANCHMSA-N 2 2 345.443 1.830 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000776042381 580406767 /nfs/dbraw/zinc/40/67/67/580406767.db2.gz SSKJAQMCWNLNSS-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000776042381 580406768 /nfs/dbraw/zinc/40/67/68/580406768.db2.gz SSKJAQMCWNLNSS-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000776042381 580406769 /nfs/dbraw/zinc/40/67/69/580406769.db2.gz SSKJAQMCWNLNSS-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000776042381 580406770 /nfs/dbraw/zinc/40/67/70/580406770.db2.gz SSKJAQMCWNLNSS-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000779562554 580489539 /nfs/dbraw/zinc/48/95/39/580489539.db2.gz KIMWTOJTSJIZKQ-OAHLLOKOSA-N 2 2 339.355 1.040 20 0 EDADLP COC(=O)c1cncc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000782350704 580572666 /nfs/dbraw/zinc/57/26/66/580572666.db2.gz RTRGWSNYJLXIQV-UHFFFAOYSA-N 2 2 347.463 1.625 20 0 EDADLP CN(C(=O)c1c[nH]nc1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000789761287 580752928 /nfs/dbraw/zinc/75/29/28/580752928.db2.gz FMHYVRJPBDMKFD-HNNXBMFYSA-N 2 2 331.464 1.528 20 0 EDADLP CN(C(=O)c1c[nH]nc1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000789761287 580752929 /nfs/dbraw/zinc/75/29/29/580752929.db2.gz FMHYVRJPBDMKFD-HNNXBMFYSA-N 2 2 331.464 1.528 20 0 EDADLP CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000792233273 580814474 /nfs/dbraw/zinc/81/44/74/580814474.db2.gz ZDMPDJKISUEKAY-KRWDZBQOSA-N 2 2 329.400 1.945 20 0 EDADLP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000792233273 580814475 /nfs/dbraw/zinc/81/44/75/580814475.db2.gz ZDMPDJKISUEKAY-KRWDZBQOSA-N 2 2 329.400 1.945 20 0 EDADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000796356067 580951957 /nfs/dbraw/zinc/95/19/57/580951957.db2.gz LBNJZDGSYWIHQA-MRXNPFEDSA-N 2 2 335.839 1.385 20 0 EDADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000796356067 580951958 /nfs/dbraw/zinc/95/19/58/580951958.db2.gz LBNJZDGSYWIHQA-MRXNPFEDSA-N 2 2 335.839 1.385 20 0 EDADLP O[C@H](C[N@H+](CCc1ccccn1)Cc1cccnc1)C[NH+]1CCCC1 ZINC000797531493 580977209 /nfs/dbraw/zinc/97/72/09/580977209.db2.gz YZYNLWPULFKOLI-FQEVSTJZSA-N 2 2 340.471 1.978 20 0 EDADLP O[C@H](C[N@@H+](CCc1ccccn1)Cc1cccnc1)C[NH+]1CCCC1 ZINC000797531493 580977210 /nfs/dbraw/zinc/97/72/10/580977210.db2.gz YZYNLWPULFKOLI-FQEVSTJZSA-N 2 2 340.471 1.978 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000798144034 580988309 /nfs/dbraw/zinc/98/83/09/580988309.db2.gz STNHHPPSAZDHCV-OAHLLOKOSA-N 2 2 331.420 1.090 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000893051127 590635170 /nfs/dbraw/zinc/63/51/70/590635170.db2.gz RBDZZZXXCYHMIW-ZBFHGGJFSA-N 2 2 337.468 1.356 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000893051127 590635173 /nfs/dbraw/zinc/63/51/73/590635173.db2.gz RBDZZZXXCYHMIW-ZBFHGGJFSA-N 2 2 337.468 1.356 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@]2(C)C1 ZINC000891829433 590641151 /nfs/dbraw/zinc/64/11/51/590641151.db2.gz LGULTLCXMZACCM-APWZRJJASA-N 2 2 343.475 1.775 20 0 EDADLP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@]2(C)C1 ZINC000891829433 590641156 /nfs/dbraw/zinc/64/11/56/590641156.db2.gz LGULTLCXMZACCM-APWZRJJASA-N 2 2 343.475 1.775 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cnc3n2CCOC3)CC1 ZINC000891845538 590651983 /nfs/dbraw/zinc/65/19/83/590651983.db2.gz QFCZBVDRJWPVHT-IRXDYDNUSA-N 2 2 347.507 1.404 20 0 EDADLP [NH3+][C@H](CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000891905944 590681415 /nfs/dbraw/zinc/68/14/15/590681415.db2.gz JUFCHTWXETUEJN-CABCVRRESA-N 2 2 327.432 1.526 20 0 EDADLP [NH3+][C@H](CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000891905944 590681419 /nfs/dbraw/zinc/68/14/19/590681419.db2.gz JUFCHTWXETUEJN-CABCVRRESA-N 2 2 327.432 1.526 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000891984101 590725459 /nfs/dbraw/zinc/72/54/59/590725459.db2.gz QGWCRZXFBONAHE-AWEZNQCLSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000891984101 590725462 /nfs/dbraw/zinc/72/54/62/590725462.db2.gz QGWCRZXFBONAHE-AWEZNQCLSA-N 2 2 327.432 1.926 20 0 EDADLP CCc1nnc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000893259303 590739813 /nfs/dbraw/zinc/73/98/13/590739813.db2.gz DQDJSOXQBAXUKH-LBPRGKRZSA-N 2 2 327.498 1.283 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000892019702 590750431 /nfs/dbraw/zinc/75/04/31/590750431.db2.gz RIXHDOFLJIDMBS-ROUUACIJSA-N 2 2 348.491 1.478 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000892019702 590750435 /nfs/dbraw/zinc/75/04/35/590750435.db2.gz RIXHDOFLJIDMBS-ROUUACIJSA-N 2 2 348.491 1.478 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)[nH+]c12 ZINC000893382136 590820849 /nfs/dbraw/zinc/82/08/49/590820849.db2.gz NBVKSYQAWTTYLU-HOCLYGCPSA-N 2 2 327.432 1.531 20 0 EDADLP CCc1cc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nc(CC)[nH+]1 ZINC000892263334 590896526 /nfs/dbraw/zinc/89/65/26/590896526.db2.gz VIJWBWSBAANCGC-OAHLLOKOSA-N 2 2 333.480 1.956 20 0 EDADLP CCc1cc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)nc(CC)[nH+]1 ZINC000892263334 590896529 /nfs/dbraw/zinc/89/65/29/590896529.db2.gz VIJWBWSBAANCGC-OAHLLOKOSA-N 2 2 333.480 1.956 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892483630 591043545 /nfs/dbraw/zinc/04/35/45/591043545.db2.gz SAHHFQCICYXRLN-PMPSAXMXSA-N 2 2 338.496 1.269 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c[nH+]1 ZINC000891346807 591053185 /nfs/dbraw/zinc/05/31/85/591053185.db2.gz DKBJCQHUUDCPAL-QGZVFWFLSA-N 2 2 341.459 1.907 20 0 EDADLP OC1CC[NH+](CCC[NH2+]Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000892669883 591120376 /nfs/dbraw/zinc/12/03/76/591120376.db2.gz MIOGSSYXORROQG-UHFFFAOYSA-N 2 2 329.448 1.263 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000891561627 591126013 /nfs/dbraw/zinc/12/60/13/591126013.db2.gz WXMYIQUJZFDNGQ-INIZCTEOSA-N 3 2 339.528 1.315 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000891561627 591126015 /nfs/dbraw/zinc/12/60/15/591126015.db2.gz WXMYIQUJZFDNGQ-INIZCTEOSA-N 3 2 339.528 1.315 20 0 EDADLP CCN(C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000891565090 591127906 /nfs/dbraw/zinc/12/79/06/591127906.db2.gz KUMIBUPERTZQMM-SWLSCSKDSA-N 2 2 340.418 1.961 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000893922555 591138967 /nfs/dbraw/zinc/13/89/67/591138967.db2.gz GRKJSJIPMWJMLG-JKSUJKDBSA-N 2 2 349.385 1.943 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000893922555 591138971 /nfs/dbraw/zinc/13/89/71/591138971.db2.gz GRKJSJIPMWJMLG-JKSUJKDBSA-N 2 2 349.385 1.943 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000893959874 591149744 /nfs/dbraw/zinc/14/97/44/591149744.db2.gz MQSGINBHRGAJCT-GDBMZVCRSA-N 2 2 341.496 1.726 20 0 EDADLP CC[C@@H](CO)Nc1cc(NCCN2CCC([NH+](C)C)CC2)nc[nH+]1 ZINC000892815531 591191504 /nfs/dbraw/zinc/19/15/04/591191504.db2.gz DAEPZUYFBSXOEC-AWEZNQCLSA-N 2 2 336.484 1.097 20 0 EDADLP CC1(C)CC[N@H+](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000891704504 591193149 /nfs/dbraw/zinc/19/31/49/591193149.db2.gz AKMOOKWWOANFNA-UHFFFAOYSA-N 2 2 342.447 1.798 20 0 EDADLP CC1(C)CC[N@@H+](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000891704504 591193152 /nfs/dbraw/zinc/19/31/52/591193152.db2.gz AKMOOKWWOANFNA-UHFFFAOYSA-N 2 2 342.447 1.798 20 0 EDADLP Cc1ncoc1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000894210751 591231681 /nfs/dbraw/zinc/23/16/81/591231681.db2.gz JNCDRZOEEKPFQI-UHFFFAOYSA-N 2 2 329.404 1.207 20 0 EDADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000895637172 591238081 /nfs/dbraw/zinc/23/80/81/591238081.db2.gz RQVICAKDANURAO-QGZVFWFLSA-N 2 2 349.475 1.868 20 0 EDADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000895637172 591238083 /nfs/dbraw/zinc/23/80/83/591238083.db2.gz RQVICAKDANURAO-QGZVFWFLSA-N 2 2 349.475 1.868 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC34CC[NH+](C)CC4)C2)CC1 ZINC000893025202 591257033 /nfs/dbraw/zinc/25/70/33/591257033.db2.gz YQOMVWWJUVWRGT-MRXNPFEDSA-N 3 2 349.523 1.035 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC34CC[NH+](C)CC4)C2)CC1 ZINC000893025202 591257035 /nfs/dbraw/zinc/25/70/35/591257035.db2.gz YQOMVWWJUVWRGT-MRXNPFEDSA-N 3 2 349.523 1.035 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2I)CC[N@@H+]1C ZINC000894313973 591275397 /nfs/dbraw/zinc/27/53/97/591275397.db2.gz ZCFXCGRHSGRDLH-ONGXEEELSA-N 2 2 348.232 1.597 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2I)CC[N@H+]1C ZINC000894313973 591275398 /nfs/dbraw/zinc/27/53/98/591275398.db2.gz ZCFXCGRHSGRDLH-ONGXEEELSA-N 2 2 348.232 1.597 20 0 EDADLP Nc1nc(NCC2CC[NH+](C3CCOCC3)CC2)nc(C2CC2)[nH+]1 ZINC000894480200 591322529 /nfs/dbraw/zinc/32/25/29/591322529.db2.gz VKEXOZYKGHGHSE-UHFFFAOYSA-N 2 2 332.452 1.634 20 0 EDADLP Cc1cn(C(C)(C)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c[nH+]1 ZINC000896151840 591364527 /nfs/dbraw/zinc/36/45/27/591364527.db2.gz HZJSSLIHMQPZQW-UHFFFAOYSA-N 2 2 346.435 1.094 20 0 EDADLP C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000897440114 591452744 /nfs/dbraw/zinc/45/27/44/591452744.db2.gz NFLRDXAMCXLHRG-KRWDZBQOSA-N 2 2 332.404 1.010 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897454278 591460525 /nfs/dbraw/zinc/46/05/25/591460525.db2.gz BYSAYIVVFFUVSO-HNNXBMFYSA-N 2 2 331.464 1.563 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897454278 591460528 /nfs/dbraw/zinc/46/05/28/591460528.db2.gz BYSAYIVVFFUVSO-HNNXBMFYSA-N 2 2 331.464 1.563 20 0 EDADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898720626 591484135 /nfs/dbraw/zinc/48/41/35/591484135.db2.gz MMPYYIYBGDTENM-ZJUUUORDSA-N 2 2 325.214 1.230 20 0 EDADLP CO[C@](C)(C[NH+]1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1)C1CC1 ZINC000897573429 591562397 /nfs/dbraw/zinc/56/23/97/591562397.db2.gz ILNDEIPDWGPJJY-QGZVFWFLSA-N 2 2 332.452 1.268 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1 ZINC000898883235 591577040 /nfs/dbraw/zinc/57/70/40/591577040.db2.gz HFWJCFRSKRUARE-MRXNPFEDSA-N 2 2 330.432 1.725 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000898883772 591577649 /nfs/dbraw/zinc/57/76/49/591577649.db2.gz KPUWYDAEMGLEDM-SJORKVTESA-N 2 2 342.443 1.624 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000898883772 591577652 /nfs/dbraw/zinc/57/76/52/591577652.db2.gz KPUWYDAEMGLEDM-SJORKVTESA-N 2 2 342.443 1.624 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1CS(N)(=O)=O ZINC000897609784 591586344 /nfs/dbraw/zinc/58/63/44/591586344.db2.gz LZWOUGODEAEDQG-NEPJUHHUSA-N 2 2 340.474 1.290 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]1CS(N)(=O)=O ZINC000897609784 591586348 /nfs/dbraw/zinc/58/63/48/591586348.db2.gz LZWOUGODEAEDQG-NEPJUHHUSA-N 2 2 340.474 1.290 20 0 EDADLP COC(=O)[C@@H]1[C@H](C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1(F)F ZINC000896724162 591587832 /nfs/dbraw/zinc/58/78/32/591587832.db2.gz VGJOBTUOXWBVAZ-MJBXVCDLSA-N 2 2 327.375 1.718 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCNC(=O)CC2)CCOCC1 ZINC000896872985 591641111 /nfs/dbraw/zinc/64/11/11/591641111.db2.gz HZKOZYZIUFPELG-GOSISDBHSA-N 2 2 345.487 1.926 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CCNC(=O)CC2)CCOCC1 ZINC000896872985 591641112 /nfs/dbraw/zinc/64/11/12/591641112.db2.gz HZKOZYZIUFPELG-GOSISDBHSA-N 2 2 345.487 1.926 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000895291145 591702356 /nfs/dbraw/zinc/70/23/56/591702356.db2.gz HYXJBWHXRQEFQZ-AEFFLSMTSA-N 2 2 341.459 1.607 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000895291145 591702361 /nfs/dbraw/zinc/70/23/61/591702361.db2.gz HYXJBWHXRQEFQZ-AEFFLSMTSA-N 2 2 341.459 1.607 20 0 EDADLP C[C@H](CC[NH2+]Cc1cnn2cc(Br)cnc12)[NH+](C)C ZINC000895292091 591704040 /nfs/dbraw/zinc/70/40/40/591704040.db2.gz MDCVFWHFMVKSAM-SNVBAGLBSA-N 2 2 326.242 1.922 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3C(=O)NCC3(C)C)CC2)cc1 ZINC000895316791 591710168 /nfs/dbraw/zinc/71/01/68/591710168.db2.gz QQSCSBUBAVRWEW-KRWDZBQOSA-N 2 2 330.476 1.836 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000895402399 591743567 /nfs/dbraw/zinc/74/35/67/591743567.db2.gz LYKHKPSYSKVXMG-UHFFFAOYSA-N 2 2 330.432 1.955 20 0 EDADLP CC1(C)CCC[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)O1 ZINC000898049372 591755000 /nfs/dbraw/zinc/75/50/00/591755000.db2.gz YZPWAHDFTQORMD-GOSISDBHSA-N 2 2 339.524 1.720 20 0 EDADLP CC1(C)CCC[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)O1 ZINC000898049372 591755002 /nfs/dbraw/zinc/75/50/02/591755002.db2.gz YZPWAHDFTQORMD-GOSISDBHSA-N 2 2 339.524 1.720 20 0 EDADLP O=C(NCc1ccc(-c2c[nH]c[nH+]2)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898041424 591766413 /nfs/dbraw/zinc/76/64/13/591766413.db2.gz XLYXJKMKZHHNQM-INIZCTEOSA-N 2 2 326.400 1.414 20 0 EDADLP Cc1cn2ccc(C(=O)N[C@H]3C[C@H]([NH+]4CCOCC4)C3(C)C)cc2[nH+]1 ZINC000898207742 591818003 /nfs/dbraw/zinc/81/80/03/591818003.db2.gz QRIJUZTUDLRTEN-HOTGVXAUSA-N 2 2 342.443 1.872 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1-c1[nH]cc[nH+]1)N1CC[NH+](C)CC1 ZINC000909630681 591871427 /nfs/dbraw/zinc/87/14/27/591871427.db2.gz QMKYNKMHRBXEOZ-CQSZACIVSA-N 2 2 327.432 1.329 20 0 EDADLP CCn1cnc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)c1 ZINC000902075814 591908719 /nfs/dbraw/zinc/90/87/19/591908719.db2.gz FJXYQAZDOFCNJO-UHFFFAOYSA-N 2 2 328.464 1.730 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@]12CCCOC2 ZINC000902193841 591941573 /nfs/dbraw/zinc/94/15/73/591941573.db2.gz DKCRUGSKLWQFGZ-SUMDDJOVSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1N(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@]12CCCOC2 ZINC000902193841 591941576 /nfs/dbraw/zinc/94/15/76/591941576.db2.gz DKCRUGSKLWQFGZ-SUMDDJOVSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1N(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@]12CCCOC2 ZINC000902193841 591941579 /nfs/dbraw/zinc/94/15/79/591941579.db2.gz DKCRUGSKLWQFGZ-SUMDDJOVSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1N(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@]12CCCOC2 ZINC000902193841 591941581 /nfs/dbraw/zinc/94/15/81/591941581.db2.gz DKCRUGSKLWQFGZ-SUMDDJOVSA-N 2 2 333.476 1.532 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000900261064 591964264 /nfs/dbraw/zinc/96/42/64/591964264.db2.gz MXRLUEDGABQNCB-UHFFFAOYSA-N 2 2 341.459 1.671 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000900261064 591964266 /nfs/dbraw/zinc/96/42/66/591964266.db2.gz MXRLUEDGABQNCB-UHFFFAOYSA-N 2 2 341.459 1.671 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)CO[NH+]=C(N)Cc2cccnc2)CC1 ZINC000902298881 591970106 /nfs/dbraw/zinc/97/01/06/591970106.db2.gz VZKOVHDSJXUFBA-UHFFFAOYSA-N 2 2 333.436 1.112 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902345482 591977211 /nfs/dbraw/zinc/97/72/11/591977211.db2.gz DGGLEMGRXWNPAC-QAPCUYQASA-N 3 2 340.462 1.970 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2nnc(C3CC3)o2)CC1 ZINC000900339305 591988988 /nfs/dbraw/zinc/98/89/88/591988988.db2.gz NCVAJNQGCFQWEH-UHFFFAOYSA-N 2 2 328.376 1.346 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])CC[NH2+]CC1 ZINC000902434929 591995055 /nfs/dbraw/zinc/99/50/55/591995055.db2.gz QEAFNJWXVVSBIL-KBRIMQKVSA-N 3 2 331.460 1.522 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[NH2+]CC[NH2+]CC2)nc[nH+]1 ZINC000900369362 591998619 /nfs/dbraw/zinc/99/86/19/591998619.db2.gz SDXUHMWTYAOVBE-YJBOKZPZSA-N 3 2 348.495 1.091 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[NH2+]CC[NH2+]CC2)ncn1 ZINC000900369362 591998622 /nfs/dbraw/zinc/99/86/22/591998622.db2.gz SDXUHMWTYAOVBE-YJBOKZPZSA-N 2 2 348.495 1.091 20 0 EDADLP COC(=O)c1cc(Cl)cc(Cl)c1N1CC[NH2+]CC[NH2+]CC1 ZINC000900370260 591999135 /nfs/dbraw/zinc/99/91/35/591999135.db2.gz ZVUIXVJZTDRKSZ-UHFFFAOYSA-N 2 2 332.231 1.779 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902499816 592003213 /nfs/dbraw/zinc/00/32/13/592003213.db2.gz KSQDYOKGDDDYOO-LFEHRJTNSA-N 3 2 331.460 1.599 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc[nH+]c2N2CCCCC2)C1 ZINC000900390474 592004153 /nfs/dbraw/zinc/00/41/53/592004153.db2.gz GATXTDVYYQXLHN-LJQANCHMSA-N 2 2 346.475 1.535 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccc[nH+]c2N2CCCCC2)C1 ZINC000900390474 592004156 /nfs/dbraw/zinc/00/41/56/592004156.db2.gz GATXTDVYYQXLHN-LJQANCHMSA-N 2 2 346.475 1.535 20 0 EDADLP O=S(=O)(Nc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1)C1CC1 ZINC000902514774 592008876 /nfs/dbraw/zinc/00/88/76/592008876.db2.gz PUEAZKJZOAHMHQ-INIZCTEOSA-N 2 2 335.473 1.965 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000900404596 592009056 /nfs/dbraw/zinc/00/90/56/592009056.db2.gz LCNIMHNCUWTQJM-UHFFFAOYSA-N 2 2 339.443 1.952 20 0 EDADLP CNc1nc(C)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900446919 592020017 /nfs/dbraw/zinc/02/00/17/592020017.db2.gz SSFPFEMCDVJCLB-UHFFFAOYSA-N 2 2 345.491 1.720 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900446919 592020020 /nfs/dbraw/zinc/02/00/20/592020020.db2.gz SSFPFEMCDVJCLB-UHFFFAOYSA-N 3 2 345.491 1.720 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(CCc3ccc4c(c3)CCO4)nn2)CC1 ZINC000900547949 592045678 /nfs/dbraw/zinc/04/56/78/592045678.db2.gz ZJZRFOALEYWJDC-UHFFFAOYSA-N 2 2 341.459 1.640 20 0 EDADLP CN(C(=O)OC1COC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000902909336 592083508 /nfs/dbraw/zinc/08/35/08/592083508.db2.gz SDRYKKXJOVDBSG-DLBZAZTESA-N 2 2 339.480 1.791 20 0 EDADLP CN(C(=O)OC1COC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000902909336 592083510 /nfs/dbraw/zinc/08/35/10/592083510.db2.gz SDRYKKXJOVDBSG-DLBZAZTESA-N 2 2 339.480 1.791 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000900660225 592084157 /nfs/dbraw/zinc/08/41/57/592084157.db2.gz RXDBLNGHORAYHY-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000900660225 592084159 /nfs/dbraw/zinc/08/41/59/592084159.db2.gz RXDBLNGHORAYHY-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000900660225 592084160 /nfs/dbraw/zinc/08/41/60/592084160.db2.gz RXDBLNGHORAYHY-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cn(C)nn1 ZINC000902948111 592088920 /nfs/dbraw/zinc/08/89/20/592088920.db2.gz POQPMWNAJXRQDE-RHSMWYFYSA-N 2 2 329.448 1.623 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cn(C)nn1 ZINC000902948111 592088922 /nfs/dbraw/zinc/08/89/22/592088922.db2.gz POQPMWNAJXRQDE-RHSMWYFYSA-N 2 2 329.448 1.623 20 0 EDADLP c1cc(C[NH2+][C@@H]2CCO[C@]23CCOC3)cc(C[NH+]2CCOCC2)c1 ZINC000903072857 592119747 /nfs/dbraw/zinc/11/97/47/592119747.db2.gz LEFVFPGLUNFYRM-MOPGFXCFSA-N 2 2 332.444 1.556 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCO[C@]34CCOC4)[nH+]c2)C1 ZINC000903139687 592126250 /nfs/dbraw/zinc/12/62/50/592126250.db2.gz QTYBQKKEFNASNE-NUJGCVRESA-N 2 2 332.448 1.582 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900825742 592139100 /nfs/dbraw/zinc/13/91/00/592139100.db2.gz BFVDDWAEBDDVFV-UHFFFAOYSA-N 2 2 348.491 1.979 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000903446002 592172978 /nfs/dbraw/zinc/17/29/78/592172978.db2.gz QVIKHOFQXBVNFC-MJGOQNOKSA-N 4 2 336.568 1.970 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000903446002 592172979 /nfs/dbraw/zinc/17/29/79/592172979.db2.gz QVIKHOFQXBVNFC-MJGOQNOKSA-N 4 2 336.568 1.970 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]cc(Br)n2C1)c1cnnn1C ZINC000903480266 592176673 /nfs/dbraw/zinc/17/66/73/592176673.db2.gz OKSJFENKCRFDDR-BDAKNGLRSA-N 2 2 325.214 1.440 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)NCCc1c(F)cccc1F ZINC000903485755 592177940 /nfs/dbraw/zinc/17/79/40/592177940.db2.gz PYXOFZMRYPGNAT-INIZCTEOSA-N 2 2 337.414 1.888 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510809 592190563 /nfs/dbraw/zinc/19/05/63/592190563.db2.gz KTUUGEKGIMTPFT-QRQLOZEOSA-N 2 2 348.535 1.534 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510809 592190564 /nfs/dbraw/zinc/19/05/64/592190564.db2.gz KTUUGEKGIMTPFT-QRQLOZEOSA-N 2 2 348.535 1.534 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510911 592190850 /nfs/dbraw/zinc/19/08/50/592190850.db2.gz UHGDSUWMEQQYHE-YTQUADARSA-N 2 2 348.535 1.678 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510911 592190852 /nfs/dbraw/zinc/19/08/52/592190852.db2.gz UHGDSUWMEQQYHE-YTQUADARSA-N 2 2 348.535 1.678 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906647517 592233055 /nfs/dbraw/zinc/23/30/55/592233055.db2.gz FYWJYVPWPICNAE-UHFFFAOYSA-N 2 2 347.507 1.812 20 0 EDADLP COC(=O)c1cn([C@H]2CCC[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C2)nn1 ZINC000904345211 592235273 /nfs/dbraw/zinc/23/52/73/592235273.db2.gz ABTRROGMRLTZGZ-KGLIPLIRSA-N 2 2 337.468 1.855 20 0 EDADLP COC(=O)c1cn([C@H]2CCC[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C2)nn1 ZINC000904345211 592235275 /nfs/dbraw/zinc/23/52/75/592235275.db2.gz ABTRROGMRLTZGZ-KGLIPLIRSA-N 2 2 337.468 1.855 20 0 EDADLP Brc1ccc2[nH+]cc(CN3CC[NH2+]CC[NH2+]CC3)n2c1 ZINC000904398392 592252982 /nfs/dbraw/zinc/25/29/82/592252982.db2.gz OFWGOBYXJFCDLF-UHFFFAOYSA-N 3 2 338.253 1.092 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3ccc(C(=O)NC4CC4)cc3)C[C@H]2[NH3+])c1 ZINC000904493547 592266563 /nfs/dbraw/zinc/26/65/63/592266563.db2.gz CJSREOHAPXKXCX-IAGOWNOFSA-N 2 2 339.443 1.239 20 0 EDADLP COc1cccc2c1CC[C@H]([N@H+]1C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C1)C2 ZINC000904483456 592270895 /nfs/dbraw/zinc/27/08/95/592270895.db2.gz AFWUMHUPXROXTJ-USXIJHARSA-N 2 2 326.444 1.713 20 0 EDADLP COc1cccc2c1CC[C@H]([N@@H+]1C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C1)C2 ZINC000904483456 592270899 /nfs/dbraw/zinc/27/08/99/592270899.db2.gz AFWUMHUPXROXTJ-USXIJHARSA-N 2 2 326.444 1.713 20 0 EDADLP [NH3+][C@@H]1CCCn2nc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc21 ZINC000904644263 592301655 /nfs/dbraw/zinc/30/16/55/592301655.db2.gz OIXYODVBNKISHN-YWPYICTPSA-N 2 2 344.419 1.653 20 0 EDADLP Cn1cc([C@@]2(C)C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cn1 ZINC000903741379 592302544 /nfs/dbraw/zinc/30/25/44/592302544.db2.gz OZTHBDBGYDATDR-IAGOWNOFSA-N 2 2 334.464 1.126 20 0 EDADLP Cn1cc([C@@]2(C)C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cn1 ZINC000903741379 592302549 /nfs/dbraw/zinc/30/25/49/592302549.db2.gz OZTHBDBGYDATDR-IAGOWNOFSA-N 2 2 334.464 1.126 20 0 EDADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000903767205 592309868 /nfs/dbraw/zinc/30/98/68/592309868.db2.gz FMQKPWWDWFKKST-KZNAEPCWSA-N 2 2 334.460 1.847 20 0 EDADLP CCOC(=O)[C@@H](CCc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000903767205 592309871 /nfs/dbraw/zinc/30/98/71/592309871.db2.gz FMQKPWWDWFKKST-KZNAEPCWSA-N 2 2 334.460 1.847 20 0 EDADLP O=C1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1ccccc1 ZINC000903778212 592319686 /nfs/dbraw/zinc/31/96/86/592319686.db2.gz KSBADEXKWKSNSY-QGZVFWFLSA-N 2 2 329.444 1.494 20 0 EDADLP O=C1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1ccccc1 ZINC000903778212 592319692 /nfs/dbraw/zinc/31/96/92/592319692.db2.gz KSBADEXKWKSNSY-QGZVFWFLSA-N 2 2 329.444 1.494 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764973 592321221 /nfs/dbraw/zinc/32/12/21/592321221.db2.gz JGVVCVOMILOOHO-GOSISDBHSA-N 2 2 339.399 1.165 20 0 EDADLP C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903788106 592323308 /nfs/dbraw/zinc/32/33/08/592323308.db2.gz CAQXEAPPKDAECA-BLLLJJGKSA-N 2 2 334.445 1.999 20 0 EDADLP C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903788106 592323313 /nfs/dbraw/zinc/32/33/13/592323313.db2.gz CAQXEAPPKDAECA-BLLLJJGKSA-N 2 2 334.445 1.999 20 0 EDADLP CN(Cc1cccs1)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816241 592324075 /nfs/dbraw/zinc/32/40/75/592324075.db2.gz VOWGMRBTVAGRCH-UHFFFAOYSA-N 2 2 337.489 1.551 20 0 EDADLP CN(Cc1cccs1)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816241 592324081 /nfs/dbraw/zinc/32/40/81/592324081.db2.gz VOWGMRBTVAGRCH-UHFFFAOYSA-N 2 2 337.489 1.551 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC000908116063 592329011 /nfs/dbraw/zinc/32/90/11/592329011.db2.gz WJLDHBZNOFROHY-HDMKZQKVSA-N 2 2 346.475 1.174 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC000908116063 592329016 /nfs/dbraw/zinc/32/90/16/592329016.db2.gz WJLDHBZNOFROHY-HDMKZQKVSA-N 2 2 346.475 1.174 20 0 EDADLP [NH3+]CC1([C@@H]2CCCC[N@@H+]2CCS(=O)(=O)c2ccccn2)CCC1 ZINC000903812178 592331516 /nfs/dbraw/zinc/33/15/16/592331516.db2.gz RPSMFMBAJWNDCE-HNNXBMFYSA-N 2 2 337.489 1.839 20 0 EDADLP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCS(=O)(=O)c2ccccn2)CCC1 ZINC000903812178 592331520 /nfs/dbraw/zinc/33/15/20/592331520.db2.gz RPSMFMBAJWNDCE-HNNXBMFYSA-N 2 2 337.489 1.839 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)C2 ZINC000903843152 592342632 /nfs/dbraw/zinc/34/26/32/592342632.db2.gz DCXJBOLSHWJWRI-IHRRRGAJSA-N 2 2 345.472 1.743 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)C2 ZINC000903843152 592342637 /nfs/dbraw/zinc/34/26/37/592342637.db2.gz DCXJBOLSHWJWRI-IHRRRGAJSA-N 2 2 345.472 1.743 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000903853256 592346276 /nfs/dbraw/zinc/34/62/76/592346276.db2.gz DVVREPXEUDERLT-HNAYVOBHSA-N 2 2 346.450 1.288 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000903853256 592346279 /nfs/dbraw/zinc/34/62/79/592346279.db2.gz DVVREPXEUDERLT-HNAYVOBHSA-N 2 2 346.450 1.288 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000903853257 592346565 /nfs/dbraw/zinc/34/65/65/592346565.db2.gz DVVREPXEUDERLT-KXBFYZLASA-N 2 2 346.450 1.288 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000903853257 592346569 /nfs/dbraw/zinc/34/65/69/592346569.db2.gz DVVREPXEUDERLT-KXBFYZLASA-N 2 2 346.450 1.288 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@H]([NH3+])CC(F)F)CC2)cc1F ZINC000903877262 592357511 /nfs/dbraw/zinc/35/75/11/592357511.db2.gz LKHMFVOJPCJBME-CYBMUJFWSA-N 2 2 331.382 1.934 20 0 EDADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903897739 592367395 /nfs/dbraw/zinc/36/73/95/592367395.db2.gz JIFMAOWEVGYAIE-IXDOHACOSA-N 2 2 348.495 1.424 20 0 EDADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903897739 592367401 /nfs/dbraw/zinc/36/74/01/592367401.db2.gz JIFMAOWEVGYAIE-IXDOHACOSA-N 2 2 348.495 1.424 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000906822667 592372347 /nfs/dbraw/zinc/37/23/47/592372347.db2.gz IKHHZGSNSYHOIO-MSOLQXFVSA-N 2 2 349.519 1.868 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)C2=O)cc1 ZINC000903924875 592379412 /nfs/dbraw/zinc/37/94/12/592379412.db2.gz JBEIQSLGEBNIOU-OCCSQVGLSA-N 2 2 327.375 1.368 20 0 EDADLP Cn1nc(Br)cc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969663 592395467 /nfs/dbraw/zinc/39/54/67/592395467.db2.gz IMIRBPJBWVMUQM-NSHDSACASA-N 2 2 343.269 1.431 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971303 592396652 /nfs/dbraw/zinc/39/66/52/592396652.db2.gz ABKNZIXMBYTTPZ-OAHLLOKOSA-N 2 2 349.523 1.858 20 0 EDADLP C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000906906021 592397090 /nfs/dbraw/zinc/39/70/90/592397090.db2.gz DZNHEFZRXFSULP-ZFWWWQNUSA-N 2 2 333.480 1.218 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C[C@@]1(O)CCOC1 ZINC000905071049 592402667 /nfs/dbraw/zinc/40/26/67/592402667.db2.gz MTFCKRDDOAGUSB-UFYCRDLUSA-N 2 2 348.487 1.533 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C[C@@]1(O)CCOC1 ZINC000905071049 592402669 /nfs/dbraw/zinc/40/26/69/592402669.db2.gz MTFCKRDDOAGUSB-UFYCRDLUSA-N 2 2 348.487 1.533 20 0 EDADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000905100088 592405496 /nfs/dbraw/zinc/40/54/96/592405496.db2.gz AVLYDUMLPAZNOG-HNNXBMFYSA-N 2 2 328.497 1.522 20 0 EDADLP C[C@H]1C[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000906941554 592421338 /nfs/dbraw/zinc/42/13/38/592421338.db2.gz NSZMJHFKAIUPGG-HOTGVXAUSA-N 2 2 346.475 1.175 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)C1CC1 ZINC000905220270 592472616 /nfs/dbraw/zinc/47/26/16/592472616.db2.gz WDCPXSHNUHUIKZ-VAMGGRTRSA-N 2 2 348.487 1.389 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)C1CC1 ZINC000905220270 592472618 /nfs/dbraw/zinc/47/26/18/592472618.db2.gz WDCPXSHNUHUIKZ-VAMGGRTRSA-N 2 2 348.487 1.389 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COc1ccc2cc[nH]c2c1 ZINC000905264539 592481976 /nfs/dbraw/zinc/48/19/76/592481976.db2.gz SVIJKEJSYFZTHX-KGLIPLIRSA-N 2 2 326.400 1.778 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)COc1ccc2cc[nH]c2c1 ZINC000905264539 592481978 /nfs/dbraw/zinc/48/19/78/592481978.db2.gz SVIJKEJSYFZTHX-KGLIPLIRSA-N 2 2 326.400 1.778 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC[C@@H](O)[C@@H](O)CC3)c2cc1C ZINC000905468107 592543650 /nfs/dbraw/zinc/54/36/50/592543650.db2.gz VQZVJSGFVNVMJM-RGCFKVTRSA-N 2 2 347.459 1.268 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000905545160 592557704 /nfs/dbraw/zinc/55/77/04/592557704.db2.gz WWNDFCHSAWNTSB-BMFZPTHFSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000905545160 592557705 /nfs/dbraw/zinc/55/77/05/592557705.db2.gz WWNDFCHSAWNTSB-BMFZPTHFSA-N 2 2 341.496 1.677 20 0 EDADLP CO[C@]1(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CCSC1 ZINC000905544919 592557856 /nfs/dbraw/zinc/55/78/56/592557856.db2.gz CPKBCQXYRJHTKI-ROUUACIJSA-N 2 2 336.501 1.517 20 0 EDADLP CO[C@]1(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CCSC1 ZINC000905544919 592557857 /nfs/dbraw/zinc/55/78/57/592557857.db2.gz CPKBCQXYRJHTKI-ROUUACIJSA-N 2 2 336.501 1.517 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC(CO)([NH2+]C(C)C)CC3)ccn12 ZINC000908613772 592562308 /nfs/dbraw/zinc/56/23/08/592562308.db2.gz VNGNUOBKAACAOI-UHFFFAOYSA-N 2 2 330.432 1.608 20 0 EDADLP COc1cccc([C@@H]2C[NH2+]CCN2c2cc(-n3cc[nH+]c3)ncn2)c1 ZINC000905662529 592599946 /nfs/dbraw/zinc/59/99/46/592599946.db2.gz XGQRYYVVIHXSSC-INIZCTEOSA-N 2 2 336.399 1.822 20 0 EDADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)c1ccccc1 ZINC000905876224 592659128 /nfs/dbraw/zinc/65/91/28/592659128.db2.gz JEDJIXZFIJHXBX-GUDVDZBRSA-N 2 2 336.476 1.562 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)NCC3([NH+](C)C)CCC3)co2)C1 ZINC000907608239 592718906 /nfs/dbraw/zinc/71/89/06/592718906.db2.gz CVILYTBJKFQENO-ZDUSSCGKSA-N 2 2 336.436 1.109 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NCC3([NH+](C)C)CCC3)co2)C1 ZINC000907608239 592718909 /nfs/dbraw/zinc/71/89/09/592718909.db2.gz CVILYTBJKFQENO-ZDUSSCGKSA-N 2 2 336.436 1.109 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911485477 592928396 /nfs/dbraw/zinc/92/83/96/592928396.db2.gz MSIOOMVQGOJAEK-ILXRZTDVSA-N 2 2 347.463 1.200 20 0 EDADLP CCCCCC[C@H](C)NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911260157 592977817 /nfs/dbraw/zinc/97/78/17/592977817.db2.gz UZMMLARNUFEJJP-AWEZNQCLSA-N 2 2 326.485 1.001 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736569418 593018239 /nfs/dbraw/zinc/01/82/39/593018239.db2.gz IFHFUJGWSYASTH-LBPRGKRZSA-N 2 2 343.435 1.268 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000911857012 593028001 /nfs/dbraw/zinc/02/80/01/593028001.db2.gz SCOFZFYENUSKHL-WOPDTQHZSA-N 2 2 330.354 1.809 20 0 EDADLP C[NH+]1CCC(N(CCO)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000911948022 593037767 /nfs/dbraw/zinc/03/77/67/593037767.db2.gz XERHSUDIRPBMIY-CYBMUJFWSA-N 2 2 348.369 1.292 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000912069219 593059832 /nfs/dbraw/zinc/05/98/32/593059832.db2.gz YZONIJJNBRHWEI-UHFFFAOYSA-N 2 2 347.440 1.601 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000912222562 593077361 /nfs/dbraw/zinc/07/73/61/593077361.db2.gz MHKXVIXWTATYSC-GJZGRUSLSA-N 2 2 336.480 1.718 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000912222562 593077362 /nfs/dbraw/zinc/07/73/62/593077362.db2.gz MHKXVIXWTATYSC-GJZGRUSLSA-N 2 2 336.480 1.718 20 0 EDADLP CCN(C(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000912306143 593085583 /nfs/dbraw/zinc/08/55/83/593085583.db2.gz HYLPKEKHWSVUTB-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CCN(C(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000912306143 593085584 /nfs/dbraw/zinc/08/55/84/593085584.db2.gz HYLPKEKHWSVUTB-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CCN(C(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1)[C@@H]1CC[NH+](C)C1 ZINC000912306143 593085585 /nfs/dbraw/zinc/08/55/85/593085585.db2.gz HYLPKEKHWSVUTB-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CCN(C(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1)[C@@H]1CC[NH+](C)C1 ZINC000912306143 593085586 /nfs/dbraw/zinc/08/55/86/593085586.db2.gz HYLPKEKHWSVUTB-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)c1 ZINC000912531861 593103536 /nfs/dbraw/zinc/10/35/36/593103536.db2.gz BMZXQRCPAKPQON-ZFWWWQNUSA-N 2 2 329.404 1.365 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)c1 ZINC000912531861 593103537 /nfs/dbraw/zinc/10/35/37/593103537.db2.gz BMZXQRCPAKPQON-ZFWWWQNUSA-N 2 2 329.404 1.365 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(Cc2[nH]cc[nH+]2)c2cncc(C)c2)C1 ZINC000912532709 593103709 /nfs/dbraw/zinc/10/37/09/593103709.db2.gz WSMZMUKXKGIFCG-HNNXBMFYSA-N 2 2 329.404 1.367 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(Cc2[nH]cc[nH+]2)c2cncc(C)c2)C1 ZINC000912532709 593103710 /nfs/dbraw/zinc/10/37/10/593103710.db2.gz WSMZMUKXKGIFCG-HNNXBMFYSA-N 2 2 329.404 1.367 20 0 EDADLP C[N@H+](CCCCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000838092989 593123095 /nfs/dbraw/zinc/12/30/95/593123095.db2.gz GNCOHTYDOHSSMC-UHFFFAOYSA-N 2 2 342.447 1.941 20 0 EDADLP C[N@@H+](CCCCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000838092989 593123098 /nfs/dbraw/zinc/12/30/98/593123098.db2.gz GNCOHTYDOHSSMC-UHFFFAOYSA-N 2 2 342.447 1.941 20 0 EDADLP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000838853105 593225661 /nfs/dbraw/zinc/22/56/61/593225661.db2.gz IVLBDEUHCUAWMO-DLBZAZTESA-N 2 2 339.524 1.924 20 0 EDADLP CCOC(=O)CC(C)(C)C[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000838853105 593225663 /nfs/dbraw/zinc/22/56/63/593225663.db2.gz IVLBDEUHCUAWMO-DLBZAZTESA-N 2 2 339.524 1.924 20 0 EDADLP Cn1cc([C@H]2N(C[N@H+](C)CCCn3cc[nH+]c3)C(=O)C2(C)C)cn1 ZINC000808171936 593233407 /nfs/dbraw/zinc/23/34/07/593233407.db2.gz OOBPZYMYTSEJIK-OAHLLOKOSA-N 2 2 330.436 1.506 20 0 EDADLP Cn1cc([C@H]2N(C[N@@H+](C)CCCn3cc[nH+]c3)C(=O)C2(C)C)cn1 ZINC000808171936 593233408 /nfs/dbraw/zinc/23/34/08/593233408.db2.gz OOBPZYMYTSEJIK-OAHLLOKOSA-N 2 2 330.436 1.506 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(C3CCCC3)C2=O)C1 ZINC000802735599 593274675 /nfs/dbraw/zinc/27/46/75/593274675.db2.gz AJYBFDGABNFHDN-FZKQIMNGSA-N 2 2 345.447 1.668 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)N[C@](C)(C3CCCC3)C2=O)C1 ZINC000802735599 593274676 /nfs/dbraw/zinc/27/46/76/593274676.db2.gz AJYBFDGABNFHDN-FZKQIMNGSA-N 2 2 345.447 1.668 20 0 EDADLP CN(CCC[N@H+](C)CC(=O)Nc1cccnc1Cl)CC[NH+](C)C ZINC000808781411 593287471 /nfs/dbraw/zinc/28/74/71/593287471.db2.gz FAURYZKCBLVGDE-UHFFFAOYSA-N 2 2 341.887 1.489 20 0 EDADLP CN(CCC[N@@H+](C)CC(=O)Nc1cccnc1Cl)CC[NH+](C)C ZINC000808781411 593287473 /nfs/dbraw/zinc/28/74/73/593287473.db2.gz FAURYZKCBLVGDE-UHFFFAOYSA-N 2 2 341.887 1.489 20 0 EDADLP Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809592835 593348964 /nfs/dbraw/zinc/34/89/64/593348964.db2.gz JNURXTDVTFMDCP-BBRMVZONSA-N 2 2 349.504 1.884 20 0 EDADLP Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809592835 593348965 /nfs/dbraw/zinc/34/89/65/593348965.db2.gz JNURXTDVTFMDCP-BBRMVZONSA-N 2 2 349.504 1.884 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000809623719 593350475 /nfs/dbraw/zinc/35/04/75/593350475.db2.gz ALUJUYRYXGOHIF-WMLDXEAASA-N 2 2 327.432 1.840 20 0 EDADLP C[NH+](C)CCCC1CC[NH+](CN2C(=O)c3nccnc3C2=O)CC1 ZINC000840038404 593403946 /nfs/dbraw/zinc/40/39/46/593403946.db2.gz OWTOTGBFLOTIEQ-UHFFFAOYSA-N 2 2 331.420 1.084 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](OC)C(F)(F)F)CC1 ZINC000812755014 593508737 /nfs/dbraw/zinc/50/87/37/593508737.db2.gz JAYUGFPBMQYZEZ-GFCCVEGCSA-N 2 2 326.359 1.571 20 0 EDADLP CCn1nc(C)c(CN2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000817286005 593589052 /nfs/dbraw/zinc/58/90/52/593589052.db2.gz OYOMIQRQOXFHQU-UHFFFAOYSA-N 2 2 334.512 1.598 20 0 EDADLP CCn1nc(C)c(CN2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000817286005 593589053 /nfs/dbraw/zinc/58/90/53/593589053.db2.gz OYOMIQRQOXFHQU-UHFFFAOYSA-N 2 2 334.512 1.598 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C=O)cn3C)CC2)CC1 ZINC000817656506 593620452 /nfs/dbraw/zinc/62/04/52/593620452.db2.gz JEKVDBULTXSURB-UHFFFAOYSA-N 2 2 346.475 1.470 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C=O)cn3C)CC2)CC1 ZINC000817656506 593620453 /nfs/dbraw/zinc/62/04/53/593620453.db2.gz JEKVDBULTXSURB-UHFFFAOYSA-N 2 2 346.475 1.470 20 0 EDADLP C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1c[nH+]ccc1N ZINC000817930911 593649711 /nfs/dbraw/zinc/64/97/11/593649711.db2.gz PMBYPKSGKCNJBL-AWEZNQCLSA-N 2 2 333.457 1.802 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000819078562 593737500 /nfs/dbraw/zinc/73/75/00/593737500.db2.gz JSUJBWNJOKVYIE-CABCVRRESA-N 2 2 329.485 1.678 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccnc(Cl)c1F ZINC000823752034 593850474 /nfs/dbraw/zinc/85/04/74/593850474.db2.gz BDTCUAMDUMNWQH-ZDUSSCGKSA-N 2 2 342.846 1.906 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccnc(Cl)c1F ZINC000823752034 593850475 /nfs/dbraw/zinc/85/04/75/593850475.db2.gz BDTCUAMDUMNWQH-ZDUSSCGKSA-N 2 2 342.846 1.906 20 0 EDADLP c1c(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)[nH+]c2n1CCCC2 ZINC000823797004 593861039 /nfs/dbraw/zinc/86/10/39/593861039.db2.gz KPPKCJODQNLNOG-UHFFFAOYSA-N 2 2 346.398 1.982 20 0 EDADLP c1cn(-c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cn2)c[nH+]1 ZINC000823809428 593864799 /nfs/dbraw/zinc/86/47/99/593864799.db2.gz MIOKTJMQXJJKMU-UHFFFAOYSA-N 2 2 338.400 1.799 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821266480 594002172 /nfs/dbraw/zinc/00/21/72/594002172.db2.gz DREMXJWHKAEZLI-UHFFFAOYSA-N 2 2 349.508 1.436 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821266480 594002175 /nfs/dbraw/zinc/00/21/75/594002175.db2.gz DREMXJWHKAEZLI-UHFFFAOYSA-N 2 2 349.508 1.436 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@@H](C)C1 ZINC000821377808 594032348 /nfs/dbraw/zinc/03/23/48/594032348.db2.gz DRJLEKQIHPDCEY-ZFWWWQNUSA-N 2 2 348.451 1.686 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824572972 594040742 /nfs/dbraw/zinc/04/07/42/594040742.db2.gz YMVNSLBMKJMNMX-AAEUAGOBSA-N 2 2 334.399 1.113 20 0 EDADLP FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000822732887 594092771 /nfs/dbraw/zinc/09/27/71/594092771.db2.gz NRUSXQLPSHAQRY-VXGBXAGGSA-N 2 2 336.346 1.119 20 0 EDADLP FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000822732885 594092969 /nfs/dbraw/zinc/09/29/69/594092969.db2.gz NRUSXQLPSHAQRY-RYUDHWBXSA-N 2 2 336.346 1.119 20 0 EDADLP Fc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000822767153 594097596 /nfs/dbraw/zinc/09/75/96/594097596.db2.gz YMYKZADOEYDZLL-AWEZNQCLSA-N 2 2 330.411 1.924 20 0 EDADLP Fc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1-c1nn[nH]n1 ZINC000822767153 594097597 /nfs/dbraw/zinc/09/75/97/594097597.db2.gz YMYKZADOEYDZLL-AWEZNQCLSA-N 2 2 330.411 1.924 20 0 EDADLP Fc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1-c1nn[nH]n1 ZINC000822771954 594098271 /nfs/dbraw/zinc/09/82/71/594098271.db2.gz MTUNLNSXTMHNME-UHFFFAOYSA-N 2 2 339.378 1.723 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)CC[NH2+]1 ZINC000825163093 594139743 /nfs/dbraw/zinc/13/97/43/594139743.db2.gz RUYUOUGHECHXOH-UKTKYZJWSA-N 2 2 329.444 1.356 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)[C@H](C)[NH+]2CCSCC2)CC[NH2+]1 ZINC000825174730 594142284 /nfs/dbraw/zinc/14/22/84/594142284.db2.gz PYIDGRQRJQQMME-DOTOQJQBSA-N 2 2 333.501 1.905 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000825260446 594157524 /nfs/dbraw/zinc/15/75/24/594157524.db2.gz VDVKRQCUDLRHSV-ZACQAIPSSA-N 2 2 344.459 1.502 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000825260446 594157525 /nfs/dbraw/zinc/15/75/25/594157525.db2.gz VDVKRQCUDLRHSV-ZACQAIPSSA-N 2 2 344.459 1.502 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/C3(C)CCOCC3)C2)CC1 ZINC000823282143 594179944 /nfs/dbraw/zinc/17/99/44/594179944.db2.gz IYIGMMFXVQMASN-SEJWUHKESA-N 2 2 335.492 1.644 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/C3(C)CCOCC3)C2)CC1 ZINC000823282143 594179946 /nfs/dbraw/zinc/17/99/46/594179946.db2.gz IYIGMMFXVQMASN-SEJWUHKESA-N 2 2 335.492 1.644 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[NH2+]2)c1 ZINC000827943949 594307734 /nfs/dbraw/zinc/30/77/34/594307734.db2.gz SEDMNZSROKWSKF-SFHVURJKSA-N 2 2 347.459 1.279 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000826183211 594366867 /nfs/dbraw/zinc/36/68/67/594366867.db2.gz ICFRJVXWHMMKNK-OAHLLOKOSA-N 2 2 339.403 1.909 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000826183211 594366869 /nfs/dbraw/zinc/36/68/69/594366869.db2.gz ICFRJVXWHMMKNK-OAHLLOKOSA-N 2 2 339.403 1.909 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000826363741 594445649 /nfs/dbraw/zinc/44/56/49/594445649.db2.gz AGPXFBDOIDAMHD-ZDUSSCGKSA-N 2 2 339.403 1.469 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000826363741 594445651 /nfs/dbraw/zinc/44/56/51/594445651.db2.gz AGPXFBDOIDAMHD-ZDUSSCGKSA-N 2 2 339.403 1.469 20 0 EDADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000826846238 594587522 /nfs/dbraw/zinc/58/75/22/594587522.db2.gz MRLVGENHJTXZRO-LBPRGKRZSA-N 2 2 345.365 1.824 20 0 EDADLP CC1(C)[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]2CCO[C@@H]21 ZINC000831293336 594601270 /nfs/dbraw/zinc/60/12/70/594601270.db2.gz HHXTYNTVKMMLLZ-NXHRZFHOSA-N 2 2 347.459 1.327 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+]4CCOCC4)cn3)CC[C@@H]21 ZINC000827269652 594657823 /nfs/dbraw/zinc/65/78/23/594657823.db2.gz YTKWKUZPSHDLEU-WMZOPIPTSA-N 2 2 344.459 1.080 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C[NH+]4CCOCC4)cn3)CC[C@@H]21 ZINC000827269652 594657824 /nfs/dbraw/zinc/65/78/24/594657824.db2.gz YTKWKUZPSHDLEU-WMZOPIPTSA-N 2 2 344.459 1.080 20 0 EDADLP CCO[C@H](CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C[NH+](C)C ZINC000831707365 594694453 /nfs/dbraw/zinc/69/44/53/594694453.db2.gz CXQHGYHVVFNEBK-VXGBXAGGSA-N 2 2 336.358 1.460 20 0 EDADLP CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000832574167 594760545 /nfs/dbraw/zinc/76/05/45/594760545.db2.gz FFWYIEVQNJUTQQ-IAGOWNOFSA-N 2 2 335.448 1.471 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C1CCCC1 ZINC000841672607 594933618 /nfs/dbraw/zinc/93/36/18/594933618.db2.gz KAZLZNWOEMZBME-OAHLLOKOSA-N 2 2 328.420 1.584 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000841726334 594944115 /nfs/dbraw/zinc/94/41/15/594944115.db2.gz JHQAEQIJCMRVAT-CHWSQXEVSA-N 2 2 328.420 1.468 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000841837526 594961138 /nfs/dbraw/zinc/96/11/38/594961138.db2.gz CPRRHIQTRZIZFL-MRXNPFEDSA-N 2 2 345.491 1.773 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000841837526 594961139 /nfs/dbraw/zinc/96/11/39/594961139.db2.gz CPRRHIQTRZIZFL-MRXNPFEDSA-N 2 2 345.491 1.773 20 0 EDADLP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@@H]1CSC[NH2+]1 ZINC000841846946 594964291 /nfs/dbraw/zinc/96/42/91/594964291.db2.gz DSTHJRFZVGXSDG-AWEZNQCLSA-N 2 2 335.429 1.196 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841930897 594984384 /nfs/dbraw/zinc/98/43/84/594984384.db2.gz DHEFVDMRKJQMQW-HNNXBMFYSA-N 2 2 334.464 1.050 20 0 EDADLP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 ZINC000843348828 595082964 /nfs/dbraw/zinc/08/29/64/595082964.db2.gz RSAYAJKPDCKCSZ-LBPRGKRZSA-N 2 2 339.461 1.088 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000837424069 595107612 /nfs/dbraw/zinc/10/76/12/595107612.db2.gz MADZUTGYOPXHNG-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000837424069 595107613 /nfs/dbraw/zinc/10/76/13/595107613.db2.gz MADZUTGYOPXHNG-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP CCOC(=O)C1=C(C[NH2+][C@H](C[NH3+])C2CCCCC2)NC(=O)N[C@@H]1C ZINC000842476885 595115266 /nfs/dbraw/zinc/11/52/66/595115266.db2.gz VNQBKBLMCKYYRP-DGCLKSJQSA-N 2 2 338.452 1.002 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844180971 595293920 /nfs/dbraw/zinc/29/39/20/595293920.db2.gz JTPFJLDVIOORMU-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000844187213 595296548 /nfs/dbraw/zinc/29/65/48/595296548.db2.gz GQDBVNATHOFPNI-SWLSCSKDSA-N 2 2 341.402 1.452 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000846837812 595324433 /nfs/dbraw/zinc/32/44/33/595324433.db2.gz ICYJEJVFEPKUEZ-CQSZACIVSA-N 2 2 334.445 1.100 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000846837812 595324435 /nfs/dbraw/zinc/32/44/35/595324435.db2.gz ICYJEJVFEPKUEZ-CQSZACIVSA-N 2 2 334.445 1.100 20 0 EDADLP CC1(C)C[C@@H]([NH2+]CCCN2CCNC(=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000848557371 595405238 /nfs/dbraw/zinc/40/52/38/595405238.db2.gz IPVUSDZYZGJWDI-GOSISDBHSA-N 2 2 344.503 1.451 20 0 EDADLP CC1(C)C[C@@H]([NH2+]CCCN2CCNC(=O)C2)C[N@H+]1Cc1ccccc1 ZINC000848557371 595405239 /nfs/dbraw/zinc/40/52/39/595405239.db2.gz IPVUSDZYZGJWDI-GOSISDBHSA-N 2 2 344.503 1.451 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C=C3CC[NH2+]CC3)c[nH+]2)C[C@@H](C)O1 ZINC000852858359 595579926 /nfs/dbraw/zinc/57/99/26/595579926.db2.gz ZUZSKFBSZBZKKH-HUUCEWRRSA-N 2 2 344.459 1.621 20 0 EDADLP C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000857861005 595635136 /nfs/dbraw/zinc/63/51/36/595635136.db2.gz OXYUMGFCHGURPP-XJKSGUPXSA-N 2 2 333.480 1.218 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000858500721 595811337 /nfs/dbraw/zinc/81/13/37/595811337.db2.gz OHGGCKKFBMCJGZ-GOEBONIOSA-N 2 2 341.496 1.942 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000858500721 595811340 /nfs/dbraw/zinc/81/13/40/595811340.db2.gz OHGGCKKFBMCJGZ-GOEBONIOSA-N 2 2 341.496 1.942 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000853592032 595819387 /nfs/dbraw/zinc/81/93/87/595819387.db2.gz AXYCMDQRDRRVMM-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000853592032 595819390 /nfs/dbraw/zinc/81/93/90/595819390.db2.gz AXYCMDQRDRRVMM-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCc2c[nH+]cn2C)cc1 ZINC000851662043 595873707 /nfs/dbraw/zinc/87/37/07/595873707.db2.gz SGTMMWXMDHLTKT-IRXDYDNUSA-N 2 2 343.431 1.374 20 0 EDADLP Cc1ncc(CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000853879191 595908969 /nfs/dbraw/zinc/90/89/69/595908969.db2.gz LTRHLWWMMFTUNX-UHFFFAOYSA-N 2 2 327.498 1.177 20 0 EDADLP Cc1ncc(CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000853879191 595908974 /nfs/dbraw/zinc/90/89/74/595908974.db2.gz LTRHLWWMMFTUNX-UHFFFAOYSA-N 2 2 327.498 1.177 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC2SCCS2)CC1 ZINC000853913727 595920019 /nfs/dbraw/zinc/92/00/19/595920019.db2.gz WWCCJIYOQQYRFK-UHFFFAOYSA-N 2 2 346.566 1.508 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000861540238 596020879 /nfs/dbraw/zinc/02/08/79/596020879.db2.gz UVEBRQVAEHYQBW-LBPRGKRZSA-N 2 2 343.431 1.507 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncccn3)C2)ccn1 ZINC000856583552 596021440 /nfs/dbraw/zinc/02/14/40/596021440.db2.gz JUDCOHJJWFFIAP-KRWDZBQOSA-N 2 2 327.432 1.977 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncccn3)C2)ccn1 ZINC000856583552 596021444 /nfs/dbraw/zinc/02/14/44/596021444.db2.gz JUDCOHJJWFFIAP-KRWDZBQOSA-N 2 2 327.432 1.977 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncccn3)C2)ccn1 ZINC000856583552 596021448 /nfs/dbraw/zinc/02/14/48/596021448.db2.gz JUDCOHJJWFFIAP-KRWDZBQOSA-N 2 2 327.432 1.977 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncccn3)C2)ccn1 ZINC000856583552 596021453 /nfs/dbraw/zinc/02/14/53/596021453.db2.gz JUDCOHJJWFFIAP-KRWDZBQOSA-N 2 2 327.432 1.977 20 0 EDADLP Cc1ccc(N2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000852742356 596237217 /nfs/dbraw/zinc/23/72/17/596237217.db2.gz GYYDPKBZKIWQBI-UHFFFAOYSA-N 2 2 330.476 1.199 20 0 EDADLP C[N@H+](CCCNC(=O)/C=C/C[NH+]1CCOCC1)Cc1ccccc1 ZINC000864615583 596284362 /nfs/dbraw/zinc/28/43/62/596284362.db2.gz DTDAAILHFZLTTI-WEVVVXLNSA-N 2 2 331.460 1.513 20 0 EDADLP C[N@@H+](CCCNC(=O)/C=C/C[NH+]1CCOCC1)Cc1ccccc1 ZINC000864615583 596284364 /nfs/dbraw/zinc/28/43/64/596284364.db2.gz DTDAAILHFZLTTI-WEVVVXLNSA-N 2 2 331.460 1.513 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000866697098 596298109 /nfs/dbraw/zinc/29/81/09/596298109.db2.gz FSABECMZXZNGEZ-UHFFFAOYSA-N 2 2 337.489 1.701 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000866697098 596298110 /nfs/dbraw/zinc/29/81/10/596298110.db2.gz FSABECMZXZNGEZ-UHFFFAOYSA-N 2 2 337.489 1.701 20 0 EDADLP C[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000868872348 596332900 /nfs/dbraw/zinc/33/29/00/596332900.db2.gz AJLGEFSSPQZJOR-MTIYJEKLSA-N 2 2 343.471 1.608 20 0 EDADLP C[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000868872348 596332903 /nfs/dbraw/zinc/33/29/03/596332903.db2.gz AJLGEFSSPQZJOR-MTIYJEKLSA-N 2 2 343.471 1.608 20 0 EDADLP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)/C=C/C[NH+]3CCOCC3)C2)c1 ZINC000870909255 596399900 /nfs/dbraw/zinc/39/99/00/596399900.db2.gz BSAXCLJIZUMUDL-NAASZUNDSA-N 2 2 343.471 1.574 20 0 EDADLP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)/C=C/C[NH+]3CCOCC3)C2)c1 ZINC000870909255 596399906 /nfs/dbraw/zinc/39/99/06/596399906.db2.gz BSAXCLJIZUMUDL-NAASZUNDSA-N 2 2 343.471 1.574 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CCO1 ZINC000869313142 596484615 /nfs/dbraw/zinc/48/46/15/596484615.db2.gz DDZPUEWOZAYVKV-HUUCEWRRSA-N 2 2 347.450 1.533 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CCO1 ZINC000869313142 596484619 /nfs/dbraw/zinc/48/46/19/596484619.db2.gz DDZPUEWOZAYVKV-HUUCEWRRSA-N 2 2 347.450 1.533 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000865156564 596494540 /nfs/dbraw/zinc/49/45/40/596494540.db2.gz GQJBHDRRJCDOCT-MONCILHSSA-N 2 2 349.519 1.989 20 0 EDADLP CSCCCNC(=S)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000865253648 596525457 /nfs/dbraw/zinc/52/54/57/596525457.db2.gz LSNCODFNEAXOOI-UHFFFAOYSA-N 2 2 339.534 1.873 20 0 EDADLP COCC1(CNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CC[NH2+]CC1 ZINC000867972110 596639728 /nfs/dbraw/zinc/63/97/28/596639728.db2.gz YRGBFNDDFXMYNN-UHFFFAOYSA-N 2 2 334.395 1.148 20 0 EDADLP COCCC1(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC[NH2+]CC1 ZINC000868039516 596664299 /nfs/dbraw/zinc/66/42/99/596664299.db2.gz BEAVSQYYBTUYRK-UHFFFAOYSA-N 2 2 330.432 1.460 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000865791974 596684918 /nfs/dbraw/zinc/68/49/18/596684918.db2.gz NXGUDHIIQQYNEB-CQSZACIVSA-N 2 2 347.438 1.158 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000868282037 596763010 /nfs/dbraw/zinc/76/30/10/596763010.db2.gz WSMDNXAVAWIUPK-FUHWJXTLSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000868282037 596763011 /nfs/dbraw/zinc/76/30/11/596763011.db2.gz WSMDNXAVAWIUPK-FUHWJXTLSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868282037 596763012 /nfs/dbraw/zinc/76/30/12/596763012.db2.gz WSMDNXAVAWIUPK-FUHWJXTLSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868282037 596763013 /nfs/dbraw/zinc/76/30/13/596763013.db2.gz WSMDNXAVAWIUPK-FUHWJXTLSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+](C)C1(CNC(=O)/C=C/C[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000866056020 596773664 /nfs/dbraw/zinc/77/36/64/596773664.db2.gz DCAXPSHUKRIDFK-VMPITWQZSA-N 2 2 343.471 1.090 20 0 EDADLP Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872149587 596812478 /nfs/dbraw/zinc/81/24/78/596812478.db2.gz OTDYSZBAOKNUML-ZIAGYGMSSA-N 2 2 329.366 1.680 20 0 EDADLP Cc1cccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872149587 596812482 /nfs/dbraw/zinc/81/24/82/596812482.db2.gz OTDYSZBAOKNUML-ZIAGYGMSSA-N 2 2 329.366 1.680 20 0 EDADLP CN1CC[NH+](C2CCN(c3nc(N)c4ccccc4[nH+]3)CC2)CC1 ZINC000866213504 596830125 /nfs/dbraw/zinc/83/01/25/596830125.db2.gz WYEONTYMTAIRHM-UHFFFAOYSA-N 2 2 326.448 1.428 20 0 EDADLP COC(=O)C1CC([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000872226979 596844716 /nfs/dbraw/zinc/84/47/16/596844716.db2.gz CLQBUOVDYZQOMT-NRXISQOPSA-N 2 2 331.416 1.555 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)CC1(O)CCOCC1 ZINC000872235470 596848225 /nfs/dbraw/zinc/84/82/25/596848225.db2.gz HQXAXUXNBJDPBI-QZTJIDSGSA-N 2 2 340.508 1.666 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)CC1(O)CCOCC1 ZINC000872235470 596848226 /nfs/dbraw/zinc/84/82/26/596848226.db2.gz HQXAXUXNBJDPBI-QZTJIDSGSA-N 2 2 340.508 1.666 20 0 EDADLP Cc1cccc(C[C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000866298876 596850955 /nfs/dbraw/zinc/85/09/55/596850955.db2.gz FZHNHYHYOKBZBF-MJGOQNOKSA-N 2 2 345.487 1.449 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2Cc3ccccc3O2)CC1 ZINC000866351500 596863824 /nfs/dbraw/zinc/86/38/24/596863824.db2.gz AXXJTNCZUKNHLS-KRWDZBQOSA-N 2 2 331.460 1.522 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000866353375 596864616 /nfs/dbraw/zinc/86/46/16/596864616.db2.gz RPNGFPBSOZVZTA-UHFFFAOYSA-N 2 2 347.438 1.158 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000866412453 596880141 /nfs/dbraw/zinc/88/01/41/596880141.db2.gz JBPBXONFZWTQHG-ZFWWWQNUSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000866412453 596880145 /nfs/dbraw/zinc/88/01/45/596880145.db2.gz JBPBXONFZWTQHG-ZFWWWQNUSA-N 2 2 341.496 1.677 20 0 EDADLP CN(c1cc(Cl)n[nH]c1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000872451954 596913826 /nfs/dbraw/zinc/91/38/26/596913826.db2.gz SIPNYOGNUQIJNT-LBPRGKRZSA-N 2 2 325.844 1.440 20 0 EDADLP CN(c1cc(Cl)n[nH]c1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000872451954 596913827 /nfs/dbraw/zinc/91/38/27/596913827.db2.gz SIPNYOGNUQIJNT-LBPRGKRZSA-N 2 2 325.844 1.440 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000875644437 596931530 /nfs/dbraw/zinc/93/15/30/596931530.db2.gz FEKGYUFBWJEDRP-GOEBONIOSA-N 2 2 349.479 1.889 20 0 EDADLP C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2c(Br)nn3C)CC[NH2+]1 ZINC000872773428 597063418 /nfs/dbraw/zinc/06/34/18/597063418.db2.gz ZPGUOXIPXYNTIG-SFYZADRCSA-N 2 2 325.214 1.678 20 0 EDADLP Cc1nccnc1[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000872901267 597116607 /nfs/dbraw/zinc/11/66/07/597116607.db2.gz IHISPRYULSMRHK-GJZGRUSLSA-N 2 2 346.479 1.314 20 0 EDADLP Cc1nccnc1[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000872901267 597116609 /nfs/dbraw/zinc/11/66/09/597116609.db2.gz IHISPRYULSMRHK-GJZGRUSLSA-N 2 2 346.479 1.314 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874893884 597212120 /nfs/dbraw/zinc/21/21/20/597212120.db2.gz VWYQAZCKPCFRPV-YOEHRIQHSA-N 2 2 335.423 1.267 20 0 EDADLP Fc1ccc([C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2nnc[nH]2)cc1 ZINC000873294556 597249867 /nfs/dbraw/zinc/24/98/67/597249867.db2.gz WQSJWYKSSRGVRA-CVEARBPZSA-N 2 2 345.422 1.782 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000876757015 597325010 /nfs/dbraw/zinc/32/50/10/597325010.db2.gz AAWXYXOAKSHHRW-KZNAEPCWSA-N 2 2 345.487 1.420 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000876785020 597339712 /nfs/dbraw/zinc/33/97/12/597339712.db2.gz ODYJJFUETVOCLV-CVEARBPZSA-N 3 2 340.487 1.001 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000875354402 597396680 /nfs/dbraw/zinc/39/66/80/597396680.db2.gz MMXZCHKVFWOEMP-PCKAHOCUSA-N 2 2 331.464 1.904 20 0 EDADLP Cc1cc(NCCNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000877026781 597415344 /nfs/dbraw/zinc/41/53/44/597415344.db2.gz HEWZPWWNXQTCEY-XHPSBEMXSA-N 2 2 331.464 1.992 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[C@@H](O)C2CCCC2)CC1 ZINC000875428041 597424567 /nfs/dbraw/zinc/42/45/67/597424567.db2.gz AIPZPWCUIYTYDU-QGZVFWFLSA-N 2 2 340.512 1.253 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]3[NH2+]CCC3(C)C)C2)cc1 ZINC000877248215 597478501 /nfs/dbraw/zinc/47/85/01/597478501.db2.gz HVHWDUGPNPSNQL-ZWKOTPCHSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]3[NH2+]CCC3(C)C)C2)cc1 ZINC000877248215 597478503 /nfs/dbraw/zinc/47/85/03/597478503.db2.gz HVHWDUGPNPSNQL-ZWKOTPCHSA-N 2 2 345.487 1.700 20 0 EDADLP CC[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCC[NH2+]1 ZINC000877248380 597478804 /nfs/dbraw/zinc/47/88/04/597478804.db2.gz LHXFCHVUCPYMOR-ICSRJNTNSA-N 2 2 345.487 1.844 20 0 EDADLP CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCC[NH2+]1 ZINC000877248380 597478807 /nfs/dbraw/zinc/47/88/07/597478807.db2.gz LHXFCHVUCPYMOR-ICSRJNTNSA-N 2 2 345.487 1.844 20 0 EDADLP Cc1ccc2ncc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)n2c1 ZINC000877746384 597552586 /nfs/dbraw/zinc/55/25/86/597552586.db2.gz NKNJIEAUQPLKAC-UHFFFAOYSA-N 2 2 327.476 1.855 20 0 EDADLP OC[C@@]1(F)CC[NH+](C[C@H](C[N@H+]2CC[C@@](F)(CO)C2)C2CCCC2)C1 ZINC000878567929 597638294 /nfs/dbraw/zinc/63/82/94/597638294.db2.gz DXWSXIHHUUFGQE-NNZMDNLPSA-N 2 2 346.462 1.605 20 0 EDADLP OC[C@@]1(F)CC[NH+](C[C@H](C[N@@H+]2CC[C@@](F)(CO)C2)C2CCCC2)C1 ZINC000878567929 597638297 /nfs/dbraw/zinc/63/82/97/597638297.db2.gz DXWSXIHHUUFGQE-NNZMDNLPSA-N 2 2 346.462 1.605 20 0 EDADLP OC[C@@]1(F)CC[N@@H+](C[C@H](C[NH+]2CC[C@@](F)(CO)C2)C2CCCC2)C1 ZINC000878567929 597638300 /nfs/dbraw/zinc/63/83/00/597638300.db2.gz DXWSXIHHUUFGQE-NNZMDNLPSA-N 2 2 346.462 1.605 20 0 EDADLP OC[C@@]1(F)CC[N@H+](C[C@H](C[NH+]2CC[C@@](F)(CO)C2)C2CCCC2)C1 ZINC000878567929 597638305 /nfs/dbraw/zinc/63/83/05/597638305.db2.gz DXWSXIHHUUFGQE-NNZMDNLPSA-N 2 2 346.462 1.605 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591055 597648161 /nfs/dbraw/zinc/64/81/61/597648161.db2.gz PDTFADJPRLVROM-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCN1c1cc[nH+]cc1 ZINC000881630065 597664215 /nfs/dbraw/zinc/66/42/15/597664215.db2.gz FCRWWMMOSPSGTB-FVQBIDKESA-N 2 2 325.416 1.656 20 0 EDADLP c1ccc2c(c1)CC([NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)C2 ZINC000883369329 597725605 /nfs/dbraw/zinc/72/56/05/597725605.db2.gz OPOJXQSYZDXHGF-IBGZPJMESA-N 2 2 329.488 1.540 20 0 EDADLP NC(=O)[C@H](F)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000879040503 597796696 /nfs/dbraw/zinc/79/66/96/597796696.db2.gz CNMXFOKDWPGTJS-GOSISDBHSA-N 2 2 349.450 1.554 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CCc2ccc(C(N)=O)cc2)CC1 ZINC000879061480 597806439 /nfs/dbraw/zinc/80/64/39/597806439.db2.gz MARWQTPXVYZKRN-UHFFFAOYSA-N 2 2 345.487 1.905 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261063 597886415 /nfs/dbraw/zinc/88/64/15/597886415.db2.gz HJCXDBOPGYGDDU-LSDHHAIUSA-N 2 2 347.463 1.462 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261063 597886417 /nfs/dbraw/zinc/88/64/17/597886417.db2.gz HJCXDBOPGYGDDU-LSDHHAIUSA-N 2 2 347.463 1.462 20 0 EDADLP O=C(C[N@H+]1CC[C@H](CF)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880291161 597893481 /nfs/dbraw/zinc/89/34/81/597893481.db2.gz CAXKYVCWDSHBJX-MRXNPFEDSA-N 2 2 335.423 1.749 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](CF)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880291161 597893484 /nfs/dbraw/zinc/89/34/84/597893484.db2.gz CAXKYVCWDSHBJX-MRXNPFEDSA-N 2 2 335.423 1.749 20 0 EDADLP COC(=O)CN(C)C(=O)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568937 597966666 /nfs/dbraw/zinc/96/66/66/597966666.db2.gz HMDQJRFQXNDHOV-MRXNPFEDSA-N 2 2 344.415 1.236 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)[C@H](C)[NH+]1CCOCC1 ZINC000884212516 598030839 /nfs/dbraw/zinc/03/08/39/598030839.db2.gz HESAJJPWOMPDFV-GRDNDAEWSA-N 2 2 344.459 1.263 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000914071854 695062001 /nfs/dbraw/zinc/06/20/01/695062001.db2.gz CCJMSNNRTCEYSV-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000914071854 695062004 /nfs/dbraw/zinc/06/20/04/695062004.db2.gz CCJMSNNRTCEYSV-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC000992686986 695206416 /nfs/dbraw/zinc/20/64/16/695206416.db2.gz BLVUDJAMELZNHH-USXIJHARSA-N 2 2 348.466 1.948 20 0 EDADLP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939856427 699995042 /nfs/dbraw/zinc/99/50/42/699995042.db2.gz LVVGESQXIQHLEZ-TZMCWYRMSA-N 2 2 333.461 1.327 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939855704 699994109 /nfs/dbraw/zinc/99/41/09/699994109.db2.gz GMKWLDJOVUZXHW-WBMJQRKESA-N 2 2 334.370 1.798 20 0 EDADLP CCc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2C[NH+](C)CCO2)c1 ZINC001038136007 700070413 /nfs/dbraw/zinc/07/04/13/700070413.db2.gz KBACBFZXXYECJB-QZTJIDSGSA-N 2 2 331.460 1.270 20 0 EDADLP CCc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2C[NH+](C)CCO2)c1 ZINC001038136007 700070416 /nfs/dbraw/zinc/07/04/16/700070416.db2.gz KBACBFZXXYECJB-QZTJIDSGSA-N 2 2 331.460 1.270 20 0 EDADLP CCc1cccc(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001038136007 700070418 /nfs/dbraw/zinc/07/04/18/700070418.db2.gz KBACBFZXXYECJB-QZTJIDSGSA-N 2 2 331.460 1.270 20 0 EDADLP CCc1cccc(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001038136007 700070421 /nfs/dbraw/zinc/07/04/21/700070421.db2.gz KBACBFZXXYECJB-QZTJIDSGSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC[N@@H+]1CCF ZINC000993581014 696233160 /nfs/dbraw/zinc/23/31/60/696233160.db2.gz VXBDKOPMWDKELL-UKRRQHHQSA-N 2 2 331.395 1.820 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC[N@H+]1CCF ZINC000993581014 696233163 /nfs/dbraw/zinc/23/31/63/696233163.db2.gz VXBDKOPMWDKELL-UKRRQHHQSA-N 2 2 331.395 1.820 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cncs2)[C@@H]1C ZINC000993612567 696258647 /nfs/dbraw/zinc/25/86/47/696258647.db2.gz IXIGQSPACGOSCH-HIFRSBDPSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cncs2)[C@@H]1C ZINC000993612567 696258650 /nfs/dbraw/zinc/25/86/50/696258650.db2.gz IXIGQSPACGOSCH-HIFRSBDPSA-N 2 2 333.461 1.817 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@@H+]1Cc1cncn1C ZINC000993681351 696306288 /nfs/dbraw/zinc/30/62/88/696306288.db2.gz GRRRGHYTEFWFJB-NVXWUHKLSA-N 2 2 347.507 1.764 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1Cc1cncn1C ZINC000993681351 696306291 /nfs/dbraw/zinc/30/62/91/696306291.db2.gz GRRRGHYTEFWFJB-NVXWUHKLSA-N 2 2 347.507 1.764 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1Cc1ccnn1C ZINC000993686582 696309196 /nfs/dbraw/zinc/30/91/96/696309196.db2.gz WMEYRTHEAGUMLQ-NVXWUHKLSA-N 2 2 347.507 1.764 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015705537 696597713 /nfs/dbraw/zinc/59/77/13/696597713.db2.gz MXOHWEYPFPFYFA-MRXNPFEDSA-N 2 2 346.475 1.513 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015705537 696597714 /nfs/dbraw/zinc/59/77/14/696597714.db2.gz MXOHWEYPFPFYFA-MRXNPFEDSA-N 2 2 346.475 1.513 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015705537 696597716 /nfs/dbraw/zinc/59/77/16/696597716.db2.gz MXOHWEYPFPFYFA-MRXNPFEDSA-N 2 2 346.475 1.513 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015705537 696597719 /nfs/dbraw/zinc/59/77/19/696597719.db2.gz MXOHWEYPFPFYFA-MRXNPFEDSA-N 2 2 346.475 1.513 20 0 EDADLP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)oc1C ZINC000994250742 696643713 /nfs/dbraw/zinc/64/37/13/696643713.db2.gz IYEMXNYIORMELA-GDBMZVCRSA-N 2 2 346.475 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)oc1C ZINC000994250742 696643714 /nfs/dbraw/zinc/64/37/14/696643714.db2.gz IYEMXNYIORMELA-GDBMZVCRSA-N 2 2 346.475 1.856 20 0 EDADLP Cc1nnsc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994409258 696832008 /nfs/dbraw/zinc/83/20/08/696832008.db2.gz QJTUTWGLRCHSCN-ZIAGYGMSSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994409258 696832012 /nfs/dbraw/zinc/83/20/12/696832012.db2.gz QJTUTWGLRCHSCN-ZIAGYGMSSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)o1 ZINC000994412474 696838362 /nfs/dbraw/zinc/83/83/62/696838362.db2.gz VPKOMOKBVAMCMA-ZBFHGGJFSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)o1 ZINC000994412474 696838364 /nfs/dbraw/zinc/83/83/64/696838364.db2.gz VPKOMOKBVAMCMA-ZBFHGGJFSA-N 2 2 334.464 1.856 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000917049544 696887750 /nfs/dbraw/zinc/88/77/50/696887750.db2.gz DNMJIEYZECUCDI-IAGOWNOFSA-N 2 2 347.507 1.641 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000917049544 696887752 /nfs/dbraw/zinc/88/77/52/696887752.db2.gz DNMJIEYZECUCDI-IAGOWNOFSA-N 2 2 347.507 1.641 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H]3CC[N@H+]3C)CC2)oc1C ZINC000918061176 697127614 /nfs/dbraw/zinc/12/76/14/697127614.db2.gz NHERHNPNIPNTHS-MRXNPFEDSA-N 2 2 349.479 1.507 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@H]3CC[N@@H+]3C)CC2)oc1C ZINC000918061176 697127616 /nfs/dbraw/zinc/12/76/16/697127616.db2.gz NHERHNPNIPNTHS-MRXNPFEDSA-N 2 2 349.479 1.507 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000919150451 697248965 /nfs/dbraw/zinc/24/89/65/697248965.db2.gz KBYYRLPPTKJBHV-JKSUJKDBSA-N 2 2 342.528 1.763 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943174380 697866344 /nfs/dbraw/zinc/86/63/44/697866344.db2.gz CDATZTRIEYAFCL-ZBEGNZNMSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943174380 697866345 /nfs/dbraw/zinc/86/63/45/697866345.db2.gz CDATZTRIEYAFCL-ZBEGNZNMSA-N 2 2 331.420 1.584 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764690 699049829 /nfs/dbraw/zinc/04/98/29/699049829.db2.gz KQUHSXAHFYECPJ-UHFFFAOYSA-N 2 2 346.450 1.645 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995156795 701562971 /nfs/dbraw/zinc/56/29/71/701562971.db2.gz XKYYWGVKBYDZHN-RYUDHWBXSA-N 2 2 334.449 1.187 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)o1 ZINC001031767596 699076561 /nfs/dbraw/zinc/07/65/61/699076561.db2.gz XLFXVEHIIOUHIN-WBVHZDCISA-N 2 2 332.448 1.548 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)o1 ZINC001031767596 699076563 /nfs/dbraw/zinc/07/65/63/699076563.db2.gz XLFXVEHIIOUHIN-WBVHZDCISA-N 2 2 332.448 1.548 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772699 699122928 /nfs/dbraw/zinc/12/29/28/699122928.db2.gz IPHLGLVSHFBQOF-KXBFYZLASA-N 2 2 340.427 1.651 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1C[NH+](CC[C@@H]3CCOC3)C1)C2 ZINC001031787475 699243825 /nfs/dbraw/zinc/24/38/25/699243825.db2.gz CZSSUXSQGLBGEE-GDBMZVCRSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1C[NH+](CC[C@@H]3CCOC3)C1)CC2 ZINC001031787475 699243828 /nfs/dbraw/zinc/24/38/28/699243828.db2.gz CZSSUXSQGLBGEE-GDBMZVCRSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1C[NH+](CC3CC(C)C3)C1)C2 ZINC001031790006 699254357 /nfs/dbraw/zinc/25/43/57/699254357.db2.gz QONPUHNXYZGLSA-LDZOIKDWSA-N 2 2 330.476 1.917 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1C[NH+](CC3CC(C)C3)C1)CC2 ZINC001031790006 699254359 /nfs/dbraw/zinc/25/43/59/699254359.db2.gz QONPUHNXYZGLSA-LDZOIKDWSA-N 2 2 330.476 1.917 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001031799935 699330507 /nfs/dbraw/zinc/33/05/07/699330507.db2.gz JZYRHLOPSMOSJJ-UHFFFAOYSA-N 2 2 339.399 1.801 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)sn1 ZINC000939533967 699672189 /nfs/dbraw/zinc/67/21/89/699672189.db2.gz HFUMUQYCUVEJCX-NHYWBVRUSA-N 2 2 333.461 1.364 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939534344 699675056 /nfs/dbraw/zinc/67/50/56/699675056.db2.gz JBHBLTIBPFIFLB-SJCJKPOMSA-N 2 2 348.397 1.878 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)sn1 ZINC000939534789 699675584 /nfs/dbraw/zinc/67/55/84/699675584.db2.gz MIRZORMJFJRBFV-BXUZGUMPSA-N 2 2 349.460 1.064 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)cn1 ZINC000939539028 699679641 /nfs/dbraw/zinc/67/96/41/699679641.db2.gz AOGLWDKVBGTUEJ-SWLSCSKDSA-N 2 2 342.447 1.422 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000939539321 699679986 /nfs/dbraw/zinc/67/99/86/699679986.db2.gz BUIFUNOUNBPMSV-ZBFHGGJFSA-N 2 2 348.491 1.941 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)nn1C ZINC000939540350 699681093 /nfs/dbraw/zinc/68/10/93/699681093.db2.gz GTSQOHQLKCDSMV-SWLSCSKDSA-N 2 2 344.463 1.366 20 0 EDADLP COc1ccnc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)c1 ZINC000939621477 699757875 /nfs/dbraw/zinc/75/78/75/699757875.db2.gz ADYVUNILNSUCMI-SJCJKPOMSA-N 2 2 343.431 1.301 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939622331 699759180 /nfs/dbraw/zinc/75/91/80/699759180.db2.gz JXKGGDUCPUPDOH-PIGZYNQJSA-N 2 2 345.447 1.756 20 0 EDADLP CCc1nocc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939622896 699759945 /nfs/dbraw/zinc/75/99/45/699759945.db2.gz PFWHODDCOINMJJ-BZNIZROVSA-N 2 2 331.420 1.448 20 0 EDADLP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939642340 699771615 /nfs/dbraw/zinc/77/16/15/699771615.db2.gz JDGBOYCVEKQBQA-MAUKXSAKSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939643847 699784281 /nfs/dbraw/zinc/78/42/81/699784281.db2.gz XLEDZDJCKOMXDP-KSSFIOAISA-N 2 2 341.459 1.693 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941653297 701612426 /nfs/dbraw/zinc/61/24/26/701612426.db2.gz NJSXPSDZBKMDTJ-UHFFFAOYSA-N 2 2 345.491 1.279 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000940145137 700275322 /nfs/dbraw/zinc/27/53/22/700275322.db2.gz UFJSRNZXCMKEPR-UHFFFAOYSA-N 2 2 342.447 1.612 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000940145137 700275325 /nfs/dbraw/zinc/27/53/25/700275325.db2.gz UFJSRNZXCMKEPR-UHFFFAOYSA-N 2 2 342.447 1.612 20 0 EDADLP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000940182506 700340055 /nfs/dbraw/zinc/34/00/55/700340055.db2.gz JHQSAYKLCHWLTF-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH+]ccn3C)CC2)n1 ZINC000940227669 700392051 /nfs/dbraw/zinc/39/20/51/700392051.db2.gz CTTILXJICWEUEX-UHFFFAOYSA-N 2 2 344.463 1.257 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000940227982 700392762 /nfs/dbraw/zinc/39/27/62/700392762.db2.gz FMFYSCNEWCFFBB-INIZCTEOSA-N 2 2 348.491 1.893 20 0 EDADLP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000940243436 700404809 /nfs/dbraw/zinc/40/48/09/700404809.db2.gz OJOCOGRUABIAIJ-UHFFFAOYSA-N 2 2 330.436 1.178 20 0 EDADLP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243543 700405323 /nfs/dbraw/zinc/40/53/23/700405323.db2.gz VTRQFAWOMBXQBI-UHFFFAOYSA-N 2 2 344.463 1.661 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940371343 700553873 /nfs/dbraw/zinc/55/38/73/700553873.db2.gz KYBVZRKQEPMBLH-GFCCVEGCSA-N 2 2 348.476 1.611 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940371343 700553875 /nfs/dbraw/zinc/55/38/75/700553875.db2.gz KYBVZRKQEPMBLH-GFCCVEGCSA-N 2 2 348.476 1.611 20 0 EDADLP CC1([NH2+]Cc2cc(C3CC3)no2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397356 700594393 /nfs/dbraw/zinc/59/43/93/700594393.db2.gz LHKPPCDVCBBUSR-UHFFFAOYSA-N 2 2 343.431 1.989 20 0 EDADLP CC1([NH2+]Cc2ccc(F)cn2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482697 700670711 /nfs/dbraw/zinc/67/07/11/700670711.db2.gz MJKQBQSBJUVUNI-UHFFFAOYSA-N 2 2 331.395 1.588 20 0 EDADLP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940837331 700934836 /nfs/dbraw/zinc/93/48/36/700934836.db2.gz RVBZMASYNRATSD-PBHICJAKSA-N 2 2 349.475 1.884 20 0 EDADLP COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940837331 700934838 /nfs/dbraw/zinc/93/48/38/700934838.db2.gz RVBZMASYNRATSD-PBHICJAKSA-N 2 2 349.475 1.884 20 0 EDADLP COc1nscc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995108609 700966436 /nfs/dbraw/zinc/96/64/36/700966436.db2.gz UYCNKXTXOVAVFY-DGCLKSJQSA-N 2 2 349.460 1.492 20 0 EDADLP CCc1noc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995112536 701013476 /nfs/dbraw/zinc/01/34/76/701013476.db2.gz DNGSZBAYMKPSDQ-KGLIPLIRSA-N 2 2 345.447 1.886 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973867 701015846 /nfs/dbraw/zinc/01/58/46/701015846.db2.gz YHJNLXJGKVTCOK-IAGOWNOFSA-N 2 2 337.508 1.866 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973867 701015848 /nfs/dbraw/zinc/01/58/48/701015848.db2.gz YHJNLXJGKVTCOK-IAGOWNOFSA-N 2 2 337.508 1.866 20 0 EDADLP CC[NH+]1CC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973867 701015850 /nfs/dbraw/zinc/01/58/50/701015850.db2.gz YHJNLXJGKVTCOK-IAGOWNOFSA-N 2 2 337.508 1.866 20 0 EDADLP CC[NH+]1CC[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973867 701015852 /nfs/dbraw/zinc/01/58/52/701015852.db2.gz YHJNLXJGKVTCOK-IAGOWNOFSA-N 2 2 337.508 1.866 20 0 EDADLP CCCn1ncnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995117143 701071647 /nfs/dbraw/zinc/07/16/47/701071647.db2.gz OOJCVYUNVRTPMY-UONOGXRCSA-N 2 2 345.451 1.028 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941042036 701097713 /nfs/dbraw/zinc/09/77/13/701097713.db2.gz UDVVTNCHWXIBFB-FMKPAKJESA-N 2 2 334.464 1.387 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941042036 701097715 /nfs/dbraw/zinc/09/77/15/701097715.db2.gz UDVVTNCHWXIBFB-FMKPAKJESA-N 2 2 334.464 1.387 20 0 EDADLP CC1(C)C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061104 701108106 /nfs/dbraw/zinc/10/81/06/701108106.db2.gz LAWWYALIZKLQCL-HOCLYGCPSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061104 701108108 /nfs/dbraw/zinc/10/81/08/701108108.db2.gz LAWWYALIZKLQCL-HOCLYGCPSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cs1 ZINC000945810445 701203383 /nfs/dbraw/zinc/20/33/83/701203383.db2.gz XXEKYTDIOOUHIE-XJKSGUPXSA-N 2 2 347.488 1.717 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cs1 ZINC000945810445 701203384 /nfs/dbraw/zinc/20/33/84/701203384.db2.gz XXEKYTDIOOUHIE-XJKSGUPXSA-N 2 2 347.488 1.717 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCC2)C1 ZINC000999167465 706594588 /nfs/dbraw/zinc/59/45/88/706594588.db2.gz FDSMNSRUACORLL-DAWZGUTISA-N 2 2 337.508 1.866 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCC2)C1 ZINC000999167465 706594591 /nfs/dbraw/zinc/59/45/91/706594591.db2.gz FDSMNSRUACORLL-DAWZGUTISA-N 2 2 337.508 1.866 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)o1 ZINC001031932202 701384056 /nfs/dbraw/zinc/38/40/56/701384056.db2.gz XNTRIBMJQFGDTO-UHFFFAOYSA-N 2 2 332.404 1.499 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941215363 701401703 /nfs/dbraw/zinc/40/17/03/701401703.db2.gz RBQMOJKCDUYZAT-QGZVFWFLSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941215363 701401705 /nfs/dbraw/zinc/40/17/05/701401705.db2.gz RBQMOJKCDUYZAT-QGZVFWFLSA-N 2 2 345.491 1.598 20 0 EDADLP CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252508 701427143 /nfs/dbraw/zinc/42/71/43/701427143.db2.gz ACCAOONHLQNJFB-CVEARBPZSA-N 2 2 334.464 1.526 20 0 EDADLP CC1(C)C[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252508 701427144 /nfs/dbraw/zinc/42/71/44/701427144.db2.gz ACCAOONHLQNJFB-CVEARBPZSA-N 2 2 334.464 1.526 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(F)c3)C2)C1 ZINC001032197776 701743308 /nfs/dbraw/zinc/74/33/08/701743308.db2.gz VUKNUBULQDHSTG-QGZVFWFLSA-N 2 2 335.423 1.094 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(F)c3)C2)C1 ZINC001032197776 701743312 /nfs/dbraw/zinc/74/33/12/701743312.db2.gz VUKNUBULQDHSTG-QGZVFWFLSA-N 2 2 335.423 1.094 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)on1 ZINC001032128457 701786466 /nfs/dbraw/zinc/78/64/66/701786466.db2.gz DBMNABVNPHZVBW-JKSUJKDBSA-N 2 2 334.464 1.651 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995175712 701803874 /nfs/dbraw/zinc/80/38/74/701803874.db2.gz AEQUWQZARDUNIT-HUUCEWRRSA-N 2 2 344.463 1.552 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cc2F)C1)C12CC[NH+](CC1)C2 ZINC001032130227 701837569 /nfs/dbraw/zinc/83/75/69/701837569.db2.gz HYSILPYVPJIBNS-UHFFFAOYSA-N 2 2 335.398 1.609 20 0 EDADLP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032131837 701857537 /nfs/dbraw/zinc/85/75/37/701857537.db2.gz CCBIAAZCWWRTDD-UHFFFAOYSA-N 2 2 342.447 1.051 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)o1 ZINC000995746426 701970866 /nfs/dbraw/zinc/97/08/66/701970866.db2.gz LXNBMOHQJXFVAK-OAHLLOKOSA-N 2 2 345.447 1.974 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001031977984 701978518 /nfs/dbraw/zinc/97/85/18/701978518.db2.gz LJFXVIWLWGYQCF-IUODEOHRSA-N 2 2 336.867 1.481 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001031977984 701978521 /nfs/dbraw/zinc/97/85/21/701978521.db2.gz LJFXVIWLWGYQCF-IUODEOHRSA-N 2 2 336.867 1.481 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cnccc2C)C[C@@H]1C ZINC000944447443 702040779 /nfs/dbraw/zinc/04/07/79/702040779.db2.gz ZODMHFASBYDGOC-YOEHRIQHSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cnccc2C)C[C@@H]1C ZINC000944447443 702040787 /nfs/dbraw/zinc/04/07/87/702040787.db2.gz ZODMHFASBYDGOC-YOEHRIQHSA-N 2 2 341.459 1.991 20 0 EDADLP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001032660465 706642330 /nfs/dbraw/zinc/64/23/30/706642330.db2.gz JSVLPPFEVQIKFP-IRXDYDNUSA-N 2 2 335.492 1.573 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nnc(C)o3)C(C)(C)C2)CC[N@@H+]1C ZINC000995841134 702121749 /nfs/dbraw/zinc/12/17/49/702121749.db2.gz PLNIQLLPVAKLGB-ZNMIVQPWSA-N 2 2 349.479 1.435 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nnc(C)o3)C(C)(C)C2)CC[N@H+]1C ZINC000995841134 702121751 /nfs/dbraw/zinc/12/17/51/702121751.db2.gz PLNIQLLPVAKLGB-ZNMIVQPWSA-N 2 2 349.479 1.435 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001032206334 702140448 /nfs/dbraw/zinc/14/04/48/702140448.db2.gz XOBOUSJYTRXKSM-QGZVFWFLSA-N 2 2 334.439 1.643 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001032206334 702140451 /nfs/dbraw/zinc/14/04/51/702140451.db2.gz XOBOUSJYTRXKSM-QGZVFWFLSA-N 2 2 334.439 1.643 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000995187302 702178534 /nfs/dbraw/zinc/17/85/34/702178534.db2.gz RSTNKDNHTBWZHE-GDBMZVCRSA-N 2 2 327.432 1.730 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3csnn3)C2)CC[N@@H+]1C ZINC000999206086 706659054 /nfs/dbraw/zinc/65/90/54/706659054.db2.gz HNZKAUGBQWXMDN-VHDGCEQUSA-N 2 2 337.493 1.349 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3csnn3)C2)CC[N@H+]1C ZINC000999206086 706659056 /nfs/dbraw/zinc/65/90/56/706659056.db2.gz HNZKAUGBQWXMDN-VHDGCEQUSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000995982841 702341844 /nfs/dbraw/zinc/34/18/44/702341844.db2.gz PYDZNBSUNBEOET-KBPBESRZSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000995982841 702341851 /nfs/dbraw/zinc/34/18/51/702341851.db2.gz PYDZNBSUNBEOET-KBPBESRZSA-N 2 2 337.493 1.349 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nc1 ZINC000944167545 702405684 /nfs/dbraw/zinc/40/56/84/702405684.db2.gz DVODJSLDLAIKLI-HZPDHXFCSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nc1 ZINC000944167545 702405691 /nfs/dbraw/zinc/40/56/91/702405691.db2.gz DVODJSLDLAIKLI-HZPDHXFCSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)o1 ZINC000996042236 702459255 /nfs/dbraw/zinc/45/92/55/702459255.db2.gz LABLHZNGBFGQIV-AWEZNQCLSA-N 2 2 331.420 1.515 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000996104281 702524428 /nfs/dbraw/zinc/52/44/28/702524428.db2.gz CFSIGOWNPGWPLK-AWEZNQCLSA-N 2 2 333.461 1.757 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC000996077067 702525686 /nfs/dbraw/zinc/52/56/86/702525686.db2.gz XMHHYHGVRACQLB-HOTGVXAUSA-N 2 2 348.491 1.748 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)on1 ZINC000996106659 702528844 /nfs/dbraw/zinc/52/88/44/702528844.db2.gz OSYDZXVDIUHBRC-CQSZACIVSA-N 2 2 347.419 1.297 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000996106714 702528931 /nfs/dbraw/zinc/52/89/31/702528931.db2.gz QDPDNWVJCMIJGD-HZPDHXFCSA-N 2 2 334.464 1.669 20 0 EDADLP CCc1noc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC000995205851 702645414 /nfs/dbraw/zinc/64/54/14/702645414.db2.gz CPJJLMRVZVQQLR-KGLIPLIRSA-N 2 2 346.435 1.212 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996300266 702691540 /nfs/dbraw/zinc/69/15/40/702691540.db2.gz LBTJFUMWPYMOIA-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996300266 702691541 /nfs/dbraw/zinc/69/15/41/702691541.db2.gz LBTJFUMWPYMOIA-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)s1 ZINC000996353917 702731706 /nfs/dbraw/zinc/73/17/06/702731706.db2.gz FHILKBQQJWMNAA-CQSZACIVSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)s1 ZINC000996353916 702731879 /nfs/dbraw/zinc/73/18/79/702731879.db2.gz FHILKBQQJWMNAA-AWEZNQCLSA-N 2 2 333.461 1.744 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996400561 702757167 /nfs/dbraw/zinc/75/71/67/702757167.db2.gz VXGZMDGAHDFEFO-CZUORRHYSA-N 2 2 344.463 1.349 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)no1 ZINC000996462959 702790427 /nfs/dbraw/zinc/79/04/27/702790427.db2.gz CYCWPWCJNLOYSR-OAHLLOKOSA-N 2 2 349.479 1.585 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)no1 ZINC000996462959 702790429 /nfs/dbraw/zinc/79/04/29/702790429.db2.gz CYCWPWCJNLOYSR-OAHLLOKOSA-N 2 2 349.479 1.585 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)C1 ZINC000996456100 702800402 /nfs/dbraw/zinc/80/04/02/702800402.db2.gz IBUKSSZAVNFMAX-YMAMQOFZSA-N 2 2 334.464 1.594 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)C1 ZINC000996456134 702800938 /nfs/dbraw/zinc/80/09/38/702800938.db2.gz IIFFCHVIVWKKKO-ZIAGYGMSSA-N 2 2 334.464 1.594 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996512534 702832128 /nfs/dbraw/zinc/83/21/28/702832128.db2.gz DFRJHXDRFGPUBD-CQSZACIVSA-N 2 2 333.461 1.446 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996514420 702849822 /nfs/dbraw/zinc/84/98/22/702849822.db2.gz MFGOIQALCZMFEM-DZGCQCFKSA-N 2 2 334.464 1.550 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)nn1C ZINC000996515308 702850904 /nfs/dbraw/zinc/85/09/04/702850904.db2.gz QCETWTREVMLZAJ-MRXNPFEDSA-N 2 2 344.463 1.031 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n1 ZINC000996520829 702856579 /nfs/dbraw/zinc/85/65/79/702856579.db2.gz QMTYHARHSQCEJH-CYBMUJFWSA-N 2 2 347.463 1.054 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cncc(C)c2)C(C)(C)C1 ZINC000996565463 702886731 /nfs/dbraw/zinc/88/67/31/702886731.db2.gz YQWSXRAOJYLXET-KRWDZBQOSA-N 2 2 341.459 1.991 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000995241833 702900381 /nfs/dbraw/zinc/90/03/81/702900381.db2.gz FVLJPTHKOQEGPI-ZFWWWQNUSA-N 2 2 343.431 1.823 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995251496 702976588 /nfs/dbraw/zinc/97/65/88/702976588.db2.gz PXLQBYCPRUEBNQ-DZGCQCFKSA-N 2 2 331.395 1.492 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)no1 ZINC000996721291 703016520 /nfs/dbraw/zinc/01/65/20/703016520.db2.gz YHSKRZBIVLQECP-CQSZACIVSA-N 2 2 337.468 1.443 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncs2)C[C@H]1C ZINC000942518429 703017934 /nfs/dbraw/zinc/01/79/34/703017934.db2.gz RLBRAZMTHPPRPC-IUODEOHRSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cncs2)C[C@H]1C ZINC000942518429 703017936 /nfs/dbraw/zinc/01/79/36/703017936.db2.gz RLBRAZMTHPPRPC-IUODEOHRSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cncs2)C[C@H]1C ZINC000942518428 703017972 /nfs/dbraw/zinc/01/79/72/703017972.db2.gz RLBRAZMTHPPRPC-DOMZBBRYSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cncs2)C[C@H]1C ZINC000942518428 703017973 /nfs/dbraw/zinc/01/79/73/703017973.db2.gz RLBRAZMTHPPRPC-DOMZBBRYSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000996729606 703026580 /nfs/dbraw/zinc/02/65/80/703026580.db2.gz DXCDFWOSFNZJSB-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996759161 703047948 /nfs/dbraw/zinc/04/79/48/703047948.db2.gz PYQUPPYPIVTMHE-LBPRGKRZSA-N 2 2 346.460 1.078 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996763178 703055234 /nfs/dbraw/zinc/05/52/34/703055234.db2.gz XUFFXALAYWEPFT-CABCVRRESA-N 2 2 332.448 1.063 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555344 703068699 /nfs/dbraw/zinc/06/86/99/703068699.db2.gz JBZSEGRMWPEBES-GOEBONIOSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555344 703068701 /nfs/dbraw/zinc/06/87/01/703068701.db2.gz JBZSEGRMWPEBES-GOEBONIOSA-N 2 2 334.464 1.876 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2=CCCCC2)C1 ZINC001032331584 703111973 /nfs/dbraw/zinc/11/19/73/703111973.db2.gz FPLAXFWPKKMDNB-BZSNNMDCSA-N 2 2 333.476 1.493 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2=CCCCC2)C1 ZINC001032331584 703111976 /nfs/dbraw/zinc/11/19/76/703111976.db2.gz FPLAXFWPKKMDNB-BZSNNMDCSA-N 2 2 333.476 1.493 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2=CCCCC2)C1 ZINC001032331584 703111979 /nfs/dbraw/zinc/11/19/79/703111979.db2.gz FPLAXFWPKKMDNB-BZSNNMDCSA-N 2 2 333.476 1.493 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2=CCCCC2)C1 ZINC001032331584 703111982 /nfs/dbraw/zinc/11/19/82/703111982.db2.gz FPLAXFWPKKMDNB-BZSNNMDCSA-N 2 2 333.476 1.493 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996833419 703115910 /nfs/dbraw/zinc/11/59/10/703115910.db2.gz IGYLELTWNWZUTK-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)[nH]1 ZINC000996861489 703144718 /nfs/dbraw/zinc/14/47/18/703144718.db2.gz XOTDTQNLJQHTNY-GFCCVEGCSA-N 2 2 331.424 1.042 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)on1 ZINC001032042963 703210810 /nfs/dbraw/zinc/21/08/10/703210810.db2.gz PTZOKVLIRQLWQN-ZBFHGGJFSA-N 2 2 348.447 1.248 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)on1 ZINC001032042963 703210812 /nfs/dbraw/zinc/21/08/12/703210812.db2.gz PTZOKVLIRQLWQN-ZBFHGGJFSA-N 2 2 348.447 1.248 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032043120 703215909 /nfs/dbraw/zinc/21/59/09/703215909.db2.gz VOCDSYFBTNJEER-HUUCEWRRSA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032043120 703215911 /nfs/dbraw/zinc/21/59/11/703215911.db2.gz VOCDSYFBTNJEER-HUUCEWRRSA-N 2 2 349.504 1.411 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000997028447 703279982 /nfs/dbraw/zinc/27/99/82/703279982.db2.gz WJLVKMWWFOKMNA-DJIMGWMZSA-N 2 2 346.475 1.531 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2cscn2)CC1 ZINC000997019485 703281665 /nfs/dbraw/zinc/28/16/65/703281665.db2.gz AOMILHABCSQECB-HUUCEWRRSA-N 2 2 345.472 1.761 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000997021439 703282996 /nfs/dbraw/zinc/28/29/96/703282996.db2.gz HJRCYYGVWKTSMV-BRWVUGGUSA-N 2 2 346.475 1.673 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c(C)s1 ZINC000997042518 703292403 /nfs/dbraw/zinc/29/24/03/703292403.db2.gz QAUQFJQXGGJSDW-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP Cc1nnsc1C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000997047512 703300999 /nfs/dbraw/zinc/30/09/99/703300999.db2.gz ZUCHZQYUYPRUTR-GFCCVEGCSA-N 2 2 348.476 1.775 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000997095087 703334441 /nfs/dbraw/zinc/33/44/41/703334441.db2.gz ZKBPKOCWCBDIPS-UHFFFAOYSA-N 2 2 345.487 1.878 20 0 EDADLP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997185248 703474302 /nfs/dbraw/zinc/47/43/02/703474302.db2.gz ZSLXBXFOJLCVQA-CZUORRHYSA-N 2 2 348.491 1.686 20 0 EDADLP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997185248 703474303 /nfs/dbraw/zinc/47/43/03/703474303.db2.gz ZSLXBXFOJLCVQA-CZUORRHYSA-N 2 2 348.491 1.686 20 0 EDADLP CC1CC(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)CC2)C1 ZINC000997343204 703574373 /nfs/dbraw/zinc/57/43/73/703574373.db2.gz ASTUBUBMAPEGHZ-RJYAGPCLSA-N 2 2 349.519 1.724 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cn(C)nc1C ZINC001032432869 703601850 /nfs/dbraw/zinc/60/18/50/703601850.db2.gz FFINZWGLDOBAKW-BZSNNMDCSA-N 2 2 345.491 1.388 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cn(C)nc1C ZINC001032432869 703601852 /nfs/dbraw/zinc/60/18/52/703601852.db2.gz FFINZWGLDOBAKW-BZSNNMDCSA-N 2 2 345.491 1.388 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cn(C)nc1C ZINC001032432869 703601853 /nfs/dbraw/zinc/60/18/53/703601853.db2.gz FFINZWGLDOBAKW-BZSNNMDCSA-N 2 2 345.491 1.388 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn(C)nc1C ZINC001032432869 703601856 /nfs/dbraw/zinc/60/18/56/703601856.db2.gz FFINZWGLDOBAKW-BZSNNMDCSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032443237 703619399 /nfs/dbraw/zinc/61/93/99/703619399.db2.gz OZGVNENYPKFDFU-IRXDYDNUSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032443237 703619401 /nfs/dbraw/zinc/61/94/01/703619401.db2.gz OZGVNENYPKFDFU-IRXDYDNUSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032454192 703640829 /nfs/dbraw/zinc/64/08/29/703640829.db2.gz HRKBFXDSVHUWPH-ULQDDVLXSA-N 2 2 346.475 1.951 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032454192 703640831 /nfs/dbraw/zinc/64/08/31/703640831.db2.gz HRKBFXDSVHUWPH-ULQDDVLXSA-N 2 2 346.475 1.951 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032454192 703640832 /nfs/dbraw/zinc/64/08/32/703640832.db2.gz HRKBFXDSVHUWPH-ULQDDVLXSA-N 2 2 346.475 1.951 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032454192 703640834 /nfs/dbraw/zinc/64/08/34/703640834.db2.gz HRKBFXDSVHUWPH-ULQDDVLXSA-N 2 2 346.475 1.951 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000997412473 703668126 /nfs/dbraw/zinc/66/81/26/703668126.db2.gz AEGIYEBIVAUWEE-KRWDZBQOSA-N 2 2 334.464 1.405 20 0 EDADLP CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475118 703695206 /nfs/dbraw/zinc/69/52/06/703695206.db2.gz FLLILOMAZFPZGW-JYJNAYRXSA-N 2 2 341.471 1.378 20 0 EDADLP CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475118 703695207 /nfs/dbraw/zinc/69/52/07/703695207.db2.gz FLLILOMAZFPZGW-JYJNAYRXSA-N 2 2 341.471 1.378 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004203256 703938567 /nfs/dbraw/zinc/93/85/67/703938567.db2.gz KIZLYDLRBDFSPR-STQMWFEESA-N 2 2 335.452 1.331 20 0 EDADLP CNC(=O)C[NH+]1CCC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000997640265 703945086 /nfs/dbraw/zinc/94/50/86/703945086.db2.gz AANABPARZAQYDU-LBPRGKRZSA-N 2 2 343.431 1.139 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001004210662 703957730 /nfs/dbraw/zinc/95/77/30/703957730.db2.gz YOFBHOJJFNROOP-INIZCTEOSA-N 2 2 331.464 1.432 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001004210662 703957733 /nfs/dbraw/zinc/95/77/33/703957733.db2.gz YOFBHOJJFNROOP-INIZCTEOSA-N 2 2 331.464 1.432 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1)C2 ZINC000997648577 703963941 /nfs/dbraw/zinc/96/39/41/703963941.db2.gz JEHXGXSDBJCJJR-SWLSCSKDSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1)CC2 ZINC000997648577 703963942 /nfs/dbraw/zinc/96/39/42/703963942.db2.gz JEHXGXSDBJCJJR-SWLSCSKDSA-N 2 2 334.464 1.032 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995553786 703965400 /nfs/dbraw/zinc/96/54/00/703965400.db2.gz TVWGBNHUNWETOY-UONOGXRCSA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995553786 703965403 /nfs/dbraw/zinc/96/54/03/703965403.db2.gz TVWGBNHUNWETOY-UONOGXRCSA-N 2 2 349.479 1.614 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001004207769 703967185 /nfs/dbraw/zinc/96/71/85/703967185.db2.gz JCHMLRKWXDANDD-QGZVFWFLSA-N 2 2 333.480 1.375 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001004207769 703967188 /nfs/dbraw/zinc/96/71/88/703967188.db2.gz JCHMLRKWXDANDD-QGZVFWFLSA-N 2 2 333.480 1.375 20 0 EDADLP COCc1ccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC001004256068 704082927 /nfs/dbraw/zinc/08/29/27/704082927.db2.gz CNVYABUVZHTJCS-UHFFFAOYSA-N 2 2 342.443 1.810 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001033074132 704116912 /nfs/dbraw/zinc/11/69/12/704116912.db2.gz WBQIRIUAJYYWTO-RDJZCZTQSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)on1 ZINC001033074132 704116914 /nfs/dbraw/zinc/11/69/14/704116914.db2.gz WBQIRIUAJYYWTO-RDJZCZTQSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001033074132 704116918 /nfs/dbraw/zinc/11/69/18/704116918.db2.gz WBQIRIUAJYYWTO-RDJZCZTQSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001033074132 704116921 /nfs/dbraw/zinc/11/69/21/704116921.db2.gz WBQIRIUAJYYWTO-RDJZCZTQSA-N 2 2 334.464 1.889 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004458683 704452579 /nfs/dbraw/zinc/45/25/79/704452579.db2.gz QBPAFEYXIFEJSL-NUJGCVRESA-N 2 2 346.475 1.599 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004458683 704452580 /nfs/dbraw/zinc/45/25/80/704452580.db2.gz QBPAFEYXIFEJSL-NUJGCVRESA-N 2 2 346.475 1.599 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004458683 704452581 /nfs/dbraw/zinc/45/25/81/704452581.db2.gz QBPAFEYXIFEJSL-NUJGCVRESA-N 2 2 346.475 1.599 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004458683 704452582 /nfs/dbraw/zinc/45/25/82/704452582.db2.gz QBPAFEYXIFEJSL-NUJGCVRESA-N 2 2 346.475 1.599 20 0 EDADLP CCn1ccc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000997732063 704623390 /nfs/dbraw/zinc/62/33/90/704623390.db2.gz BJJJQMJZOQACAW-UHFFFAOYSA-N 2 2 344.463 1.587 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)ncn1 ZINC000997818053 704735221 /nfs/dbraw/zinc/73/52/21/704735221.db2.gz TWHSHMDZILYNRJ-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)ncn1 ZINC000997818053 704735223 /nfs/dbraw/zinc/73/52/23/704735223.db2.gz TWHSHMDZILYNRJ-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)nc1 ZINC000944918676 704769856 /nfs/dbraw/zinc/76/98/56/704769856.db2.gz LEBNNMPIWXQKOM-JKSUJKDBSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)nc1 ZINC000944918676 704769858 /nfs/dbraw/zinc/76/98/58/704769858.db2.gz LEBNNMPIWXQKOM-JKSUJKDBSA-N 2 2 331.464 1.207 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997871912 704777761 /nfs/dbraw/zinc/77/77/61/704777761.db2.gz JXDHLKKRKSZQTN-SJORKVTESA-N 2 2 346.475 1.310 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997953585 705081786 /nfs/dbraw/zinc/08/17/86/705081786.db2.gz WSYYEBWFQCYPIQ-UHFFFAOYSA-N 2 2 334.449 1.153 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)CCO1 ZINC000997953657 705083024 /nfs/dbraw/zinc/08/30/24/705083024.db2.gz XFVVPQMSESHMCD-WMZOPIPTSA-N 2 2 348.491 1.917 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCCO1 ZINC001032592939 705205179 /nfs/dbraw/zinc/20/51/79/705205179.db2.gz VTMUQIBVGWGACY-YESZJQIVSA-N 2 2 347.459 1.809 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCCO1 ZINC001032592939 705205181 /nfs/dbraw/zinc/20/51/81/705205181.db2.gz VTMUQIBVGWGACY-YESZJQIVSA-N 2 2 347.459 1.809 20 0 EDADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998046298 705242300 /nfs/dbraw/zinc/24/23/00/705242300.db2.gz OLPDAJOODCHEOP-DLBZAZTESA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998046298 705242306 /nfs/dbraw/zinc/24/23/06/705242306.db2.gz OLPDAJOODCHEOP-DLBZAZTESA-N 2 2 348.491 1.531 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)n1cc[nH+]c1 ZINC000998122555 705375458 /nfs/dbraw/zinc/37/54/58/705375458.db2.gz AOAAWSQBMTXAIX-ZDUSSCGKSA-N 2 2 348.476 1.714 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998137896 705402955 /nfs/dbraw/zinc/40/29/55/705402955.db2.gz BUBNUIQQMMSLPG-GOEBONIOSA-N 2 2 334.464 1.453 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998137896 705402958 /nfs/dbraw/zinc/40/29/58/705402958.db2.gz BUBNUIQQMMSLPG-GOEBONIOSA-N 2 2 334.464 1.453 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO[C@@H]1CC1(F)F)[NH+](C)C ZINC001032611009 705580920 /nfs/dbraw/zinc/58/09/20/705580920.db2.gz BUKIWUWHTCNFHO-BYNSBNAKSA-N 2 2 345.434 1.282 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO[C@@H]1CC1(F)F)[NH+](C)C ZINC001032611009 705580922 /nfs/dbraw/zinc/58/09/22/705580922.db2.gz BUKIWUWHTCNFHO-BYNSBNAKSA-N 2 2 345.434 1.282 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC000998262711 705628116 /nfs/dbraw/zinc/62/81/16/705628116.db2.gz RCYOYEJNNNWAQK-MNOVXSKESA-N 2 2 336.333 1.681 20 0 EDADLP CCn1ccc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000998298083 705701316 /nfs/dbraw/zinc/70/13/16/705701316.db2.gz UXXPENLJOYAJPL-UHFFFAOYSA-N 2 2 330.436 1.128 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000998723997 706155870 /nfs/dbraw/zinc/15/58/70/706155870.db2.gz TWOYGWQJFOYOBL-KBPBESRZSA-N 2 2 333.436 1.122 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000998723997 706155874 /nfs/dbraw/zinc/15/58/74/706155874.db2.gz TWOYGWQJFOYOBL-KBPBESRZSA-N 2 2 333.436 1.122 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC000998721621 706157274 /nfs/dbraw/zinc/15/72/74/706157274.db2.gz MZZSRINNDJAGHU-KBPBESRZSA-N 2 2 334.468 1.103 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)[nH]1 ZINC000998721621 706157277 /nfs/dbraw/zinc/15/72/77/706157277.db2.gz MZZSRINNDJAGHU-KBPBESRZSA-N 2 2 334.468 1.103 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)C1CC([NH2+]CCF)C1 ZINC000998788718 706235999 /nfs/dbraw/zinc/23/59/99/706235999.db2.gz SBMQECOFJPYJGG-PRLABOORSA-N 2 2 334.439 1.702 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)no1 ZINC000998995458 706413295 /nfs/dbraw/zinc/41/32/95/706413295.db2.gz STFIEPGXDYKJCO-NRXISQOPSA-N 2 2 349.479 1.585 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)no1 ZINC000998995458 706413297 /nfs/dbraw/zinc/41/32/97/706413297.db2.gz STFIEPGXDYKJCO-NRXISQOPSA-N 2 2 349.479 1.585 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999011633 706431339 /nfs/dbraw/zinc/43/13/39/706431339.db2.gz NYQCOEKJLNSWRR-KLAILNCOSA-N 2 2 346.475 1.451 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999143310 706556716 /nfs/dbraw/zinc/55/67/16/706556716.db2.gz GFJQHCUFFIEKRC-HUUCEWRRSA-N 2 2 335.452 1.331 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999143310 706556717 /nfs/dbraw/zinc/55/67/17/706556717.db2.gz GFJQHCUFFIEKRC-HUUCEWRRSA-N 2 2 335.452 1.331 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000999400220 706894966 /nfs/dbraw/zinc/89/49/66/706894966.db2.gz JVXKCAGXUSUBJB-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000999400220 706894970 /nfs/dbraw/zinc/89/49/70/706894970.db2.gz JVXKCAGXUSUBJB-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)no1 ZINC000999402532 706910662 /nfs/dbraw/zinc/91/06/62/706910662.db2.gz GKZZXHHYMABRDQ-UHFFFAOYSA-N 2 2 349.479 1.443 20 0 EDADLP COCc1nc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cs1 ZINC000999470796 706979639 /nfs/dbraw/zinc/97/96/39/706979639.db2.gz WOMGXMPEHOAKFS-UHFFFAOYSA-N 2 2 349.460 1.334 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000999488778 707024611 /nfs/dbraw/zinc/02/46/11/707024611.db2.gz GYNHTKMSKUPFEO-WBVHZDCISA-N 2 2 347.459 1.640 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]Cc2cscn2)C1 ZINC000999537834 707038700 /nfs/dbraw/zinc/03/87/00/707038700.db2.gz UWZWBTFSNZUMHG-KGLIPLIRSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)o1 ZINC000999538820 707039590 /nfs/dbraw/zinc/03/95/90/707039590.db2.gz ZKWUHLPYGLBCEC-GJZGRUSLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999545003 707045195 /nfs/dbraw/zinc/04/51/95/707045195.db2.gz JWIMNUCWCDBULV-GDBMZVCRSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000999545920 707046074 /nfs/dbraw/zinc/04/60/74/707046074.db2.gz MKAKFBIILKFLEH-KGLIPLIRSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999548662 707047744 /nfs/dbraw/zinc/04/77/44/707047744.db2.gz QXJONLQBSIWPNS-HOCLYGCPSA-N 2 2 343.431 1.523 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccns3)C2)no1 ZINC000999564197 707060410 /nfs/dbraw/zinc/06/04/10/707060410.db2.gz XXEBGGCTYAVMNT-GFCCVEGCSA-N 2 2 349.460 1.587 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999564169 707060455 /nfs/dbraw/zinc/06/04/55/707060455.db2.gz XHWWMJSDRWMJAK-CYBMUJFWSA-N 2 2 347.419 1.427 20 0 EDADLP COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000999605335 707069929 /nfs/dbraw/zinc/06/99/29/707069929.db2.gz IANFCRZGIONQIN-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)cc1F ZINC000999605369 707069962 /nfs/dbraw/zinc/06/99/62/707069962.db2.gz JTPCLFIXZHMLPW-UHFFFAOYSA-N 2 2 346.406 1.879 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999598676 707101422 /nfs/dbraw/zinc/10/14/22/707101422.db2.gz WUYSJXGIYCDVNQ-AWEZNQCLSA-N 2 2 333.436 1.087 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000999689152 707244272 /nfs/dbraw/zinc/24/42/72/707244272.db2.gz OKUAGXSFYKAZFS-PKSQDBQZSA-N 2 2 348.476 1.463 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999689632 707245096 /nfs/dbraw/zinc/24/50/96/707245096.db2.gz HUISGTXIMWCPQM-CVEARBPZSA-N 2 2 342.443 1.955 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)sn1 ZINC001033265733 707290445 /nfs/dbraw/zinc/29/04/45/707290445.db2.gz JIAFROPAWCBVKF-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)sn1 ZINC001033265733 707290449 /nfs/dbraw/zinc/29/04/49/707290449.db2.gz JIAFROPAWCBVKF-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033266739 707294480 /nfs/dbraw/zinc/29/44/80/707294480.db2.gz QZKCACVHCGTYEE-HNNXBMFYSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033266739 707294484 /nfs/dbraw/zinc/29/44/84/707294484.db2.gz QZKCACVHCGTYEE-HNNXBMFYSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033184899 707366936 /nfs/dbraw/zinc/36/69/36/707366936.db2.gz LRAJGWOEBQEQAQ-ZTFGCOKTSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033184899 707366942 /nfs/dbraw/zinc/36/69/42/707366942.db2.gz LRAJGWOEBQEQAQ-ZTFGCOKTSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033184899 707366948 /nfs/dbraw/zinc/36/69/48/707366948.db2.gz LRAJGWOEBQEQAQ-ZTFGCOKTSA-N 2 2 346.475 1.142 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999800367 707371595 /nfs/dbraw/zinc/37/15/95/707371595.db2.gz OIHRJWKAOCQLRC-QZTJIDSGSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999800367 707371601 /nfs/dbraw/zinc/37/16/01/707371601.db2.gz OIHRJWKAOCQLRC-QZTJIDSGSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)sn1 ZINC001033194072 707430493 /nfs/dbraw/zinc/43/04/93/707430493.db2.gz BCXMMHHRVYFGJB-GDBMZVCRSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)sn1 ZINC001033194072 707430494 /nfs/dbraw/zinc/43/04/94/707430494.db2.gz BCXMMHHRVYFGJB-GDBMZVCRSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)sn1 ZINC001033194072 707430502 /nfs/dbraw/zinc/43/05/02/707430502.db2.gz BCXMMHHRVYFGJB-GDBMZVCRSA-N 2 2 336.505 1.969 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)n1 ZINC001033199456 707448616 /nfs/dbraw/zinc/44/86/16/707448616.db2.gz UDZILIYAPCRMED-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)n1 ZINC001033199456 707448619 /nfs/dbraw/zinc/44/86/19/707448619.db2.gz UDZILIYAPCRMED-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001033199456 707448621 /nfs/dbraw/zinc/44/86/21/707448621.db2.gz UDZILIYAPCRMED-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001033199456 707448623 /nfs/dbraw/zinc/44/86/23/707448623.db2.gz UDZILIYAPCRMED-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033320962 707518146 /nfs/dbraw/zinc/51/81/46/707518146.db2.gz YHUOGMBNJICSQX-OAHLLOKOSA-N 2 2 333.480 1.327 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033320962 707518150 /nfs/dbraw/zinc/51/81/50/707518150.db2.gz YHUOGMBNJICSQX-OAHLLOKOSA-N 2 2 333.480 1.327 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999994651 707673119 /nfs/dbraw/zinc/67/31/19/707673119.db2.gz VXKWVISEVLHLIX-ZBFHGGJFSA-N 2 2 327.444 1.180 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999994651 707673123 /nfs/dbraw/zinc/67/31/23/707673123.db2.gz VXKWVISEVLHLIX-ZBFHGGJFSA-N 2 2 327.444 1.180 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2[nH]c[nH+]c2C)n1 ZINC001032753665 707824680 /nfs/dbraw/zinc/82/46/80/707824680.db2.gz HRWBCQNEWIZSSF-HOTGVXAUSA-N 2 2 342.447 1.059 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2[nH]c[nH+]c2C)n1 ZINC001032753665 707824684 /nfs/dbraw/zinc/82/46/84/707824684.db2.gz HRWBCQNEWIZSSF-HOTGVXAUSA-N 2 2 342.447 1.059 20 0 EDADLP Cc1conc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984913 707833667 /nfs/dbraw/zinc/83/36/67/707833667.db2.gz ZQMHDQTVNQWJOU-YOEHRIQHSA-N 2 2 345.447 1.818 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033227921 707842342 /nfs/dbraw/zinc/84/23/42/707842342.db2.gz HJWBXKGXSVKQHY-QGZVFWFLSA-N 2 2 346.450 1.882 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033227921 707842346 /nfs/dbraw/zinc/84/23/46/707842346.db2.gz HJWBXKGXSVKQHY-QGZVFWFLSA-N 2 2 346.450 1.882 20 0 EDADLP Cc1nonc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001004989678 707848791 /nfs/dbraw/zinc/84/87/91/707848791.db2.gz GQFQJTPKQKLVSU-XJKSGUPXSA-N 2 2 346.435 1.442 20 0 EDADLP C[C@H]([NH2+]Cc1cnsn1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004991267 707855764 /nfs/dbraw/zinc/85/57/64/707855764.db2.gz KPPGFYMRSNZEOP-ZFWWWQNUSA-N 2 2 337.493 1.493 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccon1 ZINC001004991301 707855866 /nfs/dbraw/zinc/85/58/66/707855866.db2.gz LCEJLPGQLDNBLR-CJNGLKHVSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001004994544 707880876 /nfs/dbraw/zinc/88/08/76/707880876.db2.gz VNMYHPIRKJTDKY-WMLDXEAASA-N 2 2 344.463 1.484 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)o1 ZINC001033456556 707904339 /nfs/dbraw/zinc/90/43/39/707904339.db2.gz XQTNHBFAHDBFSC-CQSZACIVSA-N 2 2 331.420 1.544 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)o1 ZINC001033456556 707904344 /nfs/dbraw/zinc/90/43/44/707904344.db2.gz XQTNHBFAHDBFSC-CQSZACIVSA-N 2 2 331.420 1.544 20 0 EDADLP C[C@H]([NH2+]Cc1ccccn1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005008062 707922773 /nfs/dbraw/zinc/92/27/73/707922773.db2.gz GYJQBQBKFMMRQP-RDJZCZTQSA-N 2 2 327.432 1.838 20 0 EDADLP C[C@@H]([NH2+]Cc1ccns1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005011039 707929531 /nfs/dbraw/zinc/92/95/31/707929531.db2.gz RWYRRXAYKUOABR-HIFRSBDPSA-N 2 2 333.461 1.899 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001033455556 707936559 /nfs/dbraw/zinc/93/65/59/707936559.db2.gz LAQURTLMRSCNJX-AWEZNQCLSA-N 2 2 336.827 1.035 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001033455556 707936562 /nfs/dbraw/zinc/93/65/62/707936562.db2.gz LAQURTLMRSCNJX-AWEZNQCLSA-N 2 2 336.827 1.035 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000921771565 708012989 /nfs/dbraw/zinc/01/29/89/708012989.db2.gz ZBHDFZLKYZDBDS-RBUKOAKNSA-N 2 2 346.450 1.825 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000921771565 708012991 /nfs/dbraw/zinc/01/29/91/708012991.db2.gz ZBHDFZLKYZDBDS-RBUKOAKNSA-N 2 2 346.450 1.825 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000921771563 708013075 /nfs/dbraw/zinc/01/30/75/708013075.db2.gz ZBHDFZLKYZDBDS-OALUTQOASA-N 2 2 346.450 1.825 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000921771563 708013077 /nfs/dbraw/zinc/01/30/77/708013077.db2.gz ZBHDFZLKYZDBDS-OALUTQOASA-N 2 2 346.450 1.825 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C)cc2)C1 ZINC001032795980 708065887 /nfs/dbraw/zinc/06/58/87/708065887.db2.gz XTNPKKLJKSVHTR-FHWLQOOXSA-N 2 2 343.471 1.501 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C)cc2)C1 ZINC001032795980 708065889 /nfs/dbraw/zinc/06/58/89/708065889.db2.gz XTNPKKLJKSVHTR-FHWLQOOXSA-N 2 2 343.471 1.501 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C)cc2)C1 ZINC001032795980 708065891 /nfs/dbraw/zinc/06/58/91/708065891.db2.gz XTNPKKLJKSVHTR-FHWLQOOXSA-N 2 2 343.471 1.501 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C)cc2)C1 ZINC001032795980 708065893 /nfs/dbraw/zinc/06/58/93/708065893.db2.gz XTNPKKLJKSVHTR-FHWLQOOXSA-N 2 2 343.471 1.501 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)cs1 ZINC001000800537 708066923 /nfs/dbraw/zinc/06/69/23/708066923.db2.gz LRPVXXOVYOUUSA-CYBMUJFWSA-N 2 2 333.461 1.806 20 0 EDADLP CO[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139105 708099725 /nfs/dbraw/zinc/09/97/25/708099725.db2.gz JQBUQUBKLUYQKH-HIFRSBDPSA-N 2 2 332.448 1.613 20 0 EDADLP CO[C@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139105 708099727 /nfs/dbraw/zinc/09/97/27/708099727.db2.gz JQBUQUBKLUYQKH-HIFRSBDPSA-N 2 2 332.448 1.613 20 0 EDADLP Cc1cccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)c1 ZINC001032814623 708146755 /nfs/dbraw/zinc/14/67/55/708146755.db2.gz IAQGCLDCBFRNGE-IRXDYDNUSA-N 2 2 340.427 1.556 20 0 EDADLP Cc1cccc(OCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)c1 ZINC001032814623 708146756 /nfs/dbraw/zinc/14/67/56/708146756.db2.gz IAQGCLDCBFRNGE-IRXDYDNUSA-N 2 2 340.427 1.556 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033582963 708266773 /nfs/dbraw/zinc/26/67/73/708266773.db2.gz RYGOFTIKTDYSQF-HOTGVXAUSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033582963 708266777 /nfs/dbraw/zinc/26/67/77/708266777.db2.gz RYGOFTIKTDYSQF-HOTGVXAUSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033582963 708266781 /nfs/dbraw/zinc/26/67/81/708266781.db2.gz RYGOFTIKTDYSQF-HOTGVXAUSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033582963 708266782 /nfs/dbraw/zinc/26/67/82/708266782.db2.gz RYGOFTIKTDYSQF-HOTGVXAUSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)c(C)n1 ZINC001033595539 708299351 /nfs/dbraw/zinc/29/93/51/708299351.db2.gz UJSXBEAMBVENAZ-KRWDZBQOSA-N 2 2 341.459 1.707 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)c(C)n1 ZINC001033595539 708299352 /nfs/dbraw/zinc/29/93/52/708299352.db2.gz UJSXBEAMBVENAZ-KRWDZBQOSA-N 2 2 341.459 1.707 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002121082 708634632 /nfs/dbraw/zinc/63/46/32/708634632.db2.gz NOHXXKQEPTVGHQ-HNNXBMFYSA-N 2 2 349.479 1.473 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002121082 708634635 /nfs/dbraw/zinc/63/46/35/708634635.db2.gz NOHXXKQEPTVGHQ-HNNXBMFYSA-N 2 2 349.479 1.473 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005407114 708936489 /nfs/dbraw/zinc/93/64/89/708936489.db2.gz LVSONBAWXLUQPH-BFYDXBDKSA-N 2 2 345.491 1.801 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005407114 708936491 /nfs/dbraw/zinc/93/64/91/708936491.db2.gz LVSONBAWXLUQPH-BFYDXBDKSA-N 2 2 345.491 1.801 20 0 EDADLP Cc1nc(N[C@@H]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC001061092396 708997128 /nfs/dbraw/zinc/99/71/28/708997128.db2.gz PMTWWGRVZFTSCK-HZPDHXFCSA-N 2 2 331.464 1.966 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033927827 709058838 /nfs/dbraw/zinc/05/88/38/709058838.db2.gz QPZIIGMCVMSUBU-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033927827 709058842 /nfs/dbraw/zinc/05/88/42/709058842.db2.gz QPZIIGMCVMSUBU-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033927827 709058844 /nfs/dbraw/zinc/05/88/44/709058844.db2.gz QPZIIGMCVMSUBU-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033927827 709058848 /nfs/dbraw/zinc/05/88/48/709058848.db2.gz QPZIIGMCVMSUBU-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001005477434 709103478 /nfs/dbraw/zinc/10/34/78/709103478.db2.gz RJUJEJRGOIDTAP-QGZVFWFLSA-N 2 2 334.464 1.972 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001005477434 709103480 /nfs/dbraw/zinc/10/34/80/709103480.db2.gz RJUJEJRGOIDTAP-QGZVFWFLSA-N 2 2 334.464 1.972 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001033941231 709147897 /nfs/dbraw/zinc/14/78/97/709147897.db2.gz NULXOBGHGUWKKK-DOTOQJQBSA-N 2 2 345.491 1.802 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001033941231 709147898 /nfs/dbraw/zinc/14/78/98/709147898.db2.gz NULXOBGHGUWKKK-DOTOQJQBSA-N 2 2 345.491 1.802 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001034017344 709234756 /nfs/dbraw/zinc/23/47/56/709234756.db2.gz QZRZWRNYTHBTDE-MRXNPFEDSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001034017344 709234758 /nfs/dbraw/zinc/23/47/58/709234758.db2.gz QZRZWRNYTHBTDE-MRXNPFEDSA-N 2 2 332.448 1.502 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832798 709443698 /nfs/dbraw/zinc/44/36/98/709443698.db2.gz MQVRQELUVVIJMB-RHSMWYFYSA-N 2 2 343.475 1.460 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)ncn1 ZINC001034270464 709676114 /nfs/dbraw/zinc/67/61/14/709676114.db2.gz HNVZKCGAFOVUNX-AEFFLSMTSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC001034270464 709676116 /nfs/dbraw/zinc/67/61/16/709676116.db2.gz HNVZKCGAFOVUNX-AEFFLSMTSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)ncn1 ZINC001034270464 709676118 /nfs/dbraw/zinc/67/61/18/709676118.db2.gz HNVZKCGAFOVUNX-AEFFLSMTSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)ncn1 ZINC001034270464 709676120 /nfs/dbraw/zinc/67/61/20/709676120.db2.gz HNVZKCGAFOVUNX-AEFFLSMTSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cnc(C)cn2)C1 ZINC001034310463 709753633 /nfs/dbraw/zinc/75/36/33/709753633.db2.gz YHAOBGNDAABZPW-MRXNPFEDSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001034310463 709753634 /nfs/dbraw/zinc/75/36/34/709753634.db2.gz YHAOBGNDAABZPW-MRXNPFEDSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1oncc1C[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001003016489 709804712 /nfs/dbraw/zinc/80/47/12/709804712.db2.gz JULGQTGJAXDSBA-INIZCTEOSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)nn1C ZINC001034396754 709936660 /nfs/dbraw/zinc/93/66/60/709936660.db2.gz HQDHRJTYSCLVGW-WBVHZDCISA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1C ZINC001034396754 709936662 /nfs/dbraw/zinc/93/66/62/709936662.db2.gz HQDHRJTYSCLVGW-WBVHZDCISA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)nn1C ZINC001034396754 709936664 /nfs/dbraw/zinc/93/66/64/709936664.db2.gz HQDHRJTYSCLVGW-WBVHZDCISA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)nn1C ZINC001034396754 709936667 /nfs/dbraw/zinc/93/66/67/709936667.db2.gz HQDHRJTYSCLVGW-WBVHZDCISA-N 2 2 347.507 1.684 20 0 EDADLP Cc1nnc(C[N@H+]2CCCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001034431493 709999206 /nfs/dbraw/zinc/99/92/06/709999206.db2.gz LMNYTRISXRWFNL-MRXNPFEDSA-N 2 2 349.479 1.581 20 0 EDADLP Cc1nnc(C[N@@H+]2CCCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001034431493 709999210 /nfs/dbraw/zinc/99/92/10/709999210.db2.gz LMNYTRISXRWFNL-MRXNPFEDSA-N 2 2 349.479 1.581 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCNC2=O)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001003156299 710059498 /nfs/dbraw/zinc/05/94/98/710059498.db2.gz OQLRNJBUIIGIBH-MRXNPFEDSA-N 2 2 341.415 1.036 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034490617 710109458 /nfs/dbraw/zinc/10/94/58/710109458.db2.gz MIKQEWYNUZXHMR-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001034490617 710109460 /nfs/dbraw/zinc/10/94/60/710109460.db2.gz MIKQEWYNUZXHMR-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034490617 710109461 /nfs/dbraw/zinc/10/94/61/710109461.db2.gz MIKQEWYNUZXHMR-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034490617 710109462 /nfs/dbraw/zinc/10/94/62/710109462.db2.gz MIKQEWYNUZXHMR-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034491419 710111694 /nfs/dbraw/zinc/11/16/94/710111694.db2.gz USGSCLBKXCSISQ-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034491419 710111695 /nfs/dbraw/zinc/11/16/95/710111695.db2.gz USGSCLBKXCSISQ-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034491419 710111696 /nfs/dbraw/zinc/11/16/96/710111696.db2.gz USGSCLBKXCSISQ-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034491419 710111697 /nfs/dbraw/zinc/11/16/97/710111697.db2.gz USGSCLBKXCSISQ-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485632 710131773 /nfs/dbraw/zinc/13/17/73/710131773.db2.gz RYFRGKMJXLLSPJ-AWEZNQCLSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485632 710131777 /nfs/dbraw/zinc/13/17/77/710131777.db2.gz RYFRGKMJXLLSPJ-AWEZNQCLSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC001034524794 710174022 /nfs/dbraw/zinc/17/40/22/710174022.db2.gz HZIPAQHILZXXOX-GJZGRUSLSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)s1 ZINC001034524794 710174023 /nfs/dbraw/zinc/17/40/23/710174023.db2.gz HZIPAQHILZXXOX-GJZGRUSLSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)s1 ZINC001034524794 710174024 /nfs/dbraw/zinc/17/40/24/710174024.db2.gz HZIPAQHILZXXOX-GJZGRUSLSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)s1 ZINC001034524794 710174025 /nfs/dbraw/zinc/17/40/25/710174025.db2.gz HZIPAQHILZXXOX-GJZGRUSLSA-N 2 2 336.505 1.874 20 0 EDADLP COc1cccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034528716 710182794 /nfs/dbraw/zinc/18/27/94/710182794.db2.gz POIKKYHKIRGYQV-INIZCTEOSA-N 2 2 346.475 1.657 20 0 EDADLP COc1cccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034528716 710182797 /nfs/dbraw/zinc/18/27/97/710182797.db2.gz POIKKYHKIRGYQV-INIZCTEOSA-N 2 2 346.475 1.657 20 0 EDADLP C[C@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529416 710183867 /nfs/dbraw/zinc/18/38/67/710183867.db2.gz ZXRZHSDQRYKODI-CVEARBPZSA-N 2 2 331.464 1.604 20 0 EDADLP C[C@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529416 710183868 /nfs/dbraw/zinc/18/38/68/710183868.db2.gz ZXRZHSDQRYKODI-CVEARBPZSA-N 2 2 331.464 1.604 20 0 EDADLP Cc1cccnc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547740 710222378 /nfs/dbraw/zinc/22/23/78/710222378.db2.gz YDSJNKDQKNVYCG-MRXNPFEDSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1cccnc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547740 710222380 /nfs/dbraw/zinc/22/23/80/710222380.db2.gz YDSJNKDQKNVYCG-MRXNPFEDSA-N 2 2 327.432 1.757 20 0 EDADLP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000922190924 710386969 /nfs/dbraw/zinc/38/69/69/710386969.db2.gz QRVDMYDDDNYGCN-DLBZAZTESA-N 2 2 348.516 1.607 20 0 EDADLP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000922190924 710386970 /nfs/dbraw/zinc/38/69/70/710386970.db2.gz QRVDMYDDDNYGCN-DLBZAZTESA-N 2 2 348.516 1.607 20 0 EDADLP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000922190924 710386974 /nfs/dbraw/zinc/38/69/74/710386974.db2.gz QRVDMYDDDNYGCN-DLBZAZTESA-N 2 2 348.516 1.607 20 0 EDADLP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000922190924 710386976 /nfs/dbraw/zinc/38/69/76/710386976.db2.gz QRVDMYDDDNYGCN-DLBZAZTESA-N 2 2 348.516 1.607 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001003606472 710446802 /nfs/dbraw/zinc/44/68/02/710446802.db2.gz MOHGVVAPUYWHRB-HOCLYGCPSA-N 2 2 346.475 1.837 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)oc1C ZINC001003625220 710454426 /nfs/dbraw/zinc/45/44/26/710454426.db2.gz CSGSIZFPYRODGI-CYBMUJFWSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)oc1C ZINC001003625220 710454428 /nfs/dbraw/zinc/45/44/28/710454428.db2.gz CSGSIZFPYRODGI-CYBMUJFWSA-N 2 2 334.464 1.714 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003630714 710459919 /nfs/dbraw/zinc/45/99/19/710459919.db2.gz NPGBSMSIODJFHF-MRXNPFEDSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003630714 710459921 /nfs/dbraw/zinc/45/99/21/710459921.db2.gz NPGBSMSIODJFHF-MRXNPFEDSA-N 2 2 347.507 1.886 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](CCc2ccccc2F)CC1 ZINC001003700881 710494934 /nfs/dbraw/zinc/49/49/34/710494934.db2.gz IJVXQVGUYOQNBF-UHFFFAOYSA-N 2 2 330.407 1.915 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003740113 710520393 /nfs/dbraw/zinc/52/03/93/710520393.db2.gz HGVXIMGMBURDTG-HNNXBMFYSA-N 2 2 345.491 1.850 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001034684274 710703977 /nfs/dbraw/zinc/70/39/77/710703977.db2.gz VMHWYQLOSSKBCO-YYIAUSFCSA-N 2 2 346.475 1.499 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005619372 710724147 /nfs/dbraw/zinc/72/41/47/710724147.db2.gz YFBTXXRXGKESQG-CABCVRRESA-N 2 2 334.464 1.403 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034693252 710783218 /nfs/dbraw/zinc/78/32/18/710783218.db2.gz UZFSGVZXYBUHCW-SHTZXODSSA-N 2 2 328.420 1.199 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034776707 711053927 /nfs/dbraw/zinc/05/39/27/711053927.db2.gz YEYPUFIZIAYQNT-HAQNSBGRSA-N 2 2 334.449 1.031 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1F ZINC001032980232 711104587 /nfs/dbraw/zinc/10/45/87/711104587.db2.gz LSPUGAKECCXTNW-AEFFLSMTSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1F ZINC001032980232 711104588 /nfs/dbraw/zinc/10/45/88/711104588.db2.gz LSPUGAKECCXTNW-AEFFLSMTSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1F ZINC001032980232 711104590 /nfs/dbraw/zinc/10/45/90/711104590.db2.gz LSPUGAKECCXTNW-AEFFLSMTSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1F ZINC001032980232 711104592 /nfs/dbraw/zinc/10/45/92/711104592.db2.gz LSPUGAKECCXTNW-AEFFLSMTSA-N 2 2 349.450 1.497 20 0 EDADLP CCc1nocc1C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003972019 711124390 /nfs/dbraw/zinc/12/43/90/711124390.db2.gz TXCZQFSYXZWUKA-UHFFFAOYSA-N 2 2 331.420 1.294 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC001003977855 711150725 /nfs/dbraw/zinc/15/07/25/711150725.db2.gz YYHOOLOEOOYKIL-OAHLLOKOSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001003977855 711150729 /nfs/dbraw/zinc/15/07/29/711150729.db2.gz YYHOOLOEOOYKIL-OAHLLOKOSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001034890362 711346073 /nfs/dbraw/zinc/34/60/73/711346073.db2.gz BLZJWMCOCCOQMJ-QZTJIDSGSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001034890362 711346076 /nfs/dbraw/zinc/34/60/76/711346076.db2.gz BLZJWMCOCCOQMJ-QZTJIDSGSA-N 2 2 331.460 1.406 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001034953721 711418554 /nfs/dbraw/zinc/41/85/54/711418554.db2.gz HFSUGPVSFXJLGP-HUUCEWRRSA-N 2 2 335.452 1.333 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001034953721 711418558 /nfs/dbraw/zinc/41/85/58/711418558.db2.gz HFSUGPVSFXJLGP-HUUCEWRRSA-N 2 2 335.452 1.333 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033125216 711875496 /nfs/dbraw/zinc/87/54/96/711875496.db2.gz BAVOEPUXOFMDCA-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033125216 711875498 /nfs/dbraw/zinc/87/54/98/711875498.db2.gz BAVOEPUXOFMDCA-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033125216 711875500 /nfs/dbraw/zinc/87/55/00/711875500.db2.gz BAVOEPUXOFMDCA-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033125216 711875503 /nfs/dbraw/zinc/87/55/03/711875503.db2.gz BAVOEPUXOFMDCA-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP C[C@@H](CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1)n1cc[nH+]c1 ZINC001004571103 711994248 /nfs/dbraw/zinc/99/42/48/711994248.db2.gz WWRNCNGPZJJJAD-HOCLYGCPSA-N 2 2 347.463 1.023 20 0 EDADLP C[C@@H](CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC(N)=O)CC1)n1cc[nH+]c1 ZINC001004571103 711994252 /nfs/dbraw/zinc/99/42/52/711994252.db2.gz WWRNCNGPZJJJAD-HOCLYGCPSA-N 2 2 347.463 1.023 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033148194 712067287 /nfs/dbraw/zinc/06/72/87/712067287.db2.gz BVMLAWVKDLIQED-HOCLYGCPSA-N 2 2 342.447 1.227 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033148194 712067290 /nfs/dbraw/zinc/06/72/90/712067290.db2.gz BVMLAWVKDLIQED-HOCLYGCPSA-N 2 2 342.447 1.227 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033151072 712117637 /nfs/dbraw/zinc/11/76/37/712117637.db2.gz HQKVQEBUGJRDMA-IRXDYDNUSA-N 2 2 339.443 1.888 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033151072 712117639 /nfs/dbraw/zinc/11/76/39/712117639.db2.gz HQKVQEBUGJRDMA-IRXDYDNUSA-N 2 2 339.443 1.888 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000370536396 712330619 /nfs/dbraw/zinc/33/06/19/712330619.db2.gz SFJOAZQTHWQKFA-MSOLQXFVSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000370536396 712330621 /nfs/dbraw/zinc/33/06/21/712330621.db2.gz SFJOAZQTHWQKFA-MSOLQXFVSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000370536396 712330622 /nfs/dbraw/zinc/33/06/22/712330622.db2.gz SFJOAZQTHWQKFA-MSOLQXFVSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000370536396 712330625 /nfs/dbraw/zinc/33/06/25/712330625.db2.gz SFJOAZQTHWQKFA-MSOLQXFVSA-N 2 2 337.508 1.581 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4[nH]cnc4c3)CC2)CC1 ZINC000051463982 214095638 /nfs/dbraw/zinc/09/56/38/214095638.db2.gz LZYIOJWDGMNLIP-UHFFFAOYSA-N 2 2 341.459 1.851 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000174170641 231138777 /nfs/dbraw/zinc/13/87/77/231138777.db2.gz ULDDVIXKLNTLQO-AEFFLSMTSA-N 2 2 331.460 1.470 20 0 EDADLP CC[C@]1(CO)CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000187714584 529419421 /nfs/dbraw/zinc/41/94/21/529419421.db2.gz FSWFHQLPIHPRSV-SFHVURJKSA-N 2 2 340.512 1.207 20 0 EDADLP CN(C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000174891356 231337005 /nfs/dbraw/zinc/33/70/05/231337005.db2.gz QCLFWSRSJOXNCL-LJQANCHMSA-N 2 2 344.503 1.751 20 0 EDADLP CN(C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000174891356 231337009 /nfs/dbraw/zinc/33/70/09/231337009.db2.gz QCLFWSRSJOXNCL-LJQANCHMSA-N 2 2 344.503 1.751 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000368589240 282250461 /nfs/dbraw/zinc/25/04/61/282250461.db2.gz IEPPSXZBSNVDKO-OKZBNKHCSA-N 2 2 337.508 1.676 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000368589240 282250463 /nfs/dbraw/zinc/25/04/63/282250463.db2.gz IEPPSXZBSNVDKO-OKZBNKHCSA-N 2 2 337.508 1.676 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000168168999 529962325 /nfs/dbraw/zinc/96/23/25/529962325.db2.gz IKSNIGFYXVYZAP-PBHICJAKSA-N 2 2 337.489 1.579 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000560306689 306263775 /nfs/dbraw/zinc/26/37/75/306263775.db2.gz FRVUHGYVFDGPFU-UHFFFAOYSA-N 2 2 349.479 1.018 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435531036 539566238 /nfs/dbraw/zinc/56/62/38/539566238.db2.gz IYGRZAJYHRPRAF-MDMSPXHWSA-N 2 2 325.497 1.015 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435531036 539566242 /nfs/dbraw/zinc/56/62/42/539566242.db2.gz IYGRZAJYHRPRAF-MDMSPXHWSA-N 2 2 325.497 1.015 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435531036 539566246 /nfs/dbraw/zinc/56/62/46/539566246.db2.gz IYGRZAJYHRPRAF-MDMSPXHWSA-N 2 2 325.497 1.015 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435531036 539566251 /nfs/dbraw/zinc/56/62/51/539566251.db2.gz IYGRZAJYHRPRAF-MDMSPXHWSA-N 2 2 325.497 1.015 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000144269956 539586618 /nfs/dbraw/zinc/58/66/18/539586618.db2.gz JQOIXQIKUOWDMN-UHFFFAOYSA-N 2 2 336.395 1.500 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)C1 ZINC000561147294 306282663 /nfs/dbraw/zinc/28/26/63/306282663.db2.gz RDNOFULQTGYEDL-JKSUJKDBSA-N 2 2 327.432 1.903 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000561203660 306284612 /nfs/dbraw/zinc/28/46/12/306284612.db2.gz KCNYGFHLIQJWIV-SJORKVTESA-N 2 2 345.422 1.628 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000342978561 539768790 /nfs/dbraw/zinc/76/87/90/539768790.db2.gz RCFFMWGYXOMIJA-JYJNAYRXSA-N 2 2 349.479 1.139 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)[N@H+](C)C1 ZINC000345589311 539834400 /nfs/dbraw/zinc/83/44/00/539834400.db2.gz UQNRAWKAURBZPU-IRXDYDNUSA-N 2 2 335.423 1.189 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)[N@@H+](C)C1 ZINC000345589311 539834403 /nfs/dbraw/zinc/83/44/03/539834403.db2.gz UQNRAWKAURBZPU-IRXDYDNUSA-N 2 2 335.423 1.189 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000412692502 304027172 /nfs/dbraw/zinc/02/71/72/304027172.db2.gz DGDLQHBETQUOFG-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000412692502 304027174 /nfs/dbraw/zinc/02/71/74/304027174.db2.gz DGDLQHBETQUOFG-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000412692502 304027175 /nfs/dbraw/zinc/02/71/75/304027175.db2.gz DGDLQHBETQUOFG-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000412692502 304027177 /nfs/dbraw/zinc/02/71/77/304027177.db2.gz DGDLQHBETQUOFG-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP COc1cc(Cl)c(C)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000562746875 306307626 /nfs/dbraw/zinc/30/76/26/306307626.db2.gz RYTLOVTZXPNONB-NSHDSACASA-N 2 2 326.828 1.764 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c[nH+]1 ZINC000562789147 306308911 /nfs/dbraw/zinc/30/89/11/306308911.db2.gz ADPLSXLHRUIVIM-JKSUJKDBSA-N 2 2 331.464 1.679 20 0 EDADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC1CCCCC1 ZINC000044714855 138111381 /nfs/dbraw/zinc/11/13/81/138111381.db2.gz OYJCXDISJBJONE-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC1CCCCC1 ZINC000044714855 138111384 /nfs/dbraw/zinc/11/13/84/138111384.db2.gz OYJCXDISJBJONE-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000046098956 138114231 /nfs/dbraw/zinc/11/42/31/138114231.db2.gz LRMAWDMMRRULQL-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000046098956 138114233 /nfs/dbraw/zinc/11/42/33/138114233.db2.gz LRMAWDMMRRULQL-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP CC(C)C[C@@H](CNC(=O)Cc1cn2ccccc2[nH+]1)[NH+]1CCOCC1 ZINC000068747145 138196115 /nfs/dbraw/zinc/19/61/15/138196115.db2.gz KSISCBAFUBMRFJ-KRWDZBQOSA-N 2 2 344.459 1.740 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000072859877 138211077 /nfs/dbraw/zinc/21/10/77/138211077.db2.gz CJKKVTLCUZLFMI-DOTOQJQBSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000072859877 138211079 /nfs/dbraw/zinc/21/10/79/138211079.db2.gz CJKKVTLCUZLFMI-DOTOQJQBSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000072859877 138211081 /nfs/dbraw/zinc/21/10/81/138211081.db2.gz CJKKVTLCUZLFMI-DOTOQJQBSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000072859877 138211082 /nfs/dbraw/zinc/21/10/82/138211082.db2.gz CJKKVTLCUZLFMI-DOTOQJQBSA-N 2 2 333.476 1.974 20 0 EDADLP CC[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1)[NH+](C)C ZINC000413085612 304057554 /nfs/dbraw/zinc/05/75/54/304057554.db2.gz OOHCGHLBJJVAMO-HOTGVXAUSA-N 2 2 330.432 1.975 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000076305821 138247812 /nfs/dbraw/zinc/24/78/12/138247812.db2.gz QVBFNUVQTNSHBK-GOSISDBHSA-N 2 2 348.491 1.671 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1nc(C(C)(C)C)cs1 ZINC000563570667 306339396 /nfs/dbraw/zinc/33/93/96/306339396.db2.gz TUTZLSNKLCEGJD-RYUDHWBXSA-N 2 2 339.509 1.786 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1nc(C(C)(C)C)cs1 ZINC000563570667 306339397 /nfs/dbraw/zinc/33/93/97/306339397.db2.gz TUTZLSNKLCEGJD-RYUDHWBXSA-N 2 2 339.509 1.786 20 0 EDADLP CC[C@H](CSC)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000091099418 138281957 /nfs/dbraw/zinc/28/19/57/138281957.db2.gz FBYOCWBEMXFJCO-OAHLLOKOSA-N 2 2 339.505 1.997 20 0 EDADLP CC[C@H](CSC)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000091099418 138281958 /nfs/dbraw/zinc/28/19/58/138281958.db2.gz FBYOCWBEMXFJCO-OAHLLOKOSA-N 2 2 339.505 1.997 20 0 EDADLP C[C@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C1CC1 ZINC000105142674 138300925 /nfs/dbraw/zinc/30/09/25/138300925.db2.gz FMHVYVLKZBULCW-CQSZACIVSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C1CC1 ZINC000105142674 138300926 /nfs/dbraw/zinc/30/09/26/138300926.db2.gz FMHVYVLKZBULCW-CQSZACIVSA-N 2 2 331.464 1.832 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCCC3=CCCCC3)C2)CC1 ZINC000107372374 138304202 /nfs/dbraw/zinc/30/42/02/138304202.db2.gz OUSLQKOKVUFESK-IBGZPJMESA-N 2 2 348.535 1.705 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCCC3=CCCCC3)C2)CC1 ZINC000107372374 138304203 /nfs/dbraw/zinc/30/42/03/138304203.db2.gz OUSLQKOKVUFESK-IBGZPJMESA-N 2 2 348.535 1.705 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413492118 304062879 /nfs/dbraw/zinc/06/28/79/304062879.db2.gz CGMCCCGYSBHJND-CABCVRRESA-N 2 2 347.463 1.254 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413492118 304062881 /nfs/dbraw/zinc/06/28/81/304062881.db2.gz CGMCCCGYSBHJND-CABCVRRESA-N 2 2 347.463 1.254 20 0 EDADLP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000187742038 236289055 /nfs/dbraw/zinc/28/90/55/236289055.db2.gz YLXMWUHXRZDYFB-HNNXBMFYSA-N 2 2 326.448 1.783 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CC[N@H+]1CCCC[C@H]1C)C2 ZINC000563963961 306353615 /nfs/dbraw/zinc/35/36/15/306353615.db2.gz GCHQHQAQDKHAIU-GDBMZVCRSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CC[N@@H+]1CCCC[C@H]1C)C2 ZINC000563963961 306353616 /nfs/dbraw/zinc/35/36/16/306353616.db2.gz GCHQHQAQDKHAIU-GDBMZVCRSA-N 2 2 348.491 1.422 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000362283259 283339358 /nfs/dbraw/zinc/33/93/58/283339358.db2.gz WHVZDFZRFSIWMT-GJZGRUSLSA-N 2 2 346.479 1.478 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000362283259 283339359 /nfs/dbraw/zinc/33/93/59/283339359.db2.gz WHVZDFZRFSIWMT-GJZGRUSLSA-N 2 2 346.479 1.478 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000362283259 283339361 /nfs/dbraw/zinc/33/93/61/283339361.db2.gz WHVZDFZRFSIWMT-GJZGRUSLSA-N 2 2 346.479 1.478 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000362283259 283339362 /nfs/dbraw/zinc/33/93/62/283339362.db2.gz WHVZDFZRFSIWMT-GJZGRUSLSA-N 2 2 346.479 1.478 20 0 EDADLP CNC(=O)C[NH+]1CCC(Nc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000564044447 306354262 /nfs/dbraw/zinc/35/42/62/306354262.db2.gz GBIQZPBJDDDWTA-UHFFFAOYSA-N 2 2 338.415 1.733 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccccc2Cl)C[C@H](C)O1 ZINC000564848425 306367425 /nfs/dbraw/zinc/36/74/25/306367425.db2.gz XBPUQJGLEXWSCI-LZWOXQAQSA-N 2 2 326.868 1.942 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccccc2Cl)C[C@H](C)O1 ZINC000564848425 306367426 /nfs/dbraw/zinc/36/74/26/306367426.db2.gz XBPUQJGLEXWSCI-LZWOXQAQSA-N 2 2 326.868 1.942 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000190033141 238182343 /nfs/dbraw/zinc/18/23/43/238182343.db2.gz RZFGEILLCYJWHR-OAHLLOKOSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000565293425 306380735 /nfs/dbraw/zinc/38/07/35/306380735.db2.gz AHUINZBAKYNDCV-FMKPAKJESA-N 2 2 347.463 1.246 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130608100 223164670 /nfs/dbraw/zinc/16/46/70/223164670.db2.gz DMEVJDHLSNFJRS-QGZVFWFLSA-N 2 2 328.416 1.290 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130608100 223164672 /nfs/dbraw/zinc/16/46/72/223164672.db2.gz DMEVJDHLSNFJRS-QGZVFWFLSA-N 2 2 328.416 1.290 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000130852224 223181242 /nfs/dbraw/zinc/18/12/42/223181242.db2.gz SYVMABZPTDCBQZ-UHFFFAOYSA-N 2 2 325.416 1.961 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000130852224 223181244 /nfs/dbraw/zinc/18/12/44/223181244.db2.gz SYVMABZPTDCBQZ-UHFFFAOYSA-N 2 2 325.416 1.961 20 0 EDADLP Cc1cccc([C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C(F)(F)F)c1 ZINC000565586924 306387228 /nfs/dbraw/zinc/38/72/28/306387228.db2.gz OWTYEUIQJCFCIN-UONOGXRCSA-N 2 2 344.381 1.883 20 0 EDADLP Cc1cccc([C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C(F)(F)F)c1 ZINC000565586924 306387229 /nfs/dbraw/zinc/38/72/29/306387229.db2.gz OWTYEUIQJCFCIN-UONOGXRCSA-N 2 2 344.381 1.883 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000565635009 306387973 /nfs/dbraw/zinc/38/79/73/306387973.db2.gz XZRNMMQBGYKIGQ-MRXNPFEDSA-N 2 2 349.479 1.558 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000565635009 306387974 /nfs/dbraw/zinc/38/79/74/306387974.db2.gz XZRNMMQBGYKIGQ-MRXNPFEDSA-N 2 2 349.479 1.558 20 0 EDADLP CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1(CC)CC ZINC000565706157 306389054 /nfs/dbraw/zinc/38/90/54/306389054.db2.gz WWBSCWGVXMXBBE-RBSFLKMASA-N 2 2 326.485 1.255 20 0 EDADLP CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1(CC)CC ZINC000565706157 306389055 /nfs/dbraw/zinc/38/90/55/306389055.db2.gz WWBSCWGVXMXBBE-RBSFLKMASA-N 2 2 326.485 1.255 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000414356679 304111242 /nfs/dbraw/zinc/11/12/42/304111242.db2.gz GCGYLIUOSRLCAX-IBGZPJMESA-N 2 2 343.475 1.213 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000414356679 304111244 /nfs/dbraw/zinc/11/12/44/304111244.db2.gz GCGYLIUOSRLCAX-IBGZPJMESA-N 2 2 343.475 1.213 20 0 EDADLP CN(C)c1[nH+]cc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000414356679 304111246 /nfs/dbraw/zinc/11/12/46/304111246.db2.gz GCGYLIUOSRLCAX-IBGZPJMESA-N 2 2 343.475 1.213 20 0 EDADLP CN(C)c1[nH+]cc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000414356679 304111248 /nfs/dbraw/zinc/11/12/48/304111248.db2.gz GCGYLIUOSRLCAX-IBGZPJMESA-N 2 2 343.475 1.213 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414851143 304148049 /nfs/dbraw/zinc/14/80/49/304148049.db2.gz UATLZAXKKHFMFA-GDBMZVCRSA-N 2 2 349.475 1.782 20 0 EDADLP CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367621742 284128540 /nfs/dbraw/zinc/12/85/40/284128540.db2.gz CRGUQEYTZAKCBA-KRWDZBQOSA-N 2 2 334.512 1.456 20 0 EDADLP CCCn1c(C)nnc1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367621742 284128541 /nfs/dbraw/zinc/12/85/41/284128541.db2.gz CRGUQEYTZAKCBA-KRWDZBQOSA-N 2 2 334.512 1.456 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCN3CCCOCC3)c2cc1C ZINC000567105110 306437968 /nfs/dbraw/zinc/43/79/68/306437968.db2.gz RYHXQSIWJIVPMC-KRWDZBQOSA-N 2 2 346.475 1.326 20 0 EDADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415096188 304159766 /nfs/dbraw/zinc/15/97/66/304159766.db2.gz PGHMZJNXYMUYIW-AWEZNQCLSA-N 2 2 336.386 1.845 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000195155734 139008155 /nfs/dbraw/zinc/00/81/55/139008155.db2.gz JHIVGXNQUGJRMO-MSOLQXFVSA-N 2 2 331.460 1.484 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)C1CC[NH+](C2CC2)CC1 ZINC000195342274 139015082 /nfs/dbraw/zinc/01/50/82/139015082.db2.gz SARXKNDMDRJYGU-UHFFFAOYSA-N 2 2 344.459 1.409 20 0 EDADLP Cc1cc(N2CCN(C(=O)C3CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000236883761 139034023 /nfs/dbraw/zinc/03/40/23/139034023.db2.gz VKBYRRZKBRMMML-UHFFFAOYSA-N 2 2 331.464 1.557 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000237379746 139049671 /nfs/dbraw/zinc/04/96/71/139049671.db2.gz PLZBWIWUVMKDMO-QGZVFWFLSA-N 2 2 347.459 1.490 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237435689 139051155 /nfs/dbraw/zinc/05/11/55/139051155.db2.gz SLZGKBUYHGEVMH-MAUKXSAKSA-N 3 2 332.492 1.465 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000237474748 139052153 /nfs/dbraw/zinc/05/21/53/139052153.db2.gz HDFAJSOFUSMKCY-ZDUSSCGKSA-N 2 2 329.404 1.331 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000111512191 220162347 /nfs/dbraw/zinc/16/23/47/220162347.db2.gz OVQGCSMSNMPGPY-MRXNPFEDSA-N 2 2 331.464 1.788 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000111512191 220162350 /nfs/dbraw/zinc/16/23/50/220162350.db2.gz OVQGCSMSNMPGPY-MRXNPFEDSA-N 2 2 331.464 1.788 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC3CC[NH2+]CC3)c[nH+]2)C[C@H](C)O1 ZINC000237660399 139057313 /nfs/dbraw/zinc/05/73/13/139057313.db2.gz XAJKFFVDLKLLME-GASCZTMLSA-N 2 2 346.475 1.701 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000081097025 217360439 /nfs/dbraw/zinc/36/04/39/217360439.db2.gz SDPMXZVCRBWCKC-WBVHZDCISA-N 2 2 339.505 1.627 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000081097025 217360444 /nfs/dbraw/zinc/36/04/44/217360444.db2.gz SDPMXZVCRBWCKC-WBVHZDCISA-N 2 2 339.505 1.627 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000081097025 217360446 /nfs/dbraw/zinc/36/04/46/217360446.db2.gz SDPMXZVCRBWCKC-WBVHZDCISA-N 2 2 339.505 1.627 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2)[C@H](C)C1 ZINC000081097025 217360450 /nfs/dbraw/zinc/36/04/50/217360450.db2.gz SDPMXZVCRBWCKC-WBVHZDCISA-N 2 2 339.505 1.627 20 0 EDADLP O=C([C@@H]1CCCC[NH2+]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000237938841 139064516 /nfs/dbraw/zinc/06/45/16/139064516.db2.gz ZKIAJMPMVBDHLX-INIZCTEOSA-N 2 2 327.432 1.121 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081300899 217380800 /nfs/dbraw/zinc/38/08/00/217380800.db2.gz ZCKHFEKSKXKTEH-MRXNPFEDSA-N 2 2 341.402 1.186 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081300899 217380802 /nfs/dbraw/zinc/38/08/02/217380802.db2.gz ZCKHFEKSKXKTEH-MRXNPFEDSA-N 2 2 341.402 1.186 20 0 EDADLP c1ccc(N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)[nH+]c1 ZINC000244495932 139070858 /nfs/dbraw/zinc/07/08/58/139070858.db2.gz ZKJFUZFHBNHBEB-UHFFFAOYSA-N 2 2 326.404 1.035 20 0 EDADLP CCCCOC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245442995 139075267 /nfs/dbraw/zinc/07/52/67/139075267.db2.gz WTIBQHZVPQJAQM-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP CCCCOC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245442995 139075268 /nfs/dbraw/zinc/07/52/68/139075268.db2.gz WTIBQHZVPQJAQM-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000245700519 139083515 /nfs/dbraw/zinc/08/35/15/139083515.db2.gz XPJJDRLQYMXBKF-BPUTZDHNSA-N 2 2 342.447 1.613 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000245700519 139083516 /nfs/dbraw/zinc/08/35/16/139083516.db2.gz XPJJDRLQYMXBKF-BPUTZDHNSA-N 2 2 342.447 1.613 20 0 EDADLP C[C@H]1CC(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[C@H](C)O1 ZINC000245706425 139083796 /nfs/dbraw/zinc/08/37/96/139083796.db2.gz BYFGVRBGJSDVLT-LQJGXABVSA-N 2 2 349.519 1.959 20 0 EDADLP C[C@H]1CC(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000245706425 139083797 /nfs/dbraw/zinc/08/37/97/139083797.db2.gz BYFGVRBGJSDVLT-LQJGXABVSA-N 2 2 349.519 1.959 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000415263403 304181233 /nfs/dbraw/zinc/18/12/33/304181233.db2.gz AUPYWJYFLSQFGP-CYBMUJFWSA-N 2 2 340.383 1.762 20 0 EDADLP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CC2 ZINC000246972695 139129210 /nfs/dbraw/zinc/12/92/10/139129210.db2.gz JPSPPRJKHUCEGQ-ZTFGCOKTSA-N 2 2 340.475 1.797 20 0 EDADLP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CC2 ZINC000246972695 139129211 /nfs/dbraw/zinc/12/92/11/139129211.db2.gz JPSPPRJKHUCEGQ-ZTFGCOKTSA-N 2 2 340.475 1.797 20 0 EDADLP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000415355937 304202531 /nfs/dbraw/zinc/20/25/31/304202531.db2.gz PSDSLPBLHKAUFO-GFCCVEGCSA-N 2 2 341.415 1.261 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568487748 306482567 /nfs/dbraw/zinc/48/25/67/306482567.db2.gz AISMPNSISXLHJS-KBPBESRZSA-N 2 2 341.415 1.121 20 0 EDADLP CC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000247731925 139154529 /nfs/dbraw/zinc/15/45/29/139154529.db2.gz UUMZWZIJDSPCPS-IAGOWNOFSA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000247731925 139154530 /nfs/dbraw/zinc/15/45/30/139154530.db2.gz UUMZWZIJDSPCPS-IAGOWNOFSA-N 2 2 346.475 1.620 20 0 EDADLP CC[N@H+](C)CC[NH2+][C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000248638485 139169480 /nfs/dbraw/zinc/16/94/80/139169480.db2.gz WDCGHAOYUUIRHF-GJZGRUSLSA-N 2 2 329.485 1.942 20 0 EDADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000248638485 139169481 /nfs/dbraw/zinc/16/94/81/139169481.db2.gz WDCGHAOYUUIRHF-GJZGRUSLSA-N 2 2 329.485 1.942 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc[nH+]1 ZINC000249042508 139183887 /nfs/dbraw/zinc/18/38/87/139183887.db2.gz VFZHWTJJBKZBCN-WTXIUTQJSA-N 3 2 330.480 1.702 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc[nH+]1 ZINC000249042508 139183888 /nfs/dbraw/zinc/18/38/88/139183888.db2.gz VFZHWTJJBKZBCN-WTXIUTQJSA-N 3 2 330.480 1.702 20 0 EDADLP CO[C@@H]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000249049307 139184069 /nfs/dbraw/zinc/18/40/69/139184069.db2.gz OATOPFAICKZZAA-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP CO[C@@H]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000249049307 139184070 /nfs/dbraw/zinc/18/40/70/139184070.db2.gz OATOPFAICKZZAA-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1ccoc1C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000093562104 218232632 /nfs/dbraw/zinc/23/26/32/218232632.db2.gz KSRBOXMHXAGTCG-UHFFFAOYSA-N 2 2 343.431 1.537 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCOC[C@]34CCOC4)c2cc1C ZINC000249602259 139196440 /nfs/dbraw/zinc/19/64/40/139196440.db2.gz QRWBMPXMFFQZES-VQIMIIECSA-N 2 2 345.443 1.505 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCOC[C@]34CCOC4)c2cc1C ZINC000249602259 139196441 /nfs/dbraw/zinc/19/64/41/139196441.db2.gz QRWBMPXMFFQZES-VQIMIIECSA-N 2 2 345.443 1.505 20 0 EDADLP COC1CC[NH+](C2(C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000422883122 284773574 /nfs/dbraw/zinc/77/35/74/284773574.db2.gz BPOBZPREASDCPP-IRXDYDNUSA-N 3 2 339.524 1.767 20 0 EDADLP C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000249757807 139198252 /nfs/dbraw/zinc/19/82/52/139198252.db2.gz VUPPPFADOAZQKA-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000249757807 139198253 /nfs/dbraw/zinc/19/82/53/139198253.db2.gz VUPPPFADOAZQKA-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249857796 139199487 /nfs/dbraw/zinc/19/94/87/139199487.db2.gz DUCMESCGBLNTOT-KBPBESRZSA-N 2 2 347.463 1.828 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249857796 139199488 /nfs/dbraw/zinc/19/94/88/139199488.db2.gz DUCMESCGBLNTOT-KBPBESRZSA-N 2 2 347.463 1.828 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccn1 ZINC000261589111 139209325 /nfs/dbraw/zinc/20/93/25/139209325.db2.gz KLFIMDDJOKGGFC-GOSISDBHSA-N 2 2 340.427 1.171 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccn1 ZINC000261589111 139209326 /nfs/dbraw/zinc/20/93/26/139209326.db2.gz KLFIMDDJOKGGFC-GOSISDBHSA-N 2 2 340.427 1.171 20 0 EDADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261594401 139209417 /nfs/dbraw/zinc/20/94/17/139209417.db2.gz NOPDGECSBMQURU-SJLPKXTDSA-N 2 2 331.460 1.393 20 0 EDADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261594401 139209418 /nfs/dbraw/zinc/20/94/18/139209418.db2.gz NOPDGECSBMQURU-SJLPKXTDSA-N 2 2 331.460 1.393 20 0 EDADLP C[C@]1(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261734646 139221789 /nfs/dbraw/zinc/22/17/89/139221789.db2.gz HOOWUFBKYHZYEH-SFHVURJKSA-N 2 2 334.439 1.381 20 0 EDADLP Cc1cc(C)c(NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000261718440 139220154 /nfs/dbraw/zinc/22/01/54/139220154.db2.gz QHPZGLWEIKIHNA-KRWDZBQOSA-N 2 2 330.476 1.530 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(Cl)c1OCC(N)=O ZINC000261720520 139220352 /nfs/dbraw/zinc/22/03/52/139220352.db2.gz LVDWBVPTZFHJAA-GXFFZTMASA-N 2 2 341.839 1.382 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(Cl)c1OCC(N)=O ZINC000261720520 139220353 /nfs/dbraw/zinc/22/03/53/139220353.db2.gz LVDWBVPTZFHJAA-GXFFZTMASA-N 2 2 341.839 1.382 20 0 EDADLP C[NH+]1CCN(Cc2cccc(-c3nc(C4([NH3+])CCC4)no3)c2)CC1 ZINC000261822440 139229180 /nfs/dbraw/zinc/22/91/80/139229180.db2.gz QOVMCWFCONZVBI-UHFFFAOYSA-N 2 2 327.432 1.822 20 0 EDADLP CN1CC[NH+](Cc2cccc(-c3nc(C4([NH3+])CCC4)no3)c2)CC1 ZINC000261822440 139229181 /nfs/dbraw/zinc/22/91/81/139229181.db2.gz QOVMCWFCONZVBI-UHFFFAOYSA-N 2 2 327.432 1.822 20 0 EDADLP C[C@@]([NH3+])(C(=O)NCCc1[nH]cc[nH+]1)c1ccc(Br)cc1 ZINC000261815068 139228357 /nfs/dbraw/zinc/22/83/57/139228357.db2.gz SCULAGGKLVZZFP-AWEZNQCLSA-N 2 2 337.221 1.705 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261878643 139233481 /nfs/dbraw/zinc/23/34/81/139233481.db2.gz UJKYYKPWKNERLB-AUUYWEPGSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261878643 139233482 /nfs/dbraw/zinc/23/34/82/139233482.db2.gz UJKYYKPWKNERLB-AUUYWEPGSA-N 2 2 344.459 1.811 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261885032 139233909 /nfs/dbraw/zinc/23/39/09/139233909.db2.gz SGQLSJQEQLSDNW-MRXNPFEDSA-N 2 2 333.480 1.071 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261937891 139238565 /nfs/dbraw/zinc/23/85/65/139238565.db2.gz MNIXAAXTNHFFTD-MRXNPFEDSA-N 2 2 329.444 1.847 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000262094018 139250493 /nfs/dbraw/zinc/25/04/93/139250493.db2.gz BADPXVZIRZYFFR-LBTNJELSSA-N 2 2 334.464 1.829 20 0 EDADLP COc1cc(Br)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000262098206 139250692 /nfs/dbraw/zinc/25/06/92/139250692.db2.gz IDOMRIARWAYMKB-CMPLNLGQSA-N 2 2 345.237 1.136 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416987303 251119169 /nfs/dbraw/zinc/11/91/69/251119169.db2.gz MSOBKDVWLBOHTK-BFHYXJOUSA-N 2 2 335.452 1.184 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416996512 251123120 /nfs/dbraw/zinc/12/31/20/251123120.db2.gz WVCKKXLPRCUXCF-KKUMJFAQSA-N 2 2 349.479 1.350 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000417003040 251126260 /nfs/dbraw/zinc/12/62/60/251126260.db2.gz XPSGVDVPRKATHA-HNNXBMFYSA-N 2 2 327.432 1.730 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000417005335 251126606 /nfs/dbraw/zinc/12/66/06/251126606.db2.gz YBAJBZJAEAFYAU-AEFFLSMTSA-N 2 2 348.491 1.666 20 0 EDADLP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000262360437 139273007 /nfs/dbraw/zinc/27/30/07/139273007.db2.gz VCLMJFTVXKARTH-SJORKVTESA-N 2 2 336.399 1.548 20 0 EDADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000417596956 251201437 /nfs/dbraw/zinc/20/14/37/251201437.db2.gz RMIVUBMNMONFMJ-ZWKOTPCHSA-N 2 2 347.507 1.355 20 0 EDADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000417596956 251201440 /nfs/dbraw/zinc/20/14/40/251201440.db2.gz RMIVUBMNMONFMJ-ZWKOTPCHSA-N 2 2 347.507 1.355 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC[NH2+]1 ZINC000417662522 251216918 /nfs/dbraw/zinc/21/69/18/251216918.db2.gz SDZBEALARHEGPC-FZMZJTMJSA-N 2 2 326.391 1.571 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417709910 251237388 /nfs/dbraw/zinc/23/73/88/251237388.db2.gz WWERYFYIZFJRJG-UONOGXRCSA-N 2 2 332.439 1.795 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417709910 251237393 /nfs/dbraw/zinc/23/73/93/251237393.db2.gz WWERYFYIZFJRJG-UONOGXRCSA-N 2 2 332.439 1.795 20 0 EDADLP CN(C)C(=O)c1ccccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000417678382 251225304 /nfs/dbraw/zinc/22/53/04/251225304.db2.gz BUFNVQHBYVPXAI-UHFFFAOYSA-N 2 2 344.503 1.602 20 0 EDADLP C[NH2+][C@@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)c1cnn(C)c1 ZINC000262457197 139280346 /nfs/dbraw/zinc/28/03/46/139280346.db2.gz WPQRHESGSUQVOL-DOTOQJQBSA-N 2 2 345.447 1.108 20 0 EDADLP C[NH2+]CCCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000417845289 251296203 /nfs/dbraw/zinc/29/62/03/251296203.db2.gz OOLSKSZPRLDCSH-UHFFFAOYSA-N 2 2 329.448 1.925 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000418434001 251370635 /nfs/dbraw/zinc/37/06/35/251370635.db2.gz DXCHINMIDQRHOQ-UHFFFAOYSA-N 3 2 327.517 1.171 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418434001 251370639 /nfs/dbraw/zinc/37/06/39/251370639.db2.gz DXCHINMIDQRHOQ-UHFFFAOYSA-N 3 2 327.517 1.171 20 0 EDADLP O=C(N[C@H]1CCC[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418384237 251364150 /nfs/dbraw/zinc/36/41/50/251364150.db2.gz ONIXQVXTXQALKC-MOTZXUDYSA-N 2 2 328.460 1.779 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418711652 251391303 /nfs/dbraw/zinc/39/13/03/251391303.db2.gz USXRBLXKKSVLHK-MRXNPFEDSA-N 2 2 334.464 1.520 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[N@@H+](C2CCC2)C1 ZINC000418716090 251395154 /nfs/dbraw/zinc/39/51/54/251395154.db2.gz BXKIZAUYJPRJNB-KBPBESRZSA-N 2 2 344.450 1.747 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[N@H+](C2CCC2)C1 ZINC000418716090 251395158 /nfs/dbraw/zinc/39/51/58/251395158.db2.gz BXKIZAUYJPRJNB-KBPBESRZSA-N 2 2 344.450 1.747 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000418726055 251398625 /nfs/dbraw/zinc/39/86/25/251398625.db2.gz LKBGFIWWDLEQKZ-HOCLYGCPSA-N 2 2 334.464 1.821 20 0 EDADLP [NH3+]C[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CC1 ZINC000262579668 139288003 /nfs/dbraw/zinc/28/80/03/139288003.db2.gz IGWIUFSOCZJYKN-MRXNPFEDSA-N 2 2 341.415 1.379 20 0 EDADLP COC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000262607839 139289789 /nfs/dbraw/zinc/28/97/89/139289789.db2.gz YKCCOGMNBYOWNE-HNNXBMFYSA-N 2 2 325.840 1.348 20 0 EDADLP COC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000262607839 139289790 /nfs/dbraw/zinc/28/97/90/139289790.db2.gz YKCCOGMNBYOWNE-HNNXBMFYSA-N 2 2 325.840 1.348 20 0 EDADLP Cc1cc(N2CC[NH+](CC[C@H]3CCNC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000569550163 306509855 /nfs/dbraw/zinc/50/98/55/306509855.db2.gz VVAYQYPBJMBPEF-OAHLLOKOSA-N 2 2 331.464 1.557 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000262798034 139304467 /nfs/dbraw/zinc/30/44/67/139304467.db2.gz DUPBHWSVSZDBLE-BBRMVZONSA-N 2 2 339.867 1.909 20 0 EDADLP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422714772 251960164 /nfs/dbraw/zinc/96/01/64/251960164.db2.gz LLENYQXEUATVBK-UXHICEINSA-N 3 2 347.503 1.874 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000422881012 252009414 /nfs/dbraw/zinc/00/94/14/252009414.db2.gz MZVBYTRGVYWARV-MSOLQXFVSA-N 3 2 330.476 1.291 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1C ZINC000153204993 224073338 /nfs/dbraw/zinc/07/33/38/224073338.db2.gz DMESSSYRCJBGFB-ARFHVFGLSA-N 2 2 331.464 1.784 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1C ZINC000153204993 224073341 /nfs/dbraw/zinc/07/33/41/224073341.db2.gz DMESSSYRCJBGFB-ARFHVFGLSA-N 2 2 331.464 1.784 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCC[NH2+]1 ZINC000422897978 252015000 /nfs/dbraw/zinc/01/50/00/252015000.db2.gz DDQHOPLTPBELRR-LXZKKBNFSA-N 2 2 347.459 1.431 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000422868546 252005471 /nfs/dbraw/zinc/00/54/71/252005471.db2.gz VLSLIOSSXHFAJY-GUDVDZBRSA-N 2 2 346.519 1.554 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423784119 252071619 /nfs/dbraw/zinc/07/16/19/252071619.db2.gz PJVSHMSHTGDWMC-KRWDZBQOSA-N 2 2 325.416 1.442 20 0 EDADLP [NH3+]CC1(CC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000423345673 252047373 /nfs/dbraw/zinc/04/73/73/252047373.db2.gz GASKVJOYIGKKPZ-UHFFFAOYSA-N 2 2 337.221 1.842 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC000423510791 252056302 /nfs/dbraw/zinc/05/63/02/252056302.db2.gz OAZUEAVTHVEEBI-QGZVFWFLSA-N 2 2 333.432 1.464 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC000423510791 252056305 /nfs/dbraw/zinc/05/63/05/252056305.db2.gz OAZUEAVTHVEEBI-QGZVFWFLSA-N 2 2 333.432 1.464 20 0 EDADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)cc2C1 ZINC000423510026 252056361 /nfs/dbraw/zinc/05/63/61/252056361.db2.gz PFARZXMEWUNXFC-QAPCUYQASA-N 2 2 344.459 1.337 20 0 EDADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3COCC[N@H+]3CC3CCC3)cc2C1 ZINC000423510026 252056366 /nfs/dbraw/zinc/05/63/66/252056366.db2.gz PFARZXMEWUNXFC-QAPCUYQASA-N 2 2 344.459 1.337 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423515391 252058371 /nfs/dbraw/zinc/05/83/71/252058371.db2.gz NDFHCNZSAHWGHC-XRXFAXGQSA-N 3 2 342.531 1.923 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423515391 252058374 /nfs/dbraw/zinc/05/83/74/252058374.db2.gz NDFHCNZSAHWGHC-XRXFAXGQSA-N 3 2 342.531 1.923 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422905755 252018850 /nfs/dbraw/zinc/01/88/50/252018850.db2.gz SQQSZQXIAXPJSS-YOEHRIQHSA-N 2 2 339.505 1.602 20 0 EDADLP CC(C)(CC[NH3+])NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000424047219 252124686 /nfs/dbraw/zinc/12/46/86/252124686.db2.gz NAVWFAJDTCRLOZ-UHFFFAOYSA-N 2 2 343.431 1.769 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000423789135 252074281 /nfs/dbraw/zinc/07/42/81/252074281.db2.gz SQWSMIWYZVNIDK-WMLDXEAASA-N 2 2 333.432 1.091 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000424248515 252178799 /nfs/dbraw/zinc/17/87/99/252178799.db2.gz VBICLFKSPIZXKX-UHFFFAOYSA-N 2 2 339.443 1.609 20 0 EDADLP C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424301144 252191556 /nfs/dbraw/zinc/19/15/56/252191556.db2.gz XEZZQDPRBKKEHS-NSHDSACASA-N 2 2 346.460 1.607 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCCS(C)(=O)=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000424369578 252201470 /nfs/dbraw/zinc/20/14/70/252201470.db2.gz CQWVRWGDWLZDIJ-IRXDYDNUSA-N 2 2 340.489 1.903 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)[NH+](C)C)c1 ZINC000262977113 139316357 /nfs/dbraw/zinc/31/63/57/139316357.db2.gz MKHLOSOLDPPEFM-KGLIPLIRSA-N 2 2 327.375 1.411 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000424428385 252226775 /nfs/dbraw/zinc/22/67/75/252226775.db2.gz SOWNPUUDXHDJLV-UHFFFAOYSA-N 2 2 340.431 1.906 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCc4n[nH]cc4C3)c2cc1C ZINC000569715375 306517513 /nfs/dbraw/zinc/51/75/13/306517513.db2.gz IBWFXUOJNRFBBZ-JKSUJKDBSA-N 2 2 339.443 1.884 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263117982 139323305 /nfs/dbraw/zinc/32/33/05/139323305.db2.gz ASAPAOUXCAWAOA-IUODEOHRSA-N 2 2 338.402 1.720 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000492011634 255159114 /nfs/dbraw/zinc/15/91/14/255159114.db2.gz YUEWDYQDSYBLTI-PLNGDYQASA-N 2 2 341.415 1.669 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000492366027 255173259 /nfs/dbraw/zinc/17/32/59/255173259.db2.gz HRXNGOMTCAFUNH-SNAWJCMRSA-N 2 2 344.459 1.407 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000493116343 255192215 /nfs/dbraw/zinc/19/22/15/255192215.db2.gz BDKFFEMTGYUVCH-OGZRUICASA-N 2 2 332.448 1.487 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000493304884 255202695 /nfs/dbraw/zinc/20/26/95/255202695.db2.gz OXPXUGLYHQCKOO-VOTSOKGWSA-N 2 2 339.443 1.357 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CC(C)C)CC2)CCO1 ZINC000494245871 255243124 /nfs/dbraw/zinc/24/31/24/255243124.db2.gz WAYXSNXUMLPFQF-QGZVFWFLSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CC(C)C)CC2)CCO1 ZINC000494245871 255243125 /nfs/dbraw/zinc/24/31/25/255243125.db2.gz WAYXSNXUMLPFQF-QGZVFWFLSA-N 2 2 340.512 1.517 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)C1 ZINC000494495715 255252691 /nfs/dbraw/zinc/25/26/91/255252691.db2.gz ODLBNXWJOCPZGX-DPHWQOANSA-N 2 2 333.480 1.178 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)C1 ZINC000494495715 255252692 /nfs/dbraw/zinc/25/26/92/255252692.db2.gz ODLBNXWJOCPZGX-DPHWQOANSA-N 2 2 333.480 1.178 20 0 EDADLP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C)NC(=O)OC(C)(C)C ZINC000494660334 255256647 /nfs/dbraw/zinc/25/66/47/255256647.db2.gz VUHHOAPAGPWMOI-RBSFLKMASA-N 2 2 328.501 1.514 20 0 EDADLP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)NC(=O)OC(C)(C)C ZINC000494660334 255256648 /nfs/dbraw/zinc/25/66/48/255256648.db2.gz VUHHOAPAGPWMOI-RBSFLKMASA-N 2 2 328.501 1.514 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496093427 255351752 /nfs/dbraw/zinc/35/17/52/255351752.db2.gz UNICFETZGKOAOX-LSDHHAIUSA-N 2 2 329.485 1.726 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496093427 255351753 /nfs/dbraw/zinc/35/17/53/255351753.db2.gz UNICFETZGKOAOX-LSDHHAIUSA-N 2 2 329.485 1.726 20 0 EDADLP O=C(OCc1ccccc1)N1CCC(C[NH2+]C[C@@H]2C[NH2+]CCO2)CC1 ZINC000495988926 255338010 /nfs/dbraw/zinc/33/80/10/255338010.db2.gz JFBQZFODPGBYDV-SFHVURJKSA-N 2 2 347.459 1.613 20 0 EDADLP C[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCN(C)CC1 ZINC000117803227 221091254 /nfs/dbraw/zinc/09/12/54/221091254.db2.gz GHGHKCMGLHSWQH-MRXNPFEDSA-N 2 2 341.459 1.486 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(OC)cc3)C2)CC1 ZINC000118834787 221191726 /nfs/dbraw/zinc/19/17/26/221191726.db2.gz DVHWWWRBBFXDMJ-KRWDZBQOSA-N 2 2 346.475 1.346 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(OC)cc3)C2)CC1 ZINC000118834787 221191729 /nfs/dbraw/zinc/19/17/29/221191729.db2.gz DVHWWWRBBFXDMJ-KRWDZBQOSA-N 2 2 346.475 1.346 20 0 EDADLP CC(C)N1CC[NH+](CC2(CN3CC[NH+](C(C)C)CC3)COC2)CC1 ZINC000119317760 221293296 /nfs/dbraw/zinc/29/32/96/221293296.db2.gz NTRMYWALLHWHTB-UHFFFAOYSA-N 2 2 338.540 1.055 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000119352132 221301472 /nfs/dbraw/zinc/30/14/72/221301472.db2.gz CDNDMKUMLQUBJU-DZGCQCFKSA-N 2 2 331.464 1.686 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000119352132 221301476 /nfs/dbraw/zinc/30/14/76/221301476.db2.gz CDNDMKUMLQUBJU-DZGCQCFKSA-N 2 2 331.464 1.686 20 0 EDADLP Cc1c([C@H]2[C@H]([NH2+]Cc3cccc4[nH+]ccn43)CC(=O)N2C)cnn1C ZINC000328628903 258031058 /nfs/dbraw/zinc/03/10/58/258031058.db2.gz ODVLUNWFHDZCFA-QAPCUYQASA-N 2 2 338.415 1.438 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)ccc2[nH+]1 ZINC000415844469 304280655 /nfs/dbraw/zinc/28/06/55/304280655.db2.gz JBCWENXYLIMICW-AAEUAGOBSA-N 2 2 329.404 1.025 20 0 EDADLP Cc1ncc(C[NH+]2CCN(c3ncnc4c3C[N@H+](C)CC4)CC2)s1 ZINC000264323674 139397185 /nfs/dbraw/zinc/39/71/85/139397185.db2.gz KZNVYIYSDRCOIQ-UHFFFAOYSA-N 2 2 344.488 1.552 20 0 EDADLP Cc1ncc(C[NH+]2CCN(c3ncnc4c3C[N@@H+](C)CC4)CC2)s1 ZINC000264323674 139397186 /nfs/dbraw/zinc/39/71/86/139397186.db2.gz KZNVYIYSDRCOIQ-UHFFFAOYSA-N 2 2 344.488 1.552 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C[NH3+] ZINC000415850564 304281669 /nfs/dbraw/zinc/28/16/69/304281669.db2.gz OBQYFNOKVPUVIB-KGLIPLIRSA-N 2 2 341.415 1.254 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000361746976 285388176 /nfs/dbraw/zinc/38/81/76/285388176.db2.gz LPRYLSQOUFEEHS-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000361746976 285388177 /nfs/dbraw/zinc/38/81/77/285388177.db2.gz LPRYLSQOUFEEHS-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)[C@@H](C)C1 ZINC000245763988 285397228 /nfs/dbraw/zinc/39/72/28/285397228.db2.gz QGOTYCLUKNWGMO-YJBOKZPZSA-N 2 2 349.523 1.727 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)[C@@H](C)C1 ZINC000245763988 285397230 /nfs/dbraw/zinc/39/72/30/285397230.db2.gz QGOTYCLUKNWGMO-YJBOKZPZSA-N 2 2 349.523 1.727 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)[C@@H](C)C1 ZINC000245763988 285397231 /nfs/dbraw/zinc/39/72/31/285397231.db2.gz QGOTYCLUKNWGMO-YJBOKZPZSA-N 2 2 349.523 1.727 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)[C@@H](C)C1 ZINC000245763988 285397233 /nfs/dbraw/zinc/39/72/33/285397233.db2.gz QGOTYCLUKNWGMO-YJBOKZPZSA-N 2 2 349.523 1.727 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000159335850 533647265 /nfs/dbraw/zinc/64/72/65/533647265.db2.gz CGRJTXUHQXRYOV-QUCCMNQESA-N 3 2 330.520 1.877 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159335850 533647274 /nfs/dbraw/zinc/64/72/74/533647274.db2.gz CGRJTXUHQXRYOV-QUCCMNQESA-N 3 2 330.520 1.877 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000270983032 140213469 /nfs/dbraw/zinc/21/34/69/140213469.db2.gz VQFOILSTSGQBKL-INIZCTEOSA-N 2 2 347.459 1.005 20 0 EDADLP Cn1ccnc1[C@](O)(C[NH2+]Cc1cccc2[nH+]ccn21)C(F)(F)F ZINC000271229452 140260130 /nfs/dbraw/zinc/26/01/30/140260130.db2.gz IEXZFCOSCUHAHE-CQSZACIVSA-N 2 2 339.321 1.608 20 0 EDADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(F)c(F)c1 ZINC000271693493 140334914 /nfs/dbraw/zinc/33/49/14/140334914.db2.gz KXCUHKJORPZEJT-HOTGVXAUSA-N 2 2 341.402 1.582 20 0 EDADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(F)c(F)c1 ZINC000271693493 140334916 /nfs/dbraw/zinc/33/49/16/140334916.db2.gz KXCUHKJORPZEJT-HOTGVXAUSA-N 2 2 341.402 1.582 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000271709930 140337592 /nfs/dbraw/zinc/33/75/92/140337592.db2.gz XMTQJCZSHKVESM-AWEZNQCLSA-N 2 2 343.431 1.381 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000271709930 140337594 /nfs/dbraw/zinc/33/75/94/140337594.db2.gz XMTQJCZSHKVESM-AWEZNQCLSA-N 2 2 343.431 1.381 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000331754487 141077164 /nfs/dbraw/zinc/07/71/64/141077164.db2.gz BKIBYGUSUVKFLL-OWCLPIDISA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1=O ZINC000331754487 141077166 /nfs/dbraw/zinc/07/71/66/141077166.db2.gz BKIBYGUSUVKFLL-OWCLPIDISA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1=O ZINC000331754487 141077167 /nfs/dbraw/zinc/07/71/67/141077167.db2.gz BKIBYGUSUVKFLL-OWCLPIDISA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1=O ZINC000331754487 141077168 /nfs/dbraw/zinc/07/71/68/141077168.db2.gz BKIBYGUSUVKFLL-OWCLPIDISA-N 2 2 336.480 1.513 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000332026472 141112641 /nfs/dbraw/zinc/11/26/41/141112641.db2.gz GXHYEVUVWAGXLS-TZMCWYRMSA-N 2 2 333.436 1.489 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@@H]1C ZINC000332354614 141167623 /nfs/dbraw/zinc/16/76/23/141167623.db2.gz ZGMPLWVTEDHMCN-KBPBESRZSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@@H]1C ZINC000332354614 141167624 /nfs/dbraw/zinc/16/76/24/141167624.db2.gz ZGMPLWVTEDHMCN-KBPBESRZSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@@H]1C ZINC000332354614 141167625 /nfs/dbraw/zinc/16/76/25/141167625.db2.gz ZGMPLWVTEDHMCN-KBPBESRZSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@@H]1C ZINC000332354614 141167626 /nfs/dbraw/zinc/16/76/26/141167626.db2.gz ZGMPLWVTEDHMCN-KBPBESRZSA-N 2 2 347.463 1.057 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3cc(O)cc(F)c3)CC2)cc[nH+]1 ZINC000332395309 141174689 /nfs/dbraw/zinc/17/46/89/141174689.db2.gz OMYWQHHVRVIMMV-UHFFFAOYSA-N 2 2 331.395 1.710 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)NC3CCC([NH3+])CC3)CC2)s1 ZINC000332497028 141191238 /nfs/dbraw/zinc/19/12/38/141191238.db2.gz XHHPHSJTCGTOKC-UHFFFAOYSA-N 2 2 337.493 1.549 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000332563702 141203996 /nfs/dbraw/zinc/20/39/96/141203996.db2.gz WLHAMISTOCEJEE-DZGCQCFKSA-N 2 2 347.463 1.675 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C[C@H]21 ZINC000333127115 141268401 /nfs/dbraw/zinc/26/84/01/141268401.db2.gz BEOLVRJAVDFTLN-QKPAOTATSA-N 2 2 329.448 1.429 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C1)CCCC2 ZINC000333129483 141268542 /nfs/dbraw/zinc/26/85/42/141268542.db2.gz IINIYMWIFCIXGH-HUUCEWRRSA-N 2 2 337.489 1.752 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C1)CCCC2 ZINC000333129483 141268544 /nfs/dbraw/zinc/26/85/44/141268544.db2.gz IINIYMWIFCIXGH-HUUCEWRRSA-N 2 2 337.489 1.752 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)C[C@@H]21 ZINC000333846341 141393188 /nfs/dbraw/zinc/39/31/88/141393188.db2.gz OJBHIMQJOCMUGI-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)C[C@@H]21 ZINC000333846341 141393191 /nfs/dbraw/zinc/39/31/91/141393191.db2.gz OJBHIMQJOCMUGI-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333923240 141410885 /nfs/dbraw/zinc/41/08/85/141410885.db2.gz SASCZLPTXRBSAS-GVDBMIGSSA-N 2 2 343.475 1.869 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338154655 141745097 /nfs/dbraw/zinc/74/50/97/141745097.db2.gz LGIWMILOCQQKOX-IAGOWNOFSA-N 2 2 339.524 1.972 20 0 EDADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340258359 142322626 /nfs/dbraw/zinc/32/26/26/142322626.db2.gz XAJPOQSYJGFOPG-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP C[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]cn3Cc3ccccc3)[C@@H]2C1 ZINC000345025401 143040824 /nfs/dbraw/zinc/04/08/24/143040824.db2.gz ZMBJCAMTVONRBP-RTBURBONSA-N 2 2 326.444 1.836 20 0 EDADLP C[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]cn3Cc3ccccc3)[C@@H]2C1 ZINC000345025401 143040825 /nfs/dbraw/zinc/04/08/25/143040825.db2.gz ZMBJCAMTVONRBP-RTBURBONSA-N 2 2 326.444 1.836 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345408778 143087746 /nfs/dbraw/zinc/08/77/46/143087746.db2.gz GDKNRWFLVATABU-OAHLLOKOSA-N 2 2 340.427 1.698 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345408778 143087747 /nfs/dbraw/zinc/08/77/47/143087747.db2.gz GDKNRWFLVATABU-OAHLLOKOSA-N 2 2 340.427 1.698 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000345546771 143104284 /nfs/dbraw/zinc/10/42/84/143104284.db2.gz NMJCKLIFIKKJIQ-UHFFFAOYSA-N 2 2 339.443 1.681 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000345788086 143133663 /nfs/dbraw/zinc/13/36/63/143133663.db2.gz QVVBHIXIXMOCMJ-RDJZCZTQSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000345788086 143133664 /nfs/dbraw/zinc/13/36/64/143133664.db2.gz QVVBHIXIXMOCMJ-RDJZCZTQSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC[NH+]1C ZINC000345788086 143133665 /nfs/dbraw/zinc/13/36/65/143133665.db2.gz QVVBHIXIXMOCMJ-RDJZCZTQSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC[NH+]1C ZINC000345788086 143133666 /nfs/dbraw/zinc/13/36/66/143133666.db2.gz QVVBHIXIXMOCMJ-RDJZCZTQSA-N 3 2 339.528 1.137 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000346050724 143161825 /nfs/dbraw/zinc/16/18/25/143161825.db2.gz DGIUGPOGSNEXBP-CVEARBPZSA-N 2 2 338.427 1.243 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](F)C[C@H]1C(=O)N1CCOCC1 ZINC000346050724 143161826 /nfs/dbraw/zinc/16/18/26/143161826.db2.gz DGIUGPOGSNEXBP-CVEARBPZSA-N 2 2 338.427 1.243 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC000346360243 143196467 /nfs/dbraw/zinc/19/64/67/143196467.db2.gz LJOUNEJBEZSFEL-NXHRZFHOSA-N 2 2 349.450 1.297 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC000346360243 143196468 /nfs/dbraw/zinc/19/64/68/143196468.db2.gz LJOUNEJBEZSFEL-NXHRZFHOSA-N 2 2 349.450 1.297 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000346373273 143198047 /nfs/dbraw/zinc/19/80/47/143198047.db2.gz NYMYCUZKFHSURZ-HZPDHXFCSA-N 2 2 341.496 1.103 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CCN2CCOCC2)CCC[NH+]1C ZINC000346885144 143256191 /nfs/dbraw/zinc/25/61/91/143256191.db2.gz MXGBKZPMINAHLA-FUHWJXTLSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CCN2CCOCC2)CCC[NH+]1C ZINC000346885144 143256192 /nfs/dbraw/zinc/25/61/92/143256192.db2.gz MXGBKZPMINAHLA-FUHWJXTLSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CCN2CCOCC2)CCC[N@@H+]1C ZINC000346885144 143256193 /nfs/dbraw/zinc/25/61/93/143256193.db2.gz MXGBKZPMINAHLA-FUHWJXTLSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CCN2CCOCC2)CCC[N@H+]1C ZINC000346885144 143256194 /nfs/dbraw/zinc/25/61/94/143256194.db2.gz MXGBKZPMINAHLA-FUHWJXTLSA-N 2 2 335.496 1.067 20 0 EDADLP COc1ccncc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000347179834 143291781 /nfs/dbraw/zinc/29/17/81/143291781.db2.gz ZZNJFCVLJISYCB-HOTGVXAUSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccncc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000347179834 143291782 /nfs/dbraw/zinc/29/17/82/143291782.db2.gz ZZNJFCVLJISYCB-HOTGVXAUSA-N 2 2 347.438 1.868 20 0 EDADLP CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000347793148 143363917 /nfs/dbraw/zinc/36/39/17/143363917.db2.gz GQDPXOYBMMSTHF-ZDUSSCGKSA-N 2 2 338.418 1.995 20 0 EDADLP CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000347793148 143363918 /nfs/dbraw/zinc/36/39/18/143363918.db2.gz GQDPXOYBMMSTHF-ZDUSSCGKSA-N 2 2 338.418 1.995 20 0 EDADLP COc1cc[nH+]c(CN2C[C@@H](OC)C[C@@H]2C[NH+]2CCCC2)c1OC ZINC000348020466 143392006 /nfs/dbraw/zinc/39/20/06/143392006.db2.gz CPALXGCIBYKWNH-CABCVRRESA-N 2 2 335.448 1.784 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000369686707 155135716 /nfs/dbraw/zinc/13/57/16/155135716.db2.gz YZFWJLRMYBMYNZ-INIZCTEOSA-N 2 2 347.459 1.174 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)n[nH]1 ZINC000573098022 306611795 /nfs/dbraw/zinc/61/17/95/306611795.db2.gz RUKQHEMUONAPRG-HNNXBMFYSA-N 2 2 344.463 1.990 20 0 EDADLP CC[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369790959 155179524 /nfs/dbraw/zinc/17/95/24/155179524.db2.gz PFXPBXKZJNJXLC-ZBFHGGJFSA-N 2 2 340.537 1.692 20 0 EDADLP CC[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369790959 155179526 /nfs/dbraw/zinc/17/95/26/155179526.db2.gz PFXPBXKZJNJXLC-ZBFHGGJFSA-N 2 2 340.537 1.692 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247162928 286068685 /nfs/dbraw/zinc/06/86/85/286068685.db2.gz SSRURQRCDFTRBZ-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247162928 286068686 /nfs/dbraw/zinc/06/86/86/286068686.db2.gz SSRURQRCDFTRBZ-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369900103 155222000 /nfs/dbraw/zinc/22/20/00/155222000.db2.gz LZWWLNWUERMVNL-OAHLLOKOSA-N 2 2 348.447 1.288 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000369900103 155222003 /nfs/dbraw/zinc/22/20/03/155222003.db2.gz LZWWLNWUERMVNL-OAHLLOKOSA-N 2 2 348.447 1.288 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000352664353 149107772 /nfs/dbraw/zinc/10/77/72/149107772.db2.gz LFZNBHMUJLOXKO-UHFFFAOYSA-N 2 2 348.516 1.393 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000352664353 149107773 /nfs/dbraw/zinc/10/77/73/149107773.db2.gz LFZNBHMUJLOXKO-UHFFFAOYSA-N 2 2 348.516 1.393 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416900898 304354551 /nfs/dbraw/zinc/35/45/51/304354551.db2.gz AWTMNUDCVPKGNW-DOMZBBRYSA-N 2 2 331.420 1.425 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352699740 149120506 /nfs/dbraw/zinc/12/05/06/149120506.db2.gz DTLCICFCTKKHAU-GOSISDBHSA-N 3 2 326.448 1.055 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[N@@H+]1C ZINC000352752014 149149563 /nfs/dbraw/zinc/14/95/63/149149563.db2.gz IFLODQWVQDLNAW-HIFRSBDPSA-N 2 2 328.420 1.931 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[N@H+]1C ZINC000352752014 149149566 /nfs/dbraw/zinc/14/95/66/149149566.db2.gz IFLODQWVQDLNAW-HIFRSBDPSA-N 2 2 328.420 1.931 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000352778498 149162690 /nfs/dbraw/zinc/16/26/90/149162690.db2.gz HMFQKNWJPUVPEK-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000352778498 149162691 /nfs/dbraw/zinc/16/26/91/149162691.db2.gz HMFQKNWJPUVPEK-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000353020498 149255319 /nfs/dbraw/zinc/25/53/19/149255319.db2.gz INKBNZOUKTUORD-UHFFFAOYSA-N 2 2 325.453 1.851 20 0 EDADLP CO[C@@H](C)C[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000353203817 149323264 /nfs/dbraw/zinc/32/32/64/149323264.db2.gz LZJOPUYZWBDBBX-INIZCTEOSA-N 2 2 349.475 1.102 20 0 EDADLP CO[C@@H](C)C[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000353203817 149323266 /nfs/dbraw/zinc/32/32/66/149323266.db2.gz LZJOPUYZWBDBBX-INIZCTEOSA-N 2 2 349.475 1.102 20 0 EDADLP COc1cc2c(c(C[NH+]3CCC([N@H+](C)CCO)CC3)c1)O[C@@H](C)C2 ZINC000353255087 149341104 /nfs/dbraw/zinc/34/11/04/149341104.db2.gz OZPSMGOQGHAWPO-AWEZNQCLSA-N 2 2 334.460 1.907 20 0 EDADLP COc1cc2c(c(C[NH+]3CCC([N@@H+](C)CCO)CC3)c1)O[C@@H](C)C2 ZINC000353255087 149341107 /nfs/dbraw/zinc/34/11/07/149341107.db2.gz OZPSMGOQGHAWPO-AWEZNQCLSA-N 2 2 334.460 1.907 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416963547 304356121 /nfs/dbraw/zinc/35/61/21/304356121.db2.gz VGGADAXXCUDTNK-HOCLYGCPSA-N 2 2 327.432 1.605 20 0 EDADLP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH+](CCO)CC1 ZINC000353353659 149376835 /nfs/dbraw/zinc/37/68/35/149376835.db2.gz NTDDRFYQPBIUBJ-UHFFFAOYSA-N 2 2 340.851 2.000 20 0 EDADLP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CC[NH+](CCO)CC1 ZINC000353353659 149376838 /nfs/dbraw/zinc/37/68/38/149376838.db2.gz NTDDRFYQPBIUBJ-UHFFFAOYSA-N 2 2 340.851 2.000 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000353414714 149396499 /nfs/dbraw/zinc/39/64/99/149396499.db2.gz KMDJMCIXVJZLCT-HNNXBMFYSA-N 2 2 347.450 1.173 20 0 EDADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)Cc2ccccc2C1 ZINC000369942192 155244400 /nfs/dbraw/zinc/24/44/00/155244400.db2.gz MECJFOMQNRKRGZ-UHFFFAOYSA-N 2 2 345.487 1.313 20 0 EDADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)Cc2ccccc2C1 ZINC000369942192 155244403 /nfs/dbraw/zinc/24/44/03/155244403.db2.gz MECJFOMQNRKRGZ-UHFFFAOYSA-N 2 2 345.487 1.313 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000354899350 150019410 /nfs/dbraw/zinc/01/94/10/150019410.db2.gz LOLRSXKFWQYSEL-CRAIPNDOSA-N 2 2 347.459 1.291 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000354899350 150019413 /nfs/dbraw/zinc/01/94/13/150019413.db2.gz LOLRSXKFWQYSEL-CRAIPNDOSA-N 2 2 347.459 1.291 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)Cc2cc[nH]n2)cc[nH+]1 ZINC000354917825 150031146 /nfs/dbraw/zinc/03/11/46/150031146.db2.gz IALQQBGPFJMYDX-GXTWGEPZSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)Cc2cc[nH]n2)cc[nH+]1 ZINC000354917825 150031149 /nfs/dbraw/zinc/03/11/49/150031149.db2.gz IALQQBGPFJMYDX-GXTWGEPZSA-N 2 2 333.415 1.315 20 0 EDADLP C[C@H]1CN(C(=O)CNc2cccc(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354979528 150062824 /nfs/dbraw/zinc/06/28/24/150062824.db2.gz SMBPGQOIOZZHDB-HNNXBMFYSA-N 2 2 348.466 1.865 20 0 EDADLP C[C@H]1CN(C(=O)CNc2cccc(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354979528 150062826 /nfs/dbraw/zinc/06/28/26/150062826.db2.gz SMBPGQOIOZZHDB-HNNXBMFYSA-N 2 2 348.466 1.865 20 0 EDADLP CCOC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000489058057 286159160 /nfs/dbraw/zinc/15/91/60/286159160.db2.gz LPIGQSPATUBQJI-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCSC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355070279 150103169 /nfs/dbraw/zinc/10/31/69/150103169.db2.gz MLSXUQHZLOKHRE-HUUCEWRRSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCSC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355070279 150103172 /nfs/dbraw/zinc/10/31/72/150103172.db2.gz MLSXUQHZLOKHRE-HUUCEWRRSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@]2(C)CCOC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355095849 150115029 /nfs/dbraw/zinc/11/50/29/150115029.db2.gz CGSYHWDIQHOGQS-QAPCUYQASA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@]2(C)CCOC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355095849 150115031 /nfs/dbraw/zinc/11/50/31/150115031.db2.gz CGSYHWDIQHOGQS-QAPCUYQASA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N3CCCC[C@@H]3C[NH3+])c[nH+]2)CCO1 ZINC000416984067 304361599 /nfs/dbraw/zinc/36/15/99/304361599.db2.gz JTZBARZBBDYPIP-GOEBONIOSA-N 2 2 347.463 1.330 20 0 EDADLP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000355513423 150299398 /nfs/dbraw/zinc/29/93/98/150299398.db2.gz LZHYZXMCSVJEOL-RBUKOAKNSA-N 2 2 343.471 1.442 20 0 EDADLP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000355513423 150299399 /nfs/dbraw/zinc/29/93/99/150299399.db2.gz LZHYZXMCSVJEOL-RBUKOAKNSA-N 2 2 343.471 1.442 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(C[NH+](C)C)on2)cc1 ZINC000355603530 150333002 /nfs/dbraw/zinc/33/30/02/150333002.db2.gz ZBEYISRQLLHEJY-UHFFFAOYSA-N 2 2 345.403 1.489 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000355728283 150377632 /nfs/dbraw/zinc/37/76/32/150377632.db2.gz LNYBCAZASJLKPS-CYBMUJFWSA-N 2 2 331.420 1.565 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)CCn2c(C)nc3ccccc32)CCO1 ZINC000357410381 151023561 /nfs/dbraw/zinc/02/35/61/151023561.db2.gz SZWWSOLOVFUNDC-MRXNPFEDSA-N 2 2 344.459 1.962 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)CCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000357410381 151023563 /nfs/dbraw/zinc/02/35/63/151023563.db2.gz SZWWSOLOVFUNDC-MRXNPFEDSA-N 2 2 344.459 1.962 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)CCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000357410381 151023564 /nfs/dbraw/zinc/02/35/64/151023564.db2.gz SZWWSOLOVFUNDC-MRXNPFEDSA-N 2 2 344.459 1.962 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000357625750 151089504 /nfs/dbraw/zinc/08/95/04/151089504.db2.gz JMOHYJUZGDEFSW-HZPDHXFCSA-N 2 2 325.497 1.555 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000357625750 151089506 /nfs/dbraw/zinc/08/95/06/151089506.db2.gz JMOHYJUZGDEFSW-HZPDHXFCSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645262 151098588 /nfs/dbraw/zinc/09/85/88/151098588.db2.gz JIITXVBJSQHRRA-HLLBOEOZSA-N 2 2 325.497 1.458 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645262 151098589 /nfs/dbraw/zinc/09/85/89/151098589.db2.gz JIITXVBJSQHRRA-HLLBOEOZSA-N 2 2 325.497 1.458 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357646032 151099844 /nfs/dbraw/zinc/09/98/44/151099844.db2.gz JRMQPVXDJSERJL-AWEZNQCLSA-N 2 2 335.448 1.411 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357646032 151099846 /nfs/dbraw/zinc/09/98/46/151099846.db2.gz JRMQPVXDJSERJL-AWEZNQCLSA-N 2 2 335.448 1.411 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000417069616 304369306 /nfs/dbraw/zinc/36/93/06/304369306.db2.gz JSERYWISRABPDR-RHSMWYFYSA-N 2 2 327.432 1.871 20 0 EDADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649576 151101362 /nfs/dbraw/zinc/10/13/62/151101362.db2.gz NFSBJWWQEGTASY-NVXWUHKLSA-N 2 2 325.497 1.412 20 0 EDADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649576 151101364 /nfs/dbraw/zinc/10/13/64/151101364.db2.gz NFSBJWWQEGTASY-NVXWUHKLSA-N 2 2 325.497 1.412 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651408 151102424 /nfs/dbraw/zinc/10/24/24/151102424.db2.gz RXDCTQHCPCIBCJ-IRXDYDNUSA-N 2 2 347.503 1.949 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651408 151102427 /nfs/dbraw/zinc/10/24/27/151102427.db2.gz RXDCTQHCPCIBCJ-IRXDYDNUSA-N 2 2 347.503 1.949 20 0 EDADLP CCN(C(=O)[C@@H](C)[NH+]1CCC([N@H+](C)CCO)CC1)C1CCCCC1 ZINC000357723667 151126646 /nfs/dbraw/zinc/12/66/46/151126646.db2.gz XCOCQPUBQJGBIN-MRXNPFEDSA-N 2 2 339.524 1.945 20 0 EDADLP CCN(C(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)CCO)CC1)C1CCCCC1 ZINC000357723667 151126648 /nfs/dbraw/zinc/12/66/48/151126648.db2.gz XCOCQPUBQJGBIN-MRXNPFEDSA-N 2 2 339.524 1.945 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cn3cc(C)cn3)CC2)CC1 ZINC000357840812 151169008 /nfs/dbraw/zinc/16/90/08/151169008.db2.gz XDTWCMQPWGAGOX-QGZVFWFLSA-N 2 2 347.507 1.456 20 0 EDADLP C[C@H](CCN1CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000358168906 151294518 /nfs/dbraw/zinc/29/45/18/151294518.db2.gz OFACTCRAFKRKCA-NSHGMRRFSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@H](CCN1CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000358168906 151294521 /nfs/dbraw/zinc/29/45/21/151294521.db2.gz OFACTCRAFKRKCA-NSHGMRRFSA-N 2 2 346.519 1.992 20 0 EDADLP CCOc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1OC(F)F ZINC000358172683 151295939 /nfs/dbraw/zinc/29/59/39/151295939.db2.gz UGKRTDBAUYTLTH-MRXNPFEDSA-N 2 2 330.375 1.843 20 0 EDADLP CCOc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1OC(F)F ZINC000358172683 151295940 /nfs/dbraw/zinc/29/59/40/151295940.db2.gz UGKRTDBAUYTLTH-MRXNPFEDSA-N 2 2 330.375 1.843 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(C)s1 ZINC000358343150 151343662 /nfs/dbraw/zinc/34/36/62/151343662.db2.gz ROGVCQLOYGUNJU-MFKMUULPSA-N 2 2 331.507 1.183 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(C)s1 ZINC000358343150 151343664 /nfs/dbraw/zinc/34/36/64/151343664.db2.gz ROGVCQLOYGUNJU-MFKMUULPSA-N 2 2 331.507 1.183 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000360344665 152001395 /nfs/dbraw/zinc/00/13/95/152001395.db2.gz OGTOGPXLUPNWAA-FUHWJXTLSA-N 2 2 330.476 1.499 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000360344665 152001399 /nfs/dbraw/zinc/00/13/99/152001399.db2.gz OGTOGPXLUPNWAA-FUHWJXTLSA-N 2 2 330.476 1.499 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360564416 152098833 /nfs/dbraw/zinc/09/88/33/152098833.db2.gz QVBBAWKFHCPJAZ-HXUWFJFHSA-N 2 2 345.487 1.990 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360564416 152098834 /nfs/dbraw/zinc/09/88/34/152098834.db2.gz QVBBAWKFHCPJAZ-HXUWFJFHSA-N 2 2 345.487 1.990 20 0 EDADLP CO[C@@H]1CCC[C@H]1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360810564 152215552 /nfs/dbraw/zinc/21/55/52/152215552.db2.gz MFHPJLGVGBVENT-USXIJHARSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CCC[C@H]1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360810564 152215554 /nfs/dbraw/zinc/21/55/54/152215554.db2.gz MFHPJLGVGBVENT-USXIJHARSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H](OC1CCCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360884872 152241998 /nfs/dbraw/zinc/24/19/98/152241998.db2.gz UJXZRCXLUVONFJ-QGZVFWFLSA-N 2 2 325.497 1.866 20 0 EDADLP COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000360933731 152256046 /nfs/dbraw/zinc/25/60/46/152256046.db2.gz UYTWQPUEOIWWDQ-YJBOKZPZSA-N 2 2 345.487 1.768 20 0 EDADLP COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000360933731 152256048 /nfs/dbraw/zinc/25/60/48/152256048.db2.gz UYTWQPUEOIWWDQ-YJBOKZPZSA-N 2 2 345.487 1.768 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000361050968 152290104 /nfs/dbraw/zinc/29/01/04/152290104.db2.gz IRYXBEUTZFMJIG-LPHOPBHVSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000361050968 152290106 /nfs/dbraw/zinc/29/01/06/152290106.db2.gz IRYXBEUTZFMJIG-LPHOPBHVSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1ccc(F)cc1C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000361050968 152290109 /nfs/dbraw/zinc/29/01/09/152290109.db2.gz IRYXBEUTZFMJIG-LPHOPBHVSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1ccc(F)cc1C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000361050968 152290111 /nfs/dbraw/zinc/29/01/11/152290111.db2.gz IRYXBEUTZFMJIG-LPHOPBHVSA-N 2 2 335.467 1.971 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000361127418 152313468 /nfs/dbraw/zinc/31/34/68/152313468.db2.gz XOSVYGDKHODFOR-RDJZCZTQSA-N 2 2 345.491 1.888 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000361127418 152313470 /nfs/dbraw/zinc/31/34/70/152313470.db2.gz XOSVYGDKHODFOR-RDJZCZTQSA-N 2 2 345.491 1.888 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361354026 152370104 /nfs/dbraw/zinc/37/01/04/152370104.db2.gz CHYBJUHCHAYTLS-UKRRQHHQSA-N 2 2 330.476 1.813 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000361354026 152370105 /nfs/dbraw/zinc/37/01/05/152370105.db2.gz CHYBJUHCHAYTLS-UKRRQHHQSA-N 2 2 330.476 1.813 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417168214 304380071 /nfs/dbraw/zinc/38/00/71/304380071.db2.gz AMAPDIUHHJEGOC-KRWDZBQOSA-N 2 2 334.464 1.277 20 0 EDADLP COCc1noc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)n1 ZINC000363650881 153023000 /nfs/dbraw/zinc/02/30/00/153023000.db2.gz JHBTTZISUQFCCA-GXTWGEPZSA-N 2 2 346.435 1.942 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(cn1)OCCC2 ZINC000363697806 153033102 /nfs/dbraw/zinc/03/31/02/153033102.db2.gz IKWSVFGCCIBSCR-UHFFFAOYSA-N 2 2 346.475 1.505 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(cn1)OCCC2 ZINC000363697806 153033105 /nfs/dbraw/zinc/03/31/05/153033105.db2.gz IKWSVFGCCIBSCR-UHFFFAOYSA-N 2 2 346.475 1.505 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417186650 304382166 /nfs/dbraw/zinc/38/21/66/304382166.db2.gz VMDXXMARPWUOSA-IRXDYDNUSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])[NH+]2CCOCC2)cc1 ZINC000417189895 304382628 /nfs/dbraw/zinc/38/26/28/304382628.db2.gz ZKZLJWIUJPBCFQ-DOTOQJQBSA-N 2 2 334.464 1.357 20 0 EDADLP Cc1nnc2n1C[C@H]([NH2+][C@@H]1CC[N@H+](CCc3ccccc3)C1)CC2 ZINC000364374281 153220289 /nfs/dbraw/zinc/22/02/89/153220289.db2.gz JBEMTXVQQJCITA-QZTJIDSGSA-N 2 2 325.460 1.808 20 0 EDADLP Cc1nnc2n1C[C@H]([NH2+][C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000364374281 153220293 /nfs/dbraw/zinc/22/02/93/153220293.db2.gz JBEMTXVQQJCITA-QZTJIDSGSA-N 2 2 325.460 1.808 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)C2 ZINC000364570978 153274638 /nfs/dbraw/zinc/27/46/38/153274638.db2.gz STKSTSZOHURWDB-KGLIPLIRSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)C2 ZINC000364570978 153274643 /nfs/dbraw/zinc/27/46/43/153274643.db2.gz STKSTSZOHURWDB-KGLIPLIRSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)CC2 ZINC000364570978 153274645 /nfs/dbraw/zinc/27/46/45/153274645.db2.gz STKSTSZOHURWDB-KGLIPLIRSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)CC2 ZINC000364570978 153274651 /nfs/dbraw/zinc/27/46/51/153274651.db2.gz STKSTSZOHURWDB-KGLIPLIRSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364697669 153307374 /nfs/dbraw/zinc/30/73/74/153307374.db2.gz OXZPXNHOLAXTEY-SOLBZPMBSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364697669 153307377 /nfs/dbraw/zinc/30/73/77/153307377.db2.gz OXZPXNHOLAXTEY-SOLBZPMBSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000364697669 153307379 /nfs/dbraw/zinc/30/73/79/153307379.db2.gz OXZPXNHOLAXTEY-SOLBZPMBSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000364697669 153307382 /nfs/dbraw/zinc/30/73/82/153307382.db2.gz OXZPXNHOLAXTEY-SOLBZPMBSA-N 2 2 349.523 1.990 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H]2CCN(C)C2=O)[C@@H]1c1cnn(C)c1 ZINC000364701796 153308890 /nfs/dbraw/zinc/30/88/90/153308890.db2.gz XZBIYYTVKQLVBN-USXIJHARSA-N 2 2 333.480 1.356 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H]2CCN(C)C2=O)[C@@H]1c1cnn(C)c1 ZINC000364701796 153308894 /nfs/dbraw/zinc/30/88/94/153308894.db2.gz XZBIYYTVKQLVBN-USXIJHARSA-N 2 2 333.480 1.356 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H]2CCN(C)C2=O)[C@@H]1c1cnn(C)c1 ZINC000364701796 153308897 /nfs/dbraw/zinc/30/88/97/153308897.db2.gz XZBIYYTVKQLVBN-USXIJHARSA-N 2 2 333.480 1.356 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H]2CCN(C)C2=O)[C@@H]1c1cnn(C)c1 ZINC000364701796 153308898 /nfs/dbraw/zinc/30/88/98/153308898.db2.gz XZBIYYTVKQLVBN-USXIJHARSA-N 2 2 333.480 1.356 20 0 EDADLP CCCn1nc(C)c(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1C ZINC000365012588 153398116 /nfs/dbraw/zinc/39/81/16/153398116.db2.gz AOBPHNMYJQSRNK-UHFFFAOYSA-N 2 2 347.507 1.648 20 0 EDADLP CCCn1nc(C)c(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1C ZINC000365012588 153398117 /nfs/dbraw/zinc/39/81/17/153398117.db2.gz AOBPHNMYJQSRNK-UHFFFAOYSA-N 2 2 347.507 1.648 20 0 EDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1CC[NH2+]C1 ZINC000417226226 304385748 /nfs/dbraw/zinc/38/57/48/304385748.db2.gz UAMJQWYQFALJCO-SNVBAGLBSA-N 2 2 338.209 1.258 20 0 EDADLP COCCOCc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000367466048 154135143 /nfs/dbraw/zinc/13/51/43/154135143.db2.gz QWXPAJCCNSXQCX-OALUTQOASA-N 2 2 334.460 1.802 20 0 EDADLP COCCOCc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000367466048 154135145 /nfs/dbraw/zinc/13/51/45/154135145.db2.gz QWXPAJCCNSXQCX-OALUTQOASA-N 2 2 334.460 1.802 20 0 EDADLP COc1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1OC ZINC000367472371 154139518 /nfs/dbraw/zinc/13/95/18/154139518.db2.gz JUKBTWSQQVMUQG-KRWDZBQOSA-N 2 2 333.476 1.916 20 0 EDADLP COc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1OC ZINC000367472371 154139521 /nfs/dbraw/zinc/13/95/21/154139521.db2.gz JUKBTWSQQVMUQG-KRWDZBQOSA-N 2 2 333.476 1.916 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000367499302 154149606 /nfs/dbraw/zinc/14/96/06/154149606.db2.gz AWMFZXXLVQIGMC-AWEZNQCLSA-N 2 2 328.482 1.535 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000367499302 154149608 /nfs/dbraw/zinc/14/96/08/154149608.db2.gz AWMFZXXLVQIGMC-AWEZNQCLSA-N 2 2 328.482 1.535 20 0 EDADLP CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367679326 154226320 /nfs/dbraw/zinc/22/63/20/154226320.db2.gz SIKUSCPPRRWUBL-IAGOWNOFSA-N 2 2 325.497 1.678 20 0 EDADLP CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367679326 154226326 /nfs/dbraw/zinc/22/63/26/154226326.db2.gz SIKUSCPPRRWUBL-IAGOWNOFSA-N 2 2 325.497 1.678 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC000367845136 154296578 /nfs/dbraw/zinc/29/65/78/154296578.db2.gz ANPHHWPZFWMACX-IBGZPJMESA-N 2 2 337.508 1.870 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC000367845136 154296580 /nfs/dbraw/zinc/29/65/80/154296580.db2.gz ANPHHWPZFWMACX-IBGZPJMESA-N 2 2 337.508 1.870 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC000367845136 154296582 /nfs/dbraw/zinc/29/65/82/154296582.db2.gz ANPHHWPZFWMACX-IBGZPJMESA-N 2 2 337.508 1.870 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC000367845136 154296585 /nfs/dbraw/zinc/29/65/85/154296585.db2.gz ANPHHWPZFWMACX-IBGZPJMESA-N 2 2 337.508 1.870 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)cc[nH+]1 ZINC000367958861 154344204 /nfs/dbraw/zinc/34/42/04/154344204.db2.gz TYCNPOYCCFEXMS-AWEZNQCLSA-N 2 2 326.404 1.208 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)NCc3[nH+]ccn3C)C2)nc(C)[nH+]1 ZINC000369119608 154879012 /nfs/dbraw/zinc/87/90/12/154879012.db2.gz LZEQKDQWQIPQIZ-AWEZNQCLSA-N 2 2 343.435 1.295 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000369421446 155026027 /nfs/dbraw/zinc/02/60/27/155026027.db2.gz OBEBEGLTUKSOCU-ZBFHGGJFSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000369421446 155026029 /nfs/dbraw/zinc/02/60/29/155026029.db2.gz OBEBEGLTUKSOCU-ZBFHGGJFSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCC(=O)c1ccccc1 ZINC000369443694 155037269 /nfs/dbraw/zinc/03/72/69/155037269.db2.gz QNYAZNHUBCVPKQ-IEBWSBKVSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCC(=O)c1ccccc1 ZINC000369443694 155037272 /nfs/dbraw/zinc/03/72/72/155037272.db2.gz QNYAZNHUBCVPKQ-IEBWSBKVSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCC(=O)c1ccccc1 ZINC000369443694 155037274 /nfs/dbraw/zinc/03/72/74/155037274.db2.gz QNYAZNHUBCVPKQ-IEBWSBKVSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCC(=O)c1ccccc1 ZINC000369443694 155037277 /nfs/dbraw/zinc/03/72/77/155037277.db2.gz QNYAZNHUBCVPKQ-IEBWSBKVSA-N 2 2 345.487 1.596 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369579985 155097683 /nfs/dbraw/zinc/09/76/83/155097683.db2.gz WVHMGVJXKCMFIK-CVEARBPZSA-N 2 2 349.479 1.198 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369579985 155097686 /nfs/dbraw/zinc/09/76/86/155097686.db2.gz WVHMGVJXKCMFIK-CVEARBPZSA-N 2 2 349.479 1.198 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369658901 155123059 /nfs/dbraw/zinc/12/30/59/155123059.db2.gz DZQVILGCDAWBQR-YESZJQIVSA-N 2 2 343.475 1.773 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369658901 155123060 /nfs/dbraw/zinc/12/30/60/155123060.db2.gz DZQVILGCDAWBQR-YESZJQIVSA-N 2 2 343.475 1.773 20 0 EDADLP COCCCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767984 292330826 /nfs/dbraw/zinc/33/08/26/292330826.db2.gz AGJXUIKMURIUSQ-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000371570019 156008092 /nfs/dbraw/zinc/00/80/92/156008092.db2.gz FYDMIVDBAGURGI-UHFFFAOYSA-N 2 2 342.447 1.321 20 0 EDADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000371963733 156187141 /nfs/dbraw/zinc/18/71/41/156187141.db2.gz XGXNPRSECWSIGA-INIZCTEOSA-N 2 2 333.480 1.345 20 0 EDADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000371963733 156187146 /nfs/dbraw/zinc/18/71/46/156187146.db2.gz XGXNPRSECWSIGA-INIZCTEOSA-N 2 2 333.480 1.345 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000372159079 156249032 /nfs/dbraw/zinc/24/90/32/156249032.db2.gz XJWWJEGRLUGSRO-DLBZAZTESA-N 2 2 347.459 1.282 20 0 EDADLP O=C(C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000372159079 156249037 /nfs/dbraw/zinc/24/90/37/156249037.db2.gz XJWWJEGRLUGSRO-DLBZAZTESA-N 2 2 347.459 1.282 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn4ccnc4s3)C2)CC1 ZINC000372278628 156308236 /nfs/dbraw/zinc/30/82/36/156308236.db2.gz SNXHHPRRNNSSJD-LBPRGKRZSA-N 2 2 333.461 1.294 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn4ccnc4s3)C2)CC1 ZINC000372278628 156308239 /nfs/dbraw/zinc/30/82/39/156308239.db2.gz SNXHHPRRNNSSJD-LBPRGKRZSA-N 2 2 333.461 1.294 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCCCc3ccccc3)CCO2)CC1 ZINC000372356518 156350932 /nfs/dbraw/zinc/35/09/32/156350932.db2.gz NZNFOUSNCKOYMU-HXUWFJFHSA-N 2 2 331.504 1.958 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCCCc3ccccc3)CCO2)CC1 ZINC000372356518 156350935 /nfs/dbraw/zinc/35/09/35/156350935.db2.gz NZNFOUSNCKOYMU-HXUWFJFHSA-N 2 2 331.504 1.958 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)C2 ZINC000372445333 156392687 /nfs/dbraw/zinc/39/26/87/156392687.db2.gz JHVFFYLRFIDCMC-CQSZACIVSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)CC2 ZINC000372445333 156392688 /nfs/dbraw/zinc/39/26/88/156392688.db2.gz JHVFFYLRFIDCMC-CQSZACIVSA-N 2 2 348.491 1.601 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccncc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374257728 157215346 /nfs/dbraw/zinc/21/53/46/157215346.db2.gz FOTIJAISRRMEPG-HNNXBMFYSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccncc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374257728 157215351 /nfs/dbraw/zinc/21/53/51/157215351.db2.gz FOTIJAISRRMEPG-HNNXBMFYSA-N 2 2 331.464 1.392 20 0 EDADLP Cn1nncc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374284433 157226719 /nfs/dbraw/zinc/22/67/19/157226719.db2.gz PYVWJKQEIYXULJ-UHFFFAOYSA-N 3 2 334.512 1.443 20 0 EDADLP Cn1nncc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374284433 157226723 /nfs/dbraw/zinc/22/67/23/157226723.db2.gz PYVWJKQEIYXULJ-UHFFFAOYSA-N 3 2 334.512 1.443 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000378059315 158067914 /nfs/dbraw/zinc/06/79/14/158067914.db2.gz YKEINKHDCDIORU-CRAIPNDOSA-N 2 2 340.427 1.808 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000378181307 158102578 /nfs/dbraw/zinc/10/25/78/158102578.db2.gz YYFJWRFPANRSQO-NVXWUHKLSA-N 2 2 345.491 1.888 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@H]21 ZINC000378181307 158102579 /nfs/dbraw/zinc/10/25/79/158102579.db2.gz YYFJWRFPANRSQO-NVXWUHKLSA-N 2 2 345.491 1.888 20 0 EDADLP C[C@@H]([NH3+])c1ccc(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000378189688 158104368 /nfs/dbraw/zinc/10/43/68/158104368.db2.gz ZELWCCULVKPYPF-CQSZACIVSA-N 2 2 343.431 1.487 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(=O)n2ccsc2n1 ZINC000378249228 158120202 /nfs/dbraw/zinc/12/02/02/158120202.db2.gz OUEPMBDMOZAJRD-RBSFLKMASA-N 2 2 348.472 1.440 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(=O)n2ccsc2n1 ZINC000378249228 158120208 /nfs/dbraw/zinc/12/02/08/158120208.db2.gz OUEPMBDMOZAJRD-RBSFLKMASA-N 2 2 348.472 1.440 20 0 EDADLP Cc1nn(C)c(C)c1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378364233 158152338 /nfs/dbraw/zinc/15/23/38/158152338.db2.gz AAZYAIDUUUXQPN-CYBMUJFWSA-N 2 2 333.480 1.277 20 0 EDADLP Cc1nn(C)c(C)c1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378364233 158152340 /nfs/dbraw/zinc/15/23/40/158152340.db2.gz AAZYAIDUUUXQPN-CYBMUJFWSA-N 2 2 333.480 1.277 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2cccc(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368584 158155259 /nfs/dbraw/zinc/15/52/59/158155259.db2.gz WFDOQGQQEWMDRH-OAHLLOKOSA-N 2 2 333.451 1.995 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2cccc(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368584 158155261 /nfs/dbraw/zinc/15/52/61/158155261.db2.gz WFDOQGQQEWMDRH-OAHLLOKOSA-N 2 2 333.451 1.995 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000408215842 158299609 /nfs/dbraw/zinc/29/96/09/158299609.db2.gz UAOTYMAXMXAPGD-BBRMVZONSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000408215842 158299611 /nfs/dbraw/zinc/29/96/11/158299611.db2.gz UAOTYMAXMXAPGD-BBRMVZONSA-N 2 2 334.464 1.666 20 0 EDADLP [NH3+]CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417927347 304432826 /nfs/dbraw/zinc/43/28/26/304432826.db2.gz PWHZTXOXESOVOB-KRWDZBQOSA-N 2 2 339.443 1.831 20 0 EDADLP C[N@H+](C[C@H](O)CN1C[C@H]2OCC[NH+](Cc3ccccc3)[C@H]2C1)C1CC1 ZINC000352365003 162141973 /nfs/dbraw/zinc/14/19/73/162141973.db2.gz LTXSDCCGKURMDZ-SLFFLAALSA-N 2 2 345.487 1.027 20 0 EDADLP C[N@@H+](C[C@H](O)CN1C[C@H]2OCC[NH+](Cc3ccccc3)[C@H]2C1)C1CC1 ZINC000352365003 162141975 /nfs/dbraw/zinc/14/19/75/162141975.db2.gz LTXSDCCGKURMDZ-SLFFLAALSA-N 2 2 345.487 1.027 20 0 EDADLP C[NH+](C[C@H](O)CN1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1)C1CC1 ZINC000352365003 162141978 /nfs/dbraw/zinc/14/19/78/162141978.db2.gz LTXSDCCGKURMDZ-SLFFLAALSA-N 2 2 345.487 1.027 20 0 EDADLP C[NH+](C[C@H](O)CN1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1)C1CC1 ZINC000352365003 162141980 /nfs/dbraw/zinc/14/19/80/162141980.db2.gz LTXSDCCGKURMDZ-SLFFLAALSA-N 2 2 345.487 1.027 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000352495451 162212788 /nfs/dbraw/zinc/21/27/88/162212788.db2.gz LTGABNRRTWNMCV-LSDHHAIUSA-N 2 2 333.432 1.146 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000352495451 162212791 /nfs/dbraw/zinc/21/27/91/162212791.db2.gz LTGABNRRTWNMCV-LSDHHAIUSA-N 2 2 333.432 1.146 20 0 EDADLP Cc1ncc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000352536122 162237476 /nfs/dbraw/zinc/23/74/76/162237476.db2.gz ZSSBXOWEFHCFFU-SFHVURJKSA-N 2 2 325.460 1.660 20 0 EDADLP Cc1[nH+]cc(CN2CCN([C@H]3CC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000352536122 162237478 /nfs/dbraw/zinc/23/74/78/162237478.db2.gz ZSSBXOWEFHCFFU-SFHVURJKSA-N 2 2 325.460 1.660 20 0 EDADLP Cc1cc(N2CCC([N@H+](C)CC(=O)NC(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000365830234 162365553 /nfs/dbraw/zinc/36/55/53/162365553.db2.gz LSVQDDDICFURGH-UHFFFAOYSA-N 2 2 348.451 1.004 20 0 EDADLP Cc1cc(N2CCC([N@@H+](C)CC(=O)NC(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000365830234 162365555 /nfs/dbraw/zinc/36/55/55/162365555.db2.gz LSVQDDDICFURGH-UHFFFAOYSA-N 2 2 348.451 1.004 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000359772400 287165669 /nfs/dbraw/zinc/16/56/69/287165669.db2.gz FZUQSURVECOHIV-QRQLOZEOSA-N 2 2 345.487 1.859 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCCn1cc[nH+]c1 ZINC000079876696 287303726 /nfs/dbraw/zinc/30/37/26/287303726.db2.gz RIFBVLSUUMRWTR-UHFFFAOYSA-N 2 2 333.411 1.796 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000089268962 287320072 /nfs/dbraw/zinc/32/00/72/287320072.db2.gz FEBAJUFVFWOFMI-IAGOWNOFSA-N 2 2 338.540 1.449 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000089268962 287320074 /nfs/dbraw/zinc/32/00/74/287320074.db2.gz FEBAJUFVFWOFMI-IAGOWNOFSA-N 2 2 338.540 1.449 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000089268962 287320077 /nfs/dbraw/zinc/32/00/77/287320077.db2.gz FEBAJUFVFWOFMI-IAGOWNOFSA-N 2 2 338.540 1.449 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000089268962 287320080 /nfs/dbraw/zinc/32/00/80/287320080.db2.gz FEBAJUFVFWOFMI-IAGOWNOFSA-N 2 2 338.540 1.449 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119029983 287349091 /nfs/dbraw/zinc/34/90/91/287349091.db2.gz PULRYIACOFBCBX-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000134733789 287367799 /nfs/dbraw/zinc/36/77/99/287367799.db2.gz KZOJEXDBIRJWIN-CVEARBPZSA-N 2 2 343.537 1.607 20 0 EDADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000134733789 287367801 /nfs/dbraw/zinc/36/78/01/287367801.db2.gz KZOJEXDBIRJWIN-CVEARBPZSA-N 2 2 343.537 1.607 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000123268688 222247102 /nfs/dbraw/zinc/24/71/02/222247102.db2.gz YWLSRORCUNHMFS-IAGOWNOFSA-N 2 2 345.491 1.937 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000123268688 222247105 /nfs/dbraw/zinc/24/71/05/222247105.db2.gz YWLSRORCUNHMFS-IAGOWNOFSA-N 2 2 345.491 1.937 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCCCCCO)([NH+]2CCCCC2)CC1 ZINC000193082342 272987950 /nfs/dbraw/zinc/98/79/50/272987950.db2.gz IUNJLXDMMUMFCC-UHFFFAOYSA-N 2 2 340.512 1.399 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc12 ZINC000193437449 272993327 /nfs/dbraw/zinc/99/33/27/272993327.db2.gz QKWUZBJJUURZAB-UHFFFAOYSA-N 2 2 342.491 1.490 20 0 EDADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3COCC[NH2+]3)c2)C[C@@H](C)O1 ZINC000237426265 273010120 /nfs/dbraw/zinc/01/01/20/273010120.db2.gz WDBZEQFXCMDPAM-CPUCHLNUSA-N 2 2 333.432 1.223 20 0 EDADLP C[C@@H]1[C@H](C)OCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120624560 267450194 /nfs/dbraw/zinc/45/01/94/267450194.db2.gz GRINBHWXMFZYGL-CABCVRRESA-N 2 2 338.496 1.364 20 0 EDADLP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000657824215 452551097 /nfs/dbraw/zinc/55/10/97/452551097.db2.gz DVYMAIHUPSTJLV-ROUUACIJSA-N 2 2 328.497 1.765 20 0 EDADLP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000657824215 452551111 /nfs/dbraw/zinc/55/11/11/452551111.db2.gz DVYMAIHUPSTJLV-ROUUACIJSA-N 2 2 328.497 1.765 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000273055696 267971396 /nfs/dbraw/zinc/97/13/96/267971396.db2.gz IGXKEJHHUVYOJC-GOSISDBHSA-N 2 2 345.487 1.608 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCOCC1)N1CC[NH+](C)CC1 ZINC000273303557 268020214 /nfs/dbraw/zinc/02/02/14/268020214.db2.gz LGQIAEHPHYYMOT-INIZCTEOSA-N 2 2 346.475 1.093 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000274742801 268195322 /nfs/dbraw/zinc/19/53/22/268195322.db2.gz CXSXBKIEIJEKHX-CQSZACIVSA-N 2 2 347.381 1.876 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000274742801 268195323 /nfs/dbraw/zinc/19/53/23/268195323.db2.gz CXSXBKIEIJEKHX-CQSZACIVSA-N 2 2 347.381 1.876 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275910031 273133146 /nfs/dbraw/zinc/13/31/46/273133146.db2.gz SFMBHGQNTDEXIS-LBPRGKRZSA-N 2 2 334.420 1.217 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)CCCCO)CC1 ZINC000276402048 273165256 /nfs/dbraw/zinc/16/52/56/273165256.db2.gz OTCCFLSYWYIRJS-UHFFFAOYSA-N 2 2 333.476 1.344 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)CCCCO)CC1 ZINC000276402048 273165258 /nfs/dbraw/zinc/16/52/58/273165258.db2.gz OTCCFLSYWYIRJS-UHFFFAOYSA-N 2 2 333.476 1.344 20 0 EDADLP C[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000277425269 273195550 /nfs/dbraw/zinc/19/55/50/273195550.db2.gz KHYFGGNABCCRKA-MAUKXSAKSA-N 2 2 347.459 1.472 20 0 EDADLP C[NH+](C)Cc1nc(-c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)no1 ZINC000278134621 273249808 /nfs/dbraw/zinc/24/98/08/273249808.db2.gz QEIAUQXIWZVYGX-AWEZNQCLSA-N 2 2 329.404 1.248 20 0 EDADLP C[NH+](C)Cc1nc(-c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)no1 ZINC000278134621 273249809 /nfs/dbraw/zinc/24/98/09/273249809.db2.gz QEIAUQXIWZVYGX-AWEZNQCLSA-N 2 2 329.404 1.248 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000278884473 273267199 /nfs/dbraw/zinc/26/71/99/273267199.db2.gz HDHMJPCRQCWCKG-DLBZAZTESA-N 2 2 329.448 1.721 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000278884473 273267201 /nfs/dbraw/zinc/26/72/01/273267201.db2.gz HDHMJPCRQCWCKG-DLBZAZTESA-N 2 2 329.448 1.721 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c[nH+]2)CCO1 ZINC000279464065 273299753 /nfs/dbraw/zinc/29/97/53/273299753.db2.gz JHSGDGCBFUWXNW-YOEHRIQHSA-N 2 2 344.459 1.550 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)c[nH+]2)CCO1 ZINC000279464065 273299754 /nfs/dbraw/zinc/29/97/54/273299754.db2.gz JHSGDGCBFUWXNW-YOEHRIQHSA-N 2 2 344.459 1.550 20 0 EDADLP CN(C)[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)c1c[nH+]cn1C ZINC000280694553 273386652 /nfs/dbraw/zinc/38/66/52/273386652.db2.gz DQVPXMJXQRGMMC-KRWDZBQOSA-N 2 2 329.448 1.271 20 0 EDADLP CN(C)[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)c1c[nH+]cn1C ZINC000280694553 273386653 /nfs/dbraw/zinc/38/66/53/273386653.db2.gz DQVPXMJXQRGMMC-KRWDZBQOSA-N 2 2 329.448 1.271 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cc(C)n(C)n2)nc[nH+]1 ZINC000282269407 273619279 /nfs/dbraw/zinc/61/92/79/273619279.db2.gz RFFZZGYRMNVXAV-KGLIPLIRSA-N 2 2 329.452 1.880 20 0 EDADLP O=S(=O)(C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1)N1CCCC1 ZINC000282754267 273712729 /nfs/dbraw/zinc/71/27/29/273712729.db2.gz OJEHNVNRPQWSEU-UHFFFAOYSA-N 2 2 348.472 1.724 20 0 EDADLP C[NH2+][C@@H]1CCCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000261792846 273971697 /nfs/dbraw/zinc/97/16/97/273971697.db2.gz QPJZRAZYKIYYFQ-CYBMUJFWSA-N 2 2 337.493 1.361 20 0 EDADLP CC(C)(C)[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000283911970 274007887 /nfs/dbraw/zinc/00/78/87/274007887.db2.gz BWEYZAWNVKUTFC-DLBZAZTESA-N 2 2 333.476 1.767 20 0 EDADLP CC(C)(C)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000283911970 274007888 /nfs/dbraw/zinc/00/78/88/274007888.db2.gz BWEYZAWNVKUTFC-DLBZAZTESA-N 2 2 333.476 1.767 20 0 EDADLP OCC1([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000283946680 274021692 /nfs/dbraw/zinc/02/16/92/274021692.db2.gz DHPDZNWSNIELAZ-SFHVURJKSA-N 2 2 334.460 1.409 20 0 EDADLP OCC1([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000283946680 274021693 /nfs/dbraw/zinc/02/16/93/274021693.db2.gz DHPDZNWSNIELAZ-SFHVURJKSA-N 2 2 334.460 1.409 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423841142 274058396 /nfs/dbraw/zinc/05/83/96/274058396.db2.gz JGCZEBNLFLFGIN-CQSZACIVSA-N 2 2 326.400 1.904 20 0 EDADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284932399 274392213 /nfs/dbraw/zinc/39/22/13/274392213.db2.gz WHHGEHWBRVWCTI-NJAFHUGGSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284932399 274392215 /nfs/dbraw/zinc/39/22/15/274392215.db2.gz WHHGEHWBRVWCTI-NJAFHUGGSA-N 2 2 331.460 1.392 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345081230 276116350 /nfs/dbraw/zinc/11/63/50/276116350.db2.gz NGEFOPVYENNKJM-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP CC1CCC([N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]2CCCO2)CC1 ZINC000093176589 276189776 /nfs/dbraw/zinc/18/97/76/276189776.db2.gz ACYHSNZNJAYTQE-ABHNRTSZSA-N 2 2 337.508 1.820 20 0 EDADLP CC1CCC([N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]2CCCO2)CC1 ZINC000093176589 276189777 /nfs/dbraw/zinc/18/97/77/276189777.db2.gz ACYHSNZNJAYTQE-ABHNRTSZSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSC(F)(F)F)C2)CC1 ZINC000369272858 277027641 /nfs/dbraw/zinc/02/76/41/277027641.db2.gz DDYSNRKPNKDNCU-SNVBAGLBSA-N 2 2 325.400 1.524 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSC(F)(F)F)C2)CC1 ZINC000369272858 277027643 /nfs/dbraw/zinc/02/76/43/277027643.db2.gz DDYSNRKPNKDNCU-SNVBAGLBSA-N 2 2 325.400 1.524 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CSC3(C)C)C2)CC1 ZINC000374686553 277027739 /nfs/dbraw/zinc/02/77/39/277027739.db2.gz NGGZDNZVMMIGCW-TZMCWYRMSA-N 2 2 326.510 1.348 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CSC3(C)C)C2)CC1 ZINC000374686553 277027740 /nfs/dbraw/zinc/02/77/40/277027740.db2.gz NGGZDNZVMMIGCW-TZMCWYRMSA-N 2 2 326.510 1.348 20 0 EDADLP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000338569686 277048213 /nfs/dbraw/zinc/04/82/13/277048213.db2.gz LIOCZGYFGOGPJM-CVEARBPZSA-N 2 2 325.497 1.534 20 0 EDADLP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000338569686 277048215 /nfs/dbraw/zinc/04/82/15/277048215.db2.gz LIOCZGYFGOGPJM-CVEARBPZSA-N 2 2 325.497 1.534 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)CC1 ZINC000372369462 277095353 /nfs/dbraw/zinc/09/53/53/277095353.db2.gz YSVXJNZIULQLNY-AWEZNQCLSA-N 2 2 327.432 1.553 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424141790 278193956 /nfs/dbraw/zinc/19/39/56/278193956.db2.gz XJJQXDRKFINFEY-WBVHZDCISA-N 2 2 325.497 1.901 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246617816 279187864 /nfs/dbraw/zinc/18/78/64/279187864.db2.gz MNYBYSHQJQIBBF-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246617816 279187866 /nfs/dbraw/zinc/18/78/66/279187866.db2.gz MNYBYSHQJQIBBF-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000368376967 279204600 /nfs/dbraw/zinc/20/46/00/279204600.db2.gz MZEDFEUYAKVQRG-RVKKMQEKSA-N 2 2 346.450 1.157 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369258525 279233127 /nfs/dbraw/zinc/23/31/27/279233127.db2.gz WKXQIBMRBIOYMM-TWMKSMIVSA-N 3 2 336.524 1.532 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369258525 279233128 /nfs/dbraw/zinc/23/31/28/279233128.db2.gz WKXQIBMRBIOYMM-TWMKSMIVSA-N 3 2 336.524 1.532 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258525 279233130 /nfs/dbraw/zinc/23/31/30/279233130.db2.gz WKXQIBMRBIOYMM-TWMKSMIVSA-N 3 2 336.524 1.532 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258525 279233132 /nfs/dbraw/zinc/23/31/32/279233132.db2.gz WKXQIBMRBIOYMM-TWMKSMIVSA-N 3 2 336.524 1.532 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)C2)CC1 ZINC000360137168 279371001 /nfs/dbraw/zinc/37/10/01/279371001.db2.gz RYULSCMFVKRWMT-IRXDYDNUSA-N 2 2 339.528 1.137 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C2)CC1 ZINC000360137168 279371002 /nfs/dbraw/zinc/37/10/02/279371002.db2.gz RYULSCMFVKRWMT-IRXDYDNUSA-N 2 2 339.528 1.137 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000366841716 279377446 /nfs/dbraw/zinc/37/74/46/279377446.db2.gz KIVJAPJUXUXLOY-IUODEOHRSA-N 2 2 342.374 1.681 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000366841716 279377447 /nfs/dbraw/zinc/37/74/47/279377447.db2.gz KIVJAPJUXUXLOY-IUODEOHRSA-N 2 2 342.374 1.681 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000287239300 288188793 /nfs/dbraw/zinc/18/87/93/288188793.db2.gz RBEXROPWRQPJBM-GOEBONIOSA-N 2 2 325.416 1.966 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+](CC)CC ZINC000266863052 280667250 /nfs/dbraw/zinc/66/72/50/280667250.db2.gz VHVVAJPVUSGNTK-MOPGFXCFSA-N 2 2 347.503 1.985 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)[C@H](C)C1 ZINC000287776779 288320914 /nfs/dbraw/zinc/32/09/14/288320914.db2.gz IEQPIOJLEORMRL-CYBMUJFWSA-N 2 2 330.432 1.123 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)[C@H](C)C1 ZINC000287776779 288320917 /nfs/dbraw/zinc/32/09/17/288320917.db2.gz IEQPIOJLEORMRL-CYBMUJFWSA-N 2 2 330.432 1.123 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)[C@H](C)C1 ZINC000287776779 288320918 /nfs/dbraw/zinc/32/09/18/288320918.db2.gz IEQPIOJLEORMRL-CYBMUJFWSA-N 2 2 330.432 1.123 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)[C@H](C)C1 ZINC000287776779 288320919 /nfs/dbraw/zinc/32/09/19/288320919.db2.gz IEQPIOJLEORMRL-CYBMUJFWSA-N 2 2 330.432 1.123 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346897951 288342301 /nfs/dbraw/zinc/34/23/01/288342301.db2.gz SICANFFDCCDSTB-AOIWGVFYSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346897951 288342304 /nfs/dbraw/zinc/34/23/04/288342304.db2.gz SICANFFDCCDSTB-AOIWGVFYSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346897951 288342307 /nfs/dbraw/zinc/34/23/07/288342307.db2.gz SICANFFDCCDSTB-AOIWGVFYSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346897951 288342312 /nfs/dbraw/zinc/34/23/12/288342312.db2.gz SICANFFDCCDSTB-AOIWGVFYSA-N 2 2 349.523 1.456 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337824847 282050785 /nfs/dbraw/zinc/05/07/85/282050785.db2.gz WPWNBHWYCCZRKW-ZIAGYGMSSA-N 2 2 348.438 1.472 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000289935276 288806918 /nfs/dbraw/zinc/80/69/18/288806918.db2.gz OOBLBHBXIJCCJP-HZPDHXFCSA-N 2 2 345.491 1.945 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000291275142 289029198 /nfs/dbraw/zinc/02/91/98/289029198.db2.gz LRWCBQADYDBWQR-KDOFPFPSSA-N 2 2 334.439 1.989 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000291275142 289029200 /nfs/dbraw/zinc/02/92/00/289029200.db2.gz LRWCBQADYDBWQR-KDOFPFPSSA-N 2 2 334.439 1.989 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369601659 289332347 /nfs/dbraw/zinc/33/23/47/289332347.db2.gz LUDMWQMOQRJSCR-BARDWOONSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369601659 289332348 /nfs/dbraw/zinc/33/23/48/289332348.db2.gz LUDMWQMOQRJSCR-BARDWOONSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369601659 289332349 /nfs/dbraw/zinc/33/23/49/289332349.db2.gz LUDMWQMOQRJSCR-BARDWOONSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369601659 289332350 /nfs/dbraw/zinc/33/23/50/289332350.db2.gz LUDMWQMOQRJSCR-BARDWOONSA-N 2 2 336.480 1.415 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3CCO[C@@H]3C)CC2)c1 ZINC000292396681 289335091 /nfs/dbraw/zinc/33/50/91/289335091.db2.gz SSRUGMDQNSJMSC-SJLPKXTDSA-N 2 2 331.460 1.406 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359316622 289381380 /nfs/dbraw/zinc/38/13/80/289381380.db2.gz XHAXUCIPKHLNGT-RDBSUJKOSA-N 2 2 331.416 1.326 20 0 EDADLP COC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H]1CCCO1 ZINC000361135257 293147155 /nfs/dbraw/zinc/14/71/55/293147155.db2.gz FQEPBCKOTILJCX-HOTGVXAUSA-N 2 2 328.453 1.188 20 0 EDADLP Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000157325498 294253731 /nfs/dbraw/zinc/25/37/31/294253731.db2.gz NUEAEGSECUQXDY-RDJZCZTQSA-N 2 2 331.464 1.476 20 0 EDADLP Cn1cc(N2CC[C@H]([N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000157325498 294253735 /nfs/dbraw/zinc/25/37/35/294253735.db2.gz NUEAEGSECUQXDY-RDJZCZTQSA-N 2 2 331.464 1.476 20 0 EDADLP COc1ccc([C@@H](NC(=O)NC(C)(C)CC[NH3+])c2[nH+]ccn2C)cc1 ZINC000422594675 295214884 /nfs/dbraw/zinc/21/48/84/295214884.db2.gz SASOHUNRHXMGFX-OAHLLOKOSA-N 2 2 345.447 1.945 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418524343 304508860 /nfs/dbraw/zinc/50/88/60/304508860.db2.gz MTGFJNAFOYZCMM-LLVKDONJSA-N 2 2 332.420 1.730 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418573391 304514455 /nfs/dbraw/zinc/51/44/55/304514455.db2.gz FOQACRCPHIGANL-IAGOWNOFSA-N 2 2 346.475 1.792 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)C(=O)OC)CC2)CC1 ZINC000422008669 447306841 /nfs/dbraw/zinc/30/68/41/447306841.db2.gz AISFJANCDGGXIX-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H](C)C(=O)OC)CC2)CC1 ZINC000422008669 447306846 /nfs/dbraw/zinc/30/68/46/447306846.db2.gz AISFJANCDGGXIX-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000419455929 304618515 /nfs/dbraw/zinc/61/85/15/304618515.db2.gz RAKVEDUSTDDCCD-UHFFFAOYSA-N 2 2 349.479 1.003 20 0 EDADLP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cn1 ZINC000419800396 304685985 /nfs/dbraw/zinc/68/59/85/304685985.db2.gz HZSWEWRRGAVQMO-XJKSGUPXSA-N 2 2 332.452 1.570 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000262631205 301719102 /nfs/dbraw/zinc/71/91/02/301719102.db2.gz HBNAKXKZEIOPHV-AEFFLSMTSA-N 2 2 349.500 1.319 20 0 EDADLP CN(CCCN(C)C(=O)/C=C/c1[nH]cc[nH+]1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493388467 447315273 /nfs/dbraw/zinc/31/52/73/447315273.db2.gz OSHZLAINJXQROF-YDFGWWAZSA-N 2 2 342.403 1.166 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NC[C@H](C)C[NH3+])[NH+]2CCOCC2)c1 ZINC000416995574 302031331 /nfs/dbraw/zinc/03/13/31/302031331.db2.gz LKZWQXYXIYYZPK-WBVHZDCISA-N 2 2 334.464 1.262 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000372865531 447325133 /nfs/dbraw/zinc/32/51/33/447325133.db2.gz ITBHZTRISYLVBD-QGZVFWFLSA-N 2 2 346.475 1.679 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000372865531 447325141 /nfs/dbraw/zinc/32/51/41/447325141.db2.gz ITBHZTRISYLVBD-QGZVFWFLSA-N 2 2 346.475 1.679 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000294277976 303086318 /nfs/dbraw/zinc/08/63/18/303086318.db2.gz UOVJRCUECCORSL-SFHVURJKSA-N 2 2 325.416 1.825 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000294277976 303086319 /nfs/dbraw/zinc/08/63/19/303086319.db2.gz UOVJRCUECCORSL-SFHVURJKSA-N 2 2 325.416 1.825 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnn(C)n3)cc2)CC1 ZINC000294301669 303088848 /nfs/dbraw/zinc/08/88/48/303088848.db2.gz WZGYKCWMCTXJKQ-UHFFFAOYSA-N 2 2 328.464 1.242 20 0 EDADLP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC000294777470 303146193 /nfs/dbraw/zinc/14/61/93/303146193.db2.gz NKIVYEVEAWPJSL-UHFFFAOYSA-N 2 2 345.447 1.583 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000295153023 303181340 /nfs/dbraw/zinc/18/13/40/303181340.db2.gz JTOSTNOGPGIPDL-QAPCUYQASA-N 2 2 332.492 1.385 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000295153023 303181342 /nfs/dbraw/zinc/18/13/42/303181342.db2.gz JTOSTNOGPGIPDL-QAPCUYQASA-N 2 2 332.492 1.385 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+](C2CC2)C1 ZINC000295446059 303220472 /nfs/dbraw/zinc/22/04/72/303220472.db2.gz WEPIFIGFCCHLLR-AWEZNQCLSA-N 2 2 325.416 1.824 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[N@H+](C2CC2)C1 ZINC000295446059 303220473 /nfs/dbraw/zinc/22/04/73/303220473.db2.gz WEPIFIGFCCHLLR-AWEZNQCLSA-N 2 2 325.416 1.824 20 0 EDADLP COC(=O)COC[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000295588797 303238587 /nfs/dbraw/zinc/23/85/87/303238587.db2.gz FANSDOVGUJSMPP-DZGCQCFKSA-N 2 2 336.436 1.212 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000295689569 303252980 /nfs/dbraw/zinc/25/29/80/303252980.db2.gz DEOMSWRXUBOPBY-GJZGRUSLSA-N 2 2 337.464 1.777 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000295689569 303252981 /nfs/dbraw/zinc/25/29/81/303252981.db2.gz DEOMSWRXUBOPBY-GJZGRUSLSA-N 2 2 337.464 1.777 20 0 EDADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295701502 303254746 /nfs/dbraw/zinc/25/47/46/303254746.db2.gz FHVSQFYANQMEBB-LSDHHAIUSA-N 2 2 334.464 1.906 20 0 EDADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295701502 303254748 /nfs/dbraw/zinc/25/47/48/303254748.db2.gz FHVSQFYANQMEBB-LSDHHAIUSA-N 2 2 334.464 1.906 20 0 EDADLP CCn1nc(C)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)n1 ZINC000295954316 303285786 /nfs/dbraw/zinc/28/57/86/303285786.db2.gz HHWRSIWICRVBAH-UHFFFAOYSA-N 2 2 332.452 1.622 20 0 EDADLP O=C(NCC[NH+]1CCC(O)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000296936108 303348535 /nfs/dbraw/zinc/34/85/35/303348535.db2.gz MPWINILWGTVULB-GOSISDBHSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[NH+]1CCC(O)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000296936108 303348536 /nfs/dbraw/zinc/34/85/36/303348536.db2.gz MPWINILWGTVULB-GOSISDBHSA-N 2 2 349.450 1.363 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCOCC1 ZINC000261878667 303447226 /nfs/dbraw/zinc/44/72/26/303447226.db2.gz UJOJZNJHTCTBBO-QGZVFWFLSA-N 2 2 328.416 1.302 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000179246983 303577385 /nfs/dbraw/zinc/57/73/85/303577385.db2.gz QSWQBATUVUVUQE-UHFFFAOYSA-N 2 2 332.448 1.314 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000400179190 303858318 /nfs/dbraw/zinc/85/83/18/303858318.db2.gz OIMUXKGCIIIRCH-DZGCQCFKSA-N 2 2 334.445 1.557 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000422936164 304880485 /nfs/dbraw/zinc/88/04/85/304880485.db2.gz FAVUGPSIUAWIPY-ZACQAIPSSA-N 2 2 347.459 1.330 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)ccc1OCCO ZINC000422972393 304881885 /nfs/dbraw/zinc/88/18/85/304881885.db2.gz LLSSTSYBUMUHDU-YCPHGPKFSA-N 2 2 338.448 1.484 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423411212 304894804 /nfs/dbraw/zinc/89/48/04/304894804.db2.gz TYTKJCCJTDBJJD-BZHVJNSISA-N 2 2 329.213 1.745 20 0 EDADLP COC[C@]1(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC[NH2+]C1 ZINC000423442027 304896492 /nfs/dbraw/zinc/89/64/92/304896492.db2.gz YWXSJWHNHFBLOS-KDOFPFPSSA-N 2 2 328.416 1.676 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000427295767 304988067 /nfs/dbraw/zinc/98/80/67/304988067.db2.gz QDXYMJAYYIJQGL-DOTOQJQBSA-N 2 2 341.521 1.090 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038621 305005073 /nfs/dbraw/zinc/00/50/73/305005073.db2.gz OLHDXJAZUPDWEX-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038621 305005074 /nfs/dbraw/zinc/00/50/74/305005074.db2.gz OLHDXJAZUPDWEX-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c[nH+]1 ZINC000429833402 305038283 /nfs/dbraw/zinc/03/82/83/305038283.db2.gz UAMNAVDSPSUVPZ-KRWDZBQOSA-N 2 2 337.489 1.823 20 0 EDADLP Cc1ccc(CCC[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c[nH+]1 ZINC000429833402 305038284 /nfs/dbraw/zinc/03/82/84/305038284.db2.gz UAMNAVDSPSUVPZ-KRWDZBQOSA-N 2 2 337.489 1.823 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000430632513 305060396 /nfs/dbraw/zinc/06/03/96/305060396.db2.gz XPKSXLLJGBBLPE-GDBMZVCRSA-N 2 2 332.448 1.332 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000430632513 305060397 /nfs/dbraw/zinc/06/03/97/305060397.db2.gz XPKSXLLJGBBLPE-GDBMZVCRSA-N 2 2 332.448 1.332 20 0 EDADLP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000430875080 305066720 /nfs/dbraw/zinc/06/67/20/305066720.db2.gz KYWFRNGEDZJAFH-SJORKVTESA-N 2 2 349.479 1.452 20 0 EDADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000430920807 305068070 /nfs/dbraw/zinc/06/80/70/305068070.db2.gz WLIIUXUTZGVBLQ-UONOGXRCSA-N 2 2 347.459 1.707 20 0 EDADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000430920805 305068161 /nfs/dbraw/zinc/06/81/61/305068161.db2.gz WLIIUXUTZGVBLQ-KBPBESRZSA-N 2 2 347.459 1.707 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430921748 305068311 /nfs/dbraw/zinc/06/83/11/305068311.db2.gz ZKHRTCZFWDIFBK-QAPCUYQASA-N 2 2 333.476 1.974 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430921748 305068312 /nfs/dbraw/zinc/06/83/12/305068312.db2.gz ZKHRTCZFWDIFBK-QAPCUYQASA-N 2 2 333.476 1.974 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000430933702 305069023 /nfs/dbraw/zinc/06/90/23/305069023.db2.gz JIOPCFXYJXZSLY-CQSZACIVSA-N 2 2 341.402 1.788 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000430933702 305069024 /nfs/dbraw/zinc/06/90/24/305069024.db2.gz JIOPCFXYJXZSLY-CQSZACIVSA-N 2 2 341.402 1.788 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000430938309 305069366 /nfs/dbraw/zinc/06/93/66/305069366.db2.gz HPOWADUBAUJZDE-VIFPVBQESA-N 2 2 341.337 1.801 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)C1 ZINC000430938309 305069367 /nfs/dbraw/zinc/06/93/67/305069367.db2.gz HPOWADUBAUJZDE-VIFPVBQESA-N 2 2 341.337 1.801 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000433950504 305115654 /nfs/dbraw/zinc/11/56/54/305115654.db2.gz XNNLVVOBKVCXKE-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP C[NH+](C)CC1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000434085540 305117564 /nfs/dbraw/zinc/11/75/64/305117564.db2.gz SVADZOYFRMYPNA-INIZCTEOSA-N 2 2 333.480 1.606 20 0 EDADLP C[NH+](C)CC1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000434085540 305117565 /nfs/dbraw/zinc/11/75/65/305117565.db2.gz SVADZOYFRMYPNA-INIZCTEOSA-N 2 2 333.480 1.606 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491381 305123354 /nfs/dbraw/zinc/12/33/54/305123354.db2.gz IQNBLHIQHSSNFO-WMZOPIPTSA-N 2 2 328.460 1.599 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491381 305123355 /nfs/dbraw/zinc/12/33/55/305123355.db2.gz IQNBLHIQHSSNFO-WMZOPIPTSA-N 2 2 328.460 1.599 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491381 305123356 /nfs/dbraw/zinc/12/33/56/305123356.db2.gz IQNBLHIQHSSNFO-WMZOPIPTSA-N 2 2 328.460 1.599 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491381 305123357 /nfs/dbraw/zinc/12/33/57/305123357.db2.gz IQNBLHIQHSSNFO-WMZOPIPTSA-N 2 2 328.460 1.599 20 0 EDADLP C[NH+](C)CCC1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434463050 305123404 /nfs/dbraw/zinc/12/34/04/305123404.db2.gz LGCRHCJUAGJACU-UHFFFAOYSA-N 2 2 338.496 1.225 20 0 EDADLP COCCOCC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434501335 305123767 /nfs/dbraw/zinc/12/37/67/305123767.db2.gz GTLWYQJAXGVCQG-OAHLLOKOSA-N 2 2 327.494 1.868 20 0 EDADLP COCCOCC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434501335 305123768 /nfs/dbraw/zinc/12/37/68/305123768.db2.gz GTLWYQJAXGVCQG-OAHLLOKOSA-N 2 2 327.494 1.868 20 0 EDADLP COCCOCC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000434501335 305123769 /nfs/dbraw/zinc/12/37/69/305123769.db2.gz GTLWYQJAXGVCQG-OAHLLOKOSA-N 2 2 327.494 1.868 20 0 EDADLP COCCOCC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000434501335 305123770 /nfs/dbraw/zinc/12/37/70/305123770.db2.gz GTLWYQJAXGVCQG-OAHLLOKOSA-N 2 2 327.494 1.868 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NCC(=O)c1ccccc1 ZINC000435066057 305135869 /nfs/dbraw/zinc/13/58/69/305135869.db2.gz LRGJVQIOSVAIGA-UHFFFAOYSA-N 2 2 326.400 1.519 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC[C@@H]1CCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000435565168 305142414 /nfs/dbraw/zinc/14/24/14/305142414.db2.gz RHPKIYQFGQLPLY-HOTGVXAUSA-N 2 2 346.475 1.850 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000435563530 305142427 /nfs/dbraw/zinc/14/24/27/305142427.db2.gz MLRNGPLGKFVYQV-GJZGRUSLSA-N 2 2 332.448 1.460 20 0 EDADLP CC[C@@H]1CC[C@H](C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)O1 ZINC000435568719 305142561 /nfs/dbraw/zinc/14/25/61/305142561.db2.gz VEPGKCKTZWROHU-OAGGEKHMSA-N 2 2 346.475 1.848 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435611505 305143334 /nfs/dbraw/zinc/14/33/34/305143334.db2.gz BDLGIBDTXYDZLB-QGZVFWFLSA-N 2 2 346.475 1.839 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435611505 305143335 /nfs/dbraw/zinc/14/33/35/305143335.db2.gz BDLGIBDTXYDZLB-QGZVFWFLSA-N 2 2 346.475 1.839 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]CC1 ZINC000435618893 305143591 /nfs/dbraw/zinc/14/35/91/305143591.db2.gz RPVHGHAHEFJKGD-CABCVRRESA-N 2 2 333.432 1.017 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]CC1 ZINC000435618893 305143592 /nfs/dbraw/zinc/14/35/92/305143592.db2.gz RPVHGHAHEFJKGD-CABCVRRESA-N 2 2 333.432 1.017 20 0 EDADLP C[N@H+](CC(=O)NCCc1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435621776 305143713 /nfs/dbraw/zinc/14/37/13/305143713.db2.gz OQJACOKVDAKPOX-CYBMUJFWSA-N 2 2 325.403 1.697 20 0 EDADLP C[N@@H+](CC(=O)NCCc1c(F)cccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435621776 305143714 /nfs/dbraw/zinc/14/37/14/305143714.db2.gz OQJACOKVDAKPOX-CYBMUJFWSA-N 2 2 325.403 1.697 20 0 EDADLP CC[C@@H](C)NC(=O)CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435694554 305145571 /nfs/dbraw/zinc/14/55/71/305145571.db2.gz LWIZRNDARYEBON-CABCVRRESA-N 2 2 333.480 1.279 20 0 EDADLP C[NH2+]CCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000435882589 305148786 /nfs/dbraw/zinc/14/87/86/305148786.db2.gz ZFJQFGCHNJQBKI-AWEZNQCLSA-N 2 2 329.441 1.178 20 0 EDADLP C[NH2+]CCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000435882589 305148787 /nfs/dbraw/zinc/14/87/87/305148787.db2.gz ZFJQFGCHNJQBKI-AWEZNQCLSA-N 2 2 329.441 1.178 20 0 EDADLP CS[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)C[C@@H]1[NH+]1CCCC1 ZINC000436429327 305157191 /nfs/dbraw/zinc/15/71/91/305157191.db2.gz LYJIVHOKUKBKBV-JKSUJKDBSA-N 2 2 333.505 1.481 20 0 EDADLP CS[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)C[C@@H]1[NH+]1CCCC1 ZINC000436429327 305157192 /nfs/dbraw/zinc/15/71/92/305157192.db2.gz LYJIVHOKUKBKBV-JKSUJKDBSA-N 2 2 333.505 1.481 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)n1C ZINC000436481174 305158376 /nfs/dbraw/zinc/15/83/76/305158376.db2.gz RDFANPHRRGFHNU-MRXNPFEDSA-N 2 2 327.432 1.377 20 0 EDADLP CC[NH+](CC)CC1CC[NH+](Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000440708514 305211485 /nfs/dbraw/zinc/21/14/85/305211485.db2.gz FAGMQNQKCKPEDH-UHFFFAOYSA-N 2 2 334.390 1.789 20 0 EDADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444030425 305242911 /nfs/dbraw/zinc/24/29/11/305242911.db2.gz KZKHYQFLSPBPBG-BRWVUGGUSA-N 3 2 338.540 1.732 20 0 EDADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444030425 305242912 /nfs/dbraw/zinc/24/29/12/305242912.db2.gz KZKHYQFLSPBPBG-BRWVUGGUSA-N 3 2 338.540 1.732 20 0 EDADLP CC(C)[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000444748438 305251731 /nfs/dbraw/zinc/25/17/31/305251731.db2.gz JTANKYAIVNZLJR-MRXNPFEDSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000444748438 305251732 /nfs/dbraw/zinc/25/17/32/305251732.db2.gz JTANKYAIVNZLJR-MRXNPFEDSA-N 2 2 325.497 1.581 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000449314091 305311180 /nfs/dbraw/zinc/31/11/80/305311180.db2.gz YTTWKBLMDTTYTO-RHSMWYFYSA-N 2 2 347.459 1.204 20 0 EDADLP COC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCC1 ZINC000449344916 305312015 /nfs/dbraw/zinc/31/20/15/305312015.db2.gz FZOOUDFWNRMXEK-UHFFFAOYSA-N 2 2 325.497 1.332 20 0 EDADLP COC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCC1 ZINC000449344916 305312016 /nfs/dbraw/zinc/31/20/16/305312016.db2.gz FZOOUDFWNRMXEK-UHFFFAOYSA-N 2 2 325.497 1.332 20 0 EDADLP CC1(C)C[N@H+](C[C@H](O)C[NH+]2CC(C)(C)[C@@H]3COC[C@@H]32)[C@@H]2COC[C@@H]21 ZINC000452113362 305383518 /nfs/dbraw/zinc/38/35/18/305383518.db2.gz HKEITGSIOXAJKR-ZUFZQKGWSA-N 2 2 338.492 1.061 20 0 EDADLP CC1(C)C[N@@H+](C[C@H](O)C[NH+]2CC(C)(C)[C@@H]3COC[C@@H]32)[C@@H]2COC[C@@H]21 ZINC000452113362 305383519 /nfs/dbraw/zinc/38/35/19/305383519.db2.gz HKEITGSIOXAJKR-ZUFZQKGWSA-N 2 2 338.492 1.061 20 0 EDADLP CC1(C)C[NH+](C[C@H](O)C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)[C@@H]2COC[C@@H]21 ZINC000452113362 305383520 /nfs/dbraw/zinc/38/35/20/305383520.db2.gz HKEITGSIOXAJKR-ZUFZQKGWSA-N 2 2 338.492 1.061 20 0 EDADLP CC1(C)C[NH+](C[C@H](O)C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)[C@@H]2COC[C@@H]21 ZINC000452113362 305383521 /nfs/dbraw/zinc/38/35/21/305383521.db2.gz HKEITGSIOXAJKR-ZUFZQKGWSA-N 2 2 338.492 1.061 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000514667131 305701289 /nfs/dbraw/zinc/70/12/89/305701289.db2.gz YGCWZLCFTXEAFZ-SMDDNHRTSA-N 2 2 345.896 1.514 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C2 ZINC000521445243 305789590 /nfs/dbraw/zinc/78/95/90/305789590.db2.gz GJYZZRHXLLSAMU-NFAWXSAZSA-N 2 2 334.464 1.030 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000419707772 447362871 /nfs/dbraw/zinc/36/28/71/447362871.db2.gz FZRBSSHOCOCMKL-UONOGXRCSA-N 2 2 341.459 1.942 20 0 EDADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000419707771 447363111 /nfs/dbraw/zinc/36/31/11/447363111.db2.gz FZRBSSHOCOCMKL-KGLIPLIRSA-N 2 2 341.459 1.942 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+](C)C2CC2)[C@H](C)CO1 ZINC000665080504 453568887 /nfs/dbraw/zinc/56/88/87/453568887.db2.gz YVQXTEKVBCSCDF-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+](C)C2CC2)[C@H](C)CO1 ZINC000665080504 453568889 /nfs/dbraw/zinc/56/88/89/453568889.db2.gz YVQXTEKVBCSCDF-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCCC[N@H+](C)C2CC2)[C@H](C)CO1 ZINC000665080504 453568893 /nfs/dbraw/zinc/56/88/93/453568893.db2.gz YVQXTEKVBCSCDF-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCCC[N@@H+](C)C2CC2)[C@H](C)CO1 ZINC000665080504 453568898 /nfs/dbraw/zinc/56/88/98/453568898.db2.gz YVQXTEKVBCSCDF-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000535313318 306012652 /nfs/dbraw/zinc/01/26/52/306012652.db2.gz KVUPEAXNQHSNDO-INIZCTEOSA-N 2 2 337.427 1.846 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000535313318 306012653 /nfs/dbraw/zinc/01/26/53/306012653.db2.gz KVUPEAXNQHSNDO-INIZCTEOSA-N 2 2 337.427 1.846 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000536543184 306022100 /nfs/dbraw/zinc/02/21/00/306022100.db2.gz WGPGCGUKIJOTRG-BZUAXINKSA-N 2 2 341.521 1.183 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000536543184 306022101 /nfs/dbraw/zinc/02/21/01/306022101.db2.gz WGPGCGUKIJOTRG-BZUAXINKSA-N 2 2 341.521 1.183 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000537162588 306026526 /nfs/dbraw/zinc/02/65/26/306026526.db2.gz MARUONDQMQYXSE-GFCCVEGCSA-N 2 2 331.395 1.960 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000537162588 306026527 /nfs/dbraw/zinc/02/65/27/306026527.db2.gz MARUONDQMQYXSE-GFCCVEGCSA-N 2 2 331.395 1.960 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000547953729 306115835 /nfs/dbraw/zinc/11/58/35/306115835.db2.gz HETHZZTYRJUUJZ-GDBMZVCRSA-N 2 2 325.416 1.684 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000547953729 306115836 /nfs/dbraw/zinc/11/58/36/306115836.db2.gz HETHZZTYRJUUJZ-GDBMZVCRSA-N 2 2 325.416 1.684 20 0 EDADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000551006371 306155411 /nfs/dbraw/zinc/15/54/11/306155411.db2.gz RWBYDXOMPBJTHO-YOEHRIQHSA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000551006371 306155412 /nfs/dbraw/zinc/15/54/12/306155412.db2.gz RWBYDXOMPBJTHO-YOEHRIQHSA-N 2 2 337.489 1.785 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNc2nc(NCC)[nH+]c(NC(C)(C)C)n2)C1 ZINC000553331173 306184151 /nfs/dbraw/zinc/18/41/51/306184151.db2.gz YOPIWXVTUCOFLW-CYBMUJFWSA-N 2 2 335.500 1.501 20 0 EDADLP CCC[N@H+]1CC[C@H](CNc2nc(NCC)[nH+]c(NC(C)(C)C)n2)C1 ZINC000553331173 306184152 /nfs/dbraw/zinc/18/41/52/306184152.db2.gz YOPIWXVTUCOFLW-CYBMUJFWSA-N 2 2 335.500 1.501 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNc2nc(NC(C)(C)C)nc(NCC)[nH+]2)C1 ZINC000553331173 306184153 /nfs/dbraw/zinc/18/41/53/306184153.db2.gz YOPIWXVTUCOFLW-CYBMUJFWSA-N 2 2 335.500 1.501 20 0 EDADLP CCC[N@H+]1CC[C@H](CNc2nc(NC(C)(C)C)nc(NCC)[nH+]2)C1 ZINC000553331173 306184154 /nfs/dbraw/zinc/18/41/54/306184154.db2.gz YOPIWXVTUCOFLW-CYBMUJFWSA-N 2 2 335.500 1.501 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNc2nc(NCC)nc(NC(C)(C)C)[nH+]2)C1 ZINC000553331173 306184155 /nfs/dbraw/zinc/18/41/55/306184155.db2.gz YOPIWXVTUCOFLW-CYBMUJFWSA-N 2 2 335.500 1.501 20 0 EDADLP CCC[N@H+]1CC[C@H](CNc2nc(NCC)nc(NC(C)(C)C)[nH+]2)C1 ZINC000553331173 306184156 /nfs/dbraw/zinc/18/41/56/306184156.db2.gz YOPIWXVTUCOFLW-CYBMUJFWSA-N 2 2 335.500 1.501 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)n1C ZINC000557282300 306227413 /nfs/dbraw/zinc/22/74/13/306227413.db2.gz JCDVANBJVSSRTK-HNNXBMFYSA-N 2 2 342.447 1.882 20 0 EDADLP CC1(C)C[NH+](CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000557564959 306229319 /nfs/dbraw/zinc/22/93/19/306229319.db2.gz LQIDYUADVDOZQW-MRXNPFEDSA-N 2 2 344.459 1.417 20 0 EDADLP CC1(C)C[NH+](CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1 ZINC000557564959 306229320 /nfs/dbraw/zinc/22/93/20/306229320.db2.gz LQIDYUADVDOZQW-MRXNPFEDSA-N 2 2 344.459 1.417 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn4cccnc4n3)C2)CC1 ZINC000377832348 447375337 /nfs/dbraw/zinc/37/53/37/447375337.db2.gz RFMBOQFJPOGWEO-QGZVFWFLSA-N 2 2 328.464 1.330 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn4cccnc4n3)C2)CC1 ZINC000377832348 447375340 /nfs/dbraw/zinc/37/53/40/447375340.db2.gz RFMBOQFJPOGWEO-QGZVFWFLSA-N 2 2 328.464 1.330 20 0 EDADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414971677 447380564 /nfs/dbraw/zinc/38/05/64/447380564.db2.gz IQUIFUQCGUDGKY-GOSISDBHSA-N 2 2 326.444 1.750 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000426027174 447381162 /nfs/dbraw/zinc/38/11/62/447381162.db2.gz GKZAUNPNUSCPOC-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000426027174 447381168 /nfs/dbraw/zinc/38/11/68/447381168.db2.gz GKZAUNPNUSCPOC-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c2[nH+]ccn21 ZINC000456391958 447385350 /nfs/dbraw/zinc/38/53/50/447385350.db2.gz QWWNSNPIJPLOND-UKRRQHHQSA-N 2 2 340.431 1.466 20 0 EDADLP CCCc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657093257 453677072 /nfs/dbraw/zinc/67/70/72/453677072.db2.gz UDPQFUCGNHHORP-UHFFFAOYSA-N 2 2 341.521 1.801 20 0 EDADLP CCCc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657093257 453677076 /nfs/dbraw/zinc/67/70/76/453677076.db2.gz UDPQFUCGNHHORP-UHFFFAOYSA-N 2 2 341.521 1.801 20 0 EDADLP Cc1cc(NC(=O)CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)on1 ZINC000378369394 447422175 /nfs/dbraw/zinc/42/21/75/447422175.db2.gz KNOCXYZNOWDPQG-CQSZACIVSA-N 2 2 335.452 1.022 20 0 EDADLP Cc1cc(NC(=O)CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)on1 ZINC000378369394 447422178 /nfs/dbraw/zinc/42/21/78/447422178.db2.gz KNOCXYZNOWDPQG-CQSZACIVSA-N 2 2 335.452 1.022 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)OC[C@@H]3C)CC2)c1 ZINC000045785862 441036494 /nfs/dbraw/zinc/03/64/94/441036494.db2.gz YZCUUHOUVFTPIU-ZWKOTPCHSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)OC[C@@H]3C)CC2)c1 ZINC000045785862 441036499 /nfs/dbraw/zinc/03/64/99/441036499.db2.gz YZCUUHOUVFTPIU-ZWKOTPCHSA-N 2 2 345.487 1.748 20 0 EDADLP CC(=O)c1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000104102576 441190499 /nfs/dbraw/zinc/19/04/99/441190499.db2.gz ZPOXGSPLPVHUHI-UHFFFAOYSA-N 2 2 341.477 1.003 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080536841 441178053 /nfs/dbraw/zinc/17/80/53/441178053.db2.gz DMGVHVYMZKZCSJ-IRXDYDNUSA-N 2 2 344.459 1.409 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080536841 441178059 /nfs/dbraw/zinc/17/80/59/441178059.db2.gz DMGVHVYMZKZCSJ-IRXDYDNUSA-N 2 2 344.459 1.409 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000105080217 441230701 /nfs/dbraw/zinc/23/07/01/441230701.db2.gz UIAPHIUFYQFMAW-HNNXBMFYSA-N 2 2 333.480 1.810 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000105080217 441230707 /nfs/dbraw/zinc/23/07/07/441230707.db2.gz UIAPHIUFYQFMAW-HNNXBMFYSA-N 2 2 333.480 1.810 20 0 EDADLP CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000105104370 441232997 /nfs/dbraw/zinc/23/29/97/441232997.db2.gz BYUIWIWSPBXHPF-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105127251 441236205 /nfs/dbraw/zinc/23/62/05/441236205.db2.gz QNWNCBSHMIKNAE-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000047980093 441245283 /nfs/dbraw/zinc/24/52/83/441245283.db2.gz XUUIGJTUCSOWLL-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP O=C(C[NH+]1CCSCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000047988600 441246026 /nfs/dbraw/zinc/24/60/26/441246026.db2.gz GWCHVLDIGBAELQ-UHFFFAOYSA-N 2 2 349.500 1.184 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000072851113 441269412 /nfs/dbraw/zinc/26/94/12/441269412.db2.gz MVBWJVJNUJBOQY-CYBMUJFWSA-N 2 2 329.404 1.267 20 0 EDADLP CN(CC1CC[NH+](C)CC1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000105789642 441270211 /nfs/dbraw/zinc/27/02/11/441270211.db2.gz NJESIUHLWDNUGW-INIZCTEOSA-N 2 2 333.480 1.463 20 0 EDADLP CN(CC1CC[NH+](C)CC1)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000105789642 441270213 /nfs/dbraw/zinc/27/02/13/441270213.db2.gz NJESIUHLWDNUGW-INIZCTEOSA-N 2 2 333.480 1.463 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000072956717 441279374 /nfs/dbraw/zinc/27/93/74/441279374.db2.gz QNUJPPAOLAKKSG-MRXNPFEDSA-N 2 2 346.475 1.443 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000073044747 441288628 /nfs/dbraw/zinc/28/86/28/441288628.db2.gz UBRLREDFMSKUJN-MRXNPFEDSA-N 2 2 334.464 1.645 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105214830 441243406 /nfs/dbraw/zinc/24/34/06/441243406.db2.gz VLTFZEVERMSLMA-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105214830 441243409 /nfs/dbraw/zinc/24/34/09/441243409.db2.gz VLTFZEVERMSLMA-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP CC(C)[C@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000106458560 441345661 /nfs/dbraw/zinc/34/56/61/441345661.db2.gz IUBFRTXTOULSAM-WMLDXEAASA-N 2 2 334.464 1.509 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)NCc2ccc[nH+]c2N(C)C)C[C@H](C)O1 ZINC000048456730 441307696 /nfs/dbraw/zinc/30/76/96/441307696.db2.gz UWBLZKXGSGAZIK-GJZGRUSLSA-N 2 2 349.479 1.446 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000106518016 441349596 /nfs/dbraw/zinc/34/95/96/441349596.db2.gz GOJGIERGKLLOKU-INIZCTEOSA-N 2 2 339.528 1.186 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106583506 441360701 /nfs/dbraw/zinc/36/07/01/441360701.db2.gz ZDCLZRQHEYQKJQ-CABCVRRESA-N 2 2 334.468 1.282 20 0 EDADLP CNC(=O)C1CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051505587 441413959 /nfs/dbraw/zinc/41/39/59/441413959.db2.gz WFJACXYGBMMDSZ-MRXNPFEDSA-N 2 2 344.459 1.472 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000051998018 441431160 /nfs/dbraw/zinc/43/11/60/441431160.db2.gz KONOOWMBSMUEHU-UHFFFAOYSA-N 2 2 338.455 1.905 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000051998018 441431164 /nfs/dbraw/zinc/43/11/64/441431164.db2.gz KONOOWMBSMUEHU-UHFFFAOYSA-N 2 2 338.455 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000085456254 441441580 /nfs/dbraw/zinc/44/15/80/441441580.db2.gz ACSYHLOMZSJBCZ-GASCZTMLSA-N 2 2 330.432 1.954 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000085456254 441441583 /nfs/dbraw/zinc/44/15/83/441441583.db2.gz ACSYHLOMZSJBCZ-GASCZTMLSA-N 2 2 330.432 1.954 20 0 EDADLP CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000027337646 441399913 /nfs/dbraw/zinc/39/99/13/441399913.db2.gz KXNXBSUPKXTTEO-UHFFFAOYSA-N 2 2 347.463 1.202 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000089153735 441527040 /nfs/dbraw/zinc/52/70/40/441527040.db2.gz KCHKXYJGSJURTD-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000089153735 441527043 /nfs/dbraw/zinc/52/70/43/441527043.db2.gz KCHKXYJGSJURTD-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000076072831 441593203 /nfs/dbraw/zinc/59/32/03/441593203.db2.gz WGXJRHVJTKSURA-UHFFFAOYSA-N 2 2 347.385 1.977 20 0 EDADLP C[C@H](O)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000089928663 441597993 /nfs/dbraw/zinc/59/79/93/441597993.db2.gz PDUZJSLFIPRAMR-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000089928663 441597994 /nfs/dbraw/zinc/59/79/94/441597994.db2.gz PDUZJSLFIPRAMR-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](CCN1CCOCC1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090046932 441617294 /nfs/dbraw/zinc/61/72/94/441617294.db2.gz YZCYTYMATFJMKK-KRWDZBQOSA-N 2 2 332.492 1.746 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000114478057 441661862 /nfs/dbraw/zinc/66/18/62/441661862.db2.gz CEMNYHIGVUDHCH-BZUAXINKSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000114478057 441661867 /nfs/dbraw/zinc/66/18/67/441661867.db2.gz CEMNYHIGVUDHCH-BZUAXINKSA-N 2 2 339.480 1.060 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000114819224 441686105 /nfs/dbraw/zinc/68/61/05/441686105.db2.gz XFCYFCHPKKHMGG-OAHLLOKOSA-N 2 2 331.464 1.564 20 0 EDADLP Cc1cc(N2CCN(c3[nH+]ccn3C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000077209560 441733220 /nfs/dbraw/zinc/73/32/20/441733220.db2.gz GUGMYNVDHQLBRD-UHFFFAOYSA-N 2 2 335.415 1.907 20 0 EDADLP CC[NH+](CC)CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000042504456 441743791 /nfs/dbraw/zinc/74/37/91/441743791.db2.gz TZCMPXUIYPVCQN-UHFFFAOYSA-N 2 2 346.475 1.548 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)C2 ZINC000136786934 441724687 /nfs/dbraw/zinc/72/46/87/441724687.db2.gz PWJBYSGCIXIKFW-OAHLLOKOSA-N 2 2 343.431 1.272 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2cc[nH+]cc2C)CC1 ZINC000121770683 441777570 /nfs/dbraw/zinc/77/75/70/441777570.db2.gz WDQSDHJTDMAGLK-UHFFFAOYSA-N 2 2 333.436 1.502 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCC[N@@H+]3C)c[nH+]2)CCO1 ZINC000139539856 441820675 /nfs/dbraw/zinc/82/06/75/441820675.db2.gz VROLRUQEOSWRAX-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCC[N@H+]3C)c[nH+]2)CCO1 ZINC000139539856 441820682 /nfs/dbraw/zinc/82/06/82/441820682.db2.gz VROLRUQEOSWRAX-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP O=C(NCCn1cc[nH+]c1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159177054 441793433 /nfs/dbraw/zinc/79/34/33/441793433.db2.gz IVTMGBWFBZRIGX-UHFFFAOYSA-N 2 2 340.387 1.980 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000173642233 441811362 /nfs/dbraw/zinc/81/13/62/441811362.db2.gz IDZZULBDAVWXRH-GFCCVEGCSA-N 2 2 340.855 1.762 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000173640489 441812300 /nfs/dbraw/zinc/81/23/00/441812300.db2.gz ACYZKGWFTNLTPC-AWEZNQCLSA-N 2 2 337.468 1.491 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173648048 441814951 /nfs/dbraw/zinc/81/49/51/441814951.db2.gz ICVBLOREWKMUON-MRXNPFEDSA-N 2 2 325.416 1.533 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000173896981 441857519 /nfs/dbraw/zinc/85/75/19/441857519.db2.gz FBNFIZNXOSZPJT-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1 ZINC000173896981 441857527 /nfs/dbraw/zinc/85/75/27/441857527.db2.gz FBNFIZNXOSZPJT-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CCOc1cccc(CNC(=O)C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000173896981 441857531 /nfs/dbraw/zinc/85/75/31/441857531.db2.gz FBNFIZNXOSZPJT-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CCOc1cccc(CNC(=O)C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c1 ZINC000173896981 441857537 /nfs/dbraw/zinc/85/75/37/441857537.db2.gz FBNFIZNXOSZPJT-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000173788885 441841010 /nfs/dbraw/zinc/84/10/10/441841010.db2.gz MDHNZGLCMIYTTJ-KRWDZBQOSA-N 2 2 346.475 1.676 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000173788885 441841017 /nfs/dbraw/zinc/84/10/17/441841017.db2.gz MDHNZGLCMIYTTJ-KRWDZBQOSA-N 2 2 346.475 1.676 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC(=O)NCc1cccs1 ZINC000124343232 441919941 /nfs/dbraw/zinc/91/99/41/441919941.db2.gz OCVZMHBRZOUDSC-UHFFFAOYSA-N 2 2 335.433 1.293 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC(=O)NCc1cccs1 ZINC000124343232 441919946 /nfs/dbraw/zinc/91/99/46/441919946.db2.gz OCVZMHBRZOUDSC-UHFFFAOYSA-N 2 2 335.433 1.293 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000077986689 441892547 /nfs/dbraw/zinc/89/25/47/441892547.db2.gz ULOCMMACVOMKEI-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000077986689 441892552 /nfs/dbraw/zinc/89/25/52/441892552.db2.gz ULOCMMACVOMKEI-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077986689 441892557 /nfs/dbraw/zinc/89/25/57/441892557.db2.gz ULOCMMACVOMKEI-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077986689 441892561 /nfs/dbraw/zinc/89/25/61/441892561.db2.gz ULOCMMACVOMKEI-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721467 441959691 /nfs/dbraw/zinc/95/96/91/441959691.db2.gz QWWGIUUSZMHYFI-SFHVURJKSA-N 2 2 332.492 1.385 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000175018888 441995152 /nfs/dbraw/zinc/99/51/52/441995152.db2.gz QWMLCDBCHNMLBZ-KRWDZBQOSA-N 2 2 325.497 1.865 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000174895964 441979863 /nfs/dbraw/zinc/97/98/63/441979863.db2.gz HCSGHPCDQKTZLP-HNNXBMFYSA-N 2 2 345.447 1.932 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000174895964 441979868 /nfs/dbraw/zinc/97/98/68/441979868.db2.gz HCSGHPCDQKTZLP-HNNXBMFYSA-N 2 2 345.447 1.932 20 0 EDADLP COCc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)o1 ZINC000126211941 442089876 /nfs/dbraw/zinc/08/98/76/442089876.db2.gz FZDWJXGXCCLAKJ-UHFFFAOYSA-N 2 2 330.432 1.863 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000151432827 442061146 /nfs/dbraw/zinc/06/11/46/442061146.db2.gz QNEIFQJADVUBFH-ZBFHGGJFSA-N 2 2 325.478 1.351 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000151432827 442061152 /nfs/dbraw/zinc/06/11/52/442061152.db2.gz QNEIFQJADVUBFH-ZBFHGGJFSA-N 2 2 325.478 1.351 20 0 EDADLP CC[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C1CC1 ZINC000151460082 442066143 /nfs/dbraw/zinc/06/61/43/442066143.db2.gz XWASZKYEMUQMGR-GASCZTMLSA-N 2 2 346.475 1.796 20 0 EDADLP CC[N@@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)C1CC1 ZINC000151460082 442066144 /nfs/dbraw/zinc/06/61/44/442066144.db2.gz XWASZKYEMUQMGR-GASCZTMLSA-N 2 2 346.475 1.796 20 0 EDADLP COCCN1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000126050626 442072489 /nfs/dbraw/zinc/07/24/89/442072489.db2.gz JINKUQHPFPCOQW-UHFFFAOYSA-N 2 2 347.503 1.925 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cn2c1 ZINC000162266251 442078576 /nfs/dbraw/zinc/07/85/76/442078576.db2.gz LSEWTKKIPKCORH-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cn2c1 ZINC000162266251 442078577 /nfs/dbraw/zinc/07/85/77/442078577.db2.gz LSEWTKKIPKCORH-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP COc1cccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175525115 442080456 /nfs/dbraw/zinc/08/04/56/442080456.db2.gz PCJUBDLOXJVOPN-UHFFFAOYSA-N 2 2 334.464 1.520 20 0 EDADLP Cc1[nH+]c2ccccn2c1CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162367089 442087319 /nfs/dbraw/zinc/08/73/19/442087319.db2.gz YKFPERZTBMKIQJ-MRXNPFEDSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1[nH+]c2ccccn2c1CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162367089 442087322 /nfs/dbraw/zinc/08/73/22/442087322.db2.gz YKFPERZTBMKIQJ-MRXNPFEDSA-N 2 2 341.459 1.381 20 0 EDADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000126694106 442134984 /nfs/dbraw/zinc/13/49/84/442134984.db2.gz VVABPGOLJRBUCW-SZMVWBNQSA-N 2 2 330.476 1.893 20 0 EDADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000126694106 442134985 /nfs/dbraw/zinc/13/49/85/442134985.db2.gz VVABPGOLJRBUCW-SZMVWBNQSA-N 2 2 330.476 1.893 20 0 EDADLP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[NH+](CCO)CC1 ZINC000096626805 442147575 /nfs/dbraw/zinc/14/75/75/442147575.db2.gz DPILYEPNMFLYLE-KRWDZBQOSA-N 2 2 349.450 1.174 20 0 EDADLP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+](CCO)CC1 ZINC000096626805 442147578 /nfs/dbraw/zinc/14/75/78/442147578.db2.gz DPILYEPNMFLYLE-KRWDZBQOSA-N 2 2 349.450 1.174 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000162516344 442099577 /nfs/dbraw/zinc/09/95/77/442099577.db2.gz UCUWMVJWLJWVQY-SFHVURJKSA-N 2 2 331.460 1.694 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000162516344 442099582 /nfs/dbraw/zinc/09/95/82/442099582.db2.gz UCUWMVJWLJWVQY-SFHVURJKSA-N 2 2 331.460 1.694 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)CCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000170693815 442249855 /nfs/dbraw/zinc/24/98/55/442249855.db2.gz VXKQWDNFQJDEKV-IAGOWNOFSA-N 2 2 341.496 1.104 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3ccc(F)cc32)CC1 ZINC000176747035 442253281 /nfs/dbraw/zinc/25/32/81/442253281.db2.gz SWVNQUPADOBKLL-UHFFFAOYSA-N 2 2 334.439 1.924 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)s1 ZINC000167354787 442220418 /nfs/dbraw/zinc/22/04/18/442220418.db2.gz MFXXQMFFGVQFLM-CQSZACIVSA-N 2 2 325.503 1.617 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000153454975 442283742 /nfs/dbraw/zinc/28/37/42/442283742.db2.gz OAECMEWCAYKRRJ-UHFFFAOYSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000153454975 442283744 /nfs/dbraw/zinc/28/37/44/442283744.db2.gz OAECMEWCAYKRRJ-UHFFFAOYSA-N 2 2 339.480 1.206 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCSC1 ZINC000153754282 442300723 /nfs/dbraw/zinc/30/07/23/442300723.db2.gz AOPNYJSGLPNZDX-INIZCTEOSA-N 2 2 334.489 1.163 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCSC1 ZINC000153754282 442300726 /nfs/dbraw/zinc/30/07/26/442300726.db2.gz AOPNYJSGLPNZDX-INIZCTEOSA-N 2 2 334.489 1.163 20 0 EDADLP Cc1cccc(C)c1NCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177130011 442301865 /nfs/dbraw/zinc/30/18/65/442301865.db2.gz XJADSDMTRJOSKP-UHFFFAOYSA-N 2 2 332.492 1.858 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129146776 442303582 /nfs/dbraw/zinc/30/35/82/442303582.db2.gz HGGYXJJZQHEVCL-DOTOQJQBSA-N 2 2 349.450 1.485 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129146776 442303584 /nfs/dbraw/zinc/30/35/84/442303584.db2.gz HGGYXJJZQHEVCL-DOTOQJQBSA-N 2 2 349.450 1.485 20 0 EDADLP COc1ccc(OCCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177142588 442304109 /nfs/dbraw/zinc/30/41/09/442304109.db2.gz ZYESIVQEHSXRKE-UHFFFAOYSA-N 2 2 349.475 1.606 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000171201968 442327092 /nfs/dbraw/zinc/32/70/92/442327092.db2.gz BJXXKNDBRRMUGM-UHFFFAOYSA-N 2 2 349.410 1.389 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000171201968 442327095 /nfs/dbraw/zinc/32/70/95/442327095.db2.gz BJXXKNDBRRMUGM-UHFFFAOYSA-N 2 2 349.410 1.389 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000177330028 442329089 /nfs/dbraw/zinc/32/90/89/442329089.db2.gz NZCPXMVOABJBIM-GOEBONIOSA-N 2 2 331.464 1.670 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177384017 442335025 /nfs/dbraw/zinc/33/50/25/442335025.db2.gz UNNLPMXCSXVPAY-IBGZPJMESA-N 2 2 346.519 1.774 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177384017 442335027 /nfs/dbraw/zinc/33/50/27/442335027.db2.gz UNNLPMXCSXVPAY-IBGZPJMESA-N 2 2 346.519 1.774 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177384017 442335030 /nfs/dbraw/zinc/33/50/30/442335030.db2.gz UNNLPMXCSXVPAY-IBGZPJMESA-N 2 2 346.519 1.774 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177384017 442335032 /nfs/dbraw/zinc/33/50/32/442335032.db2.gz UNNLPMXCSXVPAY-IBGZPJMESA-N 2 2 346.519 1.774 20 0 EDADLP C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[NH+](C)CC1 ZINC000130572940 442350439 /nfs/dbraw/zinc/35/04/39/442350439.db2.gz ZOIJLIFPQKLRCN-CQSZACIVSA-N 2 2 345.422 1.264 20 0 EDADLP C[N@H+](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCSC1 ZINC000153919407 442310534 /nfs/dbraw/zinc/31/05/34/442310534.db2.gz GRYJELOOKVBEKF-HNNXBMFYSA-N 2 2 334.489 1.735 20 0 EDADLP C[N@@H+](CC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCSC1 ZINC000153919407 442310536 /nfs/dbraw/zinc/31/05/36/442310536.db2.gz GRYJELOOKVBEKF-HNNXBMFYSA-N 2 2 334.489 1.735 20 0 EDADLP C[C@H](c1nc(N)nc(N(C)C)n1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171671648 442368500 /nfs/dbraw/zinc/36/85/00/442368500.db2.gz HWAACFNIPABXDH-CYBMUJFWSA-N 2 2 333.484 1.389 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)o1 ZINC000171612979 442362477 /nfs/dbraw/zinc/36/24/77/442362477.db2.gz QUHYGHVZSHOROQ-UHFFFAOYSA-N 2 2 331.372 1.792 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172149285 442415915 /nfs/dbraw/zinc/41/59/15/442415915.db2.gz PXNPGWGMDWQPLV-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172149285 442415918 /nfs/dbraw/zinc/41/59/18/442415918.db2.gz PXNPGWGMDWQPLV-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000172149285 442415920 /nfs/dbraw/zinc/41/59/20/442415920.db2.gz PXNPGWGMDWQPLV-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000172149285 442415925 /nfs/dbraw/zinc/41/59/25/442415925.db2.gz PXNPGWGMDWQPLV-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[NH+](C)C)c1 ZINC000155785360 442427428 /nfs/dbraw/zinc/42/74/28/442427428.db2.gz JWWAHAKNLREXPT-RDJZCZTQSA-N 2 2 342.443 1.873 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000155881477 442434218 /nfs/dbraw/zinc/43/42/18/442434218.db2.gz FJDLTHPKIZHQME-GOSISDBHSA-N 2 2 338.455 1.832 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C3CC[NH2+]CC3)CC2)cc(OC)c1 ZINC000178852342 442502766 /nfs/dbraw/zinc/50/27/66/442502766.db2.gz LGJWZSXJYLPZKX-UHFFFAOYSA-N 2 2 347.459 1.348 20 0 EDADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)CC1 ZINC000178852012 442502829 /nfs/dbraw/zinc/50/28/29/442502829.db2.gz YRJPIJOMADXQPL-VQIMIIECSA-N 2 2 344.503 1.561 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC([NH+](C)C)CC1 ZINC000178707468 442459490 /nfs/dbraw/zinc/45/94/90/442459490.db2.gz GSGKVIOQTDVNLL-INIZCTEOSA-N 2 2 345.491 1.145 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)cn21 ZINC000186133385 442469188 /nfs/dbraw/zinc/46/91/88/442469188.db2.gz YUMNFYUBSQLMPR-HUUCEWRRSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)cn21 ZINC000186133385 442469191 /nfs/dbraw/zinc/46/91/91/442469191.db2.gz YUMNFYUBSQLMPR-HUUCEWRRSA-N 2 2 345.447 1.239 20 0 EDADLP CCOC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000186453469 442537890 /nfs/dbraw/zinc/53/78/90/442537890.db2.gz YPFTYDPZGUCGQW-KRWDZBQOSA-N 2 2 332.448 1.866 20 0 EDADLP CCc1ccnc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000180109941 442543197 /nfs/dbraw/zinc/54/31/97/442543197.db2.gz JHQVDNLWKOKQED-UHFFFAOYSA-N 2 2 330.476 1.932 20 0 EDADLP CC(C)N1CCO[C@H](C[NH+]2CCN(CCC[NH+]3CCCC3)CC2)C1 ZINC000179188362 442594061 /nfs/dbraw/zinc/59/40/61/442594061.db2.gz NXGLSGJRWQPEEK-LJQANCHMSA-N 2 2 338.540 1.199 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000192109729 442594901 /nfs/dbraw/zinc/59/49/01/442594901.db2.gz VOLKHWJHEAXOCB-IXDOHACOSA-N 2 2 333.476 1.719 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC2)cc(OC)c1 ZINC000192123534 442597928 /nfs/dbraw/zinc/59/79/28/442597928.db2.gz RWFFTFUKUKIQBY-KGLIPLIRSA-N 2 2 335.448 1.331 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000179246442 442604695 /nfs/dbraw/zinc/60/46/95/442604695.db2.gz SZAWVXWYWKMZBQ-LJQANCHMSA-N 2 2 345.487 1.956 20 0 EDADLP C[C@]([NH3+])(C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000192527366 442658114 /nfs/dbraw/zinc/65/81/14/442658114.db2.gz XODFBJHNRMPJGP-HXUWFJFHSA-N 2 2 339.439 1.911 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186946494 442634827 /nfs/dbraw/zinc/63/48/27/442634827.db2.gz CCCSLRMRVUDULG-CQSZACIVSA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186946494 442634831 /nfs/dbraw/zinc/63/48/31/442634831.db2.gz CCCSLRMRVUDULG-CQSZACIVSA-N 2 2 344.459 1.648 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[N@@H+](C)C(C)C)cc2)CC1 ZINC000181361603 442692623 /nfs/dbraw/zinc/69/26/23/442692623.db2.gz HJIZETVZPJDZDZ-UHFFFAOYSA-N 2 2 346.475 1.629 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[N@H+](C)C(C)C)cc2)CC1 ZINC000181361603 442692625 /nfs/dbraw/zinc/69/26/25/442692625.db2.gz HJIZETVZPJDZDZ-UHFFFAOYSA-N 2 2 346.475 1.629 20 0 EDADLP Cn1c(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)nnc1C1CCC1 ZINC000181508727 442700700 /nfs/dbraw/zinc/70/07/00/442700700.db2.gz VFSMLEMYEXDNKL-KRWDZBQOSA-N 2 2 346.523 1.685 20 0 EDADLP Cn1c(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)nnc1C1CCC1 ZINC000181508727 442700703 /nfs/dbraw/zinc/70/07/03/442700703.db2.gz VFSMLEMYEXDNKL-KRWDZBQOSA-N 2 2 346.523 1.685 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2[nH+]ccn2c1 ZINC000265517351 442805317 /nfs/dbraw/zinc/80/53/17/442805317.db2.gz LPBQZYIXMZDVLY-CQSZACIVSA-N 2 2 328.416 1.565 20 0 EDADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604595 442758406 /nfs/dbraw/zinc/75/84/06/442758406.db2.gz ZSURHSIVEJVYPN-BETUJISGSA-N 2 2 339.842 1.931 20 0 EDADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193604595 442758408 /nfs/dbraw/zinc/75/84/08/442758408.db2.gz ZSURHSIVEJVYPN-BETUJISGSA-N 2 2 339.842 1.931 20 0 EDADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193604595 442758409 /nfs/dbraw/zinc/75/84/09/442758409.db2.gz ZSURHSIVEJVYPN-BETUJISGSA-N 2 2 339.842 1.931 20 0 EDADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193604595 442758411 /nfs/dbraw/zinc/75/84/11/442758411.db2.gz ZSURHSIVEJVYPN-BETUJISGSA-N 2 2 339.842 1.931 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193609433 442759426 /nfs/dbraw/zinc/75/94/26/442759426.db2.gz QDOIOMIPTVMNMH-OKZBNKHCSA-N 2 2 342.487 1.217 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193609433 442759428 /nfs/dbraw/zinc/75/94/28/442759428.db2.gz QDOIOMIPTVMNMH-OKZBNKHCSA-N 2 2 342.487 1.217 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193609433 442759430 /nfs/dbraw/zinc/75/94/30/442759430.db2.gz QDOIOMIPTVMNMH-OKZBNKHCSA-N 2 2 342.487 1.217 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193609433 442759433 /nfs/dbraw/zinc/75/94/33/442759433.db2.gz QDOIOMIPTVMNMH-OKZBNKHCSA-N 2 2 342.487 1.217 20 0 EDADLP C[C@@H]1CO[C@@H](C)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000182538031 442783709 /nfs/dbraw/zinc/78/37/09/442783709.db2.gz GMGFOEFRQCWNST-CABCVRRESA-N 2 2 338.496 1.364 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000246796320 442813733 /nfs/dbraw/zinc/81/37/33/442813733.db2.gz MNUCTOUGYNOPNT-WMLDXEAASA-N 2 2 348.491 1.704 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000246796320 442813739 /nfs/dbraw/zinc/81/37/39/442813739.db2.gz MNUCTOUGYNOPNT-WMLDXEAASA-N 2 2 348.491 1.704 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000246796320 442813745 /nfs/dbraw/zinc/81/37/45/442813745.db2.gz MNUCTOUGYNOPNT-WMLDXEAASA-N 2 2 348.491 1.704 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000246796320 442813748 /nfs/dbraw/zinc/81/37/48/442813748.db2.gz MNUCTOUGYNOPNT-WMLDXEAASA-N 2 2 348.491 1.704 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000182808787 442828435 /nfs/dbraw/zinc/82/84/35/442828435.db2.gz GQPSXCIBGAXVDV-WMZOPIPTSA-N 2 2 338.517 1.964 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000182808787 442828438 /nfs/dbraw/zinc/82/84/38/442828438.db2.gz GQPSXCIBGAXVDV-WMZOPIPTSA-N 2 2 338.517 1.964 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000247307470 442846466 /nfs/dbraw/zinc/84/64/66/442846466.db2.gz QHQGWVHJRLIYJA-VSZNYVQBSA-N 2 2 346.475 1.936 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000247307470 442846470 /nfs/dbraw/zinc/84/64/70/442846470.db2.gz QHQGWVHJRLIYJA-VSZNYVQBSA-N 2 2 346.475 1.936 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000188987812 442855944 /nfs/dbraw/zinc/85/59/44/442855944.db2.gz FGQSERPFDGFKBT-HPEDKQMDSA-N 2 2 327.350 1.526 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000188987812 442855948 /nfs/dbraw/zinc/85/59/48/442855948.db2.gz FGQSERPFDGFKBT-HPEDKQMDSA-N 2 2 327.350 1.526 20 0 EDADLP CCCCC[N@@H+](CC(N)=O)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000183040012 442868858 /nfs/dbraw/zinc/86/88/58/442868858.db2.gz BAVQBQRBWHDAAV-MRXNPFEDSA-N 2 2 346.475 1.992 20 0 EDADLP CCCCC[N@H+](CC(N)=O)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000183040012 442868862 /nfs/dbraw/zinc/86/88/62/442868862.db2.gz BAVQBQRBWHDAAV-MRXNPFEDSA-N 2 2 346.475 1.992 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000268152629 442873362 /nfs/dbraw/zinc/87/33/62/442873362.db2.gz VAYTUXNPAFBNTD-CZUORRHYSA-N 2 2 340.431 1.549 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000268152629 442873368 /nfs/dbraw/zinc/87/33/68/442873368.db2.gz VAYTUXNPAFBNTD-CZUORRHYSA-N 2 2 340.431 1.549 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)cn2c1 ZINC000268154122 442873468 /nfs/dbraw/zinc/87/34/68/442873468.db2.gz VIXHSVGIGNTAIS-BBRMVZONSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cn2c1 ZINC000268154122 442873472 /nfs/dbraw/zinc/87/34/72/442873472.db2.gz VIXHSVGIGNTAIS-BBRMVZONSA-N 2 2 327.432 1.925 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000249065408 442948482 /nfs/dbraw/zinc/94/84/82/442948482.db2.gz UKCYKVZALYDPCJ-NZSAHSFTSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H]1C[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000249065408 442948484 /nfs/dbraw/zinc/94/84/84/442948484.db2.gz UKCYKVZALYDPCJ-NZSAHSFTSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H]1C[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000249065408 442948489 /nfs/dbraw/zinc/94/84/89/442948489.db2.gz UKCYKVZALYDPCJ-NZSAHSFTSA-N 2 2 345.487 1.876 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000183791339 318528505 /nfs/dbraw/zinc/52/85/05/318528505.db2.gz PPFDKMWATCHKIM-QGZVFWFLSA-N 2 2 342.443 1.655 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@@H]1n1cc[nH+]c1 ZINC000268324051 442947325 /nfs/dbraw/zinc/94/73/25/442947325.db2.gz KRMBXMMDNJRYCV-CABCVRRESA-N 2 2 337.493 1.524 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265924939 442971421 /nfs/dbraw/zinc/97/14/21/442971421.db2.gz VZTVIIZYYZKMJQ-GOSISDBHSA-N 2 2 331.460 1.440 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265924939 442971425 /nfs/dbraw/zinc/97/14/25/442971425.db2.gz VZTVIIZYYZKMJQ-GOSISDBHSA-N 2 2 331.460 1.440 20 0 EDADLP C[N@H+](C[C@H](O)C(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249586412 442991242 /nfs/dbraw/zinc/99/12/42/442991242.db2.gz TYINOCXRIUAKAK-GJZGRUSLSA-N 2 2 332.366 1.478 20 0 EDADLP C[N@@H+](C[C@H](O)C(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249586412 442991248 /nfs/dbraw/zinc/99/12/48/442991248.db2.gz TYINOCXRIUAKAK-GJZGRUSLSA-N 2 2 332.366 1.478 20 0 EDADLP C[NH+](C[C@H](O)C(F)(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249586412 442991249 /nfs/dbraw/zinc/99/12/49/442991249.db2.gz TYINOCXRIUAKAK-GJZGRUSLSA-N 2 2 332.366 1.478 20 0 EDADLP C[NH+](C[C@H](O)C(F)(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249586412 442991254 /nfs/dbraw/zinc/99/12/54/442991254.db2.gz TYINOCXRIUAKAK-GJZGRUSLSA-N 2 2 332.366 1.478 20 0 EDADLP CC1CC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000184404671 443018301 /nfs/dbraw/zinc/01/83/01/443018301.db2.gz BOCFSUQNTQMWSL-PCKAHOCUSA-N 2 2 331.464 1.670 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000252443009 443023224 /nfs/dbraw/zinc/02/32/24/443023224.db2.gz KQYYYILQHZVRKA-IAGOWNOFSA-N 2 2 345.491 1.145 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000268625533 443056114 /nfs/dbraw/zinc/05/61/14/443056114.db2.gz NEIPTCHPUFINSG-CQSZACIVSA-N 2 2 347.488 1.351 20 0 EDADLP C[C@@H]1CSCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000190143465 443063128 /nfs/dbraw/zinc/06/31/28/443063128.db2.gz DLZCDSGEQKPYON-AWEZNQCLSA-N 2 2 328.526 1.407 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000268875137 443134405 /nfs/dbraw/zinc/13/44/05/443134405.db2.gz GWYVACXABGNHPW-WMLDXEAASA-N 2 2 332.448 1.540 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000268875137 443134406 /nfs/dbraw/zinc/13/44/06/443134406.db2.gz GWYVACXABGNHPW-WMLDXEAASA-N 2 2 332.448 1.540 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000266472625 443138018 /nfs/dbraw/zinc/13/80/18/443138018.db2.gz SSPRNSXHFOABKJ-QGZVFWFLSA-N 2 2 345.491 1.004 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000266472625 443138024 /nfs/dbraw/zinc/13/80/24/443138024.db2.gz SSPRNSXHFOABKJ-QGZVFWFLSA-N 2 2 345.491 1.004 20 0 EDADLP CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000190601336 443146182 /nfs/dbraw/zinc/14/61/82/443146182.db2.gz YZMRZTJBTIZBRU-MRXNPFEDSA-N 2 2 332.510 1.246 20 0 EDADLP CCS(=O)(=O)CCCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000190601336 443146186 /nfs/dbraw/zinc/14/61/86/443146186.db2.gz YZMRZTJBTIZBRU-MRXNPFEDSA-N 2 2 332.510 1.246 20 0 EDADLP C[C@H](C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000298608662 318832153 /nfs/dbraw/zinc/83/21/53/318832153.db2.gz ZTZXACJPJBEGRI-MSOLQXFVSA-N 2 2 347.503 1.970 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCC(c4[nH]cc[nH+]4)CC3)C2=O)n1 ZINC000266753657 443229766 /nfs/dbraw/zinc/22/97/66/443229766.db2.gz OPLFAXQAYUPSEX-CQSZACIVSA-N 2 2 328.420 1.518 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269211867 443234433 /nfs/dbraw/zinc/23/44/33/443234433.db2.gz BEDRRQNPRYUBGV-CVEARBPZSA-N 2 2 347.463 1.171 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266703052 443213032 /nfs/dbraw/zinc/21/30/32/443213032.db2.gz DESZWXHFIXZTCI-INIZCTEOSA-N 2 2 349.456 1.726 20 0 EDADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411374051 319180386 /nfs/dbraw/zinc/18/03/86/319180386.db2.gz BHPCDHBKWKBALB-AWEZNQCLSA-N 2 2 343.431 1.654 20 0 EDADLP CN(C)C(=O)[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000411954118 319216304 /nfs/dbraw/zinc/21/63/04/319216304.db2.gz QUSLRSRPEFIYJJ-SFHVURJKSA-N 2 2 344.503 1.609 20 0 EDADLP CN(C)C(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000411954118 319216306 /nfs/dbraw/zinc/21/63/06/319216306.db2.gz QUSLRSRPEFIYJJ-SFHVURJKSA-N 2 2 344.503 1.609 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC[N@H+](C)C1 ZINC000413498220 319271656 /nfs/dbraw/zinc/27/16/56/319271656.db2.gz MGMUBDCQFQJHKF-HNNXBMFYSA-N 2 2 341.415 1.388 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC[N@@H+](C)C1 ZINC000413498220 319271657 /nfs/dbraw/zinc/27/16/57/319271657.db2.gz MGMUBDCQFQJHKF-HNNXBMFYSA-N 2 2 341.415 1.388 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000413590120 319281404 /nfs/dbraw/zinc/28/14/04/319281404.db2.gz XZUGHQKPGDZLEK-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000413590120 319281405 /nfs/dbraw/zinc/28/14/05/319281405.db2.gz XZUGHQKPGDZLEK-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415807682 319371174 /nfs/dbraw/zinc/37/11/74/319371174.db2.gz RAAGMLSJMOPKSV-CQSZACIVSA-N 2 2 341.415 1.459 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000185874891 443274120 /nfs/dbraw/zinc/27/41/20/443274120.db2.gz FKXBKMZRLKKPNU-KRWDZBQOSA-N 3 2 327.476 1.988 20 0 EDADLP CCN(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000191316976 443277148 /nfs/dbraw/zinc/27/71/48/443277148.db2.gz XIONQXQVVUDPRV-UHFFFAOYSA-N 2 2 345.491 1.278 20 0 EDADLP C[C@]1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCC[NH2+]C1 ZINC000269363332 443293644 /nfs/dbraw/zinc/29/36/44/443293644.db2.gz URCUSPXTGKYOJD-IBGZPJMESA-N 2 2 341.459 1.368 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416829010 319464967 /nfs/dbraw/zinc/46/49/67/319464967.db2.gz SSRGXSTWEPNWKH-OLZOCXBDSA-N 2 2 326.466 1.158 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000264511295 443311726 /nfs/dbraw/zinc/31/17/26/443311726.db2.gz LMWUGAZPNQXDKU-PFWMLDTASA-N 2 2 340.427 1.722 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000264511295 443311730 /nfs/dbraw/zinc/31/17/30/443311730.db2.gz LMWUGAZPNQXDKU-PFWMLDTASA-N 2 2 340.427 1.722 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416863116 319468196 /nfs/dbraw/zinc/46/81/96/319468196.db2.gz MTTOYWSKOGFVIQ-CRAIPNDOSA-N 2 2 346.475 1.445 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416919205 319474590 /nfs/dbraw/zinc/47/45/90/319474590.db2.gz QPKYUSJFGRCSAW-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416933644 319478264 /nfs/dbraw/zinc/47/82/64/319478264.db2.gz BESFQQGPAUPOFL-UHFFFAOYSA-N 2 2 327.379 1.465 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282373775 443320089 /nfs/dbraw/zinc/32/00/89/443320089.db2.gz WRCFSTQFWGPVEX-RBUKOAKNSA-N 2 2 348.487 1.779 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282373775 443320091 /nfs/dbraw/zinc/32/00/91/443320091.db2.gz WRCFSTQFWGPVEX-RBUKOAKNSA-N 2 2 348.487 1.779 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H]([C@@H](C)O)C3)CC2)c1 ZINC000272532618 443353179 /nfs/dbraw/zinc/35/31/79/443353179.db2.gz IRAIAYZGVPSSPH-MJGOQNOKSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H]([C@@H](C)O)C3)CC2)c1 ZINC000272532618 443353182 /nfs/dbraw/zinc/35/31/82/443353182.db2.gz IRAIAYZGVPSSPH-MJGOQNOKSA-N 2 2 345.487 1.342 20 0 EDADLP CC(C)(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000278763650 443430318 /nfs/dbraw/zinc/43/03/18/443430318.db2.gz WLTLFNNHAJFBFB-UHFFFAOYSA-N 2 2 345.487 1.662 20 0 EDADLP CC(C)(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000278763650 443430321 /nfs/dbraw/zinc/43/03/21/443430321.db2.gz WLTLFNNHAJFBFB-UHFFFAOYSA-N 2 2 345.487 1.662 20 0 EDADLP COc1ccc(OC)c(CCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423014104 319746157 /nfs/dbraw/zinc/74/61/57/319746157.db2.gz OGNLYJZCDQRVKP-OALUTQOASA-N 2 2 334.460 1.993 20 0 EDADLP COC[C@@]1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000423387638 319769479 /nfs/dbraw/zinc/76/94/79/319769479.db2.gz SSEGDIRXMUVKEX-DNVCBOLYSA-N 2 2 347.459 1.644 20 0 EDADLP COC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000423817395 319815719 /nfs/dbraw/zinc/81/57/19/319815719.db2.gz ZBKHHBZDOWHHPV-LBPRGKRZSA-N 2 2 330.226 1.423 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(S(C)(=O)=O)cc1 ZINC000425355876 319833666 /nfs/dbraw/zinc/83/36/66/319833666.db2.gz OVIPTOWEVADJES-GFCCVEGCSA-N 2 2 336.461 1.740 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cn21 ZINC000436068860 320018634 /nfs/dbraw/zinc/01/86/34/320018634.db2.gz XLPMIWVWAYJMBO-MRXNPFEDSA-N 2 2 329.448 1.462 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cn21 ZINC000436068860 320018637 /nfs/dbraw/zinc/01/86/37/320018637.db2.gz XLPMIWVWAYJMBO-MRXNPFEDSA-N 2 2 329.448 1.462 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](CCO)C2CCC2)CC1 ZINC000439276237 320044068 /nfs/dbraw/zinc/04/40/68/320044068.db2.gz OMZQRQZGSKMLFA-KRWDZBQOSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](CCO)C2CCC2)CC1 ZINC000439276237 320044069 /nfs/dbraw/zinc/04/40/69/320044069.db2.gz OMZQRQZGSKMLFA-KRWDZBQOSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000439351788 320045907 /nfs/dbraw/zinc/04/59/07/320045907.db2.gz FFGZTJWGONDUJJ-CYBMUJFWSA-N 2 2 330.432 1.123 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000439351788 320045909 /nfs/dbraw/zinc/04/59/09/320045909.db2.gz FFGZTJWGONDUJJ-CYBMUJFWSA-N 2 2 330.432 1.123 20 0 EDADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000439351788 320045911 /nfs/dbraw/zinc/04/59/11/320045911.db2.gz FFGZTJWGONDUJJ-CYBMUJFWSA-N 2 2 330.432 1.123 20 0 EDADLP C[C@@H]1CC[NH+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000439351788 320045913 /nfs/dbraw/zinc/04/59/13/320045913.db2.gz FFGZTJWGONDUJJ-CYBMUJFWSA-N 2 2 330.432 1.123 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[NH+]1CCOCC1 ZINC000449723621 320202030 /nfs/dbraw/zinc/20/20/30/320202030.db2.gz GAZUSRSRBXTHTC-QWHCGFSZSA-N 2 2 339.402 1.519 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000453979886 320275230 /nfs/dbraw/zinc/27/52/30/320275230.db2.gz QRLRWLSAEZKPJC-KRWDZBQOSA-N 2 2 344.459 1.513 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000453979886 320275231 /nfs/dbraw/zinc/27/52/31/320275231.db2.gz QRLRWLSAEZKPJC-KRWDZBQOSA-N 2 2 344.459 1.513 20 0 EDADLP CC[C@H]1C[NH+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000453979886 320275233 /nfs/dbraw/zinc/27/52/33/320275233.db2.gz QRLRWLSAEZKPJC-KRWDZBQOSA-N 2 2 344.459 1.513 20 0 EDADLP CC[C@H]1C[NH+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000453979886 320275234 /nfs/dbraw/zinc/27/52/34/320275234.db2.gz QRLRWLSAEZKPJC-KRWDZBQOSA-N 2 2 344.459 1.513 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000457488928 320327955 /nfs/dbraw/zinc/32/79/55/320327955.db2.gz WMPYYDGOWZQVJW-MRXNPFEDSA-N 2 2 333.411 1.704 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@]3(CCOC3)C2)CC1 ZINC000458604631 320338227 /nfs/dbraw/zinc/33/82/27/320338227.db2.gz VMFSPYTVVIDNPC-SFHVURJKSA-N 2 2 338.496 1.225 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[C@H]2CCC[NH+](C)C2)CCO1 ZINC000459328839 320346890 /nfs/dbraw/zinc/34/68/90/320346890.db2.gz YQIINWUBFSYFLN-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[C@H]2CCC[NH+](C)C2)CCO1 ZINC000459328839 320346889 /nfs/dbraw/zinc/34/68/89/320346889.db2.gz YQIINWUBFSYFLN-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000459328839 320346891 /nfs/dbraw/zinc/34/68/91/320346891.db2.gz YQIINWUBFSYFLN-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000459328839 320346892 /nfs/dbraw/zinc/34/68/92/320346892.db2.gz YQIINWUBFSYFLN-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP Cn1ccnc1[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1C ZINC000280289712 443692004 /nfs/dbraw/zinc/69/20/04/443692004.db2.gz ZLENKJCITDPLGU-MRXNPFEDSA-N 2 2 337.431 1.490 20 0 EDADLP Cn1ccnc1[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1C ZINC000280289712 443692006 /nfs/dbraw/zinc/69/20/06/443692006.db2.gz ZLENKJCITDPLGU-MRXNPFEDSA-N 2 2 337.431 1.490 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000280291359 443692066 /nfs/dbraw/zinc/69/20/66/443692066.db2.gz XEQGNCGGWJLHMC-UHFFFAOYSA-N 2 2 326.444 1.568 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)C2)CC1 ZINC000625519095 450405255 /nfs/dbraw/zinc/40/52/55/450405255.db2.gz JCHACLNCFHNDIA-JOCLIGHLSA-N 2 2 339.483 1.857 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3[C@@H]4Cc5ccccc5[C@@H]43)C2)CC1 ZINC000625519095 450405261 /nfs/dbraw/zinc/40/52/61/450405261.db2.gz JCHACLNCFHNDIA-JOCLIGHLSA-N 2 2 339.483 1.857 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000514589121 320429228 /nfs/dbraw/zinc/42/92/28/320429228.db2.gz GWETUDJTPFZCRJ-AWEZNQCLSA-N 2 2 344.419 1.186 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC(F)(F)C[NH3+] ZINC000514611112 320429753 /nfs/dbraw/zinc/42/97/53/320429753.db2.gz AGWZGVALDYEKNJ-AWEZNQCLSA-N 2 2 340.418 1.297 20 0 EDADLP O[C@@H](C[NH2+]CCc1[nH+]ccn1Cc1ccccc1)Cn1cccn1 ZINC000516861972 320441961 /nfs/dbraw/zinc/44/19/61/320441961.db2.gz BQBNIUUOKYCUOA-KRWDZBQOSA-N 2 2 325.416 1.321 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000298240963 443727787 /nfs/dbraw/zinc/72/77/87/443727787.db2.gz CJXIKBRCDNTMOK-OAHLLOKOSA-N 2 2 331.395 1.998 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000298240963 443727789 /nfs/dbraw/zinc/72/77/89/443727789.db2.gz CJXIKBRCDNTMOK-OAHLLOKOSA-N 2 2 331.395 1.998 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000291022130 443735030 /nfs/dbraw/zinc/73/50/30/443735030.db2.gz GZWVVCARSSKGMP-IBGZPJMESA-N 2 2 348.487 1.987 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000283850825 443741690 /nfs/dbraw/zinc/74/16/90/443741690.db2.gz KHYTVUGMNGKGCH-MRXNPFEDSA-N 2 2 349.479 1.160 20 0 EDADLP COc1ccc[nH+]c1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000527837554 320527163 /nfs/dbraw/zinc/52/71/63/320527163.db2.gz KGGTUSVEVAVPAW-UHFFFAOYSA-N 2 2 328.420 1.504 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529286693 320571804 /nfs/dbraw/zinc/57/18/04/320571804.db2.gz OSBRBAVKNZCWSP-HNNXBMFYSA-N 2 2 345.447 1.002 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000276654445 443779630 /nfs/dbraw/zinc/77/96/30/443779630.db2.gz XAKBCTPUJGDCOV-MOEXGYKKSA-N 2 2 339.399 1.511 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000276654445 443779633 /nfs/dbraw/zinc/77/96/33/443779633.db2.gz XAKBCTPUJGDCOV-MOEXGYKKSA-N 2 2 339.399 1.511 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000625522346 450408077 /nfs/dbraw/zinc/40/80/77/450408077.db2.gz NXKBLAJEZYQIET-GOEBONIOSA-N 2 2 337.508 1.865 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000625522346 450408082 /nfs/dbraw/zinc/40/80/82/450408082.db2.gz NXKBLAJEZYQIET-GOEBONIOSA-N 2 2 337.508 1.865 20 0 EDADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1=O ZINC000531052324 320646750 /nfs/dbraw/zinc/64/67/50/320646750.db2.gz HDVZMLHGORWHAV-AWEZNQCLSA-N 2 2 341.415 1.425 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531916175 320669187 /nfs/dbraw/zinc/66/91/87/320669187.db2.gz RMFQVQZTGIFAIN-HOTGVXAUSA-N 2 2 347.463 1.436 20 0 EDADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000285110136 443859376 /nfs/dbraw/zinc/85/93/76/443859376.db2.gz REPXIESZTFLKGB-MOPGFXCFSA-N 2 2 330.476 1.990 20 0 EDADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000285110136 443859378 /nfs/dbraw/zinc/85/93/78/443859378.db2.gz REPXIESZTFLKGB-MOPGFXCFSA-N 2 2 330.476 1.990 20 0 EDADLP Cc1cc(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc[nH+]1 ZINC000535060976 320711811 /nfs/dbraw/zinc/71/18/11/320711811.db2.gz OTSQGUMIAUHSBW-UHFFFAOYSA-N 2 2 339.443 1.756 20 0 EDADLP C[C@H]1C[N@H+](CCN(C)C[C@@H]2OCC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000285143794 443871803 /nfs/dbraw/zinc/87/18/03/443871803.db2.gz KPWDMNBQDPSZHY-IHPCNDPISA-N 2 2 347.503 1.711 20 0 EDADLP C[C@H]1C[N@@H+](CCN(C)C[C@@H]2OCC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000285143794 443871813 /nfs/dbraw/zinc/87/18/13/443871813.db2.gz KPWDMNBQDPSZHY-IHPCNDPISA-N 2 2 347.503 1.711 20 0 EDADLP C[C@H]1C[NH+](CCN(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000285143794 443871819 /nfs/dbraw/zinc/87/18/19/443871819.db2.gz KPWDMNBQDPSZHY-IHPCNDPISA-N 2 2 347.503 1.711 20 0 EDADLP C[C@H]1C[NH+](CCN(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000285143794 443871825 /nfs/dbraw/zinc/87/18/25/443871825.db2.gz KPWDMNBQDPSZHY-IHPCNDPISA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281319217 443877750 /nfs/dbraw/zinc/87/77/50/443877750.db2.gz LBUHMHSSOHGXKX-AWEZNQCLSA-N 2 2 332.448 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281319217 443877754 /nfs/dbraw/zinc/87/77/54/443877754.db2.gz LBUHMHSSOHGXKX-AWEZNQCLSA-N 2 2 332.448 1.530 20 0 EDADLP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000299087988 443950757 /nfs/dbraw/zinc/95/07/57/443950757.db2.gz ZNSNMUNRUIQJCR-UHFFFAOYSA-N 2 2 343.431 1.657 20 0 EDADLP CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000299087988 443950760 /nfs/dbraw/zinc/95/07/60/443950760.db2.gz ZNSNMUNRUIQJCR-UHFFFAOYSA-N 2 2 343.431 1.657 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCn3cnc4ccccc4c3=O)C2)C1 ZINC000293067078 443916818 /nfs/dbraw/zinc/91/68/18/443916818.db2.gz VCTXSTHBPSXHMI-LJQANCHMSA-N 2 2 326.444 1.814 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCn3cnc4ccccc4c3=O)C2)C1 ZINC000293067078 443916822 /nfs/dbraw/zinc/91/68/22/443916822.db2.gz VCTXSTHBPSXHMI-LJQANCHMSA-N 2 2 326.444 1.814 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCn3cnc4ccccc4c3=O)C2)C1 ZINC000293067078 443916825 /nfs/dbraw/zinc/91/68/25/443916825.db2.gz VCTXSTHBPSXHMI-LJQANCHMSA-N 2 2 326.444 1.814 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3cnc4ccccc4c3=O)C2)C1 ZINC000293067078 443916828 /nfs/dbraw/zinc/91/68/28/443916828.db2.gz VCTXSTHBPSXHMI-LJQANCHMSA-N 2 2 326.444 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000299121460 443961146 /nfs/dbraw/zinc/96/11/46/443961146.db2.gz VSEYRWQYPUIUSE-UHFFFAOYSA-N 2 2 328.420 1.423 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[S@@](=O)C[C@H](C)C3)c2cc1C ZINC000277402192 443980210 /nfs/dbraw/zinc/98/02/10/443980210.db2.gz JBXHKQWWNOMRMB-VTPJWHAVSA-N 2 2 349.500 1.714 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[S@@](=O)C[C@H](C)C3)c2cc1C ZINC000277402192 443980213 /nfs/dbraw/zinc/98/02/13/443980213.db2.gz JBXHKQWWNOMRMB-VTPJWHAVSA-N 2 2 349.500 1.714 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285455656 443991220 /nfs/dbraw/zinc/99/12/20/443991220.db2.gz GQQOAFIRAKIZHR-KSSFIOAISA-N 2 2 330.432 1.168 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285455656 443991225 /nfs/dbraw/zinc/99/12/25/443991225.db2.gz GQQOAFIRAKIZHR-KSSFIOAISA-N 2 2 330.432 1.168 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285455656 443991228 /nfs/dbraw/zinc/99/12/28/443991228.db2.gz GQQOAFIRAKIZHR-KSSFIOAISA-N 2 2 330.432 1.168 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285455656 443991232 /nfs/dbraw/zinc/99/12/32/443991232.db2.gz GQQOAFIRAKIZHR-KSSFIOAISA-N 2 2 330.432 1.168 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289019344 444035296 /nfs/dbraw/zinc/03/52/96/444035296.db2.gz AGJGJPBSWUMFQR-CYBMUJFWSA-N 2 2 341.415 1.201 20 0 EDADLP COCC[NH+](CCOC)C1CCN(Cc2cc(OC)cc[nH+]2)CC1 ZINC000285500650 444008476 /nfs/dbraw/zinc/00/84/76/444008476.db2.gz NEHVQESHXUCJOA-UHFFFAOYSA-N 2 2 337.464 1.649 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000557025549 320998249 /nfs/dbraw/zinc/99/82/49/320998249.db2.gz LEDKVWXHACJQFD-KWOWKCNFSA-N 2 2 340.431 1.964 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557377529 321003348 /nfs/dbraw/zinc/00/33/48/321003348.db2.gz MJYGIRCCQSKDAO-HNNXBMFYSA-N 2 2 343.431 1.654 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557377529 321003349 /nfs/dbraw/zinc/00/33/49/321003349.db2.gz MJYGIRCCQSKDAO-HNNXBMFYSA-N 2 2 343.431 1.654 20 0 EDADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000561144401 321034858 /nfs/dbraw/zinc/03/48/58/321034858.db2.gz HFGTWFFFSZTXHD-KRWDZBQOSA-N 2 2 344.503 1.655 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000562992223 321086336 /nfs/dbraw/zinc/08/63/36/321086336.db2.gz SYGSQTPENFAKNY-QGTPRVQTSA-N 2 2 334.460 1.645 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000562992223 321086337 /nfs/dbraw/zinc/08/63/37/321086337.db2.gz SYGSQTPENFAKNY-QGTPRVQTSA-N 2 2 334.460 1.645 20 0 EDADLP C[C@H]1CSCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000564500405 321134898 /nfs/dbraw/zinc/13/48/98/321134898.db2.gz UODTWEBHIZLSFS-AWEZNQCLSA-N 2 2 339.530 1.830 20 0 EDADLP C[C@H]1CSCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000564500405 321134899 /nfs/dbraw/zinc/13/48/99/321134899.db2.gz UODTWEBHIZLSFS-AWEZNQCLSA-N 2 2 339.530 1.830 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOc2ccccc2Cl)C[C@H](C)O1 ZINC000564854095 321151327 /nfs/dbraw/zinc/15/13/27/321151327.db2.gz LQQAEYKCEGXRLB-ZNMIVQPWSA-N 2 2 342.867 1.779 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000565167170 321171665 /nfs/dbraw/zinc/17/16/65/321171665.db2.gz WMLMKJZUVTWIEK-HKUYNNGSSA-N 2 2 336.476 1.989 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000565167170 321171667 /nfs/dbraw/zinc/17/16/67/321171667.db2.gz WMLMKJZUVTWIEK-HKUYNNGSSA-N 2 2 336.476 1.989 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000565167170 321171669 /nfs/dbraw/zinc/17/16/69/321171669.db2.gz WMLMKJZUVTWIEK-HKUYNNGSSA-N 2 2 336.476 1.989 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000565167170 321171671 /nfs/dbraw/zinc/17/16/71/321171671.db2.gz WMLMKJZUVTWIEK-HKUYNNGSSA-N 2 2 336.476 1.989 20 0 EDADLP C[C@H](C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[NH+]1CC(C)C1 ZINC000565178592 321173351 /nfs/dbraw/zinc/17/33/51/321173351.db2.gz BUCXOBRBJKZOBH-IEBWSBKVSA-N 2 2 344.503 1.432 20 0 EDADLP CCOc1ccccc1CC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000565299823 321180266 /nfs/dbraw/zinc/18/02/66/321180266.db2.gz LVHYMHNLIAKUGN-JZXOWHBKSA-N 2 2 336.476 1.688 20 0 EDADLP CCOc1ccccc1CC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000565299823 321180268 /nfs/dbraw/zinc/18/02/68/321180268.db2.gz LVHYMHNLIAKUGN-JZXOWHBKSA-N 2 2 336.476 1.688 20 0 EDADLP CCC[C@H]1CN(C(=O)c2csc(C[NH3+])n2)CC[N@@H+]1CCOC ZINC000565545370 321190971 /nfs/dbraw/zinc/19/09/71/321190971.db2.gz UOKMPKXQZUDEPR-LBPRGKRZSA-N 2 2 326.466 1.175 20 0 EDADLP CCC[C@H]1CN(C(=O)c2csc(C[NH3+])n2)CC[N@H+]1CCOC ZINC000565545370 321190973 /nfs/dbraw/zinc/19/09/73/321190973.db2.gz UOKMPKXQZUDEPR-LBPRGKRZSA-N 2 2 326.466 1.175 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000565881969 321204953 /nfs/dbraw/zinc/20/49/53/321204953.db2.gz RIWKZJPLTAONKB-NUEKZKHPSA-N 2 2 327.432 1.936 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000289292909 444098716 /nfs/dbraw/zinc/09/87/16/444098716.db2.gz AHSIEDQOBAXTTI-CABCVRRESA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000289292909 444098722 /nfs/dbraw/zinc/09/87/22/444098722.db2.gz AHSIEDQOBAXTTI-CABCVRRESA-N 2 2 343.265 1.527 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000568230629 321283375 /nfs/dbraw/zinc/28/33/75/321283375.db2.gz ZEHJMFSPYMUTRP-SOUVJXGZSA-N 2 2 326.485 1.173 20 0 EDADLP CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000285769943 444102091 /nfs/dbraw/zinc/10/20/91/444102091.db2.gz XWTCARDDHJHMCF-OAHLLOKOSA-N 2 2 349.460 1.123 20 0 EDADLP CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000285769943 444102092 /nfs/dbraw/zinc/10/20/92/444102092.db2.gz XWTCARDDHJHMCF-OAHLLOKOSA-N 2 2 349.460 1.123 20 0 EDADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000570564467 321347991 /nfs/dbraw/zinc/34/79/91/321347991.db2.gz RBVKZKUEYDNYAC-ZIAGYGMSSA-N 2 2 335.404 1.318 20 0 EDADLP CC(C)C(=O)Nc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000570693782 321353922 /nfs/dbraw/zinc/35/39/22/321353922.db2.gz VIDHGVREACGDDZ-INIZCTEOSA-N 2 2 347.463 1.065 20 0 EDADLP CC(C)C(=O)Nc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000570693782 321353923 /nfs/dbraw/zinc/35/39/23/321353923.db2.gz VIDHGVREACGDDZ-INIZCTEOSA-N 2 2 347.463 1.065 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000571223687 321378088 /nfs/dbraw/zinc/37/80/88/321378088.db2.gz YWYCXZBCAVBEAP-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000571223687 321378089 /nfs/dbraw/zinc/37/80/89/321378089.db2.gz YWYCXZBCAVBEAP-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000571223687 321378090 /nfs/dbraw/zinc/37/80/90/321378090.db2.gz YWYCXZBCAVBEAP-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000571223687 321378091 /nfs/dbraw/zinc/37/80/91/321378091.db2.gz YWYCXZBCAVBEAP-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]2CCOCC2)c1 ZINC000572011054 321410426 /nfs/dbraw/zinc/41/04/26/321410426.db2.gz ZGIZSPMVPPWTFO-OAHLLOKOSA-N 2 2 341.402 1.469 20 0 EDADLP Cn1cc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000285988559 444170547 /nfs/dbraw/zinc/17/05/47/444170547.db2.gz OIAYEBUCMLBDIP-HXUWFJFHSA-N 2 2 339.487 1.812 20 0 EDADLP Cn1cc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000285988559 444170549 /nfs/dbraw/zinc/17/05/49/444170549.db2.gz OIAYEBUCMLBDIP-HXUWFJFHSA-N 2 2 339.487 1.812 20 0 EDADLP CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000575905186 321533387 /nfs/dbraw/zinc/53/33/87/321533387.db2.gz KANJEMGLZAJGBO-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1nc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c(C)c(C)[nH+]1 ZINC000301688347 444185661 /nfs/dbraw/zinc/18/56/61/444185661.db2.gz MMRWXPNTNJTFSM-HNNXBMFYSA-N 2 2 345.491 1.971 20 0 EDADLP CC(C)c1nc(N2CCC(C[NH+]3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000301928988 444197150 /nfs/dbraw/zinc/19/71/50/444197150.db2.gz NNUCQNJODQXMRX-UHFFFAOYSA-N 2 2 348.495 1.610 20 0 EDADLP CC(C)[C@@H](CCO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000304414068 444249091 /nfs/dbraw/zinc/24/90/91/444249091.db2.gz VTFPJUMVRYSQSI-QGZVFWFLSA-N 2 2 340.512 1.251 20 0 EDADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H]1CO ZINC000305697002 444273103 /nfs/dbraw/zinc/27/31/03/444273103.db2.gz ALPXXESHWVYJDO-NVXWUHKLSA-N 2 2 335.448 1.017 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H]1CO ZINC000305697002 444273105 /nfs/dbraw/zinc/27/31/05/444273105.db2.gz ALPXXESHWVYJDO-NVXWUHKLSA-N 2 2 335.448 1.017 20 0 EDADLP CCC[C@](C)(CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000304882852 444254190 /nfs/dbraw/zinc/25/41/90/444254190.db2.gz IMGXQQSLGMWONW-GOSISDBHSA-N 2 2 340.512 1.395 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000305143342 444260897 /nfs/dbraw/zinc/26/08/97/444260897.db2.gz QYHKGAIXEPSENT-GXTWGEPZSA-N 2 2 344.452 1.337 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCc2ccccc2C1 ZINC000305331375 444269349 /nfs/dbraw/zinc/26/93/49/444269349.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 3 2 329.488 1.622 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCc2ccccc2C1 ZINC000305331375 444269350 /nfs/dbraw/zinc/26/93/50/444269350.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 3 2 329.488 1.622 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000305331375 444269352 /nfs/dbraw/zinc/26/93/52/444269352.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 3 2 329.488 1.622 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000305331375 444269354 /nfs/dbraw/zinc/26/93/54/444269354.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 3 2 329.488 1.622 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000290010143 444230218 /nfs/dbraw/zinc/23/02/18/444230218.db2.gz QFFNHRDJDPIKOP-AWEZNQCLSA-N 2 2 344.484 1.990 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000290010143 444230219 /nfs/dbraw/zinc/23/02/19/444230219.db2.gz QFFNHRDJDPIKOP-AWEZNQCLSA-N 2 2 344.484 1.990 20 0 EDADLP C[C@@H](CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)C[NH+]1CCCC1 ZINC000302919691 444231562 /nfs/dbraw/zinc/23/15/62/444231562.db2.gz YQRAZBAATKSKER-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@@H](CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)C[NH+]1CCCC1 ZINC000302919691 444231565 /nfs/dbraw/zinc/23/15/65/444231565.db2.gz YQRAZBAATKSKER-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP CN(CC1CC[NH+](C)CC1)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302920232 444231890 /nfs/dbraw/zinc/23/18/90/444231890.db2.gz ZBBKQWFHZUKOLA-MRXNPFEDSA-N 2 2 333.480 1.606 20 0 EDADLP CN(CC1CC[NH+](C)CC1)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302920232 444231893 /nfs/dbraw/zinc/23/18/93/444231893.db2.gz ZBBKQWFHZUKOLA-MRXNPFEDSA-N 2 2 333.480 1.606 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000304061317 444241117 /nfs/dbraw/zinc/24/11/17/444241117.db2.gz PHWZVAPDSMGRNA-MOPGFXCFSA-N 2 2 345.487 1.566 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000304061317 444241120 /nfs/dbraw/zinc/24/11/20/444241120.db2.gz PHWZVAPDSMGRNA-MOPGFXCFSA-N 2 2 345.487 1.566 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000304061317 444241122 /nfs/dbraw/zinc/24/11/22/444241122.db2.gz PHWZVAPDSMGRNA-MOPGFXCFSA-N 2 2 345.487 1.566 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000304061317 444241124 /nfs/dbraw/zinc/24/11/24/444241124.db2.gz PHWZVAPDSMGRNA-MOPGFXCFSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@](O)(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000304079714 444241946 /nfs/dbraw/zinc/24/19/46/444241946.db2.gz YGBZZJOROWOMIM-HXUWFJFHSA-N 2 2 347.503 1.280 20 0 EDADLP C[C@@](O)(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000304079714 444241948 /nfs/dbraw/zinc/24/19/48/444241948.db2.gz YGBZZJOROWOMIM-HXUWFJFHSA-N 2 2 347.503 1.280 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000297639569 444312164 /nfs/dbraw/zinc/31/21/64/444312164.db2.gz LRYPYDGVXAOVCL-UHFFFAOYSA-N 2 2 331.420 1.244 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000297639569 444312166 /nfs/dbraw/zinc/31/21/66/444312166.db2.gz LRYPYDGVXAOVCL-UHFFFAOYSA-N 2 2 331.420 1.244 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311867313 444293965 /nfs/dbraw/zinc/29/39/65/444293965.db2.gz SYPZFSMPFLSFRS-IPMKNSEASA-N 2 2 345.487 1.911 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311867313 444293967 /nfs/dbraw/zinc/29/39/67/444293967.db2.gz SYPZFSMPFLSFRS-IPMKNSEASA-N 2 2 345.487 1.911 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000337672593 444344115 /nfs/dbraw/zinc/34/41/15/444344115.db2.gz DRVUHDKGHVJGSK-OAHLLOKOSA-N 2 2 345.491 1.899 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000337672593 444344126 /nfs/dbraw/zinc/34/41/26/444344126.db2.gz DRVUHDKGHVJGSK-OAHLLOKOSA-N 2 2 345.491 1.899 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)n1 ZINC000328637879 444407600 /nfs/dbraw/zinc/40/76/00/444407600.db2.gz DAIAIJKNPZDDQB-HZPDHXFCSA-N 2 2 341.415 1.464 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)n1 ZINC000328637879 444407604 /nfs/dbraw/zinc/40/76/04/444407604.db2.gz DAIAIJKNPZDDQB-HZPDHXFCSA-N 2 2 341.415 1.464 20 0 EDADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3nnc4n3CCOC4)C2)n2c1CCCC2 ZINC000328658722 444418059 /nfs/dbraw/zinc/41/80/59/444418059.db2.gz ROLCGUJHSYIUDK-AWEZNQCLSA-N 2 2 342.447 1.721 20 0 EDADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3nnc4n3CCOC4)C2)n2c1CCCC2 ZINC000328658722 444418062 /nfs/dbraw/zinc/41/80/62/444418062.db2.gz ROLCGUJHSYIUDK-AWEZNQCLSA-N 2 2 342.447 1.721 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297988649 444379869 /nfs/dbraw/zinc/37/98/69/444379869.db2.gz WVLJDBKEJGPCMO-UHFFFAOYSA-N 2 2 329.404 1.265 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000578980701 321863195 /nfs/dbraw/zinc/86/31/95/321863195.db2.gz OEQMZAUJNNCWMU-CVEARBPZSA-N 2 2 348.495 1.706 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000340472997 444392329 /nfs/dbraw/zinc/39/23/29/444392329.db2.gz IYFJCHUOPFQGBL-HXUWFJFHSA-N 2 2 347.503 1.749 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2C(F)F)([NH+]2CCCCC2)CC1 ZINC000337955687 444470261 /nfs/dbraw/zinc/47/02/61/444470261.db2.gz PUVWHAQPWNKREI-KGLIPLIRSA-N 2 2 329.435 1.954 20 0 EDADLP C[NH+](C)CC1(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCCCC1 ZINC000331174242 444430682 /nfs/dbraw/zinc/43/06/82/444430682.db2.gz WPFPSYPHIAAMBI-UHFFFAOYSA-N 2 2 338.496 1.957 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000328975924 444430760 /nfs/dbraw/zinc/43/07/60/444430760.db2.gz CVWCORRXIPZUTP-QZTJIDSGSA-N 2 2 340.427 1.726 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000328975924 444430766 /nfs/dbraw/zinc/43/07/66/444430766.db2.gz CVWCORRXIPZUTP-QZTJIDSGSA-N 2 2 340.427 1.726 20 0 EDADLP C[C@@H](CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)n1cc[nH+]c1 ZINC000579722564 321966138 /nfs/dbraw/zinc/96/61/38/321966138.db2.gz YIQLSTDXUVIRIT-INIZCTEOSA-N 2 2 334.464 1.795 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC000580092353 322009273 /nfs/dbraw/zinc/00/92/73/322009273.db2.gz DRFVEGWYWOOHRF-INIZCTEOSA-N 2 2 347.507 1.605 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000580092353 322009274 /nfs/dbraw/zinc/00/92/74/322009274.db2.gz DRFVEGWYWOOHRF-INIZCTEOSA-N 2 2 347.507 1.605 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000580245630 322027394 /nfs/dbraw/zinc/02/73/94/322027394.db2.gz XJFPFHIOBCPBSR-MRXNPFEDSA-N 3 2 332.496 1.048 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000580245630 322027395 /nfs/dbraw/zinc/02/73/95/322027395.db2.gz XJFPFHIOBCPBSR-MRXNPFEDSA-N 3 2 332.496 1.048 20 0 EDADLP CC1CCC(O)(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000580316420 322036237 /nfs/dbraw/zinc/03/62/37/322036237.db2.gz CBTYSNNULMFTKX-SWKXRBFHSA-N 2 2 334.464 1.442 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NC[C@H]1CCC[N@@H+](C)C1)C(F)(F)F ZINC000580568258 322069160 /nfs/dbraw/zinc/06/91/60/322069160.db2.gz AXDAOADXPUBLJQ-NEPJUHHUSA-N 2 2 332.370 1.914 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000580971309 322119286 /nfs/dbraw/zinc/11/92/86/322119286.db2.gz BDESUSAKXTXXFU-HOCLYGCPSA-N 2 2 349.479 1.623 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000580971309 322119287 /nfs/dbraw/zinc/11/92/87/322119287.db2.gz BDESUSAKXTXXFU-HOCLYGCPSA-N 2 2 349.479 1.623 20 0 EDADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000581061034 322130224 /nfs/dbraw/zinc/13/02/24/322130224.db2.gz BHKQJYGXPHHIKG-SFHVURJKSA-N 3 2 347.507 1.313 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000581319164 322163840 /nfs/dbraw/zinc/16/38/40/322163840.db2.gz SCSVWGZYEUYQKC-MRXNPFEDSA-N 2 2 339.867 1.781 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581662475 322205486 /nfs/dbraw/zinc/20/54/86/322205486.db2.gz LHHXHVYJVWPKPG-XNXQJFLXSA-N 2 2 348.487 1.858 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581662475 322205489 /nfs/dbraw/zinc/20/54/89/322205489.db2.gz LHHXHVYJVWPKPG-XNXQJFLXSA-N 2 2 348.487 1.858 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1Br ZINC000581713722 322212152 /nfs/dbraw/zinc/21/21/52/322212152.db2.gz SGWKQDWSNFHHLJ-GFCCVEGCSA-N 2 2 341.253 1.864 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1Br ZINC000581713722 322212153 /nfs/dbraw/zinc/21/21/53/322212153.db2.gz SGWKQDWSNFHHLJ-GFCCVEGCSA-N 2 2 341.253 1.864 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581833502 322222914 /nfs/dbraw/zinc/22/29/14/322222914.db2.gz OFAWKELIZPXBIF-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581833502 322222916 /nfs/dbraw/zinc/22/29/16/322222916.db2.gz OFAWKELIZPXBIF-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581833502 322222918 /nfs/dbraw/zinc/22/29/18/322222918.db2.gz OFAWKELIZPXBIF-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581833502 322222919 /nfs/dbraw/zinc/22/29/19/322222919.db2.gz OFAWKELIZPXBIF-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP COc1cc(OC)c(NC(=O)C[NH2+]CC2([NH3+])CCC2)cc1Cl ZINC000342148926 444535033 /nfs/dbraw/zinc/53/50/33/444535033.db2.gz WBSOBMRSXZTNIY-UHFFFAOYSA-N 2 2 327.812 1.767 20 0 EDADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000342129093 444524598 /nfs/dbraw/zinc/52/45/98/444524598.db2.gz NDMKMFYBIDLSMZ-KBPBESRZSA-N 2 2 333.432 1.144 20 0 EDADLP O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342139892 444529328 /nfs/dbraw/zinc/52/93/28/444529328.db2.gz UCPWXSIWBSAYJQ-GUDVDZBRSA-N 2 2 343.471 1.488 20 0 EDADLP O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342139892 444529333 /nfs/dbraw/zinc/52/93/33/444529333.db2.gz UCPWXSIWBSAYJQ-GUDVDZBRSA-N 2 2 343.471 1.488 20 0 EDADLP O=C1NC[C@@H]2[C@H]1CCC[NH+]2C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342139892 444529336 /nfs/dbraw/zinc/52/93/36/444529336.db2.gz UCPWXSIWBSAYJQ-GUDVDZBRSA-N 2 2 343.471 1.488 20 0 EDADLP O=C1NC[C@@H]2[C@H]1CCC[NH+]2C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342139892 444529339 /nfs/dbraw/zinc/52/93/39/444529339.db2.gz UCPWXSIWBSAYJQ-GUDVDZBRSA-N 2 2 343.471 1.488 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000342242610 444583841 /nfs/dbraw/zinc/58/38/41/444583841.db2.gz GZWCLPPANTVXFF-BPQIPLTHSA-N 2 2 335.492 1.715 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000342242610 444583847 /nfs/dbraw/zinc/58/38/47/444583847.db2.gz GZWCLPPANTVXFF-BPQIPLTHSA-N 2 2 335.492 1.715 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343716597 444541807 /nfs/dbraw/zinc/54/18/07/444541807.db2.gz IWRUMZYBCHBEJM-GVDBMIGSSA-N 2 2 338.540 1.780 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343716597 444541811 /nfs/dbraw/zinc/54/18/11/444541811.db2.gz IWRUMZYBCHBEJM-GVDBMIGSSA-N 2 2 338.540 1.780 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)NCCOc2cccc(C(F)(F)F)c2)CCC1 ZINC000342177771 444549742 /nfs/dbraw/zinc/54/97/42/444549742.db2.gz WTHYFMGPRPWPSI-UHFFFAOYSA-N 2 2 345.365 1.671 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000332919993 444597748 /nfs/dbraw/zinc/59/77/48/444597748.db2.gz NMVUDDMYYWSYIT-GJZGRUSLSA-N 2 2 332.448 1.407 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000338291391 444614822 /nfs/dbraw/zinc/61/48/22/444614822.db2.gz VVKBLKGBYVQECS-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000338291391 444614825 /nfs/dbraw/zinc/61/48/25/444614825.db2.gz VVKBLKGBYVQECS-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CNC(=O)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000343891220 444649140 /nfs/dbraw/zinc/64/91/40/444649140.db2.gz XUOQWEWLVYMRCD-LPHOPBHVSA-N 2 2 344.503 1.504 20 0 EDADLP CNC(=O)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000343891220 444649145 /nfs/dbraw/zinc/64/91/45/444649145.db2.gz XUOQWEWLVYMRCD-LPHOPBHVSA-N 2 2 344.503 1.504 20 0 EDADLP C[C@@H](NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333427902 444666371 /nfs/dbraw/zinc/66/63/71/444666371.db2.gz UFORLLSZLSWVPL-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000333427912 444666947 /nfs/dbraw/zinc/66/69/47/444666947.db2.gz UFORLLSZLSWVPL-JKSUJKDBSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000341094079 444670016 /nfs/dbraw/zinc/67/00/16/444670016.db2.gz GNNRRBQQYRBHHA-GFCCVEGCSA-N 2 2 327.375 1.713 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)c1 ZINC000342388663 444670563 /nfs/dbraw/zinc/67/05/63/444670563.db2.gz SWMQNKSTSWJJTJ-UHFFFAOYSA-N 2 2 347.463 1.162 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)c2cc(N3CCSCC3)[nH+]cn2)[N@H+](C)C1 ZINC000343869806 444637937 /nfs/dbraw/zinc/63/79/37/444637937.db2.gz CBOGOKQDYGXWKW-UONOGXRCSA-N 2 2 337.493 1.185 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)c2cc(N3CCSCC3)[nH+]cn2)[N@@H+](C)C1 ZINC000343869806 444637942 /nfs/dbraw/zinc/63/79/42/444637942.db2.gz CBOGOKQDYGXWKW-UONOGXRCSA-N 2 2 337.493 1.185 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000342473417 444706741 /nfs/dbraw/zinc/70/67/41/444706741.db2.gz LJAOJEMJFCXVGP-PKOBYXMFSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000342473417 444706746 /nfs/dbraw/zinc/70/67/46/444706746.db2.gz LJAOJEMJFCXVGP-PKOBYXMFSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342473417 444706747 /nfs/dbraw/zinc/70/67/47/444706747.db2.gz LJAOJEMJFCXVGP-PKOBYXMFSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342473417 444706750 /nfs/dbraw/zinc/70/67/50/444706750.db2.gz LJAOJEMJFCXVGP-PKOBYXMFSA-N 2 2 345.487 1.878 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333888883 444708806 /nfs/dbraw/zinc/70/88/06/444708806.db2.gz GKPKMTNNADQEDO-HOTGVXAUSA-N 2 2 329.448 1.433 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333926133 444720213 /nfs/dbraw/zinc/72/02/13/444720213.db2.gz VEMGASNNIJUMGG-DLBZAZTESA-N 2 2 343.475 1.823 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000342505210 444721355 /nfs/dbraw/zinc/72/13/55/444721355.db2.gz SGGDLSWYOLBPSN-JKSUJKDBSA-N 2 2 333.480 1.404 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000342505210 444721359 /nfs/dbraw/zinc/72/13/59/444721359.db2.gz SGGDLSWYOLBPSN-JKSUJKDBSA-N 2 2 333.480 1.404 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[NH+](C4CCC4)CC3)nc[nH+]2)C1 ZINC000334055097 444764122 /nfs/dbraw/zinc/76/41/22/444764122.db2.gz UMYLGQKBSNVUNI-GJZGRUSLSA-N 2 2 331.464 1.358 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000344084693 444773426 /nfs/dbraw/zinc/77/34/26/444773426.db2.gz BYIDYPKGILBVEM-SFHVURJKSA-N 2 2 331.460 1.589 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000336854587 444803331 /nfs/dbraw/zinc/80/33/31/444803331.db2.gz FNZACBGFKODEET-ZDUSSCGKSA-N 2 2 326.466 1.261 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)C1CC1 ZINC000336876571 444822324 /nfs/dbraw/zinc/82/23/24/444822324.db2.gz TWOOGLHDFXOCCY-AEFFLSMTSA-N 2 2 326.481 1.492 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)C1CC1 ZINC000336876571 444822329 /nfs/dbraw/zinc/82/23/29/444822329.db2.gz TWOOGLHDFXOCCY-AEFFLSMTSA-N 2 2 326.481 1.492 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000338732034 444827064 /nfs/dbraw/zinc/82/70/64/444827064.db2.gz TZRQUZBBOCDSMW-UHFFFAOYSA-N 2 2 337.468 1.334 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342721657 444833821 /nfs/dbraw/zinc/83/38/21/444833821.db2.gz AEZKZVLRJBMQSX-AWEZNQCLSA-N 2 2 339.386 1.702 20 0 EDADLP COc1cc2[nH+]c(N3C[C@@H](C)[NH+](C)[C@H](C)C3)nc(N)c2cc1OC ZINC000338785729 444850890 /nfs/dbraw/zinc/85/08/90/444850890.db2.gz NOQKQLMQRXSCCF-GHMZBOCLSA-N 2 2 331.420 1.758 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000342764501 444854819 /nfs/dbraw/zinc/85/48/19/444854819.db2.gz IMOYRVDXOYBTAH-CZUORRHYSA-N 2 2 337.414 1.794 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[N@H+]1CCc2ccccc2C1 ZINC000342764501 444854821 /nfs/dbraw/zinc/85/48/21/444854821.db2.gz IMOYRVDXOYBTAH-CZUORRHYSA-N 2 2 337.414 1.794 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CSC1(C)C ZINC000338811584 444864620 /nfs/dbraw/zinc/86/46/20/444864620.db2.gz RZEZJNZRKZKRKL-AWEZNQCLSA-N 2 2 328.526 1.548 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CSC1(C)C ZINC000338811584 444864625 /nfs/dbraw/zinc/86/46/25/444864625.db2.gz RZEZJNZRKZKRKL-AWEZNQCLSA-N 2 2 328.526 1.548 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000344187831 444829057 /nfs/dbraw/zinc/82/90/57/444829057.db2.gz ORUBBBFLHCRWIP-GOSISDBHSA-N 2 2 346.454 1.649 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000344187831 444829064 /nfs/dbraw/zinc/82/90/64/444829064.db2.gz ORUBBBFLHCRWIP-GOSISDBHSA-N 2 2 346.454 1.649 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000344187831 444829070 /nfs/dbraw/zinc/82/90/70/444829070.db2.gz ORUBBBFLHCRWIP-GOSISDBHSA-N 2 2 346.454 1.649 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000341592837 444912266 /nfs/dbraw/zinc/91/22/66/444912266.db2.gz NSWXRTMUFQLSQZ-INIZCTEOSA-N 2 2 344.459 1.554 20 0 EDADLP COC(=O)[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H](C)O1 ZINC000338960442 444955280 /nfs/dbraw/zinc/95/52/80/444955280.db2.gz KCYBHFJYOIYXPO-WBMJQRKESA-N 2 2 330.388 1.338 20 0 EDADLP COC(=O)[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H](C)O1 ZINC000338960442 444955283 /nfs/dbraw/zinc/95/52/83/444955283.db2.gz KCYBHFJYOIYXPO-WBMJQRKESA-N 2 2 330.388 1.338 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000344453737 444984349 /nfs/dbraw/zinc/98/43/49/444984349.db2.gz YZSOCINELVEUEV-NJAFHUGGSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000344453737 444984352 /nfs/dbraw/zinc/98/43/52/444984352.db2.gz YZSOCINELVEUEV-NJAFHUGGSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000344453737 444984355 /nfs/dbraw/zinc/98/43/55/444984355.db2.gz YZSOCINELVEUEV-NJAFHUGGSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000344453737 444984358 /nfs/dbraw/zinc/98/43/58/444984358.db2.gz YZSOCINELVEUEV-NJAFHUGGSA-N 2 2 331.460 1.201 20 0 EDADLP CC(C)COCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000337381602 445056665 /nfs/dbraw/zinc/05/66/65/445056665.db2.gz ZDSKDPJVSVRNHC-JKSUJKDBSA-N 2 2 326.460 1.937 20 0 EDADLP CC(C)COCC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000337381602 445056667 /nfs/dbraw/zinc/05/66/67/445056667.db2.gz ZDSKDPJVSVRNHC-JKSUJKDBSA-N 2 2 326.460 1.937 20 0 EDADLP OC[C@H]1CSCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341914774 445069852 /nfs/dbraw/zinc/06/98/52/445069852.db2.gz ZEWZFUGCJFKXSI-ZWKOTPCHSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@H]1CSCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341914774 445069854 /nfs/dbraw/zinc/06/98/54/445069854.db2.gz ZEWZFUGCJFKXSI-ZWKOTPCHSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@H]1CSCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341914774 445069855 /nfs/dbraw/zinc/06/98/55/445069855.db2.gz ZEWZFUGCJFKXSI-ZWKOTPCHSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@H]1CSCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341914774 445069857 /nfs/dbraw/zinc/06/98/57/445069857.db2.gz ZEWZFUGCJFKXSI-ZWKOTPCHSA-N 2 2 336.501 1.687 20 0 EDADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@]1(CO)CCOC1 ZINC000341926764 445076652 /nfs/dbraw/zinc/07/66/52/445076652.db2.gz WEOVKLLGKLZXGC-RTBURBONSA-N 2 2 334.460 1.361 20 0 EDADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@]1(CO)CCOC1 ZINC000341926764 445076655 /nfs/dbraw/zinc/07/66/55/445076655.db2.gz WEOVKLLGKLZXGC-RTBURBONSA-N 2 2 334.460 1.361 20 0 EDADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@]1(CO)CCOC1 ZINC000341926764 445076658 /nfs/dbraw/zinc/07/66/58/445076658.db2.gz WEOVKLLGKLZXGC-RTBURBONSA-N 2 2 334.460 1.361 20 0 EDADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@]1(CO)CCOC1 ZINC000341926764 445076663 /nfs/dbraw/zinc/07/66/63/445076663.db2.gz WEOVKLLGKLZXGC-RTBURBONSA-N 2 2 334.460 1.361 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2CC[NH+](C)CC2)[NH+]2CCOCC2)c1 ZINC000337335650 445037886 /nfs/dbraw/zinc/03/78/86/445037886.db2.gz MFGBSGXXAJBZIW-SFHVURJKSA-N 2 2 346.475 1.325 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)Cc2cc(OC)cc(OC)c2)C1 ZINC000344692935 445130468 /nfs/dbraw/zinc/13/04/68/445130468.db2.gz ARAKTCYDYNTCSV-ZSZQSSIHSA-N 2 2 336.476 1.785 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)Cc2cc(OC)cc(OC)c2)C1 ZINC000344692935 445130469 /nfs/dbraw/zinc/13/04/69/445130469.db2.gz ARAKTCYDYNTCSV-ZSZQSSIHSA-N 2 2 336.476 1.785 20 0 EDADLP C[C@H]1CN(C(=O)COc2ccsc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000337479316 445098523 /nfs/dbraw/zinc/09/85/23/445098523.db2.gz VTYTZADFVISUEN-AWEZNQCLSA-N 2 2 337.489 1.754 20 0 EDADLP C[C@H]1CN(C(=O)COc2ccsc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000337479316 445098525 /nfs/dbraw/zinc/09/85/25/445098525.db2.gz VTYTZADFVISUEN-AWEZNQCLSA-N 2 2 337.489 1.754 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]CC2([NH3+])CCC2)CC1 ZINC000342089884 445166114 /nfs/dbraw/zinc/16/61/14/445166114.db2.gz BQIOJVKLNBICMY-UHFFFAOYSA-N 3 2 344.503 1.500 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]CC2([NH3+])CCC2)CC1 ZINC000342089884 445166117 /nfs/dbraw/zinc/16/61/17/445166117.db2.gz BQIOJVKLNBICMY-UHFFFAOYSA-N 3 2 344.503 1.500 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000343290478 445182760 /nfs/dbraw/zinc/18/27/60/445182760.db2.gz WPOIMQSZMHMUCT-OKZBNKHCSA-N 2 2 329.444 1.192 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000343290478 445182765 /nfs/dbraw/zinc/18/27/65/445182765.db2.gz WPOIMQSZMHMUCT-OKZBNKHCSA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC000343290478 445182768 /nfs/dbraw/zinc/18/27/68/445182768.db2.gz WPOIMQSZMHMUCT-OKZBNKHCSA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)C[C@@H]21 ZINC000343290478 445182773 /nfs/dbraw/zinc/18/27/73/445182773.db2.gz WPOIMQSZMHMUCT-OKZBNKHCSA-N 2 2 329.444 1.192 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337644742 445185415 /nfs/dbraw/zinc/18/54/15/445185415.db2.gz IJTSVVTVHYYAGV-WMLDXEAASA-N 2 2 335.423 1.267 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC[NH2+]2)cc1 ZINC000337568429 445142304 /nfs/dbraw/zinc/14/23/04/445142304.db2.gz CATDFLSRMOYBDS-MSOLQXFVSA-N 2 2 331.460 1.443 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC[NH2+]2)cc1 ZINC000337568429 445142306 /nfs/dbraw/zinc/14/23/06/445142306.db2.gz CATDFLSRMOYBDS-MSOLQXFVSA-N 2 2 331.460 1.443 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000345016236 445156801 /nfs/dbraw/zinc/15/68/01/445156801.db2.gz JTFRGFVLGIRCHA-GOEBONIOSA-N 2 2 348.410 2.373 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000343251235 445161517 /nfs/dbraw/zinc/16/15/17/445161517.db2.gz MDHCTNAXKAOSIL-QRVBRYPASA-N 3 2 338.540 1.151 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000343251235 445161521 /nfs/dbraw/zinc/16/15/21/445161521.db2.gz MDHCTNAXKAOSIL-QRVBRYPASA-N 3 2 338.540 1.151 20 0 EDADLP Cc1cccn2c(C[NH2+][C@@H]3CCC(=O)N[C@@H]3c3ccnn3C)c[nH+]c12 ZINC000343393443 445214763 /nfs/dbraw/zinc/21/47/63/445214763.db2.gz WJVXTCDSMWNTJD-PBHICJAKSA-N 2 2 338.415 1.486 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN[C@@H]2CC[NH+](CCOC)C2)[C@H]1c1ccccc1 ZINC000343395108 445215198 /nfs/dbraw/zinc/21/51/98/445215198.db2.gz SRZUPQDDUSMVJC-VAMGGRTRSA-N 2 2 347.503 1.759 20 0 EDADLP CC[N@H+]1CCO[C@H](CN[C@@H]2CC[NH+](CCOC)C2)[C@H]1c1ccccc1 ZINC000343395108 445215199 /nfs/dbraw/zinc/21/51/99/445215199.db2.gz SRZUPQDDUSMVJC-VAMGGRTRSA-N 2 2 347.503 1.759 20 0 EDADLP CC[NH+]1CCO[C@H](CN[C@@H]2CC[N@H+](CCOC)C2)[C@H]1c1ccccc1 ZINC000343395108 445215201 /nfs/dbraw/zinc/21/52/01/445215201.db2.gz SRZUPQDDUSMVJC-VAMGGRTRSA-N 2 2 347.503 1.759 20 0 EDADLP CC[NH+]1CCO[C@H](CN[C@@H]2CC[N@@H+](CCOC)C2)[C@H]1c1ccccc1 ZINC000343395108 445215203 /nfs/dbraw/zinc/21/52/03/445215203.db2.gz SRZUPQDDUSMVJC-VAMGGRTRSA-N 2 2 347.503 1.759 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000343522399 445238208 /nfs/dbraw/zinc/23/82/08/445238208.db2.gz NAUQLCLNOIXDAM-CVEARBPZSA-N 2 2 337.414 1.967 20 0 EDADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000343527655 445238678 /nfs/dbraw/zinc/23/86/78/445238678.db2.gz LFGUTVVSUWPQBA-UHFFFAOYSA-N 2 2 327.469 1.249 20 0 EDADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000343527655 445238680 /nfs/dbraw/zinc/23/86/80/445238680.db2.gz LFGUTVVSUWPQBA-UHFFFAOYSA-N 2 2 327.469 1.249 20 0 EDADLP COCCC[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351628962 445248974 /nfs/dbraw/zinc/24/89/74/445248974.db2.gz BKQNHKUSWTVIMG-HZPDHXFCSA-N 2 2 325.497 1.676 20 0 EDADLP COCCC[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351628962 445248976 /nfs/dbraw/zinc/24/89/76/445248976.db2.gz BKQNHKUSWTVIMG-HZPDHXFCSA-N 2 2 325.497 1.676 20 0 EDADLP COc1cnc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000351633158 445251055 /nfs/dbraw/zinc/25/10/55/445251055.db2.gz VCZPDFCZNFUVAT-UHFFFAOYSA-N 2 2 341.481 1.641 20 0 EDADLP COc1cnc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000351633158 445251057 /nfs/dbraw/zinc/25/10/57/445251057.db2.gz VCZPDFCZNFUVAT-UHFFFAOYSA-N 2 2 341.481 1.641 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000343606087 445260831 /nfs/dbraw/zinc/26/08/31/445260831.db2.gz MKGSXDSBOQIWFI-IXDOHACOSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000343606087 445260834 /nfs/dbraw/zinc/26/08/34/445260834.db2.gz MKGSXDSBOQIWFI-IXDOHACOSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000343606087 445260835 /nfs/dbraw/zinc/26/08/35/445260835.db2.gz MKGSXDSBOQIWFI-IXDOHACOSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000343606087 445260838 /nfs/dbraw/zinc/26/08/38/445260838.db2.gz MKGSXDSBOQIWFI-IXDOHACOSA-N 2 2 325.497 1.866 20 0 EDADLP COc1cc2[nH+]c(N[C@H]3CCC[N@H+](C)[C@H]3C)nc(N)c2cc1OC ZINC000343606162 445260968 /nfs/dbraw/zinc/26/09/68/445260968.db2.gz OQWGUURKTONANP-JQWIXIFHSA-N 2 2 331.420 1.546 20 0 EDADLP COc1cc2[nH+]c(N[C@H]3CCC[N@@H+](C)[C@H]3C)nc(N)c2cc1OC ZINC000343606162 445260970 /nfs/dbraw/zinc/26/09/70/445260970.db2.gz OQWGUURKTONANP-JQWIXIFHSA-N 2 2 331.420 1.546 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]21 ZINC000348007344 445261248 /nfs/dbraw/zinc/26/12/48/445261248.db2.gz HVUOWOONNKWWID-KZNAEPCWSA-N 2 2 335.492 1.715 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)C[C@H]21 ZINC000348007344 445261250 /nfs/dbraw/zinc/26/12/50/445261250.db2.gz HVUOWOONNKWWID-KZNAEPCWSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)C[C@H]21 ZINC000348007344 445261253 /nfs/dbraw/zinc/26/12/53/445261253.db2.gz HVUOWOONNKWWID-KZNAEPCWSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C[C@H]21 ZINC000348007344 445261254 /nfs/dbraw/zinc/26/12/54/445261254.db2.gz HVUOWOONNKWWID-KZNAEPCWSA-N 2 2 335.492 1.715 20 0 EDADLP O[C@@H]1CC[C@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]12 ZINC000351769402 445314834 /nfs/dbraw/zinc/31/48/34/445314834.db2.gz YMDFHIFEDPJSFY-YSIASYRMSA-N 2 2 329.488 1.901 20 0 EDADLP O[C@@H]1CC[C@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]12 ZINC000351769402 445314839 /nfs/dbraw/zinc/31/48/39/445314839.db2.gz YMDFHIFEDPJSFY-YSIASYRMSA-N 2 2 329.488 1.901 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC000348109405 445272617 /nfs/dbraw/zinc/27/26/17/445272617.db2.gz AUSKNZBBRHZFSZ-KBMXLJTQSA-N 2 2 349.454 1.028 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC000348109405 445272621 /nfs/dbraw/zinc/27/26/21/445272621.db2.gz AUSKNZBBRHZFSZ-KBMXLJTQSA-N 2 2 349.454 1.028 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnn(CC(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000351700143 445278104 /nfs/dbraw/zinc/27/81/04/445278104.db2.gz JEQWBUPGNMZSHL-HOCLYGCPSA-N 2 2 341.450 1.606 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000351700143 445278106 /nfs/dbraw/zinc/27/81/06/445278106.db2.gz JEQWBUPGNMZSHL-HOCLYGCPSA-N 2 2 341.450 1.606 20 0 EDADLP CCOCC[C@H](O)C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348126238 445282284 /nfs/dbraw/zinc/28/22/84/445282284.db2.gz XRHSZUFMEYMRKD-OAGGEKHMSA-N 2 2 342.459 1.052 20 0 EDADLP CCOCC[C@H](O)C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348126238 445282286 /nfs/dbraw/zinc/28/22/86/445282286.db2.gz XRHSZUFMEYMRKD-OAGGEKHMSA-N 2 2 342.459 1.052 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000348159320 445293492 /nfs/dbraw/zinc/29/34/92/445293492.db2.gz MRZXQHZXOIKPFY-YESZJQIVSA-N 2 2 346.475 1.259 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351848641 445341762 /nfs/dbraw/zinc/34/17/62/445341762.db2.gz DPWPTJUTIMLPGX-NXEZZACHSA-N 2 2 327.331 1.616 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351848641 445341766 /nfs/dbraw/zinc/34/17/66/445341766.db2.gz DPWPTJUTIMLPGX-NXEZZACHSA-N 2 2 327.331 1.616 20 0 EDADLP COc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(OC)c1 ZINC000362375106 445351091 /nfs/dbraw/zinc/35/10/91/445351091.db2.gz ACQLQZNBFOVQED-KRWDZBQOSA-N 2 2 333.476 1.916 20 0 EDADLP COc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(OC)c1 ZINC000362375106 445351093 /nfs/dbraw/zinc/35/10/93/445351093.db2.gz ACQLQZNBFOVQED-KRWDZBQOSA-N 2 2 333.476 1.916 20 0 EDADLP C[N@@H+]1CCO[C@H]2CN(CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000351887490 445356508 /nfs/dbraw/zinc/35/65/08/445356508.db2.gz GFQYQMLELPERLZ-PMACEKPBSA-N 2 2 344.503 1.214 20 0 EDADLP C[N@H+]1CCO[C@H]2CN(CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000351887490 445356513 /nfs/dbraw/zinc/35/65/13/445356513.db2.gz GFQYQMLELPERLZ-PMACEKPBSA-N 2 2 344.503 1.214 20 0 EDADLP CN1CCO[C@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000351887490 445356520 /nfs/dbraw/zinc/35/65/20/445356520.db2.gz GFQYQMLELPERLZ-PMACEKPBSA-N 2 2 344.503 1.214 20 0 EDADLP CN1CCO[C@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000351887490 445356525 /nfs/dbraw/zinc/35/65/25/445356525.db2.gz GFQYQMLELPERLZ-PMACEKPBSA-N 2 2 344.503 1.214 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1C[C@H](F)C[NH+]1Cc1cnn(C)c1 ZINC000351904289 445365196 /nfs/dbraw/zinc/36/51/96/445365196.db2.gz GBLWHICAVYWNAR-JKSUJKDBSA-N 2 2 339.459 1.133 20 0 EDADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351904289 445365199 /nfs/dbraw/zinc/36/51/99/445365199.db2.gz GBLWHICAVYWNAR-JKSUJKDBSA-N 2 2 339.459 1.133 20 0 EDADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351904289 445365205 /nfs/dbraw/zinc/36/52/05/445365205.db2.gz GBLWHICAVYWNAR-JKSUJKDBSA-N 2 2 339.459 1.133 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000357066832 445404347 /nfs/dbraw/zinc/40/43/47/445404347.db2.gz CPMUZMKQCCPJGT-UHFFFAOYSA-N 2 2 346.258 1.727 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357066707 445404511 /nfs/dbraw/zinc/40/45/11/445404511.db2.gz CCENIBWNCBLTEJ-BBWFWOEESA-N 2 2 331.460 1.420 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357066707 445404517 /nfs/dbraw/zinc/40/45/17/445404517.db2.gz CCENIBWNCBLTEJ-BBWFWOEESA-N 2 2 331.460 1.420 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357082430 445415027 /nfs/dbraw/zinc/41/50/27/445415027.db2.gz WXQDGYHULBRQMZ-IEBWSBKVSA-N 2 2 345.487 1.769 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357082430 445415031 /nfs/dbraw/zinc/41/50/31/445415031.db2.gz WXQDGYHULBRQMZ-IEBWSBKVSA-N 2 2 345.487 1.769 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000357093783 445424776 /nfs/dbraw/zinc/42/47/76/445424776.db2.gz YRPYMLJLOKDLGV-GJZGRUSLSA-N 2 2 330.432 1.493 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000357093783 445424780 /nfs/dbraw/zinc/42/47/80/445424780.db2.gz YRPYMLJLOKDLGV-GJZGRUSLSA-N 2 2 330.432 1.493 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000362528771 445425247 /nfs/dbraw/zinc/42/52/47/445425247.db2.gz BMBQYAWULKCVES-MJGOQNOKSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000362528771 445425249 /nfs/dbraw/zinc/42/52/49/445425249.db2.gz BMBQYAWULKCVES-MJGOQNOKSA-N 2 2 345.487 1.688 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](C)CCn1cc(Br)cn1)C1CC1 ZINC000351955619 445399523 /nfs/dbraw/zinc/39/95/23/445399523.db2.gz CTZFSODMEXEOMD-CYBMUJFWSA-N 2 2 331.258 1.033 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](C)CCn1cc(Br)cn1)C1CC1 ZINC000351955619 445399530 /nfs/dbraw/zinc/39/95/30/445399530.db2.gz CTZFSODMEXEOMD-CYBMUJFWSA-N 2 2 331.258 1.033 20 0 EDADLP C[NH+](CCn1cc(Br)cn1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351955619 445399532 /nfs/dbraw/zinc/39/95/32/445399532.db2.gz CTZFSODMEXEOMD-CYBMUJFWSA-N 2 2 331.258 1.033 20 0 EDADLP C[NH+](CCn1cc(Br)cn1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351955619 445399537 /nfs/dbraw/zinc/39/95/37/445399537.db2.gz CTZFSODMEXEOMD-CYBMUJFWSA-N 2 2 331.258 1.033 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000352073390 445473765 /nfs/dbraw/zinc/47/37/65/445473765.db2.gz GMXDTWQGIGGCLM-OAHLLOKOSA-N 2 2 342.509 1.346 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)CCOC1C[NH2+]C1)c1ccccc1F ZINC000349008593 445473822 /nfs/dbraw/zinc/47/38/22/445473822.db2.gz WBLJGBNRPAHXFK-INIZCTEOSA-N 2 2 332.379 1.143 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2cc[nH]n2)cc[nH+]1 ZINC000354917832 445434388 /nfs/dbraw/zinc/43/43/88/445434388.db2.gz IALQQBGPFJMYDX-OCCSQVGLSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2cc[nH]n2)cc[nH+]1 ZINC000354917832 445434391 /nfs/dbraw/zinc/43/43/91/445434391.db2.gz IALQQBGPFJMYDX-OCCSQVGLSA-N 2 2 333.415 1.315 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)o3)CC2)CC1 ZINC000348920412 445441572 /nfs/dbraw/zinc/44/15/72/445441572.db2.gz JPXKNBHZMRHGMZ-UHFFFAOYSA-N 2 2 325.840 1.919 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1Cl ZINC000362664168 445486434 /nfs/dbraw/zinc/48/64/34/445486434.db2.gz BQNXSYTVKGNELX-CQSZACIVSA-N 2 2 337.851 1.745 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1Cl ZINC000362664168 445486435 /nfs/dbraw/zinc/48/64/35/445486435.db2.gz BQNXSYTVKGNELX-CQSZACIVSA-N 2 2 337.851 1.745 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000359919846 445488570 /nfs/dbraw/zinc/48/85/70/445488570.db2.gz WXRZGWPSQFSDDV-SJORKVTESA-N 2 2 340.512 1.613 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000359919846 445488573 /nfs/dbraw/zinc/48/85/73/445488573.db2.gz WXRZGWPSQFSDDV-SJORKVTESA-N 2 2 340.512 1.613 20 0 EDADLP Cc1cccn2c(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cnc12 ZINC000362669370 445489372 /nfs/dbraw/zinc/48/93/72/445489372.db2.gz IRIHGFSDSGNPEN-OAHLLOKOSA-N 2 2 327.432 1.039 20 0 EDADLP Cc1cccn2c(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cnc12 ZINC000362669370 445489375 /nfs/dbraw/zinc/48/93/75/445489375.db2.gz IRIHGFSDSGNPEN-OAHLLOKOSA-N 2 2 327.432 1.039 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000357482719 445562895 /nfs/dbraw/zinc/56/28/95/445562895.db2.gz JOWABYZIZUJTNK-SJORKVTESA-N 2 2 337.508 1.866 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000357482719 445562897 /nfs/dbraw/zinc/56/28/97/445562897.db2.gz JOWABYZIZUJTNK-SJORKVTESA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000357482719 445562900 /nfs/dbraw/zinc/56/29/00/445562900.db2.gz JOWABYZIZUJTNK-SJORKVTESA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000357482719 445562903 /nfs/dbraw/zinc/56/29/03/445562903.db2.gz JOWABYZIZUJTNK-SJORKVTESA-N 2 2 337.508 1.866 20 0 EDADLP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362826686 445567626 /nfs/dbraw/zinc/56/76/26/445567626.db2.gz NPFBKMBWUIKOHF-QGZVFWFLSA-N 2 2 344.459 1.084 20 0 EDADLP CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362826686 445567631 /nfs/dbraw/zinc/56/76/31/445567631.db2.gz NPFBKMBWUIKOHF-QGZVFWFLSA-N 2 2 344.459 1.084 20 0 EDADLP CC(C)(C)c1csc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362841267 445576297 /nfs/dbraw/zinc/57/62/97/445576297.db2.gz VTSOODVCNRMSJN-CYBMUJFWSA-N 2 2 336.505 1.837 20 0 EDADLP CC(C)(C)c1csc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362841267 445576300 /nfs/dbraw/zinc/57/63/00/445576300.db2.gz VTSOODVCNRMSJN-CYBMUJFWSA-N 2 2 336.505 1.837 20 0 EDADLP COc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc2c1OCO2 ZINC000349524938 445603830 /nfs/dbraw/zinc/60/38/30/445603830.db2.gz UGMQBKDDMVNVRH-UHFFFAOYSA-N 2 2 347.459 1.637 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000356117576 445630917 /nfs/dbraw/zinc/63/09/17/445630917.db2.gz NQPAOSCHUXQJCY-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000356117576 445630921 /nfs/dbraw/zinc/63/09/21/445630921.db2.gz NQPAOSCHUXQJCY-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353520944 445640335 /nfs/dbraw/zinc/64/03/35/445640335.db2.gz QCXHZDGRSOQOJR-KSSFIOAISA-N 2 2 328.416 1.470 20 0 EDADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353520944 445640338 /nfs/dbraw/zinc/64/03/38/445640338.db2.gz QCXHZDGRSOQOJR-KSSFIOAISA-N 2 2 328.416 1.470 20 0 EDADLP C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000356051948 445591549 /nfs/dbraw/zinc/59/15/49/445591549.db2.gz BCMLBEIGFNSIFX-WMLDXEAASA-N 2 2 328.416 1.399 20 0 EDADLP C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000356051948 445591551 /nfs/dbraw/zinc/59/15/51/445591551.db2.gz BCMLBEIGFNSIFX-WMLDXEAASA-N 2 2 328.416 1.399 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353624575 445680643 /nfs/dbraw/zinc/68/06/43/445680643.db2.gz UBNDZOWXYAJICV-KGLIPLIRSA-N 2 2 333.432 1.779 20 0 EDADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000363179960 445709672 /nfs/dbraw/zinc/70/96/72/445709672.db2.gz UZIOXRLRXXKQNM-HNNXBMFYSA-N 2 2 333.480 2.000 20 0 EDADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000363179960 445709679 /nfs/dbraw/zinc/70/96/79/445709679.db2.gz UZIOXRLRXXKQNM-HNNXBMFYSA-N 2 2 333.480 2.000 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000350025860 445752173 /nfs/dbraw/zinc/75/21/73/445752173.db2.gz HJSFUZKGKOXBAE-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000350025860 445752175 /nfs/dbraw/zinc/75/21/75/445752175.db2.gz HJSFUZKGKOXBAE-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(C)(C)C[NH+](C)C ZINC000358829167 445797666 /nfs/dbraw/zinc/79/76/66/445797666.db2.gz PQVZWULKNMUVNM-CYBMUJFWSA-N 2 2 349.479 1.208 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000358829167 445797671 /nfs/dbraw/zinc/79/76/71/445797671.db2.gz PQVZWULKNMUVNM-CYBMUJFWSA-N 2 2 349.479 1.208 20 0 EDADLP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000363460070 445813635 /nfs/dbraw/zinc/81/36/35/445813635.db2.gz WLYFBZVSXBDEPP-HNNXBMFYSA-N 2 2 336.480 1.515 20 0 EDADLP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)C1=O ZINC000363460070 445813639 /nfs/dbraw/zinc/81/36/39/445813639.db2.gz WLYFBZVSXBDEPP-HNNXBMFYSA-N 2 2 336.480 1.515 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC[C@H]21 ZINC000361687042 445877518 /nfs/dbraw/zinc/87/75/18/445877518.db2.gz NHJYZROTLFSRNK-KZNAEPCWSA-N 2 2 343.471 1.522 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC[C@H]21 ZINC000361687042 445877520 /nfs/dbraw/zinc/87/75/20/445877520.db2.gz NHJYZROTLFSRNK-KZNAEPCWSA-N 2 2 343.471 1.522 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC[C@H]21 ZINC000361687042 445877522 /nfs/dbraw/zinc/87/75/22/445877522.db2.gz NHJYZROTLFSRNK-KZNAEPCWSA-N 2 2 343.471 1.522 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC[C@H]21 ZINC000361687042 445877524 /nfs/dbraw/zinc/87/75/24/445877524.db2.gz NHJYZROTLFSRNK-KZNAEPCWSA-N 2 2 343.471 1.522 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000363539884 445851002 /nfs/dbraw/zinc/85/10/02/445851002.db2.gz PXYDGCLXSUDZKA-QLFBSQMISA-N 2 2 333.480 1.854 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000363539884 445851005 /nfs/dbraw/zinc/85/10/05/445851005.db2.gz PXYDGCLXSUDZKA-QLFBSQMISA-N 2 2 333.480 1.854 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000582058048 325762840 /nfs/dbraw/zinc/76/28/40/325762840.db2.gz NMXUGQCYEXDGEK-MRXNPFEDSA-N 2 2 332.448 1.632 20 0 EDADLP CCC[NH+]1CCC(N2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000369114017 445937369 /nfs/dbraw/zinc/93/73/69/445937369.db2.gz YJMIRZPOHMSIPU-SFHVURJKSA-N 2 2 338.540 1.199 20 0 EDADLP CCC[NH+]1CCC(N2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000369114017 445937375 /nfs/dbraw/zinc/93/73/75/445937375.db2.gz YJMIRZPOHMSIPU-SFHVURJKSA-N 2 2 338.540 1.199 20 0 EDADLP NC(=O)N1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000365986152 445944083 /nfs/dbraw/zinc/94/40/83/445944083.db2.gz FJDIJALQIVHGHJ-SFHVURJKSA-N 2 2 346.475 1.364 20 0 EDADLP NC(=O)N1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365986152 445944090 /nfs/dbraw/zinc/94/40/90/445944090.db2.gz FJDIJALQIVHGHJ-SFHVURJKSA-N 2 2 346.475 1.364 20 0 EDADLP NC(=O)N1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365986152 445944096 /nfs/dbraw/zinc/94/40/96/445944096.db2.gz FJDIJALQIVHGHJ-SFHVURJKSA-N 2 2 346.475 1.364 20 0 EDADLP CCCn1ncnc1C[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000372954245 445940916 /nfs/dbraw/zinc/94/09/16/445940916.db2.gz LHJQASCGFNHLCI-UHFFFAOYSA-N 2 2 334.512 1.680 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000582368328 325832237 /nfs/dbraw/zinc/83/22/37/325832237.db2.gz FMYWCOVVJRJUDT-UHFFFAOYSA-N 2 2 341.459 1.403 20 0 EDADLP O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc2[nH+]ccn2c1 ZINC000369150548 445955718 /nfs/dbraw/zinc/95/57/18/445955718.db2.gz NAVOLDZQKSHXLE-GOEBONIOSA-N 2 2 328.416 1.565 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366078360 445998069 /nfs/dbraw/zinc/99/80/69/445998069.db2.gz LKCSBKSKGQVBRW-MSOLQXFVSA-N 2 2 346.475 1.452 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000366078360 445998073 /nfs/dbraw/zinc/99/80/73/445998073.db2.gz LKCSBKSKGQVBRW-MSOLQXFVSA-N 2 2 346.475 1.452 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000354163678 445960840 /nfs/dbraw/zinc/96/08/40/445960840.db2.gz MYQHFROWKZSXQI-KRWDZBQOSA-N 2 2 334.460 1.585 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000354163678 445960843 /nfs/dbraw/zinc/96/08/43/445960843.db2.gz MYQHFROWKZSXQI-KRWDZBQOSA-N 2 2 334.460 1.585 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[NH+]1CCOCC1 ZINC000372989429 445961783 /nfs/dbraw/zinc/96/17/83/445961783.db2.gz JYFWAHPAEQSISD-LSDHHAIUSA-N 2 2 349.479 1.470 20 0 EDADLP CSC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000366028711 445970625 /nfs/dbraw/zinc/97/06/25/445970625.db2.gz GKUYSCZOYRIOMB-UHFFFAOYSA-N 2 2 327.538 1.658 20 0 EDADLP CSC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCC1 ZINC000366028711 445970633 /nfs/dbraw/zinc/97/06/33/445970633.db2.gz GKUYSCZOYRIOMB-UHFFFAOYSA-N 2 2 327.538 1.658 20 0 EDADLP c1cn2c([nH+]1)CC[C@@H](c1nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no1)C2 ZINC000351026081 445974025 /nfs/dbraw/zinc/97/40/25/445974025.db2.gz OUBJYSHKEMNJDV-HZSPNIEDSA-N 2 2 329.404 1.922 20 0 EDADLP c1cn2c([nH+]1)CC[C@@H](c1nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)C2 ZINC000351026081 445974029 /nfs/dbraw/zinc/97/40/29/445974029.db2.gz OUBJYSHKEMNJDV-HZSPNIEDSA-N 2 2 329.404 1.922 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2c(c1)CCO2 ZINC000369188538 445978063 /nfs/dbraw/zinc/97/80/63/445978063.db2.gz PTAPWYVXFRLFGU-APWZRJJASA-N 2 2 345.487 1.458 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2c(c1)CCO2 ZINC000369188538 445978070 /nfs/dbraw/zinc/97/80/70/445978070.db2.gz PTAPWYVXFRLFGU-APWZRJJASA-N 2 2 345.487 1.458 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000369188538 445978075 /nfs/dbraw/zinc/97/80/75/445978075.db2.gz PTAPWYVXFRLFGU-APWZRJJASA-N 2 2 345.487 1.458 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000369188538 445978081 /nfs/dbraw/zinc/97/80/81/445978081.db2.gz PTAPWYVXFRLFGU-APWZRJJASA-N 2 2 345.487 1.458 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354204945 445999189 /nfs/dbraw/zinc/99/91/89/445999189.db2.gz HIAARFJTLXSXOW-LSDHHAIUSA-N 2 2 327.469 1.251 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354204945 445999191 /nfs/dbraw/zinc/99/91/91/445999191.db2.gz HIAARFJTLXSXOW-LSDHHAIUSA-N 2 2 327.469 1.251 20 0 EDADLP CCOC(=O)CCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354204945 445999196 /nfs/dbraw/zinc/99/91/96/445999196.db2.gz HIAARFJTLXSXOW-LSDHHAIUSA-N 2 2 327.469 1.251 20 0 EDADLP CCOC(=O)CCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354204945 445999198 /nfs/dbraw/zinc/99/91/98/445999198.db2.gz HIAARFJTLXSXOW-LSDHHAIUSA-N 2 2 327.469 1.251 20 0 EDADLP Cc1ccc(N2CCC[C@H](C(=O)N3CC[NH+](C[C@@H](C)O)CC3)C2)[nH+]c1 ZINC000366059074 445987287 /nfs/dbraw/zinc/98/72/87/445987287.db2.gz JQRKSXMLZIVPQP-SJORKVTESA-N 2 2 346.475 1.131 20 0 EDADLP CC(C)[C@@H]1C[NH+](CCOCC[N@@H+]2CCO[C@H](C(C)C)C2)CCO1 ZINC000351099678 445990299 /nfs/dbraw/zinc/99/02/99/445990299.db2.gz LVNJLMZMGWPHJP-ROUUACIJSA-N 2 2 328.497 1.717 20 0 EDADLP CC(C)[C@@H]1C[NH+](CCOCC[N@H+]2CCO[C@H](C(C)C)C2)CCO1 ZINC000351099678 445990306 /nfs/dbraw/zinc/99/03/06/445990306.db2.gz LVNJLMZMGWPHJP-ROUUACIJSA-N 2 2 328.497 1.717 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356700990 445948874 /nfs/dbraw/zinc/94/88/74/445948874.db2.gz GARVXWWTEXVDPR-BPQIPLTHSA-N 2 2 331.460 1.611 20 0 EDADLP CCCn1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000366118069 446024014 /nfs/dbraw/zinc/02/40/14/446024014.db2.gz HRTYDRYGQBIQDO-INIZCTEOSA-N 2 2 347.507 1.808 20 0 EDADLP CCCn1nc(C)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000366118069 446024021 /nfs/dbraw/zinc/02/40/21/446024021.db2.gz HRTYDRYGQBIQDO-INIZCTEOSA-N 2 2 347.507 1.808 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C)[NH+](C)C ZINC000351333973 446034172 /nfs/dbraw/zinc/03/41/72/446034172.db2.gz CZMJAOOYMGFXGM-IJEWVQPXSA-N 2 2 339.459 1.035 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000373115441 446037571 /nfs/dbraw/zinc/03/75/71/446037571.db2.gz KPCVSWJNZBPYLX-MRXNPFEDSA-N 2 2 347.507 1.589 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000373115441 446037577 /nfs/dbraw/zinc/03/75/77/446037577.db2.gz KPCVSWJNZBPYLX-MRXNPFEDSA-N 2 2 347.507 1.589 20 0 EDADLP CNc1snc(C)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275213 446040679 /nfs/dbraw/zinc/04/06/79/446040679.db2.gz WNGAYLCPUMVOJD-LBPRGKRZSA-N 2 2 337.493 1.392 20 0 EDADLP CNc1snc(C)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275213 446040684 /nfs/dbraw/zinc/04/06/84/446040684.db2.gz WNGAYLCPUMVOJD-LBPRGKRZSA-N 2 2 337.493 1.392 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]([NH3+])c2cscn2)C[C@@H](C)O1 ZINC000583086204 325997422 /nfs/dbraw/zinc/99/74/22/325997422.db2.gz DUMVSIIPFANQLN-BZPMIXESSA-N 2 2 326.466 1.149 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356835281 446057325 /nfs/dbraw/zinc/05/73/25/446057325.db2.gz BNWNZUJZZVXXDY-HUUCEWRRSA-N 2 2 333.480 1.183 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356835281 446057330 /nfs/dbraw/zinc/05/73/30/446057330.db2.gz BNWNZUJZZVXXDY-HUUCEWRRSA-N 2 2 333.480 1.183 20 0 EDADLP CC1(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000583861120 326153843 /nfs/dbraw/zinc/15/38/43/326153843.db2.gz UWVJFAYYKHBTDN-KRWDZBQOSA-N 2 2 346.475 1.329 20 0 EDADLP CC1(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000583861120 326153845 /nfs/dbraw/zinc/15/38/45/326153845.db2.gz UWVJFAYYKHBTDN-KRWDZBQOSA-N 2 2 346.475 1.329 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000369325547 446074875 /nfs/dbraw/zinc/07/48/75/446074875.db2.gz VMNUKQTWWYSHKY-CVEARBPZSA-N 2 2 331.526 1.512 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000369325547 446074877 /nfs/dbraw/zinc/07/48/77/446074877.db2.gz VMNUKQTWWYSHKY-CVEARBPZSA-N 2 2 331.526 1.512 20 0 EDADLP CCS(=O)(=O)NCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000369325547 446074880 /nfs/dbraw/zinc/07/48/80/446074880.db2.gz VMNUKQTWWYSHKY-CVEARBPZSA-N 2 2 331.526 1.512 20 0 EDADLP CCS(=O)(=O)NCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000369325547 446074881 /nfs/dbraw/zinc/07/48/81/446074881.db2.gz VMNUKQTWWYSHKY-CVEARBPZSA-N 2 2 331.526 1.512 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000365223899 446086884 /nfs/dbraw/zinc/08/68/84/446086884.db2.gz WFEBZWBXINAYSU-HNNXBMFYSA-N 2 2 328.391 1.969 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000351515367 446117205 /nfs/dbraw/zinc/11/72/05/446117205.db2.gz BVCKBPFBLOSWJJ-WBVHZDCISA-N 2 2 339.480 1.251 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000351515367 446117208 /nfs/dbraw/zinc/11/72/08/446117208.db2.gz BVCKBPFBLOSWJJ-WBVHZDCISA-N 2 2 339.480 1.251 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000359283087 446118883 /nfs/dbraw/zinc/11/88/83/446118883.db2.gz JTAUOUPENFPFHT-NWANDNLSSA-N 2 2 335.423 1.332 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000361980085 446123720 /nfs/dbraw/zinc/12/37/20/446123720.db2.gz GTGPJNWBMXPREC-RDJZCZTQSA-N 2 2 326.448 1.784 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000361980085 446123724 /nfs/dbraw/zinc/12/37/24/446123724.db2.gz GTGPJNWBMXPREC-RDJZCZTQSA-N 2 2 326.448 1.784 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNc1cnccn1 ZINC000361980084 446124198 /nfs/dbraw/zinc/12/41/98/446124198.db2.gz GTGPJNWBMXPREC-NVXWUHKLSA-N 2 2 326.448 1.784 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNc1cnccn1 ZINC000361980084 446124202 /nfs/dbraw/zinc/12/42/02/446124202.db2.gz 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446181448 /nfs/dbraw/zinc/18/14/48/446181448.db2.gz LYZGXJNLNUVKLA-PKOBYXMFSA-N 2 2 345.487 1.199 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1C ZINC000369681009 446145688 /nfs/dbraw/zinc/14/56/88/446145688.db2.gz GWQVHALOSLDTBF-MRXNPFEDSA-N 2 2 331.464 1.110 20 0 EDADLP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000369739210 446150372 /nfs/dbraw/zinc/15/03/72/446150372.db2.gz ODICIWBBAYDKPH-ZMSDIMECSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000369739210 446150380 /nfs/dbraw/zinc/15/03/80/446150380.db2.gz ODICIWBBAYDKPH-ZMSDIMECSA-N 2 2 338.496 1.364 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366326604 446152773 /nfs/dbraw/zinc/15/27/73/446152773.db2.gz RBCJEZOIJXQSLW-GOSISDBHSA-N 3 2 338.540 1.769 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCCCC[NH+]1CCOCC1 ZINC000365407951 446192318 /nfs/dbraw/zinc/19/23/18/446192318.db2.gz 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CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366471904 446228621 /nfs/dbraw/zinc/22/86/21/446228621.db2.gz KPAXXRDIQVPJCB-NVXWUHKLSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373500726 446239402 /nfs/dbraw/zinc/23/94/02/446239402.db2.gz GABFNZDKJBOAIG-UXLLHSPISA-N 2 2 335.492 1.619 20 0 EDADLP C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373500726 446239408 /nfs/dbraw/zinc/23/94/08/446239408.db2.gz GABFNZDKJBOAIG-UXLLHSPISA-N 2 2 335.492 1.619 20 0 EDADLP CN(C(=O)NCc1cccn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373503986 446240368 /nfs/dbraw/zinc/24/03/68/446240368.db2.gz HOJIPCNWYJMWCG-KRWDZBQOSA-N 2 2 333.480 1.335 20 0 EDADLP CN(C(=O)NCc1cccn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373503986 446240369 /nfs/dbraw/zinc/24/03/69/446240369.db2.gz HOJIPCNWYJMWCG-KRWDZBQOSA-N 2 2 333.480 1.335 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)NCc1ccc(F)cc1 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/nfs/dbraw/zinc/29/98/93/446299893.db2.gz ZPYIUURBIINSDJ-GOSISDBHSA-N 2 2 332.492 1.261 20 0 EDADLP CN(CCCNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)CC[NH+](C)C ZINC000365684186 446299895 /nfs/dbraw/zinc/29/98/95/446299895.db2.gz ZPYIUURBIINSDJ-GOSISDBHSA-N 2 2 332.492 1.261 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+]C2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C1 ZINC000373697247 446306562 /nfs/dbraw/zinc/30/65/62/446306562.db2.gz PLORGMZWAHQIEW-IAGOWNOFSA-N 2 2 344.521 1.169 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCSC(C)(C)C ZINC000370508386 446310649 /nfs/dbraw/zinc/31/06/49/446310649.db2.gz ONAVNKGIUBLTMQ-CVEARBPZSA-N 2 2 329.554 1.855 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCSC(C)(C)C ZINC000370508386 446310651 /nfs/dbraw/zinc/31/06/51/446310651.db2.gz ONAVNKGIUBLTMQ-CVEARBPZSA-N 2 2 329.554 1.855 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCSC(C)(C)C ZINC000370508386 446310655 /nfs/dbraw/zinc/31/06/55/446310655.db2.gz ONAVNKGIUBLTMQ-CVEARBPZSA-N 2 2 329.554 1.855 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCSC(C)(C)C ZINC000370508386 446310659 /nfs/dbraw/zinc/31/06/59/446310659.db2.gz ONAVNKGIUBLTMQ-CVEARBPZSA-N 2 2 329.554 1.855 20 0 EDADLP CO[C@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000365722867 446315962 /nfs/dbraw/zinc/31/59/62/446315962.db2.gz ZDMVPZCSHCCBQZ-QGZVFWFLSA-N 2 2 340.512 1.515 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)CO[C@@H](C)COC)C1 ZINC000365731135 446319879 /nfs/dbraw/zinc/31/98/79/446319879.db2.gz CBMQCTHFQFVMED-XHSDSOJGSA-N 2 2 325.453 1.495 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)CO[C@@H](C)COC)C1 ZINC000365731135 446319882 /nfs/dbraw/zinc/31/98/82/446319882.db2.gz CBMQCTHFQFVMED-XHSDSOJGSA-N 2 2 325.453 1.495 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000366773928 446345128 /nfs/dbraw/zinc/34/51/28/446345128.db2.gz QWIAGUUEHAUORH-CVEARBPZSA-N 2 2 333.480 1.897 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000366773928 446345133 /nfs/dbraw/zinc/34/51/33/446345133.db2.gz QWIAGUUEHAUORH-CVEARBPZSA-N 2 2 333.480 1.897 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)nc[nH+]2)C1 ZINC000373672705 446297677 /nfs/dbraw/zinc/29/76/77/446297677.db2.gz JEBJDLGDJMVVKC-PMPSAXMXSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)nc[nH+]2)C1 ZINC000373672705 446297683 /nfs/dbraw/zinc/29/76/83/446297683.db2.gz JEBJDLGDJMVVKC-PMPSAXMXSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)[nH+]cn2)C1 ZINC000373672705 446297686 /nfs/dbraw/zinc/29/76/86/446297686.db2.gz JEBJDLGDJMVVKC-PMPSAXMXSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]cn2)C1 ZINC000373672705 446297692 /nfs/dbraw/zinc/29/76/92/446297692.db2.gz JEBJDLGDJMVVKC-PMPSAXMXSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000365839168 446364609 /nfs/dbraw/zinc/36/46/09/446364609.db2.gz QMKZPRINZFUURW-GDBMZVCRSA-N 2 2 332.448 1.472 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417657774 446367879 /nfs/dbraw/zinc/36/78/79/446367879.db2.gz IHZCZDFIIXGQAC-XUJVJEKNSA-N 2 2 340.418 1.946 20 0 EDADLP NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000365881989 446385261 /nfs/dbraw/zinc/38/52/61/446385261.db2.gz APQXDHSXNXRHQV-OAGGEKHMSA-N 2 2 325.416 1.886 20 0 EDADLP NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000365881989 446385266 /nfs/dbraw/zinc/38/52/66/446385266.db2.gz APQXDHSXNXRHQV-OAGGEKHMSA-N 2 2 325.416 1.886 20 0 EDADLP CCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000370683498 446385740 /nfs/dbraw/zinc/38/57/40/446385740.db2.gz VWHNYGYYOMGPNM-ZWKOTPCHSA-N 2 2 336.501 1.875 20 0 EDADLP CCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000370683498 446385744 /nfs/dbraw/zinc/38/57/44/446385744.db2.gz VWHNYGYYOMGPNM-ZWKOTPCHSA-N 2 2 336.501 1.875 20 0 EDADLP CCS(=O)(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370683498 446385747 /nfs/dbraw/zinc/38/57/47/446385747.db2.gz VWHNYGYYOMGPNM-ZWKOTPCHSA-N 2 2 336.501 1.875 20 0 EDADLP CCS(=O)(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370683498 446385750 /nfs/dbraw/zinc/38/57/50/446385750.db2.gz VWHNYGYYOMGPNM-ZWKOTPCHSA-N 2 2 336.501 1.875 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1O ZINC000370709435 446398070 /nfs/dbraw/zinc/39/80/70/446398070.db2.gz RHSNAFJNHAYSHG-WBVHZDCISA-N 2 2 333.476 1.859 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1O ZINC000370709435 446398076 /nfs/dbraw/zinc/39/80/76/446398076.db2.gz RHSNAFJNHAYSHG-WBVHZDCISA-N 2 2 333.476 1.859 20 0 EDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000420287952 446452826 /nfs/dbraw/zinc/45/28/26/446452826.db2.gz GTNOWWDXKZYZQE-SNVBAGLBSA-N 2 2 331.247 1.675 20 0 EDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000420287952 446452831 /nfs/dbraw/zinc/45/28/31/446452831.db2.gz GTNOWWDXKZYZQE-SNVBAGLBSA-N 2 2 331.247 1.675 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420282681 446449720 /nfs/dbraw/zinc/44/97/20/446449720.db2.gz BAEUMHJHUBFLKO-QZTJIDSGSA-N 3 2 334.508 1.711 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000370764013 446423482 /nfs/dbraw/zinc/42/34/82/446423482.db2.gz SYNFVHMHPVGGHS-AHIWAGSCSA-N 2 2 336.411 1.013 20 0 EDADLP C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374909839 446452227 /nfs/dbraw/zinc/45/22/27/446452227.db2.gz IZYCIXLVXJTNTG-SJLPKXTDSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374909839 446452232 /nfs/dbraw/zinc/45/22/32/446452232.db2.gz IZYCIXLVXJTNTG-SJLPKXTDSA-N 2 2 331.460 1.613 20 0 EDADLP CC[NH+]1CCC([N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C2CC2)CC1 ZINC000367007095 446458577 /nfs/dbraw/zinc/45/85/77/446458577.db2.gz MKJAFJWQCBGWMD-UHFFFAOYSA-N 2 2 348.491 1.800 20 0 EDADLP CC[NH+]1CCC([N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C2CC2)CC1 ZINC000367007095 446458584 /nfs/dbraw/zinc/45/85/84/446458584.db2.gz MKJAFJWQCBGWMD-UHFFFAOYSA-N 2 2 348.491 1.800 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420300867 446463199 /nfs/dbraw/zinc/46/31/99/446463199.db2.gz VJSNYNWACASBFU-RYUDHWBXSA-N 2 2 339.461 1.841 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420300867 446463204 /nfs/dbraw/zinc/46/32/04/446463204.db2.gz VJSNYNWACASBFU-RYUDHWBXSA-N 2 2 339.461 1.841 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)[nH+]1 ZINC000411289900 446469549 /nfs/dbraw/zinc/46/95/49/446469549.db2.gz HRIFXUOBEWOAJJ-OCCSQVGLSA-N 2 2 330.432 1.687 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)[nH+]1 ZINC000411289900 446469555 /nfs/dbraw/zinc/46/95/55/446469555.db2.gz HRIFXUOBEWOAJJ-OCCSQVGLSA-N 2 2 330.432 1.687 20 0 EDADLP C[NH2+]CCCNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000418275186 446481721 /nfs/dbraw/zinc/48/17/21/446481721.db2.gz CDUFCOSPYXPWSD-KBPBESRZSA-N 2 2 341.431 1.146 20 0 EDADLP C[NH2+]CCCNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000418275186 446481726 /nfs/dbraw/zinc/48/17/26/446481726.db2.gz CDUFCOSPYXPWSD-KBPBESRZSA-N 2 2 341.431 1.146 20 0 EDADLP C[C@H]1C[N@H+](Cc2cn3cccnc3n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030750 446475628 /nfs/dbraw/zinc/47/56/28/446475628.db2.gz RZWLYCDZXISMRT-RDJZCZTQSA-N 2 2 328.464 1.187 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cn3cccnc3n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030750 446475638 /nfs/dbraw/zinc/47/56/38/446475638.db2.gz RZWLYCDZXISMRT-RDJZCZTQSA-N 2 2 328.464 1.187 20 0 EDADLP CN(C(=O)c1ccc2nccn2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370842368 446475831 /nfs/dbraw/zinc/47/58/31/446475831.db2.gz PKAYRZCHXACWNS-KRWDZBQOSA-N 2 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1ccc2nccn2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370842368 446475838 /nfs/dbraw/zinc/47/58/38/446475838.db2.gz PKAYRZCHXACWNS-KRWDZBQOSA-N 2 2 341.459 1.575 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2cscn2)C[C@H](C)O1 ZINC000423301230 446478081 /nfs/dbraw/zinc/47/80/81/446478081.db2.gz GQVAHHDJVWJAGB-LOWVWBTDSA-N 2 2 326.466 1.147 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2cscn2)C[C@H](C)O1 ZINC000423301230 446478087 /nfs/dbraw/zinc/47/80/87/446478087.db2.gz GQVAHHDJVWJAGB-LOWVWBTDSA-N 2 2 326.466 1.147 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411321180 446491521 /nfs/dbraw/zinc/49/15/21/446491521.db2.gz HENCTTFFDHTJEH-OKZBNKHCSA-N 2 2 331.435 1.920 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411321180 446491526 /nfs/dbraw/zinc/49/15/26/446491526.db2.gz HENCTTFFDHTJEH-OKZBNKHCSA-N 2 2 331.435 1.920 20 0 EDADLP COCC[NH2+]CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000423343342 446496825 /nfs/dbraw/zinc/49/68/25/446496825.db2.gz VYOVIPGALDPYDI-IAGOWNOFSA-N 2 2 341.883 1.537 20 0 EDADLP COCC[NH2+]CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000423343342 446496831 /nfs/dbraw/zinc/49/68/31/446496831.db2.gz VYOVIPGALDPYDI-IAGOWNOFSA-N 2 2 341.883 1.537 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418472946 446558549 /nfs/dbraw/zinc/55/85/49/446558549.db2.gz NYOUJCPKYXELAH-IHRRRGAJSA-N 2 2 342.484 1.897 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418472946 446558556 /nfs/dbraw/zinc/55/85/56/446558556.db2.gz NYOUJCPKYXELAH-IHRRRGAJSA-N 2 2 342.484 1.897 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000420387828 446563385 /nfs/dbraw/zinc/56/33/85/446563385.db2.gz WPLUGRYDUTYKHO-DZGCQCFKSA-N 2 2 332.448 1.244 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000420387828 446563390 /nfs/dbraw/zinc/56/33/90/446563390.db2.gz WPLUGRYDUTYKHO-DZGCQCFKSA-N 2 2 332.448 1.244 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C[NH3+])C2CCCCC2)CCO1 ZINC000418371911 446517884 /nfs/dbraw/zinc/51/78/84/446517884.db2.gz YAMBSBWGAJJRDE-HZPDHXFCSA-N 2 2 326.485 1.304 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C[NH3+])C2CCCCC2)CCO1 ZINC000418371911 446517887 /nfs/dbraw/zinc/51/78/87/446517887.db2.gz YAMBSBWGAJJRDE-HZPDHXFCSA-N 2 2 326.485 1.304 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411400435 446518909 /nfs/dbraw/zinc/51/89/09/446518909.db2.gz NTMRFWANOQPSBI-MRXNPFEDSA-N 2 2 343.406 1.487 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420352541 446531702 /nfs/dbraw/zinc/53/17/02/446531702.db2.gz ASEIWNZKQSGSQH-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420352541 446531709 /nfs/dbraw/zinc/53/17/09/446531709.db2.gz ASEIWNZKQSGSQH-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CCOC ZINC000367342723 446536975 /nfs/dbraw/zinc/53/69/75/446536975.db2.gz PUXHTKLHPGTNAU-CVEARBPZSA-N 2 2 334.464 1.720 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC[N@H+]1CCOC ZINC000367342723 446536981 /nfs/dbraw/zinc/53/69/81/446536981.db2.gz PUXHTKLHPGTNAU-CVEARBPZSA-N 2 2 334.464 1.720 20 0 EDADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000411428850 446538125 /nfs/dbraw/zinc/53/81/25/446538125.db2.gz PQVVYHBTYWSOQR-NEPJUHHUSA-N 2 2 332.370 1.742 20 0 EDADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000411428850 446538131 /nfs/dbraw/zinc/53/81/31/446538131.db2.gz PQVVYHBTYWSOQR-NEPJUHHUSA-N 2 2 332.370 1.742 20 0 EDADLP CC(C)c1ccc([C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C(C)C)cc1 ZINC000420358709 446540086 /nfs/dbraw/zinc/54/00/86/446540086.db2.gz ULQAOWZWVZGSFK-PKOBYXMFSA-N 2 2 335.492 1.875 20 0 EDADLP CC(C)c1ccc([C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C(C)C)cc1 ZINC000420358709 446540089 /nfs/dbraw/zinc/54/00/89/446540089.db2.gz ULQAOWZWVZGSFK-PKOBYXMFSA-N 2 2 335.492 1.875 20 0 EDADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000420362912 446541954 /nfs/dbraw/zinc/54/19/54/446541954.db2.gz ZTUSKQYGMPVRDX-ZWNOBZJWSA-N 2 2 332.231 1.350 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000420362912 446541964 /nfs/dbraw/zinc/54/19/64/446541964.db2.gz ZTUSKQYGMPVRDX-ZWNOBZJWSA-N 2 2 332.231 1.350 20 0 EDADLP CCCCNc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc(N)[nH+]1 ZINC000367420425 446543613 /nfs/dbraw/zinc/54/36/13/446543613.db2.gz RAWVXORXMFOIQZ-KBPBESRZSA-N 2 2 334.468 1.306 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418438128 446544108 /nfs/dbraw/zinc/54/41/08/446544108.db2.gz IULBHHAWPSAPIG-CQSZACIVSA-N 2 2 339.509 1.734 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418438128 446544110 /nfs/dbraw/zinc/54/41/10/446544110.db2.gz IULBHHAWPSAPIG-CQSZACIVSA-N 2 2 339.509 1.734 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(-c2ccccc2)nn1C ZINC000453104010 446546671 /nfs/dbraw/zinc/54/66/71/446546671.db2.gz BVQAUZUGKQESGT-WBVHZDCISA-N 2 2 327.476 1.984 20 0 EDADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)NC(=O)Nc1ccccc1F ZINC000420381740 446557305 /nfs/dbraw/zinc/55/73/05/446557305.db2.gz ZJDSLZFIKISMSM-OZTPJHRESA-N 2 2 336.411 1.838 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC000420381823 446557492 /nfs/dbraw/zinc/55/74/92/446557492.db2.gz PDXGALUOXYWFGY-DZGCQCFKSA-N 2 2 332.448 1.868 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(C)c1 ZINC000420381823 446557493 /nfs/dbraw/zinc/55/74/93/446557493.db2.gz PDXGALUOXYWFGY-DZGCQCFKSA-N 2 2 332.448 1.868 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000420393366 446569185 /nfs/dbraw/zinc/56/91/85/446569185.db2.gz XQQGCBFRSNMEQE-CQSZACIVSA-N 2 2 332.448 1.682 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000420393366 446569186 /nfs/dbraw/zinc/56/91/86/446569186.db2.gz XQQGCBFRSNMEQE-CQSZACIVSA-N 2 2 332.448 1.682 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420397703 446571506 /nfs/dbraw/zinc/57/15/06/446571506.db2.gz XXEFPQXBTZXUHH-GOSISDBHSA-N 2 2 349.475 1.277 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420397703 446571515 /nfs/dbraw/zinc/57/15/15/446571515.db2.gz XXEFPQXBTZXUHH-GOSISDBHSA-N 2 2 349.475 1.277 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(C)o1 ZINC000411511697 446579144 /nfs/dbraw/zinc/57/91/44/446579144.db2.gz JQZPTCPXNQDQHC-MRXNPFEDSA-N 2 2 337.464 1.854 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420412404 446586346 /nfs/dbraw/zinc/58/63/46/446586346.db2.gz ZBECLPULVYXZAE-NVXWUHKLSA-N 2 2 345.443 1.876 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420412404 446586354 /nfs/dbraw/zinc/58/63/54/446586354.db2.gz ZBECLPULVYXZAE-NVXWUHKLSA-N 2 2 345.443 1.876 20 0 EDADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423589077 446591296 /nfs/dbraw/zinc/59/12/96/446591296.db2.gz HLSQPNHXUDPQCR-SFHVURJKSA-N 2 2 329.444 1.407 20 0 EDADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423589077 446591307 /nfs/dbraw/zinc/59/13/07/446591307.db2.gz HLSQPNHXUDPQCR-SFHVURJKSA-N 2 2 329.444 1.407 20 0 EDADLP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)C(=O)OCC ZINC000411653119 446636051 /nfs/dbraw/zinc/63/60/51/446636051.db2.gz WBBWXNWRCQLDEK-OAHLLOKOSA-N 2 2 341.496 1.639 20 0 EDADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)C(=O)OCC ZINC000411653119 446636057 /nfs/dbraw/zinc/63/60/57/446636057.db2.gz WBBWXNWRCQLDEK-OAHLLOKOSA-N 2 2 341.496 1.639 20 0 EDADLP CCCOCC(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000376687334 446651780 /nfs/dbraw/zinc/65/17/80/446651780.db2.gz HHBPIPOIQQNSSI-HNNXBMFYSA-N 2 2 334.464 1.800 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)CC1 ZINC000411736020 446663958 /nfs/dbraw/zinc/66/39/58/446663958.db2.gz XYJVKNRWDQUUQC-UHFFFAOYSA-N 2 2 328.460 1.771 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC=C(c3cccnc3)C2)CC1 ZINC000411736020 446663964 /nfs/dbraw/zinc/66/39/64/446663964.db2.gz XYJVKNRWDQUUQC-UHFFFAOYSA-N 2 2 328.460 1.771 20 0 EDADLP C[C@H]1CN(C(=O)C[C@H](O)CC(C)(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368144342 446668165 /nfs/dbraw/zinc/66/81/65/446668165.db2.gz UNMUGJSWPWJOSC-RDJZCZTQSA-N 2 2 339.524 1.801 20 0 EDADLP C[C@H]1CN(C(=O)C[C@H](O)CC(C)(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368144342 446668170 /nfs/dbraw/zinc/66/81/70/446668170.db2.gz UNMUGJSWPWJOSC-RDJZCZTQSA-N 2 2 339.524 1.801 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000423744311 446674531 /nfs/dbraw/zinc/67/45/31/446674531.db2.gz NSSLIWBEZKQBGB-RHSMWYFYSA-N 2 2 335.423 1.409 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000423748779 446677937 /nfs/dbraw/zinc/67/79/37/446677937.db2.gz BDSKCCAJFJEKSM-YOEHRIQHSA-N 2 2 337.489 1.546 20 0 EDADLP C[C@H]1CC[C@]2(CC[N@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000368076711 446625639 /nfs/dbraw/zinc/62/56/39/446625639.db2.gz RBEXSOHRIQCDHA-LPHOPBHVSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@H]1CC[C@]2(CC[N@@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000368076711 446625645 /nfs/dbraw/zinc/62/56/45/446625645.db2.gz RBEXSOHRIQCDHA-LPHOPBHVSA-N 2 2 337.508 1.726 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418772883 446690894 /nfs/dbraw/zinc/69/08/94/446690894.db2.gz UXFFHRGPIQUXSD-OAHLLOKOSA-N 2 2 346.466 1.995 20 0 EDADLP C[C@H]1CN(Cc2cn3ccccc3n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368206375 446708837 /nfs/dbraw/zinc/70/88/37/446708837.db2.gz ZSXPBVVPIJZEMQ-INIZCTEOSA-N 2 2 327.476 1.935 20 0 EDADLP C[C@H]1CN(Cc2cn3ccccc3n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368206375 446708844 /nfs/dbraw/zinc/70/88/44/446708844.db2.gz ZSXPBVVPIJZEMQ-INIZCTEOSA-N 2 2 327.476 1.935 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423821291 446711258 /nfs/dbraw/zinc/71/12/58/446711258.db2.gz HJCPKEUIOLFQHY-FGEZKYSXSA-N 2 2 329.366 1.950 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423821291 446711264 /nfs/dbraw/zinc/71/12/64/446711264.db2.gz HJCPKEUIOLFQHY-FGEZKYSXSA-N 2 2 329.366 1.950 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423822040 446712245 /nfs/dbraw/zinc/71/22/45/446712245.db2.gz IGPKGJMGIMARJR-IPOQPSJVSA-N 2 2 337.851 1.578 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423822040 446712249 /nfs/dbraw/zinc/71/22/49/446712249.db2.gz IGPKGJMGIMARJR-IPOQPSJVSA-N 2 2 337.851 1.578 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC000376783749 446716187 /nfs/dbraw/zinc/71/61/87/446716187.db2.gz YTCUWZFPNATAGK-HNNXBMFYSA-N 2 2 333.480 1.402 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000376783749 446716195 /nfs/dbraw/zinc/71/61/95/446716195.db2.gz YTCUWZFPNATAGK-HNNXBMFYSA-N 2 2 333.480 1.402 20 0 EDADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000423828589 446717528 /nfs/dbraw/zinc/71/75/28/446717528.db2.gz RXOJXGGTDOOGKT-UHFFFAOYSA-N 2 2 342.443 1.751 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371287844 446746944 /nfs/dbraw/zinc/74/69/44/446746944.db2.gz UIWUNXPGWORXCG-JKSUJKDBSA-N 2 2 342.443 1.714 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371287844 446746949 /nfs/dbraw/zinc/74/69/49/446746949.db2.gz UIWUNXPGWORXCG-JKSUJKDBSA-N 2 2 342.443 1.714 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCc1ccc(F)cc1 ZINC000371289250 446747245 /nfs/dbraw/zinc/74/72/45/446747245.db2.gz JFLQCOJFZLMJOB-KZNAEPCWSA-N 2 2 349.450 1.625 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCc1ccc(F)cc1 ZINC000371289250 446747253 /nfs/dbraw/zinc/74/72/53/446747253.db2.gz JFLQCOJFZLMJOB-KZNAEPCWSA-N 2 2 349.450 1.625 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000423910316 446759615 /nfs/dbraw/zinc/75/96/15/446759615.db2.gz FSFXLGOPHUNUPY-BPUTZDHNSA-N 2 2 339.459 1.179 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000423910316 446759617 /nfs/dbraw/zinc/75/96/17/446759617.db2.gz FSFXLGOPHUNUPY-BPUTZDHNSA-N 2 2 339.459 1.179 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000423919404 446768967 /nfs/dbraw/zinc/76/89/67/446768967.db2.gz QILSQULZZOJAFO-OBJOEFQTSA-N 2 2 343.493 1.781 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000423919404 446768970 /nfs/dbraw/zinc/76/89/70/446768970.db2.gz QILSQULZZOJAFO-OBJOEFQTSA-N 2 2 343.493 1.781 20 0 EDADLP C[NH+](C)CCCCCCCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368305336 446772601 /nfs/dbraw/zinc/77/26/01/446772601.db2.gz URSYAJAJJYDKCW-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](C)CCCCCCCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368305336 446772605 /nfs/dbraw/zinc/77/26/05/446772605.db2.gz URSYAJAJJYDKCW-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP OC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCOC1 ZINC000411990328 446775703 /nfs/dbraw/zinc/77/57/03/446775703.db2.gz RDAHEIMCWSUXHX-AZUAARDMSA-N 2 2 347.503 1.576 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368308352 446776304 /nfs/dbraw/zinc/77/63/04/446776304.db2.gz SCCXMEUOCAYVSQ-KRWDZBQOSA-N 2 2 336.480 1.023 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368308352 446776314 /nfs/dbraw/zinc/77/63/14/446776314.db2.gz SCCXMEUOCAYVSQ-KRWDZBQOSA-N 2 2 336.480 1.023 20 0 EDADLP Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@H](C)N2CC[NH+](C)CC2)[nH+]1 ZINC000368316141 446781196 /nfs/dbraw/zinc/78/11/96/446781196.db2.gz OAINOBSKRIVLIL-IRXDYDNUSA-N 2 2 345.491 1.429 20 0 EDADLP Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@H](C)[NH+]2CCN(C)CC2)[nH+]1 ZINC000368316141 446781199 /nfs/dbraw/zinc/78/11/99/446781199.db2.gz OAINOBSKRIVLIL-IRXDYDNUSA-N 2 2 345.491 1.429 20 0 EDADLP C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000412028964 446792773 /nfs/dbraw/zinc/79/27/73/446792773.db2.gz BXTJVDRIRCVKEV-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000412028964 446792776 /nfs/dbraw/zinc/79/27/76/446792776.db2.gz BXTJVDRIRCVKEV-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000376915081 446794658 /nfs/dbraw/zinc/79/46/58/446794658.db2.gz AXMCFTJMJDHMKY-QGZVFWFLSA-N 2 2 348.495 1.672 20 0 EDADLP COCC[C@](C)(O)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000368253374 446741524 /nfs/dbraw/zinc/74/15/24/446741524.db2.gz LPNXYKQZNPBVAN-INIZCTEOSA-N 2 2 327.494 1.787 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000454224900 446814076 /nfs/dbraw/zinc/81/40/76/446814076.db2.gz JJXATRFRAJHYDN-IYBDPMFKSA-N 2 2 334.464 1.997 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000454224900 446814082 /nfs/dbraw/zinc/81/40/82/446814082.db2.gz JJXATRFRAJHYDN-IYBDPMFKSA-N 2 2 334.464 1.997 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000423978259 446803611 /nfs/dbraw/zinc/80/36/11/446803611.db2.gz OFUQHOFMDUKQDK-JKIFEVAISA-N 2 2 334.439 1.142 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000368424001 446853713 /nfs/dbraw/zinc/85/37/13/446853713.db2.gz GPXHXMBIWOSEFP-UXLLHSPISA-N 2 2 349.479 1.835 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000368424001 446853718 /nfs/dbraw/zinc/85/37/18/446853718.db2.gz GPXHXMBIWOSEFP-UXLLHSPISA-N 2 2 349.479 1.835 20 0 EDADLP CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420897896 446875676 /nfs/dbraw/zinc/87/56/76/446875676.db2.gz BNJATKLMAQVFLP-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420897896 446875679 /nfs/dbraw/zinc/87/56/79/446875679.db2.gz BNJATKLMAQVFLP-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP C[NH+]1CCN(C(=O)CN2CCC[N@H+](Cc3ccccc3F)CC2)CC1 ZINC000368467086 446880213 /nfs/dbraw/zinc/88/02/13/446880213.db2.gz PTHHHOUUSWKJCV-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP C[NH+]1CCN(C(=O)CN2CCC[N@@H+](Cc3ccccc3F)CC2)CC1 ZINC000368467086 446880222 /nfs/dbraw/zinc/88/02/22/446880222.db2.gz PTHHHOUUSWKJCV-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(Cc3ccccc3F)CC2)CC1 ZINC000368467086 446880227 /nfs/dbraw/zinc/88/02/27/446880227.db2.gz PTHHHOUUSWKJCV-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(Cc3ccccc3F)CC2)CC1 ZINC000368467086 446880234 /nfs/dbraw/zinc/88/02/34/446880234.db2.gz PTHHHOUUSWKJCV-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP CC(=O)N1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC000420930929 446902325 /nfs/dbraw/zinc/90/23/25/446902325.db2.gz FMSZYSCFYGJNBD-INIZCTEOSA-N 2 2 331.460 1.571 20 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0 EDADLP NC(=O)C[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000377603673 447238146 /nfs/dbraw/zinc/23/81/46/447238146.db2.gz PRCWWZHPCGRAEZ-KRWDZBQOSA-N 2 2 330.476 1.396 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[NH+](Cc2cccnc2)CC1 ZINC000377685589 447294491 /nfs/dbraw/zinc/29/44/91/447294491.db2.gz ZVLRRIXCXSAFHH-MRXNPFEDSA-N 2 2 325.416 1.500 20 0 EDADLP CC(C)n1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nn1 ZINC000377702447 447303999 /nfs/dbraw/zinc/30/39/99/447303999.db2.gz VEWYXTJYOQXIEY-UHFFFAOYSA-N 2 2 334.512 1.709 20 0 EDADLP O[C@@H](CNC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000379639213 447453974 /nfs/dbraw/zinc/45/39/74/447453974.db2.gz APWIRDNJZZDSLX-UXHICEINSA-N 2 2 347.503 1.324 20 0 EDADLP O[C@@H](CNC[C@H]1CCCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000379639213 447453979 /nfs/dbraw/zinc/45/39/79/447453979.db2.gz APWIRDNJZZDSLX-UXHICEINSA-N 2 2 347.503 1.324 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c[nH+]c1N1CCCC[C@@H]1C ZINC000415465088 447456917 /nfs/dbraw/zinc/45/69/17/447456917.db2.gz RSCNLSUJZUAWCL-OFQRWUPVSA-N 2 2 347.463 1.471 20 0 EDADLP C[C@H](CNc1nc(N(C)C)c2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000450351190 447464432 /nfs/dbraw/zinc/46/44/32/447464432.db2.gz ZCHXWSTYSDXTJW-CQSZACIVSA-N 2 2 329.448 2.076 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cn3ccccc3[nH+]1)C2=O ZINC000391731367 447517073 /nfs/dbraw/zinc/51/70/73/447517073.db2.gz VLAWBSQMSKJFTG-YVEFUNNKSA-N 2 2 327.388 1.274 20 0 EDADLP O=C(COc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCC1CC1 ZINC000427107211 447545241 /nfs/dbraw/zinc/54/52/41/447545241.db2.gz IRCOSHSEUXYKMH-SJLPKXTDSA-N 2 2 343.471 1.775 20 0 EDADLP O=C(COc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCC1CC1 ZINC000427107211 447545251 /nfs/dbraw/zinc/54/52/51/447545251.db2.gz IRCOSHSEUXYKMH-SJLPKXTDSA-N 2 2 343.471 1.775 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000416298384 447559370 /nfs/dbraw/zinc/55/93/70/447559370.db2.gz QSHHYMQARZCUGS-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000416298384 447559375 /nfs/dbraw/zinc/55/93/75/447559375.db2.gz QSHHYMQARZCUGS-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000416298384 447559381 /nfs/dbraw/zinc/55/93/81/447559381.db2.gz QSHHYMQARZCUGS-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000416298384 447559387 /nfs/dbraw/zinc/55/93/87/447559387.db2.gz QSHHYMQARZCUGS-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(CC3CC3)nn2)[C@H](C)C1 ZINC000450761316 447566368 /nfs/dbraw/zinc/56/63/68/447566368.db2.gz RCGJZOOBFBEHOM-CRAIPNDOSA-N 2 2 335.496 1.915 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(CC3CC3)nn2)[C@H](C)C1 ZINC000450761316 447566373 /nfs/dbraw/zinc/56/63/73/447566373.db2.gz RCGJZOOBFBEHOM-CRAIPNDOSA-N 2 2 335.496 1.915 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C[NH3+] ZINC000405344276 447610078 /nfs/dbraw/zinc/61/00/78/447610078.db2.gz PFEJIYPQPKAUAJ-IUODEOHRSA-N 2 2 325.840 1.883 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C)C[C@H]1C[NH3+] ZINC000405344276 447610083 /nfs/dbraw/zinc/61/00/83/447610083.db2.gz PFEJIYPQPKAUAJ-IUODEOHRSA-N 2 2 325.840 1.883 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407248253 447614456 /nfs/dbraw/zinc/61/44/56/447614456.db2.gz CYQQOUNCRHPRRX-MSOLQXFVSA-N 2 2 329.444 1.988 20 0 EDADLP Cc1nnc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)[nH]1 ZINC000428376215 447693697 /nfs/dbraw/zinc/69/36/97/447693697.db2.gz UTYNDVDCDPOMNZ-UHFFFAOYSA-N 2 2 348.495 1.317 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC000459570752 447709090 /nfs/dbraw/zinc/70/90/90/447709090.db2.gz NQRGGGGAGWKISQ-MJGOQNOKSA-N 2 2 347.503 1.848 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC000459570752 447709096 /nfs/dbraw/zinc/70/90/96/447709096.db2.gz NQRGGGGAGWKISQ-MJGOQNOKSA-N 2 2 347.503 1.848 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000416868106 447699355 /nfs/dbraw/zinc/69/93/55/447699355.db2.gz DWBXHSZEZGAAGZ-AWEZNQCLSA-N 2 2 332.439 1.652 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416909880 447705410 /nfs/dbraw/zinc/70/54/10/447705410.db2.gz AHYKOEZEWMSSSA-HZPDHXFCSA-N 2 2 347.463 1.235 20 0 EDADLP COc1ccc([C@H](NC(=O)N2CCC[C@@H]2C[NH3+])c2[nH+]ccn2C)cc1 ZINC000416914586 447707881 /nfs/dbraw/zinc/70/78/81/447707881.db2.gz WXJGGNFOMHEGAG-ZBFHGGJFSA-N 2 2 343.431 1.651 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422635275 447681871 /nfs/dbraw/zinc/68/18/71/447681871.db2.gz LFUCGNCCFKVZJU-IPYPFGDCSA-N 2 2 332.448 1.889 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422635275 447681875 /nfs/dbraw/zinc/68/18/75/447681875.db2.gz LFUCGNCCFKVZJU-IPYPFGDCSA-N 2 2 332.448 1.889 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1C[NH3+] ZINC000422638307 447683455 /nfs/dbraw/zinc/68/34/55/447683455.db2.gz QBVCPCPXDFGAEU-MGPQQGTHSA-N 2 2 330.432 1.277 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@H]1C[NH3+] ZINC000422638307 447683460 /nfs/dbraw/zinc/68/34/60/447683460.db2.gz QBVCPCPXDFGAEU-MGPQQGTHSA-N 2 2 330.432 1.277 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416925450 447711246 /nfs/dbraw/zinc/71/12/46/447711246.db2.gz YKTZIFWXGCRBBS-UHFFFAOYSA-N 2 2 327.432 1.873 20 0 EDADLP COc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(OC)c1OC ZINC000422697171 447718963 /nfs/dbraw/zinc/71/89/63/447718963.db2.gz UDGSHZHRLKDSDI-HOTGVXAUSA-N 2 2 336.432 1.569 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000416945067 447720246 /nfs/dbraw/zinc/72/02/46/447720246.db2.gz VYHKBLZQBAEXOE-HOCLYGCPSA-N 2 2 331.464 1.951 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000458171012 447734818 /nfs/dbraw/zinc/73/48/18/447734818.db2.gz IPJRKXPZNRJDIL-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000458171012 447734823 /nfs/dbraw/zinc/73/48/23/447734823.db2.gz IPJRKXPZNRJDIL-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000458171012 447734827 /nfs/dbraw/zinc/73/48/27/447734827.db2.gz IPJRKXPZNRJDIL-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000458171012 447734829 /nfs/dbraw/zinc/73/48/29/447734829.db2.gz IPJRKXPZNRJDIL-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1nc(NC2CC[NH+](Cc3cccnc3)CC2)nc(N(C)C)[nH+]1 ZINC000429311746 447738746 /nfs/dbraw/zinc/73/87/46/447738746.db2.gz NJKVSVLSCLTLCI-UHFFFAOYSA-N 2 2 327.436 1.718 20 0 EDADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422759029 447741385 /nfs/dbraw/zinc/74/13/85/447741385.db2.gz FJSDRZQIPFTCHZ-MSOLQXFVSA-N 2 2 336.432 1.569 20 0 EDADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1(N2CCOCC2)CCCCC1 ZINC000422770314 447746086 /nfs/dbraw/zinc/74/60/86/447746086.db2.gz WAAOKYMQUZFZTI-QZTJIDSGSA-N 2 2 337.508 1.378 20 0 EDADLP COc1ccc([C@H](NC[C@@H](C)[NH+]2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422803436 447755158 /nfs/dbraw/zinc/75/51/58/447755158.db2.gz FYLYYTGWIMWHSF-MNEFBYGVSA-N 2 2 333.476 1.799 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000422819322 447758751 /nfs/dbraw/zinc/75/87/51/447758751.db2.gz MRLOHMVDIQWGIT-SJLPKXTDSA-N 2 2 342.443 1.357 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@](C)(C[NH3+])C1CC1)CC2 ZINC000422823956 447760330 /nfs/dbraw/zinc/76/03/30/447760330.db2.gz FPRSRKNADSLYBE-IBGZPJMESA-N 2 2 347.459 1.306 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@](C)(C[NH3+])C1CC1)CC2 ZINC000422823956 447760334 /nfs/dbraw/zinc/76/03/34/447760334.db2.gz FPRSRKNADSLYBE-IBGZPJMESA-N 2 2 347.459 1.306 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000430548029 447776174 /nfs/dbraw/zinc/77/61/74/447776174.db2.gz VUOYPPCNMSRWKO-GOSISDBHSA-N 2 2 343.475 1.794 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000430548029 447776175 /nfs/dbraw/zinc/77/61/75/447776175.db2.gz VUOYPPCNMSRWKO-GOSISDBHSA-N 2 2 343.475 1.794 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000430554058 447777183 /nfs/dbraw/zinc/77/71/83/447777183.db2.gz MFMLYFWWAKOLNT-FZKQIMNGSA-N 2 2 337.464 1.844 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)C1 ZINC000430928888 447787714 /nfs/dbraw/zinc/78/77/14/447787714.db2.gz VRCUOKRUTDBMFL-CQSZACIVSA-N 2 2 335.448 1.204 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)C1 ZINC000430928888 447787716 /nfs/dbraw/zinc/78/77/16/447787716.db2.gz VRCUOKRUTDBMFL-CQSZACIVSA-N 2 2 335.448 1.204 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422998294 447789491 /nfs/dbraw/zinc/78/94/91/447789491.db2.gz WIQKMYUGURXVQL-FHWLQOOXSA-N 2 2 334.460 1.865 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423018177 447791856 /nfs/dbraw/zinc/79/18/56/447791856.db2.gz YGOYSVYZEDZZMC-NEPJUHHUSA-N 2 2 333.354 1.836 20 0 EDADLP CCOC(=O)c1csc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000423076779 447800090 /nfs/dbraw/zinc/80/00/90/447800090.db2.gz ZSROHDNBEHHPQD-DZGCQCFKSA-N 2 2 339.461 1.219 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000569687352 447867585 /nfs/dbraw/zinc/86/75/85/447867585.db2.gz QZYVTLPEVANLJH-CVEARBPZSA-N 2 2 345.443 1.485 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000569687352 447867589 /nfs/dbraw/zinc/86/75/89/447867589.db2.gz QZYVTLPEVANLJH-CVEARBPZSA-N 2 2 345.443 1.485 20 0 EDADLP [NH3+][C@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1cscn1 ZINC000575752152 447890603 /nfs/dbraw/zinc/89/06/03/447890603.db2.gz JLZYJAOKXRONMW-INIZCTEOSA-N 2 2 345.472 1.081 20 0 EDADLP C[C@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000496788302 447912851 /nfs/dbraw/zinc/91/28/51/447912851.db2.gz YRMMQHMLWOGYMG-QAPCUYQASA-N 2 2 343.512 1.972 20 0 EDADLP CCc1cc(NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)nc(C)[nH+]1 ZINC000551920606 447913706 /nfs/dbraw/zinc/91/37/06/447913706.db2.gz QULKHRVQSMJFJY-BLLLJJGKSA-N 2 2 328.420 1.712 20 0 EDADLP CC[C@@H](CSc1ccccc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570066316 447943018 /nfs/dbraw/zinc/94/30/18/447943018.db2.gz JTYKRDVWUVGVRZ-GJZGRUSLSA-N 2 2 336.505 1.842 20 0 EDADLP Cc1cc(Br)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000576003197 447949752 /nfs/dbraw/zinc/94/97/52/447949752.db2.gz OBUXPPMEJYZTPY-GXSJLCMTSA-N 2 2 344.278 1.563 20 0 EDADLP Cc1cc(Br)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000576003197 447949753 /nfs/dbraw/zinc/94/97/53/447949753.db2.gz OBUXPPMEJYZTPY-GXSJLCMTSA-N 2 2 344.278 1.563 20 0 EDADLP COc1ccnc2c(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cccc12 ZINC000569942542 447924668 /nfs/dbraw/zinc/92/46/68/447924668.db2.gz PSRSVCWQEMMIPE-GFCCVEGCSA-N 2 2 329.404 1.350 20 0 EDADLP COc1ccnc2c(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cccc12 ZINC000569942542 447924674 /nfs/dbraw/zinc/92/46/74/447924674.db2.gz PSRSVCWQEMMIPE-GFCCVEGCSA-N 2 2 329.404 1.350 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496816473 447937241 /nfs/dbraw/zinc/93/72/41/447937241.db2.gz CVNNSDYGZQXQRA-INIZCTEOSA-N 2 2 341.496 1.678 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496816473 447937243 /nfs/dbraw/zinc/93/72/43/447937243.db2.gz CVNNSDYGZQXQRA-INIZCTEOSA-N 2 2 341.496 1.678 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1C ZINC000576150644 447984957 /nfs/dbraw/zinc/98/49/57/447984957.db2.gz WKVLNSYBQDINSV-ZWKOTPCHSA-N 2 2 335.492 1.187 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1C ZINC000576150644 447984960 /nfs/dbraw/zinc/98/49/60/447984960.db2.gz WKVLNSYBQDINSV-ZWKOTPCHSA-N 2 2 335.492 1.187 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)[C@@H]2C1 ZINC000554541657 448031888 /nfs/dbraw/zinc/03/18/88/448031888.db2.gz KYGAJTHEKRRYAX-HZPDHXFCSA-N 2 2 340.431 1.884 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)[C@@H]2C1 ZINC000554541657 448031892 /nfs/dbraw/zinc/03/18/92/448031892.db2.gz KYGAJTHEKRRYAX-HZPDHXFCSA-N 2 2 340.431 1.884 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000570579337 448032768 /nfs/dbraw/zinc/03/27/68/448032768.db2.gz KZAOQDRMYBEQIY-HOCLYGCPSA-N 2 2 336.505 1.204 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000570579337 448032774 /nfs/dbraw/zinc/03/27/74/448032774.db2.gz KZAOQDRMYBEQIY-HOCLYGCPSA-N 2 2 336.505 1.204 20 0 EDADLP COC(=O)[C@@H](C1CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500409936 448087189 /nfs/dbraw/zinc/08/71/89/448087189.db2.gz MJNFMNOBZQDAOZ-USXIJHARSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500409936 448087193 /nfs/dbraw/zinc/08/71/93/448087193.db2.gz MJNFMNOBZQDAOZ-USXIJHARSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@@H](C1CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000500409936 448087199 /nfs/dbraw/zinc/08/71/99/448087199.db2.gz MJNFMNOBZQDAOZ-USXIJHARSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@@H](C1CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000500409936 448087206 /nfs/dbraw/zinc/08/72/06/448087206.db2.gz MJNFMNOBZQDAOZ-USXIJHARSA-N 2 2 334.464 1.686 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000571009051 448094561 /nfs/dbraw/zinc/09/45/61/448094561.db2.gz FYIXIGOBMWTKMQ-HNNXBMFYSA-N 2 2 331.420 1.549 20 0 EDADLP Cc1ccc(-c2cnc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)o2)cc1 ZINC000576718738 448124804 /nfs/dbraw/zinc/12/48/04/448124804.db2.gz HEZQFDSVECUVRR-CABCVRRESA-N 2 2 326.400 1.394 20 0 EDADLP Cc1ccc(-c2cnc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)o2)cc1 ZINC000576718738 448124809 /nfs/dbraw/zinc/12/48/09/448124809.db2.gz HEZQFDSVECUVRR-CABCVRRESA-N 2 2 326.400 1.394 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000571645673 448185787 /nfs/dbraw/zinc/18/57/87/448185787.db2.gz IAKYSZKSIQMYQU-QGZVFWFLSA-N 2 2 334.460 1.253 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NCC2([NH3+])CCC2)[NH+]2CCOCC2)c1 ZINC000514590201 448167028 /nfs/dbraw/zinc/16/70/28/448167028.db2.gz PVYFDAJWRPCOQY-QGZVFWFLSA-N 2 2 346.475 1.549 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)[C@H](C[NH3+])C1 ZINC000582408081 448226926 /nfs/dbraw/zinc/22/69/26/448226926.db2.gz UOIMCHGIOVYPSI-OAHLLOKOSA-N 2 2 326.404 1.250 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cnc(-c3ccccc3)nc2)[C@H](C[NH3+])C1 ZINC000582408081 448226934 /nfs/dbraw/zinc/22/69/34/448226934.db2.gz UOIMCHGIOVYPSI-OAHLLOKOSA-N 2 2 326.404 1.250 20 0 EDADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000514932758 448226923 /nfs/dbraw/zinc/22/69/23/448226923.db2.gz MMEJEVYPRNXVQN-HNNXBMFYSA-N 2 2 330.384 1.691 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)CCCC[NH3+])CCCC2)no1 ZINC000582422966 448235214 /nfs/dbraw/zinc/23/52/14/448235214.db2.gz AQDYGUIBZGIBQP-UHFFFAOYSA-N 2 2 337.468 1.926 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571855392 448216377 /nfs/dbraw/zinc/21/63/77/448216377.db2.gz MZXCYUPBLMFJNM-OAHLLOKOSA-N 2 2 344.419 1.525 20 0 EDADLP C[C@]12CCC(=O)N1[C@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)CS2 ZINC000577143190 448218302 /nfs/dbraw/zinc/21/83/02/448218302.db2.gz WAGFVVWNHOWYKF-BBRMVZONSA-N 2 2 343.412 1.660 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000577140727 448218667 /nfs/dbraw/zinc/21/86/67/448218667.db2.gz JOALZUYHPAZMDU-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000577140727 448218671 /nfs/dbraw/zinc/21/86/71/448218671.db2.gz JOALZUYHPAZMDU-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)CNCC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000577172976 448224547 /nfs/dbraw/zinc/22/45/47/448224547.db2.gz OQVYLAUUYSVPFB-IXDOHACOSA-N 2 2 327.513 1.168 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)CNCC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000577172976 448224552 /nfs/dbraw/zinc/22/45/52/448224552.db2.gz OQVYLAUUYSVPFB-IXDOHACOSA-N 2 2 327.513 1.168 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@H](C)O1 ZINC000572029594 448267624 /nfs/dbraw/zinc/26/76/24/448267624.db2.gz QDMSDAIBFDRSQD-QQXMDYFESA-N 2 2 348.487 1.966 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@H](C)O1 ZINC000572029594 448267628 /nfs/dbraw/zinc/26/76/28/448267628.db2.gz QDMSDAIBFDRSQD-QQXMDYFESA-N 2 2 348.487 1.966 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000515221352 448277970 /nfs/dbraw/zinc/27/79/70/448277970.db2.gz IKCIAZIZKWRGFF-CABCVRRESA-N 2 2 343.406 1.762 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000515388266 448307248 /nfs/dbraw/zinc/30/72/48/448307248.db2.gz WCFNLEFYEUSBSO-AWEZNQCLSA-N 2 2 329.448 1.399 20 0 EDADLP CC[N@H+](CC(=O)N[C@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763540 448307653 /nfs/dbraw/zinc/30/76/53/448307653.db2.gz UNRYZJDYZRHUOQ-APWZRJJASA-N 2 2 345.487 1.876 20 0 EDADLP CC[N@@H+](CC(=O)N[C@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763540 448307656 /nfs/dbraw/zinc/30/76/56/448307656.db2.gz UNRYZJDYZRHUOQ-APWZRJJASA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+](CC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763540 448307659 /nfs/dbraw/zinc/30/76/59/448307659.db2.gz UNRYZJDYZRHUOQ-APWZRJJASA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+](CC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000532763540 448307662 /nfs/dbraw/zinc/30/76/62/448307662.db2.gz UNRYZJDYZRHUOQ-APWZRJJASA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH2+]CCCNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000515814499 448352965 /nfs/dbraw/zinc/35/29/65/448352965.db2.gz KCBYHWRHTQWSDT-UHFFFAOYSA-N 2 2 349.479 1.018 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000582883435 448366733 /nfs/dbraw/zinc/36/67/33/448366733.db2.gz BLVPMJNXSBDIEL-OAHLLOKOSA-N 2 2 325.478 1.209 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000582883435 448366738 /nfs/dbraw/zinc/36/67/38/448366738.db2.gz BLVPMJNXSBDIEL-OAHLLOKOSA-N 2 2 325.478 1.209 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000582883435 448366744 /nfs/dbraw/zinc/36/67/44/448366744.db2.gz BLVPMJNXSBDIEL-OAHLLOKOSA-N 2 2 325.478 1.209 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000582883435 448366748 /nfs/dbraw/zinc/36/67/48/448366748.db2.gz BLVPMJNXSBDIEL-OAHLLOKOSA-N 2 2 325.478 1.209 20 0 EDADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000577723886 448369206 /nfs/dbraw/zinc/36/92/06/448369206.db2.gz IPTWUCKOUOBQJV-GOSISDBHSA-N 3 2 347.507 1.313 20 0 EDADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000577723886 448369212 /nfs/dbraw/zinc/36/92/12/448369212.db2.gz IPTWUCKOUOBQJV-GOSISDBHSA-N 3 2 347.507 1.313 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000582774533 448335133 /nfs/dbraw/zinc/33/51/33/448335133.db2.gz DPWKEFYVNKKWRT-CIRFHOKZSA-N 2 2 346.475 1.232 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC(=O)NCc1ccccc1 ZINC000572286897 448336265 /nfs/dbraw/zinc/33/62/65/448336265.db2.gz LAYVDFMDDPMHFD-GOSISDBHSA-N 2 2 330.432 1.088 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC(=O)NCc1ccccc1 ZINC000572286897 448336269 /nfs/dbraw/zinc/33/62/69/448336269.db2.gz LAYVDFMDDPMHFD-GOSISDBHSA-N 2 2 330.432 1.088 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000528005139 448408035 /nfs/dbraw/zinc/40/80/35/448408035.db2.gz SANKTMSBUYFPOR-LISAXSMJSA-N 2 2 325.497 1.185 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000528005139 448408041 /nfs/dbraw/zinc/40/80/41/448408041.db2.gz SANKTMSBUYFPOR-LISAXSMJSA-N 2 2 325.497 1.185 20 0 EDADLP COc1ccc(C)cc1CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577947918 448423485 /nfs/dbraw/zinc/42/34/85/448423485.db2.gz HCGZYZXDVXRXGH-SOLBZPMBSA-N 2 2 336.476 1.606 20 0 EDADLP COc1ccc(C)cc1CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577947918 448423488 /nfs/dbraw/zinc/42/34/88/448423488.db2.gz HCGZYZXDVXRXGH-SOLBZPMBSA-N 2 2 336.476 1.606 20 0 EDADLP Cn1c[nH+]cc1CCC[N@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000572659856 448433289 /nfs/dbraw/zinc/43/32/89/448433289.db2.gz RUBXUUDHYXFYEU-HOTGVXAUSA-N 2 2 341.477 1.021 20 0 EDADLP Cn1c[nH+]cc1CCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000572659856 448433292 /nfs/dbraw/zinc/43/32/92/448433292.db2.gz RUBXUUDHYXFYEU-HOTGVXAUSA-N 2 2 341.477 1.021 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cnc(-c4cccs4)s3)CCN2C1=O ZINC000578027128 448445814 /nfs/dbraw/zinc/44/58/14/448445814.db2.gz PASMKNPOCRTJDZ-ZYHUDNBSSA-N 2 2 334.470 1.615 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cnc(-c4cccs4)s3)CCN2C1=O ZINC000578027128 448445819 /nfs/dbraw/zinc/44/58/19/448445819.db2.gz PASMKNPOCRTJDZ-ZYHUDNBSSA-N 2 2 334.470 1.615 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCC[C@H](C)C1 ZINC000578117348 448463744 /nfs/dbraw/zinc/46/37/44/448463744.db2.gz UUKQWAWVOTUWIV-VVLHAWIVSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCC[C@H](C)C1 ZINC000578117348 448463748 /nfs/dbraw/zinc/46/37/48/448463748.db2.gz UUKQWAWVOTUWIV-VVLHAWIVSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+]1CCC[C@H](C)C1 ZINC000578117348 448463757 /nfs/dbraw/zinc/46/37/57/448463757.db2.gz UUKQWAWVOTUWIV-VVLHAWIVSA-N 2 2 338.496 1.269 20 0 EDADLP Cc1[nH]c2ccc(CN3C(=O)N[C@]4(CCCC[C@@H]4C[NH3+])C3=O)cc2[nH+]1 ZINC000516865698 448485615 /nfs/dbraw/zinc/48/56/15/448485615.db2.gz UFLMUTQAELQTPB-ACJLOTCBSA-N 2 2 341.415 1.811 20 0 EDADLP Cc1[nH]c2cc(CN3C(=O)N[C@]4(CCCC[C@@H]4C[NH3+])C3=O)ccc2[nH+]1 ZINC000516865698 448485620 /nfs/dbraw/zinc/48/56/20/448485620.db2.gz UFLMUTQAELQTPB-ACJLOTCBSA-N 2 2 341.415 1.811 20 0 EDADLP [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CCCCC1 ZINC000516914829 448495870 /nfs/dbraw/zinc/49/58/70/448495870.db2.gz NNCCOTGBTNIERV-AWEZNQCLSA-N 2 2 329.404 1.297 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000572971445 448511827 /nfs/dbraw/zinc/51/18/27/448511827.db2.gz CUACYVVLZDXLJJ-MRXNPFEDSA-N 2 2 337.464 1.403 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000572971445 448511849 /nfs/dbraw/zinc/51/18/49/448511849.db2.gz CUACYVVLZDXLJJ-MRXNPFEDSA-N 2 2 337.464 1.403 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000578333436 448519504 /nfs/dbraw/zinc/51/95/04/448519504.db2.gz PYGJBKMNCZSAPU-OAHLLOKOSA-N 2 2 341.402 1.030 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528432458 448526416 /nfs/dbraw/zinc/52/64/16/448526416.db2.gz ULCJVQZYYNMNHK-UHFFFAOYSA-N 2 2 325.840 1.394 20 0 EDADLP COC(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc2[nH]ccc21 ZINC000566844116 448567831 /nfs/dbraw/zinc/56/78/31/448567831.db2.gz DMFZFLZSJSAXCZ-GFCCVEGCSA-N 2 2 345.403 1.061 20 0 EDADLP COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc2[nH]ccc21 ZINC000566844116 448567833 /nfs/dbraw/zinc/56/78/33/448567833.db2.gz DMFZFLZSJSAXCZ-GFCCVEGCSA-N 2 2 345.403 1.061 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537951720 448574601 /nfs/dbraw/zinc/57/46/01/448574601.db2.gz ZXQDTZSAEVFFEE-XJKSGUPXSA-N 2 2 335.429 1.337 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)[C@H](C[NH3+])C1 ZINC000517099796 448538224 /nfs/dbraw/zinc/53/82/24/448538224.db2.gz DMKARUNGVDPJDW-BRWVUGGUSA-N 2 2 332.448 1.191 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)[C@H](C[NH3+])C1 ZINC000517099796 448538232 /nfs/dbraw/zinc/53/82/32/448538232.db2.gz DMKARUNGVDPJDW-BRWVUGGUSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2(CCO)CCCCC2)C[C@H](C)O1 ZINC000584470004 448538903 /nfs/dbraw/zinc/53/89/03/448538903.db2.gz HGCWDXWEGPSBDJ-IXDOHACOSA-N 2 2 328.497 1.379 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2(CCO)CCCCC2)C[C@H](C)O1 ZINC000584470004 448538905 /nfs/dbraw/zinc/53/89/05/448538905.db2.gz HGCWDXWEGPSBDJ-IXDOHACOSA-N 2 2 328.497 1.379 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000517149589 448543927 /nfs/dbraw/zinc/54/39/27/448543927.db2.gz PITZFOGFHDCJJQ-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000517149589 448543932 /nfs/dbraw/zinc/54/39/32/448543932.db2.gz PITZFOGFHDCJJQ-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000517149589 448543934 /nfs/dbraw/zinc/54/39/34/448543934.db2.gz PITZFOGFHDCJJQ-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000517149589 448543939 /nfs/dbraw/zinc/54/39/39/448543939.db2.gz PITZFOGFHDCJJQ-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP COCC[C@H](COC)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000517733973 448610689 /nfs/dbraw/zinc/61/06/89/448610689.db2.gz MECIFQRRWXTRGJ-CVEARBPZSA-N 2 2 335.448 1.655 20 0 EDADLP c1c[nH+]c(N2CC[NH+](C[C@H]3CN(c4ccccc4)CCO3)CC2)[nH]1 ZINC000584728552 448612046 /nfs/dbraw/zinc/61/20/46/448612046.db2.gz PCKCGPWRTJCAQK-KRWDZBQOSA-N 2 2 327.432 1.437 20 0 EDADLP O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573277257 448586313 /nfs/dbraw/zinc/58/63/13/448586313.db2.gz XQZNKTYBNATNQY-INIZCTEOSA-N 2 2 325.416 1.552 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000573306849 448592878 /nfs/dbraw/zinc/59/28/78/448592878.db2.gz QLEIWGVVMJOLEI-HUUCEWRRSA-N 2 2 328.420 1.965 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000584706870 448601310 /nfs/dbraw/zinc/60/13/10/448601310.db2.gz YTIPNBRTFKOTKB-UHFFFAOYSA-N 2 2 336.436 1.111 20 0 EDADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000567226799 448642371 /nfs/dbraw/zinc/64/23/71/448642371.db2.gz FFLHQOJVNPHOEL-IEBWSBKVSA-N 4 2 330.520 1.958 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000528733491 448651693 /nfs/dbraw/zinc/65/16/93/448651693.db2.gz ILLNQUNVCZZRJZ-HXUWFJFHSA-N 2 2 343.471 1.620 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000528733491 448651698 /nfs/dbraw/zinc/65/16/98/448651698.db2.gz ILLNQUNVCZZRJZ-HXUWFJFHSA-N 2 2 343.471 1.620 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+]C2(C(=O)OC(C)(C)C)CCCC2)CC1 ZINC000518339344 448665988 /nfs/dbraw/zinc/66/59/88/448665988.db2.gz GIVWFLMZABSFIM-UHFFFAOYSA-N 2 2 339.480 1.395 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000579082023 448707001 /nfs/dbraw/zinc/70/70/01/448707001.db2.gz GIIANZHMEGHPER-OIISXLGYSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000579082023 448707003 /nfs/dbraw/zinc/70/70/03/448707003.db2.gz GIIANZHMEGHPER-OIISXLGYSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000579082023 448707008 /nfs/dbraw/zinc/70/70/08/448707008.db2.gz GIIANZHMEGHPER-OIISXLGYSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000579082023 448707011 /nfs/dbraw/zinc/70/70/11/448707011.db2.gz GIIANZHMEGHPER-OIISXLGYSA-N 2 2 336.480 1.166 20 0 EDADLP c1cc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc(N2CCCCC2)[nH+]1 ZINC000544704954 448765789 /nfs/dbraw/zinc/76/57/89/448765789.db2.gz VUPSCNWDJJVVFN-IRXDYDNUSA-N 2 2 345.491 2.522 20 0 EDADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181129 448725137 /nfs/dbraw/zinc/72/51/37/448725137.db2.gz CVROKHZOHLBRJA-UHFFFAOYSA-N 2 2 336.432 1.925 20 0 EDADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181129 448725141 /nfs/dbraw/zinc/72/51/41/448725141.db2.gz CVROKHZOHLBRJA-UHFFFAOYSA-N 2 2 336.432 1.925 20 0 EDADLP CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000518971966 448727595 /nfs/dbraw/zinc/72/75/95/448727595.db2.gz DWWLDNRKHYEUEA-DLBZAZTESA-N 2 2 346.475 1.618 20 0 EDADLP CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000518971966 448727601 /nfs/dbraw/zinc/72/76/01/448727601.db2.gz DWWLDNRKHYEUEA-DLBZAZTESA-N 2 2 346.475 1.618 20 0 EDADLP CC(C)NC(=O)Nc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000567678091 448733628 /nfs/dbraw/zinc/73/36/28/448733628.db2.gz JXTLWUJMYFEFQU-KRWDZBQOSA-N 2 2 334.464 1.761 20 0 EDADLP CC(C)NC(=O)Nc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000567678091 448733636 /nfs/dbraw/zinc/73/36/36/448733636.db2.gz JXTLWUJMYFEFQU-KRWDZBQOSA-N 2 2 334.464 1.761 20 0 EDADLP COCCCOc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000579208394 448737929 /nfs/dbraw/zinc/73/79/29/448737929.db2.gz BPRVBFMJZRJIFW-HNNXBMFYSA-N 2 2 336.436 1.209 20 0 EDADLP COCCCOc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000579208394 448737934 /nfs/dbraw/zinc/73/79/34/448737934.db2.gz BPRVBFMJZRJIFW-HNNXBMFYSA-N 2 2 336.436 1.209 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc[nH+]1 ZINC000543561639 448741019 /nfs/dbraw/zinc/74/10/19/448741019.db2.gz UZUPZFWLFDNYTJ-UHFFFAOYSA-N 2 2 325.416 1.785 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)ccc2[nH+]1 ZINC000567713873 448746341 /nfs/dbraw/zinc/74/63/41/448746341.db2.gz OUABHEQRKMRHRK-ZIAGYGMSSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)ccc2[nH+]1 ZINC000567713873 448746346 /nfs/dbraw/zinc/74/63/46/448746346.db2.gz OUABHEQRKMRHRK-ZIAGYGMSSA-N 2 2 331.420 1.562 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)C[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000519147809 448747832 /nfs/dbraw/zinc/74/78/32/448747832.db2.gz WPNTWWGHBRUPEP-HUUCEWRRSA-N 2 2 336.505 1.295 20 0 EDADLP O=C(CC[NH2+]C[C@H]1CCCC[N@H+]1CCO)Nc1cc(F)cc(F)c1 ZINC000579231707 448747841 /nfs/dbraw/zinc/74/78/41/448747841.db2.gz QDVCEGWUIGVILC-MRXNPFEDSA-N 2 2 341.402 1.730 20 0 EDADLP O=C(CC[NH2+]C[C@H]1CCCC[N@@H+]1CCO)Nc1cc(F)cc(F)c1 ZINC000579231707 448747845 /nfs/dbraw/zinc/74/78/45/448747845.db2.gz QDVCEGWUIGVILC-MRXNPFEDSA-N 2 2 341.402 1.730 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000592278323 448771003 /nfs/dbraw/zinc/77/10/03/448771003.db2.gz JRAGEVGBCLZJFB-BZUAXINKSA-N 2 2 339.480 1.013 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000592278323 448771010 /nfs/dbraw/zinc/77/10/10/448771010.db2.gz JRAGEVGBCLZJFB-BZUAXINKSA-N 2 2 339.480 1.013 20 0 EDADLP O=C(NCCC[NH+]1CCCCCC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586679753 448795674 /nfs/dbraw/zinc/79/56/74/448795674.db2.gz LERIVMWQUYHLCC-UHFFFAOYSA-N 2 2 328.420 1.658 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)cc(OC)c1 ZINC000574274305 448832951 /nfs/dbraw/zinc/83/29/51/448832951.db2.gz CUVVMLYVAQXLLM-KDOFPFPSSA-N 2 2 347.459 1.346 20 0 EDADLP Cc1cc(NCCNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000529366761 448842791 /nfs/dbraw/zinc/84/27/91/448842791.db2.gz MKCUWYJWBMKIOS-UONOGXRCSA-N 2 2 334.468 1.712 20 0 EDADLP CC(C)c1nc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000579690356 448852751 /nfs/dbraw/zinc/85/27/51/448852751.db2.gz AFIHEJRGMKIBGM-ZDUSSCGKSA-N 2 2 325.482 1.093 20 0 EDADLP CC(C)c1nc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000579690356 448852757 /nfs/dbraw/zinc/85/27/57/448852757.db2.gz AFIHEJRGMKIBGM-ZDUSSCGKSA-N 2 2 325.482 1.093 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000529384834 448851646 /nfs/dbraw/zinc/85/16/46/448851646.db2.gz JEGDZTFDBWIVOW-GJZGRUSLSA-N 2 2 347.463 1.097 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000519975208 448865670 /nfs/dbraw/zinc/86/56/70/448865670.db2.gz KHWHWZURHHHDGI-UHFFFAOYSA-N 2 2 343.431 1.480 20 0 EDADLP CCNc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000574432846 448873686 /nfs/dbraw/zinc/87/36/86/448873686.db2.gz MXWAPWJIVBWOGR-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000574432846 448873689 /nfs/dbraw/zinc/87/36/89/448873689.db2.gz MXWAPWJIVBWOGR-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000574432846 448873691 /nfs/dbraw/zinc/87/36/91/448873691.db2.gz MXWAPWJIVBWOGR-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000574432846 448873692 /nfs/dbraw/zinc/87/36/92/448873692.db2.gz MXWAPWJIVBWOGR-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000574432846 448873695 /nfs/dbraw/zinc/87/36/95/448873695.db2.gz MXWAPWJIVBWOGR-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000574432846 448873697 /nfs/dbraw/zinc/87/36/97/448873697.db2.gz MXWAPWJIVBWOGR-KBPBESRZSA-N 2 2 347.511 1.856 20 0 EDADLP Cc1c(C[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000579794306 448876850 /nfs/dbraw/zinc/87/68/50/448876850.db2.gz HCKGNKXFDSSFJS-GOSISDBHSA-N 2 2 343.475 1.579 20 0 EDADLP Cc1c(C[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000579794306 448876854 /nfs/dbraw/zinc/87/68/54/448876854.db2.gz HCKGNKXFDSSFJS-GOSISDBHSA-N 2 2 343.475 1.579 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574383540 448859790 /nfs/dbraw/zinc/85/97/90/448859790.db2.gz NUZWRLZRLRVNEH-INIZCTEOSA-N 2 2 333.823 1.883 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000547540038 448897591 /nfs/dbraw/zinc/89/75/91/448897591.db2.gz VVIAOMIWWMWFET-UHFFFAOYSA-N 2 2 328.416 1.111 20 0 EDADLP CC[N@H+](CC(=O)N1CCN(C)C[C@H]1C[NH3+])Cc1ccccc1Cl ZINC000574569028 448904324 /nfs/dbraw/zinc/90/43/24/448904324.db2.gz JWNQZVLXPBPCMA-OAHLLOKOSA-N 2 2 338.883 1.263 20 0 EDADLP CC[N@@H+](CC(=O)N1CCN(C)C[C@H]1C[NH3+])Cc1ccccc1Cl ZINC000574569028 448904329 /nfs/dbraw/zinc/90/43/29/448904329.db2.gz JWNQZVLXPBPCMA-OAHLLOKOSA-N 2 2 338.883 1.263 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000574613960 448913738 /nfs/dbraw/zinc/91/37/38/448913738.db2.gz YNVYCWDIJOHNKU-BXUZGUMPSA-N 2 2 333.461 1.931 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000574613960 448913744 /nfs/dbraw/zinc/91/37/44/448913744.db2.gz YNVYCWDIJOHNKU-BXUZGUMPSA-N 2 2 333.461 1.931 20 0 EDADLP Cc1cnccc1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000574757811 448949994 /nfs/dbraw/zinc/94/99/94/448949994.db2.gz QDGBKAKKMXKKKG-UHFFFAOYSA-N 2 2 339.443 1.614 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC([N@@H+](C)C[C@@H](C)O)CC3)[nH+]c12 ZINC000548049294 448976483 /nfs/dbraw/zinc/97/64/83/448976483.db2.gz OKAMJCZCLPMUCU-OAHLLOKOSA-N 2 2 344.459 1.489 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC([N@H+](C)C[C@@H](C)O)CC3)[nH+]c12 ZINC000548049294 448976491 /nfs/dbraw/zinc/97/64/91/448976491.db2.gz OKAMJCZCLPMUCU-OAHLLOKOSA-N 2 2 344.459 1.489 20 0 EDADLP Cc1cccnc1C(C)(C)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000569214218 448980746 /nfs/dbraw/zinc/98/07/46/448980746.db2.gz GDWJPYBNLVQSOQ-ZACQAIPSSA-N 2 2 335.492 1.727 20 0 EDADLP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C(F)(F)F ZINC000575059646 449026022 /nfs/dbraw/zinc/02/60/22/449026022.db2.gz CNVNXTBXUURDSH-XHSDSOJGSA-N 2 2 346.393 1.772 20 0 EDADLP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C(F)(F)F ZINC000575059646 449026023 /nfs/dbraw/zinc/02/60/23/449026023.db2.gz CNVNXTBXUURDSH-XHSDSOJGSA-N 2 2 346.393 1.772 20 0 EDADLP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582367864 449077817 /nfs/dbraw/zinc/07/78/17/449077817.db2.gz ISCVVXVMPDVVIX-ZDUSSCGKSA-N 2 2 343.456 1.830 20 0 EDADLP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582367864 449077822 /nfs/dbraw/zinc/07/78/22/449077822.db2.gz ISCVVXVMPDVVIX-ZDUSSCGKSA-N 2 2 343.456 1.830 20 0 EDADLP CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000582285607 449055726 /nfs/dbraw/zinc/05/57/26/449055726.db2.gz QYKIKWPNPFNHHC-UHFFFAOYSA-N 2 2 346.475 1.518 20 0 EDADLP CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000582285607 449055730 /nfs/dbraw/zinc/05/57/30/449055730.db2.gz QYKIKWPNPFNHHC-UHFFFAOYSA-N 2 2 346.475 1.518 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000522190866 449061207 /nfs/dbraw/zinc/06/12/07/449061207.db2.gz RVDAZHSMNUVTQF-SFHVURJKSA-N 2 2 346.475 1.084 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000530245285 449093401 /nfs/dbraw/zinc/09/34/01/449093401.db2.gz VJZBJGICGUQHEF-UHFFFAOYSA-N 2 2 332.448 1.228 20 0 EDADLP C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000548813277 449100232 /nfs/dbraw/zinc/10/02/32/449100232.db2.gz AXIZWTAZWUDNGW-RDJZCZTQSA-N 2 2 342.443 1.748 20 0 EDADLP C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000548813277 449100238 /nfs/dbraw/zinc/10/02/38/449100238.db2.gz AXIZWTAZWUDNGW-RDJZCZTQSA-N 2 2 342.443 1.748 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)C2 ZINC000530282174 449102880 /nfs/dbraw/zinc/10/28/80/449102880.db2.gz HQHZBIDKHURZPA-LBPRGKRZSA-N 2 2 344.463 1.754 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)CC2 ZINC000530282174 449102884 /nfs/dbraw/zinc/10/28/84/449102884.db2.gz HQHZBIDKHURZPA-LBPRGKRZSA-N 2 2 344.463 1.754 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3nccs3)C2)CC1 ZINC000604185851 449189179 /nfs/dbraw/zinc/18/91/79/449189179.db2.gz ZGYZOPIKPXDLGI-ZDUSSCGKSA-N 2 2 337.493 1.153 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3nccs3)C2)CC1 ZINC000604185851 449189184 /nfs/dbraw/zinc/18/91/84/449189184.db2.gz ZGYZOPIKPXDLGI-ZDUSSCGKSA-N 2 2 337.493 1.153 20 0 EDADLP CCN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604210165 449194637 /nfs/dbraw/zinc/19/46/37/449194637.db2.gz XXMRRODDMHCGQN-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP CCN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604210165 449194642 /nfs/dbraw/zinc/19/46/42/449194642.db2.gz XXMRRODDMHCGQN-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP c1ccc2c(c1)n[nH]c2C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000604418389 449227206 /nfs/dbraw/zinc/22/72/06/449227206.db2.gz WHGSVUUXPNMVEC-HNNXBMFYSA-N 2 2 329.448 1.059 20 0 EDADLP CCOC(=O)c1cnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000596123552 449374445 /nfs/dbraw/zinc/37/44/45/449374445.db2.gz ORJVMZGDIVQNAR-GFCCVEGCSA-N 2 2 338.477 1.900 20 0 EDADLP CCOC(=O)c1cnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000596123552 449374450 /nfs/dbraw/zinc/37/44/50/449374450.db2.gz ORJVMZGDIVQNAR-GFCCVEGCSA-N 2 2 338.477 1.900 20 0 EDADLP Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602201927 449429914 /nfs/dbraw/zinc/42/99/14/449429914.db2.gz UKZZJFGBHNNMSQ-SWLSCSKDSA-N 2 2 334.464 1.680 20 0 EDADLP Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602201927 449429920 /nfs/dbraw/zinc/42/99/20/449429920.db2.gz UKZZJFGBHNNMSQ-SWLSCSKDSA-N 2 2 334.464 1.680 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000611965195 449495843 /nfs/dbraw/zinc/49/58/43/449495843.db2.gz QHHZEPMVIFPHKQ-XJKSGUPXSA-N 2 2 333.432 1.874 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000611965195 449495845 /nfs/dbraw/zinc/49/58/45/449495845.db2.gz QHHZEPMVIFPHKQ-XJKSGUPXSA-N 2 2 333.432 1.874 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCc3ccccn3)C2)CC1 ZINC000602330236 449519180 /nfs/dbraw/zinc/51/91/80/449519180.db2.gz IKZOGFXPXHKGTA-KRWDZBQOSA-N 2 2 330.476 1.689 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCc3ccccn3)C2)CC1 ZINC000602330236 449519185 /nfs/dbraw/zinc/51/91/85/449519185.db2.gz IKZOGFXPXHKGTA-KRWDZBQOSA-N 2 2 330.476 1.689 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3Cc4cc(F)ccc4O3)C2)CC1 ZINC000607114860 449573072 /nfs/dbraw/zinc/57/30/72/449573072.db2.gz QKQSOOVGTKTALJ-CRAIPNDOSA-N 2 2 347.434 1.414 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3Cc4cc(F)ccc4O3)C2)CC1 ZINC000607114860 449573081 /nfs/dbraw/zinc/57/30/81/449573081.db2.gz QKQSOOVGTKTALJ-CRAIPNDOSA-N 2 2 347.434 1.414 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](CCCO)C3CC3)CC2)c1 ZINC000607153155 449580610 /nfs/dbraw/zinc/58/06/10/449580610.db2.gz XHQUQZMWDFRZIM-UHFFFAOYSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](CCCO)C3CC3)CC2)c1 ZINC000607153155 449580615 /nfs/dbraw/zinc/58/06/15/449580615.db2.gz XHQUQZMWDFRZIM-UHFFFAOYSA-N 2 2 345.487 1.486 20 0 EDADLP CO[C@@H](C)CN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000607246110 449589626 /nfs/dbraw/zinc/58/96/26/449589626.db2.gz ZNOIWXUFSPOWNJ-JKSUJKDBSA-N 2 2 340.512 1.610 20 0 EDADLP CO[C@@H](C)CN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000607246110 449589634 /nfs/dbraw/zinc/58/96/34/449589634.db2.gz ZNOIWXUFSPOWNJ-JKSUJKDBSA-N 2 2 340.512 1.610 20 0 EDADLP C[S@](=O)C1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CC[NH2+]CC1 ZINC000602473961 449619520 /nfs/dbraw/zinc/61/95/20/449619520.db2.gz NDJSAOKTHFKESY-QHCPKHFHSA-N 2 2 332.429 1.516 20 0 EDADLP CCCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OC ZINC000594738823 449658642 /nfs/dbraw/zinc/65/86/42/449658642.db2.gz GTCOVXIOYGJFLC-JKSUJKDBSA-N 2 2 347.459 1.618 20 0 EDADLP CCCCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OC ZINC000594738823 449658649 /nfs/dbraw/zinc/65/86/49/449658649.db2.gz GTCOVXIOYGJFLC-JKSUJKDBSA-N 2 2 347.459 1.618 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000607907513 449664500 /nfs/dbraw/zinc/66/45/00/449664500.db2.gz LMLQLPMGYQKBDK-CRAIPNDOSA-N 2 2 339.524 1.970 20 0 EDADLP Cc1ncc(Cl)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000607907442 449664523 /nfs/dbraw/zinc/66/45/23/449664523.db2.gz VZGTXXJWGAAZHI-UHFFFAOYSA-N 2 2 339.871 1.536 20 0 EDADLP Cc1ncc(Cl)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000607907442 449664529 /nfs/dbraw/zinc/66/45/29/449664529.db2.gz VZGTXXJWGAAZHI-UHFFFAOYSA-N 2 2 339.871 1.536 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000601318464 449827486 /nfs/dbraw/zinc/82/74/86/449827486.db2.gz PGCDJMWSLYKKPI-HRCADAONSA-N 2 2 326.485 1.268 20 0 EDADLP COc1cccc(-c2nc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)co2)c1 ZINC000601325366 449833543 /nfs/dbraw/zinc/83/35/43/449833543.db2.gz IWVQATIKPDXKNU-GDBMZVCRSA-N 2 2 342.399 1.094 20 0 EDADLP COc1cccc(-c2nc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)co2)c1 ZINC000601325366 449833547 /nfs/dbraw/zinc/83/35/47/449833547.db2.gz IWVQATIKPDXKNU-GDBMZVCRSA-N 2 2 342.399 1.094 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326842 449835535 /nfs/dbraw/zinc/83/55/35/449835535.db2.gz QTFXJARNFFOUSI-MNOVXSKESA-N 2 2 325.434 1.390 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601326842 449835540 /nfs/dbraw/zinc/83/55/40/449835540.db2.gz QTFXJARNFFOUSI-MNOVXSKESA-N 2 2 325.434 1.390 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1(C)COC1 ZINC000608491723 449856101 /nfs/dbraw/zinc/85/61/01/449856101.db2.gz BIFKTWKVAFDTEW-UHFFFAOYSA-N 2 2 331.460 1.299 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1(C)COC1 ZINC000608491723 449856105 /nfs/dbraw/zinc/85/61/05/449856105.db2.gz BIFKTWKVAFDTEW-UHFFFAOYSA-N 2 2 331.460 1.299 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC1 ZINC000597181878 449858995 /nfs/dbraw/zinc/85/89/95/449858995.db2.gz GUKVHTYOAVAOIH-SYJLOODJSA-N 2 2 344.521 1.683 20 0 EDADLP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000601350675 449863566 /nfs/dbraw/zinc/86/35/66/449863566.db2.gz ZWFNMWBBJVZKAD-OAHLLOKOSA-N 2 2 349.479 1.124 20 0 EDADLP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000601350675 449863567 /nfs/dbraw/zinc/86/35/67/449863567.db2.gz ZWFNMWBBJVZKAD-OAHLLOKOSA-N 2 2 349.479 1.124 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612823051 449894345 /nfs/dbraw/zinc/89/43/45/449894345.db2.gz UKKDVKAWEIQGQL-MRXNPFEDSA-N 2 2 347.463 1.390 20 0 EDADLP COC(=O)C1CC[NH+](CCCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000609163191 449972481 /nfs/dbraw/zinc/97/24/81/449972481.db2.gz DWIMIEPGMZTVML-UHFFFAOYSA-N 2 2 336.436 1.055 20 0 EDADLP COC(=O)c1cc(C2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)no1 ZINC000603001193 449994678 /nfs/dbraw/zinc/99/46/78/449994678.db2.gz APXCZJNPUYZULV-AWEZNQCLSA-N 2 2 339.436 1.342 20 0 EDADLP COC(=O)c1cc(C2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)no1 ZINC000603001193 449994680 /nfs/dbraw/zinc/99/46/80/449994680.db2.gz APXCZJNPUYZULV-AWEZNQCLSA-N 2 2 339.436 1.342 20 0 EDADLP CN(C(=O)c1ccc2c(c1)COC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479089 450001589 /nfs/dbraw/zinc/00/15/89/450001589.db2.gz VJQGHZAVSSPGTD-IBGZPJMESA-N 2 2 343.471 1.957 20 0 EDADLP CN(C(=O)c1ccc2c(c1)COC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479089 450001597 /nfs/dbraw/zinc/00/15/97/450001597.db2.gz VJQGHZAVSSPGTD-IBGZPJMESA-N 2 2 343.471 1.957 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000595300115 450014210 /nfs/dbraw/zinc/01/42/10/450014210.db2.gz NASLEYNUVUJNMR-GJZGRUSLSA-N 2 2 334.420 1.074 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000595300115 450014213 /nfs/dbraw/zinc/01/42/13/450014213.db2.gz NASLEYNUVUJNMR-GJZGRUSLSA-N 2 2 334.420 1.074 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346419 450060793 /nfs/dbraw/zinc/06/07/93/450060793.db2.gz IOWYILPMRVYDJB-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346419 450060795 /nfs/dbraw/zinc/06/07/95/450060795.db2.gz IOWYILPMRVYDJB-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346419 450060796 /nfs/dbraw/zinc/06/07/96/450060796.db2.gz IOWYILPMRVYDJB-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346419 450060797 /nfs/dbraw/zinc/06/07/97/450060797.db2.gz IOWYILPMRVYDJB-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000609850151 450105600 /nfs/dbraw/zinc/10/56/00/450105600.db2.gz AZHAQIUZMKVXTC-HNNXBMFYSA-N 2 2 341.459 1.547 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000609850151 450105604 /nfs/dbraw/zinc/10/56/04/450105604.db2.gz AZHAQIUZMKVXTC-HNNXBMFYSA-N 2 2 341.459 1.547 20 0 EDADLP COC(=O)CCN1CC[C@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C1=O ZINC000595403762 450116360 /nfs/dbraw/zinc/11/63/60/450116360.db2.gz MEAVLRKTYZAIJD-HNNXBMFYSA-N 2 2 346.431 1.122 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595545548 450222037 /nfs/dbraw/zinc/22/20/37/450222037.db2.gz JHCVXQRWEQBGEO-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595545548 450222044 /nfs/dbraw/zinc/22/20/44/450222044.db2.gz JHCVXQRWEQBGEO-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595545548 450222049 /nfs/dbraw/zinc/22/20/49/450222049.db2.gz JHCVXQRWEQBGEO-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595545548 450222054 /nfs/dbraw/zinc/22/20/54/450222054.db2.gz JHCVXQRWEQBGEO-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000616207480 450355065 /nfs/dbraw/zinc/35/50/65/450355065.db2.gz BTDZBPQJKWPZQQ-GOSISDBHSA-N 2 2 326.444 1.958 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619969573 450386927 /nfs/dbraw/zinc/38/69/27/450386927.db2.gz RTJKNAWSRIEKIL-IAGOWNOFSA-N 2 2 344.459 1.521 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)CC2)cs1 ZINC000623268925 450471477 /nfs/dbraw/zinc/47/14/77/450471477.db2.gz ZMILBUFLOHPPNU-CQSZACIVSA-N 2 2 345.472 1.601 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000623354326 450504017 /nfs/dbraw/zinc/50/40/17/450504017.db2.gz ODOUPQMSHIIMGI-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000623354326 450504018 /nfs/dbraw/zinc/50/40/18/450504018.db2.gz ODOUPQMSHIIMGI-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2COc3cc(F)ccc3C2)CC1 ZINC000625993477 450550338 /nfs/dbraw/zinc/55/03/38/450550338.db2.gz ZBSCCWXEJAODSJ-HNNXBMFYSA-N 2 2 349.450 1.519 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000623619118 450553119 /nfs/dbraw/zinc/55/31/19/450553119.db2.gz SNXCXYGOCVHNOZ-KRWDZBQOSA-N 2 2 327.432 1.506 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000623619118 450553122 /nfs/dbraw/zinc/55/31/22/450553122.db2.gz SNXCXYGOCVHNOZ-KRWDZBQOSA-N 2 2 327.432 1.506 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000623620499 450553500 /nfs/dbraw/zinc/55/35/00/450553500.db2.gz RRUKJOYLBDOCNU-ZDUSSCGKSA-N 2 2 345.365 1.857 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000623620499 450553501 /nfs/dbraw/zinc/55/35/01/450553501.db2.gz RRUKJOYLBDOCNU-ZDUSSCGKSA-N 2 2 345.365 1.857 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000623634629 450556488 /nfs/dbraw/zinc/55/64/88/450556488.db2.gz NHXTUZMKQDXTGV-ZOBUZTSGSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000623634629 450556490 /nfs/dbraw/zinc/55/64/90/450556490.db2.gz NHXTUZMKQDXTGV-ZOBUZTSGSA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@@H]3CCCOC3)C2)CC1 ZINC000623638580 450557615 /nfs/dbraw/zinc/55/76/15/450557615.db2.gz KBTODQMVJACMCL-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@@H]3CCCOC3)C2)CC1 ZINC000623638580 450557616 /nfs/dbraw/zinc/55/76/16/450557616.db2.gz KBTODQMVJACMCL-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1cccn2c(C[NH2+][C@@H]3CCN(c4ccc5nncn5n4)C3)c[nH+]c12 ZINC000623652888 450560746 /nfs/dbraw/zinc/56/07/46/450560746.db2.gz RZSMMKSORGTESY-CQSZACIVSA-N 2 2 348.414 1.449 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000626088313 450573060 /nfs/dbraw/zinc/57/30/60/450573060.db2.gz SYCHGRGGIPJRIL-MRXNPFEDSA-N 2 2 325.497 1.819 20 0 EDADLP O[C@@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000623759743 450579250 /nfs/dbraw/zinc/57/92/50/450579250.db2.gz YSZXYBAOQKKPND-QGZVFWFLSA-N 2 2 337.895 1.961 20 0 EDADLP O[C@@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000623759743 450579253 /nfs/dbraw/zinc/57/92/53/450579253.db2.gz YSZXYBAOQKKPND-QGZVFWFLSA-N 2 2 337.895 1.961 20 0 EDADLP Nc1nc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000623853652 450615180 /nfs/dbraw/zinc/61/51/80/450615180.db2.gz BQJODIIOUGNUEC-GFCCVEGCSA-N 2 2 333.827 1.021 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[NH+](Cc3ccc(O)cc3)CC2)nc[nH+]1 ZINC000631537887 450643228 /nfs/dbraw/zinc/64/32/28/450643228.db2.gz ZVOCKLXATLSEBV-CQSZACIVSA-N 2 2 343.431 1.297 20 0 EDADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624084742 450698930 /nfs/dbraw/zinc/69/89/30/450698930.db2.gz KOOCNSRDJKZEMO-WBVHZDCISA-N 2 2 346.475 1.642 20 0 EDADLP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624084742 450698935 /nfs/dbraw/zinc/69/89/35/450698935.db2.gz KOOCNSRDJKZEMO-WBVHZDCISA-N 2 2 346.475 1.642 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000631657563 450699262 /nfs/dbraw/zinc/69/92/62/450699262.db2.gz XRBUMJIQZHIWLM-CQSZACIVSA-N 2 2 341.477 1.430 20 0 EDADLP COc1cccc([C@H](NC(=O)C2(C[NH+](C)C)CC2)c2[nH+]ccn2C)c1 ZINC000635172577 450717167 /nfs/dbraw/zinc/71/71/67/450717167.db2.gz YTDFTSJDZMIQLN-INIZCTEOSA-N 2 2 342.443 1.976 20 0 EDADLP CC(C)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000621497479 450747106 /nfs/dbraw/zinc/74/71/06/450747106.db2.gz LWVWWKPRGWBNGH-QGZVFWFLSA-N 2 2 346.475 1.579 20 0 EDADLP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cs1 ZINC000635208290 450749812 /nfs/dbraw/zinc/74/98/12/450749812.db2.gz DPTVNYRMJYCOQA-LBPRGKRZSA-N 2 2 340.493 1.383 20 0 EDADLP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000635208290 450749818 /nfs/dbraw/zinc/74/98/18/450749818.db2.gz DPTVNYRMJYCOQA-LBPRGKRZSA-N 2 2 340.493 1.383 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584899 450750239 /nfs/dbraw/zinc/75/02/39/450750239.db2.gz FOXAKPQJOFNWEU-BGYRXZFFSA-N 2 2 345.487 1.730 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584899 450750242 /nfs/dbraw/zinc/75/02/42/450750242.db2.gz FOXAKPQJOFNWEU-BGYRXZFFSA-N 2 2 345.487 1.730 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000635254322 450786859 /nfs/dbraw/zinc/78/68/59/450786859.db2.gz BRSOIVJVMWBDMX-UHFFFAOYSA-N 2 2 346.431 1.506 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc(OC)c1OC ZINC000631858994 450829603 /nfs/dbraw/zinc/82/96/03/450829603.db2.gz HPXVJZMJPZIWSH-NEPJUHHUSA-N 2 2 337.420 1.463 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc(OC)c1OC ZINC000631858994 450829606 /nfs/dbraw/zinc/82/96/06/450829606.db2.gz HPXVJZMJPZIWSH-NEPJUHHUSA-N 2 2 337.420 1.463 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)c[nH+]2)C[C@H](C)O1 ZINC000635314579 450838846 /nfs/dbraw/zinc/83/88/46/450838846.db2.gz GPUVUUUFAJVKGJ-XHSDSOJGSA-N 2 2 346.475 1.653 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)c[nH+]2)C[C@H](C)O1 ZINC000635314579 450838852 /nfs/dbraw/zinc/83/88/52/450838852.db2.gz GPUVUUUFAJVKGJ-XHSDSOJGSA-N 2 2 346.475 1.653 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635360298 450880971 /nfs/dbraw/zinc/88/09/71/450880971.db2.gz DZQSPPJTTADXEM-HZPDHXFCSA-N 2 2 325.416 1.689 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635360298 450880977 /nfs/dbraw/zinc/88/09/77/450880977.db2.gz DZQSPPJTTADXEM-HZPDHXFCSA-N 2 2 325.416 1.689 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000624733519 450970054 /nfs/dbraw/zinc/97/00/54/450970054.db2.gz KMVVWVFDBNUNPP-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000624733519 450970058 /nfs/dbraw/zinc/97/00/58/450970058.db2.gz KMVVWVFDBNUNPP-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP CC(C)C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)n1cc[nH+]c1 ZINC000635489897 450986485 /nfs/dbraw/zinc/98/64/85/450986485.db2.gz ZKAVJUKHKQGQBY-HOTGVXAUSA-N 2 2 349.479 1.174 20 0 EDADLP CC(C)C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)n1cc[nH+]c1 ZINC000635489897 450986493 /nfs/dbraw/zinc/98/64/93/450986493.db2.gz ZKAVJUKHKQGQBY-HOTGVXAUSA-N 2 2 349.479 1.174 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000626931977 451014156 /nfs/dbraw/zinc/01/41/56/451014156.db2.gz PDBGFSOZPHZBDW-KNCOVGOOSA-N 2 2 347.463 1.245 20 0 EDADLP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635552528 451050007 /nfs/dbraw/zinc/05/00/07/451050007.db2.gz TVEQBLAQMOTNRX-GOSISDBHSA-N 3 2 348.535 1.489 20 0 EDADLP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635552528 451050011 /nfs/dbraw/zinc/05/00/11/451050011.db2.gz TVEQBLAQMOTNRX-GOSISDBHSA-N 3 2 348.535 1.489 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000627070702 451111412 /nfs/dbraw/zinc/11/14/12/451111412.db2.gz FKZWDTIMIOWQMD-SJORKVTESA-N 2 2 334.464 1.440 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000627070702 451111418 /nfs/dbraw/zinc/11/14/18/451111418.db2.gz FKZWDTIMIOWQMD-SJORKVTESA-N 2 2 334.464 1.440 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627079927 451114335 /nfs/dbraw/zinc/11/43/35/451114335.db2.gz LMMTYQHJHDWLOD-IAGOWNOFSA-N 2 2 349.479 1.099 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627079927 451114342 /nfs/dbraw/zinc/11/43/42/451114342.db2.gz LMMTYQHJHDWLOD-IAGOWNOFSA-N 2 2 349.479 1.099 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627149712 451148429 /nfs/dbraw/zinc/14/84/29/451148429.db2.gz NBCYADVVIJOASU-UHFFFAOYSA-N 2 2 337.468 1.375 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627048497 451100328 /nfs/dbraw/zinc/10/03/28/451100328.db2.gz FTMBDXXWJDHNNM-QWRGUYRKSA-N 2 2 333.358 1.572 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000627243314 451205388 /nfs/dbraw/zinc/20/53/88/451205388.db2.gz GCCSSTBTARNHNS-OFQRWUPVSA-N 2 2 331.464 1.859 20 0 EDADLP COC[C@]1(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CCCC[NH2+]1 ZINC000638118217 451286032 /nfs/dbraw/zinc/28/60/32/451286032.db2.gz RDDFQZMGSJTFCA-SFHVURJKSA-N 2 2 330.432 1.460 20 0 EDADLP C[C@H](NC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091647 451257552 /nfs/dbraw/zinc/25/75/52/451257552.db2.gz PGABUHWJUNSVPG-YJBOKZPZSA-N 2 2 332.492 1.292 20 0 EDADLP [NH3+]Cc1nccn1CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000630583622 451261369 /nfs/dbraw/zinc/26/13/69/451261369.db2.gz GLLIAJZXZJSXTH-UHFFFAOYSA-N 2 2 347.850 1.340 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)[C@H](C)C1 ZINC000635818697 451266213 /nfs/dbraw/zinc/26/62/13/451266213.db2.gz KKOQFMNDTAYVIS-KGLIPLIRSA-N 2 2 344.415 1.105 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)[C@H](C)C1 ZINC000635818697 451266216 /nfs/dbraw/zinc/26/62/16/451266216.db2.gz KKOQFMNDTAYVIS-KGLIPLIRSA-N 2 2 344.415 1.105 20 0 EDADLP C[C@@]1(O)CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638108540 451276720 /nfs/dbraw/zinc/27/67/20/451276720.db2.gz YITUKDKEZIPLDR-LJQANCHMSA-N 2 2 334.460 1.744 20 0 EDADLP C[C@@]1(O)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638108540 451276726 /nfs/dbraw/zinc/27/67/26/451276726.db2.gz YITUKDKEZIPLDR-LJQANCHMSA-N 2 2 334.460 1.744 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114445 451283481 /nfs/dbraw/zinc/28/34/81/451283481.db2.gz JMEAHYFEXPNFPM-BLLLJJGKSA-N 2 2 343.468 1.635 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114445 451283486 /nfs/dbraw/zinc/28/34/86/451283486.db2.gz JMEAHYFEXPNFPM-BLLLJJGKSA-N 2 2 343.468 1.635 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114445 451283490 /nfs/dbraw/zinc/28/34/90/451283490.db2.gz JMEAHYFEXPNFPM-BLLLJJGKSA-N 2 2 343.468 1.635 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114445 451283496 /nfs/dbraw/zinc/28/34/96/451283496.db2.gz JMEAHYFEXPNFPM-BLLLJJGKSA-N 2 2 343.468 1.635 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000635846210 451293471 /nfs/dbraw/zinc/29/34/71/451293471.db2.gz VHOGGBKQVPINPV-UHFFFAOYSA-N 2 2 330.436 1.525 20 0 EDADLP C[NH+]1CCC(CC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000634304152 451288020 /nfs/dbraw/zinc/28/80/20/451288020.db2.gz VRJKWBIHJKZIJK-UHFFFAOYSA-N 2 2 348.516 1.983 20 0 EDADLP O=C(NCC1CC[NH+](CC(F)F)CC1)C12CCC[NH+](CCC1)C2 ZINC000635938244 451381380 /nfs/dbraw/zinc/38/13/80/451381380.db2.gz FMDMSDOXNAHAHY-UHFFFAOYSA-N 2 2 329.435 1.956 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)n1cc[nH+]c1 ZINC000635976634 451412569 /nfs/dbraw/zinc/41/25/69/451412569.db2.gz XXFTZRIIFZVEFU-DLBZAZTESA-N 2 2 334.464 1.794 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)C1 ZINC000636010818 451435395 /nfs/dbraw/zinc/43/53/95/451435395.db2.gz WMFSQMFHVBHYMC-MRXNPFEDSA-N 2 2 335.448 1.282 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)C1 ZINC000636010818 451435400 /nfs/dbraw/zinc/43/54/00/451435400.db2.gz WMFSQMFHVBHYMC-MRXNPFEDSA-N 2 2 335.448 1.282 20 0 EDADLP CN(C)c1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000640603451 451449389 /nfs/dbraw/zinc/44/93/89/451449389.db2.gz VVHKSNQUANGRCP-UHFFFAOYSA-N 3 2 348.495 1.637 20 0 EDADLP CN(C)c1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc[nH+]1 ZINC000640603451 451449391 /nfs/dbraw/zinc/44/93/91/451449391.db2.gz VVHKSNQUANGRCP-UHFFFAOYSA-N 3 2 348.495 1.637 20 0 EDADLP C[C@H](CNC(=O)Nc1cc[nH+]c(N(C)C)c1)C[NH+]1CCN(C)CC1 ZINC000640602792 451450419 /nfs/dbraw/zinc/45/04/19/451450419.db2.gz DNCJFCUZJCECAU-CQSZACIVSA-N 2 2 334.468 1.153 20 0 EDADLP C[C@H](CNC(=O)Nc1cc[nH+]c(N(C)C)c1)CN1CC[NH+](C)CC1 ZINC000640602792 451450423 /nfs/dbraw/zinc/45/04/23/451450423.db2.gz DNCJFCUZJCECAU-CQSZACIVSA-N 2 2 334.468 1.153 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000640609186 451456961 /nfs/dbraw/zinc/45/69/61/451456961.db2.gz KRRTUARHKCHUHZ-UHFFFAOYSA-N 2 2 340.431 1.892 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000638376039 451471377 /nfs/dbraw/zinc/47/13/77/451471377.db2.gz GYQSFXHRRUYLLO-SFHVURJKSA-N 2 2 332.492 1.246 20 0 EDADLP CC(C)N1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634703225 451478671 /nfs/dbraw/zinc/47/86/71/451478671.db2.gz RTTSWVKIUANSBZ-MJGOQNOKSA-N 2 2 331.460 1.222 20 0 EDADLP CC(C)N1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634703225 451478674 /nfs/dbraw/zinc/47/86/74/451478674.db2.gz RTTSWVKIUANSBZ-MJGOQNOKSA-N 2 2 331.460 1.222 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@H]1CCn2c[nH+]cc2C1 ZINC000636074807 451490741 /nfs/dbraw/zinc/49/07/41/451490741.db2.gz NUGSKOLFNCJDOZ-CMPLNLGQSA-N 2 2 327.310 1.704 20 0 EDADLP O[C@@]1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634711952 451490798 /nfs/dbraw/zinc/49/07/98/451490798.db2.gz XCNXAHQPTCHOBI-IEBWSBKVSA-N 3 2 326.444 1.425 20 0 EDADLP O[C@@]1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711952 451490802 /nfs/dbraw/zinc/49/08/02/451490802.db2.gz XCNXAHQPTCHOBI-IEBWSBKVSA-N 3 2 326.444 1.425 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000640601686 451448545 /nfs/dbraw/zinc/44/85/45/451448545.db2.gz MGTZZMCIXBSAMW-AWEZNQCLSA-N 2 2 333.436 1.334 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)NCC(C)(C)n2cc[nH+]c2)cc1 ZINC000632733516 451548924 /nfs/dbraw/zinc/54/89/24/451548924.db2.gz VMAYFKYGMAQEMY-UHFFFAOYSA-N 2 2 336.461 1.658 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+]CCC3CCOCC3)CC2)cc[nH+]1 ZINC000638461703 451526956 /nfs/dbraw/zinc/52/69/56/451526956.db2.gz FWRKGBNEWKOCQS-UHFFFAOYSA-N 3 2 332.492 2.000 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]CC(=O)NCCc2ccccc2)CC1 ZINC000638527365 451559474 /nfs/dbraw/zinc/55/94/74/451559474.db2.gz ROFFPMGFEQKHFG-UHFFFAOYSA-N 2 2 333.476 1.170 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC[C@@H]4C[NH2+]CC[C@@H]43)nc[nH+]2)CC1 ZINC000634812960 451566749 /nfs/dbraw/zinc/56/67/49/451566749.db2.gz VOZSVONLJUHSHH-CABCVRRESA-N 2 2 331.464 1.406 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC[C@@H]4C[NH2+]CC[C@@H]43)[nH+]cn2)CC1 ZINC000634812960 451566753 /nfs/dbraw/zinc/56/67/53/451566753.db2.gz VOZSVONLJUHSHH-CABCVRRESA-N 2 2 331.464 1.406 20 0 EDADLP CC(C)n1ncnc1CNCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000631080256 451572803 /nfs/dbraw/zinc/57/28/03/451572803.db2.gz VJBZMLNODSYKJZ-UHFFFAOYSA-N 2 2 334.512 1.899 20 0 EDADLP COc1ccc(C[NH+]2CCC(CNc3nc(C)[nH+]c(N)n3)CC2)cc1 ZINC000631085415 451575281 /nfs/dbraw/zinc/57/52/81/451575281.db2.gz UGCUJAKAYCJUJV-UHFFFAOYSA-N 2 2 342.447 1.517 20 0 EDADLP COc1ccc(C[NH+]2CCC(CNc3nc(N)nc(C)[nH+]3)CC2)cc1 ZINC000631085415 451575287 /nfs/dbraw/zinc/57/52/87/451575287.db2.gz UGCUJAKAYCJUJV-UHFFFAOYSA-N 2 2 342.447 1.517 20 0 EDADLP Cc1cc(NCCNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000638583945 451589370 /nfs/dbraw/zinc/58/93/70/451589370.db2.gz OTSCDFSXRHRXSK-ZBFHGGJFSA-N 2 2 347.507 2.462 20 0 EDADLP CN(C)C1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCC1 ZINC000631116751 451592379 /nfs/dbraw/zinc/59/23/79/451592379.db2.gz AFZVFEQYHQMPEW-UHFFFAOYSA-N 2 2 347.503 1.972 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000632848419 451611999 /nfs/dbraw/zinc/61/19/99/451611999.db2.gz AMJGQEYSBHIMJW-OAHLLOKOSA-N 2 2 337.468 1.688 20 0 EDADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)c1 ZINC000638563940 451578781 /nfs/dbraw/zinc/57/87/81/451578781.db2.gz UIIMYOXBFCWLCC-UHFFFAOYSA-N 2 2 337.445 1.669 20 0 EDADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)c1 ZINC000638563940 451578784 /nfs/dbraw/zinc/57/87/84/451578784.db2.gz UIIMYOXBFCWLCC-UHFFFAOYSA-N 2 2 337.445 1.669 20 0 EDADLP O=C1[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCN1C1CCOCC1 ZINC000631206736 451639299 /nfs/dbraw/zinc/63/92/99/451639299.db2.gz CHQIKNDMRRXLAD-MRXNPFEDSA-N 2 2 346.456 1.803 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)C1 ZINC000634992128 451640014 /nfs/dbraw/zinc/64/00/14/451640014.db2.gz FINNUSVSFIOMTO-FXQQTDPRSA-N 2 2 334.508 1.051 20 0 EDADLP c1nc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc2c1OCCO2 ZINC000638669297 451642264 /nfs/dbraw/zinc/64/22/64/451642264.db2.gz QRIXHAJXMKBAQK-AWEZNQCLSA-N 2 2 333.432 1.443 20 0 EDADLP Cn1ncc(Br)c1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000635015395 451649699 /nfs/dbraw/zinc/64/96/99/451649699.db2.gz ASYHWPWFTUHORA-CHWSQXEVSA-N 2 2 329.242 1.039 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)CC(C)(C)C ZINC000636288851 451657931 /nfs/dbraw/zinc/65/79/31/451657931.db2.gz NKWVBPTYRXVXBO-QGZVFWFLSA-N 2 2 348.491 1.377 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)CC(C)(C)C ZINC000636288851 451657939 /nfs/dbraw/zinc/65/79/39/451657939.db2.gz NKWVBPTYRXVXBO-QGZVFWFLSA-N 2 2 348.491 1.377 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)CC(C)(C)C ZINC000636288851 451657949 /nfs/dbraw/zinc/65/79/49/451657949.db2.gz NKWVBPTYRXVXBO-QGZVFWFLSA-N 2 2 348.491 1.377 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)CC(C)(C)C ZINC000636288851 451657957 /nfs/dbraw/zinc/65/79/57/451657957.db2.gz NKWVBPTYRXVXBO-QGZVFWFLSA-N 2 2 348.491 1.377 20 0 EDADLP CN1CCCC[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1=O ZINC000636312011 451674254 /nfs/dbraw/zinc/67/42/54/451674254.db2.gz KFMXAOPOCJQLHH-HNNXBMFYSA-N 2 2 345.447 1.030 20 0 EDADLP CCn1ncnc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000638774161 451686542 /nfs/dbraw/zinc/68/65/42/451686542.db2.gz FRKJEJYZWCQWQP-UHFFFAOYSA-N 2 2 329.452 1.836 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000636472468 451725919 /nfs/dbraw/zinc/72/59/19/451725919.db2.gz CTFUUIDQOUKRJQ-UHFFFAOYSA-N 2 2 335.452 1.139 20 0 EDADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccco1 ZINC000637139025 451738520 /nfs/dbraw/zinc/73/85/20/451738520.db2.gz AVFGLFMXYMYKOJ-RRFJBIMHSA-N 2 2 338.452 1.339 20 0 EDADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)c1ccco1 ZINC000637139025 451738522 /nfs/dbraw/zinc/73/85/22/451738522.db2.gz AVFGLFMXYMYKOJ-RRFJBIMHSA-N 2 2 338.452 1.339 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000641157873 451765168 /nfs/dbraw/zinc/76/51/68/451765168.db2.gz LYDQWXWPJGKKGY-RDTXWAMCSA-N 2 2 344.459 1.294 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000641215650 451784887 /nfs/dbraw/zinc/78/48/87/451784887.db2.gz CPWMXSZYGZRENI-INMHGKMJSA-N 3 2 337.512 1.066 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000641215650 451784889 /nfs/dbraw/zinc/78/48/89/451784889.db2.gz CPWMXSZYGZRENI-INMHGKMJSA-N 3 2 337.512 1.066 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000641316986 451839771 /nfs/dbraw/zinc/83/97/71/451839771.db2.gz XHNHEPIMGKHQNO-INIZCTEOSA-N 2 2 349.500 1.533 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000641316986 451839777 /nfs/dbraw/zinc/83/97/77/451839777.db2.gz XHNHEPIMGKHQNO-INIZCTEOSA-N 2 2 349.500 1.533 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)N2CC[NH+](C)CC2)cc1 ZINC000637385201 451814569 /nfs/dbraw/zinc/81/45/69/451814569.db2.gz FINLUXRYEVSKLE-MRXNPFEDSA-N 2 2 332.448 1.227 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)N2CC[NH+](C)CC2)cc1 ZINC000637385201 451814573 /nfs/dbraw/zinc/81/45/73/451814573.db2.gz FINLUXRYEVSKLE-MRXNPFEDSA-N 2 2 332.448 1.227 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000639325783 451827287 /nfs/dbraw/zinc/82/72/87/451827287.db2.gz BVFXOTTXJADSFP-MHJFOBGBSA-N 2 2 339.487 1.992 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000639325783 451827290 /nfs/dbraw/zinc/82/72/90/451827290.db2.gz BVFXOTTXJADSFP-MHJFOBGBSA-N 2 2 339.487 1.992 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000653298616 451827750 /nfs/dbraw/zinc/82/77/50/451827750.db2.gz ZAXPPUIUQNWILX-GOEBONIOSA-N 2 2 327.432 1.300 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000653298616 451827753 /nfs/dbraw/zinc/82/77/53/451827753.db2.gz ZAXPPUIUQNWILX-GOEBONIOSA-N 2 2 327.432 1.300 20 0 EDADLP Cc1cc(NCCNC(=O)N(C)C[C@H]2CCC[N@H+]2C)nc(C(C)C)[nH+]1 ZINC000637413603 451842196 /nfs/dbraw/zinc/84/21/96/451842196.db2.gz VOODRBHTSCIBEV-OAHLLOKOSA-N 2 2 348.495 2.056 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641319796 451842643 /nfs/dbraw/zinc/84/26/43/451842643.db2.gz VRRRCUILNJJLTR-AWEZNQCLSA-N 2 2 339.505 1.683 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641319796 451842650 /nfs/dbraw/zinc/84/26/50/451842650.db2.gz VRRRCUILNJJLTR-AWEZNQCLSA-N 2 2 339.505 1.683 20 0 EDADLP CC[C@H](C)[NH+](C)CCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641319796 451842654 /nfs/dbraw/zinc/84/26/54/451842654.db2.gz VRRRCUILNJJLTR-AWEZNQCLSA-N 2 2 339.505 1.683 20 0 EDADLP CC[C@H](C)[NH+](C)CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641319796 451842661 /nfs/dbraw/zinc/84/26/61/451842661.db2.gz VRRRCUILNJJLTR-AWEZNQCLSA-N 2 2 339.505 1.683 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000651477537 451851511 /nfs/dbraw/zinc/85/15/11/451851511.db2.gz BUKLPINADOHEFZ-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@H](C)O1 ZINC000644570036 451867693 /nfs/dbraw/zinc/86/76/93/451867693.db2.gz VWBCGTPNSYDVDH-VBQJREDUSA-N 2 2 349.450 1.909 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@H](C)O1 ZINC000644570036 451867700 /nfs/dbraw/zinc/86/77/00/451867700.db2.gz VWBCGTPNSYDVDH-VBQJREDUSA-N 2 2 349.450 1.909 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)C[NH+]1CCOCC1 ZINC000644571966 451868770 /nfs/dbraw/zinc/86/87/70/451868770.db2.gz SOFXVIYTWYLLAE-HZPDHXFCSA-N 2 2 347.459 1.466 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000653356346 451869187 /nfs/dbraw/zinc/86/91/87/451869187.db2.gz NHMRZGQMKQVYIW-UHFFFAOYSA-N 2 2 345.447 1.045 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000653356346 451869194 /nfs/dbraw/zinc/86/91/94/451869194.db2.gz NHMRZGQMKQVYIW-UHFFFAOYSA-N 2 2 345.447 1.045 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)[C@H]3CN(C)CCO3)c2cc1C ZINC000644602906 451889027 /nfs/dbraw/zinc/88/90/27/451889027.db2.gz TVPODFQQBWHOCS-GPMSIDNRSA-N 2 2 346.475 1.323 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649213591 451908572 /nfs/dbraw/zinc/90/85/72/451908572.db2.gz AFZQPIYBOMYGIO-CRAIPNDOSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649213591 451908578 /nfs/dbraw/zinc/90/85/78/451908578.db2.gz AFZQPIYBOMYGIO-CRAIPNDOSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCc2cncn2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649213591 451908585 /nfs/dbraw/zinc/90/85/85/451908585.db2.gz AFZQPIYBOMYGIO-CRAIPNDOSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCc2cncn2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649213591 451908594 /nfs/dbraw/zinc/90/85/94/451908594.db2.gz AFZQPIYBOMYGIO-CRAIPNDOSA-N 2 2 345.491 1.072 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000642694565 451920804 /nfs/dbraw/zinc/92/08/04/451920804.db2.gz PARAFAJTUXCYIK-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000641391447 451928020 /nfs/dbraw/zinc/92/80/20/451928020.db2.gz OGAQIMWLMVISCR-HOCLYGCPSA-N 2 2 338.477 1.162 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000641391447 451928025 /nfs/dbraw/zinc/92/80/25/451928025.db2.gz OGAQIMWLMVISCR-HOCLYGCPSA-N 2 2 338.477 1.162 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000639546685 451938453 /nfs/dbraw/zinc/93/84/53/451938453.db2.gz QAFOPZOSQGPWBH-HZPDHXFCSA-N 2 2 345.443 1.241 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000639546685 451938460 /nfs/dbraw/zinc/93/84/60/451938460.db2.gz QAFOPZOSQGPWBH-HZPDHXFCSA-N 2 2 345.443 1.241 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)C[N@@H+]1CCO ZINC000642739076 451945229 /nfs/dbraw/zinc/94/52/29/451945229.db2.gz MDBSYPDMHIHCBT-CVEARBPZSA-N 2 2 346.475 1.099 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)C[N@H+]1CCO ZINC000642739076 451945235 /nfs/dbraw/zinc/94/52/35/451945235.db2.gz MDBSYPDMHIHCBT-CVEARBPZSA-N 2 2 346.475 1.099 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C3CCC([NH3+])CC3)CCCC2)no1 ZINC000649307769 451984425 /nfs/dbraw/zinc/98/44/25/451984425.db2.gz IILKRNZBHVUOED-UHFFFAOYSA-N 2 2 335.452 1.534 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000651649192 451990727 /nfs/dbraw/zinc/99/07/27/451990727.db2.gz XOOLFYJPYCQZAQ-LJQANCHMSA-N 2 2 327.472 1.914 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000651649192 451990732 /nfs/dbraw/zinc/99/07/32/451990732.db2.gz XOOLFYJPYCQZAQ-LJQANCHMSA-N 2 2 327.472 1.914 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)c1 ZINC000649322338 452001790 /nfs/dbraw/zinc/00/17/90/452001790.db2.gz NWTXQSMMCWYPMJ-NVXWUHKLSA-N 2 2 347.459 1.136 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@H]1C ZINC000649324460 452003389 /nfs/dbraw/zinc/00/33/89/452003389.db2.gz KPTOZMXRZBERPV-XUJVJEKNSA-N 2 2 325.840 1.253 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@H]1C ZINC000649324460 452003392 /nfs/dbraw/zinc/00/33/92/452003392.db2.gz KPTOZMXRZBERPV-XUJVJEKNSA-N 2 2 325.840 1.253 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH3+])[C@H](C)C1 ZINC000641468712 452004219 /nfs/dbraw/zinc/00/42/19/452004219.db2.gz CVLXIYKVBQOAJM-LSDHHAIUSA-N 2 2 334.464 1.648 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@H](C)[NH3+])[C@H](C)C1 ZINC000641468712 452004223 /nfs/dbraw/zinc/00/42/23/452004223.db2.gz CVLXIYKVBQOAJM-LSDHHAIUSA-N 2 2 334.464 1.648 20 0 EDADLP COCCC1(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC[NH2+]CC1 ZINC000649329999 452012152 /nfs/dbraw/zinc/01/21/52/452012152.db2.gz NYBZTXZQVRCSTD-UHFFFAOYSA-N 2 2 330.432 1.665 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682197 452020785 /nfs/dbraw/zinc/02/07/85/452020785.db2.gz MMLLXWQPEMBROM-UHFFFAOYSA-N 2 2 342.447 1.583 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682197 452020789 /nfs/dbraw/zinc/02/07/89/452020789.db2.gz MMLLXWQPEMBROM-UHFFFAOYSA-N 2 2 342.447 1.583 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)cc1 ZINC000643057553 452028403 /nfs/dbraw/zinc/02/84/03/452028403.db2.gz QETNIJICIFTFPO-LPHOPBHVSA-N 2 2 339.439 1.822 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)cc1 ZINC000643057553 452028409 /nfs/dbraw/zinc/02/84/09/452028409.db2.gz QETNIJICIFTFPO-LPHOPBHVSA-N 2 2 339.439 1.822 20 0 EDADLP C[C@@H](c1nccc(N)n1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000653590185 452029681 /nfs/dbraw/zinc/02/96/81/452029681.db2.gz REHLKNRNBWCLLD-LSVZVQIISA-N 2 2 330.480 1.193 20 0 EDADLP C[C@@H](c1nccc(N)n1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000653590185 452029686 /nfs/dbraw/zinc/02/96/86/452029686.db2.gz REHLKNRNBWCLLD-LSVZVQIISA-N 2 2 330.480 1.193 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCc2cn3c(cccc3C)[nH+]2)C1(C)C ZINC000647098166 452059253 /nfs/dbraw/zinc/05/92/53/452059253.db2.gz HPBXQPXFXBGMRK-HNAYVOBHSA-N 2 2 344.459 1.834 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCc2cn3c(cccc3C)[nH+]2)C1(C)C ZINC000647098164 452059455 /nfs/dbraw/zinc/05/94/55/452059455.db2.gz HPBXQPXFXBGMRK-BEFAXECRSA-N 2 2 344.459 1.834 20 0 EDADLP CCc1ccccc1NC(=O)CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411140 452074399 /nfs/dbraw/zinc/07/43/99/452074399.db2.gz WIAJSZCVUZNJNN-INIZCTEOSA-N 2 2 330.476 1.415 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CC[NH2+]C1 ZINC000649412060 452075096 /nfs/dbraw/zinc/07/50/96/452075096.db2.gz GNWNFVWYWHJONQ-JTQLQIEISA-N 2 2 327.226 1.324 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CC[NH2+]C1 ZINC000649412060 452075104 /nfs/dbraw/zinc/07/51/04/452075104.db2.gz GNWNFVWYWHJONQ-JTQLQIEISA-N 2 2 327.226 1.324 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649412995 452075917 /nfs/dbraw/zinc/07/59/17/452075917.db2.gz HCKNQGXKAZWRSS-FHWLQOOXSA-N 3 2 328.460 1.759 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649412995 452075921 /nfs/dbraw/zinc/07/59/21/452075921.db2.gz HCKNQGXKAZWRSS-FHWLQOOXSA-N 3 2 328.460 1.759 20 0 EDADLP COc1cc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000649414432 452076247 /nfs/dbraw/zinc/07/62/47/452076247.db2.gz ZWVGCWKHOKVGJT-HNNXBMFYSA-N 2 2 349.475 1.440 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000649414432 452076251 /nfs/dbraw/zinc/07/62/51/452076251.db2.gz ZWVGCWKHOKVGJT-HNNXBMFYSA-N 2 2 349.475 1.440 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000649414945 452077625 /nfs/dbraw/zinc/07/76/25/452077625.db2.gz AQVIMBNFMXVFIF-WMZOPIPTSA-N 3 2 336.524 1.439 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000649414945 452077629 /nfs/dbraw/zinc/07/76/29/452077629.db2.gz AQVIMBNFMXVFIF-WMZOPIPTSA-N 3 2 336.524 1.439 20 0 EDADLP O=C1N[C@H]2C[N@H+](Cc3ccncc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000649420760 452083607 /nfs/dbraw/zinc/08/36/07/452083607.db2.gz OMVXAOABWYRFFX-JKSUJKDBSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@H]2C[N@@H+](Cc3ccncc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000649420760 452083610 /nfs/dbraw/zinc/08/36/10/452083610.db2.gz OMVXAOABWYRFFX-JKSUJKDBSA-N 2 2 349.866 1.455 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000637812724 452095105 /nfs/dbraw/zinc/09/51/05/452095105.db2.gz XCIPHIAMOQLPJE-QGZVFWFLSA-N 2 2 347.459 1.095 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000637812724 452095113 /nfs/dbraw/zinc/09/51/13/452095113.db2.gz XCIPHIAMOQLPJE-QGZVFWFLSA-N 2 2 347.459 1.095 20 0 EDADLP c1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CCOCC1 ZINC000643250863 452095204 /nfs/dbraw/zinc/09/52/04/452095204.db2.gz XDWGDOVRKYJJAF-VQTJNVASSA-N 2 2 346.471 1.899 20 0 EDADLP c1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CCOCC1 ZINC000643250863 452095210 /nfs/dbraw/zinc/09/52/10/452095210.db2.gz XDWGDOVRKYJJAF-VQTJNVASSA-N 2 2 346.471 1.899 20 0 EDADLP c1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CCOCC1 ZINC000643250862 452095545 /nfs/dbraw/zinc/09/55/45/452095545.db2.gz XDWGDOVRKYJJAF-UXHICEINSA-N 2 2 346.471 1.899 20 0 EDADLP c1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CCOCC1 ZINC000643250862 452095548 /nfs/dbraw/zinc/09/55/48/452095548.db2.gz XDWGDOVRKYJJAF-UXHICEINSA-N 2 2 346.471 1.899 20 0 EDADLP O[C@@]1(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOC1 ZINC000649478184 452101979 /nfs/dbraw/zinc/10/19/79/452101979.db2.gz WZVGAWDCDGTGPK-INIZCTEOSA-N 2 2 326.360 1.164 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccnn2-c2ccccn2)C[C@@H](C)O1 ZINC000647169571 452104020 /nfs/dbraw/zinc/10/40/20/452104020.db2.gz SCFOOOSIDXGUPG-HZPDHXFCSA-N 2 2 329.448 1.856 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639767635 452109681 /nfs/dbraw/zinc/10/96/81/452109681.db2.gz VRSJTDAZXBOBQE-HKUYNNGSSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639767635 452109685 /nfs/dbraw/zinc/10/96/85/452109685.db2.gz VRSJTDAZXBOBQE-HKUYNNGSSA-N 2 2 336.476 1.432 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768127 452110050 /nfs/dbraw/zinc/11/00/50/452110050.db2.gz XKPAIHAJUITQDF-LZLYRXPVSA-N 2 2 325.497 1.555 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768127 452110054 /nfs/dbraw/zinc/11/00/54/452110054.db2.gz XKPAIHAJUITQDF-LZLYRXPVSA-N 2 2 325.497 1.555 20 0 EDADLP CCOC[C@H](O)C[NH+]1CCN(Cc2cc(OC(C)C)cc[nH+]2)CC1 ZINC000649517793 452121306 /nfs/dbraw/zinc/12/13/06/452121306.db2.gz IBDUKDHRTANXIY-QGZVFWFLSA-N 2 2 337.464 1.384 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1C[C@H]1CCCOC1 ZINC000637864537 452121781 /nfs/dbraw/zinc/12/17/81/452121781.db2.gz SZDUQMCYHHAYSE-SJORKVTESA-N 2 2 348.491 1.246 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1C[C@H]1CCCOC1 ZINC000637864537 452121787 /nfs/dbraw/zinc/12/17/87/452121787.db2.gz SZDUQMCYHHAYSE-SJORKVTESA-N 2 2 348.491 1.246 20 0 EDADLP CC(C)Cn1nccc1C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000647200671 452122032 /nfs/dbraw/zinc/12/20/32/452122032.db2.gz YIMXNQNPXFFRGN-INIZCTEOSA-N 2 2 344.463 1.553 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000653849210 452147436 /nfs/dbraw/zinc/14/74/36/452147436.db2.gz KZCWSZAEKSYBQS-UHFFFAOYSA-N 2 2 341.358 1.214 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000653849210 452147438 /nfs/dbraw/zinc/14/74/38/452147438.db2.gz KZCWSZAEKSYBQS-UHFFFAOYSA-N 2 2 341.358 1.214 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NS(=O)(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000641642329 452159482 /nfs/dbraw/zinc/15/94/82/452159482.db2.gz UVTCNIZVPFRYBP-KRWDZBQOSA-N 2 2 348.472 1.385 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NS(=O)(=O)CCn3cc[nH+]c3)C2)cc1 ZINC000641642329 452159487 /nfs/dbraw/zinc/15/94/87/452159487.db2.gz UVTCNIZVPFRYBP-KRWDZBQOSA-N 2 2 348.472 1.385 20 0 EDADLP CO[C@](C)(CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643406877 452190536 /nfs/dbraw/zinc/19/05/36/452190536.db2.gz JMQBRPWMFARZBV-MAUKXSAKSA-N 2 2 338.496 1.269 20 0 EDADLP CO[C@](C)(CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643406877 452190541 /nfs/dbraw/zinc/19/05/41/452190541.db2.gz JMQBRPWMFARZBV-MAUKXSAKSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(OC(F)F)cc2)CC1=O ZINC000649688113 452198699 /nfs/dbraw/zinc/19/86/99/452198699.db2.gz RJZRWDCCXSKEQT-UHFFFAOYSA-N 2 2 327.375 1.494 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(OC(F)F)cc2)CC1=O ZINC000649688113 452198703 /nfs/dbraw/zinc/19/87/03/452198703.db2.gz RJZRWDCCXSKEQT-UHFFFAOYSA-N 2 2 327.375 1.494 20 0 EDADLP CC(C)[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)[NH+](C)C ZINC000652012507 452222771 /nfs/dbraw/zinc/22/27/71/452222771.db2.gz WASPAPDSSCCRGJ-INIZCTEOSA-N 2 2 332.452 1.232 20 0 EDADLP COC[C@@]1(C)C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000639897722 452224681 /nfs/dbraw/zinc/22/46/81/452224681.db2.gz JEPSKCJJWUVBEW-RTBURBONSA-N 2 2 334.460 1.361 20 0 EDADLP COC[C@@]1(C)C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000639897722 452224689 /nfs/dbraw/zinc/22/46/89/452224689.db2.gz JEPSKCJJWUVBEW-RTBURBONSA-N 2 2 334.460 1.361 20 0 EDADLP COC[C@@]1(C)C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000639897722 452224694 /nfs/dbraw/zinc/22/46/94/452224694.db2.gz JEPSKCJJWUVBEW-RTBURBONSA-N 2 2 334.460 1.361 20 0 EDADLP COC[C@@]1(C)C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000639897722 452224700 /nfs/dbraw/zinc/22/47/00/452224700.db2.gz JEPSKCJJWUVBEW-RTBURBONSA-N 2 2 334.460 1.361 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cn21 ZINC000645267075 452245043 /nfs/dbraw/zinc/24/50/43/452245043.db2.gz BWWJKFGXQKAYEL-CABCVRRESA-N 2 2 329.448 1.967 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cn21 ZINC000645267075 452245051 /nfs/dbraw/zinc/24/50/51/452245051.db2.gz BWWJKFGXQKAYEL-CABCVRRESA-N 2 2 329.448 1.967 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(O)c1 ZINC000641784978 452253104 /nfs/dbraw/zinc/25/31/04/452253104.db2.gz GGUNLLCWGBITQU-AEFFLSMTSA-N 2 2 333.476 1.839 20 0 EDADLP c1cnc2c(c1)[C@H]([NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)CCC2 ZINC000641787128 452260700 /nfs/dbraw/zinc/26/07/00/452260700.db2.gz UDMDEQNNZXZWAE-YLJYHZDGSA-N 2 2 344.503 1.845 20 0 EDADLP CCCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000657464361 452267301 /nfs/dbraw/zinc/26/73/01/452267301.db2.gz XPXHVYRQNAJIHZ-MQVJKMGUSA-N 2 2 333.480 1.466 20 0 EDADLP CCCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000657464361 452267303 /nfs/dbraw/zinc/26/73/03/452267303.db2.gz XPXHVYRQNAJIHZ-MQVJKMGUSA-N 2 2 333.480 1.466 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659426169 452269610 /nfs/dbraw/zinc/26/96/10/452269610.db2.gz SRNXHLALGRVQLA-MRXNPFEDSA-N 2 2 334.464 1.266 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659426169 452269620 /nfs/dbraw/zinc/26/96/20/452269620.db2.gz SRNXHLALGRVQLA-MRXNPFEDSA-N 2 2 334.464 1.266 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)C[C@@H]21 ZINC000643503592 452270249 /nfs/dbraw/zinc/27/02/49/452270249.db2.gz ICYCNNUQYDCCKK-BARDWOONSA-N 2 2 345.447 1.049 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc2c(s1)CCCC2 ZINC000647539472 452271558 /nfs/dbraw/zinc/27/15/58/452271558.db2.gz GILKOYKEINPHIW-CYBMUJFWSA-N 2 2 336.505 1.841 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc2c(s1)CCCC2 ZINC000647539472 452271571 /nfs/dbraw/zinc/27/15/71/452271571.db2.gz GILKOYKEINPHIW-CYBMUJFWSA-N 2 2 336.505 1.841 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000647549117 452278169 /nfs/dbraw/zinc/27/81/69/452278169.db2.gz IVYMMZUIFPHGOY-KFKAGJAMSA-N 3 2 344.503 1.472 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000647549117 452278172 /nfs/dbraw/zinc/27/81/72/452278172.db2.gz IVYMMZUIFPHGOY-KFKAGJAMSA-N 3 2 344.503 1.472 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[N@@H+](C)C(C)(C)C3)[nH+]c12 ZINC000641810873 452291327 /nfs/dbraw/zinc/29/13/27/452291327.db2.gz FBQUHLAQLIZQQF-UHFFFAOYSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[N@H+](C)C(C)(C)C3)[nH+]c12 ZINC000641810873 452291336 /nfs/dbraw/zinc/29/13/36/452291336.db2.gz FBQUHLAQLIZQQF-UHFFFAOYSA-N 2 2 329.448 1.921 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643541167 452302318 /nfs/dbraw/zinc/30/23/18/452302318.db2.gz QCFBEMGXZQASSP-CQSZACIVSA-N 2 2 347.463 1.296 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(CCF)CC2)C1 ZINC000639987987 452319036 /nfs/dbraw/zinc/31/90/36/452319036.db2.gz URCLAJMPMGPQBY-QGZVFWFLSA-N 2 2 343.487 1.531 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(CCF)CC2)C1 ZINC000639987987 452319054 /nfs/dbraw/zinc/31/90/54/452319054.db2.gz URCLAJMPMGPQBY-QGZVFWFLSA-N 2 2 343.487 1.531 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000638051358 452324292 /nfs/dbraw/zinc/32/42/92/452324292.db2.gz GJFQEDORXLUDRH-PKOBYXMFSA-N 2 2 331.460 1.406 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H](C)CCO)CC2)cc1 ZINC000649869977 452331606 /nfs/dbraw/zinc/33/16/06/452331606.db2.gz RBBFIVWQLZQBRZ-MRXNPFEDSA-N 2 2 349.475 1.042 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H](C)CCO)CC2)cc1 ZINC000649869977 452331612 /nfs/dbraw/zinc/33/16/12/452331612.db2.gz RBBFIVWQLZQBRZ-MRXNPFEDSA-N 2 2 349.475 1.042 20 0 EDADLP C[C@@H](CC(=O)NCc1ccncc1OCC[NH+](C)C)n1cc[nH+]c1 ZINC000652227867 452419378 /nfs/dbraw/zinc/41/93/78/452419378.db2.gz PURUZALBTLPQAF-AWEZNQCLSA-N 2 2 331.420 1.486 20 0 EDADLP Cc1cc(CO)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000663748881 452479957 /nfs/dbraw/zinc/47/99/57/452479957.db2.gz VYYLMAUWWGYSBS-JWTNVVGKSA-N 2 2 330.476 1.630 20 0 EDADLP Cc1cc(CO)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000663748881 452479963 /nfs/dbraw/zinc/47/99/63/452479963.db2.gz VYYLMAUWWGYSBS-JWTNVVGKSA-N 2 2 330.476 1.630 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000654430012 452485096 /nfs/dbraw/zinc/48/50/96/452485096.db2.gz AWMMHRLEDDXBAX-YLFCFFPRSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000654430012 452485106 /nfs/dbraw/zinc/48/51/06/452485106.db2.gz AWMMHRLEDDXBAX-YLFCFFPRSA-N 2 2 338.496 1.412 20 0 EDADLP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000655682196 452508300 /nfs/dbraw/zinc/50/83/00/452508300.db2.gz BAAHZTLWMDZTBX-INIZCTEOSA-N 2 2 333.480 1.738 20 0 EDADLP c1cn2c(n1)[C@H]([NH2+]CCC[NH+]1CCN(c3ncccn3)CC1)CCC2 ZINC000655686696 452510766 /nfs/dbraw/zinc/51/07/66/452510766.db2.gz ANTZKNXPUCYBCP-MRXNPFEDSA-N 2 2 341.463 1.310 20 0 EDADLP COCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000655692227 452513843 /nfs/dbraw/zinc/51/38/43/452513843.db2.gz MJVGNQBNTKACKL-QGZVFWFLSA-N 2 2 335.448 1.450 20 0 EDADLP OCCn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655698868 452519585 /nfs/dbraw/zinc/51/95/85/452519585.db2.gz XWDBAWJTOCAFFK-WBVHZDCISA-N 2 2 334.464 1.096 20 0 EDADLP O=C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)N1CCCc2ccccc21 ZINC000655700668 452521269 /nfs/dbraw/zinc/52/12/69/452521269.db2.gz LBCKEDBLQSEYEK-SFHVURJKSA-N 2 2 343.471 1.809 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CN1c1ccccc1 ZINC000655701798 452521532 /nfs/dbraw/zinc/52/15/32/452521532.db2.gz ZZPQWEISEUBJNR-FUHWJXTLSA-N 2 2 329.444 1.635 20 0 EDADLP COc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000655709148 452526323 /nfs/dbraw/zinc/52/63/23/452526323.db2.gz SQPHKGSSZQURBQ-DLBZAZTESA-N 2 2 332.444 1.842 20 0 EDADLP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655711740 452528322 /nfs/dbraw/zinc/52/83/22/452528322.db2.gz LHDCKAJHRGFMRY-OALUTQOASA-N 3 2 337.508 1.473 20 0 EDADLP C[C@@H]1CCC[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652355303 452531945 /nfs/dbraw/zinc/53/19/45/452531945.db2.gz UIVLYFGLSBEGCA-PBHICJAKSA-N 2 2 340.489 1.918 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652355303 452531953 /nfs/dbraw/zinc/53/19/53/452531953.db2.gz UIVLYFGLSBEGCA-PBHICJAKSA-N 2 2 340.489 1.918 20 0 EDADLP C[C@H]1CCC[N@H+](CCOc2cccc(S(C)(=O)=O)c2)[C@@H]1CC[NH3+] ZINC000652355391 452532838 /nfs/dbraw/zinc/53/28/38/452532838.db2.gz XCYDZPPVGMQHDR-WMLDXEAASA-N 2 2 340.489 1.918 20 0 EDADLP C[C@H]1CCC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)[C@@H]1CC[NH3+] ZINC000652355391 452532844 /nfs/dbraw/zinc/53/28/44/452532844.db2.gz XCYDZPPVGMQHDR-WMLDXEAASA-N 2 2 340.489 1.918 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H]2CCCN(c3cc(C)ccc3F)C2=O)C[C@H]1C[NH3+] ZINC000652356887 452535128 /nfs/dbraw/zinc/53/51/28/452535128.db2.gz NGQZAOCKEPFVDA-UWWQBHOKSA-N 2 2 349.450 1.925 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H]2CCCN(c3cc(C)ccc3F)C2=O)C[C@H]1C[NH3+] ZINC000652356887 452535134 /nfs/dbraw/zinc/53/51/34/452535134.db2.gz NGQZAOCKEPFVDA-UWWQBHOKSA-N 2 2 349.450 1.925 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655717248 452535430 /nfs/dbraw/zinc/53/54/30/452535430.db2.gz YYTWXRHIGKCFLU-IBGZPJMESA-N 3 2 338.540 1.103 20 0 EDADLP C1C[C@H]([NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3N3CCOCC3)CC2)CO1 ZINC000655724627 452536726 /nfs/dbraw/zinc/53/67/26/452536726.db2.gz WCUKFJULVPPYKR-FHWLQOOXSA-N 2 2 337.508 1.473 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CCCSCC3)CC2)nc1 ZINC000657834043 452556546 /nfs/dbraw/zinc/55/65/46/452556546.db2.gz YUBWIBRKKZYCDP-INIZCTEOSA-N 2 2 335.521 1.864 20 0 EDADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)nc(N2CCCC2)n1 ZINC000655770814 452569111 /nfs/dbraw/zinc/56/91/11/452569111.db2.gz QGCQSLBNUOXOEW-GOSISDBHSA-N 2 2 345.491 1.728 20 0 EDADLP O=C1Nc2ccccc2CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655791315 452583348 /nfs/dbraw/zinc/58/33/48/452583348.db2.gz MAVJFOXSWWNUNC-AEFFLSMTSA-N 2 2 329.444 1.783 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)CC2 ZINC000652450685 452642879 /nfs/dbraw/zinc/64/28/79/452642879.db2.gz AVRCPLAFYYWENZ-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)COC1(C)C[NH2+]C1)c1ccc(Cl)cc1 ZINC000647914264 452653787 /nfs/dbraw/zinc/65/37/87/452653787.db2.gz IUECRUQVGTUXDS-OAHLLOKOSA-N 2 2 348.834 1.658 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926863 452663270 /nfs/dbraw/zinc/66/32/70/452663270.db2.gz PGCGOWCWHMVCRZ-HNNXBMFYSA-N 2 2 347.459 1.488 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC[C@@H]1[NH3+] ZINC000647937957 452679463 /nfs/dbraw/zinc/67/94/63/452679463.db2.gz FNXPLWGQEQZESN-VBQJREDUSA-N 2 2 349.475 1.940 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC[C@@H]1[NH3+] ZINC000647937957 452679472 /nfs/dbraw/zinc/67/94/72/452679472.db2.gz FNXPLWGQEQZESN-VBQJREDUSA-N 2 2 349.475 1.940 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962182 452705094 /nfs/dbraw/zinc/70/50/94/452705094.db2.gz QRPAJRMOSBDDNJ-JZXOWHBKSA-N 3 2 327.513 1.120 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962182 452705096 /nfs/dbraw/zinc/70/50/96/452705096.db2.gz QRPAJRMOSBDDNJ-JZXOWHBKSA-N 3 2 327.513 1.120 20 0 EDADLP CC[NH+](C)C[C@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962182 452705099 /nfs/dbraw/zinc/70/50/99/452705099.db2.gz QRPAJRMOSBDDNJ-JZXOWHBKSA-N 3 2 327.513 1.120 20 0 EDADLP CC[NH+](C)C[C@H](O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962182 452705102 /nfs/dbraw/zinc/70/51/02/452705102.db2.gz QRPAJRMOSBDDNJ-JZXOWHBKSA-N 3 2 327.513 1.120 20 0 EDADLP CO[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[C@@H]1CCOC1 ZINC000658075620 452716648 /nfs/dbraw/zinc/71/66/48/452716648.db2.gz IPECRSUJAVFEOM-PSBWJHGTSA-N 2 2 333.476 1.933 20 0 EDADLP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)[C@@H]1CCOC1 ZINC000658075620 452716653 /nfs/dbraw/zinc/71/66/53/452716653.db2.gz IPECRSUJAVFEOM-PSBWJHGTSA-N 2 2 333.476 1.933 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000659845308 452731602 /nfs/dbraw/zinc/73/16/02/452731602.db2.gz UKCVHMLCGXRECY-SJLPKXTDSA-N 2 2 339.524 1.658 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000659845308 452731605 /nfs/dbraw/zinc/73/16/05/452731605.db2.gz UKCVHMLCGXRECY-SJLPKXTDSA-N 2 2 339.524 1.658 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)cc2[nH+]1 ZINC000658127060 452740111 /nfs/dbraw/zinc/74/01/11/452740111.db2.gz JQVSETMLOFEKGV-CQSZACIVSA-N 2 2 343.431 1.570 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)cc2[nH+]1 ZINC000658127060 452740119 /nfs/dbraw/zinc/74/01/19/452740119.db2.gz JQVSETMLOFEKGV-CQSZACIVSA-N 2 2 343.431 1.570 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccnn1-c1ccccn1 ZINC000648013435 452754366 /nfs/dbraw/zinc/75/43/66/452754366.db2.gz FZSONASCPIRNGS-KBAYOESNSA-N 2 2 341.459 1.951 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccnn1-c1ccccn1 ZINC000648013435 452754372 /nfs/dbraw/zinc/75/43/72/452754372.db2.gz FZSONASCPIRNGS-KBAYOESNSA-N 2 2 341.459 1.951 20 0 EDADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc3ccnn3c2)CC1 ZINC000648019681 452758083 /nfs/dbraw/zinc/75/80/83/452758083.db2.gz QIJQUCZNPSXUOE-SJORKVTESA-N 2 2 329.448 1.587 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659910215 452799414 /nfs/dbraw/zinc/79/94/14/452799414.db2.gz OELLVOKCTCFVEM-WJFTUGDTSA-N 2 2 348.535 1.536 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659910215 452799419 /nfs/dbraw/zinc/79/94/19/452799419.db2.gz OELLVOKCTCFVEM-WJFTUGDTSA-N 2 2 348.535 1.536 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CCc4ccccc4O3)CC2)CC1 ZINC000662050639 452800674 /nfs/dbraw/zinc/80/06/74/452800674.db2.gz SKRZCWSCCVEIOZ-UHFFFAOYSA-N 2 2 343.471 1.620 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000654724331 452838584 /nfs/dbraw/zinc/83/85/84/452838584.db2.gz CEDOBGDAIXZCGX-IAGOWNOFSA-N 2 2 343.475 1.930 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000654724331 452838590 /nfs/dbraw/zinc/83/85/90/452838590.db2.gz CEDOBGDAIXZCGX-IAGOWNOFSA-N 2 2 343.475 1.930 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654738374 452867133 /nfs/dbraw/zinc/86/71/33/452867133.db2.gz NZFABIHLXYITHZ-YYIAUSFCSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654738374 452867138 /nfs/dbraw/zinc/86/71/38/452867138.db2.gz NZFABIHLXYITHZ-YYIAUSFCSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654738374 452867143 /nfs/dbraw/zinc/86/71/43/452867143.db2.gz NZFABIHLXYITHZ-YYIAUSFCSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654738374 452867152 /nfs/dbraw/zinc/86/71/52/452867152.db2.gz NZFABIHLXYITHZ-YYIAUSFCSA-N 2 2 336.480 1.166 20 0 EDADLP C[C@H](O)[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000658360052 452867983 /nfs/dbraw/zinc/86/79/83/452867983.db2.gz GXLHWOGCOLDXDA-FXAWDEMLSA-N 2 2 347.503 1.495 20 0 EDADLP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000658360052 452867990 /nfs/dbraw/zinc/86/79/90/452867990.db2.gz GXLHWOGCOLDXDA-FXAWDEMLSA-N 2 2 347.503 1.495 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000659983423 452891359 /nfs/dbraw/zinc/89/13/59/452891359.db2.gz MAIYFRIMVGFKAI-DZGCQCFKSA-N 2 2 325.478 1.509 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000659983423 452891336 /nfs/dbraw/zinc/89/13/36/452891336.db2.gz MAIYFRIMVGFKAI-DZGCQCFKSA-N 2 2 325.478 1.509 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000659983423 452891340 /nfs/dbraw/zinc/89/13/40/452891340.db2.gz MAIYFRIMVGFKAI-DZGCQCFKSA-N 2 2 325.478 1.509 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000659983423 452891350 /nfs/dbraw/zinc/89/13/50/452891350.db2.gz MAIYFRIMVGFKAI-DZGCQCFKSA-N 2 2 325.478 1.509 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000659999319 452908240 /nfs/dbraw/zinc/90/82/40/452908240.db2.gz OGNLCNWCRYVTFS-UHFFFAOYSA-N 2 2 334.445 1.697 20 0 EDADLP COc1c(N)[nH+]cnc1N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000656169637 452928007 /nfs/dbraw/zinc/92/80/07/452928007.db2.gz YZEBSTIXHHEBPY-GOSISDBHSA-N 2 2 343.431 1.141 20 0 EDADLP COc1c(N)[nH+]cnc1N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000656169637 452928014 /nfs/dbraw/zinc/92/80/14/452928014.db2.gz YZEBSTIXHHEBPY-GOSISDBHSA-N 2 2 343.431 1.141 20 0 EDADLP COc1c(N)nc[nH+]c1N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000656169637 452928021 /nfs/dbraw/zinc/92/80/21/452928021.db2.gz YZEBSTIXHHEBPY-GOSISDBHSA-N 2 2 343.431 1.141 20 0 EDADLP COc1c(N)nc[nH+]c1N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000656169637 452928026 /nfs/dbraw/zinc/92/80/26/452928026.db2.gz YZEBSTIXHHEBPY-GOSISDBHSA-N 2 2 343.431 1.141 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@]1(C)CC1(F)F ZINC000666599443 453000921 /nfs/dbraw/zinc/00/09/21/453000921.db2.gz JYZZLYQPOYLHQW-OAHLLOKOSA-N 2 2 332.439 1.699 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@]1(C)CC1(F)F ZINC000666599443 453000930 /nfs/dbraw/zinc/00/09/30/453000930.db2.gz JYZZLYQPOYLHQW-OAHLLOKOSA-N 2 2 332.439 1.699 20 0 EDADLP CO[C@H](C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1)C1CCCC1 ZINC000662276530 453001747 /nfs/dbraw/zinc/00/17/47/453001747.db2.gz JUEXLEPCMVLDAB-MRXNPFEDSA-N 2 2 333.480 1.766 20 0 EDADLP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286468 453012446 /nfs/dbraw/zinc/01/24/46/453012446.db2.gz IAJVAKBXYMGLSL-AWEZNQCLSA-N 2 2 345.443 1.656 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317073 453033144 /nfs/dbraw/zinc/03/31/44/453033144.db2.gz MNIQGVOYDOWZCT-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317073 453033158 /nfs/dbraw/zinc/03/31/58/453033158.db2.gz MNIQGVOYDOWZCT-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP CCc1nnc([C@@H](C)N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)[nH]1 ZINC000660107929 453033471 /nfs/dbraw/zinc/03/34/71/453033471.db2.gz UAEZVVYDQAWACM-OAHLLOKOSA-N 2 2 334.512 1.919 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000662319645 453036302 /nfs/dbraw/zinc/03/63/02/453036302.db2.gz PEUDZMGJEQYNDS-OAHLLOKOSA-N 2 2 345.443 1.325 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000662319645 453036308 /nfs/dbraw/zinc/03/63/08/453036308.db2.gz PEUDZMGJEQYNDS-OAHLLOKOSA-N 2 2 345.443 1.325 20 0 EDADLP C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000654928727 453042922 /nfs/dbraw/zinc/04/29/22/453042922.db2.gz KJHQDSJAQQKRCT-TUAOUCFPSA-N 2 2 348.369 1.291 20 0 EDADLP C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000654928727 453042933 /nfs/dbraw/zinc/04/29/33/453042933.db2.gz KJHQDSJAQQKRCT-TUAOUCFPSA-N 2 2 348.369 1.291 20 0 EDADLP CN1CC(=O)N(CC[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)C1=O ZINC000660126708 453051690 /nfs/dbraw/zinc/05/16/90/453051690.db2.gz UEPXLLJZRKQAJC-UHFFFAOYSA-N 2 2 332.448 1.381 20 0 EDADLP CN1CC(=O)N(CC[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)C1=O ZINC000660126708 453051699 /nfs/dbraw/zinc/05/16/99/453051699.db2.gz UEPXLLJZRKQAJC-UHFFFAOYSA-N 2 2 332.448 1.381 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)C2)C1 ZINC000644131024 453067830 /nfs/dbraw/zinc/06/78/30/453067830.db2.gz PWMMNYIBKNALAC-LJQANCHMSA-N 2 2 328.460 1.739 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)C2)C1 ZINC000644131024 453067836 /nfs/dbraw/zinc/06/78/36/453067836.db2.gz PWMMNYIBKNALAC-LJQANCHMSA-N 2 2 328.460 1.739 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000646072038 453086381 /nfs/dbraw/zinc/08/63/81/453086381.db2.gz NTXBNVLIIUELHK-RTBURBONSA-N 2 2 345.487 1.219 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000646072038 453086391 /nfs/dbraw/zinc/08/63/91/453086391.db2.gz NTXBNVLIIUELHK-RTBURBONSA-N 2 2 345.487 1.219 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NCCC1=CCCCC1)CCO2 ZINC000646102379 453103861 /nfs/dbraw/zinc/10/38/61/453103861.db2.gz HINVCIQRBDURGF-UHFFFAOYSA-N 2 2 335.492 1.790 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NCCC1=CCCCC1)CCO2 ZINC000646102379 453103865 /nfs/dbraw/zinc/10/38/65/453103865.db2.gz HINVCIQRBDURGF-UHFFFAOYSA-N 2 2 335.492 1.790 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)[C@@H]1C ZINC000646101984 453104907 /nfs/dbraw/zinc/10/49/07/453104907.db2.gz AYWOYUUADANAFH-ZACQAIPSSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)[C@@H]1C ZINC000646101984 453104912 /nfs/dbraw/zinc/10/49/12/453104912.db2.gz AYWOYUUADANAFH-ZACQAIPSSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103773 453106036 /nfs/dbraw/zinc/10/60/36/453106036.db2.gz OAQIHPSKPAFIEJ-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103773 453106042 /nfs/dbraw/zinc/10/60/42/453106042.db2.gz OAQIHPSKPAFIEJ-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000651029350 453204386 /nfs/dbraw/zinc/20/43/86/453204386.db2.gz NBTKKJNLIVQXGJ-WBVHZDCISA-N 2 2 334.464 1.227 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000651029350 453204393 /nfs/dbraw/zinc/20/43/93/453204393.db2.gz NBTKKJNLIVQXGJ-WBVHZDCISA-N 2 2 334.464 1.227 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000660319360 453211360 /nfs/dbraw/zinc/21/13/60/453211360.db2.gz WXQBNOHZFRBRDD-INIZCTEOSA-N 2 2 335.496 1.495 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000660319360 453211367 /nfs/dbraw/zinc/21/13/67/453211367.db2.gz WXQBNOHZFRBRDD-INIZCTEOSA-N 2 2 335.496 1.495 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc2c(s1)CC[NH2+]C2 ZINC000662506360 453223264 /nfs/dbraw/zinc/22/32/64/453223264.db2.gz JMDNNVFEVMYJHX-ZDUSSCGKSA-N 2 2 328.441 1.798 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)C(F)(F)F ZINC000655104322 453224411 /nfs/dbraw/zinc/22/44/11/453224411.db2.gz CZKIUVQRYOOUFE-TUAOUCFPSA-N 2 2 330.354 1.619 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)C(F)(F)F ZINC000655104322 453224419 /nfs/dbraw/zinc/22/44/19/453224419.db2.gz CZKIUVQRYOOUFE-TUAOUCFPSA-N 2 2 330.354 1.619 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000662510492 453228720 /nfs/dbraw/zinc/22/87/20/453228720.db2.gz TZOBNNOSNMPYPL-HRCADAONSA-N 2 2 341.402 1.579 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000662510492 453228731 /nfs/dbraw/zinc/22/87/31/453228731.db2.gz TZOBNNOSNMPYPL-HRCADAONSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653066926 453244298 /nfs/dbraw/zinc/24/42/98/453244298.db2.gz IGGOVCUTNXMCHN-PBHICJAKSA-N 2 2 346.475 1.919 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000660359558 453244476 /nfs/dbraw/zinc/24/44/76/453244476.db2.gz ZCJLJPHFWHYSOU-UHFFFAOYSA-N 2 2 328.420 1.611 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000660359558 453244488 /nfs/dbraw/zinc/24/44/88/453244488.db2.gz ZCJLJPHFWHYSOU-UHFFFAOYSA-N 2 2 328.420 1.611 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(F)cc1Br ZINC000653074343 453252714 /nfs/dbraw/zinc/25/27/14/453252714.db2.gz FBIMBRNPSQUSMQ-GFCCVEGCSA-N 2 2 332.217 1.483 20 0 EDADLP CC(C)CC(=O)Nc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653076924 453255285 /nfs/dbraw/zinc/25/52/85/453255285.db2.gz JGYJPKQCNLNVQK-MRXNPFEDSA-N 2 2 334.464 1.566 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1[nH+]ccn1C ZINC000660386027 453261826 /nfs/dbraw/zinc/26/18/26/453261826.db2.gz SAFSUJSYHCNLNE-CQSZACIVSA-N 2 2 345.447 1.921 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2c(Br)cccc2C1 ZINC000653084234 453267249 /nfs/dbraw/zinc/26/72/49/453267249.db2.gz ZECGIYIVIGMCBJ-CQSZACIVSA-N 2 2 340.265 1.613 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269714 453275834 /nfs/dbraw/zinc/27/58/34/453275834.db2.gz WTWBSWFZBIQRKK-HIFRSBDPSA-N 2 2 329.803 1.316 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269714 453275843 /nfs/dbraw/zinc/27/58/43/453275843.db2.gz WTWBSWFZBIQRKK-HIFRSBDPSA-N 2 2 329.803 1.316 20 0 EDADLP COc1cccc(-c2noc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n2)c1 ZINC000653101788 453284949 /nfs/dbraw/zinc/28/49/49/453284949.db2.gz GKUNGWNWMSGXNO-RISCZKNCSA-N 2 2 347.419 1.201 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653113945 453302133 /nfs/dbraw/zinc/30/21/33/453302133.db2.gz SAPCEDHRNAFOQT-ZWKOTPCHSA-N 3 2 334.508 1.192 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653123344 453315423 /nfs/dbraw/zinc/31/54/23/453315423.db2.gz VTSKUDLANFPSSI-GUYCJALGSA-N 3 2 329.448 1.637 20 0 EDADLP O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660482593 453339339 /nfs/dbraw/zinc/33/93/39/453339339.db2.gz GLRGKBULINVGQI-WNRNVDISSA-N 2 2 335.492 1.478 20 0 EDADLP O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660482593 453339341 /nfs/dbraw/zinc/33/93/41/453339341.db2.gz GLRGKBULINVGQI-WNRNVDISSA-N 2 2 335.492 1.478 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2cccn2C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662630952 453346930 /nfs/dbraw/zinc/34/69/30/453346930.db2.gz PAIORKIANBDHLQ-LSDHHAIUSA-N 2 2 334.464 1.252 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cccn2C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662630952 453346940 /nfs/dbraw/zinc/34/69/40/453346940.db2.gz PAIORKIANBDHLQ-LSDHHAIUSA-N 2 2 334.464 1.252 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000662630612 453347964 /nfs/dbraw/zinc/34/79/64/453347964.db2.gz GDWJFGAGMFCHKA-QGZVFWFLSA-N 3 2 334.508 1.712 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000662630612 453347971 /nfs/dbraw/zinc/34/79/71/453347971.db2.gz GDWJFGAGMFCHKA-QGZVFWFLSA-N 3 2 334.508 1.712 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000653156778 453348202 /nfs/dbraw/zinc/34/82/02/453348202.db2.gz LLDOQKSUMAEXMR-XHDPSFHLSA-N 2 2 342.846 1.453 20 0 EDADLP Cc1cccc(C(=O)N2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC000656694885 453368109 /nfs/dbraw/zinc/36/81/09/453368109.db2.gz SONWDKMGOYJNBQ-LJQANCHMSA-N 2 2 347.503 1.844 20 0 EDADLP Cc1cccc(C(=O)N2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC000656694885 453368116 /nfs/dbraw/zinc/36/81/16/453368116.db2.gz SONWDKMGOYJNBQ-LJQANCHMSA-N 2 2 347.503 1.844 20 0 EDADLP Cc1cccc(C(=O)N2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)c1 ZINC000656694885 453368126 /nfs/dbraw/zinc/36/81/26/453368126.db2.gz SONWDKMGOYJNBQ-LJQANCHMSA-N 2 2 347.503 1.844 20 0 EDADLP Cc1cccc(C(=O)N2CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)c1 ZINC000656694885 453368136 /nfs/dbraw/zinc/36/81/36/453368136.db2.gz SONWDKMGOYJNBQ-LJQANCHMSA-N 2 2 347.503 1.844 20 0 EDADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000662668682 453381575 /nfs/dbraw/zinc/38/15/75/453381575.db2.gz PDQSOIJEHKFXBV-QGZVFWFLSA-N 2 2 331.460 1.523 20 0 EDADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000662670387 453384849 /nfs/dbraw/zinc/38/48/49/453384849.db2.gz JVDSCTNUNDEHOP-QGZVFWFLSA-N 2 2 341.459 1.367 20 0 EDADLP Cn1c[nH+]c(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000660539736 453385181 /nfs/dbraw/zinc/38/51/81/453385181.db2.gz WFOMXOJPFMURSM-HXUWFJFHSA-N 2 2 339.487 1.812 20 0 EDADLP Cn1c[nH+]c(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000660539736 453385187 /nfs/dbraw/zinc/38/51/87/453385187.db2.gz WFOMXOJPFMURSM-HXUWFJFHSA-N 2 2 339.487 1.812 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCn1cc(Br)cn1 ZINC000660563462 453404865 /nfs/dbraw/zinc/40/48/65/453404865.db2.gz LYNTWPPOUHSBAI-CYBMUJFWSA-N 2 2 333.274 1.279 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCn1cc(Br)cn1 ZINC000660563462 453404868 /nfs/dbraw/zinc/40/48/68/453404868.db2.gz LYNTWPPOUHSBAI-CYBMUJFWSA-N 2 2 333.274 1.279 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000660563462 453404874 /nfs/dbraw/zinc/40/48/74/453404874.db2.gz LYNTWPPOUHSBAI-CYBMUJFWSA-N 2 2 333.274 1.279 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000660563462 453404879 /nfs/dbraw/zinc/40/48/79/453404879.db2.gz LYNTWPPOUHSBAI-CYBMUJFWSA-N 2 2 333.274 1.279 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)[NH+]2CCOCC2)c1 ZINC000662680345 453400610 /nfs/dbraw/zinc/40/06/10/453400610.db2.gz YTBLCXTVHYHDRG-QZTJIDSGSA-N 2 2 345.487 1.873 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2sc(Br)cc2C1 ZINC000662689657 453410045 /nfs/dbraw/zinc/41/00/45/453410045.db2.gz VGTHDGCEIWVEDG-SNVBAGLBSA-N 2 2 346.294 1.674 20 0 EDADLP Cc1cc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cn2cc[nH+]c12 ZINC000667148218 453438543 /nfs/dbraw/zinc/43/85/43/453438543.db2.gz TVAVPWNDIOHUIH-KBPBESRZSA-N 2 2 331.420 1.873 20 0 EDADLP Cc1cc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cn2cc[nH+]c12 ZINC000667148218 453438552 /nfs/dbraw/zinc/43/85/52/453438552.db2.gz TVAVPWNDIOHUIH-KBPBESRZSA-N 2 2 331.420 1.873 20 0 EDADLP CCCN(C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000649000466 453466522 /nfs/dbraw/zinc/46/65/22/453466522.db2.gz WDLZIYHHLRCMKX-OALUTQOASA-N 2 2 345.487 1.830 20 0 EDADLP CCCN(C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000649000466 453466530 /nfs/dbraw/zinc/46/65/30/453466530.db2.gz WDLZIYHHLRCMKX-OALUTQOASA-N 2 2 345.487 1.830 20 0 EDADLP CCCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+](C)C1 ZINC000649000466 453466539 /nfs/dbraw/zinc/46/65/39/453466539.db2.gz WDLZIYHHLRCMKX-OALUTQOASA-N 2 2 345.487 1.830 20 0 EDADLP CCCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+](C)C1 ZINC000649000466 453466546 /nfs/dbraw/zinc/46/65/46/453466546.db2.gz WDLZIYHHLRCMKX-OALUTQOASA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662743729 453471189 /nfs/dbraw/zinc/47/11/89/453471189.db2.gz LLGNNSYDPGLMOQ-MSOLQXFVSA-N 2 2 332.492 1.292 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662743729 453471195 /nfs/dbraw/zinc/47/11/95/453471195.db2.gz LLGNNSYDPGLMOQ-MSOLQXFVSA-N 2 2 332.492 1.292 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662744167 453473386 /nfs/dbraw/zinc/47/33/86/453473386.db2.gz OGKONWGUDNMKOQ-SJORKVTESA-N 2 2 346.475 1.510 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000664935314 453499347 /nfs/dbraw/zinc/49/93/47/453499347.db2.gz YINIVTSBKOCFBZ-OAGGEKHMSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000664935314 453499351 /nfs/dbraw/zinc/49/93/51/453499351.db2.gz YINIVTSBKOCFBZ-OAGGEKHMSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664935314 453499357 /nfs/dbraw/zinc/49/93/57/453499357.db2.gz YINIVTSBKOCFBZ-OAGGEKHMSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664935314 453499362 /nfs/dbraw/zinc/49/93/62/453499362.db2.gz YINIVTSBKOCFBZ-OAGGEKHMSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nccn1C ZINC000667250994 453511411 /nfs/dbraw/zinc/51/14/11/453511411.db2.gz AJYPPWZZRCBZSB-GOEBONIOSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nccn1C ZINC000667250994 453511419 /nfs/dbraw/zinc/51/14/19/453511419.db2.gz AJYPPWZZRCBZSB-GOEBONIOSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000667253114 453513828 /nfs/dbraw/zinc/51/38/28/453513828.db2.gz YHQPHIKSWUKQRM-AWEZNQCLSA-N 2 2 337.468 1.481 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662788134 453522690 /nfs/dbraw/zinc/52/26/90/453522690.db2.gz XSROVRJGQOWGRQ-HNNXBMFYSA-N 2 2 327.375 1.145 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662788134 453522699 /nfs/dbraw/zinc/52/26/99/453522699.db2.gz XSROVRJGQOWGRQ-HNNXBMFYSA-N 2 2 327.375 1.145 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655445507 453532496 /nfs/dbraw/zinc/53/24/96/453532496.db2.gz ZYPZKPQDAKAEOR-FUHWJXTLSA-N 2 2 332.448 1.325 20 0 EDADLP C[C@@H]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000660713585 453541557 /nfs/dbraw/zinc/54/15/57/453541557.db2.gz UNSISBVEWDRITH-HLLBOEOZSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000660713585 453541560 /nfs/dbraw/zinc/54/15/60/453541560.db2.gz UNSISBVEWDRITH-HLLBOEOZSA-N 2 2 338.496 1.412 20 0 EDADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850165 453570970 /nfs/dbraw/zinc/57/09/70/453570970.db2.gz NZTQGEQRULPJKH-HLNWXESRSA-N 2 2 341.455 1.098 20 0 EDADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850165 453570972 /nfs/dbraw/zinc/57/09/72/453570972.db2.gz NZTQGEQRULPJKH-HLNWXESRSA-N 2 2 341.455 1.098 20 0 EDADLP CN(C(=O)[C@](C)([NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900698 453593976 /nfs/dbraw/zinc/59/39/76/453593976.db2.gz OIODDCLGYWOLHA-AZUAARDMSA-N 3 2 344.503 1.487 20 0 EDADLP CN(C(=O)[C@](C)([NH3+])c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900698 453593978 /nfs/dbraw/zinc/59/39/78/453593978.db2.gz OIODDCLGYWOLHA-AZUAARDMSA-N 3 2 344.503 1.487 20 0 EDADLP CN(C(=O)[C@](C)([NH3+])c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900698 453593982 /nfs/dbraw/zinc/59/39/82/453593982.db2.gz OIODDCLGYWOLHA-AZUAARDMSA-N 2 2 344.503 1.487 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662901317 453596004 /nfs/dbraw/zinc/59/60/04/453596004.db2.gz VKHMYHAKDYELDF-RTBURBONSA-N 3 2 344.503 1.622 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662901317 453596010 /nfs/dbraw/zinc/59/60/10/453596010.db2.gz VKHMYHAKDYELDF-RTBURBONSA-N 3 2 344.503 1.622 20 0 EDADLP CC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000665270425 453630826 /nfs/dbraw/zinc/63/08/26/453630826.db2.gz XYYRVCYAAQQVGY-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000665270425 453630830 /nfs/dbraw/zinc/63/08/30/453630830.db2.gz XYYRVCYAAQQVGY-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660891041 453634049 /nfs/dbraw/zinc/63/40/49/453634049.db2.gz SZOQAQJFKPSELP-IRXDYDNUSA-N 2 2 338.496 1.080 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660891041 453634052 /nfs/dbraw/zinc/63/40/52/453634052.db2.gz SZOQAQJFKPSELP-IRXDYDNUSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665291219 453637764 /nfs/dbraw/zinc/63/77/64/453637764.db2.gz XHIWOGSURQNZEA-CYBMUJFWSA-N 3 2 345.447 1.432 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000665291403 453638015 /nfs/dbraw/zinc/63/80/15/453638015.db2.gz BFCABIXRXWIGPF-GDBMZVCRSA-N 3 2 341.459 1.784 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000665291403 453638017 /nfs/dbraw/zinc/63/80/17/453638017.db2.gz BFCABIXRXWIGPF-GDBMZVCRSA-N 3 2 341.459 1.784 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4cccnc4[nH]3)C2)CC1 ZINC000665295093 453640508 /nfs/dbraw/zinc/64/05/08/453640508.db2.gz IWKKQSADIBNIMS-CQSZACIVSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4cccnc4[nH]3)C2)CC1 ZINC000665295093 453640512 /nfs/dbraw/zinc/64/05/12/453640512.db2.gz IWKKQSADIBNIMS-CQSZACIVSA-N 2 2 327.432 1.461 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000659288129 453703281 /nfs/dbraw/zinc/70/32/81/453703281.db2.gz ARIAHTPKGJEDLY-GJZGRUSLSA-N 2 2 334.395 1.517 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NCc1ccc(F)cc1 ZINC000663303700 453763026 /nfs/dbraw/zinc/76/30/26/453763026.db2.gz JHZTXVBAYQQBAW-KBXCAEBGSA-N 2 2 349.450 1.673 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NCc1ccccc1F ZINC000663305332 453763756 /nfs/dbraw/zinc/76/37/56/453763756.db2.gz YDHDHEHQZOAOSH-WMLDXEAASA-N 2 2 349.450 1.673 20 0 EDADLP Cc1ncc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n1C ZINC000657346100 453771302 /nfs/dbraw/zinc/77/13/02/453771302.db2.gz XPQGDKMRDIURNT-IBGZPJMESA-N 2 2 327.476 1.807 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n1C ZINC000657346100 453771306 /nfs/dbraw/zinc/77/13/06/453771306.db2.gz XPQGDKMRDIURNT-IBGZPJMESA-N 3 2 327.476 1.807 20 0 EDADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657398474 453781356 /nfs/dbraw/zinc/78/13/56/453781356.db2.gz BIQFIKVQXFRXMO-QZTJIDSGSA-N 2 2 333.480 1.861 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NC3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000665690155 453789486 /nfs/dbraw/zinc/78/94/86/453789486.db2.gz IKAGGJVRGXIBAD-KGLIPLIRSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NC3CC[NH+](C4CC4)CC3)[nH+]cn2)C1 ZINC000665690155 453789487 /nfs/dbraw/zinc/78/94/87/453789487.db2.gz IKAGGJVRGXIBAD-KGLIPLIRSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661403652 453812017 /nfs/dbraw/zinc/81/20/17/453812017.db2.gz MTAHZOGZGSNVJW-PMPSAXMXSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661403652 453812019 /nfs/dbraw/zinc/81/20/19/453812019.db2.gz MTAHZOGZGSNVJW-PMPSAXMXSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2cscn2)C1 ZINC000661425124 453816656 /nfs/dbraw/zinc/81/66/56/453816656.db2.gz RXGDPCNUHHWYQM-KGLIPLIRSA-N 2 2 340.493 1.267 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2cscn2)C1 ZINC000661425124 453816659 /nfs/dbraw/zinc/81/66/59/453816659.db2.gz RXGDPCNUHHWYQM-KGLIPLIRSA-N 2 2 340.493 1.267 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CC[NH+](C)CC1 ZINC000679994266 486692115 /nfs/dbraw/zinc/69/21/15/486692115.db2.gz QCHZCHIXTMWMEX-HOCLYGCPSA-N 3 2 333.480 1.231 20 0 EDADLP c1ccc2c(c1)C[NH+](CCNc1cc(N3CCOCC3)[nH+]cn1)C2 ZINC000683386664 486703080 /nfs/dbraw/zinc/70/30/80/486703080.db2.gz MCPOWLIYOXULIP-UHFFFAOYSA-N 2 2 325.416 1.741 20 0 EDADLP CC(C)(CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000683382627 486702496 /nfs/dbraw/zinc/70/24/96/486702496.db2.gz ZXOGUHAPGZGDJT-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000683382627 486702500 /nfs/dbraw/zinc/70/25/00/486702500.db2.gz ZXOGUHAPGZGDJT-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667464710 486790875 /nfs/dbraw/zinc/79/08/75/486790875.db2.gz ZYHQJRXPJLBOJT-IBGZPJMESA-N 2 2 334.460 1.743 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667464710 486790882 /nfs/dbraw/zinc/79/08/82/486790882.db2.gz ZYHQJRXPJLBOJT-IBGZPJMESA-N 2 2 334.460 1.743 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2coc(C(N)=O)c2)([NH+]2CCCCC2)CC1 ZINC000680539176 486804607 /nfs/dbraw/zinc/80/46/07/486804607.db2.gz SEYDQQUIJDSHIL-UHFFFAOYSA-N 2 2 348.447 1.059 20 0 EDADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1C(F)(F)F ZINC000667516010 486817331 /nfs/dbraw/zinc/81/73/31/486817331.db2.gz LCHJAAQAYIJHTG-NSHDSACASA-N 2 2 346.353 1.821 20 0 EDADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1C(F)(F)F ZINC000667516010 486817335 /nfs/dbraw/zinc/81/73/35/486817335.db2.gz LCHJAAQAYIJHTG-NSHDSACASA-N 2 2 346.353 1.821 20 0 EDADLP CO[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(O)cc1 ZINC000683851121 486839205 /nfs/dbraw/zinc/83/92/05/486839205.db2.gz PZBJOTDIITUPJW-CRAIPNDOSA-N 2 2 347.459 1.364 20 0 EDADLP CO[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(O)cc1 ZINC000683851121 486839207 /nfs/dbraw/zinc/83/92/07/486839207.db2.gz PZBJOTDIITUPJW-CRAIPNDOSA-N 2 2 347.459 1.364 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCOC[C@@H]3C)CC2)c1 ZINC000676710858 486850325 /nfs/dbraw/zinc/85/03/25/486850325.db2.gz LVOREXNOZZCAQB-SFHVURJKSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCOC[C@@H]3C)CC2)c1 ZINC000676710858 486850331 /nfs/dbraw/zinc/85/03/31/486850331.db2.gz LVOREXNOZZCAQB-SFHVURJKSA-N 2 2 345.487 1.750 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(n3)CCCC4)C2)CC1 ZINC000676782809 486870849 /nfs/dbraw/zinc/87/08/49/486870849.db2.gz GWWKZNUQGLCYHZ-INIZCTEOSA-N 2 2 342.487 1.859 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(n3)CCCC4)C2)CC1 ZINC000676782809 486870852 /nfs/dbraw/zinc/87/08/52/486870852.db2.gz GWWKZNUQGLCYHZ-INIZCTEOSA-N 2 2 342.487 1.859 20 0 EDADLP COC[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H]1CCCO1 ZINC000684008114 486909632 /nfs/dbraw/zinc/90/96/32/486909632.db2.gz POXUQMQUWVOKGX-AYBZRNKSSA-N 2 2 347.459 1.798 20 0 EDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)NCC[NH+]1CCC1)c1ccccc1 ZINC000677015838 486955034 /nfs/dbraw/zinc/95/50/34/486955034.db2.gz IMBNTDGRUYXAGN-MRXNPFEDSA-N 2 2 327.432 1.709 20 0 EDADLP COCCc1ccc(OC[C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000667813367 486978030 /nfs/dbraw/zinc/97/80/30/486978030.db2.gz MNTBIVPJGUUECS-INIZCTEOSA-N 2 2 349.475 1.006 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684198256 486981266 /nfs/dbraw/zinc/98/12/66/486981266.db2.gz KALSGYPSKQZQNA-INIZCTEOSA-N 2 2 343.479 1.349 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684198256 486981268 /nfs/dbraw/zinc/98/12/68/486981268.db2.gz KALSGYPSKQZQNA-INIZCTEOSA-N 2 2 343.479 1.349 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681274425 486998877 /nfs/dbraw/zinc/99/88/77/486998877.db2.gz OUXLYXQMHGEWDN-DOTOQJQBSA-N 3 2 338.540 1.780 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681274425 486998881 /nfs/dbraw/zinc/99/88/81/486998881.db2.gz OUXLYXQMHGEWDN-DOTOQJQBSA-N 3 2 338.540 1.780 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000077805314 487068324 /nfs/dbraw/zinc/06/83/24/487068324.db2.gz ZGPAMJZTYFGZBH-OAHLLOKOSA-N 2 2 333.480 1.936 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000681551681 487083606 /nfs/dbraw/zinc/08/36/06/487083606.db2.gz VAGQJRDMYMCUJE-YVSFHVDLSA-N 2 2 346.475 1.546 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000681551681 487083610 /nfs/dbraw/zinc/08/36/10/487083610.db2.gz VAGQJRDMYMCUJE-YVSFHVDLSA-N 2 2 346.475 1.546 20 0 EDADLP CC[NH+]1CCC(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673769770 487109619 /nfs/dbraw/zinc/10/96/19/487109619.db2.gz YGHKBLIKGMFAIA-UHFFFAOYSA-N 2 2 329.448 1.969 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CCCCS(C)(=O)=O)CC1 ZINC000684627530 487119591 /nfs/dbraw/zinc/11/95/91/487119591.db2.gz DAQXCQCFSANFHJ-UHFFFAOYSA-N 2 2 327.450 1.037 20 0 EDADLP CN1CCC[C@@H]([N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000681711243 487139608 /nfs/dbraw/zinc/13/96/08/487139608.db2.gz GAVCXLPQVUQVMZ-MJGOQNOKSA-N 2 2 331.460 1.176 20 0 EDADLP CN1CCC[C@@H]([N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000681711243 487139613 /nfs/dbraw/zinc/13/96/13/487139613.db2.gz GAVCXLPQVUQVMZ-MJGOQNOKSA-N 2 2 331.460 1.176 20 0 EDADLP CN1CCC[C@@H]([NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000681711243 487139618 /nfs/dbraw/zinc/13/96/18/487139618.db2.gz GAVCXLPQVUQVMZ-MJGOQNOKSA-N 2 2 331.460 1.176 20 0 EDADLP CN1CCC[C@@H]([NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000681711243 487139622 /nfs/dbraw/zinc/13/96/22/487139622.db2.gz GAVCXLPQVUQVMZ-MJGOQNOKSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000677695165 487153249 /nfs/dbraw/zinc/15/32/49/487153249.db2.gz IFFGRDIRKWTFSX-IKGGRYGDSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000677695165 487153251 /nfs/dbraw/zinc/15/32/51/487153251.db2.gz IFFGRDIRKWTFSX-IKGGRYGDSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681754654 487158902 /nfs/dbraw/zinc/15/89/02/487158902.db2.gz ZXDPYRLWCPWBMS-MRXNPFEDSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681754654 487158905 /nfs/dbraw/zinc/15/89/05/487158905.db2.gz ZXDPYRLWCPWBMS-MRXNPFEDSA-N 2 2 331.460 1.824 20 0 EDADLP C[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677894078 487193762 /nfs/dbraw/zinc/19/37/62/487193762.db2.gz FOIHIGUTVZIWIB-HZPDHXFCSA-N 2 2 340.418 1.961 20 0 EDADLP C[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677894078 487193764 /nfs/dbraw/zinc/19/37/64/487193764.db2.gz FOIHIGUTVZIWIB-HZPDHXFCSA-N 2 2 340.418 1.961 20 0 EDADLP CN(C)c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000685460272 487279343 /nfs/dbraw/zinc/27/93/43/487279343.db2.gz BNFOZYLZMPMPSQ-DFNIBXOVSA-N 2 2 343.519 1.890 20 0 EDADLP CN(C)c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000685460272 487279346 /nfs/dbraw/zinc/27/93/46/487279346.db2.gz BNFOZYLZMPMPSQ-DFNIBXOVSA-N 2 2 343.519 1.890 20 0 EDADLP CN(C)c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000685460272 487279350 /nfs/dbraw/zinc/27/93/50/487279350.db2.gz BNFOZYLZMPMPSQ-DFNIBXOVSA-N 2 2 343.519 1.890 20 0 EDADLP CN(C)c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000685460272 487279353 /nfs/dbraw/zinc/27/93/53/487279353.db2.gz BNFOZYLZMPMPSQ-DFNIBXOVSA-N 2 2 343.519 1.890 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000678284848 487281631 /nfs/dbraw/zinc/28/16/31/487281631.db2.gz KJRDVWSQAJOUGR-OAHLLOKOSA-N 2 2 325.478 1.832 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000678284848 487281633 /nfs/dbraw/zinc/28/16/33/487281633.db2.gz KJRDVWSQAJOUGR-OAHLLOKOSA-N 2 2 325.478 1.832 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000678284848 487281634 /nfs/dbraw/zinc/28/16/34/487281634.db2.gz KJRDVWSQAJOUGR-OAHLLOKOSA-N 2 2 325.478 1.832 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000678284848 487281635 /nfs/dbraw/zinc/28/16/35/487281635.db2.gz KJRDVWSQAJOUGR-OAHLLOKOSA-N 2 2 325.478 1.832 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000682515777 487380123 /nfs/dbraw/zinc/38/01/23/487380123.db2.gz WLZFZSNLYWADOQ-BFYDXBDKSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000682515777 487380126 /nfs/dbraw/zinc/38/01/26/487380126.db2.gz WLZFZSNLYWADOQ-BFYDXBDKSA-N 2 2 328.460 1.921 20 0 EDADLP O=C(CC[NH2+]C1(CO)CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000678973382 487383515 /nfs/dbraw/zinc/38/35/15/487383515.db2.gz PUJYXBRNUBRASA-UHFFFAOYSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1F ZINC000679220916 487403232 /nfs/dbraw/zinc/40/32/32/487403232.db2.gz FNOUPCACBRMUMR-JKSUJKDBSA-N 2 2 334.439 1.800 20 0 EDADLP C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1F ZINC000679220916 487403234 /nfs/dbraw/zinc/40/32/34/487403234.db2.gz FNOUPCACBRMUMR-JKSUJKDBSA-N 2 2 334.439 1.800 20 0 EDADLP CCO[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000675462404 487409571 /nfs/dbraw/zinc/40/95/71/487409571.db2.gz QWJMTGDRIKFXFP-WBVHZDCISA-N 2 2 325.497 1.722 20 0 EDADLP CCO[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000675462404 487409574 /nfs/dbraw/zinc/40/95/74/487409574.db2.gz QWJMTGDRIKFXFP-WBVHZDCISA-N 2 2 325.497 1.722 20 0 EDADLP Cn1cc([C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)c2cccc(F)c2)cn1 ZINC000679336280 487415858 /nfs/dbraw/zinc/41/58/58/487415858.db2.gz KTBABZPLSLGZRT-SFHVURJKSA-N 2 2 345.422 1.012 20 0 EDADLP C[C@@H]([NH2+]Cc1nnc2n1CCOC2)c1cccc(OCC[NH+](C)C)c1 ZINC000682915579 487430498 /nfs/dbraw/zinc/43/04/98/487430498.db2.gz ZIDJYILCRXFTBD-CQSZACIVSA-N 2 2 345.447 1.600 20 0 EDADLP Cc1cc2c(cc1C)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)CCCO2 ZINC000675782247 487443515 /nfs/dbraw/zinc/44/35/15/487443515.db2.gz PBJVDKTVAGTREL-QGZVFWFLSA-N 2 2 331.460 1.881 20 0 EDADLP Cc1cccn2cc(CN3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)[nH+]c12 ZINC000675898649 487457882 /nfs/dbraw/zinc/45/78/82/487457882.db2.gz ADMPUKPNUKRMLU-QGZVFWFLSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1cccn2cc(CN3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)[nH+]c12 ZINC000675898649 487457884 /nfs/dbraw/zinc/45/78/84/487457884.db2.gz ADMPUKPNUKRMLU-QGZVFWFLSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000679703420 487459725 /nfs/dbraw/zinc/45/97/25/487459725.db2.gz UWGIIBZKKNQTAM-OAHLLOKOSA-N 2 2 346.475 1.575 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000669556291 485558902 /nfs/dbraw/zinc/55/89/02/485558902.db2.gz AGXAUGFIBVTCSM-DYQSUWPFSA-N 2 2 344.381 1.886 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000669556291 485558907 /nfs/dbraw/zinc/55/89/07/485558907.db2.gz AGXAUGFIBVTCSM-DYQSUWPFSA-N 2 2 344.381 1.886 20 0 EDADLP CCOc1ccc2c(c1)[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])CCO2 ZINC000669564346 485574923 /nfs/dbraw/zinc/57/49/23/485574923.db2.gz VPAJNNSJVRYDPF-CJNGLKHVSA-N 2 2 348.447 1.193 20 0 EDADLP CCOc1ccc2c(c1)[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])CCO2 ZINC000669564346 485574926 /nfs/dbraw/zinc/57/49/26/485574926.db2.gz VPAJNNSJVRYDPF-CJNGLKHVSA-N 2 2 348.447 1.193 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986432 485611430 /nfs/dbraw/zinc/61/14/30/485611430.db2.gz UEDSDIWAINVEOF-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986432 485611434 /nfs/dbraw/zinc/61/14/34/485611434.db2.gz UEDSDIWAINVEOF-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000669590785 485647626 /nfs/dbraw/zinc/64/76/26/485647626.db2.gz ZWYOFWTUSFMOQX-INIZCTEOSA-N 2 2 326.400 1.776 20 0 EDADLP CC[NH+]1CCN(c2ccc([NH2+]CCC(=O)NC(N)=O)c(C)c2)CC1 ZINC000584525227 485870444 /nfs/dbraw/zinc/87/04/44/485870444.db2.gz YHOXXVWIHIVYDH-UHFFFAOYSA-N 2 2 333.436 1.134 20 0 EDADLP O=C(NC[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000261600731 485943233 /nfs/dbraw/zinc/94/32/33/485943233.db2.gz BESRDVKYDTWRNB-CJNGLKHVSA-N 2 2 327.432 1.648 20 0 EDADLP CO[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000668616330 485953533 /nfs/dbraw/zinc/95/35/33/485953533.db2.gz BKZMFVFRUXXAIH-ZWKOTPCHSA-N 2 2 337.508 1.819 20 0 EDADLP CO[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000668616330 485953539 /nfs/dbraw/zinc/95/35/39/485953539.db2.gz BKZMFVFRUXXAIH-ZWKOTPCHSA-N 2 2 337.508 1.819 20 0 EDADLP CN(C(=O)c1ccnn1C(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617409 485956092 /nfs/dbraw/zinc/95/60/92/485956092.db2.gz KMPMLWLEBUSXJP-CYBMUJFWSA-N 2 2 341.406 1.519 20 0 EDADLP CN(C(=O)c1ccnn1C(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617409 485956096 /nfs/dbraw/zinc/95/60/96/485956096.db2.gz KMPMLWLEBUSXJP-CYBMUJFWSA-N 2 2 341.406 1.519 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc4c3OCCCO4)CC2)C1 ZINC000668739713 486112078 /nfs/dbraw/zinc/11/20/78/486112078.db2.gz BLCORSFZTRCDTF-KRWDZBQOSA-N 2 2 332.444 1.879 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc4c3OCCCO4)CC2)C1 ZINC000668739713 486112082 /nfs/dbraw/zinc/11/20/82/486112082.db2.gz BLCORSFZTRCDTF-KRWDZBQOSA-N 2 2 332.444 1.879 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000669439322 486198025 /nfs/dbraw/zinc/19/80/25/486198025.db2.gz LQHJRVKNZMYOGZ-UHFFFAOYSA-N 2 2 332.448 1.200 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000669439322 486198035 /nfs/dbraw/zinc/19/80/35/486198035.db2.gz LQHJRVKNZMYOGZ-UHFFFAOYSA-N 2 2 332.448 1.200 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](c2ccncc2)C2(CO)CCC2)n1C ZINC000668813546 486222017 /nfs/dbraw/zinc/22/20/17/486222017.db2.gz IWCAACWEUPYDKM-INIZCTEOSA-N 2 2 329.448 1.875 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NC/C=C/C[NH3+])cc1 ZINC000668844180 486254241 /nfs/dbraw/zinc/25/42/41/486254241.db2.gz PMWOLTKQDQDJCE-RCAFFNEUSA-N 2 2 332.448 1.182 20 0 EDADLP CN(C)c1cnccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000670077687 486601731 /nfs/dbraw/zinc/60/17/31/486601731.db2.gz ORJUJKOMNODNOO-UHFFFAOYSA-N 2 2 348.495 1.059 20 0 EDADLP CN(C)c1cnccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000670077687 486601739 /nfs/dbraw/zinc/60/17/39/486601739.db2.gz ORJUJKOMNODNOO-UHFFFAOYSA-N 2 2 348.495 1.059 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)Nc2cc[nH+]cc2N(C)C)C[C@@H](C)O1 ZINC000670081319 486607417 /nfs/dbraw/zinc/60/74/17/486607417.db2.gz HGMSOWVLMCEVQF-ZIAGYGMSSA-N 2 2 335.452 1.190 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000670082449 486608426 /nfs/dbraw/zinc/60/84/26/486608426.db2.gz PQQMPQCXLAOUGT-UHFFFAOYSA-N 2 2 347.463 1.336 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCC2(CO)CC2)([NH+]2CCCCC2)CC1 ZINC000304618314 491005311 /nfs/dbraw/zinc/00/53/11/491005311.db2.gz LHJYBBPWSDCNSB-UHFFFAOYSA-N 2 2 338.496 1.008 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCOCC1 ZINC000183497127 534025994 /nfs/dbraw/zinc/02/59/94/534025994.db2.gz MMGUKSYRLPUMNO-MRXNPFEDSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCOCC1 ZINC000183497127 534025998 /nfs/dbraw/zinc/02/59/98/534025998.db2.gz MMGUKSYRLPUMNO-MRXNPFEDSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181024238 534115726 /nfs/dbraw/zinc/11/57/26/534115726.db2.gz KEJRWJRGMRXCHN-XAUMDUMWSA-N 2 2 343.471 1.443 20 0 EDADLP Cc1nc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)sc1C ZINC000175110313 534470966 /nfs/dbraw/zinc/47/09/66/534470966.db2.gz ZKOPTRKJJRQXTN-UHFFFAOYSA-N 2 2 325.482 1.907 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000263113002 535051707 /nfs/dbraw/zinc/05/17/07/535051707.db2.gz DZXKFULUBYVTDY-HNNXBMFYSA-N 2 2 333.367 1.049 20 0 EDADLP CC(C)[C@@H](C(=O)NCCNc1cccc[nH+]1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248204387 535134047 /nfs/dbraw/zinc/13/40/47/535134047.db2.gz ACPJWPWXVWSUFC-INMHGKMJSA-N 2 2 334.464 1.744 20 0 EDADLP CC(C)[NH+]1CCN(C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)CC1 ZINC000270471043 535197664 /nfs/dbraw/zinc/19/76/64/535197664.db2.gz NCICVMRHRHNRSS-UHFFFAOYSA-N 2 2 328.464 1.953 20 0 EDADLP CC(C)N1CC[NH+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)CC1 ZINC000270471043 535197667 /nfs/dbraw/zinc/19/76/67/535197667.db2.gz NCICVMRHRHNRSS-UHFFFAOYSA-N 2 2 328.464 1.953 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352743907 535331375 /nfs/dbraw/zinc/33/13/75/535331375.db2.gz KUCPFQVAEJVWIA-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352743907 535331381 /nfs/dbraw/zinc/33/13/81/535331381.db2.gz KUCPFQVAEJVWIA-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000093046006 535490233 /nfs/dbraw/zinc/49/02/33/535490233.db2.gz XEDZCQRDUXPWLF-UHFFFAOYSA-N 2 2 335.496 1.693 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccccc3)C2)CC1 ZINC000245922862 535737011 /nfs/dbraw/zinc/73/70/11/535737011.db2.gz MXMVJOUHODCRFS-IEBWSBKVSA-N 2 2 344.503 1.403 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NCc3ccccc3)C2)CC1 ZINC000245922862 535737015 /nfs/dbraw/zinc/73/70/15/535737015.db2.gz MXMVJOUHODCRFS-IEBWSBKVSA-N 2 2 344.503 1.403 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000343895899 535781839 /nfs/dbraw/zinc/78/18/39/535781839.db2.gz LFKACNLIHZGIPT-PKOBYXMFSA-N 2 2 344.503 1.655 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000343895899 535781843 /nfs/dbraw/zinc/78/18/43/535781843.db2.gz LFKACNLIHZGIPT-PKOBYXMFSA-N 2 2 344.503 1.655 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000353256225 536136879 /nfs/dbraw/zinc/13/68/79/536136879.db2.gz OPCCUXBKFHKELI-KGLIPLIRSA-N 2 2 330.440 1.147 20 0 EDADLP C[NH2+][C@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1cnn(C)c1 ZINC000262623817 536380007 /nfs/dbraw/zinc/38/00/07/536380007.db2.gz ZWKIEZPQIVQQIV-SFHVURJKSA-N 2 2 341.459 1.068 20 0 EDADLP CC[NH+]1CCN(CC(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000742245563 579445184 /nfs/dbraw/zinc/44/51/84/579445184.db2.gz OGIKFBBFMQQVAG-UHFFFAOYSA-N 2 2 328.420 1.152 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000726256339 578339023 /nfs/dbraw/zinc/33/90/23/578339023.db2.gz ODPFJQWZENHUGS-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000726256339 578339024 /nfs/dbraw/zinc/33/90/24/578339024.db2.gz ODPFJQWZENHUGS-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000726256339 578339025 /nfs/dbraw/zinc/33/90/25/578339025.db2.gz ODPFJQWZENHUGS-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000726256339 578339026 /nfs/dbraw/zinc/33/90/26/578339026.db2.gz ODPFJQWZENHUGS-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP COc1ccc([C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000726796501 578361566 /nfs/dbraw/zinc/36/15/66/578361566.db2.gz CCJXFSJAQQMGSF-UYAOXDASSA-N 2 2 344.455 1.811 20 0 EDADLP COc1ccc([C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000726796501 578361568 /nfs/dbraw/zinc/36/15/68/578361568.db2.gz CCJXFSJAQQMGSF-UYAOXDASSA-N 2 2 344.455 1.811 20 0 EDADLP C[C@@H](c1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[NH+]1CCOCC1 ZINC000729408887 578570409 /nfs/dbraw/zinc/57/04/09/578570409.db2.gz DEGIPFSZVXCKSL-INIZCTEOSA-N 2 2 347.459 1.741 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000729920161 578599466 /nfs/dbraw/zinc/59/94/66/578599466.db2.gz IGZBRSCRGWCHLW-HNNXBMFYSA-N 2 2 342.399 1.485 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000729920161 578599467 /nfs/dbraw/zinc/59/94/67/578599467.db2.gz IGZBRSCRGWCHLW-HNNXBMFYSA-N 2 2 342.399 1.485 20 0 EDADLP CN(C(=O)/C=C\c1cncc(F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565027 578718607 /nfs/dbraw/zinc/71/86/07/578718607.db2.gz TWAHIFGUAAYYFW-JXCVUKRWSA-N 2 2 346.450 1.861 20 0 EDADLP CN(C(=O)/C=C\c1cncc(F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565027 578718609 /nfs/dbraw/zinc/71/86/09/578718609.db2.gz TWAHIFGUAAYYFW-JXCVUKRWSA-N 2 2 346.450 1.861 20 0 EDADLP CCOCCCNC(=S)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732720562 578725564 /nfs/dbraw/zinc/72/55/64/578725564.db2.gz KOZCHAINLVTFDP-AWEZNQCLSA-N 2 2 328.526 1.046 20 0 EDADLP CCOCCCNC(=S)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732720562 578725565 /nfs/dbraw/zinc/72/55/65/578725565.db2.gz KOZCHAINLVTFDP-AWEZNQCLSA-N 2 2 328.526 1.046 20 0 EDADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000735330649 578876710 /nfs/dbraw/zinc/87/67/10/578876710.db2.gz GQGCNFFAATWKDR-WMZOPIPTSA-N 2 2 333.476 1.595 20 0 EDADLP CCC[NH+](C)CC(=O)N1CC[N@H+](C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000735330649 578876711 /nfs/dbraw/zinc/87/67/11/578876711.db2.gz GQGCNFFAATWKDR-WMZOPIPTSA-N 2 2 333.476 1.595 20 0 EDADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000735330649 578876712 /nfs/dbraw/zinc/87/67/12/578876712.db2.gz GQGCNFFAATWKDR-WMZOPIPTSA-N 2 2 333.476 1.595 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCOc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000736224696 578964740 /nfs/dbraw/zinc/96/47/40/578964740.db2.gz AAXGMJDLPGKLMU-KBPBESRZSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCOc2ccccc2-c2nn[nH]n2)CC[N@H+]1C ZINC000736224696 578964741 /nfs/dbraw/zinc/96/47/41/578964741.db2.gz AAXGMJDLPGKLMU-KBPBESRZSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccccc2-c2nn[nH]n2)CC[NH+]1C ZINC000736224696 578964742 /nfs/dbraw/zinc/96/47/42/578964742.db2.gz AAXGMJDLPGKLMU-KBPBESRZSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2-c2nn[nH]n2)CC[NH+]1C ZINC000736224696 578964743 /nfs/dbraw/zinc/96/47/43/578964743.db2.gz AAXGMJDLPGKLMU-KBPBESRZSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000736225828 578964919 /nfs/dbraw/zinc/96/49/19/578964919.db2.gz FCRHSDQRERSBOO-IUODEOHRSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000736225828 578964920 /nfs/dbraw/zinc/96/49/20/578964920.db2.gz FCRHSDQRERSBOO-IUODEOHRSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736225828 578964921 /nfs/dbraw/zinc/96/49/21/578964921.db2.gz FCRHSDQRERSBOO-IUODEOHRSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736225828 578964922 /nfs/dbraw/zinc/96/49/22/578964922.db2.gz FCRHSDQRERSBOO-IUODEOHRSA-N 2 2 343.435 1.220 20 0 EDADLP CCCN1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@@H]1CC ZINC000761307697 580054667 /nfs/dbraw/zinc/05/46/67/580054667.db2.gz ZRGJJYOCCLEXDE-HOTGVXAUSA-N 2 2 336.480 1.608 20 0 EDADLP CCCN1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@@H]1CC ZINC000761307697 580054668 /nfs/dbraw/zinc/05/46/68/580054668.db2.gz ZRGJJYOCCLEXDE-HOTGVXAUSA-N 2 2 336.480 1.608 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000746322175 579587227 /nfs/dbraw/zinc/58/72/27/579587227.db2.gz VXLHCVGVOCRNMR-UHFFFAOYSA-N 2 2 347.450 1.677 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000746322175 579587228 /nfs/dbraw/zinc/58/72/28/579587228.db2.gz VXLHCVGVOCRNMR-UHFFFAOYSA-N 2 2 347.450 1.677 20 0 EDADLP O=C(Cn1cc[nH+]c1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000746334745 579588056 /nfs/dbraw/zinc/58/80/56/579588056.db2.gz PLPUWXPJIOGAND-GOSISDBHSA-N 2 2 342.443 1.445 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000746511755 579599111 /nfs/dbraw/zinc/59/91/11/579599111.db2.gz KQDZGFKZIDDCRY-UHFFFAOYSA-N 2 2 325.376 1.353 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777536752 580443870 /nfs/dbraw/zinc/44/38/70/580443870.db2.gz OHMCURKXFPFAFX-KRWDZBQOSA-N 2 2 335.492 1.637 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777536752 580443871 /nfs/dbraw/zinc/44/38/71/580443871.db2.gz OHMCURKXFPFAFX-KRWDZBQOSA-N 2 2 335.492 1.637 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777536752 580443872 /nfs/dbraw/zinc/44/38/72/580443872.db2.gz OHMCURKXFPFAFX-KRWDZBQOSA-N 2 2 335.492 1.637 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777536752 580443873 /nfs/dbraw/zinc/44/38/73/580443873.db2.gz OHMCURKXFPFAFX-KRWDZBQOSA-N 2 2 335.492 1.637 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000749324188 579721598 /nfs/dbraw/zinc/72/15/98/579721598.db2.gz JYUFIGPWPLLCOP-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000749324188 579721599 /nfs/dbraw/zinc/72/15/99/579721599.db2.gz JYUFIGPWPLLCOP-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccn1 ZINC000749515576 579729344 /nfs/dbraw/zinc/72/93/44/579729344.db2.gz VDEWWUXHRVRLHX-MAUKXSAKSA-N 2 2 328.460 1.647 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccn1 ZINC000749515576 579729346 /nfs/dbraw/zinc/72/93/46/579729346.db2.gz VDEWWUXHRVRLHX-MAUKXSAKSA-N 2 2 328.460 1.647 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccccn1 ZINC000749515576 579729347 /nfs/dbraw/zinc/72/93/47/579729347.db2.gz VDEWWUXHRVRLHX-MAUKXSAKSA-N 2 2 328.460 1.647 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1ccccn1 ZINC000749515576 579729349 /nfs/dbraw/zinc/72/93/49/579729349.db2.gz VDEWWUXHRVRLHX-MAUKXSAKSA-N 2 2 328.460 1.647 20 0 EDADLP CNc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000762261617 580070933 /nfs/dbraw/zinc/07/09/33/580070933.db2.gz HLKAUFFKTSCDHD-CYBMUJFWSA-N 2 2 337.493 1.425 20 0 EDADLP CNc1nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000762261617 580070934 /nfs/dbraw/zinc/07/09/34/580070934.db2.gz HLKAUFFKTSCDHD-CYBMUJFWSA-N 2 2 337.493 1.425 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](F)Cc3ccccc3)C2)CC1 ZINC000778272253 580460468 /nfs/dbraw/zinc/46/04/68/580460468.db2.gz FTMJCEXYFPCDER-FUHWJXTLSA-N 2 2 333.451 1.852 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](F)Cc3ccccc3)C2)CC1 ZINC000778272253 580460469 /nfs/dbraw/zinc/46/04/69/580460469.db2.gz FTMJCEXYFPCDER-FUHWJXTLSA-N 2 2 333.451 1.852 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000767843712 580201857 /nfs/dbraw/zinc/20/18/57/580201857.db2.gz VLZCSEFDJUZRBP-ZNMIVQPWSA-N 2 2 335.452 1.028 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000767843712 580201858 /nfs/dbraw/zinc/20/18/58/580201858.db2.gz VLZCSEFDJUZRBP-ZNMIVQPWSA-N 2 2 335.452 1.028 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000769315739 580233457 /nfs/dbraw/zinc/23/34/57/580233457.db2.gz DJDBRLPXCUMBIR-UHFFFAOYSA-N 2 2 331.460 1.703 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc3[nH+]ccn32)C[C@H](C)O1 ZINC000770426249 580260062 /nfs/dbraw/zinc/26/00/62/580260062.db2.gz NJYKZXGACOYEHB-GASCZTMLSA-N 2 2 330.432 1.954 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)c2cccc3[nH+]ccn32)C[C@H](C)O1 ZINC000770426249 580260063 /nfs/dbraw/zinc/26/00/63/580260063.db2.gz NJYKZXGACOYEHB-GASCZTMLSA-N 2 2 330.432 1.954 20 0 EDADLP CC(C)(C)[C@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000773300511 580332957 /nfs/dbraw/zinc/33/29/57/580332957.db2.gz ANQRBZQWFHLSPX-CXAGYDPISA-N 2 2 333.436 1.834 20 0 EDADLP O=CN1CCC([NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000774293794 580358910 /nfs/dbraw/zinc/35/89/10/580358910.db2.gz QMBPOQGGZRGVON-IBGZPJMESA-N 2 2 331.460 1.224 20 0 EDADLP O=CN1CCC([NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000774293794 580358911 /nfs/dbraw/zinc/35/89/11/580358911.db2.gz QMBPOQGGZRGVON-IBGZPJMESA-N 2 2 331.460 1.224 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000775973381 580405463 /nfs/dbraw/zinc/40/54/63/580405463.db2.gz BSQQTUDTNVIQGB-LSDHHAIUSA-N 2 2 338.452 1.887 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000775973381 580405464 /nfs/dbraw/zinc/40/54/64/580405464.db2.gz BSQQTUDTNVIQGB-LSDHHAIUSA-N 2 2 338.452 1.887 20 0 EDADLP CN(C(=O)/C=C\c1cncc(O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779664631 580493922 /nfs/dbraw/zinc/49/39/22/580493922.db2.gz CMSJTDAVMSHIMD-LIMHQNJXSA-N 2 2 344.459 1.427 20 0 EDADLP CN(C(=O)/C=C\c1cncc(O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779664631 580493923 /nfs/dbraw/zinc/49/39/23/580493923.db2.gz CMSJTDAVMSHIMD-LIMHQNJXSA-N 2 2 344.459 1.427 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000791260286 580787761 /nfs/dbraw/zinc/78/77/61/580787761.db2.gz UEBVIVVRUWNOOH-CABCVRRESA-N 2 2 329.379 1.526 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc(Cl)n3C)cn2)CC1 ZINC000799334319 581025710 /nfs/dbraw/zinc/02/57/10/581025710.db2.gz WGUDSORKFUWXNS-UHFFFAOYSA-N 2 2 348.882 1.900 20 0 EDADLP C[C@@H](C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C[C@H](C)O ZINC000893043381 590632349 /nfs/dbraw/zinc/63/23/49/590632349.db2.gz XAWHTTREBXWSME-CABCVRRESA-N 2 2 343.512 1.972 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c12 ZINC000893047308 590634938 /nfs/dbraw/zinc/63/49/38/590634938.db2.gz LKHPDAOYACHLMW-GDBMZVCRSA-N 2 2 342.491 1.983 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000866850780 590635069 /nfs/dbraw/zinc/63/50/69/590635069.db2.gz ZOESTVXBZJNLFZ-JOHXTKAHSA-N 2 2 333.476 1.350 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000866850780 590635078 /nfs/dbraw/zinc/63/50/78/590635078.db2.gz ZOESTVXBZJNLFZ-JOHXTKAHSA-N 2 2 333.476 1.350 20 0 EDADLP CN(CC[N@H+](C)C1CC1)c1cc[nH+]c(N(C)CC[NH+](C)C2CC2)n1 ZINC000893228351 590721839 /nfs/dbraw/zinc/72/18/39/590721839.db2.gz IDDZNYOFBUZAFS-UHFFFAOYSA-N 3 2 332.496 1.537 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)c1cc[nH+]c(N(C)CC[NH+](C)C2CC2)n1 ZINC000893228351 590721841 /nfs/dbraw/zinc/72/18/41/590721841.db2.gz IDDZNYOFBUZAFS-UHFFFAOYSA-N 3 2 332.496 1.537 20 0 EDADLP CN(CC[NH+](C)C1CC1)c1cc[nH+]c(N(C)CC[N@H+](C)C2CC2)n1 ZINC000893228351 590721844 /nfs/dbraw/zinc/72/18/44/590721844.db2.gz IDDZNYOFBUZAFS-UHFFFAOYSA-N 3 2 332.496 1.537 20 0 EDADLP CN(CC[NH+](C)C1CC1)c1cc[nH+]c(N(C)CC[N@@H+](C)C2CC2)n1 ZINC000893228351 590721845 /nfs/dbraw/zinc/72/18/45/590721845.db2.gz IDDZNYOFBUZAFS-UHFFFAOYSA-N 3 2 332.496 1.537 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000892006116 590739524 /nfs/dbraw/zinc/73/95/24/590739524.db2.gz WPKLOJQVCDTEAB-ZWKOTPCHSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000892006116 590739527 /nfs/dbraw/zinc/73/95/27/590739527.db2.gz WPKLOJQVCDTEAB-ZWKOTPCHSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC(C)(C)[NH3+])C2)c1 ZINC000892033108 590762057 /nfs/dbraw/zinc/76/20/57/590762057.db2.gz CKAJYLUVUARCIX-INIZCTEOSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC(C)(C)[NH3+])C2)c1 ZINC000892033108 590762062 /nfs/dbraw/zinc/76/20/62/590762062.db2.gz CKAJYLUVUARCIX-INIZCTEOSA-N 2 2 334.464 1.232 20 0 EDADLP COCC1(CNC(=O)N2CCN(C)c3[nH+]cccc3C2)CC[NH2+]CC1 ZINC000892111938 590804375 /nfs/dbraw/zinc/80/43/75/590804375.db2.gz GNNRXSRODMKWBE-UHFFFAOYSA-N 2 2 347.463 1.059 20 0 EDADLP CCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000893486215 590903929 /nfs/dbraw/zinc/90/39/29/590903929.db2.gz BUHUFVODZUOWMH-GOSISDBHSA-N 2 2 329.448 1.545 20 0 EDADLP CCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000893486215 590903935 /nfs/dbraw/zinc/90/39/35/590903935.db2.gz BUHUFVODZUOWMH-GOSISDBHSA-N 2 2 329.448 1.545 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891333816 591048947 /nfs/dbraw/zinc/04/89/47/591048947.db2.gz WCBXQAUXHQFQEL-CABCVRRESA-N 2 2 326.404 1.303 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2C[C@H]([NH3+])C[C@H]2C)[NH+]2CCOCC2)cc1 ZINC000891393909 591066513 /nfs/dbraw/zinc/06/65/13/591066513.db2.gz CLWGXRMOKDROLB-NXHRZFHOSA-N 2 2 346.475 1.499 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)c1 ZINC000892565364 591075449 /nfs/dbraw/zinc/07/54/49/591075449.db2.gz JKUPZMVAFFENDR-BZSNNMDCSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)c1 ZINC000892565364 591075452 /nfs/dbraw/zinc/07/54/52/591075452.db2.gz JKUPZMVAFFENDR-BZSNNMDCSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000892577603 591078486 /nfs/dbraw/zinc/07/84/86/591078486.db2.gz VHUFKBKAAZXJLQ-UHFFFAOYSA-N 2 2 331.489 1.884 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C2)cc1 ZINC000892611506 591095917 /nfs/dbraw/zinc/09/59/17/591095917.db2.gz NQFUVMLHYLHFDO-WBVHZDCISA-N 2 2 334.464 1.184 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C2)cc1 ZINC000892611506 591095921 /nfs/dbraw/zinc/09/59/21/591095921.db2.gz NQFUVMLHYLHFDO-WBVHZDCISA-N 2 2 334.464 1.184 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000892616195 591097508 /nfs/dbraw/zinc/09/75/08/591097508.db2.gz UJFSWBMOYRMXLF-IEZWGBDMSA-N 2 2 328.460 1.944 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000892616195 591097510 /nfs/dbraw/zinc/09/75/10/591097510.db2.gz UJFSWBMOYRMXLF-IEZWGBDMSA-N 2 2 328.460 1.944 20 0 EDADLP COCC[NH+](CCOC)C1CCN(c2cccc([C@@H](C)O)[nH+]2)CC1 ZINC000893837280 591109408 /nfs/dbraw/zinc/10/94/08/591109408.db2.gz LFXCCDNQCKPCHG-OAHLLOKOSA-N 2 2 337.464 1.699 20 0 EDADLP COCC[C@H](C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892784109 591175739 /nfs/dbraw/zinc/17/57/39/591175739.db2.gz GABFQQVCMXDRIB-AWEZNQCLSA-N 2 2 329.485 1.990 20 0 EDADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CS1 ZINC000895686435 591248808 /nfs/dbraw/zinc/24/88/08/591248808.db2.gz ROYMRQSLRUSYJT-SQNIBIBYSA-N 2 2 341.565 1.903 20 0 EDADLP ClC1(Cl)C[C@H]1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895684482 591252596 /nfs/dbraw/zinc/25/25/96/591252596.db2.gz CVLNHCDSXIXEHS-UONOGXRCSA-N 2 2 336.307 1.566 20 0 EDADLP CCO/C=C/[C@](O)(C[NH2+]Cc1c[nH+]c(N(C)C)n1C)C(F)(F)F ZINC000895714226 591259164 /nfs/dbraw/zinc/25/91/64/591259164.db2.gz SBCGBADGLUYFOE-YBJDMEARSA-N 2 2 336.358 1.419 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000895740636 591262383 /nfs/dbraw/zinc/26/23/83/591262383.db2.gz XUPVZRNSLUBFTK-QAPCUYQASA-N 2 2 349.475 1.571 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000895848957 591287117 /nfs/dbraw/zinc/28/71/17/591287117.db2.gz RUDPXBPKYDJFMW-RHSMWYFYSA-N 2 2 341.521 1.183 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000895848957 591287118 /nfs/dbraw/zinc/28/71/18/591287118.db2.gz RUDPXBPKYDJFMW-RHSMWYFYSA-N 2 2 341.521 1.183 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cccc2[nH]c(=O)oc21 ZINC000894454545 591315015 /nfs/dbraw/zinc/31/50/15/591315015.db2.gz WLXAUOAHYZJBPN-UHFFFAOYSA-N 2 2 332.448 1.991 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000896029425 591327009 /nfs/dbraw/zinc/32/70/09/591327009.db2.gz BPSBZJBUWMYXIZ-MRXNPFEDSA-N 2 2 336.480 1.432 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1(F)F ZINC000894676138 591384775 /nfs/dbraw/zinc/38/47/75/591384775.db2.gz OBQWOKNVXZNNMC-MCIONIFRSA-N 2 2 332.391 1.085 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1(F)F ZINC000894676138 591384780 /nfs/dbraw/zinc/38/47/80/591384780.db2.gz OBQWOKNVXZNNMC-MCIONIFRSA-N 2 2 332.391 1.085 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]CC2=CCOCC2)CC1 ZINC000894678134 591385639 /nfs/dbraw/zinc/38/56/39/591385639.db2.gz CAXRAQZCOLKIMU-UHFFFAOYSA-N 2 2 339.480 1.912 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000898502623 591388535 /nfs/dbraw/zinc/38/85/35/591388535.db2.gz OUWWBVIGMXOBKW-HZPDHXFCSA-N 2 2 343.512 1.754 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](CCF)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000898502623 591388540 /nfs/dbraw/zinc/38/85/40/591388540.db2.gz OUWWBVIGMXOBKW-HZPDHXFCSA-N 2 2 343.512 1.754 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000896325396 591418817 /nfs/dbraw/zinc/41/88/17/591418817.db2.gz PPTHVAQYPXIAJN-OAHLLOKOSA-N 3 2 333.480 1.211 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000896325396 591418821 /nfs/dbraw/zinc/41/88/21/591418821.db2.gz PPTHVAQYPXIAJN-OAHLLOKOSA-N 3 2 333.480 1.211 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897454279 591460672 /nfs/dbraw/zinc/46/06/72/591460672.db2.gz BYSAYIVVFFUVSO-OAHLLOKOSA-N 2 2 331.464 1.563 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897454279 591460674 /nfs/dbraw/zinc/46/06/74/591460674.db2.gz BYSAYIVVFFUVSO-OAHLLOKOSA-N 2 2 331.464 1.563 20 0 EDADLP C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896530094 591485268 /nfs/dbraw/zinc/48/52/68/591485268.db2.gz HWWYHKHAKVXYPV-QAPCUYQASA-N 2 2 341.459 1.165 20 0 EDADLP C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896530094 591485272 /nfs/dbraw/zinc/48/52/72/591485272.db2.gz HWWYHKHAKVXYPV-QAPCUYQASA-N 2 2 341.459 1.165 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000897489575 591494343 /nfs/dbraw/zinc/49/43/43/591494343.db2.gz HXQDPWXUZZUKAQ-INIZCTEOSA-N 2 2 349.479 1.112 20 0 EDADLP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896539365 591501900 /nfs/dbraw/zinc/50/19/00/591501900.db2.gz NGYOBAHJJIUYSF-MAUKXSAKSA-N 2 2 332.492 1.155 20 0 EDADLP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896539365 591501903 /nfs/dbraw/zinc/50/19/03/591501903.db2.gz NGYOBAHJJIUYSF-MAUKXSAKSA-N 2 2 332.492 1.155 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000897513428 591514184 /nfs/dbraw/zinc/51/41/84/591514184.db2.gz BOFLKELKKFTDIX-KBPBESRZSA-N 2 2 337.468 1.263 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000897513428 591514185 /nfs/dbraw/zinc/51/41/85/591514185.db2.gz BOFLKELKKFTDIX-KBPBESRZSA-N 2 2 337.468 1.263 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000897565190 591556873 /nfs/dbraw/zinc/55/68/73/591556873.db2.gz XCYFOFRCDKIZCO-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000897565190 591556876 /nfs/dbraw/zinc/55/68/76/591556876.db2.gz XCYFOFRCDKIZCO-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897565190 591556878 /nfs/dbraw/zinc/55/68/78/591556878.db2.gz XCYFOFRCDKIZCO-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897565190 591556883 /nfs/dbraw/zinc/55/68/83/591556883.db2.gz XCYFOFRCDKIZCO-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[N@H+](CCC(N)=O)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000896707268 591581695 /nfs/dbraw/zinc/58/16/95/591581695.db2.gz QTWUGZYYRWKSFI-UHFFFAOYSA-N 2 2 335.448 1.095 20 0 EDADLP CC[N@@H+](CCC(N)=O)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000896707268 591581698 /nfs/dbraw/zinc/58/16/98/591581698.db2.gz QTWUGZYYRWKSFI-UHFFFAOYSA-N 2 2 335.448 1.095 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000898961279 591618396 /nfs/dbraw/zinc/61/83/96/591618396.db2.gz ZIILRCIBHHHHND-UONOGXRCSA-N 2 2 345.447 1.551 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000898961279 591618399 /nfs/dbraw/zinc/61/83/99/591618399.db2.gz ZIILRCIBHHHHND-UONOGXRCSA-N 2 2 345.447 1.551 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000898993370 591633059 /nfs/dbraw/zinc/63/30/59/591633059.db2.gz HEULVKPMVUTVNM-YESZJQIVSA-N 2 2 340.512 1.467 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1N=NC(=O)N1C ZINC000895177017 591642240 /nfs/dbraw/zinc/64/22/40/591642240.db2.gz PWRJMFDNPTVISG-AWEZNQCLSA-N 2 2 329.448 1.878 20 0 EDADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897755693 591645162 /nfs/dbraw/zinc/64/51/62/591645162.db2.gz QRBJVZJXQBPOPQ-BRWVUGGUSA-N 2 2 344.459 1.642 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)ccc21 ZINC000897876647 591703544 /nfs/dbraw/zinc/70/35/44/591703544.db2.gz PZESDDJOYNLRNC-MRXNPFEDSA-N 2 2 340.427 1.960 20 0 EDADLP [NH3+]CC1(c2ccccc2)CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000899245128 591743450 /nfs/dbraw/zinc/74/34/50/591743450.db2.gz MNKVESITTBCCKQ-UHFFFAOYSA-N 2 2 346.475 1.021 20 0 EDADLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000899255314 591747094 /nfs/dbraw/zinc/74/70/94/591747094.db2.gz RWWMHRNIJZMRHG-MRAWALMUSA-N 2 2 347.846 1.855 20 0 EDADLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000899255314 591747096 /nfs/dbraw/zinc/74/70/96/591747096.db2.gz RWWMHRNIJZMRHG-MRAWALMUSA-N 2 2 347.846 1.855 20 0 EDADLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000899255314 591747097 /nfs/dbraw/zinc/74/70/97/591747097.db2.gz RWWMHRNIJZMRHG-MRAWALMUSA-N 2 2 347.846 1.855 20 0 EDADLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000899255314 591747099 /nfs/dbraw/zinc/74/70/99/591747099.db2.gz RWWMHRNIJZMRHG-MRAWALMUSA-N 2 2 347.846 1.855 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000895482505 591778015 /nfs/dbraw/zinc/77/80/15/591778015.db2.gz IHJLVUDEIMBGHV-LJQANCHMSA-N 2 2 343.471 1.360 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc(OC)c1O ZINC000897229852 591779836 /nfs/dbraw/zinc/77/98/36/591779836.db2.gz XOMBGNWVEWGWSO-OAHLLOKOSA-N 2 2 336.432 1.752 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc(OC)c1O ZINC000897229852 591779838 /nfs/dbraw/zinc/77/98/38/591779838.db2.gz XOMBGNWVEWGWSO-OAHLLOKOSA-N 2 2 336.432 1.752 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000899988008 591856507 /nfs/dbraw/zinc/85/65/07/591856507.db2.gz XHVGNNUPYJJBLF-UHFFFAOYSA-N 2 2 328.416 1.614 20 0 EDADLP C/C(=C/C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C[NH+]1CCOCC1 ZINC000900018381 591869138 /nfs/dbraw/zinc/86/91/38/591869138.db2.gz FYXFOJTZGGUMJK-ZUTYSQTGSA-N 2 2 331.460 1.684 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000900038902 591877678 /nfs/dbraw/zinc/87/76/78/591877678.db2.gz QKVJTTRFPJUDKX-UHFFFAOYSA-N 2 2 348.491 1.340 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900076005 591888854 /nfs/dbraw/zinc/88/88/54/591888854.db2.gz FOTRGUGRYVUIRV-HKUYNNGSSA-N 2 2 349.450 1.315 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900076005 591888857 /nfs/dbraw/zinc/88/88/57/591888857.db2.gz FOTRGUGRYVUIRV-HKUYNNGSSA-N 2 2 349.450 1.315 20 0 EDADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000900076005 591888860 /nfs/dbraw/zinc/88/88/60/591888860.db2.gz FOTRGUGRYVUIRV-HKUYNNGSSA-N 2 2 349.450 1.315 20 0 EDADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000900076005 591888863 /nfs/dbraw/zinc/88/88/63/591888863.db2.gz FOTRGUGRYVUIRV-HKUYNNGSSA-N 2 2 349.450 1.315 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186699 591935231 /nfs/dbraw/zinc/93/52/31/591935231.db2.gz WHSUWDIHIRARKX-VRCAPQLRSA-N 2 2 343.471 1.557 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186699 591935235 /nfs/dbraw/zinc/93/52/35/591935235.db2.gz WHSUWDIHIRARKX-VRCAPQLRSA-N 2 2 343.471 1.557 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186699 591935237 /nfs/dbraw/zinc/93/52/37/591935237.db2.gz WHSUWDIHIRARKX-VRCAPQLRSA-N 2 2 343.471 1.557 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186699 591935240 /nfs/dbraw/zinc/93/52/40/591935240.db2.gz WHSUWDIHIRARKX-VRCAPQLRSA-N 2 2 343.471 1.557 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900289470 591973800 /nfs/dbraw/zinc/97/38/00/591973800.db2.gz RHLKJOLSZGPHRK-QGZVFWFLSA-N 2 2 345.443 1.178 20 0 EDADLP COc1cc([C@H](C)[NH2+]CC2([NH3+])CC2)ccc1S(=O)(=O)C(F)F ZINC000902415140 591996884 /nfs/dbraw/zinc/99/68/84/591996884.db2.gz BPAUHNXJGUCOLG-VIFPVBQESA-N 2 2 334.388 1.833 20 0 EDADLP O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000902456896 591999503 /nfs/dbraw/zinc/99/95/03/591999503.db2.gz QQVZOUJFGKNODM-LLVKDONJSA-N 2 2 325.210 1.049 20 0 EDADLP [NH3+]CC1([C@@H]2CCCCN2c2cc(N3CCC[C@H]3CO)nc[nH+]2)CCC1 ZINC000900421588 592014330 /nfs/dbraw/zinc/01/43/30/592014330.db2.gz DTNJQUWZSSXJSC-HOTGVXAUSA-N 2 2 345.491 1.926 20 0 EDADLP [NH3+]CC1([C@@H]2CCCCN2c2cc(N3CCC[C@H]3CO)[nH+]cn2)CCC1 ZINC000900421588 592014331 /nfs/dbraw/zinc/01/43/31/592014331.db2.gz DTNJQUWZSSXJSC-HOTGVXAUSA-N 2 2 345.491 1.926 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000900497508 592034823 /nfs/dbraw/zinc/03/48/23/592034823.db2.gz OWGSYXMFPAJLRR-HNNXBMFYSA-N 2 2 347.463 1.104 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000900497508 592034825 /nfs/dbraw/zinc/03/48/25/592034825.db2.gz OWGSYXMFPAJLRR-HNNXBMFYSA-N 2 2 347.463 1.104 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000900618481 592072584 /nfs/dbraw/zinc/07/25/84/592072584.db2.gz XZYBNKVVNHNZMR-LPHOPBHVSA-N 2 2 346.475 1.533 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000900618481 592072586 /nfs/dbraw/zinc/07/25/86/592072586.db2.gz XZYBNKVVNHNZMR-LPHOPBHVSA-N 2 2 346.475 1.533 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000902939924 592088117 /nfs/dbraw/zinc/08/81/17/592088117.db2.gz KXPRSOAMCJRZRV-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000903208591 592139008 /nfs/dbraw/zinc/13/90/08/592139008.db2.gz RLWRHNZRTHISCI-OAHLLOKOSA-N 2 2 335.473 1.143 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)C1 ZINC000903208591 592139010 /nfs/dbraw/zinc/13/90/10/592139010.db2.gz RLWRHNZRTHISCI-OAHLLOKOSA-N 2 2 335.473 1.143 20 0 EDADLP C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883305 592156176 /nfs/dbraw/zinc/15/61/76/592156176.db2.gz QQTHFDVUTAJSJK-DNVCBOLYSA-N 2 2 342.443 1.896 20 0 EDADLP C[C@@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883305 592156179 /nfs/dbraw/zinc/15/61/79/592156179.db2.gz QQTHFDVUTAJSJK-DNVCBOLYSA-N 2 2 342.443 1.896 20 0 EDADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903422036 592170783 /nfs/dbraw/zinc/17/07/83/592170783.db2.gz ULMABOALQDTNQO-CQSZACIVSA-N 2 2 331.416 1.112 20 0 EDADLP [NH3+]C[C@H]1CCCC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903422036 592170785 /nfs/dbraw/zinc/17/07/85/592170785.db2.gz ULMABOALQDTNQO-CQSZACIVSA-N 2 2 331.416 1.112 20 0 EDADLP CN(CCCNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470174 592175303 /nfs/dbraw/zinc/17/53/03/592175303.db2.gz HGICUCPTRHBTSI-KRWDZBQOSA-N 2 2 330.476 1.503 20 0 EDADLP O=C(CN[C@H]1CC[NH2+]C12CCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000903471219 592175872 /nfs/dbraw/zinc/17/58/72/592175872.db2.gz RZTGENVZXMVFLE-INIZCTEOSA-N 2 2 348.516 1.267 20 0 EDADLP C[C@H]([NH2+][C@H]1CCc2[nH+]cc(Br)n2C1)c1cnnn1C ZINC000903480268 592176460 /nfs/dbraw/zinc/17/64/60/592176460.db2.gz OKSJFENKCRFDDR-IUCAKERBSA-N 2 2 325.214 1.440 20 0 EDADLP COC1(OC)CC[C@H]1[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000903481256 592177030 /nfs/dbraw/zinc/17/70/30/592177030.db2.gz YBAZFSWBVSPQTF-VHSXEESVSA-N 2 2 330.226 1.702 20 0 EDADLP CN(CCCNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903483179 592177179 /nfs/dbraw/zinc/17/71/79/592177179.db2.gz FPBSTRGCUFSVCH-SFHVURJKSA-N 2 2 344.503 1.893 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903484031 592177622 /nfs/dbraw/zinc/17/76/22/592177622.db2.gz OEKBYACQLCPDDH-QGZVFWFLSA-N 2 2 349.500 1.892 20 0 EDADLP COc1ccc(CCNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000903466582 592178698 /nfs/dbraw/zinc/17/86/98/592178698.db2.gz WNVLYAHCMXYSCO-QGZVFWFLSA-N 2 2 347.459 1.237 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903486829 592182238 /nfs/dbraw/zinc/18/22/38/592182238.db2.gz XWAAXXYDLPYZRR-KRWDZBQOSA-N 2 2 331.460 1.918 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)c2c[nH]c3cccc(F)c32)CC1 ZINC000903519868 592195212 /nfs/dbraw/zinc/19/52/12/592195212.db2.gz PFZAQSZMHCXEDJ-UHFFFAOYSA-N 2 2 340.424 1.008 20 0 EDADLP FC(F)(F)c1ccc(OC2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)nc1 ZINC000903565047 592212215 /nfs/dbraw/zinc/21/22/15/592212215.db2.gz DNUDDJHWNJLBQG-AWEZNQCLSA-N 2 2 345.365 1.932 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc(C)c1F ZINC000903566018 592212820 /nfs/dbraw/zinc/21/28/20/592212820.db2.gz HHAYBYZMYHHBNI-UHFFFAOYSA-N 2 2 329.441 1.144 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000901116481 592238430 /nfs/dbraw/zinc/23/84/30/592238430.db2.gz DVCSXFHRRZJILW-HNNXBMFYSA-N 2 2 336.436 1.007 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000901116481 592238433 /nfs/dbraw/zinc/23/84/33/592238433.db2.gz DVCSXFHRRZJILW-HNNXBMFYSA-N 2 2 336.436 1.007 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000908012997 592263573 /nfs/dbraw/zinc/26/35/73/592263573.db2.gz QRPPGNHQRNPPEP-UHFFFAOYSA-N 2 2 327.432 1.855 20 0 EDADLP C/C(=C\C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)C[NH+]1CCOCC1 ZINC000901152321 592264223 /nfs/dbraw/zinc/26/42/23/592264223.db2.gz OQKOTLKFBRRPSH-ZKTNYTPDSA-N 2 2 337.508 1.749 20 0 EDADLP C/C(=C\C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)C[NH+]1CCOCC1 ZINC000901152321 592264224 /nfs/dbraw/zinc/26/42/24/592264224.db2.gz OQKOTLKFBRRPSH-ZKTNYTPDSA-N 2 2 337.508 1.749 20 0 EDADLP O=C(CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1)Nc1ccccc1 ZINC000903733583 592297145 /nfs/dbraw/zinc/29/71/45/592297145.db2.gz NZJFZDDNRSWPFC-QGZVFWFLSA-N 2 2 330.476 1.632 20 0 EDADLP [NH3+][C@]1(c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)C[C@@H]1c1ccccc1 ZINC000904640003 592301941 /nfs/dbraw/zinc/30/19/41/592301941.db2.gz XIWIBQPNIPQMJW-JTOWHCCKSA-N 2 2 326.400 1.947 20 0 EDADLP [NH3+][C@]1(c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)C[C@@H]1c1ccccc1 ZINC000904640003 592301945 /nfs/dbraw/zinc/30/19/45/592301945.db2.gz XIWIBQPNIPQMJW-JTOWHCCKSA-N 2 2 326.400 1.947 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756646 592313358 /nfs/dbraw/zinc/31/33/58/592313358.db2.gz UWPPBARORREWJG-HOTGVXAUSA-N 2 2 334.464 1.559 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756646 592313363 /nfs/dbraw/zinc/31/33/63/592313363.db2.gz UWPPBARORREWJG-HOTGVXAUSA-N 2 2 334.464 1.559 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCOC[C@H]1C[C@@H]1CNc2ccccc21 ZINC000903789076 592323399 /nfs/dbraw/zinc/32/33/99/592323399.db2.gz UFSNVEOQKRDDCG-KZNAEPCWSA-N 2 2 345.487 1.743 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCOC[C@H]1C[C@@H]1CNc2ccccc21 ZINC000903789076 592323404 /nfs/dbraw/zinc/32/34/04/592323404.db2.gz UFSNVEOQKRDDCG-KZNAEPCWSA-N 2 2 345.487 1.743 20 0 EDADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816209 592323871 /nfs/dbraw/zinc/32/38/71/592323871.db2.gz VGFAKZUIVLAIJF-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816209 592323877 /nfs/dbraw/zinc/32/38/77/592323877.db2.gz VGFAKZUIVLAIJF-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856820 592347987 /nfs/dbraw/zinc/34/79/87/592347987.db2.gz RWFXSVFENHZDFB-DNVCBOLYSA-N 2 2 349.450 1.866 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856820 592347989 /nfs/dbraw/zinc/34/79/89/592347989.db2.gz RWFXSVFENHZDFB-DNVCBOLYSA-N 2 2 349.450 1.866 20 0 EDADLP COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869607 592353193 /nfs/dbraw/zinc/35/31/93/592353193.db2.gz ITASFAUDISBNCA-KSSFIOAISA-N 2 2 336.432 1.271 20 0 EDADLP COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869607 592353195 /nfs/dbraw/zinc/35/31/95/592353195.db2.gz ITASFAUDISBNCA-KSSFIOAISA-N 2 2 336.432 1.271 20 0 EDADLP Oc1ccc(N2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000903872070 592354133 /nfs/dbraw/zinc/35/41/33/592354133.db2.gz CIDZPKPQBYQVLP-INIZCTEOSA-N 2 2 342.447 1.230 20 0 EDADLP Cc1cccc(N2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903878846 592359736 /nfs/dbraw/zinc/35/97/36/592359736.db2.gz LJIOUIBSXHUGSD-SFHVURJKSA-N 2 2 340.475 1.833 20 0 EDADLP Cc1csc(N2CC[NH+](C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)n1 ZINC000903880251 592361161 /nfs/dbraw/zinc/36/11/61/592361161.db2.gz OYAFMMRROLWBMN-HNNXBMFYSA-N 2 2 348.520 1.433 20 0 EDADLP CCC(CC)C(=O)N1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903883910 592362553 /nfs/dbraw/zinc/36/25/53/592362553.db2.gz LUDDZHJRDBIONU-INIZCTEOSA-N 2 2 349.523 1.426 20 0 EDADLP O[C@@H]1C[C@@H](c2ccc(F)cc2)[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903913333 592375879 /nfs/dbraw/zinc/37/58/79/592375879.db2.gz ONGATQJZVIEVKI-JQHSSLGASA-N 2 2 345.422 1.650 20 0 EDADLP O[C@@H]1C[C@@H](c2ccc(F)cc2)[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903913333 592375884 /nfs/dbraw/zinc/37/58/84/592375884.db2.gz ONGATQJZVIEVKI-JQHSSLGASA-N 2 2 345.422 1.650 20 0 EDADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)ccc1F ZINC000903925977 592379971 /nfs/dbraw/zinc/37/99/71/592379971.db2.gz QJBCPXOUNVYMRX-INIZCTEOSA-N 3 2 346.454 1.693 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnn1C ZINC000903934187 592386452 /nfs/dbraw/zinc/38/64/52/592386452.db2.gz DCYOYJRZJPDQSP-VHDGCEQUSA-N 3 2 347.429 1.305 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnn1C ZINC000903934187 592386458 /nfs/dbraw/zinc/38/64/58/592386458.db2.gz DCYOYJRZJPDQSP-VHDGCEQUSA-N 3 2 347.429 1.305 20 0 EDADLP COCCN(C)c1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cn1 ZINC000903970079 592395684 /nfs/dbraw/zinc/39/56/84/592395684.db2.gz QCAFZZANTYRKBP-QGZVFWFLSA-N 2 2 348.491 1.413 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000901550735 592396234 /nfs/dbraw/zinc/39/62/34/592396234.db2.gz YVWMBXKAZIZHTE-CYBMUJFWSA-N 2 2 344.459 1.719 20 0 EDADLP O[C@H](C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1(O)CCC1 ZINC000905153789 592423084 /nfs/dbraw/zinc/42/30/84/592423084.db2.gz MJIXXMXAKHMGKG-MRXNPFEDSA-N 2 2 326.481 1.135 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905179978 592442374 /nfs/dbraw/zinc/44/23/74/592442374.db2.gz MTKSGXZPJQRMHS-LZQZEXGQSA-N 2 2 349.475 1.099 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904306839 592472863 /nfs/dbraw/zinc/47/28/63/592472863.db2.gz DWJPEXCNPACQFW-HZPDHXFCSA-N 2 2 326.529 1.672 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000908414351 592486969 /nfs/dbraw/zinc/48/69/69/592486969.db2.gz OPWNMUOPDFYCFT-SJKOYZFVSA-N 2 2 348.834 1.597 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000908414351 592486970 /nfs/dbraw/zinc/48/69/70/592486970.db2.gz OPWNMUOPDFYCFT-SJKOYZFVSA-N 2 2 348.834 1.597 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)c1cccn1CC[NH+]1CCOCC1 ZINC000905336216 592509478 /nfs/dbraw/zinc/50/94/78/592509478.db2.gz QFCCJZKKFVHZDU-UHFFFAOYSA-N 2 2 348.491 1.426 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905623391 592588860 /nfs/dbraw/zinc/58/88/60/592588860.db2.gz IYQUTMDGNSSODA-ROUUACIJSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905623391 592588862 /nfs/dbraw/zinc/58/88/62/592588862.db2.gz IYQUTMDGNSSODA-ROUUACIJSA-N 2 2 334.460 1.578 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)COCc1ccccc1 ZINC000905617804 592595527 /nfs/dbraw/zinc/59/55/27/592595527.db2.gz FEBOZNWJRBRERY-MOPGFXCFSA-N 2 2 334.460 1.407 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)COCc1ccccc1 ZINC000905617804 592595530 /nfs/dbraw/zinc/59/55/30/592595530.db2.gz FEBOZNWJRBRERY-MOPGFXCFSA-N 2 2 334.460 1.407 20 0 EDADLP CN(C)c1cc(NCc2ccc(CN3CC[NH2+]CC3)cc2)[nH+]cn1 ZINC000905707814 592618368 /nfs/dbraw/zinc/61/83/68/592618368.db2.gz VUHCHZJVOSSQQG-UHFFFAOYSA-N 2 2 326.448 1.560 20 0 EDADLP CN(C)c1cc(NCc2ccc(CN3CC[NH2+]CC3)cc2)nc[nH+]1 ZINC000905707814 592618370 /nfs/dbraw/zinc/61/83/70/592618370.db2.gz VUHCHZJVOSSQQG-UHFFFAOYSA-N 2 2 326.448 1.560 20 0 EDADLP CC(C)(C)c1nc(N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc[nH+]1 ZINC000905711525 592620201 /nfs/dbraw/zinc/62/02/01/592620201.db2.gz GYNGCSUPXCDDCZ-CJNGLKHVSA-N 2 2 331.464 1.833 20 0 EDADLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000907557786 592707679 /nfs/dbraw/zinc/70/76/79/592707679.db2.gz AGZXCRDULBCZMW-KLAILNCOSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccn1CC[NH+]1CCOCC1 ZINC000906199553 592757893 /nfs/dbraw/zinc/75/78/93/592757893.db2.gz OOFNWJDZSTXEHY-DLBZAZTESA-N 2 2 346.475 1.177 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccn1CC[NH+]1CCOCC1 ZINC000906199553 592757894 /nfs/dbraw/zinc/75/78/94/592757894.db2.gz OOFNWJDZSTXEHY-DLBZAZTESA-N 2 2 346.475 1.177 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000907837111 592811404 /nfs/dbraw/zinc/81/14/04/592811404.db2.gz PXCACYVCJOTHAL-GOSISDBHSA-N 2 2 346.475 1.477 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@H](Cc2ccccc2)C1 ZINC000911900459 593028523 /nfs/dbraw/zinc/02/85/23/593028523.db2.gz PAXDPGRJIOQOJL-RBUKOAKNSA-N 2 2 343.471 1.092 20 0 EDADLP CS[C@@H]1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C[C@H]1[NH+](C)C ZINC000867019718 593142413 /nfs/dbraw/zinc/14/24/13/593142413.db2.gz UIUXVQWJTPUAES-ZIAGYGMSSA-N 2 2 336.436 1.520 20 0 EDADLP Cn1cc([C@H]2N(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172368 593233659 /nfs/dbraw/zinc/23/36/59/593233659.db2.gz RRXYVMJPDFWYCV-USXIJHARSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172368 593233661 /nfs/dbraw/zinc/23/36/61/593233661.db2.gz RRXYVMJPDFWYCV-USXIJHARSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172368 593233663 /nfs/dbraw/zinc/23/36/63/593233663.db2.gz RRXYVMJPDFWYCV-USXIJHARSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172368 593233666 /nfs/dbraw/zinc/23/36/66/593233666.db2.gz RRXYVMJPDFWYCV-USXIJHARSA-N 2 2 345.491 1.703 20 0 EDADLP CCCNC(=O)CCC[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000839518833 593309554 /nfs/dbraw/zinc/30/95/54/593309554.db2.gz BHGWUXSUPVUXTC-UHFFFAOYSA-N 2 2 326.510 1.792 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000809788049 593359167 /nfs/dbraw/zinc/35/91/67/593359167.db2.gz MFHRBGAKGIONKE-UHFFFAOYSA-N 2 2 329.920 1.951 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000809788049 593359170 /nfs/dbraw/zinc/35/91/70/593359170.db2.gz MFHRBGAKGIONKE-UHFFFAOYSA-N 2 2 329.920 1.951 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C(=O)CC3(CCC3)C2=O)C1 ZINC000840018262 593380930 /nfs/dbraw/zinc/38/09/30/593380930.db2.gz MRSMZPSFSHKGSJ-OAHLLOKOSA-N 2 2 337.464 1.306 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C(=O)CC3(CCC3)C2=O)C1 ZINC000840018262 593380933 /nfs/dbraw/zinc/38/09/33/593380933.db2.gz MRSMZPSFSHKGSJ-OAHLLOKOSA-N 2 2 337.464 1.306 20 0 EDADLP CCc1nc(NC2CC[NH+](CCS(C)(=O)=O)CC2)cc(C)[nH+]1 ZINC000804443572 593415807 /nfs/dbraw/zinc/41/58/07/593415807.db2.gz GYKFVNJDLRYEMO-UHFFFAOYSA-N 2 2 326.466 1.268 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810724601 593426092 /nfs/dbraw/zinc/42/60/92/593426092.db2.gz ARACHAHQJRMRJZ-RKVPGOIHSA-N 2 2 341.471 1.521 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810724601 593426093 /nfs/dbraw/zinc/42/60/93/593426093.db2.gz ARACHAHQJRMRJZ-RKVPGOIHSA-N 2 2 341.471 1.521 20 0 EDADLP Cc1cnn([C@@H]2CC[N@@H+](CN3C[C@@H](c4c[nH+]cn4C)CC3=O)C2)c1 ZINC000811800038 593482623 /nfs/dbraw/zinc/48/26/23/593482623.db2.gz IDRUPQSCHYFGJR-LSDHHAIUSA-N 2 2 328.420 1.145 20 0 EDADLP Cc1cnn([C@@H]2CC[N@H+](CN3C[C@@H](c4c[nH+]cn4C)CC3=O)C2)c1 ZINC000811800038 593482624 /nfs/dbraw/zinc/48/26/24/593482624.db2.gz IDRUPQSCHYFGJR-LSDHHAIUSA-N 2 2 328.420 1.145 20 0 EDADLP CC[C@H](C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC)[NH+](C)C ZINC000840250615 593499722 /nfs/dbraw/zinc/49/97/22/593499722.db2.gz QQAJVRCEXTXGTA-ZBFHGGJFSA-N 2 2 330.432 1.975 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)n1C ZINC000813337585 593527742 /nfs/dbraw/zinc/52/77/42/593527742.db2.gz RCCCPDLVPNBTEF-UHFFFAOYSA-N 2 2 329.404 1.733 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH+]1CCCC1 ZINC000816813477 593551621 /nfs/dbraw/zinc/55/16/21/593551621.db2.gz QZXMZSZOBIJKRC-OAHLLOKOSA-N 2 2 328.416 1.914 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C[C@@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000817371790 593597107 /nfs/dbraw/zinc/59/71/07/593597107.db2.gz CQHXKSUBMPBUKS-PKOBYXMFSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C[C@@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000817371790 593597109 /nfs/dbraw/zinc/59/71/09/593597109.db2.gz CQHXKSUBMPBUKS-PKOBYXMFSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3C[C@@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000817371790 593597111 /nfs/dbraw/zinc/59/71/11/593597111.db2.gz CQHXKSUBMPBUKS-PKOBYXMFSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3C[C@@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000817371790 593597113 /nfs/dbraw/zinc/59/71/13/593597113.db2.gz CQHXKSUBMPBUKS-PKOBYXMFSA-N 2 2 348.535 1.694 20 0 EDADLP Cn1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Cl ZINC000815129162 593616844 /nfs/dbraw/zinc/61/68/44/593616844.db2.gz IGSGZQQKQAKHMM-HUUCEWRRSA-N 2 2 326.872 1.931 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]1 ZINC000817896589 593646723 /nfs/dbraw/zinc/64/67/23/593646723.db2.gz LLJZNGIUKCBTOI-ZLKJLUDKSA-N 2 2 326.824 1.875 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000819050111 593735643 /nfs/dbraw/zinc/73/56/43/593735643.db2.gz QRSKSQQIAOZWNI-DOMZBBRYSA-N 2 2 331.382 1.574 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000819050111 593735644 /nfs/dbraw/zinc/73/56/44/593735644.db2.gz QRSKSQQIAOZWNI-DOMZBBRYSA-N 2 2 331.382 1.574 20 0 EDADLP Cc1ccccc1[C@@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000819076920 593737432 /nfs/dbraw/zinc/73/74/32/593737432.db2.gz HCJLLJIZSVORDP-HKUYNNGSSA-N 2 2 333.476 1.025 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820093561 593790448 /nfs/dbraw/zinc/79/04/48/593790448.db2.gz ZDSMIXDAVHZBNO-RXYDEIHYSA-N 2 2 336.439 1.770 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000820093561 593790449 /nfs/dbraw/zinc/79/04/49/593790449.db2.gz ZDSMIXDAVHZBNO-RXYDEIHYSA-N 2 2 336.439 1.770 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000820361531 593813105 /nfs/dbraw/zinc/81/31/05/593813105.db2.gz RYKGTRXODXBTOS-UHFFFAOYSA-N 2 2 347.450 1.533 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000820361531 593813106 /nfs/dbraw/zinc/81/31/06/593813106.db2.gz RYKGTRXODXBTOS-UHFFFAOYSA-N 2 2 347.450 1.533 20 0 EDADLP c1sc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1-c1nn[nH]n1 ZINC000823821050 593868011 /nfs/dbraw/zinc/86/80/11/593868011.db2.gz NWKTUYARNPCVGT-CQSZACIVSA-N 2 2 348.476 1.661 20 0 EDADLP C[C@H]1C[NH+]=C(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)S1 ZINC000820803948 593893373 /nfs/dbraw/zinc/89/33/73/593893373.db2.gz KBMNKQZYJCXASE-LBPRGKRZSA-N 2 2 343.460 1.476 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000825174501 594142061 /nfs/dbraw/zinc/14/20/61/594142061.db2.gz NGBZJWNLJSRSNY-FUHWJXTLSA-N 2 2 331.460 1.436 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccc2[nH]ccc21 ZINC000827531862 594225836 /nfs/dbraw/zinc/22/58/36/594225836.db2.gz GEZJGYQRVUMMEH-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccc2[nH]ccc21 ZINC000827531862 594225837 /nfs/dbraw/zinc/22/58/37/594225837.db2.gz GEZJGYQRVUMMEH-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000826167778 594358967 /nfs/dbraw/zinc/35/89/67/594358967.db2.gz QSMIRWOYCCJACS-WFASDCNBSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000826167778 594358969 /nfs/dbraw/zinc/35/89/69/594358969.db2.gz QSMIRWOYCCJACS-WFASDCNBSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000826167778 594358972 /nfs/dbraw/zinc/35/89/72/594358972.db2.gz QSMIRWOYCCJACS-WFASDCNBSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000826167778 594358973 /nfs/dbraw/zinc/35/89/73/594358973.db2.gz QSMIRWOYCCJACS-WFASDCNBSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC000826193198 594371488 /nfs/dbraw/zinc/37/14/88/594371488.db2.gz UDISOWSMCLHZKI-UHFFFAOYSA-N 2 2 327.392 1.594 20 0 EDADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC000826193198 594371490 /nfs/dbraw/zinc/37/14/90/594371490.db2.gz UDISOWSMCLHZKI-UHFFFAOYSA-N 2 2 327.392 1.594 20 0 EDADLP Cc1cc[nH+]c(N(C)CC(C)(C)C[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000826309444 594418162 /nfs/dbraw/zinc/41/81/62/594418162.db2.gz PDBCIUABOFRMOK-UHFFFAOYSA-N 2 2 345.451 1.365 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000830548405 594419616 /nfs/dbraw/zinc/41/96/16/594419616.db2.gz CIBDNHGKFMKBQA-KSSFIOAISA-N 2 2 330.476 1.836 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000830548405 594419619 /nfs/dbraw/zinc/41/96/19/594419619.db2.gz CIBDNHGKFMKBQA-KSSFIOAISA-N 2 2 330.476 1.836 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000826363777 594445457 /nfs/dbraw/zinc/44/54/57/594445457.db2.gz BIMVPGNXRNQHSD-CYBMUJFWSA-N 2 2 327.367 1.729 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000826363777 594445458 /nfs/dbraw/zinc/44/54/58/594445458.db2.gz BIMVPGNXRNQHSD-CYBMUJFWSA-N 2 2 327.367 1.729 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc(C3OCCO3)s1)CCO2 ZINC000830653041 594447947 /nfs/dbraw/zinc/44/79/47/594447947.db2.gz SUYHNPROHBUZHC-UHFFFAOYSA-N 2 2 339.461 1.485 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc(C3OCCO3)s1)CCO2 ZINC000830653041 594447949 /nfs/dbraw/zinc/44/79/49/594447949.db2.gz SUYHNPROHBUZHC-UHFFFAOYSA-N 2 2 339.461 1.485 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826551353 594523039 /nfs/dbraw/zinc/52/30/39/594523039.db2.gz LGJPMBHPUUAKPN-SFHVURJKSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826551353 594523042 /nfs/dbraw/zinc/52/30/42/594523042.db2.gz LGJPMBHPUUAKPN-SFHVURJKSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000826596604 594535412 /nfs/dbraw/zinc/53/54/12/594535412.db2.gz DEDIVYZDEIFWEN-SFHVURJKSA-N 2 2 342.443 1.288 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000826596604 594535413 /nfs/dbraw/zinc/53/54/13/594535413.db2.gz DEDIVYZDEIFWEN-SFHVURJKSA-N 2 2 342.443 1.288 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C[C@H]([NH3+])C3CC3)CC2)cc(OC)c1 ZINC000831003810 594536273 /nfs/dbraw/zinc/53/62/73/594536273.db2.gz BLKHZISPCWDYPO-SFHVURJKSA-N 2 2 347.459 1.475 20 0 EDADLP O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@]1(F)CC[NH2+]C1 ZINC000829225913 594584197 /nfs/dbraw/zinc/58/41/97/594584197.db2.gz JNPCCZHQMLBUHB-SJCJKPOMSA-N 2 2 341.377 1.747 20 0 EDADLP O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@]1(F)CC[NH2+]C1 ZINC000829225913 594584198 /nfs/dbraw/zinc/58/41/98/594584198.db2.gz JNPCCZHQMLBUHB-SJCJKPOMSA-N 2 2 341.377 1.747 20 0 EDADLP CC1(C)[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H]2CCO[C@@H]21 ZINC000831293334 594601313 /nfs/dbraw/zinc/60/13/13/594601313.db2.gz HHXTYNTVKMMLLZ-JQHSSLGASA-N 2 2 347.459 1.327 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000831486409 594641056 /nfs/dbraw/zinc/64/10/56/594641056.db2.gz ROOFSTFDHCHSGV-OFQRWUPVSA-N 2 2 327.350 1.528 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000831486409 594641058 /nfs/dbraw/zinc/64/10/58/594641058.db2.gz ROOFSTFDHCHSGV-OFQRWUPVSA-N 2 2 327.350 1.528 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[C@H]([NH3+])C2CC2)[NH+]2CCOCC2)cc1 ZINC000827440855 594672342 /nfs/dbraw/zinc/67/23/42/594672342.db2.gz NDCGYNOLBCLNSB-ROUUACIJSA-N 2 2 331.460 1.612 20 0 EDADLP CCO[C@H](CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C[NH+](C)C ZINC000831702036 594694071 /nfs/dbraw/zinc/69/40/71/594694071.db2.gz IVPGCDVYWVUQNO-MSOLQXFVSA-N 2 2 349.475 1.352 20 0 EDADLP CCO[C@H](CNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)C[NH+](C)C ZINC000831702036 594694072 /nfs/dbraw/zinc/69/40/72/594694072.db2.gz IVPGCDVYWVUQNO-MSOLQXFVSA-N 2 2 349.475 1.352 20 0 EDADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000831873267 594708535 /nfs/dbraw/zinc/70/85/35/594708535.db2.gz JZFKEWHCMOLYRT-MSOLQXFVSA-N 2 2 349.450 1.752 20 0 EDADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000831873267 594708536 /nfs/dbraw/zinc/70/85/36/594708536.db2.gz JZFKEWHCMOLYRT-MSOLQXFVSA-N 2 2 349.450 1.752 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2=O)n1C ZINC000840908446 594826359 /nfs/dbraw/zinc/82/63/59/594826359.db2.gz XMDUTBBNMBZUAV-QGZVFWFLSA-N 2 2 341.459 1.767 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000841205356 594868044 /nfs/dbraw/zinc/86/80/44/594868044.db2.gz MJTQJWWLOHQTDE-VIFPVBQESA-N 2 2 332.235 1.682 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)NC[C@H]([NH3+])C(C)C)c1[nH+]ccn1C ZINC000841669666 594933254 /nfs/dbraw/zinc/93/32/54/594933254.db2.gz PADYCDVIDUXQAY-GOEBONIOSA-N 2 2 345.447 1.801 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)CC2 ZINC000845651383 595038511 /nfs/dbraw/zinc/03/85/11/595038511.db2.gz GSWOZPOJZAVDBH-CYBMUJFWSA-N 2 2 340.418 1.942 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)CC2 ZINC000845651383 595038514 /nfs/dbraw/zinc/03/85/14/595038514.db2.gz GSWOZPOJZAVDBH-CYBMUJFWSA-N 2 2 340.418 1.942 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)o1 ZINC000843345371 595081332 /nfs/dbraw/zinc/08/13/32/595081332.db2.gz FBKULWKBJGIMNE-UHFFFAOYSA-N 2 2 327.450 1.246 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)o1 ZINC000843345371 595081335 /nfs/dbraw/zinc/08/13/35/595081335.db2.gz FBKULWKBJGIMNE-UHFFFAOYSA-N 2 2 327.450 1.246 20 0 EDADLP CC(C)(C)c1ccc(NC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000843384808 595095455 /nfs/dbraw/zinc/09/54/55/595095455.db2.gz AIIUJZVXWCEYSV-GOSISDBHSA-N 2 2 344.503 1.902 20 0 EDADLP [NH3+][C@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1c(F)cccc1F ZINC000843459084 595118314 /nfs/dbraw/zinc/11/83/14/595118314.db2.gz LQEMWXJUXMBVTL-HNNXBMFYSA-N 2 2 335.358 1.724 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)[C@H]1CC[NH3+] ZINC000846225758 595178909 /nfs/dbraw/zinc/17/89/09/595178909.db2.gz DLDZXESUCRDCFW-JSGCOSHPSA-N 2 2 329.466 1.479 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)[C@H]1CC[NH3+] ZINC000846225758 595178913 /nfs/dbraw/zinc/17/89/13/595178913.db2.gz DLDZXESUCRDCFW-JSGCOSHPSA-N 2 2 329.466 1.479 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccc(OCC(N)=O)cc3)cn21 ZINC000842782287 595196917 /nfs/dbraw/zinc/19/69/17/595196917.db2.gz FYMGNBHHHFZPFY-UHFFFAOYSA-N 2 2 338.411 1.839 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)CO[C@@H]3CCC[NH2+]C3)c[nH+]2)CC1 ZINC000844170106 595290460 /nfs/dbraw/zinc/29/04/60/595290460.db2.gz ZTUJKMBRJOVKPZ-QGZVFWFLSA-N 2 2 346.475 1.703 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(N2CCOC2=O)cc1 ZINC000846669380 595297173 /nfs/dbraw/zinc/29/71/73/595297173.db2.gz RXRHCKADWCTGQA-SWLSCSKDSA-N 2 2 334.420 1.099 20 0 EDADLP c1cn(Cc2cccc(-c3noc(C[C@H]4C[NH2+]CCO4)n3)c2)c[nH+]1 ZINC000843178312 595300108 /nfs/dbraw/zinc/30/01/08/595300108.db2.gz MQIZLXROKRJPQE-HNNXBMFYSA-N 2 2 325.372 1.512 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221131 595306225 /nfs/dbraw/zinc/30/62/25/595306225.db2.gz WBZXIGWPNHDRMT-SFHVURJKSA-N 2 2 348.491 1.767 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221131 595306226 /nfs/dbraw/zinc/30/62/26/595306226.db2.gz WBZXIGWPNHDRMT-SFHVURJKSA-N 2 2 348.491 1.767 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccc(C)cc2)CC1 ZINC000846777870 595315178 /nfs/dbraw/zinc/31/51/78/595315178.db2.gz PENSHUDOBJJBSE-IBGZPJMESA-N 2 2 335.492 1.446 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccc(C)cc2)CC1 ZINC000846777870 595315180 /nfs/dbraw/zinc/31/51/80/595315180.db2.gz PENSHUDOBJJBSE-IBGZPJMESA-N 2 2 335.492 1.446 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000846777870 595315183 /nfs/dbraw/zinc/31/51/83/595315183.db2.gz PENSHUDOBJJBSE-IBGZPJMESA-N 2 2 335.492 1.446 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000846777870 595315186 /nfs/dbraw/zinc/31/51/86/595315186.db2.gz PENSHUDOBJJBSE-IBGZPJMESA-N 2 2 335.492 1.446 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cnsn2)CC1 ZINC000846806175 595318613 /nfs/dbraw/zinc/31/86/13/595318613.db2.gz KGAWREIBMRYALZ-UHFFFAOYSA-N 2 2 339.509 1.454 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000846814910 595320296 /nfs/dbraw/zinc/32/02/96/595320296.db2.gz WMTXYISVXLNYNG-PMPSAXMXSA-N 2 2 342.505 1.575 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000846814910 595320299 /nfs/dbraw/zinc/32/02/99/595320299.db2.gz WMTXYISVXLNYNG-PMPSAXMXSA-N 2 2 342.505 1.575 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000846814910 595320300 /nfs/dbraw/zinc/32/03/00/595320300.db2.gz WMTXYISVXLNYNG-PMPSAXMXSA-N 2 2 342.505 1.575 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000846814910 595320304 /nfs/dbraw/zinc/32/03/04/595320304.db2.gz WMTXYISVXLNYNG-PMPSAXMXSA-N 2 2 342.505 1.575 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000846813182 595320418 /nfs/dbraw/zinc/32/04/18/595320418.db2.gz YYLAQPODQPQPQM-ICSRJNTNSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000846813182 595320420 /nfs/dbraw/zinc/32/04/20/595320420.db2.gz YYLAQPODQPQPQM-ICSRJNTNSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000846813182 595320423 /nfs/dbraw/zinc/32/04/23/595320423.db2.gz YYLAQPODQPQPQM-ICSRJNTNSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000846813182 595320426 /nfs/dbraw/zinc/32/04/26/595320426.db2.gz YYLAQPODQPQPQM-ICSRJNTNSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000846816421 595320658 /nfs/dbraw/zinc/32/06/58/595320658.db2.gz WFZXGRSSKWQCJL-JYJNAYRXSA-N 2 2 326.437 1.107 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000846816421 595320662 /nfs/dbraw/zinc/32/06/62/595320662.db2.gz WFZXGRSSKWQCJL-JYJNAYRXSA-N 2 2 326.437 1.107 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000846816421 595320664 /nfs/dbraw/zinc/32/06/64/595320664.db2.gz WFZXGRSSKWQCJL-JYJNAYRXSA-N 2 2 326.437 1.107 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000846816421 595320668 /nfs/dbraw/zinc/32/06/68/595320668.db2.gz WFZXGRSSKWQCJL-JYJNAYRXSA-N 2 2 326.437 1.107 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000846835832 595323662 /nfs/dbraw/zinc/32/36/62/595323662.db2.gz KNRSESFBWRQVBM-LJQANCHMSA-N 2 2 335.492 1.365 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000846835832 595323664 /nfs/dbraw/zinc/32/36/64/595323664.db2.gz KNRSESFBWRQVBM-LJQANCHMSA-N 2 2 335.492 1.365 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)c1ccccc1Br ZINC000846985319 595346820 /nfs/dbraw/zinc/34/68/20/595346820.db2.gz STOLVQWSOZXTLC-SWLSCSKDSA-N 2 2 345.281 1.727 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)c1ccccc1Br ZINC000846985319 595346823 /nfs/dbraw/zinc/34/68/23/595346823.db2.gz STOLVQWSOZXTLC-SWLSCSKDSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000846985319 595346824 /nfs/dbraw/zinc/34/68/24/595346824.db2.gz STOLVQWSOZXTLC-SWLSCSKDSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000846985319 595346827 /nfs/dbraw/zinc/34/68/27/595346827.db2.gz STOLVQWSOZXTLC-SWLSCSKDSA-N 2 2 345.281 1.727 20 0 EDADLP O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848550084 595404610 /nfs/dbraw/zinc/40/46/10/595404610.db2.gz BRVRMXZJUKZLTN-VDZJLULYSA-N 2 2 332.444 1.714 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCN(C4=[NH+]C[C@@H](C)S4)CC3)ccn12 ZINC000847525129 595440809 /nfs/dbraw/zinc/44/08/09/595440809.db2.gz SYGOKLLIZCUEKH-CYBMUJFWSA-N 2 2 343.456 1.892 20 0 EDADLP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1O ZINC000849386765 595517941 /nfs/dbraw/zinc/51/79/41/595517941.db2.gz LZVZGGZABLOMQZ-UHFFFAOYSA-N 2 2 341.477 1.039 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)nc1 ZINC000849422776 595524440 /nfs/dbraw/zinc/52/44/40/595524440.db2.gz FSNAPIUUWMTCAF-LBPRGKRZSA-N 2 2 348.900 1.285 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)nc1 ZINC000849422776 595524441 /nfs/dbraw/zinc/52/44/41/595524441.db2.gz FSNAPIUUWMTCAF-LBPRGKRZSA-N 2 2 348.900 1.285 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849523466 595558197 /nfs/dbraw/zinc/55/81/97/595558197.db2.gz WHKNCDPBLNXVGS-DLBZAZTESA-N 2 2 341.459 1.998 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849523466 595558199 /nfs/dbraw/zinc/55/81/99/595558199.db2.gz WHKNCDPBLNXVGS-DLBZAZTESA-N 2 2 341.459 1.998 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860133549 595592081 /nfs/dbraw/zinc/59/20/81/595592081.db2.gz HGMNSSHVVDHJJI-HKUYNNGSSA-N 2 2 336.476 1.753 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860133549 595592083 /nfs/dbraw/zinc/59/20/83/595592083.db2.gz HGMNSSHVVDHJJI-HKUYNNGSSA-N 2 2 336.476 1.753 20 0 EDADLP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)ccc1F ZINC000853115862 595669542 /nfs/dbraw/zinc/66/95/42/595669542.db2.gz NSGZBGIRLZZEHJ-RHSMWYFYSA-N 2 2 326.387 1.841 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N[C@H]1CCn3c[nH+]cc31)n2C ZINC000857983782 595676856 /nfs/dbraw/zinc/67/68/56/595676856.db2.gz VCKZUMGOSVABII-NSHDSACASA-N 2 2 325.376 1.106 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC000855414785 595704452 /nfs/dbraw/zinc/70/44/52/595704452.db2.gz MDEOTOLOPINOAH-DLBZAZTESA-N 2 2 347.459 1.291 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC000855414785 595704453 /nfs/dbraw/zinc/70/44/53/595704453.db2.gz MDEOTOLOPINOAH-DLBZAZTESA-N 2 2 347.459 1.291 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC000855414526 595704508 /nfs/dbraw/zinc/70/45/08/595704508.db2.gz GCJKUCFVTZQLNE-IEBWSBKVSA-N 2 2 349.475 1.490 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC000855414526 595704510 /nfs/dbraw/zinc/70/45/10/595704510.db2.gz GCJKUCFVTZQLNE-IEBWSBKVSA-N 2 2 349.475 1.490 20 0 EDADLP C[NH+](C)CCCCCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853486190 595765835 /nfs/dbraw/zinc/76/58/35/595765835.db2.gz AJHCWRHMRBEHLG-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(F)(F)Br ZINC000851872409 595956609 /nfs/dbraw/zinc/95/66/09/595956609.db2.gz GUPPTVMKNGRIHC-UHFFFAOYSA-N 2 2 328.245 1.932 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(F)(F)Br ZINC000851872409 595956611 /nfs/dbraw/zinc/95/66/11/595956611.db2.gz GUPPTVMKNGRIHC-UHFFFAOYSA-N 2 2 328.245 1.932 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854230764 596009189 /nfs/dbraw/zinc/00/91/89/596009189.db2.gz DKSJJZLCAPRPEK-GDBMZVCRSA-N 2 2 332.448 1.463 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000854726042 596176460 /nfs/dbraw/zinc/17/64/60/596176460.db2.gz GMLICAZOTWYFEV-IBGZPJMESA-N 2 2 345.487 1.728 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000868586743 596239010 /nfs/dbraw/zinc/23/90/10/596239010.db2.gz SMQYFBIDOMHXBX-UHFFFAOYSA-N 2 2 330.367 1.413 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000868621640 596249740 /nfs/dbraw/zinc/24/97/40/596249740.db2.gz KXNVOPIKDCOUQC-NVXWUHKLSA-N 2 2 341.459 1.987 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000868621640 596249743 /nfs/dbraw/zinc/24/97/43/596249743.db2.gz KXNVOPIKDCOUQC-NVXWUHKLSA-N 2 2 341.459 1.987 20 0 EDADLP Cc1ccc([C@@H](O)c2cn(CC[N@@H+](C)CCC[NH+](C)C)nn2)cc1 ZINC000864645580 596295556 /nfs/dbraw/zinc/29/55/56/596295556.db2.gz FTFQLGYIZSDBJK-GOSISDBHSA-N 2 2 331.464 1.552 20 0 EDADLP Cc1ccc([C@@H](O)c2cn(CC[N@H+](C)CCC[NH+](C)C)nn2)cc1 ZINC000864645580 596295561 /nfs/dbraw/zinc/29/55/61/596295561.db2.gz FTFQLGYIZSDBJK-GOSISDBHSA-N 2 2 331.464 1.552 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000866782941 596342230 /nfs/dbraw/zinc/34/22/30/596342230.db2.gz CZOPHZAWEWHZDK-INIZCTEOSA-N 2 2 348.422 1.369 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000866782941 596342232 /nfs/dbraw/zinc/34/22/32/596342232.db2.gz CZOPHZAWEWHZDK-INIZCTEOSA-N 2 2 348.422 1.369 20 0 EDADLP C[C@@H]1CC[N@H+](Cn2nc3c(cc2=O)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000121616941 596377657 /nfs/dbraw/zinc/37/76/57/596377657.db2.gz GUSRGFAOFWLQBL-PBHICJAKSA-N 2 2 327.432 1.859 20 0 EDADLP C[C@@H]1CC[N@@H+](Cn2nc3c(cc2=O)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000121616941 596377661 /nfs/dbraw/zinc/37/76/61/596377661.db2.gz GUSRGFAOFWLQBL-PBHICJAKSA-N 2 2 327.432 1.859 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000869108199 596413144 /nfs/dbraw/zinc/41/31/44/596413144.db2.gz MMSKZXBUDFRVHB-IEBWSBKVSA-N 2 2 328.460 1.910 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000869108199 596413146 /nfs/dbraw/zinc/41/31/46/596413146.db2.gz MMSKZXBUDFRVHB-IEBWSBKVSA-N 2 2 328.460 1.910 20 0 EDADLP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3c4ccccc4C[N@H+]3C)C2)C1 ZINC000869108199 596413148 /nfs/dbraw/zinc/41/31/48/596413148.db2.gz MMSKZXBUDFRVHB-IEBWSBKVSA-N 2 2 328.460 1.910 20 0 EDADLP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3c4ccccc4C[N@@H+]3C)C2)C1 ZINC000869108199 596413149 /nfs/dbraw/zinc/41/31/49/596413149.db2.gz MMSKZXBUDFRVHB-IEBWSBKVSA-N 2 2 328.460 1.910 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C2)cc1 ZINC000870980018 596427869 /nfs/dbraw/zinc/42/78/69/596427869.db2.gz WGPLOXWMPKEBJH-WSTZPKSXSA-N 2 2 343.471 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C2)cc1 ZINC000870980018 596427871 /nfs/dbraw/zinc/42/78/71/596427871.db2.gz WGPLOXWMPKEBJH-WSTZPKSXSA-N 2 2 343.471 1.312 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnc3c(cnn3C)c2)CC1 ZINC000865455550 596581225 /nfs/dbraw/zinc/58/12/25/596581225.db2.gz CPTMEJIWSLPORF-UHFFFAOYSA-N 2 2 344.463 1.001 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000865583318 596617328 /nfs/dbraw/zinc/61/73/28/596617328.db2.gz ALHPIOBGORSIJU-JKSUJKDBSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000865583318 596617329 /nfs/dbraw/zinc/61/73/29/596617329.db2.gz ALHPIOBGORSIJU-JKSUJKDBSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000865583317 596617489 /nfs/dbraw/zinc/61/74/89/596617489.db2.gz ALHPIOBGORSIJU-HZPDHXFCSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000865583317 596617492 /nfs/dbraw/zinc/61/74/92/596617492.db2.gz ALHPIOBGORSIJU-HZPDHXFCSA-N 2 2 341.496 1.822 20 0 EDADLP Nc1nc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc(C2CCCC2)[nH+]1 ZINC000865624128 596630704 /nfs/dbraw/zinc/63/07/04/596630704.db2.gz JHGOLWQMCWCYAH-AWEZNQCLSA-N 2 2 332.452 1.777 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000863652298 596644672 /nfs/dbraw/zinc/64/46/72/596644672.db2.gz VUTMNIQRDHZOFH-OAHLLOKOSA-N 3 2 338.521 1.795 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869813597 596645088 /nfs/dbraw/zinc/64/50/88/596645088.db2.gz DHLZPUYZWRABKC-QGZVFWFLSA-N 2 2 336.439 1.790 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3(C[NH3+])CCCC3)C2)cc1 ZINC000867997334 596646921 /nfs/dbraw/zinc/64/69/21/596646921.db2.gz DVQQHXLPROFUOA-SFHVURJKSA-N 2 2 345.487 1.831 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C3(C[NH3+])CCCC3)C2)cc1 ZINC000867997334 596646924 /nfs/dbraw/zinc/64/69/24/596646924.db2.gz DVQQHXLPROFUOA-SFHVURJKSA-N 2 2 345.487 1.831 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CC3([NH3+])CCC3)C2)c1 ZINC000867998042 596648477 /nfs/dbraw/zinc/64/84/77/596648477.db2.gz OIWKPADQEPBYJZ-QGZVFWFLSA-N 2 2 331.460 1.584 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CC3([NH3+])CCC3)C2)c1 ZINC000867998042 596648480 /nfs/dbraw/zinc/64/84/80/596648480.db2.gz OIWKPADQEPBYJZ-QGZVFWFLSA-N 2 2 331.460 1.584 20 0 EDADLP O=C1CNC(=O)N1Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000865773671 596678249 /nfs/dbraw/zinc/67/82/49/596678249.db2.gz GWFOJZKYOXSNFQ-UHFFFAOYSA-N 2 2 339.399 1.171 20 0 EDADLP Cc1ccn(C[C@@H](C)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000865799188 596688612 /nfs/dbraw/zinc/68/86/12/596688612.db2.gz KQAKRENAYVWMRZ-OAHLLOKOSA-N 2 2 335.496 1.312 20 0 EDADLP Cc1ccn(C[C@@H](C)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000865799188 596688615 /nfs/dbraw/zinc/68/86/15/596688615.db2.gz KQAKRENAYVWMRZ-OAHLLOKOSA-N 2 2 335.496 1.312 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C1 ZINC000865813626 596693873 /nfs/dbraw/zinc/69/38/73/596693873.db2.gz YTYKCGIDWSAJFV-GOEBONIOSA-N 2 2 339.505 1.726 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C1 ZINC000865813626 596693876 /nfs/dbraw/zinc/69/38/76/596693876.db2.gz YTYKCGIDWSAJFV-GOEBONIOSA-N 2 2 339.505 1.726 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000868128740 596695895 /nfs/dbraw/zinc/69/58/95/596695895.db2.gz QXBISWSLGVCXGJ-UHFFFAOYSA-N 2 2 325.376 1.640 20 0 EDADLP C[C@@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000868186710 596715402 /nfs/dbraw/zinc/71/54/02/596715402.db2.gz PRZAMEBSDTVPGG-UTJXIGIESA-N 2 2 332.448 1.732 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2C1 ZINC000868203798 596722172 /nfs/dbraw/zinc/72/21/72/596722172.db2.gz HYGQYKRVQKJKPX-CABCVRRESA-N 2 2 346.479 1.572 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2C1 ZINC000868203798 596722173 /nfs/dbraw/zinc/72/21/73/596722173.db2.gz HYGQYKRVQKJKPX-CABCVRRESA-N 2 2 346.479 1.572 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)Cc2ccc[nH+]c21 ZINC000868211498 596726325 /nfs/dbraw/zinc/72/63/25/596726325.db2.gz QVSNJJAZSJCALW-CVEARBPZSA-N 2 2 329.448 1.670 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)Cc2ccc[nH+]c21 ZINC000868211498 596726327 /nfs/dbraw/zinc/72/63/27/596726327.db2.gz QVSNJJAZSJCALW-CVEARBPZSA-N 2 2 329.448 1.670 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000865990089 596749170 /nfs/dbraw/zinc/74/91/70/596749170.db2.gz PMRWLHZILIKRRI-HFTRVMKXSA-N 2 2 342.443 1.955 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000865990089 596749172 /nfs/dbraw/zinc/74/91/72/596749172.db2.gz PMRWLHZILIKRRI-HFTRVMKXSA-N 2 2 342.443 1.955 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147303 596811318 /nfs/dbraw/zinc/81/13/18/596811318.db2.gz HCBCZSTWWQSBKA-VJTDZRGJSA-N 2 2 335.414 1.948 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147303 596811319 /nfs/dbraw/zinc/81/13/19/596811319.db2.gz HCBCZSTWWQSBKA-VJTDZRGJSA-N 2 2 335.414 1.948 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872152910 596814323 /nfs/dbraw/zinc/81/43/23/596814323.db2.gz XDZJBTYQLXLMPE-XAYKYTGQSA-N 2 2 330.432 1.513 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872152910 596814326 /nfs/dbraw/zinc/81/43/26/596814326.db2.gz XDZJBTYQLXLMPE-XAYKYTGQSA-N 2 2 330.432 1.513 20 0 EDADLP C[NH+](C)C[C@H](N)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000872178444 596822071 /nfs/dbraw/zinc/82/20/71/596822071.db2.gz WJYHQNVHQCZDNI-LSDHHAIUSA-N 2 2 331.420 1.205 20 0 EDADLP C[NH+](C)C[C@H](N)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000872178444 596822073 /nfs/dbraw/zinc/82/20/73/596822073.db2.gz WJYHQNVHQCZDNI-LSDHHAIUSA-N 2 2 331.420 1.205 20 0 EDADLP C[C@H](CCc1cccnc1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000866254320 596839262 /nfs/dbraw/zinc/83/92/62/596839262.db2.gz VWOUCYPROABHDT-SJLPKXTDSA-N 2 2 332.492 1.935 20 0 EDADLP C[C@H](CCc1cccnc1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000866254320 596839265 /nfs/dbraw/zinc/83/92/65/596839265.db2.gz VWOUCYPROABHDT-SJLPKXTDSA-N 2 2 332.492 1.935 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000872236199 596847736 /nfs/dbraw/zinc/84/77/36/596847736.db2.gz OOIJVNJZCOITPD-UXHICEINSA-N 2 2 347.503 1.242 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000872236199 596847739 /nfs/dbraw/zinc/84/77/39/596847739.db2.gz OOIJVNJZCOITPD-UXHICEINSA-N 2 2 347.503 1.242 20 0 EDADLP CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000866453810 596889457 /nfs/dbraw/zinc/88/94/57/596889457.db2.gz VIUHDHKPJIQLRH-QZTJIDSGSA-N 2 2 339.524 1.312 20 0 EDADLP CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000866453810 596889458 /nfs/dbraw/zinc/88/94/58/596889458.db2.gz VIUHDHKPJIQLRH-QZTJIDSGSA-N 2 2 339.524 1.312 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)N[C@@H](C)C[NH+](C)C)Cc3ccc[nH+]c3N2C1 ZINC000875583099 596905849 /nfs/dbraw/zinc/90/58/49/596905849.db2.gz KLQHHWBJZGUBSE-CWRNSKLLSA-N 2 2 347.463 1.151 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875627349 596924712 /nfs/dbraw/zinc/92/47/12/596924712.db2.gz PNBDNLTVCWQLNY-MRXNPFEDSA-N 2 2 337.427 1.855 20 0 EDADLP O=C1CC2(COC2)CN1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000872604078 596985055 /nfs/dbraw/zinc/98/50/55/596985055.db2.gz OWOGGFNZQKBCSL-OAHLLOKOSA-N 2 2 344.459 1.605 20 0 EDADLP O=C1CC2(COC2)CN1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000872604078 596985057 /nfs/dbraw/zinc/98/50/57/596985057.db2.gz OWOGGFNZQKBCSL-OAHLLOKOSA-N 2 2 344.459 1.605 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC[NH+](C)C)C2)c1 ZINC000876194283 597127720 /nfs/dbraw/zinc/12/77/20/597127720.db2.gz VWPCTADLCYBRKO-KRWDZBQOSA-N 2 2 334.464 1.057 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)nn2)cc1 ZINC000873060145 597175611 /nfs/dbraw/zinc/17/56/11/597175611.db2.gz GEDPJPRDFQDZDM-HOCLYGCPSA-N 2 2 329.448 1.907 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)nn2)cc1 ZINC000873060145 597175613 /nfs/dbraw/zinc/17/56/13/597175613.db2.gz GEDPJPRDFQDZDM-HOCLYGCPSA-N 2 2 329.448 1.907 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000874835754 597191248 /nfs/dbraw/zinc/19/12/48/597191248.db2.gz CMPPHRMLWWITJK-DLBZAZTESA-N 2 2 345.491 1.327 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)CC1 ZINC000874835754 597191250 /nfs/dbraw/zinc/19/12/50/597191250.db2.gz CMPPHRMLWWITJK-DLBZAZTESA-N 2 2 345.491 1.327 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)[NH+]1CCOCC1 ZINC000874835734 597192037 /nfs/dbraw/zinc/19/20/37/597192037.db2.gz BBGVRZNHXWOMHC-RCCFBDPRSA-N 2 2 337.508 1.819 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C)[NH+]1CCOCC1 ZINC000874835734 597192039 /nfs/dbraw/zinc/19/20/39/597192039.db2.gz BBGVRZNHXWOMHC-RCCFBDPRSA-N 2 2 337.508 1.819 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000874838663 597193039 /nfs/dbraw/zinc/19/30/39/597193039.db2.gz QSRUVSCBJXMBFS-KSZLIROESA-N 2 2 328.460 1.741 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000874838663 597193041 /nfs/dbraw/zinc/19/30/41/597193041.db2.gz QSRUVSCBJXMBFS-KSZLIROESA-N 2 2 328.460 1.741 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000874838663 597193043 /nfs/dbraw/zinc/19/30/43/597193043.db2.gz QSRUVSCBJXMBFS-KSZLIROESA-N 2 2 328.460 1.741 20 0 EDADLP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876731032 597310505 /nfs/dbraw/zinc/31/05/05/597310505.db2.gz NCDBKUKGFBJZGX-CABCVRRESA-N 2 2 342.447 1.859 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000876754821 597322740 /nfs/dbraw/zinc/32/27/40/597322740.db2.gz FRPNZUTUPDCAHZ-UKPHBRMFSA-N 2 2 335.423 1.966 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c1)[NH+]1CCOCC1 ZINC000876756344 597324533 /nfs/dbraw/zinc/32/45/33/597324533.db2.gz RRQZCEDAMCVZLT-CQDKDKBSSA-N 2 2 339.386 1.858 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000876757017 597325169 /nfs/dbraw/zinc/32/51/69/597325169.db2.gz AAWXYXOAKSHHRW-RCCFBDPRSA-N 2 2 345.487 1.420 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+]1CCOCC1 ZINC000875241182 597349102 /nfs/dbraw/zinc/34/91/02/597349102.db2.gz ADYDXHQERSDNAS-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1CCOCC1 ZINC000875241182 597349105 /nfs/dbraw/zinc/34/91/05/597349105.db2.gz ADYDXHQERSDNAS-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP C[NH+]1CCN(c2ccc(NCc3c[nH+]c(N)nc3N)cc2Cl)CC1 ZINC000876853409 597359622 /nfs/dbraw/zinc/35/96/22/597359622.db2.gz HZAUGSULKJJQGO-UHFFFAOYSA-N 2 2 347.854 1.658 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000876964919 597399657 /nfs/dbraw/zinc/39/96/57/597399657.db2.gz VOBUEAQUDLDDQH-KBHBNQIUSA-N 2 2 347.434 1.276 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000875529101 597466068 /nfs/dbraw/zinc/46/60/68/597466068.db2.gz DTLDZHHFARYBRK-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000875529101 597466070 /nfs/dbraw/zinc/46/60/70/597466070.db2.gz DTLDZHHFARYBRK-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2[NH3+])cc1 ZINC000877240055 597475498 /nfs/dbraw/zinc/47/54/98/597475498.db2.gz YZBWRABRUNJZBV-LVQVYYBASA-N 2 2 326.400 1.475 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2[NH3+])cc1 ZINC000877240055 597475502 /nfs/dbraw/zinc/47/55/02/597475502.db2.gz YZBWRABRUNJZBV-LVQVYYBASA-N 2 2 326.400 1.475 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257932 597482049 /nfs/dbraw/zinc/48/20/49/597482049.db2.gz UOPOIUKJFPZKFM-YLJYHZDGSA-N 2 2 346.519 1.669 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CSC[NH2+]3)cc2F)CC1 ZINC000877266337 597483216 /nfs/dbraw/zinc/48/32/16/597483216.db2.gz PCMRNUACBBNJJW-CQSZACIVSA-N 2 2 338.452 1.569 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@@H]1C(F)(F)F ZINC000877361640 597501470 /nfs/dbraw/zinc/50/14/70/597501470.db2.gz UDMQALPHMOMTHW-PWSUYJOCSA-N 2 2 326.322 1.472 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000877432503 597514457 /nfs/dbraw/zinc/51/44/57/597514457.db2.gz DUMQKPBSYNHWAT-OAHLLOKOSA-N 2 2 334.464 1.253 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000877432503 597514461 /nfs/dbraw/zinc/51/44/61/597514461.db2.gz DUMQKPBSYNHWAT-OAHLLOKOSA-N 2 2 334.464 1.253 20 0 EDADLP COC(=O)c1ccccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746219 597552604 /nfs/dbraw/zinc/55/26/04/597552604.db2.gz JPNJHZZQRFIZPL-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)CC3(O)CCCC3)CC2)c1 ZINC000878057375 597572786 /nfs/dbraw/zinc/57/27/86/597572786.db2.gz LVWWARZJCGCGLB-OAHLLOKOSA-N 2 2 335.448 1.268 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000883088426 597644102 /nfs/dbraw/zinc/64/41/02/597644102.db2.gz FFHBKWKLPXFNHI-KRWDZBQOSA-N 2 2 327.432 1.825 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000883088426 597644103 /nfs/dbraw/zinc/64/41/03/597644103.db2.gz FFHBKWKLPXFNHI-KRWDZBQOSA-N 2 2 327.432 1.825 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591565 597648122 /nfs/dbraw/zinc/64/81/22/597648122.db2.gz PCUAOVMYZKTVMM-KRWDZBQOSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883143804 597666374 /nfs/dbraw/zinc/66/63/74/597666374.db2.gz VWTJXSYKQQVLGI-GDBMZVCRSA-N 2 2 335.452 1.214 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCC(C)(C)CO3)C2)CC1 ZINC000878823658 597724368 /nfs/dbraw/zinc/72/43/68/597724368.db2.gz COUAPJCQQUIQDA-NVXWUHKLSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3CCC(C)(C)CO3)C2)CC1 ZINC000878823658 597724371 /nfs/dbraw/zinc/72/43/71/597724371.db2.gz COUAPJCQQUIQDA-NVXWUHKLSA-N 2 2 337.508 1.866 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883422233 597741211 /nfs/dbraw/zinc/74/12/11/597741211.db2.gz IKZMNCJYKPNHTJ-HOTGVXAUSA-N 2 2 325.403 1.652 20 0 EDADLP CCC1([NH3+])CCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000883547828 597798288 /nfs/dbraw/zinc/79/82/88/597798288.db2.gz YVQZGBFWRDCKLL-UHFFFAOYSA-N 2 2 347.463 1.962 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CCC(=O)OC)C2)CC1 ZINC000880038056 597819123 /nfs/dbraw/zinc/81/91/23/597819123.db2.gz PWUCICPGIOSUBJ-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CCC(=O)OC)C2)CC1 ZINC000880038056 597819124 /nfs/dbraw/zinc/81/91/24/597819124.db2.gz PWUCICPGIOSUBJ-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP COCC[N@@H+](Cc1nnnn1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879122224 597825578 /nfs/dbraw/zinc/82/55/78/597825578.db2.gz JQAAYTPBPZZMNS-UHFFFAOYSA-N 2 2 344.463 1.453 20 0 EDADLP COCC[N@H+](Cc1nnnn1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879122224 597825581 /nfs/dbraw/zinc/82/55/81/597825581.db2.gz JQAAYTPBPZZMNS-UHFFFAOYSA-N 2 2 344.463 1.453 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261717 597886405 /nfs/dbraw/zinc/88/64/05/597886405.db2.gz LSUOMBCGVWTUDF-KGLIPLIRSA-N 2 2 347.463 1.605 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261717 597886407 /nfs/dbraw/zinc/88/64/07/597886407.db2.gz LSUOMBCGVWTUDF-KGLIPLIRSA-N 2 2 347.463 1.605 20 0 EDADLP C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880440604 597935941 /nfs/dbraw/zinc/93/59/41/597935941.db2.gz GGEZMGPHSHCCMD-CRAIPNDOSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@@H]1CC[C@H](CO)[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880440604 597935944 /nfs/dbraw/zinc/93/59/44/597935944.db2.gz GGEZMGPHSHCCMD-CRAIPNDOSA-N 2 2 347.459 1.303 20 0 EDADLP O=C1NCC[C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]12 ZINC000880523432 597954135 /nfs/dbraw/zinc/95/41/35/597954135.db2.gz FPRBEMVIEDSMEF-RTBURBONSA-N 2 2 343.471 1.619 20 0 EDADLP O=C1NCC[C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]12 ZINC000880523432 597954136 /nfs/dbraw/zinc/95/41/36/597954136.db2.gz FPRBEMVIEDSMEF-RTBURBONSA-N 2 2 343.471 1.619 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553004 597961594 /nfs/dbraw/zinc/96/15/94/597961594.db2.gz JCZQKHSHHJUJOE-MSOLQXFVSA-N 2 2 333.476 1.410 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553004 597961595 /nfs/dbraw/zinc/96/15/95/597961595.db2.gz JCZQKHSHHJUJOE-MSOLQXFVSA-N 2 2 333.476 1.410 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553004 597961597 /nfs/dbraw/zinc/96/15/97/597961597.db2.gz JCZQKHSHHJUJOE-MSOLQXFVSA-N 2 2 333.476 1.410 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553004 597961598 /nfs/dbraw/zinc/96/15/98/597961598.db2.gz JCZQKHSHHJUJOE-MSOLQXFVSA-N 2 2 333.476 1.410 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC000880669758 597992274 /nfs/dbraw/zinc/99/22/74/597992274.db2.gz IKVUXBXBWQPMEH-KRWDZBQOSA-N 2 2 346.475 1.251 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC000880669758 597992277 /nfs/dbraw/zinc/99/22/77/597992277.db2.gz IKVUXBXBWQPMEH-KRWDZBQOSA-N 2 2 346.475 1.251 20 0 EDADLP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000884177239 598015657 /nfs/dbraw/zinc/01/56/57/598015657.db2.gz DDMJMMNYBUDIHX-MSOLQXFVSA-N 2 2 333.476 1.638 20 0 EDADLP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000884177239 598015660 /nfs/dbraw/zinc/01/56/60/598015660.db2.gz DDMJMMNYBUDIHX-MSOLQXFVSA-N 2 2 333.476 1.638 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884193425 598022270 /nfs/dbraw/zinc/02/22/70/598022270.db2.gz FWRXZSOALFEZHO-ZWNOBZJWSA-N 2 2 337.221 1.850 20 0 EDADLP [NH3+][C@@H](CC1CC1)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000884218387 598032463 /nfs/dbraw/zinc/03/24/63/598032463.db2.gz NCJGRLXUNXSHON-MSOLQXFVSA-N 2 2 331.460 1.174 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882735178 598037861 /nfs/dbraw/zinc/03/78/61/598037861.db2.gz XNWGWMWASFUVTB-UHFFFAOYSA-N 2 2 349.541 1.091 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCOCC3)nc[nH+]2)CCN1c1cc[nH+]cc1 ZINC000882821701 598070804 /nfs/dbraw/zinc/07/08/04/598070804.db2.gz HUDLDWNZBMKSFS-OAHLLOKOSA-N 2 2 340.431 1.423 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CCN1c1cc[nH+]cc1 ZINC000882821701 598070808 /nfs/dbraw/zinc/07/08/08/598070808.db2.gz HUDLDWNZBMKSFS-OAHLLOKOSA-N 2 2 340.431 1.423 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000884401006 598094065 /nfs/dbraw/zinc/09/40/65/598094065.db2.gz BKJSYQCCFMFSBK-CABCVRRESA-N 2 2 335.448 1.124 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000884401006 598094068 /nfs/dbraw/zinc/09/40/68/598094068.db2.gz BKJSYQCCFMFSBK-CABCVRRESA-N 2 2 335.448 1.124 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001015723870 696711167 /nfs/dbraw/zinc/71/11/67/696711167.db2.gz XSGLBMNAOWUISD-IJLUTSLNSA-N 2 2 330.354 1.667 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001015723870 696711168 /nfs/dbraw/zinc/71/11/68/696711168.db2.gz XSGLBMNAOWUISD-IJLUTSLNSA-N 2 2 330.354 1.667 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000914076243 695072096 /nfs/dbraw/zinc/07/20/96/695072096.db2.gz SWOFRNVYZCUKLE-CYBMUJFWSA-N 2 2 339.509 1.736 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000914076243 695072101 /nfs/dbraw/zinc/07/21/01/695072101.db2.gz SWOFRNVYZCUKLE-CYBMUJFWSA-N 2 2 339.509 1.736 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001031033968 695239127 /nfs/dbraw/zinc/23/91/27/695239127.db2.gz DFXVSCQCXXYDOQ-KDOFPFPSSA-N 2 2 332.448 1.234 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914307686 695354553 /nfs/dbraw/zinc/35/45/53/695354553.db2.gz HYGXHXLCCGCUKN-HUUCEWRRSA-N 2 2 337.493 1.542 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914307686 695354555 /nfs/dbraw/zinc/35/45/55/695354555.db2.gz HYGXHXLCCGCUKN-HUUCEWRRSA-N 2 2 337.493 1.542 20 0 EDADLP CCc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cs1 ZINC000939857184 699996556 /nfs/dbraw/zinc/99/65/56/699996556.db2.gz AXYLGSTUEVDHJJ-GXTWGEPZSA-N 2 2 333.461 1.539 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)on1 ZINC000992853680 695409537 /nfs/dbraw/zinc/40/95/37/695409537.db2.gz FSSXLOZKOHBCAK-NUEKZKHPSA-N 2 2 343.431 1.666 20 0 EDADLP Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992863121 695411093 /nfs/dbraw/zinc/41/10/93/695411093.db2.gz QDRGPBGPLRBYNW-RRFJBIMHSA-N 2 2 342.447 1.103 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992859171 695418292 /nfs/dbraw/zinc/41/82/92/695418292.db2.gz MKAKVGNTAXUZAB-CWRNSKLLSA-N 2 2 343.431 1.666 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)CC[N@@H+]1CCO ZINC000948061636 696012088 /nfs/dbraw/zinc/01/20/88/696012088.db2.gz XNCNFBJVHCEFMU-HIFRSBDPSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)CC[N@H+]1CCO ZINC000948061636 696012091 /nfs/dbraw/zinc/01/20/91/696012091.db2.gz XNCNFBJVHCEFMU-HIFRSBDPSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CC[NH+]1CCO ZINC000948061636 696012096 /nfs/dbraw/zinc/01/20/96/696012096.db2.gz XNCNFBJVHCEFMU-HIFRSBDPSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)CC[NH+]1CCO ZINC000948061636 696012097 /nfs/dbraw/zinc/01/20/97/696012097.db2.gz XNCNFBJVHCEFMU-HIFRSBDPSA-N 2 2 337.489 1.068 20 0 EDADLP CN(C)c1cccc(C[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001031264133 696076173 /nfs/dbraw/zinc/07/61/73/696076173.db2.gz KCNXASRNGJHKFA-UHFFFAOYSA-N 2 2 328.460 1.149 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)nn1C ZINC000994419552 696834966 /nfs/dbraw/zinc/83/49/66/696834966.db2.gz IYIHYOVMYPJKQU-WMLDXEAASA-N 2 2 344.463 1.403 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)nn1C ZINC000994419552 696834969 /nfs/dbraw/zinc/83/49/69/696834969.db2.gz IYIHYOVMYPJKQU-WMLDXEAASA-N 2 2 344.463 1.403 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)on1 ZINC000994422730 696844585 /nfs/dbraw/zinc/84/45/85/696844585.db2.gz NPZAZHITLKKRPC-IUODEOHRSA-N 2 2 347.419 1.357 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)on1 ZINC000994422730 696844589 /nfs/dbraw/zinc/84/45/89/696844589.db2.gz NPZAZHITLKKRPC-IUODEOHRSA-N 2 2 347.419 1.357 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994429573 696849376 /nfs/dbraw/zinc/84/93/76/696849376.db2.gz ZAYIUHPBTWMBEU-PBHICJAKSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994500957 696944702 /nfs/dbraw/zinc/94/47/02/696944702.db2.gz AJMNMTTWLOAZJP-BBRMVZONSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994500957 696944705 /nfs/dbraw/zinc/94/47/05/696944705.db2.gz AJMNMTTWLOAZJP-BBRMVZONSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1cccnc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994510262 696954692 /nfs/dbraw/zinc/95/46/92/696954692.db2.gz UGACDJRKHDPBFB-JKSUJKDBSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1cccnc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994510262 696954694 /nfs/dbraw/zinc/95/46/94/696954694.db2.gz UGACDJRKHDPBFB-JKSUJKDBSA-N 2 2 327.432 1.756 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001031419023 697072724 /nfs/dbraw/zinc/07/27/24/697072724.db2.gz RMNZKBRLAAIUKD-HIFRSBDPSA-N 2 2 345.434 1.333 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001031419023 697072727 /nfs/dbraw/zinc/07/27/27/697072727.db2.gz RMNZKBRLAAIUKD-HIFRSBDPSA-N 2 2 345.434 1.333 20 0 EDADLP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)n1 ZINC001031594874 697294801 /nfs/dbraw/zinc/29/48/01/697294801.db2.gz LHHRVTNUWUKKCW-SFHVURJKSA-N 2 2 346.475 1.084 20 0 EDADLP CC(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)n1 ZINC001031594874 697294802 /nfs/dbraw/zinc/29/48/02/697294802.db2.gz LHHRVTNUWUKKCW-SFHVURJKSA-N 2 2 346.475 1.084 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)on1 ZINC001031669749 697465473 /nfs/dbraw/zinc/46/54/73/697465473.db2.gz SLGALSPSIBNCSV-CABCVRRESA-N 2 2 348.447 1.106 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)on1 ZINC001031669749 697465474 /nfs/dbraw/zinc/46/54/74/697465474.db2.gz SLGALSPSIBNCSV-CABCVRRESA-N 2 2 348.447 1.106 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)cn1 ZINC001031728801 698035635 /nfs/dbraw/zinc/03/56/35/698035635.db2.gz BCNUNZZJNXZZFK-QGZVFWFLSA-N 2 2 345.491 1.311 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)cn1 ZINC001031728801 698035638 /nfs/dbraw/zinc/03/56/38/698035638.db2.gz BCNUNZZJNXZZFK-QGZVFWFLSA-N 2 2 345.491 1.311 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001031729415 698053097 /nfs/dbraw/zinc/05/30/97/698053097.db2.gz MPVVSAGVTGYHHI-INIZCTEOSA-N 2 2 348.466 1.747 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001031729415 698053100 /nfs/dbraw/zinc/05/31/00/698053100.db2.gz MPVVSAGVTGYHHI-INIZCTEOSA-N 2 2 348.466 1.747 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)n1 ZINC000943767014 698820848 /nfs/dbraw/zinc/82/08/48/698820848.db2.gz PTYGXGVYZPRNBT-XJKSGUPXSA-N 2 2 344.463 1.292 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)n1 ZINC000943767014 698820851 /nfs/dbraw/zinc/82/08/51/698820851.db2.gz PTYGXGVYZPRNBT-XJKSGUPXSA-N 2 2 344.463 1.292 20 0 EDADLP CCc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995156763 701561824 /nfs/dbraw/zinc/56/18/24/701561824.db2.gz XIRDZPMAFBNJTI-UONOGXRCSA-N 2 2 345.447 1.886 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)on1 ZINC001031767009 699068414 /nfs/dbraw/zinc/06/84/14/699068414.db2.gz POXIHJUTTDXIAX-HOCLYGCPSA-N 2 2 348.447 1.248 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)on1 ZINC001031767009 699068415 /nfs/dbraw/zinc/06/84/15/699068415.db2.gz POXIHJUTTDXIAX-HOCLYGCPSA-N 2 2 348.447 1.248 20 0 EDADLP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031771700 699093291 /nfs/dbraw/zinc/09/32/91/699093291.db2.gz UOFXBZPIQVWZQJ-UHFFFAOYSA-N 2 2 338.415 1.467 20 0 EDADLP Cc1csc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000995157604 701565012 /nfs/dbraw/zinc/56/50/12/701565012.db2.gz ZMWRKPOADPNRDZ-STQMWFEESA-N 2 2 333.461 1.792 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001031776852 699170105 /nfs/dbraw/zinc/17/01/05/699170105.db2.gz QBXXPSUEKSYWBR-QGZVFWFLSA-N 2 2 347.507 1.670 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001031776852 699170107 /nfs/dbraw/zinc/17/01/07/699170107.db2.gz QBXXPSUEKSYWBR-QGZVFWFLSA-N 2 2 347.507 1.670 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)oc1C ZINC000939128816 699207766 /nfs/dbraw/zinc/20/77/66/699207766.db2.gz QJFCZLUPKKLMTH-CJNGLKHVSA-N 2 2 348.491 1.960 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)oc1C ZINC000939128816 699207767 /nfs/dbraw/zinc/20/77/67/699207767.db2.gz QJFCZLUPKKLMTH-CJNGLKHVSA-N 2 2 348.491 1.960 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031783752 699211368 /nfs/dbraw/zinc/21/13/68/699211368.db2.gz FXPDDAXQTCQRQT-SFHVURJKSA-N 2 2 338.455 1.736 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)ncn1 ZINC001031807018 699417921 /nfs/dbraw/zinc/41/79/21/699417921.db2.gz YEZMKKSVQQESKH-GOSISDBHSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)ncn1 ZINC001031807018 699417922 /nfs/dbraw/zinc/41/79/22/699417922.db2.gz YEZMKKSVQQESKH-GOSISDBHSA-N 2 2 345.491 1.453 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)o1 ZINC000939399289 699548619 /nfs/dbraw/zinc/54/86/19/699548619.db2.gz WQSAFBNQIAGKOD-GJZGRUSLSA-N 2 2 349.479 1.300 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1F ZINC000939409363 699563655 /nfs/dbraw/zinc/56/36/55/699563655.db2.gz TYGGEWRWCCHXNP-IUODEOHRSA-N 2 2 346.406 1.737 20 0 EDADLP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cs1 ZINC000939414033 699567121 /nfs/dbraw/zinc/56/71/21/699567121.db2.gz UMTGVLLQJFVKJH-BXUZGUMPSA-N 2 2 333.461 1.396 20 0 EDADLP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939534140 699672418 /nfs/dbraw/zinc/67/24/18/699672418.db2.gz ICKMWFITSZZUOG-SUMWQHHRSA-N 2 2 327.432 1.303 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939534091 699672511 /nfs/dbraw/zinc/67/25/11/699672511.db2.gz HOJRBCZULUHOFJ-SJKOYZFVSA-N 2 2 348.397 1.878 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cs1 ZINC000939534605 699675611 /nfs/dbraw/zinc/67/56/11/699675611.db2.gz LWFZZXWKFHEMBW-NHYWBVRUSA-N 2 2 333.461 1.364 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)sn1 ZINC000939534792 699675930 /nfs/dbraw/zinc/67/59/30/699675930.db2.gz MIRZORMJFJRBFV-SMDDNHRTSA-N 2 2 349.460 1.064 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995165644 701606342 /nfs/dbraw/zinc/60/63/42/701606342.db2.gz FTMLOYFUQDKGII-ZFWWWQNUSA-N 2 2 345.422 1.571 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC000939621891 699758574 /nfs/dbraw/zinc/75/85/74/699758574.db2.gz FXZVAROLSKWCMM-IAQYHMDHSA-N 2 2 347.850 1.946 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939624328 699761766 /nfs/dbraw/zinc/76/17/66/699761766.db2.gz WRTHYMATXHWMJI-YGRLFVJLSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000939627246 699765038 /nfs/dbraw/zinc/76/50/38/699765038.db2.gz RAFZTGFHIUZUJW-ACJLOTCBSA-N 2 2 342.443 1.390 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939640893 699770328 /nfs/dbraw/zinc/77/03/28/699770328.db2.gz AULULOOFKYFPQD-SJKOYZFVSA-N 2 2 345.447 1.594 20 0 EDADLP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939642341 699771565 /nfs/dbraw/zinc/77/15/65/699771565.db2.gz JDGBOYCVEKQBQA-QAPCUYQASA-N 2 2 341.459 1.693 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000939643800 699783825 /nfs/dbraw/zinc/78/38/25/699783825.db2.gz WQZOMMMILAPMEG-YJBOKZPZSA-N 2 2 348.491 1.606 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)n1 ZINC000939811040 699959202 /nfs/dbraw/zinc/95/92/02/699959202.db2.gz QDOKHUNKVRJMLS-CABCVRRESA-N 2 2 349.479 1.445 20 0 EDADLP CCc1noc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000940242982 700403879 /nfs/dbraw/zinc/40/38/79/700403879.db2.gz BQUJKRFZKJCGGM-UHFFFAOYSA-N 2 2 346.435 1.390 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000940243377 700404634 /nfs/dbraw/zinc/40/46/34/700404634.db2.gz MIPVCRGGPNXFOR-UHFFFAOYSA-N 2 2 331.420 1.741 20 0 EDADLP CCn1nc(C)c(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000940392743 700569347 /nfs/dbraw/zinc/56/93/47/700569347.db2.gz NMUSEFFVBAXEMG-UHFFFAOYSA-N 2 2 345.451 1.043 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940426712 700620435 /nfs/dbraw/zinc/62/04/35/700620435.db2.gz YVOJNKSXAHVMIC-UHFFFAOYSA-N 2 2 333.461 1.590 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940620724 700781579 /nfs/dbraw/zinc/78/15/79/700781579.db2.gz JITZPAHNLYALCZ-KGLIPLIRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940620724 700781582 /nfs/dbraw/zinc/78/15/82/700781582.db2.gz JITZPAHNLYALCZ-KGLIPLIRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940620724 700781584 /nfs/dbraw/zinc/78/15/84/700781584.db2.gz JITZPAHNLYALCZ-KGLIPLIRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940620724 700781587 /nfs/dbraw/zinc/78/15/87/700781587.db2.gz JITZPAHNLYALCZ-KGLIPLIRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940616555 700798607 /nfs/dbraw/zinc/79/86/07/700798607.db2.gz CCOCRBIYRYXEAQ-IRXDYDNUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940616555 700798609 /nfs/dbraw/zinc/79/86/09/700798609.db2.gz CCOCRBIYRYXEAQ-IRXDYDNUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940616555 700798611 /nfs/dbraw/zinc/79/86/11/700798611.db2.gz CCOCRBIYRYXEAQ-IRXDYDNUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940616555 700798612 /nfs/dbraw/zinc/79/86/12/700798612.db2.gz CCOCRBIYRYXEAQ-IRXDYDNUSA-N 2 2 345.491 1.596 20 0 EDADLP O=C(NCC1C[NH+](CC2CCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001031920464 701045581 /nfs/dbraw/zinc/04/55/81/701045581.db2.gz GORPAUWGWGGIED-SFHVURJKSA-N 2 2 335.492 1.478 20 0 EDADLP O=C(NCC1C[NH+](CC2CCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001031920464 701045583 /nfs/dbraw/zinc/04/55/83/701045583.db2.gz GORPAUWGWGGIED-SFHVURJKSA-N 2 2 335.492 1.478 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000995116413 701053122 /nfs/dbraw/zinc/05/31/22/701053122.db2.gz NCUWZHZQJWJWDN-KGLIPLIRSA-N 2 2 345.451 1.199 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995119199 701103942 /nfs/dbraw/zinc/10/39/42/701103942.db2.gz WGJBRLLEXNCXEH-DZGCQCFKSA-N 2 2 330.436 1.069 20 0 EDADLP CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060358 701106974 /nfs/dbraw/zinc/10/69/74/701106974.db2.gz FXBLCTCVKYQDFP-ZBFHGGJFSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060358 701106976 /nfs/dbraw/zinc/10/69/76/701106976.db2.gz FXBLCTCVKYQDFP-ZBFHGGJFSA-N 2 2 334.464 1.596 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@H](C)c3ccccc3F)C2)C1 ZINC001032197525 701695494 /nfs/dbraw/zinc/69/54/94/701695494.db2.gz NFLGEARPTULBQX-KDOFPFPSSA-N 2 2 349.450 1.655 20 0 EDADLP CC1(C)C[N@H+](Cc2cccnc2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941125528 701183254 /nfs/dbraw/zinc/18/32/54/701183254.db2.gz BHUDSDADORTTSF-OAHLLOKOSA-N 2 2 327.432 1.764 20 0 EDADLP CC1(C)C[N@@H+](Cc2cccnc2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941125528 701183256 /nfs/dbraw/zinc/18/32/56/701183256.db2.gz BHUDSDADORTTSF-OAHLLOKOSA-N 2 2 327.432 1.764 20 0 EDADLP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cn1 ZINC000945809017 701200572 /nfs/dbraw/zinc/20/05/72/701200572.db2.gz QQWUPFIAHYIZLO-WBVHZDCISA-N 2 2 344.463 1.169 20 0 EDADLP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cn1 ZINC000945809017 701200575 /nfs/dbraw/zinc/20/05/75/701200575.db2.gz QQWUPFIAHYIZLO-WBVHZDCISA-N 2 2 344.463 1.169 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809858 701202172 /nfs/dbraw/zinc/20/21/72/701202172.db2.gz VPUIATIATHJOOY-YPMHNXCESA-N 2 2 334.449 1.070 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809858 701202174 /nfs/dbraw/zinc/20/21/74/701202174.db2.gz VPUIATIATHJOOY-YPMHNXCESA-N 2 2 334.449 1.070 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941158046 701222012 /nfs/dbraw/zinc/22/20/12/701222012.db2.gz JYSNJECIIQWAOL-GJZGRUSLSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941158046 701222013 /nfs/dbraw/zinc/22/20/13/701222013.db2.gz JYSNJECIIQWAOL-GJZGRUSLSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941158046 701222014 /nfs/dbraw/zinc/22/20/14/701222014.db2.gz JYSNJECIIQWAOL-GJZGRUSLSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941158046 701222015 /nfs/dbraw/zinc/22/20/15/701222015.db2.gz JYSNJECIIQWAOL-GJZGRUSLSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nc(C)c(C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)o1 ZINC001031930809 701375707 /nfs/dbraw/zinc/37/57/07/701375707.db2.gz BNRDUJLUFMRRQW-UHFFFAOYSA-N 2 2 346.431 1.808 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)co1 ZINC000941166393 701377299 /nfs/dbraw/zinc/37/72/99/701377299.db2.gz GNAHZRKKBYCOBF-MRXNPFEDSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)co1 ZINC000941166393 701377300 /nfs/dbraw/zinc/37/73/00/701377300.db2.gz GNAHZRKKBYCOBF-MRXNPFEDSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)sn1 ZINC001031932151 701383486 /nfs/dbraw/zinc/38/34/86/701383486.db2.gz VTNVTPCZPHJDDS-UHFFFAOYSA-N 2 2 348.472 1.968 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)nc1 ZINC000941218200 701408826 /nfs/dbraw/zinc/40/88/26/701408826.db2.gz XBGPCHYPGOIXDW-HOTGVXAUSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)nc1 ZINC000941218200 701408828 /nfs/dbraw/zinc/40/88/28/701408828.db2.gz XBGPCHYPGOIXDW-HOTGVXAUSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)nc1 ZINC000941218200 701408830 /nfs/dbraw/zinc/40/88/30/701408830.db2.gz XBGPCHYPGOIXDW-HOTGVXAUSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)nc1 ZINC000941218200 701408831 /nfs/dbraw/zinc/40/88/31/701408831.db2.gz XBGPCHYPGOIXDW-HOTGVXAUSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941221380 701412196 /nfs/dbraw/zinc/41/21/96/701412196.db2.gz SDURJFIQPRHXHB-KRWDZBQOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941221380 701412198 /nfs/dbraw/zinc/41/21/98/701412198.db2.gz SDURJFIQPRHXHB-KRWDZBQOSA-N 2 2 345.491 1.598 20 0 EDADLP CC1(C)C[N@H+](CCOC2CCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247006 701423758 /nfs/dbraw/zinc/42/37/58/701423758.db2.gz AXEWDLNPRRPMCM-MRXNPFEDSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)C[N@@H+](CCOC2CCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247006 701423759 /nfs/dbraw/zinc/42/37/59/701423759.db2.gz AXEWDLNPRRPMCM-MRXNPFEDSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)C[N@H+](C[C@@H]2CCCCO2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247172 701423845 /nfs/dbraw/zinc/42/38/45/701423845.db2.gz FFCXKUXCFMZWJE-JKSUJKDBSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)C[N@@H+](C[C@@H]2CCCCO2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247172 701423846 /nfs/dbraw/zinc/42/38/46/701423846.db2.gz FFCXKUXCFMZWJE-JKSUJKDBSA-N 2 2 334.464 1.669 20 0 EDADLP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941247338 701424126 /nfs/dbraw/zinc/42/41/26/701424126.db2.gz IWRIBFZNOMKDCF-MRXNPFEDSA-N 2 2 344.463 1.076 20 0 EDADLP Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941247338 701424127 /nfs/dbraw/zinc/42/41/27/701424127.db2.gz IWRIBFZNOMKDCF-MRXNPFEDSA-N 2 2 344.463 1.076 20 0 EDADLP O=C(NCC1C[NH+](Cc2cc(C3CC3)no2)C1)C12CC[NH+](CC1)C2 ZINC001032130686 701847362 /nfs/dbraw/zinc/84/73/62/701847362.db2.gz ZBMAJJQYBZBRKE-UHFFFAOYSA-N 2 2 330.432 1.196 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCc1ccns1 ZINC000995748148 701982794 /nfs/dbraw/zinc/98/27/94/701982794.db2.gz QKGNNIKRRXKEBE-AWEZNQCLSA-N 2 2 347.488 1.868 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001031977361 702019283 /nfs/dbraw/zinc/01/92/83/702019283.db2.gz YNKGESVHNQBMSJ-SWLSCSKDSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001031977361 702019289 /nfs/dbraw/zinc/01/92/89/702019289.db2.gz YNKGESVHNQBMSJ-SWLSCSKDSA-N 2 2 337.414 1.711 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnns2)C1 ZINC000995187209 702174881 /nfs/dbraw/zinc/17/48/81/702174881.db2.gz RGWCAISAZYUSPY-NWDGAFQWSA-N 2 2 334.449 1.187 20 0 EDADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182666 702206756 /nfs/dbraw/zinc/20/67/56/702206756.db2.gz OTYZHKJPQJFGAA-HIFRSBDPSA-N 2 2 342.443 1.889 20 0 EDADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182666 702206761 /nfs/dbraw/zinc/20/67/61/702206761.db2.gz OTYZHKJPQJFGAA-HIFRSBDPSA-N 2 2 342.443 1.889 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnc(C)cn2)C1 ZINC000995188426 702217030 /nfs/dbraw/zinc/21/70/30/702217030.db2.gz WHFDDNZUAAJCLG-CABCVRRESA-N 2 2 342.447 1.434 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)ncn1 ZINC000944097622 702263696 /nfs/dbraw/zinc/26/36/96/702263696.db2.gz JAWMYIYZUFDAAM-DYVFJYSZSA-N 2 2 342.447 1.088 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)ncn1 ZINC000944097622 702263700 /nfs/dbraw/zinc/26/37/00/702263700.db2.gz JAWMYIYZUFDAAM-DYVFJYSZSA-N 2 2 342.447 1.088 20 0 EDADLP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097951 702265396 /nfs/dbraw/zinc/26/53/96/702265396.db2.gz LPFPNAHDTKZNKJ-CJNGLKHVSA-N 2 2 347.488 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097951 702265398 /nfs/dbraw/zinc/26/53/98/702265398.db2.gz LPFPNAHDTKZNKJ-CJNGLKHVSA-N 2 2 347.488 1.488 20 0 EDADLP C[N@H+](CC(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1)C1CCC1 ZINC000995915744 702275514 /nfs/dbraw/zinc/27/55/14/702275514.db2.gz GNVDGZDONXOKAL-ZDUSSCGKSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@@H+](CC(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1)C1CCC1 ZINC000995915744 702275520 /nfs/dbraw/zinc/27/55/20/702275520.db2.gz GNVDGZDONXOKAL-ZDUSSCGKSA-N 2 2 337.493 1.349 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944120057 702284183 /nfs/dbraw/zinc/28/41/83/702284183.db2.gz DMLJTDUFQUSDLP-GDBMZVCRSA-N 2 2 343.431 1.354 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC000944120057 702284186 /nfs/dbraw/zinc/28/41/86/702284186.db2.gz DMLJTDUFQUSDLP-GDBMZVCRSA-N 2 2 343.431 1.354 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ncccn2)C(C)(C)C1 ZINC000996045483 702439696 /nfs/dbraw/zinc/43/96/96/702439696.db2.gz XDNKLTBQDBWHDD-LSDHHAIUSA-N 2 2 342.447 1.569 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996104646 702518737 /nfs/dbraw/zinc/51/87/37/702518737.db2.gz DETLQDIPYFXCIT-INIZCTEOSA-N 2 2 342.447 1.398 20 0 EDADLP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996105692 702565702 /nfs/dbraw/zinc/56/57/02/702565702.db2.gz JZDWUIFCDYWYLP-MRXNPFEDSA-N 2 2 344.463 1.076 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCF ZINC000996190650 702596295 /nfs/dbraw/zinc/59/62/95/702596295.db2.gz MKLWRSNQPXWSHY-JKSUJKDBSA-N 2 2 341.471 1.426 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCF ZINC000996190650 702596299 /nfs/dbraw/zinc/59/62/99/702596299.db2.gz MKLWRSNQPXWSHY-JKSUJKDBSA-N 2 2 341.471 1.426 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)o1 ZINC000996242919 702647366 /nfs/dbraw/zinc/64/73/66/702647366.db2.gz AXFVBNDVKLQRTF-DZGCQCFKSA-N 2 2 337.468 1.291 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)sn1 ZINC000996353701 702731977 /nfs/dbraw/zinc/73/19/77/702731977.db2.gz CIIDLBIGHDTSET-CQSZACIVSA-N 2 2 333.461 1.744 20 0 EDADLP COc1ccnc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)c1 ZINC000996355359 702732935 /nfs/dbraw/zinc/73/29/35/702732935.db2.gz KUNBFBVOUHUEEY-INIZCTEOSA-N 2 2 343.431 1.383 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996400551 702757025 /nfs/dbraw/zinc/75/70/25/702757025.db2.gz VXGZMDGAHDFEFO-BBRMVZONSA-N 2 2 344.463 1.349 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@H]([NH2+]C[C@H](C)O)C(C)(C)C3)[nH+]c12 ZINC000996414874 702765694 /nfs/dbraw/zinc/76/56/94/702765694.db2.gz QMQJXHIXHYQNSD-HOCLYGCPSA-N 2 2 344.459 1.393 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC000996437364 702767856 /nfs/dbraw/zinc/76/78/56/702767856.db2.gz VKTXZPKEJMVQKL-HNNXBMFYSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC000996437364 702767859 /nfs/dbraw/zinc/76/78/59/702767859.db2.gz VKTXZPKEJMVQKL-HNNXBMFYSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996516191 702852049 /nfs/dbraw/zinc/85/20/49/702852049.db2.gz XXZSQNAETYOBDC-INIZCTEOSA-N 2 2 345.447 1.594 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC2(C)C)nn1C ZINC000996561127 702875054 /nfs/dbraw/zinc/87/50/54/702875054.db2.gz HOFJTOVFQMZBHM-MRXNPFEDSA-N 2 2 344.463 1.329 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)s1 ZINC000996649011 702950579 /nfs/dbraw/zinc/95/05/79/702950579.db2.gz AABGXATZZUTQIE-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)s1 ZINC000996649011 702950580 /nfs/dbraw/zinc/95/05/80/702950580.db2.gz AABGXATZZUTQIE-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001032312945 702959517 /nfs/dbraw/zinc/95/95/17/702959517.db2.gz CFQIRQKVMKPNLZ-XYJFISCASA-N 2 2 329.444 1.575 20 0 EDADLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)cc1 ZINC001032312945 702959520 /nfs/dbraw/zinc/95/95/20/702959520.db2.gz CFQIRQKVMKPNLZ-XYJFISCASA-N 2 2 329.444 1.575 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001032312945 702959522 /nfs/dbraw/zinc/95/95/22/702959522.db2.gz CFQIRQKVMKPNLZ-XYJFISCASA-N 2 2 329.444 1.575 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001032312945 702959524 /nfs/dbraw/zinc/95/95/24/702959524.db2.gz CFQIRQKVMKPNLZ-XYJFISCASA-N 2 2 329.444 1.575 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1)c1cccnc1 ZINC000996685270 702983225 /nfs/dbraw/zinc/98/32/25/702983225.db2.gz BVLPEABNPJGLDT-SJORKVTESA-N 2 2 330.476 1.921 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995256751 703006070 /nfs/dbraw/zinc/00/60/70/703006070.db2.gz ZYYWEIPBVSAFGI-CABCVRRESA-N 2 2 343.431 1.361 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC000995255189 703008828 /nfs/dbraw/zinc/00/88/28/703008828.db2.gz WERSXBBLZWVXMU-ZBFHGGJFSA-N 2 2 343.431 1.361 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996715639 703010418 /nfs/dbraw/zinc/01/04/18/703010418.db2.gz OUWIKEWMEKYEDU-MRXNPFEDSA-N 2 2 345.447 1.769 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C[C@H]1C ZINC000942517748 703011029 /nfs/dbraw/zinc/01/10/29/703011029.db2.gz FSBDLEYADPANNK-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)o2)C[C@H]1C ZINC000942517748 703011031 /nfs/dbraw/zinc/01/10/31/703011031.db2.gz FSBDLEYADPANNK-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)cs1 ZINC000996718568 703012135 /nfs/dbraw/zinc/01/21/35/703012135.db2.gz ZWGOGRZXKMXKEL-AWEZNQCLSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]Cc3nnc(C)o3)CC2)c[nH+]1 ZINC000996719476 703013439 /nfs/dbraw/zinc/01/34/39/703013439.db2.gz ZBUYJJUFNHBZJE-UHFFFAOYSA-N 2 2 346.435 1.399 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]C[C@H]3CCCOC3)CC2)c[nH+]1 ZINC000996717270 703016081 /nfs/dbraw/zinc/01/60/81/703016081.db2.gz OAVCKRDELUDDOA-MRXNPFEDSA-N 2 2 348.491 1.934 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncs2)C[C@@H]1C ZINC000942518430 703018002 /nfs/dbraw/zinc/01/80/02/703018002.db2.gz RLBRAZMTHPPRPC-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cncs2)C[C@@H]1C ZINC000942518430 703018004 /nfs/dbraw/zinc/01/80/04/703018004.db2.gz RLBRAZMTHPPRPC-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996733346 703029718 /nfs/dbraw/zinc/02/97/18/703029718.db2.gz SPEFMPDHQPQYIL-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000996745095 703039835 /nfs/dbraw/zinc/03/98/35/703039835.db2.gz BTIIKEUZSYEZTJ-UHFFFAOYSA-N 2 2 347.419 1.427 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996760606 703048909 /nfs/dbraw/zinc/04/89/09/703048909.db2.gz UUTMEVILKBSSFF-QAPCUYQASA-N 2 2 346.475 1.595 20 0 EDADLP Cn1nccc1C[NH2+]C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000996797177 703089516 /nfs/dbraw/zinc/08/95/16/703089516.db2.gz XDJWUWKGDSFJRX-UHFFFAOYSA-N 2 2 338.415 1.462 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCCCC2)C1 ZINC001032331614 703111850 /nfs/dbraw/zinc/11/18/50/703111850.db2.gz GNLPBTLJACIBOI-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCCCC2)C1 ZINC001032331614 703111851 /nfs/dbraw/zinc/11/18/51/703111851.db2.gz GNLPBTLJACIBOI-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCCC2)C1 ZINC001032331614 703111852 /nfs/dbraw/zinc/11/18/52/703111852.db2.gz GNLPBTLJACIBOI-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCCC2)C1 ZINC001032331614 703111854 /nfs/dbraw/zinc/11/18/54/703111854.db2.gz GNLPBTLJACIBOI-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC3(CC3)CC2)C1 ZINC001032331733 703113004 /nfs/dbraw/zinc/11/30/04/703113004.db2.gz IUDCRADBLWCMRW-OKZBNKHCSA-N 2 2 347.503 1.573 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC3(CC3)CC2)C1 ZINC001032331733 703113006 /nfs/dbraw/zinc/11/30/06/703113006.db2.gz IUDCRADBLWCMRW-OKZBNKHCSA-N 2 2 347.503 1.573 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC3(CC3)CC2)C1 ZINC001032331733 703113008 /nfs/dbraw/zinc/11/30/08/703113008.db2.gz IUDCRADBLWCMRW-OKZBNKHCSA-N 2 2 347.503 1.573 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC3(CC3)CC2)C1 ZINC001032331733 703113010 /nfs/dbraw/zinc/11/30/10/703113010.db2.gz IUDCRADBLWCMRW-OKZBNKHCSA-N 2 2 347.503 1.573 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ncccn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598453 703113651 /nfs/dbraw/zinc/11/36/51/703113651.db2.gz XRJIOHBHMGCJSK-GDBMZVCRSA-N 2 2 331.464 1.145 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ncccn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598453 703113654 /nfs/dbraw/zinc/11/36/54/703113654.db2.gz XRJIOHBHMGCJSK-GDBMZVCRSA-N 2 2 331.464 1.145 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996976958 703241919 /nfs/dbraw/zinc/24/19/19/703241919.db2.gz FMGDJTQIZACLES-IUODEOHRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996976958 703241921 /nfs/dbraw/zinc/24/19/21/703241921.db2.gz FMGDJTQIZACLES-IUODEOHRSA-N 2 2 335.452 1.189 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996987981 703245566 /nfs/dbraw/zinc/24/55/66/703245566.db2.gz IXWCMZQMRKFMDN-CVEARBPZSA-N 2 2 346.475 1.979 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996988441 703245748 /nfs/dbraw/zinc/24/57/48/703245748.db2.gz IZIQWTHTLRCEBP-OAHLLOKOSA-N 2 2 342.447 1.307 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996989281 703246315 /nfs/dbraw/zinc/24/63/15/703246315.db2.gz MTYVOKHUCFODIV-HNNXBMFYSA-N 2 2 343.431 1.907 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)on1 ZINC001032043658 703251054 /nfs/dbraw/zinc/25/10/54/703251054.db2.gz LHEMLQJISWECTL-NVXWUHKLSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)on1 ZINC001032043658 703251057 /nfs/dbraw/zinc/25/10/57/703251057.db2.gz LHEMLQJISWECTL-NVXWUHKLSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)nn1C ZINC000997046957 703295589 /nfs/dbraw/zinc/29/55/89/703295589.db2.gz RRVQPVADOYBGGM-OAHLLOKOSA-N 2 2 344.463 1.657 20 0 EDADLP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997186609 703475960 /nfs/dbraw/zinc/47/59/60/703475960.db2.gz MJYTUDXWMDGIJO-ZBFHGGJFSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2ncnn2C(C)C)CC1 ZINC000997209425 703509402 /nfs/dbraw/zinc/50/94/02/703509402.db2.gz DLBJMZUZGGOFOB-UHFFFAOYSA-N 2 2 345.451 1.214 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1)c1ncccn1 ZINC000997236049 703522889 /nfs/dbraw/zinc/52/28/89/703522889.db2.gz GJOWVDIUCAPNDQ-CQSZACIVSA-N 2 2 342.447 1.485 20 0 EDADLP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000997299301 703556924 /nfs/dbraw/zinc/55/69/24/703556924.db2.gz XXEDZGMENSTWOP-UKRRQHHQSA-N 2 2 334.464 1.693 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cc1)C1CC1 ZINC001032444745 703622172 /nfs/dbraw/zinc/62/21/72/703622172.db2.gz LIOUZJAIKXCDHH-OKZBNKHCSA-N 2 2 331.435 1.951 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cc1)C1CC1 ZINC001032444745 703622174 /nfs/dbraw/zinc/62/21/74/703622174.db2.gz LIOUZJAIKXCDHH-OKZBNKHCSA-N 2 2 331.435 1.951 20 0 EDADLP Cc1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)c(C)n1 ZINC000997412510 703668293 /nfs/dbraw/zinc/66/82/93/703668293.db2.gz AZLNGLVJPNQDTF-UHFFFAOYSA-N 2 2 327.432 1.676 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000997417658 703669412 /nfs/dbraw/zinc/66/94/12/703669412.db2.gz QOGFOEUXFHWACB-ZDUSSCGKSA-N 2 2 326.391 1.899 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](CC)[NH+](C)C)o1 ZINC001032474657 703693608 /nfs/dbraw/zinc/69/36/08/703693608.db2.gz HIBJOVKUHQPLBJ-SOUVJXGZSA-N 2 2 334.464 1.671 20 0 EDADLP CC[C@H](C[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1)OC ZINC000948604728 703852319 /nfs/dbraw/zinc/85/23/19/703852319.db2.gz XLHVYHAMUOULRD-OAHLLOKOSA-N 2 2 339.505 1.993 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)no1 ZINC001004203167 703938558 /nfs/dbraw/zinc/93/85/58/703938558.db2.gz IBAGJJCZLNPCGE-KBPBESRZSA-N 2 2 334.464 1.936 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001004210474 703954395 /nfs/dbraw/zinc/95/43/95/703954395.db2.gz WDUWBDXZRCMGSN-HOCLYGCPSA-N 2 2 348.495 1.331 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC001004210474 703954399 /nfs/dbraw/zinc/95/43/99/703954399.db2.gz WDUWBDXZRCMGSN-HOCLYGCPSA-N 2 2 348.495 1.331 20 0 EDADLP CN(C)c1cc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)ccn1 ZINC001004257916 704086109 /nfs/dbraw/zinc/08/61/09/704086109.db2.gz NBJBETUABYGASC-UHFFFAOYSA-N 2 2 342.447 1.125 20 0 EDADLP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033097881 704196594 /nfs/dbraw/zinc/19/65/94/704196594.db2.gz XZXHCGFCXNVVQN-GDBMZVCRSA-N 2 2 334.464 1.330 20 0 EDADLP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033097881 704196595 /nfs/dbraw/zinc/19/65/95/704196595.db2.gz XZXHCGFCXNVVQN-GDBMZVCRSA-N 2 2 334.464 1.330 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999301902 706805261 /nfs/dbraw/zinc/80/52/61/706805261.db2.gz DRTIASWEOWJWDM-LSDHHAIUSA-N 2 2 335.452 1.333 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999301902 706805263 /nfs/dbraw/zinc/80/52/63/706805263.db2.gz DRTIASWEOWJWDM-LSDHHAIUSA-N 2 2 335.452 1.333 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712271 706815767 /nfs/dbraw/zinc/81/57/67/706815767.db2.gz QBKZDQKGLQFQOZ-JQFCIGGWSA-N 2 2 326.400 1.152 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712271 706815769 /nfs/dbraw/zinc/81/57/69/706815769.db2.gz QBKZDQKGLQFQOZ-JQFCIGGWSA-N 2 2 326.400 1.152 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C)C1CCC1 ZINC001032534968 704567503 /nfs/dbraw/zinc/56/75/03/704567503.db2.gz NEQSVVDOUBNLHC-ULQDDVLXSA-N 2 2 346.475 1.453 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C)C1CCC1 ZINC001032534968 704567505 /nfs/dbraw/zinc/56/75/05/704567505.db2.gz NEQSVVDOUBNLHC-ULQDDVLXSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997737615 704634848 /nfs/dbraw/zinc/63/48/48/704634848.db2.gz JYOFBPIOOXRLIN-UHFFFAOYSA-N 2 2 345.422 1.905 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000997739694 704637778 /nfs/dbraw/zinc/63/77/78/704637778.db2.gz XPXPTSICSGDEPJ-UHFFFAOYSA-N 2 2 333.461 1.827 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)O1 ZINC000997818882 704740410 /nfs/dbraw/zinc/74/04/10/704740410.db2.gz YXWPAOZNOLLUEY-PBHICJAKSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)O1 ZINC000997818882 704740412 /nfs/dbraw/zinc/74/04/12/704740412.db2.gz YXWPAOZNOLLUEY-PBHICJAKSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997860050 704768984 /nfs/dbraw/zinc/76/89/84/704768984.db2.gz DAJKGXBIURZLOO-SWLSCSKDSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997860050 704768987 /nfs/dbraw/zinc/76/89/87/704768987.db2.gz DAJKGXBIURZLOO-SWLSCSKDSA-N 2 2 335.452 1.046 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000997928316 705032636 /nfs/dbraw/zinc/03/26/36/705032636.db2.gz HWYHHOHBRTXIFT-UHFFFAOYSA-N 2 2 348.491 1.608 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)co1 ZINC000997952292 705072732 /nfs/dbraw/zinc/07/27/32/705072732.db2.gz LBZWQRLAOXAOQN-UHFFFAOYSA-N 2 2 331.420 1.598 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000997960369 705093592 /nfs/dbraw/zinc/09/35/92/705093592.db2.gz LFRRSACOMSQGOU-RTWZZBQXSA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000997960369 705093597 /nfs/dbraw/zinc/09/35/97/705093597.db2.gz LFRRSACOMSQGOU-RTWZZBQXSA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000997960369 705093602 /nfs/dbraw/zinc/09/36/02/705093602.db2.gz LFRRSACOMSQGOU-RTWZZBQXSA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000997960369 705093607 /nfs/dbraw/zinc/09/36/07/705093607.db2.gz LFRRSACOMSQGOU-RTWZZBQXSA-N 2 2 343.899 1.773 20 0 EDADLP Cc1nnsc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000998117624 705366807 /nfs/dbraw/zinc/36/68/07/705366807.db2.gz BENZXMUWCDLSLE-UHFFFAOYSA-N 2 2 334.449 1.141 20 0 EDADLP CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000998118415 705367892 /nfs/dbraw/zinc/36/78/92/705367892.db2.gz HPPDZPMNCSIBQX-UHFFFAOYSA-N 2 2 345.447 1.839 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1)c1csnn1 ZINC000998221074 705545590 /nfs/dbraw/zinc/54/55/90/705545590.db2.gz BABOQTAMXFKDHI-LBPRGKRZSA-N 2 2 348.476 1.404 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001032628265 705741586 /nfs/dbraw/zinc/74/15/86/705741586.db2.gz VKWHKDJNEZQEMS-SNPRPXQTSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001032628265 705741589 /nfs/dbraw/zinc/74/15/89/705741589.db2.gz VKWHKDJNEZQEMS-SNPRPXQTSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032628265 705741592 /nfs/dbraw/zinc/74/15/92/705741592.db2.gz VKWHKDJNEZQEMS-SNPRPXQTSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001032628265 705741594 /nfs/dbraw/zinc/74/15/94/705741594.db2.gz VKWHKDJNEZQEMS-SNPRPXQTSA-N 2 2 334.489 1.578 20 0 EDADLP CC(C)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000998324290 705746601 /nfs/dbraw/zinc/74/66/01/705746601.db2.gz OGAFYAORZIEFSI-STQMWFEESA-N 2 2 332.370 1.908 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3F)C2)C1 ZINC000998813566 706256658 /nfs/dbraw/zinc/25/66/58/706256658.db2.gz WELIUTJKJWUUHU-WBVHZDCISA-N 2 2 335.423 1.237 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3F)C2)C1 ZINC000998813566 706256662 /nfs/dbraw/zinc/25/66/62/706256662.db2.gz WELIUTJKJWUUHU-WBVHZDCISA-N 2 2 335.423 1.237 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]CCc2ccns2)C1 ZINC000998939025 706378915 /nfs/dbraw/zinc/37/89/15/706378915.db2.gz LMXWYYXRCDAAOV-BBNOBNGHSA-N 2 2 345.472 1.791 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CCc2ccns2)C1 ZINC000998939025 706378919 /nfs/dbraw/zinc/37/89/19/706378919.db2.gz LMXWYYXRCDAAOV-BBNOBNGHSA-N 2 2 345.472 1.791 20 0 EDADLP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)o1 ZINC000999005597 706445596 /nfs/dbraw/zinc/44/55/96/706445596.db2.gz SWMABJFNDPNTSE-NFOMZHRRSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1C ZINC000999038073 706453646 /nfs/dbraw/zinc/45/36/46/706453646.db2.gz DBWNVRLMNDMVCA-CQSZACIVSA-N 2 2 330.436 1.165 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999110749 706537586 /nfs/dbraw/zinc/53/75/86/706537586.db2.gz LQAUJMOMZOSKCY-QQFBHYJXSA-N 2 2 342.443 1.954 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)[nH]1 ZINC000999363572 706877291 /nfs/dbraw/zinc/87/72/91/706877291.db2.gz IZWGIVWJYHINCT-CQSZACIVSA-N 2 2 348.495 1.493 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)[nH]1 ZINC000999363572 706877295 /nfs/dbraw/zinc/87/72/95/706877295.db2.gz IZWGIVWJYHINCT-CQSZACIVSA-N 2 2 348.495 1.493 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000999371913 706886001 /nfs/dbraw/zinc/88/60/01/706886001.db2.gz NJPDVCVMVAEGKH-HUUCEWRRSA-N 2 2 329.404 1.529 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000999413135 706922781 /nfs/dbraw/zinc/92/27/81/706922781.db2.gz QYVYHDBBPUZRNW-RBSFLKMASA-N 2 2 328.420 1.028 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999414928 706924353 /nfs/dbraw/zinc/92/43/53/706924353.db2.gz YRNIOCVGWILMRY-ARFHVFGLSA-N 2 2 343.406 1.828 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999414925 706924402 /nfs/dbraw/zinc/92/44/02/706924402.db2.gz YQTNMAFITLUYHF-BZUAXINKSA-N 2 2 339.443 1.997 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1)[NH+](C)C ZINC000999424124 706929882 /nfs/dbraw/zinc/92/98/82/706929882.db2.gz PRNNNFYHGCSSGA-OCCSQVGLSA-N 2 2 325.482 1.205 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000999472455 706981019 /nfs/dbraw/zinc/98/10/19/706981019.db2.gz HABKZDOWRGUZOJ-DNOWBOINSA-N 2 2 328.420 1.391 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999510767 707009227 /nfs/dbraw/zinc/00/92/27/707009227.db2.gz LZWJWXQRGNOGAA-GJZGRUSLSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999510767 707009230 /nfs/dbraw/zinc/00/92/30/707009230.db2.gz LZWJWXQRGNOGAA-GJZGRUSLSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC000999490914 707027649 /nfs/dbraw/zinc/02/76/49/707027649.db2.gz UFFIOWJHUCADDX-OAHLLOKOSA-N 2 2 347.463 1.335 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999534417 707035119 /nfs/dbraw/zinc/03/51/19/707035119.db2.gz DYYMUNRPSQXDIK-WBVHZDCISA-N 2 2 339.443 1.621 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000999680744 707165555 /nfs/dbraw/zinc/16/55/55/707165555.db2.gz IUKJMGPLVKKLEW-CVEARBPZSA-N 2 2 342.443 1.955 20 0 EDADLP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000999689189 707244609 /nfs/dbraw/zinc/24/46/09/707244609.db2.gz PFZFSUAHOKIOCQ-UHFFFAOYSA-N 2 2 327.432 1.445 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999726729 707268854 /nfs/dbraw/zinc/26/88/54/707268854.db2.gz OXNJUZNNQAECSC-KGLIPLIRSA-N 2 2 346.435 1.479 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000999730359 707274249 /nfs/dbraw/zinc/27/42/49/707274249.db2.gz YMISGBRXVOTPLD-OAHLLOKOSA-N 2 2 343.431 1.531 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033265741 707290534 /nfs/dbraw/zinc/29/05/34/707290534.db2.gz JITOCDPUFRXZGN-MRXNPFEDSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033265741 707290536 /nfs/dbraw/zinc/29/05/36/707290536.db2.gz JITOCDPUFRXZGN-MRXNPFEDSA-N 2 2 328.420 1.023 20 0 EDADLP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033271837 707324885 /nfs/dbraw/zinc/32/48/85/707324885.db2.gz LDQDLRWURTXOTM-KRWDZBQOSA-N 2 2 338.415 1.414 20 0 EDADLP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033271837 707324889 /nfs/dbraw/zinc/32/48/89/707324889.db2.gz LDQDLRWURTXOTM-KRWDZBQOSA-N 2 2 338.415 1.414 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000999775574 707335297 /nfs/dbraw/zinc/33/52/97/707335297.db2.gz LTEPKDUKBNUTIW-CVEARBPZSA-N 2 2 334.464 1.502 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181319 707341740 /nfs/dbraw/zinc/34/17/40/707341740.db2.gz HYCAKYXHRUAKJB-INIZCTEOSA-N 2 2 346.475 1.892 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181319 707341742 /nfs/dbraw/zinc/34/17/42/707341742.db2.gz HYCAKYXHRUAKJB-INIZCTEOSA-N 2 2 346.475 1.892 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999746476 707345820 /nfs/dbraw/zinc/34/58/20/707345820.db2.gz HDXNJJUDGFYLON-UHFFFAOYSA-N 2 2 331.395 1.574 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999791988 707362871 /nfs/dbraw/zinc/36/28/71/707362871.db2.gz LPBJFFMIMSWRSJ-SJLPKXTDSA-N 2 2 346.475 1.938 20 0 EDADLP C[C@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004830140 707391355 /nfs/dbraw/zinc/39/13/55/707391355.db2.gz GBSDBKKXWRNYBX-LSDHHAIUSA-N 2 2 344.463 1.635 20 0 EDADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033199565 707449882 /nfs/dbraw/zinc/44/98/82/707449882.db2.gz VOOGZNUQCJDOIZ-DLBZAZTESA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033199565 707449884 /nfs/dbraw/zinc/44/98/84/707449884.db2.gz VOOGZNUQCJDOIZ-DLBZAZTESA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033199565 707449888 /nfs/dbraw/zinc/44/98/88/707449888.db2.gz VOOGZNUQCJDOIZ-DLBZAZTESA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033199565 707449889 /nfs/dbraw/zinc/44/98/89/707449889.db2.gz VOOGZNUQCJDOIZ-DLBZAZTESA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1)n1cc[nH+]c1 ZINC000946803482 707464131 /nfs/dbraw/zinc/46/41/31/707464131.db2.gz IDOLRMHEXVBFBR-ZACQAIPSSA-N 2 2 334.464 1.387 20 0 EDADLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1)n1cc[nH+]c1 ZINC000946803482 707464133 /nfs/dbraw/zinc/46/41/33/707464133.db2.gz IDOLRMHEXVBFBR-ZACQAIPSSA-N 2 2 334.464 1.387 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999836589 707472292 /nfs/dbraw/zinc/47/22/92/707472292.db2.gz NBIHLSYUVAJXLP-GOSISDBHSA-N 2 2 342.443 1.546 20 0 EDADLP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033308214 707472897 /nfs/dbraw/zinc/47/28/97/707472897.db2.gz FHUJAZLPBAGXQJ-PBHICJAKSA-N 2 2 328.416 1.399 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999882705 707535411 /nfs/dbraw/zinc/53/54/11/707535411.db2.gz OWTIXDKUEIMYBD-ZFWWWQNUSA-N 2 2 349.479 1.894 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001004876244 707542928 /nfs/dbraw/zinc/54/29/28/707542928.db2.gz HTCQIYKEGYYDHO-BBRMVZONSA-N 2 2 348.495 1.457 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001004876244 707542930 /nfs/dbraw/zinc/54/29/30/707542930.db2.gz HTCQIYKEGYYDHO-BBRMVZONSA-N 2 2 348.495 1.457 20 0 EDADLP CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000999915317 707557392 /nfs/dbraw/zinc/55/73/92/707557392.db2.gz JJYPFGASIJTMJF-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000999917093 707559446 /nfs/dbraw/zinc/55/94/46/707559446.db2.gz SIYCZGBLGPCXHP-UHFFFAOYSA-N 2 2 342.447 1.195 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033365419 707659423 /nfs/dbraw/zinc/65/94/23/707659423.db2.gz NOKCIFMOTSSVBR-MOPGFXCFSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033365419 707659425 /nfs/dbraw/zinc/65/94/25/707659425.db2.gz NOKCIFMOTSSVBR-MOPGFXCFSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033365419 707659429 /nfs/dbraw/zinc/65/94/29/707659429.db2.gz NOKCIFMOTSSVBR-MOPGFXCFSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033365419 707659430 /nfs/dbraw/zinc/65/94/30/707659430.db2.gz NOKCIFMOTSSVBR-MOPGFXCFSA-N 2 2 349.519 1.963 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3)C2)C1 ZINC001033358815 707683691 /nfs/dbraw/zinc/68/36/91/707683691.db2.gz QMTKCBHOJSFKHZ-ROUUACIJSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3)C2)C1 ZINC001033358815 707683692 /nfs/dbraw/zinc/68/36/92/707683692.db2.gz QMTKCBHOJSFKHZ-ROUUACIJSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cccnc3)C2)C1 ZINC001033358815 707683695 /nfs/dbraw/zinc/68/36/95/707683695.db2.gz QMTKCBHOJSFKHZ-ROUUACIJSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccnc3)C2)C1 ZINC001033358815 707683697 /nfs/dbraw/zinc/68/36/97/707683697.db2.gz QMTKCBHOJSFKHZ-ROUUACIJSA-N 2 2 346.475 1.224 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001004946439 707717608 /nfs/dbraw/zinc/71/76/08/707717608.db2.gz LVKREXSIJDWVEK-BBRMVZONSA-N 2 2 331.420 1.808 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c3c(nn2C)CCC3)nc[nH+]1 ZINC000921701918 707835757 /nfs/dbraw/zinc/83/57/57/707835757.db2.gz VDSDHICFWNEEQF-ZDUSSCGKSA-N 2 2 341.463 1.499 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426567 707849283 /nfs/dbraw/zinc/84/92/83/707849283.db2.gz ROVPHGMTBVNNIA-HOTGVXAUSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426567 707849284 /nfs/dbraw/zinc/84/92/84/707849284.db2.gz ROVPHGMTBVNNIA-HOTGVXAUSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@@H](c1cnccn1)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033426567 707849287 /nfs/dbraw/zinc/84/92/87/707849287.db2.gz ROVPHGMTBVNNIA-HOTGVXAUSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@@H](c1cnccn1)[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426567 707849290 /nfs/dbraw/zinc/84/92/90/707849290.db2.gz ROVPHGMTBVNNIA-HOTGVXAUSA-N 2 2 345.491 1.802 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033429427 707858272 /nfs/dbraw/zinc/85/82/72/707858272.db2.gz IAFVPADSMIRLAR-RBSFLKMASA-N 2 2 343.431 1.553 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001033429427 707858273 /nfs/dbraw/zinc/85/82/73/707858273.db2.gz IAFVPADSMIRLAR-RBSFLKMASA-N 2 2 343.431 1.553 20 0 EDADLP Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004992725 707873611 /nfs/dbraw/zinc/87/36/11/707873611.db2.gz OLNVQGNXLZJSQC-ZFWWWQNUSA-N 2 2 335.452 1.333 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001004993517 707877148 /nfs/dbraw/zinc/87/71/48/707877148.db2.gz QDVAEWQXKRQUBU-WMLDXEAASA-N 2 2 344.463 1.554 20 0 EDADLP Cc1ccc(OCC[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001033456788 707905188 /nfs/dbraw/zinc/90/51/88/707905188.db2.gz AVCALKMMAJWUCQ-QGZVFWFLSA-N 2 2 342.443 1.872 20 0 EDADLP Cc1ccc(OCC[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001033456788 707905191 /nfs/dbraw/zinc/90/51/91/707905191.db2.gz AVCALKMMAJWUCQ-QGZVFWFLSA-N 2 2 342.443 1.872 20 0 EDADLP CCCC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033473741 707962515 /nfs/dbraw/zinc/96/25/15/707962515.db2.gz OOOSKJBGUFQBGJ-KRWDZBQOSA-N 2 2 337.508 1.964 20 0 EDADLP CCCC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033473741 707962519 /nfs/dbraw/zinc/96/25/19/707962519.db2.gz OOOSKJBGUFQBGJ-KRWDZBQOSA-N 2 2 337.508 1.964 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801685 708084639 /nfs/dbraw/zinc/08/46/39/708084639.db2.gz KFNVWYNJCSGNDI-ULQDDVLXSA-N 2 2 343.475 1.699 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801685 708084640 /nfs/dbraw/zinc/08/46/40/708084640.db2.gz KFNVWYNJCSGNDI-ULQDDVLXSA-N 2 2 343.475 1.699 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033589713 708285898 /nfs/dbraw/zinc/28/58/98/708285898.db2.gz NDRMXSPHLXELDV-AWEZNQCLSA-N 2 2 331.420 1.300 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033589713 708285903 /nfs/dbraw/zinc/28/59/03/708285903.db2.gz NDRMXSPHLXELDV-AWEZNQCLSA-N 2 2 331.420 1.300 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001033663698 708444918 /nfs/dbraw/zinc/44/49/18/708444918.db2.gz YDOUGMQVEYWMED-CABCVRRESA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001033663698 708444921 /nfs/dbraw/zinc/44/49/21/708444921.db2.gz YDOUGMQVEYWMED-CABCVRRESA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC001033663698 708444923 /nfs/dbraw/zinc/44/49/23/708444923.db2.gz YDOUGMQVEYWMED-CABCVRRESA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC001033663698 708444924 /nfs/dbraw/zinc/44/49/24/708444924.db2.gz YDOUGMQVEYWMED-CABCVRRESA-N 2 2 337.414 1.949 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033665798 708449364 /nfs/dbraw/zinc/44/93/64/708449364.db2.gz RIUPHIQRDAANGZ-MRXNPFEDSA-N 2 2 331.395 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033665798 708449366 /nfs/dbraw/zinc/44/93/66/708449366.db2.gz RIUPHIQRDAANGZ-MRXNPFEDSA-N 2 2 331.395 1.459 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033685415 708499305 /nfs/dbraw/zinc/49/93/05/708499305.db2.gz LHVZQIQTMYZGEC-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033685415 708499307 /nfs/dbraw/zinc/49/93/07/708499307.db2.gz LHVZQIQTMYZGEC-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033685415 708499311 /nfs/dbraw/zinc/49/93/11/708499311.db2.gz LHVZQIQTMYZGEC-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033685415 708499315 /nfs/dbraw/zinc/49/93/15/708499315.db2.gz LHVZQIQTMYZGEC-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CN(C)c1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033707811 708540109 /nfs/dbraw/zinc/54/01/09/708540109.db2.gz VBWNCJYFXPGYIX-KRWDZBQOSA-N 2 2 341.459 1.682 20 0 EDADLP CN(C)c1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033707811 708540111 /nfs/dbraw/zinc/54/01/11/708540111.db2.gz VBWNCJYFXPGYIX-KRWDZBQOSA-N 2 2 341.459 1.682 20 0 EDADLP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033707812 708540462 /nfs/dbraw/zinc/54/04/62/708540462.db2.gz VBWNCJYFXPGYIX-QGZVFWFLSA-N 2 2 341.459 1.682 20 0 EDADLP CN(C)c1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033707812 708540465 /nfs/dbraw/zinc/54/04/65/708540465.db2.gz VBWNCJYFXPGYIX-QGZVFWFLSA-N 2 2 341.459 1.682 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033774856 708674207 /nfs/dbraw/zinc/67/42/07/708674207.db2.gz KEMFRIYSAZUHOM-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033774856 708674209 /nfs/dbraw/zinc/67/42/09/708674209.db2.gz KEMFRIYSAZUHOM-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033774856 708674211 /nfs/dbraw/zinc/67/42/11/708674211.db2.gz KEMFRIYSAZUHOM-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033774856 708674212 /nfs/dbraw/zinc/67/42/12/708674212.db2.gz KEMFRIYSAZUHOM-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC001033830511 708852262 /nfs/dbraw/zinc/85/22/62/708852262.db2.gz JPRUFHXQPDYWMH-GOEBONIOSA-N 2 2 349.504 1.303 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC001033830511 708852265 /nfs/dbraw/zinc/85/22/65/708852265.db2.gz JPRUFHXQPDYWMH-GOEBONIOSA-N 2 2 349.504 1.303 20 0 EDADLP Cc1nnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001005395667 708876805 /nfs/dbraw/zinc/87/68/05/708876805.db2.gz BJSSBBIYHWFJJS-MRXNPFEDSA-N 2 2 347.463 1.143 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033827500 708877270 /nfs/dbraw/zinc/87/72/70/708877270.db2.gz FMFHISPSFNANAB-DOTOQJQBSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033827500 708877272 /nfs/dbraw/zinc/87/72/72/708877272.db2.gz FMFHISPSFNANAB-DOTOQJQBSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033827500 708877277 /nfs/dbraw/zinc/87/72/77/708877277.db2.gz FMFHISPSFNANAB-DOTOQJQBSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033827500 708877279 /nfs/dbraw/zinc/87/72/79/708877279.db2.gz FMFHISPSFNANAB-DOTOQJQBSA-N 2 2 348.495 1.111 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033864964 708913749 /nfs/dbraw/zinc/91/37/49/708913749.db2.gz ONASODFQYPHXEY-BZUAXINKSA-N 2 2 342.447 1.333 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033864964 708913751 /nfs/dbraw/zinc/91/37/51/708913751.db2.gz ONASODFQYPHXEY-BZUAXINKSA-N 2 2 342.447 1.333 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033877367 708946584 /nfs/dbraw/zinc/94/65/84/708946584.db2.gz BOXIIWJHMZGWOP-HUUCEWRRSA-N 2 2 334.464 1.128 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033877367 708946585 /nfs/dbraw/zinc/94/65/85/708946585.db2.gz BOXIIWJHMZGWOP-HUUCEWRRSA-N 2 2 334.464 1.128 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033877367 708946586 /nfs/dbraw/zinc/94/65/86/708946586.db2.gz BOXIIWJHMZGWOP-HUUCEWRRSA-N 2 2 334.464 1.128 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033877367 708946587 /nfs/dbraw/zinc/94/65/87/708946587.db2.gz BOXIIWJHMZGWOP-HUUCEWRRSA-N 2 2 334.464 1.128 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC001002443636 708963835 /nfs/dbraw/zinc/96/38/35/708963835.db2.gz FVZOJZYRHFSODS-HNNXBMFYSA-N 2 2 336.867 1.910 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC001002443636 708963837 /nfs/dbraw/zinc/96/38/37/708963837.db2.gz FVZOJZYRHFSODS-HNNXBMFYSA-N 2 2 336.867 1.910 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC001002482046 709015692 /nfs/dbraw/zinc/01/56/92/709015692.db2.gz VYSLWSQLGLIUMH-BXUZGUMPSA-N 2 2 337.493 1.582 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)s1 ZINC001002482046 709015696 /nfs/dbraw/zinc/01/56/96/709015696.db2.gz VYSLWSQLGLIUMH-BXUZGUMPSA-N 2 2 337.493 1.582 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005475744 709112634 /nfs/dbraw/zinc/11/26/34/709112634.db2.gz KONBEDBEKHHQPW-KRWDZBQOSA-N 2 2 347.507 1.717 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005475744 709112635 /nfs/dbraw/zinc/11/26/35/709112635.db2.gz KONBEDBEKHHQPW-KRWDZBQOSA-N 2 2 347.507 1.717 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002833095 709443656 /nfs/dbraw/zinc/44/36/56/709443656.db2.gz OLLVXLGLAUPACI-KRWDZBQOSA-N 2 2 345.491 1.325 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832791 709443768 /nfs/dbraw/zinc/44/37/68/709443768.db2.gz MQVRQELUVVIJMB-PBHICJAKSA-N 2 2 343.475 1.460 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375483 709870242 /nfs/dbraw/zinc/87/02/42/709870242.db2.gz CBLZEGXVLMTHRI-CJNGLKHVSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1nnc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375483 709870245 /nfs/dbraw/zinc/87/02/45/709870245.db2.gz CBLZEGXVLMTHRI-CJNGLKHVSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC001034384053 709901281 /nfs/dbraw/zinc/90/12/81/709901281.db2.gz CGNXQGGPDNDKGU-MRXNPFEDSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC001034384053 709901283 /nfs/dbraw/zinc/90/12/83/709901283.db2.gz CGNXQGGPDNDKGU-MRXNPFEDSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC001034387140 709916303 /nfs/dbraw/zinc/91/63/03/709916303.db2.gz WEQKGYVGTITPJJ-QGZVFWFLSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC001034387140 709916304 /nfs/dbraw/zinc/91/63/04/709916304.db2.gz WEQKGYVGTITPJJ-QGZVFWFLSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1ncc(C[NH+]2CCC(NC(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)o1 ZINC001003180176 710096361 /nfs/dbraw/zinc/09/63/61/710096361.db2.gz OLOLVRJTGWMQIL-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001003180807 710097022 /nfs/dbraw/zinc/09/70/22/710097022.db2.gz VXTTWHWKMKBJTN-HOTGVXAUSA-N 2 2 346.475 1.453 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034481821 710097233 /nfs/dbraw/zinc/09/72/33/710097233.db2.gz WUBNDAYJUMKUNI-HZPDHXFCSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034481821 710097237 /nfs/dbraw/zinc/09/72/37/710097237.db2.gz WUBNDAYJUMKUNI-HZPDHXFCSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034481821 710097241 /nfs/dbraw/zinc/09/72/41/710097241.db2.gz WUBNDAYJUMKUNI-HZPDHXFCSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034481821 710097246 /nfs/dbraw/zinc/09/72/46/710097246.db2.gz WUBNDAYJUMKUNI-HZPDHXFCSA-N 2 2 338.496 1.097 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001003193567 710128558 /nfs/dbraw/zinc/12/85/58/710128558.db2.gz NMYZAPBUPGURSE-CABCVRRESA-N 2 2 332.448 1.063 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001003229913 710150831 /nfs/dbraw/zinc/15/08/31/710150831.db2.gz KSIQNYZGMMCVQM-KRWDZBQOSA-N 2 2 334.464 1.876 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001003229913 710150833 /nfs/dbraw/zinc/15/08/33/710150833.db2.gz KSIQNYZGMMCVQM-KRWDZBQOSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034526968 710179872 /nfs/dbraw/zinc/17/98/72/710179872.db2.gz BHPIFQSVJIFZOC-JKSUJKDBSA-N 2 2 331.464 1.604 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034526968 710179875 /nfs/dbraw/zinc/17/98/75/710179875.db2.gz BHPIFQSVJIFZOC-JKSUJKDBSA-N 2 2 331.464 1.604 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034529823 710185366 /nfs/dbraw/zinc/18/53/66/710185366.db2.gz PEWQHBLNSBTTQB-OAHLLOKOSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034529823 710185369 /nfs/dbraw/zinc/18/53/69/710185369.db2.gz PEWQHBLNSBTTQB-OAHLLOKOSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546505 710220587 /nfs/dbraw/zinc/22/05/87/710220587.db2.gz FRNAFSPDXXKMBF-OAHLLOKOSA-N 2 2 347.488 1.861 20 0 EDADLP Cc1ncsc1CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546505 710220589 /nfs/dbraw/zinc/22/05/89/710220589.db2.gz FRNAFSPDXXKMBF-OAHLLOKOSA-N 2 2 347.488 1.861 20 0 EDADLP O=C(NC1CC[NH+](CCCO)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001003388908 710308688 /nfs/dbraw/zinc/30/86/88/710308688.db2.gz KBCZKYGCYQNUOR-UHFFFAOYSA-N 2 2 328.416 1.449 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H]([NH2+]C[C@H](C)O)CC3)ccn12 ZINC001034645796 710322098 /nfs/dbraw/zinc/32/20/98/710322098.db2.gz ZSMVULSPGHMGLI-BPUTZDHNSA-N 2 2 330.432 1.654 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034665689 710334609 /nfs/dbraw/zinc/33/46/09/710334609.db2.gz PVUSKLFSISICLV-KLHDSHLOSA-N 2 2 342.447 1.427 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034665689 710334613 /nfs/dbraw/zinc/33/46/13/710334613.db2.gz PVUSKLFSISICLV-KLHDSHLOSA-N 2 2 342.447 1.427 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC001003423209 710338800 /nfs/dbraw/zinc/33/88/00/710338800.db2.gz AZWLLYKDMFZDMG-CYBMUJFWSA-N 2 2 349.479 1.894 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001003652476 710470029 /nfs/dbraw/zinc/47/00/29/710470029.db2.gz NYFMTZLIPSYEOI-USXIJHARSA-N 2 2 346.475 1.531 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776664 710545608 /nfs/dbraw/zinc/54/56/08/710545608.db2.gz YYUOGUHNBWNNIK-DLBZAZTESA-N 2 2 345.491 1.518 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776664 710545610 /nfs/dbraw/zinc/54/56/10/710545610.db2.gz YYUOGUHNBWNNIK-DLBZAZTESA-N 2 2 345.491 1.518 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nn1C ZINC001005591245 710647998 /nfs/dbraw/zinc/64/79/98/710647998.db2.gz HAQBNWCCESQYKI-SFHVURJKSA-N 2 2 347.507 1.636 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)nn1C ZINC001005591245 710648000 /nfs/dbraw/zinc/64/80/00/710648000.db2.gz HAQBNWCCESQYKI-SFHVURJKSA-N 2 2 347.507 1.636 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001003842458 710678698 /nfs/dbraw/zinc/67/86/98/710678698.db2.gz ZZXZQIGXTFJVRX-UHFFFAOYSA-N 2 2 335.452 1.191 20 0 EDADLP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1)OC ZINC001005605914 710686336 /nfs/dbraw/zinc/68/63/36/710686336.db2.gz KYDZJMQDXCBLGY-DOTOQJQBSA-N 2 2 348.491 1.793 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001034684266 710703706 /nfs/dbraw/zinc/70/37/06/710703706.db2.gz VMHWYQLOSSKBCO-QAETUUGQSA-N 2 2 346.475 1.499 20 0 EDADLP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1)OC ZINC001005616032 710710815 /nfs/dbraw/zinc/71/08/15/710710815.db2.gz GFYHCZVKMRGSBK-QAPCUYQASA-N 2 2 348.491 1.793 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)cc[nH+]1 ZINC001061783365 710764918 /nfs/dbraw/zinc/76/49/18/710764918.db2.gz YFISWINARJWZLO-HNNXBMFYSA-N 2 2 329.448 1.356 20 0 EDADLP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034743880 710946726 /nfs/dbraw/zinc/94/67/26/710946726.db2.gz DUFRGBVPJPCORF-HDJSIYSDSA-N 2 2 331.420 1.720 20 0 EDADLP COc1ccc(F)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960055 710967071 /nfs/dbraw/zinc/96/70/71/710967071.db2.gz MASLQKRXAZKGIQ-IRXDYDNUSA-N 2 2 349.450 1.961 20 0 EDADLP COc1ccc(F)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960055 710967073 /nfs/dbraw/zinc/96/70/73/710967073.db2.gz MASLQKRXAZKGIQ-IRXDYDNUSA-N 2 2 349.450 1.961 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032960055 710967074 /nfs/dbraw/zinc/96/70/74/710967074.db2.gz MASLQKRXAZKGIQ-IRXDYDNUSA-N 2 2 349.450 1.961 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032960055 710967076 /nfs/dbraw/zinc/96/70/76/710967076.db2.gz MASLQKRXAZKGIQ-IRXDYDNUSA-N 2 2 349.450 1.961 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001034763760 711036400 /nfs/dbraw/zinc/03/64/00/711036400.db2.gz MGEORLRGAWSUFX-RBSFLKMASA-N 2 2 342.447 1.829 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001034764309 711038752 /nfs/dbraw/zinc/03/87/52/711038752.db2.gz RIZXRZZNSXMZIB-WKILWMFISA-N 2 2 344.463 1.483 20 0 EDADLP CCOc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001032968542 711043457 /nfs/dbraw/zinc/04/34/57/711043457.db2.gz RGSKDNQGVPZWDV-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP CCOc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001032968542 711043461 /nfs/dbraw/zinc/04/34/61/711043461.db2.gz RGSKDNQGVPZWDV-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP CCOc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001032968542 711043465 /nfs/dbraw/zinc/04/34/65/711043465.db2.gz RGSKDNQGVPZWDV-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP CCOc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001032968542 711043471 /nfs/dbraw/zinc/04/34/71/711043471.db2.gz RGSKDNQGVPZWDV-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1)c1cnccn1 ZINC001034778438 711080264 /nfs/dbraw/zinc/08/02/64/711080264.db2.gz SRNQBTQFOJDSBH-KKUMJFAQSA-N 2 2 342.447 1.531 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001034787095 711092776 /nfs/dbraw/zinc/09/27/76/711092776.db2.gz XDBMESKUMZSQMJ-JYJNAYRXSA-N 2 2 334.464 1.847 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)cn1 ZINC001003977587 711149830 /nfs/dbraw/zinc/14/98/30/711149830.db2.gz WCWCTFFKDURSGU-AWEZNQCLSA-N 2 2 342.447 1.403 20 0 EDADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001034890313 711346123 /nfs/dbraw/zinc/34/61/23/711346123.db2.gz AQLIFPZAEZOEIX-QZTJIDSGSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001034890313 711346126 /nfs/dbraw/zinc/34/61/26/711346126.db2.gz AQLIFPZAEZOEIX-QZTJIDSGSA-N 2 2 349.450 1.545 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]Cc1cncc(F)c1 ZINC001034956093 711425146 /nfs/dbraw/zinc/42/51/46/711425146.db2.gz NCGCAPUKEWJVLC-MRXNPFEDSA-N 2 2 331.395 1.657 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]Cc1cncc(F)c1 ZINC001034956093 711425150 /nfs/dbraw/zinc/42/51/50/711425150.db2.gz NCGCAPUKEWJVLC-MRXNPFEDSA-N 2 2 331.395 1.657 20 0 EDADLP CC(C)c1cnc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001004147567 711559787 /nfs/dbraw/zinc/55/97/87/711559787.db2.gz LILMWZGTKOXMFH-UHFFFAOYSA-N 2 2 334.464 1.974 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC001004160302 711586150 /nfs/dbraw/zinc/58/61/50/711586150.db2.gz LLONITACIPMXDM-UHFFFAOYSA-N 2 2 328.420 1.071 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004474457 711851102 /nfs/dbraw/zinc/85/11/02/711851102.db2.gz ONYFAUFNRQTBAG-SJORKVTESA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004474457 711851104 /nfs/dbraw/zinc/85/11/04/711851104.db2.gz ONYFAUFNRQTBAG-SJORKVTESA-N 2 2 346.475 1.141 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652123 712202986 /nfs/dbraw/zinc/20/29/86/712202986.db2.gz MLQUMFVZBRTSBF-BBWFWOEESA-N 2 2 346.475 1.262 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652123 712202989 /nfs/dbraw/zinc/20/29/89/712202989.db2.gz MLQUMFVZBRTSBF-BBWFWOEESA-N 2 2 346.475 1.262 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946652509 712205171 /nfs/dbraw/zinc/20/51/71/712205171.db2.gz WAFYRIBHCFYQBC-OWCLPIDISA-N 2 2 334.439 1.585 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946652509 712205174 /nfs/dbraw/zinc/20/51/74/712205174.db2.gz WAFYRIBHCFYQBC-OWCLPIDISA-N 2 2 334.439 1.585 20 0 EDADLP COc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(O)c1 ZINC000051464047 214095535 /nfs/dbraw/zinc/09/55/35/214095535.db2.gz XBVFIRVQRJONEQ-UHFFFAOYSA-N 2 2 347.459 1.689 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)sc2n1 ZINC000173949670 231077235 /nfs/dbraw/zinc/07/72/35/231077235.db2.gz DBVLHBCMNRXUGN-ZDUSSCGKSA-N 2 2 335.477 1.766 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)sc2n1 ZINC000173949670 231077237 /nfs/dbraw/zinc/07/72/37/231077237.db2.gz DBVLHBCMNRXUGN-ZDUSSCGKSA-N 2 2 335.477 1.766 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)sc2n1 ZINC000173949670 231077240 /nfs/dbraw/zinc/07/72/40/231077240.db2.gz DBVLHBCMNRXUGN-ZDUSSCGKSA-N 2 2 335.477 1.766 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)sc2n1 ZINC000173949670 231077243 /nfs/dbraw/zinc/07/72/43/231077243.db2.gz DBVLHBCMNRXUGN-ZDUSSCGKSA-N 2 2 335.477 1.766 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)cc[nH+]1 ZINC000274252048 282186613 /nfs/dbraw/zinc/18/66/13/282186613.db2.gz SXSDFVRPWBNUJH-CJNGLKHVSA-N 2 2 344.463 1.099 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)cc[nH+]1 ZINC000274252048 282186614 /nfs/dbraw/zinc/18/66/14/282186614.db2.gz SXSDFVRPWBNUJH-CJNGLKHVSA-N 2 2 344.463 1.099 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131380877 282203569 /nfs/dbraw/zinc/20/35/69/282203569.db2.gz HKWNQKHELDSQQC-KRWDZBQOSA-N 3 2 333.480 1.386 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131380877 282203570 /nfs/dbraw/zinc/20/35/70/282203570.db2.gz HKWNQKHELDSQQC-KRWDZBQOSA-N 3 2 333.480 1.386 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cn3ccccc3n2)C1=O ZINC000558677741 306243479 /nfs/dbraw/zinc/24/34/79/306243479.db2.gz FPVJZDVQQMEBJK-OAHLLOKOSA-N 2 2 338.415 1.349 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[NH+](CC(C)C)CC1)[NH+]1CCOCC1 ZINC000359068338 282221155 /nfs/dbraw/zinc/22/11/55/282221155.db2.gz GFQPEXUJSOTTAA-SFHVURJKSA-N 2 2 339.524 1.924 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CCC[NH2+]C1 ZINC000226439509 282357375 /nfs/dbraw/zinc/35/73/75/282357375.db2.gz PBMJAXZRWSCBAV-LLVKDONJSA-N 2 2 341.253 1.714 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CCC[NH2+]C1 ZINC000226439509 282357376 /nfs/dbraw/zinc/35/73/76/282357376.db2.gz PBMJAXZRWSCBAV-LLVKDONJSA-N 2 2 341.253 1.714 20 0 EDADLP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093188914 539415677 /nfs/dbraw/zinc/41/56/77/539415677.db2.gz DERMWIIJMXPMSB-KRWDZBQOSA-N 2 2 330.476 1.491 20 0 EDADLP CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093188914 539415679 /nfs/dbraw/zinc/41/56/79/539415679.db2.gz DERMWIIJMXPMSB-KRWDZBQOSA-N 2 2 330.476 1.491 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c[nH+]1 ZINC000560566849 306274925 /nfs/dbraw/zinc/27/49/25/306274925.db2.gz SVNNLWRSMPBZIM-QGZVFWFLSA-N 2 2 332.448 1.705 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000352896280 299155619 /nfs/dbraw/zinc/15/56/19/299155619.db2.gz ABXPPQHHWKFCGF-BQFCYCMXSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000352896280 299155621 /nfs/dbraw/zinc/15/56/21/299155621.db2.gz ABXPPQHHWKFCGF-BQFCYCMXSA-N 2 2 348.491 1.698 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@H]1OC ZINC000561553705 306289392 /nfs/dbraw/zinc/28/93/92/306289392.db2.gz SELXFZYAWZLLAI-WQCNXYOZSA-N 2 2 347.459 1.796 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1C ZINC000562383212 306297169 /nfs/dbraw/zinc/29/71/69/306297169.db2.gz OMDJHLOYRQWXTG-QGZVFWFLSA-N 2 2 344.459 1.897 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000562438687 306298468 /nfs/dbraw/zinc/29/84/68/306298468.db2.gz FKZYCNFILWSUMS-UHFFFAOYSA-N 2 2 336.461 1.703 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105216937 282797718 /nfs/dbraw/zinc/79/77/18/282797718.db2.gz XXFZNHDRNPSSOH-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000346143795 539848195 /nfs/dbraw/zinc/84/81/95/539848195.db2.gz XEUPVLXYUIHAAU-MRXNPFEDSA-N 2 2 333.476 1.979 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353521344 539934180 /nfs/dbraw/zinc/93/41/80/539934180.db2.gz RFOVPBMDFIQMDK-KSZLIROESA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353521344 539934184 /nfs/dbraw/zinc/93/41/84/539934184.db2.gz RFOVPBMDFIQMDK-KSZLIROESA-N 3 2 336.524 1.392 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCCOCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000562792767 306309183 /nfs/dbraw/zinc/30/91/83/306309183.db2.gz NFZVKVQLPKVIDO-SFHVURJKSA-N 2 2 348.491 1.310 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCCOCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000562792767 306309184 /nfs/dbraw/zinc/30/91/84/306309184.db2.gz NFZVKVQLPKVIDO-SFHVURJKSA-N 2 2 348.491 1.310 20 0 EDADLP C[NH+](C)CCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000181766723 234315374 /nfs/dbraw/zinc/31/53/74/234315374.db2.gz KDXODKCDZLQJOB-UHFFFAOYSA-N 2 2 342.443 1.835 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000362174213 540004873 /nfs/dbraw/zinc/00/48/73/540004873.db2.gz VFLSAQYXGYYZOA-XSLAGTTESA-N 2 2 327.513 1.120 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000362174213 540004862 /nfs/dbraw/zinc/00/48/62/540004862.db2.gz VFLSAQYXGYYZOA-XSLAGTTESA-N 2 2 327.513 1.120 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000362174213 540004865 /nfs/dbraw/zinc/00/48/65/540004865.db2.gz VFLSAQYXGYYZOA-XSLAGTTESA-N 2 2 327.513 1.120 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000362174213 540004869 /nfs/dbraw/zinc/00/48/69/540004869.db2.gz VFLSAQYXGYYZOA-XSLAGTTESA-N 2 2 327.513 1.120 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000563014677 306315962 /nfs/dbraw/zinc/31/59/62/306315962.db2.gz GJKJCBIWNFFQSP-INIZCTEOSA-N 2 2 331.464 1.786 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000563014677 306315963 /nfs/dbraw/zinc/31/59/63/306315963.db2.gz GJKJCBIWNFFQSP-INIZCTEOSA-N 2 2 331.464 1.786 20 0 EDADLP COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000563013909 306316120 /nfs/dbraw/zinc/31/61/20/306316120.db2.gz OOQMWAMVZWVUIA-KBPBESRZSA-N 2 2 347.415 1.245 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000563036116 306316314 /nfs/dbraw/zinc/31/63/14/306316314.db2.gz DJELRIBADAXBFT-CABCVRRESA-N 2 2 331.464 1.555 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224216 540075618 /nfs/dbraw/zinc/07/56/18/540075618.db2.gz OMIWVHFJTGBXCD-WMZOPIPTSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224216 540075620 /nfs/dbraw/zinc/07/56/20/540075620.db2.gz OMIWVHFJTGBXCD-WMZOPIPTSA-N 2 2 342.443 1.342 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCc1cn(C)c[nH+]1 ZINC000563361375 306329955 /nfs/dbraw/zinc/32/99/55/306329955.db2.gz GQAMBNOZYZQEPG-NSHDSACASA-N 2 2 339.237 1.565 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000563364145 306330225 /nfs/dbraw/zinc/33/02/25/306330225.db2.gz LJTNNKQJNKEJPG-RDJZCZTQSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000563364145 306330226 /nfs/dbraw/zinc/33/02/26/306330226.db2.gz LJTNNKQJNKEJPG-RDJZCZTQSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000563364145 306330227 /nfs/dbraw/zinc/33/02/27/306330227.db2.gz LJTNNKQJNKEJPG-RDJZCZTQSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000563364145 306330228 /nfs/dbraw/zinc/33/02/28/306330228.db2.gz LJTNNKQJNKEJPG-RDJZCZTQSA-N 2 2 342.867 1.732 20 0 EDADLP COc1ccc(OC(F)F)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000563433208 306332888 /nfs/dbraw/zinc/33/28/88/306332888.db2.gz SCMMJDWALCMUGT-AAEUAGOBSA-N 2 2 341.358 1.040 20 0 EDADLP COc1ccc(OC(F)F)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000563433208 306332889 /nfs/dbraw/zinc/33/28/89/306332889.db2.gz SCMMJDWALCMUGT-AAEUAGOBSA-N 2 2 341.358 1.040 20 0 EDADLP O[C@H](CNc1cc(NC2CC2)[nH+]cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000413052329 304052625 /nfs/dbraw/zinc/05/26/25/304052625.db2.gz MBIBPIUMCJMUDQ-QGZVFWFLSA-N 2 2 339.443 1.882 20 0 EDADLP O[C@H](CNc1cc(NC2CC2)[nH+]cn1)C[N@H+]1CCc2ccccc2C1 ZINC000413052329 304052628 /nfs/dbraw/zinc/05/26/28/304052628.db2.gz MBIBPIUMCJMUDQ-QGZVFWFLSA-N 2 2 339.443 1.882 20 0 EDADLP O[C@H](CNc1cc(NC2CC2)nc[nH+]1)C[N@@H+]1CCc2ccccc2C1 ZINC000413052329 304052630 /nfs/dbraw/zinc/05/26/30/304052630.db2.gz MBIBPIUMCJMUDQ-QGZVFWFLSA-N 2 2 339.443 1.882 20 0 EDADLP O[C@H](CNc1cc(NC2CC2)nc[nH+]1)C[N@H+]1CCc2ccccc2C1 ZINC000413052329 304052634 /nfs/dbraw/zinc/05/26/34/304052634.db2.gz MBIBPIUMCJMUDQ-QGZVFWFLSA-N 2 2 339.443 1.882 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000055673803 138147777 /nfs/dbraw/zinc/14/77/77/138147777.db2.gz JMWRMLFEXUQUGG-UHFFFAOYSA-N 2 2 345.491 1.186 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000066596320 138180260 /nfs/dbraw/zinc/18/02/60/138180260.db2.gz WVUDOQBEKLIOGK-MRXNPFEDSA-N 2 2 326.485 1.272 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000066596320 138180262 /nfs/dbraw/zinc/18/02/62/138180262.db2.gz WVUDOQBEKLIOGK-MRXNPFEDSA-N 2 2 326.485 1.272 20 0 EDADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856235 138201286 /nfs/dbraw/zinc/20/12/86/138201286.db2.gz RLYBCRPWTNFZIU-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856235 138201288 /nfs/dbraw/zinc/20/12/88/138201288.db2.gz RLYBCRPWTNFZIU-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)Oc1cccc([C@@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000563559042 306338947 /nfs/dbraw/zinc/33/89/47/306338947.db2.gz UNPSGBGTJGFLIT-ZBFHGGJFSA-N 2 2 334.464 1.819 20 0 EDADLP CC(C)Oc1cccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000563559042 306338948 /nfs/dbraw/zinc/33/89/48/306338948.db2.gz UNPSGBGTJGFLIT-ZBFHGGJFSA-N 2 2 334.464 1.819 20 0 EDADLP CCNC(=O)COc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC000091671998 138284188 /nfs/dbraw/zinc/28/41/88/138284188.db2.gz SGOKKEURTOCZIR-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000563580754 306339569 /nfs/dbraw/zinc/33/95/69/306339569.db2.gz LPBZSLFDLJZOCB-FGTMMUONSA-N 2 2 330.476 1.997 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000563580754 306339570 /nfs/dbraw/zinc/33/95/70/306339570.db2.gz LPBZSLFDLJZOCB-FGTMMUONSA-N 2 2 330.476 1.997 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC000093159391 138292357 /nfs/dbraw/zinc/29/23/57/138292357.db2.gz UOCGDIQVDSOJHK-UHFFFAOYSA-N 2 2 333.451 1.854 20 0 EDADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000121112395 138317271 /nfs/dbraw/zinc/31/72/71/138317271.db2.gz RARPHFIMMKFFTR-HNNXBMFYSA-N 2 2 339.827 1.100 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000123857368 138321813 /nfs/dbraw/zinc/32/18/13/138321813.db2.gz UJQGDFMJWGJZFB-AWEZNQCLSA-N 2 2 330.476 1.979 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000129931167 138339100 /nfs/dbraw/zinc/33/91/00/138339100.db2.gz WGOHKFJETZAFIF-QGZVFWFLSA-N 2 2 347.507 1.483 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000129931167 138339101 /nfs/dbraw/zinc/33/91/01/138339101.db2.gz WGOHKFJETZAFIF-QGZVFWFLSA-N 2 2 347.507 1.483 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)[C@H](C)O1 ZINC000446647923 305268474 /nfs/dbraw/zinc/26/84/74/305268474.db2.gz JISQYGAZWXNTEN-ILXRZTDVSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000186947733 236074810 /nfs/dbraw/zinc/07/48/10/236074810.db2.gz QEFCNMHXRZSMJB-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000186947733 236074812 /nfs/dbraw/zinc/07/48/12/236074812.db2.gz QEFCNMHXRZSMJB-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000563947003 306352964 /nfs/dbraw/zinc/35/29/64/306352964.db2.gz JQXXQYFVTGEUBC-AWEZNQCLSA-N 2 2 339.390 1.219 20 0 EDADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181024302 138763822 /nfs/dbraw/zinc/76/38/22/138763822.db2.gz ICLWPDHFEGNCIT-ZACQAIPSSA-N 2 2 337.508 1.724 20 0 EDADLP CC1CC[NH+](CCCC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000564722357 306363646 /nfs/dbraw/zinc/36/36/46/306363646.db2.gz KWTPISDPNJTWAE-FHWLQOOXSA-N 3 2 341.540 1.558 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccccc2Cl)C[C@H](C)O1 ZINC000564848424 306367304 /nfs/dbraw/zinc/36/73/04/306367304.db2.gz XBPUQJGLEXWSCI-IJEWVQPXSA-N 2 2 326.868 1.942 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccccc2Cl)C[C@H](C)O1 ZINC000564848424 306367305 /nfs/dbraw/zinc/36/73/05/306367305.db2.gz XBPUQJGLEXWSCI-IJEWVQPXSA-N 2 2 326.868 1.942 20 0 EDADLP COc1ccccc1CN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000565157630 306376484 /nfs/dbraw/zinc/37/64/84/306376484.db2.gz QFXXUBLGTPJRRF-ZBFHGGJFSA-N 2 2 345.443 1.254 20 0 EDADLP COc1ccccc1CN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000565157630 306376485 /nfs/dbraw/zinc/37/64/85/306376485.db2.gz QFXXUBLGTPJRRF-ZBFHGGJFSA-N 2 2 345.443 1.254 20 0 EDADLP COc1c(N)[nH+]cnc1N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000565223432 306379307 /nfs/dbraw/zinc/37/93/07/306379307.db2.gz ZFJVIRDEEJQPKO-AWEZNQCLSA-N 2 2 342.447 1.690 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000565293428 306380762 /nfs/dbraw/zinc/38/07/62/306380762.db2.gz AHUINZBAKYNDCV-LZWOXQAQSA-N 2 2 347.463 1.246 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000565588132 306387313 /nfs/dbraw/zinc/38/73/13/306387313.db2.gz ZLCNZHMRCJBXIJ-QAPCUYQASA-N 2 2 346.475 1.316 20 0 EDADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000132126297 223303819 /nfs/dbraw/zinc/30/38/19/223303819.db2.gz SANGTSGRQVZNBZ-GOSISDBHSA-N 2 2 329.444 1.194 20 0 EDADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000132126297 223303821 /nfs/dbraw/zinc/30/38/21/223303821.db2.gz SANGTSGRQVZNBZ-GOSISDBHSA-N 2 2 329.444 1.194 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000565827745 306392555 /nfs/dbraw/zinc/39/25/55/306392555.db2.gz FRVFBESKQHSBML-LSDHHAIUSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C)c1[nH+]cc(CNCC2([NH+](C)C)Cc3ccccc3C2)n1C ZINC000414358610 304111458 /nfs/dbraw/zinc/11/14/58/304111458.db2.gz MGTURVUSQXRBMZ-UHFFFAOYSA-N 2 2 327.476 1.675 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC[NH2+]C(C)(C)C)CC2)C1 ZINC000414703539 304130191 /nfs/dbraw/zinc/13/01/91/304130191.db2.gz VPLKVWHNIOJALS-SJORKVTESA-N 2 2 338.540 1.687 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000566733712 306426809 /nfs/dbraw/zinc/42/68/09/306426809.db2.gz HCZQLEVQISAXJH-HLIPFELVSA-N 3 2 349.519 1.350 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000195142688 139007695 /nfs/dbraw/zinc/00/76/95/139007695.db2.gz NUTYBPPSSBVIHN-QGZVFWFLSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000195166662 139008481 /nfs/dbraw/zinc/00/84/81/139008481.db2.gz WOMAZPJKVFPNMC-OAHLLOKOSA-N 2 2 347.459 1.348 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000237311292 139047495 /nfs/dbraw/zinc/04/74/95/139047495.db2.gz PLBDGXKEIJFCOC-KXBFYZLASA-N 2 2 331.460 1.900 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000237276955 139046252 /nfs/dbraw/zinc/04/62/52/139046252.db2.gz LCDIGMBUPXNSHE-MRXNPFEDSA-N 2 2 337.489 1.215 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NCCOc1cccc(F)c1 ZINC000111244346 220122115 /nfs/dbraw/zinc/12/21/15/220122115.db2.gz DFWDUEJZAJYSRL-UHFFFAOYSA-N 2 2 346.406 1.854 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237716402 139058472 /nfs/dbraw/zinc/05/84/72/139058472.db2.gz DRKLIJDDYRYPPV-INIZCTEOSA-N 2 2 349.500 1.861 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237959006 139065074 /nfs/dbraw/zinc/06/50/74/139065074.db2.gz UEZUJVGBZSESII-IBGZPJMESA-N 2 2 345.487 1.783 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237959006 139065075 /nfs/dbraw/zinc/06/50/75/139065075.db2.gz UEZUJVGBZSESII-IBGZPJMESA-N 2 2 345.487 1.783 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081444288 217398887 /nfs/dbraw/zinc/39/88/87/217398887.db2.gz UNNGQMQLLAVRKC-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081444288 217398889 /nfs/dbraw/zinc/39/88/89/217398889.db2.gz UNNGQMQLLAVRKC-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081444288 217398892 /nfs/dbraw/zinc/39/88/92/217398892.db2.gz UNNGQMQLLAVRKC-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081444288 217398894 /nfs/dbraw/zinc/39/88/94/217398894.db2.gz UNNGQMQLLAVRKC-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1c(F)cccc1F ZINC000245453520 139075392 /nfs/dbraw/zinc/07/53/92/139075392.db2.gz FTVANNWDSOCNRB-ZIAGYGMSSA-N 2 2 327.375 1.014 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1c(F)cccc1F ZINC000245453520 139075393 /nfs/dbraw/zinc/07/53/93/139075393.db2.gz FTVANNWDSOCNRB-ZIAGYGMSSA-N 2 2 327.375 1.014 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)sc2n1 ZINC000245574302 139079751 /nfs/dbraw/zinc/07/97/51/139079751.db2.gz HIKBJCGLQVUPAS-YPMHNXCESA-N 2 2 344.444 1.739 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)sc2n1 ZINC000245574302 139079752 /nfs/dbraw/zinc/07/97/52/139079752.db2.gz HIKBJCGLQVUPAS-YPMHNXCESA-N 2 2 344.444 1.739 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000245696426 139083491 /nfs/dbraw/zinc/08/34/91/139083491.db2.gz WXRMYFINYDOMOV-OLZOCXBDSA-N 2 2 344.381 1.838 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000245696426 139083492 /nfs/dbraw/zinc/08/34/92/139083492.db2.gz WXRMYFINYDOMOV-OLZOCXBDSA-N 2 2 344.381 1.838 20 0 EDADLP [NH3+]CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415298765 304188544 /nfs/dbraw/zinc/18/85/44/304188544.db2.gz XUGCTSPYTONDTB-UHFFFAOYSA-N 2 2 329.404 1.166 20 0 EDADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCC[NH3+])c1 ZINC000415299304 304188929 /nfs/dbraw/zinc/18/89/29/304188929.db2.gz ZDHSTKHDMAOCNE-UHFFFAOYSA-N 2 2 343.431 1.754 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000246897823 139126040 /nfs/dbraw/zinc/12/60/40/139126040.db2.gz FRGNJXBCKQCUBP-AHRSYUTCSA-N 3 2 331.504 1.726 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000246897823 139126041 /nfs/dbraw/zinc/12/60/41/139126041.db2.gz FRGNJXBCKQCUBP-AHRSYUTCSA-N 3 2 331.504 1.726 20 0 EDADLP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246659495 296234159 /nfs/dbraw/zinc/23/41/59/296234159.db2.gz DEWVSZKEGAFNGC-DZGCQCFKSA-N 2 2 325.478 1.811 20 0 EDADLP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246659495 296234161 /nfs/dbraw/zinc/23/41/61/296234161.db2.gz DEWVSZKEGAFNGC-DZGCQCFKSA-N 2 2 325.478 1.811 20 0 EDADLP C[C@@H](c1cccc(S(N)(=O)=O)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000246659495 296234163 /nfs/dbraw/zinc/23/41/63/296234163.db2.gz DEWVSZKEGAFNGC-DZGCQCFKSA-N 2 2 325.478 1.811 20 0 EDADLP C[C@@H](c1cccc(S(N)(=O)=O)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000246659495 296234165 /nfs/dbraw/zinc/23/41/65/296234165.db2.gz DEWVSZKEGAFNGC-DZGCQCFKSA-N 2 2 325.478 1.811 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000415343275 304198546 /nfs/dbraw/zinc/19/85/46/304198546.db2.gz KZJVUUNOYYIXBQ-NSHDSACASA-N 2 2 338.839 1.160 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000247112275 139136147 /nfs/dbraw/zinc/13/61/47/139136147.db2.gz YLPYAKRWLQYBPX-HKUYNNGSSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000247112275 139136148 /nfs/dbraw/zinc/13/61/48/139136148.db2.gz YLPYAKRWLQYBPX-HKUYNNGSSA-N 2 2 345.487 1.654 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000247133847 139137044 /nfs/dbraw/zinc/13/70/44/139137044.db2.gz RVHCJSXMPSJATJ-FUHWJXTLSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C)C1 ZINC000247133847 139137045 /nfs/dbraw/zinc/13/70/45/139137045.db2.gz RVHCJSXMPSJATJ-FUHWJXTLSA-N 3 2 331.508 1.653 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000247974808 139156644 /nfs/dbraw/zinc/15/66/44/139156644.db2.gz HROYVWSCFQFPDE-UKRRQHHQSA-N 2 2 336.505 1.690 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cs1 ZINC000247974808 139156645 /nfs/dbraw/zinc/15/66/45/139156645.db2.gz HROYVWSCFQFPDE-UKRRQHHQSA-N 2 2 336.505 1.690 20 0 EDADLP CN(C)C(=O)Cc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cs1 ZINC000247974808 139156646 /nfs/dbraw/zinc/15/66/46/139156646.db2.gz HROYVWSCFQFPDE-UKRRQHHQSA-N 2 2 336.505 1.690 20 0 EDADLP CN(C)C(=O)Cc1nc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cs1 ZINC000247974808 139156647 /nfs/dbraw/zinc/15/66/47/139156647.db2.gz HROYVWSCFQFPDE-UKRRQHHQSA-N 2 2 336.505 1.690 20 0 EDADLP CC[C@H](C)C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000093075645 218192257 /nfs/dbraw/zinc/19/22/57/218192257.db2.gz HZMJFUDXEYIHFQ-HNNXBMFYSA-N 2 2 339.505 1.758 20 0 EDADLP O=C(NC[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)[C@H]1CCC[NH2+]1 ZINC000261600733 139209757 /nfs/dbraw/zinc/20/97/57/139209757.db2.gz BESRDVKYDTWRNB-CZUORRHYSA-N 2 2 327.432 1.648 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000261607274 139210326 /nfs/dbraw/zinc/21/03/26/139210326.db2.gz RQBCFSSSAUHCMP-NEWSRXKRSA-N 2 2 333.476 1.244 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000261640652 139213596 /nfs/dbraw/zinc/21/35/96/139213596.db2.gz CDJAYUYZLDGDRZ-AWEZNQCLSA-N 2 2 330.436 1.303 20 0 EDADLP Clc1cnc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)s1 ZINC000261715453 139219919 /nfs/dbraw/zinc/21/99/19/139219919.db2.gz KJXAHCDWWCHNCK-UHFFFAOYSA-N 2 2 338.868 1.871 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000261718728 139220189 /nfs/dbraw/zinc/22/01/89/139220189.db2.gz FAGBMYGSPGTLJU-JFIYKMOQSA-N 2 2 330.476 1.171 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000261791910 139226376 /nfs/dbraw/zinc/22/63/76/139226376.db2.gz VBVCKLZMQCVWMQ-GOSISDBHSA-N 2 2 331.464 1.681 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000261791910 139226377 /nfs/dbraw/zinc/22/63/77/139226377.db2.gz VBVCKLZMQCVWMQ-GOSISDBHSA-N 2 2 331.464 1.681 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCCCC[N@H+](C)C3CC3)[nH+]cn2)C1 ZINC000413350551 250744597 /nfs/dbraw/zinc/74/45/97/250744597.db2.gz WWRUGZOPIRVPQS-GJZGRUSLSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCCCC[N@@H+](C)C3CC3)[nH+]cn2)C1 ZINC000413350551 250744603 /nfs/dbraw/zinc/74/46/03/250744603.db2.gz WWRUGZOPIRVPQS-GJZGRUSLSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCCCC[N@H+](C)C3CC3)nc[nH+]2)C1 ZINC000413350551 250744607 /nfs/dbraw/zinc/74/46/07/250744607.db2.gz WWRUGZOPIRVPQS-GJZGRUSLSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCCCC[N@@H+](C)C3CC3)nc[nH+]2)C1 ZINC000413350551 250744613 /nfs/dbraw/zinc/74/46/13/250744613.db2.gz WWRUGZOPIRVPQS-GJZGRUSLSA-N 2 2 333.480 1.970 20 0 EDADLP C[NH+](C)[C@H]1CN(C(=O)CCn2c3ccccc3[nH+]c2C2CC2)C[C@@H]1O ZINC000569139179 306498150 /nfs/dbraw/zinc/49/81/50/306498150.db2.gz ZXPIQBDNUNQPLR-IRXDYDNUSA-N 2 2 342.443 1.437 20 0 EDADLP C[N@H+](CCc1ccc(Br)cc1)Cc1noc(C[NH3+])n1 ZINC000261894967 139234856 /nfs/dbraw/zinc/23/48/56/139234856.db2.gz ATIPSOAEWGRSHP-UHFFFAOYSA-N 2 2 325.210 1.965 20 0 EDADLP C[N@@H+](CCc1ccc(Br)cc1)Cc1noc(C[NH3+])n1 ZINC000261894967 139234857 /nfs/dbraw/zinc/23/48/57/139234857.db2.gz ATIPSOAEWGRSHP-UHFFFAOYSA-N 2 2 325.210 1.965 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261877201 139233458 /nfs/dbraw/zinc/23/34/58/139233458.db2.gz UGAAGBHAAKVZJU-GOSISDBHSA-N 2 2 347.459 1.093 20 0 EDADLP O=C1C[C@@H]([NH2+][C@@H]2CCCc3sccc32)CN1CC[NH+]1CCOCC1 ZINC000271569401 284834982 /nfs/dbraw/zinc/83/49/82/284834982.db2.gz ZALIJGXVOGOOEK-GDBMZVCRSA-N 2 2 349.500 1.648 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262308056 139268720 /nfs/dbraw/zinc/26/87/20/139268720.db2.gz CLVRGJZGNNOIQW-HNAYVOBHSA-N 2 2 328.460 1.946 20 0 EDADLP C[NH2+]C[C@H]1CCCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000416881783 251117034 /nfs/dbraw/zinc/11/70/34/251117034.db2.gz HRSNBJHYJGUNLR-OAHLLOKOSA-N 2 2 329.448 1.986 20 0 EDADLP CCC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC1(C)C ZINC000417311030 251154112 /nfs/dbraw/zinc/15/41/12/251154112.db2.gz NGRNGNMTDBSSQS-BBWFWOEESA-N 2 2 337.508 1.724 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000262344350 139271748 /nfs/dbraw/zinc/27/17/48/139271748.db2.gz DIZWZNIVGCHHPY-INIZCTEOSA-N 2 2 330.457 1.643 20 0 EDADLP [NH3+]C1(CNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCC1 ZINC000417604964 251205394 /nfs/dbraw/zinc/20/53/94/251205394.db2.gz WLKWFIXMIBYPNP-QGZVFWFLSA-N 2 2 346.475 1.111 20 0 EDADLP [NH3+][C@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1c(F)cccc1F ZINC000417804640 251276974 /nfs/dbraw/zinc/27/69/74/251276974.db2.gz CQRZRKSFCCZSKM-INIZCTEOSA-N 2 2 334.370 1.656 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417815630 251280825 /nfs/dbraw/zinc/28/08/25/251280825.db2.gz IIWUSNSXOXDCEV-MGPQQGTHSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417815630 251280828 /nfs/dbraw/zinc/28/08/28/251280828.db2.gz IIWUSNSXOXDCEV-MGPQQGTHSA-N 2 2 340.493 1.546 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000417824637 251284786 /nfs/dbraw/zinc/28/47/86/251284786.db2.gz KVYVZMSBMKJITB-AWEZNQCLSA-N 2 2 340.493 1.339 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418425764 251367172 /nfs/dbraw/zinc/36/71/72/251367172.db2.gz KNDFDZCZGOCKJK-CABCVRRESA-N 2 2 349.479 1.684 20 0 EDADLP CCC[NH2+]CCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000418473734 251374319 /nfs/dbraw/zinc/37/43/19/251374319.db2.gz OAFRUIKSGDVMID-UHFFFAOYSA-N 2 2 344.463 1.161 20 0 EDADLP C[C@@H]([NH3+])CCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000262532534 139284671 /nfs/dbraw/zinc/28/46/71/139284671.db2.gz KEKCBTJOIHOQOR-CYBMUJFWSA-N 2 2 329.404 1.379 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418407360 251365672 /nfs/dbraw/zinc/36/56/72/251365672.db2.gz MLAHLKPSGUWHHW-INIZCTEOSA-N 2 2 338.452 1.107 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000418708807 251391948 /nfs/dbraw/zinc/39/19/48/251391948.db2.gz QSAOSCVMURPAEL-HNNXBMFYSA-N 2 2 344.463 1.289 20 0 EDADLP [NH3+]CC[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)C(F)F ZINC000418719742 251396439 /nfs/dbraw/zinc/39/64/39/251396439.db2.gz VHGASPRYZJEZMM-LBPRGKRZSA-N 2 2 332.420 1.558 20 0 EDADLP C[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262564146 139286844 /nfs/dbraw/zinc/28/68/44/139286844.db2.gz BKNNSJWKVHNFNX-HOTGVXAUSA-N 2 2 348.466 1.452 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)c3coc(C[NH3+])c3)c2)CC1 ZINC000262792669 139303878 /nfs/dbraw/zinc/30/38/78/139303878.db2.gz OMZBAUWUYPGVHW-UHFFFAOYSA-N 2 2 328.416 1.738 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)c3coc(C[NH3+])c3)c2)CC1 ZINC000262792669 139303879 /nfs/dbraw/zinc/30/38/79/139303879.db2.gz OMZBAUWUYPGVHW-UHFFFAOYSA-N 2 2 328.416 1.738 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422868910 252006983 /nfs/dbraw/zinc/00/69/83/252006983.db2.gz VURBOIHGJZPZGS-HZSPNIEDSA-N 2 2 325.403 1.900 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000422880522 252010655 /nfs/dbraw/zinc/01/06/55/252010655.db2.gz OEPLOWQVCWYVER-UHFFFAOYSA-N 2 2 349.475 1.696 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000422880522 252010659 /nfs/dbraw/zinc/01/06/59/252010659.db2.gz OEPLOWQVCWYVER-UHFFFAOYSA-N 2 2 349.475 1.696 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@@]2(CCO)CCOC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422893082 252013610 /nfs/dbraw/zinc/01/36/10/252013610.db2.gz OQTOKFWOWUHTMQ-CEXWTWQISA-N 2 2 334.460 1.867 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(OCc2nccn2C)cc1 ZINC000423508453 252056832 /nfs/dbraw/zinc/05/68/32/252056832.db2.gz IGDNCKXORUHWON-DOTOQJQBSA-N 2 2 343.475 1.553 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)CCC2 ZINC000423525002 252059188 /nfs/dbraw/zinc/05/91/88/252059188.db2.gz TVFKBLHABPWGNP-KGLIPLIRSA-N 2 2 335.448 1.635 20 0 EDADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cnn1-c1ccc(F)cc1 ZINC000423524269 252059645 /nfs/dbraw/zinc/05/96/45/252059645.db2.gz SXCNOJSTTZFWGJ-GUYCJALGSA-N 2 2 331.439 1.874 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423670188 252065799 /nfs/dbraw/zinc/06/57/99/252065799.db2.gz LXTXZAFTOGZMOS-QZTJIDSGSA-N 2 2 331.460 1.491 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423864863 252095500 /nfs/dbraw/zinc/09/55/00/252095500.db2.gz JQEKQZMNLTVCGB-KRWDZBQOSA-N 2 2 337.508 1.855 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423864863 252095503 /nfs/dbraw/zinc/09/55/03/252095503.db2.gz JQEKQZMNLTVCGB-KRWDZBQOSA-N 2 2 337.508 1.855 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371293458 296331913 /nfs/dbraw/zinc/33/19/13/296331913.db2.gz GRPDDWJIQYLPHA-RSJGLCBASA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371293458 296331915 /nfs/dbraw/zinc/33/19/15/296331915.db2.gz GRPDDWJIQYLPHA-RSJGLCBASA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424305009 252194131 /nfs/dbraw/zinc/19/41/31/252194131.db2.gz RQTORMKDBNIEDL-HOCLYGCPSA-N 2 2 348.466 1.153 20 0 EDADLP C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424305009 252194137 /nfs/dbraw/zinc/19/41/37/252194137.db2.gz RQTORMKDBNIEDL-HOCLYGCPSA-N 2 2 348.466 1.153 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)nn1C ZINC000569908870 306524237 /nfs/dbraw/zinc/52/42/37/306524237.db2.gz CJKBDMXDHAPLLJ-ZIAGYGMSSA-N 2 2 330.436 1.304 20 0 EDADLP COc1cncc(/C=C/C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000492442389 255176490 /nfs/dbraw/zinc/17/64/90/255176490.db2.gz OQAMLHLPIUPKGU-AATRIKPKSA-N 2 2 346.475 1.588 20 0 EDADLP COc1cncc(/C=C/C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000492442389 255176491 /nfs/dbraw/zinc/17/64/91/255176491.db2.gz OQAMLHLPIUPKGU-AATRIKPKSA-N 2 2 346.475 1.588 20 0 EDADLP O=C(C[N@@H+](CCO)Cc1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000494262478 255243526 /nfs/dbraw/zinc/24/35/26/255243526.db2.gz OSPGGUVKYWOQRW-UHFFFAOYSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(C[N@H+](CCO)Cc1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000494262478 255243527 /nfs/dbraw/zinc/24/35/27/255243527.db2.gz OSPGGUVKYWOQRW-UHFFFAOYSA-N 2 2 349.450 1.363 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H]3C[N@H+](C)C[C@H]3C)c[nH+]2)CC1 ZINC000495668837 255312859 /nfs/dbraw/zinc/31/28/59/255312859.db2.gz JZZSYXSYGGPPHX-UKRRQHHQSA-N 2 2 333.436 1.332 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H]3C[N@@H+](C)C[C@H]3C)c[nH+]2)CC1 ZINC000495668837 255312860 /nfs/dbraw/zinc/31/28/60/255312860.db2.gz JZZSYXSYGGPPHX-UKRRQHHQSA-N 2 2 333.436 1.332 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCN3CCOC3=O)c2cc1C ZINC000496479330 255396846 /nfs/dbraw/zinc/39/68/46/255396846.db2.gz ZSWKPIRRTKYPEN-HNNXBMFYSA-N 2 2 346.431 1.446 20 0 EDADLP CSC[C@H](O)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000570443827 306542592 /nfs/dbraw/zinc/54/25/92/306542592.db2.gz DZLIAPXHQYLKNI-MRXNPFEDSA-N 2 2 340.489 1.211 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000263989412 139374268 /nfs/dbraw/zinc/37/42/68/139374268.db2.gz FUNIYYJIPVYMLG-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000263989412 139374269 /nfs/dbraw/zinc/37/42/69/139374269.db2.gz FUNIYYJIPVYMLG-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261836660 285305179 /nfs/dbraw/zinc/30/51/79/285305179.db2.gz UDMGNVXYGQXDDP-UHOSZYNNSA-N 3 2 344.503 1.213 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261836660 285305184 /nfs/dbraw/zinc/30/51/84/285305184.db2.gz UDMGNVXYGQXDDP-UHOSZYNNSA-N 3 2 344.503 1.213 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000264021161 139376109 /nfs/dbraw/zinc/37/61/09/139376109.db2.gz RPHPOMAHIAZQFA-OKILXGFUSA-N 2 2 330.432 1.952 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000264021161 139376110 /nfs/dbraw/zinc/37/61/10/139376110.db2.gz RPHPOMAHIAZQFA-OKILXGFUSA-N 2 2 330.432 1.952 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117793774 221089580 /nfs/dbraw/zinc/08/95/80/221089580.db2.gz RHSBXJPCQFWATM-QGZVFWFLSA-N 2 2 328.416 1.401 20 0 EDADLP C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000117791992 221089871 /nfs/dbraw/zinc/08/98/71/221089871.db2.gz TYKNTIOTRXCOEX-HUUCEWRRSA-N 2 2 328.416 1.711 20 0 EDADLP Cc1cccc(NCCNc2[nH+]cnc3c2cnn3-c2ncccn2)[nH+]1 ZINC000119457306 221324725 /nfs/dbraw/zinc/32/47/25/221324725.db2.gz WWHNUMHTQFCWEA-UHFFFAOYSA-N 2 2 347.386 1.833 20 0 EDADLP CC(C)c1nnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000119610659 221359676 /nfs/dbraw/zinc/35/96/76/221359676.db2.gz YTDLOLGIJZLGMD-XYPWUTKMSA-N 2 2 333.480 1.936 20 0 EDADLP CC(C)c1nnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000119610659 221359679 /nfs/dbraw/zinc/35/96/79/221359679.db2.gz YTDLOLGIJZLGMD-XYPWUTKMSA-N 2 2 333.480 1.936 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000119693241 221378784 /nfs/dbraw/zinc/37/87/84/221378784.db2.gz UKEIDTLTWCNNOP-ZDUSSCGKSA-N 2 2 337.489 1.872 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000264299194 139394951 /nfs/dbraw/zinc/39/49/51/139394951.db2.gz WNCWUVQMAQTZIP-UHFFFAOYSA-N 2 2 347.463 1.834 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000570910798 306554003 /nfs/dbraw/zinc/55/40/03/306554003.db2.gz FRUJCUTYSSLGSU-BBRMVZONSA-N 2 2 345.422 1.947 20 0 EDADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000570973410 306554799 /nfs/dbraw/zinc/55/47/99/306554799.db2.gz ASDSILZJBXCMDS-QGZVFWFLSA-N 2 2 334.489 1.384 20 0 EDADLP Cc1cc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c2ccccc2n1 ZINC000132227035 533609631 /nfs/dbraw/zinc/60/96/31/533609631.db2.gz RIMHJDZOYVOLCV-UHFFFAOYSA-N 2 2 326.444 1.749 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000571656261 306571387 /nfs/dbraw/zinc/57/13/87/306571387.db2.gz CZSARANDFHFXHD-YJBOKZPZSA-N 2 2 346.475 1.316 20 0 EDADLP CCc1nc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)no1 ZINC000269834523 140003265 /nfs/dbraw/zinc/00/32/65/140003265.db2.gz KGTPXKUATVZTAI-UHFFFAOYSA-N 2 2 336.359 1.811 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC000270906351 140195384 /nfs/dbraw/zinc/19/53/84/140195384.db2.gz AREFPZCDXJZVPN-AWEZNQCLSA-N 2 2 343.431 1.160 20 0 EDADLP COCC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000271295700 140272703 /nfs/dbraw/zinc/27/27/03/140272703.db2.gz GXNXFOJBGKVQOS-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331542345 141045490 /nfs/dbraw/zinc/04/54/90/141045490.db2.gz XXWJGXIGSVJSJQ-ZIAGYGMSSA-N 2 2 330.436 1.967 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331542345 141045491 /nfs/dbraw/zinc/04/54/91/141045491.db2.gz XXWJGXIGSVJSJQ-ZIAGYGMSSA-N 2 2 330.436 1.967 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331835209 141086858 /nfs/dbraw/zinc/08/68/58/141086858.db2.gz AQRYHOLTDYNKPP-TWMKSMIVSA-N 2 2 347.507 1.872 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)nc[nH+]2)C1 ZINC000333545241 141334606 /nfs/dbraw/zinc/33/46/06/141334606.db2.gz IMSFEUZOGMBNKX-VNQPRFMTSA-N 2 2 341.463 1.378 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000333727111 141367080 /nfs/dbraw/zinc/36/70/80/141367080.db2.gz VNORIJRAMMZSHX-BBWFWOEESA-N 2 2 345.491 1.858 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)s1 ZINC000333874920 141399518 /nfs/dbraw/zinc/39/95/18/141399518.db2.gz VESRNRSSZJSAGZ-GXTWGEPZSA-N 2 2 337.493 1.419 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000339546123 142072973 /nfs/dbraw/zinc/07/29/73/142072973.db2.gz JMMOQICKJZOYBR-IBGZPJMESA-N 2 2 328.460 1.973 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000339546123 142072975 /nfs/dbraw/zinc/07/29/75/142072975.db2.gz JMMOQICKJZOYBR-IBGZPJMESA-N 2 2 328.460 1.973 20 0 EDADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CCC[N@@H+]1C ZINC000340349751 142354443 /nfs/dbraw/zinc/35/44/43/142354443.db2.gz AFPAYXIKZXSEBT-OAUYIBNBSA-N 2 2 337.489 1.784 20 0 EDADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CCC[N@H+]1C ZINC000340349751 142354444 /nfs/dbraw/zinc/35/44/44/142354444.db2.gz AFPAYXIKZXSEBT-OAUYIBNBSA-N 2 2 337.489 1.784 20 0 EDADLP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nn1C ZINC000340389019 142372061 /nfs/dbraw/zinc/37/20/61/142372061.db2.gz BJTODDOSRQBARQ-HNSVSWJLSA-N 2 2 333.480 1.463 20 0 EDADLP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nn1C ZINC000340389019 142372062 /nfs/dbraw/zinc/37/20/62/142372062.db2.gz BJTODDOSRQBARQ-HNSVSWJLSA-N 2 2 333.480 1.463 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CN2CC[NH+](CC)CC2)C1 ZINC000345258705 143070395 /nfs/dbraw/zinc/07/03/95/143070395.db2.gz CGGLQAYCBIVLGF-INIZCTEOSA-N 2 2 333.480 1.247 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345408776 143087772 /nfs/dbraw/zinc/08/77/72/143087772.db2.gz GDKNRWFLVATABU-HNNXBMFYSA-N 2 2 340.427 1.698 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345408776 143087773 /nfs/dbraw/zinc/08/77/73/143087773.db2.gz GDKNRWFLVATABU-HNNXBMFYSA-N 2 2 340.427 1.698 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCC[N@@H+]1C ZINC000345742519 143127688 /nfs/dbraw/zinc/12/76/88/143127688.db2.gz JBCLXNTZGWWUAR-PMPSAXMXSA-N 2 2 333.480 1.867 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CCC[N@H+]1C ZINC000345742519 143127689 /nfs/dbraw/zinc/12/76/89/143127689.db2.gz JBCLXNTZGWWUAR-PMPSAXMXSA-N 2 2 333.480 1.867 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000346064175 143163567 /nfs/dbraw/zinc/16/35/67/143163567.db2.gz IBKHPUHCFJTRBS-KRWDZBQOSA-N 3 2 331.508 1.272 20 0 EDADLP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1)N1CC[NH+](C)CC1 ZINC000346605313 143221372 /nfs/dbraw/zinc/22/13/72/143221372.db2.gz MYJFITQODQNFJO-KXBFYZLASA-N 2 2 343.450 1.931 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000346698688 143233717 /nfs/dbraw/zinc/23/37/17/143233717.db2.gz ADKJGFAZKJDJDN-RCCFBDPRSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000346698688 143233718 /nfs/dbraw/zinc/23/37/18/143233718.db2.gz ADKJGFAZKJDJDN-RCCFBDPRSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[NH+]2Cc2ccccc2)[N@H+](C)C1 ZINC000346698688 143233719 /nfs/dbraw/zinc/23/37/19/143233719.db2.gz ADKJGFAZKJDJDN-RCCFBDPRSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[NH+]2Cc2ccccc2)[N@@H+](C)C1 ZINC000346698688 143233720 /nfs/dbraw/zinc/23/37/20/143233720.db2.gz ADKJGFAZKJDJDN-RCCFBDPRSA-N 2 2 331.460 1.438 20 0 EDADLP O=C(COc1ccc(F)cc1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346845094 143251083 /nfs/dbraw/zinc/25/10/83/143251083.db2.gz ZCPVHNJXPBJWLB-HNNXBMFYSA-N 2 2 335.423 1.348 20 0 EDADLP OC[C@H]1CC[C@@H](CO)[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000347276899 143302930 /nfs/dbraw/zinc/30/29/30/143302930.db2.gz OHUAYVZLZNLGQP-KDURUIRLSA-N 2 2 333.476 1.016 20 0 EDADLP OC[C@H]1CC[C@@H](CO)[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000347276899 143302931 /nfs/dbraw/zinc/30/29/31/143302931.db2.gz OHUAYVZLZNLGQP-KDURUIRLSA-N 2 2 333.476 1.016 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000347712828 143352910 /nfs/dbraw/zinc/35/29/10/143352910.db2.gz BXGGERSOINMGFV-WBVHZDCISA-N 2 2 349.475 1.382 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000347729601 143355334 /nfs/dbraw/zinc/35/53/34/143355334.db2.gz HAKDMUSRQPZVAZ-UHFFFAOYSA-N 2 2 342.443 1.726 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(Cc3ncc(C[NH+](C)C)s3)CC2)cn1 ZINC000347770903 143361069 /nfs/dbraw/zinc/36/10/69/143361069.db2.gz BHFADYTXHYPEPB-UHFFFAOYSA-N 2 2 348.520 1.646 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(Cc3ncc(C[NH+](C)C)s3)CC2)cn1 ZINC000347770903 143361070 /nfs/dbraw/zinc/36/10/70/143361070.db2.gz BHFADYTXHYPEPB-UHFFFAOYSA-N 2 2 348.520 1.646 20 0 EDADLP CC(C)C[N@@H+]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000369705870 155141794 /nfs/dbraw/zinc/14/17/94/155141794.db2.gz FQVQXZGDKXNOTL-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)C[N@H+]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000369705870 155141796 /nfs/dbraw/zinc/14/17/96/155141796.db2.gz FQVQXZGDKXNOTL-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)C[NH+]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000369705870 155141798 /nfs/dbraw/zinc/14/17/98/155141798.db2.gz FQVQXZGDKXNOTL-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)C[NH+]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000369705870 155141801 /nfs/dbraw/zinc/14/18/01/155141801.db2.gz FQVQXZGDKXNOTL-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](c2ccsc2)O1 ZINC000369814958 155188092 /nfs/dbraw/zinc/18/80/92/155188092.db2.gz VGEDVZOWFJKQQH-GOEBONIOSA-N 2 2 337.489 1.674 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](c2ccsc2)O1 ZINC000369814958 155188095 /nfs/dbraw/zinc/18/80/95/155188095.db2.gz VGEDVZOWFJKQQH-GOEBONIOSA-N 2 2 337.489 1.674 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416894451 304354019 /nfs/dbraw/zinc/35/40/19/304354019.db2.gz QPBVEQQQFLSPFP-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352672768 149112063 /nfs/dbraw/zinc/11/20/63/149112063.db2.gz AMIZLWYUVXJQNC-UHFFFAOYSA-N 2 2 348.516 1.563 20 0 EDADLP CCCn1c(C)nnc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369910949 155228381 /nfs/dbraw/zinc/22/83/81/155228381.db2.gz WLAKQHRMOSYIPH-HNNXBMFYSA-N 2 2 334.512 1.597 20 0 EDADLP CCCn1c(C)nnc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369910949 155228384 /nfs/dbraw/zinc/22/83/84/155228384.db2.gz WLAKQHRMOSYIPH-HNNXBMFYSA-N 2 2 334.512 1.597 20 0 EDADLP Cc1nc(N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc[nH+]1 ZINC000353280271 149351148 /nfs/dbraw/zinc/35/11/48/149351148.db2.gz AXUAOWHEJSACLQ-UHFFFAOYSA-N 2 2 339.447 1.892 20 0 EDADLP Cc1cccc2[nH+]cc(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)n21 ZINC000353283830 149351555 /nfs/dbraw/zinc/35/15/55/149351555.db2.gz SJRCSKCVRTVNQW-UHFFFAOYSA-N 2 2 341.459 1.383 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCC[C@H]1CC[NH2+]C1 ZINC000416960611 304355590 /nfs/dbraw/zinc/35/55/90/304355590.db2.gz RBENKXRJCJFQCY-MRXNPFEDSA-N 2 2 341.459 1.773 20 0 EDADLP CCOCCO[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354976665 286111216 /nfs/dbraw/zinc/11/12/16/286111216.db2.gz NKAKPQOTHXSWOG-JKSUJKDBSA-N 2 2 341.496 1.055 20 0 EDADLP CCOCCO[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354976665 286111218 /nfs/dbraw/zinc/11/12/18/286111218.db2.gz NKAKPQOTHXSWOG-JKSUJKDBSA-N 2 2 341.496 1.055 20 0 EDADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000354585656 149877666 /nfs/dbraw/zinc/87/76/66/149877666.db2.gz NRMGPWUOQJYADW-SQNIBIBYSA-N 2 2 337.508 1.724 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000354860968 150000112 /nfs/dbraw/zinc/00/01/12/150000112.db2.gz FXLJQZUOBZYKNR-CVEARBPZSA-N 2 2 342.422 1.770 20 0 EDADLP CCn1nccc1C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354923068 150034641 /nfs/dbraw/zinc/03/46/41/150034641.db2.gz MSXGNUNCJHCDBA-GDBMZVCRSA-N 2 2 334.443 1.681 20 0 EDADLP CCn1nccc1C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354923068 150034642 /nfs/dbraw/zinc/03/46/42/150034642.db2.gz MSXGNUNCJHCDBA-GDBMZVCRSA-N 2 2 334.443 1.681 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000355661175 150353568 /nfs/dbraw/zinc/35/35/68/150353568.db2.gz RXIOXRODWZJALD-UHFFFAOYSA-N 2 2 343.431 1.442 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)no1 ZINC000370009745 155278589 /nfs/dbraw/zinc/27/85/89/155278589.db2.gz LCKGRASCJBFQNK-OLZOCXBDSA-N 2 2 335.452 1.357 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)no1 ZINC000370009745 155278594 /nfs/dbraw/zinc/27/85/94/155278594.db2.gz LCKGRASCJBFQNK-OLZOCXBDSA-N 2 2 335.452 1.357 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417044851 304365867 /nfs/dbraw/zinc/36/58/67/304365867.db2.gz UHFSXUWNYQVXPS-DOTOQJQBSA-N 2 2 334.464 1.215 20 0 EDADLP O=C(C[N@H+](Cc1ccncc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000357361227 151007363 /nfs/dbraw/zinc/00/73/63/151007363.db2.gz FCXICGRPKXUCQG-UHFFFAOYSA-N 2 2 328.460 1.789 20 0 EDADLP O=C(C[N@@H+](Cc1ccncc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000357361227 151007367 /nfs/dbraw/zinc/00/73/67/151007367.db2.gz FCXICGRPKXUCQG-UHFFFAOYSA-N 2 2 328.460 1.789 20 0 EDADLP Cc1nc(NC(=O)[C@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)sc1C ZINC000357645968 151099408 /nfs/dbraw/zinc/09/94/08/151099408.db2.gz GVWNTQCTCVFPEV-LBPRGKRZSA-N 2 2 340.493 1.475 20 0 EDADLP Cc1nc(NC(=O)[C@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)sc1C ZINC000357645968 151099409 /nfs/dbraw/zinc/09/94/09/151099409.db2.gz GVWNTQCTCVFPEV-LBPRGKRZSA-N 2 2 340.493 1.475 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C)nc1C1CC1 ZINC000357773900 151148265 /nfs/dbraw/zinc/14/82/65/151148265.db2.gz RUICBJWZCVLCCK-UHFFFAOYSA-N 2 2 333.480 1.396 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C)nc1C1CC1 ZINC000357773900 151148267 /nfs/dbraw/zinc/14/82/67/151148267.db2.gz RUICBJWZCVLCCK-UHFFFAOYSA-N 2 2 333.480 1.396 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000357820597 151161950 /nfs/dbraw/zinc/16/19/50/151161950.db2.gz TZKVUQTYCHWLNV-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000357820597 151161951 /nfs/dbraw/zinc/16/19/51/151161951.db2.gz TZKVUQTYCHWLNV-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000357820597 151161953 /nfs/dbraw/zinc/16/19/53/151161953.db2.gz TZKVUQTYCHWLNV-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000357820597 151161955 /nfs/dbraw/zinc/16/19/55/151161955.db2.gz TZKVUQTYCHWLNV-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000358224526 151310667 /nfs/dbraw/zinc/31/06/67/151310667.db2.gz RDLRXRHAIJGRLO-YOEHRIQHSA-N 2 2 337.489 1.346 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000358224526 151310669 /nfs/dbraw/zinc/31/06/69/151310669.db2.gz RDLRXRHAIJGRLO-YOEHRIQHSA-N 2 2 337.489 1.346 20 0 EDADLP O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000360354170 152004554 /nfs/dbraw/zinc/00/45/54/152004554.db2.gz OGNYGKMWKNVEPT-QGZVFWFLSA-N 2 2 335.492 1.718 20 0 EDADLP O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000360354167 152004574 /nfs/dbraw/zinc/00/45/74/152004574.db2.gz OGNYGKMWKNVEPT-KRWDZBQOSA-N 2 2 335.492 1.718 20 0 EDADLP COCC[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000360420025 152032332 /nfs/dbraw/zinc/03/23/32/152032332.db2.gz UOUNGQOQQAVLRA-UHFFFAOYSA-N 2 2 346.475 1.084 20 0 EDADLP COCCc1noc(C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)n1 ZINC000360449628 152048736 /nfs/dbraw/zinc/04/87/36/152048736.db2.gz RISFQZPCFLJGGG-UHFFFAOYSA-N 2 2 338.452 1.193 20 0 EDADLP CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360481344 152061970 /nfs/dbraw/zinc/06/19/70/152061970.db2.gz FRPQFERJPCYJAS-IBGZPJMESA-N 2 2 347.503 1.670 20 0 EDADLP CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360481344 152061971 /nfs/dbraw/zinc/06/19/71/152061971.db2.gz FRPQFERJPCYJAS-IBGZPJMESA-N 2 2 347.503 1.670 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552900 152092583 /nfs/dbraw/zinc/09/25/83/152092583.db2.gz PSEQVVXAYFVCGP-SPYBWZPUSA-N 2 2 345.443 1.017 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552900 152092588 /nfs/dbraw/zinc/09/25/88/152092588.db2.gz PSEQVVXAYFVCGP-SPYBWZPUSA-N 2 2 345.443 1.017 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000370130662 155341494 /nfs/dbraw/zinc/34/14/94/155341494.db2.gz FLAUNPCXNQXRMM-SFHVURJKSA-N 2 2 335.492 1.478 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000370130662 155341498 /nfs/dbraw/zinc/34/14/98/155341498.db2.gz FLAUNPCXNQXRMM-SFHVURJKSA-N 2 2 335.492 1.478 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000360873478 152237667 /nfs/dbraw/zinc/23/76/67/152237667.db2.gz PSFZXJHQHLQURO-DFEOGRTESA-N 2 2 333.476 1.527 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000360873478 152237668 /nfs/dbraw/zinc/23/76/68/152237668.db2.gz PSFZXJHQHLQURO-DFEOGRTESA-N 2 2 333.476 1.527 20 0 EDADLP C[C@H]1CCCC[C@@H]1OCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360893643 152243986 /nfs/dbraw/zinc/24/39/86/152243986.db2.gz FWTZWYIGLGUPQH-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP CC[NH+](CC)CC1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000360963294 152265139 /nfs/dbraw/zinc/26/51/39/152265139.db2.gz AWZYJMXMSSEGBG-QGZVFWFLSA-N 2 2 347.507 1.996 20 0 EDADLP CC[NH+](CC)CC1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000360963294 152265142 /nfs/dbraw/zinc/26/51/42/152265142.db2.gz AWZYJMXMSSEGBG-QGZVFWFLSA-N 2 2 347.507 1.996 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000360966405 152265619 /nfs/dbraw/zinc/26/56/19/152265619.db2.gz NVCYZCGJLHBSCT-SJLPKXTDSA-N 2 2 340.464 1.332 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(C)nc3C(F)F)C2)CC1 ZINC000361181371 152327653 /nfs/dbraw/zinc/32/76/53/152327653.db2.gz LMZPCFGHKMTIDO-AWEZNQCLSA-N 2 2 327.423 1.570 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(C)nc3C(F)F)C2)CC1 ZINC000361181371 152327656 /nfs/dbraw/zinc/32/76/56/152327656.db2.gz LMZPCFGHKMTIDO-AWEZNQCLSA-N 2 2 327.423 1.570 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cn(C)nc2C(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000361190747 152329904 /nfs/dbraw/zinc/32/99/04/152329904.db2.gz PYUVHUZRPCMYSS-UKRRQHHQSA-N 2 2 341.450 1.816 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cn(C)nc2C(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000361190747 152329907 /nfs/dbraw/zinc/32/99/07/152329907.db2.gz PYUVHUZRPCMYSS-UKRRQHHQSA-N 2 2 341.450 1.816 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cn(C)nc2C(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361190745 152330231 /nfs/dbraw/zinc/33/02/31/152330231.db2.gz PYUVHUZRPCMYSS-HIFRSBDPSA-N 2 2 341.450 1.816 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cn(C)nc2C(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361190745 152330233 /nfs/dbraw/zinc/33/02/33/152330233.db2.gz PYUVHUZRPCMYSS-HIFRSBDPSA-N 2 2 341.450 1.816 20 0 EDADLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H](C)N2CC[NH+](C)CC2)[nH+]1 ZINC000363800962 153059999 /nfs/dbraw/zinc/05/99/99/153059999.db2.gz OPTBZNDUIDTVOD-CQSZACIVSA-N 2 2 327.432 1.960 20 0 EDADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364346750 153212620 /nfs/dbraw/zinc/21/26/20/153212620.db2.gz JAOGNQMLBSSYGA-HYVNUMGLSA-N 2 2 335.496 1.976 20 0 EDADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364346750 153212623 /nfs/dbraw/zinc/21/26/23/153212623.db2.gz JAOGNQMLBSSYGA-HYVNUMGLSA-N 2 2 335.496 1.976 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@@H](NC[C@@H]3C[NH+](C4CC4)CCO3)C2)cc1 ZINC000364393359 153226326 /nfs/dbraw/zinc/22/63/26/153226326.db2.gz ZKAUMBYQAJMQHX-UYAOXDASSA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@@H](NC[C@@H]3C[NH+](C4CC4)CCO3)C2)cc1 ZINC000364393359 153226328 /nfs/dbraw/zinc/22/63/28/153226328.db2.gz ZKAUMBYQAJMQHX-UYAOXDASSA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[NH+]2CC[C@@H](NC[C@@H]3C[N@@H+](C4CC4)CCO3)C2)cc1 ZINC000364393359 153226332 /nfs/dbraw/zinc/22/63/32/153226332.db2.gz ZKAUMBYQAJMQHX-UYAOXDASSA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[NH+]2CC[C@@H](NC[C@@H]3C[N@H+](C4CC4)CCO3)C2)cc1 ZINC000364393359 153226335 /nfs/dbraw/zinc/22/63/35/153226335.db2.gz ZKAUMBYQAJMQHX-UYAOXDASSA-N 2 2 329.488 1.756 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000364430297 153234639 /nfs/dbraw/zinc/23/46/39/153234639.db2.gz YDIJIEAGEORIDB-UHFFFAOYSA-N 2 2 335.496 1.840 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000364839782 153349063 /nfs/dbraw/zinc/34/90/63/153349063.db2.gz NVOXTZYALIFCFO-OAHLLOKOSA-N 2 2 325.478 1.178 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000364839782 153349065 /nfs/dbraw/zinc/34/90/65/153349065.db2.gz NVOXTZYALIFCFO-OAHLLOKOSA-N 2 2 325.478 1.178 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C)CC2)cc(OC)c1 ZINC000574274307 306646498 /nfs/dbraw/zinc/64/64/98/306646498.db2.gz CUVVMLYVAQXLLM-KSSFIOAISA-N 2 2 347.459 1.346 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCN2CCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000367359858 154088587 /nfs/dbraw/zinc/08/85/87/154088587.db2.gz CGWQYVNJRFWEEC-AEFFLSMTSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCN2CCNC2=O)CC[N@H+]1Cc1ccccc1 ZINC000367359858 154088591 /nfs/dbraw/zinc/08/85/91/154088591.db2.gz CGWQYVNJRFWEEC-AEFFLSMTSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CCN2CCNC2=O)CC[NH+]1Cc1ccccc1 ZINC000367359858 154088592 /nfs/dbraw/zinc/08/85/92/154088592.db2.gz CGWQYVNJRFWEEC-AEFFLSMTSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN2CCNC2=O)CC[NH+]1Cc1ccccc1 ZINC000367359858 154088594 /nfs/dbraw/zinc/08/85/94/154088594.db2.gz CGWQYVNJRFWEEC-AEFFLSMTSA-N 2 2 330.476 1.997 20 0 EDADLP CC1(C)C[NH+](CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000574529680 306652320 /nfs/dbraw/zinc/65/23/20/306652320.db2.gz YSOMYEBYNBOVAA-UHFFFAOYSA-N 2 2 326.444 1.932 20 0 EDADLP C[C@@H]1CN(C(=O)NOCc2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367546349 154171270 /nfs/dbraw/zinc/17/12/70/154171270.db2.gz HCHZYHBEXRGGMB-MRXNPFEDSA-N 2 2 346.475 1.928 20 0 EDADLP C[C@@H]1CN(C(=O)NOCc2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367546349 154171273 /nfs/dbraw/zinc/17/12/73/154171273.db2.gz HCHZYHBEXRGGMB-MRXNPFEDSA-N 2 2 346.475 1.928 20 0 EDADLP Cc1cc(N2CCC(N(C)C(=O)[C@H](C)C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000367649054 154212689 /nfs/dbraw/zinc/21/26/89/154212689.db2.gz OXJLNFOECYLWQT-CYBMUJFWSA-N 2 2 333.480 1.930 20 0 EDADLP CN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367898918 154317824 /nfs/dbraw/zinc/31/78/24/154317824.db2.gz FWOKLDSVNVPMRY-XYPWUTKMSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367898918 154317826 /nfs/dbraw/zinc/31/78/26/154317826.db2.gz FWOKLDSVNVPMRY-XYPWUTKMSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](O)c1ncc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000368050104 154385575 /nfs/dbraw/zinc/38/55/75/154385575.db2.gz CLPVPPZFVAGBTQ-DZGCQCFKSA-N 2 2 338.521 1.797 20 0 EDADLP C[C@H](O)c1ncc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000368050104 154385579 /nfs/dbraw/zinc/38/55/79/154385579.db2.gz CLPVPPZFVAGBTQ-DZGCQCFKSA-N 2 2 338.521 1.797 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369499610 155061162 /nfs/dbraw/zinc/06/11/62/155061162.db2.gz HIRFAXWJOIUIEK-DLBZAZTESA-N 2 2 326.444 1.735 20 0 EDADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000369599126 155104495 /nfs/dbraw/zinc/10/44/95/155104495.db2.gz GZZJXAVRRQPVKW-IBGZPJMESA-N 2 2 343.471 1.584 20 0 EDADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C2CCC2)CC1 ZINC000369599126 155104499 /nfs/dbraw/zinc/10/44/99/155104499.db2.gz GZZJXAVRRQPVKW-IBGZPJMESA-N 2 2 343.471 1.584 20 0 EDADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000371662761 156051523 /nfs/dbraw/zinc/05/15/23/156051523.db2.gz BKAYXGFLGUHOSW-JFIYKMOQSA-N 2 2 333.476 1.899 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000371866246 156144518 /nfs/dbraw/zinc/14/45/18/156144518.db2.gz GOVCGAOEJQADLI-AWEZNQCLSA-N 2 2 326.448 1.892 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000371866246 156144520 /nfs/dbraw/zinc/14/45/20/156144520.db2.gz GOVCGAOEJQADLI-AWEZNQCLSA-N 2 2 326.448 1.892 20 0 EDADLP CN(C(=O)Cc1ccccc1O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371975597 156193656 /nfs/dbraw/zinc/19/36/56/156193656.db2.gz VSZMSABLAXVKGL-QGZVFWFLSA-N 2 2 331.460 1.562 20 0 EDADLP CN(C(=O)Cc1ccccc1O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371975597 156193661 /nfs/dbraw/zinc/19/36/61/156193661.db2.gz VSZMSABLAXVKGL-QGZVFWFLSA-N 2 2 331.460 1.562 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372312506 156327687 /nfs/dbraw/zinc/32/76/87/156327687.db2.gz XZZWKPRQIQYJIL-GOSISDBHSA-N 2 2 341.459 1.241 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372312506 156327692 /nfs/dbraw/zinc/32/76/92/156327692.db2.gz XZZWKPRQIQYJIL-GOSISDBHSA-N 2 2 341.459 1.241 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@]1([NH+](C)C)CCCSC1)[NH+]1CCOCC1 ZINC000372351662 156348456 /nfs/dbraw/zinc/34/84/56/156348456.db2.gz SUDRXKLSTUVPOT-SQWLQELKSA-N 2 2 329.510 1.039 20 0 EDADLP [NH3+]CCc1nc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cs1 ZINC000373509917 156879833 /nfs/dbraw/zinc/87/98/33/156879833.db2.gz PULNXHVYTPOPII-OCCSQVGLSA-N 2 2 338.477 1.018 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374391608 157272914 /nfs/dbraw/zinc/27/29/14/157272914.db2.gz XNQODMFVQTZLQR-MRXNPFEDSA-N 2 2 327.432 1.965 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C2 ZINC000378034555 158062134 /nfs/dbraw/zinc/06/21/34/158062134.db2.gz ZDKUBDOUGITKRJ-MRXNPFEDSA-N 2 2 348.491 1.571 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCn3c[nH+]cc3C2)C[C@@H](C)O1 ZINC000378115666 158083345 /nfs/dbraw/zinc/08/33/45/158083345.db2.gz SZJJVHUVRHGEKN-ZIAGYGMSSA-N 2 2 335.452 1.296 20 0 EDADLP CN1CC[NH+](C2(CNC(=O)[C@H]3CSC[NH2+]3)CCCCCC2)CC1 ZINC000378203398 158108080 /nfs/dbraw/zinc/10/80/80/158108080.db2.gz QIJRFKSWYZPHFF-OAHLLOKOSA-N 2 2 340.537 1.106 20 0 EDADLP CC(C)c1nc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc(N(C)C)[nH+]1 ZINC000378361306 158152238 /nfs/dbraw/zinc/15/22/38/158152238.db2.gz REWRFOUHYYVXBR-HNNXBMFYSA-N 2 2 347.511 1.277 20 0 EDADLP CC(C)c1nc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)nc(N(C)C)[nH+]1 ZINC000378361306 158152241 /nfs/dbraw/zinc/15/22/41/158152241.db2.gz REWRFOUHYYVXBR-HNNXBMFYSA-N 2 2 347.511 1.277 20 0 EDADLP C[N@H+](CCCNC(=O)C1([NH+]2CCOCC2)CCC1)Cc1ccccc1 ZINC000378376132 158157063 /nfs/dbraw/zinc/15/70/63/158157063.db2.gz JDCYYCABQGLUTC-UHFFFAOYSA-N 2 2 345.487 1.880 20 0 EDADLP C[N@@H+](CCCNC(=O)C1([NH+]2CCOCC2)CCC1)Cc1ccccc1 ZINC000378376132 158157069 /nfs/dbraw/zinc/15/70/69/158157069.db2.gz JDCYYCABQGLUTC-UHFFFAOYSA-N 2 2 345.487 1.880 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1cccc(F)c1 ZINC000378576416 158213323 /nfs/dbraw/zinc/21/33/23/158213323.db2.gz GZGLWIPHHRDVNG-QAPCUYQASA-N 2 2 349.450 1.800 20 0 EDADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000378576868 158213340 /nfs/dbraw/zinc/21/33/40/158213340.db2.gz HZKUBTWLHDPESE-IEBWSBKVSA-N 2 2 345.487 1.969 20 0 EDADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000352833165 162259955 /nfs/dbraw/zinc/25/99/55/162259955.db2.gz XPDLRRKDQPUQFU-ZNMIVQPWSA-N 2 2 338.452 1.339 20 0 EDADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000352833165 162259958 /nfs/dbraw/zinc/25/99/58/162259958.db2.gz XPDLRRKDQPUQFU-ZNMIVQPWSA-N 2 2 338.452 1.339 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369411684 287122527 /nfs/dbraw/zinc/12/25/27/287122527.db2.gz ANSRHCSDVUBBMH-NVXWUHKLSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369411684 287122534 /nfs/dbraw/zinc/12/25/34/287122534.db2.gz ANSRHCSDVUBBMH-NVXWUHKLSA-N 2 2 346.475 1.476 20 0 EDADLP CO[C@@H]1CCC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122724026 222144619 /nfs/dbraw/zinc/14/46/19/222144619.db2.gz AKSBNKVCBYGDSC-IAGOWNOFSA-N 2 2 338.496 1.412 20 0 EDADLP COCC[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073978500 292623400 /nfs/dbraw/zinc/62/34/00/292623400.db2.gz ZYEQLKWOLLEZOC-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000418470414 304499408 /nfs/dbraw/zinc/49/94/08/304499408.db2.gz LIBCORQUCGRCPU-KBPBESRZSA-N 2 2 340.493 1.358 20 0 EDADLP C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000190096825 272973223 /nfs/dbraw/zinc/97/32/23/272973223.db2.gz BASJCIZDCDXWLI-CQSZACIVSA-N 2 2 340.512 1.070 20 0 EDADLP C[NH+]1CCC(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000273257524 268005705 /nfs/dbraw/zinc/00/57/05/268005705.db2.gz MDVKBCDRFJWPPZ-UHFFFAOYSA-N 2 2 345.487 1.867 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000274592799 268165163 /nfs/dbraw/zinc/16/51/63/268165163.db2.gz KKCMMEULRIMGJD-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1cncc(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000275511410 268353604 /nfs/dbraw/zinc/35/36/04/268353604.db2.gz BQEVJWBBPQFXSO-HNNXBMFYSA-N 2 2 343.406 1.739 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000275880376 268381124 /nfs/dbraw/zinc/38/11/24/268381124.db2.gz GZOAJVRZHVUWJV-HZPDHXFCSA-N 2 2 331.464 1.384 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000275880376 268381126 /nfs/dbraw/zinc/38/11/26/268381126.db2.gz GZOAJVRZHVUWJV-HZPDHXFCSA-N 2 2 331.464 1.384 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275880376 268381128 /nfs/dbraw/zinc/38/11/28/268381128.db2.gz GZOAJVRZHVUWJV-HZPDHXFCSA-N 2 2 331.464 1.384 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275880376 268381130 /nfs/dbraw/zinc/38/11/30/268381130.db2.gz GZOAJVRZHVUWJV-HZPDHXFCSA-N 2 2 331.464 1.384 20 0 EDADLP CC[NH+](CC)CCC[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000276834417 268484530 /nfs/dbraw/zinc/48/45/30/268484530.db2.gz BKKKIYPAZDAUQW-OAHLLOKOSA-N 2 2 331.468 1.367 20 0 EDADLP CC[NH+](CC)CCC[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000276834417 268484531 /nfs/dbraw/zinc/48/45/31/268484531.db2.gz BKKKIYPAZDAUQW-OAHLLOKOSA-N 2 2 331.468 1.367 20 0 EDADLP Cc1ccncc1/C=C/C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000273179212 273032463 /nfs/dbraw/zinc/03/24/63/273032463.db2.gz JNXIVUHWCXJNSY-AATRIKPKSA-N 2 2 330.476 1.888 20 0 EDADLP Cc1ccncc1/C=C/C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000273179212 273032464 /nfs/dbraw/zinc/03/24/64/273032464.db2.gz JNXIVUHWCXJNSY-AATRIKPKSA-N 2 2 330.476 1.888 20 0 EDADLP CC[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000274247954 273079671 /nfs/dbraw/zinc/07/96/71/273079671.db2.gz SKNBDOWXPNVFKI-UHFFFAOYSA-N 2 2 332.452 1.101 20 0 EDADLP C[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCOCC1 ZINC000275732303 273123509 /nfs/dbraw/zinc/12/35/09/273123509.db2.gz XONWNIOBPIVPCZ-OAHLLOKOSA-N 2 2 334.464 1.633 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1cccnc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275771207 273127265 /nfs/dbraw/zinc/12/72/65/273127265.db2.gz SGPZNFVEOMSSDW-OAHLLOKOSA-N 2 2 325.416 1.600 20 0 EDADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000276024980 273142447 /nfs/dbraw/zinc/14/24/47/273142447.db2.gz PPPWLJGUEGDUSO-CQSZACIVSA-N 2 2 341.415 1.221 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000276024980 273142448 /nfs/dbraw/zinc/14/24/48/273142448.db2.gz PPPWLJGUEGDUSO-CQSZACIVSA-N 2 2 341.415 1.221 20 0 EDADLP Cc1noc([C@@]2(O)CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000277560218 273206800 /nfs/dbraw/zinc/20/68/00/273206800.db2.gz XBAXSVJIQURENP-QGZVFWFLSA-N 2 2 325.372 1.657 20 0 EDADLP Cc1noc([C@@]2(O)CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000277560218 273206802 /nfs/dbraw/zinc/20/68/02/273206802.db2.gz XBAXSVJIQURENP-QGZVFWFLSA-N 2 2 325.372 1.657 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000277813063 273227930 /nfs/dbraw/zinc/22/79/30/273227930.db2.gz VOFWNMLGBVTBRI-QGZVFWFLSA-N 2 2 346.475 1.453 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000279650138 273314404 /nfs/dbraw/zinc/31/44/04/273314404.db2.gz BTBQNKBCKBQUCO-CVEARBPZSA-N 2 2 339.867 1.957 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000279650138 273314405 /nfs/dbraw/zinc/31/44/05/273314405.db2.gz BTBQNKBCKBQUCO-CVEARBPZSA-N 2 2 339.867 1.957 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000279968821 273337576 /nfs/dbraw/zinc/33/75/76/273337576.db2.gz XHSKCEBGLBANDL-SZMVWBNQSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000279968821 273337577 /nfs/dbraw/zinc/33/75/77/273337577.db2.gz XHSKCEBGLBANDL-SZMVWBNQSA-N 2 2 331.460 1.392 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)[NH+](C)C)cc1 ZINC000280796576 273399592 /nfs/dbraw/zinc/39/95/92/273399592.db2.gz OZAMFXSASPTPRC-FUHWJXTLSA-N 2 2 343.475 1.750 20 0 EDADLP CC(C)[NH+](CCCNC(=O)C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC000283533483 273882628 /nfs/dbraw/zinc/88/26/28/273882628.db2.gz JVRNXCMKEBOZFQ-UHFFFAOYSA-N 2 2 337.468 1.015 20 0 EDADLP COC[C@](C)(CCO)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283908771 274006602 /nfs/dbraw/zinc/00/66/02/274006602.db2.gz BTICGLWKNPARLE-OALUTQOASA-N 2 2 336.476 1.655 20 0 EDADLP COC[C@](C)(CCO)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283908771 274006604 /nfs/dbraw/zinc/00/66/04/274006604.db2.gz BTICGLWKNPARLE-OALUTQOASA-N 2 2 336.476 1.655 20 0 EDADLP CC(C)(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000283911977 274007944 /nfs/dbraw/zinc/00/79/44/274007944.db2.gz BWEYZAWNVKUTFC-SJORKVTESA-N 2 2 333.476 1.767 20 0 EDADLP CC(C)(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000283911977 274007945 /nfs/dbraw/zinc/00/79/45/274007945.db2.gz BWEYZAWNVKUTFC-SJORKVTESA-N 2 2 333.476 1.767 20 0 EDADLP NC(=O)CC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000283911762 274007951 /nfs/dbraw/zinc/00/79/51/274007951.db2.gz BTOKUFNOTIHMQR-LJQANCHMSA-N 2 2 345.487 1.865 20 0 EDADLP NC(=O)CC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000283911762 274007952 /nfs/dbraw/zinc/00/79/52/274007952.db2.gz BTOKUFNOTIHMQR-LJQANCHMSA-N 2 2 345.487 1.865 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@H]21 ZINC000284634657 274273011 /nfs/dbraw/zinc/27/30/11/274273011.db2.gz VIWAYPRSJRRLRI-RTBURBONSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@H]21 ZINC000284634657 274273012 /nfs/dbraw/zinc/27/30/12/274273012.db2.gz VIWAYPRSJRRLRI-RTBURBONSA-N 2 2 343.471 1.828 20 0 EDADLP CC(C)(C)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(N)=O ZINC000285292780 274503349 /nfs/dbraw/zinc/50/33/49/274503349.db2.gz BHJFYJYLSGCFPS-KRWDZBQOSA-N 2 2 332.492 1.688 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3OC[C@@H]2C)CC1 ZINC000359871687 276359830 /nfs/dbraw/zinc/35/98/30/276359830.db2.gz JGCBDYKMYUNEES-HNNXBMFYSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3OC[C@@H]2C)CC1 ZINC000359871687 276359831 /nfs/dbraw/zinc/35/98/31/276359831.db2.gz JGCBDYKMYUNEES-HNNXBMFYSA-N 2 2 331.460 1.870 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343340170 276377652 /nfs/dbraw/zinc/37/76/52/276377652.db2.gz MWCXZUBXMKEOHN-SJORKVTESA-N 3 2 347.507 1.320 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343340170 276377653 /nfs/dbraw/zinc/37/76/53/276377653.db2.gz MWCXZUBXMKEOHN-SJORKVTESA-N 3 2 347.507 1.320 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCS(=O)(=O)C3)[nH+]c2)C1 ZINC000272313091 276783616 /nfs/dbraw/zinc/78/36/16/276783616.db2.gz UHDVGJVUXKUZTA-DZGCQCFKSA-N 2 2 338.477 1.211 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@]3(C)CCCS3)C2)CC1 ZINC000366121445 277028359 /nfs/dbraw/zinc/02/83/59/277028359.db2.gz DXVQOPUBDWTTPA-YOEHRIQHSA-N 2 2 340.537 1.740 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@]3(C)CCCS3)C2)CC1 ZINC000366121445 277028360 /nfs/dbraw/zinc/02/83/60/277028360.db2.gz DXVQOPUBDWTTPA-YOEHRIQHSA-N 2 2 340.537 1.740 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCc4ccccc43)C2)CC1 ZINC000369373487 277028403 /nfs/dbraw/zinc/02/84/03/277028403.db2.gz PMHCRZQJLJYAAG-INIZCTEOSA-N 2 2 328.460 1.927 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCc4ccccc43)C2)CC1 ZINC000369373487 277028404 /nfs/dbraw/zinc/02/84/04/277028404.db2.gz PMHCRZQJLJYAAG-INIZCTEOSA-N 2 2 328.460 1.927 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCOc4ccccc43)C2)CC1 ZINC000369264620 277028740 /nfs/dbraw/zinc/02/87/40/277028740.db2.gz CFQQHLUEXXYNBO-YJBOKZPZSA-N 2 2 343.471 1.837 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCOc4ccccc43)C2)CC1 ZINC000369264620 277028741 /nfs/dbraw/zinc/02/87/41/277028741.db2.gz CFQQHLUEXXYNBO-YJBOKZPZSA-N 2 2 343.471 1.837 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000268961925 277101993 /nfs/dbraw/zinc/10/19/93/277101993.db2.gz XLIZKXJNYJQTDL-NGEICVOHSA-N 2 2 342.487 1.655 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000268961925 277101994 /nfs/dbraw/zinc/10/19/94/277101994.db2.gz XLIZKXJNYJQTDL-NGEICVOHSA-N 2 2 342.487 1.655 20 0 EDADLP COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(C)n1 ZINC000368528787 277367653 /nfs/dbraw/zinc/36/76/53/277367653.db2.gz UJCBLWPGDJSLLQ-QGZVFWFLSA-N 2 2 346.475 1.639 20 0 EDADLP COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(C)n1 ZINC000368528787 277367655 /nfs/dbraw/zinc/36/76/55/277367655.db2.gz UJCBLWPGDJSLLQ-QGZVFWFLSA-N 2 2 346.475 1.639 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496782736 278013004 /nfs/dbraw/zinc/01/30/04/278013004.db2.gz WWYWLEZGHGCYMX-FMKPAKJESA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496782736 278013007 /nfs/dbraw/zinc/01/30/07/278013007.db2.gz WWYWLEZGHGCYMX-FMKPAKJESA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000496782736 278013009 /nfs/dbraw/zinc/01/30/09/278013009.db2.gz WWYWLEZGHGCYMX-FMKPAKJESA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000496782736 278013011 /nfs/dbraw/zinc/01/30/11/278013011.db2.gz WWYWLEZGHGCYMX-FMKPAKJESA-N 2 2 341.496 1.677 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186648568 278069782 /nfs/dbraw/zinc/06/97/82/278069782.db2.gz XGGPVAQFZLATCU-ZDUSSCGKSA-N 2 2 334.420 1.409 20 0 EDADLP CC(C)c1nnc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C ZINC000375901668 278099729 /nfs/dbraw/zinc/09/97/29/278099729.db2.gz CMVPRUIDOFWWGG-INIZCTEOSA-N 2 2 334.512 1.539 20 0 EDADLP CC(C)c1nnc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C ZINC000375901668 278099732 /nfs/dbraw/zinc/09/97/32/278099732.db2.gz CMVPRUIDOFWWGG-INIZCTEOSA-N 2 2 334.512 1.539 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000114372296 278231762 /nfs/dbraw/zinc/23/17/62/278231762.db2.gz IPESAAHJWKKMEY-FUHWJXTLSA-N 2 2 333.476 1.386 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000193121910 278868752 /nfs/dbraw/zinc/86/87/52/278868752.db2.gz KOHNNZMXGPVRBA-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000369079469 279028336 /nfs/dbraw/zinc/02/83/36/279028336.db2.gz VIITXDNMBNIJCF-SFHVURJKSA-N 2 2 346.475 1.856 20 0 EDADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000369079469 279028338 /nfs/dbraw/zinc/02/83/38/279028338.db2.gz VIITXDNMBNIJCF-SFHVURJKSA-N 2 2 346.475 1.856 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000369810770 279097350 /nfs/dbraw/zinc/09/73/50/279097350.db2.gz QUGILXHEYCTALQ-HNNXBMFYSA-N 2 2 336.484 1.150 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354415022 279124307 /nfs/dbraw/zinc/12/43/07/279124307.db2.gz YMFLGLDBKIBTJH-FUHWJXTLSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354415022 279124308 /nfs/dbraw/zinc/12/43/08/279124308.db2.gz YMFLGLDBKIBTJH-FUHWJXTLSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310253190 279218538 /nfs/dbraw/zinc/21/85/38/279218538.db2.gz KROOTTAZGGUBSK-VNQPRFMTSA-N 2 2 330.432 1.024 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310253190 279218540 /nfs/dbraw/zinc/21/85/40/279218540.db2.gz KROOTTAZGGUBSK-VNQPRFMTSA-N 2 2 330.432 1.024 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310253190 279218541 /nfs/dbraw/zinc/21/85/41/279218541.db2.gz KROOTTAZGGUBSK-VNQPRFMTSA-N 2 2 330.432 1.024 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310253190 279218544 /nfs/dbraw/zinc/21/85/44/279218544.db2.gz KROOTTAZGGUBSK-VNQPRFMTSA-N 2 2 330.432 1.024 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000344884980 279271546 /nfs/dbraw/zinc/27/15/46/279271546.db2.gz LZDCHUXPCAWUQM-BRWVUGGUSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000344884980 279271547 /nfs/dbraw/zinc/27/15/47/279271547.db2.gz LZDCHUXPCAWUQM-BRWVUGGUSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357184022 279388656 /nfs/dbraw/zinc/38/86/56/279388656.db2.gz GXFIZWYHYBOZSL-ROUUACIJSA-N 2 2 331.460 1.092 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357184022 279388658 /nfs/dbraw/zinc/38/86/58/279388658.db2.gz GXFIZWYHYBOZSL-ROUUACIJSA-N 2 2 331.460 1.092 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357184022 279388660 /nfs/dbraw/zinc/38/86/60/279388660.db2.gz GXFIZWYHYBOZSL-ROUUACIJSA-N 2 2 331.460 1.092 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357184022 279388662 /nfs/dbraw/zinc/38/86/62/279388662.db2.gz GXFIZWYHYBOZSL-ROUUACIJSA-N 2 2 331.460 1.092 20 0 EDADLP C[C@]([NH3+])(C(=O)N1CCn2cc[nH+]c2C1)c1ccc(Br)cc1 ZINC000261837210 280140671 /nfs/dbraw/zinc/14/06/71/280140671.db2.gz UODMCOVUDCNYND-OAHLLOKOSA-N 2 2 349.232 1.862 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2[nH+]c(C)n3c2CCCC3)CC1 ZINC000371778778 280204698 /nfs/dbraw/zinc/20/46/98/280204698.db2.gz UGDJCLCBLDOFGH-OAHLLOKOSA-N 2 2 349.479 1.126 20 0 EDADLP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1CC(C)C ZINC000371390339 280218678 /nfs/dbraw/zinc/21/86/78/280218678.db2.gz WJUMKQMBSMFGLL-INIZCTEOSA-N 2 2 347.507 1.746 20 0 EDADLP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1CC(C)C ZINC000371390339 280218679 /nfs/dbraw/zinc/21/86/79/280218679.db2.gz WJUMKQMBSMFGLL-INIZCTEOSA-N 2 2 347.507 1.746 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C(N)=O)O1 ZINC000411316308 288215479 /nfs/dbraw/zinc/21/54/79/288215479.db2.gz LJWPXUHWVIPHLJ-QAPCUYQASA-N 2 2 331.460 1.747 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C(N)=O)O1 ZINC000411316308 288215481 /nfs/dbraw/zinc/21/54/81/288215481.db2.gz LJWPXUHWVIPHLJ-QAPCUYQASA-N 2 2 331.460 1.747 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000287698866 288299071 /nfs/dbraw/zinc/29/90/71/288299071.db2.gz KEVDOGNINMBANP-XZJROXQQSA-N 2 2 340.418 1.959 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000287698866 288299072 /nfs/dbraw/zinc/29/90/72/288299072.db2.gz KEVDOGNINMBANP-XZJROXQQSA-N 2 2 340.418 1.959 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN(C)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000346463060 288342149 /nfs/dbraw/zinc/34/21/49/288342149.db2.gz MGZKDRMFISQZFK-HOJAQTOUSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN(C)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000346463060 288342152 /nfs/dbraw/zinc/34/21/52/288342152.db2.gz MGZKDRMFISQZFK-HOJAQTOUSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000346463060 288342154 /nfs/dbraw/zinc/34/21/54/288342154.db2.gz MGZKDRMFISQZFK-HOJAQTOUSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000346463060 288342155 /nfs/dbraw/zinc/34/21/55/288342155.db2.gz MGZKDRMFISQZFK-HOJAQTOUSA-N 2 2 347.503 1.711 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000287947045 288363743 /nfs/dbraw/zinc/36/37/43/288363743.db2.gz SRBUHZNVLPIJHW-ROUUACIJSA-N 2 2 346.475 1.405 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000287947045 288363744 /nfs/dbraw/zinc/36/37/44/288363744.db2.gz SRBUHZNVLPIJHW-ROUUACIJSA-N 2 2 346.475 1.405 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176635648 282051409 /nfs/dbraw/zinc/05/14/09/282051409.db2.gz UOOHUXWWYPXNEO-RDJZCZTQSA-N 3 2 339.528 1.184 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000359230033 288632184 /nfs/dbraw/zinc/63/21/84/288632184.db2.gz OZURUJKGGKSPOQ-KGLIPLIRSA-N 2 2 330.432 1.563 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](C)OC ZINC000291136470 289007040 /nfs/dbraw/zinc/00/70/40/289007040.db2.gz CIRUKOTZUZTHTG-INIZCTEOSA-N 2 2 349.475 1.814 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](C)OC ZINC000291136470 289007041 /nfs/dbraw/zinc/00/70/41/289007041.db2.gz CIRUKOTZUZTHTG-INIZCTEOSA-N 2 2 349.475 1.814 20 0 EDADLP C[NH+]1CCC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000174551223 289871397 /nfs/dbraw/zinc/87/13/97/289871397.db2.gz QKYLMDGNHWENHQ-GOSISDBHSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000246061298 290178160 /nfs/dbraw/zinc/17/81/60/290178160.db2.gz ZDQKGVIOVSCYTR-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000246061298 290178161 /nfs/dbraw/zinc/17/81/61/290178161.db2.gz ZDQKGVIOVSCYTR-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000246061298 290178162 /nfs/dbraw/zinc/17/81/62/290178162.db2.gz ZDQKGVIOVSCYTR-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000246061298 290178163 /nfs/dbraw/zinc/17/81/63/290178163.db2.gz ZDQKGVIOVSCYTR-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000332533981 293298802 /nfs/dbraw/zinc/29/88/02/293298802.db2.gz IEHFAMHQFKFVNY-BBRMVZONSA-N 2 2 347.463 1.960 20 0 EDADLP C[C@@H]1C[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C[C@@H](C)S1 ZINC000496938428 297010294 /nfs/dbraw/zinc/01/02/94/297010294.db2.gz MHQKPEVVYCZTLS-XJKCOSOUSA-N 2 2 325.478 1.686 20 0 EDADLP [NH3+]CC[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000442597302 295240349 /nfs/dbraw/zinc/24/03/49/295240349.db2.gz JCTUWZKIXCQMNH-MRXNPFEDSA-N 2 2 331.460 1.720 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000376323239 297264516 /nfs/dbraw/zinc/26/45/16/297264516.db2.gz PNLZXHZVRTWVHN-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000376323239 297264518 /nfs/dbraw/zinc/26/45/18/297264518.db2.gz PNLZXHZVRTWVHN-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1cc(Cl)ccc1OCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653077978 453256941 /nfs/dbraw/zinc/25/69/41/453256941.db2.gz QQCOFYBFQKGYOH-CQSZACIVSA-N 2 2 327.856 1.813 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@H](C)C[NH3+])cc1 ZINC000416879139 301790888 /nfs/dbraw/zinc/79/08/88/301790888.db2.gz CRVPCZOOJQUZKC-WBVHZDCISA-N 2 2 334.464 1.262 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000294688075 303136261 /nfs/dbraw/zinc/13/62/61/303136261.db2.gz FSPAEYBPQIKDNS-CQSZACIVSA-N 2 2 337.439 1.867 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000295270909 303197549 /nfs/dbraw/zinc/19/75/49/303197549.db2.gz VPSFTSLPCNCAEE-PBHICJAKSA-N 2 2 333.432 1.091 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](Cn2cccn2)C(C)C)nc[nH+]1 ZINC000296778041 303337103 /nfs/dbraw/zinc/33/71/03/303337103.db2.gz KRERDOJIBLPQEB-HOTGVXAUSA-N 2 2 343.479 1.998 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000372496378 303642757 /nfs/dbraw/zinc/64/27/57/303642757.db2.gz LKNUQSYOSCUAAO-MJGOQNOKSA-N 2 2 345.487 1.956 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456234065 447345077 /nfs/dbraw/zinc/34/50/77/447345077.db2.gz ZNIAKPWGQAKKOG-GASCZTMLSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456234065 447345085 /nfs/dbraw/zinc/34/50/85/447345085.db2.gz ZNIAKPWGQAKKOG-GASCZTMLSA-N 2 2 344.459 1.512 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423050764 304884134 /nfs/dbraw/zinc/88/41/34/304884134.db2.gz LZNRZVSWYXEDEY-GXTWGEPZSA-N 2 2 347.381 1.922 20 0 EDADLP CC1(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C[NH2+]C1 ZINC000423301587 304891706 /nfs/dbraw/zinc/89/17/06/304891706.db2.gz HVRFKLHWYRGVHK-UHFFFAOYSA-N 2 2 337.851 1.473 20 0 EDADLP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)CC1 ZINC000423835796 304911539 /nfs/dbraw/zinc/91/15/39/304911539.db2.gz DVMFNQUFKYBRKA-INIZCTEOSA-N 2 2 334.489 1.818 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923198 304917179 /nfs/dbraw/zinc/91/71/79/304917179.db2.gz BQELKBDNHJSWIL-GJZGRUSLSA-N 2 2 348.447 1.025 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428028770 305004297 /nfs/dbraw/zinc/00/42/97/305004297.db2.gz AURYRTTVQASJRA-PBHICJAKSA-N 2 2 338.473 1.543 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428028770 305004298 /nfs/dbraw/zinc/00/42/98/305004298.db2.gz AURYRTTVQASJRA-PBHICJAKSA-N 2 2 338.473 1.543 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038623 305005125 /nfs/dbraw/zinc/00/51/25/305005125.db2.gz OLHDXJAZUPDWEX-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428038623 305005126 /nfs/dbraw/zinc/00/51/26/305005126.db2.gz OLHDXJAZUPDWEX-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1OC ZINC000428040872 305005157 /nfs/dbraw/zinc/00/51/57/305005157.db2.gz YMIRTIQTFRGWMO-GOEBONIOSA-N 2 2 347.459 1.346 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1OC ZINC000428040872 305005158 /nfs/dbraw/zinc/00/51/58/305005158.db2.gz YMIRTIQTFRGWMO-GOEBONIOSA-N 2 2 347.459 1.346 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000428058453 305006107 /nfs/dbraw/zinc/00/61/07/305006107.db2.gz YVBRNDQSHXLACV-NJAFHUGGSA-N 2 2 347.434 1.409 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000428058453 305006108 /nfs/dbraw/zinc/00/61/08/305006108.db2.gz YVBRNDQSHXLACV-NJAFHUGGSA-N 2 2 347.434 1.409 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)ccc2[nH+]1 ZINC000429803467 305037448 /nfs/dbraw/zinc/03/74/48/305037448.db2.gz QUZDCLPQHPFYGB-UHFFFAOYSA-N 2 2 345.447 1.627 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000430588971 305057472 /nfs/dbraw/zinc/05/74/72/305057472.db2.gz GNOKAXKSUXJWAK-SFHVURJKSA-N 2 2 332.448 1.480 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1)C1CC1 ZINC000430590482 305057486 /nfs/dbraw/zinc/05/74/86/305057486.db2.gz CKEPJOBMMAJPAT-IBGZPJMESA-N 2 2 341.459 1.248 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000430616910 305059350 /nfs/dbraw/zinc/05/93/50/305059350.db2.gz IOHMEQROBQXODF-CQSZACIVSA-N 2 2 345.422 1.929 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000430616910 305059351 /nfs/dbraw/zinc/05/93/51/305059351.db2.gz IOHMEQROBQXODF-CQSZACIVSA-N 2 2 345.422 1.929 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CC[NH2+]CC1 ZINC000430628575 305060199 /nfs/dbraw/zinc/06/01/99/305060199.db2.gz NLZSUPIGECYHEG-UHFFFAOYSA-N 2 2 330.432 1.201 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CC[NH2+]CC1 ZINC000430628575 305060200 /nfs/dbraw/zinc/06/02/00/305060200.db2.gz NLZSUPIGECYHEG-UHFFFAOYSA-N 2 2 330.432 1.201 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000430660088 305061612 /nfs/dbraw/zinc/06/16/12/305061612.db2.gz CNBLKXSPBRZHSA-HLLBOEOZSA-N 2 2 331.460 1.946 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000430660088 305061613 /nfs/dbraw/zinc/06/16/13/305061613.db2.gz CNBLKXSPBRZHSA-HLLBOEOZSA-N 2 2 331.460 1.946 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000430703912 305062982 /nfs/dbraw/zinc/06/29/82/305062982.db2.gz WIJSZDPQNLNZCJ-GOSISDBHSA-N 2 2 340.427 1.875 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000430741850 305063879 /nfs/dbraw/zinc/06/38/79/305063879.db2.gz FEQVEPSUSREXSY-CPUCHLNUSA-N 2 2 335.448 1.311 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430931045 305068867 /nfs/dbraw/zinc/06/88/67/305068867.db2.gz CDNTVMIDVXWHJY-KBPBESRZSA-N 2 2 333.432 1.716 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430931045 305068868 /nfs/dbraw/zinc/06/88/68/305068868.db2.gz CDNTVMIDVXWHJY-KBPBESRZSA-N 2 2 333.432 1.716 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC[C@H]1[NH3+] ZINC000430974414 305071749 /nfs/dbraw/zinc/07/17/49/305071749.db2.gz ZHSVKGSCXGEXAT-GDBMZVCRSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC[C@H]1[NH3+] ZINC000430974414 305071750 /nfs/dbraw/zinc/07/17/50/305071750.db2.gz ZHSVKGSCXGEXAT-GDBMZVCRSA-N 2 2 331.464 1.680 20 0 EDADLP COCC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]C1 ZINC000431054932 305073858 /nfs/dbraw/zinc/07/38/58/305073858.db2.gz VJVPKHXKFWVDOA-GOSISDBHSA-N 2 2 346.406 1.644 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000432132125 305087939 /nfs/dbraw/zinc/08/79/39/305087939.db2.gz ZIURFLUEDMLMEV-CYBMUJFWSA-N 2 2 336.436 1.077 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000432132125 305087940 /nfs/dbraw/zinc/08/79/40/305087940.db2.gz ZIURFLUEDMLMEV-CYBMUJFWSA-N 2 2 336.436 1.077 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000433132335 305101387 /nfs/dbraw/zinc/10/13/87/305101387.db2.gz BMWXSIVEBYJFJF-CABCVRRESA-N 2 2 339.505 1.811 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)NCCCNc2cccc[nH+]2)CCCO1 ZINC000433294646 305105143 /nfs/dbraw/zinc/10/51/43/305105143.db2.gz NAWDYUULBZBOSO-INIZCTEOSA-N 2 2 349.479 1.684 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)NCCCNc2cccc[nH+]2)CCCO1 ZINC000433294646 305105144 /nfs/dbraw/zinc/10/51/44/305105144.db2.gz NAWDYUULBZBOSO-INIZCTEOSA-N 2 2 349.479 1.684 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000433928902 305114880 /nfs/dbraw/zinc/11/48/80/305114880.db2.gz BKVSISDQSLMQQL-BRWVUGGUSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000433928902 305114881 /nfs/dbraw/zinc/11/48/81/305114881.db2.gz BKVSISDQSLMQQL-BRWVUGGUSA-N 2 2 340.512 1.469 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434095945 305117855 /nfs/dbraw/zinc/11/78/55/305117855.db2.gz NONRKIPJIRBDIX-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@@H](CCNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000434331809 305120690 /nfs/dbraw/zinc/12/06/90/305120690.db2.gz DVUIIACNUXJEGJ-INIZCTEOSA-N 2 2 338.496 1.415 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000434491681 305123374 /nfs/dbraw/zinc/12/33/74/305123374.db2.gz CXWKLJRWINHPHY-GDBMZVCRSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000434491681 305123375 /nfs/dbraw/zinc/12/33/75/305123375.db2.gz CXWKLJRWINHPHY-GDBMZVCRSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000434491681 305123376 /nfs/dbraw/zinc/12/33/76/305123376.db2.gz CXWKLJRWINHPHY-GDBMZVCRSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000434491681 305123377 /nfs/dbraw/zinc/12/33/77/305123377.db2.gz CXWKLJRWINHPHY-GDBMZVCRSA-N 2 2 348.516 1.969 20 0 EDADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000435384695 305139450 /nfs/dbraw/zinc/13/94/50/305139450.db2.gz NQHLTBGCEMNIPM-CQSZACIVSA-N 2 2 341.883 1.830 20 0 EDADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000435384695 305139451 /nfs/dbraw/zinc/13/94/51/305139451.db2.gz NQHLTBGCEMNIPM-CQSZACIVSA-N 2 2 341.883 1.830 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435564144 305142423 /nfs/dbraw/zinc/14/24/23/305142423.db2.gz BQTUOQULEMOJLD-DLTWYDFYSA-N 2 2 328.460 1.937 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435628567 305143920 /nfs/dbraw/zinc/14/39/20/305143920.db2.gz VDGQDNAPLHELHR-CQSZACIVSA-N 2 2 334.420 1.417 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435628567 305143921 /nfs/dbraw/zinc/14/39/21/305143921.db2.gz VDGQDNAPLHELHR-CQSZACIVSA-N 2 2 334.420 1.417 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c(C)c1 ZINC000436055687 305151448 /nfs/dbraw/zinc/15/14/48/305151448.db2.gz RPNDUTOSAAJBCK-MRXNPFEDSA-N 2 2 346.475 1.561 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c(C)c1 ZINC000436055687 305151449 /nfs/dbraw/zinc/15/14/49/305151449.db2.gz RPNDUTOSAAJBCK-MRXNPFEDSA-N 2 2 346.475 1.561 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@H](O)CC1 ZINC000439302676 305196271 /nfs/dbraw/zinc/19/62/71/305196271.db2.gz VDTNOPWDVJCRPT-QAQDUYKDSA-N 2 2 346.475 1.356 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@H](O)CC1 ZINC000439302676 305196272 /nfs/dbraw/zinc/19/62/72/305196272.db2.gz VDTNOPWDVJCRPT-QAQDUYKDSA-N 2 2 346.475 1.356 20 0 EDADLP CO[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000441370934 305221518 /nfs/dbraw/zinc/22/15/18/305221518.db2.gz JHOUVRZKLKZABW-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP CO[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000441370934 305221519 /nfs/dbraw/zinc/22/15/19/305221519.db2.gz JHOUVRZKLKZABW-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000447432297 305280103 /nfs/dbraw/zinc/28/01/03/305280103.db2.gz SYCZOVQWODQIED-UHFFFAOYSA-N 2 2 338.521 1.567 20 0 EDADLP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000450383361 305329588 /nfs/dbraw/zinc/32/95/88/305329588.db2.gz ZPKRNIVMZNGQNV-AEFFLSMTSA-N 2 2 328.460 1.702 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)C2 ZINC000452382140 305395567 /nfs/dbraw/zinc/39/55/67/305395567.db2.gz LEUMVAFRHHNQMV-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)C2 ZINC000452382140 305395568 /nfs/dbraw/zinc/39/55/68/305395568.db2.gz LEUMVAFRHHNQMV-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)CC2 ZINC000452382140 305395569 /nfs/dbraw/zinc/39/55/69/305395569.db2.gz LEUMVAFRHHNQMV-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)CC2 ZINC000452382140 305395570 /nfs/dbraw/zinc/39/55/70/305395570.db2.gz LEUMVAFRHHNQMV-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cn1 ZINC000514665815 305701264 /nfs/dbraw/zinc/70/12/64/305701264.db2.gz VCMXTEOQPAPGDB-DGCLKSJQSA-N 2 2 328.254 1.951 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000522226394 305801744 /nfs/dbraw/zinc/80/17/44/305801744.db2.gz SBKCFQHVEBIEIF-UHFFFAOYSA-N 2 2 334.468 1.110 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(CC(=O)OC)nn2)C1 ZINC000449027727 447362237 /nfs/dbraw/zinc/36/22/37/447362237.db2.gz MILNIEKPPHSCON-CQSZACIVSA-N 2 2 332.408 1.047 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(CC(=O)OC)nn2)C1 ZINC000449027727 447362242 /nfs/dbraw/zinc/36/22/42/447362242.db2.gz MILNIEKPPHSCON-CQSZACIVSA-N 2 2 332.408 1.047 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000528673999 305883214 /nfs/dbraw/zinc/88/32/14/305883214.db2.gz BJKISVYCEPVYNZ-GOSISDBHSA-N 2 2 346.475 1.981 20 0 EDADLP Cn1ccc2c1cccc2C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000531131408 305953396 /nfs/dbraw/zinc/95/33/96/305953396.db2.gz JOHCRUKETBUSKF-UHFFFAOYSA-N 2 2 328.460 1.934 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000534580133 306008123 /nfs/dbraw/zinc/00/81/23/306008123.db2.gz SORGOFLHLAFFBM-HOCLYGCPSA-N 2 2 333.407 1.926 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000534580133 306008124 /nfs/dbraw/zinc/00/81/24/306008124.db2.gz SORGOFLHLAFFBM-HOCLYGCPSA-N 2 2 333.407 1.926 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000536068151 306019352 /nfs/dbraw/zinc/01/93/52/306019352.db2.gz TUPPVHBFCVIVGK-CQSZACIVSA-N 2 2 342.399 1.635 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000536068151 306019353 /nfs/dbraw/zinc/01/93/53/306019353.db2.gz TUPPVHBFCVIVGK-CQSZACIVSA-N 2 2 342.399 1.635 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000536068177 306019396 /nfs/dbraw/zinc/01/93/96/306019396.db2.gz UXHILUMRDNLNLH-HNNXBMFYSA-N 2 2 348.472 1.660 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000536068177 306019397 /nfs/dbraw/zinc/01/93/97/306019397.db2.gz UXHILUMRDNLNLH-HNNXBMFYSA-N 2 2 348.472 1.660 20 0 EDADLP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC(n2cc[nH+]c2)C1 ZINC000542353187 306053088 /nfs/dbraw/zinc/05/30/88/306053088.db2.gz OBNDSHAYQSJJQE-GOSISDBHSA-N 2 2 340.427 1.464 20 0 EDADLP CN(CCC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cc[nH+]cc1 ZINC000543716145 306067775 /nfs/dbraw/zinc/06/77/75/306067775.db2.gz BHCTUDQGCSBZEY-UHFFFAOYSA-N 2 2 339.443 1.647 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000547720985 306109834 /nfs/dbraw/zinc/10/98/34/306109834.db2.gz FQTHYPYELNKNNV-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000547720985 306109835 /nfs/dbraw/zinc/10/98/35/306109835.db2.gz FQTHYPYELNKNNV-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000547863977 306113915 /nfs/dbraw/zinc/11/39/15/306113915.db2.gz MYTUYLJSJQXSTN-HNNXBMFYSA-N 2 2 343.475 1.487 20 0 EDADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1COc2ccccc2O1 ZINC000555880228 306206828 /nfs/dbraw/zinc/20/68/28/306206828.db2.gz IPSHPZCYWWFRSY-JKSUJKDBSA-N 2 2 338.448 1.087 20 0 EDADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1COc2ccccc2O1 ZINC000555880228 306206829 /nfs/dbraw/zinc/20/68/29/306206829.db2.gz IPSHPZCYWWFRSY-JKSUJKDBSA-N 2 2 338.448 1.087 20 0 EDADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@@H]1COc2ccccc2O1 ZINC000555880228 306206830 /nfs/dbraw/zinc/20/68/30/306206830.db2.gz IPSHPZCYWWFRSY-JKSUJKDBSA-N 2 2 338.448 1.087 20 0 EDADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@@H]1COc2ccccc2O1 ZINC000555880228 306206831 /nfs/dbraw/zinc/20/68/31/306206831.db2.gz IPSHPZCYWWFRSY-JKSUJKDBSA-N 2 2 338.448 1.087 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000557339410 306227472 /nfs/dbraw/zinc/22/74/72/306227472.db2.gz RESFIEQJAFGOTA-KRWDZBQOSA-N 2 2 342.447 1.629 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000557339410 306227473 /nfs/dbraw/zinc/22/74/73/306227473.db2.gz RESFIEQJAFGOTA-KRWDZBQOSA-N 2 2 342.447 1.629 20 0 EDADLP C[C@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[NH+]1CC(C)C1 ZINC000557563260 306229455 /nfs/dbraw/zinc/22/94/55/306229455.db2.gz KIQVVUPKZFVXHS-RHSMWYFYSA-N 2 2 344.459 1.415 20 0 EDADLP C[C@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)[NH+]1CC(C)C1 ZINC000557563260 306229456 /nfs/dbraw/zinc/22/94/56/306229456.db2.gz KIQVVUPKZFVXHS-RHSMWYFYSA-N 2 2 344.459 1.415 20 0 EDADLP COC[C@]1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]1 ZINC000414945340 447367969 /nfs/dbraw/zinc/36/79/69/447367969.db2.gz QGOOKWQSQMULBJ-MRXNPFEDSA-N 2 2 326.824 1.969 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000422142165 447369668 /nfs/dbraw/zinc/36/96/68/447369668.db2.gz QEWQQGGSTCBVCN-UONOGXRCSA-N 2 2 333.436 1.016 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000422142165 447369674 /nfs/dbraw/zinc/36/96/74/447369674.db2.gz QEWQQGGSTCBVCN-UONOGXRCSA-N 2 2 333.436 1.016 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000414954969 447372117 /nfs/dbraw/zinc/37/21/17/447372117.db2.gz MERNNYWDZFKEIQ-UHFFFAOYSA-N 2 2 332.448 1.782 20 0 EDADLP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc(Cl)c1OC ZINC000414964762 447377067 /nfs/dbraw/zinc/37/70/67/447377067.db2.gz MUADWBHBBGUVAC-ZDUSSCGKSA-N 2 2 327.856 1.741 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000414993733 447386109 /nfs/dbraw/zinc/38/61/09/447386109.db2.gz UBDJPXBZPUWWAJ-AWEZNQCLSA-N 2 2 333.436 1.229 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCCC2(F)F)CC1 ZINC000458585522 447423036 /nfs/dbraw/zinc/42/30/36/447423036.db2.gz IIJQSTAKRAERNS-ZDUSSCGKSA-N 2 2 332.439 1.747 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000426384433 447431626 /nfs/dbraw/zinc/43/16/26/447431626.db2.gz YQXLYXHZUPQMII-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000426384433 447431630 /nfs/dbraw/zinc/43/16/30/447431630.db2.gz YQXLYXHZUPQMII-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000047886031 441234461 /nfs/dbraw/zinc/23/44/61/441234461.db2.gz LDQBJAHTIYOPQO-GOSISDBHSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000105167305 441239583 /nfs/dbraw/zinc/23/95/83/441239583.db2.gz WOIORKHCPVBESW-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP COCC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000048023795 441251856 /nfs/dbraw/zinc/25/18/56/441251856.db2.gz MNXUXMCXPCKPKQ-UHFFFAOYSA-N 2 2 347.459 1.568 20 0 EDADLP COCC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000048023795 441251859 /nfs/dbraw/zinc/25/18/59/441251859.db2.gz MNXUXMCXPCKPKQ-UHFFFAOYSA-N 2 2 347.459 1.568 20 0 EDADLP C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000081485414 441277169 /nfs/dbraw/zinc/27/71/69/441277169.db2.gz HWBZWCXLTWMMDA-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000081485414 441277171 /nfs/dbraw/zinc/27/71/71/441277171.db2.gz HWBZWCXLTWMMDA-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000081485414 441277174 /nfs/dbraw/zinc/27/71/74/441277174.db2.gz HWBZWCXLTWMMDA-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000081485414 441277175 /nfs/dbraw/zinc/27/71/75/441277175.db2.gz HWBZWCXLTWMMDA-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000073628148 441336175 /nfs/dbraw/zinc/33/61/75/441336175.db2.gz QSVLWHUVMBXXSW-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000073628148 441336177 /nfs/dbraw/zinc/33/61/77/441336177.db2.gz QSVLWHUVMBXXSW-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000049007277 441341352 /nfs/dbraw/zinc/34/13/52/441341352.db2.gz QBIUMVZRTCQHHS-CQSZACIVSA-N 2 2 330.436 1.797 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876133 441303481 /nfs/dbraw/zinc/30/34/81/441303481.db2.gz JBXHZJKQQYULMD-CYBMUJFWSA-N 2 2 328.420 1.492 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000106518019 441349423 /nfs/dbraw/zinc/34/94/23/441349423.db2.gz GOJGIERGKLLOKU-MRXNPFEDSA-N 2 2 339.528 1.186 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106543716 441353341 /nfs/dbraw/zinc/35/33/41/441353341.db2.gz ZVKBNPGXRJBAHU-IXDOHACOSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106543716 441353346 /nfs/dbraw/zinc/35/33/46/441353346.db2.gz ZVKBNPGXRJBAHU-IXDOHACOSA-N 2 2 339.528 1.042 20 0 EDADLP CC(C)(CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000075665492 441546835 /nfs/dbraw/zinc/54/68/35/441546835.db2.gz HTUCYVSCFWACGA-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000066178064 441509913 /nfs/dbraw/zinc/50/99/13/441509913.db2.gz MYSUNVALPKBKMR-HNNXBMFYSA-N 2 2 349.479 1.448 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000066178064 441509919 /nfs/dbraw/zinc/50/99/19/441509919.db2.gz MYSUNVALPKBKMR-HNNXBMFYSA-N 2 2 349.479 1.448 20 0 EDADLP COCC[N@H+](C)CCNC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000066195505 441511863 /nfs/dbraw/zinc/51/18/63/441511863.db2.gz XHPILTLZNYXZSS-UHFFFAOYSA-N 2 2 349.479 1.270 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000066195505 441511865 /nfs/dbraw/zinc/51/18/65/441511865.db2.gz XHPILTLZNYXZSS-UHFFFAOYSA-N 2 2 349.479 1.270 20 0 EDADLP c1cncc(C[NH+]2CCC([NH2+]C[C@@H]3CN(C4CC4)CCO3)CC2)c1 ZINC000089678482 441569056 /nfs/dbraw/zinc/56/90/56/441569056.db2.gz QATSPHXZHBZGSV-LJQANCHMSA-N 2 2 330.476 1.499 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000054509829 441582081 /nfs/dbraw/zinc/58/20/81/441582081.db2.gz POZGUQFAZZWHAY-INIZCTEOSA-N 2 2 334.464 1.839 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000054509829 441582087 /nfs/dbraw/zinc/58/20/87/441582087.db2.gz POZGUQFAZZWHAY-INIZCTEOSA-N 2 2 334.464 1.839 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000113512926 441612473 /nfs/dbraw/zinc/61/24/73/441612473.db2.gz STELJZZXLCPWDA-CQSZACIVSA-N 2 2 341.402 1.788 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000113512926 441612480 /nfs/dbraw/zinc/61/24/80/441612480.db2.gz STELJZZXLCPWDA-CQSZACIVSA-N 2 2 341.402 1.788 20 0 EDADLP C[C@H](CCN1CCOCC1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000090046933 441617021 /nfs/dbraw/zinc/61/70/21/441617021.db2.gz YZCYTYMATFJMKK-QGZVFWFLSA-N 2 2 332.492 1.746 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000076573079 441659955 /nfs/dbraw/zinc/65/99/55/441659955.db2.gz VIAZZIFSDFWOBE-GOSISDBHSA-N 2 2 333.476 1.826 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000121461865 441710242 /nfs/dbraw/zinc/71/02/42/441710242.db2.gz ZCRHWUCISAQOME-INIZCTEOSA-N 2 2 342.447 1.945 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000091181341 441668247 /nfs/dbraw/zinc/66/82/47/441668247.db2.gz YAUFOAKFVLVHRF-UHFFFAOYSA-N 2 2 347.463 1.786 20 0 EDADLP CC[N@H+]1CCCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000091181341 441668252 /nfs/dbraw/zinc/66/82/52/441668252.db2.gz YAUFOAKFVLVHRF-UHFFFAOYSA-N 2 2 347.463 1.786 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068550546 441820395 /nfs/dbraw/zinc/82/03/95/441820395.db2.gz UTGOGMOXFVZLND-UHFFFAOYSA-N 2 2 342.443 1.844 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)CC[C@@H](C)O)CC2)cc1 ZINC000173571575 441795589 /nfs/dbraw/zinc/79/55/89/441795589.db2.gz ODLYIKUYEGKQLC-MRXNPFEDSA-N 2 2 349.475 1.042 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CC[C@@H](C)O)CC2)cc1 ZINC000173571575 441795597 /nfs/dbraw/zinc/79/55/97/441795597.db2.gz ODLYIKUYEGKQLC-MRXNPFEDSA-N 2 2 349.475 1.042 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000121860786 441796722 /nfs/dbraw/zinc/79/67/22/441796722.db2.gz DGMDDRLISVDKHQ-ZBFHGGJFSA-N 2 2 343.475 1.975 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000121860786 441796732 /nfs/dbraw/zinc/79/67/32/441796732.db2.gz DGMDDRLISVDKHQ-ZBFHGGJFSA-N 2 2 343.475 1.975 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NCCC[NH+](C)C)c[nH+]2)CCO1 ZINC000042922089 441799197 /nfs/dbraw/zinc/79/91/97/441799197.db2.gz DXJPFSYIPCQTQH-CQSZACIVSA-N 2 2 335.452 1.058 20 0 EDADLP CCOC(=O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159327948 441804725 /nfs/dbraw/zinc/80/47/25/441804725.db2.gz OYKYQXYFSGZHES-UHFFFAOYSA-N 2 2 339.480 1.254 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000122668249 441858303 /nfs/dbraw/zinc/85/83/03/441858303.db2.gz PHJGWZNJOUGRFH-GOSISDBHSA-N 2 2 342.443 1.681 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000122668249 441858308 /nfs/dbraw/zinc/85/83/08/441858308.db2.gz PHJGWZNJOUGRFH-GOSISDBHSA-N 2 2 342.443 1.681 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000043311724 441833587 /nfs/dbraw/zinc/83/35/87/441833587.db2.gz SVCFBEZDDJKDOY-UHFFFAOYSA-N 2 2 327.432 1.453 20 0 EDADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078146823 441903848 /nfs/dbraw/zinc/90/38/48/441903848.db2.gz BUJLKLFIQOKONN-FUHWJXTLSA-N 2 2 342.443 1.679 20 0 EDADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078146823 441903850 /nfs/dbraw/zinc/90/38/50/441903850.db2.gz BUJLKLFIQOKONN-FUHWJXTLSA-N 2 2 342.443 1.679 20 0 EDADLP NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174239463 441905820 /nfs/dbraw/zinc/90/58/20/441905820.db2.gz FYMCCMZEYATGSS-SFHVURJKSA-N 2 2 349.450 1.929 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660091 441892703 /nfs/dbraw/zinc/89/27/03/441892703.db2.gz ZDDUNMXCETVUFB-SFHVURJKSA-N 3 2 346.523 1.535 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660091 441892709 /nfs/dbraw/zinc/89/27/09/441892709.db2.gz ZDDUNMXCETVUFB-SFHVURJKSA-N 3 2 346.523 1.535 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660091 441892713 /nfs/dbraw/zinc/89/27/13/441892713.db2.gz ZDDUNMXCETVUFB-SFHVURJKSA-N 3 2 346.523 1.535 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093660091 441892717 /nfs/dbraw/zinc/89/27/17/441892717.db2.gz ZDDUNMXCETVUFB-SFHVURJKSA-N 3 2 346.523 1.535 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000174848696 441975439 /nfs/dbraw/zinc/97/54/39/441975439.db2.gz WPOFXBLHJNLLHC-UHFFFAOYSA-N 2 2 333.436 1.144 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000174848696 441975444 /nfs/dbraw/zinc/97/54/44/441975444.db2.gz WPOFXBLHJNLLHC-UHFFFAOYSA-N 2 2 333.436 1.144 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1 ZINC000078500444 441937412 /nfs/dbraw/zinc/93/74/12/441937412.db2.gz OGTQYQGSLMLGNZ-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000124873162 441961507 /nfs/dbraw/zinc/96/15/07/441961507.db2.gz JKYLKQHDSZHFDQ-QGZVFWFLSA-N 2 2 346.475 1.865 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)nc1 ZINC000124873162 441961510 /nfs/dbraw/zinc/96/15/10/441961510.db2.gz JKYLKQHDSZHFDQ-QGZVFWFLSA-N 2 2 346.475 1.865 20 0 EDADLP C[C@H](C[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)N1CC[NH+](C)CC1 ZINC000120071922 442003343 /nfs/dbraw/zinc/00/33/43/442003343.db2.gz QDFAGBDKQMMUDQ-JKSUJKDBSA-N 2 2 339.505 1.074 20 0 EDADLP COCc1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175170815 442011731 /nfs/dbraw/zinc/01/17/31/442011731.db2.gz PDOJYPNIBABUOX-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079103681 442019183 /nfs/dbraw/zinc/01/91/83/442019183.db2.gz AYQIIDJOHNOQJY-MRXNPFEDSA-N 2 2 343.475 1.965 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079103681 442019192 /nfs/dbraw/zinc/01/91/92/442019192.db2.gz AYQIIDJOHNOQJY-MRXNPFEDSA-N 2 2 343.475 1.965 20 0 EDADLP Cc1cc(NC(=O)C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)n(C)n1 ZINC000079440564 442049037 /nfs/dbraw/zinc/04/90/37/442049037.db2.gz ZBWSOIHTITYNSF-UHFFFAOYSA-N 2 2 342.447 1.663 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)n(C)n1 ZINC000079440564 442049038 /nfs/dbraw/zinc/04/90/38/442049038.db2.gz ZBWSOIHTITYNSF-UHFFFAOYSA-N 2 2 342.447 1.663 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000120342454 442053550 /nfs/dbraw/zinc/05/35/50/442053550.db2.gz PEWNGLQARYUMEY-OAGGEKHMSA-N 2 2 342.447 1.695 20 0 EDADLP C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000120342454 442053555 /nfs/dbraw/zinc/05/35/55/442053555.db2.gz PEWNGLQARYUMEY-OAGGEKHMSA-N 2 2 342.447 1.695 20 0 EDADLP O=c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)nc2ccccn12 ZINC000069857735 442058447 /nfs/dbraw/zinc/05/84/47/442058447.db2.gz ZIQUJECWHGLYDL-INIZCTEOSA-N 2 2 342.443 1.239 20 0 EDADLP O=c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)nc2ccccn12 ZINC000069857735 442058453 /nfs/dbraw/zinc/05/84/53/442058453.db2.gz ZIQUJECWHGLYDL-INIZCTEOSA-N 2 2 342.443 1.239 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000175518896 442079168 /nfs/dbraw/zinc/07/91/68/442079168.db2.gz SWOVPOYZRWBSON-UHFFFAOYSA-N 2 2 337.468 1.451 20 0 EDADLP C[N@H+](CCO)C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000126753695 442140477 /nfs/dbraw/zinc/14/04/77/442140477.db2.gz AIGIVAAEOBDGRN-UHFFFAOYSA-N 2 2 328.416 1.401 20 0 EDADLP C[N@@H+](CCO)C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000126753695 442140480 /nfs/dbraw/zinc/14/04/80/442140480.db2.gz AIGIVAAEOBDGRN-UHFFFAOYSA-N 2 2 328.416 1.401 20 0 EDADLP COc1cccc(OC)c1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000126768003 442141610 /nfs/dbraw/zinc/14/16/10/442141610.db2.gz BPUDVCIFNPVBGO-UHFFFAOYSA-N 2 2 349.475 1.389 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000152133696 442169319 /nfs/dbraw/zinc/16/93/19/442169319.db2.gz FKDZFWXEMAZEOT-ZWKOTPCHSA-N 2 2 333.476 1.940 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000121163142 442185811 /nfs/dbraw/zinc/18/58/11/442185811.db2.gz KYZLHCMRTBKFFG-HRCADAONSA-N 2 2 347.463 1.069 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000163233978 442151908 /nfs/dbraw/zinc/15/19/08/442151908.db2.gz JHHHLVUZWOKBCD-HNNXBMFYSA-N 3 2 341.459 1.605 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)cc1 ZINC000163233978 442151910 /nfs/dbraw/zinc/15/19/10/442151910.db2.gz JHHHLVUZWOKBCD-HNNXBMFYSA-N 2 2 341.459 1.605 20 0 EDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000165691096 442210938 /nfs/dbraw/zinc/21/09/38/442210938.db2.gz UPXGVWZCHIZZBP-JTQLQIEISA-N 2 2 337.221 1.713 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000127692382 442220165 /nfs/dbraw/zinc/22/01/65/442220165.db2.gz CHWVTPLERGSIMQ-YRXWBPOGSA-N 3 2 338.540 1.101 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000127692382 442220167 /nfs/dbraw/zinc/22/01/67/442220167.db2.gz CHWVTPLERGSIMQ-YRXWBPOGSA-N 3 2 338.540 1.101 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000176625680 442242023 /nfs/dbraw/zinc/24/20/23/442242023.db2.gz HDUPDQCMRKBAKD-INIZCTEOSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000176625680 442242025 /nfs/dbraw/zinc/24/20/25/442242025.db2.gz HDUPDQCMRKBAKD-INIZCTEOSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000176625680 442242028 /nfs/dbraw/zinc/24/20/28/442242028.db2.gz HDUPDQCMRKBAKD-INIZCTEOSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000176625680 442242030 /nfs/dbraw/zinc/24/20/30/442242030.db2.gz HDUPDQCMRKBAKD-INIZCTEOSA-N 2 2 340.512 1.374 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000170837187 442272536 /nfs/dbraw/zinc/27/25/36/442272536.db2.gz OMSCCQQAVPZHEE-UHFFFAOYSA-N 2 2 340.512 1.709 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000170837187 442272539 /nfs/dbraw/zinc/27/25/39/442272539.db2.gz OMSCCQQAVPZHEE-UHFFFAOYSA-N 2 2 340.512 1.709 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1=O ZINC000128560845 442274762 /nfs/dbraw/zinc/27/47/62/442274762.db2.gz SGAJZZCVQVYHQQ-HNNXBMFYSA-N 2 2 348.353 1.815 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1=O ZINC000128560845 442274765 /nfs/dbraw/zinc/27/47/65/442274765.db2.gz SGAJZZCVQVYHQQ-HNNXBMFYSA-N 2 2 348.353 1.815 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)COc2ccc(C=O)cc2)CC1 ZINC000177118855 442300265 /nfs/dbraw/zinc/30/02/65/442300265.db2.gz GHSIEWBPWNFJGF-UHFFFAOYSA-N 2 2 333.432 1.020 20 0 EDADLP O=C1CCCN1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177125083 442300731 /nfs/dbraw/zinc/30/07/31/442300731.db2.gz WVXSGUOLMXULFH-UHFFFAOYSA-N 2 2 325.416 1.854 20 0 EDADLP CCCCOCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000171204259 442327531 /nfs/dbraw/zinc/32/75/31/442327531.db2.gz ZAPDQPMSNIPJJF-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379711 442333671 /nfs/dbraw/zinc/33/36/71/442333671.db2.gz ZTNVQXZUGUBZMM-HNNXBMFYSA-N 2 2 326.529 1.638 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379711 442333674 /nfs/dbraw/zinc/33/36/74/442333674.db2.gz ZTNVQXZUGUBZMM-HNNXBMFYSA-N 2 2 326.529 1.638 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177379711 442333676 /nfs/dbraw/zinc/33/36/76/442333676.db2.gz ZTNVQXZUGUBZMM-HNNXBMFYSA-N 2 2 326.529 1.638 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177379711 442333679 /nfs/dbraw/zinc/33/36/79/442333679.db2.gz ZTNVQXZUGUBZMM-HNNXBMFYSA-N 2 2 326.529 1.638 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](CO)c2sccc2C)CC1 ZINC000494622356 447448610 /nfs/dbraw/zinc/44/86/10/447448610.db2.gz AXSXGIPTMDSMOX-ZIAGYGMSSA-N 2 2 325.478 1.232 20 0 EDADLP C[NH+](C)CC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000171396793 442345403 /nfs/dbraw/zinc/34/54/03/442345403.db2.gz KGRFLOVSSQTQAE-UHFFFAOYSA-N 2 2 338.883 1.530 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171440505 442348385 /nfs/dbraw/zinc/34/83/85/442348385.db2.gz GVNDZUFJUZQVCH-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171440505 442348386 /nfs/dbraw/zinc/34/83/86/442348386.db2.gz GVNDZUFJUZQVCH-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000177488691 442349012 /nfs/dbraw/zinc/34/90/12/442349012.db2.gz SCUXSVFHEFOFCE-KRWDZBQOSA-N 2 2 337.439 1.831 20 0 EDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000129241667 442307940 /nfs/dbraw/zinc/30/79/40/442307940.db2.gz PRPCIGDTIJIRAA-UHFFFAOYSA-N 2 2 330.436 1.037 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000171097313 442311071 /nfs/dbraw/zinc/31/10/71/442311071.db2.gz TYXSXKAGFYQHKP-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000171097313 442311072 /nfs/dbraw/zinc/31/10/72/442311072.db2.gz TYXSXKAGFYQHKP-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000171098661 442311915 /nfs/dbraw/zinc/31/19/15/442311915.db2.gz JJGSWDAWGVZHTM-UHFFFAOYSA-N 2 2 345.447 1.287 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000171098661 442311919 /nfs/dbraw/zinc/31/19/19/442311919.db2.gz JJGSWDAWGVZHTM-UHFFFAOYSA-N 2 2 345.447 1.287 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000171133466 442317756 /nfs/dbraw/zinc/31/77/56/442317756.db2.gz BDSMECWBYAQJHX-CQSZACIVSA-N 2 2 329.448 1.097 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000131604246 442375651 /nfs/dbraw/zinc/37/56/51/442375651.db2.gz UTVKFHUFNHAQGI-GDBMZVCRSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@H+]1C ZINC000131604246 442375653 /nfs/dbraw/zinc/37/56/53/442375653.db2.gz UTVKFHUFNHAQGI-GDBMZVCRSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[NH+]1C ZINC000131604246 442375656 /nfs/dbraw/zinc/37/56/56/442375656.db2.gz UTVKFHUFNHAQGI-GDBMZVCRSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[NH+]1C ZINC000131604246 442375658 /nfs/dbraw/zinc/37/56/58/442375658.db2.gz UTVKFHUFNHAQGI-GDBMZVCRSA-N 2 2 339.505 1.851 20 0 EDADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000171750911 442376987 /nfs/dbraw/zinc/37/69/87/442376987.db2.gz NGAXUHVONGJKDA-INIZCTEOSA-N 2 2 347.463 1.059 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000171750911 442376989 /nfs/dbraw/zinc/37/69/89/442376989.db2.gz NGAXUHVONGJKDA-INIZCTEOSA-N 2 2 347.463 1.059 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)CCO1 ZINC000172053195 442404623 /nfs/dbraw/zinc/40/46/23/442404623.db2.gz KFPGZXVAUCLWAU-YLJYHZDGSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)CCO1 ZINC000172053195 442404627 /nfs/dbraw/zinc/40/46/27/442404627.db2.gz KFPGZXVAUCLWAU-YLJYHZDGSA-N 2 2 348.487 1.749 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC000177968449 442398403 /nfs/dbraw/zinc/39/84/03/442398403.db2.gz RHGFCVNUFZMLGX-IBGZPJMESA-N 2 2 331.460 1.096 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(O)C2)CC1 ZINC000177968449 442398405 /nfs/dbraw/zinc/39/84/05/442398405.db2.gz RHGFCVNUFZMLGX-IBGZPJMESA-N 2 2 331.460 1.096 20 0 EDADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178118676 442409126 /nfs/dbraw/zinc/40/91/26/442409126.db2.gz PRCBNVZONJGOOH-INIZCTEOSA-N 2 2 340.427 1.667 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000155718652 442421576 /nfs/dbraw/zinc/42/15/76/442421576.db2.gz ZVFKXVBTHXBDCN-YCPHGPKFSA-N 2 2 339.505 1.953 20 0 EDADLP C[C@@H](CNC(=O)NCCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000155804452 442428795 /nfs/dbraw/zinc/42/87/95/442428795.db2.gz HLBPCVYHUCTTET-HNNXBMFYSA-N 2 2 345.447 1.144 20 0 EDADLP CN(C)c1nc(N2CC[NH+](CCCCCn3cccn3)CC2)cc[nH+]1 ZINC000134100975 442450633 /nfs/dbraw/zinc/45/06/33/442450633.db2.gz OQKOJCBNNGLIKL-UHFFFAOYSA-N 2 2 343.479 1.732 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc[nH+]1 ZINC000134144503 442453240 /nfs/dbraw/zinc/45/32/40/442453240.db2.gz TWLQMVATSLBVJH-UHFFFAOYSA-N 2 2 339.443 1.800 20 0 EDADLP CS[C@@H]1CCCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000134557308 442495369 /nfs/dbraw/zinc/49/53/69/442495369.db2.gz OFHUKXCIWFEBGH-OAHLLOKOSA-N 2 2 343.537 1.431 20 0 EDADLP CS[C@@H]1CCCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000134557308 442495373 /nfs/dbraw/zinc/49/53/73/442495373.db2.gz OFHUKXCIWFEBGH-OAHLLOKOSA-N 2 2 343.537 1.431 20 0 EDADLP CCOCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172750792 442533871 /nfs/dbraw/zinc/53/38/71/442533871.db2.gz LJAMGVAXTONEPC-UHFFFAOYSA-N 2 2 325.497 1.870 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134946000 442540331 /nfs/dbraw/zinc/54/03/31/442540331.db2.gz FOTQZIJVOXJUGG-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134946000 442540335 /nfs/dbraw/zinc/54/03/35/442540335.db2.gz FOTQZIJVOXJUGG-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP CCCCOCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134946000 442540339 /nfs/dbraw/zinc/54/03/39/442540339.db2.gz FOTQZIJVOXJUGG-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP CCCCOCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134946000 442540343 /nfs/dbraw/zinc/54/03/43/442540343.db2.gz FOTQZIJVOXJUGG-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)C1 ZINC000179009144 442551351 /nfs/dbraw/zinc/55/13/51/442551351.db2.gz AFISYASNLQXVGP-FUHWJXTLSA-N 2 2 330.476 1.043 20 0 EDADLP CCCC1CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000178908329 442521990 /nfs/dbraw/zinc/52/19/90/442521990.db2.gz XUKNZYMRXWQXPP-DAWZGUTISA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H](CSC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000179978758 442525340 /nfs/dbraw/zinc/52/53/40/442525340.db2.gz VSARWIHSDXOSJN-CQSZACIVSA-N 2 2 330.542 1.795 20 0 EDADLP CC[C@H](CSC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179978758 442525343 /nfs/dbraw/zinc/52/53/43/442525343.db2.gz VSARWIHSDXOSJN-CQSZACIVSA-N 2 2 330.542 1.795 20 0 EDADLP Cc1noc(CCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000172749226 442532249 /nfs/dbraw/zinc/53/22/49/442532249.db2.gz WYBMXRRVWRXEFT-UHFFFAOYSA-N 2 2 349.479 1.377 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000186615077 442574293 /nfs/dbraw/zinc/57/42/93/442574293.db2.gz YTOXXBWGQBCPKS-OXJNMPFZSA-N 2 2 343.471 1.670 20 0 EDADLP 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ZINC000261718737 443165922 /nfs/dbraw/zinc/16/59/22/443165922.db2.gz FAGBMYGSPGTLJU-SOLBZPMBSA-N 2 2 330.476 1.171 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000261742820 443167672 /nfs/dbraw/zinc/16/76/72/443167672.db2.gz LXPQLHQSUJQLCI-RRFJBIMHSA-N 2 2 337.489 1.755 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)nc(N)c2cc1OC ZINC000266768156 443234379 /nfs/dbraw/zinc/23/43/79/443234379.db2.gz XPOFYROOKRDPRP-NEPJUHHUSA-N 2 2 343.431 1.902 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)nc(N)c2cc1OC ZINC000266768156 443234380 /nfs/dbraw/zinc/23/43/80/443234380.db2.gz XPOFYROOKRDPRP-NEPJUHHUSA-N 2 2 343.431 1.902 20 0 EDADLP CC[N@H+](Cc1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1)C1CC1 ZINC000350931628 319080328 /nfs/dbraw/zinc/08/03/28/319080328.db2.gz ZKBXVHHLXUYQRD-UHFFFAOYSA-N 2 2 335.452 1.149 20 0 EDADLP CC[N@@H+](Cc1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1)C1CC1 ZINC000350931628 319080331 /nfs/dbraw/zinc/08/03/31/319080331.db2.gz 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CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000413849729 319293522 /nfs/dbraw/zinc/29/35/22/319293522.db2.gz YGZXWMYXMDCNIH-QGZVFWFLSA-N 2 2 346.475 1.617 20 0 EDADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000414213898 319321052 /nfs/dbraw/zinc/32/10/52/319321052.db2.gz RWXNIJJOSFKKFC-FUHWJXTLSA-N 2 2 345.487 1.924 20 0 EDADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000414213898 319321054 /nfs/dbraw/zinc/32/10/54/319321054.db2.gz RWXNIJJOSFKKFC-FUHWJXTLSA-N 2 2 345.487 1.924 20 0 EDADLP Cc1cc(C)c(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c(C)[nH+]1 ZINC000415740828 319368886 /nfs/dbraw/zinc/36/88/86/319368886.db2.gz XPFKGDAAZNGCEB-OAHLLOKOSA-N 2 2 347.463 1.858 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCC[C@@H](C)C1 ZINC000246010404 443262246 /nfs/dbraw/zinc/26/22/46/443262246.db2.gz JJIFWTAPGJAFKA-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCC[C@@H](C)C1 ZINC000246010404 443262253 /nfs/dbraw/zinc/26/22/53/443262253.db2.gz JJIFWTAPGJAFKA-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246010404 443262259 /nfs/dbraw/zinc/26/22/59/443262259.db2.gz JJIFWTAPGJAFKA-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000246010404 443262263 /nfs/dbraw/zinc/26/22/63/443262263.db2.gz JJIFWTAPGJAFKA-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[N@@H+]1C1CC1 ZINC000185859641 443270364 /nfs/dbraw/zinc/27/03/64/443270364.db2.gz KENOETRUUHRPQZ-HOCLYGCPSA-N 2 2 349.500 1.941 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[N@H+]1C1CC1 ZINC000185859641 443270368 /nfs/dbraw/zinc/27/03/68/443270368.db2.gz KENOETRUUHRPQZ-HOCLYGCPSA-N 2 2 349.500 1.941 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416890490 319470003 /nfs/dbraw/zinc/47/00/03/319470003.db2.gz SSMBLDCHMUKCFB-KRWDZBQOSA-N 2 2 334.464 1.277 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416906111 319471141 /nfs/dbraw/zinc/47/11/41/319471141.db2.gz GVKUGXZSCFYLSB-HUUCEWRRSA-N 2 2 333.411 1.931 20 0 EDADLP CC(C)(C[NH3+])NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000416931823 319477701 /nfs/dbraw/zinc/47/77/01/319477701.db2.gz MOVYOVGYPFVHGO-UHFFFAOYSA-N 2 2 347.463 1.126 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)C1 ZINC000272452207 443323864 /nfs/dbraw/zinc/32/38/64/443323864.db2.gz CKINEFVYCJSUNN-AAEUAGOBSA-N 2 2 339.461 1.331 20 0 EDADLP C[NH+]1CCC(O)(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000267073293 443333098 /nfs/dbraw/zinc/33/30/98/443333098.db2.gz IIJGCCGEPLFMSL-UHFFFAOYSA-N 2 2 328.416 1.118 20 0 EDADLP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000267076607 443334220 /nfs/dbraw/zinc/33/42/20/443334220.db2.gz ILPZDESAGKDOAX-GJZGRUSLSA-N 2 2 332.448 1.328 20 0 EDADLP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000267076607 443334223 /nfs/dbraw/zinc/33/42/23/443334223.db2.gz ILPZDESAGKDOAX-GJZGRUSLSA-N 2 2 332.448 1.328 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000278624520 443382118 /nfs/dbraw/zinc/38/21/18/443382118.db2.gz KUJCBWFMJMQUCH-INIZCTEOSA-N 2 2 347.459 1.728 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000264776591 443419149 /nfs/dbraw/zinc/41/91/49/443419149.db2.gz PIFOAYAFVFETJJ-UHFFFAOYSA-N 2 2 349.475 1.421 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000420370338 319611955 /nfs/dbraw/zinc/61/19/55/319611955.db2.gz OYIBYQXZQLIMPP-PBFPGSCMSA-N 2 2 332.448 1.303 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000264785707 443424036 /nfs/dbraw/zinc/42/40/36/443424036.db2.gz RTWTZAKUPNONHI-LJQANCHMSA-N 2 2 346.519 1.775 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000264785707 443424042 /nfs/dbraw/zinc/42/40/42/443424042.db2.gz RTWTZAKUPNONHI-LJQANCHMSA-N 2 2 346.519 1.775 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000264785707 443424048 /nfs/dbraw/zinc/42/40/48/443424048.db2.gz RTWTZAKUPNONHI-LJQANCHMSA-N 2 2 346.519 1.775 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CC2(OCCO)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000282839655 443447591 /nfs/dbraw/zinc/44/75/91/443447591.db2.gz ZWUFIBJMAOXFNA-HKUYNNGSSA-N 2 2 348.487 1.797 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CC2(OCCO)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000282839655 443447594 /nfs/dbraw/zinc/44/75/94/443447594.db2.gz ZWUFIBJMAOXFNA-HKUYNNGSSA-N 2 2 348.487 1.797 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000269811551 443451144 /nfs/dbraw/zinc/45/11/44/443451144.db2.gz MHCRTARSBHGLBO-MRXNPFEDSA-N 2 2 328.840 1.904 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[NH+]1CCSCC1 ZINC000264861505 443457218 /nfs/dbraw/zinc/45/72/18/443457218.db2.gz NNWZQGWYKQMZMT-ZDUSSCGKSA-N 2 2 325.482 1.176 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422741813 319736927 /nfs/dbraw/zinc/73/69/27/319736927.db2.gz PCILKOWONVVCTA-RHSMWYFYSA-N 2 2 339.505 1.602 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000264966677 443494494 /nfs/dbraw/zinc/49/44/94/443494494.db2.gz CHYIODIXTJHMJR-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC000264966677 443494496 /nfs/dbraw/zinc/49/44/96/443494496.db2.gz CHYIODIXTJHMJR-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000279032500 443495881 /nfs/dbraw/zinc/49/58/81/443495881.db2.gz ARWVVXDYQPZVLV-IAGOWNOFSA-N 2 2 333.476 1.686 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000279032500 443495885 /nfs/dbraw/zinc/49/58/85/443495885.db2.gz ARWVVXDYQPZVLV-IAGOWNOFSA-N 2 2 333.476 1.686 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423886571 319824568 /nfs/dbraw/zinc/82/45/68/319824568.db2.gz XSZAXKGVCCATPK-MDMSPXHWSA-N 2 2 335.492 1.476 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@@H]1C ZINC000265397119 443627866 /nfs/dbraw/zinc/62/78/66/443627866.db2.gz UTDZSUUXPABFDC-AWEZNQCLSA-N 2 2 335.452 1.010 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@@H]1C ZINC000265397119 443627869 /nfs/dbraw/zinc/62/78/69/443627869.db2.gz UTDZSUUXPABFDC-AWEZNQCLSA-N 2 2 335.452 1.010 20 0 EDADLP C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272390239 443610781 /nfs/dbraw/zinc/61/07/81/443610781.db2.gz CQITXURLFAWJRL-HNNXBMFYSA-N 2 2 343.475 1.703 20 0 EDADLP C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272390239 443610785 /nfs/dbraw/zinc/61/07/85/443610785.db2.gz CQITXURLFAWJRL-HNNXBMFYSA-N 2 2 343.475 1.703 20 0 EDADLP C=Cn1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000279947923 443647763 /nfs/dbraw/zinc/64/77/63/443647763.db2.gz OOFPKARYBABFDK-HOTGVXAUSA-N 2 2 332.427 1.762 20 0 EDADLP C=Cn1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000279947923 443647766 /nfs/dbraw/zinc/64/77/66/443647766.db2.gz OOFPKARYBABFDK-HOTGVXAUSA-N 2 2 332.427 1.762 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283527144 443654368 /nfs/dbraw/zinc/65/43/68/443654368.db2.gz REDTZDQAXHEFJA-DOOVEFGSSA-N 2 2 331.464 1.440 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000433994512 319991080 /nfs/dbraw/zinc/99/10/80/319991080.db2.gz SQAOIPKNBLSNOK-OAHLLOKOSA-N 2 2 326.485 1.221 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H](O)C(F)(F)F)CCC[NH+]2C)cn1 ZINC000434741610 320000849 /nfs/dbraw/zinc/00/08/49/320000849.db2.gz HBTBOJKQPFGPEK-FPMFFAJLSA-N 2 2 334.386 1.658 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H](O)C(F)(F)F)CCC[NH+]2C)cn1 ZINC000434741610 320000853 /nfs/dbraw/zinc/00/08/53/320000853.db2.gz HBTBOJKQPFGPEK-FPMFFAJLSA-N 2 2 334.386 1.658 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H](O)C(F)(F)F)CCC[N@@H+]2C)cn1 ZINC000434741610 320000855 /nfs/dbraw/zinc/00/08/55/320000855.db2.gz HBTBOJKQPFGPEK-FPMFFAJLSA-N 2 2 334.386 1.658 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H](O)C(F)(F)F)CCC[N@H+]2C)cn1 ZINC000434741610 320000857 /nfs/dbraw/zinc/00/08/57/320000857.db2.gz HBTBOJKQPFGPEK-FPMFFAJLSA-N 2 2 334.386 1.658 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2C(=O)OCC)CC1 ZINC000439955708 320055449 /nfs/dbraw/zinc/05/54/49/320055449.db2.gz KBHZMBGVUZOBBM-UHFFFAOYSA-N 2 2 335.404 1.334 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2C(=O)OCC)CC1 ZINC000439955708 320055451 /nfs/dbraw/zinc/05/54/51/320055451.db2.gz KBHZMBGVUZOBBM-UHFFFAOYSA-N 2 2 335.404 1.334 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000439963590 320056004 /nfs/dbraw/zinc/05/60/04/320056004.db2.gz SUHJEKAFEFEPBF-OAHLLOKOSA-N 2 2 335.448 1.839 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)c2)CC1 ZINC000444270848 320123737 /nfs/dbraw/zinc/12/37/37/320123737.db2.gz PYEAQACYRMEOBU-IEBWSBKVSA-N 2 2 328.460 1.372 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc2ccoc21 ZINC000449304904 320183839 /nfs/dbraw/zinc/18/38/39/320183839.db2.gz QAWMYUZCNITIHX-UHFFFAOYSA-N 2 2 345.443 1.655 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc2ccoc21 ZINC000449304904 320183841 /nfs/dbraw/zinc/18/38/41/320183841.db2.gz QAWMYUZCNITIHX-UHFFFAOYSA-N 2 2 345.443 1.655 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000449362250 320184029 /nfs/dbraw/zinc/18/40/29/320184029.db2.gz KOTOXLWDPPTAJR-NVXWUHKLSA-N 2 2 326.444 1.988 20 0 EDADLP OCCC[N@@H+]1CCC[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000449398241 320189093 /nfs/dbraw/zinc/18/90/93/320189093.db2.gz UBIMPMTYTVDJSG-HNNXBMFYSA-N 2 2 337.430 1.840 20 0 EDADLP OCCC[N@H+]1CCC[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000449398241 320189094 /nfs/dbraw/zinc/18/90/94/320189094.db2.gz UBIMPMTYTVDJSG-HNNXBMFYSA-N 2 2 337.430 1.840 20 0 EDADLP OC1CC[NH+](CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000449645275 320196516 /nfs/dbraw/zinc/19/65/16/320196516.db2.gz JDYWXLLDYQHDJD-HMXCVIKNSA-N 2 2 343.515 1.943 20 0 EDADLP OC1CC[NH+](CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000449645275 320196517 /nfs/dbraw/zinc/19/65/17/320196517.db2.gz JDYWXLLDYQHDJD-HMXCVIKNSA-N 2 2 343.515 1.943 20 0 EDADLP OC1CC[NH+](CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449645276 320196619 /nfs/dbraw/zinc/19/66/19/320196619.db2.gz JDYWXLLDYQHDJD-SESVDKBCSA-N 2 2 343.515 1.943 20 0 EDADLP OC1CC[NH+](CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449645276 320196620 /nfs/dbraw/zinc/19/66/20/320196620.db2.gz JDYWXLLDYQHDJD-SESVDKBCSA-N 2 2 343.515 1.943 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC23CCSCC3)CC1 ZINC000450046033 320210260 /nfs/dbraw/zinc/21/02/60/320210260.db2.gz HWCMQUQCKZQIDO-OAHLLOKOSA-N 2 2 325.522 1.662 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(-n2cnnn2)cc1 ZINC000453263922 320261318 /nfs/dbraw/zinc/26/13/18/320261318.db2.gz UNVOTOMPJOOYMY-RHSMWYFYSA-N 2 2 330.436 1.160 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(-n2cnnn2)cc1 ZINC000453263922 320261325 /nfs/dbraw/zinc/26/13/25/320261325.db2.gz UNVOTOMPJOOYMY-RHSMWYFYSA-N 2 2 330.436 1.160 20 0 EDADLP OCc1cn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc3[nH+]ccn32)nn1 ZINC000276303082 443685017 /nfs/dbraw/zinc/68/50/17/443685017.db2.gz KHBBCPNTLCGGJJ-JKSUJKDBSA-N 2 2 326.404 1.692 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000298237909 443727471 /nfs/dbraw/zinc/72/74/71/443727471.db2.gz BXOPELIISFECQN-UHFFFAOYSA-N 3 2 329.492 1.550 20 0 EDADLP CCOc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(F)cc1OC ZINC000527646336 320521205 /nfs/dbraw/zinc/52/12/05/320521205.db2.gz VAWFTJWYCKSYST-CQSZACIVSA-N 2 2 326.412 1.779 20 0 EDADLP CCN1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000529353268 320576488 /nfs/dbraw/zinc/57/64/88/320576488.db2.gz GOWKHFBZPATNBF-KGLIPLIRSA-N 2 2 332.452 1.083 20 0 EDADLP C[C@@H](CNc1nc(NC[C@H](C)[NH+](C)C)c2c([nH+]1)CCS2)[NH+](C)C ZINC000288294895 443835408 /nfs/dbraw/zinc/83/54/08/443835408.db2.gz GXLGOJZIGRFIMR-RYUDHWBXSA-N 3 2 338.525 1.849 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)cn2c1 ZINC000277043450 443893710 /nfs/dbraw/zinc/89/37/10/443893710.db2.gz MKBVYCVPNMDUCJ-OAHLLOKOSA-N 2 2 338.415 1.694 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862901 320708267 /nfs/dbraw/zinc/70/82/67/320708267.db2.gz QURGLAZAHZUIRD-CYBMUJFWSA-N 2 2 347.463 1.971 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[NH+]1CCOCC1 ZINC000548718678 320895446 /nfs/dbraw/zinc/89/54/46/320895446.db2.gz LNEMTXBHGVXKAK-INIZCTEOSA-N 2 2 349.479 1.195 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000552536054 320929150 /nfs/dbraw/zinc/92/91/50/320929150.db2.gz MEQLUMKOYJHBAA-OAHLLOKOSA-N 2 2 332.448 1.554 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O)c2cc1C ZINC000553261690 320938838 /nfs/dbraw/zinc/93/88/38/320938838.db2.gz PACGERMWUQAHIE-UONOGXRCSA-N 2 2 339.461 1.037 20 0 EDADLP CC(C)[NH2+]CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000554302374 320951663 /nfs/dbraw/zinc/95/16/63/320951663.db2.gz JLIWDQYWYJZFNR-GASCZTMLSA-N 2 2 334.464 1.700 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000561177700 321034919 /nfs/dbraw/zinc/03/49/19/321034919.db2.gz OLSRNEMFXCEVQT-HUUCEWRRSA-N 2 2 343.406 1.762 20 0 EDADLP O=C(CC[NH2+]C1CC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000563414161 321109511 /nfs/dbraw/zinc/10/95/11/321109511.db2.gz LRJBVQHKILXTRX-UHFFFAOYSA-N 2 2 327.432 1.121 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000564957269 321160624 /nfs/dbraw/zinc/16/06/24/321160624.db2.gz JVKRDNPVLUGFSK-GJZGRUSLSA-N 2 2 336.455 1.580 20 0 EDADLP CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000565549720 321191335 /nfs/dbraw/zinc/19/13/35/321191335.db2.gz PBOCQZBMMMQGLS-QBPKDAKJSA-N 2 2 328.497 1.451 20 0 EDADLP CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000565549720 321191336 /nfs/dbraw/zinc/19/13/36/321191336.db2.gz PBOCQZBMMMQGLS-QBPKDAKJSA-N 2 2 328.497 1.451 20 0 EDADLP CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000565549720 321191337 /nfs/dbraw/zinc/19/13/37/321191337.db2.gz PBOCQZBMMMQGLS-QBPKDAKJSA-N 2 2 328.497 1.451 20 0 EDADLP CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000565549720 321191338 /nfs/dbraw/zinc/19/13/38/321191338.db2.gz PBOCQZBMMMQGLS-QBPKDAKJSA-N 2 2 328.497 1.451 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000565610022 321194120 /nfs/dbraw/zinc/19/41/20/321194120.db2.gz YBJSKRWWJFPVMQ-AEFFLSMTSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000565610022 321194121 /nfs/dbraw/zinc/19/41/21/321194121.db2.gz YBJSKRWWJFPVMQ-AEFFLSMTSA-N 2 2 345.487 1.734 20 0 EDADLP CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566200567 321222074 /nfs/dbraw/zinc/22/20/74/321222074.db2.gz SPDFCSQTEVHPMF-ZIAGYGMSSA-N 2 2 344.463 1.426 20 0 EDADLP CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566200567 321222077 /nfs/dbraw/zinc/22/20/77/321222077.db2.gz SPDFCSQTEVHPMF-ZIAGYGMSSA-N 2 2 344.463 1.426 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(OC)c1 ZINC000566415347 321228670 /nfs/dbraw/zinc/22/86/70/321228670.db2.gz BZNCZJXOQLMCSO-CYBMUJFWSA-N 2 2 344.415 1.865 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(OC)c1 ZINC000566415347 321228673 /nfs/dbraw/zinc/22/86/73/321228673.db2.gz BZNCZJXOQLMCSO-CYBMUJFWSA-N 2 2 344.415 1.865 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000566417779 321229141 /nfs/dbraw/zinc/22/91/41/321229141.db2.gz YKAXNSKRTYOAQS-CQSZACIVSA-N 2 2 341.415 1.948 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000566417779 321229143 /nfs/dbraw/zinc/22/91/43/321229143.db2.gz YKAXNSKRTYOAQS-CQSZACIVSA-N 2 2 341.415 1.948 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH+]1CCOCC1 ZINC000568187106 321279350 /nfs/dbraw/zinc/27/93/50/321279350.db2.gz VUGKCHRCBALEGO-WMLDXEAASA-N 2 2 336.480 1.842 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000568187106 321279351 /nfs/dbraw/zinc/27/93/51/321279351.db2.gz VUGKCHRCBALEGO-WMLDXEAASA-N 2 2 336.480 1.842 20 0 EDADLP Cc1csc(N2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)n1 ZINC000568988240 321313329 /nfs/dbraw/zinc/31/33/29/321313329.db2.gz ZHEDNJWDAFZENG-IRXDYDNUSA-N 2 2 346.500 1.504 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569066315 321316808 /nfs/dbraw/zinc/31/68/08/321316808.db2.gz IMZNRGJSQSZBCV-ZDUSSCGKSA-N 2 2 347.850 1.890 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCOc1cccc(F)c1 ZINC000569245692 321322445 /nfs/dbraw/zinc/32/24/45/321322445.db2.gz NLONZRRVXOPQNE-SFHVURJKSA-N 2 2 335.423 1.396 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCOc1cccc(F)c1 ZINC000569245692 321322447 /nfs/dbraw/zinc/32/24/47/321322447.db2.gz NLONZRRVXOPQNE-SFHVURJKSA-N 2 2 335.423 1.396 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000569472158 321326502 /nfs/dbraw/zinc/32/65/02/321326502.db2.gz WZYOABFZWJRWMF-YQVWRLOYSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000569472158 321326503 /nfs/dbraw/zinc/32/65/03/321326503.db2.gz WZYOABFZWJRWMF-YQVWRLOYSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000570695166 321354039 /nfs/dbraw/zinc/35/40/39/321354039.db2.gz VPPNLNOTBGMAGX-CQSZACIVSA-N 2 2 326.444 1.804 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000570695166 321354041 /nfs/dbraw/zinc/35/40/41/321354041.db2.gz VPPNLNOTBGMAGX-CQSZACIVSA-N 2 2 326.444 1.804 20 0 EDADLP CC1(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@@H]21 ZINC000278153522 444108521 /nfs/dbraw/zinc/10/85/21/444108521.db2.gz AIMQYKGYEJKSAB-XWSJACJDSA-N 2 2 330.472 1.809 20 0 EDADLP CC1(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@@H]21 ZINC000278153522 444108522 /nfs/dbraw/zinc/10/85/22/444108522.db2.gz AIMQYKGYEJKSAB-XWSJACJDSA-N 2 2 330.472 1.809 20 0 EDADLP CN1CC[C@@H]([NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000285805700 444113548 /nfs/dbraw/zinc/11/35/48/444113548.db2.gz GAFLILQZZGUJTR-RBUKOAKNSA-N 2 2 342.487 1.109 20 0 EDADLP CN1CC[C@@H]([NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000285805700 444113552 /nfs/dbraw/zinc/11/35/52/444113552.db2.gz GAFLILQZZGUJTR-RBUKOAKNSA-N 2 2 342.487 1.109 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000299744014 444131298 /nfs/dbraw/zinc/13/12/98/444131298.db2.gz NHRAKHFBWXCNKJ-SJORKVTESA-N 2 2 325.416 1.779 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000299744014 444131302 /nfs/dbraw/zinc/13/13/02/444131302.db2.gz NHRAKHFBWXCNKJ-SJORKVTESA-N 2 2 325.416 1.779 20 0 EDADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000300691299 444140127 /nfs/dbraw/zinc/14/01/27/444140127.db2.gz SGDOQINUPRAUHV-KBPBESRZSA-N 2 2 343.265 1.873 20 0 EDADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000300691299 444140128 /nfs/dbraw/zinc/14/01/28/444140128.db2.gz SGDOQINUPRAUHV-KBPBESRZSA-N 2 2 343.265 1.873 20 0 EDADLP CN(CC1CC[NH+](C)CC1)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301178379 444152416 /nfs/dbraw/zinc/15/24/16/444152416.db2.gz NJESIUHLWDNUGW-MRXNPFEDSA-N 2 2 333.480 1.463 20 0 EDADLP CN(CC1CC[NH+](C)CC1)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301178379 444152421 /nfs/dbraw/zinc/15/24/21/444152421.db2.gz NJESIUHLWDNUGW-MRXNPFEDSA-N 2 2 333.480 1.463 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC000302482891 444214799 /nfs/dbraw/zinc/21/47/99/444214799.db2.gz HFLJWIJEXKGZOJ-JKSUJKDBSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC000302482891 444214801 /nfs/dbraw/zinc/21/48/01/444214801.db2.gz HFLJWIJEXKGZOJ-JKSUJKDBSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CC[N@H+](CCO)C(C)(C)C3)nc[nH+]2)C1 ZINC000302561703 444216222 /nfs/dbraw/zinc/21/62/22/444216222.db2.gz UQWXFVDFRQVDBV-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CC[N@@H+](CCO)C(C)(C)C3)nc[nH+]2)C1 ZINC000302561703 444216223 /nfs/dbraw/zinc/21/62/23/444216223.db2.gz UQWXFVDFRQVDBV-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000289950380 444223165 /nfs/dbraw/zinc/22/31/65/444223165.db2.gz PDWQEHIORPFOSL-GFCCVEGCSA-N 2 2 340.449 1.348 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)nc1 ZINC000285996016 444172465 /nfs/dbraw/zinc/17/24/65/444172465.db2.gz NIGLIWPTRQTKEJ-UHFFFAOYSA-N 2 2 342.399 1.594 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1)S(C)(=O)=O ZINC000289605288 444180197 /nfs/dbraw/zinc/18/01/97/444180197.db2.gz VKILHYNMVWJOKR-AWEZNQCLSA-N 2 2 336.461 1.438 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1)S(C)(=O)=O ZINC000289605288 444180198 /nfs/dbraw/zinc/18/01/98/444180198.db2.gz VKILHYNMVWJOKR-AWEZNQCLSA-N 2 2 336.461 1.438 20 0 EDADLP CO[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000576111435 321543039 /nfs/dbraw/zinc/54/30/39/321543039.db2.gz ZRAIEQZZIZNOAZ-NXHRZFHOSA-N 2 2 342.443 1.485 20 0 EDADLP COCc1nc(C)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000301809317 444191444 /nfs/dbraw/zinc/19/14/44/444191444.db2.gz AYNDZECMUBUDCB-SJPCQFCGSA-N 2 2 345.491 1.679 20 0 EDADLP COCc1nc(C)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000301809317 444191447 /nfs/dbraw/zinc/19/14/47/444191447.db2.gz AYNDZECMUBUDCB-SJPCQFCGSA-N 2 2 345.491 1.679 20 0 EDADLP COCCOCc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000289719864 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CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000577365299 321645443 /nfs/dbraw/zinc/64/54/43/321645443.db2.gz DCDHTSHAAAFBSF-HZPDHXFCSA-N 2 2 344.415 1.186 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000304291142 444245521 /nfs/dbraw/zinc/24/55/21/444245521.db2.gz JNCDEQASOPWVJC-WOJBJXKFSA-N 2 2 347.503 1.133 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000304291142 444245523 /nfs/dbraw/zinc/24/55/23/444245523.db2.gz JNCDEQASOPWVJC-WOJBJXKFSA-N 2 2 347.503 1.133 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000304291142 444245524 /nfs/dbraw/zinc/24/55/24/444245524.db2.gz JNCDEQASOPWVJC-WOJBJXKFSA-N 2 2 347.503 1.133 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000304291142 444245526 /nfs/dbraw/zinc/24/55/26/444245526.db2.gz JNCDEQASOPWVJC-WOJBJXKFSA-N 2 2 347.503 1.133 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1F ZINC000577711958 321675239 /nfs/dbraw/zinc/67/52/39/321675239.db2.gz OMYLTVYBVKBCGA-CJNGLKHVSA-N 2 2 345.422 1.947 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000305768817 444279684 /nfs/dbraw/zinc/27/96/84/444279684.db2.gz LDJBGYJPNLVBAB-MCIONIFRSA-N 2 2 346.518 1.203 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000305768817 444279685 /nfs/dbraw/zinc/27/96/85/444279685.db2.gz LDJBGYJPNLVBAB-MCIONIFRSA-N 2 2 346.518 1.203 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000310031652 444290843 /nfs/dbraw/zinc/29/08/43/444290843.db2.gz YOAKRKKCOFCMEP-UHFFFAOYSA-N 2 2 329.448 1.826 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000310031652 444290844 /nfs/dbraw/zinc/29/08/44/444290844.db2.gz YOAKRKKCOFCMEP-UHFFFAOYSA-N 2 2 329.448 1.826 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000578035677 321712225 /nfs/dbraw/zinc/71/22/25/321712225.db2.gz NNZGQWIEZKHQHY-CYBMUJFWSA-N 2 2 344.463 1.591 20 0 EDADLP C[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000323475658 444343244 /nfs/dbraw/zinc/34/32/44/444343244.db2.gz MYVIKUJVAWWWCZ-QUCCMNQESA-N 2 2 347.503 1.133 20 0 EDADLP C[C@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323475658 444343245 /nfs/dbraw/zinc/34/32/45/444343245.db2.gz MYVIKUJVAWWWCZ-QUCCMNQESA-N 2 2 347.503 1.133 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[N@H+](C)[C@H]2CCSC2)C[C@@H](C)O1 ZINC000339972061 444346593 /nfs/dbraw/zinc/34/65/93/444346593.db2.gz JXAWKHSYXJEVEF-KFWWJZLASA-N 2 2 343.537 1.428 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@@H](C)O1 ZINC000339972061 444346596 /nfs/dbraw/zinc/34/65/96/444346596.db2.gz JXAWKHSYXJEVEF-KFWWJZLASA-N 2 2 343.537 1.428 20 0 EDADLP C[NH+](C)CCOCCNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000325969410 444371484 /nfs/dbraw/zinc/37/14/84/444371484.db2.gz VBXZDMDCQXNSKQ-UHFFFAOYSA-N 2 2 326.404 1.806 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccn3cc[nH+]c3c2)CCCO1 ZINC000290832817 444327969 /nfs/dbraw/zinc/32/79/69/444327969.db2.gz XWNZTSDTGZOYPZ-CQSZACIVSA-N 2 2 331.420 1.957 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccn3cc[nH+]c3c2)CCCO1 ZINC000290832817 444327972 /nfs/dbraw/zinc/32/79/72/444327972.db2.gz XWNZTSDTGZOYPZ-CQSZACIVSA-N 2 2 331.420 1.957 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000298078500 444408675 /nfs/dbraw/zinc/40/86/75/444408675.db2.gz DNSPFEKZTUDNLK-DLBZAZTESA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000578921655 321853454 /nfs/dbraw/zinc/85/34/54/321853454.db2.gz XGSDZZSDVFFNPG-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000328886013 444388090 /nfs/dbraw/zinc/38/80/90/444388090.db2.gz ZKSDFBJAWGVOAC-HOCLYGCPSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000328886013 444388093 /nfs/dbraw/zinc/38/80/93/444388093.db2.gz ZKSDFBJAWGVOAC-HOCLYGCPSA-N 2 2 332.448 1.379 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000329045677 444456710 /nfs/dbraw/zinc/45/67/10/444456710.db2.gz PSEMQBIUWUZZPS-UKRRQHHQSA-N 2 2 347.463 1.289 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000329045677 444456714 /nfs/dbraw/zinc/45/67/14/444456714.db2.gz PSEMQBIUWUZZPS-UKRRQHHQSA-N 2 2 347.463 1.289 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338009390 444485011 /nfs/dbraw/zinc/48/50/11/444485011.db2.gz VHDUQIBSDBUEHD-JTDSTZFVSA-N 2 2 343.471 1.739 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338009390 444485015 /nfs/dbraw/zinc/48/50/15/444485015.db2.gz VHDUQIBSDBUEHD-JTDSTZFVSA-N 2 2 343.471 1.739 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000340711000 444485397 /nfs/dbraw/zinc/48/53/97/444485397.db2.gz ILONAWGSWODQMC-MRXNPFEDSA-N 2 2 341.459 1.555 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000580173321 322018535 /nfs/dbraw/zinc/01/85/35/322018535.db2.gz ZINHSMZYEIKETF-SFHVURJKSA-N 2 2 339.443 1.609 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000580228579 322026276 /nfs/dbraw/zinc/02/62/76/322026276.db2.gz GKRAJXQPQJSUJI-WFASDCNBSA-N 2 2 328.420 1.630 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000580340100 322039706 /nfs/dbraw/zinc/03/97/06/322039706.db2.gz DBKGFVNLHMWDIO-NJAFHUGGSA-N 2 2 346.475 1.357 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cn4c(n3)CCC4)CC2)CC1 ZINC000580434489 322050676 /nfs/dbraw/zinc/05/06/76/322050676.db2.gz MXOWWLVYVVKERS-UHFFFAOYSA-N 2 2 345.491 1.462 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cn4c(n3)CCC4)CC2)CC1 ZINC000580434489 322050678 /nfs/dbraw/zinc/05/06/78/322050678.db2.gz MXOWWLVYVVKERS-UHFFFAOYSA-N 2 2 345.491 1.462 20 0 EDADLP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000580645754 322077940 /nfs/dbraw/zinc/07/79/40/322077940.db2.gz XHFLIZXHQBWTMT-RDJZCZTQSA-N 2 2 328.416 1.693 20 0 EDADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cn2cc[nH+]c2)cc1 ZINC000580970956 322119241 /nfs/dbraw/zinc/11/92/41/322119241.db2.gz NEAKAVWQDYBVLM-QGZVFWFLSA-N 2 2 328.416 1.845 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581080007 322133921 /nfs/dbraw/zinc/13/39/21/322133921.db2.gz JFDCRVWETPIZSL-ZHALLVOQSA-N 2 2 345.487 1.732 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581080007 322133923 /nfs/dbraw/zinc/13/39/23/322133923.db2.gz JFDCRVWETPIZSL-ZHALLVOQSA-N 2 2 345.487 1.732 20 0 EDADLP C[C@H](CNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000581246215 322154281 /nfs/dbraw/zinc/15/42/81/322154281.db2.gz LZNDDZBEGPIOJM-SOAMZJECSA-N 2 2 349.519 1.567 20 0 EDADLP C[C@H](CNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000581246215 322154283 /nfs/dbraw/zinc/15/42/83/322154283.db2.gz LZNDDZBEGPIOJM-SOAMZJECSA-N 2 2 349.519 1.567 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000581258531 322156837 /nfs/dbraw/zinc/15/68/37/322156837.db2.gz DZKZHPMDCRVRBF-QGZVFWFLSA-N 2 2 344.459 1.170 20 0 EDADLP CC(C)(C)c1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000581321495 322163957 /nfs/dbraw/zinc/16/39/57/322163957.db2.gz NHXCAOANFMKPFH-QWHCGFSZSA-N 2 2 345.491 1.820 20 0 EDADLP CC(C)(CNC(=O)c1cc(C[NH+]2CCCC2)on1)[NH+]1CCOCC1 ZINC000581700217 322209663 /nfs/dbraw/zinc/20/96/63/322209663.db2.gz VJCUZNZNRLNZIE-UHFFFAOYSA-N 2 2 336.436 1.111 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000332816339 444562256 /nfs/dbraw/zinc/56/22/56/444562256.db2.gz GCPHYWXOWVUOAR-DZGCQCFKSA-N 2 2 349.397 1.117 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000332816339 444562258 /nfs/dbraw/zinc/56/22/58/444562258.db2.gz GCPHYWXOWVUOAR-DZGCQCFKSA-N 2 2 349.397 1.117 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000341010234 444629375 /nfs/dbraw/zinc/62/93/75/444629375.db2.gz BZOFBLZEHGNEFN-GVDBMIGSSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000341010234 444629379 /nfs/dbraw/zinc/62/93/79/444629379.db2.gz BZOFBLZEHGNEFN-GVDBMIGSSA-N 2 2 336.480 1.119 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000342264159 444599093 /nfs/dbraw/zinc/59/90/93/444599093.db2.gz KNFODNZUKGJXNJ-CABCVRRESA-N 2 2 349.479 1.032 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000338282719 444609914 /nfs/dbraw/zinc/60/99/14/444609914.db2.gz IUYOGIHYNWSRES-UHFFFAOYSA-N 2 2 349.479 1.172 20 0 EDADLP CC[C@@H](C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000338293185 444614876 /nfs/dbraw/zinc/61/48/76/444614876.db2.gz XEFNJCTVQDUIHH-GDBMZVCRSA-N 2 2 341.496 1.497 20 0 EDADLP Cc1ccc(CCC[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c[nH+]1 ZINC000343842337 444622014 /nfs/dbraw/zinc/62/20/14/444622014.db2.gz APQAMNJAFYHQIV-ZWKOTPCHSA-N 2 2 331.460 1.925 20 0 EDADLP c1c(CNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)[nH+]c2n1CCCC2 ZINC000333189671 444646257 /nfs/dbraw/zinc/64/62/57/444646257.db2.gz VJZDWEDGDSIWDE-CYBMUJFWSA-N 2 2 328.420 2.212 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc3ccccn23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343983608 444709558 /nfs/dbraw/zinc/70/95/58/444709558.db2.gz OAOPVWWYXZGJJI-SJLPKXTDSA-N 2 2 327.476 1.792 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343983608 444709562 /nfs/dbraw/zinc/70/95/62/444709562.db2.gz OAOPVWWYXZGJJI-SJLPKXTDSA-N 2 2 327.476 1.792 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC(=O)NC1CCCCC1 ZINC000333893176 444710399 /nfs/dbraw/zinc/71/03/99/444710399.db2.gz XOIONIWETNJJLT-GDBMZVCRSA-N 2 2 336.480 1.609 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC(=O)NC1CCCCC1 ZINC000333893176 444710402 /nfs/dbraw/zinc/71/04/02/444710402.db2.gz XOIONIWETNJJLT-GDBMZVCRSA-N 2 2 336.480 1.609 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)C[C@@H]12 ZINC000333926797 444720929 /nfs/dbraw/zinc/72/09/29/444720929.db2.gz VUGGWEOIDVXXJP-GVDBMIGSSA-N 2 2 343.475 1.951 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000341123073 444684758 /nfs/dbraw/zinc/68/47/58/444684758.db2.gz KRFPNSFJDZMHRP-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000341123073 444684762 /nfs/dbraw/zinc/68/47/62/444684762.db2.gz KRFPNSFJDZMHRP-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000341123073 444684768 /nfs/dbraw/zinc/68/47/68/444684768.db2.gz KRFPNSFJDZMHRP-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000341123073 444684773 /nfs/dbraw/zinc/68/47/73/444684773.db2.gz KRFPNSFJDZMHRP-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP CN(C)c1nccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)n1 ZINC000342424606 444686512 /nfs/dbraw/zinc/68/65/12/444686512.db2.gz WWOVSLFSPHSUCY-UHFFFAOYSA-N 2 2 344.463 1.558 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@](F)(CO)C3)CC2)c1 ZINC000338590232 444760428 /nfs/dbraw/zinc/76/04/28/444760428.db2.gz FIGWBTFILXVITJ-IBGZPJMESA-N 2 2 349.450 1.046 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@](F)(CO)C3)CC2)c1 ZINC000338590232 444760432 /nfs/dbraw/zinc/76/04/32/444760432.db2.gz FIGWBTFILXVITJ-IBGZPJMESA-N 2 2 349.450 1.046 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338595221 444764713 /nfs/dbraw/zinc/76/47/13/444764713.db2.gz SEZVPNGFUXCYEQ-LPHOPBHVSA-N 2 2 349.450 1.298 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338595221 444764718 /nfs/dbraw/zinc/76/47/18/444764718.db2.gz SEZVPNGFUXCYEQ-LPHOPBHVSA-N 2 2 349.450 1.298 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCC(=O)NC3(C)C)c2cc1C ZINC000338599813 444769141 /nfs/dbraw/zinc/76/91/41/444769141.db2.gz ROYHETDASROGRD-YOEHRIQHSA-N 2 2 344.459 1.661 20 0 EDADLP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCS(=O)(=O)CC1 ZINC000329939620 444779061 /nfs/dbraw/zinc/77/90/61/444779061.db2.gz BDKZYFRCVSIEJO-HNNXBMFYSA-N 2 2 344.521 1.434 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)c1cccc(F)c1 ZINC000342697646 444820926 /nfs/dbraw/zinc/82/09/26/444820926.db2.gz SQWPTLXNSIWGTB-KGLIPLIRSA-N 2 2 329.366 1.789 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000330022836 444814007 /nfs/dbraw/zinc/81/40/07/444814007.db2.gz HSNSKMGFOFQETB-VXGBXAGGSA-N 2 2 330.436 1.387 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000330022836 444814012 /nfs/dbraw/zinc/81/40/12/444814012.db2.gz HSNSKMGFOFQETB-VXGBXAGGSA-N 2 2 330.436 1.387 20 0 EDADLP Cc1nc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c(C)s1 ZINC000336874239 444819330 /nfs/dbraw/zinc/81/93/30/444819330.db2.gz VVKKJSFMXXRIQO-UHFFFAOYSA-N 2 2 332.477 1.938 20 0 EDADLP C[C@H]1C[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344194111 444833142 /nfs/dbraw/zinc/83/31/42/444833142.db2.gz PBGFENJULCDBBN-DLBZAZTESA-N 2 2 345.487 1.865 20 0 EDADLP C[C@H]1C[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000344194111 444833146 /nfs/dbraw/zinc/83/31/46/444833146.db2.gz PBGFENJULCDBBN-DLBZAZTESA-N 2 2 345.487 1.865 20 0 EDADLP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[NH+](CCc2cccs2)CC1 ZINC000342764234 444854828 /nfs/dbraw/zinc/85/48/28/444854828.db2.gz GRRBSPHPBJHZAX-AWEZNQCLSA-N 2 2 343.443 1.680 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000342803152 444873386 /nfs/dbraw/zinc/87/33/86/444873386.db2.gz VFZZYHKKGNAFEP-HNNXBMFYSA-N 2 2 339.480 1.393 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000341579399 444905015 /nfs/dbraw/zinc/90/50/15/444905015.db2.gz FAQWPPYUKOKENV-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000341579399 444905016 /nfs/dbraw/zinc/90/50/16/444905016.db2.gz FAQWPPYUKOKENV-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP COc1ccc(C[C@@](C)([NH3+])CNc2nc(C)[nH+]c(N(C)C)n2)cc1 ZINC000339040494 445002812 /nfs/dbraw/zinc/00/28/12/445002812.db2.gz PMUOYVJTVUXKDA-QGZVFWFLSA-N 2 2 330.436 1.627 20 0 EDADLP OC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341910808 445068206 /nfs/dbraw/zinc/06/82/06/445068206.db2.gz MCGZDTYUEMLMAV-UXHICEINSA-N 2 2 348.487 1.655 20 0 EDADLP OC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000341910808 445068211 /nfs/dbraw/zinc/06/82/11/445068211.db2.gz MCGZDTYUEMLMAV-UXHICEINSA-N 2 2 348.487 1.655 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](C4CC4)C3)CC2)CC1 ZINC000343127043 445082749 /nfs/dbraw/zinc/08/27/49/445082749.db2.gz UMKUTULHNWOEMR-MRXNPFEDSA-N 2 2 334.508 1.987 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCC[C@@H]1C ZINC000343133860 445086531 /nfs/dbraw/zinc/08/65/31/445086531.db2.gz SGZSUGUJIKTULG-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCC[C@@H]1C ZINC000343133860 445086535 /nfs/dbraw/zinc/08/65/35/445086535.db2.gz SGZSUGUJIKTULG-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000343133860 445086538 /nfs/dbraw/zinc/08/65/38/445086538.db2.gz SGZSUGUJIKTULG-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@H+]1CCCC[C@@H]1C ZINC000343133860 445086541 /nfs/dbraw/zinc/08/65/41/445086541.db2.gz SGZSUGUJIKTULG-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)C1CC[NH+](CC(F)F)CC1 ZINC000343075377 445045331 /nfs/dbraw/zinc/04/53/31/445045331.db2.gz ZZGVXNHDFJUSDX-UHFFFAOYSA-N 2 2 333.423 1.192 20 0 EDADLP COC(=O)c1occc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344541632 445045957 /nfs/dbraw/zinc/04/59/57/445045957.db2.gz VVUMXRAKUXZYKW-IBGZPJMESA-N 2 2 344.411 1.793 20 0 EDADLP COC(=O)c1occc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541632 445045961 /nfs/dbraw/zinc/04/59/61/445045961.db2.gz VVUMXRAKUXZYKW-IBGZPJMESA-N 2 2 344.411 1.793 20 0 EDADLP CCn1nc(C)c(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000342040018 445138958 /nfs/dbraw/zinc/13/89/58/445138958.db2.gz AUJMCFFXZFLEQB-UHFFFAOYSA-N 2 2 335.496 1.205 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@H](C)O1 ZINC000339233051 445104162 /nfs/dbraw/zinc/10/41/62/445104162.db2.gz MTNMPBZNUJJXLY-GASCZTMLSA-N 2 2 348.491 1.761 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@H](C)O1 ZINC000339233051 445104163 /nfs/dbraw/zinc/10/41/63/445104163.db2.gz MTNMPBZNUJJXLY-GASCZTMLSA-N 2 2 348.491 1.761 20 0 EDADLP O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000337503962 445108614 /nfs/dbraw/zinc/10/86/14/445108614.db2.gz NIJSENZSOAWRIA-UHFFFAOYSA-N 2 2 340.383 1.634 20 0 EDADLP CC[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339261294 445121254 /nfs/dbraw/zinc/12/12/54/445121254.db2.gz XZUHMMIXOBJVCC-SJORKVTESA-N 2 2 341.496 1.104 20 0 EDADLP CC[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339261294 445121255 /nfs/dbraw/zinc/12/12/55/445121255.db2.gz XZUHMMIXOBJVCC-SJORKVTESA-N 2 2 341.496 1.104 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000339546036 445149292 /nfs/dbraw/zinc/14/92/92/445149292.db2.gz IRZUKXZGCJVJDR-IBGZPJMESA-N 3 2 340.471 1.656 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000339546036 445149294 /nfs/dbraw/zinc/14/92/94/445149294.db2.gz IRZUKXZGCJVJDR-IBGZPJMESA-N 3 2 340.471 1.656 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000344980275 445154967 /nfs/dbraw/zinc/15/49/67/445154967.db2.gz OCWGHOPBVJIPQU-HOCLYGCPSA-N 2 2 336.480 1.982 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000344980275 445154971 /nfs/dbraw/zinc/15/49/71/445154971.db2.gz OCWGHOPBVJIPQU-HOCLYGCPSA-N 2 2 336.480 1.982 20 0 EDADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000345035075 445157690 /nfs/dbraw/zinc/15/76/90/445157690.db2.gz OOXNJWTXNNWLII-CZUORRHYSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345035075 445157692 /nfs/dbraw/zinc/15/76/92/445157692.db2.gz OOXNJWTXNNWLII-CZUORRHYSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000345035075 445157697 /nfs/dbraw/zinc/15/76/97/445157697.db2.gz OOXNJWTXNNWLII-CZUORRHYSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345035075 445157702 /nfs/dbraw/zinc/15/77/02/445157702.db2.gz OOXNJWTXNNWLII-CZUORRHYSA-N 2 2 344.415 1.131 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(CN3C[C@@H]4[C@H](C3)OCC[NH+]4C)sc2C1 ZINC000346200856 445207727 /nfs/dbraw/zinc/20/77/27/445207727.db2.gz HRHBEHFKNLOMHK-CABCVRRESA-N 2 2 336.505 1.424 20 0 EDADLP CC(C)[N@H+]1CCc2nc(CN3C[C@@H]4[C@H](C3)OCC[NH+]4C)sc2C1 ZINC000346200856 445207729 /nfs/dbraw/zinc/20/77/29/445207729.db2.gz HRHBEHFKNLOMHK-CABCVRRESA-N 2 2 336.505 1.424 20 0 EDADLP CC(C)[NH+]1CCc2nc(CN3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)sc2C1 ZINC000346200856 445207730 /nfs/dbraw/zinc/20/77/30/445207730.db2.gz HRHBEHFKNLOMHK-CABCVRRESA-N 2 2 336.505 1.424 20 0 EDADLP CC(C)[NH+]1CCc2nc(CN3C[C@@H]4[C@H](C3)OCC[N@H+]4C)sc2C1 ZINC000346200856 445207731 /nfs/dbraw/zinc/20/77/31/445207731.db2.gz HRHBEHFKNLOMHK-CABCVRRESA-N 2 2 336.505 1.424 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)C[C@@H]1CC ZINC000343380142 445213148 /nfs/dbraw/zinc/21/31/48/445213148.db2.gz ADWPKDOAGCTPAM-HOTGVXAUSA-N 2 2 343.537 1.383 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)C[C@@H]1CC ZINC000343380142 445213150 /nfs/dbraw/zinc/21/31/50/445213150.db2.gz ADWPKDOAGCTPAM-HOTGVXAUSA-N 2 2 343.537 1.383 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)C[C@@H]1CC ZINC000343380142 445213151 /nfs/dbraw/zinc/21/31/51/445213151.db2.gz ADWPKDOAGCTPAM-HOTGVXAUSA-N 2 2 343.537 1.383 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@@H]1CC ZINC000343380142 445213153 /nfs/dbraw/zinc/21/31/53/445213153.db2.gz ADWPKDOAGCTPAM-HOTGVXAUSA-N 2 2 343.537 1.383 20 0 EDADLP C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCSCC1 ZINC000343388016 445213959 /nfs/dbraw/zinc/21/39/59/445213959.db2.gz NSCKJLVTVQRFGC-AWEZNQCLSA-N 2 2 330.457 1.926 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000347273398 445235257 /nfs/dbraw/zinc/23/52/57/445235257.db2.gz LFINMAFLTGTHCX-JKSUJKDBSA-N 2 2 349.479 1.527 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000347273398 445235260 /nfs/dbraw/zinc/23/52/60/445235260.db2.gz LFINMAFLTGTHCX-JKSUJKDBSA-N 2 2 349.479 1.527 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1OC ZINC000343557460 445243583 /nfs/dbraw/zinc/24/35/83/445243583.db2.gz CENGWFCHMWEMOY-UKRRQHHQSA-N 2 2 335.448 1.250 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1OC ZINC000343557460 445243584 /nfs/dbraw/zinc/24/35/84/445243584.db2.gz CENGWFCHMWEMOY-UKRRQHHQSA-N 2 2 335.448 1.250 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000348224298 445321596 /nfs/dbraw/zinc/32/15/96/445321596.db2.gz JCUCVHQQMAGERA-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000348224298 445321598 /nfs/dbraw/zinc/32/15/98/445321598.db2.gz JCUCVHQQMAGERA-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351811022 445330034 /nfs/dbraw/zinc/33/00/34/445330034.db2.gz ONDHFRLSBXZVIT-NUJGCVRESA-N 2 2 331.460 1.204 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351811022 445330037 /nfs/dbraw/zinc/33/00/37/445330037.db2.gz ONDHFRLSBXZVIT-NUJGCVRESA-N 2 2 331.460 1.204 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC[N@@H+](C)C3CC3)c2)cc[nH+]1 ZINC000348574360 445330772 /nfs/dbraw/zinc/33/07/72/445330772.db2.gz JRPAXACAZXIORO-UHFFFAOYSA-N 2 2 339.443 2.221 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC[N@H+](C)C3CC3)c2)cc[nH+]1 ZINC000348574360 445330775 /nfs/dbraw/zinc/33/07/75/445330775.db2.gz JRPAXACAZXIORO-UHFFFAOYSA-N 2 2 339.443 2.221 20 0 EDADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C(N)=O)C1 ZINC000351822874 445333544 /nfs/dbraw/zinc/33/35/44/445333544.db2.gz YRZIKQHUVFDRQM-MJGOQNOKSA-N 2 2 344.503 1.785 20 0 EDADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C(N)=O)C1 ZINC000351822874 445333548 /nfs/dbraw/zinc/33/35/48/445333548.db2.gz YRZIKQHUVFDRQM-MJGOQNOKSA-N 2 2 344.503 1.785 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000351849768 445343158 /nfs/dbraw/zinc/34/31/58/445343158.db2.gz HGKSHDPHAWLZDS-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000351849768 445343160 /nfs/dbraw/zinc/34/31/60/445343160.db2.gz HGKSHDPHAWLZDS-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP COc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(OC)c1 ZINC000362375107 445351141 /nfs/dbraw/zinc/35/11/41/445351141.db2.gz ACQLQZNBFOVQED-QGZVFWFLSA-N 2 2 333.476 1.916 20 0 EDADLP COc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(OC)c1 ZINC000362375107 445351143 /nfs/dbraw/zinc/35/11/43/445351143.db2.gz ACQLQZNBFOVQED-QGZVFWFLSA-N 2 2 333.476 1.916 20 0 EDADLP Cc1nc(NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)c(C)c(C)[nH+]1 ZINC000359663497 445364177 /nfs/dbraw/zinc/36/41/77/445364177.db2.gz WJNLAXKNYUMYAO-CVEARBPZSA-N 2 2 332.427 2.160 20 0 EDADLP Cc1nc(NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)c(C)c(C)[nH+]1 ZINC000359663497 445364184 /nfs/dbraw/zinc/36/41/84/445364184.db2.gz WJNLAXKNYUMYAO-CVEARBPZSA-N 2 2 332.427 2.160 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000357000097 445369021 /nfs/dbraw/zinc/36/90/21/445369021.db2.gz LCCHUHYGDHQYEO-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000357000097 445369024 /nfs/dbraw/zinc/36/90/24/445369024.db2.gz LCCHUHYGDHQYEO-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc[nH+]1 ZINC000362424217 445374977 /nfs/dbraw/zinc/37/49/77/445374977.db2.gz GKXRFNBIPZPVSX-YOEHRIQHSA-N 2 2 331.464 1.302 20 0 EDADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357071661 445407137 /nfs/dbraw/zinc/40/71/37/445407137.db2.gz GWNWCSRNEWZEPS-STQMWFEESA-N 2 2 339.842 1.979 20 0 EDADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357071661 445407143 /nfs/dbraw/zinc/40/71/43/445407143.db2.gz GWNWCSRNEWZEPS-STQMWFEESA-N 2 2 339.842 1.979 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000362503537 445414985 /nfs/dbraw/zinc/41/49/85/445414985.db2.gz XYABEZHPKAMXOP-KRWDZBQOSA-N 2 2 346.475 1.028 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000357087909 445419775 /nfs/dbraw/zinc/41/97/75/445419775.db2.gz SMKLHSBGHSADIR-LSDHHAIUSA-N 2 2 330.432 1.493 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000357087909 445419778 /nfs/dbraw/zinc/41/97/78/445419778.db2.gz SMKLHSBGHSADIR-LSDHHAIUSA-N 2 2 330.432 1.493 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357087891 445420256 /nfs/dbraw/zinc/42/02/56/445420256.db2.gz SMEFJCJXYFMRRT-NUEKZKHPSA-N 2 2 347.459 1.250 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357087891 445420259 /nfs/dbraw/zinc/42/02/59/445420259.db2.gz SMEFJCJXYFMRRT-NUEKZKHPSA-N 2 2 347.459 1.250 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354866000 445429683 /nfs/dbraw/zinc/42/96/83/445429683.db2.gz RNLNBBSISITGKQ-KBPBESRZSA-N 2 2 340.443 1.511 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348815801 445399088 /nfs/dbraw/zinc/39/90/88/445399088.db2.gz GPFAZSKFWVPLHY-SJORKVTESA-N 2 2 344.503 1.185 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348815801 445399094 /nfs/dbraw/zinc/39/90/94/445399094.db2.gz GPFAZSKFWVPLHY-SJORKVTESA-N 2 2 344.503 1.185 20 0 EDADLP CCN1CC[N@H+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1=O ZINC000348819014 445399781 /nfs/dbraw/zinc/39/97/81/445399781.db2.gz UUBFKOYZSDVHDP-HNNXBMFYSA-N 2 2 330.432 1.178 20 0 EDADLP CCN1CC[N@@H+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1=O ZINC000348819014 445399788 /nfs/dbraw/zinc/39/97/88/445399788.db2.gz UUBFKOYZSDVHDP-HNNXBMFYSA-N 2 2 330.432 1.178 20 0 EDADLP CCN1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1=O ZINC000348819014 445399791 /nfs/dbraw/zinc/39/97/91/445399791.db2.gz UUBFKOYZSDVHDP-HNNXBMFYSA-N 2 2 330.432 1.178 20 0 EDADLP CCN1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1=O ZINC000348819014 445399796 /nfs/dbraw/zinc/39/97/96/445399796.db2.gz UUBFKOYZSDVHDP-HNNXBMFYSA-N 2 2 330.432 1.178 20 0 EDADLP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C[N@@H+]1C ZINC000352003511 445430817 /nfs/dbraw/zinc/43/08/17/445430817.db2.gz LZHZSXBFMZPRFF-CABCVRRESA-N 2 2 333.480 1.183 20 0 EDADLP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@@H](C)C[N@H+]1C ZINC000352003511 445430820 /nfs/dbraw/zinc/43/08/20/445430820.db2.gz LZHZSXBFMZPRFF-CABCVRRESA-N 2 2 333.480 1.183 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357207378 445481677 /nfs/dbraw/zinc/48/16/77/445481677.db2.gz YQXNRKDDDXTEEW-RTBURBONSA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357207378 445481682 /nfs/dbraw/zinc/48/16/82/445481682.db2.gz YQXNRKDDDXTEEW-RTBURBONSA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357207378 445481686 /nfs/dbraw/zinc/48/16/86/445481686.db2.gz YQXNRKDDDXTEEW-RTBURBONSA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357207378 445481690 /nfs/dbraw/zinc/48/16/90/445481690.db2.gz YQXNRKDDDXTEEW-RTBURBONSA-N 2 2 345.487 1.481 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352024027 445447308 /nfs/dbraw/zinc/44/73/08/445447308.db2.gz CIVVWPIAYFPBTI-UHFFFAOYSA-N 2 2 328.359 1.897 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352024027 445447313 /nfs/dbraw/zinc/44/73/13/445447313.db2.gz CIVVWPIAYFPBTI-UHFFFAOYSA-N 2 2 328.359 1.897 20 0 EDADLP O=C(COc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000357138415 445449120 /nfs/dbraw/zinc/44/91/20/445449120.db2.gz WSXRJBFVXNEKSI-WMZOPIPTSA-N 2 2 343.471 1.729 20 0 EDADLP O=C(COc1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000357138415 445449123 /nfs/dbraw/zinc/44/91/23/445449123.db2.gz WSXRJBFVXNEKSI-WMZOPIPTSA-N 2 2 343.471 1.729 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000359859473 445463971 /nfs/dbraw/zinc/46/39/71/445463971.db2.gz RXYBXJMQHBLLEY-UHFFFAOYSA-N 3 2 345.535 1.662 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(F)c(O)c(F)c3)C2)CC1 ZINC000359864876 445466413 /nfs/dbraw/zinc/46/64/13/445466413.db2.gz DZJYTYOIQULPGV-GFCCVEGCSA-N 2 2 339.386 1.569 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(F)c(O)c(F)c3)C2)CC1 ZINC000359864876 445466415 /nfs/dbraw/zinc/46/64/15/445466415.db2.gz DZJYTYOIQULPGV-GFCCVEGCSA-N 2 2 339.386 1.569 20 0 EDADLP COC[C@@]1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000357255124 445509995 /nfs/dbraw/zinc/50/99/95/445509995.db2.gz FNXFTNOSFBFCOG-IBGZPJMESA-N 2 2 347.459 1.017 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000355903196 445524902 /nfs/dbraw/zinc/52/49/02/445524902.db2.gz ZMRNCEOYOFLUTN-CABCVRRESA-N 2 2 349.479 1.194 20 0 EDADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(C)n1 ZINC000362680638 445496441 /nfs/dbraw/zinc/49/64/41/445496441.db2.gz JUQHHVFNQWBVFA-OAHLLOKOSA-N 2 2 332.448 1.103 20 0 EDADLP COc1cc(C)c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(C)n1 ZINC000362680638 445496444 /nfs/dbraw/zinc/49/64/44/445496444.db2.gz JUQHHVFNQWBVFA-OAHLLOKOSA-N 2 2 332.448 1.103 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000359939836 445497961 /nfs/dbraw/zinc/49/79/61/445497961.db2.gz OMEZBZPXAFQKLB-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP CCCOc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362696270 445504516 /nfs/dbraw/zinc/50/45/16/445504516.db2.gz XEXYSTXVJYGOBJ-QGZVFWFLSA-N 2 2 331.460 1.872 20 0 EDADLP CCCOc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362696270 445504520 /nfs/dbraw/zinc/50/45/20/445504520.db2.gz XEXYSTXVJYGOBJ-QGZVFWFLSA-N 2 2 331.460 1.872 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000355853499 445506073 /nfs/dbraw/zinc/50/60/73/445506073.db2.gz FYHJLAZSTKXICZ-UHFFFAOYSA-N 2 2 334.395 1.867 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000360029418 445536174 /nfs/dbraw/zinc/53/61/74/445536174.db2.gz NFIMDEIJQWZSAC-RDJZCZTQSA-N 2 2 346.475 1.164 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000360029418 445536178 /nfs/dbraw/zinc/53/61/78/445536178.db2.gz NFIMDEIJQWZSAC-RDJZCZTQSA-N 2 2 346.475 1.164 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362806749 445558389 /nfs/dbraw/zinc/55/83/89/445558389.db2.gz FOXWWYABAVLOSK-NVXWUHKLSA-N 2 2 331.460 1.963 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362806749 445558392 /nfs/dbraw/zinc/55/83/92/445558392.db2.gz FOXWWYABAVLOSK-NVXWUHKLSA-N 2 2 331.460 1.963 20 0 EDADLP c1ccc(-n2nnnc2CC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625554420 450425089 /nfs/dbraw/zinc/42/50/89/450425089.db2.gz VIUJVNONAYFURZ-UHFFFAOYSA-N 2 2 342.447 1.001 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000360104681 445569705 /nfs/dbraw/zinc/56/97/05/445569705.db2.gz MKYIGGOIXSRQPK-UHFFFAOYSA-N 2 2 333.411 1.833 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@]2(C)CCCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000357811050 445584388 /nfs/dbraw/zinc/58/43/88/445584388.db2.gz DESNGKDJKLTRHQ-SFHVURJKSA-N 3 2 336.524 1.585 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355942300 445538268 /nfs/dbraw/zinc/53/82/68/445538268.db2.gz QPDPQKKLKBDHDO-CVEARBPZSA-N 2 2 332.448 1.330 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355942300 445538271 /nfs/dbraw/zinc/53/82/71/445538271.db2.gz QPDPQKKLKBDHDO-CVEARBPZSA-N 2 2 332.448 1.330 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358134355 445606380 /nfs/dbraw/zinc/60/63/80/445606380.db2.gz IYDUQHFJQNWYLX-INIZCTEOSA-N 2 2 333.480 1.950 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358134355 445606383 /nfs/dbraw/zinc/60/63/83/445606383.db2.gz IYDUQHFJQNWYLX-INIZCTEOSA-N 2 2 333.480 1.950 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000353464512 445614235 /nfs/dbraw/zinc/61/42/35/445614235.db2.gz YESSRZVIRJIEHQ-WBVHZDCISA-N 2 2 333.480 1.069 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000356117574 445630695 /nfs/dbraw/zinc/63/06/95/445630695.db2.gz NQPAOSCHUXQJCY-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000356117574 445630698 /nfs/dbraw/zinc/63/06/98/445630698.db2.gz NQPAOSCHUXQJCY-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCn2cc[nH+]c2C1 ZINC000349661980 445639047 /nfs/dbraw/zinc/63/90/47/445639047.db2.gz HSYANYSTTZQOGX-AWEZNQCLSA-N 2 2 329.404 1.838 20 0 EDADLP CSC1(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000356179870 445664238 /nfs/dbraw/zinc/66/42/38/445664238.db2.gz XCNXHMZYTNXRTP-UHFFFAOYSA-N 2 2 335.521 1.864 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CN(C)c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000363106413 445680544 /nfs/dbraw/zinc/68/05/44/445680544.db2.gz LFJIMANDYHEPQC-OAHLLOKOSA-N 2 2 329.448 1.796 20 0 EDADLP Cc1nc(C)n(C[C@H]2C[N@H+](CCCc3ccc(C)[nH+]c3)CCO2)n1 ZINC000353626695 445681669 /nfs/dbraw/zinc/68/16/69/445681669.db2.gz QMDMUJJQSAYTRN-GOSISDBHSA-N 2 2 329.448 1.932 20 0 EDADLP Cc1nc(C)n(C[C@H]2C[N@@H+](CCCc3ccc(C)[nH+]c3)CCO2)n1 ZINC000353626695 445681673 /nfs/dbraw/zinc/68/16/73/445681673.db2.gz QMDMUJJQSAYTRN-GOSISDBHSA-N 2 2 329.448 1.932 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000356221915 445684188 /nfs/dbraw/zinc/68/41/88/445684188.db2.gz ISXZIVFDNNEDCS-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@H+]1CCCC[C@H]1C ZINC000356221915 445684193 /nfs/dbraw/zinc/68/41/93/445684193.db2.gz ISXZIVFDNNEDCS-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000349831845 445691417 /nfs/dbraw/zinc/69/14/17/445691417.db2.gz ILZVDCLFPAGOAZ-UHFFFAOYSA-N 2 2 328.416 1.699 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC([N@H+](C)CCO)CC3)nc[nH+]2)C1 ZINC000349870795 445705285 /nfs/dbraw/zinc/70/52/85/445705285.db2.gz WWOBVDKOHKISRN-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC([N@@H+](C)CCO)CC3)nc[nH+]2)C1 ZINC000349870795 445705290 /nfs/dbraw/zinc/70/52/90/445705290.db2.gz WWOBVDKOHKISRN-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC([N@H+](C)CCO)CC3)[nH+]cn2)C1 ZINC000349870795 445705292 /nfs/dbraw/zinc/70/52/92/445705292.db2.gz WWOBVDKOHKISRN-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC([N@@H+](C)CCO)CC3)[nH+]cn2)C1 ZINC000349870795 445705298 /nfs/dbraw/zinc/70/52/98/445705298.db2.gz WWOBVDKOHKISRN-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625554727 450425946 /nfs/dbraw/zinc/42/59/46/450425946.db2.gz NCXJHCYJFXEXNQ-GOSISDBHSA-N 2 2 334.460 1.531 20 0 EDADLP CC(C)C[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000363249907 445739981 /nfs/dbraw/zinc/73/99/81/445739981.db2.gz GKYPDYGNNMFOBK-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP CC(C)C[N@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000363249907 445739983 /nfs/dbraw/zinc/73/99/83/445739983.db2.gz GKYPDYGNNMFOBK-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP CC(C)C[NH+]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000363249907 445739989 /nfs/dbraw/zinc/73/99/89/445739989.db2.gz GKYPDYGNNMFOBK-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP Cc1cc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)no1 ZINC000361072641 445747677 /nfs/dbraw/zinc/74/76/77/445747677.db2.gz IZAAEJYLHQJYQU-UHFFFAOYSA-N 2 2 331.420 2.310 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000358747340 445755884 /nfs/dbraw/zinc/75/58/84/445755884.db2.gz HMIPAEBVKJYWTC-ZWKOTPCHSA-N 2 2 339.443 1.495 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000358747340 445755889 /nfs/dbraw/zinc/75/58/89/445755889.db2.gz HMIPAEBVKJYWTC-ZWKOTPCHSA-N 2 2 339.443 1.495 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000350077295 445762552 /nfs/dbraw/zinc/76/25/52/445762552.db2.gz QZANXUTZVHMELK-INIZCTEOSA-N 2 2 334.464 1.701 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000350148504 445779949 /nfs/dbraw/zinc/77/99/49/445779949.db2.gz CCIUMUOZPDSNOO-CABCVRRESA-N 2 2 338.452 1.743 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000350148504 445779956 /nfs/dbraw/zinc/77/99/56/445779956.db2.gz CCIUMUOZPDSNOO-CABCVRRESA-N 2 2 338.452 1.743 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000361520222 445800707 /nfs/dbraw/zinc/80/07/07/445800707.db2.gz SDEMQPFNFHLMQA-IYBDPMFKSA-N 2 2 346.475 1.717 20 0 EDADLP C[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(C)(C)C[NH+](C)C ZINC000358844633 445805897 /nfs/dbraw/zinc/80/58/97/445805897.db2.gz DMWSWVGJAJFLPI-KBPBESRZSA-N 2 2 349.479 1.208 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21 ZINC000363846606 445879135 /nfs/dbraw/zinc/87/91/35/445879135.db2.gz MUIXRTPDKFNBJQ-CFLQYTFWSA-N 2 2 343.471 1.825 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21 ZINC000363846606 445879139 /nfs/dbraw/zinc/87/91/39/445879139.db2.gz MUIXRTPDKFNBJQ-CFLQYTFWSA-N 2 2 343.471 1.825 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000350681700 445879548 /nfs/dbraw/zinc/87/95/48/445879548.db2.gz LIKQAMDMMOTHKX-MRXNPFEDSA-N 2 2 340.512 1.167 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)C1 ZINC000356602007 445880163 /nfs/dbraw/zinc/88/01/63/445880163.db2.gz UOVSUUGCAYTBBR-CRAIPNDOSA-N 2 2 346.475 1.564 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)C1 ZINC000356602007 445880166 /nfs/dbraw/zinc/88/01/66/445880166.db2.gz UOVSUUGCAYTBBR-CRAIPNDOSA-N 2 2 346.475 1.564 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353985609 445840555 /nfs/dbraw/zinc/84/05/55/445840555.db2.gz DGKPNVQZVWKJEX-JJIJKTDDSA-N 3 2 336.524 1.388 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353985609 445840558 /nfs/dbraw/zinc/84/05/58/445840558.db2.gz DGKPNVQZVWKJEX-JJIJKTDDSA-N 3 2 336.524 1.388 20 0 EDADLP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353985609 445840560 /nfs/dbraw/zinc/84/05/60/445840560.db2.gz DGKPNVQZVWKJEX-JJIJKTDDSA-N 3 2 336.524 1.388 20 0 EDADLP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353985609 445840563 /nfs/dbraw/zinc/84/05/63/445840563.db2.gz DGKPNVQZVWKJEX-JJIJKTDDSA-N 3 2 336.524 1.388 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccn1 ZINC000361616337 445848679 /nfs/dbraw/zinc/84/86/79/445848679.db2.gz LWKRARPRFBVNBK-SFHVURJKSA-N 2 2 340.427 1.344 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000350723959 445888335 /nfs/dbraw/zinc/88/83/35/445888335.db2.gz GOYPGVLEQOAPRH-PKOBYXMFSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000350723959 445888339 /nfs/dbraw/zinc/88/83/39/445888339.db2.gz GOYPGVLEQOAPRH-PKOBYXMFSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H]4CCC[C@H]43)CC2)cc1 ZINC000350723957 445888528 /nfs/dbraw/zinc/88/85/28/445888528.db2.gz GOYPGVLEQOAPRH-IEBWSBKVSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H]4CCC[C@H]43)CC2)cc1 ZINC000350723957 445888532 /nfs/dbraw/zinc/88/85/32/445888532.db2.gz GOYPGVLEQOAPRH-IEBWSBKVSA-N 2 2 343.471 1.824 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000582041469 325757996 /nfs/dbraw/zinc/75/79/96/325757996.db2.gz RVOWJHUWLUQHBG-CABCVRRESA-N 2 2 327.432 1.896 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365964418 445931221 /nfs/dbraw/zinc/93/12/21/445931221.db2.gz CIFOMDHZCUYZKI-HNNXBMFYSA-N 2 2 330.457 1.527 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)NCC(F)(F)F)C2)c1 ZINC000372951100 445939693 /nfs/dbraw/zinc/93/96/93/445939693.db2.gz REUAMRRKARNVAC-LBPRGKRZSA-N 2 2 330.354 1.802 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)NCC(F)(F)F)C2)c1 ZINC000372951100 445939697 /nfs/dbraw/zinc/93/96/97/445939697.db2.gz REUAMRRKARNVAC-LBPRGKRZSA-N 2 2 330.354 1.802 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000363997412 445890295 /nfs/dbraw/zinc/89/02/95/445890295.db2.gz UQNJONUSGIXLET-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000363997412 445890300 /nfs/dbraw/zinc/89/03/00/445890300.db2.gz UQNJONUSGIXLET-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C(=O)[C@H](O)C1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364843874 445960774 /nfs/dbraw/zinc/96/07/74/445960774.db2.gz CHUYGTHOXKGIAO-ZWKOTPCHSA-N 2 2 337.508 1.555 20 0 EDADLP CN(C(=O)[C@H](O)C1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364843874 445960782 /nfs/dbraw/zinc/96/07/82/445960782.db2.gz CHUYGTHOXKGIAO-ZWKOTPCHSA-N 2 2 337.508 1.555 20 0 EDADLP c1cn2c([nH+]1)CC[C@H](c1nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)C2 ZINC000351026080 445974120 /nfs/dbraw/zinc/97/41/20/445974120.db2.gz OUBJYSHKEMNJDV-BFHYXJOUSA-N 2 2 329.404 1.922 20 0 EDADLP c1cn2c([nH+]1)CC[C@H](c1nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no1)C2 ZINC000351026080 445974125 /nfs/dbraw/zinc/97/41/25/445974125.db2.gz OUBJYSHKEMNJDV-BFHYXJOUSA-N 2 2 329.404 1.922 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nc(Cl)cs3)C2)CC1 ZINC000366049539 445982135 /nfs/dbraw/zinc/98/21/35/445982135.db2.gz AMCHTQBCXPCQMC-JTQLQIEISA-N 2 2 328.869 1.695 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nc(Cl)cs3)C2)CC1 ZINC000366049539 445982139 /nfs/dbraw/zinc/98/21/39/445982139.db2.gz AMCHTQBCXPCQMC-JTQLQIEISA-N 2 2 328.869 1.695 20 0 EDADLP CN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC[NH2+]CC1 ZINC000582714642 325908990 /nfs/dbraw/zinc/90/89/90/325908990.db2.gz JYKWPSMNEQPVGU-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C(C)(C)C ZINC000369264543 446031057 /nfs/dbraw/zinc/03/10/57/446031057.db2.gz BMHGFWGKMNAUPO-HNNXBMFYSA-N 2 2 347.507 1.845 20 0 EDADLP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C(C)(C)C ZINC000369264543 446031060 /nfs/dbraw/zinc/03/10/60/446031060.db2.gz BMHGFWGKMNAUPO-HNNXBMFYSA-N 2 2 347.507 1.845 20 0 EDADLP C[C@@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000365117195 446036279 /nfs/dbraw/zinc/03/62/79/446036279.db2.gz BWZCXRGJKCPTKA-PKOBYXMFSA-N 2 2 345.487 1.703 20 0 EDADLP C[N@H+](CCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)Cc1ccc(F)cc1 ZINC000359189496 446013819 /nfs/dbraw/zinc/01/38/19/446013819.db2.gz ZLGPTTXVBWLSOQ-OAHLLOKOSA-N 2 2 345.378 1.144 20 0 EDADLP C[N@@H+](CCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)Cc1ccc(F)cc1 ZINC000359189496 446013822 /nfs/dbraw/zinc/01/38/22/446013822.db2.gz ZLGPTTXVBWLSOQ-OAHLLOKOSA-N 2 2 345.378 1.144 20 0 EDADLP C[N@H+](CCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)Cc1ccc(F)cc1 ZINC000359189496 446013828 /nfs/dbraw/zinc/01/38/28/446013828.db2.gz ZLGPTTXVBWLSOQ-OAHLLOKOSA-N 2 2 345.378 1.144 20 0 EDADLP C[N@@H+](CCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)Cc1ccc(F)cc1 ZINC000359189496 446013833 /nfs/dbraw/zinc/01/38/33/446013833.db2.gz ZLGPTTXVBWLSOQ-OAHLLOKOSA-N 2 2 345.378 1.144 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCO1 ZINC000583211657 326028289 /nfs/dbraw/zinc/02/82/89/326028289.db2.gz CQFGUIWEKBLOMQ-CJNGLKHVSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCO1 ZINC000583211657 326028291 /nfs/dbraw/zinc/02/82/91/326028291.db2.gz CQFGUIWEKBLOMQ-CJNGLKHVSA-N 2 2 339.867 1.780 20 0 EDADLP CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000583919543 326165148 /nfs/dbraw/zinc/16/51/48/326165148.db2.gz GEQLQLBOCPBMGD-CYBMUJFWSA-N 2 2 346.435 1.831 20 0 EDADLP CC(C)n1nc(-c2ccco2)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583919543 326165153 /nfs/dbraw/zinc/16/51/53/326165153.db2.gz GEQLQLBOCPBMGD-CYBMUJFWSA-N 2 2 346.435 1.831 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCN2CCN(c3ccc(F)cc3)CC2)n1C ZINC000584064541 326193603 /nfs/dbraw/zinc/19/36/03/326193603.db2.gz GNNZGEJGIGRAEX-UHFFFAOYSA-N 2 2 331.439 1.779 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000584169510 326212570 /nfs/dbraw/zinc/21/25/70/326212570.db2.gz BRPRUZOZCNHLKY-ZMSDIMECSA-N 2 2 341.521 1.218 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000584177728 326215756 /nfs/dbraw/zinc/21/57/56/326215756.db2.gz KXVZNTGJBXNVNS-MRXNPFEDSA-N 2 2 329.847 1.567 20 0 EDADLP Cc1nc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000359237703 446069377 /nfs/dbraw/zinc/06/93/77/446069377.db2.gz WNQVAUMRUWHMBX-CQSZACIVSA-N 2 2 330.436 2.478 20 0 EDADLP C[C@@H]1CSCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000365202943 446076924 /nfs/dbraw/zinc/07/69/24/446076924.db2.gz MJLBZZWJPQRAMQ-GJZGRUSLSA-N 2 2 340.537 1.549 20 0 EDADLP C[C@@H]1CSCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000365202943 446076930 /nfs/dbraw/zinc/07/69/30/446076930.db2.gz MJLBZZWJPQRAMQ-GJZGRUSLSA-N 2 2 340.537 1.549 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]12 ZINC000351489411 446091559 /nfs/dbraw/zinc/09/15/59/446091559.db2.gz HAKSRLIYCKWUIM-YUSALJHKSA-N 2 2 339.342 1.616 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)C[C@@H]12 ZINC000351489411 446091564 /nfs/dbraw/zinc/09/15/64/446091564.db2.gz HAKSRLIYCKWUIM-YUSALJHKSA-N 2 2 339.342 1.616 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351490725 446092743 /nfs/dbraw/zinc/09/27/43/446092743.db2.gz IWTVOFXHOLSNSA-CWRNSKLLSA-N 2 2 330.432 1.044 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351490725 446092750 /nfs/dbraw/zinc/09/27/50/446092750.db2.gz IWTVOFXHOLSNSA-CWRNSKLLSA-N 2 2 330.432 1.044 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000359286715 446122081 /nfs/dbraw/zinc/12/20/81/446122081.db2.gz XPDQKRORCRFYAS-SOUVJXGZSA-N 2 2 330.432 1.491 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000359286715 446122088 /nfs/dbraw/zinc/12/20/88/446122088.db2.gz XPDQKRORCRFYAS-SOUVJXGZSA-N 2 2 330.432 1.491 20 0 EDADLP C[C@H]1CSCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369524328 446128601 /nfs/dbraw/zinc/12/86/01/446128601.db2.gz AJPUKTBKHMJBEO-KBPBESRZSA-N 2 2 326.510 1.302 20 0 EDADLP C[C@H]1CSCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369524328 446128605 /nfs/dbraw/zinc/12/86/05/446128605.db2.gz AJPUKTBKHMJBEO-KBPBESRZSA-N 2 2 326.510 1.302 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000366347848 446167408 /nfs/dbraw/zinc/16/74/08/446167408.db2.gz PIWLWXLIUMTINW-UHFFFAOYSA-N 3 2 347.507 1.168 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000365381981 446179067 /nfs/dbraw/zinc/17/90/67/446179067.db2.gz AZPQQXHIJAUOEQ-GOSISDBHSA-N 2 2 331.460 1.440 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000365381981 446179070 /nfs/dbraw/zinc/17/90/70/446179070.db2.gz AZPQQXHIJAUOEQ-GOSISDBHSA-N 2 2 331.460 1.440 20 0 EDADLP COC(=O)CN1CCC([NH2+]Cc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000373370852 446185728 /nfs/dbraw/zinc/18/57/28/446185728.db2.gz SGTMFACSVSXHEJ-UHFFFAOYSA-N 2 2 342.443 1.814 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000369660913 446142225 /nfs/dbraw/zinc/14/22/25/446142225.db2.gz NAOHELLZPSQORI-INIZCTEOSA-N 2 2 346.475 1.131 20 0 EDADLP Cc1cccc2ncc(C[NH+]3CCC(N4CC[N@@H+](C)CC4=O)CC3)n21 ZINC000373296120 446150078 /nfs/dbraw/zinc/15/00/78/446150078.db2.gz KCQBEWLKHYFICB-UHFFFAOYSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1cccc2ncc(C[NH+]3CCC(N4CC[N@H+](C)CC4=O)CC3)n21 ZINC000373296120 446150081 /nfs/dbraw/zinc/15/00/81/446150081.db2.gz KCQBEWLKHYFICB-UHFFFAOYSA-N 2 2 341.459 1.381 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1cccs1 ZINC000373308428 446157887 /nfs/dbraw/zinc/15/78/87/446157887.db2.gz AFLXTIFIKUPTOZ-HUUCEWRRSA-N 2 2 337.489 1.722 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000365468653 446222389 /nfs/dbraw/zinc/22/23/89/446222389.db2.gz FJYXHNANIQDZKS-JKSUJKDBSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000365468653 446222393 /nfs/dbraw/zinc/22/23/93/446222393.db2.gz FJYXHNANIQDZKS-JKSUJKDBSA-N 2 2 331.464 1.502 20 0 EDADLP CN(C(=O)[C@@H]1CCc2n[nH]cc2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362132997 446228903 /nfs/dbraw/zinc/22/89/03/446228903.db2.gz WUFRLJVGZCQDHZ-PBHICJAKSA-N 2 2 345.491 1.142 20 0 EDADLP CN(C(=O)[C@@H]1CCc2n[nH]cc2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362132997 446228907 /nfs/dbraw/zinc/22/89/07/446228907.db2.gz WUFRLJVGZCQDHZ-PBHICJAKSA-N 2 2 345.491 1.142 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000373474076 446229666 /nfs/dbraw/zinc/22/96/66/446229666.db2.gz KZXIJLNEZLTQRJ-QLFBSQMISA-N 2 2 330.494 1.043 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000373474076 446229667 /nfs/dbraw/zinc/22/96/67/446229667.db2.gz KZXIJLNEZLTQRJ-QLFBSQMISA-N 2 2 330.494 1.043 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@@H](C)O1 ZINC000366492570 446236244 /nfs/dbraw/zinc/23/62/44/446236244.db2.gz IAHAHZALHLDEOL-OAGGEKHMSA-N 2 2 349.479 1.559 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCNS(C)(=O)=O)CC1 ZINC000362153807 446238605 /nfs/dbraw/zinc/23/86/05/446238605.db2.gz GYSZYEMOQDZMAR-QGZVFWFLSA-N 2 2 339.505 1.522 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCNS(C)(=O)=O)CC1 ZINC000362153807 446238610 /nfs/dbraw/zinc/23/86/10/446238610.db2.gz GYSZYEMOQDZMAR-QGZVFWFLSA-N 2 2 339.505 1.522 20 0 EDADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)CC1 ZINC000362153807 446238614 /nfs/dbraw/zinc/23/86/14/446238614.db2.gz GYSZYEMOQDZMAR-QGZVFWFLSA-N 2 2 339.505 1.522 20 0 EDADLP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)CC1 ZINC000362153807 446238618 /nfs/dbraw/zinc/23/86/18/446238618.db2.gz GYSZYEMOQDZMAR-QGZVFWFLSA-N 2 2 339.505 1.522 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCN(C)c1ccccc1 ZINC000370347454 446239834 /nfs/dbraw/zinc/23/98/34/446239834.db2.gz SYJIUTAIGSORKR-AZUAARDMSA-N 2 2 346.519 1.460 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCN(C)c1ccccc1 ZINC000370347454 446239838 /nfs/dbraw/zinc/23/98/38/446239838.db2.gz SYJIUTAIGSORKR-AZUAARDMSA-N 2 2 346.519 1.460 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCN(C)c1ccccc1 ZINC000370347454 446239844 /nfs/dbraw/zinc/23/98/44/446239844.db2.gz SYJIUTAIGSORKR-AZUAARDMSA-N 2 2 346.519 1.460 20 0 EDADLP CC[C@H](C)[C@H](OC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373505412 446241640 /nfs/dbraw/zinc/24/16/40/446241640.db2.gz ZGJDFHUDCRGLJO-XIRDDKMYSA-N 2 2 325.497 1.674 20 0 EDADLP CC[C@H](C)[C@H](OC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373505412 446241643 /nfs/dbraw/zinc/24/16/43/446241643.db2.gz ZGJDFHUDCRGLJO-XIRDDKMYSA-N 2 2 325.497 1.674 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c4ncccc34)C2)CC1 ZINC000370372200 446251472 /nfs/dbraw/zinc/25/14/72/446251472.db2.gz VJLXDCFDYZOJMA-HNNXBMFYSA-N 2 2 341.459 1.390 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3c[nH]c4ncccc34)C2)CC1 ZINC000370372200 446251476 /nfs/dbraw/zinc/25/14/76/446251476.db2.gz VJLXDCFDYZOJMA-HNNXBMFYSA-N 2 2 341.459 1.390 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000373542672 446254105 /nfs/dbraw/zinc/25/41/05/446254105.db2.gz CWOQZOIUFJBTIE-QGZVFWFLSA-N 2 2 337.489 1.823 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000373542672 446254110 /nfs/dbraw/zinc/25/41/10/446254110.db2.gz CWOQZOIUFJBTIE-QGZVFWFLSA-N 2 2 337.489 1.823 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000365580767 446261158 /nfs/dbraw/zinc/26/11/58/446261158.db2.gz KECSFEHYCLISAK-IRXDYDNUSA-N 2 2 326.400 1.465 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000365580767 446261162 /nfs/dbraw/zinc/26/11/62/446261162.db2.gz KECSFEHYCLISAK-IRXDYDNUSA-N 2 2 326.400 1.465 20 0 EDADLP CC[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000359507221 446265618 /nfs/dbraw/zinc/26/56/18/446265618.db2.gz VHGNXDVZNWPVEZ-HUUCEWRRSA-N 2 2 337.468 1.273 20 0 EDADLP CC[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000359507221 446265622 /nfs/dbraw/zinc/26/56/22/446265622.db2.gz VHGNXDVZNWPVEZ-HUUCEWRRSA-N 2 2 337.468 1.273 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000373688376 446303386 /nfs/dbraw/zinc/30/33/86/446303386.db2.gz PTKXUXFVJRMUNZ-UHFFFAOYSA-N 2 2 334.420 1.219 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000373688376 446303392 /nfs/dbraw/zinc/30/33/92/446303392.db2.gz PTKXUXFVJRMUNZ-UHFFFAOYSA-N 2 2 334.420 1.219 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@H]2CCSC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000365753614 446329278 /nfs/dbraw/zinc/32/92/78/446329278.db2.gz NQXDXEWGPMQKLN-GJZGRUSLSA-N 2 2 340.537 1.549 20 0 EDADLP CN(C(=O)C[C@@H](O)CC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365894708 446392473 /nfs/dbraw/zinc/39/24/73/446392473.db2.gz KBUJDNOYSFIPND-IAGOWNOFSA-N 2 2 339.524 1.801 20 0 EDADLP CN(C(=O)C[C@@H](O)CC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365894708 446392476 /nfs/dbraw/zinc/39/24/76/446392476.db2.gz KBUJDNOYSFIPND-IAGOWNOFSA-N 2 2 339.524 1.801 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000418187413 446452339 /nfs/dbraw/zinc/45/23/39/446452339.db2.gz SQJOEVUKMZGRGP-CABCVRRESA-N 2 2 337.468 1.705 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411229524 446432380 /nfs/dbraw/zinc/43/23/80/446432380.db2.gz USRFXOGDMFODNM-ROUUACIJSA-N 2 2 331.435 1.922 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CC[C@@H](N4CC[NH2+]CC4)C3)nc[nH+]2)C1 ZINC000420251988 446433643 /nfs/dbraw/zinc/43/36/43/446433643.db2.gz NDFZLYBDIDCTRN-JKSUJKDBSA-N 2 2 330.480 1.197 20 0 EDADLP CCNc1nc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000420257834 446435924 /nfs/dbraw/zinc/43/59/24/446435924.db2.gz XAILBTONLDYDRQ-KRWDZBQOSA-N 2 2 333.484 1.516 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000420257834 446435929 /nfs/dbraw/zinc/43/59/29/446435929.db2.gz XAILBTONLDYDRQ-KRWDZBQOSA-N 2 2 333.484 1.516 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000420257834 446435932 /nfs/dbraw/zinc/43/59/32/446435932.db2.gz XAILBTONLDYDRQ-KRWDZBQOSA-N 2 2 333.484 1.516 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@@H]1C[NH2+]CCN1C ZINC000420267490 446440409 /nfs/dbraw/zinc/44/04/09/446440409.db2.gz GUWNDPOQXFDGON-ZDUSSCGKSA-N 2 2 328.416 1.149 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1)CCCC2 ZINC000432093367 446450126 /nfs/dbraw/zinc/45/01/26/446450126.db2.gz CZMWUWUAMPHOCE-DZGCQCFKSA-N 2 2 339.505 1.998 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1)CCCC2 ZINC000432093367 446450132 /nfs/dbraw/zinc/45/01/32/446450132.db2.gz CZMWUWUAMPHOCE-DZGCQCFKSA-N 2 2 339.505 1.998 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)n2)c(OC)c1 ZINC000420292751 446456226 /nfs/dbraw/zinc/45/62/26/446456226.db2.gz PXGIOTWSFOPIID-RISCZKNCSA-N 2 2 332.404 1.923 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)n2)c(OC)c1 ZINC000420292751 446456234 /nfs/dbraw/zinc/45/62/34/446456234.db2.gz PXGIOTWSFOPIID-RISCZKNCSA-N 2 2 332.404 1.923 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1 ZINC000420304906 446468182 /nfs/dbraw/zinc/46/81/82/446468182.db2.gz JLCIUZOONVSZDC-MNOVXSKESA-N 2 2 331.399 1.506 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)C1 ZINC000420304906 446468191 /nfs/dbraw/zinc/46/81/91/446468191.db2.gz JLCIUZOONVSZDC-MNOVXSKESA-N 2 2 331.399 1.506 20 0 EDADLP COc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370832346 446468226 /nfs/dbraw/zinc/46/82/26/446468226.db2.gz YHJUQBBCKNFTAT-QGZVFWFLSA-N 2 2 331.460 1.936 20 0 EDADLP COc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000370832346 446468231 /nfs/dbraw/zinc/46/82/31/446468231.db2.gz YHJUQBBCKNFTAT-QGZVFWFLSA-N 2 2 331.460 1.936 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c(C)[nH+]1 ZINC000411294865 446473192 /nfs/dbraw/zinc/47/31/92/446473192.db2.gz DERMLTILBNBYDR-DOMZBBRYSA-N 2 2 332.448 1.790 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(C)[nH+]1 ZINC000411294865 446473200 /nfs/dbraw/zinc/47/32/00/446473200.db2.gz DERMLTILBNBYDR-DOMZBBRYSA-N 2 2 332.448 1.790 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)[NH+]1CCOCC1 ZINC000423333322 446491550 /nfs/dbraw/zinc/49/15/50/446491550.db2.gz VVRMAECVERDYJN-HUUCEWRRSA-N 2 2 340.493 1.396 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCCCCO)C2)CC1 ZINC000374999351 446504331 /nfs/dbraw/zinc/50/43/31/446504331.db2.gz PTQZOHYXGAIZCC-OAHLLOKOSA-N 2 2 326.485 1.007 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCCCCO)C2)CC1 ZINC000374999351 446504332 /nfs/dbraw/zinc/50/43/32/446504332.db2.gz PTQZOHYXGAIZCC-OAHLLOKOSA-N 2 2 326.485 1.007 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000420339423 446509521 /nfs/dbraw/zinc/50/95/21/446509521.db2.gz YVDQGNDYNDTQSC-LBPRGKRZSA-N 2 2 339.386 1.591 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000420339423 446509527 /nfs/dbraw/zinc/50/95/27/446509527.db2.gz YVDQGNDYNDTQSC-LBPRGKRZSA-N 2 2 339.386 1.591 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000423391953 446515094 /nfs/dbraw/zinc/51/50/94/446515094.db2.gz PXRWZHRQYMNWNG-GDBMZVCRSA-N 2 2 337.489 1.707 20 0 EDADLP COCCCn1nccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374993206 446500017 /nfs/dbraw/zinc/50/00/17/446500017.db2.gz CQTNWGLXVPAVQD-MJGOQNOKSA-N 2 2 349.523 1.377 20 0 EDADLP COCCCn1nccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374993206 446500023 /nfs/dbraw/zinc/50/00/23/446500023.db2.gz CQTNWGLXVPAVQD-MJGOQNOKSA-N 2 2 349.523 1.377 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000418486573 446562200 /nfs/dbraw/zinc/56/22/00/446562200.db2.gz IKFUGKCETOLLOL-GJZGRUSLSA-N 2 2 334.464 1.568 20 0 EDADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420388051 446562801 /nfs/dbraw/zinc/56/28/01/446562801.db2.gz KSOMFGICHNCSQO-DAYGRLMNSA-N 2 2 333.476 1.864 20 0 EDADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420388051 446562805 /nfs/dbraw/zinc/56/28/05/446562805.db2.gz KSOMFGICHNCSQO-DAYGRLMNSA-N 2 2 333.476 1.864 20 0 EDADLP CC(C)c1nc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)nc(N(C)C)[nH+]1 ZINC000367215872 446524019 /nfs/dbraw/zinc/52/40/19/446524019.db2.gz OHXGJILFOLJLGG-CABCVRRESA-N 2 2 348.495 1.974 20 0 EDADLP C([NH+]1CCC[C@H]2COC[C@H]21)C1(C[N@@H+]2CCC[C@H]3COC[C@H]32)COC1 ZINC000367236509 446527230 /nfs/dbraw/zinc/52/72/30/446527230.db2.gz GAAPFRPUHIYXOX-WNRNVDISSA-N 2 2 336.476 1.225 20 0 EDADLP C([NH+]1CCC[C@H]2COC[C@H]21)C1(C[N@H+]2CCC[C@H]3COC[C@H]32)COC1 ZINC000367236509 446527233 /nfs/dbraw/zinc/52/72/33/446527233.db2.gz GAAPFRPUHIYXOX-WNRNVDISSA-N 2 2 336.476 1.225 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352141 446532196 /nfs/dbraw/zinc/53/21/96/446532196.db2.gz YQJNLTSXUKPCGR-KBPBESRZSA-N 2 2 336.867 1.647 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352141 446532200 /nfs/dbraw/zinc/53/22/00/446532200.db2.gz YQJNLTSXUKPCGR-KBPBESRZSA-N 2 2 336.867 1.647 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418420757 446538583 /nfs/dbraw/zinc/53/85/83/446538583.db2.gz ZQCPUMMDLQANPD-SOLBZPMBSA-N 2 2 345.491 1.987 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000423443845 446540395 /nfs/dbraw/zinc/54/03/95/446540395.db2.gz XMNCKUHNMAQGFJ-ZACQAIPSSA-N 2 2 345.491 1.096 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453108494 446545412 /nfs/dbraw/zinc/54/54/12/446545412.db2.gz KZDLRZBOLBYJEX-WMZOPIPTSA-N 2 2 347.438 1.860 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453108494 446545418 /nfs/dbraw/zinc/54/54/18/446545418.db2.gz KZDLRZBOLBYJEX-WMZOPIPTSA-N 2 2 347.438 1.860 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453108494 446545425 /nfs/dbraw/zinc/54/54/25/446545425.db2.gz KZDLRZBOLBYJEX-WMZOPIPTSA-N 2 2 347.438 1.860 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453108494 446545433 /nfs/dbraw/zinc/54/54/33/446545433.db2.gz KZDLRZBOLBYJEX-WMZOPIPTSA-N 2 2 347.438 1.860 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453108494 446545436 /nfs/dbraw/zinc/54/54/36/446545436.db2.gz KZDLRZBOLBYJEX-WMZOPIPTSA-N 2 2 347.438 1.860 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453108494 446545444 /nfs/dbraw/zinc/54/54/44/446545444.db2.gz KZDLRZBOLBYJEX-WMZOPIPTSA-N 2 2 347.438 1.860 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1C ZINC000420366719 446545583 /nfs/dbraw/zinc/54/55/83/446545583.db2.gz MDVSOQLMCCBUKY-HACGYAERSA-N 2 2 332.448 1.928 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420370830 446548020 /nfs/dbraw/zinc/54/80/20/446548020.db2.gz PDYJQTLNGINWIP-WZFJYNIESA-N 2 2 349.475 1.857 20 0 EDADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420373332 446551192 /nfs/dbraw/zinc/55/11/92/446551192.db2.gz GFHLGQVFRXUFTP-HZSPNIEDSA-N 2 2 330.432 1.277 20 0 EDADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420373332 446551196 /nfs/dbraw/zinc/55/11/96/446551196.db2.gz GFHLGQVFRXUFTP-HZSPNIEDSA-N 2 2 330.432 1.277 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)c2ccccc21 ZINC000423498157 446554655 /nfs/dbraw/zinc/55/46/55/446554655.db2.gz BLVFFPSANULKSS-BMGDILEWSA-N 2 2 331.460 1.661 20 0 EDADLP CNC(=O)c1ccc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1 ZINC000433990052 446614163 /nfs/dbraw/zinc/61/41/63/446614163.db2.gz KATIDSADQYCSCM-RDJZCZTQSA-N 2 2 328.416 1.790 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418612024 446616510 /nfs/dbraw/zinc/61/65/10/446616510.db2.gz DXABZZCKCYDSJX-SJORKVTESA-N 2 2 338.496 1.256 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418612024 446616516 /nfs/dbraw/zinc/61/65/16/446616516.db2.gz DXABZZCKCYDSJX-SJORKVTESA-N 2 2 338.496 1.256 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000420393997 446568934 /nfs/dbraw/zinc/56/89/34/446568934.db2.gz CGXKMILCQDSURZ-JKSUJKDBSA-N 2 2 347.459 1.499 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000420393997 446568938 /nfs/dbraw/zinc/56/89/38/446568938.db2.gz CGXKMILCQDSURZ-JKSUJKDBSA-N 2 2 347.459 1.499 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420396247 446570100 /nfs/dbraw/zinc/57/01/00/446570100.db2.gz VCUADMQMXCFRHL-QGZVFWFLSA-N 2 2 335.448 1.140 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420396247 446570108 /nfs/dbraw/zinc/57/01/08/446570108.db2.gz VCUADMQMXCFRHL-QGZVFWFLSA-N 2 2 335.448 1.140 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2n1CCCC2 ZINC000371017078 446575801 /nfs/dbraw/zinc/57/58/01/446575801.db2.gz QLONHWRAJIGPSN-UHFFFAOYSA-N 2 2 333.480 1.317 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2n1CCCC2 ZINC000371017078 446575806 /nfs/dbraw/zinc/57/58/06/446575806.db2.gz QLONHWRAJIGPSN-UHFFFAOYSA-N 2 2 333.480 1.317 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000420411058 446584291 /nfs/dbraw/zinc/58/42/91/446584291.db2.gz RQFCHADAJLSNFM-RDBSUJKOSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(OC)c1 ZINC000420411058 446584293 /nfs/dbraw/zinc/58/42/93/446584293.db2.gz RQFCHADAJLSNFM-RDBSUJKOSA-N 2 2 335.448 1.948 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418620686 446619292 /nfs/dbraw/zinc/61/92/92/446619292.db2.gz QWKPWVVKRNNVCS-UONOGXRCSA-N 2 2 333.436 1.192 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000371062909 446606478 /nfs/dbraw/zinc/60/64/78/446606478.db2.gz DZWKSQTZYUNWEO-SJORKVTESA-N 2 2 334.439 1.918 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CC1 ZINC000371062909 446606486 /nfs/dbraw/zinc/60/64/86/446606486.db2.gz DZWKSQTZYUNWEO-SJORKVTESA-N 2 2 334.439 1.918 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423640759 446622206 /nfs/dbraw/zinc/62/22/06/446622206.db2.gz GGDHZFBUQULHAU-ROUUACIJSA-N 2 2 335.492 1.335 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423640759 446622212 /nfs/dbraw/zinc/62/22/12/446622212.db2.gz GGDHZFBUQULHAU-ROUUACIJSA-N 2 2 335.492 1.335 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375258919 446675753 /nfs/dbraw/zinc/67/57/53/446675753.db2.gz AEGJYKNJLZLZDN-APWZRJJASA-N 2 2 329.444 1.765 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418649766 446632627 /nfs/dbraw/zinc/63/26/27/446632627.db2.gz JPGZBVPRHCGDDN-JZXOWHBKSA-N 2 2 346.475 1.411 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418649766 446632636 /nfs/dbraw/zinc/63/26/36/446632636.db2.gz JPGZBVPRHCGDDN-JZXOWHBKSA-N 2 2 346.475 1.411 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)cn1 ZINC000423759399 446689674 /nfs/dbraw/zinc/68/96/74/446689674.db2.gz OYNFCPDOIOJKEV-MRXNPFEDSA-N 2 2 335.496 1.701 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)cn1 ZINC000423759399 446689677 /nfs/dbraw/zinc/68/96/77/446689677.db2.gz OYNFCPDOIOJKEV-MRXNPFEDSA-N 2 2 335.496 1.701 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000435346424 446692653 /nfs/dbraw/zinc/69/26/53/446692653.db2.gz RRUIRWRNRXNHQF-OVWQWFNUSA-N 2 2 347.507 2.478 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC2(C[NH3+])CC2)[NH+]2CCOCC2)s1 ZINC000423764916 446692912 /nfs/dbraw/zinc/69/29/12/446692912.db2.gz WHHSRYRMZRFLGA-CQSZACIVSA-N 2 2 337.489 1.675 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2[C@H](c3ccccc3)[N@@H+](C)C[C@@H]2C1 ZINC000368203110 446706045 /nfs/dbraw/zinc/70/60/45/446706045.db2.gz KECZSFAXIGREJB-NJAFHUGGSA-N 2 2 339.443 1.864 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2[C@H](c3ccccc3)[N@H+](C)C[C@@H]2C1 ZINC000368203110 446706050 /nfs/dbraw/zinc/70/60/50/446706050.db2.gz KECZSFAXIGREJB-NJAFHUGGSA-N 2 2 339.443 1.864 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000375303787 446706424 /nfs/dbraw/zinc/70/64/24/446706424.db2.gz SEEQPODFPHDSSD-KRWDZBQOSA-N 2 2 331.508 1.986 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000375303787 446706428 /nfs/dbraw/zinc/70/64/28/446706428.db2.gz SEEQPODFPHDSSD-KRWDZBQOSA-N 2 2 331.508 1.986 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423836458 446724198 /nfs/dbraw/zinc/72/41/98/446724198.db2.gz WKRHIYBWISQZDA-JUDXGUMMSA-N 2 2 341.814 1.063 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423836458 446724206 /nfs/dbraw/zinc/72/42/06/446724206.db2.gz WKRHIYBWISQZDA-JUDXGUMMSA-N 2 2 341.814 1.063 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCN(c2cccc[nH+]2)CC1 ZINC000418762037 446681304 /nfs/dbraw/zinc/68/13/04/446681304.db2.gz MCHAIAHMRJRMBA-ZDUSSCGKSA-N 2 2 339.390 1.158 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418764075 446682812 /nfs/dbraw/zinc/68/28/12/446682812.db2.gz NRRKVQSDJNNHFA-OCCSQVGLSA-N 2 2 332.439 1.603 20 0 EDADLP COC(=O)c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)n(C)c1C ZINC000368265085 446746904 /nfs/dbraw/zinc/74/69/04/446746904.db2.gz QMZWKMKRPWFAAO-UHFFFAOYSA-N 2 2 339.399 1.991 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000371314150 446766918 /nfs/dbraw/zinc/76/69/18/446766918.db2.gz QLQXIPNQPVRIIR-WBVHZDCISA-N 2 2 332.448 1.885 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)C[NH+]1CCCCC1 ZINC000368304683 446771262 /nfs/dbraw/zinc/77/12/62/446771262.db2.gz PCRBNNFFPTYEAJ-WBVHZDCISA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)C[NH+]1CCCCC1 ZINC000368304683 446771269 /nfs/dbraw/zinc/77/12/69/446771269.db2.gz PCRBNNFFPTYEAJ-WBVHZDCISA-N 2 2 338.496 1.271 20 0 EDADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c(F)cn1 ZINC000376904175 446787559 /nfs/dbraw/zinc/78/75/59/446787559.db2.gz QKAKLGCNRYRIMI-OMXAPOSASA-N 2 2 347.394 1.633 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000375424536 446789393 /nfs/dbraw/zinc/78/93/93/446789393.db2.gz DWPHROLRULTYOQ-QLFBSQMISA-N 3 2 333.480 1.357 20 0 EDADLP CCC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccn1 ZINC000371348144 446795872 /nfs/dbraw/zinc/79/58/72/446795872.db2.gz SPBPAVREGIRJMP-PKOBYXMFSA-N 2 2 332.492 1.919 20 0 EDADLP [NH3+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C2CC3CC(C2)CC1C3 ZINC000623179674 450436518 /nfs/dbraw/zinc/43/65/18/450436518.db2.gz XTCVTGCJGCJALG-WFBUYENLSA-N 2 2 328.460 1.715 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000424007772 446820673 /nfs/dbraw/zinc/82/06/73/446820673.db2.gz XYBBZQQMJRYGLS-VQHPVUNQSA-N 2 2 343.475 1.430 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000424007772 446820682 /nfs/dbraw/zinc/82/06/82/446820682.db2.gz XYBBZQQMJRYGLS-VQHPVUNQSA-N 2 2 343.475 1.430 20 0 EDADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000376967967 446829569 /nfs/dbraw/zinc/82/95/69/446829569.db2.gz OASQAVDYCOHMQT-RDTXWAMCSA-N 2 2 326.400 1.900 20 0 EDADLP CC(C)CN(C1CC[NH+](C)CC1)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000377005772 446856029 /nfs/dbraw/zinc/85/60/29/446856029.db2.gz NFPHQHZUHKTQMG-IEBWSBKVSA-N 2 2 338.540 1.749 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000375509314 446860886 /nfs/dbraw/zinc/86/08/86/446860886.db2.gz PWCHJMRDGVIHPT-YYIAUSFCSA-N 2 2 330.476 1.953 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000375509314 446860888 /nfs/dbraw/zinc/86/08/88/446860888.db2.gz PWCHJMRDGVIHPT-YYIAUSFCSA-N 2 2 330.476 1.953 20 0 EDADLP CNC(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420900146 446876991 /nfs/dbraw/zinc/87/69/91/446876991.db2.gz IPTBGSDJUNUXHF-UHFFFAOYSA-N 2 2 331.460 1.477 20 0 EDADLP CS(=O)(=O)N1CC[N@H+](CCCn2cc[nH+]c2)Cc2ccccc21 ZINC000371471980 446878124 /nfs/dbraw/zinc/87/81/24/446878124.db2.gz BLBCNOZTTZGTJU-UHFFFAOYSA-N 2 2 334.445 1.555 20 0 EDADLP CS(=O)(=O)N1CC[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc21 ZINC000371471980 446878132 /nfs/dbraw/zinc/87/81/32/446878132.db2.gz BLBCNOZTTZGTJU-UHFFFAOYSA-N 2 2 334.445 1.555 20 0 EDADLP O[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000420903330 446881425 /nfs/dbraw/zinc/88/14/25/446881425.db2.gz OCWFWULZRKDQGC-QRVBRYPASA-N 2 2 344.503 1.687 20 0 EDADLP O[C@H]1C[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000420903330 446881432 /nfs/dbraw/zinc/88/14/32/446881432.db2.gz OCWFWULZRKDQGC-QRVBRYPASA-N 2 2 344.503 1.687 20 0 EDADLP O=C1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@@H]2N1 ZINC000420937090 446909181 /nfs/dbraw/zinc/90/91/81/446909181.db2.gz NFHJKMFEXPIZMK-OALUTQOASA-N 2 2 343.471 1.762 20 0 EDADLP O=C1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@@H]2N1 ZINC000420937090 446909191 /nfs/dbraw/zinc/90/91/91/446909191.db2.gz NFHJKMFEXPIZMK-OALUTQOASA-N 2 2 343.471 1.762 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)C[C@@H](CO)C3)c2cc1C ZINC000420953850 446926187 /nfs/dbraw/zinc/92/61/87/446926187.db2.gz YWVXRLDOSMEQQM-KBRIMQKVSA-N 2 2 331.460 1.964 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)C[C@@H](CO)C3)c2cc1C ZINC000420953850 446926194 /nfs/dbraw/zinc/92/61/94/446926194.db2.gz YWVXRLDOSMEQQM-KBRIMQKVSA-N 2 2 331.460 1.964 20 0 EDADLP C[C@@H]1CN(Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000420960884 446932029 /nfs/dbraw/zinc/93/20/29/446932029.db2.gz HPUTXRTZKWXGCS-MSOLQXFVSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1CN(Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C[N@H+]1CCO ZINC000420960884 446932035 /nfs/dbraw/zinc/93/20/35/446932035.db2.gz HPUTXRTZKWXGCS-MSOLQXFVSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)CN1CCO ZINC000420960884 446932039 /nfs/dbraw/zinc/93/20/39/446932039.db2.gz HPUTXRTZKWXGCS-MSOLQXFVSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)CN1CCO ZINC000420960884 446932047 /nfs/dbraw/zinc/93/20/47/446932047.db2.gz HPUTXRTZKWXGCS-MSOLQXFVSA-N 2 2 347.503 1.406 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000375624659 446933024 /nfs/dbraw/zinc/93/30/24/446933024.db2.gz BEQZWUWSFFZLOZ-UHFFFAOYSA-N 2 2 342.447 1.895 20 0 EDADLP c1cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCOCC1 ZINC000420963799 446934163 /nfs/dbraw/zinc/93/41/63/446934163.db2.gz MXQZSHYHNBRKLT-UXHICEINSA-N 2 2 346.471 1.899 20 0 EDADLP c1cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCOCC1 ZINC000420963799 446934168 /nfs/dbraw/zinc/93/41/68/446934168.db2.gz MXQZSHYHNBRKLT-UXHICEINSA-N 2 2 346.471 1.899 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C(=O)C1 ZINC000371645840 446942424 /nfs/dbraw/zinc/94/24/24/446942424.db2.gz KNUJJUDKFORHLY-QGZVFWFLSA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C(=O)C1 ZINC000371645840 446942428 /nfs/dbraw/zinc/94/24/28/446942428.db2.gz KNUJJUDKFORHLY-QGZVFWFLSA-N 2 2 335.423 1.098 20 0 EDADLP O=C(C1CC1)N1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420983514 446960675 /nfs/dbraw/zinc/96/06/75/446960675.db2.gz CEKPELTWXACITF-UHFFFAOYSA-N 2 2 329.444 1.531 20 0 EDADLP O=C(C1CC1)N1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420983514 446960684 /nfs/dbraw/zinc/96/06/84/446960684.db2.gz CEKPELTWXACITF-UHFFFAOYSA-N 2 2 329.444 1.531 20 0 EDADLP C[N@H+](CC(=O)NC(=O)NCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442778193 446965385 /nfs/dbraw/zinc/96/53/85/446965385.db2.gz GZPILJKDPQFICC-XYPWUTKMSA-N 2 2 330.432 1.227 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442778193 446965393 /nfs/dbraw/zinc/96/53/93/446965393.db2.gz GZPILJKDPQFICC-XYPWUTKMSA-N 2 2 330.432 1.227 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)CC1 ZINC000377196533 446985623 /nfs/dbraw/zinc/98/56/23/446985623.db2.gz JIRLUNCZXANDPZ-ONIAQPFYSA-N 3 2 334.508 1.192 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)CC1 ZINC000377196533 446985626 /nfs/dbraw/zinc/98/56/26/446985626.db2.gz JIRLUNCZXANDPZ-ONIAQPFYSA-N 3 2 334.508 1.192 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000421018008 446990816 /nfs/dbraw/zinc/99/08/16/446990816.db2.gz WBJFLNRMJAOVEH-QGZVFWFLSA-N 2 2 338.540 1.639 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000421018008 446990820 /nfs/dbraw/zinc/99/08/20/446990820.db2.gz WBJFLNRMJAOVEH-QGZVFWFLSA-N 2 2 338.540 1.639 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000421018008 446990826 /nfs/dbraw/zinc/99/08/26/446990826.db2.gz WBJFLNRMJAOVEH-QGZVFWFLSA-N 2 2 338.540 1.639 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000421018008 446990832 /nfs/dbraw/zinc/99/08/32/446990832.db2.gz WBJFLNRMJAOVEH-QGZVFWFLSA-N 2 2 338.540 1.639 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3cnn(C)c3)CC2)CC1 ZINC000375771438 447036846 /nfs/dbraw/zinc/03/68/46/447036846.db2.gz KORMIRFESIAKTN-HNNXBMFYSA-N 2 2 333.480 1.152 20 0 EDADLP Cn1c[nH+]c(CC[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000419284160 447057561 /nfs/dbraw/zinc/05/75/61/447057561.db2.gz KJIVSSGKEQJPHM-ZDUSSCGKSA-N 2 2 337.221 1.541 20 0 EDADLP Cc1ccc(O)c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000377258625 447024331 /nfs/dbraw/zinc/02/43/31/447024331.db2.gz SUDLKXKOLMQHPD-HNNXBMFYSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1ccc(O)c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000377258625 447024337 /nfs/dbraw/zinc/02/43/37/447024337.db2.gz SUDLKXKOLMQHPD-HNNXBMFYSA-N 2 2 331.460 1.941 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000455302333 447107287 /nfs/dbraw/zinc/10/72/87/447107287.db2.gz WIYPNJBISLPTMV-UHFFFAOYSA-N 2 2 344.419 1.338 20 0 EDADLP Cc1ccc(N2CCC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)CC2)nn1 ZINC000425334540 447121406 /nfs/dbraw/zinc/12/14/06/447121406.db2.gz HFSAPJNFVBXWRG-UHFFFAOYSA-N 2 2 329.452 1.297 20 0 EDADLP Cc1ccc(N2CCC[N@H+](Cc3c[nH+]c(N(C)C)n3C)CC2)nn1 ZINC000425334540 447121410 /nfs/dbraw/zinc/12/14/10/447121410.db2.gz HFSAPJNFVBXWRG-UHFFFAOYSA-N 2 2 329.452 1.297 20 0 EDADLP CC(C)N1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000375822545 447080387 /nfs/dbraw/zinc/08/03/87/447080387.db2.gz HDODVLNGVCUDPM-CGTJXYLNSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000375822545 447080395 /nfs/dbraw/zinc/08/03/95/447080395.db2.gz HDODVLNGVCUDPM-CGTJXYLNSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)C1=O ZINC000375822545 447080396 /nfs/dbraw/zinc/08/03/96/447080396.db2.gz HDODVLNGVCUDPM-CGTJXYLNSA-N 2 2 347.507 1.744 20 0 EDADLP Cn1ncc2c1nc(N1C[C@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C1)[nH+]c2N ZINC000368912842 447199438 /nfs/dbraw/zinc/19/94/38/447199438.db2.gz FBMMRVDZGBFJRW-FVQBIDKESA-N 2 2 349.442 1.685 20 0 EDADLP Cn1ncc2c1nc(N1C[C@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C1)[nH+]c2N ZINC000368912842 447199446 /nfs/dbraw/zinc/19/94/46/447199446.db2.gz FBMMRVDZGBFJRW-FVQBIDKESA-N 2 2 349.442 1.685 20 0 EDADLP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000446071623 447229411 /nfs/dbraw/zinc/22/94/11/447229411.db2.gz NDDQWBCFZMXZAA-UCIFAOBLSA-N 2 2 328.497 1.998 20 0 EDADLP C[C@@H]1C[N@@H+](CCOCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000446071623 447229414 /nfs/dbraw/zinc/22/94/14/447229414.db2.gz NDDQWBCFZMXZAA-UCIFAOBLSA-N 2 2 328.497 1.998 20 0 EDADLP C[C@@H]1C[N@H+](CCOCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](C)O1 ZINC000446071623 447229419 /nfs/dbraw/zinc/22/94/19/447229419.db2.gz NDDQWBCFZMXZAA-UCIFAOBLSA-N 2 2 328.497 1.998 20 0 EDADLP c1cn(-c2ccccc2CNc2cc[nH+]c(N3CCOCC3)n2)c[nH+]1 ZINC000372697099 447231014 /nfs/dbraw/zinc/23/10/14/447231014.db2.gz RUUJIWZOVHYCAY-UHFFFAOYSA-N 2 2 336.399 2.111 20 0 EDADLP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)nn1C ZINC000414304493 447289367 /nfs/dbraw/zinc/28/93/67/447289367.db2.gz MNDLJHKCHBFDMV-UHFFFAOYSA-N 2 2 344.459 1.729 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](CO)[C@H]3CCCO3)c2cc1C ZINC000447913527 447295328 /nfs/dbraw/zinc/29/53/28/447295328.db2.gz MLPCQTSUUAZERH-QGPMSJSTSA-N 2 2 333.432 1.144 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000369032013 447278651 /nfs/dbraw/zinc/27/86/51/447278651.db2.gz CWAJRVPMHXIANK-SJORKVTESA-N 2 2 336.480 1.337 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000369032013 447278657 /nfs/dbraw/zinc/27/86/57/447278657.db2.gz CWAJRVPMHXIANK-SJORKVTESA-N 2 2 336.480 1.337 20 0 EDADLP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372778287 447282820 /nfs/dbraw/zinc/28/28/20/447282820.db2.gz BOEFFMLXEJWSGC-UXHICEINSA-N 2 2 347.503 1.240 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415527758 447497044 /nfs/dbraw/zinc/49/70/44/447497044.db2.gz RPXHDORTXPRPQH-OLZOCXBDSA-N 2 2 327.388 1.007 20 0 EDADLP COc1ccc(-c2noc(NCC[NH+]3CCC([NH+](C)C)CC3)n2)cc1 ZINC000450369895 447471837 /nfs/dbraw/zinc/47/18/37/447471837.db2.gz SYUYZRMVCKSMMW-UHFFFAOYSA-N 2 2 345.447 2.183 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401847189 447580850 /nfs/dbraw/zinc/58/08/50/447580850.db2.gz ADJORTUDUUDTAA-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401847189 447580853 /nfs/dbraw/zinc/58/08/53/447580853.db2.gz ADJORTUDUUDTAA-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC(C)(C)C[NH+](C)C)CC2 ZINC000457200784 447539701 /nfs/dbraw/zinc/53/97/01/447539701.db2.gz FIFSDPOIZPNGOP-UHFFFAOYSA-N 2 2 349.475 1.518 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC(C)(C)C[NH+](C)C)CC2 ZINC000457200784 447539711 /nfs/dbraw/zinc/53/97/11/447539711.db2.gz FIFSDPOIZPNGOP-UHFFFAOYSA-N 2 2 349.475 1.518 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000459041324 447550416 /nfs/dbraw/zinc/55/04/16/447550416.db2.gz AYCASJPYVCWMIU-LSDHHAIUSA-N 2 2 337.468 1.716 20 0 EDADLP C[C@@H](CNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1)[NH+](C)C ZINC000459057185 447556419 /nfs/dbraw/zinc/55/64/19/447556419.db2.gz KQGDPTNQWOUGLF-HNNXBMFYSA-N 2 2 338.452 1.074 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416316025 447571140 /nfs/dbraw/zinc/57/11/40/447571140.db2.gz VOADURUKSLESIW-UONOGXRCSA-N 2 2 330.432 1.258 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416316025 447571141 /nfs/dbraw/zinc/57/11/41/447571141.db2.gz VOADURUKSLESIW-UONOGXRCSA-N 2 2 330.432 1.258 20 0 EDADLP CN(CC(=O)N1CC[NH2+]CC1)c1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000420154388 447641800 /nfs/dbraw/zinc/64/18/00/447641800.db2.gz SADGDAJCBHWYOI-UHFFFAOYSA-N 2 2 347.507 1.940 20 0 EDADLP C[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)S(C)(=O)=O ZINC000450875435 447602078 /nfs/dbraw/zinc/60/20/78/447602078.db2.gz HNQUPLDDAVJSIV-ZDUSSCGKSA-N 2 2 325.478 1.832 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000422535721 447623277 /nfs/dbraw/zinc/62/32/77/447623277.db2.gz CDNRIDURSXAFOI-GJZGRUSLSA-N 2 2 347.463 1.167 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000422535721 447623283 /nfs/dbraw/zinc/62/32/83/447623283.db2.gz CDNRIDURSXAFOI-GJZGRUSLSA-N 2 2 347.463 1.167 20 0 EDADLP COCC[NH2+]CCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000416869019 447699383 /nfs/dbraw/zinc/69/93/83/447699383.db2.gz KECZLHXOQZDEIR-UHFFFAOYSA-N 2 2 333.436 1.270 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1cccc(F)c1 ZINC000416907582 447705093 /nfs/dbraw/zinc/70/50/93/447705093.db2.gz JAAXAMMTDPXXIN-HUUCEWRRSA-N 2 2 331.395 1.685 20 0 EDADLP C[C@@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000459399081 447653437 /nfs/dbraw/zinc/65/34/37/447653437.db2.gz BCTSYPPXRWANDF-OLZOCXBDSA-N 2 2 327.388 1.463 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)cn2c1 ZINC000457926586 447674046 /nfs/dbraw/zinc/67/40/46/447674046.db2.gz LWURTEVHICQJOB-GASCZTMLSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)cn2c1 ZINC000457926586 447674053 /nfs/dbraw/zinc/67/40/53/447674053.db2.gz LWURTEVHICQJOB-GASCZTMLSA-N 2 2 345.447 1.239 20 0 EDADLP C[NH2+]C[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000416934991 447714849 /nfs/dbraw/zinc/71/48/49/447714849.db2.gz FPCMNLXOZBKLPF-MRXNPFEDSA-N 2 2 331.464 1.823 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000422734423 447733264 /nfs/dbraw/zinc/73/32/64/447733264.db2.gz SZNRINSXYYIKEV-OKZBNKHCSA-N 2 2 333.476 1.735 20 0 EDADLP CN(C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C(=O)OC(C)(C)C ZINC000496315788 447755482 /nfs/dbraw/zinc/75/54/82/447755482.db2.gz VXWVJLTXBVAGEY-HZPDHXFCSA-N 2 2 341.496 1.821 20 0 EDADLP CN(C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C(=O)OC(C)(C)C ZINC000496315788 447755483 /nfs/dbraw/zinc/75/54/83/447755483.db2.gz VXWVJLTXBVAGEY-HZPDHXFCSA-N 2 2 341.496 1.821 20 0 EDADLP [NH3+]CC1CCC([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000422847313 447768301 /nfs/dbraw/zinc/76/83/01/447768301.db2.gz RCUSYFZQTAYGQL-UHFFFAOYSA-N 4 2 331.508 1.701 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc[nH+]1 ZINC000422851247 447769490 /nfs/dbraw/zinc/76/94/90/447769490.db2.gz WQVKDGIMHCACCY-JWTNVVGKSA-N 4 2 329.492 1.466 20 0 EDADLP COc1ccc([C@H]([NH2+]CCNc2cnccn2)[C@H]2CCC[NH2+]2)cc1 ZINC000422889699 447770505 /nfs/dbraw/zinc/77/05/05/447770505.db2.gz QFPHYKODRKOMTR-AEFFLSMTSA-N 2 2 327.432 1.980 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430564154 447779818 /nfs/dbraw/zinc/77/98/18/447779818.db2.gz AUFUUEZFZIFEPM-KRWDZBQOSA-N 3 2 347.507 1.426 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430564154 447779821 /nfs/dbraw/zinc/77/98/21/447779821.db2.gz AUFUUEZFZIFEPM-KRWDZBQOSA-N 3 2 347.507 1.426 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423113546 447808065 /nfs/dbraw/zinc/80/80/65/447808065.db2.gz YLWVSJSSOIYFHU-WCQYABFASA-N 2 2 333.354 1.879 20 0 EDADLP CCC(CC)[C@@H](CNc1nc(C)[nH+]c(N(C)C)n1)[NH+]1CCOCC1 ZINC000488410508 447846895 /nfs/dbraw/zinc/84/68/95/447846895.db2.gz IKKNZSDAHJJUTE-OAHLLOKOSA-N 2 2 336.484 1.795 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)[nH+]c1 ZINC000488651362 447849469 /nfs/dbraw/zinc/84/94/69/447849469.db2.gz XJTSILIWUXKIFB-CQSZACIVSA-N 2 2 328.420 1.703 20 0 EDADLP Cc1nc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC000487251228 447828482 /nfs/dbraw/zinc/82/84/82/447828482.db2.gz GAEMXRVYMOMABD-BMFZPTHFSA-N 2 2 349.479 1.389 20 0 EDADLP Cc1nc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)no1 ZINC000487251228 447828483 /nfs/dbraw/zinc/82/84/83/447828483.db2.gz GAEMXRVYMOMABD-BMFZPTHFSA-N 2 2 349.479 1.389 20 0 EDADLP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)no1 ZINC000487251228 447828484 /nfs/dbraw/zinc/82/84/84/447828484.db2.gz GAEMXRVYMOMABD-BMFZPTHFSA-N 2 2 349.479 1.389 20 0 EDADLP Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)no1 ZINC000487251228 447828485 /nfs/dbraw/zinc/82/84/85/447828485.db2.gz GAEMXRVYMOMABD-BMFZPTHFSA-N 2 2 349.479 1.389 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000569687355 447867550 /nfs/dbraw/zinc/86/75/50/447867550.db2.gz QZYVTLPEVANLJH-JKSUJKDBSA-N 2 2 345.443 1.485 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000569687355 447867553 /nfs/dbraw/zinc/86/75/53/447867553.db2.gz QZYVTLPEVANLJH-JKSUJKDBSA-N 2 2 345.443 1.485 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCC3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000575672456 447878660 /nfs/dbraw/zinc/87/86/60/447878660.db2.gz NBJKQLIMHIBZED-GOEBONIOSA-N 2 2 345.491 1.970 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCC3CC[NH+](C4CC4)CC3)[nH+]cn2)C1 ZINC000575672456 447878666 /nfs/dbraw/zinc/87/86/66/447878666.db2.gz NBJKQLIMHIBZED-GOEBONIOSA-N 2 2 345.491 1.970 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000497135602 447881485 /nfs/dbraw/zinc/88/14/85/447881485.db2.gz VMVLDBFVXZUPPJ-NFAWXSAZSA-N 2 2 327.469 1.429 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000497135602 447881490 /nfs/dbraw/zinc/88/14/90/447881490.db2.gz VMVLDBFVXZUPPJ-NFAWXSAZSA-N 2 2 327.469 1.429 20 0 EDADLP CC(C)[C@H]1C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCCO1 ZINC000496769900 447897311 /nfs/dbraw/zinc/89/73/11/447897311.db2.gz WQDSREUVXKPINQ-SJLPKXTDSA-N 2 2 337.464 1.607 20 0 EDADLP CC(C)[C@H]1C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCCO1 ZINC000496769900 447897317 /nfs/dbraw/zinc/89/73/17/447897317.db2.gz WQDSREUVXKPINQ-SJLPKXTDSA-N 2 2 337.464 1.607 20 0 EDADLP C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844474 447959861 /nfs/dbraw/zinc/95/98/61/447959861.db2.gz XXYOREBRHRBYEN-AEFFLSMTSA-N 2 2 331.460 1.344 20 0 EDADLP C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844474 447959865 /nfs/dbraw/zinc/95/98/65/447959865.db2.gz XXYOREBRHRBYEN-AEFFLSMTSA-N 2 2 331.460 1.344 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000552879881 447962994 /nfs/dbraw/zinc/96/29/94/447962994.db2.gz JEJSIDCJGACBFY-DNVCBOLYSA-N 2 2 340.427 1.020 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000552879881 447962996 /nfs/dbraw/zinc/96/29/96/447962996.db2.gz JEJSIDCJGACBFY-DNVCBOLYSA-N 2 2 340.427 1.020 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000552879881 447963000 /nfs/dbraw/zinc/96/30/00/447963000.db2.gz JEJSIDCJGACBFY-DNVCBOLYSA-N 2 2 340.427 1.020 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000552879881 447963002 /nfs/dbraw/zinc/96/30/02/447963002.db2.gz JEJSIDCJGACBFY-DNVCBOLYSA-N 2 2 340.427 1.020 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000576061315 447963213 /nfs/dbraw/zinc/96/32/13/447963213.db2.gz UAUUITHWTHVSOM-MRXNPFEDSA-N 2 2 341.459 1.624 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000576061315 447963219 /nfs/dbraw/zinc/96/32/19/447963219.db2.gz UAUUITHWTHVSOM-MRXNPFEDSA-N 2 2 341.459 1.624 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000552905280 447963761 /nfs/dbraw/zinc/96/37/61/447963761.db2.gz WMUKANAOHLDAQD-IJEWVQPXSA-N 2 2 348.491 1.758 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000552905280 447963767 /nfs/dbraw/zinc/96/37/67/447963767.db2.gz WMUKANAOHLDAQD-IJEWVQPXSA-N 2 2 348.491 1.758 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CC2)[C@@H](C[NH3+])C1 ZINC000570382497 447997620 /nfs/dbraw/zinc/99/76/20/447997620.db2.gz ZZIVEVNRPPZDBN-HNNXBMFYSA-N 2 2 336.867 1.656 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CC2)[C@@H](C[NH3+])C1 ZINC000570382497 447997624 /nfs/dbraw/zinc/99/76/24/447997624.db2.gz ZZIVEVNRPPZDBN-HNNXBMFYSA-N 2 2 336.867 1.656 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COCc2ccccc2F)n1C ZINC000576339541 448030969 /nfs/dbraw/zinc/03/09/69/448030969.db2.gz BKUJEXLMVFQMTR-HNNXBMFYSA-N 2 2 336.411 1.293 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000570567703 448031675 /nfs/dbraw/zinc/03/16/75/448031675.db2.gz MHNVJLDEEUNNRC-KGLIPLIRSA-N 2 2 333.432 1.321 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000570567703 448031682 /nfs/dbraw/zinc/03/16/82/448031682.db2.gz MHNVJLDEEUNNRC-KGLIPLIRSA-N 2 2 333.432 1.321 20 0 EDADLP COC(=O)N1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)c[nH+]2)CC1 ZINC000497295257 448048413 /nfs/dbraw/zinc/04/84/13/448048413.db2.gz SZNALHFZXLGQDP-MZBDJJRSSA-N 2 2 345.447 1.665 20 0 EDADLP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000525999565 448075326 /nfs/dbraw/zinc/07/53/26/448075326.db2.gz CXGFQZVLUHOZQO-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000525999565 448075331 /nfs/dbraw/zinc/07/53/31/448075331.db2.gz CXGFQZVLUHOZQO-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000525999565 448075336 /nfs/dbraw/zinc/07/53/36/448075336.db2.gz CXGFQZVLUHOZQO-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000525999565 448075340 /nfs/dbraw/zinc/07/53/40/448075340.db2.gz CXGFQZVLUHOZQO-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+]1CCN(c2cccc(C(=O)Nc3c[nH+]c4n3CCCC4)n2)CC1 ZINC000570899597 448078896 /nfs/dbraw/zinc/07/88/96/448078896.db2.gz BMCPSZYTPOFORU-UHFFFAOYSA-N 2 2 340.431 1.619 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000576572782 448086087 /nfs/dbraw/zinc/08/60/87/448086087.db2.gz SLDFVGDPMWMENL-IYBDPMFKSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000576572782 448086094 /nfs/dbraw/zinc/08/60/94/448086094.db2.gz SLDFVGDPMWMENL-IYBDPMFKSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000531489838 448093747 /nfs/dbraw/zinc/09/37/47/448093747.db2.gz JTIWYSSVSBFCFG-INIZCTEOSA-N 2 2 328.416 1.625 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000531489838 448093751 /nfs/dbraw/zinc/09/37/51/448093751.db2.gz JTIWYSSVSBFCFG-INIZCTEOSA-N 2 2 328.416 1.625 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000576466285 448063163 /nfs/dbraw/zinc/06/31/63/448063163.db2.gz NWUFZCUHGLVDLY-KKUMJFAQSA-N 2 2 332.366 1.382 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000576466285 448063167 /nfs/dbraw/zinc/06/31/67/448063167.db2.gz NWUFZCUHGLVDLY-KKUMJFAQSA-N 2 2 332.366 1.382 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000497046906 448154146 /nfs/dbraw/zinc/15/41/46/448154146.db2.gz VIEDCYYDLXMIID-NFOMZHRRSA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000497046906 448154151 /nfs/dbraw/zinc/15/41/51/448154151.db2.gz VIEDCYYDLXMIID-NFOMZHRRSA-N 2 2 327.469 1.479 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000512441733 448156894 /nfs/dbraw/zinc/15/68/94/448156894.db2.gz RKQYAUCKCVIERO-SZMVWBNQSA-N 2 2 348.491 1.650 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000512441733 448156897 /nfs/dbraw/zinc/15/68/97/448156897.db2.gz RKQYAUCKCVIERO-SZMVWBNQSA-N 2 2 348.491 1.650 20 0 EDADLP CC[NH+]1CCCN(c2cc(N3CCC[N@@H+](CC)CC3)nc(C)[nH+]2)CC1 ZINC000531679882 448128308 /nfs/dbraw/zinc/12/83/08/448128308.db2.gz QCWAMSRIZIZDIG-UHFFFAOYSA-N 3 2 346.523 1.849 20 0 EDADLP CC[NH+]1CCCN(c2cc(N3CCC[N@H+](CC)CC3)nc(C)[nH+]2)CC1 ZINC000531679882 448128312 /nfs/dbraw/zinc/12/83/12/448128312.db2.gz QCWAMSRIZIZDIG-UHFFFAOYSA-N 3 2 346.523 1.849 20 0 EDADLP CC[NH+]1CCCN(c2cc(N3CCC[N@H+](CC)CC3)[nH+]c(C)n2)CC1 ZINC000531679882 448128316 /nfs/dbraw/zinc/12/83/16/448128316.db2.gz QCWAMSRIZIZDIG-UHFFFAOYSA-N 3 2 346.523 1.849 20 0 EDADLP CC[NH+]1CCCN(c2cc(N3CCC[N@@H+](CC)CC3)[nH+]c(C)n2)CC1 ZINC000531679882 448128318 /nfs/dbraw/zinc/12/83/18/448128318.db2.gz QCWAMSRIZIZDIG-UHFFFAOYSA-N 3 2 346.523 1.849 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000576747801 448129810 /nfs/dbraw/zinc/12/98/10/448129810.db2.gz CUDINPGICFXWIL-MSOLQXFVSA-N 2 2 349.519 1.559 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000576747801 448129818 /nfs/dbraw/zinc/12/98/18/448129818.db2.gz CUDINPGICFXWIL-MSOLQXFVSA-N 2 2 349.519 1.559 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531714375 448131314 /nfs/dbraw/zinc/13/13/14/448131314.db2.gz CGNZQYQWKZFKEQ-LZQZEXGQSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531714375 448131321 /nfs/dbraw/zinc/13/13/21/448131321.db2.gz CGNZQYQWKZFKEQ-LZQZEXGQSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531714375 448131327 /nfs/dbraw/zinc/13/13/27/448131327.db2.gz CGNZQYQWKZFKEQ-LZQZEXGQSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531714375 448131332 /nfs/dbraw/zinc/13/13/32/448131332.db2.gz CGNZQYQWKZFKEQ-LZQZEXGQSA-N 3 2 344.503 1.424 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)CCO1 ZINC000526992239 448134001 /nfs/dbraw/zinc/13/40/01/448134001.db2.gz XUXZXQNEBQPOSU-OFLPRAFFSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)CCO1 ZINC000526992239 448134003 /nfs/dbraw/zinc/13/40/03/448134003.db2.gz XUXZXQNEBQPOSU-OFLPRAFFSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC000577011571 448192284 /nfs/dbraw/zinc/19/22/84/448192284.db2.gz YQCVVBKABKMHGO-GJZGRUSLSA-N 2 2 335.452 1.171 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCO1 ZINC000577011571 448192288 /nfs/dbraw/zinc/19/22/88/448192288.db2.gz YQCVVBKABKMHGO-GJZGRUSLSA-N 2 2 335.452 1.171 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000514739493 448198027 /nfs/dbraw/zinc/19/80/27/448198027.db2.gz QZXPSVBLMQIXPU-MSOLQXFVSA-N 3 2 330.476 1.434 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000571752540 448198160 /nfs/dbraw/zinc/19/81/60/448198160.db2.gz BESRXPMPBHZVBI-OIISXLGYSA-N 2 2 326.448 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000571752540 448198164 /nfs/dbraw/zinc/19/81/64/448198164.db2.gz BESRXPMPBHZVBI-OIISXLGYSA-N 2 2 326.448 1.488 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000532296578 448228493 /nfs/dbraw/zinc/22/84/93/448228493.db2.gz HFKCAJNGAUXLME-UHFFFAOYSA-N 2 2 338.521 1.567 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000582414516 448230360 /nfs/dbraw/zinc/23/03/60/448230360.db2.gz ZHOBPYKQVWBWRH-CYBMUJFWSA-N 2 2 329.803 1.188 20 0 EDADLP CCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000571896249 448231958 /nfs/dbraw/zinc/23/19/58/448231958.db2.gz ZPIJFWRQNQPMJT-GJZGRUSLSA-N 2 2 333.432 1.228 20 0 EDADLP CCCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000571896249 448231965 /nfs/dbraw/zinc/23/19/65/448231965.db2.gz ZPIJFWRQNQPMJT-GJZGRUSLSA-N 2 2 333.432 1.228 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CC[NH2+]C2CC2)cc1 ZINC000582556608 448273574 /nfs/dbraw/zinc/27/35/74/448273574.db2.gz MBHGYSXQDFAGOL-GOSISDBHSA-N 2 2 331.460 1.627 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)sc2C1 ZINC000582491616 448254141 /nfs/dbraw/zinc/25/41/41/448254141.db2.gz NOSFQYJXRAONRS-LLVKDONJSA-N 2 2 331.445 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448296163 /nfs/dbraw/zinc/29/61/63/448296163.db2.gz FSTDNIKCXPMLMX-CQSZACIVSA-N 2 2 338.521 1.719 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000577646502 448352332 /nfs/dbraw/zinc/35/23/32/448352332.db2.gz MNHVOGOISDGNQM-HNNXBMFYSA-N 2 2 325.428 1.281 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000577646502 448352335 /nfs/dbraw/zinc/35/23/35/448352335.db2.gz MNHVOGOISDGNQM-HNNXBMFYSA-N 2 2 325.428 1.281 20 0 EDADLP O=C(NCC[NH+]1CCC1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000533107532 448358478 /nfs/dbraw/zinc/35/84/78/448358478.db2.gz ZGBIHTGKNWFPOB-UHFFFAOYSA-N 2 2 331.464 1.967 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ncc(Br)cc1F ZINC000527657331 448331780 /nfs/dbraw/zinc/33/17/80/448331780.db2.gz PCFMWJKJYUYQJZ-LLVKDONJSA-N 2 2 345.260 1.709 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000566159860 448398942 /nfs/dbraw/zinc/39/89/42/448398942.db2.gz RNYAGEIPIPEZMI-LSDHHAIUSA-N 2 2 328.476 1.935 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC000566159860 448398948 /nfs/dbraw/zinc/39/89/48/448398948.db2.gz RNYAGEIPIPEZMI-LSDHHAIUSA-N 2 2 328.476 1.935 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC2 ZINC000533555953 448416114 /nfs/dbraw/zinc/41/61/14/448416114.db2.gz LUMOYKKEOBELOL-JYJNAYRXSA-N 2 2 331.464 1.995 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@H+]3CCCC[C@@H]13)CCC2 ZINC000533555953 448416117 /nfs/dbraw/zinc/41/61/17/448416117.db2.gz LUMOYKKEOBELOL-JYJNAYRXSA-N 2 2 331.464 1.995 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nnc4n3CCCC4)C2)CC1 ZINC000572452680 448379375 /nfs/dbraw/zinc/37/93/75/448379375.db2.gz BIRIGHURFORZHJ-MRXNPFEDSA-N 2 2 332.496 1.215 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nnc4n3CCCC4)C2)CC1 ZINC000572452680 448379377 /nfs/dbraw/zinc/37/93/77/448379377.db2.gz BIRIGHURFORZHJ-MRXNPFEDSA-N 2 2 332.496 1.215 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000533708145 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/nfs/dbraw/zinc/47/43/63/448474363.db2.gz GROFNEMKFJFRBF-CZUORRHYSA-N 2 2 346.431 1.528 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000566460991 448481154 /nfs/dbraw/zinc/48/11/54/448481154.db2.gz MVKGZRKSGIZMKV-CQSZACIVSA-N 2 2 341.419 1.247 20 0 EDADLP Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)c[nH+]1 ZINC000535060712 448482185 /nfs/dbraw/zinc/48/21/85/448482185.db2.gz LQDCQGYOKVJRRQ-IRXDYDNUSA-N 2 2 332.448 1.620 20 0 EDADLP COc1c(N)[nH+]cnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000566484054 448488690 /nfs/dbraw/zinc/48/86/90/448488690.db2.gz HBMKUIZFTVFDLY-UHFFFAOYSA-N 2 2 328.420 1.984 20 0 EDADLP COc1c(N)nc[nH+]c1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000566484054 448488695 /nfs/dbraw/zinc/48/86/95/448488695.db2.gz HBMKUIZFTVFDLY-UHFFFAOYSA-N 2 2 328.420 1.984 20 0 EDADLP Cc1cnn(C)c1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000573031208 448526066 /nfs/dbraw/zinc/52/60/66/448526066.db2.gz ANFFAAMUKVUXFY-SFHVURJKSA-N 2 2 327.476 1.807 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000517073582 448535456 /nfs/dbraw/zinc/53/54/56/448535456.db2.gz KTWKMKRXWQVTAQ-UHFFFAOYSA-N 2 2 333.480 1.658 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000573126225 448551706 /nfs/dbraw/zinc/55/17/06/448551706.db2.gz LCCSAXARPGJTBT-RHSMWYFYSA-N 2 2 326.400 1.829 20 0 EDADLP COc1cc(Cl)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000573427963 448623067 /nfs/dbraw/zinc/62/30/67/448623067.db2.gz QIGIINNKBWSYEA-NSHDSACASA-N 2 2 326.828 1.764 20 0 EDADLP COc1cc(Cl)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000573427963 448623072 /nfs/dbraw/zinc/62/30/72/448623072.db2.gz QIGIINNKBWSYEA-NSHDSACASA-N 2 2 326.828 1.764 20 0 EDADLP O=C(CC[NH2+][C@H]1CCC[C@H]2C[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000578619071 448594274 /nfs/dbraw/zinc/59/42/74/448594274.db2.gz OTEUCKUIDFRRMN-BBWFWOEESA-N 2 2 328.460 1.899 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000538762596 448596037 /nfs/dbraw/zinc/59/60/37/448596037.db2.gz YWMDXFISYUMTQO-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000538762596 448596044 /nfs/dbraw/zinc/59/60/44/448596044.db2.gz YWMDXFISYUMTQO-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H](c2ccccc2)C1 ZINC000540901109 448650106 /nfs/dbraw/zinc/65/01/06/448650106.db2.gz XNEVBHZEPAZYPJ-WBVHZDCISA-N 2 2 348.410 1.490 20 0 EDADLP C[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H](c2ccccc2)C1 ZINC000540901109 448650109 /nfs/dbraw/zinc/65/01/09/448650109.db2.gz XNEVBHZEPAZYPJ-WBVHZDCISA-N 2 2 348.410 1.490 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000518270412 448659455 /nfs/dbraw/zinc/65/94/55/448659455.db2.gz MUCOIFGSRHOURC-BRWVUGGUSA-N 2 2 340.512 1.611 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000518270412 448659459 /nfs/dbraw/zinc/65/94/59/448659459.db2.gz MUCOIFGSRHOURC-BRWVUGGUSA-N 2 2 340.512 1.611 20 0 EDADLP [NH3+]CCCCn1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)nn1 ZINC000573727921 448698809 /nfs/dbraw/zinc/69/88/09/448698809.db2.gz FXIUIJKUMATESE-UHFFFAOYSA-N 2 2 325.376 1.455 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000592098060 448683351 /nfs/dbraw/zinc/68/33/51/448683351.db2.gz XFMRBHCWEPEWFA-SFHVURJKSA-N 2 2 342.443 1.772 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000592098060 448683353 /nfs/dbraw/zinc/68/33/53/448683353.db2.gz XFMRBHCWEPEWFA-SFHVURJKSA-N 2 2 342.443 1.772 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000578983958 448684683 /nfs/dbraw/zinc/68/46/83/448684683.db2.gz ASUNRICSDNWPJX-ZOBUZTSGSA-N 2 2 334.464 1.485 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(=O)[nH]n3)c2cc1C ZINC000573834946 448725550 /nfs/dbraw/zinc/72/55/50/448725550.db2.gz IGZPSDUOKYQYLO-CQSZACIVSA-N 2 2 327.388 1.299 20 0 EDADLP CC(C)[C@H](CNC[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000567679303 448736287 /nfs/dbraw/zinc/73/62/87/448736287.db2.gz RTTNUJBVBXRROW-MSOLQXFVSA-N 2 2 327.513 1.170 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000567684842 448739071 /nfs/dbraw/zinc/73/90/71/448739071.db2.gz PCSLDSZZTVOCTL-INWMFGNUSA-N 2 2 334.416 1.227 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000567684842 448739076 /nfs/dbraw/zinc/73/90/76/448739076.db2.gz PCSLDSZZTVOCTL-INWMFGNUSA-N 2 2 334.416 1.227 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)ccc2[nH+]1 ZINC000567713870 448746202 /nfs/dbraw/zinc/74/62/02/448746202.db2.gz OUABHEQRKMRHRK-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)ccc2[nH+]1 ZINC000567713870 448746207 /nfs/dbraw/zinc/74/62/07/448746207.db2.gz OUABHEQRKMRHRK-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC[NH2+]C12CCC2 ZINC000529300614 448812070 /nfs/dbraw/zinc/81/20/70/448812070.db2.gz BYURCWBSSBQGKC-JTQLQIEISA-N 2 2 331.342 1.529 20 0 EDADLP CC[NH+]1CCN(CCC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000586756277 448799532 /nfs/dbraw/zinc/79/95/32/448799532.db2.gz LTVZKTOITIKPKF-UHFFFAOYSA-N 2 2 330.476 1.146 20 0 EDADLP CCN1CC[NH+](CCC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000586756277 448799539 /nfs/dbraw/zinc/79/95/39/448799539.db2.gz LTVZKTOITIKPKF-UHFFFAOYSA-N 2 2 330.476 1.146 20 0 EDADLP C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000579907706 448905208 /nfs/dbraw/zinc/90/52/08/448905208.db2.gz VRKXHTHFALECNB-JKSUJKDBSA-N 2 2 341.459 1.840 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000579943231 448915115 /nfs/dbraw/zinc/91/51/15/448915115.db2.gz GUBGKZQNGNIYQF-CABCVRRESA-N 2 2 326.412 1.266 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000579943231 448915119 /nfs/dbraw/zinc/91/51/19/448915119.db2.gz GUBGKZQNGNIYQF-CABCVRRESA-N 2 2 326.412 1.266 20 0 EDADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000579983669 448929846 /nfs/dbraw/zinc/92/98/46/448929846.db2.gz UXALPGVLTVCTLW-UHFFFAOYSA-N 2 2 336.399 1.617 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000579824787 448886844 /nfs/dbraw/zinc/88/68/44/448886844.db2.gz VGAKRLAMOSGDLX-JKSUJKDBSA-N 2 2 330.432 1.224 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000589020045 448959815 /nfs/dbraw/zinc/95/98/15/448959815.db2.gz SFPROMAGXOOZGX-WCXIOVBPSA-N 2 2 349.479 1.555 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000589020045 448959819 /nfs/dbraw/zinc/95/98/19/448959819.db2.gz SFPROMAGXOOZGX-WCXIOVBPSA-N 2 2 349.479 1.555 20 0 EDADLP CCOc1ccc(OCC)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000521212719 448961232 /nfs/dbraw/zinc/96/12/32/448961232.db2.gz MVDAZCCWIQDTAD-CYBMUJFWSA-N 2 2 336.436 1.591 20 0 EDADLP CCOc1ccc(OCC)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000521212720 448961840 /nfs/dbraw/zinc/96/18/40/448961840.db2.gz MVDAZCCWIQDTAD-ZDUSSCGKSA-N 2 2 336.436 1.591 20 0 EDADLP COC(=O)C12CC(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)(C1)C2 ZINC000592758327 448972980 /nfs/dbraw/zinc/97/29/80/448972980.db2.gz WRQIVQDZBURPLU-UHFFFAOYSA-N 2 2 349.475 1.005 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000529834754 448976687 /nfs/dbraw/zinc/97/66/87/448976687.db2.gz GYMMMDPQLVYDLJ-HNNXBMFYSA-N 2 2 328.416 1.742 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000529834754 448976691 /nfs/dbraw/zinc/97/66/91/448976691.db2.gz GYMMMDPQLVYDLJ-HNNXBMFYSA-N 2 2 328.416 1.742 20 0 EDADLP CCOc1ccccc1[C@H](CC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569214722 448980049 /nfs/dbraw/zinc/98/00/49/448980049.db2.gz AQZSRXYDGQJCMR-HOCLYGCPSA-N 2 2 334.464 1.821 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)nc(C(C)C)[nH+]1 ZINC000529846617 448984778 /nfs/dbraw/zinc/98/47/78/448984778.db2.gz WYZFPJHZGIWRGJ-OAHLLOKOSA-N 2 2 331.464 2.063 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CCC[N@H+]2C2CC2)nc(C(C)C)[nH+]1 ZINC000529846617 448984780 /nfs/dbraw/zinc/98/47/80/448984780.db2.gz WYZFPJHZGIWRGJ-OAHLLOKOSA-N 2 2 331.464 2.063 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000568964186 448944682 /nfs/dbraw/zinc/94/46/82/448944682.db2.gz XQAHRUOWJDDNEC-UHFFFAOYSA-N 2 2 332.448 1.565 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000568964186 448944684 /nfs/dbraw/zinc/94/46/84/448944684.db2.gz XQAHRUOWJDDNEC-UHFFFAOYSA-N 2 2 332.448 1.565 20 0 EDADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)Cc1c[nH+]cn1C ZINC000548190923 449000858 /nfs/dbraw/zinc/00/08/58/449000858.db2.gz VGTZHGIGMCQVNM-UHFFFAOYSA-N 2 2 344.459 2.000 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000521613684 449000857 /nfs/dbraw/zinc/00/08/57/449000857.db2.gz XFALUBAXNRRTQW-AWEZNQCLSA-N 2 2 327.375 1.604 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000521613684 449000862 /nfs/dbraw/zinc/00/08/62/449000862.db2.gz XFALUBAXNRRTQW-AWEZNQCLSA-N 2 2 327.375 1.604 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000522322878 449078067 /nfs/dbraw/zinc/07/80/67/449078067.db2.gz OUGIOAGQXOXTFC-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000522322878 449078069 /nfs/dbraw/zinc/07/80/69/449078069.db2.gz OUGIOAGQXOXTFC-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CCCO1 ZINC000582229187 449041815 /nfs/dbraw/zinc/04/18/15/449041815.db2.gz QKSKNZJDHSGGSR-AWEZNQCLSA-N 2 2 330.388 1.355 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CCCO1 ZINC000582229187 449041821 /nfs/dbraw/zinc/04/18/21/449041821.db2.gz QKSKNZJDHSGGSR-AWEZNQCLSA-N 2 2 330.388 1.355 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CCO1 ZINC000575129082 449043414 /nfs/dbraw/zinc/04/34/14/449043414.db2.gz XUAKSQBXLYEZPC-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CCO1 ZINC000575129082 449043421 /nfs/dbraw/zinc/04/34/21/449043421.db2.gz XUAKSQBXLYEZPC-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000575129082 449043426 /nfs/dbraw/zinc/04/34/26/449043426.db2.gz XUAKSQBXLYEZPC-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC000575129082 449043433 /nfs/dbraw/zinc/04/34/33/449043433.db2.gz XUAKSQBXLYEZPC-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000569570230 449046184 /nfs/dbraw/zinc/04/61/84/449046184.db2.gz PBODYVPTMXQBTJ-UHFFFAOYSA-N 2 2 348.422 2.006 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[NH2+]C3CC3)c2)CC1 ZINC000575174105 449053621 /nfs/dbraw/zinc/05/36/21/449053621.db2.gz RUSBREKZCMCZPB-UHFFFAOYSA-N 2 2 330.432 1.041 20 0 EDADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000575172896 449053787 /nfs/dbraw/zinc/05/37/87/449053787.db2.gz SNDNNAOHNMKUQP-MANSERQUSA-N 3 2 337.508 1.111 20 0 EDADLP COC(=O)[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000593086922 449127958 /nfs/dbraw/zinc/12/79/58/449127958.db2.gz AWQUQMUGLASZKK-YJBOKZPZSA-N 2 2 348.443 1.281 20 0 EDADLP COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)O1 ZINC000593086922 449127961 /nfs/dbraw/zinc/12/79/61/449127961.db2.gz AWQUQMUGLASZKK-YJBOKZPZSA-N 2 2 348.443 1.281 20 0 EDADLP CN(C(=O)C(=O)c1ccc(F)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604420310 449229384 /nfs/dbraw/zinc/22/93/84/449229384.db2.gz XEBLSCPHAGRWCR-KRWDZBQOSA-N 2 2 347.434 1.635 20 0 EDADLP CN(C(=O)C(=O)c1ccc(F)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604420310 449229385 /nfs/dbraw/zinc/22/93/85/449229385.db2.gz XEBLSCPHAGRWCR-KRWDZBQOSA-N 2 2 347.434 1.635 20 0 EDADLP COC(=O)[C@@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000611574921 449343420 /nfs/dbraw/zinc/34/34/20/449343420.db2.gz KODDDXLHDWVOKG-INIZCTEOSA-N 2 2 337.464 1.147 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccn4cc(C)[nH+]c4c3)C2)CC1 ZINC000602098702 449344498 /nfs/dbraw/zinc/34/44/98/449344498.db2.gz SXKAYYUHOXPZJG-QGZVFWFLSA-N 2 2 341.459 1.495 20 0 EDADLP Cc1cc(C)n([C@@H](C)CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602204699 449431797 /nfs/dbraw/zinc/43/17/97/449431797.db2.gz WXTVVUQFZCFORL-IRXDYDNUSA-N 2 2 347.507 1.736 20 0 EDADLP Cc1cc(C)n([C@@H](C)CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602204699 449431803 /nfs/dbraw/zinc/43/18/03/449431803.db2.gz WXTVVUQFZCFORL-IRXDYDNUSA-N 2 2 347.507 1.736 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614088541 449451475 /nfs/dbraw/zinc/45/14/75/449451475.db2.gz CZNXZQAQBBIQIQ-JKSUJKDBSA-N 2 2 329.379 1.526 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614091184 449453282 /nfs/dbraw/zinc/45/32/82/449453282.db2.gz CPBAPIKRIDMONB-HOTGVXAUSA-N 2 2 327.444 1.134 20 0 EDADLP CS[C@@H]1CCC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000596319692 449473243 /nfs/dbraw/zinc/47/32/43/449473243.db2.gz ZQTNTNUVEPMJPI-HUUCEWRRSA-N 2 2 330.542 1.843 20 0 EDADLP CS[C@@H]1CCC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000596319692 449473248 /nfs/dbraw/zinc/47/32/48/449473248.db2.gz ZQTNTNUVEPMJPI-HUUCEWRRSA-N 2 2 330.542 1.843 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000611965193 449494073 /nfs/dbraw/zinc/49/40/73/449494073.db2.gz QHHZEPMVIFPHKQ-CJNGLKHVSA-N 2 2 333.432 1.874 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000611965193 449494076 /nfs/dbraw/zinc/49/40/76/449494076.db2.gz QHHZEPMVIFPHKQ-CJNGLKHVSA-N 2 2 333.432 1.874 20 0 EDADLP CC[C@@H](C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000617342660 449565663 /nfs/dbraw/zinc/56/56/63/449565663.db2.gz HDYFTSCUTUSZPF-XHSDSOJGSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000617342660 449565667 /nfs/dbraw/zinc/56/56/67/449565667.db2.gz HDYFTSCUTUSZPF-XHSDSOJGSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617342660 449565674 /nfs/dbraw/zinc/56/56/74/449565674.db2.gz HDYFTSCUTUSZPF-XHSDSOJGSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617342660 449565680 /nfs/dbraw/zinc/56/56/80/449565680.db2.gz HDYFTSCUTUSZPF-XHSDSOJGSA-N 2 2 325.497 1.865 20 0 EDADLP CCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OCC ZINC000594738152 449659013 /nfs/dbraw/zinc/65/90/13/449659013.db2.gz AYRWPVDIHPLXOV-HOTGVXAUSA-N 2 2 347.459 1.618 20 0 EDADLP CCCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OCC ZINC000594738152 449659021 /nfs/dbraw/zinc/65/90/21/449659021.db2.gz AYRWPVDIHPLXOV-HOTGVXAUSA-N 2 2 347.459 1.618 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000607940360 449677155 /nfs/dbraw/zinc/67/71/55/449677155.db2.gz TZHBZWRMKHMJOA-CQSZACIVSA-N 2 2 328.420 1.609 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000607940360 449677160 /nfs/dbraw/zinc/67/71/60/449677160.db2.gz TZHBZWRMKHMJOA-CQSZACIVSA-N 2 2 328.420 1.609 20 0 EDADLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O ZINC000601159178 449723556 /nfs/dbraw/zinc/72/35/56/449723556.db2.gz ITDMBAQKHKBTFB-CQSZACIVSA-N 2 2 336.436 1.233 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)[C@H](C)CO1 ZINC000617725198 449782977 /nfs/dbraw/zinc/78/29/77/449782977.db2.gz IQGJNIOVVOPCFW-IAGOWNOFSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)[C@H](C)CO1 ZINC000617725198 449782984 /nfs/dbraw/zinc/78/29/84/449782984.db2.gz IQGJNIOVVOPCFW-IAGOWNOFSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@H](C)CO1 ZINC000617725198 449782991 /nfs/dbraw/zinc/78/29/91/449782991.db2.gz IQGJNIOVVOPCFW-IAGOWNOFSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)CC[N@H+]2CCc3ccccc3C2)[C@H](C)CO1 ZINC000617725198 449782998 /nfs/dbraw/zinc/78/29/98/449782998.db2.gz IQGJNIOVVOPCFW-IAGOWNOFSA-N 2 2 345.487 1.660 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000612547356 449767052 /nfs/dbraw/zinc/76/70/52/449767052.db2.gz BXBKRJSLAVKAOV-KGLIPLIRSA-N 2 2 333.436 1.064 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000612547356 449767062 /nfs/dbraw/zinc/76/70/62/449767062.db2.gz BXBKRJSLAVKAOV-KGLIPLIRSA-N 2 2 333.436 1.064 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000594924564 449808677 /nfs/dbraw/zinc/80/86/77/449808677.db2.gz JJECSRYPEQHSMJ-CGTJXYLNSA-N 3 2 346.475 1.381 20 0 EDADLP Cc1onc(-c2ccncc2)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766023 449829042 /nfs/dbraw/zinc/82/90/42/449829042.db2.gz ZLOIKWYVKGIPGQ-UHFFFAOYSA-N 2 2 345.447 1.658 20 0 EDADLP Cc1onc(-c2ccncc2)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766023 449829049 /nfs/dbraw/zinc/82/90/49/449829049.db2.gz ZLOIKWYVKGIPGQ-UHFFFAOYSA-N 2 2 345.447 1.658 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000617767285 449830450 /nfs/dbraw/zinc/83/04/50/449830450.db2.gz NKNGBMJVLPUXLV-UHFFFAOYSA-N 3 2 346.519 1.896 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000617767285 449830451 /nfs/dbraw/zinc/83/04/51/449830451.db2.gz NKNGBMJVLPUXLV-UHFFFAOYSA-N 3 2 346.519 1.896 20 0 EDADLP Cc1ccc(-c2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]n2)o1 ZINC000617767366 449832072 /nfs/dbraw/zinc/83/20/72/449832072.db2.gz RCECSBHDCWRTLN-UHFFFAOYSA-N 2 2 333.436 1.591 20 0 EDADLP Cc1ccc(-c2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]n2)o1 ZINC000617767366 449832074 /nfs/dbraw/zinc/83/20/74/449832074.db2.gz RCECSBHDCWRTLN-UHFFFAOYSA-N 2 2 333.436 1.591 20 0 EDADLP CC[NH+]1CCN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000612712746 449846606 /nfs/dbraw/zinc/84/66/06/449846606.db2.gz WSWJBBSCIHSGQW-UHFFFAOYSA-N 2 2 345.491 1.156 20 0 EDADLP CN(C(=O)c1ccncc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608587397 449876246 /nfs/dbraw/zinc/87/62/46/449876246.db2.gz PWSPSGBBXCPKSN-AWEZNQCLSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1ccncc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608587397 449876253 /nfs/dbraw/zinc/87/62/53/449876253.db2.gz PWSPSGBBXCPKSN-AWEZNQCLSA-N 2 2 336.867 1.976 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)[C@H](C[NH3+])C1 ZINC000612939893 449947767 /nfs/dbraw/zinc/94/77/67/449947767.db2.gz DMPNNKTVZFWBLC-VQIMIIECSA-N 2 2 330.476 1.639 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc2c(c1)CCCO2 ZINC000612939221 449948516 /nfs/dbraw/zinc/94/85/16/449948516.db2.gz RJOXMSGWQYYABW-CZUORRHYSA-N 2 2 332.448 1.357 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000612862147 449915735 /nfs/dbraw/zinc/91/57/35/449915735.db2.gz IBXXFHHHSMXXJL-MJGOQNOKSA-N 2 2 346.475 1.420 20 0 EDADLP O=C(NCc1ccco1)c1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000615097585 449956300 /nfs/dbraw/zinc/95/63/00/449956300.db2.gz GYMYYVIDUVFRLH-CALCHBBNSA-N 2 2 325.412 1.861 20 0 EDADLP O=C(NCc1ccco1)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000615097585 449956307 /nfs/dbraw/zinc/95/63/07/449956307.db2.gz GYMYYVIDUVFRLH-CALCHBBNSA-N 2 2 325.412 1.861 20 0 EDADLP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000615138887 449973679 /nfs/dbraw/zinc/97/36/79/449973679.db2.gz PWYSHLWLBHCNPJ-DLBZAZTESA-N 2 2 336.432 1.125 20 0 EDADLP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000615138887 449973689 /nfs/dbraw/zinc/97/36/89/449973689.db2.gz PWYSHLWLBHCNPJ-DLBZAZTESA-N 2 2 336.432 1.125 20 0 EDADLP C[N@H+](CCCCC(=O)OC(C)(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989701 449985226 /nfs/dbraw/zinc/98/52/26/449985226.db2.gz ZSPRNNZEEJSPDH-UHFFFAOYSA-N 2 2 327.469 1.204 20 0 EDADLP C[N@@H+](CCCCC(=O)OC(C)(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989701 449985232 /nfs/dbraw/zinc/98/52/32/449985232.db2.gz ZSPRNNZEEJSPDH-UHFFFAOYSA-N 2 2 327.469 1.204 20 0 EDADLP CCc1ncncc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479748 450002521 /nfs/dbraw/zinc/00/25/21/450002521.db2.gz RYEYDMCLFPAJKY-OAHLLOKOSA-N 2 2 331.464 1.280 20 0 EDADLP CCc1ncncc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479748 450002527 /nfs/dbraw/zinc/00/25/27/450002527.db2.gz RYEYDMCLFPAJKY-OAHLLOKOSA-N 2 2 331.464 1.280 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[N@@H+]1C ZINC000595349047 450063634 /nfs/dbraw/zinc/06/36/34/450063634.db2.gz XIGDTJQOCPFXTN-ILXRZTDVSA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[N@H+]1C ZINC000595349047 450063639 /nfs/dbraw/zinc/06/36/39/450063639.db2.gz XIGDTJQOCPFXTN-ILXRZTDVSA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[NH+]1C ZINC000595349047 450063642 /nfs/dbraw/zinc/06/36/42/450063642.db2.gz XIGDTJQOCPFXTN-ILXRZTDVSA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[NH+]1C ZINC000595349047 450063646 /nfs/dbraw/zinc/06/36/46/450063646.db2.gz XIGDTJQOCPFXTN-ILXRZTDVSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@H+](C)CC[C@H]2CCCC[NH+]2C)C1=O ZINC000595326121 450040883 /nfs/dbraw/zinc/04/08/83/450040883.db2.gz IUAHOQZMSYLXCO-HZPDHXFCSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@@H+](C)CC[C@H]2CCCC[NH+]2C)C1=O ZINC000595326121 450040889 /nfs/dbraw/zinc/04/08/89/450040889.db2.gz IUAHOQZMSYLXCO-HZPDHXFCSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([NH+](C)CC[C@H]2CCCC[N@@H+]2C)C1=O ZINC000595326121 450040895 /nfs/dbraw/zinc/04/08/95/450040895.db2.gz IUAHOQZMSYLXCO-HZPDHXFCSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([NH+](C)CC[C@H]2CCCC[N@H+]2C)C1=O ZINC000595326121 450040901 /nfs/dbraw/zinc/04/09/01/450040901.db2.gz IUAHOQZMSYLXCO-HZPDHXFCSA-N 2 2 339.480 1.347 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595329897 450044563 /nfs/dbraw/zinc/04/45/63/450044563.db2.gz DOSAMFOWHXNORU-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595329897 450044565 /nfs/dbraw/zinc/04/45/65/450044565.db2.gz DOSAMFOWHXNORU-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP COC(=O)CCN1CC[C@@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C1=O ZINC000595403764 450116643 /nfs/dbraw/zinc/11/66/43/450116643.db2.gz MEAVLRKTYZAIJD-OAHLLOKOSA-N 2 2 346.431 1.122 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615547632 450137968 /nfs/dbraw/zinc/13/79/68/450137968.db2.gz QAAVQRMODGSTQQ-MRXNPFEDSA-N 2 2 342.443 1.668 20 0 EDADLP CCSC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000595518232 450202492 /nfs/dbraw/zinc/20/24/92/450202492.db2.gz SXWIZCJCORVKOE-CQSZACIVSA-N 2 2 340.537 1.740 20 0 EDADLP CCSC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000595518232 450202497 /nfs/dbraw/zinc/20/24/97/450202497.db2.gz SXWIZCJCORVKOE-CQSZACIVSA-N 2 2 340.537 1.740 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1C ZINC000603433348 450300020 /nfs/dbraw/zinc/30/00/20/450300020.db2.gz MJEUAUDNBZORBX-WDEREUQCSA-N 2 2 339.461 1.887 20 0 EDADLP C[NH+](C)CCNC(=O)c1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000623256613 450466944 /nfs/dbraw/zinc/46/69/44/450466944.db2.gz FXAFXCLBCKPJHW-UHFFFAOYSA-N 2 2 343.431 1.593 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000623308238 450492036 /nfs/dbraw/zinc/49/20/36/450492036.db2.gz XJFXYKBJMXEFAZ-RHSMWYFYSA-N 2 2 325.416 1.374 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000623308238 450492037 /nfs/dbraw/zinc/49/20/37/450492037.db2.gz XJFXYKBJMXEFAZ-RHSMWYFYSA-N 2 2 325.416 1.374 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)C(C)(C)CO ZINC000616865497 450503557 /nfs/dbraw/zinc/50/35/57/450503557.db2.gz VLQPHDHCFGCDSZ-OCCSQVGLSA-N 2 2 340.493 1.033 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(C)(C)CO ZINC000616865497 450503559 /nfs/dbraw/zinc/50/35/59/450503559.db2.gz VLQPHDHCFGCDSZ-OCCSQVGLSA-N 2 2 340.493 1.033 20 0 EDADLP C[N@H+](CCCNC(=O)NC[C@H]1COCC[NH+]1C)Cc1ccccc1 ZINC000623388334 450511159 /nfs/dbraw/zinc/51/11/59/450511159.db2.gz FWQXHKRSJSVINH-KRWDZBQOSA-N 2 2 334.464 1.138 20 0 EDADLP C[N@@H+](CCCNC(=O)NC[C@H]1COCC[NH+]1C)Cc1ccccc1 ZINC000623388334 450511160 /nfs/dbraw/zinc/51/11/60/450511160.db2.gz FWQXHKRSJSVINH-KRWDZBQOSA-N 2 2 334.464 1.138 20 0 EDADLP C[NH+](CCCNC(=O)NC[C@H]1COCC[N@@H+]1C)Cc1ccccc1 ZINC000623388334 450511162 /nfs/dbraw/zinc/51/11/62/450511162.db2.gz FWQXHKRSJSVINH-KRWDZBQOSA-N 2 2 334.464 1.138 20 0 EDADLP C[NH+](CCCNC(=O)NC[C@H]1COCC[N@H+]1C)Cc1ccccc1 ZINC000623388334 450511163 /nfs/dbraw/zinc/51/11/63/450511163.db2.gz FWQXHKRSJSVINH-KRWDZBQOSA-N 2 2 334.464 1.138 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)CC1(C)C ZINC000623470564 450526481 /nfs/dbraw/zinc/52/64/81/450526481.db2.gz QATVXRHPBCFQNO-QWHCGFSZSA-N 2 2 346.518 1.345 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)CC1(C)C ZINC000623470564 450526483 /nfs/dbraw/zinc/52/64/83/450526483.db2.gz QATVXRHPBCFQNO-QWHCGFSZSA-N 2 2 346.518 1.345 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623494676 450531432 /nfs/dbraw/zinc/53/14/32/450531432.db2.gz ZDLPYKRDXKOUSD-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623494676 450531439 /nfs/dbraw/zinc/53/14/39/450531439.db2.gz ZDLPYKRDXKOUSD-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623494676 450531441 /nfs/dbraw/zinc/53/14/41/450531441.db2.gz ZDLPYKRDXKOUSD-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623494676 450531443 /nfs/dbraw/zinc/53/14/43/450531443.db2.gz ZDLPYKRDXKOUSD-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000623565990 450544468 /nfs/dbraw/zinc/54/44/68/450544468.db2.gz AWQOOYIPBHDKTQ-IRXDYDNUSA-N 2 2 334.464 1.228 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)[NH+](C)C)cc1 ZINC000623565990 450544469 /nfs/dbraw/zinc/54/44/69/450544469.db2.gz AWQOOYIPBHDKTQ-IRXDYDNUSA-N 2 2 334.464 1.228 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000623597161 450548744 /nfs/dbraw/zinc/54/87/44/450548744.db2.gz ZJFJWUWRGHLCEA-NVXWUHKLSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000623597161 450548748 /nfs/dbraw/zinc/54/87/48/450548748.db2.gz ZJFJWUWRGHLCEA-NVXWUHKLSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1COCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000623597161 450548750 /nfs/dbraw/zinc/54/87/50/450548750.db2.gz ZJFJWUWRGHLCEA-NVXWUHKLSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1COCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000623597161 450548753 /nfs/dbraw/zinc/54/87/53/450548753.db2.gz ZJFJWUWRGHLCEA-NVXWUHKLSA-N 2 2 334.464 1.137 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1)CC2 ZINC000626023999 450555411 /nfs/dbraw/zinc/55/54/11/450555411.db2.gz YHCISMPPDOJDPO-YESZJQIVSA-N 2 2 348.491 1.760 20 0 EDADLP Cc1ncccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000623638796 450557553 /nfs/dbraw/zinc/55/75/53/450557553.db2.gz SEDHDAFHCIROBM-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1ncccc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000623638796 450557554 /nfs/dbraw/zinc/55/75/54/450557554.db2.gz SEDHDAFHCIROBM-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1cccn2c(C[NH2+][C@H]3CCN(c4ccc5nncn5n4)C3)c[nH+]c12 ZINC000623652887 450561157 /nfs/dbraw/zinc/56/11/57/450561157.db2.gz RZSMMKSORGTESY-AWEZNQCLSA-N 2 2 348.414 1.449 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000623837320 450609276 /nfs/dbraw/zinc/60/92/76/450609276.db2.gz XSCRRMORKYPJGD-KRWDZBQOSA-N 2 2 327.432 1.697 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000623837320 450609284 /nfs/dbraw/zinc/60/92/84/450609284.db2.gz XSCRRMORKYPJGD-KRWDZBQOSA-N 2 2 327.432 1.697 20 0 EDADLP CNS(=O)(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000621262012 450641050 /nfs/dbraw/zinc/64/10/50/450641050.db2.gz LVMDPCQVBZPURM-DOTOQJQBSA-N 2 2 339.505 1.521 20 0 EDADLP CNS(=O)(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000621262012 450641055 /nfs/dbraw/zinc/64/10/55/450641055.db2.gz LVMDPCQVBZPURM-DOTOQJQBSA-N 2 2 339.505 1.521 20 0 EDADLP CNS(=O)(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000621262012 450641059 /nfs/dbraw/zinc/64/10/59/450641059.db2.gz LVMDPCQVBZPURM-DOTOQJQBSA-N 2 2 339.505 1.521 20 0 EDADLP CNS(=O)(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000621262012 450641063 /nfs/dbraw/zinc/64/10/63/450641063.db2.gz LVMDPCQVBZPURM-DOTOQJQBSA-N 2 2 339.505 1.521 20 0 EDADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000621269925 450647209 /nfs/dbraw/zinc/64/72/09/450647209.db2.gz ITEOIUYXSGUZCU-CQSZACIVSA-N 2 2 336.461 1.358 20 0 EDADLP CNS(=O)(=O)CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000621269925 450647211 /nfs/dbraw/zinc/64/72/11/450647211.db2.gz ITEOIUYXSGUZCU-CQSZACIVSA-N 2 2 336.461 1.358 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)c3cnn(CC[NH+](C)C)c3)ccc2n1C ZINC000631557554 450655492 /nfs/dbraw/zinc/65/54/92/450655492.db2.gz AGHQUNAJKDLHQK-UHFFFAOYSA-N 2 2 326.404 1.892 20 0 EDADLP C[C@@H]1C[C@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000623984330 450660886 /nfs/dbraw/zinc/66/08/86/450660886.db2.gz DTKUNSPSVNWQSM-TZMCWYRMSA-N 2 2 327.436 1.186 20 0 EDADLP C[C@@H]1C[C@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000623984330 450660891 /nfs/dbraw/zinc/66/08/91/450660891.db2.gz DTKUNSPSVNWQSM-TZMCWYRMSA-N 2 2 327.436 1.186 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000633082128 450668236 /nfs/dbraw/zinc/66/82/36/450668236.db2.gz OGYBTMHUNPUYFZ-OAHLLOKOSA-N 2 2 349.504 1.528 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000633082128 450668242 /nfs/dbraw/zinc/66/82/42/450668242.db2.gz OGYBTMHUNPUYFZ-OAHLLOKOSA-N 2 2 349.504 1.528 20 0 EDADLP CS(=O)(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000624077517 450696793 /nfs/dbraw/zinc/69/67/93/450696793.db2.gz QLRGWLLUKYNQML-INIZCTEOSA-N 2 2 329.510 1.407 20 0 EDADLP CS(=O)(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000624077517 450696799 /nfs/dbraw/zinc/69/67/99/450696799.db2.gz QLRGWLLUKYNQML-INIZCTEOSA-N 2 2 329.510 1.407 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000631657560 450699029 /nfs/dbraw/zinc/69/90/29/450699029.db2.gz XRBUMJIQZHIWLM-AWEZNQCLSA-N 2 2 341.477 1.430 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H]2COCC[N@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000624085361 450700576 /nfs/dbraw/zinc/70/05/76/450700576.db2.gz PEAHDFTVSXZZIL-INIZCTEOSA-N 2 2 347.463 1.120 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H]2COCC[N@@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000624085361 450700579 /nfs/dbraw/zinc/70/05/79/450700579.db2.gz PEAHDFTVSXZZIL-INIZCTEOSA-N 2 2 347.463 1.120 20 0 EDADLP Cc1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000629546217 450728769 /nfs/dbraw/zinc/72/87/69/450728769.db2.gz OEZSFZXZJNXSTG-UHFFFAOYSA-N 2 2 336.867 1.791 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000631665091 450703107 /nfs/dbraw/zinc/70/31/07/450703107.db2.gz OMUABDOKUKLCIE-HNNXBMFYSA-N 2 2 347.912 1.814 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000631717823 450730160 /nfs/dbraw/zinc/73/01/60/450730160.db2.gz MGEXEOOEHWCWJV-UHFFFAOYSA-N 2 2 338.477 1.195 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)CCO1 ZINC000629558789 450736215 /nfs/dbraw/zinc/73/62/15/450736215.db2.gz NJCRSXCXBAHEBW-YLJYHZDGSA-N 3 2 347.503 1.454 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)CCO1 ZINC000629558789 450736221 /nfs/dbraw/zinc/73/62/21/450736221.db2.gz NJCRSXCXBAHEBW-YLJYHZDGSA-N 3 2 347.503 1.454 20 0 EDADLP O=C1[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCN1CCCc1ccccc1 ZINC000629562210 450737907 /nfs/dbraw/zinc/73/79/07/450737907.db2.gz BODWIVYTRAICML-RTBURBONSA-N 2 2 345.487 1.266 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000629567008 450738490 /nfs/dbraw/zinc/73/84/90/450738490.db2.gz LQRLKAOMJFIVAU-UHFFFAOYSA-N 2 2 345.237 1.846 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000629567008 450738494 /nfs/dbraw/zinc/73/84/94/450738494.db2.gz LQRLKAOMJFIVAU-UHFFFAOYSA-N 2 2 345.237 1.846 20 0 EDADLP O=C1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1c1ccc(Cl)cc1 ZINC000629564983 450739504 /nfs/dbraw/zinc/73/95/04/450739504.db2.gz NLMZGVQIHNIHKZ-JKSUJKDBSA-N 2 2 337.851 1.492 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633212213 450742572 /nfs/dbraw/zinc/74/25/72/450742572.db2.gz KMLZRXXUCYLLDG-UHFFFAOYSA-N 2 2 338.415 1.812 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000621515771 450753282 /nfs/dbraw/zinc/75/32/82/450753282.db2.gz TWASKNVHILHBIH-INIZCTEOSA-N 2 2 332.448 1.016 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629596583 450754861 /nfs/dbraw/zinc/75/48/61/450754861.db2.gz SDJXZTSIMLGSLO-AHRSYUTCSA-N 2 2 345.487 1.810 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629596583 450754868 /nfs/dbraw/zinc/75/48/68/450754868.db2.gz SDJXZTSIMLGSLO-AHRSYUTCSA-N 2 2 345.487 1.810 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629596584 450755862 /nfs/dbraw/zinc/75/58/62/450755862.db2.gz SDJXZTSIMLGSLO-FFZOFVMBSA-N 2 2 345.487 1.810 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629596584 450755865 /nfs/dbraw/zinc/75/58/65/450755865.db2.gz SDJXZTSIMLGSLO-FFZOFVMBSA-N 2 2 345.487 1.810 20 0 EDADLP CN(C(=O)NCC[C@H]1CC1(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621548676 450767879 /nfs/dbraw/zinc/76/78/79/450767879.db2.gz BSGIDIUNEGTDMN-DZGCQCFKSA-N 2 2 344.450 1.842 20 0 EDADLP CN(C(=O)NCC[C@H]1CC1(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621548676 450767883 /nfs/dbraw/zinc/76/78/83/450767883.db2.gz BSGIDIUNEGTDMN-DZGCQCFKSA-N 2 2 344.450 1.842 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631868954 450837232 /nfs/dbraw/zinc/83/72/32/450837232.db2.gz QYAJYIROATULLO-APWZRJJASA-N 2 2 331.460 1.822 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000631822996 450798486 /nfs/dbraw/zinc/79/84/86/450798486.db2.gz TZNGSMPBQPRYCF-ZFWWWQNUSA-N 2 2 347.463 1.417 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000631822996 450798492 /nfs/dbraw/zinc/79/84/92/450798492.db2.gz TZNGSMPBQPRYCF-ZFWWWQNUSA-N 2 2 347.463 1.417 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC[C@H]1COc2ccccc2O1 ZINC000631887425 450849620 /nfs/dbraw/zinc/84/96/20/450849620.db2.gz RFBYDUSBLYUYKS-OWCLPIDISA-N 2 2 345.443 1.017 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC[C@H]1COc2ccccc2O1 ZINC000631887425 450849625 /nfs/dbraw/zinc/84/96/25/450849625.db2.gz RFBYDUSBLYUYKS-OWCLPIDISA-N 2 2 345.443 1.017 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCc3[nH+]c[nH]c3[C@@H]2c2ccnn2C)CC[N@@H+]1C ZINC000633529217 450899676 /nfs/dbraw/zinc/89/96/76/450899676.db2.gz SAHSYQSUELHPCD-QEORTHHSSA-N 2 2 342.447 1.348 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCc3[nH+]c[nH]c3[C@@H]2c2ccnn2C)CC[N@H+]1C ZINC000633529217 450899680 /nfs/dbraw/zinc/89/96/80/450899680.db2.gz SAHSYQSUELHPCD-QEORTHHSSA-N 2 2 342.447 1.348 20 0 EDADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635400828 450907618 /nfs/dbraw/zinc/90/76/18/450907618.db2.gz HFOFJLHOGQYRSS-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635400828 450907622 /nfs/dbraw/zinc/90/76/22/450907622.db2.gz HFOFJLHOGQYRSS-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000635400828 450907626 /nfs/dbraw/zinc/90/76/26/450907626.db2.gz HFOFJLHOGQYRSS-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000635400828 450907630 /nfs/dbraw/zinc/90/76/30/450907630.db2.gz HFOFJLHOGQYRSS-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP COCCOCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000635456426 450956726 /nfs/dbraw/zinc/95/67/26/450956726.db2.gz QHEZDLZWHIBUPV-OAHLLOKOSA-N 2 2 338.452 1.448 20 0 EDADLP COCCOCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000635456426 450956731 /nfs/dbraw/zinc/95/67/31/450956731.db2.gz QHEZDLZWHIBUPV-OAHLLOKOSA-N 2 2 338.452 1.448 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624785366 450999211 /nfs/dbraw/zinc/99/92/11/450999211.db2.gz HSEBRVJQSJBNDT-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624785366 450999218 /nfs/dbraw/zinc/99/92/18/450999218.db2.gz HSEBRVJQSJBNDT-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000626926268 451009269 /nfs/dbraw/zinc/00/92/69/451009269.db2.gz ZTLPBLBBTHCLNG-JQHSSLGASA-N 2 2 346.475 1.418 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc(C)[nH+]1 ZINC000635543146 451038754 /nfs/dbraw/zinc/03/87/54/451038754.db2.gz YHPUBMXSLLNRMA-RBSFLKMASA-N 2 2 340.431 1.705 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc(C)[nH+]1 ZINC000635543146 451038762 /nfs/dbraw/zinc/03/87/62/451038762.db2.gz YHPUBMXSLLNRMA-RBSFLKMASA-N 2 2 340.431 1.705 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](CO)C3CCCC3)C2)CC1 ZINC000633865186 451052159 /nfs/dbraw/zinc/05/21/59/451052159.db2.gz GNOWJSBXUWCFAY-WBVHZDCISA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CO)C3CCCC3)C2)CC1 ZINC000633865186 451052161 /nfs/dbraw/zinc/05/21/61/451052161.db2.gz GNOWJSBXUWCFAY-WBVHZDCISA-N 2 2 338.496 1.005 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000627005307 451069731 /nfs/dbraw/zinc/06/97/31/451069731.db2.gz WSJCPXPJTXGSEJ-UGFHNGPFSA-N 2 2 340.830 1.885 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000627005307 451069735 /nfs/dbraw/zinc/06/97/35/451069735.db2.gz WSJCPXPJTXGSEJ-UGFHNGPFSA-N 2 2 340.830 1.885 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633898304 451082073 /nfs/dbraw/zinc/08/20/73/451082073.db2.gz BYYYXRBOIWKZRD-IAGOWNOFSA-N 2 2 340.427 1.574 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc2cc(=O)[nH]cc21 ZINC000628061736 451112465 /nfs/dbraw/zinc/11/24/65/451112465.db2.gz ODHOKCLOKJMBKL-UHFFFAOYSA-N 2 2 330.432 1.554 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc2cc(=O)[nH]cc21 ZINC000628061736 451112471 /nfs/dbraw/zinc/11/24/71/451112471.db2.gz ODHOKCLOKJMBKL-UHFFFAOYSA-N 2 2 330.432 1.554 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000635679806 451163394 /nfs/dbraw/zinc/16/33/94/451163394.db2.gz DMMZTJGWPKASQB-MRXNPFEDSA-N 2 2 334.464 1.618 20 0 EDADLP C[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)CC(C)(C)C ZINC000635693888 451176863 /nfs/dbraw/zinc/17/68/63/451176863.db2.gz DJTZLVLXTMKOQK-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP C[N@@H+](CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)CC(C)(C)C ZINC000635693888 451176868 /nfs/dbraw/zinc/17/68/68/451176868.db2.gz DJTZLVLXTMKOQK-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000635752129 451219314 /nfs/dbraw/zinc/21/93/14/451219314.db2.gz DSRCTDZEZMCYNL-KCXAZCMYSA-N 2 2 339.867 1.778 20 0 EDADLP C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000635752129 451219317 /nfs/dbraw/zinc/21/93/17/451219317.db2.gz DSRCTDZEZMCYNL-KCXAZCMYSA-N 2 2 339.867 1.778 20 0 EDADLP C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193960 451229255 /nfs/dbraw/zinc/22/92/55/451229255.db2.gz NZXTXWVDARDOEA-UONOGXRCSA-N 2 2 330.432 1.777 20 0 EDADLP CCC1(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCOCC1 ZINC000634193459 451229439 /nfs/dbraw/zinc/22/94/39/451229439.db2.gz IVKGCNUEHPISIU-UHFFFAOYSA-N 2 2 332.448 1.979 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COc3ccccc3F)c2)CC1 ZINC000634197470 451233918 /nfs/dbraw/zinc/23/39/18/451233918.db2.gz IHICTKQCUZOWRV-UHFFFAOYSA-N 2 2 344.390 1.990 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000638089611 451254064 /nfs/dbraw/zinc/25/40/64/451254064.db2.gz WMKMIUNGYSLPNG-MAUKXSAKSA-N 2 2 342.443 1.979 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)N3CC[NH2+]CC3=O)c2C1 ZINC000638089788 451256568 /nfs/dbraw/zinc/25/65/68/451256568.db2.gz SPYIKBWDKNFHEC-CYBMUJFWSA-N 2 2 330.432 1.171 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)N3CC[NH2+]CC3=O)c2C1 ZINC000638089788 451256573 /nfs/dbraw/zinc/25/65/73/451256573.db2.gz SPYIKBWDKNFHEC-CYBMUJFWSA-N 2 2 330.432 1.171 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000630578168 451258234 /nfs/dbraw/zinc/25/82/34/451258234.db2.gz FPGGYLXNQZRWRI-GBESFXJTSA-N 2 2 345.487 1.734 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000630578168 451258237 /nfs/dbraw/zinc/25/82/37/451258237.db2.gz FPGGYLXNQZRWRI-GBESFXJTSA-N 2 2 345.487 1.734 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000630578168 451258241 /nfs/dbraw/zinc/25/82/41/451258241.db2.gz FPGGYLXNQZRWRI-GBESFXJTSA-N 2 2 345.487 1.734 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000630578168 451258245 /nfs/dbraw/zinc/25/82/45/451258245.db2.gz FPGGYLXNQZRWRI-GBESFXJTSA-N 2 2 345.487 1.734 20 0 EDADLP NC(=O)C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000628474269 451263178 /nfs/dbraw/zinc/26/31/78/451263178.db2.gz RAQHKQNKVCRKCP-SFHVURJKSA-N 2 2 347.459 1.237 20 0 EDADLP NC(=O)C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000628474269 451263182 /nfs/dbraw/zinc/26/31/82/451263182.db2.gz RAQHKQNKVCRKCP-SFHVURJKSA-N 2 2 347.459 1.237 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1 ZINC000635818564 451266467 /nfs/dbraw/zinc/26/64/67/451266467.db2.gz HGVNUXPMRHJLHU-KURKYZTESA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1 ZINC000635818564 451266473 /nfs/dbraw/zinc/26/64/73/451266473.db2.gz HGVNUXPMRHJLHU-KURKYZTESA-N 2 2 331.460 1.868 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@]2(C)C[NH2+]CCO2)c1)[NH+]1CCOCC1 ZINC000638100708 451267187 /nfs/dbraw/zinc/26/71/87/451267187.db2.gz MQGBAUFMIIMVEE-KSSFIOAISA-N 2 2 333.432 1.397 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000628496597 451269546 /nfs/dbraw/zinc/26/95/46/451269546.db2.gz UZWBBDHLGDXKSY-INIZCTEOSA-N 2 2 325.478 1.584 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000628496597 451269551 /nfs/dbraw/zinc/26/95/51/451269551.db2.gz UZWBBDHLGDXKSY-INIZCTEOSA-N 2 2 325.478 1.584 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000638110274 451277625 /nfs/dbraw/zinc/27/76/25/451277625.db2.gz CPULQSUAGOUQNH-APWZRJJASA-N 2 2 342.443 1.657 20 0 EDADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635860662 451306384 /nfs/dbraw/zinc/30/63/84/451306384.db2.gz CGXPUBQCBRJAOG-GXTWGEPZSA-N 2 2 348.369 1.292 20 0 EDADLP C[C@H]1C[N@H+](Cc2c3c(nn2C)CCCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638136913 451311407 /nfs/dbraw/zinc/31/14/07/451311407.db2.gz CEWCQPUPOBADGL-QFBILLFUSA-N 2 2 345.535 1.757 20 0 EDADLP C[C@H]1C[N@@H+](Cc2c3c(nn2C)CCCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638136913 451311413 /nfs/dbraw/zinc/31/14/13/451311413.db2.gz CEWCQPUPOBADGL-QFBILLFUSA-N 2 2 345.535 1.757 20 0 EDADLP O=c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cccn1C(F)F ZINC000638119147 451288478 /nfs/dbraw/zinc/28/84/78/451288478.db2.gz KDMSJYJVDXVPMG-ZDUSSCGKSA-N 2 2 327.375 1.398 20 0 EDADLP O=c1c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cccn1C(F)F ZINC000638119147 451288482 /nfs/dbraw/zinc/28/84/82/451288482.db2.gz KDMSJYJVDXVPMG-ZDUSSCGKSA-N 2 2 327.375 1.398 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1nc3c(s1)C[C@@H]([NH3+])CC3)CC2 ZINC000638230258 451370722 /nfs/dbraw/zinc/37/07/22/451370722.db2.gz BXVXJFRZBSDFCF-QWRGUYRKSA-N 2 2 331.445 1.665 20 0 EDADLP COC[C@@]1(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCC[NH2+]1 ZINC000638234186 451373363 /nfs/dbraw/zinc/37/33/63/451373363.db2.gz YYXQADWQGGKYFM-YPMHNXCESA-N 2 2 334.342 1.261 20 0 EDADLP c1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000638183164 451342831 /nfs/dbraw/zinc/34/28/31/451342831.db2.gz UQVFLLCINVILMD-FRQCXROJSA-N 2 2 345.491 1.763 20 0 EDADLP c1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000638183164 451342836 /nfs/dbraw/zinc/34/28/36/451342836.db2.gz UQVFLLCINVILMD-FRQCXROJSA-N 2 2 345.491 1.763 20 0 EDADLP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000638183164 451342841 /nfs/dbraw/zinc/34/28/41/451342841.db2.gz UQVFLLCINVILMD-FRQCXROJSA-N 2 2 345.491 1.763 20 0 EDADLP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000638183164 451342845 /nfs/dbraw/zinc/34/28/45/451342845.db2.gz UQVFLLCINVILMD-FRQCXROJSA-N 2 2 345.491 1.763 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635968385 451405216 /nfs/dbraw/zinc/40/52/16/451405216.db2.gz ZRFVRMLGZDHDJG-NSHDSACASA-N 2 2 344.341 1.773 20 0 EDADLP Cn1c2ccc(NC(=O)CN3CC[NH2+]CC3)cc2[nH+]c1C(C)(C)C ZINC000638292297 451408991 /nfs/dbraw/zinc/40/89/91/451408991.db2.gz GOUXUWTVHGGIIR-UHFFFAOYSA-N 2 2 329.448 1.715 20 0 EDADLP CC(C)(O)C[NH+]1CCC(NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000638326087 451434484 /nfs/dbraw/zinc/43/44/84/451434484.db2.gz JECPYFZJPIVGGK-UHFFFAOYSA-N 2 2 331.504 1.870 20 0 EDADLP CC(C)(O)C[NH+]1CCC(NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000638326087 451434489 /nfs/dbraw/zinc/43/44/89/451434489.db2.gz JECPYFZJPIVGGK-UHFFFAOYSA-N 2 2 331.504 1.870 20 0 EDADLP OCc1ccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000638352474 451452590 /nfs/dbraw/zinc/45/25/90/451452590.db2.gz NRLXVGUNBFDCLX-UHFFFAOYSA-N 2 2 341.459 1.271 20 0 EDADLP C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000634698102 451469263 /nfs/dbraw/zinc/46/92/63/451469263.db2.gz AGLNTDUJWJJRKW-RTBURBONSA-N 2 2 329.444 1.933 20 0 EDADLP C[C@](O)(C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000634699009 451470095 /nfs/dbraw/zinc/47/00/95/451470095.db2.gz CXMVBMDMHCMJHL-PMACEKPBSA-N 2 2 348.487 1.520 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000632642886 451481969 /nfs/dbraw/zinc/48/19/69/451481969.db2.gz QSJCLIORUWJGOM-UHFFFAOYSA-N 2 2 349.460 1.020 20 0 EDADLP CCC[C@H](CCO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636790630 451511278 /nfs/dbraw/zinc/51/12/78/451511278.db2.gz AHFXPERPKRGRKF-HUUCEWRRSA-N 2 2 326.485 1.005 20 0 EDADLP CCC[C@H](CCO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636790630 451511281 /nfs/dbraw/zinc/51/12/81/451511281.db2.gz AHFXPERPKRGRKF-HUUCEWRRSA-N 2 2 326.485 1.005 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CCCN1 ZINC000638436791 451514897 /nfs/dbraw/zinc/51/48/97/451514897.db2.gz OAGCKKXWMNXRSM-KRWDZBQOSA-N 2 2 347.459 1.156 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[NH+](CCCF)CC2)cc1 ZINC000636102700 451517262 /nfs/dbraw/zinc/51/72/62/451517262.db2.gz UAPTYMCGUDJCOP-SFHVURJKSA-N 2 2 349.450 1.773 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[NH+](CCCF)CC2)cc1 ZINC000636102700 451517266 /nfs/dbraw/zinc/51/72/66/451517266.db2.gz UAPTYMCGUDJCOP-SFHVURJKSA-N 2 2 349.450 1.773 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000636852223 451555112 /nfs/dbraw/zinc/55/51/12/451555112.db2.gz KBKMRGRZWFYPAJ-QGZVFWFLSA-N 2 2 337.439 1.437 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000636852223 451555116 /nfs/dbraw/zinc/55/51/16/451555116.db2.gz KBKMRGRZWFYPAJ-QGZVFWFLSA-N 2 2 337.439 1.437 20 0 EDADLP Cc1nc(NCCCC[NH+]2CCN(c3ccccc3)CC2)nc(N)[nH+]1 ZINC000631065010 451564128 /nfs/dbraw/zinc/56/41/28/451564128.db2.gz REWQVMKVICVCJN-UHFFFAOYSA-N 2 2 341.463 1.198 20 0 EDADLP Cc1nc(N)nc(NCCCC[NH+]2CCN(c3ccccc3)CC2)[nH+]1 ZINC000631065010 451564133 /nfs/dbraw/zinc/56/41/33/451564133.db2.gz REWQVMKVICVCJN-UHFFFAOYSA-N 2 2 341.463 1.198 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000634813463 451568558 /nfs/dbraw/zinc/56/85/58/451568558.db2.gz LYJCKORYWNJHEU-HUUCEWRRSA-N 2 2 333.480 1.875 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000634813463 451568560 /nfs/dbraw/zinc/56/85/60/451568560.db2.gz LYJCKORYWNJHEU-HUUCEWRRSA-N 2 2 333.480 1.875 20 0 EDADLP CN1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCC1=O ZINC000631077660 451570905 /nfs/dbraw/zinc/57/09/05/451570905.db2.gz XSUVVPBRURZHPA-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631087773 451576549 /nfs/dbraw/zinc/57/65/49/451576549.db2.gz FSGHEVBBPTZVSP-QMTHXVAHSA-N 2 2 343.880 1.560 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631087773 451576552 /nfs/dbraw/zinc/57/65/52/451576552.db2.gz FSGHEVBBPTZVSP-QMTHXVAHSA-N 2 2 343.880 1.560 20 0 EDADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000629169391 451577826 /nfs/dbraw/zinc/57/78/26/451577826.db2.gz RZLWZEYZXJFQMM-CQSZACIVSA-N 2 2 327.384 1.670 20 0 EDADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccccc1Oc1cc[nH+]cc1 ZINC000629169391 451577829 /nfs/dbraw/zinc/57/78/29/451577829.db2.gz RZLWZEYZXJFQMM-CQSZACIVSA-N 2 2 327.384 1.670 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000638581378 451588389 /nfs/dbraw/zinc/58/83/89/451588389.db2.gz BVYKAMUZHGCBTK-INIZCTEOSA-N 2 2 349.450 1.756 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000631097846 451581217 /nfs/dbraw/zinc/58/12/17/451581217.db2.gz GIADUASEZNEXKH-CVEARBPZSA-N 2 2 333.480 2.032 20 0 EDADLP CCOCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCc2ccccc21 ZINC000638631527 451620874 /nfs/dbraw/zinc/62/08/74/451620874.db2.gz VVOCYQMOFAJTHO-MSOLQXFVSA-N 2 2 333.476 1.818 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000634962208 451625818 /nfs/dbraw/zinc/62/58/18/451625818.db2.gz NQNKMDGTDLELOR-BBWFWOEESA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000634962208 451625822 /nfs/dbraw/zinc/62/58/22/451625822.db2.gz NQNKMDGTDLELOR-BBWFWOEESA-N 2 2 346.537 1.680 20 0 EDADLP C[NH+](C)[C@@]1(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CCSC1 ZINC000638723095 451665707 /nfs/dbraw/zinc/66/57/07/451665707.db2.gz YBFJMUKCFLJPFW-CQSZACIVSA-N 2 2 349.566 1.264 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000632923220 451653109 /nfs/dbraw/zinc/65/31/09/451653109.db2.gz NPTXDONXGKUOQI-OAHLLOKOSA-N 2 2 347.463 1.962 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000638686398 451653073 /nfs/dbraw/zinc/65/30/73/451653073.db2.gz KQQUFDDLQOOYIC-JKSUJKDBSA-N 2 2 332.473 1.819 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000638686398 451653079 /nfs/dbraw/zinc/65/30/79/451653079.db2.gz KQQUFDDLQOOYIC-JKSUJKDBSA-N 2 2 332.473 1.819 20 0 EDADLP Cc1nc(NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)nc(N)[nH+]1 ZINC000631286824 451681786 /nfs/dbraw/zinc/68/17/86/451681786.db2.gz ZRYWOUCMNBSMMR-HNNXBMFYSA-N 2 2 330.436 1.686 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2[nH+]1 ZINC000638792854 451693463 /nfs/dbraw/zinc/69/34/63/451693463.db2.gz SVRYKGPFPPBJMU-QGZVFWFLSA-N 2 2 342.443 1.873 20 0 EDADLP Cc1ccc(CC[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000638872488 451715722 /nfs/dbraw/zinc/71/57/22/451715722.db2.gz VGDUXOGGFMJBIC-GOSISDBHSA-N 2 2 331.460 1.060 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000636465291 451721869 /nfs/dbraw/zinc/72/18/69/451721869.db2.gz XREUOFNLNVHMRG-MRXNPFEDSA-N 2 2 343.431 1.452 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000636465291 451721872 /nfs/dbraw/zinc/72/18/72/451721872.db2.gz XREUOFNLNVHMRG-MRXNPFEDSA-N 2 2 343.431 1.452 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(F)F ZINC000641014234 451729626 /nfs/dbraw/zinc/72/96/26/451729626.db2.gz LFIDCQPTAUOKKA-ICIURTGMSA-N 2 2 330.423 1.592 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(F)F ZINC000641014234 451729628 /nfs/dbraw/zinc/72/96/28/451729628.db2.gz LFIDCQPTAUOKKA-ICIURTGMSA-N 2 2 330.423 1.592 20 0 EDADLP CCc1[nH+]ccn1Cc1cn(Cc2[nH+]ccn2CC(F)(F)F)nn1 ZINC000641029370 451734388 /nfs/dbraw/zinc/73/43/88/451734388.db2.gz SRCQLHTXAYVJSU-UHFFFAOYSA-N 2 2 339.325 1.892 20 0 EDADLP C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638958017 451742693 /nfs/dbraw/zinc/74/26/93/451742693.db2.gz CZRZHEJDNIQKNO-AEFFLSMTSA-N 2 2 334.460 1.600 20 0 EDADLP C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638958017 451742695 /nfs/dbraw/zinc/74/26/95/451742695.db2.gz CZRZHEJDNIQKNO-AEFFLSMTSA-N 2 2 334.460 1.600 20 0 EDADLP Cc1cc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc(N2CCCC2)[nH+]1 ZINC000637156257 451742904 /nfs/dbraw/zinc/74/29/04/451742904.db2.gz MNIRKGFDABNLKU-HNNXBMFYSA-N 2 2 340.431 1.611 20 0 EDADLP CN(C)c1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(F)c1 ZINC000638985155 451746799 /nfs/dbraw/zinc/74/67/99/451746799.db2.gz AILHTIQSWQRAPX-UHFFFAOYSA-N 2 2 343.406 1.949 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(NC2CC2)nc1 ZINC000638986505 451747231 /nfs/dbraw/zinc/74/72/31/451747231.db2.gz QXUFNZIULLSVKU-UHFFFAOYSA-N 2 2 338.415 1.713 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987341 451747786 /nfs/dbraw/zinc/74/77/86/451747786.db2.gz PTYZKGMPLKHKIA-QGZVFWFLSA-N 3 2 341.415 1.138 20 0 EDADLP Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000637171718 451748342 /nfs/dbraw/zinc/74/83/42/451748342.db2.gz MEZAMXQOFZJELT-CQSZACIVSA-N 2 2 331.464 1.196 20 0 EDADLP Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000637171718 451748343 /nfs/dbraw/zinc/74/83/43/451748343.db2.gz MEZAMXQOFZJELT-CQSZACIVSA-N 2 2 331.464 1.196 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000638988794 451748613 /nfs/dbraw/zinc/74/86/13/451748613.db2.gz DYSOWQZXNOOLTF-HUUCEWRRSA-N 2 2 334.489 1.769 20 0 EDADLP [NH3+]CC1(CC(=O)N2CC[NH+](CCc3cnccn3)CC2)CCCCC1 ZINC000639005027 451751098 /nfs/dbraw/zinc/75/10/98/451751098.db2.gz TZUKOVOHNBKAIO-UHFFFAOYSA-N 2 2 345.491 1.463 20 0 EDADLP OC1CCC([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000639062391 451760158 /nfs/dbraw/zinc/76/01/58/451760158.db2.gz YKDBMNDVFNQLCN-UHFFFAOYSA-N 2 2 334.460 1.791 20 0 EDADLP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000639117901 451771421 /nfs/dbraw/zinc/77/14/21/451771421.db2.gz UEXXVAQDDJXSNZ-GOSISDBHSA-N 2 2 334.460 1.600 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000639117901 451771423 /nfs/dbraw/zinc/77/14/23/451771423.db2.gz UEXXVAQDDJXSNZ-GOSISDBHSA-N 2 2 334.460 1.600 20 0 EDADLP CC(C)Oc1cc[nH+]c(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641202065 451779080 /nfs/dbraw/zinc/77/90/80/451779080.db2.gz PJYDYHNLCCFXBB-UHFFFAOYSA-N 3 2 344.463 1.474 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637288117 451781558 /nfs/dbraw/zinc/78/15/58/451781558.db2.gz DIDUTFSWFKLNHB-HZPDHXFCSA-N 2 2 325.416 1.382 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637288117 451781560 /nfs/dbraw/zinc/78/15/60/451781560.db2.gz DIDUTFSWFKLNHB-HZPDHXFCSA-N 2 2 325.416 1.382 20 0 EDADLP C[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000639233891 451796063 /nfs/dbraw/zinc/79/60/63/451796063.db2.gz XTOLZOXQJLAVKD-CQSZACIVSA-N 2 2 326.448 1.256 20 0 EDADLP C[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+](Cc2ccccc2)C1 ZINC000639233891 451796065 /nfs/dbraw/zinc/79/60/65/451796065.db2.gz XTOLZOXQJLAVKD-CQSZACIVSA-N 2 2 326.448 1.256 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CN(CC[NH+](C)C)C(=O)[C@@H]3C)cc2n1C ZINC000649070331 451804907 /nfs/dbraw/zinc/80/49/07/451804907.db2.gz MRRSVNFCSHANFJ-LBPRGKRZSA-N 2 2 343.431 1.074 20 0 EDADLP CC[NH+](CC)[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)c1ccco1 ZINC000641301123 451825687 /nfs/dbraw/zinc/82/56/87/451825687.db2.gz DAGWUZJEQOSWKM-AWEZNQCLSA-N 2 2 340.449 1.479 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H](C)O1 ZINC000651461004 451843062 /nfs/dbraw/zinc/84/30/62/451843062.db2.gz GBUNITPKDUUQFA-HZPDHXFCSA-N 2 2 348.491 1.768 20 0 EDADLP C[C@]12C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@@]1(C)C(=O)NC2=O ZINC000639370086 451852320 /nfs/dbraw/zinc/85/23/20/451852320.db2.gz XOJZXOCPMWIQIS-IYBDPMFKSA-N 2 2 330.413 1.418 20 0 EDADLP C[C@]12C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@@]1(C)C(=O)NC2=O ZINC000639370086 451852324 /nfs/dbraw/zinc/85/23/24/451852324.db2.gz XOJZXOCPMWIQIS-IYBDPMFKSA-N 2 2 330.413 1.418 20 0 EDADLP C[C@@H]([NH2+]C(C)(C)CNC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000644545640 451853661 /nfs/dbraw/zinc/85/36/61/451853661.db2.gz ANJVXOWMRWSVBU-SJLPKXTDSA-N 2 2 335.492 1.399 20 0 EDADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000644545640 451853667 /nfs/dbraw/zinc/85/36/67/451853667.db2.gz ANJVXOWMRWSVBU-SJLPKXTDSA-N 2 2 335.492 1.399 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cnc2c(Br)cccn12 ZINC000653347389 451858313 /nfs/dbraw/zinc/85/83/13/451858313.db2.gz AHLIBGKPAUSSDX-JTQLQIEISA-N 2 2 340.225 1.314 20 0 EDADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000644560744 451860831 /nfs/dbraw/zinc/86/08/31/451860831.db2.gz JHGKOTGQBQOANM-IAGOWNOFSA-N 2 2 327.513 1.170 20 0 EDADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000644560744 451860835 /nfs/dbraw/zinc/86/08/35/451860835.db2.gz JHGKOTGQBQOANM-IAGOWNOFSA-N 2 2 327.513 1.170 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000637446376 451862035 /nfs/dbraw/zinc/86/20/35/451862035.db2.gz RHUBEYJYIKSDNF-KRWDZBQOSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000637446376 451862038 /nfs/dbraw/zinc/86/20/38/451862038.db2.gz RHUBEYJYIKSDNF-KRWDZBQOSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCOc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000646835351 451873995 /nfs/dbraw/zinc/87/39/95/451873995.db2.gz MQRFQBGIZRIXHJ-ZDUSSCGKSA-N 2 2 327.375 1.225 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCOc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000646835351 451874001 /nfs/dbraw/zinc/87/40/01/451874001.db2.gz MQRFQBGIZRIXHJ-ZDUSSCGKSA-N 2 2 327.375 1.225 20 0 EDADLP Cc1cccn2cc(CC[NH2+]C[C@@H](O)COC3CCOCC3)[nH+]c12 ZINC000644581839 451875686 /nfs/dbraw/zinc/87/56/86/451875686.db2.gz UAXVNLXJIXXXRG-MRXNPFEDSA-N 2 2 333.432 1.331 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000651521983 451887297 /nfs/dbraw/zinc/88/72/97/451887297.db2.gz MFJIWQRLOLKUQZ-IRXDYDNUSA-N 2 2 346.475 1.522 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637471611 451888443 /nfs/dbraw/zinc/88/84/43/451888443.db2.gz WPWBYGAHRMTTAL-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637471611 451888448 /nfs/dbraw/zinc/88/84/48/451888448.db2.gz WPWBYGAHRMTTAL-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP CC(=O)Nc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000644634341 451907284 /nfs/dbraw/zinc/90/72/84/451907284.db2.gz SXOSJHKVQFFWPQ-SFHVURJKSA-N 2 2 342.443 1.623 20 0 EDADLP CC(=O)Nc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cn1 ZINC000644634341 451907289 /nfs/dbraw/zinc/90/72/89/451907289.db2.gz SXOSJHKVQFFWPQ-SFHVURJKSA-N 2 2 342.443 1.623 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000646920648 451937759 /nfs/dbraw/zinc/93/77/59/451937759.db2.gz SVHOGJIGCZNJMG-ZWKOTPCHSA-N 2 2 329.444 1.295 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000646920648 451937767 /nfs/dbraw/zinc/93/77/67/451937767.db2.gz SVHOGJIGCZNJMG-ZWKOTPCHSA-N 2 2 329.444 1.295 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)CNc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000644691024 451939750 /nfs/dbraw/zinc/93/97/50/451939750.db2.gz JGOPUMBSHHDRGE-DAYGRLMNSA-N 2 2 330.432 1.754 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)CNc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000644691024 451939757 /nfs/dbraw/zinc/93/97/57/451939757.db2.gz JGOPUMBSHHDRGE-DAYGRLMNSA-N 2 2 330.432 1.754 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000649269013 451942114 /nfs/dbraw/zinc/94/21/14/451942114.db2.gz RYMCXMHLJNLAJG-UHFFFAOYSA-N 2 2 343.471 1.875 20 0 EDADLP CC[N@H+](CCCNC(=O)CN1CCCC[C@@H]([NH3+])C1=O)c1ccccc1 ZINC000649281563 451953980 /nfs/dbraw/zinc/95/39/80/451953980.db2.gz TXJQKHJKAQRTPZ-QGZVFWFLSA-N 2 2 346.475 1.359 20 0 EDADLP CC[N@@H+](CCCNC(=O)CN1CCCC[C@@H]([NH3+])C1=O)c1ccccc1 ZINC000649281563 451953985 /nfs/dbraw/zinc/95/39/85/451953985.db2.gz TXJQKHJKAQRTPZ-QGZVFWFLSA-N 2 2 346.475 1.359 20 0 EDADLP CC1=CC[NH+](CCNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000641425557 451964570 /nfs/dbraw/zinc/96/45/70/451964570.db2.gz JXUKCWHKZLXRTM-UHFFFAOYSA-N 2 2 349.500 1.605 20 0 EDADLP CC1=CC[NH+](CCNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000641425557 451964576 /nfs/dbraw/zinc/96/45/76/451964576.db2.gz JXUKCWHKZLXRTM-UHFFFAOYSA-N 2 2 349.500 1.605 20 0 EDADLP CC1=CC[N@H+](CCNS(=O)(=O)c2cccc3c2CC[NH+](C)C3)CC1 ZINC000641425557 451964580 /nfs/dbraw/zinc/96/45/80/451964580.db2.gz JXUKCWHKZLXRTM-UHFFFAOYSA-N 2 2 349.500 1.605 20 0 EDADLP CC1=CC[N@@H+](CCNS(=O)(=O)c2cccc3c2CC[NH+](C)C3)CC1 ZINC000641425557 451964584 /nfs/dbraw/zinc/96/45/84/451964584.db2.gz JXUKCWHKZLXRTM-UHFFFAOYSA-N 2 2 349.500 1.605 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639607847 451971505 /nfs/dbraw/zinc/97/15/05/451971505.db2.gz WPNLHWFKSRTVQT-XSYGEPLQSA-N 2 2 343.471 1.209 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639607847 451971507 /nfs/dbraw/zinc/97/15/07/451971507.db2.gz WPNLHWFKSRTVQT-XSYGEPLQSA-N 2 2 343.471 1.209 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639607847 451971509 /nfs/dbraw/zinc/97/15/09/451971509.db2.gz WPNLHWFKSRTVQT-XSYGEPLQSA-N 2 2 343.471 1.209 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639607847 451971513 /nfs/dbraw/zinc/97/15/13/451971513.db2.gz WPNLHWFKSRTVQT-XSYGEPLQSA-N 2 2 343.471 1.209 20 0 EDADLP CCCN1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC000639607321 451972080 /nfs/dbraw/zinc/97/20/80/451972080.db2.gz UNNPVMYGIATBJR-HXUWFJFHSA-N 2 2 345.487 1.568 20 0 EDADLP CCCN1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC000639607321 451972085 /nfs/dbraw/zinc/97/20/85/451972085.db2.gz UNNPVMYGIATBJR-HXUWFJFHSA-N 2 2 345.487 1.568 20 0 EDADLP CCCN1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000639607321 451972088 /nfs/dbraw/zinc/97/20/88/451972088.db2.gz UNNPVMYGIATBJR-HXUWFJFHSA-N 2 2 345.487 1.568 20 0 EDADLP CCCN1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000639607321 451972093 /nfs/dbraw/zinc/97/20/93/451972093.db2.gz UNNPVMYGIATBJR-HXUWFJFHSA-N 2 2 345.487 1.568 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000642857557 451974204 /nfs/dbraw/zinc/97/42/04/451974204.db2.gz RICOPCKGEVGSLL-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000642857557 451974209 /nfs/dbraw/zinc/97/42/09/451974209.db2.gz RICOPCKGEVGSLL-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1c(F)cccc1F ZINC000649321410 451999535 /nfs/dbraw/zinc/99/95/35/451999535.db2.gz WYLLQBQNBCIODX-DZKIICNBSA-N 2 2 339.386 1.022 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000643044206 452025182 /nfs/dbraw/zinc/02/51/82/452025182.db2.gz PBWVEWNAEAQZSR-CVEARBPZSA-N 2 2 331.464 1.529 20 0 EDADLP c1nc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(N2CCOCC2)[nH+]1 ZINC000643044206 452025183 /nfs/dbraw/zinc/02/51/83/452025183.db2.gz PBWVEWNAEAQZSR-CVEARBPZSA-N 2 2 331.464 1.529 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)[NH+]1CCOCC1 ZINC000649370097 452046535 /nfs/dbraw/zinc/04/65/35/452046535.db2.gz DIDUBNMTTXMSHP-IRXDYDNUSA-N 2 2 337.508 1.914 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000649410055 452074518 /nfs/dbraw/zinc/07/45/18/452074518.db2.gz KJIBOMBCMBMAAE-UHFFFAOYSA-N 2 2 329.326 1.801 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000649410055 452074523 /nfs/dbraw/zinc/07/45/23/452074523.db2.gz KJIBOMBCMBMAAE-UHFFFAOYSA-N 2 2 329.326 1.801 20 0 EDADLP CC1([NH3+])CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000649416096 452078541 /nfs/dbraw/zinc/07/85/41/452078541.db2.gz NYFTUADDMPYGKT-UHFFFAOYSA-N 2 2 346.475 1.271 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](Cc3nc([C@@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647149007 452091569 /nfs/dbraw/zinc/09/15/69/452091569.db2.gz BGDQHGJXMFETGN-HOTGVXAUSA-N 2 2 328.416 1.938 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](Cc3nc([C@@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647149007 452091577 /nfs/dbraw/zinc/09/15/77/452091577.db2.gz BGDQHGJXMFETGN-HOTGVXAUSA-N 2 2 328.416 1.938 20 0 EDADLP CC(C)(CO)[NH+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000643251228 452095986 /nfs/dbraw/zinc/09/59/86/452095986.db2.gz MOSILWZIWWKJIC-UHFFFAOYSA-N 2 2 347.503 1.407 20 0 EDADLP c1ncn([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)n1 ZINC000643252180 452097621 /nfs/dbraw/zinc/09/76/21/452097621.db2.gz HZFWFWSUUYIEBV-SFHVURJKSA-N 2 2 327.432 1.557 20 0 EDADLP c1ncn([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)n1 ZINC000643252180 452097626 /nfs/dbraw/zinc/09/76/26/452097626.db2.gz HZFWFWSUUYIEBV-SFHVURJKSA-N 2 2 327.432 1.557 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763001 452102747 /nfs/dbraw/zinc/10/27/47/452102747.db2.gz BNYWKWGGIHXUFF-MJGOQNOKSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763001 452102753 /nfs/dbraw/zinc/10/27/53/452102753.db2.gz BNYWKWGGIHXUFF-MJGOQNOKSA-N 2 2 336.476 1.432 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763379 452103251 /nfs/dbraw/zinc/10/32/51/452103251.db2.gz COTGFZGUCOTNMJ-LPHOPBHVSA-N 2 2 333.476 1.595 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763379 452103259 /nfs/dbraw/zinc/10/32/59/452103259.db2.gz COTGFZGUCOTNMJ-LPHOPBHVSA-N 2 2 333.476 1.595 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764487 452105059 /nfs/dbraw/zinc/10/50/59/452105059.db2.gz VUEQLVOYABEWBF-KDOFPFPSSA-N 2 2 337.439 1.219 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764487 452105065 /nfs/dbraw/zinc/10/50/65/452105065.db2.gz VUEQLVOYABEWBF-KDOFPFPSSA-N 2 2 337.439 1.219 20 0 EDADLP Cc1cncc(CC[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC000649513680 452116982 /nfs/dbraw/zinc/11/69/82/452116982.db2.gz ROZYGKSVRTZCFO-IBGZPJMESA-N 2 2 347.507 1.054 20 0 EDADLP Cc1cncc(CC[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1 ZINC000649513680 452116984 /nfs/dbraw/zinc/11/69/84/452116984.db2.gz ROZYGKSVRTZCFO-IBGZPJMESA-N 2 2 347.507 1.054 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cn2)CC1 ZINC000649520428 452122560 /nfs/dbraw/zinc/12/25/60/452122560.db2.gz NQURTSYCKQTKDB-UHFFFAOYSA-N 2 2 326.448 1.266 20 0 EDADLP C[N@@H+]1CCC[C@H]1CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000649530228 452128158 /nfs/dbraw/zinc/12/81/58/452128158.db2.gz OLFZDKFVRFBMSE-OALUTQOASA-N 2 2 342.487 1.504 20 0 EDADLP C[N@H+]1CCC[C@H]1CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000649530228 452128164 /nfs/dbraw/zinc/12/81/64/452128164.db2.gz OLFZDKFVRFBMSE-OALUTQOASA-N 2 2 342.487 1.504 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2nncn2C)CC1 ZINC000653824048 452133426 /nfs/dbraw/zinc/13/34/26/452133426.db2.gz RKFNHIAQLHVTGE-UHFFFAOYSA-N 2 2 337.431 1.631 20 0 EDADLP O=S1(=O)C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)Oc2ccccc21 ZINC000647223621 452133663 /nfs/dbraw/zinc/13/36/63/452133663.db2.gz HAVTXOMGSNDFGG-ILXRZTDVSA-N 2 2 336.457 1.438 20 0 EDADLP O=S1(=O)C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)Oc2ccccc21 ZINC000647223621 452133670 /nfs/dbraw/zinc/13/36/70/452133670.db2.gz HAVTXOMGSNDFGG-ILXRZTDVSA-N 2 2 336.457 1.438 20 0 EDADLP CCC[N@H+](CC(=O)NC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637963773 452210153 /nfs/dbraw/zinc/21/01/53/452210153.db2.gz CEWHJKHVJUFPSC-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP CCC[N@@H+](CC(=O)NC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637963773 452210160 /nfs/dbraw/zinc/21/01/60/452210160.db2.gz CEWHJKHVJUFPSC-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP Fc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c(F)c1 ZINC000643462937 452234636 /nfs/dbraw/zinc/23/46/36/452234636.db2.gz OMVNMLDYBPXTKU-WBAXXEDZSA-N 2 2 337.414 1.900 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000637994499 452236800 /nfs/dbraw/zinc/23/68/00/452236800.db2.gz ZFGBLARUMJOIDR-INIZCTEOSA-N 2 2 332.448 1.274 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000643481368 452246118 /nfs/dbraw/zinc/24/61/18/452246118.db2.gz XGZFWTGXRAWVGM-YOEHRIQHSA-N 2 2 337.489 1.847 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000665697863 452256358 /nfs/dbraw/zinc/25/63/58/452256358.db2.gz UUEMOCLCJLCEFI-LSDHHAIUSA-N 2 2 333.480 1.651 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000665697863 452256365 /nfs/dbraw/zinc/25/63/65/452256365.db2.gz UUEMOCLCJLCEFI-LSDHHAIUSA-N 2 2 333.480 1.651 20 0 EDADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786224 452259136 /nfs/dbraw/zinc/25/91/36/452259136.db2.gz JMPBNROMUCOQEU-RDJZCZTQSA-N 2 2 335.496 1.176 20 0 EDADLP CSc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC000641786894 452260237 /nfs/dbraw/zinc/26/02/37/452260237.db2.gz JNPYABZRJQTYJA-HNNXBMFYSA-N 2 2 339.505 1.888 20 0 EDADLP [NH3+]C1(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCC1 ZINC000645288288 452267077 /nfs/dbraw/zinc/26/70/77/452267077.db2.gz NSEQNGBEPDTVBX-UHFFFAOYSA-N 2 2 344.459 1.477 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000641788388 452267449 /nfs/dbraw/zinc/26/74/49/452267449.db2.gz ZJGIXTGYPILPPM-XDNAFOTISA-N 2 2 325.497 1.329 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000659428932 452270887 /nfs/dbraw/zinc/27/08/87/452270887.db2.gz KJGMDRIGXONLLN-URSIVYNOSA-N 2 2 344.459 1.193 20 0 EDADLP O=C(NCC12CC(C1)C[NH2+]2)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000659429909 452275302 /nfs/dbraw/zinc/27/53/02/452275302.db2.gz YWYUDQRERYFISI-URSIVYNOSA-N 2 2 344.459 1.111 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2[nH+]1 ZINC000657535721 452319115 /nfs/dbraw/zinc/31/91/15/452319115.db2.gz QAOBTUNLXLEMAF-HUUCEWRRSA-N 2 2 341.415 1.324 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2[nH+]1 ZINC000657535721 452319124 /nfs/dbraw/zinc/31/91/24/452319124.db2.gz QAOBTUNLXLEMAF-HUUCEWRRSA-N 2 2 341.415 1.324 20 0 EDADLP O=C(N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000643596800 452319397 /nfs/dbraw/zinc/31/93/97/452319397.db2.gz XISFOUILJOPDRY-VCBZYWHSSA-N 2 2 342.443 1.414 20 0 EDADLP CO[C@H](C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CCOC1 ZINC000657540237 452323506 /nfs/dbraw/zinc/32/35/06/452323506.db2.gz FRRLCMDZYOOKMH-ZWKOTPCHSA-N 2 2 340.508 1.910 20 0 EDADLP CC[NH2+][C@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000638054835 452337935 /nfs/dbraw/zinc/33/79/35/452337935.db2.gz FLTFDBUZJYKMHF-WBMJQRKESA-N 2 2 346.431 1.641 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000641874450 452338124 /nfs/dbraw/zinc/33/81/24/452338124.db2.gz NCEJHHCBMDUXLF-OKZBNKHCSA-N 2 2 346.475 1.152 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000641874450 452338137 /nfs/dbraw/zinc/33/81/37/452338137.db2.gz NCEJHHCBMDUXLF-OKZBNKHCSA-N 2 2 346.475 1.152 20 0 EDADLP CO[C@@H]1C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@](C)(CO)C1 ZINC000640007359 452344901 /nfs/dbraw/zinc/34/49/01/452344901.db2.gz DKOGZSLMRXCCJT-TXPKVOOTSA-N 2 2 347.459 1.486 20 0 EDADLP CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@](C)(CO)C1 ZINC000640007359 452344914 /nfs/dbraw/zinc/34/49/14/452344914.db2.gz DKOGZSLMRXCCJT-TXPKVOOTSA-N 2 2 347.459 1.486 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659494193 452357980 /nfs/dbraw/zinc/35/79/80/452357980.db2.gz NCDJFRZHTATCLW-CABCVRRESA-N 2 2 331.464 1.688 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659494193 452357986 /nfs/dbraw/zinc/35/79/86/452357986.db2.gz NCDJFRZHTATCLW-CABCVRRESA-N 2 2 331.464 1.688 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659495032 452358151 /nfs/dbraw/zinc/35/81/51/452358151.db2.gz ZMERVNXOSPEROK-HDMKZQKVSA-N 2 2 339.443 1.712 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659495032 452358161 /nfs/dbraw/zinc/35/81/61/452358161.db2.gz ZMERVNXOSPEROK-HDMKZQKVSA-N 2 2 339.443 1.712 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CCC3C[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000638062488 452358780 /nfs/dbraw/zinc/35/87/80/452358780.db2.gz SVAUZXFKNGVQHL-ZIAGYGMSSA-N 2 2 332.448 1.311 20 0 EDADLP CC[C@@]1(O)CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000640032413 452368044 /nfs/dbraw/zinc/36/80/44/452368044.db2.gz DXUWKHNUWJSIFH-VQIMIIECSA-N 2 2 346.475 1.356 20 0 EDADLP CC[C@@]1(O)CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000640032413 452368051 /nfs/dbraw/zinc/36/80/51/452368051.db2.gz DXUWKHNUWJSIFH-VQIMIIECSA-N 2 2 346.475 1.356 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCC[C@@H]3O)C2)CC1 ZINC000655551738 452368335 /nfs/dbraw/zinc/36/83/35/452368335.db2.gz FKEJTVOPHWZSOD-INMHGKMJSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCC[C@@H]3O)C2)CC1 ZINC000655551738 452368342 /nfs/dbraw/zinc/36/83/42/452368342.db2.gz FKEJTVOPHWZSOD-INMHGKMJSA-N 2 2 338.496 1.005 20 0 EDADLP CN(C(=O)c1c[nH]nc1C(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398443 452371687 /nfs/dbraw/zinc/37/16/87/452371687.db2.gz IFLSMWBRKKTVPC-OAHLLOKOSA-N 2 2 347.507 1.948 20 0 EDADLP CN(C(=O)c1c[nH]nc1C(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398443 452371698 /nfs/dbraw/zinc/37/16/98/452371698.db2.gz IFLSMWBRKKTVPC-OAHLLOKOSA-N 2 2 347.507 1.948 20 0 EDADLP CC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000645407619 452379075 /nfs/dbraw/zinc/37/90/75/452379075.db2.gz KCOFEVLZDXGYJP-CQSZACIVSA-N 2 2 335.473 1.849 20 0 EDADLP CC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000645407619 452379084 /nfs/dbraw/zinc/37/90/84/452379084.db2.gz KCOFEVLZDXGYJP-CQSZACIVSA-N 2 2 335.473 1.849 20 0 EDADLP COCc1n[nH]c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000657607423 452388360 /nfs/dbraw/zinc/38/83/60/452388360.db2.gz FNZQMRQXCCRNDW-UHFFFAOYSA-N 2 2 345.447 1.716 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC[N@@H+]3CCCOCC3)cn21 ZINC000645421803 452392862 /nfs/dbraw/zinc/39/28/62/452392862.db2.gz WZXNXCUOMOVRKS-UHFFFAOYSA-N 2 2 345.447 1.207 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC[N@H+]3CCCOCC3)cn21 ZINC000645421803 452392869 /nfs/dbraw/zinc/39/28/69/452392869.db2.gz WZXNXCUOMOVRKS-UHFFFAOYSA-N 2 2 345.447 1.207 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC000657650469 452418815 /nfs/dbraw/zinc/41/88/15/452418815.db2.gz CJHBNPOHYJVUFU-CYBMUJFWSA-N 2 2 329.404 1.039 20 0 EDADLP C[NH+](C)CC[C@](C)(O)CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000640130657 452452759 /nfs/dbraw/zinc/45/27/59/452452759.db2.gz GCUNKQMKDXUXDD-AAEUAGOBSA-N 2 2 336.358 1.196 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000655633840 452458251 /nfs/dbraw/zinc/45/82/51/452458251.db2.gz AQEXDDRAHJSGQQ-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000655633840 452458258 /nfs/dbraw/zinc/45/82/58/452458258.db2.gz AQEXDDRAHJSGQQ-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP CCN(C[C@@H](C)OC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643717514 452516469 /nfs/dbraw/zinc/51/64/69/452516469.db2.gz PPQHHLADVBJVOA-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP CCN(C[C@@H](C)OC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643717514 452516474 /nfs/dbraw/zinc/51/64/74/452516474.db2.gz PPQHHLADVBJVOA-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)NCc1ccccc1 ZINC000655702184 452524779 /nfs/dbraw/zinc/52/47/79/452524779.db2.gz YVFXSLVQBREISQ-VQIMIIECSA-N 2 2 345.487 1.924 20 0 EDADLP COc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000655709150 452526855 /nfs/dbraw/zinc/52/68/55/452526855.db2.gz SQPHKGSSZQURBQ-IRXDYDNUSA-N 2 2 332.444 1.842 20 0 EDADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000652353987 452531645 /nfs/dbraw/zinc/53/16/45/452531645.db2.gz JVQXAWMZOUZUKG-RHSMWYFYSA-N 2 2 346.475 1.776 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000652353987 452531651 /nfs/dbraw/zinc/53/16/51/452531651.db2.gz JVQXAWMZOUZUKG-RHSMWYFYSA-N 2 2 346.475 1.776 20 0 EDADLP CCOc1ccc(NCc2cnc(N3CC[NH+](C)CC3)nc2)[nH+]c1C ZINC000657795579 452533286 /nfs/dbraw/zinc/53/32/86/452533286.db2.gz LSNCWXPIBUUOBR-UHFFFAOYSA-N 2 2 342.447 1.943 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C[C@H]1C[NH3+] ZINC000652357215 452534617 /nfs/dbraw/zinc/53/46/17/452534617.db2.gz BXEBVWKSRBJOPI-LISAXSMJSA-N 2 2 333.476 1.856 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)C[C@H]1C[NH3+] ZINC000652357215 452534627 /nfs/dbraw/zinc/53/46/27/452534627.db2.gz BXEBVWKSRBJOPI-LISAXSMJSA-N 2 2 333.476 1.856 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000652356792 452534692 /nfs/dbraw/zinc/53/46/92/452534692.db2.gz HZZDIXHFCNAATI-SJLPKXTDSA-N 2 2 349.475 1.387 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000652356792 452534702 /nfs/dbraw/zinc/53/47/02/452534702.db2.gz HZZDIXHFCNAATI-SJLPKXTDSA-N 2 2 349.475 1.387 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000652357854 452538294 /nfs/dbraw/zinc/53/82/94/452538294.db2.gz IAJJPZGKWQBVDU-XOKHGSTOSA-N 2 2 335.448 1.708 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)C[C@H]1C[NH3+] ZINC000652357854 452538300 /nfs/dbraw/zinc/53/83/00/452538300.db2.gz IAJJPZGKWQBVDU-XOKHGSTOSA-N 2 2 335.448 1.708 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NCCCOC2CCCCC2)C[C@H]1C[NH3+] ZINC000652357260 452538333 /nfs/dbraw/zinc/53/83/33/452538333.db2.gz GCDCSOIHWNGFNI-NVXWUHKLSA-N 2 2 341.496 1.138 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCCOC2CCCCC2)C[C@H]1C[NH3+] ZINC000652357260 452538342 /nfs/dbraw/zinc/53/83/42/452538342.db2.gz GCDCSOIHWNGFNI-NVXWUHKLSA-N 2 2 341.496 1.138 20 0 EDADLP CCOC1CCC([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000657831818 452556300 /nfs/dbraw/zinc/55/63/00/452556300.db2.gz CCYYALNOLJUVFU-UHFFFAOYSA-N 2 2 347.507 1.926 20 0 EDADLP c1csc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)n1 ZINC000655763589 452565284 /nfs/dbraw/zinc/56/52/84/452565284.db2.gz QWTITLDMXOGLFH-MRXNPFEDSA-N 2 2 336.505 1.955 20 0 EDADLP O=C1Nc2ccccc2CC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655791316 452583393 /nfs/dbraw/zinc/58/33/93/452583393.db2.gz MAVJFOXSWWNUNC-FUHWJXTLSA-N 2 2 329.444 1.783 20 0 EDADLP Cc1cc(CO)cc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)[nH+]1 ZINC000647856244 452588969 /nfs/dbraw/zinc/58/89/69/452588969.db2.gz VGILQFUMDJLTFL-UHFFFAOYSA-N 2 2 344.434 2.256 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)[nH+]c12 ZINC000652403398 452595223 /nfs/dbraw/zinc/59/52/23/452595223.db2.gz ZHMLLCKEDBCGFM-ZBFHGGJFSA-N 2 2 327.432 1.531 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)[nH+]c12 ZINC000652403398 452595234 /nfs/dbraw/zinc/59/52/34/452595234.db2.gz ZHMLLCKEDBCGFM-ZBFHGGJFSA-N 2 2 327.432 1.531 20 0 EDADLP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647862253 452596577 /nfs/dbraw/zinc/59/65/77/452596577.db2.gz OEVHQKOUXAOYMT-NHYWBVRUSA-N 2 2 341.839 1.725 20 0 EDADLP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647862253 452596585 /nfs/dbraw/zinc/59/65/85/452596585.db2.gz OEVHQKOUXAOYMT-NHYWBVRUSA-N 2 2 341.839 1.725 20 0 EDADLP O=C(c1ccccc1OC(F)F)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874779 452614639 /nfs/dbraw/zinc/61/46/39/452614639.db2.gz XSPLZJLWCWWDEJ-CYBMUJFWSA-N 2 2 339.386 1.655 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCC2([NH3+])CCCC2)c1C ZINC000659733221 452629191 /nfs/dbraw/zinc/62/91/91/452629191.db2.gz QZTINBAAISWUKU-UHFFFAOYSA-N 2 2 348.447 1.053 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)C1CC1 ZINC000663920243 452644483 /nfs/dbraw/zinc/64/44/83/452644483.db2.gz CDAUBPQNYMHOJJ-AWEZNQCLSA-N 2 2 337.468 1.263 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)C1CC1 ZINC000663920243 452644490 /nfs/dbraw/zinc/64/44/90/452644490.db2.gz CDAUBPQNYMHOJJ-AWEZNQCLSA-N 2 2 337.468 1.263 20 0 EDADLP CC[N@H+](CCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)C1CCCCC1 ZINC000650281733 452658722 /nfs/dbraw/zinc/65/87/22/452658722.db2.gz NYZSTEHPEMCXMX-INIZCTEOSA-N 2 2 347.463 1.917 20 0 EDADLP CC[N@@H+](CCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)C1CCCCC1 ZINC000650281733 452658726 /nfs/dbraw/zinc/65/87/26/452658726.db2.gz NYZSTEHPEMCXMX-INIZCTEOSA-N 2 2 347.463 1.917 20 0 EDADLP CC[N@H+](CCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)C1CCCCC1 ZINC000650281733 452658731 /nfs/dbraw/zinc/65/87/31/452658731.db2.gz NYZSTEHPEMCXMX-INIZCTEOSA-N 2 2 347.463 1.917 20 0 EDADLP CC[N@@H+](CCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)C1CCCCC1 ZINC000650281733 452658736 /nfs/dbraw/zinc/65/87/36/452658736.db2.gz NYZSTEHPEMCXMX-INIZCTEOSA-N 2 2 347.463 1.917 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)CN1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000647933314 452673180 /nfs/dbraw/zinc/67/31/80/452673180.db2.gz JWHUPWHDFZPPFX-QGZVFWFLSA-N 2 2 327.432 1.187 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000647936493 452677023 /nfs/dbraw/zinc/67/70/23/452677023.db2.gz GGOSAVPKQVUWQZ-VVLHAWIVSA-N 2 2 325.497 1.757 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000647936493 452677034 /nfs/dbraw/zinc/67/70/34/452677034.db2.gz GGOSAVPKQVUWQZ-VVLHAWIVSA-N 2 2 325.497 1.757 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647956600 452699146 /nfs/dbraw/zinc/69/91/46/452699146.db2.gz PGRCBPOXUOWRPO-ZIFCJYIRSA-N 2 2 337.508 1.773 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647956600 452699157 /nfs/dbraw/zinc/69/91/57/452699157.db2.gz PGRCBPOXUOWRPO-ZIFCJYIRSA-N 2 2 337.508 1.773 20 0 EDADLP Cc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000666238415 452707894 /nfs/dbraw/zinc/70/78/94/452707894.db2.gz KBLGQDYFEQIPPL-UHFFFAOYSA-N 2 2 329.366 1.877 20 0 EDADLP CN1c2ccccc2C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000658108130 452728600 /nfs/dbraw/zinc/72/86/00/452728600.db2.gz PKJNBWXLGZYNMC-IAGOWNOFSA-N 2 2 329.444 1.417 20 0 EDADLP Cc1cc(C)cc(OCC(=O)N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647990925 452734012 /nfs/dbraw/zinc/73/40/12/452734012.db2.gz VLPRVSUBCSYRSQ-QGZVFWFLSA-N 2 2 331.460 1.436 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000643882739 452790668 /nfs/dbraw/zinc/79/06/68/452790668.db2.gz YQZGJZWFJZNXEU-INIZCTEOSA-N 2 2 344.484 1.791 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCO1 ZINC000654679410 452798638 /nfs/dbraw/zinc/79/86/38/452798638.db2.gz ROLVAESQJQCNQO-GDBMZVCRSA-N 2 2 341.521 1.041 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCO1 ZINC000654679410 452798641 /nfs/dbraw/zinc/79/86/41/452798641.db2.gz ROLVAESQJQCNQO-GDBMZVCRSA-N 2 2 341.521 1.041 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000664138084 452817636 /nfs/dbraw/zinc/81/76/36/452817636.db2.gz HPYSNJYGZHNAPT-HUUCEWRRSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000664138084 452817644 /nfs/dbraw/zinc/81/76/44/452817644.db2.gz HPYSNJYGZHNAPT-HUUCEWRRSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658343489 452855441 /nfs/dbraw/zinc/85/54/41/452855441.db2.gz LNGFFBABRVDTGS-FUHWJXTLSA-N 2 2 332.492 1.259 20 0 EDADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658343489 452855454 /nfs/dbraw/zinc/85/54/54/452855454.db2.gz LNGFFBABRVDTGS-FUHWJXTLSA-N 2 2 332.492 1.259 20 0 EDADLP COc1c(N)[nH+]cnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000656111859 452869816 /nfs/dbraw/zinc/86/98/16/452869816.db2.gz KPJFNBLFLATBIO-UHFFFAOYSA-N 2 2 349.357 1.158 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000650673564 452922466 /nfs/dbraw/zinc/92/24/66/452922466.db2.gz CXJQHOIDDTXVQC-UHFFFAOYSA-N 2 2 333.480 1.889 20 0 EDADLP CO[C@]1(C)C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664281163 452963054 /nfs/dbraw/zinc/96/30/54/452963054.db2.gz NCIBBSFMBUKILZ-RHSMWYFYSA-N 2 2 328.501 1.373 20 0 EDADLP CO[C@]1(C)C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664281163 452963061 /nfs/dbraw/zinc/96/30/61/452963061.db2.gz NCIBBSFMBUKILZ-RHSMWYFYSA-N 2 2 328.501 1.373 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000660075989 452991640 /nfs/dbraw/zinc/99/16/40/452991640.db2.gz DQEDALFADMAGOV-AWEZNQCLSA-N 2 2 334.445 1.697 20 0 EDADLP CN(c1nc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cs1)C1CC1 ZINC000662266857 452995545 /nfs/dbraw/zinc/99/55/45/452995545.db2.gz PTUQFZHSWOSGGA-OAHLLOKOSA-N 2 2 349.504 1.138 20 0 EDADLP CN(c1nc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cs1)C1CC1 ZINC000662266857 452995555 /nfs/dbraw/zinc/99/55/55/452995555.db2.gz PTUQFZHSWOSGGA-OAHLLOKOSA-N 2 2 349.504 1.138 20 0 EDADLP CO[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648316174 452999300 /nfs/dbraw/zinc/99/93/00/452999300.db2.gz LGXLPPWYXOSLSJ-PKOBYXMFSA-N 2 2 345.487 1.529 20 0 EDADLP CO[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648316174 452999302 /nfs/dbraw/zinc/99/93/02/452999302.db2.gz LGXLPPWYXOSLSJ-PKOBYXMFSA-N 2 2 345.487 1.529 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2nncn2C)CC1 ZINC000656273176 453003362 /nfs/dbraw/zinc/00/33/62/453003362.db2.gz WLNDBKIHJIZWTP-UHFFFAOYSA-N 2 2 338.419 1.026 20 0 EDADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000666613848 453011804 /nfs/dbraw/zinc/01/18/04/453011804.db2.gz CHNCQNNAANXZGL-QGZVFWFLSA-N 2 2 333.476 1.949 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NCC2CCCCC2)CCO1 ZINC000662317545 453033735 /nfs/dbraw/zinc/03/37/35/453033735.db2.gz QROOHMWQAWJFEU-KRWDZBQOSA-N 2 2 325.497 1.726 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NCC2CCCCC2)CCO1 ZINC000662317545 453033745 /nfs/dbraw/zinc/03/37/45/453033745.db2.gz QROOHMWQAWJFEU-KRWDZBQOSA-N 2 2 325.497 1.726 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000660110560 453036182 /nfs/dbraw/zinc/03/61/82/453036182.db2.gz KVDMEADHUJUJAC-WMLDXEAASA-N 2 2 348.472 1.874 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000660110560 453036187 /nfs/dbraw/zinc/03/61/87/453036187.db2.gz KVDMEADHUJUJAC-WMLDXEAASA-N 2 2 348.472 1.874 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NCCCc2ccccc2)CCO1 ZINC000662319923 453038707 /nfs/dbraw/zinc/03/87/07/453038707.db2.gz QPONLIGVGPNPSJ-IBGZPJMESA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NCCCc2ccccc2)CCO1 ZINC000662319923 453038715 /nfs/dbraw/zinc/03/87/15/453038715.db2.gz QPONLIGVGPNPSJ-IBGZPJMESA-N 2 2 347.503 1.778 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)C2)C1 ZINC000644131023 453067460 /nfs/dbraw/zinc/06/74/60/453067460.db2.gz PWMMNYIBKNALAC-IBGZPJMESA-N 2 2 328.460 1.739 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)C2)C1 ZINC000644131023 453067469 /nfs/dbraw/zinc/06/74/69/453067469.db2.gz PWMMNYIBKNALAC-IBGZPJMESA-N 2 2 328.460 1.739 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000662366008 453076752 /nfs/dbraw/zinc/07/67/52/453076752.db2.gz YQHVFLHJOBNCKG-MRXNPFEDSA-N 2 2 332.448 1.204 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000658540448 453097391 /nfs/dbraw/zinc/09/73/91/453097391.db2.gz WYRIGNDWIGRKIF-UHFFFAOYSA-N 2 2 341.415 1.046 20 0 EDADLP CC(C)[NH2+]CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000662420680 453129704 /nfs/dbraw/zinc/12/97/04/453129704.db2.gz UJZCFJRTQDHIGS-UHFFFAOYSA-N 2 2 335.448 1.012 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000660262433 453161230 /nfs/dbraw/zinc/16/12/30/453161230.db2.gz HKDQHVKGPFBFCV-UHFFFAOYSA-N 2 2 343.431 1.584 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCCOC1 ZINC000650994371 453169693 /nfs/dbraw/zinc/16/96/93/453169693.db2.gz JPRPNQKYZFPZBR-INIZCTEOSA-N 2 2 326.485 1.223 20 0 EDADLP COc1cccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000664538774 453178714 /nfs/dbraw/zinc/17/87/14/453178714.db2.gz GTQFZPAHFWYAFY-UHFFFAOYSA-N 2 2 348.491 1.829 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646181454 453194747 /nfs/dbraw/zinc/19/47/47/453194747.db2.gz OEMQPWKUVNVGJW-UXLLHSPISA-N 2 2 334.464 1.312 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646181454 453194754 /nfs/dbraw/zinc/19/47/54/453194754.db2.gz OEMQPWKUVNVGJW-UXLLHSPISA-N 2 2 334.464 1.312 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(C)Cc2ccccc2C1 ZINC000664568684 453202355 /nfs/dbraw/zinc/20/23/55/453202355.db2.gz XGQGXYWOJDLXDP-UHFFFAOYSA-N 2 2 346.519 1.974 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(C)Cc2ccccc2C1 ZINC000664568684 453202357 /nfs/dbraw/zinc/20/23/57/453202357.db2.gz XGQGXYWOJDLXDP-UHFFFAOYSA-N 2 2 346.519 1.974 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000651029347 453204480 /nfs/dbraw/zinc/20/44/80/453204480.db2.gz NBTKKJNLIVQXGJ-DOTOQJQBSA-N 2 2 334.464 1.227 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000651029347 453204490 /nfs/dbraw/zinc/20/44/90/453204490.db2.gz NBTKKJNLIVQXGJ-DOTOQJQBSA-N 2 2 334.464 1.227 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660346720 453238624 /nfs/dbraw/zinc/23/86/24/453238624.db2.gz VLUOBHUZBFJVTL-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660346720 453238631 /nfs/dbraw/zinc/23/86/31/453238631.db2.gz VLUOBHUZBFJVTL-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1N1CCCC1=O ZINC000653062798 453238786 /nfs/dbraw/zinc/23/87/86/453238786.db2.gz KHNGECSEDPIJGW-ZDUSSCGKSA-N 2 2 334.420 1.040 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)cn21 ZINC000646234324 453244981 /nfs/dbraw/zinc/24/49/81/453244981.db2.gz JFNIMBACHMEBRM-HUUCEWRRSA-N 2 2 329.448 1.954 20 0 EDADLP Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)c(C)c1 ZINC000653071077 453249450 /nfs/dbraw/zinc/24/94/50/453249450.db2.gz VEUOLIDOXAKKDG-HNNXBMFYSA-N 2 2 334.464 1.288 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000653081972 453263128 /nfs/dbraw/zinc/26/31/28/453263128.db2.gz FCWQZPDQFQCEEQ-INIZCTEOSA-N 2 2 332.448 1.417 20 0 EDADLP O=C(NCC[NH+]1CCCCC1)NCc1ccc[nH+]c1N1CCCC1 ZINC000656540433 453263876 /nfs/dbraw/zinc/26/38/76/453263876.db2.gz IOUSXTAHHRUTSR-UHFFFAOYSA-N 2 2 331.464 1.967 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000653084013 453264929 /nfs/dbraw/zinc/26/49/29/453264929.db2.gz ROVKFCOBCSMVAC-FPMFFAJLSA-N 2 2 329.366 1.957 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000648782535 453266302 /nfs/dbraw/zinc/26/63/02/453266302.db2.gz NIVWNHVKDLJAMH-MRXNPFEDSA-N 2 2 349.523 1.786 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000648782535 453266310 /nfs/dbraw/zinc/26/63/10/453266310.db2.gz NIVWNHVKDLJAMH-MRXNPFEDSA-N 2 2 349.523 1.786 20 0 EDADLP Cn1ccnc1[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccc(F)c1 ZINC000653107121 453289189 /nfs/dbraw/zinc/28/91/89/453289189.db2.gz YOYHSPMCPUSVTH-LSDHHAIUSA-N 2 2 333.411 1.044 20 0 EDADLP Cn1ccnc1[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1F ZINC000653107133 453289683 /nfs/dbraw/zinc/28/96/83/453289683.db2.gz ZBRZNYYMJLMGQS-HUUCEWRRSA-N 2 2 333.411 1.044 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000653107061 453290317 /nfs/dbraw/zinc/29/03/17/453290317.db2.gz WCNGYLOWPRFZDN-MRXNPFEDSA-N 2 2 345.491 1.947 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000653108440 453291198 /nfs/dbraw/zinc/29/11/98/453291198.db2.gz XQDKQWMYGXAAHB-QGZVFWFLSA-N 3 2 336.455 1.185 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653124731 453317559 /nfs/dbraw/zinc/31/75/59/453317559.db2.gz FYGXRDBXHSAJCK-FHLIZLRMSA-N 2 2 328.460 1.817 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CCC[C@@H]([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000660472060 453330640 /nfs/dbraw/zinc/33/06/40/453330640.db2.gz BPNGAHMTBWPSLE-FGTMMUONSA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CCC[C@@H]([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000660472060 453330645 /nfs/dbraw/zinc/33/06/45/453330645.db2.gz BPNGAHMTBWPSLE-FGTMMUONSA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000660472060 453330649 /nfs/dbraw/zinc/33/06/49/453330649.db2.gz BPNGAHMTBWPSLE-FGTMMUONSA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1CN(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000660472060 453330659 /nfs/dbraw/zinc/33/06/59/453330659.db2.gz BPNGAHMTBWPSLE-FGTMMUONSA-N 2 2 325.497 1.282 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000648877691 453352907 /nfs/dbraw/zinc/35/29/07/453352907.db2.gz RIHPGRQJNWYMLR-CQSZACIVSA-N 2 2 344.463 1.915 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000667054530 453369908 /nfs/dbraw/zinc/36/99/08/453369908.db2.gz LYVASNWLJALDRA-AWEZNQCLSA-N 3 2 340.431 1.231 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662694804 453416598 /nfs/dbraw/zinc/41/65/98/453416598.db2.gz SYIOLWLYSAESIW-HNNXBMFYSA-N 2 2 327.350 1.660 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1cccc(Cl)c1 ZINC000655297506 453419190 /nfs/dbraw/zinc/41/91/90/453419190.db2.gz JQHMHTWCFPZPLQ-XHSDSOJGSA-N 2 2 337.851 1.220 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cccc(Cl)c1 ZINC000655297506 453419192 /nfs/dbraw/zinc/41/91/92/453419192.db2.gz JQHMHTWCFPZPLQ-XHSDSOJGSA-N 2 2 337.851 1.220 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCn1cnc3ccccc3c1=O)C2 ZINC000660659055 453496692 /nfs/dbraw/zinc/49/66/92/453496692.db2.gz JVJNFDFDFLFBKY-LJQANCHMSA-N 2 2 326.444 1.814 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCn1cnc3ccccc3c1=O)C2 ZINC000660659055 453496699 /nfs/dbraw/zinc/49/66/99/453496699.db2.gz JVJNFDFDFLFBKY-LJQANCHMSA-N 2 2 326.444 1.814 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCn1cnc3ccccc3c1=O)C2 ZINC000660659055 453496705 /nfs/dbraw/zinc/49/67/05/453496705.db2.gz JVJNFDFDFLFBKY-LJQANCHMSA-N 2 2 326.444 1.814 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCn1cnc3ccccc3c1=O)C2 ZINC000660659055 453496711 /nfs/dbraw/zinc/49/67/11/453496711.db2.gz JVJNFDFDFLFBKY-LJQANCHMSA-N 2 2 326.444 1.814 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H](C[NH3+])C4(C3)CCOCC4)ccn12 ZINC000662783666 453518353 /nfs/dbraw/zinc/51/83/53/453518353.db2.gz GKRJFCTUMFLLLV-HNNXBMFYSA-N 2 2 328.416 1.470 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)CC3([NH3+])CC3)CC2)c1 ZINC000662796507 453530893 /nfs/dbraw/zinc/53/08/93/453530893.db2.gz MUVFEGJNTYSXFE-UHFFFAOYSA-N 2 2 333.432 1.100 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664995374 453536765 /nfs/dbraw/zinc/53/67/65/453536765.db2.gz HLELHJPGPCXCAV-HNNXBMFYSA-N 2 2 335.452 1.299 20 0 EDADLP [NH3+][C@H]1C[C@H](C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)C1 ZINC000662822829 453552271 /nfs/dbraw/zinc/55/22/71/453552271.db2.gz RCDRGKCWXZZHJE-IYARVYRRSA-N 2 2 336.439 1.998 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c[nH+]1 ZINC000665062410 453561648 /nfs/dbraw/zinc/56/16/48/453561648.db2.gz DDBKPSDPKUZAGD-QGZVFWFLSA-N 2 2 334.464 1.951 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@H](C)CO1 ZINC000662860452 453574609 /nfs/dbraw/zinc/57/46/09/453574609.db2.gz RZEIKKICPZBKFZ-JMSVASOKSA-N 2 2 325.840 1.565 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@H](C)CO1 ZINC000662860452 453574615 /nfs/dbraw/zinc/57/46/15/453574615.db2.gz RZEIKKICPZBKFZ-JMSVASOKSA-N 2 2 325.840 1.565 20 0 EDADLP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899866 453593211 /nfs/dbraw/zinc/59/32/11/453593211.db2.gz HJMCPVLGCGUXQZ-MOPGFXCFSA-N 3 2 344.503 1.703 20 0 EDADLP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899866 453593215 /nfs/dbraw/zinc/59/32/15/453593215.db2.gz HJMCPVLGCGUXQZ-MOPGFXCFSA-N 3 2 344.503 1.703 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662939415 453615034 /nfs/dbraw/zinc/61/50/34/453615034.db2.gz FWUKDBLDCMUYTH-NXHRZFHOSA-N 2 2 332.492 1.292 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662939415 453615039 /nfs/dbraw/zinc/61/50/39/453615039.db2.gz FWUKDBLDCMUYTH-NXHRZFHOSA-N 2 2 332.492 1.292 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000665291406 453638150 /nfs/dbraw/zinc/63/81/50/453638150.db2.gz BFCABIXRXWIGPF-ZBFHGGJFSA-N 3 2 341.459 1.784 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000665291406 453638153 /nfs/dbraw/zinc/63/81/53/453638153.db2.gz BFCABIXRXWIGPF-ZBFHGGJFSA-N 3 2 341.459 1.784 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CCN(CCC(F)(F)F)CC2)n1 ZINC000665292568 453639171 /nfs/dbraw/zinc/63/91/71/453639171.db2.gz CSZUXHHDJNCHBJ-UHFFFAOYSA-N 2 2 333.358 1.147 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000665292568 453639173 /nfs/dbraw/zinc/63/91/73/453639173.db2.gz CSZUXHHDJNCHBJ-UHFFFAOYSA-N 3 2 333.358 1.147 20 0 EDADLP COc1cccc(SCC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000660910832 453644011 /nfs/dbraw/zinc/64/40/11/453644011.db2.gz BONSXZQQSYOHQP-UHFFFAOYSA-N 2 2 337.489 1.493 20 0 EDADLP COc1cccc(SCC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000660910832 453644014 /nfs/dbraw/zinc/64/40/14/453644014.db2.gz BONSXZQQSYOHQP-UHFFFAOYSA-N 2 2 337.489 1.493 20 0 EDADLP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000659293567 453705924 /nfs/dbraw/zinc/70/59/24/453705924.db2.gz VPGPQKPJUSOXNN-IEBWSBKVSA-N 2 2 343.471 1.934 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663235087 453741765 /nfs/dbraw/zinc/74/17/65/453741765.db2.gz YQBHJLSFYNRIPE-INIZCTEOSA-N 2 2 335.452 1.170 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(F)c1 ZINC000663303236 453763014 /nfs/dbraw/zinc/76/30/14/453763014.db2.gz COFLGFKXSBVPGJ-GUYCJALGSA-N 2 2 335.423 1.996 20 0 EDADLP Cc1c[nH]c(CNc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC000657323975 453766128 /nfs/dbraw/zinc/76/61/28/453766128.db2.gz KHWJNCAQEXLLFJ-UHFFFAOYSA-N 2 2 327.432 1.647 20 0 EDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000657370706 453776291 /nfs/dbraw/zinc/77/62/91/453776291.db2.gz DXUOSTFJQFEOQS-XLIONFOSSA-N 2 2 340.471 1.802 20 0 EDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000657370706 453776293 /nfs/dbraw/zinc/77/62/93/453776293.db2.gz DXUOSTFJQFEOQS-XLIONFOSSA-N 2 2 340.471 1.802 20 0 EDADLP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657388940 453779556 /nfs/dbraw/zinc/77/95/56/453779556.db2.gz QLFCOKDCKQYKJP-UHFFFAOYSA-N 3 2 347.507 1.546 20 0 EDADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000663363433 453780126 /nfs/dbraw/zinc/78/01/26/453780126.db2.gz ADTMLGAHLUQBDR-JKSUJKDBSA-N 2 2 347.459 1.385 20 0 EDADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000663363433 453780128 /nfs/dbraw/zinc/78/01/28/453780128.db2.gz ADTMLGAHLUQBDR-JKSUJKDBSA-N 2 2 347.459 1.385 20 0 EDADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657398478 453781457 /nfs/dbraw/zinc/78/14/57/453781457.db2.gz BIQFIKVQXFRXMO-ZWKOTPCHSA-N 2 2 333.480 1.861 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)C(C)C ZINC000663421274 453793556 /nfs/dbraw/zinc/79/35/56/453793556.db2.gz YHHBUCAIRSGLBK-HOTGVXAUSA-N 2 2 328.501 1.514 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)C(C)C ZINC000663421274 453793557 /nfs/dbraw/zinc/79/35/57/453793557.db2.gz YHHBUCAIRSGLBK-HOTGVXAUSA-N 2 2 328.501 1.514 20 0 EDADLP Cc1nc(NC[C@H](C)N2CC[NH+](C)CC2)c(Br)c(C)[nH+]1 ZINC000663529568 453816509 /nfs/dbraw/zinc/81/65/09/453816509.db2.gz RRHOMWSXLGOMAM-JTQLQIEISA-N 2 2 342.285 1.904 20 0 EDADLP CCN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000663537480 453818085 /nfs/dbraw/zinc/81/80/85/453818085.db2.gz CSWIRDDCJUXVQH-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CCN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000663537480 453818087 /nfs/dbraw/zinc/81/80/87/453818087.db2.gz CSWIRDDCJUXVQH-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000676194538 486687194 /nfs/dbraw/zinc/68/71/94/486687194.db2.gz NXRVGBGDCPJCPR-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000676194538 486687196 /nfs/dbraw/zinc/68/71/96/486687196.db2.gz NXRVGBGDCPJCPR-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000676235866 486699940 /nfs/dbraw/zinc/69/99/40/486699940.db2.gz SIWBPONELQSFCM-SFHVURJKSA-N 2 2 343.471 1.753 20 0 EDADLP COC1CC[NH+](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000683391695 486705006 /nfs/dbraw/zinc/70/50/06/486705006.db2.gz OMUKUMQOYDORTR-OAHLLOKOSA-N 2 2 349.479 1.351 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000683407203 486709639 /nfs/dbraw/zinc/70/96/39/486709639.db2.gz JYOJPFLVHDMJRB-UHFFFAOYSA-N 2 2 342.403 1.254 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000676342448 486740966 /nfs/dbraw/zinc/74/09/66/486740966.db2.gz PBDLIXDOUNTMRE-HNNXBMFYSA-N 2 2 335.448 1.668 20 0 EDADLP Cc1ccnc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000671760342 486744223 /nfs/dbraw/zinc/74/42/23/486744223.db2.gz YBQBSCXKTRKFFS-HUUCEWRRSA-N 2 2 327.432 1.965 20 0 EDADLP c1cc(CN2CC[NH+](Cc3ccccn3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667491411 486808298 /nfs/dbraw/zinc/80/82/98/486808298.db2.gz PYMLBRZFLISQDU-UHFFFAOYSA-N 2 2 334.427 1.980 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000671366237 486840576 /nfs/dbraw/zinc/84/05/76/486840576.db2.gz UJFHZNWOIVVEQZ-RHSMWYFYSA-N 2 2 346.475 1.136 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000671366237 486840578 /nfs/dbraw/zinc/84/05/78/486840578.db2.gz UJFHZNWOIVVEQZ-RHSMWYFYSA-N 2 2 346.475 1.136 20 0 EDADLP CN(C(=O)Cn1cc(Cl)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673002083 486872345 /nfs/dbraw/zinc/87/23/45/486872345.db2.gz ZQDCSVCMOMRYSX-HNNXBMFYSA-N 2 2 339.871 1.163 20 0 EDADLP CN(C(=O)Cn1cc(Cl)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673002083 486872348 /nfs/dbraw/zinc/87/23/48/486872348.db2.gz ZQDCSVCMOMRYSX-HNNXBMFYSA-N 2 2 339.871 1.163 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000676841576 486899110 /nfs/dbraw/zinc/89/91/10/486899110.db2.gz KGPXHCATKGVXMA-AWEZNQCLSA-N 3 2 340.431 1.231 20 0 EDADLP COC[C@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H]1CCCO1 ZINC000684008122 486909808 /nfs/dbraw/zinc/90/98/08/486909808.db2.gz POXUQMQUWVOKGX-IEZWGBDMSA-N 2 2 347.459 1.798 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684179274 486970951 /nfs/dbraw/zinc/97/09/51/486970951.db2.gz PGTDUXPHMJYMPW-GOEBONIOSA-N 2 2 330.407 1.989 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000681211238 486975548 /nfs/dbraw/zinc/97/55/48/486975548.db2.gz HACSIHQIYGYLIN-MRXNPFEDSA-N 2 2 335.452 1.293 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000681211238 486975550 /nfs/dbraw/zinc/97/55/50/486975550.db2.gz HACSIHQIYGYLIN-MRXNPFEDSA-N 2 2 335.452 1.293 20 0 EDADLP CN(C(=O)N[C@H]1CC[C@H](O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681218411 486976142 /nfs/dbraw/zinc/97/61/42/486976142.db2.gz YSVVHAVHMATZJF-DJIMGWMZSA-N 2 2 338.496 1.100 20 0 EDADLP CN(C(=O)N[C@H]1CC[C@H](O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681218411 486976146 /nfs/dbraw/zinc/97/61/46/486976146.db2.gz YSVVHAVHMATZJF-DJIMGWMZSA-N 2 2 338.496 1.100 20 0 EDADLP CN(C(=O)N[C@H]1CCCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217585 486977449 /nfs/dbraw/zinc/97/74/49/486977449.db2.gz RMUNIUHDBFVLTM-HOCLYGCPSA-N 2 2 340.537 1.692 20 0 EDADLP CN(C(=O)N[C@H]1CCCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217585 486977452 /nfs/dbraw/zinc/97/74/52/486977452.db2.gz RMUNIUHDBFVLTM-HOCLYGCPSA-N 2 2 340.537 1.692 20 0 EDADLP COCc1nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(OC)n1 ZINC000681229537 486982155 /nfs/dbraw/zinc/98/21/55/486982155.db2.gz LZKBQWPLBLHYBG-UHFFFAOYSA-N 2 2 349.479 1.602 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)C1 ZINC000684434940 487058425 /nfs/dbraw/zinc/05/84/25/487058425.db2.gz NDWWQSKNJAHUII-OAHLLOKOSA-N 2 2 330.432 1.722 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)C1 ZINC000684434940 487058431 /nfs/dbraw/zinc/05/84/31/487058431.db2.gz NDWWQSKNJAHUII-OAHLLOKOSA-N 2 2 330.432 1.722 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)o1 ZINC000684482400 487074305 /nfs/dbraw/zinc/07/43/05/487074305.db2.gz QDUHDBJCLBKVOR-CABCVRRESA-N 2 2 337.464 1.649 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)o1 ZINC000684482400 487074312 /nfs/dbraw/zinc/07/43/12/487074312.db2.gz QDUHDBJCLBKVOR-CABCVRRESA-N 2 2 337.464 1.649 20 0 EDADLP CN(C(=O)c1ccc2n[nH]cc2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673741420 487104140 /nfs/dbraw/zinc/10/41/40/487104140.db2.gz YHAHLDMZVCWLAP-QGZVFWFLSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1ccc2n[nH]cc2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673741420 487104145 /nfs/dbraw/zinc/10/41/45/487104145.db2.gz YHAHLDMZVCWLAP-QGZVFWFLSA-N 2 2 341.459 1.803 20 0 EDADLP Cc1nccnc1N1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668102439 487099738 /nfs/dbraw/zinc/09/97/38/487099738.db2.gz QBHBYKZLDBWURV-UHFFFAOYSA-N 2 2 335.415 1.688 20 0 EDADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCn1cc[nH+]c1C ZINC000677984307 487220405 /nfs/dbraw/zinc/22/04/05/487220405.db2.gz SCRDURIUVLVYDR-QGZVFWFLSA-N 2 2 338.415 1.321 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000678119938 487252134 /nfs/dbraw/zinc/25/21/34/487252134.db2.gz GSQKYIFOTHOGQV-OAHLLOKOSA-N 2 2 326.462 1.246 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000678119938 487252135 /nfs/dbraw/zinc/25/21/35/487252135.db2.gz GSQKYIFOTHOGQV-OAHLLOKOSA-N 2 2 326.462 1.246 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2[nH]cnc2c1 ZINC000678252588 487274446 /nfs/dbraw/zinc/27/44/46/487274446.db2.gz AUPFESDTJPMWRZ-RDJZCZTQSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2[nH]cnc2c1 ZINC000678252588 487274448 /nfs/dbraw/zinc/27/44/48/487274448.db2.gz AUPFESDTJPMWRZ-RDJZCZTQSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC000678252588 487274450 /nfs/dbraw/zinc/27/44/50/487274450.db2.gz AUPFESDTJPMWRZ-RDJZCZTQSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000678252588 487274452 /nfs/dbraw/zinc/27/44/52/487274452.db2.gz AUPFESDTJPMWRZ-RDJZCZTQSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC000678252588 487274454 /nfs/dbraw/zinc/27/44/54/487274454.db2.gz AUPFESDTJPMWRZ-RDJZCZTQSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2nc[nH]c2c1 ZINC000678252588 487274456 /nfs/dbraw/zinc/27/44/56/487274456.db2.gz AUPFESDTJPMWRZ-RDJZCZTQSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000678252588 487274457 /nfs/dbraw/zinc/27/44/57/487274457.db2.gz AUPFESDTJPMWRZ-RDJZCZTQSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000678252588 487274459 /nfs/dbraw/zinc/27/44/59/487274459.db2.gz AUPFESDTJPMWRZ-RDJZCZTQSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)[C@H](C)O1 ZINC000682091011 487300800 /nfs/dbraw/zinc/30/08/00/487300800.db2.gz SNPWCYIBXITDOP-LVQVYYBASA-N 2 2 338.496 1.362 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)[C@H](C)O1 ZINC000682091011 487300803 /nfs/dbraw/zinc/30/08/03/487300803.db2.gz SNPWCYIBXITDOP-LVQVYYBASA-N 2 2 338.496 1.362 20 0 EDADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000678592295 487340054 /nfs/dbraw/zinc/34/00/54/487340054.db2.gz PEZHZIFLAFKZHM-IAGOWNOFSA-N 2 2 346.475 1.282 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000674877463 487344205 /nfs/dbraw/zinc/34/42/05/487344205.db2.gz SOOJHSLIDCZLNO-LSDHHAIUSA-N 2 2 337.489 1.481 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000675193219 487386946 /nfs/dbraw/zinc/38/69/46/487386946.db2.gz FUYKGCQUHXVTTR-SFHVURJKSA-N 2 2 345.491 1.783 20 0 EDADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000679092349 487391215 /nfs/dbraw/zinc/39/12/15/487391215.db2.gz RGYWBHGLHAELJZ-WMLDXEAASA-N 2 2 343.537 1.509 20 0 EDADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000679092349 487391218 /nfs/dbraw/zinc/39/12/18/487391218.db2.gz RGYWBHGLHAELJZ-WMLDXEAASA-N 2 2 343.537 1.509 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000675963707 487461920 /nfs/dbraw/zinc/46/19/20/487461920.db2.gz SWNHCRKCUSNGNZ-QGZVFWFLSA-N 2 2 334.439 1.747 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000675963707 487461922 /nfs/dbraw/zinc/46/19/22/487461922.db2.gz SWNHCRKCUSNGNZ-QGZVFWFLSA-N 2 2 334.439 1.747 20 0 EDADLP CC[C@@H]1CN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[C@H]1[NH3+] ZINC000669512046 485477200 /nfs/dbraw/zinc/47/72/00/485477200.db2.gz TUSKCMQLRALMOD-GDBMZVCRSA-N 2 2 329.448 1.954 20 0 EDADLP Cc1ccc(OC(F)F)c(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000669526658 485500490 /nfs/dbraw/zinc/50/04/90/485500490.db2.gz KPGOLDFDEYWJPZ-CYBMUJFWSA-N 2 2 342.390 1.381 20 0 EDADLP Cc1ccc(OC(F)F)c(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000669526658 485500497 /nfs/dbraw/zinc/50/04/97/485500497.db2.gz KPGOLDFDEYWJPZ-CYBMUJFWSA-N 2 2 342.390 1.381 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000669547551 485538630 /nfs/dbraw/zinc/53/86/30/485538630.db2.gz AJMUWRNWCRMHPP-HZPDHXFCSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000669547551 485538637 /nfs/dbraw/zinc/53/86/37/485538637.db2.gz AJMUWRNWCRMHPP-HZPDHXFCSA-N 2 2 338.402 1.761 20 0 EDADLP CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669550078 485542079 /nfs/dbraw/zinc/54/20/79/485542079.db2.gz UGPGTOOBAPKYQN-RCBQFDQVSA-N 2 2 338.427 1.186 20 0 EDADLP CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669550078 485542085 /nfs/dbraw/zinc/54/20/85/485542085.db2.gz UGPGTOOBAPKYQN-RCBQFDQVSA-N 2 2 338.427 1.186 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669024564 485573929 /nfs/dbraw/zinc/57/39/29/485573929.db2.gz ZZMGENRYRIPIJV-CVEARBPZSA-N 2 2 329.448 1.575 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CC(C)C)[NH+]2CCOCC2)cc1 ZINC000236722733 485935156 /nfs/dbraw/zinc/93/51/56/485935156.db2.gz KNYQQPGVLZVLON-MSOLQXFVSA-N 2 2 333.476 1.858 20 0 EDADLP C[C@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CC[NH+](C)CC1 ZINC000672009934 486053475 /nfs/dbraw/zinc/05/34/75/486053475.db2.gz KPIFOTXSRCCKCX-ZFWWWQNUSA-N 2 2 347.463 1.310 20 0 EDADLP c1c(Cc2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)[nH+]c2n1CCCC2 ZINC000351438592 486082445 /nfs/dbraw/zinc/08/24/45/486082445.db2.gz XPUDZCZLKGOHPO-KBPBESRZSA-N 2 2 329.404 1.729 20 0 EDADLP c1c(Cc2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)[nH+]c2n1CCCC2 ZINC000351438592 486082449 /nfs/dbraw/zinc/08/24/49/486082449.db2.gz XPUDZCZLKGOHPO-KBPBESRZSA-N 2 2 329.404 1.729 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000669409068 486096650 /nfs/dbraw/zinc/09/66/50/486096650.db2.gz OFTQACDXTBONID-CZUORRHYSA-N 2 2 329.404 1.130 20 0 EDADLP COCCOc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668740920 486113033 /nfs/dbraw/zinc/11/30/33/486113033.db2.gz MPMCHNMPSNCIDQ-SFHVURJKSA-N 2 2 334.460 1.743 20 0 EDADLP COCCOc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668740920 486113039 /nfs/dbraw/zinc/11/30/39/486113039.db2.gz MPMCHNMPSNCIDQ-SFHVURJKSA-N 2 2 334.460 1.743 20 0 EDADLP COCCN(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000668740559 486113555 /nfs/dbraw/zinc/11/35/55/486113555.db2.gz VIVYIFLOLAETAM-SFHVURJKSA-N 2 2 348.491 1.195 20 0 EDADLP COCCN(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000668740559 486113558 /nfs/dbraw/zinc/11/35/58/486113558.db2.gz VIVYIFLOLAETAM-SFHVURJKSA-N 2 2 348.491 1.195 20 0 EDADLP C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669424612 486145786 /nfs/dbraw/zinc/14/57/86/486145786.db2.gz JOPVVBWZTMCPAC-DZGCQCFKSA-N 2 2 348.447 1.021 20 0 EDADLP C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669424612 486145794 /nfs/dbraw/zinc/14/57/94/486145794.db2.gz JOPVVBWZTMCPAC-DZGCQCFKSA-N 2 2 348.447 1.021 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2[nH+]1 ZINC000668153565 486179753 /nfs/dbraw/zinc/17/97/53/486179753.db2.gz SHBBHPVKADMXEY-CVEARBPZSA-N 2 2 343.431 1.706 20 0 EDADLP COc1cc(OC)c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1F ZINC000668792079 486202900 /nfs/dbraw/zinc/20/29/00/486202900.db2.gz KDUXBSOPVFZCHP-UHFFFAOYSA-N 2 2 334.395 1.899 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000651516290 501047782 /nfs/dbraw/zinc/04/77/82/501047782.db2.gz IWSJUDQQYYGPLR-QGZVFWFLSA-N 2 2 346.475 1.475 20 0 EDADLP O=C([C@H]1C[NH2+]CCO1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000164021287 534637571 /nfs/dbraw/zinc/63/75/71/534637571.db2.gz XDUWFFSODQTJJY-MRXNPFEDSA-N 2 2 337.851 1.363 20 0 EDADLP O=C([C@H]1C[NH2+]CCO1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000164021287 534637576 /nfs/dbraw/zinc/63/75/76/534637576.db2.gz XDUWFFSODQTJJY-MRXNPFEDSA-N 2 2 337.851 1.363 20 0 EDADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000181039426 534757674 /nfs/dbraw/zinc/75/76/74/534757674.db2.gz YBGQOXFZJAHAOM-AEFFLSMTSA-N 2 2 331.460 1.579 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000171687103 529131832 /nfs/dbraw/zinc/13/18/32/529131832.db2.gz ZAQGYMYAZFAOKC-UHFFFAOYSA-N 2 2 349.479 1.684 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000171687103 529131834 /nfs/dbraw/zinc/13/18/34/529131834.db2.gz ZAQGYMYAZFAOKC-UHFFFAOYSA-N 2 2 349.479 1.684 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)CC1 ZINC000171526880 529152385 /nfs/dbraw/zinc/15/23/85/529152385.db2.gz RWZJDKBGVDUPKB-KRWDZBQOSA-N 2 2 341.459 1.948 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)CC1 ZINC000171526880 529152386 /nfs/dbraw/zinc/15/23/86/529152386.db2.gz RWZJDKBGVDUPKB-KRWDZBQOSA-N 2 2 341.459 1.948 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(C)cc1 ZINC000181038843 529202235 /nfs/dbraw/zinc/20/22/35/529202235.db2.gz VVBGJZDJJNWLSN-RTBURBONSA-N 2 2 345.487 1.969 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000236822539 535044348 /nfs/dbraw/zinc/04/43/48/535044348.db2.gz LHUANFYAYRBOKM-DZKIICNBSA-N 2 2 334.464 1.829 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)[NH+]1CCOCC1 ZINC000248181127 535101280 /nfs/dbraw/zinc/10/12/80/535101280.db2.gz YRRJSHSSOXJZJG-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21)[NH+]1CCOCC1 ZINC000248181127 535101284 /nfs/dbraw/zinc/10/12/84/535101284.db2.gz YRRJSHSSOXJZJG-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(CNC(=O)C[NH2+][C@@H](c1cccnc1)C1CC1)[NH+]1CCOCC1 ZINC000347347970 535103437 /nfs/dbraw/zinc/10/34/37/535103437.db2.gz ZTVSEBCUEYDXLM-GOSISDBHSA-N 2 2 346.475 1.349 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346506718 535160015 /nfs/dbraw/zinc/16/00/15/535160015.db2.gz PTTQMLCUCCOBCY-UKRRQHHQSA-N 2 2 334.420 1.405 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346506718 535160018 /nfs/dbraw/zinc/16/00/18/535160018.db2.gz PTTQMLCUCCOBCY-UKRRQHHQSA-N 2 2 334.420 1.405 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000339596786 535184181 /nfs/dbraw/zinc/18/41/81/535184181.db2.gz PNXDBZSYVGQYEE-HZPDHXFCSA-N 2 2 340.512 1.610 20 0 EDADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000352810861 535250011 /nfs/dbraw/zinc/25/00/11/535250011.db2.gz OVYVSBGRKGAJQJ-CGTJXYLNSA-N 2 2 335.492 1.502 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000077248671 535456468 /nfs/dbraw/zinc/45/64/68/535456468.db2.gz IERWZNUTXSPJGR-UHFFFAOYSA-N 2 2 337.439 1.737 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000077248671 535456473 /nfs/dbraw/zinc/45/64/73/535456473.db2.gz IERWZNUTXSPJGR-UHFFFAOYSA-N 2 2 337.439 1.737 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000237049836 535844686 /nfs/dbraw/zinc/84/46/86/535844686.db2.gz VSGDNNDBGNXHQI-KBXCAEBGSA-N 2 2 349.475 1.721 20 0 EDADLP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245925982 535884692 /nfs/dbraw/zinc/88/46/92/535884692.db2.gz XNDIRIDPGFNBIP-HUUCEWRRSA-N 2 2 326.391 1.571 20 0 EDADLP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245925982 535884694 /nfs/dbraw/zinc/88/46/94/535884694.db2.gz XNDIRIDPGFNBIP-HUUCEWRRSA-N 2 2 326.391 1.571 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)C2)cn1 ZINC000352774756 536059309 /nfs/dbraw/zinc/05/93/09/536059309.db2.gz RAJONYGUQSGDAC-CYBMUJFWSA-N 2 2 334.493 1.697 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000262856091 536559791 /nfs/dbraw/zinc/55/97/91/536559791.db2.gz KRFMXKRLTMIGPB-AEFFLSMTSA-N 2 2 349.475 1.100 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)c1 ZINC000270243206 536689526 /nfs/dbraw/zinc/68/95/26/536689526.db2.gz HYWSMDLNRAJJSF-UHFFFAOYSA-N 2 2 346.475 1.529 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000262754748 536893524 /nfs/dbraw/zinc/89/35/24/536893524.db2.gz CZYNSAXJGQNVFK-WCQYABFASA-N 2 2 326.466 1.677 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000262754748 536893526 /nfs/dbraw/zinc/89/35/26/536893526.db2.gz CZYNSAXJGQNVFK-WCQYABFASA-N 2 2 326.466 1.677 20 0 EDADLP Cc1nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccn12 ZINC000740745007 579384103 /nfs/dbraw/zinc/38/41/03/579384103.db2.gz FDWLEXFZJZRNIZ-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP Cc1nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccn12 ZINC000740745007 579384104 /nfs/dbraw/zinc/38/41/04/579384104.db2.gz FDWLEXFZJZRNIZ-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)[nH+]c12 ZINC000725896580 578301508 /nfs/dbraw/zinc/30/15/08/578301508.db2.gz MDTDSRUXPXTNRS-JKSUJKDBSA-N 2 2 328.416 1.165 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]c12 ZINC000725896580 578301510 /nfs/dbraw/zinc/30/15/10/578301510.db2.gz MDTDSRUXPXTNRS-JKSUJKDBSA-N 2 2 328.416 1.165 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000726247338 578337744 /nfs/dbraw/zinc/33/77/44/578337744.db2.gz YJRIJBAHUCCQAK-CQSZACIVSA-N 2 2 330.436 1.797 20 0 EDADLP Cc1occc1C(=O)NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000727587159 578535024 /nfs/dbraw/zinc/53/50/24/578535024.db2.gz ZOAQJGWAWFFRQY-MRXNPFEDSA-N 2 2 335.448 1.239 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccccn3)C2)c1 ZINC000727830697 578539206 /nfs/dbraw/zinc/53/92/06/578539206.db2.gz HPPGGLSFWNLOLO-INIZCTEOSA-N 2 2 339.443 1.835 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)NCc3ccccn3)C2)c1 ZINC000727830697 578539207 /nfs/dbraw/zinc/53/92/07/578539207.db2.gz HPPGGLSFWNLOLO-INIZCTEOSA-N 2 2 339.443 1.835 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729357049 578565366 /nfs/dbraw/zinc/56/53/66/578565366.db2.gz RITCKOJAKKSNES-UHFFFAOYSA-N 2 2 339.480 1.350 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729357049 578565368 /nfs/dbraw/zinc/56/53/68/578565368.db2.gz RITCKOJAKKSNES-UHFFFAOYSA-N 2 2 339.480 1.350 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H](C)[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000729598548 578584002 /nfs/dbraw/zinc/58/40/02/578584002.db2.gz FNDHHGMAUSAVJX-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+]1CCC(CNC(=S)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000760498114 580032245 /nfs/dbraw/zinc/03/22/45/580032245.db2.gz FAAASVXDEUVQBY-OAHLLOKOSA-N 2 2 333.505 1.466 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)NCCc3cccnc3)C2)CC1 ZINC000732721301 578725530 /nfs/dbraw/zinc/72/55/30/578725530.db2.gz PXNPTLFSNCLDPX-MRXNPFEDSA-N 2 2 347.532 1.257 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)NCCc3cccnc3)C2)CC1 ZINC000732721301 578725532 /nfs/dbraw/zinc/72/55/32/578725532.db2.gz PXNPTLFSNCLDPX-MRXNPFEDSA-N 2 2 347.532 1.257 20 0 EDADLP C[NH+](C)CC1CC[NH+](Cn2cc(I)cn2)CC1 ZINC000738075201 579157415 /nfs/dbraw/zinc/15/74/15/579157415.db2.gz FJGOOKFRHUDIBU-UHFFFAOYSA-N 2 2 348.232 1.719 20 0 EDADLP Cc1cc(-n2c(C)cn(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2=O)no1 ZINC000738158139 579166044 /nfs/dbraw/zinc/16/60/44/579166044.db2.gz KIXRUCISSHCCML-OAHLLOKOSA-N 2 2 342.403 1.735 20 0 EDADLP Cc1cc(-n2c(C)cn(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)c2=O)no1 ZINC000738158139 579166046 /nfs/dbraw/zinc/16/60/46/579166046.db2.gz KIXRUCISSHCCML-OAHLLOKOSA-N 2 2 342.403 1.735 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000739008580 579193890 /nfs/dbraw/zinc/19/38/90/579193890.db2.gz JARMWJBDIIUHCY-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000739008580 579193891 /nfs/dbraw/zinc/19/38/91/579193891.db2.gz JARMWJBDIIUHCY-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000746313368 579586521 /nfs/dbraw/zinc/58/65/21/579586521.db2.gz FTQJDUSLQZYWPL-JYJNAYRXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000746313368 579586522 /nfs/dbraw/zinc/58/65/22/579586522.db2.gz FTQJDUSLQZYWPL-JYJNAYRXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000746313368 579586524 /nfs/dbraw/zinc/58/65/24/579586524.db2.gz FTQJDUSLQZYWPL-JYJNAYRXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000746313368 579586526 /nfs/dbraw/zinc/58/65/26/579586526.db2.gz FTQJDUSLQZYWPL-JYJNAYRXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)OCC[NH+]3CCOCC3)cc2)CC1 ZINC000747702973 579654999 /nfs/dbraw/zinc/65/49/99/579654999.db2.gz 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ZINC000800478521 581053837 /nfs/dbraw/zinc/05/38/37/581053837.db2.gz JSICUHFPZCOWSJ-KRWDZBQOSA-N 2 2 347.459 1.095 20 0 EDADLP NC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000800478521 581053838 /nfs/dbraw/zinc/05/38/38/581053838.db2.gz JSICUHFPZCOWSJ-KRWDZBQOSA-N 2 2 347.459 1.095 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000800858905 581060012 /nfs/dbraw/zinc/06/00/12/581060012.db2.gz MUTQZDODBIBRCW-GJZGRUSLSA-N 2 2 342.447 1.307 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000800858905 581060013 /nfs/dbraw/zinc/06/00/13/581060013.db2.gz MUTQZDODBIBRCW-GJZGRUSLSA-N 2 2 342.447 1.307 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@H](C(F)F)C3)c2cc1C ZINC000801565675 581080123 /nfs/dbraw/zinc/08/01/23/581080123.db2.gz HEQMUXFEVLZIMS-CJNGLKHVSA-N 2 2 339.386 1.980 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@H](C(F)F)C3)c2cc1C ZINC000801565675 581080124 /nfs/dbraw/zinc/08/01/24/581080124.db2.gz 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/nfs/dbraw/zinc/10/73/14/591107314.db2.gz GCZKNRFWPNODBO-CRAIPNDOSA-N 2 2 339.528 1.029 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000892800681 591185652 /nfs/dbraw/zinc/18/56/52/591185652.db2.gz HTBORQIAYALZGK-UHFFFAOYSA-N 2 2 343.475 1.917 20 0 EDADLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CCS(=O)(=O)CC1 ZINC000894098328 591193304 /nfs/dbraw/zinc/19/33/04/591193304.db2.gz YFVPDDKAATWPRM-UHFFFAOYSA-N 2 2 337.489 1.736 20 0 EDADLP C[C@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000892838230 591200605 /nfs/dbraw/zinc/20/06/05/591200605.db2.gz MLMLVHRPEUAREJ-GJZGRUSLSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1[nH+]ccc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1Br ZINC000892856157 591205272 /nfs/dbraw/zinc/20/52/72/591205272.db2.gz FOXBKYZZXCHKHH-GFCCVEGCSA-N 2 2 344.253 1.282 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(N3CC[NH+](C(COC)COC)CC3)c12 ZINC000894181984 591219659 /nfs/dbraw/zinc/21/96/59/591219659.db2.gz VQJQLKGVCIXMIL-UHFFFAOYSA-N 2 2 333.436 1.304 20 0 EDADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(I)cnn2C)C1 ZINC000894190292 591223130 /nfs/dbraw/zinc/22/31/30/591223130.db2.gz LSULRODLUXXYGU-JTQLQIEISA-N 2 2 348.232 1.456 20 0 EDADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(I)cnn2C)C1 ZINC000894190292 591223133 /nfs/dbraw/zinc/22/31/33/591223133.db2.gz LSULRODLUXXYGU-JTQLQIEISA-N 2 2 348.232 1.456 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]c1C(C)C ZINC000894242236 591242153 /nfs/dbraw/zinc/24/21/53/591242153.db2.gz HTHKDFZMLWODEL-HUUCEWRRSA-N 2 2 335.448 1.878 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH]c1C(C)C ZINC000894242236 591242157 /nfs/dbraw/zinc/24/21/57/591242157.db2.gz HTHKDFZMLWODEL-HUUCEWRRSA-N 2 2 335.448 1.878 20 0 EDADLP CCOC(=O)c1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000893028280 591259557 /nfs/dbraw/zinc/25/95/57/591259557.db2.gz CRCWJEJHEDMZEH-GFCCVEGCSA-N 2 2 327.450 1.378 20 0 EDADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1(F)F ZINC000894273935 591260926 /nfs/dbraw/zinc/26/09/26/591260926.db2.gz UCUFNJBCXSPNMS-STQMWFEESA-N 2 2 334.407 1.520 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)C1(F)F ZINC000894288552 591267364 /nfs/dbraw/zinc/26/73/64/591267364.db2.gz VRXSFKQONSFMQK-CABCVRRESA-N 2 2 338.398 1.730 20 0 EDADLP CCn1cc(C[NH+]2CCC([NH+](CCOC)CCOC)CC2)c(C)n1 ZINC000894421824 591310751 /nfs/dbraw/zinc/31/07/51/591310751.db2.gz GBWZBRBVRPNGBQ-UHFFFAOYSA-N 2 2 338.496 1.771 20 0 EDADLP CN(Cc1cn(C)nc1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000894458958 591317825 /nfs/dbraw/zinc/31/78/25/591317825.db2.gz BWYBRCIZZROFLN-SFHVURJKSA-N 2 2 331.508 1.898 20 0 EDADLP CN(Cc1cn(C)nc1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000894458958 591317828 /nfs/dbraw/zinc/31/78/28/591317828.db2.gz BWYBRCIZZROFLN-SFHVURJKSA-N 2 2 331.508 1.898 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000896079759 591341166 /nfs/dbraw/zinc/34/11/66/591341166.db2.gz OUAVVJYDTMMSNU-NVXWUHKLSA-N 2 2 341.459 1.987 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000896079759 591341168 /nfs/dbraw/zinc/34/11/68/591341168.db2.gz OUAVVJYDTMMSNU-NVXWUHKLSA-N 2 2 341.459 1.987 20 0 EDADLP Cc1cc[nH+]c(N)c1CNc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000894591536 591352374 /nfs/dbraw/zinc/35/23/74/591352374.db2.gz DTFWNNOXLVXXRO-UHFFFAOYSA-N 2 2 325.416 1.428 20 0 EDADLP Cc1cc[nH+]c(N)c1CNc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000894591536 591352377 /nfs/dbraw/zinc/35/23/77/591352377.db2.gz DTFWNNOXLVXXRO-UHFFFAOYSA-N 2 2 325.416 1.428 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000896185580 591375348 /nfs/dbraw/zinc/37/53/48/591375348.db2.gz ABQNYOOPINXPFP-PSBWJHGTSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000896185580 591375354 /nfs/dbraw/zinc/37/53/54/591375354.db2.gz ABQNYOOPINXPFP-PSBWJHGTSA-N 2 2 345.487 1.905 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1c[nH+]c[nH]1 ZINC000894754403 591408664 /nfs/dbraw/zinc/40/86/64/591408664.db2.gz BEQCJPXJBNYMAU-UHFFFAOYSA-N 2 2 328.825 1.440 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(Br)nn1C ZINC000894777073 591414977 /nfs/dbraw/zinc/41/49/77/591414977.db2.gz LTNOTSVYGDCPOY-UHFFFAOYSA-N 2 2 327.230 1.605 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(Br)nn1C ZINC000894777073 591414980 /nfs/dbraw/zinc/41/49/80/591414980.db2.gz LTNOTSVYGDCPOY-UHFFFAOYSA-N 2 2 327.230 1.605 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898585449 591423516 /nfs/dbraw/zinc/42/35/16/591423516.db2.gz YHKUBFHGIACBQI-MRXNPFEDSA-N 2 2 330.432 1.019 20 0 EDADLP Brc1c[nH+]c2n1C[C@@H]([NH2+]Cc1cnn3c1CCC3)CC2 ZINC000898721245 591483465 /nfs/dbraw/zinc/48/34/65/591483465.db2.gz RGMNGZINRAAHAY-NSHDSACASA-N 2 2 336.237 1.893 20 0 EDADLP O=CN1CCC([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)CC1 ZINC000898723923 591489750 /nfs/dbraw/zinc/48/97/50/591489750.db2.gz KBIJXRJGJOLFAW-NSHDSACASA-N 2 2 327.226 1.171 20 0 EDADLP CC(=O)N1CCC([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)CC1 ZINC000898725441 591490744 /nfs/dbraw/zinc/49/07/44/591490744.db2.gz UAYRYKUNTWIEAK-GFCCVEGCSA-N 2 2 341.253 1.561 20 0 EDADLP C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C12CCC2 ZINC000898836975 591546895 /nfs/dbraw/zinc/54/68/95/591546895.db2.gz YKHQTYUKIQFUJD-HOTGVXAUSA-N 2 2 325.416 1.870 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C3C[NH+](C4CCOCC4)C3)ccc2n1C ZINC000896758411 591599349 /nfs/dbraw/zinc/59/93/49/591599349.db2.gz ONUMUVDZCXOQDM-UHFFFAOYSA-N 2 2 328.416 1.931 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc[nH+]1 ZINC000895136838 591611304 /nfs/dbraw/zinc/61/13/04/591611304.db2.gz LDFCZJCVRPVEJS-GJZGRUSLSA-N 2 2 342.447 1.770 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)[nH+]cn1 ZINC000895136838 591611309 /nfs/dbraw/zinc/61/13/09/591611309.db2.gz LDFCZJCVRPVEJS-GJZGRUSLSA-N 2 2 342.447 1.770 20 0 EDADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C1N=NC(=O)N1C ZINC000895176921 591641941 /nfs/dbraw/zinc/64/19/41/591641941.db2.gz PIOCFWMONWRFGE-ZDUSSCGKSA-N 2 2 344.463 1.906 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1(F)F ZINC000895193383 591651890 /nfs/dbraw/zinc/65/18/90/591651890.db2.gz XFPLUDNNDIFGKU-MCIONIFRSA-N 2 2 332.391 1.227 20 0 EDADLP C[C@@H](Cc1cccnc1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000897969636 591726541 /nfs/dbraw/zinc/72/65/41/591726541.db2.gz LYMQYHFESLJZIB-KRWDZBQOSA-N 2 2 332.492 1.399 20 0 EDADLP C[C@@H](Cc1cccnc1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000897969636 591726545 /nfs/dbraw/zinc/72/65/45/591726545.db2.gz LYMQYHFESLJZIB-KRWDZBQOSA-N 2 2 332.492 1.399 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCCC[NH+]2CCC[C@H]2CO)[nH]n1 ZINC000897235968 591781065 /nfs/dbraw/zinc/78/10/65/591781065.db2.gz VITMAFYHPNZNFW-YOEHRIQHSA-N 2 2 349.479 1.143 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCCC[NH+]2CCC[C@H]2CO)[nH]n1 ZINC000897235968 591781067 /nfs/dbraw/zinc/78/10/67/591781067.db2.gz VITMAFYHPNZNFW-YOEHRIQHSA-N 2 2 349.479 1.143 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)[nH]n1 ZINC000897235968 591781070 /nfs/dbraw/zinc/78/10/70/591781070.db2.gz VITMAFYHPNZNFW-YOEHRIQHSA-N 2 2 349.479 1.143 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)[nH]n1 ZINC000897235968 591781072 /nfs/dbraw/zinc/78/10/72/591781072.db2.gz VITMAFYHPNZNFW-YOEHRIQHSA-N 2 2 349.479 1.143 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCCC[NH+]2CCC[C@H]2CO)n[nH]1 ZINC000897235968 591781074 /nfs/dbraw/zinc/78/10/74/591781074.db2.gz VITMAFYHPNZNFW-YOEHRIQHSA-N 2 2 349.479 1.143 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCCC[NH+]2CCC[C@H]2CO)n[nH]1 ZINC000897235968 591781076 /nfs/dbraw/zinc/78/10/76/591781076.db2.gz VITMAFYHPNZNFW-YOEHRIQHSA-N 2 2 349.479 1.143 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000895552485 591799112 /nfs/dbraw/zinc/79/91/12/591799112.db2.gz OLHGREKCELHSJV-QLFBSQMISA-N 2 2 325.497 1.863 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000895552485 591799115 /nfs/dbraw/zinc/79/91/15/591799115.db2.gz OLHGREKCELHSJV-QLFBSQMISA-N 2 2 325.497 1.863 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000895552485 591799120 /nfs/dbraw/zinc/79/91/20/591799120.db2.gz OLHGREKCELHSJV-QLFBSQMISA-N 2 2 325.497 1.863 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)O1 ZINC000895552485 591799122 /nfs/dbraw/zinc/79/91/22/591799122.db2.gz OLHGREKCELHSJV-QLFBSQMISA-N 2 2 325.497 1.863 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)[nH+]1 ZINC000895566298 591807559 /nfs/dbraw/zinc/80/75/59/591807559.db2.gz IXXKUVWPZOQNBB-NEPJUHHUSA-N 2 2 331.449 1.236 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)[nH+]1 ZINC000895566298 591807562 /nfs/dbraw/zinc/80/75/62/591807562.db2.gz IXXKUVWPZOQNBB-NEPJUHHUSA-N 2 2 331.449 1.236 20 0 EDADLP [NH3+][C@@H]1c2ccccc2C[C@H]1Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000900019727 591870414 /nfs/dbraw/zinc/87/04/14/591870414.db2.gz FTVMSRLEXGMGFA-ZSZQSSIHSA-N 2 2 339.443 1.864 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898366692 591892292 /nfs/dbraw/zinc/89/22/92/591892292.db2.gz FHNVAZNXKBXMAU-NQBHXWOUSA-N 2 2 337.855 1.487 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898366692 591892297 /nfs/dbraw/zinc/89/22/97/591892297.db2.gz FHNVAZNXKBXMAU-NQBHXWOUSA-N 2 2 337.855 1.487 20 0 EDADLP CCn1cnc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000902077492 591908522 /nfs/dbraw/zinc/90/85/22/591908522.db2.gz VSGBKHJIUDVNKB-UHFFFAOYSA-N 2 2 327.476 1.940 20 0 EDADLP CCn1cnc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000902077492 591908527 /nfs/dbraw/zinc/90/85/27/591908527.db2.gz VSGBKHJIUDVNKB-UHFFFAOYSA-N 2 2 327.476 1.940 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C[NH+](C)C)C1 ZINC000900171623 591926629 /nfs/dbraw/zinc/92/66/29/591926629.db2.gz NIADZEIAZJFPPB-INIZCTEOSA-N 2 2 347.459 1.962 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C[NH+](C)C)C1 ZINC000900171623 591926631 /nfs/dbraw/zinc/92/66/31/591926631.db2.gz NIADZEIAZJFPPB-INIZCTEOSA-N 2 2 347.459 1.962 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2)C[C@H](C)O1 ZINC000900174457 591938195 /nfs/dbraw/zinc/93/81/95/591938195.db2.gz LHYYNLPYPBFNJO-GASCZTMLSA-N 2 2 342.443 1.878 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2)C[C@H](C)O1 ZINC000900174457 591938197 /nfs/dbraw/zinc/93/81/97/591938197.db2.gz LHYYNLPYPBFNJO-GASCZTMLSA-N 2 2 342.443 1.878 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Cc3c[nH+]c[nH]3)cc2)C[C@H](C)O1 ZINC000900174457 591938199 /nfs/dbraw/zinc/93/81/99/591938199.db2.gz LHYYNLPYPBFNJO-GASCZTMLSA-N 2 2 342.443 1.878 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Cc3c[nH+]c[nH]3)cc2)C[C@H](C)O1 ZINC000900174457 591938200 /nfs/dbraw/zinc/93/82/00/591938200.db2.gz LHYYNLPYPBFNJO-GASCZTMLSA-N 2 2 342.443 1.878 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)C2=O ZINC000902193508 591941849 /nfs/dbraw/zinc/94/18/49/591941849.db2.gz ARBSGVMTBCRZDT-XNWPKKHHSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)C2=O ZINC000902193508 591941851 /nfs/dbraw/zinc/94/18/51/591941851.db2.gz ARBSGVMTBCRZDT-XNWPKKHHSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)C2=O ZINC000902193508 591941852 /nfs/dbraw/zinc/94/18/52/591941852.db2.gz ARBSGVMTBCRZDT-XNWPKKHHSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2=O ZINC000902193508 591941853 /nfs/dbraw/zinc/94/18/53/591941853.db2.gz ARBSGVMTBCRZDT-XNWPKKHHSA-N 2 2 345.487 1.924 20 0 EDADLP NC(=[NH+]OC[C@H]1CNC(=O)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000902224766 591949260 /nfs/dbraw/zinc/94/92/60/591949260.db2.gz MGJZQRPQEFAIMH-OAHLLOKOSA-N 2 2 330.432 1.655 20 0 EDADLP CCn1cc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)nn1 ZINC000899885516 591971895 /nfs/dbraw/zinc/97/18/95/591971895.db2.gz DANJZKCSFKATEF-GOSISDBHSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)nn1 ZINC000899885516 591971896 /nfs/dbraw/zinc/97/18/96/591971896.db2.gz DANJZKCSFKATEF-GOSISDBHSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)nn1 ZINC000899885516 591971898 /nfs/dbraw/zinc/97/18/98/591971898.db2.gz DANJZKCSFKATEF-GOSISDBHSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)nn1 ZINC000899885516 591971899 /nfs/dbraw/zinc/97/18/99/591971899.db2.gz DANJZKCSFKATEF-GOSISDBHSA-N 2 2 344.463 1.798 20 0 EDADLP COc1cc(OC)cc([C@@H](N[C@H](C)C2([NH3+])CC2)c2[nH+]ccn2C)c1 ZINC000902337064 591980841 /nfs/dbraw/zinc/98/08/41/591980841.db2.gz YETMUBJFKJWTFH-MLGOLLRUSA-N 2 2 330.432 1.996 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CCN1c1cc[nH+]cc1 ZINC000902371334 591981834 /nfs/dbraw/zinc/98/18/34/591981834.db2.gz OVRXQOITAWLXLV-OIISXLGYSA-N 2 2 340.427 1.501 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CCN1c1cc[nH+]cc1 ZINC000902371334 591981836 /nfs/dbraw/zinc/98/18/36/591981836.db2.gz OVRXQOITAWLXLV-OIISXLGYSA-N 2 2 340.427 1.501 20 0 EDADLP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900306045 591982117 /nfs/dbraw/zinc/98/21/17/591982117.db2.gz OHNFOHUIPGJYPN-HNNXBMFYSA-N 2 2 327.432 1.677 20 0 EDADLP C[N@H+]1CC[C@@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900306045 591982122 /nfs/dbraw/zinc/98/21/22/591982122.db2.gz OHNFOHUIPGJYPN-HNNXBMFYSA-N 2 2 327.432 1.677 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000900341047 591989703 /nfs/dbraw/zinc/98/97/03/591989703.db2.gz YRZNZWHFXCQHSE-HNNXBMFYSA-N 2 2 332.452 1.486 20 0 EDADLP CC[NH+]1CCC(NC(=O)COc2ccc3c(c2)[nH+]c(C)n3C)CC1 ZINC000902425178 591993091 /nfs/dbraw/zinc/99/30/91/591993091.db2.gz WMAHCMCEOWXACP-UHFFFAOYSA-N 2 2 330.432 1.861 20 0 EDADLP O=C1O[C@@H](CNc2cc(N3CCCCC3)nc[nH+]2)CC12CC[NH2+]CC2 ZINC000900360091 591995015 /nfs/dbraw/zinc/99/50/15/591995015.db2.gz NLBRRWMXMXKWFI-CQSZACIVSA-N 2 2 345.447 1.564 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(N2CC[NH2+]CC[NH2+]CC2)n1 ZINC000900368360 591998266 /nfs/dbraw/zinc/99/82/66/591998266.db2.gz DOHMTMRVYYNASK-DOTOQJQBSA-N 2 2 348.495 1.091 20 0 EDADLP C[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000902448567 591998487 /nfs/dbraw/zinc/99/84/87/591998487.db2.gz GOKFUSFQFVZEHR-BBRMVZONSA-N 2 2 337.489 1.875 20 0 EDADLP O=C1Nc2ncc(Br)cc2C[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000902453055 591998736 /nfs/dbraw/zinc/99/87/36/591998736.db2.gz BVFFUPJEVDMYIV-NWDGAFQWSA-N 2 2 339.237 1.439 20 0 EDADLP Cc1nnc(CCONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000902725936 592053338 /nfs/dbraw/zinc/05/33/38/592053338.db2.gz FSROCPWBIPTXHJ-HNNXBMFYSA-N 2 2 345.403 1.320 20 0 EDADLP Cc1nnc(CCONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000902725936 592053340 /nfs/dbraw/zinc/05/33/40/592053340.db2.gz FSROCPWBIPTXHJ-HNNXBMFYSA-N 2 2 345.403 1.320 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000900667013 592086264 /nfs/dbraw/zinc/08/62/64/592086264.db2.gz KYKTXKDMYSGWHS-NVXWUHKLSA-N 2 2 341.496 1.007 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000900695518 592088876 /nfs/dbraw/zinc/08/88/76/592088876.db2.gz QAADBXVATVLCFN-UHFFFAOYSA-N 2 2 335.496 1.586 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000900695518 592088879 /nfs/dbraw/zinc/08/88/79/592088879.db2.gz QAADBXVATVLCFN-UHFFFAOYSA-N 2 2 335.496 1.586 20 0 EDADLP COc1cc(CO)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900675835 592091504 /nfs/dbraw/zinc/09/15/04/592091504.db2.gz XGVNKMJCKBESKW-OAHLLOKOSA-N 2 2 347.459 1.086 20 0 EDADLP COc1cc(CO)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900675835 592091505 /nfs/dbraw/zinc/09/15/05/592091505.db2.gz XGVNKMJCKBESKW-OAHLLOKOSA-N 2 2 347.459 1.086 20 0 EDADLP CCn1ncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C1CC1 ZINC000900693501 592096857 /nfs/dbraw/zinc/09/68/57/592096857.db2.gz VADVMOSUYOZKES-UHFFFAOYSA-N 2 2 347.507 1.878 20 0 EDADLP CCn1ncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C1CC1 ZINC000900693501 592096859 /nfs/dbraw/zinc/09/68/59/592096859.db2.gz VADVMOSUYOZKES-UHFFFAOYSA-N 2 2 347.507 1.878 20 0 EDADLP Cc1cnc2c(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cnn2c1 ZINC000900693346 592096991 /nfs/dbraw/zinc/09/69/91/592096991.db2.gz PXKLGHWKFLTQEN-UHFFFAOYSA-N 2 2 344.463 1.136 20 0 EDADLP Cc1cnc2c(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cnn2c1 ZINC000900693346 592096994 /nfs/dbraw/zinc/09/69/94/592096994.db2.gz PXKLGHWKFLTQEN-UHFFFAOYSA-N 2 2 344.463 1.136 20 0 EDADLP CO[C@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000903085941 592117709 /nfs/dbraw/zinc/11/77/09/592117709.db2.gz IZEZYJPLQRTGGQ-CVEARBPZSA-N 2 2 332.448 1.277 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCO[C@]23CCOC3)C1 ZINC000903202504 592135033 /nfs/dbraw/zinc/13/50/33/592135033.db2.gz CWTABAPLQAIGLK-AABGKKOBSA-N 2 2 345.487 1.340 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCO[C@]23CCOC3)C1 ZINC000903202504 592135034 /nfs/dbraw/zinc/13/50/34/592135034.db2.gz CWTABAPLQAIGLK-AABGKKOBSA-N 2 2 345.487 1.340 20 0 EDADLP CC(=O)OCc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000903205425 592137596 /nfs/dbraw/zinc/13/75/96/592137596.db2.gz ICTTULCPBJPLEW-KDOFPFPSSA-N 2 2 347.459 1.740 20 0 EDADLP CC(=O)OCc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000903205425 592137598 /nfs/dbraw/zinc/13/75/98/592137598.db2.gz ICTTULCPBJPLEW-KDOFPFPSSA-N 2 2 347.459 1.740 20 0 EDADLP CN1CCOC[C@@]1(CO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000903277690 592150156 /nfs/dbraw/zinc/15/01/56/592150156.db2.gz ISDSCCIETBZVFA-ICSRJNTNSA-N 2 2 347.503 1.322 20 0 EDADLP CN1CCOC[C@@]1(CO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000903277690 592150157 /nfs/dbraw/zinc/15/01/57/592150157.db2.gz ISDSCCIETBZVFA-ICSRJNTNSA-N 2 2 347.503 1.322 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCNc2cccc(C)[nH+]2)C1 ZINC000900864101 592150374 /nfs/dbraw/zinc/15/03/74/592150374.db2.gz NIJMYOLKXJIKHI-OAHLLOKOSA-N 2 2 348.447 1.193 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCNc2cccc(C)[nH+]2)C1 ZINC000900864101 592150376 /nfs/dbraw/zinc/15/03/76/592150376.db2.gz NIJMYOLKXJIKHI-OAHLLOKOSA-N 2 2 348.447 1.193 20 0 EDADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903292007 592152191 /nfs/dbraw/zinc/15/21/91/592152191.db2.gz PQTRZOLCPUNWHT-HNNXBMFYSA-N 2 2 348.472 1.949 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903300758 592153348 /nfs/dbraw/zinc/15/33/48/592153348.db2.gz JRIXHBCDNRRAIZ-XEZPLFJOSA-N 2 2 325.478 1.680 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903300758 592153349 /nfs/dbraw/zinc/15/33/49/592153349.db2.gz JRIXHBCDNRRAIZ-XEZPLFJOSA-N 2 2 325.478 1.680 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000903299865 592153486 /nfs/dbraw/zinc/15/34/86/592153486.db2.gz CCWQUMVPXCCCOO-SQWLQELKSA-N 2 2 339.480 1.249 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000903299865 592153487 /nfs/dbraw/zinc/15/34/87/592153487.db2.gz CCWQUMVPXCCCOO-SQWLQELKSA-N 2 2 339.480 1.249 20 0 EDADLP CC[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000903342791 592156186 /nfs/dbraw/zinc/15/61/86/592156186.db2.gz KKQQBMYBXDLEFQ-SFHVURJKSA-N 2 2 332.492 1.746 20 0 EDADLP CC[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000903345157 592156619 /nfs/dbraw/zinc/15/66/19/592156619.db2.gz DFDFZXRUOPTVOV-QGZVFWFLSA-N 2 2 332.492 1.746 20 0 EDADLP O=C(CNc1cccc[nH+]1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000900899337 592164825 /nfs/dbraw/zinc/16/48/25/592164825.db2.gz QQPWCANHOHYABQ-LJQANCHMSA-N 2 2 340.427 1.247 20 0 EDADLP O=C(CNc1cccc[nH+]1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000900899337 592164826 /nfs/dbraw/zinc/16/48/26/592164826.db2.gz QQPWCANHOHYABQ-LJQANCHMSA-N 2 2 340.427 1.247 20 0 EDADLP Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903439548 592169956 /nfs/dbraw/zinc/16/99/56/592169956.db2.gz KEXGJJAGSGKCOZ-KURKYZTESA-N 2 2 345.487 1.762 20 0 EDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000903492952 592185609 /nfs/dbraw/zinc/18/56/09/592185609.db2.gz MQZKMFSUMKBTIR-FCEWJHQRSA-N 3 2 340.427 1.585 20 0 EDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000903492952 592185611 /nfs/dbraw/zinc/18/56/11/592185611.db2.gz MQZKMFSUMKBTIR-FCEWJHQRSA-N 3 2 340.427 1.585 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900982999 592189724 /nfs/dbraw/zinc/18/97/24/592189724.db2.gz HHEYIIASEVXJFY-QYWGPIJCSA-N 2 2 335.492 1.740 20 0 EDADLP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900982999 592189725 /nfs/dbraw/zinc/18/97/25/592189725.db2.gz HHEYIIASEVXJFY-QYWGPIJCSA-N 2 2 335.492 1.740 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000901040860 592207937 /nfs/dbraw/zinc/20/79/37/592207937.db2.gz NRTWQJOXMZUYLK-HNNXBMFYSA-N 2 2 346.475 1.927 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000901040860 592207940 /nfs/dbraw/zinc/20/79/40/592207940.db2.gz NRTWQJOXMZUYLK-HNNXBMFYSA-N 2 2 346.475 1.927 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c[nH+]1 ZINC000901074778 592224537 /nfs/dbraw/zinc/22/45/37/592224537.db2.gz CVYNDPQTELHDAP-INIZCTEOSA-N 2 2 334.464 1.640 20 0 EDADLP COc1cc(NC(=O)C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)cc(OC)c1 ZINC000904345123 592234654 /nfs/dbraw/zinc/23/46/54/592234654.db2.gz CVCMLUUPIGXJNS-GOSISDBHSA-N 2 2 335.448 1.964 20 0 EDADLP COc1cc(NC(=O)C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)cc(OC)c1 ZINC000904345123 592234657 /nfs/dbraw/zinc/23/46/57/592234657.db2.gz CVCMLUUPIGXJNS-GOSISDBHSA-N 2 2 335.448 1.964 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000904456956 592264984 /nfs/dbraw/zinc/26/49/84/592264984.db2.gz IHFNHFCVNQZMQY-ZDUSSCGKSA-N 2 2 335.839 1.807 20 0 EDADLP CCn1nc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C1CC1 ZINC000906660147 592269774 /nfs/dbraw/zinc/26/97/74/592269774.db2.gz JYLJJRDUERDTOD-HNNXBMFYSA-N 2 2 345.491 1.679 20 0 EDADLP CCn1nc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C1CC1 ZINC000906660147 592269776 /nfs/dbraw/zinc/26/97/76/592269776.db2.gz JYLJJRDUERDTOD-HNNXBMFYSA-N 2 2 345.491 1.679 20 0 EDADLP CCO[C@H]1C[NH2+][C@H](c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)C1 ZINC000904529374 592280001 /nfs/dbraw/zinc/28/00/01/592280001.db2.gz GSNCGQOMXUGRKA-OLZOCXBDSA-N 2 2 326.360 1.757 20 0 EDADLP O=C(c1ccsc1)N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722117 592282965 /nfs/dbraw/zinc/28/29/65/592282965.db2.gz HFHBJFKHDFXMPH-WBVHZDCISA-N 2 2 335.473 1.275 20 0 EDADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903745756 592292601 /nfs/dbraw/zinc/29/26/01/592292601.db2.gz QDKSXETVKRECIE-WCVJEAGWSA-N 2 2 337.489 1.667 20 0 EDADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903745756 592292605 /nfs/dbraw/zinc/29/26/05/592292605.db2.gz QDKSXETVKRECIE-WCVJEAGWSA-N 2 2 337.489 1.667 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@H]1CCCC[NH2+]C1 ZINC000903776309 592317729 /nfs/dbraw/zinc/31/77/29/592317729.db2.gz SBCLZHHMXVNILL-AWEZNQCLSA-N 2 2 333.432 1.718 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@H]1CCCC[NH2+]C1 ZINC000903776309 592317734 /nfs/dbraw/zinc/31/77/34/592317734.db2.gz SBCLZHHMXVNILL-AWEZNQCLSA-N 2 2 333.432 1.718 20 0 EDADLP O=C1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](c2ccccc2)CN1 ZINC000903788476 592323428 /nfs/dbraw/zinc/32/34/28/592323428.db2.gz LUHVJJDDELFIFG-DLBZAZTESA-N 2 2 329.444 1.318 20 0 EDADLP O=C1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](c2ccccc2)CN1 ZINC000903788476 592323431 /nfs/dbraw/zinc/32/34/31/592323431.db2.gz LUHVJJDDELFIFG-DLBZAZTESA-N 2 2 329.444 1.318 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815654 592324376 /nfs/dbraw/zinc/32/43/76/592324376.db2.gz NNIMSHNVCAGLNQ-UHFFFAOYSA-N 2 2 331.460 1.456 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815654 592324380 /nfs/dbraw/zinc/32/43/80/592324380.db2.gz NNIMSHNVCAGLNQ-UHFFFAOYSA-N 2 2 331.460 1.456 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@]12CC[NH2+]C2)NC(=O)NCc1ccccc1 ZINC000903867087 592342286 /nfs/dbraw/zinc/34/22/86/592342286.db2.gz XZHNBTBBQXVBBY-GOSISDBHSA-N 2 2 330.432 1.230 20 0 EDADLP O=C(CC[N@H+]1CCC[C@]12CC[NH2+]C2)NC(=O)NCc1ccccc1 ZINC000903867087 592342293 /nfs/dbraw/zinc/34/22/93/592342293.db2.gz XZHNBTBBQXVBBY-GOSISDBHSA-N 2 2 330.432 1.230 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903852685 592345249 /nfs/dbraw/zinc/34/52/49/592345249.db2.gz BTBYSQOHIQAMRM-APWZRJJASA-N 2 2 331.460 1.857 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903852685 592345254 /nfs/dbraw/zinc/34/52/54/592345254.db2.gz BTBYSQOHIQAMRM-APWZRJJASA-N 2 2 331.460 1.857 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]4CC[C@@]43C[NH3+])CC2)c1 ZINC000903855120 592346881 /nfs/dbraw/zinc/34/68/81/592346881.db2.gz LORQEAWEAOYKAU-YLJYHZDGSA-N 2 2 342.487 1.457 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H]4CC[C@@]43C[NH3+])CC2)c1 ZINC000903855120 592346887 /nfs/dbraw/zinc/34/68/87/592346887.db2.gz LORQEAWEAOYKAU-YLJYHZDGSA-N 2 2 342.487 1.457 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cnn1C ZINC000903872776 592354518 /nfs/dbraw/zinc/35/45/18/592354518.db2.gz CGXHQAPFGXDSHT-PXNSSMCTSA-N 2 2 341.503 1.835 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCN(C)C[C@H]2c2ccccc2)cnn1C ZINC000903872776 592354521 /nfs/dbraw/zinc/35/45/21/592354521.db2.gz CGXHQAPFGXDSHT-PXNSSMCTSA-N 2 2 341.503 1.835 20 0 EDADLP COC(=O)[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C(=O)OC)C1 ZINC000903902885 592372031 /nfs/dbraw/zinc/37/20/31/592372031.db2.gz PALQMQOZLFPSQF-GUYCJALGSA-N 2 2 346.427 1.259 20 0 EDADLP COC(=O)[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@H](C(=O)OC)C1 ZINC000903902885 592372036 /nfs/dbraw/zinc/37/20/36/592372036.db2.gz PALQMQOZLFPSQF-GUYCJALGSA-N 2 2 346.427 1.259 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cnn1C ZINC000903905388 592372512 /nfs/dbraw/zinc/37/25/12/592372512.db2.gz DOMUUJAYPRRSLI-AHRSYUTCSA-N 3 2 341.503 1.520 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cnn1C ZINC000903905388 592372519 /nfs/dbraw/zinc/37/25/19/592372519.db2.gz DOMUUJAYPRRSLI-AHRSYUTCSA-N 3 2 341.503 1.520 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)cnn1C ZINC000903934233 592386152 /nfs/dbraw/zinc/38/61/52/592386152.db2.gz FCBNQYBJGSEMHC-OAHLLOKOSA-N 2 2 341.459 1.325 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2Cc3ccccc3N(C)C(=O)C2)cnn1C ZINC000903934233 592386155 /nfs/dbraw/zinc/38/61/55/592386155.db2.gz FCBNQYBJGSEMHC-OAHLLOKOSA-N 2 2 341.459 1.325 20 0 EDADLP CCOC(=O)[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCCOC1 ZINC000903916126 592388776 /nfs/dbraw/zinc/38/87/76/592388776.db2.gz QUGWSMMKBVNGHS-SJLPKXTDSA-N 2 2 332.444 1.780 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C[C@]1(O)CCOC1 ZINC000905071048 592402613 /nfs/dbraw/zinc/40/26/13/592402613.db2.gz MTFCKRDDOAGUSB-SLFFLAALSA-N 2 2 348.487 1.533 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C[C@]1(O)CCOC1 ZINC000905071048 592402615 /nfs/dbraw/zinc/40/26/15/592402615.db2.gz MTFCKRDDOAGUSB-SLFFLAALSA-N 2 2 348.487 1.533 20 0 EDADLP Cc1cccc([C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000905123452 592417833 /nfs/dbraw/zinc/41/78/33/592417833.db2.gz YPALUIKAFFMVBQ-MOPGFXCFSA-N 2 2 333.476 1.025 20 0 EDADLP COCC[C@H]([NH3+])c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000904103001 592426005 /nfs/dbraw/zinc/42/60/05/592426005.db2.gz KRCMPGYCBASOHY-GJZGRUSLSA-N 2 2 332.404 1.679 20 0 EDADLP COCC[C@H]([NH3+])c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000904103001 592426007 /nfs/dbraw/zinc/42/60/07/592426007.db2.gz KRCMPGYCBASOHY-GJZGRUSLSA-N 2 2 332.404 1.679 20 0 EDADLP Cc1[nH+]cn(-c2ccc(NC(=O)C3CN(C)CC[N@H+](C)C3)cc2)c1C ZINC000908323661 592460927 /nfs/dbraw/zinc/46/09/27/592460927.db2.gz OZQQLVNPYFOFDG-UHFFFAOYSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1[nH+]cn(-c2ccc(NC(=O)C3CN(C)CC[N@@H+](C)C3)cc2)c1C ZINC000908323661 592460929 /nfs/dbraw/zinc/46/09/29/592460929.db2.gz OZQQLVNPYFOFDG-UHFFFAOYSA-N 2 2 341.459 1.921 20 0 EDADLP C[N@H+](Cc1ccc(N)nn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000904313671 592474843 /nfs/dbraw/zinc/47/48/43/592474843.db2.gz JJKUXPYKILHTCG-UHFFFAOYSA-N 2 2 326.448 1.593 20 0 EDADLP C[N@@H+](Cc1ccc(N)nn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000904313671 592474845 /nfs/dbraw/zinc/47/48/45/592474845.db2.gz JJKUXPYKILHTCG-UHFFFAOYSA-N 2 2 326.448 1.593 20 0 EDADLP CC[NH+]1CCN(c2ccc(-c3nc(C4([NH3+])CC4)no3)cc2F)CC1 ZINC000905321496 592496829 /nfs/dbraw/zinc/49/68/29/592496829.db2.gz HYOKCROJRFIAAK-UHFFFAOYSA-N 2 2 331.395 1.965 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905367621 592516993 /nfs/dbraw/zinc/51/69/93/592516993.db2.gz KYFHVDCUHHHBKJ-FHWLQOOXSA-N 2 2 336.476 1.298 20 0 EDADLP OCCC[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905367621 592516995 /nfs/dbraw/zinc/51/69/95/592516995.db2.gz KYFHVDCUHHHBKJ-FHWLQOOXSA-N 2 2 336.476 1.298 20 0 EDADLP COC(=O)/C(C)=C\C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000905534236 592554717 /nfs/dbraw/zinc/55/47/17/592554717.db2.gz PYSDGMGHFQFZAQ-HYMFSAHRSA-N 2 2 331.416 1.723 20 0 EDADLP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000905541865 592557192 /nfs/dbraw/zinc/55/71/92/592557192.db2.gz RJVOCGGZUQSBRK-SZVBFZGTSA-N 2 2 334.460 1.630 20 0 EDADLP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000905541865 592557193 /nfs/dbraw/zinc/55/71/93/592557193.db2.gz RJVOCGGZUQSBRK-SZVBFZGTSA-N 2 2 334.460 1.630 20 0 EDADLP OCC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)CCCC1 ZINC000905617911 592595710 /nfs/dbraw/zinc/59/57/10/592595710.db2.gz GGJBACRSAVLNNC-IRXDYDNUSA-N 2 2 326.481 1.133 20 0 EDADLP OCC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)CCCC1 ZINC000905617911 592595712 /nfs/dbraw/zinc/59/57/12/592595712.db2.gz GGJBACRSAVLNNC-IRXDYDNUSA-N 2 2 326.481 1.133 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)c2cc1C ZINC000905659893 592599815 /nfs/dbraw/zinc/59/98/15/592599815.db2.gz VMWJKPBYHGGLAN-GCWLBTCHSA-N 2 2 327.428 1.779 20 0 EDADLP COc1cccc([C@H]2C[NH2+]CCN2c2cc(NC[C@@H](C)O)[nH+]cn2)c1 ZINC000905661420 592600222 /nfs/dbraw/zinc/60/02/22/592600222.db2.gz MYFXWXDXIOGJAR-CZUORRHYSA-N 2 2 343.431 1.429 20 0 EDADLP CC(C)Nc1nc(N2CCCC[C@]3(CC[NH2+]C3)C2)nc(NCCO)[nH+]1 ZINC000905684026 592612025 /nfs/dbraw/zinc/61/20/25/592612025.db2.gz YHTXGIOIJGAHLV-QGZVFWFLSA-N 2 2 349.483 1.066 20 0 EDADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000905684026 592612026 /nfs/dbraw/zinc/61/20/26/592612026.db2.gz YHTXGIOIJGAHLV-QGZVFWFLSA-N 2 2 349.483 1.066 20 0 EDADLP CC(C)Nc1nc(NCCO)nc(N2CCCC[C@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000905684026 592612029 /nfs/dbraw/zinc/61/20/29/592612029.db2.gz YHTXGIOIJGAHLV-QGZVFWFLSA-N 2 2 349.483 1.066 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N(C)CC[NH+]3CCCC3)co2)C1 ZINC000906557698 592844011 /nfs/dbraw/zinc/84/40/11/592844011.db2.gz BVRYWEJSPHHAJX-AWEZNQCLSA-N 2 2 336.436 1.063 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N(C)CC[NH+]3CCCC3)co2)C1 ZINC000906557698 592844013 /nfs/dbraw/zinc/84/40/13/592844013.db2.gz BVRYWEJSPHHAJX-AWEZNQCLSA-N 2 2 336.436 1.063 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907937612 592849864 /nfs/dbraw/zinc/84/98/64/592849864.db2.gz FTTSVMKTRVIGEC-CRAIPNDOSA-N 2 2 334.464 1.803 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)[C@@H]3CCCO3)CC2)CC1 ZINC000911190576 592946122 /nfs/dbraw/zinc/94/61/22/592946122.db2.gz LWNKCJLXXFNUGR-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)[C@@H]3CCCO3)CC2)CC1 ZINC000911190576 592946124 /nfs/dbraw/zinc/94/61/24/592946124.db2.gz LWNKCJLXXFNUGR-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc(C)cc([C@H](C)NC(=O)C(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000911255092 592976146 /nfs/dbraw/zinc/97/61/46/592976146.db2.gz LSXSIDKLGXAVOU-HNNXBMFYSA-N 2 2 346.475 1.020 20 0 EDADLP C[NH+]1CCC(N(CCO)C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000911934996 593038844 /nfs/dbraw/zinc/03/88/44/593038844.db2.gz MQDQCXPZIGAYHN-UHFFFAOYSA-N 2 2 342.443 1.460 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000912301551 593084407 /nfs/dbraw/zinc/08/44/07/593084407.db2.gz QWNLSNVSLNVLJL-UHFFFAOYSA-N 2 2 338.839 1.453 20 0 EDADLP COc1cccc(C(F)(F)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000912386654 593089942 /nfs/dbraw/zinc/08/99/42/593089942.db2.gz GVCXENHTYHWEJG-UHFFFAOYSA-N 2 2 343.418 1.787 20 0 EDADLP COc1cccc(C(F)(F)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000912386654 593089943 /nfs/dbraw/zinc/08/99/43/593089943.db2.gz GVCXENHTYHWEJG-UHFFFAOYSA-N 2 2 343.418 1.787 20 0 EDADLP C[C@@]1(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[NH+]2CCC1CC2 ZINC000912374710 593091302 /nfs/dbraw/zinc/09/13/02/593091302.db2.gz QRMARGPMWWGYFS-GOSISDBHSA-N 2 2 326.400 1.792 20 0 EDADLP C/C(=C\C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000912504978 593101120 /nfs/dbraw/zinc/10/11/20/593101120.db2.gz CJFWJBUXJPMXHX-MAUBAPBLSA-N 2 2 335.492 1.788 20 0 EDADLP C/C(=C\C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000912504978 593101121 /nfs/dbraw/zinc/10/11/21/593101121.db2.gz CJFWJBUXJPMXHX-MAUBAPBLSA-N 2 2 335.492 1.788 20 0 EDADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841100879 593107757 /nfs/dbraw/zinc/10/77/57/593107757.db2.gz MZGNLPBBCGFQFM-HNNXBMFYSA-N 2 2 334.851 1.971 20 0 EDADLP CO[C@@H](C)C[N@@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840082066 593136048 /nfs/dbraw/zinc/13/60/48/593136048.db2.gz YOJMUSSXIPKDTN-BHYGNILZSA-N 2 2 345.443 1.028 20 0 EDADLP CO[C@@H](C)C[NH+](C)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840082066 593136050 /nfs/dbraw/zinc/13/60/50/593136050.db2.gz YOJMUSSXIPKDTN-BHYGNILZSA-N 2 2 345.443 1.028 20 0 EDADLP CO[C@@H](C)C[NH+](C)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840082066 593136051 /nfs/dbraw/zinc/13/60/51/593136051.db2.gz YOJMUSSXIPKDTN-BHYGNILZSA-N 2 2 345.443 1.028 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@]3(CCSC3)C2)C1 ZINC000840145410 593289292 /nfs/dbraw/zinc/28/92/92/593289292.db2.gz QZZJCDNFWCGPCE-YOEHRIQHSA-N 2 2 334.489 1.913 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@]3(CCSC3)C2)C1 ZINC000840145410 593289294 /nfs/dbraw/zinc/28/92/94/593289294.db2.gz QZZJCDNFWCGPCE-YOEHRIQHSA-N 2 2 334.489 1.913 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000839527388 593315754 /nfs/dbraw/zinc/31/57/54/593315754.db2.gz MIQNZVPRCJCZKX-ZWKOTPCHSA-N 2 2 331.460 1.524 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000839527388 593315756 /nfs/dbraw/zinc/31/57/56/593315756.db2.gz MIQNZVPRCJCZKX-ZWKOTPCHSA-N 2 2 331.460 1.524 20 0 EDADLP CC[NH+](CC)CC1CC[NH+](CN2C(=O)c3nccnc3C2=O)CC1 ZINC000840000965 593328777 /nfs/dbraw/zinc/32/87/77/593328777.db2.gz UVAPOONNTODJRN-UHFFFAOYSA-N 2 2 331.420 1.084 20 0 EDADLP Cn1nncc1CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000809995963 593374231 /nfs/dbraw/zinc/37/42/31/593374231.db2.gz ZNLFLPYPLXORSB-UHFFFAOYSA-N 2 2 328.420 1.848 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000810523972 593409491 /nfs/dbraw/zinc/40/94/91/593409491.db2.gz KADKICKGXNTIKY-RHSMWYFYSA-N 2 2 327.444 1.132 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000810523972 593409493 /nfs/dbraw/zinc/40/94/93/593409493.db2.gz KADKICKGXNTIKY-RHSMWYFYSA-N 2 2 327.444 1.132 20 0 EDADLP CC1(C)C(=O)N(C[NH+]2CCC(n3cc[nH+]c3)CC2)[C@@H]1[C@H]1CCCO1 ZINC000811748223 593478530 /nfs/dbraw/zinc/47/85/30/593478530.db2.gz UNECXVXOLHMION-HZPDHXFCSA-N 2 2 332.448 1.894 20 0 EDADLP c1nc(N2CC[NH+](CCCC3CC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000813336969 593527830 /nfs/dbraw/zinc/52/78/30/593527830.db2.gz UJVQHDQVHNHERD-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000815593909 593643683 /nfs/dbraw/zinc/64/36/83/593643683.db2.gz AVLNRXPBHSLLPI-DOTOQJQBSA-N 2 2 349.450 1.718 20 0 EDADLP O=C1CCCN1c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000817897618 593646698 /nfs/dbraw/zinc/64/66/98/593646698.db2.gz UARUJPWBNJMZPS-HKUYNNGSSA-N 2 2 329.444 1.670 20 0 EDADLP O[C@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)COCc1cccs1 ZINC000818947155 593729679 /nfs/dbraw/zinc/72/96/79/593729679.db2.gz KAUAOQUYTVDZHF-OAHLLOKOSA-N 2 2 344.440 1.996 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000819088399 593738353 /nfs/dbraw/zinc/73/83/53/593738353.db2.gz CDMARSDMKQRNMO-YOEHRIQHSA-N 2 2 338.448 1.295 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262343 593970367 /nfs/dbraw/zinc/97/03/67/593970367.db2.gz ZWLIAQVYQRMYEH-PBHICJAKSA-N 2 2 344.463 1.874 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824262343 593970368 /nfs/dbraw/zinc/97/03/68/593970368.db2.gz ZWLIAQVYQRMYEH-PBHICJAKSA-N 2 2 344.463 1.874 20 0 EDADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)C[NH+]1CCOCC1 ZINC000824427014 594008981 /nfs/dbraw/zinc/00/89/81/594008981.db2.gz JRNWASJRHPDZFO-STQMWFEESA-N 2 2 348.426 1.625 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000822758221 594096443 /nfs/dbraw/zinc/09/64/43/594096443.db2.gz LTLSIQRPUXOBOF-CYBMUJFWSA-N 2 2 330.411 1.924 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000822758221 594096445 /nfs/dbraw/zinc/09/64/45/594096445.db2.gz LTLSIQRPUXOBOF-CYBMUJFWSA-N 2 2 330.411 1.924 20 0 EDADLP c1ccc([C@@H](c2nc(N3CC[NH2+]CC3)no2)[NH+]2CCSCC2)cc1 ZINC000823304487 594182913 /nfs/dbraw/zinc/18/29/13/594182913.db2.gz YJVMDZJMFXSSPV-HNNXBMFYSA-N 2 2 345.472 1.617 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1SCCS1 ZINC000823407044 594198581 /nfs/dbraw/zinc/19/85/81/594198581.db2.gz KGLBTAHISQZNDF-UHFFFAOYSA-N 2 2 346.566 1.460 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1SCCS1 ZINC000823407044 594198583 /nfs/dbraw/zinc/19/85/83/594198583.db2.gz KGLBTAHISQZNDF-UHFFFAOYSA-N 2 2 346.566 1.460 20 0 EDADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)n1C ZINC000826065147 594322939 /nfs/dbraw/zinc/32/29/39/594322939.db2.gz UFBCLSZFILPZPS-VXGBXAGGSA-N 2 2 330.354 1.571 20 0 EDADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)n1C ZINC000826065147 594322940 /nfs/dbraw/zinc/32/29/40/594322940.db2.gz UFBCLSZFILPZPS-VXGBXAGGSA-N 2 2 330.354 1.571 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000828142889 594350570 /nfs/dbraw/zinc/35/05/70/594350570.db2.gz VGLLZWWDTIRHCN-MRXNPFEDSA-N 3 2 331.464 1.645 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000828142889 594350574 /nfs/dbraw/zinc/35/05/74/594350574.db2.gz VGLLZWWDTIRHCN-MRXNPFEDSA-N 3 2 331.464 1.645 20 0 EDADLP CC(C)(C)OC(=O)C1(C)CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000830284587 594367662 /nfs/dbraw/zinc/36/76/62/594367662.db2.gz IUOBSOYUBGAEFV-HNNXBMFYSA-N 2 2 326.481 1.887 20 0 EDADLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826192760 594370443 /nfs/dbraw/zinc/37/04/43/594370443.db2.gz ZRFSEPCLZULKDH-OCCSQVGLSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826192760 594370446 /nfs/dbraw/zinc/37/04/46/594370446.db2.gz ZRFSEPCLZULKDH-OCCSQVGLSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826192760 594370448 /nfs/dbraw/zinc/37/04/48/594370448.db2.gz ZRFSEPCLZULKDH-OCCSQVGLSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826192760 594370449 /nfs/dbraw/zinc/37/04/49/594370449.db2.gz ZRFSEPCLZULKDH-OCCSQVGLSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[C@H]([NH3+])C3CC3)CC2)c1 ZINC000826640415 594545053 /nfs/dbraw/zinc/54/50/53/594545053.db2.gz VQGGNJKFWVODQF-KRWDZBQOSA-N 2 2 347.459 1.475 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000826704696 594559998 /nfs/dbraw/zinc/55/99/98/594559998.db2.gz WGXWIONODODZPW-SFHVURJKSA-N 2 2 331.460 1.792 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000826704696 594559999 /nfs/dbraw/zinc/55/99/99/594559999.db2.gz WGXWIONODODZPW-SFHVURJKSA-N 2 2 331.460 1.792 20 0 EDADLP CN(C(=O)NCCCCCC[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000831273681 594596878 /nfs/dbraw/zinc/59/68/78/594596878.db2.gz AGLHKNIPCAUMLD-QGZVFWFLSA-N 3 2 339.528 1.315 20 0 EDADLP CN(C(=O)NCCCCCC[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000831273681 594596881 /nfs/dbraw/zinc/59/68/81/594596881.db2.gz AGLHKNIPCAUMLD-QGZVFWFLSA-N 3 2 339.528 1.315 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000827403236 594668623 /nfs/dbraw/zinc/66/86/23/594668623.db2.gz VSOXUTLPQNFJIM-UHFFFAOYSA-N 2 2 328.416 1.890 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/COc3ccccc3)C2)CC1 ZINC000827414465 594669646 /nfs/dbraw/zinc/66/96/46/594669646.db2.gz VRTWMKXNDULUJQ-JZLODUJNSA-N 2 2 343.471 1.906 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/COc3ccccc3)C2)CC1 ZINC000827414465 594669647 /nfs/dbraw/zinc/66/96/47/594669647.db2.gz VRTWMKXNDULUJQ-JZLODUJNSA-N 2 2 343.471 1.906 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000827455547 594673764 /nfs/dbraw/zinc/67/37/64/594673764.db2.gz CZBFEEBNRWCKNI-UHFFFAOYSA-N 2 2 344.503 1.600 20 0 EDADLP CCO[C@H](CNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)C[NH+](C)C ZINC000831702037 594694057 /nfs/dbraw/zinc/69/40/57/594694057.db2.gz IVPGCDVYWVUQNO-QZTJIDSGSA-N 2 2 349.475 1.352 20 0 EDADLP CCO[C@H](CNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)C[NH+](C)C ZINC000831702037 594694058 /nfs/dbraw/zinc/69/40/58/594694058.db2.gz IVPGCDVYWVUQNO-QZTJIDSGSA-N 2 2 349.475 1.352 20 0 EDADLP CCO[C@@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)C[NH+](C)C ZINC000831750873 594699314 /nfs/dbraw/zinc/69/93/14/594699314.db2.gz AFOVLKXDBUXBHG-SFHVURJKSA-N 2 2 349.475 1.215 20 0 EDADLP CCO[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C[NH+](C)C ZINC000831758043 594700166 /nfs/dbraw/zinc/70/01/66/594700166.db2.gz UXIBNYPBURXESK-KRWDZBQOSA-N 2 2 330.432 1.628 20 0 EDADLP Cc1ccc(N2CC[C@@H]([NH2+]Cc3c[nH+]c(N(C)C)n3C)C2=O)cc1 ZINC000840899643 594825374 /nfs/dbraw/zinc/82/53/74/594825374.db2.gz MROJNNZSZXQEIK-MRXNPFEDSA-N 2 2 327.432 1.690 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C1 ZINC000836515410 594970585 /nfs/dbraw/zinc/97/05/85/594970585.db2.gz BQIUNXDFIMHTGV-CABCVRRESA-N 2 2 335.452 1.470 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)CC[NH2+]1 ZINC000841989246 594996351 /nfs/dbraw/zinc/99/63/51/594996351.db2.gz ZPIJWYHBENQJAX-STQMWFEESA-N 2 2 339.509 1.336 20 0 EDADLP C[C@@H]([NH2+]C1CC1)c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000843198630 595029865 /nfs/dbraw/zinc/02/98/65/595029865.db2.gz MUGGRTNCDDNXIZ-GFCCVEGCSA-N 2 2 328.420 1.696 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843353942 595084570 /nfs/dbraw/zinc/08/45/70/595084570.db2.gz RFJDFIPTSKSHKY-SRVKXCTJSA-N 2 2 331.420 1.655 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843353942 595084576 /nfs/dbraw/zinc/08/45/76/595084576.db2.gz RFJDFIPTSKSHKY-SRVKXCTJSA-N 2 2 331.420 1.655 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000843354901 595085728 /nfs/dbraw/zinc/08/57/28/595085728.db2.gz KHUJKVZZFSEVLY-OAHLLOKOSA-N 2 2 348.491 1.767 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000843354901 595085731 /nfs/dbraw/zinc/08/57/31/595085731.db2.gz KHUJKVZZFSEVLY-OAHLLOKOSA-N 2 2 348.491 1.767 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843365749 595089235 /nfs/dbraw/zinc/08/92/35/595089235.db2.gz QFQXYEWVKXLPGO-LSDHHAIUSA-N 2 2 346.475 1.680 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843365749 595089238 /nfs/dbraw/zinc/08/92/38/595089238.db2.gz QFQXYEWVKXLPGO-LSDHHAIUSA-N 2 2 346.475 1.680 20 0 EDADLP Cc1ccc(N2CC[C@@H]([NH+]3CCN([C@H]4CC[NH2+]C4)CC3)C2=O)cc1 ZINC000843384949 595095647 /nfs/dbraw/zinc/09/56/47/595095647.db2.gz LJYYNEAXAPHQBH-ZWKOTPCHSA-N 2 2 328.460 1.080 20 0 EDADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@@H]1CC[NH3+] ZINC000846226371 595179634 /nfs/dbraw/zinc/17/96/34/595179634.db2.gz LMCVETCRNMSFDS-XHDPSFHLSA-N 2 2 331.420 1.656 20 0 EDADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@@H]1CC[NH3+] ZINC000846226371 595179635 /nfs/dbraw/zinc/17/96/35/595179635.db2.gz LMCVETCRNMSFDS-XHDPSFHLSA-N 2 2 331.420 1.656 20 0 EDADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867411063 595201000 /nfs/dbraw/zinc/20/10/00/595201000.db2.gz IQGVMEOQNNNRFT-NVXWUHKLSA-N 2 2 328.416 1.566 20 0 EDADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867411063 595201003 /nfs/dbraw/zinc/20/10/03/595201003.db2.gz IQGVMEOQNNNRFT-NVXWUHKLSA-N 2 2 328.416 1.566 20 0 EDADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cccc(C[NH+]2CCOCC2)c1 ZINC000834846510 595229190 /nfs/dbraw/zinc/22/91/90/595229190.db2.gz YBMUIRSKDSRGSD-HNNXBMFYSA-N 2 2 339.386 1.246 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000843069654 595279708 /nfs/dbraw/zinc/27/97/08/595279708.db2.gz UDMCRIYCYYLUKX-DZGCQCFKSA-N 2 2 348.365 1.663 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000843069654 595279710 /nfs/dbraw/zinc/27/97/10/595279710.db2.gz UDMCRIYCYYLUKX-DZGCQCFKSA-N 2 2 348.365 1.663 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H](O)c1c(F)cccc1F ZINC000843093626 595286277 /nfs/dbraw/zinc/28/62/77/595286277.db2.gz FYFBCIWBFXMHBU-PVUWLOKVSA-N 2 2 328.403 1.822 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](O)c1c(F)cccc1F ZINC000843093626 595286278 /nfs/dbraw/zinc/28/62/78/595286278.db2.gz FYFBCIWBFXMHBU-PVUWLOKVSA-N 2 2 328.403 1.822 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000844166561 595288892 /nfs/dbraw/zinc/28/88/92/595288892.db2.gz DUHOBPNNXSCULE-WBVHZDCISA-N 2 2 346.406 1.533 20 0 EDADLP Cc1cccn2cc(CC(=O)Nc3cnn(C4CC[NH2+]CC4)c3)[nH+]c12 ZINC000844194382 595299521 /nfs/dbraw/zinc/29/95/21/595299521.db2.gz FZVPITNLZLXASJ-UHFFFAOYSA-N 2 2 338.415 1.945 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000846686535 595301483 /nfs/dbraw/zinc/30/14/83/595301483.db2.gz HAHWDIHILIJARD-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000846837198 595323732 /nfs/dbraw/zinc/32/37/32/595323732.db2.gz YFAJMRQTAULMPT-GFCCVEGCSA-N 2 2 338.433 1.253 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)o1 ZINC000846837198 595323735 /nfs/dbraw/zinc/32/37/35/595323735.db2.gz YFAJMRQTAULMPT-GFCCVEGCSA-N 2 2 338.433 1.253 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000846860461 595328030 /nfs/dbraw/zinc/32/80/30/595328030.db2.gz DQGQDNHXRZDMJJ-GFCCVEGCSA-N 2 2 328.844 1.286 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000846860461 595328032 /nfs/dbraw/zinc/32/80/32/595328032.db2.gz DQGQDNHXRZDMJJ-GFCCVEGCSA-N 2 2 328.844 1.286 20 0 EDADLP CC(C)(C)OC(=O)[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000844693968 595374611 /nfs/dbraw/zinc/37/46/11/595374611.db2.gz FLACDJPDBOZSCK-LSDHHAIUSA-N 2 2 348.447 1.668 20 0 EDADLP CC(C)(C)OC(=O)[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000844693968 595374612 /nfs/dbraw/zinc/37/46/12/595374612.db2.gz FLACDJPDBOZSCK-LSDHHAIUSA-N 2 2 348.447 1.668 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000849325937 595506331 /nfs/dbraw/zinc/50/63/31/595506331.db2.gz YEFRSXJSBMCUIF-KBPBESRZSA-N 2 2 329.485 1.725 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000849325937 595506332 /nfs/dbraw/zinc/50/63/32/595506332.db2.gz YEFRSXJSBMCUIF-KBPBESRZSA-N 2 2 329.485 1.725 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000849325756 595506485 /nfs/dbraw/zinc/50/64/85/595506485.db2.gz RKULWZRQOACHKU-CXAGYDPISA-N 2 2 329.485 1.725 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000849325756 595506486 /nfs/dbraw/zinc/50/64/86/595506486.db2.gz RKULWZRQOACHKU-CXAGYDPISA-N 2 2 329.485 1.725 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cc2ccccc2o1 ZINC000849429125 595525131 /nfs/dbraw/zinc/52/51/31/595525131.db2.gz JJHXKRLABABFAT-UHFFFAOYSA-N 2 2 339.461 1.595 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cc2ccccc2o1 ZINC000849429125 595525132 /nfs/dbraw/zinc/52/51/32/595525132.db2.gz JJHXKRLABABFAT-UHFFFAOYSA-N 2 2 339.461 1.595 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cn1 ZINC000857457396 595530624 /nfs/dbraw/zinc/53/06/24/595530624.db2.gz KKAVGDYCIJQUCL-UHFFFAOYSA-N 2 2 340.418 1.945 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cn1 ZINC000857457396 595530628 /nfs/dbraw/zinc/53/06/28/595530628.db2.gz KKAVGDYCIJQUCL-UHFFFAOYSA-N 2 2 340.418 1.945 20 0 EDADLP C[NH2+]CCC[NH+]1CCC(n2nncc2I)CC1 ZINC000852758509 595530843 /nfs/dbraw/zinc/53/08/43/595530843.db2.gz ASXHLLNPAJQOJH-UHFFFAOYSA-N 2 2 349.220 1.129 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccns2)C1 ZINC000860051919 595558229 /nfs/dbraw/zinc/55/82/29/595558229.db2.gz QDLKNHUCJNPVAX-KBPBESRZSA-N 2 2 340.493 1.267 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccns2)C1 ZINC000860051919 595558231 /nfs/dbraw/zinc/55/82/31/595558231.db2.gz QDLKNHUCJNPVAX-KBPBESRZSA-N 2 2 340.493 1.267 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852872608 595591420 /nfs/dbraw/zinc/59/14/20/595591420.db2.gz IWABRSJEKJAVDQ-ROUUACIJSA-N 2 2 346.475 1.201 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852872608 595591421 /nfs/dbraw/zinc/59/14/21/595591421.db2.gz IWABRSJEKJAVDQ-ROUUACIJSA-N 2 2 346.475 1.201 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852884596 595597814 /nfs/dbraw/zinc/59/78/14/595597814.db2.gz HXDXKBLXSALJBM-IUODEOHRSA-N 2 2 334.395 1.135 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853126652 595673492 /nfs/dbraw/zinc/67/34/92/595673492.db2.gz PHOGOFZNDATCDG-QUCCMNQESA-N 2 2 340.471 1.521 20 0 EDADLP CCON(CC)C(=O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000858223470 595735098 /nfs/dbraw/zinc/73/50/98/595735098.db2.gz SXWHVOQAGHIJCB-UHFFFAOYSA-N 2 2 325.375 1.793 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000853605032 595828107 /nfs/dbraw/zinc/82/81/07/595828107.db2.gz CIIUJIHUQSEKDD-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000853605032 595828111 /nfs/dbraw/zinc/82/81/11/595828111.db2.gz CIIUJIHUQSEKDD-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CCO1 ZINC000853605032 595828113 /nfs/dbraw/zinc/82/81/13/595828113.db2.gz CIIUJIHUQSEKDD-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CCO1 ZINC000853605032 595828116 /nfs/dbraw/zinc/82/81/16/595828116.db2.gz CIIUJIHUQSEKDD-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1Cn1cccn1 ZINC000858600501 595838730 /nfs/dbraw/zinc/83/87/30/595838730.db2.gz WQSRQUONCSOKES-QAPCUYQASA-N 2 2 344.459 1.657 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1Cn1cccn1 ZINC000858600501 595838734 /nfs/dbraw/zinc/83/87/34/595838734.db2.gz WQSRQUONCSOKES-QAPCUYQASA-N 2 2 344.459 1.657 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc(N2CCCC2)cc[nH+]1 ZINC000858685732 595864888 /nfs/dbraw/zinc/86/48/88/595864888.db2.gz FUAQHCXILKYVFK-GOSISDBHSA-N 2 2 347.463 1.105 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1nc(N2CCCC2)cc[nH+]1 ZINC000858685732 595864891 /nfs/dbraw/zinc/86/48/91/595864891.db2.gz FUAQHCXILKYVFK-GOSISDBHSA-N 2 2 347.463 1.105 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000851660150 595872333 /nfs/dbraw/zinc/87/23/33/595872333.db2.gz FCIWMBZETHUPIM-HZPDHXFCSA-N 2 2 331.395 1.504 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000851940884 595978201 /nfs/dbraw/zinc/97/82/01/595978201.db2.gz CWCAEMCHYOXPJY-OAHLLOKOSA-N 2 2 342.447 1.939 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000851940884 595978205 /nfs/dbraw/zinc/97/82/05/595978205.db2.gz CWCAEMCHYOXPJY-OAHLLOKOSA-N 2 2 342.447 1.939 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1C ZINC000852031423 596015281 /nfs/dbraw/zinc/01/52/81/596015281.db2.gz NEVHZVNSKNLHCR-HNNXBMFYSA-N 2 2 348.447 1.323 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NCC(C)C)C2)ccn1 ZINC000856594339 596027006 /nfs/dbraw/zinc/02/70/06/596027006.db2.gz FSLVHSYULNXOGD-SFHVURJKSA-N 2 2 348.491 1.759 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NCC(C)C)C2)ccn1 ZINC000856594339 596027010 /nfs/dbraw/zinc/02/70/10/596027010.db2.gz FSLVHSYULNXOGD-SFHVURJKSA-N 2 2 348.491 1.759 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)NCC(C)C)C2)ccn1 ZINC000856594339 596027012 /nfs/dbraw/zinc/02/70/12/596027012.db2.gz FSLVHSYULNXOGD-SFHVURJKSA-N 2 2 348.491 1.759 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)NCC(C)C)C2)ccn1 ZINC000856594339 596027016 /nfs/dbraw/zinc/02/70/16/596027016.db2.gz FSLVHSYULNXOGD-SFHVURJKSA-N 2 2 348.491 1.759 20 0 EDADLP CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000856596790 596028550 /nfs/dbraw/zinc/02/85/50/596028550.db2.gz LJDJAMSFEAWSDE-KRWDZBQOSA-N 2 2 331.420 1.344 20 0 EDADLP CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000856596790 596028554 /nfs/dbraw/zinc/02/85/54/596028554.db2.gz LJDJAMSFEAWSDE-KRWDZBQOSA-N 2 2 331.420 1.344 20 0 EDADLP CCN(CC[NH3+])C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000861593346 596041065 /nfs/dbraw/zinc/04/10/65/596041065.db2.gz JBBZNYJCCNPJEQ-UHFFFAOYSA-N 2 2 333.480 1.712 20 0 EDADLP CCN(CC[NH3+])C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000861593346 596041069 /nfs/dbraw/zinc/04/10/69/596041069.db2.gz JBBZNYJCCNPJEQ-UHFFFAOYSA-N 2 2 333.480 1.712 20 0 EDADLP O=C(N1C[C@@H]([NH2+]CCn2cc[nH+]c2)Cc2ccccc21)C(F)(F)F ZINC000852452351 596168634 /nfs/dbraw/zinc/16/86/34/596168634.db2.gz VTRVUUWJLJAJBI-ZDUSSCGKSA-N 2 2 338.333 1.993 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000866578110 596257326 /nfs/dbraw/zinc/25/73/26/596257326.db2.gz JLVKRXFDQVTGFI-DYVFJYSZSA-N 2 2 337.489 1.210 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000866578110 596257329 /nfs/dbraw/zinc/25/73/29/596257329.db2.gz JLVKRXFDQVTGFI-DYVFJYSZSA-N 2 2 337.489 1.210 20 0 EDADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000866666958 596284949 /nfs/dbraw/zinc/28/49/49/596284949.db2.gz YYXHGJYWFUZQNB-MSOLQXFVSA-N 2 2 330.476 1.692 20 0 EDADLP CC1(C)CC[C@@H](C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)OC1 ZINC000866666228 596285190 /nfs/dbraw/zinc/28/51/90/596285190.db2.gz NSILDGWYAVSNQN-HNNXBMFYSA-N 2 2 333.480 1.766 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866674208 596288973 /nfs/dbraw/zinc/28/89/73/596288973.db2.gz VJWXGBDEPJVJTH-PBHICJAKSA-N 2 2 334.464 1.946 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866674208 596288977 /nfs/dbraw/zinc/28/89/77/596288977.db2.gz VJWXGBDEPJVJTH-PBHICJAKSA-N 2 2 334.464 1.946 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000868960928 596364295 /nfs/dbraw/zinc/36/42/95/596364295.db2.gz RZBDEPUDBKIBBI-UHFFFAOYSA-N 2 2 348.422 1.585 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870908599 596399547 /nfs/dbraw/zinc/39/95/47/596399547.db2.gz QZMJEEMCUGWBEW-UHFFFAOYSA-N 2 2 330.432 1.697 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000870911065 596400496 /nfs/dbraw/zinc/40/04/96/596400496.db2.gz QNUDXCQBHJGJBW-OABVYQQMSA-N 2 2 335.398 1.954 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000870911065 596400498 /nfs/dbraw/zinc/40/04/98/596400498.db2.gz QNUDXCQBHJGJBW-OABVYQQMSA-N 2 2 335.398 1.954 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000870980155 596427762 /nfs/dbraw/zinc/42/77/62/596427762.db2.gz XSOJVZNHRQTIFZ-OALUTQOASA-N 2 2 345.487 1.844 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000870980155 596427765 /nfs/dbraw/zinc/42/77/65/596427765.db2.gz XSOJVZNHRQTIFZ-OALUTQOASA-N 2 2 345.487 1.844 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(C)c3[nH+]cccc3C2)C1(C)C ZINC000871019612 596439983 /nfs/dbraw/zinc/43/99/83/596439983.db2.gz ALVCRYUMLAEHRZ-KSSFIOAISA-N 2 2 332.448 1.393 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000869402276 596512947 /nfs/dbraw/zinc/51/29/47/596512947.db2.gz GFWYSDIAMGYPHV-MSOLQXFVSA-N 2 2 342.443 1.812 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000869402276 596512950 /nfs/dbraw/zinc/51/29/50/596512950.db2.gz GFWYSDIAMGYPHV-MSOLQXFVSA-N 2 2 342.443 1.812 20 0 EDADLP CCOCCCNC(=S)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000865254259 596525289 /nfs/dbraw/zinc/52/52/89/596525289.db2.gz VHTIRAHNONMAAK-UHFFFAOYSA-N 2 2 337.493 1.546 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865458539 596581903 /nfs/dbraw/zinc/58/19/03/596581903.db2.gz JKGPLWXFVNCGJA-SWKXRBFHSA-N 2 2 338.496 1.221 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865458539 596581904 /nfs/dbraw/zinc/58/19/04/596581904.db2.gz JKGPLWXFVNCGJA-SWKXRBFHSA-N 2 2 338.496 1.221 20 0 EDADLP c1c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nnn1C[C@@H]1CCOC1 ZINC000865462329 596582381 /nfs/dbraw/zinc/58/23/81/596582381.db2.gz KIRBDWBCYJVCQW-YJBOKZPZSA-N 2 2 349.479 1.048 20 0 EDADLP C[C@@H](C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCOCC1 ZINC000865469989 596584603 /nfs/dbraw/zinc/58/46/03/596584603.db2.gz CMIOSTUKOHIZQI-JKSUJKDBSA-N 2 2 341.496 1.944 20 0 EDADLP Cn1cncc1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865572334 596614884 /nfs/dbraw/zinc/61/48/84/596614884.db2.gz NGSPQJJCLAIIJN-UHFFFAOYSA-N 2 2 330.432 1.421 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000869761391 596621012 /nfs/dbraw/zinc/62/10/12/596621012.db2.gz NDMGOOVSGUPPAW-MRXNPFEDSA-N 2 2 334.464 1.262 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869814866 596646091 /nfs/dbraw/zinc/64/60/91/596646091.db2.gz JZDVWRYFRZHVNI-QGZVFWFLSA-N 2 2 329.444 1.052 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869814866 596646094 /nfs/dbraw/zinc/64/60/94/596646094.db2.gz JZDVWRYFRZHVNI-QGZVFWFLSA-N 2 2 329.444 1.052 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867997937 596648363 /nfs/dbraw/zinc/64/83/63/596648363.db2.gz MPHLFUQIGNLPLK-OTWHNJEPSA-N 2 2 345.487 1.700 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000867997937 596648367 /nfs/dbraw/zinc/64/83/67/596648367.db2.gz MPHLFUQIGNLPLK-OTWHNJEPSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CC[NH2+]C3CC3)C2)cc1 ZINC000867998004 596648657 /nfs/dbraw/zinc/64/86/57/596648657.db2.gz NWNBSXZJHKHVEW-GOSISDBHSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CC[NH2+]C3CC3)C2)cc1 ZINC000867998004 596648659 /nfs/dbraw/zinc/64/86/59/596648659.db2.gz NWNBSXZJHKHVEW-GOSISDBHSA-N 2 2 331.460 1.454 20 0 EDADLP O=C1OC[C@@]2(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)COCCN12 ZINC000865769570 596675770 /nfs/dbraw/zinc/67/57/70/596675770.db2.gz BKNPHCOJCJGTLX-OAHLLOKOSA-N 2 2 334.401 1.245 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccnn1C ZINC000865837251 596699568 /nfs/dbraw/zinc/69/95/68/596699568.db2.gz BQNOMKTZURRATJ-INIZCTEOSA-N 2 2 344.459 1.982 20 0 EDADLP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000868180200 596713551 /nfs/dbraw/zinc/71/35/51/596713551.db2.gz METWPTKOEKABSK-JKSUJKDBSA-N 2 2 330.432 1.488 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1)[C@H]1CCSC1 ZINC000870084722 596742068 /nfs/dbraw/zinc/74/20/68/596742068.db2.gz DRUJPWLBSIXFET-HOCLYGCPSA-N 2 2 335.473 1.302 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1)[C@H]1CCSC1 ZINC000870084722 596742070 /nfs/dbraw/zinc/74/20/70/596742070.db2.gz DRUJPWLBSIXFET-HOCLYGCPSA-N 2 2 335.473 1.302 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH2+][C@H](c3ccc(O)cc3)C1)CC2 ZINC000870091093 596746170 /nfs/dbraw/zinc/74/61/70/596746170.db2.gz OPMRUKQTUKZVLV-YJBOKZPZSA-N 2 2 340.427 1.633 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866026150 596763772 /nfs/dbraw/zinc/76/37/72/596763772.db2.gz RZJIUPYKBMATAW-PBHICJAKSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866026150 596763774 /nfs/dbraw/zinc/76/37/74/596763774.db2.gz RZJIUPYKBMATAW-PBHICJAKSA-N 2 2 328.416 1.566 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC[NH2+]2)cc1 ZINC000870142710 596769159 /nfs/dbraw/zinc/76/91/59/596769159.db2.gz MPPOEOXEWHQKFV-RDJZCZTQSA-N 2 2 349.500 1.605 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC[NH2+]2)cc1 ZINC000870142710 596769162 /nfs/dbraw/zinc/76/91/62/596769162.db2.gz MPPOEOXEWHQKFV-RDJZCZTQSA-N 2 2 349.500 1.605 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C[C@H]1C(F)(F)F ZINC000872149728 596812797 /nfs/dbraw/zinc/81/27/97/596812797.db2.gz PTIWIQPCPCXVQE-MRVWCRGKSA-N 2 2 333.398 1.989 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C[C@H]1C(F)(F)F ZINC000872149728 596812799 /nfs/dbraw/zinc/81/27/99/596812799.db2.gz PTIWIQPCPCXVQE-MRVWCRGKSA-N 2 2 333.398 1.989 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000872154465 596815081 /nfs/dbraw/zinc/81/50/81/596815081.db2.gz QQCONDGHRQHMAL-AWEZNQCLSA-N 2 2 328.478 1.493 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000872154465 596815082 /nfs/dbraw/zinc/81/50/82/596815082.db2.gz QQCONDGHRQHMAL-AWEZNQCLSA-N 2 2 328.478 1.493 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2=O)c1 ZINC000872154411 596815147 /nfs/dbraw/zinc/81/51/47/596815147.db2.gz ZEVBYRLDHCHMGM-SOVGHPHASA-N 2 2 345.443 1.350 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2=O)c1 ZINC000872154411 596815148 /nfs/dbraw/zinc/81/51/48/596815148.db2.gz ZEVBYRLDHCHMGM-SOVGHPHASA-N 2 2 345.443 1.350 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@H]1n1cc[nH+]c1 ZINC000872193537 596829373 /nfs/dbraw/zinc/82/93/73/596829373.db2.gz ZDHVEGXYLBEHPD-HZPDHXFCSA-N 2 2 349.479 1.270 20 0 EDADLP O[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000872215258 596839320 /nfs/dbraw/zinc/83/93/20/596839320.db2.gz VLQUHRXCUBOUPI-RTBURBONSA-N 2 2 327.428 1.342 20 0 EDADLP O[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000872215258 596839323 /nfs/dbraw/zinc/83/93/23/596839323.db2.gz VLQUHRXCUBOUPI-RTBURBONSA-N 2 2 327.428 1.342 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cnn(CC3CCCC3)c2)CC1 ZINC000866354354 596864654 /nfs/dbraw/zinc/86/46/54/596864654.db2.gz ZIVSYLGFLWPHON-UHFFFAOYSA-N 2 2 347.507 1.829 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c2ccccc2C1 ZINC000866413966 596880404 /nfs/dbraw/zinc/88/04/04/596880404.db2.gz XPHCCJVOVZHGGK-HKUYNNGSSA-N 2 2 345.487 1.915 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c2ccccc2C1 ZINC000866413966 596880405 /nfs/dbraw/zinc/88/04/05/596880405.db2.gz XPHCCJVOVZHGGK-HKUYNNGSSA-N 2 2 345.487 1.915 20 0 EDADLP CCC(CC)[C@@H](CNC(=S)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000874072447 596917009 /nfs/dbraw/zinc/91/70/09/596917009.db2.gz RADJAQBHPPREOY-OAHLLOKOSA-N 2 2 330.542 1.149 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)[NH+]1CCSCC1 ZINC000124910420 596982704 /nfs/dbraw/zinc/98/27/04/596982704.db2.gz RFLBTZJMNYJPGR-HNNXBMFYSA-N 2 2 348.516 1.814 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cncc1F ZINC000874467827 597092900 /nfs/dbraw/zinc/09/29/00/597092900.db2.gz AKZXSIBEZYKQSV-UHFFFAOYSA-N 2 2 326.391 1.458 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cncc1F ZINC000874467827 597092902 /nfs/dbraw/zinc/09/29/02/597092902.db2.gz AKZXSIBEZYKQSV-UHFFFAOYSA-N 2 2 326.391 1.458 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000874466813 597093226 /nfs/dbraw/zinc/09/32/26/597093226.db2.gz VOSALAHIQUXFEW-MRXNPFEDSA-N 2 2 335.496 1.395 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000874466813 597093230 /nfs/dbraw/zinc/09/32/30/597093230.db2.gz VOSALAHIQUXFEW-MRXNPFEDSA-N 2 2 335.496 1.395 20 0 EDADLP Cc1nccnc1[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000872901264 597116705 /nfs/dbraw/zinc/11/67/05/597116705.db2.gz IHISPRYULSMRHK-CABCVRRESA-N 2 2 346.479 1.314 20 0 EDADLP Cc1nccnc1[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000872901264 597116706 /nfs/dbraw/zinc/11/67/06/597116706.db2.gz IHISPRYULSMRHK-CABCVRRESA-N 2 2 346.479 1.314 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000876205048 597135219 /nfs/dbraw/zinc/13/52/19/597135219.db2.gz RKTXQMOLPNBQTE-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000876205048 597135222 /nfs/dbraw/zinc/13/52/22/597135222.db2.gz RKTXQMOLPNBQTE-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876208613 597138091 /nfs/dbraw/zinc/13/80/91/597138091.db2.gz RUKJDVMPDCXMSW-KRWDZBQOSA-N 2 2 332.448 1.147 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876208613 597138092 /nfs/dbraw/zinc/13/80/92/597138092.db2.gz RUKJDVMPDCXMSW-KRWDZBQOSA-N 2 2 332.448 1.147 20 0 EDADLP O=C(CN1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1)N1CCCC1 ZINC000873201832 597225574 /nfs/dbraw/zinc/22/55/74/597225574.db2.gz YPJKOLMLEWDRGE-UHFFFAOYSA-N 2 2 348.516 1.134 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000874994084 597235450 /nfs/dbraw/zinc/23/54/50/597235450.db2.gz MALPLXWFUVCLAP-HUUCEWRRSA-N 2 2 338.452 1.292 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000874994084 597235451 /nfs/dbraw/zinc/23/54/51/597235451.db2.gz MALPLXWFUVCLAP-HUUCEWRRSA-N 2 2 338.452 1.292 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C[N@@H+]1C1CC1 ZINC000873247066 597238480 /nfs/dbraw/zinc/23/84/80/597238480.db2.gz HSYXOQXBTZQLMT-HIFRSBDPSA-N 3 2 326.448 1.441 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C[N@H+]1C1CC1 ZINC000873247066 597238483 /nfs/dbraw/zinc/23/84/83/597238483.db2.gz HSYXOQXBTZQLMT-HIFRSBDPSA-N 3 2 326.448 1.441 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCCCC1 ZINC000875020794 597247410 /nfs/dbraw/zinc/24/74/10/597247410.db2.gz UJUNBNUBNGVZIZ-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1CCCCC1 ZINC000875020794 597247411 /nfs/dbraw/zinc/24/74/11/597247411.db2.gz UJUNBNUBNGVZIZ-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000875020792 597247437 /nfs/dbraw/zinc/24/74/37/597247437.db2.gz UGHOWCBYZYGMFM-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000875020792 597247439 /nfs/dbraw/zinc/24/74/39/597247439.db2.gz UGHOWCBYZYGMFM-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)cc2C1 ZINC000873333917 597259812 /nfs/dbraw/zinc/25/98/12/597259812.db2.gz NOLLRLHLBCHPLF-OAHLLOKOSA-N 2 2 340.431 1.165 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)cc2C1 ZINC000873333917 597259816 /nfs/dbraw/zinc/25/98/16/597259816.db2.gz NOLLRLHLBCHPLF-OAHLLOKOSA-N 2 2 340.431 1.165 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3c(C[NH3+])cnn3C)n2)C1 ZINC000876709090 597297284 /nfs/dbraw/zinc/29/72/84/597297284.db2.gz IRBOODFLTYHDQF-LLVKDONJSA-N 2 2 348.476 1.820 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c(C[NH3+])cnn3C)n2)C1 ZINC000876709090 597297285 /nfs/dbraw/zinc/29/72/85/597297285.db2.gz IRBOODFLTYHDQF-LLVKDONJSA-N 2 2 348.476 1.820 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876712352 597299378 /nfs/dbraw/zinc/29/93/78/597299378.db2.gz PBTLBNIPODBWIY-WBVHZDCISA-N 2 2 335.423 1.083 20 0 EDADLP Cn1ncc2cc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cnc21 ZINC000876715567 597301365 /nfs/dbraw/zinc/30/13/65/597301365.db2.gz PJBQHLVJKAINAI-QGZVFWFLSA-N 2 2 328.464 1.180 20 0 EDADLP Cn1ncc2cc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cnc21 ZINC000876715567 597301368 /nfs/dbraw/zinc/30/13/68/597301368.db2.gz PJBQHLVJKAINAI-QGZVFWFLSA-N 2 2 328.464 1.180 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000876757054 597325335 /nfs/dbraw/zinc/32/53/35/597325335.db2.gz AVLYCCBGGLNZNE-DZGCQCFKSA-N 2 2 325.478 1.639 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000876757054 597325340 /nfs/dbraw/zinc/32/53/40/597325340.db2.gz AVLYCCBGGLNZNE-DZGCQCFKSA-N 2 2 325.478 1.639 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000876757054 597325345 /nfs/dbraw/zinc/32/53/45/597325345.db2.gz AVLYCCBGGLNZNE-DZGCQCFKSA-N 2 2 325.478 1.639 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000876757054 597325350 /nfs/dbraw/zinc/32/53/50/597325350.db2.gz AVLYCCBGGLNZNE-DZGCQCFKSA-N 2 2 325.478 1.639 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH+](CC)CC1 ZINC000875204102 597329776 /nfs/dbraw/zinc/32/97/76/597329776.db2.gz MVPRDNPXTMSMTH-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH+](CC)CC1 ZINC000875204102 597329781 /nfs/dbraw/zinc/32/97/81/597329781.db2.gz MVPRDNPXTMSMTH-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000124614787 597344123 /nfs/dbraw/zinc/34/41/23/597344123.db2.gz OVANIIWGXYGXBI-HRBLRVMOSA-N 2 2 334.508 1.445 20 0 EDADLP CC[C@@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000124614787 597344126 /nfs/dbraw/zinc/34/41/26/597344126.db2.gz OVANIIWGXYGXBI-HRBLRVMOSA-N 2 2 334.508 1.445 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)cc(C)[nH+]1 ZINC000875420259 597420958 /nfs/dbraw/zinc/42/09/58/597420958.db2.gz UEZWSHNMADWZSW-UHFFFAOYSA-N 2 2 346.475 1.694 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000877249546 597479600 /nfs/dbraw/zinc/47/96/00/597479600.db2.gz XNVUIYDAPBUMBU-NJAFHUGGSA-N 2 2 333.476 1.685 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000877249546 597479603 /nfs/dbraw/zinc/47/96/03/597479603.db2.gz XNVUIYDAPBUMBU-NJAFHUGGSA-N 2 2 333.476 1.685 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)Cc1ncc(C[NH+](C)C)s1 ZINC000877766368 597554081 /nfs/dbraw/zinc/55/40/81/597554081.db2.gz ZYKWDSNDGDGFMR-UHFFFAOYSA-N 2 2 338.521 1.749 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccccc2O)o1 ZINC000878318013 597594971 /nfs/dbraw/zinc/59/49/71/597594971.db2.gz XILBGYSGYGMQQE-UHFFFAOYSA-N 2 2 345.447 1.512 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(-c2ccccc2O)o1 ZINC000878318013 597594972 /nfs/dbraw/zinc/59/49/72/597594972.db2.gz XILBGYSGYGMQQE-UHFFFAOYSA-N 2 2 345.447 1.512 20 0 EDADLP O[C@H](C[C@H](O)c1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878551897 597631925 /nfs/dbraw/zinc/63/19/25/597631925.db2.gz JZQRKFXJURCKTG-ZCNNSNEGSA-N 2 2 348.487 1.658 20 0 EDADLP O[C@H](C[C@H](O)c1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878551897 597631928 /nfs/dbraw/zinc/63/19/28/597631928.db2.gz JZQRKFXJURCKTG-ZCNNSNEGSA-N 2 2 348.487 1.658 20 0 EDADLP CC1(C)C[C@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000879618173 597660292 /nfs/dbraw/zinc/66/02/92/597660292.db2.gz SGGACEWVSYCEIA-SFHVURJKSA-N 2 2 345.487 1.424 20 0 EDADLP CC1(C)C[C@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000879618173 597660295 /nfs/dbraw/zinc/66/02/95/597660295.db2.gz SGGACEWVSYCEIA-SFHVURJKSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN1c1cc[nH+]cc1 ZINC000881632926 597665880 /nfs/dbraw/zinc/66/58/80/597665880.db2.gz GLRKSANIQOMNCF-HUUCEWRRSA-N 2 2 325.416 1.578 20 0 EDADLP CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878663416 597671096 /nfs/dbraw/zinc/67/10/96/597671096.db2.gz IDWMEAJOYREVBR-HKUYNNGSSA-N 2 2 347.459 1.396 20 0 EDADLP CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878663416 597671097 /nfs/dbraw/zinc/67/10/97/597671097.db2.gz IDWMEAJOYREVBR-HKUYNNGSSA-N 2 2 347.459 1.396 20 0 EDADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000878663416 597671098 /nfs/dbraw/zinc/67/10/98/597671098.db2.gz IDWMEAJOYREVBR-HKUYNNGSSA-N 2 2 347.459 1.396 20 0 EDADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000878663416 597671099 /nfs/dbraw/zinc/67/10/99/597671099.db2.gz IDWMEAJOYREVBR-HKUYNNGSSA-N 2 2 347.459 1.396 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131170753 597679746 /nfs/dbraw/zinc/67/97/46/597679746.db2.gz PGROAJFFUBSNLG-QZTJIDSGSA-N 2 2 331.460 1.443 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131170753 597679751 /nfs/dbraw/zinc/67/97/51/597679751.db2.gz PGROAJFFUBSNLG-QZTJIDSGSA-N 2 2 331.460 1.443 20 0 EDADLP Clc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000883372247 597726303 /nfs/dbraw/zinc/72/63/03/597726303.db2.gz TTWXLQBNGRFTNQ-INIZCTEOSA-N 2 2 338.883 1.621 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142752 597855578 /nfs/dbraw/zinc/85/55/78/597855578.db2.gz UESIJMXBAXQFCM-DLBZAZTESA-N 2 2 343.427 1.773 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142752 597855582 /nfs/dbraw/zinc/85/55/82/597855582.db2.gz UESIJMXBAXQFCM-DLBZAZTESA-N 2 2 343.427 1.773 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142752 597855585 /nfs/dbraw/zinc/85/55/85/597855585.db2.gz UESIJMXBAXQFCM-DLBZAZTESA-N 2 2 343.427 1.773 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCON1C(=O)c2ccccc2C1=O ZINC000880142752 597855587 /nfs/dbraw/zinc/85/55/87/597855587.db2.gz UESIJMXBAXQFCM-DLBZAZTESA-N 2 2 343.427 1.773 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880236122 597879225 /nfs/dbraw/zinc/87/92/25/597879225.db2.gz VMVNAPBIIIDQKK-HOTGVXAUSA-N 2 2 334.439 1.800 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CF)C1 ZINC000880236122 597879226 /nfs/dbraw/zinc/87/92/26/597879226.db2.gz VMVNAPBIIIDQKK-HOTGVXAUSA-N 2 2 334.439 1.800 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000880249471 597881923 /nfs/dbraw/zinc/88/19/23/597881923.db2.gz DFTNFEZDDXYUAI-SFHVURJKSA-N 2 2 344.503 1.529 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261061 597886328 /nfs/dbraw/zinc/88/63/28/597886328.db2.gz HJCXDBOPGYGDDU-GJZGRUSLSA-N 2 2 347.463 1.462 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261061 597886330 /nfs/dbraw/zinc/88/63/30/597886330.db2.gz HJCXDBOPGYGDDU-GJZGRUSLSA-N 2 2 347.463 1.462 20 0 EDADLP CC1([NH+]2CCC2)CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000880472557 597940453 /nfs/dbraw/zinc/94/04/53/597940453.db2.gz SPEJGMQNSSAIJF-UHFFFAOYSA-N 2 2 326.448 1.765 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571887 597967645 /nfs/dbraw/zinc/96/76/45/597967645.db2.gz VAQVQBRGOKEJGE-DZGCQCFKSA-N 2 2 329.404 1.448 20 0 EDADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000882486738 597973648 /nfs/dbraw/zinc/97/36/48/597973648.db2.gz VNVITMMJWCWZHT-AEFFLSMTSA-N 2 2 331.460 1.395 20 0 EDADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000882486738 597973650 /nfs/dbraw/zinc/97/36/50/597973650.db2.gz VNVITMMJWCWZHT-AEFFLSMTSA-N 2 2 331.460 1.395 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc[nH+]1 ZINC000880607426 597979643 /nfs/dbraw/zinc/97/96/43/597979643.db2.gz OGOUDHCGNVDKJD-UHFFFAOYSA-N 2 2 346.479 1.391 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884223132 598034616 /nfs/dbraw/zinc/03/46/16/598034616.db2.gz IXPBNGLDHYXPPZ-UHFFFAOYSA-N 2 2 336.399 1.069 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000884279671 598053269 /nfs/dbraw/zinc/05/32/69/598053269.db2.gz QSNQUEPBTXOWKU-CABCVRRESA-N 2 2 340.431 1.513 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884312934 598062958 /nfs/dbraw/zinc/06/29/58/598062958.db2.gz RSGNCQXQVSLVSC-IYBDPMFKSA-N 2 2 349.475 1.466 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884312934 598062961 /nfs/dbraw/zinc/06/29/61/598062961.db2.gz RSGNCQXQVSLVSC-IYBDPMFKSA-N 2 2 349.475 1.466 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CC3CC3)cc2)CC1 ZINC000884323037 598066934 /nfs/dbraw/zinc/06/69/34/598066934.db2.gz CHEDLSOTNYMZPX-GOSISDBHSA-N 2 2 344.459 1.417 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000884401312 598093987 /nfs/dbraw/zinc/09/39/87/598093987.db2.gz LCUPDUDWGLCDSP-CABCVRRESA-N 2 2 335.448 1.124 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000884401312 598093991 /nfs/dbraw/zinc/09/39/91/598093991.db2.gz LCUPDUDWGLCDSP-CABCVRRESA-N 2 2 335.448 1.124 20 0 EDADLP COc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1 ZINC000939861594 699985323 /nfs/dbraw/zinc/98/53/23/699985323.db2.gz QYGSYWJDJVFZRP-CRAIPNDOSA-N 2 2 342.443 1.571 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939856197 699994783 /nfs/dbraw/zinc/99/47/83/699994783.db2.gz KJXFGULOFZLVLK-MLGOLLRUSA-N 2 2 329.404 1.385 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000914342231 695366795 /nfs/dbraw/zinc/36/67/95/695366795.db2.gz XAXWMCYDNRGJEZ-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000914342231 695366798 /nfs/dbraw/zinc/36/67/98/695366798.db2.gz XAXWMCYDNRGJEZ-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)sc1C ZINC000939857421 699996402 /nfs/dbraw/zinc/99/64/02/699996402.db2.gz SNHXKAPGOWHLNQ-BXUZGUMPSA-N 2 2 333.461 1.593 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)s1 ZINC000939855265 699993173 /nfs/dbraw/zinc/99/31/73/699993173.db2.gz CIGVJSLRFYJBTB-FZMZJTMJSA-N 2 2 333.461 1.593 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992859182 695418166 /nfs/dbraw/zinc/41/81/66/695418166.db2.gz MKAKVGNTAXUZAB-VNQPRFMTSA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccccn3)[C@H]2C1 ZINC000992925061 695456835 /nfs/dbraw/zinc/45/68/35/695456835.db2.gz OIOSTBZINQTBQW-SZMVWBNQSA-N 2 2 339.443 1.695 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)CC1 ZINC001031188356 695705934 /nfs/dbraw/zinc/70/59/34/695705934.db2.gz JRIKBWADDBFIML-QGZVFWFLSA-N 2 2 337.508 1.722 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCNc1cccc(C)[nH+]1 ZINC000915656972 695964235 /nfs/dbraw/zinc/96/42/35/695964235.db2.gz GJSMNGRZFUCAGN-CYBMUJFWSA-N 2 2 330.436 1.942 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000915826656 696029894 /nfs/dbraw/zinc/02/98/94/696029894.db2.gz BELZGYOXZHKVAG-HJOIGYKYSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)CCO1 ZINC000915826656 696029897 /nfs/dbraw/zinc/02/98/97/696029897.db2.gz BELZGYOXZHKVAG-HJOIGYKYSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccns2)[C@H]1C ZINC000994420921 696842384 /nfs/dbraw/zinc/84/23/84/696842384.db2.gz LPKMXXMNOGKPKF-SWLSCSKDSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccns2)[C@H]1C ZINC000994420921 696842387 /nfs/dbraw/zinc/84/23/87/696842387.db2.gz LPKMXXMNOGKPKF-SWLSCSKDSA-N 2 2 333.461 1.817 20 0 EDADLP CCc1ccc([C@@H](O)C[NH+]2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031385982 697001754 /nfs/dbraw/zinc/00/17/54/697001754.db2.gz SSXBIBMSKFCFOW-AEFFLSMTSA-N 2 2 331.460 1.035 20 0 EDADLP CCc1ccc([C@@H](O)C[NH+]2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031385982 697001757 /nfs/dbraw/zinc/00/17/57/697001757.db2.gz SSXBIBMSKFCFOW-AEFFLSMTSA-N 2 2 331.460 1.035 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031385105 697004559 /nfs/dbraw/zinc/00/45/59/697004559.db2.gz UTBTWJHUPNGHRB-INIZCTEOSA-N 2 2 331.460 1.434 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031385105 697004562 /nfs/dbraw/zinc/00/45/62/697004562.db2.gz UTBTWJHUPNGHRB-INIZCTEOSA-N 2 2 331.460 1.434 20 0 EDADLP COc1ccc(CC[NH+]2CC(NC(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC001031390058 697011754 /nfs/dbraw/zinc/01/17/54/697011754.db2.gz GPWSTMOAYGTJIA-UHFFFAOYSA-N 2 2 328.416 1.243 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCc3ccccc3)C2)C1 ZINC001031414210 697061928 /nfs/dbraw/zinc/06/19/28/697061928.db2.gz HBXSTEQRRDPSBT-SFHVURJKSA-N 2 2 331.460 1.140 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCc3ccccc3)C2)C1 ZINC001031414210 697061929 /nfs/dbraw/zinc/06/19/29/697061929.db2.gz HBXSTEQRRDPSBT-SFHVURJKSA-N 2 2 331.460 1.140 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+]([C@@H](C)c3ccccc3C)C2)C1 ZINC001031418198 697066542 /nfs/dbraw/zinc/06/65/42/697066542.db2.gz IQWIFFNAYGTWGR-MAUKXSAKSA-N 2 2 331.460 1.577 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+]([C@@H](C)c3ccccc3C)C2)C1 ZINC001031418198 697066544 /nfs/dbraw/zinc/06/65/44/697066544.db2.gz IQWIFFNAYGTWGR-MAUKXSAKSA-N 2 2 331.460 1.577 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC000918846033 697215843 /nfs/dbraw/zinc/21/58/43/697215843.db2.gz PLJPUTNQEUCZGH-UHFFFAOYSA-N 2 2 336.461 1.421 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031579171 697274978 /nfs/dbraw/zinc/27/49/78/697274978.db2.gz CLGNROXDILUTFL-AWEZNQCLSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031579171 697274979 /nfs/dbraw/zinc/27/49/79/697274979.db2.gz CLGNROXDILUTFL-AWEZNQCLSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000995033410 700151111 /nfs/dbraw/zinc/15/11/11/700151111.db2.gz AGBIRHWLSVCLHO-CABCVRRESA-N 2 2 331.420 1.563 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000921427165 697603618 /nfs/dbraw/zinc/60/36/18/697603618.db2.gz YXZIVXATCOIMIW-SJORKVTESA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000921427165 697603619 /nfs/dbraw/zinc/60/36/19/697603619.db2.gz YXZIVXATCOIMIW-SJORKVTESA-N 2 2 340.512 1.374 20 0 EDADLP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083214 700177714 /nfs/dbraw/zinc/17/77/14/700177714.db2.gz JRTVAPPCCLJMOU-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943285413 698043286 /nfs/dbraw/zinc/04/32/86/698043286.db2.gz ADHBWGGSUVMBMY-PBHICJAKSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943285413 698043292 /nfs/dbraw/zinc/04/32/92/698043292.db2.gz ADHBWGGSUVMBMY-PBHICJAKSA-N 2 2 334.464 1.733 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccccn2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032080369 698254306 /nfs/dbraw/zinc/25/43/06/698254306.db2.gz SHTFHPJCXHZKFZ-UHFFFAOYSA-N 2 2 348.410 1.524 20 0 EDADLP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001031744655 698345189 /nfs/dbraw/zinc/34/51/89/698345189.db2.gz MMELZKCSWLBURH-NUJGCVRESA-N 2 2 346.475 1.766 20 0 EDADLP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001031744655 698345193 /nfs/dbraw/zinc/34/51/93/698345193.db2.gz MMELZKCSWLBURH-NUJGCVRESA-N 2 2 346.475 1.766 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccon3)C[C@@H]2C)CC1 ZINC000943755258 698827788 /nfs/dbraw/zinc/82/77/88/698827788.db2.gz AUJSOLYHNDGKAF-RDJZCZTQSA-N 2 2 334.464 1.733 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccon3)C[C@@H]2C)CC1 ZINC000943755258 698827792 /nfs/dbraw/zinc/82/77/92/698827792.db2.gz AUJSOLYHNDGKAF-RDJZCZTQSA-N 2 2 334.464 1.733 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943877497 698983439 /nfs/dbraw/zinc/98/34/39/698983439.db2.gz NXKAGOOMEMZYHY-CRAIPNDOSA-N 2 2 342.443 1.959 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943877497 698983441 /nfs/dbraw/zinc/98/34/41/698983441.db2.gz NXKAGOOMEMZYHY-CRAIPNDOSA-N 2 2 342.443 1.959 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766366 699060850 /nfs/dbraw/zinc/06/08/50/699060850.db2.gz HEILHVIGPKJLHA-ZBFHGGJFSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766366 699060853 /nfs/dbraw/zinc/06/08/53/699060853.db2.gz HEILHVIGPKJLHA-ZBFHGGJFSA-N 2 2 334.489 1.708 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)o1 ZINC000995156980 701567601 /nfs/dbraw/zinc/56/76/01/701567601.db2.gz YGDNVXUPFYFTJA-ZIAGYGMSSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1C[NH+](C[C@H]3CCCOC3)C1)C2 ZINC001031787774 699244928 /nfs/dbraw/zinc/24/49/28/699244928.db2.gz FOXDPMCOGFQABC-GDBMZVCRSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1C[NH+](C[C@H]3CCCOC3)C1)CC2 ZINC001031787774 699244933 /nfs/dbraw/zinc/24/49/33/699244933.db2.gz FOXDPMCOGFQABC-GDBMZVCRSA-N 2 2 346.475 1.298 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000939216079 699388073 /nfs/dbraw/zinc/38/80/73/699388073.db2.gz RNFHPJMQIBQYHL-CZUORRHYSA-N 2 2 342.447 1.050 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C)o1 ZINC000939236042 699404627 /nfs/dbraw/zinc/40/46/27/699404627.db2.gz NKSVAFAQZNYTBV-XJKSGUPXSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1nonc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939237994 699407880 /nfs/dbraw/zinc/40/78/80/699407880.db2.gz YEQWOIRNWKEAAW-DOMZBBRYSA-N 2 2 346.435 1.335 20 0 EDADLP Cc1cccnc1C[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817192 699520549 /nfs/dbraw/zinc/52/05/49/699520549.db2.gz SXEZAUQCXDFPPI-UHFFFAOYSA-N 2 2 335.411 1.900 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939410148 699564360 /nfs/dbraw/zinc/56/43/60/699564360.db2.gz YBRNHQRJXMATNB-GUYCJALGSA-N 2 2 340.427 1.619 20 0 EDADLP COCc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1 ZINC000939412006 699565437 /nfs/dbraw/zinc/56/54/37/699565437.db2.gz GFWXDRIQNSDFPO-WMLDXEAASA-N 2 2 342.443 1.735 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939533889 699672175 /nfs/dbraw/zinc/67/21/75/699672175.db2.gz FTEOJEJPMYRWMY-PXAZEXFGSA-N 2 2 343.431 1.465 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939534566 699675589 /nfs/dbraw/zinc/67/55/89/699675589.db2.gz LSYLPRBXIOLGIN-WFASDCNBSA-N 2 2 347.850 1.648 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)n1 ZINC000939536237 699677063 /nfs/dbraw/zinc/67/70/63/699677063.db2.gz USMGFWWQGWONBA-BBRMVZONSA-N 2 2 343.431 1.003 20 0 EDADLP Cc1ncsc1CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939536573 699677632 /nfs/dbraw/zinc/67/76/32/699677632.db2.gz WWABVVHRZBQNOG-DOMZBBRYSA-N 2 2 347.488 1.407 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC000939624917 699762692 /nfs/dbraw/zinc/76/26/92/699762692.db2.gz ZQVYOYXJACWLFC-RDTXWAMCSA-N 2 2 326.444 1.940 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]CCc1ccns1 ZINC000939640903 699770296 /nfs/dbraw/zinc/77/02/96/699770296.db2.gz BAVIYVZDQIDQOG-BBRMVZONSA-N 2 2 347.488 1.488 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000939753891 699903712 /nfs/dbraw/zinc/90/37/12/699903712.db2.gz JFTNPNMARVRWND-KGLIPLIRSA-N 2 2 348.495 1.135 20 0 EDADLP CCCc1noc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000940356769 700518571 /nfs/dbraw/zinc/51/85/71/700518571.db2.gz XTEAIHDQNCMYHZ-UHFFFAOYSA-N 2 2 346.435 1.459 20 0 EDADLP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397273 700594298 /nfs/dbraw/zinc/59/42/98/700594298.db2.gz JBBQHZZVMHIAKV-UHFFFAOYSA-N 2 2 330.436 1.340 20 0 EDADLP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000940426042 700619650 /nfs/dbraw/zinc/61/96/50/700619650.db2.gz CXOIMANMCNCUCK-UHFFFAOYSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940441312 700642567 /nfs/dbraw/zinc/64/25/67/700642567.db2.gz DACPUGLBWCOHMS-OAHLLOKOSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2nccs2)CC1 ZINC000940441700 700643356 /nfs/dbraw/zinc/64/33/56/700643356.db2.gz PRAZRBPOSFUYAW-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP CC1([NH2+]CC2CC(F)(F)C2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940483836 700671578 /nfs/dbraw/zinc/67/15/78/700671578.db2.gz MWYFKAXRBMVBLR-UHFFFAOYSA-N 2 2 326.391 1.899 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)OC)CC1(C)C ZINC000940831426 700930986 /nfs/dbraw/zinc/93/09/86/700930986.db2.gz MUBCXFNQHQGAGW-PBHICJAKSA-N 2 2 349.475 1.884 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)OC)CC1(C)C ZINC000940831426 700930989 /nfs/dbraw/zinc/93/09/89/700930989.db2.gz MUBCXFNQHQGAGW-PBHICJAKSA-N 2 2 349.475 1.884 20 0 EDADLP CCc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)o1 ZINC000995107859 700971742 /nfs/dbraw/zinc/97/17/42/700971742.db2.gz SHQSPRVAPNFAFR-KBPBESRZSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)sn1 ZINC000995110695 701000658 /nfs/dbraw/zinc/00/06/58/701000658.db2.gz YWJGQLNLHCVZEJ-QWHCGFSZSA-N 2 2 333.461 1.792 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cnc(C)o3)C2)C1 ZINC001031919078 701041541 /nfs/dbraw/zinc/04/15/41/701041541.db2.gz MJDFGQUUJXNRDQ-MRXNPFEDSA-N 2 2 334.464 1.653 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cnc(C)o3)C2)C1 ZINC001031919078 701041542 /nfs/dbraw/zinc/04/15/42/701041542.db2.gz MJDFGQUUJXNRDQ-MRXNPFEDSA-N 2 2 334.464 1.653 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000995116415 701053040 /nfs/dbraw/zinc/05/30/40/701053040.db2.gz NCUWZHZQJWJWDN-ZIAGYGMSSA-N 2 2 345.451 1.199 20 0 EDADLP C[C@@H](O)[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353833681 701055350 /nfs/dbraw/zinc/05/53/50/701055350.db2.gz FOHFXDPKPDUGEM-HUUCEWRRSA-N 2 2 326.485 1.005 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806139 701195625 /nfs/dbraw/zinc/19/56/25/701195625.db2.gz AZDULIUOVYLWDU-LRDDRELGSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806139 701195627 /nfs/dbraw/zinc/19/56/27/701195627.db2.gz AZDULIUOVYLWDU-LRDDRELGSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945808072 701199236 /nfs/dbraw/zinc/19/92/36/701199236.db2.gz NLVDVEWMGJIBAV-UKRRQHHQSA-N 2 2 347.488 1.717 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945808072 701199238 /nfs/dbraw/zinc/19/92/38/701199238.db2.gz NLVDVEWMGJIBAV-UKRRQHHQSA-N 2 2 347.488 1.717 20 0 EDADLP CC1(C)C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941130646 701208390 /nfs/dbraw/zinc/20/83/90/701208390.db2.gz UZCMZHBZJVMNAP-GJZGRUSLSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941130646 701208391 /nfs/dbraw/zinc/20/83/91/701208391.db2.gz UZCMZHBZJVMNAP-GJZGRUSLSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@H+](CC[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941131368 701209178 /nfs/dbraw/zinc/20/91/78/701209178.db2.gz YZBZUDOCPNZZGV-LSDHHAIUSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)C[N@@H+](CC[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941131368 701209180 /nfs/dbraw/zinc/20/91/80/701209180.db2.gz YZBZUDOCPNZZGV-LSDHHAIUSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](CCC(F)(F)F)C1)CC2 ZINC001031930738 701374357 /nfs/dbraw/zinc/37/43/57/701374357.db2.gz AAEQVXUTAJDMMR-CYBMUJFWSA-N 2 2 344.381 1.754 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215789 701402036 /nfs/dbraw/zinc/40/20/36/701402036.db2.gz AYUWDPOGAYWTDJ-ZFWWWQNUSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215789 701402037 /nfs/dbraw/zinc/40/20/37/701402037.db2.gz AYUWDPOGAYWTDJ-ZFWWWQNUSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215789 701402038 /nfs/dbraw/zinc/40/20/38/701402038.db2.gz AYUWDPOGAYWTDJ-ZFWWWQNUSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215789 701402039 /nfs/dbraw/zinc/40/20/39/701402039.db2.gz AYUWDPOGAYWTDJ-ZFWWWQNUSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223569 701413780 /nfs/dbraw/zinc/41/37/80/701413780.db2.gz HLZNNPKSEJSHSS-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223569 701413782 /nfs/dbraw/zinc/41/37/82/701413782.db2.gz HLZNNPKSEJSHSS-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP CC1(C)C[N@H+](CC[C@H]2CCCO2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247463 701424237 /nfs/dbraw/zinc/42/42/37/701424237.db2.gz LJHJEQUAVVQLFV-HZPDHXFCSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)C[N@@H+](CC[C@H]2CCCO2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247463 701424238 /nfs/dbraw/zinc/42/42/38/701424238.db2.gz LJHJEQUAVVQLFV-HZPDHXFCSA-N 2 2 334.464 1.669 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000995172232 701709849 /nfs/dbraw/zinc/70/98/49/701709849.db2.gz YMPBMSCLDKUNFY-OLZOCXBDSA-N 2 2 333.461 1.494 20 0 EDADLP Cc1ncoc1C[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032134330 701891218 /nfs/dbraw/zinc/89/12/18/701891218.db2.gz UMQOKFBPYXABQC-UHFFFAOYSA-N 2 2 329.404 1.306 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031978074 701987847 /nfs/dbraw/zinc/98/78/47/701987847.db2.gz NQLHJRWLPPXCQS-HIFRSBDPSA-N 2 2 342.443 1.574 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031978074 701987850 /nfs/dbraw/zinc/98/78/50/701987850.db2.gz NQLHJRWLPPXCQS-HIFRSBDPSA-N 2 2 342.443 1.574 20 0 EDADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995975248 702331661 /nfs/dbraw/zinc/33/16/61/702331661.db2.gz IXPKMKUENQSQPU-HZPDHXFCSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995975248 702331667 /nfs/dbraw/zinc/33/16/67/702331667.db2.gz IXPKMKUENQSQPU-HZPDHXFCSA-N 2 2 345.491 1.596 20 0 EDADLP CC[C@H]([NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C)C(N)=O ZINC000996037657 702424409 /nfs/dbraw/zinc/42/44/09/702424409.db2.gz FYINPPGWLJETKF-JSGCOSHPSA-N 2 2 343.431 1.038 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)o1 ZINC000996041201 702456839 /nfs/dbraw/zinc/45/68/39/702456839.db2.gz DPTSLGWMZSFYFL-OAHLLOKOSA-N 2 2 345.447 1.769 20 0 EDADLP C[C@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000942064194 702495603 /nfs/dbraw/zinc/49/56/03/702495603.db2.gz PISGHXQQMKDZGS-HOCLYGCPSA-N 2 2 336.455 1.948 20 0 EDADLP C[C@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000942064194 702495606 /nfs/dbraw/zinc/49/56/06/702495606.db2.gz PISGHXQQMKDZGS-HOCLYGCPSA-N 2 2 336.455 1.948 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC000996096197 702510791 /nfs/dbraw/zinc/51/07/91/702510791.db2.gz DDZKLYJNYMPNCN-CABCVRRESA-N 2 2 329.460 1.283 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC000996096197 702510795 /nfs/dbraw/zinc/51/07/95/702510795.db2.gz DDZKLYJNYMPNCN-CABCVRRESA-N 2 2 329.460 1.283 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996301172 702692961 /nfs/dbraw/zinc/69/29/61/702692961.db2.gz RCRDMUOIPDDENR-KBPBESRZSA-N 2 2 349.479 1.443 20 0 EDADLP C[C@H](CC(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1)n1cc[nH+]c1 ZINC000996366116 702726026 /nfs/dbraw/zinc/72/60/26/702726026.db2.gz ZRFCBZXVQKLRGW-HUUCEWRRSA-N 2 2 344.463 1.595 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000996356849 702733900 /nfs/dbraw/zinc/73/39/00/702733900.db2.gz UAHFNGXCVIQISV-HNNXBMFYSA-N 2 2 328.420 1.077 20 0 EDADLP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)c1 ZINC000996357159 702734217 /nfs/dbraw/zinc/73/42/17/702734217.db2.gz VBXKRWIFZNUIDA-MRXNPFEDSA-N 2 2 327.432 1.682 20 0 EDADLP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996463114 702790472 /nfs/dbraw/zinc/79/04/72/702790472.db2.gz WDSBPJGPQIUCBI-CQSZACIVSA-N 2 2 343.431 1.383 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC2(C)C)[nH]1 ZINC000996449254 702794253 /nfs/dbraw/zinc/79/42/53/702794253.db2.gz NLXIHRGTKAUCON-OAHLLOKOSA-N 2 2 348.495 1.172 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000996454955 702799524 /nfs/dbraw/zinc/79/95/24/702799524.db2.gz DQISIOBUMGKHAJ-HZPDHXFCSA-N 2 2 342.443 1.512 20 0 EDADLP Cc1ncsc1CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996457671 702802364 /nfs/dbraw/zinc/80/23/64/702802364.db2.gz QAJQPWBUTZMXKM-AWEZNQCLSA-N 2 2 347.488 1.786 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000996512489 702832190 /nfs/dbraw/zinc/83/21/90/702832190.db2.gz CFQPANODQHUDSY-HNNXBMFYSA-N 2 2 347.488 1.488 20 0 EDADLP CCc1onc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995232261 702848128 /nfs/dbraw/zinc/84/81/28/702848128.db2.gz CUXXSRZXMULBSM-LSDHHAIUSA-N 2 2 345.447 1.817 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996516600 702852420 /nfs/dbraw/zinc/85/24/20/702852420.db2.gz BRYJWLXWJDHEFO-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996516600 702852423 /nfs/dbraw/zinc/85/24/23/702852423.db2.gz BRYJWLXWJDHEFO-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC000996518209 702853797 /nfs/dbraw/zinc/85/37/97/702853797.db2.gz IIUMGLYTJWAOBS-CQSZACIVSA-N 2 2 344.463 1.448 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)o1 ZINC000996519761 702855533 /nfs/dbraw/zinc/85/55/33/702855533.db2.gz LBNCUNTVUBMULR-GXTWGEPZSA-N 2 2 347.463 1.361 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000996571046 702883555 /nfs/dbraw/zinc/88/35/55/702883555.db2.gz ZHRPECBHYNVJBU-CQSZACIVSA-N 2 2 347.488 1.836 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+][C@@H](C)c2ncccn2)C(C)(C)C1 ZINC000996608728 702912053 /nfs/dbraw/zinc/91/20/53/702912053.db2.gz FBAHSTKJRHCWRK-ZFWWWQNUSA-N 2 2 342.447 1.569 20 0 EDADLP Cc1ccnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995242197 702913286 /nfs/dbraw/zinc/91/32/86/702913286.db2.gz GJUBUZMKNFKONK-GJZGRUSLSA-N 2 2 328.420 1.056 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996611746 702917123 /nfs/dbraw/zinc/91/71/23/702917123.db2.gz OPFFVOLMCGSTOZ-AWEZNQCLSA-N 2 2 349.479 1.615 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000995248831 702956844 /nfs/dbraw/zinc/95/68/44/702956844.db2.gz LGAACBSTRUMIBY-ZBFHGGJFSA-N 2 2 343.431 1.361 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)no1 ZINC000996665466 702967729 /nfs/dbraw/zinc/96/77/29/702967729.db2.gz MBVLNTQVJUVJFN-UHFFFAOYSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)no1 ZINC000996665466 702967731 /nfs/dbraw/zinc/96/77/31/702967731.db2.gz MBVLNTQVJUVJFN-UHFFFAOYSA-N 2 2 335.452 1.197 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996675005 702968657 /nfs/dbraw/zinc/96/86/57/702968657.db2.gz DVTKUEHTTKCJMD-AWEZNQCLSA-N 2 2 346.460 1.393 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996682825 702980719 /nfs/dbraw/zinc/98/07/19/702980719.db2.gz BUFWGSALVRCBBK-BZUAXINKSA-N 2 2 332.448 1.663 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996682825 702980721 /nfs/dbraw/zinc/98/07/21/702980721.db2.gz BUFWGSALVRCBBK-BZUAXINKSA-N 2 2 332.448 1.663 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996692947 702988528 /nfs/dbraw/zinc/98/85/28/702988528.db2.gz AHQIDZVXIVGFGX-HZPDHXFCSA-N 2 2 343.406 1.828 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996692947 702988530 /nfs/dbraw/zinc/98/85/30/702988530.db2.gz AHQIDZVXIVGFGX-HZPDHXFCSA-N 2 2 343.406 1.828 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)sn1 ZINC000996713469 703008622 /nfs/dbraw/zinc/00/86/22/703008622.db2.gz JHFMARXCNAHNPS-CQSZACIVSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C[C@@H]1C ZINC000942518190 703012278 /nfs/dbraw/zinc/01/22/78/703012278.db2.gz NXTVJCLFGUNRQL-GUYCJALGSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)nc2)C[C@@H]1C ZINC000942518190 703012282 /nfs/dbraw/zinc/01/22/82/703012282.db2.gz NXTVJCLFGUNRQL-GUYCJALGSA-N 2 2 342.447 1.317 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996736517 703032938 /nfs/dbraw/zinc/03/29/38/703032938.db2.gz FTUOIPXCEMQHDK-CYBMUJFWSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996740083 703035435 /nfs/dbraw/zinc/03/54/35/703035435.db2.gz SBNXAPRCCAIXTA-INIZCTEOSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2ncc(C)cn2)CC1 ZINC000996797691 703089948 /nfs/dbraw/zinc/08/99/48/703089948.db2.gz IOPJVJYMLLKOPD-UHFFFAOYSA-N 2 2 328.420 1.071 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996834341 703122011 /nfs/dbraw/zinc/12/20/11/703122011.db2.gz NPYZUXJWJQIQRE-HNNXBMFYSA-N 2 2 334.464 1.360 20 0 EDADLP CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC000996854301 703132689 /nfs/dbraw/zinc/13/26/89/703132689.db2.gz GMGBSBFETLYRLF-GHMZBOCLSA-N 2 2 332.370 1.934 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1)c1cnccn1 ZINC000996858377 703142295 /nfs/dbraw/zinc/14/22/95/703142295.db2.gz HMZOWOBEQXKYHR-AWEZNQCLSA-N 2 2 328.420 1.405 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CCC[N@H+](CCCO)CC2)c[nH+]1 ZINC000948473558 703159519 /nfs/dbraw/zinc/15/95/19/703159519.db2.gz HWLXWYWJZPDMKD-MRXNPFEDSA-N 2 2 336.480 1.622 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CCC[N@@H+](CCCO)CC2)c[nH+]1 ZINC000948473558 703159521 /nfs/dbraw/zinc/15/95/21/703159521.db2.gz HWLXWYWJZPDMKD-MRXNPFEDSA-N 2 2 336.480 1.622 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC([NH2+]CCF)CC1 ZINC000996910342 703181052 /nfs/dbraw/zinc/18/10/52/703181052.db2.gz KKDASBLSGVVUHY-INIZCTEOSA-N 2 2 327.444 1.180 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC([NH2+]CCF)CC1 ZINC000996910342 703181054 /nfs/dbraw/zinc/18/10/54/703181054.db2.gz KKDASBLSGVVUHY-INIZCTEOSA-N 2 2 327.444 1.180 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cs1 ZINC000997037857 703289265 /nfs/dbraw/zinc/28/92/65/703289265.db2.gz VSSPONMDIMOULE-UHFFFAOYSA-N 2 2 333.461 1.752 20 0 EDADLP CCCc1nc(C)c(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000997040415 703291163 /nfs/dbraw/zinc/29/11/63/703291163.db2.gz GNFLWEJLZZZKOW-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000997043562 703296000 /nfs/dbraw/zinc/29/60/00/703296000.db2.gz ZLXOQPNEJBGLBJ-UHFFFAOYSA-N 2 2 339.852 1.843 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1)n1cc[nH+]c1 ZINC000997047465 703301100 /nfs/dbraw/zinc/30/11/00/703301100.db2.gz YJZTVWXLBKFTCI-KBPBESRZSA-N 2 2 345.451 1.305 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)[nH]1 ZINC000997062032 703312965 /nfs/dbraw/zinc/31/29/65/703312965.db2.gz GFGKSHNUKIJWQQ-UHFFFAOYSA-N 2 2 345.451 1.214 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000997086807 703332557 /nfs/dbraw/zinc/33/25/57/703332557.db2.gz VPYLXXWPMBRRMB-ZDUSSCGKSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000997086807 703332559 /nfs/dbraw/zinc/33/25/59/703332559.db2.gz VPYLXXWPMBRRMB-ZDUSSCGKSA-N 2 2 342.447 1.468 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1)c1ncccn1 ZINC000997181346 703465500 /nfs/dbraw/zinc/46/55/00/703465500.db2.gz ZMAFZDIFRHLYMV-ZDUSSCGKSA-N 2 2 328.420 1.094 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CCc2cccs2)CC1 ZINC000997182921 703468272 /nfs/dbraw/zinc/46/82/72/703468272.db2.gz LLBASZXNFDPTIQ-UHFFFAOYSA-N 2 2 332.473 1.847 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+][C@@H](C)c2ncccn2)CC1 ZINC000997221549 703499517 /nfs/dbraw/zinc/49/95/17/703499517.db2.gz LRRHLUMEFRSBDG-ZDUSSCGKSA-N 2 2 328.420 1.392 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997235689 703522779 /nfs/dbraw/zinc/52/27/79/703522779.db2.gz AUIHSVIOYKBOBK-KRWDZBQOSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)oc1C ZINC000997237836 703524649 /nfs/dbraw/zinc/52/46/49/703524649.db2.gz QCJHKTOBFXLTQN-UHFFFAOYSA-N 2 2 345.447 1.738 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1)C1CC1 ZINC001032446340 703615346 /nfs/dbraw/zinc/61/53/46/703615346.db2.gz ZNEBSFIXUHGOQT-JENIJYKNSA-N 2 2 343.471 1.691 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1)C1CC1 ZINC001032446340 703615347 /nfs/dbraw/zinc/61/53/47/703615347.db2.gz ZNEBSFIXUHGOQT-JENIJYKNSA-N 2 2 343.471 1.691 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnn(C)c2)C1 ZINC001032443286 703619672 /nfs/dbraw/zinc/61/96/72/703619672.db2.gz QKHLRZFUEBIUCK-BZSNNMDCSA-N 2 2 345.491 1.183 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnn(C)c2)C1 ZINC001032443286 703619673 /nfs/dbraw/zinc/61/96/73/703619673.db2.gz QKHLRZFUEBIUCK-BZSNNMDCSA-N 2 2 345.491 1.183 20 0 EDADLP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnn(C)c2)C1 ZINC001032443286 703619674 /nfs/dbraw/zinc/61/96/74/703619674.db2.gz QKHLRZFUEBIUCK-BZSNNMDCSA-N 2 2 345.491 1.183 20 0 EDADLP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnn(C)c2)C1 ZINC001032443286 703619675 /nfs/dbraw/zinc/61/96/75/703619675.db2.gz QKHLRZFUEBIUCK-BZSNNMDCSA-N 2 2 345.491 1.183 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cnn(C)c1 ZINC001032444627 703621890 /nfs/dbraw/zinc/62/18/90/703621890.db2.gz GPXZMZVLYKNABW-SQNIBIBYSA-N 2 2 345.491 1.468 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cnn(C)c1 ZINC001032444627 703621891 /nfs/dbraw/zinc/62/18/91/703621891.db2.gz GPXZMZVLYKNABW-SQNIBIBYSA-N 2 2 345.491 1.468 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnn(C)c1 ZINC001032444627 703621892 /nfs/dbraw/zinc/62/18/92/703621892.db2.gz GPXZMZVLYKNABW-SQNIBIBYSA-N 2 2 345.491 1.468 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnn(C)c1 ZINC001032444627 703621893 /nfs/dbraw/zinc/62/18/93/703621893.db2.gz GPXZMZVLYKNABW-SQNIBIBYSA-N 2 2 345.491 1.468 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032454523 703641391 /nfs/dbraw/zinc/64/13/91/703641391.db2.gz WLWVQOVWPHFQBJ-BZSNNMDCSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032454523 703641392 /nfs/dbraw/zinc/64/13/92/703641392.db2.gz WLWVQOVWPHFQBJ-BZSNNMDCSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032454523 703641393 /nfs/dbraw/zinc/64/13/93/703641393.db2.gz WLWVQOVWPHFQBJ-BZSNNMDCSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032454523 703641394 /nfs/dbraw/zinc/64/13/94/703641394.db2.gz WLWVQOVWPHFQBJ-BZSNNMDCSA-N 2 2 345.491 1.388 20 0 EDADLP CCc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997422706 703671149 /nfs/dbraw/zinc/67/11/49/703671149.db2.gz XWNTWKWCGDIDTL-HIFRSBDPSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997422706 703671150 /nfs/dbraw/zinc/67/11/50/703671150.db2.gz XWNTWKWCGDIDTL-HIFRSBDPSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947928497 703810133 /nfs/dbraw/zinc/81/01/33/703810133.db2.gz BJPOEYLEDWHZJK-SWLSCSKDSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947928497 703810134 /nfs/dbraw/zinc/81/01/34/703810134.db2.gz BJPOEYLEDWHZJK-SWLSCSKDSA-N 2 2 331.420 1.428 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995549597 703933088 /nfs/dbraw/zinc/93/30/88/703933088.db2.gz DOXDKHOGLJMBLK-HUUCEWRRSA-N 2 2 334.464 1.658 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995549597 703933089 /nfs/dbraw/zinc/93/30/89/703933089.db2.gz DOXDKHOGLJMBLK-HUUCEWRRSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001033079961 704143911 /nfs/dbraw/zinc/14/39/11/704143911.db2.gz AWWVWJHFNLRTOM-JKSUJKDBSA-N 2 2 348.516 1.826 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001033079961 704143914 /nfs/dbraw/zinc/14/39/14/704143914.db2.gz AWWVWJHFNLRTOM-JKSUJKDBSA-N 2 2 348.516 1.826 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC000997737689 704634824 /nfs/dbraw/zinc/63/48/24/704634824.db2.gz LGBKOXXZOVFMPK-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP CCn1ccnc1C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000997818868 704740123 /nfs/dbraw/zinc/74/01/23/704740123.db2.gz YSFDFYYGPQMJFF-UHFFFAOYSA-N 2 2 344.463 1.587 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000944964099 704830371 /nfs/dbraw/zinc/83/03/71/704830371.db2.gz FYAOTHVDCSDTNG-CXAGYDPISA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000944964099 704830373 /nfs/dbraw/zinc/83/03/73/704830373.db2.gz FYAOTHVDCSDTNG-CXAGYDPISA-N 2 2 342.447 1.317 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)on1 ZINC000944965061 704834840 /nfs/dbraw/zinc/83/48/40/704834840.db2.gz PGSXZNZKLDJHIP-IUODEOHRSA-N 2 2 347.419 1.215 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)on1 ZINC000944965061 704834841 /nfs/dbraw/zinc/83/48/41/704834841.db2.gz PGSXZNZKLDJHIP-IUODEOHRSA-N 2 2 347.419 1.215 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC000997953118 705081423 /nfs/dbraw/zinc/08/14/23/705081423.db2.gz RSQREVNQRIFOGQ-WBVHZDCISA-N 2 2 334.464 1.669 20 0 EDADLP CCc1cnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000998113765 705364271 /nfs/dbraw/zinc/36/42/71/705364271.db2.gz CFPYROMPVDICPK-UHFFFAOYSA-N 2 2 331.420 1.531 20 0 EDADLP Cc1nonc1C[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000998122545 705375736 /nfs/dbraw/zinc/37/57/36/705375736.db2.gz AMIUZQKKYDRFHI-CYBMUJFWSA-N 2 2 346.435 1.554 20 0 EDADLP Cc1nccnc1C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000998181072 705480322 /nfs/dbraw/zinc/48/03/22/705480322.db2.gz FKNXJIMVAHTWIB-UHFFFAOYSA-N 2 2 328.420 1.079 20 0 EDADLP Cn1nccc1C[NH2+]CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000998223577 705551105 /nfs/dbraw/zinc/55/11/05/705551105.db2.gz SGFGEYBQBSKKSH-UHFFFAOYSA-N 2 2 344.463 1.449 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000998245359 705588543 /nfs/dbraw/zinc/58/85/43/705588543.db2.gz SWUSFMUUQOWLEF-UHFFFAOYSA-N 2 2 333.461 1.746 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998247348 705596346 /nfs/dbraw/zinc/59/63/46/705596346.db2.gz HAUJPFUTEXFKGZ-UHFFFAOYSA-N 2 2 348.476 1.233 20 0 EDADLP COc1cccc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000998296256 705698066 /nfs/dbraw/zinc/69/80/66/705698066.db2.gz 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1.123 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033587885 708280206 /nfs/dbraw/zinc/28/02/06/708280206.db2.gz IPYJSBIZRCBQMP-KRWDZBQOSA-N 2 2 326.444 1.738 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033587885 708280209 /nfs/dbraw/zinc/28/02/09/708280209.db2.gz IPYJSBIZRCBQMP-KRWDZBQOSA-N 2 2 326.444 1.738 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033591560 708289781 /nfs/dbraw/zinc/28/97/81/708289781.db2.gz VCICQEBZRZZVOO-QGZVFWFLSA-N 2 2 342.443 1.188 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033591560 708289782 /nfs/dbraw/zinc/28/97/82/708289782.db2.gz VCICQEBZRZZVOO-QGZVFWFLSA-N 2 2 342.443 1.188 20 0 EDADLP CCc1noc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001001794889 708309501 /nfs/dbraw/zinc/30/95/01/708309501.db2.gz LPIXPTCXBLPEST-UHFFFAOYSA-N 2 2 349.479 1.302 20 0 EDADLP CC(C)c1ocnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659409 708471235 /nfs/dbraw/zinc/47/12/35/708471235.db2.gz WWCURZLQQFIKQZ-HNNXBMFYSA-N 2 2 334.464 1.927 20 0 EDADLP CC(C)c1ocnc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659409 708471237 /nfs/dbraw/zinc/47/12/37/708471237.db2.gz WWCURZLQQFIKQZ-HNNXBMFYSA-N 2 2 334.464 1.927 20 0 EDADLP CN(C(=O)C[NH+]1CCc2sccc2C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033684570 708497713 /nfs/dbraw/zinc/49/77/13/708497713.db2.gz LSLBHKMYSVSTKA-OAHLLOKOSA-N 2 2 337.489 1.021 20 0 EDADLP CN(C(=O)C[NH+]1CCc2sccc2C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033684570 708497715 /nfs/dbraw/zinc/49/77/15/708497715.db2.gz LSLBHKMYSVSTKA-OAHLLOKOSA-N 2 2 337.489 1.021 20 0 EDADLP CN(C(=O)C[N@@H+]1CCc2sccc2C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033684570 708497717 /nfs/dbraw/zinc/49/77/17/708497717.db2.gz LSLBHKMYSVSTKA-OAHLLOKOSA-N 2 2 337.489 1.021 20 0 EDADLP CN(C(=O)C[N@H+]1CCc2sccc2C1)[C@@H]1CC[NH+](CCCO)C1 ZINC001033684570 708497719 /nfs/dbraw/zinc/49/77/19/708497719.db2.gz LSLBHKMYSVSTKA-OAHLLOKOSA-N 2 2 337.489 1.021 20 0 EDADLP Cn1nc2c(c1C[NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)COCC2 ZINC000921861522 708703947 /nfs/dbraw/zinc/70/39/47/708703947.db2.gz XBSAJQFTSYEILR-IEBWSBKVSA-N 2 2 348.491 1.350 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033829991 708851152 /nfs/dbraw/zinc/85/11/52/708851152.db2.gz DVQYENIMIJZRLO-IRXDYDNUSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033829991 708851155 /nfs/dbraw/zinc/85/11/55/708851155.db2.gz DVQYENIMIJZRLO-IRXDYDNUSA-N 2 2 346.475 1.748 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002537408 709082527 /nfs/dbraw/zinc/08/25/27/709082527.db2.gz XACVKOWECHRZHM-KBXCAEBGSA-N 2 2 349.450 1.798 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005477536 709103655 /nfs/dbraw/zinc/10/36/55/709103655.db2.gz RUKXPKYHKIXBQC-KRWDZBQOSA-N 2 2 345.491 1.774 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005477536 709103659 /nfs/dbraw/zinc/10/36/59/709103659.db2.gz RUKXPKYHKIXBQC-KRWDZBQOSA-N 2 2 345.491 1.774 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001034046772 709300039 /nfs/dbraw/zinc/30/00/39/709300039.db2.gz XVECZBXRCTUALV-HOCLYGCPSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001034046772 709300041 /nfs/dbraw/zinc/30/00/41/709300041.db2.gz XVECZBXRCTUALV-HOCLYGCPSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2csc(C)n2)C1 ZINC001034046772 709300044 /nfs/dbraw/zinc/30/00/44/709300044.db2.gz XVECZBXRCTUALV-HOCLYGCPSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2csc(C)n2)C1 ZINC001034046772 709300046 /nfs/dbraw/zinc/30/00/46/709300046.db2.gz XVECZBXRCTUALV-HOCLYGCPSA-N 2 2 336.505 1.826 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001002954674 709654816 /nfs/dbraw/zinc/65/48/16/709654816.db2.gz IBXPGZOHAMWGQH-HNNXBMFYSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001002954674 709654817 /nfs/dbraw/zinc/65/48/17/709654817.db2.gz IBXPGZOHAMWGQH-HNNXBMFYSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001002956103 709658672 /nfs/dbraw/zinc/65/86/72/709658672.db2.gz RCBZDZJZQNGCNX-INIZCTEOSA-N 2 2 333.480 1.375 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001002956103 709658674 /nfs/dbraw/zinc/65/86/74/709658674.db2.gz RCBZDZJZQNGCNX-INIZCTEOSA-N 2 2 333.480 1.375 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC001034270862 709676918 /nfs/dbraw/zinc/67/69/18/709676918.db2.gz JGAARMGPPVQOGL-DOTOQJQBSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC001034270862 709676920 /nfs/dbraw/zinc/67/69/20/709676920.db2.gz JGAARMGPPVQOGL-DOTOQJQBSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)o1 ZINC001034270862 709676925 /nfs/dbraw/zinc/67/69/25/709676925.db2.gz JGAARMGPPVQOGL-DOTOQJQBSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)o1 ZINC001034270862 709676928 /nfs/dbraw/zinc/67/69/28/709676928.db2.gz JGAARMGPPVQOGL-DOTOQJQBSA-N 2 2 334.464 1.938 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001003011669 709783546 /nfs/dbraw/zinc/78/35/46/709783546.db2.gz PZXRBMCMEXHIBR-QGZVFWFLSA-N 2 2 348.495 1.159 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001003011669 709783549 /nfs/dbraw/zinc/78/35/49/709783549.db2.gz PZXRBMCMEXHIBR-QGZVFWFLSA-N 2 2 348.495 1.159 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](CCCO)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC001034474068 710078649 /nfs/dbraw/zinc/07/86/49/710078649.db2.gz NICFACREQNQDKS-HNNXBMFYSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](CCCO)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC001034474068 710078655 /nfs/dbraw/zinc/07/86/55/710078655.db2.gz NICFACREQNQDKS-HNNXBMFYSA-N 2 2 343.431 1.234 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](CC[C@H]2CCCO2)C1 ZINC001034485997 710132156 /nfs/dbraw/zinc/13/21/56/710132156.db2.gz VRENFTCQJLBZAY-DOTOQJQBSA-N 2 2 334.464 1.502 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001034485997 710132158 /nfs/dbraw/zinc/13/21/58/710132158.db2.gz VRENFTCQJLBZAY-DOTOQJQBSA-N 2 2 334.464 1.502 20 0 EDADLP Cn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034487029 710134519 /nfs/dbraw/zinc/13/45/19/710134519.db2.gz DFYUVCUMSBUDRY-HZPDHXFCSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034487029 710134521 /nfs/dbraw/zinc/13/45/21/710134521.db2.gz DFYUVCUMSBUDRY-HZPDHXFCSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccnc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034487029 710134523 /nfs/dbraw/zinc/13/45/23/710134523.db2.gz DFYUVCUMSBUDRY-HZPDHXFCSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccnc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034487029 710134525 /nfs/dbraw/zinc/13/45/25/710134525.db2.gz DFYUVCUMSBUDRY-HZPDHXFCSA-N 2 2 333.480 1.233 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC001034502539 710143790 /nfs/dbraw/zinc/14/37/90/710143790.db2.gz HWYUTGPALVMYDR-CVEARBPZSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001034502539 710143792 /nfs/dbraw/zinc/14/37/92/710143792.db2.gz HWYUTGPALVMYDR-CVEARBPZSA-N 2 2 334.464 1.658 20 0 EDADLP O=C(NC1CC[NH+](Cc2nccs2)CC1)C12CCC[NH+]1CCC2 ZINC001003245130 710168904 /nfs/dbraw/zinc/16/89/04/710168904.db2.gz VLLZSGYHCMONLH-UHFFFAOYSA-N 2 2 334.489 1.852 20 0 EDADLP COc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547556 710221944 /nfs/dbraw/zinc/22/19/44/710221944.db2.gz VAIXYWYYSDWMQE-MRXNPFEDSA-N 2 2 343.431 1.458 20 0 EDADLP COc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547556 710221945 /nfs/dbraw/zinc/22/19/45/710221945.db2.gz VAIXYWYYSDWMQE-MRXNPFEDSA-N 2 2 343.431 1.458 20 0 EDADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001034649608 710326142 /nfs/dbraw/zinc/32/61/42/710326142.db2.gz MVZAZIWFSWXVLI-WBOJAVRRSA-N 2 2 349.479 1.188 20 0 EDADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001034649608 710326144 /nfs/dbraw/zinc/32/61/44/710326144.db2.gz MVZAZIWFSWXVLI-WBOJAVRRSA-N 2 2 349.479 1.188 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003419185 710333343 /nfs/dbraw/zinc/33/33/43/710333343.db2.gz CPNOLPHPBLSAPH-UHFFFAOYSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1nccc1C[NH+]1CCC(NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001003518819 710396004 /nfs/dbraw/zinc/39/60/04/710396004.db2.gz URXVKFRXOLYALD-UHFFFAOYSA-N 2 2 345.447 1.469 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003625230 710454343 /nfs/dbraw/zinc/45/43/43/710454343.db2.gz CVTHWXIBLIMPJF-CQSZACIVSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003625230 710454344 /nfs/dbraw/zinc/45/43/44/710454344.db2.gz CVTHWXIBLIMPJF-CQSZACIVSA-N 2 2 331.464 1.207 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003627927 710457670 /nfs/dbraw/zinc/45/76/70/710457670.db2.gz JYCYQGYXDKJWSH-HNNXBMFYSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003627927 710457671 /nfs/dbraw/zinc/45/76/71/710457671.db2.gz JYCYQGYXDKJWSH-HNNXBMFYSA-N 2 2 333.480 1.468 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)cc(C)[nH+]1 ZINC001061327637 710587743 /nfs/dbraw/zinc/58/77/43/710587743.db2.gz LEXICEOQUOKAKJ-GJZGRUSLSA-N 2 2 331.464 1.527 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)cc(C)[nH+]1 ZINC001061327637 710587744 /nfs/dbraw/zinc/58/77/44/710587744.db2.gz LEXICEOQUOKAKJ-GJZGRUSLSA-N 2 2 331.464 1.527 20 0 EDADLP COC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005604573 710684789 /nfs/dbraw/zinc/68/47/89/710684789.db2.gz CFQZXZPPKINMAM-GJZGRUSLSA-N 2 2 334.464 1.403 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034743831 710945834 /nfs/dbraw/zinc/94/58/34/710945834.db2.gz BVGYPNDQSHYZAX-HDJSIYSDSA-N 2 2 328.420 1.268 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)CCO1 ZINC001034764924 711041523 /nfs/dbraw/zinc/04/15/23/711041523.db2.gz YQHRIVCIXUKUJC-QKPAOTATSA-N 2 2 334.464 1.784 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975107 711063743 /nfs/dbraw/zinc/06/37/43/711063743.db2.gz GWKUSNSEIYRUNF-AEFFLSMTSA-N 2 2 347.459 1.059 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975107 711063744 /nfs/dbraw/zinc/06/37/44/711063744.db2.gz GWKUSNSEIYRUNF-AEFFLSMTSA-N 2 2 347.459 1.059 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001032975107 711063746 /nfs/dbraw/zinc/06/37/46/711063746.db2.gz GWKUSNSEIYRUNF-AEFFLSMTSA-N 2 2 347.459 1.059 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001032975107 711063748 /nfs/dbraw/zinc/06/37/48/711063748.db2.gz GWKUSNSEIYRUNF-AEFFLSMTSA-N 2 2 347.459 1.059 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034787080 711092632 /nfs/dbraw/zinc/09/26/32/711092632.db2.gz WVFZQHKAIXCQTP-JOCQHMNTSA-N 2 2 333.461 1.934 20 0 EDADLP CCc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001034802329 711139756 /nfs/dbraw/zinc/13/97/56/711139756.db2.gz YAAFPJWTZYIBIH-IHRRRGAJSA-N 2 2 346.435 1.607 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001003977580 711150106 /nfs/dbraw/zinc/15/01/06/711150106.db2.gz WCVOSMKYYCBTOL-INIZCTEOSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)nc1 ZINC001034802375 711159174 /nfs/dbraw/zinc/15/91/74/711159174.db2.gz ZXANFCYQOMOSBW-SHTZXODSSA-N 2 2 328.420 1.199 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC001004052383 711340342 /nfs/dbraw/zinc/34/03/42/711340342.db2.gz HSFZRUFDTHFRHD-HIFRSBDPSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)o1 ZINC001034956554 711426558 /nfs/dbraw/zinc/42/65/58/711426558.db2.gz AVSKWPJPCNDAJD-TZMCWYRMSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[NH2+]C[C@@H]2CCOC2)c[nH+]1 ZINC001034969491 711448649 /nfs/dbraw/zinc/44/86/49/711448649.db2.gz CKQDQXOFDRHEHE-JKSUJKDBSA-N 2 2 334.464 1.544 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004543420 711954194 /nfs/dbraw/zinc/95/41/94/711954194.db2.gz PGYSLLPJRRYNQQ-DOTOQJQBSA-N 2 2 346.475 1.525 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004543420 711954195 /nfs/dbraw/zinc/95/41/95/711954195.db2.gz PGYSLLPJRRYNQQ-DOTOQJQBSA-N 2 2 346.475 1.525 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004576800 712004397 /nfs/dbraw/zinc/00/43/97/712004397.db2.gz FSFJUDHZFXBDPN-QAPCUYQASA-N 2 2 348.491 1.674 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004576800 712004399 /nfs/dbraw/zinc/00/43/99/712004399.db2.gz FSFJUDHZFXBDPN-QAPCUYQASA-N 2 2 348.491 1.674 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004576800 712004401 /nfs/dbraw/zinc/00/44/01/712004401.db2.gz FSFJUDHZFXBDPN-QAPCUYQASA-N 2 2 348.491 1.674 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004576800 712004403 /nfs/dbraw/zinc/00/44/03/712004403.db2.gz FSFJUDHZFXBDPN-QAPCUYQASA-N 2 2 348.491 1.674 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598308 712041256 /nfs/dbraw/zinc/04/12/56/712041256.db2.gz WDBRFMFYJRBWBS-HOCLYGCPSA-N 2 2 348.491 1.771 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598308 712041257 /nfs/dbraw/zinc/04/12/57/712041257.db2.gz WDBRFMFYJRBWBS-HOCLYGCPSA-N 2 2 348.491 1.771 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946639671 712112998 /nfs/dbraw/zinc/11/29/98/712112998.db2.gz DXNKEOAKFUXTSM-IYBDPMFKSA-N 2 2 347.459 1.186 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946639671 712112999 /nfs/dbraw/zinc/11/29/99/712112999.db2.gz DXNKEOAKFUXTSM-IYBDPMFKSA-N 2 2 347.459 1.186 20 0 EDADLP COC[C@H](C)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761661 214103665 /nfs/dbraw/zinc/10/36/65/214103665.db2.gz LCBWAUSCBUCNCE-AWEZNQCLSA-N 2 2 326.485 1.221 20 0 EDADLP CCOC(=O)[C@H]1CSCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000558607685 306240807 /nfs/dbraw/zinc/24/08/07/306240807.db2.gz HGGQQPQMLPSXPI-MRXNPFEDSA-N 2 2 343.537 1.383 20 0 EDADLP CCOC(=O)[C@H]1CSCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000558607685 306240808 /nfs/dbraw/zinc/24/08/08/306240808.db2.gz HGGQQPQMLPSXPI-MRXNPFEDSA-N 2 2 343.537 1.383 20 0 EDADLP COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000559636996 306257166 /nfs/dbraw/zinc/25/71/66/306257166.db2.gz SPKJQKMZDQVOFU-WBVHZDCISA-N 2 2 345.443 1.796 20 0 EDADLP COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000559636996 306257167 /nfs/dbraw/zinc/25/71/67/306257167.db2.gz SPKJQKMZDQVOFU-WBVHZDCISA-N 2 2 345.443 1.796 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000159000831 530058942 /nfs/dbraw/zinc/05/89/42/530058942.db2.gz QFXQCEFBLXFLJB-ZBFHGGJFSA-N 2 2 345.443 1.812 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000159000831 530058943 /nfs/dbraw/zinc/05/89/43/530058943.db2.gz QFXQCEFBLXFLJB-ZBFHGGJFSA-N 2 2 345.443 1.812 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000159000831 530058944 /nfs/dbraw/zinc/05/89/44/530058944.db2.gz QFXQCEFBLXFLJB-ZBFHGGJFSA-N 2 2 345.443 1.812 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@@H]21 ZINC000159000831 530058945 /nfs/dbraw/zinc/05/89/45/530058945.db2.gz QFXQCEFBLXFLJB-ZBFHGGJFSA-N 2 2 345.443 1.812 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177996540 232052951 /nfs/dbraw/zinc/05/29/51/232052951.db2.gz GSNGYPMWWURVBQ-LSDHHAIUSA-N 2 2 337.489 1.488 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177996540 232052954 /nfs/dbraw/zinc/05/29/54/232052954.db2.gz GSNGYPMWWURVBQ-LSDHHAIUSA-N 2 2 337.489 1.488 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000101631270 219147862 /nfs/dbraw/zinc/14/78/62/219147862.db2.gz GKGAIKLXYYAVDO-ULQDDVLXSA-N 2 2 330.476 1.987 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN(C)Cc2cn3c([nH+]2)CCCC3)C[C@H](C)O1 ZINC000429537075 539523344 /nfs/dbraw/zinc/52/33/44/539523344.db2.gz GVUVEPQZPHJQMW-UXLLHSPISA-N 2 2 336.480 1.121 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)CN(C)Cc2cn3c([nH+]2)CCCC3)C[C@H](C)O1 ZINC000429537075 539523352 /nfs/dbraw/zinc/52/33/52/539523352.db2.gz GVUVEPQZPHJQMW-UXLLHSPISA-N 2 2 336.480 1.121 20 0 EDADLP CCc1[nH]ccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000560603021 306275581 /nfs/dbraw/zinc/27/55/81/306275581.db2.gz OUKCPRSZAKDWRS-XYPWUTKMSA-N 2 2 330.476 1.960 20 0 EDADLP CCc1[nH]ccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000560603021 306275582 /nfs/dbraw/zinc/27/55/82/306275582.db2.gz OUKCPRSZAKDWRS-XYPWUTKMSA-N 2 2 330.476 1.960 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000435531034 539566299 /nfs/dbraw/zinc/56/62/99/539566299.db2.gz IYGRZAJYHRPRAF-HSFUPAIVSA-N 2 2 325.497 1.015 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000435531034 539566302 /nfs/dbraw/zinc/56/63/02/539566302.db2.gz IYGRZAJYHRPRAF-HSFUPAIVSA-N 2 2 325.497 1.015 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000561207494 306284638 /nfs/dbraw/zinc/28/46/38/306284638.db2.gz HCYOIUUVDDGHFR-HOCLYGCPSA-N 2 2 331.464 1.846 20 0 EDADLP COCC(COC)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000412433659 304007641 /nfs/dbraw/zinc/00/76/41/304007641.db2.gz DEQOSOOYUMBDJJ-MRXNPFEDSA-N 2 2 341.496 1.057 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982025 306291815 /nfs/dbraw/zinc/29/18/15/306291815.db2.gz IIIUPHITEABZMJ-RDJZCZTQSA-N 3 2 332.496 1.000 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982025 306291816 /nfs/dbraw/zinc/29/18/16/306291816.db2.gz IIIUPHITEABZMJ-RDJZCZTQSA-N 3 2 332.496 1.000 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982025 306291817 /nfs/dbraw/zinc/29/18/17/306291817.db2.gz IIIUPHITEABZMJ-RDJZCZTQSA-N 3 2 332.496 1.000 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982025 306291818 /nfs/dbraw/zinc/29/18/18/306291818.db2.gz IIIUPHITEABZMJ-RDJZCZTQSA-N 3 2 332.496 1.000 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000180999055 234057089 /nfs/dbraw/zinc/05/70/89/234057089.db2.gz KSAUNFKXKOBACU-YJBOKZPZSA-N 3 2 332.492 1.550 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000180999055 234057094 /nfs/dbraw/zinc/05/70/94/234057094.db2.gz KSAUNFKXKOBACU-YJBOKZPZSA-N 3 2 332.492 1.550 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000412692887 304027232 /nfs/dbraw/zinc/02/72/32/304027232.db2.gz DXQKIZSVNJGEGY-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000412692887 304027234 /nfs/dbraw/zinc/02/72/34/304027234.db2.gz DXQKIZSVNJGEGY-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000163267713 540052423 /nfs/dbraw/zinc/05/24/23/540052423.db2.gz SFGYJGGFGCJCAJ-YOEHRIQHSA-N 2 2 330.436 1.424 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000163267713 540052426 /nfs/dbraw/zinc/05/24/26/540052426.db2.gz SFGYJGGFGCJCAJ-YOEHRIQHSA-N 2 2 330.436 1.424 20 0 EDADLP CC[C@@H](C(N)=O)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285397299 540080597 /nfs/dbraw/zinc/08/05/97/540080597.db2.gz ATSJXAHDGKNZKI-MSOLQXFVSA-N 2 2 330.476 1.142 20 0 EDADLP CC[C@@H](C(N)=O)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285397299 540080602 /nfs/dbraw/zinc/08/06/02/540080602.db2.gz ATSJXAHDGKNZKI-MSOLQXFVSA-N 2 2 330.476 1.142 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000563350382 306329067 /nfs/dbraw/zinc/32/90/67/306329067.db2.gz XMVROYMJJPRFTQ-ZFWWWQNUSA-N 2 2 335.448 1.474 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC ZINC000563350382 306329068 /nfs/dbraw/zinc/32/90/68/306329068.db2.gz XMVROYMJJPRFTQ-ZFWWWQNUSA-N 2 2 335.448 1.474 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000563376720 306330624 /nfs/dbraw/zinc/33/06/24/306330624.db2.gz LRXWBKWHSTUTKM-AWEZNQCLSA-N 2 2 327.432 1.764 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000563376720 306330625 /nfs/dbraw/zinc/33/06/25/306330625.db2.gz LRXWBKWHSTUTKM-AWEZNQCLSA-N 2 2 327.432 1.764 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1C ZINC000563438462 306333150 /nfs/dbraw/zinc/33/31/50/306333150.db2.gz DKYXTGABJGKGGT-UHFFFAOYSA-N 3 2 328.460 1.975 20 0 EDADLP COc1cc(OC)cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000047676079 138122845 /nfs/dbraw/zinc/12/28/45/138122845.db2.gz ZHDGGHHSMGPZLY-UHFFFAOYSA-N 2 2 349.475 1.802 20 0 EDADLP COc1cc(OC)cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000047676079 138122848 /nfs/dbraw/zinc/12/28/48/138122848.db2.gz ZHDGGHHSMGPZLY-UHFFFAOYSA-N 2 2 349.475 1.802 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000052102672 138136777 /nfs/dbraw/zinc/13/67/77/138136777.db2.gz UONVCJPGOYOLPJ-SFHVURJKSA-N 2 2 347.459 1.568 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000052102672 138136782 /nfs/dbraw/zinc/13/67/82/138136782.db2.gz UONVCJPGOYOLPJ-SFHVURJKSA-N 2 2 347.459 1.568 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000072803354 138210287 /nfs/dbraw/zinc/21/02/87/138210287.db2.gz NJQPVZAYVMBCMR-KBPBESRZSA-N 2 2 326.485 1.663 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000072803354 138210289 /nfs/dbraw/zinc/21/02/89/138210289.db2.gz NJQPVZAYVMBCMR-KBPBESRZSA-N 2 2 326.485 1.663 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2CC[NH2+][C@@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000563551226 306338603 /nfs/dbraw/zinc/33/86/03/306338603.db2.gz JRYDLFGIUOQHDG-WMZOPIPTSA-N 2 2 346.475 1.372 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090684174 138280849 /nfs/dbraw/zinc/28/08/49/138280849.db2.gz LJUNHMVJUXACTR-SJORKVTESA-N 2 2 349.479 1.476 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090684174 138280850 /nfs/dbraw/zinc/28/08/50/138280850.db2.gz LJUNHMVJUXACTR-SJORKVTESA-N 2 2 349.479 1.476 20 0 EDADLP Cc1cccn2c(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)c[nH+]c12 ZINC000093046997 138291259 /nfs/dbraw/zinc/29/12/59/138291259.db2.gz ALRFDROCTMGWFX-UHFFFAOYSA-N 2 2 341.459 1.383 20 0 EDADLP C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178248 138292393 /nfs/dbraw/zinc/29/23/93/138292393.db2.gz PMCAUQHTAHRBJI-FATZIPQQSA-N 2 2 337.489 1.191 20 0 EDADLP C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178248 138292394 /nfs/dbraw/zinc/29/23/94/138292394.db2.gz PMCAUQHTAHRBJI-FATZIPQQSA-N 2 2 337.489 1.191 20 0 EDADLP C[C@H]1CC(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000094071342 138295872 /nfs/dbraw/zinc/29/58/72/138295872.db2.gz MTGUQYHPDKSKKX-GJZGRUSLSA-N 2 2 337.508 1.865 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)nn(C)c3Cl)C2)CC1 ZINC000107368697 138304097 /nfs/dbraw/zinc/30/40/97/138304097.db2.gz LUQQKCQWFRWHIB-AWEZNQCLSA-N 2 2 325.888 1.594 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)CC1 ZINC000107368697 138304098 /nfs/dbraw/zinc/30/40/98/138304098.db2.gz LUQQKCQWFRWHIB-AWEZNQCLSA-N 2 2 325.888 1.594 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc(C4CC4)no3)CC2)CC1 ZINC000109789306 138306228 /nfs/dbraw/zinc/30/62/28/138306228.db2.gz UMIIMKYYEOMIHV-UHFFFAOYSA-N 2 2 347.463 1.323 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000563673160 306344607 /nfs/dbraw/zinc/34/46/07/306344607.db2.gz JMVQXAXIQXNCAK-ZHALLVOQSA-N 2 2 337.508 1.773 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000563673160 306344608 /nfs/dbraw/zinc/34/46/08/306344608.db2.gz JMVQXAXIQXNCAK-ZHALLVOQSA-N 2 2 337.508 1.773 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CC(F)(F)C[NH3+])c1ccc(F)cc1 ZINC000563818853 306348489 /nfs/dbraw/zinc/34/84/89/306348489.db2.gz DAIUWIWHYLMLQI-CYBMUJFWSA-N 2 2 326.322 1.749 20 0 EDADLP CC(C)c1[nH+]c(CNCCC[N@@H+]2CCC[C@H]2C(N)=O)c2ccccn21 ZINC000563965014 306353696 /nfs/dbraw/zinc/35/36/96/306353696.db2.gz RXBXSAOLQPVQOD-KRWDZBQOSA-N 2 2 343.475 1.887 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H]1CCn2cc[nH+]c2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000369664192 155131899 /nfs/dbraw/zinc/13/18/99/155131899.db2.gz LIDJTPHSZSJUOX-KONPQCLYSA-N 2 2 348.491 1.696 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000369665088 155131931 /nfs/dbraw/zinc/13/19/31/155131931.db2.gz NWMQEUUVTJRORY-KBPBESRZSA-N 2 2 334.464 1.475 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000369665088 155131932 /nfs/dbraw/zinc/13/19/32/155131932.db2.gz NWMQEUUVTJRORY-KBPBESRZSA-N 2 2 334.464 1.475 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000369665088 155131933 /nfs/dbraw/zinc/13/19/33/155131933.db2.gz NWMQEUUVTJRORY-KBPBESRZSA-N 2 2 334.464 1.475 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000369665088 155131934 /nfs/dbraw/zinc/13/19/34/155131934.db2.gz NWMQEUUVTJRORY-KBPBESRZSA-N 2 2 334.464 1.475 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000564850360 306367493 /nfs/dbraw/zinc/36/74/93/306367493.db2.gz XOCGOHITMKIPPN-YDHLFZDLSA-N 2 2 326.412 1.394 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H](O)COCC3CC3)c2cc1C ZINC000564977307 306371699 /nfs/dbraw/zinc/37/16/99/306371699.db2.gz WJTHGSDFTBCYHY-IRXDYDNUSA-N 2 2 347.459 1.391 20 0 EDADLP COc1c(N)[nH+]cnc1N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000565223442 306379375 /nfs/dbraw/zinc/37/93/75/306379375.db2.gz ZFJVIRDEEJQPKO-CQSZACIVSA-N 2 2 342.447 1.690 20 0 EDADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000565895079 306394301 /nfs/dbraw/zinc/39/43/01/306394301.db2.gz PCVLDDKHBGEKQC-WDEREUQCSA-N 2 2 341.253 1.842 20 0 EDADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000565895079 306394302 /nfs/dbraw/zinc/39/43/02/306394302.db2.gz PCVLDDKHBGEKQC-WDEREUQCSA-N 2 2 341.253 1.842 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cnc(C)nc3C)CC2)CC1 ZINC000566083981 306398051 /nfs/dbraw/zinc/39/80/51/306398051.db2.gz ADFZDBMXENFIQW-UHFFFAOYSA-N 2 2 345.491 1.726 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cnc(C)nc3C)CC2)CC1 ZINC000566083981 306398052 /nfs/dbraw/zinc/39/80/52/306398052.db2.gz ADFZDBMXENFIQW-UHFFFAOYSA-N 2 2 345.491 1.726 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000566090925 306398460 /nfs/dbraw/zinc/39/84/60/306398460.db2.gz SSHZLEHNQTWCRA-GDBMZVCRSA-N 2 2 325.478 1.394 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000075346698 216609207 /nfs/dbraw/zinc/60/92/07/216609207.db2.gz QVQBARDSZFYIDS-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566854456 306430604 /nfs/dbraw/zinc/43/06/04/306430604.db2.gz PWQIOPCKNHBSJU-KGLIPLIRSA-N 2 2 326.404 1.124 20 0 EDADLP COc1c(Br)cccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415031388 304152562 /nfs/dbraw/zinc/15/25/62/304152562.db2.gz DYNSLNQIJCUGOH-GFCCVEGCSA-N 2 2 329.238 1.926 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000154587391 284199454 /nfs/dbraw/zinc/19/94/54/284199454.db2.gz JBMZKJNNBXJDSS-RDJZCZTQSA-N 2 2 344.459 1.420 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000154587391 284199455 /nfs/dbraw/zinc/19/94/55/284199455.db2.gz JBMZKJNNBXJDSS-RDJZCZTQSA-N 2 2 344.459 1.420 20 0 EDADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415093336 304158961 /nfs/dbraw/zinc/15/89/61/304158961.db2.gz HWPYXOBBINJRDU-GOSISDBHSA-N 2 2 343.427 1.747 20 0 EDADLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000567229195 306443119 /nfs/dbraw/zinc/44/31/19/306443119.db2.gz YTSRAUVUEZALIF-AWEZNQCLSA-N 2 2 346.387 1.657 20 0 EDADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000236829758 139032891 /nfs/dbraw/zinc/03/28/91/139032891.db2.gz LGJBUDFDFRSGHW-INIZCTEOSA-N 2 2 328.416 1.982 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237366068 139049329 /nfs/dbraw/zinc/04/93/29/139049329.db2.gz MBIXAQGXGMDNBH-IRXDYDNUSA-N 2 2 330.476 1.752 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000079953555 217266484 /nfs/dbraw/zinc/26/64/84/217266484.db2.gz IIMPJYGWISCUHV-UHFFFAOYSA-N 2 2 327.432 1.614 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237608267 139055632 /nfs/dbraw/zinc/05/56/32/139055632.db2.gz SLZGKBUYHGEVMH-CRAIPNDOSA-N 3 2 332.492 1.465 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000237685299 139057993 /nfs/dbraw/zinc/05/79/93/139057993.db2.gz IFCRRQSUUZBADC-AWEZNQCLSA-N 2 2 332.379 1.396 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237716340 139058597 /nfs/dbraw/zinc/05/85/97/139058597.db2.gz DRKLIJDDYRYPPV-MRXNPFEDSA-N 2 2 349.500 1.861 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000238058859 139067948 /nfs/dbraw/zinc/06/79/48/139067948.db2.gz WFPYLXUHUNZDPI-OAHLLOKOSA-N 2 2 334.489 1.783 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000238073731 139068186 /nfs/dbraw/zinc/06/81/86/139068186.db2.gz DFPJTMJOVYPNMS-KRWDZBQOSA-N 2 2 329.469 1.962 20 0 EDADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CCCC[NH2+]1 ZINC000238081865 139068425 /nfs/dbraw/zinc/06/84/25/139068425.db2.gz QBALBYXIBKNQLI-GOSISDBHSA-N 2 2 347.459 1.156 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000238089088 139068785 /nfs/dbraw/zinc/06/87/85/139068785.db2.gz REJDUYMMKXAVOY-IRXDYDNUSA-N 2 2 349.500 1.099 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000238089088 139068786 /nfs/dbraw/zinc/06/87/86/139068786.db2.gz REJDUYMMKXAVOY-IRXDYDNUSA-N 2 2 349.500 1.099 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000245421990 139073654 /nfs/dbraw/zinc/07/36/54/139073654.db2.gz IHOGJZMOCPVKGL-IAGOWNOFSA-N 2 2 345.491 1.002 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000245421990 139073655 /nfs/dbraw/zinc/07/36/55/139073655.db2.gz IHOGJZMOCPVKGL-IAGOWNOFSA-N 2 2 345.491 1.002 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000245434587 139074550 /nfs/dbraw/zinc/07/45/50/139074550.db2.gz CJKKVTLCUZLFMI-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000245434587 139074551 /nfs/dbraw/zinc/07/45/51/139074551.db2.gz CJKKVTLCUZLFMI-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000245434587 139074552 /nfs/dbraw/zinc/07/45/52/139074552.db2.gz CJKKVTLCUZLFMI-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000245442744 139075089 /nfs/dbraw/zinc/07/50/89/139075089.db2.gz IGYMWMRGLITAKC-HZPDHXFCSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000245442744 139075090 /nfs/dbraw/zinc/07/50/90/139075090.db2.gz IGYMWMRGLITAKC-HZPDHXFCSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000245442744 139075091 /nfs/dbraw/zinc/07/50/91/139075091.db2.gz IGYMWMRGLITAKC-HZPDHXFCSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000245442744 139075092 /nfs/dbraw/zinc/07/50/92/139075092.db2.gz IGYMWMRGLITAKC-HZPDHXFCSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000245434587 139074549 /nfs/dbraw/zinc/07/45/49/139074549.db2.gz CJKKVTLCUZLFMI-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245502009 139077239 /nfs/dbraw/zinc/07/72/39/139077239.db2.gz BKLKZYABYDTKQU-JKSUJKDBSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245502009 139077240 /nfs/dbraw/zinc/07/72/40/139077240.db2.gz BKLKZYABYDTKQU-JKSUJKDBSA-N 2 2 331.464 1.834 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000245703851 139083836 /nfs/dbraw/zinc/08/38/36/139083836.db2.gz BSCLCTNHYSSTRE-WMZOPIPTSA-N 2 2 348.491 1.979 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000245703851 139083837 /nfs/dbraw/zinc/08/38/37/139083837.db2.gz BSCLCTNHYSSTRE-WMZOPIPTSA-N 2 2 348.491 1.979 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000245703851 139083838 /nfs/dbraw/zinc/08/38/38/139083838.db2.gz BSCLCTNHYSSTRE-WMZOPIPTSA-N 2 2 348.491 1.979 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000245703851 139083839 /nfs/dbraw/zinc/08/38/39/139083839.db2.gz BSCLCTNHYSSTRE-WMZOPIPTSA-N 2 2 348.491 1.979 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246488112 139110469 /nfs/dbraw/zinc/11/04/69/139110469.db2.gz SBEWABGAXRELCP-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246488112 139110470 /nfs/dbraw/zinc/11/04/70/139110470.db2.gz SBEWABGAXRELCP-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246488112 139110471 /nfs/dbraw/zinc/11/04/71/139110471.db2.gz SBEWABGAXRELCP-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246488112 139110472 /nfs/dbraw/zinc/11/04/72/139110472.db2.gz SBEWABGAXRELCP-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153940913 284511377 /nfs/dbraw/zinc/51/13/77/284511377.db2.gz SFUPZXSYFMJDGA-OKZBNKHCSA-N 2 2 338.540 1.734 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246663595 139116851 /nfs/dbraw/zinc/11/68/51/139116851.db2.gz JBJWZXHXTQRERQ-ZWKOTPCHSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246663595 139116852 /nfs/dbraw/zinc/11/68/52/139116852.db2.gz JBJWZXHXTQRERQ-ZWKOTPCHSA-N 2 2 334.460 1.389 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000247145686 139137816 /nfs/dbraw/zinc/13/78/16/139137816.db2.gz ZWZAGWZLHQSPSZ-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000247145686 139137817 /nfs/dbraw/zinc/13/78/17/139137817.db2.gz ZWZAGWZLHQSPSZ-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000247145686 139137818 /nfs/dbraw/zinc/13/78/18/139137818.db2.gz ZWZAGWZLHQSPSZ-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000247145686 139137819 /nfs/dbraw/zinc/13/78/19/139137819.db2.gz ZWZAGWZLHQSPSZ-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP CO[C@H](CC(C)C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000415361268 304203850 /nfs/dbraw/zinc/20/38/50/304203850.db2.gz 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COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247700644 139154160 /nfs/dbraw/zinc/15/41/60/139154160.db2.gz UOPJIQPSMZBXPB-ZACQAIPSSA-N 2 2 349.479 1.586 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247700644 139154161 /nfs/dbraw/zinc/15/41/61/139154161.db2.gz UOPJIQPSMZBXPB-ZACQAIPSSA-N 2 2 349.479 1.586 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248063607 139158001 /nfs/dbraw/zinc/15/80/01/139158001.db2.gz MAZVVJHLGWCTOI-IEBWSBKVSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248063607 139158002 /nfs/dbraw/zinc/15/80/02/139158002.db2.gz MAZVVJHLGWCTOI-IEBWSBKVSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248063607 139158003 /nfs/dbraw/zinc/15/80/03/139158003.db2.gz MAZVVJHLGWCTOI-IEBWSBKVSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248063607 139158004 /nfs/dbraw/zinc/15/80/04/139158004.db2.gz MAZVVJHLGWCTOI-IEBWSBKVSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248168114 139159235 /nfs/dbraw/zinc/15/92/35/139159235.db2.gz UEWRFUCBWNQLEN-NSHGMRRFSA-N 3 2 345.535 1.518 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248168114 139159236 /nfs/dbraw/zinc/15/92/36/139159236.db2.gz UEWRFUCBWNQLEN-NSHGMRRFSA-N 3 2 345.535 1.518 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC000093046177 218189624 /nfs/dbraw/zinc/18/96/24/218189624.db2.gz VXELPWZZKMFXFX-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261632589 139212951 /nfs/dbraw/zinc/21/29/51/139212951.db2.gz FNTMEBJRTZDDAN-ACJLOTCBSA-N 2 2 335.448 1.552 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261632589 139212952 /nfs/dbraw/zinc/21/29/52/139212952.db2.gz FNTMEBJRTZDDAN-ACJLOTCBSA-N 2 2 335.448 1.552 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)c1c(F)cccc1F ZINC000261671615 139216067 /nfs/dbraw/zinc/21/60/67/139216067.db2.gz GGPDGUGGUDJGBY-ZBFHGGJFSA-N 2 2 341.402 1.438 20 0 EDADLP Oc1cc(F)cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261672023 139216276 /nfs/dbraw/zinc/21/62/76/139216276.db2.gz GVTHQRILYRVACC-UHFFFAOYSA-N 2 2 331.395 1.606 20 0 EDADLP C[NH2+][C@H](C)Cc1noc(Cc2c(C)[nH+]c3c(c(=O)[nH]n3C)c2C)n1 ZINC000261855449 139231715 /nfs/dbraw/zinc/23/17/15/139231715.db2.gz TXDAZWAAQIGDEJ-MRVPVSSYSA-N 2 2 330.392 1.003 20 0 EDADLP [NH3+][C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CCOCC1 ZINC000261901845 139235451 /nfs/dbraw/zinc/23/54/51/139235451.db2.gz WPHGTGLRRAHENO-KRWDZBQOSA-N 2 2 333.432 1.211 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261935011 139238392 /nfs/dbraw/zinc/23/83/92/139238392.db2.gz KGNHDFLVWBVGSN-HNNXBMFYSA-N 2 2 325.478 1.368 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261935011 139238393 /nfs/dbraw/zinc/23/83/93/139238393.db2.gz KGNHDFLVWBVGSN-HNNXBMFYSA-N 2 2 325.478 1.368 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000262028527 139244959 /nfs/dbraw/zinc/24/49/59/139244959.db2.gz SBZMSFRSFHKJMT-HYVNUMGLSA-N 2 2 337.489 1.085 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000262028527 139244960 /nfs/dbraw/zinc/24/49/60/139244960.db2.gz SBZMSFRSFHKJMT-HYVNUMGLSA-N 2 2 337.489 1.085 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415942692 251037104 /nfs/dbraw/zinc/03/71/04/251037104.db2.gz BXCZQORNEVUJHW-GDBMZVCRSA-N 2 2 348.447 1.351 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000416882606 251117592 /nfs/dbraw/zinc/11/75/92/251117592.db2.gz AIUISGQAKPAAJO-KBPBESRZSA-N 2 2 333.823 1.824 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+]C[C@H]3C)c[nH+]2)C[C@@H](C)O1 ZINC000416987270 251118852 /nfs/dbraw/zinc/11/88/52/251118852.db2.gz MNLNZGNYTOHHHB-RBSFLKMASA-N 2 2 347.463 1.199 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)c[nH+]1 ZINC000416993307 251120883 /nfs/dbraw/zinc/12/08/83/251120883.db2.gz SDIKOVPHWOKKOL-GFCCVEGCSA-N 2 2 329.395 1.710 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[C@@H](C)C[NH2+]1 ZINC000416993278 251121028 /nfs/dbraw/zinc/12/10/28/251121028.db2.gz MHAOCTAOMVNFLV-CABCVRRESA-N 2 2 327.432 1.823 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416992076 251121193 /nfs/dbraw/zinc/12/11/93/251121193.db2.gz QQHNWEVUBJVTBK-MCIONIFRSA-N 2 2 335.452 1.102 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000262323812 139270338 /nfs/dbraw/zinc/27/03/38/139270338.db2.gz ROKZIIVCJOWGQO-VBQJREDUSA-N 2 2 333.432 1.395 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]1 ZINC000417271683 251151310 /nfs/dbraw/zinc/15/13/10/251151310.db2.gz RDCKXFHAEXSQHS-GXTWGEPZSA-N 2 2 331.395 1.951 20 0 EDADLP [NH3+]CC1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCOCC1 ZINC000262362015 139273116 /nfs/dbraw/zinc/27/31/16/139273116.db2.gz VFQRZNNVXYIQSG-UHFFFAOYSA-N 2 2 332.448 1.444 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000417758540 251257249 /nfs/dbraw/zinc/25/72/49/251257249.db2.gz CIKAWIWBORNQJU-INIZCTEOSA-N 3 2 339.528 1.219 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CCO1 ZINC000417837547 251291634 /nfs/dbraw/zinc/29/16/34/251291634.db2.gz VKFSJOARQRMUFK-CHWSQXEVSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@@H]1C[N@H+]([C@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CCO1 ZINC000417837547 251291638 /nfs/dbraw/zinc/29/16/38/251291638.db2.gz VKFSJOARQRMUFK-CHWSQXEVSA-N 2 2 340.493 1.546 20 0 EDADLP C[NH2+][C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1cnn(C)c1 ZINC000262472369 139281253 /nfs/dbraw/zinc/28/12/53/139281253.db2.gz YLIFQXHABXSGBJ-CQSZACIVSA-N 2 2 348.476 1.762 20 0 EDADLP C[C@H](c1cccc(NC(=O)C[C@H]2COCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000262472396 139281323 /nfs/dbraw/zinc/28/13/23/139281323.db2.gz YLQZUCPWFPKJHG-PBHICJAKSA-N 2 2 333.432 1.397 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1)[C@H]1CCC[NH2+]1 ZINC000262503280 139282886 /nfs/dbraw/zinc/28/28/86/139282886.db2.gz MFIOXIJOKNBXBH-NWDGAFQWSA-N 2 2 342.896 1.877 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1)[C@H]1CCC[NH2+]1 ZINC000262503280 139282887 /nfs/dbraw/zinc/28/28/87/139282887.db2.gz MFIOXIJOKNBXBH-NWDGAFQWSA-N 2 2 342.896 1.877 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418113635 251326597 /nfs/dbraw/zinc/32/65/97/251326597.db2.gz JTUHCYMDWXEFGF-QGZVFWFLSA-N 2 2 346.475 1.413 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000418445046 251372438 /nfs/dbraw/zinc/37/24/38/251372438.db2.gz MUYMTOWIZVXSLI-NVXWUHKLSA-N 2 2 333.480 1.987 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@@H](C)C2C[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000262545650 139285562 /nfs/dbraw/zinc/28/55/62/139285562.db2.gz NZRDTCVAXWIIHA-LRDDRELGSA-N 2 2 328.416 1.490 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418345148 251361445 /nfs/dbraw/zinc/36/14/45/251361445.db2.gz LBIMUFQMIMNMJL-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418345148 251361449 /nfs/dbraw/zinc/36/14/49/251361449.db2.gz LBIMUFQMIMNMJL-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418719823 251397254 /nfs/dbraw/zinc/39/72/54/251397254.db2.gz LEDVQIMZTJIXIR-CVEARBPZSA-N 3 2 339.528 1.171 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418719823 251397258 /nfs/dbraw/zinc/39/72/58/251397258.db2.gz LEDVQIMZTJIXIR-CVEARBPZSA-N 3 2 339.528 1.171 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000418703306 251388310 /nfs/dbraw/zinc/38/83/10/251388310.db2.gz QVVFNSJYICSEAP-HOCLYGCPSA-N 2 2 326.485 1.256 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000418703306 251388314 /nfs/dbraw/zinc/38/83/14/251388314.db2.gz QVVFNSJYICSEAP-HOCLYGCPSA-N 2 2 326.485 1.256 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262788645 139303669 /nfs/dbraw/zinc/30/36/69/139303669.db2.gz NZZLYOROPXKNSA-HNNXBMFYSA-N 2 2 338.415 1.428 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000422879001 252010724 /nfs/dbraw/zinc/01/07/24/252010724.db2.gz JXHPSWLHXBVIMQ-SFHVURJKSA-N 3 2 330.476 1.306 20 0 EDADLP FC(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423094244 252036597 /nfs/dbraw/zinc/03/65/97/252036597.db2.gz BLAFTCNRAYNRGW-KFWWJZLASA-N 2 2 341.402 1.972 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000423415033 252054211 /nfs/dbraw/zinc/05/42/11/252054211.db2.gz DDFBUIGBLWPULN-XJKSGUPXSA-N 2 2 341.477 1.014 20 0 EDADLP CC[N@H+](CC(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1Cl ZINC000423545694 252061087 /nfs/dbraw/zinc/06/10/87/252061087.db2.gz YIIOTWCSLORBLQ-CQSZACIVSA-N 2 2 325.840 1.348 20 0 EDADLP CC[N@@H+](CC(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1Cl ZINC000423545694 252061089 /nfs/dbraw/zinc/06/10/89/252061089.db2.gz YIIOTWCSLORBLQ-CQSZACIVSA-N 2 2 325.840 1.348 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CC[C@H](C)[NH3+])c2)CC1 ZINC000423849705 252090381 /nfs/dbraw/zinc/09/03/81/252090381.db2.gz SIIFPHJIGULTMB-AWEZNQCLSA-N 2 2 332.448 1.417 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423863813 252095140 /nfs/dbraw/zinc/09/51/40/252095140.db2.gz XCOCNSUIXMSCCS-UONOGXRCSA-N 2 2 327.469 1.106 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423863813 252095142 /nfs/dbraw/zinc/09/51/42/252095142.db2.gz XCOCNSUIXMSCCS-UONOGXRCSA-N 2 2 327.469 1.106 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000423863385 252095188 /nfs/dbraw/zinc/09/51/88/252095188.db2.gz HXHXAFODWSVHTO-KSSFIOAISA-N 2 2 331.460 1.889 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000423863385 252095190 /nfs/dbraw/zinc/09/51/90/252095190.db2.gz HXHXAFODWSVHTO-KSSFIOAISA-N 2 2 331.460 1.889 20 0 EDADLP C[C@]1(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC[NH2+]C1 ZINC000423932607 252105438 /nfs/dbraw/zinc/10/54/38/252105438.db2.gz SUZOLGYYFXAHSS-BEFAXECRSA-N 2 2 344.459 1.661 20 0 EDADLP Cc1nc(N2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)cc[nH+]1 ZINC000423783931 252073145 /nfs/dbraw/zinc/07/31/45/252073145.db2.gz OVWRQQQNFXSBQH-SFYZZRBRSA-N 2 2 343.475 1.587 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCNC(=O)CCCc2ccccc2)n1C ZINC000424191869 252158364 /nfs/dbraw/zinc/15/83/64/252158364.db2.gz SDXPIRAXYSMPTD-UHFFFAOYSA-N 2 2 343.475 1.715 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)cn2c1 ZINC000424126990 252131405 /nfs/dbraw/zinc/13/14/05/252131405.db2.gz CLODTHJQDBPBLM-CQSZACIVSA-N 2 2 339.403 1.089 20 0 EDADLP Cc1noc([C@@H](C)N2CC[NH+](C[C@H](C[NH3+])c3ccc(F)cc3)CC2)n1 ZINC000424278365 252188162 /nfs/dbraw/zinc/18/81/62/252188162.db2.gz DEQDQWGZDLMHDP-CJNGLKHVSA-N 2 2 347.438 1.938 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000424289916 252189685 /nfs/dbraw/zinc/18/96/85/252189685.db2.gz CQXDLIGDXWIETK-IAOVAPTHSA-N 2 2 344.459 2.000 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424330770 252196122 /nfs/dbraw/zinc/19/61/22/252196122.db2.gz IHNYINUGZDGRIL-GDBMZVCRSA-N 2 2 332.448 1.163 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424335095 252197444 /nfs/dbraw/zinc/19/74/44/252197444.db2.gz OLBHRJMIJNWWBX-BPLDGKMQSA-N 2 2 335.448 1.568 20 0 EDADLP Brc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc1 ZINC000261588100 532962996 /nfs/dbraw/zinc/96/29/96/532962996.db2.gz JVSBFAYVSIZVAF-AWEZNQCLSA-N 2 2 325.254 1.324 20 0 EDADLP Brc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc1 ZINC000261588100 532963001 /nfs/dbraw/zinc/96/30/01/532963001.db2.gz JVSBFAYVSIZVAF-AWEZNQCLSA-N 2 2 325.254 1.324 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1F ZINC000263020323 139318053 /nfs/dbraw/zinc/31/80/53/139318053.db2.gz QVDMAPPAPFGYEU-CYBMUJFWSA-N 2 2 338.333 1.933 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425901004 252313215 /nfs/dbraw/zinc/31/32/15/252313215.db2.gz PGLURBJRMPMWEI-UHFFFAOYSA-N 3 2 336.480 1.732 20 0 EDADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000263039879 139319262 /nfs/dbraw/zinc/31/92/62/139319262.db2.gz SRLVOQZPPCRCAB-PKOBYXMFSA-N 2 2 331.460 1.944 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)/C=C\C[NH+](C)C)CC2)cc1 ZINC000491640985 255136335 /nfs/dbraw/zinc/13/63/35/255136335.db2.gz KBCBJXKMUCJXBA-WAYWQWQTSA-N 2 2 331.460 1.847 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493893806 255225043 /nfs/dbraw/zinc/22/50/43/255225043.db2.gz JDPDXYBBLOWJPK-WCXIOVBPSA-N 2 2 335.492 1.476 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493893806 255225044 /nfs/dbraw/zinc/22/50/44/255225044.db2.gz JDPDXYBBLOWJPK-WCXIOVBPSA-N 2 2 335.492 1.476 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000493235082 255198606 /nfs/dbraw/zinc/19/86/06/255198606.db2.gz PYEJDZKZKAMGPS-NSCUHMNNSA-N 2 2 346.353 1.536 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)CCO1 ZINC000494711536 255259446 /nfs/dbraw/zinc/25/94/46/255259446.db2.gz QHLOGHFZSFWKOQ-GVDBMIGSSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)CCO1 ZINC000494711536 255259447 /nfs/dbraw/zinc/25/94/47/255259447.db2.gz QHLOGHFZSFWKOQ-GVDBMIGSSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000494711536 255259448 /nfs/dbraw/zinc/25/94/48/255259448.db2.gz QHLOGHFZSFWKOQ-GVDBMIGSSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000494711536 255259449 /nfs/dbraw/zinc/25/94/49/255259449.db2.gz QHLOGHFZSFWKOQ-GVDBMIGSSA-N 2 2 340.512 1.517 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494888319 255264360 /nfs/dbraw/zinc/26/43/60/255264360.db2.gz HLNZLSFTKBBJMN-QZTJIDSGSA-N 2 2 329.444 1.343 20 0 EDADLP CC[N@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000495679055 255314606 /nfs/dbraw/zinc/31/46/06/255314606.db2.gz GCPKKLQDYZIWAQ-MRXNPFEDSA-N 2 2 340.512 1.565 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3ncnc4c3C[N@H+](C)CC4)CC2)c1 ZINC000264058294 139378251 /nfs/dbraw/zinc/37/82/51/139378251.db2.gz DAAOFFFHPMFBNS-UHFFFAOYSA-N 2 2 340.431 1.195 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3ncnc4c3C[N@@H+](C)CC4)CC2)c1 ZINC000264058294 139378252 /nfs/dbraw/zinc/37/82/52/139378252.db2.gz DAAOFFFHPMFBNS-UHFFFAOYSA-N 2 2 340.431 1.195 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119477838 221329163 /nfs/dbraw/zinc/32/91/63/221329163.db2.gz ZFAIZIMLGIBURK-HTUJPFKRSA-N 2 2 348.535 1.630 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119477838 221329165 /nfs/dbraw/zinc/32/91/65/221329165.db2.gz ZFAIZIMLGIBURK-HTUJPFKRSA-N 2 2 348.535 1.630 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119477838 221329171 /nfs/dbraw/zinc/32/91/71/221329171.db2.gz ZFAIZIMLGIBURK-HTUJPFKRSA-N 2 2 348.535 1.630 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119477838 221329174 /nfs/dbraw/zinc/32/91/74/221329174.db2.gz ZFAIZIMLGIBURK-HTUJPFKRSA-N 2 2 348.535 1.630 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)NCc1ccco1 ZINC000299739943 258010384 /nfs/dbraw/zinc/01/03/84/258010384.db2.gz TYUBYJVPTSYAGZ-CQSZACIVSA-N 2 2 328.416 1.918 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)NCc1ccco1 ZINC000299739943 258010385 /nfs/dbraw/zinc/01/03/85/258010385.db2.gz TYUBYJVPTSYAGZ-CQSZACIVSA-N 2 2 328.416 1.918 20 0 EDADLP [NH3+]C[C@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000415848801 304281390 /nfs/dbraw/zinc/28/13/90/304281390.db2.gz VRHZAYAMTPNHTE-INIZCTEOSA-N 2 2 341.415 1.445 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000415906755 304284830 /nfs/dbraw/zinc/28/48/30/304284830.db2.gz LRGVSUYPXKQJKW-HNNXBMFYSA-N 2 2 333.480 1.554 20 0 EDADLP COC(=O)CN1CCC([NH2+]CCCc2[nH+]c3ccccc3n2C)CC1 ZINC000183331231 533502634 /nfs/dbraw/zinc/50/26/34/533502634.db2.gz HVMLZKVPZZSMMS-UHFFFAOYSA-N 2 2 344.459 1.733 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269921792 140018812 /nfs/dbraw/zinc/01/88/12/140018812.db2.gz GOWHGYMMYJKBAR-IJEWVQPXSA-N 2 2 329.448 1.442 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269921792 140018815 /nfs/dbraw/zinc/01/88/15/140018815.db2.gz GOWHGYMMYJKBAR-IJEWVQPXSA-N 2 2 329.448 1.442 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000270921739 140199059 /nfs/dbraw/zinc/19/90/59/140199059.db2.gz CZKLWPWUVHTBOW-AWEZNQCLSA-N 2 2 337.489 1.191 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000270921739 140199061 /nfs/dbraw/zinc/19/90/61/140199061.db2.gz CZKLWPWUVHTBOW-AWEZNQCLSA-N 2 2 337.489 1.191 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000271004200 140218616 /nfs/dbraw/zinc/21/86/16/140218616.db2.gz MBASVUBBCGVBCR-IBGZPJMESA-N 2 2 347.503 1.465 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)CCc1ccccc1 ZINC000271004200 140218618 /nfs/dbraw/zinc/21/86/18/140218618.db2.gz MBASVUBBCGVBCR-IBGZPJMESA-N 2 2 347.503 1.465 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1nc2ccccc2n1C ZINC000271733815 140341244 /nfs/dbraw/zinc/34/12/44/140341244.db2.gz PEBWRPXFEAUYPY-CZUORRHYSA-N 2 2 329.448 1.564 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1nc2ccccc2n1C ZINC000271733815 140341245 /nfs/dbraw/zinc/34/12/45/140341245.db2.gz PEBWRPXFEAUYPY-CZUORRHYSA-N 2 2 329.448 1.564 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(CO)c(F)c2)CC1 ZINC000271797522 140351655 /nfs/dbraw/zinc/35/16/55/140351655.db2.gz KJBKCAZCVHYZRG-UHFFFAOYSA-N 2 2 338.423 1.825 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC000272039454 140391162 /nfs/dbraw/zinc/39/11/62/140391162.db2.gz QQFGPWWHNOPBDI-UHFFFAOYSA-N 2 2 328.416 1.676 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000272093647 140399681 /nfs/dbraw/zinc/39/96/81/140399681.db2.gz YLRJTFJGSCITBE-UHFFFAOYSA-N 2 2 345.447 1.610 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272093647 140399682 /nfs/dbraw/zinc/39/96/82/140399682.db2.gz YLRJTFJGSCITBE-UHFFFAOYSA-N 2 2 345.447 1.610 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331388707 141015491 /nfs/dbraw/zinc/01/54/91/141015491.db2.gz ISWIUVAHIRYAQL-ZDUSSCGKSA-N 2 2 330.436 1.967 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000331658686 141063449 /nfs/dbraw/zinc/06/34/49/141063449.db2.gz XYSCVTXSZGPGSN-ZWKOTPCHSA-N 2 2 349.450 1.534 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CC1 ZINC000331658686 141063450 /nfs/dbraw/zinc/06/34/50/141063450.db2.gz XYSCVTXSZGPGSN-ZWKOTPCHSA-N 2 2 349.450 1.534 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N3CC[NH2+]C(C)(C)C3)c[nH+]2)CCO1 ZINC000332022943 141112019 /nfs/dbraw/zinc/11/20/19/141112019.db2.gz GDJGIZRNQCRXTC-AWEZNQCLSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+]C[C@@H]3C)c[nH+]2)C[C@@H](C)O1 ZINC000332053286 141115569 /nfs/dbraw/zinc/11/55/69/141115569.db2.gz MNLNZGNYTOHHHB-RRFJBIMHSA-N 2 2 347.463 1.199 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332393549 141174453 /nfs/dbraw/zinc/17/44/53/141174453.db2.gz XREKYKQYFYWLOQ-XJKSGUPXSA-N 2 2 332.448 1.529 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332393549 141174454 /nfs/dbraw/zinc/17/44/54/141174454.db2.gz XREKYKQYFYWLOQ-XJKSGUPXSA-N 2 2 332.448 1.529 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc[nH+]1 ZINC000332519896 141195278 /nfs/dbraw/zinc/19/52/78/141195278.db2.gz BSTLEPNLJMJEDS-HUUCEWRRSA-N 2 2 332.452 1.134 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000332533539 141197685 /nfs/dbraw/zinc/19/76/85/141197685.db2.gz RVPBPDAPIYDJDF-INMHGKMJSA-N 2 2 331.464 1.468 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C2 ZINC000332616912 141215847 /nfs/dbraw/zinc/21/58/47/141215847.db2.gz LRFLXAUSEGVXAO-ZDUSSCGKSA-N 2 2 333.436 1.212 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C[N@@H+]1C1CC1 ZINC000333062728 141257695 /nfs/dbraw/zinc/25/76/95/141257695.db2.gz SRDSBMOVQOKDNW-VWPFQQQWSA-N 2 2 347.463 1.565 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C[N@H+]1C1CC1 ZINC000333062728 141257697 /nfs/dbraw/zinc/25/76/97/141257697.db2.gz SRDSBMOVQOKDNW-VWPFQQQWSA-N 2 2 347.463 1.565 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333867402 141397804 /nfs/dbraw/zinc/39/78/04/141397804.db2.gz BBQYJGOXAMKOKN-UHFFFAOYSA-N 2 2 327.432 1.662 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)C2=O)n(C)n1 ZINC000339441597 142046529 /nfs/dbraw/zinc/04/65/29/142046529.db2.gz XWZLMEYMBGCKKQ-MAUKXSAKSA-N 2 2 331.464 1.252 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)C2=O)n(C)n1 ZINC000339441597 142046530 /nfs/dbraw/zinc/04/65/30/142046530.db2.gz XWZLMEYMBGCKKQ-MAUKXSAKSA-N 2 2 331.464 1.252 20 0 EDADLP Cc1cc(N2CC[C@H]([NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)C2=O)n(C)n1 ZINC000339441597 142046532 /nfs/dbraw/zinc/04/65/32/142046532.db2.gz XWZLMEYMBGCKKQ-MAUKXSAKSA-N 2 2 331.464 1.252 20 0 EDADLP Cc1cc(N2CC[C@H]([NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)C2=O)n(C)n1 ZINC000339441597 142046533 /nfs/dbraw/zinc/04/65/33/142046533.db2.gz XWZLMEYMBGCKKQ-MAUKXSAKSA-N 2 2 331.464 1.252 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339526272 142066207 /nfs/dbraw/zinc/06/62/07/142066207.db2.gz CJYSSBZGHRLBLS-INIZCTEOSA-N 2 2 349.479 1.160 20 0 EDADLP CC[C@H]1CO[C@H](C)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340258355 142322357 /nfs/dbraw/zinc/32/23/57/142322357.db2.gz XAJPOQSYJGFOPG-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccncc1F ZINC000340395161 142375530 /nfs/dbraw/zinc/37/55/30/142375530.db2.gz OTZORRNQTXNEPI-AVOUXACISA-N 2 2 334.439 1.955 20 0 EDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccncc1F ZINC000340395161 142375532 /nfs/dbraw/zinc/37/55/32/142375532.db2.gz OTZORRNQTXNEPI-AVOUXACISA-N 2 2 334.439 1.955 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000345201837 143063811 /nfs/dbraw/zinc/06/38/11/143063811.db2.gz KQDPZKJYAFUEOJ-UHFFFAOYSA-N 2 2 348.451 1.893 20 0 EDADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000345281698 143073001 /nfs/dbraw/zinc/07/30/01/143073001.db2.gz RBYNOHVUJFYFSH-UHFFFAOYSA-N 2 2 340.512 1.616 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000346113910 143169224 /nfs/dbraw/zinc/16/92/24/143169224.db2.gz NYMNYGNLTINMKG-KRWDZBQOSA-N 2 2 326.444 1.866 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000346187808 143176742 /nfs/dbraw/zinc/17/67/42/143176742.db2.gz OFTFUHGBNNRKSB-JYJNAYRXSA-N 2 2 332.510 1.148 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C1 ZINC000346187808 143176743 /nfs/dbraw/zinc/17/67/43/143176743.db2.gz OFTFUHGBNNRKSB-JYJNAYRXSA-N 2 2 332.510 1.148 20 0 EDADLP CCOC(=O)c1cnc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)s1 ZINC000346325832 143192287 /nfs/dbraw/zinc/19/22/87/143192287.db2.gz MLMVRIXXKPZRHW-UHFFFAOYSA-N 2 2 349.460 1.647 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000347119746 143284774 /nfs/dbraw/zinc/28/47/74/143284774.db2.gz DVFRFIQCAYZQGM-SZMVWBNQSA-N 2 2 333.476 1.433 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000347119746 143284775 /nfs/dbraw/zinc/28/47/75/143284775.db2.gz DVFRFIQCAYZQGM-SZMVWBNQSA-N 2 2 333.476 1.433 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)[C@@H](C)C1 ZINC000347165115 143289870 /nfs/dbraw/zinc/28/98/70/143289870.db2.gz YKTGEDBGOFBDNL-XEZPLFJOSA-N 2 2 325.478 1.586 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)[C@@H](C)C1 ZINC000347165115 143289871 /nfs/dbraw/zinc/28/98/71/143289871.db2.gz YKTGEDBGOFBDNL-XEZPLFJOSA-N 2 2 325.478 1.586 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000347438166 143320940 /nfs/dbraw/zinc/32/09/40/143320940.db2.gz LKOSYZCNXKHIHF-GOSISDBHSA-N 2 2 328.460 1.531 20 0 EDADLP CC[C@@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)C[C@H]1[NH+]1CCOCC1 ZINC000347520208 143331593 /nfs/dbraw/zinc/33/15/93/143331593.db2.gz NWAKRBVOEYXZPP-RDTXWAMCSA-N 2 2 329.444 1.473 20 0 EDADLP Cn1[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc1=O ZINC000347536895 143332624 /nfs/dbraw/zinc/33/26/24/143332624.db2.gz IAJVYKZFAZSOGF-UHFFFAOYSA-N 2 2 341.459 1.597 20 0 EDADLP C[C@@H]1OCC[C@H]1NC(=O)[C@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000347651495 143345669 /nfs/dbraw/zinc/34/56/69/143345669.db2.gz IVHRJMHXJQQCIA-IAOVAPTHSA-N 2 2 328.416 1.095 20 0 EDADLP CC[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1C[C@H](C)O ZINC000347809101 143365793 /nfs/dbraw/zinc/36/57/93/143365793.db2.gz ITXDGVDWKITEGT-UONOGXRCSA-N 2 2 326.510 1.482 20 0 EDADLP CC[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1C[C@H](C)O ZINC000347809101 143365794 /nfs/dbraw/zinc/36/57/94/143365794.db2.gz ITXDGVDWKITEGT-UONOGXRCSA-N 2 2 326.510 1.482 20 0 EDADLP CCC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000347921813 143379556 /nfs/dbraw/zinc/37/95/56/143379556.db2.gz NKLUFQOUPCXSBE-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000347921813 143379557 /nfs/dbraw/zinc/37/95/57/143379557.db2.gz NKLUFQOUPCXSBE-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP CCN1CCN(C(=O)NCCC[NH+](CC)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000369811088 155186348 /nfs/dbraw/zinc/18/63/48/155186348.db2.gz RWAAWJCZEOHZFX-OAHLLOKOSA-N 2 2 336.484 1.530 20 0 EDADLP CCC[C@H](CCO)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369850496 155202452 /nfs/dbraw/zinc/20/24/52/155202452.db2.gz GXOHZGYRLPLKHR-CVEARBPZSA-N 2 2 340.512 1.253 20 0 EDADLP CCC[C@H](CCO)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369850496 155202454 /nfs/dbraw/zinc/20/24/54/155202454.db2.gz GXOHZGYRLPLKHR-CVEARBPZSA-N 2 2 340.512 1.253 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH3+])[NH+]2CCOCC2)s1 ZINC000417842172 292199981 /nfs/dbraw/zinc/19/99/81/292199981.db2.gz XUWYSAOMDYWJMP-DGCLKSJQSA-N 2 2 326.466 1.076 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000352699437 149120617 /nfs/dbraw/zinc/12/06/17/149120617.db2.gz QVUSUMKAYOTKCH-RBUKOAKNSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000352699437 149120620 /nfs/dbraw/zinc/12/06/20/149120620.db2.gz QVUSUMKAYOTKCH-RBUKOAKNSA-N 2 2 345.487 1.484 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352743899 149145487 /nfs/dbraw/zinc/14/54/87/149145487.db2.gz XWEYUUPIFCFGPM-AWEZNQCLSA-N 3 2 325.526 1.320 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000353299832 149356358 /nfs/dbraw/zinc/35/63/58/149356358.db2.gz FQAUDLSAQKFNRB-MRXNPFEDSA-N 2 2 332.492 1.959 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000353299832 149356361 /nfs/dbraw/zinc/35/63/61/149356361.db2.gz FQAUDLSAQKFNRB-MRXNPFEDSA-N 2 2 332.492 1.959 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)Nc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000353334869 149369774 /nfs/dbraw/zinc/36/97/74/149369774.db2.gz ZFKBEQAXEBNFCS-KBPBESRZSA-N 2 2 331.420 1.955 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000369925887 155236951 /nfs/dbraw/zinc/23/69/51/155236951.db2.gz HRLJCOUIWXYCJH-JKSUJKDBSA-N 2 2 334.464 1.576 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cncnc2)cc[nH+]1 ZINC000354911869 150027246 /nfs/dbraw/zinc/02/72/46/150027246.db2.gz ASVGKXAAQZHJCQ-GJZGRUSLSA-N 2 2 345.426 1.381 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cncnc2)cc[nH+]1 ZINC000354911869 150027250 /nfs/dbraw/zinc/02/72/50/150027250.db2.gz ASVGKXAAQZHJCQ-GJZGRUSLSA-N 2 2 345.426 1.381 20 0 EDADLP C[NH+](C)C[C@](C)(O)CNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354940109 150044477 /nfs/dbraw/zinc/04/44/77/150044477.db2.gz ZEPUPVMAKFZPBL-LJQANCHMSA-N 2 2 344.459 1.733 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355057167 150095352 /nfs/dbraw/zinc/09/53/52/150095352.db2.gz RRQBGZFZJCCJCC-HOTGVXAUSA-N 2 2 336.524 1.534 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355057167 150095355 /nfs/dbraw/zinc/09/53/55/150095355.db2.gz RRQBGZFZJCCJCC-HOTGVXAUSA-N 2 2 336.524 1.534 20 0 EDADLP CC(C)[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000355082823 150108038 /nfs/dbraw/zinc/10/80/38/150108038.db2.gz IALOWKDBQLENAW-ZWKOTPCHSA-N 2 2 333.476 1.762 20 0 EDADLP CC(C)[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000355082823 150108040 /nfs/dbraw/zinc/10/80/40/150108040.db2.gz IALOWKDBQLENAW-ZWKOTPCHSA-N 2 2 333.476 1.762 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)c[nH+]1 ZINC000416983390 304361500 /nfs/dbraw/zinc/36/15/00/304361500.db2.gz IXSPMZIWQYFPHH-HNNXBMFYSA-N 2 2 335.452 1.187 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000355255770 150187868 /nfs/dbraw/zinc/18/78/68/150187868.db2.gz RTKHRDJSVCOEOB-CYBMUJFWSA-N 2 2 338.883 1.947 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000355255770 150187870 /nfs/dbraw/zinc/18/78/70/150187870.db2.gz RTKHRDJSVCOEOB-CYBMUJFWSA-N 2 2 338.883 1.947 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000355314306 150213104 /nfs/dbraw/zinc/21/31/04/150213104.db2.gz IGIKPPMGAGLAKC-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000355314306 150213107 /nfs/dbraw/zinc/21/31/07/150213107.db2.gz IGIKPPMGAGLAKC-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC[N@H+]1CC=C(C)CC1)[NH+]1CCOCC1 ZINC000355338292 150223133 /nfs/dbraw/zinc/22/31/33/150223133.db2.gz RLEQCTNVMYJWNN-SFHVURJKSA-N 2 2 337.508 1.892 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC[N@@H+]1CC=C(C)CC1)[NH+]1CCOCC1 ZINC000355338292 150223138 /nfs/dbraw/zinc/22/31/38/150223138.db2.gz RLEQCTNVMYJWNN-SFHVURJKSA-N 2 2 337.508 1.892 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)no1 ZINC000355697908 150364496 /nfs/dbraw/zinc/36/44/96/150364496.db2.gz DPUBBKLJFARXKB-UHFFFAOYSA-N 2 2 329.404 1.530 20 0 EDADLP O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCCn2cc[nH+]c21 ZINC000370016118 155283430 /nfs/dbraw/zinc/28/34/30/155283430.db2.gz GMMAEBYVHORDIS-JYJNAYRXSA-N 2 2 332.448 1.378 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000357386244 151014412 /nfs/dbraw/zinc/01/44/12/151014412.db2.gz WOXJXIQVUVUVQH-ROUUACIJSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000357386244 151014414 /nfs/dbraw/zinc/01/44/14/151014414.db2.gz WOXJXIQVUVUVQH-ROUUACIJSA-N 2 2 335.492 1.717 20 0 EDADLP CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(CC)CC ZINC000357388994 151015759 /nfs/dbraw/zinc/01/57/59/151015759.db2.gz IWPABQIATCZWNX-CVEARBPZSA-N 2 2 325.497 1.676 20 0 EDADLP CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(CC)CC ZINC000357388994 151015762 /nfs/dbraw/zinc/01/57/62/151015762.db2.gz IWPABQIATCZWNX-CVEARBPZSA-N 2 2 325.497 1.676 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000357560927 151068091 /nfs/dbraw/zinc/06/80/91/151068091.db2.gz OPKFCXUTLDSSSD-UHFFFAOYSA-N 2 2 344.440 1.874 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357615718 151086407 /nfs/dbraw/zinc/08/64/07/151086407.db2.gz DJOBQTCOAKBGEC-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357615718 151086408 /nfs/dbraw/zinc/08/64/08/151086408.db2.gz DJOBQTCOAKBGEC-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357615711 151086575 /nfs/dbraw/zinc/08/65/75/151086575.db2.gz DJOBQTCOAKBGEC-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000357615711 151086577 /nfs/dbraw/zinc/08/65/77/151086577.db2.gz DJOBQTCOAKBGEC-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)cc1F ZINC000357650326 151101878 /nfs/dbraw/zinc/10/18/78/151101878.db2.gz QKGIJSVOJNHNKB-AWEZNQCLSA-N 2 2 337.439 1.850 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)cc1F ZINC000357650326 151101879 /nfs/dbraw/zinc/10/18/79/151101879.db2.gz QKGIJSVOJNHNKB-AWEZNQCLSA-N 2 2 337.439 1.850 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000357723178 151126330 /nfs/dbraw/zinc/12/63/30/151126330.db2.gz VFDORMGFOXZHGQ-HOCLYGCPSA-N 2 2 340.439 1.342 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000357723178 151126332 /nfs/dbraw/zinc/12/63/32/151126332.db2.gz VFDORMGFOXZHGQ-HOCLYGCPSA-N 2 2 340.439 1.342 20 0 EDADLP CO[C@H](C)[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000357725935 151127374 /nfs/dbraw/zinc/12/73/74/151127374.db2.gz FGAXKAMXIXHCGM-ZIAGYGMSSA-N 2 2 326.485 1.268 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)C1 ZINC000357987501 151224030 /nfs/dbraw/zinc/22/40/30/151224030.db2.gz DQKOXUHHZWPVEB-GOEBONIOSA-N 2 2 349.475 1.592 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(OCC(=O)N(C)C)c(OC)c2)C1 ZINC000357987501 151224032 /nfs/dbraw/zinc/22/40/32/151224032.db2.gz DQKOXUHHZWPVEB-GOEBONIOSA-N 2 2 349.475 1.592 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000358120449 151278535 /nfs/dbraw/zinc/27/85/35/151278535.db2.gz KTLZWBUHCIFCTG-NSHDSACASA-N 2 2 342.237 1.437 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000358120449 151278536 /nfs/dbraw/zinc/27/85/36/151278536.db2.gz KTLZWBUHCIFCTG-NSHDSACASA-N 2 2 342.237 1.437 20 0 EDADLP c1cncc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)CC2)c1 ZINC000358311294 151334060 /nfs/dbraw/zinc/33/40/60/151334060.db2.gz ZTJJDJMPQAOYCH-RTBURBONSA-N 2 2 331.460 1.974 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)NCc1c[nH+]cn1C)[NH+](C)C ZINC000358470290 151388079 /nfs/dbraw/zinc/38/80/79/151388079.db2.gz BVQUPYLMOVQOIL-OAHLLOKOSA-N 2 2 331.420 1.531 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000261724497 292251954 /nfs/dbraw/zinc/25/19/54/292251954.db2.gz FJYCDMKKHIVRFH-HKUYNNGSSA-N 2 2 345.487 1.874 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000360330009 151997616 /nfs/dbraw/zinc/99/76/16/151997616.db2.gz QVUUTDFKCDTJBM-LPHOPBHVSA-N 2 2 338.455 1.942 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000360330009 151997617 /nfs/dbraw/zinc/99/76/17/151997617.db2.gz QVUUTDFKCDTJBM-LPHOPBHVSA-N 2 2 338.455 1.942 20 0 EDADLP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000360464462 152055546 /nfs/dbraw/zinc/05/55/46/152055546.db2.gz CFSYIIDBQMFKNH-QAPCUYQASA-N 2 2 331.460 1.852 20 0 EDADLP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000360464462 152055550 /nfs/dbraw/zinc/05/55/50/152055550.db2.gz CFSYIIDBQMFKNH-QAPCUYQASA-N 2 2 331.460 1.852 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000360671277 152146486 /nfs/dbraw/zinc/14/64/86/152146486.db2.gz JXLCTSMASNZDNF-WBVHZDCISA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000360671277 152146488 /nfs/dbraw/zinc/14/64/88/152146488.db2.gz JXLCTSMASNZDNF-WBVHZDCISA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000360671277 152146491 /nfs/dbraw/zinc/14/64/91/152146491.db2.gz JXLCTSMASNZDNF-WBVHZDCISA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000360671277 152146493 /nfs/dbraw/zinc/14/64/93/152146493.db2.gz JXLCTSMASNZDNF-WBVHZDCISA-N 2 2 333.480 1.091 20 0 EDADLP O=C(N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccccc1C[NH+]1CCOCC1 ZINC000361093487 152299824 /nfs/dbraw/zinc/29/98/24/152299824.db2.gz AGROEYDWLYBUGS-RTBURBONSA-N 2 2 343.471 1.637 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000361138536 152318470 /nfs/dbraw/zinc/31/84/70/152318470.db2.gz ANDYHOJIOMWWQP-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000361138536 152318471 /nfs/dbraw/zinc/31/84/71/152318471.db2.gz ANDYHOJIOMWWQP-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3nccn3C)CC2)C1 ZINC000361138536 152318472 /nfs/dbraw/zinc/31/84/72/152318472.db2.gz ANDYHOJIOMWWQP-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3nccn3C)CC2)C1 ZINC000361138536 152318473 /nfs/dbraw/zinc/31/84/73/152318473.db2.gz ANDYHOJIOMWWQP-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3nccn3C)CC2)C1 ZINC000361138536 152318476 /nfs/dbraw/zinc/31/84/76/152318476.db2.gz ANDYHOJIOMWWQP-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3nccn3C)CC2)C1 ZINC000361138536 152318477 /nfs/dbraw/zinc/31/84/77/152318477.db2.gz ANDYHOJIOMWWQP-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP C[N@@H+]1CCc2ncnc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2C1 ZINC000361216167 152338399 /nfs/dbraw/zinc/33/83/99/152338399.db2.gz RQKWXOHKHGSAFL-CQSZACIVSA-N 2 2 331.464 1.377 20 0 EDADLP C[N@H+]1CCc2ncnc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2C1 ZINC000361216167 152338402 /nfs/dbraw/zinc/33/84/02/152338402.db2.gz RQKWXOHKHGSAFL-CQSZACIVSA-N 2 2 331.464 1.377 20 0 EDADLP C[N@H+](C[C@H](O)COC1CCOCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000361326245 152362021 /nfs/dbraw/zinc/36/20/21/152362021.db2.gz UUDYFIXPXUSTTR-KRWDZBQOSA-N 2 2 349.475 1.539 20 0 EDADLP C[N@@H+](C[C@H](O)COC1CCOCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000361326245 152362023 /nfs/dbraw/zinc/36/20/23/152362023.db2.gz UUDYFIXPXUSTTR-KRWDZBQOSA-N 2 2 349.475 1.539 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000361430123 152393286 /nfs/dbraw/zinc/39/32/86/152393286.db2.gz MTUDTMQUIOGNMX-SFHVURJKSA-N 2 2 331.460 1.685 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000361430123 152393288 /nfs/dbraw/zinc/39/32/88/152393288.db2.gz MTUDTMQUIOGNMX-SFHVURJKSA-N 2 2 331.460 1.685 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000363690966 153030169 /nfs/dbraw/zinc/03/01/69/153030169.db2.gz XXOGWPUNPYOPAH-OAHLLOKOSA-N 2 2 338.452 1.807 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000363690966 153030173 /nfs/dbraw/zinc/03/01/73/153030173.db2.gz XXOGWPUNPYOPAH-OAHLLOKOSA-N 2 2 338.452 1.807 20 0 EDADLP CCc1nnc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000363830617 153069166 /nfs/dbraw/zinc/06/91/66/153069166.db2.gz VNIJQLDEJXHFQR-UHFFFAOYSA-N 3 2 348.539 1.995 20 0 EDADLP CCc1nnc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000363830617 153069168 /nfs/dbraw/zinc/06/91/68/153069168.db2.gz VNIJQLDEJXHFQR-UHFFFAOYSA-N 3 2 348.539 1.995 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)[NH+]2CCOCC2)cc1 ZINC000364219257 153177688 /nfs/dbraw/zinc/17/76/88/153177688.db2.gz ZQKAXAGCZWEGDQ-WSTZPKSXSA-N 2 2 343.471 1.484 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)NCc3[nH+]ccn3C)CC2)[nH+]c1 ZINC000364276112 153193925 /nfs/dbraw/zinc/19/39/25/153193925.db2.gz UHAMZHACFHKIQA-UHFFFAOYSA-N 2 2 328.420 1.592 20 0 EDADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000364563463 153272228 /nfs/dbraw/zinc/27/22/28/153272228.db2.gz STKNHPSZDFTJRB-FUHWJXTLSA-N 2 2 333.863 1.984 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)C2 ZINC000364570980 153274798 /nfs/dbraw/zinc/27/47/98/153274798.db2.gz STKSTSZOHURWDB-ZIAGYGMSSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)C2 ZINC000364570980 153274801 /nfs/dbraw/zinc/27/48/01/153274801.db2.gz STKSTSZOHURWDB-ZIAGYGMSSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)CC2 ZINC000364570980 153274802 /nfs/dbraw/zinc/27/48/02/153274802.db2.gz STKSTSZOHURWDB-ZIAGYGMSSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)CC2 ZINC000364570980 153274805 /nfs/dbraw/zinc/27/48/05/153274805.db2.gz STKSTSZOHURWDB-ZIAGYGMSSA-N 2 2 334.464 1.163 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000364637462 153291650 /nfs/dbraw/zinc/29/16/50/153291650.db2.gz ZGURTGBCKINIHF-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000364637462 153291653 /nfs/dbraw/zinc/29/16/53/153291653.db2.gz ZGURTGBCKINIHF-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000364637462 153291657 /nfs/dbraw/zinc/29/16/57/153291657.db2.gz ZGURTGBCKINIHF-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000364637462 153291658 /nfs/dbraw/zinc/29/16/58/153291658.db2.gz ZGURTGBCKINIHF-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364701040 153308415 /nfs/dbraw/zinc/30/84/15/153308415.db2.gz WQNMXYRVFWRIKS-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364701040 153308416 /nfs/dbraw/zinc/30/84/16/153308416.db2.gz WQNMXYRVFWRIKS-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[NH+]1CCSCC1 ZINC000364932574 153374730 /nfs/dbraw/zinc/37/47/30/153374730.db2.gz HIZGZSZMUCCDIC-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP C[NH+]1CCC2(CCCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)CC1 ZINC000367183749 154031936 /nfs/dbraw/zinc/03/19/36/154031936.db2.gz DAOHWKVJVMYIHD-MRXNPFEDSA-N 2 2 345.491 1.750 20 0 EDADLP C[NH+]1CCC2(CCCN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)C2)CC1 ZINC000367183749 154031939 /nfs/dbraw/zinc/03/19/39/154031939.db2.gz DAOHWKVJVMYIHD-MRXNPFEDSA-N 2 2 345.491 1.750 20 0 EDADLP C[C@@H]1CC(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000367185623 154033673 /nfs/dbraw/zinc/03/36/73/154033673.db2.gz JMWWMPHSCNPOOO-IAGOWNOFSA-N 2 2 339.524 1.576 20 0 EDADLP C[C@@H]1CC(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000367185623 154033675 /nfs/dbraw/zinc/03/36/75/154033675.db2.gz JMWWMPHSCNPOOO-IAGOWNOFSA-N 2 2 339.524 1.576 20 0 EDADLP C[C@H]1CC(=O)NCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367446046 154125072 /nfs/dbraw/zinc/12/50/72/154125072.db2.gz BBIBEQDMVHVRAX-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1CC(=O)NCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367446046 154125074 /nfs/dbraw/zinc/12/50/74/154125074.db2.gz BBIBEQDMVHVRAX-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1CC(=O)NCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000367446046 154125078 /nfs/dbraw/zinc/12/50/78/154125078.db2.gz BBIBEQDMVHVRAX-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1CC(=O)NCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000367446046 154125079 /nfs/dbraw/zinc/12/50/79/154125079.db2.gz BBIBEQDMVHVRAX-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP COC(=O)c1coc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367622520 154202188 /nfs/dbraw/zinc/20/21/88/154202188.db2.gz IMAPACKJQLTZJB-MRXNPFEDSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1coc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367622520 154202191 /nfs/dbraw/zinc/20/21/91/154202191.db2.gz IMAPACKJQLTZJB-MRXNPFEDSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1coc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000367622520 154202193 /nfs/dbraw/zinc/20/21/93/154202193.db2.gz IMAPACKJQLTZJB-MRXNPFEDSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1coc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000367622520 154202195 /nfs/dbraw/zinc/20/21/95/154202195.db2.gz IMAPACKJQLTZJB-MRXNPFEDSA-N 2 2 335.448 1.667 20 0 EDADLP CCCn1c(C)nnc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367669131 154221744 /nfs/dbraw/zinc/22/17/44/154221744.db2.gz AEQDONOCWQVYHZ-KRWDZBQOSA-N 2 2 334.512 1.597 20 0 EDADLP CCCn1c(C)nnc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367669131 154221746 /nfs/dbraw/zinc/22/17/46/154221746.db2.gz AEQDONOCWQVYHZ-KRWDZBQOSA-N 2 2 334.512 1.597 20 0 EDADLP Oc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CCC2 ZINC000367855852 154300084 /nfs/dbraw/zinc/30/00/84/154300084.db2.gz ABZVEUULVZMNJF-PXNSSMCTSA-N 2 2 345.487 1.766 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000367898786 154317982 /nfs/dbraw/zinc/31/79/82/154317982.db2.gz AVMRWZJLVWYSAB-KBPBESRZSA-N 2 2 336.480 1.101 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000368041303 154380120 /nfs/dbraw/zinc/38/01/20/154380120.db2.gz BFAHONOGWMWMSO-IAGOWNOFSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000368041303 154380125 /nfs/dbraw/zinc/38/01/25/154380125.db2.gz BFAHONOGWMWMSO-IAGOWNOFSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368041303 154380130 /nfs/dbraw/zinc/38/01/30/154380130.db2.gz BFAHONOGWMWMSO-IAGOWNOFSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368041303 154380135 /nfs/dbraw/zinc/38/01/35/154380135.db2.gz BFAHONOGWMWMSO-IAGOWNOFSA-N 2 2 338.496 1.269 20 0 EDADLP COCCN(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372643 155000140 /nfs/dbraw/zinc/00/01/40/155000140.db2.gz KPFBGYMMLIMTSZ-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP COCCN(CC(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372643 155000146 /nfs/dbraw/zinc/00/01/46/155000146.db2.gz KPFBGYMMLIMTSZ-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1occc1CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373430 155001196 /nfs/dbraw/zinc/00/11/96/155001196.db2.gz PCVGLHSNNPYSED-INIZCTEOSA-N 2 2 334.464 1.898 20 0 EDADLP Cc1occc1CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373430 155001198 /nfs/dbraw/zinc/00/11/98/155001198.db2.gz PCVGLHSNNPYSED-INIZCTEOSA-N 2 2 334.464 1.898 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000372329613 156336262 /nfs/dbraw/zinc/33/62/62/156336262.db2.gz IBRGTBULMMDJJF-HYVNUMGLSA-N 2 2 329.448 1.708 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000372329613 156336264 /nfs/dbraw/zinc/33/62/64/156336264.db2.gz IBRGTBULMMDJJF-HYVNUMGLSA-N 2 2 329.448 1.708 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1)[NH+](C)C ZINC000372407483 156375614 /nfs/dbraw/zinc/37/56/14/156375614.db2.gz WGTOLZNATXEVND-QGZVFWFLSA-N 2 2 335.496 1.839 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1)[NH+](C)C ZINC000372407483 156375618 /nfs/dbraw/zinc/37/56/18/156375618.db2.gz WGTOLZNATXEVND-QGZVFWFLSA-N 2 2 335.496 1.839 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCCCC3CCOCC3)CCO2)CC1 ZINC000374164657 157173015 /nfs/dbraw/zinc/17/30/15/157173015.db2.gz SIDFAGWTYQQAGI-IBGZPJMESA-N 2 2 339.524 1.532 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCCCC3CCOCC3)CCO2)CC1 ZINC000374164657 157173020 /nfs/dbraw/zinc/17/30/20/157173020.db2.gz SIDFAGWTYQQAGI-IBGZPJMESA-N 2 2 339.524 1.532 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCc1ccc2c(c1)OCO2 ZINC000374208431 157195467 /nfs/dbraw/zinc/19/54/67/157195467.db2.gz LTMPVISNCIHNOP-UHFFFAOYSA-N 2 2 342.399 1.634 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCc1ccccc1F ZINC000374424349 157286354 /nfs/dbraw/zinc/28/63/54/157286354.db2.gz ZLYIAASQHCOMAP-NXHRZFHOSA-N 2 2 349.450 1.625 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCc1ccccc1F ZINC000374424349 157286356 /nfs/dbraw/zinc/28/63/56/157286356.db2.gz ZLYIAASQHCOMAP-NXHRZFHOSA-N 2 2 349.450 1.625 20 0 EDADLP COCc1noc([C@H](C)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000374602217 157342009 /nfs/dbraw/zinc/34/20/09/157342009.db2.gz HKVFDBCTPJBAAM-ZFWWWQNUSA-N 2 2 337.468 1.377 20 0 EDADLP COCc1noc([C@H](C)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000374602217 157342013 /nfs/dbraw/zinc/34/20/13/157342013.db2.gz HKVFDBCTPJBAAM-ZFWWWQNUSA-N 2 2 337.468 1.377 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C2 ZINC000377903312 158025024 /nfs/dbraw/zinc/02/50/24/158025024.db2.gz GOOLBBDMDFPASY-AEFFLSMTSA-N 2 2 347.507 1.142 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C2 ZINC000377903312 158025029 /nfs/dbraw/zinc/02/50/29/158025029.db2.gz GOOLBBDMDFPASY-AEFFLSMTSA-N 2 2 347.507 1.142 20 0 EDADLP Cc1cc(N2CCC(NC(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)nc[nH+]1 ZINC000378201396 158107713 /nfs/dbraw/zinc/10/77/13/158107713.db2.gz JBPXPRTWAQOLQY-AWEZNQCLSA-N 2 2 345.491 1.896 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000378207914 158110343 /nfs/dbraw/zinc/11/03/43/158110343.db2.gz TZKUPMDRHZESNV-LPHOPBHVSA-N 2 2 349.450 1.438 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1 ZINC000378367581 158153924 /nfs/dbraw/zinc/15/39/24/158153924.db2.gz FFOAKKFGOCBQQY-HNNXBMFYSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1 ZINC000378367581 158153925 /nfs/dbraw/zinc/15/39/25/158153925.db2.gz FFOAKKFGOCBQQY-HNNXBMFYSA-N 2 2 331.460 1.941 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000378502351 158192561 /nfs/dbraw/zinc/19/25/61/158192561.db2.gz YJDNRMBLHNERHA-JKSUJKDBSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000378502351 158192563 /nfs/dbraw/zinc/19/25/63/158192563.db2.gz YJDNRMBLHNERHA-JKSUJKDBSA-N 2 2 340.431 1.503 20 0 EDADLP CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000378537027 158203739 /nfs/dbraw/zinc/20/37/39/158203739.db2.gz ITOAEWNCSPFGPS-ZDUSSCGKSA-N 2 2 331.424 1.627 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)cn2)n1 ZINC000576099510 306678010 /nfs/dbraw/zinc/67/80/10/306678010.db2.gz XOEGTQVIUNPZGV-CXAGYDPISA-N 2 2 329.448 1.741 20 0 EDADLP C[C@@H](C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)[NH+]1CCCCCC1 ZINC000377879904 286750309 /nfs/dbraw/zinc/75/03/09/286750309.db2.gz OMMUFZMYVQNART-KRWDZBQOSA-N 2 2 347.507 1.719 20 0 EDADLP C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000262308277 286796629 /nfs/dbraw/zinc/79/66/29/286796629.db2.gz YOAVQZZVTYQHGM-RDJZCZTQSA-N 2 2 346.475 1.560 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352208280 162050923 /nfs/dbraw/zinc/05/09/23/162050923.db2.gz LQEZGPOTMFOMDA-UHFFFAOYSA-N 2 2 337.468 1.657 20 0 EDADLP COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000352227010 162061618 /nfs/dbraw/zinc/06/16/18/162061618.db2.gz JIQXNVYREWFWAD-HOTGVXAUSA-N 2 2 332.448 1.087 20 0 EDADLP COC[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000352227010 162061619 /nfs/dbraw/zinc/06/16/19/162061619.db2.gz JIQXNVYREWFWAD-HOTGVXAUSA-N 2 2 332.448 1.087 20 0 EDADLP CNC(=O)[C@@H](CCSC)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000352488158 162208691 /nfs/dbraw/zinc/20/86/91/162208691.db2.gz MXTNFPIRJAESTL-MRXNPFEDSA-N 2 2 336.505 1.503 20 0 EDADLP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352503733 162217017 /nfs/dbraw/zinc/21/70/17/162217017.db2.gz JOQZMOHAMFOMOC-QFBILLFUSA-N 2 2 344.503 1.406 20 0 EDADLP c1nc(-c2ccccn2)sc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352541308 162240065 /nfs/dbraw/zinc/24/00/65/162240065.db2.gz WHAYNUCAHLJTOT-CQSZACIVSA-N 2 2 329.473 1.685 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000365278973 162359313 /nfs/dbraw/zinc/35/93/13/162359313.db2.gz XNNCTIIKSOSWOM-INIZCTEOSA-N 2 2 334.445 1.434 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000365278973 162359316 /nfs/dbraw/zinc/35/93/16/162359316.db2.gz XNNCTIIKSOSWOM-INIZCTEOSA-N 2 2 334.445 1.434 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCC(C)(C)CO ZINC000122736125 287382773 /nfs/dbraw/zinc/38/27/73/287382773.db2.gz AFKDOFLBFDFUIZ-UHFFFAOYSA-N 2 2 342.528 1.453 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCC(C)(C)CO ZINC000122736125 287382776 /nfs/dbraw/zinc/38/27/76/287382776.db2.gz AFKDOFLBFDFUIZ-UHFFFAOYSA-N 2 2 342.528 1.453 20 0 EDADLP C[C@]1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC[NH2+]C1 ZINC000164186746 226052849 /nfs/dbraw/zinc/05/28/49/226052849.db2.gz HRXUMIOLMTZEHQ-IBGZPJMESA-N 2 2 344.459 1.205 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCCC1 ZINC000122464464 222093811 /nfs/dbraw/zinc/09/38/11/222093811.db2.gz XLYHJWWHPPOCGV-HOTGVXAUSA-N 2 2 331.464 1.691 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123202745 222234015 /nfs/dbraw/zinc/23/40/15/222234015.db2.gz PZDBMDNQLAZCQF-WMLDXEAASA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[N@H+]1C ZINC000123202745 222234018 /nfs/dbraw/zinc/23/40/18/222234018.db2.gz PZDBMDNQLAZCQF-WMLDXEAASA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123202745 222234021 /nfs/dbraw/zinc/23/40/21/222234021.db2.gz PZDBMDNQLAZCQF-WMLDXEAASA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[NH+]1C ZINC000123202745 222234024 /nfs/dbraw/zinc/23/40/24/222234024.db2.gz PZDBMDNQLAZCQF-WMLDXEAASA-N 2 2 346.475 1.741 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000130345307 287490966 /nfs/dbraw/zinc/49/09/66/287490966.db2.gz BJIYYYZLKDBPAX-RHSMWYFYSA-N 2 2 342.443 1.873 20 0 EDADLP CC1(C)C[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C(C)(C)O1 ZINC000189227275 272962107 /nfs/dbraw/zinc/96/21/07/272962107.db2.gz LFKGQKCELOBLMP-INIZCTEOSA-N 2 2 349.475 1.860 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@]1(C)CC[NH2+]C1)CC2 ZINC000237409720 273009938 /nfs/dbraw/zinc/00/99/38/273009938.db2.gz CIPSVJPYNFAGBP-IBGZPJMESA-N 2 2 347.459 1.178 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@]1(C)CC[NH2+]C1)CC2 ZINC000237409720 273009939 /nfs/dbraw/zinc/00/99/39/273009939.db2.gz CIPSVJPYNFAGBP-IBGZPJMESA-N 2 2 347.459 1.178 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000273033518 273025022 /nfs/dbraw/zinc/02/50/22/273025022.db2.gz DVZJEEOHYJLQDZ-MRXNPFEDSA-N 2 2 342.443 1.516 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000275395198 268336390 /nfs/dbraw/zinc/33/63/90/268336390.db2.gz DHQQSHQGKMQNGW-IAGOWNOFSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000275395198 268336391 /nfs/dbraw/zinc/33/63/91/268336391.db2.gz DHQQSHQGKMQNGW-IAGOWNOFSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000275395198 268336392 /nfs/dbraw/zinc/33/63/92/268336392.db2.gz DHQQSHQGKMQNGW-IAGOWNOFSA-N 2 2 347.503 1.811 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CCO)C3CCOCC3)c2cc1C ZINC000275533519 268356230 /nfs/dbraw/zinc/35/62/30/268356230.db2.gz KQHPLROKTCVVSN-QGZVFWFLSA-N 2 2 347.459 1.487 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](CCO)C3CCOCC3)c2cc1C ZINC000275533519 268356231 /nfs/dbraw/zinc/35/62/31/268356231.db2.gz KQHPLROKTCVVSN-QGZVFWFLSA-N 2 2 347.459 1.487 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)c3c[nH+]ccc3N)c2)CC1 ZINC000275711200 268371097 /nfs/dbraw/zinc/37/10/97/268371097.db2.gz UNROXASLJRJZOB-UHFFFAOYSA-N 2 2 325.416 1.664 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)c3c[nH+]ccc3N)c2)CC1 ZINC000275711200 268371099 /nfs/dbraw/zinc/37/10/99/268371099.db2.gz UNROXASLJRJZOB-UHFFFAOYSA-N 2 2 325.416 1.664 20 0 EDADLP CC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000275896681 268382989 /nfs/dbraw/zinc/38/29/89/268382989.db2.gz TXNDSIZQYFOKBD-HXUWFJFHSA-N 2 2 345.487 1.568 20 0 EDADLP CC[C@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000275896681 268382990 /nfs/dbraw/zinc/38/29/90/268382990.db2.gz TXNDSIZQYFOKBD-HXUWFJFHSA-N 2 2 345.487 1.568 20 0 EDADLP O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000057593685 272914979 /nfs/dbraw/zinc/91/49/79/272914979.db2.gz BEURQJRAHWSLTM-SFHVURJKSA-N 2 2 340.427 1.696 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)C(C)(C)[NH+]2CCOCC2)ccc1F ZINC000278956522 273276081 /nfs/dbraw/zinc/27/60/81/273276081.db2.gz WETANUQSIKABDU-UHFFFAOYSA-N 2 2 337.439 1.614 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279435328 273297180 /nfs/dbraw/zinc/29/71/80/273297180.db2.gz MUBBHZDEIXIUBX-HNNXBMFYSA-N 2 2 342.447 1.064 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)N1CC[NH+](C)CC1 ZINC000280323392 273356915 /nfs/dbraw/zinc/35/69/15/273356915.db2.gz UZFSJXFERBAWIF-CYBMUJFWSA-N 2 2 338.883 1.976 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cc(C)n(C)n2)nc[nH+]1 ZINC000282269412 273619284 /nfs/dbraw/zinc/61/92/84/273619284.db2.gz RFFZZGYRMNVXAV-UONOGXRCSA-N 2 2 329.452 1.880 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000284667525 274286208 /nfs/dbraw/zinc/28/62/08/274286208.db2.gz XBOWBUVOEWWUGF-NXHRZFHOSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000284667525 274286210 /nfs/dbraw/zinc/28/62/10/274286210.db2.gz XBOWBUVOEWWUGF-NXHRZFHOSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000284667525 274286211 /nfs/dbraw/zinc/28/62/11/274286211.db2.gz XBOWBUVOEWWUGF-NXHRZFHOSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000284667525 274286213 /nfs/dbraw/zinc/28/62/13/274286213.db2.gz XBOWBUVOEWWUGF-NXHRZFHOSA-N 2 2 331.460 1.438 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000285512654 274566362 /nfs/dbraw/zinc/56/63/62/274566362.db2.gz OHCQOSLOTMZUSI-UHFFFAOYSA-N 2 2 336.476 1.738 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C[C@H]1CC ZINC000342765394 276319460 /nfs/dbraw/zinc/31/94/60/276319460.db2.gz NTZGOFVXWNEYDO-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C[C@H]1CC ZINC000342765394 276319462 /nfs/dbraw/zinc/31/94/62/276319462.db2.gz NTZGOFVXWNEYDO-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377637686 276364375 /nfs/dbraw/zinc/36/43/75/276364375.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 3 2 336.524 1.488 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377637686 276364376 /nfs/dbraw/zinc/36/43/76/276364376.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 3 2 336.524 1.488 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377637686 276364378 /nfs/dbraw/zinc/36/43/78/276364378.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 3 2 336.524 1.488 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377637686 276364379 /nfs/dbraw/zinc/36/43/79/276364379.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 3 2 336.524 1.488 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180434009 277089253 /nfs/dbraw/zinc/08/92/53/277089253.db2.gz ZIFBZWRRXYAIFD-HXUWFJFHSA-N 2 2 338.455 1.925 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172543082 278193871 /nfs/dbraw/zinc/19/38/71/278193871.db2.gz QMCUMRYOHGHGJZ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172543082 278193872 /nfs/dbraw/zinc/19/38/72/278193872.db2.gz QMCUMRYOHGHGJZ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000372478752 278237149 /nfs/dbraw/zinc/23/71/49/278237149.db2.gz WGDGUNYHVCPHQQ-YOEHRIQHSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000372478752 278237152 /nfs/dbraw/zinc/23/71/52/278237152.db2.gz WGDGUNYHVCPHQQ-YOEHRIQHSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)NC(=O)NCC(F)(F)F ZINC000359952104 278262149 /nfs/dbraw/zinc/26/21/49/278262149.db2.gz INSKXRINCHADFV-UWVGGRQHSA-N 2 2 347.341 1.127 20 0 EDADLP NC(=O)C[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286580190 288038786 /nfs/dbraw/zinc/03/87/86/288038786.db2.gz WOBPNNRMWGDMRK-GOSISDBHSA-N 2 2 344.503 1.786 20 0 EDADLP NC(=O)C[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286580190 288038788 /nfs/dbraw/zinc/03/87/88/288038788.db2.gz WOBPNNRMWGDMRK-GOSISDBHSA-N 2 2 344.503 1.786 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000341588579 288086885 /nfs/dbraw/zinc/08/68/85/288086885.db2.gz BMANHBIZNQLAKT-NJAFHUGGSA-N 2 2 331.460 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000341588579 288086886 /nfs/dbraw/zinc/08/68/86/288086886.db2.gz BMANHBIZNQLAKT-NJAFHUGGSA-N 2 2 331.460 1.374 20 0 EDADLP CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000496375426 279033650 /nfs/dbraw/zinc/03/36/50/279033650.db2.gz OKKTZPOMVKBZMG-JKSUJKDBSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000496375426 279033651 /nfs/dbraw/zinc/03/36/51/279033651.db2.gz OKKTZPOMVKBZMG-JKSUJKDBSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000496375426 279033654 /nfs/dbraw/zinc/03/36/54/279033654.db2.gz OKKTZPOMVKBZMG-JKSUJKDBSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000496375426 279033656 /nfs/dbraw/zinc/03/36/56/279033656.db2.gz OKKTZPOMVKBZMG-JKSUJKDBSA-N 2 2 329.485 1.632 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371217640 279056572 /nfs/dbraw/zinc/05/65/72/279056572.db2.gz CVUVZOATPUSQEP-BBRMVZONSA-N 2 2 347.507 1.805 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371217640 279056575 /nfs/dbraw/zinc/05/65/75/279056575.db2.gz CVUVZOATPUSQEP-BBRMVZONSA-N 2 2 347.507 1.805 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000174215489 279135893 /nfs/dbraw/zinc/13/58/93/279135893.db2.gz CZZJGSOEJJCUBS-NVXWUHKLSA-N 2 2 333.480 1.579 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000174215489 279135896 /nfs/dbraw/zinc/13/58/96/279135896.db2.gz CZZJGSOEJJCUBS-NVXWUHKLSA-N 2 2 333.480 1.579 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)cc1)C1CC1 ZINC000152642197 279235334 /nfs/dbraw/zinc/23/53/34/279235334.db2.gz KBDGPZPFYQTAPO-RBUKOAKNSA-N 2 2 343.471 1.826 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)cc1)C1CC1 ZINC000152642197 279235335 /nfs/dbraw/zinc/23/53/35/279235335.db2.gz KBDGPZPFYQTAPO-RBUKOAKNSA-N 2 2 343.471 1.826 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1)C1CC1 ZINC000152642197 279235338 /nfs/dbraw/zinc/23/53/38/279235338.db2.gz KBDGPZPFYQTAPO-RBUKOAKNSA-N 2 2 343.471 1.826 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1)C1CC1 ZINC000152642197 279235340 /nfs/dbraw/zinc/23/53/40/279235340.db2.gz KBDGPZPFYQTAPO-RBUKOAKNSA-N 2 2 343.471 1.826 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000358144169 279341759 /nfs/dbraw/zinc/34/17/59/279341759.db2.gz UGQATKSEQMYCLE-CABCVRRESA-N 2 2 336.484 1.527 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000358144169 279341762 /nfs/dbraw/zinc/34/17/62/279341762.db2.gz UGQATKSEQMYCLE-CABCVRRESA-N 2 2 336.484 1.527 20 0 EDADLP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000111858430 279605679 /nfs/dbraw/zinc/60/56/79/279605679.db2.gz IRMDILXMSLPVRA-HUUCEWRRSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000422913361 288161355 /nfs/dbraw/zinc/16/13/55/288161355.db2.gz PUKCLVDUFFBQIS-CYGHRXIMSA-N 3 2 325.497 1.232 20 0 EDADLP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000422913361 288161358 /nfs/dbraw/zinc/16/13/58/288161358.db2.gz PUKCLVDUFFBQIS-CYGHRXIMSA-N 3 2 325.497 1.232 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)[NH+](C)C ZINC000106904371 280174948 /nfs/dbraw/zinc/17/49/48/280174948.db2.gz FNYBIPRMTJISLP-QZTJIDSGSA-N 2 2 333.476 1.762 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000287668814 288290140 /nfs/dbraw/zinc/29/01/40/288290140.db2.gz CTPZSARXZPJSNR-OCCSQVGLSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000287668814 288290141 /nfs/dbraw/zinc/29/01/41/288290141.db2.gz CTPZSARXZPJSNR-OCCSQVGLSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000287698852 288299096 /nfs/dbraw/zinc/29/90/96/288299096.db2.gz KEVDOGNINMBANP-IUIKQTSFSA-N 2 2 340.418 1.959 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000287698852 288299098 /nfs/dbraw/zinc/29/90/98/288299098.db2.gz KEVDOGNINMBANP-IUIKQTSFSA-N 2 2 340.418 1.959 20 0 EDADLP COc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000287758242 288316184 /nfs/dbraw/zinc/31/61/84/288316184.db2.gz QMJCDFORJZIUFX-UHFFFAOYSA-N 2 2 335.452 1.580 20 0 EDADLP COc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000287758242 288316187 /nfs/dbraw/zinc/31/61/87/288316187.db2.gz QMJCDFORJZIUFX-UHFFFAOYSA-N 2 2 335.452 1.580 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000332028379 281652462 /nfs/dbraw/zinc/65/24/62/281652462.db2.gz HQRNNHHZAYMCHB-QLFBSQMISA-N 2 2 347.463 1.165 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000287977683 288372118 /nfs/dbraw/zinc/37/21/18/288372118.db2.gz VKIBDZRLYCZGDY-AWEZNQCLSA-N 2 2 341.415 1.363 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000287977683 288372119 /nfs/dbraw/zinc/37/21/19/288372119.db2.gz VKIBDZRLYCZGDY-AWEZNQCLSA-N 2 2 341.415 1.363 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000371044203 282033783 /nfs/dbraw/zinc/03/37/83/282033783.db2.gz OFUDQINOBCOIDR-AWEZNQCLSA-N 2 2 335.452 1.030 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000289848576 288790580 /nfs/dbraw/zinc/79/05/80/288790580.db2.gz FQEZZWMAZGTMCO-GBESFXJTSA-N 2 2 345.487 1.873 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000290018210 288822730 /nfs/dbraw/zinc/82/27/30/288822730.db2.gz MLVNTOXUJSPYRJ-UHFFFAOYSA-N 2 2 337.427 1.902 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)C(C)(C)C ZINC000341568406 289182634 /nfs/dbraw/zinc/18/26/34/289182634.db2.gz NCORZVQMFCALMC-PMPSAXMXSA-N 2 2 340.512 1.467 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)C(C)(C)C ZINC000341568406 289182642 /nfs/dbraw/zinc/18/26/42/289182642.db2.gz NCORZVQMFCALMC-PMPSAXMXSA-N 2 2 340.512 1.467 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CC[C@H]2CCCC[N@@H+]2C)no1 ZINC000352049089 289226742 /nfs/dbraw/zinc/22/67/42/289226742.db2.gz PBRGFZGQICBOBZ-CYBMUJFWSA-N 2 2 337.468 1.747 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CC[C@H]2CCCC[N@H+]2C)no1 ZINC000352049089 289226743 /nfs/dbraw/zinc/22/67/43/289226743.db2.gz PBRGFZGQICBOBZ-CYBMUJFWSA-N 2 2 337.468 1.747 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000330863742 289239232 /nfs/dbraw/zinc/23/92/32/289239232.db2.gz TYQHALTYRIFKII-HZPDHXFCSA-N 2 2 325.478 1.303 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000330863742 289239235 /nfs/dbraw/zinc/23/92/35/289239235.db2.gz TYQHALTYRIFKII-HZPDHXFCSA-N 2 2 325.478 1.303 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000362175359 289255858 /nfs/dbraw/zinc/25/58/58/289255858.db2.gz CGMQAFRYVISUKR-YJBOKZPZSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000362175359 289255859 /nfs/dbraw/zinc/25/58/59/289255859.db2.gz CGMQAFRYVISUKR-YJBOKZPZSA-N 2 2 337.508 1.676 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000292175482 289281793 /nfs/dbraw/zinc/28/17/93/289281793.db2.gz PYYRTBKWURQDNC-APWZRJJASA-N 2 2 329.444 1.828 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000292175482 289281795 /nfs/dbraw/zinc/28/17/95/289281795.db2.gz PYYRTBKWURQDNC-APWZRJJASA-N 2 2 329.444 1.828 20 0 EDADLP COc1ccccc1N1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000292175482 289281799 /nfs/dbraw/zinc/28/17/99/289281799.db2.gz PYYRTBKWURQDNC-APWZRJJASA-N 2 2 329.444 1.828 20 0 EDADLP COc1ccccc1N1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000292175482 289281802 /nfs/dbraw/zinc/28/18/02/289281802.db2.gz PYYRTBKWURQDNC-APWZRJJASA-N 2 2 329.444 1.828 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCn2c[nH+]cc2C1 ZINC000292214922 289291103 /nfs/dbraw/zinc/29/11/03/289291103.db2.gz CYNUPRAWWZWMHZ-UHFFFAOYSA-N 2 2 340.431 1.468 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCNC(=O)OC(C)(C)C ZINC000374421922 289333850 /nfs/dbraw/zinc/33/38/50/289333850.db2.gz PWASTMXGRFHMAU-ILXRZTDVSA-N 2 2 327.469 1.695 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCNC(=O)OC(C)(C)C ZINC000374421922 289333855 /nfs/dbraw/zinc/33/38/55/289333855.db2.gz PWASTMXGRFHMAU-ILXRZTDVSA-N 2 2 327.469 1.695 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])C(C)C)[NH+]2CCOCC2)s1 ZINC000292453348 289351687 /nfs/dbraw/zinc/35/16/87/289351687.db2.gz LCNFZDFIEKWFLF-UKRRQHHQSA-N 2 2 325.478 1.529 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495376714 290036342 /nfs/dbraw/zinc/03/63/42/290036342.db2.gz GYSLDLUDBUYIKW-CRAIPNDOSA-N 2 2 340.512 1.469 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495376714 290036345 /nfs/dbraw/zinc/03/63/45/290036345.db2.gz GYSLDLUDBUYIKW-CRAIPNDOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000265116646 290270255 /nfs/dbraw/zinc/27/02/55/290270255.db2.gz BRCZDDPSFKCTCV-OAHLLOKOSA-N 2 2 331.464 1.564 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000265116646 290270260 /nfs/dbraw/zinc/27/02/60/290270260.db2.gz BRCZDDPSFKCTCV-OAHLLOKOSA-N 2 2 331.464 1.564 20 0 EDADLP C[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1CC(C)(C)O ZINC000348197918 297035509 /nfs/dbraw/zinc/03/55/09/297035509.db2.gz HHZWXKGPBSWAGZ-CYBMUJFWSA-N 2 2 326.510 1.482 20 0 EDADLP C[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1CC(C)(C)O ZINC000348197918 297035511 /nfs/dbraw/zinc/03/55/11/297035511.db2.gz HHZWXKGPBSWAGZ-CYBMUJFWSA-N 2 2 326.510 1.482 20 0 EDADLP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc2ccccc2c1=O ZINC000420408201 294153056 /nfs/dbraw/zinc/15/30/56/294153056.db2.gz VVVGCKXWJQNIOA-WMLDXEAASA-N 2 2 326.444 1.898 20 0 EDADLP Cn1c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nc2ccccc2c1=O ZINC000420408201 294153059 /nfs/dbraw/zinc/15/30/59/294153059.db2.gz VVVGCKXWJQNIOA-WMLDXEAASA-N 2 2 326.444 1.898 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cn1C ZINC000377707378 447306492 /nfs/dbraw/zinc/30/64/92/447306492.db2.gz VHEVYXWHOSUYFB-KRWDZBQOSA-N 2 2 348.491 1.414 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cn1C ZINC000377707378 447306497 /nfs/dbraw/zinc/30/64/97/447306497.db2.gz VHEVYXWHOSUYFB-KRWDZBQOSA-N 2 2 348.491 1.414 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342267134 300423112 /nfs/dbraw/zinc/42/31/12/300423112.db2.gz OOCNKYPTIUXILZ-DLBZAZTESA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cccnc3)CC2)CC1 ZINC000422019410 447311853 /nfs/dbraw/zinc/31/18/53/447311853.db2.gz LUYIIGZKQBJUGV-UHFFFAOYSA-N 2 2 330.476 1.643 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3cccnc3)CC2)CC1 ZINC000422019410 447311857 /nfs/dbraw/zinc/31/18/57/447311857.db2.gz LUYIIGZKQBJUGV-UHFFFAOYSA-N 2 2 330.476 1.643 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)CC(C)C ZINC000414683479 447317856 /nfs/dbraw/zinc/31/78/56/447317856.db2.gz TZIXYBPPRJORHM-AWEZNQCLSA-N 2 2 335.452 1.475 20 0 EDADLP CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660481067 453336962 /nfs/dbraw/zinc/33/69/62/453336962.db2.gz YHPNQCYEHJJQJA-KRWDZBQOSA-N 2 2 346.537 1.778 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295440483 303220114 /nfs/dbraw/zinc/22/01/14/303220114.db2.gz LIUPVGVYPJFPSH-HNNXBMFYSA-N 2 2 344.459 1.562 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295440483 303220116 /nfs/dbraw/zinc/22/01/16/303220116.db2.gz LIUPVGVYPJFPSH-HNNXBMFYSA-N 2 2 344.459 1.562 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H](C)[NH2+]C3CC3)CC2)c1 ZINC000295687874 303252834 /nfs/dbraw/zinc/25/28/34/303252834.db2.gz LLNAKZMADIGQKD-HNNXBMFYSA-N 2 2 347.459 1.359 20 0 EDADLP CCOC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295994873 303288385 /nfs/dbraw/zinc/28/83/85/303288385.db2.gz PGTCYQVHRCVGHC-CVEARBPZSA-N 2 2 335.448 1.532 20 0 EDADLP CCOC[C@H](O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295994873 303288387 /nfs/dbraw/zinc/28/83/87/303288387.db2.gz PGTCYQVHRCVGHC-CVEARBPZSA-N 2 2 335.448 1.532 20 0 EDADLP Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cn2cc[nH+]c12 ZINC000297053047 303357067 /nfs/dbraw/zinc/35/70/67/303357067.db2.gz SJJZKGIEWCENPZ-AWEZNQCLSA-N 2 2 344.463 1.648 20 0 EDADLP Cc1cc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000297053047 303357070 /nfs/dbraw/zinc/35/70/70/303357070.db2.gz SJJZKGIEWCENPZ-AWEZNQCLSA-N 2 2 344.463 1.648 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@H](C)[N@H+]1CCO ZINC000456212174 447329307 /nfs/dbraw/zinc/32/93/07/447329307.db2.gz OXTRLVOSPKHFCX-IYBDPMFKSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000456212174 447329312 /nfs/dbraw/zinc/32/93/12/447329312.db2.gz OXTRLVOSPKHFCX-IYBDPMFKSA-N 2 2 342.443 1.459 20 0 EDADLP CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000297841691 303454600 /nfs/dbraw/zinc/45/46/00/303454600.db2.gz KOAKSSNIHZWASS-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+](C)Cc1ccccc1 ZINC000456215005 447332141 /nfs/dbraw/zinc/33/21/41/447332141.db2.gz LBCMAJQYWNHSMZ-NXHRZFHOSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@@H+](C)Cc1ccccc1 ZINC000456215005 447332151 /nfs/dbraw/zinc/33/21/51/447332151.db2.gz LBCMAJQYWNHSMZ-NXHRZFHOSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)Cc1ccccc1 ZINC000456215005 447332159 /nfs/dbraw/zinc/33/21/59/447332159.db2.gz LBCMAJQYWNHSMZ-NXHRZFHOSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)Cc1ccccc1 ZINC000456215005 447332166 /nfs/dbraw/zinc/33/21/66/447332166.db2.gz LBCMAJQYWNHSMZ-NXHRZFHOSA-N 2 2 331.460 1.486 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000425843973 447333071 /nfs/dbraw/zinc/33/30/71/447333071.db2.gz JJYBQTGHVAGZQR-BJWYYQGGSA-N 2 2 334.508 1.987 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000425843973 447333078 /nfs/dbraw/zinc/33/30/78/447333078.db2.gz JJYBQTGHVAGZQR-BJWYYQGGSA-N 2 2 334.508 1.987 20 0 EDADLP Nc1nc(-n2cccn2)cc(N2CCCN(c3cccc[nH+]3)CC2)[nH+]1 ZINC000302244068 303720206 /nfs/dbraw/zinc/72/02/06/303720206.db2.gz ZEYAMROTDUUOSW-UHFFFAOYSA-N 2 2 336.403 1.356 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000423377402 304894010 /nfs/dbraw/zinc/89/40/10/304894010.db2.gz YQWZFCFEFUHEAZ-WMLDXEAASA-N 2 2 341.521 1.089 20 0 EDADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423381829 304894131 /nfs/dbraw/zinc/89/41/31/304894131.db2.gz ZSZSKGXFAPADGV-KBPBESRZSA-N 2 2 325.478 1.859 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423934714 304919207 /nfs/dbraw/zinc/91/92/07/304919207.db2.gz ZPYBWYYPHFTMDV-GOEBONIOSA-N 2 2 344.459 1.802 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424453577 304930009 /nfs/dbraw/zinc/93/00/09/304930009.db2.gz LITIALMBNODBDL-ZDUSSCGKSA-N 2 2 348.438 1.031 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000428046163 305005543 /nfs/dbraw/zinc/00/55/43/305005543.db2.gz TZCIIUYSAGJTTL-LXZKKBNFSA-N 2 2 349.450 1.865 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000428046163 305005544 /nfs/dbraw/zinc/00/55/44/305005544.db2.gz TZCIIUYSAGJTTL-LXZKKBNFSA-N 2 2 349.450 1.865 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000428479305 305009787 /nfs/dbraw/zinc/00/97/87/305009787.db2.gz IPVMAEAUBPMZGQ-CVEARBPZSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000428479305 305009788 /nfs/dbraw/zinc/00/97/88/305009788.db2.gz IPVMAEAUBPMZGQ-CVEARBPZSA-N 2 2 346.475 1.212 20 0 EDADLP CCOC1(C)CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000428720478 305015651 /nfs/dbraw/zinc/01/56/51/305015651.db2.gz LXKHFJNCXHXNBI-UHFFFAOYSA-N 2 2 341.496 1.104 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000428996904 305021942 /nfs/dbraw/zinc/02/19/42/305021942.db2.gz RLGFJKGMHYODBV-VQIMIIECSA-N 2 2 329.444 1.134 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000428996904 305021943 /nfs/dbraw/zinc/02/19/43/305021943.db2.gz RLGFJKGMHYODBV-VQIMIIECSA-N 2 2 329.444 1.134 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000428996904 305021944 /nfs/dbraw/zinc/02/19/44/305021944.db2.gz RLGFJKGMHYODBV-VQIMIIECSA-N 2 2 329.444 1.134 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000428996904 305021945 /nfs/dbraw/zinc/02/19/45/305021945.db2.gz RLGFJKGMHYODBV-VQIMIIECSA-N 2 2 329.444 1.134 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000430264424 305049230 /nfs/dbraw/zinc/04/92/30/305049230.db2.gz XOOVSKRWJVQCPS-HNNXBMFYSA-N 2 2 349.479 1.340 20 0 EDADLP C[C@@H](CCCO)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000430372234 305051799 /nfs/dbraw/zinc/05/17/99/305051799.db2.gz AXPLKABDVRTTKO-YOEHRIQHSA-N 2 2 330.432 1.078 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430539000 305055865 /nfs/dbraw/zinc/05/58/65/305055865.db2.gz DAEVZCWUEDCIQP-DLBZAZTESA-N 3 2 345.491 1.180 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430539000 305055866 /nfs/dbraw/zinc/05/58/66/305055866.db2.gz DAEVZCWUEDCIQP-DLBZAZTESA-N 3 2 345.491 1.180 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1OC ZINC000430568896 305056078 /nfs/dbraw/zinc/05/60/78/305056078.db2.gz KXAVOMRPVCUTEK-SFHVURJKSA-N 2 2 335.448 1.379 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccccc1N1CCCC1=O)C1CC1 ZINC000430574186 305056851 /nfs/dbraw/zinc/05/68/51/305056851.db2.gz RYBOXMGMUMUYBU-GOSISDBHSA-N 2 2 330.432 1.469 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000430580651 305057092 /nfs/dbraw/zinc/05/70/92/305057092.db2.gz FGNODLPJYPNFFS-GJZGRUSLSA-N 2 2 335.448 1.248 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000430580651 305057093 /nfs/dbraw/zinc/05/70/93/305057093.db2.gz FGNODLPJYPNFFS-GJZGRUSLSA-N 2 2 335.448 1.248 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)cc1OC ZINC000430589239 305057363 /nfs/dbraw/zinc/05/73/63/305057363.db2.gz DBSLZYOECCIQEJ-ORAYPTAESA-N 2 2 349.475 1.988 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430650559 305061313 /nfs/dbraw/zinc/06/13/13/305061313.db2.gz KGCXARZLWDPWBQ-INIZCTEOSA-N 2 2 348.466 1.406 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430650559 305061314 /nfs/dbraw/zinc/06/13/14/305061314.db2.gz KGCXARZLWDPWBQ-INIZCTEOSA-N 2 2 348.466 1.406 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430650210 305061317 /nfs/dbraw/zinc/06/13/17/305061317.db2.gz UMVPFGGOVRJAQY-QZTJIDSGSA-N 2 2 344.503 1.655 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430650210 305061318 /nfs/dbraw/zinc/06/13/18/305061318.db2.gz UMVPFGGOVRJAQY-QZTJIDSGSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000430753081 305064261 /nfs/dbraw/zinc/06/42/61/305064261.db2.gz GNVQPUJVXJCWLB-LBTNJELSSA-N 2 2 332.448 1.311 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2cc(OC)ccc2OC)C1 ZINC000430928057 305068700 /nfs/dbraw/zinc/06/87/00/305068700.db2.gz SKQWKGBOTDOXOH-KGLIPLIRSA-N 2 2 335.448 1.422 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2cc(OC)ccc2OC)C1 ZINC000430928057 305068701 /nfs/dbraw/zinc/06/87/01/305068701.db2.gz SKQWKGBOTDOXOH-KGLIPLIRSA-N 2 2 335.448 1.422 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCOc2ccc(C(C)C)cc2)C1 ZINC000430938419 305069414 /nfs/dbraw/zinc/06/94/14/305069414.db2.gz HZQFFTDCOZBZAW-MRXNPFEDSA-N 2 2 333.476 1.846 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc(C(C)C)cc2)C1 ZINC000430938419 305069415 /nfs/dbraw/zinc/06/94/15/305069415.db2.gz HZQFFTDCOZBZAW-MRXNPFEDSA-N 2 2 333.476 1.846 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430942530 305069667 /nfs/dbraw/zinc/06/96/67/305069667.db2.gz CZXSUMOYGDMDPQ-HOCLYGCPSA-N 2 2 349.475 1.592 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430942530 305069668 /nfs/dbraw/zinc/06/96/68/305069668.db2.gz CZXSUMOYGDMDPQ-HOCLYGCPSA-N 2 2 349.475 1.592 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430941195 305069692 /nfs/dbraw/zinc/06/96/92/305069692.db2.gz UVRLOIZCODWVAO-JKIFEVAISA-N 2 2 344.459 1.810 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430941195 305069693 /nfs/dbraw/zinc/06/96/93/305069693.db2.gz UVRLOIZCODWVAO-JKIFEVAISA-N 2 2 344.459 1.810 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000430959009 305070815 /nfs/dbraw/zinc/07/08/15/305070815.db2.gz VIUCTDMRJVEVNS-SFHVURJKSA-N 3 2 344.503 1.181 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000430959009 305070816 /nfs/dbraw/zinc/07/08/16/305070816.db2.gz VIUCTDMRJVEVNS-SFHVURJKSA-N 3 2 344.503 1.181 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430964863 305071499 /nfs/dbraw/zinc/07/14/99/305071499.db2.gz JDHQFPKMLHDXJU-XUJVJEKNSA-N 2 2 348.447 1.650 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430964863 305071500 /nfs/dbraw/zinc/07/15/00/305071500.db2.gz JDHQFPKMLHDXJU-XUJVJEKNSA-N 2 2 348.447 1.650 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000431010701 305072708 /nfs/dbraw/zinc/07/27/08/305072708.db2.gz RALPDMIURGVLCR-QAPCUYQASA-N 2 2 341.459 1.400 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)CCC[NH2+]C)CCCC2)no1 ZINC000431056917 305073845 /nfs/dbraw/zinc/07/38/45/305073845.db2.gz GBLJKBHCVLRVGP-UHFFFAOYSA-N 2 2 337.468 1.797 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432117517 305087637 /nfs/dbraw/zinc/08/76/37/305087637.db2.gz UEOOGIAEWQFXCA-JKSUJKDBSA-N 2 2 348.491 1.940 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432117517 305087638 /nfs/dbraw/zinc/08/76/38/305087638.db2.gz UEOOGIAEWQFXCA-JKSUJKDBSA-N 2 2 348.491 1.940 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000432853700 305096233 /nfs/dbraw/zinc/09/62/33/305096233.db2.gz PMHLJLONCZDOOU-INIZCTEOSA-N 2 2 337.489 1.607 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000432853700 305096234 /nfs/dbraw/zinc/09/62/34/305096234.db2.gz PMHLJLONCZDOOU-INIZCTEOSA-N 2 2 337.489 1.607 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)NCc2ccc[nH+]c2N(C)C)CCCO1 ZINC000433285356 305105026 /nfs/dbraw/zinc/10/50/26/305105026.db2.gz SBOHAULXPPSTIG-HNNXBMFYSA-N 2 2 349.479 1.448 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)NCc2ccc[nH+]c2N(C)C)CCCO1 ZINC000433285356 305105027 /nfs/dbraw/zinc/10/50/27/305105027.db2.gz SBOHAULXPPSTIG-HNNXBMFYSA-N 2 2 349.479 1.448 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000433868962 305114172 /nfs/dbraw/zinc/11/41/72/305114172.db2.gz PHXBIHSWIUFNMT-HNNXBMFYSA-N 2 2 348.472 1.801 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000434657497 305126461 /nfs/dbraw/zinc/12/64/61/305126461.db2.gz SRUKZOUDMNGXFR-ZWKOTPCHSA-N 2 2 335.492 1.430 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000434657497 305126462 /nfs/dbraw/zinc/12/64/62/305126462.db2.gz SRUKZOUDMNGXFR-ZWKOTPCHSA-N 2 2 335.492 1.430 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCCCn2cc[nH+]c2)n1 ZINC000435346676 305138439 /nfs/dbraw/zinc/13/84/39/305138439.db2.gz UNVATJJCIJEPNH-RDJZCZTQSA-N 2 2 344.463 1.635 20 0 EDADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000435390358 305139779 /nfs/dbraw/zinc/13/97/79/305139779.db2.gz RQDAOPCYGQOFPP-CQSZACIVSA-N 2 2 328.416 1.830 20 0 EDADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435390358 305139780 /nfs/dbraw/zinc/13/97/80/305139780.db2.gz RQDAOPCYGQOFPP-CQSZACIVSA-N 2 2 328.416 1.830 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C[C@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559929 305142336 /nfs/dbraw/zinc/14/23/36/305142336.db2.gz RWEMXNCBRZJKQJ-HUUCEWRRSA-N 2 2 332.448 1.460 20 0 EDADLP CC[C@@H](OC)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435556135 305142361 /nfs/dbraw/zinc/14/23/61/305142361.db2.gz KNDLBBABFRQGOC-CABCVRRESA-N 2 2 334.464 1.799 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H]1CCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000435571522 305142711 /nfs/dbraw/zinc/14/27/11/305142711.db2.gz WEYSLLMIPMAYHC-HOTGVXAUSA-N 2 2 346.475 1.943 20 0 EDADLP Cn1cc[nH+]c1CN(CC(=O)N1CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698016 305145673 /nfs/dbraw/zinc/14/56/73/305145673.db2.gz UVKSNUZSCABUEB-INIZCTEOSA-N 2 2 345.491 1.377 20 0 EDADLP CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435757003 305147172 /nfs/dbraw/zinc/14/71/72/305147172.db2.gz WWRBBWRXKRJARZ-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@H](Cc1ccccc1F)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000438201375 305182970 /nfs/dbraw/zinc/18/29/70/305182970.db2.gz PQZODCKCVYUCJE-QGZVFWFLSA-N 2 2 337.483 1.736 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442760542 305229778 /nfs/dbraw/zinc/22/97/78/305229778.db2.gz NNQMDNYSHVYIPT-LSDHHAIUSA-N 2 2 346.475 1.776 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000442760542 305229779 /nfs/dbraw/zinc/22/97/79/305229779.db2.gz NNQMDNYSHVYIPT-LSDHHAIUSA-N 2 2 346.475 1.776 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000443194820 305236492 /nfs/dbraw/zinc/23/64/92/305236492.db2.gz FFVSSMJZKUPHEG-IYBDPMFKSA-N 2 2 346.456 1.114 20 0 EDADLP C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)C[C@@H]2C1 ZINC000443194820 305236493 /nfs/dbraw/zinc/23/64/93/305236493.db2.gz FFVSSMJZKUPHEG-IYBDPMFKSA-N 2 2 346.456 1.114 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000444454055 305248782 /nfs/dbraw/zinc/24/87/82/305248782.db2.gz LXQXYKYTCSVHGC-HOTGVXAUSA-N 2 2 331.460 1.909 20 0 EDADLP C[C@H](CCCO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000447126220 305274136 /nfs/dbraw/zinc/27/41/36/305274136.db2.gz WLXBXDLOHBCFRW-CQSZACIVSA-N 2 2 326.485 1.005 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449726219 305318119 /nfs/dbraw/zinc/31/81/19/305318119.db2.gz KGAMUTMPLBOLRN-GFCCVEGCSA-N 2 2 328.338 1.995 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000451031550 305331822 /nfs/dbraw/zinc/33/18/22/305331822.db2.gz WONGILPXIZQRRI-OAHLLOKOSA-N 2 2 332.448 1.469 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000451031550 305331823 /nfs/dbraw/zinc/33/18/23/305331823.db2.gz WONGILPXIZQRRI-OAHLLOKOSA-N 2 2 332.448 1.469 20 0 EDADLP NC(=O)CC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCOc2ccccc21 ZINC000451706687 305363540 /nfs/dbraw/zinc/36/35/40/305363540.db2.gz HBTQBQDFEUVZIM-INIZCTEOSA-N 2 2 328.416 1.974 20 0 EDADLP NC(=O)CC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCOc2ccccc21 ZINC000451706687 305363541 /nfs/dbraw/zinc/36/35/41/305363541.db2.gz HBTQBQDFEUVZIM-INIZCTEOSA-N 2 2 328.416 1.974 20 0 EDADLP c1c(CNc2ccc(N3CCOCC3)c[nH+]2)onc1C1CC[NH2+]CC1 ZINC000425892934 447351861 /nfs/dbraw/zinc/35/18/61/447351861.db2.gz CGILBQQJAAIFTI-UHFFFAOYSA-N 2 2 343.431 1.985 20 0 EDADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc21 ZINC000493588351 305620167 /nfs/dbraw/zinc/62/01/67/305620167.db2.gz RELODBVAAPWYQB-GQCTYLIASA-N 2 2 341.371 1.531 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000458420400 447356608 /nfs/dbraw/zinc/35/66/08/447356608.db2.gz SQJSJFYPIGXZSW-OAHLLOKOSA-N 2 2 343.431 1.080 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000458420400 447356614 /nfs/dbraw/zinc/35/66/14/447356614.db2.gz SQJSJFYPIGXZSW-OAHLLOKOSA-N 2 2 343.431 1.080 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@H]3CCC[C@@H]3C[NH3+])c[nH+]2)CC1 ZINC000497263233 305687638 /nfs/dbraw/zinc/68/76/38/305687638.db2.gz SENIYXQDOSAXIY-HIFRSBDPSA-N 2 2 333.436 1.509 20 0 EDADLP Cc1ccccc1O[C@H](C)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000514932743 305709932 /nfs/dbraw/zinc/70/99/32/305709932.db2.gz LVBSRQRRZLVMOJ-OWSLCNJRSA-N 2 2 336.476 1.822 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000515234296 305717530 /nfs/dbraw/zinc/71/75/30/305717530.db2.gz FDZYICXJOBYIBS-ROUUACIJSA-N 2 2 336.476 1.601 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000518214696 305760070 /nfs/dbraw/zinc/76/00/70/305760070.db2.gz YRVNPLGCBVIJNQ-UTUOFQBUSA-N 2 2 332.370 1.865 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000521612457 305790879 /nfs/dbraw/zinc/79/08/79/305790879.db2.gz MLIHVDOWMOVLSF-BBRMVZONSA-N 2 2 332.404 1.260 20 0 EDADLP Cc1ncc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000525220777 305824329 /nfs/dbraw/zinc/82/43/29/305824329.db2.gz DHAKPHNNCKGMLK-UHFFFAOYSA-N 2 2 346.479 1.857 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000530223034 305934787 /nfs/dbraw/zinc/93/47/87/305934787.db2.gz LHYMQRGMAYDATN-GFCCVEGCSA-N 2 2 335.279 1.213 20 0 EDADLP C[N@H+](CC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCSC1 ZINC000534269186 306005104 /nfs/dbraw/zinc/00/51/04/306005104.db2.gz LFKJONRXSNXVDB-INIZCTEOSA-N 2 2 330.457 1.926 20 0 EDADLP C[N@@H+](CC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCSC1 ZINC000534269186 306005105 /nfs/dbraw/zinc/00/51/05/306005105.db2.gz LFKJONRXSNXVDB-INIZCTEOSA-N 2 2 330.457 1.926 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000534580590 306008141 /nfs/dbraw/zinc/00/81/41/306008141.db2.gz HXSUVXMHXKZCRT-CYBMUJFWSA-N 2 2 327.388 1.558 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000534580590 306008142 /nfs/dbraw/zinc/00/81/42/306008142.db2.gz HXSUVXMHXKZCRT-CYBMUJFWSA-N 2 2 327.388 1.558 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000539841508 306037575 /nfs/dbraw/zinc/03/75/75/306037575.db2.gz VXJXAIGRAIJLFE-UHFFFAOYSA-N 2 2 347.438 1.685 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000539841508 306037576 /nfs/dbraw/zinc/03/75/76/306037576.db2.gz VXJXAIGRAIJLFE-UHFFFAOYSA-N 2 2 347.438 1.685 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000540246345 306039132 /nfs/dbraw/zinc/03/91/32/306039132.db2.gz FJCVKZIQZOONOX-CALCHBBNSA-N 2 2 348.491 1.875 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000540246345 306039133 /nfs/dbraw/zinc/03/91/33/306039133.db2.gz FJCVKZIQZOONOX-CALCHBBNSA-N 2 2 348.491 1.875 20 0 EDADLP O=C(C[NH2+]C1(C2CC2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000544411309 306074946 /nfs/dbraw/zinc/07/49/46/306074946.db2.gz ZGKFMISUMAFXPN-UHFFFAOYSA-N 2 2 343.471 1.667 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)on1 ZINC000548665318 306133912 /nfs/dbraw/zinc/13/39/12/306133912.db2.gz YUIIMZPHRHZCCC-ZDUSSCGKSA-N 2 2 329.404 1.944 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)on1 ZINC000548665318 306133913 /nfs/dbraw/zinc/13/39/13/306133913.db2.gz YUIIMZPHRHZCCC-ZDUSSCGKSA-N 2 2 329.404 1.944 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000553164476 306183423 /nfs/dbraw/zinc/18/34/23/306183423.db2.gz SGGXGQQJNWECHE-HNNXBMFYSA-N 2 2 334.464 1.405 20 0 EDADLP CC(C)[NH2+]CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000553975654 306188314 /nfs/dbraw/zinc/18/83/14/306188314.db2.gz GCQKTZUIPKQICP-UHFFFAOYSA-N 2 2 347.459 1.490 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000556856374 306220720 /nfs/dbraw/zinc/22/07/20/306220720.db2.gz PIHPEFNSCBBQPK-FMKPAKJESA-N 2 2 338.448 1.264 20 0 EDADLP COCCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)c1 ZINC000556942076 306221542 /nfs/dbraw/zinc/22/15/42/306221542.db2.gz IEHJOGVCMKHHGU-AWEZNQCLSA-N 2 2 336.436 1.127 20 0 EDADLP COCCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)c1 ZINC000556942076 306221543 /nfs/dbraw/zinc/22/15/43/306221543.db2.gz IEHJOGVCMKHHGU-AWEZNQCLSA-N 2 2 336.436 1.127 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H](C)[NH+]2CC(C)C2)[NH+]2CCOCC2)c1 ZINC000557523141 306229053 /nfs/dbraw/zinc/22/90/53/306229053.db2.gz JBNQUQWFEMBBBH-HKUYNNGSSA-N 2 2 345.487 1.825 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000377830182 447375635 /nfs/dbraw/zinc/37/56/35/447375635.db2.gz BOIYWARRYYBBGJ-MSOLQXFVSA-N 2 2 348.466 1.452 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000377830182 447375637 /nfs/dbraw/zinc/37/56/37/447375637.db2.gz BOIYWARRYYBBGJ-MSOLQXFVSA-N 2 2 348.466 1.452 20 0 EDADLP CC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](CC)O1 ZINC000422176507 447387930 /nfs/dbraw/zinc/38/79/30/447387930.db2.gz IAEWVZNOWWKUFG-IRXDYDNUSA-N 2 2 340.512 1.611 20 0 EDADLP CC[C@H](CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)OC ZINC000422201131 447400772 /nfs/dbraw/zinc/40/07/72/447400772.db2.gz KMOUJMDUPLHMIN-QGZVFWFLSA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@H](CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)OC ZINC000422201131 447400776 /nfs/dbraw/zinc/40/07/76/447400776.db2.gz KMOUJMDUPLHMIN-QGZVFWFLSA-N 2 2 340.512 1.613 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661188303 453751548 /nfs/dbraw/zinc/75/15/48/453751548.db2.gz YRJDWLPLUIYRGN-QWRGUYRKSA-N 2 2 325.356 1.099 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661188303 453751552 /nfs/dbraw/zinc/75/15/52/453751552.db2.gz YRJDWLPLUIYRGN-QWRGUYRKSA-N 2 2 325.356 1.099 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493962084 447421177 /nfs/dbraw/zinc/42/11/77/447421177.db2.gz SQNFFLGRERTQPT-ABHNRTSZSA-N 2 2 331.460 1.664 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000493962084 447421182 /nfs/dbraw/zinc/42/11/82/447421182.db2.gz SQNFFLGRERTQPT-ABHNRTSZSA-N 2 2 331.460 1.664 20 0 EDADLP COc1ccccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378364927 447421859 /nfs/dbraw/zinc/42/18/59/447421859.db2.gz GMTGGGMIRGTTPH-OAHLLOKOSA-N 2 2 331.460 1.936 20 0 EDADLP COc1ccccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378364927 447421864 /nfs/dbraw/zinc/42/18/64/447421864.db2.gz GMTGGGMIRGTTPH-OAHLLOKOSA-N 2 2 331.460 1.936 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000044438458 440845399 /nfs/dbraw/zinc/84/53/99/440845399.db2.gz YSWIGBGEAXGRKA-UHFFFAOYSA-N 2 2 325.403 1.997 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000044438458 440845407 /nfs/dbraw/zinc/84/54/07/440845407.db2.gz YSWIGBGEAXGRKA-UHFFFAOYSA-N 2 2 325.403 1.997 20 0 EDADLP CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCOCC1 ZINC000045052636 440943283 /nfs/dbraw/zinc/94/32/83/440943283.db2.gz ZYWMBSMVNPNXPI-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000045425089 440983293 /nfs/dbraw/zinc/98/32/93/440983293.db2.gz RECUMDILRJTMOG-UHFFFAOYSA-N 2 2 329.448 1.860 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057172222 441095283 /nfs/dbraw/zinc/09/52/83/441095283.db2.gz JFUPGRZUNLDMPH-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057172222 441095286 /nfs/dbraw/zinc/09/52/86/441095286.db2.gz JFUPGRZUNLDMPH-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(F)cc1Br ZINC000071150644 441141534 /nfs/dbraw/zinc/14/15/34/441141534.db2.gz KJLSHMWBVVAMDI-UHFFFAOYSA-N 2 2 330.245 1.925 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(F)cc1Br ZINC000071150644 441141537 /nfs/dbraw/zinc/14/15/37/441141537.db2.gz KJLSHMWBVVAMDI-UHFFFAOYSA-N 2 2 330.245 1.925 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080552198 441178901 /nfs/dbraw/zinc/17/89/01/441178901.db2.gz DXDKXDVVGLTBMJ-CRAIPNDOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080552198 441178905 /nfs/dbraw/zinc/17/89/05/441178905.db2.gz DXDKXDVVGLTBMJ-CRAIPNDOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H](CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@H+](C)C1CC1 ZINC000105115082 441235266 /nfs/dbraw/zinc/23/52/66/441235266.db2.gz JCPHIIJZNKWBKQ-CQSZACIVSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H](CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@@H+](C)C1CC1 ZINC000105115082 441235270 /nfs/dbraw/zinc/23/52/70/441235270.db2.gz JCPHIIJZNKWBKQ-CQSZACIVSA-N 2 2 331.464 1.964 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000104842484 441215315 /nfs/dbraw/zinc/21/53/15/441215315.db2.gz UTQQVQVYXOCZCV-LJQANCHMSA-N 2 2 345.487 1.737 20 0 EDADLP CC[N@H+](CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)C(C)C ZINC000105226927 441244234 /nfs/dbraw/zinc/24/42/34/441244234.db2.gz FIULFPJBKJBKME-UHFFFAOYSA-N 3 2 341.544 1.384 20 0 EDADLP CC[N@@H+](CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)C(C)C ZINC000105226927 441244239 /nfs/dbraw/zinc/24/42/39/441244239.db2.gz FIULFPJBKJBKME-UHFFFAOYSA-N 3 2 341.544 1.384 20 0 EDADLP CC[NH+](CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000105226927 441244243 /nfs/dbraw/zinc/24/42/43/441244243.db2.gz FIULFPJBKJBKME-UHFFFAOYSA-N 3 2 341.544 1.384 20 0 EDADLP CC[NH+](CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000105226927 441244248 /nfs/dbraw/zinc/24/42/48/441244248.db2.gz FIULFPJBKJBKME-UHFFFAOYSA-N 3 2 341.544 1.384 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000072860724 441270975 /nfs/dbraw/zinc/27/09/75/441270975.db2.gz ZDUYYETYMSBAOK-MRXNPFEDSA-N 2 2 349.475 1.594 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000072860724 441270979 /nfs/dbraw/zinc/27/09/79/441270979.db2.gz ZDUYYETYMSBAOK-MRXNPFEDSA-N 2 2 349.475 1.594 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000072860724 441270981 /nfs/dbraw/zinc/27/09/81/441270981.db2.gz ZDUYYETYMSBAOK-MRXNPFEDSA-N 2 2 349.475 1.594 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000072860724 441270985 /nfs/dbraw/zinc/27/09/85/441270985.db2.gz ZDUYYETYMSBAOK-MRXNPFEDSA-N 2 2 349.475 1.594 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000081572325 441290867 /nfs/dbraw/zinc/29/08/67/441290867.db2.gz SWXKVIPZKFIOGB-KRWDZBQOSA-N 2 2 333.476 1.975 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000081572325 441290870 /nfs/dbraw/zinc/29/08/70/441290870.db2.gz SWXKVIPZKFIOGB-KRWDZBQOSA-N 2 2 333.476 1.975 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000081572325 441290874 /nfs/dbraw/zinc/29/08/74/441290874.db2.gz SWXKVIPZKFIOGB-KRWDZBQOSA-N 2 2 333.476 1.975 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000081572325 441290877 /nfs/dbraw/zinc/29/08/77/441290877.db2.gz SWXKVIPZKFIOGB-KRWDZBQOSA-N 2 2 333.476 1.975 20 0 EDADLP COc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000050800496 441389915 /nfs/dbraw/zinc/38/99/15/441389915.db2.gz QBAHFVOMAMDGCQ-UHFFFAOYSA-N 2 2 332.448 1.379 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000073809707 441356418 /nfs/dbraw/zinc/35/64/18/441356418.db2.gz MUGYMUMQWDZXHB-QGZVFWFLSA-N 2 2 349.479 1.560 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000073964174 441374067 /nfs/dbraw/zinc/37/40/67/441374067.db2.gz POGFCSNRLDCFJX-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3F)C2)CC1 ZINC000107368240 441412006 /nfs/dbraw/zinc/41/20/06/441412006.db2.gz OZJFVVGQEISVRM-YJBOKZPZSA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)c3ccc(F)cc3F)C2)CC1 ZINC000107368240 441412011 /nfs/dbraw/zinc/41/20/11/441412011.db2.gz OZJFVVGQEISVRM-YJBOKZPZSA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3)C2)CC1 ZINC000107370021 441412344 /nfs/dbraw/zinc/41/23/44/441412344.db2.gz ILBQDQABGYHVNN-FUHWJXTLSA-N 2 2 330.476 1.725 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3)C2)CC1 ZINC000107370021 441412346 /nfs/dbraw/zinc/41/23/46/441412346.db2.gz ILBQDQABGYHVNN-FUHWJXTLSA-N 2 2 330.476 1.725 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC000107371780 441413631 /nfs/dbraw/zinc/41/36/31/441413631.db2.gz ITNPXSRYLWCNGU-RCCFBDPRSA-N 2 2 336.524 1.393 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)CC1 ZINC000107371780 441413633 /nfs/dbraw/zinc/41/36/33/441413633.db2.gz ITNPXSRYLWCNGU-RCCFBDPRSA-N 2 2 336.524 1.393 20 0 EDADLP Cc1ccc(OCCC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1C ZINC000051763208 441422980 /nfs/dbraw/zinc/42/29/80/441422980.db2.gz CQMWSEMLISMDPG-UHFFFAOYSA-N 2 2 333.476 1.778 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCO[C@@H](C)C1 ZINC000028127993 441427030 /nfs/dbraw/zinc/42/70/30/441427030.db2.gz DNSPFEKZTUDNLK-IRXDYDNUSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCO[C@@H](C)C1 ZINC000028127993 441427032 /nfs/dbraw/zinc/42/70/32/441427032.db2.gz DNSPFEKZTUDNLK-IRXDYDNUSA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnccn3)cc2)CC1 ZINC000107801595 441431439 /nfs/dbraw/zinc/43/14/39/441431439.db2.gz IWPOASVIHFMUKH-UHFFFAOYSA-N 2 2 325.460 1.904 20 0 EDADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnccn3)cc2)CC1 ZINC000107801595 441431444 /nfs/dbraw/zinc/43/14/44/441431444.db2.gz IWPOASVIHFMUKH-UHFFFAOYSA-N 2 2 325.460 1.904 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000052289431 441444887 /nfs/dbraw/zinc/44/48/87/441444887.db2.gz GLWCXDBZAFNZLD-UHFFFAOYSA-N 2 2 342.447 1.550 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCC[C@H]3CO)CC2)c1 ZINC000052870961 441483124 /nfs/dbraw/zinc/48/31/24/441483124.db2.gz SLXZRDZMGNEUPD-IBGZPJMESA-N 2 2 345.487 1.486 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCC[C@H]3CO)CC2)c1 ZINC000052870961 441483127 /nfs/dbraw/zinc/48/31/27/441483127.db2.gz SLXZRDZMGNEUPD-IBGZPJMESA-N 2 2 345.487 1.486 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000052498806 441454172 /nfs/dbraw/zinc/45/41/72/441454172.db2.gz FUQLPAQBZJMKNF-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000052498806 441454177 /nfs/dbraw/zinc/45/41/77/441454177.db2.gz FUQLPAQBZJMKNF-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000052498806 441454183 /nfs/dbraw/zinc/45/41/83/441454183.db2.gz FUQLPAQBZJMKNF-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000052498806 441454185 /nfs/dbraw/zinc/45/41/85/441454185.db2.gz FUQLPAQBZJMKNF-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108543889 441462386 /nfs/dbraw/zinc/46/23/86/441462386.db2.gz VXIBHLRPFCUMBU-HNNXBMFYSA-N 2 2 329.448 1.986 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108543889 441462388 /nfs/dbraw/zinc/46/23/88/441462388.db2.gz VXIBHLRPFCUMBU-HNNXBMFYSA-N 2 2 329.448 1.986 20 0 EDADLP C[C@H](CCCO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000088597254 441515210 /nfs/dbraw/zinc/51/52/10/441515210.db2.gz QAYOENOHJWBMPM-MRXNPFEDSA-N 2 2 340.512 1.397 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000054509559 441581714 /nfs/dbraw/zinc/58/17/14/441581714.db2.gz ZYSZXUCKYUHXIP-HNNXBMFYSA-N 2 2 329.448 1.908 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000054509559 441581715 /nfs/dbraw/zinc/58/17/15/441581715.db2.gz ZYSZXUCKYUHXIP-HNNXBMFYSA-N 2 2 329.448 1.908 20 0 EDADLP C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926832 441596091 /nfs/dbraw/zinc/59/60/91/441596091.db2.gz YTTNVYCFEADELW-JKSUJKDBSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000113639991 441621398 /nfs/dbraw/zinc/62/13/98/441621398.db2.gz UFBZISRXRHSARY-UHFFFAOYSA-N 2 2 341.415 1.365 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2)C[C@H](C)O1 ZINC000114125452 441636343 /nfs/dbraw/zinc/63/63/43/441636343.db2.gz VHCILHDVZFLODA-OKILXGFUSA-N 2 2 328.416 1.949 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2)C[C@H](C)O1 ZINC000114125452 441636347 /nfs/dbraw/zinc/63/63/47/441636347.db2.gz VHCILHDVZFLODA-OKILXGFUSA-N 2 2 328.416 1.949 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000091457638 441702916 /nfs/dbraw/zinc/70/29/16/441702916.db2.gz VKPCTIGYKWSQIK-CVEARBPZSA-N 2 2 333.480 1.829 20 0 EDADLP CCC[N@H+]1CC[C@H](CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000091457638 441702925 /nfs/dbraw/zinc/70/29/25/441702925.db2.gz VKPCTIGYKWSQIK-CVEARBPZSA-N 2 2 333.480 1.829 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000091457638 441702930 /nfs/dbraw/zinc/70/29/30/441702930.db2.gz VKPCTIGYKWSQIK-CVEARBPZSA-N 2 2 333.480 1.829 20 0 EDADLP CCC[N@H+]1CC[C@H](CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000091457638 441702934 /nfs/dbraw/zinc/70/29/34/441702934.db2.gz VKPCTIGYKWSQIK-CVEARBPZSA-N 2 2 333.480 1.829 20 0 EDADLP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]3CCOCC3)c(C)n2n1 ZINC000091726963 441732686 /nfs/dbraw/zinc/73/26/86/441732686.db2.gz JSFDWLDVGASOJJ-UKRRQHHQSA-N 2 2 331.464 1.965 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121714167 441764323 /nfs/dbraw/zinc/76/43/23/441764323.db2.gz VGPNDVSVDCHMKU-QZTJIDSGSA-N 2 2 347.459 1.855 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000173645093 441812740 /nfs/dbraw/zinc/81/27/40/441812740.db2.gz QMVBQDBNFNLZKK-CQSZACIVSA-N 2 2 337.439 1.531 20 0 EDADLP Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961369 441870280 /nfs/dbraw/zinc/87/02/80/441870280.db2.gz IERBSJULLOFLDE-UHFFFAOYSA-N 2 2 349.479 1.542 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116589369 441832555 /nfs/dbraw/zinc/83/25/55/441832555.db2.gz IVAFDEFRJVBCQI-AWEZNQCLSA-N 2 2 336.436 1.511 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCO1 ZINC000174224571 441904727 /nfs/dbraw/zinc/90/47/27/441904727.db2.gz KFKOXQSZQQKOIU-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCO1 ZINC000174224571 441904732 /nfs/dbraw/zinc/90/47/32/441904732.db2.gz KFKOXQSZQQKOIU-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124354595 441920081 /nfs/dbraw/zinc/92/00/81/441920081.db2.gz IATNYJPBQYMNAE-UHFFFAOYSA-N 2 2 329.404 1.802 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124354595 441920084 /nfs/dbraw/zinc/92/00/84/441920084.db2.gz IATNYJPBQYMNAE-UHFFFAOYSA-N 2 2 329.404 1.802 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000144550852 441883985 /nfs/dbraw/zinc/88/39/85/441883985.db2.gz QAXXHVOOUGXVHP-MSOLQXFVSA-N 2 2 333.476 1.762 20 0 EDADLP C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCSCC1 ZINC000124956745 441969817 /nfs/dbraw/zinc/96/98/17/441969817.db2.gz FYMDIPDFACARDI-RBSFLKMASA-N 2 2 343.537 1.428 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)NCc3ccccc3)C2)CC1 ZINC000174873732 441976535 /nfs/dbraw/zinc/97/65/35/441976535.db2.gz VYXBZBSJJDSDHO-IBGZPJMESA-N 2 2 344.503 1.405 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NCc3ccccc3)C2)CC1 ZINC000174873732 441976540 /nfs/dbraw/zinc/97/65/40/441976540.db2.gz VYXBZBSJJDSDHO-IBGZPJMESA-N 2 2 344.503 1.405 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)sc2n1 ZINC000150836558 441959617 /nfs/dbraw/zinc/95/96/17/441959617.db2.gz XXBGAJBRXVEOMY-CYBMUJFWSA-N 2 2 333.461 1.377 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)sc2n1 ZINC000150836558 441959623 /nfs/dbraw/zinc/95/96/23/441959623.db2.gz XXBGAJBRXVEOMY-CYBMUJFWSA-N 2 2 333.461 1.377 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000124873194 441961684 /nfs/dbraw/zinc/96/16/84/441961684.db2.gz XRZKCKAZMXEOAY-QGZVFWFLSA-N 2 2 332.448 1.017 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000124873194 441961691 /nfs/dbraw/zinc/96/16/91/441961691.db2.gz XRZKCKAZMXEOAY-QGZVFWFLSA-N 2 2 332.448 1.017 20 0 EDADLP COc1cc(C)cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1O ZINC000174996452 441993032 /nfs/dbraw/zinc/99/30/32/441993032.db2.gz AODJEHPACHTDQZ-UHFFFAOYSA-N 2 2 335.448 1.465 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119989900 441988361 /nfs/dbraw/zinc/98/83/61/441988361.db2.gz ZZVJPGRRAOAWAC-OAHLLOKOSA-N 2 2 327.494 1.888 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119989900 441988368 /nfs/dbraw/zinc/98/83/68/441988368.db2.gz ZZVJPGRRAOAWAC-OAHLLOKOSA-N 2 2 327.494 1.888 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175121029 442007468 /nfs/dbraw/zinc/00/74/68/442007468.db2.gz VKAOXPJUXCOEGD-UHFFFAOYSA-N 2 2 347.463 1.793 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000162432767 442092399 /nfs/dbraw/zinc/09/23/99/442092399.db2.gz CPPPKSSMBDNPKB-SJORKVTESA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000162432767 442092402 /nfs/dbraw/zinc/09/24/02/442092402.db2.gz CPPPKSSMBDNPKB-SJORKVTESA-N 2 2 335.423 1.098 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000120434088 442071518 /nfs/dbraw/zinc/07/15/18/442071518.db2.gz QMEYMFGLQISLBH-GOSISDBHSA-N 2 2 347.463 1.347 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000079771447 442084711 /nfs/dbraw/zinc/08/47/11/442084711.db2.gz NSSJLTRVRYCWCD-INIZCTEOSA-N 2 2 337.468 1.319 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000079771447 442084716 /nfs/dbraw/zinc/08/47/16/442084716.db2.gz NSSJLTRVRYCWCD-INIZCTEOSA-N 2 2 337.468 1.319 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000079771523 442085240 /nfs/dbraw/zinc/08/52/40/442085240.db2.gz TVBSDOLVCMDXBZ-INIZCTEOSA-N 2 2 335.452 1.170 20 0 EDADLP Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc2)n1 ZINC000162664603 442113388 /nfs/dbraw/zinc/11/33/88/442113388.db2.gz RUMRMDBGVHQHCX-QGZVFWFLSA-N 2 2 327.432 1.204 20 0 EDADLP Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc2)n1 ZINC000162664603 442113394 /nfs/dbraw/zinc/11/33/94/442113394.db2.gz RUMRMDBGVHQHCX-QGZVFWFLSA-N 2 2 327.432 1.204 20 0 EDADLP CCn1cc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000151765228 442116958 /nfs/dbraw/zinc/11/69/58/442116958.db2.gz USCJTQZZNMRELR-KXBFYZLASA-N 2 2 328.460 1.973 20 0 EDADLP CCn1cc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000151765228 442116962 /nfs/dbraw/zinc/11/69/62/442116962.db2.gz USCJTQZZNMRELR-KXBFYZLASA-N 2 2 328.460 1.973 20 0 EDADLP C[N@H+](CCN1C(=O)CCC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784469 442121665 /nfs/dbraw/zinc/12/16/65/442121665.db2.gz SRDYDHYBHPJMCK-UHFFFAOYSA-N 2 2 344.459 1.169 20 0 EDADLP C[N@@H+](CCN1C(=O)CCC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784469 442121671 /nfs/dbraw/zinc/12/16/71/442121671.db2.gz SRDYDHYBHPJMCK-UHFFFAOYSA-N 2 2 344.459 1.169 20 0 EDADLP C[C@@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C[NH+]1CCN(C)CC1 ZINC000175793869 442123380 /nfs/dbraw/zinc/12/33/80/442123380.db2.gz MCYOMLWJIMRFQU-HOTGVXAUSA-N 2 2 348.495 1.530 20 0 EDADLP C[C@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C[NH+]1CCN(C)CC1 ZINC000175793848 442123542 /nfs/dbraw/zinc/12/35/42/442123542.db2.gz MCYOMLWJIMRFQU-HZPDHXFCSA-N 2 2 348.495 1.530 20 0 EDADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000162852836 442126584 /nfs/dbraw/zinc/12/65/84/442126584.db2.gz HSSXEJHRIMVJIN-DOTOQJQBSA-N 2 2 347.459 1.472 20 0 EDADLP Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000162562690 442104454 /nfs/dbraw/zinc/10/44/54/442104454.db2.gz ASHFNWJUERGZDX-ROUUACIJSA-N 2 2 331.460 1.267 20 0 EDADLP Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000162562690 442104460 /nfs/dbraw/zinc/10/44/60/442104460.db2.gz ASHFNWJUERGZDX-ROUUACIJSA-N 2 2 331.460 1.267 20 0 EDADLP C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120628934 442106839 /nfs/dbraw/zinc/10/68/39/442106839.db2.gz ZEOVFFSMCGCTOV-XHSDSOJGSA-N 2 2 346.475 1.796 20 0 EDADLP C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120628934 442106844 /nfs/dbraw/zinc/10/68/44/442106844.db2.gz ZEOVFFSMCGCTOV-XHSDSOJGSA-N 2 2 346.475 1.796 20 0 EDADLP COc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(OC)c1 ZINC000152358836 442201609 /nfs/dbraw/zinc/20/16/09/442201609.db2.gz AMSIVFSHBLFCMZ-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(OC)c1 ZINC000152358836 442201612 /nfs/dbraw/zinc/20/16/12/442201612.db2.gz AMSIVFSHBLFCMZ-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000152358836 442201614 /nfs/dbraw/zinc/20/16/14/442201614.db2.gz AMSIVFSHBLFCMZ-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000152358836 442201616 /nfs/dbraw/zinc/20/16/16/442201616.db2.gz AMSIVFSHBLFCMZ-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2([NH3+])Cc3ccccc3C2)cn1 ZINC000164805114 442203308 /nfs/dbraw/zinc/20/33/08/442203308.db2.gz UTLAQSNJWOMCEW-UHFFFAOYSA-N 2 2 347.422 1.688 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C[C@@H]1CCC[NH+](C)C1 ZINC000152368721 442203513 /nfs/dbraw/zinc/20/35/13/442203513.db2.gz MYTMLLJDPMLLTQ-WBVHZDCISA-N 2 2 331.460 1.380 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C[C@@H]1CCC[NH+](C)C1 ZINC000152368721 442203516 /nfs/dbraw/zinc/20/35/16/442203516.db2.gz MYTMLLJDPMLLTQ-WBVHZDCISA-N 2 2 331.460 1.380 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152368721 442203517 /nfs/dbraw/zinc/20/35/17/442203517.db2.gz MYTMLLJDPMLLTQ-WBVHZDCISA-N 2 2 331.460 1.380 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152368721 442203520 /nfs/dbraw/zinc/20/35/20/442203520.db2.gz MYTMLLJDPMLLTQ-WBVHZDCISA-N 2 2 331.460 1.380 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000127638472 442217539 /nfs/dbraw/zinc/21/75/39/442217539.db2.gz BPUCGZFSHVKYFC-QGZVFWFLSA-N 2 2 326.400 1.465 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000127638472 442217541 /nfs/dbraw/zinc/21/75/41/442217541.db2.gz BPUCGZFSHVKYFC-QGZVFWFLSA-N 2 2 326.400 1.465 20 0 EDADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC[NH+](C)C)c2C1 ZINC000170564926 442232599 /nfs/dbraw/zinc/23/25/99/442232599.db2.gz HCRRQSHQKFDNIC-UHFFFAOYSA-N 2 2 326.444 1.904 20 0 EDADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC[NH+](C)C)c2C1 ZINC000170564926 442232603 /nfs/dbraw/zinc/23/26/03/442232603.db2.gz HCRRQSHQKFDNIC-UHFFFAOYSA-N 2 2 326.444 1.904 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000170828143 442270240 /nfs/dbraw/zinc/27/02/40/442270240.db2.gz RDGFBLFOJNUKPN-QGZVFWFLSA-N 2 2 341.459 1.819 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000176928708 442274759 /nfs/dbraw/zinc/27/47/59/442274759.db2.gz ZEDUKWNXYRINFO-UHFFFAOYSA-N 2 2 341.415 1.236 20 0 EDADLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000170886361 442283757 /nfs/dbraw/zinc/28/37/57/442283757.db2.gz HURDULFHVOUTKX-CABCVRRESA-N 2 2 328.416 1.711 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171037781 442302774 /nfs/dbraw/zinc/30/27/74/442302774.db2.gz IZAXGKYRHDEOAJ-MRXNPFEDSA-N 2 2 340.431 1.647 20 0 EDADLP CC(C)c1noc(CCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000177138424 442303473 /nfs/dbraw/zinc/30/34/73/442303473.db2.gz VBEVRWDKFRAYOE-UHFFFAOYSA-N 2 2 337.468 1.268 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177373594 442333228 /nfs/dbraw/zinc/33/32/28/442333228.db2.gz FOWUTSCYVYHKOY-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177373594 442333229 /nfs/dbraw/zinc/33/32/29/442333229.db2.gz FOWUTSCYVYHKOY-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177373594 442333232 /nfs/dbraw/zinc/33/32/32/442333232.db2.gz FOWUTSCYVYHKOY-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177373594 442333234 /nfs/dbraw/zinc/33/32/34/442333234.db2.gz FOWUTSCYVYHKOY-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnnn1-c1ccccc1 ZINC000177380694 442334963 /nfs/dbraw/zinc/33/49/63/442334963.db2.gz WVHYUDPTKYPFKC-UHFFFAOYSA-N 2 2 343.479 1.120 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnnn1-c1ccccc1 ZINC000177380694 442334965 /nfs/dbraw/zinc/33/49/65/442334965.db2.gz WVHYUDPTKYPFKC-UHFFFAOYSA-N 2 2 343.479 1.120 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N(C)CC[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000171418901 442346840 /nfs/dbraw/zinc/34/68/40/442346840.db2.gz DGXJXSYZQXDEPT-UHFFFAOYSA-N 2 2 346.475 1.397 20 0 EDADLP COC(=O)Nc1ccccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177152812 442306056 /nfs/dbraw/zinc/30/60/56/442306056.db2.gz VCLCMWMYNBCITP-UHFFFAOYSA-N 2 2 348.447 1.621 20 0 EDADLP C[C@H]1CC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000153840993 442306997 /nfs/dbraw/zinc/30/69/97/442306997.db2.gz KFBXEAKWVCLVTL-KBPBESRZSA-N 2 2 326.485 1.268 20 0 EDADLP COc1cccc([C@@H](C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177157513 442307344 /nfs/dbraw/zinc/30/73/44/442307344.db2.gz GHGGDNQQTYZERI-OAHLLOKOSA-N 2 2 333.476 1.941 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171103888 442313090 /nfs/dbraw/zinc/31/30/90/442313090.db2.gz RGLDGLCZHNQUPV-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171103888 442313091 /nfs/dbraw/zinc/31/30/91/442313091.db2.gz RGLDGLCZHNQUPV-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000155000886 442369966 /nfs/dbraw/zinc/36/99/66/442369966.db2.gz TXWDLHTUFWCCNQ-UHFFFAOYSA-N 2 2 342.443 1.878 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177783566 442383911 /nfs/dbraw/zinc/38/39/11/442383911.db2.gz JCTQGVPIWJQXTE-INIZCTEOSA-N 2 2 327.432 1.962 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000177842110 442390133 /nfs/dbraw/zinc/39/01/33/442390133.db2.gz RUXQOBWXLGDLJX-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000177842110 442390135 /nfs/dbraw/zinc/39/01/35/442390135.db2.gz RUXQOBWXLGDLJX-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)NCCCn2cc[nH+]c2)ccc1F ZINC000172121529 442410918 /nfs/dbraw/zinc/41/09/18/442410918.db2.gz LUQUDKOMOQRCNK-UHFFFAOYSA-N 2 2 333.411 1.973 20 0 EDADLP C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156506929 442487813 /nfs/dbraw/zinc/48/78/13/442487813.db2.gz DAYMPGPNSSDYEE-RDJZCZTQSA-N 2 2 348.472 1.745 20 0 EDADLP C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156506929 442487817 /nfs/dbraw/zinc/48/78/17/442487817.db2.gz DAYMPGPNSSDYEE-RDJZCZTQSA-N 2 2 348.472 1.745 20 0 EDADLP C[C@@H](CNC(=O)NCCCNc1cccc[nH+]1)C[NH+]1CCOCC1 ZINC000156636189 442504358 /nfs/dbraw/zinc/50/43/58/442504358.db2.gz XPCDEKDACRLJLR-HNNXBMFYSA-N 2 2 335.452 1.151 20 0 EDADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cccc(O)c1 ZINC000134286233 442464632 /nfs/dbraw/zinc/46/46/32/442464632.db2.gz XSRMVKOMBQXNLE-AWEZNQCLSA-N 2 2 327.432 1.785 20 0 EDADLP Cc1nccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000172750001 442534158 /nfs/dbraw/zinc/53/41/58/442534158.db2.gz GVDSVOGZLQNXHM-UHFFFAOYSA-N 2 2 331.464 1.465 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000172722066 442526112 /nfs/dbraw/zinc/52/61/12/442526112.db2.gz OHMLXGMMDJWDEF-QGZVFWFLSA-N 2 2 349.500 1.895 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000172722066 442526114 /nfs/dbraw/zinc/52/61/14/442526114.db2.gz OHMLXGMMDJWDEF-QGZVFWFLSA-N 2 2 349.500 1.895 20 0 EDADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC000136064471 442648856 /nfs/dbraw/zinc/64/88/56/442648856.db2.gz VJBYDMPAJVRSOK-ROUUACIJSA-N 2 2 336.524 1.347 20 0 EDADLP C[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC000136064471 442648858 /nfs/dbraw/zinc/64/88/58/442648858.db2.gz VJBYDMPAJVRSOK-ROUUACIJSA-N 2 2 336.524 1.347 20 0 EDADLP CC1CC[NH+](CC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000136109297 442650999 /nfs/dbraw/zinc/65/09/99/442650999.db2.gz SNQRIRKUBUTOAT-UHFFFAOYSA-N 2 2 331.464 1.504 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)c3coc(C[NH3+])c3)c[nH+]2)C[C@H](C)O1 ZINC000188063897 442707182 /nfs/dbraw/zinc/70/71/82/442707182.db2.gz DPFBQATYMLZPLP-BETUJISGSA-N 2 2 344.415 1.677 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+]1CCO ZINC000187254993 442664299 /nfs/dbraw/zinc/66/42/99/442664299.db2.gz FWJZOQJFZLSQRY-MJGOQNOKSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1CCO ZINC000187254993 442664301 /nfs/dbraw/zinc/66/43/01/442664301.db2.gz FWJZOQJFZLSQRY-MJGOQNOKSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000187254993 442664302 /nfs/dbraw/zinc/66/43/02/442664302.db2.gz FWJZOQJFZLSQRY-MJGOQNOKSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000187254993 442664304 /nfs/dbraw/zinc/66/43/04/442664304.db2.gz FWJZOQJFZLSQRY-MJGOQNOKSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCSCC1 ZINC000187348726 442671393 /nfs/dbraw/zinc/67/13/93/442671393.db2.gz LRJGFLWFBITHHE-GOEBONIOSA-N 2 2 341.521 1.041 20 0 EDADLP C[N@H+](C[C@H](O)C(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188267377 442731478 /nfs/dbraw/zinc/73/14/78/442731478.db2.gz TYINOCXRIUAKAK-LSDHHAIUSA-N 2 2 332.366 1.478 20 0 EDADLP C[N@@H+](C[C@H](O)C(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188267377 442731480 /nfs/dbraw/zinc/73/14/80/442731480.db2.gz TYINOCXRIUAKAK-LSDHHAIUSA-N 2 2 332.366 1.478 20 0 EDADLP C[NH+](C[C@H](O)C(F)(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188267377 442731482 /nfs/dbraw/zinc/73/14/82/442731482.db2.gz TYINOCXRIUAKAK-LSDHHAIUSA-N 2 2 332.366 1.478 20 0 EDADLP C[NH+](C[C@H](O)C(F)(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188267377 442731485 /nfs/dbraw/zinc/73/14/85/442731485.db2.gz TYINOCXRIUAKAK-LSDHHAIUSA-N 2 2 332.366 1.478 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[NH+](CCOC)CC2)c[nH+]1 ZINC000193310993 442731765 /nfs/dbraw/zinc/73/17/65/442731765.db2.gz FLKQBUKLIGETKL-UHFFFAOYSA-N 2 2 349.479 1.401 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000182084413 442734182 /nfs/dbraw/zinc/73/41/82/442734182.db2.gz KQQDUPVDGYJICF-OAHLLOKOSA-N 2 2 349.866 1.759 20 0 EDADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188076905 442708449 /nfs/dbraw/zinc/70/84/49/442708449.db2.gz UXPRUDQEDUECKX-CZUORRHYSA-N 2 2 337.851 1.534 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CS(C)(=O)=O)cc1F ZINC000182602159 442793672 /nfs/dbraw/zinc/79/36/72/442793672.db2.gz HDAHYICBOKAXQV-LLVKDONJSA-N 2 2 325.409 1.843 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1CC(C)(C)O ZINC000188711968 442794746 /nfs/dbraw/zinc/79/47/46/442794746.db2.gz GPKNVQXIQTYXIH-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1CC(C)(C)O ZINC000188711968 442794751 /nfs/dbraw/zinc/79/47/51/442794751.db2.gz GPKNVQXIQTYXIH-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000182541983 442783459 /nfs/dbraw/zinc/78/34/59/442783459.db2.gz YYPRZPHAWDKTCR-MAUKXSAKSA-N 2 2 349.475 1.592 20 0 EDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000268047488 442828505 /nfs/dbraw/zinc/82/85/05/442828505.db2.gz QSNHXOYXZPCXON-CYBMUJFWSA-N 2 2 328.420 1.091 20 0 EDADLP C[C@H]1CSCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265629065 442851947 /nfs/dbraw/zinc/85/19/47/442851947.db2.gz CVTXDYYOACNAIL-INIZCTEOSA-N 2 2 333.501 1.768 20 0 EDADLP C[C@H]1CSCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265629065 442851950 /nfs/dbraw/zinc/85/19/50/442851950.db2.gz CVTXDYYOACNAIL-INIZCTEOSA-N 2 2 333.501 1.768 20 0 EDADLP CC(C)Cn1ncnc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182896112 442844046 /nfs/dbraw/zinc/84/40/46/442844046.db2.gz CYVOCFMICZGZHI-QGZVFWFLSA-N 2 2 334.512 1.536 20 0 EDADLP CC(C)Cn1ncnc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182896112 442844049 /nfs/dbraw/zinc/84/40/49/442844049.db2.gz CYVOCFMICZGZHI-QGZVFWFLSA-N 2 2 334.512 1.536 20 0 EDADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188959717 442849497 /nfs/dbraw/zinc/84/94/97/442849497.db2.gz CSDGOLHAPDLUOV-UHFFFAOYSA-N 2 2 345.422 1.399 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000188987837 442855909 /nfs/dbraw/zinc/85/59/09/442855909.db2.gz FGQSERPFDGFKBT-QOWREQOWSA-N 2 2 327.350 1.526 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000188987837 442855912 /nfs/dbraw/zinc/85/59/12/442855912.db2.gz FGQSERPFDGFKBT-QOWREQOWSA-N 2 2 327.350 1.526 20 0 EDADLP CCOc1ncccc1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175594123 318439410 /nfs/dbraw/zinc/43/94/10/318439410.db2.gz AAZMOYNSNYOYQG-UHFFFAOYSA-N 2 2 349.479 1.306 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000184040806 318530930 /nfs/dbraw/zinc/53/09/30/318530930.db2.gz WQRJMYCFHFFAJM-UHFFFAOYSA-N 2 2 344.390 1.650 20 0 EDADLP CN(C(=O)c1cnn(C2CC2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625503207 450397996 /nfs/dbraw/zinc/39/79/96/450397996.db2.gz JBHDOOQANRYMMZ-KRWDZBQOSA-N 2 2 331.464 1.459 20 0 EDADLP CN(C(=O)c1cnn(C2CC2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625503207 450398000 /nfs/dbraw/zinc/39/80/00/450398000.db2.gz JBHDOOQANRYMMZ-KRWDZBQOSA-N 2 2 331.464 1.459 20 0 EDADLP COC[C@@H]1C[NH+](C/C=C/C[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000251714623 443017736 /nfs/dbraw/zinc/01/77/36/443017736.db2.gz KRTOBNNGLXEVGS-WTZILVGLSA-N 2 2 342.480 1.014 20 0 EDADLP COC[C@@H]1C[NH+](C/C=C/C[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000251714623 443017738 /nfs/dbraw/zinc/01/77/38/443017738.db2.gz KRTOBNNGLXEVGS-WTZILVGLSA-N 2 2 342.480 1.014 20 0 EDADLP COC[C@@H]1C[NH+](C/C=C/C[N@@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000251714623 443017740 /nfs/dbraw/zinc/01/77/40/443017740.db2.gz KRTOBNNGLXEVGS-WTZILVGLSA-N 2 2 342.480 1.014 20 0 EDADLP COC[C@@H]1C[NH+](C/C=C/C[N@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000251714623 443017743 /nfs/dbraw/zinc/01/77/43/443017743.db2.gz KRTOBNNGLXEVGS-WTZILVGLSA-N 2 2 342.480 1.014 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCc3ccncc3)CC2)CC1 ZINC000268547513 443029887 /nfs/dbraw/zinc/02/98/87/443029887.db2.gz FVCSOUKCZIWNDZ-UHFFFAOYSA-N 2 2 345.491 1.482 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088019 450398593 /nfs/dbraw/zinc/39/85/93/450398593.db2.gz SNXYHSBZYSLGAA-QUCCMNQESA-N 3 2 332.536 1.980 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088019 450398596 /nfs/dbraw/zinc/39/85/96/450398596.db2.gz SNXYHSBZYSLGAA-QUCCMNQESA-N 3 2 332.536 1.980 20 0 EDADLP CCN1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1=O ZINC000190205164 443070897 /nfs/dbraw/zinc/07/08/97/443070897.db2.gz QFNKLCYMOCZPDE-MRXNPFEDSA-N 2 2 344.459 1.568 20 0 EDADLP CCN1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1=O ZINC000190205164 443070898 /nfs/dbraw/zinc/07/08/98/443070898.db2.gz QFNKLCYMOCZPDE-MRXNPFEDSA-N 2 2 344.459 1.568 20 0 EDADLP O=S1(=O)CC[C@H](C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000297773504 318778523 /nfs/dbraw/zinc/77/85/23/318778523.db2.gz VUUFSYFLXSBDPH-OAHLLOKOSA-N 2 2 345.468 1.792 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268906685 443143061 /nfs/dbraw/zinc/14/30/61/443143061.db2.gz MAWRHOMCENKYPA-KSSFIOAISA-N 2 2 345.491 1.867 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268906685 443143065 /nfs/dbraw/zinc/14/30/65/443143065.db2.gz MAWRHOMCENKYPA-KSSFIOAISA-N 2 2 345.491 1.867 20 0 EDADLP COCc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000268765607 443102239 /nfs/dbraw/zinc/10/22/39/443102239.db2.gz BQKYUWZSDUIMHE-KRWDZBQOSA-N 2 2 330.428 1.935 20 0 EDADLP COCc1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)o1 ZINC000268765607 443102242 /nfs/dbraw/zinc/10/22/42/443102242.db2.gz BQKYUWZSDUIMHE-KRWDZBQOSA-N 2 2 330.428 1.935 20 0 EDADLP CCc1nnc(C2CC[NH+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)[nH]1 ZINC000190684156 443164332 /nfs/dbraw/zinc/16/43/32/443164332.db2.gz PPOQVFDMOBIBHH-AWEZNQCLSA-N 2 2 348.495 1.099 20 0 EDADLP CCc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)CC2)n1 ZINC000190684156 443164337 /nfs/dbraw/zinc/16/43/37/443164337.db2.gz PPOQVFDMOBIBHH-AWEZNQCLSA-N 2 2 348.495 1.099 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000237221519 443164388 /nfs/dbraw/zinc/16/43/88/443164388.db2.gz DRFGKNBXIDLOGJ-SECBINFHSA-N 2 2 325.210 1.569 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCC[NH+](C)C)c[nH+]2)CCO1 ZINC000185330802 443184380 /nfs/dbraw/zinc/18/43/80/443184380.db2.gz FWQUOVPDTVDVHZ-OAHLLOKOSA-N 2 2 349.479 1.400 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cnn(C)c1 ZINC000269081806 443192959 /nfs/dbraw/zinc/19/29/59/443192959.db2.gz ZWSRVUCAMCMRRP-SNRMKQJTSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cnn(C)c1 ZINC000269081806 443192964 /nfs/dbraw/zinc/19/29/64/443192964.db2.gz ZWSRVUCAMCMRRP-SNRMKQJTSA-N 2 2 328.460 1.954 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CCCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261636491 443161865 /nfs/dbraw/zinc/16/18/65/443161865.db2.gz CVWCAFIABDWSTE-HZPDHXFCSA-N 2 2 346.475 1.800 20 0 EDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237163035 443162476 /nfs/dbraw/zinc/16/24/76/443162476.db2.gz KQLNRJKWNUSCEF-IBGZPJMESA-N 2 2 344.503 1.263 20 0 EDADLP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262992647 443222157 /nfs/dbraw/zinc/22/21/57/443222157.db2.gz NWGMPORWRUPDIG-HNNXBMFYSA-N 2 2 339.386 1.132 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000245415050 443224801 /nfs/dbraw/zinc/22/48/01/443224801.db2.gz CWXXWRJYHKQOEW-RCCFBDPRSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000245415050 443224802 /nfs/dbraw/zinc/22/48/02/443224802.db2.gz CWXXWRJYHKQOEW-RCCFBDPRSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000245415050 443224803 /nfs/dbraw/zinc/22/48/03/443224803.db2.gz CWXXWRJYHKQOEW-RCCFBDPRSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000245415050 443224805 /nfs/dbraw/zinc/22/48/05/443224805.db2.gz CWXXWRJYHKQOEW-RCCFBDPRSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000262670126 443207386 /nfs/dbraw/zinc/20/73/86/443207386.db2.gz RFKYCUDTZFHGMO-LJQANCHMSA-N 3 2 344.503 1.670 20 0 EDADLP CS(=O)(=O)c1ccc([C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266703054 443213313 /nfs/dbraw/zinc/21/33/13/443213313.db2.gz DESZWXHFIXZTCI-MRXNPFEDSA-N 2 2 349.456 1.726 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000382735666 319124823 /nfs/dbraw/zinc/12/48/23/319124823.db2.gz KAWRRDYYAWIFJZ-WDSOQIARSA-N 2 2 336.476 1.653 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000382735666 319124824 /nfs/dbraw/zinc/12/48/24/319124824.db2.gz KAWRRDYYAWIFJZ-WDSOQIARSA-N 2 2 336.476 1.653 20 0 EDADLP CCOCCONC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000185755491 443251497 /nfs/dbraw/zinc/25/14/97/443251497.db2.gz SPANYWJEPBKRTI-UHFFFAOYSA-N 2 2 342.484 1.204 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000413046088 319260006 /nfs/dbraw/zinc/26/00/06/319260006.db2.gz ZFCBVWAOVJWOLU-GJZGRUSLSA-N 2 2 333.480 1.968 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000413046088 319260007 /nfs/dbraw/zinc/26/00/07/319260007.db2.gz ZFCBVWAOVJWOLU-GJZGRUSLSA-N 2 2 333.480 1.968 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000413966042 319307210 /nfs/dbraw/zinc/30/72/10/319307210.db2.gz KAMLRKAQQHBZAK-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP CCC(CC)[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)N1CCOCC1 ZINC000414274498 319323916 /nfs/dbraw/zinc/32/39/16/319323916.db2.gz QEQHKOAQBORVNP-QGZVFWFLSA-N 2 2 337.512 1.713 20 0 EDADLP CO[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000191361335 443284515 /nfs/dbraw/zinc/28/45/15/443284515.db2.gz RBDFYXXLRITILY-WBVHZDCISA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H](c1cccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c1)[NH+]1CCOCC1 ZINC000269276502 443263225 /nfs/dbraw/zinc/26/32/25/443263225.db2.gz XLVUJMJNHBSOFJ-WMLDXEAASA-N 2 2 333.432 1.397 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416863118 319468184 /nfs/dbraw/zinc/46/81/84/319468184.db2.gz MTTOYWSKOGFVIQ-QAPCUYQASA-N 2 2 346.475 1.445 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416923721 319475799 /nfs/dbraw/zinc/47/57/99/319475799.db2.gz WLKRNTNEEIPVII-DOMZBBRYSA-N 2 2 333.411 1.803 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000417272724 319489319 /nfs/dbraw/zinc/48/93/19/319489319.db2.gz VWDDSDACRRZHCU-GDBMZVCRSA-N 2 2 327.432 1.999 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc3cnccc32)CC1 ZINC000267193132 443372530 /nfs/dbraw/zinc/37/25/30/443372530.db2.gz BWARVCLNWBJDSS-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000278586062 443369361 /nfs/dbraw/zinc/36/93/61/443369361.db2.gz JZKXTRIRFXZWOC-UHFFFAOYSA-N 2 2 342.447 1.831 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278718623 443412946 /nfs/dbraw/zinc/41/29/46/443412946.db2.gz VVBPMDSDGJHWAF-OAHLLOKOSA-N 2 2 344.459 1.962 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278718623 443412952 /nfs/dbraw/zinc/41/29/52/443412952.db2.gz VVBPMDSDGJHWAF-OAHLLOKOSA-N 2 2 344.459 1.962 20 0 EDADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)nn1 ZINC000282650335 443399569 /nfs/dbraw/zinc/39/95/69/443399569.db2.gz CIAGGWNUGMEEGI-UHFFFAOYSA-N 2 2 330.436 1.278 20 0 EDADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)nn1 ZINC000282650335 443399573 /nfs/dbraw/zinc/39/95/73/443399573.db2.gz CIAGGWNUGMEEGI-UHFFFAOYSA-N 2 2 330.436 1.278 20 0 EDADLP CCc1ccccc1OCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267283845 443404850 /nfs/dbraw/zinc/40/48/50/443404850.db2.gz SYGSFONUGHJRKW-UHFFFAOYSA-N 2 2 333.476 1.770 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000267292764 443408088 /nfs/dbraw/zinc/40/80/88/443408088.db2.gz CNSDKHXMCNSTAB-INIZCTEOSA-N 2 2 330.436 1.961 20 0 EDADLP COC(=O)CCNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278883778 443472683 /nfs/dbraw/zinc/47/26/83/443472683.db2.gz NLGRFEFRVPBBDG-UHFFFAOYSA-N 2 2 348.447 1.078 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000272985010 443510685 /nfs/dbraw/zinc/51/06/85/443510685.db2.gz DQSSTESHQKSBFN-LSDHHAIUSA-N 2 2 334.439 1.062 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000279294345 443552155 /nfs/dbraw/zinc/55/21/55/443552155.db2.gz YPAJIXKSQDXCCB-UHFFFAOYSA-N 2 2 345.487 1.878 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000276157111 443657188 /nfs/dbraw/zinc/65/71/88/443657188.db2.gz FWAVBNVMQYXSQL-SJORKVTESA-N 2 2 326.444 1.735 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000449386240 320186356 /nfs/dbraw/zinc/18/63/56/320186356.db2.gz HUYJEKMAABVSMY-GOSISDBHSA-N 2 2 333.476 1.460 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000449386240 320186357 /nfs/dbraw/zinc/18/63/57/320186357.db2.gz HUYJEKMAABVSMY-GOSISDBHSA-N 2 2 333.476 1.460 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000449395030 320188290 /nfs/dbraw/zinc/18/82/90/320188290.db2.gz PCFWPBUSMVRRJZ-LJQANCHMSA-N 2 2 332.492 1.482 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000449395030 320188292 /nfs/dbraw/zinc/18/82/92/320188292.db2.gz PCFWPBUSMVRRJZ-LJQANCHMSA-N 2 2 332.492 1.482 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000449399159 320189147 /nfs/dbraw/zinc/18/91/47/320189147.db2.gz YBZSUDRWIWQNBE-MRXNPFEDSA-N 2 2 349.866 1.857 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000449399159 320189148 /nfs/dbraw/zinc/18/91/48/320189148.db2.gz YBZSUDRWIWQNBE-MRXNPFEDSA-N 2 2 349.866 1.857 20 0 EDADLP C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000461228621 320352226 /nfs/dbraw/zinc/35/22/26/320352226.db2.gz WWZWBURNFNQRCW-DZJNRPSUSA-N 2 2 346.475 1.402 20 0 EDADLP C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000461228621 320352227 /nfs/dbraw/zinc/35/22/27/320352227.db2.gz WWZWBURNFNQRCW-DZJNRPSUSA-N 2 2 346.475 1.402 20 0 EDADLP C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000488408440 320358484 /nfs/dbraw/zinc/35/84/84/320358484.db2.gz FRPJTWHVPIPYQR-GOEBONIOSA-N 2 2 337.489 1.368 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)C1 ZINC000492892240 320390130 /nfs/dbraw/zinc/39/01/30/320390130.db2.gz GPHKIKKLNWLLGP-GIFJBRJJSA-N 2 2 331.460 1.516 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)C1 ZINC000492892240 320390131 /nfs/dbraw/zinc/39/01/31/320390131.db2.gz GPHKIKKLNWLLGP-GIFJBRJJSA-N 2 2 331.460 1.516 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000493667134 320397097 /nfs/dbraw/zinc/39/70/97/320397097.db2.gz YKLUAVWSUCJMGF-YFCVBGDOSA-N 2 2 332.354 1.999 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000280234563 443679949 /nfs/dbraw/zinc/67/99/49/443679949.db2.gz MFDWXCLNAGGPNW-JKSUJKDBSA-N 2 2 329.448 1.136 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000280234563 443679950 /nfs/dbraw/zinc/67/99/50/443679950.db2.gz MFDWXCLNAGGPNW-JKSUJKDBSA-N 2 2 329.448 1.136 20 0 EDADLP C[NH+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000280234563 443679951 /nfs/dbraw/zinc/67/99/51/443679951.db2.gz MFDWXCLNAGGPNW-JKSUJKDBSA-N 2 2 329.448 1.136 20 0 EDADLP C[NH+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000280234563 443679952 /nfs/dbraw/zinc/67/99/52/443679952.db2.gz MFDWXCLNAGGPNW-JKSUJKDBSA-N 2 2 329.448 1.136 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)on1 ZINC000516964758 320444124 /nfs/dbraw/zinc/44/41/24/320444124.db2.gz JWZUKJOQQLQDKS-GFCCVEGCSA-N 2 2 344.419 1.447 20 0 EDADLP COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000519594611 320468048 /nfs/dbraw/zinc/46/80/48/320468048.db2.gz IDNSUUZHJYSOPB-GOSISDBHSA-N 2 2 335.448 1.206 20 0 EDADLP COCc1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000298223333 443724140 /nfs/dbraw/zinc/72/41/40/443724140.db2.gz APMOQHJUCBHGOK-UHFFFAOYSA-N 2 2 344.459 1.728 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000298491443 443783251 /nfs/dbraw/zinc/78/32/51/443783251.db2.gz MHAXUEOBRZDLOX-GOSISDBHSA-N 2 2 331.460 1.488 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000298491443 443783253 /nfs/dbraw/zinc/78/32/53/443783253.db2.gz MHAXUEOBRZDLOX-GOSISDBHSA-N 2 2 331.460 1.488 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000298491443 443783255 /nfs/dbraw/zinc/78/32/55/443783255.db2.gz MHAXUEOBRZDLOX-GOSISDBHSA-N 2 2 331.460 1.488 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000298491443 443783257 /nfs/dbraw/zinc/78/32/57/443783257.db2.gz MHAXUEOBRZDLOX-GOSISDBHSA-N 2 2 331.460 1.488 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nn1 ZINC000284090163 443764855 /nfs/dbraw/zinc/76/48/55/443764855.db2.gz RNHVXRNMCMLOTC-GDBMZVCRSA-N 2 2 343.431 1.317 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nn1 ZINC000284090163 443764859 /nfs/dbraw/zinc/76/48/59/443764859.db2.gz RNHVXRNMCMLOTC-GDBMZVCRSA-N 2 2 343.431 1.317 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292179688 443781376 /nfs/dbraw/zinc/78/13/76/443781376.db2.gz QMTNPNSXKNIXBJ-ACJLOTCBSA-N 2 2 331.416 1.770 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292179688 443781380 /nfs/dbraw/zinc/78/13/80/443781380.db2.gz QMTNPNSXKNIXBJ-ACJLOTCBSA-N 2 2 331.416 1.770 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292179688 443781384 /nfs/dbraw/zinc/78/13/84/443781384.db2.gz QMTNPNSXKNIXBJ-ACJLOTCBSA-N 2 2 331.416 1.770 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292179688 443781389 /nfs/dbraw/zinc/78/13/89/443781389.db2.gz QMTNPNSXKNIXBJ-ACJLOTCBSA-N 2 2 331.416 1.770 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000298676126 443835143 /nfs/dbraw/zinc/83/51/43/443835143.db2.gz MKUKBOWPXTXJQJ-OAHLLOKOSA-N 2 2 332.448 1.591 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000298676126 443835146 /nfs/dbraw/zinc/83/51/46/443835146.db2.gz MKUKBOWPXTXJQJ-OAHLLOKOSA-N 2 2 332.448 1.591 20 0 EDADLP CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000281178146 443840098 /nfs/dbraw/zinc/84/00/98/443840098.db2.gz QSEXDIYJAAQKQP-BEFAXECRSA-N 2 2 344.459 1.472 20 0 EDADLP CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000281178146 443840101 /nfs/dbraw/zinc/84/01/01/443840101.db2.gz QSEXDIYJAAQKQP-BEFAXECRSA-N 2 2 344.459 1.472 20 0 EDADLP C[NH+]1CCN(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000298859426 443886548 /nfs/dbraw/zinc/88/65/48/443886548.db2.gz FAXNBKWQZYLDNR-UHFFFAOYSA-N 2 2 332.448 1.341 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2cnccc2c1 ZINC000281397534 443900687 /nfs/dbraw/zinc/90/06/87/443900687.db2.gz XFBQMGHDKPCXGP-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2cnccc2c1 ZINC000281397534 443900690 /nfs/dbraw/zinc/90/06/90/443900690.db2.gz XFBQMGHDKPCXGP-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)Cn3cc[nH+]c3C)CC2)cc1 ZINC000298744245 443856573 /nfs/dbraw/zinc/85/65/73/443856573.db2.gz RGUBUIYAIWWECY-UHFFFAOYSA-N 2 2 342.443 1.935 20 0 EDADLP C[C@H](O)C[C@@H]1COCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285116211 443862298 /nfs/dbraw/zinc/86/22/98/443862298.db2.gz AFGLUICTTQICAW-AZUAARDMSA-N 2 2 347.503 1.670 20 0 EDADLP C[C@H](O)C[C@@H]1COCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285116211 443862301 /nfs/dbraw/zinc/86/23/01/443862301.db2.gz AFGLUICTTQICAW-AZUAARDMSA-N 2 2 347.503 1.670 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285482332 444000802 /nfs/dbraw/zinc/00/08/02/444000802.db2.gz BQDYJUALODMOFX-CQSZACIVSA-N 2 2 338.452 1.656 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285482332 444000807 /nfs/dbraw/zinc/00/08/07/444000807.db2.gz BQDYJUALODMOFX-CQSZACIVSA-N 2 2 338.452 1.656 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285482332 444000809 /nfs/dbraw/zinc/00/08/09/444000809.db2.gz BQDYJUALODMOFX-CQSZACIVSA-N 2 2 338.452 1.656 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285482332 444000812 /nfs/dbraw/zinc/00/08/12/444000812.db2.gz BQDYJUALODMOFX-CQSZACIVSA-N 2 2 338.452 1.656 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285613783 444048294 /nfs/dbraw/zinc/04/82/94/444048294.db2.gz TZGRTXDFABZWCD-UHFFFAOYSA-N 2 2 345.447 1.107 20 0 EDADLP CCOC(=O)c1n[nH]c(C2CC[NH+](CCn3cc[nH+]c3C)CC2)n1 ZINC000277671446 444024926 /nfs/dbraw/zinc/02/49/26/444024926.db2.gz ADQAOPJBKBYXLI-UHFFFAOYSA-N 2 2 332.408 1.366 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[C@@H]1[NH+](C)C ZINC000554542778 320953453 /nfs/dbraw/zinc/95/34/53/320953453.db2.gz PJCDAMQSCABZRN-ZFWWWQNUSA-N 2 2 328.420 1.740 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000555463421 320966988 /nfs/dbraw/zinc/96/69/88/320966988.db2.gz PHXHVJYLQPPXAA-UHFFFAOYSA-N 2 2 341.415 1.406 20 0 EDADLP c1[nH]nc2c1C[N@H+](CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000285681249 444071463 /nfs/dbraw/zinc/07/14/63/444071463.db2.gz QOYASZNRLFIVFL-UHFFFAOYSA-N 2 2 325.460 1.980 20 0 EDADLP c1[nH]nc2c1C[N@@H+](CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000285681249 444071465 /nfs/dbraw/zinc/07/14/65/444071465.db2.gz QOYASZNRLFIVFL-UHFFFAOYSA-N 2 2 325.460 1.980 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000562992221 321086355 /nfs/dbraw/zinc/08/63/55/321086355.db2.gz SYGSQTPENFAKNY-OLMNPRSZSA-N 2 2 334.460 1.645 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000562992221 321086356 /nfs/dbraw/zinc/08/63/56/321086356.db2.gz SYGSQTPENFAKNY-OLMNPRSZSA-N 2 2 334.460 1.645 20 0 EDADLP C[NH+]1CCO[C@@H](CSCCCSC[C@H]2C[N@H+](C)CCO2)C1 ZINC000563714108 321113172 /nfs/dbraw/zinc/11/31/72/321113172.db2.gz LWCAZULSHNNEHP-HUUCEWRRSA-N 2 2 334.551 1.504 20 0 EDADLP C[NH+]1CCO[C@@H](CSCCCSC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000563714108 321113173 /nfs/dbraw/zinc/11/31/73/321113173.db2.gz LWCAZULSHNNEHP-HUUCEWRRSA-N 2 2 334.551 1.504 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000564477612 321134573 /nfs/dbraw/zinc/13/45/73/321134573.db2.gz NHYDGEYBRZRFJX-HZPDHXFCSA-N 2 2 339.443 1.690 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000564477612 321134575 /nfs/dbraw/zinc/13/45/75/321134575.db2.gz NHYDGEYBRZRFJX-HZPDHXFCSA-N 2 2 339.443 1.690 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000564477612 321134576 /nfs/dbraw/zinc/13/45/76/321134576.db2.gz NHYDGEYBRZRFJX-HZPDHXFCSA-N 2 2 339.443 1.690 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000564477612 321134578 /nfs/dbraw/zinc/13/45/78/321134578.db2.gz NHYDGEYBRZRFJX-HZPDHXFCSA-N 2 2 339.443 1.690 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCCN(C)C3=O)c2cc1C ZINC000565358414 321182782 /nfs/dbraw/zinc/18/27/82/321182782.db2.gz YWLUGPUCLWJIKQ-LSDHHAIUSA-N 2 2 330.432 1.224 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000565610026 321194217 /nfs/dbraw/zinc/19/42/17/321194217.db2.gz YBJSKRWWJFPVMQ-WMZOPIPTSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000565610026 321194219 /nfs/dbraw/zinc/19/42/19/321194219.db2.gz YBJSKRWWJFPVMQ-WMZOPIPTSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566431843 321230549 /nfs/dbraw/zinc/23/05/49/321230549.db2.gz QBXSCFCJFMVHGM-YJBOKZPZSA-N 2 2 342.443 1.606 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566431843 321230550 /nfs/dbraw/zinc/23/05/50/321230550.db2.gz QBXSCFCJFMVHGM-YJBOKZPZSA-N 2 2 342.443 1.606 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484683 321244238 /nfs/dbraw/zinc/24/42/38/321244238.db2.gz WUJIHKYQQSTJMR-ZIAGYGMSSA-N 2 2 338.414 1.980 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484683 321244239 /nfs/dbraw/zinc/24/42/39/321244239.db2.gz WUJIHKYQQSTJMR-ZIAGYGMSSA-N 2 2 338.414 1.980 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484683 321244240 /nfs/dbraw/zinc/24/42/40/321244240.db2.gz WUJIHKYQQSTJMR-ZIAGYGMSSA-N 2 2 338.414 1.980 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484683 321244241 /nfs/dbraw/zinc/24/42/41/321244241.db2.gz WUJIHKYQQSTJMR-ZIAGYGMSSA-N 2 2 338.414 1.980 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccc(F)cc2F)C[C@H](C)O1 ZINC000567692388 321253131 /nfs/dbraw/zinc/25/31/31/321253131.db2.gz SANHHMRWPGASJW-DVOMOZLQSA-N 2 2 328.403 1.567 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccc(F)cc2F)C[C@H](C)O1 ZINC000567692388 321253133 /nfs/dbraw/zinc/25/31/33/321253133.db2.gz SANHHMRWPGASJW-DVOMOZLQSA-N 2 2 328.403 1.567 20 0 EDADLP C[NH+](C)CCCOc1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000289280242 444095558 /nfs/dbraw/zinc/09/55/58/444095558.db2.gz XTQCWFMSJOKBDZ-UHFFFAOYSA-N 2 2 330.432 1.989 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000567892023 321266229 /nfs/dbraw/zinc/26/62/29/321266229.db2.gz NGWJINGHSXVZEJ-NSHDSACASA-N 2 2 346.258 1.864 20 0 EDADLP C[N@H+]1CCN(C(=O)CCOc2cccc(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000567892023 321266231 /nfs/dbraw/zinc/26/62/31/321266231.db2.gz NGWJINGHSXVZEJ-NSHDSACASA-N 2 2 346.258 1.864 20 0 EDADLP CC(C)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[NH+]1CCOCC1 ZINC000569921908 321331710 /nfs/dbraw/zinc/33/17/10/321331710.db2.gz MUOPLIOAXYGGQA-KFWWJZLASA-N 2 2 335.452 1.545 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569998844 321333931 /nfs/dbraw/zinc/33/39/31/321333931.db2.gz WXPISZYQHUIYPD-HIFRSBDPSA-N 2 2 341.415 1.358 20 0 EDADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(F)cn1 ZINC000285854834 444130036 /nfs/dbraw/zinc/13/00/36/444130036.db2.gz ZHZISYMQPIXAQB-OHRKKDJYSA-N 2 2 334.439 1.955 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000572586241 321432826 /nfs/dbraw/zinc/43/28/26/321432826.db2.gz BPCUSTMXZYFVGZ-VNQPRFMTSA-N 2 2 349.479 1.718 20 0 EDADLP Cc1cnccc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000294809257 444145005 /nfs/dbraw/zinc/14/50/05/444145005.db2.gz LYWNVNBXJZBTLW-IBGZPJMESA-N 2 2 332.492 1.617 20 0 EDADLP Cc1cnccc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000294809257 444145008 /nfs/dbraw/zinc/14/50/08/444145008.db2.gz LYWNVNBXJZBTLW-IBGZPJMESA-N 2 2 332.492 1.617 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000301316160 444163025 /nfs/dbraw/zinc/16/30/25/444163025.db2.gz NFXLVXXWRRMTOT-ZDUSSCGKSA-N 2 2 346.435 1.532 20 0 EDADLP COC(=O)Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000301316160 444163030 /nfs/dbraw/zinc/16/30/30/444163030.db2.gz NFXLVXXWRRMTOT-ZDUSSCGKSA-N 2 2 346.435 1.532 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000289559720 444172001 /nfs/dbraw/zinc/17/20/01/444172001.db2.gz GUEQPVKWOOBFEP-KRWDZBQOSA-N 2 2 341.459 1.675 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000285977785 444167607 /nfs/dbraw/zinc/16/76/07/444167607.db2.gz MRVHTBQJKVSHAN-KBPBESRZSA-N 2 2 335.452 1.310 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000285977785 444167610 /nfs/dbraw/zinc/16/76/10/444167610.db2.gz MRVHTBQJKVSHAN-KBPBESRZSA-N 2 2 335.452 1.310 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)[C@H]2C)CC1 ZINC000296220580 444213197 /nfs/dbraw/zinc/21/31/97/444213197.db2.gz MTIBELNBIVVDRZ-IEBWSBKVSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)[C@H]2C)CC1 ZINC000296220580 444213198 /nfs/dbraw/zinc/21/31/98/444213198.db2.gz MTIBELNBIVVDRZ-IEBWSBKVSA-N 2 2 345.487 1.484 20 0 EDADLP C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000574981332 321509717 /nfs/dbraw/zinc/50/97/17/321509717.db2.gz XLFRAFSQYBEVBQ-OLZOCXBDSA-N 2 2 331.507 1.489 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000289896793 444216477 /nfs/dbraw/zinc/21/64/77/444216477.db2.gz IUYRUJIKSQOIKQ-ROUUACIJSA-N 2 2 331.460 1.523 20 0 EDADLP COCCc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000289916750 444219130 /nfs/dbraw/zinc/21/91/30/444219130.db2.gz OHXYGRFUQQFGMM-CQSZACIVSA-N 2 2 331.420 1.896 20 0 EDADLP COCCc1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000289916750 444219133 /nfs/dbraw/zinc/21/91/33/444219133.db2.gz OHXYGRFUQQFGMM-CQSZACIVSA-N 2 2 331.420 1.896 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@@H+](C2CC2)C1 ZINC000295360745 444180504 /nfs/dbraw/zinc/18/05/04/444180504.db2.gz NZUPXEGWCCCQHE-AWEZNQCLSA-N 2 2 325.416 1.824 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@H+](C2CC2)C1 ZINC000295360745 444180507 /nfs/dbraw/zinc/18/05/07/444180507.db2.gz NZUPXEGWCCCQHE-AWEZNQCLSA-N 2 2 325.416 1.824 20 0 EDADLP O=C(C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000575914170 321534118 /nfs/dbraw/zinc/53/41/18/321534118.db2.gz LWMHNUFBYXIAIH-KDOFPFPSSA-N 2 2 345.447 1.065 20 0 EDADLP Cc1nc(NCC[NH+]2CCN(c3ncccn3)CC2)c(C)c(C)[nH+]1 ZINC000301695638 444185679 /nfs/dbraw/zinc/18/56/79/444185679.db2.gz PLGWCEWMRZJLNX-UHFFFAOYSA-N 2 2 327.436 1.426 20 0 EDADLP Cc1nc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c(C)c(C)[nH+]1 ZINC000301698161 444186152 /nfs/dbraw/zinc/18/61/52/444186152.db2.gz QUXVXDPXIQWTGF-UHFFFAOYSA-N 2 2 327.436 1.584 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289682343 444190122 /nfs/dbraw/zinc/19/01/22/444190122.db2.gz JQZSSQLHMHXVEP-BLLLJJGKSA-N 2 2 334.445 1.586 20 0 EDADLP CN(C)c1cc[nH+]c(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000301792052 444190405 /nfs/dbraw/zinc/19/04/05/444190405.db2.gz WXVDTDNFFUBODU-UHFFFAOYSA-N 2 2 340.475 1.801 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000290227148 444256840 /nfs/dbraw/zinc/25/68/40/444256840.db2.gz RJWQDHUYDHAFRU-KYJSFNMBSA-N 2 2 346.475 1.557 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000290358400 444271275 /nfs/dbraw/zinc/27/12/75/444271275.db2.gz LIHSINPQULWDQV-HOTGVXAUSA-N 2 2 327.432 1.950 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](Nc1cc(N3CCSCC3)nc[nH+]1)C2 ZINC000302912071 444231003 /nfs/dbraw/zinc/23/10/03/444231003.db2.gz TWFVRKQUZYIVHV-CYBMUJFWSA-N 2 2 330.461 1.962 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](Nc1cc(N3CCSCC3)[nH+]cn1)C2 ZINC000302912071 444231006 /nfs/dbraw/zinc/23/10/06/444231006.db2.gz TWFVRKQUZYIVHV-CYBMUJFWSA-N 2 2 330.461 1.962 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000303115219 444234527 /nfs/dbraw/zinc/23/45/27/444234527.db2.gz RKUKOQXTXBBJPT-HKUYNNGSSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000303115219 444234529 /nfs/dbraw/zinc/23/45/29/444234529.db2.gz RKUKOQXTXBBJPT-HKUYNNGSSA-N 2 2 348.487 1.920 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000290635383 444304232 /nfs/dbraw/zinc/30/42/32/444304232.db2.gz HNJBQSIGENZHLJ-OAHLLOKOSA-N 2 2 349.479 1.446 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000290635383 444304234 /nfs/dbraw/zinc/30/42/34/444304234.db2.gz HNJBQSIGENZHLJ-OAHLLOKOSA-N 2 2 349.479 1.446 20 0 EDADLP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000317353304 444315580 /nfs/dbraw/zinc/31/55/80/444315580.db2.gz HUVRNUIUVXNWLK-KGLIPLIRSA-N 2 2 325.478 1.611 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(C)(C)n1cncn1 ZINC000290746449 444318269 /nfs/dbraw/zinc/31/82/69/444318269.db2.gz QLQNRUHFSBVJHO-HLLBOEOZSA-N 2 2 345.495 1.808 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(C)(C)n1cncn1 ZINC000290746449 444318271 /nfs/dbraw/zinc/31/82/71/444318271.db2.gz QLQNRUHFSBVJHO-HLLBOEOZSA-N 2 2 345.495 1.808 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000318864529 444321521 /nfs/dbraw/zinc/32/15/21/444321521.db2.gz JAYUOYJAXNHTTC-UKRRQHHQSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+]1C ZINC000318864529 444321522 /nfs/dbraw/zinc/32/15/22/444321522.db2.gz JAYUOYJAXNHTTC-UKRRQHHQSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1O ZINC000305758771 444278183 /nfs/dbraw/zinc/27/81/83/444278183.db2.gz HCSMFSHHKKVEMX-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1O ZINC000305758771 444278185 /nfs/dbraw/zinc/27/81/85/444278185.db2.gz HCSMFSHHKKVEMX-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290583579 444298207 /nfs/dbraw/zinc/29/82/07/444298207.db2.gz GBXMVDVIDMTMBJ-HIFRSBDPSA-N 2 2 329.404 1.661 20 0 EDADLP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000322173766 444339176 /nfs/dbraw/zinc/33/91/76/444339176.db2.gz DGRSKGWKVKBNKK-CQSZACIVSA-N 2 2 340.489 1.981 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)C2)CC1 ZINC000328797924 444355919 /nfs/dbraw/zinc/35/59/19/444355919.db2.gz WFPIMBPVRNTZJE-DLBZAZTESA-N 2 2 345.491 1.606 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)CC1 ZINC000328797924 444355923 /nfs/dbraw/zinc/35/59/23/444355923.db2.gz WFPIMBPVRNTZJE-DLBZAZTESA-N 2 2 345.491 1.606 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]CCc3nnnn3-c3ccccc3)n2c1 ZINC000337825716 444425300 /nfs/dbraw/zinc/42/53/00/444425300.db2.gz STJYNCYKKHPXPL-UHFFFAOYSA-N 2 2 333.399 1.951 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)C1 ZINC000328699490 444434045 /nfs/dbraw/zinc/43/40/45/444434045.db2.gz MGWCEOGQCXMWHF-MAUKXSAKSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)C1 ZINC000328699490 444434048 /nfs/dbraw/zinc/43/40/48/444434048.db2.gz MGWCEOGQCXMWHF-MAUKXSAKSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)C2)C1 ZINC000328699490 444434050 /nfs/dbraw/zinc/43/40/50/444434050.db2.gz MGWCEOGQCXMWHF-MAUKXSAKSA-N 2 2 331.464 1.360 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000329149944 444484825 /nfs/dbraw/zinc/48/48/25/444484825.db2.gz RCBIMNFDKWTFDV-HNNXBMFYSA-N 2 2 334.464 1.920 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000338028427 444491021 /nfs/dbraw/zinc/49/10/21/444491021.db2.gz KJCDCTXTFABSSS-UHFFFAOYSA-N 2 2 349.500 1.297 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000580553591 322066240 /nfs/dbraw/zinc/06/62/40/322066240.db2.gz ASCFIOXQIZVLGP-ZQIUZPCESA-N 2 2 331.460 1.397 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000580553591 322066243 /nfs/dbraw/zinc/06/62/43/322066243.db2.gz ASCFIOXQIZVLGP-ZQIUZPCESA-N 2 2 331.460 1.397 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000580554277 322066357 /nfs/dbraw/zinc/06/63/57/322066357.db2.gz SVKGEEBPYDSQRH-WSTZPKSXSA-N 2 2 347.503 1.277 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000580554277 322066359 /nfs/dbraw/zinc/06/63/59/322066359.db2.gz SVKGEEBPYDSQRH-WSTZPKSXSA-N 2 2 347.503 1.277 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000580709884 322085277 /nfs/dbraw/zinc/08/52/77/322085277.db2.gz PLYKXYCRPXWABD-UKRRQHHQSA-N 2 2 344.415 1.186 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000580946168 322115357 /nfs/dbraw/zinc/11/53/57/322115357.db2.gz FGVZQSKVLAHXNK-LZQZEXGQSA-N 3 2 344.503 1.472 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000580946168 322115359 /nfs/dbraw/zinc/11/53/59/322115359.db2.gz FGVZQSKVLAHXNK-LZQZEXGQSA-N 3 2 344.503 1.472 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)n12 ZINC000581251697 322155499 /nfs/dbraw/zinc/15/54/99/322155499.db2.gz FHGHKQQLYDEUIV-QWHCGFSZSA-N 2 2 340.431 1.059 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)n12 ZINC000581251697 322155501 /nfs/dbraw/zinc/15/55/01/322155501.db2.gz FHGHKQQLYDEUIV-QWHCGFSZSA-N 2 2 340.431 1.059 20 0 EDADLP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000581425038 322175848 /nfs/dbraw/zinc/17/58/48/322175848.db2.gz UFOJYWGPZHWIHE-IAGOWNOFSA-N 2 2 335.492 1.385 20 0 EDADLP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000581425038 322175849 /nfs/dbraw/zinc/17/58/49/322175849.db2.gz UFOJYWGPZHWIHE-IAGOWNOFSA-N 2 2 335.492 1.385 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@@H+]1C ZINC000332800751 444557520 /nfs/dbraw/zinc/55/75/20/444557520.db2.gz WRLYNWGMQSFTEO-KBMXLJTQSA-N 2 2 349.479 1.670 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@H+]1C ZINC000332800751 444557524 /nfs/dbraw/zinc/55/75/24/444557524.db2.gz WRLYNWGMQSFTEO-KBMXLJTQSA-N 2 2 349.479 1.670 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000341013701 444631971 /nfs/dbraw/zinc/63/19/71/444631971.db2.gz PONKHIDFAXDBSO-HZPDHXFCSA-N 2 2 337.489 1.095 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000341013701 444631977 /nfs/dbraw/zinc/63/19/77/444631977.db2.gz PONKHIDFAXDBSO-HZPDHXFCSA-N 2 2 337.489 1.095 20 0 EDADLP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000343799268 444599348 /nfs/dbraw/zinc/59/93/48/444599348.db2.gz GFWXOQIFUTXHPB-MJGOQNOKSA-N 2 2 347.503 1.827 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332953513 444608826 /nfs/dbraw/zinc/60/88/26/444608826.db2.gz FFGHRGKUFBDVGO-HUUCEWRRSA-N 2 2 334.468 1.282 20 0 EDADLP 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C[C@@H]1C[C@H](Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[N@H+]1C1CC1 ZINC000329739252 444698073 /nfs/dbraw/zinc/69/80/73/444698073.db2.gz USXGKXLCHDDBQQ-IJEWVQPXSA-N 2 2 331.464 1.865 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000336869664 444813141 /nfs/dbraw/zinc/81/31/41/444813141.db2.gz DHWYSJGUKAOWSH-GJZGRUSLSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1C ZINC000336869664 444813144 /nfs/dbraw/zinc/81/31/44/444813144.db2.gz DHWYSJGUKAOWSH-GJZGRUSLSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[NH+]1C ZINC000336869664 444813147 /nfs/dbraw/zinc/81/31/47/444813147.db2.gz DHWYSJGUKAOWSH-GJZGRUSLSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[NH+]1C ZINC000336869664 444813149 /nfs/dbraw/zinc/81/31/49/444813149.db2.gz DHWYSJGUKAOWSH-GJZGRUSLSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H](C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)CS(C)(=O)=O 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COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C(C)C)C2)CC1 ZINC000342772744 444860523 /nfs/dbraw/zinc/86/05/23/444860523.db2.gz BGFCJRQEDRDOLT-HNNXBMFYSA-N 2 2 325.453 1.003 20 0 EDADLP COc1cc(OC)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000342784064 444865769 /nfs/dbraw/zinc/86/57/69/444865769.db2.gz QNWOOMURUMKQAG-YIONKMFJSA-N 2 2 347.463 1.241 20 0 EDADLP COc1cc(OC)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000342784064 444865773 /nfs/dbraw/zinc/86/57/73/444865773.db2.gz QNWOOMURUMKQAG-YIONKMFJSA-N 2 2 347.463 1.241 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000341592835 444912238 /nfs/dbraw/zinc/91/22/38/444912238.db2.gz NSBBDXJGIOLBKK-WMZOPIPTSA-N 2 2 333.476 1.434 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)NCCc2ccccc2)C1 ZINC000341592835 444912240 /nfs/dbraw/zinc/91/22/40/444912240.db2.gz NSBBDXJGIOLBKK-WMZOPIPTSA-N 2 2 333.476 1.434 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000330267484 444915610 /nfs/dbraw/zinc/91/56/10/444915610.db2.gz ICXKWCODHSMYJA-YJBOKZPZSA-N 2 2 346.475 1.564 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000330267484 444915612 /nfs/dbraw/zinc/91/56/12/444915612.db2.gz ICXKWCODHSMYJA-YJBOKZPZSA-N 2 2 346.475 1.564 20 0 EDADLP COC[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000344357561 444916224 /nfs/dbraw/zinc/91/62/24/444916224.db2.gz DEZVDOXEXPSVBE-GVDBMIGSSA-N 2 2 347.459 1.750 20 0 EDADLP COC[C@@H]1C[C@@H](OC)C[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000344357561 444916226 /nfs/dbraw/zinc/91/62/26/444916226.db2.gz DEZVDOXEXPSVBE-GVDBMIGSSA-N 2 2 347.459 1.750 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC000330530321 445020169 /nfs/dbraw/zinc/02/01/69/445020169.db2.gz ATQMEFLRBFKMCR-WCXIOVBPSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC000330530321 445020174 /nfs/dbraw/zinc/02/01/74/445020174.db2.gz ATQMEFLRBFKMCR-WCXIOVBPSA-N 2 2 346.475 1.067 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000342984887 444989728 /nfs/dbraw/zinc/98/97/28/444989728.db2.gz SDJIJWDLETWSNZ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000342984887 444989730 /nfs/dbraw/zinc/98/97/30/444989730.db2.gz SDJIJWDLETWSNZ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000342984887 444989731 /nfs/dbraw/zinc/98/97/31/444989731.db2.gz SDJIJWDLETWSNZ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000342984887 444989732 /nfs/dbraw/zinc/98/97/32/444989732.db2.gz SDJIJWDLETWSNZ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1ccc(CCC[N@H+]2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)cn1 ZINC000344497424 445012090 /nfs/dbraw/zinc/01/20/90/445012090.db2.gz NCNZGPLYCSPJJV-IRXDYDNUSA-N 2 2 335.423 1.594 20 0 EDADLP Cc1ccc(CCC[N@@H+]2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)c[nH+]1 ZINC000344497424 445012091 /nfs/dbraw/zinc/01/20/91/445012091.db2.gz NCNZGPLYCSPJJV-IRXDYDNUSA-N 2 2 335.423 1.594 20 0 EDADLP Cc1ccc(CCC[N@H+]2C[C@@H](F)C[C@H]2C(=O)N2CCOCC2)c[nH+]1 ZINC000344497424 445012093 /nfs/dbraw/zinc/01/20/93/445012093.db2.gz NCNZGPLYCSPJJV-IRXDYDNUSA-N 2 2 335.423 1.594 20 0 EDADLP CCCCN(CCCO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000341853949 445035018 /nfs/dbraw/zinc/03/50/18/445035018.db2.gz PTMYSFRDKIHSSB-UHFFFAOYSA-N 2 2 328.501 1.207 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)CC2(CO)CC2)CC1 ZINC000341914209 445070416 /nfs/dbraw/zinc/07/04/16/445070416.db2.gz LPYQPVXRDSFGPU-UHFFFAOYSA-N 2 2 331.460 1.035 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)CC2(CO)CC2)CC1 ZINC000341914209 445070419 /nfs/dbraw/zinc/07/04/19/445070419.db2.gz LPYQPVXRDSFGPU-UHFFFAOYSA-N 2 2 331.460 1.035 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000337342546 445039717 /nfs/dbraw/zinc/03/97/17/445039717.db2.gz WFCTWNGMXQDMER-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000337342546 445039721 /nfs/dbraw/zinc/03/97/21/445039721.db2.gz WFCTWNGMXQDMER-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000343071767 445042734 /nfs/dbraw/zinc/04/27/34/445042734.db2.gz NBVMNCFOMGAJJV-INMHGKMJSA-N 2 2 335.496 1.507 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000337553745 445134399 /nfs/dbraw/zinc/13/43/99/445134399.db2.gz UIIVUQXUGOQOFG-QGZVFWFLSA-N 2 2 344.503 1.881 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000337553745 445134403 /nfs/dbraw/zinc/13/44/03/445134403.db2.gz UIIVUQXUGOQOFG-QGZVFWFLSA-N 2 2 344.503 1.881 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@@H]1C ZINC000330874407 445175987 /nfs/dbraw/zinc/17/59/87/445175987.db2.gz SZELCYFYXHPSMI-HOCLYGCPSA-N 2 2 339.480 1.203 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@@H]1C ZINC000330874407 445175993 /nfs/dbraw/zinc/17/59/93/445175993.db2.gz SZELCYFYXHPSMI-HOCLYGCPSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@@H]1C ZINC000330874407 445175994 /nfs/dbraw/zinc/17/59/94/445175994.db2.gz SZELCYFYXHPSMI-HOCLYGCPSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@@H]1C ZINC000330874407 445175999 /nfs/dbraw/zinc/17/59/99/445175999.db2.gz SZELCYFYXHPSMI-HOCLYGCPSA-N 2 2 339.480 1.203 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000345302660 445179850 /nfs/dbraw/zinc/17/98/50/445179850.db2.gz QKUVUJXYCQQPJM-HWLIBYHHSA-N 2 2 345.491 1.544 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000345302660 445179856 /nfs/dbraw/zinc/17/98/56/445179856.db2.gz QKUVUJXYCQQPJM-HWLIBYHHSA-N 2 2 345.491 1.544 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337571827 445144756 /nfs/dbraw/zinc/14/47/56/445144756.db2.gz ZPUCXYQRLDTLBK-GOEBONIOSA-N 2 2 327.432 1.803 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337571827 445144757 /nfs/dbraw/zinc/14/47/57/445144757.db2.gz ZPUCXYQRLDTLBK-GOEBONIOSA-N 2 2 327.432 1.803 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[C@@H]([NH+]3CC=CC3)C1)CCC2 ZINC000337587641 445153123 /nfs/dbraw/zinc/15/31/23/445153123.db2.gz GFCDXYFUICDLRR-HZPDHXFCSA-N 2 2 329.448 1.725 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000346019072 445204102 /nfs/dbraw/zinc/20/41/02/445204102.db2.gz PMXXTPCVFZKIBY-QZTJIDSGSA-N 2 2 331.460 1.611 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000346019072 445204104 /nfs/dbraw/zinc/20/41/04/445204104.db2.gz PMXXTPCVFZKIBY-QZTJIDSGSA-N 2 2 331.460 1.611 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000346019072 445204107 /nfs/dbraw/zinc/20/41/07/445204107.db2.gz PMXXTPCVFZKIBY-QZTJIDSGSA-N 2 2 331.460 1.611 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000346019072 445204108 /nfs/dbraw/zinc/20/41/08/445204108.db2.gz PMXXTPCVFZKIBY-QZTJIDSGSA-N 2 2 331.460 1.611 20 0 EDADLP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C[C@@H](C)C1 ZINC000346175814 445207344 /nfs/dbraw/zinc/20/73/44/445207344.db2.gz DLRZXVCXSPONSC-MPTYRVRUSA-N 2 2 333.480 1.212 20 0 EDADLP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C[C@@H](C)C1 ZINC000346175814 445207345 /nfs/dbraw/zinc/20/73/45/445207345.db2.gz DLRZXVCXSPONSC-MPTYRVRUSA-N 2 2 333.480 1.212 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@H+](C)[C@H]2CCN(C3CC3)C2=O)CCC[NH+]1C ZINC000346885341 445227386 /nfs/dbraw/zinc/22/73/86/445227386.db2.gz NPVNLKNOEXYWCN-WBAXXEDZSA-N 2 2 345.491 1.498 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)[C@H]2CCN(C3CC3)C2=O)CCC[NH+]1C ZINC000346885341 445227389 /nfs/dbraw/zinc/22/73/89/445227389.db2.gz NPVNLKNOEXYWCN-WBAXXEDZSA-N 2 2 345.491 1.498 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)[C@H]2CCN(C3CC3)C2=O)CCC[N@@H+]1C ZINC000346885341 445227390 /nfs/dbraw/zinc/22/73/90/445227390.db2.gz NPVNLKNOEXYWCN-WBAXXEDZSA-N 2 2 345.491 1.498 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)[C@H]2CCN(C3CC3)C2=O)CCC[N@H+]1C ZINC000346885341 445227392 /nfs/dbraw/zinc/22/73/92/445227392.db2.gz NPVNLKNOEXYWCN-WBAXXEDZSA-N 2 2 345.491 1.498 20 0 EDADLP CCOC(=O)COCC[N@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000351635863 445251842 /nfs/dbraw/zinc/25/18/42/445251842.db2.gz QQHUBEFBIQNZRC-SJLPKXTDSA-N 2 2 335.448 1.586 20 0 EDADLP CCOC(=O)COCC[N@@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000351635863 445251843 /nfs/dbraw/zinc/25/18/43/445251843.db2.gz QQHUBEFBIQNZRC-SJLPKXTDSA-N 2 2 335.448 1.586 20 0 EDADLP CCOC(=O)COCC[NH+](C)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000351635863 445251844 /nfs/dbraw/zinc/25/18/44/445251844.db2.gz QQHUBEFBIQNZRC-SJLPKXTDSA-N 2 2 335.448 1.586 20 0 EDADLP CCOC(=O)COCC[NH+](C)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000351635863 445251845 /nfs/dbraw/zinc/25/18/45/445251845.db2.gz QQHUBEFBIQNZRC-SJLPKXTDSA-N 2 2 335.448 1.586 20 0 EDADLP Cc1oncc1C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348175207 445304831 /nfs/dbraw/zinc/30/48/31/445304831.db2.gz XADIOWIWCWTFJM-CABCVRRESA-N 2 2 348.426 1.888 20 0 EDADLP Cc1oncc1C[N@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348175207 445304834 /nfs/dbraw/zinc/30/48/34/445304834.db2.gz XADIOWIWCWTFJM-CABCVRRESA-N 2 2 348.426 1.888 20 0 EDADLP Cn1cc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000348216622 445319239 /nfs/dbraw/zinc/31/92/39/445319239.db2.gz DGHVKSDGVQJEAK-FUHWJXTLSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000348216622 445319242 /nfs/dbraw/zinc/31/92/42/445319242.db2.gz DGHVKSDGVQJEAK-FUHWJXTLSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000348216622 445319246 /nfs/dbraw/zinc/31/92/46/445319246.db2.gz DGHVKSDGVQJEAK-FUHWJXTLSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000348216622 445319249 /nfs/dbraw/zinc/31/92/49/445319249.db2.gz DGHVKSDGVQJEAK-FUHWJXTLSA-N 2 2 330.480 1.711 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1C(C)=CCC[C@H]1C ZINC000343628932 445270158 /nfs/dbraw/zinc/27/01/58/445270158.db2.gz XQZRJXNHKKPRTP-QZTJIDSGSA-N 2 2 337.508 1.701 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1C(C)=CCC[C@H]1C ZINC000343628932 445270160 /nfs/dbraw/zinc/27/01/60/445270160.db2.gz XQZRJXNHKKPRTP-QZTJIDSGSA-N 2 2 337.508 1.701 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000343636228 445274061 /nfs/dbraw/zinc/27/40/61/445274061.db2.gz BOITXXQAHCTNOS-UHFFFAOYSA-N 2 2 338.455 1.975 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000348586216 445333248 /nfs/dbraw/zinc/33/32/48/445333248.db2.gz FMDKMOWHEJNZFP-SQNIBIBYSA-N 2 2 329.444 1.192 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000348586216 445333252 /nfs/dbraw/zinc/33/32/52/445333252.db2.gz FMDKMOWHEJNZFP-SQNIBIBYSA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)[C@H]2C1 ZINC000348586216 445333256 /nfs/dbraw/zinc/33/32/56/445333256.db2.gz FMDKMOWHEJNZFP-SQNIBIBYSA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@H+]3Cc3ccccc3)[C@H]2C1 ZINC000348586216 445333259 /nfs/dbraw/zinc/33/32/59/445333259.db2.gz FMDKMOWHEJNZFP-SQNIBIBYSA-N 2 2 329.444 1.192 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000351857374 445344778 /nfs/dbraw/zinc/34/47/78/445344778.db2.gz XJSKECYUVNXCLE-QWHCGFSZSA-N 2 2 327.450 1.233 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000351857374 445344781 /nfs/dbraw/zinc/34/47/81/445344781.db2.gz XJSKECYUVNXCLE-QWHCGFSZSA-N 2 2 327.450 1.233 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000354743493 445360818 /nfs/dbraw/zinc/36/08/18/445360818.db2.gz AZMPMTJBACAVDA-HNNXBMFYSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000354743493 445360820 /nfs/dbraw/zinc/36/08/20/445360820.db2.gz AZMPMTJBACAVDA-HNNXBMFYSA-N 2 2 347.463 1.154 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000348751460 445362332 /nfs/dbraw/zinc/36/23/32/445362332.db2.gz ROYIDDGQQXJNNX-INIZCTEOSA-N 2 2 334.464 1.829 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357066710 445404248 /nfs/dbraw/zinc/40/42/48/445404248.db2.gz CCENIBWNCBLTEJ-YESZJQIVSA-N 2 2 331.460 1.420 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357066710 445404253 /nfs/dbraw/zinc/40/42/53/445404253.db2.gz CCENIBWNCBLTEJ-YESZJQIVSA-N 2 2 331.460 1.420 20 0 EDADLP C[N@H+](CC(=O)NC(C1CC1)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362488982 445408332 /nfs/dbraw/zinc/40/83/32/445408332.db2.gz UAZSLXGFIWTSGO-SFHVURJKSA-N 2 2 348.535 1.392 20 0 EDADLP C[N@@H+](CC(=O)NC(C1CC1)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362488982 445408336 /nfs/dbraw/zinc/40/83/36/445408336.db2.gz UAZSLXGFIWTSGO-SFHVURJKSA-N 2 2 348.535 1.392 20 0 EDADLP CN(CC(=O)NC(C1CC1)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362488982 445408339 /nfs/dbraw/zinc/40/83/39/445408339.db2.gz UAZSLXGFIWTSGO-SFHVURJKSA-N 2 2 348.535 1.392 20 0 EDADLP CN(CC(=O)NC(C1CC1)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362488982 445408343 /nfs/dbraw/zinc/40/83/43/445408343.db2.gz UAZSLXGFIWTSGO-SFHVURJKSA-N 2 2 348.535 1.392 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000357073239 445408552 /nfs/dbraw/zinc/40/85/52/445408552.db2.gz DYWXTCVFLPSBNN-GJZGRUSLSA-N 2 2 338.455 1.594 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000357073239 445408555 /nfs/dbraw/zinc/40/85/55/445408555.db2.gz DYWXTCVFLPSBNN-GJZGRUSLSA-N 2 2 338.455 1.594 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357082256 445415420 /nfs/dbraw/zinc/41/54/20/445415420.db2.gz HLKVBMMPLWGIPF-HOTGVXAUSA-N 2 2 333.501 1.745 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357082256 445415424 /nfs/dbraw/zinc/41/54/24/445415424.db2.gz HLKVBMMPLWGIPF-HOTGVXAUSA-N 2 2 333.501 1.745 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357082694 445415469 /nfs/dbraw/zinc/41/54/69/445415469.db2.gz OXZIJXLWDLSAEX-HOTGVXAUSA-N 2 2 347.459 1.204 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357082694 445415473 /nfs/dbraw/zinc/41/54/73/445415473.db2.gz OXZIJXLWDLSAEX-HOTGVXAUSA-N 2 2 347.459 1.204 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000357105068 445431598 /nfs/dbraw/zinc/43/15/98/445431598.db2.gz WYFFQFSXLMNRFP-KXBFYZLASA-N 2 2 344.459 1.558 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000357105068 445431599 /nfs/dbraw/zinc/43/15/99/445431599.db2.gz WYFFQFSXLMNRFP-KXBFYZLASA-N 2 2 344.459 1.558 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000357105068 445431600 /nfs/dbraw/zinc/43/16/00/445431600.db2.gz WYFFQFSXLMNRFP-KXBFYZLASA-N 2 2 344.459 1.558 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000357105068 445431602 /nfs/dbraw/zinc/43/16/02/445431602.db2.gz WYFFQFSXLMNRFP-KXBFYZLASA-N 2 2 344.459 1.558 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000357087903 445420000 /nfs/dbraw/zinc/42/00/00/445420000.db2.gz SMKLHSBGHSADIR-GJZGRUSLSA-N 2 2 330.432 1.493 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000357087903 445420004 /nfs/dbraw/zinc/42/00/04/445420004.db2.gz SMKLHSBGHSADIR-GJZGRUSLSA-N 2 2 330.432 1.493 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000359776927 445422483 /nfs/dbraw/zinc/42/24/83/445422483.db2.gz CUOKMGMDSXXKIE-OKZBNKHCSA-N 2 2 337.508 1.676 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2=O)c1 ZINC000357093996 445424338 /nfs/dbraw/zinc/42/43/38/445424338.db2.gz XNEAWFQWAHNVLT-LBTNJELSSA-N 2 2 345.443 1.350 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2=O)c1 ZINC000357093996 445424342 /nfs/dbraw/zinc/42/43/42/445424342.db2.gz XNEAWFQWAHNVLT-LBTNJELSSA-N 2 2 345.443 1.350 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000348943584 445450281 /nfs/dbraw/zinc/45/02/81/445450281.db2.gz YRVDESAJQCOYHK-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000348943584 445450287 /nfs/dbraw/zinc/45/02/87/445450287.db2.gz YRVDESAJQCOYHK-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000357153761 445457093 /nfs/dbraw/zinc/45/70/93/445457093.db2.gz VMUDMLBKDKUSCA-INIZCTEOSA-N 2 2 344.459 1.698 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CCCO1 ZINC000355441457 445459921 /nfs/dbraw/zinc/45/99/21/445459921.db2.gz BYJCUFPMXRXLCM-HOCLYGCPSA-N 2 2 349.479 1.671 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CCCO1 ZINC000355441457 445459925 /nfs/dbraw/zinc/45/99/25/445459925.db2.gz BYJCUFPMXRXLCM-HOCLYGCPSA-N 2 2 349.479 1.671 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc4c3OCCO4)C2)CC1 ZINC000362708329 445511267 /nfs/dbraw/zinc/51/12/67/445511267.db2.gz WVCPTEAZGGXGBC-CQSZACIVSA-N 2 2 345.443 1.356 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc4c3OCCO4)C2)CC1 ZINC000362708329 445511270 /nfs/dbraw/zinc/51/12/70/445511270.db2.gz WVCPTEAZGGXGBC-CQSZACIVSA-N 2 2 345.443 1.356 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CCN1C ZINC000355873498 445514615 /nfs/dbraw/zinc/51/46/15/445514615.db2.gz MHFOIYAABHCAAY-ZIAGYGMSSA-N 2 2 328.420 1.009 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)N[C@@H](C)CC[NH+](C)C)c2)cc[nH+]1 ZINC000349145284 445521908 /nfs/dbraw/zinc/52/19/08/445521908.db2.gz DTVMUHBWHUNOED-AWEZNQCLSA-N 2 2 341.459 2.467 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000362663634 445485553 /nfs/dbraw/zinc/48/55/53/445485553.db2.gz AEQXRVUTUXRDAP-HNNXBMFYSA-N 2 2 342.418 1.770 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000362663634 445485554 /nfs/dbraw/zinc/48/55/54/445485554.db2.gz AEQXRVUTUXRDAP-HNNXBMFYSA-N 2 2 342.418 1.770 20 0 EDADLP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362664644 445486274 /nfs/dbraw/zinc/48/62/74/445486274.db2.gz NANUQTBGHLEQKO-WBVHZDCISA-N 2 2 331.460 1.695 20 0 EDADLP COc1ccc([C@H](C)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362664644 445486277 /nfs/dbraw/zinc/48/62/77/445486277.db2.gz NANUQTBGHLEQKO-WBVHZDCISA-N 2 2 331.460 1.695 20 0 EDADLP O=C(C[NH+]1CCC(CCCO)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000360097468 445564719 /nfs/dbraw/zinc/56/47/19/445564719.db2.gz KJOUUTADHMNCNK-UHFFFAOYSA-N 2 2 349.475 1.408 20 0 EDADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362825439 445566865 /nfs/dbraw/zinc/56/68/65/445566865.db2.gz HLYBQMROLKWWPK-CJNGLKHVSA-N 2 2 348.422 1.049 20 0 EDADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362825439 445566869 /nfs/dbraw/zinc/56/68/69/445566869.db2.gz HLYBQMROLKWWPK-CJNGLKHVSA-N 2 2 348.422 1.049 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000353438263 445602903 /nfs/dbraw/zinc/60/29/03/445602903.db2.gz WTOPLSIVPWAIPR-ROUUACIJSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000353438263 445602908 /nfs/dbraw/zinc/60/29/08/445602908.db2.gz WTOPLSIVPWAIPR-ROUUACIJSA-N 2 2 335.492 1.717 20 0 EDADLP Cc1nc2ccccn2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000349544246 445609316 /nfs/dbraw/zinc/60/93/16/445609316.db2.gz VIKQDIKAMMAGLJ-UHFFFAOYSA-N 2 2 327.476 1.856 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353524270 445641560 /nfs/dbraw/zinc/64/15/60/445641560.db2.gz CZGXPZULTDGFOF-HZPDHXFCSA-N 2 2 333.480 1.961 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353524270 445641563 /nfs/dbraw/zinc/64/15/63/445641563.db2.gz CZGXPZULTDGFOF-HZPDHXFCSA-N 2 2 333.480 1.961 20 0 EDADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@](C)(O)C(=O)OC ZINC000353504917 445633879 /nfs/dbraw/zinc/63/38/79/445633879.db2.gz VGXYGYDZMNVRFR-GOSISDBHSA-N 2 2 335.448 1.544 20 0 EDADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@](C)(O)C(=O)OC ZINC000353504917 445633883 /nfs/dbraw/zinc/63/38/83/445633883.db2.gz VGXYGYDZMNVRFR-GOSISDBHSA-N 2 2 335.448 1.544 20 0 EDADLP COC[C@H](C)[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000360152688 445597156 /nfs/dbraw/zinc/59/71/56/445597156.db2.gz WQKPCVSBLSRWKK-GJZGRUSLSA-N 2 2 325.497 1.580 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)CCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000360311371 445690608 /nfs/dbraw/zinc/69/06/08/445690608.db2.gz UMFSAWAFUWQMHO-IAGOWNOFSA-N 2 2 341.496 1.057 20 0 EDADLP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363182459 445711292 /nfs/dbraw/zinc/71/12/92/445711292.db2.gz XYJYFFFOGCIIRO-INIZCTEOSA-N 2 2 346.475 1.261 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000353805320 445764997 /nfs/dbraw/zinc/76/49/97/445764997.db2.gz DFOFWGSDVDOCDW-HZPDHXFCSA-N 2 2 336.505 1.812 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000353805320 445765000 /nfs/dbraw/zinc/76/50/00/445765000.db2.gz DFOFWGSDVDOCDW-HZPDHXFCSA-N 2 2 336.505 1.812 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000356395108 445769711 /nfs/dbraw/zinc/76/97/11/445769711.db2.gz SZXAEASJEUXDHF-ROUUACIJSA-N 2 2 345.487 1.940 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000356395108 445769715 /nfs/dbraw/zinc/76/97/15/445769715.db2.gz SZXAEASJEUXDHF-ROUUACIJSA-N 2 2 345.487 1.940 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363477023 445819651 /nfs/dbraw/zinc/81/96/51/445819651.db2.gz OVQFDFDBLAUEJR-OIISXLGYSA-N 2 2 349.479 1.068 20 0 EDADLP Cn1ccnc1[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000353881690 445795960 /nfs/dbraw/zinc/79/59/60/445795960.db2.gz MFBHJBONAZKSMB-SFHVURJKSA-N 2 2 347.507 1.257 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000358832531 445799119 /nfs/dbraw/zinc/79/91/19/445799119.db2.gz RUFYPWDLKJLFQP-IXDOHACOSA-N 2 2 345.491 1.001 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N(C(C)C)C(C)C)CC1 ZINC000361521085 445800923 /nfs/dbraw/zinc/80/09/23/445800923.db2.gz YDQQLGZFQLLXDT-UHFFFAOYSA-N 2 2 334.464 1.858 20 0 EDADLP CN(C(=O)N[C@@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363820293 445877004 /nfs/dbraw/zinc/87/70/04/445877004.db2.gz MUJIKIYVBDRBKO-UKRRQHHQSA-N 2 2 326.510 1.302 20 0 EDADLP CN(C(=O)N[C@@H]1CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363820293 445877007 /nfs/dbraw/zinc/87/70/07/445877007.db2.gz MUJIKIYVBDRBKO-UKRRQHHQSA-N 2 2 326.510 1.302 20 0 EDADLP CCNC(=O)CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361698071 445883145 /nfs/dbraw/zinc/88/31/45/445883145.db2.gz BCDKAAXOADPDCF-UHFFFAOYSA-N 2 2 341.459 1.434 20 0 EDADLP CCNC(=O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000363532804 445846910 /nfs/dbraw/zinc/84/69/10/445846910.db2.gz LTGRSOORXGKLSJ-UHFFFAOYSA-N 2 2 333.480 1.945 20 0 EDADLP CCNC(=O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000363532804 445846913 /nfs/dbraw/zinc/84/69/13/445846913.db2.gz LTGRSOORXGKLSJ-UHFFFAOYSA-N 2 2 333.480 1.945 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000354024884 445860637 /nfs/dbraw/zinc/86/06/37/445860637.db2.gz VLEPBSFBQGOMQR-MRXNPFEDSA-N 2 2 333.476 1.979 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000354024884 445860639 /nfs/dbraw/zinc/86/06/39/445860639.db2.gz VLEPBSFBQGOMQR-MRXNPFEDSA-N 2 2 333.476 1.979 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)c1 ZINC000361711072 445892469 /nfs/dbraw/zinc/89/24/69/445892469.db2.gz OZJWYWQDLOLLPF-KSSFIOAISA-N 2 2 335.423 1.602 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000372975242 445953103 /nfs/dbraw/zinc/95/31/03/445953103.db2.gz DWARJMFPCGXPFQ-INIZCTEOSA-N 2 2 325.416 1.912 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000372975242 445953110 /nfs/dbraw/zinc/95/31/10/445953110.db2.gz DWARJMFPCGXPFQ-INIZCTEOSA-N 2 2 325.416 1.912 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)n1 ZINC000372977751 445955205 /nfs/dbraw/zinc/95/52/05/445955205.db2.gz LKNFONOGGQRYRK-KDOFPFPSSA-N 2 2 329.448 1.996 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)n1 ZINC000372977751 445955211 /nfs/dbraw/zinc/95/52/11/445955211.db2.gz LKNFONOGGQRYRK-KDOFPFPSSA-N 2 2 329.448 1.996 20 0 EDADLP COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CCCCC1 ZINC000372992796 445964906 /nfs/dbraw/zinc/96/49/06/445964906.db2.gz ZAJBPOGHWSTICF-HNNXBMFYSA-N 2 2 339.480 1.395 20 0 EDADLP COC(=O)C1(NC(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CCCCC1 ZINC000372992796 445964911 /nfs/dbraw/zinc/96/49/11/445964911.db2.gz ZAJBPOGHWSTICF-HNNXBMFYSA-N 2 2 339.480 1.395 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366078368 445998590 /nfs/dbraw/zinc/99/85/90/445998590.db2.gz LKCSBKSKGQVBRW-QZTJIDSGSA-N 2 2 346.475 1.452 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000366078368 445998594 /nfs/dbraw/zinc/99/85/94/445998594.db2.gz LKCSBKSKGQVBRW-QZTJIDSGSA-N 2 2 346.475 1.452 20 0 EDADLP COc1ncc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)n1 ZINC000369195941 445984021 /nfs/dbraw/zinc/98/40/21/445984021.db2.gz WRDTVROXZYOQSA-RHSMWYFYSA-N 2 2 333.480 1.251 20 0 EDADLP COc1ncc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)n1 ZINC000369195941 445984028 /nfs/dbraw/zinc/98/40/28/445984028.db2.gz WRDTVROXZYOQSA-RHSMWYFYSA-N 2 2 333.480 1.251 20 0 EDADLP CN1CCN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000365994004 445949459 /nfs/dbraw/zinc/94/94/59/445949459.db2.gz FEYQMPOQEPQUST-INIZCTEOSA-N 2 2 327.432 1.600 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000366112361 446020471 /nfs/dbraw/zinc/02/04/71/446020471.db2.gz GWONQSKZDHBJEY-AWEZNQCLSA-N 2 2 345.447 1.942 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000366112361 446020475 /nfs/dbraw/zinc/02/04/75/446020475.db2.gz GWONQSKZDHBJEY-AWEZNQCLSA-N 2 2 345.447 1.942 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000361897939 446048085 /nfs/dbraw/zinc/04/80/85/446048085.db2.gz XUIGGOAHRIZJEY-KRWDZBQOSA-N 2 2 335.496 1.805 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000361897939 446048088 /nfs/dbraw/zinc/04/80/88/446048088.db2.gz XUIGGOAHRIZJEY-KRWDZBQOSA-N 2 2 335.496 1.805 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSc3ccncc3)C2)CC1 ZINC000369265350 446030941 /nfs/dbraw/zinc/03/09/41/446030941.db2.gz FYLKFXKAFNXPDW-AWEZNQCLSA-N 2 2 334.489 1.458 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSc3ccncc3)C2)CC1 ZINC000369265350 446030944 /nfs/dbraw/zinc/03/09/44/446030944.db2.gz FYLKFXKAFNXPDW-AWEZNQCLSA-N 2 2 334.489 1.458 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000356804315 446036496 /nfs/dbraw/zinc/03/64/96/446036496.db2.gz KUFRBAMUFFYNJF-AOIWGVFYSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000356804315 446036503 /nfs/dbraw/zinc/03/65/03/446036503.db2.gz KUFRBAMUFFYNJF-AOIWGVFYSA-N 2 2 349.519 1.963 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSCc3ccccn3)C2)CC1 ZINC000369274196 446040851 /nfs/dbraw/zinc/04/08/51/446040851.db2.gz NEXMONZFYLETQO-HNNXBMFYSA-N 2 2 348.516 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSCc3ccccn3)C2)CC1 ZINC000369274196 446040857 /nfs/dbraw/zinc/04/08/57/446040857.db2.gz NEXMONZFYLETQO-HNNXBMFYSA-N 2 2 348.516 1.600 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000369274716 446041232 /nfs/dbraw/zinc/04/12/32/446041232.db2.gz RLQYZXFBNMKLRM-BXUZGUMPSA-N 2 2 334.291 1.855 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000369274716 446041237 /nfs/dbraw/zinc/04/12/37/446041237.db2.gz RLQYZXFBNMKLRM-BXUZGUMPSA-N 2 2 334.291 1.855 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000361893763 446046542 /nfs/dbraw/zinc/04/65/42/446046542.db2.gz ROKYCTSINSWVPN-OTWHNJEPSA-N 3 2 341.540 1.681 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000361893763 446046546 /nfs/dbraw/zinc/04/65/46/446046546.db2.gz ROKYCTSINSWVPN-OTWHNJEPSA-N 3 2 341.540 1.681 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000354208037 446001575 /nfs/dbraw/zinc/00/15/75/446001575.db2.gz NMLHBOTXBGPWPD-FUHWJXTLSA-N 3 2 338.540 1.780 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000354208037 446001582 /nfs/dbraw/zinc/00/15/82/446001582.db2.gz NMLHBOTXBGPWPD-FUHWJXTLSA-N 3 2 338.540 1.780 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000354208037 446001589 /nfs/dbraw/zinc/00/15/89/446001589.db2.gz NMLHBOTXBGPWPD-FUHWJXTLSA-N 3 2 338.540 1.780 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000354208037 446001596 /nfs/dbraw/zinc/00/15/96/446001596.db2.gz NMLHBOTXBGPWPD-FUHWJXTLSA-N 3 2 338.540 1.780 20 0 EDADLP O=C(c1ccc(Cl)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000583084418 325996558 /nfs/dbraw/zinc/99/65/58/325996558.db2.gz WBGSEFXCWWNWJR-UHFFFAOYSA-N 2 2 336.867 1.003 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c[nH+]1 ZINC000359220736 446050663 /nfs/dbraw/zinc/05/06/63/446050663.db2.gz GBHKTGPEAYAPSH-OAHLLOKOSA-N 2 2 331.464 1.964 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c[nH+]1 ZINC000359220736 446050669 /nfs/dbraw/zinc/05/06/69/446050669.db2.gz GBHKTGPEAYAPSH-OAHLLOKOSA-N 2 2 331.464 1.964 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CCCO1 ZINC000583487614 326081221 /nfs/dbraw/zinc/08/12/21/326081221.db2.gz MBKNDAQWQYZCOB-OAHLLOKOSA-N 2 2 344.415 1.398 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CCCO1 ZINC000583487614 326081222 /nfs/dbraw/zinc/08/12/22/326081222.db2.gz MBKNDAQWQYZCOB-OAHLLOKOSA-N 2 2 344.415 1.398 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000583518390 326089049 /nfs/dbraw/zinc/08/90/49/326089049.db2.gz MVPFCVZHTVGBMB-AWEZNQCLSA-N 2 2 344.419 1.169 20 0 EDADLP O=C1[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCN1CC(F)(F)F ZINC000583638843 326110262 /nfs/dbraw/zinc/11/02/62/326110262.db2.gz LKTHIBSRMFXERM-NSHDSACASA-N 2 2 331.342 1.085 20 0 EDADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000583864335 326154462 /nfs/dbraw/zinc/15/44/62/326154462.db2.gz GPVHMMJIBFNPRK-OAHLLOKOSA-N 2 2 331.420 1.909 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000583921118 326165438 /nfs/dbraw/zinc/16/54/38/326165438.db2.gz RFJOUVMWFBDCSN-ZBFHGGJFSA-N 2 2 343.406 1.905 20 0 EDADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000356854653 446072282 /nfs/dbraw/zinc/07/22/82/446072282.db2.gz UTUBWPIOYIJOGD-RCCFBDPRSA-N 2 2 339.524 1.970 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000351472892 446072738 /nfs/dbraw/zinc/07/27/38/446072738.db2.gz BSXQTXJDNOBDPQ-DDTOSNHZSA-N 2 2 325.359 1.896 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000351472892 446072748 /nfs/dbraw/zinc/07/27/48/446072748.db2.gz BSXQTXJDNOBDPQ-DDTOSNHZSA-N 2 2 325.359 1.896 20 0 EDADLP CC[C@@H]1C[C@@H](CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000359259493 446095323 /nfs/dbraw/zinc/09/53/23/446095323.db2.gz JVIBAOYHCSTMOP-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)CC(C)C ZINC000351516090 446119799 /nfs/dbraw/zinc/11/97/99/446119799.db2.gz HWNMGIAGHTUBDM-ULQDDVLXSA-N 2 2 340.512 1.467 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)CC(C)C ZINC000351516090 446119806 /nfs/dbraw/zinc/11/98/06/446119806.db2.gz HWNMGIAGHTUBDM-ULQDDVLXSA-N 2 2 340.512 1.467 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000359297756 446130663 /nfs/dbraw/zinc/13/06/63/446130663.db2.gz FLMNXPXJCLFHAL-OALUTQOASA-N 2 2 327.472 1.619 20 0 EDADLP Cc1nn(C)c(C)c1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369853537 446160605 /nfs/dbraw/zinc/16/06/05/446160605.db2.gz XFMZBFOFGULGNR-HNNXBMFYSA-N 2 2 348.495 1.005 20 0 EDADLP Cc1nn(C)c(C)c1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369853537 446160611 /nfs/dbraw/zinc/16/06/11/446160611.db2.gz XFMZBFOFGULGNR-HNNXBMFYSA-N 2 2 348.495 1.005 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1nc2ccccc2n1C ZINC000359368745 446178735 /nfs/dbraw/zinc/17/87/35/446178735.db2.gz FHCPSGIZFXRKCQ-HUUCEWRRSA-N 2 2 343.475 1.811 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1nc2ccccc2n1C ZINC000359368745 446178738 /nfs/dbraw/zinc/17/87/38/446178738.db2.gz FHCPSGIZFXRKCQ-HUUCEWRRSA-N 2 2 343.475 1.811 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000359380623 446185777 /nfs/dbraw/zinc/18/57/77/446185777.db2.gz BDTQZQKPURSVCU-LSDHHAIUSA-N 2 2 336.480 1.561 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000359380623 446185783 /nfs/dbraw/zinc/18/57/83/446185783.db2.gz BDTQZQKPURSVCU-LSDHHAIUSA-N 2 2 336.480 1.561 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]3c3cccc(O)c3)C2)CC1 ZINC000373507868 446243144 /nfs/dbraw/zinc/24/31/44/446243144.db2.gz JHAYCRUQGOUODU-LZQZEXGQSA-N 2 2 343.471 1.780 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]3c3cccc(O)c3)C2)CC1 ZINC000373507868 446243147 /nfs/dbraw/zinc/24/31/47/446243147.db2.gz JHAYCRUQGOUODU-LZQZEXGQSA-N 2 2 343.471 1.780 20 0 EDADLP C[C@@H]1CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C[C@H]1n1cc[nH+]c1 ZINC000370229573 446195608 /nfs/dbraw/zinc/19/56/08/446195608.db2.gz CGJDYMQDSKXHAT-BZUAXINKSA-N 2 2 342.447 2.352 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354438707 446204188 /nfs/dbraw/zinc/20/41/88/446204188.db2.gz OZNJMKDJRZWQNY-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354438707 446204190 /nfs/dbraw/zinc/20/41/90/446204190.db2.gz OZNJMKDJRZWQNY-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354438707 446204193 /nfs/dbraw/zinc/20/41/93/446204193.db2.gz OZNJMKDJRZWQNY-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354438707 446204196 /nfs/dbraw/zinc/20/41/96/446204196.db2.gz OZNJMKDJRZWQNY-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+]1CCC(N2CCN(c3nc[nH+]c(N)c3Cl)CC2)CC1 ZINC000365483137 446227290 /nfs/dbraw/zinc/22/72/90/446227290.db2.gz JHGXNEKJXAWSTF-UHFFFAOYSA-N 2 2 338.887 1.709 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000365496251 446231493 /nfs/dbraw/zinc/23/14/93/446231493.db2.gz GMOKBQXXYQPLCX-QGZVFWFLSA-N 2 2 344.459 1.337 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000365496251 446231497 /nfs/dbraw/zinc/23/14/97/446231497.db2.gz GMOKBQXXYQPLCX-QGZVFWFLSA-N 2 2 344.459 1.337 20 0 EDADLP OCC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccco1 ZINC000370349777 446241457 /nfs/dbraw/zinc/24/14/57/446241457.db2.gz SJACKTBFDUOHFQ-KRWDZBQOSA-N 2 2 337.464 1.089 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365539207 446246677 /nfs/dbraw/zinc/24/66/77/446246677.db2.gz PDDXWGAITDMOEX-YESZJQIVSA-N 2 2 337.427 1.824 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365539207 446246681 /nfs/dbraw/zinc/24/66/81/446246681.db2.gz PDDXWGAITDMOEX-YESZJQIVSA-N 2 2 337.427 1.824 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370371766 446251726 /nfs/dbraw/zinc/25/17/26/446251726.db2.gz OMZVNMBRDTUGTO-GDBMZVCRSA-N 2 2 342.447 1.795 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370371766 446251731 /nfs/dbraw/zinc/25/17/31/446251731.db2.gz OMZVNMBRDTUGTO-GDBMZVCRSA-N 2 2 342.447 1.795 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365589995 446264238 /nfs/dbraw/zinc/26/42/38/446264238.db2.gz WCSSVIKYAPJEMT-INIZCTEOSA-N 2 2 335.492 1.622 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365589995 446264244 /nfs/dbraw/zinc/26/42/44/446264244.db2.gz WCSSVIKYAPJEMT-INIZCTEOSA-N 2 2 335.492 1.622 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000365614435 446274667 /nfs/dbraw/zinc/27/46/67/446274667.db2.gz TWIGJPOVNTXWSK-CQSZACIVSA-N 2 2 345.447 1.822 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000365614435 446274671 /nfs/dbraw/zinc/27/46/71/446274671.db2.gz TWIGJPOVNTXWSK-CQSZACIVSA-N 2 2 345.447 1.822 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000362260472 446290462 /nfs/dbraw/zinc/29/04/62/446290462.db2.gz XRJCVCJAXUWZEJ-LJQANCHMSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@H+](C1CC[NH+](CCO)CC1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359611092 446318712 /nfs/dbraw/zinc/31/87/12/446318712.db2.gz ACASPNJHZWKKRT-MRXNPFEDSA-N 2 2 325.497 1.412 20 0 EDADLP C[N@@H+](C1CC[NH+](CCO)CC1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359611092 446318715 /nfs/dbraw/zinc/31/87/15/446318715.db2.gz ACASPNJHZWKKRT-MRXNPFEDSA-N 2 2 325.497 1.412 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)CO[C@H](C)COC)C1 ZINC000365731134 446319756 /nfs/dbraw/zinc/31/97/56/446319756.db2.gz CBMQCTHFQFVMED-OAGGEKHMSA-N 2 2 325.453 1.495 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)CO[C@H](C)COC)C1 ZINC000365731134 446319758 /nfs/dbraw/zinc/31/97/58/446319758.db2.gz CBMQCTHFQFVMED-OAGGEKHMSA-N 2 2 325.453 1.495 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359614336 446320820 /nfs/dbraw/zinc/32/08/20/446320820.db2.gz UPTLHKXDJUFFKR-KRWDZBQOSA-N 2 2 339.524 1.802 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359614336 446320824 /nfs/dbraw/zinc/32/08/24/446320824.db2.gz UPTLHKXDJUFFKR-KRWDZBQOSA-N 2 2 339.524 1.802 20 0 EDADLP CCCCNc1cc(N2CCC(C[NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000374001565 446346164 /nfs/dbraw/zinc/34/61/64/446346164.db2.gz JYFCUHXVKRNGFN-UHFFFAOYSA-N 2 2 348.495 1.819 20 0 EDADLP CCCCNc1cc(N2CCC(C[NH+]3CCOCC3)CC2)[nH+]c(N)n1 ZINC000374001565 446346173 /nfs/dbraw/zinc/34/61/73/446346173.db2.gz JYFCUHXVKRNGFN-UHFFFAOYSA-N 2 2 348.495 1.819 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417548471 446363789 /nfs/dbraw/zinc/36/37/89/446363789.db2.gz VTNUKDCBVSYEBK-INIZCTEOSA-N 2 2 339.528 1.173 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370714332 446399526 /nfs/dbraw/zinc/39/95/26/446399526.db2.gz JCCWXTDZSOHWFE-INIZCTEOSA-N 3 2 348.495 1.083 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370714332 446399529 /nfs/dbraw/zinc/39/95/29/446399529.db2.gz JCCWXTDZSOHWFE-INIZCTEOSA-N 3 2 348.495 1.083 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417959613 446400980 /nfs/dbraw/zinc/40/09/80/446400980.db2.gz WQJGZQXYFQQFPV-LSDHHAIUSA-N 2 2 326.391 1.619 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417959613 446400984 /nfs/dbraw/zinc/40/09/84/446400984.db2.gz WQJGZQXYFQQFPV-LSDHHAIUSA-N 2 2 326.391 1.619 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC(C)(C)CCC[NH3+])nc[nH+]1 ZINC000417771106 446372613 /nfs/dbraw/zinc/37/26/13/446372613.db2.gz GDLJGXODERJRGV-ZDUSSCGKSA-N 2 2 349.483 1.304 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC(C)(C)CCC[NH3+])[nH+]cn1 ZINC000417771106 446372619 /nfs/dbraw/zinc/37/26/19/446372619.db2.gz GDLJGXODERJRGV-ZDUSSCGKSA-N 2 2 349.483 1.304 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000376207911 446380320 /nfs/dbraw/zinc/38/03/20/446380320.db2.gz FJXQKHGRQKNYFB-OAGGEKHMSA-N 2 2 349.479 1.511 20 0 EDADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417898980 446380383 /nfs/dbraw/zinc/38/03/83/446380383.db2.gz KCVMLNLFVPXMKF-QGZVFWFLSA-N 2 2 333.476 1.571 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000417959595 446400433 /nfs/dbraw/zinc/40/04/33/446400433.db2.gz WNLWUXFPKAWKPS-XZJROXQQSA-N 2 2 338.402 1.713 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000417959595 446400436 /nfs/dbraw/zinc/40/04/36/446400436.db2.gz WNLWUXFPKAWKPS-XZJROXQQSA-N 2 2 338.402 1.713 20 0 EDADLP CO[C@@H](C)c1noc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000376228265 446390985 /nfs/dbraw/zinc/39/09/85/446390985.db2.gz UDJXQBBMUQSRRC-AWEZNQCLSA-N 2 2 338.452 1.711 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000411031293 446392842 /nfs/dbraw/zinc/39/28/42/446392842.db2.gz SODTVQPEGDFGMC-LSDHHAIUSA-N 2 2 347.463 1.057 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000411031293 446392847 /nfs/dbraw/zinc/39/28/47/446392847.db2.gz SODTVQPEGDFGMC-LSDHHAIUSA-N 2 2 347.463 1.057 20 0 EDADLP CCOCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000365904741 446396530 /nfs/dbraw/zinc/39/65/30/446396530.db2.gz FXVSFPGOUPHRNW-IEBWSBKVSA-N 2 2 347.503 1.982 20 0 EDADLP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000365904741 446396534 /nfs/dbraw/zinc/39/65/34/446396534.db2.gz FXVSFPGOUPHRNW-IEBWSBKVSA-N 2 2 347.503 1.982 20 0 EDADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000365904741 446396537 /nfs/dbraw/zinc/39/65/37/446396537.db2.gz FXVSFPGOUPHRNW-IEBWSBKVSA-N 2 2 347.503 1.982 20 0 EDADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000365904741 446396542 /nfs/dbraw/zinc/39/65/42/446396542.db2.gz FXVSFPGOUPHRNW-IEBWSBKVSA-N 2 2 347.503 1.982 20 0 EDADLP CC[N@H+](CCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)CCC(F)(F)F ZINC000418075531 446433193 /nfs/dbraw/zinc/43/31/93/446433193.db2.gz HEBIALVPEPPAAN-CYBMUJFWSA-N 2 2 342.381 1.604 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)CCC(F)(F)F ZINC000418075531 446433198 /nfs/dbraw/zinc/43/31/98/446433198.db2.gz HEBIALVPEPPAAN-CYBMUJFWSA-N 2 2 342.381 1.604 20 0 EDADLP COc1cc2nc(NC[C@H]3CC[C@H](C[NH3+])CC3)[nH+]c(N)c2cc1OC ZINC000420253386 446433214 /nfs/dbraw/zinc/43/32/14/446433214.db2.gz DMLKOLVTCANRQC-TXEJJXNPSA-N 2 2 345.447 1.828 20 0 EDADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000366969202 446434193 /nfs/dbraw/zinc/43/41/93/446434193.db2.gz JRBBPGYIESMSGL-MSOLQXFVSA-N 2 2 345.487 1.924 20 0 EDADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000366969202 446434195 /nfs/dbraw/zinc/43/41/95/446434195.db2.gz JRBBPGYIESMSGL-MSOLQXFVSA-N 2 2 345.487 1.924 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1(C)C ZINC000366898935 446403128 /nfs/dbraw/zinc/40/31/28/446403128.db2.gz AFNFGKIJDQWCTF-OAHLLOKOSA-N 2 2 348.495 1.086 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1(C)C ZINC000366898935 446403132 /nfs/dbraw/zinc/40/31/32/446403132.db2.gz AFNFGKIJDQWCTF-OAHLLOKOSA-N 2 2 348.495 1.086 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC000411122485 446404277 /nfs/dbraw/zinc/40/42/77/446404277.db2.gz AAKVOYQWXWIXCR-UHFFFAOYSA-N 2 2 332.448 1.934 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000411135553 446406968 /nfs/dbraw/zinc/40/69/68/446406968.db2.gz PLSHIPHOMCDZCO-UHFFFAOYSA-N 2 2 332.448 1.793 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000420297945 446459197 /nfs/dbraw/zinc/45/91/97/446459197.db2.gz GRVJDNVHJNBBKT-SOUVJXGZSA-N 2 2 332.366 1.307 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000420297945 446459205 /nfs/dbraw/zinc/45/92/05/446459205.db2.gz GRVJDNVHJNBBKT-SOUVJXGZSA-N 2 2 332.366 1.307 20 0 EDADLP c1cc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423234550 446459953 /nfs/dbraw/zinc/45/99/53/446459953.db2.gz QAWGBPVNVJSOBR-BRWVUGGUSA-N 3 2 331.464 1.060 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000376409857 446481020 /nfs/dbraw/zinc/48/10/20/446481020.db2.gz AQYZSMMJPMFIBN-CABCVRRESA-N 2 2 347.463 1.224 20 0 EDADLP CN(C(=O)c1ccc[nH]c1=S)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831540 446465500 /nfs/dbraw/zinc/46/55/00/446465500.db2.gz VMVMBXKSIAXDFI-AWEZNQCLSA-N 2 2 334.489 1.611 20 0 EDADLP CN(C(=O)c1ccc[nH]c1=S)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831540 446465502 /nfs/dbraw/zinc/46/55/02/446465502.db2.gz VMVMBXKSIAXDFI-AWEZNQCLSA-N 2 2 334.489 1.611 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420303755 446465981 /nfs/dbraw/zinc/46/59/81/446465981.db2.gz DHTWIUYNCVVCJV-GFCCVEGCSA-N 2 2 339.461 1.937 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420303755 446465987 /nfs/dbraw/zinc/46/59/87/446465987.db2.gz DHTWIUYNCVVCJV-GFCCVEGCSA-N 2 2 339.461 1.937 20 0 EDADLP COC(=O)c1coc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000367031280 446476233 /nfs/dbraw/zinc/47/62/33/446476233.db2.gz UPXLIWYXNFQSQX-WMLDXEAASA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1coc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000367031280 446476239 /nfs/dbraw/zinc/47/62/39/446476239.db2.gz UPXLIWYXNFQSQX-WMLDXEAASA-N 2 2 335.448 1.524 20 0 EDADLP COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420319432 446485396 /nfs/dbraw/zinc/48/53/96/446485396.db2.gz ACPDPJAPYYBGQD-CABCVRRESA-N 2 2 347.459 1.710 20 0 EDADLP COc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420319432 446485401 /nfs/dbraw/zinc/48/54/01/446485401.db2.gz ACPDPJAPYYBGQD-CABCVRRESA-N 2 2 347.459 1.710 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)CC2(C[NH3+])CC2)[NH+]2CCOCC2)c1 ZINC000423327970 446489400 /nfs/dbraw/zinc/48/94/00/446489400.db2.gz NMKSVKNTGAVXDK-QGZVFWFLSA-N 2 2 331.460 1.614 20 0 EDADLP COCC[NH2+]CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000423343344 446496559 /nfs/dbraw/zinc/49/65/59/446496559.db2.gz VYOVIPGALDPYDI-SJORKVTESA-N 2 2 341.883 1.537 20 0 EDADLP COCC[NH2+]CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000423343344 446496567 /nfs/dbraw/zinc/49/65/67/446496567.db2.gz VYOVIPGALDPYDI-SJORKVTESA-N 2 2 341.883 1.537 20 0 EDADLP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000418355198 446511710 /nfs/dbraw/zinc/51/17/10/446511710.db2.gz WQNMMCRQZDHSTH-HNNXBMFYSA-N 2 2 336.505 1.965 20 0 EDADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420347260 446520786 /nfs/dbraw/zinc/52/07/86/446520786.db2.gz GDMMMYSESYYOBJ-GDBMZVCRSA-N 2 2 346.475 1.385 20 0 EDADLP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1C ZINC000420347260 446520792 /nfs/dbraw/zinc/52/07/92/446520792.db2.gz GDMMMYSESYYOBJ-GDBMZVCRSA-N 2 2 346.475 1.385 20 0 EDADLP C[C@@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000420349130 446525915 /nfs/dbraw/zinc/52/59/15/446525915.db2.gz BTGAYEDCIDVIIX-MWLCHTKSSA-N 2 2 334.247 1.422 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000420349130 446525919 /nfs/dbraw/zinc/52/59/19/446525919.db2.gz BTGAYEDCIDVIIX-MWLCHTKSSA-N 2 2 334.247 1.422 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H](C[NH3+])C(C)C)CC2)cc(OC)c1 ZINC000433145155 446537159 /nfs/dbraw/zinc/53/71/59/446537159.db2.gz PCCHLYSPLRQUTI-GOSISDBHSA-N 2 2 349.475 1.579 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1OC ZINC000420358680 446539861 /nfs/dbraw/zinc/53/98/61/446539861.db2.gz FTLBKWCFDICJRX-BIENJYKASA-N 2 2 349.475 1.638 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C ZINC000420392124 446567542 /nfs/dbraw/zinc/56/75/42/446567542.db2.gz UHIHNSJKDMZDRE-OAHLLOKOSA-N 2 2 348.491 1.576 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C ZINC000420392124 446567546 /nfs/dbraw/zinc/56/75/46/446567546.db2.gz UHIHNSJKDMZDRE-OAHLLOKOSA-N 2 2 348.491 1.576 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000420362824 446542937 /nfs/dbraw/zinc/54/29/37/446542937.db2.gz IYVGPCQKNJCBRS-XNJGSVPQSA-N 2 2 339.867 1.811 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCc2c[nH+]c3n2CCCC3)[nH+]c1 ZINC000367423952 446543822 /nfs/dbraw/zinc/54/38/22/446543822.db2.gz OAJNHQXLLCWGHN-UHFFFAOYSA-N 2 2 342.447 2.224 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]21 ZINC000375055751 446549659 /nfs/dbraw/zinc/54/96/59/446549659.db2.gz BQBDMAFZUAKUEP-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]21 ZINC000375055751 446549662 /nfs/dbraw/zinc/54/96/62/446549662.db2.gz BQBDMAFZUAKUEP-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000420372040 446550858 /nfs/dbraw/zinc/55/08/58/446550858.db2.gz XQONZUHHPCTJMP-CVEARBPZSA-N 2 2 337.439 1.689 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000420372058 446551277 /nfs/dbraw/zinc/55/12/77/446551277.db2.gz XTZQTPYERZLBMQ-AWEZNQCLSA-N 2 2 341.477 1.542 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420371903 446551523 /nfs/dbraw/zinc/55/15/23/446551523.db2.gz DREFRYZOGDVSKP-ILXRZTDVSA-N 2 2 349.475 1.798 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420371903 446551529 /nfs/dbraw/zinc/55/15/29/446551529.db2.gz DREFRYZOGDVSKP-ILXRZTDVSA-N 2 2 349.475 1.798 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C12CCOCC2 ZINC000453257955 446552938 /nfs/dbraw/zinc/55/29/38/446552938.db2.gz HIKQFDXXRCBNRW-BRWVUGGUSA-N 2 2 326.481 1.397 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C12CCOCC2 ZINC000453257955 446552940 /nfs/dbraw/zinc/55/29/40/446552940.db2.gz HIKQFDXXRCBNRW-BRWVUGGUSA-N 2 2 326.481 1.397 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453712080 446614671 /nfs/dbraw/zinc/61/46/71/446614671.db2.gz MLOHPKXAVXMGCP-GUYCJALGSA-N 2 2 344.459 1.337 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453712080 446614675 /nfs/dbraw/zinc/61/46/75/446614675.db2.gz MLOHPKXAVXMGCP-GUYCJALGSA-N 2 2 344.459 1.337 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000420395210 446570402 /nfs/dbraw/zinc/57/04/02/446570402.db2.gz DCWYYTIJGFBETI-ZFWWWQNUSA-N 2 2 332.448 1.244 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000420395210 446570406 /nfs/dbraw/zinc/57/04/06/446570406.db2.gz DCWYYTIJGFBETI-ZFWWWQNUSA-N 2 2 332.448 1.244 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000371024755 446582600 /nfs/dbraw/zinc/58/26/00/446582600.db2.gz JCMNARRPFIJIDU-HNNXBMFYSA-N 2 2 340.493 1.596 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000371024755 446582604 /nfs/dbraw/zinc/58/26/04/446582604.db2.gz JCMNARRPFIJIDU-HNNXBMFYSA-N 2 2 340.493 1.596 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@H]([NH3+])[C@H]1C)CC2 ZINC000423636052 446618902 /nfs/dbraw/zinc/61/89/02/446618902.db2.gz AVNGOCBDQVORFO-DOMZBBRYSA-N 2 2 333.432 1.010 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@H]([NH3+])[C@H]1C)CC2 ZINC000423636052 446618907 /nfs/dbraw/zinc/61/89/07/446618907.db2.gz AVNGOCBDQVORFO-DOMZBBRYSA-N 2 2 333.432 1.010 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1CC ZINC000367747571 446585087 /nfs/dbraw/zinc/58/50/87/446585087.db2.gz UPLNZKCXEPVQQA-CABCVRRESA-N 2 2 349.479 1.409 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1CC ZINC000367747571 446585094 /nfs/dbraw/zinc/58/50/94/446585094.db2.gz UPLNZKCXEPVQQA-CABCVRRESA-N 2 2 349.479 1.409 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1CC ZINC000367747571 446585104 /nfs/dbraw/zinc/58/51/04/446585104.db2.gz UPLNZKCXEPVQQA-CABCVRRESA-N 2 2 349.479 1.409 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1CC ZINC000367747571 446585108 /nfs/dbraw/zinc/58/51/08/446585108.db2.gz UPLNZKCXEPVQQA-CABCVRRESA-N 2 2 349.479 1.409 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)CC[NH3+])on1 ZINC000418562683 446595368 /nfs/dbraw/zinc/59/53/68/446595368.db2.gz RKUNMIFBIFLMAY-UBHSHLNASA-N 2 2 341.431 1.274 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)CC[NH3+])on1 ZINC000418562683 446595374 /nfs/dbraw/zinc/59/53/74/446595374.db2.gz RKUNMIFBIFLMAY-UBHSHLNASA-N 2 2 341.431 1.274 20 0 EDADLP C[C@@H](NC(=O)NCc1c[nH+]c2n1CCCC2)[C@H](C)[NH+]1CCOCC1 ZINC000375169094 446620549 /nfs/dbraw/zinc/62/05/49/446620549.db2.gz USFBUMKDRCOQKQ-KGLIPLIRSA-N 2 2 335.452 1.128 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000368102898 446643419 /nfs/dbraw/zinc/64/34/19/446643419.db2.gz QNNRLIQUJMJOQT-KGLIPLIRSA-N 2 2 338.521 1.646 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](CCC[NH3+])c3ccccc3)C[C@@H]21 ZINC000418683834 446647573 /nfs/dbraw/zinc/64/75/73/446647573.db2.gz XLNRHQGWQNXKGA-FGTMMUONSA-N 2 2 346.475 1.581 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H](CCC[NH3+])c3ccccc3)C[C@@H]21 ZINC000418683834 446647579 /nfs/dbraw/zinc/64/75/79/446647579.db2.gz XLNRHQGWQNXKGA-FGTMMUONSA-N 2 2 346.475 1.581 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368115058 446649213 /nfs/dbraw/zinc/64/92/13/446649213.db2.gz MAPNAVMUPSIHGD-DLBZAZTESA-N 2 2 328.460 1.934 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418731078 446658069 /nfs/dbraw/zinc/65/80/69/446658069.db2.gz IKRYZCHZBWPXRQ-NUJGCVRESA-N 2 2 345.491 1.987 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000371175129 446674162 /nfs/dbraw/zinc/67/41/62/446674162.db2.gz FNJAVILMKYNDKN-KZNAEPCWSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000371175129 446674167 /nfs/dbraw/zinc/67/41/67/446674167.db2.gz FNJAVILMKYNDKN-KZNAEPCWSA-N 2 2 337.508 1.820 20 0 EDADLP [NH3+]CCC[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000418653760 446635164 /nfs/dbraw/zinc/63/51/64/446635164.db2.gz BAEUJRZXFUWPPT-KSZLIROESA-N 2 2 346.475 1.629 20 0 EDADLP [NH3+]CCC[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000418653760 446635174 /nfs/dbraw/zinc/63/51/74/446635174.db2.gz BAEUJRZXFUWPPT-KSZLIROESA-N 2 2 346.475 1.629 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000368180706 446689142 /nfs/dbraw/zinc/68/91/42/446689142.db2.gz SCMIOALFVGQMBU-INIZCTEOSA-N 2 2 333.436 1.093 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000368180706 446689151 /nfs/dbraw/zinc/68/91/51/446689151.db2.gz SCMIOALFVGQMBU-INIZCTEOSA-N 2 2 333.436 1.093 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000376750630 446696187 /nfs/dbraw/zinc/69/61/87/446696187.db2.gz UBKASXBNVZVYJF-IRXDYDNUSA-N 2 2 332.448 1.548 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3n[nH]c(=O)s3)CC2)CC1 ZINC000375297595 446701835 /nfs/dbraw/zinc/70/18/35/446701835.db2.gz VGXIRPZXNNPVIY-UHFFFAOYSA-N 2 2 325.482 1.234 20 0 EDADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1Br ZINC000423817031 446707024 /nfs/dbraw/zinc/70/70/24/446707024.db2.gz YQVRIMJIZQWYFD-ZDUSSCGKSA-N 2 2 342.237 1.438 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000423832715 446721845 /nfs/dbraw/zinc/72/18/45/446721845.db2.gz YOXBJINUKVMPGG-INIZCTEOSA-N 2 2 325.416 1.783 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423836466 446724869 /nfs/dbraw/zinc/72/48/69/446724869.db2.gz WKRHIYBWISQZDA-QOWREQOWSA-N 2 2 341.814 1.063 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423836466 446724874 /nfs/dbraw/zinc/72/48/74/446724874.db2.gz WKRHIYBWISQZDA-QOWREQOWSA-N 2 2 341.814 1.063 20 0 EDADLP COC(=O)c1occc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376799187 446726758 /nfs/dbraw/zinc/72/67/58/446726758.db2.gz NKKSVCBUCOYAHI-INIZCTEOSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1occc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376799187 446726761 /nfs/dbraw/zinc/72/67/61/446726761.db2.gz NKKSVCBUCOYAHI-INIZCTEOSA-N 2 2 335.448 1.667 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000411914444 446728246 /nfs/dbraw/zinc/72/82/46/446728246.db2.gz KDQMPKLICOGUJM-OAHLLOKOSA-N 2 2 341.415 1.236 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000411914444 446728252 /nfs/dbraw/zinc/72/82/52/446728252.db2.gz KDQMPKLICOGUJM-OAHLLOKOSA-N 2 2 341.415 1.236 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CCN1C ZINC000423881669 446740352 /nfs/dbraw/zinc/74/03/52/446740352.db2.gz WNZUUINLQTVGQQ-OWCLPIDISA-N 2 2 333.480 1.533 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423862192 446734208 /nfs/dbraw/zinc/73/42/08/446734208.db2.gz FOSUZGIIQWRIQR-FGTMMUONSA-N 2 2 335.492 1.191 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423862192 446734211 /nfs/dbraw/zinc/73/42/11/446734211.db2.gz FOSUZGIIQWRIQR-FGTMMUONSA-N 2 2 335.492 1.191 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccn(C)n3)C2)CC1 ZINC000368274727 446752268 /nfs/dbraw/zinc/75/22/68/446752268.db2.gz UQHHAQSAANPAKW-INIZCTEOSA-N 2 2 349.479 1.006 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000368281852 446757942 /nfs/dbraw/zinc/75/79/42/446757942.db2.gz OZHODDBIVUAMOU-HOTGVXAUSA-N 2 2 337.464 1.147 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000423911745 446761015 /nfs/dbraw/zinc/76/10/15/446761015.db2.gz HXOREJFIXMVXQA-BPNCWPANSA-N 2 2 326.416 1.176 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000423911745 446761021 /nfs/dbraw/zinc/76/10/21/446761021.db2.gz HXOREJFIXMVXQA-BPNCWPANSA-N 2 2 326.416 1.176 20 0 EDADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C[NH2+]CC1CC1)CC2 ZINC000423917796 446767425 /nfs/dbraw/zinc/76/74/25/446767425.db2.gz OOMUOZAAIKCPSM-OAHLLOKOSA-N 2 2 348.516 1.956 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)C[NH2+]CC1CC1)CC2 ZINC000423917796 446767426 /nfs/dbraw/zinc/76/74/26/446767426.db2.gz OOMUOZAAIKCPSM-OAHLLOKOSA-N 2 2 348.516 1.956 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000423922336 446770930 /nfs/dbraw/zinc/77/09/30/446770930.db2.gz VVIBFOLZGIQERV-KCQAQPDRSA-N 2 2 326.416 1.447 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000423922336 446770937 /nfs/dbraw/zinc/77/09/37/446770937.db2.gz VVIBFOLZGIQERV-KCQAQPDRSA-N 2 2 326.416 1.447 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C1([NH3+])CC1 ZINC000423928825 446779721 /nfs/dbraw/zinc/77/97/21/446779721.db2.gz SWXUBNNLWBLSCX-RYUDHWBXSA-N 2 2 326.441 1.314 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C1([NH3+])CC1 ZINC000423928825 446779723 /nfs/dbraw/zinc/77/97/23/446779723.db2.gz SWXUBNNLWBLSCX-RYUDHWBXSA-N 2 2 326.441 1.314 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CC[C@H](C)[NH3+])on1 ZINC000423930437 446781566 /nfs/dbraw/zinc/78/15/66/446781566.db2.gz WCCGZZZUENUODG-UBHSHLNASA-N 2 2 326.416 1.481 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CC[C@H](C)[NH3+])on1 ZINC000423930437 446781570 /nfs/dbraw/zinc/78/15/70/446781570.db2.gz WCCGZZZUENUODG-UBHSHLNASA-N 2 2 326.416 1.481 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000423930682 446781787 /nfs/dbraw/zinc/78/17/87/446781787.db2.gz LHJVYQQJGJNUED-AYBZRNKSSA-N 2 2 331.460 1.516 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000423930682 446781793 /nfs/dbraw/zinc/78/17/93/446781793.db2.gz LHJVYQQJGJNUED-AYBZRNKSSA-N 2 2 331.460 1.516 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC([NH2+]C3CCCC3)CC2)[nH+]1 ZINC000375428841 446791895 /nfs/dbraw/zinc/79/18/95/446791895.db2.gz VNOSXCHGPUTPEH-UHFFFAOYSA-N 2 2 331.464 1.814 20 0 EDADLP c1nc(N2CCC([NH2+]C3CCCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000375428841 446791900 /nfs/dbraw/zinc/79/19/00/446791900.db2.gz VNOSXCHGPUTPEH-UHFFFAOYSA-N 2 2 331.464 1.814 20 0 EDADLP C[C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1C[NH3+] ZINC000424058488 446832440 /nfs/dbraw/zinc/83/24/40/446832440.db2.gz DBTVFVPLPJUNSA-ZACQAIPSSA-N 2 2 345.491 1.035 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000454317190 446844144 /nfs/dbraw/zinc/84/41/44/446844144.db2.gz IWFKVWHLBKBMQG-KBPBESRZSA-N 2 2 335.452 1.056 20 0 EDADLP C[NH+](C)CC1(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CCCC1 ZINC000376994138 446847330 /nfs/dbraw/zinc/84/73/30/446847330.db2.gz SKADNRNNRUPIJM-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP C[NH+](C)CC1(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CCCC1 ZINC000376994138 446847340 /nfs/dbraw/zinc/84/73/40/446847340.db2.gz SKADNRNNRUPIJM-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)n1 ZINC000371467234 446875485 /nfs/dbraw/zinc/87/54/85/446875485.db2.gz XFAVJIRQRWVLDH-HNNXBMFYSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)n1 ZINC000371467234 446875493 /nfs/dbraw/zinc/87/54/93/446875493.db2.gz XFAVJIRQRWVLDH-HNNXBMFYSA-N 2 2 330.476 1.939 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000377051436 446886660 /nfs/dbraw/zinc/88/66/60/446886660.db2.gz IWMBCERLRSPIQP-HNNXBMFYSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000377051436 446886663 /nfs/dbraw/zinc/88/66/63/446886663.db2.gz IWMBCERLRSPIQP-HNNXBMFYSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000377051436 446886666 /nfs/dbraw/zinc/88/66/66/446886666.db2.gz IWMBCERLRSPIQP-HNNXBMFYSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000377051436 446886670 /nfs/dbraw/zinc/88/66/70/446886670.db2.gz IWMBCERLRSPIQP-HNNXBMFYSA-N 2 2 331.464 1.766 20 0 EDADLP COC(=O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC000420915917 446886859 /nfs/dbraw/zinc/88/68/59/446886859.db2.gz GMZZVSVTEVYPOI-YJBOKZPZSA-N 2 2 332.444 1.902 20 0 EDADLP COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C ZINC000420915917 446886868 /nfs/dbraw/zinc/88/68/68/446886868.db2.gz GMZZVSVTEVYPOI-YJBOKZPZSA-N 2 2 332.444 1.902 20 0 EDADLP NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420922954 446891492 /nfs/dbraw/zinc/89/14/92/446891492.db2.gz OZDQAKPQSSSCIX-ROUUACIJSA-N 2 2 331.460 1.653 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377058583 446893029 /nfs/dbraw/zinc/89/30/29/446893029.db2.gz XHCMCRQBNPSGIW-IAGOWNOFSA-N 2 2 344.507 1.539 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@@H]21 ZINC000371508861 446903647 /nfs/dbraw/zinc/90/36/47/446903647.db2.gz MOJZCBUWARHHRJ-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@@H]21 ZINC000371508861 446903652 /nfs/dbraw/zinc/90/36/52/446903652.db2.gz MOJZCBUWARHHRJ-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP OCC[C@H]1CSCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420938702 446912236 /nfs/dbraw/zinc/91/22/36/446912236.db2.gz PJWIEIBAWXJYKS-SFHVURJKSA-N 2 2 336.501 1.819 20 0 EDADLP OCC[C@H]1CSCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420938702 446912245 /nfs/dbraw/zinc/91/22/45/446912245.db2.gz PJWIEIBAWXJYKS-SFHVURJKSA-N 2 2 336.501 1.819 20 0 EDADLP C[C@@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C[N@@H+]1CCO ZINC000420960386 446930395 /nfs/dbraw/zinc/93/03/95/446930395.db2.gz GTXVYZAKYFQHPJ-MSOLQXFVSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C[N@H+]1CCO ZINC000420960386 446930400 /nfs/dbraw/zinc/93/04/00/446930400.db2.gz GTXVYZAKYFQHPJ-MSOLQXFVSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC000454638275 446930381 /nfs/dbraw/zinc/93/03/81/446930381.db2.gz BGSMSRQNSVQJGQ-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC000454638275 446930389 /nfs/dbraw/zinc/93/03/89/446930389.db2.gz BGSMSRQNSVQJGQ-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CCO2 ZINC000420968354 446939109 /nfs/dbraw/zinc/93/91/09/446939109.db2.gz WCWDHLSEEFSWSX-YLJYHZDGSA-N 2 2 346.471 1.899 20 0 EDADLP C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CCO2 ZINC000420968354 446939112 /nfs/dbraw/zinc/93/91/12/446939112.db2.gz WCWDHLSEEFSWSX-YLJYHZDGSA-N 2 2 346.471 1.899 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1(F)F ZINC000420977853 446952835 /nfs/dbraw/zinc/95/28/35/446952835.db2.gz SOEAJWVUZMWIQD-KRWDZBQOSA-N 2 2 340.414 1.968 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368666211 447019017 /nfs/dbraw/zinc/01/90/17/447019017.db2.gz CMTJNCIBGBRBLK-ROUUACIJSA-N 2 2 340.427 1.544 20 0 EDADLP C[NH+]1CCC(C(=O)N2CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C2)CC1 ZINC000442827075 446983383 /nfs/dbraw/zinc/98/33/83/446983383.db2.gz KPGYSVTXWZQQIS-SFHVURJKSA-N 2 2 339.480 1.251 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000377194330 446983738 /nfs/dbraw/zinc/98/37/38/446983738.db2.gz AELSRYCWRZNWRN-VDZJLULYSA-N 3 2 344.503 1.607 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000377194330 446983747 /nfs/dbraw/zinc/98/37/47/446983747.db2.gz AELSRYCWRZNWRN-VDZJLULYSA-N 3 2 344.503 1.607 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc3c2OCO3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377254784 447022575 /nfs/dbraw/zinc/02/25/75/447022575.db2.gz GIYDKEGJWWWHEX-CQSZACIVSA-N 2 2 345.443 1.656 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc3c2OCO3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377254784 447022582 /nfs/dbraw/zinc/02/25/82/447022582.db2.gz GIYDKEGJWWWHEX-CQSZACIVSA-N 2 2 345.443 1.656 20 0 EDADLP C[C@H]1CN(c2noc(-c3ccoc3)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000372472190 447072616 /nfs/dbraw/zinc/07/26/16/447072616.db2.gz LSSFIWXJBLKCTH-ZDUSSCGKSA-N 2 2 331.420 1.934 20 0 EDADLP C[C@H]1CN(c2noc(-c3ccoc3)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000372472190 447072620 /nfs/dbraw/zinc/07/26/20/447072620.db2.gz LSSFIWXJBLKCTH-ZDUSSCGKSA-N 2 2 331.420 1.934 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000413276554 447110772 /nfs/dbraw/zinc/11/07/72/447110772.db2.gz YOINEHJCCAHCJN-RDJZCZTQSA-N 2 2 341.459 2.203 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000413276554 447110781 /nfs/dbraw/zinc/11/07/81/447110781.db2.gz YOINEHJCCAHCJN-RDJZCZTQSA-N 2 2 341.459 2.203 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000413276554 447110792 /nfs/dbraw/zinc/11/07/92/447110792.db2.gz YOINEHJCCAHCJN-RDJZCZTQSA-N 2 2 341.459 2.203 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000413276554 447110802 /nfs/dbraw/zinc/11/08/02/447110802.db2.gz YOINEHJCCAHCJN-RDJZCZTQSA-N 2 2 341.459 2.203 20 0 EDADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000368804389 447118635 /nfs/dbraw/zinc/11/86/35/447118635.db2.gz DTFUGLXQLVEBOV-WSTZPKSXSA-N 2 2 343.471 1.046 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000377414996 447119026 /nfs/dbraw/zinc/11/90/26/447119026.db2.gz WRCKZIZGEJCWQV-SJORKVTESA-N 2 2 337.489 1.178 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000377414996 447119033 /nfs/dbraw/zinc/11/90/33/447119033.db2.gz WRCKZIZGEJCWQV-SJORKVTESA-N 2 2 337.489 1.178 20 0 EDADLP CC1CCN(C(=O)C2CC[NH+](Cc3c[nH+]c(N(C)C)n3C)CC2)CC1 ZINC000425331091 447119194 /nfs/dbraw/zinc/11/91/94/447119194.db2.gz WUBPOSDQECEHCA-UHFFFAOYSA-N 2 2 347.507 1.957 20 0 EDADLP CC(C)(C)[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444694512 447121939 /nfs/dbraw/zinc/12/19/39/447121939.db2.gz QNSXINFVQALFHJ-HNNXBMFYSA-N 2 2 339.505 1.389 20 0 EDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444174329 447087769 /nfs/dbraw/zinc/08/77/69/447087769.db2.gz FSOYGVLJHDTOEO-WFASDCNBSA-N 2 2 349.232 1.713 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000455234162 447092302 /nfs/dbraw/zinc/09/23/02/447092302.db2.gz VGBDEDBBCKTGDQ-CALCHBBNSA-N 2 2 346.475 1.775 20 0 EDADLP CC(C)[C@@H]1CN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC[N@@H+]1C ZINC000413257854 447099537 /nfs/dbraw/zinc/09/95/37/447099537.db2.gz GASWCNDNMUANES-OAGGEKHMSA-N 2 2 333.480 1.460 20 0 EDADLP CC(C)[C@@H]1CN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC[N@H+]1C ZINC000413257854 447099542 /nfs/dbraw/zinc/09/95/42/447099542.db2.gz GASWCNDNMUANES-OAGGEKHMSA-N 2 2 333.480 1.460 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000377451193 447140665 /nfs/dbraw/zinc/14/06/65/447140665.db2.gz KEOQNJWXXSUWGE-UHFFFAOYSA-N 2 2 333.480 1.185 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3nc(C4CC4)no3)CC2)CC1 ZINC000368831460 447143840 /nfs/dbraw/zinc/14/38/40/447143840.db2.gz AOSVPZURTGPGGV-UHFFFAOYSA-N 2 2 333.480 1.797 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)n1C ZINC000425367147 447128376 /nfs/dbraw/zinc/12/83/76/447128376.db2.gz HLWDOSJQVKRDIL-UHFFFAOYSA-N 2 2 328.482 1.179 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000375954726 447171944 /nfs/dbraw/zinc/17/19/44/447171944.db2.gz OENIVWWSKWBYLV-HOTGVXAUSA-N 2 2 336.480 1.119 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000375954726 447171948 /nfs/dbraw/zinc/17/19/48/447171948.db2.gz OENIVWWSKWBYLV-HOTGVXAUSA-N 2 2 336.480 1.119 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)CCC2 ZINC000372730664 447252239 /nfs/dbraw/zinc/25/22/39/447252239.db2.gz QCKNRCOCFZGJGN-OAHLLOKOSA-N 2 2 349.479 1.479 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000368956549 447222230 /nfs/dbraw/zinc/22/22/30/447222230.db2.gz QFICNBNMIRHFNP-CQSZACIVSA-N 2 2 335.452 1.410 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447671163 447284039 /nfs/dbraw/zinc/28/40/39/447284039.db2.gz LXGKOXZHGJDVEY-ZIAGYGMSSA-N 2 2 344.459 1.341 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000447671163 447284044 /nfs/dbraw/zinc/28/40/44/447284044.db2.gz LXGKOXZHGJDVEY-ZIAGYGMSSA-N 2 2 344.459 1.341 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000377657696 447277361 /nfs/dbraw/zinc/27/73/61/447277361.db2.gz VHVRNXOSTBODLE-YJBOKZPZSA-N 2 2 343.487 1.672 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000377657696 447277366 /nfs/dbraw/zinc/27/73/66/447277366.db2.gz VHVRNXOSTBODLE-YJBOKZPZSA-N 2 2 343.487 1.672 20 0 EDADLP COc1ccccc1[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)N(C)C ZINC000414276833 447283079 /nfs/dbraw/zinc/28/30/79/447283079.db2.gz WGIZXUINUFPKFR-MRXNPFEDSA-N 2 2 331.464 1.887 20 0 EDADLP COCC(C)(C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000494631319 447452261 /nfs/dbraw/zinc/45/22/61/447452261.db2.gz PNMYTWUSMUCYPL-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP COCC(C)(C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000494631319 447452262 /nfs/dbraw/zinc/45/22/62/447452262.db2.gz PNMYTWUSMUCYPL-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP O[C@@H](CNC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000379639211 447452792 /nfs/dbraw/zinc/45/27/92/447452792.db2.gz APWIRDNJZZDSLX-PMACEKPBSA-N 2 2 347.503 1.324 20 0 EDADLP O[C@@H](CNC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000379639211 447452798 /nfs/dbraw/zinc/45/27/98/447452798.db2.gz APWIRDNJZZDSLX-PMACEKPBSA-N 2 2 347.503 1.324 20 0 EDADLP O[C@H](CNC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000379639216 447454087 /nfs/dbraw/zinc/45/40/87/447454087.db2.gz APWIRDNJZZDSLX-WOJBJXKFSA-N 2 2 347.503 1.324 20 0 EDADLP O[C@H](CNC[C@H]1CCCC[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000379639216 447454091 /nfs/dbraw/zinc/45/40/91/447454091.db2.gz APWIRDNJZZDSLX-WOJBJXKFSA-N 2 2 347.503 1.324 20 0 EDADLP [NH3+][C@H](CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1 ZINC000419931425 447498452 /nfs/dbraw/zinc/49/84/52/447498452.db2.gz PGHCWJMIMOTIBK-HUUCEWRRSA-N 2 2 341.415 1.280 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CC[N@@H+]1C ZINC000456994524 447498822 /nfs/dbraw/zinc/49/88/22/447498822.db2.gz OHXNFGWLEXRQRZ-IRXDYDNUSA-N 2 2 349.475 1.671 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CC[N@H+]1C ZINC000456994524 447498830 /nfs/dbraw/zinc/49/88/30/447498830.db2.gz OHXNFGWLEXRQRZ-IRXDYDNUSA-N 2 2 349.475 1.671 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000456886643 447475548 /nfs/dbraw/zinc/47/55/48/447475548.db2.gz UVCHLGHYXQBCFU-HNNXBMFYSA-N 2 2 333.480 1.293 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000456886643 447475555 /nfs/dbraw/zinc/47/55/55/447475555.db2.gz UVCHLGHYXQBCFU-HNNXBMFYSA-N 2 2 333.480 1.293 20 0 EDADLP O=C(COc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCCC1 ZINC000427105254 447544479 /nfs/dbraw/zinc/54/44/79/447544479.db2.gz WSMBSWTXMICLOF-WMZOPIPTSA-N 2 2 343.471 1.872 20 0 EDADLP O=C(COc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCCC1 ZINC000427105254 447544488 /nfs/dbraw/zinc/54/44/88/447544488.db2.gz WSMBSWTXMICLOF-WMZOPIPTSA-N 2 2 343.471 1.872 20 0 EDADLP O=C([C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1)N1CC[NH2+]CC1 ZINC000420153968 447641776 /nfs/dbraw/zinc/64/17/76/447641776.db2.gz RGDIXAOQPNGHIO-LBPRGKRZSA-N 2 2 342.365 1.749 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncccc2C(=O)OC)C1 ZINC000459356438 447645381 /nfs/dbraw/zinc/64/53/81/447645381.db2.gz KMQARFFUMLDWKQ-OAHLLOKOSA-N 2 2 335.448 1.801 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncccc2C(=O)OC)C1 ZINC000459356438 447645388 /nfs/dbraw/zinc/64/53/88/447645388.db2.gz KMQARFFUMLDWKQ-OAHLLOKOSA-N 2 2 335.448 1.801 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)CCO1 ZINC000427772776 447647120 /nfs/dbraw/zinc/64/71/20/447647120.db2.gz WPSMRFMWTJLUPE-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)[NH+](C)Cc2ccccc2)CCO1 ZINC000427772776 447647126 /nfs/dbraw/zinc/64/71/26/447647126.db2.gz WPSMRFMWTJLUPE-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000427772776 447647130 /nfs/dbraw/zinc/64/71/30/447647130.db2.gz WPSMRFMWTJLUPE-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000427772776 447647135 /nfs/dbraw/zinc/64/71/35/447647135.db2.gz WPSMRFMWTJLUPE-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000457857580 447651890 /nfs/dbraw/zinc/65/18/90/447651890.db2.gz MVIBJOQAAWZWBY-GOSISDBHSA-N 2 2 342.443 1.370 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000457857580 447651894 /nfs/dbraw/zinc/65/18/94/447651894.db2.gz MVIBJOQAAWZWBY-GOSISDBHSA-N 2 2 342.443 1.370 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000416430913 447599858 /nfs/dbraw/zinc/59/98/58/447599858.db2.gz FNDWWVRNKAAMCN-KRWDZBQOSA-N 2 2 334.464 1.441 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1COCC1(C)C ZINC000459181303 447606430 /nfs/dbraw/zinc/60/64/30/447606430.db2.gz GZMZLLIJYRWZMW-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1COCC1(C)C ZINC000459181303 447606432 /nfs/dbraw/zinc/60/64/32/447606432.db2.gz GZMZLLIJYRWZMW-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP COc1ccc([C@@H](NC(=O)NCC(C)(C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000416908069 447705380 /nfs/dbraw/zinc/70/53/80/447705380.db2.gz NNVBTKKBJDWTGO-CQSZACIVSA-N 2 2 331.420 1.555 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416910011 447706359 /nfs/dbraw/zinc/70/63/59/447706359.db2.gz LHBIFDMZRYKPRE-WQVCFCJDSA-N 2 2 345.422 1.946 20 0 EDADLP CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000495948380 447667603 /nfs/dbraw/zinc/66/76/03/447667603.db2.gz UJPOOBCDIBUJCE-MRXNPFEDSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000495948380 447667608 /nfs/dbraw/zinc/66/76/08/447667608.db2.gz UJPOOBCDIBUJCE-MRXNPFEDSA-N 2 2 341.496 1.773 20 0 EDADLP CCNc1nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000420231841 447680612 /nfs/dbraw/zinc/68/06/12/447680612.db2.gz SLDSEAQDXJEPCV-RWMBFGLXSA-N 2 2 333.484 1.499 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)[nH+]1 ZINC000420231841 447680618 /nfs/dbraw/zinc/68/06/18/447680618.db2.gz SLDSEAQDXJEPCV-RWMBFGLXSA-N 2 2 333.484 1.499 20 0 EDADLP C[C@H](O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428306772 447688220 /nfs/dbraw/zinc/68/82/20/447688220.db2.gz QTUARDXNBAWOFH-ULQDDVLXSA-N 2 2 346.475 1.354 20 0 EDADLP C[C@H](O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428306772 447688227 /nfs/dbraw/zinc/68/82/27/447688227.db2.gz QTUARDXNBAWOFH-ULQDDVLXSA-N 2 2 346.475 1.354 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000410450025 447690536 /nfs/dbraw/zinc/69/05/36/447690536.db2.gz PMUATZOPJLJUFL-CABCVRRESA-N 2 2 347.463 1.262 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@H+]1C ZINC000410450025 447690542 /nfs/dbraw/zinc/69/05/42/447690542.db2.gz PMUATZOPJLJUFL-CABCVRRESA-N 2 2 347.463 1.262 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416923875 447711105 /nfs/dbraw/zinc/71/11/05/447711105.db2.gz WMMSBGHTKGAZLK-KCPJHIHWSA-N 2 2 331.395 1.780 20 0 EDADLP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422714774 447725463 /nfs/dbraw/zinc/72/54/63/447725463.db2.gz LLENYQXEUATVBK-WOJBJXKFSA-N 3 2 347.503 1.874 20 0 EDADLP OC[C@@]1(O)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000459633033 447726718 /nfs/dbraw/zinc/72/67/18/447726718.db2.gz MQTDGNVEFRGUPC-LJQANCHMSA-N 2 2 333.476 1.018 20 0 EDADLP OC[C@@]1(O)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000459633033 447726725 /nfs/dbraw/zinc/72/67/25/447726725.db2.gz MQTDGNVEFRGUPC-LJQANCHMSA-N 2 2 333.476 1.018 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000459645241 447730456 /nfs/dbraw/zinc/73/04/56/447730456.db2.gz LCVYKZJBJCERCN-JKSUJKDBSA-N 2 2 337.489 1.701 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000459645241 447730459 /nfs/dbraw/zinc/73/04/59/447730459.db2.gz LCVYKZJBJCERCN-JKSUJKDBSA-N 2 2 337.489 1.701 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000422773528 447747216 /nfs/dbraw/zinc/74/72/16/447747216.db2.gz UILGHOVBYYPUAI-LPHOPBHVSA-N 3 2 333.476 1.375 20 0 EDADLP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000422773528 447747222 /nfs/dbraw/zinc/74/72/22/447747222.db2.gz UILGHOVBYYPUAI-LPHOPBHVSA-N 2 2 333.476 1.375 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422838321 447765385 /nfs/dbraw/zinc/76/53/85/447765385.db2.gz ODTCQMGOVBHPHP-DSLXNQLJSA-N 2 2 345.487 1.780 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422838321 447765386 /nfs/dbraw/zinc/76/53/86/447765386.db2.gz ODTCQMGOVBHPHP-DSLXNQLJSA-N 2 2 345.487 1.780 20 0 EDADLP CCOc1c(OC)cc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1OC ZINC000422840241 447765919 /nfs/dbraw/zinc/76/59/19/447765919.db2.gz SKFADPOZTSITIN-UKRRQHHQSA-N 2 2 338.448 1.959 20 0 EDADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496374673 447760189 /nfs/dbraw/zinc/76/01/89/447760189.db2.gz DOJGPNVLKWQTDK-LSDHHAIUSA-N 2 2 329.485 1.975 20 0 EDADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496374673 447760192 /nfs/dbraw/zinc/76/01/92/447760192.db2.gz DOJGPNVLKWQTDK-LSDHHAIUSA-N 2 2 329.485 1.975 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496390510 447762679 /nfs/dbraw/zinc/76/26/79/447762679.db2.gz AEZYWXLKKBXTRU-UKRRQHHQSA-N 2 2 327.469 1.431 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496390510 447762685 /nfs/dbraw/zinc/76/26/85/447762685.db2.gz AEZYWXLKKBXTRU-UKRRQHHQSA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496390510 447762689 /nfs/dbraw/zinc/76/26/89/447762689.db2.gz AEZYWXLKKBXTRU-UKRRQHHQSA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496390510 447762691 /nfs/dbraw/zinc/76/26/91/447762691.db2.gz AEZYWXLKKBXTRU-UKRRQHHQSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496541543 447813295 /nfs/dbraw/zinc/81/32/95/447813295.db2.gz CIOQVUGZZFDHTD-DZKIICNBSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496541543 447813297 /nfs/dbraw/zinc/81/32/97/447813297.db2.gz CIOQVUGZZFDHTD-DZKIICNBSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000496541543 447813299 /nfs/dbraw/zinc/81/32/99/447813299.db2.gz CIOQVUGZZFDHTD-DZKIICNBSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496541543 447813301 /nfs/dbraw/zinc/81/33/01/447813301.db2.gz CIOQVUGZZFDHTD-DZKIICNBSA-N 2 2 341.496 1.677 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH3+])CC2 ZINC000422849703 447769985 /nfs/dbraw/zinc/76/99/85/447769985.db2.gz CHNBZKYVOFKKKR-GOEBONIOSA-N 2 2 347.459 1.306 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH3+])CC2 ZINC000422849703 447769986 /nfs/dbraw/zinc/76/99/86/447769986.db2.gz CHNBZKYVOFKKKR-GOEBONIOSA-N 2 2 347.459 1.306 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000422889602 447770561 /nfs/dbraw/zinc/77/05/61/447770561.db2.gz GTAVUCVJQOJKOQ-BPQIPLTHSA-N 2 2 331.460 1.707 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CCOC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000451896511 447776919 /nfs/dbraw/zinc/77/69/19/447776919.db2.gz GMYRZIJNUHWOCZ-LJQANCHMSA-N 2 2 347.459 1.426 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CCOC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000451896511 447776922 /nfs/dbraw/zinc/77/69/22/447776922.db2.gz GMYRZIJNUHWOCZ-LJQANCHMSA-N 2 2 347.459 1.426 20 0 EDADLP COc1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)ccc1OCC(=O)N(C)C ZINC000422939639 447777070 /nfs/dbraw/zinc/77/70/70/447777070.db2.gz MHJSEARQNVDUMU-GOEBONIOSA-N 2 2 349.475 1.782 20 0 EDADLP Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)sc1C ZINC000430595771 447782535 /nfs/dbraw/zinc/78/25/35/447782535.db2.gz VMXJLVZFDHRYRC-GFCCVEGCSA-N 2 2 340.493 1.917 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[N@@H+]1CCc2ccccc2C1 ZINC000422969597 447784054 /nfs/dbraw/zinc/78/40/54/447784054.db2.gz USRFNTDCVPGUQN-MXEMCNAFSA-N 3 2 343.515 1.916 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[N@H+]1CCc2ccccc2C1 ZINC000422969597 447784058 /nfs/dbraw/zinc/78/40/58/447784058.db2.gz USRFNTDCVPGUQN-MXEMCNAFSA-N 3 2 343.515 1.916 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430929310 447787896 /nfs/dbraw/zinc/78/78/96/447787896.db2.gz OTAIFKWQHMBFQE-IPYPFGDCSA-N 2 2 335.448 1.378 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430929310 447787899 /nfs/dbraw/zinc/78/78/99/447787899.db2.gz OTAIFKWQHMBFQE-IPYPFGDCSA-N 2 2 335.448 1.378 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2c[nH+]ccc2N)s1 ZINC000422998871 447789776 /nfs/dbraw/zinc/78/97/76/447789776.db2.gz RKFUZRQBHIREHA-NSHDSACASA-N 2 2 340.474 1.493 20 0 EDADLP Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1S(C)(=O)=O ZINC000423080232 447800904 /nfs/dbraw/zinc/80/09/04/447800904.db2.gz ZFFPYGFMVWVQLY-DOTOQJQBSA-N 2 2 338.473 1.255 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423101060 447805489 /nfs/dbraw/zinc/80/54/89/447805489.db2.gz HWJCXQWAOJDFIW-BZUAXINKSA-N 2 2 339.867 1.826 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000496676731 447846001 /nfs/dbraw/zinc/84/60/01/447846001.db2.gz JYCPIZOZCQGJIR-QGZVFWFLSA-N 2 2 338.452 1.585 20 0 EDADLP Cc1nc(N(C)C)nc(NCc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC000488411584 447847042 /nfs/dbraw/zinc/84/70/42/447847042.db2.gz MYWVOTILSLQXKI-UHFFFAOYSA-N 2 2 330.436 1.799 20 0 EDADLP Cc1nc(NCc2ccc(OCC[NH+](C)C)cc2)nc(N(C)C)[nH+]1 ZINC000488411584 447847043 /nfs/dbraw/zinc/84/70/43/447847043.db2.gz MYWVOTILSLQXKI-UHFFFAOYSA-N 2 2 330.436 1.799 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000550305942 447889951 /nfs/dbraw/zinc/88/99/51/447889951.db2.gz LZIZQIBWAHFIIC-GOEBONIOSA-N 2 2 345.491 1.897 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@H+]3C[C@H](C)[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000550305942 447889958 /nfs/dbraw/zinc/88/99/58/447889958.db2.gz LZIZQIBWAHFIIC-GOEBONIOSA-N 2 2 345.491 1.897 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000523651634 447895492 /nfs/dbraw/zinc/89/54/92/447895492.db2.gz YZUPCOWOBJFWCI-UHFFFAOYSA-N 2 2 347.507 1.634 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@H]2CCC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000576013695 447951580 /nfs/dbraw/zinc/95/15/80/447951580.db2.gz SODMADYMOWHAAR-ROUUACIJSA-N 2 2 346.475 1.420 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC1CC1)C1CC1 ZINC000497207736 447959880 /nfs/dbraw/zinc/95/98/80/447959880.db2.gz CZMOROJPMFMERU-CVEARBPZSA-N 2 2 325.453 1.185 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC1CC1)C1CC1 ZINC000497207736 447959885 /nfs/dbraw/zinc/95/98/85/447959885.db2.gz CZMOROJPMFMERU-CVEARBPZSA-N 2 2 325.453 1.185 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CC1)C1CC1 ZINC000497207736 447959889 /nfs/dbraw/zinc/95/98/89/447959889.db2.gz CZMOROJPMFMERU-CVEARBPZSA-N 2 2 325.453 1.185 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1)C1CC1 ZINC000497207736 447959893 /nfs/dbraw/zinc/95/98/93/447959893.db2.gz CZMOROJPMFMERU-CVEARBPZSA-N 2 2 325.453 1.185 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)[nH+]c12 ZINC000524160261 447917792 /nfs/dbraw/zinc/91/77/92/447917792.db2.gz OVZFJMWXHWUUHV-QGZVFWFLSA-N 2 2 344.459 1.658 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)[nH+]c12 ZINC000524160261 447917799 /nfs/dbraw/zinc/91/77/99/447917799.db2.gz OVZFJMWXHWUUHV-QGZVFWFLSA-N 2 2 344.459 1.658 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000569937363 447922275 /nfs/dbraw/zinc/92/22/75/447922275.db2.gz KKCIFLQZFNNWQO-HNNXBMFYSA-N 2 2 330.860 1.113 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000569937363 447922278 /nfs/dbraw/zinc/92/22/78/447922278.db2.gz KKCIFLQZFNNWQO-HNNXBMFYSA-N 2 2 330.860 1.113 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000575898525 447925216 /nfs/dbraw/zinc/92/52/16/447925216.db2.gz FYZWJFSXEINQOE-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000576134616 447982397 /nfs/dbraw/zinc/98/23/97/447982397.db2.gz WVVYJXJTLYSSEE-CQSZACIVSA-N 2 2 332.448 1.370 20 0 EDADLP CC[N@H+](CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)C1CC1 ZINC000576257904 448013480 /nfs/dbraw/zinc/01/34/80/448013480.db2.gz IMWZJICRHBBTFC-UHFFFAOYSA-N 2 2 330.436 1.130 20 0 EDADLP CC[N@@H+](CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)C1CC1 ZINC000576257904 448013483 /nfs/dbraw/zinc/01/34/83/448013483.db2.gz IMWZJICRHBBTFC-UHFFFAOYSA-N 2 2 330.436 1.130 20 0 EDADLP CCNc1nc(N2CC[C@@H](C[N@H+](C)CC)C2)nc(NC(C)(C)C)[nH+]1 ZINC000553432695 447992982 /nfs/dbraw/zinc/99/29/82/447992982.db2.gz RIMWTCOBTLBHSR-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(N2CC[C@@H](C[N@@H+](C)CC)C2)nc(NC(C)(C)C)[nH+]1 ZINC000553432695 447992990 /nfs/dbraw/zinc/99/29/90/447992990.db2.gz RIMWTCOBTLBHSR-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](C[N@H+](C)CC)C2)[nH+]1 ZINC000553432695 447992997 /nfs/dbraw/zinc/99/29/97/447992997.db2.gz RIMWTCOBTLBHSR-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](C[N@@H+](C)CC)C2)[nH+]1 ZINC000553432695 447993002 /nfs/dbraw/zinc/99/30/02/447993002.db2.gz RIMWTCOBTLBHSR-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@H](C[N@H+](C)CC)C2)n1 ZINC000553432695 447993006 /nfs/dbraw/zinc/99/30/06/447993006.db2.gz RIMWTCOBTLBHSR-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@H](C[N@@H+](C)CC)C2)n1 ZINC000553432695 447993009 /nfs/dbraw/zinc/99/30/09/447993009.db2.gz RIMWTCOBTLBHSR-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211273 447999249 /nfs/dbraw/zinc/99/92/49/447999249.db2.gz NSGBLBRUEDPUEC-NJAFHUGGSA-N 2 2 346.475 1.327 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211273 447999254 /nfs/dbraw/zinc/99/92/54/447999254.db2.gz NSGBLBRUEDPUEC-NJAFHUGGSA-N 2 2 346.475 1.327 20 0 EDADLP CC[C@@]1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])OCCc2ccccc21 ZINC000570428387 448011888 /nfs/dbraw/zinc/01/18/88/448011888.db2.gz XBVDLXKLUCEHJQ-APWZRJJASA-N 2 2 346.475 1.149 20 0 EDADLP CC[C@@]1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])OCCc2ccccc21 ZINC000570428387 448011894 /nfs/dbraw/zinc/01/18/94/448011894.db2.gz XBVDLXKLUCEHJQ-APWZRJJASA-N 2 2 346.475 1.149 20 0 EDADLP COc1cccc([C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)CC[N@@H+]2C2CC2)c1 ZINC000554332763 448023211 /nfs/dbraw/zinc/02/32/11/448023211.db2.gz OWAFXHCHUKKTQW-PKOBYXMFSA-N 2 2 340.427 1.986 20 0 EDADLP COc1cccc([C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)CC[N@H+]2C2CC2)c1 ZINC000554332763 448023219 /nfs/dbraw/zinc/02/32/19/448023219.db2.gz OWAFXHCHUKKTQW-PKOBYXMFSA-N 2 2 340.427 1.986 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCn2c[nH+]cc2C1 ZINC000576322365 448026152 /nfs/dbraw/zinc/02/61/52/448026152.db2.gz XLFRAUZSRDVLKB-UHFFFAOYSA-N 2 2 336.399 1.853 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000570567704 448031488 /nfs/dbraw/zinc/03/14/88/448031488.db2.gz MHNVJLDEEUNNRC-UONOGXRCSA-N 2 2 333.432 1.321 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000570567704 448031493 /nfs/dbraw/zinc/03/14/93/448031493.db2.gz MHNVJLDEEUNNRC-UONOGXRCSA-N 2 2 333.432 1.321 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000576343578 448032763 /nfs/dbraw/zinc/03/27/63/448032763.db2.gz AZKXIACWQKHXLP-RLFYNMQTSA-N 2 2 331.460 1.898 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000577216768 448238950 /nfs/dbraw/zinc/23/89/50/448238950.db2.gz XPGMLGIWKKAHNJ-BDUQCRIQSA-N 2 2 348.487 1.966 20 0 EDADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OCC(C)C ZINC000582431611 448239789 /nfs/dbraw/zinc/23/97/89/448239789.db2.gz KXIORAYJKXWWRU-JKSUJKDBSA-N 2 2 347.459 1.474 20 0 EDADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OCC(C)C ZINC000582431611 448239792 /nfs/dbraw/zinc/23/97/92/448239792.db2.gz KXIORAYJKXWWRU-JKSUJKDBSA-N 2 2 347.459 1.474 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)C2 ZINC000571870833 448222140 /nfs/dbraw/zinc/22/21/40/448222140.db2.gz LAVQXFYOICNMLE-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)C2 ZINC000571870833 448222144 /nfs/dbraw/zinc/22/21/44/448222144.db2.gz LAVQXFYOICNMLE-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)CC2 ZINC000571870833 448222147 /nfs/dbraw/zinc/22/21/47/448222147.db2.gz LAVQXFYOICNMLE-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)CC2 ZINC000571870833 448222150 /nfs/dbraw/zinc/22/21/50/448222150.db2.gz LAVQXFYOICNMLE-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000582477776 448247911 /nfs/dbraw/zinc/24/79/11/448247911.db2.gz MBWPMARLDUIZLM-GOSISDBHSA-N 2 2 345.491 1.187 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000582477776 448247917 /nfs/dbraw/zinc/24/79/17/448247917.db2.gz MBWPMARLDUIZLM-GOSISDBHSA-N 2 2 345.491 1.187 20 0 EDADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000577271116 448253198 /nfs/dbraw/zinc/25/31/98/448253198.db2.gz VVXCHUQXSRPIGM-SJLPKXTDSA-N 2 2 342.447 1.381 20 0 EDADLP CC(=O)Nc1cccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000515414167 448308636 /nfs/dbraw/zinc/30/86/36/448308636.db2.gz DTUIHXQSZAJPSN-IYOUNJFTSA-N 2 2 335.448 1.205 20 0 EDADLP CC(=O)Nc1cccc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000515414167 448308641 /nfs/dbraw/zinc/30/86/41/448308641.db2.gz DTUIHXQSZAJPSN-IYOUNJFTSA-N 2 2 335.448 1.205 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)COC1CCC([NH3+])CC1)C2 ZINC000515469158 448318311 /nfs/dbraw/zinc/31/83/11/448318311.db2.gz GBHIPDKXZQLVOB-SHARSMKWSA-N 2 2 348.491 1.898 20 0 EDADLP O=C1NCC[C@@]12CCC[N@@H+]2CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000572132070 448297382 /nfs/dbraw/zinc/29/73/82/448297382.db2.gz XVHSOIGCRZZKEJ-FQEVSTJZSA-N 2 2 342.487 1.553 20 0 EDADLP O=C1NCC[C@@]12CCC[N@H+]2CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000572132070 448297387 /nfs/dbraw/zinc/29/73/87/448297387.db2.gz XVHSOIGCRZZKEJ-FQEVSTJZSA-N 2 2 342.487 1.553 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)on1 ZINC000572291182 448337999 /nfs/dbraw/zinc/33/79/99/448337999.db2.gz DFQSKWZPVSRZMA-OALUTQOASA-N 2 2 344.459 1.032 20 0 EDADLP Cc1cc(CN2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)on1 ZINC000572291182 448338001 /nfs/dbraw/zinc/33/80/01/448338001.db2.gz DFQSKWZPVSRZMA-OALUTQOASA-N 2 2 344.459 1.032 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000515788559 448350106 /nfs/dbraw/zinc/35/01/06/448350106.db2.gz KKSKYPLILVDUNF-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000515788559 448350115 /nfs/dbraw/zinc/35/01/15/448350115.db2.gz KKSKYPLILVDUNF-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000591442716 448364409 /nfs/dbraw/zinc/36/44/09/448364409.db2.gz WYHJNEQPIICKGK-SJLPKXTDSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000591442716 448364419 /nfs/dbraw/zinc/36/44/19/448364419.db2.gz WYHJNEQPIICKGK-SJLPKXTDSA-N 2 2 331.460 1.395 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000527951342 448396326 /nfs/dbraw/zinc/39/63/26/448396326.db2.gz KJKDDXJWIWATNS-UKRRQHHQSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000527951342 448396327 /nfs/dbraw/zinc/39/63/27/448396327.db2.gz KJKDDXJWIWATNS-UKRRQHHQSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000527951342 448396328 /nfs/dbraw/zinc/39/63/28/448396328.db2.gz KJKDDXJWIWATNS-UKRRQHHQSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000527951342 448396329 /nfs/dbraw/zinc/39/63/29/448396329.db2.gz KJKDDXJWIWATNS-UKRRQHHQSA-N 2 2 331.464 1.973 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])Oc1ccccc1F ZINC000572499684 448396468 /nfs/dbraw/zinc/39/64/68/448396468.db2.gz WQUSOSWELZEWKQ-ZIAGYGMSSA-N 2 2 338.427 1.267 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])Oc1ccccc1F ZINC000572499684 448396473 /nfs/dbraw/zinc/39/64/73/448396473.db2.gz WQUSOSWELZEWKQ-ZIAGYGMSSA-N 2 2 338.427 1.267 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000583058091 448412015 /nfs/dbraw/zinc/41/20/15/448412015.db2.gz IFCTYVQDMDFHRE-UHFFFAOYSA-N 2 2 325.416 1.845 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566200340 448413799 /nfs/dbraw/zinc/41/37/99/448413799.db2.gz PXDMROYLNVLHLX-QGZVFWFLSA-N 2 2 341.459 1.133 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566200340 448413805 /nfs/dbraw/zinc/41/38/05/448413805.db2.gz PXDMROYLNVLHLX-QGZVFWFLSA-N 2 2 341.459 1.133 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000572603880 448420985 /nfs/dbraw/zinc/42/09/85/448420985.db2.gz PMJFEZGONRIXEK-OWCLPIDISA-N 2 2 332.448 1.743 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000572603880 448420988 /nfs/dbraw/zinc/42/09/88/448420988.db2.gz PMJFEZGONRIXEK-OWCLPIDISA-N 2 2 332.448 1.743 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000566250354 448430043 /nfs/dbraw/zinc/43/00/43/448430043.db2.gz UGNSONWRZJRLRP-RVKKMQEKSA-N 2 2 331.460 1.441 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000566250354 448430047 /nfs/dbraw/zinc/43/00/47/448430047.db2.gz UGNSONWRZJRLRP-RVKKMQEKSA-N 2 2 331.460 1.441 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]c2c(O)cccc12 ZINC000528129547 448439329 /nfs/dbraw/zinc/43/93/29/448439329.db2.gz HIHFETBSTBJKPP-IBGZPJMESA-N 2 2 343.427 1.968 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]c2c(O)cccc12 ZINC000528129547 448439333 /nfs/dbraw/zinc/43/93/33/448439333.db2.gz HIHFETBSTBJKPP-IBGZPJMESA-N 2 2 343.427 1.968 20 0 EDADLP COc1ccc(CCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000516767974 448470836 /nfs/dbraw/zinc/47/08/36/448470836.db2.gz FBRSKBMMBMYTGK-HNNXBMFYSA-N 2 2 335.448 1.128 20 0 EDADLP COc1ccc(CCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000516767974 448470842 /nfs/dbraw/zinc/47/08/42/448470842.db2.gz FBRSKBMMBMYTGK-HNNXBMFYSA-N 2 2 335.448 1.128 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(-n3cccn3)c(F)c2)[C@@H](C[NH3+])C1 ZINC000578166925 448475727 /nfs/dbraw/zinc/47/57/27/448475727.db2.gz FUYPQZARUACWDN-ZDUSSCGKSA-N 2 2 332.383 1.118 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(-n3cccn3)c(F)c2)[C@@H](C[NH3+])C1 ZINC000578166925 448475730 /nfs/dbraw/zinc/47/57/30/448475730.db2.gz FUYPQZARUACWDN-ZDUSSCGKSA-N 2 2 332.383 1.118 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572855362 448483035 /nfs/dbraw/zinc/48/30/35/448483035.db2.gz NWPXTGGAQIGMSM-KBAYOESNSA-N 2 2 346.475 1.185 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572855362 448483037 /nfs/dbraw/zinc/48/30/37/448483037.db2.gz NWPXTGGAQIGMSM-KBAYOESNSA-N 2 2 346.475 1.185 20 0 EDADLP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584340357 448489299 /nfs/dbraw/zinc/48/92/99/448489299.db2.gz RSJRSYXDTMCION-MSOLQXFVSA-N 2 2 346.475 1.410 20 0 EDADLP [NH3+]C[C@H]1CCCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584340357 448489301 /nfs/dbraw/zinc/48/93/01/448489301.db2.gz RSJRSYXDTMCION-MSOLQXFVSA-N 2 2 346.475 1.410 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn2c1 ZINC000584381917 448502108 /nfs/dbraw/zinc/50/21/08/448502108.db2.gz TXSCXYCRHGYEME-UHFFFAOYSA-N 3 2 346.479 1.278 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc2c(c1)OCO2 ZINC000591868388 448513974 /nfs/dbraw/zinc/51/39/74/448513974.db2.gz ZBVHIJARFZZTKO-AWEZNQCLSA-N 2 2 328.372 1.887 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc2c(c1)OCO2 ZINC000591868388 448513978 /nfs/dbraw/zinc/51/39/78/448513978.db2.gz ZBVHIJARFZZTKO-AWEZNQCLSA-N 2 2 328.372 1.887 20 0 EDADLP C[C@H](c1cccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)c1)[NH+]1CCOCC1 ZINC000566666530 448531733 /nfs/dbraw/zinc/53/17/33/448531733.db2.gz QGHAXDXRCHTFNJ-PBHICJAKSA-N 2 2 348.447 1.190 20 0 EDADLP Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2=O)cc1 ZINC000517231477 448558113 /nfs/dbraw/zinc/55/81/13/448558113.db2.gz JOTWEXXNGHYDNS-QZTJIDSGSA-N 2 2 331.460 1.141 20 0 EDADLP Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2=O)cc1 ZINC000517231477 448558115 /nfs/dbraw/zinc/55/81/15/448558115.db2.gz JOTWEXXNGHYDNS-QZTJIDSGSA-N 2 2 331.460 1.141 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000566863340 448573648 /nfs/dbraw/zinc/57/36/48/448573648.db2.gz RZMILDZRLCXNAB-CVEARBPZSA-N 2 2 338.427 1.334 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000566863340 448573654 /nfs/dbraw/zinc/57/36/54/448573654.db2.gz RZMILDZRLCXNAB-CVEARBPZSA-N 2 2 338.427 1.334 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000566863340 448573661 /nfs/dbraw/zinc/57/36/61/448573661.db2.gz RZMILDZRLCXNAB-CVEARBPZSA-N 2 2 338.427 1.334 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000566863340 448573668 /nfs/dbraw/zinc/57/36/68/448573668.db2.gz RZMILDZRLCXNAB-CVEARBPZSA-N 2 2 338.427 1.334 20 0 EDADLP O=C(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)Nc1ccc(F)c(F)c1F ZINC000584584938 448577373 /nfs/dbraw/zinc/57/73/73/448577373.db2.gz NOOJDCRNKPWDRY-LRDDRELGSA-N 2 2 343.349 1.399 20 0 EDADLP C[C@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)n1cc[nH+]c1 ZINC000517154234 448545303 /nfs/dbraw/zinc/54/53/03/448545303.db2.gz LWTDOJXQOMXLAR-CQSZACIVSA-N 2 2 332.408 1.002 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000539791909 448621381 /nfs/dbraw/zinc/62/13/81/448621381.db2.gz DTRAWGYDIZSHPW-ZDUSSCGKSA-N 2 2 328.420 1.465 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000566922594 448587089 /nfs/dbraw/zinc/58/70/89/448587089.db2.gz TYEVIVLDVXXSLJ-INIZCTEOSA-N 2 2 349.475 1.658 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000566922594 448587090 /nfs/dbraw/zinc/58/70/90/448587090.db2.gz TYEVIVLDVXXSLJ-INIZCTEOSA-N 2 2 349.475 1.658 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nn(C)c2ccccc21 ZINC000528562821 448589626 /nfs/dbraw/zinc/58/96/26/448589626.db2.gz ZLDMYXYREVHJLD-UHFFFAOYSA-N 2 2 343.475 1.671 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nn(C)c2ccccc21 ZINC000528562821 448589629 /nfs/dbraw/zinc/58/96/29/448589629.db2.gz ZLDMYXYREVHJLD-UHFFFAOYSA-N 2 2 343.475 1.671 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000528730861 448649150 /nfs/dbraw/zinc/64/91/50/448649150.db2.gz VCIUODWMBHRHPF-SFHVURJKSA-N 2 2 336.451 1.916 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@]2(C)Br)CC1 ZINC000528782331 448674962 /nfs/dbraw/zinc/67/49/62/448674962.db2.gz JMGQJRFMAJJVAR-JSGCOSHPSA-N 2 2 332.286 1.302 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2CC23CCSCC3)C[C@H](C)O1 ZINC000567378278 448680633 /nfs/dbraw/zinc/68/06/33/448680633.db2.gz VTDLXFHEBOJJSU-QKPAOTATSA-N 2 2 328.522 1.579 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2CC23CCSCC3)C[C@H](C)O1 ZINC000567378278 448680635 /nfs/dbraw/zinc/68/06/35/448680635.db2.gz VTDLXFHEBOJJSU-QKPAOTATSA-N 2 2 328.522 1.579 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000519175661 448750292 /nfs/dbraw/zinc/75/02/92/448750292.db2.gz YWFHFLUFHWZMMJ-IKGGRYGDSA-N 2 2 326.481 1.743 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000519175661 448750295 /nfs/dbraw/zinc/75/02/95/448750295.db2.gz YWFHFLUFHWZMMJ-IKGGRYGDSA-N 2 2 326.481 1.743 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000519175661 448750297 /nfs/dbraw/zinc/75/02/97/448750297.db2.gz YWFHFLUFHWZMMJ-IKGGRYGDSA-N 2 2 326.481 1.743 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000519175661 448750299 /nfs/dbraw/zinc/75/02/99/448750299.db2.gz YWFHFLUFHWZMMJ-IKGGRYGDSA-N 2 2 326.481 1.743 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000519176964 448750407 /nfs/dbraw/zinc/75/04/07/448750407.db2.gz OSYUZQLEASPYTF-JKSUJKDBSA-N 2 2 336.432 1.491 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000519176964 448750409 /nfs/dbraw/zinc/75/04/09/448750409.db2.gz OSYUZQLEASPYTF-JKSUJKDBSA-N 2 2 336.432 1.491 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000519176964 448750414 /nfs/dbraw/zinc/75/04/14/448750414.db2.gz OSYUZQLEASPYTF-JKSUJKDBSA-N 2 2 336.432 1.491 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000519176964 448750419 /nfs/dbraw/zinc/75/04/19/448750419.db2.gz OSYUZQLEASPYTF-JKSUJKDBSA-N 2 2 336.432 1.491 20 0 EDADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568078431 448812041 /nfs/dbraw/zinc/81/20/41/448812041.db2.gz QSWUDPBVAVQBJL-WCVJEAGWSA-N 2 2 330.469 1.166 20 0 EDADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568078431 448812044 /nfs/dbraw/zinc/81/20/44/448812044.db2.gz QSWUDPBVAVQBJL-WCVJEAGWSA-N 2 2 330.469 1.166 20 0 EDADLP CCN1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000579511494 448812616 /nfs/dbraw/zinc/81/26/16/448812616.db2.gz IVVZBCQHZDQLCF-HZPDHXFCSA-N 2 2 333.480 1.879 20 0 EDADLP CCN1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000579511494 448812618 /nfs/dbraw/zinc/81/26/18/448812618.db2.gz IVVZBCQHZDQLCF-HZPDHXFCSA-N 2 2 333.480 1.879 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N[C@H]2CCC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000574021482 448771655 /nfs/dbraw/zinc/77/16/55/448771655.db2.gz TVDWWQUWXVUROO-YOEHRIQHSA-N 2 2 332.448 1.953 20 0 EDADLP CC1CCC([NH+]2CCN(C(=O)NCCc3cn(C)c[nH+]3)CC2)CC1 ZINC000579563580 448821038 /nfs/dbraw/zinc/82/10/38/448821038.db2.gz PEEXSICHGHXKQC-UHFFFAOYSA-N 2 2 333.480 1.869 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)n1C ZINC000568254676 448845768 /nfs/dbraw/zinc/84/57/68/448845768.db2.gz HVGKOCHGAZSJAR-AWEZNQCLSA-N 2 2 338.839 1.669 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000568166850 448827939 /nfs/dbraw/zinc/82/79/39/448827939.db2.gz VPRQBCOHVBBICJ-GXTWGEPZSA-N 2 2 326.437 1.676 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000568166850 448827944 /nfs/dbraw/zinc/82/79/44/448827944.db2.gz VPRQBCOHVBBICJ-GXTWGEPZSA-N 2 2 326.437 1.676 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)[C@@H]1SC ZINC000592527427 448878098 /nfs/dbraw/zinc/87/80/98/448878098.db2.gz GOLXBMXOMYRSCK-INMHGKMJSA-N 2 2 344.521 1.903 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592487254 448858528 /nfs/dbraw/zinc/85/85/28/448858528.db2.gz SDFNMNFWCOAYIA-KSSFIOAISA-N 2 2 336.480 1.609 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592487254 448858530 /nfs/dbraw/zinc/85/85/30/448858530.db2.gz SDFNMNFWCOAYIA-KSSFIOAISA-N 2 2 336.480 1.609 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC[C@H]1[NH3+] ZINC000592488290 448859842 /nfs/dbraw/zinc/85/98/42/448859842.db2.gz JHUCBUARWFRILB-YRGRVCCFSA-N 2 2 336.411 1.922 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC[C@H]1[NH3+] ZINC000592488290 448859847 /nfs/dbraw/zinc/85/98/47/448859847.db2.gz JHUCBUARWFRILB-YRGRVCCFSA-N 2 2 336.411 1.922 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1F)C[NH+]1CCOCC1 ZINC000579943846 448914889 /nfs/dbraw/zinc/91/48/89/448914889.db2.gz UURYMIMZYRHVJQ-CABCVRRESA-N 2 2 326.412 1.123 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000529663345 448919179 /nfs/dbraw/zinc/91/91/79/448919179.db2.gz JYQGVXXKSHRZQT-UHFFFAOYSA-N 2 2 345.443 1.704 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000574647788 448924659 /nfs/dbraw/zinc/92/46/59/448924659.db2.gz YSQRUDCRLSYXEF-SOLBZPMBSA-N 3 2 327.513 1.168 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000574647788 448924662 /nfs/dbraw/zinc/92/46/62/448924662.db2.gz YSQRUDCRLSYXEF-SOLBZPMBSA-N 3 2 327.513 1.168 20 0 EDADLP C[C@@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)n1cc[nH+]c1 ZINC000574761244 448950933 /nfs/dbraw/zinc/95/09/33/448950933.db2.gz CPCCJJDQXURPIZ-GOEBONIOSA-N 2 2 338.477 1.158 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547953146 448953287 /nfs/dbraw/zinc/95/32/87/448953287.db2.gz IPFNOTBADOATDX-INIZCTEOSA-N 2 2 327.432 1.759 20 0 EDADLP CN(C)[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000574804115 448959834 /nfs/dbraw/zinc/95/98/34/448959834.db2.gz XUPNSSNRYSJWIW-RHSMWYFYSA-N 2 2 325.884 1.987 20 0 EDADLP CN(C)[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804115 448959840 /nfs/dbraw/zinc/95/98/40/448959840.db2.gz XUPNSSNRYSJWIW-RHSMWYFYSA-N 2 2 325.884 1.987 20 0 EDADLP C[NH+](C)[C@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804115 448959845 /nfs/dbraw/zinc/95/98/45/448959845.db2.gz XUPNSSNRYSJWIW-RHSMWYFYSA-N 2 2 325.884 1.987 20 0 EDADLP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000574860792 448972355 /nfs/dbraw/zinc/97/23/55/448972355.db2.gz DXUMQVSHHAPYBN-ZWKOTPCHSA-N 2 2 346.475 1.583 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC(C)C ZINC000521360337 448974464 /nfs/dbraw/zinc/97/44/64/448974464.db2.gz RBZSHYAQDISRGV-AWEZNQCLSA-N 2 2 336.436 1.589 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC(C)C ZINC000521360337 448974468 /nfs/dbraw/zinc/97/44/68/448974468.db2.gz RBZSHYAQDISRGV-AWEZNQCLSA-N 2 2 336.436 1.589 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cn2ccccc2n1 ZINC000574708574 448938857 /nfs/dbraw/zinc/93/88/57/448938857.db2.gz RFAPBAXTFYEYNW-OAHLLOKOSA-N 2 2 343.475 1.928 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)c[nH+]2)CC1 ZINC000569333370 449002964 /nfs/dbraw/zinc/00/29/64/449002964.db2.gz OWDFEGDPBFCWIK-MRXNPFEDSA-N 2 2 347.463 1.106 20 0 EDADLP COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000589209083 448988227 /nfs/dbraw/zinc/98/82/27/448988227.db2.gz LEGUBHVJWXFAOH-INIZCTEOSA-N 2 2 336.432 1.391 20 0 EDADLP COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000589209083 448988230 /nfs/dbraw/zinc/98/82/30/448988230.db2.gz LEGUBHVJWXFAOH-INIZCTEOSA-N 2 2 336.432 1.391 20 0 EDADLP C[C@@H](C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)CS(C)(=O)=O ZINC000548664595 449074955 /nfs/dbraw/zinc/07/49/55/449074955.db2.gz PQFDFCPHGWJNKF-KBPBESRZSA-N 2 2 325.478 1.689 20 0 EDADLP C[C@@H](C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)CS(C)(=O)=O ZINC000548664595 449074959 /nfs/dbraw/zinc/07/49/59/449074959.db2.gz PQFDFCPHGWJNKF-KBPBESRZSA-N 2 2 325.478 1.689 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000575121441 449040415 /nfs/dbraw/zinc/04/04/15/449040415.db2.gz PWIFYEFBCCBIGA-HOCLYGCPSA-N 2 2 333.432 1.078 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000593870777 449250984 /nfs/dbraw/zinc/25/09/84/449250984.db2.gz XDMJERNTJTYARK-ZIAGYGMSSA-N 2 2 328.420 1.655 20 0 EDADLP C[NH+](C)CCCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000604631222 449265814 /nfs/dbraw/zinc/26/58/14/449265814.db2.gz QDKSAEVAICKURZ-CQSZACIVSA-N 2 2 328.407 1.818 20 0 EDADLP CN(C)c1ncccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602195942 449424362 /nfs/dbraw/zinc/42/43/62/449424362.db2.gz PHWMEZKQYNEUBU-AWEZNQCLSA-N 2 2 331.464 1.046 20 0 EDADLP CN(C)c1ncccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602195942 449424366 /nfs/dbraw/zinc/42/43/66/449424366.db2.gz PHWMEZKQYNEUBU-AWEZNQCLSA-N 2 2 331.464 1.046 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000617008193 449426527 /nfs/dbraw/zinc/42/65/27/449426527.db2.gz DDSKVGDKUBLIHT-INIZCTEOSA-N 2 2 346.475 1.516 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000617008193 449426534 /nfs/dbraw/zinc/42/65/34/449426534.db2.gz DDSKVGDKUBLIHT-INIZCTEOSA-N 2 2 346.475 1.516 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000596170197 449394670 /nfs/dbraw/zinc/39/46/70/449394670.db2.gz XWQOAXZKJSHBMX-UHFFFAOYSA-N 2 2 326.400 1.827 20 0 EDADLP COC(=O)c1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)n2c1CCCC2 ZINC000598671529 449533706 /nfs/dbraw/zinc/53/37/06/449533706.db2.gz UACZIKCXIZNIDV-UHFFFAOYSA-N 2 2 349.475 1.500 20 0 EDADLP COC(=O)c1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)n2c1CCCC2 ZINC000598671529 449533710 /nfs/dbraw/zinc/53/37/10/449533710.db2.gz UACZIKCXIZNIDV-UHFFFAOYSA-N 2 2 349.475 1.500 20 0 EDADLP COc1cccc([C@@H](OC)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000611973415 449499010 /nfs/dbraw/zinc/49/90/10/449499010.db2.gz IHJMBAFETQJJCI-GOSISDBHSA-N 2 2 349.475 1.525 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)n2c1CCCC2 ZINC000598631499 449508293 /nfs/dbraw/zinc/50/82/93/449508293.db2.gz UVGHWDUMUUNHKR-OAHLLOKOSA-N 2 2 335.448 1.157 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)n2c1CCCC2 ZINC000598643650 449514238 /nfs/dbraw/zinc/51/42/38/449514238.db2.gz GCAZEGOMANJBGL-OAHLLOKOSA-N 2 2 349.475 1.547 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)n2c1CCCC2 ZINC000598643650 449514246 /nfs/dbraw/zinc/51/42/46/449514246.db2.gz GCAZEGOMANJBGL-OAHLLOKOSA-N 2 2 349.475 1.547 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CC3)C2)cc(OC)c1 ZINC000612197025 449602351 /nfs/dbraw/zinc/60/23/51/449602351.db2.gz RRYDJFLWFLKEDA-OAHLLOKOSA-N 2 2 347.459 1.489 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CC3)C2)cc(OC)c1 ZINC000612197025 449602354 /nfs/dbraw/zinc/60/23/54/449602354.db2.gz RRYDJFLWFLKEDA-OAHLLOKOSA-N 2 2 347.459 1.489 20 0 EDADLP CCc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000607379210 449606405 /nfs/dbraw/zinc/60/64/05/449606405.db2.gz QYCBEKHOXUBXCM-CQSZACIVSA-N 2 2 335.452 1.205 20 0 EDADLP CCc1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000607379210 449606411 /nfs/dbraw/zinc/60/64/11/449606411.db2.gz QYCBEKHOXUBXCM-CQSZACIVSA-N 2 2 335.452 1.205 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2O1 ZINC000612400511 449679802 /nfs/dbraw/zinc/67/98/02/449679802.db2.gz NMIGQRMFFAKXAL-KBPBESRZSA-N 2 2 340.427 1.870 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc2O1 ZINC000612400511 449679806 /nfs/dbraw/zinc/67/98/06/449679806.db2.gz NMIGQRMFFAKXAL-KBPBESRZSA-N 2 2 340.427 1.870 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000607733327 449642196 /nfs/dbraw/zinc/64/21/96/449642196.db2.gz QMSZHXAMVDFFRQ-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](CCO)C1 ZINC000607733327 449642203 /nfs/dbraw/zinc/64/22/03/449642203.db2.gz QMSZHXAMVDFFRQ-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP COC(=O)c1cccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000602602997 449699441 /nfs/dbraw/zinc/69/94/41/449699441.db2.gz PPVOMGHMTWVMIR-UHFFFAOYSA-N 2 2 340.383 1.530 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)CO1 ZINC000617738543 449803787 /nfs/dbraw/zinc/80/37/87/449803787.db2.gz QFJYCTVQNOCHBD-HZPDHXFCSA-N 2 2 342.443 1.770 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)CO1 ZINC000617738543 449803798 /nfs/dbraw/zinc/80/37/98/449803798.db2.gz QFJYCTVQNOCHBD-HZPDHXFCSA-N 2 2 342.443 1.770 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C(F)(F)F)CCOCC1 ZINC000617763176 449821968 /nfs/dbraw/zinc/82/19/68/449821968.db2.gz IKJOFQKZFYXDKW-UHFFFAOYSA-N 2 2 339.402 1.345 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C(F)(F)F)CCOCC1 ZINC000617763176 449821972 /nfs/dbraw/zinc/82/19/72/449821972.db2.gz IKJOFQKZFYXDKW-UHFFFAOYSA-N 2 2 339.402 1.345 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000617765119 449826070 /nfs/dbraw/zinc/82/60/70/449826070.db2.gz UOGOPNJQODHGHX-QGZVFWFLSA-N 2 2 333.476 1.812 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000617765119 449826076 /nfs/dbraw/zinc/82/60/76/449826076.db2.gz UOGOPNJQODHGHX-QGZVFWFLSA-N 2 2 333.476 1.812 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)CO1 ZINC000617731212 449792233 /nfs/dbraw/zinc/79/22/33/449792233.db2.gz WXRHQLXMQLXOLF-BBWFWOEESA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)CO1 ZINC000617731212 449792238 /nfs/dbraw/zinc/79/22/38/449792238.db2.gz WXRHQLXMQLXOLF-BBWFWOEESA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](C)CO1 ZINC000617731212 449792243 /nfs/dbraw/zinc/79/22/43/449792243.db2.gz WXRHQLXMQLXOLF-BBWFWOEESA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](C)CO1 ZINC000617731212 449792249 /nfs/dbraw/zinc/79/22/49/449792249.db2.gz WXRHQLXMQLXOLF-BBWFWOEESA-N 2 2 337.508 1.866 20 0 EDADLP CCc1oc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C(=O)OC ZINC000597226049 449881606 /nfs/dbraw/zinc/88/16/06/449881606.db2.gz KMUCVCJKBQRIHT-AWEZNQCLSA-N 2 2 336.432 1.972 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617975706 449958238 /nfs/dbraw/zinc/95/82/38/449958238.db2.gz AAYXTISSTLTAGP-UHFFFAOYSA-N 2 2 327.432 1.386 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617978295 449959440 /nfs/dbraw/zinc/95/94/40/449959440.db2.gz YAARGKXLIZTRHJ-UHFFFAOYSA-N 2 2 327.432 1.697 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609157416 449971336 /nfs/dbraw/zinc/97/13/36/449971336.db2.gz LJHNFYQDTDUQHH-INIZCTEOSA-N 2 2 342.399 1.945 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609157416 449971345 /nfs/dbraw/zinc/97/13/45/449971345.db2.gz LJHNFYQDTDUQHH-INIZCTEOSA-N 2 2 342.399 1.945 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)C2 ZINC000615601378 450158579 /nfs/dbraw/zinc/15/85/79/450158579.db2.gz IHWOJCAVFMIQNZ-HKUYNNGSSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)C2 ZINC000615601378 450158585 /nfs/dbraw/zinc/15/85/85/450158585.db2.gz IHWOJCAVFMIQNZ-HKUYNNGSSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C2 ZINC000615601378 450158592 /nfs/dbraw/zinc/15/85/92/450158592.db2.gz IHWOJCAVFMIQNZ-HKUYNNGSSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C2 ZINC000615601378 450158596 /nfs/dbraw/zinc/15/85/96/450158596.db2.gz IHWOJCAVFMIQNZ-HKUYNNGSSA-N 2 2 335.492 1.574 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000603833429 450356354 /nfs/dbraw/zinc/35/63/54/450356354.db2.gz MTHAXZRYZYSHSI-NWANDNLSSA-N 2 2 331.416 1.260 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000618988888 450363426 /nfs/dbraw/zinc/36/34/26/450363426.db2.gz HOATULFJQCREPB-CQSZACIVSA-N 2 2 328.420 1.513 20 0 EDADLP C[NH+]1CCN(c2cc(C(=O)Nc3ccc4[nH+]ccn4c3)ccn2)CC1 ZINC000603881625 450364480 /nfs/dbraw/zinc/36/44/80/450364480.db2.gz IMDVGJODVYLJPG-UHFFFAOYSA-N 2 2 336.399 1.733 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000623271341 450473455 /nfs/dbraw/zinc/47/34/55/450473455.db2.gz YROKOBLHMUERCB-WBVHZDCISA-N 2 2 342.468 1.714 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)Cn1c[nH+]c2c1CCCC2)C(C)(C)CO ZINC000616865281 450503073 /nfs/dbraw/zinc/50/30/73/450503073.db2.gz SDEGCEOPPRCCJI-INIZCTEOSA-N 2 2 345.447 1.371 20 0 EDADLP OC1CC[NH+](CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623372973 450507767 /nfs/dbraw/zinc/50/77/67/450507767.db2.gz NSJJCTQLNNZLSZ-UHFFFAOYSA-N 2 2 333.411 1.343 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000625869678 450524919 /nfs/dbraw/zinc/52/49/19/450524919.db2.gz BGDCBKYVQOZPJV-OCCSQVGLSA-N 2 2 333.436 1.489 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000625962592 450544927 /nfs/dbraw/zinc/54/49/27/450544927.db2.gz HIHGKDMDJXFKBB-DLBZAZTESA-N 2 2 330.476 1.944 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000625962592 450544929 /nfs/dbraw/zinc/54/49/29/450544929.db2.gz HIHGKDMDJXFKBB-DLBZAZTESA-N 2 2 330.476 1.944 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623590172 450547989 /nfs/dbraw/zinc/54/79/89/450547989.db2.gz HLWTYHFIUQXWDQ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623590172 450547990 /nfs/dbraw/zinc/54/79/90/450547990.db2.gz HLWTYHFIUQXWDQ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623590172 450547992 /nfs/dbraw/zinc/54/79/92/450547992.db2.gz HLWTYHFIUQXWDQ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623590172 450547994 /nfs/dbraw/zinc/54/79/94/450547994.db2.gz HLWTYHFIUQXWDQ-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cccc3cnccc32)CC1 ZINC000625993784 450550324 /nfs/dbraw/zinc/55/03/24/450550324.db2.gz KQJUZMOQTRQEQO-UHFFFAOYSA-N 2 2 340.471 1.920 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000626042832 450560368 /nfs/dbraw/zinc/56/03/68/450560368.db2.gz VNDHFZSJLGHDRN-JENIJYKNSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000626042832 450560371 /nfs/dbraw/zinc/56/03/71/450560371.db2.gz VNDHFZSJLGHDRN-JENIJYKNSA-N 2 2 345.487 1.595 20 0 EDADLP CN(C)[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1c[nH+]cn1C ZINC000620935567 450564363 /nfs/dbraw/zinc/56/43/63/450564363.db2.gz QPTSUJUHUXSORP-KRWDZBQOSA-N 2 2 333.480 1.261 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000626087725 450572843 /nfs/dbraw/zinc/57/28/43/450572843.db2.gz ZCLVSTRIPFWJIW-UHFFFAOYSA-N 2 2 331.460 1.862 20 0 EDADLP NC(=O)C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000626076777 450569292 /nfs/dbraw/zinc/56/92/92/450569292.db2.gz VRJUMKBPRAHCIF-GOSISDBHSA-N 2 2 331.460 1.749 20 0 EDADLP NC(=O)C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000626076777 450569295 /nfs/dbraw/zinc/56/92/95/450569295.db2.gz VRJUMKBPRAHCIF-GOSISDBHSA-N 2 2 331.460 1.749 20 0 EDADLP [NH3+][C@H]1CCCCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000633012437 450610268 /nfs/dbraw/zinc/61/02/68/450610268.db2.gz DYKFRGDKLASSLQ-AWEZNQCLSA-N 2 2 341.415 1.541 20 0 EDADLP C[C@@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCOCC1 ZINC000623985665 450660956 /nfs/dbraw/zinc/66/09/56/450660956.db2.gz YNIZDVMBOXNJNR-AWEZNQCLSA-N 2 2 325.416 2.263 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000635141246 450687513 /nfs/dbraw/zinc/68/75/13/450687513.db2.gz PQDQDIDMLMQAMJ-AEFFLSMTSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000635141246 450687514 /nfs/dbraw/zinc/68/75/14/450687514.db2.gz PQDQDIDMLMQAMJ-AEFFLSMTSA-N 2 2 331.460 1.518 20 0 EDADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085842 450700910 /nfs/dbraw/zinc/70/09/10/450700910.db2.gz FXGYXJAIJKEBRI-KDOFPFPSSA-N 2 2 343.475 1.813 20 0 EDADLP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085842 450700912 /nfs/dbraw/zinc/70/09/12/450700912.db2.gz FXGYXJAIJKEBRI-KDOFPFPSSA-N 2 2 343.475 1.813 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631666353 450704380 /nfs/dbraw/zinc/70/43/80/450704380.db2.gz XMCYGDRUFDRILS-UHFFFAOYSA-N 2 2 339.505 1.394 20 0 EDADLP COc1cc(CCC[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc(OC)c1O ZINC000621391572 450713097 /nfs/dbraw/zinc/71/30/97/450713097.db2.gz KOWJEGLNVHXXMH-UHFFFAOYSA-N 2 2 348.447 1.931 20 0 EDADLP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000629522145 450725304 /nfs/dbraw/zinc/72/53/04/450725304.db2.gz WEPGOIHEBVZFJO-NSHDSACASA-N 2 2 330.425 1.388 20 0 EDADLP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000629555403 450733755 /nfs/dbraw/zinc/73/37/55/450733755.db2.gz XUTRXEXXKBRHIL-LJQANCHMSA-N 3 2 333.476 1.065 20 0 EDADLP O[C@H](C[NH2+]Cc1ccnc(OCC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000629556224 450734758 /nfs/dbraw/zinc/73/47/58/450734758.db2.gz USIIVFFFJTWKGS-CYBMUJFWSA-N 2 2 333.354 1.569 20 0 EDADLP Cc1ccc(-c2csc(NC(=O)C[N@H+](C)CCOCC[NH3+])n2)cc1 ZINC000629578176 450745096 /nfs/dbraw/zinc/74/50/96/450745096.db2.gz NRYBNKZZDGLAOZ-UHFFFAOYSA-N 2 2 348.472 1.964 20 0 EDADLP Cc1ccc(-c2csc(NC(=O)C[N@@H+](C)CCOCC[NH3+])n2)cc1 ZINC000629578176 450745105 /nfs/dbraw/zinc/74/51/05/450745105.db2.gz NRYBNKZZDGLAOZ-UHFFFAOYSA-N 2 2 348.472 1.964 20 0 EDADLP Cc1cc(C)cc(OCc2noc(C[N@H+](C)CCOCC[NH3+])n2)c1 ZINC000629581368 450749385 /nfs/dbraw/zinc/74/93/85/450749385.db2.gz YEYJRNUMJNPBIW-UHFFFAOYSA-N 2 2 334.420 1.673 20 0 EDADLP Cc1cc(C)cc(OCc2noc(C[N@@H+](C)CCOCC[NH3+])n2)c1 ZINC000629581368 450749388 /nfs/dbraw/zinc/74/93/88/450749388.db2.gz YEYJRNUMJNPBIW-UHFFFAOYSA-N 2 2 334.420 1.673 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)C2 ZINC000629584414 450749899 /nfs/dbraw/zinc/74/98/99/450749899.db2.gz QKEXHBKYKUSBFI-HDICACEKSA-N 2 2 335.879 1.930 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)C2 ZINC000629584414 450749908 /nfs/dbraw/zinc/74/99/08/450749908.db2.gz QKEXHBKYKUSBFI-HDICACEKSA-N 2 2 335.879 1.930 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCCC[N@H+]1CCO ZINC000633256066 450760463 /nfs/dbraw/zinc/76/04/63/450760463.db2.gz ISPAGMHOGFEQNL-GOSISDBHSA-N 2 2 342.443 1.378 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000633256066 450760467 /nfs/dbraw/zinc/76/04/67/450760467.db2.gz ISPAGMHOGFEQNL-GOSISDBHSA-N 2 2 342.443 1.378 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)CC2([NH+](C)C)CC2)o1 ZINC000631775838 450766999 /nfs/dbraw/zinc/76/69/99/450766999.db2.gz BPJOUJSUHXUBRC-UHFFFAOYSA-N 2 2 343.493 1.376 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629647031 450769093 /nfs/dbraw/zinc/76/90/93/450769093.db2.gz JWAUDINQEWQYSW-KRWDZBQOSA-N 2 2 327.428 1.359 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000629647031 450769100 /nfs/dbraw/zinc/76/91/00/450769100.db2.gz JWAUDINQEWQYSW-KRWDZBQOSA-N 2 2 327.428 1.359 20 0 EDADLP C[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000631787190 450776687 /nfs/dbraw/zinc/77/66/87/450776687.db2.gz BPZSBRCSVLARPV-HOCLYGCPSA-N 2 2 330.436 1.365 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)NCCNc1ccc2ccccc2[nH+]1 ZINC000621642996 450808064 /nfs/dbraw/zinc/80/80/64/450808064.db2.gz ZJHDXIYJTSDTPH-OAHLLOKOSA-N 2 2 326.444 2.543 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCC(C)(C)F)([NH+]2CCCCC2)CC1 ZINC000633389865 450829968 /nfs/dbraw/zinc/82/99/68/450829968.db2.gz HHKGYWVCMOYYIT-UHFFFAOYSA-N 2 2 328.476 1.984 20 0 EDADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863794 450832835 /nfs/dbraw/zinc/83/28/35/450832835.db2.gz FNDAMCHLDHSCFN-MRXNPFEDSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000626662239 450839612 /nfs/dbraw/zinc/83/96/12/450839612.db2.gz FFZZNUMPYFALJU-QGZVFWFLSA-N 2 2 344.484 1.925 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000626662239 450839617 /nfs/dbraw/zinc/83/96/17/450839617.db2.gz FFZZNUMPYFALJU-QGZVFWFLSA-N 2 2 344.484 1.925 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886474 450847633 /nfs/dbraw/zinc/84/76/33/450847633.db2.gz IBFJKMFGBJDVJL-MJGOQNOKSA-N 2 2 345.487 1.913 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886474 450847634 /nfs/dbraw/zinc/84/76/34/450847634.db2.gz IBFJKMFGBJDVJL-MJGOQNOKSA-N 2 2 345.487 1.913 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631890000 450850185 /nfs/dbraw/zinc/85/01/85/450850185.db2.gz LMUGBMLLUMXJPT-WBVHZDCISA-N 2 2 337.489 1.511 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631890000 450850189 /nfs/dbraw/zinc/85/01/89/450850189.db2.gz LMUGBMLLUMXJPT-WBVHZDCISA-N 2 2 337.489 1.511 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635478389 450976492 /nfs/dbraw/zinc/97/64/92/450976492.db2.gz CFGZDAUYYNWNIB-GFCCVEGCSA-N 2 2 334.342 1.167 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626923027 451005923 /nfs/dbraw/zinc/00/59/23/451005923.db2.gz KBIOGMIMENKNFF-AWEZNQCLSA-N 2 2 331.420 1.022 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000626927531 451011073 /nfs/dbraw/zinc/01/10/73/451011073.db2.gz QREPWSKEMQRJQS-GLQYFDAESA-N 2 2 331.395 1.698 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000626927757 451011788 /nfs/dbraw/zinc/01/17/88/451011788.db2.gz ZWZAZQYWGIDDBU-NILFDRSVSA-N 2 2 331.395 1.698 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1cc[nH+]c(N3CCCC3)c1)C2 ZINC000626928890 451012097 /nfs/dbraw/zinc/01/20/97/451012097.db2.gz DJYPSPIYDYMGDS-KDURUIRLSA-N 2 2 343.475 1.823 20 0 EDADLP CCc1c[nH]c(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)[nH+]1 ZINC000635549924 451045119 /nfs/dbraw/zinc/04/51/19/451045119.db2.gz RESWTZLZFGYPCJ-UHFFFAOYSA-N 2 2 334.464 1.666 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)n1cc[nH+]c1 ZINC000635531939 451026840 /nfs/dbraw/zinc/02/68/40/451026840.db2.gz IGCXKYJNGNJBRO-GVDBMIGSSA-N 2 2 334.464 1.528 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635538527 451034413 /nfs/dbraw/zinc/03/44/13/451034413.db2.gz RPALJYLGAQIAMW-UHFFFAOYSA-N 2 2 342.403 1.299 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H]2CC[NH+](CC3CC3)C2)cc1 ZINC000635538752 451036199 /nfs/dbraw/zinc/03/61/99/451036199.db2.gz OTMAPWNXLIOZOX-PKOBYXMFSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H]2CC[NH+](CC3CC3)C2)cc1 ZINC000635538752 451036205 /nfs/dbraw/zinc/03/62/05/451036205.db2.gz OTMAPWNXLIOZOX-PKOBYXMFSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000635538752 451036207 /nfs/dbraw/zinc/03/62/07/451036207.db2.gz OTMAPWNXLIOZOX-PKOBYXMFSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000635538752 451036213 /nfs/dbraw/zinc/03/62/13/451036213.db2.gz OTMAPWNXLIOZOX-PKOBYXMFSA-N 2 2 343.471 1.870 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627042583 451098223 /nfs/dbraw/zinc/09/82/23/451098223.db2.gz FKINZKSBNSKDAT-ZYHUDNBSSA-N 2 2 346.353 1.759 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccnc4ccnn43)CC2)CC1 ZINC000624937001 451069415 /nfs/dbraw/zinc/06/94/15/451069415.db2.gz VXZZQKCFXDDLTK-UHFFFAOYSA-N 2 2 342.447 1.018 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000635573180 451071966 /nfs/dbraw/zinc/07/19/66/451071966.db2.gz SIFSXBMDQLGYHH-ZJIFWQFVSA-N 2 2 334.464 1.766 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000635573180 451071967 /nfs/dbraw/zinc/07/19/67/451071967.db2.gz SIFSXBMDQLGYHH-ZJIFWQFVSA-N 2 2 334.464 1.766 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000635573180 451071972 /nfs/dbraw/zinc/07/19/72/451071972.db2.gz SIFSXBMDQLGYHH-ZJIFWQFVSA-N 2 2 334.464 1.766 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000635573180 451071977 /nfs/dbraw/zinc/07/19/77/451071977.db2.gz SIFSXBMDQLGYHH-ZJIFWQFVSA-N 2 2 334.464 1.766 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000635593324 451089031 /nfs/dbraw/zinc/08/90/31/451089031.db2.gz WZUJZIIZBLMAIL-QAPCUYQASA-N 2 2 342.443 1.919 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000635593324 451089036 /nfs/dbraw/zinc/08/90/36/451089036.db2.gz WZUJZIIZBLMAIL-QAPCUYQASA-N 2 2 342.443 1.919 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](CCCF)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627957401 451050877 /nfs/dbraw/zinc/05/08/77/451050877.db2.gz ZMBSMHSILZKTAW-IXDOHACOSA-N 2 2 343.487 1.624 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](CCCF)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627957401 451050878 /nfs/dbraw/zinc/05/08/78/451050878.db2.gz ZMBSMHSILZKTAW-IXDOHACOSA-N 2 2 343.487 1.624 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000627087971 451118424 /nfs/dbraw/zinc/11/84/24/451118424.db2.gz MSYMPAYPXBJQGE-KBPBESRZSA-N 2 2 334.468 1.889 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000635654374 451138492 /nfs/dbraw/zinc/13/84/92/451138492.db2.gz DQRLEVCMEHTJTQ-IAGOWNOFSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1c[nH]c(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)[nH+]1 ZINC000628175480 451168921 /nfs/dbraw/zinc/16/89/21/451168921.db2.gz YRFHOYIAXYTOBX-UHFFFAOYSA-N 2 2 343.475 1.981 20 0 EDADLP Cc1cnn(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC000634194664 451230771 /nfs/dbraw/zinc/23/07/71/451230771.db2.gz NDKRFXRDYHXLRH-UHFFFAOYSA-N 2 2 328.420 1.367 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194114 451231551 /nfs/dbraw/zinc/23/15/51/451231551.db2.gz KBMYXZRMBFTJJF-ZJOBFFGXSA-N 2 2 332.448 1.831 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@@H]3CCCC[C@H]3O)c2)CC1 ZINC000634193051 451227810 /nfs/dbraw/zinc/22/78/10/451227810.db2.gz DLJOUVGEEBHIGQ-GOEBONIOSA-N 2 2 332.448 1.713 20 0 EDADLP Cc1c(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cnn1C ZINC000634195882 451232853 /nfs/dbraw/zinc/23/28/53/451232853.db2.gz IIVLHTYWTXRIIC-UHFFFAOYSA-N 2 2 342.447 1.447 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000636524395 451266296 /nfs/dbraw/zinc/26/62/96/451266296.db2.gz LYNRXWNEHKLPRB-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+]1CCCCCC1 ZINC000636524395 451266299 /nfs/dbraw/zinc/26/62/99/451266299.db2.gz LYNRXWNEHKLPRB-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC2(C[NH+](C)C)CCC2)cc1 ZINC000635892401 451336749 /nfs/dbraw/zinc/33/67/49/451336749.db2.gz VKOWIUCKEOLDAV-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC2(C[NH+](C)C)CCC2)cc1 ZINC000635892401 451336752 /nfs/dbraw/zinc/33/67/52/451336752.db2.gz VKOWIUCKEOLDAV-KRWDZBQOSA-N 2 2 331.460 1.870 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+]C[C@H]1c1cccnc1)CC2 ZINC000638215187 451358603 /nfs/dbraw/zinc/35/86/03/451358603.db2.gz MRMPYFRMTCQAHF-HOCLYGCPSA-N 2 2 325.416 1.322 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636629314 451366717 /nfs/dbraw/zinc/36/67/17/451366717.db2.gz LALJLLZMQVMJEW-AWEZNQCLSA-N 2 2 335.452 1.139 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636629314 451366721 /nfs/dbraw/zinc/36/67/21/451366721.db2.gz LALJLLZMQVMJEW-AWEZNQCLSA-N 2 2 335.452 1.139 20 0 EDADLP COC[C@]1(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCC[NH2+]1 ZINC000638234184 451373009 /nfs/dbraw/zinc/37/30/09/451373009.db2.gz YYXQADWQGGKYFM-DGCLKSJQSA-N 2 2 334.342 1.261 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000638299912 451415132 /nfs/dbraw/zinc/41/51/32/451415132.db2.gz CGHWFUBFFLCAKH-AWEZNQCLSA-N 2 2 332.448 1.287 20 0 EDADLP C[C@@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000638363900 451461590 /nfs/dbraw/zinc/46/15/90/451461590.db2.gz SIEVAVSGSVXXLK-GJZGRUSLSA-N 2 2 345.553 1.947 20 0 EDADLP C[C@@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000638363900 451461593 /nfs/dbraw/zinc/46/15/93/451461593.db2.gz SIEVAVSGSVXXLK-GJZGRUSLSA-N 2 2 345.553 1.947 20 0 EDADLP Cc1nnsc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000638368036 451466324 /nfs/dbraw/zinc/46/63/24/451466324.db2.gz SPYHTGVLTAIDNU-UHFFFAOYSA-N 2 2 331.489 1.884 20 0 EDADLP Cc1nnsc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000638368036 451466334 /nfs/dbraw/zinc/46/63/34/451466334.db2.gz SPYHTGVLTAIDNU-UHFFFAOYSA-N 2 2 331.489 1.884 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)Nc2ccnc(C[NH+](C)C)c2)[C@H](C)CO1 ZINC000640618627 451466722 /nfs/dbraw/zinc/46/67/22/451466722.db2.gz MENMSRNCHZJQIH-ZIAGYGMSSA-N 2 2 335.452 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccnc(C[NH+](C)C)c2)[C@H](C)CO1 ZINC000640618627 451466731 /nfs/dbraw/zinc/46/67/31/451466731.db2.gz MENMSRNCHZJQIH-ZIAGYGMSSA-N 2 2 335.452 1.374 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000628913831 451472181 /nfs/dbraw/zinc/47/21/81/451472181.db2.gz DTILBRHJSVPRJS-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000628913831 451472187 /nfs/dbraw/zinc/47/21/87/451472187.db2.gz DTILBRHJSVPRJS-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP Cn1nc2c(c1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CCCC2 ZINC000640631367 451478058 /nfs/dbraw/zinc/47/80/58/451478058.db2.gz GZOVNPGQTSOPPB-UHFFFAOYSA-N 2 2 348.495 1.446 20 0 EDADLP CC(C)N1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634703224 451478626 /nfs/dbraw/zinc/47/86/26/451478626.db2.gz RTTSWVKIUANSBZ-IEBWSBKVSA-N 2 2 331.460 1.222 20 0 EDADLP CC(C)N1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634703224 451478630 /nfs/dbraw/zinc/47/86/30/451478630.db2.gz RTTSWVKIUANSBZ-IEBWSBKVSA-N 2 2 331.460 1.222 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000638407196 451495155 /nfs/dbraw/zinc/49/51/55/451495155.db2.gz OQORRUYBBRDVIR-QRVBRYPASA-N 2 2 345.487 1.862 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000638407196 451495163 /nfs/dbraw/zinc/49/51/63/451495163.db2.gz OQORRUYBBRDVIR-QRVBRYPASA-N 2 2 345.487 1.862 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NCCCCNc2cccc[nH+]2)cn1 ZINC000630930887 451489433 /nfs/dbraw/zinc/48/94/33/451489433.db2.gz LPMUGKAAELCUAP-UHFFFAOYSA-N 2 2 330.436 1.462 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc[nH+]1 ZINC000640600835 451446522 /nfs/dbraw/zinc/44/65/22/451446522.db2.gz VCSDDORHSQGDEI-HNNXBMFYSA-N 2 2 333.436 1.476 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cn2)CC1 ZINC000634732180 451512290 /nfs/dbraw/zinc/51/22/90/451512290.db2.gz AFMDAWGMCVIEOL-MRXNPFEDSA-N 3 2 332.496 1.096 20 0 EDADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638431918 451512438 /nfs/dbraw/zinc/51/24/38/451512438.db2.gz WQOVHPBMGQRJJU-UHFFFAOYSA-N 2 2 331.507 1.750 20 0 EDADLP CCC[C@@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC000638455245 451524812 /nfs/dbraw/zinc/52/48/12/451524812.db2.gz UZPHZBNYAWKKTB-INIZCTEOSA-N 2 2 334.464 1.525 20 0 EDADLP CC[C@@H](C)[C@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC000638455206 451524971 /nfs/dbraw/zinc/52/49/71/451524971.db2.gz SPLGVFLDQPGSLK-SJORKVTESA-N 2 2 348.491 1.771 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000640721717 451528546 /nfs/dbraw/zinc/52/85/46/451528546.db2.gz OQIIWDLSXMGOOI-KRWDZBQOSA-N 2 2 341.496 1.058 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000640721717 451528550 /nfs/dbraw/zinc/52/85/50/451528550.db2.gz OQIIWDLSXMGOOI-KRWDZBQOSA-N 2 2 341.496 1.058 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000636139608 451541623 /nfs/dbraw/zinc/54/16/23/451541623.db2.gz PFHKBSRSUQHXOO-SOLBZPMBSA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000636139608 451541628 /nfs/dbraw/zinc/54/16/28/451541628.db2.gz PFHKBSRSUQHXOO-SOLBZPMBSA-N 2 2 331.460 1.726 20 0 EDADLP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636171712 451562777 /nfs/dbraw/zinc/56/27/77/451562777.db2.gz PAIOMFKFTVTEFP-GVDBMIGSSA-N 2 2 340.427 1.396 20 0 EDADLP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636171712 451562784 /nfs/dbraw/zinc/56/27/84/451562784.db2.gz PAIOMFKFTVTEFP-GVDBMIGSSA-N 2 2 340.427 1.396 20 0 EDADLP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636171712 451562790 /nfs/dbraw/zinc/56/27/90/451562790.db2.gz PAIOMFKFTVTEFP-GVDBMIGSSA-N 2 2 340.427 1.396 20 0 EDADLP O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636171712 451562796 /nfs/dbraw/zinc/56/27/96/451562796.db2.gz PAIOMFKFTVTEFP-GVDBMIGSSA-N 2 2 340.427 1.396 20 0 EDADLP CN1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1=O ZINC000631083737 451574607 /nfs/dbraw/zinc/57/46/07/451574607.db2.gz QQTNAWWKGJRIMH-GOSISDBHSA-N 2 2 347.459 1.108 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)[C@@H]1CC[NH3+] ZINC000634811390 451567179 /nfs/dbraw/zinc/56/71/79/451567179.db2.gz DASGZKJPBMOGAE-LSDHHAIUSA-N 2 2 333.480 1.782 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)[C@@H]1CC[NH3+] ZINC000634811390 451567187 /nfs/dbraw/zinc/56/71/87/451567187.db2.gz DASGZKJPBMOGAE-LSDHHAIUSA-N 2 2 333.480 1.782 20 0 EDADLP CNC(=O)C(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631099836 451582969 /nfs/dbraw/zinc/58/29/69/451582969.db2.gz ZNFQQRQGJMIMQC-UHFFFAOYSA-N 2 2 349.475 1.259 20 0 EDADLP Cc1cc(NCCNC(=O)CC[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000638583735 451588880 /nfs/dbraw/zinc/58/88/80/451588880.db2.gz DOEOLMRRGMQFNE-HNNXBMFYSA-N 2 2 333.480 2.216 20 0 EDADLP CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631121284 451596298 /nfs/dbraw/zinc/59/62/98/451596298.db2.gz PQKVXQQSQBYBCX-INIZCTEOSA-N 2 2 349.475 1.354 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631147511 451608923 /nfs/dbraw/zinc/60/89/23/451608923.db2.gz RDLMAEJDPGCGKN-MRXNPFEDSA-N 2 2 328.416 1.252 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631147511 451608928 /nfs/dbraw/zinc/60/89/28/451608928.db2.gz RDLMAEJDPGCGKN-MRXNPFEDSA-N 2 2 328.416 1.252 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc3c(c1)OCC[NH2+]C3)CC2 ZINC000638674615 451645001 /nfs/dbraw/zinc/64/50/01/451645001.db2.gz VUJRRNBSMBJTLJ-ZDUSSCGKSA-N 2 2 326.400 1.875 20 0 EDADLP COc1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000638678364 451646827 /nfs/dbraw/zinc/64/68/27/451646827.db2.gz NCMHAHQLTMJVHE-QGZVFWFLSA-N 2 2 333.457 1.878 20 0 EDADLP C[C@H]1CCn2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2C1 ZINC000631258093 451667350 /nfs/dbraw/zinc/66/73/50/451667350.db2.gz MCPUTIGDPVRKNM-LSDHHAIUSA-N 2 2 345.491 1.364 20 0 EDADLP C[C@H]1CCn2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2C1 ZINC000631258093 451667353 /nfs/dbraw/zinc/66/73/53/451667353.db2.gz MCPUTIGDPVRKNM-LSDHHAIUSA-N 2 2 345.491 1.364 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638728728 451668294 /nfs/dbraw/zinc/66/82/94/451668294.db2.gz LKPXBCDJISQINP-WMZOPIPTSA-N 2 2 346.475 1.178 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638728728 451668298 /nfs/dbraw/zinc/66/82/98/451668298.db2.gz LKPXBCDJISQINP-WMZOPIPTSA-N 2 2 346.475 1.178 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636464020 451720854 /nfs/dbraw/zinc/72/08/54/451720854.db2.gz PWADGSRXKQJPSV-OAHLLOKOSA-N 2 2 347.463 1.142 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636475640 451727863 /nfs/dbraw/zinc/72/78/63/451727863.db2.gz ZGYCQGSOLRKUBS-CVEARBPZSA-N 2 2 325.416 1.382 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636475640 451727867 /nfs/dbraw/zinc/72/78/67/451727867.db2.gz ZGYCQGSOLRKUBS-CVEARBPZSA-N 2 2 325.416 1.382 20 0 EDADLP CC[NH2+]Cc1ccn(Cc2cn(Cc3cc(OC)cc[nH+]3)nn2)n1 ZINC000641030902 451735337 /nfs/dbraw/zinc/73/53/37/451735337.db2.gz OKFYYSAMCXEHTO-UHFFFAOYSA-N 2 2 327.392 1.084 20 0 EDADLP O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000641073642 451745573 /nfs/dbraw/zinc/74/55/73/451745573.db2.gz LLAHXZQCNYUFPV-QGZVFWFLSA-N 2 2 346.475 1.535 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005008 451751187 /nfs/dbraw/zinc/75/11/87/451751187.db2.gz SYQTYZYWXQZBSR-INIZCTEOSA-N 2 2 333.480 1.188 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000641164219 451766987 /nfs/dbraw/zinc/76/69/87/451766987.db2.gz MGKWIUKGMPUNBX-KRWDZBQOSA-N 2 2 326.404 1.073 20 0 EDADLP c1c(C[NH2+]C2CC2)nnn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000641180305 451771337 /nfs/dbraw/zinc/77/13/37/451771337.db2.gz DNZOHCXEWBQDGU-UHFFFAOYSA-N 2 2 327.432 1.411 20 0 EDADLP Nc1nc(N)c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC000639163828 451782501 /nfs/dbraw/zinc/78/25/01/451782501.db2.gz ZSRDPLDNHJWWJU-IBGZPJMESA-N 2 2 338.459 1.400 20 0 EDADLP Nc1nc(N)c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC000639163828 451782504 /nfs/dbraw/zinc/78/25/04/451782504.db2.gz ZSRDPLDNHJWWJU-IBGZPJMESA-N 2 2 338.459 1.400 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639179536 451786505 /nfs/dbraw/zinc/78/65/05/451786505.db2.gz TZCVDCCKBVMDMS-AAEUAGOBSA-N 2 2 329.491 1.312 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639179536 451786508 /nfs/dbraw/zinc/78/65/08/451786508.db2.gz TZCVDCCKBVMDMS-AAEUAGOBSA-N 2 2 329.491 1.312 20 0 EDADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639179536 451786511 /nfs/dbraw/zinc/78/65/11/451786511.db2.gz TZCVDCCKBVMDMS-AAEUAGOBSA-N 2 2 329.491 1.312 20 0 EDADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000639179536 451786514 /nfs/dbraw/zinc/78/65/14/451786514.db2.gz TZCVDCCKBVMDMS-AAEUAGOBSA-N 2 2 329.491 1.312 20 0 EDADLP Cc1[nH+]c2ccccc2n1Cc1cn(C[C@@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000641221173 451787210 /nfs/dbraw/zinc/78/72/10/451787210.db2.gz GQVQBNSTKQVKRZ-INIZCTEOSA-N 2 2 342.447 1.686 20 0 EDADLP Cc1[nH+]c2ccccc2n1Cc1cn(C[C@@H](O)C[N@H+](C)C(C)C)nn1 ZINC000641221173 451787213 /nfs/dbraw/zinc/78/72/13/451787213.db2.gz GQVQBNSTKQVKRZ-INIZCTEOSA-N 2 2 342.447 1.686 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000639210497 451792314 /nfs/dbraw/zinc/79/23/14/451792314.db2.gz GISROFCROMSMMY-IPMKNSEASA-N 2 2 334.460 1.047 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000639210497 451792316 /nfs/dbraw/zinc/79/23/16/451792316.db2.gz GISROFCROMSMMY-IPMKNSEASA-N 2 2 334.460 1.047 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000639304863 451816312 /nfs/dbraw/zinc/81/63/12/451816312.db2.gz CUWKDTRZCUNZDE-ZDUSSCGKSA-N 2 2 331.526 1.699 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000639304863 451816315 /nfs/dbraw/zinc/81/63/15/451816315.db2.gz CUWKDTRZCUNZDE-ZDUSSCGKSA-N 2 2 331.526 1.699 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(CNc3cc[nH+]cc3F)cc2)CC1 ZINC000641295395 451820734 /nfs/dbraw/zinc/82/07/34/451820734.db2.gz OYFHIUKXWSIIRD-UHFFFAOYSA-N 2 2 328.391 1.642 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(CNc3cc(CO)cc[nH+]3)cc2)CC1 ZINC000641294795 451821018 /nfs/dbraw/zinc/82/10/18/451821018.db2.gz KAEXFTQCYGTFLG-UHFFFAOYSA-N 2 2 340.427 1.574 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000639355572 451841277 /nfs/dbraw/zinc/84/12/77/451841277.db2.gz ZZXLSAITHVVXPQ-UHFFFAOYSA-N 2 2 339.524 1.674 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000639355572 451841286 /nfs/dbraw/zinc/84/12/86/451841286.db2.gz ZZXLSAITHVVXPQ-UHFFFAOYSA-N 2 2 339.524 1.674 20 0 EDADLP Cc1ccc([C@H](C[NH2+]C[C@H](O)Cn2cccn2)[NH+]2CCCC2)cc1 ZINC000644532403 451845534 /nfs/dbraw/zinc/84/55/34/451845534.db2.gz FVKVXOAWSTVWBR-OALUTQOASA-N 2 2 328.460 1.979 20 0 EDADLP C[C@@H]([NH2+]C(C)(C)CNC[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000644545632 451853891 /nfs/dbraw/zinc/85/38/91/451853891.db2.gz ANJVXOWMRWSVBU-AEFFLSMTSA-N 2 2 335.492 1.399 20 0 EDADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CN1CCOCC1)c1ccccc1 ZINC000644545632 451853899 /nfs/dbraw/zinc/85/38/99/451853899.db2.gz ANJVXOWMRWSVBU-AEFFLSMTSA-N 2 2 335.492 1.399 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641341029 451865238 /nfs/dbraw/zinc/86/52/38/451865238.db2.gz ZBHNGLRQJYZWOD-INIZCTEOSA-N 2 2 348.472 1.419 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641341029 451865243 /nfs/dbraw/zinc/86/52/43/451865243.db2.gz ZBHNGLRQJYZWOD-INIZCTEOSA-N 2 2 348.472 1.419 20 0 EDADLP CN(C(=O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000644583731 451877921 /nfs/dbraw/zinc/87/79/21/451877921.db2.gz YYYVVEQFQGNJDT-LJQANCHMSA-N 2 2 347.503 1.860 20 0 EDADLP CN(C(=O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000644583731 451877924 /nfs/dbraw/zinc/87/79/24/451877924.db2.gz YYYVVEQFQGNJDT-LJQANCHMSA-N 2 2 347.503 1.860 20 0 EDADLP CC[NH+](CC)CC1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641352794 451879790 /nfs/dbraw/zinc/87/97/90/451879790.db2.gz YHCWELAJYAILNN-UHFFFAOYSA-N 2 2 328.482 1.267 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000639501516 451907448 /nfs/dbraw/zinc/90/74/48/451907448.db2.gz SOYNGPDXLSCNPY-UHFFFAOYSA-N 3 2 349.523 1.379 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000644648485 451916642 /nfs/dbraw/zinc/91/66/42/451916642.db2.gz DDLSNXXSXBGYTQ-KBAYOESNSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)CN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000644648485 451916647 /nfs/dbraw/zinc/91/66/47/451916647.db2.gz DDLSNXXSXBGYTQ-KBAYOESNSA-N 2 2 331.460 1.222 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000639526694 451924476 /nfs/dbraw/zinc/92/44/76/451924476.db2.gz HPQUCIKBRYTPPT-UHFFFAOYSA-N 2 2 333.480 1.029 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000646920646 451938174 /nfs/dbraw/zinc/93/81/74/451938174.db2.gz SVHOGJIGCZNJMG-QZTJIDSGSA-N 2 2 329.444 1.295 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000646920646 451938178 /nfs/dbraw/zinc/93/81/78/451938178.db2.gz SVHOGJIGCZNJMG-QZTJIDSGSA-N 2 2 329.444 1.295 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649272876 451944402 /nfs/dbraw/zinc/94/44/02/451944402.db2.gz LXNGEQWDUSUJIU-RYQLBKOJSA-N 3 2 341.459 1.045 20 0 EDADLP C[N@@H+]1CC[C@](N)(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000649289465 451965218 /nfs/dbraw/zinc/96/52/18/451965218.db2.gz UZRPRJRFNXYWLC-GOSISDBHSA-N 2 2 331.464 1.111 20 0 EDADLP C[N@H+]1CC[C@](N)(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000649289465 451965225 /nfs/dbraw/zinc/96/52/25/451965225.db2.gz UZRPRJRFNXYWLC-GOSISDBHSA-N 2 2 331.464 1.111 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000649282819 451956001 /nfs/dbraw/zinc/95/60/01/451956001.db2.gz JOCRBLWYUFYNPO-RDJZCZTQSA-N 2 2 341.459 1.354 20 0 EDADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000649283962 451956819 /nfs/dbraw/zinc/95/68/19/451956819.db2.gz YVEPFNMJJMGKTQ-HALDLXJZSA-N 2 2 349.862 1.328 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@]1([NH3+])CCN(C)C1)Cc1ccccc1 ZINC000649292625 451969045 /nfs/dbraw/zinc/96/90/45/451969045.db2.gz UFAITNCIPJBGII-HKUYNNGSSA-N 2 2 332.492 1.089 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)CCO2)CC1 ZINC000649296147 451973551 /nfs/dbraw/zinc/97/35/51/451973551.db2.gz HNIDWTQCPXVKAI-SFHVURJKSA-N 2 2 337.895 1.831 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904574 451982963 /nfs/dbraw/zinc/98/29/63/451982963.db2.gz ZCUNJGWJOVDDRM-HUUCEWRRSA-N 2 2 347.463 1.215 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000649306139 451984062 /nfs/dbraw/zinc/98/40/62/451984062.db2.gz BVRWHFOJMGRLAP-KRWDZBQOSA-N 2 2 339.443 1.553 20 0 EDADLP CC(C)([NH3+])CCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000649309080 451987285 /nfs/dbraw/zinc/98/72/85/451987285.db2.gz VTSQWYSRSZABCV-UHFFFAOYSA-N 2 2 349.475 1.531 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000653555167 452012717 /nfs/dbraw/zinc/01/27/17/452012717.db2.gz MWUMTJHPCSUYPR-RBUKOAKNSA-N 2 2 339.524 1.802 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000653555167 452012722 /nfs/dbraw/zinc/01/27/22/452012722.db2.gz MWUMTJHPCSUYPR-RBUKOAKNSA-N 2 2 339.524 1.802 20 0 EDADLP C[C@H]([NH2+]C1(CNC(=O)[C@@]2([NH3+])CCN(C)C2)CCCC1)c1ccccc1 ZINC000649331705 452013708 /nfs/dbraw/zinc/01/37/08/452013708.db2.gz PFJVYVHJKMJRRW-OXJNMPFZSA-N 2 2 344.503 1.799 20 0 EDADLP CC(C)(C)[C@@H](O)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649366671 452045185 /nfs/dbraw/zinc/04/51/85/452045185.db2.gz NAVOYLDJFKYVTF-IRXDYDNUSA-N 2 2 344.459 1.324 20 0 EDADLP CN(C(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)c1nccs1 ZINC000649420602 452083214 /nfs/dbraw/zinc/08/32/14/452083214.db2.gz GXKBDWYZNLFRKR-KBPBESRZSA-N 2 2 338.477 1.324 20 0 EDADLP Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(C)[nH+]1 ZINC000643231565 452084878 /nfs/dbraw/zinc/08/48/78/452084878.db2.gz BQDQZSIRDUDRPB-KRWDZBQOSA-N 3 2 345.491 1.666 20 0 EDADLP Cc1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(C)[nH+]1 ZINC000643231565 452084883 /nfs/dbraw/zinc/08/48/83/452084883.db2.gz BQDQZSIRDUDRPB-KRWDZBQOSA-N 3 2 345.491 1.666 20 0 EDADLP Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(C)n1 ZINC000643231565 452084889 /nfs/dbraw/zinc/08/48/89/452084889.db2.gz BQDQZSIRDUDRPB-KRWDZBQOSA-N 2 2 345.491 1.666 20 0 EDADLP Cc1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(C)n1 ZINC000643231565 452084892 /nfs/dbraw/zinc/08/48/92/452084892.db2.gz BQDQZSIRDUDRPB-KRWDZBQOSA-N 2 2 345.491 1.666 20 0 EDADLP c1nnc([C@@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954241 452085172 /nfs/dbraw/zinc/08/51/72/452085172.db2.gz MPRHIIMQQNKWST-QZTJIDSGSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954241 452085175 /nfs/dbraw/zinc/08/51/75/452085175.db2.gz MPRHIIMQQNKWST-QZTJIDSGSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954241 452085177 /nfs/dbraw/zinc/08/51/77/452085177.db2.gz MPRHIIMQQNKWST-QZTJIDSGSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954241 452085178 /nfs/dbraw/zinc/08/51/78/452085178.db2.gz MPRHIIMQQNKWST-QZTJIDSGSA-N 2 2 341.459 1.885 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761001 452099831 /nfs/dbraw/zinc/09/98/31/452099831.db2.gz DOXOIUYUTYCATB-LPHOPBHVSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761001 452099837 /nfs/dbraw/zinc/09/98/37/452099837.db2.gz DOXOIUYUTYCATB-LPHOPBHVSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639763935 452104935 /nfs/dbraw/zinc/10/49/35/452104935.db2.gz DXRAKZGGAQSENW-PKOBYXMFSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639763935 452104939 /nfs/dbraw/zinc/10/49/39/452104939.db2.gz DXRAKZGGAQSENW-PKOBYXMFSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)n1[C@H]1CCCOC1 ZINC000637864052 452120706 /nfs/dbraw/zinc/12/07/06/452120706.db2.gz KWGQQHXJZZMPCR-JKSUJKDBSA-N 2 2 334.464 1.171 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)n1[C@H]1CCCOC1 ZINC000637864052 452120711 /nfs/dbraw/zinc/12/07/11/452120711.db2.gz KWGQQHXJZZMPCR-JKSUJKDBSA-N 2 2 334.464 1.171 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000639776419 452121982 /nfs/dbraw/zinc/12/19/82/452121982.db2.gz ALPOEEDMHPVMTI-QZTJIDSGSA-N 2 2 341.459 1.966 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000639776419 452121986 /nfs/dbraw/zinc/12/19/86/452121986.db2.gz ALPOEEDMHPVMTI-QZTJIDSGSA-N 2 2 341.459 1.966 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000647207874 452124311 /nfs/dbraw/zinc/12/43/11/452124311.db2.gz RHFAHTBFCOMULJ-UHFFFAOYSA-N 2 2 341.452 1.580 20 0 EDADLP CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C1 ZINC000641617081 452136995 /nfs/dbraw/zinc/13/69/95/452136995.db2.gz ZLXRGTHJVIHRCM-HNNXBMFYSA-N 2 2 337.489 1.437 20 0 EDADLP CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C1 ZINC000641617081 452137001 /nfs/dbraw/zinc/13/70/01/452137001.db2.gz ZLXRGTHJVIHRCM-HNNXBMFYSA-N 2 2 337.489 1.437 20 0 EDADLP CCC[NH+]1CC[C@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000641617081 452137006 /nfs/dbraw/zinc/13/70/06/452137006.db2.gz ZLXRGTHJVIHRCM-HNNXBMFYSA-N 2 2 337.489 1.437 20 0 EDADLP CCC[NH+]1CC[C@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000641617081 452137010 /nfs/dbraw/zinc/13/70/10/452137010.db2.gz ZLXRGTHJVIHRCM-HNNXBMFYSA-N 2 2 337.489 1.437 20 0 EDADLP CCn1nccc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643362395 452150596 /nfs/dbraw/zinc/15/05/96/452150596.db2.gz HKEJAOQSLISDGP-UHFFFAOYSA-N 2 2 333.480 1.535 20 0 EDADLP CCn1nccc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643362395 452150603 /nfs/dbraw/zinc/15/06/03/452150603.db2.gz HKEJAOQSLISDGP-UHFFFAOYSA-N 2 2 333.480 1.535 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000653876758 452157249 /nfs/dbraw/zinc/15/72/49/452157249.db2.gz HDTHROCBPBMMSV-CVEARBPZSA-N 2 2 341.496 1.151 20 0 EDADLP COc1ccc(F)c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000645156493 452182460 /nfs/dbraw/zinc/18/24/60/452182460.db2.gz LAUNWJLFOYJKHN-INIZCTEOSA-N 2 2 337.439 1.330 20 0 EDADLP [NH3+]C1CCC(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000645265784 452244881 /nfs/dbraw/zinc/24/48/81/452244881.db2.gz GNBCCNYVLIXNMW-UHFFFAOYSA-N 2 2 347.459 1.744 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccn(C)n1 ZINC000641785071 452253263 /nfs/dbraw/zinc/25/32/63/452253263.db2.gz HLNAJVZCLJNVPR-IAGOWNOFSA-N 2 2 335.496 1.257 20 0 EDADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000641786211 452257065 /nfs/dbraw/zinc/25/70/65/452257065.db2.gz JIZGHVDTCQLZCA-FUHWJXTLSA-N 2 2 347.507 1.541 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cncc(F)c1 ZINC000641786004 452257313 /nfs/dbraw/zinc/25/73/13/452257313.db2.gz HTSANYOZUTWVGZ-YJBOKZPZSA-N 2 2 336.455 1.668 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000659428551 452272586 /nfs/dbraw/zinc/27/25/86/452272586.db2.gz AQESVXWDRHWTAM-WBVHZDCISA-N 2 2 334.464 1.275 20 0 EDADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1C ZINC000641810485 452291808 /nfs/dbraw/zinc/29/18/08/452291808.db2.gz XLWXGYVVRSXBCN-IIAWOOMASA-N 2 2 339.505 1.885 20 0 EDADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1C ZINC000641810485 452291811 /nfs/dbraw/zinc/29/18/11/452291811.db2.gz XLWXGYVVRSXBCN-IIAWOOMASA-N 2 2 339.505 1.885 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659450721 452299872 /nfs/dbraw/zinc/29/98/72/452299872.db2.gz GCPDUPQRWHBOLF-CGTJXYLNSA-N 2 2 346.475 1.152 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659450721 452299880 /nfs/dbraw/zinc/29/98/80/452299880.db2.gz GCPDUPQRWHBOLF-CGTJXYLNSA-N 2 2 346.475 1.152 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657522253 452307774 /nfs/dbraw/zinc/30/77/74/452307774.db2.gz ADGLXYDYWIHALQ-OAHLLOKOSA-N 2 2 335.496 1.528 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657522253 452307784 /nfs/dbraw/zinc/30/77/84/452307784.db2.gz ADGLXYDYWIHALQ-OAHLLOKOSA-N 2 2 335.496 1.528 20 0 EDADLP [NH3+][C@@H](C(=O)NCCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000638046073 452310597 /nfs/dbraw/zinc/31/05/97/452310597.db2.gz ANJDKGFLBIMGDY-CQSZACIVSA-N 2 2 345.365 1.544 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000661507036 452311001 /nfs/dbraw/zinc/31/10/01/452311001.db2.gz JDLUDGOIDYJELV-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000661507036 452311008 /nfs/dbraw/zinc/31/10/08/452311008.db2.gz JDLUDGOIDYJELV-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP CCOc1cc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000663590554 452315141 /nfs/dbraw/zinc/31/51/41/452315141.db2.gz ACWDUQAVJJWALN-INIZCTEOSA-N 2 2 333.480 1.788 20 0 EDADLP CCOc1cc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000663590554 452315152 /nfs/dbraw/zinc/31/51/52/452315152.db2.gz ACWDUQAVJJWALN-INIZCTEOSA-N 2 2 333.480 1.788 20 0 EDADLP CCN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000663589970 452315781 /nfs/dbraw/zinc/31/57/81/452315781.db2.gz XIQOZQOLIJEYPN-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CCN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000663589970 452315787 /nfs/dbraw/zinc/31/57/87/452315787.db2.gz XIQOZQOLIJEYPN-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP [NH3+]C/C=C\CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000641870734 452335776 /nfs/dbraw/zinc/33/57/76/452335776.db2.gz ZOKYSRLPOUSTBR-OPCNFVSTSA-N 2 2 325.416 1.926 20 0 EDADLP COC[C@]1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCCC[NH2+]1 ZINC000638059645 452351327 /nfs/dbraw/zinc/35/13/27/452351327.db2.gz HUOFUZVAKVDUMJ-SFHVURJKSA-N 2 2 332.448 1.457 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000638061032 452352834 /nfs/dbraw/zinc/35/28/34/452352834.db2.gz XGDPIRPWPGMXGD-IAGOWNOFSA-N 2 2 335.448 1.168 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000638068452 452373359 /nfs/dbraw/zinc/37/33/59/452373359.db2.gz LDOYNDRIHYDDKJ-INIZCTEOSA-N 2 2 328.416 1.342 20 0 EDADLP CO[C@@H]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645399293 452374396 /nfs/dbraw/zinc/37/43/96/452374396.db2.gz UMDQFYQRLGPWMR-RCCFBDPRSA-N 2 2 337.508 1.819 20 0 EDADLP CO[C@@H]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645399293 452374404 /nfs/dbraw/zinc/37/44/04/452374404.db2.gz UMDQFYQRLGPWMR-RCCFBDPRSA-N 2 2 337.508 1.819 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CCC2C[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000638077828 452392624 /nfs/dbraw/zinc/39/26/24/452392624.db2.gz WSQMTNRIEWHUBD-SFHVURJKSA-N 2 2 331.460 1.484 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@H+]3C[C@H](C)OC[C@H]3C)ccc2[nH+]1 ZINC000665951594 452482701 /nfs/dbraw/zinc/48/27/01/452482701.db2.gz PFJMHQKIORNHIX-KGLIPLIRSA-N 2 2 331.420 1.873 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@@H+]3C[C@H](C)OC[C@H]3C)ccc2[nH+]1 ZINC000665951594 452482706 /nfs/dbraw/zinc/48/27/06/452482706.db2.gz PFJMHQKIORNHIX-KGLIPLIRSA-N 2 2 331.420 1.873 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000659624745 452483041 /nfs/dbraw/zinc/48/30/41/452483041.db2.gz TUSFMJMYYCYGSD-GOSISDBHSA-N 2 2 348.491 1.766 20 0 EDADLP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2ccncc2)n1 ZINC000657750607 452499854 /nfs/dbraw/zinc/49/98/54/452499854.db2.gz JXALOCOZGMDYLN-GOSISDBHSA-N 2 2 341.459 1.825 20 0 EDADLP COCCOc1ncccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655690847 452513269 /nfs/dbraw/zinc/51/32/69/452513269.db2.gz MBQZEKKWVDYHRW-GOSISDBHSA-N 2 2 349.475 1.840 20 0 EDADLP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000655708768 452525775 /nfs/dbraw/zinc/52/57/75/452525775.db2.gz OHABYRPDVJLQIS-MJGOQNOKSA-N 3 2 338.540 1.103 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652354414 452531258 /nfs/dbraw/zinc/53/12/58/452531258.db2.gz XOBOHACNEASGTH-RHSMWYFYSA-N 2 2 346.475 1.824 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652354414 452531267 /nfs/dbraw/zinc/53/12/67/452531267.db2.gz XOBOHACNEASGTH-RHSMWYFYSA-N 2 2 346.475 1.824 20 0 EDADLP C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)[C@@H]1CC[NH3+] ZINC000652354434 452533104 /nfs/dbraw/zinc/53/31/04/452533104.db2.gz YMXOMFZEIZBKRZ-WMLDXEAASA-N 2 2 346.475 1.776 20 0 EDADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)[C@@H]1CC[NH3+] ZINC000652354434 452533108 /nfs/dbraw/zinc/53/31/08/452533108.db2.gz YMXOMFZEIZBKRZ-WMLDXEAASA-N 2 2 346.475 1.776 20 0 EDADLP C[NH+](C)C1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCOCC1 ZINC000655716518 452534529 /nfs/dbraw/zinc/53/45/29/452534529.db2.gz UWNBUVGUZFXGTA-QGZVFWFLSA-N 3 2 325.497 1.330 20 0 EDADLP Fc1cccnc1N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655722991 452536167 /nfs/dbraw/zinc/53/61/67/452536167.db2.gz KRGAQONVOXDJDV-HZPDHXFCSA-N 2 2 334.439 1.642 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652358281 452538995 /nfs/dbraw/zinc/53/89/95/452538995.db2.gz RKOLDSTWWAXYLN-KJGCVMFHSA-N 2 2 331.460 1.648 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652358281 452538997 /nfs/dbraw/zinc/53/89/97/452538997.db2.gz RKOLDSTWWAXYLN-KJGCVMFHSA-N 2 2 331.460 1.648 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000652358191 452539811 /nfs/dbraw/zinc/53/98/11/452539811.db2.gz KKCAGRVDROJRKJ-KBAYOESNSA-N 2 2 331.460 1.476 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000652358191 452539818 /nfs/dbraw/zinc/53/98/18/452539818.db2.gz KKCAGRVDROJRKJ-KBAYOESNSA-N 2 2 331.460 1.476 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NCCc1c(F)cccc1F ZINC000647815332 452546704 /nfs/dbraw/zinc/54/67/04/452546704.db2.gz ZVHCPHKBVQIRAR-UHFFFAOYSA-N 2 2 337.414 1.840 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NCCc1c(F)cccc1F ZINC000647815332 452546713 /nfs/dbraw/zinc/54/67/13/452546713.db2.gz ZVHCPHKBVQIRAR-UHFFFAOYSA-N 2 2 337.414 1.840 20 0 EDADLP C[C@H](O)[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000657819239 452549641 /nfs/dbraw/zinc/54/96/41/452549641.db2.gz SMBQUOVLUNYBRI-YJBOKZPZSA-N 2 2 341.459 1.440 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCC3C[NH2+]C3)CC2)cc1 ZINC000640255271 452549630 /nfs/dbraw/zinc/54/96/30/452549630.db2.gz JHFQXDJUAXHEJY-UHFFFAOYSA-N 2 2 332.448 1.132 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCO1 ZINC000655760073 452560847 /nfs/dbraw/zinc/56/08/47/452560847.db2.gz WVDFHNDVLKGOFT-WMZOPIPTSA-N 3 2 325.497 1.330 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C[C@H]1C ZINC000657852290 452566864 /nfs/dbraw/zinc/56/68/64/452566864.db2.gz LETPLTOZKJMMJD-ZIAGYGMSSA-N 2 2 343.431 1.522 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C[C@H]1C ZINC000657852290 452566870 /nfs/dbraw/zinc/56/68/70/452566870.db2.gz LETPLTOZKJMMJD-ZIAGYGMSSA-N 2 2 343.431 1.522 20 0 EDADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647834725 452568497 /nfs/dbraw/zinc/56/84/97/452568497.db2.gz HUPNMNGUHCKLFF-CQSZACIVSA-N 2 2 332.448 1.053 20 0 EDADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647834725 452568502 /nfs/dbraw/zinc/56/85/02/452568502.db2.gz HUPNMNGUHCKLFF-CQSZACIVSA-N 2 2 332.448 1.053 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NCCc1ccccc1 ZINC000655771654 452569678 /nfs/dbraw/zinc/56/96/78/452569678.db2.gz AMWGJMPHMWWZTQ-QFBILLFUSA-N 2 2 345.487 1.577 20 0 EDADLP Cc1cnc(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000655809085 452590461 /nfs/dbraw/zinc/59/04/61/452590461.db2.gz PXMKQNRGNNBPAS-UHFFFAOYSA-N 2 2 346.519 1.627 20 0 EDADLP Cc1cnc(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c(C)c1 ZINC000655809085 452590466 /nfs/dbraw/zinc/59/04/66/452590466.db2.gz PXMKQNRGNNBPAS-UHFFFAOYSA-N 2 2 346.519 1.627 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnnn1-c1ccccc1 ZINC000640307175 452608433 /nfs/dbraw/zinc/60/84/33/452608433.db2.gz QYVCROMLKKYBIH-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnnn1-c1ccccc1 ZINC000640307175 452608438 /nfs/dbraw/zinc/60/84/38/452608438.db2.gz QYVCROMLKKYBIH-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)[C@@H](C[NH3+])C1 ZINC000647872627 452610347 /nfs/dbraw/zinc/61/03/47/452610347.db2.gz KIFYUHQOHQTNFL-INIZCTEOSA-N 2 2 327.428 1.565 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)[C@@H](C[NH3+])C1 ZINC000647872627 452610353 /nfs/dbraw/zinc/61/03/53/452610353.db2.gz KIFYUHQOHQTNFL-INIZCTEOSA-N 2 2 327.428 1.565 20 0 EDADLP Cc1nnsc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000647911035 452652159 /nfs/dbraw/zinc/65/21/59/452652159.db2.gz OLAPYMLJNFLJFP-UHFFFAOYSA-N 2 2 337.493 1.223 20 0 EDADLP Cn1cc(C[N@H+](CCCC2CCCC2)[C@@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000647916658 452653724 /nfs/dbraw/zinc/65/37/24/452653724.db2.gz QAIKKTQGFJTOIR-QGZVFWFLSA-N 2 2 348.491 1.218 20 0 EDADLP Cn1cc(C[N@@H+](CCCC2CCCC2)[C@@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000647916658 452653733 /nfs/dbraw/zinc/65/37/33/452653733.db2.gz QAIKKTQGFJTOIR-QGZVFWFLSA-N 2 2 348.491 1.218 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925668 452662977 /nfs/dbraw/zinc/66/29/77/452662977.db2.gz SDGFQVHQGUJLDG-CQSZACIVSA-N 2 2 344.459 1.954 20 0 EDADLP CC[C@H]1C[N@H+](CCOc2cccc(S(C)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647937250 452678472 /nfs/dbraw/zinc/67/84/72/452678472.db2.gz UHFRBIMOASBBQX-XJKSGUPXSA-N 2 2 326.462 1.528 20 0 EDADLP CC[C@H]1C[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647937250 452678475 /nfs/dbraw/zinc/67/84/75/452678475.db2.gz UHFRBIMOASBBQX-XJKSGUPXSA-N 2 2 326.462 1.528 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663981382 452688006 /nfs/dbraw/zinc/68/80/06/452688006.db2.gz ZGCPBJSUQJQCKS-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000659793576 452691223 /nfs/dbraw/zinc/69/12/23/452691223.db2.gz YVKLHPFOWOYJOG-HNNXBMFYSA-N 2 2 347.463 1.105 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000659793576 452691233 /nfs/dbraw/zinc/69/12/33/452691233.db2.gz YVKLHPFOWOYJOG-HNNXBMFYSA-N 2 2 347.463 1.105 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659821328 452709217 /nfs/dbraw/zinc/70/92/17/452709217.db2.gz LYMVZWYHCCEWOB-KURKYZTESA-N 2 2 338.540 1.497 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2cc(F)ccc2F)CC12CCOCC2 ZINC000647985498 452729036 /nfs/dbraw/zinc/72/90/36/452729036.db2.gz JHALDCXAELCMHM-GFCCVEGCSA-N 2 2 339.386 1.591 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2cc(F)ccc2F)CC12CCOCC2 ZINC000647985498 452729039 /nfs/dbraw/zinc/72/90/39/452729039.db2.gz JHALDCXAELCMHM-GFCCVEGCSA-N 2 2 339.386 1.591 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](Cc2ccccc2)c2ncco2)[C@H](C[NH3+])C1 ZINC000655976458 452757847 /nfs/dbraw/zinc/75/78/47/452757847.db2.gz YEMVVCFNQVRPMO-HZPDHXFCSA-N 2 2 343.431 1.243 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](Cc2ccccc2)c2ncco2)[C@H](C[NH3+])C1 ZINC000655976458 452757854 /nfs/dbraw/zinc/75/78/54/452757854.db2.gz YEMVVCFNQVRPMO-HZPDHXFCSA-N 2 2 343.431 1.243 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCCC3(C[NH3+])CC3)ccc2n1C ZINC000652634814 452793118 /nfs/dbraw/zinc/79/31/18/452793118.db2.gz UXSLYMBMWWTREJ-UHFFFAOYSA-N 2 2 329.404 1.065 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000643902373 452802236 /nfs/dbraw/zinc/80/22/36/452802236.db2.gz GEFZPPKIBDAPJA-HNNXBMFYSA-N 2 2 348.447 1.207 20 0 EDADLP CO[C@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000658314776 452843910 /nfs/dbraw/zinc/84/39/10/452843910.db2.gz JRPMIZKDPCDPPW-LJQANCHMSA-N 2 2 339.524 1.578 20 0 EDADLP CO[C@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCCC1 ZINC000658314776 452843918 /nfs/dbraw/zinc/84/39/18/452843918.db2.gz JRPMIZKDPCDPPW-LJQANCHMSA-N 2 2 339.524 1.578 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000664217214 452892621 /nfs/dbraw/zinc/89/26/21/452892621.db2.gz AYVMWZATUZVAIS-OAGGEKHMSA-N 2 2 340.512 1.373 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000664217214 452892627 /nfs/dbraw/zinc/89/26/27/452892627.db2.gz AYVMWZATUZVAIS-OAGGEKHMSA-N 2 2 340.512 1.373 20 0 EDADLP COc1cc2nc(NC[C@H]3C[C@@H]([NH+](C)C)C3)[nH+]c(N)c2cc1OC ZINC000656211616 452964770 /nfs/dbraw/zinc/96/47/70/452964770.db2.gz HVTFSTIBCFVRNP-PHIMTYICSA-N 2 2 331.420 1.981 20 0 EDADLP Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662253806 452982507 /nfs/dbraw/zinc/98/25/07/452982507.db2.gz WVSSWUBRKADIQG-AWEZNQCLSA-N 2 2 335.473 1.335 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000660075991 452990695 /nfs/dbraw/zinc/99/06/95/452990695.db2.gz DQEDALFADMAGOV-CQSZACIVSA-N 2 2 334.445 1.697 20 0 EDADLP Cc1[nH+]ccn1CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000654876234 452996963 /nfs/dbraw/zinc/99/69/63/452996963.db2.gz VWSNLWFLXWWMGG-UHFFFAOYSA-N 2 2 341.415 1.218 20 0 EDADLP OCC1([NH2+]Cc2cn3cc(Cl)cc(Cl)c3n2)CC[NH2+]CC1 ZINC000662287346 453012497 /nfs/dbraw/zinc/01/24/97/453012497.db2.gz YMUYZDUAQZCUDH-UHFFFAOYSA-N 2 2 329.231 1.845 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000662319518 453035117 /nfs/dbraw/zinc/03/51/17/453035117.db2.gz JLIUVGXFKGSINQ-QAPCUYQASA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000662319518 453035126 /nfs/dbraw/zinc/03/51/26/453035126.db2.gz JLIUVGXFKGSINQ-QAPCUYQASA-N 2 2 337.508 1.819 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000644151240 453083067 /nfs/dbraw/zinc/08/30/67/453083067.db2.gz HEPWZJJJHRMSOH-KRWDZBQOSA-N 2 2 347.459 1.216 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000662384858 453095293 /nfs/dbraw/zinc/09/52/93/453095293.db2.gz ZEHRPTJZRSBBAN-KRWDZBQOSA-N 2 2 334.464 1.125 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000662384858 453095301 /nfs/dbraw/zinc/09/53/01/453095301.db2.gz ZEHRPTJZRSBBAN-KRWDZBQOSA-N 2 2 334.464 1.125 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662387342 453097245 /nfs/dbraw/zinc/09/72/45/453097245.db2.gz KXYSOEDPZSALOK-CYBMUJFWSA-N 2 2 340.431 1.280 20 0 EDADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000646089779 453098676 /nfs/dbraw/zinc/09/86/76/453098676.db2.gz HSGFDAHKPZQTKO-INIZCTEOSA-N 2 2 341.402 1.535 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104650 453109674 /nfs/dbraw/zinc/10/96/74/453109674.db2.gz JRHRFVBRZFTBEZ-OAHLLOKOSA-N 2 2 347.459 1.819 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104650 453109680 /nfs/dbraw/zinc/10/96/80/453109680.db2.gz JRHRFVBRZFTBEZ-OAHLLOKOSA-N 2 2 347.459 1.819 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000655010569 453132693 /nfs/dbraw/zinc/13/26/93/453132693.db2.gz FBELNQNDSRZESP-BBRMVZONSA-N 2 2 339.867 1.468 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1CCO ZINC000655010569 453132695 /nfs/dbraw/zinc/13/26/95/453132695.db2.gz FBELNQNDSRZESP-BBRMVZONSA-N 2 2 339.867 1.468 20 0 EDADLP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000655011919 453133889 /nfs/dbraw/zinc/13/38/89/453133889.db2.gz TYVCZVCCUZTECU-HXUWFJFHSA-N 2 2 345.487 1.424 20 0 EDADLP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000655011919 453133898 /nfs/dbraw/zinc/13/38/98/453133898.db2.gz TYVCZVCCUZTECU-HXUWFJFHSA-N 2 2 345.487 1.424 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCCC[C@@H]1C1CCC1)[NH+]1CCOCC1 ZINC000646137439 453145471 /nfs/dbraw/zinc/14/54/71/453145471.db2.gz GNBVRCRSVAKODD-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000655038449 453159771 /nfs/dbraw/zinc/15/97/71/453159771.db2.gz WWRFCCINJWTNGB-OAHLLOKOSA-N 2 2 329.404 1.133 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC000660304299 453195560 /nfs/dbraw/zinc/19/55/60/453195560.db2.gz DAUUJJKKSPHMQL-NVXWUHKLSA-N 2 2 339.443 1.915 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC000660304299 453195566 /nfs/dbraw/zinc/19/55/66/453195566.db2.gz DAUUJJKKSPHMQL-NVXWUHKLSA-N 2 2 339.443 1.915 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648717603 453206829 /nfs/dbraw/zinc/20/68/29/453206829.db2.gz HTAKSAYVDQDXJQ-CRAIPNDOSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000648717603 453206841 /nfs/dbraw/zinc/20/68/41/453206841.db2.gz HTAKSAYVDQDXJQ-CRAIPNDOSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648719806 453209609 /nfs/dbraw/zinc/20/96/09/453209609.db2.gz MWJIPONXKJGYRW-KFWWJZLASA-N 2 2 337.489 1.578 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CC[N@H+]1C ZINC000648719806 453209611 /nfs/dbraw/zinc/20/96/11/453209611.db2.gz MWJIPONXKJGYRW-KFWWJZLASA-N 2 2 337.489 1.578 20 0 EDADLP CC(C)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc2c(c1)OCCO2 ZINC000653061571 453238539 /nfs/dbraw/zinc/23/85/39/453238539.db2.gz UZOYWGVTTOVKIT-RHSMWYFYSA-N 2 2 335.448 1.550 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc(Br)cc1 ZINC000653065808 453242882 /nfs/dbraw/zinc/24/28/82/453242882.db2.gz UHGDVVQHEHJRHS-ZDUSSCGKSA-N 2 2 328.254 1.387 20 0 EDADLP CC(C)c1nc(-c2ccccc2NC(=O)[C@H]([NH3+])CC[NH+](C)C)n[nH]1 ZINC000653074898 453252548 /nfs/dbraw/zinc/25/25/48/453252548.db2.gz ZXSUMVMKKSXJEG-CYBMUJFWSA-N 2 2 330.436 1.813 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cc(F)cc(Br)c1 ZINC000653076050 453254177 /nfs/dbraw/zinc/25/41/77/453254177.db2.gz HETPPJVHIWYZCS-LBPRGKRZSA-N 2 2 332.217 1.483 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000653078988 453259093 /nfs/dbraw/zinc/25/90/93/453259093.db2.gz PQDQCIODQKAAKY-MRXNPFEDSA-N 2 2 347.463 1.078 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000656536059 453260058 /nfs/dbraw/zinc/26/00/58/453260058.db2.gz HIJKFPHXBUOEMW-HNNXBMFYSA-N 2 2 349.479 1.462 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2cccc(Br)c2C1 ZINC000653092236 453274665 /nfs/dbraw/zinc/27/46/65/453274665.db2.gz WMNVWELEKDTZBD-CQSZACIVSA-N 2 2 340.265 1.613 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653106921 453290166 /nfs/dbraw/zinc/29/01/66/453290166.db2.gz QPNZLZWSCJBSAG-MOPGFXCFSA-N 2 2 345.487 1.874 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CC(F)(F)C[NH3+])c2)CCO1 ZINC000653112931 453300078 /nfs/dbraw/zinc/30/00/78/453300078.db2.gz NCYOHOREWFVDTE-CYBMUJFWSA-N 2 2 341.402 1.508 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CC(F)(F)C[NH3+])c2)CCO1 ZINC000653112931 453300084 /nfs/dbraw/zinc/30/00/84/453300084.db2.gz NCYOHOREWFVDTE-CYBMUJFWSA-N 2 2 341.402 1.508 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653124732 453317477 /nfs/dbraw/zinc/31/74/77/453317477.db2.gz FYGXRDBXHSAJCK-JLSDUUJJSA-N 2 2 328.460 1.817 20 0 EDADLP O[C@@H](COCc1ccco1)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660466751 453326507 /nfs/dbraw/zinc/32/65/07/453326507.db2.gz BRGYUPKPUFSTKA-DLBZAZTESA-N 2 2 338.448 1.344 20 0 EDADLP O[C@@H](COCc1ccco1)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660466751 453326515 /nfs/dbraw/zinc/32/65/15/453326515.db2.gz BRGYUPKPUFSTKA-DLBZAZTESA-N 2 2 338.448 1.344 20 0 EDADLP C[C@H](CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)[NH+](C)C ZINC000662633625 453349790 /nfs/dbraw/zinc/34/97/90/453349790.db2.gz MWVIITMLKWSCTL-QAPCUYQASA-N 3 2 343.475 1.258 20 0 EDADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653158759 453350935 /nfs/dbraw/zinc/35/09/35/453350935.db2.gz KQLKFPRZBNWDIY-ZWKOTPCHSA-N 3 2 348.491 1.227 20 0 EDADLP CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000653159625 453352367 /nfs/dbraw/zinc/35/23/67/453352367.db2.gz IPTPJXDPDNHKNK-WBVHZDCISA-N 2 2 348.491 1.921 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662671018 453384609 /nfs/dbraw/zinc/38/46/09/453384609.db2.gz JZPKGAZSTFCLOD-AWEZNQCLSA-N 2 2 326.322 1.535 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)c(F)c1 ZINC000653223331 453411129 /nfs/dbraw/zinc/41/11/29/453411129.db2.gz JOQZSAATUBKICQ-UHFFFAOYSA-N 2 2 329.366 1.878 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662709259 453432715 /nfs/dbraw/zinc/43/27/15/453432715.db2.gz YEAAESGIVCFHLJ-KURKYZTESA-N 2 2 343.471 1.754 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)C2=O)n1 ZINC000660658698 453496979 /nfs/dbraw/zinc/49/69/79/453496979.db2.gz JEYMDXQUWVQGSW-CRAIPNDOSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)C2=O)n1 ZINC000660658698 453496985 /nfs/dbraw/zinc/49/69/85/453496985.db2.gz JEYMDXQUWVQGSW-CRAIPNDOSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)C2=O)n1 ZINC000660658698 453496989 /nfs/dbraw/zinc/49/69/89/453496989.db2.gz JEYMDXQUWVQGSW-CRAIPNDOSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)C2=O)n1 ZINC000660658698 453496993 /nfs/dbraw/zinc/49/69/93/453496993.db2.gz JEYMDXQUWVQGSW-CRAIPNDOSA-N 2 2 331.464 1.333 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664936658 453500699 /nfs/dbraw/zinc/50/06/99/453500699.db2.gz YINIVTSBKOCFBZ-JYJNAYRXSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664936658 453500707 /nfs/dbraw/zinc/50/07/07/453500707.db2.gz YINIVTSBKOCFBZ-JYJNAYRXSA-N 2 2 328.501 1.515 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000660692439 453517285 /nfs/dbraw/zinc/51/72/85/453517285.db2.gz NJPHNKNXXPERBZ-MRXNPFEDSA-N 2 2 340.464 1.230 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000660692438 453517715 /nfs/dbraw/zinc/51/77/15/453517715.db2.gz NJPHNKNXXPERBZ-INIZCTEOSA-N 2 2 340.464 1.230 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H]3CCCC[NH2+]3)ccc2n1C ZINC000667262609 453521855 /nfs/dbraw/zinc/52/18/55/453521855.db2.gz JOCIVTMKSSELIV-ZDUSSCGKSA-N 2 2 329.404 1.079 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664995375 453536918 /nfs/dbraw/zinc/53/69/18/453536918.db2.gz HLELHJPGPCXCAV-OAHLLOKOSA-N 2 2 335.452 1.299 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cscn1 ZINC000660713214 453541664 /nfs/dbraw/zinc/54/16/64/453541664.db2.gz QAHDKRBYSWSFBG-CHWSQXEVSA-N 2 2 337.493 1.672 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cscn1 ZINC000660713214 453541666 /nfs/dbraw/zinc/54/16/66/453541666.db2.gz QAHDKRBYSWSFBG-CHWSQXEVSA-N 2 2 337.493 1.672 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646679009 453554861 /nfs/dbraw/zinc/55/48/61/453554861.db2.gz OSHTUQPDVJJARI-IEBWSBKVSA-N 2 2 345.487 1.703 20 0 EDADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000662877453 453584936 /nfs/dbraw/zinc/58/49/36/453584936.db2.gz CBQCADDDIZPROM-GDBMZVCRSA-N 2 2 326.400 1.745 20 0 EDADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000660847720 453605382 /nfs/dbraw/zinc/60/53/82/453605382.db2.gz SAEKVMZUMZQTMQ-HNNXBMFYSA-N 2 2 331.464 1.823 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000660847720 453605385 /nfs/dbraw/zinc/60/53/85/453605385.db2.gz SAEKVMZUMZQTMQ-HNNXBMFYSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000660855211 453611801 /nfs/dbraw/zinc/61/18/01/453611801.db2.gz LOIPTKZPTCMDMH-NVXWUHKLSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000660855211 453611806 /nfs/dbraw/zinc/61/18/06/453611806.db2.gz LOIPTKZPTCMDMH-NVXWUHKLSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660855211 453611812 /nfs/dbraw/zinc/61/18/12/453611812.db2.gz LOIPTKZPTCMDMH-NVXWUHKLSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660855211 453611818 /nfs/dbraw/zinc/61/18/18/453611818.db2.gz LOIPTKZPTCMDMH-NVXWUHKLSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233388 453617443 /nfs/dbraw/zinc/61/74/43/453617443.db2.gz GOCFPXOQLIZWCU-WBVHZDCISA-N 3 2 325.497 1.234 20 0 EDADLP CS(=O)(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000665251250 453624150 /nfs/dbraw/zinc/62/41/50/453624150.db2.gz KZDOBQRRMVLRSW-IAGOWNOFSA-N 2 2 337.489 1.146 20 0 EDADLP COc1c(C)cccc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665256818 453628228 /nfs/dbraw/zinc/62/82/28/453628228.db2.gz OSVUJHLCTZPFIL-UHFFFAOYSA-N 2 2 336.480 1.686 20 0 EDADLP COc1c(C)cccc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665256818 453628231 /nfs/dbraw/zinc/62/82/31/453628231.db2.gz OSVUJHLCTZPFIL-UHFFFAOYSA-N 2 2 336.480 1.686 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000665283224 453634795 /nfs/dbraw/zinc/63/47/95/453634795.db2.gz JKNUOVWPTJJESJ-VAMGGRTRSA-N 3 2 330.520 1.910 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000665283224 453634796 /nfs/dbraw/zinc/63/47/96/453634796.db2.gz JKNUOVWPTJJESJ-VAMGGRTRSA-N 3 2 330.520 1.910 20 0 EDADLP COc1cc(F)c([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC000665292232 453638868 /nfs/dbraw/zinc/63/88/68/453638868.db2.gz WQGTWSWXZHWBFN-VIFPVBQESA-N 2 2 336.367 1.648 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660949687 453658385 /nfs/dbraw/zinc/65/83/85/453658385.db2.gz GHZAQFQHEHVIFZ-LSDHHAIUSA-N 2 2 331.464 1.832 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660949687 453658387 /nfs/dbraw/zinc/65/83/87/453658387.db2.gz GHZAQFQHEHVIFZ-LSDHHAIUSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)[C@@H](C)CO1 ZINC000665355428 453663338 /nfs/dbraw/zinc/66/33/38/453663338.db2.gz UHTHCHJIIKHULA-RRFJBIMHSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)[C@@H](C)CO1 ZINC000665355428 453663342 /nfs/dbraw/zinc/66/33/42/453663342.db2.gz UHTHCHJIIKHULA-RRFJBIMHSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)[C@@H](C)CO1 ZINC000665355428 453663344 /nfs/dbraw/zinc/66/33/44/453663344.db2.gz UHTHCHJIIKHULA-RRFJBIMHSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)[C@@H](C)CO1 ZINC000665355428 453663348 /nfs/dbraw/zinc/66/33/48/453663348.db2.gz UHTHCHJIIKHULA-RRFJBIMHSA-N 2 2 326.485 1.268 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)C[C@H]1CCCC1(F)F ZINC000657092962 453676247 /nfs/dbraw/zinc/67/62/47/453676247.db2.gz UYDJGCOSFBHWSS-CYBMUJFWSA-N 2 2 341.468 1.225 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)C[C@H]1CCCC1(F)F ZINC000657092962 453676250 /nfs/dbraw/zinc/67/62/50/453676250.db2.gz UYDJGCOSFBHWSS-CYBMUJFWSA-N 2 2 341.468 1.225 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000659255082 453686418 /nfs/dbraw/zinc/68/64/18/453686418.db2.gz FJUJDLKHNHEIOI-JKSUJKDBSA-N 2 2 347.463 1.036 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000659288130 453702899 /nfs/dbraw/zinc/70/28/99/453702899.db2.gz ARIAHTPKGJEDLY-LSDHHAIUSA-N 2 2 334.395 1.517 20 0 EDADLP CC(C)(C)n1ncc2c1nc(NCCC[NH+]1CCOCC1)[nH+]c2N ZINC000663317917 453767118 /nfs/dbraw/zinc/76/71/18/453767118.db2.gz RHBCQHLITWOQJB-UHFFFAOYSA-N 2 2 333.440 1.298 20 0 EDADLP c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657364720 453774730 /nfs/dbraw/zinc/77/47/30/453774730.db2.gz OQCFHLNBFKQDHS-INIZCTEOSA-N 3 2 341.459 1.858 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)n1C ZINC000657420194 453784034 /nfs/dbraw/zinc/78/40/34/453784034.db2.gz BIVDZNONHGZGKU-GFCCVEGCSA-N 2 2 330.396 1.774 20 0 EDADLP CCc1nn(C)c(OC)c1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657425192 453784909 /nfs/dbraw/zinc/78/49/09/453784909.db2.gz DTOILFUHRGINAY-UHFFFAOYSA-N 2 2 326.404 1.862 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)nc[nH+]2)CC1 ZINC000663386089 453785709 /nfs/dbraw/zinc/78/57/09/453785709.db2.gz AZDOKDJCNUEAQJ-CQSZACIVSA-N 2 2 331.464 1.724 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3CC[N@H+](C4CC4)C3)nc[nH+]2)CC1 ZINC000663386089 453785714 /nfs/dbraw/zinc/78/57/14/453785714.db2.gz AZDOKDJCNUEAQJ-CQSZACIVSA-N 2 2 331.464 1.724 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3CC[N@@H+](C4CC4)C3)[nH+]cn2)CC1 ZINC000663386089 453785718 /nfs/dbraw/zinc/78/57/18/453785718.db2.gz AZDOKDJCNUEAQJ-CQSZACIVSA-N 2 2 331.464 1.724 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3CC[N@H+](C4CC4)C3)[nH+]cn2)CC1 ZINC000663386089 453785723 /nfs/dbraw/zinc/78/57/23/453785723.db2.gz AZDOKDJCNUEAQJ-CQSZACIVSA-N 2 2 331.464 1.724 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661365439 453801119 /nfs/dbraw/zinc/80/11/19/453801119.db2.gz ACTXCVIQQCYOMP-BRWVUGGUSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661365439 453801122 /nfs/dbraw/zinc/80/11/22/453801122.db2.gz ACTXCVIQQCYOMP-BRWVUGGUSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CCOC2(C[NH2+]C2)C1 ZINC000663488856 453808607 /nfs/dbraw/zinc/80/86/07/453808607.db2.gz ZYDNLEMVYKFUHK-UHFFFAOYSA-N 2 2 325.368 1.688 20 0 EDADLP C[C@@H](CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)[NH+](C)C ZINC000663515568 453813820 /nfs/dbraw/zinc/81/38/20/453813820.db2.gz HEHWEFINLZPTRO-FUHWJXTLSA-N 2 2 348.491 1.699 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663542319 453819154 /nfs/dbraw/zinc/81/91/54/453819154.db2.gz GZDDVSZOUXTGBB-UHFFFAOYSA-N 2 2 341.459 1.807 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000683340609 486692427 /nfs/dbraw/zinc/69/24/27/486692427.db2.gz BXNPYCYEXBUVBK-UHFFFAOYSA-N 2 2 334.222 1.996 20 0 EDADLP CN(C(=O)C(C)(C)c1cnn(C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680196835 486718690 /nfs/dbraw/zinc/71/86/90/486718690.db2.gz PQFYXCZCXBUFRK-QGZVFWFLSA-N 2 2 347.507 1.325 20 0 EDADLP CN(C(=O)C(C)(C)c1cnn(C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680196835 486718691 /nfs/dbraw/zinc/71/86/91/486718691.db2.gz PQFYXCZCXBUFRK-QGZVFWFLSA-N 2 2 347.507 1.325 20 0 EDADLP CN(C)C(=O)CN1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680327194 486750444 /nfs/dbraw/zinc/75/04/44/486750444.db2.gz WVBCJSVNKXGMEW-UHFFFAOYSA-N 2 2 333.461 1.140 20 0 EDADLP CCCCn1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000676426591 486764984 /nfs/dbraw/zinc/76/49/84/486764984.db2.gz UTWALBRAMSBPSJ-INIZCTEOSA-N 2 2 347.507 1.890 20 0 EDADLP CCCCn1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000676426591 486764986 /nfs/dbraw/zinc/76/49/86/486764986.db2.gz UTWALBRAMSBPSJ-INIZCTEOSA-N 2 2 347.507 1.890 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000578075958 486781410 /nfs/dbraw/zinc/78/14/10/486781410.db2.gz SCADKDNRQDKIPA-DJIMGWMZSA-N 2 2 337.489 1.445 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000578075958 486781414 /nfs/dbraw/zinc/78/14/14/486781414.db2.gz SCADKDNRQDKIPA-DJIMGWMZSA-N 2 2 337.489 1.445 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417047478 486792078 /nfs/dbraw/zinc/79/20/78/486792078.db2.gz YJWBFQVTVDBBND-KZNAEPCWSA-N 2 2 346.475 1.629 20 0 EDADLP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417960805 486817053 /nfs/dbraw/zinc/81/70/53/486817053.db2.gz XUUNFCJVIYKOHC-GJZGRUSLSA-N 2 2 326.391 1.571 20 0 EDADLP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417960805 486817058 /nfs/dbraw/zinc/81/70/58/486817058.db2.gz XUUNFCJVIYKOHC-GJZGRUSLSA-N 2 2 326.391 1.571 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)Cc2cn[nH]c2)CC1 ZINC000676704512 486847945 /nfs/dbraw/zinc/84/79/45/486847945.db2.gz MGCIXADXVHMYEL-MRXNPFEDSA-N 2 2 341.459 1.747 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cn[nH]c2)CC1 ZINC000676704512 486847947 /nfs/dbraw/zinc/84/79/47/486847947.db2.gz MGCIXADXVHMYEL-MRXNPFEDSA-N 2 2 341.459 1.747 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895152 486856509 /nfs/dbraw/zinc/85/65/09/486856509.db2.gz GRQOTWGALNWSLK-AWEZNQCLSA-N 2 2 345.422 1.718 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683912299 486865447 /nfs/dbraw/zinc/86/54/47/486865447.db2.gz LBHSRUZJUCYCAP-SFHVURJKSA-N 2 2 330.432 1.260 20 0 EDADLP O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667615000 486879715 /nfs/dbraw/zinc/87/97/15/486879715.db2.gz DEDGCYWYCYAGQO-INIZCTEOSA-N 2 2 325.416 1.854 20 0 EDADLP O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667615000 486879718 /nfs/dbraw/zinc/87/97/18/486879718.db2.gz DEDGCYWYCYAGQO-INIZCTEOSA-N 2 2 325.416 1.854 20 0 EDADLP OCC[N@H+](CCOCC(F)(F)F)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667618374 486883561 /nfs/dbraw/zinc/88/35/61/486883561.db2.gz WTXVLWKBRWKFOR-UHFFFAOYSA-N 2 2 344.337 1.641 20 0 EDADLP OCC[N@@H+](CCOCC(F)(F)F)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667618374 486883566 /nfs/dbraw/zinc/88/35/66/486883566.db2.gz WTXVLWKBRWKFOR-UHFFFAOYSA-N 2 2 344.337 1.641 20 0 EDADLP CCc1ccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000667640975 486893562 /nfs/dbraw/zinc/89/35/62/486893562.db2.gz GFWPLDHHOATNOZ-UHFFFAOYSA-N 2 2 344.503 1.861 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673083052 486904709 /nfs/dbraw/zinc/90/47/09/486904709.db2.gz VNXVSCRJGGJCOU-AWEZNQCLSA-N 2 2 328.420 1.963 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1nc2ccccc2s1 ZINC000320490253 486938711 /nfs/dbraw/zinc/93/87/11/486938711.db2.gz AQHFLUFRQVMBFB-UHFFFAOYSA-N 2 2 333.461 1.072 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1nc2ccccc2s1 ZINC000320490253 486938714 /nfs/dbraw/zinc/93/87/14/486938714.db2.gz AQHFLUFRQVMBFB-UHFFFAOYSA-N 2 2 333.461 1.072 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667727566 486936806 /nfs/dbraw/zinc/93/68/06/486936806.db2.gz BONGPVUTTXPTBV-UHFFFAOYSA-N 2 2 347.463 1.163 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000677095575 486973381 /nfs/dbraw/zinc/97/33/81/486973381.db2.gz DEANLSCXDLBIHS-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP CN(C(=O)N[C@H]1CCC(F)(F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217452 486977354 /nfs/dbraw/zinc/97/73/54/486977354.db2.gz SCACJIMTWOVGIT-ZFWWWQNUSA-N 2 2 344.450 1.984 20 0 EDADLP CN(C(=O)N[C@H]1CCC(F)(F)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217452 486977358 /nfs/dbraw/zinc/97/73/58/486977358.db2.gz SCACJIMTWOVGIT-ZFWWWQNUSA-N 2 2 344.450 1.984 20 0 EDADLP CCc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000681219464 486978834 /nfs/dbraw/zinc/97/88/34/486978834.db2.gz XHOSDKHIAZDSCD-MRXNPFEDSA-N 2 2 349.479 1.547 20 0 EDADLP CCc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000681219464 486978841 /nfs/dbraw/zinc/97/88/41/486978841.db2.gz XHOSDKHIAZDSCD-MRXNPFEDSA-N 2 2 349.479 1.547 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000321194296 486984690 /nfs/dbraw/zinc/98/46/90/486984690.db2.gz GLNWHRFFNKQFAY-SOUVJXGZSA-N 2 2 337.489 1.613 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000677172986 486992639 /nfs/dbraw/zinc/99/26/39/486992639.db2.gz NNGRCHCJINWTMK-QZWWFDLISA-N 2 2 325.497 1.673 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000677172986 486992643 /nfs/dbraw/zinc/99/26/43/486992643.db2.gz NNGRCHCJINWTMK-QZWWFDLISA-N 2 2 325.497 1.673 20 0 EDADLP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000667862293 486994816 /nfs/dbraw/zinc/99/48/16/486994816.db2.gz RHGRXXJAVGITSA-FUHWJXTLSA-N 2 2 335.492 1.478 20 0 EDADLP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000667862293 486994823 /nfs/dbraw/zinc/99/48/23/486994823.db2.gz RHGRXXJAVGITSA-FUHWJXTLSA-N 2 2 335.492 1.478 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c[nH+]1 ZINC000684381804 487044012 /nfs/dbraw/zinc/04/40/12/487044012.db2.gz POOFXRRJZKHZKG-YOEHRIQHSA-N 2 2 327.432 1.840 20 0 EDADLP CN(C(=O)Cn1cncn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290576 487033698 /nfs/dbraw/zinc/03/36/98/487033698.db2.gz NEDNLEPIXDNOHK-IAGOWNOFSA-N 2 2 348.495 1.074 20 0 EDADLP CN(C(=O)Cn1cncn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290576 487033702 /nfs/dbraw/zinc/03/37/02/487033702.db2.gz NEDNLEPIXDNOHK-IAGOWNOFSA-N 2 2 348.495 1.074 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000673757421 487107831 /nfs/dbraw/zinc/10/78/31/487107831.db2.gz PZCVTBRWMHUGII-CYBMUJFWSA-N 2 2 348.451 1.002 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000673757421 487107835 /nfs/dbraw/zinc/10/78/35/487107835.db2.gz PZCVTBRWMHUGII-CYBMUJFWSA-N 2 2 348.451 1.002 20 0 EDADLP O=C(Nc1nncs1)C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000668158441 487123663 /nfs/dbraw/zinc/12/36/63/487123663.db2.gz SJSHJBYNCXFJPO-UHFFFAOYSA-N 2 2 332.433 1.532 20 0 EDADLP CN(CC[NH+](C)C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000673879609 487145123 /nfs/dbraw/zinc/14/51/23/487145123.db2.gz BFRUMUUEIAHALP-MRXNPFEDSA-N 2 2 329.448 1.907 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cn[nH]c2)CC1 ZINC000673926980 487160034 /nfs/dbraw/zinc/16/00/34/487160034.db2.gz FCKFVSPJGXMXFU-UHFFFAOYSA-N 2 2 341.459 1.494 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)Cc2cn[nH]c2)CC1 ZINC000673926980 487160037 /nfs/dbraw/zinc/16/00/37/487160037.db2.gz FCKFVSPJGXMXFU-UHFFFAOYSA-N 2 2 341.459 1.494 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)[NH+]1CCC(C)CC1 ZINC000684830608 487172305 /nfs/dbraw/zinc/17/23/05/487172305.db2.gz JDRMKGSXOROEIQ-FUHWJXTLSA-N 2 2 349.523 1.896 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)n1C ZINC000674405645 487253909 /nfs/dbraw/zinc/25/39/09/487253909.db2.gz VJTSNMWCSLAUHP-CYBMUJFWSA-N 2 2 331.424 1.229 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000685594773 487300765 /nfs/dbraw/zinc/30/07/65/487300765.db2.gz HEVKUTAMYFBQML-MRXNPFEDSA-N 2 2 325.478 1.434 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000685594773 487300768 /nfs/dbraw/zinc/30/07/68/487300768.db2.gz HEVKUTAMYFBQML-MRXNPFEDSA-N 2 2 325.478 1.434 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000678584653 487338602 /nfs/dbraw/zinc/33/86/02/487338602.db2.gz CTCKCVXSEGAUPI-QAPCUYQASA-N 2 2 330.476 1.940 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000678584653 487338603 /nfs/dbraw/zinc/33/86/03/487338603.db2.gz CTCKCVXSEGAUPI-QAPCUYQASA-N 2 2 330.476 1.940 20 0 EDADLP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000678685396 487352433 /nfs/dbraw/zinc/35/24/33/487352433.db2.gz PEEHLNXSIUPONT-QGZVFWFLSA-N 2 2 346.431 1.594 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000675186733 487386000 /nfs/dbraw/zinc/38/60/00/487386000.db2.gz QNHUJEXXPWFDAP-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000675186733 487386002 /nfs/dbraw/zinc/38/60/02/487386002.db2.gz QNHUJEXXPWFDAP-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000675194478 487387908 /nfs/dbraw/zinc/38/79/08/487387908.db2.gz OJYBJGUNOZTLJQ-KRWDZBQOSA-N 2 2 348.495 1.122 20 0 EDADLP CN(C(=O)C(C)(C)c1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679233690 487404248 /nfs/dbraw/zinc/40/42/48/487404248.db2.gz VLPYEBKWWZLALC-GOSISDBHSA-N 2 2 344.503 1.986 20 0 EDADLP CN(C(=O)C(C)(C)c1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679233690 487404249 /nfs/dbraw/zinc/40/42/49/487404249.db2.gz VLPYEBKWWZLALC-GOSISDBHSA-N 2 2 344.503 1.986 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000675781994 487443817 /nfs/dbraw/zinc/44/38/17/487443817.db2.gz JPRJUGSVIHHYOI-NSHDSACASA-N 2 2 345.365 1.852 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnn3C3CCCC3)C2)CC1 ZINC000675795446 487445180 /nfs/dbraw/zinc/44/51/80/487445180.db2.gz DHKWMQVNOOHYER-OAHLLOKOSA-N 2 2 345.491 1.897 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnn3C3CCCC3)C2)CC1 ZINC000675795446 487445181 /nfs/dbraw/zinc/44/51/81/487445181.db2.gz DHKWMQVNOOHYER-OAHLLOKOSA-N 2 2 345.491 1.897 20 0 EDADLP Cc1cc(C)cc(OCC[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000675899873 487457771 /nfs/dbraw/zinc/45/77/71/487457771.db2.gz QEQRTLJXWUYAJN-LJQANCHMSA-N 2 2 345.487 1.921 20 0 EDADLP Cc1cc(C)cc(OCC[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000675899873 487457774 /nfs/dbraw/zinc/45/77/74/487457774.db2.gz QEQRTLJXWUYAJN-LJQANCHMSA-N 2 2 345.487 1.921 20 0 EDADLP CO[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1Cl ZINC000669534994 485514738 /nfs/dbraw/zinc/51/47/38/485514738.db2.gz UNTVFXYAGCOZCT-DOMZBBRYSA-N 2 2 340.855 1.312 20 0 EDADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1Cl ZINC000669534994 485514741 /nfs/dbraw/zinc/51/47/41/485514741.db2.gz UNTVFXYAGCOZCT-DOMZBBRYSA-N 2 2 340.855 1.312 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C1)CCC2 ZINC000669541083 485526056 /nfs/dbraw/zinc/52/60/56/485526056.db2.gz MRJDNSVRTPZLAJ-YHUYYLMFSA-N 2 2 331.464 1.838 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000669028458 485576187 /nfs/dbraw/zinc/57/61/87/485576187.db2.gz YVRYEUOIAOEZNL-GWCFXTLKSA-N 2 2 337.811 1.245 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CCc2ccccc21 ZINC000670986336 485611147 /nfs/dbraw/zinc/61/11/47/485611147.db2.gz CKVMQQWZRLASEF-GOSISDBHSA-N 2 2 343.471 1.762 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CCc2ccccc21 ZINC000670986336 485611153 /nfs/dbraw/zinc/61/11/53/485611153.db2.gz CKVMQQWZRLASEF-GOSISDBHSA-N 2 2 343.471 1.762 20 0 EDADLP COc1ccc(-c2noc(C[N@H+](C)CCN3CC[NH2+]CC3)n2)cc1 ZINC000324788629 485619166 /nfs/dbraw/zinc/61/91/66/485619166.db2.gz KYDFDVAZMMRFPG-UHFFFAOYSA-N 2 2 331.420 1.082 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+](C)CCN3CC[NH2+]CC3)n2)cc1 ZINC000324788629 485619170 /nfs/dbraw/zinc/61/91/70/485619170.db2.gz KYDFDVAZMMRFPG-UHFFFAOYSA-N 2 2 331.420 1.082 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673669453 485629698 /nfs/dbraw/zinc/62/96/98/485629698.db2.gz QRUFWTPRHVWOBX-MRXNPFEDSA-N 2 2 334.489 1.211 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673669453 485629703 /nfs/dbraw/zinc/62/97/03/485629703.db2.gz QRUFWTPRHVWOBX-MRXNPFEDSA-N 2 2 334.489 1.211 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC2CCC(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000669212503 485813977 /nfs/dbraw/zinc/81/39/77/485813977.db2.gz AYBAUCNGZHYOOU-ABHNRTSZSA-N 2 2 330.476 1.997 20 0 EDADLP C[N@H+]1CCN(C(=O)NC2CCC(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000669212503 485813978 /nfs/dbraw/zinc/81/39/78/485813978.db2.gz AYBAUCNGZHYOOU-ABHNRTSZSA-N 2 2 330.476 1.997 20 0 EDADLP O=S(=O)(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1Cn1cc[nH+]c1 ZINC000669624999 485875428 /nfs/dbraw/zinc/87/54/28/485875428.db2.gz SMOKITJTQKIHMR-OAHLLOKOSA-N 2 2 346.456 1.446 20 0 EDADLP O=S(=O)(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cn1cc[nH+]c1 ZINC000669624999 485875434 /nfs/dbraw/zinc/87/54/34/485875434.db2.gz SMOKITJTQKIHMR-OAHLLOKOSA-N 2 2 346.456 1.446 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000236654673 485932138 /nfs/dbraw/zinc/93/21/38/485932138.db2.gz JVZPTJRMTRRTBS-MSOLQXFVSA-N 2 2 345.487 1.863 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000236654673 485932142 /nfs/dbraw/zinc/93/21/42/485932142.db2.gz JVZPTJRMTRRTBS-MSOLQXFVSA-N 2 2 345.487 1.863 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(O)CCCC(C)(C)C3)C2)CC1 ZINC000668639946 485983004 /nfs/dbraw/zinc/98/30/04/485983004.db2.gz ODCBXSZODDOTQU-HNAYVOBHSA-N 2 2 337.508 1.602 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(O)CCCC(C)(C)C3)C2)CC1 ZINC000668639946 485983012 /nfs/dbraw/zinc/98/30/12/485983012.db2.gz ODCBXSZODDOTQU-HNAYVOBHSA-N 2 2 337.508 1.602 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)NC[C@H]1CCCC[NH2+]1 ZINC000669366432 486013173 /nfs/dbraw/zinc/01/31/73/486013173.db2.gz RYNRKMZKDTXKGW-QZTJIDSGSA-N 2 2 346.475 1.501 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000237971182 486021305 /nfs/dbraw/zinc/02/13/05/486021305.db2.gz DOISXMYBFXXANC-MRXNPFEDSA-N 2 2 329.400 1.369 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000237971182 486021310 /nfs/dbraw/zinc/02/13/10/486021310.db2.gz DOISXMYBFXXANC-MRXNPFEDSA-N 2 2 329.400 1.369 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000669388021 486022553 /nfs/dbraw/zinc/02/25/53/486022553.db2.gz VTSSYPMZTSFIRA-OAHLLOKOSA-N 2 2 331.464 1.739 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668690117 486051655 /nfs/dbraw/zinc/05/16/55/486051655.db2.gz SULNNRVRIZPNMI-HZPDHXFCSA-N 3 2 333.480 1.008 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668690117 486051661 /nfs/dbraw/zinc/05/16/61/486051661.db2.gz SULNNRVRIZPNMI-HZPDHXFCSA-N 3 2 333.480 1.008 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000668690117 486051665 /nfs/dbraw/zinc/05/16/65/486051665.db2.gz SULNNRVRIZPNMI-HZPDHXFCSA-N 2 2 333.480 1.008 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000668690117 486051671 /nfs/dbraw/zinc/05/16/71/486051671.db2.gz SULNNRVRIZPNMI-HZPDHXFCSA-N 2 2 333.480 1.008 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(-c2ccncc2)n1 ZINC000668741439 486113908 /nfs/dbraw/zinc/11/39/08/486113908.db2.gz TWKUXHUCOWSWHB-GOSISDBHSA-N 2 2 341.459 1.513 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(-c2ccncc2)n1 ZINC000668741439 486113915 /nfs/dbraw/zinc/11/39/15/486113915.db2.gz TWKUXHUCOWSWHB-GOSISDBHSA-N 2 2 341.459 1.513 20 0 EDADLP CN(Cc1cn(C2CCC2)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668160799 486183370 /nfs/dbraw/zinc/18/33/70/486183370.db2.gz HDKZQOCVTVIVKH-GOSISDBHSA-N 2 2 332.496 1.603 20 0 EDADLP CN(Cc1cn(C2CCC2)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668160799 486183378 /nfs/dbraw/zinc/18/33/78/486183378.db2.gz HDKZQOCVTVIVKH-GOSISDBHSA-N 2 2 332.496 1.603 20 0 EDADLP C[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000669474542 486227824 /nfs/dbraw/zinc/22/78/24/486227824.db2.gz OPPAXXDXLTXYIN-NEPJUHHUSA-N 2 2 326.391 1.576 20 0 EDADLP C[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000669474542 486227830 /nfs/dbraw/zinc/22/78/30/486227830.db2.gz OPPAXXDXLTXYIN-NEPJUHHUSA-N 2 2 326.391 1.576 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000653298618 486295932 /nfs/dbraw/zinc/29/59/32/486295932.db2.gz ZAXPPUIUQNWILX-ZBFHGGJFSA-N 2 2 327.432 1.300 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000653298618 486295935 /nfs/dbraw/zinc/29/59/35/486295935.db2.gz ZAXPPUIUQNWILX-ZBFHGGJFSA-N 2 2 327.432 1.300 20 0 EDADLP Cc1nc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c(Br)c(C)[nH+]1 ZINC000404111427 486636995 /nfs/dbraw/zinc/63/69/95/486636995.db2.gz AUGVZEHNJBSDAV-MNOVXSKESA-N 2 2 327.226 1.423 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000135577786 491229102 /nfs/dbraw/zinc/22/91/02/491229102.db2.gz FHDKTIJULKKESM-INIZCTEOSA-N 2 2 333.480 1.330 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000135577786 491229105 /nfs/dbraw/zinc/22/91/05/491229105.db2.gz FHDKTIJULKKESM-INIZCTEOSA-N 2 2 333.480 1.330 20 0 EDADLP C[C@H](CO)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000120748038 490998077 /nfs/dbraw/zinc/99/80/77/490998077.db2.gz NVCSRRONDQGAGS-ZWKOTPCHSA-N 2 2 332.492 1.544 20 0 EDADLP C[C@H](CO)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000120748038 490998078 /nfs/dbraw/zinc/99/80/78/490998078.db2.gz NVCSRRONDQGAGS-ZWKOTPCHSA-N 2 2 332.492 1.544 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)[NH+](C)C ZINC000078694797 491002187 /nfs/dbraw/zinc/00/21/87/491002187.db2.gz TXRGTNIZYKHIJY-LBPRGKRZSA-N 2 2 325.375 1.050 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000305273268 491010853 /nfs/dbraw/zinc/01/08/53/491010853.db2.gz ADRFBHVDCHZLKK-HLLBOEOZSA-N 2 2 331.416 1.721 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000305273268 491010854 /nfs/dbraw/zinc/01/08/54/491010854.db2.gz ADRFBHVDCHZLKK-HLLBOEOZSA-N 2 2 331.416 1.721 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)[C@H]2C1 ZINC000305359992 491011070 /nfs/dbraw/zinc/01/10/70/491011070.db2.gz SXTCKXOSERKVJP-YRPNKDGESA-N 2 2 348.487 1.748 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000305359992 491011072 /nfs/dbraw/zinc/01/10/72/491011072.db2.gz SXTCKXOSERKVJP-YRPNKDGESA-N 2 2 348.487 1.748 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000305359992 491011073 /nfs/dbraw/zinc/01/10/73/491011073.db2.gz SXTCKXOSERKVJP-YRPNKDGESA-N 2 2 348.487 1.748 20 0 EDADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1Br ZINC000578247751 500971072 /nfs/dbraw/zinc/97/10/72/500971072.db2.gz HXNXNKHMCCZHHU-OCCSQVGLSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1Br ZINC000578247751 500971076 /nfs/dbraw/zinc/97/10/76/500971076.db2.gz HXNXNKHMCCZHHU-OCCSQVGLSA-N 2 2 338.249 1.501 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000154002275 534227603 /nfs/dbraw/zinc/22/76/03/534227603.db2.gz INCDKTIBSRNKMC-CALCHBBNSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000154002275 534227605 /nfs/dbraw/zinc/22/76/05/534227605.db2.gz INCDKTIBSRNKMC-CALCHBBNSA-N 2 2 336.524 1.536 20 0 EDADLP COC(=O)c1cccc([C@H](C(=O)OC)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181110139 534282588 /nfs/dbraw/zinc/28/25/88/534282588.db2.gz CSIJUYFDYORHQD-MRXNPFEDSA-N 2 2 345.399 1.906 20 0 EDADLP COC(=O)c1cccc([C@H](C(=O)OC)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181110139 534282591 /nfs/dbraw/zinc/28/25/91/534282591.db2.gz CSIJUYFDYORHQD-MRXNPFEDSA-N 2 2 345.399 1.906 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000187165778 528091284 /nfs/dbraw/zinc/09/12/84/528091284.db2.gz KRZKXUWZYWBLGX-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000133235071 528354109 /nfs/dbraw/zinc/35/41/09/528354109.db2.gz RFMBTNCGYBHVMB-MSOLQXFVSA-N 2 2 333.476 1.450 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCn2cc[nH+]c2)CC1 ZINC000183382133 528634911 /nfs/dbraw/zinc/63/49/11/528634911.db2.gz KOMXPINAGZKXKQ-CQSZACIVSA-N 2 2 336.436 1.053 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000168165164 528963767 /nfs/dbraw/zinc/96/37/67/528963767.db2.gz HVLJBCMPAFMFMO-KGLIPLIRSA-N 2 2 325.478 1.707 20 0 EDADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332290054 535005339 /nfs/dbraw/zinc/00/53/39/535005339.db2.gz JBMPSHDHXSIAON-UONOGXRCSA-N 2 2 337.468 1.254 20 0 EDADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332290054 535005344 /nfs/dbraw/zinc/00/53/44/535005344.db2.gz JBMPSHDHXSIAON-UONOGXRCSA-N 2 2 337.468 1.254 20 0 EDADLP CC(C)N1CC[C@H]([N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000249532050 535242997 /nfs/dbraw/zinc/24/29/97/535242997.db2.gz BDWOUTMHAOGEPN-ICSRJNTNSA-N 2 2 345.487 1.565 20 0 EDADLP CC(C)N1CC[C@H]([N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000249532050 535242998 /nfs/dbraw/zinc/24/29/98/535242998.db2.gz BDWOUTMHAOGEPN-ICSRJNTNSA-N 2 2 345.487 1.565 20 0 EDADLP CC(C)N1CC[C@H]([NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000249532050 535243002 /nfs/dbraw/zinc/24/30/02/535243002.db2.gz BDWOUTMHAOGEPN-ICSRJNTNSA-N 2 2 345.487 1.565 20 0 EDADLP CC(C)N1CC[C@H]([NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000249532050 535243005 /nfs/dbraw/zinc/24/30/05/535243005.db2.gz BDWOUTMHAOGEPN-ICSRJNTNSA-N 2 2 345.487 1.565 20 0 EDADLP CC(C)Cc1noc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000195519232 535342989 /nfs/dbraw/zinc/34/29/89/535342989.db2.gz WIBARPJBFVATAN-UHFFFAOYSA-N 2 2 337.468 1.158 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000340040940 535565031 /nfs/dbraw/zinc/56/50/31/535565031.db2.gz BTDLSWAFJIJMPR-UHFFFAOYSA-N 2 2 340.493 1.443 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000339949175 535574761 /nfs/dbraw/zinc/57/47/61/535574761.db2.gz UZRLTIHFTSMMLG-MRXNPFEDSA-N 2 2 333.480 1.639 20 0 EDADLP CC[NH+](CC)Cc1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000345836882 535611840 /nfs/dbraw/zinc/61/18/40/535611840.db2.gz GYCDBVPXHGGEOA-UHFFFAOYSA-N 2 2 330.436 1.725 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000346942205 535644379 /nfs/dbraw/zinc/64/43/79/535644379.db2.gz JXSOOSRIHTYCKX-UKRRQHHQSA-N 2 2 340.493 1.457 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261604636 535702075 /nfs/dbraw/zinc/70/20/75/535702075.db2.gz AJSXRRQLTMSLBP-SJORKVTESA-N 2 2 346.475 1.653 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263333759 535767254 /nfs/dbraw/zinc/76/72/54/535767254.db2.gz VQXMHAVLPQXVIT-GJZGRUSLSA-N 2 2 325.815 1.950 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263333759 535767257 /nfs/dbraw/zinc/76/72/57/535767257.db2.gz VQXMHAVLPQXVIT-GJZGRUSLSA-N 2 2 325.815 1.950 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000082992029 536119612 /nfs/dbraw/zinc/11/96/12/536119612.db2.gz PNERKQSBYUDMGP-GOSISDBHSA-N 2 2 331.460 1.613 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000272073903 536333531 /nfs/dbraw/zinc/33/35/31/536333531.db2.gz KEQSWSMUAXGKMV-UHFFFAOYSA-N 2 2 339.443 1.993 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000272073903 536333533 /nfs/dbraw/zinc/33/35/33/536333533.db2.gz KEQSWSMUAXGKMV-UHFFFAOYSA-N 2 2 339.443 1.993 20 0 EDADLP C[N@H+](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000264901847 536381822 /nfs/dbraw/zinc/38/18/22/536381822.db2.gz VAVIEWURUCZUKL-UHFFFAOYSA-N 2 2 331.395 1.905 20 0 EDADLP C[N@@H+](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000264901847 536381825 /nfs/dbraw/zinc/38/18/25/536381825.db2.gz VAVIEWURUCZUKL-UHFFFAOYSA-N 2 2 331.395 1.905 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333022286 536443624 /nfs/dbraw/zinc/44/36/24/536443624.db2.gz JPMANNKNQQJHGM-HOTGVXAUSA-N 2 2 332.448 1.015 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333022286 536443626 /nfs/dbraw/zinc/44/36/26/536443626.db2.gz JPMANNKNQQJHGM-HOTGVXAUSA-N 2 2 332.448 1.015 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000353323426 536898397 /nfs/dbraw/zinc/89/83/97/536898397.db2.gz ZRVGSDCXTWZEEL-FQLMCAECSA-N 2 2 340.439 1.955 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000353323426 536898400 /nfs/dbraw/zinc/89/84/00/536898400.db2.gz ZRVGSDCXTWZEEL-FQLMCAECSA-N 2 2 340.439 1.955 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000726254589 578338415 /nfs/dbraw/zinc/33/84/15/578338415.db2.gz HAKOMAXOCKSIJM-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000726254589 578338416 /nfs/dbraw/zinc/33/84/16/578338416.db2.gz HAKOMAXOCKSIJM-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000726254589 578338417 /nfs/dbraw/zinc/33/84/17/578338417.db2.gz HAKOMAXOCKSIJM-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000726254589 578338418 /nfs/dbraw/zinc/33/84/18/578338418.db2.gz HAKOMAXOCKSIJM-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000726256876 578339357 /nfs/dbraw/zinc/33/93/57/578339357.db2.gz QINNMZRQJKNVON-SJORKVTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000726256876 578339359 /nfs/dbraw/zinc/33/93/59/578339359.db2.gz QINNMZRQJKNVON-SJORKVTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000726256876 578339360 /nfs/dbraw/zinc/33/93/60/578339360.db2.gz QINNMZRQJKNVON-SJORKVTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000726256876 578339362 /nfs/dbraw/zinc/33/93/62/578339362.db2.gz QINNMZRQJKNVON-SJORKVTESA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+](C)CCNC(=S)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000727286923 578525594 /nfs/dbraw/zinc/52/55/94/578525594.db2.gz JYLJQOOOHICZAF-UHFFFAOYSA-N 2 2 327.523 1.087 20 0 EDADLP C[NH+](C)CCNC(=S)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000727286923 578525595 /nfs/dbraw/zinc/52/55/95/578525595.db2.gz JYLJQOOOHICZAF-UHFFFAOYSA-N 2 2 327.523 1.087 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)NCc3[nH+]ccn3C)cc2)CC1 ZINC000728685320 578550307 /nfs/dbraw/zinc/55/03/07/578550307.db2.gz HZWQDSGVQSDMFO-UHFFFAOYSA-N 2 2 342.447 1.884 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729500065 578578344 /nfs/dbraw/zinc/57/83/44/578578344.db2.gz RPXRXBOSNUWYHV-ROUUACIJSA-N 2 2 344.459 1.165 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729500065 578578345 /nfs/dbraw/zinc/57/83/45/578578345.db2.gz RPXRXBOSNUWYHV-ROUUACIJSA-N 2 2 344.459 1.165 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000729605798 578584427 /nfs/dbraw/zinc/58/44/27/578584427.db2.gz MIPGWNDVVNOKDP-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000729605798 578584428 /nfs/dbraw/zinc/58/44/28/578584428.db2.gz MIPGWNDVVNOKDP-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000729605798 578584429 /nfs/dbraw/zinc/58/44/29/578584429.db2.gz MIPGWNDVVNOKDP-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000729605798 578584430 /nfs/dbraw/zinc/58/44/30/578584430.db2.gz MIPGWNDVVNOKDP-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCO1 ZINC000729607051 578584632 /nfs/dbraw/zinc/58/46/32/578584632.db2.gz VWJAESJGYISFTB-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCO1 ZINC000729607051 578584633 /nfs/dbraw/zinc/58/46/33/578584633.db2.gz VWJAESJGYISFTB-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP C[N@H+](CC1CC[NH+](C)CC1)Cn1nnn(C2CCOCC2)c1=S ZINC000729982708 578605689 /nfs/dbraw/zinc/60/56/89/578605689.db2.gz GOHNGOJIYUPEIP-UHFFFAOYSA-N 2 2 340.497 1.392 20 0 EDADLP C[N@@H+](CC1CC[NH+](C)CC1)Cn1nnn(C2CCOCC2)c1=S ZINC000729982708 578605690 /nfs/dbraw/zinc/60/56/90/578605690.db2.gz GOHNGOJIYUPEIP-UHFFFAOYSA-N 2 2 340.497 1.392 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734263917 578805412 /nfs/dbraw/zinc/80/54/12/578805412.db2.gz HUYMVOFGESPFBN-GOEBONIOSA-N 2 2 335.452 1.214 20 0 EDADLP O=C1C[C@H](c2ccccn2)CN1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738159067 579166331 /nfs/dbraw/zinc/16/63/31/579166331.db2.gz QSRBVMJMDCVDHV-HOTGVXAUSA-N 2 2 325.416 1.889 20 0 EDADLP O=C1C[C@H](c2ccccn2)CN1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738159067 579166333 /nfs/dbraw/zinc/16/63/33/579166333.db2.gz QSRBVMJMDCVDHV-HOTGVXAUSA-N 2 2 325.416 1.889 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cn3nccc3-c3cccnc3)CC2)C1 ZINC000738213031 579173224 /nfs/dbraw/zinc/17/32/24/579173224.db2.gz JGPVWDYWCCQSBG-SFHVURJKSA-N 2 2 340.475 1.614 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cn3nccc3-c3cccnc3)CC2)C1 ZINC000738213031 579173225 /nfs/dbraw/zinc/17/32/25/579173225.db2.gz JGPVWDYWCCQSBG-SFHVURJKSA-N 2 2 340.475 1.614 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000745484364 579551424 /nfs/dbraw/zinc/55/14/24/579551424.db2.gz XGDGRWZJOQQFTJ-DZGCQCFKSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000745484364 579551425 /nfs/dbraw/zinc/55/14/25/579551425.db2.gz XGDGRWZJOQQFTJ-DZGCQCFKSA-N 2 2 328.420 1.549 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000745791877 579562789 /nfs/dbraw/zinc/56/27/89/579562789.db2.gz NGNXLBGTRWGSAB-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000745791877 579562790 /nfs/dbraw/zinc/56/27/90/579562790.db2.gz NGNXLBGTRWGSAB-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1CC[N@H+](CN2CCC3(CCOCC3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000777537121 580443893 /nfs/dbraw/zinc/44/38/93/580443893.db2.gz SXDFYOXVLCBXIU-HOTGVXAUSA-N 2 2 332.448 1.753 20 0 EDADLP C[C@H]1CC[N@@H+](CN2CCC3(CCOCC3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000777537121 580443894 /nfs/dbraw/zinc/44/38/94/580443894.db2.gz SXDFYOXVLCBXIU-HOTGVXAUSA-N 2 2 332.448 1.753 20 0 EDADLP CN(C)C(=O)N1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C(C)(C)C1 ZINC000777738999 580449172 /nfs/dbraw/zinc/44/91/72/580449172.db2.gz JNRUPNXBYAADEQ-UHFFFAOYSA-N 2 2 342.447 1.845 20 0 EDADLP CN(C)C(=O)N1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C(C)(C)C1 ZINC000777738999 580449173 /nfs/dbraw/zinc/44/91/73/580449173.db2.gz JNRUPNXBYAADEQ-UHFFFAOYSA-N 2 2 342.447 1.845 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(N(C)C)[nH+]1 ZINC000750215215 579755989 /nfs/dbraw/zinc/75/59/89/579755989.db2.gz NAHBUGZPELMETL-ZFWWWQNUSA-N 2 2 345.447 1.138 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(N(C)C)[nH+]1 ZINC000750215215 579755990 /nfs/dbraw/zinc/75/59/90/579755990.db2.gz NAHBUGZPELMETL-ZFWWWQNUSA-N 2 2 345.447 1.138 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000752110362 579838666 /nfs/dbraw/zinc/83/86/66/579838666.db2.gz CZGRDCXAMHPBOE-KRWDZBQOSA-N 2 2 338.452 1.831 20 0 EDADLP COc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000752413139 579849451 /nfs/dbraw/zinc/84/94/51/579849451.db2.gz GGRFLQCJOQNMMW-HNNXBMFYSA-N 2 2 332.448 1.331 20 0 EDADLP COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000752413139 579849452 /nfs/dbraw/zinc/84/94/52/579849452.db2.gz GGRFLQCJOQNMMW-HNNXBMFYSA-N 2 2 332.448 1.331 20 0 EDADLP CN(C(=O)c1ncccn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755216053 579923001 /nfs/dbraw/zinc/92/30/01/579923001.db2.gz ZLJCFSFJNORMEG-IRXDYDNUSA-N 2 2 345.491 1.886 20 0 EDADLP CN(C(=O)c1ncccn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755216053 579923002 /nfs/dbraw/zinc/92/30/02/579923002.db2.gz ZLJCFSFJNORMEG-IRXDYDNUSA-N 2 2 345.491 1.886 20 0 EDADLP NC(Cc1cccs1)=[NH+]OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000762739604 580081874 /nfs/dbraw/zinc/08/18/74/580081874.db2.gz FRCJKFYDTTYXBS-UHFFFAOYSA-N 2 2 336.461 1.532 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc2[nH+]ccn21 ZINC000764833066 580129492 /nfs/dbraw/zinc/12/94/92/580129492.db2.gz LODPZCNTPCINSB-WBVHZDCISA-N 2 2 342.443 1.832 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000770028984 580251442 /nfs/dbraw/zinc/25/14/42/580251442.db2.gz WXQANYMYZHDDSF-INIZCTEOSA-N 2 2 337.431 1.835 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nnnn2Cc2ccccc2)C1 ZINC000770028984 580251443 /nfs/dbraw/zinc/25/14/43/580251443.db2.gz WXQANYMYZHDDSF-INIZCTEOSA-N 2 2 337.431 1.835 20 0 EDADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000776159700 580409975 /nfs/dbraw/zinc/40/99/75/580409975.db2.gz ZMLXVNAEFHHTEC-JKSUJKDBSA-N 2 2 325.497 1.722 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C\c3cncc(O)c3)C2)CC1 ZINC000779665052 580494035 /nfs/dbraw/zinc/49/40/35/580494035.db2.gz QCODHRIYSGVFPI-GWQWAINWSA-N 2 2 330.432 1.085 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C\c3cncc(O)c3)C2)CC1 ZINC000779665052 580494036 /nfs/dbraw/zinc/49/40/36/580494036.db2.gz QCODHRIYSGVFPI-GWQWAINWSA-N 2 2 330.432 1.085 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000782283117 580570811 /nfs/dbraw/zinc/57/08/11/580570811.db2.gz QOCKUEHWBOQVHG-GOEBONIOSA-N 2 2 328.453 1.044 20 0 EDADLP COC(=O)C[C@@H]1CCCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783978669 580609851 /nfs/dbraw/zinc/60/98/51/580609851.db2.gz YMZPEZNJQWBZSJ-KGLIPLIRSA-N 2 2 334.420 1.111 20 0 EDADLP COC(=O)C[C@@H]1CCCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783978669 580609852 /nfs/dbraw/zinc/60/98/52/580609852.db2.gz YMZPEZNJQWBZSJ-KGLIPLIRSA-N 2 2 334.420 1.111 20 0 EDADLP CCOC(=O)CC[N@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C1CC1 ZINC000783977614 580609875 /nfs/dbraw/zinc/60/98/75/580609875.db2.gz SJRDRSKSKAUTDX-ZDUSSCGKSA-N 2 2 334.420 1.111 20 0 EDADLP CCOC(=O)CC[N@@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C1CC1 ZINC000783977614 580609876 /nfs/dbraw/zinc/60/98/76/580609876.db2.gz SJRDRSKSKAUTDX-ZDUSSCGKSA-N 2 2 334.420 1.111 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[NH+](C3CCCCC3)CC2)C1 ZINC000783995389 580611163 /nfs/dbraw/zinc/61/11/63/580611163.db2.gz NMQZPLQLNOGEEI-MRXNPFEDSA-N 2 2 345.491 1.644 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC([C@@H]3CCOC3)CC2)C1 ZINC000784008462 580611678 /nfs/dbraw/zinc/61/16/78/580611678.db2.gz SNOOQCBCBZJPNJ-HZPDHXFCSA-N 2 2 332.448 1.442 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C[C@H]1C ZINC000784968432 580633122 /nfs/dbraw/zinc/63/31/22/580633122.db2.gz ZWYZRMYZYXSHFH-ZIAGYGMSSA-N 2 2 347.463 1.336 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)C[C@H]1C ZINC000784968432 580633123 /nfs/dbraw/zinc/63/31/23/580633123.db2.gz ZWYZRMYZYXSHFH-ZIAGYGMSSA-N 2 2 347.463 1.336 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786829427 580680563 /nfs/dbraw/zinc/68/05/63/580680563.db2.gz RAXLSKNCMVWIQY-MAUKXSAKSA-N 2 2 346.475 1.978 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786829427 580680564 /nfs/dbraw/zinc/68/05/64/580680564.db2.gz RAXLSKNCMVWIQY-MAUKXSAKSA-N 2 2 346.475 1.978 20 0 EDADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000793523856 580847000 /nfs/dbraw/zinc/84/70/00/580847000.db2.gz FKXPFCBWUHUWNJ-QGZVFWFLSA-N 3 2 342.491 1.986 20 0 EDADLP C[NH+](C/C=C\C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795667334 580933489 /nfs/dbraw/zinc/93/34/89/580933489.db2.gz RVQBRRYIXPZNMG-JUBSNLHESA-N 2 2 338.448 1.594 20 0 EDADLP C[NH+](C/C=C\C[N@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795667334 580933490 /nfs/dbraw/zinc/93/34/90/580933490.db2.gz RVQBRRYIXPZNMG-JUBSNLHESA-N 2 2 338.448 1.594 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](CO)[C@H]3CCOC3)CC2)cc1 ZINC000795830819 580938638 /nfs/dbraw/zinc/93/86/38/580938638.db2.gz AEPYQLWUHWYPOM-DLBZAZTESA-N 2 2 347.503 1.956 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000799311130 581025084 /nfs/dbraw/zinc/02/50/84/581025084.db2.gz NMZCVXTYRUCNPN-JLSDUUJJSA-N 2 2 336.455 1.212 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000799311130 581025085 /nfs/dbraw/zinc/02/50/85/581025085.db2.gz NMZCVXTYRUCNPN-JLSDUUJJSA-N 2 2 336.455 1.212 20 0 EDADLP CC(C)C1(C(C)C)NC(=O)N(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000799571220 581031646 /nfs/dbraw/zinc/03/16/46/581031646.db2.gz XMXPEXURMPSCQM-AWEZNQCLSA-N 2 2 347.463 1.770 20 0 EDADLP CC(C)C1(C(C)C)NC(=O)N(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000799571220 581031647 /nfs/dbraw/zinc/03/16/47/581031647.db2.gz XMXPEXURMPSCQM-AWEZNQCLSA-N 2 2 347.463 1.770 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000893072257 590648292 /nfs/dbraw/zinc/64/82/92/590648292.db2.gz ZVLMHHUMZSCOCD-LSDHHAIUSA-N 2 2 341.496 1.990 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000891846630 590651849 /nfs/dbraw/zinc/65/18/49/590651849.db2.gz OTAMHAFDPVPRHI-OAHLLOKOSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000891846630 590651852 /nfs/dbraw/zinc/65/18/52/590651852.db2.gz OTAMHAFDPVPRHI-OAHLLOKOSA-N 2 2 347.463 1.202 20 0 EDADLP C[N@H+]1C[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC000891990614 590731207 /nfs/dbraw/zinc/73/12/07/590731207.db2.gz XLBIWRJDQWSBHC-KDOFPFPSSA-N 2 2 331.464 1.355 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cn(C)c[nH+]2)cn1 ZINC000892197834 590859067 /nfs/dbraw/zinc/85/90/67/590859067.db2.gz YLEOJPOWUXQURF-UHFFFAOYSA-N 2 2 325.376 1.309 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccsc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000892320846 590942813 /nfs/dbraw/zinc/94/28/13/590942813.db2.gz XPDPCLOIPDBCFK-JTQLQIEISA-N 2 2 336.383 1.551 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccsc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000892320846 590942816 /nfs/dbraw/zinc/94/28/16/590942816.db2.gz XPDPCLOIPDBCFK-JTQLQIEISA-N 2 2 336.383 1.551 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892483628 591043719 /nfs/dbraw/zinc/04/37/19/591043719.db2.gz SAHHFQCICYXRLN-OAGGEKHMSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892493201 591048537 /nfs/dbraw/zinc/04/85/37/591048537.db2.gz DBKOGDQTHXAGOG-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892497530 591049709 /nfs/dbraw/zinc/04/97/09/591049709.db2.gz RZJDVYANMLDMOI-OAHLLOKOSA-N 2 2 348.495 1.026 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[NH2+]CCC12CCC2 ZINC000891344000 591051484 /nfs/dbraw/zinc/05/14/84/591051484.db2.gz BWSHDYRXXOPMII-UHFFFAOYSA-N 2 2 340.431 1.695 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000891358368 591058785 /nfs/dbraw/zinc/05/87/85/591058785.db2.gz NSCGUZBPEPJTCC-DJIMGWMZSA-N 2 2 332.448 1.191 20 0 EDADLP Cn1nccc1C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892551610 591068968 /nfs/dbraw/zinc/06/89/68/591068968.db2.gz JAKVXWNMEUITNY-UHFFFAOYSA-N 2 2 337.468 1.499 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccnc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC000892563412 591073858 /nfs/dbraw/zinc/07/38/58/591073858.db2.gz RMFKQQPCLIEUFJ-CABCVRRESA-N 2 2 326.404 1.113 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccnc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC000892563412 591073861 /nfs/dbraw/zinc/07/38/61/591073861.db2.gz RMFKQQPCLIEUFJ-CABCVRRESA-N 2 2 326.404 1.113 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892577755 591078514 /nfs/dbraw/zinc/07/85/14/591078514.db2.gz LSOGWEIZLZKNBX-QAQDUYKDSA-N 2 2 340.512 1.648 20 0 EDADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cccc[nH+]2)CC1 ZINC000892606503 591092074 /nfs/dbraw/zinc/09/20/74/591092074.db2.gz HLJFPROGDNWRAU-MUJYYYPQSA-N 2 2 329.448 1.444 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000892610180 591094014 /nfs/dbraw/zinc/09/40/14/591094014.db2.gz ANQWVPMOHMHCNE-IEBWSBKVSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000892610180 591094016 /nfs/dbraw/zinc/09/40/16/591094016.db2.gz ANQWVPMOHMHCNE-IEBWSBKVSA-N 2 2 346.475 1.247 20 0 EDADLP C[C@H](NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000891517336 591103196 /nfs/dbraw/zinc/10/31/96/591103196.db2.gz KSPFBGMJKNLQBW-BQFCYCMXSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000891653608 591170275 /nfs/dbraw/zinc/17/02/75/591170275.db2.gz FZECGHAZIAQUMM-GDBMZVCRSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1noc2ncc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc12 ZINC000894014557 591171089 /nfs/dbraw/zinc/17/10/89/591171089.db2.gz MQLXBJWVUFWJLV-MRXNPFEDSA-N 2 2 329.448 1.743 20 0 EDADLP Cc1noc2ncc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc12 ZINC000894014557 591171092 /nfs/dbraw/zinc/17/10/92/591171092.db2.gz MQLXBJWVUFWJLV-MRXNPFEDSA-N 2 2 329.448 1.743 20 0 EDADLP Cc1ccncc1CCC[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895686923 591249365 /nfs/dbraw/zinc/24/93/65/591249365.db2.gz WFRBVHZWVRWTKB-HXUWFJFHSA-N 2 2 346.519 1.709 20 0 EDADLP c1ccc2c(c1)ccnc2C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000894255920 591250108 /nfs/dbraw/zinc/25/01/08/591250108.db2.gz LRQSTLGSVPZVJD-SFHVURJKSA-N 2 2 340.471 1.731 20 0 EDADLP CN(Cc1c2c(nn1C)CCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000894460096 591318704 /nfs/dbraw/zinc/31/87/04/591318704.db2.gz SIVPTYRIWXVIQF-MRXNPFEDSA-N 2 2 331.508 1.509 20 0 EDADLP CN(Cc1c2c(nn1C)CCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000894460096 591318706 /nfs/dbraw/zinc/31/87/06/591318706.db2.gz SIVPTYRIWXVIQF-MRXNPFEDSA-N 2 2 331.508 1.509 20 0 EDADLP Cn1nc2c(c1C[N@H+](C)[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000894460096 591318709 /nfs/dbraw/zinc/31/87/09/591318709.db2.gz SIVPTYRIWXVIQF-MRXNPFEDSA-N 2 2 331.508 1.509 20 0 EDADLP Cn1nc2c(c1C[N@@H+](C)[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CCC2 ZINC000894460096 591318712 /nfs/dbraw/zinc/31/87/12/591318712.db2.gz SIVPTYRIWXVIQF-MRXNPFEDSA-N 2 2 331.508 1.509 20 0 EDADLP CCCSC[C@@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000896031812 591325374 /nfs/dbraw/zinc/32/53/74/591325374.db2.gz XJJRYYCOQSPCQW-SJORKVTESA-N 2 2 329.554 1.904 20 0 EDADLP CCOc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC000896031657 591325484 /nfs/dbraw/zinc/32/54/84/591325484.db2.gz WTAOABYEIIARPX-MRXNPFEDSA-N 2 2 337.464 1.565 20 0 EDADLP CCn1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000896029399 591326964 /nfs/dbraw/zinc/32/69/64/591326964.db2.gz AZIFODPYVJKBAI-SFHVURJKSA-N 2 2 335.496 1.098 20 0 EDADLP Oc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000896029718 591327078 /nfs/dbraw/zinc/32/70/78/591327078.db2.gz CVHVXWDGFFUBCF-MRXNPFEDSA-N 2 2 337.439 1.418 20 0 EDADLP COC[C@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894619378 591368662 /nfs/dbraw/zinc/36/86/62/591368662.db2.gz OOFHIISNTOZXGT-LBPRGKRZSA-N 2 2 332.347 1.167 20 0 EDADLP CC(C)(C)c1nc(N2CCC(C)([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000894759073 591405946 /nfs/dbraw/zinc/40/59/46/591405946.db2.gz VSEXKXGPFDPPEG-UHFFFAOYSA-N 2 2 334.468 1.442 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000897432090 591411273 /nfs/dbraw/zinc/41/12/73/591411273.db2.gz FQRYWNGRAGQLOI-LBPRGKRZSA-N 2 2 347.385 1.929 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000897432090 591411279 /nfs/dbraw/zinc/41/12/79/591411279.db2.gz FQRYWNGRAGQLOI-LBPRGKRZSA-N 2 2 347.385 1.929 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccnc3C(F)F)C2)CC1 ZINC000896324408 591419400 /nfs/dbraw/zinc/41/94/00/591419400.db2.gz CUMHKAAOQKLNBP-GFCCVEGCSA-N 2 2 338.402 1.918 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccnc3C(F)F)C2)CC1 ZINC000896324408 591419403 /nfs/dbraw/zinc/41/94/03/591419403.db2.gz CUMHKAAOQKLNBP-GFCCVEGCSA-N 2 2 338.402 1.918 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898627871 591441726 /nfs/dbraw/zinc/44/17/26/591441726.db2.gz SNXSNYHUTHCTIV-UHFFFAOYSA-N 2 2 342.443 1.636 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)s1 ZINC000896395148 591448891 /nfs/dbraw/zinc/44/88/91/591448891.db2.gz REFYKVOQUJPGNV-LRDDRELGSA-N 2 2 338.477 1.915 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)s1 ZINC000896395148 591448894 /nfs/dbraw/zinc/44/88/94/591448894.db2.gz REFYKVOQUJPGNV-LRDDRELGSA-N 2 2 338.477 1.915 20 0 EDADLP Brc1cnc2n1C[C@H]([NH2+]Cc1c[nH+]c3n1CCC3)CC2 ZINC000898719978 591483740 /nfs/dbraw/zinc/48/37/40/591483740.db2.gz JOINKPIYOBQWMC-SNVBAGLBSA-N 2 2 336.237 1.893 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+]1CCCC[C@H]1C ZINC000454252426 591484776 /nfs/dbraw/zinc/48/47/76/591484776.db2.gz DHFIFDLDKVXVQM-VQHPVUNQSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+]2CCO[C@H]1C2)[NH+]1CCCC[C@H]1C ZINC000454252426 591484779 /nfs/dbraw/zinc/48/47/79/591484779.db2.gz DHFIFDLDKVXVQM-VQHPVUNQSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2)[N@@H+]1CCCC[C@H]1C ZINC000454252426 591484781 /nfs/dbraw/zinc/48/47/81/591484781.db2.gz DHFIFDLDKVXVQM-VQHPVUNQSA-N 2 2 338.496 1.364 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897566315 591559195 /nfs/dbraw/zinc/55/91/95/591559195.db2.gz LMURZBVVMQKOHQ-INIZCTEOSA-N 2 2 334.464 1.405 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000898883542 591577811 /nfs/dbraw/zinc/57/78/11/591577811.db2.gz KVNXNWKKCCWVJF-JKSUJKDBSA-N 2 2 328.416 1.234 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000898883542 591577812 /nfs/dbraw/zinc/57/78/12/591577812.db2.gz KVNXNWKKCCWVJF-JKSUJKDBSA-N 2 2 328.416 1.234 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)C1(F)F ZINC000896724163 591588879 /nfs/dbraw/zinc/58/88/79/591588879.db2.gz VGJOBTUOXWBVAZ-RDBSUJKOSA-N 2 2 327.375 1.718 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000898968487 591621663 /nfs/dbraw/zinc/62/16/63/591621663.db2.gz CSRBWJULBWTWPE-HNNXBMFYSA-N 2 2 325.416 1.798 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+]CC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898033739 591763845 /nfs/dbraw/zinc/76/38/45/591763845.db2.gz AURYYPIIUNLDHP-UHFFFAOYSA-N 2 2 331.526 1.558 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+]CC[N@H+]2CCC(C)(C)C2)CC1 ZINC000898033739 591763847 /nfs/dbraw/zinc/76/38/47/591763847.db2.gz AURYYPIIUNLDHP-UHFFFAOYSA-N 2 2 331.526 1.558 20 0 EDADLP C[NH+](C)Cc1csc(CNc2cc[nH+]c(N3CCOCC3)n2)n1 ZINC000895484634 591778470 /nfs/dbraw/zinc/77/84/70/591778470.db2.gz RIVCSSCOTJNJNP-UHFFFAOYSA-N 2 2 334.449 1.443 20 0 EDADLP Cc1ccc(O)c(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1 ZINC000895553580 591799599 /nfs/dbraw/zinc/79/95/99/591799599.db2.gz GZUOKQUZIBUMGZ-UHFFFAOYSA-N 2 2 332.448 1.401 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000895550400 591803382 /nfs/dbraw/zinc/80/33/82/591803382.db2.gz IAOCINGIQAHGTE-UHFFFAOYSA-N 2 2 341.459 1.640 20 0 EDADLP c1nc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc(N2CCOCC2)[nH+]1 ZINC000895571643 591804417 /nfs/dbraw/zinc/80/44/17/591804417.db2.gz KMNXCMPJNJWGKK-UONOGXRCSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc(N2CCOCC2)[nH+]1 ZINC000895571643 591804419 /nfs/dbraw/zinc/80/44/19/591804419.db2.gz KMNXCMPJNJWGKK-UONOGXRCSA-N 2 2 335.477 1.305 20 0 EDADLP CCC1([NH+]2CCC2)CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000899558738 591849650 /nfs/dbraw/zinc/84/96/50/591849650.db2.gz XFJJSQDTRUALGJ-UHFFFAOYSA-N 2 2 335.492 1.718 20 0 EDADLP C/C(=C/C(=O)N1CC[NH+](Cc2ccsc2)CC1)C[NH+]1CCOCC1 ZINC000900020570 591870178 /nfs/dbraw/zinc/87/01/78/591870178.db2.gz SITPWGFSFVPVHW-VBKFSLOCSA-N 2 2 349.500 1.671 20 0 EDADLP C/C(=C\C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000900020648 591870561 /nfs/dbraw/zinc/87/05/61/591870561.db2.gz FIMUMDWPAVMUCB-UMEYKSNOSA-N 2 2 343.471 1.656 20 0 EDADLP C/C(=C\C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000900020648 591870563 /nfs/dbraw/zinc/87/05/63/591870563.db2.gz FIMUMDWPAVMUCB-UMEYKSNOSA-N 2 2 343.471 1.656 20 0 EDADLP CCn1cnc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000902036242 591899765 /nfs/dbraw/zinc/89/97/65/591899765.db2.gz HAEPCJNWCMLLKA-UHFFFAOYSA-N 2 2 327.476 1.810 20 0 EDADLP COC(=O)[C@@H]1CCC[C@@H](n2cc(C[NH2+]C3CC[NH+](C)CC3)nn2)C1 ZINC000899730375 591924293 /nfs/dbraw/zinc/92/42/93/591924293.db2.gz HVSWHLXUZLRSGT-CZUORRHYSA-N 2 2 335.452 1.366 20 0 EDADLP O=C1C[C@H]([C@@H]2CCCO2)CN1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000902197381 591943422 /nfs/dbraw/zinc/94/34/22/591943422.db2.gz WSDBNPZDKILUDG-DKKFBQAASA-N 2 2 347.503 1.920 20 0 EDADLP O=C1C[C@H]([C@@H]2CCCO2)CN1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000902197381 591943425 /nfs/dbraw/zinc/94/34/25/591943425.db2.gz WSDBNPZDKILUDG-DKKFBQAASA-N 2 2 347.503 1.920 20 0 EDADLP O=C1C[C@H]([C@@H]2CCCO2)CN1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000902197381 591943431 /nfs/dbraw/zinc/94/34/31/591943431.db2.gz WSDBNPZDKILUDG-DKKFBQAASA-N 2 2 347.503 1.920 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000900216575 591946852 /nfs/dbraw/zinc/94/68/52/591946852.db2.gz WOYLFMPKPJVTOT-OAGGEKHMSA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000900216575 591946856 /nfs/dbraw/zinc/94/68/56/591946856.db2.gz WOYLFMPKPJVTOT-OAGGEKHMSA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000900216575 591946859 /nfs/dbraw/zinc/94/68/59/591946859.db2.gz WOYLFMPKPJVTOT-OAGGEKHMSA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000900216575 591946862 /nfs/dbraw/zinc/94/68/62/591946862.db2.gz WOYLFMPKPJVTOT-OAGGEKHMSA-N 2 2 337.464 1.005 20 0 EDADLP CCn1ncc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000902323236 591978854 /nfs/dbraw/zinc/97/88/54/591978854.db2.gz ASHFPUTUZKLERC-MRXNPFEDSA-N 2 2 344.419 1.197 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900371868 591999716 /nfs/dbraw/zinc/99/97/16/591999716.db2.gz JZLRMMHODWFQGZ-QGZVFWFLSA-N 2 2 339.443 1.962 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)c1 ZINC000902484372 592005399 /nfs/dbraw/zinc/00/53/99/592005399.db2.gz VXSQMXHMNMCOQF-ZFWWWQNUSA-N 2 2 325.478 1.778 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000902522491 592010077 /nfs/dbraw/zinc/01/00/77/592010077.db2.gz XULUQQVJAANQHY-TUAOUCFPSA-N 2 2 325.844 1.535 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000900540785 592051769 /nfs/dbraw/zinc/05/17/69/592051769.db2.gz MKHLCZHHFDQZDE-HUUCEWRRSA-N 2 2 348.447 1.391 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000900540785 592051771 /nfs/dbraw/zinc/05/17/71/592051771.db2.gz MKHLCZHHFDQZDE-HUUCEWRRSA-N 2 2 348.447 1.391 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H]3CCC4(CCCC4)O3)nn2)CC1 ZINC000900572102 592055788 /nfs/dbraw/zinc/05/57/88/592055788.db2.gz YLGXNDQLFWIROR-QGZVFWFLSA-N 2 2 333.480 1.954 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@](C)(O)c3ccccc3)nn2)CC1 ZINC000900582479 592058873 /nfs/dbraw/zinc/05/88/73/592058873.db2.gz NOOHKKYDBDCJCM-GOSISDBHSA-N 2 2 329.448 1.370 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@](C)(O)c3ccccc3)nn2)CC1 ZINC000900582486 592058962 /nfs/dbraw/zinc/05/89/62/592058962.db2.gz NOOHKKYDBDCJCM-SFHVURJKSA-N 2 2 329.448 1.370 20 0 EDADLP C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883306 592156478 /nfs/dbraw/zinc/15/64/78/592156478.db2.gz QQTHFDVUTAJSJK-HNAYVOBHSA-N 2 2 342.443 1.896 20 0 EDADLP C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883306 592156481 /nfs/dbraw/zinc/15/64/81/592156481.db2.gz QQTHFDVUTAJSJK-HNAYVOBHSA-N 2 2 342.443 1.896 20 0 EDADLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CCS(=O)(=O)CC1 ZINC000903381830 592163924 /nfs/dbraw/zinc/16/39/24/592163924.db2.gz ZGLOCNLOHHFXBP-RHSMWYFYSA-N 2 2 339.505 1.877 20 0 EDADLP CON1CCC([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)CC1 ZINC000903478329 592176041 /nfs/dbraw/zinc/17/60/41/592176041.db2.gz FUHRZFRPYUWMPI-LLVKDONJSA-N 2 2 329.242 1.576 20 0 EDADLP [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000904336179 592233419 /nfs/dbraw/zinc/23/34/19/592233419.db2.gz DWDXGNYCBDKTTP-HDJSIYSDSA-N 2 2 329.404 1.821 20 0 EDADLP Cc1ccc(NC2CC[NH+](CC[NH3+])CC2)cc1NS(C)(=O)=O ZINC000904359372 592237665 /nfs/dbraw/zinc/23/76/65/592237665.db2.gz LGELLNSRGDUKNY-UHFFFAOYSA-N 2 2 326.466 1.202 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906676260 592257094 /nfs/dbraw/zinc/25/70/94/592257094.db2.gz LDKABLXWEVMXQZ-MRXNPFEDSA-N 2 2 336.480 1.280 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3nc4ccc(Cl)cc4n3C)C[C@H]2[NH3+])c1 ZINC000904493326 592266936 /nfs/dbraw/zinc/26/69/36/592266936.db2.gz ADIXPVGVWMPKSX-CHWSQXEVSA-N 2 2 344.850 1.887 20 0 EDADLP Cc1nn(-c2ccccc2)cc1CN1C[C@@H](c2cn(C)c[nH+]2)[C@H]([NH3+])C1 ZINC000904496360 592271993 /nfs/dbraw/zinc/27/19/93/592271993.db2.gz YEHGOWGVTPZGMP-QZTJIDSGSA-N 2 2 336.443 1.841 20 0 EDADLP CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000904582122 592287122 /nfs/dbraw/zinc/28/71/22/592287122.db2.gz JTKHWMNJQJKZGX-MRXNPFEDSA-N 2 2 332.448 1.819 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000908085679 592293722 /nfs/dbraw/zinc/29/37/22/592293722.db2.gz XNKUAWJLYMWLPU-UHFFFAOYSA-N 2 2 333.480 1.252 20 0 EDADLP COc1cc(NC(=O)C[N@H+](C)C[C@H]2CCCC[NH2+]C2)cc(OC)c1 ZINC000903734420 592298145 /nfs/dbraw/zinc/29/81/45/592298145.db2.gz QLBOFPQWZLUOPB-AWEZNQCLSA-N 2 2 335.448 1.964 20 0 EDADLP COc1cc(NC(=O)C[N@@H+](C)C[C@H]2CCCC[NH2+]C2)cc(OC)c1 ZINC000903734420 592298148 /nfs/dbraw/zinc/29/81/48/592298148.db2.gz QLBOFPQWZLUOPB-AWEZNQCLSA-N 2 2 335.448 1.964 20 0 EDADLP CC1CCC(N(C)C(=O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)CC1 ZINC000903814601 592323951 /nfs/dbraw/zinc/32/39/51/592323951.db2.gz FLHGHAPSGYWHDL-UHFFFAOYSA-N 2 2 337.508 1.868 20 0 EDADLP CC1CCC(N(C)C(=O)C[N@H+]2CC[NH2+]CCC23CCOCC3)CC1 ZINC000903814601 592323955 /nfs/dbraw/zinc/32/39/55/592323955.db2.gz FLHGHAPSGYWHDL-UHFFFAOYSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813386 592330937 /nfs/dbraw/zinc/33/09/37/592330937.db2.gz FCBHLBIMAJCJRP-INIZCTEOSA-N 2 2 343.471 1.809 20 0 EDADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813386 592330939 /nfs/dbraw/zinc/33/09/39/592330939.db2.gz FCBHLBIMAJCJRP-INIZCTEOSA-N 2 2 343.471 1.809 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ncon3)C2)C1 ZINC000908119215 592332216 /nfs/dbraw/zinc/33/22/16/592332216.db2.gz QAJRZOSMPAIQRI-CVEARBPZSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ncon3)C2)C1 ZINC000908119215 592332222 /nfs/dbraw/zinc/33/22/22/592332222.db2.gz QAJRZOSMPAIQRI-CVEARBPZSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)C1 ZINC000908119215 592332226 /nfs/dbraw/zinc/33/22/26/592332226.db2.gz QAJRZOSMPAIQRI-CVEARBPZSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)C1 ZINC000908119215 592332232 /nfs/dbraw/zinc/33/22/32/592332232.db2.gz QAJRZOSMPAIQRI-CVEARBPZSA-N 2 2 349.479 1.520 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3CC[NH2+]CCC34CCOCC4)cc(=O)n2c1 ZINC000903814503 592332338 /nfs/dbraw/zinc/33/23/38/592332338.db2.gz FBLGQSPMUVHCBY-UHFFFAOYSA-N 2 2 342.443 1.347 20 0 EDADLP Cc1ccc2nc(C[N@H+]3CC[NH2+]CCC34CCOCC4)cc(=O)n2c1 ZINC000903814503 592332344 /nfs/dbraw/zinc/33/23/44/592332344.db2.gz FBLGQSPMUVHCBY-UHFFFAOYSA-N 2 2 342.443 1.347 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000903824629 592333868 /nfs/dbraw/zinc/33/38/68/592333868.db2.gz SDDGVSGPKRCNDA-CRAIPNDOSA-N 2 2 330.432 1.545 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000903824629 592333874 /nfs/dbraw/zinc/33/38/74/592333874.db2.gz SDDGVSGPKRCNDA-CRAIPNDOSA-N 2 2 330.432 1.545 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cnn1C ZINC000903898744 592368461 /nfs/dbraw/zinc/36/84/61/592368461.db2.gz OKKGYCGJVPAKGF-QGPMSJSTSA-N 3 2 330.480 1.626 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cnn1C ZINC000903898744 592368466 /nfs/dbraw/zinc/36/84/66/592368466.db2.gz OKKGYCGJVPAKGF-QGPMSJSTSA-N 3 2 330.480 1.626 20 0 EDADLP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000905139296 592432942 /nfs/dbraw/zinc/43/29/42/592432942.db2.gz SYFNWCFTHDFLRD-MAPUTHEBSA-N 2 2 349.479 1.051 20 0 EDADLP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000905139296 592432945 /nfs/dbraw/zinc/43/29/45/592432945.db2.gz SYFNWCFTHDFLRD-MAPUTHEBSA-N 2 2 349.479 1.051 20 0 EDADLP C[C@]1(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CCC[N@@H+]1Cc1ccccc1 ZINC000905218457 592471743 /nfs/dbraw/zinc/47/17/43/592471743.db2.gz NGOMLFUKPUPEOF-ZCNNSNEGSA-N 2 2 348.487 1.533 20 0 EDADLP C[C@]1(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000905218457 592471745 /nfs/dbraw/zinc/47/17/45/592471745.db2.gz NGOMLFUKPUPEOF-ZCNNSNEGSA-N 2 2 348.487 1.533 20 0 EDADLP COc1c(C)c[nH+]c(CNS(=O)(=O)CC2CC[NH2+]CC2)c1C ZINC000905333980 592509042 /nfs/dbraw/zinc/50/90/42/592509042.db2.gz ATABKUYAMHXBHE-UHFFFAOYSA-N 2 2 327.450 1.126 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905368645 592517812 /nfs/dbraw/zinc/51/78/12/592517812.db2.gz UTSPEHGWZNLKGB-SJORKVTESA-N 2 2 347.459 1.344 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905368645 592517813 /nfs/dbraw/zinc/51/78/13/592517813.db2.gz UTSPEHGWZNLKGB-SJORKVTESA-N 2 2 347.459 1.344 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)n1 ZINC000905534322 592554528 /nfs/dbraw/zinc/55/45/28/592554528.db2.gz XSTUCHZVHJABCY-HZPDHXFCSA-N 2 2 335.473 1.779 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@@H]3CNC(=O)C3)c2cc1C ZINC000905585640 592582391 /nfs/dbraw/zinc/58/23/91/592582391.db2.gz LEWKNQITXHPGIO-GJZGRUSLSA-N 2 2 330.432 1.130 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905620212 592588327 /nfs/dbraw/zinc/58/83/27/592588327.db2.gz CZXNBTWGHWGOLQ-MOPGFXCFSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905620212 592588328 /nfs/dbraw/zinc/58/83/28/592588328.db2.gz CZXNBTWGHWGOLQ-MOPGFXCFSA-N 2 2 348.487 1.886 20 0 EDADLP CC(C)c1nc(N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000905721094 592622069 /nfs/dbraw/zinc/62/20/69/592622069.db2.gz GQNCECPYQFUZLG-UWVGGRQHSA-N 2 2 332.374 1.777 20 0 EDADLP [NH3+][C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[C@@H]1C(F)(F)F ZINC000905721170 592624740 /nfs/dbraw/zinc/62/47/40/592624740.db2.gz YZLHRDILDRGRQP-WDEREUQCSA-N 2 2 331.342 1.029 20 0 EDADLP CCCCNc1cc(N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)nc(N)[nH+]1 ZINC000905724332 592629930 /nfs/dbraw/zinc/62/99/30/592629930.db2.gz SOAHKEYRUJNFQN-ZJUUUORDSA-N 2 2 332.374 1.987 20 0 EDADLP CC[C@H](C)[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC ZINC000905762859 592639654 /nfs/dbraw/zinc/63/96/54/592639654.db2.gz VKIVAZNSDNBGQH-HEHGZKQESA-N 2 2 335.452 1.664 20 0 EDADLP CCN(CCOC)c1cccc(Cn2cc(C[NH2+]C(C)C)nn2)[nH+]1 ZINC000905813274 592652559 /nfs/dbraw/zinc/65/25/59/592652559.db2.gz OQMGDTTWXNJBID-UHFFFAOYSA-N 2 2 332.452 1.692 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000905850578 592665636 /nfs/dbraw/zinc/66/56/36/592665636.db2.gz UIFJHLZUJXVXKY-SFHVURJKSA-N 2 2 330.476 1.848 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000905850578 592665637 /nfs/dbraw/zinc/66/56/37/592665637.db2.gz UIFJHLZUJXVXKY-SFHVURJKSA-N 2 2 330.476 1.848 20 0 EDADLP C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000909021370 592715010 /nfs/dbraw/zinc/71/50/10/592715010.db2.gz SNUKJKCWYLTMFB-GOSISDBHSA-N 2 2 333.476 1.412 20 0 EDADLP C[N@H+](Cc1ccccc1N1CCOCC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000909021370 592715012 /nfs/dbraw/zinc/71/50/12/592715012.db2.gz SNUKJKCWYLTMFB-GOSISDBHSA-N 2 2 333.476 1.412 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccnn1CC[NH+](C)C ZINC000907741009 592767113 /nfs/dbraw/zinc/76/71/13/592767113.db2.gz ZORURWAWVDYMJB-UHFFFAOYSA-N 2 2 346.479 1.756 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000909260911 592788208 /nfs/dbraw/zinc/78/82/08/592788208.db2.gz DSDQUMRJUJBQSR-QGZVFWFLSA-N 2 2 348.491 1.377 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000910280655 592819739 /nfs/dbraw/zinc/81/97/39/592819739.db2.gz DRQXRSVTKMOHHC-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP CC[N@H+]1CCCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000910280655 592819740 /nfs/dbraw/zinc/81/97/40/592819740.db2.gz DRQXRSVTKMOHHC-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)c2coc(C[NH+]3CC[C@H](OC)C3)n2)C1 ZINC000906584625 592858283 /nfs/dbraw/zinc/85/82/83/592858283.db2.gz KYDSTDVTSASKDN-KBPBESRZSA-N 2 2 336.436 1.109 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)c2coc(C[NH+]3CC[C@H](OC)C3)n2)C1 ZINC000906584625 592858284 /nfs/dbraw/zinc/85/82/84/592858284.db2.gz KYDSTDVTSASKDN-KBPBESRZSA-N 2 2 336.436 1.109 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)c2coc(C[N@@H+]3CC[C@H](OC)C3)n2)C1 ZINC000906584625 592858285 /nfs/dbraw/zinc/85/82/85/592858285.db2.gz KYDSTDVTSASKDN-KBPBESRZSA-N 2 2 336.436 1.109 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)c2coc(C[N@H+]3CC[C@H](OC)C3)n2)C1 ZINC000906584625 592858286 /nfs/dbraw/zinc/85/82/86/592858286.db2.gz KYDSTDVTSASKDN-KBPBESRZSA-N 2 2 336.436 1.109 20 0 EDADLP C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000911602579 592957146 /nfs/dbraw/zinc/95/71/46/592957146.db2.gz IEIREKWNUDZYAS-SFHVURJKSA-N 2 2 331.460 1.467 20 0 EDADLP C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000911602579 592957147 /nfs/dbraw/zinc/95/71/47/592957147.db2.gz IEIREKWNUDZYAS-SFHVURJKSA-N 2 2 331.460 1.467 20 0 EDADLP O=C(c1ccc(NCCn2cc[nH+]c2)cc1)N1CC([NH+]2CCCC2)C1 ZINC000912325544 593087132 /nfs/dbraw/zinc/08/71/32/593087132.db2.gz KHHQIIYIIYDHJO-UHFFFAOYSA-N 2 2 339.443 1.915 20 0 EDADLP CNC(=O)Nc1cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000912388064 593091922 /nfs/dbraw/zinc/09/19/22/593091922.db2.gz VIKRYBDMTRUYFX-UHFFFAOYSA-N 2 2 335.452 1.051 20 0 EDADLP CNC(=O)Nc1cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000912388064 593091923 /nfs/dbraw/zinc/09/19/23/593091923.db2.gz VIKRYBDMTRUYFX-UHFFFAOYSA-N 2 2 335.452 1.051 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@H]2C[N@@H+](C)C[C@H](C)O2)c1 ZINC000912531857 593103495 /nfs/dbraw/zinc/10/34/95/593103495.db2.gz BMZXQRCPAKPQON-DZGCQCFKSA-N 2 2 329.404 1.365 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@H]2C[N@H+](C)C[C@H](C)O2)c1 ZINC000912531857 593103496 /nfs/dbraw/zinc/10/34/96/593103496.db2.gz BMZXQRCPAKPQON-DZGCQCFKSA-N 2 2 329.404 1.365 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912595730 593107182 /nfs/dbraw/zinc/10/71/82/593107182.db2.gz UWCBGMXLTZBUJD-UHFFFAOYSA-N 2 2 334.464 1.644 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103230775 593225030 /nfs/dbraw/zinc/22/50/30/593225030.db2.gz SDJOLFBMJSFTEA-UHFFFAOYSA-N 2 2 331.460 1.614 20 0 EDADLP c1cc(N2CCCC2)nc(NCC2([NH+]3CCOCC3)CCOCC2)[nH+]1 ZINC000840333577 593570157 /nfs/dbraw/zinc/57/01/57/593570157.db2.gz UKZWTFUOWSHIEP-UHFFFAOYSA-N 2 2 347.463 1.370 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000817152514 593577259 /nfs/dbraw/zinc/57/72/59/593577259.db2.gz FJBOBRCECAITOB-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000817152514 593577261 /nfs/dbraw/zinc/57/72/61/593577261.db2.gz FJBOBRCECAITOB-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP O=C(CNC(=O)c1cccc2[nH+]ccn21)NCC[NH+]1CCCCCC1 ZINC000817163727 593578852 /nfs/dbraw/zinc/57/88/52/593578852.db2.gz KJNOHVUPYATDGM-UHFFFAOYSA-N 2 2 343.431 1.056 20 0 EDADLP COC(=O)C[C@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000817865291 593642378 /nfs/dbraw/zinc/64/23/78/593642378.db2.gz WWKZHAAPMVKDDL-ZDUSSCGKSA-N 2 2 334.376 1.240 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000817896583 593646483 /nfs/dbraw/zinc/64/64/83/593646483.db2.gz LLJZNGIUKCBTOI-DDTOSNHZSA-N 2 2 326.824 1.875 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C[C@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000818174730 593676922 /nfs/dbraw/zinc/67/69/22/593676922.db2.gz LKEZECAGUKNDMK-BZUAXINKSA-N 2 2 339.480 1.384 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000818174730 593676924 /nfs/dbraw/zinc/67/69/24/593676924.db2.gz LKEZECAGUKNDMK-BZUAXINKSA-N 2 2 339.480 1.384 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000818941230 593729048 /nfs/dbraw/zinc/72/90/48/593729048.db2.gz QVPFRRIHUREEKS-UHFFFAOYSA-N 2 2 348.509 1.205 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1=O ZINC000819223275 593745394 /nfs/dbraw/zinc/74/53/94/593745394.db2.gz YMDAEIOYWYEGGC-JKSUJKDBSA-N 2 2 346.406 1.373 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000819298972 593749377 /nfs/dbraw/zinc/74/93/77/593749377.db2.gz PIFSHCLRDFIFBZ-AWEZNQCLSA-N 2 2 338.452 1.585 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000820480925 593822404 /nfs/dbraw/zinc/82/24/04/593822404.db2.gz QOYZQUVLWIIIRF-LBPRGKRZSA-N 2 2 348.426 1.283 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000820480925 593822405 /nfs/dbraw/zinc/82/24/05/593822405.db2.gz QOYZQUVLWIIIRF-LBPRGKRZSA-N 2 2 348.426 1.283 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000823746914 593849113 /nfs/dbraw/zinc/84/91/13/593849113.db2.gz ADBIJGPXJTZSPU-LBPRGKRZSA-N 2 2 332.408 1.050 20 0 EDADLP CCn1nc(C)c(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000823866269 593875525 /nfs/dbraw/zinc/87/55/25/593875525.db2.gz FVFGXHKYCZTIPL-OAHLLOKOSA-N 2 2 342.447 1.724 20 0 EDADLP COc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1-c1nn[nH]n1 ZINC000821814060 593947125 /nfs/dbraw/zinc/94/71/25/593947125.db2.gz TXPZONKTDLHDRQ-UHFFFAOYSA-N 2 2 339.403 1.862 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000824565551 594039293 /nfs/dbraw/zinc/03/92/93/594039293.db2.gz YJLHNXLNVFUDLW-RBSFLKMASA-N 2 2 348.434 1.790 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000824565551 594039295 /nfs/dbraw/zinc/03/92/95/594039295.db2.gz YJLHNXLNVFUDLW-RBSFLKMASA-N 2 2 348.434 1.790 20 0 EDADLP COC[C@]1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC[NH2+]C1 ZINC000822729459 594092405 /nfs/dbraw/zinc/09/24/05/594092405.db2.gz ZDAOTSKHYQYFQW-SFHVURJKSA-N 2 2 339.399 1.859 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC[NH2+]1 ZINC000825174361 594142111 /nfs/dbraw/zinc/14/21/11/594142111.db2.gz MLOCGAGSPLZPSU-WBVHZDCISA-N 2 2 333.501 1.905 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC[NH2+]1 ZINC000825174361 594142113 /nfs/dbraw/zinc/14/21/13/594142113.db2.gz MLOCGAGSPLZPSU-WBVHZDCISA-N 2 2 333.501 1.905 20 0 EDADLP CC(C)N1C(=O)CC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000825268936 594158984 /nfs/dbraw/zinc/15/89/84/594158984.db2.gz ZWHBHLVXJIRBQR-HNNXBMFYSA-N 2 2 345.447 1.171 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000827666803 594254360 /nfs/dbraw/zinc/25/43/60/594254360.db2.gz YVXORBYNATWRQG-IRXDYDNUSA-N 2 2 325.497 1.726 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)o1 ZINC000827884851 594297187 /nfs/dbraw/zinc/29/71/87/594297187.db2.gz JVVYKTQXECVGPC-WAYWQWQTSA-N 2 2 330.388 1.522 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC000826029548 594310427 /nfs/dbraw/zinc/31/04/27/594310427.db2.gz SYIYJDRJPIVSGG-ZDUSSCGKSA-N 2 2 347.492 1.140 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC000826029548 594310430 /nfs/dbraw/zinc/31/04/30/594310430.db2.gz SYIYJDRJPIVSGG-ZDUSSCGKSA-N 2 2 347.492 1.140 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)CC[NH2+]C(C)(C)C)Cc3ccc[nH+]c3N2C1 ZINC000828098495 594340692 /nfs/dbraw/zinc/34/06/92/594340692.db2.gz KJXOPGDMDHFYNC-HZPDHXFCSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(N[C@H]2CCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000826262623 594402745 /nfs/dbraw/zinc/40/27/45/594402745.db2.gz UBTZLWKMLSBHLQ-ZDUSSCGKSA-N 2 2 336.403 1.964 20 0 EDADLP Cc1cc[nH+]c(N2CCN(c3[nH+]c(C)ccc3-c3nn[nH]n3)CC2)c1 ZINC000826311239 594418613 /nfs/dbraw/zinc/41/86/13/594418613.db2.gz YCEMNVYFBUAGFC-UHFFFAOYSA-N 2 2 336.403 1.600 20 0 EDADLP Cc1cc[nH+]c(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1-c1nn[nH]n1 ZINC000826313901 594420678 /nfs/dbraw/zinc/42/06/78/594420678.db2.gz XVSDYOBAXXIIOI-CHWSQXEVSA-N 2 2 331.424 1.481 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000826589411 594534020 /nfs/dbraw/zinc/53/40/20/594534020.db2.gz IDOOKLPNKDZILB-KRWDZBQOSA-N 2 2 328.416 1.209 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000826589411 594534021 /nfs/dbraw/zinc/53/40/21/594534021.db2.gz IDOOKLPNKDZILB-KRWDZBQOSA-N 2 2 328.416 1.209 20 0 EDADLP C[C@@H](NC(=O)Nc1cccc(OCC[NH3+])c1)[C@H](C)[NH+]1CCOCC1 ZINC000841287508 594881972 /nfs/dbraw/zinc/88/19/72/594881972.db2.gz MJSUFPZUYLWSNL-KGLIPLIRSA-N 2 2 336.436 1.255 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1[nH+]ccn1C ZINC000841667829 594932871 /nfs/dbraw/zinc/93/28/71/594932871.db2.gz FKCNJGQEFZHZLU-CZUORRHYSA-N 2 2 343.431 1.521 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1C ZINC000841759940 594948341 /nfs/dbraw/zinc/94/83/41/594948341.db2.gz CBORSEDUKOUVTH-GFCCVEGCSA-N 2 2 328.363 1.503 20 0 EDADLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCn3cc[nH+]c32)Cc2ccccc2C1 ZINC000836325238 594951963 /nfs/dbraw/zinc/95/19/63/594951963.db2.gz WJADCOPYWCMIPN-MRXNPFEDSA-N 2 2 339.443 1.726 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000836519643 594971669 /nfs/dbraw/zinc/97/16/69/594971669.db2.gz ZJPDYYPNCWOIMW-KRWDZBQOSA-N 2 2 339.443 1.898 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)c1[nH+]ccn1C ZINC000836620823 594980945 /nfs/dbraw/zinc/98/09/45/594980945.db2.gz GGHAQZFGHKTJAH-XJKSGUPXSA-N 2 2 345.447 1.767 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841930898 594984464 /nfs/dbraw/zinc/98/44/64/594984464.db2.gz DHEFVDMRKJQMQW-OAHLLOKOSA-N 2 2 334.464 1.050 20 0 EDADLP [NH3+][C@@H](Cc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1)C1CC1 ZINC000843206532 595034658 /nfs/dbraw/zinc/03/46/58/595034658.db2.gz YQVJIOFKFPWYNO-JKSUJKDBSA-N 2 2 328.416 1.923 20 0 EDADLP [NH3+][C@@H](Cc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)C1CC1 ZINC000843206532 595034661 /nfs/dbraw/zinc/03/46/61/595034661.db2.gz YQVJIOFKFPWYNO-JKSUJKDBSA-N 2 2 328.416 1.923 20 0 EDADLP CC[C@H](C)C[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000843310286 595070490 /nfs/dbraw/zinc/07/04/90/595070490.db2.gz IFXHFECEGHRUEZ-NUEKZKHPSA-N 2 2 336.480 1.512 20 0 EDADLP CC[C@H](C)C[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000843310286 595070492 /nfs/dbraw/zinc/07/04/92/595070492.db2.gz IFXHFECEGHRUEZ-NUEKZKHPSA-N 2 2 336.480 1.512 20 0 EDADLP CCOC(=O)C1=C(C[N@H+](C)CCC[NH3+])NC(=O)N[C@H]1c1ccccc1 ZINC000843351236 595083831 /nfs/dbraw/zinc/08/38/31/595083831.db2.gz MSEROGCUGWYBFQ-INIZCTEOSA-N 2 2 346.431 1.138 20 0 EDADLP CCOC(=O)C1=C(C[N@@H+](C)CCC[NH3+])NC(=O)N[C@H]1c1ccccc1 ZINC000843351236 595083835 /nfs/dbraw/zinc/08/38/35/595083835.db2.gz MSEROGCUGWYBFQ-INIZCTEOSA-N 2 2 346.431 1.138 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843362672 595087478 /nfs/dbraw/zinc/08/74/78/595087478.db2.gz MXPHPPUOEOXDBK-LSDHHAIUSA-N 2 2 346.475 1.680 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843362672 595087481 /nfs/dbraw/zinc/08/74/81/595087481.db2.gz MXPHPPUOEOXDBK-LSDHHAIUSA-N 2 2 346.475 1.680 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000843362112 595087939 /nfs/dbraw/zinc/08/79/39/595087939.db2.gz REFVJJGNCCOYGM-LQDVMPOASA-N 2 2 331.416 1.741 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000843362112 595087944 /nfs/dbraw/zinc/08/79/44/595087944.db2.gz REFVJJGNCCOYGM-LQDVMPOASA-N 2 2 331.416 1.741 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c21)Cc1ccccc1 ZINC000837354994 595091036 /nfs/dbraw/zinc/09/10/36/595091036.db2.gz XVTVSUWRRIBIIB-CVEARBPZSA-N 2 2 327.432 1.800 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000837422454 595106784 /nfs/dbraw/zinc/10/67/84/595106784.db2.gz LDLPYYZVBXHZAF-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000837422454 595106787 /nfs/dbraw/zinc/10/67/87/595106787.db2.gz LDLPYYZVBXHZAF-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000846276675 595194867 /nfs/dbraw/zinc/19/48/67/595194867.db2.gz ARUUHSKDSCQDDI-GASCZTMLSA-N 2 2 334.464 1.330 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000846276675 595194871 /nfs/dbraw/zinc/19/48/71/595194871.db2.gz ARUUHSKDSCQDDI-GASCZTMLSA-N 2 2 334.464 1.330 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000843094320 595286173 /nfs/dbraw/zinc/28/61/73/595286173.db2.gz KMQUVIKVOFPGCW-QGZVFWFLSA-N 2 2 348.491 1.518 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000843094320 595286174 /nfs/dbraw/zinc/28/61/74/595286174.db2.gz KMQUVIKVOFPGCW-QGZVFWFLSA-N 2 2 348.491 1.518 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1[nH+]ccn1C ZINC000844167485 595289338 /nfs/dbraw/zinc/28/93/38/595289338.db2.gz KTCCVDJVNGDGQW-CABCVRRESA-N 2 2 328.416 1.632 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000844187391 595296432 /nfs/dbraw/zinc/29/64/32/595296432.db2.gz FOZGGEPBGQHSIH-LLVKDONJSA-N 2 2 341.406 1.288 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000844187391 595296434 /nfs/dbraw/zinc/29/64/34/595296434.db2.gz FOZGGEPBGQHSIH-LLVKDONJSA-N 2 2 341.406 1.288 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)CC(F)(F)C[NH3+])c1[nH+]ccn1C ZINC000846672014 595297660 /nfs/dbraw/zinc/29/76/60/595297660.db2.gz ACXINQBEAWABJR-CQSZACIVSA-N 2 2 338.358 1.618 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708049 595305011 /nfs/dbraw/zinc/30/50/11/595305011.db2.gz KWOPBMDACFDYLR-CABCVRRESA-N 2 2 332.448 1.273 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708049 595305013 /nfs/dbraw/zinc/30/50/13/595305013.db2.gz KWOPBMDACFDYLR-CABCVRRESA-N 2 2 332.448 1.273 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844227486 595310298 /nfs/dbraw/zinc/31/02/98/595310298.db2.gz WVQQKAGUGCHVHH-SPYBWZPUSA-N 2 2 346.475 1.438 20 0 EDADLP C[NH+](C)C1CC[NH+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846769785 595314176 /nfs/dbraw/zinc/31/41/76/595314176.db2.gz PLUKVYTZWLNVEZ-GOSISDBHSA-N 2 2 341.496 1.774 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)C1 ZINC000846911830 595336295 /nfs/dbraw/zinc/33/62/95/595336295.db2.gz KDEQQNRNCWYFAP-CJNGLKHVSA-N 2 2 338.448 1.407 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)C1 ZINC000846911830 595336297 /nfs/dbraw/zinc/33/62/97/595336297.db2.gz KDEQQNRNCWYFAP-CJNGLKHVSA-N 2 2 338.448 1.407 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cn1cc(-c2ccncn2)cn1 ZINC000848482527 595391505 /nfs/dbraw/zinc/39/15/05/595391505.db2.gz OIBWDJKJCHCESF-KBAYOESNSA-N 2 2 342.447 1.481 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cn1cc(-c2ccncn2)cn1 ZINC000848482527 595391508 /nfs/dbraw/zinc/39/15/08/595391508.db2.gz OIBWDJKJCHCESF-KBAYOESNSA-N 2 2 342.447 1.481 20 0 EDADLP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000849012581 595474369 /nfs/dbraw/zinc/47/43/69/595474369.db2.gz ANAXOKZLTVUBHM-HZPDHXFCSA-N 2 2 326.485 1.416 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000849330286 595506965 /nfs/dbraw/zinc/50/69/65/595506965.db2.gz NNJHGTDOJYBOEN-ZACQAIPSSA-N 2 2 340.414 1.883 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000849330286 595506966 /nfs/dbraw/zinc/50/69/66/595506966.db2.gz NNJHGTDOJYBOEN-ZACQAIPSSA-N 2 2 340.414 1.883 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CCN(C=O)CC2)C1 ZINC000850577113 595536800 /nfs/dbraw/zinc/53/68/00/595536800.db2.gz SUENOCUJJVVUNS-IBGZPJMESA-N 2 2 330.476 1.013 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CCN(C=O)CC2)C1 ZINC000850577113 595536801 /nfs/dbraw/zinc/53/68/01/595536801.db2.gz SUENOCUJJVVUNS-IBGZPJMESA-N 2 2 330.476 1.013 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3=NO[C@@H](C[NH3+])C3)n2)C1 ZINC000852855042 595576729 /nfs/dbraw/zinc/57/67/29/595576729.db2.gz UTTJZNHIUBJFKQ-CMPLNLGQSA-N 2 2 337.449 1.417 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3=NO[C@@H](C[NH3+])C3)n2)C1 ZINC000852855042 595576736 /nfs/dbraw/zinc/57/67/36/595576736.db2.gz UTTJZNHIUBJFKQ-CMPLNLGQSA-N 2 2 337.449 1.417 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C=C3CC[NH2+]CC3)CC2)cc1F ZINC000852854967 595576934 /nfs/dbraw/zinc/57/69/34/595576934.db2.gz CUWDVSCOZNPWRM-UHFFFAOYSA-N 2 2 347.434 1.788 20 0 EDADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cnc1F ZINC000857710448 595581786 /nfs/dbraw/zinc/58/17/86/595581786.db2.gz CNEREEFYGBNOCV-UHFFFAOYSA-N 2 2 334.439 1.818 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849609456 595594016 /nfs/dbraw/zinc/59/40/16/595594016.db2.gz XDXXMUJWSNLENS-SJORKVTESA-N 2 2 344.463 1.616 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849609456 595594019 /nfs/dbraw/zinc/59/40/19/595594019.db2.gz XDXXMUJWSNLENS-SJORKVTESA-N 2 2 344.463 1.616 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H](c2cnn(C)c2)C1 ZINC000849609456 595594023 /nfs/dbraw/zinc/59/40/23/595594023.db2.gz XDXXMUJWSNLENS-SJORKVTESA-N 2 2 344.463 1.616 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)[C@H](c2cnn(C)c2)C1 ZINC000849609456 595594025 /nfs/dbraw/zinc/59/40/25/595594025.db2.gz XDXXMUJWSNLENS-SJORKVTESA-N 2 2 344.463 1.616 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C(C)(C)CO ZINC000855113015 595600011 /nfs/dbraw/zinc/60/00/11/595600011.db2.gz BPSOCNWRZIYVFV-MRXNPFEDSA-N 2 2 336.480 1.862 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857850605 595632471 /nfs/dbraw/zinc/63/24/71/595632471.db2.gz ZGEUUKQWJJOCOU-MRXNPFEDSA-N 2 2 326.448 1.724 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857850605 595632476 /nfs/dbraw/zinc/63/24/76/595632476.db2.gz ZGEUUKQWJJOCOU-MRXNPFEDSA-N 2 2 326.448 1.724 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792506 595737651 /nfs/dbraw/zinc/73/76/51/595737651.db2.gz SLVRRFBCKSJFEE-LLVKDONJSA-N 2 2 347.444 1.708 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000858466270 595803310 /nfs/dbraw/zinc/80/33/10/595803310.db2.gz BTTGIZCGDWNWHP-RFGFWPKPSA-N 2 2 329.535 1.295 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000858466270 595803314 /nfs/dbraw/zinc/80/33/14/595803314.db2.gz BTTGIZCGDWNWHP-RFGFWPKPSA-N 2 2 329.535 1.295 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3C[C@H](O)c4ccccc43)cn2)CC1 ZINC000850372325 595821637 /nfs/dbraw/zinc/82/16/37/595821637.db2.gz SWJVXBBOHWWNLT-MSOLQXFVSA-N 2 2 339.443 1.496 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000850422416 595831382 /nfs/dbraw/zinc/83/13/82/595831382.db2.gz PPHHPQHKDDUPAV-JCYILVPMSA-N 2 2 341.496 1.990 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000850422416 595831385 /nfs/dbraw/zinc/83/13/85/595831385.db2.gz PPHHPQHKDDUPAV-JCYILVPMSA-N 2 2 341.496 1.990 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[C@H](C[NH3+])C1 ZINC000851655449 595869399 /nfs/dbraw/zinc/86/93/99/595869399.db2.gz WEXSSXUVLWTZEN-HIFRSBDPSA-N 2 2 328.420 1.536 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2SCCS2)CC1 ZINC000853913198 595920092 /nfs/dbraw/zinc/92/00/92/595920092.db2.gz HSTXBQRWCKBRJY-UHFFFAOYSA-N 2 2 332.539 1.118 20 0 EDADLP CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000861347540 595953446 /nfs/dbraw/zinc/95/34/46/595953446.db2.gz JZDQHVYXZBLATK-YOEHRIQHSA-N 2 2 330.388 1.533 20 0 EDADLP CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000861347540 595953447 /nfs/dbraw/zinc/95/34/47/595953447.db2.gz JZDQHVYXZBLATK-YOEHRIQHSA-N 2 2 330.388 1.533 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCc2ccccc2OC1 ZINC000854049378 595962559 /nfs/dbraw/zinc/96/25/59/595962559.db2.gz ZSOFLEIOBNHQQC-KRWDZBQOSA-N 2 2 348.491 1.563 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCc2ccccc2OC1 ZINC000854049378 595962561 /nfs/dbraw/zinc/96/25/61/595962561.db2.gz ZSOFLEIOBNHQQC-KRWDZBQOSA-N 2 2 348.491 1.563 20 0 EDADLP CC[NH+](CC)CCC[N@@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126050 595982342 /nfs/dbraw/zinc/98/23/42/595982342.db2.gz DRYDFTAKVZSRIL-UHFFFAOYSA-N 2 2 328.464 1.967 20 0 EDADLP CC[NH+](CC)CCC[N@H+]1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854126050 595982346 /nfs/dbraw/zinc/98/23/46/595982346.db2.gz DRYDFTAKVZSRIL-UHFFFAOYSA-N 2 2 328.464 1.967 20 0 EDADLP CC(C)(C)OC(=O)N1CC([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000852008512 596006231 /nfs/dbraw/zinc/00/62/31/596006231.db2.gz HBGZRLBTIRDNFA-OAHLLOKOSA-N 2 2 339.480 1.792 20 0 EDADLP CC(C)(C)OC(=O)N1CC([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000852008512 596006233 /nfs/dbraw/zinc/00/62/33/596006233.db2.gz HBGZRLBTIRDNFA-OAHLLOKOSA-N 2 2 339.480 1.792 20 0 EDADLP CCN1OC[C@@H]([N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584221 596021094 /nfs/dbraw/zinc/02/10/94/596021094.db2.gz FIIKWGQKVNXYQO-IAGOWNOFSA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@@H]([N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584221 596021096 /nfs/dbraw/zinc/02/10/96/596021096.db2.gz FIIKWGQKVNXYQO-IAGOWNOFSA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@@H]([NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856584221 596021100 /nfs/dbraw/zinc/02/11/00/596021100.db2.gz FIIKWGQKVNXYQO-IAGOWNOFSA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@@H]([NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856584221 596021103 /nfs/dbraw/zinc/02/11/03/596021103.db2.gz FIIKWGQKVNXYQO-IAGOWNOFSA-N 2 2 348.447 1.149 20 0 EDADLP CC[C@@H](C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1)[NH+](CC)CC ZINC000856609808 596033135 /nfs/dbraw/zinc/03/31/35/596033135.db2.gz FDXSHBBVVKBDKY-BBWFWOEESA-N 2 2 346.475 1.484 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000854725943 596176139 /nfs/dbraw/zinc/17/61/39/596176139.db2.gz CWXMDXFKDGCNFQ-MAUKXSAKSA-N 2 2 341.471 1.522 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000854725943 596176140 /nfs/dbraw/zinc/17/61/40/596176140.db2.gz CWXMDXFKDGCNFQ-MAUKXSAKSA-N 2 2 341.471 1.522 20 0 EDADLP O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000864537147 596256896 /nfs/dbraw/zinc/25/68/96/596256896.db2.gz XQHQBZRNKAVEJX-GJZGRUSLSA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000864537147 596256898 /nfs/dbraw/zinc/25/68/98/596256898.db2.gz XQHQBZRNKAVEJX-GJZGRUSLSA-N 2 2 345.434 1.287 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)/C=C\C[NH+]3CCOCC3)CC2)c1 ZINC000864544539 596258678 /nfs/dbraw/zinc/25/86/78/596258678.db2.gz UCVMAUZNPMOZBN-UTCJRWHESA-N 2 2 343.471 1.528 20 0 EDADLP Cn1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(Br)n1 ZINC000862241648 596285652 /nfs/dbraw/zinc/28/56/52/596285652.db2.gz GQHPPYNKKYQNKV-UHFFFAOYSA-N 2 2 345.285 1.725 20 0 EDADLP Cc1ccc([C@H](O)c2cn(CC[N@@H+](C)CCC[NH+](C)C)nn2)cc1 ZINC000864645581 596295289 /nfs/dbraw/zinc/29/52/89/596295289.db2.gz FTFQLGYIZSDBJK-SFHVURJKSA-N 2 2 331.464 1.552 20 0 EDADLP Cc1ccc([C@H](O)c2cn(CC[N@H+](C)CCC[NH+](C)C)nn2)cc1 ZINC000864645581 596295293 /nfs/dbraw/zinc/29/52/93/596295293.db2.gz FTFQLGYIZSDBJK-SFHVURJKSA-N 2 2 331.464 1.552 20 0 EDADLP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866707521 596302140 /nfs/dbraw/zinc/30/21/40/596302140.db2.gz APSVHCIDMSYBSG-RQJABVFESA-N 2 2 349.435 1.340 20 0 EDADLP CCCCc1noc([C@@H](C)[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866707521 596302142 /nfs/dbraw/zinc/30/21/42/596302142.db2.gz APSVHCIDMSYBSG-RQJABVFESA-N 2 2 349.435 1.340 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)C[C@H](C)O1 ZINC000864669282 596302198 /nfs/dbraw/zinc/30/21/98/596302198.db2.gz YMMDYSBAVLMQBO-KBPBESRZSA-N 2 2 348.422 1.631 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCS(=O)(=O)c2ccccn2)C1 ZINC000866707809 596302843 /nfs/dbraw/zinc/30/28/43/596302843.db2.gz KGBMXWIQSROLBT-MRXNPFEDSA-N 2 2 325.478 1.552 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CCS(=O)(=O)c2ccccn2)C1 ZINC000866707809 596302848 /nfs/dbraw/zinc/30/28/48/596302848.db2.gz KGBMXWIQSROLBT-MRXNPFEDSA-N 2 2 325.478 1.552 20 0 EDADLP Cn1c[nH+]c(CC[NH2+]C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1 ZINC000862391387 596318849 /nfs/dbraw/zinc/31/88/49/596318849.db2.gz HJYRGYXZPPSESK-CQSZACIVSA-N 2 2 338.452 1.924 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000868960471 596364330 /nfs/dbraw/zinc/36/43/30/596364330.db2.gz KQJJWWOOMHXKIP-CQSZACIVSA-N 2 2 347.450 1.533 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000868960471 596364336 /nfs/dbraw/zinc/36/43/36/596364336.db2.gz KQJJWWOOMHXKIP-CQSZACIVSA-N 2 2 347.450 1.533 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000868960470 596364463 /nfs/dbraw/zinc/36/44/63/596364463.db2.gz KQJJWWOOMHXKIP-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000868960470 596364467 /nfs/dbraw/zinc/36/44/67/596364467.db2.gz KQJJWWOOMHXKIP-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])C2)cc1 ZINC000870979366 596427135 /nfs/dbraw/zinc/42/71/35/596427135.db2.gz JHHADBWLDOULGO-IPMKNSEASA-N 2 2 345.487 1.830 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])C2)cc1 ZINC000870979366 596427140 /nfs/dbraw/zinc/42/71/40/596427140.db2.gz JHHADBWLDOULGO-IPMKNSEASA-N 2 2 345.487 1.830 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000871282446 596522199 /nfs/dbraw/zinc/52/21/99/596522199.db2.gz BQIBMRICGGJZFR-GOSISDBHSA-N 2 2 342.443 1.288 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000871282446 596522200 /nfs/dbraw/zinc/52/22/00/596522200.db2.gz BQIBMRICGGJZFR-GOSISDBHSA-N 2 2 342.443 1.288 20 0 EDADLP c1c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)nnn1C[C@H]1CCCO1 ZINC000865482945 596587512 /nfs/dbraw/zinc/58/75/12/596587512.db2.gz BVQRFXAIDVBRDL-GOSISDBHSA-N 2 2 333.480 1.954 20 0 EDADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)/C=C/C[NH+]3CCOCC3)cccc21 ZINC000867907162 596612209 /nfs/dbraw/zinc/61/22/09/596612209.db2.gz OUSFVLDCRXROAB-BBOMDTFKSA-N 2 2 345.443 1.899 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000863549994 596615586 /nfs/dbraw/zinc/61/55/86/596615586.db2.gz WKFIYYADPMNCGH-CVEARBPZSA-N 2 2 337.370 1.722 20 0 EDADLP CCC[N@H+](C)CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542135 596620594 /nfs/dbraw/zinc/62/05/94/596620594.db2.gz YIVABCWWWYYRJL-UHFFFAOYSA-N 2 2 327.469 1.251 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542135 596620597 /nfs/dbraw/zinc/62/05/97/596620597.db2.gz YIVABCWWWYYRJL-UHFFFAOYSA-N 2 2 327.469 1.251 20 0 EDADLP CCCNc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc[nH+]1 ZINC000865631850 596632878 /nfs/dbraw/zinc/63/28/78/596632878.db2.gz JSMPYBZMTWPOMV-CQSZACIVSA-N 2 2 332.452 1.217 20 0 EDADLP CCCNc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)nc[nH+]1 ZINC000865631850 596632882 /nfs/dbraw/zinc/63/28/82/596632882.db2.gz JSMPYBZMTWPOMV-CQSZACIVSA-N 2 2 332.452 1.217 20 0 EDADLP CCCNc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)[nH+]cn1 ZINC000865631850 596632885 /nfs/dbraw/zinc/63/28/85/596632885.db2.gz JSMPYBZMTWPOMV-CQSZACIVSA-N 2 2 332.452 1.217 20 0 EDADLP CCCNc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)[nH+]cn1 ZINC000865631850 596632889 /nfs/dbraw/zinc/63/28/89/596632889.db2.gz JSMPYBZMTWPOMV-CQSZACIVSA-N 2 2 332.452 1.217 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000865885236 596709896 /nfs/dbraw/zinc/70/98/96/596709896.db2.gz GZKLNJNFUJSMEG-RQOWECAXSA-N 2 2 344.459 1.051 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH2+][C@@H](c3ccc(O)cc3)C1)CC2 ZINC000870091091 596746395 /nfs/dbraw/zinc/74/63/95/596746395.db2.gz OPMRUKQTUKZVLV-MAUKXSAKSA-N 2 2 340.427 1.633 20 0 EDADLP C[NH+](C)C[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)C[C@H]1C[NH+](C)C ZINC000866012796 596758152 /nfs/dbraw/zinc/75/81/52/596758152.db2.gz QNKNIYBGYBFRSP-IAGOWNOFSA-N 3 2 346.523 1.643 20 0 EDADLP C[NH+](C)C[C@@H]1CN(c2cc(N3CCCCC3)nc[nH+]2)C[C@H]1C[NH+](C)C ZINC000866012796 596758153 /nfs/dbraw/zinc/75/81/53/596758153.db2.gz QNKNIYBGYBFRSP-IAGOWNOFSA-N 3 2 346.523 1.643 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000870124027 596760572 /nfs/dbraw/zinc/76/05/72/596760572.db2.gz KTXFDVNTNVZWFZ-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000870124027 596760573 /nfs/dbraw/zinc/76/05/73/596760573.db2.gz KTXFDVNTNVZWFZ-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)n1C ZINC000868374428 596810566 /nfs/dbraw/zinc/81/05/66/596810566.db2.gz RTMWLWNGEQBTBC-INIZCTEOSA-N 2 2 342.447 1.472 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)n1C ZINC000868374428 596810568 /nfs/dbraw/zinc/81/05/68/596810568.db2.gz RTMWLWNGEQBTBC-INIZCTEOSA-N 2 2 342.447 1.472 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)C[C@H]1C(F)(F)F ZINC000872147059 596810860 /nfs/dbraw/zinc/81/08/60/596810860.db2.gz CNDYIBIJKVUYAD-ZYHUDNBSSA-N 2 2 326.322 1.264 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)C[C@H]1C(F)(F)F ZINC000872147059 596810865 /nfs/dbraw/zinc/81/08/65/596810865.db2.gz CNDYIBIJKVUYAD-ZYHUDNBSSA-N 2 2 326.322 1.264 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872150235 596812584 /nfs/dbraw/zinc/81/25/84/596812584.db2.gz ZDDIQOHXSTWEEN-GXTWGEPZSA-N 2 2 345.365 1.380 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872150235 596812586 /nfs/dbraw/zinc/81/25/86/596812586.db2.gz ZDDIQOHXSTWEEN-GXTWGEPZSA-N 2 2 345.365 1.380 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149938 596812778 /nfs/dbraw/zinc/81/27/78/596812778.db2.gz PIYPUWPLUUHYLQ-OPRDCNLKSA-N 2 2 338.374 1.068 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149938 596812780 /nfs/dbraw/zinc/81/27/80/596812780.db2.gz PIYPUWPLUUHYLQ-OPRDCNLKSA-N 2 2 338.374 1.068 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1F ZINC000872153027 596813894 /nfs/dbraw/zinc/81/38/94/596813894.db2.gz YKOPMOHUCZGGPX-FRIZHTMISA-N 2 2 349.450 1.723 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1F ZINC000872153027 596813895 /nfs/dbraw/zinc/81/38/95/596813895.db2.gz YKOPMOHUCZGGPX-FRIZHTMISA-N 2 2 349.450 1.723 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000872218306 596840575 /nfs/dbraw/zinc/84/05/75/596840575.db2.gz MGIQGUZNRBZAGU-GJZGRUSLSA-N 2 2 347.459 1.342 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000872218306 596840578 /nfs/dbraw/zinc/84/05/78/596840578.db2.gz MGIQGUZNRBZAGU-GJZGRUSLSA-N 2 2 347.459 1.342 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000872219034 596840737 /nfs/dbraw/zinc/84/07/37/596840737.db2.gz UNDFXCCVTXGOIF-WFASDCNBSA-N 2 2 330.831 1.947 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000872219034 596840739 /nfs/dbraw/zinc/84/07/39/596840739.db2.gz UNDFXCCVTXGOIF-WFASDCNBSA-N 2 2 330.831 1.947 20 0 EDADLP C[C@@H](CCNC(=O)/C=C\C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000866291844 596849475 /nfs/dbraw/zinc/84/94/75/596849475.db2.gz JLNYCYNBRQGPKI-KKMIYCERSA-N 2 2 345.487 1.902 20 0 EDADLP C[C@@H](CCNC(=O)/C=C\C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000866291844 596849479 /nfs/dbraw/zinc/84/94/79/596849479.db2.gz JLNYCYNBRQGPKI-KKMIYCERSA-N 2 2 345.487 1.902 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000864408365 596885415 /nfs/dbraw/zinc/88/54/15/596885415.db2.gz ZDTFUOQTNVXFHF-INIZCTEOSA-N 2 2 339.443 1.799 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000875644439 596931461 /nfs/dbraw/zinc/93/14/61/596931461.db2.gz FEKGYUFBWJEDRP-ZBFHGGJFSA-N 2 2 349.479 1.889 20 0 EDADLP O=C(C[NH+]1CCCC1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000874381641 597049739 /nfs/dbraw/zinc/04/97/39/597049739.db2.gz TYXHJCPOWQNGCW-UHFFFAOYSA-N 2 2 346.475 1.228 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876110627 597094556 /nfs/dbraw/zinc/09/45/56/597094556.db2.gz FTZLMNSFBXZIGT-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000874709636 597154873 /nfs/dbraw/zinc/15/48/73/597154873.db2.gz HOONLCOIAZZDAQ-QGZVFWFLSA-N 2 2 342.443 1.642 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000874709636 597154875 /nfs/dbraw/zinc/15/48/75/597154875.db2.gz HOONLCOIAZZDAQ-QGZVFWFLSA-N 2 2 342.443 1.642 20 0 EDADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccc(OC)cc3)nn2)C1 ZINC000873015796 597161553 /nfs/dbraw/zinc/16/15/53/597161553.db2.gz XQPOGHSAHDTQMB-INIZCTEOSA-N 2 2 329.448 1.766 20 0 EDADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccc(OC)cc3)nn2)C1 ZINC000873015796 597161555 /nfs/dbraw/zinc/16/15/55/597161555.db2.gz XQPOGHSAHDTQMB-INIZCTEOSA-N 2 2 329.448 1.766 20 0 EDADLP COCCN(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cn1 ZINC000873227629 597234291 /nfs/dbraw/zinc/23/42/91/597234291.db2.gz JZCAGZURVOUETC-ZIAGYGMSSA-N 2 2 346.397 1.733 20 0 EDADLP COCCN(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cn1 ZINC000873227629 597234293 /nfs/dbraw/zinc/23/42/93/597234293.db2.gz JZCAGZURVOUETC-ZIAGYGMSSA-N 2 2 346.397 1.733 20 0 EDADLP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nnnn1C1CC1 ZINC000873248148 597239443 /nfs/dbraw/zinc/23/94/43/597239443.db2.gz AFCKSYUQEQQKJG-XLWVJDPXSA-N 2 2 340.431 1.915 20 0 EDADLP Cn1ncc(I)c1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000873276531 597245607 /nfs/dbraw/zinc/24/56/07/597245607.db2.gz QBFQDSXIGNEUQV-MNOVXSKESA-N 2 2 348.232 1.774 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000875072594 597270489 /nfs/dbraw/zinc/27/04/89/597270489.db2.gz CJBIVWQGWVNSFH-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000875092089 597277882 /nfs/dbraw/zinc/27/78/82/597277882.db2.gz RSIWWGABJMDNGL-SFHVURJKSA-N 2 2 348.491 1.658 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000875092089 597277883 /nfs/dbraw/zinc/27/78/83/597277883.db2.gz RSIWWGABJMDNGL-SFHVURJKSA-N 2 2 348.491 1.658 20 0 EDADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000876737077 597313960 /nfs/dbraw/zinc/31/39/60/597313960.db2.gz PSFBOQREKGNHGT-JOHXTKAHSA-N 2 2 329.444 1.869 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876893558 597373272 /nfs/dbraw/zinc/37/32/72/597373272.db2.gz ZJGOENOPOCVMCZ-WXHSDQCUSA-N 2 2 329.416 1.793 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000875301863 597376213 /nfs/dbraw/zinc/37/62/13/597376213.db2.gz GHXLUMYQVFLDKV-HOTGVXAUSA-N 2 2 342.528 1.763 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000875301863 597376216 /nfs/dbraw/zinc/37/62/16/597376216.db2.gz GHXLUMYQVFLDKV-HOTGVXAUSA-N 2 2 342.528 1.763 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000876955910 597395829 /nfs/dbraw/zinc/39/58/29/597395829.db2.gz DJTWIRSDOOVLPL-GFCCVEGCSA-N 2 2 342.490 1.797 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000875368901 597403339 /nfs/dbraw/zinc/40/33/39/597403339.db2.gz BFNAXYFWYRFNSS-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000875368901 597403342 /nfs/dbraw/zinc/40/33/42/597403342.db2.gz BFNAXYFWYRFNSS-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000875368901 597403344 /nfs/dbraw/zinc/40/33/44/597403344.db2.gz BFNAXYFWYRFNSS-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000875368901 597403347 /nfs/dbraw/zinc/40/33/47/597403347.db2.gz BFNAXYFWYRFNSS-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP C[N@@H+]1CCN(CCCNC(=O)C[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000873986154 597479631 /nfs/dbraw/zinc/47/96/31/597479631.db2.gz KTGLQOXLYYBCRG-IBGZPJMESA-N 2 2 344.503 1.577 20 0 EDADLP C[N@H+]1CCN(CCCNC(=O)C[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000873986154 597479634 /nfs/dbraw/zinc/47/96/34/597479634.db2.gz KTGLQOXLYYBCRG-IBGZPJMESA-N 2 2 344.503 1.577 20 0 EDADLP O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1ccc(-n2cc[nH+]c2)nn1 ZINC000877403476 597510712 /nfs/dbraw/zinc/51/07/12/597510712.db2.gz QJXCFQPLTXTLAS-HNNXBMFYSA-N 2 2 340.431 1.705 20 0 EDADLP COc1cnc(F)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000877524986 597530695 /nfs/dbraw/zinc/53/06/95/597530695.db2.gz MZEXULNROBMJLK-UHFFFAOYSA-N 2 2 336.455 1.689 20 0 EDADLP Cc1cccc2[nH+]cc(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)n21 ZINC000877669450 597546379 /nfs/dbraw/zinc/54/63/79/597546379.db2.gz JWKFMVIEXQAOSL-IAGOWNOFSA-N 3 2 329.492 1.814 20 0 EDADLP O[C@]1(C[N@@H+]2CCCC3(C2)OCCO3)CC[NH+](Cc2ccccc2)C1 ZINC000878283097 597592505 /nfs/dbraw/zinc/59/25/05/597592505.db2.gz CCHOWRGAUHMLJZ-GOSISDBHSA-N 2 2 332.444 1.462 20 0 EDADLP O[C@]1(C[N@H+]2CCCC3(C2)OCCO3)CC[NH+](Cc2ccccc2)C1 ZINC000878283097 597592506 /nfs/dbraw/zinc/59/25/06/597592506.db2.gz CCHOWRGAUHMLJZ-GOSISDBHSA-N 2 2 332.444 1.462 20 0 EDADLP O[C@]1(C[NH+]2CCCC3(C2)OCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000878283097 597592507 /nfs/dbraw/zinc/59/25/07/597592507.db2.gz CCHOWRGAUHMLJZ-GOSISDBHSA-N 2 2 332.444 1.462 20 0 EDADLP O[C@]1(C[NH+]2CCCC3(C2)OCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000878283097 597592508 /nfs/dbraw/zinc/59/25/08/597592508.db2.gz CCHOWRGAUHMLJZ-GOSISDBHSA-N 2 2 332.444 1.462 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)CC1 ZINC000879502856 597610147 /nfs/dbraw/zinc/61/01/47/597610147.db2.gz PDNRZMYHIBGKFA-QGZVFWFLSA-N 2 2 343.475 1.076 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)CC1 ZINC000879502856 597610151 /nfs/dbraw/zinc/61/01/51/597610151.db2.gz PDNRZMYHIBGKFA-QGZVFWFLSA-N 2 2 343.475 1.076 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591926 597648186 /nfs/dbraw/zinc/64/81/86/597648186.db2.gz VGRIOCRMZLHNCZ-LJQANCHMSA-N 2 2 344.503 1.528 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878668303 597673067 /nfs/dbraw/zinc/67/30/67/597673067.db2.gz RJKCCUUHRFAKGH-INIZCTEOSA-N 2 2 328.497 1.258 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000878668388 597673582 /nfs/dbraw/zinc/67/35/82/597673582.db2.gz UNZKAJJOUSOISB-ZWKOTPCHSA-N 2 2 336.476 1.296 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000883371418 597725740 /nfs/dbraw/zinc/72/57/40/597725740.db2.gz JLKLCYPXAXXYNL-QZTJIDSGSA-N 2 2 337.508 1.332 20 0 EDADLP O[C@H](C[C@H](O)c1ccccc1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000878993935 597778296 /nfs/dbraw/zinc/77/82/96/597778296.db2.gz QGNZUQYEPVRYLB-QRVBRYPASA-N 2 2 334.460 1.002 20 0 EDADLP O[C@H](C[C@H](O)c1ccccc1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000878993935 597778299 /nfs/dbraw/zinc/77/82/99/597778299.db2.gz QGNZUQYEPVRYLB-QRVBRYPASA-N 2 2 334.460 1.002 20 0 EDADLP COCC1([N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000880186599 597869208 /nfs/dbraw/zinc/86/92/08/597869208.db2.gz ICXUZXLGPYBUEG-UHFFFAOYSA-N 2 2 345.487 1.832 20 0 EDADLP COCC1([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000880186599 597869210 /nfs/dbraw/zinc/86/92/10/597869210.db2.gz ICXUZXLGPYBUEG-UHFFFAOYSA-N 2 2 345.487 1.832 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000880254784 597884553 /nfs/dbraw/zinc/88/45/53/597884553.db2.gz NTCRYKOUWKJKRW-YESZJQIVSA-N 2 2 335.492 1.750 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261495 597886503 /nfs/dbraw/zinc/88/65/03/597886503.db2.gz LEAZBQHXSPCNDZ-JKSUJKDBSA-N 2 2 334.464 1.523 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261495 597886506 /nfs/dbraw/zinc/88/65/06/597886506.db2.gz LEAZBQHXSPCNDZ-JKSUJKDBSA-N 2 2 334.464 1.523 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000880414004 597926485 /nfs/dbraw/zinc/92/64/85/597926485.db2.gz YKEITTZRVUEYQI-KRWDZBQOSA-N 2 2 327.513 1.530 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000883894477 597934190 /nfs/dbraw/zinc/93/41/90/597934190.db2.gz FQEDGZHTQDPULC-RDJZCZTQSA-N 2 2 331.464 1.564 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000883894477 597934192 /nfs/dbraw/zinc/93/41/92/597934192.db2.gz FQEDGZHTQDPULC-RDJZCZTQSA-N 2 2 331.464 1.564 20 0 EDADLP CCCCNC(=O)NC(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568560 597966674 /nfs/dbraw/zinc/96/66/74/597966674.db2.gz CHNZFGAYEDLAGG-MRXNPFEDSA-N 2 2 343.431 1.840 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000882486741 597974044 /nfs/dbraw/zinc/97/40/44/597974044.db2.gz VNVITMMJWCWZHT-WMZOPIPTSA-N 2 2 331.460 1.395 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000882486741 597974045 /nfs/dbraw/zinc/97/40/45/597974045.db2.gz VNVITMMJWCWZHT-WMZOPIPTSA-N 2 2 331.460 1.395 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C[NH+](C)C)C2)O1 ZINC000882587588 597999025 /nfs/dbraw/zinc/99/90/25/597999025.db2.gz HCWCBFDLOOEULT-QFBILLFUSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C[NH+](C)C)C2)O1 ZINC000882587588 597999027 /nfs/dbraw/zinc/99/90/27/597999027.db2.gz HCWCBFDLOOEULT-QFBILLFUSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000884218492 598032452 /nfs/dbraw/zinc/03/24/52/598032452.db2.gz PFDYOIZDIYCMBE-MOPGFXCFSA-N 2 2 347.503 1.680 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000884316939 598063730 /nfs/dbraw/zinc/06/37/30/598063730.db2.gz HEWATAYEDQDLJP-OAHLLOKOSA-N 2 2 340.427 1.689 20 0 EDADLP C[C@H]1CN(c2cc(N3CCOCC3)nc[nH+]2)CCN1c1cc[nH+]cc1 ZINC000882821700 598070646 /nfs/dbraw/zinc/07/06/46/598070646.db2.gz HUDLDWNZBMKSFS-HNNXBMFYSA-N 2 2 340.431 1.423 20 0 EDADLP C[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CCN1c1cc[nH+]cc1 ZINC000882821700 598070650 /nfs/dbraw/zinc/07/06/50/598070650.db2.gz HUDLDWNZBMKSFS-HNNXBMFYSA-N 2 2 340.431 1.423 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccn2)[C@@H]1C ZINC000994297774 696726435 /nfs/dbraw/zinc/72/64/35/696726435.db2.gz JIGUEGSYNLXGSX-ZBFHGGJFSA-N 2 2 327.432 1.825 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccn2)[C@@H]1C ZINC000994297774 696726437 /nfs/dbraw/zinc/72/64/37/696726437.db2.gz JIGUEGSYNLXGSX-ZBFHGGJFSA-N 2 2 327.432 1.825 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000939856800 699995776 /nfs/dbraw/zinc/99/57/76/699995776.db2.gz QIBVCVDMILPWRJ-DOMZBBRYSA-N 2 2 334.370 1.798 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000939855315 699993464 /nfs/dbraw/zinc/99/34/64/699993464.db2.gz DJOHCYDDUFECRP-WBMJQRKESA-N 2 2 340.387 1.056 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993610468 696257336 /nfs/dbraw/zinc/25/73/36/696257336.db2.gz FSNBXCDMCCITSQ-CZUORRHYSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CCC[N@H+]1CC(=O)N(C)C ZINC000993610468 696257337 /nfs/dbraw/zinc/25/73/37/696257337.db2.gz FSNBXCDMCCITSQ-CZUORRHYSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993807381 696382661 /nfs/dbraw/zinc/38/26/61/696382661.db2.gz SFAGEWLIVKOERL-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993807381 696382663 /nfs/dbraw/zinc/38/26/63/696382663.db2.gz SFAGEWLIVKOERL-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cnn(C)c1 ZINC000993807381 696382665 /nfs/dbraw/zinc/38/26/65/696382665.db2.gz SFAGEWLIVKOERL-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cnn(C)c1 ZINC000993807381 696382666 /nfs/dbraw/zinc/38/26/66/696382666.db2.gz SFAGEWLIVKOERL-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)sc1C ZINC001015705471 696596381 /nfs/dbraw/zinc/59/63/81/696596381.db2.gz LXEXMXFZOLYFSB-DOMZBBRYSA-N 2 2 336.505 1.792 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)sc1C ZINC001015705471 696596384 /nfs/dbraw/zinc/59/63/84/696596384.db2.gz LXEXMXFZOLYFSB-DOMZBBRYSA-N 2 2 336.505 1.792 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)sc1C ZINC001015705471 696596387 /nfs/dbraw/zinc/59/63/87/696596387.db2.gz LXEXMXFZOLYFSB-DOMZBBRYSA-N 2 2 336.505 1.792 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)sc1C ZINC001015705471 696596389 /nfs/dbraw/zinc/59/63/89/696596389.db2.gz LXEXMXFZOLYFSB-DOMZBBRYSA-N 2 2 336.505 1.792 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994429577 696849458 /nfs/dbraw/zinc/84/94/58/696849458.db2.gz ZAYIUHPBTWMBEU-RHSMWYFYSA-N 2 2 344.463 1.403 20 0 EDADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994462118 696896361 /nfs/dbraw/zinc/89/63/61/696896361.db2.gz KJLXGNLMCCOTDE-RHSMWYFYSA-N 2 2 346.475 1.077 20 0 EDADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994462118 696896362 /nfs/dbraw/zinc/89/63/62/696896362.db2.gz KJLXGNLMCCOTDE-RHSMWYFYSA-N 2 2 346.475 1.077 20 0 EDADLP COc1cccc(CCC[NH+]2CC(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001031390644 697014959 /nfs/dbraw/zinc/01/49/59/697014959.db2.gz RRDXZXJGOIIIJL-UHFFFAOYSA-N 2 2 331.460 1.524 20 0 EDADLP CCC[C@@H](O)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000918906017 697222374 /nfs/dbraw/zinc/22/23/74/697222374.db2.gz KQCIABARYVZMII-GOEBONIOSA-N 2 2 326.485 1.005 20 0 EDADLP CCC[C@@H](O)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000918906017 697222375 /nfs/dbraw/zinc/22/23/75/697222375.db2.gz KQCIABARYVZMII-GOEBONIOSA-N 2 2 326.485 1.005 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031578411 697272990 /nfs/dbraw/zinc/27/29/90/697272990.db2.gz XPSOSGVRVWCXOF-OAHLLOKOSA-N 2 2 328.416 1.470 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031578411 697272991 /nfs/dbraw/zinc/27/29/91/697272991.db2.gz XPSOSGVRVWCXOF-OAHLLOKOSA-N 2 2 328.416 1.470 20 0 EDADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930072097 697273441 /nfs/dbraw/zinc/27/34/41/697273441.db2.gz PFZHJHAVWDSQHT-MRXNPFEDSA-N 2 2 346.393 1.955 20 0 EDADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H](O)CO)CC1 ZINC000930072097 697273442 /nfs/dbraw/zinc/27/34/42/697273442.db2.gz PFZHJHAVWDSQHT-MRXNPFEDSA-N 2 2 346.393 1.955 20 0 EDADLP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC001031667018 697447926 /nfs/dbraw/zinc/44/79/26/697447926.db2.gz VPTJVONLSNDKJU-KRWDZBQOSA-N 2 2 346.475 1.511 20 0 EDADLP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001031667018 697447927 /nfs/dbraw/zinc/44/79/27/697447927.db2.gz VPTJVONLSNDKJU-KRWDZBQOSA-N 2 2 346.475 1.511 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001031675601 697485066 /nfs/dbraw/zinc/48/50/66/697485066.db2.gz OEQJEVWQMVAUGI-CZUORRHYSA-N 2 2 332.448 1.434 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)nc2)C1 ZINC001031711000 697715665 /nfs/dbraw/zinc/71/56/65/697715665.db2.gz BMFXVIIXBGJEJJ-QGZVFWFLSA-N 2 2 346.475 1.513 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)nc2)C1 ZINC001031711000 697715666 /nfs/dbraw/zinc/71/56/66/697715666.db2.gz BMFXVIIXBGJEJJ-QGZVFWFLSA-N 2 2 346.475 1.513 20 0 EDADLP Cc1cncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)c1 ZINC000943174122 697865620 /nfs/dbraw/zinc/86/56/20/697865620.db2.gz BPPIHFVBNNRKPC-RHSMWYFYSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1cncc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)c1 ZINC000943174122 697865624 /nfs/dbraw/zinc/86/56/24/697865624.db2.gz BPPIHFVBNNRKPC-RHSMWYFYSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001031730363 698069043 /nfs/dbraw/zinc/06/90/43/698069043.db2.gz LYKUYDDEOZBJSQ-MRXNPFEDSA-N 2 2 343.431 1.614 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943332309 698148515 /nfs/dbraw/zinc/14/85/15/698148515.db2.gz BNXPIFBTFPIDKA-BBRMVZONSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943332309 698148517 /nfs/dbraw/zinc/14/85/17/698148517.db2.gz BNXPIFBTFPIDKA-BBRMVZONSA-N 2 2 335.452 1.128 20 0 EDADLP CC(C)C[NH+]1CC(N2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)C1 ZINC000941484792 701554872 /nfs/dbraw/zinc/55/48/72/701554872.db2.gz HJSCQHMJWGAJPD-UHFFFAOYSA-N 2 2 341.459 1.432 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995154103 701555845 /nfs/dbraw/zinc/55/58/45/701555845.db2.gz RJZKTVUCMDSKNZ-WCQYABFASA-N 2 2 326.391 1.872 20 0 EDADLP Cc1cncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000995154814 701556780 /nfs/dbraw/zinc/55/67/80/701556780.db2.gz TYPSMSDKCDACOY-ZBFHGGJFSA-N 2 2 327.432 1.730 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939055383 699116143 /nfs/dbraw/zinc/11/61/43/699116143.db2.gz XVCLGGMMIRRXNT-HIFRSBDPSA-N 2 2 349.479 1.471 20 0 EDADLP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001031774268 699145229 /nfs/dbraw/zinc/14/52/29/699145229.db2.gz VCVVFLNSRKDIDZ-INIZCTEOSA-N 2 2 332.448 1.123 20 0 EDADLP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001031774268 699145230 /nfs/dbraw/zinc/14/52/30/699145230.db2.gz VCVVFLNSRKDIDZ-INIZCTEOSA-N 2 2 332.448 1.123 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCn2cc(Cl)cn2)C1 ZINC001031776339 699153922 /nfs/dbraw/zinc/15/39/22/699153922.db2.gz IGUUNXJMEIGNLH-OAHLLOKOSA-N 2 2 339.871 1.069 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCn2cc(Cl)cn2)C1 ZINC001031776339 699153925 /nfs/dbraw/zinc/15/39/25/699153925.db2.gz IGUUNXJMEIGNLH-OAHLLOKOSA-N 2 2 339.871 1.069 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031784916 699220216 /nfs/dbraw/zinc/22/02/16/699220216.db2.gz ZESHTGAWZLGKNU-RDJZCZTQSA-N 2 2 346.475 1.310 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1C[NH+](CC[C@@H]3CCOC3)C1)C2 ZINC001031787478 699243910 /nfs/dbraw/zinc/24/39/10/699243910.db2.gz CZSSUXSQGLBGEE-ZBFHGGJFSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1C[NH+](CC[C@@H]3CCOC3)C1)CC2 ZINC001031787478 699243912 /nfs/dbraw/zinc/24/39/12/699243912.db2.gz CZSSUXSQGLBGEE-ZBFHGGJFSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C)co1 ZINC000939236837 699406083 /nfs/dbraw/zinc/40/60/83/699406083.db2.gz SBAQOCUTMXUDMF-XJKSGUPXSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163127 701594850 /nfs/dbraw/zinc/59/48/50/701594850.db2.gz AQAFBZSOXAFGNS-WBVHZDCISA-N 2 2 341.459 1.741 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)ncn1 ZINC001031817481 699532293 /nfs/dbraw/zinc/53/22/93/699532293.db2.gz IACKVPJIBNJEGX-UHFFFAOYSA-N 2 2 336.399 1.295 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939411408 699565038 /nfs/dbraw/zinc/56/50/38/699565038.db2.gz DBLDJLKAPMOHCN-CZUORRHYSA-N 2 2 328.416 1.081 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)o1 ZINC000939535304 699676606 /nfs/dbraw/zinc/67/66/06/699676606.db2.gz PGWCHCQZIGTVBE-WFASDCNBSA-N 2 2 345.447 1.458 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939535881 699676777 /nfs/dbraw/zinc/67/67/77/699676777.db2.gz SIEDZVBVHKXGEM-BXUZGUMPSA-N 2 2 326.391 1.444 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C)o1 ZINC000939550484 699699453 /nfs/dbraw/zinc/69/94/53/699699453.db2.gz LAYMLQYKQKBQEF-FZMZJTMJSA-N 2 2 344.419 1.089 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)n1 ZINC000939626591 699763956 /nfs/dbraw/zinc/76/39/56/699763956.db2.gz LCXQUMXQBZVBIP-SJCJKPOMSA-N 2 2 344.463 1.211 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939643188 699783449 /nfs/dbraw/zinc/78/34/49/699783449.db2.gz PWMHDUVJMHTBST-SWLSCSKDSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)o1 ZINC000939643169 699783573 /nfs/dbraw/zinc/78/35/73/699783573.db2.gz PLYKOWSOJJWWPZ-WBMJQRKESA-N 2 2 345.447 1.594 20 0 EDADLP O=C(NCC1C[NH+](CCC2CCOCC2)C1)c1cccc2[nH+]ccn21 ZINC001031843884 699869703 /nfs/dbraw/zinc/86/97/03/699869703.db2.gz PORXLNKKTZGYCZ-UHFFFAOYSA-N 2 2 342.443 1.813 20 0 EDADLP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144104 700273100 /nfs/dbraw/zinc/27/31/00/700273100.db2.gz CSEKFAZPQIFHHH-UHFFFAOYSA-N 2 2 330.436 1.247 20 0 EDADLP COc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)on1 ZINC000940145012 700275345 /nfs/dbraw/zinc/27/53/45/700275345.db2.gz RGBAOHQBCCFVPM-UHFFFAOYSA-N 2 2 347.419 1.510 20 0 EDADLP CC1([NH2+]Cc2cnns2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000940159185 700291453 /nfs/dbraw/zinc/29/14/53/700291453.db2.gz FMZIGUYVZVIETR-CHWSQXEVSA-N 2 2 346.460 1.536 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031876020 700396383 /nfs/dbraw/zinc/39/63/83/700396383.db2.gz ILXNMYIWIFUQMS-QAPCUYQASA-N 2 2 337.508 1.581 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031876020 700396386 /nfs/dbraw/zinc/39/63/86/700396386.db2.gz ILXNMYIWIFUQMS-QAPCUYQASA-N 2 2 337.508 1.581 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1)n1cc[nH+]c1 ZINC000940358077 700539717 /nfs/dbraw/zinc/53/97/17/700539717.db2.gz OECDSTOIUSBGMF-HNNXBMFYSA-N 2 2 344.463 1.739 20 0 EDADLP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968331 701665516 /nfs/dbraw/zinc/66/55/16/701665516.db2.gz VMTRQCXWJCUCBX-OAHLLOKOSA-N 2 2 332.448 1.304 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625085 700786771 /nfs/dbraw/zinc/78/67/71/700786771.db2.gz OMFKLBPPNFMRCC-HOTGVXAUSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625085 700786773 /nfs/dbraw/zinc/78/67/73/700786773.db2.gz OMFKLBPPNFMRCC-HOTGVXAUSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625085 700786774 /nfs/dbraw/zinc/78/67/74/700786774.db2.gz OMFKLBPPNFMRCC-HOTGVXAUSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625085 700786776 /nfs/dbraw/zinc/78/67/76/700786776.db2.gz OMFKLBPPNFMRCC-HOTGVXAUSA-N 2 2 348.495 1.109 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)CC1 ZINC000941003368 701035288 /nfs/dbraw/zinc/03/52/88/701035288.db2.gz WNSSZBUOZJTFPU-INIZCTEOSA-N 2 2 345.491 1.535 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)CC1 ZINC000941003368 701035289 /nfs/dbraw/zinc/03/52/89/701035289.db2.gz WNSSZBUOZJTFPU-INIZCTEOSA-N 2 2 345.491 1.535 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCF)CC1(C)C)C2 ZINC000941031897 701073381 /nfs/dbraw/zinc/07/33/81/701073381.db2.gz CUOBZWBGWDCKJX-GOEBONIOSA-N 2 2 336.455 1.940 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCF)CC1(C)C)C2 ZINC000941031897 701073383 /nfs/dbraw/zinc/07/33/83/701073383.db2.gz CUOBZWBGWDCKJX-GOEBONIOSA-N 2 2 336.455 1.940 20 0 EDADLP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)cn1 ZINC000941060207 701106573 /nfs/dbraw/zinc/10/65/73/701106573.db2.gz COGHDOZHSSYTDZ-MRXNPFEDSA-N 2 2 344.463 1.145 20 0 EDADLP Cn1cc(CC[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)cn1 ZINC000941060207 701106575 /nfs/dbraw/zinc/10/65/75/701106575.db2.gz COGHDOZHSSYTDZ-MRXNPFEDSA-N 2 2 344.463 1.145 20 0 EDADLP Cc1csc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995118836 701116184 /nfs/dbraw/zinc/11/61/84/701116184.db2.gz UOPVGCJLXPTZKB-STQMWFEESA-N 2 2 333.461 1.792 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031925429 701144015 /nfs/dbraw/zinc/14/40/15/701144015.db2.gz INUYLINDAQPCDF-FZMZJTMJSA-N 2 2 337.493 1.125 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031925429 701144017 /nfs/dbraw/zinc/14/40/17/701144017.db2.gz INUYLINDAQPCDF-FZMZJTMJSA-N 2 2 337.493 1.125 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)C2)on1 ZINC000941167101 701378169 /nfs/dbraw/zinc/37/81/69/701378169.db2.gz RBKSJIGKOISIJL-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)C2)on1 ZINC000941167101 701378170 /nfs/dbraw/zinc/37/81/70/701378170.db2.gz RBKSJIGKOISIJL-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](Cc2ccccn2)C1 ZINC001031931109 701378691 /nfs/dbraw/zinc/37/86/91/701378691.db2.gz FDFNSXHNDUJGDD-UHFFFAOYSA-N 2 2 328.416 1.598 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000941167731 701378705 /nfs/dbraw/zinc/37/87/05/701378705.db2.gz ZSFCNXQSHPIIJD-KRWDZBQOSA-N 2 2 348.491 1.606 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000941167731 701378707 /nfs/dbraw/zinc/37/87/07/701378707.db2.gz ZSFCNXQSHPIIJD-KRWDZBQOSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031931317 701379236 /nfs/dbraw/zinc/37/92/36/701379236.db2.gz IHJSIYBQLPNFTD-OAHLLOKOSA-N 2 2 343.431 1.299 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](CCC(F)(F)F)C1 ZINC001031932160 701383523 /nfs/dbraw/zinc/38/35/23/701383523.db2.gz WADAVMDSXVBICX-UHFFFAOYSA-N 2 2 333.354 1.955 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941215461 701401844 /nfs/dbraw/zinc/40/18/44/701401844.db2.gz TUJREHWUWBGPGE-ZFWWWQNUSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941215461 701401845 /nfs/dbraw/zinc/40/18/45/701401845.db2.gz TUJREHWUWBGPGE-ZFWWWQNUSA-N 2 2 349.479 1.752 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)c(F)c2)C1)C12CC[NH+](CC1)C2 ZINC001032130311 701840542 /nfs/dbraw/zinc/84/05/42/701840542.db2.gz KMXLZWWCHCIDFG-UHFFFAOYSA-N 2 2 335.398 1.609 20 0 EDADLP Cc1ncccc1C[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032132253 701864084 /nfs/dbraw/zinc/86/40/84/701864084.db2.gz PSRBZIAIOXXWKD-UHFFFAOYSA-N 2 2 339.443 1.713 20 0 EDADLP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031977653 702029233 /nfs/dbraw/zinc/02/92/33/702029233.db2.gz FLMYKEOKHLCWMT-HNNXBMFYSA-N 2 2 343.431 1.299 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995888069 702226888 /nfs/dbraw/zinc/22/68/88/702226888.db2.gz RHXVBFACQCQXKL-GXTWGEPZSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995916089 702276286 /nfs/dbraw/zinc/27/62/86/702276286.db2.gz IHXIIURTJCMVAM-CQSZACIVSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995916089 702276291 /nfs/dbraw/zinc/27/62/91/702276291.db2.gz IHXIIURTJCMVAM-CQSZACIVSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2nc(C)c(C)o2)C(C)(C)C1 ZINC000996044080 702437754 /nfs/dbraw/zinc/43/77/54/702437754.db2.gz RNWDHUBSJRPKRR-OAHLLOKOSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996293048 702685428 /nfs/dbraw/zinc/68/54/28/702685428.db2.gz AUQGCWWGPSRAAX-OCCSQVGLSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996293048 702685430 /nfs/dbraw/zinc/68/54/30/702685430.db2.gz AUQGCWWGPSRAAX-OCCSQVGLSA-N 2 2 335.452 1.046 20 0 EDADLP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1)[NH+](C)C ZINC000996312926 702701350 /nfs/dbraw/zinc/70/13/50/702701350.db2.gz BQKFZUPKIBTMSN-RYUDHWBXSA-N 2 2 325.482 1.205 20 0 EDADLP CCc1nocc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996353921 702731769 /nfs/dbraw/zinc/73/17/69/702731769.db2.gz FMDKRJOXHXRCTD-HNNXBMFYSA-N 2 2 331.420 1.529 20 0 EDADLP C[C@@H](CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1)n1cc[nH+]c1 ZINC000996359732 702735443 /nfs/dbraw/zinc/73/54/43/702735443.db2.gz FHPUXYBUSVZYNL-GOEBONIOSA-N 2 2 344.463 1.595 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996560710 702878966 /nfs/dbraw/zinc/87/89/66/702878966.db2.gz FGHJRUSQYAIGTF-MRXNPFEDSA-N 2 2 327.432 1.682 20 0 EDADLP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000996611167 702916399 /nfs/dbraw/zinc/91/63/99/702916399.db2.gz KXVOIUKVHLUOPK-CQSZACIVSA-N 2 2 347.463 1.369 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)nn1C ZINC000996625313 702928954 /nfs/dbraw/zinc/92/89/54/702928954.db2.gz RCVTUJGCMMPLKL-INIZCTEOSA-N 2 2 344.463 1.260 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)c1cnccn1 ZINC000996652030 702941575 /nfs/dbraw/zinc/94/15/75/702941575.db2.gz SMDUWPCLQOPFIK-CYBMUJFWSA-N 2 2 328.420 1.474 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)c1cnccn1 ZINC000996652030 702941577 /nfs/dbraw/zinc/94/15/77/702941577.db2.gz SMDUWPCLQOPFIK-CYBMUJFWSA-N 2 2 328.420 1.474 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)o1 ZINC000996674141 702969391 /nfs/dbraw/zinc/96/93/91/702969391.db2.gz AFAITNNWMYGDQE-CQSZACIVSA-N 2 2 344.419 1.233 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996728922 703023816 /nfs/dbraw/zinc/02/38/16/703023816.db2.gz MJNKUDFWPITCPG-UHFFFAOYSA-N 2 2 326.360 1.340 20 0 EDADLP C[C@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556352 703070909 /nfs/dbraw/zinc/07/09/09/703070909.db2.gz ZRGBDNLEMZGSMN-HOTGVXAUSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556352 703070911 /nfs/dbraw/zinc/07/09/11/703070911.db2.gz ZRGBDNLEMZGSMN-HOTGVXAUSA-N 2 2 347.507 1.621 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996820443 703107736 /nfs/dbraw/zinc/10/77/36/703107736.db2.gz KFIYUCAAHWPYJA-OLZOCXBDSA-N 2 2 344.381 1.979 20 0 EDADLP CC[C@H]([NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1)C(N)=O ZINC000996824195 703114313 /nfs/dbraw/zinc/11/43/13/703114313.db2.gz AETWOTKSSYKCNH-HNNXBMFYSA-N 2 2 332.448 1.465 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042957 703210844 /nfs/dbraw/zinc/21/08/44/703210844.db2.gz PSUQHSVKDUXVNH-SJLPKXTDSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042957 703210846 /nfs/dbraw/zinc/21/08/46/703210846.db2.gz PSUQHSVKDUXVNH-SJLPKXTDSA-N 2 2 343.475 1.350 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000997037150 703288629 /nfs/dbraw/zinc/28/86/29/703288629.db2.gz UROPOPMYEXQMFH-QGZVFWFLSA-N 2 2 346.406 1.406 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000997041439 703291899 /nfs/dbraw/zinc/29/18/99/703291899.db2.gz KDIRMWAEZTVUAH-UHFFFAOYSA-N 2 2 333.823 1.781 20 0 EDADLP C[C@H]1C[N@H+](Cc2nccn2C)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821175 703329857 /nfs/dbraw/zinc/32/98/57/703329857.db2.gz CTINHPLATXIQIY-HOTGVXAUSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nccn2C)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821175 703329860 /nfs/dbraw/zinc/32/98/60/703329860.db2.gz CTINHPLATXIQIY-HOTGVXAUSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1C[NH+](Cc2nccn2C)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821175 703329863 /nfs/dbraw/zinc/32/98/63/703329863.db2.gz CTINHPLATXIQIY-HOTGVXAUSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1C[NH+](Cc2nccn2C)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821175 703329866 /nfs/dbraw/zinc/32/98/66/703329866.db2.gz CTINHPLATXIQIY-HOTGVXAUSA-N 2 2 347.507 1.479 20 0 EDADLP CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408697 703436227 /nfs/dbraw/zinc/43/62/27/703436227.db2.gz CPQLAMLMKLIOGJ-KKUMJFAQSA-N 2 2 337.443 1.092 20 0 EDADLP CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408697 703436229 /nfs/dbraw/zinc/43/62/29/703436229.db2.gz CPQLAMLMKLIOGJ-KKUMJFAQSA-N 2 2 337.443 1.092 20 0 EDADLP COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)ccn1 ZINC001032410426 703440304 /nfs/dbraw/zinc/44/03/04/703440304.db2.gz BZQVPOYUJKBHDM-BSWAZPDLSA-N 2 2 344.459 1.216 20 0 EDADLP COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)ccn1 ZINC001032410426 703440306 /nfs/dbraw/zinc/44/03/06/703440306.db2.gz BZQVPOYUJKBHDM-BSWAZPDLSA-N 2 2 344.459 1.216 20 0 EDADLP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccn1 ZINC001032410426 703440308 /nfs/dbraw/zinc/44/03/08/703440308.db2.gz BZQVPOYUJKBHDM-BSWAZPDLSA-N 2 2 344.459 1.216 20 0 EDADLP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccn1 ZINC001032410426 703440311 /nfs/dbraw/zinc/44/03/11/703440311.db2.gz BZQVPOYUJKBHDM-BSWAZPDLSA-N 2 2 344.459 1.216 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000997176693 703461438 /nfs/dbraw/zinc/46/14/38/703461438.db2.gz AHOFEMNLKIVNCL-ZDUSSCGKSA-N 2 2 340.418 1.979 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001032412459 703461955 /nfs/dbraw/zinc/46/19/55/703461955.db2.gz XVHBWEXIBLUEIR-NBOOPKSLSA-N 2 2 346.475 1.752 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001032412459 703461957 /nfs/dbraw/zinc/46/19/57/703461957.db2.gz XVHBWEXIBLUEIR-NBOOPKSLSA-N 2 2 346.475 1.752 20 0 EDADLP CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001032412459 703461958 /nfs/dbraw/zinc/46/19/58/703461958.db2.gz XVHBWEXIBLUEIR-NBOOPKSLSA-N 2 2 346.475 1.752 20 0 EDADLP CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001032412459 703461960 /nfs/dbraw/zinc/46/19/60/703461960.db2.gz XVHBWEXIBLUEIR-NBOOPKSLSA-N 2 2 346.475 1.752 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]CC[C@H]2CCCO2)CC1)c1c[nH+]c[nH]1 ZINC000997181590 703466114 /nfs/dbraw/zinc/46/61/14/703466114.db2.gz AWLPDAQFEKDHLB-OAHLLOKOSA-N 2 2 334.464 1.837 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1)C2 ZINC000997182782 703468019 /nfs/dbraw/zinc/46/80/19/703468019.db2.gz HHPKTSYNHIUSKL-CZUORRHYSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1)CC2 ZINC000997182782 703468020 /nfs/dbraw/zinc/46/80/20/703468020.db2.gz HHPKTSYNHIUSKL-CZUORRHYSA-N 2 2 348.491 1.422 20 0 EDADLP CCn1ncnc1C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997184786 703473293 /nfs/dbraw/zinc/47/32/93/703473293.db2.gz ZORIGAFERKRSKA-UHFFFAOYSA-N 2 2 345.451 1.080 20 0 EDADLP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997221755 703499820 /nfs/dbraw/zinc/49/98/20/703499820.db2.gz OATAZAQGUKWPDH-UHFFFAOYSA-N 2 2 345.447 1.900 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)o1 ZINC000997237873 703524639 /nfs/dbraw/zinc/52/46/39/703524639.db2.gz QRQAEEAXBTYDQC-LBPRGKRZSA-N 2 2 346.435 1.386 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCCO1 ZINC001032437450 703605703 /nfs/dbraw/zinc/60/57/03/703605703.db2.gz FHAUIUIZEMDRDN-ULQDDVLXSA-N 2 2 332.448 1.587 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCCO1 ZINC001032437450 703605705 /nfs/dbraw/zinc/60/57/05/703605705.db2.gz FHAUIUIZEMDRDN-ULQDDVLXSA-N 2 2 332.448 1.587 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032433883 703612344 /nfs/dbraw/zinc/61/23/44/703612344.db2.gz UGKHDIJQSGTBFZ-YQQAZPJKSA-N 2 2 348.516 1.845 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032433883 703612346 /nfs/dbraw/zinc/61/23/46/703612346.db2.gz UGKHDIJQSGTBFZ-YQQAZPJKSA-N 2 2 348.516 1.845 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1 ZINC001032433883 703612348 /nfs/dbraw/zinc/61/23/48/703612348.db2.gz UGKHDIJQSGTBFZ-YQQAZPJKSA-N 2 2 348.516 1.845 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1 ZINC001032433883 703612349 /nfs/dbraw/zinc/61/23/49/703612349.db2.gz UGKHDIJQSGTBFZ-YQQAZPJKSA-N 2 2 348.516 1.845 20 0 EDADLP Cc1nc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)cs1 ZINC001032443232 703619486 /nfs/dbraw/zinc/61/94/86/703619486.db2.gz OPOJPTLJNKUQFQ-HOTGVXAUSA-N 2 2 348.516 1.763 20 0 EDADLP Cc1nc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)cs1 ZINC001032443232 703619487 /nfs/dbraw/zinc/61/94/87/703619487.db2.gz OPOJPTLJNKUQFQ-HOTGVXAUSA-N 2 2 348.516 1.763 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032444608 703621876 /nfs/dbraw/zinc/62/18/76/703621876.db2.gz GDNIPSAESRIOAS-ZOBUZTSGSA-N 2 2 348.516 1.885 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032444608 703621877 /nfs/dbraw/zinc/62/18/77/703621877.db2.gz GDNIPSAESRIOAS-ZOBUZTSGSA-N 2 2 348.516 1.885 20 0 EDADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995551713 703958133 /nfs/dbraw/zinc/95/81/33/703958133.db2.gz OAQCGDWDWKBBGZ-HUUCEWRRSA-N 2 2 331.464 1.206 20 0 EDADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995551713 703958135 /nfs/dbraw/zinc/95/81/35/703958135.db2.gz OAQCGDWDWKBBGZ-HUUCEWRRSA-N 2 2 331.464 1.206 20 0 EDADLP Cc1csc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033093882 704171166 /nfs/dbraw/zinc/17/11/66/704171166.db2.gz FGYKNIMFZQBYQX-QLFBSQMISA-N 2 2 336.505 1.824 20 0 EDADLP Cc1csc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033093882 704171167 /nfs/dbraw/zinc/17/11/67/704171167.db2.gz FGYKNIMFZQBYQX-QLFBSQMISA-N 2 2 336.505 1.824 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033093882 704171169 /nfs/dbraw/zinc/17/11/69/704171169.db2.gz FGYKNIMFZQBYQX-QLFBSQMISA-N 2 2 336.505 1.824 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033093882 704171170 /nfs/dbraw/zinc/17/11/70/704171170.db2.gz FGYKNIMFZQBYQX-QLFBSQMISA-N 2 2 336.505 1.824 20 0 EDADLP Cc1ncoc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001032711141 706803578 /nfs/dbraw/zinc/80/35/78/706803578.db2.gz JWVDXKHRTPPGCM-IRXDYDNUSA-N 2 2 346.475 1.889 20 0 EDADLP Cc1ncoc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001032711141 706803579 /nfs/dbraw/zinc/80/35/79/706803579.db2.gz JWVDXKHRTPPGCM-IRXDYDNUSA-N 2 2 346.475 1.889 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000999303051 706806693 /nfs/dbraw/zinc/80/66/93/706806693.db2.gz HJJMTTUZQDFQLZ-JKSUJKDBSA-N 2 2 334.464 1.938 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000999303051 706806694 /nfs/dbraw/zinc/80/66/94/706806694.db2.gz HJJMTTUZQDFQLZ-JKSUJKDBSA-N 2 2 334.464 1.938 20 0 EDADLP CC(C)n1ncnc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944946247 704799322 /nfs/dbraw/zinc/79/93/22/704799322.db2.gz WCVPEEROGZUJIQ-CVEARBPZSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1ncnc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944946247 704799324 /nfs/dbraw/zinc/79/93/24/704799324.db2.gz WCVPEEROGZUJIQ-CVEARBPZSA-N 2 2 348.495 1.281 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnn(C)c2)C1 ZINC001032582399 705019706 /nfs/dbraw/zinc/01/97/06/705019706.db2.gz WYCTVWDVABOBCK-BZSNNMDCSA-N 2 2 345.491 1.327 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnn(C)c2)C1 ZINC001032582399 705019712 /nfs/dbraw/zinc/01/97/12/705019712.db2.gz WYCTVWDVABOBCK-BZSNNMDCSA-N 2 2 345.491 1.327 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnn(C)c2)C1 ZINC001032582399 705019717 /nfs/dbraw/zinc/01/97/17/705019717.db2.gz WYCTVWDVABOBCK-BZSNNMDCSA-N 2 2 345.491 1.327 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnn(C)c2)C1 ZINC001032582399 705019723 /nfs/dbraw/zinc/01/97/23/705019723.db2.gz WYCTVWDVABOBCK-BZSNNMDCSA-N 2 2 345.491 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2cnn(C)n2)CC1 ZINC000997951668 705070845 /nfs/dbraw/zinc/07/08/45/705070845.db2.gz YTINSDZNNNUOBI-IRXDYDNUSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2cnn(C)n2)CC1 ZINC000997951668 705070849 /nfs/dbraw/zinc/07/08/49/705070849.db2.gz YTINSDZNNNUOBI-IRXDYDNUSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2cnn(C)n2)CC1 ZINC000997951668 705070855 /nfs/dbraw/zinc/07/08/55/705070855.db2.gz YTINSDZNNNUOBI-IRXDYDNUSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000998048503 705246233 /nfs/dbraw/zinc/24/62/33/705246233.db2.gz WASYGKNAVFQMHJ-AWEZNQCLSA-N 2 2 343.431 1.365 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998048503 705246235 /nfs/dbraw/zinc/24/62/35/705246235.db2.gz WASYGKNAVFQMHJ-AWEZNQCLSA-N 2 2 343.431 1.365 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+][C@@H](C)c2csnn2)CC1 ZINC000998243725 705583368 /nfs/dbraw/zinc/58/33/68/705583368.db2.gz HRDTYJLGBCIEDX-LBPRGKRZSA-N 2 2 348.476 1.702 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998243251 705586638 /nfs/dbraw/zinc/58/66/38/705586638.db2.gz FPYZDPKUAJHMPM-UHFFFAOYSA-N 2 2 330.436 1.023 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000998268649 705645055 /nfs/dbraw/zinc/64/50/55/705645055.db2.gz HUFGZXUTSUBQPG-UHFFFAOYSA-N 2 2 334.449 1.071 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1)c1cnccn1 ZINC000998296261 705697996 /nfs/dbraw/zinc/69/79/96/705697996.db2.gz BKCFIJBPPMVCJA-CQSZACIVSA-N 2 2 328.420 1.263 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000998718001 706149574 /nfs/dbraw/zinc/14/95/74/706149574.db2.gz AETHSNYZRCHQDL-UONOGXRCSA-N 2 2 335.452 1.368 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC000998718001 706149577 /nfs/dbraw/zinc/14/95/77/706149577.db2.gz AETHSNYZRCHQDL-UONOGXRCSA-N 2 2 335.452 1.368 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2nncs2)C1 ZINC000998901587 706338129 /nfs/dbraw/zinc/33/81/29/706338129.db2.gz OMPLPZBWZQNJIN-BPCQOVAHSA-N 2 2 346.460 1.391 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]Cc2ccon2)C1 ZINC000998986669 706418533 /nfs/dbraw/zinc/41/85/33/706418533.db2.gz APOGVMBUFNGLRS-UHFFFAOYSA-N 2 2 325.372 1.944 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)s1 ZINC000999038057 706453749 /nfs/dbraw/zinc/45/37/49/706453749.db2.gz DADNQQYECFDBLM-ZDUSSCGKSA-N 2 2 333.461 1.888 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999142917 706556044 /nfs/dbraw/zinc/55/60/44/706556044.db2.gz DELXENPXYHAQES-LSDHHAIUSA-N 2 2 349.479 1.585 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999142917 706556047 /nfs/dbraw/zinc/55/60/47/706556047.db2.gz DELXENPXYHAQES-LSDHHAIUSA-N 2 2 349.479 1.585 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)C1CC([NH2+]Cc3ccon3)C1)CC2 ZINC000999317607 706825633 /nfs/dbraw/zinc/82/56/33/706825633.db2.gz JGNCVGMYVNFYPX-KTAKPFMOSA-N 2 2 343.431 1.521 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000999470831 706979722 /nfs/dbraw/zinc/97/97/22/706979722.db2.gz WYMKSBUCLQXXSU-UHFFFAOYSA-N 2 2 333.823 1.780 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999499039 706996881 /nfs/dbraw/zinc/99/68/81/706996881.db2.gz YQZZLYMCMLUUQD-NVXWUHKLSA-N 2 2 347.459 1.640 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000999499037 706997113 /nfs/dbraw/zinc/99/71/13/706997113.db2.gz YQZZLYMCMLUUQD-DOTOQJQBSA-N 2 2 347.459 1.640 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nn(C)cc2Cl)C1)[NH+](C)C ZINC000999491473 707028206 /nfs/dbraw/zinc/02/82/06/707028206.db2.gz VFURUAQWALGDMI-SWLSCSKDSA-N 2 2 341.887 1.494 20 0 EDADLP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999536283 707037207 /nfs/dbraw/zinc/03/72/07/707037207.db2.gz NFJHYGRTXXGBQY-ZBFHGGJFSA-N 2 2 343.431 1.523 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946704104 707169852 /nfs/dbraw/zinc/16/98/52/707169852.db2.gz PDQLXMQKOJBQEJ-YESZJQIVSA-N 2 2 334.464 1.479 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000946704104 707169856 /nfs/dbraw/zinc/16/98/56/707169856.db2.gz PDQLXMQKOJBQEJ-YESZJQIVSA-N 2 2 334.464 1.479 20 0 EDADLP C[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1)c1ncccn1 ZINC000999689865 707245719 /nfs/dbraw/zinc/24/57/19/707245719.db2.gz SISFFUJGNCZYJV-IYXRBSQSSA-N 2 2 328.420 1.093 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000999690043 707246389 /nfs/dbraw/zinc/24/63/89/707246389.db2.gz USRXYIRZXLNMFM-UHFFFAOYSA-N 2 2 330.407 1.881 20 0 EDADLP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999690300 707246977 /nfs/dbraw/zinc/24/69/77/707246977.db2.gz WPUNUFQQWWTVQA-UHFFFAOYSA-N 2 2 343.431 1.145 20 0 EDADLP CCc1nnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999726739 707268893 /nfs/dbraw/zinc/26/88/93/707268893.db2.gz OXNJUZNNQAECSC-UONOGXRCSA-N 2 2 346.435 1.479 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)s1 ZINC001033266752 707294764 /nfs/dbraw/zinc/29/47/64/707294764.db2.gz RDWKXJRBBMOHBS-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)s1 ZINC001033266752 707294768 /nfs/dbraw/zinc/29/47/68/707294768.db2.gz RDWKXJRBBMOHBS-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC000999745676 707345505 /nfs/dbraw/zinc/34/55/05/707345505.db2.gz ALVSKAIJOXJISO-UHFFFAOYSA-N 2 2 345.451 1.212 20 0 EDADLP CC(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999799767 707370689 /nfs/dbraw/zinc/37/06/89/707370689.db2.gz LQQWAIACMDYUMO-QZTJIDSGSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999799767 707370695 /nfs/dbraw/zinc/37/06/95/707370695.db2.gz LQQWAIACMDYUMO-QZTJIDSGSA-N 2 2 337.508 1.724 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000999799807 707370944 /nfs/dbraw/zinc/37/09/44/707370944.db2.gz LXEQFZVXJGUHIL-ROUUACIJSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000999799807 707370948 /nfs/dbraw/zinc/37/09/48/707370948.db2.gz LXEQFZVXJGUHIL-ROUUACIJSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1ncsc1CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999837720 707409003 /nfs/dbraw/zinc/40/90/03/707409003.db2.gz SAEJFLQNHNOKDH-OAHLLOKOSA-N 2 2 347.488 1.861 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001033196639 707410965 /nfs/dbraw/zinc/41/09/65/707410965.db2.gz DKZOXOKQHRCWSP-WMZOPIPTSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC001033196639 707410967 /nfs/dbraw/zinc/41/09/67/707410967.db2.gz DKZOXOKQHRCWSP-WMZOPIPTSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001033196639 707410969 /nfs/dbraw/zinc/41/09/69/707410969.db2.gz DKZOXOKQHRCWSP-WMZOPIPTSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC001033196639 707410972 /nfs/dbraw/zinc/41/09/72/707410972.db2.gz DKZOXOKQHRCWSP-WMZOPIPTSA-N 2 2 346.475 1.607 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999835420 707469343 /nfs/dbraw/zinc/46/93/43/707469343.db2.gz IYBBZLKHWULKON-ZDUSSCGKSA-N 2 2 334.449 1.214 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033393547 707728673 /nfs/dbraw/zinc/72/86/73/707728673.db2.gz FFUKPEKVZQAENJ-SFHVURJKSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033393547 707728675 /nfs/dbraw/zinc/72/86/75/707728675.db2.gz FFUKPEKVZQAENJ-SFHVURJKSA-N 2 2 347.507 1.839 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)n1 ZINC001032730932 707730307 /nfs/dbraw/zinc/73/03/07/707730307.db2.gz UMYHHQZEPOGAMD-XIRDDKMYSA-N 2 2 344.459 1.217 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)n1 ZINC001032730932 707730313 /nfs/dbraw/zinc/73/03/13/707730313.db2.gz UMYHHQZEPOGAMD-XIRDDKMYSA-N 2 2 344.459 1.217 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001032730932 707730318 /nfs/dbraw/zinc/73/03/18/707730318.db2.gz UMYHHQZEPOGAMD-XIRDDKMYSA-N 2 2 344.459 1.217 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001032730932 707730321 /nfs/dbraw/zinc/73/03/21/707730321.db2.gz UMYHHQZEPOGAMD-XIRDDKMYSA-N 2 2 344.459 1.217 20 0 EDADLP CC[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1)OC ZINC001033220253 707782598 /nfs/dbraw/zinc/78/25/98/707782598.db2.gz MGZMLJYUYXCOBF-KGLIPLIRSA-N 2 2 338.452 1.308 20 0 EDADLP CC[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1)OC ZINC001033220253 707782600 /nfs/dbraw/zinc/78/26/00/707782600.db2.gz MGZMLJYUYXCOBF-KGLIPLIRSA-N 2 2 338.452 1.308 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001004989144 707847432 /nfs/dbraw/zinc/84/74/32/707847432.db2.gz FOIOUKVGXSHHQF-SWLSCSKDSA-N 2 2 345.451 1.177 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cnsn1 ZINC001004991269 707855466 /nfs/dbraw/zinc/85/54/66/707855466.db2.gz KPYLOWBRIKIGKC-IUODEOHRSA-N 2 2 348.476 1.602 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ncccn1 ZINC001004992678 707873193 /nfs/dbraw/zinc/87/31/93/707873193.db2.gz OCVHXUSHBJEOHU-HOCLYGCPSA-N 2 2 342.447 1.541 20 0 EDADLP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005011595 707930261 /nfs/dbraw/zinc/93/02/61/707930261.db2.gz SXJOTUFJDAWJFS-ZBFHGGJFSA-N 2 2 330.436 1.176 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033472737 707961074 /nfs/dbraw/zinc/96/10/74/707961074.db2.gz AZINJAJHLUGOGF-WMZOPIPTSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033472737 707961075 /nfs/dbraw/zinc/96/10/75/707961075.db2.gz AZINJAJHLUGOGF-WMZOPIPTSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033472737 707961079 /nfs/dbraw/zinc/96/10/79/707961079.db2.gz AZINJAJHLUGOGF-WMZOPIPTSA-N 2 2 347.507 1.716 20 0 EDADLP Cc1cnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001000312690 707984390 /nfs/dbraw/zinc/98/43/90/707984390.db2.gz OYHALRSIZFTXFU-KBPBESRZSA-N 2 2 328.420 1.392 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CNc2nc(C)[nH+]c(C)c2C)C1 ZINC001060944062 708005624 /nfs/dbraw/zinc/00/56/24/708005624.db2.gz AIKDNIKOMJOZRI-INIZCTEOSA-N 2 2 342.447 1.867 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOC)o1 ZINC001032812436 708122406 /nfs/dbraw/zinc/12/24/06/708122406.db2.gz DRVWYSZHPWNPQW-GJZGRUSLSA-N 2 2 335.448 1.667 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOC)o1 ZINC001032812436 708122407 /nfs/dbraw/zinc/12/24/07/708122407.db2.gz DRVWYSZHPWNPQW-GJZGRUSLSA-N 2 2 335.448 1.667 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001033586784 708277729 /nfs/dbraw/zinc/27/77/29/708277729.db2.gz BFBOHNVYYKIAAS-CQSZACIVSA-N 2 2 345.447 1.554 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001033586784 708277732 /nfs/dbraw/zinc/27/77/32/708277732.db2.gz BFBOHNVYYKIAAS-CQSZACIVSA-N 2 2 345.447 1.554 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033587474 708279260 /nfs/dbraw/zinc/27/92/60/708279260.db2.gz FVEMWZUMODKVIU-CQSZACIVSA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033587474 708279264 /nfs/dbraw/zinc/27/92/64/708279264.db2.gz FVEMWZUMODKVIU-CQSZACIVSA-N 2 2 334.464 1.789 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3cnns3)CC2)CC1 ZINC001001794944 708309627 /nfs/dbraw/zinc/30/96/27/708309627.db2.gz NKJRTTXYBRDWED-UHFFFAOYSA-N 2 2 337.493 1.208 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccnc2OC)C1 ZINC001033772595 708670688 /nfs/dbraw/zinc/67/06/88/708670688.db2.gz AHDKYSPQTMDUCK-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC001033772595 708670691 /nfs/dbraw/zinc/67/06/91/708670691.db2.gz AHDKYSPQTMDUCK-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001033772595 708670709 /nfs/dbraw/zinc/67/07/09/708670709.db2.gz AHDKYSPQTMDUCK-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001033790080 708700796 /nfs/dbraw/zinc/70/07/96/708700796.db2.gz SWHORBWLVVYPNC-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001033790080 708700798 /nfs/dbraw/zinc/70/07/98/708700798.db2.gz SWHORBWLVVYPNC-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001033790080 708700800 /nfs/dbraw/zinc/70/08/00/708700800.db2.gz SWHORBWLVVYPNC-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001033790080 708700802 /nfs/dbraw/zinc/70/08/02/708700802.db2.gz SWHORBWLVVYPNC-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005382913 708817138 /nfs/dbraw/zinc/81/71/38/708817138.db2.gz DKYWKWHFJMFOPK-QGZVFWFLSA-N 2 2 345.491 1.772 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005382913 708817140 /nfs/dbraw/zinc/81/71/40/708817140.db2.gz DKYWKWHFJMFOPK-QGZVFWFLSA-N 2 2 345.491 1.772 20 0 EDADLP Cc1noc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC001005385105 708825581 /nfs/dbraw/zinc/82/55/81/708825581.db2.gz PASAMXRREHSMFD-INIZCTEOSA-N 2 2 349.479 1.674 20 0 EDADLP Cc1noc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC001005385105 708825583 /nfs/dbraw/zinc/82/55/83/708825583.db2.gz PASAMXRREHSMFD-INIZCTEOSA-N 2 2 349.479 1.674 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC001005411453 708926505 /nfs/dbraw/zinc/92/65/05/708926505.db2.gz BOIRUTYPCORNCZ-GDBMZVCRSA-N 2 2 333.480 1.183 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC001005411453 708926506 /nfs/dbraw/zinc/92/65/06/708926506.db2.gz BOIRUTYPCORNCZ-GDBMZVCRSA-N 2 2 333.480 1.183 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000921941291 709095102 /nfs/dbraw/zinc/09/51/02/709095102.db2.gz DSAPILGRQURTHM-UHFFFAOYSA-N 2 2 342.443 1.486 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001033941910 709149031 /nfs/dbraw/zinc/14/90/31/709149031.db2.gz UVWDBTSEKNZOSJ-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001033941910 709149032 /nfs/dbraw/zinc/14/90/32/709149032.db2.gz UVWDBTSEKNZOSJ-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001034014715 709230262 /nfs/dbraw/zinc/23/02/62/709230262.db2.gz CLBNRJAKBSAVRX-UKRRQHHQSA-N 2 2 347.463 1.458 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001034014715 709230266 /nfs/dbraw/zinc/23/02/66/709230266.db2.gz CLBNRJAKBSAVRX-UKRRQHHQSA-N 2 2 347.463 1.458 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001034017597 709235021 /nfs/dbraw/zinc/23/50/21/709235021.db2.gz SHRXTCOGRLAUPC-JKSUJKDBSA-N 2 2 343.475 1.556 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001034017597 709235023 /nfs/dbraw/zinc/23/50/23/709235023.db2.gz SHRXTCOGRLAUPC-JKSUJKDBSA-N 2 2 343.475 1.556 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC001034041156 709289398 /nfs/dbraw/zinc/28/93/98/709289398.db2.gz BXRNHCKNJCOJPV-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC001034041156 709289400 /nfs/dbraw/zinc/28/94/00/709289400.db2.gz BXRNHCKNJCOJPV-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nc(C)c(C)o2)C1 ZINC001034041156 709289403 /nfs/dbraw/zinc/28/94/03/709289403.db2.gz BXRNHCKNJCOJPV-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nc(C)c(C)o2)C1 ZINC001034041156 709289405 /nfs/dbraw/zinc/28/94/05/709289405.db2.gz BXRNHCKNJCOJPV-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002801527 709415425 /nfs/dbraw/zinc/41/54/25/709415425.db2.gz IVDSDXXCVXQHRR-RDJZCZTQSA-N 2 2 345.491 1.375 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002801527 709415428 /nfs/dbraw/zinc/41/54/28/709415428.db2.gz IVDSDXXCVXQHRR-RDJZCZTQSA-N 2 2 345.491 1.375 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](Cc2cnns2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034211467 709562332 /nfs/dbraw/zinc/56/23/32/709562332.db2.gz MZAWBCULKIOYKV-ZBFHGGJFSA-N 2 2 349.504 1.351 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](Cc2cnns2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034211467 709562333 /nfs/dbraw/zinc/56/23/33/709562333.db2.gz MZAWBCULKIOYKV-ZBFHGGJFSA-N 2 2 349.504 1.351 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@@H+]1C ZINC001034214829 709567693 /nfs/dbraw/zinc/56/76/93/709567693.db2.gz RLOFVZYYESAENU-OWCLPIDISA-N 2 2 331.464 1.288 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@H+]1C ZINC001034214829 709567694 /nfs/dbraw/zinc/56/76/94/709567694.db2.gz RLOFVZYYESAENU-OWCLPIDISA-N 2 2 331.464 1.288 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034214829 709567695 /nfs/dbraw/zinc/56/76/95/709567695.db2.gz RLOFVZYYESAENU-OWCLPIDISA-N 2 2 331.464 1.288 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034214829 709567697 /nfs/dbraw/zinc/56/76/97/709567697.db2.gz RLOFVZYYESAENU-OWCLPIDISA-N 2 2 331.464 1.288 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001002956577 709659644 /nfs/dbraw/zinc/65/96/44/709659644.db2.gz VWXSYGNHOUDWNP-INIZCTEOSA-N 2 2 335.452 1.333 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2nonc2C)CC1 ZINC001002956577 709659647 /nfs/dbraw/zinc/65/96/47/709659647.db2.gz VWXSYGNHOUDWNP-INIZCTEOSA-N 2 2 335.452 1.333 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034269165 709673624 /nfs/dbraw/zinc/67/36/24/709673624.db2.gz AHMOEPMSZSGICW-XJKSGUPXSA-N 2 2 341.415 1.036 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+]([C@@H]2CCNC2=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034269165 709673628 /nfs/dbraw/zinc/67/36/28/709673628.db2.gz AHMOEPMSZSGICW-XJKSGUPXSA-N 2 2 341.415 1.036 20 0 EDADLP C[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271841 709678830 /nfs/dbraw/zinc/67/88/30/709678830.db2.gz QCVVILGNYWECOL-YPMHNXCESA-N 2 2 329.404 1.021 20 0 EDADLP C[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271841 709678832 /nfs/dbraw/zinc/67/88/32/709678832.db2.gz QCVVILGNYWECOL-YPMHNXCESA-N 2 2 329.404 1.021 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccon3)C2)CC[N@@H+]1C ZINC001034365219 709886815 /nfs/dbraw/zinc/88/68/15/709886815.db2.gz YUNLUFLCECUUTD-JYJNAYRXSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccon3)C2)CC[N@H+]1C ZINC001034365219 709886825 /nfs/dbraw/zinc/88/68/25/709886825.db2.gz YUNLUFLCECUUTD-JYJNAYRXSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccon3)C2)CC[NH+]1C ZINC001034365219 709886831 /nfs/dbraw/zinc/88/68/31/709886831.db2.gz YUNLUFLCECUUTD-JYJNAYRXSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccon3)C2)CC[NH+]1C ZINC001034365219 709886837 /nfs/dbraw/zinc/88/68/37/709886837.db2.gz YUNLUFLCECUUTD-JYJNAYRXSA-N 2 2 334.464 1.876 20 0 EDADLP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C12CCC2 ZINC000453206200 709982078 /nfs/dbraw/zinc/98/20/78/709982078.db2.gz GJOZGZBDNKQDEN-QHEDDYRISA-N 2 2 335.492 1.617 20 0 EDADLP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C12CCC2 ZINC000453206200 709982079 /nfs/dbraw/zinc/98/20/79/709982079.db2.gz GJOZGZBDNKQDEN-QHEDDYRISA-N 2 2 335.492 1.617 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001003179539 710095446 /nfs/dbraw/zinc/09/54/46/710095446.db2.gz IIPWFWAPZUSLJT-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001003180812 710097033 /nfs/dbraw/zinc/09/70/33/710097033.db2.gz VXTTWHWKMKBJTN-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC001034490694 710109949 /nfs/dbraw/zinc/10/99/49/710109949.db2.gz MTWJQFKFFJDUMR-DOTOQJQBSA-N 2 2 334.464 1.502 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001034490694 710109950 /nfs/dbraw/zinc/10/99/50/710109950.db2.gz MTWJQFKFFJDUMR-DOTOQJQBSA-N 2 2 334.464 1.502 20 0 EDADLP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1)OC ZINC001003211581 710123154 /nfs/dbraw/zinc/12/31/54/710123154.db2.gz VLICCXCWSGEDQN-GOEBONIOSA-N 2 2 348.491 1.829 20 0 EDADLP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1)OC ZINC001003211581 710123156 /nfs/dbraw/zinc/12/31/56/710123156.db2.gz VLICCXCWSGEDQN-GOEBONIOSA-N 2 2 348.491 1.829 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001003193224 710127949 /nfs/dbraw/zinc/12/79/49/710127949.db2.gz MUQKPJGDKHSCJP-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034486188 710132859 /nfs/dbraw/zinc/13/28/59/710132859.db2.gz YDJKTNVQCVDAQD-QGZVFWFLSA-N 2 2 348.491 1.750 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC001034486188 710132863 /nfs/dbraw/zinc/13/28/63/710132863.db2.gz YDJKTNVQCVDAQD-QGZVFWFLSA-N 2 2 348.491 1.750 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061756755 710155501 /nfs/dbraw/zinc/15/55/01/710155501.db2.gz AQXBIXXLIUYRCM-JKSUJKDBSA-N 2 2 331.464 1.602 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061756755 710155505 /nfs/dbraw/zinc/15/55/05/710155505.db2.gz AQXBIXXLIUYRCM-JKSUJKDBSA-N 2 2 331.464 1.602 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525245 710174510 /nfs/dbraw/zinc/17/45/10/710174510.db2.gz KSZCJRQVGMWYAN-HZPDHXFCSA-N 2 2 346.475 1.974 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525245 710174513 /nfs/dbraw/zinc/17/45/13/710174513.db2.gz KSZCJRQVGMWYAN-HZPDHXFCSA-N 2 2 346.475 1.974 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525245 710174516 /nfs/dbraw/zinc/17/45/16/710174516.db2.gz KSZCJRQVGMWYAN-HZPDHXFCSA-N 2 2 346.475 1.974 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525245 710174517 /nfs/dbraw/zinc/17/45/17/710174517.db2.gz KSZCJRQVGMWYAN-HZPDHXFCSA-N 2 2 346.475 1.974 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c(C)o1 ZINC001034528295 710182337 /nfs/dbraw/zinc/18/23/37/710182337.db2.gz LSLPWWXZKVUDJT-MRXNPFEDSA-N 2 2 334.464 1.858 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c(C)o1 ZINC001034528295 710182340 /nfs/dbraw/zinc/18/23/40/710182340.db2.gz LSLPWWXZKVUDJT-MRXNPFEDSA-N 2 2 334.464 1.858 20 0 EDADLP Cc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034529654 710185336 /nfs/dbraw/zinc/18/53/36/710185336.db2.gz LRRUUBQMJFSCNP-MRXNPFEDSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034529654 710185339 /nfs/dbraw/zinc/18/53/39/710185339.db2.gz LRRUUBQMJFSCNP-MRXNPFEDSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547529 710222082 /nfs/dbraw/zinc/22/20/82/710222082.db2.gz SZTXQNNZJDRZHO-JKSUJKDBSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547529 710222083 /nfs/dbraw/zinc/22/20/83/710222083.db2.gz SZTXQNNZJDRZHO-JKSUJKDBSA-N 2 2 342.447 1.713 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547627 710222226 /nfs/dbraw/zinc/22/22/26/710222226.db2.gz WLXPBALSSAJTGL-CABCVRRESA-N 2 2 328.420 1.405 20 0 EDADLP C[C@H](c1cnccn1)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547627 710222229 /nfs/dbraw/zinc/22/22/29/710222229.db2.gz WLXPBALSSAJTGL-CABCVRRESA-N 2 2 328.420 1.405 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)n1 ZINC001003375758 710293787 /nfs/dbraw/zinc/29/37/87/710293787.db2.gz WNIBCBOCIOPKAN-SFHVURJKSA-N 2 2 345.491 1.375 20 0 EDADLP COC(=O)COc1ccccc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000922213051 710455306 /nfs/dbraw/zinc/45/53/06/710455306.db2.gz XBNLVGBUHDCSQL-UHFFFAOYSA-N 2 2 336.432 1.175 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003631215 710460419 /nfs/dbraw/zinc/46/04/19/710460419.db2.gz ULFMBHMGWDMNHL-OLZOCXBDSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003631215 710460420 /nfs/dbraw/zinc/46/04/20/710460420.db2.gz ULFMBHMGWDMNHL-OLZOCXBDSA-N 2 2 335.452 1.361 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001003632730 710461205 /nfs/dbraw/zinc/46/12/05/710461205.db2.gz BXPVTQVTZACKKU-GUYCJALGSA-N 2 2 346.475 1.830 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001003632730 710461207 /nfs/dbraw/zinc/46/12/07/710461207.db2.gz BXPVTQVTZACKKU-GUYCJALGSA-N 2 2 346.475 1.830 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003654814 710473629 /nfs/dbraw/zinc/47/36/29/710473629.db2.gz YQLSNAFTAGBSCC-HZPDHXFCSA-N 2 2 342.447 1.038 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001003700926 710495218 /nfs/dbraw/zinc/49/52/18/710495218.db2.gz JRJCEULSHAFKCF-KRWDZBQOSA-N 2 2 334.464 1.474 20 0 EDADLP Cn1c[nH+]cc1CC[NH2+]Cc1c(I)cnn1C ZINC000922274343 710570468 /nfs/dbraw/zinc/57/04/68/710570468.db2.gz XEWPUPUYNYLCBP-UHFFFAOYSA-N 2 2 345.188 1.091 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1)C2 ZINC001034679860 710675256 /nfs/dbraw/zinc/67/52/56/710675256.db2.gz WJOPQCIYHPMOTL-ATGSNQNLSA-N 2 2 334.464 1.221 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1)CC2 ZINC001034679860 710675258 /nfs/dbraw/zinc/67/52/58/710675258.db2.gz WJOPQCIYHPMOTL-ATGSNQNLSA-N 2 2 334.464 1.221 20 0 EDADLP COc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034743812 710946011 /nfs/dbraw/zinc/94/60/11/710946011.db2.gz AUXYNOOKBHFXAR-SHTZXODSSA-N 2 2 343.431 1.573 20 0 EDADLP CCn1c(C)nnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744626 710960294 /nfs/dbraw/zinc/96/02/94/710960294.db2.gz ZOPGPIFLHKITTR-HDJSIYSDSA-N 2 2 345.451 1.089 20 0 EDADLP CC(C)n1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)nn1 ZINC001034762929 711001814 /nfs/dbraw/zinc/00/18/14/711001814.db2.gz FACPXFLBPRDRBS-HDJSIYSDSA-N 2 2 345.451 1.342 20 0 EDADLP C[C@H]1C[C@H](C[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC001003972108 711124772 /nfs/dbraw/zinc/12/47/72/711124772.db2.gz UVLYEWGFMZBPIJ-LSDHHAIUSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001005717932 711134204 /nfs/dbraw/zinc/13/42/04/711134204.db2.gz BQFXYPSTFOTCBW-CYBMUJFWSA-N 2 2 346.435 1.567 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2C[NH+]([C@H](C)COC)C2)o1 ZINC001044359418 711151647 /nfs/dbraw/zinc/15/16/47/711151647.db2.gz NFRYJLWUYSBIGG-CQSZACIVSA-N 2 2 337.464 1.913 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)c(C)o1 ZINC001034919772 711376876 /nfs/dbraw/zinc/37/68/76/711376876.db2.gz DJVUYINQFTVXBP-CQSZACIVSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001034957840 711430747 /nfs/dbraw/zinc/43/07/47/711430747.db2.gz LQHUBIZUCDBBRF-IUODEOHRSA-N 2 2 334.468 1.239 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001034957840 711430749 /nfs/dbraw/zinc/43/07/49/711430749.db2.gz LQHUBIZUCDBBRF-IUODEOHRSA-N 2 2 334.468 1.239 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922398274 711474615 /nfs/dbraw/zinc/47/46/15/711474615.db2.gz UROXHLILYVAFJO-CABCVRRESA-N 2 2 349.504 1.598 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922398274 711474616 /nfs/dbraw/zinc/47/46/16/711474616.db2.gz UROXHLILYVAFJO-CABCVRRESA-N 2 2 349.504 1.598 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC001004153313 711550761 /nfs/dbraw/zinc/55/07/61/711550761.db2.gz ZQTACVPQVCQXDE-UHFFFAOYSA-N 2 2 328.420 1.071 20 0 EDADLP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC001004148679 711561814 /nfs/dbraw/zinc/56/18/14/711561814.db2.gz VOUUOGQAAZFOFP-UHFFFAOYSA-N 2 2 336.867 1.911 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]CCN1Cc2ccccc2OCC1=O ZINC000922461510 711577335 /nfs/dbraw/zinc/57/73/35/711577335.db2.gz LDSNXHYGDGZZRX-UHFFFAOYSA-N 2 2 340.427 1.658 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946614538 711861326 /nfs/dbraw/zinc/86/13/26/711861326.db2.gz BONWLXIACFCPQQ-OAGGEKHMSA-N 2 2 334.464 1.548 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946614538 711861327 /nfs/dbraw/zinc/86/13/27/711861327.db2.gz BONWLXIACFCPQQ-OAGGEKHMSA-N 2 2 334.464 1.548 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946614538 711861328 /nfs/dbraw/zinc/86/13/28/711861328.db2.gz BONWLXIACFCPQQ-OAGGEKHMSA-N 2 2 334.464 1.548 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946614538 711861330 /nfs/dbraw/zinc/86/13/30/711861330.db2.gz BONWLXIACFCPQQ-OAGGEKHMSA-N 2 2 334.464 1.548 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033126908 711891513 /nfs/dbraw/zinc/89/15/13/711891513.db2.gz POFJXWGLOVAWST-SJLPKXTDSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033126908 711891515 /nfs/dbraw/zinc/89/15/15/711891515.db2.gz POFJXWGLOVAWST-SJLPKXTDSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033126908 711891516 /nfs/dbraw/zinc/89/15/16/711891516.db2.gz POFJXWGLOVAWST-SJLPKXTDSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033126908 711891518 /nfs/dbraw/zinc/89/15/18/711891518.db2.gz POFJXWGLOVAWST-SJLPKXTDSA-N 2 2 345.491 1.692 20 0 EDADLP CO[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595498 712035910 /nfs/dbraw/zinc/03/59/10/712035910.db2.gz IGGIUPPUDKXGIW-CRAIPNDOSA-N 2 2 348.491 1.701 20 0 EDADLP CO[C@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595498 712035911 /nfs/dbraw/zinc/03/59/11/712035911.db2.gz IGGIUPPUDKXGIW-CRAIPNDOSA-N 2 2 348.491 1.701 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597035 712038682 /nfs/dbraw/zinc/03/86/82/712038682.db2.gz QIDHPRWYXAKFHD-PBHICJAKSA-N 2 2 334.464 1.046 20 0 EDADLP C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597035 712038684 /nfs/dbraw/zinc/03/86/84/712038684.db2.gz QIDHPRWYXAKFHD-PBHICJAKSA-N 2 2 334.464 1.046 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@@H]2CCC[N@@H+]2Cc2ccon2)CC1 ZINC001004626670 712084049 /nfs/dbraw/zinc/08/40/49/712084049.db2.gz RZYIEKYCAFUSGR-KRWDZBQOSA-N 2 2 343.431 1.774 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@@H]2CCC[N@H+]2Cc2ccon2)CC1 ZINC001004626670 712084051 /nfs/dbraw/zinc/08/40/51/712084051.db2.gz RZYIEKYCAFUSGR-KRWDZBQOSA-N 2 2 343.431 1.774 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033152644 712166722 /nfs/dbraw/zinc/16/67/22/712166722.db2.gz QMHWKAZNBOGNNA-IRXDYDNUSA-N 2 2 339.443 1.888 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033152644 712166724 /nfs/dbraw/zinc/16/67/24/712166724.db2.gz QMHWKAZNBOGNNA-IRXDYDNUSA-N 2 2 339.443 1.888 20 0 EDADLP COc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000051236027 214084635 /nfs/dbraw/zinc/08/46/35/214084635.db2.gz IFOJIMAFRQOUGR-UHFFFAOYSA-N 2 2 347.463 1.770 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cc1 ZINC000355858804 282147812 /nfs/dbraw/zinc/14/78/12/282147812.db2.gz CGDRRXNTEFNXEV-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)sc2n1 ZINC000173870471 231056483 /nfs/dbraw/zinc/05/64/83/231056483.db2.gz QPXOMRHXCKWIDK-CQSZACIVSA-N 2 2 347.488 1.767 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)sc2n1 ZINC000173870471 231056485 /nfs/dbraw/zinc/05/64/85/231056485.db2.gz QPXOMRHXCKWIDK-CQSZACIVSA-N 2 2 347.488 1.767 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000559249229 306252097 /nfs/dbraw/zinc/25/20/97/306252097.db2.gz RXVCXVJSCWUTDP-QAPCUYQASA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000559249229 306252098 /nfs/dbraw/zinc/25/20/98/306252098.db2.gz RXVCXVJSCWUTDP-QAPCUYQASA-N 2 2 340.427 1.651 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)CC1 ZINC000174284679 529774460 /nfs/dbraw/zinc/77/44/60/529774460.db2.gz OTYFMYNHAHZWFV-UHFFFAOYSA-N 2 2 329.444 1.809 20 0 EDADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)CC1 ZINC000174284679 529774462 /nfs/dbraw/zinc/77/44/62/529774462.db2.gz OTYFMYNHAHZWFV-UHFFFAOYSA-N 2 2 329.444 1.809 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000174881514 529776485 /nfs/dbraw/zinc/77/64/85/529776485.db2.gz BNIRZWAYCZIKJF-HNNXBMFYSA-N 2 2 335.496 1.969 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000174881514 529776487 /nfs/dbraw/zinc/77/64/87/529776487.db2.gz BNIRZWAYCZIKJF-HNNXBMFYSA-N 2 2 335.496 1.969 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)n1C ZINC000414257585 282320947 /nfs/dbraw/zinc/32/09/47/282320947.db2.gz DKWYDBQCZAHZKS-GOSISDBHSA-N 2 2 343.475 1.649 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413100148 282326976 /nfs/dbraw/zinc/32/69/76/282326976.db2.gz FIQHUMLJCKFINF-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000163671656 529979590 /nfs/dbraw/zinc/97/95/90/529979590.db2.gz CBVUTTQTGZIVFU-CQSZACIVSA-N 2 2 339.867 1.719 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC[NH+]1CCOCC1 ZINC000153928475 529999219 /nfs/dbraw/zinc/99/92/19/529999219.db2.gz UOSNKTKJUINXJT-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC[NH+]1CCOCC1 ZINC000153928475 529999220 /nfs/dbraw/zinc/99/92/20/529999220.db2.gz UOSNKTKJUINXJT-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534413 215051008 /nfs/dbraw/zinc/05/10/08/215051008.db2.gz LZMUXZGXWMJYFT-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534413 215051011 /nfs/dbraw/zinc/05/10/11/215051011.db2.gz LZMUXZGXWMJYFT-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412372822 304002515 /nfs/dbraw/zinc/00/25/15/304002515.db2.gz RACGJIQNVTYZHT-ZIAGYGMSSA-N 2 2 327.469 1.154 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412372822 304002516 /nfs/dbraw/zinc/00/25/16/304002516.db2.gz RACGJIQNVTYZHT-ZIAGYGMSSA-N 2 2 327.469 1.154 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000342596395 539762519 /nfs/dbraw/zinc/76/25/19/539762519.db2.gz YWWLGCVXCPRUGQ-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000342596395 539762522 /nfs/dbraw/zinc/76/25/22/539762522.db2.gz YWWLGCVXCPRUGQ-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000342596395 539762527 /nfs/dbraw/zinc/76/25/27/539762527.db2.gz YWWLGCVXCPRUGQ-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000342596395 539762530 /nfs/dbraw/zinc/76/25/30/539762530.db2.gz YWWLGCVXCPRUGQ-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP C/C=C\C[C@@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000588491939 539991517 /nfs/dbraw/zinc/99/15/17/539991517.db2.gz ASKSHHCDNVPRRD-QGZUEGPWSA-N 2 2 338.496 1.171 20 0 EDADLP C[C@H]1C[C@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)c2[nH+]ccn21 ZINC000562938720 306312967 /nfs/dbraw/zinc/31/29/67/306312967.db2.gz PJCSHCJEDBONNP-JSGCOSHPSA-N 2 2 329.404 1.654 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c2[nH+]ccn21 ZINC000562938640 306312996 /nfs/dbraw/zinc/31/29/96/306312996.db2.gz CNLZLLCMEQOLFD-DZGCQCFKSA-N 2 2 340.431 1.466 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@H]3CCCC[N@H+]3CCO)[nH+]c2c1 ZINC000563013240 306315810 /nfs/dbraw/zinc/31/58/10/306315810.db2.gz HMYRMFJQTYUBSI-MRXNPFEDSA-N 2 2 345.447 1.289 20 0 EDADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000563202719 306323096 /nfs/dbraw/zinc/32/30/96/306323096.db2.gz AMMNGQPAVZWNKM-USXIJHARSA-N 2 2 332.448 1.205 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000184069536 235297600 /nfs/dbraw/zinc/29/76/00/235297600.db2.gz JVJKOUVLGIOWBA-WMZOPIPTSA-N 2 2 332.492 1.432 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000184069536 235297602 /nfs/dbraw/zinc/29/76/02/235297602.db2.gz JVJKOUVLGIOWBA-WMZOPIPTSA-N 2 2 332.492 1.432 20 0 EDADLP c1ccc(N2CCO[C@H](C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000563349585 306328807 /nfs/dbraw/zinc/32/88/07/306328807.db2.gz HPLZJOFYWLWMBZ-AZUAARDMSA-N 2 2 345.487 1.546 20 0 EDADLP c1ccc(N2CCO[C@H](C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000563349585 306328808 /nfs/dbraw/zinc/32/88/08/306328808.db2.gz HPLZJOFYWLWMBZ-AZUAARDMSA-N 2 2 345.487 1.546 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000105922754 540191132 /nfs/dbraw/zinc/19/11/32/540191132.db2.gz XZQSOSDMNYDSCS-QGZVFWFLSA-N 3 2 347.507 1.683 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000105922754 540191134 /nfs/dbraw/zinc/19/11/34/540191134.db2.gz XZQSOSDMNYDSCS-QGZVFWFLSA-N 3 2 347.507 1.683 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000066664825 138180621 /nfs/dbraw/zinc/18/06/21/138180621.db2.gz BVLOPMARRWFRHT-IRXDYDNUSA-N 2 2 336.524 1.393 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[NH+](CC)CC)CC1 ZINC000063744496 138169203 /nfs/dbraw/zinc/16/92/03/138169203.db2.gz SSCZJBTZKWWQCB-UHFFFAOYSA-N 2 2 346.519 1.782 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000072874805 138211808 /nfs/dbraw/zinc/21/18/08/138211808.db2.gz GFNMESMXQRRGSH-INIZCTEOSA-N 2 2 343.471 1.750 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000072874805 138211809 /nfs/dbraw/zinc/21/18/09/138211809.db2.gz GFNMESMXQRRGSH-INIZCTEOSA-N 2 2 343.471 1.750 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000074057420 138224384 /nfs/dbraw/zinc/22/43/84/138224384.db2.gz YJYDBFGMVYLKBT-CYBMUJFWSA-N 2 2 325.403 1.949 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000074057420 138224385 /nfs/dbraw/zinc/22/43/85/138224385.db2.gz YJYDBFGMVYLKBT-CYBMUJFWSA-N 2 2 325.403 1.949 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000084695066 138270081 /nfs/dbraw/zinc/27/00/81/138270081.db2.gz LBZBWWIEKSWQOO-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000084695066 138270082 /nfs/dbraw/zinc/27/00/82/138270082.db2.gz LBZBWWIEKSWQOO-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000084695066 138270083 /nfs/dbraw/zinc/27/00/83/138270083.db2.gz LBZBWWIEKSWQOO-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000084695066 138270084 /nfs/dbraw/zinc/27/00/84/138270084.db2.gz LBZBWWIEKSWQOO-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000090656355 138280114 /nfs/dbraw/zinc/28/01/14/138280114.db2.gz BFUKIQZYNRXZCP-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000090656355 138280115 /nfs/dbraw/zinc/28/01/15/138280115.db2.gz BFUKIQZYNRXZCP-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090656355 138280116 /nfs/dbraw/zinc/28/01/16/138280116.db2.gz BFUKIQZYNRXZCP-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090656355 138280117 /nfs/dbraw/zinc/28/01/17/138280117.db2.gz BFUKIQZYNRXZCP-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000093176767 138292200 /nfs/dbraw/zinc/29/22/00/138292200.db2.gz UBMRILFPVAMSQG-SFHVURJKSA-N 2 2 331.460 1.299 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000093176767 138292201 /nfs/dbraw/zinc/29/22/01/138292201.db2.gz UBMRILFPVAMSQG-SFHVURJKSA-N 2 2 331.460 1.299 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000116519041 138311864 /nfs/dbraw/zinc/31/18/64/138311864.db2.gz DUGOGJGJLUACSL-RDJZCZTQSA-N 2 2 342.447 1.488 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000116519041 138311865 /nfs/dbraw/zinc/31/18/65/138311865.db2.gz DUGOGJGJLUACSL-RDJZCZTQSA-N 2 2 342.447 1.488 20 0 EDADLP COC(=O)C1(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCCCC1 ZINC000123896066 138322088 /nfs/dbraw/zinc/32/20/88/138322088.db2.gz KLVFHICRLPKJHL-HUUCEWRRSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCCCC1 ZINC000123896066 138322089 /nfs/dbraw/zinc/32/20/89/138322089.db2.gz KLVFHICRLPKJHL-HUUCEWRRSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCCCC1 ZINC000123896066 138322090 /nfs/dbraw/zinc/32/20/90/138322090.db2.gz KLVFHICRLPKJHL-HUUCEWRRSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000123896066 138322091 /nfs/dbraw/zinc/32/20/91/138322091.db2.gz KLVFHICRLPKJHL-HUUCEWRRSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CCCCC1 ZINC000123896310 138322108 /nfs/dbraw/zinc/32/21/08/138322108.db2.gz KLVFHICRLPKJHL-LSDHHAIUSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CCCCC1 ZINC000123896310 138322109 /nfs/dbraw/zinc/32/21/09/138322109.db2.gz KLVFHICRLPKJHL-LSDHHAIUSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC000123896310 138322110 /nfs/dbraw/zinc/32/21/10/138322110.db2.gz KLVFHICRLPKJHL-LSDHHAIUSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000123896310 138322111 /nfs/dbraw/zinc/32/21/11/138322111.db2.gz KLVFHICRLPKJHL-LSDHHAIUSA-N 2 2 339.480 1.393 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc2ncsc2c1 ZINC000563595250 306340794 /nfs/dbraw/zinc/34/07/94/306340794.db2.gz VYAOVJKWEFTWDT-DGCLKSJQSA-N 2 2 333.461 1.642 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc2ncsc2c1 ZINC000563595250 306340795 /nfs/dbraw/zinc/34/07/95/306340795.db2.gz VYAOVJKWEFTWDT-DGCLKSJQSA-N 2 2 333.461 1.642 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130673751 138344561 /nfs/dbraw/zinc/34/45/61/138344561.db2.gz QWXGCJPMEDESMW-GDBMZVCRSA-N 2 2 335.496 1.480 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130673751 138344562 /nfs/dbraw/zinc/34/45/62/138344562.db2.gz QWXGCJPMEDESMW-GDBMZVCRSA-N 2 2 335.496 1.480 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000130673751 138344563 /nfs/dbraw/zinc/34/45/63/138344563.db2.gz QWXGCJPMEDESMW-GDBMZVCRSA-N 2 2 335.496 1.480 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000130673751 138344564 /nfs/dbraw/zinc/34/45/64/138344564.db2.gz QWXGCJPMEDESMW-GDBMZVCRSA-N 2 2 335.496 1.480 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCn2c[nH+]cc2C1 ZINC000131485886 138360410 /nfs/dbraw/zinc/36/04/10/138360410.db2.gz FNGUDZZLIABYLY-INIZCTEOSA-N 2 2 340.427 1.916 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000342783655 283247840 /nfs/dbraw/zinc/24/78/40/283247840.db2.gz OYYIOVXZOKVKJZ-KRWDZBQOSA-N 2 2 335.496 1.747 20 0 EDADLP C[N@@H+](C[C@@H](O)CNC[C@@H]1CSCC[NH+]1Cc1ccccc1)C1CC1 ZINC000564723742 306363705 /nfs/dbraw/zinc/36/37/05/306363705.db2.gz QSWUYIYPXNQWSC-MOPGFXCFSA-N 2 2 349.544 1.649 20 0 EDADLP C[NH+](C[C@@H](O)CNC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000564723742 306363706 /nfs/dbraw/zinc/36/37/06/306363706.db2.gz QSWUYIYPXNQWSC-MOPGFXCFSA-N 2 2 349.544 1.649 20 0 EDADLP C[NH+](C[C@@H](O)CNC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000564723742 306363707 /nfs/dbraw/zinc/36/37/07/306363707.db2.gz QSWUYIYPXNQWSC-MOPGFXCFSA-N 2 2 349.544 1.649 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000173915469 237271385 /nfs/dbraw/zinc/27/13/85/237271385.db2.gz YLNINUUBYZMEAE-UHFFFAOYSA-N 2 2 345.451 1.854 20 0 EDADLP CCOCC[C@@H](O)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000564849868 306367441 /nfs/dbraw/zinc/36/74/41/306367441.db2.gz OKBDWSHTFLDCEI-QGZVFWFLSA-N 2 2 328.497 1.646 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725258 216300155 /nfs/dbraw/zinc/30/01/55/216300155.db2.gz LSRDIFUMGYIUHZ-PBHICJAKSA-N 2 2 346.475 1.919 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725258 216300157 /nfs/dbraw/zinc/30/01/57/216300157.db2.gz LSRDIFUMGYIUHZ-PBHICJAKSA-N 2 2 346.475 1.919 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725258 216300160 /nfs/dbraw/zinc/30/01/60/216300160.db2.gz LSRDIFUMGYIUHZ-PBHICJAKSA-N 2 2 346.475 1.919 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725258 216300161 /nfs/dbraw/zinc/30/01/61/216300161.db2.gz LSRDIFUMGYIUHZ-PBHICJAKSA-N 2 2 346.475 1.919 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841301 306393395 /nfs/dbraw/zinc/39/33/95/306393395.db2.gz RGOLRZRLZJSARU-CVEARBPZSA-N 2 2 334.464 1.353 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841301 306393396 /nfs/dbraw/zinc/39/33/96/306393396.db2.gz RGOLRZRLZJSARU-CVEARBPZSA-N 2 2 334.464 1.353 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841301 306393397 /nfs/dbraw/zinc/39/33/97/306393397.db2.gz RGOLRZRLZJSARU-CVEARBPZSA-N 2 2 334.464 1.353 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841301 306393398 /nfs/dbraw/zinc/39/33/98/306393398.db2.gz RGOLRZRLZJSARU-CVEARBPZSA-N 2 2 334.464 1.353 20 0 EDADLP C[C@H](C(=O)NCC1CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000566202789 306403512 /nfs/dbraw/zinc/40/35/12/306403512.db2.gz GCQDDSFVKQCZPF-OAHLLOKOSA-N 2 2 348.466 1.452 20 0 EDADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000414748092 304136840 /nfs/dbraw/zinc/13/68/40/304136840.db2.gz IAIBSAIPISDMKG-UHFFFAOYSA-N 2 2 341.415 1.358 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000414788002 304140767 /nfs/dbraw/zinc/14/07/67/304140767.db2.gz MJVIVXOFVUPZCH-UHFFFAOYSA-N 2 2 335.448 1.523 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000414788002 304140769 /nfs/dbraw/zinc/14/07/69/304140769.db2.gz MJVIVXOFVUPZCH-UHFFFAOYSA-N 2 2 335.448 1.523 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000340482165 284066432 /nfs/dbraw/zinc/06/64/32/284066432.db2.gz WOMGWNKQSVMBPK-QLFBSQMISA-N 2 2 345.447 1.206 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000340482165 284066435 /nfs/dbraw/zinc/06/64/35/284066435.db2.gz WOMGWNKQSVMBPK-QLFBSQMISA-N 2 2 345.447 1.206 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH+]2CCC3(CC[NH2+]3)CC2)c1OC ZINC000566790726 306428602 /nfs/dbraw/zinc/42/86/02/306428602.db2.gz IMPLYMDISUUMHK-UHFFFAOYSA-N 2 2 347.459 1.490 20 0 EDADLP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000192509216 138945916 /nfs/dbraw/zinc/94/59/16/138945916.db2.gz VDHPXPVDKMQVDA-AEFFLSMTSA-N 2 2 334.460 1.912 20 0 EDADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415090414 304158579 /nfs/dbraw/zinc/15/85/79/304158579.db2.gz AMYFLSOCFQTGAZ-GOSISDBHSA-N 2 2 328.460 1.935 20 0 EDADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000415094346 304159231 /nfs/dbraw/zinc/15/92/31/304159231.db2.gz JUTOXERUPXJCIJ-OCCSQVGLSA-N 2 2 325.840 1.944 20 0 EDADLP C[C@H](c1cccc(NC(=O)NC[C@@H]([NH3+])C2CC2)c1)[NH+]1CCOCC1 ZINC000415148135 304165153 /nfs/dbraw/zinc/16/51/53/304165153.db2.gz JUOOXYSHHIZMDK-CXAGYDPISA-N 2 2 332.448 1.939 20 0 EDADLP CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000236685034 139028627 /nfs/dbraw/zinc/02/86/27/139028627.db2.gz NCHCKKRUYGQPDZ-MRXNPFEDSA-N 2 2 329.448 1.352 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)CC(C)(C)[NH3+])c2[nH+]ccn2C)c1 ZINC000237222651 139044941 /nfs/dbraw/zinc/04/49/41/139044941.db2.gz HBYRADYMLCMKNI-INIZCTEOSA-N 2 2 346.431 1.770 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000237489941 139052352 /nfs/dbraw/zinc/05/23/52/139052352.db2.gz VZCVQCBHEPGJNH-RDJZCZTQSA-N 2 2 332.448 1.055 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000015254340 211810779 /nfs/dbraw/zinc/81/07/79/211810779.db2.gz KTKTUTPAICBSGY-UHFFFAOYSA-N 2 2 331.460 1.272 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000015254340 211810781 /nfs/dbraw/zinc/81/07/81/211810781.db2.gz KTKTUTPAICBSGY-UHFFFAOYSA-N 2 2 331.460 1.272 20 0 EDADLP [NH3+][C@@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000237890854 139063064 /nfs/dbraw/zinc/06/30/64/139063064.db2.gz RFAFRLUDADVQRY-FUHWJXTLSA-N 2 2 349.500 1.401 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000237896709 139063109 /nfs/dbraw/zinc/06/31/09/139063109.db2.gz DTHXGKMBQMINGH-IRXDYDNUSA-N 2 2 347.459 1.141 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000237809272 139061048 /nfs/dbraw/zinc/06/10/48/139061048.db2.gz FVZDVQCNWDXBQT-KRWDZBQOSA-N 2 2 340.427 1.104 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C2)CC1 ZINC000245427121 139073840 /nfs/dbraw/zinc/07/38/40/139073840.db2.gz LUGGVVDLHASJAO-MSOLQXFVSA-N 2 2 338.540 1.591 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C2)CC1 ZINC000245427121 139073841 /nfs/dbraw/zinc/07/38/41/139073841.db2.gz LUGGVVDLHASJAO-MSOLQXFVSA-N 2 2 338.540 1.591 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245505849 139077394 /nfs/dbraw/zinc/07/73/94/139077394.db2.gz GNNANJVDUCZMLQ-CABCVRRESA-N 2 2 329.448 1.444 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245505849 139077395 /nfs/dbraw/zinc/07/73/95/139077395.db2.gz GNNANJVDUCZMLQ-CABCVRRESA-N 2 2 329.448 1.444 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)[C@H](C)C1 ZINC000246264146 139101570 /nfs/dbraw/zinc/10/15/70/139101570.db2.gz ABJGBTLLZMRREI-OAGGEKHMSA-N 3 2 332.496 1.807 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)[C@H](C)C1 ZINC000246264146 139101571 /nfs/dbraw/zinc/10/15/71/139101571.db2.gz ABJGBTLLZMRREI-OAGGEKHMSA-N 3 2 332.496 1.807 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000246594058 139114077 /nfs/dbraw/zinc/11/40/77/139114077.db2.gz ZOLFTYZZYBNTBB-DJIMGWMZSA-N 2 2 326.448 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000246594058 139114078 /nfs/dbraw/zinc/11/40/78/139114078.db2.gz ZOLFTYZZYBNTBB-DJIMGWMZSA-N 2 2 326.448 1.488 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246708948 139118119 /nfs/dbraw/zinc/11/81/19/139118119.db2.gz LBTWVIYLUPKKHM-MJGOQNOKSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246708948 139118120 /nfs/dbraw/zinc/11/81/20/139118120.db2.gz LBTWVIYLUPKKHM-MJGOQNOKSA-N 2 2 345.487 1.688 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCOC(C)(C)C3)CC[C@H]21 ZINC000246903773 139126265 /nfs/dbraw/zinc/12/62/65/139126265.db2.gz MKYDCMYSINDKQQ-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCOC(C)(C)C3)CC[C@H]21 ZINC000246903773 139126266 /nfs/dbraw/zinc/12/62/66/139126266.db2.gz MKYDCMYSINDKQQ-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@H]2CN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC[C@H]21 ZINC000246903773 139126267 /nfs/dbraw/zinc/12/62/67/139126267.db2.gz MKYDCMYSINDKQQ-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@H]2CN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC[C@H]21 ZINC000246903773 139126268 /nfs/dbraw/zinc/12/62/68/139126268.db2.gz MKYDCMYSINDKQQ-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415314378 304192438 /nfs/dbraw/zinc/19/24/38/304192438.db2.gz JPDMYAOQUHAAJK-MRXNPFEDSA-N 2 2 347.463 1.866 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415320421 304194155 /nfs/dbraw/zinc/19/41/55/304194155.db2.gz WDLDJBFUNGAGOA-ZIAGYGMSSA-N 2 2 333.436 1.476 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000568274076 306477620 /nfs/dbraw/zinc/47/76/20/306477620.db2.gz SGHGEHRYDDESCA-JENIJYKNSA-N 2 2 345.487 1.734 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000247974806 139156637 /nfs/dbraw/zinc/15/66/37/139156637.db2.gz HROYVWSCFQFPDE-DZGCQCFKSA-N 2 2 336.505 1.690 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000247974806 139156638 /nfs/dbraw/zinc/15/66/38/139156638.db2.gz HROYVWSCFQFPDE-DZGCQCFKSA-N 2 2 336.505 1.690 20 0 EDADLP CN(C)C(=O)Cc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000247974806 139156639 /nfs/dbraw/zinc/15/66/39/139156639.db2.gz HROYVWSCFQFPDE-DZGCQCFKSA-N 2 2 336.505 1.690 20 0 EDADLP CN(C)C(=O)Cc1nc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000247974806 139156640 /nfs/dbraw/zinc/15/66/40/139156640.db2.gz HROYVWSCFQFPDE-DZGCQCFKSA-N 2 2 336.505 1.690 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NCc3ccco3)CC[C@H]21 ZINC000247983966 139156833 /nfs/dbraw/zinc/15/68/33/139156833.db2.gz IREWMBAKAQMHGF-DZGCQCFKSA-N 2 2 334.420 1.022 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NCc3ccco3)CC[C@H]21 ZINC000247983966 139156834 /nfs/dbraw/zinc/15/68/34/139156834.db2.gz IREWMBAKAQMHGF-DZGCQCFKSA-N 2 2 334.420 1.022 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC(=O)NCc3ccco3)CC[C@H]21 ZINC000247983966 139156835 /nfs/dbraw/zinc/15/68/35/139156835.db2.gz IREWMBAKAQMHGF-DZGCQCFKSA-N 2 2 334.420 1.022 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC(=O)NCc3ccco3)CC[C@H]21 ZINC000247983966 139156836 /nfs/dbraw/zinc/15/68/36/139156836.db2.gz IREWMBAKAQMHGF-DZGCQCFKSA-N 2 2 334.420 1.022 20 0 EDADLP COc1ccc(OCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000248148421 139158809 /nfs/dbraw/zinc/15/88/09/139158809.db2.gz YXRSYQVTNJXWFN-UHFFFAOYSA-N 2 2 347.459 1.314 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000248425922 139163303 /nfs/dbraw/zinc/16/33/03/139163303.db2.gz KAGRIHCRBGXOHP-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000248425922 139163304 /nfs/dbraw/zinc/16/33/04/139163304.db2.gz KAGRIHCRBGXOHP-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000248425922 139163305 /nfs/dbraw/zinc/16/33/05/139163305.db2.gz KAGRIHCRBGXOHP-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000248425922 139163306 /nfs/dbraw/zinc/16/33/06/139163306.db2.gz KAGRIHCRBGXOHP-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H](C)C[S@@](C)=O)c2cc1C ZINC000248604126 139168619 /nfs/dbraw/zinc/16/86/19/139168619.db2.gz FAQCRGRJYHDNRS-GGOJBBCOSA-N 2 2 337.489 1.713 20 0 EDADLP CC[N@H+](C)CC[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000248638478 139169513 /nfs/dbraw/zinc/16/95/13/139169513.db2.gz WDCGHAOYUUIRHF-CABCVRRESA-N 2 2 329.485 1.942 20 0 EDADLP CC[N@@H+](C)CC[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000248638478 139169514 /nfs/dbraw/zinc/16/95/14/139169514.db2.gz WDCGHAOYUUIRHF-CABCVRRESA-N 2 2 329.485 1.942 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091711685 218052381 /nfs/dbraw/zinc/05/23/81/218052381.db2.gz LTKQVFPFNSEURA-IAGOWNOFSA-N 2 2 331.464 1.392 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc4ccc(C)cn34)C2)CC1 ZINC000093133444 218196297 /nfs/dbraw/zinc/19/62/97/218196297.db2.gz JUSUTFQZHVMMDJ-QGZVFWFLSA-N 2 2 327.476 1.855 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4ccc(C)cn34)C2)CC1 ZINC000093133444 218196299 /nfs/dbraw/zinc/19/62/99/218196299.db2.gz JUSUTFQZHVMMDJ-QGZVFWFLSA-N 2 2 327.476 1.855 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415412135 304216715 /nfs/dbraw/zinc/21/67/15/304216715.db2.gz BTNYQJUENLYNAZ-GFCCVEGCSA-N 2 2 343.431 1.507 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000249107405 139185881 /nfs/dbraw/zinc/18/58/81/139185881.db2.gz VOLKHWJHEAXOCB-ZACQAIPSSA-N 2 2 333.476 1.719 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000249375050 139191971 /nfs/dbraw/zinc/19/19/71/139191971.db2.gz XXCKRXLFPDJCHJ-PKOBYXMFSA-N 3 2 346.519 1.679 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000249375050 139191972 /nfs/dbraw/zinc/19/19/72/139191972.db2.gz XXCKRXLFPDJCHJ-PKOBYXMFSA-N 3 2 346.519 1.679 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000249375050 139191973 /nfs/dbraw/zinc/19/19/73/139191973.db2.gz XXCKRXLFPDJCHJ-PKOBYXMFSA-N 3 2 346.519 1.679 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000249375050 139191974 /nfs/dbraw/zinc/19/19/74/139191974.db2.gz XXCKRXLFPDJCHJ-PKOBYXMFSA-N 3 2 346.519 1.679 20 0 EDADLP COc1ccc(CN2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)CC2=O)cc1 ZINC000261819364 139228847 /nfs/dbraw/zinc/22/88/47/139228847.db2.gz IGEWSNGUFTUTNF-QGZVFWFLSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CN2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)CC2=O)cc1 ZINC000261819364 139228848 /nfs/dbraw/zinc/22/88/48/139228848.db2.gz IGEWSNGUFTUTNF-QGZVFWFLSA-N 2 2 331.460 1.729 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261966100 139240455 /nfs/dbraw/zinc/24/04/55/139240455.db2.gz QBBOVHFGAAASAQ-GUDVDZBRSA-N 3 2 338.540 1.007 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000261988060 139242095 /nfs/dbraw/zinc/24/20/95/139242095.db2.gz JYBJHZQRMNNCJJ-INIZCTEOSA-N 3 2 342.447 1.087 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000261988060 139242096 /nfs/dbraw/zinc/24/20/96/139242096.db2.gz JYBJHZQRMNNCJJ-INIZCTEOSA-N 3 2 342.447 1.087 20 0 EDADLP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000262057094 139247202 /nfs/dbraw/zinc/24/72/02/139247202.db2.gz VOHQXYTZSWXJPK-LJQANCHMSA-N 2 2 344.503 1.359 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000414910340 250885640 /nfs/dbraw/zinc/88/56/40/250885640.db2.gz CKXOBEYKYXIDGO-CQSZACIVSA-N 2 2 341.415 1.474 20 0 EDADLP Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262095532 139250436 /nfs/dbraw/zinc/25/04/36/139250436.db2.gz VDTQIRNWVFGGTM-HXUWFJFHSA-N 2 2 344.503 1.859 20 0 EDADLP Cc1cc(C)cc(-n2ncc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262111788 139251875 /nfs/dbraw/zinc/25/18/75/139251875.db2.gz KKUYONHEWBPXKD-SFHVURJKSA-N 2 2 340.475 1.364 20 0 EDADLP Cc1cc(C)cc(-n2ncc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262111788 139251876 /nfs/dbraw/zinc/25/18/76/139251876.db2.gz KKUYONHEWBPXKD-SFHVURJKSA-N 2 2 340.475 1.364 20 0 EDADLP [NH3+]CC[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C(F)(F)F ZINC000415994953 251044516 /nfs/dbraw/zinc/04/45/16/251044516.db2.gz MHGQAOSMNKGPDC-ZDUSSCGKSA-N 2 2 345.369 1.189 20 0 EDADLP O=C(CC[N@@H+]1CCc2ccccc2C1)NCC1([NH+]2CCOCC2)CC1 ZINC000416217768 251058398 /nfs/dbraw/zinc/05/83/98/251058398.db2.gz DCVWXHFWRBXJLT-UHFFFAOYSA-N 2 2 343.471 1.416 20 0 EDADLP O=C(CC[N@H+]1CCc2ccccc2C1)NCC1([NH+]2CCOCC2)CC1 ZINC000416217768 251058402 /nfs/dbraw/zinc/05/84/02/251058402.db2.gz DCVWXHFWRBXJLT-UHFFFAOYSA-N 2 2 343.471 1.416 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@@H]3COCC[NH2+]3)n2)C1 ZINC000262303990 139268287 /nfs/dbraw/zinc/26/82/87/139268287.db2.gz BCKOOAPPRZBCQM-QWHCGFSZSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@@H]3COCC[NH2+]3)n2)C1 ZINC000262303990 139268288 /nfs/dbraw/zinc/26/82/88/139268288.db2.gz BCKOOAPPRZBCQM-QWHCGFSZSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@@H]3COCC[NH2+]3)n2)C1 ZINC000262303987 139268300 /nfs/dbraw/zinc/26/83/00/139268300.db2.gz BCKOOAPPRZBCQM-CHWSQXEVSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@@H]3COCC[NH2+]3)n2)C1 ZINC000262303987 139268301 /nfs/dbraw/zinc/26/83/01/139268301.db2.gz BCKOOAPPRZBCQM-CHWSQXEVSA-N 2 2 338.477 1.692 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000262305023 139268478 /nfs/dbraw/zinc/26/84/78/139268478.db2.gz BESQLSSFCXTCEC-GOEBONIOSA-N 2 2 332.379 1.143 20 0 EDADLP [NH3+]C1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000416882886 251117378 /nfs/dbraw/zinc/11/73/78/251117378.db2.gz APGJTVGUFGQOEV-KRWDZBQOSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416989876 251119802 /nfs/dbraw/zinc/11/98/02/251119802.db2.gz JBFJKJHQVCQBTN-RHSMWYFYSA-N 2 2 327.432 1.871 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCCO1 ZINC000416998825 251124314 /nfs/dbraw/zinc/12/43/14/251124314.db2.gz YYJXGKIWMQFUCR-INIZCTEOSA-N 2 2 347.463 1.331 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000416998794 251124745 /nfs/dbraw/zinc/12/47/45/251124745.db2.gz YUYNHXXVOGTZPX-INIZCTEOSA-N 2 2 331.464 1.964 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)s1 ZINC000262472258 139281235 /nfs/dbraw/zinc/28/12/35/139281235.db2.gz YJXPFEBKQLNEED-MAUKXSAKSA-N 2 2 348.516 1.876 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)N1CC[NH2+]CC1 ZINC000417854065 251298377 /nfs/dbraw/zinc/29/83/77/251298377.db2.gz SSANRXXNGMXXLE-UHFFFAOYSA-N 2 2 327.432 1.631 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000418704192 251388467 /nfs/dbraw/zinc/38/84/67/251388467.db2.gz CMOSQMLJCLNZSG-MJBXVCDLSA-N 2 2 341.431 1.240 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000418704192 251388473 /nfs/dbraw/zinc/38/84/73/251388473.db2.gz CMOSQMLJCLNZSG-MJBXVCDLSA-N 2 2 341.431 1.240 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000262754751 139301327 /nfs/dbraw/zinc/30/13/27/139301327.db2.gz CZYNSAXJGQNVFK-YPMHNXCESA-N 2 2 326.466 1.677 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000262754751 139301328 /nfs/dbraw/zinc/30/13/28/139301328.db2.gz CZYNSAXJGQNVFK-YPMHNXCESA-N 2 2 326.466 1.677 20 0 EDADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000422874054 252008599 /nfs/dbraw/zinc/00/85/99/252008599.db2.gz BZHRLUCPLINSLD-QFBILLFUSA-N 3 2 344.503 1.552 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC000422864207 252004104 /nfs/dbraw/zinc/00/41/04/252004104.db2.gz UPHNRSBOGSNAGO-HZPDHXFCSA-N 3 2 337.508 1.914 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC000422864207 252004109 /nfs/dbraw/zinc/00/41/09/252004109.db2.gz UPHNRSBOGSNAGO-HZPDHXFCSA-N 3 2 337.508 1.914 20 0 EDADLP [NH3+][C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cscn1 ZINC000423322036 252045356 /nfs/dbraw/zinc/04/53/56/252045356.db2.gz IJXVPABIKSXLSI-ZBFHGGJFSA-N 2 2 330.457 1.924 20 0 EDADLP [NH3+][C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cscn1 ZINC000423322036 252045359 /nfs/dbraw/zinc/04/53/59/252045359.db2.gz IJXVPABIKSXLSI-ZBFHGGJFSA-N 2 2 330.457 1.924 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423782117 252070762 /nfs/dbraw/zinc/07/07/62/252070762.db2.gz YZJVWGHMRLKNDH-GOSISDBHSA-N 2 2 341.459 1.500 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc[nH+]1 ZINC000423778297 252070984 /nfs/dbraw/zinc/07/09/84/252070984.db2.gz HFRIYWWKEWZCTN-KRWDZBQOSA-N 2 2 337.427 1.148 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423932755 252105122 /nfs/dbraw/zinc/10/51/22/252105122.db2.gz PVHMOMUGXNZPDU-MHORFTMASA-N 2 2 331.460 1.644 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423932755 252105126 /nfs/dbraw/zinc/10/51/26/252105126.db2.gz PVHMOMUGXNZPDU-MHORFTMASA-N 2 2 331.460 1.644 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423932416 252106072 /nfs/dbraw/zinc/10/60/72/252106072.db2.gz OJFCEAYUZLEDHT-LXZJYRNTSA-N 2 2 343.471 1.516 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423932416 252106078 /nfs/dbraw/zinc/10/60/78/252106078.db2.gz OJFCEAYUZLEDHT-LXZJYRNTSA-N 2 2 343.471 1.516 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000423808472 252085199 /nfs/dbraw/zinc/08/51/99/252085199.db2.gz YYATXPNQGMHGJY-SJORKVTESA-N 2 2 326.444 1.771 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)[nH+]c2c1 ZINC000424138291 252139044 /nfs/dbraw/zinc/13/90/44/252139044.db2.gz UCBPXHHEENJPRV-CQSZACIVSA-N 2 2 339.403 1.089 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424142794 252142256 /nfs/dbraw/zinc/14/22/56/252142256.db2.gz FHLPVSUOSVGNBG-AWEZNQCLSA-N 2 2 343.435 1.220 20 0 EDADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424154779 252147932 /nfs/dbraw/zinc/14/79/32/252147932.db2.gz LXZOCBCZLVZSSL-CQSZACIVSA-N 2 2 337.387 1.845 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000262928667 139313379 /nfs/dbraw/zinc/31/33/79/139313379.db2.gz HRJXEXKXSJVHBY-BHYGNILZSA-N 2 2 341.521 1.218 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)c2)CC1 ZINC000262936116 139313865 /nfs/dbraw/zinc/31/38/65/139313865.db2.gz IGWUZMJWLCKIED-OAHLLOKOSA-N 2 2 338.402 1.370 20 0 EDADLP Cc1noc(CN2CC[NH+](C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)n1 ZINC000424279694 252190736 /nfs/dbraw/zinc/19/07/36/252190736.db2.gz GJTWZQXBEVTPQQ-OAHLLOKOSA-N 2 2 333.411 1.377 20 0 EDADLP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263265688 139331963 /nfs/dbraw/zinc/33/19/63/139331963.db2.gz RNXCKVIWTSPLJP-AWEZNQCLSA-N 2 2 345.434 1.383 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)cs1 ZINC000153487954 224111632 /nfs/dbraw/zinc/11/16/32/224111632.db2.gz FZOAKONWLJZYAY-CHWSQXEVSA-N 2 2 336.505 1.872 20 0 EDADLP CC[NH+]1CCC([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000356977260 285191237 /nfs/dbraw/zinc/19/12/37/285191237.db2.gz LZHKZQIVUCRKHV-UHFFFAOYSA-N 2 2 325.478 1.511 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCO1 ZINC000263757967 139358257 /nfs/dbraw/zinc/35/82/57/139358257.db2.gz XUKRYBGQIITYBS-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCO1 ZINC000263757967 139358258 /nfs/dbraw/zinc/35/82/58/139358258.db2.gz XUKRYBGQIITYBS-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H]4C[C@H]3CS4)CC2)c1 ZINC000459796810 255002479 /nfs/dbraw/zinc/00/24/79/255002479.db2.gz QWRSYWQLOCTPGB-ROUUACIJSA-N 2 2 345.512 1.829 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H]4C[C@H]3CS4)CC2)c1 ZINC000459796810 255002481 /nfs/dbraw/zinc/00/24/81/255002481.db2.gz QWRSYWQLOCTPGB-ROUUACIJSA-N 2 2 345.512 1.829 20 0 EDADLP C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000488715937 255049925 /nfs/dbraw/zinc/04/99/25/255049925.db2.gz IPGXDJQNTPQZFH-WMZOPIPTSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000488715937 255049927 /nfs/dbraw/zinc/04/99/27/255049927.db2.gz IPGXDJQNTPQZFH-WMZOPIPTSA-N 2 2 331.460 1.034 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000492365549 255173129 /nfs/dbraw/zinc/17/31/29/255173129.db2.gz LDDCDOXKYDKKJG-GXMNPTEKSA-N 2 2 334.420 1.012 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000492365549 255173130 /nfs/dbraw/zinc/17/31/30/255173130.db2.gz LDDCDOXKYDKKJG-GXMNPTEKSA-N 2 2 334.420 1.012 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493192445 255195760 /nfs/dbraw/zinc/19/57/60/255195760.db2.gz QYUKFGMBDRENRK-WAVCKPEOSA-N 2 2 339.443 1.750 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000495190888 255272139 /nfs/dbraw/zinc/27/21/39/255272139.db2.gz LIOPZDQGBBUIEM-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000495190888 255272140 /nfs/dbraw/zinc/27/21/40/255272140.db2.gz LIOPZDQGBBUIEM-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000495190888 255272141 /nfs/dbraw/zinc/27/21/41/255272141.db2.gz LIOPZDQGBBUIEM-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000495190888 255272142 /nfs/dbraw/zinc/27/21/42/255272142.db2.gz LIOPZDQGBBUIEM-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000263977341 139373590 /nfs/dbraw/zinc/37/35/90/139373590.db2.gz TUTMPNIRYLXLCZ-KRWDZBQOSA-N 2 2 348.472 1.776 20 0 EDADLP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000263977341 139373591 /nfs/dbraw/zinc/37/35/91/139373591.db2.gz TUTMPNIRYLXLCZ-KRWDZBQOSA-N 2 2 348.472 1.776 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000118112311 221119630 /nfs/dbraw/zinc/11/96/30/221119630.db2.gz NFYVCZMPCVPPKU-CYBMUJFWSA-N 2 2 334.420 1.265 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000118112311 221119632 /nfs/dbraw/zinc/11/96/32/221119632.db2.gz NFYVCZMPCVPPKU-CYBMUJFWSA-N 2 2 334.420 1.265 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118841770 221194021 /nfs/dbraw/zinc/19/40/21/221194021.db2.gz LVRMNLJGRPZZDQ-HNNXBMFYSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118841770 221194023 /nfs/dbraw/zinc/19/40/23/221194023.db2.gz LVRMNLJGRPZZDQ-HNNXBMFYSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118841770 221194025 /nfs/dbraw/zinc/19/40/25/221194025.db2.gz LVRMNLJGRPZZDQ-HNNXBMFYSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118841770 221194026 /nfs/dbraw/zinc/19/40/26/221194026.db2.gz LVRMNLJGRPZZDQ-HNNXBMFYSA-N 2 2 346.475 1.601 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C[N@@H+]1C1CC1 ZINC000119204374 221266404 /nfs/dbraw/zinc/26/64/04/221266404.db2.gz VSRCMOHMZWPPNU-UKRRQHHQSA-N 2 2 327.432 1.801 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C[N@H+]1C1CC1 ZINC000119204374 221266407 /nfs/dbraw/zinc/26/64/07/221266407.db2.gz VSRCMOHMZWPPNU-UKRRQHHQSA-N 2 2 327.432 1.801 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000119614858 221359923 /nfs/dbraw/zinc/35/99/23/221359923.db2.gz VJSAEXWZEGTARE-CQSZACIVSA-N 2 2 334.420 1.265 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000264237231 139389281 /nfs/dbraw/zinc/38/92/81/139389281.db2.gz WOHZFCPQYBPBPO-UHFFFAOYSA-N 2 2 333.411 1.833 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)NCc1ccco1 ZINC000299739942 258010395 /nfs/dbraw/zinc/01/03/95/258010395.db2.gz TYUBYJVPTSYAGZ-AWEZNQCLSA-N 2 2 328.416 1.918 20 0 EDADLP O=C(C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)NCc1ccco1 ZINC000299739942 258010396 /nfs/dbraw/zinc/01/03/96/258010396.db2.gz TYUBYJVPTSYAGZ-AWEZNQCLSA-N 2 2 328.416 1.918 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000264273333 139392186 /nfs/dbraw/zinc/39/21/86/139392186.db2.gz HYURBGGVBNXSDO-LLVKDONJSA-N 2 2 333.358 1.681 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000264273333 139392187 /nfs/dbraw/zinc/39/21/87/139392187.db2.gz HYURBGGVBNXSDO-LLVKDONJSA-N 2 2 333.358 1.681 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000270464311 140105134 /nfs/dbraw/zinc/10/51/34/140105134.db2.gz GRYGAXWYFCQJSF-FUHWJXTLSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000270464311 140105136 /nfs/dbraw/zinc/10/51/36/140105136.db2.gz GRYGAXWYFCQJSF-FUHWJXTLSA-N 2 2 333.476 1.422 20 0 EDADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000271139168 140244393 /nfs/dbraw/zinc/24/43/93/140244393.db2.gz OOXNJWTXNNWLII-CJNGLKHVSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000271139168 140244394 /nfs/dbraw/zinc/24/43/94/140244394.db2.gz OOXNJWTXNNWLII-CJNGLKHVSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000271139168 140244395 /nfs/dbraw/zinc/24/43/95/140244395.db2.gz OOXNJWTXNNWLII-CJNGLKHVSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000271139168 140244396 /nfs/dbraw/zinc/24/43/96/140244396.db2.gz OOXNJWTXNNWLII-CJNGLKHVSA-N 2 2 344.415 1.131 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000271317279 140277121 /nfs/dbraw/zinc/27/71/21/140277121.db2.gz NJFIJAARBMDISP-HNNXBMFYSA-N 2 2 335.415 1.931 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000271317279 140277122 /nfs/dbraw/zinc/27/71/22/140277122.db2.gz NJFIJAARBMDISP-HNNXBMFYSA-N 2 2 335.415 1.931 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)ccc2[nH+]1 ZINC000271702589 140336541 /nfs/dbraw/zinc/33/65/41/140336541.db2.gz WMGGEGZSTJANTQ-GFCCVEGCSA-N 2 2 329.404 1.180 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)ccc2[nH+]1 ZINC000271702589 140336542 /nfs/dbraw/zinc/33/65/42/140336542.db2.gz WMGGEGZSTJANTQ-GFCCVEGCSA-N 2 2 329.404 1.180 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCOc2ncccc2F)CC1 ZINC000271717709 140338745 /nfs/dbraw/zinc/33/87/45/140338745.db2.gz CMVCSXOZONVANY-UHFFFAOYSA-N 2 2 339.411 1.607 20 0 EDADLP COc1cc(NC(=O)CCc2c[nH+]cn2C)ccc1OCC[NH+](C)C ZINC000416331812 304310159 /nfs/dbraw/zinc/31/01/59/304310159.db2.gz DPSCGYNXKHYRMZ-UHFFFAOYSA-N 2 2 346.431 1.940 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000332056981 141116177 /nfs/dbraw/zinc/11/61/77/141116177.db2.gz NVMMAWOMUVFSCU-HOCLYGCPSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000332056981 141116178 /nfs/dbraw/zinc/11/61/78/141116178.db2.gz NVMMAWOMUVFSCU-HOCLYGCPSA-N 2 2 331.464 1.832 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000332062696 141116813 /nfs/dbraw/zinc/11/68/13/141116813.db2.gz QFWHALOEXQAVTK-OCCSQVGLSA-N 2 2 333.436 1.346 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000332873043 141242188 /nfs/dbraw/zinc/24/21/88/141242188.db2.gz XSLZOILRWNIJHP-MJBXVCDLSA-N 2 2 349.479 1.454 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000332873043 141242189 /nfs/dbraw/zinc/24/21/89/141242189.db2.gz XSLZOILRWNIJHP-MJBXVCDLSA-N 2 2 349.479 1.454 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)O1 ZINC000332873043 141242190 /nfs/dbraw/zinc/24/21/90/141242190.db2.gz XSLZOILRWNIJHP-MJBXVCDLSA-N 2 2 349.479 1.454 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)O1 ZINC000332873043 141242191 /nfs/dbraw/zinc/24/21/91/141242191.db2.gz XSLZOILRWNIJHP-MJBXVCDLSA-N 2 2 349.479 1.454 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C[N@@H+]1C1CC1 ZINC000333062730 141257647 /nfs/dbraw/zinc/25/76/47/141257647.db2.gz SRDSBMOVQOKDNW-XJIUQZFPSA-N 2 2 347.463 1.565 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C[N@H+]1C1CC1 ZINC000333062730 141257648 /nfs/dbraw/zinc/25/76/48/141257648.db2.gz SRDSBMOVQOKDNW-XJIUQZFPSA-N 2 2 347.463 1.565 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000333393050 141310898 /nfs/dbraw/zinc/31/08/98/141310898.db2.gz PBAZKRNTFDRXBP-UXLLHSPISA-N 2 2 338.496 1.127 20 0 EDADLP Cc1ccn2cc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)nc2c1 ZINC000344747016 143006711 /nfs/dbraw/zinc/00/67/11/143006711.db2.gz LAEDTUCOWGBCEB-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP Cc1ccn2cc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)nc2c1 ZINC000344747016 143006712 /nfs/dbraw/zinc/00/67/12/143006712.db2.gz LAEDTUCOWGBCEB-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H]1[NH+](C)C ZINC000344752069 143007459 /nfs/dbraw/zinc/00/74/59/143007459.db2.gz XZLCVDALHOWDHV-YESZJQIVSA-N 2 2 333.501 1.765 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@@H]1[NH+](C)C ZINC000344752069 143007460 /nfs/dbraw/zinc/00/74/60/143007460.db2.gz XZLCVDALHOWDHV-YESZJQIVSA-N 2 2 333.501 1.765 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CCC(=O)N[C@H]2c2ccnn2C)c[nH+]1 ZINC000345024045 143040632 /nfs/dbraw/zinc/04/06/32/143040632.db2.gz XKHMQCFWIQMZTQ-MAUKXSAKSA-N 2 2 327.432 1.666 20 0 EDADLP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cnn1C(C)(C)C ZINC000345312562 143076472 /nfs/dbraw/zinc/07/64/72/143076472.db2.gz MCKDMYMZTDMOHH-BBRMVZONSA-N 2 2 335.496 1.937 20 0 EDADLP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cnn1C(C)(C)C ZINC000345312562 143076473 /nfs/dbraw/zinc/07/64/73/143076473.db2.gz MCKDMYMZTDMOHH-BBRMVZONSA-N 2 2 335.496 1.937 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000346896005 143257468 /nfs/dbraw/zinc/25/74/68/143257468.db2.gz CNJQNFPIRLSTFX-UKRRQHHQSA-N 2 2 337.468 1.527 20 0 EDADLP CCCOc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000347081297 143280222 /nfs/dbraw/zinc/28/02/22/143280222.db2.gz XUMARAQFKDMURM-UHFFFAOYSA-N 2 2 335.448 1.348 20 0 EDADLP CCCOc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000347081297 143280223 /nfs/dbraw/zinc/28/02/23/143280223.db2.gz XUMARAQFKDMURM-UHFFFAOYSA-N 2 2 335.448 1.348 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347475202 143326194 /nfs/dbraw/zinc/32/61/94/143326194.db2.gz NCMPATMYMNLRLV-MSOLQXFVSA-N 2 2 345.487 1.938 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347475202 143326195 /nfs/dbraw/zinc/32/61/95/143326195.db2.gz NCMPATMYMNLRLV-MSOLQXFVSA-N 2 2 345.487 1.938 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[C@@H](C)O1 ZINC000347508930 143330181 /nfs/dbraw/zinc/33/01/81/143330181.db2.gz VEZYWXKQDSDJEG-OAGGEKHMSA-N 2 2 349.479 1.244 20 0 EDADLP COCCOCc1ccc(C[NH+]2CCC([N@H+](C)CCO)CC2)cc1 ZINC000347811116 143366053 /nfs/dbraw/zinc/36/60/53/143366053.db2.gz KCMZPNMKXVIGNV-UHFFFAOYSA-N 2 2 336.476 1.738 20 0 EDADLP COCCOCc1ccc(C[NH+]2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000347811116 143366054 /nfs/dbraw/zinc/36/60/54/143366054.db2.gz KCMZPNMKXVIGNV-UHFFFAOYSA-N 2 2 336.476 1.738 20 0 EDADLP CO[C@@]1(C)C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000175838843 285923508 /nfs/dbraw/zinc/92/35/08/285923508.db2.gz RKJMRXNZGRFHNR-QAPCUYQASA-N 2 2 340.512 1.515 20 0 EDADLP CC[C@H](C(=O)OC)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352719072 149127638 /nfs/dbraw/zinc/12/76/38/149127638.db2.gz KORMKHXGQBBJDP-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP CC[C@H](C(=O)OC)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352719072 149127639 /nfs/dbraw/zinc/12/76/39/149127639.db2.gz KORMKHXGQBBJDP-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC1([NH3+])CCC1)c1ccccc1F ZINC000416903361 304354919 /nfs/dbraw/zinc/35/49/19/304354919.db2.gz CMJJMIQWTHCNHL-AWEZNQCLSA-N 2 2 331.395 1.829 20 0 EDADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cn1 ZINC000353047266 149266801 /nfs/dbraw/zinc/26/68/01/149266801.db2.gz MYGWRIWPRUMPIZ-MQVJKMGUSA-N 2 2 332.448 1.263 20 0 EDADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cn1 ZINC000353047266 149266803 /nfs/dbraw/zinc/26/68/03/149266803.db2.gz MYGWRIWPRUMPIZ-MQVJKMGUSA-N 2 2 332.448 1.263 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]C[C@](C)(O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000353072484 149274212 /nfs/dbraw/zinc/27/42/12/149274212.db2.gz MBKQTUJYYSYOBU-URLQWDBASA-N 2 2 336.476 1.927 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]C[C@](C)(O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000353072484 149274215 /nfs/dbraw/zinc/27/42/15/149274215.db2.gz MBKQTUJYYSYOBU-URLQWDBASA-N 2 2 336.476 1.927 20 0 EDADLP Cc1cccn2c(C[NH2+]C[C@@H]3CCCCN3S(C)(=O)=O)c[nH+]c12 ZINC000353112630 149291558 /nfs/dbraw/zinc/29/15/58/149291558.db2.gz RIWPMLWAMUFUCT-AWEZNQCLSA-N 2 2 336.461 1.546 20 0 EDADLP COc1coc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1=O ZINC000353314629 149361944 /nfs/dbraw/zinc/36/19/44/149361944.db2.gz LOOVVKCFKWANRH-XYPWUTKMSA-N 2 2 347.459 1.391 20 0 EDADLP COc1coc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1=O ZINC000353314629 149361945 /nfs/dbraw/zinc/36/19/45/149361945.db2.gz LOOVVKCFKWANRH-XYPWUTKMSA-N 2 2 347.459 1.391 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000416975280 304359102 /nfs/dbraw/zinc/35/91/02/304359102.db2.gz NMWDRNNIRICZIT-HOTGVXAUSA-N 2 2 347.463 1.235 20 0 EDADLP CC(C)n1nccc1C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354860360 150000234 /nfs/dbraw/zinc/00/02/34/150000234.db2.gz FJTYXPLBSCYKQV-ZBFHGGJFSA-N 2 2 334.443 1.900 20 0 EDADLP C[C@H]1CN(C(=O)c2cnn(C)c2C2CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354982394 150063701 /nfs/dbraw/zinc/06/37/01/150063701.db2.gz HBXFHAPWWDLELC-AWEZNQCLSA-N 2 2 345.491 1.538 20 0 EDADLP C[C@H]1CN(C(=O)c2cnn(C)c2C2CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354982394 150063705 /nfs/dbraw/zinc/06/37/05/150063705.db2.gz HBXFHAPWWDLELC-AWEZNQCLSA-N 2 2 345.491 1.538 20 0 EDADLP Cc1noc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000355079658 150107216 /nfs/dbraw/zinc/10/72/16/150107216.db2.gz CZCDJPJQBRVZDS-WFASDCNBSA-N 2 2 331.420 1.448 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355570177 150317893 /nfs/dbraw/zinc/31/78/93/150317893.db2.gz DRUFOUUMAKDWBS-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355570177 150317895 /nfs/dbraw/zinc/31/78/95/150317895.db2.gz DRUFOUUMAKDWBS-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355570177 150317897 /nfs/dbraw/zinc/31/78/97/150317897.db2.gz DRUFOUUMAKDWBS-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355570177 150317899 /nfs/dbraw/zinc/31/78/99/150317899.db2.gz DRUFOUUMAKDWBS-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000370013063 155281099 /nfs/dbraw/zinc/28/10/99/155281099.db2.gz VTFOWOWKFQDMLS-UHFFFAOYSA-N 2 2 330.436 1.798 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000370013063 155281102 /nfs/dbraw/zinc/28/11/02/155281102.db2.gz VTFOWOWKFQDMLS-UHFFFAOYSA-N 2 2 330.436 1.798 20 0 EDADLP CC[NH+]1CCN(CCNC(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000357359131 151007098 /nfs/dbraw/zinc/00/70/98/151007098.db2.gz UPSMTBGAXKAWTI-UHFFFAOYSA-N 2 2 343.475 1.489 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000357632900 151093715 /nfs/dbraw/zinc/09/37/15/151093715.db2.gz BSQJQVKZBKMYSN-HOTGVXAUSA-N 2 2 325.497 1.410 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000357632900 151093716 /nfs/dbraw/zinc/09/37/16/151093716.db2.gz BSQJQVKZBKMYSN-HOTGVXAUSA-N 2 2 325.497 1.410 20 0 EDADLP CCN(C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000357643736 151097767 /nfs/dbraw/zinc/09/77/67/151097767.db2.gz BEMIVTNXHJADGG-UHFFFAOYSA-N 2 2 325.497 1.556 20 0 EDADLP CCN(C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000357643736 151097768 /nfs/dbraw/zinc/09/77/68/151097768.db2.gz BEMIVTNXHJADGG-UHFFFAOYSA-N 2 2 325.497 1.556 20 0 EDADLP C[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000357644954 151098621 /nfs/dbraw/zinc/09/86/21/151098621.db2.gz DSQOSSWFCDTPEA-INIZCTEOSA-N 2 2 342.867 1.468 20 0 EDADLP C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000357644954 151098622 /nfs/dbraw/zinc/09/86/22/151098622.db2.gz DSQOSSWFCDTPEA-INIZCTEOSA-N 2 2 342.867 1.468 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646094 151099805 /nfs/dbraw/zinc/09/98/05/151099805.db2.gz KDYBMGVZWZKJID-JKSUJKDBSA-N 2 2 333.476 1.641 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646094 151099807 /nfs/dbraw/zinc/09/98/07/151099807.db2.gz KDYBMGVZWZKJID-JKSUJKDBSA-N 2 2 333.476 1.641 20 0 EDADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357720726 151124245 /nfs/dbraw/zinc/12/42/45/151124245.db2.gz IKNNQIUTUPGJTK-LUKYLMHMSA-N 2 2 339.524 1.941 20 0 EDADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357720726 151124248 /nfs/dbraw/zinc/12/42/48/151124248.db2.gz IKNNQIUTUPGJTK-LUKYLMHMSA-N 2 2 339.524 1.941 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358049399 151247181 /nfs/dbraw/zinc/24/71/81/151247181.db2.gz RSAFAZAGGHLQHR-KXBFYZLASA-N 3 2 344.503 1.550 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358049399 151247182 /nfs/dbraw/zinc/24/71/82/151247182.db2.gz RSAFAZAGGHLQHR-KXBFYZLASA-N 3 2 344.503 1.550 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000358105763 151272588 /nfs/dbraw/zinc/27/25/88/151272588.db2.gz YJRQGIZMJRRALL-UONOGXRCSA-N 2 2 349.479 1.194 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000358212677 151307418 /nfs/dbraw/zinc/30/74/18/151307418.db2.gz AKTAXFVKCMESHC-GOEBONIOSA-N 2 2 325.478 1.203 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000358212677 151307420 /nfs/dbraw/zinc/30/74/20/151307420.db2.gz AKTAXFVKCMESHC-GOEBONIOSA-N 2 2 325.478 1.203 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358443833 151376968 /nfs/dbraw/zinc/37/69/68/151376968.db2.gz MHKWKQUTKYXWAB-KBPBESRZSA-N 2 2 339.430 1.896 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358443833 151376973 /nfs/dbraw/zinc/37/69/73/151376973.db2.gz MHKWKQUTKYXWAB-KBPBESRZSA-N 2 2 339.430 1.896 20 0 EDADLP COC(=O)c1cccc(OCC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000358447613 151379056 /nfs/dbraw/zinc/37/90/56/151379056.db2.gz KDLQRQYRIMGJLA-UHFFFAOYSA-N 2 2 344.415 1.393 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc2c1OCO2 ZINC000360377251 152012002 /nfs/dbraw/zinc/01/20/02/152012002.db2.gz AUAPKMGQQOEQTK-UHFFFAOYSA-N 2 2 348.447 1.905 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc2c1OCO2 ZINC000360377251 152012003 /nfs/dbraw/zinc/01/20/03/152012003.db2.gz AUAPKMGQQOEQTK-UHFFFAOYSA-N 2 2 348.447 1.905 20 0 EDADLP O=C(N1CCCC[C@H]([NH+]2CCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000360440032 152044231 /nfs/dbraw/zinc/04/42/31/152044231.db2.gz AFFDOQLQDZULNR-KRWDZBQOSA-N 2 2 335.492 1.718 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360548918 152091051 /nfs/dbraw/zinc/09/10/51/152091051.db2.gz DQQGMTGNLUTYFZ-FQEVSTJZSA-N 2 2 345.487 1.915 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360548918 152091053 /nfs/dbraw/zinc/09/10/53/152091053.db2.gz DQQGMTGNLUTYFZ-FQEVSTJZSA-N 2 2 345.487 1.915 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360551629 152092902 /nfs/dbraw/zinc/09/29/02/152092902.db2.gz MFQIPFDTFAPJJZ-FZKQIMNGSA-N 2 2 330.432 1.657 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360551629 152092904 /nfs/dbraw/zinc/09/29/04/152092904.db2.gz MFQIPFDTFAPJJZ-FZKQIMNGSA-N 2 2 330.432 1.657 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000360566843 152100000 /nfs/dbraw/zinc/10/00/00/152100000.db2.gz BAWRGFXZLYBIMN-LJQANCHMSA-N 2 2 330.476 1.315 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000360566843 152100002 /nfs/dbraw/zinc/10/00/02/152100002.db2.gz BAWRGFXZLYBIMN-LJQANCHMSA-N 2 2 330.476 1.315 20 0 EDADLP COc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000360761815 152192432 /nfs/dbraw/zinc/19/24/32/152192432.db2.gz ITKZKWYFTVEGKV-AWEZNQCLSA-N 2 2 332.448 1.331 20 0 EDADLP COc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000360761815 152192434 /nfs/dbraw/zinc/19/24/34/152192434.db2.gz ITKZKWYFTVEGKV-AWEZNQCLSA-N 2 2 332.448 1.331 20 0 EDADLP CCc1c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cnn1C(C)(C)C ZINC000360898960 152245722 /nfs/dbraw/zinc/24/57/22/152245722.db2.gz ZMYCKYIOGBKWJE-UHFFFAOYSA-N 2 2 349.523 1.956 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360982652 152269978 /nfs/dbraw/zinc/26/99/78/152269978.db2.gz JQSZFPQJGHVMIN-KRWDZBQOSA-N 2 2 333.476 1.977 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360982652 152269979 /nfs/dbraw/zinc/26/99/79/152269979.db2.gz JQSZFPQJGHVMIN-KRWDZBQOSA-N 2 2 333.476 1.977 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000361125882 152313537 /nfs/dbraw/zinc/31/35/37/152313537.db2.gz UMRUJDBDSXFTDR-MRXNPFEDSA-N 2 2 347.459 1.173 20 0 EDADLP Cc1c([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000361184440 152329175 /nfs/dbraw/zinc/32/91/75/152329175.db2.gz QCIGFAOWIHQSRV-HOTGVXAUSA-N 2 2 342.491 1.862 20 0 EDADLP COc1ccccc1/C=C/C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000364108561 153147167 /nfs/dbraw/zinc/14/71/67/153147167.db2.gz QFCIHBQNHXBXTP-FNORWQNLSA-N 2 2 343.471 1.947 20 0 EDADLP COc1ccccc1/C=C/C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000364108561 153147169 /nfs/dbraw/zinc/14/71/69/153147169.db2.gz QFCIHBQNHXBXTP-FNORWQNLSA-N 2 2 343.471 1.947 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000364359851 153216224 /nfs/dbraw/zinc/21/62/24/153216224.db2.gz UVCDBRSNQUBTDR-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000364359851 153216225 /nfs/dbraw/zinc/21/62/25/153216225.db2.gz UVCDBRSNQUBTDR-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP Cc1cc(N2CCC([N@H+](C)Cc3nnnn3C)CC2)nc(C(C)C)[nH+]1 ZINC000364376632 153221146 /nfs/dbraw/zinc/22/11/46/153221146.db2.gz KNLSVNBUXTVAAP-UHFFFAOYSA-N 2 2 344.467 1.533 20 0 EDADLP Cc1cc(N2CCC([N@@H+](C)Cc3nnnn3C)CC2)nc(C(C)C)[nH+]1 ZINC000364376632 153221149 /nfs/dbraw/zinc/22/11/49/153221149.db2.gz KNLSVNBUXTVAAP-UHFFFAOYSA-N 2 2 344.467 1.533 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C2)c1 ZINC000364530217 153260848 /nfs/dbraw/zinc/26/08/48/153260848.db2.gz XIFGOHHOTWUPQF-AWEZNQCLSA-N 2 2 338.415 1.660 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C2)c1 ZINC000364530217 153260850 /nfs/dbraw/zinc/26/08/50/153260850.db2.gz XIFGOHHOTWUPQF-AWEZNQCLSA-N 2 2 338.415 1.660 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364715662 153311899 /nfs/dbraw/zinc/31/18/99/153311899.db2.gz SSQQUTKQAQHGJI-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP CNC(=O)C[N@@H+]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000367138713 154019718 /nfs/dbraw/zinc/01/97/18/154019718.db2.gz HRSSXZRKSFEULT-UHFFFAOYSA-N 2 2 333.480 1.982 20 0 EDADLP CNC(=O)C[N@H+]1CCCN(c2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000367138713 154019719 /nfs/dbraw/zinc/01/97/19/154019719.db2.gz HRSSXZRKSFEULT-UHFFFAOYSA-N 2 2 333.480 1.982 20 0 EDADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000367656466 154216524 /nfs/dbraw/zinc/21/65/24/154216524.db2.gz FTXHNTMPTAONLV-CABCVRRESA-N 2 2 334.445 1.713 20 0 EDADLP C[C@@H](O)c1ncc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000368050105 154386242 /nfs/dbraw/zinc/38/62/42/154386242.db2.gz CLPVPPZFVAGBTQ-HIFRSBDPSA-N 2 2 338.521 1.797 20 0 EDADLP C[C@@H](O)c1ncc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000368050105 154386246 /nfs/dbraw/zinc/38/62/46/154386246.db2.gz CLPVPPZFVAGBTQ-HIFRSBDPSA-N 2 2 338.521 1.797 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[NH+](C4CCC4)CC3)C2)CC1 ZINC000369372273 155000174 /nfs/dbraw/zinc/00/01/74/155000174.db2.gz HMHWUZXFPWXKEU-INIZCTEOSA-N 3 2 349.523 1.035 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[NH+](C4CCC4)CC3)C2)CC1 ZINC000369372273 155000179 /nfs/dbraw/zinc/00/01/79/155000179.db2.gz HMHWUZXFPWXKEU-INIZCTEOSA-N 3 2 349.523 1.035 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C2 ZINC000369529083 155074144 /nfs/dbraw/zinc/07/41/44/155074144.db2.gz BGQLNZPTIGEERC-MRXNPFEDSA-N 2 2 349.479 1.382 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C2 ZINC000369529083 155074147 /nfs/dbraw/zinc/07/41/47/155074147.db2.gz BGQLNZPTIGEERC-MRXNPFEDSA-N 2 2 349.479 1.382 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000370644827 155591906 /nfs/dbraw/zinc/59/19/06/155591906.db2.gz GZYYTOBHALUDFH-SFHVURJKSA-N 2 2 343.471 1.681 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](C[C@H](O)COCC(C)C)CC1 ZINC000371557407 156002282 /nfs/dbraw/zinc/00/22/82/156002282.db2.gz VBKRFIJJWKOPCL-KRWDZBQOSA-N 2 2 338.496 1.444 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+](C[C@H](O)COCC(C)C)CC1 ZINC000371557407 156002290 /nfs/dbraw/zinc/00/22/90/156002290.db2.gz VBKRFIJJWKOPCL-KRWDZBQOSA-N 2 2 338.496 1.444 20 0 EDADLP CC[N@H+](CC(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1)C1CC1 ZINC000372148845 156242982 /nfs/dbraw/zinc/24/29/82/156242982.db2.gz GVIIGPCULMKYEO-UHFFFAOYSA-N 2 2 347.507 1.983 20 0 EDADLP CC[N@@H+](CC(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1)C1CC1 ZINC000372148845 156242985 /nfs/dbraw/zinc/24/29/85/156242985.db2.gz GVIIGPCULMKYEO-UHFFFAOYSA-N 2 2 347.507 1.983 20 0 EDADLP Cc1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000374228396 157203583 /nfs/dbraw/zinc/20/35/83/157203583.db2.gz GQYUPSHJKBNIMH-HNNXBMFYSA-N 2 2 343.475 1.561 20 0 EDADLP Cc1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000374228396 157203586 /nfs/dbraw/zinc/20/35/86/157203586.db2.gz GQYUPSHJKBNIMH-HNNXBMFYSA-N 2 2 343.475 1.561 20 0 EDADLP C[N@@H+]1CCN(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1(C)C ZINC000374241089 157210343 /nfs/dbraw/zinc/21/03/43/157210343.db2.gz JMDVSNIHJADACO-UHFFFAOYSA-N 3 2 345.535 1.662 20 0 EDADLP C[N@H+]1CCN(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1(C)C ZINC000374241089 157210348 /nfs/dbraw/zinc/21/03/48/157210348.db2.gz JMDVSNIHJADACO-UHFFFAOYSA-N 3 2 345.535 1.662 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccn1 ZINC000374258581 157218341 /nfs/dbraw/zinc/21/83/41/157218341.db2.gz LNDBSIWIVYBGEN-HOTGVXAUSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccn1 ZINC000374258581 157218342 /nfs/dbraw/zinc/21/83/42/157218342.db2.gz LNDBSIWIVYBGEN-HOTGVXAUSA-N 2 2 345.491 1.953 20 0 EDADLP Cc1n[nH]c(C)c1CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374270464 157221665 /nfs/dbraw/zinc/22/16/65/157221665.db2.gz QNOYTQMOLRTHTO-CYBMUJFWSA-N 2 2 333.480 1.196 20 0 EDADLP Cc1n[nH]c(C)c1CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374270464 157221673 /nfs/dbraw/zinc/22/16/73/157221673.db2.gz QNOYTQMOLRTHTO-CYBMUJFWSA-N 2 2 333.480 1.196 20 0 EDADLP CCCn1nccc1C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000374290340 157227620 /nfs/dbraw/zinc/22/76/20/157227620.db2.gz BCUGFFGUVCPRKL-UHFFFAOYSA-N 2 2 333.480 1.247 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C(C)C ZINC000374420679 157285449 /nfs/dbraw/zinc/28/54/49/157285449.db2.gz MEIKUHIKSXMLSI-BRWVUGGUSA-N 2 2 325.497 1.815 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C(C)C ZINC000374420679 157285451 /nfs/dbraw/zinc/28/54/51/157285451.db2.gz MEIKUHIKSXMLSI-BRWVUGGUSA-N 2 2 325.497 1.815 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[NH+](C3CCC3)CC1)CCC2 ZINC000374423029 157287233 /nfs/dbraw/zinc/28/72/33/157287233.db2.gz RFWRCOBAPNPWLL-OAHLLOKOSA-N 2 2 331.464 1.949 20 0 EDADLP CCCCOC(=O)[C@H](C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374615314 157345009 /nfs/dbraw/zinc/34/50/09/157345009.db2.gz UHCPFNZWJVBBKJ-HOTGVXAUSA-N 2 2 325.497 1.819 20 0 EDADLP CCCCOC(=O)[C@H](C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374615314 157345011 /nfs/dbraw/zinc/34/50/11/157345011.db2.gz UHCPFNZWJVBBKJ-HOTGVXAUSA-N 2 2 325.497 1.819 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](Cc3cn4ccccc4n3)CC2)C(=O)C1 ZINC000374730304 157380613 /nfs/dbraw/zinc/38/06/13/157380613.db2.gz HZJTUEVTIZULAR-UHFFFAOYSA-N 2 2 327.432 1.073 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](Cc3cn4ccccc4n3)CC2)C(=O)C1 ZINC000374730304 157380616 /nfs/dbraw/zinc/38/06/16/157380616.db2.gz HZJTUEVTIZULAR-UHFFFAOYSA-N 2 2 327.432 1.073 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2noc3c2CCCC3)CC1 ZINC000376929695 157852441 /nfs/dbraw/zinc/85/24/41/157852441.db2.gz HOOSKFDMLRRBIA-UHFFFAOYSA-N 2 2 349.479 1.379 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)nc[nH+]1 ZINC000377891498 158021575 /nfs/dbraw/zinc/02/15/75/158021575.db2.gz BYHMPNHGEQCJTN-CQSZACIVSA-N 2 2 344.463 1.232 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000378265011 158124063 /nfs/dbraw/zinc/12/40/63/158124063.db2.gz SVYRNYHJHQVMKX-HOCLYGCPSA-N 2 2 334.464 1.529 20 0 EDADLP COc1ccc([C@H](NC(=O)N(C)CCC[NH3+])c2[nH+]ccn2C)cc1 ZINC000576003847 306675446 /nfs/dbraw/zinc/67/54/46/306675446.db2.gz GPHNSIFBWWBLLR-HNNXBMFYSA-N 2 2 331.420 1.508 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CCO1 ZINC000408407681 158354494 /nfs/dbraw/zinc/35/44/94/158354494.db2.gz SBYDODLXHNYJDI-BFJAYTPKSA-N 2 2 341.477 1.586 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000352214596 162055300 /nfs/dbraw/zinc/05/53/00/162055300.db2.gz RBZSMEPTFJSDRS-OAHLLOKOSA-N 2 2 337.468 1.657 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000352364291 162142010 /nfs/dbraw/zinc/14/20/10/162142010.db2.gz BMZKAMYJFMQWRA-UHFFFAOYSA-N 2 2 341.477 1.515 20 0 EDADLP CN(C)S(=O)(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000352413052 162170127 /nfs/dbraw/zinc/17/01/27/162170127.db2.gz LGYYKDZHBVIQOC-UHFFFAOYSA-N 2 2 340.493 1.290 20 0 EDADLP CC(C)[C@@H](CO)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000352424785 162174884 /nfs/dbraw/zinc/17/48/84/162174884.db2.gz HTMPCMRQVRMYGS-OAHLLOKOSA-N 2 2 340.512 1.109 20 0 EDADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352487157 162206484 /nfs/dbraw/zinc/20/64/84/162206484.db2.gz APFGGUKWTPNWNH-HIFRSBDPSA-N 2 2 328.420 1.172 20 0 EDADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000352495741 162213180 /nfs/dbraw/zinc/21/31/80/162213180.db2.gz OIYRBGWYLGOWPH-ZWKOTPCHSA-N 2 2 344.503 1.918 20 0 EDADLP COc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc(Cl)c1OC ZINC000352534975 162237699 /nfs/dbraw/zinc/23/76/99/162237699.db2.gz KTOZSZLIEWZRTH-AWEZNQCLSA-N 2 2 339.867 1.837 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)N1CC[NH+](C)CC1 ZINC000360927977 162299825 /nfs/dbraw/zinc/29/98/25/162299825.db2.gz IWFGOLLRGIVOAA-DLBZAZTESA-N 2 2 345.491 1.050 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000363066207 162312561 /nfs/dbraw/zinc/31/25/61/162312561.db2.gz MDLIETFSRJLKMC-NSHDSACASA-N 2 2 331.342 1.435 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000363066207 162312565 /nfs/dbraw/zinc/31/25/65/162312565.db2.gz MDLIETFSRJLKMC-NSHDSACASA-N 2 2 331.342 1.435 20 0 EDADLP CC(C)N(C)c1cnn([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)c(=O)c1 ZINC000365176664 162353347 /nfs/dbraw/zinc/35/33/47/162353347.db2.gz IDVDEAANIXPUCY-INIZCTEOSA-N 2 2 344.463 1.622 20 0 EDADLP CC(C)N(C)c1cnn([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)c(=O)c1 ZINC000365176664 162353351 /nfs/dbraw/zinc/35/33/51/162353351.db2.gz IDVDEAANIXPUCY-INIZCTEOSA-N 2 2 344.463 1.622 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000078541767 287294043 /nfs/dbraw/zinc/29/40/43/287294043.db2.gz ALLZGFJXLSIHOI-WBVHZDCISA-N 2 2 329.448 1.744 20 0 EDADLP C[NH+]1CCN(CCNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000078546944 287294322 /nfs/dbraw/zinc/29/43/22/287294322.db2.gz RMHNTOZLKAQQQQ-QPJJXVBHSA-N 2 2 339.443 1.249 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[NH+]2CCOCC2)c1 ZINC000261841452 292580856 /nfs/dbraw/zinc/58/08/56/292580856.db2.gz VAIVPCQRORFDJP-QRVBRYPASA-N 2 2 345.487 1.860 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@@H](C)CCC[NH3+])[NH+]2CCOCC2)c1 ZINC000416999068 292580864 /nfs/dbraw/zinc/58/08/64/292580864.db2.gz PYFKYCHIEPHOSL-WMZOPIPTSA-N 2 2 348.491 1.795 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158537647 225037111 /nfs/dbraw/zinc/03/71/11/225037111.db2.gz GPUHKROPBTZIMC-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158537647 225037114 /nfs/dbraw/zinc/03/71/14/225037114.db2.gz GPUHKROPBTZIMC-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158537647 225037117 /nfs/dbraw/zinc/03/71/17/225037117.db2.gz GPUHKROPBTZIMC-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158537647 225037120 /nfs/dbraw/zinc/03/71/20/225037120.db2.gz GPUHKROPBTZIMC-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123252816 222243674 /nfs/dbraw/zinc/24/36/74/222243674.db2.gz PYWNGFDTFPQJLZ-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123252816 222243676 /nfs/dbraw/zinc/24/36/76/222243676.db2.gz PYWNGFDTFPQJLZ-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123252816 222243677 /nfs/dbraw/zinc/24/36/77/222243677.db2.gz PYWNGFDTFPQJLZ-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123252816 222243678 /nfs/dbraw/zinc/24/36/78/222243678.db2.gz PYWNGFDTFPQJLZ-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000130684889 287497285 /nfs/dbraw/zinc/49/72/85/287497285.db2.gz XRCWKVZZKFWINJ-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP NC(=O)c1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000275484076 268349645 /nfs/dbraw/zinc/34/96/45/268349645.db2.gz QUJAGCRCNNPSSE-UHFFFAOYSA-N 2 2 331.464 1.179 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000273243284 273035334 /nfs/dbraw/zinc/03/53/34/273035334.db2.gz UQNMOONTDMXKKO-UHFFFAOYSA-N 2 2 332.448 1.897 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000273423275 273038140 /nfs/dbraw/zinc/03/81/40/273038140.db2.gz XXSSZZCKFZYGTM-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000274537314 273093822 /nfs/dbraw/zinc/09/38/22/273093822.db2.gz DBSIGBGVLYJQDC-KRWDZBQOSA-N 2 2 344.459 1.231 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000274537314 273093823 /nfs/dbraw/zinc/09/38/23/273093823.db2.gz DBSIGBGVLYJQDC-KRWDZBQOSA-N 2 2 344.459 1.231 20 0 EDADLP CC(C)C[C@@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[NH+](C)C ZINC000274730350 273098108 /nfs/dbraw/zinc/09/81/08/273098108.db2.gz HCSFQYGRFFVROS-AWEZNQCLSA-N 2 2 334.468 1.143 20 0 EDADLP C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105245240 272920119 /nfs/dbraw/zinc/92/01/19/272920119.db2.gz ONKYGJJXBRBZDB-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1nncs1 ZINC000174237967 272935476 /nfs/dbraw/zinc/93/54/76/272935476.db2.gz GXMYUOWELPZFBZ-UHFFFAOYSA-N 2 2 339.465 1.053 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000276267122 273156623 /nfs/dbraw/zinc/15/66/23/273156623.db2.gz NOZGALAXMOYVTB-GFCCVEGCSA-N 2 2 334.445 1.872 20 0 EDADLP Nc1[nH+]cnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1Cl ZINC000277288609 273187943 /nfs/dbraw/zinc/18/79/43/273187943.db2.gz BJAQZYKNNOQLPH-CYBMUJFWSA-N 2 2 333.823 1.543 20 0 EDADLP Nc1[nH+]cnc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1Cl ZINC000277288609 273187944 /nfs/dbraw/zinc/18/79/44/273187944.db2.gz BJAQZYKNNOQLPH-CYBMUJFWSA-N 2 2 333.823 1.543 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccn1 ZINC000278361205 273261262 /nfs/dbraw/zinc/26/12/62/273261262.db2.gz BLUGWRSOXNDYAT-DOTOQJQBSA-N 2 2 329.448 1.721 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccn1 ZINC000278361205 273261263 /nfs/dbraw/zinc/26/12/63/273261263.db2.gz BLUGWRSOXNDYAT-DOTOQJQBSA-N 2 2 329.448 1.721 20 0 EDADLP CCC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000280592733 273375268 /nfs/dbraw/zinc/37/52/68/273375268.db2.gz BOQZGKWDRXUVHC-OTWHNJEPSA-N 2 2 345.487 1.829 20 0 EDADLP CCC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000280592733 273375269 /nfs/dbraw/zinc/37/52/69/273375269.db2.gz BOQZGKWDRXUVHC-OTWHNJEPSA-N 2 2 345.487 1.829 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280724449 273390786 /nfs/dbraw/zinc/39/07/86/273390786.db2.gz GAUOSGILBFNOFT-BXUZGUMPSA-N 2 2 330.354 1.794 20 0 EDADLP CC(C)n1nccc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000280808562 273401136 /nfs/dbraw/zinc/40/11/36/273401136.db2.gz HVRGZJQISORWAI-UHFFFAOYSA-N 2 2 328.464 1.901 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000283919468 274011025 /nfs/dbraw/zinc/01/10/25/274011025.db2.gz KCRUFORPZVPBPL-CABCVRRESA-N 2 2 347.463 1.454 20 0 EDADLP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000351148514 274078813 /nfs/dbraw/zinc/07/88/13/274078813.db2.gz SNESXRZSYDTSQL-GUYCJALGSA-N 2 2 339.867 1.780 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)CC3 ZINC000360592890 274119479 /nfs/dbraw/zinc/11/94/79/274119479.db2.gz DBNFNWHCRGJGCG-LSDHHAIUSA-N 2 2 342.487 1.869 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)CC3 ZINC000360592890 274119480 /nfs/dbraw/zinc/11/94/80/274119480.db2.gz DBNFNWHCRGJGCG-LSDHHAIUSA-N 2 2 342.487 1.869 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284229292 274125237 /nfs/dbraw/zinc/12/52/37/274125237.db2.gz DXLAXYVLASXYID-HNNXBMFYSA-N 2 2 329.448 1.338 20 0 EDADLP COc1c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c(C)nn1C ZINC000284427232 274198107 /nfs/dbraw/zinc/19/81/07/274198107.db2.gz DJHAMISYJOSIKZ-WMLDXEAASA-N 2 2 346.479 1.643 20 0 EDADLP COc1c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c(C)nn1C ZINC000284427232 274198109 /nfs/dbraw/zinc/19/81/09/274198109.db2.gz DJHAMISYJOSIKZ-WMLDXEAASA-N 2 2 346.479 1.643 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCN1S(C)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000358231467 274249060 /nfs/dbraw/zinc/24/90/60/274249060.db2.gz TUHGGWBEOAFSEB-PBHICJAKSA-N 2 2 348.472 1.947 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000284667514 274285998 /nfs/dbraw/zinc/28/59/98/274285998.db2.gz XBOWBUVOEWWUGF-BPQIPLTHSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000284667514 274286000 /nfs/dbraw/zinc/28/60/00/274286000.db2.gz XBOWBUVOEWWUGF-BPQIPLTHSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000284667514 274286002 /nfs/dbraw/zinc/28/60/02/274286002.db2.gz XBOWBUVOEWWUGF-BPQIPLTHSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000284667514 274286005 /nfs/dbraw/zinc/28/60/05/274286005.db2.gz XBOWBUVOEWWUGF-BPQIPLTHSA-N 2 2 331.460 1.438 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1CC[NH2+]CC1(F)F)C2 ZINC000342734522 275761292 /nfs/dbraw/zinc/76/12/92/275761292.db2.gz LPEZXJIIRVYKIG-NSHDSACASA-N 2 2 326.391 1.673 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCn2cc[nH+]c2C1)CC(C)C ZINC000340002995 276118831 /nfs/dbraw/zinc/11/88/31/276118831.db2.gz VRSIPDRKFHACPP-HNNXBMFYSA-N 2 2 349.479 1.098 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000347457003 276393521 /nfs/dbraw/zinc/39/35/21/276393521.db2.gz WPKASYMNGQWOFN-KSZLIROESA-N 2 2 331.460 1.659 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000347457003 276393522 /nfs/dbraw/zinc/39/35/22/276393522.db2.gz WPKASYMNGQWOFN-KSZLIROESA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000347457003 276393523 /nfs/dbraw/zinc/39/35/23/276393523.db2.gz WPKASYMNGQWOFN-KSZLIROESA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000347457003 276393524 /nfs/dbraw/zinc/39/35/24/276393524.db2.gz WPKASYMNGQWOFN-KSZLIROESA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000377749874 277027197 /nfs/dbraw/zinc/02/71/97/277027197.db2.gz TWVDTLHEFARFFX-UHFFFAOYSA-N 3 2 334.508 1.290 20 0 EDADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000420347262 277102102 /nfs/dbraw/zinc/10/21/02/277102102.db2.gz GDMMMYSESYYOBJ-HOCLYGCPSA-N 2 2 346.475 1.385 20 0 EDADLP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1C ZINC000420347262 277102103 /nfs/dbraw/zinc/10/21/03/277102103.db2.gz GDMMMYSESYYOBJ-HOCLYGCPSA-N 2 2 346.475 1.385 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH+]1CCCC1 ZINC000352472771 277521795 /nfs/dbraw/zinc/52/17/95/277521795.db2.gz JYLUCIFLLJRAIO-FVQBIDKESA-N 2 2 334.489 1.484 20 0 EDADLP C[C@@H]([NH3+])CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417223060 277597744 /nfs/dbraw/zinc/59/77/44/277597744.db2.gz QEXMPGMECFZEIY-SECBINFHSA-N 2 2 340.225 1.633 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000286327913 287982801 /nfs/dbraw/zinc/98/28/01/287982801.db2.gz JPWGZMRFHDSYRP-ROUUACIJSA-N 2 2 341.459 1.952 20 0 EDADLP CC(C)(C)[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(N)=O ZINC000286512058 288024009 /nfs/dbraw/zinc/02/40/09/288024009.db2.gz RWAIWMFBQGXFCC-UHFFFAOYSA-N 2 2 332.492 1.785 20 0 EDADLP CC(C)(C)[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(N)=O ZINC000286512058 288024010 /nfs/dbraw/zinc/02/40/10/288024010.db2.gz RWAIWMFBQGXFCC-UHFFFAOYSA-N 2 2 332.492 1.785 20 0 EDADLP C[C@H](c1nnnn1C1CC1)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365276418 278317348 /nfs/dbraw/zinc/31/73/48/278317348.db2.gz RJGDACUGWGTGDD-CJNGLKHVSA-N 2 2 333.484 1.169 20 0 EDADLP C[C@H](c1nnnn1C1CC1)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365276418 278317350 /nfs/dbraw/zinc/31/73/50/278317350.db2.gz RJGDACUGWGTGDD-CJNGLKHVSA-N 2 2 333.484 1.169 20 0 EDADLP C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000286611499 288045633 /nfs/dbraw/zinc/04/56/33/288045633.db2.gz BVNSMMKZDKQARM-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000286611499 288045635 /nfs/dbraw/zinc/04/56/35/288045635.db2.gz BVNSMMKZDKQARM-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1C[NH+](CCCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000422913363 288161597 /nfs/dbraw/zinc/16/15/97/288161597.db2.gz PUKCLVDUFFBQIS-XYVMCAHJSA-N 3 2 325.497 1.232 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H](C)S1 ZINC000496938430 288183877 /nfs/dbraw/zinc/18/38/77/288183877.db2.gz MHQKPEVVYCZTLS-ZENOOKHLSA-N 2 2 325.478 1.686 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H](C)S1 ZINC000496938430 288183879 /nfs/dbraw/zinc/18/38/79/288183879.db2.gz MHQKPEVVYCZTLS-ZENOOKHLSA-N 2 2 325.478 1.686 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000287239304 288188705 /nfs/dbraw/zinc/18/87/05/288188705.db2.gz RBEXROPWRQPJBM-ZBFHGGJFSA-N 2 2 325.416 1.966 20 0 EDADLP CC[C@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000246806544 288259464 /nfs/dbraw/zinc/25/94/64/288259464.db2.gz KIZNHIATYCWEDE-HOCLYGCPSA-N 2 2 344.459 1.648 20 0 EDADLP CC[C@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC[N@H+]1C[C@H](C)O ZINC000246806544 288259466 /nfs/dbraw/zinc/25/94/66/288259466.db2.gz KIZNHIATYCWEDE-HOCLYGCPSA-N 2 2 344.459 1.648 20 0 EDADLP CC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1C[C@H](C)O ZINC000268202272 288278018 /nfs/dbraw/zinc/27/80/18/288278018.db2.gz YWGRLWRDDLWAMO-ZFWWWQNUSA-N 2 2 339.505 1.727 20 0 EDADLP CC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1C[C@H](C)O ZINC000268202272 288278021 /nfs/dbraw/zinc/27/80/21/288278021.db2.gz YWGRLWRDDLWAMO-ZFWWWQNUSA-N 2 2 339.505 1.727 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341434974 281285618 /nfs/dbraw/zinc/28/56/18/281285618.db2.gz SHCFAFKRZONBSW-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341434974 281285619 /nfs/dbraw/zinc/28/56/19/281285619.db2.gz SHCFAFKRZONBSW-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP COc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)c1OC ZINC000287797668 288325908 /nfs/dbraw/zinc/32/59/08/288325908.db2.gz JEAYBCVLABYILT-UHFFFAOYSA-N 2 2 349.475 1.768 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000289333196 288675410 /nfs/dbraw/zinc/67/54/10/288675410.db2.gz DXLIWSRBZNHGOA-UHFFFAOYSA-N 3 2 346.475 1.397 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000332028378 288722047 /nfs/dbraw/zinc/72/20/47/288722047.db2.gz HQRNNHHZAYMCHB-KKUMJFAQSA-N 2 2 347.463 1.165 20 0 EDADLP O=C1C[N@H+](Cc2cccc(N[C@H]3CC[NH+]4CCC[C@H]4C3)c2)CCN1 ZINC000291190748 289015313 /nfs/dbraw/zinc/01/53/13/289015313.db2.gz LZLZANGSXIOXNT-ROUUACIJSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[N@@H+](Cc2cccc(N[C@H]3CC[NH+]4CCC[C@H]4C3)c2)CCN1 ZINC000291190748 289015315 /nfs/dbraw/zinc/01/53/15/289015315.db2.gz LZLZANGSXIOXNT-ROUUACIJSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[NH+](Cc2cccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CCN1 ZINC000291190748 289015316 /nfs/dbraw/zinc/01/53/16/289015316.db2.gz LZLZANGSXIOXNT-ROUUACIJSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[NH+](Cc2cccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)CCN1 ZINC000291190748 289015319 /nfs/dbraw/zinc/01/53/19/289015319.db2.gz LZLZANGSXIOXNT-ROUUACIJSA-N 2 2 328.460 1.657 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)C(C)(C)C ZINC000376283137 289176390 /nfs/dbraw/zinc/17/63/90/289176390.db2.gz TXTOWUWTGFDVJE-OAHLLOKOSA-N 2 2 325.497 1.724 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292105058 289262397 /nfs/dbraw/zinc/26/23/97/289262397.db2.gz IJAPHAXZWZHMMB-LJQANCHMSA-N 2 2 349.450 1.691 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292105058 289262400 /nfs/dbraw/zinc/26/24/00/289262400.db2.gz IJAPHAXZWZHMMB-LJQANCHMSA-N 2 2 349.450 1.691 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292105058 289262402 /nfs/dbraw/zinc/26/24/02/289262402.db2.gz IJAPHAXZWZHMMB-LJQANCHMSA-N 2 2 349.450 1.691 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292105058 289262404 /nfs/dbraw/zinc/26/24/04/289262404.db2.gz IJAPHAXZWZHMMB-LJQANCHMSA-N 2 2 349.450 1.691 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000292177581 289282148 /nfs/dbraw/zinc/28/21/48/289282148.db2.gz QGKIUFZWCFDTBV-LJQANCHMSA-N 2 2 344.459 1.979 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000292177581 289282152 /nfs/dbraw/zinc/28/21/52/289282152.db2.gz QGKIUFZWCFDTBV-LJQANCHMSA-N 2 2 344.459 1.979 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000292177581 289282154 /nfs/dbraw/zinc/28/21/54/289282154.db2.gz QGKIUFZWCFDTBV-LJQANCHMSA-N 2 2 344.459 1.979 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000292177581 289282157 /nfs/dbraw/zinc/28/21/57/289282157.db2.gz QGKIUFZWCFDTBV-LJQANCHMSA-N 2 2 344.459 1.979 20 0 EDADLP C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000292442344 289348786 /nfs/dbraw/zinc/34/87/86/289348786.db2.gz ONFFCTNHLPUHFH-GJZGRUSLSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000292442344 289348788 /nfs/dbraw/zinc/34/87/88/289348788.db2.gz ONFFCTNHLPUHFH-GJZGRUSLSA-N 2 2 337.489 1.238 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCC[NH+]3CCOCC3(C)C)C2)C1 ZINC000458274073 290001546 /nfs/dbraw/zinc/00/15/46/290001546.db2.gz IWOSWHLLWHNEEM-SFHVURJKSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)NCC[NH+]3CCOCC3(C)C)C2)C1 ZINC000458274073 290001548 /nfs/dbraw/zinc/00/15/48/290001548.db2.gz IWOSWHLLWHNEEM-SFHVURJKSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)C2)C1 ZINC000458274073 290001550 /nfs/dbraw/zinc/00/15/50/290001550.db2.gz IWOSWHLLWHNEEM-SFHVURJKSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)C2)C1 ZINC000458274073 290001552 /nfs/dbraw/zinc/00/15/52/290001552.db2.gz IWOSWHLLWHNEEM-SFHVURJKSA-N 2 2 338.496 1.225 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cccnc3C)CC2)CC1 ZINC000422009498 447306234 /nfs/dbraw/zinc/30/62/34/447306234.db2.gz BFAKGZWOGBBWRC-UHFFFAOYSA-N 2 2 344.503 1.951 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3cccnc3C)CC2)CC1 ZINC000422009498 447306240 /nfs/dbraw/zinc/30/62/40/447306240.db2.gz BFAKGZWOGBBWRC-UHFFFAOYSA-N 2 2 344.503 1.951 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000420251382 295225579 /nfs/dbraw/zinc/22/55/79/295225579.db2.gz WOISEFTUXJNWAR-HNNXBMFYSA-N 2 2 346.479 1.291 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1c1cc(N2CCCCC2)nc[nH+]1 ZINC000420251382 295225583 /nfs/dbraw/zinc/22/55/83/295225583.db2.gz WOISEFTUXJNWAR-HNNXBMFYSA-N 2 2 346.479 1.291 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366443086 298123821 /nfs/dbraw/zinc/12/38/21/298123821.db2.gz LXXWMBCHTJGTAN-KDOFPFPSSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366443086 298123823 /nfs/dbraw/zinc/12/38/23/298123823.db2.gz LXXWMBCHTJGTAN-KDOFPFPSSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366443086 298123824 /nfs/dbraw/zinc/12/38/24/298123824.db2.gz LXXWMBCHTJGTAN-KDOFPFPSSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366443086 298123827 /nfs/dbraw/zinc/12/38/27/298123827.db2.gz LXXWMBCHTJGTAN-KDOFPFPSSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000497712313 300226374 /nfs/dbraw/zinc/22/63/74/300226374.db2.gz FXDYKSGOTADDPO-KDQZPGIASA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000497712313 300226376 /nfs/dbraw/zinc/22/63/76/300226376.db2.gz FXDYKSGOTADDPO-KDQZPGIASA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000189378743 300245783 /nfs/dbraw/zinc/24/57/83/300245783.db2.gz ZYWOZGGNQULAHM-AWEZNQCLSA-N 2 2 345.447 1.321 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000189378743 300245786 /nfs/dbraw/zinc/24/57/86/300245786.db2.gz ZYWOZGGNQULAHM-AWEZNQCLSA-N 2 2 345.447 1.321 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419872717 304702219 /nfs/dbraw/zinc/70/22/19/304702219.db2.gz LYEURYBQOSSUIQ-YMAMQOFZSA-N 2 2 347.463 1.343 20 0 EDADLP CC(C)[C@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664577841 453212933 /nfs/dbraw/zinc/21/29/33/453212933.db2.gz UWMHQFHKMQEQCM-JKSUJKDBSA-N 2 2 328.501 1.373 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000420379306 304753951 /nfs/dbraw/zinc/75/39/51/304753951.db2.gz XRASHZHDBQBHJF-NFFDBFGFSA-N 2 2 332.448 1.349 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(CO)c3)CC2)CC1 ZINC000422027640 447316407 /nfs/dbraw/zinc/31/64/07/447316407.db2.gz WMJYORBWUPGWDC-UHFFFAOYSA-N 2 2 345.487 1.811 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(CO)c3)CC2)CC1 ZINC000422027640 447316411 /nfs/dbraw/zinc/31/64/11/447316411.db2.gz WMJYORBWUPGWDC-UHFFFAOYSA-N 2 2 345.487 1.811 20 0 EDADLP C[C@H]1C[C@@H](CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664639945 453276003 /nfs/dbraw/zinc/27/60/03/453276003.db2.gz GPIOCIFSAGXDSP-HOTGVXAUSA-N 2 2 328.501 1.374 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000414733097 447319862 /nfs/dbraw/zinc/31/98/62/447319862.db2.gz CKXRRIVPXZORPX-STQMWFEESA-N 2 2 347.463 1.475 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000170785550 302940098 /nfs/dbraw/zinc/94/00/98/302940098.db2.gz YJGYEWZRUOWURS-UHFFFAOYSA-N 2 2 345.487 1.833 20 0 EDADLP CC[NH+]1CCN(CCC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000293923449 303038944 /nfs/dbraw/zinc/03/89/44/303038944.db2.gz XMIAGZXVRNQJTD-KRWDZBQOSA-N 2 2 346.454 1.650 20 0 EDADLP C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000296041087 303291353 /nfs/dbraw/zinc/29/13/53/303291353.db2.gz FEQTXHOXMGORLZ-MAUKXSAKSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H]1[C@H](O)CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000296041087 303291356 /nfs/dbraw/zinc/29/13/56/303291356.db2.gz FEQTXHOXMGORLZ-MAUKXSAKSA-N 2 2 347.459 1.303 20 0 EDADLP CCn1nc(C)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000296346726 303312188 /nfs/dbraw/zinc/31/21/88/303312188.db2.gz IQIBXAKEBVLRBY-UHFFFAOYSA-N 2 2 329.448 1.728 20 0 EDADLP Cc1cc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cn2cc[nH+]c12 ZINC000297022618 303354611 /nfs/dbraw/zinc/35/46/11/303354611.db2.gz QKUNSSWECMUXKQ-UHFFFAOYSA-N 2 2 329.404 1.629 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccsc1 ZINC000297022139 303354615 /nfs/dbraw/zinc/35/46/15/303354615.db2.gz UKLMDNNORVNUIX-JKSUJKDBSA-N 2 2 337.489 1.722 20 0 EDADLP c1nc(N2CC[NH+](C3CCCCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000301897510 303702160 /nfs/dbraw/zinc/70/21/60/303702160.db2.gz VUJLWJGQOZAKLN-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP CNc1nc(N2CCO[C@@H](C[NH+](C)C)C2)[nH+]cc1Br ZINC000302100237 303712730 /nfs/dbraw/zinc/71/27/30/303712730.db2.gz LBQWEHXJVSHVBZ-VIFPVBQESA-N 2 2 330.230 1.048 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(C)[nH+]1 ZINC000411132002 303885514 /nfs/dbraw/zinc/88/55/14/303885514.db2.gz XIKRPMLCFWSFDO-CQSZACIVSA-N 2 2 344.415 1.957 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423469847 304897081 /nfs/dbraw/zinc/89/70/81/304897081.db2.gz KWOFQKMBIUOXPS-CQSZACIVSA-N 2 2 349.479 1.400 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423573193 304899109 /nfs/dbraw/zinc/89/91/09/304899109.db2.gz ZDUPRACNKIHULC-ZFWWWQNUSA-N 2 2 325.478 1.730 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000423744312 304907480 /nfs/dbraw/zinc/90/74/80/304907480.db2.gz NSSLIWBEZKQBGB-WMLDXEAASA-N 2 2 335.423 1.409 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000423920098 304916620 /nfs/dbraw/zinc/91/66/20/304916620.db2.gz VAGAQBGXNMTZJX-INIZCTEOSA-N 2 2 327.432 1.514 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)C[NH2+]CCOC)ccc2n1C1CC1 ZINC000423935204 304919510 /nfs/dbraw/zinc/91/95/10/304919510.db2.gz ZCGMEGLNONKGJP-UHFFFAOYSA-N 2 2 330.432 1.786 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C2CC2)cc1 ZINC000428039372 305005137 /nfs/dbraw/zinc/00/51/37/305005137.db2.gz RMYNVDWVVBSAOR-VQIMIIECSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C2CC2)cc1 ZINC000428039372 305005138 /nfs/dbraw/zinc/00/51/38/305005138.db2.gz RMYNVDWVVBSAOR-VQIMIIECSA-N 2 2 343.471 1.870 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000428041973 305005166 /nfs/dbraw/zinc/00/51/66/305005166.db2.gz SYRYEVJDHTZOPM-AOIWGVFYSA-N 2 2 342.487 1.313 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000428041973 305005167 /nfs/dbraw/zinc/00/51/67/305005167.db2.gz SYRYEVJDHTZOPM-AOIWGVFYSA-N 2 2 342.487 1.313 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041959 305005272 /nfs/dbraw/zinc/00/52/72/305005272.db2.gz AMIAXDUKTPVRCW-QKPAOTATSA-N 2 2 345.443 1.015 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041959 305005273 /nfs/dbraw/zinc/00/52/73/305005273.db2.gz AMIAXDUKTPVRCW-QKPAOTATSA-N 2 2 345.443 1.015 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428049959 305005705 /nfs/dbraw/zinc/00/57/05/305005705.db2.gz QPASWIGNAWIZRS-FUHWJXTLSA-N 2 2 347.459 1.012 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428049959 305005706 /nfs/dbraw/zinc/00/57/06/305005706.db2.gz QPASWIGNAWIZRS-FUHWJXTLSA-N 2 2 347.459 1.012 20 0 EDADLP C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1C[NH3+] ZINC000430580730 305057059 /nfs/dbraw/zinc/05/70/59/305057059.db2.gz SJJBPMNELNTQKQ-IAGOWNOFSA-N 3 2 345.491 1.180 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1C[NH3+] ZINC000430580730 305057060 /nfs/dbraw/zinc/05/70/60/305057060.db2.gz SJJBPMNELNTQKQ-IAGOWNOFSA-N 3 2 345.491 1.180 20 0 EDADLP C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)[C@@H]1C[NH3+] ZINC000430580730 305057061 /nfs/dbraw/zinc/05/70/61/305057061.db2.gz SJJBPMNELNTQKQ-IAGOWNOFSA-N 2 2 345.491 1.180 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)[C@@H]1C[NH3+] ZINC000430580730 305057062 /nfs/dbraw/zinc/05/70/62/305057062.db2.gz SJJBPMNELNTQKQ-IAGOWNOFSA-N 2 2 345.491 1.180 20 0 EDADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000430607019 305058395 /nfs/dbraw/zinc/05/83/95/305058395.db2.gz YEKMRHUZDUGXNN-LBPRGKRZSA-N 2 2 337.420 1.335 20 0 EDADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)C1 ZINC000430607019 305058396 /nfs/dbraw/zinc/05/83/96/305058396.db2.gz YEKMRHUZDUGXNN-LBPRGKRZSA-N 2 2 337.420 1.335 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000430622408 305059621 /nfs/dbraw/zinc/05/96/21/305059621.db2.gz LPUOGPYYRMWVOV-UHFFFAOYSA-N 2 2 337.420 1.336 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2CCC[NH2+]CC2)cc(OC)c1OC ZINC000430622408 305059622 /nfs/dbraw/zinc/05/96/22/305059622.db2.gz LPUOGPYYRMWVOV-UHFFFAOYSA-N 2 2 337.420 1.336 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC([NH3+])CC2)CC1 ZINC000430624416 305059795 /nfs/dbraw/zinc/05/97/95/305059795.db2.gz IJFQLYDCGLYEPY-UHFFFAOYSA-N 3 2 330.476 1.062 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000430630668 305060172 /nfs/dbraw/zinc/06/01/72/305060172.db2.gz RVNJWGNRTATDFD-UHFFFAOYSA-N 2 2 332.379 1.344 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000430630668 305060173 /nfs/dbraw/zinc/06/01/73/305060173.db2.gz RVNJWGNRTATDFD-UHFFFAOYSA-N 2 2 332.379 1.344 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC([NH3+])CC1 ZINC000430645034 305061064 /nfs/dbraw/zinc/06/10/64/305061064.db2.gz UOTJUJJIFCAYEB-UKRRQHHQSA-N 2 2 333.432 1.096 20 0 EDADLP O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000430909814 305067616 /nfs/dbraw/zinc/06/76/16/305067616.db2.gz CDTRLALOGUKUEW-AWEZNQCLSA-N 2 2 338.415 1.871 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430916203 305067796 /nfs/dbraw/zinc/06/77/96/305067796.db2.gz GTMFDAZXIWSQDN-OAHLLOKOSA-N 2 2 327.432 1.708 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430916203 305067797 /nfs/dbraw/zinc/06/77/97/305067797.db2.gz GTMFDAZXIWSQDN-OAHLLOKOSA-N 2 2 327.432 1.708 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430921749 305068265 /nfs/dbraw/zinc/06/82/65/305068265.db2.gz ZKHRTCZFWDIFBK-YJBOKZPZSA-N 2 2 333.476 1.974 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430921749 305068266 /nfs/dbraw/zinc/06/82/66/305068266.db2.gz ZKHRTCZFWDIFBK-YJBOKZPZSA-N 2 2 333.476 1.974 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430922557 305068383 /nfs/dbraw/zinc/06/83/83/305068383.db2.gz BEYIRKKRJAKKOY-OAHLLOKOSA-N 2 2 335.448 1.204 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430922557 305068384 /nfs/dbraw/zinc/06/83/84/305068384.db2.gz BEYIRKKRJAKKOY-OAHLLOKOSA-N 2 2 335.448 1.204 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000430958062 305070958 /nfs/dbraw/zinc/07/09/58/305070958.db2.gz WIWPAPSUCNJTFI-AYMQEEERSA-N 2 2 349.475 1.939 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000430958062 305070959 /nfs/dbraw/zinc/07/09/59/305070959.db2.gz WIWPAPSUCNJTFI-AYMQEEERSA-N 2 2 349.475 1.939 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432115232 305087428 /nfs/dbraw/zinc/08/74/28/305087428.db2.gz MEJMMAMMYFYSNC-MRXNPFEDSA-N 2 2 348.491 1.942 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432115232 305087429 /nfs/dbraw/zinc/08/74/29/305087429.db2.gz MEJMMAMMYFYSNC-MRXNPFEDSA-N 2 2 348.491 1.942 20 0 EDADLP CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433861970 305114016 /nfs/dbraw/zinc/11/40/16/305114016.db2.gz HJGZGONFRZGQTM-UHFFFAOYSA-N 2 2 336.461 1.656 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC1([NH+]2CCOCC2)CC1)C(C)C ZINC000433928463 305114774 /nfs/dbraw/zinc/11/47/74/305114774.db2.gz ZWRVLKPRGZOUAE-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP CC[NH+](CC)CC1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000434087614 305117759 /nfs/dbraw/zinc/11/77/59/305117759.db2.gz AOVASEYLLXIQJE-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP CC[NH+](CC)CC1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000434087614 305117760 /nfs/dbraw/zinc/11/77/60/305117760.db2.gz AOVASEYLLXIQJE-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435383718 305139511 /nfs/dbraw/zinc/13/95/11/305139511.db2.gz IVEDKZBUBOEGPQ-KRWDZBQOSA-N 2 2 331.460 1.775 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435383718 305139512 /nfs/dbraw/zinc/13/95/12/305139512.db2.gz IVEDKZBUBOEGPQ-KRWDZBQOSA-N 2 2 331.460 1.775 20 0 EDADLP CCOc1cc(C[NH+]2CCC([NH3+])CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000435380224 305139565 /nfs/dbraw/zinc/13/95/65/305139565.db2.gz QDRSALIWEDLQNI-AWEZNQCLSA-N 2 2 349.475 1.864 20 0 EDADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000435387722 305139829 /nfs/dbraw/zinc/13/98/29/305139829.db2.gz BFZWKCZIIYBMSX-QGZVFWFLSA-N 3 2 332.496 1.192 20 0 EDADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000435387722 305139830 /nfs/dbraw/zinc/13/98/30/305139830.db2.gz BFZWKCZIIYBMSX-QGZVFWFLSA-N 3 2 332.496 1.192 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)COCC1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435564194 305142519 /nfs/dbraw/zinc/14/25/19/305142519.db2.gz GQTHCFLJROHATO-HNNXBMFYSA-N 2 2 332.448 1.317 20 0 EDADLP CC(C)COCCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435567642 305142558 /nfs/dbraw/zinc/14/25/58/305142558.db2.gz DRODPVKDSHKTAR-INIZCTEOSA-N 2 2 348.491 1.954 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1ncoc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435567294 305142698 /nfs/dbraw/zinc/14/26/98/305142698.db2.gz YZCCPMQBGGTOQQ-AWEZNQCLSA-N 2 2 343.431 1.984 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435619622 305143476 /nfs/dbraw/zinc/14/34/76/305143476.db2.gz ZGGMCYUTWKEBNR-LJQANCHMSA-N 3 2 344.503 1.405 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435619622 305143477 /nfs/dbraw/zinc/14/34/77/305143477.db2.gz ZGGMCYUTWKEBNR-LJQANCHMSA-N 3 2 344.503 1.405 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000436054374 305151465 /nfs/dbraw/zinc/15/14/65/305151465.db2.gz VIJLNCKZDIKFBV-JKSUJKDBSA-N 2 2 346.475 1.140 20 0 EDADLP COCC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000436090505 305152179 /nfs/dbraw/zinc/15/21/79/305152179.db2.gz LXELDJGOBHPGOK-UHFFFAOYSA-N 2 2 325.478 1.407 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1C ZINC000436481151 305158351 /nfs/dbraw/zinc/15/83/51/305158351.db2.gz QMEHPHWWHJPUPV-INIZCTEOSA-N 2 2 341.459 1.624 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ncnn2CCF)[C@@H](C)C1 ZINC000440531721 305209513 /nfs/dbraw/zinc/20/95/13/305209513.db2.gz CUWYMKXMPLVPMZ-GJZGRUSLSA-N 2 2 327.448 1.474 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ncnn2CCF)[C@@H](C)C1 ZINC000440531721 305209514 /nfs/dbraw/zinc/20/95/14/305209514.db2.gz CUWYMKXMPLVPMZ-GJZGRUSLSA-N 2 2 327.448 1.474 20 0 EDADLP Cc1ccn2cc(CNC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)[nH+]c2c1 ZINC000446290552 305262718 /nfs/dbraw/zinc/26/27/18/305262718.db2.gz YRKGIPQGLQNOAB-SIXWZSSISA-N 2 2 342.443 1.791 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000446373317 305264071 /nfs/dbraw/zinc/26/40/71/305264071.db2.gz QYCULKOAEPHTDW-JCKWVBRZSA-N 2 2 332.448 1.648 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000446373317 305264072 /nfs/dbraw/zinc/26/40/72/305264072.db2.gz QYCULKOAEPHTDW-JCKWVBRZSA-N 2 2 332.448 1.648 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)cn1 ZINC000448241260 305294010 /nfs/dbraw/zinc/29/40/10/305294010.db2.gz NPSMUANLGUJWSN-KRWDZBQOSA-N 2 2 327.432 1.154 20 0 EDADLP O=C(NCCC[NH+]1CCCC1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000448594790 305299195 /nfs/dbraw/zinc/29/91/95/305299195.db2.gz CVULXFHBMOWOHQ-UHFFFAOYSA-N 2 2 332.448 1.130 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](C)[NH2+]C3CC3)cc2)CC1 ZINC000449176125 305308910 /nfs/dbraw/zinc/30/89/10/305308910.db2.gz SBYPFJOTXOPJGV-AWEZNQCLSA-N 2 2 344.459 1.430 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449347246 305312090 /nfs/dbraw/zinc/31/20/90/305312090.db2.gz PXYORUJRPMTUPP-IBGZPJMESA-N 2 2 331.460 1.145 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449347246 305312091 /nfs/dbraw/zinc/31/20/91/305312091.db2.gz PXYORUJRPMTUPP-IBGZPJMESA-N 2 2 331.460 1.145 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC[NH+]2CCC(O)CC2)c1 ZINC000449647469 305315501 /nfs/dbraw/zinc/31/55/01/305315501.db2.gz QERHGDURWGAODM-CQSZACIVSA-N 2 2 335.448 1.459 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000456258371 447351618 /nfs/dbraw/zinc/35/16/18/447351618.db2.gz YKYUQDQKJTVRIZ-SCTDSRPQSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000456258371 447351622 /nfs/dbraw/zinc/35/16/22/447351622.db2.gz YKYUQDQKJTVRIZ-SCTDSRPQSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000456258371 447351625 /nfs/dbraw/zinc/35/16/25/447351625.db2.gz YKYUQDQKJTVRIZ-SCTDSRPQSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000456258371 447351631 /nfs/dbraw/zinc/35/16/31/447351631.db2.gz YKYUQDQKJTVRIZ-SCTDSRPQSA-N 2 2 347.503 1.811 20 0 EDADLP c1c(C[NH2+]Cc2nc(-c3ccccn3)n[nH]2)onc1C1CC[NH2+]CC1 ZINC000425896021 447353405 /nfs/dbraw/zinc/35/34/05/447353405.db2.gz MPCNLNUIKWYSDN-UHFFFAOYSA-N 2 2 339.403 1.612 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000514675787 305701947 /nfs/dbraw/zinc/70/19/47/305701947.db2.gz WYUWSOCSCICZST-CVEARBPZSA-N 2 2 346.475 1.595 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000518176485 305759669 /nfs/dbraw/zinc/75/96/69/305759669.db2.gz VPBDHQCRIDVMRU-YJBOKZPZSA-N 3 2 336.524 1.569 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC1CC[NH+](CC)CC1)[NH+]1CCOCC1 ZINC000519800130 305775007 /nfs/dbraw/zinc/77/50/07/305775007.db2.gz XCRAUYCZOKTZCU-SFHVURJKSA-N 2 2 339.524 1.972 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)ccn12 ZINC000520606569 305781167 /nfs/dbraw/zinc/78/11/67/305781167.db2.gz QRGUZGZKLBDHHU-MRXNPFEDSA-N 2 2 330.432 1.729 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000528687982 305884413 /nfs/dbraw/zinc/88/44/13/305884413.db2.gz RUUWTOPHMLVJOG-HNNXBMFYSA-N 2 2 345.447 1.633 20 0 EDADLP c1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nn1-c1ccccc1 ZINC000530239415 305935415 /nfs/dbraw/zinc/93/54/15/305935415.db2.gz FRNZEDQNSOELRY-GOSISDBHSA-N 2 2 341.459 1.858 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532173611 305976102 /nfs/dbraw/zinc/97/61/02/305976102.db2.gz XCVGCZKQQIHJEA-IRXDYDNUSA-N 2 2 349.479 1.606 20 0 EDADLP CC1(C)CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000533564874 306001087 /nfs/dbraw/zinc/00/10/87/306001087.db2.gz MLVQLHOXBDAMEV-IAGOWNOFSA-N 2 2 337.508 1.726 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(C)nc3)CC2)CC1 ZINC000536656740 306024628 /nfs/dbraw/zinc/02/46/28/306024628.db2.gz BIWVCEPBWJKQTN-UHFFFAOYSA-N 2 2 345.491 1.551 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(N2CCCC2)nc1 ZINC000537691884 306028846 /nfs/dbraw/zinc/02/88/46/306028846.db2.gz CTHUNWGYWMXKPI-KURKYZTESA-N 2 2 345.491 1.760 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(N2CCCC2)nc1 ZINC000537691884 306028847 /nfs/dbraw/zinc/02/88/47/306028847.db2.gz CTHUNWGYWMXKPI-KURKYZTESA-N 2 2 345.491 1.760 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000542312564 306052987 /nfs/dbraw/zinc/05/29/87/306052987.db2.gz YLPCLOYTRDBINT-DOTOQJQBSA-N 2 2 343.475 1.704 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000542312564 306052988 /nfs/dbraw/zinc/05/29/88/306052988.db2.gz YLPCLOYTRDBINT-DOTOQJQBSA-N 2 2 343.475 1.704 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)Cn1c[nH+]c3c1CCCC3)CCC2 ZINC000543692548 306066873 /nfs/dbraw/zinc/06/68/73/306066873.db2.gz JXUXNKGPFCKYGP-AWEZNQCLSA-N 2 2 327.432 1.961 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000547629778 306105796 /nfs/dbraw/zinc/10/57/96/306105796.db2.gz ZXBXXRVEPNJASS-CVEARBPZSA-N 2 2 345.422 1.939 20 0 EDADLP CC1CC[NH+]([C@@H](C[NH2+]CCC(=O)NC(N)=O)c2ccccc2)CC1 ZINC000548832112 306139454 /nfs/dbraw/zinc/13/94/54/306139454.db2.gz FOYJQSCDECDXTP-INIZCTEOSA-N 2 2 332.448 1.634 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cn2cc[nH+]c12 ZINC000550693515 306153639 /nfs/dbraw/zinc/15/36/39/306153639.db2.gz OODRVDHMVPPKAS-UHFFFAOYSA-N 2 2 340.387 1.374 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553005421 306181881 /nfs/dbraw/zinc/18/18/81/306181881.db2.gz MHYKCJZOMXGMFM-OAHLLOKOSA-N 2 2 339.443 1.621 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000557522548 306228901 /nfs/dbraw/zinc/22/89/01/306228901.db2.gz AUKPSCUTPOBXAZ-MSOLQXFVSA-N 2 2 344.503 1.654 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000456345226 447368212 /nfs/dbraw/zinc/36/82/12/447368212.db2.gz HXBVYGALXSYQAT-QGZVFWFLSA-N 2 2 347.507 1.575 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000456345226 447368215 /nfs/dbraw/zinc/36/82/15/447368215.db2.gz HXBVYGALXSYQAT-QGZVFWFLSA-N 2 2 347.507 1.575 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000414950554 447370350 /nfs/dbraw/zinc/37/03/50/447370350.db2.gz FKBDDIKDOBTBFN-DNVCBOLYSA-N 2 2 346.475 1.967 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493696122 447371350 /nfs/dbraw/zinc/37/13/50/447371350.db2.gz WOMIYEDVOLZAQG-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493696122 447371355 /nfs/dbraw/zinc/37/13/55/447371355.db2.gz WOMIYEDVOLZAQG-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP Cc1cccn2c(C[NH2+]C[C@@H](N3CC[NH2+]CC3)C(F)(F)F)c[nH+]c12 ZINC000414968777 447378489 /nfs/dbraw/zinc/37/84/89/447378489.db2.gz GKOBVCVFLCHHTB-CQSZACIVSA-N 3 2 341.381 1.568 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+](CCOC(C)C)CC2)cc(C)[nH+]1 ZINC000422196893 447399964 /nfs/dbraw/zinc/39/99/64/447399964.db2.gz ASPHGBNZEUTYPB-UHFFFAOYSA-N 2 2 334.464 1.951 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3cc(C)[nH+]c(C)c3)C2)CC1 ZINC000422199379 447400886 /nfs/dbraw/zinc/40/08/86/447400886.db2.gz DLQWBMLOJCPNMZ-SFHVURJKSA-N 2 2 345.491 1.620 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000378298309 447415190 /nfs/dbraw/zinc/41/51/90/447415190.db2.gz YEHDAYWVCNPMKU-GDBMZVCRSA-N 2 2 349.479 1.410 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000378298309 447415198 /nfs/dbraw/zinc/41/51/98/447415198.db2.gz YEHDAYWVCNPMKU-GDBMZVCRSA-N 2 2 349.479 1.410 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000378298309 447415202 /nfs/dbraw/zinc/41/52/02/447415202.db2.gz YEHDAYWVCNPMKU-GDBMZVCRSA-N 2 2 349.479 1.410 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000378298309 447415210 /nfs/dbraw/zinc/41/52/10/447415210.db2.gz YEHDAYWVCNPMKU-GDBMZVCRSA-N 2 2 349.479 1.410 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)O1 ZINC000047434579 441188592 /nfs/dbraw/zinc/18/85/92/441188592.db2.gz XLYHGZYZQHWXRI-GASCZTMLSA-N 2 2 343.431 1.496 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)O1 ZINC000047434579 441188595 /nfs/dbraw/zinc/18/85/95/441188595.db2.gz XLYHGZYZQHWXRI-GASCZTMLSA-N 2 2 343.431 1.496 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000047105592 441156172 /nfs/dbraw/zinc/15/61/72/441156172.db2.gz MJVIWNPVXQLGDO-HZPDHXFCSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000047105592 441156174 /nfs/dbraw/zinc/15/61/74/441156174.db2.gz MJVIWNPVXQLGDO-HZPDHXFCSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[NH+](C2CC2)CC1 ZINC000105121208 441235945 /nfs/dbraw/zinc/23/59/45/441235945.db2.gz XWVZUBWYJYIZAY-UHFFFAOYSA-N 2 2 326.404 1.257 20 0 EDADLP COC(=O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000081156082 441236322 /nfs/dbraw/zinc/23/63/22/441236322.db2.gz ZFIMNBAHLDRIGI-UHFFFAOYSA-N 2 2 347.459 1.120 20 0 EDADLP COC(=O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000081156082 441236326 /nfs/dbraw/zinc/23/63/26/441236326.db2.gz ZFIMNBAHLDRIGI-UHFFFAOYSA-N 2 2 347.459 1.120 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000080961743 441212876 /nfs/dbraw/zinc/21/28/76/441212876.db2.gz IIVQSEVQCQMAJP-JYJNAYRXSA-N 2 2 332.448 1.759 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000080961743 441212880 /nfs/dbraw/zinc/21/28/80/441212880.db2.gz IIVQSEVQCQMAJP-JYJNAYRXSA-N 2 2 332.448 1.759 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415436990 447438513 /nfs/dbraw/zinc/43/85/13/447438513.db2.gz KIXQWYKILPXFRG-KBPBESRZSA-N 2 2 341.415 1.397 20 0 EDADLP Cc1nc2[nH]ccc2c(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[nH+]1 ZINC000080984453 441217380 /nfs/dbraw/zinc/21/73/80/441217380.db2.gz XSNYJTPITWLDEX-AWEZNQCLSA-N 2 2 330.436 1.621 20 0 EDADLP Cc1nc2[nH]ccc2c(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[nH+]1 ZINC000080984453 441217385 /nfs/dbraw/zinc/21/73/85/441217385.db2.gz XSNYJTPITWLDEX-AWEZNQCLSA-N 2 2 330.436 1.621 20 0 EDADLP C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105300088 441249147 /nfs/dbraw/zinc/24/91/47/441249147.db2.gz RJDUBPLKPMRGPG-HZPDHXFCSA-N 2 2 347.463 1.022 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000048162975 441266540 /nfs/dbraw/zinc/26/65/40/441266540.db2.gz GKVABRVTSBIQTC-UHFFFAOYSA-N 2 2 347.507 1.432 20 0 EDADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000072864072 441270804 /nfs/dbraw/zinc/27/08/04/441270804.db2.gz UDJKWNSDTWAMGF-UHFFFAOYSA-N 2 2 343.431 1.593 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)CC1 ZINC000106479123 441346597 /nfs/dbraw/zinc/34/65/97/441346597.db2.gz GALJSIMWWDUIAR-KRWDZBQOSA-N 2 2 344.507 1.683 20 0 EDADLP Cn1ncc2c1nc[nH+]c2SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000028761948 441436724 /nfs/dbraw/zinc/43/67/24/441436724.db2.gz OSAKMPSVCODGES-UHFFFAOYSA-N 2 2 346.460 1.198 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755581 441504948 /nfs/dbraw/zinc/50/49/48/441504948.db2.gz BURZQHATNYCVLV-WMZOPIPTSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755581 441504955 /nfs/dbraw/zinc/50/49/55/441504955.db2.gz BURZQHATNYCVLV-WMZOPIPTSA-N 2 2 336.524 1.536 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000075894060 441565955 /nfs/dbraw/zinc/56/59/55/441565955.db2.gz IHPLGKHFMVTBEB-OWCLPIDISA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000075894060 441565958 /nfs/dbraw/zinc/56/59/58/441565958.db2.gz IHPLGKHFMVTBEB-OWCLPIDISA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000075894060 441565959 /nfs/dbraw/zinc/56/59/59/441565959.db2.gz IHPLGKHFMVTBEB-OWCLPIDISA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000075894060 441565961 /nfs/dbraw/zinc/56/59/61/441565961.db2.gz IHPLGKHFMVTBEB-OWCLPIDISA-N 2 2 343.537 1.285 20 0 EDADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3CN(C4CC4)CCO3)CC2)nc1 ZINC000089682479 441570401 /nfs/dbraw/zinc/57/04/01/441570401.db2.gz CEAXDZPFSNCELE-IBGZPJMESA-N 2 2 330.476 1.499 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066915264 441585064 /nfs/dbraw/zinc/58/50/64/441585064.db2.gz LZPTYOGFRPVUBD-NCOADZHNSA-N 2 2 325.497 1.721 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066915264 441585067 /nfs/dbraw/zinc/58/50/67/441585067.db2.gz LZPTYOGFRPVUBD-NCOADZHNSA-N 2 2 325.497 1.721 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3COc4ccccc43)CC2)CC1 ZINC000113160447 441585244 /nfs/dbraw/zinc/58/52/44/441585244.db2.gz GMEHPWHGANPZPW-SFHVURJKSA-N 2 2 343.471 1.837 20 0 EDADLP COCCCNC(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110134 441599603 /nfs/dbraw/zinc/59/96/03/441599603.db2.gz WZAMZQANGYKDOY-GOSISDBHSA-N 2 2 333.476 1.593 20 0 EDADLP COCCCNC(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110134 441599606 /nfs/dbraw/zinc/59/96/06/441599606.db2.gz WZAMZQANGYKDOY-GOSISDBHSA-N 2 2 333.476 1.593 20 0 EDADLP COCCCNC(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110134 441599609 /nfs/dbraw/zinc/59/96/09/441599609.db2.gz WZAMZQANGYKDOY-GOSISDBHSA-N 2 2 333.476 1.593 20 0 EDADLP COCCCNC(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110134 441599613 /nfs/dbraw/zinc/59/96/13/441599613.db2.gz WZAMZQANGYKDOY-GOSISDBHSA-N 2 2 333.476 1.593 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076269278 441620391 /nfs/dbraw/zinc/62/03/91/441620391.db2.gz QARZSUDDRZFNKO-LBPRGKRZSA-N 2 2 345.447 1.667 20 0 EDADLP CCNC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000090412231 441628353 /nfs/dbraw/zinc/62/83/53/441628353.db2.gz FYIKZFVPSSJDTL-QGZVFWFLSA-N 2 2 331.464 1.439 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000076334122 441631306 /nfs/dbraw/zinc/63/13/06/441631306.db2.gz WPRQDUFYWBDGRV-UHFFFAOYSA-N 2 2 334.420 1.409 20 0 EDADLP C[C@H]1C[NH+](Cc2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2)C[C@H](C)O1 ZINC000114125454 441636681 /nfs/dbraw/zinc/63/66/81/441636681.db2.gz VHCILHDVZFLODA-KBPBESRZSA-N 2 2 328.416 1.949 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)O ZINC000114204396 441641782 /nfs/dbraw/zinc/64/17/82/441641782.db2.gz XADXGTNZFLVKEQ-UHFFFAOYSA-N 2 2 349.475 1.550 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)O ZINC000114204396 441641786 /nfs/dbraw/zinc/64/17/86/441641786.db2.gz XADXGTNZFLVKEQ-UHFFFAOYSA-N 2 2 349.475 1.550 20 0 EDADLP CC(C)[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000114729251 441680121 /nfs/dbraw/zinc/68/01/21/441680121.db2.gz VQZSSFFETLQSTN-KRWDZBQOSA-N 2 2 339.524 1.972 20 0 EDADLP CC(C)[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000114729251 441680123 /nfs/dbraw/zinc/68/01/23/441680123.db2.gz VQZSSFFETLQSTN-KRWDZBQOSA-N 2 2 339.524 1.972 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000158276153 441716581 /nfs/dbraw/zinc/71/65/81/441716581.db2.gz CJCUORXXNVJZJM-GJZGRUSLSA-N 2 2 337.468 1.095 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173410093 441738827 /nfs/dbraw/zinc/73/88/27/441738827.db2.gz QFXVEZPSYUOJES-QGZVFWFLSA-N 2 2 338.496 1.225 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173410093 441738831 /nfs/dbraw/zinc/73/88/31/441738831.db2.gz QFXVEZPSYUOJES-QGZVFWFLSA-N 2 2 338.496 1.225 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158978033 441778747 /nfs/dbraw/zinc/77/87/47/441778747.db2.gz YNKZVMIEHMKXEL-ARFHVFGLSA-N 2 2 333.480 1.780 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158978033 441778751 /nfs/dbraw/zinc/77/87/51/441778751.db2.gz YNKZVMIEHMKXEL-ARFHVFGLSA-N 2 2 333.480 1.780 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158978033 441778760 /nfs/dbraw/zinc/77/87/60/441778760.db2.gz YNKZVMIEHMKXEL-ARFHVFGLSA-N 2 2 333.480 1.780 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158978033 441778765 /nfs/dbraw/zinc/77/87/65/441778765.db2.gz YNKZVMIEHMKXEL-ARFHVFGLSA-N 2 2 333.480 1.780 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(=O)OC ZINC000173529205 441780123 /nfs/dbraw/zinc/78/01/23/441780123.db2.gz HPQQHOADSIKWLT-KQTLUZQSSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(=O)OC ZINC000173529205 441780133 /nfs/dbraw/zinc/78/01/33/441780133.db2.gz HPQQHOADSIKWLT-KQTLUZQSSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC ZINC000173529205 441780140 /nfs/dbraw/zinc/78/01/40/441780140.db2.gz HPQQHOADSIKWLT-KQTLUZQSSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC ZINC000173529205 441780148 /nfs/dbraw/zinc/78/01/48/441780148.db2.gz HPQQHOADSIKWLT-KQTLUZQSSA-N 2 2 327.469 1.105 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173952775 441867921 /nfs/dbraw/zinc/86/79/21/441867921.db2.gz BMKXAGJADBSYDM-KRWDZBQOSA-N 2 2 341.459 1.706 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)cn1 ZINC000092738481 441824796 /nfs/dbraw/zinc/82/47/96/441824796.db2.gz XNFHVCGLMULETN-OAHLLOKOSA-N 2 2 344.438 1.874 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000139874117 441829707 /nfs/dbraw/zinc/82/97/07/441829707.db2.gz XGMMXASMCYLCMO-OAHLLOKOSA-N 2 2 335.448 1.394 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000139874117 441829711 /nfs/dbraw/zinc/82/97/11/441829711.db2.gz XGMMXASMCYLCMO-OAHLLOKOSA-N 2 2 335.448 1.394 20 0 EDADLP COC(=O)[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000093083390 441856804 /nfs/dbraw/zinc/85/68/04/441856804.db2.gz ZAXDWLUGILOZHN-GOSISDBHSA-N 2 2 348.443 1.535 20 0 EDADLP COC(=O)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000093083390 441856812 /nfs/dbraw/zinc/85/68/12/441856812.db2.gz ZAXDWLUGILOZHN-GOSISDBHSA-N 2 2 348.443 1.535 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000174197596 441901585 /nfs/dbraw/zinc/90/15/85/441901585.db2.gz OBGQCNKBMPRMFE-MJGOQNOKSA-N 2 2 345.487 1.860 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000174197596 441901592 /nfs/dbraw/zinc/90/15/92/441901592.db2.gz OBGQCNKBMPRMFE-MJGOQNOKSA-N 2 2 345.487 1.860 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000119156166 441920336 /nfs/dbraw/zinc/92/03/36/441920336.db2.gz FEISFGMTSRWTNP-ZDUSSCGKSA-N 2 2 341.415 1.584 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1C ZINC000093821080 441896487 /nfs/dbraw/zinc/89/64/87/441896487.db2.gz NWQSGBHEPOSVPV-KRWDZBQOSA-N 2 2 333.480 1.258 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1C ZINC000093821080 441896493 /nfs/dbraw/zinc/89/64/93/441896493.db2.gz NWQSGBHEPOSVPV-KRWDZBQOSA-N 2 2 333.480 1.258 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)Nc3nccs3)C2)CC1 ZINC000174885095 441978034 /nfs/dbraw/zinc/97/80/34/441978034.db2.gz XKASCSVMXORJSR-CQSZACIVSA-N 2 2 337.493 1.184 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)Nc3nccs3)C2)CC1 ZINC000174885095 441978038 /nfs/dbraw/zinc/97/80/38/441978038.db2.gz XKASCSVMXORJSR-CQSZACIVSA-N 2 2 337.493 1.184 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786500 441951218 /nfs/dbraw/zinc/95/12/18/441951218.db2.gz IWYQRECKMNIKAT-QGZVFWFLSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786500 441951226 /nfs/dbraw/zinc/95/12/26/441951226.db2.gz IWYQRECKMNIKAT-QGZVFWFLSA-N 2 2 345.487 1.867 20 0 EDADLP CSCc1nc2ccccc2n1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162301234 442081666 /nfs/dbraw/zinc/08/16/66/442081666.db2.gz QDMKDINHRTXVNQ-ZDUSSCGKSA-N 2 2 347.488 1.001 20 0 EDADLP CSCc1nc2ccccc2n1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162301234 442081670 /nfs/dbraw/zinc/08/16/70/442081670.db2.gz QDMKDINHRTXVNQ-ZDUSSCGKSA-N 2 2 347.488 1.001 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)C(C)(C)C[NH+](C)C ZINC000175814319 442128323 /nfs/dbraw/zinc/12/83/23/442128323.db2.gz LCCOHNUSLXMWTM-INIZCTEOSA-N 2 2 347.507 1.296 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000164777680 442202723 /nfs/dbraw/zinc/20/27/23/442202723.db2.gz NVGYYISXLNMMNI-JKSUJKDBSA-N 2 2 331.464 1.786 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128206760 442252609 /nfs/dbraw/zinc/25/26/09/442252609.db2.gz QERRDBZIVNBZCE-OAHLLOKOSA-N 2 2 325.416 1.825 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000170629023 442238820 /nfs/dbraw/zinc/23/88/20/442238820.db2.gz NBRZVPXDVYNYJQ-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000170629023 442238822 /nfs/dbraw/zinc/23/88/22/442238822.db2.gz NBRZVPXDVYNYJQ-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000128454253 442266981 /nfs/dbraw/zinc/26/69/81/442266981.db2.gz VTGDYHWJNIIZGP-SJORKVTESA-N 2 2 340.512 1.611 20 0 EDADLP CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000128454253 442266983 /nfs/dbraw/zinc/26/69/83/442266983.db2.gz VTGDYHWJNIIZGP-SJORKVTESA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)CN1CCOCC1 ZINC000153350457 442277195 /nfs/dbraw/zinc/27/71/95/442277195.db2.gz FFVOYJLAFOFZSO-QGZVFWFLSA-N 2 2 332.492 1.604 20 0 EDADLP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153437590 442283067 /nfs/dbraw/zinc/28/30/67/442283067.db2.gz ZJAYRVLLEJBMMU-MRXNPFEDSA-N 2 2 342.443 1.742 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1nnc(-c2ccco2)o1 ZINC000153453823 442283505 /nfs/dbraw/zinc/28/35/05/442283505.db2.gz RYPJZCPZWANCBJ-UHFFFAOYSA-N 2 2 342.359 1.802 20 0 EDADLP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000170918735 442288984 /nfs/dbraw/zinc/28/89/84/442288984.db2.gz MXPPBMGBVXDIRP-HUUCEWRRSA-N 2 2 334.464 1.979 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000170953942 442294046 /nfs/dbraw/zinc/29/40/46/442294046.db2.gz MPIBZYVITWLIBG-CQSZACIVSA-N 2 2 329.448 1.097 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000171039223 442302675 /nfs/dbraw/zinc/30/26/75/442302675.db2.gz KBBQHFXONVTXCQ-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP COCC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000171204225 442327643 /nfs/dbraw/zinc/32/76/43/442327643.db2.gz KNCDEHFYYDHLPG-UHFFFAOYSA-N 2 2 333.476 1.654 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379049 442333734 /nfs/dbraw/zinc/33/37/34/442333734.db2.gz PQMYLELBAACLAO-KRWDZBQOSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379049 442333735 /nfs/dbraw/zinc/33/37/35/442333735.db2.gz PQMYLELBAACLAO-KRWDZBQOSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177379049 442333736 /nfs/dbraw/zinc/33/37/36/442333736.db2.gz PQMYLELBAACLAO-KRWDZBQOSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177379049 442333738 /nfs/dbraw/zinc/33/37/38/442333738.db2.gz PQMYLELBAACLAO-KRWDZBQOSA-N 2 2 346.519 1.649 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177396507 442336617 /nfs/dbraw/zinc/33/66/17/442336617.db2.gz XNKLLGAGEZOHJD-HNNXBMFYSA-N 2 2 328.420 1.718 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)N1CC[NH+](C)CC1 ZINC000154608034 442347748 /nfs/dbraw/zinc/34/77/48/442347748.db2.gz UMXRDFQHTONZAV-AWEZNQCLSA-N 2 2 336.455 1.139 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCC(C)CC1 ZINC000171106131 442313612 /nfs/dbraw/zinc/31/36/12/442313612.db2.gz YDYJAKFXZHEDQY-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCC(C)CC1 ZINC000171106131 442313616 /nfs/dbraw/zinc/31/36/16/442313616.db2.gz YDYJAKFXZHEDQY-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000171644838 442366561 /nfs/dbraw/zinc/36/65/61/442366561.db2.gz QBJFFHPUFZCONP-GJZGRUSLSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000131748891 442379392 /nfs/dbraw/zinc/37/93/92/442379392.db2.gz PDCUIFRLRYSUIX-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000131748891 442379395 /nfs/dbraw/zinc/37/93/95/442379395.db2.gz PDCUIFRLRYSUIX-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000177808150 442387098 /nfs/dbraw/zinc/38/70/98/442387098.db2.gz DARREYREXYLYAA-AWEZNQCLSA-N 2 2 328.464 1.726 20 0 EDADLP CSCCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000132138600 442387797 /nfs/dbraw/zinc/38/77/97/442387797.db2.gz HRAKBJOKCHDRDL-UHFFFAOYSA-N 2 2 342.553 1.987 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000132225658 442389901 /nfs/dbraw/zinc/38/99/01/442389901.db2.gz VTLFPZAQTQIGQF-IAGOWNOFSA-N 2 2 345.491 1.074 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000132225658 442389902 /nfs/dbraw/zinc/38/99/02/442389902.db2.gz VTLFPZAQTQIGQF-IAGOWNOFSA-N 2 2 345.491 1.074 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171933293 442391676 /nfs/dbraw/zinc/39/16/76/442391676.db2.gz IIUALJREWDTUMJ-UHFFFAOYSA-N 2 2 342.399 1.945 20 0 EDADLP COC[C@@](C)(CCO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000132518594 442395086 /nfs/dbraw/zinc/39/50/86/442395086.db2.gz DDHPJTDIQWKXOW-MAUKXSAKSA-N 2 2 335.448 1.391 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000130778417 442356476 /nfs/dbraw/zinc/35/64/76/442356476.db2.gz QTTNWHVHBPZQHG-UHFFFAOYSA-N 2 2 330.388 1.881 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000130778417 442356480 /nfs/dbraw/zinc/35/64/80/442356480.db2.gz QTTNWHVHBPZQHG-UHFFFAOYSA-N 2 2 330.388 1.881 20 0 EDADLP Cn1ncc(Cl)c1CNC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000130943571 442360604 /nfs/dbraw/zinc/36/06/04/442360604.db2.gz JFOVPNZSUYQAOA-UHFFFAOYSA-N 2 2 325.888 1.722 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000155718539 442421749 /nfs/dbraw/zinc/42/17/49/442421749.db2.gz ZVFKXVBTHXBDCN-LZWOXQAQSA-N 2 2 339.505 1.953 20 0 EDADLP C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172588286 442497823 /nfs/dbraw/zinc/49/78/23/442497823.db2.gz JFLOBLZAJPKJAW-OAHLLOKOSA-N 2 2 349.500 1.895 20 0 EDADLP C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172588286 442497826 /nfs/dbraw/zinc/49/78/26/442497826.db2.gz JFLOBLZAJPKJAW-OAHLLOKOSA-N 2 2 349.500 1.895 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000178853243 442504004 /nfs/dbraw/zinc/50/40/04/442504004.db2.gz OXKWUKMTXUKAKF-HNNXBMFYSA-N 2 2 332.473 1.822 20 0 EDADLP O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157157484 442556429 /nfs/dbraw/zinc/55/64/29/442556429.db2.gz NBTYJUSOHANWSG-MRXNPFEDSA-N 2 2 329.448 1.446 20 0 EDADLP O=c1n2ccccc2nn1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157157484 442556433 /nfs/dbraw/zinc/55/64/33/442556433.db2.gz NBTYJUSOHANWSG-MRXNPFEDSA-N 2 2 329.448 1.446 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000186724247 442601330 /nfs/dbraw/zinc/60/13/30/442601330.db2.gz YLUJADBRAHUGQX-UHFFFAOYSA-N 2 2 333.480 1.185 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000186724247 442601333 /nfs/dbraw/zinc/60/13/33/442601333.db2.gz YLUJADBRAHUGQX-UHFFFAOYSA-N 2 2 333.480 1.185 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCOCC1 ZINC000173091287 442601996 /nfs/dbraw/zinc/60/19/96/442601996.db2.gz HZUWVCMKEBLDKM-KRWDZBQOSA-N 2 2 348.491 1.901 20 0 EDADLP CO[C@@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000179319662 442620300 /nfs/dbraw/zinc/62/03/00/442620300.db2.gz IHNLUQXHISUDQR-HNNXBMFYSA-N 2 2 328.501 1.373 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000192303977 442629812 /nfs/dbraw/zinc/62/98/12/442629812.db2.gz WXYADOSXGLSIAH-UHFFFAOYSA-N 2 2 346.479 1.067 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000192303977 442629817 /nfs/dbraw/zinc/62/98/17/442629817.db2.gz WXYADOSXGLSIAH-UHFFFAOYSA-N 2 2 346.479 1.067 20 0 EDADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181026536 442675796 /nfs/dbraw/zinc/67/57/96/442675796.db2.gz SXAUKTDCELADGH-MJGOQNOKSA-N 2 2 345.487 1.530 20 0 EDADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181031544 442676406 /nfs/dbraw/zinc/67/64/06/442676406.db2.gz GLVAQUYIWYZGNL-SJLPKXTDSA-N 2 2 331.460 1.579 20 0 EDADLP CCc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000181037141 442676862 /nfs/dbraw/zinc/67/68/62/442676862.db2.gz VWGJDEDKIWZQDQ-GJZGRUSLSA-N 2 2 335.448 1.426 20 0 EDADLP CCOC(=O)CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188281860 442733235 /nfs/dbraw/zinc/73/32/35/442733235.db2.gz NDOLQWCGUWCVRD-LJQANCHMSA-N 2 2 334.460 1.899 20 0 EDADLP CCOC(=O)CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188281860 442733238 /nfs/dbraw/zinc/73/32/38/442733238.db2.gz NDOLQWCGUWCVRD-LJQANCHMSA-N 2 2 334.460 1.899 20 0 EDADLP CCOC(=O)CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188281860 442733239 /nfs/dbraw/zinc/73/32/39/442733239.db2.gz NDOLQWCGUWCVRD-LJQANCHMSA-N 2 2 334.460 1.899 20 0 EDADLP CCOC(=O)CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188281860 442733242 /nfs/dbraw/zinc/73/32/42/442733242.db2.gz NDOLQWCGUWCVRD-LJQANCHMSA-N 2 2 334.460 1.899 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182161644 442741359 /nfs/dbraw/zinc/74/13/59/442741359.db2.gz PDMFVZZSBNTKMC-CYBMUJFWSA-N 2 2 334.420 1.409 20 0 EDADLP Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000182322959 442757453 /nfs/dbraw/zinc/75/74/53/442757453.db2.gz WQCNRJACAAXMLN-MRXNPFEDSA-N 2 2 333.476 1.873 20 0 EDADLP O=C(CN1CC[NH+](CCCn2cc[nH+]c2)CC1)N1CCCCCC1 ZINC000182619632 442796402 /nfs/dbraw/zinc/79/64/02/442796402.db2.gz OMEHVTZKZZIVMF-UHFFFAOYSA-N 2 2 333.480 1.293 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246340856 442774228 /nfs/dbraw/zinc/77/42/28/442774228.db2.gz HWKCJZBULNPVOA-NEPJUHHUSA-N 2 2 331.420 1.067 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246340856 442774237 /nfs/dbraw/zinc/77/42/37/442774237.db2.gz HWKCJZBULNPVOA-NEPJUHHUSA-N 2 2 331.420 1.067 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265453748 442778910 /nfs/dbraw/zinc/77/89/10/442778910.db2.gz AOXFLENJVKRJSB-HNNXBMFYSA-N 2 2 347.463 1.294 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000246819956 442815478 /nfs/dbraw/zinc/81/54/78/442815478.db2.gz VXMYFMFBNMZAOH-SJLPKXTDSA-N 2 2 345.491 1.954 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000246819956 442815482 /nfs/dbraw/zinc/81/54/82/442815482.db2.gz VXMYFMFBNMZAOH-SJLPKXTDSA-N 2 2 345.491 1.954 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000188799314 442816648 /nfs/dbraw/zinc/81/66/48/442816648.db2.gz MHDKTKZXRDMUOM-SUMWQHHRSA-N 2 2 334.439 1.538 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000188799314 442816653 /nfs/dbraw/zinc/81/66/53/442816653.db2.gz MHDKTKZXRDMUOM-SUMWQHHRSA-N 2 2 334.439 1.538 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188965208 442850597 /nfs/dbraw/zinc/85/05/97/442850597.db2.gz WDSDJIGDEJCMND-QLFBSQMISA-N 2 2 337.430 1.790 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188965208 442850600 /nfs/dbraw/zinc/85/06/00/442850600.db2.gz WDSDJIGDEJCMND-QLFBSQMISA-N 2 2 337.430 1.790 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000268122063 442856823 /nfs/dbraw/zinc/85/68/23/442856823.db2.gz HQNRZRGQIIWYSA-WMZOPIPTSA-N 2 2 347.507 1.295 20 0 EDADLP C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000248564543 442900364 /nfs/dbraw/zinc/90/03/64/442900364.db2.gz OHOAOWQMGMAGIH-OWCLPIDISA-N 2 2 325.497 1.628 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(=O)OC ZINC000248155854 442885133 /nfs/dbraw/zinc/88/51/33/442885133.db2.gz RIUHCWWVZDHBBO-MPTYRVRUSA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C(=O)OC ZINC000248155854 442885134 /nfs/dbraw/zinc/88/51/34/442885134.db2.gz RIUHCWWVZDHBBO-MPTYRVRUSA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(=O)OC ZINC000248155854 442885135 /nfs/dbraw/zinc/88/51/35/442885135.db2.gz RIUHCWWVZDHBBO-MPTYRVRUSA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(=O)OC ZINC000248155854 442885136 /nfs/dbraw/zinc/88/51/36/442885136.db2.gz RIUHCWWVZDHBBO-MPTYRVRUSA-N 2 2 339.480 1.106 20 0 EDADLP Cc1ccc(CC(=O)N2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000183170951 442894230 /nfs/dbraw/zinc/89/42/30/442894230.db2.gz ITLDIXQJQTXBDW-UHFFFAOYSA-N 2 2 326.444 1.969 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@H]3CO)CC2)c1 ZINC000248983053 442943214 /nfs/dbraw/zinc/94/32/14/442943214.db2.gz VTLDHWIAWGTHBF-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H]3CO)CC2)c1 ZINC000248983053 442943218 /nfs/dbraw/zinc/94/32/18/442943218.db2.gz VTLDHWIAWGTHBF-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000249176096 442958843 /nfs/dbraw/zinc/95/88/43/442958843.db2.gz MDYZBKRJWYHIQL-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000249176096 442958849 /nfs/dbraw/zinc/95/88/49/442958849.db2.gz MDYZBKRJWYHIQL-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000184454076 443023200 /nfs/dbraw/zinc/02/32/00/443023200.db2.gz LOXQNHNPWSIHKP-UHFFFAOYSA-N 2 2 349.460 1.208 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088017 450398278 /nfs/dbraw/zinc/39/82/78/450398278.db2.gz SNXYHSBZYSLGAA-AZUAARDMSA-N 3 2 332.536 1.980 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088017 450398280 /nfs/dbraw/zinc/39/82/80/450398280.db2.gz SNXYHSBZYSLGAA-AZUAARDMSA-N 3 2 332.536 1.980 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000266216926 443061669 /nfs/dbraw/zinc/06/16/69/443061669.db2.gz KXNJZMCUMNJLCV-HOTGVXAUSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000266216926 443061671 /nfs/dbraw/zinc/06/16/71/443061671.db2.gz KXNJZMCUMNJLCV-HOTGVXAUSA-N 2 2 342.443 1.459 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccccn3)C2)CC1 ZINC000268674933 443073027 /nfs/dbraw/zinc/07/30/27/443073027.db2.gz KZVNJMHHZUGQFL-HOTGVXAUSA-N 2 2 332.448 1.087 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccccn3)C2)CC1 ZINC000268674933 443073028 /nfs/dbraw/zinc/07/30/28/443073028.db2.gz KZVNJMHHZUGQFL-HOTGVXAUSA-N 2 2 332.448 1.087 20 0 EDADLP C[N@H+](CCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)C1CC1 ZINC000268896982 443140668 /nfs/dbraw/zinc/14/06/68/443140668.db2.gz PKMIWSYKAXKZNJ-UHFFFAOYSA-N 2 2 334.439 1.747 20 0 EDADLP C[N@@H+](CCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)C1CC1 ZINC000268896982 443140671 /nfs/dbraw/zinc/14/06/71/443140671.db2.gz PKMIWSYKAXKZNJ-UHFFFAOYSA-N 2 2 334.439 1.747 20 0 EDADLP C[C@@H]1CSCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000190429838 443106660 /nfs/dbraw/zinc/10/66/60/443106660.db2.gz SNFCTDYTCCEPEX-HNNXBMFYSA-N 2 2 337.489 1.609 20 0 EDADLP C[C@@H]1CSCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000190429838 443106662 /nfs/dbraw/zinc/10/66/62/443106662.db2.gz SNFCTDYTCCEPEX-HNNXBMFYSA-N 2 2 337.489 1.609 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cn2)CC1 ZINC000268861078 443129817 /nfs/dbraw/zinc/12/98/17/443129817.db2.gz RXJLINBUYCAOSO-OAHLLOKOSA-N 2 2 327.436 1.119 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cn2)CC1 ZINC000268861078 443129822 /nfs/dbraw/zinc/12/98/22/443129822.db2.gz RXJLINBUYCAOSO-OAHLLOKOSA-N 2 2 327.436 1.119 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)c1c(F)cccc1F ZINC000237191771 443163418 /nfs/dbraw/zinc/16/34/18/443163418.db2.gz DONOUNZQCYBDLY-SWLSCSKDSA-N 2 2 341.402 1.452 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261810557 443170320 /nfs/dbraw/zinc/17/03/20/443170320.db2.gz GRSJKRRUTNROSC-PKOBYXMFSA-N 2 2 345.487 1.874 20 0 EDADLP CC[N@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000266571628 443171504 /nfs/dbraw/zinc/17/15/04/443171504.db2.gz PHUCIMLQUPQEHH-UHFFFAOYSA-N 2 2 333.476 1.344 20 0 EDADLP CC[N@@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000266571628 443171507 /nfs/dbraw/zinc/17/15/07/443171507.db2.gz PHUCIMLQUPQEHH-UHFFFAOYSA-N 2 2 333.476 1.344 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000269108136 443199779 /nfs/dbraw/zinc/19/97/79/443199779.db2.gz MTBXSKGCTXIEFU-UHFFFAOYSA-N 2 2 347.463 1.155 20 0 EDADLP CC[N@H+]1CCCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000269108136 443199782 /nfs/dbraw/zinc/19/97/82/443199782.db2.gz MTBXSKGCTXIEFU-UHFFFAOYSA-N 2 2 347.463 1.155 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)CC[N@H+](C)C1 ZINC000413502043 319271933 /nfs/dbraw/zinc/27/19/33/319271933.db2.gz PTPWMJIDLALXLK-AWEZNQCLSA-N 2 2 333.436 1.008 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)CC[N@@H+](C)C1 ZINC000413502043 319271935 /nfs/dbraw/zinc/27/19/35/319271935.db2.gz PTPWMJIDLALXLK-AWEZNQCLSA-N 2 2 333.436 1.008 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000414082026 319315919 /nfs/dbraw/zinc/31/59/19/319315919.db2.gz VUXOAQNLVUZDTN-AAEUAGOBSA-N 2 2 328.254 1.683 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000414082026 319315920 /nfs/dbraw/zinc/31/59/20/319315920.db2.gz VUXOAQNLVUZDTN-AAEUAGOBSA-N 2 2 328.254 1.683 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414375493 319324974 /nfs/dbraw/zinc/32/49/74/319324974.db2.gz FLXIQEBLBFQFRX-QMTHXVAHSA-N 2 2 343.880 1.560 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414375493 319324976 /nfs/dbraw/zinc/32/49/76/319324976.db2.gz FLXIQEBLBFQFRX-QMTHXVAHSA-N 2 2 343.880 1.560 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000414672193 319339382 /nfs/dbraw/zinc/33/93/82/319339382.db2.gz AHRVOOVGZPWWFL-OAHLLOKOSA-N 2 2 339.505 1.803 20 0 EDADLP [NH3+][C@H]1CCc2ncc(NC(=O)NCCCNc3cccc[nH+]3)cc2C1 ZINC000415963647 319385739 /nfs/dbraw/zinc/38/57/39/319385739.db2.gz RNCCLUFTGIJLGB-AWEZNQCLSA-N 2 2 340.431 1.916 20 0 EDADLP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266880993 443277679 /nfs/dbraw/zinc/27/76/79/443277679.db2.gz AABWUDXTKZVSDJ-CYBMUJFWSA-N 2 2 339.403 1.748 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC000416854682 319467593 /nfs/dbraw/zinc/46/75/93/319467593.db2.gz PIBRQWDVUBWGOQ-JKSUJKDBSA-N 2 2 331.395 1.549 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416890328 319469812 /nfs/dbraw/zinc/46/98/12/319469812.db2.gz LOPYSKDORDJOPP-OKZBNKHCSA-N 2 2 346.475 1.487 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000416933161 319477562 /nfs/dbraw/zinc/47/75/62/319477562.db2.gz QDWJYELOEHGGAI-AWEZNQCLSA-N 2 2 347.463 1.126 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272444799 443319785 /nfs/dbraw/zinc/31/97/85/443319785.db2.gz JACPNLNWEPFBNA-YSIASYRMSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272444799 443319789 /nfs/dbraw/zinc/31/97/89/443319789.db2.gz JACPNLNWEPFBNA-YSIASYRMSA-N 3 2 331.504 1.943 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000416942027 319480547 /nfs/dbraw/zinc/48/05/47/319480547.db2.gz ARHUEVIRNIRLJH-INIZCTEOSA-N 2 2 327.432 1.525 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000264707520 443384619 /nfs/dbraw/zinc/38/46/19/443384619.db2.gz AVGHOSNXESMKRR-ZDUSSCGKSA-N 2 2 325.840 1.447 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000264707520 443384621 /nfs/dbraw/zinc/38/46/21/443384621.db2.gz AVGHOSNXESMKRR-ZDUSSCGKSA-N 2 2 325.840 1.447 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccnc(-n3cccn3)c2)CC1 ZINC000267186920 443370915 /nfs/dbraw/zinc/37/09/15/443370915.db2.gz ATEPJECCHISSHO-UHFFFAOYSA-N 2 2 342.447 1.023 20 0 EDADLP C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000272720239 443421083 /nfs/dbraw/zinc/42/10/83/443421083.db2.gz ZFYWQIZWZKERNH-HKUYNNGSSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000272720239 443421085 /nfs/dbraw/zinc/42/10/85/443421085.db2.gz ZFYWQIZWZKERNH-HKUYNNGSSA-N 2 2 345.487 1.566 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCSC[C@H]2c2nccs2)CC1 ZINC000282634401 443395125 /nfs/dbraw/zinc/39/51/25/443395125.db2.gz BCWBULKSOJHJKA-ZDUSSCGKSA-N 2 2 340.518 1.397 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCSC[C@H]2c2nccs2)CC1 ZINC000282634401 443395132 /nfs/dbraw/zinc/39/51/32/443395132.db2.gz BCWBULKSOJHJKA-ZDUSSCGKSA-N 2 2 340.518 1.397 20 0 EDADLP O=C1C[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1Cc1ccccc1 ZINC000423013135 319745479 /nfs/dbraw/zinc/74/54/79/319745479.db2.gz MDLDWTFBJCXUGU-YVWKXTFCSA-N 2 2 343.471 1.392 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H](C)[NH2+]C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423392084 319770273 /nfs/dbraw/zinc/77/02/73/319770273.db2.gz OAUNDYVGEXCHPT-ZWNOBZJWSA-N 2 2 333.885 1.897 20 0 EDADLP CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279170383 443524098 /nfs/dbraw/zinc/52/40/98/443524098.db2.gz ABMPYBDYTNXSNG-IHRRRGAJSA-N 2 2 326.416 1.216 20 0 EDADLP CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279170383 443524101 /nfs/dbraw/zinc/52/41/01/443524101.db2.gz ABMPYBDYTNXSNG-IHRRRGAJSA-N 2 2 326.416 1.216 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC000283332379 443603954 /nfs/dbraw/zinc/60/39/54/443603954.db2.gz AHUKDBSFFICHST-QGZVFWFLSA-N 2 2 335.423 1.363 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC000283332379 443603957 /nfs/dbraw/zinc/60/39/57/443603957.db2.gz AHUKDBSFFICHST-QGZVFWFLSA-N 2 2 335.423 1.363 20 0 EDADLP COC(=O)[C@@H](C1CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434737230 320000900 /nfs/dbraw/zinc/00/09/00/320000900.db2.gz OUYFFNFHEHBDQX-USXIJHARSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434737230 320000902 /nfs/dbraw/zinc/00/09/02/320000902.db2.gz OUYFFNFHEHBDQX-USXIJHARSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@@H](C1CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000434737230 320000904 /nfs/dbraw/zinc/00/09/04/320000904.db2.gz OUYFFNFHEHBDQX-USXIJHARSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@@H](C1CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000434737230 320000906 /nfs/dbraw/zinc/00/09/06/320000906.db2.gz OUYFFNFHEHBDQX-USXIJHARSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000444285519 320124946 /nfs/dbraw/zinc/12/49/46/320124946.db2.gz JIYXGMLWIUBJDF-QXSJWSMHSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000444285519 320124948 /nfs/dbraw/zinc/12/49/48/320124948.db2.gz JIYXGMLWIUBJDF-QXSJWSMHSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000444285519 320124949 /nfs/dbraw/zinc/12/49/49/320124949.db2.gz JIYXGMLWIUBJDF-QXSJWSMHSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000444285519 320124951 /nfs/dbraw/zinc/12/49/51/320124951.db2.gz JIYXGMLWIUBJDF-QXSJWSMHSA-N 2 2 339.480 1.344 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000286209795 443668343 /nfs/dbraw/zinc/66/83/43/443668343.db2.gz CHMMNRVYONZRJU-UHFFFAOYSA-N 2 2 335.415 1.565 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000286209795 443668346 /nfs/dbraw/zinc/66/83/46/443668346.db2.gz CHMMNRVYONZRJU-UHFFFAOYSA-N 2 2 335.415 1.565 20 0 EDADLP CC(C)O[C@]1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCOC1 ZINC000448974626 320168153 /nfs/dbraw/zinc/16/81/53/320168153.db2.gz LKKHAAPGQLFNRO-GOSISDBHSA-N 2 2 341.496 1.055 20 0 EDADLP CC(C)O[C@]1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCOC1 ZINC000448974626 320168154 /nfs/dbraw/zinc/16/81/54/320168154.db2.gz LKKHAAPGQLFNRO-GOSISDBHSA-N 2 2 341.496 1.055 20 0 EDADLP COc1ccc(-n2cc(C[N@H+](CCO)C3CC[NH+](C)CC3)cn2)cc1 ZINC000448998145 320171981 /nfs/dbraw/zinc/17/19/81/320171981.db2.gz VZUIKDFAXMIPDS-UHFFFAOYSA-N 2 2 344.459 1.769 20 0 EDADLP COc1ccc(-n2cc(C[N@@H+](CCO)C3CC[NH+](C)CC3)cn2)cc1 ZINC000448998145 320171983 /nfs/dbraw/zinc/17/19/83/320171983.db2.gz VZUIKDFAXMIPDS-UHFFFAOYSA-N 2 2 344.459 1.769 20 0 EDADLP COc1cc(C)ccc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000449226328 320180003 /nfs/dbraw/zinc/18/00/03/320180003.db2.gz QZFDYZABYOONMM-KRWDZBQOSA-N 2 2 347.459 1.026 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)ccc1-n1cncn1 ZINC000449397877 320188428 /nfs/dbraw/zinc/18/84/28/320188428.db2.gz WGBQIDBQBVUFAP-KRWDZBQOSA-N 2 2 329.448 1.512 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)ccc1-n1cncn1 ZINC000449397877 320188431 /nfs/dbraw/zinc/18/84/31/320188431.db2.gz WGBQIDBQBVUFAP-KRWDZBQOSA-N 2 2 329.448 1.512 20 0 EDADLP C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451449137 320234515 /nfs/dbraw/zinc/23/45/15/320234515.db2.gz BLGIXORFRVJTLJ-GOEBONIOSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H]1[C@H](O)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451449137 320234518 /nfs/dbraw/zinc/23/45/18/320234518.db2.gz BLGIXORFRVJTLJ-GOEBONIOSA-N 2 2 337.489 1.238 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000286215204 443669463 /nfs/dbraw/zinc/66/94/63/443669463.db2.gz BGIJQKOLKAPEEA-GOSISDBHSA-N 2 2 346.475 1.470 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000286215204 443669464 /nfs/dbraw/zinc/66/94/64/443669464.db2.gz BGIJQKOLKAPEEA-GOSISDBHSA-N 2 2 346.475 1.470 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(-n2cnnn2)cc1 ZINC000453263924 320261551 /nfs/dbraw/zinc/26/15/51/320261551.db2.gz UNVOTOMPJOOYMY-WMLDXEAASA-N 2 2 330.436 1.160 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(-n2cnnn2)cc1 ZINC000453263924 320261553 /nfs/dbraw/zinc/26/15/53/320261553.db2.gz UNVOTOMPJOOYMY-WMLDXEAASA-N 2 2 330.436 1.160 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000457769071 320335514 /nfs/dbraw/zinc/33/55/14/320335514.db2.gz DNXVMYUCUXZPEH-HDICACEKSA-N 2 2 346.475 1.411 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000457769071 320335515 /nfs/dbraw/zinc/33/55/15/320335515.db2.gz DNXVMYUCUXZPEH-HDICACEKSA-N 2 2 346.475 1.411 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@@H]1C ZINC000458077550 320336219 /nfs/dbraw/zinc/33/62/19/320336219.db2.gz HMJWWQCWSWOWJE-HNNXBMFYSA-N 2 2 334.464 1.326 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@@H]1C ZINC000458077550 320336220 /nfs/dbraw/zinc/33/62/20/320336220.db2.gz HMJWWQCWSWOWJE-HNNXBMFYSA-N 2 2 334.464 1.326 20 0 EDADLP C[NH+](C)CCOCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000471637874 320352898 /nfs/dbraw/zinc/35/28/98/320352898.db2.gz GDSDJDURTBKFIC-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CCCN1C(=O)CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[C@@H]1c1c[nH+]cn1C ZINC000474790871 320353515 /nfs/dbraw/zinc/35/35/15/320353515.db2.gz NWXFVRUFADOKMN-JJRVBVJISA-N 2 2 349.479 1.176 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000492740294 320384241 /nfs/dbraw/zinc/38/42/41/320384241.db2.gz JRLPPZWJAMURAP-WJNHHXLDSA-N 2 2 334.489 1.954 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)CCC[N@@H+]1C ZINC000492781805 320386045 /nfs/dbraw/zinc/38/60/45/320386045.db2.gz KCXMVOWPDVQZCM-MZVVEVKISA-N 2 2 328.420 1.356 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)CCC[N@H+]1C ZINC000492781805 320386046 /nfs/dbraw/zinc/38/60/46/320386046.db2.gz KCXMVOWPDVQZCM-MZVVEVKISA-N 2 2 328.420 1.356 20 0 EDADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000519654556 320470121 /nfs/dbraw/zinc/47/01/21/320470121.db2.gz RXPJDXFCTKMQAB-AWEZNQCLSA-N 2 2 337.387 1.673 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000523668359 320486707 /nfs/dbraw/zinc/48/67/07/320486707.db2.gz SIRIXYPGFJHWIR-UHFFFAOYSA-N 2 2 348.495 1.501 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)cn21 ZINC000292246736 443785476 /nfs/dbraw/zinc/78/54/76/443785476.db2.gz JWBDKYWENYDFDI-GOSISDBHSA-N 2 2 327.432 1.880 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)cn21 ZINC000292246736 443785478 /nfs/dbraw/zinc/78/54/78/443785478.db2.gz JWBDKYWENYDFDI-GOSISDBHSA-N 2 2 327.432 1.880 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000276581062 443754586 /nfs/dbraw/zinc/75/45/86/443754586.db2.gz LPTIIRURYRTOBZ-AATRIKPKSA-N 2 2 340.427 1.696 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528718151 320558949 /nfs/dbraw/zinc/55/89/49/320558949.db2.gz HAAPDSSRCBQVRZ-AWEZNQCLSA-N 2 2 341.415 1.924 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000288379962 443862503 /nfs/dbraw/zinc/86/25/03/443862503.db2.gz XQCMBUSCLCNWBE-HZPDHXFCSA-N 2 2 349.479 1.141 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000288379962 443862509 /nfs/dbraw/zinc/86/25/09/443862509.db2.gz XQCMBUSCLCNWBE-HZPDHXFCSA-N 2 2 349.479 1.141 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)c1 ZINC000293183452 443946310 /nfs/dbraw/zinc/94/63/10/443946310.db2.gz SQEYLXRNFJCOOH-KRWDZBQOSA-N 2 2 345.418 1.955 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000541552511 320772342 /nfs/dbraw/zinc/77/23/42/320772342.db2.gz JNYHPSCJGKNLPV-KRWDZBQOSA-N 2 2 344.484 1.869 20 0 EDADLP Cn1nccc1C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285453019 443990055 /nfs/dbraw/zinc/99/00/55/443990055.db2.gz MJTAPRHJIDUPIS-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP Cn1nccc1C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285453019 443990058 /nfs/dbraw/zinc/99/00/58/443990058.db2.gz MJTAPRHJIDUPIS-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCNC1=O ZINC000285479154 443999756 /nfs/dbraw/zinc/99/97/56/443999756.db2.gz ONHZTCMJOGVVLD-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCNC1=O ZINC000285479154 443999766 /nfs/dbraw/zinc/99/97/66/443999766.db2.gz ONHZTCMJOGVVLD-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP C[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)C[NH+]1CCOCC1 ZINC000277788996 444039980 /nfs/dbraw/zinc/03/99/80/444039980.db2.gz MOYFENOLVOHUSJ-CQSZACIVSA-N 2 2 337.493 1.410 20 0 EDADLP C[C@H](CNc1cc(N2CCSCC2)nc[nH+]1)C[NH+]1CCOCC1 ZINC000277788996 444039983 /nfs/dbraw/zinc/03/99/83/444039983.db2.gz MOYFENOLVOHUSJ-CQSZACIVSA-N 2 2 337.493 1.410 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000285620589 444050572 /nfs/dbraw/zinc/05/05/72/444050572.db2.gz MRZNKNUCJUDSQJ-CYBMUJFWSA-N 2 2 330.388 1.044 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000285620589 444050574 /nfs/dbraw/zinc/05/05/74/444050574.db2.gz MRZNKNUCJUDSQJ-CYBMUJFWSA-N 2 2 330.388 1.044 20 0 EDADLP COCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000299282236 444006491 /nfs/dbraw/zinc/00/64/91/444006491.db2.gz VVYBKKSFDJSOSY-UHFFFAOYSA-N 2 2 333.476 1.608 20 0 EDADLP COCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000299282236 444006495 /nfs/dbraw/zinc/00/64/95/444006495.db2.gz VVYBKKSFDJSOSY-UHFFFAOYSA-N 2 2 333.476 1.608 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000557354329 321003031 /nfs/dbraw/zinc/00/30/31/321003031.db2.gz GLILAWXBIVTKSF-CYBMUJFWSA-N 2 2 329.404 1.263 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000560294388 321018904 /nfs/dbraw/zinc/01/89/04/321018904.db2.gz HFFJRZYPKHYULD-INIZCTEOSA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000560294388 321018906 /nfs/dbraw/zinc/01/89/06/321018906.db2.gz HFFJRZYPKHYULD-INIZCTEOSA-N 2 2 349.479 1.016 20 0 EDADLP CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000560980898 321030018 /nfs/dbraw/zinc/03/00/18/321030018.db2.gz OCYDQSZZIZZNFF-CQSZACIVSA-N 2 2 329.404 1.788 20 0 EDADLP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000562579470 321064574 /nfs/dbraw/zinc/06/45/74/321064574.db2.gz BRWXMAREKFKFMC-IYBDPMFKSA-N 2 2 334.464 1.621 20 0 EDADLP C[C@@H]1C[N@H+](CCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000562579470 321064576 /nfs/dbraw/zinc/06/45/76/321064576.db2.gz BRWXMAREKFKFMC-IYBDPMFKSA-N 2 2 334.464 1.621 20 0 EDADLP CCOc1cc(C)ccc1C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000562989266 321085352 /nfs/dbraw/zinc/08/53/52/321085352.db2.gz GLLZFTDRFWYSNQ-BQFCYCMXSA-N 2 2 336.476 1.953 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000563604072 321111705 /nfs/dbraw/zinc/11/17/05/321111705.db2.gz DWYXRIZGXAWOKC-RHSMWYFYSA-N 2 2 345.491 1.517 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000563604072 321111706 /nfs/dbraw/zinc/11/17/06/321111706.db2.gz DWYXRIZGXAWOKC-RHSMWYFYSA-N 2 2 345.491 1.517 20 0 EDADLP c1cc2c(cc1CN1CC[NH+](C[C@@H]3CCC[NH2+]C3)CC1)OCCO2 ZINC000563957767 321117806 /nfs/dbraw/zinc/11/78/06/321117806.db2.gz IMKRILPOFDVNJR-QGZVFWFLSA-N 2 2 331.460 1.575 20 0 EDADLP c1cc2c(cc1C[NH+]1CCN(C[C@@H]3CCC[NH2+]C3)CC1)OCCO2 ZINC000563957767 321117808 /nfs/dbraw/zinc/11/78/08/321117808.db2.gz IMKRILPOFDVNJR-QGZVFWFLSA-N 2 2 331.460 1.575 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)CC1 ZINC000564736962 321144610 /nfs/dbraw/zinc/14/46/10/321144610.db2.gz QRTAKEAJGDTAQF-INIZCTEOSA-N 3 2 347.507 1.584 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000565186737 321175253 /nfs/dbraw/zinc/17/52/53/321175253.db2.gz BFTMNEDCDWGHHQ-CQSZACIVSA-N 2 2 327.432 1.764 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000565186737 321175255 /nfs/dbraw/zinc/17/52/55/321175255.db2.gz BFTMNEDCDWGHHQ-CQSZACIVSA-N 2 2 327.432 1.764 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000565477399 321188144 /nfs/dbraw/zinc/18/81/44/321188144.db2.gz FDGGTDHQTBIVFI-MSOLQXFVSA-N 2 2 330.476 1.315 20 0 EDADLP CC(C)[C@H](CNC[C@H](O)CN1CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000566107885 321215632 /nfs/dbraw/zinc/21/56/32/321215632.db2.gz PXLJKKZCHWJRBT-OALUTQOASA-N 2 2 340.556 1.085 20 0 EDADLP C/C=C\c1ccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000567471960 321242674 /nfs/dbraw/zinc/24/26/74/321242674.db2.gz DZSCDOJFLTUPLO-XVWMLYKFSA-N 2 2 333.432 1.208 20 0 EDADLP C/C=C\c1ccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000567471960 321242676 /nfs/dbraw/zinc/24/26/76/321242676.db2.gz DZSCDOJFLTUPLO-XVWMLYKFSA-N 2 2 333.432 1.208 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484682 321244000 /nfs/dbraw/zinc/24/40/00/321244000.db2.gz WUJIHKYQQSTJMR-UONOGXRCSA-N 2 2 338.414 1.980 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484682 321244002 /nfs/dbraw/zinc/24/40/02/321244002.db2.gz WUJIHKYQQSTJMR-UONOGXRCSA-N 2 2 338.414 1.980 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484682 321244004 /nfs/dbraw/zinc/24/40/04/321244004.db2.gz WUJIHKYQQSTJMR-UONOGXRCSA-N 2 2 338.414 1.980 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484682 321244006 /nfs/dbraw/zinc/24/40/06/321244006.db2.gz WUJIHKYQQSTJMR-UONOGXRCSA-N 2 2 338.414 1.980 20 0 EDADLP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000567689152 321252726 /nfs/dbraw/zinc/25/27/26/321252726.db2.gz DEXHNAZHEKJSPE-GOEBONIOSA-N 2 2 326.412 1.123 20 0 EDADLP Cc1cccc(O[C@H](C)C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000567689838 321252803 /nfs/dbraw/zinc/25/28/03/321252803.db2.gz RRANJKSKSUBFOE-BDXSIMOUSA-N 2 2 336.476 1.822 20 0 EDADLP Cc1cccc(O[C@H](C)C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000567689838 321252805 /nfs/dbraw/zinc/25/28/05/321252805.db2.gz RRANJKSKSUBFOE-BDXSIMOUSA-N 2 2 336.476 1.822 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCc1ccc2c(c1)OCO2 ZINC000567889834 321266044 /nfs/dbraw/zinc/26/60/44/321266044.db2.gz ZBZDAGKXZSHMHM-SFHVURJKSA-N 2 2 331.416 1.107 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCc1ccc2c(c1)OCO2 ZINC000567889834 321266046 /nfs/dbraw/zinc/26/60/46/321266046.db2.gz ZBZDAGKXZSHMHM-SFHVURJKSA-N 2 2 331.416 1.107 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568188578 321279781 /nfs/dbraw/zinc/27/97/81/321279781.db2.gz LRBZIPSYFKWOLN-JKSUJKDBSA-N 2 2 338.883 1.305 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568188578 321279783 /nfs/dbraw/zinc/27/97/83/321279783.db2.gz LRBZIPSYFKWOLN-JKSUJKDBSA-N 2 2 338.883 1.305 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000568490895 321293679 /nfs/dbraw/zinc/29/36/79/321293679.db2.gz HNWKAAMYSSHZFU-UHFFFAOYSA-N 2 2 335.452 1.106 20 0 EDADLP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)N1CC[NH2+]CC1 ZINC000568853335 321308939 /nfs/dbraw/zinc/30/89/39/321308939.db2.gz GKHDAOWVFHLBID-HNNXBMFYSA-N 3 2 334.430 1.287 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@@H+]1CCO ZINC000570565337 321348039 /nfs/dbraw/zinc/34/80/39/321348039.db2.gz DDFRHKZXWUKCOC-WBVHZDCISA-N 2 2 342.443 1.457 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC[N@H+]1CCO ZINC000570565337 321348040 /nfs/dbraw/zinc/34/80/40/321348040.db2.gz DDFRHKZXWUKCOC-WBVHZDCISA-N 2 2 342.443 1.457 20 0 EDADLP CCCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289332172 444109596 /nfs/dbraw/zinc/10/95/96/444109596.db2.gz LAOXTJHWWVOTRR-HNNXBMFYSA-N 2 2 332.448 1.661 20 0 EDADLP CCCNC(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289332172 444109601 /nfs/dbraw/zinc/10/96/01/444109601.db2.gz LAOXTJHWWVOTRR-HNNXBMFYSA-N 2 2 332.448 1.661 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000572586239 321432873 /nfs/dbraw/zinc/43/28/73/321432873.db2.gz BPCUSTMXZYFVGZ-CWRNSKLLSA-N 2 2 349.479 1.718 20 0 EDADLP CCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)NC ZINC000285892314 444143728 /nfs/dbraw/zinc/14/37/28/444143728.db2.gz GFLWATPCLDOAQN-UHFFFAOYSA-N 2 2 332.492 1.657 20 0 EDADLP CCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)NC ZINC000285892314 444143732 /nfs/dbraw/zinc/14/37/32/444143732.db2.gz GFLWATPCLDOAQN-UHFFFAOYSA-N 2 2 332.492 1.657 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000285977799 444167561 /nfs/dbraw/zinc/16/75/61/444167561.db2.gz MRVHTBQJKVSHAN-ZIAGYGMSSA-N 2 2 335.452 1.310 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000285977799 444167564 /nfs/dbraw/zinc/16/75/64/444167564.db2.gz MRVHTBQJKVSHAN-ZIAGYGMSSA-N 2 2 335.452 1.310 20 0 EDADLP CCN(C)C(=O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285837988 444125015 /nfs/dbraw/zinc/12/50/15/444125015.db2.gz HMLIGLWODMFNQN-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CCN(C)C(=O)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285837988 444125019 /nfs/dbraw/zinc/12/50/19/444125019.db2.gz HMLIGLWODMFNQN-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1=CC[N@H+](C)CC1 ZINC000289821586 444207679 /nfs/dbraw/zinc/20/76/79/444207679.db2.gz TZKMMGZNASDQBX-HIFRSBDPSA-N 2 2 345.447 1.230 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000289821586 444207682 /nfs/dbraw/zinc/20/76/82/444207682.db2.gz TZKMMGZNASDQBX-HIFRSBDPSA-N 2 2 345.447 1.230 20 0 EDADLP C[C@@H](CNc1cc[nH+]cc1C(N)=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000302216998 444209420 /nfs/dbraw/zinc/20/94/20/444209420.db2.gz JYDBLVHYOXSJFA-HNNXBMFYSA-N 2 2 339.443 1.803 20 0 EDADLP CN(C)c1cc[nH+]c(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000301730064 444187755 /nfs/dbraw/zinc/18/77/55/444187755.db2.gz OMSZHENNFOXPHK-INIZCTEOSA-N 2 2 327.432 1.374 20 0 EDADLP CN(C)c1cc[nH+]c(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000301730064 444187758 /nfs/dbraw/zinc/18/77/58/444187758.db2.gz OMSZHENNFOXPHK-INIZCTEOSA-N 2 2 327.432 1.374 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCC(O)CC1 ZINC000296107809 444204792 /nfs/dbraw/zinc/20/47/92/444204792.db2.gz ZHDZIHUWLXEWGR-XLIONFOSSA-N 2 2 331.504 1.943 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCC(O)CC1 ZINC000296107809 444204795 /nfs/dbraw/zinc/20/47/95/444204795.db2.gz ZHDZIHUWLXEWGR-XLIONFOSSA-N 2 2 331.504 1.943 20 0 EDADLP Cc1noc([C@@]2(O)CC[N@H+](Cc3c[nH+]c(C)n3-c3ccccc3)C2)n1 ZINC000290318731 444266505 /nfs/dbraw/zinc/26/65/05/444266505.db2.gz CTJRYQOHMNNIPS-GOSISDBHSA-N 2 2 339.399 1.966 20 0 EDADLP Cc1noc([C@@]2(O)CC[N@@H+](Cc3c[nH+]c(C)n3-c3ccccc3)C2)n1 ZINC000290318731 444266507 /nfs/dbraw/zinc/26/65/07/444266507.db2.gz CTJRYQOHMNNIPS-GOSISDBHSA-N 2 2 339.399 1.966 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cn21 ZINC000577367216 321645984 /nfs/dbraw/zinc/64/59/84/321645984.db2.gz IQJPUMLWIPHSFE-GOSISDBHSA-N 2 2 327.432 1.928 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000297643584 444312365 /nfs/dbraw/zinc/31/23/65/444312365.db2.gz TXYVGEULIDVDCK-OAHLLOKOSA-N 2 2 342.447 1.893 20 0 EDADLP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000297714879 444323160 /nfs/dbraw/zinc/32/31/60/444323160.db2.gz YVVGHVIXQJQWIW-KRWDZBQOSA-N 2 2 343.431 1.341 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000305786933 444280933 /nfs/dbraw/zinc/28/09/33/444280933.db2.gz YKGAMSLEICSEIW-BPUTZDHNSA-N 2 2 332.510 1.167 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000323676195 444345086 /nfs/dbraw/zinc/34/50/86/444345086.db2.gz OXXYUNQQODEKJR-HOTGVXAUSA-N 2 2 337.489 1.653 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000323676195 444345089 /nfs/dbraw/zinc/34/50/89/444345089.db2.gz OXXYUNQQODEKJR-HOTGVXAUSA-N 2 2 337.489 1.653 20 0 EDADLP COCC(=O)N1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000324248255 444352516 /nfs/dbraw/zinc/35/25/16/444352516.db2.gz HGSZKMLNAJLRDL-UHFFFAOYSA-N 2 2 332.448 1.277 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)C2)CC1 ZINC000328797925 444356291 /nfs/dbraw/zinc/35/62/91/444356291.db2.gz WFPIMBPVRNTZJE-IAGOWNOFSA-N 2 2 345.491 1.606 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)CC1 ZINC000328797925 444356300 /nfs/dbraw/zinc/35/63/00/444356300.db2.gz WFPIMBPVRNTZJE-IAGOWNOFSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297753685 444329208 /nfs/dbraw/zinc/32/92/08/444329208.db2.gz DXQAKSOIMCDCLN-ZDUSSCGKSA-N 2 2 329.404 1.263 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCC(CO)([NH2+]CC4CC4)CC3)cn2c1 ZINC000578537517 321791951 /nfs/dbraw/zinc/79/19/51/321791951.db2.gz CEMATYJCQMWXFR-UHFFFAOYSA-N 2 2 328.460 1.969 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[NH+]1CCN(C)CC1 ZINC000326442128 444374999 /nfs/dbraw/zinc/37/49/99/444374999.db2.gz WUEZMBNOWAAMKK-MSOLQXFVSA-N 2 2 338.540 1.672 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298065171 444403155 /nfs/dbraw/zinc/40/31/55/444403155.db2.gz JCWXKVZWAPZYHN-HNNXBMFYSA-N 2 2 343.431 1.654 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000579124340 321888440 /nfs/dbraw/zinc/88/84/40/321888440.db2.gz LXSHAYGJNOHHIS-KDOFPFPSSA-N 2 2 334.464 1.710 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc[nH+]1 ZINC000329124491 444478299 /nfs/dbraw/zinc/47/82/99/444478299.db2.gz SIVPHCZDXIZINF-JKSUJKDBSA-N 2 2 331.464 1.360 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]cn1 ZINC000329124491 444478302 /nfs/dbraw/zinc/47/83/02/444478302.db2.gz SIVPHCZDXIZINF-JKSUJKDBSA-N 2 2 331.464 1.360 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000331724937 444484526 /nfs/dbraw/zinc/48/45/26/444484526.db2.gz LWMPOFUQZDKHBE-MGPQQGTHSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@H+]1C ZINC000331724937 444484530 /nfs/dbraw/zinc/48/45/30/444484530.db2.gz LWMPOFUQZDKHBE-MGPQQGTHSA-N 2 2 333.436 1.062 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580299824 322033155 /nfs/dbraw/zinc/03/31/55/322033155.db2.gz UFBAWQGQNJNPSW-GASCZTMLSA-N 2 2 327.432 1.518 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C[NH3+])C1 ZINC000580532901 322062635 /nfs/dbraw/zinc/06/26/35/322062635.db2.gz OCPPHLQVQFQOGH-SLEUVZQESA-N 2 2 340.830 1.619 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)[C@@H](C[NH3+])C1 ZINC000580532901 322062636 /nfs/dbraw/zinc/06/26/36/322062636.db2.gz OCPPHLQVQFQOGH-SLEUVZQESA-N 2 2 340.830 1.619 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)[C@@H](C[NH3+])C1 ZINC000580703855 322084403 /nfs/dbraw/zinc/08/44/03/322084403.db2.gz OJRQZIDRWLPRJR-GXTWGEPZSA-N 2 2 338.452 1.647 20 0 EDADLP COc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ccccc2n1 ZINC000580704050 322084438 /nfs/dbraw/zinc/08/44/38/322084438.db2.gz CIEFVIPUIFKJER-AWEZNQCLSA-N 2 2 343.431 1.028 20 0 EDADLP O=C(NCCC[NH2+]Cc1cccnc1)C1CC[NH+](CC(F)F)CC1 ZINC000580832695 322101294 /nfs/dbraw/zinc/10/12/94/322101294.db2.gz UZHBKFXARSNXGX-UHFFFAOYSA-N 2 2 340.418 1.655 20 0 EDADLP CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000581399151 322172153 /nfs/dbraw/zinc/17/21/53/322172153.db2.gz ZIUGIEZGUFXWGS-UHFFFAOYSA-N 2 2 332.448 1.128 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CO1 ZINC000581610572 322199150 /nfs/dbraw/zinc/19/91/50/322199150.db2.gz UPFNEUZQZKCZRQ-COXVUDFISA-N 2 2 328.416 1.095 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000581646424 322202487 /nfs/dbraw/zinc/20/24/87/322202487.db2.gz KNJDAWJLTWPJSW-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000581646424 322202488 /nfs/dbraw/zinc/20/24/88/322202488.db2.gz KNJDAWJLTWPJSW-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000581646424 322202489 /nfs/dbraw/zinc/20/24/89/322202489.db2.gz KNJDAWJLTWPJSW-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000581646424 322202490 /nfs/dbraw/zinc/20/24/90/322202490.db2.gz KNJDAWJLTWPJSW-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000581932851 322234504 /nfs/dbraw/zinc/23/45/04/322234504.db2.gz PEEFQVXMJJSAHF-BMFZPTHFSA-N 2 2 327.432 1.807 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329251445 444513059 /nfs/dbraw/zinc/51/30/59/444513059.db2.gz YBBIQFWJIOBFHQ-SQWLQELKSA-N 2 2 346.431 1.697 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329251445 444513061 /nfs/dbraw/zinc/51/30/61/444513061.db2.gz YBBIQFWJIOBFHQ-SQWLQELKSA-N 2 2 346.431 1.697 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CC[C@H]([NH+]4CCCCC4)C3)nc[nH+]2)C1 ZINC000329268577 444517569 /nfs/dbraw/zinc/51/75/69/444517569.db2.gz GQWMFKOYFRQEPC-IRXDYDNUSA-N 2 2 345.491 1.750 20 0 EDADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000342130132 444523868 /nfs/dbraw/zinc/52/38/68/444523868.db2.gz LGAIVHZFOZTPKY-UHSVVUDUSA-N 2 2 348.491 1.641 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000332798880 444557444 /nfs/dbraw/zinc/55/74/44/444557444.db2.gz YCMYHRKPBBJFGM-WMZOPIPTSA-N 2 2 347.507 1.504 20 0 EDADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000343720417 444544530 /nfs/dbraw/zinc/54/45/30/444544530.db2.gz PWOZZMQATOXFIO-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000343725612 444548079 /nfs/dbraw/zinc/54/80/79/444548079.db2.gz RSPOCBRCFTWPCU-GPMSIDNRSA-N 2 2 343.471 1.758 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000338268977 444599837 /nfs/dbraw/zinc/59/98/37/444599837.db2.gz AEHZPXPOKKEGAS-OAHLLOKOSA-N 2 2 333.480 1.793 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000338268977 444599842 /nfs/dbraw/zinc/59/98/42/444599842.db2.gz AEHZPXPOKKEGAS-OAHLLOKOSA-N 2 2 333.480 1.793 20 0 EDADLP Cc1nc(N2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)cc[nH+]1 ZINC000329488045 444600565 /nfs/dbraw/zinc/60/05/65/444600565.db2.gz GVRUZJBNYKSTRN-INIZCTEOSA-N 2 2 331.464 1.698 20 0 EDADLP Cc1nc(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000329488045 444600570 /nfs/dbraw/zinc/60/05/70/444600570.db2.gz GVRUZJBNYKSTRN-INIZCTEOSA-N 2 2 331.464 1.698 20 0 EDADLP CCN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332953994 444608940 /nfs/dbraw/zinc/60/89/40/444608940.db2.gz GHFHCXCUHYBCPT-GDBMZVCRSA-N 2 2 346.479 1.282 20 0 EDADLP CCN1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332953994 444608943 /nfs/dbraw/zinc/60/89/43/444608943.db2.gz GHFHCXCUHYBCPT-GDBMZVCRSA-N 2 2 346.479 1.282 20 0 EDADLP CC[NH+](CC)CCC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000338301402 444618945 /nfs/dbraw/zinc/61/89/45/444618945.db2.gz IXGNORDXYBFSES-DLBZAZTESA-N 3 2 339.503 1.996 20 0 EDADLP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000338301402 444618948 /nfs/dbraw/zinc/61/89/48/444618948.db2.gz IXGNORDXYBFSES-DLBZAZTESA-N 3 2 339.503 1.996 20 0 EDADLP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@H]3CCn4c[nH+]cc4C3)n1)OC2 ZINC000329639232 444660907 /nfs/dbraw/zinc/66/09/07/444660907.db2.gz YZHVNNAZUNHMFX-RVSPLBMKSA-N 2 2 329.404 1.922 20 0 EDADLP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@H]3CCn4c[nH+]cc4C3)n1)OC2 ZINC000329639232 444660911 /nfs/dbraw/zinc/66/09/11/444660911.db2.gz YZHVNNAZUNHMFX-RVSPLBMKSA-N 2 2 329.404 1.922 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)c2cc(N3CCC[C@H](C)C3)[nH+]cn2)[N@H+](C)C1 ZINC000343878084 444642175 /nfs/dbraw/zinc/64/21/75/444642175.db2.gz ZWBBOGKTPCNWCG-ARFHVFGLSA-N 2 2 333.480 1.868 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)c2cc(N3CCC[C@H](C)C3)[nH+]cn2)[N@@H+](C)C1 ZINC000343878084 444642179 /nfs/dbraw/zinc/64/21/79/444642179.db2.gz ZWBBOGKTPCNWCG-ARFHVFGLSA-N 2 2 333.480 1.868 20 0 EDADLP CNC(=O)c1ccc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC000342456726 444699158 /nfs/dbraw/zinc/69/91/58/444699158.db2.gz DQLAZAPHJMSKIH-UHFFFAOYSA-N 2 2 347.459 1.553 20 0 EDADLP COCCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000342495831 444716336 /nfs/dbraw/zinc/71/63/36/444716336.db2.gz NAVNAKCUAFZSOW-UHFFFAOYSA-N 2 2 349.475 1.103 20 0 EDADLP COCCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000342495831 444716340 /nfs/dbraw/zinc/71/63/40/444716340.db2.gz NAVNAKCUAFZSOW-UHFFFAOYSA-N 2 2 349.475 1.103 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC3(CC[NH2+]C3)CC2)[nH+]cn1 ZINC000333913802 444717106 /nfs/dbraw/zinc/71/71/06/444717106.db2.gz MHCJJIHFEYADNC-HNNXBMFYSA-N 2 2 331.464 1.408 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC3(CC[NH2+]C3)CC2)nc[nH+]1 ZINC000333913802 444717110 /nfs/dbraw/zinc/71/71/10/444717110.db2.gz MHCJJIHFEYADNC-HNNXBMFYSA-N 2 2 331.464 1.408 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)[nH+]c2c1 ZINC000333934776 444722110 /nfs/dbraw/zinc/72/21/10/444722110.db2.gz ITNKQLQYOJDREI-SFHVURJKSA-N 2 2 327.432 1.928 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000344010821 444726168 /nfs/dbraw/zinc/72/61/68/444726168.db2.gz LOXZSPCZVNBJPZ-NVXWUHKLSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)CC[N@@H+]1C ZINC000341202554 444726484 /nfs/dbraw/zinc/72/64/84/444726484.db2.gz MZTNWNRFJBPYNT-GDBMZVCRSA-N 2 2 341.459 2.429 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)CC[N@H+]1C ZINC000341202554 444726487 /nfs/dbraw/zinc/72/64/87/444726487.db2.gz MZTNWNRFJBPYNT-GDBMZVCRSA-N 2 2 341.459 2.429 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000343942791 444685348 /nfs/dbraw/zinc/68/53/48/444685348.db2.gz UXEVWDAVORFFPO-SQNIBIBYSA-N 2 2 336.524 1.203 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000343942791 444685350 /nfs/dbraw/zinc/68/53/50/444685350.db2.gz UXEVWDAVORFFPO-SQNIBIBYSA-N 2 2 336.524 1.203 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000329852477 444740215 /nfs/dbraw/zinc/74/02/15/444740215.db2.gz UTWWYMWBVUCUOG-HOTGVXAUSA-N 2 2 332.448 1.759 20 0 EDADLP C[C@@H](O)C[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000341252464 444749730 /nfs/dbraw/zinc/74/97/30/444749730.db2.gz ZYPNCKUPFSUSIY-ZIAGYGMSSA-N 2 2 326.485 1.004 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C ZINC000334044276 444759705 /nfs/dbraw/zinc/75/97/05/444759705.db2.gz GYLKNBSXWGSEET-GHMZBOCLSA-N 2 2 338.374 1.179 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C ZINC000334044276 444759708 /nfs/dbraw/zinc/75/97/08/444759708.db2.gz GYLKNBSXWGSEET-GHMZBOCLSA-N 2 2 338.374 1.179 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C ZINC000334044276 444759712 /nfs/dbraw/zinc/75/97/12/444759712.db2.gz GYLKNBSXWGSEET-GHMZBOCLSA-N 2 2 338.374 1.179 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C ZINC000334044276 444759715 /nfs/dbraw/zinc/75/97/15/444759715.db2.gz GYLKNBSXWGSEET-GHMZBOCLSA-N 2 2 338.374 1.179 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[NH2+]CC3(F)F)cn2)CC1 ZINC000344106927 444784378 /nfs/dbraw/zinc/78/43/78/444784378.db2.gz UQHCQUYPMIIHOL-CYBMUJFWSA-N 2 2 339.390 1.017 20 0 EDADLP NC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000341300862 444768758 /nfs/dbraw/zinc/76/87/58/444768758.db2.gz FCAAPPMZUJQJHT-UHFFFAOYSA-N 2 2 325.416 1.330 20 0 EDADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C[C@@H]21 ZINC000329926203 444771941 /nfs/dbraw/zinc/77/19/41/444771941.db2.gz KJQGVCZWHRDFMQ-ROUUACIJSA-N 2 2 338.411 1.402 20 0 EDADLP C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C[C@@H]21 ZINC000329926203 444771946 /nfs/dbraw/zinc/77/19/46/444771946.db2.gz KJQGVCZWHRDFMQ-ROUUACIJSA-N 2 2 338.411 1.402 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]c(C)cc2C)C[C@@H]1[NH+]1CCOCC1 ZINC000334107336 444782100 /nfs/dbraw/zinc/78/21/00/444782100.db2.gz ZAAOFLQXOYAQNA-AEFFLSMTSA-N 2 2 346.475 1.951 20 0 EDADLP Cc1c[nH+]c(N2CC[C@@H](C[NH+](C)C)C2)nc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000338688178 444808380 /nfs/dbraw/zinc/80/83/80/444808380.db2.gz CDOICHWUZGMWST-IRXDYDNUSA-N 3 2 346.523 1.561 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342690280 444816044 /nfs/dbraw/zinc/81/60/44/444816044.db2.gz XDQGDNBKICKPRO-XHHISWJOSA-N 2 2 337.508 1.719 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342690280 444816049 /nfs/dbraw/zinc/81/60/49/444816049.db2.gz XDQGDNBKICKPRO-XHHISWJOSA-N 2 2 337.508 1.719 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342690280 444816051 /nfs/dbraw/zinc/81/60/51/444816051.db2.gz XDQGDNBKICKPRO-XHHISWJOSA-N 2 2 337.508 1.719 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342690280 444816055 /nfs/dbraw/zinc/81/60/55/444816055.db2.gz XDQGDNBKICKPRO-XHHISWJOSA-N 2 2 337.508 1.719 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000338647510 444790686 /nfs/dbraw/zinc/79/06/86/444790686.db2.gz FXRQHVMNTUQLBS-UHFFFAOYSA-N 2 2 338.415 1.942 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000342714760 444829895 /nfs/dbraw/zinc/82/98/95/444829895.db2.gz TZIGYVKLJJTDNJ-QRQLOZEOSA-N 2 2 345.487 1.873 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342765181 444854624 /nfs/dbraw/zinc/85/46/24/444854624.db2.gz MNBWRHLAUNZPJO-MRXNPFEDSA-N 2 2 337.414 1.884 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]4C(=O)N(C)C[C@H]43)sc2C1 ZINC000344258675 444867419 /nfs/dbraw/zinc/86/74/19/444867419.db2.gz ZVQKFDBXSJTLRZ-DZGCQCFKSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]4C(=O)N(C)C[C@H]43)sc2C1 ZINC000344258675 444867421 /nfs/dbraw/zinc/86/74/21/444867421.db2.gz ZVQKFDBXSJTLRZ-DZGCQCFKSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]4C(=O)N(C)C[C@H]43)sc2C1 ZINC000344258675 444867427 /nfs/dbraw/zinc/86/74/27/444867427.db2.gz ZVQKFDBXSJTLRZ-DZGCQCFKSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]4C(=O)N(C)C[C@H]43)sc2C1 ZINC000344258675 444867430 /nfs/dbraw/zinc/86/74/30/444867430.db2.gz ZVQKFDBXSJTLRZ-DZGCQCFKSA-N 2 2 348.516 1.962 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000341546475 444886628 /nfs/dbraw/zinc/88/66/28/444886628.db2.gz IDMKEZYGURRERI-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000341546475 444886632 /nfs/dbraw/zinc/88/66/32/444886632.db2.gz IDMKEZYGURRERI-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341546475 444886639 /nfs/dbraw/zinc/88/66/39/444886639.db2.gz IDMKEZYGURRERI-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)C[NH+]1CCCCC1 ZINC000341564410 444897621 /nfs/dbraw/zinc/89/76/21/444897621.db2.gz KDSWXKVAALFCAE-IXDOHACOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)C[NH+]1CCCCC1 ZINC000341564410 444897624 /nfs/dbraw/zinc/89/76/24/444897624.db2.gz KDSWXKVAALFCAE-IXDOHACOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000341631501 444926875 /nfs/dbraw/zinc/92/68/75/444926875.db2.gz GRTKZZSUMHXILN-MSOLQXFVSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000341631501 444926878 /nfs/dbraw/zinc/92/68/78/444926878.db2.gz GRTKZZSUMHXILN-MSOLQXFVSA-N 2 2 345.487 1.688 20 0 EDADLP CCc1oc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1C(=O)OC ZINC000338943337 444947679 /nfs/dbraw/zinc/94/76/79/444947679.db2.gz WLFIJYORLJMLMJ-OAHLLOKOSA-N 2 2 349.475 1.840 20 0 EDADLP CCc1oc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1C(=O)OC ZINC000338943337 444947682 /nfs/dbraw/zinc/94/76/82/444947682.db2.gz WLFIJYORLJMLMJ-OAHLLOKOSA-N 2 2 349.475 1.840 20 0 EDADLP CCCCNc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)nc(N)[nH+]1 ZINC000342957685 444966886 /nfs/dbraw/zinc/96/68/86/444966886.db2.gz DBVXYDMHZRIGDY-CYBMUJFWSA-N 2 2 336.484 1.552 20 0 EDADLP CCCCNc1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)nc(N)[nH+]1 ZINC000342957685 444966889 /nfs/dbraw/zinc/96/68/89/444966889.db2.gz DBVXYDMHZRIGDY-CYBMUJFWSA-N 2 2 336.484 1.552 20 0 EDADLP NC(=O)c1csc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344507961 445021204 /nfs/dbraw/zinc/02/12/04/445021204.db2.gz CNSZCPGWBIVOAU-SFHVURJKSA-N 2 2 345.468 1.574 20 0 EDADLP NC(=O)c1csc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344507961 445021209 /nfs/dbraw/zinc/02/12/09/445021209.db2.gz CNSZCPGWBIVOAU-SFHVURJKSA-N 2 2 345.468 1.574 20 0 EDADLP COC1(C)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000341839593 445027659 /nfs/dbraw/zinc/02/76/59/445027659.db2.gz ATOIDOXRSPAXHI-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H](C)C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000339021450 444991040 /nfs/dbraw/zinc/99/10/40/444991040.db2.gz FDNUEAFENYAOLT-HZPDHXFCSA-N 2 2 347.507 1.469 20 0 EDADLP COC(=O)c1cnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000341852198 445034646 /nfs/dbraw/zinc/03/46/46/445034646.db2.gz JLNYWVIIAKDYEY-UHFFFAOYSA-N 2 2 333.436 1.234 20 0 EDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cn(C)nn2)CC1 ZINC000341804061 445009407 /nfs/dbraw/zinc/00/94/07/445009407.db2.gz YUQKQCCZAKVHJA-CQSZACIVSA-N 2 2 346.454 1.947 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC[C@H]3CNS(C)(=O)=O)n2c1 ZINC000337279290 445013390 /nfs/dbraw/zinc/01/33/90/445013390.db2.gz IAIWMIIPNHFUKX-DZGCQCFKSA-N 2 2 336.461 1.450 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000337362526 445048154 /nfs/dbraw/zinc/04/81/54/445048154.db2.gz HTSNQDWYEAUAON-UHFFFAOYSA-N 2 2 346.431 1.631 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000337362526 445048155 /nfs/dbraw/zinc/04/81/55/445048155.db2.gz HTSNQDWYEAUAON-UHFFFAOYSA-N 2 2 346.431 1.631 20 0 EDADLP OCCOC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341917284 445070852 /nfs/dbraw/zinc/07/08/52/445070852.db2.gz ZALHKDSWKYHMJF-FQEVSTJZSA-N 2 2 348.487 1.751 20 0 EDADLP OCCOC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341917284 445070853 /nfs/dbraw/zinc/07/08/53/445070853.db2.gz ZALHKDSWKYHMJF-FQEVSTJZSA-N 2 2 348.487 1.751 20 0 EDADLP C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000337334141 445037001 /nfs/dbraw/zinc/03/70/01/445037001.db2.gz KDTGBFKTWYMMKN-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H](C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)[NH+]1CCSCC1 ZINC000337563542 445138414 /nfs/dbraw/zinc/13/84/14/445138414.db2.gz AAORWHGFNHKRER-BBRMVZONSA-N 2 2 337.464 1.736 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000337580908 445149830 /nfs/dbraw/zinc/14/98/30/445149830.db2.gz BHSUBYMGINGJOD-HUUCEWRRSA-N 2 2 331.464 1.852 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000337580908 445149832 /nfs/dbraw/zinc/14/98/32/445149832.db2.gz BHSUBYMGINGJOD-HUUCEWRRSA-N 2 2 331.464 1.852 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346247912 445209270 /nfs/dbraw/zinc/20/92/70/445209270.db2.gz YKFBGAYXVRPYBG-BZUAXINKSA-N 2 2 325.497 1.580 20 0 EDADLP Cn1nccc1[C@@H]1[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CCC(=O)N1C ZINC000343457082 445226307 /nfs/dbraw/zinc/22/63/07/445226307.db2.gz HIJJCBCXUUJJIG-KDOFPFPSSA-N 2 2 338.415 1.520 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000343522405 445238266 /nfs/dbraw/zinc/23/82/66/445238266.db2.gz NAUQLCLNOIXDAM-HOTGVXAUSA-N 2 2 337.414 1.967 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343619817 445266711 /nfs/dbraw/zinc/26/67/11/445266711.db2.gz KFMSTRPYWWSHNP-UHFFFAOYSA-N 2 2 335.496 1.483 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343619817 445266714 /nfs/dbraw/zinc/26/67/14/445266714.db2.gz KFMSTRPYWWSHNP-UHFFFAOYSA-N 2 2 335.496 1.483 20 0 EDADLP CCOC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000348472425 445303549 /nfs/dbraw/zinc/30/35/49/445303549.db2.gz XSVOPOJTQXTVTM-SJORKVTESA-N 2 2 348.491 1.769 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000348377383 445270933 /nfs/dbraw/zinc/27/09/33/445270933.db2.gz MRHGPUQVYNZBGW-DLBZAZTESA-N 2 2 339.528 1.186 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000348377383 445270935 /nfs/dbraw/zinc/27/09/35/445270935.db2.gz MRHGPUQVYNZBGW-DLBZAZTESA-N 2 2 339.528 1.186 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348377383 445270937 /nfs/dbraw/zinc/27/09/37/445270937.db2.gz MRHGPUQVYNZBGW-DLBZAZTESA-N 2 2 339.528 1.186 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348377383 445270939 /nfs/dbraw/zinc/27/09/39/445270939.db2.gz MRHGPUQVYNZBGW-DLBZAZTESA-N 2 2 339.528 1.186 20 0 EDADLP CCN(C)C(=O)CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348123446 445280596 /nfs/dbraw/zinc/28/05/96/445280596.db2.gz RUDYKMDEUOEYBG-GJZGRUSLSA-N 2 2 339.459 1.133 20 0 EDADLP CCN(C)C(=O)CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348123446 445280601 /nfs/dbraw/zinc/28/06/01/445280601.db2.gz RUDYKMDEUOEYBG-GJZGRUSLSA-N 2 2 339.459 1.133 20 0 EDADLP CCOCC[C@H](O)C[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348126240 445282698 /nfs/dbraw/zinc/28/26/98/445282698.db2.gz XRHSZUFMEYMRKD-PMPSAXMXSA-N 2 2 342.459 1.052 20 0 EDADLP CCOCC[C@H](O)C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348126240 445282701 /nfs/dbraw/zinc/28/27/01/445282701.db2.gz XRHSZUFMEYMRKD-PMPSAXMXSA-N 2 2 342.459 1.052 20 0 EDADLP CCC[C@H]1CN(c2ncnc3c2C[NH+](C)CC3)CC[N@@H+]1CCOC ZINC000362396788 445359641 /nfs/dbraw/zinc/35/96/41/445359641.db2.gz PXEPYVORRMHPBN-HNNXBMFYSA-N 2 2 333.480 1.402 20 0 EDADLP CCC[C@H]1CN(c2ncnc3c2C[NH+](C)CC3)CC[N@H+]1CCOC ZINC000362396788 445359644 /nfs/dbraw/zinc/35/96/44/445359644.db2.gz PXEPYVORRMHPBN-HNNXBMFYSA-N 2 2 333.480 1.402 20 0 EDADLP CCC[C@H]1CN(c2ncnc3c2C[N@H+](C)CC3)CC[NH+]1CCOC ZINC000362396788 445359646 /nfs/dbraw/zinc/35/96/46/445359646.db2.gz PXEPYVORRMHPBN-HNNXBMFYSA-N 2 2 333.480 1.402 20 0 EDADLP CCC[C@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)CC[NH+]1CCOC ZINC000362396788 445359648 /nfs/dbraw/zinc/35/96/48/445359648.db2.gz PXEPYVORRMHPBN-HNNXBMFYSA-N 2 2 333.480 1.402 20 0 EDADLP Cc1nc(NC[C@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)c(C)c(C)[nH+]1 ZINC000359663839 445364332 /nfs/dbraw/zinc/36/43/32/445364332.db2.gz WJNLAXKNYUMYAO-HZPDHXFCSA-N 2 2 332.427 2.160 20 0 EDADLP Cc1nc(NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)c(C)c(C)[nH+]1 ZINC000359663839 445364336 /nfs/dbraw/zinc/36/43/36/445364336.db2.gz WJNLAXKNYUMYAO-HZPDHXFCSA-N 2 2 332.427 2.160 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357094037 445425035 /nfs/dbraw/zinc/42/50/35/445425035.db2.gz XVDVKAWFGFCPLI-SJORKVTESA-N 2 2 331.460 1.585 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357094037 445425038 /nfs/dbraw/zinc/42/50/38/445425038.db2.gz XVDVKAWFGFCPLI-SJORKVTESA-N 2 2 331.460 1.585 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cc(OC)c(F)cc3C2)CC1 ZINC000348793571 445384012 /nfs/dbraw/zinc/38/40/12/445384012.db2.gz MTGUDDAYPZVEEQ-UHFFFAOYSA-N 2 2 349.450 1.793 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3cc(OC)c(F)cc3C2)CC1 ZINC000348793571 445384016 /nfs/dbraw/zinc/38/40/16/445384016.db2.gz MTGUDDAYPZVEEQ-UHFFFAOYSA-N 2 2 349.450 1.793 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000359718515 445390828 /nfs/dbraw/zinc/39/08/28/445390828.db2.gz KRLYCVZIVSBALL-HNNXBMFYSA-N 2 2 336.484 1.065 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000359718515 445390830 /nfs/dbraw/zinc/39/08/30/445390830.db2.gz KRLYCVZIVSBALL-HNNXBMFYSA-N 2 2 336.484 1.065 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000352003513 445430799 /nfs/dbraw/zinc/43/07/99/445430799.db2.gz LZHZSXBFMZPRFF-HUUCEWRRSA-N 2 2 333.480 1.183 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000352003513 445430802 /nfs/dbraw/zinc/43/08/02/445430802.db2.gz LZHZSXBFMZPRFF-HUUCEWRRSA-N 2 2 333.480 1.183 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CCOC1C[NH2+]C1)c1cccc(F)c1 ZINC000349006133 445472969 /nfs/dbraw/zinc/47/29/69/445472969.db2.gz SVTFOQKRVGHGKI-MRXNPFEDSA-N 2 2 332.379 1.143 20 0 EDADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000355733539 445475009 /nfs/dbraw/zinc/47/50/09/445475009.db2.gz LLUFVXOSXGJVOK-OAGGEKHMSA-N 2 2 325.497 1.580 20 0 EDADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000355733539 445475017 /nfs/dbraw/zinc/47/50/17/445475017.db2.gz LLUFVXOSXGJVOK-OAGGEKHMSA-N 2 2 325.497 1.580 20 0 EDADLP Cc1nnc2n1C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CC2 ZINC000359894473 445477732 /nfs/dbraw/zinc/47/77/32/445477732.db2.gz GAXOFZSYMQIKFG-ZDUSSCGKSA-N 2 2 331.386 1.908 20 0 EDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000352006403 445432602 /nfs/dbraw/zinc/43/26/02/445432602.db2.gz UKMKIBIAFKQDLI-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000352006403 445432605 /nfs/dbraw/zinc/43/26/05/445432605.db2.gz UKMKIBIAFKQDLI-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP CS[C@@H](C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355088945 445442685 /nfs/dbraw/zinc/44/26/85/445442685.db2.gz OYZDJMYMFOANQP-KGLIPLIRSA-N 2 2 328.526 1.548 20 0 EDADLP CS[C@@H](C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355088945 445442689 /nfs/dbraw/zinc/44/26/89/445442689.db2.gz OYZDJMYMFOANQP-KGLIPLIRSA-N 2 2 328.526 1.548 20 0 EDADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000362568777 445444507 /nfs/dbraw/zinc/44/45/07/445444507.db2.gz LPEDLRNMGDQFHU-LSDHHAIUSA-N 2 2 331.464 1.577 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000352040655 445455801 /nfs/dbraw/zinc/45/58/01/445455801.db2.gz RBQNXTKIWOOZIE-DOTOQJQBSA-N 2 2 343.537 1.477 20 0 EDADLP Cc1nc(N(C)C)nc(NCC2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000357211746 445484284 /nfs/dbraw/zinc/48/42/84/445484284.db2.gz NPSOOCRXBHZCDP-UHFFFAOYSA-N 2 2 327.436 1.970 20 0 EDADLP Cc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)nc(N(C)C)[nH+]1 ZINC000357211746 445484290 /nfs/dbraw/zinc/48/42/90/445484290.db2.gz NPSOOCRXBHZCDP-UHFFFAOYSA-N 2 2 327.436 1.970 20 0 EDADLP C[C@@H](c1cccc(NC(=O)CCOC2C[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000348991468 445468147 /nfs/dbraw/zinc/46/81/47/445468147.db2.gz GYHBYBPUHMJTEM-AWEZNQCLSA-N 2 2 333.432 1.397 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000349128333 445516564 /nfs/dbraw/zinc/51/65/64/445516564.db2.gz KFQWYFMFTORHAV-OAHLLOKOSA-N 2 2 345.447 1.786 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000349128333 445516565 /nfs/dbraw/zinc/51/65/65/445516565.db2.gz KFQWYFMFTORHAV-OAHLLOKOSA-N 2 2 345.447 1.786 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362743393 445527857 /nfs/dbraw/zinc/52/78/57/445527857.db2.gz XYRGRPJTDJJYDD-RDJZCZTQSA-N 2 2 331.460 1.537 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362743393 445527860 /nfs/dbraw/zinc/52/78/60/445527860.db2.gz XYRGRPJTDJJYDD-RDJZCZTQSA-N 2 2 331.460 1.537 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362754109 445533732 /nfs/dbraw/zinc/53/37/32/445533732.db2.gz XDPCKLBMRYNBAS-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362754109 445533735 /nfs/dbraw/zinc/53/37/35/445533735.db2.gz XDPCKLBMRYNBAS-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000355851755 445505164 /nfs/dbraw/zinc/50/51/64/445505164.db2.gz BIAMUQBDWPCARH-UHFFFAOYSA-N 2 2 338.452 1.355 20 0 EDADLP COCC[N@@H+]1CC[C@H](N[C@H](C)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000360036140 445538332 /nfs/dbraw/zinc/53/83/32/445538332.db2.gz LVPMMMOFRZXUBE-HOJAQTOUSA-N 2 2 347.503 1.586 20 0 EDADLP COCC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000360036140 445538335 /nfs/dbraw/zinc/53/83/35/445538335.db2.gz LVPMMMOFRZXUBE-HOJAQTOUSA-N 2 2 347.503 1.586 20 0 EDADLP COCC[NH+]1CC[C@H](N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000360036140 445538340 /nfs/dbraw/zinc/53/83/40/445538340.db2.gz LVPMMMOFRZXUBE-HOJAQTOUSA-N 2 2 347.503 1.586 20 0 EDADLP COCC[NH+]1CC[C@H](N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000360036140 445538344 /nfs/dbraw/zinc/53/83/44/445538344.db2.gz LVPMMMOFRZXUBE-HOJAQTOUSA-N 2 2 347.503 1.586 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000362778696 445545782 /nfs/dbraw/zinc/54/57/82/445545782.db2.gz BKZWBDLLRCCDTN-NZSAHSFTSA-N 2 2 345.487 1.244 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000362778696 445545786 /nfs/dbraw/zinc/54/57/86/445545786.db2.gz BKZWBDLLRCCDTN-NZSAHSFTSA-N 2 2 345.487 1.244 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000360226312 445640608 /nfs/dbraw/zinc/64/06/08/445640608.db2.gz WCHSYCSJYJQORF-NVXWUHKLSA-N 2 2 332.448 1.008 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000360226312 445640611 /nfs/dbraw/zinc/64/06/11/445640611.db2.gz WCHSYCSJYJQORF-NVXWUHKLSA-N 2 2 332.448 1.008 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)([NH+](C)C)C1 ZINC000356185595 445667397 /nfs/dbraw/zinc/66/73/97/445667397.db2.gz FDTRYRVVPFDRCH-NUJGCVRESA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NCC[N@H+]2CCOC[C@H]2C)([NH+](C)C)C1 ZINC000356185595 445667401 /nfs/dbraw/zinc/66/74/01/445667401.db2.gz FDTRYRVVPFDRCH-NUJGCVRESA-N 2 2 340.512 1.517 20 0 EDADLP CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363111089 445682992 /nfs/dbraw/zinc/68/29/92/445682992.db2.gz OXMRSJPIPPHTJS-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363111089 445682996 /nfs/dbraw/zinc/68/29/96/445682996.db2.gz OXMRSJPIPPHTJS-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP COc1ncccc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363128157 445688553 /nfs/dbraw/zinc/68/85/53/445688553.db2.gz LTGGCNMWNFGVFP-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP COc1ncccc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363128157 445688557 /nfs/dbraw/zinc/68/85/57/445688557.db2.gz LTGGCNMWNFGVFP-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP C[N@H+](CCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1)C1CCCC1 ZINC000360388883 445704385 /nfs/dbraw/zinc/70/43/85/445704385.db2.gz KQVGBWMTWAOHSV-UHFFFAOYSA-N 2 2 336.524 1.537 20 0 EDADLP C[N@@H+](CCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1)C1CCCC1 ZINC000360388883 445704389 /nfs/dbraw/zinc/70/43/89/445704389.db2.gz KQVGBWMTWAOHSV-UHFFFAOYSA-N 2 2 336.524 1.537 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)cs1 ZINC000353592146 445670314 /nfs/dbraw/zinc/67/03/14/445670314.db2.gz QXRCKZAKNPTQAY-QGZVFWFLSA-N 2 2 336.505 1.876 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)cs1 ZINC000353592146 445670318 /nfs/dbraw/zinc/67/03/18/445670318.db2.gz QXRCKZAKNPTQAY-QGZVFWFLSA-N 2 2 336.505 1.876 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000349976882 445739942 /nfs/dbraw/zinc/73/99/42/445739942.db2.gz XLDUCEPBZLYATI-LJQANCHMSA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000349976882 445739947 /nfs/dbraw/zinc/73/99/47/445739947.db2.gz XLDUCEPBZLYATI-LJQANCHMSA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[NH+](CCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000349976882 445739950 /nfs/dbraw/zinc/73/99/50/445739950.db2.gz XLDUCEPBZLYATI-LJQANCHMSA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[NH+](CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000349976882 445739954 /nfs/dbraw/zinc/73/99/54/445739954.db2.gz XLDUCEPBZLYATI-LJQANCHMSA-N 2 2 343.471 1.656 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000363302926 445757839 /nfs/dbraw/zinc/75/78/39/445757839.db2.gz MGRQSGKUBREEMA-UHFFFAOYSA-N 2 2 332.448 1.645 20 0 EDADLP COCCN(C)c1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000361571217 445824784 /nfs/dbraw/zinc/82/47/84/445824784.db2.gz IRVUWPJSFVANED-UHFFFAOYSA-N 2 2 336.480 1.053 20 0 EDADLP COCCN(C)c1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000361571217 445824788 /nfs/dbraw/zinc/82/47/88/445824788.db2.gz IRVUWPJSFVANED-UHFFFAOYSA-N 2 2 336.480 1.053 20 0 EDADLP CO[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000350414975 445825834 /nfs/dbraw/zinc/82/58/34/445825834.db2.gz PKDGTPWDOVZEHH-INIZCTEOSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccnn3C)CC2)C[C@@H](C)O1 ZINC000358878037 445827840 /nfs/dbraw/zinc/82/78/40/445827840.db2.gz YHQHSJKLESRYKD-HZPDHXFCSA-N 2 2 336.480 1.510 20 0 EDADLP O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1CCCCC[NH+]1CCCCC1 ZINC000358999408 445881040 /nfs/dbraw/zinc/88/10/40/445881040.db2.gz VROYALYKRMQAEL-OAHLLOKOSA-N 2 2 333.436 1.529 20 0 EDADLP O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1CCCCC[NH+]1CCCCC1 ZINC000358999408 445881042 /nfs/dbraw/zinc/88/10/42/445881042.db2.gz VROYALYKRMQAEL-OAHLLOKOSA-N 2 2 333.436 1.529 20 0 EDADLP CC[C@H](C)[C@@H](OC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000356568257 445863083 /nfs/dbraw/zinc/86/30/83/445863083.db2.gz SHROIGLXQBSRBS-HVVXOQGOSA-N 2 2 337.508 1.817 20 0 EDADLP CC[C@H](C)[C@@H](OC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000356568257 445863085 /nfs/dbraw/zinc/86/30/85/445863085.db2.gz SHROIGLXQBSRBS-HVVXOQGOSA-N 2 2 337.508 1.817 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CCC[C@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000350724121 445888492 /nfs/dbraw/zinc/88/84/92/445888492.db2.gz HKKYSZQHTDSFQO-FUHWJXTLSA-N 2 2 329.444 1.942 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CCC[C@H]21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000350724121 445888495 /nfs/dbraw/zinc/88/84/95/445888495.db2.gz HKKYSZQHTDSFQO-FUHWJXTLSA-N 2 2 329.444 1.942 20 0 EDADLP CO[C@H]1CC[N@H+](CCC(=O)N2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000359038668 445901956 /nfs/dbraw/zinc/90/19/56/445901956.db2.gz GCTIWPDXUBTLSD-GJZGRUSLSA-N 2 2 337.489 1.461 20 0 EDADLP CO[C@H]1CC[N@@H+](CCC(=O)N2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000359038668 445901959 /nfs/dbraw/zinc/90/19/59/445901959.db2.gz GCTIWPDXUBTLSD-GJZGRUSLSA-N 2 2 337.489 1.461 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000359042402 445905143 /nfs/dbraw/zinc/90/51/43/445905143.db2.gz OVOZWTSBCWTXJP-HZPDHXFCSA-N 2 2 342.447 1.755 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000369126836 445942758 /nfs/dbraw/zinc/94/27/58/445942758.db2.gz NBNMJXSVDKHBIA-KRWDZBQOSA-N 2 2 346.475 1.522 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000369126836 445942764 /nfs/dbraw/zinc/94/27/64/445942764.db2.gz NBNMJXSVDKHBIA-KRWDZBQOSA-N 2 2 346.475 1.522 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n(C)c1C ZINC000366006303 445957919 /nfs/dbraw/zinc/95/79/19/445957919.db2.gz RHBQQHUFRVWNHM-MRXNPFEDSA-N 2 2 348.491 1.332 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n(C)c1C ZINC000366006303 445957926 /nfs/dbraw/zinc/95/79/26/445957926.db2.gz RHBQQHUFRVWNHM-MRXNPFEDSA-N 2 2 348.491 1.332 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3nnc(C4CC4)n3C)CC2)CC1 ZINC000369157840 445959933 /nfs/dbraw/zinc/95/99/33/445959933.db2.gz UUYUQIOOBXGKOJ-UHFFFAOYSA-N 2 2 346.523 1.685 20 0 EDADLP CC[C@@H](C[C@H](C)CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000361815955 445968985 /nfs/dbraw/zinc/96/89/85/445968985.db2.gz WIRAGPWLHCOPOP-IRXDYDNUSA-N 2 2 327.513 1.170 20 0 EDADLP CC[C@@H](C[C@H](C)CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000361815955 445968991 /nfs/dbraw/zinc/96/89/91/445968991.db2.gz WIRAGPWLHCOPOP-IRXDYDNUSA-N 2 2 327.513 1.170 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000361862946 446015606 /nfs/dbraw/zinc/01/56/06/446015606.db2.gz RXMSASFMTASQHS-MRXNPFEDSA-N 2 2 334.445 1.434 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000361862946 446015610 /nfs/dbraw/zinc/01/56/10/446015610.db2.gz RXMSASFMTASQHS-MRXNPFEDSA-N 2 2 334.445 1.434 20 0 EDADLP CCN1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000582830614 325936947 /nfs/dbraw/zinc/93/69/47/325936947.db2.gz QFCPJOGJRQCJBX-KRWDZBQOSA-N 2 2 345.491 1.879 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000365109891 446031486 /nfs/dbraw/zinc/03/14/86/446031486.db2.gz GSPNLPALWIUFIX-QGZVFWFLSA-N 2 2 332.448 1.690 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000365109891 446031492 /nfs/dbraw/zinc/03/14/92/446031492.db2.gz GSPNLPALWIUFIX-QGZVFWFLSA-N 2 2 332.448 1.690 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000351332619 446034156 /nfs/dbraw/zinc/03/41/56/446034156.db2.gz UBLLWBYWFCAFKS-IBGZPJMESA-N 3 2 332.492 1.951 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000351332619 446034160 /nfs/dbraw/zinc/03/41/60/446034160.db2.gz UBLLWBYWFCAFKS-IBGZPJMESA-N 3 2 332.492 1.951 20 0 EDADLP COc1ccc([C@H](NC[C@H](O)C[N@H+](C)C2CC2)c2[nH+]ccn2C)cc1 ZINC000583537991 326090151 /nfs/dbraw/zinc/09/01/51/326090151.db2.gz RBJWFRIPGBVRLQ-WMZOPIPTSA-N 2 2 344.459 1.563 20 0 EDADLP COc1ccc([C@H](NC[C@H](O)C[N@@H+](C)C2CC2)c2[nH+]ccn2C)cc1 ZINC000583537991 326090154 /nfs/dbraw/zinc/09/01/54/326090154.db2.gz RBJWFRIPGBVRLQ-WMZOPIPTSA-N 2 2 344.459 1.563 20 0 EDADLP CC[NH+](CC)[C@H](CNC[C@H](O)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000583858971 326153153 /nfs/dbraw/zinc/15/31/53/326153153.db2.gz KZRGHERHUSTHSJ-VQTJNVASSA-N 2 2 348.535 1.267 20 0 EDADLP CCN(CC)[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000583858971 326153156 /nfs/dbraw/zinc/15/31/56/326153156.db2.gz KZRGHERHUSTHSJ-VQTJNVASSA-N 2 2 348.535 1.267 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000584101492 326198853 /nfs/dbraw/zinc/19/88/53/326198853.db2.gz UPAGNCOAVRXOJT-UHFFFAOYSA-N 2 2 332.448 1.565 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000584101492 326198855 /nfs/dbraw/zinc/19/88/55/326198855.db2.gz UPAGNCOAVRXOJT-UHFFFAOYSA-N 2 2 332.448 1.565 20 0 EDADLP Cc1nc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)sc1C ZINC000584108722 326200749 /nfs/dbraw/zinc/20/07/49/326200749.db2.gz PRZZAKRNYNWIQL-ZOWXZIJZSA-N 2 2 327.494 1.362 20 0 EDADLP Cc1nc(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)sc1C ZINC000584108722 326200751 /nfs/dbraw/zinc/20/07/51/326200751.db2.gz PRZZAKRNYNWIQL-ZOWXZIJZSA-N 2 2 327.494 1.362 20 0 EDADLP Cc1csc(=O)n1CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373174770 446073641 /nfs/dbraw/zinc/07/36/41/446073641.db2.gz COBSEDRSPDOIRS-AWEZNQCLSA-N 2 2 338.521 1.319 20 0 EDADLP Cc1csc(=O)n1CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373174770 446073645 /nfs/dbraw/zinc/07/36/45/446073645.db2.gz COBSEDRSPDOIRS-AWEZNQCLSA-N 2 2 338.521 1.319 20 0 EDADLP Cc1csc(=O)n1CCN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373174770 446073650 /nfs/dbraw/zinc/07/36/50/446073650.db2.gz COBSEDRSPDOIRS-AWEZNQCLSA-N 2 2 338.521 1.319 20 0 EDADLP Cc1csc(=O)n1CCN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373174770 446073653 /nfs/dbraw/zinc/07/36/53/446073653.db2.gz COBSEDRSPDOIRS-AWEZNQCLSA-N 2 2 338.521 1.319 20 0 EDADLP CC[C@H](C(=O)NCC1(N2CC[NH+](C)CC2)CCCCCC1)[NH+](C)C ZINC000366295617 446134832 /nfs/dbraw/zinc/13/48/32/446134832.db2.gz MIMJPISLASNDQT-QGZVFWFLSA-N 2 2 338.540 1.783 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000366300724 446137867 /nfs/dbraw/zinc/13/78/67/446137867.db2.gz UWEYMUVVXUUXHQ-NVXWUHKLSA-N 2 2 333.480 1.151 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365229505 446089448 /nfs/dbraw/zinc/08/94/48/446089448.db2.gz UQMZLQNDLGHAHH-UHFFFAOYSA-N 2 2 330.436 1.386 20 0 EDADLP Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369362426 446102864 /nfs/dbraw/zinc/10/28/64/446102864.db2.gz FPFZLLLSIADHFH-DZGCQCFKSA-N 2 2 348.495 1.257 20 0 EDADLP Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369362426 446102872 /nfs/dbraw/zinc/10/28/72/446102872.db2.gz FPFZLLLSIADHFH-DZGCQCFKSA-N 2 2 348.495 1.257 20 0 EDADLP Cc1cccnc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365261126 446109349 /nfs/dbraw/zinc/10/93/49/446109349.db2.gz VTQWJBPIAZLFEI-HNNXBMFYSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1cccnc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365261126 446109354 /nfs/dbraw/zinc/10/93/54/446109354.db2.gz VTQWJBPIAZLFEI-HNNXBMFYSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000366257024 446110142 /nfs/dbraw/zinc/11/01/42/446110142.db2.gz RAYIFQIHWRGFTP-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000366257024 446110146 /nfs/dbraw/zinc/11/01/46/446110146.db2.gz RAYIFQIHWRGFTP-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366257024 446110151 /nfs/dbraw/zinc/11/01/51/446110151.db2.gz RAYIFQIHWRGFTP-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366257024 446110153 /nfs/dbraw/zinc/11/01/53/446110153.db2.gz RAYIFQIHWRGFTP-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000356905213 446112539 /nfs/dbraw/zinc/11/25/39/446112539.db2.gz KJAIYZOCIBAVIH-YESZJQIVSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000356905213 446112543 /nfs/dbraw/zinc/11/25/43/446112543.db2.gz KJAIYZOCIBAVIH-YESZJQIVSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000356905213 446112548 /nfs/dbraw/zinc/11/25/48/446112548.db2.gz KJAIYZOCIBAVIH-YESZJQIVSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000356905213 446112553 /nfs/dbraw/zinc/11/25/53/446112553.db2.gz KJAIYZOCIBAVIH-YESZJQIVSA-N 2 2 333.476 1.420 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000373336569 446169226 /nfs/dbraw/zinc/16/92/26/446169226.db2.gz GSVXXOACUNGUCP-INIZCTEOSA-N 2 2 325.478 1.725 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000373336569 446169232 /nfs/dbraw/zinc/16/92/32/446169232.db2.gz GSVXXOACUNGUCP-INIZCTEOSA-N 2 2 325.478 1.725 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCCC1)C1CC1 ZINC000351575711 446171885 /nfs/dbraw/zinc/17/18/85/446171885.db2.gz UCPSXMTYKLMKEF-INIZCTEOSA-N 2 2 325.497 1.506 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCCC1)C1CC1 ZINC000351575711 446171890 /nfs/dbraw/zinc/17/18/90/446171890.db2.gz UCPSXMTYKLMKEF-INIZCTEOSA-N 2 2 325.497 1.506 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CCO1 ZINC000354394481 446173136 /nfs/dbraw/zinc/17/31/36/446173136.db2.gz OYOANNVZAXLJMN-SFHVURJKSA-N 2 2 342.443 1.263 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000354401505 446179792 /nfs/dbraw/zinc/17/97/92/446179792.db2.gz PIUFJZXQVHGQKJ-JKSUJKDBSA-N 2 2 332.448 1.331 20 0 EDADLP OCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1 ZINC000359380941 446186083 /nfs/dbraw/zinc/18/60/83/446186083.db2.gz DHKNCPRGIBUWHT-IBGZPJMESA-N 2 2 333.476 1.813 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CC(=O)N1CCNC1=O ZINC000370171297 446187731 /nfs/dbraw/zinc/18/77/31/446187731.db2.gz YDBCSUVVIVVRFR-NVXWUHKLSA-N 2 2 344.459 1.381 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CC(=O)N1CCNC1=O ZINC000370171297 446187737 /nfs/dbraw/zinc/18/77/37/446187737.db2.gz YDBCSUVVIVVRFR-NVXWUHKLSA-N 2 2 344.459 1.381 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CC(=O)N1CCNC1=O ZINC000370171297 446187740 /nfs/dbraw/zinc/18/77/40/446187740.db2.gz YDBCSUVVIVVRFR-NVXWUHKLSA-N 2 2 344.459 1.381 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CC(=O)N1CCNC1=O ZINC000370171297 446187745 /nfs/dbraw/zinc/18/77/45/446187745.db2.gz YDBCSUVVIVVRFR-NVXWUHKLSA-N 2 2 344.459 1.381 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@](C)(O)CC3)C2)CC1 ZINC000366317013 446146774 /nfs/dbraw/zinc/14/67/74/446146774.db2.gz WUBWLGHCSOSKGN-YJBOKZPZSA-N 2 2 338.496 1.101 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@](C)(O)CC3)C2)CC1 ZINC000366317013 446146778 /nfs/dbraw/zinc/14/67/78/446146778.db2.gz WUBWLGHCSOSKGN-YJBOKZPZSA-N 2 2 338.496 1.101 20 0 EDADLP COC1(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CCOCC1 ZINC000365447108 446210396 /nfs/dbraw/zinc/21/03/96/446210396.db2.gz AONRGAVYKHHWMO-WBVHZDCISA-N 2 2 336.480 1.588 20 0 EDADLP COC1(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CCOCC1 ZINC000365447108 446210404 /nfs/dbraw/zinc/21/04/04/446210404.db2.gz AONRGAVYKHHWMO-WBVHZDCISA-N 2 2 336.480 1.588 20 0 EDADLP CO[C@@](C)(CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000362102217 446214348 /nfs/dbraw/zinc/21/43/48/446214348.db2.gz MIKTXUDETRZNSV-KRWDZBQOSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)[C@H]1CCCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000365481534 446226529 /nfs/dbraw/zinc/22/65/29/446226529.db2.gz FWYOJSUYWKAYKF-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP C[NH+](C)[C@H]1CCCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000365481534 446226534 /nfs/dbraw/zinc/22/65/34/446226534.db2.gz FWYOJSUYWKAYKF-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366471903 446228338 /nfs/dbraw/zinc/22/83/38/446228338.db2.gz KPAXXRDIQVPJCB-DOTOQJQBSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000366471903 446228342 /nfs/dbraw/zinc/22/83/42/446228342.db2.gz KPAXXRDIQVPJCB-DOTOQJQBSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366471903 446228347 /nfs/dbraw/zinc/22/83/47/446228347.db2.gz KPAXXRDIQVPJCB-DOTOQJQBSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366471903 446228352 /nfs/dbraw/zinc/22/83/52/446228352.db2.gz KPAXXRDIQVPJCB-DOTOQJQBSA-N 2 2 338.496 1.223 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000365499234 446232729 /nfs/dbraw/zinc/23/27/29/446232729.db2.gz WNUZIIVONOINJG-HUUCEWRRSA-N 2 2 349.504 1.065 20 0 EDADLP CN(C(=O)NC[C@]1(C)CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373503265 446240545 /nfs/dbraw/zinc/24/05/45/446240545.db2.gz BKVVTCFNRKSIIU-WMZOPIPTSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NC[C@]1(C)CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373503265 446240549 /nfs/dbraw/zinc/24/05/49/446240549.db2.gz BKVVTCFNRKSIIU-WMZOPIPTSA-N 2 2 338.496 1.365 20 0 EDADLP CO[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373503419 446240921 /nfs/dbraw/zinc/24/09/21/446240921.db2.gz CQVLJRBTEFBYIB-YESZJQIVSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373503419 446240924 /nfs/dbraw/zinc/24/09/24/446240924.db2.gz CQVLJRBTEFBYIB-YESZJQIVSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552516 446251392 /nfs/dbraw/zinc/25/13/92/446251392.db2.gz YWLIGTFWOXRQNR-FGTMMUONSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552516 446251396 /nfs/dbraw/zinc/25/13/96/446251396.db2.gz YWLIGTFWOXRQNR-FGTMMUONSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552516 446251399 /nfs/dbraw/zinc/25/13/99/446251399.db2.gz YWLIGTFWOXRQNR-FGTMMUONSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552516 446251403 /nfs/dbraw/zinc/25/14/03/446251403.db2.gz YWLIGTFWOXRQNR-FGTMMUONSA-N 2 2 337.508 1.581 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC)CC1 ZINC000362186953 446251467 /nfs/dbraw/zinc/25/14/67/446251467.db2.gz ORXMIIGMSVIAEQ-OAHLLOKOSA-N 2 2 327.469 1.106 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC)CC1 ZINC000362186953 446251470 /nfs/dbraw/zinc/25/14/70/446251470.db2.gz ORXMIIGMSVIAEQ-OAHLLOKOSA-N 2 2 327.469 1.106 20 0 EDADLP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000366635239 446287959 /nfs/dbraw/zinc/28/79/59/446287959.db2.gz XCKDQMWJOGGXFX-FHLIZLRMSA-N 2 2 328.460 1.645 20 0 EDADLP CC[C@](C)(OC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000359578668 446302024 /nfs/dbraw/zinc/30/20/24/446302024.db2.gz POUVGSFFPHTJNH-KRWDZBQOSA-N 2 2 325.497 1.868 20 0 EDADLP C[NH+](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000373697613 446306480 /nfs/dbraw/zinc/30/64/80/446306480.db2.gz AZUBZZCKWCIEIF-ARFHVFGLSA-N 2 2 341.496 1.942 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)CCC2 ZINC000366688047 446310646 /nfs/dbraw/zinc/31/06/46/446310646.db2.gz NHOHIJQGFOMUMD-XHSDSOJGSA-N 2 2 349.479 1.477 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1C[N@H+](C3CC3)C[C@H]1C)CCC2 ZINC000366687468 446311001 /nfs/dbraw/zinc/31/10/01/446311001.db2.gz LIQKAJHYZRCRGB-IVMMDQJWSA-N 2 2 331.464 1.851 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C3CC3)C[C@H]1C)CCC2 ZINC000366687468 446311003 /nfs/dbraw/zinc/31/10/03/446311003.db2.gz LIQKAJHYZRCRGB-IVMMDQJWSA-N 2 2 331.464 1.851 20 0 EDADLP CCOC1CC(O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000370525769 446318059 /nfs/dbraw/zinc/31/80/59/446318059.db2.gz HFVQJYMDYRJUFG-BARLLCKDSA-N 2 2 333.476 1.812 20 0 EDADLP CCOC1CC(O)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000370525769 446318060 /nfs/dbraw/zinc/31/80/60/446318060.db2.gz HFVQJYMDYRJUFG-BARLLCKDSA-N 2 2 333.476 1.812 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1C ZINC000365803220 446348748 /nfs/dbraw/zinc/34/87/48/446348748.db2.gz AGPPSLDVGSMIKB-GOSISDBHSA-N 2 2 333.476 1.500 20 0 EDADLP C[C@H]1C[NH+](CCC2CC[NH+](CC3N=NC(=O)S3)CC2)C[C@H](C)O1 ZINC000373754517 446326469 /nfs/dbraw/zinc/32/64/69/446326469.db2.gz QHDRGSVKORQGTL-STQMWFEESA-N 2 2 340.493 1.955 20 0 EDADLP CCCN(CC(C)(C)O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370577637 446340472 /nfs/dbraw/zinc/34/04/72/446340472.db2.gz KBAMKRUNCXQFLA-OAHLLOKOSA-N 2 2 340.512 1.347 20 0 EDADLP CCCN(CC(C)(C)O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370577637 446340477 /nfs/dbraw/zinc/34/04/77/446340477.db2.gz KBAMKRUNCXQFLA-OAHLLOKOSA-N 2 2 340.512 1.347 20 0 EDADLP Cn1cc(N2CC[C@H]([NH2+]C3CC[NH+](Cc4ccncc4)CC3)C2)cn1 ZINC000370616120 446359457 /nfs/dbraw/zinc/35/94/57/446359457.db2.gz ODARIQLOOOKYHS-SFHVURJKSA-N 2 2 340.475 1.648 20 0 EDADLP COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000370617119 446360390 /nfs/dbraw/zinc/36/03/90/446360390.db2.gz ZNTYAPKABRWIDG-LPHOPBHVSA-N 2 2 345.487 1.679 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000366844199 446379581 /nfs/dbraw/zinc/37/95/81/446379581.db2.gz QLQGOMBZYJDFNV-DOMZBBRYSA-N 2 2 342.374 1.681 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000366844199 446379583 /nfs/dbraw/zinc/37/95/83/446379583.db2.gz QLQGOMBZYJDFNV-DOMZBBRYSA-N 2 2 342.374 1.681 20 0 EDADLP CCn1c[nH+]cc1C[NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000417925199 446386791 /nfs/dbraw/zinc/38/67/91/446386791.db2.gz JHTXZYLMWQHNOR-KRWDZBQOSA-N 2 2 328.416 1.802 20 0 EDADLP CCn1cncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000417939603 446391791 /nfs/dbraw/zinc/39/17/91/446391791.db2.gz KFGMKBTTYJGMQV-MJGOQNOKSA-N 2 2 328.460 1.876 20 0 EDADLP CCn1cncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000417939603 446391795 /nfs/dbraw/zinc/39/17/95/446391795.db2.gz KFGMKBTTYJGMQV-MJGOQNOKSA-N 2 2 328.460 1.876 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944553 446394571 /nfs/dbraw/zinc/39/45/71/446394571.db2.gz CMBYTUFZWAXNLI-NILFDRSVSA-N 2 2 326.391 1.747 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944553 446394578 /nfs/dbraw/zinc/39/45/78/446394578.db2.gz CMBYTUFZWAXNLI-NILFDRSVSA-N 2 2 326.391 1.747 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[C@@H](N4CC[NH2+]CC4)C3)nc[nH+]2)C1 ZINC000420251987 446433838 /nfs/dbraw/zinc/43/38/38/446433838.db2.gz NDFZLYBDIDCTRN-HZPDHXFCSA-N 2 2 330.480 1.197 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000431797958 446434810 /nfs/dbraw/zinc/43/48/10/446434810.db2.gz GBKZLMBEORPMEJ-HIFRSBDPSA-N 2 2 347.463 1.831 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000431797958 446434814 /nfs/dbraw/zinc/43/48/14/446434814.db2.gz GBKZLMBEORPMEJ-HIFRSBDPSA-N 2 2 347.463 1.831 20 0 EDADLP C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374909838 446452794 /nfs/dbraw/zinc/45/27/94/446452794.db2.gz IZYCIXLVXJTNTG-FUHWJXTLSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374909838 446452801 /nfs/dbraw/zinc/45/28/01/446452801.db2.gz IZYCIXLVXJTNTG-FUHWJXTLSA-N 2 2 331.460 1.613 20 0 EDADLP CN1CC[NH2+]C[C@H]1CNc1[nH+]ccc2cc(Br)ccc21 ZINC000420269922 446442035 /nfs/dbraw/zinc/44/20/35/446442035.db2.gz JAAKBLOKBBQJCO-ZDUSSCGKSA-N 2 2 335.249 2.313 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279888 446448071 /nfs/dbraw/zinc/44/80/71/446448071.db2.gz XQHRJRFDGLYOAW-WMZOPIPTSA-N 3 2 332.492 1.337 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279888 446448077 /nfs/dbraw/zinc/44/80/77/446448077.db2.gz XQHRJRFDGLYOAW-WMZOPIPTSA-N 3 2 332.492 1.337 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411162034 446414511 /nfs/dbraw/zinc/41/45/11/446414511.db2.gz CEGXXOSVIPCVQZ-UHFFFAOYSA-N 2 2 331.460 1.735 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c(C)[nH+]1 ZINC000411173058 446418113 /nfs/dbraw/zinc/41/81/13/446418113.db2.gz KUERNHBGXDMVMT-UHFFFAOYSA-N 2 2 341.415 1.959 20 0 EDADLP COc1cccc([C@H](NC(=O)C[C@@H]2CCC[NH2+]2)c2[nH+]ccn2C)c1 ZINC000370763462 446423449 /nfs/dbraw/zinc/42/34/49/446423449.db2.gz LIMYMRDUUMOUNF-YOEHRIQHSA-N 2 2 328.416 1.776 20 0 EDADLP C[NH2+]CC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000420294501 446457846 /nfs/dbraw/zinc/45/78/46/446457846.db2.gz OOKSABJKFCRSLU-AWEZNQCLSA-N 2 2 340.265 1.907 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420307765 446470720 /nfs/dbraw/zinc/47/07/20/446470720.db2.gz MMCZVZFXVVQVFQ-QEJZJMRPSA-N 2 2 331.416 1.471 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420307765 446470722 /nfs/dbraw/zinc/47/07/22/446470722.db2.gz MMCZVZFXVVQVFQ-QEJZJMRPSA-N 2 2 331.416 1.471 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cn3cccnc3n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030839 446476189 /nfs/dbraw/zinc/47/61/89/446476189.db2.gz RZWLYCDZXISMRT-WBVHZDCISA-N 2 2 328.464 1.187 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cn3cccnc3n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030839 446476192 /nfs/dbraw/zinc/47/61/92/446476192.db2.gz RZWLYCDZXISMRT-WBVHZDCISA-N 2 2 328.464 1.187 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000420315156 446480062 /nfs/dbraw/zinc/48/00/62/446480062.db2.gz WMZRWRVQRGABEM-NWDGAFQWSA-N 2 2 339.461 1.841 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000420315156 446480067 /nfs/dbraw/zinc/48/00/67/446480067.db2.gz WMZRWRVQRGABEM-NWDGAFQWSA-N 2 2 339.461 1.841 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420315585 446482335 /nfs/dbraw/zinc/48/23/35/446482335.db2.gz WVUIQAMCISGCLY-AEGPPILISA-N 2 2 331.416 1.471 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420315585 446482339 /nfs/dbraw/zinc/48/23/39/446482339.db2.gz WVUIQAMCISGCLY-AEGPPILISA-N 2 2 331.416 1.471 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000420319884 446486397 /nfs/dbraw/zinc/48/63/97/446486397.db2.gz AUZTZHYFBQGXNF-CQSZACIVSA-N 2 2 335.423 1.760 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000420319884 446486407 /nfs/dbraw/zinc/48/64/07/446486407.db2.gz AUZTZHYFBQGXNF-CQSZACIVSA-N 2 2 335.423 1.760 20 0 EDADLP COC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]C1 ZINC000423362231 446501444 /nfs/dbraw/zinc/50/14/44/446501444.db2.gz MZDYKNNYQBRGGJ-KRWDZBQOSA-N 2 2 332.379 1.254 20 0 EDADLP [NH3+][C@H](C(=O)NCc1ccccc1OCC[NH+]1CCOCC1)C1CCC1 ZINC000423371973 446504853 /nfs/dbraw/zinc/50/48/53/446504853.db2.gz VPZWFNIZGPNGPO-SFHVURJKSA-N 2 2 347.459 1.141 20 0 EDADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CS(C)(=O)=O)CC2)cs1 ZINC000375006929 446508438 /nfs/dbraw/zinc/50/84/38/446508438.db2.gz XCOMDOAWWYOGFX-GFCCVEGCSA-N 2 2 345.534 1.686 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@H+](C)C2CC([NH3+])C2)cc1Cl ZINC000420331337 446500740 /nfs/dbraw/zinc/50/07/40/446500740.db2.gz MJTVIVUVFRRCGH-UHFFFAOYSA-N 2 2 327.812 1.717 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)cc1Cl ZINC000420331337 446500745 /nfs/dbraw/zinc/50/07/45/446500745.db2.gz MJTVIVUVFRRCGH-UHFFFAOYSA-N 2 2 327.812 1.717 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000367545974 446560173 /nfs/dbraw/zinc/56/01/73/446560173.db2.gz AMLRMSIJIJVZAS-IRXDYDNUSA-N 2 2 337.508 1.726 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CCO1 ZINC000418483986 446561168 /nfs/dbraw/zinc/56/11/68/446561168.db2.gz GALHHFOMQIQDJV-RHSMWYFYSA-N 2 2 334.464 1.616 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CCO1 ZINC000418483986 446561172 /nfs/dbraw/zinc/56/11/72/446561172.db2.gz GALHHFOMQIQDJV-RHSMWYFYSA-N 2 2 334.464 1.616 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423527847 446562919 /nfs/dbraw/zinc/56/29/19/446562919.db2.gz WCNLRDBMDRIXMA-JSXRDJHFSA-N 3 2 342.531 1.780 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423527847 446562923 /nfs/dbraw/zinc/56/29/23/446562923.db2.gz WCNLRDBMDRIXMA-JSXRDJHFSA-N 3 2 342.531 1.780 20 0 EDADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420388016 446563244 /nfs/dbraw/zinc/56/32/44/446563244.db2.gz KQABZFAWYZQQRJ-GOSISDBHSA-N 2 2 333.476 1.518 20 0 EDADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420388016 446563248 /nfs/dbraw/zinc/56/32/48/446563248.db2.gz KQABZFAWYZQQRJ-GOSISDBHSA-N 2 2 333.476 1.518 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000420387830 446563259 /nfs/dbraw/zinc/56/32/59/446563259.db2.gz WPLUGRYDUTYKHO-UKRRQHHQSA-N 2 2 332.448 1.244 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@H]1C[NH3+] ZINC000420387830 446563264 /nfs/dbraw/zinc/56/32/64/446563264.db2.gz WPLUGRYDUTYKHO-UKRRQHHQSA-N 2 2 332.448 1.244 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418492002 446563261 /nfs/dbraw/zinc/56/32/61/446563261.db2.gz UIONKQWRJKRFJQ-FBBHTEKVSA-N 2 2 330.423 1.436 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420389078 446564728 /nfs/dbraw/zinc/56/47/28/446564728.db2.gz LXLUYUSWHWTOSA-SFHVURJKSA-N 2 2 349.475 1.182 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420389078 446564733 /nfs/dbraw/zinc/56/47/33/446564733.db2.gz LXLUYUSWHWTOSA-SFHVURJKSA-N 2 2 349.475 1.182 20 0 EDADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000423533947 446565146 /nfs/dbraw/zinc/56/51/46/446565146.db2.gz UVAQMCBOUBWTOJ-JEBQAFNWSA-N 2 2 345.468 1.740 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000423395805 446516871 /nfs/dbraw/zinc/51/68/71/446516871.db2.gz RYIZFXOILBDULH-QGZVFWFLSA-N 3 2 336.524 1.439 20 0 EDADLP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC[NH2+]CC1 ZINC000423404078 446520257 /nfs/dbraw/zinc/52/02/57/446520257.db2.gz IIAQGRNSWYVCJN-PKOBYXMFSA-N 3 2 346.519 1.898 20 0 EDADLP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC[NH2+]CC1 ZINC000423404078 446520258 /nfs/dbraw/zinc/52/02/58/446520258.db2.gz IIAQGRNSWYVCJN-PKOBYXMFSA-N 3 2 346.519 1.898 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ncnn3C(C)(C)C)C2)CC1 ZINC000367289338 446531267 /nfs/dbraw/zinc/53/12/67/446531267.db2.gz KHUBEMKRACPGRL-MRXNPFEDSA-N 2 2 334.512 1.635 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ncnn3C(C)(C)C)C2)CC1 ZINC000367289338 446531275 /nfs/dbraw/zinc/53/12/75/446531275.db2.gz KHUBEMKRACPGRL-MRXNPFEDSA-N 2 2 334.512 1.635 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352226 446532303 /nfs/dbraw/zinc/53/23/03/446532303.db2.gz ZFEMMVOQCMZAQM-GXTWGEPZSA-N 2 2 338.402 1.271 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352226 446532309 /nfs/dbraw/zinc/53/23/09/446532309.db2.gz ZFEMMVOQCMZAQM-GXTWGEPZSA-N 2 2 338.402 1.271 20 0 EDADLP C[C@H]1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000375042672 446537503 /nfs/dbraw/zinc/53/75/03/446537503.db2.gz UDEFZYJBTBZEEH-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](C)[NH3+] ZINC000423442337 446539731 /nfs/dbraw/zinc/53/97/31/446539731.db2.gz JXLRAMHDNYWNNG-MJBXVCDLSA-N 2 2 341.477 1.094 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)CC1 ZINC000420362981 446543320 /nfs/dbraw/zinc/54/33/20/446543320.db2.gz NOKPJXVPVCQMAG-GOSISDBHSA-N 3 2 346.519 1.602 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN[C@H](C[NH3+])C(C)(C)C)CC1 ZINC000420362981 446543326 /nfs/dbraw/zinc/54/33/26/446543326.db2.gz NOKPJXVPVCQMAG-GOSISDBHSA-N 2 2 346.519 1.602 20 0 EDADLP COc1ccc([C@H](C[NH3+])CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000420363851 446544966 /nfs/dbraw/zinc/54/49/66/446544966.db2.gz PUGPAWYLJBXSCS-LJQANCHMSA-N 2 2 340.471 1.950 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000420363851 446544967 /nfs/dbraw/zinc/54/49/67/446544967.db2.gz PUGPAWYLJBXSCS-LJQANCHMSA-N 2 2 340.471 1.950 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C(C)C ZINC000433223007 446548510 /nfs/dbraw/zinc/54/85/10/446548510.db2.gz ZHEDOTDZLJRQKO-GDBMZVCRSA-N 2 2 337.468 1.670 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C(C)C ZINC000433223007 446548520 /nfs/dbraw/zinc/54/85/20/446548520.db2.gz ZHEDOTDZLJRQKO-GDBMZVCRSA-N 2 2 337.468 1.670 20 0 EDADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420378366 446554487 /nfs/dbraw/zinc/55/44/87/446554487.db2.gz MBSCFJAMOJNLRH-XBFCOCLRSA-N 2 2 338.477 1.688 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)c2ccccc21 ZINC000423498158 446554634 /nfs/dbraw/zinc/55/46/34/446554634.db2.gz BLVFFPSANULKSS-OLMNPRSZSA-N 2 2 331.460 1.661 20 0 EDADLP c1cncc(C[NH+]2CCC([NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000453359592 446555849 /nfs/dbraw/zinc/55/58/49/446555849.db2.gz UOTPHABMRFCWCZ-KDURUIRLSA-N 2 2 330.476 1.499 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418612968 446616298 /nfs/dbraw/zinc/61/62/98/446616298.db2.gz FILDSVKAANVUDH-INIZCTEOSA-N 2 2 331.464 1.739 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000420393276 446569129 /nfs/dbraw/zinc/56/91/29/446569129.db2.gz XICFJNIVSFECBW-HUUCEWRRSA-N 2 2 335.448 1.215 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000420393276 446569131 /nfs/dbraw/zinc/56/91/31/446569131.db2.gz XICFJNIVSFECBW-HUUCEWRRSA-N 2 2 335.448 1.215 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420395662 446569525 /nfs/dbraw/zinc/56/95/25/446569525.db2.gz UGBDKSFRDIQNJW-SFHVURJKSA-N 2 2 349.475 1.190 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420395662 446569532 /nfs/dbraw/zinc/56/95/32/446569532.db2.gz UGBDKSFRDIQNJW-SFHVURJKSA-N 2 2 349.475 1.190 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000375119882 446592160 /nfs/dbraw/zinc/59/21/60/446592160.db2.gz RVPFQDTWRIGBGC-INIZCTEOSA-N 2 2 349.479 1.375 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000375119882 446592167 /nfs/dbraw/zinc/59/21/67/446592167.db2.gz RVPFQDTWRIGBGC-INIZCTEOSA-N 2 2 349.479 1.375 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423686458 446640237 /nfs/dbraw/zinc/64/02/37/446640237.db2.gz ZCOQXNQAWHIPPB-RBUKOAKNSA-N 2 2 343.471 1.491 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423686458 446640249 /nfs/dbraw/zinc/64/02/49/446640249.db2.gz ZCOQXNQAWHIPPB-RBUKOAKNSA-N 2 2 343.471 1.491 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000434413977 446645600 /nfs/dbraw/zinc/64/56/00/446645600.db2.gz AVAPCAWTSYHQDW-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP CCO[C@@H]1C[C@@H]1C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000376681483 446647457 /nfs/dbraw/zinc/64/74/57/446647457.db2.gz RELWUBLHTFHXEH-XHSDSOJGSA-N 2 2 346.475 1.799 20 0 EDADLP CCCS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420474211 446648180 /nfs/dbraw/zinc/64/81/80/446648180.db2.gz XFDLMJGLQOAEPT-UHFFFAOYSA-N 2 2 325.478 1.309 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000418690533 446648429 /nfs/dbraw/zinc/64/84/29/446648429.db2.gz HDGJNGRPXYYZLJ-HZPDHXFCSA-N 2 2 333.480 1.987 20 0 EDADLP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000423715238 446655537 /nfs/dbraw/zinc/65/55/37/446655537.db2.gz UHRSPWBMTZAXCS-QAPCUYQASA-N 2 2 333.863 1.984 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000418731147 446658140 /nfs/dbraw/zinc/65/81/40/446658140.db2.gz SVMRBLMOVCLDGV-NVXWUHKLSA-N 2 2 331.464 1.426 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000418733902 446658970 /nfs/dbraw/zinc/65/89/70/446658970.db2.gz RRYSDRNTKKIRLX-AWEZNQCLSA-N 2 2 334.468 1.477 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000376701467 446661493 /nfs/dbraw/zinc/66/14/93/446661493.db2.gz RCKXSMHTYOMDAU-OALUTQOASA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000376701467 446661502 /nfs/dbraw/zinc/66/15/02/446661502.db2.gz RCKXSMHTYOMDAU-OALUTQOASA-N 2 2 349.519 1.964 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)cs1 ZINC000423755230 446685722 /nfs/dbraw/zinc/68/57/22/446685722.db2.gz JHHOAOBINHLHNV-CZUORRHYSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)cs1 ZINC000423755230 446685725 /nfs/dbraw/zinc/68/57/25/446685725.db2.gz JHHOAOBINHLHNV-CZUORRHYSA-N 2 2 336.505 1.874 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368181470 446690409 /nfs/dbraw/zinc/69/04/09/446690409.db2.gz VFTAZCHXELUPDV-MRXNPFEDSA-N 2 2 347.463 1.436 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368181470 446690417 /nfs/dbraw/zinc/69/04/17/446690417.db2.gz VFTAZCHXELUPDV-MRXNPFEDSA-N 2 2 347.463 1.436 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000418773426 446690719 /nfs/dbraw/zinc/69/07/19/446690719.db2.gz VGCFUVPOAUGHEV-GJZGRUSLSA-N 2 2 344.450 1.605 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000418773426 446690727 /nfs/dbraw/zinc/69/07/27/446690727.db2.gz VGCFUVPOAUGHEV-GJZGRUSLSA-N 2 2 344.450 1.605 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418796819 446708047 /nfs/dbraw/zinc/70/80/47/446708047.db2.gz UKMHYSLKJPFNAF-WBVHZDCISA-N 2 2 346.475 1.650 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423826124 446716302 /nfs/dbraw/zinc/71/63/02/446716302.db2.gz MEIFQQKYTSEHPE-GZBFAFLISA-N 2 2 339.823 1.092 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423826124 446716310 /nfs/dbraw/zinc/71/63/10/446716310.db2.gz MEIFQQKYTSEHPE-GZBFAFLISA-N 2 2 339.823 1.092 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)C[C@H]1C ZINC000423891497 446747447 /nfs/dbraw/zinc/74/74/47/446747447.db2.gz JGIQHRDGWGHOSG-RHSMWYFYSA-N 2 2 333.432 1.091 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)C[C@H]1C ZINC000423891497 446747454 /nfs/dbraw/zinc/74/74/54/446747454.db2.gz JGIQHRDGWGHOSG-RHSMWYFYSA-N 2 2 333.432 1.091 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)ccn1 ZINC000423910919 446761046 /nfs/dbraw/zinc/76/10/46/446761046.db2.gz GKHMPFWQDDWNDY-ZFWWWQNUSA-N 2 2 348.447 1.944 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)ccn1 ZINC000423910919 446761054 /nfs/dbraw/zinc/76/10/54/446761054.db2.gz GKHMPFWQDDWNDY-ZFWWWQNUSA-N 2 2 348.447 1.944 20 0 EDADLP Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000371314141 446766380 /nfs/dbraw/zinc/76/63/80/446766380.db2.gz QLQXIPNQPVRIIR-DOTOQJQBSA-N 2 2 332.448 1.885 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423921212 446770331 /nfs/dbraw/zinc/77/03/31/446770331.db2.gz UAXZPZCTXOOXHD-KKUMJFAQSA-N 2 2 339.459 1.022 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000423923377 446772891 /nfs/dbraw/zinc/77/28/91/446772891.db2.gz XOBWYKOMQTVXLB-HIFRSBDPSA-N 2 2 336.505 1.939 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000423923377 446772898 /nfs/dbraw/zinc/77/28/98/446772898.db2.gz XOBWYKOMQTVXLB-HIFRSBDPSA-N 2 2 336.505 1.939 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423923961 446773005 /nfs/dbraw/zinc/77/30/05/446773005.db2.gz YLUZWZDIFUFMPW-RDBSUJKOSA-N 2 2 327.469 1.974 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423923961 446773007 /nfs/dbraw/zinc/77/30/07/446773007.db2.gz YLUZWZDIFUFMPW-RDBSUJKOSA-N 2 2 327.469 1.974 20 0 EDADLP Cc1cc(C)c(CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)c[nH+]1 ZINC000418890489 446775900 /nfs/dbraw/zinc/77/59/00/446775900.db2.gz RQKAPQHINOXJIV-UHFFFAOYSA-N 2 2 346.475 1.743 20 0 EDADLP CC[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000375408310 446779858 /nfs/dbraw/zinc/77/98/58/446779858.db2.gz DXSQAYBHZHPYQY-MRXNPFEDSA-N 2 2 349.479 1.671 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C[C@H](C)[NH3+] ZINC000423929379 446779939 /nfs/dbraw/zinc/77/99/39/446779939.db2.gz UNAQPAJYQLLYRO-DRZSPHRISA-N 2 2 328.457 1.560 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C[C@H](C)[NH3+] ZINC000423929379 446779943 /nfs/dbraw/zinc/77/99/43/446779943.db2.gz UNAQPAJYQLLYRO-DRZSPHRISA-N 2 2 328.457 1.560 20 0 EDADLP CC(C)OCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376891728 446781357 /nfs/dbraw/zinc/78/13/57/446781357.db2.gz DXQAUHSYCRDERX-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)OCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376891728 446781364 /nfs/dbraw/zinc/78/13/64/446781364.db2.gz DXQAUHSYCRDERX-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)NC1CC[NH+](C)CC1)C1CCOCC1 ZINC000375409235 446781486 /nfs/dbraw/zinc/78/14/86/446781486.db2.gz QXJWLGABNYHRHD-INIZCTEOSA-N 2 2 349.479 1.764 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423998469 446815244 /nfs/dbraw/zinc/81/52/44/446815244.db2.gz PFIRLCMSKWEYKJ-IXDOHACOSA-N 2 2 345.491 1.807 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423998469 446815255 /nfs/dbraw/zinc/81/52/55/446815255.db2.gz PFIRLCMSKWEYKJ-IXDOHACOSA-N 2 2 345.491 1.807 20 0 EDADLP c1c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)[nH]nc1-c1cccnc1 ZINC000371395765 446830616 /nfs/dbraw/zinc/83/06/16/446830616.db2.gz JTUOYGHJBYSFBQ-UHFFFAOYSA-N 2 2 340.475 1.685 20 0 EDADLP CCOC(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000371418061 446841459 /nfs/dbraw/zinc/84/14/59/446841459.db2.gz ABYDMXTVCGGFBK-HNNXBMFYSA-N 2 2 335.448 1.668 20 0 EDADLP CCOC(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000371418061 446841465 /nfs/dbraw/zinc/84/14/65/446841465.db2.gz ABYDMXTVCGGFBK-HNNXBMFYSA-N 2 2 335.448 1.668 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423984971 446806508 /nfs/dbraw/zinc/80/65/08/446806508.db2.gz CNKBTIROLMYFKC-INIZCTEOSA-N 2 2 345.491 1.809 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423984971 446806511 /nfs/dbraw/zinc/80/65/11/446806511.db2.gz CNKBTIROLMYFKC-INIZCTEOSA-N 2 2 345.491 1.809 20 0 EDADLP CCCCCOCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371469689 446875722 /nfs/dbraw/zinc/87/57/22/446875722.db2.gz GERIYNRKHSYVLP-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180192 450437290 /nfs/dbraw/zinc/43/72/90/450437290.db2.gz VMIAHHCFVYQITI-PVAVHDDUSA-N 2 2 342.418 1.847 20 0 EDADLP CC(=O)N(C)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420903805 446881393 /nfs/dbraw/zinc/88/13/93/446881393.db2.gz OYBKDJSMYBLPSK-UHFFFAOYSA-N 2 2 345.487 1.962 20 0 EDADLP CN1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C1=O ZINC000420914354 446884856 /nfs/dbraw/zinc/88/48/56/446884856.db2.gz JRBXRKOWFHWGRO-UHFFFAOYSA-N 2 2 331.460 1.571 20 0 EDADLP CN1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C1=O ZINC000420914354 446884862 /nfs/dbraw/zinc/88/48/62/446884862.db2.gz JRBXRKOWFHWGRO-UHFFFAOYSA-N 2 2 331.460 1.571 20 0 EDADLP C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918748 446887529 /nfs/dbraw/zinc/88/75/29/446887529.db2.gz XOLKKCLRWZQEIP-CKNGIIGNSA-N 2 2 336.501 1.860 20 0 EDADLP C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420918748 446887533 /nfs/dbraw/zinc/88/75/33/446887533.db2.gz XOLKKCLRWZQEIP-CKNGIIGNSA-N 2 2 336.501 1.860 20 0 EDADLP C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920416 446888950 /nfs/dbraw/zinc/88/89/50/446888950.db2.gz JQHHNQGXLZUICQ-WAIKUNEKSA-N 2 2 336.501 1.862 20 0 EDADLP C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920416 446888955 /nfs/dbraw/zinc/88/89/55/446888955.db2.gz JQHHNQGXLZUICQ-WAIKUNEKSA-N 2 2 336.501 1.862 20 0 EDADLP C[C@H]([NH3+])C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000442662145 446928637 /nfs/dbraw/zinc/92/86/37/446928637.db2.gz GZRWNKQSRUHGEX-NWDGAFQWSA-N 2 2 331.416 1.648 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)[NH+](C)C ZINC000454642618 446931161 /nfs/dbraw/zinc/93/11/61/446931161.db2.gz LYJZSWUIYAEUTF-SMDDNHRTSA-N 2 2 328.407 1.817 20 0 EDADLP COc1cccc([C@H](C)[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371860426 446971023 /nfs/dbraw/zinc/97/10/23/446971023.db2.gz BQJJXUFAUNBLIL-LPHOPBHVSA-N 2 2 333.476 1.704 20 0 EDADLP COc1cccc([C@H](C)[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371860426 446971030 /nfs/dbraw/zinc/97/10/30/446971030.db2.gz BQJJXUFAUNBLIL-LPHOPBHVSA-N 2 2 333.476 1.704 20 0 EDADLP CN1CCO[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000420974533 446945576 /nfs/dbraw/zinc/94/55/76/446945576.db2.gz OMPXPYKDLBWDTH-RBUKOAKNSA-N 2 2 331.460 1.034 20 0 EDADLP CN1CCO[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000420974533 446945582 /nfs/dbraw/zinc/94/55/82/446945582.db2.gz OMPXPYKDLBWDTH-RBUKOAKNSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H](C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000368664555 447016323 /nfs/dbraw/zinc/01/63/23/447016323.db2.gz XCCLAUJCYJCSAY-BBWFWOEESA-N 2 2 347.507 1.716 20 0 EDADLP C[C@@H](C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000368664555 447016327 /nfs/dbraw/zinc/01/63/27/447016327.db2.gz XCCLAUJCYJCSAY-BBWFWOEESA-N 2 2 347.507 1.716 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)c1 ZINC000413127657 447020929 /nfs/dbraw/zinc/02/09/29/447020929.db2.gz VXVGEXSILIYVTP-UHFFFAOYSA-N 2 2 326.404 1.781 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)c1 ZINC000413127657 447020934 /nfs/dbraw/zinc/02/09/34/447020934.db2.gz VXVGEXSILIYVTP-UHFFFAOYSA-N 2 2 326.404 1.781 20 0 EDADLP COc1cccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1F ZINC000375697144 446984896 /nfs/dbraw/zinc/98/48/96/446984896.db2.gz LSVQBXSVDFNJJV-UHFFFAOYSA-N 2 2 335.423 1.573 20 0 EDADLP COc1cccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1F ZINC000375697144 446984906 /nfs/dbraw/zinc/98/49/06/446984906.db2.gz LSVQBXSVDFNJJV-UHFFFAOYSA-N 2 2 335.423 1.573 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454864963 446989668 /nfs/dbraw/zinc/98/96/68/446989668.db2.gz RMRIPPKMNNBANN-ULQDDVLXSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454864963 446989682 /nfs/dbraw/zinc/98/96/82/446989682.db2.gz RMRIPPKMNNBANN-ULQDDVLXSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454864963 446989690 /nfs/dbraw/zinc/98/96/90/446989690.db2.gz RMRIPPKMNNBANN-ULQDDVLXSA-N 2 2 336.480 1.118 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]12CCOC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421019072 446989922 /nfs/dbraw/zinc/98/99/22/446989922.db2.gz LYYAWZLLDKRWEC-IBGZPJMESA-N 2 2 345.443 1.322 20 0 EDADLP O=C(C[N@H+]1CC[C@@]12CCOC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421019072 446989930 /nfs/dbraw/zinc/98/99/30/446989930.db2.gz LYYAWZLLDKRWEC-IBGZPJMESA-N 2 2 345.443 1.322 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC000421030832 447002108 /nfs/dbraw/zinc/00/21/08/447002108.db2.gz YDKAZTFKTIICNW-ZHALLVOQSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC000421030832 447002116 /nfs/dbraw/zinc/00/21/16/447002116.db2.gz YDKAZTFKTIICNW-ZHALLVOQSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@H]1CN(C(=O)NCCC2(O)CCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377333734 447071190 /nfs/dbraw/zinc/07/11/90/447071190.db2.gz KGLIEPYSYNVQIH-HNNXBMFYSA-N 2 2 338.496 1.101 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443798620 447063880 /nfs/dbraw/zinc/06/38/80/447063880.db2.gz AZFUUTJHZWGCJM-QGZVFWFLSA-N 2 2 342.443 1.590 20 0 EDADLP C[C@H]1CN(C(=O)NCCC2(O)CCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377333734 447071180 /nfs/dbraw/zinc/07/11/80/447071180.db2.gz KGLIEPYSYNVQIH-HNNXBMFYSA-N 2 2 338.496 1.101 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1(C)C ZINC000444167297 447084521 /nfs/dbraw/zinc/08/45/21/447084521.db2.gz DOQHEWMHTMGYNA-QMTHXVAHSA-N 2 2 348.369 1.594 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)nn1 ZINC000377352911 447086589 /nfs/dbraw/zinc/08/65/89/447086589.db2.gz QYHGDCOGCRKOTK-PBHICJAKSA-N 2 2 331.468 1.765 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)nn1 ZINC000377352911 447086593 /nfs/dbraw/zinc/08/65/93/447086593.db2.gz QYHGDCOGCRKOTK-PBHICJAKSA-N 2 2 331.468 1.765 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@H](C4CC4)C3)C2)CC1 ZINC000377377645 447098922 /nfs/dbraw/zinc/09/89/22/447098922.db2.gz HTZQPRAOIVNBOV-IRXDYDNUSA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@H](C4CC4)C3)C2)CC1 ZINC000377377645 447098930 /nfs/dbraw/zinc/09/89/30/447098930.db2.gz HTZQPRAOIVNBOV-IRXDYDNUSA-N 2 2 334.508 1.987 20 0 EDADLP COC(=O)[C@H](CC[N@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000425392729 447140473 /nfs/dbraw/zinc/14/04/73/447140473.db2.gz HMUIUAKYGHAEDP-GOSISDBHSA-N 2 2 334.460 1.722 20 0 EDADLP COC(=O)[C@H](CC[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000425392729 447140482 /nfs/dbraw/zinc/14/04/82/447140482.db2.gz HMUIUAKYGHAEDP-GOSISDBHSA-N 2 2 334.460 1.722 20 0 EDADLP Cn1c[nH+]c(CCNc2cncc(NCCc3cn(C)c[nH+]3)n2)c1 ZINC000413386265 447166952 /nfs/dbraw/zinc/16/69/52/447166952.db2.gz UOYBMAGGGDLMCF-UHFFFAOYSA-N 2 2 326.408 1.253 20 0 EDADLP COC(=O)[C@@H](CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000425403549 447146715 /nfs/dbraw/zinc/14/67/15/447146715.db2.gz KFEJLWXFRVQFRC-KRWDZBQOSA-N 2 2 342.443 1.874 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)[nH+]c2c1 ZINC000419416936 447161458 /nfs/dbraw/zinc/16/14/58/447161458.db2.gz AJLJAHROMXJERU-HUUCEWRRSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)[nH+]c2c1 ZINC000419416936 447161468 /nfs/dbraw/zinc/16/14/68/447161468.db2.gz AJLJAHROMXJERU-HUUCEWRRSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000421559618 447186654 /nfs/dbraw/zinc/18/66/54/447186654.db2.gz OIGWLHZJTGDZPS-OAHLLOKOSA-N 2 2 332.448 1.305 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419452320 447187014 /nfs/dbraw/zinc/18/70/14/447187014.db2.gz GPTLEOCSIVVZRF-OAHLLOKOSA-N 2 2 349.479 1.179 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CCN(c3nc4c(cnn4C)c(N)[nH+]3)C2)c1 ZINC000368913097 447199950 /nfs/dbraw/zinc/19/99/50/447199950.db2.gz KCWIYVIWHZMINQ-LBPRGKRZSA-N 2 2 338.419 1.587 20 0 EDADLP COc1cccc([C@H](NC(=O)C2CC[NH+](C)CC2)c2[nH+]ccn2C)c1 ZINC000372637188 447200672 /nfs/dbraw/zinc/20/06/72/447200672.db2.gz UVADPLGKTRDAMU-KRWDZBQOSA-N 2 2 342.443 1.976 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368984024 447246937 /nfs/dbraw/zinc/24/69/37/447246937.db2.gz MPTTVHRGTLOZBS-UHFFFAOYSA-N 2 2 349.479 1.172 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000368984024 447246943 /nfs/dbraw/zinc/24/69/43/447246943.db2.gz MPTTVHRGTLOZBS-UHFFFAOYSA-N 2 2 349.479 1.172 20 0 EDADLP C[C@H]1C[NH+](CC2CCN(C(=O)NCc3[nH+]ccn3C)CC2)C[C@H](C)O1 ZINC000368981171 447243580 /nfs/dbraw/zinc/24/35/80/447243580.db2.gz QJDSAPBZHPFVQC-GJZGRUSLSA-N 2 2 349.479 1.451 20 0 EDADLP Cc1ccc(C(=O)NCC[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1F ZINC000414278183 447284179 /nfs/dbraw/zinc/28/41/79/447284179.db2.gz WLKQVMTUNLEELA-UHFFFAOYSA-N 2 2 333.411 1.453 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCCc2[nH+]ccn21 ZINC000377681787 447291163 /nfs/dbraw/zinc/29/11/63/447291163.db2.gz RHJMFJVKVNLQMJ-OAHLLOKOSA-N 2 2 341.415 1.309 20 0 EDADLP COCCn1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000377688203 447296257 /nfs/dbraw/zinc/29/62/57/447296257.db2.gz ABKSGQCZBXWBFB-DFNIBXOVSA-N 2 2 347.507 1.272 20 0 EDADLP COCCn1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000377688203 447296260 /nfs/dbraw/zinc/29/62/60/447296260.db2.gz ABKSGQCZBXWBFB-DFNIBXOVSA-N 2 2 347.507 1.272 20 0 EDADLP COCCn1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000377688203 447296265 /nfs/dbraw/zinc/29/62/65/447296265.db2.gz ABKSGQCZBXWBFB-DFNIBXOVSA-N 2 2 347.507 1.272 20 0 EDADLP COCCn1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000377688203 447296268 /nfs/dbraw/zinc/29/62/68/447296268.db2.gz ABKSGQCZBXWBFB-DFNIBXOVSA-N 2 2 347.507 1.272 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000494627866 447450951 /nfs/dbraw/zinc/45/09/51/447450951.db2.gz DOLNHXBAKJDYJV-HNNXBMFYSA-N 2 2 327.432 1.405 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@@H](C)C1 ZINC000494849109 447460868 /nfs/dbraw/zinc/46/08/68/447460868.db2.gz DFTOZVMZEMMDGD-ZFWWWQNUSA-N 2 2 331.526 1.509 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@@H](C)C1 ZINC000494849109 447460872 /nfs/dbraw/zinc/46/08/72/447460872.db2.gz DFTOZVMZEMMDGD-ZFWWWQNUSA-N 2 2 331.526 1.509 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)o1 ZINC000391609895 447515940 /nfs/dbraw/zinc/51/59/40/447515940.db2.gz IDGYYZULGNWSJT-UHFFFAOYSA-N 2 2 337.464 1.650 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000456873504 447471209 /nfs/dbraw/zinc/47/12/09/447471209.db2.gz AITGGTPQULRQHF-KRWDZBQOSA-N 2 2 336.524 1.393 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc(C)[nH+]1 ZINC000422324416 447475289 /nfs/dbraw/zinc/47/52/89/447475289.db2.gz IAMBZFRGVMLBIL-INIZCTEOSA-N 2 2 348.491 1.797 20 0 EDADLP CCNc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000450821974 447588079 /nfs/dbraw/zinc/58/80/79/447588079.db2.gz AQMZAVZCSOBVIV-YHWZYXNKSA-N 2 2 333.484 1.395 20 0 EDADLP CCNc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000450821974 447588085 /nfs/dbraw/zinc/58/80/85/447588085.db2.gz AQMZAVZCSOBVIV-YHWZYXNKSA-N 2 2 333.484 1.395 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000450821974 447588093 /nfs/dbraw/zinc/58/80/93/447588093.db2.gz AQMZAVZCSOBVIV-YHWZYXNKSA-N 2 2 333.484 1.395 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000450821974 447588098 /nfs/dbraw/zinc/58/80/98/447588098.db2.gz AQMZAVZCSOBVIV-YHWZYXNKSA-N 2 2 333.484 1.395 20 0 EDADLP CCNc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]c(NC(C)(C)C)n1 ZINC000450821974 447588105 /nfs/dbraw/zinc/58/81/05/447588105.db2.gz AQMZAVZCSOBVIV-YHWZYXNKSA-N 2 2 333.484 1.395 20 0 EDADLP CCNc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]c(NC(C)(C)C)n1 ZINC000450821974 447588108 /nfs/dbraw/zinc/58/81/08/447588108.db2.gz AQMZAVZCSOBVIV-YHWZYXNKSA-N 2 2 333.484 1.395 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000416299481 447559762 /nfs/dbraw/zinc/55/97/62/447559762.db2.gz RYVMEBCPAAWMFF-LSDHHAIUSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000416299481 447559767 /nfs/dbraw/zinc/55/97/67/447559767.db2.gz RYVMEBCPAAWMFF-LSDHHAIUSA-N 2 2 328.416 1.399 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cn(CC4CC4)nn3)CC2)CC1 ZINC000450749697 447563499 /nfs/dbraw/zinc/56/34/99/447563499.db2.gz ZSFZSDFZCHGBBY-UHFFFAOYSA-N 2 2 346.523 1.538 20 0 EDADLP COCc1cc(N(C)CC(=O)N2CC[NH2+]CC2)c2cc(F)ccc2[nH+]1 ZINC000420159805 447645764 /nfs/dbraw/zinc/64/57/64/447645764.db2.gz ZNGYTVVJPWTHBY-UHFFFAOYSA-N 2 2 346.406 1.388 20 0 EDADLP Cc1ccc(CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000459184955 447608170 /nfs/dbraw/zinc/60/81/70/447608170.db2.gz JBKPBUQWJXBYQM-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP Cc1ccc(CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000459184955 447608177 /nfs/dbraw/zinc/60/81/77/447608177.db2.gz JBKPBUQWJXBYQM-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000420145450 447634062 /nfs/dbraw/zinc/63/40/62/447634062.db2.gz OEBHOZITFOLBJN-KFWWJZLASA-N 2 2 347.463 1.213 20 0 EDADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416814283 447691430 /nfs/dbraw/zinc/69/14/30/447691430.db2.gz NGOLJDBEIKBUSF-KRWDZBQOSA-N 2 2 348.491 1.514 20 0 EDADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416814283 447691433 /nfs/dbraw/zinc/69/14/33/447691433.db2.gz NGOLJDBEIKBUSF-KRWDZBQOSA-N 2 2 348.491 1.514 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)[C@@H](C)C1 ZINC000422591743 447659730 /nfs/dbraw/zinc/65/97/30/447659730.db2.gz RNMBMFOUBAROCF-GUYCJALGSA-N 2 2 346.475 1.503 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)[C@@H](C)C1 ZINC000422591743 447659736 /nfs/dbraw/zinc/65/97/36/447659736.db2.gz RNMBMFOUBAROCF-GUYCJALGSA-N 2 2 346.475 1.503 20 0 EDADLP COCC1(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC[NH2+]CC1 ZINC000420240438 447684269 /nfs/dbraw/zinc/68/42/69/447684269.db2.gz LZMYRXPMXADBRX-LSDHHAIUSA-N 2 2 349.479 1.112 20 0 EDADLP COCC1(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC[NH2+]CC1 ZINC000420240438 447684272 /nfs/dbraw/zinc/68/42/72/447684272.db2.gz LZMYRXPMXADBRX-LSDHHAIUSA-N 2 2 349.479 1.112 20 0 EDADLP C[NH2+]CCC1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000416816151 447690656 /nfs/dbraw/zinc/69/06/56/447690656.db2.gz IRSAYVNEVDZINZ-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000416931271 447713841 /nfs/dbraw/zinc/71/38/41/447713841.db2.gz KWQTWOGIGREQPZ-ZIAGYGMSSA-N 2 2 347.463 1.124 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000416941122 447716906 /nfs/dbraw/zinc/71/69/06/447716906.db2.gz HJGZDYFFHZMLKY-UHFFFAOYSA-N 2 2 329.448 1.908 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422735890 447733417 /nfs/dbraw/zinc/73/34/17/447733417.db2.gz FMTTYTOQMUAGBS-SJLPKXTDSA-N 3 2 335.492 1.526 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422843041 447766900 /nfs/dbraw/zinc/76/69/00/447766900.db2.gz GUHQENSVZDSCSA-IAGOWNOFSA-N 3 2 345.491 1.227 20 0 EDADLP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422849177 447768751 /nfs/dbraw/zinc/76/87/51/447768751.db2.gz UTUHVEHDMMYAMT-PKOBYXMFSA-N 3 2 331.508 1.714 20 0 EDADLP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000422850678 447769981 /nfs/dbraw/zinc/76/99/81/447769981.db2.gz NZNIJHAZULWRNN-BBWFWOEESA-N 2 2 333.476 1.878 20 0 EDADLP CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422948997 447778702 /nfs/dbraw/zinc/77/87/02/447778702.db2.gz TZOSZNLQZJIVGP-CVEARBPZSA-N 2 2 325.478 1.397 20 0 EDADLP C[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)CC(C)(C)C[NH3+] ZINC000430566346 447780686 /nfs/dbraw/zinc/78/06/86/447780686.db2.gz RVCONUSZUPFVEK-UHFFFAOYSA-N 2 2 336.455 1.391 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)CC(C)(C)C[NH3+] ZINC000430566346 447780690 /nfs/dbraw/zinc/78/06/90/447780690.db2.gz RVCONUSZUPFVEK-UHFFFAOYSA-N 2 2 336.455 1.391 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000422960458 447781467 /nfs/dbraw/zinc/78/14/67/447781467.db2.gz WLSKJONVLSPYHY-SJORKVTESA-N 3 2 325.497 1.378 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430969556 447788060 /nfs/dbraw/zinc/78/80/60/447788060.db2.gz FQSOMJPLLWZYHL-DZKIICNBSA-N 2 2 349.475 1.940 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430969556 447788064 /nfs/dbraw/zinc/78/80/64/447788064.db2.gz FQSOMJPLLWZYHL-DZKIICNBSA-N 2 2 349.475 1.940 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CC[C@@H](n3cccn3)C1)C[NH+]1CCC2CC1 ZINC000496638345 447838558 /nfs/dbraw/zinc/83/85/58/447838558.db2.gz CEVRTLYDEOKSIN-WBVHZDCISA-N 2 2 331.420 1.004 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CC[C@@H](n3cccn3)C1)C[NH+]1CCC2CC1 ZINC000496638345 447838560 /nfs/dbraw/zinc/83/85/60/447838560.db2.gz CEVRTLYDEOKSIN-WBVHZDCISA-N 2 2 331.420 1.004 20 0 EDADLP C[N@H+]1CCc2ncnc(NCc3ccc(Cn4cc[nH+]c4)cc3)c2C1 ZINC000522949610 447865799 /nfs/dbraw/zinc/86/57/99/447865799.db2.gz QEXYNNKUQMQCJX-UHFFFAOYSA-N 2 2 334.427 2.321 20 0 EDADLP O=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000569693137 447868541 /nfs/dbraw/zinc/86/85/41/447868541.db2.gz VJSGJVYFLDVVKD-SFHVURJKSA-N 2 2 343.471 1.632 20 0 EDADLP O=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000569693137 447868545 /nfs/dbraw/zinc/86/85/45/447868545.db2.gz VJSGJVYFLDVVKD-SFHVURJKSA-N 2 2 343.471 1.632 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]([NH3+])c3cscn3)c2)CC1 ZINC000569690307 447868625 /nfs/dbraw/zinc/86/86/25/447868625.db2.gz OJNHXCAQNVXVFP-INIZCTEOSA-N 2 2 345.472 1.529 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000496744179 447874360 /nfs/dbraw/zinc/87/43/60/447874360.db2.gz HJBJVISIVRRVFS-OWCLPIDISA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000496744179 447874363 /nfs/dbraw/zinc/87/43/63/447874363.db2.gz HJBJVISIVRRVFS-OWCLPIDISA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)OC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496747873 447878015 /nfs/dbraw/zinc/87/80/15/447878015.db2.gz HQHLETMJSKDQBC-SFHVURJKSA-N 2 2 337.464 1.750 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000523440742 447887081 /nfs/dbraw/zinc/88/70/81/447887081.db2.gz ZAVMDFFUDYBICZ-QGZVFWFLSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000523440742 447887082 /nfs/dbraw/zinc/88/70/82/447887082.db2.gz ZAVMDFFUDYBICZ-QGZVFWFLSA-N 2 2 345.487 1.736 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000569822104 447899330 /nfs/dbraw/zinc/89/93/30/447899330.db2.gz CAWLKUJIWBIXFH-DOTOQJQBSA-N 2 2 346.475 1.835 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)n1C ZINC000497154408 447900480 /nfs/dbraw/zinc/90/04/80/447900480.db2.gz XPCLLYZPGHNUHU-OAHLLOKOSA-N 2 2 337.468 1.369 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000575983690 447943633 /nfs/dbraw/zinc/94/36/33/447943633.db2.gz QQDGKCPXLJHWHF-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000575983690 447943637 /nfs/dbraw/zinc/94/36/37/447943637.db2.gz QQDGKCPXLJHWHF-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000575983690 447943641 /nfs/dbraw/zinc/94/36/41/447943641.db2.gz QQDGKCPXLJHWHF-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000575983690 447943646 /nfs/dbraw/zinc/94/36/46/447943646.db2.gz QQDGKCPXLJHWHF-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000576050512 447959544 /nfs/dbraw/zinc/95/95/44/447959544.db2.gz IWFCGVHLGCVDIX-UHFFFAOYSA-N 2 2 330.432 1.873 20 0 EDADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000569930670 447920369 /nfs/dbraw/zinc/92/03/69/447920369.db2.gz KCEBLFCGVZQKPN-OAHLLOKOSA-N 2 2 332.448 1.207 20 0 EDADLP CN(CCC[NH+]1CCN(c2[nH+]ccn2C)CC1)C(=O)OC(C)(C)C ZINC000497186871 447936908 /nfs/dbraw/zinc/93/69/08/447936908.db2.gz LYJVODVXUCPMQN-UHFFFAOYSA-N 2 2 337.468 1.799 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000552184024 447938915 /nfs/dbraw/zinc/93/89/15/447938915.db2.gz WUVFALNAVYQJIT-GFCCVEGCSA-N 2 2 325.416 1.430 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000552184024 447938918 /nfs/dbraw/zinc/93/89/18/447938918.db2.gz WUVFALNAVYQJIT-GFCCVEGCSA-N 2 2 325.416 1.430 20 0 EDADLP CCCCNc1cc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000553482971 447994752 /nfs/dbraw/zinc/99/47/52/447994752.db2.gz MKCXVCYTANVVGT-HUUCEWRRSA-N 2 2 348.495 1.748 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000570382763 447999306 /nfs/dbraw/zinc/99/93/06/447999306.db2.gz DVTWBGKHQDCIQU-UHFFFAOYSA-N 2 2 335.452 1.106 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000576238002 448007909 /nfs/dbraw/zinc/00/79/09/448007909.db2.gz PXVVVRQRGLCZQZ-GOSISDBHSA-N 2 2 335.467 1.965 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000576238002 448007910 /nfs/dbraw/zinc/00/79/10/448007910.db2.gz PXVVVRQRGLCZQZ-GOSISDBHSA-N 2 2 335.467 1.965 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCn2ccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000570264005 447971804 /nfs/dbraw/zinc/97/18/04/447971804.db2.gz UFVDSNBYKAHDGO-INIZCTEOSA-N 2 2 329.448 1.316 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCn2ccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000570264005 447971808 /nfs/dbraw/zinc/97/18/08/447971808.db2.gz UFVDSNBYKAHDGO-INIZCTEOSA-N 2 2 329.448 1.316 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC(=O)NCC3CC3)c2cc1C ZINC000576460367 448060929 /nfs/dbraw/zinc/06/09/29/448060929.db2.gz VJJDZXQNBSIKNY-HNNXBMFYSA-N 2 2 330.432 1.130 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnc(-c2cnn(C)c2)nc1 ZINC000525977802 448069745 /nfs/dbraw/zinc/06/97/45/448069745.db2.gz NEZKRYPVRINUPB-SJORKVTESA-N 2 2 326.448 1.936 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cnc(-c2cnn(C)c2)nc1 ZINC000525977802 448069749 /nfs/dbraw/zinc/06/97/49/448069749.db2.gz NEZKRYPVRINUPB-SJORKVTESA-N 2 2 326.448 1.936 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2cnn(C)c2)nc1 ZINC000525977802 448069754 /nfs/dbraw/zinc/06/97/54/448069754.db2.gz NEZKRYPVRINUPB-SJORKVTESA-N 2 2 326.448 1.936 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(-c2cnn(C)c2)nc1 ZINC000525977802 448069755 /nfs/dbraw/zinc/06/97/55/448069755.db2.gz NEZKRYPVRINUPB-SJORKVTESA-N 2 2 326.448 1.936 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000576528052 448077188 /nfs/dbraw/zinc/07/71/88/448077188.db2.gz GFUKBXKJDVDRKL-VYDXJSESSA-N 2 2 336.480 1.842 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000576528052 448077191 /nfs/dbraw/zinc/07/71/91/448077191.db2.gz GFUKBXKJDVDRKL-VYDXJSESSA-N 2 2 336.480 1.842 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000576528052 448077194 /nfs/dbraw/zinc/07/71/94/448077194.db2.gz GFUKBXKJDVDRKL-VYDXJSESSA-N 2 2 336.480 1.842 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000576528052 448077197 /nfs/dbraw/zinc/07/71/97/448077197.db2.gz GFUKBXKJDVDRKL-VYDXJSESSA-N 2 2 336.480 1.842 20 0 EDADLP C[C@H]1COCCN1CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500407464 448088117 /nfs/dbraw/zinc/08/81/17/448088117.db2.gz SICANFFDCCDSTB-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500407464 448088120 /nfs/dbraw/zinc/08/81/20/448088120.db2.gz SICANFFDCCDSTB-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000500407464 448088122 /nfs/dbraw/zinc/08/81/22/448088122.db2.gz SICANFFDCCDSTB-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000500407464 448088124 /nfs/dbraw/zinc/08/81/24/448088124.db2.gz SICANFFDCCDSTB-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496993162 448103736 /nfs/dbraw/zinc/10/37/36/448103736.db2.gz INJDTDHZLQUSSA-KSSFIOAISA-N 2 2 345.447 1.084 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496993162 448103743 /nfs/dbraw/zinc/10/37/43/448103743.db2.gz INJDTDHZLQUSSA-KSSFIOAISA-N 3 2 345.447 1.084 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496993162 448103749 /nfs/dbraw/zinc/10/37/49/448103749.db2.gz INJDTDHZLQUSSA-KSSFIOAISA-N 3 2 345.447 1.084 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000497020072 448128717 /nfs/dbraw/zinc/12/87/17/448128717.db2.gz JYTVHQHKQFUQLX-HOCLYGCPSA-N 2 2 336.436 1.332 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000497020072 448128723 /nfs/dbraw/zinc/12/87/23/448128723.db2.gz JYTVHQHKQFUQLX-HOCLYGCPSA-N 2 2 336.436 1.332 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000571290097 448129597 /nfs/dbraw/zinc/12/95/97/448129597.db2.gz KWIDAWUVLLJKKI-AWEZNQCLSA-N 2 2 337.464 1.005 20 0 EDADLP C[C@]1(NC(=O)NCCn2cc[nH+]c2)CC[N@H+](Cc2ccccc2)C1 ZINC000576758672 448132439 /nfs/dbraw/zinc/13/24/39/448132439.db2.gz BRQFWPYFCAUCIY-SFHVURJKSA-N 2 2 327.432 1.847 20 0 EDADLP C[C@]1(NC(=O)NCCn2cc[nH+]c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000576758672 448132444 /nfs/dbraw/zinc/13/24/44/448132444.db2.gz BRQFWPYFCAUCIY-SFHVURJKSA-N 2 2 327.432 1.847 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[N@H+](C)C1 ZINC000556729574 448149095 /nfs/dbraw/zinc/14/90/95/448149095.db2.gz GHUUINIWVPODHM-KKUMJFAQSA-N 2 2 348.491 1.816 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)[N@@H+](C)C1 ZINC000556729574 448149100 /nfs/dbraw/zinc/14/91/00/448149100.db2.gz GHUUINIWVPODHM-KKUMJFAQSA-N 2 2 348.491 1.816 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[N@H+](C)C1 ZINC000556729574 448149103 /nfs/dbraw/zinc/14/91/03/448149103.db2.gz GHUUINIWVPODHM-KKUMJFAQSA-N 2 2 348.491 1.816 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)[N@@H+](C)C1 ZINC000556729574 448149107 /nfs/dbraw/zinc/14/91/07/448149107.db2.gz GHUUINIWVPODHM-KKUMJFAQSA-N 2 2 348.491 1.816 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000531939180 448174195 /nfs/dbraw/zinc/17/41/95/448174195.db2.gz LGOHEYYTVIYKHL-AWEZNQCLSA-N 2 2 336.461 1.922 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000571624020 448181255 /nfs/dbraw/zinc/18/12/55/448181255.db2.gz YXXBQYPCISYDJM-CQSZACIVSA-N 2 2 341.415 1.121 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000577073891 448206145 /nfs/dbraw/zinc/20/61/45/448206145.db2.gz URZBEPSYYASWCI-BRWVUGGUSA-N 2 2 347.507 1.605 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000577073891 448206149 /nfs/dbraw/zinc/20/61/49/448206149.db2.gz URZBEPSYYASWCI-BRWVUGGUSA-N 2 2 347.507 1.605 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898958 448167004 /nfs/dbraw/zinc/16/70/04/448167004.db2.gz UOCURUMSUWSXOE-YJBOKZPZSA-N 2 2 347.463 1.199 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898958 448167006 /nfs/dbraw/zinc/16/70/06/448167006.db2.gz UOCURUMSUWSXOE-YJBOKZPZSA-N 2 2 347.463 1.199 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898958 448167008 /nfs/dbraw/zinc/16/70/08/448167008.db2.gz UOCURUMSUWSXOE-YJBOKZPZSA-N 2 2 347.463 1.199 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898958 448167012 /nfs/dbraw/zinc/16/70/12/448167012.db2.gz UOCURUMSUWSXOE-YJBOKZPZSA-N 2 2 347.463 1.199 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ncc[nH]1 ZINC000556869023 448169353 /nfs/dbraw/zinc/16/93/53/448169353.db2.gz DEIPYWBRNUCRKJ-AWEZNQCLSA-N 2 2 328.420 1.194 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000492525406 448233093 /nfs/dbraw/zinc/23/30/93/448233093.db2.gz AJADGDCTTIMTSQ-SREVYHEPSA-N 2 2 329.404 1.278 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000582428411 448237769 /nfs/dbraw/zinc/23/77/69/448237769.db2.gz MLMDEKHERSZOGH-MRXNPFEDSA-N 2 2 328.497 1.739 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000582428411 448237772 /nfs/dbraw/zinc/23/77/72/448237772.db2.gz MLMDEKHERSZOGH-MRXNPFEDSA-N 2 2 328.497 1.739 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000571939489 448239826 /nfs/dbraw/zinc/23/98/26/448239826.db2.gz OWVVJBJBWDZHLA-CYBMUJFWSA-N 2 2 331.420 1.240 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000571939489 448239827 /nfs/dbraw/zinc/23/98/27/448239827.db2.gz OWVVJBJBWDZHLA-CYBMUJFWSA-N 2 2 331.420 1.240 20 0 EDADLP Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000577166191 448223273 /nfs/dbraw/zinc/22/32/73/448223273.db2.gz XKAQSEDGEUNAGA-QGZVFWFLSA-N 2 2 341.459 1.448 20 0 EDADLP Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000577166191 448223277 /nfs/dbraw/zinc/22/32/77/448223277.db2.gz XKAQSEDGEUNAGA-QGZVFWFLSA-N 2 2 341.459 1.448 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000571941317 448241785 /nfs/dbraw/zinc/24/17/85/448241785.db2.gz BTWCIGQFOFHWJK-CYBMUJFWSA-N 2 2 330.354 1.202 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(F)(F)c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000571941317 448241791 /nfs/dbraw/zinc/24/17/91/448241791.db2.gz BTWCIGQFOFHWJK-CYBMUJFWSA-N 2 2 330.354 1.202 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000572029520 448267489 /nfs/dbraw/zinc/26/74/89/448267489.db2.gz NMBFMMYWTXIBKM-JKSUJKDBSA-N 2 2 329.400 1.430 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000582494996 448253606 /nfs/dbraw/zinc/25/36/06/448253606.db2.gz RTMYSFMDTVUJKE-RBUKOAKNSA-N 2 2 335.492 1.271 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000582494996 448253609 /nfs/dbraw/zinc/25/36/09/448253609.db2.gz RTMYSFMDTVUJKE-RBUKOAKNSA-N 2 2 335.492 1.271 20 0 EDADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)S(C)(=O)=O ZINC000582601911 448285476 /nfs/dbraw/zinc/28/54/76/448285476.db2.gz WWVHEVPEZIOUBA-KBPBESRZSA-N 2 2 330.519 1.983 20 0 EDADLP CN1C2(CCC2)COC[C@]1(CO)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000527754645 448351854 /nfs/dbraw/zinc/35/18/54/448351854.db2.gz PQROSVRABORQEG-GOSISDBHSA-N 2 2 330.432 1.040 20 0 EDADLP C[C@@H](CC(=O)NCc1ccncc1OCCC[NH+](C)C)n1cc[nH+]c1 ZINC000572370442 448359345 /nfs/dbraw/zinc/35/93/45/448359345.db2.gz QWMCYZDGJPMZEG-HNNXBMFYSA-N 2 2 345.447 1.876 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@H](C)[C@@H](C)[NH+]3CCOCC3)[nH+]c12 ZINC000591345996 448333369 /nfs/dbraw/zinc/33/33/69/448333369.db2.gz VAERSGWOEKNLOC-HUUCEWRRSA-N 2 2 330.432 1.411 20 0 EDADLP COc1ccc([C@@H](CNc2nc[nH+]c(N)c2OC)[NH+](C)C)cc1OC ZINC000565905600 448384696 /nfs/dbraw/zinc/38/46/96/448384696.db2.gz UVYVONTXMHIUOG-GFCCVEGCSA-N 2 2 347.419 1.799 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000566159857 448399548 /nfs/dbraw/zinc/39/95/48/448399548.db2.gz RNYAGEIPIPEZMI-CABCVRRESA-N 2 2 328.476 1.935 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC000566159857 448399551 /nfs/dbraw/zinc/39/95/51/448399551.db2.gz RNYAGEIPIPEZMI-CABCVRRESA-N 2 2 328.476 1.935 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C)CC2 ZINC000572538900 448404405 /nfs/dbraw/zinc/40/44/05/448404405.db2.gz MRSFCDQMKXGAGS-BBRMVZONSA-N 2 2 347.459 1.400 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C)CC2 ZINC000572538900 448404412 /nfs/dbraw/zinc/40/44/12/448404412.db2.gz MRSFCDQMKXGAGS-BBRMVZONSA-N 2 2 347.459 1.400 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000583083780 448420001 /nfs/dbraw/zinc/42/00/01/448420001.db2.gz GPVXPDPOQMZAQZ-AWEZNQCLSA-N 2 2 329.404 1.379 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(c2nc(N)c3ccccc3[nH+]2)C1 ZINC000534271453 448434268 /nfs/dbraw/zinc/43/42/68/448434268.db2.gz JLRDPNAEMIQPCK-CQSZACIVSA-N 2 2 329.448 2.149 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000516580786 448442688 /nfs/dbraw/zinc/44/26/88/448442688.db2.gz RUDUIKGDFIWRHC-AAEUAGOBSA-N 2 2 348.838 1.671 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000516580786 448442692 /nfs/dbraw/zinc/44/26/92/448442692.db2.gz RUDUIKGDFIWRHC-AAEUAGOBSA-N 2 2 348.838 1.671 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC(=O)c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000534315693 448444175 /nfs/dbraw/zinc/44/41/75/448444175.db2.gz YHZUYKYVQYFCGE-KBPBESRZSA-N 2 2 346.456 1.827 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(=O)c2cccs2)C[C@@H]1n1cc[nH+]c1 ZINC000534315693 448444180 /nfs/dbraw/zinc/44/41/80/448444180.db2.gz YHZUYKYVQYFCGE-KBPBESRZSA-N 2 2 346.456 1.827 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC(=O)c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000534315695 448444991 /nfs/dbraw/zinc/44/49/91/448444991.db2.gz YHZUYKYVQYFCGE-UONOGXRCSA-N 2 2 346.456 1.827 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(=O)c2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000534315695 448444997 /nfs/dbraw/zinc/44/49/97/448444997.db2.gz YHZUYKYVQYFCGE-UONOGXRCSA-N 2 2 346.456 1.827 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]1 ZINC000578051250 448450137 /nfs/dbraw/zinc/45/01/37/448450137.db2.gz DPAJIQVMJQOQQE-OAHLLOKOSA-N 2 2 332.448 1.022 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000528179131 448452765 /nfs/dbraw/zinc/45/27/65/448452765.db2.gz SKELNOZDPBFKMY-INIZCTEOSA-N 2 2 343.431 1.834 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000528179131 448452769 /nfs/dbraw/zinc/45/27/69/448452769.db2.gz SKELNOZDPBFKMY-INIZCTEOSA-N 2 2 343.431 1.834 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000572839887 448477336 /nfs/dbraw/zinc/47/73/36/448477336.db2.gz APNDQYMSMHJVBQ-BZUAXINKSA-N 2 2 325.497 1.770 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)n1 ZINC000535045424 448479346 /nfs/dbraw/zinc/47/93/46/448479346.db2.gz PMFJMPVQAZCMJF-ZIAGYGMSSA-N 2 2 328.420 1.139 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)n1 ZINC000535045424 448479349 /nfs/dbraw/zinc/47/93/49/448479349.db2.gz PMFJMPVQAZCMJF-ZIAGYGMSSA-N 2 2 328.420 1.139 20 0 EDADLP CCc1cnc(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000572870194 448487228 /nfs/dbraw/zinc/48/72/28/448487228.db2.gz FUDPPWBWNJSHHI-MJBXVCDLSA-N 2 2 327.494 1.308 20 0 EDADLP CCc1cnc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000572870194 448487234 /nfs/dbraw/zinc/48/72/34/448487234.db2.gz FUDPPWBWNJSHHI-MJBXVCDLSA-N 2 2 327.494 1.308 20 0 EDADLP C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584351533 448495591 /nfs/dbraw/zinc/49/55/91/448495591.db2.gz OBVSHSAXDQLHLZ-CABCVRRESA-N 2 2 342.447 1.411 20 0 EDADLP C[C@H](c1nnnn1-c1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584351533 448495599 /nfs/dbraw/zinc/49/55/99/448495599.db2.gz OBVSHSAXDQLHLZ-CABCVRRESA-N 2 2 342.447 1.411 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CC(=O)Nc2ccccc21 ZINC000591866917 448511447 /nfs/dbraw/zinc/51/14/47/448511447.db2.gz JLMZSRZHXFPYRU-CQSZACIVSA-N 2 2 339.399 1.505 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CC(=O)Nc2ccccc21 ZINC000591866917 448511455 /nfs/dbraw/zinc/51/14/55/448511455.db2.gz JLMZSRZHXFPYRU-CQSZACIVSA-N 2 2 339.399 1.505 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000516970502 448513205 /nfs/dbraw/zinc/51/32/05/448513205.db2.gz QLNSQSLZQLMUKQ-CABCVRRESA-N 2 2 342.867 1.516 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000516970502 448513214 /nfs/dbraw/zinc/51/32/14/448513214.db2.gz QLNSQSLZQLMUKQ-CABCVRRESA-N 2 2 342.867 1.516 20 0 EDADLP CC(C)c1nc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000566732599 448547696 /nfs/dbraw/zinc/54/76/96/448547696.db2.gz CWBDKWZDXNCEQX-LZWOXQAQSA-N 2 2 341.521 1.869 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCOc2ccc(F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000573371026 448610514 /nfs/dbraw/zinc/61/05/14/448610514.db2.gz SOGFTLZFZRNXAK-LBPRGKRZSA-N 2 2 329.803 1.349 20 0 EDADLP C[N@H+]1CCN(C(=O)CCOc2ccc(F)cc2Cl)[C@@H](C[NH3+])C1 ZINC000573371026 448610518 /nfs/dbraw/zinc/61/05/18/448610518.db2.gz SOGFTLZFZRNXAK-LBPRGKRZSA-N 2 2 329.803 1.349 20 0 EDADLP Cc1cccn2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)c[nH+]c12 ZINC000567093796 448610695 /nfs/dbraw/zinc/61/06/95/448610695.db2.gz FMRONPXLXYUOFX-AEFFLSMTSA-N 3 2 341.459 1.379 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000584616910 448585452 /nfs/dbraw/zinc/58/54/52/448585452.db2.gz PQNXTRXKMFVOOI-CZUORRHYSA-N 2 2 330.457 1.876 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000584616910 448585458 /nfs/dbraw/zinc/58/54/58/448585458.db2.gz PQNXTRXKMFVOOI-CZUORRHYSA-N 2 2 330.457 1.876 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]3CCCC3)c2cc1C ZINC000566916353 448585557 /nfs/dbraw/zinc/58/55/57/448585557.db2.gz ZWPVNEDVQITMHX-IRXDYDNUSA-N 3 2 346.475 1.060 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000578597618 448586511 /nfs/dbraw/zinc/58/65/11/448586511.db2.gz GFVCVJMYRKRNMC-DZGCQCFKSA-N 2 2 327.494 1.700 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000578597618 448586514 /nfs/dbraw/zinc/58/65/14/448586514.db2.gz GFVCVJMYRKRNMC-DZGCQCFKSA-N 2 2 327.494 1.700 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000578597618 448586519 /nfs/dbraw/zinc/58/65/19/448586519.db2.gz GFVCVJMYRKRNMC-DZGCQCFKSA-N 2 2 327.494 1.700 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000578597618 448586523 /nfs/dbraw/zinc/58/65/23/448586523.db2.gz GFVCVJMYRKRNMC-DZGCQCFKSA-N 2 2 327.494 1.700 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000517539727 448590592 /nfs/dbraw/zinc/59/05/92/448590592.db2.gz ZCHLPWIYLHPJED-HRCADAONSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000517539727 448590600 /nfs/dbraw/zinc/59/06/00/448590600.db2.gz ZCHLPWIYLHPJED-HRCADAONSA-N 2 2 338.402 1.747 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000573317413 448595872 /nfs/dbraw/zinc/59/58/72/448595872.db2.gz HMPQYHQPXCTRBH-BRWVUGGUSA-N 2 2 327.513 1.026 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@]2(C)Br)CC1 ZINC000528782337 448674784 /nfs/dbraw/zinc/67/47/84/448674784.db2.gz JMGQJRFMAJJVAR-TZMCWYRMSA-N 2 2 332.286 1.302 20 0 EDADLP CC(C)Cn1nccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000578871302 448657851 /nfs/dbraw/zinc/65/78/51/448657851.db2.gz VTEVRCLZUKCJBR-UHFFFAOYSA-N 2 2 335.496 1.637 20 0 EDADLP CC(C)Cn1nccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000578871302 448657856 /nfs/dbraw/zinc/65/78/56/448657856.db2.gz VTEVRCLZUKCJBR-UHFFFAOYSA-N 2 2 335.496 1.637 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000579107096 448716401 /nfs/dbraw/zinc/71/64/01/448716401.db2.gz CJOXYOUDZINRBJ-UHFFFAOYSA-N 2 2 339.443 1.568 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000541542003 448677323 /nfs/dbraw/zinc/67/73/23/448677323.db2.gz HEGRWANSISJNPV-UHFFFAOYSA-N 2 2 341.459 1.140 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000567684161 448736665 /nfs/dbraw/zinc/73/66/65/448736665.db2.gz CUPGHAIPZVCJAD-PBHICJAKSA-N 2 2 342.443 2.564 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000567684161 448736673 /nfs/dbraw/zinc/73/66/73/448736673.db2.gz CUPGHAIPZVCJAD-PBHICJAKSA-N 2 2 342.443 2.564 20 0 EDADLP COC(=O)c1[nH]c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000585726776 448749204 /nfs/dbraw/zinc/74/92/04/448749204.db2.gz NKWIRXWOMPNJGP-QGZVFWFLSA-N 2 2 348.491 1.712 20 0 EDADLP COC(=O)c1[nH]c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000585726776 448749210 /nfs/dbraw/zinc/74/92/10/448749210.db2.gz NKWIRXWOMPNJGP-QGZVFWFLSA-N 2 2 348.491 1.712 20 0 EDADLP Cc1ccc(CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000519212181 448752839 /nfs/dbraw/zinc/75/28/39/448752839.db2.gz ZWGLDXPQELVMJJ-UHFFFAOYSA-N 2 2 336.480 1.798 20 0 EDADLP Cc1ccc(CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000519212181 448752843 /nfs/dbraw/zinc/75/28/43/448752843.db2.gz ZWGLDXPQELVMJJ-UHFFFAOYSA-N 2 2 336.480 1.798 20 0 EDADLP C[NH+]1CCO[C@H](CSC/C=C/CSC[C@H]2C[N@H+](C)CCO2)C1 ZINC000592360103 448805079 /nfs/dbraw/zinc/80/50/79/448805079.db2.gz XZZVHDUGIBDERL-ZOSBBBERSA-N 2 2 346.562 1.670 20 0 EDADLP C[NH+]1CCO[C@H](CSC/C=C/CSC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000592360103 448805082 /nfs/dbraw/zinc/80/50/82/448805082.db2.gz XZZVHDUGIBDERL-ZOSBBBERSA-N 2 2 346.562 1.670 20 0 EDADLP C[NH+]1CCO[C@@H](CSC/C=C/CSC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000592360103 448805085 /nfs/dbraw/zinc/80/50/85/448805085.db2.gz XZZVHDUGIBDERL-ZOSBBBERSA-N 2 2 346.562 1.670 20 0 EDADLP C[NH+]1CCO[C@@H](CSC/C=C/CSC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000592360103 448805088 /nfs/dbraw/zinc/80/50/88/448805088.db2.gz XZZVHDUGIBDERL-ZOSBBBERSA-N 2 2 346.562 1.670 20 0 EDADLP FC(F)Cn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cn1 ZINC000519651997 448811701 /nfs/dbraw/zinc/81/17/01/448811701.db2.gz PSFNBIZXQMZPSE-HNNXBMFYSA-N 2 2 328.407 1.835 20 0 EDADLP FC(F)Cn1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cn1 ZINC000519651997 448811711 /nfs/dbraw/zinc/81/17/11/448811711.db2.gz PSFNBIZXQMZPSE-HNNXBMFYSA-N 2 2 328.407 1.835 20 0 EDADLP CCO[C@H](CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000574180731 448811881 /nfs/dbraw/zinc/81/18/81/448811881.db2.gz XIPBNKNYNCKSAV-HZPDHXFCSA-N 2 2 326.485 1.256 20 0 EDADLP CCO[C@H](CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000574180731 448811884 /nfs/dbraw/zinc/81/18/84/448811884.db2.gz XIPBNKNYNCKSAV-HZPDHXFCSA-N 2 2 326.485 1.256 20 0 EDADLP C[C@@H](CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)n1cc[nH+]c1 ZINC000519551430 448785248 /nfs/dbraw/zinc/78/52/48/448785248.db2.gz STXMZGNGDJRZLK-HNNXBMFYSA-N 2 2 341.419 1.493 20 0 EDADLP CCOc1cc2c(cc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)O[C@@H](C)C2 ZINC000579459205 448796675 /nfs/dbraw/zinc/79/66/75/448796675.db2.gz GDWBOXGSBUHYCD-GUYCJALGSA-N 2 2 334.460 1.953 20 0 EDADLP CCOc1cc2c(cc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)O[C@@H](C)C2 ZINC000579459205 448796681 /nfs/dbraw/zinc/79/66/81/448796681.db2.gz GDWBOXGSBUHYCD-GUYCJALGSA-N 2 2 334.460 1.953 20 0 EDADLP O=C1C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162988 448825096 /nfs/dbraw/zinc/82/50/96/448825096.db2.gz MGISCQZSJOHMOG-BBWFWOEESA-N 2 2 327.428 1.388 20 0 EDADLP O=C1C[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162988 448825099 /nfs/dbraw/zinc/82/50/99/448825099.db2.gz MGISCQZSJOHMOG-BBWFWOEESA-N 2 2 327.428 1.388 20 0 EDADLP O=C1C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162988 448825105 /nfs/dbraw/zinc/82/51/05/448825105.db2.gz MGISCQZSJOHMOG-BBWFWOEESA-N 2 2 327.428 1.388 20 0 EDADLP O=C1C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162988 448825108 /nfs/dbraw/zinc/82/51/08/448825108.db2.gz MGISCQZSJOHMOG-BBWFWOEESA-N 2 2 327.428 1.388 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cc(F)ccc2F)C[C@H](C)O1 ZINC000568254746 448845941 /nfs/dbraw/zinc/84/59/41/448845941.db2.gz LMNBKIYMFXOZMY-DVOMOZLQSA-N 2 2 328.403 1.567 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cc(F)ccc2F)C[C@H](C)O1 ZINC000568254746 448845945 /nfs/dbraw/zinc/84/59/45/448845945.db2.gz LMNBKIYMFXOZMY-DVOMOZLQSA-N 2 2 328.403 1.567 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C(C)(C)C ZINC000579625196 448838970 /nfs/dbraw/zinc/83/89/70/448838970.db2.gz RIRHWZVRNFQSTH-AWEZNQCLSA-N 2 2 345.447 1.755 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000529365698 448842231 /nfs/dbraw/zinc/84/22/31/448842231.db2.gz HIGGZFAPPPEPDM-GJZGRUSLSA-N 2 2 346.479 1.714 20 0 EDADLP COc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000529365665 448842291 /nfs/dbraw/zinc/84/22/91/448842291.db2.gz GZUMIZQAJSUXAJ-QWHCGFSZSA-N 2 2 336.436 1.049 20 0 EDADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529389145 448853659 /nfs/dbraw/zinc/85/36/59/448853659.db2.gz SZOBRTAJOKMTSR-CVEARBPZSA-N 2 2 339.867 1.343 20 0 EDADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000529389145 448853666 /nfs/dbraw/zinc/85/36/66/448853666.db2.gz SZOBRTAJOKMTSR-CVEARBPZSA-N 2 2 339.867 1.343 20 0 EDADLP Cn1c[nH+]cc1CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000547339659 448870420 /nfs/dbraw/zinc/87/04/20/448870420.db2.gz GBQIZSJTURLZHH-GOSISDBHSA-N 2 2 339.399 1.117 20 0 EDADLP Cn1c[nH+]cc1CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000547339659 448870424 /nfs/dbraw/zinc/87/04/24/448870424.db2.gz GBQIZSJTURLZHH-GOSISDBHSA-N 2 2 339.399 1.117 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000574392973 448862292 /nfs/dbraw/zinc/86/22/92/448862292.db2.gz JZSCGYROEWVAOK-QRQLOZEOSA-N 2 2 348.487 1.796 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000574392973 448862298 /nfs/dbraw/zinc/86/22/98/448862298.db2.gz JZSCGYROEWVAOK-QRQLOZEOSA-N 2 2 348.487 1.796 20 0 EDADLP C[C@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[NH+]1CCSCC1 ZINC000568828553 448922981 /nfs/dbraw/zinc/92/29/81/448922981.db2.gz GURVAKHGGDGUQR-RHSMWYFYSA-N 2 2 349.500 1.629 20 0 EDADLP C[C@H](C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[NH+]1CCSCC1 ZINC000568828553 448922987 /nfs/dbraw/zinc/92/29/87/448922987.db2.gz GURVAKHGGDGUQR-RHSMWYFYSA-N 2 2 349.500 1.629 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000521391532 448977568 /nfs/dbraw/zinc/97/75/68/448977568.db2.gz KNAVBKBOEXLRFE-HNNXBMFYSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000521391532 448977572 /nfs/dbraw/zinc/97/75/72/448977572.db2.gz KNAVBKBOEXLRFE-HNNXBMFYSA-N 2 2 340.512 1.517 20 0 EDADLP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000548348469 449028951 /nfs/dbraw/zinc/02/89/51/449028951.db2.gz TWVPTAWAKZEARB-ROUUACIJSA-N 2 2 341.459 1.899 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000582230394 449042228 /nfs/dbraw/zinc/04/22/28/449042228.db2.gz MGZLCHDYRHTWLG-ROUUACIJSA-N 3 2 345.491 1.108 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3)o2)[C@H](C[NH3+])C1 ZINC000582230744 449043662 /nfs/dbraw/zinc/04/36/62/449043662.db2.gz YVADLHZJXCUWFR-OAHLLOKOSA-N 2 2 328.416 1.731 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3)o2)[C@H](C[NH3+])C1 ZINC000582230744 449043669 /nfs/dbraw/zinc/04/36/69/449043669.db2.gz YVADLHZJXCUWFR-OAHLLOKOSA-N 2 2 328.416 1.731 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@@H]([NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000569569966 449045832 /nfs/dbraw/zinc/04/58/32/449045832.db2.gz JMMHOGLBKVZMRZ-HRCADAONSA-N 2 2 331.464 1.358 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000569618578 449058143 /nfs/dbraw/zinc/05/81/43/449058143.db2.gz IZIUIMMBEUAKBB-OAHLLOKOSA-N 2 2 325.478 1.255 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000569618578 449058146 /nfs/dbraw/zinc/05/81/46/449058146.db2.gz IZIUIMMBEUAKBB-OAHLLOKOSA-N 2 2 325.478 1.255 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N[C@@H]1CCOc2ccccc21 ZINC000582301402 449061012 /nfs/dbraw/zinc/06/10/12/449061012.db2.gz FFNMREOMBIFSPL-APWZRJJASA-N 2 2 329.444 1.702 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N[C@@H]1CCOc2ccccc21 ZINC000582301402 449061019 /nfs/dbraw/zinc/06/10/19/449061019.db2.gz FFNMREOMBIFSPL-APWZRJJASA-N 2 2 329.444 1.702 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)[nH+]c12 ZINC000530290602 449105583 /nfs/dbraw/zinc/10/55/83/449105583.db2.gz BFTLSQWAUSSXMJ-HUUCEWRRSA-N 2 2 330.432 1.099 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)[nH+]c12 ZINC000530290602 449105589 /nfs/dbraw/zinc/10/55/89/449105589.db2.gz BFTLSQWAUSSXMJ-HUUCEWRRSA-N 2 2 330.432 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)CC1 ZINC000593070198 449121879 /nfs/dbraw/zinc/12/18/79/449121879.db2.gz GVYRZGYYNSCAIP-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+](CC(=O)OC(C)(C)C)CC2CC2)CC1 ZINC000593070198 449121884 /nfs/dbraw/zinc/12/18/84/449121884.db2.gz GVYRZGYYNSCAIP-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP COC(=O)C[C@@H](C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601803034 449161853 /nfs/dbraw/zinc/16/18/53/449161853.db2.gz FBMKTAJRBKBJKN-ZDUSSCGKSA-N 2 2 334.420 1.361 20 0 EDADLP CCOC(=O)[C@@H](CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601808931 449164017 /nfs/dbraw/zinc/16/40/17/449164017.db2.gz XSPNKYSADPYZRI-AWEZNQCLSA-N 2 2 334.420 1.361 20 0 EDADLP CCN(C[C@H]1CCOC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207960 449192678 /nfs/dbraw/zinc/19/26/78/449192678.db2.gz BHGQHBDTRRBNNU-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CCN(C[C@H]1CCOC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207960 449192683 /nfs/dbraw/zinc/19/26/83/449192683.db2.gz BHGQHBDTRRBNNU-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CC[C@H](C)[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604210126 449194355 /nfs/dbraw/zinc/19/43/55/449194355.db2.gz WLGFECXZFPTPAJ-DAYGRLMNSA-N 2 2 340.512 1.251 20 0 EDADLP CC[C@H](C)[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604210126 449194360 /nfs/dbraw/zinc/19/43/60/449194360.db2.gz WLGFECXZFPTPAJ-DAYGRLMNSA-N 2 2 340.512 1.251 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)n1C ZINC000602013536 449274967 /nfs/dbraw/zinc/27/49/67/449274967.db2.gz PRFCCYQNNXCWFQ-UHFFFAOYSA-N 2 2 337.464 1.791 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614091182 449453961 /nfs/dbraw/zinc/45/39/61/449453961.db2.gz CPBAPIKRIDMONB-CVEARBPZSA-N 2 2 327.444 1.134 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000600641151 449467273 /nfs/dbraw/zinc/46/72/73/449467273.db2.gz KWQSYJIORYXWLV-HKUYNNGSSA-N 2 2 332.492 1.869 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000600641151 449467280 /nfs/dbraw/zinc/46/72/80/449467280.db2.gz KWQSYJIORYXWLV-HKUYNNGSSA-N 2 2 332.492 1.869 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc3ccnn3c2)CC1 ZINC000600642292 449469252 /nfs/dbraw/zinc/46/92/52/449469252.db2.gz CSBHFTUKJHEMHT-KRWDZBQOSA-N 2 2 328.464 1.331 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc3ccnn3c2)CC1 ZINC000600642292 449469253 /nfs/dbraw/zinc/46/92/53/449469253.db2.gz CSBHFTUKJHEMHT-KRWDZBQOSA-N 2 2 328.464 1.331 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750422 449533108 /nfs/dbraw/zinc/53/31/08/449533108.db2.gz WBXZNLQLNRWSTR-ZOCIIQOWSA-N 2 2 344.459 1.332 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750422 449533110 /nfs/dbraw/zinc/53/31/10/449533110.db2.gz WBXZNLQLNRWSTR-ZOCIIQOWSA-N 2 2 344.459 1.332 20 0 EDADLP Cn1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(-c2ccco2)n1 ZINC000611975203 449500344 /nfs/dbraw/zinc/50/03/44/449500344.db2.gz YKEJEARJUORXQK-UHFFFAOYSA-N 2 2 345.447 1.436 20 0 EDADLP COC(=O)[C@H]1CCC[N@H+](Cc2cn(-c3cccc(C[NH3+])c3)nn2)C1 ZINC000600976419 449629242 /nfs/dbraw/zinc/62/92/42/449629242.db2.gz SJSPFXVNQIKDOE-AWEZNQCLSA-N 2 2 329.404 1.111 20 0 EDADLP COC(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3cccc(C[NH3+])c3)nn2)C1 ZINC000600976419 449629248 /nfs/dbraw/zinc/62/92/48/449629248.db2.gz SJSPFXVNQIKDOE-AWEZNQCLSA-N 2 2 329.404 1.111 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614438392 449610152 /nfs/dbraw/zinc/61/01/52/449610152.db2.gz QGQGEXZDOGQSSR-MRXNPFEDSA-N 2 2 346.475 1.475 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000617451954 449619096 /nfs/dbraw/zinc/61/90/96/449619096.db2.gz IAUXXFRSUBPEQJ-QRQLOZEOSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000617451954 449619102 /nfs/dbraw/zinc/61/91/02/449619102.db2.gz IAUXXFRSUBPEQJ-QRQLOZEOSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000617451954 449619106 /nfs/dbraw/zinc/61/91/06/449619106.db2.gz IAUXXFRSUBPEQJ-QRQLOZEOSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000617451954 449619113 /nfs/dbraw/zinc/61/91/13/449619113.db2.gz IAUXXFRSUBPEQJ-QRQLOZEOSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(O)cc(F)cc1F ZINC000617506629 449657131 /nfs/dbraw/zinc/65/71/31/449657131.db2.gz UPQSTAHAAZCZMN-NSHDSACASA-N 2 2 329.391 1.672 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(O)cc(F)cc1F ZINC000617506629 449657136 /nfs/dbraw/zinc/65/71/36/449657136.db2.gz UPQSTAHAAZCZMN-NSHDSACASA-N 2 2 329.391 1.672 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCCCC(=O)C1 ZINC000617508240 449658124 /nfs/dbraw/zinc/65/81/24/449658124.db2.gz ZCOLJXVWUQTYCM-JKSUJKDBSA-N 2 2 325.497 1.914 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCCCC(=O)C1 ZINC000617508240 449658131 /nfs/dbraw/zinc/65/81/31/449658131.db2.gz ZCOLJXVWUQTYCM-JKSUJKDBSA-N 2 2 325.497 1.914 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000607733329 449640695 /nfs/dbraw/zinc/64/06/95/449640695.db2.gz QMSZHXAMVDFFRQ-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CCO)C1 ZINC000607733329 449640702 /nfs/dbraw/zinc/64/07/02/449640702.db2.gz QMSZHXAMVDFFRQ-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000601005465 449649070 /nfs/dbraw/zinc/64/90/70/449649070.db2.gz RCLLRVZMWNKHSC-QFBILLFUSA-N 2 2 345.487 1.660 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000601005465 449649073 /nfs/dbraw/zinc/64/90/73/449649073.db2.gz RCLLRVZMWNKHSC-QFBILLFUSA-N 2 2 345.487 1.660 20 0 EDADLP COCC[NH+]1CCC[C@@H](NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000601005465 449649076 /nfs/dbraw/zinc/64/90/76/449649076.db2.gz RCLLRVZMWNKHSC-QFBILLFUSA-N 2 2 345.487 1.660 20 0 EDADLP COCC[NH+]1CCC[C@@H](NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000601005465 449649077 /nfs/dbraw/zinc/64/90/77/449649077.db2.gz RCLLRVZMWNKHSC-QFBILLFUSA-N 2 2 345.487 1.660 20 0 EDADLP CCOC(=O)CCc1cc(NCC[N@H+](C)C2CCCC2)nc(C)[nH+]1 ZINC000601115100 449697993 /nfs/dbraw/zinc/69/79/93/449697993.db2.gz ZIFMJZCYJXQURR-UHFFFAOYSA-N 2 2 334.464 2.567 20 0 EDADLP CCOC(=O)CCc1cc(NCC[N@@H+](C)C2CCCC2)nc(C)[nH+]1 ZINC000601115100 449697996 /nfs/dbraw/zinc/69/79/96/449697996.db2.gz ZIFMJZCYJXQURR-UHFFFAOYSA-N 2 2 334.464 2.567 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000594959134 449820874 /nfs/dbraw/zinc/82/08/74/449820874.db2.gz UDJMNQGESYRVFD-LCGIIJARSA-N 2 2 332.448 1.831 20 0 EDADLP CCn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C(F)(F)F)n1 ZINC000617764369 449824266 /nfs/dbraw/zinc/82/42/66/449824266.db2.gz TVJKHPIZDLKVAE-UHFFFAOYSA-N 2 2 349.401 1.535 20 0 EDADLP CCn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C(F)(F)F)n1 ZINC000617764369 449824270 /nfs/dbraw/zinc/82/42/70/449824270.db2.gz TVJKHPIZDLKVAE-UHFFFAOYSA-N 2 2 349.401 1.535 20 0 EDADLP Cc1nc2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2n1C ZINC000617764398 449824333 /nfs/dbraw/zinc/82/43/33/449824333.db2.gz VJZKHNHMFJETQA-UHFFFAOYSA-N 2 2 331.464 1.495 20 0 EDADLP Cc1nc2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2n1C ZINC000617764398 449824338 /nfs/dbraw/zinc/82/43/38/449824338.db2.gz VJZKHNHMFJETQA-UHFFFAOYSA-N 2 2 331.464 1.495 20 0 EDADLP CCn1ncc2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)nc21 ZINC000617764204 449824850 /nfs/dbraw/zinc/82/48/50/449824850.db2.gz MMVAKNFRBHQUSP-UHFFFAOYSA-N 2 2 346.479 1.373 20 0 EDADLP CCn1ncc2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)nc21 ZINC000617764204 449824853 /nfs/dbraw/zinc/82/48/53/449824853.db2.gz MMVAKNFRBHQUSP-UHFFFAOYSA-N 2 2 346.479 1.373 20 0 EDADLP C[C@H]1CCN(c2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccn2)C1 ZINC000617765454 449826652 /nfs/dbraw/zinc/82/66/52/449826652.db2.gz BDCBOTPKAROEOB-INIZCTEOSA-N 2 2 347.507 1.541 20 0 EDADLP C[C@H]1CCN(c2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccn2)C1 ZINC000617765454 449826658 /nfs/dbraw/zinc/82/66/58/449826658.db2.gz BDCBOTPKAROEOB-INIZCTEOSA-N 2 2 347.507 1.541 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2ccccn2)no1 ZINC000617766180 449829295 /nfs/dbraw/zinc/82/92/95/449829295.db2.gz AUOKJWKPIOJBJJ-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2ccccn2)no1 ZINC000617766180 449829301 /nfs/dbraw/zinc/82/93/01/449829301.db2.gz AUOKJWKPIOJBJJ-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000617767269 449831231 /nfs/dbraw/zinc/83/12/31/449831231.db2.gz MZWLICYXVPHESQ-IBGZPJMESA-N 3 2 346.519 1.651 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000617767269 449831233 /nfs/dbraw/zinc/83/12/33/449831233.db2.gz MZWLICYXVPHESQ-IBGZPJMESA-N 3 2 346.519 1.651 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000617767269 449831239 /nfs/dbraw/zinc/83/12/39/449831239.db2.gz MZWLICYXVPHESQ-IBGZPJMESA-N 3 2 346.519 1.651 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000617767269 449831241 /nfs/dbraw/zinc/83/12/41/449831241.db2.gz MZWLICYXVPHESQ-IBGZPJMESA-N 3 2 346.519 1.651 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000612865442 449916499 /nfs/dbraw/zinc/91/64/99/449916499.db2.gz QYQNFCWCRYVZQU-IYOUNJFTSA-N 2 2 347.463 1.246 20 0 EDADLP C[NH+](C)C1(C(=O)Nc2cc(F)cc(NC(=O)C3([NH+](C)C)CC3)c2)CC1 ZINC000615119206 449966578 /nfs/dbraw/zinc/96/65/78/449966578.db2.gz ZFESDXLHWDCYDR-UHFFFAOYSA-N 2 2 348.422 1.891 20 0 EDADLP CN(C(=O)c1c[nH]c2ncccc12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601475204 449997604 /nfs/dbraw/zinc/99/76/04/449997604.db2.gz XUYSIAWSDYMXQW-HNNXBMFYSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1c[nH]c2ncccc12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601475204 449997609 /nfs/dbraw/zinc/99/76/09/449997609.db2.gz XUYSIAWSDYMXQW-HNNXBMFYSA-N 2 2 341.459 1.803 20 0 EDADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000595329619 450044808 /nfs/dbraw/zinc/04/48/08/450044808.db2.gz WAPKQGXSKFUBBU-CVEARBPZSA-N 2 2 337.464 1.101 20 0 EDADLP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000595329619 450044811 /nfs/dbraw/zinc/04/48/11/450044811.db2.gz WAPKQGXSKFUBBU-CVEARBPZSA-N 2 2 337.464 1.101 20 0 EDADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000595388865 450102872 /nfs/dbraw/zinc/10/28/72/450102872.db2.gz XVJINQQRQNTUJF-UAGQMJEPSA-N 2 2 349.475 1.099 20 0 EDADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000595388865 450102877 /nfs/dbraw/zinc/10/28/77/450102877.db2.gz XVJINQQRQNTUJF-UAGQMJEPSA-N 2 2 349.475 1.099 20 0 EDADLP COC(=O)CCN1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000595388865 450102882 /nfs/dbraw/zinc/10/28/82/450102882.db2.gz XVJINQQRQNTUJF-UAGQMJEPSA-N 2 2 349.475 1.099 20 0 EDADLP COC(=O)CCN1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000595388865 450102886 /nfs/dbraw/zinc/10/28/86/450102886.db2.gz XVJINQQRQNTUJF-UAGQMJEPSA-N 2 2 349.475 1.099 20 0 EDADLP COC(=O)[C@@]1(NCc2cn(C)c[nH+]2)CCC[N@H+](Cc2ccccc2)C1 ZINC000595406453 450117631 /nfs/dbraw/zinc/11/76/31/450117631.db2.gz JHTASQORPFRTRP-LJQANCHMSA-N 2 2 342.443 1.718 20 0 EDADLP COC(=O)[C@@]1(NCc2cn(C)c[nH+]2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000595406453 450117635 /nfs/dbraw/zinc/11/76/35/450117635.db2.gz JHTASQORPFRTRP-LJQANCHMSA-N 2 2 342.443 1.718 20 0 EDADLP C[C@@H](C(=O)N1CC(C[NH+](C)C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000615510692 450119580 /nfs/dbraw/zinc/11/95/80/450119580.db2.gz SVSYGXNFHSJGML-HNNXBMFYSA-N 2 2 348.466 1.356 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C(=O)OC)ncn3)CC2)CC1 ZINC000603396938 450279926 /nfs/dbraw/zinc/27/99/26/450279926.db2.gz LXRXJICRZYBYBL-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C(=O)OC)ncn3)CC2)CC1 ZINC000603396938 450279929 /nfs/dbraw/zinc/27/99/29/450279929.db2.gz LXRXJICRZYBYBL-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000623305850 450490649 /nfs/dbraw/zinc/49/06/49/450490649.db2.gz AWZRSVJQIOZSKW-FUHWJXTLSA-N 2 2 340.427 1.215 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000623305850 450490652 /nfs/dbraw/zinc/49/06/52/450490652.db2.gz AWZRSVJQIOZSKW-FUHWJXTLSA-N 2 2 340.427 1.215 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623306869 450491725 /nfs/dbraw/zinc/49/17/25/450491725.db2.gz WCYMUHOAJHWSJG-MRXNPFEDSA-N 2 2 339.443 1.934 20 0 EDADLP C[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1(C)C ZINC000623353921 450504551 /nfs/dbraw/zinc/50/45/51/450504551.db2.gz BWFUTQAVHWZXGF-QGZVFWFLSA-N 3 2 346.523 1.451 20 0 EDADLP C[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1(C)C ZINC000623353921 450504556 /nfs/dbraw/zinc/50/45/56/450504556.db2.gz BWFUTQAVHWZXGF-QGZVFWFLSA-N 3 2 346.523 1.451 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623379535 450509816 /nfs/dbraw/zinc/50/98/16/450509816.db2.gz WTNXTJQSFZSPEU-QGZVFWFLSA-N 3 2 331.508 1.796 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623379535 450509819 /nfs/dbraw/zinc/50/98/19/450509819.db2.gz WTNXTJQSFZSPEU-QGZVFWFLSA-N 3 2 331.508 1.796 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623466846 450525970 /nfs/dbraw/zinc/52/59/70/450525970.db2.gz OGIQUSAPCXIFDD-ZACQAIPSSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623466846 450525971 /nfs/dbraw/zinc/52/59/71/450525971.db2.gz OGIQUSAPCXIFDD-ZACQAIPSSA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000620907211 450559025 /nfs/dbraw/zinc/55/90/25/450559025.db2.gz IBHZRXDGGBZJSO-LSDHHAIUSA-N 2 2 346.475 1.616 20 0 EDADLP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000620907211 450559027 /nfs/dbraw/zinc/55/90/27/450559027.db2.gz IBHZRXDGGBZJSO-LSDHHAIUSA-N 2 2 346.475 1.616 20 0 EDADLP CCCCNC(=O)CC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088160 450572721 /nfs/dbraw/zinc/57/27/21/450572721.db2.gz NURARWGJPRDNLH-UHFFFAOYSA-N 2 2 325.497 1.870 20 0 EDADLP CCC(O)(CC)C[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000626110753 450577056 /nfs/dbraw/zinc/57/70/56/450577056.db2.gz QDNUXFZEOWCVHH-INIZCTEOSA-N 2 2 348.491 1.602 20 0 EDADLP CCC(O)(CC)C[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000626110753 450577058 /nfs/dbraw/zinc/57/70/58/450577058.db2.gz QDNUXFZEOWCVHH-INIZCTEOSA-N 2 2 348.491 1.602 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H]4CC[C@@H](O)[C@@H]43)c2cc1C ZINC000626138167 450581247 /nfs/dbraw/zinc/58/12/47/450581247.db2.gz MHFBXMAHVBPBLW-ILRDRHFLSA-N 2 2 329.444 1.859 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H]4CC[C@@H](O)[C@@H]43)c2cc1C ZINC000626138167 450581249 /nfs/dbraw/zinc/58/12/49/450581249.db2.gz MHFBXMAHVBPBLW-ILRDRHFLSA-N 2 2 329.444 1.859 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCN(c3cc(C)cc[nH+]3)CC1)CC2 ZINC000626165293 450595504 /nfs/dbraw/zinc/59/55/04/450595504.db2.gz MRXPDYMEWJZTLN-MRXNPFEDSA-N 2 2 339.443 1.806 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000621154273 450603654 /nfs/dbraw/zinc/60/36/54/450603654.db2.gz JIEMQGQVQNBSDL-SFHVURJKSA-N 2 2 331.460 1.589 20 0 EDADLP COC[C@]1(C)C[NH+](C/C=C/C[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176668 450611377 /nfs/dbraw/zinc/61/13/77/450611377.db2.gz UNGWGDYIOZHTFH-ZBKUBXTQSA-N 2 2 342.480 1.017 20 0 EDADLP COC[C@]1(C)C[NH+](C/C=C/C[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176668 450611381 /nfs/dbraw/zinc/61/13/81/450611381.db2.gz UNGWGDYIOZHTFH-ZBKUBXTQSA-N 2 2 342.480 1.017 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623936972 450643048 /nfs/dbraw/zinc/64/30/48/450643048.db2.gz QKUQSDBDLLKNKV-SJLPKXTDSA-N 2 2 337.427 1.918 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000623948690 450647495 /nfs/dbraw/zinc/64/74/95/450647495.db2.gz XXFIMCKTCRUFCD-INIZCTEOSA-N 2 2 336.480 1.167 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000623948690 450647502 /nfs/dbraw/zinc/64/75/02/450647502.db2.gz XXFIMCKTCRUFCD-INIZCTEOSA-N 2 2 336.480 1.167 20 0 EDADLP Cn1cc(C[NH+]2CCN(c3nc4ccccc4n4c[nH+]cc34)CC2)cn1 ZINC000623950979 450649409 /nfs/dbraw/zinc/64/94/09/450649409.db2.gz WUWLIZKPDVOCFT-UHFFFAOYSA-N 2 2 347.426 1.938 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635135274 450680470 /nfs/dbraw/zinc/68/04/70/450680470.db2.gz CAYZJCFCMXIUIU-GOSISDBHSA-N 2 2 345.487 1.826 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C[C@H]1n1cc[nH+]c1 ZINC000633098706 450683981 /nfs/dbraw/zinc/68/39/81/450683981.db2.gz FGEVMLGQSPNAJU-BZUAXINKSA-N 2 2 347.463 1.023 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000624085158 450700592 /nfs/dbraw/zinc/70/05/92/450700592.db2.gz BGZOQHSCDPKFLZ-OALUTQOASA-N 2 2 344.503 1.580 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCCN[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000624085158 450700594 /nfs/dbraw/zinc/70/05/94/450700594.db2.gz BGZOQHSCDPKFLZ-OALUTQOASA-N 2 2 344.503 1.580 20 0 EDADLP NC(=O)[C@@H]1CCC[NH+]1CCCN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000624085158 450700598 /nfs/dbraw/zinc/70/05/98/450700598.db2.gz BGZOQHSCDPKFLZ-OALUTQOASA-N 2 2 344.503 1.580 20 0 EDADLP NC(=O)[C@@H]1CCC[NH+]1CCCN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000624085158 450700602 /nfs/dbraw/zinc/70/06/02/450700602.db2.gz BGZOQHSCDPKFLZ-OALUTQOASA-N 2 2 344.503 1.580 20 0 EDADLP COC1CC[NH+](CCNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000631671878 450704515 /nfs/dbraw/zinc/70/45/15/450704515.db2.gz IILYWRZIIQRBME-UHFFFAOYSA-N 2 2 328.416 1.917 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629562697 450737375 /nfs/dbraw/zinc/73/73/75/450737375.db2.gz CMEPOWDSIDDXJM-CRWXNKLISA-N 2 2 335.414 1.950 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000629562697 450737381 /nfs/dbraw/zinc/73/73/81/450737381.db2.gz CMEPOWDSIDDXJM-CRWXNKLISA-N 2 2 335.414 1.950 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(OC[C@H]2CCOC2)c1 ZINC000629568239 450740401 /nfs/dbraw/zinc/74/04/01/450740401.db2.gz OWOQUAPRZZZZAX-HKUYNNGSSA-N 2 2 348.487 1.957 20 0 EDADLP Cc1cc(NCC[NH2+]C[C@@H](O)COc2ccccc2)nc(C(C)C)[nH+]1 ZINC000629594314 450754190 /nfs/dbraw/zinc/75/41/90/450754190.db2.gz QOPAYMADUJRIJW-MRXNPFEDSA-N 2 2 344.459 2.350 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000633252795 450757877 /nfs/dbraw/zinc/75/78/77/450757877.db2.gz RKWAPVJXHJTELV-SFHVURJKSA-N 2 2 342.443 1.378 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000633252795 450757881 /nfs/dbraw/zinc/75/78/81/450757881.db2.gz RKWAPVJXHJTELV-SFHVURJKSA-N 2 2 342.443 1.378 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000621642111 450806663 /nfs/dbraw/zinc/80/66/63/450806663.db2.gz FAZRPYJJGTZQMI-MJGOQNOKSA-N 2 2 345.487 1.956 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000621641674 450807001 /nfs/dbraw/zinc/80/70/01/450807001.db2.gz RFQHGTFJWZVEMX-HNNXBMFYSA-N 2 2 332.448 1.314 20 0 EDADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccccc1C[NH+]1CCOCC1)C2 ZINC000621680557 450830977 /nfs/dbraw/zinc/83/09/77/450830977.db2.gz DIUXFMXRYSTCIM-VQIMIIECSA-N 2 2 329.444 1.472 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCc1c(F)cccc1F ZINC000631886095 450847527 /nfs/dbraw/zinc/84/75/27/450847527.db2.gz FRBGRCVDAFARQM-SUMWQHHRSA-N 2 2 337.414 1.697 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCc1c(F)cccc1F ZINC000631886095 450847530 /nfs/dbraw/zinc/84/75/30/450847530.db2.gz FRBGRCVDAFARQM-SUMWQHHRSA-N 2 2 337.414 1.697 20 0 EDADLP CCc1c[nH]c(CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)[nH+]1 ZINC000635351394 450874865 /nfs/dbraw/zinc/87/48/65/450874865.db2.gz OVOHGIRKSTUBQG-UHFFFAOYSA-N 2 2 327.432 1.690 20 0 EDADLP Cc1cccc(COCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000621866517 450906683 /nfs/dbraw/zinc/90/66/83/450906683.db2.gz ZVGXAWLUKFGEBA-GOSISDBHSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(COCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000621866517 450906688 /nfs/dbraw/zinc/90/66/88/450906688.db2.gz ZVGXAWLUKFGEBA-GOSISDBHSA-N 2 2 345.487 1.796 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000635402301 450910153 /nfs/dbraw/zinc/91/01/53/450910153.db2.gz PSMHTMOKFIQZSX-UHFFFAOYSA-N 2 2 329.404 1.111 20 0 EDADLP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000635402430 450910201 /nfs/dbraw/zinc/91/02/01/450910201.db2.gz RSJYISREWHHCPX-UHFFFAOYSA-N 2 2 343.431 1.849 20 0 EDADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1ccc(C(F)(F)F)n1 ZINC000633618710 450946917 /nfs/dbraw/zinc/94/69/17/450946917.db2.gz QPCVAHISNWQZSB-GFCCVEGCSA-N 2 2 349.401 1.463 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1ccc(C(F)(F)F)n1 ZINC000633618710 450946919 /nfs/dbraw/zinc/94/69/19/450946919.db2.gz QPCVAHISNWQZSB-GFCCVEGCSA-N 2 2 349.401 1.463 20 0 EDADLP COCCOCC[N@H+](C)CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000635489546 450985916 /nfs/dbraw/zinc/98/59/16/450985916.db2.gz FXHZPVKGZVTCAV-HNNXBMFYSA-N 2 2 338.452 1.101 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000626924984 451008509 /nfs/dbraw/zinc/00/85/09/451008509.db2.gz FDJPFUZMEIUAKO-IAGOWNOFSA-N 2 2 332.448 1.029 20 0 EDADLP C[NH2+]CCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000626926861 451009391 /nfs/dbraw/zinc/00/93/91/451009391.db2.gz FUKGELCBTDNODJ-OAHLLOKOSA-N 2 2 349.410 1.184 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)C[NH2+]1 ZINC000626927202 451010815 /nfs/dbraw/zinc/01/08/15/451010815.db2.gz KMFBXGDHDUDQGY-KBMXLJTQSA-N 2 2 327.432 1.949 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)NCCOCCC[NH3+])c[nH+]2)CC1 ZINC000626931573 451014763 /nfs/dbraw/zinc/01/47/63/451014763.db2.gz JIEATLSKHDXYHK-UHFFFAOYSA-N 2 2 349.479 1.483 20 0 EDADLP CCN(CC[NH3+])C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000626933992 451016910 /nfs/dbraw/zinc/01/69/10/451016910.db2.gz RKVXASLOFVSNFW-KRWDZBQOSA-N 2 2 334.464 1.359 20 0 EDADLP CN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1C[NH+]2CCC1CC2 ZINC000635550061 451045667 /nfs/dbraw/zinc/04/56/67/451045667.db2.gz SJMFRNJFMNQVRM-CHWSQXEVSA-N 2 2 330.354 1.929 20 0 EDADLP Cc1cn2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2n1 ZINC000635561248 451059641 /nfs/dbraw/zinc/05/96/41/451059641.db2.gz QTYSSHWCAPVWIQ-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP Cc1cn2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2n1 ZINC000635561248 451059647 /nfs/dbraw/zinc/05/96/47/451059647.db2.gz QTYSSHWCAPVWIQ-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000622143632 451064079 /nfs/dbraw/zinc/06/40/79/451064079.db2.gz CKAIXYMTRIMOIB-BFYDXBDKSA-N 2 2 341.496 1.005 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000622143632 451064086 /nfs/dbraw/zinc/06/40/86/451064086.db2.gz CKAIXYMTRIMOIB-BFYDXBDKSA-N 2 2 341.496 1.005 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897166 451080214 /nfs/dbraw/zinc/08/02/14/451080214.db2.gz REYAJXCMMQJJOR-GOSISDBHSA-N 2 2 331.460 1.911 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897166 451080217 /nfs/dbraw/zinc/08/02/17/451080217.db2.gz REYAJXCMMQJJOR-GOSISDBHSA-N 2 2 331.460 1.911 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[C@H]1C(F)(F)F ZINC000627040381 451096452 /nfs/dbraw/zinc/09/64/52/451096452.db2.gz IJJPFWFDIKPXEU-OUAUKWLOSA-N 2 2 345.369 1.436 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[C@H]1C(F)(F)F ZINC000627040381 451096458 /nfs/dbraw/zinc/09/64/58/451096458.db2.gz IJJPFWFDIKPXEU-OUAUKWLOSA-N 2 2 345.369 1.436 20 0 EDADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](CCCF)CC1 ZINC000627958913 451051825 /nfs/dbraw/zinc/05/18/25/451051825.db2.gz OAXYHCCHMNYGNB-SFHVURJKSA-N 2 2 349.450 1.391 20 0 EDADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](CCCF)CC1 ZINC000627958913 451051827 /nfs/dbraw/zinc/05/18/27/451051827.db2.gz OAXYHCCHMNYGNB-SFHVURJKSA-N 2 2 349.450 1.391 20 0 EDADLP CC[N@H+](CCNS(=O)(=O)CC1([NH+](C)C)CC1)CCC(F)(F)F ZINC000632276047 451164035 /nfs/dbraw/zinc/16/40/35/451164035.db2.gz YEIZZSMGDDIBOS-UHFFFAOYSA-N 2 2 345.431 1.274 20 0 EDADLP CC[N@@H+](CCNS(=O)(=O)CC1([NH+](C)C)CC1)CCC(F)(F)F ZINC000632276047 451164041 /nfs/dbraw/zinc/16/40/41/451164041.db2.gz YEIZZSMGDDIBOS-UHFFFAOYSA-N 2 2 345.431 1.274 20 0 EDADLP c1nc(N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(N2CCCC2)[nH+]1 ZINC000630547138 451240811 /nfs/dbraw/zinc/24/08/11/451240811.db2.gz ZPDLPXBENPHBJU-MRXNPFEDSA-N 2 2 331.464 1.672 20 0 EDADLP c1nc(N2CCCC2)cc(N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000630547138 451240816 /nfs/dbraw/zinc/24/08/16/451240816.db2.gz ZPDLPXBENPHBJU-MRXNPFEDSA-N 2 2 331.464 1.672 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638082947 451246067 /nfs/dbraw/zinc/24/60/67/451246067.db2.gz YZIVZZBYKBULLH-ZNMIVQPWSA-N 2 2 335.448 1.761 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638082947 451246070 /nfs/dbraw/zinc/24/60/70/451246070.db2.gz YZIVZZBYKBULLH-ZNMIVQPWSA-N 2 2 335.448 1.761 20 0 EDADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000628495956 451268277 /nfs/dbraw/zinc/26/82/77/451268277.db2.gz DXJXITZFCHNNCV-CQSZACIVSA-N 2 2 349.460 1.029 20 0 EDADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000628495956 451268282 /nfs/dbraw/zinc/26/82/82/451268282.db2.gz DXJXITZFCHNNCV-CQSZACIVSA-N 2 2 349.460 1.029 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638116351 451284110 /nfs/dbraw/zinc/28/41/10/451284110.db2.gz MUIWPFCUMVJYNY-SNVBAGLBSA-N 2 2 347.329 1.650 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124304 451293853 /nfs/dbraw/zinc/29/38/53/451293853.db2.gz RXRYMPVHCZFNQH-NXHRZFHOSA-N 2 2 332.492 1.387 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000638124304 451293857 /nfs/dbraw/zinc/29/38/57/451293857.db2.gz RXRYMPVHCZFNQH-NXHRZFHOSA-N 2 2 332.492 1.387 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000638132868 451304784 /nfs/dbraw/zinc/30/47/84/451304784.db2.gz FSMKHJZWTSEEFM-LSDHHAIUSA-N 2 2 334.489 1.200 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630750563 451382972 /nfs/dbraw/zinc/38/29/72/451382972.db2.gz FIXHZLKGEVYLAH-UHFFFAOYSA-N 2 2 328.416 1.919 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630685328 451339510 /nfs/dbraw/zinc/33/95/10/451339510.db2.gz UEYRGHJKBZAKPA-OTWHNJEPSA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[N@H+]1C ZINC000630685328 451339514 /nfs/dbraw/zinc/33/95/14/451339514.db2.gz UEYRGHJKBZAKPA-OTWHNJEPSA-N 2 2 345.487 1.906 20 0 EDADLP O=C(NCc1nc(C[NH+]2CCCCC2)no1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635896562 451339958 /nfs/dbraw/zinc/33/99/58/451339958.db2.gz YAHWUWMLTJJPNS-OAHLLOKOSA-N 2 2 347.463 1.689 20 0 EDADLP O=C(NCc1nc(C[NH+]2CCCCC2)no1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635896562 451339965 /nfs/dbraw/zinc/33/99/65/451339965.db2.gz YAHWUWMLTJJPNS-OAHLLOKOSA-N 2 2 347.463 1.689 20 0 EDADLP CC1(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]CC1 ZINC000640491677 451344392 /nfs/dbraw/zinc/34/43/92/451344392.db2.gz OPOVYMFNJUAHIP-UHFFFAOYSA-N 2 2 336.505 1.965 20 0 EDADLP C[C@@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)C[NH+]1CCOCC1 ZINC000640562692 451407737 /nfs/dbraw/zinc/40/77/37/451407737.db2.gz OQVLPPJFCDCQAY-AWEZNQCLSA-N 2 2 335.452 1.233 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000638299359 451415282 /nfs/dbraw/zinc/41/52/82/451415282.db2.gz WRNCUEPSVZOLFX-GOEBONIOSA-N 2 2 347.369 1.389 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)[C@H]1c1ccc(F)c(F)c1 ZINC000638299359 451415283 /nfs/dbraw/zinc/41/52/83/451415283.db2.gz WRNCUEPSVZOLFX-GOEBONIOSA-N 2 2 347.369 1.389 20 0 EDADLP CO[C@@]1(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCOC1 ZINC000638337467 451440800 /nfs/dbraw/zinc/44/08/00/451440800.db2.gz SJYPGTXVQYYKIU-LJQANCHMSA-N 2 2 333.476 1.594 20 0 EDADLP C[C@@](O)(C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000634642191 451434057 /nfs/dbraw/zinc/43/40/57/451434057.db2.gz GFDXKIWGICFDPW-RBUKOAKNSA-N 2 2 333.476 1.548 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)Nc2ccnc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000640604758 451450796 /nfs/dbraw/zinc/45/07/96/451450796.db2.gz JWDVKICROHYYMM-GJZGRUSLSA-N 2 2 349.479 1.764 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)CC[N@@H+]1C ZINC000630937205 451494179 /nfs/dbraw/zinc/49/41/79/451494179.db2.gz YIRYRAWRZYZUFV-JKSUJKDBSA-N 2 2 333.480 1.185 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)CC[N@H+]1C ZINC000630937205 451494184 /nfs/dbraw/zinc/49/41/84/451494184.db2.gz YIRYRAWRZYZUFV-JKSUJKDBSA-N 2 2 333.480 1.185 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000630937205 451494188 /nfs/dbraw/zinc/49/41/88/451494188.db2.gz YIRYRAWRZYZUFV-JKSUJKDBSA-N 2 2 333.480 1.185 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000630937205 451494193 /nfs/dbraw/zinc/49/41/93/451494193.db2.gz YIRYRAWRZYZUFV-JKSUJKDBSA-N 2 2 333.480 1.185 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](Cc3nccn3C)CC2)CC[NH+]1C ZINC000630937205 451494197 /nfs/dbraw/zinc/49/41/97/451494197.db2.gz YIRYRAWRZYZUFV-JKSUJKDBSA-N 2 2 333.480 1.185 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](Cc3nccn3C)CC2)CC[NH+]1C ZINC000630937205 451494202 /nfs/dbraw/zinc/49/42/02/451494202.db2.gz YIRYRAWRZYZUFV-JKSUJKDBSA-N 2 2 333.480 1.185 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)ccn1 ZINC000640614288 451461274 /nfs/dbraw/zinc/46/12/74/451461274.db2.gz RHJFBMFSSWQBGR-UHFFFAOYSA-N 2 2 335.452 1.376 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)NCC[N@H+]2CCOCC2(C)C)ccn1 ZINC000640614288 451461278 /nfs/dbraw/zinc/46/12/78/451461278.db2.gz RHJFBMFSSWQBGR-UHFFFAOYSA-N 2 2 335.452 1.376 20 0 EDADLP O[C@@]1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700876 451475088 /nfs/dbraw/zinc/47/50/88/451475088.db2.gz GUAIZHDAEDQBPE-UYAOXDASSA-N 3 2 329.488 1.697 20 0 EDADLP O[C@@]1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700876 451475090 /nfs/dbraw/zinc/47/50/90/451475090.db2.gz GUAIZHDAEDQBPE-UYAOXDASSA-N 3 2 329.488 1.697 20 0 EDADLP O[C@@]1(C[NH2+]C[C@H]2CC[NH+](C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634700876 451475096 /nfs/dbraw/zinc/47/50/96/451475096.db2.gz GUAIZHDAEDQBPE-UYAOXDASSA-N 3 2 329.488 1.697 20 0 EDADLP O[C@@]1(C[NH2+]C[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700876 451475100 /nfs/dbraw/zinc/47/51/00/451475100.db2.gz GUAIZHDAEDQBPE-UYAOXDASSA-N 3 2 329.488 1.697 20 0 EDADLP CC(C)(C)N1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634706468 451484251 /nfs/dbraw/zinc/48/42/51/451484251.db2.gz PPRYFLCZNLVGSQ-PXNSSMCTSA-N 2 2 345.487 1.612 20 0 EDADLP CC(C)(C)N1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634706468 451484257 /nfs/dbraw/zinc/48/42/57/451484257.db2.gz PPRYFLCZNLVGSQ-PXNSSMCTSA-N 2 2 345.487 1.612 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000638427612 451510604 /nfs/dbraw/zinc/51/06/04/451510604.db2.gz VXPGWSQWPXZJHS-HUUCEWRRSA-N 2 2 333.432 1.420 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000638453807 451523494 /nfs/dbraw/zinc/52/34/94/451523494.db2.gz IWKPDNDRTBILGM-GJZGRUSLSA-N 2 2 334.489 1.604 20 0 EDADLP O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631039132 451545752 /nfs/dbraw/zinc/54/57/52/451545752.db2.gz ROYRIXLYKHOFPW-SFHVURJKSA-N 2 2 347.459 1.156 20 0 EDADLP O=c1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c[nH]1 ZINC000631051395 451555010 /nfs/dbraw/zinc/55/50/10/451555010.db2.gz FHUSQWOVBXVBLA-UHFFFAOYSA-N 2 2 343.427 1.788 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[C@H]1C(F)(F)F ZINC000638554314 451574345 /nfs/dbraw/zinc/57/43/45/451574345.db2.gz DKQKJYZGUXNGOB-VXGBXAGGSA-N 2 2 326.322 1.934 20 0 EDADLP Cc1nc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631059945 451561414 /nfs/dbraw/zinc/56/14/14/451561414.db2.gz SHFLFCITNNCHKS-CYBMUJFWSA-N 2 2 326.448 2.028 20 0 EDADLP Cc1nc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631059945 451561421 /nfs/dbraw/zinc/56/14/21/451561421.db2.gz SHFLFCITNNCHKS-CYBMUJFWSA-N 2 2 326.448 2.028 20 0 EDADLP Cc1nc(N)nc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[nH+]1 ZINC000631059945 451561428 /nfs/dbraw/zinc/56/14/28/451561428.db2.gz SHFLFCITNNCHKS-CYBMUJFWSA-N 2 2 326.448 2.028 20 0 EDADLP Cc1nc(N)nc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[nH+]1 ZINC000631059945 451561430 /nfs/dbraw/zinc/56/14/30/451561430.db2.gz SHFLFCITNNCHKS-CYBMUJFWSA-N 2 2 326.448 2.028 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H](C)[C@@H]3CC[NH3+])nc[nH+]2)C1 ZINC000634811649 451567075 /nfs/dbraw/zinc/56/70/75/451567075.db2.gz MCQOODCLYRPDKZ-JONQDZQNSA-N 2 2 333.480 1.637 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H](C)[C@@H]3CC[NH3+])[nH+]cn2)C1 ZINC000634811649 451567081 /nfs/dbraw/zinc/56/70/81/451567081.db2.gz MCQOODCLYRPDKZ-JONQDZQNSA-N 2 2 333.480 1.637 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(c3nc(C)[nH+]c(N)n3)CC2)c1 ZINC000631099539 451582357 /nfs/dbraw/zinc/58/23/57/451582357.db2.gz IURKQESPEPJPMQ-GFCCVEGCSA-N 2 2 328.420 1.654 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631098524 451583554 /nfs/dbraw/zinc/58/35/54/451583554.db2.gz PVJRPCWWGRLZPT-SJORKVTESA-N 2 2 335.496 1.772 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631098524 451583558 /nfs/dbraw/zinc/58/35/58/451583558.db2.gz PVJRPCWWGRLZPT-SJORKVTESA-N 2 2 335.496 1.772 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638613449 451607142 /nfs/dbraw/zinc/60/71/42/451607142.db2.gz WYBNUUBDTMLYBA-CVEARBPZSA-N 2 2 337.851 1.409 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638613449 451607144 /nfs/dbraw/zinc/60/71/44/451607144.db2.gz WYBNUUBDTMLYBA-CVEARBPZSA-N 2 2 337.851 1.409 20 0 EDADLP CCCN1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631179141 451628471 /nfs/dbraw/zinc/62/84/71/451628471.db2.gz ZNPNTHRPQGXVRG-IBGZPJMESA-N 2 2 347.503 1.972 20 0 EDADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631180967 451629800 /nfs/dbraw/zinc/62/98/00/451629800.db2.gz YCEVOYPAIKJSDY-AWEZNQCLSA-N 2 2 343.422 1.381 20 0 EDADLP O=C1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCN1 ZINC000634978386 451634030 /nfs/dbraw/zinc/63/40/30/451634030.db2.gz AWCVZPSQFZTIHT-QZTJIDSGSA-N 2 2 331.460 1.536 20 0 EDADLP O=C1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCN1 ZINC000634978386 451634035 /nfs/dbraw/zinc/63/40/35/451634035.db2.gz AWCVZPSQFZTIHT-QZTJIDSGSA-N 2 2 331.460 1.536 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000638659738 451637561 /nfs/dbraw/zinc/63/75/61/451637561.db2.gz ISMONHKENGXOJV-CABCVRRESA-N 2 2 332.510 1.167 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634996806 451640736 /nfs/dbraw/zinc/64/07/36/451640736.db2.gz VWNDGVFAHFUQHC-UHFFFAOYSA-N 2 2 337.489 1.356 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632922020 451653194 /nfs/dbraw/zinc/65/31/94/451653194.db2.gz FWZKRTCSQMOIPB-OKILXGFUSA-N 2 2 331.420 1.195 20 0 EDADLP CN(C(=O)c1nc(C2CC2)no1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631363093 451711609 /nfs/dbraw/zinc/71/16/09/451711609.db2.gz IKWYFKVIWOKEMM-CQSZACIVSA-N 2 2 333.436 1.188 20 0 EDADLP CN(C(=O)c1nc(C2CC2)no1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631363093 451711610 /nfs/dbraw/zinc/71/16/10/451711610.db2.gz IKWYFKVIWOKEMM-CQSZACIVSA-N 2 2 333.436 1.188 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(c2nc(C)[nH+]c(N)n2)[C@H](C)C1 ZINC000631265219 451670244 /nfs/dbraw/zinc/67/02/44/451670244.db2.gz XBMCMACEKJBWCK-CYBMUJFWSA-N 2 2 342.447 1.872 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(c2nc(C)[nH+]c(N)n2)[C@H](C)C1 ZINC000631265219 451670247 /nfs/dbraw/zinc/67/02/47/451670247.db2.gz XBMCMACEKJBWCK-CYBMUJFWSA-N 2 2 342.447 1.872 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C2 ZINC000638734133 451670335 /nfs/dbraw/zinc/67/03/35/451670335.db2.gz ZLLIHCXEOMVPIJ-BNOWGMLFSA-N 2 2 330.354 1.835 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000638983577 451745719 /nfs/dbraw/zinc/74/57/19/451745719.db2.gz CGIIJNZMHJJPQE-KRWDZBQOSA-N 3 2 325.416 1.438 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641290766 451815459 /nfs/dbraw/zinc/81/54/59/451815459.db2.gz SGJAQZRCFHKMPT-BZUAXINKSA-N 2 2 340.493 1.550 20 0 EDADLP Cn1c2cc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2oc1=O ZINC000639301893 451816364 /nfs/dbraw/zinc/81/63/64/451816364.db2.gz IQYBNBISHMTUNU-INIZCTEOSA-N 2 2 345.443 1.818 20 0 EDADLP Cn1c2cc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2oc1=O ZINC000639301893 451816368 /nfs/dbraw/zinc/81/63/68/451816368.db2.gz IQYBNBISHMTUNU-INIZCTEOSA-N 2 2 345.443 1.818 20 0 EDADLP CC[NH+]1CCN(c2ccc(CNc3cc(CO)cc[nH+]3)cn2)CC1 ZINC000641298996 451823101 /nfs/dbraw/zinc/82/31/01/451823101.db2.gz OXBVFUKKUNUTCJ-UHFFFAOYSA-N 2 2 327.432 1.723 20 0 EDADLP CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641326853 451850095 /nfs/dbraw/zinc/85/00/95/451850095.db2.gz HPNODNRZSOKYOQ-MRXNPFEDSA-N 2 2 349.500 1.532 20 0 EDADLP CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641326853 451850097 /nfs/dbraw/zinc/85/00/97/451850097.db2.gz HPNODNRZSOKYOQ-MRXNPFEDSA-N 2 2 349.500 1.532 20 0 EDADLP CN([C@@H]1CC[NH+](C2CC2)C1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641326853 451850099 /nfs/dbraw/zinc/85/00/99/451850099.db2.gz HPNODNRZSOKYOQ-MRXNPFEDSA-N 2 2 349.500 1.532 20 0 EDADLP CN([C@@H]1CC[NH+](C2CC2)C1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641326853 451850100 /nfs/dbraw/zinc/85/01/00/451850100.db2.gz HPNODNRZSOKYOQ-MRXNPFEDSA-N 2 2 349.500 1.532 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000646816594 451863681 /nfs/dbraw/zinc/86/36/81/451863681.db2.gz AGNOCYDJVQMPCI-INIZCTEOSA-N 2 2 339.443 1.621 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000646833710 451872439 /nfs/dbraw/zinc/87/24/39/451872439.db2.gz BZMLMYAPWPYHPH-RYUDHWBXSA-N 2 2 329.366 1.910 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000646833710 451872446 /nfs/dbraw/zinc/87/24/46/451872446.db2.gz BZMLMYAPWPYHPH-RYUDHWBXSA-N 2 2 329.366 1.910 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637469984 451886332 /nfs/dbraw/zinc/88/63/32/451886332.db2.gz HHYPIRWRFHSBMG-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637469984 451886336 /nfs/dbraw/zinc/88/63/36/451886336.db2.gz HHYPIRWRFHSBMG-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1CCCN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)CC1 ZINC000641319284 451842032 /nfs/dbraw/zinc/84/20/32/451842032.db2.gz RIEXLMGPVPNUMH-UHFFFAOYSA-N 2 2 337.489 1.391 20 0 EDADLP CC[N@H+]1CCCN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)CC1 ZINC000641319284 451842035 /nfs/dbraw/zinc/84/20/35/451842035.db2.gz RIEXLMGPVPNUMH-UHFFFAOYSA-N 2 2 337.489 1.391 20 0 EDADLP CC[NH+]1CCCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000641319284 451842038 /nfs/dbraw/zinc/84/20/38/451842038.db2.gz RIEXLMGPVPNUMH-UHFFFAOYSA-N 2 2 337.489 1.391 20 0 EDADLP CC[NH+]1CCCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000641319284 451842040 /nfs/dbraw/zinc/84/20/40/451842040.db2.gz RIEXLMGPVPNUMH-UHFFFAOYSA-N 2 2 337.489 1.391 20 0 EDADLP C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@H](c1ccccc1)[NH+](C)C ZINC000641432350 451970760 /nfs/dbraw/zinc/97/07/60/451970760.db2.gz ZCJPVZREMTZRJI-GDBMZVCRSA-N 2 2 336.461 1.494 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc(C4CC4)o3)CC2)CC1 ZINC000639622487 451980262 /nfs/dbraw/zinc/98/02/62/451980262.db2.gz HELNPECHSIEBIF-UHFFFAOYSA-N 2 2 332.448 1.840 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[NH+]2Cc3ccccc3C2)C1(C)C ZINC000649306475 451984148 /nfs/dbraw/zinc/98/41/48/451984148.db2.gz UGCAZTVFTZUWMZ-VQIMIIECSA-N 2 2 331.460 1.651 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@@]2(N)CC[N@H+](C)C2)c1)[NH+]1CCOCC1 ZINC000649323289 452003343 /nfs/dbraw/zinc/00/33/43/452003343.db2.gz SVWWHRQIDXLOHS-RDTXWAMCSA-N 2 2 332.448 1.051 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@@]2(N)CC[N@@H+](C)C2)c1)[NH+]1CCOCC1 ZINC000649323289 452003346 /nfs/dbraw/zinc/00/33/46/452003346.db2.gz SVWWHRQIDXLOHS-RDTXWAMCSA-N 2 2 332.448 1.051 20 0 EDADLP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000653568324 452019605 /nfs/dbraw/zinc/01/96/05/452019605.db2.gz QSCIEGYZAYSTPZ-ZWKOTPCHSA-N 2 2 335.492 1.656 20 0 EDADLP CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000653568324 452019611 /nfs/dbraw/zinc/01/96/11/452019611.db2.gz QSCIEGYZAYSTPZ-ZWKOTPCHSA-N 2 2 335.492 1.656 20 0 EDADLP CC[C@H]1CN(C)c2ccccc2C[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000653568324 452019612 /nfs/dbraw/zinc/01/96/12/452019612.db2.gz QSCIEGYZAYSTPZ-ZWKOTPCHSA-N 2 2 335.492 1.656 20 0 EDADLP CC[C@H]1CN(C)c2ccccc2C[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000653568324 452019619 /nfs/dbraw/zinc/01/96/19/452019619.db2.gz QSCIEGYZAYSTPZ-ZWKOTPCHSA-N 2 2 335.492 1.656 20 0 EDADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1C[NH+]1CCOCC1 ZINC000647075994 452044493 /nfs/dbraw/zinc/04/44/93/452044493.db2.gz SMJZJMYNIIABBC-OAHLLOKOSA-N 2 2 339.386 1.246 20 0 EDADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641512456 452044432 /nfs/dbraw/zinc/04/44/32/452044432.db2.gz ZEBPNIIKILWOHF-CJNGLKHVSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641512456 452044437 /nfs/dbraw/zinc/04/44/37/452044437.db2.gz ZEBPNIIKILWOHF-CJNGLKHVSA-N 2 2 337.489 1.388 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000649372558 452047775 /nfs/dbraw/zinc/04/77/75/452047775.db2.gz CFQUGLDGXRZYHI-GOSISDBHSA-N 2 2 343.471 1.923 20 0 EDADLP Cc1nc2sccn2c(=O)c1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644228 452056424 /nfs/dbraw/zinc/05/64/24/452056424.db2.gz XFGWYAQBCFXGHK-UHFFFAOYSA-N 2 2 344.444 1.152 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)cn21 ZINC000647098396 452059542 /nfs/dbraw/zinc/05/95/42/452059542.db2.gz NUTBXQNPDJQMFQ-GOOCMWNKSA-N 2 2 340.427 1.116 20 0 EDADLP CCn1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000639732032 452077250 /nfs/dbraw/zinc/07/72/50/452077250.db2.gz BHCMNBQKNPTTMW-OAHLLOKOSA-N 2 2 345.491 1.679 20 0 EDADLP CCn1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000639732032 452077253 /nfs/dbraw/zinc/07/72/53/452077253.db2.gz BHCMNBQKNPTTMW-OAHLLOKOSA-N 2 2 345.491 1.679 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)nn3)C2)C1 ZINC000653695575 452081069 /nfs/dbraw/zinc/08/10/69/452081069.db2.gz WJUNFGBICHJLDZ-CQSZACIVSA-N 2 2 330.354 1.945 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)nn3)C2)C1 ZINC000653695575 452081078 /nfs/dbraw/zinc/08/10/78/452081078.db2.gz WJUNFGBICHJLDZ-CQSZACIVSA-N 2 2 330.354 1.945 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)nn3)C2)C1 ZINC000653695575 452081082 /nfs/dbraw/zinc/08/10/82/452081082.db2.gz WJUNFGBICHJLDZ-CQSZACIVSA-N 2 2 330.354 1.945 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)nn3)C2)C1 ZINC000653695575 452081086 /nfs/dbraw/zinc/08/10/86/452081086.db2.gz WJUNFGBICHJLDZ-CQSZACIVSA-N 2 2 330.354 1.945 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647156870 452096518 /nfs/dbraw/zinc/09/65/18/452096518.db2.gz SOIJGWFJCYNKLQ-HOTGVXAUSA-N 2 2 338.415 1.981 20 0 EDADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCS[C@@H](c3ccccc3)C2)C1=O ZINC000649483745 452104940 /nfs/dbraw/zinc/10/49/40/452104940.db2.gz WHQAQEBQIOETME-JKSUJKDBSA-N 2 2 347.484 1.466 20 0 EDADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCS[C@@H](c3ccccc3)C2)C1=O ZINC000649483745 452104946 /nfs/dbraw/zinc/10/49/46/452104946.db2.gz WHQAQEBQIOETME-JKSUJKDBSA-N 2 2 347.484 1.466 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000639766429 452108296 /nfs/dbraw/zinc/10/82/96/452108296.db2.gz OFIDJNWGGCRKHQ-IBGZPJMESA-N 2 2 328.460 1.820 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000639766429 452108302 /nfs/dbraw/zinc/10/83/02/452108302.db2.gz OFIDJNWGGCRKHQ-IBGZPJMESA-N 2 2 328.460 1.820 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000645100553 452152291 /nfs/dbraw/zinc/15/22/91/452152291.db2.gz UJMBDALCLBTFMX-MSOLQXFVSA-N 2 2 349.450 1.143 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000645100553 452152296 /nfs/dbraw/zinc/15/22/96/452152296.db2.gz UJMBDALCLBTFMX-MSOLQXFVSA-N 2 2 349.450 1.143 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000637906962 452157285 /nfs/dbraw/zinc/15/72/85/452157285.db2.gz ZFIHPLSZYDIQMN-UHFFFAOYSA-N 2 2 327.450 1.235 20 0 EDADLP c1cc2[nH+]ccc(N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)c2cn1 ZINC000641719881 452219870 /nfs/dbraw/zinc/21/98/70/452219870.db2.gz ZGYSEEHXINVNQZ-INIZCTEOSA-N 2 2 341.459 1.260 20 0 EDADLP c1cc2[nH+]ccc(N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)c2cn1 ZINC000641719881 452219876 /nfs/dbraw/zinc/21/98/76/452219876.db2.gz ZGYSEEHXINVNQZ-INIZCTEOSA-N 2 2 341.459 1.260 20 0 EDADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCOC1 ZINC000649758831 452234575 /nfs/dbraw/zinc/23/45/75/452234575.db2.gz YDNTYDHHHDCCFL-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCOC1 ZINC000649758831 452234579 /nfs/dbraw/zinc/23/45/79/452234579.db2.gz YDNTYDHHHDCCFL-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC[NH+]3CCSCC3)cn21 ZINC000645259533 452239616 /nfs/dbraw/zinc/23/96/16/452239616.db2.gz BLLMHPCWPAGUSY-UHFFFAOYSA-N 2 2 347.488 1.533 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000641771410 452244521 /nfs/dbraw/zinc/24/45/21/452244521.db2.gz HNYIXNGYKQFGCA-MRXNPFEDSA-N 2 2 343.493 1.241 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647516399 452251607 /nfs/dbraw/zinc/25/16/07/452251607.db2.gz OOKDEDKADQFHCK-MNOVXSKESA-N 2 2 337.247 1.245 20 0 EDADLP c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCN(CC[NH+]3CCOCC3)C1)C2 ZINC000641785604 452256210 /nfs/dbraw/zinc/25/62/10/452256210.db2.gz CLSPHODSBDVVRA-RTWAWAEBSA-N 2 2 343.515 1.930 20 0 EDADLP CC(C)n1nccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786862 452261368 /nfs/dbraw/zinc/26/13/68/452261368.db2.gz IFNYIMQPOQDHTK-KRWDZBQOSA-N 2 2 335.496 1.350 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000647529367 452262316 /nfs/dbraw/zinc/26/23/16/452262316.db2.gz RSBSTTWZWCJNBA-CVEARBPZSA-N 2 2 326.412 1.002 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000647529367 452262327 /nfs/dbraw/zinc/26/23/27/452262327.db2.gz RSBSTTWZWCJNBA-CVEARBPZSA-N 2 2 326.412 1.002 20 0 EDADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641787402 452264539 /nfs/dbraw/zinc/26/45/39/452264539.db2.gz VFCAFCVPHNSZCG-GOEBONIOSA-N 2 2 338.521 1.899 20 0 EDADLP C[N@@H+]1CCN(Cc2cc3c(c(Br)c2)OCO3)[C@H](C[NH3+])C1 ZINC000647539191 452270343 /nfs/dbraw/zinc/27/03/43/452270343.db2.gz COBTZQLBQGWTHP-LLVKDONJSA-N 2 2 342.237 1.253 20 0 EDADLP C[N@H+]1CCN(Cc2cc3c(c(Br)c2)OCO3)[C@H](C[NH3+])C1 ZINC000647539191 452270357 /nfs/dbraw/zinc/27/03/57/452270357.db2.gz COBTZQLBQGWTHP-LLVKDONJSA-N 2 2 342.237 1.253 20 0 EDADLP C[N@@H+]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000647539360 452272212 /nfs/dbraw/zinc/27/22/12/452272212.db2.gz WKLQSIAMPNHEPD-SFHVURJKSA-N 3 2 332.492 1.236 20 0 EDADLP C[N@H+]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000647539360 452272222 /nfs/dbraw/zinc/27/22/22/452272222.db2.gz WKLQSIAMPNHEPD-SFHVURJKSA-N 3 2 332.492 1.236 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(CO)cc3)C2)CC1 ZINC000645294682 452273474 /nfs/dbraw/zinc/27/34/74/452273474.db2.gz HPKWCDIJWYTXMU-QGZVFWFLSA-N 2 2 346.475 1.147 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(CO)cc3)C2)CC1 ZINC000645294682 452273483 /nfs/dbraw/zinc/27/34/83/452273483.db2.gz HPKWCDIJWYTXMU-QGZVFWFLSA-N 2 2 346.475 1.147 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(C)(C)N3CCOCC3)CC2)c1 ZINC000638026001 452274908 /nfs/dbraw/zinc/27/49/08/452274908.db2.gz OBOQHSDPMQHSPZ-UHFFFAOYSA-N 2 2 334.464 1.323 20 0 EDADLP COc1cc[nH+]c(N2CCN(CC(C)(C)[NH+]3CCOCC3)CC2)c1 ZINC000638026001 452274913 /nfs/dbraw/zinc/27/49/13/452274913.db2.gz OBOQHSDPMQHSPZ-UHFFFAOYSA-N 2 2 334.464 1.323 20 0 EDADLP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000641803832 452280644 /nfs/dbraw/zinc/28/06/44/452280644.db2.gz VDPUCMXKEKBMHE-DLBZAZTESA-N 3 2 346.475 1.173 20 0 EDADLP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(CN3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000641803832 452280651 /nfs/dbraw/zinc/28/06/51/452280651.db2.gz VDPUCMXKEKBMHE-DLBZAZTESA-N 2 2 346.475 1.173 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CCC2 ZINC000643538206 452299259 /nfs/dbraw/zinc/29/92/59/452299259.db2.gz BBUOAULIJFRGEU-SLEUVZQESA-N 2 2 327.425 1.001 20 0 EDADLP C[C@H](c1cccc(NC(=O)N[C@@]2(C)CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000663584273 452310084 /nfs/dbraw/zinc/31/00/84/452310084.db2.gz GLIJKOLFVUMBIP-KDOFPFPSSA-N 2 2 332.448 1.953 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2[nH+]1 ZINC000657526361 452313618 /nfs/dbraw/zinc/31/36/18/452313618.db2.gz CBWQGIKEGNCQST-DZGCQCFKSA-N 2 2 341.415 1.324 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2[nH+]1 ZINC000657526361 452313626 /nfs/dbraw/zinc/31/36/26/452313626.db2.gz CBWQGIKEGNCQST-DZGCQCFKSA-N 2 2 341.415 1.324 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)c1 ZINC000638050179 452320389 /nfs/dbraw/zinc/32/03/89/452320389.db2.gz SMPPOPQMDVBOGR-MRXNPFEDSA-N 2 2 345.443 1.396 20 0 EDADLP CO[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@](C)(CO)C1 ZINC000640002293 452335388 /nfs/dbraw/zinc/33/53/88/452335388.db2.gz XLKKLKFNZNFPKM-SLFFLAALSA-N 2 2 348.487 1.749 20 0 EDADLP CO[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)[C@@](C)(CO)C1 ZINC000640002293 452335397 /nfs/dbraw/zinc/33/53/97/452335397.db2.gz XLKKLKFNZNFPKM-SLFFLAALSA-N 2 2 348.487 1.749 20 0 EDADLP CO[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@](C)(CO)C1 ZINC000640002293 452335408 /nfs/dbraw/zinc/33/54/08/452335408.db2.gz XLKKLKFNZNFPKM-SLFFLAALSA-N 2 2 348.487 1.749 20 0 EDADLP CO[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@](C)(CO)C1 ZINC000640002293 452335419 /nfs/dbraw/zinc/33/54/19/452335419.db2.gz XLKKLKFNZNFPKM-SLFFLAALSA-N 2 2 348.487 1.749 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659483719 452343217 /nfs/dbraw/zinc/34/32/17/452343217.db2.gz GCOZYYHIKVYGTP-HZPDHXFCSA-N 2 2 331.464 1.619 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CCC3C[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000638062486 452358447 /nfs/dbraw/zinc/35/84/47/452358447.db2.gz SVAUZXFKNGVQHL-KBPBESRZSA-N 2 2 332.448 1.311 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659498847 452362896 /nfs/dbraw/zinc/36/28/96/452362896.db2.gz AGMJPMWIDHBMST-HZPDHXFCSA-N 2 2 345.422 1.987 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000657597028 452366321 /nfs/dbraw/zinc/36/63/21/452366321.db2.gz JHYLZIHLOKWUHX-QRQLOZEOSA-N 2 2 334.460 1.407 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000657597028 452366326 /nfs/dbraw/zinc/36/63/26/452366326.db2.gz JHYLZIHLOKWUHX-QRQLOZEOSA-N 2 2 334.460 1.407 20 0 EDADLP Cc1cccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000655552125 452369931 /nfs/dbraw/zinc/36/99/31/452369931.db2.gz OCTPHMQXNVDBNB-KRWDZBQOSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1cccc(CN(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000655552125 452369936 /nfs/dbraw/zinc/36/99/36/452369936.db2.gz OCTPHMQXNVDBNB-KRWDZBQOSA-N 2 2 345.491 1.700 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000649900270 452375730 /nfs/dbraw/zinc/37/57/30/452375730.db2.gz WYUYLZQMXOMLCE-GOEBONIOSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000649900270 452375739 /nfs/dbraw/zinc/37/57/39/452375739.db2.gz WYUYLZQMXOMLCE-GOEBONIOSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000649900270 452375749 /nfs/dbraw/zinc/37/57/49/452375749.db2.gz WYUYLZQMXOMLCE-GOEBONIOSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000649900270 452375755 /nfs/dbraw/zinc/37/57/55/452375755.db2.gz WYUYLZQMXOMLCE-GOEBONIOSA-N 2 2 345.434 1.191 20 0 EDADLP C[C@H](CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1)[NH+](C)C ZINC000665797787 452378615 /nfs/dbraw/zinc/37/86/15/452378615.db2.gz MYEUNZYLIQHSCL-OAHLLOKOSA-N 2 2 334.464 1.981 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659520575 452384489 /nfs/dbraw/zinc/38/44/89/452384489.db2.gz CKNDORRWAOQLBI-GOEBONIOSA-N 2 2 331.464 1.999 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCNc2cccc[nH+]2)[C@@H](C)CO1 ZINC000663682240 452419483 /nfs/dbraw/zinc/41/94/83/452419483.db2.gz SWMXZQAEDIEYOI-LSDHHAIUSA-N 2 2 335.452 1.292 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCNc2cccc[nH+]2)[C@@H](C)CO1 ZINC000663682240 452419488 /nfs/dbraw/zinc/41/94/88/452419488.db2.gz SWMXZQAEDIEYOI-LSDHHAIUSA-N 2 2 335.452 1.292 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000654369512 452420444 /nfs/dbraw/zinc/42/04/44/452420444.db2.gz PHFSTBHIYGPKLC-IYBDPMFKSA-N 2 2 347.463 1.058 20 0 EDADLP CC(=O)N(C)c1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000665888936 452444182 /nfs/dbraw/zinc/44/41/82/452444182.db2.gz UOCAVSDUSKRTEG-UHFFFAOYSA-N 2 2 349.479 1.674 20 0 EDADLP CC(=O)N(C)c1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000665888936 452444188 /nfs/dbraw/zinc/44/41/88/452444188.db2.gz UOCAVSDUSKRTEG-UHFFFAOYSA-N 2 2 349.479 1.674 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2nsc3ccccc32)[C@H](C[NH3+])C1 ZINC000659611396 452468227 /nfs/dbraw/zinc/46/82/27/452468227.db2.gz LEBYTSNLLVFNRT-GFCCVEGCSA-N 2 2 333.461 1.123 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)CC1 ZINC000640152045 452468737 /nfs/dbraw/zinc/46/87/37/452468737.db2.gz BHXQAIWHYUJYOR-CZUORRHYSA-N 2 2 325.403 1.979 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659619546 452477461 /nfs/dbraw/zinc/47/74/61/452477461.db2.gz YDMQWWVNOFUKEP-KSTDHSDQSA-N 2 2 329.448 1.222 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659627194 452484827 /nfs/dbraw/zinc/48/48/27/452484827.db2.gz RODBTBJMVXWPBT-QGZVFWFLSA-N 2 2 347.507 1.181 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659627194 452484830 /nfs/dbraw/zinc/48/48/30/452484830.db2.gz RODBTBJMVXWPBT-QGZVFWFLSA-N 2 2 347.507 1.181 20 0 EDADLP Cc1nn2c(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c(C)nc2s1 ZINC000657750373 452499058 /nfs/dbraw/zinc/49/90/58/452499058.db2.gz INLFOPWVXXXDAW-AWEZNQCLSA-N 2 2 335.477 1.751 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752847 452501605 /nfs/dbraw/zinc/50/16/05/452501605.db2.gz SOLGEHHKALEVED-LJQANCHMSA-N 3 2 341.459 1.919 20 0 EDADLP C[C@@]12COC[C@@H]1C[N@H+](CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000661700132 452504273 /nfs/dbraw/zinc/50/42/73/452504273.db2.gz WWMXMABNCKAJMP-MAUKXSAKSA-N 2 2 349.500 1.361 20 0 EDADLP C[C@@]12COC[C@@H]1C[N@@H+](CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000661700132 452504282 /nfs/dbraw/zinc/50/42/82/452504282.db2.gz WWMXMABNCKAJMP-MAUKXSAKSA-N 2 2 349.500 1.361 20 0 EDADLP CC(C)[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000655687750 452509900 /nfs/dbraw/zinc/50/99/00/452509900.db2.gz YSCQFEPGGMMKTD-RBUKOAKNSA-N 3 2 338.540 1.101 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C)Cc2ccccc2)[C@H](C)CO1 ZINC000663785456 452516346 /nfs/dbraw/zinc/51/63/46/452516346.db2.gz HXSUTSZALQPYIU-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)Cc2ccccc2)[C@H](C)CO1 ZINC000663785456 452516352 /nfs/dbraw/zinc/51/63/52/452516352.db2.gz HXSUTSZALQPYIU-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@H+](C)Cc2ccccc2)[C@H](C)CO1 ZINC000663785456 452516360 /nfs/dbraw/zinc/51/63/60/452516360.db2.gz HXSUTSZALQPYIU-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)Cc2ccccc2)[C@H](C)CO1 ZINC000663785456 452516363 /nfs/dbraw/zinc/51/63/63/452516363.db2.gz HXSUTSZALQPYIU-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP COCC[NH2+]C1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000652344980 452517626 /nfs/dbraw/zinc/51/76/26/452517626.db2.gz FPQKXWJIVVYAOY-UHFFFAOYSA-N 2 2 345.487 1.878 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc[nH+]1 ZINC000647789027 452522097 /nfs/dbraw/zinc/52/20/97/452522097.db2.gz XABYZVZLBDLCLT-GBESFXJTSA-N 4 2 343.519 1.571 20 0 EDADLP FC(F)(F)Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000655722867 452536250 /nfs/dbraw/zinc/53/62/50/452536250.db2.gz FLEKCWOKSSMEBQ-AWEZNQCLSA-N 2 2 332.370 1.788 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCN1c1ccccc1 ZINC000655724295 452536701 /nfs/dbraw/zinc/53/67/01/452536701.db2.gz TWNSBXVILZYGKY-QZTJIDSGSA-N 2 2 329.444 1.635 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000654499907 452576248 /nfs/dbraw/zinc/57/62/48/452576248.db2.gz XSBMLQVWRUOZTH-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000654499907 452576254 /nfs/dbraw/zinc/57/62/54/452576254.db2.gz XSBMLQVWRUOZTH-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP Cc1cccc(NC[C@H]2CCN(c3nc[nH+]c4c3OCCN4)C2)[nH+]1 ZINC000647864955 452602377 /nfs/dbraw/zinc/60/23/77/452602377.db2.gz RJVMFEUNPVDKPK-CYBMUJFWSA-N 2 2 326.404 1.923 20 0 EDADLP Cc1cccc(NC[C@H]2CCN(c3[nH+]cnc4c3OCCN4)C2)[nH+]1 ZINC000647864955 452602387 /nfs/dbraw/zinc/60/23/87/452602387.db2.gz RJVMFEUNPVDKPK-CYBMUJFWSA-N 2 2 326.404 1.923 20 0 EDADLP COc1ccc(-c2cc(C[N@H+](C)CC(=O)N3CC[NH2+]CC3)on2)cc1 ZINC000647874785 452614993 /nfs/dbraw/zinc/61/49/93/452614993.db2.gz YIGZYEZDEWXVET-UHFFFAOYSA-N 2 2 344.415 1.214 20 0 EDADLP COc1ccc(-c2cc(C[N@@H+](C)CC(=O)N3CC[NH2+]CC3)on2)cc1 ZINC000647874785 452615003 /nfs/dbraw/zinc/61/50/03/452615003.db2.gz YIGZYEZDEWXVET-UHFFFAOYSA-N 2 2 344.415 1.214 20 0 EDADLP CC(C)C[NH2+]C1(CO)CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000663962177 452673633 /nfs/dbraw/zinc/67/36/33/452673633.db2.gz LQDGPLDMXLOILU-UHFFFAOYSA-N 2 2 330.436 1.239 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647938768 452680376 /nfs/dbraw/zinc/68/03/76/452680376.db2.gz UGSDYLOPBBFQDP-MAUKXSAKSA-N 2 2 349.475 1.640 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647938768 452680383 /nfs/dbraw/zinc/68/03/83/452680383.db2.gz UGSDYLOPBBFQDP-MAUKXSAKSA-N 2 2 349.475 1.640 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCOCC1 ZINC000666262152 452726321 /nfs/dbraw/zinc/72/63/21/452726321.db2.gz MJEWZZXJNBZXJO-CRAIPNDOSA-N 2 2 348.491 1.768 20 0 EDADLP C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661982725 452737057 /nfs/dbraw/zinc/73/70/57/452737057.db2.gz GLCRHBKPGJTEHP-HNNXBMFYSA-N 2 2 335.492 1.763 20 0 EDADLP C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661982725 452737067 /nfs/dbraw/zinc/73/70/67/452737067.db2.gz GLCRHBKPGJTEHP-HNNXBMFYSA-N 2 2 335.492 1.763 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662030458 452782846 /nfs/dbraw/zinc/78/28/46/452782846.db2.gz FMCKXLZCCOHUPW-IXDOHACOSA-N 2 2 344.459 1.087 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662030458 452782851 /nfs/dbraw/zinc/78/28/51/452782851.db2.gz FMCKXLZCCOHUPW-IXDOHACOSA-N 2 2 344.459 1.087 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@@H]3CC[N@@H+]3C(C)(C)C)nc[nH+]2)C1 ZINC000664138935 452817926 /nfs/dbraw/zinc/81/79/26/452817926.db2.gz MSLZYDJXIIBTLW-KKUMJFAQSA-N 2 2 333.480 1.968 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@@H]3CC[N@H+]3C(C)(C)C)nc[nH+]2)C1 ZINC000664138935 452817933 /nfs/dbraw/zinc/81/79/33/452817933.db2.gz MSLZYDJXIIBTLW-KKUMJFAQSA-N 2 2 333.480 1.968 20 0 EDADLP CC(C)[C@@H]([NH3+])CC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000648118585 452835058 /nfs/dbraw/zinc/83/50/58/452835058.db2.gz SPQNOQNVXRPTEL-GJZGRUSLSA-N 3 2 333.480 1.264 20 0 EDADLP Cc1ccc(C)c(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000658333873 452851708 /nfs/dbraw/zinc/85/17/08/452851708.db2.gz UVEWIWDRLUSAHD-INIZCTEOSA-N 2 2 348.491 1.630 20 0 EDADLP Cc1ccc(C)c(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658333873 452851714 /nfs/dbraw/zinc/85/17/14/452851714.db2.gz UVEWIWDRLUSAHD-INIZCTEOSA-N 2 2 348.491 1.630 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658343491 452855172 /nfs/dbraw/zinc/85/51/72/452855172.db2.gz LNGFFBABRVDTGS-SJLPKXTDSA-N 2 2 332.492 1.259 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658343491 452855185 /nfs/dbraw/zinc/85/51/85/452855185.db2.gz LNGFFBABRVDTGS-SJLPKXTDSA-N 2 2 332.492 1.259 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662154530 452892175 /nfs/dbraw/zinc/89/21/75/452892175.db2.gz GKJZYDQUKCOUAB-GOSISDBHSA-N 2 2 331.460 1.419 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662154530 452892182 /nfs/dbraw/zinc/89/21/82/452892182.db2.gz GKJZYDQUKCOUAB-GOSISDBHSA-N 2 2 331.460 1.419 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)c(C)[nH+]1 ZINC000658421635 452945994 /nfs/dbraw/zinc/94/59/94/452945994.db2.gz HIDBHTLGEPTQEY-KGLIPLIRSA-N 2 2 348.447 1.171 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c(C)[nH+]1 ZINC000658421635 452946000 /nfs/dbraw/zinc/94/60/00/452946000.db2.gz HIDBHTLGEPTQEY-KGLIPLIRSA-N 2 2 348.447 1.171 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000662222558 452957273 /nfs/dbraw/zinc/95/72/73/452957273.db2.gz OKLUSSZVRHHEBQ-UHFFFAOYSA-N 2 2 340.474 1.349 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000662222558 452957278 /nfs/dbraw/zinc/95/72/78/452957278.db2.gz OKLUSSZVRHHEBQ-UHFFFAOYSA-N 2 2 340.474 1.349 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000645977540 452964419 /nfs/dbraw/zinc/96/44/19/452964419.db2.gz GAAWDSAGYPHWLH-BRWVUGGUSA-N 3 2 336.524 1.297 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000645977540 452964430 /nfs/dbraw/zinc/96/44/30/452964430.db2.gz GAAWDSAGYPHWLH-BRWVUGGUSA-N 3 2 336.524 1.297 20 0 EDADLP CCC(C)(C)[NH+]1CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000656215459 452968174 /nfs/dbraw/zinc/96/81/74/452968174.db2.gz XXJVJSWVLLBWME-HOTGVXAUSA-N 2 2 347.507 1.994 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CN1C1CCCCC1 ZINC000656256002 452991026 /nfs/dbraw/zinc/99/10/26/452991026.db2.gz OTAUYUNVXSLVKI-AEFFLSMTSA-N 2 2 335.492 1.763 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CN1C1CCCCC1 ZINC000656256005 452992681 /nfs/dbraw/zinc/99/26/81/452992681.db2.gz OTAUYUNVXSLVKI-WMZOPIPTSA-N 2 2 335.492 1.763 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662261976 452994029 /nfs/dbraw/zinc/99/40/29/452994029.db2.gz RAXVNEIYJRVARA-HKUYNNGSSA-N 2 2 333.476 1.198 20 0 EDADLP COc1cc(N[C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000662278549 453004974 /nfs/dbraw/zinc/00/49/74/453004974.db2.gz GOQWIYHSBMZGIP-KDOFPFPSSA-N 2 2 335.448 1.569 20 0 EDADLP COc1cc(N[C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000662278549 453004978 /nfs/dbraw/zinc/00/49/78/453004978.db2.gz GOQWIYHSBMZGIP-KDOFPFPSSA-N 2 2 335.448 1.569 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322232 453040913 /nfs/dbraw/zinc/04/09/13/453040913.db2.gz UVIBBAFFAQJHLB-SJORKVTESA-N 2 2 327.513 1.922 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322232 453040920 /nfs/dbraw/zinc/04/09/20/453040920.db2.gz UVIBBAFFAQJHLB-SJORKVTESA-N 2 2 327.513 1.922 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000650838185 453043938 /nfs/dbraw/zinc/04/39/38/453043938.db2.gz FJOMGESOIBNIGE-MRXNPFEDSA-N 2 2 327.432 1.488 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000650838185 453043942 /nfs/dbraw/zinc/04/39/42/453043942.db2.gz FJOMGESOIBNIGE-MRXNPFEDSA-N 2 2 327.432 1.488 20 0 EDADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)cc1Cl ZINC000666670450 453055530 /nfs/dbraw/zinc/05/55/30/453055530.db2.gz VHTLEKMSFCSBPR-JTQLQIEISA-N 2 2 342.827 1.464 20 0 EDADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC)cc1Cl ZINC000666670450 453055539 /nfs/dbraw/zinc/05/55/39/453055539.db2.gz VHTLEKMSFCSBPR-JTQLQIEISA-N 2 2 342.827 1.464 20 0 EDADLP Cc1nc(CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)sc1C ZINC000664449174 453105089 /nfs/dbraw/zinc/10/50/89/453105089.db2.gz AKYMFVQBLMNLEB-UHFFFAOYSA-N 2 2 341.525 1.485 20 0 EDADLP Cc1nc(CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)sc1C ZINC000664449174 453105097 /nfs/dbraw/zinc/10/50/97/453105097.db2.gz AKYMFVQBLMNLEB-UHFFFAOYSA-N 2 2 341.525 1.485 20 0 EDADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000660194182 453126627 /nfs/dbraw/zinc/12/66/27/453126627.db2.gz FQEMALUXFVCITH-GOEBONIOSA-N 2 2 343.493 1.076 20 0 EDADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000660194182 453126632 /nfs/dbraw/zinc/12/66/32/453126632.db2.gz FQEMALUXFVCITH-GOEBONIOSA-N 2 2 343.493 1.076 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000662417193 453127424 /nfs/dbraw/zinc/12/74/24/453127424.db2.gz IQPDDNDATUGBKS-AWEZNQCLSA-N 2 2 338.249 1.756 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(Cn2cc[nH+]c2)c1 ZINC000646119467 453130256 /nfs/dbraw/zinc/13/02/56/453130256.db2.gz PHHGFGQSFANYJF-GOSISDBHSA-N 2 2 339.443 1.051 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cccc(Cn2cc[nH+]c2)c1 ZINC000646119467 453130264 /nfs/dbraw/zinc/13/02/64/453130264.db2.gz PHHGFGQSFANYJF-GOSISDBHSA-N 2 2 339.443 1.051 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCCC2)O1 ZINC000646133197 453143679 /nfs/dbraw/zinc/14/36/79/453143679.db2.gz OIMMCYYUQSECFN-HNNXBMFYSA-N 2 2 335.492 1.763 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCCC2)O1 ZINC000646133197 453143691 /nfs/dbraw/zinc/14/36/91/453143691.db2.gz OIMMCYYUQSECFN-HNNXBMFYSA-N 2 2 335.492 1.763 20 0 EDADLP CC(C)Oc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccn1 ZINC000666819522 453167634 /nfs/dbraw/zinc/16/76/34/453167634.db2.gz LTUXPGWAXYLLIH-UHFFFAOYSA-N 2 2 337.468 1.874 20 0 EDADLP CC(C)Oc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccn1 ZINC000666819522 453167639 /nfs/dbraw/zinc/16/76/39/453167639.db2.gz LTUXPGWAXYLLIH-UHFFFAOYSA-N 2 2 337.468 1.874 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000660283849 453173561 /nfs/dbraw/zinc/17/35/61/453173561.db2.gz MERRMOOWNYQVHT-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CS(=O)(=O)N1CCC([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000666883447 453212724 /nfs/dbraw/zinc/21/27/24/453212724.db2.gz PGKYTWSACGWHEE-GOSISDBHSA-N 2 2 347.484 1.853 20 0 EDADLP CC(C)[C@H]1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664577841 453212912 /nfs/dbraw/zinc/21/29/12/453212912.db2.gz UWMHQFHKMQEQCM-JKSUJKDBSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC[N@@H+]1C ZINC000648736060 453222833 /nfs/dbraw/zinc/22/28/33/453222833.db2.gz GZXKTFUKVWTLKC-IIAWOOMASA-N 2 2 332.448 1.263 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CC[N@H+]1C ZINC000648736060 453222838 /nfs/dbraw/zinc/22/28/38/453222838.db2.gz GZXKTFUKVWTLKC-IIAWOOMASA-N 2 2 332.448 1.263 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660339539 453228636 /nfs/dbraw/zinc/22/86/36/453228636.db2.gz IRNLHHZCMYRDBP-INIZCTEOSA-N 2 2 347.463 1.200 20 0 EDADLP CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058815 453235181 /nfs/dbraw/zinc/23/51/81/453235181.db2.gz HFZQUVTUVQRLOW-HUUCEWRRSA-N 2 2 335.448 1.344 20 0 EDADLP CN(Cc1ccccc1Br)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058458 453235539 /nfs/dbraw/zinc/23/55/39/453235539.db2.gz UROYPZJMWBJNAN-ZDUSSCGKSA-N 2 2 328.254 1.687 20 0 EDADLP CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653074334 453253257 /nfs/dbraw/zinc/25/32/57/453253257.db2.gz DXWLIBSWAXRDGW-HNNXBMFYSA-N 2 2 334.464 1.823 20 0 EDADLP Cn1ccnc1Sc1ccccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653081493 453262788 /nfs/dbraw/zinc/26/27/88/453262788.db2.gz QOXUWGYLGFOACS-LBPRGKRZSA-N 2 2 333.461 1.789 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000653086587 453268788 /nfs/dbraw/zinc/26/87/88/453268788.db2.gz WPJJSZNJNZQNJY-ZIAGYGMSSA-N 2 2 340.265 1.832 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000653088023 453271397 /nfs/dbraw/zinc/27/13/97/453271397.db2.gz OMINJLPJXQMKRK-WDEREUQCSA-N 2 2 332.231 1.822 20 0 EDADLP C[C@H]1C[C@@H](CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664639945 453275995 /nfs/dbraw/zinc/27/59/95/453275995.db2.gz GPIOCIFSAGXDSP-HOTGVXAUSA-N 2 2 328.501 1.374 20 0 EDADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653093198 453276700 /nfs/dbraw/zinc/27/67/00/453276700.db2.gz ZBDSYAXQCAXPDO-CQDKDKBSSA-N 2 2 327.856 1.811 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000653106635 453289561 /nfs/dbraw/zinc/28/95/61/453289561.db2.gz GNWFNYASSOSYDA-SFHVURJKSA-N 3 2 332.492 1.568 20 0 EDADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653108588 453290959 /nfs/dbraw/zinc/29/09/59/453290959.db2.gz AROMXVRFJITGND-QFBILLFUSA-N 3 2 346.519 1.956 20 0 EDADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653108588 453290967 /nfs/dbraw/zinc/29/09/67/453290967.db2.gz AROMXVRFJITGND-QFBILLFUSA-N 3 2 346.519 1.956 20 0 EDADLP Cc1cnc([C@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000664657397 453291750 /nfs/dbraw/zinc/29/17/50/453291750.db2.gz LEWQGPKECGSKJN-CYBMUJFWSA-N 2 2 341.525 1.738 20 0 EDADLP Cc1cnc([C@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664657397 453291755 /nfs/dbraw/zinc/29/17/55/453291755.db2.gz LEWQGPKECGSKJN-CYBMUJFWSA-N 2 2 341.525 1.738 20 0 EDADLP CC(C)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1nc(-c2ccncc2)no1 ZINC000653114839 453303561 /nfs/dbraw/zinc/30/35/61/453303561.db2.gz YFQVYVUQQZCWFZ-KGLIPLIRSA-N 2 2 346.435 1.224 20 0 EDADLP C[C@@H](c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000653117899 453307062 /nfs/dbraw/zinc/30/70/62/453307062.db2.gz YSTOGPGGYSPCBA-WMLDXEAASA-N 3 2 334.464 1.297 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000653119232 453308426 /nfs/dbraw/zinc/30/84/26/453308426.db2.gz BXNAEXFBFWNFLX-HNNXBMFYSA-N 2 2 342.447 1.499 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653125090 453319054 /nfs/dbraw/zinc/31/90/54/453319054.db2.gz SJPCISWDOMVRTD-RBUKOAKNSA-N 2 2 342.487 1.455 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@]1(C)CCO[C@H]1C1CC1 ZINC000664693600 453325633 /nfs/dbraw/zinc/32/56/33/453325633.db2.gz FSPSYGVDVVEFDP-WMZOPIPTSA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@]1(C)CCO[C@H]1C1CC1 ZINC000664693600 453325639 /nfs/dbraw/zinc/32/56/39/453325639.db2.gz FSPSYGVDVVEFDP-WMZOPIPTSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1)n1cc[nH+]c1 ZINC000653135083 453326470 /nfs/dbraw/zinc/32/64/70/453326470.db2.gz SIEKASXKTALQIC-LLVKDONJSA-N 2 2 325.376 1.717 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653148057 453333602 /nfs/dbraw/zinc/33/36/02/453333602.db2.gz MSTCSQKHNPDMRH-GOSISDBHSA-N 3 2 348.491 1.009 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653148057 453333608 /nfs/dbraw/zinc/33/36/08/453333608.db2.gz MSTCSQKHNPDMRH-GOSISDBHSA-N 3 2 348.491 1.009 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151708 453340798 /nfs/dbraw/zinc/34/07/98/453340798.db2.gz POHGKWZVPJONDH-FUHWJXTLSA-N 3 2 332.492 1.388 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151708 453340806 /nfs/dbraw/zinc/34/08/06/453340806.db2.gz POHGKWZVPJONDH-FUHWJXTLSA-N 3 2 332.492 1.388 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000648869621 453344592 /nfs/dbraw/zinc/34/45/92/453344592.db2.gz ZTJQNELYKRKHNC-GJZGRUSLSA-N 2 2 344.463 1.645 20 0 EDADLP Cc1ccc(Br)cc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653156384 453347612 /nfs/dbraw/zinc/34/76/12/453347612.db2.gz ZNEOUOHKNIMKEQ-CYBMUJFWSA-N 2 2 328.254 1.653 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244688 453367537 /nfs/dbraw/zinc/36/75/37/453367537.db2.gz SAFBHMQSGRWRJG-NYXISSTPSA-N 2 2 325.497 1.862 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244688 453367545 /nfs/dbraw/zinc/36/75/45/453367545.db2.gz SAFBHMQSGRWRJG-NYXISSTPSA-N 2 2 325.497 1.862 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000646445258 453391787 /nfs/dbraw/zinc/39/17/87/453391787.db2.gz QQCDTUOGJBRKCW-CABCVRRESA-N 2 2 345.434 1.285 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000646445258 453391794 /nfs/dbraw/zinc/39/17/94/453391794.db2.gz QQCDTUOGJBRKCW-CABCVRRESA-N 2 2 345.434 1.285 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000667090392 453398840 /nfs/dbraw/zinc/39/88/40/453398840.db2.gz KQVLSTHSGZOQMU-HZPDHXFCSA-N 2 2 344.484 1.972 20 0 EDADLP C[C@@H]1C[C@@H](CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000664843593 453441059 /nfs/dbraw/zinc/44/10/59/453441059.db2.gz AONLTERZTNTMJW-BJWYYQGGSA-N 2 2 342.528 1.763 20 0 EDADLP C[C@@H]1C[C@@H](CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000664843593 453441068 /nfs/dbraw/zinc/44/10/68/453441068.db2.gz AONLTERZTNTMJW-BJWYYQGGSA-N 2 2 342.528 1.763 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653258466 453441680 /nfs/dbraw/zinc/44/16/80/453441680.db2.gz JJYXEFCJHZSUSC-PVAVHDDUSA-N 2 2 346.475 1.649 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)COCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000646504132 453445323 /nfs/dbraw/zinc/44/53/23/453445323.db2.gz VSBAICRTBQXFGN-BBRMVZONSA-N 2 2 345.365 1.331 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)COCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000646504132 453445333 /nfs/dbraw/zinc/44/53/33/453445333.db2.gz VSBAICRTBQXFGN-BBRMVZONSA-N 2 2 345.365 1.331 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662741018 453468075 /nfs/dbraw/zinc/46/80/75/453468075.db2.gz BXILQHHVKSYBIF-KURKYZTESA-N 2 2 330.476 1.046 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662741018 453468090 /nfs/dbraw/zinc/46/80/90/453468090.db2.gz BXILQHHVKSYBIF-KURKYZTESA-N 2 2 330.476 1.046 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662745132 453474643 /nfs/dbraw/zinc/47/46/43/453474643.db2.gz VFTGMMXXMAQHEM-QYZOEREBSA-N 2 2 344.503 1.307 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662745132 453474650 /nfs/dbraw/zinc/47/46/50/453474650.db2.gz VFTGMMXXMAQHEM-QYZOEREBSA-N 2 2 344.503 1.307 20 0 EDADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000662752948 453488779 /nfs/dbraw/zinc/48/87/79/453488779.db2.gz VSGKBBCHIZUVDZ-IRXDYDNUSA-N 2 2 342.443 1.496 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655357 453494358 /nfs/dbraw/zinc/49/43/58/453494358.db2.gz GSTACYXSLBNQPP-IFXJQAMLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655357 453494360 /nfs/dbraw/zinc/49/43/60/453494360.db2.gz GSTACYXSLBNQPP-IFXJQAMLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655357 453494367 /nfs/dbraw/zinc/49/43/67/453494367.db2.gz GSTACYXSLBNQPP-IFXJQAMLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655357 453494372 /nfs/dbraw/zinc/49/43/72/453494372.db2.gz GSTACYXSLBNQPP-IFXJQAMLSA-N 2 2 344.459 1.530 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1(C)C ZINC000662760594 453498992 /nfs/dbraw/zinc/49/89/92/453498992.db2.gz XRHARAIQLBWYDF-TZMCWYRMSA-N 2 2 343.435 1.159 20 0 EDADLP C[C@H](NC(=O)N1CCC(OCCC[NH+](C)C)CC1)c1[nH+]ccn1C ZINC000667253817 453514684 /nfs/dbraw/zinc/51/46/84/453514684.db2.gz LOXJHQAVZNAVAI-AWEZNQCLSA-N 2 2 337.468 1.623 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000664965096 453520382 /nfs/dbraw/zinc/52/03/82/453520382.db2.gz BCHNBZDVLQHVNE-ROUUACIJSA-N 2 2 332.492 1.973 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000664965096 453520388 /nfs/dbraw/zinc/52/03/88/453520388.db2.gz BCHNBZDVLQHVNE-ROUUACIJSA-N 2 2 332.492 1.973 20 0 EDADLP COc1cc[nH+]c(CN2CCC(CO)([NH2+]CC(C)C)CC2)c1OC ZINC000660697582 453521005 /nfs/dbraw/zinc/52/10/05/453521005.db2.gz IJSYSZCFDVXUJW-UHFFFAOYSA-N 2 2 337.464 1.671 20 0 EDADLP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000655443060 453530373 /nfs/dbraw/zinc/53/03/73/453530373.db2.gz MNMNAYNPSBWCJM-AZUAARDMSA-N 2 2 343.471 1.599 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659017184 453583216 /nfs/dbraw/zinc/58/32/16/453583216.db2.gz GDRXMIVBISQENC-QGZVFWFLSA-N 2 2 330.432 1.271 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900440 453593077 /nfs/dbraw/zinc/59/30/77/453593077.db2.gz LPRXQXVFUGOXMU-OALUTQOASA-N 3 2 344.503 1.183 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900440 453593083 /nfs/dbraw/zinc/59/30/83/453593083.db2.gz LPRXQXVFUGOXMU-OALUTQOASA-N 3 2 344.503 1.183 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc([C@H]3C[NH2+]CCO3)cc1)CC2 ZINC000659038262 453593476 /nfs/dbraw/zinc/59/34/76/453593476.db2.gz NZJWPACFZQAXRM-MRXNPFEDSA-N 2 2 341.415 1.900 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1CC(F)(F)C1 ZINC000657071602 453660800 /nfs/dbraw/zinc/66/08/00/453660800.db2.gz SJXIZKOIAJBXAE-LBPRGKRZSA-N 2 2 341.468 1.223 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1CC(F)(F)C1 ZINC000657071602 453660803 /nfs/dbraw/zinc/66/08/03/453660803.db2.gz SJXIZKOIAJBXAE-LBPRGKRZSA-N 2 2 341.468 1.223 20 0 EDADLP CNC(=O)c1ccc(C)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000665480029 453710984 /nfs/dbraw/zinc/71/09/84/453710984.db2.gz LLNSWLSGXOBCAE-UHFFFAOYSA-N 2 2 349.479 1.360 20 0 EDADLP CNC(=O)c1ccc(C)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665480029 453710988 /nfs/dbraw/zinc/71/09/88/453710988.db2.gz LLNSWLSGXOBCAE-UHFFFAOYSA-N 2 2 349.479 1.360 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000665616072 453767747 /nfs/dbraw/zinc/76/77/47/453767747.db2.gz WSBWNOJJUGTCPY-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000665616072 453767750 /nfs/dbraw/zinc/76/77/50/453767750.db2.gz WSBWNOJJUGTCPY-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CC[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000657338169 453769197 /nfs/dbraw/zinc/76/91/97/453769197.db2.gz SXQHAOFQBOUJBC-CVEARBPZSA-N 2 2 332.448 1.277 20 0 EDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657371796 453777473 /nfs/dbraw/zinc/77/74/73/453777473.db2.gz NAFVWZBSKCEKJN-RTBURBONSA-N 2 2 340.471 1.802 20 0 EDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657371796 453777475 /nfs/dbraw/zinc/77/74/75/453777475.db2.gz NAFVWZBSKCEKJN-RTBURBONSA-N 2 2 340.471 1.802 20 0 EDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c[nH+]c2n1CCC2 ZINC000657373373 453777564 /nfs/dbraw/zinc/77/75/64/453777564.db2.gz UGYVRSAMQHGEIT-MJGOQNOKSA-N 2 2 340.471 1.802 20 0 EDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1c[nH+]c2n1CCC2 ZINC000657373373 453777569 /nfs/dbraw/zinc/77/75/69/453777569.db2.gz UGYVRSAMQHGEIT-MJGOQNOKSA-N 2 2 340.471 1.802 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C)CO1 ZINC000663410212 453791693 /nfs/dbraw/zinc/79/16/93/453791693.db2.gz ZOUMXSONGITZHK-ZIAGYGMSSA-N 2 2 340.512 1.704 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C)CO1 ZINC000663410212 453791695 /nfs/dbraw/zinc/79/16/95/453791695.db2.gz ZOUMXSONGITZHK-ZIAGYGMSSA-N 2 2 340.512 1.704 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663490010 453808820 /nfs/dbraw/zinc/80/88/20/453808820.db2.gz OGGNUJAVHDCLRA-OAHLLOKOSA-N 2 2 333.480 1.795 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000663524779 453815915 /nfs/dbraw/zinc/81/59/15/453815915.db2.gz XDDZDZILUAGDSV-INIZCTEOSA-N 2 2 345.422 1.852 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000524709581 486652595 /nfs/dbraw/zinc/65/25/95/486652595.db2.gz OFSYPBWXFMXZCY-UHFFFAOYSA-N 2 2 329.448 1.021 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC1 ZINC000524789345 486653184 /nfs/dbraw/zinc/65/31/84/486653184.db2.gz RWJNFTFYRTWOQE-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccnc3C3CC3)C2)CC1 ZINC000680191523 486718120 /nfs/dbraw/zinc/71/81/20/486718120.db2.gz OUZNNKWLTQZNQW-OAHLLOKOSA-N 2 2 328.460 1.857 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccnc3C3CC3)C2)CC1 ZINC000680191523 486718126 /nfs/dbraw/zinc/71/81/26/486718126.db2.gz OUZNNKWLTQZNQW-OAHLLOKOSA-N 2 2 328.460 1.857 20 0 EDADLP CN(C)c1cc[nH+]c(NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)c1 ZINC000680259732 486732174 /nfs/dbraw/zinc/73/21/74/486732174.db2.gz KBROGDOPXWFULG-UHFFFAOYSA-N 2 2 339.403 1.748 20 0 EDADLP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676347564 486743743 /nfs/dbraw/zinc/74/37/43/486743743.db2.gz MEMPADOIMPCEOD-KBXCAEBGSA-N 2 2 340.427 1.696 20 0 EDADLP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676347564 486743747 /nfs/dbraw/zinc/74/37/47/486743747.db2.gz MEMPADOIMPCEOD-KBXCAEBGSA-N 2 2 340.427 1.696 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cnnn1-c1ccccc1 ZINC000676385305 486752484 /nfs/dbraw/zinc/75/24/84/486752484.db2.gz OOFIPQJUWMESFX-UHFFFAOYSA-N 2 2 342.491 1.725 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cnnn1-c1ccccc1 ZINC000676385305 486752488 /nfs/dbraw/zinc/75/24/88/486752488.db2.gz OOFIPQJUWMESFX-UHFFFAOYSA-N 2 2 342.491 1.725 20 0 EDADLP COc1cc2c(cc1C[N@H+](CCO)C1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000676414626 486762158 /nfs/dbraw/zinc/76/21/58/486762158.db2.gz ZTTMFIMRBFPCPX-AWEZNQCLSA-N 2 2 334.460 1.907 20 0 EDADLP COc1cc2c(cc1C[N@@H+](CCO)C1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000676414626 486762160 /nfs/dbraw/zinc/76/21/60/486762160.db2.gz ZTTMFIMRBFPCPX-AWEZNQCLSA-N 2 2 334.460 1.907 20 0 EDADLP C[NH+]1CCC(n2ccc(NC(=O)NCCNc3cccc[nH+]3)n2)CC1 ZINC000683814125 486825003 /nfs/dbraw/zinc/82/50/03/486825003.db2.gz MKPXJTMHOMJXJG-UHFFFAOYSA-N 2 2 343.435 1.778 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCC3(F)F)C2)CC1 ZINC000672874891 486825752 /nfs/dbraw/zinc/82/57/52/486825752.db2.gz ZASNLEUOGOECKA-TZMCWYRMSA-N 2 2 330.423 1.642 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCC3(F)F)C2)CC1 ZINC000672874891 486825755 /nfs/dbraw/zinc/82/57/55/486825755.db2.gz ZASNLEUOGOECKA-TZMCWYRMSA-N 2 2 330.423 1.642 20 0 EDADLP c1c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)[nH]c2ccccc12 ZINC000683929755 486870706 /nfs/dbraw/zinc/87/07/06/486870706.db2.gz PUQZUCMNWZXWHE-QGZVFWFLSA-N 2 2 328.460 1.664 20 0 EDADLP C[C@@H](CC(F)(F)F)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680978515 486912165 /nfs/dbraw/zinc/91/21/65/486912165.db2.gz AACGYXCYQLKXJK-NWDGAFQWSA-N 2 2 336.402 1.795 20 0 EDADLP C[C@@H](CC(F)(F)F)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680978515 486912169 /nfs/dbraw/zinc/91/21/69/486912169.db2.gz AACGYXCYQLKXJK-NWDGAFQWSA-N 2 2 336.402 1.795 20 0 EDADLP CN(C(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681219125 486977238 /nfs/dbraw/zinc/97/72/38/486977238.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681219125 486977241 /nfs/dbraw/zinc/97/72/41/486977241.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681219125 486977244 /nfs/dbraw/zinc/97/72/44/486977244.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681219125 486977248 /nfs/dbraw/zinc/97/72/48/486977248.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 3 2 349.523 1.033 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667812839 486978170 /nfs/dbraw/zinc/97/81/70/486978170.db2.gz YJGNHLWUBWZKDG-GVDBMIGSSA-N 3 2 347.507 1.398 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667812839 486978172 /nfs/dbraw/zinc/97/81/72/486978172.db2.gz YJGNHLWUBWZKDG-GVDBMIGSSA-N 3 2 347.507 1.398 20 0 EDADLP Cc1ccccc1-n1nccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000684372554 487040640 /nfs/dbraw/zinc/04/06/40/487040640.db2.gz QHZQOWIUVWYIBR-UHFFFAOYSA-N 2 2 327.432 1.044 20 0 EDADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673524099 487047208 /nfs/dbraw/zinc/04/72/08/487047208.db2.gz PHCYUWITSGQRFW-DLBZAZTESA-N 2 2 337.439 1.219 20 0 EDADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000673524099 487047212 /nfs/dbraw/zinc/04/72/12/487047212.db2.gz PHCYUWITSGQRFW-DLBZAZTESA-N 2 2 337.439 1.219 20 0 EDADLP COC1CC[NH+](CCNC(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000684454363 487065365 /nfs/dbraw/zinc/06/53/65/487065365.db2.gz GZHYXEKKLJOLAE-UHFFFAOYSA-N 2 2 330.432 1.722 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[NH+](CC3CCOCC3)CC1)C2 ZINC000681523256 487069840 /nfs/dbraw/zinc/06/98/40/487069840.db2.gz WCQCNQSWFUGNPK-MRXNPFEDSA-N 2 2 346.475 1.394 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[NH+](CC3CCOCC3)CC1)CC2 ZINC000681523256 487069847 /nfs/dbraw/zinc/06/98/47/487069847.db2.gz WCQCNQSWFUGNPK-MRXNPFEDSA-N 2 2 346.475 1.394 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673777908 487111196 /nfs/dbraw/zinc/11/11/96/487111196.db2.gz VIHKMSVZXYEGPT-UHFFFAOYSA-N 2 2 347.463 1.453 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673777908 487111197 /nfs/dbraw/zinc/11/11/97/487111197.db2.gz VIHKMSVZXYEGPT-UHFFFAOYSA-N 2 2 347.463 1.453 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@@H](C)C[NH+]3CCOCC3)cc2[nH+]1 ZINC000668155287 487121606 /nfs/dbraw/zinc/12/16/06/487121606.db2.gz JOFDJTOMGABBJN-CYBMUJFWSA-N 2 2 331.420 1.733 20 0 EDADLP Cc1[nH+]cc(CN2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)n1C ZINC000668155721 487122022 /nfs/dbraw/zinc/12/20/22/487122022.db2.gz XSVRTPDPDUCOLE-KRWDZBQOSA-N 2 2 327.432 1.073 20 0 EDADLP Cc1ncc([C@@H](C)[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c(C)n1 ZINC000682070089 487298513 /nfs/dbraw/zinc/29/85/13/487298513.db2.gz JMRRICMVKRIDLS-WBVHZDCISA-N 2 2 333.480 1.103 20 0 EDADLP Cc1ncc([C@@H](C)[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c(C)n1 ZINC000682070089 487298515 /nfs/dbraw/zinc/29/85/15/487298515.db2.gz JMRRICMVKRIDLS-WBVHZDCISA-N 2 2 333.480 1.103 20 0 EDADLP C[C@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC[NH+](C)CC1 ZINC000682197124 487320222 /nfs/dbraw/zinc/32/02/22/487320222.db2.gz YTAFFUVYAFKDSI-LBPRGKRZSA-N 2 2 329.404 1.119 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)Cc2ccccc2C1 ZINC000682504611 487377911 /nfs/dbraw/zinc/37/79/11/487377911.db2.gz LRQVBVFFKIORAC-KRWDZBQOSA-N 2 2 338.455 1.661 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH+](C(C)(C)CO)CC3)[nH+]c12 ZINC000679316566 487412899 /nfs/dbraw/zinc/41/28/99/487412899.db2.gz RAOQXYIJRAMETL-UHFFFAOYSA-N 2 2 330.432 1.100 20 0 EDADLP Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000679334094 487415836 /nfs/dbraw/zinc/41/58/36/487415836.db2.gz GYKYZLCFXBZPET-AWEZNQCLSA-N 2 2 341.459 1.957 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000682915076 487430688 /nfs/dbraw/zinc/43/06/88/487430688.db2.gz LEKUQVXYTWHYIE-DOTOQJQBSA-N 2 2 341.459 1.951 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1Cc1ccccc1 ZINC000682915076 487430691 /nfs/dbraw/zinc/43/06/91/487430691.db2.gz LEKUQVXYTWHYIE-DOTOQJQBSA-N 2 2 341.459 1.951 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(F)cn1 ZINC000675729757 487439583 /nfs/dbraw/zinc/43/95/83/487439583.db2.gz LAUJZUDYVBEELH-UHFFFAOYSA-N 2 2 337.443 1.388 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(F)cn1 ZINC000675729757 487439584 /nfs/dbraw/zinc/43/95/84/487439584.db2.gz LAUJZUDYVBEELH-UHFFFAOYSA-N 2 2 337.443 1.388 20 0 EDADLP CN(CCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000675746906 487441130 /nfs/dbraw/zinc/44/11/30/487441130.db2.gz QUCSEBQELLWJHG-QGZVFWFLSA-N 2 2 339.505 1.522 20 0 EDADLP CN(CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000675746906 487441133 /nfs/dbraw/zinc/44/11/33/487441133.db2.gz QUCSEBQELLWJHG-QGZVFWFLSA-N 2 2 339.505 1.522 20 0 EDADLP C[N@H+](CCOC(C)(C)C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000676043326 487468424 /nfs/dbraw/zinc/46/84/24/487468424.db2.gz OZCVYEDNHDRSKO-UHFFFAOYSA-N 2 2 348.491 1.867 20 0 EDADLP C[N@@H+](CCOC(C)(C)C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000676043326 487468425 /nfs/dbraw/zinc/46/84/25/487468425.db2.gz OZCVYEDNHDRSKO-UHFFFAOYSA-N 2 2 348.491 1.867 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000669517071 485482264 /nfs/dbraw/zinc/48/22/64/485482264.db2.gz ZFEUPEWGFLBLBZ-XQQFMLRXSA-N 2 2 336.402 1.639 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000669517071 485482269 /nfs/dbraw/zinc/48/22/69/485482269.db2.gz ZFEUPEWGFLBLBZ-XQQFMLRXSA-N 2 2 336.402 1.639 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCCC1 ZINC000670536059 485491713 /nfs/dbraw/zinc/49/17/13/485491713.db2.gz ARHCYSWKWISLIJ-OAHLLOKOSA-N 2 2 347.463 1.037 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668253281 485515234 /nfs/dbraw/zinc/51/52/34/485515234.db2.gz BHFVQJCRMSLOLL-HKUYNNGSSA-N 2 2 345.487 1.703 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668253281 485515240 /nfs/dbraw/zinc/51/52/40/485515240.db2.gz BHFVQJCRMSLOLL-HKUYNNGSSA-N 2 2 345.487 1.703 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453276303 485519201 /nfs/dbraw/zinc/51/92/01/485519201.db2.gz GDMXLNLYBQGHSP-IKGGRYGDSA-N 2 2 339.505 1.739 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453276303 485519207 /nfs/dbraw/zinc/51/92/07/485519207.db2.gz GDMXLNLYBQGHSP-IKGGRYGDSA-N 2 2 339.505 1.739 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@@H+]1C ZINC000352001762 485576826 /nfs/dbraw/zinc/57/68/26/485576826.db2.gz CVBQTSRXXFEIMZ-ZIFCJYIRSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@H+]1C ZINC000352001762 485576831 /nfs/dbraw/zinc/57/68/31/485576831.db2.gz CVBQTSRXXFEIMZ-ZIFCJYIRSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1C ZINC000352001762 485576838 /nfs/dbraw/zinc/57/68/38/485576838.db2.gz CVBQTSRXXFEIMZ-ZIFCJYIRSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1C ZINC000352001762 485576843 /nfs/dbraw/zinc/57/68/43/485576843.db2.gz CVBQTSRXXFEIMZ-ZIFCJYIRSA-N 2 2 345.487 1.829 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@H+](CC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000677173290 485911219 /nfs/dbraw/zinc/91/12/19/485911219.db2.gz LCLMMNLDZZRQQQ-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](CC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000677173290 485911222 /nfs/dbraw/zinc/91/12/22/485911222.db2.gz LCLMMNLDZZRQQQ-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000668618988 485960637 /nfs/dbraw/zinc/96/06/37/485960637.db2.gz WYCFSNSBVGDLIO-NJAFHUGGSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000668618988 485960644 /nfs/dbraw/zinc/96/06/44/485960644.db2.gz WYCFSNSBVGDLIO-NJAFHUGGSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237443084 485983647 /nfs/dbraw/zinc/98/36/47/485983647.db2.gz RMMDCLIAMSFSJO-WBVHZDCISA-N 2 2 348.466 1.595 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N[C@H]1CCC[NH2+]CC1 ZINC000669366283 486014895 /nfs/dbraw/zinc/01/48/95/486014895.db2.gz KBRVWRCTUVCOQS-ROUUACIJSA-N 2 2 346.475 1.501 20 0 EDADLP NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000515165235 486056816 /nfs/dbraw/zinc/05/68/16/486056816.db2.gz OUFIQQBDZRBLDR-KRWDZBQOSA-N 2 2 343.406 1.489 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C[N@@H+]1CCO ZINC000668758560 486159744 /nfs/dbraw/zinc/15/97/44/486159744.db2.gz XAWDJLJMVJUYCU-KGLIPLIRSA-N 2 2 344.419 1.186 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C[N@H+]1CCO ZINC000668758560 486159747 /nfs/dbraw/zinc/15/97/47/486159747.db2.gz XAWDJLJMVJUYCU-KGLIPLIRSA-N 2 2 344.419 1.186 20 0 EDADLP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670787175 486218547 /nfs/dbraw/zinc/21/85/47/486218547.db2.gz MLIDQMXGHVATSG-GOSISDBHSA-N 3 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670787175 486218550 /nfs/dbraw/zinc/21/85/50/486218550.db2.gz MLIDQMXGHVATSG-GOSISDBHSA-N 3 2 341.459 1.575 20 0 EDADLP CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669487309 486256080 /nfs/dbraw/zinc/25/60/80/486256080.db2.gz HGZCBHAAQHRUFI-HZPDHXFCSA-N 2 2 338.883 1.945 20 0 EDADLP CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669487309 486256087 /nfs/dbraw/zinc/25/60/87/486256087.db2.gz HGZCBHAAQHRUFI-HZPDHXFCSA-N 2 2 338.883 1.945 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1 ZINC000668873907 486286737 /nfs/dbraw/zinc/28/67/37/486286737.db2.gz WHGJETIISMOHBY-HNNXBMFYSA-N 2 2 327.432 1.903 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670076607 486600264 /nfs/dbraw/zinc/60/02/64/486600264.db2.gz WTDCXMQWXULQES-AWEZNQCLSA-N 2 2 347.463 1.287 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cc[nH+]cc1N(C)C ZINC000670076607 486600267 /nfs/dbraw/zinc/60/02/67/486600267.db2.gz WTDCXMQWXULQES-AWEZNQCLSA-N 2 2 347.463 1.287 20 0 EDADLP CC[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123840813 491207373 /nfs/dbraw/zinc/20/73/73/491207373.db2.gz ZXJLUDYMHVSFIF-SZMVWBNQSA-N 2 2 333.476 1.732 20 0 EDADLP CC[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123840813 491207374 /nfs/dbraw/zinc/20/73/74/491207374.db2.gz ZXJLUDYMHVSFIF-SZMVWBNQSA-N 2 2 333.476 1.732 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000228722506 491236532 /nfs/dbraw/zinc/23/65/32/491236532.db2.gz LQAJUPZUJRGLAK-CQSZACIVSA-N 2 2 345.237 1.580 20 0 EDADLP COCC(COC)[NH+]1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668237046 490995092 /nfs/dbraw/zinc/99/50/92/490995092.db2.gz DQNUGFJZEMZSEN-UHFFFAOYSA-N 2 2 345.447 1.046 20 0 EDADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181042376 534481201 /nfs/dbraw/zinc/48/12/01/534481201.db2.gz ZSHPTLFTGGMALL-HUUCEWRRSA-N 2 2 337.489 1.640 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2=O)n1 ZINC000173785725 534770638 /nfs/dbraw/zinc/77/06/38/534770638.db2.gz SJIMGIGSGHYTHA-CVEARBPZSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2=O)n1 ZINC000173785725 534770649 /nfs/dbraw/zinc/77/06/49/534770649.db2.gz SJIMGIGSGHYTHA-CVEARBPZSA-N 2 2 331.464 1.333 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153348967 527847465 /nfs/dbraw/zinc/84/74/65/527847465.db2.gz PSHBTCDBUJIRPF-HZPDHXFCSA-N 2 2 331.464 1.642 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153348967 527847470 /nfs/dbraw/zinc/84/74/70/527847470.db2.gz PSHBTCDBUJIRPF-HZPDHXFCSA-N 2 2 331.464 1.642 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000174427209 528092235 /nfs/dbraw/zinc/09/22/35/528092235.db2.gz FWAPZXJCPVLQTO-LJQANCHMSA-N 2 2 345.487 1.785 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000174427209 528092239 /nfs/dbraw/zinc/09/22/39/528092239.db2.gz FWAPZXJCPVLQTO-LJQANCHMSA-N 2 2 345.487 1.785 20 0 EDADLP CC[N@H+](CCCNC(=O)NCC[NH+]1CCCOCC1)c1ccccc1 ZINC000186845290 528455433 /nfs/dbraw/zinc/45/54/33/528455433.db2.gz SDZPVUOCVZRPRW-UHFFFAOYSA-N 2 2 348.491 1.925 20 0 EDADLP CC[N@@H+](CCCNC(=O)NCC[NH+]1CCCOCC1)c1ccccc1 ZINC000186845290 528455439 /nfs/dbraw/zinc/45/54/39/528455439.db2.gz SDZPVUOCVZRPRW-UHFFFAOYSA-N 2 2 348.491 1.925 20 0 EDADLP CC[NH+](CCCNC(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000186845290 528455442 /nfs/dbraw/zinc/45/54/42/528455442.db2.gz SDZPVUOCVZRPRW-UHFFFAOYSA-N 2 2 348.491 1.925 20 0 EDADLP CC[NH+](CCCNC(=O)NCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000186845290 528455445 /nfs/dbraw/zinc/45/54/45/528455445.db2.gz SDZPVUOCVZRPRW-UHFFFAOYSA-N 2 2 348.491 1.925 20 0 EDADLP CCCS(=O)(=O)NC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179677777 528813095 /nfs/dbraw/zinc/81/30/95/528813095.db2.gz SYLJMSHMUPDWEO-UHFFFAOYSA-N 2 2 336.461 1.628 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000171529802 529152482 /nfs/dbraw/zinc/15/24/82/529152482.db2.gz FGSHMZPNAWNLQN-AWEZNQCLSA-N 2 2 331.420 1.541 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000171529802 529152483 /nfs/dbraw/zinc/15/24/83/529152483.db2.gz FGSHMZPNAWNLQN-AWEZNQCLSA-N 2 2 331.420 1.541 20 0 EDADLP CC1CC[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000345967939 535278531 /nfs/dbraw/zinc/27/85/31/535278531.db2.gz FIHFKQGVCYXVAD-SJORKVTESA-N 2 2 338.496 1.223 20 0 EDADLP CC1CC[NH+](CCCNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000345967939 535278536 /nfs/dbraw/zinc/27/85/36/535278536.db2.gz FIHFKQGVCYXVAD-SJORKVTESA-N 2 2 338.496 1.223 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000262203572 535297712 /nfs/dbraw/zinc/29/77/12/535297712.db2.gz KRGBRICFOQTRMI-GOSISDBHSA-N 2 2 345.487 1.913 20 0 EDADLP CCOCC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000339365219 535438884 /nfs/dbraw/zinc/43/88/84/535438884.db2.gz ZSYORDJOHAUQRM-UHFFFAOYSA-N 2 2 339.505 1.797 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245651949 535484281 /nfs/dbraw/zinc/48/42/81/535484281.db2.gz CAFNRKHLLHWSLT-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245651949 535484283 /nfs/dbraw/zinc/48/42/83/535484283.db2.gz CAFNRKHLLHWSLT-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262693989 535527461 /nfs/dbraw/zinc/52/74/61/535527461.db2.gz CEQRUEFYUUDFKI-GOSISDBHSA-N 2 2 336.455 1.581 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000236970813 535655295 /nfs/dbraw/zinc/65/52/95/535655295.db2.gz NRPXLXIGKVDENJ-FZKQIMNGSA-N 2 2 349.475 1.552 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000236970813 535655299 /nfs/dbraw/zinc/65/52/99/535655299.db2.gz NRPXLXIGKVDENJ-FZKQIMNGSA-N 2 2 349.475 1.552 20 0 EDADLP CC[NH+]1CCN(CCC[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352765017 535698634 /nfs/dbraw/zinc/69/86/34/535698634.db2.gz IBILCYILFBNSTN-UHFFFAOYSA-N 3 2 325.526 1.322 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc4cc(C)ccn34)C2)CC1 ZINC000093132918 535738617 /nfs/dbraw/zinc/73/86/17/535738617.db2.gz ISFBTSPFTKNCEF-QGZVFWFLSA-N 2 2 327.476 1.855 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4cc(C)ccn34)C2)CC1 ZINC000093132918 535738622 /nfs/dbraw/zinc/73/86/22/535738622.db2.gz ISFBTSPFTKNCEF-QGZVFWFLSA-N 2 2 327.476 1.855 20 0 EDADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1)C1CC1 ZINC000247053705 535775840 /nfs/dbraw/zinc/77/58/40/535775840.db2.gz ZKBYBVMPTIGEEB-KRWDZBQOSA-N 2 2 344.459 1.559 20 0 EDADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1)C1CC1 ZINC000247053705 535775843 /nfs/dbraw/zinc/77/58/43/535775843.db2.gz ZKBYBVMPTIGEEB-KRWDZBQOSA-N 2 2 344.459 1.559 20 0 EDADLP CC[NH+](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)C1CC1 ZINC000247053705 535775846 /nfs/dbraw/zinc/77/58/46/535775846.db2.gz ZKBYBVMPTIGEEB-KRWDZBQOSA-N 2 2 344.459 1.559 20 0 EDADLP CC[NH+](CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)C1CC1 ZINC000247053705 535775847 /nfs/dbraw/zinc/77/58/47/535775847.db2.gz ZKBYBVMPTIGEEB-KRWDZBQOSA-N 2 2 344.459 1.559 20 0 EDADLP CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000352843785 535975352 /nfs/dbraw/zinc/97/53/52/535975352.db2.gz QTDKHNFJKVKSAU-YOEHRIQHSA-N 2 2 340.512 1.022 20 0 EDADLP CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000352843785 535975357 /nfs/dbraw/zinc/97/53/57/535975357.db2.gz QTDKHNFJKVKSAU-YOEHRIQHSA-N 2 2 340.512 1.022 20 0 EDADLP CCc1cncc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000345260728 536069917 /nfs/dbraw/zinc/06/99/17/536069917.db2.gz KAVCKZNHTFQYDN-OAHLLOKOSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1cncc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000345260728 536069920 /nfs/dbraw/zinc/06/99/20/536069920.db2.gz KAVCKZNHTFQYDN-OAHLLOKOSA-N 2 2 330.476 1.885 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000237287492 536461255 /nfs/dbraw/zinc/46/12/55/536461255.db2.gz ZRTBKBVWGVPEKF-IRXDYDNUSA-N 2 2 333.476 1.591 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000262856094 536560243 /nfs/dbraw/zinc/56/02/43/536560243.db2.gz KRFMXKRLTMIGPB-WMZOPIPTSA-N 2 2 349.475 1.100 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000261658592 536757532 /nfs/dbraw/zinc/75/75/32/536757532.db2.gz GCQPWFAHVMTKHH-LLVKDONJSA-N 2 2 341.839 1.383 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000261658592 536757534 /nfs/dbraw/zinc/75/75/34/536757534.db2.gz GCQPWFAHVMTKHH-LLVKDONJSA-N 2 2 341.839 1.383 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCn2cc[nH+]c2)c(OC)c1 ZINC000237317682 536778739 /nfs/dbraw/zinc/77/87/39/536778739.db2.gz GKYSVZLJWJGTBM-ZDUSSCGKSA-N 2 2 332.404 1.907 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]1c1ccccc1 ZINC000743395436 579478861 /nfs/dbraw/zinc/47/88/61/579478861.db2.gz RWFNGHVENUOLFY-GDBMZVCRSA-N 2 2 342.443 1.653 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]1c1ccccc1 ZINC000743395436 579478862 /nfs/dbraw/zinc/47/88/62/579478862.db2.gz RWFNGHVENUOLFY-GDBMZVCRSA-N 2 2 342.443 1.653 20 0 EDADLP CC(C)[C@H]1C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CCS1 ZINC000743399000 579479082 /nfs/dbraw/zinc/47/90/82/579479082.db2.gz LYNIVGMWBLCGJH-CYBMUJFWSA-N 2 2 340.493 1.034 20 0 EDADLP CC(C)[C@H]1C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CCS1 ZINC000743399000 579479083 /nfs/dbraw/zinc/47/90/83/579479083.db2.gz LYNIVGMWBLCGJH-CYBMUJFWSA-N 2 2 340.493 1.034 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000743865549 579492770 /nfs/dbraw/zinc/49/27/70/579492770.db2.gz DEIHKNQGSNTUOZ-JKSUJKDBSA-N 2 2 341.496 1.774 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000743865549 579492771 /nfs/dbraw/zinc/49/27/71/579492771.db2.gz DEIHKNQGSNTUOZ-JKSUJKDBSA-N 2 2 341.496 1.774 20 0 EDADLP NC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000725799167 578282499 /nfs/dbraw/zinc/28/24/99/578282499.db2.gz IIEUPXKMIMADGF-INIZCTEOSA-N 2 2 340.427 1.880 20 0 EDADLP NC(=O)COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000725799167 578282500 /nfs/dbraw/zinc/28/25/00/578282500.db2.gz IIEUPXKMIMADGF-INIZCTEOSA-N 2 2 340.427 1.880 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000726256798 578339449 /nfs/dbraw/zinc/33/94/49/578339449.db2.gz PKAMHNXFRBESHR-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000726256798 578339450 /nfs/dbraw/zinc/33/94/50/578339450.db2.gz PKAMHNXFRBESHR-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000726256798 578339451 /nfs/dbraw/zinc/33/94/51/578339451.db2.gz PKAMHNXFRBESHR-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000726256798 578339452 /nfs/dbraw/zinc/33/94/52/578339452.db2.gz PKAMHNXFRBESHR-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000726260844 578340659 /nfs/dbraw/zinc/34/06/59/578340659.db2.gz YTMJKQOOTJDECX-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000726260844 578340660 /nfs/dbraw/zinc/34/06/60/578340660.db2.gz YTMJKQOOTJDECX-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCOC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000726796624 578361574 /nfs/dbraw/zinc/36/15/74/578361574.db2.gz IDPVIFVGBRYCBA-ZWKOTPCHSA-N 2 2 349.475 1.690 20 0 EDADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000726796624 578361575 /nfs/dbraw/zinc/36/15/75/578361575.db2.gz IDPVIFVGBRYCBA-ZWKOTPCHSA-N 2 2 349.475 1.690 20 0 EDADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000726796624 578361576 /nfs/dbraw/zinc/36/15/76/578361576.db2.gz IDPVIFVGBRYCBA-ZWKOTPCHSA-N 2 2 349.475 1.690 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000729605801 578584326 /nfs/dbraw/zinc/58/43/26/578584326.db2.gz MIPGWNDVVNOKDP-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000729605801 578584328 /nfs/dbraw/zinc/58/43/28/578584328.db2.gz MIPGWNDVVNOKDP-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000729605801 578584330 /nfs/dbraw/zinc/58/43/30/578584330.db2.gz MIPGWNDVVNOKDP-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000729605801 578584332 /nfs/dbraw/zinc/58/43/32/578584332.db2.gz MIPGWNDVVNOKDP-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1[nH]c(-c2cccc(NC(=O)CN3CC[NH+](C)CC3)c2)[nH+]c1C ZINC000732275662 578701842 /nfs/dbraw/zinc/70/18/42/578701842.db2.gz GRIRLAVUWOSRTL-UHFFFAOYSA-N 2 2 327.432 1.879 20 0 EDADLP CCN(CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000732782338 578728219 /nfs/dbraw/zinc/72/82/19/578728219.db2.gz XITGVHSUKALJQR-QGZVFWFLSA-N 2 2 344.503 1.798 20 0 EDADLP CCN(CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000732782338 578728220 /nfs/dbraw/zinc/72/82/20/578728220.db2.gz XITGVHSUKALJQR-QGZVFWFLSA-N 2 2 344.503 1.798 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000735332471 578876990 /nfs/dbraw/zinc/87/69/90/578876990.db2.gz UBBTZDBVSQZAON-NEWSRXKRSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000735332471 578876991 /nfs/dbraw/zinc/87/69/91/578876991.db2.gz UBBTZDBVSQZAON-NEWSRXKRSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000735332471 578876992 /nfs/dbraw/zinc/87/69/92/578876992.db2.gz UBBTZDBVSQZAON-NEWSRXKRSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000735332471 578876993 /nfs/dbraw/zinc/87/69/93/578876993.db2.gz UBBTZDBVSQZAON-NEWSRXKRSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000735561401 578898880 /nfs/dbraw/zinc/89/88/80/578898880.db2.gz JUVFSGUTQUEYBZ-QWHCGFSZSA-N 2 2 343.435 1.077 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000735561401 578898881 /nfs/dbraw/zinc/89/88/81/578898881.db2.gz JUVFSGUTQUEYBZ-QWHCGFSZSA-N 2 2 343.435 1.077 20 0 EDADLP O=C1C(=O)N(C2CCCC2)C(=O)N1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738149938 579164609 /nfs/dbraw/zinc/16/46/09/579164609.db2.gz TYUZUWOAKRJAJO-CQSZACIVSA-N 2 2 345.403 1.211 20 0 EDADLP O=C1C(=O)N(C2CCCC2)C(=O)N1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738149938 579164610 /nfs/dbraw/zinc/16/46/10/579164610.db2.gz TYUZUWOAKRJAJO-CQSZACIVSA-N 2 2 345.403 1.211 20 0 EDADLP CCCCC[C@@H](O)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746255020 579582362 /nfs/dbraw/zinc/58/23/62/579582362.db2.gz WEOQRSMZPBJFRM-NVXWUHKLSA-N 2 2 325.497 1.602 20 0 EDADLP CCCCC[C@@H](O)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746255020 579582363 /nfs/dbraw/zinc/58/23/63/579582363.db2.gz WEOQRSMZPBJFRM-NVXWUHKLSA-N 2 2 325.497 1.602 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000747531071 579647849 /nfs/dbraw/zinc/64/78/49/579647849.db2.gz CQTDJNWHHYFSGL-OALUTQOASA-N 2 2 345.487 1.728 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000747531071 579647851 /nfs/dbraw/zinc/64/78/51/579647851.db2.gz CQTDJNWHHYFSGL-OALUTQOASA-N 2 2 345.487 1.728 20 0 EDADLP CCOCCCNC(=S)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000747619954 579651024 /nfs/dbraw/zinc/65/10/24/579651024.db2.gz GQRYGHSSEGOPGW-UHFFFAOYSA-N 2 2 342.553 1.436 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)CC[NH+]1CCOCC1 ZINC000750856129 579784161 /nfs/dbraw/zinc/78/41/61/579784161.db2.gz YYJMTAMXNZTROK-UHFFFAOYSA-N 2 2 330.432 1.573 20 0 EDADLP CSCCNC(=S)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000752751272 579865101 /nfs/dbraw/zinc/86/51/01/579865101.db2.gz BLYNEWPBQCLYQR-UHFFFAOYSA-N 2 2 330.567 1.372 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753677882 579884855 /nfs/dbraw/zinc/88/48/55/579884855.db2.gz WXUDNPGQDUSZAU-GJZGRUSLSA-N 2 2 333.505 1.609 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=S)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753677882 579884856 /nfs/dbraw/zinc/88/48/56/579884856.db2.gz WXUDNPGQDUSZAU-GJZGRUSLSA-N 2 2 333.505 1.609 20 0 EDADLP CC[C@]1(C(C)C)NC(=O)N(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000755789459 579935093 /nfs/dbraw/zinc/93/50/93/579935093.db2.gz NOEUZIOUAWOSPL-CXAGYDPISA-N 2 2 333.436 1.524 20 0 EDADLP CC[C@]1(C(C)C)NC(=O)N(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000755789459 579935094 /nfs/dbraw/zinc/93/50/94/579935094.db2.gz NOEUZIOUAWOSPL-CXAGYDPISA-N 2 2 333.436 1.524 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125427 579944049 /nfs/dbraw/zinc/94/40/49/579944049.db2.gz CRUPRTCAEBOULI-DDTOSNHZSA-N 2 2 326.824 1.684 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125427 579944050 /nfs/dbraw/zinc/94/40/50/579944050.db2.gz CRUPRTCAEBOULI-DDTOSNHZSA-N 2 2 326.824 1.684 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000758687325 579989468 /nfs/dbraw/zinc/98/94/68/579989468.db2.gz OZARPIGKDTXNEY-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000764772446 580128428 /nfs/dbraw/zinc/12/84/28/580128428.db2.gz SYJBYFKKHJUOJD-MRXNPFEDSA-N 2 2 341.402 1.140 20 0 EDADLP O=C1C[C@H](c2cccnc2)CN1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000765694148 580148850 /nfs/dbraw/zinc/14/88/50/580148850.db2.gz NKTFSBKLKPCFCP-DLBZAZTESA-N 2 2 325.416 1.889 20 0 EDADLP O=C1C[C@H](c2cccnc2)CN1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000765694148 580148851 /nfs/dbraw/zinc/14/88/51/580148851.db2.gz NKTFSBKLKPCFCP-DLBZAZTESA-N 2 2 325.416 1.889 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000767436772 580189750 /nfs/dbraw/zinc/18/97/50/580189750.db2.gz ZCWCGFRNKGEUHY-LSDHHAIUSA-N 2 2 329.466 1.217 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000767436772 580189751 /nfs/dbraw/zinc/18/97/51/580189751.db2.gz ZCWCGFRNKGEUHY-LSDHHAIUSA-N 2 2 329.466 1.217 20 0 EDADLP CC[C@H]1CC(=O)N(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000771175444 580281772 /nfs/dbraw/zinc/28/17/72/580281772.db2.gz PDPGTNNBFOYGFV-KRWDZBQOSA-N 2 2 336.524 1.693 20 0 EDADLP CC[C@H]1CC(=O)N(CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000771175444 580281773 /nfs/dbraw/zinc/28/17/73/580281773.db2.gz PDPGTNNBFOYGFV-KRWDZBQOSA-N 2 2 336.524 1.693 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)C1 ZINC000783991371 580610700 /nfs/dbraw/zinc/61/07/00/580610700.db2.gz FVGULQJIMWWQDX-SJORKVTESA-N 2 2 339.443 1.653 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC[C@H](Cc3ccncc3)C2)C1 ZINC000783991371 580610701 /nfs/dbraw/zinc/61/07/01/580610701.db2.gz FVGULQJIMWWQDX-SJORKVTESA-N 2 2 339.443 1.653 20 0 EDADLP CCO[C@@H]1C[C@H]([N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000783998123 580611468 /nfs/dbraw/zinc/61/14/68/580611468.db2.gz XVYCRNWOTVDESV-HYVNUMGLSA-N 2 2 346.475 1.973 20 0 EDADLP CCO[C@@H]1C[C@H]([N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000783998123 580611469 /nfs/dbraw/zinc/61/14/69/580611469.db2.gz XVYCRNWOTVDESV-HYVNUMGLSA-N 2 2 346.475 1.973 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)nn1C ZINC000785447284 580644899 /nfs/dbraw/zinc/64/48/99/580644899.db2.gz LGOCHESWXVHXCT-LLVKDONJSA-N 2 2 331.258 1.383 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)nn1C ZINC000785447284 580644900 /nfs/dbraw/zinc/64/49/00/580644900.db2.gz LGOCHESWXVHXCT-LLVKDONJSA-N 2 2 331.258 1.383 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000791258675 580787631 /nfs/dbraw/zinc/78/76/31/580787631.db2.gz KZHCADYUNPEKJA-HUUCEWRRSA-N 2 2 329.379 1.526 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[NH+]1CCCCC1 ZINC000793701346 580852361 /nfs/dbraw/zinc/85/23/61/580852361.db2.gz PQIGDOGJSSLIFT-CABCVRRESA-N 2 2 347.463 1.106 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)C2=O)cc1 ZINC000793702866 580852503 /nfs/dbraw/zinc/85/25/03/580852503.db2.gz YNBLFRRIDRROEI-VQIMIIECSA-N 2 2 327.428 1.655 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)C2=O)cc1 ZINC000793702866 580852504 /nfs/dbraw/zinc/85/25/04/580852504.db2.gz YNBLFRRIDRROEI-VQIMIIECSA-N 2 2 327.428 1.655 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2=O)cc1 ZINC000793702866 580852505 /nfs/dbraw/zinc/85/25/05/580852505.db2.gz YNBLFRRIDRROEI-VQIMIIECSA-N 2 2 327.428 1.655 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2=O)cc1 ZINC000793702866 580852506 /nfs/dbraw/zinc/85/25/06/580852506.db2.gz YNBLFRRIDRROEI-VQIMIIECSA-N 2 2 327.428 1.655 20 0 EDADLP COc1ccccc1O[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000796565856 580956630 /nfs/dbraw/zinc/95/66/30/580956630.db2.gz LNQZKWXQMFABGC-IRXDYDNUSA-N 2 2 334.460 1.995 20 0 EDADLP COc1ccccc1O[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000796565856 580956631 /nfs/dbraw/zinc/95/66/31/580956631.db2.gz LNQZKWXQMFABGC-IRXDYDNUSA-N 2 2 334.460 1.995 20 0 EDADLP Cc1ccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c(N(C)C)[nH+]1 ZINC000799407291 581027522 /nfs/dbraw/zinc/02/75/22/581027522.db2.gz VMPKNNRHOZRLDC-UHFFFAOYSA-N 2 2 348.495 1.604 20 0 EDADLP Cc1ccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(N(C)C)[nH+]1 ZINC000799407291 581027523 /nfs/dbraw/zinc/02/75/23/581027523.db2.gz VMPKNNRHOZRLDC-UHFFFAOYSA-N 2 2 348.495 1.604 20 0 EDADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)NCCF ZINC000800499447 581054075 /nfs/dbraw/zinc/05/40/75/581054075.db2.gz XYZNBQJCUSIJAU-AWEZNQCLSA-N 2 2 336.455 1.785 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000891858197 590659240 /nfs/dbraw/zinc/65/92/40/590659240.db2.gz MEINLYWTRQAODG-KRWDZBQOSA-N 2 2 338.496 1.258 20 0 EDADLP Cc1ccc([C@H](CNc2cc[nH+]cc2CO)[NH+]2CCOCC2)cc1 ZINC000891912380 590684815 /nfs/dbraw/zinc/68/48/15/590684815.db2.gz CEPMLZOICAYLHY-IBGZPJMESA-N 2 2 327.428 1.790 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c2[nH+]ccn21 ZINC000891939739 590697259 /nfs/dbraw/zinc/69/72/59/590697259.db2.gz NLZQHNHUQVPZKZ-MGPQQGTHSA-N 2 2 333.436 1.347 20 0 EDADLP C[NH+]1CCC2(CCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000891990544 590731010 /nfs/dbraw/zinc/73/10/10/590731010.db2.gz WCHOLTPEVLJDOS-UHFFFAOYSA-N 2 2 331.464 1.642 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000892056480 590775926 /nfs/dbraw/zinc/77/59/26/590775926.db2.gz SMBIWMBMOAPPFJ-RDJZCZTQSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000892056480 590775929 /nfs/dbraw/zinc/77/59/29/590775929.db2.gz SMBIWMBMOAPPFJ-RDJZCZTQSA-N 2 2 334.464 1.232 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[NH2+]1 ZINC000892095974 590795803 /nfs/dbraw/zinc/79/58/03/590795803.db2.gz HDTCIDHSTUNXDW-ZFWWWQNUSA-N 2 2 349.504 1.575 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892384131 591004476 /nfs/dbraw/zinc/00/44/76/591004476.db2.gz OZKKYISETVZWLJ-OWCLPIDISA-N 2 2 338.496 1.269 20 0 EDADLP [NH3+][C@H](CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000892408594 591015676 /nfs/dbraw/zinc/01/56/76/591015676.db2.gz RXKIAFDHQNGODQ-KURKYZTESA-N 2 2 346.475 1.109 20 0 EDADLP [NH3+][C@H](CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000892408594 591015682 /nfs/dbraw/zinc/01/56/82/591015682.db2.gz RXKIAFDHQNGODQ-KURKYZTESA-N 2 2 346.475 1.109 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC2)cc[nH+]1 ZINC000892491569 591048007 /nfs/dbraw/zinc/04/80/07/591048007.db2.gz LANBUPZMXVLFEI-HNNXBMFYSA-N 2 2 346.479 1.395 20 0 EDADLP [NH3+][C@@H]1CCCCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000891344653 591051674 /nfs/dbraw/zinc/05/16/74/591051674.db2.gz LLNFZWFNRIHNHM-OAHLLOKOSA-N 2 2 328.420 1.680 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891350650 591055203 /nfs/dbraw/zinc/05/52/03/591055203.db2.gz ULHUWKIOSUVUFN-HOTGVXAUSA-N 2 2 338.496 1.319 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c1C ZINC000891460338 591079345 /nfs/dbraw/zinc/07/93/45/591079345.db2.gz HGYSZBNJHWSVCI-LBPRGKRZSA-N 2 2 342.390 1.751 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892591441 591084058 /nfs/dbraw/zinc/08/40/58/591084058.db2.gz VZIPVIQBDIPZSA-UUAJXVIYSA-N 2 2 336.480 1.022 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000892610486 591095300 /nfs/dbraw/zinc/09/53/00/591095300.db2.gz BYCIYALOQQILRV-QZTJIDSGSA-N 2 2 346.475 1.199 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000892610486 591095305 /nfs/dbraw/zinc/09/53/05/591095305.db2.gz BYCIYALOQQILRV-QZTJIDSGSA-N 2 2 346.475 1.199 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894000192 591164643 /nfs/dbraw/zinc/16/46/43/591164643.db2.gz XAIRBGJZXWTKLG-UHFFFAOYSA-N 2 2 343.431 1.009 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894084923 591183992 /nfs/dbraw/zinc/18/39/92/591183992.db2.gz PTKNFWILXSDLSA-INIZCTEOSA-N 2 2 343.431 1.007 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894084923 591183995 /nfs/dbraw/zinc/18/39/95/591183995.db2.gz PTKNFWILXSDLSA-INIZCTEOSA-N 2 2 343.431 1.007 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc3oc(=O)oc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894075574 591187215 /nfs/dbraw/zinc/18/72/15/591187215.db2.gz FTAQKVNYTYFGFA-GDBMZVCRSA-N 2 2 345.443 1.844 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc3oc(=O)oc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894075574 591187217 /nfs/dbraw/zinc/18/72/17/591187217.db2.gz FTAQKVNYTYFGFA-GDBMZVCRSA-N 2 2 345.443 1.844 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000894133896 591204614 /nfs/dbraw/zinc/20/46/14/591204614.db2.gz FRHIQFVUJXHYPV-RYQLBKOJSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000894133896 591204616 /nfs/dbraw/zinc/20/46/16/591204616.db2.gz FRHIQFVUJXHYPV-RYQLBKOJSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H](O)c1cccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891752753 591211190 /nfs/dbraw/zinc/21/11/90/591211190.db2.gz OHVHYTTUGTWOBO-WMLDXEAASA-N 2 2 327.428 1.966 20 0 EDADLP C[C@H](O)c1cccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891752753 591211192 /nfs/dbraw/zinc/21/11/92/591211192.db2.gz OHVHYTTUGTWOBO-WMLDXEAASA-N 2 2 327.428 1.966 20 0 EDADLP COC(=O)c1cnc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)s1 ZINC000894199043 591224836 /nfs/dbraw/zinc/22/48/36/591224836.db2.gz FBIAHNACTQNYSS-UHFFFAOYSA-N 2 2 347.444 1.689 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)n1 ZINC000895845852 591282334 /nfs/dbraw/zinc/28/23/34/591282334.db2.gz QWWLKGMBKMJYBF-CQSZACIVSA-N 2 2 338.477 1.644 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898504268 591390926 /nfs/dbraw/zinc/39/09/26/591390926.db2.gz PKMKZYCNQGQYEX-RYUDHWBXSA-N 2 2 336.333 1.927 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898504268 591390929 /nfs/dbraw/zinc/39/09/29/591390929.db2.gz PKMKZYCNQGQYEX-RYUDHWBXSA-N 2 2 336.333 1.927 20 0 EDADLP CC1(C)CC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000898598567 591430890 /nfs/dbraw/zinc/43/08/90/591430890.db2.gz WUARZBRNCXHRDS-UHFFFAOYSA-N 2 2 334.464 1.839 20 0 EDADLP CC1(C)CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000898598567 591430893 /nfs/dbraw/zinc/43/08/93/591430893.db2.gz WUARZBRNCXHRDS-UHFFFAOYSA-N 2 2 334.464 1.839 20 0 EDADLP Cc1[nH+]cc(CNc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)n1C ZINC000894918703 591474496 /nfs/dbraw/zinc/47/44/96/591474496.db2.gz MZTXNAHNYQDNKB-UHFFFAOYSA-N 2 2 329.404 1.524 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000897474210 591477375 /nfs/dbraw/zinc/47/73/75/591477375.db2.gz NPWDXCHFGXQRQO-INIZCTEOSA-N 2 2 331.464 1.393 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000897474210 591477378 /nfs/dbraw/zinc/47/73/78/591477378.db2.gz NPWDXCHFGXQRQO-INIZCTEOSA-N 2 2 331.464 1.393 20 0 EDADLP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896541884 591506235 /nfs/dbraw/zinc/50/62/35/591506235.db2.gz JCUVUSCTCUKIOV-VQIMIIECSA-N 2 2 344.503 1.647 20 0 EDADLP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896541884 591506238 /nfs/dbraw/zinc/50/62/38/591506238.db2.gz JCUVUSCTCUKIOV-VQIMIIECSA-N 2 2 344.503 1.647 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3nc(N)cc(C)[nH+]3)C2)cc1 ZINC000895017604 591525642 /nfs/dbraw/zinc/52/56/42/591525642.db2.gz GMFVVOSAEYIPEL-INIZCTEOSA-N 2 2 327.432 1.989 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897566316 591559126 /nfs/dbraw/zinc/55/91/26/591559126.db2.gz LMURZBVVMQKOHQ-MRXNPFEDSA-N 2 2 334.464 1.405 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[nH]n1 ZINC000897577492 591564889 /nfs/dbraw/zinc/56/48/89/591564889.db2.gz XLVXWXOMZYIHPF-YOEHRIQHSA-N 2 2 331.464 1.923 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[nH]n1 ZINC000897577492 591564893 /nfs/dbraw/zinc/56/48/93/591564893.db2.gz XLVXWXOMZYIHPF-YOEHRIQHSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[nH]n1 ZINC000897577492 591564899 /nfs/dbraw/zinc/56/48/99/591564899.db2.gz XLVXWXOMZYIHPF-YOEHRIQHSA-N 2 2 331.464 1.923 20 0 EDADLP CC(C)[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898901328 591586587 /nfs/dbraw/zinc/58/65/87/591586587.db2.gz HFWGLDFWROQMJH-XHSDSOJGSA-N 2 2 336.480 1.868 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000899025054 591639705 /nfs/dbraw/zinc/63/97/05/591639705.db2.gz ZONZVDKFWVBZED-SFHVURJKSA-N 2 2 340.427 1.584 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000899025054 591639708 /nfs/dbraw/zinc/63/97/08/591639708.db2.gz ZONZVDKFWVBZED-SFHVURJKSA-N 2 2 340.427 1.584 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1N=NC(=O)N1C ZINC000895177020 591641970 /nfs/dbraw/zinc/64/19/70/591641970.db2.gz PWRJMFDNPTVISG-CQSZACIVSA-N 2 2 329.448 1.878 20 0 EDADLP CCO[C@@H](C[NH2+]Cc1ncc(Br)cc1O)C[NH+](C)C ZINC000896875865 591642085 /nfs/dbraw/zinc/64/20/85/591642085.db2.gz AHDKTXOIUHLZFU-NSHDSACASA-N 2 2 332.242 1.606 20 0 EDADLP CC(C)C[C@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)n1cc[nH+]c1 ZINC000899063409 591668148 /nfs/dbraw/zinc/66/81/48/591668148.db2.gz CZSQJMHQFFLAMC-OAHLLOKOSA-N 2 2 336.436 1.035 20 0 EDADLP CC(C)C[C@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)n1cc[nH+]c1 ZINC000899063409 591668152 /nfs/dbraw/zinc/66/81/52/591668152.db2.gz CZSQJMHQFFLAMC-OAHLLOKOSA-N 2 2 336.436 1.035 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)nc[nH+]1 ZINC000895243704 591676736 /nfs/dbraw/zinc/67/67/36/591676736.db2.gz JJDKQDYXFMCMJV-HUUCEWRRSA-N 2 2 342.447 1.770 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCN(c3cc[nH+]cc3)C[C@H]2C)[nH+]cn1 ZINC000895243704 591676739 /nfs/dbraw/zinc/67/67/39/591676739.db2.gz JJDKQDYXFMCMJV-HUUCEWRRSA-N 2 2 342.447 1.770 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)nc[nH+]2)C1 ZINC000896912672 591677131 /nfs/dbraw/zinc/67/71/31/591677131.db2.gz CKQFGWPRPCCWSX-YRBFXIGRSA-N 2 2 331.464 1.072 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)nc[nH+]2)C1 ZINC000896912672 591677134 /nfs/dbraw/zinc/67/71/34/591677134.db2.gz CKQFGWPRPCCWSX-YRBFXIGRSA-N 2 2 331.464 1.072 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)[nH+]cn2)C1 ZINC000896912672 591677137 /nfs/dbraw/zinc/67/71/37/591677137.db2.gz CKQFGWPRPCCWSX-YRBFXIGRSA-N 2 2 331.464 1.072 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)[nH+]cn2)C1 ZINC000896912672 591677138 /nfs/dbraw/zinc/67/71/38/591677138.db2.gz CKQFGWPRPCCWSX-YRBFXIGRSA-N 2 2 331.464 1.072 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000899160616 591707118 /nfs/dbraw/zinc/70/71/18/591707118.db2.gz RKRPVOXFUQITRL-VQIMIIECSA-N 2 2 343.471 1.613 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+]([C@@H]3CCC4(C[C@@H]3F)OCCO4)CC2)C1 ZINC000895455989 591763599 /nfs/dbraw/zinc/76/35/99/591763599.db2.gz GDOSLVRCBIZOTM-OWCLPIDISA-N 2 2 328.428 1.151 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+]([C@@H]3CCC4(C[C@@H]3F)OCCO4)CC2)C1 ZINC000895455989 591763602 /nfs/dbraw/zinc/76/36/02/591763602.db2.gz GDOSLVRCBIZOTM-OWCLPIDISA-N 2 2 328.428 1.151 20 0 EDADLP COCCOC[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000895467314 591768068 /nfs/dbraw/zinc/76/80/68/591768068.db2.gz LPGGTRIXWGPMOS-MJGOQNOKSA-N 2 2 335.492 1.444 20 0 EDADLP COCCOC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000895467314 591768071 /nfs/dbraw/zinc/76/80/71/591768071.db2.gz LPGGTRIXWGPMOS-MJGOQNOKSA-N 2 2 335.492 1.444 20 0 EDADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000895484193 591778655 /nfs/dbraw/zinc/77/86/55/591778655.db2.gz ZLCDZGSYCSVGOD-HNNXBMFYSA-N 2 2 335.473 1.113 20 0 EDADLP COc1ccc(C2=NO[C@H](C[NH2+]Cc3c[nH+]c(N(C)C)n3C)C2)cc1 ZINC000895496489 591781331 /nfs/dbraw/zinc/78/13/31/591781331.db2.gz SOHTWWUBSVJOCA-INIZCTEOSA-N 2 2 343.431 1.778 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3cn[nH]n3)CC2)CC1 ZINC000898147104 591802254 /nfs/dbraw/zinc/80/22/54/591802254.db2.gz PVIFRDWUDCSTPZ-UHFFFAOYSA-N 2 2 348.495 1.352 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3c[nH]nn3)CC2)CC1 ZINC000898147104 591802258 /nfs/dbraw/zinc/80/22/58/591802258.db2.gz PVIFRDWUDCSTPZ-UHFFFAOYSA-N 2 2 348.495 1.352 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000899976613 591854083 /nfs/dbraw/zinc/85/40/83/591854083.db2.gz CEYFLMKEUWBKCJ-UHFFFAOYSA-N 2 2 347.488 1.464 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900120709 591906625 /nfs/dbraw/zinc/90/66/25/591906625.db2.gz FODOGFUECSQOQL-HOTGVXAUSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900120709 591906628 /nfs/dbraw/zinc/90/66/28/591906628.db2.gz FODOGFUECSQOQL-HOTGVXAUSA-N 2 2 325.416 1.900 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000900173965 591938327 /nfs/dbraw/zinc/93/83/27/591938327.db2.gz FKIDYVBLVPAXME-MRXNPFEDSA-N 2 2 347.459 1.962 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000900173965 591938329 /nfs/dbraw/zinc/93/83/29/591938329.db2.gz FKIDYVBLVPAXME-MRXNPFEDSA-N 2 2 347.459 1.962 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902171802 591938753 /nfs/dbraw/zinc/93/87/53/591938753.db2.gz CLFKIUCMUZUFKS-YESZJQIVSA-N 2 2 332.448 1.641 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902171802 591938755 /nfs/dbraw/zinc/93/87/55/591938755.db2.gz CLFKIUCMUZUFKS-YESZJQIVSA-N 2 2 332.448 1.641 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@]3(CCCOC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000902370660 591982170 /nfs/dbraw/zinc/98/21/70/591982170.db2.gz MLTPKGHKIGKCKI-QAPCUYQASA-N 2 2 330.432 1.189 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@]3(CCCOC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000902370660 591982172 /nfs/dbraw/zinc/98/21/72/591982172.db2.gz MLTPKGHKIGKCKI-QAPCUYQASA-N 2 2 330.432 1.189 20 0 EDADLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)C1([NH3+])CC1 ZINC000902384249 591989168 /nfs/dbraw/zinc/98/91/68/591989168.db2.gz POFPAPCQXGYWQJ-SECBINFHSA-N 2 2 335.832 1.227 20 0 EDADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000902417202 591991778 /nfs/dbraw/zinc/99/17/78/591991778.db2.gz XVDTYZYYIISXPL-CYBMUJFWSA-N 2 2 349.456 1.900 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000900370514 591999271 /nfs/dbraw/zinc/99/92/71/591999271.db2.gz GVFUGYOHWOWBMN-SUMWQHHRSA-N 2 2 332.379 1.083 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000900370514 591999274 /nfs/dbraw/zinc/99/92/74/591999274.db2.gz GVFUGYOHWOWBMN-SUMWQHHRSA-N 2 2 332.379 1.083 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)[C@@H]1CCCC[NH2+]1 ZINC000902513758 592002819 /nfs/dbraw/zinc/00/28/19/592002819.db2.gz IADDGIKJONAMFK-BBRMVZONSA-N 2 2 325.478 1.703 20 0 EDADLP O=S(=O)(Nc1cccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1)C1CC1 ZINC000902513086 592004958 /nfs/dbraw/zinc/00/49/58/592004958.db2.gz DSBAPVRGCMXWGF-KISNFGTJSA-N 2 2 347.484 1.677 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]ccn2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900406350 592009905 /nfs/dbraw/zinc/00/99/05/592009905.db2.gz HJSNEPIVVSJYMP-PCKAHOCUSA-N 2 2 332.448 1.205 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000900562279 592052863 /nfs/dbraw/zinc/05/28/63/592052863.db2.gz MHLZBVFSVPCAKX-HZPDHXFCSA-N 2 2 348.447 1.322 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000900562279 592052866 /nfs/dbraw/zinc/05/28/66/592052866.db2.gz MHLZBVFSVPCAKX-HZPDHXFCSA-N 2 2 348.447 1.322 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H](O)c3ccccc3F)nn2)CC1 ZINC000900583209 592058858 /nfs/dbraw/zinc/05/88/58/592058858.db2.gz RNDIHFLTEAOBKH-QGZVFWFLSA-N 2 2 333.411 1.335 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000900813765 592134746 /nfs/dbraw/zinc/13/47/46/592134746.db2.gz HCSDKUSVRAIBGZ-KDOFPFPSSA-N 2 2 328.416 1.218 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000900813765 592134749 /nfs/dbraw/zinc/13/47/49/592134749.db2.gz HCSDKUSVRAIBGZ-KDOFPFPSSA-N 2 2 328.416 1.218 20 0 EDADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507033 592198934 /nfs/dbraw/zinc/19/89/34/592198934.db2.gz KROWQXPHOWIBBB-NXHRZFHOSA-N 2 2 334.508 1.288 20 0 EDADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507033 592198935 /nfs/dbraw/zinc/19/89/35/592198935.db2.gz KROWQXPHOWIBBB-NXHRZFHOSA-N 2 2 334.508 1.288 20 0 EDADLP CCCc1ccccc1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903563918 592211015 /nfs/dbraw/zinc/21/10/15/592211015.db2.gz MGRYABJKUAVNDW-UHFFFAOYSA-N 2 2 325.478 1.341 20 0 EDADLP C[C@]1(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CCC[NH2+]C1 ZINC000904388350 592241904 /nfs/dbraw/zinc/24/19/04/592241904.db2.gz HOWJFYBXZDCWLS-SFHVURJKSA-N 2 2 329.448 1.780 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)CNc3cccc[nH+]3)CC2)CC1 ZINC000901145619 592259509 /nfs/dbraw/zinc/25/95/09/592259509.db2.gz KEFWSHHMNFPLJY-UHFFFAOYSA-N 2 2 345.491 1.511 20 0 EDADLP COCc1nc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)cs1 ZINC000904453718 592265009 /nfs/dbraw/zinc/26/50/09/592265009.db2.gz QOZMPQKHVXSULO-AWEZNQCLSA-N 2 2 334.445 1.715 20 0 EDADLP COCCN(C)c1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cn1 ZINC000904459817 592266053 /nfs/dbraw/zinc/26/60/53/592266053.db2.gz XMTUOHLUCWKDJM-IEBWSBKVSA-N 2 2 326.444 1.879 20 0 EDADLP [NH3+]C[C@H]1C[C@@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CO1 ZINC000904558518 592279125 /nfs/dbraw/zinc/27/91/25/592279125.db2.gz PYKLABXAXKUCEI-HUUCEWRRSA-N 2 2 325.372 1.813 20 0 EDADLP O=C(c1cccc(F)c1)N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725046 592284942 /nfs/dbraw/zinc/28/49/42/592284942.db2.gz VLZGWMPQYPIPNH-IEBWSBKVSA-N 2 2 347.434 1.352 20 0 EDADLP Cc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903726735 592284964 /nfs/dbraw/zinc/28/49/64/592284964.db2.gz NWZQWQBJQBSTMD-GOSISDBHSA-N 2 2 345.487 1.908 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903746331 592293169 /nfs/dbraw/zinc/29/31/69/592293169.db2.gz XVKFMIDKMCSXOB-RDBSUJKOSA-N 2 2 349.397 1.383 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903746331 592293173 /nfs/dbraw/zinc/29/31/73/592293173.db2.gz XVKFMIDKMCSXOB-RDBSUJKOSA-N 2 2 349.397 1.383 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[N@H+](C)C2CCC2)cn1 ZINC000908066749 592302619 /nfs/dbraw/zinc/30/26/19/592302619.db2.gz HJOCKGQDTNYDIF-UHFFFAOYSA-N 2 2 330.436 1.130 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[N@@H+](C)C2CCC2)cn1 ZINC000908066749 592302623 /nfs/dbraw/zinc/30/26/23/592302623.db2.gz HJOCKGQDTNYDIF-UHFFFAOYSA-N 2 2 330.436 1.130 20 0 EDADLP CSCC[C@H]([NH3+])Cc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000904644718 592303069 /nfs/dbraw/zinc/30/30/69/592303069.db2.gz QVRUICPWHVXAMT-RWMBFGLXSA-N 2 2 326.466 1.618 20 0 EDADLP CSCC[C@H]([NH3+])Cc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000904644718 592303075 /nfs/dbraw/zinc/30/30/75/592303075.db2.gz QVRUICPWHVXAMT-RWMBFGLXSA-N 2 2 326.466 1.618 20 0 EDADLP CCn1cc([C@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cn1 ZINC000903759499 592306956 /nfs/dbraw/zinc/30/69/56/592306956.db2.gz QOIQJGRSQXIEIP-IAGOWNOFSA-N 2 2 334.464 1.435 20 0 EDADLP CCn1cc([C@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cn1 ZINC000903759499 592306960 /nfs/dbraw/zinc/30/69/60/592306960.db2.gz QOIQJGRSQXIEIP-IAGOWNOFSA-N 2 2 334.464 1.435 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000901271469 592319908 /nfs/dbraw/zinc/31/99/08/592319908.db2.gz JIUVNAKPSYKTPM-CVEARBPZSA-N 2 2 335.398 1.922 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000901271469 592319913 /nfs/dbraw/zinc/31/99/13/592319913.db2.gz JIUVNAKPSYKTPM-CVEARBPZSA-N 2 2 335.398 1.922 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CN(C[C@H]2CCC[C@H](C(F)(F)F)O2)C[C@H]1[NH3+] ZINC000903781702 592321496 /nfs/dbraw/zinc/32/14/96/592321496.db2.gz UYCBDNUPCNBXBY-HKUMRIAESA-N 2 2 332.370 1.647 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000903797661 592326239 /nfs/dbraw/zinc/32/62/39/592326239.db2.gz JBEAZFUHXDNCCG-ACJLOTCBSA-N 2 2 331.416 1.947 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000903797661 592326245 /nfs/dbraw/zinc/32/62/45/592326245.db2.gz JBEAZFUHXDNCCG-ACJLOTCBSA-N 2 2 331.416 1.947 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)C1 ZINC000908120396 592333284 /nfs/dbraw/zinc/33/32/84/592333284.db2.gz UOFRAHMZNKZGKR-JKSUJKDBSA-N 2 2 348.491 1.279 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)C1 ZINC000908120396 592333290 /nfs/dbraw/zinc/33/32/90/592333290.db2.gz UOFRAHMZNKZGKR-JKSUJKDBSA-N 2 2 348.491 1.279 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000906791317 592344975 /nfs/dbraw/zinc/34/49/75/592344975.db2.gz KQCFECRSWJHCFU-SJORKVTESA-N 2 2 348.491 1.375 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000906791317 592344977 /nfs/dbraw/zinc/34/49/77/592344977.db2.gz KQCFECRSWJHCFU-SJORKVTESA-N 2 2 348.491 1.375 20 0 EDADLP O=C(CN1CCC[C@@]12CC[NH2+]C2)N1CC[NH+](Cc2cccs2)CC1 ZINC000903865243 592350346 /nfs/dbraw/zinc/35/03/46/592350346.db2.gz BNCPCBVHTHSJLO-SFHVURJKSA-N 2 2 348.516 1.220 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(C[C@H]([NH3+])CC(F)F)CC2)C1 ZINC000903890875 592352152 /nfs/dbraw/zinc/35/21/52/592352152.db2.gz HEPVQFZTJCLHLR-RBSFLKMASA-N 2 2 346.466 1.281 20 0 EDADLP Fc1ccc(N2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000903873620 592356068 /nfs/dbraw/zinc/35/60/68/592356068.db2.gz VQLPBLCDLOKHJS-QGZVFWFLSA-N 2 2 344.438 1.664 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@@H]([NH3+])CC(F)F)CC2)C1 ZINC000903878477 592359329 /nfs/dbraw/zinc/35/93/29/592359329.db2.gz VPBZBIGZDYWJDZ-ZNMIVQPWSA-N 2 2 346.466 1.091 20 0 EDADLP C/C(=C\C(=O)N(C)CCC[N@H+](C)Cc1ccco1)C[NH+]1CCOCC1 ZINC000908183675 592364953 /nfs/dbraw/zinc/36/49/53/592364953.db2.gz SOHGJJHXTAMYTQ-SAPNQHFASA-N 2 2 349.475 1.838 20 0 EDADLP C/C(=C\C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)C[NH+]1CCOCC1 ZINC000908183675 592364960 /nfs/dbraw/zinc/36/49/60/592364960.db2.gz SOHGJJHXTAMYTQ-SAPNQHFASA-N 2 2 349.475 1.838 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903898492 592369824 /nfs/dbraw/zinc/36/98/24/592369824.db2.gz NWRKTOIGPKWKPN-XJKSGUPXSA-N 2 2 329.452 1.446 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903898492 592369826 /nfs/dbraw/zinc/36/98/26/592369826.db2.gz NWRKTOIGPKWKPN-XJKSGUPXSA-N 2 2 329.452 1.446 20 0 EDADLP O[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)C[C@H](O)c1ccccc1 ZINC000905029424 592386775 /nfs/dbraw/zinc/38/67/75/592386775.db2.gz BOVFDAXZEAOJRY-ROUUACIJSA-N 2 2 325.412 1.951 20 0 EDADLP [NH3+]C1CCN(Cc2cn(Cc3cn4cc(Cl)ccc4[nH+]3)nn2)CC1 ZINC000905056574 592395050 /nfs/dbraw/zinc/39/50/50/592395050.db2.gz DDOSUDMPYFIRQO-UHFFFAOYSA-N 2 2 345.838 1.551 20 0 EDADLP Cn1nc(Br)cc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969662 592395736 /nfs/dbraw/zinc/39/57/36/592395736.db2.gz IMIRBPJBWVMUQM-LLVKDONJSA-N 2 2 343.269 1.431 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971301 592396494 /nfs/dbraw/zinc/39/64/94/592396494.db2.gz ABKNZIXMBYTTPZ-HNNXBMFYSA-N 2 2 349.523 1.858 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)CNc1cccc[nH+]1 ZINC000908236023 592397769 /nfs/dbraw/zinc/39/77/69/592397769.db2.gz DXGKAISIZVXXOU-UHFFFAOYSA-N 2 2 327.432 1.869 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)CNc1cccc[nH+]1 ZINC000908236023 592397775 /nfs/dbraw/zinc/39/77/75/592397775.db2.gz DXGKAISIZVXXOU-UHFFFAOYSA-N 2 2 327.432 1.869 20 0 EDADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908251617 592407244 /nfs/dbraw/zinc/40/72/44/592407244.db2.gz IIINPAQDDFPVGN-QAPCUYQASA-N 2 2 334.464 1.803 20 0 EDADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908251617 592407248 /nfs/dbraw/zinc/40/72/48/592407248.db2.gz IIINPAQDDFPVGN-QAPCUYQASA-N 2 2 334.464 1.803 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)n1C ZINC000905109914 592410754 /nfs/dbraw/zinc/41/07/54/592410754.db2.gz KHKVHPIEFNHUMZ-IRXDYDNUSA-N 2 2 332.448 1.450 20 0 EDADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)C1(O)CCOCC1)c1ccccc1 ZINC000905095233 592420023 /nfs/dbraw/zinc/42/00/23/592420023.db2.gz CIWMZDIQMOUHBE-RDJZCZTQSA-N 2 2 336.476 1.608 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000908374440 592472087 /nfs/dbraw/zinc/47/20/87/592472087.db2.gz ZHAXLWWWOAGXRL-KRWDZBQOSA-N 2 2 348.472 1.548 20 0 EDADLP O[C@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000905245386 592475357 /nfs/dbraw/zinc/47/53/57/592475357.db2.gz CVKWVISDYFZRMO-HKUYNNGSSA-N 2 2 340.508 1.525 20 0 EDADLP CCC[NH+]1CCC(NC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000905316082 592495895 /nfs/dbraw/zinc/49/58/95/592495895.db2.gz ODCZPZIDNMYKSP-UHFFFAOYSA-N 2 2 348.491 1.425 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CC2(O)CCOCC2)CCOCC1 ZINC000905575727 592571479 /nfs/dbraw/zinc/57/14/79/592571479.db2.gz KQDLQHMDGRWHNT-UHFFFAOYSA-N 2 2 348.487 1.799 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CC2(O)CCOCC2)CCOCC1 ZINC000905575727 592571481 /nfs/dbraw/zinc/57/14/81/592571481.db2.gz KQDLQHMDGRWHNT-UHFFFAOYSA-N 2 2 348.487 1.799 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=S)NCC2CC[NH+](C)CC2)n1 ZINC000905619048 592596123 /nfs/dbraw/zinc/59/61/23/592596123.db2.gz HCSGCFDILNIRGP-UHFFFAOYSA-N 2 2 341.550 1.511 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3C[NH2+]CCC3(F)F)[nH+]cn2)C1 ZINC000905675176 592608359 /nfs/dbraw/zinc/60/83/59/592608359.db2.gz BAEKYUXXVLAHKV-XQQFMLRXSA-N 2 2 341.406 1.340 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3C[NH2+]CCC3(F)F)nc[nH+]2)C1 ZINC000905675176 592608360 /nfs/dbraw/zinc/60/83/60/592608360.db2.gz BAEKYUXXVLAHKV-XQQFMLRXSA-N 2 2 341.406 1.340 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C[C@]1(O)CCOC1 ZINC000905878694 592678117 /nfs/dbraw/zinc/67/81/17/592678117.db2.gz YIXQPZGNNMWEFW-GBESFXJTSA-N 2 2 334.460 1.316 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C[C@@]1(O)CCOC1 ZINC000905919133 592682667 /nfs/dbraw/zinc/68/26/67/592682667.db2.gz MCCYWAWFJAOYMG-PBHICJAKSA-N 2 2 335.379 1.003 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)C1 ZINC000905936521 592689027 /nfs/dbraw/zinc/68/90/27/592689027.db2.gz DCUGLHNUBKDFQQ-QRVBRYPASA-N 2 2 336.476 1.417 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)C1 ZINC000905936521 592689030 /nfs/dbraw/zinc/68/90/30/592689030.db2.gz DCUGLHNUBKDFQQ-QRVBRYPASA-N 2 2 336.476 1.417 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000907575936 592717760 /nfs/dbraw/zinc/71/77/60/592717760.db2.gz FMTOTHGJACFMLE-SQNIBIBYSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000907575936 592717762 /nfs/dbraw/zinc/71/77/62/592717762.db2.gz FMTOTHGJACFMLE-SQNIBIBYSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000907575936 592717763 /nfs/dbraw/zinc/71/77/63/592717763.db2.gz FMTOTHGJACFMLE-SQNIBIBYSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000907575936 592717765 /nfs/dbraw/zinc/71/77/65/592717765.db2.gz FMTOTHGJACFMLE-SQNIBIBYSA-N 2 2 335.492 1.573 20 0 EDADLP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@H]1c1c[nH+]cn1C ZINC000910841485 592895814 /nfs/dbraw/zinc/89/58/14/592895814.db2.gz KYTXGUFQJQSHKN-HNNXBMFYSA-N 2 2 347.463 1.028 20 0 EDADLP Cc1cccc([C@H](C)NC(=O)C(=O)NCC[NH+]2CCC([NH3+])CC2)c1C ZINC000911099696 592923318 /nfs/dbraw/zinc/92/33/18/592923318.db2.gz DEQRDTHIHLNCNP-HNNXBMFYSA-N 2 2 346.475 1.020 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911530097 592935258 /nfs/dbraw/zinc/93/52/58/592935258.db2.gz WWGPCYFERHUSOG-ZIAGYGMSSA-N 2 2 347.463 1.071 20 0 EDADLP C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000911635204 592971699 /nfs/dbraw/zinc/97/16/99/592971699.db2.gz QEHMGNIVVMZPHO-NEPJUHHUSA-N 2 2 332.370 1.914 20 0 EDADLP CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2C1 ZINC000911877649 593029318 /nfs/dbraw/zinc/02/93/18/593029318.db2.gz AVWSSALKASTKOQ-OCCSQVGLSA-N 2 2 332.448 1.017 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccc(N3CCCCCC3)cc2)[C@H](C[NH3+])C1 ZINC000911878976 593029711 /nfs/dbraw/zinc/02/97/11/593029711.db2.gz ISDMGVJCUWHQQQ-GOSISDBHSA-N 2 2 330.476 1.782 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccc(N3CCCCCC3)cc2)[C@H](C[NH3+])C1 ZINC000911878976 593029713 /nfs/dbraw/zinc/02/97/13/593029713.db2.gz ISDMGVJCUWHQQQ-GOSISDBHSA-N 2 2 330.476 1.782 20 0 EDADLP Cc1cc(C)nc(Sc2ccc(NC(=O)C[NH2+]CC[NH3+])cc2)n1 ZINC000912186137 593069831 /nfs/dbraw/zinc/06/98/31/593069831.db2.gz NNZFONJENBWUHB-UHFFFAOYSA-N 2 2 331.445 1.731 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000912284396 593082686 /nfs/dbraw/zinc/08/26/86/593082686.db2.gz REZYRBBQOGQQJU-LSDHHAIUSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000912284396 593082687 /nfs/dbraw/zinc/08/26/87/593082687.db2.gz REZYRBBQOGQQJU-LSDHHAIUSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000912284396 593082688 /nfs/dbraw/zinc/08/26/88/593082688.db2.gz REZYRBBQOGQQJU-LSDHHAIUSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000912284396 593082689 /nfs/dbraw/zinc/08/26/89/593082689.db2.gz REZYRBBQOGQQJU-LSDHHAIUSA-N 2 2 339.480 1.251 20 0 EDADLP CC[C@@H]1CC[N@@H+]1CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840078398 593124356 /nfs/dbraw/zinc/12/43/56/593124356.db2.gz UPGJIWRYCFJVRZ-ZACQAIPSSA-N 2 2 327.428 1.545 20 0 EDADLP CC[C@@H]1CC[N@H+]1CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840078398 593124358 /nfs/dbraw/zinc/12/43/58/593124358.db2.gz UPGJIWRYCFJVRZ-ZACQAIPSSA-N 2 2 327.428 1.545 20 0 EDADLP CC[C@@H]1CC[NH+]1CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840078398 593124362 /nfs/dbraw/zinc/12/43/62/593124362.db2.gz UPGJIWRYCFJVRZ-ZACQAIPSSA-N 2 2 327.428 1.545 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838906810 593230253 /nfs/dbraw/zinc/23/02/53/593230253.db2.gz QHLBUSZAXHROEY-GASCZTMLSA-N 2 2 329.400 1.751 20 0 EDADLP C[C@H](O)c1ncc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000809585338 593348214 /nfs/dbraw/zinc/34/82/14/593348214.db2.gz HPBNGVBENCLZSB-DZKIICNBSA-N 2 2 338.521 1.654 20 0 EDADLP C[C@H](O)c1ncc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000809585338 593348215 /nfs/dbraw/zinc/34/82/15/593348215.db2.gz HPBNGVBENCLZSB-DZKIICNBSA-N 2 2 338.521 1.654 20 0 EDADLP C[C@H](O)c1ncc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)s1 ZINC000809612060 593349815 /nfs/dbraw/zinc/34/98/15/593349815.db2.gz VQSCONYLAIPGSS-ZDUSSCGKSA-N 2 2 347.488 1.633 20 0 EDADLP O=C1C[C@]2(CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)Oc2ccccc21 ZINC000839644391 593362841 /nfs/dbraw/zinc/36/28/41/593362841.db2.gz RHCCOPMWGXUAIG-BEFAXECRSA-N 2 2 330.428 1.553 20 0 EDADLP O=C1C[C@]2(CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)Oc2ccccc21 ZINC000839644391 593362843 /nfs/dbraw/zinc/36/28/43/593362843.db2.gz RHCCOPMWGXUAIG-BEFAXECRSA-N 2 2 330.428 1.553 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C(=O)[C@]12CCCO2 ZINC000840031156 593395448 /nfs/dbraw/zinc/39/54/48/593395448.db2.gz NOQVDBLCOGDLAY-DFEOGRTESA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C(=O)[C@]12CCCO2 ZINC000840031156 593395451 /nfs/dbraw/zinc/39/54/51/593395451.db2.gz NOQVDBLCOGDLAY-DFEOGRTESA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C(=O)[C@]12CCCO2 ZINC000840031156 593395454 /nfs/dbraw/zinc/39/54/54/593395454.db2.gz NOQVDBLCOGDLAY-DFEOGRTESA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C(=O)[C@]12CCCO2 ZINC000840031156 593395457 /nfs/dbraw/zinc/39/54/57/593395457.db2.gz NOQVDBLCOGDLAY-DFEOGRTESA-N 2 2 335.492 1.776 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000758242817 593398084 /nfs/dbraw/zinc/39/80/84/593398084.db2.gz YFUYEHGORJUOFQ-HLIPFELVSA-N 2 2 342.487 1.945 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000758242817 593398086 /nfs/dbraw/zinc/39/80/86/593398086.db2.gz YFUYEHGORJUOFQ-HLIPFELVSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000758242817 593398088 /nfs/dbraw/zinc/39/80/88/593398088.db2.gz YFUYEHGORJUOFQ-HLIPFELVSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000758242817 593398089 /nfs/dbraw/zinc/39/80/89/593398089.db2.gz YFUYEHGORJUOFQ-HLIPFELVSA-N 2 2 342.487 1.945 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000817184830 593581002 /nfs/dbraw/zinc/58/10/02/593581002.db2.gz QHEZPKTUCWNFBW-SFHVURJKSA-N 2 2 348.443 1.283 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000817184830 593581004 /nfs/dbraw/zinc/58/10/04/593581004.db2.gz QHEZPKTUCWNFBW-SFHVURJKSA-N 2 2 348.443 1.283 20 0 EDADLP FC(F)Cn1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000814291117 593581761 /nfs/dbraw/zinc/58/17/61/593581761.db2.gz AXMGWGBYWRRFCG-OAHLLOKOSA-N 2 2 328.407 1.881 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cn1 ZINC000818964526 593730664 /nfs/dbraw/zinc/73/06/64/593730664.db2.gz YUKDFSOAANHNRP-LJQANCHMSA-N 2 2 345.418 1.876 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000819018814 593734143 /nfs/dbraw/zinc/73/41/43/593734143.db2.gz YEQYQHBLCDNDOA-GOSISDBHSA-N 2 2 348.491 1.782 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000819018814 593734144 /nfs/dbraw/zinc/73/41/44/593734144.db2.gz YEQYQHBLCDNDOA-GOSISDBHSA-N 2 2 348.491 1.782 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000819298466 593749356 /nfs/dbraw/zinc/74/93/56/593749356.db2.gz KALALHJANUYFKR-INIZCTEOSA-N 2 2 349.456 1.446 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000820810397 593894764 /nfs/dbraw/zinc/89/47/64/593894764.db2.gz WGPOEQBTYQGDHL-GGPKGHCWSA-N 3 2 330.520 1.875 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000820810397 593894767 /nfs/dbraw/zinc/89/47/67/593894767.db2.gz WGPOEQBTYQGDHL-GGPKGHCWSA-N 3 2 330.520 1.875 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821691273 593916037 /nfs/dbraw/zinc/91/60/37/593916037.db2.gz OMMVMHINMMTKRW-ZDUSSCGKSA-N 2 2 330.436 1.628 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822774100 594098608 /nfs/dbraw/zinc/09/86/08/594098608.db2.gz AERVVBCFTATLBJ-DGCLKSJQSA-N 2 2 334.291 1.984 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCOc2ccccc21 ZINC000824957445 594105177 /nfs/dbraw/zinc/10/51/77/594105177.db2.gz NPYOFHVJRWURML-IBGZPJMESA-N 2 2 333.476 1.727 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCOc2ccccc21 ZINC000824957445 594105178 /nfs/dbraw/zinc/10/51/78/594105178.db2.gz NPYOFHVJRWURML-IBGZPJMESA-N 2 2 333.476 1.727 20 0 EDADLP Cc1cc([C@H]([NH3+])Cc2nc(Cc3c[nH+]cn3C)no2)cc(Cl)n1 ZINC000822891008 594118017 /nfs/dbraw/zinc/11/80/17/594118017.db2.gz DHGGFZIQDPQKTH-GFCCVEGCSA-N 2 2 332.795 1.993 20 0 EDADLP CCOCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825599959 594205137 /nfs/dbraw/zinc/20/51/37/594205137.db2.gz UOLRPIMJRWBFJA-UHFFFAOYSA-N 2 2 330.436 1.457 20 0 EDADLP Cc1[nH+]cc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C ZINC000825921852 594280538 /nfs/dbraw/zinc/28/05/38/594280538.db2.gz BGFLLYXVBJENMI-UHFFFAOYSA-N 2 2 329.404 1.266 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1(C)C ZINC000827976999 594313582 /nfs/dbraw/zinc/31/35/82/594313582.db2.gz ZMXJYTRTWSCJDX-KSSFIOAISA-N 2 2 335.448 1.856 20 0 EDADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826157938 594353940 /nfs/dbraw/zinc/35/39/40/594353940.db2.gz SELQMFQAMQJZBH-GFCCVEGCSA-N 2 2 336.415 1.625 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000826157938 594353942 /nfs/dbraw/zinc/35/39/42/594353942.db2.gz SELQMFQAMQJZBH-GFCCVEGCSA-N 2 2 336.415 1.625 20 0 EDADLP CC(C)(O)c1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000830263143 594364655 /nfs/dbraw/zinc/36/46/55/594364655.db2.gz BAALFOCBBBYQBG-LJQANCHMSA-N 2 2 347.503 1.410 20 0 EDADLP C[NH+]1CCC(OCC(=O)NCCn2c[nH+]cc2-c2ccccc2)CC1 ZINC000828216483 594366954 /nfs/dbraw/zinc/36/69/54/594366954.db2.gz OYTIARFKPYOIKP-UHFFFAOYSA-N 2 2 342.443 1.777 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1-c1nn[nH]n1 ZINC000826194306 594372841 /nfs/dbraw/zinc/37/28/41/594372841.db2.gz IMXRROLYFDOTFZ-AWEZNQCLSA-N 2 2 339.403 1.909 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1-c1nn[nH]n1 ZINC000826194306 594372843 /nfs/dbraw/zinc/37/28/43/594372843.db2.gz IMXRROLYFDOTFZ-AWEZNQCLSA-N 2 2 339.403 1.909 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000829286963 594592824 /nfs/dbraw/zinc/59/28/24/594592824.db2.gz MRLMTIIWXLCDOE-UHFFFAOYSA-N 2 2 342.443 1.448 20 0 EDADLP CCO[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C[NH+](C)C ZINC000831745249 594698844 /nfs/dbraw/zinc/69/88/44/594698844.db2.gz SHILARQKNNSWSS-SJORKVTESA-N 2 2 334.464 1.129 20 0 EDADLP CCO[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C[NH+](C)C ZINC000831745249 594698845 /nfs/dbraw/zinc/69/88/45/594698845.db2.gz SHILARQKNNSWSS-SJORKVTESA-N 2 2 334.464 1.129 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(Br)n1 ZINC000841151569 594859433 /nfs/dbraw/zinc/85/94/33/594859433.db2.gz IRTOZMWEYVHCJF-JTQLQIEISA-N 2 2 342.241 1.259 20 0 EDADLP COc1ccccc1[C@H](NC(=O)NC(C)(C)C[NH3+])c1[nH+]ccn1C ZINC000841669555 594933281 /nfs/dbraw/zinc/93/32/81/594933281.db2.gz NJVCDOISXGJIAU-AWEZNQCLSA-N 2 2 331.420 1.555 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)S1 ZINC000841929460 594983971 /nfs/dbraw/zinc/98/39/71/594983971.db2.gz YAISVYQWZSBJJF-CYBMUJFWSA-N 2 2 339.509 1.195 20 0 EDADLP [NH3+]CCc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000841930962 594984297 /nfs/dbraw/zinc/98/42/97/594984297.db2.gz GDKHEQUNPYTLHR-GOSISDBHSA-N 2 2 340.427 1.946 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000841993297 594997328 /nfs/dbraw/zinc/99/73/28/594997328.db2.gz BEEVYNAUJIIVGW-CYBMUJFWSA-N 2 2 341.525 1.713 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000842057207 595010875 /nfs/dbraw/zinc/01/08/75/595010875.db2.gz GYTQXYFWOWGLHQ-OAHLLOKOSA-N 2 2 343.431 1.122 20 0 EDADLP CC[NH+]1CCN(c2ccc(-c3noc(C4([NH3+])CC4)n3)cc2F)CC1 ZINC000843205846 595033525 /nfs/dbraw/zinc/03/35/25/595033525.db2.gz SHXBEYTUMOXDGQ-UHFFFAOYSA-N 2 2 331.395 1.965 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000845651275 595038603 /nfs/dbraw/zinc/03/86/03/595038603.db2.gz FQZNZTXEDTZSCL-UHFFFAOYSA-N 2 2 340.418 1.950 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000845651275 595038607 /nfs/dbraw/zinc/03/86/07/595038607.db2.gz FQZNZTXEDTZSCL-UHFFFAOYSA-N 2 2 340.418 1.950 20 0 EDADLP CC(C)[C@@]1(C)NC(=O)N(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000121538613 595077628 /nfs/dbraw/zinc/07/76/28/595077628.db2.gz CYXGVJGGUYDSST-JKIFEVAISA-N 2 2 333.436 1.690 20 0 EDADLP CC(C)[C@@]1(C)NC(=O)N(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000121538613 595077633 /nfs/dbraw/zinc/07/76/33/595077633.db2.gz CYXGVJGGUYDSST-JKIFEVAISA-N 2 2 333.436 1.690 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843348105 595082395 /nfs/dbraw/zinc/08/23/95/595082395.db2.gz VZQKZPWFIQDNAU-OAHLLOKOSA-N 2 2 346.475 1.682 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843348105 595082398 /nfs/dbraw/zinc/08/23/98/595082398.db2.gz VZQKZPWFIQDNAU-OAHLLOKOSA-N 2 2 346.475 1.682 20 0 EDADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843354157 595084401 /nfs/dbraw/zinc/08/44/01/595084401.db2.gz VOQQGZJPRPTFHH-SWLSCSKDSA-N 2 2 342.509 1.104 20 0 EDADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843354157 595084409 /nfs/dbraw/zinc/08/44/09/595084409.db2.gz VOQQGZJPRPTFHH-SWLSCSKDSA-N 2 2 342.509 1.104 20 0 EDADLP C/C(=C\C(=O)NC1CCC(C)([NH+]2CCC2)CC1)C[NH+]1CCOCC1 ZINC000834772273 595208373 /nfs/dbraw/zinc/20/83/73/595208373.db2.gz PWOLWPHKIDLISV-JQIJEIRASA-N 2 2 335.492 1.788 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](O)c3ccccn3)c2cc1C ZINC000843092688 595285702 /nfs/dbraw/zinc/28/57/02/595285702.db2.gz DMGZYONKSCEXDU-BEFAXECRSA-N 2 2 340.427 1.732 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843095809 595286513 /nfs/dbraw/zinc/28/65/13/595286513.db2.gz PVDTXWFDSYRUKC-CQSZACIVSA-N 2 2 331.254 1.386 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000843095809 595286515 /nfs/dbraw/zinc/28/65/15/595286515.db2.gz PVDTXWFDSYRUKC-CQSZACIVSA-N 2 2 331.254 1.386 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1[nH+]ccn1C ZINC000844167289 595289274 /nfs/dbraw/zinc/28/92/74/595289274.db2.gz ABOWBWXITSUFMK-RISCZKNCSA-N 2 2 338.358 1.617 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000844168542 595289953 /nfs/dbraw/zinc/28/99/53/595289953.db2.gz HLVJTUCBUNWEEM-ZDUSSCGKSA-N 2 2 330.432 1.153 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000846668410 595296772 /nfs/dbraw/zinc/29/67/72/595296772.db2.gz MELHXRSFRMWHFH-MRXNPFEDSA-N 2 2 332.448 1.099 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000846669832 595297132 /nfs/dbraw/zinc/29/71/32/595297132.db2.gz VCXUVDUHZHQCTR-OLZOCXBDSA-N 2 2 333.354 1.134 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000846669984 595297223 /nfs/dbraw/zinc/29/72/23/595297223.db2.gz LMXRCQJSPSQZJZ-IRXDYDNUSA-N 2 2 337.439 1.377 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000846671312 595297728 /nfs/dbraw/zinc/29/77/28/595297728.db2.gz RDXMCGCNEDQVNJ-STQMWFEESA-N 2 2 334.247 1.422 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)C1 ZINC000844226882 595309867 /nfs/dbraw/zinc/30/98/67/595309867.db2.gz RYEKSPHFDLDNRU-QZTJIDSGSA-N 3 2 341.459 1.986 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846837327 595324805 /nfs/dbraw/zinc/32/48/05/595324805.db2.gz LYAWDRBKBIXUCB-QGZVFWFLSA-N 2 2 338.452 1.577 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846837327 595324807 /nfs/dbraw/zinc/32/48/07/595324807.db2.gz LYAWDRBKBIXUCB-QGZVFWFLSA-N 2 2 338.452 1.577 20 0 EDADLP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178734 595371782 /nfs/dbraw/zinc/37/17/82/595371782.db2.gz SQZRJTBLUMCQML-AFIMGQEJSA-N 2 2 343.487 1.813 20 0 EDADLP C[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178734 595371785 /nfs/dbraw/zinc/37/17/85/595371785.db2.gz SQZRJTBLUMCQML-AFIMGQEJSA-N 2 2 343.487 1.813 20 0 EDADLP C[C@@H](CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178734 595371790 /nfs/dbraw/zinc/37/17/90/595371790.db2.gz SQZRJTBLUMCQML-AFIMGQEJSA-N 2 2 343.487 1.813 20 0 EDADLP CC[N@H+](CCC1CC[NH+](Cn2nc(C)n(C)c2=O)CC1)CC1CC1 ZINC000844697665 595376775 /nfs/dbraw/zinc/37/67/75/595376775.db2.gz ILSCRBQYMOGOQI-UHFFFAOYSA-N 2 2 335.496 1.682 20 0 EDADLP CC[N@@H+](CCC1CC[NH+](Cn2nc(C)n(C)c2=O)CC1)CC1CC1 ZINC000844697665 595376778 /nfs/dbraw/zinc/37/67/78/595376778.db2.gz ILSCRBQYMOGOQI-UHFFFAOYSA-N 2 2 335.496 1.682 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnc(Cl)n2C)CC1 ZINC000848537011 595403427 /nfs/dbraw/zinc/40/34/27/595403427.db2.gz ZSASNQLAYVAPNE-UHFFFAOYSA-N 2 2 327.860 1.106 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)cccc1F ZINC000848533826 595403449 /nfs/dbraw/zinc/40/34/49/595403449.db2.gz NRHWFTLFHLIDQC-BBRMVZONSA-N 2 2 326.387 1.841 20 0 EDADLP COc1cnc(F)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000847489651 595432346 /nfs/dbraw/zinc/43/23/46/595432346.db2.gz RIWKOONMKFJRMJ-UHFFFAOYSA-N 2 2 338.427 1.327 20 0 EDADLP COc1cnc(F)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000847489651 595432348 /nfs/dbraw/zinc/43/23/48/595432348.db2.gz RIWKOONMKFJRMJ-UHFFFAOYSA-N 2 2 338.427 1.327 20 0 EDADLP C[C@H]1CN(C(=[NH2+])NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000849094512 595480457 /nfs/dbraw/zinc/48/04/57/595480457.db2.gz MDQKYGGANLVDRO-DOTOQJQBSA-N 2 2 332.448 1.132 20 0 EDADLP C[C@H]1CN(C(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000849094512 595480459 /nfs/dbraw/zinc/48/04/59/595480459.db2.gz MDQKYGGANLVDRO-DOTOQJQBSA-N 2 2 332.448 1.132 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2ccns2)C1 ZINC000860051921 595558372 /nfs/dbraw/zinc/55/83/72/595558372.db2.gz QDLKNHUCJNPVAX-UONOGXRCSA-N 2 2 340.493 1.267 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2ccns2)C1 ZINC000860051921 595558375 /nfs/dbraw/zinc/55/83/75/595558375.db2.gz QDLKNHUCJNPVAX-UONOGXRCSA-N 2 2 340.493 1.267 20 0 EDADLP C[NH+](C)Cc1ccc(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1F ZINC000852869484 595589193 /nfs/dbraw/zinc/58/91/93/595589193.db2.gz GDMPABLBDWGSSB-LLVKDONJSA-N 2 2 331.395 1.940 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000855408778 595698473 /nfs/dbraw/zinc/69/84/73/595698473.db2.gz YQQKYNQFQYABML-CKEIUWERSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000855408778 595698478 /nfs/dbraw/zinc/69/84/78/595698478.db2.gz YQQKYNQFQYABML-CKEIUWERSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000855408778 595698482 /nfs/dbraw/zinc/69/84/82/595698482.db2.gz YQQKYNQFQYABML-CKEIUWERSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000855408778 595698485 /nfs/dbraw/zinc/69/84/85/595698485.db2.gz YQQKYNQFQYABML-CKEIUWERSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000855408781 595698956 /nfs/dbraw/zinc/69/89/56/595698956.db2.gz YQQKYNQFQYABML-VBQJREDUSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000855408781 595698958 /nfs/dbraw/zinc/69/89/58/595698958.db2.gz YQQKYNQFQYABML-VBQJREDUSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000855408781 595698960 /nfs/dbraw/zinc/69/89/60/595698960.db2.gz YQQKYNQFQYABML-VBQJREDUSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000855408781 595698961 /nfs/dbraw/zinc/69/89/61/595698961.db2.gz YQQKYNQFQYABML-VBQJREDUSA-N 2 2 329.460 1.424 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000858126771 595706703 /nfs/dbraw/zinc/70/67/03/595706703.db2.gz JDUNICFYDLJZRC-HUUCEWRRSA-N 2 2 335.448 1.761 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1C ZINC000858126771 595706705 /nfs/dbraw/zinc/70/67/05/595706705.db2.gz JDUNICFYDLJZRC-HUUCEWRRSA-N 2 2 335.448 1.761 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858248417 595742629 /nfs/dbraw/zinc/74/26/29/595742629.db2.gz SPOCUSOMYCNSTR-ZIAGYGMSSA-N 2 2 327.469 1.600 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858248417 595742634 /nfs/dbraw/zinc/74/26/34/595742634.db2.gz SPOCUSOMYCNSTR-ZIAGYGMSSA-N 2 2 327.469 1.600 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1)NCc1ccccc1 ZINC000858335359 595767079 /nfs/dbraw/zinc/76/70/79/595767079.db2.gz SOBRGUHEZAYJTO-UHFFFAOYSA-N 2 2 340.427 1.012 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnn(-c2ccccc2)c1 ZINC000858466487 595803235 /nfs/dbraw/zinc/80/32/35/595803235.db2.gz GGWGGGMJZXLNSI-QAPCUYQASA-N 2 2 341.459 1.863 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(Cl)[nH]c(=O)n3)CC2)CC1 ZINC000858573492 595832110 /nfs/dbraw/zinc/83/21/10/595832110.db2.gz GZGVTGUWNKAZTD-UHFFFAOYSA-N 2 2 339.871 1.832 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(Cl)[nH]c(=O)n3)CC2)CC1 ZINC000858573492 595832113 /nfs/dbraw/zinc/83/21/13/595832113.db2.gz GZGVTGUWNKAZTD-UHFFFAOYSA-N 2 2 339.871 1.832 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CC2C[NH+](C)C2)cn1 ZINC000851976631 595992630 /nfs/dbraw/zinc/99/26/30/595992630.db2.gz HPPZOXDKKKNSPI-UHFFFAOYSA-N 2 2 328.420 1.279 20 0 EDADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000854224046 596007616 /nfs/dbraw/zinc/00/76/16/596007616.db2.gz VBKWYPNIINMHDO-YPMHNXCESA-N 2 2 338.395 1.512 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3nnnn3C)C2)ccn1 ZINC000856584431 596021849 /nfs/dbraw/zinc/02/18/49/596021849.db2.gz JYQMKLJUEANQGF-CJNGLKHVSA-N 2 2 345.451 1.271 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3nnnn3C)C2)ccn1 ZINC000856584431 596021853 /nfs/dbraw/zinc/02/18/53/596021853.db2.gz JYQMKLJUEANQGF-CJNGLKHVSA-N 2 2 345.451 1.271 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)c3nnnn3C)C2)ccn1 ZINC000856584431 596021857 /nfs/dbraw/zinc/02/18/57/596021857.db2.gz JYQMKLJUEANQGF-CJNGLKHVSA-N 2 2 345.451 1.271 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)c3nnnn3C)C2)ccn1 ZINC000856584431 596021861 /nfs/dbraw/zinc/02/18/61/596021861.db2.gz JYQMKLJUEANQGF-CJNGLKHVSA-N 2 2 345.451 1.271 20 0 EDADLP Cc1ccc2nc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000859337550 596055552 /nfs/dbraw/zinc/05/55/52/596055552.db2.gz LKSKKLGRGJCYRZ-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1ccc2nc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000859337550 596055558 /nfs/dbraw/zinc/05/55/58/596055558.db2.gz LKSKKLGRGJCYRZ-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP O=C1C[C@@]2(CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)Oc2ccccc21 ZINC000859578479 596137240 /nfs/dbraw/zinc/13/72/40/596137240.db2.gz SIISMWWRZYWONZ-OXQOHEQNSA-N 2 2 344.455 1.943 20 0 EDADLP O=C1C[C@@]2(CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)Oc2ccccc21 ZINC000859578479 596137242 /nfs/dbraw/zinc/13/72/42/596137242.db2.gz SIISMWWRZYWONZ-OXQOHEQNSA-N 2 2 344.455 1.943 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CCN(Cc3ccc(-n4cc[nH+]c4)nc3)CC2)C1 ZINC000852708022 596230835 /nfs/dbraw/zinc/23/08/35/596230835.db2.gz OOBLQBGNPIRKRK-QGZVFWFLSA-N 2 2 327.432 1.298 20 0 EDADLP O[C@@H]1CC[N@H+](C2CCN(Cc3ccc(-n4cc[nH+]c4)nc3)CC2)C1 ZINC000852708022 596230836 /nfs/dbraw/zinc/23/08/36/596230836.db2.gz OOBLQBGNPIRKRK-QGZVFWFLSA-N 2 2 327.432 1.298 20 0 EDADLP COCC[NH+]1CCC(OC(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000870461544 596251276 /nfs/dbraw/zinc/25/12/76/596251276.db2.gz JEKFWCGCLPULPR-UHFFFAOYSA-N 2 2 335.379 1.670 20 0 EDADLP Cc1ccc2[nH+]c(Cn3cc(CCC[NH+]4CCOCC4)nn3)cn2c1 ZINC000864627056 596288740 /nfs/dbraw/zinc/28/87/40/596288740.db2.gz ZGRSFHVYWSHAIZ-UHFFFAOYSA-N 2 2 340.431 1.547 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cn21 ZINC000868742203 596292173 /nfs/dbraw/zinc/29/21/73/596292173.db2.gz VDRMQPLZEOVIEW-NVXWUHKLSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)cn21 ZINC000868742203 596292175 /nfs/dbraw/zinc/29/21/75/596292175.db2.gz VDRMQPLZEOVIEW-NVXWUHKLSA-N 2 2 341.459 1.921 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[NH2+]CCC1(C)C)c1ccccc1 ZINC000866699681 596298608 /nfs/dbraw/zinc/29/86/08/596298608.db2.gz RHHMZUKIJYDFLY-UHFFFAOYSA-N 2 2 332.492 1.703 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[NH2+]CCC1(C)C)c1ccccc1 ZINC000866699681 596298611 /nfs/dbraw/zinc/29/86/11/596298611.db2.gz RHHMZUKIJYDFLY-UHFFFAOYSA-N 2 2 332.492 1.703 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1CC(=O)NCCCOC1CCCCC1 ZINC000866699020 596298810 /nfs/dbraw/zinc/29/88/10/596298810.db2.gz IZQHBIUZOGTLRY-UHFFFAOYSA-N 2 2 325.497 1.916 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1CC(=O)NCCCOC1CCCCC1 ZINC000866699020 596298813 /nfs/dbraw/zinc/29/88/13/596298813.db2.gz IZQHBIUZOGTLRY-UHFFFAOYSA-N 2 2 325.497 1.916 20 0 EDADLP O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000866724469 596310897 /nfs/dbraw/zinc/31/08/97/596310897.db2.gz LCXRPNMQVLGRAT-IRXDYDNUSA-N 2 2 348.516 1.219 20 0 EDADLP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000866761698 596327851 /nfs/dbraw/zinc/32/78/51/596327851.db2.gz VIQTXFUNVDEJKS-QPJJXVBHSA-N 2 2 347.459 1.171 20 0 EDADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000862532110 596340319 /nfs/dbraw/zinc/34/03/19/596340319.db2.gz QBISGSUJAJRFHC-OWCLPIDISA-N 2 2 341.496 1.821 20 0 EDADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000862532110 596340321 /nfs/dbraw/zinc/34/03/21/596340321.db2.gz QBISGSUJAJRFHC-OWCLPIDISA-N 2 2 341.496 1.821 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000864762790 596342635 /nfs/dbraw/zinc/34/26/35/596342635.db2.gz HLEFZKKZZOWDRL-WMHRWZGDSA-N 2 2 343.471 1.828 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870861415 596380679 /nfs/dbraw/zinc/38/06/79/596380679.db2.gz VKTMXWIKUPVGCW-RMJJICAUSA-N 2 2 343.471 1.612 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(N)ccc3Cl)C2)CC1 ZINC000870884632 596389719 /nfs/dbraw/zinc/38/97/19/596389719.db2.gz DAGOFDYIUCQNOJ-ZDUSSCGKSA-N 2 2 336.867 1.821 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(N)ccc3Cl)C2)CC1 ZINC000870884632 596389724 /nfs/dbraw/zinc/38/97/24/596389724.db2.gz DAGOFDYIUCQNOJ-ZDUSSCGKSA-N 2 2 336.867 1.821 20 0 EDADLP [NH3+][C@@H](C(=O)NCC[N@H+]1CC=CCC1)c1cccc(Br)c1 ZINC000870931310 596409848 /nfs/dbraw/zinc/40/98/48/596409848.db2.gz COMGPJLYDOYDCK-CQSZACIVSA-N 2 2 338.249 1.827 20 0 EDADLP [NH3+][C@@H](C(=O)NCC[N@@H+]1CC=CCC1)c1cccc(Br)c1 ZINC000870931310 596409850 /nfs/dbraw/zinc/40/98/50/596409850.db2.gz COMGPJLYDOYDCK-CQSZACIVSA-N 2 2 338.249 1.827 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000869108796 596412994 /nfs/dbraw/zinc/41/29/94/596412994.db2.gz VKKPAAKSMOGVRS-NJAFHUGGSA-N 2 2 328.460 1.909 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000869108796 596412996 /nfs/dbraw/zinc/41/29/96/596412996.db2.gz VKKPAAKSMOGVRS-NJAFHUGGSA-N 2 2 328.460 1.909 20 0 EDADLP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3c4ccccc4C[N@H+]3C)CC[C@@H]21 ZINC000869108796 596412998 /nfs/dbraw/zinc/41/29/98/596412998.db2.gz VKKPAAKSMOGVRS-NJAFHUGGSA-N 2 2 328.460 1.909 20 0 EDADLP C[NH+]1CC[C@@H]2CN(C(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)CC[C@@H]21 ZINC000869108796 596413000 /nfs/dbraw/zinc/41/30/00/596413000.db2.gz VKKPAAKSMOGVRS-NJAFHUGGSA-N 2 2 328.460 1.909 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864940735 596422669 /nfs/dbraw/zinc/42/26/69/596422669.db2.gz CBKRTNMBSONFMU-OCCSQVGLSA-N 2 2 328.407 1.921 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864940735 596422670 /nfs/dbraw/zinc/42/26/70/596422670.db2.gz CBKRTNMBSONFMU-OCCSQVGLSA-N 2 2 328.407 1.921 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000870977651 596425120 /nfs/dbraw/zinc/42/51/20/596425120.db2.gz JDLZJNFMWNHBOQ-QRVBRYPASA-N 2 2 345.487 1.830 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)C2)cc1 ZINC000870977651 596425123 /nfs/dbraw/zinc/42/51/23/596425123.db2.gz JDLZJNFMWNHBOQ-QRVBRYPASA-N 2 2 345.487 1.830 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C(C)(C)C1 ZINC000869158809 596429099 /nfs/dbraw/zinc/42/90/99/596429099.db2.gz SIPXUNBBIMAGDJ-UHFFFAOYSA-N 2 2 348.422 1.585 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C(C)(C)C1 ZINC000869158809 596429101 /nfs/dbraw/zinc/42/91/01/596429101.db2.gz SIPXUNBBIMAGDJ-UHFFFAOYSA-N 2 2 348.422 1.585 20 0 EDADLP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)cc21 ZINC000865466077 596583445 /nfs/dbraw/zinc/58/34/45/596583445.db2.gz PSQZKFTVUKDOMD-CQSZACIVSA-N 2 2 346.431 1.030 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867863698 596591014 /nfs/dbraw/zinc/59/10/14/596591014.db2.gz WSRHXFCDHBGOSQ-NSCUHMNNSA-N 2 2 345.443 1.648 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3[NH2+]CC3(C)C)C2)cc1 ZINC000867997460 596646972 /nfs/dbraw/zinc/64/69/72/596646972.db2.gz FRDNKCUGPOJEOJ-IAGOWNOFSA-N 2 2 331.460 1.310 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3[NH2+]CC3(C)C)C2)cc1 ZINC000867997460 596646974 /nfs/dbraw/zinc/64/69/74/596646974.db2.gz FRDNKCUGPOJEOJ-IAGOWNOFSA-N 2 2 331.460 1.310 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000867998092 596648258 /nfs/dbraw/zinc/64/82/58/596648258.db2.gz PEILSSXDSWUKRR-MJGOQNOKSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000867998092 596648260 /nfs/dbraw/zinc/64/82/60/596648260.db2.gz PEILSSXDSWUKRR-MJGOQNOKSA-N 2 2 331.460 1.312 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@H](O)C1 ZINC000865745734 596668044 /nfs/dbraw/zinc/66/80/44/596668044.db2.gz JVUUMBPLTIALHB-ZIAGYGMSSA-N 2 2 336.436 1.289 20 0 EDADLP Nc1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc(C2CCCC2)[nH+]1 ZINC000865763270 596672999 /nfs/dbraw/zinc/67/29/99/596672999.db2.gz GVVAVPACKDHQGB-CQSZACIVSA-N 2 2 346.479 1.660 20 0 EDADLP CCCNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nc[nH+]1 ZINC000865802017 596689992 /nfs/dbraw/zinc/68/99/92/596689992.db2.gz GHNQJCOKPZBHQM-GOOCMWNKSA-N 2 2 346.479 1.794 20 0 EDADLP CCCNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nc[nH+]1 ZINC000865802017 596689993 /nfs/dbraw/zinc/68/99/93/596689993.db2.gz GHNQJCOKPZBHQM-GOOCMWNKSA-N 2 2 346.479 1.794 20 0 EDADLP CCCNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[nH+]cn1 ZINC000865802017 596689997 /nfs/dbraw/zinc/68/99/97/596689997.db2.gz GHNQJCOKPZBHQM-GOOCMWNKSA-N 2 2 346.479 1.794 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C2([NH+](C)C)CCC2)[NH+]2CCOCC2)cc1 ZINC000119645949 596697642 /nfs/dbraw/zinc/69/76/42/596697642.db2.gz CHAPPMCECQAYRE-GOSISDBHSA-N 2 2 345.487 1.969 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)[nH+]c2c1 ZINC000868278236 596760283 /nfs/dbraw/zinc/76/02/83/596760283.db2.gz AJVGIMFLFVTJRL-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)[nH+]c2c1 ZINC000868278236 596760285 /nfs/dbraw/zinc/76/02/85/596760285.db2.gz AJVGIMFLFVTJRL-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868281877 596762431 /nfs/dbraw/zinc/76/24/31/596762431.db2.gz VSHBALQDASAGBX-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868281877 596762432 /nfs/dbraw/zinc/76/24/32/596762432.db2.gz VSHBALQDASAGBX-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3C4CCC3(C[NH3+])CC4)ccc2n1C ZINC000868288342 596768277 /nfs/dbraw/zinc/76/82/77/596768277.db2.gz DUZXDKYKQLKXKA-UHFFFAOYSA-N 2 2 341.415 1.303 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1C(F)(F)F ZINC000872148263 596812156 /nfs/dbraw/zinc/81/21/56/596812156.db2.gz IRCICYXUGBKCOY-BXUZGUMPSA-N 2 2 333.398 1.989 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1C(F)(F)F ZINC000872148263 596812157 /nfs/dbraw/zinc/81/21/57/596812157.db2.gz IRCICYXUGBKCOY-BXUZGUMPSA-N 2 2 333.398 1.989 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000868423277 596832339 /nfs/dbraw/zinc/83/23/39/596832339.db2.gz HGBWACKQFZWGFG-RRQGHBQHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000868423277 596832341 /nfs/dbraw/zinc/83/23/41/596832341.db2.gz HGBWACKQFZWGFG-RRQGHBQHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1c2ccccc2C[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000868423277 596832344 /nfs/dbraw/zinc/83/23/44/596832344.db2.gz HGBWACKQFZWGFG-RRQGHBQHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1c2ccccc2C[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000868423277 596832347 /nfs/dbraw/zinc/83/23/47/596832347.db2.gz HGBWACKQFZWGFG-RRQGHBQHSA-N 2 2 332.448 1.191 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000872217579 596840033 /nfs/dbraw/zinc/84/00/33/596840033.db2.gz ABNSZKUEFGLWPK-IRXDYDNUSA-N 2 2 336.476 1.478 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000872217579 596840034 /nfs/dbraw/zinc/84/00/34/596840034.db2.gz ABNSZKUEFGLWPK-IRXDYDNUSA-N 2 2 336.476 1.478 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000872218763 596840699 /nfs/dbraw/zinc/84/06/99/596840699.db2.gz SRKOUNMICOAIAM-IRXDYDNUSA-N 2 2 336.476 1.478 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000872218763 596840700 /nfs/dbraw/zinc/84/07/00/596840700.db2.gz SRKOUNMICOAIAM-IRXDYDNUSA-N 2 2 336.476 1.478 20 0 EDADLP CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000866284721 596847222 /nfs/dbraw/zinc/84/72/22/596847222.db2.gz AKNRJYHVGGNZKO-DOTOQJQBSA-N 2 2 328.416 1.566 20 0 EDADLP CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000866284721 596847225 /nfs/dbraw/zinc/84/72/25/596847225.db2.gz AKNRJYHVGGNZKO-DOTOQJQBSA-N 2 2 328.416 1.566 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000866415270 596881109 /nfs/dbraw/zinc/88/11/09/596881109.db2.gz YWVYUGGDWNBFOQ-SOUVJXGZSA-N 2 2 341.496 1.867 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000866415270 596881112 /nfs/dbraw/zinc/88/11/12/596881112.db2.gz YWVYUGGDWNBFOQ-SOUVJXGZSA-N 2 2 341.496 1.867 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000874839438 597193710 /nfs/dbraw/zinc/19/37/10/597193710.db2.gz WFFHDJXSPFNEHI-RTBURBONSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000874839438 597193713 /nfs/dbraw/zinc/19/37/13/597193713.db2.gz WFFHDJXSPFNEHI-RTBURBONSA-N 2 2 343.471 1.828 20 0 EDADLP COc1ccc(C[C@](C)(CO)[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC ZINC000873192390 597223560 /nfs/dbraw/zinc/22/35/60/597223560.db2.gz FVOZZEZDNNQJRV-LJQANCHMSA-N 2 2 345.443 1.930 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247060 597238910 /nfs/dbraw/zinc/23/89/10/597238910.db2.gz HMVDJXXQYRCABO-FZKQIMNGSA-N 3 2 326.448 1.298 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247060 597238911 /nfs/dbraw/zinc/23/89/11/597238911.db2.gz HMVDJXXQYRCABO-FZKQIMNGSA-N 3 2 326.448 1.298 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873316552 597254875 /nfs/dbraw/zinc/25/48/75/597254875.db2.gz QPQXDTSXYSKJAW-CRAIPNDOSA-N 2 2 345.447 1.633 20 0 EDADLP CN1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccc[nH+]c21 ZINC000875094002 597278691 /nfs/dbraw/zinc/27/86/91/597278691.db2.gz XYJPHNFBUKFUMF-HOTGVXAUSA-N 2 2 329.448 1.670 20 0 EDADLP CN1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)Cc2ccc[nH+]c21 ZINC000875094002 597278692 /nfs/dbraw/zinc/27/86/92/597278692.db2.gz XYJPHNFBUKFUMF-HOTGVXAUSA-N 2 2 329.448 1.670 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000876754816 597323194 /nfs/dbraw/zinc/32/31/94/597323194.db2.gz FRPNZUTUPDCAHZ-FRFSOERESA-N 2 2 335.423 1.966 20 0 EDADLP Cc1cc(NCCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC000877028177 597415867 /nfs/dbraw/zinc/41/58/67/597415867.db2.gz VCZHYBBXDYASLA-KDOFPFPSSA-N 2 2 331.464 1.969 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[nH]c1C ZINC000877030605 597416945 /nfs/dbraw/zinc/41/69/45/597416945.db2.gz GQHTVGFCGKBVAA-MRXNPFEDSA-N 2 2 335.448 1.843 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](C(C)(C)O)C2)CC1 ZINC000875428975 597425108 /nfs/dbraw/zinc/42/51/08/597425108.db2.gz WTVYDRRENLEZTI-OAHLLOKOSA-N 2 2 340.512 1.205 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC000877247475 597477655 /nfs/dbraw/zinc/47/76/55/597477655.db2.gz LXSPGGISIYPQTK-OALUTQOASA-N 2 2 339.439 1.868 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000877247475 597477656 /nfs/dbraw/zinc/47/76/56/597477656.db2.gz LXSPGGISIYPQTK-OALUTQOASA-N 2 2 339.439 1.868 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000877433774 597515035 /nfs/dbraw/zinc/51/50/35/597515035.db2.gz IXYCUPUBADJRKF-CGTJXYLNSA-N 2 2 349.475 1.146 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000877433774 597515036 /nfs/dbraw/zinc/51/50/36/597515036.db2.gz IXYCUPUBADJRKF-CGTJXYLNSA-N 2 2 349.475 1.146 20 0 EDADLP CC(C)(C)OC(=O)NCC(C)(C)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000877559164 597535540 /nfs/dbraw/zinc/53/55/40/597535540.db2.gz SNHLHCCBVZGUNS-HNNXBMFYSA-N 2 2 343.512 1.974 20 0 EDADLP CC(C)(C)OC(=O)NCC(C)(C)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000877559164 597535541 /nfs/dbraw/zinc/53/55/41/597535541.db2.gz SNHLHCCBVZGUNS-HNNXBMFYSA-N 2 2 343.512 1.974 20 0 EDADLP Cc1cccn2c(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)cnc12 ZINC000877747664 597552930 /nfs/dbraw/zinc/55/29/30/597552930.db2.gz WNYSJHBCJHXQOU-UHFFFAOYSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)n1C ZINC000877802618 597559238 /nfs/dbraw/zinc/55/92/38/597559238.db2.gz RJUHBANVCRCCNP-INMHGKMJSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)n1C ZINC000877802618 597559239 /nfs/dbraw/zinc/55/92/39/597559239.db2.gz RJUHBANVCRCCNP-INMHGKMJSA-N 2 2 334.464 1.360 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCc2nnnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000878173314 597584168 /nfs/dbraw/zinc/58/41/68/597584168.db2.gz VTJDFQCGXPMUJT-WBVHZDCISA-N 2 2 328.464 1.738 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCc2nnnn2C)CC[N@H+]1Cc1ccccc1 ZINC000878173314 597584169 /nfs/dbraw/zinc/58/41/69/597584169.db2.gz VTJDFQCGXPMUJT-WBVHZDCISA-N 2 2 328.464 1.738 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CCc2nnnn2C)CC[NH+]1Cc1ccccc1 ZINC000878173314 597584170 /nfs/dbraw/zinc/58/41/70/597584170.db2.gz VTJDFQCGXPMUJT-WBVHZDCISA-N 2 2 328.464 1.738 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CCc2nnnn2C)CC[NH+]1Cc1ccccc1 ZINC000878173314 597584171 /nfs/dbraw/zinc/58/41/71/597584171.db2.gz VTJDFQCGXPMUJT-WBVHZDCISA-N 2 2 328.464 1.738 20 0 EDADLP CC1(C)C[C@@H](C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C(C)(C)O1 ZINC000878291854 597593091 /nfs/dbraw/zinc/59/30/91/597593091.db2.gz BJVQEMVPUQHMCY-GOEBONIOSA-N 2 2 337.508 1.994 20 0 EDADLP CC1(C)C[C@@H](C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C(C)(C)O1 ZINC000878291854 597593092 /nfs/dbraw/zinc/59/30/92/597593092.db2.gz BJVQEMVPUQHMCY-GOEBONIOSA-N 2 2 337.508 1.994 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCN1c1cc[nH+]cc1 ZINC000881632927 597665918 /nfs/dbraw/zinc/66/59/18/597665918.db2.gz GLRKSANIQOMNCF-LSDHHAIUSA-N 2 2 325.416 1.578 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878669733 597673647 /nfs/dbraw/zinc/67/36/47/597673647.db2.gz AZDRVXUJKBHYPM-QGZVFWFLSA-N 2 2 340.508 1.787 20 0 EDADLP O=C1N[C@H]2C[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@@H]2CO1 ZINC000878771880 597707094 /nfs/dbraw/zinc/70/70/94/597707094.db2.gz YTHOIZCNMQAKGE-AOIWGVFYSA-N 2 2 345.443 1.054 20 0 EDADLP O=C1N[C@H]2C[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@@H]2CO1 ZINC000878771880 597707095 /nfs/dbraw/zinc/70/70/95/597707095.db2.gz YTHOIZCNMQAKGE-AOIWGVFYSA-N 2 2 345.443 1.054 20 0 EDADLP O=C1N[C@H]2C[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[C@@H]2CO1 ZINC000878771880 597707097 /nfs/dbraw/zinc/70/70/97/597707097.db2.gz YTHOIZCNMQAKGE-AOIWGVFYSA-N 2 2 345.443 1.054 20 0 EDADLP O=C1N[C@H]2C[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]2CO1 ZINC000878771880 597707098 /nfs/dbraw/zinc/70/70/98/597707098.db2.gz YTHOIZCNMQAKGE-AOIWGVFYSA-N 2 2 345.443 1.054 20 0 EDADLP C[C@H](CCc1cccnc1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371479 597725584 /nfs/dbraw/zinc/72/55/84/597725584.db2.gz MBQXTEYXMVZVSO-QUCCMNQESA-N 2 2 346.519 1.789 20 0 EDADLP Clc1ncccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372334 597726191 /nfs/dbraw/zinc/72/61/91/597726191.db2.gz XBHGFJLYUDWXCC-MRXNPFEDSA-N 2 2 338.883 1.621 20 0 EDADLP CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167419 597839002 /nfs/dbraw/zinc/83/90/02/597839002.db2.gz HTMLPLPGZZVLSO-XOYOTBSWSA-N 2 2 335.492 1.428 20 0 EDADLP CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167419 597839006 /nfs/dbraw/zinc/83/90/06/597839006.db2.gz HTMLPLPGZZVLSO-XOYOTBSWSA-N 2 2 335.492 1.428 20 0 EDADLP CC(C)(C)OCCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252657 597883557 /nfs/dbraw/zinc/88/35/57/597883557.db2.gz PIWFGNXTBNFSDN-UHFFFAOYSA-N 2 2 325.497 1.997 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC=C[C@@H]2CO)CC1 ZINC000880484781 597943170 /nfs/dbraw/zinc/94/31/70/597943170.db2.gz AMSZZLLXRIVHBE-LJQANCHMSA-N 2 2 343.471 1.262 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC=C[C@@H]2CO)CC1 ZINC000880484781 597943171 /nfs/dbraw/zinc/94/31/71/597943171.db2.gz AMSZZLLXRIVHBE-LJQANCHMSA-N 2 2 343.471 1.262 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC=C[C@@H]2CO)CC1 ZINC000880484781 597943173 /nfs/dbraw/zinc/94/31/73/597943173.db2.gz AMSZZLLXRIVHBE-LJQANCHMSA-N 2 2 343.471 1.262 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC=C[C@@H]2CO)CC1 ZINC000880484781 597943174 /nfs/dbraw/zinc/94/31/74/597943174.db2.gz AMSZZLLXRIVHBE-LJQANCHMSA-N 2 2 343.471 1.262 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553005 597961873 /nfs/dbraw/zinc/96/18/73/597961873.db2.gz JCZQKHSHHJUJOE-QZTJIDSGSA-N 2 2 333.476 1.410 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553005 597961874 /nfs/dbraw/zinc/96/18/74/597961874.db2.gz JCZQKHSHHJUJOE-QZTJIDSGSA-N 2 2 333.476 1.410 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553005 597961875 /nfs/dbraw/zinc/96/18/75/597961875.db2.gz JCZQKHSHHJUJOE-QZTJIDSGSA-N 2 2 333.476 1.410 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880553005 597961876 /nfs/dbraw/zinc/96/18/76/597961876.db2.gz JCZQKHSHHJUJOE-QZTJIDSGSA-N 2 2 333.476 1.410 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884083500 597989580 /nfs/dbraw/zinc/98/95/80/597989580.db2.gz PTSHKIXFMUNBJU-HUUCEWRRSA-N 2 2 328.420 1.587 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000129754766 597996678 /nfs/dbraw/zinc/99/66/78/597996678.db2.gz IPZQOTUUSHSMSB-MRXNPFEDSA-N 2 2 327.432 1.965 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)[C@H](C)[NH+]1CCOCC1 ZINC000884212830 598031222 /nfs/dbraw/zinc/03/12/22/598031222.db2.gz NMEYKYLOFPMOEM-GRDNDAEWSA-N 2 2 345.443 1.528 20 0 EDADLP COc1ccnc(OC)c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000881082364 598068592 /nfs/dbraw/zinc/06/85/92/598068592.db2.gz OBFGLMVJIXBGDK-UHFFFAOYSA-N 2 2 339.440 1.104 20 0 EDADLP COc1ccnc(OC)c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000881082364 598068595 /nfs/dbraw/zinc/06/85/95/598068595.db2.gz OBFGLMVJIXBGDK-UHFFFAOYSA-N 2 2 339.440 1.104 20 0 EDADLP CC1([NH+]2CCC2)CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000882963613 598119141 /nfs/dbraw/zinc/11/91/41/598119141.db2.gz DNNBFDYAHYBEQK-MRXNPFEDSA-N 2 2 345.491 1.892 20 0 EDADLP C[C@H](CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[NH+]1CCOCC1 ZINC000914066878 695055513 /nfs/dbraw/zinc/05/55/13/695055513.db2.gz GRMKGDCZLNPANW-KLHKWILBSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000914250937 695305257 /nfs/dbraw/zinc/30/52/57/695305257.db2.gz GBTLOSKVNSSXFZ-KRWDZBQOSA-N 2 2 332.448 1.022 20 0 EDADLP C[N@H+]1CC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000914250937 695305259 /nfs/dbraw/zinc/30/52/59/695305259.db2.gz GBTLOSKVNSSXFZ-KRWDZBQOSA-N 2 2 332.448 1.022 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992873377 695421366 /nfs/dbraw/zinc/42/13/66/695421366.db2.gz NFGHLKDEXPSJCM-NUEKZKHPSA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cscn3)[C@H]2C1 ZINC000992925494 695456797 /nfs/dbraw/zinc/45/67/97/695456797.db2.gz PCTLNLXIRQGXFL-CWRNSKLLSA-N 2 2 345.472 1.757 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)CC[N@@H+]1CCO ZINC000948061638 696012183 /nfs/dbraw/zinc/01/21/83/696012183.db2.gz XNCNFBJVHCEFMU-ZFWWWQNUSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)C[NH+]2CCc3sccc3C2)CC[N@H+]1CCO ZINC000948061638 696012188 /nfs/dbraw/zinc/01/21/88/696012188.db2.gz XNCNFBJVHCEFMU-ZFWWWQNUSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)CC[NH+]1CCO ZINC000948061638 696012190 /nfs/dbraw/zinc/01/21/90/696012190.db2.gz XNCNFBJVHCEFMU-ZFWWWQNUSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)CC[NH+]1CCO ZINC000948061638 696012194 /nfs/dbraw/zinc/01/21/94/696012194.db2.gz XNCNFBJVHCEFMU-ZFWWWQNUSA-N 2 2 337.489 1.068 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031267585 696081901 /nfs/dbraw/zinc/08/19/01/696081901.db2.gz MYWFNOFLKJGWNL-OAHLLOKOSA-N 2 2 332.448 1.521 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993491152 696194636 /nfs/dbraw/zinc/19/46/36/696194636.db2.gz VSFNPMUMAOKJNN-GXTWGEPZSA-N 2 2 343.431 1.234 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CCC[N@H+]1CC(=O)N(C)C ZINC000993491152 696194638 /nfs/dbraw/zinc/19/46/38/696194638.db2.gz VSFNPMUMAOKJNN-GXTWGEPZSA-N 2 2 343.431 1.234 20 0 EDADLP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccon1 ZINC000993927387 696446903 /nfs/dbraw/zinc/44/69/03/696446903.db2.gz LWSSPKVJZFZGNI-YOEHRIQHSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccon1 ZINC000993927387 696446904 /nfs/dbraw/zinc/44/69/04/696446904.db2.gz LWSSPKVJZFZGNI-YOEHRIQHSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(CO)cc1 ZINC000994504104 696941941 /nfs/dbraw/zinc/94/19/41/696941941.db2.gz GOABPHZXPOBVIU-YJBOKZPZSA-N 2 2 342.443 1.545 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)O1 ZINC001031434090 697097027 /nfs/dbraw/zinc/09/70/27/697097027.db2.gz WDGQHYHSHRGMID-KDOFPFPSSA-N 2 2 331.460 1.730 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001031674334 697482790 /nfs/dbraw/zinc/48/27/90/697482790.db2.gz IIUFSPVWKSWFAB-PBHICJAKSA-N 2 2 343.475 1.236 20 0 EDADLP CCO[C@@H](CNC(=O)NCCc1cn2cccc(C)c2[nH+]1)C[NH+](C)C ZINC000921170304 697522177 /nfs/dbraw/zinc/52/21/77/697522177.db2.gz KWWJQTYHDAYSEJ-INIZCTEOSA-N 2 2 347.463 1.451 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC001031729306 698050507 /nfs/dbraw/zinc/05/05/07/698050507.db2.gz JOBFPPFWAVRUNB-MRXNPFEDSA-N 2 2 334.464 1.509 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC001031729306 698050512 /nfs/dbraw/zinc/05/05/12/698050512.db2.gz JOBFPPFWAVRUNB-MRXNPFEDSA-N 2 2 334.464 1.509 20 0 EDADLP O=C(NCC1C[NH+](C/C=C/Cl)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032078431 698214999 /nfs/dbraw/zinc/21/49/99/698214999.db2.gz LOBARTIXORANHS-DAFODLJHSA-N 2 2 331.807 1.681 20 0 EDADLP CC(C)[C@H](C(=O)N1CCCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC000943479579 698385277 /nfs/dbraw/zinc/38/52/77/698385277.db2.gz DAKWFJMUBSHRCD-WMLDXEAASA-N 2 2 349.479 1.036 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC000943767012 698820816 /nfs/dbraw/zinc/82/08/16/698820816.db2.gz PTYGXGVYZPRNBT-CJNGLKHVSA-N 2 2 344.463 1.292 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC000943767012 698820823 /nfs/dbraw/zinc/82/08/23/698820823.db2.gz PTYGXGVYZPRNBT-CJNGLKHVSA-N 2 2 344.463 1.292 20 0 EDADLP CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CC2)C1 ZINC000941466149 701552862 /nfs/dbraw/zinc/55/28/62/701552862.db2.gz SJMQEQXBQNSNNO-HNNXBMFYSA-N 2 2 345.491 1.061 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995157553 701564723 /nfs/dbraw/zinc/56/47/23/701564723.db2.gz ZINKGUIBNIFETB-ZBFHGGJFSA-N 2 2 327.432 1.730 20 0 EDADLP C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)O1 ZINC001031773733 699132169 /nfs/dbraw/zinc/13/21/69/699132169.db2.gz ZGACXIHMVNRHBB-WFASDCNBSA-N 2 2 328.416 1.792 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1C[NH+](C[C@@H]3CCCOC3)C1)C2 ZINC001031787775 699244989 /nfs/dbraw/zinc/24/49/89/699244989.db2.gz FOXDPMCOGFQABC-GOEBONIOSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1C[NH+](C[C@@H]3CCCOC3)C1)CC2 ZINC001031787775 699244991 /nfs/dbraw/zinc/24/49/91/699244991.db2.gz FOXDPMCOGFQABC-GOEBONIOSA-N 2 2 346.475 1.298 20 0 EDADLP CCCc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cs1 ZINC000939215654 699387561 /nfs/dbraw/zinc/38/75/61/699387561.db2.gz QQRWOBIDRMKEIG-SWLSCSKDSA-N 2 2 347.488 1.998 20 0 EDADLP O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1C[NH+]1CCCC1 ZINC000069370952 699413488 /nfs/dbraw/zinc/41/34/88/699413488.db2.gz FMLQVDGPWACMGY-IBGZPJMESA-N 2 2 342.443 1.626 20 0 EDADLP O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[NH+]1CCCC1 ZINC000069370952 699413492 /nfs/dbraw/zinc/41/34/92/699413492.db2.gz FMLQVDGPWACMGY-IBGZPJMESA-N 2 2 342.443 1.626 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939411409 699565117 /nfs/dbraw/zinc/56/51/17/699565117.db2.gz DBLDJLKAPMOHCN-XJKSGUPXSA-N 2 2 328.416 1.081 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000939413202 699566268 /nfs/dbraw/zinc/56/62/68/699566268.db2.gz KHSUUCNZEQVMAA-NHYWBVRUSA-N 2 2 340.387 1.125 20 0 EDADLP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cs1 ZINC000939414036 699567119 /nfs/dbraw/zinc/56/71/19/699567119.db2.gz UMTGVLLQJFVKJH-SMDDNHRTSA-N 2 2 333.461 1.396 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)s1 ZINC000939534334 699675164 /nfs/dbraw/zinc/67/51/64/699675164.db2.gz JACMMCCQOSVHFT-ABAIWWIYSA-N 2 2 333.461 1.364 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000939535354 699676450 /nfs/dbraw/zinc/67/64/50/699676450.db2.gz QEEZVRZMDYOEKL-LRDDRELGSA-N 2 2 348.397 1.878 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939540858 699681999 /nfs/dbraw/zinc/68/19/99/699681999.db2.gz KFJJYRYUTGFAPQ-TZMCWYRMSA-N 2 2 330.436 1.058 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000939541409 699682106 /nfs/dbraw/zinc/68/21/06/699682106.db2.gz NNZLEAYPHMVHPO-TZMCWYRMSA-N 2 2 330.436 1.058 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)cn1 ZINC000939624340 699762064 /nfs/dbraw/zinc/76/20/64/699762064.db2.gz WVBPSBCNURGVRG-WBMJQRKESA-N 2 2 343.431 1.301 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)cn1 ZINC000939641550 699771143 /nfs/dbraw/zinc/77/11/43/699771143.db2.gz FWORCHVHZATQSH-SUMWQHHRSA-N 2 2 342.447 1.088 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000939643751 699783899 /nfs/dbraw/zinc/78/38/99/699783899.db2.gz WCJXJFXKTZNSTN-GUYCJALGSA-N 2 2 345.422 1.524 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939643885 699784163 /nfs/dbraw/zinc/78/41/63/699784163.db2.gz XUFWACGETSSAHP-DOMZBBRYSA-N 2 2 347.488 1.754 20 0 EDADLP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001031844439 699872705 /nfs/dbraw/zinc/87/27/05/699872705.db2.gz ORPFTELPKOUPNM-HNNXBMFYSA-N 2 2 342.443 1.811 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)sn1 ZINC001031850664 699945686 /nfs/dbraw/zinc/94/56/86/699945686.db2.gz JMWSOYNUCHGSFC-UHFFFAOYSA-N 2 2 341.440 1.961 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)o1 ZINC000939812914 699960414 /nfs/dbraw/zinc/96/04/14/699960414.db2.gz WSKQRJPCUWRFTD-GJZGRUSLSA-N 2 2 349.479 1.445 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)on1 ZINC000940145060 700275287 /nfs/dbraw/zinc/27/52/87/700275287.db2.gz RSKITPBSCDWJRM-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000940159481 700292221 /nfs/dbraw/zinc/29/22/21/700292221.db2.gz KSEKWFGLJIQVSX-RRFJBIMHSA-N 2 2 332.448 1.520 20 0 EDADLP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000940159481 700292223 /nfs/dbraw/zinc/29/22/23/700292223.db2.gz KSEKWFGLJIQVSX-RRFJBIMHSA-N 2 2 332.448 1.520 20 0 EDADLP CCc1nocc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995167047 701633176 /nfs/dbraw/zinc/63/31/76/701633176.db2.gz JIVGYFAWABCQFN-DZGCQCFKSA-N 2 2 345.447 1.588 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940228432 700393190 /nfs/dbraw/zinc/39/31/90/700393190.db2.gz MOZWLYCXXKFRMD-UHFFFAOYSA-N 2 2 348.491 1.750 20 0 EDADLP COc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)sn1 ZINC000940356294 700518195 /nfs/dbraw/zinc/51/81/95/700518195.db2.gz MPHWUQOAZDWIJE-UHFFFAOYSA-N 2 2 349.460 1.588 20 0 EDADLP CC1([NH2+]Cc2coc(C3CC3)n2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940354244 700537740 /nfs/dbraw/zinc/53/77/40/700537740.db2.gz YJONXXMQJKDCGI-UHFFFAOYSA-N 2 2 343.431 1.989 20 0 EDADLP Cc1nc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c(C)o1 ZINC000940392488 700569370 /nfs/dbraw/zinc/56/93/70/700569370.db2.gz CAYMMSAHMVIXIH-UHFFFAOYSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000940426031 700619275 /nfs/dbraw/zinc/61/92/75/700619275.db2.gz COXRJFFWAQIGFR-UHFFFAOYSA-N 2 2 348.476 1.293 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000940426233 700619526 /nfs/dbraw/zinc/61/95/26/700619526.db2.gz LBRASFPMHNMMBK-UHFFFAOYSA-N 2 2 347.488 1.898 20 0 EDADLP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000940441404 700642595 /nfs/dbraw/zinc/64/25/95/700642595.db2.gz HGDDPINGAFZTGZ-UHFFFAOYSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000940482572 700670373 /nfs/dbraw/zinc/67/03/73/700670373.db2.gz FJPOPMUIOZGJEN-UHFFFAOYSA-N 2 2 328.420 1.152 20 0 EDADLP CC1([NH2+]Cc2nc(C3CC3)no2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482896 700670932 /nfs/dbraw/zinc/67/09/32/700670932.db2.gz YNWMCMLVGFWATO-UHFFFAOYSA-N 2 2 344.419 1.314 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccn3)CC2(C)C)C1 ZINC000940648835 700811377 /nfs/dbraw/zinc/81/13/77/700811377.db2.gz IOCDFBNJNBHHBK-DLBZAZTESA-N 2 2 346.475 1.129 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccn3)CC2(C)C)C1 ZINC000940648835 700811380 /nfs/dbraw/zinc/81/13/80/700811380.db2.gz IOCDFBNJNBHHBK-DLBZAZTESA-N 2 2 346.475 1.129 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)CC2(C)C)C1 ZINC000940648835 700811383 /nfs/dbraw/zinc/81/13/83/700811383.db2.gz IOCDFBNJNBHHBK-DLBZAZTESA-N 2 2 346.475 1.129 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)CC2(C)C)C1 ZINC000940648835 700811385 /nfs/dbraw/zinc/81/13/85/700811385.db2.gz IOCDFBNJNBHHBK-DLBZAZTESA-N 2 2 346.475 1.129 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCOC2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001031968913 701675091 /nfs/dbraw/zinc/67/50/91/701675091.db2.gz PLTMVQOOAZYRPR-ZFWWWQNUSA-N 2 2 332.448 1.304 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)n1 ZINC000940756578 700892107 /nfs/dbraw/zinc/89/21/07/700892107.db2.gz CCASCAFYDNXDTP-YUELXQCFSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)n1 ZINC000940756578 700892108 /nfs/dbraw/zinc/89/21/08/700892108.db2.gz CCASCAFYDNXDTP-YUELXQCFSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)n1 ZINC000940756578 700892109 /nfs/dbraw/zinc/89/21/09/700892109.db2.gz CCASCAFYDNXDTP-YUELXQCFSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)n1 ZINC000940756578 700892111 /nfs/dbraw/zinc/89/21/11/700892111.db2.gz CCASCAFYDNXDTP-YUELXQCFSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)O)CC2(C)C)c[nH+]1 ZINC000940836306 700934351 /nfs/dbraw/zinc/93/43/51/700934351.db2.gz IMIUROXOSRDQMC-LSDHHAIUSA-N 2 2 336.480 1.524 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](C[C@H](C)O)CC2(C)C)c[nH+]1 ZINC000940836306 700934352 /nfs/dbraw/zinc/93/43/52/700934352.db2.gz IMIUROXOSRDQMC-LSDHHAIUSA-N 2 2 336.480 1.524 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000940851592 700952274 /nfs/dbraw/zinc/95/22/74/700952274.db2.gz ZBZHKIQXCUCRFJ-GJZGRUSLSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000940851592 700952276 /nfs/dbraw/zinc/95/22/76/700952276.db2.gz ZBZHKIQXCUCRFJ-GJZGRUSLSA-N 2 2 334.464 1.045 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)C2)no1 ZINC000940893111 700968485 /nfs/dbraw/zinc/96/84/85/700968485.db2.gz NUMWZJVIXONHTI-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)C2)no1 ZINC000940893111 700968486 /nfs/dbraw/zinc/96/84/86/700968486.db2.gz NUMWZJVIXONHTI-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001031919283 701045467 /nfs/dbraw/zinc/04/54/67/701045467.db2.gz QRSCLYKIXACHHP-OAHLLOKOSA-N 2 2 336.505 1.813 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001031919283 701045468 /nfs/dbraw/zinc/04/54/68/701045468.db2.gz QRSCLYKIXACHHP-OAHLLOKOSA-N 2 2 336.505 1.813 20 0 EDADLP COc1ccnc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001031921060 701060805 /nfs/dbraw/zinc/06/08/05/701060805.db2.gz GUXSIKUYKZMHEI-HOCLYGCPSA-N 2 2 346.475 1.369 20 0 EDADLP COc1ccnc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001031921060 701060807 /nfs/dbraw/zinc/06/08/07/701060807.db2.gz GUXSIKUYKZMHEI-HOCLYGCPSA-N 2 2 346.475 1.369 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C(C)(C)C2)n1 ZINC000941032248 701073699 /nfs/dbraw/zinc/07/36/99/701073699.db2.gz GQCFYDKAETXNBB-HIFRSBDPSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C(C)(C)C2)n1 ZINC000941032248 701073703 /nfs/dbraw/zinc/07/37/03/701073703.db2.gz GQCFYDKAETXNBB-HIFRSBDPSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C(C)(C)C2)n1 ZINC000941032248 701073706 /nfs/dbraw/zinc/07/37/06/701073706.db2.gz GQCFYDKAETXNBB-HIFRSBDPSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C(C)(C)C2)n1 ZINC000941032248 701073708 /nfs/dbraw/zinc/07/37/08/701073708.db2.gz GQCFYDKAETXNBB-HIFRSBDPSA-N 2 2 349.479 1.579 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cn1 ZINC000945806764 701196553 /nfs/dbraw/zinc/19/65/53/701196553.db2.gz FMOJOFDWHWPMKP-HOCLYGCPSA-N 2 2 343.431 1.314 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cn1 ZINC000945806764 701196557 /nfs/dbraw/zinc/19/65/57/701196557.db2.gz FMOJOFDWHWPMKP-HOCLYGCPSA-N 2 2 343.431 1.314 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1 ZINC000945809234 701201382 /nfs/dbraw/zinc/20/13/82/701201382.db2.gz SEEBJUXDOATKGD-MAUKXSAKSA-N 2 2 342.443 1.919 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1 ZINC000945809234 701201385 /nfs/dbraw/zinc/20/13/85/701201385.db2.gz SEEBJUXDOATKGD-MAUKXSAKSA-N 2 2 342.443 1.919 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCOC2)CC1(C)C ZINC000941167130 701378044 /nfs/dbraw/zinc/37/80/44/701378044.db2.gz RRBAULAJKPEIOU-HOCLYGCPSA-N 2 2 334.464 1.216 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)CC1(C)C ZINC000941167130 701378046 /nfs/dbraw/zinc/37/80/46/701378046.db2.gz RRBAULAJKPEIOU-HOCLYGCPSA-N 2 2 334.464 1.216 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)CC1(C)C ZINC000941167503 701378597 /nfs/dbraw/zinc/37/85/97/701378597.db2.gz WFEBLRGMWYMUAJ-DLBZAZTESA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC1(C)C ZINC000941167503 701378598 /nfs/dbraw/zinc/37/85/98/701378598.db2.gz WFEBLRGMWYMUAJ-DLBZAZTESA-N 2 2 348.491 1.748 20 0 EDADLP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031931550 701381407 /nfs/dbraw/zinc/38/14/07/701381407.db2.gz KTFYQJVKSLEVFZ-OAHLLOKOSA-N 2 2 343.431 1.299 20 0 EDADLP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941247337 701424186 /nfs/dbraw/zinc/42/41/86/701424186.db2.gz IWRIBFZNOMKDCF-INIZCTEOSA-N 2 2 344.463 1.076 20 0 EDADLP Cn1cc(CC[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941247337 701424187 /nfs/dbraw/zinc/42/41/87/701424187.db2.gz IWRIBFZNOMKDCF-INIZCTEOSA-N 2 2 344.463 1.076 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248294 701424647 /nfs/dbraw/zinc/42/46/47/701424647.db2.gz VFGLXLUCLJVSSS-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248294 701424648 /nfs/dbraw/zinc/42/46/48/701424648.db2.gz VFGLXLUCLJVSSS-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP CCc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)o1 ZINC000995148108 701536161 /nfs/dbraw/zinc/53/61/61/701536161.db2.gz AGXONUIBDUGGKI-UONOGXRCSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000995152223 701549311 /nfs/dbraw/zinc/54/93/11/701549311.db2.gz JRZZVLUAXCPYOX-ZFWWWQNUSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)ncn1 ZINC001032129083 701808329 /nfs/dbraw/zinc/80/83/29/701808329.db2.gz QCCPLMLNXQZRRL-WMZOPIPTSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnoc2C)C1 ZINC000995180298 701946097 /nfs/dbraw/zinc/94/60/97/701946097.db2.gz DXXVXXSPVJEBEZ-DZGCQCFKSA-N 2 2 331.420 1.632 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999194027 706627835 /nfs/dbraw/zinc/62/78/35/706627835.db2.gz KSCJJYKKSZALPK-MGPQQGTHSA-N 2 2 335.452 1.053 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999194027 706627837 /nfs/dbraw/zinc/62/78/37/706627837.db2.gz KSCJJYKKSZALPK-MGPQQGTHSA-N 2 2 335.452 1.053 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001031976849 701957676 /nfs/dbraw/zinc/95/76/76/701957676.db2.gz UDCROTKSIQOAEL-YOEHRIQHSA-N 2 2 347.507 1.384 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001031976849 701957680 /nfs/dbraw/zinc/95/76/80/701957680.db2.gz UDCROTKSIQOAEL-YOEHRIQHSA-N 2 2 347.507 1.384 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944442217 702022975 /nfs/dbraw/zinc/02/29/75/702022975.db2.gz CSPVVPBNHXTWNQ-ABAIWWIYSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944442217 702022982 /nfs/dbraw/zinc/02/29/82/702022982.db2.gz CSPVVPBNHXTWNQ-ABAIWWIYSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944443100 702025680 /nfs/dbraw/zinc/02/56/80/702025680.db2.gz GCDVUCBDRWFCMZ-BZNIZROVSA-N 2 2 345.447 1.892 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944443100 702025685 /nfs/dbraw/zinc/02/56/85/702025685.db2.gz GCDVUCBDRWFCMZ-BZNIZROVSA-N 2 2 345.447 1.892 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944443102 702026256 /nfs/dbraw/zinc/02/62/56/702026256.db2.gz GCDVUCBDRWFCMZ-ZBEGNZNMSA-N 2 2 345.447 1.892 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944443102 702026262 /nfs/dbraw/zinc/02/62/62/702026262.db2.gz GCDVUCBDRWFCMZ-ZBEGNZNMSA-N 2 2 345.447 1.892 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995878322 702184371 /nfs/dbraw/zinc/18/43/71/702184371.db2.gz FDJCTRVMXSLBRQ-GJZGRUSLSA-N 2 2 349.479 1.579 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995878322 702184378 /nfs/dbraw/zinc/18/43/78/702184378.db2.gz FDJCTRVMXSLBRQ-GJZGRUSLSA-N 2 2 349.479 1.579 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995878327 702184481 /nfs/dbraw/zinc/18/44/81/702184481.db2.gz FDJCTRVMXSLBRQ-HUUCEWRRSA-N 2 2 349.479 1.579 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995878327 702184485 /nfs/dbraw/zinc/18/44/85/702184485.db2.gz FDJCTRVMXSLBRQ-HUUCEWRRSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)s1 ZINC000944101006 702214137 /nfs/dbraw/zinc/21/41/37/702214137.db2.gz VELQGOBFZBLVRH-WBMJQRKESA-N 2 2 347.488 1.754 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)s1 ZINC000944101006 702214140 /nfs/dbraw/zinc/21/41/40/702214140.db2.gz VELQGOBFZBLVRH-WBMJQRKESA-N 2 2 347.488 1.754 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCOC2CCC2)C1 ZINC001031987046 702411396 /nfs/dbraw/zinc/41/13/96/702411396.db2.gz QOPXVHNQOGQVSL-HZPDHXFCSA-N 2 2 332.448 1.141 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000996300240 702691773 /nfs/dbraw/zinc/69/17/73/702691773.db2.gz KSAODZFITQVZLW-STQMWFEESA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000996300240 702691775 /nfs/dbraw/zinc/69/17/75/702691775.db2.gz KSAODZFITQVZLW-STQMWFEESA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)C1 ZINC000996300397 702691944 /nfs/dbraw/zinc/69/19/44/702691944.db2.gz LKIFKSMHKVUICS-STQMWFEESA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3nncs3)C(C)(C)C2)C1 ZINC000996300397 702691945 /nfs/dbraw/zinc/69/19/45/702691945.db2.gz LKIFKSMHKVUICS-STQMWFEESA-N 2 2 337.493 1.207 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCc1ccns1 ZINC000996356773 702733995 /nfs/dbraw/zinc/73/39/95/702733995.db2.gz SICFJCHYLPBYJW-AWEZNQCLSA-N 2 2 333.461 1.478 20 0 EDADLP CCC[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1(C)C ZINC000996373135 702740424 /nfs/dbraw/zinc/74/04/24/702740424.db2.gz DHBAXGAWXYEDPV-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258955 702768916 /nfs/dbraw/zinc/76/89/16/702768916.db2.gz RASRANBOJIPWBB-HOCLYGCPSA-N 2 2 332.448 1.630 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258955 702768919 /nfs/dbraw/zinc/76/89/19/702768919.db2.gz RASRANBOJIPWBB-HOCLYGCPSA-N 2 2 332.448 1.630 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)o1 ZINC000942260602 702770165 /nfs/dbraw/zinc/77/01/65/702770165.db2.gz ZAJRWKZNTZLGGC-HIFRSBDPSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)o1 ZINC000942260602 702770166 /nfs/dbraw/zinc/77/01/66/702770166.db2.gz ZAJRWKZNTZLGGC-HIFRSBDPSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC2(C)C)o1 ZINC000996449461 702794284 /nfs/dbraw/zinc/79/42/84/702794284.db2.gz PKQAOXPKHZLEQW-OAHLLOKOSA-N 2 2 349.479 1.437 20 0 EDADLP CC1(C)CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1[NH2+]CCO ZINC000996475564 702808036 /nfs/dbraw/zinc/80/80/36/702808036.db2.gz LNOOCJQYMRKQRU-MRXNPFEDSA-N 2 2 328.416 1.305 20 0 EDADLP Cn1ccc(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2(C)C)n1 ZINC000996512221 702831608 /nfs/dbraw/zinc/83/16/08/702831608.db2.gz BXNUBJOVPUSGSM-HNNXBMFYSA-N 2 2 344.463 1.448 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n1 ZINC000996518359 702853909 /nfs/dbraw/zinc/85/39/09/702853909.db2.gz DJACTTVMHILLNL-JSGCOSHPSA-N 2 2 347.463 1.361 20 0 EDADLP Cc1conc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996611586 702916768 /nfs/dbraw/zinc/91/67/68/702916768.db2.gz MXPLEDXJJWVSHF-HNNXBMFYSA-N 2 2 331.420 1.515 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)[nH]1 ZINC000996613625 702918744 /nfs/dbraw/zinc/91/87/44/702918744.db2.gz WIANWEILCFSRTF-CQSZACIVSA-N 2 2 348.495 1.351 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996615213 702922762 /nfs/dbraw/zinc/92/27/62/702922762.db2.gz POVOEDNVAXXGGU-KGLIPLIRSA-N 2 2 349.479 1.471 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996615213 702922763 /nfs/dbraw/zinc/92/27/63/702922763.db2.gz POVOEDNVAXXGGU-KGLIPLIRSA-N 2 2 349.479 1.471 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CCO1 ZINC000996650317 702940327 /nfs/dbraw/zinc/94/03/27/702940327.db2.gz HUMKPLDKVVMPBD-HUUCEWRRSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CCO1 ZINC000996650317 702940329 /nfs/dbraw/zinc/94/03/29/702940329.db2.gz HUMKPLDKVVMPBD-HUUCEWRRSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CCO1 ZINC000996650313 702940354 /nfs/dbraw/zinc/94/03/54/702940354.db2.gz HUMKPLDKVVMPBD-CABCVRRESA-N 2 2 334.464 1.738 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CCO1 ZINC000996650313 702940358 /nfs/dbraw/zinc/94/03/58/702940358.db2.gz HUMKPLDKVVMPBD-CABCVRRESA-N 2 2 334.464 1.738 20 0 EDADLP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000996684538 702982575 /nfs/dbraw/zinc/98/25/75/702982575.db2.gz OQODCWKHJFLMBG-OKEQZYBDSA-N 2 2 346.475 1.909 20 0 EDADLP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000996684538 702982577 /nfs/dbraw/zinc/98/25/77/702982577.db2.gz OQODCWKHJFLMBG-OKEQZYBDSA-N 2 2 346.475 1.909 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000995255733 703000062 /nfs/dbraw/zinc/00/00/62/703000062.db2.gz XKWRSSNCKHLGRA-DLBZAZTESA-N 2 2 342.443 1.966 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)sn1 ZINC000996713410 703008582 /nfs/dbraw/zinc/00/85/82/703008582.db2.gz IVNWEMFNWHVNDB-CYBMUJFWSA-N 2 2 349.460 1.375 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nccs2)C[C@@H]1C ZINC000942517860 703011917 /nfs/dbraw/zinc/01/19/17/703011917.db2.gz HUBOJUDDGBXFOI-GXTWGEPZSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2nccs2)C[C@@H]1C ZINC000942517860 703011919 /nfs/dbraw/zinc/01/19/19/703011919.db2.gz HUBOJUDDGBXFOI-GXTWGEPZSA-N 2 2 333.461 1.675 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)o1 ZINC000942518458 703018966 /nfs/dbraw/zinc/01/89/66/703018966.db2.gz RXMMPXDIEMBQAJ-CZUORRHYSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)o1 ZINC000942518458 703018967 /nfs/dbraw/zinc/01/89/67/703018967.db2.gz RXMMPXDIEMBQAJ-CZUORRHYSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)o1 ZINC000942518529 703019920 /nfs/dbraw/zinc/01/99/20/703019920.db2.gz STTCMYKBEHMNPI-JSGCOSHPSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)o1 ZINC000942518529 703019922 /nfs/dbraw/zinc/01/99/22/703019922.db2.gz STTCMYKBEHMNPI-JSGCOSHPSA-N 2 2 346.435 1.164 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C[C@@H]1C ZINC000942518869 703020967 /nfs/dbraw/zinc/02/09/67/703020967.db2.gz YMHZJTFXIMKRIW-GOEBONIOSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C)cn2)C[C@@H]1C ZINC000942518869 703020971 /nfs/dbraw/zinc/02/09/71/703020971.db2.gz YMHZJTFXIMKRIW-GOEBONIOSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC([NH2+]Cc3ccon3)CC1)C2 ZINC000996761248 703049490 /nfs/dbraw/zinc/04/94/90/703049490.db2.gz VNHUHDHYFNXHQP-CYBMUJFWSA-N 2 2 343.431 1.592 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996762389 703054321 /nfs/dbraw/zinc/05/43/21/703054321.db2.gz WNFLMUMHUPBOMD-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942556176 703070138 /nfs/dbraw/zinc/07/01/38/703070138.db2.gz WLTMVIWZUBHVRO-HIFRSBDPSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)on1 ZINC000996834309 703121997 /nfs/dbraw/zinc/12/19/97/703121997.db2.gz NHHPNMGOHWBUJL-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC000996979679 703234870 /nfs/dbraw/zinc/23/48/70/703234870.db2.gz OGVUYWIBTKYZOQ-ZBFHGGJFSA-N 2 2 331.464 1.288 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC000996979679 703234874 /nfs/dbraw/zinc/23/48/74/703234874.db2.gz OGVUYWIBTKYZOQ-ZBFHGGJFSA-N 2 2 331.464 1.288 20 0 EDADLP CN(C)c1cccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000997042606 703292293 /nfs/dbraw/zinc/29/22/93/703292293.db2.gz RJRJJWJYMYUMOT-UHFFFAOYSA-N 2 2 341.459 1.799 20 0 EDADLP CCc1noc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)n1 ZINC000997050283 703298680 /nfs/dbraw/zinc/29/86/80/703298680.db2.gz OTTVYBXGHDGJTG-ZDUSSCGKSA-N 2 2 346.435 1.560 20 0 EDADLP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000997047603 703301496 /nfs/dbraw/zinc/30/14/96/703301496.db2.gz AVOJLVRFQWVTPF-AWEZNQCLSA-N 2 2 342.447 1.713 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000997083132 703321641 /nfs/dbraw/zinc/32/16/41/703321641.db2.gz HTCBUXWSRFUIJD-CQSZACIVSA-N 2 2 344.463 1.145 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000997083132 703321642 /nfs/dbraw/zinc/32/16/42/703321642.db2.gz HTCBUXWSRFUIJD-CQSZACIVSA-N 2 2 344.463 1.145 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821658 703330122 /nfs/dbraw/zinc/33/01/22/703330122.db2.gz FZDDVSUAICETSB-UKRRQHHQSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821658 703330124 /nfs/dbraw/zinc/33/01/24/703330124.db2.gz FZDDVSUAICETSB-UKRRQHHQSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821658 703330126 /nfs/dbraw/zinc/33/01/26/703330126.db2.gz FZDDVSUAICETSB-UKRRQHHQSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821658 703330127 /nfs/dbraw/zinc/33/01/27/703330127.db2.gz FZDDVSUAICETSB-UKRRQHHQSA-N 2 2 349.479 1.437 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CC[NH+](Cc3cnon3)CC2)CC[N@@H+]1C ZINC000997094852 703334176 /nfs/dbraw/zinc/33/41/76/703334176.db2.gz ZQMAXBGCLBSFHK-XOKHGSTOSA-N 2 2 349.479 1.517 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CC[NH+](Cc3cnon3)CC2)CC[N@H+]1C ZINC000997094852 703334179 /nfs/dbraw/zinc/33/41/79/703334179.db2.gz ZQMAXBGCLBSFHK-XOKHGSTOSA-N 2 2 349.479 1.517 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032053092 703402373 /nfs/dbraw/zinc/40/23/73/703402373.db2.gz NXTTURVXHJSCCU-UHFFFAOYSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407535 703433140 /nfs/dbraw/zinc/43/31/40/703433140.db2.gz HPPITGLBYFMILP-HRCADAONSA-N 2 2 346.500 1.578 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407535 703433141 /nfs/dbraw/zinc/43/31/41/703433141.db2.gz HPPITGLBYFMILP-HRCADAONSA-N 2 2 346.500 1.578 20 0 EDADLP CCn1nncc1C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997183145 703468606 /nfs/dbraw/zinc/46/86/06/703468606.db2.gz PGBHCYPXPBRWNE-UHFFFAOYSA-N 2 2 345.451 1.080 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000997220643 703498817 /nfs/dbraw/zinc/49/88/17/703498817.db2.gz DSLSGDHGFKUXRV-INIZCTEOSA-N 2 2 334.464 1.800 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1)c1csnn1 ZINC000997237987 703524782 /nfs/dbraw/zinc/52/47/82/703524782.db2.gz SHQIOTSABLYOMG-LBPRGKRZSA-N 2 2 348.476 1.546 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997238784 703525741 /nfs/dbraw/zinc/52/57/41/703525741.db2.gz YNLWGVNBGZSYME-KRWDZBQOSA-N 2 2 334.464 1.502 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1 ZINC001032437451 703605688 /nfs/dbraw/zinc/60/56/88/703605688.db2.gz FHAUIUIZEMDRDN-YESZJQIVSA-N 2 2 332.448 1.587 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCCO1 ZINC001032437451 703605690 /nfs/dbraw/zinc/60/56/90/703605690.db2.gz FHAUIUIZEMDRDN-YESZJQIVSA-N 2 2 332.448 1.587 20 0 EDADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccnc1 ZINC001032454364 703641181 /nfs/dbraw/zinc/64/11/81/703641181.db2.gz OEBNPZLVOSUVBI-BZSNNMDCSA-N 2 2 328.460 1.741 20 0 EDADLP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccnc1 ZINC001032454364 703641182 /nfs/dbraw/zinc/64/11/82/703641182.db2.gz OEBNPZLVOSUVBI-BZSNNMDCSA-N 2 2 328.460 1.741 20 0 EDADLP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032454364 703641183 /nfs/dbraw/zinc/64/11/83/703641183.db2.gz OEBNPZLVOSUVBI-BZSNNMDCSA-N 2 2 328.460 1.741 20 0 EDADLP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032454364 703641184 /nfs/dbraw/zinc/64/11/84/703641184.db2.gz OEBNPZLVOSUVBI-BZSNNMDCSA-N 2 2 328.460 1.741 20 0 EDADLP CN(C)c1cc[nH+]c(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000921626370 703768612 /nfs/dbraw/zinc/76/86/12/703768612.db2.gz AKXGQIGJZJSOOR-AWEZNQCLSA-N 2 2 340.431 1.621 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001033074130 704117073 /nfs/dbraw/zinc/11/70/73/704117073.db2.gz WBQIRIUAJYYWTO-DOTOQJQBSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)on1 ZINC001033074130 704117075 /nfs/dbraw/zinc/11/70/75/704117075.db2.gz WBQIRIUAJYYWTO-DOTOQJQBSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001033074130 704117077 /nfs/dbraw/zinc/11/70/77/704117077.db2.gz WBQIRIUAJYYWTO-DOTOQJQBSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001033074130 704117080 /nfs/dbraw/zinc/11/70/80/704117080.db2.gz WBQIRIUAJYYWTO-DOTOQJQBSA-N 2 2 334.464 1.889 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082177 704137978 /nfs/dbraw/zinc/13/79/78/704137978.db2.gz OTPUCMLSTRFPGP-JKSUJKDBSA-N 2 2 332.448 1.358 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082177 704137979 /nfs/dbraw/zinc/13/79/79/704137979.db2.gz OTPUCMLSTRFPGP-JKSUJKDBSA-N 2 2 332.448 1.358 20 0 EDADLP CCO[C@@H](C[NH2+]Cc1cccc(NS(C)(=O)=O)c1)C[NH+](C)C ZINC000922755886 704315621 /nfs/dbraw/zinc/31/56/21/704315621.db2.gz BRMGEKIZJNVIFM-HNNXBMFYSA-N 2 2 329.466 1.114 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004425453 704406309 /nfs/dbraw/zinc/40/63/09/704406309.db2.gz OSEVPROSRPMGML-GDBMZVCRSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004425453 704406310 /nfs/dbraw/zinc/40/63/10/704406310.db2.gz OSEVPROSRPMGML-GDBMZVCRSA-N 2 2 334.464 1.426 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCOC1 ZINC001032535038 704567409 /nfs/dbraw/zinc/56/74/09/704567409.db2.gz PMWWYTACWACBCR-PMPSAXMXSA-N 2 2 332.448 1.064 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCOC1 ZINC001032535038 704567411 /nfs/dbraw/zinc/56/74/11/704567411.db2.gz PMWWYTACWACBCR-PMPSAXMXSA-N 2 2 332.448 1.064 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCCO1 ZINC001032534974 704567545 /nfs/dbraw/zinc/56/75/45/704567545.db2.gz NJWMPAKQDFSALX-JYJNAYRXSA-N 2 2 332.448 1.207 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCCO1 ZINC001032534974 704567549 /nfs/dbraw/zinc/56/75/49/704567549.db2.gz NJWMPAKQDFSALX-JYJNAYRXSA-N 2 2 332.448 1.207 20 0 EDADLP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)o1 ZINC000997739145 704636319 /nfs/dbraw/zinc/63/63/19/704636319.db2.gz SBZNPLJAFUYFAF-UHFFFAOYSA-N 2 2 345.447 1.976 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000997832094 704750533 /nfs/dbraw/zinc/75/05/33/704750533.db2.gz YUTKCRYYTJWZOK-KRWDZBQOSA-N 2 2 349.479 1.300 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944945512 704798571 /nfs/dbraw/zinc/79/85/71/704798571.db2.gz RQTTVDKRNNUDNF-FUHWJXTLSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944945512 704798573 /nfs/dbraw/zinc/79/85/73/704798573.db2.gz RQTTVDKRNNUDNF-FUHWJXTLSA-N 2 2 347.507 1.886 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1C ZINC000944965131 704834407 /nfs/dbraw/zinc/83/44/07/704834407.db2.gz QQGMWNUYRVUTSR-SUMWQHHRSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1C ZINC000944965131 704834414 /nfs/dbraw/zinc/83/44/14/704834414.db2.gz QQGMWNUYRVUTSR-SUMWQHHRSA-N 2 2 345.422 1.752 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997942620 705060801 /nfs/dbraw/zinc/06/08/01/705060801.db2.gz JQQOHVZEZGMCJL-IBGZPJMESA-N 2 2 349.519 1.726 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997942620 705060805 /nfs/dbraw/zinc/06/08/05/705060805.db2.gz JQQOHVZEZGMCJL-IBGZPJMESA-N 2 2 349.519 1.726 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2nnc(C)[nH]2)CC1 ZINC000997948171 705069874 /nfs/dbraw/zinc/06/98/74/705069874.db2.gz GSJDZEYHLVHJRC-JKSUJKDBSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)CC1 ZINC000997948171 705069881 /nfs/dbraw/zinc/06/98/81/705069881.db2.gz GSJDZEYHLVHJRC-JKSUJKDBSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000997948171 705069886 /nfs/dbraw/zinc/06/98/86/705069886.db2.gz GSJDZEYHLVHJRC-JKSUJKDBSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000997948171 705069894 /nfs/dbraw/zinc/06/98/94/705069894.db2.gz GSJDZEYHLVHJRC-JKSUJKDBSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nncn2C)CC1 ZINC000997949743 705075717 /nfs/dbraw/zinc/07/57/17/705075717.db2.gz OIIXSXAHFLYXAM-HZPDHXFCSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nncn2C)CC1 ZINC000997949743 705075719 /nfs/dbraw/zinc/07/57/19/705075719.db2.gz OIIXSXAHFLYXAM-HZPDHXFCSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2nncn2C)CC1 ZINC000997949743 705075720 /nfs/dbraw/zinc/07/57/20/705075720.db2.gz OIIXSXAHFLYXAM-HZPDHXFCSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nncn2C)CC1 ZINC000997949743 705075723 /nfs/dbraw/zinc/07/57/23/705075723.db2.gz OIIXSXAHFLYXAM-HZPDHXFCSA-N 2 2 348.495 1.112 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)[nH]1 ZINC000997953733 705082937 /nfs/dbraw/zinc/08/29/37/705082937.db2.gz YOEYSKDHKQTZIX-ZDUSSCGKSA-N 2 2 345.451 1.289 20 0 EDADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998046104 705242277 /nfs/dbraw/zinc/24/22/77/705242277.db2.gz MPEOAJAJDNTWSM-HOTGVXAUSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998046104 705242283 /nfs/dbraw/zinc/24/22/83/705242283.db2.gz MPEOAJAJDNTWSM-HOTGVXAUSA-N 2 2 334.464 1.141 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998071681 705289079 /nfs/dbraw/zinc/28/90/79/705289079.db2.gz LIDIBJOPLLOFBJ-CVEARBPZSA-N 2 2 346.475 1.694 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1)c1cnccn1 ZINC000998222720 705548938 /nfs/dbraw/zinc/54/89/38/705548938.db2.gz KHMGFTAXUUOYPZ-AWEZNQCLSA-N 2 2 342.447 1.342 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+][C@@H](C)c2ncccn2)CC1 ZINC000998245332 705588512 /nfs/dbraw/zinc/58/85/12/705588512.db2.gz SPNPKMMKPOADOF-AWEZNQCLSA-N 2 2 342.447 1.640 20 0 EDADLP Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)no1 ZINC000998269304 705652060 /nfs/dbraw/zinc/65/20/60/705652060.db2.gz MBNPKTOBRGPLQE-LBPRGKRZSA-N 2 2 346.435 1.472 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1C)[NH+](C)C ZINC001032632679 705812410 /nfs/dbraw/zinc/81/24/10/705812410.db2.gz GDXDTFDLEKMFRE-BZSNNMDCSA-N 2 2 345.487 1.999 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1C)[NH+](C)C ZINC001032632679 705812414 /nfs/dbraw/zinc/81/24/14/705812414.db2.gz GDXDTFDLEKMFRE-BZSNNMDCSA-N 2 2 345.487 1.999 20 0 EDADLP CC(C)Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000998537003 705970751 /nfs/dbraw/zinc/97/07/51/705970751.db2.gz YOJZSFNGUNVIRC-NRXISQOPSA-N 2 2 349.479 1.441 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]C[C@H]3CCOC3)C2)c[nH+]1 ZINC000998971546 706392501 /nfs/dbraw/zinc/39/25/01/706392501.db2.gz YYOIXNOHPPIAPZ-QQFBHYJXSA-N 2 2 334.464 1.542 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)no1 ZINC000999006824 706426388 /nfs/dbraw/zinc/42/63/88/706426388.db2.gz FWHBSWZIASDRDR-TUBUQKNSSA-N 2 2 343.431 1.521 20 0 EDADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000999007091 706426816 /nfs/dbraw/zinc/42/68/16/706426816.db2.gz IPZDENBJXYBCDJ-KLAILNCOSA-N 2 2 339.443 1.620 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999049290 706469867 /nfs/dbraw/zinc/46/98/67/706469867.db2.gz ZMBUBCDPNRKCJB-DLBZAZTESA-N 2 2 342.443 1.657 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999049363 706470041 /nfs/dbraw/zinc/47/00/41/706470041.db2.gz ZZIQDMKCDHICDL-AWEZNQCLSA-N 2 2 345.451 1.043 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)c1cnccn1 ZINC000999042761 706483456 /nfs/dbraw/zinc/48/34/56/706483456.db2.gz GCQWORUFUFFTHH-UONOGXRCSA-N 2 2 328.420 1.474 20 0 EDADLP CCc1nocc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999045400 706486682 /nfs/dbraw/zinc/48/66/82/706486682.db2.gz OQJGIBBXEOHNCT-AWEZNQCLSA-N 2 2 331.420 1.674 20 0 EDADLP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC000999046501 706487902 /nfs/dbraw/zinc/48/79/02/706487902.db2.gz SXCBVVXEDPHRBZ-MRXNPFEDSA-N 2 2 344.463 1.382 20 0 EDADLP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)c3occc3C[NH+](C)C)C2)o1 ZINC000999320428 706820742 /nfs/dbraw/zinc/82/07/42/706820742.db2.gz VYLMAOHNCUTIKS-UHFFFAOYSA-N 2 2 347.419 1.425 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)[nH]1 ZINC000999354057 706843163 /nfs/dbraw/zinc/84/31/63/706843163.db2.gz OUPBEMUJMAJBPI-ZIAGYGMSSA-N 2 2 348.495 1.493 20 0 EDADLP CCc1noc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999355300 706844756 /nfs/dbraw/zinc/84/47/56/706844756.db2.gz UIJANLWNCYXYRU-KGLIPLIRSA-N 2 2 349.479 1.758 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1)C1CC1 ZINC000999377761 706872216 /nfs/dbraw/zinc/87/22/16/706872216.db2.gz WYPFIJOPGAMXIF-ZBFHGGJFSA-N 2 2 347.463 1.368 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362413 706876226 /nfs/dbraw/zinc/87/62/26/706876226.db2.gz AULAEHWZTVYCTQ-XJKSGUPXSA-N 2 2 335.452 1.053 20 0 EDADLP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000999426682 706933626 /nfs/dbraw/zinc/93/36/26/706933626.db2.gz ZHLFAAOJNPQJID-QDIHITRGSA-N 2 2 343.431 1.599 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000999535785 707036449 /nfs/dbraw/zinc/03/64/49/707036449.db2.gz MEFVUGCUPNIIBD-ZIAGYGMSSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000999537838 707038751 /nfs/dbraw/zinc/03/87/51/707038751.db2.gz UWZWBTFSNZUMHG-UONOGXRCSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999545056 707045459 /nfs/dbraw/zinc/04/54/59/707045459.db2.gz KMQWAQVAJGERBZ-HUUCEWRRSA-N 2 2 343.431 1.523 20 0 EDADLP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999616012 707135077 /nfs/dbraw/zinc/13/50/77/707135077.db2.gz UEMNDXUURRRKAR-ZDUSSCGKSA-N 2 2 326.360 1.112 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC000999690307 707247028 /nfs/dbraw/zinc/24/70/28/707247028.db2.gz WURCMWXTBHTOTC-XUJLQICISA-N 2 2 334.464 1.357 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033265946 707291480 /nfs/dbraw/zinc/29/14/80/707291480.db2.gz LGIYGEBKMZYNCT-HNNXBMFYSA-N 2 2 345.447 1.783 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033265946 707291486 /nfs/dbraw/zinc/29/14/86/707291486.db2.gz LGIYGEBKMZYNCT-HNNXBMFYSA-N 2 2 345.447 1.783 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001033266754 707294697 /nfs/dbraw/zinc/29/46/97/707294697.db2.gz RHKCCDOXPLUHCX-HOTGVXAUSA-N 2 2 342.447 1.584 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001033266754 707294699 /nfs/dbraw/zinc/29/46/99/707294699.db2.gz RHKCCDOXPLUHCX-HOTGVXAUSA-N 2 2 342.447 1.584 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786378 707334665 /nfs/dbraw/zinc/33/46/65/707334665.db2.gz JNMKRQMEXWXTOV-FIDHJVLJSA-N 2 2 346.475 1.075 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786378 707334670 /nfs/dbraw/zinc/33/46/70/707334670.db2.gz JNMKRQMEXWXTOV-FIDHJVLJSA-N 2 2 346.475 1.075 20 0 EDADLP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC000999837912 707408928 /nfs/dbraw/zinc/40/89/28/707408928.db2.gz UAERBWAWKRFGJV-KRWDZBQOSA-N 2 2 344.463 1.313 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)sn1 ZINC000999839150 707411359 /nfs/dbraw/zinc/41/13/59/707411359.db2.gz ZAOBZFCOENUFSZ-CYBMUJFWSA-N 2 2 349.460 1.519 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)n1)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004848478 707447049 /nfs/dbraw/zinc/44/70/49/707447049.db2.gz PJYWIHUGIMTIPV-DZGCQCFKSA-N 2 2 345.451 1.030 20 0 EDADLP C[C@@H]([NH2+]Cc1cnns1)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004849020 707451371 /nfs/dbraw/zinc/45/13/71/707451371.db2.gz QUQNZFIIILEUSD-TZMCWYRMSA-N 2 2 348.476 1.753 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)on1 ZINC001033198099 707460081 /nfs/dbraw/zinc/46/00/81/707460081.db2.gz KJZGLASLUNPZAF-UKRRQHHQSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)on1 ZINC001033198099 707460084 /nfs/dbraw/zinc/46/00/84/707460084.db2.gz KJZGLASLUNPZAF-UKRRQHHQSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)on1 ZINC001033198099 707460086 /nfs/dbraw/zinc/46/00/86/707460086.db2.gz KJZGLASLUNPZAF-UKRRQHHQSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)on1 ZINC001033198099 707460090 /nfs/dbraw/zinc/46/00/90/707460090.db2.gz KJZGLASLUNPZAF-UKRRQHHQSA-N 2 2 336.436 1.200 20 0 EDADLP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC000999835937 707470246 /nfs/dbraw/zinc/47/02/46/707470246.db2.gz JWESXQRVNQYFEE-KRWDZBQOSA-N 2 2 327.432 1.757 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3CC)C2)no1 ZINC000999876543 707523844 /nfs/dbraw/zinc/52/38/44/707523844.db2.gz NREZPXSSDAJBLA-NRXISQOPSA-N 2 2 349.479 1.585 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)no1 ZINC000999876543 707523847 /nfs/dbraw/zinc/52/38/47/707523847.db2.gz NREZPXSSDAJBLA-NRXISQOPSA-N 2 2 349.479 1.585 20 0 EDADLP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000999917622 707559797 /nfs/dbraw/zinc/55/97/97/707559797.db2.gz VISZZMWRZGFLIE-UHFFFAOYSA-N 2 2 328.416 1.671 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncc(F)c3)C2)CC[N@@H+]1C ZINC001033362584 707650156 /nfs/dbraw/zinc/65/01/56/707650156.db2.gz SIGSDGYXHLAOOR-ZVZYQTTQSA-N 2 2 348.466 1.984 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncc(F)c3)C2)CC[N@H+]1C ZINC001033362584 707650159 /nfs/dbraw/zinc/65/01/59/707650159.db2.gz SIGSDGYXHLAOOR-ZVZYQTTQSA-N 2 2 348.466 1.984 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cncc(F)c3)C2)CC[NH+]1C ZINC001033362584 707650161 /nfs/dbraw/zinc/65/01/61/707650161.db2.gz SIGSDGYXHLAOOR-ZVZYQTTQSA-N 2 2 348.466 1.984 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CC[NH+]1C ZINC001033362584 707650166 /nfs/dbraw/zinc/65/01/66/707650166.db2.gz SIGSDGYXHLAOOR-ZVZYQTTQSA-N 2 2 348.466 1.984 20 0 EDADLP CC(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000999991633 707667042 /nfs/dbraw/zinc/66/70/42/707667042.db2.gz LOQBMLLVYWUJNY-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000999991633 707667046 /nfs/dbraw/zinc/66/70/46/707667046.db2.gz LOQBMLLVYWUJNY-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)no1 ZINC001033359948 707687515 /nfs/dbraw/zinc/68/75/15/707687515.db2.gz FGHYJPKLRHYGGI-JLJPHGGASA-N 2 2 334.464 1.746 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)no1 ZINC001033359948 707687516 /nfs/dbraw/zinc/68/75/16/707687516.db2.gz FGHYJPKLRHYGGI-JLJPHGGASA-N 2 2 334.464 1.746 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)no1 ZINC001033359948 707687517 /nfs/dbraw/zinc/68/75/17/707687517.db2.gz FGHYJPKLRHYGGI-JLJPHGGASA-N 2 2 334.464 1.746 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)no1 ZINC001033359948 707687518 /nfs/dbraw/zinc/68/75/18/707687518.db2.gz FGHYJPKLRHYGGI-JLJPHGGASA-N 2 2 334.464 1.746 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921689507 707701423 /nfs/dbraw/zinc/70/14/23/707701423.db2.gz FKUJRRJNRKSNFF-INIZCTEOSA-N 2 2 330.476 1.637 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2nccc3c2CCCC3)C1 ZINC000921689507 707701426 /nfs/dbraw/zinc/70/14/26/707701426.db2.gz FKUJRRJNRKSNFF-INIZCTEOSA-N 2 2 330.476 1.637 20 0 EDADLP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033391678 707724007 /nfs/dbraw/zinc/72/40/07/707724007.db2.gz VCJRFUZZXXLJGP-MRXNPFEDSA-N 2 2 346.475 1.927 20 0 EDADLP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001033391678 707724012 /nfs/dbraw/zinc/72/40/12/707724012.db2.gz VCJRFUZZXXLJGP-MRXNPFEDSA-N 2 2 346.475 1.927 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCCO1 ZINC001032736377 707749427 /nfs/dbraw/zinc/74/94/27/707749427.db2.gz NNPAERFNMQNJCP-JYJNAYRXSA-N 2 2 344.459 1.615 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCCO1 ZINC001032736377 707749433 /nfs/dbraw/zinc/74/94/33/707749433.db2.gz NNPAERFNMQNJCP-JYJNAYRXSA-N 2 2 344.459 1.615 20 0 EDADLP Cc1csc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001033421307 707833382 /nfs/dbraw/zinc/83/33/82/707833382.db2.gz WVLQRTVLNHJJQL-ZFWWWQNUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001033421307 707833387 /nfs/dbraw/zinc/83/33/87/707833387.db2.gz WVLQRTVLNHJJQL-ZFWWWQNUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033421307 707833390 /nfs/dbraw/zinc/83/33/90/707833390.db2.gz WVLQRTVLNHJJQL-ZFWWWQNUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001033421307 707833393 /nfs/dbraw/zinc/83/33/93/707833393.db2.gz WVLQRTVLNHJJQL-ZFWWWQNUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)[nH]1 ZINC001004988581 707845625 /nfs/dbraw/zinc/84/56/25/707845625.db2.gz CFWVEMGQZQEIAY-DZGCQCFKSA-N 2 2 334.468 1.068 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)nn1C ZINC001033473531 707962235 /nfs/dbraw/zinc/96/22/35/707962235.db2.gz AQRJSGWTTVCBPX-GOSISDBHSA-N 2 2 347.507 1.493 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)nn1C ZINC001033473531 707962238 /nfs/dbraw/zinc/96/22/38/707962238.db2.gz AQRJSGWTTVCBPX-GOSISDBHSA-N 2 2 347.507 1.493 20 0 EDADLP Cc1nsc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032782139 707971913 /nfs/dbraw/zinc/97/19/13/707971913.db2.gz VVMXGFUCBUQTDI-KKUMJFAQSA-N 2 2 334.489 1.497 20 0 EDADLP Cc1nsc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032782139 707971915 /nfs/dbraw/zinc/97/19/15/707971915.db2.gz VVMXGFUCBUQTDI-KKUMJFAQSA-N 2 2 334.489 1.497 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032782139 707971917 /nfs/dbraw/zinc/97/19/17/707971917.db2.gz VVMXGFUCBUQTDI-KKUMJFAQSA-N 2 2 334.489 1.497 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032782139 707971919 /nfs/dbraw/zinc/97/19/19/707971919.db2.gz VVMXGFUCBUQTDI-KKUMJFAQSA-N 2 2 334.489 1.497 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033586426 708277088 /nfs/dbraw/zinc/27/70/88/708277088.db2.gz VWCXXBQHDAQWKB-HNNXBMFYSA-N 2 2 343.431 1.791 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033586426 708277091 /nfs/dbraw/zinc/27/70/91/708277091.db2.gz VWCXXBQHDAQWKB-HNNXBMFYSA-N 2 2 343.431 1.791 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033661900 708476004 /nfs/dbraw/zinc/47/60/04/708476004.db2.gz NFMUGUCTYHCVLU-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033661900 708476007 /nfs/dbraw/zinc/47/60/07/708476007.db2.gz NFMUGUCTYHCVLU-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(Cl)nc2)C1 ZINC001033661900 708476009 /nfs/dbraw/zinc/47/60/09/708476009.db2.gz NFMUGUCTYHCVLU-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(Cl)nc2)C1 ZINC001033661900 708476011 /nfs/dbraw/zinc/47/60/11/708476011.db2.gz NFMUGUCTYHCVLU-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3F)C2)C1 ZINC001033678402 708487653 /nfs/dbraw/zinc/48/76/53/708487653.db2.gz FULPABLCJDBAOR-SJLPKXTDSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3F)C2)C1 ZINC001033678402 708487654 /nfs/dbraw/zinc/48/76/54/708487654.db2.gz FULPABLCJDBAOR-SJLPKXTDSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3F)C2)C1 ZINC001033678402 708487656 /nfs/dbraw/zinc/48/76/56/708487656.db2.gz FULPABLCJDBAOR-SJLPKXTDSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3F)C2)C1 ZINC001033678402 708487658 /nfs/dbraw/zinc/48/76/58/708487658.db2.gz FULPABLCJDBAOR-SJLPKXTDSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033687047 708501971 /nfs/dbraw/zinc/50/19/71/708501971.db2.gz WRGVIHSRIHHTEX-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033687047 708501972 /nfs/dbraw/zinc/50/19/72/708501972.db2.gz WRGVIHSRIHHTEX-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033687047 708501974 /nfs/dbraw/zinc/50/19/74/708501974.db2.gz WRGVIHSRIHHTEX-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033687047 708501977 /nfs/dbraw/zinc/50/19/77/708501977.db2.gz WRGVIHSRIHHTEX-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033702433 708530019 /nfs/dbraw/zinc/53/00/19/708530019.db2.gz NRVTYUTZTJWPJS-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033702433 708530021 /nfs/dbraw/zinc/53/00/21/708530021.db2.gz NRVTYUTZTJWPJS-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001033780983 708687935 /nfs/dbraw/zinc/68/79/35/708687935.db2.gz PBNNMLDELGBSCO-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001033780983 708687937 /nfs/dbraw/zinc/68/79/37/708687937.db2.gz PBNNMLDELGBSCO-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001033780983 708687939 /nfs/dbraw/zinc/68/79/39/708687939.db2.gz PBNNMLDELGBSCO-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001033780983 708687940 /nfs/dbraw/zinc/68/79/40/708687940.db2.gz PBNNMLDELGBSCO-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033831767 708854198 /nfs/dbraw/zinc/85/41/98/708854198.db2.gz YIGQKILXJOYNIT-DLBZAZTESA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033831767 708854202 /nfs/dbraw/zinc/85/42/02/708854202.db2.gz YIGQKILXJOYNIT-DLBZAZTESA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001034012790 709226162 /nfs/dbraw/zinc/22/61/62/709226162.db2.gz JRGMRKCFWABOEZ-HNNXBMFYSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001034012790 709226165 /nfs/dbraw/zinc/22/61/65/709226165.db2.gz JRGMRKCFWABOEZ-HNNXBMFYSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001034039938 709272924 /nfs/dbraw/zinc/27/29/24/709272924.db2.gz NXYFSDLIHWZKFQ-ZIAGYGMSSA-N 2 2 336.436 1.058 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001034039938 709272928 /nfs/dbraw/zinc/27/29/28/709272928.db2.gz NXYFSDLIHWZKFQ-ZIAGYGMSSA-N 2 2 336.436 1.058 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001034039938 709272930 /nfs/dbraw/zinc/27/29/30/709272930.db2.gz NXYFSDLIHWZKFQ-ZIAGYGMSSA-N 2 2 336.436 1.058 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001034039938 709272932 /nfs/dbraw/zinc/27/29/32/709272932.db2.gz NXYFSDLIHWZKFQ-ZIAGYGMSSA-N 2 2 336.436 1.058 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(F)cn2)C1 ZINC001034139155 709389059 /nfs/dbraw/zinc/38/90/59/709389059.db2.gz RQZZZJYOAXRHHA-DLBZAZTESA-N 2 2 334.439 1.786 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(F)cn2)C1 ZINC001034139155 709389064 /nfs/dbraw/zinc/38/90/64/709389064.db2.gz RQZZZJYOAXRHHA-DLBZAZTESA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001034139155 709389066 /nfs/dbraw/zinc/38/90/66/709389066.db2.gz RQZZZJYOAXRHHA-DLBZAZTESA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001034139155 709389068 /nfs/dbraw/zinc/38/90/68/709389068.db2.gz RQZZZJYOAXRHHA-DLBZAZTESA-N 2 2 334.439 1.786 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002804439 709407126 /nfs/dbraw/zinc/40/71/26/709407126.db2.gz ATWCSNBMOWDKCV-RDJZCZTQSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002804439 709407128 /nfs/dbraw/zinc/40/71/28/709407128.db2.gz ATWCSNBMOWDKCV-RDJZCZTQSA-N 2 2 346.475 1.938 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001002815765 709431048 /nfs/dbraw/zinc/43/10/48/709431048.db2.gz SEWRUSVGTBWWAZ-UHFFFAOYSA-N 2 2 347.507 1.765 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](Cc2cnns2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034211461 709562128 /nfs/dbraw/zinc/56/21/28/709562128.db2.gz MZAWBCULKIOYKV-GDBMZVCRSA-N 2 2 349.504 1.351 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](Cc2cnns2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034211461 709562132 /nfs/dbraw/zinc/56/21/32/709562132.db2.gz MZAWBCULKIOYKV-GDBMZVCRSA-N 2 2 349.504 1.351 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCCC[N@H+](CCCF)C2)no1 ZINC001034282953 709702115 /nfs/dbraw/zinc/70/21/15/709702115.db2.gz RSCRPIWFXKOFDC-ZDUSSCGKSA-N 2 2 326.416 1.680 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCCC[N@@H+](CCCF)C2)no1 ZINC001034282953 709702117 /nfs/dbraw/zinc/70/21/17/709702117.db2.gz RSCRPIWFXKOFDC-ZDUSSCGKSA-N 2 2 326.416 1.680 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3cscn3)C2)CC1 ZINC001034378740 709900786 /nfs/dbraw/zinc/90/07/86/709900786.db2.gz XKODDTZOUDGESL-OAHLLOKOSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cscn3)C2)CC1 ZINC001034378740 709900788 /nfs/dbraw/zinc/90/07/88/709900788.db2.gz XKODDTZOUDGESL-OAHLLOKOSA-N 2 2 336.505 1.956 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC001034400952 709944971 /nfs/dbraw/zinc/94/49/71/709944971.db2.gz YXIKAWCYYOACPQ-DLBZAZTESA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001034400952 709944975 /nfs/dbraw/zinc/94/49/75/709944975.db2.gz YXIKAWCYYOACPQ-DLBZAZTESA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001034400952 709944978 /nfs/dbraw/zinc/94/49/78/709944978.db2.gz YXIKAWCYYOACPQ-DLBZAZTESA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001034400952 709944981 /nfs/dbraw/zinc/94/49/81/709944981.db2.gz YXIKAWCYYOACPQ-DLBZAZTESA-N 2 2 345.491 1.740 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474859 710080251 /nfs/dbraw/zinc/08/02/51/710080251.db2.gz YTMVKVYVYKULAX-HUUCEWRRSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474859 710080255 /nfs/dbraw/zinc/08/02/55/710080255.db2.gz YTMVKVYVYKULAX-HUUCEWRRSA-N 2 2 343.431 1.232 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001003194170 710128980 /nfs/dbraw/zinc/12/89/80/710128980.db2.gz RTNWITMYIZETQA-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034501945 710142346 /nfs/dbraw/zinc/14/23/46/710142346.db2.gz BMVNQUOWCAYRAQ-OAHLLOKOSA-N 2 2 330.436 1.165 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034501945 710142348 /nfs/dbraw/zinc/14/23/48/710142348.db2.gz BMVNQUOWCAYRAQ-OAHLLOKOSA-N 2 2 330.436 1.165 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001003230971 710152635 /nfs/dbraw/zinc/15/26/35/710152635.db2.gz SPZJRPJCWKEZNQ-KRWDZBQOSA-N 2 2 348.495 1.016 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001003230971 710152638 /nfs/dbraw/zinc/15/26/38/710152638.db2.gz SPZJRPJCWKEZNQ-KRWDZBQOSA-N 2 2 348.495 1.016 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034526507 710178924 /nfs/dbraw/zinc/17/89/24/710178924.db2.gz YZIXKTCFRJYERB-IRXDYDNUSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034526507 710178927 /nfs/dbraw/zinc/17/89/27/710178927.db2.gz YZIXKTCFRJYERB-IRXDYDNUSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034526507 710178932 /nfs/dbraw/zinc/17/89/32/710178932.db2.gz YZIXKTCFRJYERB-IRXDYDNUSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034526507 710178935 /nfs/dbraw/zinc/17/89/35/710178935.db2.gz YZIXKTCFRJYERB-IRXDYDNUSA-N 2 2 347.507 1.886 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)co1 ZINC001034529705 710185511 /nfs/dbraw/zinc/18/55/11/710185511.db2.gz MPAAWTLNQYNKQS-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)co1 ZINC001034529705 710185512 /nfs/dbraw/zinc/18/55/12/710185512.db2.gz MPAAWTLNQYNKQS-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034538227 710210639 /nfs/dbraw/zinc/21/06/39/710210639.db2.gz JQHNIUDYPVWLTD-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cncn2C)C1 ZINC001034538227 710210640 /nfs/dbraw/zinc/21/06/40/710210640.db2.gz JQHNIUDYPVWLTD-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cncn2C)C1 ZINC001034538227 710210642 /nfs/dbraw/zinc/21/06/42/710210642.db2.gz JQHNIUDYPVWLTD-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cncn2C)C1 ZINC001034538227 710210645 /nfs/dbraw/zinc/21/06/45/710210645.db2.gz JQHNIUDYPVWLTD-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546686 710220566 /nfs/dbraw/zinc/22/05/66/710220566.db2.gz IETXPWUVCZVJCA-OAHLLOKOSA-N 2 2 345.447 1.913 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546686 710220569 /nfs/dbraw/zinc/22/05/69/710220569.db2.gz IETXPWUVCZVJCA-OAHLLOKOSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC001034547771 710222444 /nfs/dbraw/zinc/22/24/44/710222444.db2.gz ZLYQBDYVQWXNBO-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC001034547771 710222445 /nfs/dbraw/zinc/22/24/45/710222445.db2.gz ZLYQBDYVQWXNBO-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+]([C@H](C)c2cnc(C)cn2)CC1 ZINC001003319557 710248242 /nfs/dbraw/zinc/24/82/42/710248242.db2.gz WIJPGUIBLZQUOK-OAHLLOKOSA-N 2 2 342.447 1.632 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC001061764269 710286006 /nfs/dbraw/zinc/28/60/06/710286006.db2.gz YPOCKOZKRYFWDA-DJIMGWMZSA-N 2 2 345.491 1.685 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)c(C)[nH+]1 ZINC001061764269 710286008 /nfs/dbraw/zinc/28/60/08/710286008.db2.gz YPOCKOZKRYFWDA-DJIMGWMZSA-N 2 2 345.491 1.685 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ncccn3)CC2)CC[N@@H+]1C ZINC001003491208 710373591 /nfs/dbraw/zinc/37/35/91/710373591.db2.gz DHHWFTSEXZUGLU-GJZGRUSLSA-N 2 2 331.464 1.288 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ncccn3)CC2)CC[N@H+]1C ZINC001003491208 710373594 /nfs/dbraw/zinc/37/35/94/710373594.db2.gz DHHWFTSEXZUGLU-GJZGRUSLSA-N 2 2 331.464 1.288 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003491413 710374127 /nfs/dbraw/zinc/37/41/27/710374127.db2.gz DUEBSSBBBYUXLY-JSGCOSHPSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003491413 710374128 /nfs/dbraw/zinc/37/41/28/710374128.db2.gz DUEBSSBBBYUXLY-JSGCOSHPSA-N 2 2 335.452 1.189 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003493546 710376068 /nfs/dbraw/zinc/37/60/68/710376068.db2.gz WJFLHYLPRLBDPP-XHSDSOJGSA-N 2 2 345.491 1.849 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003493546 710376070 /nfs/dbraw/zinc/37/60/70/710376070.db2.gz WJFLHYLPRLBDPP-XHSDSOJGSA-N 2 2 345.491 1.849 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001003604868 710445564 /nfs/dbraw/zinc/44/55/64/710445564.db2.gz AGOWDRMVSZBOTR-GOEBONIOSA-N 2 2 346.475 1.837 20 0 EDADLP C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003631809 710460614 /nfs/dbraw/zinc/46/06/14/710460614.db2.gz VMSPYJRNCVCMHL-AWEZNQCLSA-N 2 2 348.495 1.189 20 0 EDADLP C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003631809 710460615 /nfs/dbraw/zinc/46/06/15/710460615.db2.gz VMSPYJRNCVCMHL-AWEZNQCLSA-N 2 2 348.495 1.189 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3cnns3)CC2)C1 ZINC001003631929 710460685 /nfs/dbraw/zinc/46/06/85/710460685.db2.gz WYRISUKWNIPHFG-UHFFFAOYSA-N 2 2 337.493 1.351 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cnns3)CC2)C1 ZINC001003631929 710460686 /nfs/dbraw/zinc/46/06/86/710460686.db2.gz WYRISUKWNIPHFG-UHFFFAOYSA-N 2 2 337.493 1.351 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001003735302 710517308 /nfs/dbraw/zinc/51/73/08/710517308.db2.gz GZXMOLBHGVIECV-HNNXBMFYSA-N 2 2 349.479 1.723 20 0 EDADLP C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003741939 710524690 /nfs/dbraw/zinc/52/46/90/710524690.db2.gz VFFGXJKYCUCUSB-AWEZNQCLSA-N 2 2 348.495 1.189 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001003776316 710545313 /nfs/dbraw/zinc/54/53/13/710545313.db2.gz LWUGWCWYXNRHKN-RDJZCZTQSA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776316 710545315 /nfs/dbraw/zinc/54/53/15/710545315.db2.gz LWUGWCWYXNRHKN-RDJZCZTQSA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001005590625 710645836 /nfs/dbraw/zinc/64/58/36/710645836.db2.gz BAJLMGQUICOXAW-CZUORRHYSA-N 2 2 349.479 1.846 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC001005590625 710645841 /nfs/dbraw/zinc/64/58/41/710645841.db2.gz BAJLMGQUICOXAW-CZUORRHYSA-N 2 2 349.479 1.846 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061774828 710673734 /nfs/dbraw/zinc/67/37/34/710673734.db2.gz UXECNNSLVCMVLJ-JKSUJKDBSA-N 2 2 331.464 1.520 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061774828 710673736 /nfs/dbraw/zinc/67/37/36/710673736.db2.gz UXECNNSLVCMVLJ-JKSUJKDBSA-N 2 2 331.464 1.520 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001044295379 710680471 /nfs/dbraw/zinc/68/04/71/710680471.db2.gz ICSNICVIUKVSOB-LBPRGKRZSA-N 2 2 345.274 1.918 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001034684556 710705829 /nfs/dbraw/zinc/70/58/29/710705829.db2.gz WJOVOPHHIPXAHX-QBPKDAKJSA-N 2 2 346.475 1.499 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C1CC[NH+](CCCO)CC1)C2 ZINC001005624416 710744540 /nfs/dbraw/zinc/74/45/40/710744540.db2.gz QQZXGIXKFVEZJA-AWEZNQCLSA-N 2 2 334.464 1.128 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C1CC[NH+](CCCO)CC1)CC2 ZINC001005624416 710744543 /nfs/dbraw/zinc/74/45/43/710744543.db2.gz QQZXGIXKFVEZJA-AWEZNQCLSA-N 2 2 334.464 1.128 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccon3)CC2)CC1 ZINC001003892281 710835807 /nfs/dbraw/zinc/83/58/07/710835807.db2.gz MJCWDBPCUZPNGB-UHFFFAOYSA-N 2 2 334.464 1.876 20 0 EDADLP Cc1ccncc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744107 710946683 /nfs/dbraw/zinc/94/66/83/710946683.db2.gz LFROWXSSFVKLAV-WKILWMFISA-N 2 2 327.432 1.873 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC001034762528 711000093 /nfs/dbraw/zinc/00/00/93/711000093.db2.gz CGDVXOJMJFKPEK-BRWVUGGUSA-N 2 2 348.491 1.910 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034778149 711078821 /nfs/dbraw/zinc/07/88/21/711078821.db2.gz ODBFNNCLSDFGEA-HAQNSBGRSA-N 2 2 334.449 1.031 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ncccn2)CC1 ZINC001034786322 711090088 /nfs/dbraw/zinc/09/00/88/711090088.db2.gz LXIXMAPWDSPECX-KKUMJFAQSA-N 2 2 342.447 1.829 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003969788 711118512 /nfs/dbraw/zinc/11/85/12/711118512.db2.gz CEDQZXHEDGOQKQ-JSGCOSHPSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003969788 711118516 /nfs/dbraw/zinc/11/85/16/711118516.db2.gz CEDQZXHEDGOQKQ-JSGCOSHPSA-N 2 2 335.452 1.361 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC001003971918 711124627 /nfs/dbraw/zinc/12/46/27/711124627.db2.gz RWQMXNHEIAHOJE-UHFFFAOYSA-N 2 2 330.407 1.883 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001034802355 711140487 /nfs/dbraw/zinc/14/04/87/711140487.db2.gz ZFNWMAOWEPGXRV-SHTZXODSSA-N 2 2 328.420 1.199 20 0 EDADLP CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001034890923 711346577 /nfs/dbraw/zinc/34/65/77/711346577.db2.gz JIDLDFMYHYYPKA-RTBURBONSA-N 2 2 345.487 1.660 20 0 EDADLP CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001034890923 711346582 /nfs/dbraw/zinc/34/65/82/711346582.db2.gz JIDLDFMYHYYPKA-RTBURBONSA-N 2 2 345.487 1.660 20 0 EDADLP CO[C@H](C[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1)C1CCC1 ZINC001004053795 711376296 /nfs/dbraw/zinc/37/62/96/711376296.db2.gz QXJKLGLNCNVDBZ-QGZVFWFLSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001004054441 711377720 /nfs/dbraw/zinc/37/77/20/711377720.db2.gz VNTXTYCEGFHIBJ-AWEZNQCLSA-N 2 2 342.390 1.265 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001034921310 711380140 /nfs/dbraw/zinc/38/01/40/711380140.db2.gz ZTIJLOGICVUGKR-CQSZACIVSA-N 2 2 343.431 1.989 20 0 EDADLP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCc3c[nH+]cn3C)C2)[C@@H]1C(C)C ZINC000922514272 711644020 /nfs/dbraw/zinc/64/40/20/711644020.db2.gz ABTVIBHZNYFLMQ-XLMAVXFVSA-N 2 2 349.479 1.089 20 0 EDADLP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCc3c[nH+]cn3C)C2)[C@@H]1C(C)C ZINC000922514272 711644024 /nfs/dbraw/zinc/64/40/24/711644024.db2.gz ABTVIBHZNYFLMQ-XLMAVXFVSA-N 2 2 349.479 1.089 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033141324 711943709 /nfs/dbraw/zinc/94/37/09/711943709.db2.gz DGQHQXZPRZFVOO-FUHWJXTLSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033141324 711943711 /nfs/dbraw/zinc/94/37/11/711943711.db2.gz DGQHQXZPRZFVOO-FUHWJXTLSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)C1 ZINC001033141324 711943712 /nfs/dbraw/zinc/94/37/12/711943712.db2.gz DGQHQXZPRZFVOO-FUHWJXTLSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)C[NH+]1CC[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)C1 ZINC001033141324 711943714 /nfs/dbraw/zinc/94/37/14/711943714.db2.gz DGQHQXZPRZFVOO-FUHWJXTLSA-N 2 2 347.507 1.431 20 0 EDADLP CO[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004582350 712015334 /nfs/dbraw/zinc/01/53/34/712015334.db2.gz VGIWIZBIMRVISZ-RHSMWYFYSA-N 2 2 334.464 1.690 20 0 EDADLP CO[C@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001004582350 712015337 /nfs/dbraw/zinc/01/53/37/712015337.db2.gz VGIWIZBIMRVISZ-RHSMWYFYSA-N 2 2 334.464 1.690 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2nccn2Cc2ccccc2)CC1 ZINC000558657853 306242578 /nfs/dbraw/zinc/24/25/78/306242578.db2.gz GPAHFAUMPUTQFS-UHFFFAOYSA-N 2 2 328.460 1.868 20 0 EDADLP COc1cccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000098022589 219071097 /nfs/dbraw/zinc/07/10/97/219071097.db2.gz IJQLDZADXBZPKD-UHFFFAOYSA-N 2 2 348.491 1.863 20 0 EDADLP COc1cccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000098022589 219071099 /nfs/dbraw/zinc/07/10/99/219071099.db2.gz IJQLDZADXBZPKD-UHFFFAOYSA-N 2 2 348.491 1.863 20 0 EDADLP c1cn(-c2ccc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)cn2)c[nH+]1 ZINC000177374150 231874613 /nfs/dbraw/zinc/87/46/13/231874613.db2.gz RKRDBNDQAKORDZ-KRWDZBQOSA-N 2 2 327.432 1.421 20 0 EDADLP Cc1cc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)nc(C2CC2)[nH+]1 ZINC000328955422 539379035 /nfs/dbraw/zinc/37/90/35/539379035.db2.gz YWCFTLKVBPPJSQ-UHFFFAOYSA-N 2 2 343.475 2.019 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000329591412 539445965 /nfs/dbraw/zinc/44/59/65/539445965.db2.gz UCXAUDLAOOJZBR-JKSUJKDBSA-N 2 2 332.448 1.077 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000332833181 539608992 /nfs/dbraw/zinc/60/89/92/539608992.db2.gz HISSPOAKHGJYIB-DOTOQJQBSA-N 2 2 343.475 1.707 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000332833181 539608995 /nfs/dbraw/zinc/60/89/95/539608995.db2.gz HISSPOAKHGJYIB-DOTOQJQBSA-N 2 2 343.475 1.707 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166341557 539923620 /nfs/dbraw/zinc/92/36/20/539923620.db2.gz KTPAPHWINVBZDT-ZWKOTPCHSA-N 3 2 329.492 1.550 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166341557 539923625 /nfs/dbraw/zinc/92/36/25/539923625.db2.gz KTPAPHWINVBZDT-ZWKOTPCHSA-N 3 2 329.492 1.550 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C)C[NH+](CC)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000354268275 539941303 /nfs/dbraw/zinc/94/13/03/539941303.db2.gz WLYSUOLSGPLGDY-CABCVRRESA-N 2 2 336.484 1.528 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000562789236 306308979 /nfs/dbraw/zinc/30/89/79/306308979.db2.gz FNCBYMZEQDBKEE-IRXDYDNUSA-N 2 2 339.528 1.042 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166097410 540074934 /nfs/dbraw/zinc/07/49/34/540074934.db2.gz AHEFJHFGQWRZMV-HZPDHXFCSA-N 2 2 337.489 1.653 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166097410 540074936 /nfs/dbraw/zinc/07/49/36/540074936.db2.gz AHEFJHFGQWRZMV-HZPDHXFCSA-N 2 2 337.489 1.653 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2c[nH+]ccc2N(C)C)C[C@H](C)O1 ZINC000183487898 235105093 /nfs/dbraw/zinc/10/50/93/235105093.db2.gz QMKGKFZSDKELSC-KBPBESRZSA-N 2 2 334.464 1.765 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000191982317 540176936 /nfs/dbraw/zinc/17/69/36/540176936.db2.gz ZFEGNFBSUAMPDJ-MRXNPFEDSA-N 2 2 348.472 1.694 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000191982317 540176938 /nfs/dbraw/zinc/17/69/38/540176938.db2.gz ZFEGNFBSUAMPDJ-MRXNPFEDSA-N 2 2 348.472 1.694 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)s1 ZINC000038031092 213194522 /nfs/dbraw/zinc/19/45/22/213194522.db2.gz FLSVLLZZGFSMJJ-UHFFFAOYSA-N 2 2 332.267 1.374 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCSCC3)CC2)CC1 ZINC000051759907 138135629 /nfs/dbraw/zinc/13/56/29/138135629.db2.gz MHLVOIQCHWQBNW-UHFFFAOYSA-N 2 2 340.537 1.694 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413064496 304055287 /nfs/dbraw/zinc/05/52/87/304055287.db2.gz ATYPZCQWHWIIAE-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c2[nH+]ccn21 ZINC000563516504 306336454 /nfs/dbraw/zinc/33/64/54/306336454.db2.gz VKIZSIMGYKHKEV-KFWWJZLASA-N 2 2 335.452 1.641 20 0 EDADLP CCOCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073437982 138218060 /nfs/dbraw/zinc/21/80/60/138218060.db2.gz WOSSWPMLUGIDSO-UHFFFAOYSA-N 2 2 340.512 1.663 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000073569895 138218885 /nfs/dbraw/zinc/21/88/85/138218885.db2.gz ZSVBQANWEUNXIV-KRWDZBQOSA-N 2 2 336.480 1.119 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000073659960 138220006 /nfs/dbraw/zinc/22/00/06/138220006.db2.gz FRWGRYBKEKFNFT-IAGOWNOFSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000073659960 138220008 /nfs/dbraw/zinc/22/00/08/138220008.db2.gz FRWGRYBKEKFNFT-IAGOWNOFSA-N 2 2 338.496 1.225 20 0 EDADLP CCCC[N@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000075470194 138242541 /nfs/dbraw/zinc/24/25/41/138242541.db2.gz MDXIDESQXKDZQV-UHFFFAOYSA-N 2 2 334.464 1.215 20 0 EDADLP CCCC[N@@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000075470194 138242542 /nfs/dbraw/zinc/24/25/42/138242542.db2.gz MDXIDESQXKDZQV-UHFFFAOYSA-N 2 2 334.464 1.215 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000085391852 138270575 /nfs/dbraw/zinc/27/05/75/138270575.db2.gz XJRIBODWRJRBEA-ZBFHGGJFSA-N 2 2 333.480 1.744 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000085391852 138270576 /nfs/dbraw/zinc/27/05/76/138270576.db2.gz XJRIBODWRJRBEA-ZBFHGGJFSA-N 2 2 333.480 1.744 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000090659531 138280363 /nfs/dbraw/zinc/28/03/63/138280363.db2.gz JYTSZHSIQIEWJA-IAGOWNOFSA-N 2 2 347.463 1.483 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000090659531 138280364 /nfs/dbraw/zinc/28/03/64/138280364.db2.gz JYTSZHSIQIEWJA-IAGOWNOFSA-N 2 2 347.463 1.483 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770440 138294397 /nfs/dbraw/zinc/29/43/97/138294397.db2.gz HEFVIKIKHYWGJW-MRXNPFEDSA-N 3 2 332.496 1.002 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770440 138294398 /nfs/dbraw/zinc/29/43/98/138294398.db2.gz HEFVIKIKHYWGJW-MRXNPFEDSA-N 3 2 332.496 1.002 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770440 138294399 /nfs/dbraw/zinc/29/43/99/138294399.db2.gz HEFVIKIKHYWGJW-MRXNPFEDSA-N 3 2 332.496 1.002 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093770440 138294400 /nfs/dbraw/zinc/29/44/00/138294400.db2.gz HEFVIKIKHYWGJW-MRXNPFEDSA-N 3 2 332.496 1.002 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000120966797 138316751 /nfs/dbraw/zinc/31/67/51/138316751.db2.gz HQOUJAJUJDZURH-HNNXBMFYSA-N 2 2 331.416 1.326 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000120966797 138316752 /nfs/dbraw/zinc/31/67/52/138316752.db2.gz HQOUJAJUJDZURH-HNNXBMFYSA-N 2 2 331.416 1.326 20 0 EDADLP CC[NH2+]CCCNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000563595255 306340691 /nfs/dbraw/zinc/34/06/91/306340691.db2.gz UQRVGFOPOSKYCP-UHFFFAOYSA-N 2 2 338.452 1.123 20 0 EDADLP Cc1nc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000124426323 138326720 /nfs/dbraw/zinc/32/67/20/138326720.db2.gz OEQABGXIQMVQIQ-UHFFFAOYSA-N 2 2 336.505 1.669 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000186905792 236059760 /nfs/dbraw/zinc/05/97/60/236059760.db2.gz HZLJNBZGTOXRBX-CQSZACIVSA-N 2 2 330.432 1.180 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000186905792 236059762 /nfs/dbraw/zinc/05/97/62/236059762.db2.gz HZLJNBZGTOXRBX-CQSZACIVSA-N 2 2 330.432 1.180 20 0 EDADLP Cc1nccnc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000187781212 236298382 /nfs/dbraw/zinc/29/83/82/236298382.db2.gz AJUYSMLDOPOWST-HNNXBMFYSA-N 2 2 326.448 1.783 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422891031 283323725 /nfs/dbraw/zinc/32/37/25/283323725.db2.gz UKUYLHXJTIVMFU-KSZLIROESA-N 3 2 330.476 1.409 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422891031 283323726 /nfs/dbraw/zinc/32/37/26/283323726.db2.gz UKUYLHXJTIVMFU-KSZLIROESA-N 3 2 330.476 1.409 20 0 EDADLP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422891031 283323727 /nfs/dbraw/zinc/32/37/27/283323727.db2.gz UKUYLHXJTIVMFU-KSZLIROESA-N 2 2 330.476 1.409 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)[NH+]2CCOCC2)c1 ZINC000563954365 306353275 /nfs/dbraw/zinc/35/32/75/306353275.db2.gz BYOIPUXDTXMVCD-NXHRZFHOSA-N 2 2 331.460 1.483 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc(Cn4cc[nH+]c4)n3)cn2)CC1 ZINC000564650389 306362011 /nfs/dbraw/zinc/36/20/11/306362011.db2.gz XGOAQVIGWOFOSZ-UHFFFAOYSA-N 2 2 325.376 1.128 20 0 EDADLP C[N@@H+](C[C@@H](O)CNC[C@H]1CSCC[NH+]1Cc1ccccc1)C1CC1 ZINC000564723744 306363639 /nfs/dbraw/zinc/36/36/39/306363639.db2.gz QSWUYIYPXNQWSC-OALUTQOASA-N 2 2 349.544 1.649 20 0 EDADLP C[NH+](C[C@@H](O)CNC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000564723744 306363640 /nfs/dbraw/zinc/36/36/40/306363640.db2.gz QSWUYIYPXNQWSC-OALUTQOASA-N 2 2 349.544 1.649 20 0 EDADLP C[NH+](C[C@@H](O)CNC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000564723744 306363641 /nfs/dbraw/zinc/36/36/41/306363641.db2.gz QSWUYIYPXNQWSC-OALUTQOASA-N 2 2 349.544 1.649 20 0 EDADLP OC[C@@H](CC1CCCC1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000564978598 306371814 /nfs/dbraw/zinc/37/18/14/306371814.db2.gz NRDZVPUYWSOSTQ-UXHICEINSA-N 2 2 332.488 1.936 20 0 EDADLP OC[C@@H](CC1CCCC1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000564978598 306371815 /nfs/dbraw/zinc/37/18/15/306371815.db2.gz NRDZVPUYWSOSTQ-UXHICEINSA-N 2 2 332.488 1.936 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000564979980 306371951 /nfs/dbraw/zinc/37/19/51/306371951.db2.gz OCSIVQXTLXWWAD-CHWSQXEVSA-N 2 2 345.447 1.093 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000565219445 306379024 /nfs/dbraw/zinc/37/90/24/306379024.db2.gz VSJYQSBGBYOJKO-CQSZACIVSA-N 2 2 325.478 1.931 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)s1 ZINC000038031092 213194525 /nfs/dbraw/zinc/19/45/25/213194525.db2.gz FLSVLLZZGFSMJJ-UHFFFAOYSA-N 2 2 332.267 1.374 20 0 EDADLP CCc1ncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000414445895 304115856 /nfs/dbraw/zinc/11/58/56/304115856.db2.gz UBRRYZBSSWDFRM-JWTNVVGKSA-N 2 2 329.492 1.782 20 0 EDADLP CCc1ncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000414445895 304115858 /nfs/dbraw/zinc/11/58/58/304115858.db2.gz UBRRYZBSSWDFRM-JWTNVVGKSA-N 2 2 329.492 1.782 20 0 EDADLP Cc1ccc(CCC[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c[nH+]1 ZINC000414477786 304117947 /nfs/dbraw/zinc/11/79/47/304117947.db2.gz CJJHPTNNQHHXOU-UHFFFAOYSA-N 3 2 346.519 1.709 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694251 304128574 /nfs/dbraw/zinc/12/85/74/304128574.db2.gz MZNDCUUVORBDIL-PKOBYXMFSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694251 304128575 /nfs/dbraw/zinc/12/85/75/304128575.db2.gz MZNDCUUVORBDIL-PKOBYXMFSA-N 2 2 344.503 1.390 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414833075 304146010 /nfs/dbraw/zinc/14/60/10/304146010.db2.gz PBMISIPFFBNOKE-KRWDZBQOSA-N 2 2 327.428 1.943 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc(Cl)c1OCC(N)=O ZINC000414846028 304147321 /nfs/dbraw/zinc/14/73/21/304147321.db2.gz MUKFAPBVPZHPGH-LLVKDONJSA-N 2 2 327.812 1.054 20 0 EDADLP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000566852917 306430539 /nfs/dbraw/zinc/43/05/39/306430539.db2.gz CLEPXBUNUIHXJE-SJLPKXTDSA-N 2 2 329.444 1.197 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000195142695 139007647 /nfs/dbraw/zinc/00/76/47/139007647.db2.gz NUTYBPPSSBVIHN-KRWDZBQOSA-N 2 2 331.460 1.729 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000195158603 139008282 /nfs/dbraw/zinc/00/82/82/139008282.db2.gz WOTVOFDIUKSABI-INIZCTEOSA-N 2 2 327.432 1.073 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000195158603 139008283 /nfs/dbraw/zinc/00/82/83/139008283.db2.gz WOTVOFDIUKSABI-INIZCTEOSA-N 2 2 327.432 1.073 20 0 EDADLP C[C@H](c1cccc(NC(=O)N[C@H](C[NH3+])C2CC2)c1)[NH+]1CCOCC1 ZINC000415145085 304164714 /nfs/dbraw/zinc/16/47/14/304164714.db2.gz DESWCRILYGVNIV-CXAGYDPISA-N 2 2 332.448 1.939 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc2)CC1 ZINC000236740136 139029994 /nfs/dbraw/zinc/02/99/94/139029994.db2.gz VAQIWKZFQGZIDC-SFHVURJKSA-N 2 2 346.475 1.663 20 0 EDADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236691524 139028765 /nfs/dbraw/zinc/02/87/65/139028765.db2.gz GABBVIARGSDPMX-MJGOQNOKSA-N 2 2 333.476 1.767 20 0 EDADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236691524 139028766 /nfs/dbraw/zinc/02/87/66/139028766.db2.gz GABBVIARGSDPMX-MJGOQNOKSA-N 2 2 333.476 1.767 20 0 EDADLP CCC[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000236793621 139031593 /nfs/dbraw/zinc/03/15/93/139031593.db2.gz OJTVGFGBHAEFFV-FQEVSTJZSA-N 3 2 331.504 1.870 20 0 EDADLP CCC[NH+]1CCC([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000236793621 139031594 /nfs/dbraw/zinc/03/15/94/139031594.db2.gz OJTVGFGBHAEFFV-FQEVSTJZSA-N 3 2 331.504 1.870 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC000415161692 304168403 /nfs/dbraw/zinc/16/84/03/304168403.db2.gz VIPBGJPYNMUHBS-KGLIPLIRSA-N 2 2 329.404 1.773 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2)CC1 ZINC000237092790 139040457 /nfs/dbraw/zinc/04/04/57/139040457.db2.gz XOYSCDTXAWLYFN-GOSISDBHSA-N 2 2 342.487 1.762 20 0 EDADLP [NH3+][C@@H](CNC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000237981870 139065646 /nfs/dbraw/zinc/06/56/46/139065646.db2.gz FWYBYYNXJNSUPT-KRWDZBQOSA-N 2 2 339.443 1.020 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000238089572 139068847 /nfs/dbraw/zinc/06/88/47/139068847.db2.gz YSDUXFYGHFXLAC-INIZCTEOSA-N 2 2 344.484 1.837 20 0 EDADLP O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@H]1COCC[NH2+]1 ZINC000238122816 139069328 /nfs/dbraw/zinc/06/93/28/139069328.db2.gz UKJGWZVYAOZSRN-MRXNPFEDSA-N 2 2 326.400 1.813 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)n1 ZINC000245436407 139074637 /nfs/dbraw/zinc/07/46/37/139074637.db2.gz DIQOYDIZITVIND-IRXDYDNUSA-N 2 2 345.491 1.723 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)n1 ZINC000245436407 139074638 /nfs/dbraw/zinc/07/46/38/139074638.db2.gz DIQOYDIZITVIND-IRXDYDNUSA-N 2 2 345.491 1.723 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000245700523 139083454 /nfs/dbraw/zinc/08/34/54/139083454.db2.gz XPJJDRLQYMXBKF-KBMXLJTQSA-N 2 2 342.447 1.613 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000245700523 139083455 /nfs/dbraw/zinc/08/34/55/139083455.db2.gz XPJJDRLQYMXBKF-KBMXLJTQSA-N 2 2 342.447 1.613 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245899549 139088860 /nfs/dbraw/zinc/08/88/60/139088860.db2.gz FWKDCGCDNSBDIS-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245899549 139088861 /nfs/dbraw/zinc/08/88/61/139088861.db2.gz FWKDCGCDNSBDIS-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000246249514 139101029 /nfs/dbraw/zinc/10/10/29/139101029.db2.gz PFMBMRWZZLZKPY-GOEBONIOSA-N 2 2 325.478 1.036 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000246249514 139101030 /nfs/dbraw/zinc/10/10/30/139101030.db2.gz PFMBMRWZZLZKPY-GOEBONIOSA-N 2 2 325.478 1.036 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000246281251 139102360 /nfs/dbraw/zinc/10/23/60/139102360.db2.gz NPMMCRLKQZCZNI-PVAVHDDUSA-N 2 2 342.447 1.695 20 0 EDADLP C[C@@H]1CC[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000246281251 139102361 /nfs/dbraw/zinc/10/23/61/139102361.db2.gz NPMMCRLKQZCZNI-PVAVHDDUSA-N 2 2 342.447 1.695 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246435389 139108449 /nfs/dbraw/zinc/10/84/49/139108449.db2.gz NJUUEASKAWPJPJ-LSDHHAIUSA-N 2 2 336.436 1.046 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000246435389 139108450 /nfs/dbraw/zinc/10/84/50/139108450.db2.gz NJUUEASKAWPJPJ-LSDHHAIUSA-N 2 2 336.436 1.046 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000246737114 139119566 /nfs/dbraw/zinc/11/95/66/139119566.db2.gz YBODXHYEELOVME-GDBMZVCRSA-N 2 2 329.448 1.858 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000246737114 139119567 /nfs/dbraw/zinc/11/95/67/139119567.db2.gz YBODXHYEELOVME-GDBMZVCRSA-N 2 2 329.448 1.858 20 0 EDADLP CC[C@@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000246806518 139122446 /nfs/dbraw/zinc/12/24/46/139122446.db2.gz KIZNHIATYCWEDE-GOEBONIOSA-N 2 2 344.459 1.648 20 0 EDADLP CC[C@@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC[N@H+]1C[C@H](C)O ZINC000246806518 139122447 /nfs/dbraw/zinc/12/24/47/139122447.db2.gz KIZNHIATYCWEDE-GOEBONIOSA-N 2 2 344.459 1.648 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246897861 139126112 /nfs/dbraw/zinc/12/61/12/139126112.db2.gz FRGNJXBCKQCUBP-VDGAXYAQSA-N 3 2 331.504 1.726 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246897861 139126113 /nfs/dbraw/zinc/12/61/13/139126113.db2.gz FRGNJXBCKQCUBP-VDGAXYAQSA-N 3 2 331.504 1.726 20 0 EDADLP CCc1cc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)nc(C)[nH+]1 ZINC000266029619 248045744 /nfs/dbraw/zinc/04/57/44/248045744.db2.gz RPJRLZQLKBKGPJ-UHFFFAOYSA-N 2 2 345.491 1.872 20 0 EDADLP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C1 ZINC000415355939 304202513 /nfs/dbraw/zinc/20/25/13/304202513.db2.gz PSDSLPBLHKAUFO-LBPRGKRZSA-N 2 2 341.415 1.261 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000247339455 139145441 /nfs/dbraw/zinc/14/54/41/139145441.db2.gz NLFZWFUGDCTINA-HUUCEWRRSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000247339455 139145442 /nfs/dbraw/zinc/14/54/42/139145442.db2.gz NLFZWFUGDCTINA-HUUCEWRRSA-N 2 2 326.485 1.125 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000248146678 139158761 /nfs/dbraw/zinc/15/87/61/139158761.db2.gz QFXQCEFBLXFLJB-GOEBONIOSA-N 2 2 345.443 1.812 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000248146678 139158762 /nfs/dbraw/zinc/15/87/62/139158762.db2.gz QFXQCEFBLXFLJB-GOEBONIOSA-N 2 2 345.443 1.812 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000248146678 139158763 /nfs/dbraw/zinc/15/87/63/139158763.db2.gz QFXQCEFBLXFLJB-GOEBONIOSA-N 2 2 345.443 1.812 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000248146678 139158764 /nfs/dbraw/zinc/15/87/64/139158764.db2.gz QFXQCEFBLXFLJB-GOEBONIOSA-N 2 2 345.443 1.812 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000248141984 139158826 /nfs/dbraw/zinc/15/88/26/139158826.db2.gz PSQQVKHFWNDPIM-YLJYHZDGSA-N 3 2 346.519 1.586 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000248141984 139158827 /nfs/dbraw/zinc/15/88/27/139158827.db2.gz PSQQVKHFWNDPIM-YLJYHZDGSA-N 3 2 346.519 1.586 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(C)on2)[C@@H](C)C1 ZINC000249412849 139192879 /nfs/dbraw/zinc/19/28/79/139192879.db2.gz FPCBAJSWESHXOO-ZFWWWQNUSA-N 2 2 338.452 1.648 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(C)on2)[C@@H](C)C1 ZINC000249412849 139192880 /nfs/dbraw/zinc/19/28/80/139192880.db2.gz FPCBAJSWESHXOO-ZFWWWQNUSA-N 2 2 338.452 1.648 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])c[nH+]2)CCO1 ZINC000261749020 139222829 /nfs/dbraw/zinc/22/28/29/139222829.db2.gz MOPKSHRQQBRCIB-NUEKZKHPSA-N 2 2 332.448 1.298 20 0 EDADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)ccn1 ZINC000261899329 139235074 /nfs/dbraw/zinc/23/50/74/139235074.db2.gz HLJSZEKKPDINMW-VAMGGRTRSA-N 3 2 344.503 1.793 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261878652 139233518 /nfs/dbraw/zinc/23/35/18/139233518.db2.gz UJKYYKPWKNERLB-KUHUBIRLSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261878652 139233519 /nfs/dbraw/zinc/23/35/19/139233519.db2.gz UJKYYKPWKNERLB-KUHUBIRLSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261878657 139233543 /nfs/dbraw/zinc/23/35/43/139233543.db2.gz UJKYYKPWKNERLB-LIRRHRJNSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261878657 139233544 /nfs/dbraw/zinc/23/35/44/139233544.db2.gz UJKYYKPWKNERLB-LIRRHRJNSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3([NH3+])CCOCC3)n2)C1 ZINC000261917933 139236843 /nfs/dbraw/zinc/23/68/43/139236843.db2.gz USJQMBVAAICZHD-GFCCVEGCSA-N 2 2 338.477 1.821 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415488957 304224250 /nfs/dbraw/zinc/22/42/50/304224250.db2.gz ANEXYDXQZFHCJF-AWEZNQCLSA-N 2 2 329.404 1.445 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)COc1cccc2[nH]ccc21 ZINC000569333861 306503707 /nfs/dbraw/zinc/50/37/07/306503707.db2.gz ZZULGNBRECMVHR-ZIAGYGMSSA-N 2 2 326.400 1.709 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000415951613 251038775 /nfs/dbraw/zinc/03/87/75/251038775.db2.gz ZSIPHCXFSSUEQD-HNNXBMFYSA-N 2 2 341.415 1.820 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416150958 251053441 /nfs/dbraw/zinc/05/34/41/251053441.db2.gz NFKSKQFCCRVTGS-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416150958 251053446 /nfs/dbraw/zinc/05/34/46/251053446.db2.gz NFKSKQFCCRVTGS-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416150958 251053451 /nfs/dbraw/zinc/05/34/51/251053451.db2.gz NFKSKQFCCRVTGS-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416150958 251053457 /nfs/dbraw/zinc/05/34/57/251053457.db2.gz NFKSKQFCCRVTGS-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])[NH+]2CCOCC2)c1 ZINC000416988885 251119570 /nfs/dbraw/zinc/11/95/70/251119570.db2.gz CVZQFWXKXOGTHD-MRXNPFEDSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1 ZINC000262316275 139269373 /nfs/dbraw/zinc/26/93/73/139269373.db2.gz QVYDPLIKRZUOBZ-AHIWAGSCSA-N 2 2 328.416 1.735 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NC(C)(C)C[NH3+])[NH+]2CCOCC2)c1 ZINC000417002557 251126577 /nfs/dbraw/zinc/12/65/77/251126577.db2.gz VDCYRKHMBSIHBL-MRXNPFEDSA-N 2 2 334.464 1.405 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417498019 251181157 /nfs/dbraw/zinc/18/11/57/251181157.db2.gz CVOIGXGPUKAYND-OAHLLOKOSA-N 2 2 326.485 1.304 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417498019 251181159 /nfs/dbraw/zinc/18/11/59/251181159.db2.gz CVOIGXGPUKAYND-OAHLLOKOSA-N 2 2 326.485 1.304 20 0 EDADLP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000417659662 251215985 /nfs/dbraw/zinc/21/59/85/251215985.db2.gz LPTQCXACZVJJDW-WFASDCNBSA-N 2 2 340.418 1.818 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000417823397 251284166 /nfs/dbraw/zinc/28/41/66/251284166.db2.gz JUYAHGRWRUVHFM-TZMCWYRMSA-N 2 2 340.493 1.337 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418718716 251395530 /nfs/dbraw/zinc/39/55/30/251395530.db2.gz DSVHPLUCAOYORL-ZDUSSCGKSA-N 2 2 332.439 1.747 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000262814312 139305497 /nfs/dbraw/zinc/30/54/97/139305497.db2.gz VFRFSSMWJYNTRN-HNNXBMFYSA-N 2 2 325.840 1.348 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)[C@@H]1CCC[NH2+]1 ZINC000422882759 252009500 /nfs/dbraw/zinc/00/95/00/252009500.db2.gz TWCCSMSTAKVAPO-VKJFTORMSA-N 2 2 330.432 1.361 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CN1Cc1ccccc1C(F)(F)F ZINC000423056253 252028548 /nfs/dbraw/zinc/02/85/48/252028548.db2.gz XWIREKDSXLJAPD-QWHCGFSZSA-N 2 2 327.350 1.758 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000423414220 252053498 /nfs/dbraw/zinc/05/34/98/252053498.db2.gz MGZNWCHWQRUDAI-IOASZLSFSA-N 2 2 349.431 1.125 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@]2(COC)CCC[NH2+]2)[C@@H]1Oc1ccccc1 ZINC000423414196 252053696 /nfs/dbraw/zinc/05/36/96/252053696.db2.gz MDXCUYRVHURXDL-ZSYWTGECSA-N 2 2 334.460 1.970 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423946758 252107387 /nfs/dbraw/zinc/10/73/87/252107387.db2.gz VLABRUQICZAWGZ-OALUTQOASA-N 2 2 345.487 1.866 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423946758 252107389 /nfs/dbraw/zinc/10/73/89/252107389.db2.gz VLABRUQICZAWGZ-OALUTQOASA-N 2 2 345.487 1.866 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424132490 252135156 /nfs/dbraw/zinc/13/51/56/252135156.db2.gz KSDLMTDYWGPEKX-OAHLLOKOSA-N 2 2 337.387 1.641 20 0 EDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153229723 224077440 /nfs/dbraw/zinc/07/74/40/224077440.db2.gz OPRIESGXMAZVSY-QWHCGFSZSA-N 2 2 345.285 1.592 20 0 EDADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000263065277 139320514 /nfs/dbraw/zinc/32/05/14/139320514.db2.gz VVNXVDXKURMLFJ-OAHLLOKOSA-N 2 2 341.377 1.857 20 0 EDADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000263065277 139320515 /nfs/dbraw/zinc/32/05/15/139320515.db2.gz VVNXVDXKURMLFJ-OAHLLOKOSA-N 2 2 341.377 1.857 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263106836 139322681 /nfs/dbraw/zinc/32/26/81/139322681.db2.gz ZXMQLBDZDFOUSG-HKUYNNGSSA-N 2 2 347.507 1.589 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000569794907 306520311 /nfs/dbraw/zinc/52/03/11/306520311.db2.gz PGXMZFYSPXNFOM-JKSUJKDBSA-N 2 2 326.400 1.645 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263125128 139323767 /nfs/dbraw/zinc/32/37/67/139323767.db2.gz BESZTEIDJFZHSW-CQSZACIVSA-N 2 2 333.423 1.333 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CCC[N@H+](C)C1 ZINC000153686516 224141323 /nfs/dbraw/zinc/14/13/23/224141323.db2.gz DKYAOXYNWBXVDI-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CCC[N@@H+](C)C1 ZINC000153686516 224141325 /nfs/dbraw/zinc/14/13/25/224141325.db2.gz DKYAOXYNWBXVDI-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH+](C)C1 ZINC000153686516 224141328 /nfs/dbraw/zinc/14/13/28/224141328.db2.gz DKYAOXYNWBXVDI-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH+](C)C1 ZINC000153686516 224141331 /nfs/dbraw/zinc/14/13/31/224141331.db2.gz DKYAOXYNWBXVDI-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488766330 255053630 /nfs/dbraw/zinc/05/36/30/255053630.db2.gz NSMPPCMECBRKMC-RDJZCZTQSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488766330 255053631 /nfs/dbraw/zinc/05/36/31/255053631.db2.gz NSMPPCMECBRKMC-RDJZCZTQSA-N 2 2 347.459 1.160 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000490969633 255113957 /nfs/dbraw/zinc/11/39/57/255113957.db2.gz NGBVUDRJPOTACX-GDBMZVCRSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000490969633 255113960 /nfs/dbraw/zinc/11/39/60/255113960.db2.gz NGBVUDRJPOTACX-GDBMZVCRSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000490969633 255113961 /nfs/dbraw/zinc/11/39/61/255113961.db2.gz NGBVUDRJPOTACX-GDBMZVCRSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000490969633 255113963 /nfs/dbraw/zinc/11/39/63/255113963.db2.gz NGBVUDRJPOTACX-GDBMZVCRSA-N 2 2 326.485 1.269 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000492299450 255168870 /nfs/dbraw/zinc/16/88/70/255168870.db2.gz MTDJYKBQLVXCMT-BWPKMQGJSA-N 2 2 332.448 1.533 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000493641555 255217914 /nfs/dbraw/zinc/21/79/14/255217914.db2.gz BMLKRQQAQMMSQU-ONEGZZNKSA-N 2 2 332.448 1.774 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[NH+](C)Cc2ccccc2)CCO1 ZINC000494344684 255246881 /nfs/dbraw/zinc/24/68/81/255246881.db2.gz CCRUIPGCQSXBGF-SFHVURJKSA-N 2 2 348.491 1.528 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)Cc2ccccc2)CCO1 ZINC000494344684 255246882 /nfs/dbraw/zinc/24/68/82/255246882.db2.gz CCRUIPGCQSXBGF-SFHVURJKSA-N 2 2 348.491 1.528 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000494344684 255246883 /nfs/dbraw/zinc/24/68/83/255246883.db2.gz CCRUIPGCQSXBGF-SFHVURJKSA-N 2 2 348.491 1.528 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000494344684 255246884 /nfs/dbraw/zinc/24/68/84/255246884.db2.gz CCRUIPGCQSXBGF-SFHVURJKSA-N 2 2 348.491 1.528 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)CCO1 ZINC000494412067 255249860 /nfs/dbraw/zinc/24/98/60/255249860.db2.gz KGFYFRRZOQNKRD-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)CCO1 ZINC000494412067 255249861 /nfs/dbraw/zinc/24/98/61/255249861.db2.gz KGFYFRRZOQNKRD-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000494412067 255249862 /nfs/dbraw/zinc/24/98/62/255249862.db2.gz KGFYFRRZOQNKRD-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC000494412067 255249863 /nfs/dbraw/zinc/24/98/63/255249863.db2.gz KGFYFRRZOQNKRD-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000494673301 255257238 /nfs/dbraw/zinc/25/72/38/255257238.db2.gz PTMLQWXIHXFGKT-SFHVURJKSA-N 2 2 343.471 1.096 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000494673301 255257239 /nfs/dbraw/zinc/25/72/39/255257239.db2.gz PTMLQWXIHXFGKT-SFHVURJKSA-N 2 2 343.471 1.096 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cn[nH]c1 ZINC000494671407 255257327 /nfs/dbraw/zinc/25/73/27/255257327.db2.gz VPMCRKQYBPUWLW-CVEARBPZSA-N 2 2 341.459 1.966 20 0 EDADLP CN(C[C@H](O)C[NH2+]C[C@]1([NH+](C)C)CCSC1)C(=O)OC(C)(C)C ZINC000496153050 255357807 /nfs/dbraw/zinc/35/78/07/255357807.db2.gz CZQJRFBZFRWHGF-CZUORRHYSA-N 2 2 347.525 1.241 20 0 EDADLP O=C(OCc1ccccc1)N1CCC(C[NH2+]C[C@H]2C[NH2+]CCO2)CC1 ZINC000495988925 255337836 /nfs/dbraw/zinc/33/78/36/255337836.db2.gz JFBQZFODPGBYDV-GOSISDBHSA-N 2 2 347.459 1.613 20 0 EDADLP CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000496291649 255376000 /nfs/dbraw/zinc/37/60/00/255376000.db2.gz IUFHENODENIJKM-SFHVURJKSA-N 2 2 347.459 1.791 20 0 EDADLP CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000496291649 255376001 /nfs/dbraw/zinc/37/60/01/255376001.db2.gz IUFHENODENIJKM-SFHVURJKSA-N 2 2 347.459 1.791 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496313952 255379565 /nfs/dbraw/zinc/37/95/65/255379565.db2.gz SKFMYOOTMZPBSM-AWEZNQCLSA-N 2 2 326.485 1.127 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496313952 255379566 /nfs/dbraw/zinc/37/95/66/255379566.db2.gz SKFMYOOTMZPBSM-AWEZNQCLSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496216378 255365798 /nfs/dbraw/zinc/36/57/98/255365798.db2.gz LVHLOGIIJIBSSM-UHFFFAOYSA-N 2 2 336.436 1.513 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496216378 255365799 /nfs/dbraw/zinc/36/57/99/255365799.db2.gz LVHLOGIIJIBSSM-UHFFFAOYSA-N 2 2 336.436 1.513 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264343182 139398791 /nfs/dbraw/zinc/39/87/91/139398791.db2.gz VVHYAMSUYHDRSL-GOSISDBHSA-N 2 2 326.444 1.954 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264343182 139398792 /nfs/dbraw/zinc/39/87/92/139398792.db2.gz VVHYAMSUYHDRSL-GOSISDBHSA-N 2 2 326.444 1.954 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1 ZINC000415930286 304285974 /nfs/dbraw/zinc/28/59/74/304285974.db2.gz KAPOEPWIGHZLRZ-YOEHRIQHSA-N 2 2 332.448 1.733 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[NH2+]C3CC3)CCCCCC2)no1 ZINC000571685766 306571946 /nfs/dbraw/zinc/57/19/46/306571946.db2.gz NWKUGQBLYWJEDV-UHFFFAOYSA-N 2 2 335.452 1.549 20 0 EDADLP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269828989 140001955 /nfs/dbraw/zinc/00/19/55/140001955.db2.gz PGRUGNABHKLBIO-HKUYNNGSSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269828989 140001956 /nfs/dbraw/zinc/00/19/56/140001956.db2.gz PGRUGNABHKLBIO-HKUYNNGSSA-N 2 2 345.487 1.566 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000270807450 140173303 /nfs/dbraw/zinc/17/33/03/140173303.db2.gz OREWDKPBUCTFSJ-HKUYNNGSSA-N 2 2 331.460 1.131 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000271195083 140254604 /nfs/dbraw/zinc/25/46/04/140254604.db2.gz SDSKETOQDNIBIF-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000271195083 140254606 /nfs/dbraw/zinc/25/46/06/140254606.db2.gz SDSKETOQDNIBIF-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000416302474 304306712 /nfs/dbraw/zinc/30/67/12/304306712.db2.gz WNZDQJBLUPTMIO-HZPDHXFCSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000416302474 304306713 /nfs/dbraw/zinc/30/67/13/304306713.db2.gz WNZDQJBLUPTMIO-HZPDHXFCSA-N 2 2 342.443 1.459 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000572027101 306579806 /nfs/dbraw/zinc/57/98/06/306579806.db2.gz ZASAQUIRLUUXLG-OWSLCNJRSA-N 2 2 331.460 1.993 20 0 EDADLP C[C@@]1(CO)CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331462089 141033652 /nfs/dbraw/zinc/03/36/52/141033652.db2.gz NMIGHFXMDLRESL-APWZRJJASA-N 2 2 346.475 1.261 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@@H]1C ZINC000331598912 141054197 /nfs/dbraw/zinc/05/41/97/141054197.db2.gz QJFCPAUMBYZKMT-HUUCEWRRSA-N 2 2 331.464 1.964 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331797965 141082214 /nfs/dbraw/zinc/08/22/14/141082214.db2.gz LSTDIYNDOKWBGS-HNNXBMFYSA-N 2 2 345.447 1.374 20 0 EDADLP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331961040 141103546 /nfs/dbraw/zinc/10/35/46/141103546.db2.gz UWLMHLVCZLWPAN-HNNXBMFYSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000332102132 141123328 /nfs/dbraw/zinc/12/33/28/141123328.db2.gz CSBFFURAEZRAJD-AWEZNQCLSA-N 2 2 332.452 1.102 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000332543427 141199905 /nfs/dbraw/zinc/19/99/05/141199905.db2.gz LXDNNGGYIWKCOF-ZBFHGGJFSA-N 2 2 331.464 1.962 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NC[C@H]1CCCO1 ZINC000332691744 141229507 /nfs/dbraw/zinc/22/95/07/141229507.db2.gz UCPLZSBPYNKDJN-NVXWUHKLSA-N 2 2 346.475 1.694 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NC[C@H]1CCCO1 ZINC000332691744 141229508 /nfs/dbraw/zinc/22/95/08/141229508.db2.gz UCPLZSBPYNKDJN-NVXWUHKLSA-N 2 2 346.475 1.694 20 0 EDADLP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000333208372 141281350 /nfs/dbraw/zinc/28/13/50/141281350.db2.gz CGXBBYUGPTXNDO-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP [NH3+][C@@H]1C[C@@H](NCC2([NH+]3CCOCC3)CCOCC2)c2ccccc21 ZINC000333290136 141293615 /nfs/dbraw/zinc/29/36/15/141293615.db2.gz OMTIGUUNTKLDME-QZTJIDSGSA-N 2 2 331.460 1.602 20 0 EDADLP O=C(NC[C@H]1CCCn2ccnc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333468991 141322465 /nfs/dbraw/zinc/32/24/65/141322465.db2.gz RAONKGUQAGNVNQ-HZPDHXFCSA-N 2 2 347.463 1.267 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333468991 141322467 /nfs/dbraw/zinc/32/24/67/141322467.db2.gz RAONKGUQAGNVNQ-HZPDHXFCSA-N 2 2 347.463 1.267 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)C[C@@H]21 ZINC000333617301 141345744 /nfs/dbraw/zinc/34/57/44/141345744.db2.gz YXGVFBPSHSDICK-LVQVYYBASA-N 2 2 331.464 1.391 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C[C@@H]21 ZINC000333617301 141345745 /nfs/dbraw/zinc/34/57/45/141345745.db2.gz YXGVFBPSHSDICK-LVQVYYBASA-N 2 2 331.464 1.391 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)s1 ZINC000333756660 141374149 /nfs/dbraw/zinc/37/41/49/141374149.db2.gz ZWVILUIRHRONNG-IUODEOHRSA-N 2 2 337.493 1.277 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000339616235 142095326 /nfs/dbraw/zinc/09/53/26/142095326.db2.gz ZPIFSLSUTACCQK-MRXNPFEDSA-N 2 2 337.468 1.238 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000345040354 143042596 /nfs/dbraw/zinc/04/25/96/143042596.db2.gz YBNSETYZVRGJDP-QFBILLFUSA-N 3 2 349.523 1.503 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000345040354 143042597 /nfs/dbraw/zinc/04/25/97/143042597.db2.gz YBNSETYZVRGJDP-QFBILLFUSA-N 3 2 349.523 1.503 20 0 EDADLP CN(CCc1ccccc1O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000345677138 143120211 /nfs/dbraw/zinc/12/02/11/143120211.db2.gz YSTOYOBSBSMGBZ-UHFFFAOYSA-N 2 2 348.491 1.602 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)C[C@H]1CCC[NH+](C)C1 ZINC000345744543 143128092 /nfs/dbraw/zinc/12/80/92/143128092.db2.gz YTQOAFLHKSTNND-HOTGVXAUSA-N 2 2 347.459 1.216 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)C[C@H]1CCC[NH+](C)C1 ZINC000345744543 143128093 /nfs/dbraw/zinc/12/80/93/143128093.db2.gz YTQOAFLHKSTNND-HOTGVXAUSA-N 2 2 347.459 1.216 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1COc2ccccc2O1)C[C@H]1CCC[N@H+](C)C1 ZINC000345744543 143128094 /nfs/dbraw/zinc/12/80/94/143128094.db2.gz YTQOAFLHKSTNND-HOTGVXAUSA-N 2 2 347.459 1.216 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1COc2ccccc2O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000345744543 143128095 /nfs/dbraw/zinc/12/80/95/143128095.db2.gz YTQOAFLHKSTNND-HOTGVXAUSA-N 2 2 347.459 1.216 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000345822187 143137039 /nfs/dbraw/zinc/13/70/39/143137039.db2.gz XILDOWUNLOQLIE-UHFFFAOYSA-N 2 2 335.496 1.540 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000345822187 143137040 /nfs/dbraw/zinc/13/70/40/143137040.db2.gz XILDOWUNLOQLIE-UHFFFAOYSA-N 2 2 335.496 1.540 20 0 EDADLP [NH3+][C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000346088578 143166297 /nfs/dbraw/zinc/16/62/97/143166297.db2.gz KDVPMEDWCGAHIK-INIZCTEOSA-N 2 2 334.439 1.288 20 0 EDADLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000346088578 143166298 /nfs/dbraw/zinc/16/62/98/143166298.db2.gz KDVPMEDWCGAHIK-INIZCTEOSA-N 2 2 334.439 1.288 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000346133228 143171061 /nfs/dbraw/zinc/17/10/61/143171061.db2.gz DLUZGTNRJVIRJE-IEBWSBKVSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000346133228 143171062 /nfs/dbraw/zinc/17/10/62/143171062.db2.gz DLUZGTNRJVIRJE-IEBWSBKVSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000346133228 143171063 /nfs/dbraw/zinc/17/10/63/143171063.db2.gz DLUZGTNRJVIRJE-IEBWSBKVSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000346133228 143171064 /nfs/dbraw/zinc/17/10/64/143171064.db2.gz DLUZGTNRJVIRJE-IEBWSBKVSA-N 2 2 344.503 1.261 20 0 EDADLP CC(C)n1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000346584298 143218932 /nfs/dbraw/zinc/21/89/32/143218932.db2.gz WSBFAMPVUNCKER-HNNXBMFYSA-N 2 2 333.480 1.705 20 0 EDADLP CC(C)n1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000346584298 143218933 /nfs/dbraw/zinc/21/89/33/143218933.db2.gz WSBFAMPVUNCKER-HNNXBMFYSA-N 2 2 333.480 1.705 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000346698686 143233649 /nfs/dbraw/zinc/23/36/49/143233649.db2.gz ADKJGFAZKJDJDN-KURKYZTESA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000346698686 143233650 /nfs/dbraw/zinc/23/36/50/143233650.db2.gz ADKJGFAZKJDJDN-KURKYZTESA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[N@H+](C)C1 ZINC000346698686 143233651 /nfs/dbraw/zinc/23/36/51/143233651.db2.gz ADKJGFAZKJDJDN-KURKYZTESA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[N@@H+](C)C1 ZINC000346698686 143233652 /nfs/dbraw/zinc/23/36/52/143233652.db2.gz ADKJGFAZKJDJDN-KURKYZTESA-N 2 2 331.460 1.438 20 0 EDADLP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346827269 143249601 /nfs/dbraw/zinc/24/96/01/143249601.db2.gz HZDIJCJQTCKHDH-YSVLISHTSA-N 2 2 336.432 1.565 20 0 EDADLP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346827269 143249602 /nfs/dbraw/zinc/24/96/02/143249602.db2.gz HZDIJCJQTCKHDH-YSVLISHTSA-N 2 2 336.432 1.565 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc(C)n1 ZINC000347984210 143387505 /nfs/dbraw/zinc/38/75/05/143387505.db2.gz AXYYDAMOXLYOND-SJPCQFCGSA-N 2 2 343.475 1.476 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc(C)n1 ZINC000347984210 143387506 /nfs/dbraw/zinc/38/75/06/143387506.db2.gz AXYYDAMOXLYOND-SJPCQFCGSA-N 2 2 343.475 1.476 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCC[C@H]1O ZINC000352660461 149104113 /nfs/dbraw/zinc/10/41/13/149104113.db2.gz SFTVJAOJSZOTTJ-HZPDHXFCSA-N 2 2 337.489 1.238 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCC[C@H]1O ZINC000352660461 149104114 /nfs/dbraw/zinc/10/41/14/149104114.db2.gz SFTVJAOJSZOTTJ-HZPDHXFCSA-N 2 2 337.489 1.238 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000352744728 149145263 /nfs/dbraw/zinc/14/52/63/149145263.db2.gz QFOCQTNFHRNEKU-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000352744728 149145264 /nfs/dbraw/zinc/14/52/64/149145264.db2.gz QFOCQTNFHRNEKU-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1ccc(F)cc1 ZINC000416897638 304354338 /nfs/dbraw/zinc/35/43/38/304354338.db2.gz AJAGQYVODQPOKU-GJZGRUSLSA-N 2 2 331.395 1.685 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000352805810 149174081 /nfs/dbraw/zinc/17/40/81/149174081.db2.gz NEGAXIOLNXAGBX-IEBWSBKVSA-N 2 2 343.471 1.685 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000352805810 149174085 /nfs/dbraw/zinc/17/40/85/149174085.db2.gz NEGAXIOLNXAGBX-IEBWSBKVSA-N 2 2 343.471 1.685 20 0 EDADLP COc1cc(C[C@H](CO)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc(OC)c1 ZINC000352808944 149175608 /nfs/dbraw/zinc/17/56/08/149175608.db2.gz DQKGPBCLNXFDPO-PTSWNOGYSA-N 2 2 348.487 1.927 20 0 EDADLP COc1cc(C[C@H](CO)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc(OC)c1 ZINC000352808944 149175609 /nfs/dbraw/zinc/17/56/09/149175609.db2.gz DQKGPBCLNXFDPO-PTSWNOGYSA-N 2 2 348.487 1.927 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)[C@@H](C)C[N@@H+]1C ZINC000352818673 149179490 /nfs/dbraw/zinc/17/94/90/149179490.db2.gz OJORPPZVGDXUTN-AOIWGVFYSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)[C@@H](C)C[N@H+]1C ZINC000352818673 149179493 /nfs/dbraw/zinc/17/94/93/149179493.db2.gz OJORPPZVGDXUTN-AOIWGVFYSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000352957009 149229664 /nfs/dbraw/zinc/22/96/64/149229664.db2.gz MMKJYDZGZKGIHO-IAGOWNOFSA-N 2 2 346.523 1.533 20 0 EDADLP COc1ccc([C@@H](NC(=O)NCC2([NH3+])CCC2)c2[nH+]ccn2C)cc1 ZINC000416902604 304355092 /nfs/dbraw/zinc/35/50/92/304355092.db2.gz DTTMDVDBMMGCKL-OAHLLOKOSA-N 2 2 343.431 1.699 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1C[NH3+] ZINC000416972007 304357759 /nfs/dbraw/zinc/35/77/59/304357759.db2.gz FJJDQUYMGPXDAY-GOEBONIOSA-N 2 2 331.464 1.808 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2Cc3ccccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354947337 150049073 /nfs/dbraw/zinc/04/90/73/150049073.db2.gz MJUQZWABXJAGCM-KXBFYZLASA-N 2 2 327.472 1.953 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2Cc3ccccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354947337 150049076 /nfs/dbraw/zinc/04/90/76/150049076.db2.gz MJUQZWABXJAGCM-KXBFYZLASA-N 2 2 327.472 1.953 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCCSC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355070282 150103157 /nfs/dbraw/zinc/10/31/57/150103157.db2.gz MLSXUQHZLOKHRE-LSDHHAIUSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCCSC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355070282 150103158 /nfs/dbraw/zinc/10/31/58/150103158.db2.gz MLSXUQHZLOKHRE-LSDHHAIUSA-N 2 2 340.537 1.692 20 0 EDADLP CS(=O)(=O)C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000355409410 150257047 /nfs/dbraw/zinc/25/70/47/150257047.db2.gz FCWJYGIFOGNQQL-UHFFFAOYSA-N 2 2 325.459 1.991 20 0 EDADLP CC(C)[NH+](CCN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1)C(C)C ZINC000355577465 150321128 /nfs/dbraw/zinc/32/11/28/150321128.db2.gz ABAQESMOPJPHII-MRXNPFEDSA-N 2 2 335.496 1.993 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417031852 304362980 /nfs/dbraw/zinc/36/29/80/304362980.db2.gz GXOPOGKPKASHQO-ROUUACIJSA-N 2 2 348.491 1.877 20 0 EDADLP Cc1ccc(C[N@@H+](CCO)Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000355656321 150351452 /nfs/dbraw/zinc/35/14/52/150351452.db2.gz VFMVENSXOJQUQM-UHFFFAOYSA-N 2 2 345.447 1.124 20 0 EDADLP Cc1ccc(C[N@H+](CCO)Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000355656321 150351455 /nfs/dbraw/zinc/35/14/55/150351455.db2.gz VFMVENSXOJQUQM-UHFFFAOYSA-N 2 2 345.447 1.124 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417039152 304364815 /nfs/dbraw/zinc/36/48/15/304364815.db2.gz NSZSBMUVIXXTMH-BHYGNILZSA-N 2 2 332.448 1.191 20 0 EDADLP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000370031790 155291107 /nfs/dbraw/zinc/29/11/07/155291107.db2.gz PIWGAYJMKVGDAO-CVEARBPZSA-N 2 2 333.480 1.511 20 0 EDADLP Cc1cc(=O)[nH]c([C@@H](C)[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000370031790 155291108 /nfs/dbraw/zinc/29/11/08/155291108.db2.gz PIWGAYJMKVGDAO-CVEARBPZSA-N 2 2 333.480 1.511 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1c[nH+]cn1C ZINC000357353835 151005995 /nfs/dbraw/zinc/00/59/95/151005995.db2.gz LWROAVYLXHQXCD-DOTOQJQBSA-N 2 2 347.438 1.581 20 0 EDADLP [NH3+]CC[C@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417064289 304368527 /nfs/dbraw/zinc/36/85/27/304368527.db2.gz AJQQGJJNBOBHGL-OAHLLOKOSA-N 2 2 331.464 1.821 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357644318 151097889 /nfs/dbraw/zinc/09/78/89/151097889.db2.gz HNIQWTFCTSCRDD-MRXNPFEDSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357644318 151097890 /nfs/dbraw/zinc/09/78/90/151097890.db2.gz HNIQWTFCTSCRDD-MRXNPFEDSA-N 2 2 333.476 1.388 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721879 151125771 /nfs/dbraw/zinc/12/57/71/151125771.db2.gz OQJLGEXVPPUMLD-INIZCTEOSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721879 151125774 /nfs/dbraw/zinc/12/57/74/151125774.db2.gz OQJLGEXVPPUMLD-INIZCTEOSA-N 2 2 345.487 1.348 20 0 EDADLP C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000358071314 151257487 /nfs/dbraw/zinc/25/74/87/151257487.db2.gz XBIRQIPIAGJXCF-GOSISDBHSA-N 2 2 327.384 1.670 20 0 EDADLP C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000358071314 151257488 /nfs/dbraw/zinc/25/74/88/151257488.db2.gz XBIRQIPIAGJXCF-GOSISDBHSA-N 2 2 327.384 1.670 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000358136732 151285132 /nfs/dbraw/zinc/28/51/32/151285132.db2.gz LTQHVAIMFWJPRV-KRWDZBQOSA-N 2 2 347.440 1.695 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000358136732 151285134 /nfs/dbraw/zinc/28/51/34/151285134.db2.gz LTQHVAIMFWJPRV-KRWDZBQOSA-N 2 2 347.440 1.695 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000358182092 151297752 /nfs/dbraw/zinc/29/77/52/151297752.db2.gz COZVFQUYQJDKJC-UHFFFAOYSA-N 2 2 343.475 1.561 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000358182092 151297755 /nfs/dbraw/zinc/29/77/55/151297755.db2.gz COZVFQUYQJDKJC-UHFFFAOYSA-N 2 2 343.475 1.561 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000358294343 151328697 /nfs/dbraw/zinc/32/86/97/151328697.db2.gz YXFIUHSBURYKIG-XJKCOSOUSA-N 2 2 328.453 1.918 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000358294343 151328700 /nfs/dbraw/zinc/32/87/00/151328700.db2.gz YXFIUHSBURYKIG-XJKCOSOUSA-N 2 2 328.453 1.918 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000358313155 151333574 /nfs/dbraw/zinc/33/35/74/151333574.db2.gz NGFVTRYBEROIRV-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000358313155 151333576 /nfs/dbraw/zinc/33/35/76/151333576.db2.gz NGFVTRYBEROIRV-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP O=C(C[N@@H+]1CCc2sccc2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000370137559 155342976 /nfs/dbraw/zinc/34/29/76/155342976.db2.gz CRCXBXBOZSVFOZ-HNNXBMFYSA-N 2 2 349.500 1.287 20 0 EDADLP O=C(C[N@H+]1CCc2sccc2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000370137559 155342977 /nfs/dbraw/zinc/34/29/77/155342977.db2.gz CRCXBXBOZSVFOZ-HNNXBMFYSA-N 2 2 349.500 1.287 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CO)c2cccc(F)c2)CC1 ZINC000360964967 152265700 /nfs/dbraw/zinc/26/57/00/152265700.db2.gz ZHKSTBPLVKGJPO-KRWDZBQOSA-N 2 2 338.423 1.866 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000361046012 152288238 /nfs/dbraw/zinc/28/82/38/152288238.db2.gz ZHEQDCYPHXHDBQ-IBGZPJMESA-N 2 2 341.459 1.269 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000361046012 152288239 /nfs/dbraw/zinc/28/82/39/152288239.db2.gz ZHEQDCYPHXHDBQ-IBGZPJMESA-N 2 2 341.459 1.269 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361075541 152296289 /nfs/dbraw/zinc/29/62/89/152296289.db2.gz ZPORVMGTQALNRP-UHFFFAOYSA-N 2 2 349.479 2.000 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OC)C2)CC1 ZINC000361136562 152317757 /nfs/dbraw/zinc/31/77/57/152317757.db2.gz QGPQNFZUNZZKKE-DZGCQCFKSA-N 2 2 326.437 1.335 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(C)n1 ZINC000361351834 152368777 /nfs/dbraw/zinc/36/87/77/152368777.db2.gz MVJXMDCMDAEAPK-AWEZNQCLSA-N 2 2 333.480 1.687 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000361359819 152372105 /nfs/dbraw/zinc/37/21/05/152372105.db2.gz HIQVQDFLGUJNSV-DOTOQJQBSA-N 2 2 348.516 1.343 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000361359819 152372106 /nfs/dbraw/zinc/37/21/06/152372106.db2.gz HIQVQDFLGUJNSV-DOTOQJQBSA-N 2 2 348.516 1.343 20 0 EDADLP Cc1cc(N2CC[C@H]([NH2+]C[C@@H]3CCCn4cc[nH+]c43)C2=O)n(C)n1 ZINC000361450974 152399985 /nfs/dbraw/zinc/39/99/85/152399985.db2.gz QUJDXKRJJLAKLA-KBPBESRZSA-N 2 2 328.420 1.198 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000370172559 155361538 /nfs/dbraw/zinc/36/15/38/155361538.db2.gz KPCBAVSFANXPRJ-RDJZCZTQSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000370172559 155361541 /nfs/dbraw/zinc/36/15/41/155361541.db2.gz KPCBAVSFANXPRJ-RDJZCZTQSA-N 2 2 346.475 1.547 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)n1C1CC1 ZINC000363711589 153036720 /nfs/dbraw/zinc/03/67/20/153036720.db2.gz ZEJCFWBCRJDOOP-XOKHGSTOSA-N 2 2 333.480 1.900 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)n1C1CC1 ZINC000363711589 153036722 /nfs/dbraw/zinc/03/67/22/153036722.db2.gz ZEJCFWBCRJDOOP-XOKHGSTOSA-N 2 2 333.480 1.900 20 0 EDADLP Cc1cncc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000364146116 153155686 /nfs/dbraw/zinc/15/56/86/153155686.db2.gz FSTJDOUZOBDUJV-FUHWJXTLSA-N 2 2 346.475 1.364 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000364188895 153166860 /nfs/dbraw/zinc/16/68/60/153166860.db2.gz GYXKARYCTXSAIS-LJQANCHMSA-N 2 2 345.487 1.460 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000364188895 153166862 /nfs/dbraw/zinc/16/68/62/153166862.db2.gz GYXKARYCTXSAIS-LJQANCHMSA-N 2 2 345.487 1.460 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC(=O)c3cccs3)C2)CC1 ZINC000364208811 153174561 /nfs/dbraw/zinc/17/45/61/153174561.db2.gz TULXXRYZPJTXPH-AWEZNQCLSA-N 2 2 349.500 1.996 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC(=O)c3cccs3)C2)CC1 ZINC000364208811 153174564 /nfs/dbraw/zinc/17/45/64/153174564.db2.gz TULXXRYZPJTXPH-AWEZNQCLSA-N 2 2 349.500 1.996 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3ccccn3)C2)CC1 ZINC000364232345 153181223 /nfs/dbraw/zinc/18/12/23/153181223.db2.gz YKMMFLVCVVEHMP-MRXNPFEDSA-N 2 2 331.464 1.092 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3ccccn3)C2)CC1 ZINC000364232345 153181227 /nfs/dbraw/zinc/18/12/27/153181227.db2.gz YKMMFLVCVVEHMP-MRXNPFEDSA-N 2 2 331.464 1.092 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364275662 153194049 /nfs/dbraw/zinc/19/40/49/153194049.db2.gz ZUAWVUUTMBXDGS-SFHVURJKSA-N 3 2 344.503 1.647 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364275662 153194054 /nfs/dbraw/zinc/19/40/54/153194054.db2.gz ZUAWVUUTMBXDGS-SFHVURJKSA-N 3 2 344.503 1.647 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)C1CCN(c2ncccn2)CC1 ZINC000364595939 153282211 /nfs/dbraw/zinc/28/22/11/153282211.db2.gz RFXCGZYKBIATQB-UHFFFAOYSA-N 2 2 349.398 1.912 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000364735142 153318959 /nfs/dbraw/zinc/31/89/59/153318959.db2.gz MLLLWNBLSGMLHU-KRWDZBQOSA-N 2 2 332.448 1.195 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000364735142 153318960 /nfs/dbraw/zinc/31/89/60/153318960.db2.gz MLLLWNBLSGMLHU-KRWDZBQOSA-N 2 2 332.448 1.195 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000364735142 153318962 /nfs/dbraw/zinc/31/89/62/153318962.db2.gz MLLLWNBLSGMLHU-KRWDZBQOSA-N 2 2 332.448 1.195 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000364735142 153318964 /nfs/dbraw/zinc/31/89/64/153318964.db2.gz MLLLWNBLSGMLHU-KRWDZBQOSA-N 2 2 332.448 1.195 20 0 EDADLP CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000364916852 153368529 /nfs/dbraw/zinc/36/85/29/153368529.db2.gz OYLGHJZDWAJWSS-OAHLLOKOSA-N 2 2 331.460 1.853 20 0 EDADLP CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000364916852 153368530 /nfs/dbraw/zinc/36/85/30/153368530.db2.gz OYLGHJZDWAJWSS-OAHLLOKOSA-N 2 2 331.460 1.853 20 0 EDADLP C[C@H]1C[C@H](CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000364941470 153378348 /nfs/dbraw/zinc/37/83/48/153378348.db2.gz OSPDMIFBRJQXQS-ZWKOTPCHSA-N 2 2 339.524 1.578 20 0 EDADLP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000364941470 153378350 /nfs/dbraw/zinc/37/83/50/153378350.db2.gz OSPDMIFBRJQXQS-ZWKOTPCHSA-N 2 2 339.524 1.578 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000367111101 154011741 /nfs/dbraw/zinc/01/17/41/154011741.db2.gz RTLDTDHAKGVADC-SFHVURJKSA-N 2 2 344.503 1.893 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000367111101 154011743 /nfs/dbraw/zinc/01/17/43/154011743.db2.gz RTLDTDHAKGVADC-SFHVURJKSA-N 2 2 344.503 1.893 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367138695 154019952 /nfs/dbraw/zinc/01/99/52/154019952.db2.gz HPEDZXAPIVBUOZ-GJZGRUSLSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367138695 154019954 /nfs/dbraw/zinc/01/99/54/154019954.db2.gz HPEDZXAPIVBUOZ-GJZGRUSLSA-N 2 2 336.480 1.561 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367289599 154067781 /nfs/dbraw/zinc/06/77/81/154067781.db2.gz AZQJQGYNMIKXOG-YFCVBGDOSA-N 2 2 332.354 1.951 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000367394145 154103431 /nfs/dbraw/zinc/10/34/31/154103431.db2.gz KVQCDWAMMSBPOB-SFHVURJKSA-N 2 2 346.475 1.470 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)nc4sc(C)nn34)C2)CC1 ZINC000367422804 154115613 /nfs/dbraw/zinc/11/56/13/154115613.db2.gz NKULZWLPLVOOPF-OAHLLOKOSA-N 2 2 348.520 1.619 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)nc4sc(C)nn34)C2)CC1 ZINC000367422804 154115618 /nfs/dbraw/zinc/11/56/18/154115618.db2.gz NKULZWLPLVOOPF-OAHLLOKOSA-N 2 2 348.520 1.619 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCc2ncccc2C1)c1ccccc1 ZINC000367876652 154307620 /nfs/dbraw/zinc/30/76/20/154307620.db2.gz MOUBZFTTXVFQHB-LJQANCHMSA-N 2 2 338.455 1.859 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCc2ncccc2C1)c1ccccc1 ZINC000367876652 154307624 /nfs/dbraw/zinc/30/76/24/154307624.db2.gz MOUBZFTTXVFQHB-LJQANCHMSA-N 2 2 338.455 1.859 20 0 EDADLP C[N@@H+](Cc1nnnn1CC(F)(F)F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368073855 154398252 /nfs/dbraw/zinc/39/82/52/154398252.db2.gz SXTSWOSJBJZPFQ-JTQLQIEISA-N 2 2 329.330 1.126 20 0 EDADLP C[N@H+](Cc1nnnn1CC(F)(F)F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368073855 154398256 /nfs/dbraw/zinc/39/82/56/154398256.db2.gz SXTSWOSJBJZPFQ-JTQLQIEISA-N 2 2 329.330 1.126 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)NCC[N@@H+](C)C3CC3)CC2)oc1C ZINC000369523388 155070713 /nfs/dbraw/zinc/07/07/13/155070713.db2.gz VFWONPOXTAOSPF-UHFFFAOYSA-N 2 2 349.479 1.603 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)NCC[N@H+](C)C3CC3)CC2)oc1C ZINC000369523388 155070716 /nfs/dbraw/zinc/07/07/16/155070716.db2.gz VFWONPOXTAOSPF-UHFFFAOYSA-N 2 2 349.479 1.603 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)NCC[NH+](C)C3CC3)CC2)oc1C ZINC000369523388 155070719 /nfs/dbraw/zinc/07/07/19/155070719.db2.gz VFWONPOXTAOSPF-UHFFFAOYSA-N 2 2 349.479 1.603 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NCC[NH+](C)C3CC3)CC2)oc1C ZINC000369523388 155070721 /nfs/dbraw/zinc/07/07/21/155070721.db2.gz VFWONPOXTAOSPF-UHFFFAOYSA-N 2 2 349.479 1.603 20 0 EDADLP O=C(NC[C@@H]1CCn2cc[nH+]c2C1)NC1CC[NH+](CC2CC2)CC1 ZINC000369643238 155119278 /nfs/dbraw/zinc/11/92/78/155119278.db2.gz YUSSREQMGOUAGG-OAHLLOKOSA-N 2 2 331.464 1.619 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCOc3ccc(F)cc3)CCO2)CC1 ZINC000371557704 156001949 /nfs/dbraw/zinc/00/19/49/156001949.db2.gz ZEGAFIGHTNLXSO-GOSISDBHSA-N 2 2 337.439 1.153 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)CCO2)CC1 ZINC000371557704 156001953 /nfs/dbraw/zinc/00/19/53/156001953.db2.gz ZEGAFIGHTNLXSO-GOSISDBHSA-N 2 2 337.439 1.153 20 0 EDADLP c1ccc2c(c1)C=C(C[NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CO2 ZINC000371663424 156050222 /nfs/dbraw/zinc/05/02/22/156050222.db2.gz ILTKCDSBFGZSFT-IBGZPJMESA-N 2 2 343.471 1.459 20 0 EDADLP CC(=O)NCCC[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000371814165 156116908 /nfs/dbraw/zinc/11/69/08/156116908.db2.gz CPEFVFOTWOYELQ-UHFFFAOYSA-N 2 2 333.480 1.172 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[N@H+](CC)C2CC2)CC1 ZINC000372148812 156243846 /nfs/dbraw/zinc/24/38/46/156243846.db2.gz GNHRMXNXKJKEAL-UHFFFAOYSA-N 2 2 333.480 1.422 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000372148812 156243850 /nfs/dbraw/zinc/24/38/50/156243850.db2.gz GNHRMXNXKJKEAL-UHFFFAOYSA-N 2 2 333.480 1.422 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)[NH+]2CCOCC2)c1 ZINC000372434459 156388640 /nfs/dbraw/zinc/38/86/40/156388640.db2.gz AEBOUCDJRRWILR-WSTZPKSXSA-N 2 2 343.471 1.484 20 0 EDADLP Cc1cc(NC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(C)c[nH+]1 ZINC000372443251 156392743 /nfs/dbraw/zinc/39/27/43/156392743.db2.gz JWUQWZZNAWIXJE-HNNXBMFYSA-N 2 2 332.448 1.837 20 0 EDADLP Cc1cc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c(C)c[nH+]1 ZINC000372443251 156392745 /nfs/dbraw/zinc/39/27/45/156392745.db2.gz JWUQWZZNAWIXJE-HNNXBMFYSA-N 2 2 332.448 1.837 20 0 EDADLP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000372444025 156393115 /nfs/dbraw/zinc/39/31/15/156393115.db2.gz APDAQYRLPGKVEK-OAHLLOKOSA-N 2 2 347.507 1.392 20 0 EDADLP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000372444025 156393120 /nfs/dbraw/zinc/39/31/20/156393120.db2.gz APDAQYRLPGKVEK-OAHLLOKOSA-N 2 2 347.507 1.392 20 0 EDADLP C[NH+]1CCC2(CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000373985032 157095629 /nfs/dbraw/zinc/09/56/29/157095629.db2.gz HTSFJEZUICRYJS-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP C[NH+]1CCC2(CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000373985032 157095632 /nfs/dbraw/zinc/09/56/32/157095632.db2.gz HTSFJEZUICRYJS-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1F ZINC000374336045 157249522 /nfs/dbraw/zinc/24/95/22/157249522.db2.gz BOEGOBVZYVYIQH-MRXNPFEDSA-N 2 2 337.439 1.330 20 0 EDADLP CCSCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374497992 157308723 /nfs/dbraw/zinc/30/87/23/157308723.db2.gz VMGNMMCRSDFCEN-CQSZACIVSA-N 2 2 328.526 1.597 20 0 EDADLP CCSCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374497992 157308727 /nfs/dbraw/zinc/30/87/27/157308727.db2.gz VMGNMMCRSDFCEN-CQSZACIVSA-N 2 2 328.526 1.597 20 0 EDADLP COc1nccnc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000575314148 306668099 /nfs/dbraw/zinc/66/80/99/306668099.db2.gz RRSGFXSJACNYJP-OAHLLOKOSA-N 2 2 347.488 1.625 20 0 EDADLP CC(C)Cn1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000374721663 157378412 /nfs/dbraw/zinc/37/84/12/157378412.db2.gz UOPXTFWJKHNTTD-PKOBYXMFSA-N 2 2 333.524 1.997 20 0 EDADLP CC(C)Cn1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000374721663 157378414 /nfs/dbraw/zinc/37/84/14/157378414.db2.gz UOPXTFWJKHNTTD-PKOBYXMFSA-N 2 2 333.524 1.997 20 0 EDADLP COC(=O)c1ccccc1C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374748003 157386741 /nfs/dbraw/zinc/38/67/41/157386741.db2.gz HEWDKNKQRYVMAF-UHFFFAOYSA-N 2 2 345.443 1.212 20 0 EDADLP COC(=O)c1ccccc1C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374748003 157386744 /nfs/dbraw/zinc/38/67/44/157386744.db2.gz HEWDKNKQRYVMAF-UHFFFAOYSA-N 2 2 345.443 1.212 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000378010648 158056012 /nfs/dbraw/zinc/05/60/12/158056012.db2.gz SUEUHZMOOKZXML-JKSUJKDBSA-N 2 2 349.479 1.340 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000378207915 158109713 /nfs/dbraw/zinc/10/97/13/158109713.db2.gz TZKUPMDRHZESNV-QFBILLFUSA-N 2 2 349.450 1.438 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)on1 ZINC000378300105 158133727 /nfs/dbraw/zinc/13/37/27/158133727.db2.gz VGAPSZAETDVCOK-CVEARBPZSA-N 2 2 349.479 1.269 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)on1 ZINC000378300105 158133730 /nfs/dbraw/zinc/13/37/30/158133730.db2.gz VGAPSZAETDVCOK-CVEARBPZSA-N 2 2 349.479 1.269 20 0 EDADLP COCc1noc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000378519254 158197194 /nfs/dbraw/zinc/19/71/94/158197194.db2.gz OZMINRGZPJCVOW-UHFFFAOYSA-N 2 2 346.435 1.724 20 0 EDADLP COCc1noc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000378519254 158197195 /nfs/dbraw/zinc/19/71/95/158197195.db2.gz OZMINRGZPJCVOW-UHFFFAOYSA-N 2 2 346.435 1.724 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000352250859 162072582 /nfs/dbraw/zinc/07/25/82/162072582.db2.gz LSSHKGGBXSRPHR-OAHLLOKOSA-N 2 2 335.448 1.519 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000352322005 162115907 /nfs/dbraw/zinc/11/59/07/162115907.db2.gz GBOYHCGEIJUDRR-UHFFFAOYSA-N 2 2 332.452 1.103 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352512699 162222023 /nfs/dbraw/zinc/22/20/23/162222023.db2.gz ZLPCNXHXVFPRFE-AWEZNQCLSA-N 2 2 326.462 1.672 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352512699 162222025 /nfs/dbraw/zinc/22/20/25/162222025.db2.gz ZLPCNXHXVFPRFE-AWEZNQCLSA-N 2 2 326.462 1.672 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352512225 162222195 /nfs/dbraw/zinc/22/21/95/162222195.db2.gz WRRRRFPJXNFVBK-YJBOKZPZSA-N 2 2 348.466 1.152 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534449 162237531 /nfs/dbraw/zinc/23/75/31/162237531.db2.gz GRIUEVNRTQUEPX-GOSISDBHSA-N 2 2 333.480 1.141 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534449 162237532 /nfs/dbraw/zinc/23/75/32/162237532.db2.gz GRIUEVNRTQUEPX-GOSISDBHSA-N 2 2 333.480 1.141 20 0 EDADLP CC(C)N(C)c1cnn([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)c(=O)c1 ZINC000365176665 162353394 /nfs/dbraw/zinc/35/33/94/162353394.db2.gz IDVDEAANIXPUCY-MRXNPFEDSA-N 2 2 344.463 1.622 20 0 EDADLP CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)c(=O)c1 ZINC000365176665 162353396 /nfs/dbraw/zinc/35/33/96/162353396.db2.gz IDVDEAANIXPUCY-MRXNPFEDSA-N 2 2 344.463 1.622 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000365666362 162362511 /nfs/dbraw/zinc/36/25/11/162362511.db2.gz QIOFPMMSSLRSKM-AWEZNQCLSA-N 2 2 345.447 1.464 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000365666362 162362512 /nfs/dbraw/zinc/36/25/12/162362512.db2.gz QIOFPMMSSLRSKM-AWEZNQCLSA-N 2 2 345.447 1.464 20 0 EDADLP COc1ccncc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366314986 162375965 /nfs/dbraw/zinc/37/59/65/162375965.db2.gz RNHINFDFADFBAK-OAHLLOKOSA-N 3 2 347.463 1.058 20 0 EDADLP COc1ccncc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366314986 162375971 /nfs/dbraw/zinc/37/59/71/162375971.db2.gz RNHINFDFADFBAK-OAHLLOKOSA-N 3 2 347.463 1.058 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366314986 162375972 /nfs/dbraw/zinc/37/59/72/162375972.db2.gz RNHINFDFADFBAK-OAHLLOKOSA-N 3 2 347.463 1.058 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366314986 162375976 /nfs/dbraw/zinc/37/59/76/162375976.db2.gz RNHINFDFADFBAK-OAHLLOKOSA-N 3 2 347.463 1.058 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861204 287279398 /nfs/dbraw/zinc/27/93/98/287279398.db2.gz RBLFZAIQXDCGRO-GJZGRUSLSA-N 2 2 326.485 1.663 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861204 287279399 /nfs/dbraw/zinc/27/93/99/287279399.db2.gz RBLFZAIQXDCGRO-GJZGRUSLSA-N 2 2 326.485 1.663 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861204 287279400 /nfs/dbraw/zinc/27/94/00/287279400.db2.gz RBLFZAIQXDCGRO-GJZGRUSLSA-N 2 2 326.485 1.663 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861204 287279402 /nfs/dbraw/zinc/27/94/02/287279402.db2.gz RBLFZAIQXDCGRO-GJZGRUSLSA-N 2 2 326.485 1.663 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000080674362 287308535 /nfs/dbraw/zinc/30/85/35/287308535.db2.gz XRDZEABPPNDBCI-IRXDYDNUSA-N 2 2 342.528 1.904 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000165132369 226111766 /nfs/dbraw/zinc/11/17/66/226111766.db2.gz KWWUKVQEZDDQBL-HLLBOEOZSA-N 2 2 347.459 1.613 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000165132369 226111770 /nfs/dbraw/zinc/11/17/70/226111770.db2.gz KWWUKVQEZDDQBL-HLLBOEOZSA-N 2 2 347.459 1.613 20 0 EDADLP CC(C)[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000127772092 287444311 /nfs/dbraw/zinc/44/43/11/287444311.db2.gz KCXYVZYKZMPPFQ-HNNXBMFYSA-N 2 2 339.505 1.757 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123323875 222256957 /nfs/dbraw/zinc/25/69/57/222256957.db2.gz YZPZRJLGIKSGMA-XJKSGUPXSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123323875 222256958 /nfs/dbraw/zinc/25/69/58/222256958.db2.gz YZPZRJLGIKSGMA-XJKSGUPXSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123323875 222256962 /nfs/dbraw/zinc/25/69/62/222256962.db2.gz YZPZRJLGIKSGMA-XJKSGUPXSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123323875 222256964 /nfs/dbraw/zinc/25/69/64/222256964.db2.gz YZPZRJLGIKSGMA-XJKSGUPXSA-N 2 2 333.432 1.826 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000123593237 222302365 /nfs/dbraw/zinc/30/23/65/222302365.db2.gz GGXWPLIMQXWFES-UKRRQHHQSA-N 2 2 333.432 1.446 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000123593237 222302368 /nfs/dbraw/zinc/30/23/68/222302368.db2.gz GGXWPLIMQXWFES-UKRRQHHQSA-N 2 2 333.432 1.446 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123593237 222302370 /nfs/dbraw/zinc/30/23/70/222302370.db2.gz GGXWPLIMQXWFES-UKRRQHHQSA-N 2 2 333.432 1.446 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123593237 222302374 /nfs/dbraw/zinc/30/23/74/222302374.db2.gz GGXWPLIMQXWFES-UKRRQHHQSA-N 2 2 333.432 1.446 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)c1 ZINC000418483336 304501418 /nfs/dbraw/zinc/50/14/18/304501418.db2.gz BWKLJISYJQLENJ-KDOFPFPSSA-N 2 2 346.475 1.821 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268079215 273021560 /nfs/dbraw/zinc/02/15/60/273021560.db2.gz USCMYABHOJDCLQ-CQSZACIVSA-N 2 2 336.436 1.110 20 0 EDADLP C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000274915312 268237617 /nfs/dbraw/zinc/23/76/17/268237617.db2.gz VVZQSEFWAZMARE-OAHLLOKOSA-N 2 2 332.448 1.592 20 0 EDADLP C[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000274915312 268237619 /nfs/dbraw/zinc/23/76/19/268237619.db2.gz VVZQSEFWAZMARE-OAHLLOKOSA-N 2 2 332.448 1.592 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275305715 268319105 /nfs/dbraw/zinc/31/91/05/268319105.db2.gz HJWVWCSOVITZRH-CQSZACIVSA-N 2 2 338.415 1.635 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000275890335 268382095 /nfs/dbraw/zinc/38/20/95/268382095.db2.gz HRCRTWABASNCDA-KRWDZBQOSA-N 2 2 327.432 1.649 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000275890335 268382096 /nfs/dbraw/zinc/38/20/96/268382096.db2.gz HRCRTWABASNCDA-KRWDZBQOSA-N 2 2 327.432 1.649 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](CCO)C(C)C)CC2)c1 ZINC000274120980 273070724 /nfs/dbraw/zinc/07/07/24/273070724.db2.gz WZSVXLYLLHFXIB-LJQANCHMSA-N 2 2 347.503 1.636 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000278487130 273264135 /nfs/dbraw/zinc/26/41/35/273264135.db2.gz LQAHASSSARLHIV-CYBMUJFWSA-N 2 2 334.445 1.833 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000278487130 273264137 /nfs/dbraw/zinc/26/41/37/273264137.db2.gz LQAHASSSARLHIV-CYBMUJFWSA-N 2 2 334.445 1.833 20 0 EDADLP CS(=O)(=O)C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000279732558 273321086 /nfs/dbraw/zinc/32/10/86/273321086.db2.gz WEELNWWXWJOZSP-UHFFFAOYSA-N 2 2 336.501 1.860 20 0 EDADLP CC1CC[NH+](CCNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000283975121 274033646 /nfs/dbraw/zinc/03/36/46/274033646.db2.gz IPWZWQPXPFVOBY-HNNXBMFYSA-N 2 2 347.463 1.311 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000284273780 274142407 /nfs/dbraw/zinc/14/24/07/274142407.db2.gz MXRAMBDIAVMDBT-QXAKKESOSA-N 2 2 344.503 1.574 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000284724540 274308753 /nfs/dbraw/zinc/30/87/53/274308753.db2.gz BXMGGAWODYEETG-AWEZNQCLSA-N 2 2 343.431 1.617 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246421779 276234343 /nfs/dbraw/zinc/23/43/43/276234343.db2.gz VPZKVUWDKINCJR-XHSDSOJGSA-N 2 2 329.510 1.217 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246421779 276234344 /nfs/dbraw/zinc/23/43/44/276234344.db2.gz VPZKVUWDKINCJR-XHSDSOJGSA-N 2 2 329.510 1.217 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246421779 276234345 /nfs/dbraw/zinc/23/43/45/276234345.db2.gz VPZKVUWDKINCJR-XHSDSOJGSA-N 2 2 329.510 1.217 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246421779 276234346 /nfs/dbraw/zinc/23/43/46/276234346.db2.gz VPZKVUWDKINCJR-XHSDSOJGSA-N 2 2 329.510 1.217 20 0 EDADLP CCCN(CC[NH+]1CCCC1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000286457498 288011008 /nfs/dbraw/zinc/01/10/08/288011008.db2.gz UQXNIZIEAZGNJV-UHFFFAOYSA-N 2 2 346.479 1.067 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369258526 278210378 /nfs/dbraw/zinc/21/03/78/278210378.db2.gz WKXQIBMRBIOYMM-VVLHAWIVSA-N 3 2 336.524 1.532 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369258526 278210379 /nfs/dbraw/zinc/21/03/79/278210379.db2.gz WKXQIBMRBIOYMM-VVLHAWIVSA-N 3 2 336.524 1.532 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258526 278210380 /nfs/dbraw/zinc/21/03/80/278210380.db2.gz WKXQIBMRBIOYMM-VVLHAWIVSA-N 3 2 336.524 1.532 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258526 278210381 /nfs/dbraw/zinc/21/03/81/278210381.db2.gz WKXQIBMRBIOYMM-VVLHAWIVSA-N 3 2 336.524 1.532 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193627063 278213404 /nfs/dbraw/zinc/21/34/04/278213404.db2.gz LVRLWEHWZRBKJP-MPTYRVRUSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193627063 278213405 /nfs/dbraw/zinc/21/34/05/278213405.db2.gz LVRLWEHWZRBKJP-MPTYRVRUSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193627063 278213407 /nfs/dbraw/zinc/21/34/07/278213407.db2.gz LVRLWEHWZRBKJP-MPTYRVRUSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193627063 278213409 /nfs/dbraw/zinc/21/34/09/278213409.db2.gz LVRLWEHWZRBKJP-MPTYRVRUSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000333298297 278238509 /nfs/dbraw/zinc/23/85/09/278238509.db2.gz IPZQBMJFAHGZPJ-QAETUUGQSA-N 2 2 338.496 1.127 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121225660 278264908 /nfs/dbraw/zinc/26/49/08/278264908.db2.gz QECODZZMRGQPHP-PKOBYXMFSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121225660 278264909 /nfs/dbraw/zinc/26/49/09/278264909.db2.gz QECODZZMRGQPHP-PKOBYXMFSA-N 2 2 345.487 1.878 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)cc(C)nc3OC)C2)CC1 ZINC000286716658 288069209 /nfs/dbraw/zinc/06/92/09/288069209.db2.gz CZMVUVZAPOAAAW-QGZVFWFLSA-N 2 2 332.492 1.919 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)cc(C)nc3OC)C2)CC1 ZINC000286716658 288069211 /nfs/dbraw/zinc/06/92/11/288069211.db2.gz CZMVUVZAPOAAAW-QGZVFWFLSA-N 2 2 332.492 1.919 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H](C)O1 ZINC000370605531 288067034 /nfs/dbraw/zinc/06/70/34/288067034.db2.gz AEFULRCSSXNIHQ-MCIONIFRSA-N 2 2 334.464 1.834 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000270323825 279129981 /nfs/dbraw/zinc/12/99/81/279129981.db2.gz KOUARQPJEUWNEN-CQSZACIVSA-N 2 2 343.431 1.784 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCCC(=O)NC(N)=O ZINC000270323825 279129982 /nfs/dbraw/zinc/12/99/82/279129982.db2.gz KOUARQPJEUWNEN-CQSZACIVSA-N 2 2 343.431 1.784 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000286864503 288108018 /nfs/dbraw/zinc/10/80/18/288108018.db2.gz BMJUBWNHYXUDTR-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000286864503 288108022 /nfs/dbraw/zinc/10/80/22/288108022.db2.gz BMJUBWNHYXUDTR-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1 ZINC000360125958 279362167 /nfs/dbraw/zinc/36/21/67/279362167.db2.gz RDFQQHCQYFEBJS-NVXWUHKLSA-N 2 2 340.512 1.467 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1 ZINC000360125958 279362169 /nfs/dbraw/zinc/36/21/69/279362169.db2.gz RDFQQHCQYFEBJS-NVXWUHKLSA-N 2 2 340.512 1.467 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000360125958 279362172 /nfs/dbraw/zinc/36/21/72/279362172.db2.gz RDFQQHCQYFEBJS-NVXWUHKLSA-N 2 2 340.512 1.467 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000360125958 279362174 /nfs/dbraw/zinc/36/21/74/279362174.db2.gz RDFQQHCQYFEBJS-NVXWUHKLSA-N 2 2 340.512 1.467 20 0 EDADLP CC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000093050474 288178679 /nfs/dbraw/zinc/17/86/79/288178679.db2.gz HKHFRCATSQVPPT-KRWDZBQOSA-N 2 2 330.476 1.539 20 0 EDADLP CC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000093050474 288178681 /nfs/dbraw/zinc/17/86/81/288178681.db2.gz HKHFRCATSQVPPT-KRWDZBQOSA-N 2 2 330.476 1.539 20 0 EDADLP C[C@H]1SCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000121102379 280089404 /nfs/dbraw/zinc/08/94/04/280089404.db2.gz VLHJTHRXQZLMGI-QAPCUYQASA-N 2 2 333.501 1.939 20 0 EDADLP C[C@H]1SCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000121102379 280089407 /nfs/dbraw/zinc/08/94/07/280089407.db2.gz VLHJTHRXQZLMGI-QAPCUYQASA-N 2 2 333.501 1.939 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@]1([NH+](C)C)CCCSC1)[NH+]1CCOCC1 ZINC000372255473 280251086 /nfs/dbraw/zinc/25/10/86/280251086.db2.gz MMFCMXGFTABXPF-DOTOQJQBSA-N 2 2 343.537 1.287 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@@H+]1C[C@@H](C)O ZINC000377303935 280356956 /nfs/dbraw/zinc/35/69/56/280356956.db2.gz KUZIHHYAVADHME-HUUCEWRRSA-N 2 2 349.479 1.206 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@H+]1C[C@@H](C)O ZINC000377303935 280356958 /nfs/dbraw/zinc/35/69/58/280356958.db2.gz KUZIHHYAVADHME-HUUCEWRRSA-N 2 2 349.479 1.206 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)C[C@H]1[NH+]1CCOCC1 ZINC000370000538 280377964 /nfs/dbraw/zinc/37/79/64/280377964.db2.gz YPRGWUKMYSJDDZ-OWCLPIDISA-N 2 2 332.448 1.330 20 0 EDADLP C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287633663 288280643 /nfs/dbraw/zinc/28/06/43/288280643.db2.gz ABPDBZYGORAQKW-RDJZCZTQSA-N 2 2 333.476 1.905 20 0 EDADLP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000343522408 281430211 /nfs/dbraw/zinc/43/02/11/281430211.db2.gz NAUQLCLNOIXDAM-JKSUJKDBSA-N 2 2 337.414 1.967 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419943304 281653258 /nfs/dbraw/zinc/65/32/58/281653258.db2.gz IKTIZWZQBAHIRU-LSDHHAIUSA-N 2 2 347.463 1.215 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289219903 288652855 /nfs/dbraw/zinc/65/28/55/288652855.db2.gz LDRJTJITBIZEDL-FQEVSTJZSA-N 2 2 343.471 1.735 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000290216751 288859540 /nfs/dbraw/zinc/85/95/40/288859540.db2.gz QMMBDTYMDXWBFN-RDJZCZTQSA-N 2 2 332.448 1.169 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290295997 288874459 /nfs/dbraw/zinc/87/44/59/288874459.db2.gz DQPUOXXZOSQONX-OAHLLOKOSA-N 2 2 325.416 1.729 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733019 289164722 /nfs/dbraw/zinc/16/47/22/289164722.db2.gz JRDGQKPGZIQKRY-WOJBJXKFSA-N 2 2 332.488 1.759 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733019 289164725 /nfs/dbraw/zinc/16/47/25/289164725.db2.gz JRDGQKPGZIQKRY-WOJBJXKFSA-N 2 2 332.488 1.759 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733019 289164727 /nfs/dbraw/zinc/16/47/27/289164727.db2.gz JRDGQKPGZIQKRY-WOJBJXKFSA-N 2 2 332.488 1.759 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733019 289164731 /nfs/dbraw/zinc/16/47/31/289164731.db2.gz JRDGQKPGZIQKRY-WOJBJXKFSA-N 2 2 332.488 1.759 20 0 EDADLP C[C@H](CNc1[nH+]cnc2c1c(Br)nn2C)C[NH+](C)C ZINC000291900809 289210000 /nfs/dbraw/zinc/21/00/00/289210000.db2.gz PXQWGHODIUIYSL-MRVPVSSYSA-N 2 2 327.230 1.735 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292166391 289279326 /nfs/dbraw/zinc/27/93/26/289279326.db2.gz PDZKAFKSYRVVJM-SGTLLEGYSA-N 2 2 343.431 1.211 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292166391 289279327 /nfs/dbraw/zinc/27/93/27/289279327.db2.gz PDZKAFKSYRVVJM-SGTLLEGYSA-N 2 2 343.431 1.211 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292166391 289279329 /nfs/dbraw/zinc/27/93/29/289279329.db2.gz PDZKAFKSYRVVJM-SGTLLEGYSA-N 2 2 343.431 1.211 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292166391 289279334 /nfs/dbraw/zinc/27/93/34/289279334.db2.gz PDZKAFKSYRVVJM-SGTLLEGYSA-N 2 2 343.431 1.211 20 0 EDADLP CC[C@@H]1CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000292430583 289345704 /nfs/dbraw/zinc/34/57/04/289345704.db2.gz NOBAQMSQOIULKP-QGZVFWFLSA-N 2 2 331.460 1.824 20 0 EDADLP CC[C@@H]1CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000292430583 289345705 /nfs/dbraw/zinc/34/57/05/289345705.db2.gz NOBAQMSQOIULKP-QGZVFWFLSA-N 2 2 331.460 1.824 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000338149926 289350769 /nfs/dbraw/zinc/35/07/69/289350769.db2.gz LSJCYZVCSNKEKL-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292821922 289445962 /nfs/dbraw/zinc/44/59/62/289445962.db2.gz AYWKFKQOSBFFQG-AEFFLSMTSA-N 2 2 329.444 1.343 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351626095 289616237 /nfs/dbraw/zinc/61/62/37/289616237.db2.gz DSNZQDNNFLAMPK-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000246061304 290172927 /nfs/dbraw/zinc/17/29/27/290172927.db2.gz ZDQKGVIOVSCYTR-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000246061304 290172929 /nfs/dbraw/zinc/17/29/29/290172929.db2.gz ZDQKGVIOVSCYTR-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000246061304 290172930 /nfs/dbraw/zinc/17/29/30/290172930.db2.gz ZDQKGVIOVSCYTR-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000246061304 290172931 /nfs/dbraw/zinc/17/29/31/290172931.db2.gz ZDQKGVIOVSCYTR-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1n[nH]c(C)c1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371628450 293092960 /nfs/dbraw/zinc/09/29/60/293092960.db2.gz QXZQPIMMJYKJJZ-INIZCTEOSA-N 2 2 333.480 1.196 20 0 EDADLP Cc1n[nH]c(C)c1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371628450 293092963 /nfs/dbraw/zinc/09/29/63/293092963.db2.gz QXZQPIMMJYKJJZ-INIZCTEOSA-N 2 2 333.480 1.196 20 0 EDADLP C[C@H](NC(=O)N(C)CC[NH+]1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000650850651 453052364 /nfs/dbraw/zinc/05/23/64/453052364.db2.gz UNGNSLDEJKOCLG-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418654472 304526155 /nfs/dbraw/zinc/52/61/55/304526155.db2.gz BWVSVIQYJHDEEV-WMZOPIPTSA-N 2 2 348.491 1.829 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328798376 298027938 /nfs/dbraw/zinc/02/79/38/298027938.db2.gz WRLHLHQZNBSWFJ-RKVPGOIHSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328798376 298027940 /nfs/dbraw/zinc/02/79/40/298027940.db2.gz WRLHLHQZNBSWFJ-RKVPGOIHSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000328798376 298027943 /nfs/dbraw/zinc/02/79/43/298027943.db2.gz WRLHLHQZNBSWFJ-RKVPGOIHSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328798376 298027945 /nfs/dbraw/zinc/02/79/45/298027945.db2.gz WRLHLHQZNBSWFJ-RKVPGOIHSA-N 2 2 336.480 1.566 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H](O)C(C)C)CC2)CC1 ZINC000422023477 447313036 /nfs/dbraw/zinc/31/30/36/447313036.db2.gz PLIHQSKBIKUVNW-QGZVFWFLSA-N 2 2 325.497 1.412 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H](O)C(C)C)CC2)CC1 ZINC000422023477 447313038 /nfs/dbraw/zinc/31/30/38/447313038.db2.gz PLIHQSKBIKUVNW-QGZVFWFLSA-N 2 2 325.497 1.412 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000422029034 447315680 /nfs/dbraw/zinc/31/56/80/447315680.db2.gz ZAWJBHHDBCNNNC-GOSISDBHSA-N 3 2 338.540 1.591 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000422029034 447315689 /nfs/dbraw/zinc/31/56/89/447315689.db2.gz ZAWJBHHDBCNNNC-GOSISDBHSA-N 3 2 338.540 1.591 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)[nH+]1 ZINC000374902166 302005013 /nfs/dbraw/zinc/00/50/13/302005013.db2.gz LZVJIIZAEQJHJT-QGZVFWFLSA-N 3 2 345.491 1.430 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)[nH+]1 ZINC000374902166 302005017 /nfs/dbraw/zinc/00/50/17/302005017.db2.gz LZVJIIZAEQJHJT-QGZVFWFLSA-N 3 2 345.491 1.430 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)CC(C)C ZINC000414683481 447318241 /nfs/dbraw/zinc/31/82/41/447318241.db2.gz TZIXYBPPRJORHM-CQSZACIVSA-N 2 2 335.452 1.475 20 0 EDADLP C[C@@H](O)CNc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000294256901 303083852 /nfs/dbraw/zinc/08/38/52/303083852.db2.gz FEAYOEFSLNSONR-GDBMZVCRSA-N 2 2 327.432 1.956 20 0 EDADLP OC1CCN(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000294756214 303143602 /nfs/dbraw/zinc/14/36/02/303143602.db2.gz DPSSUSARUAZHIP-UHFFFAOYSA-N 2 2 331.504 1.740 20 0 EDADLP OC1CC[NH+](CCNC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000294756214 303143604 /nfs/dbraw/zinc/14/36/04/303143604.db2.gz DPSSUSARUAZHIP-UHFFFAOYSA-N 2 2 331.504 1.740 20 0 EDADLP CO[C@H](Cc1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000294860509 303150804 /nfs/dbraw/zinc/15/08/04/303150804.db2.gz AOVXATLRBGAAHN-LJQANCHMSA-N 2 2 347.503 1.729 20 0 EDADLP CO[C@H](Cc1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000294860509 303150805 /nfs/dbraw/zinc/15/08/05/303150805.db2.gz AOVXATLRBGAAHN-LJQANCHMSA-N 2 2 347.503 1.729 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC000295996368 303288251 /nfs/dbraw/zinc/28/82/51/303288251.db2.gz PJOUNVJHHHBVBG-CABCVRRESA-N 2 2 332.448 1.517 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@H]2CCNC(=O)CC2)C1 ZINC000295996368 303288252 /nfs/dbraw/zinc/28/82/52/303288252.db2.gz PJOUNVJHHHBVBG-CABCVRRESA-N 2 2 332.448 1.517 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000298645884 303541759 /nfs/dbraw/zinc/54/17/59/303541759.db2.gz AZMQVABKLHPPHB-KRWDZBQOSA-N 2 2 345.491 1.154 20 0 EDADLP COc1cccc(NC(=O)CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000362503612 303832441 /nfs/dbraw/zinc/83/24/41/303832441.db2.gz YPPCUDTUATVOCZ-UHFFFAOYSA-N 2 2 343.431 1.565 20 0 EDADLP Cc1ccc(CC[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1 ZINC000377764617 447343312 /nfs/dbraw/zinc/34/33/12/447343312.db2.gz VEFOYJRLNHUTLX-QUCCMNQESA-N 2 2 331.504 1.874 20 0 EDADLP Cc1ccc(CC[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1 ZINC000377764617 447343320 /nfs/dbraw/zinc/34/33/20/447343320.db2.gz VEFOYJRLNHUTLX-QUCCMNQESA-N 2 2 331.504 1.874 20 0 EDADLP Cc1ccc(CC[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000377764617 447343330 /nfs/dbraw/zinc/34/33/30/447343330.db2.gz VEFOYJRLNHUTLX-QUCCMNQESA-N 2 2 331.504 1.874 20 0 EDADLP C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000493574303 447344997 /nfs/dbraw/zinc/34/49/97/447344997.db2.gz RZVMSPBOGZGJMY-AEFFLSMTSA-N 2 2 335.448 1.065 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)c1 ZINC000423440740 304896351 /nfs/dbraw/zinc/89/63/51/304896351.db2.gz VXMUVKLDFQAOBL-XJKSGUPXSA-N 2 2 341.477 1.014 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423573191 304899076 /nfs/dbraw/zinc/89/90/76/304899076.db2.gz ZDUPRACNKIHULC-HIFRSBDPSA-N 2 2 325.478 1.730 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423754956 304908685 /nfs/dbraw/zinc/90/86/85/304908685.db2.gz ZVZJJZMHJHOAPT-STQMWFEESA-N 2 2 349.866 1.615 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423917371 304916043 /nfs/dbraw/zinc/91/60/43/304916043.db2.gz NXSGSLXHTRAUDZ-KKUMJFAQSA-N 2 2 339.459 1.308 20 0 EDADLP Cc1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1S(C)(=O)=O ZINC000425336452 304961517 /nfs/dbraw/zinc/96/15/17/304961517.db2.gz KZJAEXQWQWYECU-UHFFFAOYSA-N 2 2 336.461 1.488 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428034330 305004646 /nfs/dbraw/zinc/00/46/46/305004646.db2.gz NZGNKAGRFNZGCN-PBFPGSCMSA-N 2 2 337.414 1.696 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428034330 305004647 /nfs/dbraw/zinc/00/46/47/305004647.db2.gz NZGNKAGRFNZGCN-PBFPGSCMSA-N 2 2 337.414 1.696 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033909 305004740 /nfs/dbraw/zinc/00/47/40/305004740.db2.gz BQTUWAXTTLERBT-QAPCUYQASA-N 2 2 349.450 1.737 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033909 305004741 /nfs/dbraw/zinc/00/47/41/305004741.db2.gz BQTUWAXTTLERBT-QAPCUYQASA-N 2 2 349.450 1.737 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C2CC2)cc1 ZINC000428039369 305005044 /nfs/dbraw/zinc/00/50/44/305005044.db2.gz RMYNVDWVVBSAOR-APWZRJJASA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C2CC2)cc1 ZINC000428039369 305005045 /nfs/dbraw/zinc/00/50/45/305005045.db2.gz RMYNVDWVVBSAOR-APWZRJJASA-N 2 2 343.471 1.870 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000428996558 305022010 /nfs/dbraw/zinc/02/20/10/305022010.db2.gz RLGFJKGMHYODBV-APWZRJJASA-N 2 2 329.444 1.134 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000428996558 305022011 /nfs/dbraw/zinc/02/20/11/305022011.db2.gz RLGFJKGMHYODBV-APWZRJJASA-N 2 2 329.444 1.134 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000428996558 305022012 /nfs/dbraw/zinc/02/20/12/305022012.db2.gz RLGFJKGMHYODBV-APWZRJJASA-N 2 2 329.444 1.134 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000428996558 305022013 /nfs/dbraw/zinc/02/20/13/305022013.db2.gz RLGFJKGMHYODBV-APWZRJJASA-N 2 2 329.444 1.134 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCCCOc3ccccc3F)C2)C1 ZINC000429021504 305022555 /nfs/dbraw/zinc/02/25/55/305022555.db2.gz QMLDFMYVLVDZNX-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCCCOc3ccccc3F)C2)C1 ZINC000429021504 305022556 /nfs/dbraw/zinc/02/25/56/305022556.db2.gz QMLDFMYVLVDZNX-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCCCOc3ccccc3F)C2)C1 ZINC000429021504 305022557 /nfs/dbraw/zinc/02/25/57/305022557.db2.gz QMLDFMYVLVDZNX-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCCCOc3ccccc3F)C2)C1 ZINC000429021504 305022558 /nfs/dbraw/zinc/02/25/58/305022558.db2.gz QMLDFMYVLVDZNX-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[C@H](CCCO)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000430372233 305051689 /nfs/dbraw/zinc/05/16/89/305051689.db2.gz AXPLKABDVRTTKO-PBHICJAKSA-N 2 2 330.432 1.078 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430538683 305055892 /nfs/dbraw/zinc/05/58/92/305055892.db2.gz CMPLCIIHUZVONL-VNHYZAJKSA-N 2 2 332.448 1.432 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430538683 305055893 /nfs/dbraw/zinc/05/58/93/305055893.db2.gz CMPLCIIHUZVONL-VNHYZAJKSA-N 2 2 332.448 1.432 20 0 EDADLP C[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)CC(C)(C)C[NH3+] ZINC000430546245 305056060 /nfs/dbraw/zinc/05/60/60/305056060.db2.gz RTKOASSMAUZTTI-UHFFFAOYSA-N 2 2 343.418 1.863 20 0 EDADLP C[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)CC(C)(C)C[NH3+] ZINC000430546245 305056061 /nfs/dbraw/zinc/05/60/61/305056061.db2.gz RTKOASSMAUZTTI-UHFFFAOYSA-N 2 2 343.418 1.863 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430572122 305056594 /nfs/dbraw/zinc/05/65/94/305056594.db2.gz PHMBWZLRHMLEJR-XJKSGUPXSA-N 2 2 334.464 1.678 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430572122 305056595 /nfs/dbraw/zinc/05/65/95/305056595.db2.gz PHMBWZLRHMLEJR-XJKSGUPXSA-N 2 2 334.464 1.678 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430599136 305057678 /nfs/dbraw/zinc/05/76/78/305057678.db2.gz VEMWZSSVDQHYDJ-BEFAXECRSA-N 2 2 347.459 1.392 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000430601071 305058014 /nfs/dbraw/zinc/05/80/14/305058014.db2.gz TTXIIHKWXYMPOM-FUHWJXTLSA-N 2 2 337.439 1.689 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430642137 305061022 /nfs/dbraw/zinc/06/10/22/305061022.db2.gz NYNKXWWVROPPNO-IAGOWNOFSA-N 2 2 330.476 1.300 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430642137 305061023 /nfs/dbraw/zinc/06/10/23/305061023.db2.gz NYNKXWWVROPPNO-IAGOWNOFSA-N 2 2 330.476 1.300 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000430659784 305061710 /nfs/dbraw/zinc/06/17/10/305061710.db2.gz BUKGEPVKPIDDIC-ZIAGYGMSSA-N 2 2 335.448 1.962 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000430659784 305061711 /nfs/dbraw/zinc/06/17/11/305061711.db2.gz BUKGEPVKPIDDIC-ZIAGYGMSSA-N 2 2 335.448 1.962 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000430752710 305063946 /nfs/dbraw/zinc/06/39/46/305063946.db2.gz HMBBINUINJQNJC-QAPCUYQASA-N 2 2 349.475 1.558 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000430922678 305068218 /nfs/dbraw/zinc/06/82/18/305068218.db2.gz BXGMJFMWRRGABI-UKRRQHHQSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000430922678 305068219 /nfs/dbraw/zinc/06/82/19/305068219.db2.gz BXGMJFMWRRGABI-UKRRQHHQSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC[C@@H]1[NH3+] ZINC000430934660 305069001 /nfs/dbraw/zinc/06/90/01/305069001.db2.gz QDKVSWVTDKERRM-YPMHNXCESA-N 2 2 348.838 1.528 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC[C@@H]1[NH3+] ZINC000430934660 305069002 /nfs/dbraw/zinc/06/90/02/305069002.db2.gz QDKVSWVTDKERRM-YPMHNXCESA-N 2 2 348.838 1.528 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430942528 305069737 /nfs/dbraw/zinc/06/97/37/305069737.db2.gz CZXSUMOYGDMDPQ-GDBMZVCRSA-N 2 2 349.475 1.592 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC000430942528 305069738 /nfs/dbraw/zinc/06/97/38/305069738.db2.gz CZXSUMOYGDMDPQ-GDBMZVCRSA-N 2 2 349.475 1.592 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000430945574 305069931 /nfs/dbraw/zinc/06/99/31/305069931.db2.gz XQJNJKUMTDQVQT-HOCLYGCPSA-N 2 2 334.439 1.143 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000430945574 305069932 /nfs/dbraw/zinc/06/99/32/305069932.db2.gz XQJNJKUMTDQVQT-HOCLYGCPSA-N 2 2 334.439 1.143 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000430947366 305070004 /nfs/dbraw/zinc/07/00/04/305070004.db2.gz DMRPADPRGZNVQG-FUHWJXTLSA-N 2 2 330.476 1.313 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000430947366 305070005 /nfs/dbraw/zinc/07/00/05/305070005.db2.gz DMRPADPRGZNVQG-FUHWJXTLSA-N 2 2 330.476 1.313 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430948171 305070054 /nfs/dbraw/zinc/07/00/54/305070054.db2.gz HHEWPORHQKBTOL-YJBOKZPZSA-N 2 2 346.475 1.126 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430948171 305070055 /nfs/dbraw/zinc/07/00/55/305070055.db2.gz HHEWPORHQKBTOL-YJBOKZPZSA-N 3 2 346.475 1.126 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430948171 305070056 /nfs/dbraw/zinc/07/00/56/305070056.db2.gz HHEWPORHQKBTOL-YJBOKZPZSA-N 3 2 346.475 1.126 20 0 EDADLP Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)n1 ZINC000431067158 305074265 /nfs/dbraw/zinc/07/42/65/305074265.db2.gz PFUYVXRGUJNJIM-CYBMUJFWSA-N 2 2 333.440 1.384 20 0 EDADLP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)n1 ZINC000431067158 305074266 /nfs/dbraw/zinc/07/42/66/305074266.db2.gz PFUYVXRGUJNJIM-CYBMUJFWSA-N 2 2 333.440 1.384 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000432123399 305087719 /nfs/dbraw/zinc/08/77/19/305087719.db2.gz BRMDKXPNJAUIEK-HNNXBMFYSA-N 2 2 336.436 1.246 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000432123399 305087720 /nfs/dbraw/zinc/08/77/20/305087720.db2.gz BRMDKXPNJAUIEK-HNNXBMFYSA-N 2 2 336.436 1.246 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000432862615 305096543 /nfs/dbraw/zinc/09/65/43/305096543.db2.gz ZTAZSTINCLXZRT-BZUAXINKSA-N 2 2 346.479 1.425 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000432862615 305096544 /nfs/dbraw/zinc/09/65/44/305096544.db2.gz ZTAZSTINCLXZRT-BZUAXINKSA-N 2 2 346.479 1.425 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)C2 ZINC000433146813 305101671 /nfs/dbraw/zinc/10/16/71/305101671.db2.gz MNCRXCBCSNKEND-UHFFFAOYSA-N 3 2 347.507 1.632 20 0 EDADLP Cc1cn2cc(NC(=O)c3ncn([C@H]4CCC[NH2+]C4)n3)ccc2[nH+]1 ZINC000433380053 305106966 /nfs/dbraw/zinc/10/69/66/305106966.db2.gz YHVAASQBYWYHFX-ZDUSSCGKSA-N 2 2 325.376 1.411 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000434503879 305123662 /nfs/dbraw/zinc/12/36/62/305123662.db2.gz JOSLMUQNSKOGGL-KBPBESRZSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000434503879 305123663 /nfs/dbraw/zinc/12/36/63/305123663.db2.gz JOSLMUQNSKOGGL-KBPBESRZSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000434503879 305123664 /nfs/dbraw/zinc/12/36/64/305123664.db2.gz JOSLMUQNSKOGGL-KBPBESRZSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000434503879 305123665 /nfs/dbraw/zinc/12/36/65/305123665.db2.gz JOSLMUQNSKOGGL-KBPBESRZSA-N 2 2 336.505 1.872 20 0 EDADLP C[C@H]([NH3+])CCC(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000434674636 305127115 /nfs/dbraw/zinc/12/71/15/305127115.db2.gz ILNAJSCULJLJHN-ZDUSSCGKSA-N 2 2 345.447 1.504 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000435390283 305139819 /nfs/dbraw/zinc/13/98/19/305139819.db2.gz ATOQVAZSQUVDTC-ZBFHGGJFSA-N 2 2 349.475 1.912 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000435390283 305139820 /nfs/dbraw/zinc/13/98/20/305139820.db2.gz ATOQVAZSQUVDTC-ZBFHGGJFSA-N 2 2 349.475 1.912 20 0 EDADLP COCCCCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435566190 305142600 /nfs/dbraw/zinc/14/26/00/305142600.db2.gz AAHHJRPSRRIUSS-OAHLLOKOSA-N 2 2 334.464 1.708 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC[C@@H]1CCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435567791 305142650 /nfs/dbraw/zinc/14/26/50/305142650.db2.gz RHVZYZDAVRUYCG-CVEARBPZSA-N 2 2 346.475 1.708 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)Cc1cc[nH]n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435572245 305142820 /nfs/dbraw/zinc/14/28/20/305142820.db2.gz DCCXQZQRCMLXGS-OAHLLOKOSA-N 2 2 342.447 1.340 20 0 EDADLP CC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435614366 305143410 /nfs/dbraw/zinc/14/34/10/305143410.db2.gz MLBZIQRIIPCLEF-KRWDZBQOSA-N 2 2 346.475 1.791 20 0 EDADLP CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435614366 305143411 /nfs/dbraw/zinc/14/34/11/305143411.db2.gz MLBZIQRIIPCLEF-KRWDZBQOSA-N 2 2 346.475 1.791 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000435629518 305144155 /nfs/dbraw/zinc/14/41/55/305144155.db2.gz XXXWGSCMJSHLBR-SFHVURJKSA-N 2 2 344.503 1.718 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+](C)[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000435629518 305144156 /nfs/dbraw/zinc/14/41/56/305144156.db2.gz XXXWGSCMJSHLBR-SFHVURJKSA-N 2 2 344.503 1.718 20 0 EDADLP Cn1cc[nH+]c1CN(CC(=O)NC(C)(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435684143 305145282 /nfs/dbraw/zinc/14/52/82/305145282.db2.gz RXUCSANMEFQIKK-CQSZACIVSA-N 2 2 333.480 1.279 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C ZINC000436061077 305151836 /nfs/dbraw/zinc/15/18/36/305151836.db2.gz OWGVMALKHYZACN-QGZVFWFLSA-N 2 2 346.475 1.561 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C ZINC000436061077 305151837 /nfs/dbraw/zinc/15/18/37/305151837.db2.gz OWGVMALKHYZACN-QGZVFWFLSA-N 2 2 346.475 1.561 20 0 EDADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000438889031 305190606 /nfs/dbraw/zinc/19/06/06/305190606.db2.gz YCCLASBCJQTXOJ-AWEZNQCLSA-N 2 2 329.404 1.491 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H]1CO ZINC000442890229 305230539 /nfs/dbraw/zinc/23/05/39/305230539.db2.gz NWGDXBPAYSRCOU-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H]1CO ZINC000442890229 305230540 /nfs/dbraw/zinc/23/05/40/305230540.db2.gz NWGDXBPAYSRCOU-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000447525938 305281478 /nfs/dbraw/zinc/28/14/78/305281478.db2.gz AHQDRGUWPICGDU-RDJZCZTQSA-N 2 2 328.464 1.510 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447564139 305282288 /nfs/dbraw/zinc/28/22/88/305282288.db2.gz VHUPEZIPNZLZHR-HOCLYGCPSA-N 2 2 342.447 1.071 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447564139 305282289 /nfs/dbraw/zinc/28/22/89/305282289.db2.gz VHUPEZIPNZLZHR-HOCLYGCPSA-N 2 2 342.447 1.071 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CCOC4(CCC4)C3)CC2)nc1 ZINC000449079643 305305902 /nfs/dbraw/zinc/30/59/02/305305902.db2.gz ZQDPNKKMTVVSKS-KRWDZBQOSA-N 2 2 345.491 1.680 20 0 EDADLP COC(=O)Cn1cc(C[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)nn1 ZINC000449111913 305306989 /nfs/dbraw/zinc/30/69/89/305306989.db2.gz AUEZYHAMXAWZRC-GFCCVEGCSA-N 2 2 346.435 1.050 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000449143799 305307891 /nfs/dbraw/zinc/30/78/91/305307891.db2.gz RIEQFOVOHDJBRM-KBPBESRZSA-N 2 2 327.469 1.106 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H](C)[NH2+]C3CC3)cc2)CC1 ZINC000449176126 305308860 /nfs/dbraw/zinc/30/88/60/305308860.db2.gz SBYPFJOTXOPJGV-CQSZACIVSA-N 2 2 344.459 1.430 20 0 EDADLP CO[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000451549172 305352749 /nfs/dbraw/zinc/35/27/49/305352749.db2.gz SNIAVVXYGPUWDW-DLBZAZTESA-N 2 2 346.475 1.477 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000451549172 305352750 /nfs/dbraw/zinc/35/27/50/305352750.db2.gz SNIAVVXYGPUWDW-DLBZAZTESA-N 2 2 346.475 1.477 20 0 EDADLP C[C@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)CC[N@@H+](C2CC2)C1 ZINC000452170199 305385586 /nfs/dbraw/zinc/38/55/86/305385586.db2.gz HTJQSMHINRCBSO-CYBMUJFWSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)CC[N@H+](C2CC2)C1 ZINC000452170199 305385587 /nfs/dbraw/zinc/38/55/87/305385587.db2.gz HTJQSMHINRCBSO-CYBMUJFWSA-N 2 2 329.435 1.906 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452392640 305397584 /nfs/dbraw/zinc/39/75/84/305397584.db2.gz RFAHCEVUZPMXQY-OAHLLOKOSA-N 2 2 330.432 1.308 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452392640 305397585 /nfs/dbraw/zinc/39/75/85/305397585.db2.gz RFAHCEVUZPMXQY-OAHLLOKOSA-N 2 2 330.432 1.308 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCCCn3cc[nH+]c3)C2)CC1 ZINC000521239713 305787060 /nfs/dbraw/zinc/78/70/60/305787060.db2.gz VSKLQWBBBYNBPJ-KRWDZBQOSA-N 2 2 348.495 1.085 20 0 EDADLP CC1CC[NH+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000523704070 305812248 /nfs/dbraw/zinc/81/22/48/305812248.db2.gz FUAUDFIIWQVVDL-UHFFFAOYSA-N 2 2 328.420 1.514 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+]2CC(C)C)CCO1 ZINC000425948914 447365566 /nfs/dbraw/zinc/36/55/66/447365566.db2.gz FQXRGUYHEZNFRB-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+]2CC(C)C)CCO1 ZINC000425948914 447365586 /nfs/dbraw/zinc/36/55/86/447365586.db2.gz FQXRGUYHEZNFRB-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCO1 ZINC000425948914 447365592 /nfs/dbraw/zinc/36/55/92/447365592.db2.gz FQXRGUYHEZNFRB-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CCO1 ZINC000425948914 447365599 /nfs/dbraw/zinc/36/55/99/447365599.db2.gz FQXRGUYHEZNFRB-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP Cn1cc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)nn1 ZINC000540807633 306040495 /nfs/dbraw/zinc/04/04/95/306040495.db2.gz FWWKYTIEERODLU-UHFFFAOYSA-N 2 2 341.419 1.178 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000543106175 306060765 /nfs/dbraw/zinc/06/07/65/306060765.db2.gz MFPMABMJRMPDRA-HZPDHXFCSA-N 2 2 331.464 1.704 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000543106175 306060766 /nfs/dbraw/zinc/06/07/66/306060766.db2.gz MFPMABMJRMPDRA-HZPDHXFCSA-N 2 2 331.464 1.704 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C[N@@H+]1C1CC1 ZINC000551064055 306155653 /nfs/dbraw/zinc/15/56/53/306155653.db2.gz MCUBNTOSAPWBKZ-IAISJRAMSA-N 2 2 349.500 1.926 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C[N@H+]1C1CC1 ZINC000551064055 306155654 /nfs/dbraw/zinc/15/56/54/306155654.db2.gz MCUBNTOSAPWBKZ-IAISJRAMSA-N 2 2 349.500 1.926 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C[NH+]1CCCCC1 ZINC000552710336 306180948 /nfs/dbraw/zinc/18/09/48/306180948.db2.gz PJAZCLPZSNWWTJ-AWEZNQCLSA-N 2 2 343.431 1.511 20 0 EDADLP C[NH2+][C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414966719 447376523 /nfs/dbraw/zinc/37/65/23/447376523.db2.gz DQYXPRGSNAESDZ-STQMWFEESA-N 2 2 332.448 1.950 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000426027172 447380854 /nfs/dbraw/zinc/38/08/54/447380854.db2.gz GKZAUNPNUSCPOC-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000426027172 447380860 /nfs/dbraw/zinc/38/08/60/447380860.db2.gz GKZAUNPNUSCPOC-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1(F)F ZINC000426109032 447389548 /nfs/dbraw/zinc/38/95/48/447389548.db2.gz AYZUCQAAWSQHBT-ZDUSSCGKSA-N 2 2 332.439 1.699 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3cccn3C)CC2)CC1 ZINC000422186436 447393982 /nfs/dbraw/zinc/39/39/82/447393982.db2.gz PPPTWNCZQQLMLX-UHFFFAOYSA-N 2 2 347.507 1.727 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3cccn3C)CC2)CC1 ZINC000422186436 447393986 /nfs/dbraw/zinc/39/39/86/447393986.db2.gz PPPTWNCZQQLMLX-UHFFFAOYSA-N 2 2 347.507 1.727 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(C)c1F ZINC000657090819 453674175 /nfs/dbraw/zinc/67/41/75/453674175.db2.gz HRJZCMWAKRFHCN-UHFFFAOYSA-N 2 2 345.484 1.604 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(C)c1F ZINC000657090819 453674177 /nfs/dbraw/zinc/67/41/77/453674177.db2.gz HRJZCMWAKRFHCN-UHFFFAOYSA-N 2 2 345.484 1.604 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000426250260 447407667 /nfs/dbraw/zinc/40/76/67/447407667.db2.gz SMCFBQNAAAUOIX-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000426250260 447407673 /nfs/dbraw/zinc/40/76/73/447407673.db2.gz SMCFBQNAAAUOIX-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000043783882 440797444 /nfs/dbraw/zinc/79/74/44/440797444.db2.gz HLTKLWMAWSIUPX-UHFFFAOYSA-N 2 2 348.495 1.210 20 0 EDADLP COCCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378496627 447434445 /nfs/dbraw/zinc/43/44/45/447434445.db2.gz QBDHIZODUJUWHJ-NVXWUHKLSA-N 2 2 325.497 1.676 20 0 EDADLP COCCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378496627 447434450 /nfs/dbraw/zinc/43/44/50/447434450.db2.gz QBDHIZODUJUWHJ-NVXWUHKLSA-N 2 2 325.497 1.676 20 0 EDADLP O=C(NCC[NH+]1CCCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045195434 440961192 /nfs/dbraw/zinc/96/11/92/440961192.db2.gz QNTGMKAYVYQHGS-UHFFFAOYSA-N 2 2 331.464 1.836 20 0 EDADLP C[NH+](C)CC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000045944575 441064657 /nfs/dbraw/zinc/06/46/57/441064657.db2.gz CFNGVBPARNRPDY-UHFFFAOYSA-N 2 2 335.839 1.194 20 0 EDADLP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000057559029 441122885 /nfs/dbraw/zinc/12/28/85/441122885.db2.gz ATXICPFSDGWVKY-CQSZACIVSA-N 2 2 349.523 1.625 20 0 EDADLP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000057559029 441122888 /nfs/dbraw/zinc/12/28/88/441122888.db2.gz ATXICPFSDGWVKY-CQSZACIVSA-N 2 2 349.523 1.625 20 0 EDADLP C[C@H]1C[NH+](CC2CC[NH+](CCCS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000103142424 441176862 /nfs/dbraw/zinc/17/68/62/441176862.db2.gz RWWXFGUKEFABJI-GJZGRUSLSA-N 2 2 332.510 1.242 20 0 EDADLP C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@H+](C)C1CC1 ZINC000105104058 441233221 /nfs/dbraw/zinc/23/32/21/441233221.db2.gz AMANBOQLDMAFSY-CQSZACIVSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@@H+](C)C1CC1 ZINC000105104058 441233227 /nfs/dbraw/zinc/23/32/27/441233227.db2.gz AMANBOQLDMAFSY-CQSZACIVSA-N 2 2 331.464 1.964 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(=O)NCc1cccs1 ZINC000080960169 441211962 /nfs/dbraw/zinc/21/19/62/441211962.db2.gz NNLZOWFTCDWEQV-LBPRGKRZSA-N 2 2 347.444 1.677 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(=O)NCc1cccs1 ZINC000080960169 441211966 /nfs/dbraw/zinc/21/19/66/441211966.db2.gz NNLZOWFTCDWEQV-LBPRGKRZSA-N 2 2 347.444 1.677 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCOc1cccc(F)c1 ZINC000080958664 441212834 /nfs/dbraw/zinc/21/28/34/441212834.db2.gz GXZKJVHHOGJPTG-AWEZNQCLSA-N 2 2 346.406 1.923 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCOc1cccc(F)c1 ZINC000080958664 441212837 /nfs/dbraw/zinc/21/28/37/441212837.db2.gz GXZKJVHHOGJPTG-AWEZNQCLSA-N 2 2 346.406 1.923 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000105234092 441244191 /nfs/dbraw/zinc/24/41/91/441244191.db2.gz PKFCIMLLSMZWKB-INIZCTEOSA-N 3 2 341.544 1.384 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000105234092 441244196 /nfs/dbraw/zinc/24/41/96/441244196.db2.gz PKFCIMLLSMZWKB-INIZCTEOSA-N 3 2 341.544 1.384 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105234092 441244199 /nfs/dbraw/zinc/24/41/99/441244199.db2.gz PKFCIMLLSMZWKB-INIZCTEOSA-N 3 2 341.544 1.384 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105234092 441244205 /nfs/dbraw/zinc/24/42/05/441244205.db2.gz PKFCIMLLSMZWKB-INIZCTEOSA-N 3 2 341.544 1.384 20 0 EDADLP C[C@@H](C[C@H]1CCCO1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105227466 441243899 /nfs/dbraw/zinc/24/38/99/441243899.db2.gz RWYPVUCGZYKLTM-DOTOQJQBSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H](C[C@H]1CCCO1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105227466 441243904 /nfs/dbraw/zinc/24/39/04/441243904.db2.gz RWYPVUCGZYKLTM-DOTOQJQBSA-N 2 2 340.512 1.611 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000106339553 441332877 /nfs/dbraw/zinc/33/28/77/441332877.db2.gz YLFDGHRKNBHQOE-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000106339553 441332881 /nfs/dbraw/zinc/33/28/81/441332881.db2.gz YLFDGHRKNBHQOE-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000073426816 441316470 /nfs/dbraw/zinc/31/64/70/441316470.db2.gz KJSYQGFQEMXQGB-UHFFFAOYSA-N 2 2 347.507 1.250 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnn4cccnc34)CC2)CC1 ZINC000050799267 441389610 /nfs/dbraw/zinc/38/96/10/441389610.db2.gz LVKXXOFKKGYRRF-UHFFFAOYSA-N 2 2 342.447 1.018 20 0 EDADLP CC1CC[NH+](CC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000025545595 441348762 /nfs/dbraw/zinc/34/87/62/441348762.db2.gz YLUJBCWTYKKUHE-IYBDPMFKSA-N 2 2 325.497 1.722 20 0 EDADLP CC1CC[NH+](CC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000025545595 441348767 /nfs/dbraw/zinc/34/87/67/441348767.db2.gz YLUJBCWTYKKUHE-IYBDPMFKSA-N 2 2 325.497 1.722 20 0 EDADLP CCOCC[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000107679445 441423746 /nfs/dbraw/zinc/42/37/46/441423746.db2.gz CPTJUTPNHKXOEF-UHFFFAOYSA-N 2 2 339.505 1.751 20 0 EDADLP CCOCC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000107679445 441423748 /nfs/dbraw/zinc/42/37/48/441423748.db2.gz CPTJUTPNHKXOEF-UHFFFAOYSA-N 2 2 339.505 1.751 20 0 EDADLP C[C@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[NH+]1CCCCCC1 ZINC000074425492 441434001 /nfs/dbraw/zinc/43/40/01/441434001.db2.gz WNUPIJKSNOQMST-MRXNPFEDSA-N 2 2 346.475 1.799 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000065475368 441442164 /nfs/dbraw/zinc/44/21/64/441442164.db2.gz JRNIMKSTJXWBBH-FUHWJXTLSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000065475368 441442168 /nfs/dbraw/zinc/44/21/68/441442168.db2.gz JRNIMKSTJXWBBH-FUHWJXTLSA-N 2 2 346.475 1.453 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000065104939 441403344 /nfs/dbraw/zinc/40/33/44/441403344.db2.gz MAYIIRMAONKAQC-IBGZPJMESA-N 2 2 344.503 1.648 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000065104939 441403346 /nfs/dbraw/zinc/40/33/46/441403346.db2.gz MAYIIRMAONKAQC-IBGZPJMESA-N 2 2 344.503 1.648 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108550040 441462757 /nfs/dbraw/zinc/46/27/57/441462757.db2.gz ODHWOQXLZAAMCQ-KRWDZBQOSA-N 2 2 343.475 1.965 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108550040 441462760 /nfs/dbraw/zinc/46/27/60/441462760.db2.gz ODHWOQXLZAAMCQ-KRWDZBQOSA-N 2 2 343.475 1.965 20 0 EDADLP c1nc(N2CCC[C@@H]([NH2+]C3CCCC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000112505966 441549584 /nfs/dbraw/zinc/54/95/84/441549584.db2.gz RLUXFUKJYMMTKT-MRXNPFEDSA-N 2 2 331.464 1.814 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751107 441504708 /nfs/dbraw/zinc/50/47/08/441504708.db2.gz FTNXVNAEKLAQHP-MSOLQXFVSA-N 2 2 338.540 1.639 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109751107 441504711 /nfs/dbraw/zinc/50/47/11/441504711.db2.gz FTNXVNAEKLAQHP-MSOLQXFVSA-N 2 2 338.540 1.639 20 0 EDADLP CC[N@H+](C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000066988298 441596974 /nfs/dbraw/zinc/59/69/74/441596974.db2.gz LIXJXWUOOWFDIM-INIZCTEOSA-N 2 2 345.447 1.769 20 0 EDADLP CC[N@@H+](C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000066988298 441596977 /nfs/dbraw/zinc/59/69/77/441596977.db2.gz LIXJXWUOOWFDIM-INIZCTEOSA-N 2 2 345.447 1.769 20 0 EDADLP O=C(CC[N@@H+]1CCCSCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000089981472 441608990 /nfs/dbraw/zinc/60/89/90/441608990.db2.gz ZJBRYPIGDGICIA-UHFFFAOYSA-N 2 2 334.489 1.559 20 0 EDADLP O=C(CC[N@H+]1CCCSCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000089981472 441609002 /nfs/dbraw/zinc/60/90/02/441609002.db2.gz ZJBRYPIGDGICIA-UHFFFAOYSA-N 2 2 334.489 1.559 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCCC[NH+]3CCCC3)ccc2n1C ZINC000076226682 441614630 /nfs/dbraw/zinc/61/46/30/441614630.db2.gz XETJDHSBALBPJD-UHFFFAOYSA-N 2 2 343.431 1.422 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NCC3([NH+](C)C)CCOCC3)cn21 ZINC000114027877 441631596 /nfs/dbraw/zinc/63/15/96/441631596.db2.gz PZPMFLWBKRGPSR-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000114199532 441641022 /nfs/dbraw/zinc/64/10/22/441641022.db2.gz IBJIIQQAVUGDEC-INIZCTEOSA-N 2 2 346.475 1.345 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000114199532 441641027 /nfs/dbraw/zinc/64/10/27/441641027.db2.gz IBJIIQQAVUGDEC-INIZCTEOSA-N 2 2 346.475 1.345 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCN1CCCS1(=O)=O ZINC000091075389 441656830 /nfs/dbraw/zinc/65/68/30/441656830.db2.gz GCUXXFRSEPEFKA-UHFFFAOYSA-N 2 2 339.505 1.522 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCN1CCCS1(=O)=O ZINC000091075389 441656831 /nfs/dbraw/zinc/65/68/31/441656831.db2.gz GCUXXFRSEPEFKA-UHFFFAOYSA-N 2 2 339.505 1.522 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000114825225 441687403 /nfs/dbraw/zinc/68/74/03/441687403.db2.gz VXMYFMFBNMZAOH-FUHWJXTLSA-N 2 2 345.491 1.954 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000114825225 441687407 /nfs/dbraw/zinc/68/74/07/441687407.db2.gz VXMYFMFBNMZAOH-FUHWJXTLSA-N 2 2 345.491 1.954 20 0 EDADLP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000158214381 441706729 /nfs/dbraw/zinc/70/67/29/441706729.db2.gz XOESAZNUVZTMNB-HUUCEWRRSA-N 2 2 338.452 1.887 20 0 EDADLP CCc1nn(C)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000091202454 441674115 /nfs/dbraw/zinc/67/41/15/441674115.db2.gz PPCORQLYLLIGIZ-UHFFFAOYSA-N 2 2 336.484 1.472 20 0 EDADLP CCc1nn(C)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000091202454 441674117 /nfs/dbraw/zinc/67/41/17/441674117.db2.gz PPCORQLYLLIGIZ-UHFFFAOYSA-N 2 2 336.484 1.472 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000115842545 441782677 /nfs/dbraw/zinc/78/26/77/441782677.db2.gz SVXFGJYCKPNSDE-OAHLLOKOSA-N 2 2 340.418 1.915 20 0 EDADLP c1cn(-c2cc(NC[C@]3([NH+]4CCOCC4)CCSC3)ncn2)c[nH+]1 ZINC000077489305 441791013 /nfs/dbraw/zinc/79/10/13/441791013.db2.gz XOSCAFXPLHCLON-MRXNPFEDSA-N 2 2 346.460 1.282 20 0 EDADLP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)s1 ZINC000092748417 441824492 /nfs/dbraw/zinc/82/44/92/441824492.db2.gz FIPBHPHBHHUFJH-TZMCWYRMSA-N 2 2 326.510 1.537 20 0 EDADLP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000092748417 441824493 /nfs/dbraw/zinc/82/44/93/441824493.db2.gz FIPBHPHBHHUFJH-TZMCWYRMSA-N 2 2 326.510 1.537 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000139904972 441829464 /nfs/dbraw/zinc/82/94/64/441829464.db2.gz ZYXASDZAJOZTID-ZBFHGGJFSA-N 2 2 336.480 1.561 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000139904972 441829467 /nfs/dbraw/zinc/82/94/67/441829467.db2.gz ZYXASDZAJOZTID-ZBFHGGJFSA-N 2 2 336.480 1.561 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000139904972 441829469 /nfs/dbraw/zinc/82/94/69/441829469.db2.gz ZYXASDZAJOZTID-ZBFHGGJFSA-N 2 2 336.480 1.561 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CCCCC3)CC[C@@H]21 ZINC000139904972 441829472 /nfs/dbraw/zinc/82/94/72/441829472.db2.gz ZYXASDZAJOZTID-ZBFHGGJFSA-N 2 2 336.480 1.561 20 0 EDADLP Nc1nc(-n2cccn2)cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000092896591 441837351 /nfs/dbraw/zinc/83/73/51/441837351.db2.gz QVKAHEIKZAPPNJ-CQSZACIVSA-N 2 2 327.436 1.699 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCN2CCc3ccccc32)CC[N@@H+]1C ZINC000123514907 441889879 /nfs/dbraw/zinc/88/98/79/441889879.db2.gz IQDCACJPRYNQKZ-SJLPKXTDSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCN2CCc3ccccc32)CC[N@H+]1C ZINC000123514907 441889885 /nfs/dbraw/zinc/88/98/85/441889885.db2.gz IQDCACJPRYNQKZ-SJLPKXTDSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCCN2CCc3ccccc32)CC[NH+]1C ZINC000123514907 441889891 /nfs/dbraw/zinc/88/98/91/441889891.db2.gz IQDCACJPRYNQKZ-SJLPKXTDSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCN2CCc3ccccc32)CC[NH+]1C ZINC000123514907 441889896 /nfs/dbraw/zinc/88/98/96/441889896.db2.gz IQDCACJPRYNQKZ-SJLPKXTDSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000174549095 441938139 /nfs/dbraw/zinc/93/81/39/441938139.db2.gz MTWCAAWIAJJOEU-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000174549095 441938140 /nfs/dbraw/zinc/93/81/40/441938140.db2.gz MTWCAAWIAJJOEU-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000174549095 441938142 /nfs/dbraw/zinc/93/81/42/441938142.db2.gz MTWCAAWIAJJOEU-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000124716492 441947505 /nfs/dbraw/zinc/94/75/05/441947505.db2.gz SCLPBIUQMQJYOK-SFHVURJKSA-N 2 2 348.466 1.866 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000124716492 441947510 /nfs/dbraw/zinc/94/75/10/441947510.db2.gz SCLPBIUQMQJYOK-SFHVURJKSA-N 2 2 348.466 1.866 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)[C@H](C)N1CCOCC1 ZINC000150939111 441978582 /nfs/dbraw/zinc/97/85/82/441978582.db2.gz MRQUPLLIRBCDSF-IRXDYDNUSA-N 2 2 332.492 1.745 20 0 EDADLP CSCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000151134646 442010976 /nfs/dbraw/zinc/01/09/76/442010976.db2.gz ZQNOIBOTAQJDGT-UHFFFAOYSA-N 2 2 335.517 1.934 20 0 EDADLP CSCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000151134646 442010986 /nfs/dbraw/zinc/01/09/86/442010986.db2.gz ZQNOIBOTAQJDGT-UHFFFAOYSA-N 2 2 335.517 1.934 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cc(Cl)cn2C)CC1 ZINC000120128071 442012707 /nfs/dbraw/zinc/01/27/07/442012707.db2.gz WAPJMRBITIKQPT-UHFFFAOYSA-N 2 2 326.872 1.711 20 0 EDADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)N1CCOCC1 ZINC000120159838 442019204 /nfs/dbraw/zinc/01/92/04/442019204.db2.gz LBWYUHBZPRWWSC-HXUWFJFHSA-N 2 2 346.519 1.992 20 0 EDADLP C[NH+]1CCC(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000079204894 442029756 /nfs/dbraw/zinc/02/97/56/442029756.db2.gz YXMAEFZYAMOQMD-UHFFFAOYSA-N 2 2 327.432 1.825 20 0 EDADLP CO[C@@H](C)c1nc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cs1 ZINC000161995763 442052626 /nfs/dbraw/zinc/05/26/26/442052626.db2.gz WJLSVINBIVXTJT-AWEZNQCLSA-N 2 2 326.510 1.920 20 0 EDADLP CO[C@@H](C)c1nc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cs1 ZINC000161995763 442052631 /nfs/dbraw/zinc/05/26/31/442052631.db2.gz WJLSVINBIVXTJT-AWEZNQCLSA-N 2 2 326.510 1.920 20 0 EDADLP C[NH+]1CCC(CNC(=O)C[C@H]2COC(=O)C2)([NH+]2CCCCC2)CC1 ZINC000162337545 442084206 /nfs/dbraw/zinc/08/42/06/442084206.db2.gz IPAMULJVQQISTK-OAHLLOKOSA-N 2 2 337.464 1.006 20 0 EDADLP Cn1c[nH+]cc1CNc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000126482135 442116267 /nfs/dbraw/zinc/11/62/67/442116267.db2.gz WDRFDJAOQOTLGY-OAHLLOKOSA-N 2 2 327.432 1.730 20 0 EDADLP Cn1c[nH+]cc1CNc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000126482135 442116270 /nfs/dbraw/zinc/11/62/70/442116270.db2.gz WDRFDJAOQOTLGY-OAHLLOKOSA-N 2 2 327.432 1.730 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000151952281 442146018 /nfs/dbraw/zinc/14/60/18/442146018.db2.gz NCFZORLJNHIIPO-UHFFFAOYSA-N 2 2 337.468 1.070 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000163175995 442147905 /nfs/dbraw/zinc/14/79/05/442147905.db2.gz MLUGUHISANABAB-NXEZZACHSA-N 2 2 327.226 1.452 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000163175995 442147907 /nfs/dbraw/zinc/14/79/07/442147907.db2.gz MLUGUHISANABAB-NXEZZACHSA-N 2 2 327.226 1.452 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000176149998 442182257 /nfs/dbraw/zinc/18/22/57/442182257.db2.gz GOKNXYRFWDCJNQ-JJXSEGSLSA-N 2 2 326.485 1.268 20 0 EDADLP C[NH2+]CCC[N@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000127239272 442184363 /nfs/dbraw/zinc/18/43/63/442184363.db2.gz NBINLVBMUQMZCU-UHFFFAOYSA-N 2 2 339.237 1.498 20 0 EDADLP C[NH2+]CCC[N@@H+](C)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000127239272 442184365 /nfs/dbraw/zinc/18/43/65/442184365.db2.gz NBINLVBMUQMZCU-UHFFFAOYSA-N 2 2 339.237 1.498 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000128239069 442254332 /nfs/dbraw/zinc/25/43/32/442254332.db2.gz HWYBOKYNVKAGMB-HZPDHXFCSA-N 2 2 331.464 1.786 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152424802 442210920 /nfs/dbraw/zinc/21/09/20/442210920.db2.gz MZRGNQJPHILYIX-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152424802 442210922 /nfs/dbraw/zinc/21/09/22/442210922.db2.gz MZRGNQJPHILYIX-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000152424802 442210927 /nfs/dbraw/zinc/21/09/27/442210927.db2.gz MZRGNQJPHILYIX-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000152424802 442210930 /nfs/dbraw/zinc/21/09/30/442210930.db2.gz MZRGNQJPHILYIX-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)c2ccccn2)C1 ZINC000127998450 442238925 /nfs/dbraw/zinc/23/89/25/442238925.db2.gz LVTNHMCUQFVPEB-IRXDYDNUSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)c2ccccn2)C1 ZINC000127998450 442238928 /nfs/dbraw/zinc/23/89/28/442238928.db2.gz LVTNHMCUQFVPEB-IRXDYDNUSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)C1 ZINC000127998450 442238933 /nfs/dbraw/zinc/23/89/33/442238933.db2.gz LVTNHMCUQFVPEB-IRXDYDNUSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)C1 ZINC000127998450 442238935 /nfs/dbraw/zinc/23/89/35/442238935.db2.gz LVTNHMCUQFVPEB-IRXDYDNUSA-N 2 2 348.491 1.547 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170834037 442271440 /nfs/dbraw/zinc/27/14/40/442271440.db2.gz CWLKJMSZCGDDAJ-CQSZACIVSA-N 2 2 337.468 1.238 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170834037 442271442 /nfs/dbraw/zinc/27/14/42/442271442.db2.gz CWLKJMSZCGDDAJ-CQSZACIVSA-N 2 2 337.468 1.238 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000153424556 442281946 /nfs/dbraw/zinc/28/19/46/442281946.db2.gz UICXYRMHGOTBLI-VQHPVUNQSA-N 2 2 336.480 1.769 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)CC1 ZINC000177025996 442287285 /nfs/dbraw/zinc/28/72/85/442287285.db2.gz VIIXYVDGGSCGPH-LPHOPBHVSA-N 2 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N([C@@H](C)C3CC3)C3CC3)C2)CC1 ZINC000177025996 442287290 /nfs/dbraw/zinc/28/72/90/442287290.db2.gz VIIXYVDGGSCGPH-LPHOPBHVSA-N 2 2 348.535 1.488 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171004873 442298083 /nfs/dbraw/zinc/29/80/83/442298083.db2.gz IQVQZIKCVCUKLM-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171004873 442298086 /nfs/dbraw/zinc/29/80/86/442298086.db2.gz IQVQZIKCVCUKLM-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171004873 442298088 /nfs/dbraw/zinc/29/80/88/442298088.db2.gz IQVQZIKCVCUKLM-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171004873 442298090 /nfs/dbraw/zinc/29/80/90/442298090.db2.gz IQVQZIKCVCUKLM-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129695018 442328583 /nfs/dbraw/zinc/32/85/83/442328583.db2.gz NQFIAGBHSHANOD-DLBZAZTESA-N 2 2 325.497 1.534 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129695018 442328588 /nfs/dbraw/zinc/32/85/88/442328588.db2.gz NQFIAGBHSHANOD-DLBZAZTESA-N 2 2 325.497 1.534 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171217103 442329449 /nfs/dbraw/zinc/32/94/49/442329449.db2.gz CJDQNOXAURODRV-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171217103 442329450 /nfs/dbraw/zinc/32/94/50/442329450.db2.gz CJDQNOXAURODRV-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(OCc2nccn2C)cc1 ZINC000154285263 442330357 /nfs/dbraw/zinc/33/03/57/442330357.db2.gz LXAZSJXZBWUMGR-HOCLYGCPSA-N 2 2 332.448 1.572 20 0 EDADLP C[NH+](C)C[C@H](O)CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000154321619 442332731 /nfs/dbraw/zinc/33/27/31/442332731.db2.gz NQJLXYHMMTWASE-QGZVFWFLSA-N 2 2 325.884 1.817 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000130661279 442352768 /nfs/dbraw/zinc/35/27/68/442352768.db2.gz ZYYVLTCYJAEZJQ-UHFFFAOYSA-N 2 2 347.444 1.536 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000130661279 442352770 /nfs/dbraw/zinc/35/27/70/442352770.db2.gz ZYYVLTCYJAEZJQ-UHFFFAOYSA-N 2 2 347.444 1.536 20 0 EDADLP Cc1cc(NC(=O)CC[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)no1 ZINC000177218105 442314687 /nfs/dbraw/zinc/31/46/87/442314687.db2.gz KOJXWJUNIRTPOP-LBPRGKRZSA-N 2 2 337.449 1.421 20 0 EDADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129447815 442317042 /nfs/dbraw/zinc/31/70/42/442317042.db2.gz LJGNZPUDIFNYKE-JDEYZFBPSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129447815 442317046 /nfs/dbraw/zinc/31/70/46/442317046.db2.gz LJGNZPUDIFNYKE-JDEYZFBPSA-N 2 2 337.508 1.724 20 0 EDADLP Cc1nc(COc2ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc2)no1 ZINC000131348834 442370427 /nfs/dbraw/zinc/37/04/27/442370427.db2.gz WBQVNQVNOZLJSO-QGZVFWFLSA-N 2 2 334.420 1.359 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CCC3CC[NH2+]CC3)c[nH+]2)CCO1 ZINC000155895750 442435375 /nfs/dbraw/zinc/43/53/75/442435375.db2.gz KERQARRAFYMWEV-OAHLLOKOSA-N 2 2 346.475 1.703 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000155913212 442436061 /nfs/dbraw/zinc/43/60/61/442436061.db2.gz LHFUBIGYWBDEEV-QLFBSQMISA-N 2 2 334.464 1.450 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000155913212 442436064 /nfs/dbraw/zinc/43/60/64/442436064.db2.gz LHFUBIGYWBDEEV-QLFBSQMISA-N 2 2 334.464 1.450 20 0 EDADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000134181151 442455737 /nfs/dbraw/zinc/45/57/37/442455737.db2.gz FZFZYTCWBVJOND-OAHLLOKOSA-N 2 2 325.497 1.534 20 0 EDADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000134181151 442455738 /nfs/dbraw/zinc/45/57/38/442455738.db2.gz FZFZYTCWBVJOND-OAHLLOKOSA-N 2 2 325.497 1.534 20 0 EDADLP COC(=O)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000134219692 442459505 /nfs/dbraw/zinc/45/95/05/442459505.db2.gz RGMGWGLPAOOKQG-UHFFFAOYSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000134219692 442459510 /nfs/dbraw/zinc/45/95/10/442459510.db2.gz RGMGWGLPAOOKQG-UHFFFAOYSA-N 2 2 339.480 1.393 20 0 EDADLP C[C@@H]1CSCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000172435764 442460593 /nfs/dbraw/zinc/46/05/93/442460593.db2.gz NIUZOFXJXBPRQT-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP C[C@@H]1CSCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000172435764 442460599 /nfs/dbraw/zinc/46/05/99/442460599.db2.gz NIUZOFXJXBPRQT-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP Cn1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1=O ZINC000172751537 442534153 /nfs/dbraw/zinc/53/41/53/442534153.db2.gz PYSMELJSVQQDIR-UHFFFAOYSA-N 2 2 346.475 1.065 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000178954190 442537595 /nfs/dbraw/zinc/53/75/95/442537595.db2.gz TVQMTBCPYQPWOC-DOTOQJQBSA-N 2 2 333.501 1.892 20 0 EDADLP COCC[N@H+](CC(=O)N(C)C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191945344 442545089 /nfs/dbraw/zinc/54/50/89/442545089.db2.gz ZHALMYQGHNTPPZ-UHFFFAOYSA-N 2 2 330.432 1.717 20 0 EDADLP COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191945344 442545094 /nfs/dbraw/zinc/54/50/94/442545094.db2.gz ZHALMYQGHNTPPZ-UHFFFAOYSA-N 2 2 330.432 1.717 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000192139256 442601832 /nfs/dbraw/zinc/60/18/32/442601832.db2.gz BQVLTWHVPZUAIP-OAHLLOKOSA-N 2 2 328.416 1.206 20 0 EDADLP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCn1cc[nH+]c1 ZINC000158016193 442637323 /nfs/dbraw/zinc/63/73/23/442637323.db2.gz DPLMVGBHJRWKCS-UHFFFAOYSA-N 2 2 342.447 1.836 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC[NH+](C)C)C[C@H](C)O1 ZINC000180642194 442641940 /nfs/dbraw/zinc/64/19/40/442641940.db2.gz WUQBULWOPQKWJR-GJZGRUSLSA-N 2 2 334.464 1.979 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000179407594 442643112 /nfs/dbraw/zinc/64/31/12/442643112.db2.gz RYTUMVZWXPQYEA-OAHLLOKOSA-N 2 2 330.432 1.260 20 0 EDADLP C[C@H]1CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000136088486 442650146 /nfs/dbraw/zinc/65/01/46/442650146.db2.gz FLJFBNBAXWRJTN-XQQFMLRXSA-N 2 2 330.354 1.929 20 0 EDADLP C[C@H]1CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000136088486 442650149 /nfs/dbraw/zinc/65/01/49/442650149.db2.gz FLJFBNBAXWRJTN-XQQFMLRXSA-N 2 2 330.354 1.929 20 0 EDADLP CN(Cc1ccccc1F)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179278973 442611285 /nfs/dbraw/zinc/61/12/85/442611285.db2.gz QIJAMFIWTOKVIS-UHFFFAOYSA-N 2 2 336.455 1.993 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000157768921 442611679 /nfs/dbraw/zinc/61/16/79/442611679.db2.gz QNKWJMSLISGJML-CABCVRRESA-N 2 2 328.416 1.992 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3c[nH+]cn3C)cc2)CC1 ZINC000186927959 442632068 /nfs/dbraw/zinc/63/20/68/442632068.db2.gz VMVRYLFQRBZFOX-UHFFFAOYSA-N 2 2 341.459 1.739 20 0 EDADLP COc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000181031827 442676190 /nfs/dbraw/zinc/67/61/90/442676190.db2.gz ZFSJYCUGRUVLQI-RDJZCZTQSA-N 2 2 347.459 1.279 20 0 EDADLP CC[NH+](CC)CCN1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000181365487 442692802 /nfs/dbraw/zinc/69/28/02/442692802.db2.gz UAJHLUWNLRQDQZ-GOSISDBHSA-N 2 2 326.529 1.055 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)[C@@H]1CCSC1 ZINC000136381431 442661515 /nfs/dbraw/zinc/66/15/15/442661515.db2.gz FMXRNGOGZOSWIJ-OAHLLOKOSA-N 2 2 349.504 1.209 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)[C@@H]1CCSC1 ZINC000136381431 442661519 /nfs/dbraw/zinc/66/15/19/442661519.db2.gz FMXRNGOGZOSWIJ-OAHLLOKOSA-N 2 2 349.504 1.209 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCOCC1 ZINC000181846169 442719367 /nfs/dbraw/zinc/71/93/67/442719367.db2.gz YNFXELWUHLELPD-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCOCC1 ZINC000181846169 442719369 /nfs/dbraw/zinc/71/93/69/442719369.db2.gz YNFXELWUHLELPD-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000188198451 442723635 /nfs/dbraw/zinc/72/36/35/442723635.db2.gz UQEHKEFVWVBGOI-MRXNPFEDSA-N 2 2 346.456 1.702 20 0 EDADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000188198451 442723637 /nfs/dbraw/zinc/72/36/37/442723637.db2.gz UQEHKEFVWVBGOI-MRXNPFEDSA-N 2 2 346.456 1.702 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000182084447 442734429 /nfs/dbraw/zinc/73/44/29/442734429.db2.gz SIMPMIFTRWWDRT-INIZCTEOSA-N 2 2 349.866 1.615 20 0 EDADLP COC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182191019 442744356 /nfs/dbraw/zinc/74/43/56/442744356.db2.gz LJMUNGPUGQGUGW-INIZCTEOSA-N 2 2 348.443 1.506 20 0 EDADLP COC(=O)c1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000182191019 442744357 /nfs/dbraw/zinc/74/43/57/442744357.db2.gz LJMUNGPUGQGUGW-INIZCTEOSA-N 2 2 348.443 1.506 20 0 EDADLP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000193804142 442789488 /nfs/dbraw/zinc/78/94/88/442789488.db2.gz UQUJPINKFRRPOS-INIZCTEOSA-N 2 2 336.432 1.239 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182581096 442789978 /nfs/dbraw/zinc/78/99/78/442789978.db2.gz RPBDVJZQTZMHQK-HRBLRVMOSA-N 2 2 336.524 1.486 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182581096 442789982 /nfs/dbraw/zinc/78/99/82/442789982.db2.gz RPBDVJZQTZMHQK-HRBLRVMOSA-N 2 2 336.524 1.486 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182581096 442789987 /nfs/dbraw/zinc/78/99/87/442789987.db2.gz RPBDVJZQTZMHQK-HRBLRVMOSA-N 2 2 336.524 1.486 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182581096 442789992 /nfs/dbraw/zinc/78/99/92/442789992.db2.gz RPBDVJZQTZMHQK-HRBLRVMOSA-N 2 2 336.524 1.486 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cn3c(cccc3C)[nH+]2)C1 ZINC000265506286 442800272 /nfs/dbraw/zinc/80/02/72/442800272.db2.gz DWLBIJCWHMVGTM-CQSZACIVSA-N 2 2 331.420 1.163 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2cn3c(cccc3C)[nH+]2)C1 ZINC000265506286 442800276 /nfs/dbraw/zinc/80/02/76/442800276.db2.gz DWLBIJCWHMVGTM-CQSZACIVSA-N 2 2 331.420 1.163 20 0 EDADLP Cc1ccc(CN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C2CC2)cc1 ZINC000193600087 442757988 /nfs/dbraw/zinc/75/79/88/442757988.db2.gz FNVYNTZTZOLBIV-HDICACEKSA-N 2 2 327.472 1.979 20 0 EDADLP Cc1ccc(CN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C2CC2)cc1 ZINC000193600087 442757989 /nfs/dbraw/zinc/75/79/89/442757989.db2.gz 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CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccncc1 ZINC000267877785 442776040 /nfs/dbraw/zinc/77/60/40/442776040.db2.gz FRDHGFFHRVJDET-SFHVURJKSA-N 2 2 348.491 1.377 20 0 EDADLP C[C@@H]1CC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246885064 442819721 /nfs/dbraw/zinc/81/97/21/442819721.db2.gz BDLPOEZXESKIMZ-HUUCEWRRSA-N 2 2 345.447 1.631 20 0 EDADLP C[C@@H]1CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246885064 442819723 /nfs/dbraw/zinc/81/97/23/442819723.db2.gz BDLPOEZXESKIMZ-HUUCEWRRSA-N 2 2 345.447 1.631 20 0 EDADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+]([C@@H]4CCOC4)C3)CC2)nc1 ZINC000268075813 442837858 /nfs/dbraw/zinc/83/78/58/442837858.db2.gz DWHDPFMJVSOQKY-QZTJIDSGSA-N 2 2 330.476 1.705 20 0 EDADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+]([C@@H]4CCOC4)C3)CC2)nc1 ZINC000268075813 442837860 /nfs/dbraw/zinc/83/78/60/442837860.db2.gz DWHDPFMJVSOQKY-QZTJIDSGSA-N 2 2 330.476 1.705 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000268077102 442838368 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EDADLP COCC[N@@H+](C)CCCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255723133 443108739 /nfs/dbraw/zinc/10/87/39/443108739.db2.gz ISUAFQDQNWMGGG-TWGQIWQCSA-N 2 2 342.443 1.970 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)OCCCO2 ZINC000268857360 443128394 /nfs/dbraw/zinc/12/83/94/443128394.db2.gz DCTUZOPFZBUNGD-GOEBONIOSA-N 2 2 347.459 1.838 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)OCCCO2 ZINC000268857360 443128399 /nfs/dbraw/zinc/12/83/99/443128399.db2.gz DCTUZOPFZBUNGD-GOEBONIOSA-N 2 2 347.459 1.838 20 0 EDADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268864868 443130483 /nfs/dbraw/zinc/13/04/83/443130483.db2.gz FEWZWAHRPBKAEV-CZUORRHYSA-N 2 2 335.448 1.694 20 0 EDADLP COc1ccc(OC)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268864868 443130487 /nfs/dbraw/zinc/13/04/87/443130487.db2.gz FEWZWAHRPBKAEV-CZUORRHYSA-N 2 2 335.448 1.694 20 0 EDADLP CC[N@H+](CCCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000266569399 443171120 /nfs/dbraw/zinc/17/11/20/443171120.db2.gz OVCXGBYYEIFWGX-UHFFFAOYSA-N 2 2 335.448 1.162 20 0 EDADLP CC[N@@H+](CCCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000266569399 443171123 /nfs/dbraw/zinc/17/11/23/443171123.db2.gz OVCXGBYYEIFWGX-UHFFFAOYSA-N 2 2 335.448 1.162 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261842092 443171706 /nfs/dbraw/zinc/17/17/06/443171706.db2.gz QSHZCTZQYBAUMR-SFHVURJKSA-N 2 2 342.443 1.644 20 0 EDADLP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000262038210 443181223 /nfs/dbraw/zinc/18/12/23/443181223.db2.gz XYHORGRSYXAHOC-FZMZJTMJSA-N 2 2 340.265 1.907 20 0 EDADLP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000262038210 443181226 /nfs/dbraw/zinc/18/12/26/443181226.db2.gz XYHORGRSYXAHOC-FZMZJTMJSA-N 2 2 340.265 1.907 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000262138482 443183706 /nfs/dbraw/zinc/18/37/06/443183706.db2.gz DTVGMRAWKQOVKV-JCKWVBRZSA-N 2 2 341.415 1.738 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@]4(CCOC4)C3)c2cc1C ZINC000185156681 443149799 /nfs/dbraw/zinc/14/97/99/443149799.db2.gz XVSLONNNNKLBPW-VQIMIIECSA-N 2 2 345.443 1.505 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@]4(CCOC4)C3)c2cc1C ZINC000185156681 443149801 /nfs/dbraw/zinc/14/98/01/443149801.db2.gz XVSLONNNNKLBPW-VQIMIIECSA-N 2 2 345.443 1.505 20 0 EDADLP C[C@H]1OCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000268951453 443157187 /nfs/dbraw/zinc/15/71/87/443157187.db2.gz CLIYYLDELLXJPM-IAGOWNOFSA-N 2 2 331.460 1.440 20 0 EDADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000261618427 443161035 /nfs/dbraw/zinc/16/10/35/443161035.db2.gz FUSPYKQDFPMHCP-KZNAEPCWSA-N 2 2 334.508 1.147 20 0 EDADLP COc1cccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000266646168 443196193 /nfs/dbraw/zinc/19/61/93/443196193.db2.gz CTZBGRBTAYVAEV-INIZCTEOSA-N 2 2 347.459 1.678 20 0 EDADLP COc1cccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000266646168 443196197 /nfs/dbraw/zinc/19/61/97/443196197.db2.gz CTZBGRBTAYVAEV-INIZCTEOSA-N 2 2 347.459 1.678 20 0 EDADLP Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000266735233 443223978 /nfs/dbraw/zinc/22/39/78/443223978.db2.gz IRZZPBIDJULGIW-UHFFFAOYSA-N 2 2 334.464 1.502 20 0 EDADLP Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000266735233 443223980 /nfs/dbraw/zinc/22/39/80/443223980.db2.gz IRZZPBIDJULGIW-UHFFFAOYSA-N 2 2 334.464 1.502 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000245421352 443225988 /nfs/dbraw/zinc/22/59/88/443225988.db2.gz HXCMHHJHEATSMC-HOCLYGCPSA-N 2 2 338.496 1.807 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000245421352 443225992 /nfs/dbraw/zinc/22/59/92/443225992.db2.gz HXCMHHJHEATSMC-HOCLYGCPSA-N 2 2 338.496 1.807 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000245421352 443225993 /nfs/dbraw/zinc/22/59/93/443225993.db2.gz HXCMHHJHEATSMC-HOCLYGCPSA-N 2 2 338.496 1.807 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC2CCCCC2)[C@@H](C)C1 ZINC000245421352 443225997 /nfs/dbraw/zinc/22/59/97/443225997.db2.gz HXCMHHJHEATSMC-HOCLYGCPSA-N 2 2 338.496 1.807 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(=O)OC ZINC000245441840 443228497 /nfs/dbraw/zinc/22/84/97/443228497.db2.gz HPQQHOADSIKWLT-FQLMCAECSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)C(=O)OC ZINC000245441840 443228498 /nfs/dbraw/zinc/22/84/98/443228498.db2.gz HPQQHOADSIKWLT-FQLMCAECSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC ZINC000245441840 443228502 /nfs/dbraw/zinc/22/85/02/443228502.db2.gz HPQQHOADSIKWLT-FQLMCAECSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC ZINC000245441840 443228504 /nfs/dbraw/zinc/22/85/04/443228504.db2.gz HPQQHOADSIKWLT-FQLMCAECSA-N 2 2 327.469 1.105 20 0 EDADLP COc1cc2c(cc1C[NH+]1CCN([C@H]3CC[NH2+]C3)CC1)O[C@@H](C)C2 ZINC000326856319 318945855 /nfs/dbraw/zinc/94/58/55/318945855.db2.gz PRKBBMISLMCDBL-YOEHRIQHSA-N 2 2 331.460 1.498 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263783329 443238379 /nfs/dbraw/zinc/23/83/79/443238379.db2.gz HGMGBESQWDQYET-INIZCTEOSA-N 2 2 325.416 1.968 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000269223555 443238422 /nfs/dbraw/zinc/23/84/22/443238422.db2.gz AXRCCEHPKMMIOO-NVXWUHKLSA-N 2 2 346.406 1.533 20 0 EDADLP C[NH+](C)CCOc1cc(-c2noc([C@@H]3C[N@H+](C)CCO3)n2)ccn1 ZINC000351212255 319096430 /nfs/dbraw/zinc/09/64/30/319096430.db2.gz FAKYQZBHRFYSNM-ZDUSSCGKSA-N 2 2 333.392 1.075 20 0 EDADLP C[NH+](C)CCOc1cc(-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)ccn1 ZINC000351212255 319096433 /nfs/dbraw/zinc/09/64/33/319096433.db2.gz FAKYQZBHRFYSNM-ZDUSSCGKSA-N 2 2 333.392 1.075 20 0 EDADLP C[NH+](C)C1(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CCCC1 ZINC000413049512 319260222 /nfs/dbraw/zinc/26/02/22/319260222.db2.gz SYSDVNWZGSYPKI-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc[nH+]1 ZINC000413536346 319274615 /nfs/dbraw/zinc/27/46/15/319274615.db2.gz VIAKXCKHWBSDFS-HZPDHXFCSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc[nH+]1 ZINC000413536346 319274618 /nfs/dbraw/zinc/27/46/18/319274618.db2.gz VIAKXCKHWBSDFS-HZPDHXFCSA-N 2 2 341.459 1.980 20 0 EDADLP COc1ccccc1N1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000414376564 319325180 /nfs/dbraw/zinc/32/51/80/319325180.db2.gz HVSOHQPYQPKCHN-CQSZACIVSA-N 2 2 329.448 1.863 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000415087093 319346432 /nfs/dbraw/zinc/34/64/32/319346432.db2.gz TWDJHKYVRYDGER-RVKKMQEKSA-N 2 2 331.460 1.778 20 0 EDADLP C[C@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415127714 319346844 /nfs/dbraw/zinc/34/68/44/319346844.db2.gz SGNJQERQGOTBBN-HKUYNNGSSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415127714 319346846 /nfs/dbraw/zinc/34/68/46/319346846.db2.gz SGNJQERQGOTBBN-HKUYNNGSSA-N 2 2 344.503 1.390 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415859047 319379040 /nfs/dbraw/zinc/37/90/40/319379040.db2.gz ABKZITXJUGEJPE-CQSZACIVSA-N 2 2 327.388 1.069 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000415870912 319380106 /nfs/dbraw/zinc/38/01/06/319380106.db2.gz PTTRXDKPLMGXHI-HNNXBMFYSA-N 2 2 341.415 1.284 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000246166676 443274757 /nfs/dbraw/zinc/27/47/57/443274757.db2.gz FNEIOFRXDAAXJO-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000246166676 443274761 /nfs/dbraw/zinc/27/47/61/443274761.db2.gz FNEIOFRXDAAXJO-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000246166676 443274766 /nfs/dbraw/zinc/27/47/66/443274766.db2.gz FNEIOFRXDAAXJO-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000246166676 443274768 /nfs/dbraw/zinc/27/47/68/443274768.db2.gz FNEIOFRXDAAXJO-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000266979266 443308001 /nfs/dbraw/zinc/30/80/01/443308001.db2.gz FEAHSIVLOMEZHU-ROUUACIJSA-N 2 2 349.450 1.627 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000266979266 443308003 /nfs/dbraw/zinc/30/80/03/443308003.db2.gz FEAHSIVLOMEZHU-ROUUACIJSA-N 2 2 349.450 1.627 20 0 EDADLP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000266979266 443308005 /nfs/dbraw/zinc/30/80/05/443308005.db2.gz FEAHSIVLOMEZHU-ROUUACIJSA-N 2 2 349.450 1.627 20 0 EDADLP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000266979266 443308007 /nfs/dbraw/zinc/30/80/07/443308007.db2.gz FEAHSIVLOMEZHU-ROUUACIJSA-N 2 2 349.450 1.627 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000416890144 319470043 /nfs/dbraw/zinc/47/00/43/319470043.db2.gz SBNUYPBBCYENRV-ROUUACIJSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416910714 319472261 /nfs/dbraw/zinc/47/22/61/319472261.db2.gz HXMVDNJWAKNDJH-PBHICJAKSA-N 2 2 327.432 1.729 20 0 EDADLP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418368950 319500197 /nfs/dbraw/zinc/50/01/97/319500197.db2.gz MVAILXUMJRYKKB-KRWDZBQOSA-N 2 2 334.439 1.795 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418460395 319501883 /nfs/dbraw/zinc/50/18/83/319501883.db2.gz KECOJXKZRGTKPX-FUHWJXTLSA-N 2 2 346.475 1.520 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)COc2cccc(Cl)c2)CC1 ZINC000267193081 443372582 /nfs/dbraw/zinc/37/25/82/443372582.db2.gz BTIZRGOJBLAKLU-UHFFFAOYSA-N 2 2 339.867 1.861 20 0 EDADLP COc1cc2[nH+]c(NCCC[NH+]3CCOCC3)nc(N)c2cc1OC ZINC000264630143 443353964 /nfs/dbraw/zinc/35/39/64/443353964.db2.gz KJNCICIZNGDHFJ-UHFFFAOYSA-N 2 2 347.419 1.363 20 0 EDADLP CCc1ccc([C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)cc1 ZINC000282513812 443360814 /nfs/dbraw/zinc/36/08/14/443360814.db2.gz OUEOCKBVLCBPAZ-IBGZPJMESA-N 2 2 345.487 1.786 20 0 EDADLP CCc1ccc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)cc1 ZINC000282513812 443360818 /nfs/dbraw/zinc/36/08/18/443360818.db2.gz OUEOCKBVLCBPAZ-IBGZPJMESA-N 2 2 345.487 1.786 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC[N@@H+]1C ZINC000282844313 443449412 /nfs/dbraw/zinc/44/94/12/443449412.db2.gz BHERFRMEKJKFEV-HOCLYGCPSA-N 2 2 332.448 1.265 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC[N@H+]1C ZINC000282844313 443449416 /nfs/dbraw/zinc/44/94/16/443449416.db2.gz BHERFRMEKJKFEV-HOCLYGCPSA-N 2 2 332.448 1.265 20 0 EDADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422951320 319741008 /nfs/dbraw/zinc/74/10/08/319741008.db2.gz YCBOEKOEAMDFMF-WWGRRREGSA-N 2 2 325.478 1.586 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cccc(C=O)c1 ZINC000264987000 443500870 /nfs/dbraw/zinc/50/08/70/443500870.db2.gz QRASVOTVCBBIAR-UHFFFAOYSA-N 2 2 347.459 1.362 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1cccc(C=O)c1 ZINC000264987000 443500874 /nfs/dbraw/zinc/50/08/74/443500874.db2.gz QRASVOTVCBBIAR-UHFFFAOYSA-N 2 2 347.459 1.362 20 0 EDADLP CC1(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000272979120 443508614 /nfs/dbraw/zinc/50/86/14/443508614.db2.gz IUJMVKXVNAMIER-UHFFFAOYSA-N 2 2 331.460 1.638 20 0 EDADLP C[C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[NH+]1CCCCCC1 ZINC000265028833 443512598 /nfs/dbraw/zinc/51/25/98/443512598.db2.gz KBOZJZIGIUJPRH-MRXNPFEDSA-N 2 2 346.475 1.799 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000267635707 443522309 /nfs/dbraw/zinc/52/23/09/443522309.db2.gz UEFGMFVLTMYHQQ-UHFFFAOYSA-N 2 2 338.427 1.125 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000267635707 443522313 /nfs/dbraw/zinc/52/23/13/443522313.db2.gz UEFGMFVLTMYHQQ-UHFFFAOYSA-N 2 2 338.427 1.125 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000273055697 443529650 /nfs/dbraw/zinc/52/96/50/443529650.db2.gz IGXKEJHHUVYOJC-SFHVURJKSA-N 2 2 345.487 1.608 20 0 EDADLP C[C@@H](C[NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423749284 319810450 /nfs/dbraw/zinc/81/04/50/319810450.db2.gz RLALWAIIZHVDKU-LBPRGKRZSA-N 2 2 335.839 1.227 20 0 EDADLP CCn1nccc1CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000283235749 443570209 /nfs/dbraw/zinc/57/02/09/443570209.db2.gz TWFPETGDJZSBRO-RDJZCZTQSA-N 2 2 348.470 1.723 20 0 EDADLP CCn1nccc1CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000283235749 443570213 /nfs/dbraw/zinc/57/02/13/443570213.db2.gz TWFPETGDJZSBRO-RDJZCZTQSA-N 2 2 348.470 1.723 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000279261324 443543431 /nfs/dbraw/zinc/54/34/31/443543431.db2.gz IFISFUVIOZQBLE-MRXNPFEDSA-N 2 2 342.443 1.724 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@@H](C)C[NH+]3CCOCC3)cn2c1 ZINC000279571585 443609391 /nfs/dbraw/zinc/60/93/91/443609391.db2.gz SXYJBJGWVQKMEG-HNNXBMFYSA-N 2 2 345.447 1.505 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000272414307 443617712 /nfs/dbraw/zinc/61/77/12/443617712.db2.gz GDSAMHKVFRCGBX-GDBMZVCRSA-N 2 2 327.432 1.612 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000272414307 443617715 /nfs/dbraw/zinc/61/77/15/443617715.db2.gz GDSAMHKVFRCGBX-GDBMZVCRSA-N 2 2 327.432 1.612 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1C ZINC000438083385 320033240 /nfs/dbraw/zinc/03/32/40/320033240.db2.gz USTUQYLVPQWDIW-UHFFFAOYSA-N 2 2 334.464 1.779 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000440273232 320068326 /nfs/dbraw/zinc/06/83/26/320068326.db2.gz VPEXGBVWYARSTL-ZDUSSCGKSA-N 2 2 341.415 1.188 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000440273232 320068329 /nfs/dbraw/zinc/06/83/29/320068329.db2.gz VPEXGBVWYARSTL-ZDUSSCGKSA-N 2 2 341.415 1.188 20 0 EDADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)c1 ZINC000440283726 320069380 /nfs/dbraw/zinc/06/93/80/320069380.db2.gz LYDVKXQLYWRFJL-HNNXBMFYSA-N 2 2 346.475 1.629 20 0 EDADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000440283726 320069383 /nfs/dbraw/zinc/06/93/83/320069383.db2.gz LYDVKXQLYWRFJL-HNNXBMFYSA-N 2 2 346.475 1.629 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)CC)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000456523989 320309009 /nfs/dbraw/zinc/30/90/09/320309009.db2.gz ORIKODHRVJHWPB-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)CC)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000456523989 320309011 /nfs/dbraw/zinc/30/90/11/320309011.db2.gz ORIKODHRVJHWPB-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)NCCCC[NH+](C)C1CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000457174782 320322020 /nfs/dbraw/zinc/32/20/20/320322020.db2.gz WTBYLPXPSPTAJN-DLBZAZTESA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCCCC[NH+](C)C1CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000457174782 320322021 /nfs/dbraw/zinc/32/20/21/320322021.db2.gz WTBYLPXPSPTAJN-DLBZAZTESA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCO[C@@H](CC)C1 ZINC000457174782 320322022 /nfs/dbraw/zinc/32/20/22/320322022.db2.gz WTBYLPXPSPTAJN-DLBZAZTESA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCO[C@@H](CC)C1 ZINC000457174782 320322023 /nfs/dbraw/zinc/32/20/23/320322023.db2.gz WTBYLPXPSPTAJN-DLBZAZTESA-N 2 2 325.497 1.866 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000458607946 320338339 /nfs/dbraw/zinc/33/83/39/320338339.db2.gz XYWUQVVNTIXLID-UHFFFAOYSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000458607946 320338340 /nfs/dbraw/zinc/33/83/40/320338340.db2.gz XYWUQVVNTIXLID-UHFFFAOYSA-N 3 2 339.528 1.186 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000489351605 320359355 /nfs/dbraw/zinc/35/93/55/320359355.db2.gz QTSKRSCMQCQGLZ-IBGZPJMESA-N 2 2 345.487 1.931 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000489351605 320359356 /nfs/dbraw/zinc/35/93/56/320359356.db2.gz QTSKRSCMQCQGLZ-IBGZPJMESA-N 2 2 345.487 1.931 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000490887921 320364282 /nfs/dbraw/zinc/36/42/82/320364282.db2.gz XLTKAYDHACCFPC-LTIDMASMSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000490887921 320364283 /nfs/dbraw/zinc/36/42/83/320364283.db2.gz XLTKAYDHACCFPC-LTIDMASMSA-N 2 2 328.460 1.897 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000493132876 320393186 /nfs/dbraw/zinc/39/31/86/320393186.db2.gz RKIVBONWCBIZFL-ATPLWMGHSA-N 2 2 344.278 1.625 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000493132876 320393187 /nfs/dbraw/zinc/39/31/87/320393187.db2.gz RKIVBONWCBIZFL-ATPLWMGHSA-N 2 2 344.278 1.625 20 0 EDADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000514855836 320430698 /nfs/dbraw/zinc/43/06/98/320430698.db2.gz CUFLTUFDZCTOMM-OAHLLOKOSA-N 2 2 339.395 1.179 20 0 EDADLP CNC(=O)[C@H](C)C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286389848 443703595 /nfs/dbraw/zinc/70/35/95/443703595.db2.gz KUJBIHMJXSYHIH-QGZVFWFLSA-N 2 2 332.492 1.513 20 0 EDADLP CNC(=O)[C@H](C)C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286389848 443703597 /nfs/dbraw/zinc/70/35/97/443703597.db2.gz KUJBIHMJXSYHIH-QGZVFWFLSA-N 2 2 332.492 1.513 20 0 EDADLP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000516966103 320444047 /nfs/dbraw/zinc/44/40/47/320444047.db2.gz VJYATMBMVWBRHH-ARFHVFGLSA-N 2 2 345.443 1.945 20 0 EDADLP CO[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000625520192 450406051 /nfs/dbraw/zinc/40/60/51/450406051.db2.gz UXMUTTGSOIZEKD-WMZOPIPTSA-N 2 2 349.450 1.798 20 0 EDADLP CO[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000625520192 450406054 /nfs/dbraw/zinc/40/60/54/450406054.db2.gz UXMUTTGSOIZEKD-WMZOPIPTSA-N 2 2 349.450 1.798 20 0 EDADLP Cc1nc2cc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)ccc2o1 ZINC000280481753 443723663 /nfs/dbraw/zinc/72/36/63/443723663.db2.gz UXOOZJOGOLJULI-UHFFFAOYSA-N 2 2 330.432 1.892 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283825561 443733020 /nfs/dbraw/zinc/73/30/20/443733020.db2.gz FQFMPCINMTZKKF-BQYQJAHWSA-N 2 2 339.443 1.704 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000276539328 443740367 /nfs/dbraw/zinc/74/03/67/443740367.db2.gz IQFONUWYOFCYSU-UHFFFAOYSA-N 2 2 328.420 1.138 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000292409984 443794143 /nfs/dbraw/zinc/79/41/43/443794143.db2.gz NIQDAHSUQMUUMQ-JKSUJKDBSA-N 2 2 349.385 1.943 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000292409984 443794151 /nfs/dbraw/zinc/79/41/51/443794151.db2.gz NIQDAHSUQMUUMQ-JKSUJKDBSA-N 2 2 349.385 1.943 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000528650280 320558184 /nfs/dbraw/zinc/55/81/84/320558184.db2.gz UXZXCOPOHLCUMM-INIZCTEOSA-N 2 2 341.459 1.518 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)NCc3c[nH+]cn3C)CC2)cs1 ZINC000292079043 443776171 /nfs/dbraw/zinc/77/61/71/443776171.db2.gz UBKKSANRQFMUPU-UHFFFAOYSA-N 2 2 333.461 1.713 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000281107752 443820865 /nfs/dbraw/zinc/82/08/65/443820865.db2.gz HFCZDLVAYFUGIR-MRXNPFEDSA-N 2 2 342.447 1.527 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000298847611 443884411 /nfs/dbraw/zinc/88/44/11/443884411.db2.gz XCNHXHPLQQMNFW-HNNXBMFYSA-N 2 2 347.463 1.264 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000298904128 443897923 /nfs/dbraw/zinc/89/79/23/443897923.db2.gz BJNGXOJQTAFSCZ-UHFFFAOYSA-N 2 2 331.420 1.702 20 0 EDADLP C[C@@H](CCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[NH+]1CCCCC1 ZINC000298732386 443852549 /nfs/dbraw/zinc/85/25/49/443852549.db2.gz VJICIILBNITSBN-AWEZNQCLSA-N 2 2 343.431 1.654 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000299068885 443945645 /nfs/dbraw/zinc/94/56/45/443945645.db2.gz BHYAOUKDUSGMNJ-ZBFHGGJFSA-N 2 2 330.432 1.224 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000299068885 443945648 /nfs/dbraw/zinc/94/56/48/443945648.db2.gz BHYAOUKDUSGMNJ-ZBFHGGJFSA-N 2 2 330.432 1.224 20 0 EDADLP COC(=O)[C@H](C)C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285476747 443998823 /nfs/dbraw/zinc/99/88/23/443998823.db2.gz BARKMWNCFCAWAQ-QGZVFWFLSA-N 2 2 333.476 1.940 20 0 EDADLP COC(=O)[C@H](C)C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285476747 443998825 /nfs/dbraw/zinc/99/88/25/443998825.db2.gz BARKMWNCFCAWAQ-QGZVFWFLSA-N 2 2 333.476 1.940 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000281770479 444001507 /nfs/dbraw/zinc/00/15/07/444001507.db2.gz SJPBNLNGTSHQJX-UHFFFAOYSA-N 2 2 334.855 1.510 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000299469314 444054675 /nfs/dbraw/zinc/05/46/75/444054675.db2.gz YIVQTGHICOFYIN-CYBMUJFWSA-N 2 2 329.404 1.216 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000563139087 321098158 /nfs/dbraw/zinc/09/81/58/321098158.db2.gz VJCBLBSEDRTKLQ-VQTJNVASSA-N 3 2 347.503 1.188 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000563139087 321098159 /nfs/dbraw/zinc/09/81/59/321098159.db2.gz VJCBLBSEDRTKLQ-VQTJNVASSA-N 3 2 347.503 1.188 20 0 EDADLP C[NH+](C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139087 321098161 /nfs/dbraw/zinc/09/81/61/321098161.db2.gz VJCBLBSEDRTKLQ-VQTJNVASSA-N 3 2 347.503 1.188 20 0 EDADLP C[NH+](C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000563139087 321098163 /nfs/dbraw/zinc/09/81/63/321098163.db2.gz VJCBLBSEDRTKLQ-VQTJNVASSA-N 3 2 347.503 1.188 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCCN2CCNC(=O)C2)n1-c1ccccc1 ZINC000563419419 321110407 /nfs/dbraw/zinc/11/04/07/321110407.db2.gz UUADIGOZNIUQJL-UHFFFAOYSA-N 2 2 327.432 1.092 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000563885727 321114573 /nfs/dbraw/zinc/11/45/73/321114573.db2.gz SVDALCMDQNCCOC-KRWDZBQOSA-N 2 2 346.406 1.533 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cc(-c3ccccc3)on2)[C@H](C[NH3+])C1 ZINC000564308867 321126948 /nfs/dbraw/zinc/12/69/48/321126948.db2.gz OWQANEFVWBORIC-OAHLLOKOSA-N 2 2 329.404 1.126 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc(-c3ccccc3)on2)[C@H](C[NH3+])C1 ZINC000564308867 321126950 /nfs/dbraw/zinc/12/69/50/321126950.db2.gz OWQANEFVWBORIC-OAHLLOKOSA-N 2 2 329.404 1.126 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000564430451 321131132 /nfs/dbraw/zinc/13/11/32/321131132.db2.gz GJHSWGCBUCMOAG-HZPDHXFCSA-N 2 2 327.432 1.951 20 0 EDADLP CC[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564859476 321152284 /nfs/dbraw/zinc/15/22/84/321152284.db2.gz FQPCLBKHFMQXTG-RQJABVFESA-N 2 2 342.402 1.404 20 0 EDADLP CC[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564859476 321152285 /nfs/dbraw/zinc/15/22/85/321152285.db2.gz FQPCLBKHFMQXTG-RQJABVFESA-N 2 2 342.402 1.404 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000564992704 321163515 /nfs/dbraw/zinc/16/35/15/321163515.db2.gz ISBFJOSYGNHNBY-JMLCCBQJSA-N 2 2 346.475 1.028 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000564992704 321163516 /nfs/dbraw/zinc/16/35/16/321163516.db2.gz ISBFJOSYGNHNBY-JMLCCBQJSA-N 2 2 346.475 1.028 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000565249642 321179728 /nfs/dbraw/zinc/17/97/28/321179728.db2.gz FDJPFUZMEIUAKO-DLBZAZTESA-N 2 2 332.448 1.029 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCCc2ccccc21 ZINC000565311760 321181069 /nfs/dbraw/zinc/18/10/69/321181069.db2.gz JGCWGVCCEMGPBR-HKUYNNGSSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCCc2ccccc21 ZINC000565311760 321181070 /nfs/dbraw/zinc/18/10/70/321181070.db2.gz JGCWGVCCEMGPBR-HKUYNNGSSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000565311760 321181071 /nfs/dbraw/zinc/18/10/71/321181071.db2.gz JGCWGVCCEMGPBR-HKUYNNGSSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000565311760 321181073 /nfs/dbraw/zinc/18/10/73/321181073.db2.gz JGCWGVCCEMGPBR-HKUYNNGSSA-N 2 2 336.476 1.297 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000567657440 321251146 /nfs/dbraw/zinc/25/11/46/321251146.db2.gz QBRSXZBLFYZSOQ-PMPSAXMXSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000567657440 321251148 /nfs/dbraw/zinc/25/11/48/321251148.db2.gz QBRSXZBLFYZSOQ-PMPSAXMXSA-N 2 2 328.501 1.515 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)CC[C@H](C)[NH3+])[C@H]1CC12CC[NH2+]CC2 ZINC000567906870 321268345 /nfs/dbraw/zinc/26/83/45/321268345.db2.gz ASYTZCHGKWLVPD-GJZGRUSLSA-N 3 2 333.480 1.501 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2nccs2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000568230617 321283468 /nfs/dbraw/zinc/28/34/68/321283468.db2.gz YGCNXIXJYBFEEH-LSDHHAIUSA-N 2 2 345.472 1.517 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2nccs2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000568230617 321283469 /nfs/dbraw/zinc/28/34/69/321283469.db2.gz YGCNXIXJYBFEEH-LSDHHAIUSA-N 2 2 345.472 1.517 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000569985272 321333339 /nfs/dbraw/zinc/33/33/39/321333339.db2.gz BJBFSJFFYUPOGX-FHLIZLRMSA-N 2 2 342.443 1.340 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000569985272 321333340 /nfs/dbraw/zinc/33/33/40/321333340.db2.gz BJBFSJFFYUPOGX-FHLIZLRMSA-N 2 2 342.443 1.340 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000569985272 321333342 /nfs/dbraw/zinc/33/33/42/321333342.db2.gz BJBFSJFFYUPOGX-FHLIZLRMSA-N 2 2 342.443 1.340 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000569985272 321333344 /nfs/dbraw/zinc/33/33/44/321333344.db2.gz BJBFSJFFYUPOGX-FHLIZLRMSA-N 2 2 342.443 1.340 20 0 EDADLP O=C1NC(=O)N2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]12 ZINC000570927662 321363624 /nfs/dbraw/zinc/36/36/24/321363624.db2.gz AVOYYHZXRFIXJV-KRWDZBQOSA-N 2 2 342.443 1.409 20 0 EDADLP O=C1NC(=O)N2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]12 ZINC000570927662 321363625 /nfs/dbraw/zinc/36/36/25/321363625.db2.gz AVOYYHZXRFIXJV-KRWDZBQOSA-N 2 2 342.443 1.409 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000570939817 321365266 /nfs/dbraw/zinc/36/52/66/321365266.db2.gz MQTJCZIICVXCGL-MOPGFXCFSA-N 2 2 335.492 1.829 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000570939817 321365268 /nfs/dbraw/zinc/36/52/68/321365268.db2.gz MQTJCZIICVXCGL-MOPGFXCFSA-N 2 2 335.492 1.829 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000570939817 321365270 /nfs/dbraw/zinc/36/52/70/321365270.db2.gz MQTJCZIICVXCGL-MOPGFXCFSA-N 2 2 335.492 1.829 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000570939817 321365271 /nfs/dbraw/zinc/36/52/71/321365271.db2.gz MQTJCZIICVXCGL-MOPGFXCFSA-N 2 2 335.492 1.829 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000571101968 321371416 /nfs/dbraw/zinc/37/14/16/321371416.db2.gz ZMNIEYVBAXTKAP-UHFFFAOYSA-N 2 2 328.416 1.516 20 0 EDADLP C[C@@H]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@@H]1C[NH3+] ZINC000571325738 321382673 /nfs/dbraw/zinc/38/26/73/321382673.db2.gz XFBVEYSLHSGIGO-ZBFHGGJFSA-N 2 2 333.480 1.075 20 0 EDADLP Cc1cccc(NC[C@H]2CCN(c3cc(NC[C@@H](C)O)[nH+]cn3)C2)[nH+]1 ZINC000294414483 444116340 /nfs/dbraw/zinc/11/63/40/444116340.db2.gz OANIFIWGEIPHRA-HUUCEWRRSA-N 2 2 342.447 1.911 20 0 EDADLP Cc1cccc(NC[C@H]2CCN(c3cc(NC[C@@H](C)O)nc[nH+]3)C2)[nH+]1 ZINC000294414483 444116343 /nfs/dbraw/zinc/11/63/43/444116343.db2.gz OANIFIWGEIPHRA-HUUCEWRRSA-N 2 2 342.447 1.911 20 0 EDADLP C[N@H+](CCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)Cc1ccccc1 ZINC000285902474 444147411 /nfs/dbraw/zinc/14/74/11/444147411.db2.gz KIOICLYZNYLCHM-INIZCTEOSA-N 2 2 341.415 1.395 20 0 EDADLP C[N@@H+](CCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)Cc1ccccc1 ZINC000285902474 444147413 /nfs/dbraw/zinc/14/74/13/444147413.db2.gz KIOICLYZNYLCHM-INIZCTEOSA-N 2 2 341.415 1.395 20 0 EDADLP C[N@H+](CCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)Cc1ccccc1 ZINC000285902474 444147415 /nfs/dbraw/zinc/14/74/15/444147415.db2.gz KIOICLYZNYLCHM-INIZCTEOSA-N 2 2 341.415 1.395 20 0 EDADLP C[N@@H+](CCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)Cc1ccccc1 ZINC000285902474 444147416 /nfs/dbraw/zinc/14/74/16/444147416.db2.gz KIOICLYZNYLCHM-INIZCTEOSA-N 2 2 341.415 1.395 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1)C1CC1 ZINC000289490535 444157582 /nfs/dbraw/zinc/15/75/82/444157582.db2.gz JIMDSUITDUKQDT-HUUCEWRRSA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1)C1CC1 ZINC000289490535 444157586 /nfs/dbraw/zinc/15/75/86/444157586.db2.gz JIMDSUITDUKQDT-HUUCEWRRSA-N 2 2 343.265 1.527 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+](CCCO)Cc1cccc(Cl)c1)C1CC1 ZINC000289379566 444124443 /nfs/dbraw/zinc/12/44/43/444124443.db2.gz PJKVGYOOTQIRMF-KRWDZBQOSA-N 2 2 326.868 1.980 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+](CCCO)Cc1cccc(Cl)c1)C1CC1 ZINC000289379566 444124447 /nfs/dbraw/zinc/12/44/47/444124447.db2.gz PJKVGYOOTQIRMF-KRWDZBQOSA-N 2 2 326.868 1.980 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](CCCO)Cc1cccc(Cl)c1)C1CC1 ZINC000289379566 444124451 /nfs/dbraw/zinc/12/44/51/444124451.db2.gz PJKVGYOOTQIRMF-KRWDZBQOSA-N 2 2 326.868 1.980 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](CCCO)Cc1cccc(Cl)c1)C1CC1 ZINC000289379566 444124455 /nfs/dbraw/zinc/12/44/55/444124455.db2.gz PJKVGYOOTQIRMF-KRWDZBQOSA-N 2 2 326.868 1.980 20 0 EDADLP C[C@H](C(=O)N(C)C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285838024 444125053 /nfs/dbraw/zinc/12/50/53/444125053.db2.gz HMMIBWZPHYUAJR-IEBWSBKVSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H](C(=O)N(C)C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285838024 444125059 /nfs/dbraw/zinc/12/50/59/444125059.db2.gz HMMIBWZPHYUAJR-IEBWSBKVSA-N 2 2 344.503 1.355 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc(N)c2ccccc2n1 ZINC000299729633 444127332 /nfs/dbraw/zinc/12/73/32/444127332.db2.gz WJDVRENHJRCKBQ-UHFFFAOYSA-N 2 2 328.464 1.281 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc(N)c2ccccc2n1 ZINC000299729633 444127336 /nfs/dbraw/zinc/12/73/36/444127336.db2.gz WJDVRENHJRCKBQ-UHFFFAOYSA-N 2 2 328.464 1.281 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000282253445 444128359 /nfs/dbraw/zinc/12/83/59/444128359.db2.gz QNJCKZXJLWQJRX-OALUTQOASA-N 2 2 348.487 1.779 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000282253445 444128366 /nfs/dbraw/zinc/12/83/66/444128366.db2.gz QNJCKZXJLWQJRX-OALUTQOASA-N 2 2 348.487 1.779 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000289848569 444210988 /nfs/dbraw/zinc/21/09/88/444210988.db2.gz FQEZZWMAZGTMCO-CEXWTWQISA-N 2 2 345.487 1.873 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000301682436 444185039 /nfs/dbraw/zinc/18/50/39/444185039.db2.gz VSKBDGBJBUGZCE-IRXDYDNUSA-N 2 2 341.411 1.931 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000301682436 444185047 /nfs/dbraw/zinc/18/50/47/444185047.db2.gz VSKBDGBJBUGZCE-IRXDYDNUSA-N 2 2 341.411 1.931 20 0 EDADLP C[N@H+](CCO)C1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301905960 444195972 /nfs/dbraw/zinc/19/59/72/444195972.db2.gz YVZHBUZBMQMZEV-UHFFFAOYSA-N 2 2 332.452 1.474 20 0 EDADLP C[N@@H+](CCO)C1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301905960 444195974 /nfs/dbraw/zinc/19/59/74/444195974.db2.gz YVZHBUZBMQMZEV-UHFFFAOYSA-N 2 2 332.452 1.474 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[C@@H]1[NH3+] ZINC000576373198 321561395 /nfs/dbraw/zinc/56/13/95/321561395.db2.gz MHKFMVOEJZLIBE-HOCLYGCPSA-N 2 2 331.464 1.951 20 0 EDADLP Cc1nc(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c2c([nH+]1)CCCC2 ZINC000302052358 444202085 /nfs/dbraw/zinc/20/20/85/444202085.db2.gz OSYSVHDVFJNIBD-KRWDZBQOSA-N 2 2 343.475 1.407 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n(C)n1 ZINC000576927258 321607621 /nfs/dbraw/zinc/60/76/21/321607621.db2.gz MMLGIYWEIMYJKS-MRXNPFEDSA-N 2 2 327.432 1.846 20 0 EDADLP Cc1cc(CNC(=O)NCC[NH+]2CCOCC2)cc(N2CCCC2)[nH+]1 ZINC000290717869 444314648 /nfs/dbraw/zinc/31/46/48/444314648.db2.gz URCJCYSLEVECNB-UHFFFAOYSA-N 2 2 347.463 1.122 20 0 EDADLP CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000305845091 444283441 /nfs/dbraw/zinc/28/34/41/444283441.db2.gz SKDWORKBZAWDSI-DOTOQJQBSA-N 2 2 340.512 1.205 20 0 EDADLP Cc1cc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc(N2CCCC2)[nH+]1 ZINC000290797610 444324430 /nfs/dbraw/zinc/32/44/30/444324430.db2.gz OTFVROWGTQCQTL-MRXNPFEDSA-N 2 2 347.463 1.120 20 0 EDADLP Cc1cc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc(N2CCCC2)[nH+]1 ZINC000290797610 444324431 /nfs/dbraw/zinc/32/44/31/444324431.db2.gz OTFVROWGTQCQTL-MRXNPFEDSA-N 2 2 347.463 1.120 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)NCC1CC1 ZINC000310419657 444291664 /nfs/dbraw/zinc/29/16/64/444291664.db2.gz QIWKAHRNUFAYEA-RTBURBONSA-N 2 2 327.472 1.967 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)NCC1CC1 ZINC000310419657 444291667 /nfs/dbraw/zinc/29/16/67/444291667.db2.gz QIWKAHRNUFAYEA-RTBURBONSA-N 2 2 327.472 1.967 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)NCC1CC1 ZINC000310419657 444291670 /nfs/dbraw/zinc/29/16/70/444291670.db2.gz QIWKAHRNUFAYEA-RTBURBONSA-N 2 2 327.472 1.967 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)NCC1CC1 ZINC000310419657 444291674 /nfs/dbraw/zinc/29/16/74/444291674.db2.gz QIWKAHRNUFAYEA-RTBURBONSA-N 2 2 327.472 1.967 20 0 EDADLP [NH3+]CCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000324901857 444359698 /nfs/dbraw/zinc/35/96/98/444359698.db2.gz VLILSKJZHWFPOP-UHFFFAOYSA-N 2 2 348.472 1.280 20 0 EDADLP [NH3+]CCC[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000324901857 444359701 /nfs/dbraw/zinc/35/97/01/444359701.db2.gz VLILSKJZHWFPOP-UHFFFAOYSA-N 2 2 348.472 1.280 20 0 EDADLP CC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH+]1CCOCC1 ZINC000328810177 444360511 /nfs/dbraw/zinc/36/05/11/444360511.db2.gz MJKFRHYRDZACFQ-RHSMWYFYSA-N 2 2 328.416 1.517 20 0 EDADLP [NH3+]CCCOC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000325677216 444367676 /nfs/dbraw/zinc/36/76/76/444367676.db2.gz KXBAQPJLNCSAJU-UHFFFAOYSA-N 2 2 330.432 1.990 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[NH+]1CCN(C)CC1 ZINC000326442130 444374559 /nfs/dbraw/zinc/37/45/59/444374559.db2.gz WUEZMBNOWAAMKK-QZTJIDSGSA-N 2 2 338.540 1.672 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000298005175 444384648 /nfs/dbraw/zinc/38/46/48/444384648.db2.gz KLUMREVWRTVYBX-MRXNPFEDSA-N 2 2 349.479 1.064 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000298005175 444384653 /nfs/dbraw/zinc/38/46/53/444384653.db2.gz KLUMREVWRTVYBX-MRXNPFEDSA-N 2 2 349.479 1.064 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337767937 444396367 /nfs/dbraw/zinc/39/63/67/444396367.db2.gz UFLIROUZEIGPCE-QFBILLFUSA-N 2 2 333.476 1.941 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337767937 444396370 /nfs/dbraw/zinc/39/63/70/444396370.db2.gz UFLIROUZEIGPCE-QFBILLFUSA-N 2 2 333.476 1.941 20 0 EDADLP COC[C@H]1CCN(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000337945825 444467289 /nfs/dbraw/zinc/46/72/89/444467289.db2.gz NUDIRSKUXJHZCW-HNNXBMFYSA-N 2 2 326.485 1.033 20 0 EDADLP COC[C@H]1CCN(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000337945825 444467291 /nfs/dbraw/zinc/46/72/91/444467291.db2.gz NUDIRSKUXJHZCW-HNNXBMFYSA-N 2 2 326.485 1.033 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)ccn12 ZINC000580463232 322055256 /nfs/dbraw/zinc/05/52/56/322055256.db2.gz IZOMNBBKGQQMTA-BRWVUGGUSA-N 2 2 342.443 1.966 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000580554273 322066633 /nfs/dbraw/zinc/06/66/33/322066633.db2.gz SVKGEEBPYDSQRH-HBFSDRIKSA-N 2 2 347.503 1.277 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000580554273 322066636 /nfs/dbraw/zinc/06/66/36/322066636.db2.gz SVKGEEBPYDSQRH-HBFSDRIKSA-N 2 2 347.503 1.277 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cscn2)[C@@H](C)C1 ZINC000580717652 322087135 /nfs/dbraw/zinc/08/71/35/322087135.db2.gz HFVXNJLZBDPKTL-KCQAQPDRSA-N 2 2 340.493 1.396 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cscn2)[C@@H](C)C1 ZINC000580717652 322087136 /nfs/dbraw/zinc/08/71/36/322087136.db2.gz HFVXNJLZBDPKTL-KCQAQPDRSA-N 2 2 340.493 1.396 20 0 EDADLP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580841392 322103126 /nfs/dbraw/zinc/10/31/26/322103126.db2.gz XVIOQRBWEMTDKQ-QPIRBTGLSA-N 2 2 343.471 1.617 20 0 EDADLP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580841392 322103129 /nfs/dbraw/zinc/10/31/29/322103129.db2.gz XVIOQRBWEMTDKQ-QPIRBTGLSA-N 2 2 343.471 1.617 20 0 EDADLP [NH3+]Cc1nc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)no1 ZINC000581192721 322147506 /nfs/dbraw/zinc/14/75/06/322147506.db2.gz ZBXRJYGBGQXZBC-SJKOYZFVSA-N 2 2 344.419 1.418 20 0 EDADLP [NH3+]Cc1nc(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)no1 ZINC000581192721 322147508 /nfs/dbraw/zinc/14/75/08/322147508.db2.gz ZBXRJYGBGQXZBC-SJKOYZFVSA-N 2 2 344.419 1.418 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCC[N@@H+]3CCCC[C@@H]3C)nc[nH+]2)C1 ZINC000581297289 322160240 /nfs/dbraw/zinc/16/02/40/322160240.db2.gz ICDNCESOFPJTJK-JYJNAYRXSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCC[N@H+]3CCCC[C@@H]3C)nc[nH+]2)C1 ZINC000581297289 322160242 /nfs/dbraw/zinc/16/02/42/322160242.db2.gz ICDNCESOFPJTJK-JYJNAYRXSA-N 2 2 333.480 1.970 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCC[NH2+]CC2)[nH+]cc1Br ZINC000332288738 444508708 /nfs/dbraw/zinc/50/87/08/444508708.db2.gz JFICFLSANOCNTH-UHFFFAOYSA-N 2 2 342.241 1.737 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332317407 444510098 /nfs/dbraw/zinc/51/00/98/444510098.db2.gz NVIJXXBEURBWAI-AWEZNQCLSA-N 2 2 349.479 1.206 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332317407 444510101 /nfs/dbraw/zinc/51/01/01/444510101.db2.gz NVIJXXBEURBWAI-AWEZNQCLSA-N 2 2 349.479 1.206 20 0 EDADLP Cc1cnn(CC[N@@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000342138404 444528160 /nfs/dbraw/zinc/52/81/60/444528160.db2.gz VPZAYXZAFZCXQO-AEFFLSMTSA-N 2 2 330.480 1.940 20 0 EDADLP Cc1cnn(CC[N@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000342138404 444528164 /nfs/dbraw/zinc/52/81/64/444528164.db2.gz VPZAYXZAFZCXQO-AEFFLSMTSA-N 2 2 330.480 1.940 20 0 EDADLP Cc1cnn(CC[NH+](C)C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000342138404 444528169 /nfs/dbraw/zinc/52/81/69/444528169.db2.gz VPZAYXZAFZCXQO-AEFFLSMTSA-N 2 2 330.480 1.940 20 0 EDADLP Cc1cnn(CC[NH+](C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000342138404 444528172 /nfs/dbraw/zinc/52/81/72/444528172.db2.gz VPZAYXZAFZCXQO-AEFFLSMTSA-N 2 2 330.480 1.940 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000332831837 444568052 /nfs/dbraw/zinc/56/80/52/444568052.db2.gz FJQRBXLBXDCABW-ZBFHGGJFSA-N 2 2 331.464 1.845 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329413700 444570164 /nfs/dbraw/zinc/57/01/64/444570164.db2.gz DUHQDEGYZXPMCP-MRXNPFEDSA-N 2 2 332.448 1.759 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329413700 444570169 /nfs/dbraw/zinc/57/01/69/444570169.db2.gz DUHQDEGYZXPMCP-MRXNPFEDSA-N 2 2 332.448 1.759 20 0 EDADLP NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329423014 444573849 /nfs/dbraw/zinc/57/38/49/444573849.db2.gz FSRPGZYJAHIWIU-UKRRQHHQSA-N 2 2 332.404 1.309 20 0 EDADLP NC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329423014 444573852 /nfs/dbraw/zinc/57/38/52/444573852.db2.gz FSRPGZYJAHIWIU-UKRRQHHQSA-N 2 2 332.404 1.309 20 0 EDADLP C[C@H]1CCC[C@](CNC(=O)C(C)(C)[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000338163821 444543563 /nfs/dbraw/zinc/54/35/63/444543563.db2.gz ROXOTKXHEPMWKM-YJBOKZPZSA-N 2 2 325.497 1.724 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000343855746 444630798 /nfs/dbraw/zinc/63/07/98/444630798.db2.gz DTZSRGSAUYCKKY-HNNXBMFYSA-N 2 2 338.402 1.407 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338254699 444590492 /nfs/dbraw/zinc/59/04/92/444590492.db2.gz NHJCISXPTIYBJY-INIZCTEOSA-N 2 2 341.496 1.495 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338254699 444590498 /nfs/dbraw/zinc/59/04/98/444590498.db2.gz NHJCISXPTIYBJY-INIZCTEOSA-N 2 2 341.496 1.495 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@H](O)C(C)(C)C ZINC000343800389 444600012 /nfs/dbraw/zinc/60/00/12/444600012.db2.gz IBOAAZSFYIEJCI-KKUMJFAQSA-N 2 2 326.460 1.671 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@H](O)C(C)(C)C ZINC000343800389 444600016 /nfs/dbraw/zinc/60/00/16/444600016.db2.gz IBOAAZSFYIEJCI-KKUMJFAQSA-N 2 2 326.460 1.671 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1C ZINC000340966503 444603843 /nfs/dbraw/zinc/60/38/43/444603843.db2.gz VDYGNPLYOGFXSS-GDBMZVCRSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000340966503 444603848 /nfs/dbraw/zinc/60/38/48/444603848.db2.gz VDYGNPLYOGFXSS-GDBMZVCRSA-N 2 2 331.464 1.964 20 0 EDADLP CCCC[N@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342274814 444606952 /nfs/dbraw/zinc/60/69/52/444606952.db2.gz AOVPRGSEURCXMA-UHFFFAOYSA-N 2 2 347.503 1.815 20 0 EDADLP CCCC[N@@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342274814 444606954 /nfs/dbraw/zinc/60/69/54/444606954.db2.gz AOVPRGSEURCXMA-UHFFFAOYSA-N 2 2 347.503 1.815 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338358177 444654163 /nfs/dbraw/zinc/65/41/63/444654163.db2.gz VZNOFRXBARHPFM-UHFFFAOYSA-N 3 2 335.496 1.322 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338358177 444654167 /nfs/dbraw/zinc/65/41/67/444654167.db2.gz VZNOFRXBARHPFM-UHFFFAOYSA-N 3 2 335.496 1.322 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333908737 444715710 /nfs/dbraw/zinc/71/57/10/444715710.db2.gz KQTQVTPOLWEOFO-YESZJQIVSA-N 2 2 343.475 1.869 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333927583 444720775 /nfs/dbraw/zinc/72/07/75/444720775.db2.gz WOBSELNVCIVJTD-GJZGRUSLSA-N 2 2 327.432 1.596 20 0 EDADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[NH+]1CCOC[C@@H]1C)CC2 ZINC000341137473 444692845 /nfs/dbraw/zinc/69/28/45/444692845.db2.gz ZVVBPJQLCBMJQB-BBWFWOEESA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[NH+]1CCOC[C@@H]1C)CC2 ZINC000341137473 444692850 /nfs/dbraw/zinc/69/28/50/444692850.db2.gz ZVVBPJQLCBMJQB-BBWFWOEESA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)CC2 ZINC000341137473 444692855 /nfs/dbraw/zinc/69/28/55/444692855.db2.gz ZVVBPJQLCBMJQB-BBWFWOEESA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)CC2 ZINC000341137473 444692859 /nfs/dbraw/zinc/69/28/59/444692859.db2.gz ZVVBPJQLCBMJQB-BBWFWOEESA-N 2 2 338.496 1.364 20 0 EDADLP COC(=O)COc1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000341140020 444693635 /nfs/dbraw/zinc/69/36/35/444693635.db2.gz CXMJNCMLGXJJGP-UHFFFAOYSA-N 2 2 344.415 1.279 20 0 EDADLP CC[C@H](C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[NH+](CC)CC ZINC000341330211 444781752 /nfs/dbraw/zinc/78/17/52/444781752.db2.gz LKWQEQYQISTFBB-LSDHHAIUSA-N 2 2 349.479 1.148 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC[NH2+]CC3(F)F)sc2C1 ZINC000342645040 444793707 /nfs/dbraw/zinc/79/37/07/444793707.db2.gz FIBBFPMMTVZYPT-VIFPVBQESA-N 2 2 330.404 1.704 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CC[NH2+]CC3(F)F)sc2C1 ZINC000342645040 444793710 /nfs/dbraw/zinc/79/37/10/444793710.db2.gz FIBBFPMMTVZYPT-VIFPVBQESA-N 2 2 330.404 1.704 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000342659604 444801296 /nfs/dbraw/zinc/80/12/96/444801296.db2.gz FGFPRSNKJDETMI-UHFFFAOYSA-N 2 2 340.512 1.166 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000342659604 444801298 /nfs/dbraw/zinc/80/12/98/444801298.db2.gz FGFPRSNKJDETMI-UHFFFAOYSA-N 2 2 340.512 1.166 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000342659604 444801302 /nfs/dbraw/zinc/80/13/02/444801302.db2.gz FGFPRSNKJDETMI-UHFFFAOYSA-N 2 2 340.512 1.166 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000342659604 444801304 /nfs/dbraw/zinc/80/13/04/444801304.db2.gz FGFPRSNKJDETMI-UHFFFAOYSA-N 2 2 340.512 1.166 20 0 EDADLP c1nc(N2CC[C@H](C[NH+]3CCCC3)C2)cc(N2CCSCC2)[nH+]1 ZINC000338671487 444802013 /nfs/dbraw/zinc/80/20/13/444802013.db2.gz CUUQEORQEFSBJW-OAHLLOKOSA-N 2 2 333.505 1.952 20 0 EDADLP c1nc(N2CCSCC2)cc(N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000338671487 444802020 /nfs/dbraw/zinc/80/20/20/444802020.db2.gz CUUQEORQEFSBJW-OAHLLOKOSA-N 2 2 333.505 1.952 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342698805 444821818 /nfs/dbraw/zinc/82/18/18/444821818.db2.gz HXLNNIAORDNVOU-VIFPVBQESA-N 2 2 340.296 1.649 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)c1c(F)cccc1F ZINC000342707434 444826621 /nfs/dbraw/zinc/82/66/21/444826621.db2.gz MPRGNCOOOOFEEH-ZWNOBZJWSA-N 2 2 347.356 1.929 20 0 EDADLP C[N@H+](CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F)Cc1ccc(F)cc1 ZINC000342763952 444853574 /nfs/dbraw/zinc/85/35/74/444853574.db2.gz FMMAQLODAUUKDL-AWEZNQCLSA-N 2 2 329.366 1.619 20 0 EDADLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F)Cc1ccc(F)cc1 ZINC000342763952 444853579 /nfs/dbraw/zinc/85/35/79/444853579.db2.gz FMMAQLODAUUKDL-AWEZNQCLSA-N 2 2 329.366 1.619 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000341579383 444904901 /nfs/dbraw/zinc/90/49/01/444904901.db2.gz FAQWPPYUKOKENV-BRWVUGGUSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000341579383 444904905 /nfs/dbraw/zinc/90/49/05/444904905.db2.gz FAQWPPYUKOKENV-BRWVUGGUSA-N 2 2 338.496 1.221 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000342981849 444987928 /nfs/dbraw/zinc/98/79/28/444987928.db2.gz ULTGKCLZILMCJZ-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000342981849 444987930 /nfs/dbraw/zinc/98/79/30/444987930.db2.gz ULTGKCLZILMCJZ-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000337453852 445088533 /nfs/dbraw/zinc/08/85/33/445088533.db2.gz GUHDHXIBADMEFQ-APWZRJJASA-N 2 2 345.487 1.913 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000341856452 445037082 /nfs/dbraw/zinc/03/70/82/445037082.db2.gz WNAAMBGQLCIRDD-UHFFFAOYSA-N 2 2 333.411 1.962 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000343079130 445046710 /nfs/dbraw/zinc/04/67/10/445046710.db2.gz OSVXNUXXLQMCJI-ICSRJNTNSA-N 3 2 330.520 1.734 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000343079130 445046714 /nfs/dbraw/zinc/04/67/14/445046714.db2.gz OSVXNUXXLQMCJI-ICSRJNTNSA-N 3 2 330.520 1.734 20 0 EDADLP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000337568037 445141566 /nfs/dbraw/zinc/14/15/66/445141566.db2.gz ZOMQPNMQOVWULK-HZPDHXFCSA-N 2 2 347.450 1.533 20 0 EDADLP FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000337568037 445141570 /nfs/dbraw/zinc/14/15/70/445141570.db2.gz ZOMQPNMQOVWULK-HZPDHXFCSA-N 2 2 347.450 1.533 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)CC2)cc[nH+]1 ZINC000342036589 445136585 /nfs/dbraw/zinc/13/65/85/445136585.db2.gz FJDRGCGQBANHCE-LSDHHAIUSA-N 2 2 332.452 1.099 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000343168336 445110636 /nfs/dbraw/zinc/11/06/36/445110636.db2.gz YSMXNZILQSCEHA-QGZVFWFLSA-N 2 2 341.459 1.206 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339261720 445122051 /nfs/dbraw/zinc/12/20/51/445122051.db2.gz CEEOJTIUDJFTNX-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000339261720 445122053 /nfs/dbraw/zinc/12/20/53/445122053.db2.gz CEEOJTIUDJFTNX-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000339261720 445122056 /nfs/dbraw/zinc/12/20/56/445122056.db2.gz CEEOJTIUDJFTNX-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000339261720 445122059 /nfs/dbraw/zinc/12/20/59/445122059.db2.gz CEEOJTIUDJFTNX-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP CO[C@@H]1CCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000342019658 445127467 /nfs/dbraw/zinc/12/74/67/445127467.db2.gz ZHPRGVJJGDWKBT-NVXWUHKLSA-N 2 2 340.512 1.469 20 0 EDADLP CO[C@@H]1CCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000342019658 445127471 /nfs/dbraw/zinc/12/74/71/445127471.db2.gz ZHPRGVJJGDWKBT-NVXWUHKLSA-N 2 2 340.512 1.469 20 0 EDADLP CN(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)c1c[nH+]cn1C ZINC000343272329 445171964 /nfs/dbraw/zinc/17/19/64/445171964.db2.gz TXQQKYIODYRUCH-QGZVFWFLSA-N 2 2 335.496 1.746 20 0 EDADLP CN(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)c1c[nH+]cn1C ZINC000343272329 445171967 /nfs/dbraw/zinc/17/19/67/445171967.db2.gz TXQQKYIODYRUCH-QGZVFWFLSA-N 2 2 335.496 1.746 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000345016235 445156781 /nfs/dbraw/zinc/15/67/81/445156781.db2.gz JTFRGFVLGIRCHA-GDBMZVCRSA-N 2 2 348.410 2.373 20 0 EDADLP C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCSCC1 ZINC000343388018 445213915 /nfs/dbraw/zinc/21/39/15/445213915.db2.gz NSCKJLVTVQRFGC-CQSZACIVSA-N 2 2 330.457 1.926 20 0 EDADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000343429129 445221260 /nfs/dbraw/zinc/22/12/60/445221260.db2.gz FOMRJIXCJWXMIZ-QAPCUYQASA-N 2 2 330.476 1.114 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(COC)no2)C1 ZINC000343543812 445241276 /nfs/dbraw/zinc/24/12/76/445241276.db2.gz WMYXKFIUYVAKPF-ZIAGYGMSSA-N 2 2 326.441 1.710 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(COC)no2)C1 ZINC000343543812 445241277 /nfs/dbraw/zinc/24/12/77/445241277.db2.gz WMYXKFIUYVAKPF-ZIAGYGMSSA-N 2 2 326.441 1.710 20 0 EDADLP CNC(=O)CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348327106 445257549 /nfs/dbraw/zinc/25/75/49/445257549.db2.gz ZYOJMWVYPSPESY-CYBMUJFWSA-N 2 2 343.431 1.862 20 0 EDADLP CNC(=O)CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348327106 445257552 /nfs/dbraw/zinc/25/75/52/445257552.db2.gz ZYOJMWVYPSPESY-CYBMUJFWSA-N 2 2 343.431 1.862 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCC[C@@H](C)C1 ZINC000343619834 445266583 /nfs/dbraw/zinc/26/65/83/445266583.db2.gz KOAVNDJBIFIGTD-IAGOWNOFSA-N 2 2 325.497 1.535 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCC[C@@H](C)C1 ZINC000343619834 445266585 /nfs/dbraw/zinc/26/65/85/445266585.db2.gz KOAVNDJBIFIGTD-IAGOWNOFSA-N 2 2 325.497 1.535 20 0 EDADLP Cc1oncc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348175208 445304883 /nfs/dbraw/zinc/30/48/83/445304883.db2.gz XADIOWIWCWTFJM-GJZGRUSLSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1oncc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000348175208 445304884 /nfs/dbraw/zinc/30/48/84/445304884.db2.gz XADIOWIWCWTFJM-GJZGRUSLSA-N 2 2 348.426 1.888 20 0 EDADLP Cn1cc(CC[N@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000348209061 445317100 /nfs/dbraw/zinc/31/71/00/445317100.db2.gz ILXZWVMCKBZWGT-HZPDHXFCSA-N 2 2 334.443 1.241 20 0 EDADLP Cn1cc(CC[N@@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000348209061 445317103 /nfs/dbraw/zinc/31/71/03/445317103.db2.gz ILXZWVMCKBZWGT-HZPDHXFCSA-N 2 2 334.443 1.241 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCOCC3(CCOCC3)C2)s1 ZINC000348224567 445321287 /nfs/dbraw/zinc/32/12/87/445321287.db2.gz VXWXDORZQJHDOG-UHFFFAOYSA-N 2 2 325.478 1.834 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCOCC3(CCOCC3)C2)s1 ZINC000348224567 445321291 /nfs/dbraw/zinc/32/12/91/445321291.db2.gz VXWXDORZQJHDOG-UHFFFAOYSA-N 2 2 325.478 1.834 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348164346 445297586 /nfs/dbraw/zinc/29/75/86/445297586.db2.gz XPFVVBVOUMLGMV-OTWHNJEPSA-N 2 2 345.487 1.782 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348164346 445297589 /nfs/dbraw/zinc/29/75/89/445297589.db2.gz XPFVVBVOUMLGMV-OTWHNJEPSA-N 2 2 345.487 1.782 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH+]1CCOCC1 ZINC000354577512 445301022 /nfs/dbraw/zinc/30/10/22/445301022.db2.gz NCTWFYHBTXPLEI-OWCLPIDISA-N 2 2 332.448 1.330 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000351850811 445343097 /nfs/dbraw/zinc/34/30/97/445343097.db2.gz JJMOYKAACLHIES-PKOBYXMFSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000351850811 445343098 /nfs/dbraw/zinc/34/30/98/445343098.db2.gz JJMOYKAACLHIES-PKOBYXMFSA-N 3 2 344.503 1.308 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000359778275 445423236 /nfs/dbraw/zinc/42/32/36/445423236.db2.gz NDQYAUVXZFICQG-NVXWUHKLSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000359778275 445423243 /nfs/dbraw/zinc/42/32/43/445423243.db2.gz NDQYAUVXZFICQG-NVXWUHKLSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000359778275 445423247 /nfs/dbraw/zinc/42/32/47/445423247.db2.gz NDQYAUVXZFICQG-NVXWUHKLSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000359778275 445423250 /nfs/dbraw/zinc/42/32/50/445423250.db2.gz NDQYAUVXZFICQG-NVXWUHKLSA-N 2 2 325.497 1.724 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000357094459 445425314 /nfs/dbraw/zinc/42/53/14/445425314.db2.gz ZUQBBWISSSPGFK-IMJJTQAJSA-N 2 2 349.450 1.723 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000357094459 445425319 /nfs/dbraw/zinc/42/53/19/445425319.db2.gz ZUQBBWISSSPGFK-IMJJTQAJSA-N 2 2 349.450 1.723 20 0 EDADLP CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357094502 445425553 /nfs/dbraw/zinc/42/55/53/445425553.db2.gz YMPCOIXVODTWLF-MRXNPFEDSA-N 2 2 349.475 1.136 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)[nH]1 ZINC000354854448 445427065 /nfs/dbraw/zinc/42/70/65/445427065.db2.gz PTUWSBJMPFREGS-OCCSQVGLSA-N 2 2 349.410 1.237 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000357099811 445428542 /nfs/dbraw/zinc/42/85/42/445428542.db2.gz DLPWQCGEBVFJHQ-UHFFFAOYSA-N 2 2 346.258 1.727 20 0 EDADLP C[C@H](C[NH2+][C@H](c1nccn1C)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000357023472 445380480 /nfs/dbraw/zinc/38/04/80/445380480.db2.gz IUINUKJGLYOMHA-QAPCUYQASA-N 2 2 345.466 1.874 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000357035080 445386373 /nfs/dbraw/zinc/38/63/73/445386373.db2.gz VMTILICQFIHFGZ-UHFFFAOYSA-N 2 2 346.258 1.727 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359714749 445388639 /nfs/dbraw/zinc/38/86/39/445388639.db2.gz BMWVJPZESGRJMZ-UHFFFAOYSA-N 2 2 346.435 1.097 20 0 EDADLP CCN(C)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000359720677 445391903 /nfs/dbraw/zinc/39/19/03/445391903.db2.gz MMTRFKLCAFDECX-QGZVFWFLSA-N 2 2 347.507 1.570 20 0 EDADLP CCN(C)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cn1 ZINC000359720677 445391909 /nfs/dbraw/zinc/39/19/09/445391909.db2.gz MMTRFKLCAFDECX-QGZVFWFLSA-N 2 2 347.507 1.570 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362550995 445435510 /nfs/dbraw/zinc/43/55/10/445435510.db2.gz GWXRLSTXQWGLRC-SECBINFHSA-N 2 2 342.325 1.175 20 0 EDADLP NC(=O)C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352030677 445449982 /nfs/dbraw/zinc/44/99/82/445449982.db2.gz WYIRDASXNBJXPG-IBGZPJMESA-N 2 2 344.503 1.929 20 0 EDADLP NC(=O)C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352030677 445449987 /nfs/dbraw/zinc/44/99/87/445449987.db2.gz WYIRDASXNBJXPG-IBGZPJMESA-N 2 2 344.503 1.929 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357141909 445451447 /nfs/dbraw/zinc/45/14/47/445451447.db2.gz GNVPALXERVHKOL-RYUDHWBXSA-N 2 2 332.370 1.711 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357141909 445451450 /nfs/dbraw/zinc/45/14/50/445451450.db2.gz GNVPALXERVHKOL-RYUDHWBXSA-N 2 2 332.370 1.711 20 0 EDADLP CC(C)(CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000357162615 445462223 /nfs/dbraw/zinc/46/22/23/445462223.db2.gz IUFHUMFIKUNVPZ-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000357162615 445462228 /nfs/dbraw/zinc/46/22/28/445462228.db2.gz IUFHUMFIKUNVPZ-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP COc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000362709298 445511520 /nfs/dbraw/zinc/51/15/20/445511520.db2.gz DNERBWYQFBYDHP-QGZVFWFLSA-N 2 2 345.487 1.913 20 0 EDADLP COc1ccc(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000362709298 445511522 /nfs/dbraw/zinc/51/15/22/445511522.db2.gz DNERBWYQFBYDHP-QGZVFWFLSA-N 2 2 345.487 1.913 20 0 EDADLP c1cc2c(cc1CC[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000360019446 445530952 /nfs/dbraw/zinc/53/09/52/445530952.db2.gz YOYSAYPGAHRPCI-QGZVFWFLSA-N 2 2 332.444 1.654 20 0 EDADLP c1cc2c(cc1CC[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000360019446 445530954 /nfs/dbraw/zinc/53/09/54/445530954.db2.gz YOYSAYPGAHRPCI-QGZVFWFLSA-N 2 2 332.444 1.654 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(OC)c1 ZINC000362681771 445497185 /nfs/dbraw/zinc/49/71/85/445497185.db2.gz SMULBPHEPFIAHK-OAHLLOKOSA-N 2 2 333.432 1.100 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c(OC)c1 ZINC000362681771 445497186 /nfs/dbraw/zinc/49/71/86/445497186.db2.gz SMULBPHEPFIAHK-OAHLLOKOSA-N 2 2 333.432 1.100 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000357241227 445501603 /nfs/dbraw/zinc/50/16/03/445501603.db2.gz NAUYYODNVZCXHI-HIFRSBDPSA-N 2 2 337.489 1.435 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000358522597 445631857 /nfs/dbraw/zinc/63/18/57/445631857.db2.gz RKQYAUCKCVIERO-NXHRZFHOSA-N 2 2 348.491 1.650 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000358522597 445631861 /nfs/dbraw/zinc/63/18/61/445631861.db2.gz RKQYAUCKCVIERO-NXHRZFHOSA-N 2 2 348.491 1.650 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)CCn2c(C)[nH+]c3ccccc32)C1 ZINC000353429346 445597352 /nfs/dbraw/zinc/59/73/52/445597352.db2.gz FWRKEFXIHHPTIC-HNNXBMFYSA-N 2 2 330.432 1.572 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)CCn2c(C)[nH+]c3ccccc32)C1 ZINC000353429346 445597355 /nfs/dbraw/zinc/59/73/55/445597355.db2.gz FWRKEFXIHHPTIC-HNNXBMFYSA-N 2 2 330.432 1.572 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000363020234 445651574 /nfs/dbraw/zinc/65/15/74/445651574.db2.gz FOVFFVGJHOOJRO-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000363020234 445651575 /nfs/dbraw/zinc/65/15/75/445651575.db2.gz FOVFFVGJHOOJRO-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000363020234 445651578 /nfs/dbraw/zinc/65/15/78/445651578.db2.gz FOVFFVGJHOOJRO-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000349749242 445665335 /nfs/dbraw/zinc/66/53/35/445665335.db2.gz SQBKMRFTHUQWOJ-IAGOWNOFSA-N 2 2 342.528 1.859 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)([NH+](C)C)C1 ZINC000356185598 445667481 /nfs/dbraw/zinc/66/74/81/445667481.db2.gz FDTRYRVVPFDRCH-SOLBZPMBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)([NH+](C)C)C1 ZINC000356185598 445667484 /nfs/dbraw/zinc/66/74/84/445667484.db2.gz FDTRYRVVPFDRCH-SOLBZPMBSA-N 2 2 340.512 1.517 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)CC(C)C ZINC000356287678 445718997 /nfs/dbraw/zinc/71/89/97/445718997.db2.gz ZDHMLZQEBMWKJW-IRXDYDNUSA-N 2 2 342.528 1.763 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)CC(C)C ZINC000356287678 445719002 /nfs/dbraw/zinc/71/90/02/445719002.db2.gz ZDHMLZQEBMWKJW-IRXDYDNUSA-N 2 2 342.528 1.763 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000356232292 445689510 /nfs/dbraw/zinc/68/95/10/445689510.db2.gz VCZIICPTGOYYON-BRWVUGGUSA-N 2 2 340.512 1.326 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC([N@H+](C)CCO)CC3)cc2sc1=O ZINC000353644597 445690178 /nfs/dbraw/zinc/69/01/78/445690178.db2.gz ADXWAQAKCHELLS-UHFFFAOYSA-N 2 2 335.473 1.489 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC([N@@H+](C)CCO)CC3)cc2sc1=O ZINC000353644597 445690181 /nfs/dbraw/zinc/69/01/81/445690181.db2.gz ADXWAQAKCHELLS-UHFFFAOYSA-N 2 2 335.473 1.489 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H](F)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000358658715 445699262 /nfs/dbraw/zinc/69/92/62/445699262.db2.gz LWQWEKOVQMNGOD-RBSFLKMASA-N 2 2 326.460 1.687 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H](F)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000358658715 445699266 /nfs/dbraw/zinc/69/92/66/445699266.db2.gz LWQWEKOVQMNGOD-RBSFLKMASA-N 2 2 326.460 1.687 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000353727093 445727231 /nfs/dbraw/zinc/72/72/31/445727231.db2.gz HQDGSWUAGUWJIP-LSDHHAIUSA-N 2 2 339.386 1.334 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000353727093 445727234 /nfs/dbraw/zinc/72/72/34/445727234.db2.gz HQDGSWUAGUWJIP-LSDHHAIUSA-N 2 2 339.386 1.334 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000356342618 445743341 /nfs/dbraw/zinc/74/33/41/445743341.db2.gz ARNSFAQHTJJVBA-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000356342618 445743343 /nfs/dbraw/zinc/74/33/43/445743343.db2.gz ARNSFAQHTJJVBA-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H](CO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000363347994 445774445 /nfs/dbraw/zinc/77/44/45/445774445.db2.gz MOJSGVWAPPEFIB-INIZCTEOSA-N 2 2 335.448 1.018 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H](CO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000363347994 445774448 /nfs/dbraw/zinc/77/44/48/445774448.db2.gz MOJSGVWAPPEFIB-INIZCTEOSA-N 2 2 335.448 1.018 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353951578 445823965 /nfs/dbraw/zinc/82/39/65/445823965.db2.gz DQQVIIGSQHEXFY-LHCMDFTLSA-N 2 2 334.508 1.142 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353951578 445823968 /nfs/dbraw/zinc/82/39/68/445823968.db2.gz DQQVIIGSQHEXFY-LHCMDFTLSA-N 2 2 334.508 1.142 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353951578 445823972 /nfs/dbraw/zinc/82/39/72/445823972.db2.gz DQQVIIGSQHEXFY-LHCMDFTLSA-N 2 2 334.508 1.142 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353951578 445823974 /nfs/dbraw/zinc/82/39/74/445823974.db2.gz DQQVIIGSQHEXFY-LHCMDFTLSA-N 2 2 334.508 1.142 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)Cn1cc[nH+]c1 ZINC000363354529 445777318 /nfs/dbraw/zinc/77/73/18/445777318.db2.gz BUACQNIBAQTMEX-WBVHZDCISA-N 2 2 327.432 1.695 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)Cn1cc[nH+]c1 ZINC000363354529 445777324 /nfs/dbraw/zinc/77/73/24/445777324.db2.gz BUACQNIBAQTMEX-WBVHZDCISA-N 2 2 327.432 1.695 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000361510049 445795432 /nfs/dbraw/zinc/79/54/32/445795432.db2.gz GAUQPQPKOOCPSH-YESZJQIVSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000361510049 445795435 /nfs/dbraw/zinc/79/54/35/445795435.db2.gz GAUQPQPKOOCPSH-YESZJQIVSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000356463714 445804667 /nfs/dbraw/zinc/80/46/67/445804667.db2.gz WMTIEMYLGIKYJM-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000356463714 445804670 /nfs/dbraw/zinc/80/46/70/445804670.db2.gz WMTIEMYLGIKYJM-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)NCc3ccco3)CC2)CC1 ZINC000363497416 445833101 /nfs/dbraw/zinc/83/31/01/445833101.db2.gz ZBEBMFQJZZDCLB-UHFFFAOYSA-N 2 2 348.491 1.388 20 0 EDADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3nccn3C)CC2)C[C@H](C)O1 ZINC000358862629 445816833 /nfs/dbraw/zinc/81/68/33/445816833.db2.gz AULPSMGIVYYVGJ-HOTGVXAUSA-N 2 2 336.480 1.510 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000354054699 445877500 /nfs/dbraw/zinc/87/75/00/445877500.db2.gz UULCXIVIWFJRAI-HNNXBMFYSA-N 2 2 345.447 1.232 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000354054699 445877502 /nfs/dbraw/zinc/87/75/02/445877502.db2.gz UULCXIVIWFJRAI-HNNXBMFYSA-N 2 2 345.447 1.232 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000363827028 445878556 /nfs/dbraw/zinc/87/85/56/445878556.db2.gz UJKNKSBWYYVAFE-YQQAZPJKSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000363827028 445878561 /nfs/dbraw/zinc/87/85/61/445878561.db2.gz UJKNKSBWYYVAFE-YQQAZPJKSA-N 2 2 338.496 1.221 20 0 EDADLP CCOC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353994665 445844336 /nfs/dbraw/zinc/84/43/36/445844336.db2.gz CPLOHYHTEBCOJD-AJYUKVHDSA-N 2 2 337.508 1.865 20 0 EDADLP CCOC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353994665 445844338 /nfs/dbraw/zinc/84/43/38/445844338.db2.gz CPLOHYHTEBCOJD-AJYUKVHDSA-N 2 2 337.508 1.865 20 0 EDADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353994667 445844396 /nfs/dbraw/zinc/84/43/96/445844396.db2.gz CPLOHYHTEBCOJD-VGUREELVSA-N 2 2 337.508 1.865 20 0 EDADLP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353994667 445844398 /nfs/dbraw/zinc/84/43/98/445844398.db2.gz CPLOHYHTEBCOJD-VGUREELVSA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354018304 445857543 /nfs/dbraw/zinc/85/75/43/445857543.db2.gz FIKUPJJPXBDHJU-HZMVEIRTSA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354018304 445857547 /nfs/dbraw/zinc/85/75/47/445857547.db2.gz FIKUPJJPXBDHJU-HZMVEIRTSA-N 2 2 325.497 1.673 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000358949915 445862152 /nfs/dbraw/zinc/86/21/52/445862152.db2.gz WDMGZEKLERUGCQ-CQSZACIVSA-N 2 2 336.461 1.888 20 0 EDADLP COCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365967139 445932471 /nfs/dbraw/zinc/93/24/71/445932471.db2.gz LLVYSWOELDFHNJ-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP COCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365967139 445932478 /nfs/dbraw/zinc/93/24/78/445932478.db2.gz LLVYSWOELDFHNJ-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000361734824 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1.447 20 0 EDADLP C[NH+]1CCN(c2ccc(CNc3cccc(-n4cc[nH+]c4)n3)cn2)CC1 ZINC000361799616 445956347 /nfs/dbraw/zinc/95/63/47/445956347.db2.gz OAVYAEFPHKNLPJ-UHFFFAOYSA-N 2 2 349.442 2.026 20 0 EDADLP c1nc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc(NCC2CC2)[nH+]1 ZINC000361800766 445957109 /nfs/dbraw/zinc/95/71/09/445957109.db2.gz VXWNZEQMFDIQGS-CVEARBPZSA-N 2 2 331.464 2.211 20 0 EDADLP c1nc(NCC2CC2)cc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)[nH+]1 ZINC000361800766 445957117 /nfs/dbraw/zinc/95/71/17/445957117.db2.gz VXWNZEQMFDIQGS-CVEARBPZSA-N 2 2 331.464 2.211 20 0 EDADLP COCc1nc(C)cc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000364888753 445965495 /nfs/dbraw/zinc/96/54/95/445965495.db2.gz PGEQMZSWQNEPCV-INIZCTEOSA-N 2 2 333.480 1.536 20 0 EDADLP COCc1nc(C)cc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000364888753 445965502 /nfs/dbraw/zinc/96/55/02/445965502.db2.gz PGEQMZSWQNEPCV-INIZCTEOSA-N 2 2 333.480 1.536 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369202417 445989245 /nfs/dbraw/zinc/98/92/45/445989245.db2.gz BOZCDGDOALRPFH-OAHLLOKOSA-N 2 2 326.404 1.257 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000369202417 445989248 /nfs/dbraw/zinc/98/92/48/445989248.db2.gz BOZCDGDOALRPFH-OAHLLOKOSA-N 2 2 326.404 1.257 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)C2=O)n(C)n1 ZINC000365986769 445945779 /nfs/dbraw/zinc/94/57/79/445945779.db2.gz HAWPNBYQRNPLTJ-CABCVRRESA-N 2 2 342.447 1.225 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)C2=O)n(C)n1 ZINC000365986769 445945784 /nfs/dbraw/zinc/94/57/84/445945784.db2.gz HAWPNBYQRNPLTJ-CABCVRRESA-N 2 2 342.447 1.225 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1)C[NH+]1CCCCC1 ZINC000364718781 445948937 /nfs/dbraw/zinc/94/89/37/445948937.db2.gz XVDRIIMENHGJTD-CVEARBPZSA-N 2 2 333.480 1.867 20 0 EDADLP c1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc(N2CCSCC2)[nH+]1 ZINC000372969616 445950513 /nfs/dbraw/zinc/95/05/13/445950513.db2.gz NYDBLMOXZRWFSM-ARFHVFGLSA-N 2 2 345.516 1.950 20 0 EDADLP c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc(N2CCSCC2)[nH+]1 ZINC000372969616 445950522 /nfs/dbraw/zinc/95/05/22/445950522.db2.gz NYDBLMOXZRWFSM-ARFHVFGLSA-N 2 2 345.516 1.950 20 0 EDADLP c1nc(N2CCSCC2)cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)[nH+]1 ZINC000372969616 445950529 /nfs/dbraw/zinc/95/05/29/445950529.db2.gz NYDBLMOXZRWFSM-ARFHVFGLSA-N 2 2 345.516 1.950 20 0 EDADLP c1nc(N2CCSCC2)cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)[nH+]1 ZINC000372969616 445950534 /nfs/dbraw/zinc/95/05/34/445950534.db2.gz NYDBLMOXZRWFSM-ARFHVFGLSA-N 2 2 345.516 1.950 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCOCCC(C)C)C[C@@H]1C ZINC000354222448 446018504 /nfs/dbraw/zinc/01/85/04/446018504.db2.gz JLDYZISHYZVSSW-IRXDYDNUSA-N 2 2 327.513 1.970 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCOCCC(C)C)C[C@@H]1C ZINC000354222448 446018511 /nfs/dbraw/zinc/01/85/11/446018511.db2.gz JLDYZISHYZVSSW-IRXDYDNUSA-N 2 2 327.513 1.970 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCOCCC(C)C)C[C@@H]1C ZINC000354222448 446018515 /nfs/dbraw/zinc/01/85/15/446018515.db2.gz JLDYZISHYZVSSW-IRXDYDNUSA-N 2 2 327.513 1.970 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCOCCC(C)C)C[C@@H]1C ZINC000354222448 446018521 /nfs/dbraw/zinc/01/85/21/446018521.db2.gz JLDYZISHYZVSSW-IRXDYDNUSA-N 2 2 327.513 1.970 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)ccc3O)C2)CC1 ZINC000369255954 446024718 /nfs/dbraw/zinc/02/47/18/446024718.db2.gz NXZUUKPXXGUEPO-CYBMUJFWSA-N 2 2 337.851 1.944 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Cl)ccc3O)C2)CC1 ZINC000369255954 446024721 /nfs/dbraw/zinc/02/47/21/446024721.db2.gz NXZUUKPXXGUEPO-CYBMUJFWSA-N 2 2 337.851 1.944 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000365117728 446035680 /nfs/dbraw/zinc/03/56/80/446035680.db2.gz DZBOYJAYHFHBOT-GJZGRUSLSA-N 2 2 335.452 1.123 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000356813329 446043455 /nfs/dbraw/zinc/04/34/55/446043455.db2.gz QAMQNEPHSMJQLN-UONOGXRCSA-N 2 2 327.469 1.249 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000366082227 446001776 /nfs/dbraw/zinc/00/17/76/446001776.db2.gz CJQWXIPZUNODSY-HLLBOEOZSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000366082227 446001783 /nfs/dbraw/zinc/00/17/83/446001783.db2.gz CJQWXIPZUNODSY-HLLBOEOZSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000366082227 446001794 /nfs/dbraw/zinc/00/17/94/446001794.db2.gz CJQWXIPZUNODSY-HLLBOEOZSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1n1cc[nH+]c1 ZINC000366087525 446004660 /nfs/dbraw/zinc/00/46/60/446004660.db2.gz RHADPXQCZNLXQB-VQHPVUNQSA-N 2 2 347.463 1.339 20 0 EDADLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C[C@@H]1n1cc[nH+]c1 ZINC000366087525 446004661 /nfs/dbraw/zinc/00/46/61/446004661.db2.gz RHADPXQCZNLXQB-VQHPVUNQSA-N 2 2 347.463 1.339 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CCc2c(Cl)cccc2C1)C1CC1 ZINC000583867832 326155938 /nfs/dbraw/zinc/15/59/38/326155938.db2.gz NXOKLGRRVBUWSD-MRXNPFEDSA-N 2 2 337.895 1.743 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCc2c(Cl)cccc2C1)C1CC1 ZINC000583867832 326155940 /nfs/dbraw/zinc/15/59/40/326155940.db2.gz NXOKLGRRVBUWSD-MRXNPFEDSA-N 2 2 337.895 1.743 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000583916364 326163974 /nfs/dbraw/zinc/16/39/74/326163974.db2.gz HWJLFDUUKYDDEH-GOSISDBHSA-N 2 2 341.459 1.926 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000583916364 326163980 /nfs/dbraw/zinc/16/39/80/326163980.db2.gz HWJLFDUUKYDDEH-GOSISDBHSA-N 2 2 341.459 1.926 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000356840126 446061849 /nfs/dbraw/zinc/06/18/49/446061849.db2.gz DGYLNMCAINCLMM-SJORKVTESA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000356840126 446061857 /nfs/dbraw/zinc/06/18/57/446061857.db2.gz DGYLNMCAINCLMM-SJORKVTESA-N 2 2 344.503 1.599 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000354264424 446060691 /nfs/dbraw/zinc/06/06/91/446060691.db2.gz JSQCXHIMCVORQY-OAGGEKHMSA-N 2 2 348.495 1.527 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000354264424 446060697 /nfs/dbraw/zinc/06/06/97/446060697.db2.gz JSQCXHIMCVORQY-OAGGEKHMSA-N 2 2 348.495 1.527 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C2)C1 ZINC000366188327 446070940 /nfs/dbraw/zinc/07/09/40/446070940.db2.gz VQCCFVAWOGGULV-LJQANCHMSA-N 2 2 343.475 1.919 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C2)C1 ZINC000366188327 446070948 /nfs/dbraw/zinc/07/09/48/446070948.db2.gz VQCCFVAWOGGULV-LJQANCHMSA-N 2 2 343.475 1.919 20 0 EDADLP COC(=O)[C@H](C(OC)OC)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000369336761 446081940 /nfs/dbraw/zinc/08/19/40/446081940.db2.gz YHPOASNWCPPTHQ-OAHLLOKOSA-N 2 2 337.420 1.427 20 0 EDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359298795 446132382 /nfs/dbraw/zinc/13/23/82/446132382.db2.gz GEIIOQUFDOMSBZ-UTUOFQBUSA-N 2 2 338.249 1.927 20 0 EDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359298795 446132387 /nfs/dbraw/zinc/13/23/87/446132387.db2.gz GEIIOQUFDOMSBZ-UTUOFQBUSA-N 2 2 338.249 1.927 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351488886 446089577 /nfs/dbraw/zinc/08/95/77/446089577.db2.gz GMUQHQKMWLRZNG-XJFOESAGSA-N 2 2 328.416 1.029 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351488886 446089581 /nfs/dbraw/zinc/08/95/81/446089581.db2.gz GMUQHQKMWLRZNG-XJFOESAGSA-N 2 2 328.416 1.029 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H](C3CC3)[NH+](C)C)ccc2[nH+]1 ZINC000359256867 446092009 /nfs/dbraw/zinc/09/20/09/446092009.db2.gz ZVZRTPCIQAAMTE-CQSZACIVSA-N 2 2 329.404 1.038 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000373206684 446095940 /nfs/dbraw/zinc/09/59/40/446095940.db2.gz UNPVFCGENBNXCN-HKUYNNGSSA-N 2 2 344.503 1.746 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000373206684 446095942 /nfs/dbraw/zinc/09/59/42/446095942.db2.gz UNPVFCGENBNXCN-HKUYNNGSSA-N 2 2 344.503 1.746 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)C1 ZINC000369360315 446101304 /nfs/dbraw/zinc/10/13/04/446101304.db2.gz WCEQJGXGQLWUKI-INIZCTEOSA-N 2 2 327.432 1.186 20 0 EDADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)C1 ZINC000369360315 446101309 /nfs/dbraw/zinc/10/13/09/446101309.db2.gz WCEQJGXGQLWUKI-INIZCTEOSA-N 2 2 327.432 1.186 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000369368491 446109072 /nfs/dbraw/zinc/10/90/72/446109072.db2.gz CYMPZCWIEBAGLR-AEFFLSMTSA-N 3 2 349.523 1.035 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000369368491 446109080 /nfs/dbraw/zinc/10/90/80/446109080.db2.gz CYMPZCWIEBAGLR-AEFFLSMTSA-N 3 2 349.523 1.035 20 0 EDADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H](F)C[NH+]1Cc1c(C)noc1C ZINC000351579330 446176379 /nfs/dbraw/zinc/17/63/79/446176379.db2.gz BNPIBAOGMMCYIX-HUUCEWRRSA-N 2 2 340.443 1.662 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@@H](F)C[NH+]1Cc1c(C)noc1C ZINC000351579330 446176386 /nfs/dbraw/zinc/17/63/86/446176386.db2.gz BNPIBAOGMMCYIX-HUUCEWRRSA-N 2 2 340.443 1.662 20 0 EDADLP CCC[NH+](C)CC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000351579330 446176393 /nfs/dbraw/zinc/17/63/93/446176393.db2.gz BNPIBAOGMMCYIX-HUUCEWRRSA-N 2 2 340.443 1.662 20 0 EDADLP CCC[NH+](C)CC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000351579330 446176395 /nfs/dbraw/zinc/17/63/95/446176395.db2.gz BNPIBAOGMMCYIX-HUUCEWRRSA-N 2 2 340.443 1.662 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354400894 446178204 /nfs/dbraw/zinc/17/82/04/446178204.db2.gz GDUGUNKSJFKXKH-OAHLLOKOSA-N 2 2 332.448 1.080 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354400894 446178209 /nfs/dbraw/zinc/17/82/09/446178209.db2.gz GDUGUNKSJFKXKH-OAHLLOKOSA-N 2 2 332.448 1.080 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000354434481 446202039 /nfs/dbraw/zinc/20/20/39/446202039.db2.gz ZOAFPAPDOBJOJR-KRWDZBQOSA-N 2 2 339.443 1.936 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[NH+]2CCC1CC2 ZINC000366417938 446202727 /nfs/dbraw/zinc/20/27/27/446202727.db2.gz PRRBXEGYLJLGOD-UHFFFAOYSA-N 2 2 334.370 1.930 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000370280294 446211231 /nfs/dbraw/zinc/21/12/31/446211231.db2.gz FMRLYJSKMTTYEQ-BZUAXINKSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000370280294 446211236 /nfs/dbraw/zinc/21/12/36/446211236.db2.gz FMRLYJSKMTTYEQ-BZUAXINKSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000370280294 446211239 /nfs/dbraw/zinc/21/12/39/446211239.db2.gz FMRLYJSKMTTYEQ-BZUAXINKSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000370280294 446211243 /nfs/dbraw/zinc/21/12/43/446211243.db2.gz FMRLYJSKMTTYEQ-BZUAXINKSA-N 3 2 349.523 1.079 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nn1 ZINC000370285972 446214298 /nfs/dbraw/zinc/21/42/98/446214298.db2.gz RHAJUVLDWFKGKH-GOEBONIOSA-N 2 2 343.431 1.490 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nn1 ZINC000370285972 446214302 /nfs/dbraw/zinc/21/43/02/446214302.db2.gz RHAJUVLDWFKGKH-GOEBONIOSA-N 2 2 343.431 1.490 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000373531732 446250613 /nfs/dbraw/zinc/25/06/13/446250613.db2.gz DWFBMQAFGWLLPH-ROUUACIJSA-N 2 2 342.443 1.104 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000373531732 446250614 /nfs/dbraw/zinc/25/06/14/446250614.db2.gz DWFBMQAFGWLLPH-ROUUACIJSA-N 2 2 342.443 1.104 20 0 EDADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000362191190 446253593 /nfs/dbraw/zinc/25/35/93/446253593.db2.gz UFBISEWCZKBRMR-SJLPKXTDSA-N 2 2 331.460 1.613 20 0 EDADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000362191190 446253595 /nfs/dbraw/zinc/25/35/95/446253595.db2.gz UFBISEWCZKBRMR-SJLPKXTDSA-N 2 2 331.460 1.613 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000366629735 446285441 /nfs/dbraw/zinc/28/54/41/446285441.db2.gz JSSKTIAATASACP-JKSUJKDBSA-N 2 2 325.416 1.872 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)C2 ZINC000365685502 446299703 /nfs/dbraw/zinc/29/97/03/446299703.db2.gz GVUOUBMGSVJPSF-FUHWJXTLSA-N 2 2 346.475 1.323 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)C2 ZINC000365685502 446299706 /nfs/dbraw/zinc/29/97/06/446299706.db2.gz GVUOUBMGSVJPSF-FUHWJXTLSA-N 2 2 346.475 1.323 20 0 EDADLP Nc1[nH+]cnc(N2CCC(CC[NH+]3CCOCC3)CC2)c1Cl ZINC000370501122 446307978 /nfs/dbraw/zinc/30/79/78/446307978.db2.gz UUGXGDKYIKQXNV-UHFFFAOYSA-N 2 2 325.844 1.651 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370591437 446346517 /nfs/dbraw/zinc/34/65/17/446346517.db2.gz ZTMHWQDTQAPTNV-GVDBMIGSSA-N 2 2 339.443 1.960 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370591437 446346522 /nfs/dbraw/zinc/34/65/22/446346522.db2.gz ZTMHWQDTQAPTNV-GVDBMIGSSA-N 2 2 339.443 1.960 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1[C@@H]1C[C@H]1c1ccccc1 ZINC000365813484 446353311 /nfs/dbraw/zinc/35/33/11/446353311.db2.gz NKVSVZFECDYJGP-BTHPGYMESA-N 2 2 329.488 1.879 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1[C@@H]1C[C@H]1c1ccccc1 ZINC000365813484 446353317 /nfs/dbraw/zinc/35/33/17/446353317.db2.gz NKVSVZFECDYJGP-BTHPGYMESA-N 2 2 329.488 1.879 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1[C@@H]1C[C@H]1c1ccccc1 ZINC000365813484 446353321 /nfs/dbraw/zinc/35/33/21/446353321.db2.gz NKVSVZFECDYJGP-BTHPGYMESA-N 2 2 329.488 1.879 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1[C@@H]1C[C@H]1c1ccccc1 ZINC000365813484 446353325 /nfs/dbraw/zinc/35/33/25/446353325.db2.gz NKVSVZFECDYJGP-BTHPGYMESA-N 2 2 329.488 1.879 20 0 EDADLP CCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000370683496 446385583 /nfs/dbraw/zinc/38/55/83/446385583.db2.gz VWHNYGYYOMGPNM-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP CCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000370683496 446385587 /nfs/dbraw/zinc/38/55/87/446385587.db2.gz VWHNYGYYOMGPNM-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP CCS(=O)(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000370683496 446385592 /nfs/dbraw/zinc/38/55/92/446385592.db2.gz VWHNYGYYOMGPNM-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP CCS(=O)(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000370683496 446385595 /nfs/dbraw/zinc/38/55/95/446385595.db2.gz VWHNYGYYOMGPNM-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP C[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951301 446397067 /nfs/dbraw/zinc/39/70/67/446397067.db2.gz YQVWNICCCNUJOO-KGLIPLIRSA-N 2 2 328.819 1.743 20 0 EDADLP C[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951301 446397072 /nfs/dbraw/zinc/39/70/72/446397072.db2.gz YQVWNICCCNUJOO-KGLIPLIRSA-N 2 2 328.819 1.743 20 0 EDADLP CCc1cc(NC[C@]2(COC)CCC[NH2+]2)nc(-c2ccncc2)[nH+]1 ZINC000420249619 446432275 /nfs/dbraw/zinc/43/22/75/446432275.db2.gz JEASBPNXSBNTMG-SFHVURJKSA-N 2 2 327.432 1.703 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc(N2CCCC2)n1 ZINC000423137350 446436901 /nfs/dbraw/zinc/43/69/01/446436901.db2.gz WEOHREZNAGRPOV-KURKYZTESA-N 2 2 345.491 1.632 20 0 EDADLP CC(C)c1nc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)nc(N(C)C)[nH+]1 ZINC000420280411 446448228 /nfs/dbraw/zinc/44/82/28/446448228.db2.gz LGCYSIWAQMSLOR-KGLIPLIRSA-N 2 2 334.468 1.394 20 0 EDADLP CC(C)c1nc(N(C)C)nc(N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)[nH+]1 ZINC000420280411 446448230 /nfs/dbraw/zinc/44/82/30/446448230.db2.gz LGCYSIWAQMSLOR-KGLIPLIRSA-N 2 2 334.468 1.394 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000370750352 446416048 /nfs/dbraw/zinc/41/60/48/446416048.db2.gz PUODJQUUAVNTMO-MRXNPFEDSA-N 2 2 329.448 2.344 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000370750352 446416051 /nfs/dbraw/zinc/41/60/51/446416051.db2.gz PUODJQUUAVNTMO-MRXNPFEDSA-N 2 2 329.448 2.344 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000418048392 446424163 /nfs/dbraw/zinc/42/41/63/446424163.db2.gz LAVUVZWTUDIJMZ-CQSZACIVSA-N 2 2 336.867 1.701 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000418048392 446424168 /nfs/dbraw/zinc/42/41/68/446424168.db2.gz LAVUVZWTUDIJMZ-CQSZACIVSA-N 2 2 336.867 1.701 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC[C@@H]1CC[NH2+]C1 ZINC000418052651 446425401 /nfs/dbraw/zinc/42/54/01/446425401.db2.gz XHOFDZYCLVLLIQ-CYBMUJFWSA-N 2 2 336.867 1.607 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC[C@@H]1CC[NH2+]C1 ZINC000418052651 446425408 /nfs/dbraw/zinc/42/54/08/446425408.db2.gz XHOFDZYCLVLLIQ-CYBMUJFWSA-N 2 2 336.867 1.607 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000376409860 446481347 /nfs/dbraw/zinc/48/13/47/446481347.db2.gz AQYZSMMJPMFIBN-GJZGRUSLSA-N 2 2 347.463 1.224 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000420309221 446471765 /nfs/dbraw/zinc/47/17/65/446471765.db2.gz ONZMCKHQQMBNNF-CQSZACIVSA-N 2 2 346.475 1.505 20 0 EDADLP O=C1[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1F ZINC000420311758 446475716 /nfs/dbraw/zinc/47/57/16/446475716.db2.gz HRWVHDLWWSRELE-MAUKXSAKSA-N 2 2 346.450 1.301 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420314262 446478093 /nfs/dbraw/zinc/47/80/93/446478093.db2.gz VKVIDDPOQGYOHE-KKUMJFAQSA-N 2 2 331.416 1.389 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420314262 446478103 /nfs/dbraw/zinc/47/81/03/446478103.db2.gz VKVIDDPOQGYOHE-KKUMJFAQSA-N 2 2 331.416 1.389 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370806787 446453564 /nfs/dbraw/zinc/45/35/64/446453564.db2.gz XJVPSPVKSVVZEC-ROUUACIJSA-N 2 2 331.460 1.092 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420317584 446483786 /nfs/dbraw/zinc/48/37/86/446483786.db2.gz ZMRRRZWGYRZSKB-CWRNSKLLSA-N 2 2 331.416 1.471 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420317584 446483791 /nfs/dbraw/zinc/48/37/91/446483791.db2.gz ZMRRRZWGYRZSKB-CWRNSKLLSA-N 2 2 331.416 1.471 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)[NH+](C)C ZINC000423305515 446482075 /nfs/dbraw/zinc/48/20/75/446482075.db2.gz KNJZUDACMQAJBE-UKRRQHHQSA-N 2 2 334.445 1.571 20 0 EDADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423336231 446492605 /nfs/dbraw/zinc/49/26/05/446492605.db2.gz UGWPUKFFRIYYQO-CHWSQXEVSA-N 2 2 337.445 1.756 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000420326801 446493461 /nfs/dbraw/zinc/49/34/61/446493461.db2.gz XTQGFQXJSPIKNB-MRXNPFEDSA-N 2 2 333.476 1.928 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]([NH3+])C1CCC1)CC2 ZINC000423384359 446511854 /nfs/dbraw/zinc/51/18/54/446511854.db2.gz LBVQCZFVLYNHLL-GOSISDBHSA-N 2 2 347.459 1.306 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]([NH3+])C1CCC1)CC2 ZINC000423384359 446511859 /nfs/dbraw/zinc/51/18/59/446511859.db2.gz LBVQCZFVLYNHLL-GOSISDBHSA-N 2 2 347.459 1.306 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420328248 446497509 /nfs/dbraw/zinc/49/75/09/446497509.db2.gz FEXHNFXHBJEJAQ-JQFCIGGWSA-N 2 2 345.443 1.162 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420328248 446497513 /nfs/dbraw/zinc/49/75/13/446497513.db2.gz FEXHNFXHBJEJAQ-JQFCIGGWSA-N 2 2 345.443 1.162 20 0 EDADLP COc1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420328869 446497715 /nfs/dbraw/zinc/49/77/15/446497715.db2.gz NFMFSBOPOABRON-AWEZNQCLSA-N 2 2 333.432 1.321 20 0 EDADLP COc1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420328869 446497717 /nfs/dbraw/zinc/49/77/17/446497717.db2.gz NFMFSBOPOABRON-AWEZNQCLSA-N 2 2 333.432 1.321 20 0 EDADLP COCCCn1nccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000374992861 446500439 /nfs/dbraw/zinc/50/04/39/446500439.db2.gz BFCUHMHECXNCAL-GOSISDBHSA-N 2 2 349.523 1.522 20 0 EDADLP COCCCn1nccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000374992861 446500444 /nfs/dbraw/zinc/50/04/44/446500444.db2.gz BFCUHMHECXNCAL-GOSISDBHSA-N 2 2 349.523 1.522 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423527849 446562457 /nfs/dbraw/zinc/56/24/57/446562457.db2.gz WCNLRDBMDRIXMA-XRXFAXGQSA-N 3 2 342.531 1.780 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423527849 446562461 /nfs/dbraw/zinc/56/24/61/446562461.db2.gz WCNLRDBMDRIXMA-XRXFAXGQSA-N 3 2 342.531 1.780 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(COC)CCC[NH2+]2)[C@H](C)C1 ZINC000423426117 446531264 /nfs/dbraw/zinc/53/12/64/446531264.db2.gz MRZVLVJJVYAVAH-FGTMMUONSA-N 3 2 327.513 1.482 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(COC)CCC[NH2+]2)[C@H](C)C1 ZINC000423426117 446531268 /nfs/dbraw/zinc/53/12/68/446531268.db2.gz MRZVLVJJVYAVAH-FGTMMUONSA-N 3 2 327.513 1.482 20 0 EDADLP O=C(CC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000420352319 446531748 /nfs/dbraw/zinc/53/17/48/446531748.db2.gz ABVJHWZKBFHHPU-MRXNPFEDSA-N 2 2 337.851 1.535 20 0 EDADLP O=C(CC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000420352319 446531754 /nfs/dbraw/zinc/53/17/54/446531754.db2.gz ABVJHWZKBFHHPU-MRXNPFEDSA-N 2 2 337.851 1.535 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420357151 446538463 /nfs/dbraw/zinc/53/84/63/446538463.db2.gz HOWULDJQHQSREK-INIZCTEOSA-N 2 2 348.447 1.841 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCN1CCc2ccccc21 ZINC000420358107 446538476 /nfs/dbraw/zinc/53/84/76/446538476.db2.gz DXPAQOSJLYLHJO-FQEVSTJZSA-N 2 2 342.487 1.241 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCN1CCc2ccccc21 ZINC000420358107 446538480 /nfs/dbraw/zinc/53/84/80/446538480.db2.gz DXPAQOSJLYLHJO-FQEVSTJZSA-N 2 2 342.487 1.241 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000420392222 446567623 /nfs/dbraw/zinc/56/76/23/446567623.db2.gz UZYNJCQOLHCIHF-MRXNPFEDSA-N 2 2 332.473 1.890 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000420392222 446567626 /nfs/dbraw/zinc/56/76/26/446567626.db2.gz UZYNJCQOLHCIHF-MRXNPFEDSA-N 2 2 332.473 1.890 20 0 EDADLP Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000367432899 446545960 /nfs/dbraw/zinc/54/59/60/446545960.db2.gz RIPHXWALHGBRTC-ZDUSSCGKSA-N 2 2 339.871 1.293 20 0 EDADLP Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000367432899 446545970 /nfs/dbraw/zinc/54/59/70/446545970.db2.gz RIPHXWALHGBRTC-ZDUSSCGKSA-N 2 2 339.871 1.293 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCOC3CCC3)CC2)C1 ZINC000376519057 446552095 /nfs/dbraw/zinc/55/20/95/446552095.db2.gz PCFROZWKYSVRJS-GOSISDBHSA-N 2 2 325.497 1.282 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000420374075 446553309 /nfs/dbraw/zinc/55/33/09/446553309.db2.gz NBXXTQWPTNVWPR-MJGOQNOKSA-N 2 2 334.460 1.865 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000420374075 446553320 /nfs/dbraw/zinc/55/33/20/446553320.db2.gz NBXXTQWPTNVWPR-MJGOQNOKSA-N 2 2 334.460 1.865 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420379006 446554910 /nfs/dbraw/zinc/55/49/10/446554910.db2.gz ACPPWNARWRDUTH-SWLSCSKDSA-N 2 2 325.840 1.394 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420379006 446554914 /nfs/dbraw/zinc/55/49/14/446554914.db2.gz ACPPWNARWRDUTH-SWLSCSKDSA-N 2 2 325.840 1.394 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420380809 446557135 /nfs/dbraw/zinc/55/71/35/446557135.db2.gz OGVCTUNIHBVENX-GDBMZVCRSA-N 2 2 346.475 1.220 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420380809 446557138 /nfs/dbraw/zinc/55/71/38/446557138.db2.gz OGVCTUNIHBVENX-GDBMZVCRSA-N 2 2 346.475 1.220 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411587877 446616989 /nfs/dbraw/zinc/61/69/89/446616989.db2.gz YMCZIKFOMQCJRY-SCTDSRPQSA-N 2 2 346.475 1.301 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411587877 446616993 /nfs/dbraw/zinc/61/69/93/446616993.db2.gz YMCZIKFOMQCJRY-SCTDSRPQSA-N 2 2 346.475 1.301 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000411587877 446616995 /nfs/dbraw/zinc/61/69/95/446616995.db2.gz YMCZIKFOMQCJRY-SCTDSRPQSA-N 2 2 346.475 1.301 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411587877 446616999 /nfs/dbraw/zinc/61/69/99/446616999.db2.gz YMCZIKFOMQCJRY-SCTDSRPQSA-N 2 2 346.475 1.301 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000423563891 446576837 /nfs/dbraw/zinc/57/68/37/446576837.db2.gz XKZDQCSETMSQLW-OAGGEKHMSA-N 2 2 349.479 1.124 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418515915 446576986 /nfs/dbraw/zinc/57/69/86/446576986.db2.gz QWKPWVVKRNNVCS-ZIAGYGMSSA-N 2 2 333.436 1.192 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H](C)CC[NH3+])CC2)c1 ZINC000418539239 446586957 /nfs/dbraw/zinc/58/69/57/446586957.db2.gz FMVHCWXTJNTTMO-LSDHHAIUSA-N 2 2 334.464 1.821 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418547832 446589117 /nfs/dbraw/zinc/58/91/17/446589117.db2.gz JWJPVOYXNZWPLG-GJZGRUSLSA-N 2 2 347.463 1.582 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCOCC1 ZINC000376595119 446595825 /nfs/dbraw/zinc/59/58/25/446595825.db2.gz KRKGFRIJZYOIIL-HNNXBMFYSA-N 2 2 332.448 1.258 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)N1CCOCC1 ZINC000376595119 446595828 /nfs/dbraw/zinc/59/58/28/446595828.db2.gz KRKGFRIJZYOIIL-HNNXBMFYSA-N 2 2 332.448 1.258 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418591043 446604603 /nfs/dbraw/zinc/60/46/03/446604603.db2.gz MIDIJOZPMXVHPU-RDBSUJKOSA-N 2 2 342.484 1.958 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418591043 446604609 /nfs/dbraw/zinc/60/46/09/446604609.db2.gz MIDIJOZPMXVHPU-RDBSUJKOSA-N 2 2 342.484 1.958 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000368102897 446643832 /nfs/dbraw/zinc/64/38/32/446643832.db2.gz QNNRLIQUJMJOQT-KBPBESRZSA-N 2 2 338.521 1.646 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000368143576 446666017 /nfs/dbraw/zinc/66/60/17/446666017.db2.gz SLJOYSFZHUXUEI-QGZVFWFLSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CC[NH+](C2CCCC2)CC1 ZINC000368143576 446666019 /nfs/dbraw/zinc/66/60/19/446666019.db2.gz SLJOYSFZHUXUEI-QGZVFWFLSA-N 2 2 336.480 1.119 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C2([NH3+])CCCC2)[NH+]2CCOCC2)s1 ZINC000423755263 446686022 /nfs/dbraw/zinc/68/60/22/446686022.db2.gz JNLIUMNNFDMYSY-AWEZNQCLSA-N 2 2 337.489 1.818 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000423757911 446687583 /nfs/dbraw/zinc/68/75/83/446687583.db2.gz MXXOPTQNROXOTI-JSGCOSHPSA-N 2 2 325.478 1.402 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@]12CCOC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000375276134 446688513 /nfs/dbraw/zinc/68/85/13/446688513.db2.gz FQXOGDWDEDLTIJ-LJQANCHMSA-N 2 2 344.459 1.375 20 0 EDADLP O=C(CC[N@H+]1CCC[C@]12CCOC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000375276134 446688521 /nfs/dbraw/zinc/68/85/21/446688521.db2.gz FQXOGDWDEDLTIJ-LJQANCHMSA-N 2 2 344.459 1.375 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000418782974 446700227 /nfs/dbraw/zinc/70/02/27/446700227.db2.gz FPJVDAAXLPRQQV-IRXDYDNUSA-N 2 2 346.475 1.520 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](C(=O)N(C)C)C3)c2cc1C ZINC000411929217 446739096 /nfs/dbraw/zinc/73/90/96/446739096.db2.gz DJMIMXGZFHPEED-CVEARBPZSA-N 2 2 344.459 1.424 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](C(=O)N(C)C)C3)c2cc1C ZINC000411929217 446739100 /nfs/dbraw/zinc/73/91/00/446739100.db2.gz DJMIMXGZFHPEED-CVEARBPZSA-N 2 2 344.459 1.424 20 0 EDADLP C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000411905065 446712792 /nfs/dbraw/zinc/71/27/92/446712792.db2.gz MOXDEELMXPPAMM-AWEZNQCLSA-N 2 2 339.480 1.345 20 0 EDADLP C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000411905065 446712797 /nfs/dbraw/zinc/71/27/97/446712797.db2.gz MOXDEELMXPPAMM-AWEZNQCLSA-N 2 2 339.480 1.345 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423829564 446719533 /nfs/dbraw/zinc/71/95/33/446719533.db2.gz PFUZMLJBTQFCQB-ZNMIVQPWSA-N 2 2 341.814 1.329 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423829564 446719537 /nfs/dbraw/zinc/71/95/37/446719537.db2.gz PFUZMLJBTQFCQB-ZNMIVQPWSA-N 2 2 341.814 1.329 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000423831449 446721818 /nfs/dbraw/zinc/72/18/18/446721818.db2.gz QZDGINSDZKZUFI-PTOXDTDZSA-N 2 2 335.398 1.826 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000423831449 446721823 /nfs/dbraw/zinc/72/18/23/446721823.db2.gz QZDGINSDZKZUFI-PTOXDTDZSA-N 2 2 335.398 1.826 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)c2)CC1 ZINC000423837286 446725121 /nfs/dbraw/zinc/72/51/21/446725121.db2.gz HLBUQOZYSVLUSY-QGZVFWFLSA-N 2 2 346.475 1.663 20 0 EDADLP COC(=O)c1occc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376799188 446725650 /nfs/dbraw/zinc/72/56/50/446725650.db2.gz NKKSVCBUCOYAHI-MRXNPFEDSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1occc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376799188 446725652 /nfs/dbraw/zinc/72/56/52/446725652.db2.gz NKKSVCBUCOYAHI-MRXNPFEDSA-N 2 2 335.448 1.667 20 0 EDADLP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423837827 446726575 /nfs/dbraw/zinc/72/65/75/446726575.db2.gz XEXGJWRSLBZZPN-GOEBONIOSA-N 2 2 343.830 1.577 20 0 EDADLP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423837827 446726584 /nfs/dbraw/zinc/72/65/84/446726584.db2.gz XEXGJWRSLBZZPN-GOEBONIOSA-N 2 2 343.830 1.577 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423853308 446732240 /nfs/dbraw/zinc/73/22/40/446732240.db2.gz WPEICAOHCIDKHN-KRWDZBQOSA-N 2 2 330.432 1.041 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418759278 446678492 /nfs/dbraw/zinc/67/84/92/446678492.db2.gz DKQFUAFMSKRDDJ-HZPDHXFCSA-N 2 2 333.480 1.916 20 0 EDADLP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418759232 446678915 /nfs/dbraw/zinc/67/89/15/446678915.db2.gz DFDZJEYQNCZFOY-QGZVFWFLSA-N 2 2 331.464 1.441 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000368262025 446745051 /nfs/dbraw/zinc/74/50/51/446745051.db2.gz FCLBNARINTWPBG-AEFFLSMTSA-N 2 2 338.496 1.269 20 0 EDADLP CCOC(=O)c1coc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000418894354 446779439 /nfs/dbraw/zinc/77/94/39/446779439.db2.gz BCDCQKIRIWSOHK-ZDUSSCGKSA-N 2 2 336.436 1.456 20 0 EDADLP CCOC(=O)c1coc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000418894354 446779442 /nfs/dbraw/zinc/77/94/42/446779442.db2.gz BCDCQKIRIWSOHK-ZDUSSCGKSA-N 2 2 336.436 1.456 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000423934366 446785839 /nfs/dbraw/zinc/78/58/39/446785839.db2.gz ZBRXBABUMKUDSW-KSSFIOAISA-N 2 2 332.448 1.660 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCOCC1)[NH+](C)C ZINC000454161327 446794845 /nfs/dbraw/zinc/79/48/45/446794845.db2.gz GYVUJDXAKHQKAP-HNNXBMFYSA-N 2 2 334.464 1.268 20 0 EDADLP O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000371348297 446795796 /nfs/dbraw/zinc/79/57/96/446795796.db2.gz VEOUGZKNWSMEJC-HOTGVXAUSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000371348297 446795800 /nfs/dbraw/zinc/79/58/00/446795800.db2.gz VEOUGZKNWSMEJC-HOTGVXAUSA-N 2 2 329.448 1.540 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000424007774 446820598 /nfs/dbraw/zinc/82/05/98/446820598.db2.gz XYBBZQQMJRYGLS-YVSFHVDLSA-N 2 2 343.475 1.430 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000424007774 446820607 /nfs/dbraw/zinc/82/06/07/446820607.db2.gz XYBBZQQMJRYGLS-YVSFHVDLSA-N 2 2 343.475 1.430 20 0 EDADLP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000412089911 446850233 /nfs/dbraw/zinc/85/02/33/446850233.db2.gz PZBZGZAXOPVVQV-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H]1[C@@H](CO)CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000412089911 446850243 /nfs/dbraw/zinc/85/02/43/446850243.db2.gz PZBZGZAXOPVVQV-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP COCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368395728 446837252 /nfs/dbraw/zinc/83/72/52/446837252.db2.gz VLQRYNBKQONBBT-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP COCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368395728 446837256 /nfs/dbraw/zinc/83/72/56/446837256.db2.gz VLQRYNBKQONBBT-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000412045099 446807890 /nfs/dbraw/zinc/80/78/90/446807890.db2.gz RGJOMGAJLNSLKX-UHFFFAOYSA-N 2 2 325.840 1.554 20 0 EDADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000412045099 446807894 /nfs/dbraw/zinc/80/78/94/446807894.db2.gz RGJOMGAJLNSLKX-UHFFFAOYSA-N 2 2 325.840 1.554 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000418999508 446855892 /nfs/dbraw/zinc/85/58/92/446855892.db2.gz JDVLJHUYWDTOIO-JKSUJKDBSA-N 2 2 346.475 1.405 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000418999508 446855899 /nfs/dbraw/zinc/85/58/99/446855899.db2.gz JDVLJHUYWDTOIO-JKSUJKDBSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000412098665 446859131 /nfs/dbraw/zinc/85/91/31/446859131.db2.gz VTVNMYKCSPSQIP-HKUYNNGSSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000412098665 446859135 /nfs/dbraw/zinc/85/91/35/446859135.db2.gz VTVNMYKCSPSQIP-HKUYNNGSSA-N 2 2 345.487 1.424 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000419007782 446861676 /nfs/dbraw/zinc/86/16/76/446861676.db2.gz SBUBOAXDFORWSX-IBGZPJMESA-N 2 2 346.475 1.217 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000419007782 446861685 /nfs/dbraw/zinc/86/16/85/446861685.db2.gz SBUBOAXDFORWSX-IBGZPJMESA-N 2 2 346.475 1.217 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000424453295 446874663 /nfs/dbraw/zinc/87/46/63/446874663.db2.gz KHERLCYKSFHRGY-KURKYZTESA-N 2 2 346.475 1.629 20 0 EDADLP C[N@H+](CC(=O)NC(C)(C)C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900946 446877781 /nfs/dbraw/zinc/87/77/81/446877781.db2.gz KCRWTEVESOCZLI-UHFFFAOYSA-N 2 2 333.476 1.865 20 0 EDADLP C[N@@H+](CC(=O)NC(C)(C)C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900946 446877789 /nfs/dbraw/zinc/87/77/89/446877789.db2.gz KCRWTEVESOCZLI-UHFFFAOYSA-N 2 2 333.476 1.865 20 0 EDADLP COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC000420915914 446885760 /nfs/dbraw/zinc/88/57/60/446885760.db2.gz GMZZVSVTEVYPOI-CRAIPNDOSA-N 2 2 332.444 1.902 20 0 EDADLP COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC000420915914 446885768 /nfs/dbraw/zinc/88/57/68/446885768.db2.gz GMZZVSVTEVYPOI-CRAIPNDOSA-N 2 2 332.444 1.902 20 0 EDADLP C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924097 446892246 /nfs/dbraw/zinc/89/22/46/446892246.db2.gz RSDVDRUAIIWSCS-APWZRJJASA-N 2 2 334.460 1.491 20 0 EDADLP C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924097 446892251 /nfs/dbraw/zinc/89/22/51/446892251.db2.gz RSDVDRUAIIWSCS-APWZRJJASA-N 2 2 334.460 1.491 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC[S@]1=O ZINC000420925961 446893512 /nfs/dbraw/zinc/89/35/12/446893512.db2.gz XCWZYRMISGMDKV-WAIKUNEKSA-N 2 2 336.501 1.862 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC[S@]1=O ZINC000420925961 446893518 /nfs/dbraw/zinc/89/35/18/446893518.db2.gz XCWZYRMISGMDKV-WAIKUNEKSA-N 2 2 336.501 1.862 20 0 EDADLP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](CO)O1 ZINC000420925619 446893875 /nfs/dbraw/zinc/89/38/75/446893875.db2.gz LYZAULSGCMGPIJ-GOSISDBHSA-N 2 2 334.460 1.491 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](CO)O1 ZINC000420925619 446893878 /nfs/dbraw/zinc/89/38/78/446893878.db2.gz LYZAULSGCMGPIJ-GOSISDBHSA-N 2 2 334.460 1.491 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000420965568 446935732 /nfs/dbraw/zinc/93/57/32/446935732.db2.gz POMAMMLPSSUQED-HXUWFJFHSA-N 2 2 346.471 1.900 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000420965568 446935736 /nfs/dbraw/zinc/93/57/36/446935736.db2.gz POMAMMLPSSUQED-HXUWFJFHSA-N 2 2 346.471 1.900 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000368570360 446948515 /nfs/dbraw/zinc/94/85/15/446948515.db2.gz SULJWHFFASEJSC-KGLIPLIRSA-N 2 2 333.436 1.501 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000368570360 446948519 /nfs/dbraw/zinc/94/85/19/446948519.db2.gz SULJWHFFASEJSC-KGLIPLIRSA-N 2 2 333.436 1.501 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442761915 446955523 /nfs/dbraw/zinc/95/55/23/446955523.db2.gz ZCRVODJAECKUGA-DYEKYZERSA-N 2 2 348.447 1.650 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442761915 446955531 /nfs/dbraw/zinc/95/55/31/446955531.db2.gz ZCRVODJAECKUGA-DYEKYZERSA-N 2 2 348.447 1.650 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ncnn3CC(C)C)CC2)CC1 ZINC000420985864 446961950 /nfs/dbraw/zinc/96/19/50/446961950.db2.gz XACPTLXZRDXBTG-UHFFFAOYSA-N 2 2 348.539 1.926 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ncnn3CC(C)C)CC2)CC1 ZINC000420985864 446961962 /nfs/dbraw/zinc/96/19/62/446961962.db2.gz XACPTLXZRDXBTG-UHFFFAOYSA-N 2 2 348.539 1.926 20 0 EDADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000372108864 447006811 /nfs/dbraw/zinc/00/68/11/447006811.db2.gz UJSVZBWFHXGEKH-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000372108864 447006814 /nfs/dbraw/zinc/00/68/14/447006814.db2.gz UJSVZBWFHXGEKH-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP CCCCCNC(=O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421004740 446979323 /nfs/dbraw/zinc/97/93/23/446979323.db2.gz IKYBDKWWLVWSRO-UHFFFAOYSA-N 2 2 338.540 1.785 20 0 EDADLP CCCCCNC(=O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421004740 446979330 /nfs/dbraw/zinc/97/93/30/446979330.db2.gz IKYBDKWWLVWSRO-UHFFFAOYSA-N 2 2 338.540 1.785 20 0 EDADLP CCCCCNC(=O)CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421004740 446979339 /nfs/dbraw/zinc/97/93/39/446979339.db2.gz IKYBDKWWLVWSRO-UHFFFAOYSA-N 2 2 338.540 1.785 20 0 EDADLP CCCCCNC(=O)CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421004740 446979346 /nfs/dbraw/zinc/97/93/46/446979346.db2.gz IKYBDKWWLVWSRO-UHFFFAOYSA-N 2 2 338.540 1.785 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413095144 446995627 /nfs/dbraw/zinc/99/56/27/446995627.db2.gz PQFVFCRFLMSVEV-UHFFFAOYSA-N 2 2 332.452 1.453 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413095144 446995633 /nfs/dbraw/zinc/99/56/33/446995633.db2.gz PQFVFCRFLMSVEV-UHFFFAOYSA-N 2 2 332.452 1.453 20 0 EDADLP C[C@H](C1CC1)n1nccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375767559 447033755 /nfs/dbraw/zinc/03/37/55/447033755.db2.gz GDWVPZURCJLVNT-JXGUBPELSA-N 2 2 345.491 1.772 20 0 EDADLP C[C@H](C1CC1)n1nccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375767559 447033763 /nfs/dbraw/zinc/03/37/63/447033763.db2.gz GDWVPZURCJLVNT-JXGUBPELSA-N 2 2 345.491 1.772 20 0 EDADLP C[C@H](C1CC1)n1nccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375767559 447033767 /nfs/dbraw/zinc/03/37/67/447033767.db2.gz GDWVPZURCJLVNT-JXGUBPELSA-N 2 2 345.491 1.772 20 0 EDADLP C[C@H](C1CC1)n1nccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375767559 447033772 /nfs/dbraw/zinc/03/37/72/447033772.db2.gz GDWVPZURCJLVNT-JXGUBPELSA-N 2 2 345.491 1.772 20 0 EDADLP COC[C@@H](C)OC[C@@H](O)C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000377274172 447034100 /nfs/dbraw/zinc/03/41/00/447034100.db2.gz WMMUWQBGSGVIAM-WBVHZDCISA-N 2 2 337.464 1.395 20 0 EDADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000377274172 447034105 /nfs/dbraw/zinc/03/41/05/447034105.db2.gz WMMUWQBGSGVIAM-WBVHZDCISA-N 2 2 337.464 1.395 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000377279218 447036804 /nfs/dbraw/zinc/03/68/04/447036804.db2.gz GAIUSCUXRNCJDR-OAHLLOKOSA-N 2 2 335.452 1.328 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425168351 447040103 /nfs/dbraw/zinc/04/01/03/447040103.db2.gz HNOSFPRWRUPJGG-SJORKVTESA-N 2 2 342.443 1.769 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425168351 447040108 /nfs/dbraw/zinc/04/01/08/447040108.db2.gz HNOSFPRWRUPJGG-SJORKVTESA-N 2 2 342.443 1.769 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)C2 ZINC000372402021 447055477 /nfs/dbraw/zinc/05/54/77/447055477.db2.gz UASDHTPBEHLOAF-KKUMJFAQSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)C2 ZINC000372402021 447055482 /nfs/dbraw/zinc/05/54/82/447055482.db2.gz UASDHTPBEHLOAF-KKUMJFAQSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)CC2 ZINC000372402021 447055488 /nfs/dbraw/zinc/05/54/88/447055488.db2.gz UASDHTPBEHLOAF-KKUMJFAQSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)CC2 ZINC000372402021 447055494 /nfs/dbraw/zinc/05/54/94/447055494.db2.gz UASDHTPBEHLOAF-KKUMJFAQSA-N 2 2 348.491 1.552 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372429664 447058555 /nfs/dbraw/zinc/05/85/55/447058555.db2.gz BOBPYXPGNRVJKM-YQVWRLOYSA-N 2 2 329.444 1.176 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000377322953 447066227 /nfs/dbraw/zinc/06/62/27/447066227.db2.gz ONNMLVDZWQHMGO-QGZVFWFLSA-N 2 2 341.521 1.042 20 0 EDADLP CN(C)c1[nH+]cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)n1C ZINC000425335875 447120494 /nfs/dbraw/zinc/12/04/94/447120494.db2.gz JUIOQCOPPWSMEZ-UHFFFAOYSA-N 2 2 333.480 1.711 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000372483744 447079574 /nfs/dbraw/zinc/07/95/74/447079574.db2.gz WOFFUTZTWYQPHV-HZPDHXFCSA-N 2 2 331.464 1.644 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)c3coc(C[NH3+])c3)CCCC2)no1 ZINC000444156073 447081980 /nfs/dbraw/zinc/08/19/80/447081980.db2.gz ARSJKDNCHWCOJR-UHFFFAOYSA-N 2 2 333.392 1.382 20 0 EDADLP [NH3+]Cc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)co1 ZINC000444168028 447085424 /nfs/dbraw/zinc/08/54/24/447085424.db2.gz GMYWSUGNAVDNRZ-UHFFFAOYSA-N 2 2 329.400 1.501 20 0 EDADLP Cn1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000375848866 447097675 /nfs/dbraw/zinc/09/76/75/447097675.db2.gz LVNFWYZGCPEPFT-GOSISDBHSA-N 2 2 340.475 1.648 20 0 EDADLP COCCC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368848161 447157111 /nfs/dbraw/zinc/15/71/11/447157111.db2.gz UNRJCOUHPHHLPE-OAHLLOKOSA-N 2 2 340.512 1.517 20 0 EDADLP COCCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368848161 447157120 /nfs/dbraw/zinc/15/71/20/447157120.db2.gz UNRJCOUHPHHLPE-OAHLLOKOSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)[nH+]c2c1 ZINC000419416935 447161199 /nfs/dbraw/zinc/16/11/99/447161199.db2.gz AJLJAHROMXJERU-GJZGRUSLSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)[nH+]c2c1 ZINC000419416935 447161209 /nfs/dbraw/zinc/16/12/09/447161209.db2.gz AJLJAHROMXJERU-GJZGRUSLSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O)C2 ZINC000368856701 447161332 /nfs/dbraw/zinc/16/13/32/447161332.db2.gz PZUMWHULGOWHSA-HUUCEWRRSA-N 2 2 332.835 1.846 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O)C2 ZINC000368856702 447162242 /nfs/dbraw/zinc/16/22/42/447162242.db2.gz PZUMWHULGOWHSA-LSDHHAIUSA-N 2 2 332.835 1.846 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1)[NH+](C)C ZINC000455439733 447131240 /nfs/dbraw/zinc/13/12/40/447131240.db2.gz LCIRZHJPDWNFQM-ZDUSSCGKSA-N 2 2 325.482 1.311 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)[NH+](C)C ZINC000455439733 447131246 /nfs/dbraw/zinc/13/12/46/447131246.db2.gz LCIRZHJPDWNFQM-ZDUSSCGKSA-N 2 2 325.482 1.311 20 0 EDADLP C[C@H](CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C[NH+]1CCCC1 ZINC000368821733 447133725 /nfs/dbraw/zinc/13/37/25/447133725.db2.gz BXWNIPGSCDUMST-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2cccc(C3CC3)c2)CN1CC[NH+]1CCOCC1 ZINC000421337820 447135078 /nfs/dbraw/zinc/13/50/78/447135078.db2.gz DFZQFDXQHIGAJX-LJQANCHMSA-N 2 2 343.471 1.587 20 0 EDADLP C[C@@H]1CN(Cc2nc(C(F)F)no2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000425460564 447174568 /nfs/dbraw/zinc/17/45/68/447174568.db2.gz QXXHEBQWTLINHY-LLVKDONJSA-N 2 2 329.395 1.608 20 0 EDADLP C[C@@H]1CN(Cc2nc(C(F)F)no2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000425460564 447174574 /nfs/dbraw/zinc/17/45/74/447174574.db2.gz QXXHEBQWTLINHY-LLVKDONJSA-N 2 2 329.395 1.608 20 0 EDADLP C[C@H]1CN(Cc2nc(C(F)F)no2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000425460565 447174927 /nfs/dbraw/zinc/17/49/27/447174927.db2.gz QXXHEBQWTLINHY-NSHDSACASA-N 2 2 329.395 1.608 20 0 EDADLP C[C@H]1CN(Cc2nc(C(F)F)no2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000425460565 447174933 /nfs/dbraw/zinc/17/49/33/447174933.db2.gz QXXHEBQWTLINHY-NSHDSACASA-N 2 2 329.395 1.608 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)cn21 ZINC000419464143 447199794 /nfs/dbraw/zinc/19/97/94/447199794.db2.gz QRACGTDXVJARGN-CABCVRRESA-N 2 2 345.447 1.239 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)cn21 ZINC000419464143 447199797 /nfs/dbraw/zinc/19/97/97/447199797.db2.gz QRACGTDXVJARGN-CABCVRRESA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372660631 447210584 /nfs/dbraw/zinc/21/05/84/447210584.db2.gz QNSFWYXARUOIIF-KRWDZBQOSA-N 2 2 330.476 1.963 20 0 EDADLP Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372660631 447210593 /nfs/dbraw/zinc/21/05/93/447210593.db2.gz QNSFWYXARUOIIF-KRWDZBQOSA-N 2 2 330.476 1.963 20 0 EDADLP c1nnc([C@@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)[nH]1 ZINC000425546016 447223612 /nfs/dbraw/zinc/22/36/12/447223612.db2.gz KGDJDYTYSXZXKG-QGZVFWFLSA-N 2 2 340.475 1.806 20 0 EDADLP c1nnc([C@@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)[nH]1 ZINC000425546016 447223616 /nfs/dbraw/zinc/22/36/16/447223616.db2.gz KGDJDYTYSXZXKG-QGZVFWFLSA-N 2 2 340.475 1.806 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000372696691 447229843 /nfs/dbraw/zinc/22/98/43/447229843.db2.gz XONSDPRXETXHHF-CVEARBPZSA-N 2 2 349.479 1.340 20 0 EDADLP COC(=O)COc1cccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000414393421 447292945 /nfs/dbraw/zinc/29/29/45/447292945.db2.gz NSSRHXBZQBPRLR-UHFFFAOYSA-N 2 2 332.404 1.328 20 0 EDADLP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000372741032 447262082 /nfs/dbraw/zinc/26/20/82/447262082.db2.gz MOHMDYIHZKNXEY-CQSZACIVSA-N 2 2 342.447 1.938 20 0 EDADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372778208 447281431 /nfs/dbraw/zinc/28/14/31/447281431.db2.gz BALOSISBIYXFLQ-DLBZAZTESA-N 2 2 333.476 1.752 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(c2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000450322129 447454703 /nfs/dbraw/zinc/45/47/03/447454703.db2.gz XHMNHOANFWHKSN-AWEZNQCLSA-N 2 2 343.475 1.977 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(c2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000450322129 447454707 /nfs/dbraw/zinc/45/47/07/447454707.db2.gz XHMNHOANFWHKSN-AWEZNQCLSA-N 2 2 343.475 1.977 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419908902 447483520 /nfs/dbraw/zinc/48/35/20/447483520.db2.gz FLMTUFRZNDINSY-CABCVRRESA-N 2 2 347.463 1.072 20 0 EDADLP CC(=O)[C@@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450470356 447499111 /nfs/dbraw/zinc/49/91/11/447499111.db2.gz ACBOAAPJOHMEBM-IBGZPJMESA-N 3 2 339.524 1.455 20 0 EDADLP CC(=O)[C@@](C)(O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450470356 447499114 /nfs/dbraw/zinc/49/91/14/447499114.db2.gz ACBOAAPJOHMEBM-IBGZPJMESA-N 3 2 339.524 1.455 20 0 EDADLP CC[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCC(F)(F)F ZINC000427256403 447568947 /nfs/dbraw/zinc/56/89/47/447568947.db2.gz KYKXNGXUHHBTNJ-GFCCVEGCSA-N 2 2 332.370 1.836 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCC(F)(F)F ZINC000427256403 447568952 /nfs/dbraw/zinc/56/89/52/447568952.db2.gz KYKXNGXUHHBTNJ-GFCCVEGCSA-N 2 2 332.370 1.836 20 0 EDADLP COCCCN(C(=O)c1cc(C[NH+](C)C)on1)C1CC[NH+](C)CC1 ZINC000427723653 447638215 /nfs/dbraw/zinc/63/82/15/447638215.db2.gz RPLFEFWIWIHNQP-UHFFFAOYSA-N 2 2 338.452 1.309 20 0 EDADLP C[N@H+](CCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000459152564 447596832 /nfs/dbraw/zinc/59/68/32/447596832.db2.gz IZWZRDMLQLNJBW-QGZVFWFLSA-N 2 2 338.496 1.367 20 0 EDADLP C[N@@H+](CCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000459152564 447596835 /nfs/dbraw/zinc/59/68/35/447596835.db2.gz IZWZRDMLQLNJBW-QGZVFWFLSA-N 2 2 338.496 1.367 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000416908646 447704870 /nfs/dbraw/zinc/70/48/70/447704870.db2.gz DSMQRHSWJFTBCD-YOEHRIQHSA-N 2 2 327.432 1.858 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H]1SC ZINC000459410507 447656063 /nfs/dbraw/zinc/65/60/63/447656063.db2.gz ZHLKQVOKIUSAKE-JJXSEGSLSA-N 2 2 343.537 1.428 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H]1SC ZINC000459410507 447656066 /nfs/dbraw/zinc/65/60/66/447656066.db2.gz ZHLKQVOKIUSAKE-JJXSEGSLSA-N 2 2 343.537 1.428 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C[C@H]1C ZINC000422588704 447658264 /nfs/dbraw/zinc/65/82/64/447658264.db2.gz LISOGFPIGCWGDP-CABCVRRESA-N 2 2 332.448 1.256 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C[C@H]1C ZINC000422588704 447658269 /nfs/dbraw/zinc/65/82/69/447658269.db2.gz LISOGFPIGCWGDP-CABCVRRESA-N 2 2 332.448 1.256 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1C ZINC000422626062 447675134 /nfs/dbraw/zinc/67/51/34/447675134.db2.gz DFNMMJQRCDIPLO-WDMOLILDSA-N 2 2 335.448 1.906 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1C ZINC000422626062 447675139 /nfs/dbraw/zinc/67/51/39/447675139.db2.gz DFNMMJQRCDIPLO-WDMOLILDSA-N 2 2 335.448 1.906 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422832911 447763603 /nfs/dbraw/zinc/76/36/03/447763603.db2.gz LSUKDDYDIQXKAF-AZUAARDMSA-N 3 2 330.520 1.782 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(C)(C)CO ZINC000451257753 447716065 /nfs/dbraw/zinc/71/60/65/447716065.db2.gz WFAHEIPZOIFNSZ-UHFFFAOYSA-N 2 2 339.505 1.343 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(C)(C)CO ZINC000451257753 447716069 /nfs/dbraw/zinc/71/60/69/447716069.db2.gz WFAHEIPZOIFNSZ-UHFFFAOYSA-N 2 2 339.505 1.343 20 0 EDADLP CC[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422697161 447718682 /nfs/dbraw/zinc/71/86/82/447718682.db2.gz UBRBETZFKHOWDS-IAGOWNOFSA-N 2 2 332.496 1.109 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(C[NH3+])CC1)CC2 ZINC000422727152 447730826 /nfs/dbraw/zinc/73/08/26/447730826.db2.gz GYBBSRNIUCIYAD-UHFFFAOYSA-N 2 2 347.459 1.259 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(C[NH3+])CC1)CC2 ZINC000422727152 447730828 /nfs/dbraw/zinc/73/08/28/447730828.db2.gz GYBBSRNIUCIYAD-UHFFFAOYSA-N 2 2 347.459 1.259 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459662123 447734143 /nfs/dbraw/zinc/73/41/43/447734143.db2.gz NIVLYVASZYRZMX-CYBMUJFWSA-N 2 2 326.400 1.627 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000459656737 447734757 /nfs/dbraw/zinc/73/47/57/447734757.db2.gz HRZPEQXBZCRLNS-UHFFFAOYSA-N 3 2 327.476 1.894 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417266699 447739793 /nfs/dbraw/zinc/73/97/93/447739793.db2.gz FNBBFVLXRYCDAY-TZMCWYRMSA-N 2 2 331.395 1.890 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000422774937 447747010 /nfs/dbraw/zinc/74/70/10/447747010.db2.gz ZABIEQBXODKJFT-INIZCTEOSA-N 2 2 347.459 1.272 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000422774937 447747011 /nfs/dbraw/zinc/74/70/11/447747011.db2.gz ZABIEQBXODKJFT-INIZCTEOSA-N 2 2 347.459 1.272 20 0 EDADLP CC(C)CO[C@@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496345772 447758275 /nfs/dbraw/zinc/75/82/75/447758275.db2.gz OCLZRFPSFPVSKX-SJLPKXTDSA-N 2 2 337.464 1.607 20 0 EDADLP CC(C)CO[C@@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496345772 447758278 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2 2 346.880 1.470 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1)C1CC1 ZINC000430595822 447782384 /nfs/dbraw/zinc/78/23/84/447782384.db2.gz YTEYLDNLJKRXQA-GOSISDBHSA-N 2 2 327.432 1.206 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000422968877 447783401 /nfs/dbraw/zinc/78/34/01/447783401.db2.gz SKMFXUCEYGSOSN-JCGIZDLHSA-N 2 2 346.475 1.490 20 0 EDADLP O=C(COC1C[NH2+]C1)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000431021977 447789598 /nfs/dbraw/zinc/78/95/98/447789598.db2.gz BPPRQRVFFSCPBQ-UHFFFAOYSA-N 2 2 328.416 1.121 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423101065 447805117 /nfs/dbraw/zinc/80/51/17/447805117.db2.gz HWJCXQWAOJDFIW-OWCLPIDISA-N 2 2 339.867 1.826 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1c[nH+]ccc1N ZINC000423105449 447806118 /nfs/dbraw/zinc/80/61/18/447806118.db2.gz NIYMZKGJMCJVBY-QWQRMKEZSA-N 3 2 328.464 1.961 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1c[nH+]ccc1N ZINC000423105449 447806119 /nfs/dbraw/zinc/80/61/19/447806119.db2.gz NIYMZKGJMCJVBY-QWQRMKEZSA-N 3 2 328.464 1.961 20 0 EDADLP COCCCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000423103542 447806129 /nfs/dbraw/zinc/80/61/29/447806129.db2.gz LCEHARPUPFVEMI-RTBURBONSA-N 2 2 334.460 1.959 20 0 EDADLP CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000423114840 447808458 /nfs/dbraw/zinc/80/84/58/447808458.db2.gz ZZTOAHARPZUFFQ-DZGCQCFKSA-N 2 2 326.462 1.337 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000471714417 447811455 /nfs/dbraw/zinc/81/14/55/447811455.db2.gz PQAXKMVOPYSMSS-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000471714417 447811456 /nfs/dbraw/zinc/81/14/56/447811456.db2.gz PQAXKMVOPYSMSS-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000496620364 447834469 /nfs/dbraw/zinc/83/44/69/447834469.db2.gz BHYPIZQYAIYCKY-YJBOKZPZSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000496620364 447834471 /nfs/dbraw/zinc/83/44/71/447834471.db2.gz BHYPIZQYAIYCKY-YJBOKZPZSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000496744177 447873969 /nfs/dbraw/zinc/87/39/69/447873969.db2.gz HJBJVISIVRRVFS-BZUAXINKSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000496744177 447873974 /nfs/dbraw/zinc/87/39/74/447873974.db2.gz HJBJVISIVRRVFS-BZUAXINKSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523376955 447882878 /nfs/dbraw/zinc/88/28/78/447882878.db2.gz QYFQFTIZQNDJTA-GJZGRUSLSA-N 2 2 342.447 1.760 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H]3C[N@@H+](C)C[C@H]31)CCC2 ZINC000575798572 447899792 /nfs/dbraw/zinc/89/97/92/447899792.db2.gz RLJWSWFXWKDNFI-HRCADAONSA-N 2 2 331.464 1.805 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@H]3C[N@H+](C)C[C@H]31)CCC2 ZINC000575798572 447899800 /nfs/dbraw/zinc/89/98/00/447899800.db2.gz RLJWSWFXWKDNFI-HRCADAONSA-N 2 2 331.464 1.805 20 0 EDADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(O)c1 ZINC000569890597 447909028 /nfs/dbraw/zinc/90/90/28/447909028.db2.gz NSEBUHJCWBUWRC-UHFFFAOYSA-N 2 2 327.432 1.566 20 0 EDADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(O)c1 ZINC000569890597 447909035 /nfs/dbraw/zinc/90/90/35/447909035.db2.gz NSEBUHJCWBUWRC-UHFFFAOYSA-N 2 2 327.432 1.566 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000576000329 447948210 /nfs/dbraw/zinc/94/82/10/447948210.db2.gz KEMDPIQLLYBFQK-UHFFFAOYSA-N 2 2 327.432 1.320 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000576000329 447948216 /nfs/dbraw/zinc/94/82/16/447948216.db2.gz KEMDPIQLLYBFQK-UHFFFAOYSA-N 2 2 327.432 1.320 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000496830814 447949965 /nfs/dbraw/zinc/94/99/65/447949965.db2.gz VHUZNHRNIVJPRS-GJZGRUSLSA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000496830814 447949967 /nfs/dbraw/zinc/94/99/67/447949967.db2.gz VHUZNHRNIVJPRS-GJZGRUSLSA-N 2 2 327.469 1.432 20 0 EDADLP O=C1[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCN1c1ccccc1F ZINC000570173648 447958951 /nfs/dbraw/zinc/95/89/51/447958951.db2.gz NDUKCBXSKRQZCR-MRXNPFEDSA-N 2 2 343.406 1.866 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496791505 447916135 /nfs/dbraw/zinc/91/61/35/447916135.db2.gz FWRFLNSYXBHBLG-UHFFFAOYSA-N 2 2 327.469 1.290 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496791505 447916136 /nfs/dbraw/zinc/91/61/36/447916136.db2.gz FWRFLNSYXBHBLG-UHFFFAOYSA-N 2 2 327.469 1.290 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000570009456 447932905 /nfs/dbraw/zinc/93/29/05/447932905.db2.gz QIKCYPIFXOBVSL-UHFFFAOYSA-N 2 2 329.404 1.216 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000524492769 447933368 /nfs/dbraw/zinc/93/33/68/447933368.db2.gz JEWFGRZXWPQGLZ-KRWDZBQOSA-N 2 2 339.443 1.967 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000524492769 447933373 /nfs/dbraw/zinc/93/33/73/447933373.db2.gz JEWFGRZXWPQGLZ-KRWDZBQOSA-N 2 2 339.443 1.967 20 0 EDADLP C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576134216 447981262 /nfs/dbraw/zinc/98/12/62/447981262.db2.gz WLBWTZUBKDBGJS-HFTRVMKXSA-N 2 2 330.476 1.984 20 0 EDADLP C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576134216 447981264 /nfs/dbraw/zinc/98/12/64/447981264.db2.gz WLBWTZUBKDBGJS-HFTRVMKXSA-N 2 2 330.476 1.984 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)CS(C)(=O)=O)c2cc1C ZINC000553261691 447983459 /nfs/dbraw/zinc/98/34/59/447983459.db2.gz PACGERMWUQAHIE-ZIAGYGMSSA-N 2 2 339.461 1.037 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211271 447999228 /nfs/dbraw/zinc/99/92/28/447999228.db2.gz NSGBLBRUEDPUEC-BPQIPLTHSA-N 2 2 346.475 1.327 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211271 447999235 /nfs/dbraw/zinc/99/92/35/447999235.db2.gz NSGBLBRUEDPUEC-BPQIPLTHSA-N 2 2 346.475 1.327 20 0 EDADLP COC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000576254536 448012352 /nfs/dbraw/zinc/01/23/52/448012352.db2.gz MEWRDEOSPAZOKN-CABCVRRESA-N 2 2 340.855 1.312 20 0 EDADLP COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000576254536 448012359 /nfs/dbraw/zinc/01/23/59/448012359.db2.gz MEWRDEOSPAZOKN-CABCVRRESA-N 2 2 340.855 1.312 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ncccc1O ZINC000576313508 448024355 /nfs/dbraw/zinc/02/43/55/448024355.db2.gz HGPSCHBGHCPQCP-KBPBESRZSA-N 2 2 333.411 1.565 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ncccc1O ZINC000576313508 448024359 /nfs/dbraw/zinc/02/43/59/448024359.db2.gz HGPSCHBGHCPQCP-KBPBESRZSA-N 2 2 333.411 1.565 20 0 EDADLP COCC[N@H+](C)CC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496984350 448097615 /nfs/dbraw/zinc/09/76/15/448097615.db2.gz SUZBFROLUIYMFS-RHSMWYFYSA-N 2 2 327.469 1.411 20 0 EDADLP COCC[N@@H+](C)CC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496984350 448097624 /nfs/dbraw/zinc/09/76/24/448097624.db2.gz SUZBFROLUIYMFS-RHSMWYFYSA-N 2 2 327.469 1.411 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000571058423 448103247 /nfs/dbraw/zinc/10/32/47/448103247.db2.gz VWEUIABGGPKALY-INIZCTEOSA-N 2 2 342.443 1.925 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000571058423 448103252 /nfs/dbraw/zinc/10/32/52/448103252.db2.gz VWEUIABGGPKALY-INIZCTEOSA-N 2 2 342.443 1.925 20 0 EDADLP C[C@@H](C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000497051438 448157172 /nfs/dbraw/zinc/15/71/72/448157172.db2.gz CGJQOTFCKVKUSB-AWEZNQCLSA-N 2 2 341.496 1.726 20 0 EDADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000576927862 448171267 /nfs/dbraw/zinc/17/12/67/448171267.db2.gz GVKAVDZUHPQGGR-QLPKVWCKSA-N 2 2 325.416 1.143 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000514775046 448200279 /nfs/dbraw/zinc/20/02/79/448200279.db2.gz VYMMMMFPHZJXDN-CYBMUJFWSA-N 2 2 329.404 1.073 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000571890601 448228367 /nfs/dbraw/zinc/22/83/67/448228367.db2.gz QIGIRKMKRBSZKM-ZDUSSCGKSA-N 2 2 348.838 1.632 20 0 EDADLP Cc1ccccc1OCCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577215688 448237879 /nfs/dbraw/zinc/23/78/79/448237879.db2.gz ILIQXTHJELQWJN-FGTMMUONSA-N 2 2 336.476 1.824 20 0 EDADLP Cc1ccccc1OCCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577215688 448237885 /nfs/dbraw/zinc/23/78/85/448237885.db2.gz ILIQXTHJELQWJN-FGTMMUONSA-N 2 2 336.476 1.824 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000582475531 448247128 /nfs/dbraw/zinc/24/71/28/448247128.db2.gz SBTTZBWZBHUKPU-GOSISDBHSA-N 2 2 339.443 1.967 20 0 EDADLP CC[NH+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000492722416 448267316 /nfs/dbraw/zinc/26/73/16/448267316.db2.gz GSAZOGYYIQAIES-UHFFFAOYSA-N 2 2 326.485 1.177 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)C[C@@H](C)O1 ZINC000572029596 448267576 /nfs/dbraw/zinc/26/75/76/448267576.db2.gz QDMSDAIBFDRSQD-YKXHTNLXSA-N 2 2 348.487 1.966 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000591144168 448270579 /nfs/dbraw/zinc/27/05/79/448270579.db2.gz WPPXSWZVRKOHMA-UHFFFAOYSA-N 2 2 327.432 1.839 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(c3c[nH+]ccc3C)CC1)CC2 ZINC000582491313 448254453 /nfs/dbraw/zinc/25/44/53/448254453.db2.gz ZVRBDWGYXVNGBR-INIZCTEOSA-N 2 2 339.443 1.806 20 0 EDADLP C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)[NH+]1CC(C)C1 ZINC000515069636 448255104 /nfs/dbraw/zinc/25/51/04/448255104.db2.gz JRFZHJSGDOLPNX-OWCLPIDISA-N 2 2 346.475 1.652 20 0 EDADLP CC[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C1CCOCC1 ZINC000532499938 448266647 /nfs/dbraw/zinc/26/66/47/448266647.db2.gz HKPZTWIJTMADLC-SFHVURJKSA-N 2 2 327.513 1.171 20 0 EDADLP CCOC(=O)c1c(F)cccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000591296410 448310695 /nfs/dbraw/zinc/31/06/95/448310695.db2.gz IJPQRGSTZOAYBE-NSHDSACASA-N 2 2 338.383 1.109 20 0 EDADLP CCOC(=O)c1c(F)cccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000591296410 448310700 /nfs/dbraw/zinc/31/07/00/448310700.db2.gz IJPQRGSTZOAYBE-NSHDSACASA-N 2 2 338.383 1.109 20 0 EDADLP O=C(C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000516047993 448371808 /nfs/dbraw/zinc/37/18/08/448371808.db2.gz AHPKPSUTSXFADH-IBGZPJMESA-N 2 2 339.439 1.634 20 0 EDADLP O=C(C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000516047993 448371812 /nfs/dbraw/zinc/37/18/12/448371812.db2.gz AHPKPSUTSXFADH-IBGZPJMESA-N 2 2 339.439 1.634 20 0 EDADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572364823 448359057 /nfs/dbraw/zinc/35/90/57/448359057.db2.gz VEHZDSSWFNUNGX-YYIAUSFCSA-N 2 2 325.497 1.565 20 0 EDADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572364823 448359062 /nfs/dbraw/zinc/35/90/62/448359062.db2.gz VEHZDSSWFNUNGX-YYIAUSFCSA-N 2 2 325.497 1.565 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000577766804 448383200 /nfs/dbraw/zinc/38/32/00/448383200.db2.gz KDAGLSOMXPJHKT-NEPJUHHUSA-N 2 2 348.369 1.293 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000577766804 448383206 /nfs/dbraw/zinc/38/32/06/448383206.db2.gz KDAGLSOMXPJHKT-NEPJUHHUSA-N 2 2 348.369 1.293 20 0 EDADLP CSC1(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[NH+](C)CC1 ZINC000582997510 448397768 /nfs/dbraw/zinc/39/77/68/448397768.db2.gz CSRQORYPAWPKDI-LBPRGKRZSA-N 2 2 337.493 1.394 20 0 EDADLP CSC1(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[NH+](C)CC1 ZINC000582997510 448397774 /nfs/dbraw/zinc/39/77/74/448397774.db2.gz CSRQORYPAWPKDI-LBPRGKRZSA-N 2 2 337.493 1.394 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)C[C@H](C)O1 ZINC000577858913 448404141 /nfs/dbraw/zinc/40/41/41/448404141.db2.gz DEOIHVRNYRGFPA-SOLBZPMBSA-N 2 2 348.491 1.242 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)C[C@H](C)O1 ZINC000577858913 448404144 /nfs/dbraw/zinc/40/41/44/448404144.db2.gz DEOIHVRNYRGFPA-SOLBZPMBSA-N 2 2 348.491 1.242 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000566179569 448405254 /nfs/dbraw/zinc/40/52/54/448405254.db2.gz OLXDJNXXFAEUEF-ZDUSSCGKSA-N 2 2 326.466 1.149 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000577861679 448406147 /nfs/dbraw/zinc/40/61/47/448406147.db2.gz JRVDVOYXDAGSGM-INIZCTEOSA-N 2 2 347.507 1.418 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[C@H](C)O1 ZINC000577741741 448374452 /nfs/dbraw/zinc/37/44/52/448374452.db2.gz YZOIPJYQKXNFDP-ZHCJQAHYSA-N 2 2 344.521 1.101 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[C@H](C)O1 ZINC000577741741 448374457 /nfs/dbraw/zinc/37/44/57/448374457.db2.gz YZOIPJYQKXNFDP-ZHCJQAHYSA-N 2 2 344.521 1.101 20 0 EDADLP [NH3+]Cc1nc(CN2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)no1 ZINC000516066086 448375966 /nfs/dbraw/zinc/37/59/66/448375966.db2.gz NCBYOZXOOPBLSI-UHFFFAOYSA-N 2 2 328.351 1.411 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000591634526 448421179 /nfs/dbraw/zinc/42/11/79/448421179.db2.gz WRHWXTHPRCPZLL-HRCADAONSA-N 2 2 335.452 1.339 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NCC[N@@H+]1CCCOCC1)C(F)(F)F ZINC000577962230 448428769 /nfs/dbraw/zinc/42/87/69/448428769.db2.gz OJSUDBAWNJWPOL-LBPRGKRZSA-N 2 2 348.369 1.295 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NCC[N@H+]1CCCOCC1)C(F)(F)F ZINC000577962230 448428776 /nfs/dbraw/zinc/42/87/76/448428776.db2.gz OJSUDBAWNJWPOL-LBPRGKRZSA-N 2 2 348.369 1.295 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000516570638 448441361 /nfs/dbraw/zinc/44/13/61/448441361.db2.gz CXCKYYVYCUNZEG-LJQANCHMSA-N 2 2 331.460 1.777 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000516570638 448441364 /nfs/dbraw/zinc/44/13/64/448441364.db2.gz CXCKYYVYCUNZEG-LJQANCHMSA-N 2 2 331.460 1.777 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000528143384 448445213 /nfs/dbraw/zinc/44/52/13/448445213.db2.gz ZOURVNZBJURUHM-LBPRGKRZSA-N 2 2 333.823 2.407 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000528143384 448445214 /nfs/dbraw/zinc/44/52/14/448445214.db2.gz ZOURVNZBJURUHM-LBPRGKRZSA-N 2 2 333.823 2.407 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1c1ccccc1F ZINC000572712679 448445797 /nfs/dbraw/zinc/44/57/97/448445797.db2.gz QJZBQFUMEFQRJR-XCRHUMRWSA-N 2 2 333.407 1.288 20 0 EDADLP CSC1(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)CC[NH+](C)CC1 ZINC000584264812 448475527 /nfs/dbraw/zinc/47/55/27/448475527.db2.gz URZAOEXDUMASFY-UHFFFAOYSA-N 2 2 338.525 2.300 20 0 EDADLP CSC1(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)CC[NH+](C)CC1 ZINC000584264812 448475533 /nfs/dbraw/zinc/47/55/33/448475533.db2.gz URZAOEXDUMASFY-UHFFFAOYSA-N 2 2 338.525 2.300 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572855364 448482043 /nfs/dbraw/zinc/48/20/43/448482043.db2.gz NWPXTGGAQIGMSM-NXHRZFHOSA-N 2 2 346.475 1.185 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572855364 448482045 /nfs/dbraw/zinc/48/20/45/448482045.db2.gz NWPXTGGAQIGMSM-NXHRZFHOSA-N 2 2 346.475 1.185 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000528317398 448486412 /nfs/dbraw/zinc/48/64/12/448486412.db2.gz VLKXCTLQBBRTON-AFIMGQEJSA-N 2 2 337.508 1.721 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000572976967 448513167 /nfs/dbraw/zinc/51/31/67/448513167.db2.gz SEMSMUXGNMQPBI-LSDHHAIUSA-N 2 2 331.464 1.860 20 0 EDADLP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)Cn2cc[nH+]c2)CC1 ZINC000573055444 448528351 /nfs/dbraw/zinc/52/83/51/448528351.db2.gz YHTLLEGJXGEWSC-UHFFFAOYSA-N 2 2 341.415 1.300 20 0 EDADLP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)Cn2cc[nH+]c2)CC1 ZINC000573055444 448528356 /nfs/dbraw/zinc/52/83/56/448528356.db2.gz YHTLLEGJXGEWSC-UHFFFAOYSA-N 2 2 341.415 1.300 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566856154 448572871 /nfs/dbraw/zinc/57/28/71/448572871.db2.gz OTFQFKLHVIHQEQ-LIRRHRJNSA-N 2 2 344.459 1.449 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566856154 448572875 /nfs/dbraw/zinc/57/28/75/448572875.db2.gz OTFQFKLHVIHQEQ-LIRRHRJNSA-N 2 2 344.459 1.449 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1C[NH2+]CCO1 ZINC000517337584 448573500 /nfs/dbraw/zinc/57/35/00/448573500.db2.gz HGEHEYOVWRYRLE-GOSISDBHSA-N 2 2 346.475 1.460 20 0 EDADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccn1 ZINC000573220131 448574479 /nfs/dbraw/zinc/57/44/79/448574479.db2.gz YXZVMEAURVPZOT-HOCLYGCPSA-N 2 2 334.464 1.684 20 0 EDADLP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccn1 ZINC000573220131 448574482 /nfs/dbraw/zinc/57/44/82/448574482.db2.gz YXZVMEAURVPZOT-HOCLYGCPSA-N 2 2 334.464 1.684 20 0 EDADLP C[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000567060096 448608003 /nfs/dbraw/zinc/60/80/03/448608003.db2.gz ODUPCHKQHMFHHM-IEBWSBKVSA-N 2 2 345.487 1.386 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2cc1C ZINC000566916352 448585039 /nfs/dbraw/zinc/58/50/39/448585039.db2.gz ZWPVNEDVQITMHX-IAGOWNOFSA-N 3 2 346.475 1.060 20 0 EDADLP CC[C@H](O)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000573294451 448589251 /nfs/dbraw/zinc/58/92/51/448589251.db2.gz ZOEPSJUENZUQOK-OKZBNKHCSA-N 2 2 339.524 1.943 20 0 EDADLP CC[C@H](O)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000573294451 448589258 /nfs/dbraw/zinc/58/92/58/448589258.db2.gz ZOEPSJUENZUQOK-OKZBNKHCSA-N 2 2 339.524 1.943 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)s1 ZINC000578617460 448594420 /nfs/dbraw/zinc/59/44/20/448594420.db2.gz VOZHNANNCSSIBC-MFKMUULPSA-N 2 2 331.507 1.231 20 0 EDADLP CC[NH+]1CCN(c2ccc(CNc3nc(C)[nH+]cc3C)cn2)CC1 ZINC000517586770 448597559 /nfs/dbraw/zinc/59/75/59/448597559.db2.gz UQDBOBREBDZVBA-UHFFFAOYSA-N 2 2 326.448 2.242 20 0 EDADLP CCOC[C@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000528718630 448642897 /nfs/dbraw/zinc/64/28/97/448642897.db2.gz HLZASHXPJSZBQY-DLBZAZTESA-N 2 2 347.459 1.751 20 0 EDADLP CCOC[C@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000528718630 448642903 /nfs/dbraw/zinc/64/29/03/448642903.db2.gz HLZASHXPJSZBQY-DLBZAZTESA-N 2 2 347.459 1.751 20 0 EDADLP C[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](c2ccccc2)C1 ZINC000540901344 448652116 /nfs/dbraw/zinc/65/21/16/448652116.db2.gz UNCFLRVLEXNXEL-AEFFLSMTSA-N 2 2 338.455 1.976 20 0 EDADLP C[N@H+]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](c2ccccc2)C1 ZINC000540901344 448652119 /nfs/dbraw/zinc/65/21/19/448652119.db2.gz UNCFLRVLEXNXEL-AEFFLSMTSA-N 2 2 338.455 1.976 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccnc2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000578859174 448653187 /nfs/dbraw/zinc/65/31/87/448653187.db2.gz NDSVQLQJYPSPKA-HNNXBMFYSA-N 2 2 325.416 1.855 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccnc2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000578859174 448653194 /nfs/dbraw/zinc/65/31/94/448653194.db2.gz NDSVQLQJYPSPKA-HNNXBMFYSA-N 2 2 325.416 1.855 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1C ZINC000518349320 448667275 /nfs/dbraw/zinc/66/72/75/448667275.db2.gz DCFJPZVIPHZNIN-UHFFFAOYSA-N 2 2 345.447 1.886 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(c3ccccn3)CCC2)C[C@@H](C)O1 ZINC000518364135 448668995 /nfs/dbraw/zinc/66/89/95/448668995.db2.gz NIQLKQFTUZSQKT-ZACQAIPSSA-N 2 2 333.476 1.563 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2(c3ccccn3)CCC2)C[C@H](C)O1 ZINC000518364132 448669434 /nfs/dbraw/zinc/66/94/34/448669434.db2.gz NIQLKQFTUZSQKT-BBWFWOEESA-N 2 2 333.476 1.563 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2(c3ccccn3)CCC2)C[C@H](C)O1 ZINC000518364132 448669439 /nfs/dbraw/zinc/66/94/39/448669439.db2.gz NIQLKQFTUZSQKT-BBWFWOEESA-N 2 2 333.476 1.563 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000573446288 448630324 /nfs/dbraw/zinc/63/03/24/448630324.db2.gz VXPRLCGXKDFZHZ-QLFBSQMISA-N 3 2 331.464 1.111 20 0 EDADLP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)C1 ZINC000567209427 448636020 /nfs/dbraw/zinc/63/60/20/448636020.db2.gz AMKCKPNWUAYOSZ-ZJOBFFGXSA-N 2 2 331.464 1.639 20 0 EDADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)C1 ZINC000567209427 448636023 /nfs/dbraw/zinc/63/60/23/448636023.db2.gz AMKCKPNWUAYOSZ-ZJOBFFGXSA-N 2 2 331.464 1.639 20 0 EDADLP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)C1 ZINC000567209427 448636026 /nfs/dbraw/zinc/63/60/26/448636026.db2.gz AMKCKPNWUAYOSZ-ZJOBFFGXSA-N 2 2 331.464 1.639 20 0 EDADLP CC(C)Oc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1Cl ZINC000567408049 448688235 /nfs/dbraw/zinc/68/82/35/448688235.db2.gz UZJLMQHLFIHCGZ-HIFRSBDPSA-N 2 2 337.851 1.871 20 0 EDADLP CC(C)Oc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1Cl ZINC000567408049 448688238 /nfs/dbraw/zinc/68/82/38/448688238.db2.gz UZJLMQHLFIHCGZ-HIFRSBDPSA-N 2 2 337.851 1.871 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000519109138 448741850 /nfs/dbraw/zinc/74/18/50/448741850.db2.gz VGTKGTFMUDSACO-NVXWUHKLSA-N 2 2 331.464 1.564 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000519109138 448741854 /nfs/dbraw/zinc/74/18/54/448741854.db2.gz VGTKGTFMUDSACO-NVXWUHKLSA-N 2 2 331.464 1.564 20 0 EDADLP COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579216004 448742095 /nfs/dbraw/zinc/74/20/95/448742095.db2.gz ZISIOTFREWCEKC-HZPDHXFCSA-N 2 2 346.475 1.399 20 0 EDADLP COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579216004 448742102 /nfs/dbraw/zinc/74/21/02/448742102.db2.gz ZISIOTFREWCEKC-HZPDHXFCSA-N 2 2 346.475 1.399 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000579439519 448791792 /nfs/dbraw/zinc/79/17/92/448791792.db2.gz OPMDIHQSBRLGLR-CABCVRRESA-N 2 2 335.452 1.346 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@H](C)C1 ZINC000574119364 448794143 /nfs/dbraw/zinc/79/41/43/448794143.db2.gz LIIVKEGTOAHGFU-UKRRQHHQSA-N 2 2 343.431 1.462 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@H](C)C1 ZINC000574119364 448794146 /nfs/dbraw/zinc/79/41/46/448794146.db2.gz LIIVKEGTOAHGFU-UKRRQHHQSA-N 2 2 343.431 1.462 20 0 EDADLP O=C1C[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162989 448824759 /nfs/dbraw/zinc/82/47/59/448824759.db2.gz MGISCQZSJOHMOG-IKGGRYGDSA-N 2 2 327.428 1.388 20 0 EDADLP O=C1C[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162989 448824762 /nfs/dbraw/zinc/82/47/62/448824762.db2.gz MGISCQZSJOHMOG-IKGGRYGDSA-N 2 2 327.428 1.388 20 0 EDADLP O=C1C[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162989 448824769 /nfs/dbraw/zinc/82/47/69/448824769.db2.gz MGISCQZSJOHMOG-IKGGRYGDSA-N 2 2 327.428 1.388 20 0 EDADLP O=C1C[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000568162989 448824775 /nfs/dbraw/zinc/82/47/75/448824775.db2.gz MGISCQZSJOHMOG-IKGGRYGDSA-N 2 2 327.428 1.388 20 0 EDADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000519733377 448829575 /nfs/dbraw/zinc/82/95/75/448829575.db2.gz YDZFYDQSVANYRM-OXJNMPFZSA-N 2 2 345.487 1.895 20 0 EDADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000519733377 448829581 /nfs/dbraw/zinc/82/95/81/448829581.db2.gz YDZFYDQSVANYRM-OXJNMPFZSA-N 2 2 345.487 1.895 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](C)[NH2+]C3CC3)CCCC2)no1 ZINC000568273973 448848228 /nfs/dbraw/zinc/84/82/28/448848228.db2.gz PEGHBONPHFGQDA-ZDUSSCGKSA-N 2 2 349.479 1.937 20 0 EDADLP C[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)n1cc[nH+]c1 ZINC000574404600 448866663 /nfs/dbraw/zinc/86/66/63/448866663.db2.gz PQVSKXHQIXPSEW-OAHLLOKOSA-N 2 2 342.447 1.297 20 0 EDADLP O[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000520219001 448872090 /nfs/dbraw/zinc/87/20/90/448872090.db2.gz LZHKESMZVKPSAF-RBUKOAKNSA-N 2 2 348.487 1.797 20 0 EDADLP O[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000520219001 448872093 /nfs/dbraw/zinc/87/20/93/448872093.db2.gz LZHKESMZVKPSAF-RBUKOAKNSA-N 2 2 348.487 1.797 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)nnn3C)CCO1 ZINC000548020953 448967770 /nfs/dbraw/zinc/96/77/70/448967770.db2.gz GZZCUEODFYTJOC-GUYCJALGSA-N 2 2 326.404 1.712 20 0 EDADLP Cc1csc([C@H](C)C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000521614296 449000848 /nfs/dbraw/zinc/00/08/48/449000848.db2.gz GZUWJWMZSCBTOX-UNQGMJICSA-N 2 2 327.494 1.615 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000548327986 449020798 /nfs/dbraw/zinc/02/07/98/449020798.db2.gz YJWZJWHHKNKNJW-IAGOWNOFSA-N 2 2 340.427 1.215 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000548327986 449020802 /nfs/dbraw/zinc/02/08/02/449020802.db2.gz YJWZJWHHKNKNJW-IAGOWNOFSA-N 2 2 340.427 1.215 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000521877100 449022453 /nfs/dbraw/zinc/02/24/53/449022453.db2.gz XMWKVNSODJJOKT-WMLDXEAASA-N 2 2 344.459 1.287 20 0 EDADLP CCCOc1cccc2c(N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc[nH+]c12 ZINC000582191973 449036160 /nfs/dbraw/zinc/03/61/60/449036160.db2.gz SIFVUASACALUOZ-UKRRQHHQSA-N 2 2 340.427 1.772 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000582184064 449032036 /nfs/dbraw/zinc/03/20/36/449032036.db2.gz KJXPGZWFYLEZPE-RDJZCZTQSA-N 2 2 334.464 1.405 20 0 EDADLP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000530217062 449084550 /nfs/dbraw/zinc/08/45/50/449084550.db2.gz DWTDSIZXNNKOSE-QZTJIDSGSA-N 2 2 349.450 1.279 20 0 EDADLP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000530217062 449084555 /nfs/dbraw/zinc/08/45/55/449084555.db2.gz DWTDSIZXNNKOSE-QZTJIDSGSA-N 2 2 349.450 1.279 20 0 EDADLP Cc1ncncc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000569623041 449059643 /nfs/dbraw/zinc/05/96/43/449059643.db2.gz KHJFJHAOARWRCL-OAHLLOKOSA-N 2 2 341.463 1.438 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC2CC(OCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000575235934 449066066 /nfs/dbraw/zinc/06/60/66/449066066.db2.gz SSVSWCOUNGHWGA-AQFXKWCLSA-N 2 2 332.448 1.019 20 0 EDADLP C[N@H+]1CCN(C(=O)NC2CC(OCc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000575235934 449066073 /nfs/dbraw/zinc/06/60/73/449066073.db2.gz SSVSWCOUNGHWGA-AQFXKWCLSA-N 2 2 332.448 1.019 20 0 EDADLP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000593595752 449097158 /nfs/dbraw/zinc/09/71/58/449097158.db2.gz IQHATENZZKCIEZ-HZPDHXFCSA-N 2 2 327.513 1.970 20 0 EDADLP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000593595752 449097164 /nfs/dbraw/zinc/09/71/64/449097164.db2.gz IQHATENZZKCIEZ-HZPDHXFCSA-N 2 2 327.513 1.970 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(Cc2cc(OC(C)C)cc[nH+]2)[C@H](C)C1 ZINC000593019403 449104606 /nfs/dbraw/zinc/10/46/06/449104606.db2.gz AVBWXTYLQGLWBU-OAHLLOKOSA-N 2 2 335.448 1.938 20 0 EDADLP COC(=O)CC[N@H+]1CCN(Cc2cc(OC(C)C)cc[nH+]2)[C@H](C)C1 ZINC000593019403 449104611 /nfs/dbraw/zinc/10/46/11/449104611.db2.gz AVBWXTYLQGLWBU-OAHLLOKOSA-N 2 2 335.448 1.938 20 0 EDADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000595848731 449204912 /nfs/dbraw/zinc/20/49/12/449204912.db2.gz PARMZDJSYJNNSI-OWCLPIDISA-N 2 2 345.443 1.897 20 0 EDADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000595848731 449204920 /nfs/dbraw/zinc/20/49/20/449204920.db2.gz PARMZDJSYJNNSI-OWCLPIDISA-N 2 2 345.443 1.897 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(O)cc3)C2)CC1 ZINC000604166454 449184008 /nfs/dbraw/zinc/18/40/08/449184008.db2.gz WTXMCHGDNHZCPA-HNNXBMFYSA-N 2 2 332.448 1.360 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(O)cc3)C2)CC1 ZINC000604166454 449184014 /nfs/dbraw/zinc/18/40/14/449184014.db2.gz WTXMCHGDNHZCPA-HNNXBMFYSA-N 2 2 332.448 1.360 20 0 EDADLP C[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C)CC1 ZINC000604374872 449218777 /nfs/dbraw/zinc/21/87/77/449218777.db2.gz YXXUOPIOACSHBR-HNNXBMFYSA-N 2 2 327.432 1.124 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000590851507 449320042 /nfs/dbraw/zinc/32/00/42/449320042.db2.gz ORQFDWQXKXKETF-CVEARBPZSA-N 2 2 343.431 1.075 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC000602204505 449432376 /nfs/dbraw/zinc/43/23/76/449432376.db2.gz KXZHFWTTZLXRFP-CYBMUJFWSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC000602204505 449432381 /nfs/dbraw/zinc/43/23/81/449432381.db2.gz KXZHFWTTZLXRFP-CYBMUJFWSA-N 2 2 327.432 1.461 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000596144879 449384611 /nfs/dbraw/zinc/38/46/11/449384611.db2.gz KXHFMEGHSRPJRI-UHFFFAOYSA-N 2 2 347.459 1.878 20 0 EDADLP COC(=O)Cc1cc[nH+]c(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000596156694 449388137 /nfs/dbraw/zinc/38/81/37/449388137.db2.gz RGVHOQRXPHASOU-HUUCEWRRSA-N 2 2 335.448 2.098 20 0 EDADLP CS[C@@H]1CCC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000596319693 449472985 /nfs/dbraw/zinc/47/29/85/449472985.db2.gz ZQTNTNUVEPMJPI-LSDHHAIUSA-N 2 2 330.542 1.843 20 0 EDADLP CS[C@@H]1CCC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000596319693 449472989 /nfs/dbraw/zinc/47/29/89/449472989.db2.gz ZQTNTNUVEPMJPI-LSDHHAIUSA-N 2 2 330.542 1.843 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)nc1 ZINC000600724727 449519780 /nfs/dbraw/zinc/51/97/80/449519780.db2.gz ZMJRAPJGLXNTOC-WCQYABFASA-N 2 2 331.338 1.827 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)nc1 ZINC000600724727 449519782 /nfs/dbraw/zinc/51/97/82/449519782.db2.gz ZMJRAPJGLXNTOC-WCQYABFASA-N 2 2 331.338 1.827 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[C@@H]([NH+]3CCOCC3)CC1)C2 ZINC000614451727 449618704 /nfs/dbraw/zinc/61/87/04/449618704.db2.gz QZMBNMFTDTYJLM-IAGOWNOFSA-N 2 2 346.475 1.467 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]c1C ZINC000602533142 449656506 /nfs/dbraw/zinc/65/65/06/449656506.db2.gz OHLORPKVGYNRTB-UHFFFAOYSA-N 3 2 348.491 1.758 20 0 EDADLP CCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OCC ZINC000594738154 449658815 /nfs/dbraw/zinc/65/88/15/449658815.db2.gz AYRWPVDIHPLXOV-JKSUJKDBSA-N 2 2 347.459 1.618 20 0 EDADLP CCCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OCC ZINC000594738154 449658817 /nfs/dbraw/zinc/65/88/17/449658817.db2.gz AYRWPVDIHPLXOV-JKSUJKDBSA-N 2 2 347.459 1.618 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(Cl)ccc3OCC3CC3)CCN2C1=O ZINC000594739318 449660137 /nfs/dbraw/zinc/66/01/37/449660137.db2.gz VCIHGBWAKRKIDG-HOTGVXAUSA-N 2 2 349.862 1.873 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)CCN2C1=O ZINC000594739318 449660139 /nfs/dbraw/zinc/66/01/39/449660139.db2.gz VCIHGBWAKRKIDG-HOTGVXAUSA-N 2 2 349.862 1.873 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598975584 449677105 /nfs/dbraw/zinc/67/71/05/449677105.db2.gz KRNYFLGODVJWIT-MRXNPFEDSA-N 2 2 326.462 1.860 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC000598975584 449677113 /nfs/dbraw/zinc/67/71/13/449677113.db2.gz KRNYFLGODVJWIT-MRXNPFEDSA-N 2 2 326.462 1.860 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000599009183 449696493 /nfs/dbraw/zinc/69/64/93/449696493.db2.gz UCNNOVYIBYXEBQ-UHFFFAOYSA-N 2 2 330.388 1.031 20 0 EDADLP C[NH+](C)C1(C[NH2+]C[C@H]2CNc3ccnn3C2)Cc2ccccc2C1 ZINC000608058644 449739470 /nfs/dbraw/zinc/73/94/70/449739470.db2.gz VAOXPHWJGDILIX-HNNXBMFYSA-N 2 2 325.460 1.614 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(C)n3CC3CC3)CC2)CC1 ZINC000612563313 449776860 /nfs/dbraw/zinc/77/68/60/449776860.db2.gz ZMYUADPESOHCSP-UHFFFAOYSA-N 2 2 346.523 1.993 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(C)n3CC3CC3)CC2)CC1 ZINC000612563313 449776868 /nfs/dbraw/zinc/77/68/68/449776868.db2.gz ZMYUADPESOHCSP-UHFFFAOYSA-N 2 2 346.523 1.993 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000614671999 449752491 /nfs/dbraw/zinc/75/24/91/449752491.db2.gz MNFSZBSCZHZSLG-HNNXBMFYSA-N 2 2 336.505 1.949 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000614671999 449752498 /nfs/dbraw/zinc/75/24/98/449752498.db2.gz MNFSZBSCZHZSLG-HNNXBMFYSA-N 2 2 336.505 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608133323 449760319 /nfs/dbraw/zinc/76/03/19/449760319.db2.gz QBJPMCMDNCNPEH-PBHICJAKSA-N 2 2 345.491 1.142 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608133323 449760324 /nfs/dbraw/zinc/76/03/24/449760324.db2.gz QBJPMCMDNCNPEH-PBHICJAKSA-N 2 2 345.491 1.142 20 0 EDADLP COc1ccc([C@@H]2C[C@H]2C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617763639 449821848 /nfs/dbraw/zinc/82/18/48/449821848.db2.gz WMCVEPSBLVPLJS-ZWKOTPCHSA-N 2 2 333.476 1.798 20 0 EDADLP COc1ccc([C@@H]2C[C@H]2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617763639 449821853 /nfs/dbraw/zinc/82/18/53/449821853.db2.gz WMCVEPSBLVPLJS-ZWKOTPCHSA-N 2 2 333.476 1.798 20 0 EDADLP C[C@H](Cn1ncc2ccccc21)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764395 449824524 /nfs/dbraw/zinc/82/45/24/449824524.db2.gz VEAAMIVAVHDEEO-MRXNPFEDSA-N 2 2 345.491 1.672 20 0 EDADLP C[C@H](Cn1ncc2ccccc21)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764395 449824529 /nfs/dbraw/zinc/82/45/29/449824529.db2.gz VEAAMIVAVHDEEO-MRXNPFEDSA-N 2 2 345.491 1.672 20 0 EDADLP Cc1ccc([C@H](C)[C@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617765746 449827483 /nfs/dbraw/zinc/82/74/83/449827483.db2.gz OQWFAQXGWRSGIB-WMZOPIPTSA-N 2 2 335.492 1.459 20 0 EDADLP Cc1ccc([C@H](C)[C@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617765746 449827490 /nfs/dbraw/zinc/82/74/90/449827490.db2.gz OQWFAQXGWRSGIB-WMZOPIPTSA-N 2 2 335.492 1.459 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[C@@H](C)CO1 ZINC000617734743 449796930 /nfs/dbraw/zinc/79/69/30/449796930.db2.gz HGIVKPZIGAOYHS-YQVWRLOYSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[C@@H](C)CO1 ZINC000617734743 449796934 /nfs/dbraw/zinc/79/69/34/449796934.db2.gz HGIVKPZIGAOYHS-YQVWRLOYSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C)CO1 ZINC000617734743 449796944 /nfs/dbraw/zinc/79/69/44/449796944.db2.gz HGIVKPZIGAOYHS-YQVWRLOYSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C)CO1 ZINC000617734743 449796949 /nfs/dbraw/zinc/79/69/49/449796949.db2.gz HGIVKPZIGAOYHS-YQVWRLOYSA-N 2 2 345.487 1.876 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nc(C(=O)OC)co3)C2)CC1 ZINC000602776398 449800565 /nfs/dbraw/zinc/80/05/65/449800565.db2.gz PRCDRRIJTIFULV-UONOGXRCSA-N 2 2 336.436 1.234 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nc(C(=O)OC)co3)C2)CC1 ZINC000602776398 449800568 /nfs/dbraw/zinc/80/05/68/449800568.db2.gz PRCDRRIJTIFULV-UONOGXRCSA-N 2 2 336.436 1.234 20 0 EDADLP CN(C)c1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000608495598 449859334 /nfs/dbraw/zinc/85/93/34/449859334.db2.gz YTHANZTZYJJKEX-UHFFFAOYSA-N 2 2 330.476 1.493 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[nH]c1C ZINC000597224476 449881993 /nfs/dbraw/zinc/88/19/93/449881993.db2.gz HCRVVHKQDCGTME-INIZCTEOSA-N 2 2 335.448 1.843 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)n(C)c1C ZINC000597248074 449894914 /nfs/dbraw/zinc/89/49/14/449894914.db2.gz LGGJUWLCJQAOAX-INIZCTEOSA-N 2 2 337.464 1.663 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)n(C)c1C ZINC000597248074 449894918 /nfs/dbraw/zinc/89/49/18/449894918.db2.gz LGGJUWLCJQAOAX-INIZCTEOSA-N 2 2 337.464 1.663 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@H+]4CCOC[C@H]4C)CC3)ccn12 ZINC000615084609 449943926 /nfs/dbraw/zinc/94/39/26/449943926.db2.gz XGPJRKRUBODNCG-OAHLLOKOSA-N 2 2 342.443 1.968 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@@H+]4CCOC[C@H]4C)CC3)ccn12 ZINC000615084609 449943932 /nfs/dbraw/zinc/94/39/32/449943932.db2.gz XGPJRKRUBODNCG-OAHLLOKOSA-N 2 2 342.443 1.968 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000615086270 449946683 /nfs/dbraw/zinc/94/66/83/449946683.db2.gz DVNVQGUVAFGECY-LSDHHAIUSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000615086270 449946689 /nfs/dbraw/zinc/94/66/89/449946689.db2.gz DVNVQGUVAFGECY-LSDHHAIUSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@]1(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC[NH2+]C1 ZINC000612861895 449914421 /nfs/dbraw/zinc/91/44/21/449914421.db2.gz GSPMNWLUPGHIKT-AEFFLSMTSA-N 2 2 332.448 1.111 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1ccccc1F ZINC000612865155 449916357 /nfs/dbraw/zinc/91/63/57/449916357.db2.gz IJAHUGVMZLNLFP-WMLDXEAASA-N 2 2 331.395 1.700 20 0 EDADLP CN(C)c1ncccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477043 450000235 /nfs/dbraw/zinc/00/02/35/450000235.db2.gz ANPNMDFYRUHWHJ-INIZCTEOSA-N 2 2 345.491 1.388 20 0 EDADLP CN(C)c1ncccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477043 450000247 /nfs/dbraw/zinc/00/02/47/450000247.db2.gz ANPNMDFYRUHWHJ-INIZCTEOSA-N 2 2 345.491 1.388 20 0 EDADLP O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615557143 450145687 /nfs/dbraw/zinc/14/56/87/450145687.db2.gz FWMGUVBQKAUORH-GOSISDBHSA-N 2 2 335.492 1.574 20 0 EDADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000613367066 450150713 /nfs/dbraw/zinc/15/07/13/450150713.db2.gz ZNVMSIRXTRVZNZ-YJBOKZPZSA-N 2 2 333.476 1.761 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603596281 450331743 /nfs/dbraw/zinc/33/17/43/450331743.db2.gz ILONIVMQNDYDCU-AWEZNQCLSA-N 2 2 345.451 1.078 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000623248871 450464351 /nfs/dbraw/zinc/46/43/51/450464351.db2.gz XCGQANQOAOYKKU-SFHVURJKSA-N 2 2 342.443 1.853 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000620412604 450483372 /nfs/dbraw/zinc/48/33/72/450483372.db2.gz USOYFFLOGGPYEQ-UHFFFAOYSA-N 2 2 341.459 1.602 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000623414179 450518283 /nfs/dbraw/zinc/51/82/83/450518283.db2.gz WJYJHSOKIBOGMR-SFHVURJKSA-N 2 2 346.475 1.412 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000623414179 450518286 /nfs/dbraw/zinc/51/82/86/450518286.db2.gz WJYJHSOKIBOGMR-SFHVURJKSA-N 2 2 346.475 1.412 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623466798 450525857 /nfs/dbraw/zinc/52/58/57/450525857.db2.gz MYJUUXSVJVKTOZ-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623466798 450525859 /nfs/dbraw/zinc/52/58/59/450525859.db2.gz MYJUUXSVJVKTOZ-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623466798 450525860 /nfs/dbraw/zinc/52/58/60/450525860.db2.gz MYJUUXSVJVKTOZ-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623466798 450525861 /nfs/dbraw/zinc/52/58/61/450525861.db2.gz MYJUUXSVJVKTOZ-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620722173 450531346 /nfs/dbraw/zinc/53/13/46/450531346.db2.gz BQGRBHGLRLMDSF-RBUKOAKNSA-N 2 2 344.503 1.403 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620722173 450531347 /nfs/dbraw/zinc/53/13/47/450531347.db2.gz BQGRBHGLRLMDSF-RBUKOAKNSA-N 2 2 344.503 1.403 20 0 EDADLP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000620722173 450531348 /nfs/dbraw/zinc/53/13/48/450531348.db2.gz BQGRBHGLRLMDSF-RBUKOAKNSA-N 2 2 344.503 1.403 20 0 EDADLP C[NH+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000620722173 450531349 /nfs/dbraw/zinc/53/13/49/450531349.db2.gz BQGRBHGLRLMDSF-RBUKOAKNSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C)CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000620722312 450531538 /nfs/dbraw/zinc/53/15/38/450531538.db2.gz NQHCHQMXEVDYTG-NZSAHSFTSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C)CC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000620722312 450531540 /nfs/dbraw/zinc/53/15/40/450531540.db2.gz NQHCHQMXEVDYTG-NZSAHSFTSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000620722312 450531543 /nfs/dbraw/zinc/53/15/43/450531543.db2.gz NQHCHQMXEVDYTG-NZSAHSFTSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000620722312 450531546 /nfs/dbraw/zinc/53/15/46/450531546.db2.gz NQHCHQMXEVDYTG-NZSAHSFTSA-N 2 2 344.503 1.259 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000623519043 450536790 /nfs/dbraw/zinc/53/67/90/450536790.db2.gz VPXJDUWWRDMLER-KRWDZBQOSA-N 2 2 338.496 1.271 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000623519043 450536791 /nfs/dbraw/zinc/53/67/91/450536791.db2.gz VPXJDUWWRDMLER-KRWDZBQOSA-N 2 2 338.496 1.271 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623590171 450548087 /nfs/dbraw/zinc/54/80/87/450548087.db2.gz HLWTYHFIUQXWDQ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623590171 450548089 /nfs/dbraw/zinc/54/80/89/450548089.db2.gz HLWTYHFIUQXWDQ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623590171 450548091 /nfs/dbraw/zinc/54/80/91/450548091.db2.gz HLWTYHFIUQXWDQ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623590171 450548093 /nfs/dbraw/zinc/54/80/93/450548093.db2.gz HLWTYHFIUQXWDQ-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CC(F)(F)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000623639330 450557751 /nfs/dbraw/zinc/55/77/51/450557751.db2.gz OCWRQQLGNLSOGJ-UONOGXRCSA-N 2 2 344.450 1.984 20 0 EDADLP C[C@H]1CC(F)(F)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000623639330 450557754 /nfs/dbraw/zinc/55/77/54/450557754.db2.gz OCWRQQLGNLSOGJ-UONOGXRCSA-N 2 2 344.450 1.984 20 0 EDADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000623757837 450578562 /nfs/dbraw/zinc/57/85/62/450578562.db2.gz FDYYTTDCAVRHGG-GOSISDBHSA-N 2 2 327.428 1.817 20 0 EDADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000623757837 450578564 /nfs/dbraw/zinc/57/85/64/450578564.db2.gz FDYYTTDCAVRHGG-GOSISDBHSA-N 2 2 327.428 1.817 20 0 EDADLP C/C=C\C[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000626160530 450594351 /nfs/dbraw/zinc/59/43/51/450594351.db2.gz JZBGSWXSANGHOK-VGOKWCNXSA-N 2 2 337.508 1.892 20 0 EDADLP C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000626160530 450594352 /nfs/dbraw/zinc/59/43/52/450594352.db2.gz JZBGSWXSANGHOK-VGOKWCNXSA-N 2 2 337.508 1.892 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@@H](O)COCc2ccccc2)n1C ZINC000623828362 450605110 /nfs/dbraw/zinc/60/51/10/450605110.db2.gz VLWAWYVQBXTYET-QGZVFWFLSA-N 2 2 332.448 1.544 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)c(C)[nH+]1 ZINC000633016660 450613147 /nfs/dbraw/zinc/61/31/47/450613147.db2.gz YFQCFAZSGKLYIN-UHFFFAOYSA-N 2 2 338.411 1.599 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1COCC[NH+]1C ZINC000623890698 450625596 /nfs/dbraw/zinc/62/55/96/450625596.db2.gz UKUURZSDAJCTHU-BPQIPLTHSA-N 2 2 346.475 1.137 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1COCC[NH+]1C ZINC000623890698 450625603 /nfs/dbraw/zinc/62/56/03/450625603.db2.gz UKUURZSDAJCTHU-BPQIPLTHSA-N 2 2 346.475 1.137 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623890698 450625613 /nfs/dbraw/zinc/62/56/13/450625613.db2.gz UKUURZSDAJCTHU-BPQIPLTHSA-N 2 2 346.475 1.137 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623890698 450625618 /nfs/dbraw/zinc/62/56/18/450625618.db2.gz UKUURZSDAJCTHU-BPQIPLTHSA-N 2 2 346.475 1.137 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000633043223 450642081 /nfs/dbraw/zinc/64/20/81/450642081.db2.gz YRSYDOFFNJXZFG-CMPLNLGQSA-N 2 2 341.415 1.337 20 0 EDADLP CNS(=O)(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000621266155 450643671 /nfs/dbraw/zinc/64/36/71/450643671.db2.gz APLRLMVUEXMICL-UHFFFAOYSA-N 2 2 325.478 1.132 20 0 EDADLP CNS(=O)(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000621266155 450643677 /nfs/dbraw/zinc/64/36/77/450643677.db2.gz APLRLMVUEXMICL-UHFFFAOYSA-N 2 2 325.478 1.132 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633069096 450657462 /nfs/dbraw/zinc/65/74/62/450657462.db2.gz GQSPHQYLVCUHCS-QZTJIDSGSA-N 2 2 340.427 1.082 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000633069096 450657467 /nfs/dbraw/zinc/65/74/67/450657467.db2.gz GQSPHQYLVCUHCS-QZTJIDSGSA-N 2 2 340.427 1.082 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629435476 450677778 /nfs/dbraw/zinc/67/77/78/450677778.db2.gz KPWWHBNWCWYWQH-DOTOQJQBSA-N 2 2 348.491 1.565 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629435476 450677782 /nfs/dbraw/zinc/67/77/82/450677782.db2.gz KPWWHBNWCWYWQH-DOTOQJQBSA-N 2 2 348.491 1.565 20 0 EDADLP c1cnc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CCC2 ZINC000631581335 450664610 /nfs/dbraw/zinc/66/46/10/450664610.db2.gz LHAYDQHEGTXQNV-APWZRJJASA-N 2 2 330.476 1.455 20 0 EDADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)c1ccco1 ZINC000631655180 450697719 /nfs/dbraw/zinc/69/77/19/450697719.db2.gz XIUHSZJXXPUWKJ-AWEZNQCLSA-N 2 2 329.466 1.288 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624084916 450700372 /nfs/dbraw/zinc/70/03/72/450700372.db2.gz XKPDUTRRJXFYED-HOTGVXAUSA-N 2 2 338.496 1.097 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624084916 450700376 /nfs/dbraw/zinc/70/03/76/450700376.db2.gz XKPDUTRRJXFYED-HOTGVXAUSA-N 2 2 338.496 1.097 20 0 EDADLP O[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C[NH+]1CCCC1 ZINC000629583341 450749198 /nfs/dbraw/zinc/74/91/98/450749198.db2.gz ZHKUPLRRJRHNKA-PMPSAXMXSA-N 2 2 346.393 1.567 20 0 EDADLP Cc1cc(NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)c(C)c[nH+]1 ZINC000626469525 450756483 /nfs/dbraw/zinc/75/64/83/450756483.db2.gz DQRKAWFCSWQMIW-UHFFFAOYSA-N 2 2 342.447 2.576 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000635254174 450786699 /nfs/dbraw/zinc/78/66/99/450786699.db2.gz FCSAKKZIZBHMHX-HNNXBMFYSA-N 2 2 344.459 1.355 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000635254174 450786705 /nfs/dbraw/zinc/78/67/05/450786705.db2.gz FCSAKKZIZBHMHX-HNNXBMFYSA-N 2 2 344.459 1.355 20 0 EDADLP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621669289 450824734 /nfs/dbraw/zinc/82/47/34/450824734.db2.gz IXSOXJODJDCCGJ-SJLPKXTDSA-N 3 2 336.524 1.393 20 0 EDADLP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621669289 450824739 /nfs/dbraw/zinc/82/47/39/450824739.db2.gz IXSOXJODJDCCGJ-SJLPKXTDSA-N 3 2 336.524 1.393 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862540 450831982 /nfs/dbraw/zinc/83/19/82/450831982.db2.gz JUTUOFSHMHWLIN-HNNXBMFYSA-N 2 2 331.460 1.006 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631868870 450836458 /nfs/dbraw/zinc/83/64/58/450836458.db2.gz QAWUDYNZSLORAN-APWZRJJASA-N 2 2 331.460 1.612 20 0 EDADLP C[NH+](C)Cc1cc(-c2ccc(NCCOCCO)[nH+]c2)ccc1F ZINC000629738870 450794450 /nfs/dbraw/zinc/79/44/50/450794450.db2.gz SBJBZVBPLOSQMU-UHFFFAOYSA-N 2 2 333.407 2.370 20 0 EDADLP COc1cccc(-c2nc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)co2)c1 ZINC000631826671 450799160 /nfs/dbraw/zinc/79/91/60/450799160.db2.gz UFVOIRIVQGEFFW-KRWDZBQOSA-N 2 2 342.443 1.830 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834524 450804051 /nfs/dbraw/zinc/80/40/51/450804051.db2.gz ZCSYYNDOMWGTMS-ROUUACIJSA-N 2 2 344.503 1.927 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834524 450804055 /nfs/dbraw/zinc/80/40/55/450804055.db2.gz ZCSYYNDOMWGTMS-ROUUACIJSA-N 2 2 344.503 1.927 20 0 EDADLP CCn1nc(C)c(C[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000631836126 450805858 /nfs/dbraw/zinc/80/58/58/450805858.db2.gz NRDXZRBQDMCTDR-OALUTQOASA-N 2 2 330.476 1.883 20 0 EDADLP CCn1nc(C)c(C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000631836126 450805863 /nfs/dbraw/zinc/80/58/63/450805863.db2.gz NRDXZRBQDMCTDR-OALUTQOASA-N 2 2 330.476 1.883 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886918 450849548 /nfs/dbraw/zinc/84/95/48/450849548.db2.gz KYTJPGAWIZFHRB-AEFFLSMTSA-N 2 2 331.460 1.523 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886918 450849552 /nfs/dbraw/zinc/84/95/52/450849552.db2.gz KYTJPGAWIZFHRB-AEFFLSMTSA-N 2 2 331.460 1.523 20 0 EDADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)nn1 ZINC000631889189 450850456 /nfs/dbraw/zinc/85/04/56/450850456.db2.gz CZGMCWAGIZTILS-WCQYABFASA-N 2 2 330.354 1.992 20 0 EDADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)nn1 ZINC000631889189 450850459 /nfs/dbraw/zinc/85/04/59/450850459.db2.gz CZGMCWAGIZTILS-WCQYABFASA-N 2 2 330.354 1.992 20 0 EDADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629917264 450887144 /nfs/dbraw/zinc/88/71/44/450887144.db2.gz RTUJESHKHMMKKM-JKSUJKDBSA-N 2 2 328.416 1.115 20 0 EDADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629917264 450887149 /nfs/dbraw/zinc/88/71/49/450887149.db2.gz RTUJESHKHMMKKM-JKSUJKDBSA-N 2 2 328.416 1.115 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000633444321 450854305 /nfs/dbraw/zinc/85/43/05/450854305.db2.gz KTLKXXKTZMXFIR-KGLIPLIRSA-N 2 2 328.416 1.604 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)[C@@H](C)C[N@H+]1CCO ZINC000633444321 450854311 /nfs/dbraw/zinc/85/43/11/450854311.db2.gz KTLKXXKTZMXFIR-KGLIPLIRSA-N 2 2 328.416 1.604 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000626705598 450862180 /nfs/dbraw/zinc/86/21/80/450862180.db2.gz AFJQQLWCXXESNB-YTQUADARSA-N 2 2 345.487 1.511 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626705598 450862181 /nfs/dbraw/zinc/86/21/81/450862181.db2.gz AFJQQLWCXXESNB-YTQUADARSA-N 2 2 345.487 1.511 20 0 EDADLP C[N@H+](CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CCC1 ZINC000629960161 450917886 /nfs/dbraw/zinc/91/78/86/450917886.db2.gz XRJJABYQBCWXFF-SFHVURJKSA-N 2 2 345.487 1.530 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CCC1 ZINC000629960161 450917887 /nfs/dbraw/zinc/91/78/87/450917887.db2.gz XRJJABYQBCWXFF-SFHVURJKSA-N 2 2 345.487 1.530 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000627754391 450921749 /nfs/dbraw/zinc/92/17/49/450921749.db2.gz UNFOXEVXSXUZHM-CQSZACIVSA-N 2 2 346.431 1.552 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000627754391 450921755 /nfs/dbraw/zinc/92/17/55/450921755.db2.gz UNFOXEVXSXUZHM-CQSZACIVSA-N 2 2 346.431 1.552 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000635453004 450953326 /nfs/dbraw/zinc/95/33/26/450953326.db2.gz LATVGNDAJWGMQF-HZPDHXFCSA-N 2 2 332.448 1.474 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000635453004 450953332 /nfs/dbraw/zinc/95/33/32/450953332.db2.gz LATVGNDAJWGMQF-HZPDHXFCSA-N 2 2 332.448 1.474 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C34CCC4)ccc2n1C ZINC000626851565 450959095 /nfs/dbraw/zinc/95/90/95/450959095.db2.gz XZIKSSBEEKGOSC-OAHLLOKOSA-N 2 2 341.415 1.221 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000626920406 451004068 /nfs/dbraw/zinc/00/40/68/451004068.db2.gz ZQVDSBJQGOTWPG-MJBXVCDLSA-N 2 2 338.477 1.171 20 0 EDADLP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000627932853 451032926 /nfs/dbraw/zinc/03/29/26/451032926.db2.gz FYHQIXMMLHMPJX-ABHNRTSZSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000627932853 451032930 /nfs/dbraw/zinc/03/29/30/451032930.db2.gz FYHQIXMMLHMPJX-ABHNRTSZSA-N 2 2 344.459 1.025 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000627005304 451069221 /nfs/dbraw/zinc/06/92/21/451069221.db2.gz WSJCPXPJTXGSEJ-BYCMXARLSA-N 2 2 340.830 1.885 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000627005304 451069227 /nfs/dbraw/zinc/06/92/27/451069227.db2.gz WSJCPXPJTXGSEJ-BYCMXARLSA-N 2 2 340.830 1.885 20 0 EDADLP CN(CCOCC[NH3+])C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000626979824 451048878 /nfs/dbraw/zinc/04/88/78/451048878.db2.gz LYOWVFPMKDBLBV-CQSZACIVSA-N 2 2 344.406 1.184 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)n1cc[nH+]c1 ZINC000635611011 451103472 /nfs/dbraw/zinc/10/34/72/451103472.db2.gz KFMSHMPHJQNIGY-IRXDYDNUSA-N 2 2 334.464 1.651 20 0 EDADLP CCC(C)(C)[C@@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000635615612 451106944 /nfs/dbraw/zinc/10/69/44/451106944.db2.gz PAQXFTDJOHVPFH-INIZCTEOSA-N 2 2 339.524 1.850 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCC[NH+]2CC[C@H](C)C2)cc1 ZINC000635635107 451122892 /nfs/dbraw/zinc/12/28/92/451122892.db2.gz JYLWMADKTBBRIK-MAUKXSAKSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCC[NH+]2CC[C@H](C)C2)cc1 ZINC000635635107 451122898 /nfs/dbraw/zinc/12/28/98/451122898.db2.gz JYLWMADKTBBRIK-MAUKXSAKSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000635635107 451122903 /nfs/dbraw/zinc/12/29/03/451122903.db2.gz JYLWMADKTBBRIK-MAUKXSAKSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000635635107 451122908 /nfs/dbraw/zinc/12/29/08/451122908.db2.gz JYLWMADKTBBRIK-MAUKXSAKSA-N 2 2 331.460 1.728 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635675518 451159396 /nfs/dbraw/zinc/15/93/96/451159396.db2.gz IPKUTIXMTJOJSN-MLGOLLRUSA-N 2 2 326.400 1.790 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635675518 451159400 /nfs/dbraw/zinc/15/94/00/451159400.db2.gz IPKUTIXMTJOJSN-MLGOLLRUSA-N 2 2 326.400 1.790 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000625097772 451160342 /nfs/dbraw/zinc/16/03/42/451160342.db2.gz VREFBWMYDIUJRF-MSOLQXFVSA-N 2 2 331.460 1.613 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628186981 451173332 /nfs/dbraw/zinc/17/33/32/451173332.db2.gz BPUREKXTQLPREM-KRWDZBQOSA-N 2 2 327.432 1.301 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628186981 451173341 /nfs/dbraw/zinc/17/33/41/451173341.db2.gz BPUREKXTQLPREM-KRWDZBQOSA-N 2 2 327.432 1.301 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc2[nH+]1 ZINC000635722232 451198450 /nfs/dbraw/zinc/19/84/50/451198450.db2.gz ULTNRKTTXYEAND-YESZJQIVSA-N 2 2 342.443 1.966 20 0 EDADLP C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000632370135 451232398 /nfs/dbraw/zinc/23/23/98/451232398.db2.gz VVIIJHVHLBHTES-HOCLYGCPSA-N 2 2 348.472 1.645 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)[C@@H]2C1 ZINC000635778784 451234685 /nfs/dbraw/zinc/23/46/85/451234685.db2.gz GRHVTIJCVLJKKQ-UPJWGTAASA-N 2 2 330.354 1.929 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)[C@@H]2C1 ZINC000635778784 451234686 /nfs/dbraw/zinc/23/46/86/451234686.db2.gz GRHVTIJCVLJKKQ-UPJWGTAASA-N 2 2 330.354 1.929 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000638088474 451254140 /nfs/dbraw/zinc/25/41/40/451254140.db2.gz MDVXXPFKLDZWHS-KRWDZBQOSA-N 2 2 328.416 1.625 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000638100753 451267854 /nfs/dbraw/zinc/26/78/54/451267854.db2.gz NMJTYHARXYVQPF-UCLAIMLFSA-N 2 2 347.459 1.785 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638116347 451284725 /nfs/dbraw/zinc/28/47/25/451284725.db2.gz MUIWPFCUMVJYNY-JTQLQIEISA-N 2 2 347.329 1.650 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1cnc(C[NH3+])nc1)c1c(F)cccc1F ZINC000638119445 451288898 /nfs/dbraw/zinc/28/88/98/451288898.db2.gz REBILFRZQGYZCY-CYBMUJFWSA-N 2 2 335.358 1.246 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638134563 451307555 /nfs/dbraw/zinc/30/75/55/451307555.db2.gz WNKLWXZDHHLWFY-UHFFFAOYSA-N 3 2 341.459 1.718 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638139620 451315072 /nfs/dbraw/zinc/31/50/72/451315072.db2.gz NSGLBANBHVZZKW-CRAIPNDOSA-N 2 2 332.448 1.042 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC000635913980 451358514 /nfs/dbraw/zinc/35/85/14/451358514.db2.gz DIVLPQXLZMRATC-CQSZACIVSA-N 2 2 345.447 1.177 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000628667923 451362417 /nfs/dbraw/zinc/36/24/17/451362417.db2.gz YRQHCCRIFGXWIY-MRXNPFEDSA-N 2 2 328.416 1.742 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000628667923 451362421 /nfs/dbraw/zinc/36/24/21/451362421.db2.gz YRQHCCRIFGXWIY-MRXNPFEDSA-N 2 2 328.416 1.742 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000628667923 451362425 /nfs/dbraw/zinc/36/24/25/451362425.db2.gz YRQHCCRIFGXWIY-MRXNPFEDSA-N 2 2 328.416 1.742 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000628667923 451362430 /nfs/dbraw/zinc/36/24/30/451362430.db2.gz YRQHCCRIFGXWIY-MRXNPFEDSA-N 2 2 328.416 1.742 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000635930029 451374013 /nfs/dbraw/zinc/37/40/13/451374013.db2.gz BTYCHVXAQSPTQZ-INMHGKMJSA-N 2 2 328.416 1.941 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000635930029 451374019 /nfs/dbraw/zinc/37/40/19/451374019.db2.gz BTYCHVXAQSPTQZ-INMHGKMJSA-N 2 2 328.416 1.941 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634511527 451378503 /nfs/dbraw/zinc/37/85/03/451378503.db2.gz RYSNJZHBZUKOJH-HOTGVXAUSA-N 2 2 331.464 1.036 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000628754011 451398114 /nfs/dbraw/zinc/39/81/14/451398114.db2.gz MRKXVTYRXPREBS-MRXNPFEDSA-N 2 2 346.475 1.376 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000628754011 451398119 /nfs/dbraw/zinc/39/81/19/451398119.db2.gz MRKXVTYRXPREBS-MRXNPFEDSA-N 2 2 346.475 1.376 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)c1 ZINC000638295688 451410487 /nfs/dbraw/zinc/41/04/87/451410487.db2.gz YHDMUHNSUILZSC-MRXNPFEDSA-N 2 2 345.443 1.266 20 0 EDADLP CN(CCCNC(=O)Nc1cc(C[NH+](C)C)ccn1)CC[NH+](C)C ZINC000640571571 451415673 /nfs/dbraw/zinc/41/56/73/451415673.db2.gz AJRBBADGQCBHOZ-UHFFFAOYSA-N 2 2 336.484 1.148 20 0 EDADLP CC(C)[C@H](CNC(=O)Nc1ccnc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000640605073 451451404 /nfs/dbraw/zinc/45/14/04/451451404.db2.gz QBORSSFJLQAEIT-KRWDZBQOSA-N 2 2 349.479 1.622 20 0 EDADLP C[C@@H]1CCC[N@H+](CC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638363167 451461518 /nfs/dbraw/zinc/46/15/18/451461518.db2.gz JYZLRGHLDHCIQZ-CQSZACIVSA-N 2 2 331.526 1.558 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638363167 451461523 /nfs/dbraw/zinc/46/15/23/451461523.db2.gz JYZLRGHLDHCIQZ-CQSZACIVSA-N 2 2 331.526 1.558 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000628904601 451466040 /nfs/dbraw/zinc/46/60/40/451466040.db2.gz OYPOHGSZIIKCRM-UHFFFAOYSA-N 2 2 346.475 1.475 20 0 EDADLP Cn1nc2c(c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCCC2 ZINC000640637979 451483557 /nfs/dbraw/zinc/48/35/57/451483557.db2.gz VLBQGFJDXLIACU-UHFFFAOYSA-N 2 2 336.484 1.304 20 0 EDADLP Cn1nc2c(c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCCC2 ZINC000640637979 451483562 /nfs/dbraw/zinc/48/35/62/451483562.db2.gz VLBQGFJDXLIACU-UHFFFAOYSA-N 2 2 336.484 1.304 20 0 EDADLP OC1CC[NH+](CCC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634718678 451498105 /nfs/dbraw/zinc/49/81/05/451498105.db2.gz HQJMXTPECIIAEB-HXUWFJFHSA-N 3 2 347.503 1.060 20 0 EDADLP OC1CC[NH+](CCC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634718678 451498110 /nfs/dbraw/zinc/49/81/10/451498110.db2.gz HQJMXTPECIIAEB-HXUWFJFHSA-N 3 2 347.503 1.060 20 0 EDADLP OCCCN1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634720268 451498935 /nfs/dbraw/zinc/49/89/35/451498935.db2.gz HPQJDAYCJZWOSG-WOJBJXKFSA-N 2 2 347.503 1.060 20 0 EDADLP OCCCN1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634720268 451498943 /nfs/dbraw/zinc/49/89/43/451498943.db2.gz HPQJDAYCJZWOSG-WOJBJXKFSA-N 2 2 347.503 1.060 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000632666064 451501878 /nfs/dbraw/zinc/50/18/78/451501878.db2.gz KWXORRPLCSXZPP-CQSZACIVSA-N 2 2 342.443 1.994 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000632666064 451501883 /nfs/dbraw/zinc/50/18/83/451501883.db2.gz KWXORRPLCSXZPP-CQSZACIVSA-N 2 2 342.443 1.994 20 0 EDADLP OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000634723686 451504931 /nfs/dbraw/zinc/50/49/31/451504931.db2.gz BCBAXOTWOHDFQU-GJZGRUSLSA-N 2 2 332.366 1.785 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@@H](C)C1 ZINC000636794408 451515052 /nfs/dbraw/zinc/51/50/52/451515052.db2.gz HFZQAXMOWSFGRT-UXLLHSPISA-N 2 2 349.479 1.244 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@@H](C)C1 ZINC000636794408 451515055 /nfs/dbraw/zinc/51/50/55/451515055.db2.gz HFZQAXMOWSFGRT-UXLLHSPISA-N 2 2 349.479 1.244 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000634762256 451533155 /nfs/dbraw/zinc/53/31/55/451533155.db2.gz SSWFNMDFGBAAHU-INIZCTEOSA-N 2 2 345.491 1.098 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000631110320 451589307 /nfs/dbraw/zinc/58/93/07/451589307.db2.gz GSZYLVZABXJWLX-GOSISDBHSA-N 2 2 334.460 1.914 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)NC ZINC000631154348 451614233 /nfs/dbraw/zinc/61/42/33/451614233.db2.gz JJWWLKZKZVEDKL-KRWDZBQOSA-N 2 2 335.448 1.012 20 0 EDADLP CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631159099 451616800 /nfs/dbraw/zinc/61/68/00/451616800.db2.gz PJMUJCSYOGYXLD-MRXNPFEDSA-N 2 2 349.475 1.400 20 0 EDADLP O=S1(=O)CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000634969144 451629231 /nfs/dbraw/zinc/62/92/31/451629231.db2.gz GJNNUZXWWBWEPH-BHYGNILZSA-N 2 2 344.521 1.311 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000638659740 451637293 /nfs/dbraw/zinc/63/72/93/451637293.db2.gz ISMONHKENGXOJV-GJZGRUSLSA-N 2 2 332.510 1.167 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC34CC(C3)C[NH2+]4)c2)C1 ZINC000634996038 451641390 /nfs/dbraw/zinc/64/13/90/451641390.db2.gz XMCPSQZWUHLRMD-FDYSRKEFSA-N 3 2 342.487 1.226 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC34CC(C3)C[NH2+]4)c2)C1 ZINC000634996038 451641395 /nfs/dbraw/zinc/64/13/95/451641395.db2.gz XMCPSQZWUHLRMD-FDYSRKEFSA-N 3 2 342.487 1.226 20 0 EDADLP Nc1ccc(-c2cccc(C[NH+]3CCC([NH2+]CCO)CC3)n2)cc1 ZINC000635001994 451645473 /nfs/dbraw/zinc/64/54/73/451645473.db2.gz GPKFGPUARHZTGY-UHFFFAOYSA-N 2 2 326.444 1.877 20 0 EDADLP COCCC1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000636986643 451662861 /nfs/dbraw/zinc/66/28/61/451662861.db2.gz IVOFQOSKNUIFGL-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncc2ncn(C)c21 ZINC000631276511 451676987 /nfs/dbraw/zinc/67/69/87/451676987.db2.gz PZQLFLLXNKVPSC-UHFFFAOYSA-N 2 2 344.463 1.066 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncc2ncn(C)c21 ZINC000631276511 451676990 /nfs/dbraw/zinc/67/69/90/451676990.db2.gz PZQLFLLXNKVPSC-UHFFFAOYSA-N 2 2 344.463 1.066 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCNC(=O)C3)[nH+]c2)CC1 ZINC000638773483 451685307 /nfs/dbraw/zinc/68/53/07/451685307.db2.gz AGPZKKMZSOKEDM-CQSZACIVSA-N 2 2 331.464 1.693 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000638842299 451708275 /nfs/dbraw/zinc/70/82/75/451708275.db2.gz OEYOVVSDYQLQTB-IEBWSBKVSA-N 2 2 343.471 1.803 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000638842299 451708276 /nfs/dbraw/zinc/70/82/76/451708276.db2.gz OEYOVVSDYQLQTB-IEBWSBKVSA-N 2 2 343.471 1.803 20 0 EDADLP O=C(NCc1cccc2c1CC[NH2+]C2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000638845469 451708398 /nfs/dbraw/zinc/70/83/98/451708398.db2.gz DTKYUWYGLWQMSN-IBGZPJMESA-N 2 2 343.471 1.592 20 0 EDADLP O=C(NCc1cccc2c1CC[NH2+]C2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000638845469 451708401 /nfs/dbraw/zinc/70/84/01/451708401.db2.gz DTKYUWYGLWQMSN-IBGZPJMESA-N 2 2 343.471 1.592 20 0 EDADLP COCC[NH+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000631268864 451672049 /nfs/dbraw/zinc/67/20/49/451672049.db2.gz DZAPPMFDRGOLAF-UHFFFAOYSA-N 2 2 328.416 1.205 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636467340 451722199 /nfs/dbraw/zinc/72/21/99/451722199.db2.gz HFJNJZLFXSNKHQ-HIFRSBDPSA-N 2 2 329.404 1.537 20 0 EDADLP Cc1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2nccn2c1 ZINC000638983165 451745258 /nfs/dbraw/zinc/74/52/58/451745258.db2.gz AVTVCXBPZFAPON-UHFFFAOYSA-N 2 2 336.399 1.700 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000638983582 451745838 /nfs/dbraw/zinc/74/58/38/451745838.db2.gz CGIIJNZMHJJPQE-QGZVFWFLSA-N 3 2 325.416 1.438 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638986221 451747022 /nfs/dbraw/zinc/74/70/22/451747022.db2.gz WZUWXQJOGMYMBR-QGZVFWFLSA-N 3 2 341.415 1.138 20 0 EDADLP CC(=O)Nc1cccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638986884 451747408 /nfs/dbraw/zinc/74/74/08/451747408.db2.gz GPMNLRYOOMFNDE-UHFFFAOYSA-N 2 2 339.399 1.702 20 0 EDADLP [NH3+][C@H](CC(F)F)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990500 451749160 /nfs/dbraw/zinc/74/91/60/451749160.db2.gz LQJQXHAAVFHVSK-LLVKDONJSA-N 2 2 330.404 1.234 20 0 EDADLP CCC[C@@H]([NH3+])c1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000641180176 451771141 /nfs/dbraw/zinc/77/11/41/451771141.db2.gz ANAVIGOIQASTJF-QGZVFWFLSA-N 2 2 329.448 1.959 20 0 EDADLP COc1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)sn1 ZINC000639168985 451783935 /nfs/dbraw/zinc/78/39/35/451783935.db2.gz GZPPFPDHKLCSOD-UHFFFAOYSA-N 2 2 338.477 1.138 20 0 EDADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)Cc1c[nH+]c(N)nc1N ZINC000639170977 451784747 /nfs/dbraw/zinc/78/47/47/451784747.db2.gz MUFGFHIZXUMAPW-UHFFFAOYSA-N 2 2 334.855 1.519 20 0 EDADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000653285654 451815945 /nfs/dbraw/zinc/81/59/45/451815945.db2.gz UTPYTOOHUJRXRI-FZMZJTMJSA-N 2 2 337.370 1.528 20 0 EDADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000653285654 451815953 /nfs/dbraw/zinc/81/59/53/451815953.db2.gz UTPYTOOHUJRXRI-FZMZJTMJSA-N 2 2 337.370 1.528 20 0 EDADLP CCC(F)(F)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637414531 451843863 /nfs/dbraw/zinc/84/38/63/451843863.db2.gz ANKXQEHIPGMMLX-AWEZNQCLSA-N 2 2 332.439 1.842 20 0 EDADLP CCC(F)(F)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637414531 451843872 /nfs/dbraw/zinc/84/38/72/451843872.db2.gz ANKXQEHIPGMMLX-AWEZNQCLSA-N 2 2 332.439 1.842 20 0 EDADLP Cc1ncccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637428182 451849575 /nfs/dbraw/zinc/84/95/75/451849575.db2.gz WUJXRMJBGACXEZ-GOSISDBHSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1ncccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637428182 451849580 /nfs/dbraw/zinc/84/95/80/451849580.db2.gz WUJXRMJBGACXEZ-GOSISDBHSA-N 2 2 345.491 1.700 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000637446377 451862122 /nfs/dbraw/zinc/86/21/22/451862122.db2.gz RHUBEYJYIKSDNF-QGZVFWFLSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000637446377 451862125 /nfs/dbraw/zinc/86/21/25/451862125.db2.gz RHUBEYJYIKSDNF-QGZVFWFLSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(C)(C)[C@H]3C3CC3)C2)CC1 ZINC000642399010 451874928 /nfs/dbraw/zinc/87/49/28/451874928.db2.gz JSRSZYQJYGGZSL-DOTOQJQBSA-N 2 2 334.508 1.985 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(C)(C)[C@H]3C3CC3)C2)CC1 ZINC000642399010 451874933 /nfs/dbraw/zinc/87/49/33/451874933.db2.gz JSRSZYQJYGGZSL-DOTOQJQBSA-N 2 2 334.508 1.985 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000637470888 451889020 /nfs/dbraw/zinc/88/90/20/451889020.db2.gz PVMYHOQWNXMMSL-KRWDZBQOSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000637470888 451889028 /nfs/dbraw/zinc/88/90/28/451889028.db2.gz PVMYHOQWNXMMSL-KRWDZBQOSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637470888 451889034 /nfs/dbraw/zinc/88/90/34/451889034.db2.gz PVMYHOQWNXMMSL-KRWDZBQOSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000637470888 451889041 /nfs/dbraw/zinc/88/90/41/451889041.db2.gz PVMYHOQWNXMMSL-KRWDZBQOSA-N 3 2 339.528 1.186 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC000651539820 451900619 /nfs/dbraw/zinc/90/06/19/451900619.db2.gz PTVXOGMNYJCDMF-HIFRSBDPSA-N 2 2 331.420 1.864 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC000651539820 451900623 /nfs/dbraw/zinc/90/06/23/451900623.db2.gz PTVXOGMNYJCDMF-HIFRSBDPSA-N 2 2 331.420 1.864 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649210874 451907268 /nfs/dbraw/zinc/90/72/68/451907268.db2.gz PXCFIYKGILPFSK-AEFFLSMTSA-N 3 2 347.507 1.320 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649210874 451907274 /nfs/dbraw/zinc/90/72/74/451907274.db2.gz PXCFIYKGILPFSK-AEFFLSMTSA-N 3 2 347.507 1.320 20 0 EDADLP OCC[N@@H+](Cc1cccnc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639517177 451918174 /nfs/dbraw/zinc/91/81/74/451918174.db2.gz GAGFGZSMKHPIMK-FQEVSTJZSA-N 2 2 341.455 1.513 20 0 EDADLP OCC[NH+](Cc1cccnc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639517177 451918177 /nfs/dbraw/zinc/91/81/77/451918177.db2.gz GAGFGZSMKHPIMK-FQEVSTJZSA-N 2 2 341.455 1.513 20 0 EDADLP OCC[NH+](Cc1cccnc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639517177 451918182 /nfs/dbraw/zinc/91/81/82/451918182.db2.gz GAGFGZSMKHPIMK-FQEVSTJZSA-N 2 2 341.455 1.513 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000644715234 451949387 /nfs/dbraw/zinc/94/93/87/451949387.db2.gz ZXWVWLYAALPOJS-GDAAHCPNSA-N 2 2 343.471 1.062 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000644715234 451949390 /nfs/dbraw/zinc/94/93/90/451949390.db2.gz ZXWVWLYAALPOJS-GDAAHCPNSA-N 2 2 343.471 1.062 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000651578952 451932296 /nfs/dbraw/zinc/93/22/96/451932296.db2.gz JRDYHYIIOCJSHN-MRXNPFEDSA-N 2 2 330.476 1.952 20 0 EDADLP COC[C@@]1(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CCC[NH2+]1 ZINC000649279291 451950348 /nfs/dbraw/zinc/95/03/48/451950348.db2.gz DVBNTHQAZISNFE-LJQANCHMSA-N 2 2 331.460 1.408 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000644728172 451954589 /nfs/dbraw/zinc/95/45/89/451954589.db2.gz CRQVPZULXHMHAV-RDJZCZTQSA-N 2 2 348.516 1.028 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000644728172 451954596 /nfs/dbraw/zinc/95/45/96/451954596.db2.gz CRQVPZULXHMHAV-RDJZCZTQSA-N 2 2 348.516 1.028 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)[C@H]2CCC[NH2+]2)c2[nH+]ccn2C)c1 ZINC000649283224 451956135 /nfs/dbraw/zinc/95/61/35/451956135.db2.gz YTURSFLCBPTWGJ-HZPDHXFCSA-N 2 2 344.415 1.395 20 0 EDADLP C[N@H+](C[C@@H]1CCc2ncnn21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639597366 451963811 /nfs/dbraw/zinc/96/38/11/451963811.db2.gz DZSDHINWUOFBIL-HKUYNNGSSA-N 2 2 341.459 1.334 20 0 EDADLP C[N@@H+](C[C@@H]1CCc2ncnn21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639597366 451963815 /nfs/dbraw/zinc/96/38/15/451963815.db2.gz DZSDHINWUOFBIL-HKUYNNGSSA-N 2 2 341.459 1.334 20 0 EDADLP C[NH+](C[C@@H]1CCc2ncnn21)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639597366 451963820 /nfs/dbraw/zinc/96/38/20/451963820.db2.gz DZSDHINWUOFBIL-HKUYNNGSSA-N 2 2 341.459 1.334 20 0 EDADLP C[NH+](C[C@@H]1CCc2ncnn21)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639597366 451963823 /nfs/dbraw/zinc/96/38/23/451963823.db2.gz DZSDHINWUOFBIL-HKUYNNGSSA-N 2 2 341.459 1.334 20 0 EDADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCCNc2cccc[nH+]2)cnn1C ZINC000649297994 451975793 /nfs/dbraw/zinc/97/57/93/451975793.db2.gz IXMDNVFGEWJUNJ-CVEARBPZSA-N 2 2 342.447 1.045 20 0 EDADLP C[C@@H]1OCC[C@@]12C[N@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC000639621445 451980169 /nfs/dbraw/zinc/98/01/69/451980169.db2.gz LFGTZAQVGXLQHX-YSIASYRMSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1OCC[C@@]12C[N@@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC000639621445 451980171 /nfs/dbraw/zinc/98/01/71/451980171.db2.gz LFGTZAQVGXLQHX-YSIASYRMSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1OCC[C@@]12C[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC000639621445 451980173 /nfs/dbraw/zinc/98/01/73/451980173.db2.gz LFGTZAQVGXLQHX-YSIASYRMSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1OCC[C@@]12C[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC000639621445 451980174 /nfs/dbraw/zinc/98/01/74/451980174.db2.gz LFGTZAQVGXLQHX-YSIASYRMSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@@H]2C[NH2+]CCOC2)c1)[NH+]1CCOCC1 ZINC000649323187 452003374 /nfs/dbraw/zinc/00/33/74/452003374.db2.gz LCRMZOLGWWWZJU-GDBMZVCRSA-N 2 2 333.432 1.254 20 0 EDADLP COCCC1(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC[NH2+]CC1 ZINC000649328373 452008415 /nfs/dbraw/zinc/00/84/15/452008415.db2.gz UCPWDFNQBJIPOM-UHFFFAOYSA-N 2 2 348.491 1.835 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2cnccc2o1 ZINC000651694391 452018789 /nfs/dbraw/zinc/01/87/89/452018789.db2.gz BLHVSHNNORGJAA-INIZCTEOSA-N 2 2 330.432 1.860 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2cnccc2o1 ZINC000651694391 452018796 /nfs/dbraw/zinc/01/87/96/452018796.db2.gz BLHVSHNNORGJAA-INIZCTEOSA-N 2 2 330.432 1.860 20 0 EDADLP O=C1[C@H]([N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCN1CC(F)(F)F ZINC000639681935 452020409 /nfs/dbraw/zinc/02/04/09/452020409.db2.gz AJUFSJBIUMXAEM-CQSZACIVSA-N 2 2 342.365 1.757 20 0 EDADLP O=C1[C@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCN1CC(F)(F)F ZINC000639681935 452020413 /nfs/dbraw/zinc/02/04/13/452020413.db2.gz AJUFSJBIUMXAEM-CQSZACIVSA-N 2 2 342.365 1.757 20 0 EDADLP C[C@H](c1nccc(N)n1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000653590184 452029455 /nfs/dbraw/zinc/02/94/55/452029455.db2.gz REHLKNRNBWCLLD-JZWPEALZSA-N 2 2 330.480 1.193 20 0 EDADLP C[C@H](c1nccc(N)n1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000653590184 452029460 /nfs/dbraw/zinc/02/94/60/452029460.db2.gz REHLKNRNBWCLLD-JZWPEALZSA-N 2 2 330.480 1.193 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641515916 452048294 /nfs/dbraw/zinc/04/82/94/452048294.db2.gz FLYNZEBLPWFJTM-HNNXBMFYSA-N 2 2 328.482 1.313 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)Cc1cccc(Br)c1 ZINC000653639813 452055259 /nfs/dbraw/zinc/05/52/59/452055259.db2.gz RTDJYPMKBCBRCL-OAHLLOKOSA-N 2 2 345.281 1.556 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)Cc1cccc(Br)c1 ZINC000653639813 452055268 /nfs/dbraw/zinc/05/52/68/452055268.db2.gz RTDJYPMKBCBRCL-OAHLLOKOSA-N 2 2 345.281 1.556 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000653639813 452055274 /nfs/dbraw/zinc/05/52/74/452055274.db2.gz RTDJYPMKBCBRCL-OAHLLOKOSA-N 2 2 345.281 1.556 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000653639813 452055283 /nfs/dbraw/zinc/05/52/83/452055283.db2.gz RTDJYPMKBCBRCL-OAHLLOKOSA-N 2 2 345.281 1.556 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000649480906 452102931 /nfs/dbraw/zinc/10/29/31/452102931.db2.gz YNTCWYORPAZUIA-QXSJWSMHSA-N 2 2 335.452 1.200 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccc(F)c3c2CCCC3)[C@@H](C[NH3+])C1 ZINC000637864193 452119940 /nfs/dbraw/zinc/11/99/40/452119940.db2.gz ONRUZSGQIFXMJT-HNNXBMFYSA-N 2 2 333.451 1.738 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccc(F)c3c2CCCC3)[C@@H](C[NH3+])C1 ZINC000637864193 452119946 /nfs/dbraw/zinc/11/99/46/452119946.db2.gz ONRUZSGQIFXMJT-HNNXBMFYSA-N 2 2 333.451 1.738 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccncc1Cl ZINC000643346190 452144032 /nfs/dbraw/zinc/14/40/32/452144032.db2.gz IUCPSFRULAAJPV-HUUCEWRRSA-N 2 2 338.883 1.792 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)OCC3CC3)CC2)CC1 ZINC000643362779 452150102 /nfs/dbraw/zinc/15/01/02/452150102.db2.gz MGADELHMYAFURH-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)OCC3CC3)CC2)CC1 ZINC000643362779 452150107 /nfs/dbraw/zinc/15/01/07/452150107.db2.gz MGADELHMYAFURH-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C[C@H](C)O)C3CC3)CC2)c1 ZINC000653897468 452165780 /nfs/dbraw/zinc/16/57/80/452165780.db2.gz OKMFSWMEFMRXQB-KRWDZBQOSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C[C@H](C)O)C3CC3)CC2)c1 ZINC000653897468 452165785 /nfs/dbraw/zinc/16/57/85/452165785.db2.gz OKMFSWMEFMRXQB-KRWDZBQOSA-N 2 2 345.487 1.484 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000649625032 452172433 /nfs/dbraw/zinc/17/24/33/452172433.db2.gz RLFBCDSENPENBI-WOJBJXKFSA-N 2 2 344.455 1.682 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000649625032 452172444 /nfs/dbraw/zinc/17/24/44/452172444.db2.gz RLFBCDSENPENBI-WOJBJXKFSA-N 2 2 344.455 1.682 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000645221145 452217511 /nfs/dbraw/zinc/21/75/11/452217511.db2.gz HGYBTVVBRIAYRG-GOSISDBHSA-N 2 2 331.460 1.775 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)no1 ZINC000641725249 452223543 /nfs/dbraw/zinc/22/35/43/452223543.db2.gz JWIYYMDQQBJINS-UHFFFAOYSA-N 2 2 346.431 1.402 20 0 EDADLP CCn1nc(C)c(C[N@H+](C)[C@@H](C)C(=O)N2CC[NH+](CC)CC2)c1C ZINC000639920408 452238932 /nfs/dbraw/zinc/23/89/32/452238932.db2.gz KYBXSEZLZCIHCN-INIZCTEOSA-N 2 2 335.496 1.504 20 0 EDADLP CCn1nc(C)c(C[N@@H+](C)[C@@H](C)C(=O)N2CC[NH+](CC)CC2)c1C ZINC000639920408 452238938 /nfs/dbraw/zinc/23/89/38/452238938.db2.gz KYBXSEZLZCIHCN-INIZCTEOSA-N 2 2 335.496 1.504 20 0 EDADLP CCOC1CC(C[NH2+]Cc2c[nH+]c3n2CCC3)(N2CCOCC2)C1 ZINC000657450080 452254013 /nfs/dbraw/zinc/25/40/13/452254013.db2.gz LVQLFSWHYQRYAY-UHFFFAOYSA-N 2 2 334.464 1.189 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)ccc1C ZINC000641786446 452260446 /nfs/dbraw/zinc/26/04/46/452260446.db2.gz AKSVXJWXNVRJBP-LJQANCHMSA-N 2 2 347.503 1.890 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000643495422 452263938 /nfs/dbraw/zinc/26/39/38/452263938.db2.gz IATOZDFKSBTCLT-HNAYVOBHSA-N 3 2 344.503 1.472 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nc[nH+]1 ZINC000665703488 452264991 /nfs/dbraw/zinc/26/49/91/452264991.db2.gz VJDHONMOQASNBO-WBVHZDCISA-N 2 2 341.459 1.980 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)nc[nH+]1 ZINC000665703488 452265002 /nfs/dbraw/zinc/26/50/02/452265002.db2.gz VJDHONMOQASNBO-WBVHZDCISA-N 2 2 341.459 1.980 20 0 EDADLP COCc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC000641788634 452265758 /nfs/dbraw/zinc/26/57/58/452265758.db2.gz SKPYFJVDZQFFNG-MRXNPFEDSA-N 2 2 337.464 1.312 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000665709996 452271775 /nfs/dbraw/zinc/27/17/75/452271775.db2.gz VDJDUUUKTTZCIA-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(CO)cc3)C2)CC1 ZINC000645294677 452274615 /nfs/dbraw/zinc/27/46/15/452274615.db2.gz HPKWCDIJWYTXMU-KRWDZBQOSA-N 2 2 346.475 1.147 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(CO)cc3)C2)CC1 ZINC000645294677 452274628 /nfs/dbraw/zinc/27/46/28/452274628.db2.gz HPKWCDIJWYTXMU-KRWDZBQOSA-N 2 2 346.475 1.147 20 0 EDADLP C[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1Cc1ccccc1 ZINC000665718018 452283275 /nfs/dbraw/zinc/28/32/75/452283275.db2.gz FQRXXUNFYLFHLD-OAHLLOKOSA-N 2 2 325.416 1.644 20 0 EDADLP C[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1Cc1ccccc1 ZINC000665718018 452283283 /nfs/dbraw/zinc/28/32/83/452283283.db2.gz FQRXXUNFYLFHLD-OAHLLOKOSA-N 2 2 325.416 1.644 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000638052037 452328119 /nfs/dbraw/zinc/32/81/19/452328119.db2.gz VPXHPPDNENFUBL-HKUYNNGSSA-N 2 2 331.460 1.406 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCc1ccc(C[NH3+])cc1F)[NH+]1CCOCC1 ZINC000652147074 452339938 /nfs/dbraw/zinc/33/99/38/452339938.db2.gz GWPWYYDHBLASLN-QWHCGFSZSA-N 2 2 338.427 1.193 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccnn3CC3CCC3)CC2)C1 ZINC000638056793 452342634 /nfs/dbraw/zinc/34/26/34/452342634.db2.gz NJDCULWCWKUXCY-SFHVURJKSA-N 2 2 331.508 1.895 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccnn3CC3CCC3)CC2)C1 ZINC000638056793 452342641 /nfs/dbraw/zinc/34/26/41/452342641.db2.gz NJDCULWCWKUXCY-SFHVURJKSA-N 2 2 331.508 1.895 20 0 EDADLP Cc1cc(N2CCN(C(=O)C3=CC[C@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000638059638 452349849 /nfs/dbraw/zinc/34/98/49/452349849.db2.gz VTJGOXMWARNNSA-HNNXBMFYSA-N 2 2 329.448 1.605 20 0 EDADLP C[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000659511158 452376179 /nfs/dbraw/zinc/37/61/79/452376179.db2.gz PTDAGPNZKSLCJR-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000663642051 452384201 /nfs/dbraw/zinc/38/42/01/452384201.db2.gz OIYPNKCMHQTZOJ-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000663642051 452384209 /nfs/dbraw/zinc/38/42/09/452384209.db2.gz OIYPNKCMHQTZOJ-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP O=C(NCC[NH2+]C1CCCCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659523203 452386606 /nfs/dbraw/zinc/38/66/06/452386606.db2.gz JXERZHXHRJFKAO-KRWDZBQOSA-N 2 2 338.496 1.415 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654373515 452425612 /nfs/dbraw/zinc/42/56/12/452425612.db2.gz KCGFHUAAKKCYND-CVEARBPZSA-N 2 2 331.464 1.964 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654373515 452425617 /nfs/dbraw/zinc/42/56/17/452425617.db2.gz KCGFHUAAKKCYND-CVEARBPZSA-N 2 2 331.464 1.964 20 0 EDADLP COc1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000663694377 452431736 /nfs/dbraw/zinc/43/17/36/452431736.db2.gz FKCNMFOPQARWDO-UHFFFAOYSA-N 2 2 340.443 1.517 20 0 EDADLP COc1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000663694377 452431743 /nfs/dbraw/zinc/43/17/43/452431743.db2.gz FKCNMFOPQARWDO-UHFFFAOYSA-N 2 2 340.443 1.517 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000652287785 452471395 /nfs/dbraw/zinc/47/13/95/452471395.db2.gz HVPBNKVQLCSYBQ-INIZCTEOSA-N 2 2 327.432 1.839 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)cc2[nH+]1 ZINC000657730225 452482362 /nfs/dbraw/zinc/48/23/62/452482362.db2.gz YSHJZOGHIBGPRB-ABAIWWIYSA-N 2 2 341.415 1.180 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2[nH+]1 ZINC000657730225 452482371 /nfs/dbraw/zinc/48/23/71/452482371.db2.gz YSHJZOGHIBGPRB-ABAIWWIYSA-N 2 2 341.415 1.180 20 0 EDADLP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc2c1OCCO2 ZINC000657751275 452498883 /nfs/dbraw/zinc/49/88/83/452498883.db2.gz OTTWULBKNDAYTE-INIZCTEOSA-N 2 2 348.443 1.809 20 0 EDADLP c1nc(N2CCCC2)ncc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751049 452499451 /nfs/dbraw/zinc/49/94/51/452499451.db2.gz NYAVYRCLFXPTTJ-KRWDZBQOSA-N 2 2 331.464 1.420 20 0 EDADLP C[C@]12COC[C@@H]1C[N@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000661703316 452505914 /nfs/dbraw/zinc/50/59/14/452505914.db2.gz DMAORPLPMKVAAU-WMZOPIPTSA-N 2 2 349.500 1.361 20 0 EDADLP C[C@]12COC[C@@H]1C[N@@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000661703316 452505928 /nfs/dbraw/zinc/50/59/28/452505928.db2.gz DMAORPLPMKVAAU-WMZOPIPTSA-N 2 2 349.500 1.361 20 0 EDADLP c1cc(CN2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)ccn1 ZINC000655695088 452517745 /nfs/dbraw/zinc/51/77/45/452517745.db2.gz QIBKKTCVRJIKOK-FQEVSTJZSA-N 2 2 344.503 1.889 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357220 452534871 /nfs/dbraw/zinc/53/48/71/452534871.db2.gz CCYQPPSLFWBOMI-LUXYFRNMSA-N 2 2 349.475 1.557 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357220 452534881 /nfs/dbraw/zinc/53/48/81/452534881.db2.gz CCYQPPSLFWBOMI-LUXYFRNMSA-N 2 2 349.475 1.557 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C[C@H]1C[NH3+] ZINC000652357496 452536967 /nfs/dbraw/zinc/53/69/67/452536967.db2.gz SPUJZMFKTFYRTC-SJLPKXTDSA-N 2 2 331.460 1.473 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C[C@H]1C[NH3+] ZINC000652357496 452536976 /nfs/dbraw/zinc/53/69/76/452536976.db2.gz SPUJZMFKTFYRTC-SJLPKXTDSA-N 2 2 331.460 1.473 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NCCOc1ccc(F)cc1 ZINC000647815175 452546084 /nfs/dbraw/zinc/54/60/84/452546084.db2.gz SGUHZHDEEWJOAN-UHFFFAOYSA-N 2 2 335.423 1.537 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NCCOc1ccc(F)cc1 ZINC000647815175 452546091 /nfs/dbraw/zinc/54/60/91/452546091.db2.gz SGUHZHDEEWJOAN-UHFFFAOYSA-N 2 2 335.423 1.537 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000655732811 452547375 /nfs/dbraw/zinc/54/73/75/452547375.db2.gz MERXAETXASMNNH-CVEARBPZSA-N 2 2 331.464 1.691 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000655732811 452547388 /nfs/dbraw/zinc/54/73/88/452547388.db2.gz MERXAETXASMNNH-CVEARBPZSA-N 2 2 331.464 1.691 20 0 EDADLP COCCNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655748690 452557573 /nfs/dbraw/zinc/55/75/73/452557573.db2.gz GSKUUFBYRNCWQW-IRXDYDNUSA-N 2 2 341.496 1.007 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655757426 452562415 /nfs/dbraw/zinc/56/24/15/452562415.db2.gz RYQGNDKGPCJIQA-HKUYNNGSSA-N 3 2 338.540 1.245 20 0 EDADLP c1nnn(-c2ccccc2)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655770942 452569903 /nfs/dbraw/zinc/56/99/03/452569903.db2.gz VDWANFXYVSIHLA-KRWDZBQOSA-N 2 2 327.432 1.610 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000663849791 452576088 /nfs/dbraw/zinc/57/60/88/452576088.db2.gz LYZUGTKSFZJVLO-QWHCGFSZSA-N 2 2 325.457 1.119 20 0 EDADLP O=C(CC[NH2+][C@H]1CCCSCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000657864876 452576825 /nfs/dbraw/zinc/57/68/25/452576825.db2.gz SEIPSUFJZIMBNO-INIZCTEOSA-N 2 2 348.516 1.996 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(F)cc1F ZINC000663857710 452583924 /nfs/dbraw/zinc/58/39/24/452583924.db2.gz ATGQMMGCQQRPLC-UHFFFAOYSA-N 2 2 328.407 1.648 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(F)cc1F ZINC000663857710 452583929 /nfs/dbraw/zinc/58/39/29/452583929.db2.gz ATGQMMGCQQRPLC-UHFFFAOYSA-N 2 2 328.407 1.648 20 0 EDADLP Cc1cccc(NC[C@@H]2CCN(c3nc[nH+]c4c3OCCN4)C2)[nH+]1 ZINC000647864956 452603422 /nfs/dbraw/zinc/60/34/22/452603422.db2.gz RJVMFEUNPVDKPK-ZDUSSCGKSA-N 2 2 326.404 1.923 20 0 EDADLP Cc1cccc(NC[C@@H]2CCN(c3[nH+]cnc4c3OCCN4)C2)[nH+]1 ZINC000647864956 452603425 /nfs/dbraw/zinc/60/34/25/452603425.db2.gz RJVMFEUNPVDKPK-ZDUSSCGKSA-N 2 2 326.404 1.923 20 0 EDADLP Fc1cc(Br)cc2c1CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000647891423 452630175 /nfs/dbraw/zinc/63/01/75/452630175.db2.gz ASESNDDLNCGQKZ-UHFFFAOYSA-N 2 2 342.256 1.852 20 0 EDADLP Fc1cc(Br)cc2c1CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000647891423 452630181 /nfs/dbraw/zinc/63/01/81/452630181.db2.gz ASESNDDLNCGQKZ-UHFFFAOYSA-N 2 2 342.256 1.852 20 0 EDADLP Cc1cn2nc(N[C@H]3CC[N@H+](CCn4cc[nH+]c4C)C3)ccc2n1 ZINC000647947003 452692001 /nfs/dbraw/zinc/69/20/01/452692001.db2.gz FAXVDUYOZKTRRP-HNNXBMFYSA-N 2 2 325.420 1.729 20 0 EDADLP Cc1cn2nc(N[C@H]3CC[N@@H+](CCn4cc[nH+]c4C)C3)ccc2n1 ZINC000647947003 452692006 /nfs/dbraw/zinc/69/20/06/452692006.db2.gz FAXVDUYOZKTRRP-HNNXBMFYSA-N 2 2 325.420 1.729 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCc2noc3ccccc32)C1 ZINC000655937635 452706989 /nfs/dbraw/zinc/70/69/89/452706989.db2.gz DANDAQXFDRXZSS-CQSZACIVSA-N 2 2 328.416 1.267 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655937635 452706996 /nfs/dbraw/zinc/70/69/96/452706996.db2.gz DANDAQXFDRXZSS-CQSZACIVSA-N 2 2 328.416 1.267 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000647968786 452712867 /nfs/dbraw/zinc/71/28/67/452712867.db2.gz YITYZQKUSWGAHU-CVEARBPZSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000647968786 452712883 /nfs/dbraw/zinc/71/28/83/452712883.db2.gz YITYZQKUSWGAHU-CVEARBPZSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000647968786 452712889 /nfs/dbraw/zinc/71/28/89/452712889.db2.gz YITYZQKUSWGAHU-CVEARBPZSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000647968786 452712899 /nfs/dbraw/zinc/71/28/99/452712899.db2.gz YITYZQKUSWGAHU-CVEARBPZSA-N 2 2 331.464 1.610 20 0 EDADLP c1nc(N2CCC([N@@H+]3CCCOCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000664010092 452713231 /nfs/dbraw/zinc/71/32/31/452713231.db2.gz SMXPEVOMFNIFDN-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP c1nc(N2CCC([N@H+]3CCCOCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000664010092 452713234 /nfs/dbraw/zinc/71/32/34/452713234.db2.gz SMXPEVOMFNIFDN-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP c1nc(N2CCCC2)cc(N2CCC([N@@H+]3CCCOCC3)CC2)[nH+]1 ZINC000664010092 452713239 /nfs/dbraw/zinc/71/32/39/452713239.db2.gz SMXPEVOMFNIFDN-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP c1nc(N2CCCC2)cc(N2CCC([N@H+]3CCCOCC3)CC2)[nH+]1 ZINC000664010092 452713245 /nfs/dbraw/zinc/71/32/45/452713245.db2.gz SMXPEVOMFNIFDN-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP C[NH+](C)C[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971192 452715272 /nfs/dbraw/zinc/71/52/72/452715272.db2.gz YAWHUVLZFTWRAB-OALUTQOASA-N 4 2 336.568 1.924 20 0 EDADLP C[NH+](C)C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971192 452715278 /nfs/dbraw/zinc/71/52/78/452715278.db2.gz YAWHUVLZFTWRAB-OALUTQOASA-N 4 2 336.568 1.924 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659867917 452747072 /nfs/dbraw/zinc/74/70/72/452747072.db2.gz YGDYJKGSKZHMTB-OAGGEKHMSA-N 2 2 331.451 1.901 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000661997088 452751964 /nfs/dbraw/zinc/75/19/64/452751964.db2.gz JRYVOVLDJRCCRL-UHFFFAOYSA-N 2 2 335.492 1.478 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000661997088 452751976 /nfs/dbraw/zinc/75/19/76/452751976.db2.gz JRYVOVLDJRCCRL-UHFFFAOYSA-N 2 2 335.492 1.478 20 0 EDADLP C[C@]1(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1(F)F ZINC000658219867 452793500 /nfs/dbraw/zinc/79/35/00/452793500.db2.gz JSTCEGGZNCZYSH-INIZCTEOSA-N 2 2 331.451 1.808 20 0 EDADLP C[C@]1(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1(F)F ZINC000658219867 452793504 /nfs/dbraw/zinc/79/35/04/452793504.db2.gz JSTCEGGZNCZYSH-INIZCTEOSA-N 2 2 331.451 1.808 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC4(COC4)C3)CC2)c1 ZINC000662076578 452822728 /nfs/dbraw/zinc/82/27/28/452822728.db2.gz NWUPGZMDTSIIIQ-UHFFFAOYSA-N 2 2 343.471 1.362 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC4(COC4)C3)CC2)c1 ZINC000662076578 452822739 /nfs/dbraw/zinc/82/27/39/452822739.db2.gz NWUPGZMDTSIIIQ-UHFFFAOYSA-N 2 2 343.471 1.362 20 0 EDADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000658286473 452830563 /nfs/dbraw/zinc/83/05/63/452830563.db2.gz TVAULMABVUTVPV-RHSMWYFYSA-N 2 2 337.489 1.785 20 0 EDADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000658286473 452830569 /nfs/dbraw/zinc/83/05/69/452830569.db2.gz TVAULMABVUTVPV-RHSMWYFYSA-N 2 2 337.489 1.785 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1[nH+]ccn1C ZINC000662095574 452838619 /nfs/dbraw/zinc/83/86/19/452838619.db2.gz HWDOEAGSRAMVIM-UONOGXRCSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1[nH+]ccn1C ZINC000662095574 452838627 /nfs/dbraw/zinc/83/86/27/452838627.db2.gz HWDOEAGSRAMVIM-UONOGXRCSA-N 2 2 335.452 1.376 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000648130116 452843797 /nfs/dbraw/zinc/84/37/97/452843797.db2.gz JAOOVPQSYKXAMM-HOCLYGCPSA-N 2 2 327.432 1.965 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc[nH+]cc1Br ZINC000664196992 452869208 /nfs/dbraw/zinc/86/92/08/452869208.db2.gz XQTJOEITCOSUHF-LBPRGKRZSA-N 3 2 329.286 1.950 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc[nH+]cc1Br ZINC000664196992 452869220 /nfs/dbraw/zinc/86/92/20/452869220.db2.gz XQTJOEITCOSUHF-LBPRGKRZSA-N 3 2 329.286 1.950 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H]1CC[N@H+](C)C1 ZINC000658361048 452870384 /nfs/dbraw/zinc/87/03/84/452870384.db2.gz TZLSYTAZVKGNKD-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H]1CC[N@@H+](C)C1 ZINC000658361048 452870395 /nfs/dbraw/zinc/87/03/95/452870395.db2.gz TZLSYTAZVKGNKD-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CC(C)(C)[NH3+])CC1 ZINC000648164664 452873849 /nfs/dbraw/zinc/87/38/49/452873849.db2.gz GDXSRCSJBYHKRY-UHFFFAOYSA-N 2 2 332.448 1.417 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662155763 452894609 /nfs/dbraw/zinc/89/46/09/452894609.db2.gz GQMMVBXUZBMMNK-DFGXFYAUSA-N 2 2 337.508 1.410 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662155763 452894610 /nfs/dbraw/zinc/89/46/10/452894610.db2.gz GQMMVBXUZBMMNK-DFGXFYAUSA-N 2 2 337.508 1.410 20 0 EDADLP Cc1c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1CC(C)C ZINC000666487377 452904595 /nfs/dbraw/zinc/90/45/95/452904595.db2.gz RRUXVLRKZBIGNC-UHFFFAOYSA-N 2 2 338.500 1.853 20 0 EDADLP Cc1c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1CC(C)C ZINC000666487377 452904601 /nfs/dbraw/zinc/90/46/01/452904601.db2.gz RRUXVLRKZBIGNC-UHFFFAOYSA-N 2 2 338.500 1.853 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645930884 452906586 /nfs/dbraw/zinc/90/65/86/452906586.db2.gz VELTVFVUAGLKSJ-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645930884 452906592 /nfs/dbraw/zinc/90/65/92/452906592.db2.gz VELTVFVUAGLKSJ-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1nn(C(C)C)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654775023 452908103 /nfs/dbraw/zinc/90/81/03/452908103.db2.gz BMLJFZJJNNEYHV-OAHLLOKOSA-N 2 2 333.480 1.671 20 0 EDADLP Cc1nn(C(C)C)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654775023 452908109 /nfs/dbraw/zinc/90/81/09/452908109.db2.gz BMLJFZJJNNEYHV-OAHLLOKOSA-N 2 2 333.480 1.671 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)CO1 ZINC000664234108 452909249 /nfs/dbraw/zinc/90/92/49/452909249.db2.gz QLTWXDJIEOFQRZ-BFZKSOEOSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)CO1 ZINC000664234108 452909254 /nfs/dbraw/zinc/90/92/54/452909254.db2.gz QLTWXDJIEOFQRZ-BFZKSOEOSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)CO1 ZINC000664234108 452909261 /nfs/dbraw/zinc/90/92/61/452909261.db2.gz QLTWXDJIEOFQRZ-BFZKSOEOSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)CO1 ZINC000664234108 452909269 /nfs/dbraw/zinc/90/92/69/452909269.db2.gz QLTWXDJIEOFQRZ-BFZKSOEOSA-N 2 2 338.496 1.410 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000645977530 452961897 /nfs/dbraw/zinc/96/18/97/452961897.db2.gz FMKUEVUGMFROGI-SZMVWBNQSA-N 3 2 336.524 1.569 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000645977530 452961906 /nfs/dbraw/zinc/96/19/06/452961906.db2.gz FMKUEVUGMFROGI-SZMVWBNQSA-N 3 2 336.524 1.569 20 0 EDADLP CCC1(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCOCC1 ZINC000664287589 452967597 /nfs/dbraw/zinc/96/75/97/452967597.db2.gz QKHSWMRBLCMZTK-UHFFFAOYSA-N 2 2 328.501 1.376 20 0 EDADLP CCC1(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCOCC1 ZINC000664287589 452967602 /nfs/dbraw/zinc/96/76/02/452967602.db2.gz QKHSWMRBLCMZTK-UHFFFAOYSA-N 2 2 328.501 1.376 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC000644036949 452967740 /nfs/dbraw/zinc/96/77/40/452967740.db2.gz ZZHCXSUBEAQSPI-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC000644036949 452967747 /nfs/dbraw/zinc/96/77/47/452967747.db2.gz ZZHCXSUBEAQSPI-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000664290415 452969865 /nfs/dbraw/zinc/96/98/65/452969865.db2.gz JLRTWNARTQTMDX-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000664290415 452969878 /nfs/dbraw/zinc/96/98/78/452969878.db2.gz JLRTWNARTQTMDX-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP CN1CCN(c2cc(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)nc[nH+]2)CC1=O ZINC000656228358 452976666 /nfs/dbraw/zinc/97/66/66/452976666.db2.gz WFXZNFWPEAQTRE-GJZGRUSLSA-N 2 2 344.463 1.184 20 0 EDADLP CN1CCN(c2cc(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)nc[nH+]2)CC1=O ZINC000656228358 452976671 /nfs/dbraw/zinc/97/66/71/452976671.db2.gz WFXZNFWPEAQTRE-GJZGRUSLSA-N 2 2 344.463 1.184 20 0 EDADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255061 452983170 /nfs/dbraw/zinc/98/31/70/452983170.db2.gz WBSQHBBDPCHEGD-FUHWJXTLSA-N 2 2 346.475 1.817 20 0 EDADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255061 452983179 /nfs/dbraw/zinc/98/31/79/452983179.db2.gz WBSQHBBDPCHEGD-FUHWJXTLSA-N 2 2 346.475 1.817 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000664314609 452989670 /nfs/dbraw/zinc/98/96/70/452989670.db2.gz NAKAVTSVKBIVGE-ZDUSSCGKSA-N 2 2 339.867 1.911 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)c1ccc(Cl)cc1 ZINC000664314609 452989676 /nfs/dbraw/zinc/98/96/76/452989676.db2.gz NAKAVTSVKBIVGE-ZDUSSCGKSA-N 2 2 339.867 1.911 20 0 EDADLP Cn1cnc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC000660077770 452995657 /nfs/dbraw/zinc/99/56/57/452995657.db2.gz WKXWTGPXYHYHQU-UHFFFAOYSA-N 2 2 343.475 1.683 20 0 EDADLP Cn1c[nH+]c(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC000660077770 452995666 /nfs/dbraw/zinc/99/56/66/452995666.db2.gz WKXWTGPXYHYHQU-UHFFFAOYSA-N 2 2 343.475 1.683 20 0 EDADLP CO[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648316172 452999510 /nfs/dbraw/zinc/99/95/10/452999510.db2.gz LGXLPPWYXOSLSJ-IEBWSBKVSA-N 2 2 345.487 1.529 20 0 EDADLP CO[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648316172 452999521 /nfs/dbraw/zinc/99/95/21/452999521.db2.gz LGXLPPWYXOSLSJ-IEBWSBKVSA-N 2 2 345.487 1.529 20 0 EDADLP C[C@@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1cccc2ccccc21 ZINC000662285619 453008674 /nfs/dbraw/zinc/00/86/74/453008674.db2.gz HTERZAJNADXSLW-OAHLLOKOSA-N 2 2 341.455 1.721 20 0 EDADLP CC(C)(C)[C@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1cccs1 ZINC000662286414 453012387 /nfs/dbraw/zinc/01/23/87/453012387.db2.gz GZWIENBKEHDOSO-OAHLLOKOSA-N 2 2 339.505 1.656 20 0 EDADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286662 453012852 /nfs/dbraw/zinc/01/28/52/453012852.db2.gz VUCMMMDYWMAEGO-UHFFFAOYSA-N 2 2 343.830 1.142 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319215 453034738 /nfs/dbraw/zinc/03/47/38/453034738.db2.gz KTKSUSBUMQUBML-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319215 453034746 /nfs/dbraw/zinc/03/47/46/453034746.db2.gz KTKSUSBUMQUBML-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319625 453035174 /nfs/dbraw/zinc/03/51/74/453035174.db2.gz PBIZMWIUOSCXEH-LJQANCHMSA-N 2 2 347.503 1.996 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319625 453035182 /nfs/dbraw/zinc/03/51/82/453035182.db2.gz PBIZMWIUOSCXEH-LJQANCHMSA-N 2 2 347.503 1.996 20 0 EDADLP C[C@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000654928725 453042271 /nfs/dbraw/zinc/04/22/71/453042271.db2.gz KJHQDSJAQQKRCT-SDDRHHMPSA-N 2 2 348.369 1.291 20 0 EDADLP C[C@H](NC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000654928725 453042275 /nfs/dbraw/zinc/04/22/75/453042275.db2.gz KJHQDSJAQQKRCT-SDDRHHMPSA-N 2 2 348.369 1.291 20 0 EDADLP C[C@H](NC(=O)c1ccc(C[NH3+])o1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065560 453078677 /nfs/dbraw/zinc/07/86/77/453078677.db2.gz SUAZMAMMQRFBDW-KSSFIOAISA-N 2 2 343.427 1.758 20 0 EDADLP C[C@H](NC(=O)c1ccc(C[NH3+])o1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065560 453078684 /nfs/dbraw/zinc/07/86/84/453078684.db2.gz SUAZMAMMQRFBDW-KSSFIOAISA-N 2 2 343.427 1.758 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc2c(s1)CC[NH2+]C2 ZINC000662377981 453086060 /nfs/dbraw/zinc/08/60/60/453086060.db2.gz VXAQRGICUFBWOC-UHFFFAOYSA-N 2 2 330.457 1.899 20 0 EDADLP C[C@@H]1CN(CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000660155218 453086295 /nfs/dbraw/zinc/08/62/95/453086295.db2.gz NBLMLGFDTCGZQF-YRXWBPOGSA-N 2 2 338.540 1.053 20 0 EDADLP C[C@@H]1CN(CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000660155218 453086304 /nfs/dbraw/zinc/08/63/04/453086304.db2.gz NBLMLGFDTCGZQF-YRXWBPOGSA-N 2 2 338.540 1.053 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000660155218 453086313 /nfs/dbraw/zinc/08/63/13/453086313.db2.gz NBLMLGFDTCGZQF-YRXWBPOGSA-N 2 2 338.540 1.053 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000660155218 453086316 /nfs/dbraw/zinc/08/63/16/453086316.db2.gz NBLMLGFDTCGZQF-YRXWBPOGSA-N 2 2 338.540 1.053 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000666753530 453117892 /nfs/dbraw/zinc/11/78/92/453117892.db2.gz YURIFGXRJVYENS-BBWFWOEESA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000666753530 453117898 /nfs/dbraw/zinc/11/78/98/453117898.db2.gz YURIFGXRJVYENS-BBWFWOEESA-N 2 2 340.512 1.515 20 0 EDADLP CN1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000656365548 453140337 /nfs/dbraw/zinc/14/03/37/453140337.db2.gz JTUSZPXOZCYRFH-OAHLLOKOSA-N 2 2 339.403 1.256 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000662458242 453167287 /nfs/dbraw/zinc/16/72/87/453167287.db2.gz RWYBHDJWESRCRL-AWEZNQCLSA-N 3 2 348.516 1.292 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000662458242 453167293 /nfs/dbraw/zinc/16/72/93/453167293.db2.gz RWYBHDJWESRCRL-AWEZNQCLSA-N 3 2 348.516 1.292 20 0 EDADLP CC(C)Oc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000666823802 453169071 /nfs/dbraw/zinc/16/90/71/453169071.db2.gz VLFZFIGOHOVXBZ-UHFFFAOYSA-N 2 2 338.456 1.269 20 0 EDADLP CC(C)Oc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000666823802 453169077 /nfs/dbraw/zinc/16/90/77/453169077.db2.gz VLFZFIGOHOVXBZ-UHFFFAOYSA-N 2 2 338.456 1.269 20 0 EDADLP Cc1cc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000664536768 453175611 /nfs/dbraw/zinc/17/56/11/453175611.db2.gz RPZVSNGMOFBXSN-IBGZPJMESA-N 2 2 342.443 1.769 20 0 EDADLP Cc1cc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000664536768 453175616 /nfs/dbraw/zinc/17/56/16/453175616.db2.gz RPZVSNGMOFBXSN-IBGZPJMESA-N 2 2 342.443 1.769 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@]3(C)COC[C@]3(C)C2)CC1 ZINC000664537714 453176185 /nfs/dbraw/zinc/17/61/85/453176185.db2.gz QDSUTGGOFBLLOJ-HDICACEKSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H]1CCO ZINC000664538125 453177879 /nfs/dbraw/zinc/17/78/79/453177879.db2.gz YZMKWMPNSCENNS-WBVHZDCISA-N 2 2 340.512 1.205 20 0 EDADLP CO[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000664539589 453179571 /nfs/dbraw/zinc/17/95/71/453179571.db2.gz NZIQIXMZLDKBQI-QGZVFWFLSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000651012209 453186630 /nfs/dbraw/zinc/18/66/30/453186630.db2.gz LFCVFEYCXITDFN-RDJZCZTQSA-N 2 2 332.448 1.077 20 0 EDADLP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000662478199 453191512 /nfs/dbraw/zinc/19/15/12/453191512.db2.gz BDCCEVSJXNGNAJ-FUHWJXTLSA-N 2 2 329.444 1.544 20 0 EDADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCN1C(=O)CN(C)C1=O ZINC000660304209 453195227 /nfs/dbraw/zinc/19/52/27/453195227.db2.gz BUWREIFLNUIJRO-KRWDZBQOSA-N 2 2 346.475 1.627 20 0 EDADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCN1C(=O)CN(C)C1=O ZINC000660304209 453195236 /nfs/dbraw/zinc/19/52/36/453195236.db2.gz BUWREIFLNUIJRO-KRWDZBQOSA-N 2 2 346.475 1.627 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC3(C)CC[NH2+]CC3)cn21 ZINC000646203547 453215110 /nfs/dbraw/zinc/21/51/10/453215110.db2.gz OLNXRFMHMQXWJS-UHFFFAOYSA-N 2 2 329.448 1.874 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000653066620 453245188 /nfs/dbraw/zinc/24/51/88/453245188.db2.gz ZXUFUXCQSZRQRS-CABCVRRESA-N 2 2 334.420 1.022 20 0 EDADLP C[C@@H](CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)n1cc[nH+]c1 ZINC000651087036 453257058 /nfs/dbraw/zinc/25/70/58/453257058.db2.gz QSVIHUIFUBUDPV-KRWDZBQOSA-N 2 2 341.459 1.773 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000648777605 453257895 /nfs/dbraw/zinc/25/78/95/453257895.db2.gz NIRVAARPARFMCO-MRXNPFEDSA-N 2 2 335.496 1.493 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000648777605 453257904 /nfs/dbraw/zinc/25/79/04/453257904.db2.gz NIRVAARPARFMCO-MRXNPFEDSA-N 2 2 335.496 1.493 20 0 EDADLP COCCOc1c(Cl)cccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653079862 453259742 /nfs/dbraw/zinc/25/97/42/453259742.db2.gz PSTLACOSANOKRM-LBPRGKRZSA-N 2 2 329.828 1.583 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000653081413 453262372 /nfs/dbraw/zinc/26/23/72/453262372.db2.gz OCVLHIRHTIPZRG-DLBZAZTESA-N 2 2 337.439 1.612 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780403 453262605 /nfs/dbraw/zinc/26/26/05/453262605.db2.gz HTDWTIHWNWTRDG-CVEARBPZSA-N 3 2 347.507 1.681 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780403 453262618 /nfs/dbraw/zinc/26/26/18/453262618.db2.gz HTDWTIHWNWTRDG-CVEARBPZSA-N 3 2 347.507 1.681 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265052 453272333 /nfs/dbraw/zinc/27/23/33/453272333.db2.gz KFEYOMJCFOAALK-QHHYFVSCSA-N 2 2 344.459 1.309 20 0 EDADLP COC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000653093907 453277033 /nfs/dbraw/zinc/27/70/33/453277033.db2.gz QRGFCRNGARVNOF-ZIAGYGMSSA-N 2 2 347.381 1.788 20 0 EDADLP CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C12CCCCC2 ZINC000653096244 453279279 /nfs/dbraw/zinc/27/92/79/453279279.db2.gz GWCLMJKDZRWEBX-ARFHVFGLSA-N 2 2 325.497 1.852 20 0 EDADLP COc1cccc(-c2noc([C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)n2)c1 ZINC000653101786 453284502 /nfs/dbraw/zinc/28/45/02/453284502.db2.gz GKUNGWNWMSGXNO-BXUZGUMPSA-N 2 2 347.419 1.201 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000666971745 453287022 /nfs/dbraw/zinc/28/70/22/453287022.db2.gz FUGFYHUELXOBDX-GOEBONIOSA-N 2 2 347.463 1.552 20 0 EDADLP Cn1ccnc1[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1F ZINC000653107131 453289425 /nfs/dbraw/zinc/28/94/25/453289425.db2.gz ZBRZNYYMJLMGQS-CABCVRRESA-N 2 2 333.411 1.044 20 0 EDADLP CC(C)c1nc(N2CCO[C@H](CCC[NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000664658030 453292004 /nfs/dbraw/zinc/29/20/04/453292004.db2.gz OISWHIHYQAEAFP-CQSZACIVSA-N 2 2 336.484 1.608 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660422402 453294422 /nfs/dbraw/zinc/29/44/22/453294422.db2.gz DVFMLKOVOMMHSS-DOTOQJQBSA-N 2 2 327.432 1.845 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660422402 453294429 /nfs/dbraw/zinc/29/44/29/453294429.db2.gz DVFMLKOVOMMHSS-DOTOQJQBSA-N 2 2 327.432 1.845 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000653110822 453295013 /nfs/dbraw/zinc/29/50/13/453295013.db2.gz VPOVOLIGOXSFJC-ROUUACIJSA-N 2 2 331.460 1.566 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000653113901 453300764 /nfs/dbraw/zinc/30/07/64/453300764.db2.gz RHKYQTCRGZYKJH-LJQANCHMSA-N 3 2 346.519 1.958 20 0 EDADLP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c2)CC1 ZINC000653113845 453302026 /nfs/dbraw/zinc/30/20/26/453302026.db2.gz PJKNZZMIRIOJTC-LJQANCHMSA-N 3 2 346.519 1.814 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119176 453308905 /nfs/dbraw/zinc/30/89/05/453308905.db2.gz AJOBPYJGBDSSGA-HOTGVXAUSA-N 2 2 336.455 1.498 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC([C@H]3CCC[NH2+]C3)CC2)[nH+]1 ZINC000656608096 453316090 /nfs/dbraw/zinc/31/60/90/453316090.db2.gz HYFOJVDAVXZCEP-INIZCTEOSA-N 2 2 331.464 1.529 20 0 EDADLP c1nc(N2CCC([C@H]3CCC[NH2+]C3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000656608096 453316094 /nfs/dbraw/zinc/31/60/94/453316094.db2.gz HYFOJVDAVXZCEP-INIZCTEOSA-N 2 2 331.464 1.529 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471591 453330862 /nfs/dbraw/zinc/33/08/62/453330862.db2.gz BIIKJKOHCRSYBL-IAGOWNOFSA-N 2 2 341.496 1.104 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471591 453330865 /nfs/dbraw/zinc/33/08/65/453330865.db2.gz BIIKJKOHCRSYBL-IAGOWNOFSA-N 2 2 341.496 1.104 20 0 EDADLP COc1cc(C)c(Br)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653153391 453342910 /nfs/dbraw/zinc/34/29/10/453342910.db2.gz OBZOKAMQDUNUIG-LLVKDONJSA-N 2 2 344.253 1.984 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000653156612 453347429 /nfs/dbraw/zinc/34/74/29/453347429.db2.gz GKBVEWLKYNRESG-CQSZACIVSA-N 2 2 342.846 1.407 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000653156543 453347479 /nfs/dbraw/zinc/34/74/79/453347479.db2.gz DXRKHUKZZUOZGS-HUUCEWRRSA-N 2 2 343.830 1.658 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1Br ZINC000653166377 453358713 /nfs/dbraw/zinc/35/87/13/453358713.db2.gz FHTKVPLISMIOBB-LBPRGKRZSA-N 2 2 348.672 1.998 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662670439 453385201 /nfs/dbraw/zinc/38/52/01/453385201.db2.gz HADOKIMMLXSYAS-UHFFFAOYSA-N 2 2 327.388 1.957 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000648925113 453402805 /nfs/dbraw/zinc/40/28/05/453402805.db2.gz WDHNRLOPKRWGAQ-INIZCTEOSA-N 2 2 349.523 1.929 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000648925113 453402809 /nfs/dbraw/zinc/40/28/09/453402809.db2.gz WDHNRLOPKRWGAQ-INIZCTEOSA-N 2 2 349.523 1.929 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4n(n3)CCCC4)C2)CC1 ZINC000648926341 453403125 /nfs/dbraw/zinc/40/31/25/453403125.db2.gz ASVNNKIHDUORHY-CQSZACIVSA-N 2 2 331.464 1.118 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4n(n3)CCCC4)C2)CC1 ZINC000648926341 453403129 /nfs/dbraw/zinc/40/31/29/453403129.db2.gz ASVNNKIHDUORHY-CQSZACIVSA-N 2 2 331.464 1.118 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000662755048 453492125 /nfs/dbraw/zinc/49/21/25/453492125.db2.gz CKYMTLNVRDLXJT-AWEZNQCLSA-N 2 2 345.447 1.374 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000662755048 453492128 /nfs/dbraw/zinc/49/21/28/453492128.db2.gz CKYMTLNVRDLXJT-AWEZNQCLSA-N 2 2 345.447 1.374 20 0 EDADLP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1[nH+]ccn1C ZINC000667256076 453516334 /nfs/dbraw/zinc/51/63/34/453516334.db2.gz CYIYWLMAXPYRJL-CQSZACIVSA-N 2 2 330.436 1.650 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651382925 453523325 /nfs/dbraw/zinc/52/33/25/453523325.db2.gz AKDXKAQRYBKCSD-UHFFFAOYSA-N 2 2 342.443 1.762 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000665055803 453557969 /nfs/dbraw/zinc/55/79/69/453557969.db2.gz UHPBSMPGHPBXGZ-UHFFFAOYSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000665055803 453557973 /nfs/dbraw/zinc/55/79/73/453557973.db2.gz UHPBSMPGHPBXGZ-UHFFFAOYSA-N 3 2 339.528 1.186 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000667327696 453560125 /nfs/dbraw/zinc/56/01/25/453560125.db2.gz VQMVEQJTDAMFPP-MRXNPFEDSA-N 2 2 325.416 1.683 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000667327696 453560129 /nfs/dbraw/zinc/56/01/29/453560129.db2.gz VQMVEQJTDAMFPP-MRXNPFEDSA-N 2 2 325.416 1.683 20 0 EDADLP Cc1c(C[NH3+])c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)nn1C ZINC000662837315 453563869 /nfs/dbraw/zinc/56/38/69/453563869.db2.gz NYMLTJZHAASERI-UHFFFAOYSA-N 2 2 343.431 1.272 20 0 EDADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000659039553 453595124 /nfs/dbraw/zinc/59/51/24/453595124.db2.gz BHJWPRPAVDDSAN-HZPDHXFCSA-N 2 2 341.415 1.681 20 0 EDADLP [NH3+][C@H](CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)CC1CCCCC1 ZINC000662908403 453597498 /nfs/dbraw/zinc/59/74/98/453597498.db2.gz UHCPRHGSGVJLAB-MSOLQXFVSA-N 2 2 336.524 1.570 20 0 EDADLP [NH3+][C@H](CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)CC1CCCCC1 ZINC000662908403 453597500 /nfs/dbraw/zinc/59/75/00/453597500.db2.gz UHCPRHGSGVJLAB-MSOLQXFVSA-N 2 2 336.524 1.570 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000660855212 453611653 /nfs/dbraw/zinc/61/16/53/453611653.db2.gz LOIPTKZPTCMDMH-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000660855212 453611659 /nfs/dbraw/zinc/61/16/59/453611659.db2.gz LOIPTKZPTCMDMH-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660855212 453611664 /nfs/dbraw/zinc/61/16/64/453611664.db2.gz LOIPTKZPTCMDMH-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660855212 453611670 /nfs/dbraw/zinc/61/16/70/453611670.db2.gz LOIPTKZPTCMDMH-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP Cc1ccc(CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657090396 453673011 /nfs/dbraw/zinc/67/30/11/453673011.db2.gz DNDMBFNNJHAEEB-UHFFFAOYSA-N 2 2 327.494 1.298 20 0 EDADLP Cc1ccc(CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657090396 453673014 /nfs/dbraw/zinc/67/30/14/453673014.db2.gz DNDMBFNNJHAEEB-UHFFFAOYSA-N 2 2 327.494 1.298 20 0 EDADLP Cc1cc(C)c(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000657092592 453676084 /nfs/dbraw/zinc/67/60/84/453676084.db2.gz KGYUXQIZYFUIHW-UHFFFAOYSA-N 2 2 341.521 1.774 20 0 EDADLP Cc1cc(C)c(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000657092592 453676088 /nfs/dbraw/zinc/67/60/88/453676088.db2.gz KGYUXQIZYFUIHW-UHFFFAOYSA-N 2 2 341.521 1.774 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000665463078 453703002 /nfs/dbraw/zinc/70/30/02/453703002.db2.gz ZLUBYEBVIPMFDL-GOSISDBHSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000665463078 453703007 /nfs/dbraw/zinc/70/30/07/453703007.db2.gz ZLUBYEBVIPMFDL-GOSISDBHSA-N 2 2 331.460 1.822 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661150058 453735498 /nfs/dbraw/zinc/73/54/98/453735498.db2.gz RVAGRCBUMYWFTQ-OAHLLOKOSA-N 2 2 347.463 1.272 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665556530 453749131 /nfs/dbraw/zinc/74/91/31/453749131.db2.gz ZBFRXXQTGYEVJK-OAHLLOKOSA-N 2 2 348.495 1.120 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665556530 453749133 /nfs/dbraw/zinc/74/91/33/453749133.db2.gz ZBFRXXQTGYEVJK-OAHLLOKOSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@@]1(c2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2)NC(=O)NC1=O ZINC000657341175 453768703 /nfs/dbraw/zinc/76/87/03/453768703.db2.gz OCKVZFSNIJRXNH-SFHVURJKSA-N 2 2 339.399 1.174 20 0 EDADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2cn(C3CCC3)nn2)ccn1 ZINC000657420320 453783974 /nfs/dbraw/zinc/78/39/74/453783974.db2.gz DACOXWGUTSCVMA-UHFFFAOYSA-N 2 2 330.436 1.628 20 0 EDADLP COc1cc2[nH+]c(N[C@H]3CC[N@@H+](C4CC4)C3)nc(N)c2cc1OC ZINC000663428753 453795534 /nfs/dbraw/zinc/79/55/34/453795534.db2.gz RVYJGMBJTVSJAZ-JTQLQIEISA-N 2 2 329.404 1.878 20 0 EDADLP COc1cc2[nH+]c(N[C@H]3CC[N@H+](C4CC4)C3)nc(N)c2cc1OC ZINC000663428753 453795536 /nfs/dbraw/zinc/79/55/36/453795536.db2.gz RVYJGMBJTVSJAZ-JTQLQIEISA-N 2 2 329.404 1.878 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CC[NH+](C)CC1 ZINC000679994264 486691766 /nfs/dbraw/zinc/69/17/66/486691766.db2.gz QCHZCHIXTMWMEX-GOEBONIOSA-N 3 2 333.480 1.231 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000573240509 486737157 /nfs/dbraw/zinc/73/71/57/486737157.db2.gz ACEDBSICCAEWKM-DOTOQJQBSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC000573240509 486737162 /nfs/dbraw/zinc/73/71/62/486737162.db2.gz ACEDBSICCAEWKM-DOTOQJQBSA-N 2 2 343.475 1.786 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000680329084 486751343 /nfs/dbraw/zinc/75/13/43/486751343.db2.gz ODWPTXLZPHNNBA-ZWKOTPCHSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000680329084 486751347 /nfs/dbraw/zinc/75/13/47/486751347.db2.gz ODWPTXLZPHNNBA-ZWKOTPCHSA-N 2 2 328.416 1.956 20 0 EDADLP CC[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CC[C@H]1[NH3+] ZINC000667548620 486839203 /nfs/dbraw/zinc/83/92/03/486839203.db2.gz RATDUZSXWSCEEV-GXTWGEPZSA-N 2 2 343.431 1.406 20 0 EDADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1Cc1c[nH+]c(C)n1C ZINC000667624312 486885473 /nfs/dbraw/zinc/88/54/73/486885473.db2.gz STIVRCVTAPTUDJ-KRWDZBQOSA-N 2 2 338.415 1.358 20 0 EDADLP COc1cc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccn1 ZINC000667642389 486895289 /nfs/dbraw/zinc/89/52/89/486895289.db2.gz ZWPYQBUNYLCOME-UHFFFAOYSA-N 2 2 346.475 1.308 20 0 EDADLP c1cc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667670620 486906095 /nfs/dbraw/zinc/90/60/95/486906095.db2.gz VISKZMHMCVEAHH-INIZCTEOSA-N 2 2 327.432 1.421 20 0 EDADLP c1cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667670620 486906100 /nfs/dbraw/zinc/90/61/00/486906100.db2.gz VISKZMHMCVEAHH-INIZCTEOSA-N 2 2 327.432 1.421 20 0 EDADLP c1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667670620 486906102 /nfs/dbraw/zinc/90/61/02/486906102.db2.gz VISKZMHMCVEAHH-INIZCTEOSA-N 2 2 327.432 1.421 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684149895 486960365 /nfs/dbraw/zinc/96/03/65/486960365.db2.gz QUNREWLCUJFROZ-AWEZNQCLSA-N 2 2 343.431 1.509 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684149895 486960374 /nfs/dbraw/zinc/96/03/74/486960374.db2.gz QUNREWLCUJFROZ-AWEZNQCLSA-N 2 2 343.431 1.509 20 0 EDADLP COC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681217355 486976507 /nfs/dbraw/zinc/97/65/07/486976507.db2.gz DEWGJWPNRHDGTD-IAGOWNOFSA-N 2 2 340.512 1.467 20 0 EDADLP COC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681217355 486976510 /nfs/dbraw/zinc/97/65/10/486976510.db2.gz DEWGJWPNRHDGTD-IAGOWNOFSA-N 2 2 340.512 1.467 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000673444171 487001561 /nfs/dbraw/zinc/00/15/61/487001561.db2.gz DYJCNQREKNNKGQ-UHFFFAOYSA-N 2 2 344.419 1.447 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)[NH+]1CCCCCC1 ZINC000673470018 487010672 /nfs/dbraw/zinc/01/06/72/487010672.db2.gz UUKVNZYNDONZBU-HOTGVXAUSA-N 2 2 349.479 1.662 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+]1CCCCCC1 ZINC000673470018 487010675 /nfs/dbraw/zinc/01/06/75/487010675.db2.gz UUKVNZYNDONZBU-HOTGVXAUSA-N 2 2 349.479 1.662 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627950 487071104 /nfs/dbraw/zinc/07/11/04/487071104.db2.gz ZLZQFZAJDOAINO-HIFRSBDPSA-N 2 2 325.478 1.682 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000673627950 487071107 /nfs/dbraw/zinc/07/11/07/487071107.db2.gz ZLZQFZAJDOAINO-HIFRSBDPSA-N 2 2 325.478 1.682 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCCC[NH+]3CCCC3)[nH+]c12 ZINC000673769444 487109308 /nfs/dbraw/zinc/10/93/08/487109308.db2.gz VDUMEUBDNXEZCQ-UHFFFAOYSA-N 2 2 329.448 1.970 20 0 EDADLP CN(C)c1ccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)c[nH+]1 ZINC000673810841 487119764 /nfs/dbraw/zinc/11/97/64/487119764.db2.gz VBKVSBHMVPOPJE-UHFFFAOYSA-N 2 2 331.424 1.227 20 0 EDADLP CC(C)N1CC[NH+](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC000677712251 487156288 /nfs/dbraw/zinc/15/62/88/487156288.db2.gz ACBMDDMDQLRCLT-UHFFFAOYSA-N 2 2 347.507 1.680 20 0 EDADLP CC(C)[NH+]1CCN(C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC000677712251 487156293 /nfs/dbraw/zinc/15/62/93/487156293.db2.gz ACBMDDMDQLRCLT-UHFFFAOYSA-N 2 2 347.507 1.680 20 0 EDADLP C[C@@H]1CC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000678065674 487237940 /nfs/dbraw/zinc/23/79/40/487237940.db2.gz DCRRIOARPSESPR-KFWWJZLASA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H]1CC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000678065674 487237941 /nfs/dbraw/zinc/23/79/41/487237941.db2.gz DCRRIOARPSESPR-KFWWJZLASA-N 2 2 338.496 1.410 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000674373381 487247301 /nfs/dbraw/zinc/24/73/01/487247301.db2.gz BCNVSKKERBRHLN-UHFFFAOYSA-N 2 2 328.372 1.957 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000685590362 487299884 /nfs/dbraw/zinc/29/98/84/487299884.db2.gz MEWZYXUOBNKALY-UHFFFAOYSA-N 2 2 325.478 1.263 20 0 EDADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c2cc(F)ccc21 ZINC000685662166 487310518 /nfs/dbraw/zinc/31/05/18/487310518.db2.gz RKQPRGVUGRHPNR-AAEUAGOBSA-N 2 2 335.404 1.914 20 0 EDADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c2cc(F)ccc21 ZINC000685662166 487310521 /nfs/dbraw/zinc/31/05/21/487310521.db2.gz RKQPRGVUGRHPNR-AAEUAGOBSA-N 2 2 335.404 1.914 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000678514822 487324737 /nfs/dbraw/zinc/32/47/37/487324737.db2.gz LSKVGTBCVXRZSU-UYAOXDASSA-N 2 2 345.487 1.860 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000678514822 487324738 /nfs/dbraw/zinc/32/47/38/487324738.db2.gz LSKVGTBCVXRZSU-UYAOXDASSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H](Cc1cccs1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000678592035 487340194 /nfs/dbraw/zinc/34/01/94/487340194.db2.gz JVDVELPVUURMHY-GJZGRUSLSA-N 2 2 337.489 1.202 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@@H]1C ZINC000678679518 487351543 /nfs/dbraw/zinc/35/15/43/487351543.db2.gz UZBRJFLEQKBATJ-ZDUSSCGKSA-N 2 2 329.404 1.134 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@@H]1C ZINC000678679518 487351548 /nfs/dbraw/zinc/35/15/48/487351548.db2.gz UZBRJFLEQKBATJ-ZDUSSCGKSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)ccc2[nH+]1 ZINC000678674031 487349858 /nfs/dbraw/zinc/34/98/58/487349858.db2.gz ZTUQVEOYQJEYKL-OAHLLOKOSA-N 2 2 341.415 1.182 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)ccc2[nH+]1 ZINC000678674031 487349863 /nfs/dbraw/zinc/34/98/63/487349863.db2.gz ZTUQVEOYQJEYKL-OAHLLOKOSA-N 2 2 341.415 1.182 20 0 EDADLP COC1(C)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000678720928 487357100 /nfs/dbraw/zinc/35/71/00/487357100.db2.gz ZUFJKSKDNRIMDJ-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP COC1(C)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000678720928 487357103 /nfs/dbraw/zinc/35/71/03/487357103.db2.gz ZUFJKSKDNRIMDJ-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccn(C(F)F)n3)C2)CC1 ZINC000678841020 487370596 /nfs/dbraw/zinc/37/05/96/487370596.db2.gz LUCPVTDGDXENMV-LLVKDONJSA-N 2 2 327.379 1.177 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccn(C(F)F)n3)C2)CC1 ZINC000678841020 487370599 /nfs/dbraw/zinc/37/05/99/487370599.db2.gz LUCPVTDGDXENMV-LLVKDONJSA-N 2 2 327.379 1.177 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682514816 487379430 /nfs/dbraw/zinc/37/94/30/487379430.db2.gz ISJIJGJSXHSDSG-ZJIFWQFVSA-N 2 2 332.448 1.156 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682514812 487379651 /nfs/dbraw/zinc/37/96/51/487379651.db2.gz ISJIJGJSXHSDSG-JJXSEGSLSA-N 2 2 332.448 1.156 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000675963706 487462074 /nfs/dbraw/zinc/46/20/74/487462074.db2.gz SWNHCRKCUSNGNZ-KRWDZBQOSA-N 2 2 334.439 1.747 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000675963706 487462075 /nfs/dbraw/zinc/46/20/75/487462075.db2.gz SWNHCRKCUSNGNZ-KRWDZBQOSA-N 2 2 334.439 1.747 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@]4(CC[NH2+]C4)C3)[nH+]c12 ZINC000669512142 485476963 /nfs/dbraw/zinc/47/69/63/485476963.db2.gz YTJYPCMGVQZESM-SFHVURJKSA-N 2 2 327.432 1.580 20 0 EDADLP C[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000119059637 485495196 /nfs/dbraw/zinc/49/51/96/485495196.db2.gz PZNFTKISHLNLSU-DYVFJYSZSA-N 2 2 345.443 1.943 20 0 EDADLP C[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000119059637 485495204 /nfs/dbraw/zinc/49/52/04/485495204.db2.gz PZNFTKISHLNLSU-DYVFJYSZSA-N 2 2 345.443 1.943 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC(=O)N1C ZINC000669718230 485537445 /nfs/dbraw/zinc/53/74/45/485537445.db2.gz OCFHLWBBVSMJJY-MRXNPFEDSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC(=O)N1C ZINC000669718230 485537450 /nfs/dbraw/zinc/53/74/50/485537450.db2.gz OCFHLWBBVSMJJY-MRXNPFEDSA-N 2 2 331.460 1.824 20 0 EDADLP CCC[C@](C)(CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674760869 485890590 /nfs/dbraw/zinc/89/05/90/485890590.db2.gz OWRVQDMAWYTFTQ-RHSMWYFYSA-N 2 2 326.485 1.005 20 0 EDADLP CCC[C@](C)(CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674760869 485890596 /nfs/dbraw/zinc/89/05/96/485890596.db2.gz OWRVQDMAWYTFTQ-RHSMWYFYSA-N 2 2 326.485 1.005 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423574433 486012440 /nfs/dbraw/zinc/01/24/40/486012440.db2.gz ZVMNEOJLGIHFLB-HIFRSBDPSA-N 2 2 325.478 1.730 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000669366434 486013390 /nfs/dbraw/zinc/01/33/90/486013390.db2.gz RYNRKMZKDTXKGW-ZWKOTPCHSA-N 2 2 346.475 1.501 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000670712085 486060893 /nfs/dbraw/zinc/06/08/93/486060893.db2.gz QVBRPCBQRJJTCU-MRXNPFEDSA-N 2 2 346.475 1.230 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000670712085 486060899 /nfs/dbraw/zinc/06/08/99/486060899.db2.gz QVBRPCBQRJJTCU-MRXNPFEDSA-N 2 2 346.475 1.230 20 0 EDADLP CC[NH+](CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000670712085 486060906 /nfs/dbraw/zinc/06/09/06/486060906.db2.gz QVBRPCBQRJJTCU-MRXNPFEDSA-N 2 2 346.475 1.230 20 0 EDADLP CC[NH+](CCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000670712085 486060909 /nfs/dbraw/zinc/06/09/09/486060909.db2.gz QVBRPCBQRJJTCU-MRXNPFEDSA-N 2 2 346.475 1.230 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1F ZINC000669684420 486068496 /nfs/dbraw/zinc/06/84/96/486068496.db2.gz UYJXQCITOGCKIE-AWEZNQCLSA-N 2 2 346.406 1.849 20 0 EDADLP COc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc(OC)c1O ZINC000668785821 486195233 /nfs/dbraw/zinc/19/52/33/486195233.db2.gz YJVAOEODQLPHEZ-HNNXBMFYSA-N 2 2 338.448 1.952 20 0 EDADLP COc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc(OC)c1O ZINC000668785821 486195238 /nfs/dbraw/zinc/19/52/38/486195238.db2.gz YJVAOEODQLPHEZ-HNNXBMFYSA-N 2 2 338.448 1.952 20 0 EDADLP CN(C)c1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000671470860 486555261 /nfs/dbraw/zinc/55/52/61/486555261.db2.gz PXHWITAXWLAJII-XJKSGUPXSA-N 2 2 329.452 1.771 20 0 EDADLP CN(C)c1nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000671470860 486555264 /nfs/dbraw/zinc/55/52/64/486555264.db2.gz PXHWITAXWLAJII-XJKSGUPXSA-N 2 2 329.452 1.771 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@H]21 ZINC000305130225 491010006 /nfs/dbraw/zinc/01/00/06/491010006.db2.gz JOKGIBQXXHZZDP-RCCFBDPRSA-N 2 2 336.501 1.686 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@H]21 ZINC000305130225 491010008 /nfs/dbraw/zinc/01/00/08/491010008.db2.gz JOKGIBQXXHZZDP-RCCFBDPRSA-N 2 2 336.501 1.686 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000305130225 491010009 /nfs/dbraw/zinc/01/00/09/491010009.db2.gz JOKGIBQXXHZZDP-RCCFBDPRSA-N 2 2 336.501 1.686 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000305130225 491010011 /nfs/dbraw/zinc/01/00/11/491010011.db2.gz JOKGIBQXXHZZDP-RCCFBDPRSA-N 2 2 336.501 1.686 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181110851 527816765 /nfs/dbraw/zinc/81/67/65/527816765.db2.gz LCIXFPUWGJZAGG-HNNXBMFYSA-N 2 2 336.436 1.149 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181110851 527816772 /nfs/dbraw/zinc/81/67/72/527816772.db2.gz LCIXFPUWGJZAGG-HNNXBMFYSA-N 2 2 336.436 1.149 20 0 EDADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332290049 535005893 /nfs/dbraw/zinc/00/58/93/535005893.db2.gz JBMPSHDHXSIAON-KBPBESRZSA-N 2 2 337.468 1.254 20 0 EDADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332290049 535005899 /nfs/dbraw/zinc/00/58/99/535005899.db2.gz JBMPSHDHXSIAON-KBPBESRZSA-N 2 2 337.468 1.254 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1)[NH+]1CCOCC1 ZINC000056308855 535102031 /nfs/dbraw/zinc/10/20/31/535102031.db2.gz OHDOWNWWYFDNHG-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]1C1CCCC1)[NH+]1CCOCC1 ZINC000056308855 535102035 /nfs/dbraw/zinc/10/20/35/535102035.db2.gz OHDOWNWWYFDNHG-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000333781403 535354930 /nfs/dbraw/zinc/35/49/30/535354930.db2.gz KWIOVXCYTKMFMD-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000333781403 535354932 /nfs/dbraw/zinc/35/49/32/535354932.db2.gz KWIOVXCYTKMFMD-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000077249987 535458103 /nfs/dbraw/zinc/45/81/03/535458103.db2.gz CPPZPTXBMHUAAW-UHFFFAOYSA-N 2 2 337.439 1.737 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000077249987 535458108 /nfs/dbraw/zinc/45/81/08/535458108.db2.gz CPPZPTXBMHUAAW-UHFFFAOYSA-N 2 2 337.439 1.737 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246472051 535637050 /nfs/dbraw/zinc/63/70/50/535637050.db2.gz FZQURBOLBMSKJK-JENIJYKNSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246472051 535637053 /nfs/dbraw/zinc/63/70/53/535637053.db2.gz FZQURBOLBMSKJK-JENIJYKNSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246472051 535637060 /nfs/dbraw/zinc/63/70/60/535637060.db2.gz FZQURBOLBMSKJK-JENIJYKNSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246472051 535637062 /nfs/dbraw/zinc/63/70/62/535637062.db2.gz FZQURBOLBMSKJK-JENIJYKNSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246472051 535637069 /nfs/dbraw/zinc/63/70/69/535637069.db2.gz FZQURBOLBMSKJK-JENIJYKNSA-N 2 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246472051 535637073 /nfs/dbraw/zinc/63/70/73/535637073.db2.gz FZQURBOLBMSKJK-JENIJYKNSA-N 2 2 348.535 1.488 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000270186025 536369216 /nfs/dbraw/zinc/36/92/16/536369216.db2.gz AVPCDYVQSVSEBU-OAHLLOKOSA-N 2 2 344.463 1.041 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000270186025 536369219 /nfs/dbraw/zinc/36/92/19/536369219.db2.gz AVPCDYVQSVSEBU-OAHLLOKOSA-N 2 2 344.463 1.041 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000270186025 536369222 /nfs/dbraw/zinc/36/92/22/536369222.db2.gz AVPCDYVQSVSEBU-OAHLLOKOSA-N 2 2 344.463 1.041 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000270186025 536369224 /nfs/dbraw/zinc/36/92/24/536369224.db2.gz AVPCDYVQSVSEBU-OAHLLOKOSA-N 2 2 344.463 1.041 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)CC1 ZINC000093597797 536425570 /nfs/dbraw/zinc/42/55/70/536425570.db2.gz VYLHGOHSNFUICH-QGZVFWFLSA-N 3 2 344.507 1.146 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cn2)CC1 ZINC000093597797 536425574 /nfs/dbraw/zinc/42/55/74/536425574.db2.gz VYLHGOHSNFUICH-QGZVFWFLSA-N 3 2 344.507 1.146 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000332851135 536471451 /nfs/dbraw/zinc/47/14/51/536471451.db2.gz WFDDDCDTTKTBJJ-HRCADAONSA-N 2 2 331.464 1.886 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000332851135 536471454 /nfs/dbraw/zinc/47/14/54/536471454.db2.gz WFDDDCDTTKTBJJ-HRCADAONSA-N 2 2 331.464 1.886 20 0 EDADLP COCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093664109 536708818 /nfs/dbraw/zinc/70/88/18/536708818.db2.gz SKFYMDDWQOCCMN-SFHVURJKSA-N 2 2 334.460 1.866 20 0 EDADLP COCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093664109 536708825 /nfs/dbraw/zinc/70/88/25/536708825.db2.gz SKFYMDDWQOCCMN-SFHVURJKSA-N 2 2 334.460 1.866 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000062018998 536787413 /nfs/dbraw/zinc/78/74/13/536787413.db2.gz JRHGZGCEVNVFAP-UHFFFAOYSA-N 2 2 349.479 1.318 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000062018998 536787417 /nfs/dbraw/zinc/78/74/17/536787417.db2.gz JRHGZGCEVNVFAP-UHFFFAOYSA-N 2 2 349.479 1.318 20 0 EDADLP CC(C)OCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000740881106 579387962 /nfs/dbraw/zinc/38/79/62/579387962.db2.gz LBWOUYCQBJAXPO-UHFFFAOYSA-N 2 2 337.464 1.671 20 0 EDADLP CC(C)OCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000740881106 579387963 /nfs/dbraw/zinc/38/79/63/579387963.db2.gz LBWOUYCQBJAXPO-UHFFFAOYSA-N 2 2 337.464 1.671 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000725895690 578301018 /nfs/dbraw/zinc/30/10/18/578301018.db2.gz IQZPTFISELESOY-ROUUACIJSA-N 2 2 340.427 1.524 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000725895690 578301020 /nfs/dbraw/zinc/30/10/20/578301020.db2.gz IQZPTFISELESOY-ROUUACIJSA-N 2 2 340.427 1.524 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000726257642 578339859 /nfs/dbraw/zinc/33/98/59/578339859.db2.gz ACEPHHKDXBGCRN-ZDUSSCGKSA-N 2 2 326.485 1.316 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C)Cc2ccccc2)CCO1 ZINC000726257308 578339508 /nfs/dbraw/zinc/33/95/08/578339508.db2.gz OGDNGVRYUWPROP-MRXNPFEDSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)Cc2ccccc2)CCO1 ZINC000726257308 578339509 /nfs/dbraw/zinc/33/95/09/578339509.db2.gz OGDNGVRYUWPROP-MRXNPFEDSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000726257308 578339511 /nfs/dbraw/zinc/33/95/11/578339511.db2.gz OGDNGVRYUWPROP-MRXNPFEDSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000726257308 578339512 /nfs/dbraw/zinc/33/95/12/578339512.db2.gz OGDNGVRYUWPROP-MRXNPFEDSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000726257642 578339858 /nfs/dbraw/zinc/33/98/58/578339858.db2.gz ACEPHHKDXBGCRN-ZDUSSCGKSA-N 2 2 326.485 1.316 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)CCCC[NH+]2CCOCC2)c1C ZINC000727756900 578538496 /nfs/dbraw/zinc/53/84/96/578538496.db2.gz JHDPRAKMEWROIN-UHFFFAOYSA-N 2 2 335.448 1.826 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000729617798 578584803 /nfs/dbraw/zinc/58/48/03/578584803.db2.gz HCBUMIICCQAAAM-RRFJBIMHSA-N 2 2 333.436 1.162 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000729617798 578584804 /nfs/dbraw/zinc/58/48/04/578584804.db2.gz HCBUMIICCQAAAM-RRFJBIMHSA-N 2 2 333.436 1.162 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731679314 578678560 /nfs/dbraw/zinc/67/85/60/578678560.db2.gz ZUGLDXOTYPHICI-UHFFFAOYSA-N 2 2 331.460 1.654 20 0 EDADLP Cc1nc(CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000733164426 578745454 /nfs/dbraw/zinc/74/54/54/578745454.db2.gz SKZPZHFAYLIZGF-UHFFFAOYSA-N 2 2 338.521 1.869 20 0 EDADLP Cc1nc(CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000733164426 578745455 /nfs/dbraw/zinc/74/54/55/578745455.db2.gz SKZPZHFAYLIZGF-UHFFFAOYSA-N 2 2 338.521 1.869 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735291910 578874433 /nfs/dbraw/zinc/87/44/33/578874433.db2.gz ZWKZQEBKCOXSKP-SJLPKXTDSA-N 2 2 333.476 1.595 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735291910 578874434 /nfs/dbraw/zinc/87/44/34/578874434.db2.gz ZWKZQEBKCOXSKP-SJLPKXTDSA-N 2 2 333.476 1.595 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736571877 579001332 /nfs/dbraw/zinc/00/13/32/579001332.db2.gz SLJIDRKJGRFCQV-LBPRGKRZSA-N 2 2 343.435 1.268 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CCn2cc[nH+]c2C1 ZINC000739023292 579194421 /nfs/dbraw/zinc/19/44/21/579194421.db2.gz LYYKXCWHWIUTMG-OAHLLOKOSA-N 2 2 333.436 1.052 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000744997370 579533539 /nfs/dbraw/zinc/53/35/39/579533539.db2.gz UIMKNZJBDGRZGE-UHFFFAOYSA-N 2 2 344.415 1.480 20 0 EDADLP CC(COC(=O)[C@@H]1CCCC[NH+]1C)COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745079699 579536643 /nfs/dbraw/zinc/53/66/43/579536643.db2.gz MTFRLMLHFKTIGY-HOTGVXAUSA-N 2 2 340.464 1.678 20 0 EDADLP CC(COC(=O)[C@@H]1CCCC[NH+]1C)COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745079699 579536644 /nfs/dbraw/zinc/53/66/44/579536644.db2.gz MTFRLMLHFKTIGY-HOTGVXAUSA-N 2 2 340.464 1.678 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000745790683 579562621 /nfs/dbraw/zinc/56/26/21/579562621.db2.gz CETFUCJMOMLPEY-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000745790683 579562622 /nfs/dbraw/zinc/56/26/22/579562622.db2.gz CETFUCJMOMLPEY-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000745790683 579562623 /nfs/dbraw/zinc/56/26/23/579562623.db2.gz CETFUCJMOMLPEY-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000745790683 579562624 /nfs/dbraw/zinc/56/26/24/579562624.db2.gz CETFUCJMOMLPEY-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCCCC[C@H](O)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746255022 579582378 /nfs/dbraw/zinc/58/23/78/579582378.db2.gz WEOQRSMZPBJFRM-WBVHZDCISA-N 2 2 325.497 1.602 20 0 EDADLP CCCCC[C@H](O)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746255022 579582379 /nfs/dbraw/zinc/58/23/79/579582379.db2.gz WEOQRSMZPBJFRM-WBVHZDCISA-N 2 2 325.497 1.602 20 0 EDADLP C[NH+]1CCN(c2cccc(C(=O)N3CCC[C@@H]3c3[nH]cc[nH+]3)n2)CC1 ZINC000777455816 580441966 /nfs/dbraw/zinc/44/19/66/580441966.db2.gz UZCFWRRMXRBXJO-OAHLLOKOSA-N 2 2 340.431 1.534 20 0 EDADLP CNC(=O)CCOC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000752336142 579846076 /nfs/dbraw/zinc/84/60/76/579846076.db2.gz IRMNUWGTXBTXRL-UHFFFAOYSA-N 2 2 343.431 1.384 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753677887 579884866 /nfs/dbraw/zinc/88/48/66/579884866.db2.gz WXUDNPGQDUSZAU-LSDHHAIUSA-N 2 2 333.505 1.609 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753677887 579884867 /nfs/dbraw/zinc/88/48/67/579884867.db2.gz WXUDNPGQDUSZAU-LSDHHAIUSA-N 2 2 333.505 1.609 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754285057 579900366 /nfs/dbraw/zinc/90/03/66/579900366.db2.gz KTIZTCBQOWKRNV-CQSZACIVSA-N 2 2 338.521 1.886 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754285057 579900367 /nfs/dbraw/zinc/90/03/67/579900367.db2.gz KTIZTCBQOWKRNV-CQSZACIVSA-N 2 2 338.521 1.886 20 0 EDADLP O=c1n(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc2n1CCCC2 ZINC000758350503 579980538 /nfs/dbraw/zinc/98/05/38/579980538.db2.gz NQGAHPYJLWVPQK-UHFFFAOYSA-N 2 2 347.507 1.927 20 0 EDADLP O[C@H](CN1CCc2c([nH+]cn2-c2ccccc2)C1)C[NH+]1CCCC1 ZINC000778230087 580459315 /nfs/dbraw/zinc/45/93/15/580459315.db2.gz BTPNVXHYXKCWAN-KRWDZBQOSA-N 2 2 326.444 1.687 20 0 EDADLP CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000763341872 580098137 /nfs/dbraw/zinc/09/81/37/580098137.db2.gz VIRVBKBJWHJEST-KSZLIROESA-N 2 2 336.524 1.550 20 0 EDADLP CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000763341872 580098138 /nfs/dbraw/zinc/09/81/38/580098138.db2.gz VIRVBKBJWHJEST-KSZLIROESA-N 2 2 336.524 1.550 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000764701679 580126766 /nfs/dbraw/zinc/12/67/66/580126766.db2.gz KXJGQRFYWJZFNP-MRXNPFEDSA-N 2 2 328.501 1.471 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000764701679 580126767 /nfs/dbraw/zinc/12/67/67/580126767.db2.gz KXJGQRFYWJZFNP-MRXNPFEDSA-N 2 2 328.501 1.471 20 0 EDADLP c1ccc(C[NH+]2CCC([NH2+]CCCNc3ncccn3)CC2)nc1 ZINC000766519714 580168938 /nfs/dbraw/zinc/16/89/38/580168938.db2.gz XGJYCNRKIGBACE-UHFFFAOYSA-N 2 2 326.448 1.928 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767183839 580183347 /nfs/dbraw/zinc/18/33/47/580183347.db2.gz LORHUOAELBROIL-OAHLLOKOSA-N 2 2 328.416 1.457 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767555030 580192803 /nfs/dbraw/zinc/19/28/03/580192803.db2.gz IMTJROPUPFQALD-IXDOHACOSA-N 2 2 340.464 1.186 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767555030 580192804 /nfs/dbraw/zinc/19/28/04/580192804.db2.gz IMTJROPUPFQALD-IXDOHACOSA-N 2 2 340.464 1.186 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc2[nH+]ccn21 ZINC000770428303 580260173 /nfs/dbraw/zinc/26/01/73/580260173.db2.gz WOTIYZQFJFYDFG-CQSZACIVSA-N 2 2 328.416 1.565 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccn1 ZINC000781428729 580549430 /nfs/dbraw/zinc/54/94/30/580549430.db2.gz VVSRYOBXXCDFEZ-UHFFFAOYSA-N 2 2 325.372 1.922 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)C1 ZINC000783988029 580610365 /nfs/dbraw/zinc/61/03/65/580610365.db2.gz FEUCCPXGBXOAFA-CRAIPNDOSA-N 2 2 332.448 1.586 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@]3(CCCOC3)C2)C1 ZINC000783988029 580610366 /nfs/dbraw/zinc/61/03/66/580610366.db2.gz FEUCCPXGBXOAFA-CRAIPNDOSA-N 2 2 332.448 1.586 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000788894221 580731885 /nfs/dbraw/zinc/73/18/85/580731885.db2.gz ODATZBHEKCRAKK-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP [NH2+]=C(NOCc1ncccn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000790511001 580772061 /nfs/dbraw/zinc/77/20/61/580772061.db2.gz SLQXPECPGLMNHK-HNNXBMFYSA-N 2 2 327.388 1.376 20 0 EDADLP [NH2+]=C(NOCc1ncccn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000790511001 580772062 /nfs/dbraw/zinc/77/20/62/580772062.db2.gz SLQXPECPGLMNHK-HNNXBMFYSA-N 2 2 327.388 1.376 20 0 EDADLP O=C1C[C@H](C(F)F)CN1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000795404347 580921269 /nfs/dbraw/zinc/92/12/69/580921269.db2.gz FKGBGNZQYDOLOD-AWEZNQCLSA-N 2 2 331.407 1.102 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)s1 ZINC000796342453 580951444 /nfs/dbraw/zinc/95/14/44/580951444.db2.gz QGASYGSNQYEUDD-GFCCVEGCSA-N 2 2 327.450 1.216 20 0 EDADLP C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@@H](O)C[NH+]1CCCC1 ZINC000796387677 580952828 /nfs/dbraw/zinc/95/28/28/580952828.db2.gz FKBOTPFSSLLRMQ-MRXNPFEDSA-N 2 2 330.432 1.668 20 0 EDADLP C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@@H](O)C[NH+]1CCCC1 ZINC000796387677 580952829 /nfs/dbraw/zinc/95/28/29/580952829.db2.gz FKBOTPFSSLLRMQ-MRXNPFEDSA-N 2 2 330.432 1.668 20 0 EDADLP CN(CCC[NH+]1CCCC1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000799174913 581021264 /nfs/dbraw/zinc/02/12/64/581021264.db2.gz TXKLCZXQTXVSQS-UHFFFAOYSA-N 2 2 348.491 1.342 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)[C@H]2C1 ZINC000891832640 590641730 /nfs/dbraw/zinc/64/17/30/590641730.db2.gz AXUZZSJLAPUHKR-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)[C@H]2C1 ZINC000891832640 590641734 /nfs/dbraw/zinc/64/17/34/590641734.db2.gz AXUZZSJLAPUHKR-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)[C@@H]2C1 ZINC000891832635 590642399 /nfs/dbraw/zinc/64/23/99/590642399.db2.gz AXUZZSJLAPUHKR-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)[C@@H]2C1 ZINC000891832635 590642401 /nfs/dbraw/zinc/64/24/01/590642401.db2.gz AXUZZSJLAPUHKR-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000891928216 590692709 /nfs/dbraw/zinc/69/27/09/590692709.db2.gz WKZXXALMRLSBDH-CVEARBPZSA-N 2 2 341.415 1.693 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3c4c(nn3C)CCOC4)CC2)c1 ZINC000891930734 590693477 /nfs/dbraw/zinc/69/34/77/590693477.db2.gz ZSTKTKQQPUBJJH-UHFFFAOYSA-N 2 2 343.431 1.219 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC1CC[NH2+]CC1 ZINC000891958259 590708069 /nfs/dbraw/zinc/70/80/69/590708069.db2.gz CTZYAMVLJJFVAS-UHFFFAOYSA-N 2 2 335.477 1.186 20 0 EDADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000892048003 590771584 /nfs/dbraw/zinc/77/15/84/590771584.db2.gz GFWPYJABJXHKRA-QGZVFWFLSA-N 2 2 334.439 1.823 20 0 EDADLP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893506019 590913547 /nfs/dbraw/zinc/91/35/47/590913547.db2.gz RKPAARUDHAFXCF-KGLIPLIRSA-N 2 2 329.485 1.725 20 0 EDADLP Cc1nnc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000892421660 591021608 /nfs/dbraw/zinc/02/16/08/591021608.db2.gz MCXHWMACAXQVFI-ZDUSSCGKSA-N 2 2 337.518 1.986 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCC[NH+]3Cc4ccccc4C3)C[C@]2(C)C1 ZINC000892438032 591028100 /nfs/dbraw/zinc/02/81/00/591028100.db2.gz CPXQCKAJSYGOBB-MJGOQNOKSA-N 2 2 328.460 1.595 20 0 EDADLP C[N@H+]1C[C@@H]2CN(C(=O)NCC[NH+]3Cc4ccccc4C3)C[C@]2(C)C1 ZINC000892438032 591028105 /nfs/dbraw/zinc/02/81/05/591028105.db2.gz CPXQCKAJSYGOBB-MJGOQNOKSA-N 2 2 328.460 1.595 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893697854 591051099 /nfs/dbraw/zinc/05/10/99/591051099.db2.gz WYDOLUUFYYWJAQ-HOTGVXAUSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893697854 591051104 /nfs/dbraw/zinc/05/11/04/591051104.db2.gz WYDOLUUFYYWJAQ-HOTGVXAUSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891344843 591051993 /nfs/dbraw/zinc/05/19/93/591051993.db2.gz OOCMKKJNPAKZGH-CABCVRRESA-N 2 2 326.404 1.303 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892513801 591054390 /nfs/dbraw/zinc/05/43/90/591054390.db2.gz KZAVLBKNVWUMSU-OCCSQVGLSA-N 2 2 335.477 1.266 20 0 EDADLP [NH3+]C[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892513747 591054453 /nfs/dbraw/zinc/05/44/53/591054453.db2.gz JQKKUGLOMHJEPP-CQSZACIVSA-N 2 2 335.477 1.268 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000891517338 591103223 /nfs/dbraw/zinc/10/32/23/591103223.db2.gz KSPFBGMJKNLQBW-LZLYRXPVSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)[nH+]c12 ZINC000891626031 591156177 /nfs/dbraw/zinc/15/61/77/591156177.db2.gz BEKRSOJJFASULW-CVEARBPZSA-N 2 2 327.432 1.721 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891704647 591192946 /nfs/dbraw/zinc/19/29/46/591192946.db2.gz HCEGXFIOJKMAEV-HNNXBMFYSA-N 2 2 332.448 1.097 20 0 EDADLP Cc1cc(N2CCN(C(=O)NCCC(C)(C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000892861296 591206388 /nfs/dbraw/zinc/20/63/88/591206388.db2.gz SACOYTRZFHRLJP-UHFFFAOYSA-N 2 2 348.495 1.867 20 0 EDADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCC(c3c[nH+]c[nH]3)CC1)C2 ZINC000892881106 591213228 /nfs/dbraw/zinc/21/32/28/591213228.db2.gz OOORATIGGCSNKN-UHFFFAOYSA-N 2 2 346.460 1.683 20 0 EDADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCC(c3c[nH]c[nH+]3)CC1)C2 ZINC000892881106 591213230 /nfs/dbraw/zinc/21/32/30/591213230.db2.gz OOORATIGGCSNKN-UHFFFAOYSA-N 2 2 346.460 1.683 20 0 EDADLP CNC(=O)C[NH+]1CCC(Nc2ccc3ccc(OC)cc3[nH+]2)CC1 ZINC000891767815 591217990 /nfs/dbraw/zinc/21/79/90/591217990.db2.gz MJKLBYMOPRBKJW-UHFFFAOYSA-N 2 2 328.416 1.866 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCc2ccccc21 ZINC000894231019 591238211 /nfs/dbraw/zinc/23/82/11/591238211.db2.gz JSHZQOFMHVSKLQ-GOSISDBHSA-N 2 2 345.487 1.439 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCc2ccccc21 ZINC000894231019 591238215 /nfs/dbraw/zinc/23/82/15/591238215.db2.gz JSHZQOFMHVSKLQ-GOSISDBHSA-N 2 2 345.487 1.439 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000895646086 591241084 /nfs/dbraw/zinc/24/10/84/591241084.db2.gz HAGMKKCSIFWIPB-HNNXBMFYSA-N 2 2 332.448 1.407 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000895646086 591241086 /nfs/dbraw/zinc/24/10/86/591241086.db2.gz HAGMKKCSIFWIPB-HNNXBMFYSA-N 2 2 332.448 1.407 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3c[nH]cn3)c2)C1 ZINC000894252972 591248826 /nfs/dbraw/zinc/24/88/26/591248826.db2.gz UHNVZDFYFQKDLW-INIZCTEOSA-N 2 2 327.432 1.397 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3c[nH]cn3)c2)C1 ZINC000894252972 591248829 /nfs/dbraw/zinc/24/88/29/591248829.db2.gz UHNVZDFYFQKDLW-INIZCTEOSA-N 2 2 327.432 1.397 20 0 EDADLP CC[C@H](C)[C@@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)OC ZINC000895687098 591249339 /nfs/dbraw/zinc/24/93/39/591249339.db2.gz ZSNZNIPAQQSMRI-OKZBNKHCSA-N 2 2 327.513 1.434 20 0 EDADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000895859696 591289450 /nfs/dbraw/zinc/28/94/50/591289450.db2.gz VZRMREQCYFIJNV-INIZCTEOSA-N 2 2 349.500 1.156 20 0 EDADLP CS(=O)(=O)C1CC([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000896019202 591324552 /nfs/dbraw/zinc/32/45/52/591324552.db2.gz NDHAZWUTGJLHAQ-NXYGQSRBSA-N 2 2 349.500 1.959 20 0 EDADLP CS(=O)(=O)C1CC([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000896019202 591324555 /nfs/dbraw/zinc/32/45/55/591324555.db2.gz NDHAZWUTGJLHAQ-NXYGQSRBSA-N 2 2 349.500 1.959 20 0 EDADLP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894552254 591344023 /nfs/dbraw/zinc/34/40/23/591344023.db2.gz FENLZPAPPXXDLL-ZIAGYGMSSA-N 2 2 329.485 1.989 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896301160 591413142 /nfs/dbraw/zinc/41/31/42/591413142.db2.gz WKILZDRWOKCKGK-APWZRJJASA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896301160 591413143 /nfs/dbraw/zinc/41/31/43/591413143.db2.gz WKILZDRWOKCKGK-APWZRJJASA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896301161 591413164 /nfs/dbraw/zinc/41/31/64/591413164.db2.gz WKILZDRWOKCKGK-VQIMIIECSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896301161 591413165 /nfs/dbraw/zinc/41/31/65/591413165.db2.gz WKILZDRWOKCKGK-VQIMIIECSA-N 2 2 343.471 1.440 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898585448 591423592 /nfs/dbraw/zinc/42/35/92/591423592.db2.gz YHKUBFHGIACBQI-INIZCTEOSA-N 2 2 330.432 1.019 20 0 EDADLP CN(C(=O)NCc1cn(C)c[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898626962 591449265 /nfs/dbraw/zinc/44/92/65/591449265.db2.gz IIMVQSXRCNXQBI-QGZVFWFLSA-N 2 2 327.432 1.836 20 0 EDADLP CN(C(=O)NCc1cn(C)c[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898626962 591449268 /nfs/dbraw/zinc/44/92/68/591449268.db2.gz IIMVQSXRCNXQBI-QGZVFWFLSA-N 2 2 327.432 1.836 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[NH+]1CCC1)c1ccc(F)cc1F ZINC000898735028 591488503 /nfs/dbraw/zinc/48/85/03/591488503.db2.gz XGUGRAJGRAIHRX-OAHLLOKOSA-N 2 2 349.385 1.793 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[N@H+]3CCC[C@@H]3C)CC2)cc[nH+]1 ZINC000897495214 591497095 /nfs/dbraw/zinc/49/70/95/591497095.db2.gz UAWMIQOOVFIDQL-AWEZNQCLSA-N 2 2 332.452 1.101 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[N@@H+]3CCC[C@@H]3C)CC2)cc[nH+]1 ZINC000897495214 591497099 /nfs/dbraw/zinc/49/70/99/591497099.db2.gz UAWMIQOOVFIDQL-AWEZNQCLSA-N 2 2 332.452 1.101 20 0 EDADLP CSC1(C[NH+]2CCN(c3nc(N)[nH+]c(C4CC4)n3)CC2)CCC1 ZINC000897573020 591561618 /nfs/dbraw/zinc/56/16/18/591561618.db2.gz BDMCHECOQGQWJI-UHFFFAOYSA-N 2 2 334.493 1.739 20 0 EDADLP CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895078193 591570332 /nfs/dbraw/zinc/57/03/32/591570332.db2.gz FCADNSYCBFOOME-CHWSQXEVSA-N 2 2 344.358 1.573 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C[C@H](C)O1 ZINC000897600785 591577966 /nfs/dbraw/zinc/57/79/66/591577966.db2.gz SPTFGVYRPZLULI-JKIFEVAISA-N 2 2 349.479 1.358 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C[C@H](C)O1 ZINC000897600785 591577968 /nfs/dbraw/zinc/57/79/68/591577968.db2.gz SPTFGVYRPZLULI-JKIFEVAISA-N 2 2 349.479 1.358 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H](C)O1 ZINC000897600785 591577971 /nfs/dbraw/zinc/57/79/71/591577971.db2.gz SPTFGVYRPZLULI-JKIFEVAISA-N 2 2 349.479 1.358 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H](C)O1 ZINC000897600785 591577974 /nfs/dbraw/zinc/57/79/74/591577974.db2.gz SPTFGVYRPZLULI-JKIFEVAISA-N 2 2 349.479 1.358 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000898882677 591584731 /nfs/dbraw/zinc/58/47/31/591584731.db2.gz AEVNGUZHNDBWOZ-INIZCTEOSA-N 2 2 328.416 1.479 20 0 EDADLP COCC[C@H](C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)NC(=O)OC(C)(C)C ZINC000897620059 591592264 /nfs/dbraw/zinc/59/22/64/591592264.db2.gz FQCZUWIXWPJAGO-HDMKZQKVSA-N 2 2 341.496 1.800 20 0 EDADLP COCC[C@H](C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1)NC(=O)OC(C)(C)C ZINC000897620059 591592265 /nfs/dbraw/zinc/59/22/65/591592265.db2.gz FQCZUWIXWPJAGO-HDMKZQKVSA-N 2 2 341.496 1.800 20 0 EDADLP COCC[C@H](C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)NC(=O)OC(C)(C)C ZINC000897620059 591592267 /nfs/dbraw/zinc/59/22/67/591592267.db2.gz FQCZUWIXWPJAGO-HDMKZQKVSA-N 2 2 341.496 1.800 20 0 EDADLP COCC[C@H](C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)NC(=O)OC(C)(C)C ZINC000897620059 591592269 /nfs/dbraw/zinc/59/22/69/591592269.db2.gz FQCZUWIXWPJAGO-HDMKZQKVSA-N 2 2 341.496 1.800 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000896796839 591614529 /nfs/dbraw/zinc/61/45/29/591614529.db2.gz IUNUTYMWWLCNBT-CQSZACIVSA-N 2 2 336.436 1.022 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000897078270 591734705 /nfs/dbraw/zinc/73/47/05/591734705.db2.gz ULFQXSHDSSWFDA-OLMNPRSZSA-N 2 2 349.475 1.570 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000897078270 591734708 /nfs/dbraw/zinc/73/47/08/591734708.db2.gz ULFQXSHDSSWFDA-OLMNPRSZSA-N 2 2 349.475 1.570 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@H]3C[C@@H]4COC[C@@H]4O3)c12 ZINC000899262683 591753768 /nfs/dbraw/zinc/75/37/68/591753768.db2.gz WEBWZALSCCPQQE-KYOSRNDESA-N 2 2 338.371 1.426 20 0 EDADLP C/C(=C\C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000899942998 591831929 /nfs/dbraw/zinc/83/19/29/591831929.db2.gz VLRYTSNOOMNBPV-QCUIPMNBSA-N 2 2 331.460 1.684 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cn3cc(OC)c(=O)cc3C)CC2)c1 ZINC000902123571 591923179 /nfs/dbraw/zinc/92/31/79/591923179.db2.gz YFLAEFFWWXVSLB-UHFFFAOYSA-N 2 2 344.415 1.349 20 0 EDADLP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1=O ZINC000902195658 591942550 /nfs/dbraw/zinc/94/25/50/591942550.db2.gz MYLVLWHFBANHEB-DYVFJYSZSA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1=O ZINC000902195658 591942552 /nfs/dbraw/zinc/94/25/52/591942552.db2.gz MYLVLWHFBANHEB-DYVFJYSZSA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000902195658 591942554 /nfs/dbraw/zinc/94/25/54/591942554.db2.gz MYLVLWHFBANHEB-DYVFJYSZSA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000902195658 591942556 /nfs/dbraw/zinc/94/25/56/591942556.db2.gz MYLVLWHFBANHEB-DYVFJYSZSA-N 2 2 347.459 1.325 20 0 EDADLP CC[C@@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000900208619 591943549 /nfs/dbraw/zinc/94/35/49/591943549.db2.gz IAJGNOWWUAIAEC-DZKIICNBSA-N 2 2 334.464 1.652 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000899808196 591945394 /nfs/dbraw/zinc/94/53/94/591945394.db2.gz BXUAWTKQRUWNPR-INIZCTEOSA-N 2 2 344.459 1.374 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000899811592 591947610 /nfs/dbraw/zinc/94/76/10/591947610.db2.gz WNGCDIGMIATHHA-LSDHHAIUSA-N 2 2 325.416 1.578 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC(N4CCCC4=O)C3)c2cc1C ZINC000899909371 591975405 /nfs/dbraw/zinc/97/54/05/591975405.db2.gz AXKVXEGJTGTUFD-INIZCTEOSA-N 2 2 342.443 1.321 20 0 EDADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc(S(N)(=O)=O)c1 ZINC000902439381 591996199 /nfs/dbraw/zinc/99/61/99/591996199.db2.gz RHIFCPLHDCYKRI-SSKCKEOISA-N 2 2 331.441 1.609 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902464913 592000306 /nfs/dbraw/zinc/00/03/06/592000306.db2.gz FLMRMFDLMSLMOR-BJKJVOPESA-N 2 2 331.416 1.673 20 0 EDADLP O=c1[nH]ncc(N2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C34CCCC4)C2)c1Cl ZINC000902518118 592009536 /nfs/dbraw/zinc/00/95/36/592009536.db2.gz KTEJVJPQSFFTAF-DGCLKSJQSA-N 2 2 337.855 1.679 20 0 EDADLP C/C(=C/C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000900410784 592010466 /nfs/dbraw/zinc/01/04/66/592010466.db2.gz ZPXYUNCDWNKFHA-GDNBJRDFSA-N 2 2 341.415 1.162 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000900446590 592020327 /nfs/dbraw/zinc/02/03/27/592020327.db2.gz PHZIRMWSFPRXJL-OALUTQOASA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000900446590 592020330 /nfs/dbraw/zinc/02/03/30/592020330.db2.gz PHZIRMWSFPRXJL-OALUTQOASA-N 3 2 348.535 1.678 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000900645499 592087510 /nfs/dbraw/zinc/08/75/10/592087510.db2.gz PBGZDZWFDTVNHZ-UHFFFAOYSA-N 2 2 345.491 1.531 20 0 EDADLP C[C@H](c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCN(c2nncn2C)CC1 ZINC000903043129 592106060 /nfs/dbraw/zinc/10/60/60/592106060.db2.gz PSXGTORNZJQBBQ-OAHLLOKOSA-N 2 2 337.431 1.884 20 0 EDADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CC[N@H+](C)CCOCCO ZINC000903089964 592118368 /nfs/dbraw/zinc/11/83/68/592118368.db2.gz XTFYVFHXXQEJKJ-KXBFYZLASA-N 2 2 336.476 1.849 20 0 EDADLP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CC[N@@H+](C)CCOCCO ZINC000903089964 592118369 /nfs/dbraw/zinc/11/83/69/592118369.db2.gz XTFYVFHXXQEJKJ-KXBFYZLASA-N 2 2 336.476 1.849 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000903431575 592168198 /nfs/dbraw/zinc/16/81/98/592168198.db2.gz QGPJCVYOOKPAFQ-ZBFHGGJFSA-N 2 2 335.879 1.882 20 0 EDADLP Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903439549 592170082 /nfs/dbraw/zinc/17/00/82/592170082.db2.gz KEXGJJAGSGKCOZ-SQNIBIBYSA-N 2 2 345.487 1.762 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H]2C[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CCO2)cc1 ZINC000903464435 592171135 /nfs/dbraw/zinc/17/11/35/592171135.db2.gz NKQHHKUJLCPFJQ-KMFMINBZSA-N 2 2 338.473 1.591 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H]2C[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CCO2)cc1 ZINC000903464435 592171136 /nfs/dbraw/zinc/17/11/36/592171136.db2.gz NKQHHKUJLCPFJQ-KMFMINBZSA-N 2 2 338.473 1.591 20 0 EDADLP COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000904331978 592232277 /nfs/dbraw/zinc/23/22/77/592232277.db2.gz OUFOWOQEGBGRDB-HNNXBMFYSA-N 2 2 329.404 1.539 20 0 EDADLP CCn1ccnc(N2CCC([NH2+]C[C@H]([NH3+])CCC(C)(C)C)CC2)c1=O ZINC000904368103 592239283 /nfs/dbraw/zinc/23/92/83/592239283.db2.gz HYXGAQXEZOQFFF-OAHLLOKOSA-N 2 2 349.523 1.975 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000904407143 592250490 /nfs/dbraw/zinc/25/04/90/592250490.db2.gz OBHINRUFSKUBIT-HXUWFJFHSA-N 3 2 346.519 1.504 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000904407143 592250495 /nfs/dbraw/zinc/25/04/95/592250495.db2.gz OBHINRUFSKUBIT-HXUWFJFHSA-N 3 2 346.519 1.504 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)ccc2n1C1CC1 ZINC000908057903 592277922 /nfs/dbraw/zinc/27/79/22/592277922.db2.gz AHRGMBZJRQBOAM-KXBFYZLASA-N 2 2 342.443 1.751 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)ccc2n1C1CC1 ZINC000908057903 592277925 /nfs/dbraw/zinc/27/79/25/592277925.db2.gz AHRGMBZJRQBOAM-KXBFYZLASA-N 2 2 342.443 1.751 20 0 EDADLP CCOC(=O)[C@H](CCc1ccccc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000903717037 592279507 /nfs/dbraw/zinc/27/95/07/592279507.db2.gz XRFUUPKQGSQNBO-SFHVURJKSA-N 2 2 333.476 1.388 20 0 EDADLP CCOC(=O)[C@H](CCc1ccccc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000903717037 592279511 /nfs/dbraw/zinc/27/95/11/592279511.db2.gz XRFUUPKQGSQNBO-SFHVURJKSA-N 2 2 333.476 1.388 20 0 EDADLP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000906734512 592301717 /nfs/dbraw/zinc/30/17/17/592301717.db2.gz HHJYLYAPNAXZNK-OAHLLOKOSA-N 2 2 341.415 1.459 20 0 EDADLP C/C(=C/C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000901338545 592335363 /nfs/dbraw/zinc/33/53/63/592335363.db2.gz WVRINIMMYHAEFB-MTMYEVCSSA-N 2 2 345.487 1.902 20 0 EDADLP C/C(=C/C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000901338545 592335367 /nfs/dbraw/zinc/33/53/67/592335367.db2.gz WVRINIMMYHAEFB-MTMYEVCSSA-N 2 2 345.487 1.902 20 0 EDADLP CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903889979 592352077 /nfs/dbraw/zinc/35/20/77/592352077.db2.gz WYAKONCWGLVIEC-HUUCEWRRSA-N 2 2 334.468 1.083 20 0 EDADLP CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903889979 592352080 /nfs/dbraw/zinc/35/20/80/592352080.db2.gz WYAKONCWGLVIEC-HUUCEWRRSA-N 2 2 334.468 1.083 20 0 EDADLP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000906841503 592365621 /nfs/dbraw/zinc/36/56/21/592365621.db2.gz MAQXUFKWKVRNLY-IAGOWNOFSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1nc([C@@H]2CCC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903898369 592368585 /nfs/dbraw/zinc/36/85/85/592368585.db2.gz KHXPWSCGXDFICI-HUUCEWRRSA-N 2 2 331.468 1.152 20 0 EDADLP Cc1nc([C@@H]2CCC[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903898369 592368587 /nfs/dbraw/zinc/36/85/87/592368587.db2.gz KHXPWSCGXDFICI-HUUCEWRRSA-N 2 2 331.468 1.152 20 0 EDADLP O[C@H](C[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000905034718 592372694 /nfs/dbraw/zinc/37/26/94/592372694.db2.gz BFUDBGUSDJOQGH-ZWKOTPCHSA-N 2 2 329.444 1.836 20 0 EDADLP O[C@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)CC1(O)CCCCC1 ZINC000905038945 592376140 /nfs/dbraw/zinc/37/61/40/592376140.db2.gz DOXXZZJHSRFWGR-INIZCTEOSA-N 2 2 330.432 1.803 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957316 592390070 /nfs/dbraw/zinc/39/00/70/592390070.db2.gz PTLLJVVNGAEJFC-GFCCVEGCSA-N 2 2 329.439 1.944 20 0 EDADLP CC(C)N1CC[C@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901728152 592446584 /nfs/dbraw/zinc/44/65/84/592446584.db2.gz LJHVTFGGYXCBEF-QWRGUYRKSA-N 2 2 341.253 1.559 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)nc1 ZINC000904307902 592473542 /nfs/dbraw/zinc/47/35/42/592473542.db2.gz YRCNNHRXQGDYKD-IBGZPJMESA-N 2 2 346.475 1.770 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904315809 592474301 /nfs/dbraw/zinc/47/43/01/592474301.db2.gz FBLPVARAJAYSEN-CRAIPNDOSA-N 2 2 339.480 1.110 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904315809 592474305 /nfs/dbraw/zinc/47/43/05/592474305.db2.gz FBLPVARAJAYSEN-CRAIPNDOSA-N 2 2 339.480 1.110 20 0 EDADLP C[N@H+](CCN1CC[NH+](Cc2ccc(N)nn2)CC1)Cc1ccccc1 ZINC000904318881 592475908 /nfs/dbraw/zinc/47/59/08/592475908.db2.gz YQBPRDPXLBLCEX-UHFFFAOYSA-N 2 2 340.475 1.308 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2ccc(N)nn2)CC1)Cc1ccccc1 ZINC000904318881 592475910 /nfs/dbraw/zinc/47/59/10/592475910.db2.gz YQBPRDPXLBLCEX-UHFFFAOYSA-N 2 2 340.475 1.308 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)C1 ZINC000905400441 592520929 /nfs/dbraw/zinc/52/09/29/592520929.db2.gz TUBWOQNZGHJGGA-ROUUACIJSA-N 2 2 336.476 1.389 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)C1 ZINC000905400441 592520931 /nfs/dbraw/zinc/52/09/31/592520931.db2.gz TUBWOQNZGHJGGA-ROUUACIJSA-N 2 2 336.476 1.389 20 0 EDADLP O[C@@H](C[NH2+]C[C@]12CCC[C@H]1OCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000905565111 592567925 /nfs/dbraw/zinc/56/79/25/592567925.db2.gz GYWKZMVFUOSTQK-XUVXKRRUSA-N 2 2 330.472 1.954 20 0 EDADLP O[C@@H](C[NH2+]C[C@]12CCC[C@H]1OCC2)C[N@H+]1CCc2ccccc2C1 ZINC000905565111 592567928 /nfs/dbraw/zinc/56/79/28/592567928.db2.gz GYWKZMVFUOSTQK-XUVXKRRUSA-N 2 2 330.472 1.954 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)c2cc1C ZINC000905573507 592570864 /nfs/dbraw/zinc/57/08/64/592570864.db2.gz WDKLFSIEEIMIMW-JEWRLFTDSA-N 2 2 345.443 1.408 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)c1c(F)cccc1F ZINC000905620508 592587842 /nfs/dbraw/zinc/58/78/42/592587842.db2.gz SBRAYGBPZOJEJW-CZUORRHYSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)c1c(F)cccc1F ZINC000905620508 592587845 /nfs/dbraw/zinc/58/78/45/592587845.db2.gz SBRAYGBPZOJEJW-CZUORRHYSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)COc1ccc(F)cc1 ZINC000905626439 592589830 /nfs/dbraw/zinc/58/98/30/592589830.db2.gz VGTZVMHJXLEDIP-SJORKVTESA-N 2 2 338.423 1.408 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)COc1ccc(F)cc1 ZINC000905626439 592589832 /nfs/dbraw/zinc/58/98/32/592589832.db2.gz VGTZVMHJXLEDIP-SJORKVTESA-N 2 2 338.423 1.408 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[NH2+]CCC34CCC4)nc[nH+]2)C1 ZINC000905658401 592599244 /nfs/dbraw/zinc/59/92/44/592599244.db2.gz JAWIZVQXMUSSKC-GJZGRUSLSA-N 2 2 331.464 1.406 20 0 EDADLP Cc1ncccc1CC[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000905701263 592614950 /nfs/dbraw/zinc/61/49/50/592614950.db2.gz ZJLIJTUDGAHHTQ-HXUWFJFHSA-N 2 2 325.456 1.941 20 0 EDADLP Cc1ncccc1CC[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000905701263 592614952 /nfs/dbraw/zinc/61/49/52/592614952.db2.gz ZJLIJTUDGAHHTQ-HXUWFJFHSA-N 2 2 325.456 1.941 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905937862 592689123 /nfs/dbraw/zinc/68/91/23/592689123.db2.gz NMFSSRMRDBSRRJ-DLBZAZTESA-N 2 2 328.497 1.237 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905937862 592689124 /nfs/dbraw/zinc/68/91/24/592689124.db2.gz NMFSSRMRDBSRRJ-DLBZAZTESA-N 2 2 328.497 1.237 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3CC[NH+](C)C4)C[C@]2(C)C1 ZINC000907563975 592711160 /nfs/dbraw/zinc/71/11/60/592711160.db2.gz KSAUVQBXFLKHPY-QAPCUYQASA-N 2 2 349.500 1.247 20 0 EDADLP C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3CC[NH+](C)C4)C[C@]2(C)C1 ZINC000907563975 592711164 /nfs/dbraw/zinc/71/11/64/592711164.db2.gz KSAUVQBXFLKHPY-QAPCUYQASA-N 2 2 349.500 1.247 20 0 EDADLP C[NH+]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3CC[N@H+](C)C4)C[C@]2(C)C1 ZINC000907563975 592711166 /nfs/dbraw/zinc/71/11/66/592711166.db2.gz KSAUVQBXFLKHPY-QAPCUYQASA-N 2 2 349.500 1.247 20 0 EDADLP C[NH+]1C[C@@H]2CN(S(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)C[C@]2(C)C1 ZINC000907563975 592711170 /nfs/dbraw/zinc/71/11/70/592711170.db2.gz KSAUVQBXFLKHPY-QAPCUYQASA-N 2 2 349.500 1.247 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906104450 592744830 /nfs/dbraw/zinc/74/48/30/592744830.db2.gz OLSDSZMYJUAKMD-KRWDZBQOSA-N 2 2 348.491 1.425 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906238456 592768641 /nfs/dbraw/zinc/76/86/41/592768641.db2.gz DVLZXSJDGAPICS-IRXDYDNUSA-N 2 2 346.475 1.177 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906238456 592768643 /nfs/dbraw/zinc/76/86/43/592768643.db2.gz DVLZXSJDGAPICS-IRXDYDNUSA-N 2 2 346.475 1.177 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000909212551 592771074 /nfs/dbraw/zinc/77/10/74/592771074.db2.gz OVFLWCAYDZVVMB-SFHVURJKSA-N 2 2 338.540 1.735 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000909212551 592771075 /nfs/dbraw/zinc/77/10/75/592771075.db2.gz OVFLWCAYDZVVMB-SFHVURJKSA-N 2 2 338.540 1.735 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](CC)C[C@@H]2CC)C1 ZINC000909212061 592771283 /nfs/dbraw/zinc/77/12/83/592771283.db2.gz HMSAZPRMMQUJIG-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](CC)C[C@@H]2CC)C1 ZINC000909212061 592771286 /nfs/dbraw/zinc/77/12/86/592771286.db2.gz HMSAZPRMMQUJIG-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](CC)C[C@@H]2CC)C1 ZINC000909212061 592771289 /nfs/dbraw/zinc/77/12/89/592771289.db2.gz HMSAZPRMMQUJIG-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](CC)C[C@@H]2CC)C1 ZINC000909212061 592771291 /nfs/dbraw/zinc/77/12/91/592771291.db2.gz HMSAZPRMMQUJIG-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000907805546 592788971 /nfs/dbraw/zinc/78/89/71/592788971.db2.gz UPARTYYRBCTXEX-IYBDPMFKSA-N 2 2 339.443 1.666 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000907805546 592788972 /nfs/dbraw/zinc/78/89/72/592788972.db2.gz UPARTYYRBCTXEX-IYBDPMFKSA-N 2 2 339.443 1.666 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C34CC[NH+](CC3)C4)ccc2n1[C@@H](C)CO ZINC000909288615 592791288 /nfs/dbraw/zinc/79/12/88/592791288.db2.gz LWJZTTFEKJRMCQ-LBPRGKRZSA-N 2 2 328.416 1.932 20 0 EDADLP Cn1ccnc1[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000906538406 592846956 /nfs/dbraw/zinc/84/69/56/592846956.db2.gz CJDNVTNDFWRLQI-BRWVUGGUSA-N 2 2 334.464 1.483 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000906590604 592852646 /nfs/dbraw/zinc/85/26/46/592852646.db2.gz BXTHGPVJCYXUJZ-KRWDZBQOSA-N 2 2 346.475 1.095 20 0 EDADLP C[C@H](C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000910780747 592893931 /nfs/dbraw/zinc/89/39/31/592893931.db2.gz LGPTYMCJLWLDIP-MRXNPFEDSA-N 2 2 345.512 1.911 20 0 EDADLP C[C@H](C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000910780747 592893932 /nfs/dbraw/zinc/89/39/32/592893932.db2.gz LGPTYMCJLWLDIP-MRXNPFEDSA-N 2 2 345.512 1.911 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)[nH+]1 ZINC000910875408 592899319 /nfs/dbraw/zinc/89/93/19/592899319.db2.gz KPXOLLVBKOQMEO-UHFFFAOYSA-N 2 2 336.480 1.456 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCC(C[N@@H+](CCO)C(C)C)CC2)[nH+]1 ZINC000910875408 592899320 /nfs/dbraw/zinc/89/93/20/592899320.db2.gz KPXOLLVBKOQMEO-UHFFFAOYSA-N 2 2 336.480 1.456 20 0 EDADLP O=C(NC[C@H]1CCCCC[NH2+]1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000911556415 592945012 /nfs/dbraw/zinc/94/50/12/592945012.db2.gz JVOLBGZGQUQBOS-KGLIPLIRSA-N 2 2 333.436 1.112 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cn1 ZINC000911843761 593022208 /nfs/dbraw/zinc/02/22/08/593022208.db2.gz NJMPZBGDPMTHLZ-IRXDYDNUSA-N 2 2 346.475 1.372 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)F)[C@@H](C[NH3+])C1 ZINC000911877695 593029521 /nfs/dbraw/zinc/02/95/21/593029521.db2.gz CDWMSHBPEKUMMW-SWLSCSKDSA-N 2 2 337.370 1.197 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000912284079 593082587 /nfs/dbraw/zinc/08/25/87/593082587.db2.gz NZPCFFZVTJPLNV-INIZCTEOSA-N 2 2 348.491 1.423 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000912284079 593082588 /nfs/dbraw/zinc/08/25/88/593082588.db2.gz NZPCFFZVTJPLNV-INIZCTEOSA-N 2 2 348.491 1.423 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000802732881 593274126 /nfs/dbraw/zinc/27/41/26/593274126.db2.gz IQMNBRSDCJGYRO-URLQWDBASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000802732881 593274128 /nfs/dbraw/zinc/27/41/28/593274128.db2.gz IQMNBRSDCJGYRO-URLQWDBASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1=O ZINC000802732881 593274129 /nfs/dbraw/zinc/27/41/29/593274129.db2.gz IQMNBRSDCJGYRO-URLQWDBASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1=O ZINC000802732881 593274131 /nfs/dbraw/zinc/27/41/31/593274131.db2.gz IQMNBRSDCJGYRO-URLQWDBASA-N 2 2 348.491 1.861 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030746 593395027 /nfs/dbraw/zinc/39/50/27/593395027.db2.gz MNCWDXWMCOUHFD-OOBKVVHMSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030746 593395029 /nfs/dbraw/zinc/39/50/29/593395029.db2.gz MNCWDXWMCOUHFD-OOBKVVHMSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030746 593395032 /nfs/dbraw/zinc/39/50/32/593395032.db2.gz MNCWDXWMCOUHFD-OOBKVVHMSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030746 593395035 /nfs/dbraw/zinc/39/50/35/593395035.db2.gz MNCWDXWMCOUHFD-OOBKVVHMSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C[C@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000758242821 593398052 /nfs/dbraw/zinc/39/80/52/593398052.db2.gz YFUYEHGORJUOFQ-MBOZVWFJSA-N 2 2 342.487 1.945 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C[C@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000758242821 593398055 /nfs/dbraw/zinc/39/80/55/593398055.db2.gz YFUYEHGORJUOFQ-MBOZVWFJSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C[C@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000758242821 593398058 /nfs/dbraw/zinc/39/80/58/593398058.db2.gz YFUYEHGORJUOFQ-MBOZVWFJSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C[C@](C)(c4ccccn4)CC3=O)CC[C@H]21 ZINC000758242821 593398060 /nfs/dbraw/zinc/39/80/60/593398060.db2.gz YFUYEHGORJUOFQ-MBOZVWFJSA-N 2 2 342.487 1.945 20 0 EDADLP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000840265952 593508603 /nfs/dbraw/zinc/50/86/03/593508603.db2.gz BJHQQYJDWUQDDF-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP COC(=O)C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000817275924 593587260 /nfs/dbraw/zinc/58/72/60/593587260.db2.gz NVUQFVVRTMSMRV-GOSISDBHSA-N 2 2 332.444 1.950 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000817775545 593630739 /nfs/dbraw/zinc/63/07/39/593630739.db2.gz RUYNTPVXPXETON-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000817775545 593630741 /nfs/dbraw/zinc/63/07/41/593630741.db2.gz RUYNTPVXPXETON-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1c[nH+]ccc1N ZINC000817892050 593645794 /nfs/dbraw/zinc/64/57/94/593645794.db2.gz JJLVFWKHFYFECC-ZDUSSCGKSA-N 2 2 334.445 1.264 20 0 EDADLP O=C1OCCN1c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817922184 593649109 /nfs/dbraw/zinc/64/91/09/593649109.db2.gz SSRQPDBZCUOVNU-IAGOWNOFSA-N 2 2 331.416 1.500 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000818339633 593693848 /nfs/dbraw/zinc/69/38/48/593693848.db2.gz BGFLZWQFXLTEQB-ZTFGCOKTSA-N 2 2 346.475 1.710 20 0 EDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000820563710 593833674 /nfs/dbraw/zinc/83/36/74/593833674.db2.gz UFKWGNAPQOPXJL-CYBMUJFWSA-N 2 2 338.419 1.483 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000823747715 593848586 /nfs/dbraw/zinc/84/85/86/593848586.db2.gz IKRMMBIFOZMVRO-UHFFFAOYSA-N 2 2 339.403 1.609 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823825327 593868913 /nfs/dbraw/zinc/86/89/13/593868913.db2.gz KPKRELIDQINCBJ-LBPRGKRZSA-N 2 2 328.819 1.551 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccnc(Cl)c2F)C1 ZINC000823825327 593868914 /nfs/dbraw/zinc/86/89/14/593868914.db2.gz KPKRELIDQINCBJ-LBPRGKRZSA-N 2 2 328.819 1.551 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cnnn1C ZINC000820809098 593895127 /nfs/dbraw/zinc/89/51/27/593895127.db2.gz UCTSWNGPKLWZIT-CABCVRRESA-N 2 2 329.448 1.887 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cnnn1C ZINC000820809098 593895128 /nfs/dbraw/zinc/89/51/28/593895128.db2.gz UCTSWNGPKLWZIT-CABCVRRESA-N 2 2 329.448 1.887 20 0 EDADLP C[C@H](C[NH2+][C@H](C)c1cccc(-n2cnnc2)c1)C[NH+]1CCOCC1 ZINC000820810914 593895235 /nfs/dbraw/zinc/89/52/35/593895235.db2.gz HLEZFVCMTSKVQQ-HZPDHXFCSA-N 2 2 329.448 1.886 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000821911310 593964630 /nfs/dbraw/zinc/96/46/30/593964630.db2.gz ZCAOUFROMCKNCT-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000821911310 593964632 /nfs/dbraw/zinc/96/46/32/593964632.db2.gz ZCAOUFROMCKNCT-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C ZINC000822443200 594049527 /nfs/dbraw/zinc/04/95/27/594049527.db2.gz RALHADZCYYGJSY-ZDUSSCGKSA-N 2 2 337.468 1.833 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1C ZINC000822443200 594049528 /nfs/dbraw/zinc/04/95/28/594049528.db2.gz RALHADZCYYGJSY-ZDUSSCGKSA-N 2 2 337.468 1.833 20 0 EDADLP CCN1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1=O ZINC000824886929 594091241 /nfs/dbraw/zinc/09/12/41/594091241.db2.gz ODZUQYBWUSCKNR-MRXNPFEDSA-N 2 2 330.476 1.932 20 0 EDADLP [NH3+][C@@H](CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)C1CC1 ZINC000826010417 594305682 /nfs/dbraw/zinc/30/56/82/594305682.db2.gz QNSDVIHSFLVLCT-INIZCTEOSA-N 2 2 345.443 1.229 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000826167775 594359075 /nfs/dbraw/zinc/35/90/75/594359075.db2.gz QSMIRWOYCCJACS-DOMZBBRYSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000826167775 594359076 /nfs/dbraw/zinc/35/90/76/594359076.db2.gz QSMIRWOYCCJACS-DOMZBBRYSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000826167775 594359077 /nfs/dbraw/zinc/35/90/77/594359077.db2.gz QSMIRWOYCCJACS-DOMZBBRYSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000826167775 594359078 /nfs/dbraw/zinc/35/90/78/594359078.db2.gz QSMIRWOYCCJACS-DOMZBBRYSA-N 2 2 330.436 1.790 20 0 EDADLP Cc1ccnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826313109 594420172 /nfs/dbraw/zinc/42/01/72/594420172.db2.gz WISCLLHOFZVUGB-ZDUSSCGKSA-N 2 2 342.451 1.151 20 0 EDADLP Cc1ccnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826313109 594420174 /nfs/dbraw/zinc/42/01/74/594420174.db2.gz WISCLLHOFZVUGB-ZDUSSCGKSA-N 2 2 342.451 1.151 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826364440 594445799 /nfs/dbraw/zinc/44/57/99/594445799.db2.gz WPXVPYAKGNUDNY-AWEZNQCLSA-N 2 2 339.403 1.469 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826364440 594445800 /nfs/dbraw/zinc/44/58/00/594445800.db2.gz WPXVPYAKGNUDNY-AWEZNQCLSA-N 2 2 339.403 1.469 20 0 EDADLP Cc1cc([C@@H]([NH3+])CC(=O)N[C@H](C)C[NH+]2CCOCC2)cc(Cl)n1 ZINC000827080786 594636048 /nfs/dbraw/zinc/63/60/48/594636048.db2.gz MINKJXKVSZOMAC-OCCSQVGLSA-N 2 2 340.855 1.270 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)CC[C@@H]21 ZINC000827233003 594655129 /nfs/dbraw/zinc/65/51/29/594655129.db2.gz NZQDNPLBJIXBON-BBRMVZONSA-N 2 2 326.400 1.744 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)CC[C@@H]21 ZINC000827233003 594655130 /nfs/dbraw/zinc/65/51/30/594655130.db2.gz NZQDNPLBJIXBON-BBRMVZONSA-N 2 2 326.400 1.744 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000831848998 594707097 /nfs/dbraw/zinc/70/70/97/594707097.db2.gz QPYICKMGQOZTEA-UHFFFAOYSA-N 2 2 328.416 1.708 20 0 EDADLP COc1ccccc1[C@H](NC(=O)NCC1([NH3+])CCC1)c1[nH+]ccn1C ZINC000841670249 594933209 /nfs/dbraw/zinc/93/32/09/594933209.db2.gz QIUMQGHEFVJYRS-HNNXBMFYSA-N 2 2 343.431 1.699 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCc2ccc(CC[NH3+])cc2)CCO1 ZINC000841773455 594949375 /nfs/dbraw/zinc/94/93/75/594949375.db2.gz CLSDYTRMFGVWCJ-UHFFFAOYSA-N 2 2 334.464 1.098 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(CC[NH3+])cc2)CCO1 ZINC000841773455 594949377 /nfs/dbraw/zinc/94/93/77/594949377.db2.gz CLSDYTRMFGVWCJ-UHFFFAOYSA-N 2 2 334.464 1.098 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H]3C[NH2+]CCC3(F)F)[nH+]c12 ZINC000841848772 594965326 /nfs/dbraw/zinc/96/53/26/594965326.db2.gz BUFLBLNPUMOCJZ-ZDUSSCGKSA-N 2 2 337.374 1.482 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000841976115 594993845 /nfs/dbraw/zinc/99/38/45/594993845.db2.gz GSJPZHDHLPGMQK-STQMWFEESA-N 2 2 339.509 1.193 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000842057206 595010741 /nfs/dbraw/zinc/01/07/41/595010741.db2.gz GYTQXYFWOWGLHQ-HNNXBMFYSA-N 2 2 343.431 1.122 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC[C@H]1[NH3+] ZINC000843354274 595084695 /nfs/dbraw/zinc/08/46/95/595084695.db2.gz XAFIEKSLKPKUEO-WMLDXEAASA-N 2 2 344.459 1.099 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC[C@H]1[NH3+] ZINC000843354274 595084700 /nfs/dbraw/zinc/08/47/00/595084700.db2.gz XAFIEKSLKPKUEO-WMLDXEAASA-N 2 2 344.459 1.099 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843363067 595087547 /nfs/dbraw/zinc/08/75/47/595087547.db2.gz MJPNGTLOBIVMMB-JSGCOSHPSA-N 2 2 343.431 1.671 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843363067 595087549 /nfs/dbraw/zinc/08/75/49/595087549.db2.gz MJPNGTLOBIVMMB-JSGCOSHPSA-N 2 2 343.431 1.671 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843368391 595089916 /nfs/dbraw/zinc/08/99/16/595089916.db2.gz RNDLDWOTIMDNEU-APPDUMDISA-N 2 2 329.404 1.281 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843368391 595089919 /nfs/dbraw/zinc/08/99/19/595089919.db2.gz RNDLDWOTIMDNEU-APPDUMDISA-N 2 2 329.404 1.281 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000105121119 595092623 /nfs/dbraw/zinc/09/26/23/595092623.db2.gz GHPLKLSYQOORRL-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000105121119 595092626 /nfs/dbraw/zinc/09/26/26/595092626.db2.gz GHPLKLSYQOORRL-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP Cc1ccc(N2CCC[C@H]([NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)C2=O)cc1 ZINC000843384995 595095625 /nfs/dbraw/zinc/09/56/25/595095625.db2.gz NSVLXFIRAMFPNY-MOPGFXCFSA-N 2 2 342.487 1.470 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842474600 595114186 /nfs/dbraw/zinc/11/41/86/595114186.db2.gz VTVSZFDMQFTSTR-LRDDRELGSA-N 2 2 343.431 1.671 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842474600 595114188 /nfs/dbraw/zinc/11/41/88/595114188.db2.gz VTVSZFDMQFTSTR-LRDDRELGSA-N 2 2 343.431 1.671 20 0 EDADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000842673809 595166382 /nfs/dbraw/zinc/16/63/82/595166382.db2.gz RUQDULGLBUXWOU-UHFFFAOYSA-N 2 2 343.468 1.827 20 0 EDADLP O=S(=O)(C1C[NH+](Cc2cccc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000843054888 595275988 /nfs/dbraw/zinc/27/59/88/595275988.db2.gz MIODUUXREZGBIU-UHFFFAOYSA-N 2 2 345.468 1.259 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)C[NH+]1CCCCC1 ZINC000843062809 595277788 /nfs/dbraw/zinc/27/77/88/595277788.db2.gz SIUXKDAVUSLAMG-XJKSGUPXSA-N 2 2 330.831 1.949 20 0 EDADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000844171124 595290380 /nfs/dbraw/zinc/29/03/80/595290380.db2.gz DVYJQXJGEIYASR-CVEARBPZSA-N 2 2 344.463 1.849 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000846671299 595297632 /nfs/dbraw/zinc/29/76/32/595297632.db2.gz RDXMCGCNEDQVNJ-CHWSQXEVSA-N 2 2 334.247 1.422 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000846671446 595297745 /nfs/dbraw/zinc/29/77/45/595297745.db2.gz SWYKTKSHMZWAFH-CHWSQXEVSA-N 2 2 334.247 1.422 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(-c2noc(C[NH2+]C[C@H]3CCCO3)n2)cn1 ZINC000843183845 595300988 /nfs/dbraw/zinc/30/09/88/595300988.db2.gz HNOFKXYSJNEGOU-CQSZACIVSA-N 2 2 340.387 1.894 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000844224587 595308530 /nfs/dbraw/zinc/30/85/30/595308530.db2.gz HXFDHNIUEZZFIG-PVAVHDDUSA-N 2 2 345.491 1.536 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000844224587 595308532 /nfs/dbraw/zinc/30/85/32/595308532.db2.gz HXFDHNIUEZZFIG-PVAVHDDUSA-N 2 2 345.491 1.536 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000844225322 595309159 /nfs/dbraw/zinc/30/91/59/595309159.db2.gz NDWOBPCNVOWIIU-CQSZACIVSA-N 2 2 331.464 1.290 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846942252 595340943 /nfs/dbraw/zinc/34/09/43/595340943.db2.gz YVNADDUQJPLBGK-UHFFFAOYSA-N 2 2 341.496 1.678 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000846990973 595347651 /nfs/dbraw/zinc/34/76/51/595347651.db2.gz GZNZRCBPYBUHFW-AWEZNQCLSA-N 2 2 327.856 1.891 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000846990973 595347654 /nfs/dbraw/zinc/34/76/54/595347654.db2.gz GZNZRCBPYBUHFW-AWEZNQCLSA-N 2 2 327.856 1.891 20 0 EDADLP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@H](O)C[NH+]1CCCC1 ZINC000847070397 595359612 /nfs/dbraw/zinc/35/96/12/595359612.db2.gz PTDKTFLLWGNHLX-ZDUSSCGKSA-N 2 2 328.359 1.897 20 0 EDADLP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@H](O)C[NH+]1CCCC1 ZINC000847070397 595359614 /nfs/dbraw/zinc/35/96/14/595359614.db2.gz PTDKTFLLWGNHLX-ZDUSSCGKSA-N 2 2 328.359 1.897 20 0 EDADLP C[C@H]1C[N@H+](CN2C(=O)CC23CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000844698167 595377022 /nfs/dbraw/zinc/37/70/22/595377022.db2.gz MBVJJGUWSUSPOS-IRXDYDNUSA-N 2 2 334.508 1.447 20 0 EDADLP C[C@H]1C[N@@H+](CN2C(=O)CC23CCCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000844698167 595377024 /nfs/dbraw/zinc/37/70/24/595377024.db2.gz MBVJJGUWSUSPOS-IRXDYDNUSA-N 2 2 334.508 1.447 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)cccc1F ZINC000848533829 595403422 /nfs/dbraw/zinc/40/34/22/595403422.db2.gz NRHWFTLFHLIDQC-CJNGLKHVSA-N 2 2 326.387 1.841 20 0 EDADLP C[NH+](C)CC[C@H](N)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000844915707 595413710 /nfs/dbraw/zinc/41/37/10/595413710.db2.gz UORJJAMNIDYILR-JKSUJKDBSA-N 2 2 345.447 1.595 20 0 EDADLP C[NH+](C)CC[C@H](N)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000844915707 595413712 /nfs/dbraw/zinc/41/37/12/595413712.db2.gz UORJJAMNIDYILR-JKSUJKDBSA-N 2 2 345.447 1.595 20 0 EDADLP c1cc(N2CCCC2)nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH+]1 ZINC000848792952 595449297 /nfs/dbraw/zinc/44/92/97/595449297.db2.gz DKGZBNIEOBEXTP-MRXNPFEDSA-N 2 2 331.464 1.768 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)o1 ZINC000848886918 595462960 /nfs/dbraw/zinc/46/29/60/595462960.db2.gz KKIKCRRRRIKWLX-SREVYHEPSA-N 2 2 336.432 1.744 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)o1 ZINC000848886918 595462961 /nfs/dbraw/zinc/46/29/61/595462961.db2.gz KKIKCRRRRIKWLX-SREVYHEPSA-N 2 2 336.432 1.744 20 0 EDADLP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000849012582 595474388 /nfs/dbraw/zinc/47/43/88/595474388.db2.gz ANAXOKZLTVUBHM-JKSUJKDBSA-N 2 2 326.485 1.416 20 0 EDADLP [NH2+]=C(NCCn1cc[nH+]c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849053306 595475856 /nfs/dbraw/zinc/47/58/56/595475856.db2.gz WPFNMRKBLDVFMV-UHFFFAOYSA-N 3 2 326.448 1.662 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](COC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000845468879 595503123 /nfs/dbraw/zinc/50/31/23/595503123.db2.gz GUCVWNWUFMCVDM-INIZCTEOSA-N 2 2 335.448 1.662 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](COC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000845468879 595503125 /nfs/dbraw/zinc/50/31/25/595503125.db2.gz GUCVWNWUFMCVDM-INIZCTEOSA-N 2 2 335.448 1.662 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000849429683 595525070 /nfs/dbraw/zinc/52/50/70/595525070.db2.gz UKGIYTWDKOTVRV-NTEUORMPSA-N 2 2 343.468 1.599 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000849429683 595525071 /nfs/dbraw/zinc/52/50/71/595525071.db2.gz UKGIYTWDKOTVRV-NTEUORMPSA-N 2 2 343.468 1.599 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@@H]([NH3+])COC(C)C)c1[nH+]ccn1C ZINC000852784223 595540520 /nfs/dbraw/zinc/54/05/20/595540520.db2.gz GRWJTOLOTKYTHH-HOCLYGCPSA-N 2 2 346.431 1.387 20 0 EDADLP CCc1c[nH+]ccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849548094 595561936 /nfs/dbraw/zinc/56/19/36/595561936.db2.gz LRPJMDXJRQNGIA-HZPDHXFCSA-N 2 2 327.432 1.473 20 0 EDADLP CCc1c[nH+]ccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849548094 595561939 /nfs/dbraw/zinc/56/19/39/595561939.db2.gz LRPJMDXJRQNGIA-HZPDHXFCSA-N 2 2 327.432 1.473 20 0 EDADLP CCc1c[nH+]ccc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849548092 595562252 /nfs/dbraw/zinc/56/22/52/595562252.db2.gz LRPJMDXJRQNGIA-CVEARBPZSA-N 2 2 327.432 1.473 20 0 EDADLP CCc1c[nH+]ccc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849548092 595562254 /nfs/dbraw/zinc/56/22/54/595562254.db2.gz LRPJMDXJRQNGIA-CVEARBPZSA-N 2 2 327.432 1.473 20 0 EDADLP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)=NO1 ZINC000852855273 595577343 /nfs/dbraw/zinc/57/73/43/595577343.db2.gz YBBDYKUEMMPQFY-CQSZACIVSA-N 2 2 336.823 1.088 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852872606 595591144 /nfs/dbraw/zinc/59/11/44/595591144.db2.gz IWABRSJEKJAVDQ-MSOLQXFVSA-N 2 2 346.475 1.201 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000852872606 595591145 /nfs/dbraw/zinc/59/11/45/595591145.db2.gz IWABRSJEKJAVDQ-MSOLQXFVSA-N 2 2 346.475 1.201 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)c1ccc(Cl)cc1F ZINC000855415338 595704650 /nfs/dbraw/zinc/70/46/50/595704650.db2.gz VMZWVSBXPGYCPX-HNNXBMFYSA-N 2 2 345.846 1.512 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)c1ccc(Cl)cc1F ZINC000855415338 595704652 /nfs/dbraw/zinc/70/46/52/595704652.db2.gz VMZWVSBXPGYCPX-HNNXBMFYSA-N 2 2 345.846 1.512 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1occc1Br ZINC000858224852 595735829 /nfs/dbraw/zinc/73/58/29/595735829.db2.gz UMQRAGWSNGHYNI-NSHDSACASA-N 2 2 330.226 1.472 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1occc1Br ZINC000858224852 595735834 /nfs/dbraw/zinc/73/58/34/595735834.db2.gz UMQRAGWSNGHYNI-NSHDSACASA-N 2 2 330.226 1.472 20 0 EDADLP Cc1c[nH+]cn1CC(=O)O[C@H]1C[C@H](OC(=O)Cn2c[nH+]cc2C)C1 ZINC000860728114 595776969 /nfs/dbraw/zinc/77/69/69/595776969.db2.gz OITNWYVOXPNHHI-HDJSIYSDSA-N 2 2 332.360 1.014 20 0 EDADLP Cc1ccc2c(c1)C[N@H+](CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CC2 ZINC000853533374 595788953 /nfs/dbraw/zinc/78/89/53/595788953.db2.gz DYYLIMNWAATWLE-UHFFFAOYSA-N 2 2 342.443 1.327 20 0 EDADLP Cc1ccc2c(c1)C[N@@H+](CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CC2 ZINC000853533374 595788955 /nfs/dbraw/zinc/78/89/55/595788955.db2.gz DYYLIMNWAATWLE-UHFFFAOYSA-N 2 2 342.443 1.327 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC(c3ccon3)CC2)C1 ZINC000853590170 595818507 /nfs/dbraw/zinc/81/85/07/595818507.db2.gz RBPPDQAVGNZACP-CQSZACIVSA-N 2 2 329.404 1.561 20 0 EDADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853965054 595935579 /nfs/dbraw/zinc/93/55/79/595935579.db2.gz CZFCHHYILTWQGF-CQSZACIVSA-N 2 2 344.463 1.617 20 0 EDADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853965054 595935582 /nfs/dbraw/zinc/93/55/82/595935582.db2.gz CZFCHHYILTWQGF-CQSZACIVSA-N 2 2 344.463 1.617 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018997 596009855 /nfs/dbraw/zinc/00/98/55/596009855.db2.gz SEGXDEITAXXUBO-CRAIPNDOSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018997 596009859 /nfs/dbraw/zinc/00/98/59/596009859.db2.gz SEGXDEITAXXUBO-CRAIPNDOSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018997 596009863 /nfs/dbraw/zinc/00/98/63/596009863.db2.gz SEGXDEITAXXUBO-CRAIPNDOSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018997 596009867 /nfs/dbraw/zinc/00/98/67/596009867.db2.gz SEGXDEITAXXUBO-CRAIPNDOSA-N 2 2 343.512 1.924 20 0 EDADLP Cc1nc(N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(C)c(C)[nH+]1 ZINC000864563344 596266056 /nfs/dbraw/zinc/26/60/56/596266056.db2.gz CHBMUPCDSLPVGR-CABCVRRESA-N 2 2 331.420 1.163 20 0 EDADLP COc1ccccc1-c1nc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)co1 ZINC000866665203 596284120 /nfs/dbraw/zinc/28/41/20/596284120.db2.gz DZHADHJWZXXLQX-MRXNPFEDSA-N 2 2 342.443 1.830 20 0 EDADLP Cc1ccc(N2CCC[C@H]([NH+]3CCC([NH2+]CCO)CC3)C2=O)cc1 ZINC000866681535 596292076 /nfs/dbraw/zinc/29/20/76/596292076.db2.gz AENUIYZLICJVLF-SFHVURJKSA-N 2 2 331.460 1.537 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOc3cc(N)ccc3C2)CC1 ZINC000866688939 596295311 /nfs/dbraw/zinc/29/53/11/596295311.db2.gz APWLQYVRUZNYMI-AWEZNQCLSA-N 2 2 332.448 1.016 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOc3cc(N)ccc3C2)CC1 ZINC000866688939 596295314 /nfs/dbraw/zinc/29/53/14/596295314.db2.gz APWLQYVRUZNYMI-AWEZNQCLSA-N 2 2 332.448 1.016 20 0 EDADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000868810826 596314132 /nfs/dbraw/zinc/31/41/32/596314132.db2.gz VXRLGSVDDWZRNP-LBPRGKRZSA-N 2 2 334.342 1.318 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000862463715 596332170 /nfs/dbraw/zinc/33/21/70/596332170.db2.gz KEMVLANMHHMKBW-LJQANCHMSA-N 2 2 333.476 1.528 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(F)CCOCC3)CC2)CC1 ZINC000868924023 596352883 /nfs/dbraw/zinc/35/28/83/596352883.db2.gz WIEQWFUSUBHTHZ-UHFFFAOYSA-N 2 2 341.471 1.524 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(F)CCOCC3)CC2)CC1 ZINC000868924023 596352885 /nfs/dbraw/zinc/35/28/85/596352885.db2.gz WIEQWFUSUBHTHZ-UHFFFAOYSA-N 2 2 341.471 1.524 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c[nH+]2)C[C@H](C)O1 ZINC000870866454 596382715 /nfs/dbraw/zinc/38/27/15/596382715.db2.gz WUUHCFPCXUDIIM-XWRAYQHHSA-N 2 2 344.459 1.439 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864887619 596405207 /nfs/dbraw/zinc/40/52/07/596405207.db2.gz MZOSXZGWVBDWQL-AWEZNQCLSA-N 2 2 333.423 1.192 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000864887619 596405211 /nfs/dbraw/zinc/40/52/11/596405211.db2.gz MZOSXZGWVBDWQL-AWEZNQCLSA-N 2 2 333.423 1.192 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000864942880 596422843 /nfs/dbraw/zinc/42/28/43/596422843.db2.gz MYWRKIZUDQPZCM-FPLPWBNLSA-N 2 2 325.497 1.701 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)C2)c1 ZINC000870978323 596424853 /nfs/dbraw/zinc/42/48/53/596424853.db2.gz SWRZIFQGMXJHGE-HBFSDRIKSA-N 2 2 343.471 1.312 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)C2)c1 ZINC000870978323 596424857 /nfs/dbraw/zinc/42/48/57/596424857.db2.gz SWRZIFQGMXJHGE-HBFSDRIKSA-N 2 2 343.471 1.312 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000870980181 596427496 /nfs/dbraw/zinc/42/74/96/596427496.db2.gz YTTWTCOUMCDTFH-BLLLJJGKSA-N 2 2 325.416 1.403 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000870980181 596427498 /nfs/dbraw/zinc/42/74/98/596427498.db2.gz YTTWTCOUMCDTFH-BLLLJJGKSA-N 2 2 325.416 1.403 20 0 EDADLP C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865027877 596449364 /nfs/dbraw/zinc/44/93/64/596449364.db2.gz AACSMYHRVCPAGU-QGZVFWFLSA-N 2 2 330.432 1.466 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865040830 596453757 /nfs/dbraw/zinc/45/37/57/596453757.db2.gz AESHAZNWBDBCIY-OAHLLOKOSA-N 2 2 338.358 1.312 20 0 EDADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000865177516 596501354 /nfs/dbraw/zinc/50/13/54/596501354.db2.gz IUKPMSCJFIXKNF-MRXNPFEDSA-N 2 2 348.422 1.585 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000871281094 596520705 /nfs/dbraw/zinc/52/07/05/596520705.db2.gz QMIILJKFBNCTGX-KRWDZBQOSA-N 2 2 328.416 1.209 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000871281094 596520707 /nfs/dbraw/zinc/52/07/07/596520707.db2.gz QMIILJKFBNCTGX-KRWDZBQOSA-N 2 2 328.416 1.209 20 0 EDADLP CC[NH+](CC)CCN(CCOC)c1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865593782 596621103 /nfs/dbraw/zinc/62/11/03/596621103.db2.gz JBTHSQXZIDDTII-UHFFFAOYSA-N 2 2 336.484 1.906 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000863570831 596622189 /nfs/dbraw/zinc/62/21/89/596622189.db2.gz LBQPKXSZXXAZBL-LSDHHAIUSA-N 2 2 343.830 1.442 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000863570831 596622192 /nfs/dbraw/zinc/62/21/92/596622192.db2.gz LBQPKXSZXXAZBL-LSDHHAIUSA-N 2 2 343.830 1.442 20 0 EDADLP C[NH+](C)C1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCC1 ZINC000119533308 596628629 /nfs/dbraw/zinc/62/86/29/596628629.db2.gz PPJUDUSNUFXHGX-UHFFFAOYSA-N 2 2 341.459 1.463 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000863644447 596642157 /nfs/dbraw/zinc/64/21/57/596642157.db2.gz WOJTXLPEEXJJQY-LJQANCHMSA-N 2 2 342.487 1.729 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000867999166 596649828 /nfs/dbraw/zinc/64/98/28/596649828.db2.gz TWKSYVVAOOWOCI-KRWDZBQOSA-N 2 2 340.431 1.119 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000867999166 596649831 /nfs/dbraw/zinc/64/98/31/596649831.db2.gz TWKSYVVAOOWOCI-KRWDZBQOSA-N 2 2 340.431 1.119 20 0 EDADLP COCCC1(NC(=O)C2CC[NH+](CC(F)F)CC2)CC[NH2+]CC1 ZINC000868044898 596667037 /nfs/dbraw/zinc/66/70/37/596667037.db2.gz QBYXEGMNURKPAO-UHFFFAOYSA-N 2 2 333.423 1.238 20 0 EDADLP C[NH+]1CCC(N(Cc2ccco2)C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865787571 596682872 /nfs/dbraw/zinc/68/28/72/596682872.db2.gz SWFNDKGENBUXBZ-GORDUTHDSA-N 2 2 347.459 1.591 20 0 EDADLP CC1(C)CC[C@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[NH2+]C1 ZINC000868266923 596754391 /nfs/dbraw/zinc/75/43/91/596754391.db2.gz CTFIVHOMMPADHY-GFCCVEGCSA-N 2 2 329.404 1.167 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[NH2+]2)cc1 ZINC000870144013 596769679 /nfs/dbraw/zinc/76/96/79/596769679.db2.gz AUXUSECSKZXACN-BRWVUGGUSA-N 2 2 340.427 1.705 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[NH2+]2)cc1 ZINC000870145105 596771210 /nfs/dbraw/zinc/77/12/10/596771210.db2.gz KHPPNXDBCJGGEF-CRAIPNDOSA-N 2 2 340.427 1.627 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC[NH2+]2)c1 ZINC000870151641 596774875 /nfs/dbraw/zinc/77/48/75/596774875.db2.gz GDTICNZEXVHERF-NVXWUHKLSA-N 2 2 349.500 1.605 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC[NH2+]2)c1 ZINC000870151641 596774877 /nfs/dbraw/zinc/77/48/77/596774877.db2.gz GDTICNZEXVHERF-NVXWUHKLSA-N 2 2 349.500 1.605 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[NH2+]2)c1 ZINC000870153634 596777374 /nfs/dbraw/zinc/77/73/74/596777374.db2.gz RVDLWCANDULSMD-BRWVUGGUSA-N 2 2 340.427 1.705 20 0 EDADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000872178380 596822151 /nfs/dbraw/zinc/82/21/51/596822151.db2.gz OKIQRJHMVNBGOX-GFCCVEGCSA-N 2 2 327.392 1.490 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000872188237 596826459 /nfs/dbraw/zinc/82/64/59/596826459.db2.gz SCORLPLRHGZNHE-UHFFFAOYSA-N 2 2 335.452 1.024 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000866266286 596842304 /nfs/dbraw/zinc/84/23/04/596842304.db2.gz GGCLMXHLBGCFAY-ARJAWSKDSA-N 2 2 346.431 1.014 20 0 EDADLP F[C@@H]1COc2ccccc2[C@@H]1[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000866268092 596842596 /nfs/dbraw/zinc/84/25/96/596842596.db2.gz MLCWEQFZOCVKKD-SUMDDJOVSA-N 2 2 349.450 1.454 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)C[C@H]1C ZINC000866412688 596880309 /nfs/dbraw/zinc/88/03/09/596880309.db2.gz BAUXKLBDLQHRIZ-LVQVYYBASA-N 2 2 326.481 1.789 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)C[C@H]1C ZINC000866412688 596880311 /nfs/dbraw/zinc/88/03/11/596880311.db2.gz BAUXKLBDLQHRIZ-LVQVYYBASA-N 2 2 326.481 1.789 20 0 EDADLP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000874127431 596936289 /nfs/dbraw/zinc/93/62/89/596936289.db2.gz DCEPAYIRQLRVGX-UHFFFAOYSA-N 2 2 344.459 1.037 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](CN3C(=O)C(C)(C)[C@@H]3C3CC3)CC2)CC1 ZINC000872731458 597049948 /nfs/dbraw/zinc/04/99/48/597049948.db2.gz GMRHFOHABMVTDO-KRWDZBQOSA-N 2 2 334.508 1.303 20 0 EDADLP CCc1nn(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=O)n1CC ZINC000872744455 597055352 /nfs/dbraw/zinc/05/53/52/597055352.db2.gz VHBKVVUBEIDQOI-UHFFFAOYSA-N 2 2 337.512 1.884 20 0 EDADLP CCc1nn(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=O)n1CC ZINC000872744455 597055356 /nfs/dbraw/zinc/05/53/56/597055356.db2.gz VHBKVVUBEIDQOI-UHFFFAOYSA-N 2 2 337.512 1.884 20 0 EDADLP Cc1ccc2n[nH]cc2c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874462778 597090226 /nfs/dbraw/zinc/09/02/26/597090226.db2.gz ZTALVOCVPPQYOG-AWEZNQCLSA-N 2 2 341.459 1.770 20 0 EDADLP Cc1ccc2n[nH]cc2c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874462778 597090227 /nfs/dbraw/zinc/09/02/27/597090227.db2.gz ZTALVOCVPPQYOG-AWEZNQCLSA-N 2 2 341.459 1.770 20 0 EDADLP C[NH+]1CCN([C@H](CNC(=O)C[NH+]2CCCC2)c2cccs2)CC1 ZINC000874466257 597091997 /nfs/dbraw/zinc/09/19/97/597091997.db2.gz JVDUICXHLURXMB-OAHLLOKOSA-N 2 2 336.505 1.249 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876204202 597134171 /nfs/dbraw/zinc/13/41/71/597134171.db2.gz KKHZWAGEWJYAJI-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876204202 597134172 /nfs/dbraw/zinc/13/41/72/597134172.db2.gz KKHZWAGEWJYAJI-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876204202 597134173 /nfs/dbraw/zinc/13/41/73/597134173.db2.gz KKHZWAGEWJYAJI-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876204202 597134174 /nfs/dbraw/zinc/13/41/74/597134174.db2.gz KKHZWAGEWJYAJI-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000876205893 597135745 /nfs/dbraw/zinc/13/57/45/597135745.db2.gz XWFKOJIDNQPKGL-SJLPKXTDSA-N 2 2 346.475 1.319 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000876205893 597135748 /nfs/dbraw/zinc/13/57/48/597135748.db2.gz XWFKOJIDNQPKGL-SJLPKXTDSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000876205893 597135752 /nfs/dbraw/zinc/13/57/52/597135752.db2.gz XWFKOJIDNQPKGL-SJLPKXTDSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000876205893 597135755 /nfs/dbraw/zinc/13/57/55/597135755.db2.gz XWFKOJIDNQPKGL-SJLPKXTDSA-N 2 2 346.475 1.319 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000874709076 597153789 /nfs/dbraw/zinc/15/37/89/597153789.db2.gz WOIRQJNBJSBZLN-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000874709076 597153791 /nfs/dbraw/zinc/15/37/91/597153791.db2.gz WOIRQJNBJSBZLN-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000874709076 597153796 /nfs/dbraw/zinc/15/37/96/597153796.db2.gz WOIRQJNBJSBZLN-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000874709076 597153797 /nfs/dbraw/zinc/15/37/97/597153797.db2.gz WOIRQJNBJSBZLN-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP CCOC(=O)[C@@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)C1CCOCC1 ZINC000873210431 597228890 /nfs/dbraw/zinc/22/88/90/597228890.db2.gz GAHDIIYBDUHPSC-INIZCTEOSA-N 2 2 338.473 1.842 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-n3cncn3)c(F)c2)C[C@@H]1C(F)(F)F ZINC000873227061 597233800 /nfs/dbraw/zinc/23/38/00/597233800.db2.gz GDJWBLICMZKJCO-RYUDHWBXSA-N 2 2 343.328 1.975 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)C[C@@H]1C(F)(F)F ZINC000873227061 597233801 /nfs/dbraw/zinc/23/38/01/597233801.db2.gz GDJWBLICMZKJCO-RYUDHWBXSA-N 2 2 343.328 1.975 20 0 EDADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000873227761 597234331 /nfs/dbraw/zinc/23/43/31/597234331.db2.gz NEOWAMOYQLWSDD-PMPSAXMXSA-N 2 2 325.497 1.506 20 0 EDADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000873227761 597234333 /nfs/dbraw/zinc/23/43/33/597234333.db2.gz NEOWAMOYQLWSDD-PMPSAXMXSA-N 2 2 325.497 1.506 20 0 EDADLP c1c[nH]c([C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2cccnc2)n1 ZINC000873290654 597249423 /nfs/dbraw/zinc/24/94/23/597249423.db2.gz BEEYRGRTONWONP-CVEARBPZSA-N 2 2 327.432 1.642 20 0 EDADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccc2[nH+]ccn2c1 ZINC000873310380 597252819 /nfs/dbraw/zinc/25/28/19/597252819.db2.gz ULSOEIKCLLTSDI-CQSZACIVSA-N 2 2 329.404 1.615 20 0 EDADLP Cn1ccsc1=NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876706519 597295726 /nfs/dbraw/zinc/29/57/26/597295726.db2.gz VZTSQEPNWLXSRY-UHFFFAOYSA-N 2 2 344.484 1.898 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000876709988 597297942 /nfs/dbraw/zinc/29/79/42/597297942.db2.gz CHTTVWIKIPCYBC-UFRCPPPVSA-N 2 2 343.471 1.621 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841997 597355925 /nfs/dbraw/zinc/35/59/25/597355925.db2.gz WLPJHMBASYLRTQ-TZMCWYRMSA-N 2 2 330.354 1.979 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248141 597478389 /nfs/dbraw/zinc/47/83/89/597478389.db2.gz GUGJPAYFVBJPFM-NXHRZFHOSA-N 2 2 333.476 1.685 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000877248141 597478390 /nfs/dbraw/zinc/47/83/90/597478390.db2.gz GUGJPAYFVBJPFM-NXHRZFHOSA-N 2 2 333.476 1.685 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[NH+]2CCCC2)CC1 ZINC000873983717 597478778 /nfs/dbraw/zinc/47/87/78/597478778.db2.gz OLXRFCDSIIHEPJ-UHFFFAOYSA-N 2 2 330.432 1.109 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877651934 597544964 /nfs/dbraw/zinc/54/49/64/597544964.db2.gz OJNLSAFLPPVCDN-ZDUSSCGKSA-N 2 2 336.823 1.911 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877651934 597544965 /nfs/dbraw/zinc/54/49/65/597544965.db2.gz OJNLSAFLPPVCDN-ZDUSSCGKSA-N 2 2 336.823 1.911 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)s1 ZINC000877665804 597546292 /nfs/dbraw/zinc/54/62/92/597546292.db2.gz JPXOCJYSNNNIMR-HZPDHXFCSA-N 2 2 333.457 1.829 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)s1 ZINC000877665804 597546293 /nfs/dbraw/zinc/54/62/93/597546293.db2.gz JPXOCJYSNNNIMR-HZPDHXFCSA-N 2 2 333.457 1.829 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744589 597552316 /nfs/dbraw/zinc/55/23/16/597552316.db2.gz VSSYPZBAMXHNAU-RDJZCZTQSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744589 597552317 /nfs/dbraw/zinc/55/23/17/597552317.db2.gz VSSYPZBAMXHNAU-RDJZCZTQSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744589 597552318 /nfs/dbraw/zinc/55/23/18/597552318.db2.gz VSSYPZBAMXHNAU-RDJZCZTQSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744589 597552319 /nfs/dbraw/zinc/55/23/19/597552319.db2.gz VSSYPZBAMXHNAU-RDJZCZTQSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743598 597552390 /nfs/dbraw/zinc/55/23/90/597552390.db2.gz WYNBLEMDHOLCPQ-FUHWJXTLSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877743598 597552391 /nfs/dbraw/zinc/55/23/91/597552391.db2.gz WYNBLEMDHOLCPQ-FUHWJXTLSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877743598 597552392 /nfs/dbraw/zinc/55/23/92/597552392.db2.gz WYNBLEMDHOLCPQ-FUHWJXTLSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877743598 597552393 /nfs/dbraw/zinc/55/23/93/597552393.db2.gz WYNBLEMDHOLCPQ-FUHWJXTLSA-N 2 2 348.491 1.978 20 0 EDADLP O[C@@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)CC1(O)CCOCC1 ZINC000878320863 597595241 /nfs/dbraw/zinc/59/52/41/597595241.db2.gz KLXQMSZGSJSIKC-MRXNPFEDSA-N 2 2 335.448 1.250 20 0 EDADLP CC(C)COC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccco1 ZINC000878409141 597600227 /nfs/dbraw/zinc/60/02/27/597600227.db2.gz ZTTDVYRSMFUVOH-INIZCTEOSA-N 2 2 337.464 1.793 20 0 EDADLP C([C@H]1CC2(CO1)CCOCC2)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878552160 597633002 /nfs/dbraw/zinc/63/30/02/597633002.db2.gz MKOVQEHYRANAIY-ZWKOTPCHSA-N 2 2 338.492 1.759 20 0 EDADLP C([C@H]1CC2(CO1)CCOCC2)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000878552160 597633003 /nfs/dbraw/zinc/63/30/03/597633003.db2.gz MKOVQEHYRANAIY-ZWKOTPCHSA-N 2 2 338.492 1.759 20 0 EDADLP COCC[N@@H+](Cc1nc([C@@H](C)OC)no1)CC1CC[NH+](C)CC1 ZINC000879125311 597826875 /nfs/dbraw/zinc/82/68/75/597826875.db2.gz YDTHRYUOOWXCHL-CYBMUJFWSA-N 2 2 326.441 1.567 20 0 EDADLP COCC[N@H+](Cc1nc([C@@H](C)OC)no1)CC1CC[NH+](C)CC1 ZINC000879125311 597826878 /nfs/dbraw/zinc/82/68/78/597826878.db2.gz YDTHRYUOOWXCHL-CYBMUJFWSA-N 2 2 326.441 1.567 20 0 EDADLP CCOC(=O)c1noc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)n1 ZINC000879126594 597827517 /nfs/dbraw/zinc/82/75/17/597827517.db2.gz KPJPOXNMBZBBEO-UHFFFAOYSA-N 2 2 340.424 1.037 20 0 EDADLP CCOC(=O)c1noc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)n1 ZINC000879126594 597827519 /nfs/dbraw/zinc/82/75/19/597827519.db2.gz KPJPOXNMBZBBEO-UHFFFAOYSA-N 2 2 340.424 1.037 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880131398 597849577 /nfs/dbraw/zinc/84/95/77/597849577.db2.gz KOKITEXZRKEZLR-FGTMMUONSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880131398 597849578 /nfs/dbraw/zinc/84/95/78/597849578.db2.gz KOKITEXZRKEZLR-FGTMMUONSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880131398 597849579 /nfs/dbraw/zinc/84/95/79/597849579.db2.gz KOKITEXZRKEZLR-FGTMMUONSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880131398 597849580 /nfs/dbraw/zinc/84/95/80/597849580.db2.gz KOKITEXZRKEZLR-FGTMMUONSA-N 2 2 334.460 1.741 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000880327798 597902137 /nfs/dbraw/zinc/90/21/37/597902137.db2.gz NHKJMZYYNWFJRA-YTQUADARSA-N 2 2 349.519 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000880327798 597902139 /nfs/dbraw/zinc/90/21/39/597902139.db2.gz NHKJMZYYNWFJRA-YTQUADARSA-N 2 2 349.519 1.820 20 0 EDADLP O[C@H](C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)CC1(O)CCOCC1 ZINC000880569727 597967035 /nfs/dbraw/zinc/96/70/35/597967035.db2.gz JERBOOKGCSBDDL-ZWKOTPCHSA-N 2 2 345.443 1.507 20 0 EDADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884164047 598011791 /nfs/dbraw/zinc/01/17/91/598011791.db2.gz WLLLHWJNPCPKCF-OSBBLCOHSA-N 2 2 334.508 1.746 20 0 EDADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884164047 598011793 /nfs/dbraw/zinc/01/17/93/598011793.db2.gz WLLLHWJNPCPKCF-OSBBLCOHSA-N 2 2 334.508 1.746 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c[nH+]1 ZINC000884340151 598075002 /nfs/dbraw/zinc/07/50/02/598075002.db2.gz DMXRSMGBZLTULS-HOTGVXAUSA-N 2 2 334.464 1.672 20 0 EDADLP CC[NH+]1CCN(CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000882873402 598090602 /nfs/dbraw/zinc/09/06/02/598090602.db2.gz ZKDOJQYKFUBERH-SFHVURJKSA-N 2 2 341.459 1.378 20 0 EDADLP CC[NH+]1CCN(CC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000882873401 598090875 /nfs/dbraw/zinc/09/08/75/598090875.db2.gz ZKDOJQYKFUBERH-GOSISDBHSA-N 2 2 341.459 1.378 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000914082352 695079852 /nfs/dbraw/zinc/07/98/52/695079852.db2.gz DATHQVFLQDHFRR-RDJZCZTQSA-N 2 2 349.479 1.094 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914153425 695164132 /nfs/dbraw/zinc/16/41/32/695164132.db2.gz AVVNVBHFFHLVGT-CABCVRRESA-N 2 2 349.504 1.763 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914153425 695164133 /nfs/dbraw/zinc/16/41/33/695164133.db2.gz AVVNVBHFFHLVGT-CABCVRRESA-N 2 2 349.504 1.763 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000914248916 695310520 /nfs/dbraw/zinc/31/05/20/695310520.db2.gz ZLOMJWCOFZRWIZ-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC(CC(=O)NC2C[NH+](CCOc3ccccc3)C2)CC1 ZINC001031052493 695389931 /nfs/dbraw/zinc/38/99/31/695389931.db2.gz JLUMAJYXLWPIMS-UHFFFAOYSA-N 2 2 331.460 1.598 20 0 EDADLP Cc1cc(C)n(CC[NH+]2CC(NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001031053107 695394080 /nfs/dbraw/zinc/39/40/80/695394080.db2.gz WGXKOHJIWQEGKM-UHFFFAOYSA-N 2 2 333.480 1.032 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)o1 ZINC000992856547 695416978 /nfs/dbraw/zinc/41/69/78/695416978.db2.gz IZGKAYVMOYHVLX-SOUVJXGZSA-N 2 2 343.431 1.666 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939855342 699993385 /nfs/dbraw/zinc/99/33/85/699993385.db2.gz DUSCYHNQEORCKW-NHYWBVRUSA-N 2 2 333.461 1.593 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992860795 695418945 /nfs/dbraw/zinc/41/89/45/695418945.db2.gz OCZUVOBLTQQPFQ-CFVMTHIKSA-N 2 2 329.404 1.357 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cscn3)[C@H]2C1 ZINC000992878854 695427248 /nfs/dbraw/zinc/42/72/48/695427248.db2.gz STLSPQOXUDKSIZ-AEGPPILISA-N 2 2 345.472 1.826 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnns3)[C@H]2C1 ZINC000992927585 695458136 /nfs/dbraw/zinc/45/81/36/695458136.db2.gz XTOCASQBUKVIHW-QEJZJMRPSA-N 2 2 346.460 1.152 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N[C@H](CC)C[NH+]2CCOCC2)CC1 ZINC000915712058 695976245 /nfs/dbraw/zinc/97/62/45/695976245.db2.gz OYBFYGLNQOTRCR-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CCC[N@@H+]1CCCO ZINC000993329858 695984689 /nfs/dbraw/zinc/98/46/89/695984689.db2.gz CQHUHVCKJFPCFV-GDBMZVCRSA-N 2 2 334.464 1.113 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CCC[N@H+]1CCCO ZINC000993329858 695984691 /nfs/dbraw/zinc/98/46/91/695984691.db2.gz CQHUHVCKJFPCFV-GDBMZVCRSA-N 2 2 334.464 1.113 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2ccns2)[C@@H]1C ZINC000993611815 696258396 /nfs/dbraw/zinc/25/83/96/696258396.db2.gz HZDUOGXODSRULS-HIFRSBDPSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccns2)[C@@H]1C ZINC000993611815 696258397 /nfs/dbraw/zinc/25/83/97/696258397.db2.gz HZDUOGXODSRULS-HIFRSBDPSA-N 2 2 333.461 1.817 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC[N@@H+]1CCO ZINC000993620935 696263212 /nfs/dbraw/zinc/26/32/12/696263212.db2.gz DDZKOXKVCIFDNC-PBHICJAKSA-N 2 2 328.416 1.447 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC[N@H+]1CCO ZINC000993620935 696263213 /nfs/dbraw/zinc/26/32/13/696263213.db2.gz DDZKOXKVCIFDNC-PBHICJAKSA-N 2 2 328.416 1.447 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccn(C)n1 ZINC000993765788 696362831 /nfs/dbraw/zinc/36/28/31/696362831.db2.gz WCZNZVPXZTWNET-PBHICJAKSA-N 2 2 333.480 1.231 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccn(C)n1 ZINC000993765788 696362834 /nfs/dbraw/zinc/36/28/34/696362834.db2.gz WCZNZVPXZTWNET-PBHICJAKSA-N 2 2 333.480 1.231 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3cnn(C)c3)[C@@H]2C)CC1 ZINC000994050480 696506986 /nfs/dbraw/zinc/50/69/86/696506986.db2.gz IVGYTUAGGMRQDM-AEFFLSMTSA-N 2 2 347.507 1.621 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3cnn(C)c3)[C@@H]2C)CC1 ZINC000994050480 696506987 /nfs/dbraw/zinc/50/69/87/696506987.db2.gz IVGYTUAGGMRQDM-AEFFLSMTSA-N 2 2 347.507 1.621 20 0 EDADLP COc1nccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)n1 ZINC000994402768 696825164 /nfs/dbraw/zinc/82/51/64/696825164.db2.gz BFXZMOKRBJBAPV-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)n1 ZINC000994402768 696825167 /nfs/dbraw/zinc/82/51/67/696825167.db2.gz BFXZMOKRBJBAPV-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP Cc1nc(CC[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)cs1 ZINC000994512254 696955837 /nfs/dbraw/zinc/95/58/37/696955837.db2.gz XIUMIVJZJKBHRW-XJKSGUPXSA-N 2 2 347.488 1.860 20 0 EDADLP Cc1nc(CC[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)cs1 ZINC000994512254 696955838 /nfs/dbraw/zinc/95/58/38/696955838.db2.gz XIUMIVJZJKBHRW-XJKSGUPXSA-N 2 2 347.488 1.860 20 0 EDADLP O=C(C[NH+]1CCCC1)NC1C[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC001031391011 697012725 /nfs/dbraw/zinc/01/27/25/697012725.db2.gz ZOQNCRNMQKMCFT-UHFFFAOYSA-N 2 2 329.444 1.060 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)o1 ZINC000943177757 697873518 /nfs/dbraw/zinc/87/35/18/697873518.db2.gz PMMLNFXNQHNFRM-WFASDCNBSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)o1 ZINC000943177757 697873525 /nfs/dbraw/zinc/87/35/25/697873525.db2.gz PMMLNFXNQHNFRM-WFASDCNBSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000995036537 700188359 /nfs/dbraw/zinc/18/83/59/700188359.db2.gz LBQXCPGNPAPXQC-KGLIPLIRSA-N 2 2 346.435 1.212 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943252664 698012818 /nfs/dbraw/zinc/01/28/18/698012818.db2.gz BULLQQHXKCLSSS-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000943252664 698012821 /nfs/dbraw/zinc/01/28/21/698012821.db2.gz BULLQQHXKCLSSS-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943514454 698428224 /nfs/dbraw/zinc/42/82/24/698428224.db2.gz CPMXMOCIXSXQOI-RDJZCZTQSA-N 2 2 344.459 1.658 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000943514454 698428227 /nfs/dbraw/zinc/42/82/27/698428227.db2.gz CPMXMOCIXSXQOI-RDJZCZTQSA-N 2 2 344.459 1.658 20 0 EDADLP C[C@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767734 698869574 /nfs/dbraw/zinc/86/95/74/698869574.db2.gz YIWUCAVMMQKKNZ-AAEUAGOBSA-N 2 2 326.391 1.824 20 0 EDADLP C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767734 698869577 /nfs/dbraw/zinc/86/95/77/698869577.db2.gz YIWUCAVMMQKKNZ-AAEUAGOBSA-N 2 2 326.391 1.824 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766077 699055640 /nfs/dbraw/zinc/05/56/40/699055640.db2.gz ATISBLOJQWMANL-CABCVRRESA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766077 699055642 /nfs/dbraw/zinc/05/56/42/699055642.db2.gz ATISBLOJQWMANL-CABCVRRESA-N 2 2 349.504 1.411 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1C ZINC000995157818 701565379 /nfs/dbraw/zinc/56/53/79/701565379.db2.gz ZYCZLMFGAVUWMV-UONOGXRCSA-N 2 2 330.436 1.069 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031779495 699183249 /nfs/dbraw/zinc/18/32/49/699183249.db2.gz SMXCIPJVVSVTCG-DOTOQJQBSA-N 2 2 346.475 1.310 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995159384 701572132 /nfs/dbraw/zinc/57/21/32/701572132.db2.gz ISUAJPIQGILJNB-HUUCEWRRSA-N 2 2 342.447 1.136 20 0 EDADLP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001031784399 699216226 /nfs/dbraw/zinc/21/62/26/699216226.db2.gz QPXGHJUCCKXHIE-HOTGVXAUSA-N 2 2 346.475 1.309 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939134000 699219231 /nfs/dbraw/zinc/21/92/31/699219231.db2.gz VRUZHBBECRVCKE-GXTWGEPZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939134000 699219232 /nfs/dbraw/zinc/21/92/32/699219232.db2.gz VRUZHBBECRVCKE-GXTWGEPZSA-N 2 2 335.452 1.046 20 0 EDADLP COc1ccc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1 ZINC000939210808 699358710 /nfs/dbraw/zinc/35/87/10/699358710.db2.gz PVAJWFGKBBSYIM-KDOFPFPSSA-N 2 2 342.443 1.640 20 0 EDADLP COCc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c1 ZINC000939211647 699360126 /nfs/dbraw/zinc/36/01/26/699360126.db2.gz UHXKIWMVEAZFJV-RDTXWAMCSA-N 2 2 342.443 1.735 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC000939212016 699360953 /nfs/dbraw/zinc/36/09/53/699360953.db2.gz WJERAEBSYFJDQF-CJNGLKHVSA-N 2 2 330.436 1.366 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001031806797 699413928 /nfs/dbraw/zinc/41/39/28/699413928.db2.gz PGWLKJYWYJNWDP-INIZCTEOSA-N 2 2 336.505 1.812 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001031806797 699413931 /nfs/dbraw/zinc/41/39/31/699413931.db2.gz PGWLKJYWYJNWDP-INIZCTEOSA-N 2 2 336.505 1.812 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000939409146 699563376 /nfs/dbraw/zinc/56/33/76/699563376.db2.gz SBTPBWOODIYJGL-ONGXEEELSA-N 2 2 339.852 1.699 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000939412969 699566280 /nfs/dbraw/zinc/56/62/80/699566280.db2.gz IEWCCIJIYAWDBI-RISCZKNCSA-N 2 2 334.370 1.867 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)sn1 ZINC000939533966 699672088 /nfs/dbraw/zinc/67/20/88/699672088.db2.gz HFUMUQYCUVEJCX-IAQYHMDHSA-N 2 2 333.461 1.364 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)c(C)s1 ZINC000939535627 699676467 /nfs/dbraw/zinc/67/64/67/699676467.db2.gz RALWYXZFSOPLPY-MEDUHNTESA-N 2 2 347.488 1.673 20 0 EDADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939537348 699678234 /nfs/dbraw/zinc/67/82/34/699678234.db2.gz ZOMHMNBTXAFEAR-SMDDNHRTSA-N 2 2 349.460 1.064 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000939540842 699681900 /nfs/dbraw/zinc/68/19/00/699681900.db2.gz JWAXMSABXOZMDF-ZFWWWQNUSA-N 2 2 344.463 1.100 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1cnns1 ZINC000939550143 699699289 /nfs/dbraw/zinc/69/92/89/699699289.db2.gz GTMZJHYRPNJSSG-RISCZKNCSA-N 2 2 346.460 1.249 20 0 EDADLP Cc1conc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939641484 699770905 /nfs/dbraw/zinc/77/09/05/699770905.db2.gz DVTULSJLAVWWBX-LRDDRELGSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939642358 699771844 /nfs/dbraw/zinc/77/18/44/699771844.db2.gz JLZNCOBVRYGDDN-SUMWQHHRSA-N 2 2 344.463 1.031 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)o1 ZINC000939642394 699771853 /nfs/dbraw/zinc/77/18/53/699771853.db2.gz JXKCBDPABOOFEA-WBMJQRKESA-N 2 2 331.420 1.286 20 0 EDADLP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2noc(C3CC3)n2)CC1)[NH+](C)C ZINC000940176986 700310197 /nfs/dbraw/zinc/31/01/97/700310197.db2.gz UAWDHERJCYEHDL-CQSZACIVSA-N 2 2 349.479 1.758 20 0 EDADLP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000940182503 700339962 /nfs/dbraw/zinc/33/99/62/700339962.db2.gz JHQSAYKLCHWLTF-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H]1CC[C@H](C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC000940243485 700404590 /nfs/dbraw/zinc/40/45/90/700404590.db2.gz RLDFOYKIYOPUQC-JKSUJKDBSA-N 2 2 334.464 1.811 20 0 EDADLP CC1([NH2+]Cc2cncs2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243400 700404845 /nfs/dbraw/zinc/40/48/45/700404845.db2.gz NFMKMYSUWGRTFY-UHFFFAOYSA-N 2 2 333.461 1.901 20 0 EDADLP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940356337 700518183 /nfs/dbraw/zinc/51/81/83/700518183.db2.gz NWOKTEDDLJFCLR-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940441421 700642679 /nfs/dbraw/zinc/64/26/79/700642679.db2.gz HUKYEZGRHAJHJG-UHFFFAOYSA-N 2 2 334.449 1.283 20 0 EDADLP Cc1ncsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995168896 701667470 /nfs/dbraw/zinc/66/74/70/701667470.db2.gz OEMLAPLKWBENNT-KBPBESRZSA-N 2 2 347.488 1.802 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccns2)CC1(C)C ZINC000940624813 700786252 /nfs/dbraw/zinc/78/62/52/700786252.db2.gz KCUBJUVNTLYLPY-LSDHHAIUSA-N 2 2 336.505 1.954 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccns2)CC1(C)C ZINC000940624813 700786253 /nfs/dbraw/zinc/78/62/53/700786253.db2.gz KCUBJUVNTLYLPY-LSDHHAIUSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccns2)CC1(C)C ZINC000940624813 700786254 /nfs/dbraw/zinc/78/62/54/700786254.db2.gz KCUBJUVNTLYLPY-LSDHHAIUSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)CC1(C)C ZINC000940624813 700786256 /nfs/dbraw/zinc/78/62/56/700786256.db2.gz KCUBJUVNTLYLPY-LSDHHAIUSA-N 2 2 336.505 1.954 20 0 EDADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842268 700938217 /nfs/dbraw/zinc/93/82/17/700938217.db2.gz BVNCLZTUVBRVMR-CVEARBPZSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842268 700938219 /nfs/dbraw/zinc/93/82/19/700938219.db2.gz BVNCLZTUVBRVMR-CVEARBPZSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1nncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842268 700938221 /nfs/dbraw/zinc/93/82/21/700938221.db2.gz BVNCLZTUVBRVMR-CVEARBPZSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1nncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842268 700938223 /nfs/dbraw/zinc/93/82/23/700938223.db2.gz BVNCLZTUVBRVMR-CVEARBPZSA-N 2 2 348.495 1.016 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC000940842594 700938670 /nfs/dbraw/zinc/93/86/70/700938670.db2.gz JZWAGMDCSLHCIQ-HZPDHXFCSA-N 2 2 334.464 1.876 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC000940842594 700938671 /nfs/dbraw/zinc/93/86/71/700938671.db2.gz JZWAGMDCSLHCIQ-HZPDHXFCSA-N 2 2 334.464 1.876 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC000940842594 700938672 /nfs/dbraw/zinc/93/86/72/700938672.db2.gz JZWAGMDCSLHCIQ-HZPDHXFCSA-N 2 2 334.464 1.876 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC000940842594 700938673 /nfs/dbraw/zinc/93/86/73/700938673.db2.gz JZWAGMDCSLHCIQ-HZPDHXFCSA-N 2 2 334.464 1.876 20 0 EDADLP Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842907 700939198 /nfs/dbraw/zinc/93/91/98/700939198.db2.gz RNVHRLWRCKPVHM-SJORKVTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1cncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842907 700939200 /nfs/dbraw/zinc/93/92/00/700939200.db2.gz RNVHRLWRCKPVHM-SJORKVTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1cncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842907 700939201 /nfs/dbraw/zinc/93/92/01/700939201.db2.gz RNVHRLWRCKPVHM-SJORKVTESA-N 2 2 347.507 1.621 20 0 EDADLP Cn1cncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842907 700939202 /nfs/dbraw/zinc/93/92/02/700939202.db2.gz RNVHRLWRCKPVHM-SJORKVTESA-N 2 2 347.507 1.621 20 0 EDADLP CC1(C)C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000940865080 700947092 /nfs/dbraw/zinc/94/70/92/700947092.db2.gz RVTUWFVHSCOBQT-HNNXBMFYSA-N 2 2 347.463 1.415 20 0 EDADLP CC1(C)C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000940865080 700947094 /nfs/dbraw/zinc/94/70/94/700947094.db2.gz RVTUWFVHSCOBQT-HNNXBMFYSA-N 2 2 347.463 1.415 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002835 701036595 /nfs/dbraw/zinc/03/65/95/701036595.db2.gz NTERTBQQXLEBMK-MRXNPFEDSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002835 701036596 /nfs/dbraw/zinc/03/65/96/701036596.db2.gz NTERTBQQXLEBMK-MRXNPFEDSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)n1 ZINC000941002777 701036671 /nfs/dbraw/zinc/03/66/71/701036671.db2.gz NLLOZUHKGXTYIX-HNNXBMFYSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)n1 ZINC000941002777 701036673 /nfs/dbraw/zinc/03/66/73/701036673.db2.gz NLLOZUHKGXTYIX-HNNXBMFYSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C(C)(C)C2)n1 ZINC000941027560 701067660 /nfs/dbraw/zinc/06/76/60/701067660.db2.gz VYSSYEBMXXCNGN-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C(C)(C)C2)n1 ZINC000941027560 701067662 /nfs/dbraw/zinc/06/76/62/701067662.db2.gz VYSSYEBMXXCNGN-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C(C)(C)C2)n1 ZINC000941027560 701067664 /nfs/dbraw/zinc/06/76/64/701067664.db2.gz VYSSYEBMXXCNGN-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C(C)(C)C2)n1 ZINC000941027560 701067667 /nfs/dbraw/zinc/06/76/67/701067667.db2.gz VYSSYEBMXXCNGN-ZFWWWQNUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031931734 701371436 /nfs/dbraw/zinc/37/14/36/701371436.db2.gz NBZZDLBMDVJZCP-HNNXBMFYSA-N 2 2 343.431 1.299 20 0 EDADLP Cc1noc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941214925 701401318 /nfs/dbraw/zinc/40/13/18/701401318.db2.gz HDLDORQOXZFCHH-UKRRQHHQSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1noc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941214925 701401320 /nfs/dbraw/zinc/40/13/20/701401320.db2.gz HDLDORQOXZFCHH-UKRRQHHQSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941216206 701402472 /nfs/dbraw/zinc/40/24/72/701402472.db2.gz DAGYUFUFUWVDOU-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941216206 701402474 /nfs/dbraw/zinc/40/24/74/701402474.db2.gz DAGYUFUFUWVDOU-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941216206 701402475 /nfs/dbraw/zinc/40/24/75/701402475.db2.gz DAGYUFUFUWVDOU-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941216206 701402476 /nfs/dbraw/zinc/40/24/76/701402476.db2.gz DAGYUFUFUWVDOU-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941221560 701412629 /nfs/dbraw/zinc/41/26/29/701412629.db2.gz XFBBQYBOOYJMHB-UONOGXRCSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941221560 701412630 /nfs/dbraw/zinc/41/26/30/701412630.db2.gz XFBBQYBOOYJMHB-UONOGXRCSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941221560 701412631 /nfs/dbraw/zinc/41/26/31/701412631.db2.gz XFBBQYBOOYJMHB-UONOGXRCSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941221560 701412632 /nfs/dbraw/zinc/41/26/32/701412632.db2.gz XFBBQYBOOYJMHB-UONOGXRCSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223936 701414237 /nfs/dbraw/zinc/41/42/37/701414237.db2.gz ODMJSVSPMLIPCJ-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223936 701414238 /nfs/dbraw/zinc/41/42/38/701414238.db2.gz ODMJSVSPMLIPCJ-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP CC1(C)C[N@H+](C[C@@H]2CCCCO2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247170 701423832 /nfs/dbraw/zinc/42/38/32/701423832.db2.gz FFCXKUXCFMZWJE-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)C[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247170 701423834 /nfs/dbraw/zinc/42/38/34/701423834.db2.gz FFCXKUXCFMZWJE-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)C[N@H+](Cc2ccns2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247943 701424396 /nfs/dbraw/zinc/42/43/96/701424396.db2.gz SQEHRGUAPCADSB-AWEZNQCLSA-N 2 2 333.461 1.757 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccns2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247943 701424397 /nfs/dbraw/zinc/42/43/97/701424397.db2.gz SQEHRGUAPCADSB-AWEZNQCLSA-N 2 2 333.461 1.757 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)o1 ZINC000941248324 701424869 /nfs/dbraw/zinc/42/48/69/701424869.db2.gz WLOPPWHSHSVROS-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)o1 ZINC000941248324 701424870 /nfs/dbraw/zinc/42/48/70/701424870.db2.gz WLOPPWHSHSVROS-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP CC(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999174714 706606455 /nfs/dbraw/zinc/60/64/55/706606455.db2.gz GNZAUCUWHIBZTD-DAWZGUTISA-N 2 2 337.508 1.722 20 0 EDADLP CC(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999174714 706606457 /nfs/dbraw/zinc/60/64/57/706606457.db2.gz GNZAUCUWHIBZTD-DAWZGUTISA-N 2 2 337.508 1.722 20 0 EDADLP O=C(NCC1C[NH+](Cc2cc(O)ccc2Cl)C1)C12CC[NH+](CC1)C2 ZINC001032130496 701844365 /nfs/dbraw/zinc/84/43/65/701844365.db2.gz SKZMLHMROCASMQ-UHFFFAOYSA-N 2 2 349.862 1.689 20 0 EDADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032652434 706622890 /nfs/dbraw/zinc/62/28/90/706622890.db2.gz RJPNPVRHUVYXKN-IRXDYDNUSA-N 2 2 339.443 1.504 20 0 EDADLP CN(C)c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032652434 706622892 /nfs/dbraw/zinc/62/28/92/706622892.db2.gz RJPNPVRHUVYXKN-IRXDYDNUSA-N 2 2 339.443 1.504 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944441856 702021951 /nfs/dbraw/zinc/02/19/51/702021951.db2.gz BBRANXJFESXUBC-BXUZGUMPSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944441856 702021959 /nfs/dbraw/zinc/02/19/59/702021959.db2.gz BBRANXJFESXUBC-BXUZGUMPSA-N 2 2 331.420 1.584 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995825596 702096670 /nfs/dbraw/zinc/09/66/70/702096670.db2.gz OETFJOLEHMCTMS-MRVWCRGKSA-N 2 2 337.493 1.205 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)CC[N@H+]1C ZINC000995825596 702096675 /nfs/dbraw/zinc/09/66/75/702096675.db2.gz OETFJOLEHMCTMS-MRVWCRGKSA-N 2 2 337.493 1.205 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001032206377 702145931 /nfs/dbraw/zinc/14/59/31/702145931.db2.gz YPUHRGADPZVZQL-KRWDZBQOSA-N 2 2 331.464 1.207 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)nc2)C1 ZINC001032206377 702145933 /nfs/dbraw/zinc/14/59/33/702145933.db2.gz YPUHRGADPZVZQL-KRWDZBQOSA-N 2 2 331.464 1.207 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3sccc3Cl)C2)C1 ZINC001032182194 702189011 /nfs/dbraw/zinc/18/90/11/702189011.db2.gz GNIMFMTXZCNVMY-LBPRGKRZSA-N 2 2 327.881 1.901 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3sccc3Cl)C2)C1 ZINC001032182194 702189016 /nfs/dbraw/zinc/18/90/16/702189016.db2.gz GNIMFMTXZCNVMY-LBPRGKRZSA-N 2 2 327.881 1.901 20 0 EDADLP C[C@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944101166 702214070 /nfs/dbraw/zinc/21/40/70/702214070.db2.gz VXRGPZRCFCJRQV-SWLSCSKDSA-N 2 2 340.418 1.835 20 0 EDADLP C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944101166 702214075 /nfs/dbraw/zinc/21/40/75/702214075.db2.gz VXRGPZRCFCJRQV-SWLSCSKDSA-N 2 2 340.418 1.835 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)n1 ZINC000995924756 702250960 /nfs/dbraw/zinc/25/09/60/702250960.db2.gz JTEWQHXORQIMQX-HIFRSBDPSA-N 2 2 337.468 1.291 20 0 EDADLP C[C@H]1C[N@H+](CCC(F)(F)F)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097068 702261124 /nfs/dbraw/zinc/26/11/24/702261124.db2.gz CUUCPWSBFXQSMT-WCQYABFASA-N 2 2 332.370 1.742 20 0 EDADLP C[C@H]1C[N@@H+](CCC(F)(F)F)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097068 702261127 /nfs/dbraw/zinc/26/11/27/702261127.db2.gz CUUCPWSBFXQSMT-WCQYABFASA-N 2 2 332.370 1.742 20 0 EDADLP Cc1ccncc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944099165 702269154 /nfs/dbraw/zinc/26/91/54/702269154.db2.gz OZNSBTOYXKSPOI-YJBOKZPZSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1ccncc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944099165 702269159 /nfs/dbraw/zinc/26/91/59/702269159.db2.gz OZNSBTOYXKSPOI-YJBOKZPZSA-N 2 2 341.459 1.693 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944120059 702283920 /nfs/dbraw/zinc/28/39/20/702283920.db2.gz DMLJTDUFQUSDLP-GOEBONIOSA-N 2 2 343.431 1.354 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](C)C1 ZINC000944120059 702283923 /nfs/dbraw/zinc/28/39/23/702283923.db2.gz DMLJTDUFQUSDLP-GOEBONIOSA-N 2 2 343.431 1.354 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)CC2(C)C)o1 ZINC000995945282 702291615 /nfs/dbraw/zinc/29/16/15/702291615.db2.gz FKKNPUYCBPMJOJ-CHWSQXEVSA-N 2 2 337.468 1.299 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995964750 702310348 /nfs/dbraw/zinc/31/03/48/702310348.db2.gz BXRDFLBHCOIZFT-LSDHHAIUSA-N 2 2 331.464 1.288 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995964750 702310354 /nfs/dbraw/zinc/31/03/54/702310354.db2.gz BXRDFLBHCOIZFT-LSDHHAIUSA-N 2 2 331.464 1.288 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995981821 702341358 /nfs/dbraw/zinc/34/13/58/702341358.db2.gz NXDLBQCCCZDZCK-HUUCEWRRSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)o1 ZINC000995981821 702341367 /nfs/dbraw/zinc/34/13/67/702341367.db2.gz NXDLBQCCCZDZCK-HUUCEWRRSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000996042187 702458310 /nfs/dbraw/zinc/45/83/10/702458310.db2.gz KLQTVGWOHJWBDF-AWEZNQCLSA-N 2 2 328.420 1.008 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942053289 702484152 /nfs/dbraw/zinc/48/41/52/702484152.db2.gz MYWFETDVMOHPBG-CZUORRHYSA-N 2 2 330.432 1.729 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](C)C1 ZINC000942053289 702484155 /nfs/dbraw/zinc/48/41/55/702484155.db2.gz MYWFETDVMOHPBG-CZUORRHYSA-N 2 2 330.432 1.729 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC000995550021 702543910 /nfs/dbraw/zinc/54/39/10/702543910.db2.gz HBJJRHXCCJHLJD-KBPBESRZSA-N 2 2 347.463 1.368 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC000995550021 702543914 /nfs/dbraw/zinc/54/39/14/702543914.db2.gz HBJJRHXCCJHLJD-KBPBESRZSA-N 2 2 347.463 1.368 20 0 EDADLP C[C@@H]1C[N@H+](C/C=C\Cl)CC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942210047 702716058 /nfs/dbraw/zinc/71/60/58/702716058.db2.gz XMQLEOKFGSTQKP-UDGJJRABSA-N 2 2 340.855 1.929 20 0 EDADLP C[C@@H]1C[N@@H+](C/C=C\Cl)CC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942210047 702716059 /nfs/dbraw/zinc/71/60/59/702716059.db2.gz XMQLEOKFGSTQKP-UDGJJRABSA-N 2 2 340.855 1.929 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000996353711 702731920 /nfs/dbraw/zinc/73/19/20/702731920.db2.gz CTDWRCFXNKDHNS-MRXNPFEDSA-N 2 2 342.447 1.122 20 0 EDADLP CC1CC[NH+](CC(=O)N2C[C@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC1 ZINC000996450677 702796086 /nfs/dbraw/zinc/79/60/86/702796086.db2.gz XIQYVELOGJMLLS-INIZCTEOSA-N 2 2 345.491 1.535 20 0 EDADLP CCc1nocc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996513199 702832308 /nfs/dbraw/zinc/83/23/08/702832308.db2.gz GXWXTKXTAFZMLM-INIZCTEOSA-N 2 2 345.447 1.540 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)sn1 ZINC000996515396 702851131 /nfs/dbraw/zinc/85/11/31/702851131.db2.gz RMXTXIKKHNLCOA-OAHLLOKOSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996515542 702851241 /nfs/dbraw/zinc/85/12/41/702851241.db2.gz SCBJBMDAEPLYNH-INIZCTEOSA-N 2 2 344.463 1.031 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)n1 ZINC000996515889 702851451 /nfs/dbraw/zinc/85/14/51/702851451.db2.gz VOQXVSPQNWITPF-AWEZNQCLSA-N 2 2 347.488 1.754 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC2(C)C)n1 ZINC000996563965 702885232 /nfs/dbraw/zinc/88/52/32/702885232.db2.gz RGYPUFUFRMNEEW-INIZCTEOSA-N 2 2 344.463 1.504 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995251498 702978379 /nfs/dbraw/zinc/97/83/79/702978379.db2.gz PXLQBYCPRUEBNQ-HIFRSBDPSA-N 2 2 331.395 1.492 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996685619 702983535 /nfs/dbraw/zinc/98/35/35/702983535.db2.gz SZLKUWUCRVVTQN-BZUAXINKSA-N 2 2 332.448 1.663 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996685619 702983537 /nfs/dbraw/zinc/98/35/37/702983537.db2.gz SZLKUWUCRVVTQN-BZUAXINKSA-N 2 2 332.448 1.663 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)ccn1 ZINC000996712504 703007629 /nfs/dbraw/zinc/00/76/29/703007629.db2.gz FMPIPBBFWCFOFA-HNNXBMFYSA-N 2 2 343.431 1.314 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000996713367 703008489 /nfs/dbraw/zinc/00/84/89/703008489.db2.gz IKDYPVPSFPUPDC-AWEZNQCLSA-N 2 2 347.850 1.958 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000995255217 703009141 /nfs/dbraw/zinc/00/91/41/703009141.db2.gz WIVFPVSBMXKSKY-HOCLYGCPSA-N 2 2 328.420 1.056 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)c[nH+]1 ZINC000996715482 703010396 /nfs/dbraw/zinc/01/03/96/703010396.db2.gz IWUHYXIVMWNPMU-UHFFFAOYSA-N 2 2 344.463 1.441 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942517717 703011230 /nfs/dbraw/zinc/01/12/30/703011230.db2.gz FCDCFSQWVQRTIB-WFASDCNBSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942517717 703011233 /nfs/dbraw/zinc/01/12/33/703011233.db2.gz FCDCFSQWVQRTIB-WFASDCNBSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)s1 ZINC000942518368 703013706 /nfs/dbraw/zinc/01/37/06/703013706.db2.gz QQVWDQNPQVSPCT-DOMZBBRYSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)s1 ZINC000942518368 703013708 /nfs/dbraw/zinc/01/37/08/703013708.db2.gz QQVWDQNPQVSPCT-DOMZBBRYSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C[C@@H]1C ZINC000942518659 703020006 /nfs/dbraw/zinc/02/00/06/703020006.db2.gz VAEBRJPKLWXDRF-XJKSGUPXSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2nccc(C)n2)C[C@@H]1C ZINC000942518659 703020008 /nfs/dbraw/zinc/02/00/08/703020008.db2.gz VAEBRJPKLWXDRF-XJKSGUPXSA-N 2 2 342.447 1.317 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996727712 703022698 /nfs/dbraw/zinc/02/26/98/703022698.db2.gz GUOACBSSSCNRIA-UHFFFAOYSA-N 2 2 342.428 1.809 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996739288 703025317 /nfs/dbraw/zinc/02/53/17/703025317.db2.gz PYXBXYRVZYFCEJ-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996729924 703026795 /nfs/dbraw/zinc/02/67/95/703026795.db2.gz HTCYSEDNNPMGKV-CYBMUJFWSA-N 2 2 329.404 1.214 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996730801 703027517 /nfs/dbraw/zinc/02/75/17/703027517.db2.gz KEHDKNLJKQWSPO-CABCVRRESA-N 2 2 332.448 1.063 20 0 EDADLP CCCc1noc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000996860693 703144143 /nfs/dbraw/zinc/14/41/43/703144143.db2.gz UFPJULNJSYUVLX-UHFFFAOYSA-N 2 2 346.435 1.390 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000996861728 703144819 /nfs/dbraw/zinc/14/48/19/703144819.db2.gz ZRWNPRNXURFTIF-SFHVURJKSA-N 2 2 348.491 1.795 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042905 703210070 /nfs/dbraw/zinc/21/00/70/703210070.db2.gz NRYBQKAPRWNJNE-GDBMZVCRSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042905 703210071 /nfs/dbraw/zinc/21/00/71/703210071.db2.gz NRYBQKAPRWNJNE-GDBMZVCRSA-N 2 2 334.489 1.708 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C/C=C\Cl)CC1 ZINC000996994599 703251079 /nfs/dbraw/zinc/25/10/79/703251079.db2.gz XYQHUKGRGLWLBB-LXJUILQBSA-N 2 2 329.872 1.286 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C/C=C\Cl)CC1 ZINC000996994599 703251081 /nfs/dbraw/zinc/25/10/81/703251081.db2.gz XYQHUKGRGLWLBB-LXJUILQBSA-N 2 2 329.872 1.286 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997015469 703274425 /nfs/dbraw/zinc/27/44/25/703274425.db2.gz HYZMVJWBJXNELB-HZPDHXFCSA-N 2 2 343.431 1.601 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC000997045303 703293994 /nfs/dbraw/zinc/29/39/94/703293994.db2.gz LKZIFYFGFRKDBD-HOTGVXAUSA-N 2 2 334.464 1.841 20 0 EDADLP Cc1conc1C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000997049562 703298219 /nfs/dbraw/zinc/29/82/19/703298219.db2.gz KLSZNFJAIVQGAS-CQSZACIVSA-N 2 2 331.420 1.911 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997085063 703330589 /nfs/dbraw/zinc/33/05/89/703330589.db2.gz OGIDIUIMLGTPFE-NSHDSACASA-N 2 2 334.449 1.221 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997097560 703336817 /nfs/dbraw/zinc/33/68/17/703336817.db2.gz LGWYBAPZLMFSPE-XJKCOSOUSA-N 2 2 348.495 1.170 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997097560 703336818 /nfs/dbraw/zinc/33/68/18/703336818.db2.gz LGWYBAPZLMFSPE-XJKCOSOUSA-N 2 2 348.495 1.170 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)O1 ZINC000997237915 703524677 /nfs/dbraw/zinc/52/46/77/703524677.db2.gz RFGYIVRJACJEND-PBHICJAKSA-N 2 2 334.464 1.501 20 0 EDADLP CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000997243451 703529640 /nfs/dbraw/zinc/52/96/40/703529640.db2.gz JMQCRDDAUNXYJA-QAPCUYQASA-N 2 2 337.508 1.724 20 0 EDADLP CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000997243451 703529641 /nfs/dbraw/zinc/52/96/41/703529641.db2.gz JMQCRDDAUNXYJA-QAPCUYQASA-N 2 2 337.508 1.724 20 0 EDADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1CCC([NH2+]CC2CCC2)CC1 ZINC000997344634 703575044 /nfs/dbraw/zinc/57/50/44/703575044.db2.gz LGRURFSTEJTTIK-GOSISDBHSA-N 2 2 335.492 1.478 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000921589252 703630225 /nfs/dbraw/zinc/63/02/25/703630225.db2.gz ZRBZYVDOCLBMCM-CGZBRXJRSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC1CCOCC1 ZINC000947931102 703923461 /nfs/dbraw/zinc/92/34/61/703923461.db2.gz ZWLOJSXDBAVKOX-HOCLYGCPSA-N 2 2 334.464 1.358 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC1CCOCC1 ZINC000947931102 703923462 /nfs/dbraw/zinc/92/34/62/703923462.db2.gz ZWLOJSXDBAVKOX-HOCLYGCPSA-N 2 2 334.464 1.358 20 0 EDADLP COCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997641638 703949318 /nfs/dbraw/zinc/94/93/18/703949318.db2.gz HMWRDHOJFYVVMC-HOCLYGCPSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1 ZINC001032521687 703975111 /nfs/dbraw/zinc/97/51/11/703975111.db2.gz JDAYSPPFJYUBEY-KBPBESRZSA-N 2 2 331.445 1.176 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1 ZINC001032521687 703975114 /nfs/dbraw/zinc/97/51/14/703975114.db2.gz JDAYSPPFJYUBEY-KBPBESRZSA-N 2 2 331.445 1.176 20 0 EDADLP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997671710 704017495 /nfs/dbraw/zinc/01/74/95/704017495.db2.gz BDNYYYDEUNKCAF-KBPBESRZSA-N 2 2 330.432 1.545 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004252000 704077474 /nfs/dbraw/zinc/07/74/74/704077474.db2.gz DRADQROWWGDMRH-UHFFFAOYSA-N 2 2 342.443 1.981 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001033080741 704135149 /nfs/dbraw/zinc/13/51/49/704135149.db2.gz ITISGKUMMCKGMN-SJORKVTESA-N 2 2 332.448 1.358 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001033080741 704135150 /nfs/dbraw/zinc/13/51/50/704135150.db2.gz ITISGKUMMCKGMN-SJORKVTESA-N 2 2 332.448 1.358 20 0 EDADLP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033097882 704196569 /nfs/dbraw/zinc/19/65/69/704196569.db2.gz XZXHCGFCXNVVQN-GOEBONIOSA-N 2 2 334.464 1.330 20 0 EDADLP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033097882 704196570 /nfs/dbraw/zinc/19/65/70/704196570.db2.gz XZXHCGFCXNVVQN-GOEBONIOSA-N 2 2 334.464 1.330 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccn2)CC1 ZINC001032710664 706798225 /nfs/dbraw/zinc/79/82/25/706798225.db2.gz LJZAMQIRRHVYMF-OALUTQOASA-N 2 2 342.487 1.987 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccn2)CC1 ZINC001032710664 706798228 /nfs/dbraw/zinc/79/82/28/706798228.db2.gz LJZAMQIRRHVYMF-OALUTQOASA-N 2 2 342.487 1.987 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999301898 706805326 /nfs/dbraw/zinc/80/53/26/706805326.db2.gz DRTIASWEOWJWDM-CABCVRRESA-N 2 2 335.452 1.333 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999301898 706805329 /nfs/dbraw/zinc/80/53/29/706805329.db2.gz DRTIASWEOWJWDM-CABCVRRESA-N 2 2 335.452 1.333 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032545280 704647737 /nfs/dbraw/zinc/64/77/37/704647737.db2.gz ZOJHLJHMFZYHLU-COXVUDFISA-N 2 2 326.400 1.152 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032545280 704647739 /nfs/dbraw/zinc/64/77/39/704647739.db2.gz ZOJHLJHMFZYHLU-COXVUDFISA-N 2 2 326.400 1.152 20 0 EDADLP CCCc1noc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944943220 704795464 /nfs/dbraw/zinc/79/54/64/704795464.db2.gz GEUMWADZWYZLKM-HUUCEWRRSA-N 2 2 349.479 1.445 20 0 EDADLP CCCc1noc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944943220 704795466 /nfs/dbraw/zinc/79/54/66/704795466.db2.gz GEUMWADZWYZLKM-HUUCEWRRSA-N 2 2 349.479 1.445 20 0 EDADLP C[C@H]1C[N@H+](Cc2nnc(C3CC3)o2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944260 704797024 /nfs/dbraw/zinc/79/70/24/704797024.db2.gz LTQVWIZABQOXFY-DZGCQCFKSA-N 2 2 347.463 1.369 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nnc(C3CC3)o2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944260 704797025 /nfs/dbraw/zinc/79/70/25/704797025.db2.gz LTQVWIZABQOXFY-DZGCQCFKSA-N 2 2 347.463 1.369 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944945259 704798243 /nfs/dbraw/zinc/79/82/43/704798243.db2.gz QOOFOALSUBVGAP-ZIAGYGMSSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944945259 704798244 /nfs/dbraw/zinc/79/82/44/704798244.db2.gz QOOFOALSUBVGAP-ZIAGYGMSSA-N 2 2 335.452 1.054 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)oc1C ZINC000944964096 704830351 /nfs/dbraw/zinc/83/03/51/704830351.db2.gz FVZNDJPLDQKPNF-MLGOLLRUSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)oc1C ZINC000944964096 704830356 /nfs/dbraw/zinc/83/03/56/704830356.db2.gz FVZNDJPLDQKPNF-MLGOLLRUSA-N 2 2 345.447 1.823 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000997931488 705027926 /nfs/dbraw/zinc/02/79/26/705027926.db2.gz YRAJFJVMSSLWTF-UHFFFAOYSA-N 2 2 347.488 1.838 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCc3[nH+]ccn3C)CC2)o1 ZINC000997927484 705031711 /nfs/dbraw/zinc/03/17/11/705031711.db2.gz ADARVKZJCDPDQF-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998046106 705242153 /nfs/dbraw/zinc/24/21/53/705242153.db2.gz MPEOAJAJDNTWSM-HZPDHXFCSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998046106 705242156 /nfs/dbraw/zinc/24/21/56/705242156.db2.gz MPEOAJAJDNTWSM-HZPDHXFCSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998052146 705255196 /nfs/dbraw/zinc/25/51/96/705255196.db2.gz OFJNZTLTWQKKMJ-SJORKVTESA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998052146 705255198 /nfs/dbraw/zinc/25/51/98/705255198.db2.gz OFJNZTLTWQKKMJ-SJORKVTESA-N 2 2 348.491 1.531 20 0 EDADLP COc1cccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000998115016 705365487 /nfs/dbraw/zinc/36/54/87/705365487.db2.gz LRFVKFFAEGTQIT-UHFFFAOYSA-N 2 2 343.431 1.384 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000998223585 705551149 /nfs/dbraw/zinc/55/11/49/705551149.db2.gz SNYJILLMDGBQGY-UHFFFAOYSA-N 2 2 347.488 1.756 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)nn1C ZINC000998243787 705583396 /nfs/dbraw/zinc/58/33/96/705583396.db2.gz IXFYGCOKJICMSR-UHFFFAOYSA-N 2 2 344.463 1.331 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032612152 705587328 /nfs/dbraw/zinc/58/73/28/705587328.db2.gz WPXDLJNZBIUAIJ-RLFYNMQTSA-N 2 2 348.491 1.917 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000998246584 705593691 /nfs/dbraw/zinc/59/36/91/705593691.db2.gz ZVDBUBXJHGBZHP-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000998268748 705645035 /nfs/dbraw/zinc/64/50/35/705645035.db2.gz IRIUXHCPZUCKJL-UHFFFAOYSA-N 2 2 347.463 1.371 20 0 EDADLP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000998297915 705701231 /nfs/dbraw/zinc/70/12/31/705701231.db2.gz QKJNBPDMNZEMDS-UHFFFAOYSA-N 2 2 346.435 1.418 20 0 EDADLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001032627988 705740147 /nfs/dbraw/zinc/74/01/47/705740147.db2.gz OLBGATUMNOZCMN-SZMVWBNQSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001032627988 705740149 /nfs/dbraw/zinc/74/01/49/705740149.db2.gz OLBGATUMNOZCMN-SZMVWBNQSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001032627988 705740151 /nfs/dbraw/zinc/74/01/51/705740151.db2.gz OLBGATUMNOZCMN-SZMVWBNQSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001032627988 705740152 /nfs/dbraw/zinc/74/01/52/705740152.db2.gz OLBGATUMNOZCMN-SZMVWBNQSA-N 2 2 343.471 1.822 20 0 EDADLP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000998988329 706420105 /nfs/dbraw/zinc/42/01/05/706420105.db2.gz GXTWDXTXJPFYTA-UHFFFAOYSA-N 2 2 340.387 1.647 20 0 EDADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999008503 706428032 /nfs/dbraw/zinc/42/80/32/706428032.db2.gz YSPYGTPYHDSRQU-KLAILNCOSA-N 2 2 346.475 1.451 20 0 EDADLP COc1nscc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999043822 706485068 /nfs/dbraw/zinc/48/50/68/706485068.db2.gz KHUMQNBUESQYBP-CYBMUJFWSA-N 2 2 349.460 1.588 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999045829 706487283 /nfs/dbraw/zinc/48/72/83/706487283.db2.gz REBJQLSCMLQVIR-CYBMUJFWSA-N 2 2 326.391 1.968 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000999048487 706489877 /nfs/dbraw/zinc/48/98/77/706489877.db2.gz WYYOLIMDSAQMMI-JKSUJKDBSA-N 2 2 334.464 1.882 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC000999127720 706529409 /nfs/dbraw/zinc/52/94/09/706529409.db2.gz TYEQGXLRMTXDJZ-UHFFFAOYSA-N 2 2 346.435 1.477 20 0 EDADLP CCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999355305 706844890 /nfs/dbraw/zinc/84/48/90/706844890.db2.gz UIJANLWNCYXYRU-ZIAGYGMSSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC000999364316 706878164 /nfs/dbraw/zinc/87/81/64/706878164.db2.gz LOSNWDQFFVIYIF-CQSZACIVSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC000999364316 706878167 /nfs/dbraw/zinc/87/81/67/706878167.db2.gz LOSNWDQFFVIYIF-CQSZACIVSA-N 2 2 349.479 1.758 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999403630 706912223 /nfs/dbraw/zinc/91/22/23/706912223.db2.gz XDOHASDHMFHKKM-UKRRQHHQSA-N 2 2 337.493 1.493 20 0 EDADLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999403630 706912225 /nfs/dbraw/zinc/91/22/25/706912225.db2.gz XDOHASDHMFHKKM-UKRRQHHQSA-N 2 2 337.493 1.493 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1)[NH+](C)C ZINC000999437538 706944832 /nfs/dbraw/zinc/94/48/32/706944832.db2.gz XFGFSVJOHQWBGY-ZBFHGGJFSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)c[nH+]1 ZINC000999464385 706972198 /nfs/dbraw/zinc/97/21/98/706972198.db2.gz AVAUTLCHQUUSBG-IAGOWNOFSA-N 2 2 348.491 1.934 20 0 EDADLP Cn1nncc1C[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000999501071 706998797 /nfs/dbraw/zinc/99/87/97/706998797.db2.gz FAVLBQYIIMPXRC-ZDUSSCGKSA-N 2 2 339.403 1.086 20 0 EDADLP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999537353 707037991 /nfs/dbraw/zinc/03/79/91/707037991.db2.gz RPSMLLRBCXGFAZ-HOCLYGCPSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999537795 707038736 /nfs/dbraw/zinc/03/87/36/707038736.db2.gz UPPZOHVUAAHUPR-HOCLYGCPSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)o1 ZINC000999538819 707039417 /nfs/dbraw/zinc/03/94/17/707039417.db2.gz ZKWUHLPYGLBCEC-CABCVRRESA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000999697915 707224283 /nfs/dbraw/zinc/22/42/83/707224283.db2.gz OJGREGARACZKAR-UHFFFAOYSA-N 2 2 344.463 1.508 20 0 EDADLP Cc1ncsc1CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999686831 707239985 /nfs/dbraw/zinc/23/99/85/707239985.db2.gz AAVGVDBVUPANGB-UHFFFAOYSA-N 2 2 347.488 1.549 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999690317 707246962 /nfs/dbraw/zinc/24/69/62/707246962.db2.gz WWHPJBOHALJTDA-UHFFFAOYSA-N 2 2 342.443 1.234 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999690473 707247417 /nfs/dbraw/zinc/24/74/17/707247417.db2.gz YUIRNIZALIZIEB-UHFFFAOYSA-N 2 2 331.395 1.276 20 0 EDADLP CCc1nnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999726719 707268926 /nfs/dbraw/zinc/26/89/26/707268926.db2.gz OXNJUZNNQAECSC-KBPBESRZSA-N 2 2 346.435 1.479 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033265310 707288368 /nfs/dbraw/zinc/28/83/68/707288368.db2.gz GKPJLOOEKITYRE-HNNXBMFYSA-N 2 2 345.447 1.783 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033265310 707288371 /nfs/dbraw/zinc/28/83/71/707288371.db2.gz GKPJLOOEKITYRE-HNNXBMFYSA-N 2 2 345.447 1.783 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033267138 707296193 /nfs/dbraw/zinc/29/61/93/707296193.db2.gz UMUKWKXZLFBVCE-KGLIPLIRSA-N 2 2 342.390 1.148 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033267138 707296199 /nfs/dbraw/zinc/29/61/99/707296199.db2.gz UMUKWKXZLFBVCE-KGLIPLIRSA-N 2 2 342.390 1.148 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)on1 ZINC000999776276 707336329 /nfs/dbraw/zinc/33/63/29/707336329.db2.gz OLWLRRZXOSSFPI-AWEZNQCLSA-N 2 2 331.420 1.430 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000999776891 707336720 /nfs/dbraw/zinc/33/67/20/707336720.db2.gz PSMJAZYCZTWIQW-HOTGVXAUSA-N 2 2 334.464 1.360 20 0 EDADLP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999791910 707362777 /nfs/dbraw/zinc/36/27/77/707362777.db2.gz LHHLMDQGSVWOPF-GOEBONIOSA-N 2 2 349.504 1.493 20 0 EDADLP Cc1ncsc1CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999837717 707409236 /nfs/dbraw/zinc/40/92/36/707409236.db2.gz SAEJFLQNHNOKDH-HNNXBMFYSA-N 2 2 347.488 1.861 20 0 EDADLP CC(C)n1cc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC000999839023 707411194 /nfs/dbraw/zinc/41/11/94/707411194.db2.gz XWALBIFFXYDCLK-OAHLLOKOSA-N 2 2 345.451 1.226 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2csc(C3CC3)n2)C1 ZINC000999917739 707560007 /nfs/dbraw/zinc/56/00/07/707560007.db2.gz WXKKWQKVHKTECV-UHFFFAOYSA-N 2 2 345.472 1.996 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033360368 707688736 /nfs/dbraw/zinc/68/87/36/707688736.db2.gz IPZSFTXQOWEYIU-ULQDDVLXSA-N 2 2 347.507 1.666 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033360368 707688738 /nfs/dbraw/zinc/68/87/38/707688738.db2.gz IPZSFTXQOWEYIU-ULQDDVLXSA-N 2 2 347.507 1.666 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033360368 707688742 /nfs/dbraw/zinc/68/87/42/707688742.db2.gz IPZSFTXQOWEYIU-ULQDDVLXSA-N 2 2 347.507 1.666 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033360368 707688746 /nfs/dbraw/zinc/68/87/46/707688746.db2.gz IPZSFTXQOWEYIU-ULQDDVLXSA-N 2 2 347.507 1.666 20 0 EDADLP C[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004951085 707731027 /nfs/dbraw/zinc/73/10/27/707731027.db2.gz DMJIAEPHMUPSTP-XJKSGUPXSA-N 2 2 330.436 1.245 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCc2ccccc21 ZINC001032733055 707739652 /nfs/dbraw/zinc/73/96/52/707739652.db2.gz HYQUOYKLNYFLHZ-LNLFQRSKSA-N 2 2 336.439 1.935 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCc2ccccc21 ZINC001032733055 707739656 /nfs/dbraw/zinc/73/96/56/707739656.db2.gz HYQUOYKLNYFLHZ-LNLFQRSKSA-N 2 2 336.439 1.935 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)c(C)n1 ZINC001032734156 707743819 /nfs/dbraw/zinc/74/38/19/707743819.db2.gz ZFVKTPMMHPAHAW-ROUUACIJSA-N 2 2 340.471 1.579 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)c(C)n1 ZINC001032734156 707743821 /nfs/dbraw/zinc/74/38/21/707743821.db2.gz ZFVKTPMMHPAHAW-ROUUACIJSA-N 2 2 340.471 1.579 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1F)C12CC[NH+](CC1)C2 ZINC001032733891 707748341 /nfs/dbraw/zinc/74/83/41/707748341.db2.gz LRRQYJKPVYMHQU-HOTGVXAUSA-N 2 2 329.419 1.707 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1F)C12CC[NH+](CC1)C2 ZINC001032733891 707748344 /nfs/dbraw/zinc/74/83/44/707748344.db2.gz LRRQYJKPVYMHQU-HOTGVXAUSA-N 2 2 329.419 1.707 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)o1 ZINC001000162150 707786540 /nfs/dbraw/zinc/78/65/40/707786540.db2.gz WXVZUMPLBFALGN-UKRRQHHQSA-N 2 2 343.431 1.907 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033417344 707799375 /nfs/dbraw/zinc/79/93/75/707799375.db2.gz TXVBXOTYQDEPTE-CABCVRRESA-N 2 2 342.447 1.259 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033417344 707799383 /nfs/dbraw/zinc/79/93/83/707799383.db2.gz TXVBXOTYQDEPTE-CABCVRRESA-N 2 2 342.447 1.259 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccn1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004977353 707812936 /nfs/dbraw/zinc/81/29/36/707812936.db2.gz QBRQVLPBOIPDML-QAPCUYQASA-N 2 2 341.459 1.917 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)on1 ZINC001033228050 707867329 /nfs/dbraw/zinc/86/73/29/707867329.db2.gz IORRSPLZXBWIMY-CQSZACIVSA-N 2 2 348.447 1.344 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)on1 ZINC001033228050 707867332 /nfs/dbraw/zinc/86/73/32/707867332.db2.gz IORRSPLZXBWIMY-CQSZACIVSA-N 2 2 348.447 1.344 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2C)s1 ZINC001032782744 707976129 /nfs/dbraw/zinc/97/61/29/707976129.db2.gz KWJDGOQCKJZPQZ-GJZGRUSLSA-N 2 2 345.472 1.750 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2C)s1 ZINC001032782744 707976131 /nfs/dbraw/zinc/97/61/31/707976131.db2.gz KWJDGOQCKJZPQZ-GJZGRUSLSA-N 2 2 345.472 1.750 20 0 EDADLP O=C(NCC1=CC[N@H+](C[C@@H]2CCOC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001000876604 708075758 /nfs/dbraw/zinc/07/57/58/708075758.db2.gz ISUPOGOODZNSID-IRXDYDNUSA-N 2 2 344.459 1.230 20 0 EDADLP O=C(NCC1=CC[N@@H+](C[C@@H]2CCOC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001000876604 708075759 /nfs/dbraw/zinc/07/57/59/708075759.db2.gz ISUPOGOODZNSID-IRXDYDNUSA-N 2 2 344.459 1.230 20 0 EDADLP COc1cncc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005183517 708134166 /nfs/dbraw/zinc/13/41/66/708134166.db2.gz IVYWCCBPIPFEAA-MRXNPFEDSA-N 2 2 347.463 1.002 20 0 EDADLP COc1cncc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001005183517 708134168 /nfs/dbraw/zinc/13/41/68/708134168.db2.gz IVYWCCBPIPFEAA-MRXNPFEDSA-N 2 2 347.463 1.002 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](Cc3cnon3)CC2)C1 ZINC001001757262 708280750 /nfs/dbraw/zinc/28/07/50/708280750.db2.gz QEGXGONCCSRIRC-MRXNPFEDSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](Cc3cnon3)CC2)C1 ZINC001001757262 708280753 /nfs/dbraw/zinc/28/07/53/708280753.db2.gz QEGXGONCCSRIRC-MRXNPFEDSA-N 2 2 349.479 1.520 20 0 EDADLP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001033616087 708342181 /nfs/dbraw/zinc/34/21/81/708342181.db2.gz FNZUQVCIKDIICV-SJLPKXTDSA-N 2 2 348.491 1.999 20 0 EDADLP CO[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001033616087 708342185 /nfs/dbraw/zinc/34/21/85/708342185.db2.gz FNZUQVCIKDIICV-SJLPKXTDSA-N 2 2 348.491 1.999 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033684718 708497697 /nfs/dbraw/zinc/49/76/97/708497697.db2.gz HYVYVIKIEOVQOQ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033684718 708497699 /nfs/dbraw/zinc/49/76/99/708497699.db2.gz HYVYVIKIEOVQOQ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033684718 708497702 /nfs/dbraw/zinc/49/77/02/708497702.db2.gz HYVYVIKIEOVQOQ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033684718 708497703 /nfs/dbraw/zinc/49/77/03/708497703.db2.gz HYVYVIKIEOVQOQ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033687046 708502317 /nfs/dbraw/zinc/50/23/17/708502317.db2.gz WRGVIHSRIHHTEX-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033687046 708502319 /nfs/dbraw/zinc/50/23/19/708502319.db2.gz WRGVIHSRIHHTEX-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033687046 708502321 /nfs/dbraw/zinc/50/23/21/708502321.db2.gz WRGVIHSRIHHTEX-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033687046 708502324 /nfs/dbraw/zinc/50/23/24/708502324.db2.gz WRGVIHSRIHHTEX-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(OC)nc2)C1 ZINC001033772563 708670450 /nfs/dbraw/zinc/67/04/50/708670450.db2.gz ABOHTJUCSGJHIW-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC001033772563 708670453 /nfs/dbraw/zinc/67/04/53/708670453.db2.gz ABOHTJUCSGJHIW-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001033772563 708670455 /nfs/dbraw/zinc/67/04/55/708670455.db2.gz ABOHTJUCSGJHIW-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001033772563 708670460 /nfs/dbraw/zinc/67/04/60/708670460.db2.gz ABOHTJUCSGJHIW-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001033786887 708696068 /nfs/dbraw/zinc/69/60/68/708696068.db2.gz AWMKITAUXCEOIR-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033786887 708696071 /nfs/dbraw/zinc/69/60/71/708696071.db2.gz AWMKITAUXCEOIR-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033786887 708696073 /nfs/dbraw/zinc/69/60/73/708696073.db2.gz AWMKITAUXCEOIR-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033786887 708696076 /nfs/dbraw/zinc/69/60/76/708696076.db2.gz AWMKITAUXCEOIR-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033789424 708699829 /nfs/dbraw/zinc/69/98/29/708699829.db2.gz NXWAASOTXKICTK-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033789424 708699832 /nfs/dbraw/zinc/69/98/32/708699832.db2.gz NXWAASOTXKICTK-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033789424 708699833 /nfs/dbraw/zinc/69/98/33/708699833.db2.gz NXWAASOTXKICTK-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033789424 708699836 /nfs/dbraw/zinc/69/98/36/708699836.db2.gz NXWAASOTXKICTK-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033777370 708705255 /nfs/dbraw/zinc/70/52/55/708705255.db2.gz VGHMBKSNASTQLZ-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033777370 708705257 /nfs/dbraw/zinc/70/52/57/708705257.db2.gz VGHMBKSNASTQLZ-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033777370 708705259 /nfs/dbraw/zinc/70/52/59/708705259.db2.gz VGHMBKSNASTQLZ-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033777370 708705261 /nfs/dbraw/zinc/70/52/61/708705261.db2.gz VGHMBKSNASTQLZ-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033790757 708715432 /nfs/dbraw/zinc/71/54/32/708715432.db2.gz YDUQNQGGPQSQBP-QZTJIDSGSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033790757 708715440 /nfs/dbraw/zinc/71/54/40/708715440.db2.gz YDUQNQGGPQSQBP-QZTJIDSGSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001033790757 708715444 /nfs/dbraw/zinc/71/54/44/708715444.db2.gz YDUQNQGGPQSQBP-QZTJIDSGSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001033790757 708715447 /nfs/dbraw/zinc/71/54/47/708715447.db2.gz YDUQNQGGPQSQBP-QZTJIDSGSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033839566 708870026 /nfs/dbraw/zinc/87/00/26/708870026.db2.gz QVTVVMBZKCNHKD-RHSMWYFYSA-N 2 2 349.479 1.359 20 0 EDADLP CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033839566 708870030 /nfs/dbraw/zinc/87/00/30/708870030.db2.gz QVTVVMBZKCNHKD-RHSMWYFYSA-N 2 2 349.479 1.359 20 0 EDADLP CCN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)[C@@H]1CC[NH+](CCOC)C1 ZINC001033839566 708870032 /nfs/dbraw/zinc/87/00/32/708870032.db2.gz QVTVVMBZKCNHKD-RHSMWYFYSA-N 2 2 349.479 1.359 20 0 EDADLP CCN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)[C@@H]1CC[NH+](CCOC)C1 ZINC001033839566 708870035 /nfs/dbraw/zinc/87/00/35/708870035.db2.gz QVTVVMBZKCNHKD-RHSMWYFYSA-N 2 2 349.479 1.359 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033886780 708994310 /nfs/dbraw/zinc/99/43/10/708994310.db2.gz JCTHFDUXHDSSLN-ZBFHGGJFSA-N 2 2 343.431 1.135 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033886780 708994311 /nfs/dbraw/zinc/99/43/11/708994311.db2.gz JCTHFDUXHDSSLN-ZBFHGGJFSA-N 2 2 343.431 1.135 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033927793 709058912 /nfs/dbraw/zinc/05/89/12/709058912.db2.gz PUVPVXWYGHQWPT-SJORKVTESA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033927793 709058915 /nfs/dbraw/zinc/05/89/15/709058915.db2.gz PUVPVXWYGHQWPT-SJORKVTESA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033927793 709058918 /nfs/dbraw/zinc/05/89/18/709058918.db2.gz PUVPVXWYGHQWPT-SJORKVTESA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033927793 709058921 /nfs/dbraw/zinc/05/89/21/709058921.db2.gz PUVPVXWYGHQWPT-SJORKVTESA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001034039166 709271571 /nfs/dbraw/zinc/27/15/71/709271571.db2.gz GEURGUXBMPWFQI-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001034039166 709271573 /nfs/dbraw/zinc/27/15/73/709271573.db2.gz GEURGUXBMPWFQI-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(C)s2)C1 ZINC001034039166 709271574 /nfs/dbraw/zinc/27/15/74/709271574.db2.gz GEURGUXBMPWFQI-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(C)s2)C1 ZINC001034039166 709271576 /nfs/dbraw/zinc/27/15/76/709271576.db2.gz GEURGUXBMPWFQI-GJZGRUSLSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001034041376 709290229 /nfs/dbraw/zinc/29/02/29/709290229.db2.gz COBRPBKEUJYUTM-CVEARBPZSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001034041376 709290231 /nfs/dbraw/zinc/29/02/31/709290231.db2.gz COBRPBKEUJYUTM-CVEARBPZSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001034041376 709290232 /nfs/dbraw/zinc/29/02/32/709290232.db2.gz COBRPBKEUJYUTM-CVEARBPZSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001034041376 709290234 /nfs/dbraw/zinc/29/02/34/709290234.db2.gz COBRPBKEUJYUTM-CVEARBPZSA-N 2 2 333.480 1.278 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC001002802816 709405277 /nfs/dbraw/zinc/40/52/77/709405277.db2.gz OVHYONATHOJDCA-HOCLYGCPSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)o1 ZINC001002802816 709405279 /nfs/dbraw/zinc/40/52/79/709405279.db2.gz OVHYONATHOJDCA-HOCLYGCPSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC001002799685 709413450 /nfs/dbraw/zinc/41/34/50/709413450.db2.gz ARLSYVROZQGWPR-RDJZCZTQSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)o1 ZINC001002799685 709413451 /nfs/dbraw/zinc/41/34/51/709413451.db2.gz ARLSYVROZQGWPR-RDJZCZTQSA-N 2 2 346.475 1.938 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001034144675 709415386 /nfs/dbraw/zinc/41/53/86/709415386.db2.gz CBNLCIAWMIAXNJ-ROUUACIJSA-N 2 2 349.450 1.627 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001034144675 709415388 /nfs/dbraw/zinc/41/53/88/709415388.db2.gz CBNLCIAWMIAXNJ-ROUUACIJSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001034144675 709415392 /nfs/dbraw/zinc/41/53/92/709415392.db2.gz CBNLCIAWMIAXNJ-ROUUACIJSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001034144675 709415394 /nfs/dbraw/zinc/41/53/94/709415394.db2.gz CBNLCIAWMIAXNJ-ROUUACIJSA-N 2 2 349.450 1.627 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3F)C2)C1 ZINC001034148680 709420391 /nfs/dbraw/zinc/42/03/91/709420391.db2.gz NGWURAKQWGURLB-WMZOPIPTSA-N 2 2 349.450 1.627 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3F)C2)C1 ZINC001034148680 709420394 /nfs/dbraw/zinc/42/03/94/709420394.db2.gz NGWURAKQWGURLB-WMZOPIPTSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccc3F)C2)C1 ZINC001034148680 709420396 /nfs/dbraw/zinc/42/03/96/709420396.db2.gz NGWURAKQWGURLB-WMZOPIPTSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3F)C2)C1 ZINC001034148680 709420399 /nfs/dbraw/zinc/42/03/99/709420399.db2.gz NGWURAKQWGURLB-WMZOPIPTSA-N 2 2 349.450 1.627 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061180811 709479625 /nfs/dbraw/zinc/47/96/25/709479625.db2.gz UKKMYDMLOJSTND-SJORKVTESA-N 2 2 345.491 1.923 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061180811 709479627 /nfs/dbraw/zinc/47/96/27/709479627.db2.gz UKKMYDMLOJSTND-SJORKVTESA-N 2 2 345.491 1.923 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034212495 709563760 /nfs/dbraw/zinc/56/37/60/709563760.db2.gz KRGGVHQIOZKDOO-BRWVUGGUSA-N 2 2 346.475 1.117 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCO)C1 ZINC001034212495 709563763 /nfs/dbraw/zinc/56/37/63/709563763.db2.gz KRGGVHQIOZKDOO-BRWVUGGUSA-N 2 2 346.475 1.117 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001034214567 709567435 /nfs/dbraw/zinc/56/74/35/709567435.db2.gz OAPNBIQHVOKJIY-BFYDXBDKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001034214567 709567439 /nfs/dbraw/zinc/56/74/39/709567439.db2.gz OAPNBIQHVOKJIY-BFYDXBDKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001034214567 709567441 /nfs/dbraw/zinc/56/74/41/709567441.db2.gz OAPNBIQHVOKJIY-BFYDXBDKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001034214567 709567444 /nfs/dbraw/zinc/56/74/44/709567444.db2.gz OAPNBIQHVOKJIY-BFYDXBDKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034272875 709681094 /nfs/dbraw/zinc/68/10/94/709681094.db2.gz XUQFTMQXYSVQSN-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034272875 709681095 /nfs/dbraw/zinc/68/10/95/709681095.db2.gz XUQFTMQXYSVQSN-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034272875 709681099 /nfs/dbraw/zinc/68/10/99/709681099.db2.gz XUQFTMQXYSVQSN-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034272875 709681101 /nfs/dbraw/zinc/68/11/01/709681101.db2.gz XUQFTMQXYSVQSN-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP COC[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282690 709701420 /nfs/dbraw/zinc/70/14/20/709701420.db2.gz RDVXSSAFFRLLHX-ZIAGYGMSSA-N 2 2 338.452 1.355 20 0 EDADLP COC[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282690 709701423 /nfs/dbraw/zinc/70/14/23/709701423.db2.gz RDVXSSAFFRLLHX-ZIAGYGMSSA-N 2 2 338.452 1.355 20 0 EDADLP Cc1nonc1C[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432604 710002725 /nfs/dbraw/zinc/00/27/25/710002725.db2.gz WEXZHYVRWQJMMN-MRXNPFEDSA-N 2 2 349.479 1.581 20 0 EDADLP Cc1nonc1C[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432604 710002730 /nfs/dbraw/zinc/00/27/30/710002730.db2.gz WEXZHYVRWQJMMN-MRXNPFEDSA-N 2 2 349.479 1.581 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@H]2CCCO2)C1 ZINC001034502757 710143956 /nfs/dbraw/zinc/14/39/56/710143956.db2.gz ICUCXOVCIGXTQH-HZPDHXFCSA-N 2 2 334.464 1.800 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001034502757 710143958 /nfs/dbraw/zinc/14/39/58/710143958.db2.gz ICUCXOVCIGXTQH-HZPDHXFCSA-N 2 2 334.464 1.800 20 0 EDADLP CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C1C[NH+](CC2CCC2)C1 ZINC001044101107 710248844 /nfs/dbraw/zinc/24/88/44/710248844.db2.gz YWCMWUAWPQPURA-UHFFFAOYSA-N 2 2 325.416 1.824 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001003652474 710469905 /nfs/dbraw/zinc/46/99/05/710469905.db2.gz NYFMTZLIPSYEOI-DJIMGWMZSA-N 2 2 346.475 1.531 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001003705928 710503732 /nfs/dbraw/zinc/50/37/32/710503732.db2.gz WDXFILPDFHPNPO-UHFFFAOYSA-N 2 2 342.443 1.920 20 0 EDADLP COc1cccc(C[NH+]2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1C ZINC001044290180 710586580 /nfs/dbraw/zinc/58/65/80/710586580.db2.gz LMVMZZAFISNUKK-MRXNPFEDSA-N 2 2 331.460 1.598 20 0 EDADLP COc1cccc(C[NH+]2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1C ZINC001044290180 710586584 /nfs/dbraw/zinc/58/65/84/710586584.db2.gz LMVMZZAFISNUKK-MRXNPFEDSA-N 2 2 331.460 1.598 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001034679221 710660959 /nfs/dbraw/zinc/66/09/59/710660959.db2.gz TXQVRXWPHKIDOW-QBPKDAKJSA-N 2 2 346.475 1.499 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001005627346 710751939 /nfs/dbraw/zinc/75/19/39/710751939.db2.gz YKJYFZACAVOLTM-UKRRQHHQSA-N 2 2 348.491 1.781 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001005627346 710751945 /nfs/dbraw/zinc/75/19/45/710751945.db2.gz YKJYFZACAVOLTM-UKRRQHHQSA-N 2 2 348.491 1.781 20 0 EDADLP COC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005626659 710767849 /nfs/dbraw/zinc/76/78/49/710767849.db2.gz WOLRECWPSQDFNB-GJZGRUSLSA-N 2 2 334.464 1.403 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001032946482 710928765 /nfs/dbraw/zinc/92/87/65/710928765.db2.gz WZZRDOWEANCJSH-LSDHHAIUSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001032946482 710928768 /nfs/dbraw/zinc/92/87/68/710928768.db2.gz WZZRDOWEANCJSH-LSDHHAIUSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001032946482 710928770 /nfs/dbraw/zinc/92/87/70/710928770.db2.gz WZZRDOWEANCJSH-LSDHHAIUSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001032946482 710928773 /nfs/dbraw/zinc/92/87/73/710928773.db2.gz WZZRDOWEANCJSH-LSDHHAIUSA-N 2 2 336.867 1.862 20 0 EDADLP CCc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032979788 711102966 /nfs/dbraw/zinc/10/29/66/711102966.db2.gz JVZAWDNNUVDPBK-MOPGFXCFSA-N 2 2 345.487 1.612 20 0 EDADLP CCc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032979788 711102972 /nfs/dbraw/zinc/10/29/72/711102972.db2.gz JVZAWDNNUVDPBK-MOPGFXCFSA-N 2 2 345.487 1.612 20 0 EDADLP CCc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001032979788 711102975 /nfs/dbraw/zinc/10/29/75/711102975.db2.gz JVZAWDNNUVDPBK-MOPGFXCFSA-N 2 2 345.487 1.612 20 0 EDADLP CCc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001032979788 711102981 /nfs/dbraw/zinc/10/29/81/711102981.db2.gz JVZAWDNNUVDPBK-MOPGFXCFSA-N 2 2 345.487 1.612 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003976819 711178938 /nfs/dbraw/zinc/17/89/38/711178938.db2.gz RWJNTYBTBUNCLB-OAHLLOKOSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003976819 711178942 /nfs/dbraw/zinc/17/89/42/711178942.db2.gz RWJNTYBTBUNCLB-OAHLLOKOSA-N 2 2 348.495 1.029 20 0 EDADLP Cc1ncsc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001034922641 711383532 /nfs/dbraw/zinc/38/35/32/711383532.db2.gz BXRXBOKSVLAYJS-CYBMUJFWSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC001004153237 711550744 /nfs/dbraw/zinc/55/07/44/711550744.db2.gz YKNONZQACNXKIE-UHFFFAOYSA-N 2 2 333.461 1.737 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004468126 711842707 /nfs/dbraw/zinc/84/27/07/711842707.db2.gz GHCMLDZLVWAAAP-WMZOPIPTSA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004468126 711842709 /nfs/dbraw/zinc/84/27/09/711842709.db2.gz GHCMLDZLVWAAAP-WMZOPIPTSA-N 2 2 346.475 1.141 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946614537 711861256 /nfs/dbraw/zinc/86/12/56/711861256.db2.gz BONWLXIACFCPQQ-HRCADAONSA-N 2 2 334.464 1.548 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946614537 711861257 /nfs/dbraw/zinc/86/12/57/711861257.db2.gz BONWLXIACFCPQQ-HRCADAONSA-N 2 2 334.464 1.548 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946614537 711861258 /nfs/dbraw/zinc/86/12/58/711861258.db2.gz BONWLXIACFCPQQ-HRCADAONSA-N 2 2 334.464 1.548 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946614537 711861260 /nfs/dbraw/zinc/86/12/60/711861260.db2.gz BONWLXIACFCPQQ-HRCADAONSA-N 2 2 334.464 1.548 20 0 EDADLP Cc1conc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033140835 711940193 /nfs/dbraw/zinc/94/01/93/711940193.db2.gz ATWYWAUSSXJGEV-IAGOWNOFSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1conc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033140835 711940195 /nfs/dbraw/zinc/94/01/95/711940195.db2.gz ATWYWAUSSXJGEV-IAGOWNOFSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033140835 711940196 /nfs/dbraw/zinc/94/01/96/711940196.db2.gz ATWYWAUSSXJGEV-IAGOWNOFSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033140835 711940198 /nfs/dbraw/zinc/94/01/98/711940198.db2.gz ATWYWAUSSXJGEV-IAGOWNOFSA-N 2 2 348.491 1.994 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033152207 712151197 /nfs/dbraw/zinc/15/11/97/712151197.db2.gz NMMYYDMKVVRMKN-HIFRSBDPSA-N 2 2 345.472 1.950 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033152207 712151199 /nfs/dbraw/zinc/15/11/99/712151199.db2.gz NMMYYDMKVVRMKN-HIFRSBDPSA-N 2 2 345.472 1.950 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370128056 282259296 /nfs/dbraw/zinc/25/92/96/282259296.db2.gz CSSFCGKNGJTLHZ-HOTGVXAUSA-N 2 2 342.447 1.939 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559289992 306253317 /nfs/dbraw/zinc/25/33/17/306253317.db2.gz KZROEDYPJGPIKJ-LBPRGKRZSA-N 2 2 343.387 1.288 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000183310892 529799794 /nfs/dbraw/zinc/79/97/94/529799794.db2.gz HGWAPPBCXHEBIO-UHFFFAOYSA-N 2 2 341.415 1.309 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173838768 282327125 /nfs/dbraw/zinc/32/71/25/282327125.db2.gz KDEALYPLIHZGHE-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCSC(C)(C)CC1)[NH+]1CCOCC1 ZINC000434680219 305127395 /nfs/dbraw/zinc/12/73/95/305127395.db2.gz SZRNXMZCBPVDDL-UHFFFAOYSA-N 2 2 343.537 1.431 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCSC(C)(C)CC1)[NH+]1CCOCC1 ZINC000434680219 305127396 /nfs/dbraw/zinc/12/73/96/305127396.db2.gz SZRNXMZCBPVDDL-UHFFFAOYSA-N 2 2 343.537 1.431 20 0 EDADLP CCCCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339662610 535047073 /nfs/dbraw/zinc/04/70/73/535047073.db2.gz KIZGZSIEABSSDJ-SJPCQFCGSA-N 2 2 325.497 1.866 20 0 EDADLP CCCCCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339662610 535047078 /nfs/dbraw/zinc/04/70/78/535047078.db2.gz KIZGZSIEABSSDJ-SJPCQFCGSA-N 2 2 325.497 1.866 20 0 EDADLP CCCCCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339662610 535047090 /nfs/dbraw/zinc/04/70/90/535047090.db2.gz KIZGZSIEABSSDJ-SJPCQFCGSA-N 2 2 325.497 1.866 20 0 EDADLP CCCCCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339662610 535047093 /nfs/dbraw/zinc/04/70/93/535047093.db2.gz KIZGZSIEABSSDJ-SJPCQFCGSA-N 2 2 325.497 1.866 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)C(C)C ZINC000345671076 535067369 /nfs/dbraw/zinc/06/73/69/535067369.db2.gz VKKGYZCMWKGKKN-HOTGVXAUSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)C(C)C ZINC000345671076 535067378 /nfs/dbraw/zinc/06/73/78/535067378.db2.gz VKKGYZCMWKGKKN-HOTGVXAUSA-N 2 2 326.485 1.220 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000561258946 306285864 /nfs/dbraw/zinc/28/58/64/306285864.db2.gz KCHPWPLWUBVTDW-CABCVRRESA-N 2 2 332.448 1.063 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000561314037 306287067 /nfs/dbraw/zinc/28/70/67/306287067.db2.gz RDFCEKAGRFRWSJ-JSGCOSHPSA-N 2 2 345.896 1.466 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000561314037 306287068 /nfs/dbraw/zinc/28/70/68/306287068.db2.gz RDFCEKAGRFRWSJ-JSGCOSHPSA-N 2 2 345.896 1.466 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000342982585 539769935 /nfs/dbraw/zinc/76/99/35/539769935.db2.gz DNEKKIDZTFHWPO-AWEZNQCLSA-N 2 2 349.479 1.024 20 0 EDADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H](C)C1 ZINC000561760782 306290672 /nfs/dbraw/zinc/29/06/72/306290672.db2.gz CCPPGABTSNPKHM-SQWLQELKSA-N 2 2 340.431 1.465 20 0 EDADLP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H](C)C1 ZINC000561760782 306290673 /nfs/dbraw/zinc/29/06/73/306290673.db2.gz CCPPGABTSNPKHM-SQWLQELKSA-N 2 2 340.431 1.465 20 0 EDADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000562789126 306309003 /nfs/dbraw/zinc/30/90/03/306309003.db2.gz LYGPWVQKVXPYNZ-GOEBONIOSA-N 2 2 331.464 1.869 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000412849647 304041322 /nfs/dbraw/zinc/04/13/22/304041322.db2.gz UCJFEVUIVPBFSH-WBVHZDCISA-N 2 2 348.466 1.547 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000412849647 304041324 /nfs/dbraw/zinc/04/13/24/304041324.db2.gz UCJFEVUIVPBFSH-WBVHZDCISA-N 2 2 348.466 1.547 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)CC1 ZINC000563254131 306324731 /nfs/dbraw/zinc/32/47/31/306324731.db2.gz UZOQXPNPNOYHKH-ZWKOTPCHSA-N 2 2 331.460 1.638 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000290689447 540089689 /nfs/dbraw/zinc/08/96/89/540089689.db2.gz UHCZKECXWMSHDN-UHFFFAOYSA-N 2 2 327.432 1.884 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2coc3ccccc23)CN1CC[NH+]1CCOCC1 ZINC000179083904 540115174 /nfs/dbraw/zinc/11/51/74/540115174.db2.gz GURMKIGHWFJFLF-MRXNPFEDSA-N 2 2 343.427 1.456 20 0 EDADLP CC[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000643275379 452111599 /nfs/dbraw/zinc/11/15/99/452111599.db2.gz ZYHRDAHMIDZVGF-CVEARBPZSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000643275379 452111606 /nfs/dbraw/zinc/11/16/06/452111606.db2.gz ZYHRDAHMIDZVGF-CVEARBPZSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385722998 540189396 /nfs/dbraw/zinc/18/93/96/540189396.db2.gz NJHRGNZVNNWLTM-HKUYNNGSSA-N 3 2 344.503 1.261 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385722998 540189397 /nfs/dbraw/zinc/18/93/97/540189397.db2.gz NJHRGNZVNNWLTM-HKUYNNGSSA-N 3 2 344.503 1.261 20 0 EDADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(Cl)c1OC ZINC000563430410 306332715 /nfs/dbraw/zinc/33/27/15/306332715.db2.gz BBZPSYSLDQDVKH-RYUDHWBXSA-N 2 2 339.823 1.101 20 0 EDADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(Cl)c1OC ZINC000563430410 306332716 /nfs/dbraw/zinc/33/27/16/306332716.db2.gz BBZPSYSLDQDVKH-RYUDHWBXSA-N 2 2 339.823 1.101 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120210817 291091597 /nfs/dbraw/zinc/09/15/97/291091597.db2.gz MYDZYMGTHCTLDZ-JKSUJKDBSA-N 2 2 339.480 1.108 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120210817 291091599 /nfs/dbraw/zinc/09/15/99/291091599.db2.gz MYDZYMGTHCTLDZ-JKSUJKDBSA-N 2 2 339.480 1.108 20 0 EDADLP C[C@H](NC(=O)[C@]1([NH+](C)C)CCCSC1)[C@H](C)[NH+]1CCOCC1 ZINC000372351659 299242154 /nfs/dbraw/zinc/24/21/54/299242154.db2.gz SUDRXKLSTUVPOT-DZKIICNBSA-N 2 2 329.510 1.039 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)NCCOc1ccccc1 ZINC000075836648 138244138 /nfs/dbraw/zinc/24/41/38/138244138.db2.gz BECRICYIGJWTHU-GOSISDBHSA-N 2 2 345.487 1.989 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)NCCOc1ccccc1 ZINC000075836648 138244139 /nfs/dbraw/zinc/24/41/39/138244139.db2.gz BECRICYIGJWTHU-GOSISDBHSA-N 2 2 345.487 1.989 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000076941478 138250439 /nfs/dbraw/zinc/25/04/39/138250439.db2.gz DGBQCNUKPNADTM-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP COc1cc(Cl)ccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563578061 306339534 /nfs/dbraw/zinc/33/95/34/306339534.db2.gz HQTJOYYFJVVKTQ-CYBMUJFWSA-N 2 2 326.828 1.133 20 0 EDADLP COc1cc(Cl)ccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563578061 306339535 /nfs/dbraw/zinc/33/95/35/306339535.db2.gz HQTJOYYFJVVKTQ-CYBMUJFWSA-N 2 2 326.828 1.133 20 0 EDADLP O=C(NCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000091576398 138284144 /nfs/dbraw/zinc/28/41/44/138284144.db2.gz GDYZXUCJWXJSIR-CYBMUJFWSA-N 2 2 337.386 1.099 20 0 EDADLP O=C(NCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000091576398 138284145 /nfs/dbraw/zinc/28/41/45/138284145.db2.gz GDYZXUCJWXJSIR-CYBMUJFWSA-N 2 2 337.386 1.099 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000105070673 138300780 /nfs/dbraw/zinc/30/07/80/138300780.db2.gz IRELJGXIWFABPP-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCC[N@@H+](CC(=O)N(C)C)CC3)cn2c1 ZINC000120157706 138315154 /nfs/dbraw/zinc/31/51/54/138315154.db2.gz ZLSXHYIWQDFOSA-UHFFFAOYSA-N 2 2 329.448 1.239 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCC[N@H+](CC(=O)N(C)C)CC3)cn2c1 ZINC000120157706 138315155 /nfs/dbraw/zinc/31/51/55/138315155.db2.gz ZLSXHYIWQDFOSA-UHFFFAOYSA-N 2 2 329.448 1.239 20 0 EDADLP CC[C@H](C)[C@H](O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114949613 138310858 /nfs/dbraw/zinc/31/08/58/138310858.db2.gz AMFSVOPBJYMTNW-WMLDXEAASA-N 2 2 340.512 1.251 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)[C@@H]1c1ccccc1 ZINC000413394019 304059970 /nfs/dbraw/zinc/05/99/70/304059970.db2.gz AJUKCEJMYVHILX-MHORFTMASA-N 2 2 344.459 1.156 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)[C@@H]1c1ccccc1 ZINC000413394019 304059971 /nfs/dbraw/zinc/05/99/71/304059971.db2.gz AJUKCEJMYVHILX-MHORFTMASA-N 2 2 344.459 1.156 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)[C@@H]1c1ccccc1 ZINC000413394019 304059973 /nfs/dbraw/zinc/05/99/73/304059973.db2.gz AJUKCEJMYVHILX-MHORFTMASA-N 2 2 344.459 1.156 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)[C@@H]1c1ccccc1 ZINC000413394019 304059974 /nfs/dbraw/zinc/05/99/74/304059974.db2.gz AJUKCEJMYVHILX-MHORFTMASA-N 2 2 344.459 1.156 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000124854295 138330057 /nfs/dbraw/zinc/33/00/57/138330057.db2.gz GWTWQCYONBRUSW-MRXNPFEDSA-N 2 2 326.485 1.130 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000124854295 138330058 /nfs/dbraw/zinc/33/00/58/138330058.db2.gz GWTWQCYONBRUSW-MRXNPFEDSA-N 2 2 326.485 1.130 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCOc2ccc(F)cc2)CC[N@@H+]1C ZINC000124031561 138323315 /nfs/dbraw/zinc/32/33/15/138323315.db2.gz GWXPWDRQOHALKK-ZBFHGGJFSA-N 2 2 337.439 1.735 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCOc2ccc(F)cc2)CC[N@H+]1C ZINC000124031561 138323316 /nfs/dbraw/zinc/32/33/16/138323316.db2.gz GWXPWDRQOHALKK-ZBFHGGJFSA-N 2 2 337.439 1.735 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCCOc2ccc(F)cc2)CC[NH+]1C ZINC000124031561 138323317 /nfs/dbraw/zinc/32/33/17/138323317.db2.gz GWXPWDRQOHALKK-ZBFHGGJFSA-N 2 2 337.439 1.735 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCCOc2ccc(F)cc2)CC[NH+]1C ZINC000124031561 138323318 /nfs/dbraw/zinc/32/33/18/138323318.db2.gz GWXPWDRQOHALKK-ZBFHGGJFSA-N 2 2 337.439 1.735 20 0 EDADLP CC[NH+]1CCC(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000563868918 306350557 /nfs/dbraw/zinc/35/05/57/306350557.db2.gz XMKHJYPSHPHYGS-WBVHZDCISA-N 2 2 338.496 1.223 20 0 EDADLP CC1CCC(O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000563953610 306353170 /nfs/dbraw/zinc/35/31/70/306353170.db2.gz LCEOQSVMUIZCSN-BFYSWAEVSA-N 2 2 337.508 1.601 20 0 EDADLP CC1CCC(O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000563953610 306353171 /nfs/dbraw/zinc/35/31/71/306353171.db2.gz LCEOQSVMUIZCSN-BFYSWAEVSA-N 2 2 337.508 1.601 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311035606 283364774 /nfs/dbraw/zinc/36/47/74/283364774.db2.gz ODFVSNJAQZNGEQ-BHYGNILZSA-N 2 2 344.459 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311035606 283364775 /nfs/dbraw/zinc/36/47/75/283364775.db2.gz ODFVSNJAQZNGEQ-BHYGNILZSA-N 2 2 344.459 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311035606 283364776 /nfs/dbraw/zinc/36/47/76/283364776.db2.gz ODFVSNJAQZNGEQ-BHYGNILZSA-N 2 2 344.459 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311035606 283364777 /nfs/dbraw/zinc/36/47/77/283364777.db2.gz ODFVSNJAQZNGEQ-BHYGNILZSA-N 2 2 344.459 1.284 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000564716026 306363245 /nfs/dbraw/zinc/36/32/45/306363245.db2.gz BLVBFQIZAWUJQT-MSOLQXFVSA-N 2 2 339.443 1.967 20 0 EDADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000422912459 296000222 /nfs/dbraw/zinc/00/02/22/296000222.db2.gz WDYFJYNFHWJYIM-WMZOPIPTSA-N 3 2 338.540 1.830 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000071146338 202339353 /nfs/dbraw/zinc/33/93/53/202339353.db2.gz PBTQDMONUPRZJW-LLVKDONJSA-N 2 2 326.238 1.929 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000071146338 202339356 /nfs/dbraw/zinc/33/93/56/202339356.db2.gz PBTQDMONUPRZJW-LLVKDONJSA-N 2 2 326.238 1.929 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959644 306371434 /nfs/dbraw/zinc/37/14/34/306371434.db2.gz GORPDHCVFKWKHQ-ICSRJNTNSA-N 3 2 329.488 1.840 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959644 306371435 /nfs/dbraw/zinc/37/14/35/306371435.db2.gz GORPDHCVFKWKHQ-ICSRJNTNSA-N 3 2 329.488 1.840 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959644 306371436 /nfs/dbraw/zinc/37/14/36/306371436.db2.gz GORPDHCVFKWKHQ-ICSRJNTNSA-N 3 2 329.488 1.840 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959644 306371437 /nfs/dbraw/zinc/37/14/37/306371437.db2.gz GORPDHCVFKWKHQ-ICSRJNTNSA-N 3 2 329.488 1.840 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000565159357 306376635 /nfs/dbraw/zinc/37/66/35/306376635.db2.gz YWLJFXKYYLINDP-CABCVRRESA-N 2 2 333.432 1.394 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000565159357 306376636 /nfs/dbraw/zinc/37/66/36/306376636.db2.gz YWLJFXKYYLINDP-CABCVRRESA-N 2 2 333.432 1.394 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@]1(O)C[NH+]3CCC1CC3)CC2 ZINC000565196986 306377404 /nfs/dbraw/zinc/37/74/04/306377404.db2.gz NARIDYUSCOVAPP-YJYMSZOUSA-N 2 2 346.475 1.211 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414120441 304101149 /nfs/dbraw/zinc/10/11/49/304101149.db2.gz CICWTPUMDRRIRU-CYBMUJFWSA-N 2 2 336.461 1.578 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000565420743 306383504 /nfs/dbraw/zinc/38/35/04/306383504.db2.gz OLPXUDRFTSJOCA-RKVPGOIHSA-N 2 2 347.459 1.324 20 0 EDADLP Cc1nnc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)[nH]1 ZINC000565634506 306387941 /nfs/dbraw/zinc/38/79/41/306387941.db2.gz DJZZGAUJFLHTGH-KBPBESRZSA-N 2 2 337.468 1.203 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000414329899 304107036 /nfs/dbraw/zinc/10/70/36/304107036.db2.gz BVFPSHPHYPOZRP-ZIAGYGMSSA-N 2 2 325.478 1.696 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000414329899 304107038 /nfs/dbraw/zinc/10/70/38/304107038.db2.gz BVFPSHPHYPOZRP-ZIAGYGMSSA-N 2 2 325.478 1.696 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000565646385 306388728 /nfs/dbraw/zinc/38/87/28/306388728.db2.gz GNWOOAUKRSNAKN-USXIJHARSA-N 2 2 334.439 1.746 20 0 EDADLP C[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000359000567 296054251 /nfs/dbraw/zinc/05/42/51/296054251.db2.gz ZUOVJWMRSSAYCR-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c(C)n2-c2ccccc2)CC[N@H+](C)C1 ZINC000414489790 304119673 /nfs/dbraw/zinc/11/96/73/304119673.db2.gz NMFHDPYBPNQBJQ-INIZCTEOSA-N 2 2 342.443 1.717 20 0 EDADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c(C)n2-c2ccccc2)CC[N@@H+](C)C1 ZINC000414489790 304119675 /nfs/dbraw/zinc/11/96/75/304119675.db2.gz NMFHDPYBPNQBJQ-INIZCTEOSA-N 2 2 342.443 1.717 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CO1 ZINC000566166456 306401302 /nfs/dbraw/zinc/40/13/02/306401302.db2.gz AFKZKVJUFCHJGL-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1C ZINC000414833772 304145942 /nfs/dbraw/zinc/14/59/42/304145942.db2.gz QCOZGOKAENBJNN-KRWDZBQOSA-N 2 2 330.432 1.853 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cn2)CC1 ZINC000414837719 304146545 /nfs/dbraw/zinc/14/65/45/304146545.db2.gz JQBZQSDDBUSKHM-KRWDZBQOSA-N 3 2 332.496 1.226 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000072858688 203248961 /nfs/dbraw/zinc/24/89/61/203248961.db2.gz NOODZQIWFQHNGH-CYBMUJFWSA-N 2 2 338.477 1.348 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000072858688 203248963 /nfs/dbraw/zinc/24/89/63/203248963.db2.gz NOODZQIWFQHNGH-CYBMUJFWSA-N 2 2 338.477 1.348 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000072858688 203248965 /nfs/dbraw/zinc/24/89/65/203248965.db2.gz NOODZQIWFQHNGH-CYBMUJFWSA-N 2 2 338.477 1.348 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000072858688 203248967 /nfs/dbraw/zinc/24/89/67/203248967.db2.gz NOODZQIWFQHNGH-CYBMUJFWSA-N 2 2 338.477 1.348 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073132261 203257523 /nfs/dbraw/zinc/25/75/23/203257523.db2.gz OEEUHGSDQMWYRM-UHFFFAOYSA-N 2 2 344.459 1.826 20 0 EDADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)no1 ZINC000069857543 203375034 /nfs/dbraw/zinc/37/50/34/203375034.db2.gz XTMCSTCTESSJOK-OAHLLOKOSA-N 2 2 336.436 1.356 20 0 EDADLP Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)no1 ZINC000069857543 203375039 /nfs/dbraw/zinc/37/50/39/203375039.db2.gz XTMCSTCTESSJOK-OAHLLOKOSA-N 2 2 336.436 1.356 20 0 EDADLP Brc1cc2c(c(C[NH2+]C[C@H]3C[NH2+]CCO3)c1)OCC2 ZINC000415098177 304159475 /nfs/dbraw/zinc/15/94/75/304159475.db2.gz VBBBAZQIEJZENL-CYBMUJFWSA-N 2 2 327.222 1.462 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000104776919 204119048 /nfs/dbraw/zinc/11/90/48/204119048.db2.gz NJUUEASKAWPJPJ-GJZGRUSLSA-N 2 2 336.436 1.046 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000104776919 204119053 /nfs/dbraw/zinc/11/90/53/204119053.db2.gz NJUUEASKAWPJPJ-GJZGRUSLSA-N 2 2 336.436 1.046 20 0 EDADLP CCCNC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104087812 204094864 /nfs/dbraw/zinc/09/48/64/204094864.db2.gz QLEJTBMPYRGWGL-UHFFFAOYSA-N 2 2 332.492 1.262 20 0 EDADLP CCCNC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087812 204094869 /nfs/dbraw/zinc/09/48/69/204094869.db2.gz QLEJTBMPYRGWGL-UHFFFAOYSA-N 2 2 332.492 1.262 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCOCC1 ZINC000105300086 204142614 /nfs/dbraw/zinc/14/26/14/204142614.db2.gz RJDUBPLKPMRGPG-JKSUJKDBSA-N 2 2 347.463 1.022 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119661807 204206750 /nfs/dbraw/zinc/20/67/50/204206750.db2.gz RFWSTWLCTGDSOL-VPSFDDGASA-N 2 2 336.524 1.532 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119661807 204206755 /nfs/dbraw/zinc/20/67/55/204206755.db2.gz RFWSTWLCTGDSOL-VPSFDDGASA-N 2 2 336.524 1.532 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119661807 204206758 /nfs/dbraw/zinc/20/67/58/204206758.db2.gz RFWSTWLCTGDSOL-VPSFDDGASA-N 2 2 336.524 1.532 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119661807 204206761 /nfs/dbraw/zinc/20/67/61/204206761.db2.gz RFWSTWLCTGDSOL-VPSFDDGASA-N 2 2 336.524 1.532 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796471 204293403 /nfs/dbraw/zinc/29/34/03/204293403.db2.gz QUDYTKWGZHTAMP-GDBMZVCRSA-N 2 2 347.463 1.925 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000111456334 204359132 /nfs/dbraw/zinc/35/91/32/204359132.db2.gz YICRCYKVQQTPPR-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000111456334 204359135 /nfs/dbraw/zinc/35/91/35/204359135.db2.gz YICRCYKVQQTPPR-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP CCC[C@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000236925100 139035304 /nfs/dbraw/zinc/03/53/04/139035304.db2.gz AYLGRPMWNXXPMF-JKSUJKDBSA-N 2 2 346.431 1.770 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237028697 139038507 /nfs/dbraw/zinc/03/85/07/139038507.db2.gz OGBYGRIEOTZGJY-QGZVFWFLSA-N 2 2 346.475 1.089 20 0 EDADLP C[NH2+]CCCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000237139272 139041932 /nfs/dbraw/zinc/04/19/32/139041932.db2.gz XTZXOVBHGXWFLY-UHFFFAOYSA-N 2 2 339.867 1.863 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCCCC1 ZINC000237204015 139043992 /nfs/dbraw/zinc/04/39/92/139043992.db2.gz OBCDDMDEGDDLEZ-IAGOWNOFSA-N 2 2 347.459 1.327 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000237283545 139046557 /nfs/dbraw/zinc/04/65/57/139046557.db2.gz KHWPCSRSIVTWKV-SFHVURJKSA-N 2 2 349.475 1.592 20 0 EDADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)[C@H]1CCCO1 ZINC000237329404 139048097 /nfs/dbraw/zinc/04/80/97/139048097.db2.gz NPGQIDDUDGZYPB-FHLIZLRMSA-N 2 2 342.443 1.485 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127797829 205117625 /nfs/dbraw/zinc/11/76/25/205117625.db2.gz FRKXGZHDHAYTDA-OAHLLOKOSA-N 2 2 325.416 1.825 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128598851 205154176 /nfs/dbraw/zinc/15/41/76/205154176.db2.gz AYSTZSVCDARDBH-INIZCTEOSA-N 2 2 342.447 1.897 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000237441286 139051313 /nfs/dbraw/zinc/05/13/13/139051313.db2.gz MXGDQAQSFKPLMG-FMKPAKJESA-N 2 2 332.448 1.454 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000567462924 306452909 /nfs/dbraw/zinc/45/29/09/306452909.db2.gz MVFPEALFMPKXGA-GRDNDAEWSA-N 2 2 337.489 1.875 20 0 EDADLP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1COCC[NH2+]1 ZINC000237904860 139063378 /nfs/dbraw/zinc/06/33/78/139063378.db2.gz BQWXREGMYKDLCJ-SFHVURJKSA-N 2 2 344.459 1.146 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000237880589 139062680 /nfs/dbraw/zinc/06/26/80/139062680.db2.gz MYVMHQYGBPMPTG-QZTJIDSGSA-N 2 2 331.460 1.627 20 0 EDADLP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081238389 217373720 /nfs/dbraw/zinc/37/37/20/217373720.db2.gz JZHOJMROUCMXRL-KRWDZBQOSA-N 2 2 332.448 1.098 20 0 EDADLP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081238389 217373721 /nfs/dbraw/zinc/37/37/21/217373721.db2.gz JZHOJMROUCMXRL-KRWDZBQOSA-N 2 2 332.448 1.098 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000567673496 306458059 /nfs/dbraw/zinc/45/80/59/306458059.db2.gz NGKMECZXODMUIF-ZDUSSCGKSA-N 2 2 343.431 1.462 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000245434586 139074443 /nfs/dbraw/zinc/07/44/43/139074443.db2.gz CJKKVTLCUZLFMI-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000245434586 139074444 /nfs/dbraw/zinc/07/44/44/139074444.db2.gz CJKKVTLCUZLFMI-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000245434586 139074445 /nfs/dbraw/zinc/07/44/45/139074445.db2.gz CJKKVTLCUZLFMI-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000245434586 139074446 /nfs/dbraw/zinc/07/44/46/139074446.db2.gz CJKKVTLCUZLFMI-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP [NH3+]C1CCC(OCC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000567788350 306463337 /nfs/dbraw/zinc/46/33/37/306463337.db2.gz UEQHKYUKIQHKNM-UHFFFAOYSA-N 2 2 332.448 1.012 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159238673 206232008 /nfs/dbraw/zinc/23/20/08/206232008.db2.gz LJFRGKORMOLTSF-MRXNPFEDSA-N 2 2 343.475 1.393 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159238673 206232012 /nfs/dbraw/zinc/23/20/12/206232012.db2.gz LJFRGKORMOLTSF-MRXNPFEDSA-N 2 2 343.475 1.393 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000246016448 139092383 /nfs/dbraw/zinc/09/23/83/139092383.db2.gz MTLPLPBUXASPKT-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000246016448 139092384 /nfs/dbraw/zinc/09/23/84/139092384.db2.gz MTLPLPBUXASPKT-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000246016448 139092385 /nfs/dbraw/zinc/09/23/85/139092385.db2.gz MTLPLPBUXASPKT-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000246016448 139092386 /nfs/dbraw/zinc/09/23/86/139092386.db2.gz MTLPLPBUXASPKT-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246128251 139095944 /nfs/dbraw/zinc/09/59/44/139095944.db2.gz INXWYUYVESFHNA-CABCVRRESA-N 2 2 338.496 1.807 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246128251 139095945 /nfs/dbraw/zinc/09/59/45/139095945.db2.gz INXWYUYVESFHNA-CABCVRRESA-N 2 2 338.496 1.807 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246128251 139095946 /nfs/dbraw/zinc/09/59/46/139095946.db2.gz INXWYUYVESFHNA-CABCVRRESA-N 2 2 338.496 1.807 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246128251 139095947 /nfs/dbraw/zinc/09/59/47/139095947.db2.gz INXWYUYVESFHNA-CABCVRRESA-N 2 2 338.496 1.807 20 0 EDADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246152490 139096784 /nfs/dbraw/zinc/09/67/84/139096784.db2.gz VTZXFROTDQRVNA-MOPGFXCFSA-N 2 2 342.487 1.015 20 0 EDADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000246152490 139096785 /nfs/dbraw/zinc/09/67/85/139096785.db2.gz VTZXFROTDQRVNA-MOPGFXCFSA-N 2 2 342.487 1.015 20 0 EDADLP c1nc(N2CCC[C@H]([NH2+][C@H]3CCSC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000246517056 139111613 /nfs/dbraw/zinc/11/16/13/139111613.db2.gz UKZKPDOXHPQEPV-GJZGRUSLSA-N 2 2 349.504 1.377 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000103100593 206393698 /nfs/dbraw/zinc/39/36/98/206393698.db2.gz JKCQGBASQDNORK-INIZCTEOSA-N 2 2 335.452 1.028 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000103100593 206393702 /nfs/dbraw/zinc/39/37/02/206393702.db2.gz JKCQGBASQDNORK-INIZCTEOSA-N 2 2 335.452 1.028 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000247169009 139138545 /nfs/dbraw/zinc/13/85/45/139138545.db2.gz MTOGMOBQGDPILL-OCCSQVGLSA-N 2 2 333.436 1.459 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000247169009 139138546 /nfs/dbraw/zinc/13/85/46/139138546.db2.gz MTOGMOBQGDPILL-OCCSQVGLSA-N 2 2 333.436 1.459 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247282012 139143602 /nfs/dbraw/zinc/14/36/02/139143602.db2.gz SVYGKQNKGAEFPP-NVXWUHKLSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247282012 139143603 /nfs/dbraw/zinc/14/36/03/139143603.db2.gz SVYGKQNKGAEFPP-NVXWUHKLSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247282012 139143604 /nfs/dbraw/zinc/14/36/04/139143604.db2.gz SVYGKQNKGAEFPP-NVXWUHKLSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247282012 139143605 /nfs/dbraw/zinc/14/36/05/139143605.db2.gz SVYGKQNKGAEFPP-NVXWUHKLSA-N 2 2 345.443 1.828 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CN1CCOCC1 ZINC000247930294 139155811 /nfs/dbraw/zinc/15/58/11/139155811.db2.gz BZIHRKBFJMIRGQ-QWFCFKBJSA-N 2 2 346.519 1.850 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CN1CCOCC1 ZINC000247930294 139155812 /nfs/dbraw/zinc/15/58/12/139155812.db2.gz BZIHRKBFJMIRGQ-QWFCFKBJSA-N 2 2 346.519 1.850 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@H]21 ZINC000248136936 139158594 /nfs/dbraw/zinc/15/85/94/139158594.db2.gz PFEXTKFRPYTKBV-WMLDXEAASA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@H]21 ZINC000248136936 139158595 /nfs/dbraw/zinc/15/85/95/139158595.db2.gz PFEXTKFRPYTKBV-WMLDXEAASA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@H]21 ZINC000248136936 139158596 /nfs/dbraw/zinc/15/85/96/139158596.db2.gz PFEXTKFRPYTKBV-WMLDXEAASA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@H]21 ZINC000248136936 139158597 /nfs/dbraw/zinc/15/85/97/139158597.db2.gz PFEXTKFRPYTKBV-WMLDXEAASA-N 2 2 337.414 1.997 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000261624388 139212183 /nfs/dbraw/zinc/21/21/83/139212183.db2.gz BEXFOAMNTFTBLQ-YALNPMBYSA-N 2 2 346.475 1.686 20 0 EDADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1[nH+]ccn1CC(F)(F)F ZINC000261693171 139218077 /nfs/dbraw/zinc/21/80/77/139218077.db2.gz FJEVQWQDRVPCEB-NSHDSACASA-N 2 2 328.342 1.325 20 0 EDADLP CC(C)c1cccc(NC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261773883 139224829 /nfs/dbraw/zinc/22/48/29/139224829.db2.gz XEZVEPVXCNNSEE-GOSISDBHSA-N 2 2 330.476 1.728 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1CCC[NH2+]C1 ZINC000261819202 139228834 /nfs/dbraw/zinc/22/88/34/139228834.db2.gz IFFINPZDAQECNE-CQSZACIVSA-N 2 2 333.432 1.718 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1CCC[NH2+]C1 ZINC000261819202 139228835 /nfs/dbraw/zinc/22/88/35/139228835.db2.gz IFFINPZDAQECNE-CQSZACIVSA-N 2 2 333.432 1.718 20 0 EDADLP c1csc(-c2noc(CN3CC[NH+](C[C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000262013903 139243929 /nfs/dbraw/zinc/24/39/29/139243929.db2.gz VKSQAAVLNKJXPX-AWEZNQCLSA-N 2 2 347.488 1.915 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CN1CC[NH+]1CCOCC1 ZINC000172697407 284833920 /nfs/dbraw/zinc/83/39/20/284833920.db2.gz YRUYOSBBNMAOKD-MRXNPFEDSA-N 2 2 337.851 1.363 20 0 EDADLP CC(C)N(C)c1cnn([C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)c(=O)c1 ZINC000262080970 139249359 /nfs/dbraw/zinc/24/93/59/139249359.db2.gz TVYDJCNVEAXAMK-VQIMIIECSA-N 2 2 347.507 1.724 20 0 EDADLP CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)c(=O)c1 ZINC000262080970 139249360 /nfs/dbraw/zinc/24/93/60/139249360.db2.gz TVYDJCNVEAXAMK-VQIMIIECSA-N 2 2 347.507 1.724 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262100067 139250848 /nfs/dbraw/zinc/25/08/48/139250848.db2.gz VMCGENRSXMXHQV-AWEZNQCLSA-N 2 2 332.370 1.855 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262100067 139250849 /nfs/dbraw/zinc/25/08/49/139250849.db2.gz VMCGENRSXMXHQV-AWEZNQCLSA-N 2 2 332.370 1.855 20 0 EDADLP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000416149287 251053861 /nfs/dbraw/zinc/05/38/61/251053861.db2.gz GRPGYPJRMFCBMO-XYJFISCASA-N 2 2 333.476 1.905 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000416441761 251069379 /nfs/dbraw/zinc/06/93/79/251069379.db2.gz WGGXVKXPLDGAHP-GOSISDBHSA-N 2 2 342.443 1.471 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000416878779 251115485 /nfs/dbraw/zinc/11/54/85/251115485.db2.gz CIXNEXHGRGSLKL-JQHSSLGASA-N 2 2 346.475 1.357 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)c[nH+]1 ZINC000416990899 251118728 /nfs/dbraw/zinc/11/87/28/251118728.db2.gz PQFLPPHRGSJDCH-KRWDZBQOSA-N 2 2 337.443 1.771 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416998942 251125473 /nfs/dbraw/zinc/12/54/73/251125473.db2.gz SUXHOUZXPYIQJI-QGZVFWFLSA-N 2 2 327.432 1.873 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N(CC[NH3+])CCc2ccccc2)CCO1 ZINC000417412225 251164471 /nfs/dbraw/zinc/16/44/71/251164471.db2.gz FMWJRGWCTCFXHV-UHFFFAOYSA-N 2 2 348.491 1.310 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N(CC[NH3+])CCc2ccccc2)CCO1 ZINC000417412225 251164473 /nfs/dbraw/zinc/16/44/73/251164473.db2.gz FMWJRGWCTCFXHV-UHFFFAOYSA-N 2 2 348.491 1.310 20 0 EDADLP Cc1cc(Br)cn2cc(CCNC3=[NH+]CCCN3)[nH+]c12 ZINC000262349693 139272279 /nfs/dbraw/zinc/27/22/79/139272279.db2.gz FOWSQSMVONZGIK-UHFFFAOYSA-N 2 2 336.237 1.887 20 0 EDADLP C[NH2+][C@@H](C(=O)N1CC[NH+](Cc2ccccc2C)CC1)c1cnn(C)c1 ZINC000262354233 139272615 /nfs/dbraw/zinc/27/26/15/139272615.db2.gz JMTSDEPWPKNUKH-GOSISDBHSA-N 2 2 341.459 1.333 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000569459556 306508279 /nfs/dbraw/zinc/50/82/79/306508279.db2.gz WKUYLRUHQAEVSJ-AWEZNQCLSA-N 2 2 342.447 1.457 20 0 EDADLP CCn1nncc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000417869159 251306259 /nfs/dbraw/zinc/30/62/59/251306259.db2.gz HKTYJYRJWLJLEY-HNNXBMFYSA-N 2 2 329.448 1.809 20 0 EDADLP CCn1nncc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000417869159 251306261 /nfs/dbraw/zinc/30/62/61/251306261.db2.gz HKTYJYRJWLJLEY-HNNXBMFYSA-N 2 2 329.448 1.809 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262623692 139291008 /nfs/dbraw/zinc/29/10/08/139291008.db2.gz KLVIYHQLFKGDAH-RVKKMQEKSA-N 2 2 348.466 1.580 20 0 EDADLP C[NH2+][C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cnn(C)c1 ZINC000262618956 139290529 /nfs/dbraw/zinc/29/05/29/139290529.db2.gz ZIHKAKICHJZGCM-QGZVFWFLSA-N 2 2 342.447 1.382 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000262692850 139296759 /nfs/dbraw/zinc/29/67/59/139296759.db2.gz APTBQICDKSEFCL-AWEZNQCLSA-N 2 2 327.375 1.240 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262850909 139308026 /nfs/dbraw/zinc/30/80/26/139308026.db2.gz SGVNTCLOUMUIGX-VKJFTORMSA-N 2 2 348.466 1.450 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000422791146 251977320 /nfs/dbraw/zinc/97/73/20/251977320.db2.gz VNHRHKLPFMYQGC-QRVBRYPASA-N 2 2 346.519 1.554 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCOC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423074005 252035339 /nfs/dbraw/zinc/03/53/39/252035339.db2.gz KNONZQWVTXINGI-IRXDYDNUSA-N 2 2 340.489 1.727 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)[N@@H+]1CCc2ccccc2C1 ZINC000423356765 252052019 /nfs/dbraw/zinc/05/20/19/252052019.db2.gz KKCKNIJHOFXDFP-MLGOLLRUSA-N 2 2 330.457 1.706 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)[N@H+]1CCc2ccccc2C1 ZINC000423356765 252052022 /nfs/dbraw/zinc/05/20/22/252052022.db2.gz KKCKNIJHOFXDFP-MLGOLLRUSA-N 2 2 330.457 1.706 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000423514286 252058382 /nfs/dbraw/zinc/05/83/82/252058382.db2.gz MIIMKENKIXDLDQ-XJKSGUPXSA-N 2 2 340.493 1.002 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422992458 252022925 /nfs/dbraw/zinc/02/29/25/252022925.db2.gz CMSXQGPVAXGWAG-VXGBXAGGSA-N 2 2 333.354 1.836 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000423863386 252096727 /nfs/dbraw/zinc/09/67/27/252096727.db2.gz HXHXAFODWSVHTO-RDTXWAMCSA-N 2 2 331.460 1.889 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000423863386 252096733 /nfs/dbraw/zinc/09/67/33/252096733.db2.gz HXHXAFODWSVHTO-RDTXWAMCSA-N 2 2 331.460 1.889 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)cc1 ZINC000424004281 252111704 /nfs/dbraw/zinc/11/17/04/252111704.db2.gz VFDCTGKZWALEPA-SJLPKXTDSA-N 2 2 339.443 1.518 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)cc1 ZINC000424004281 252111707 /nfs/dbraw/zinc/11/17/07/252111707.db2.gz VFDCTGKZWALEPA-SJLPKXTDSA-N 2 2 339.443 1.518 20 0 EDADLP Cc1cc(F)c(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000424157533 252147790 /nfs/dbraw/zinc/14/77/90/252147790.db2.gz PTIOIPZBQRRDPT-CYBMUJFWSA-N 2 2 325.403 1.950 20 0 EDADLP Cc1cc(F)c(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000424157533 252147792 /nfs/dbraw/zinc/14/77/92/252147792.db2.gz PTIOIPZBQRRDPT-CYBMUJFWSA-N 2 2 325.403 1.950 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000263247136 139330712 /nfs/dbraw/zinc/33/07/12/139330712.db2.gz IDQGIGWDKGZDTP-JQHSSLGASA-N 2 2 331.460 1.646 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000112358335 220313084 /nfs/dbraw/zinc/31/30/84/220313084.db2.gz FHJMBDOBCLWONF-QGZVFWFLSA-N 2 2 338.540 1.639 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263316074 139335382 /nfs/dbraw/zinc/33/53/82/139335382.db2.gz ZKYHWOORUXWSBT-HZPDHXFCSA-N 2 2 337.414 1.664 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263316074 139335383 /nfs/dbraw/zinc/33/53/83/139335383.db2.gz ZKYHWOORUXWSBT-HZPDHXFCSA-N 2 2 337.414 1.664 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263316072 139335459 /nfs/dbraw/zinc/33/54/59/139335459.db2.gz ZKYHWOORUXWSBT-HOTGVXAUSA-N 2 2 337.414 1.664 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263316072 139335460 /nfs/dbraw/zinc/33/54/60/139335460.db2.gz ZKYHWOORUXWSBT-HOTGVXAUSA-N 2 2 337.414 1.664 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000112636393 220360769 /nfs/dbraw/zinc/36/07/69/220360769.db2.gz JCZZRDGYHJNAHY-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000112636393 220360773 /nfs/dbraw/zinc/36/07/73/220360773.db2.gz JCZZRDGYHJNAHY-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC000487110092 255026642 /nfs/dbraw/zinc/02/66/42/255026642.db2.gz HVZQWMVUJWOERH-INIZCTEOSA-N 2 2 333.480 1.744 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC000487110092 255026643 /nfs/dbraw/zinc/02/66/43/255026643.db2.gz HVZQWMVUJWOERH-INIZCTEOSA-N 2 2 333.480 1.744 20 0 EDADLP CO[C@@H]1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)[C@H](C[NH3+])C1 ZINC000493743063 255220366 /nfs/dbraw/zinc/22/03/66/255220366.db2.gz BZUJILLULVADJJ-BNESGYTRSA-N 2 2 340.427 1.850 20 0 EDADLP O=C(/C=C\c1ccccc1)NCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000493744443 255220407 /nfs/dbraw/zinc/22/04/07/255220407.db2.gz YNMDBEFYCYTZQL-XHGSAQPOSA-N 2 2 343.471 1.563 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493872607 255223941 /nfs/dbraw/zinc/22/39/41/255223941.db2.gz SISBFGHPPAHTFA-AWFCHZOYSA-N 2 2 325.416 1.798 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493872607 255223942 /nfs/dbraw/zinc/22/39/42/255223942.db2.gz SISBFGHPPAHTFA-AWFCHZOYSA-N 2 2 325.416 1.798 20 0 EDADLP O=C1N[C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]2CO1 ZINC000496040207 255345443 /nfs/dbraw/zinc/34/54/43/255345443.db2.gz FWZMXJJUEZNKHR-MSOLQXFVSA-N 2 2 345.443 1.449 20 0 EDADLP O=C1N[C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]2CO1 ZINC000496040207 255345444 /nfs/dbraw/zinc/34/54/44/255345444.db2.gz FWZMXJJUEZNKHR-MSOLQXFVSA-N 2 2 345.443 1.449 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496387007 255390499 /nfs/dbraw/zinc/39/04/99/255390499.db2.gz SACBFUQAEFDMOE-NRXISQOPSA-N 2 2 327.469 1.743 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496387007 255390500 /nfs/dbraw/zinc/39/05/00/255390500.db2.gz SACBFUQAEFDMOE-NRXISQOPSA-N 2 2 327.469 1.743 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000496474407 255396079 /nfs/dbraw/zinc/39/60/79/255396079.db2.gz CFYXNYWUBARPDA-HZPDHXFCSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000496474407 255396080 /nfs/dbraw/zinc/39/60/80/255396080.db2.gz CFYXNYWUBARPDA-HZPDHXFCSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000496474407 255396081 /nfs/dbraw/zinc/39/60/81/255396081.db2.gz CFYXNYWUBARPDA-HZPDHXFCSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000496474407 255396082 /nfs/dbraw/zinc/39/60/82/255396082.db2.gz CFYXNYWUBARPDA-HZPDHXFCSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)Cn1cc[nH+]c1 ZINC000570582413 306545794 /nfs/dbraw/zinc/54/57/94/306545794.db2.gz VROPIDRIOJRSGK-GDBMZVCRSA-N 2 2 336.505 1.853 20 0 EDADLP O[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)COCC1CC1 ZINC000119216908 221268406 /nfs/dbraw/zinc/26/84/06/221268406.db2.gz VILOOFUINSYPPR-AWEZNQCLSA-N 2 2 340.387 1.410 20 0 EDADLP Cc1cc(NC(=O)N(C)C[C@@H](O)C[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000415465624 291950648 /nfs/dbraw/zinc/95/06/48/291950648.db2.gz SIHXHMNBFHBBQI-ZFWWWQNUSA-N 2 2 335.452 1.552 20 0 EDADLP COc1c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(C)nn1C ZINC000328636997 258024850 /nfs/dbraw/zinc/02/48/50/258024850.db2.gz OKNNZAMYCCJCLC-RDJZCZTQSA-N 2 2 329.448 1.915 20 0 EDADLP COc1c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(C)nn1C ZINC000328636997 258024852 /nfs/dbraw/zinc/02/48/52/258024852.db2.gz OKNNZAMYCCJCLC-RDJZCZTQSA-N 2 2 329.448 1.915 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000264306878 139395640 /nfs/dbraw/zinc/39/56/40/139395640.db2.gz YMJJIHPGUHOIAW-CQSZACIVSA-N 2 2 342.509 1.570 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000270929722 140201236 /nfs/dbraw/zinc/20/12/36/140201236.db2.gz DYWGYFVCLSCHJC-INIZCTEOSA-N 2 2 346.475 1.656 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000271015182 140221379 /nfs/dbraw/zinc/22/13/79/140221379.db2.gz FIRWTQTXCBQGBI-SFHVURJKSA-N 2 2 345.487 1.608 20 0 EDADLP O=C(NCc1[nH]cc[nH+]1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271058580 140228587 /nfs/dbraw/zinc/22/85/87/140228587.db2.gz VKIIIWBOWGFRBL-UHFFFAOYSA-N 2 2 328.416 1.544 20 0 EDADLP O=C(C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000271327417 140278758 /nfs/dbraw/zinc/27/87/58/140278758.db2.gz YJERXQJSNFBDOJ-LJQANCHMSA-N 2 2 342.487 1.157 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CCc3cnccn3)c2cc1C ZINC000271385682 140288991 /nfs/dbraw/zinc/28/89/91/140288991.db2.gz UPJJTLCDXDINPP-QGZVFWFLSA-N 2 2 339.443 1.979 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CCc3cnccn3)c2cc1C ZINC000271385682 140288993 /nfs/dbraw/zinc/28/89/93/140288993.db2.gz UPJJTLCDXDINPP-QGZVFWFLSA-N 2 2 339.443 1.979 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[NH+](C(C)C)CC3)ccc2[nH+]1 ZINC000271602061 140318492 /nfs/dbraw/zinc/31/84/92/140318492.db2.gz LSQYGUPGTCEYFE-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CCN1c1nccn2cnnc12 ZINC000271782252 140349439 /nfs/dbraw/zinc/34/94/39/140349439.db2.gz HWUSFWHMWLSOPF-CQSZACIVSA-N 2 2 348.414 1.483 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CCN1c1nccn2cnnc12 ZINC000271782252 140349441 /nfs/dbraw/zinc/34/94/41/140349441.db2.gz HWUSFWHMWLSOPF-CQSZACIVSA-N 2 2 348.414 1.483 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCN1C ZINC000571897209 306577021 /nfs/dbraw/zinc/57/70/21/306577021.db2.gz FSUPXBPKZDTVQG-CABCVRRESA-N 2 2 348.495 1.196 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000572117644 306581741 /nfs/dbraw/zinc/58/17/41/306581741.db2.gz JCFKQRXJHXCZPS-LSDHHAIUSA-N 2 2 329.435 1.812 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C)[C@H]3C)ccc2[nH+]1 ZINC000332561030 141203496 /nfs/dbraw/zinc/20/34/96/141203496.db2.gz QOJFNRCTJUKQJK-QWHCGFSZSA-N 2 2 329.404 1.132 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C)[C@H]3C)ccc2[nH+]1 ZINC000332561030 141203497 /nfs/dbraw/zinc/20/34/97/141203497.db2.gz QOJFNRCTJUKQJK-QWHCGFSZSA-N 2 2 329.404 1.132 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CCCCC2)C[C@H]1C ZINC000332599743 141211994 /nfs/dbraw/zinc/21/19/94/141211994.db2.gz GPBGPDYOAIBRJC-GDBMZVCRSA-N 2 2 338.496 1.950 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CCCCC2)C[C@H]1C ZINC000332599743 141211995 /nfs/dbraw/zinc/21/19/95/141211995.db2.gz GPBGPDYOAIBRJC-GDBMZVCRSA-N 2 2 338.496 1.950 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC2CCCCC2)C[C@H]1C ZINC000332599743 141211996 /nfs/dbraw/zinc/21/19/96/141211996.db2.gz GPBGPDYOAIBRJC-GDBMZVCRSA-N 2 2 338.496 1.950 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC2CCCCC2)C[C@H]1C ZINC000332599743 141211998 /nfs/dbraw/zinc/21/19/98/141211998.db2.gz GPBGPDYOAIBRJC-GDBMZVCRSA-N 2 2 338.496 1.950 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000333087757 141261786 /nfs/dbraw/zinc/26/17/86/141261786.db2.gz BVTZURKFUNADFG-OAHLLOKOSA-N 2 2 347.463 1.832 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333507727 141328494 /nfs/dbraw/zinc/32/84/94/141328494.db2.gz FCEMTQLKJDZTQN-HNNXBMFYSA-N 2 2 331.464 1.751 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]cn1 ZINC000333539115 141333409 /nfs/dbraw/zinc/33/34/09/141333409.db2.gz NOSYWHMERCPXEX-SJORKVTESA-N 2 2 345.491 1.796 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc[nH+]1 ZINC000333539115 141333411 /nfs/dbraw/zinc/33/34/11/141333411.db2.gz NOSYWHMERCPXEX-SJORKVTESA-N 2 2 345.491 1.796 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000333661366 141352119 /nfs/dbraw/zinc/35/21/19/141352119.db2.gz XBHVBLYXXLXMJM-RCBQFDQVSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000333661366 141352120 /nfs/dbraw/zinc/35/21/20/141352120.db2.gz XBHVBLYXXLXMJM-RCBQFDQVSA-N 2 2 338.402 1.761 20 0 EDADLP c1[nH+]cn2c1C[C@@H](c1nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)CC2 ZINC000333749416 141372590 /nfs/dbraw/zinc/37/25/90/141372590.db2.gz SQRZCSAYHMSYRU-GZBFAFLISA-N 2 2 329.404 1.922 20 0 EDADLP c1[nH+]cn2c1C[C@@H](c1nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no1)CC2 ZINC000333749416 141372592 /nfs/dbraw/zinc/37/25/92/141372592.db2.gz SQRZCSAYHMSYRU-GZBFAFLISA-N 2 2 329.404 1.922 20 0 EDADLP CN(C)c1nc(N2CC[NH+](CCCO[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000338269008 141772415 /nfs/dbraw/zinc/77/24/15/141772415.db2.gz BSPHWMPAEXUVNZ-KRWDZBQOSA-N 2 2 349.479 1.598 20 0 EDADLP CS(=O)(=O)NCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000340214867 142306555 /nfs/dbraw/zinc/30/65/55/142306555.db2.gz ZTYRXSAFTAAGOR-UHFFFAOYSA-N 2 2 334.445 1.386 20 0 EDADLP CS(=O)(=O)NCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000340214867 142306557 /nfs/dbraw/zinc/30/65/57/142306557.db2.gz ZTYRXSAFTAAGOR-UHFFFAOYSA-N 2 2 334.445 1.386 20 0 EDADLP COC(=O)c1cccnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000340282768 142329469 /nfs/dbraw/zinc/32/94/69/142329469.db2.gz IHIZJEVVAMASNL-UHFFFAOYSA-N 2 2 347.459 1.945 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000344898049 143024782 /nfs/dbraw/zinc/02/47/82/143024782.db2.gz YAGPLZUTVWYDBU-HNNXBMFYSA-N 2 2 347.507 1.325 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000344898049 143024783 /nfs/dbraw/zinc/02/47/83/143024783.db2.gz YAGPLZUTVWYDBU-HNNXBMFYSA-N 2 2 347.507 1.325 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000345113328 143052039 /nfs/dbraw/zinc/05/20/39/143052039.db2.gz LZPOWXWWPNSOQB-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000345392684 143085753 /nfs/dbraw/zinc/08/57/53/143085753.db2.gz ODWOCAICBSPWPS-OWCLPIDISA-N 2 2 340.512 1.467 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)CC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000345631525 143114437 /nfs/dbraw/zinc/11/44/37/143114437.db2.gz CWHRGHUBLCZFIK-DLBZAZTESA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)CC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000345631525 143114438 /nfs/dbraw/zinc/11/44/38/143114438.db2.gz CWHRGHUBLCZFIK-DLBZAZTESA-N 2 2 333.476 1.734 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCCS1 ZINC000345674897 143119886 /nfs/dbraw/zinc/11/98/86/143119886.db2.gz ULQRDNDHGLVTFF-MRXNPFEDSA-N 2 2 342.553 1.940 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCCS1 ZINC000345674897 143119887 /nfs/dbraw/zinc/11/98/87/143119887.db2.gz ULQRDNDHGLVTFF-MRXNPFEDSA-N 2 2 342.553 1.940 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)c[nH+]2)CC1 ZINC000345693699 143122309 /nfs/dbraw/zinc/12/23/09/143122309.db2.gz OKBBLBOZVQKEOM-ZDUSSCGKSA-N 2 2 326.391 1.917 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CCC(F)(F)C2)([NH+]2CCCCC2)CC1 ZINC000345783766 143133014 /nfs/dbraw/zinc/13/30/14/143133014.db2.gz RUAUXXDWWHASBC-UHFFFAOYSA-N 2 2 344.450 1.987 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000346185745 143176385 /nfs/dbraw/zinc/17/63/85/143176385.db2.gz VSDZRAUSGXAZCP-UHFFFAOYSA-N 2 2 327.432 1.876 20 0 EDADLP C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCOCC1 ZINC000346512703 143212567 /nfs/dbraw/zinc/21/25/67/143212567.db2.gz ACUFVVXBOPBUDO-CZUORRHYSA-N 2 2 339.867 1.780 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC(=O)NCc1ccco1 ZINC000346514565 143212696 /nfs/dbraw/zinc/21/26/96/143212696.db2.gz VQRCLFUMDNDBLM-HNNXBMFYSA-N 2 2 344.371 1.154 20 0 EDADLP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC(=O)NCc1ccco1 ZINC000346514565 143212697 /nfs/dbraw/zinc/21/26/97/143212697.db2.gz VQRCLFUMDNDBLM-HNNXBMFYSA-N 2 2 344.371 1.154 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@H+](C)CCCN2CCOCC2)CCC[NH+]1C ZINC000346924070 143261717 /nfs/dbraw/zinc/26/17/17/143261717.db2.gz LRUCXDODMJMCFZ-HKUYNNGSSA-N 2 2 349.523 1.457 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)CCCN2CCOCC2)CCC[NH+]1C ZINC000346924070 143261718 /nfs/dbraw/zinc/26/17/18/143261718.db2.gz LRUCXDODMJMCFZ-HKUYNNGSSA-N 2 2 349.523 1.457 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)CCCN2CCOCC2)CCC[N@@H+]1C ZINC000346924070 143261719 /nfs/dbraw/zinc/26/17/19/143261719.db2.gz LRUCXDODMJMCFZ-HKUYNNGSSA-N 2 2 349.523 1.457 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)CCCN2CCOCC2)CCC[N@H+]1C ZINC000346924070 143261720 /nfs/dbraw/zinc/26/17/20/143261720.db2.gz LRUCXDODMJMCFZ-HKUYNNGSSA-N 2 2 349.523 1.457 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000347032880 143274147 /nfs/dbraw/zinc/27/41/47/143274147.db2.gz PXZQLYSLLITPRI-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](C)O[C@H](CO)C2)CC1 ZINC000347319139 143308009 /nfs/dbraw/zinc/30/80/09/143308009.db2.gz WDHRSOXYPIODFZ-WMZOPIPTSA-N 2 2 333.476 1.410 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](C)O[C@H](CO)C2)CC1 ZINC000347319139 143308010 /nfs/dbraw/zinc/30/80/10/143308010.db2.gz WDHRSOXYPIODFZ-WMZOPIPTSA-N 2 2 333.476 1.410 20 0 EDADLP CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ncc(C[NH+](C)C)s1)CC2 ZINC000347853571 143370381 /nfs/dbraw/zinc/37/03/81/143370381.db2.gz CCMHFVSALLNQIO-CABCVRRESA-N 2 2 339.505 1.957 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)s1 ZINC000347871265 143372804 /nfs/dbraw/zinc/37/28/04/143372804.db2.gz GOITXIURSVBJLS-AWEZNQCLSA-N 2 2 325.478 1.975 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000347968946 143385049 /nfs/dbraw/zinc/38/50/49/143385049.db2.gz RUFVJHHGKHYTQA-RDJZCZTQSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000347968946 143385050 /nfs/dbraw/zinc/38/50/50/143385050.db2.gz RUFVJHHGKHYTQA-RDJZCZTQSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347968946 143385051 /nfs/dbraw/zinc/38/50/51/143385051.db2.gz RUFVJHHGKHYTQA-RDJZCZTQSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347968946 143385052 /nfs/dbraw/zinc/38/50/52/143385052.db2.gz RUFVJHHGKHYTQA-RDJZCZTQSA-N 2 2 338.496 1.080 20 0 EDADLP COCCCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369754234 155163611 /nfs/dbraw/zinc/16/36/11/155163611.db2.gz IWKJJCNQSCIIOQ-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP COCCCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369754234 155163613 /nfs/dbraw/zinc/16/36/13/155163613.db2.gz IWKJJCNQSCIIOQ-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000237881559 292201282 /nfs/dbraw/zinc/20/12/82/292201282.db2.gz RZFRBDPZDSETNT-IEBWSBKVSA-N 2 2 331.460 1.484 20 0 EDADLP C[C@@H]1CSC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352788901 149166205 /nfs/dbraw/zinc/16/62/05/149166205.db2.gz BAUFHZUHHCRDKJ-CABCVRRESA-N 2 2 334.489 1.461 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)N1CC[NH+](C)CC1)C2 ZINC000352862465 149194419 /nfs/dbraw/zinc/19/44/19/149194419.db2.gz AQHMOZPBOUUDOR-CQSZACIVSA-N 2 2 333.480 1.064 20 0 EDADLP C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921725 149216119 /nfs/dbraw/zinc/21/61/19/149216119.db2.gz KWOBAAHMPOOZAI-MPBYHJMHSA-N 2 2 335.492 1.713 20 0 EDADLP C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921725 149216121 /nfs/dbraw/zinc/21/61/21/149216121.db2.gz KWOBAAHMPOOZAI-MPBYHJMHSA-N 2 2 335.492 1.713 20 0 EDADLP C[NH+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921725 149216123 /nfs/dbraw/zinc/21/61/23/149216123.db2.gz KWOBAAHMPOOZAI-MPBYHJMHSA-N 2 2 335.492 1.713 20 0 EDADLP C[NH+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921725 149216125 /nfs/dbraw/zinc/21/61/25/149216125.db2.gz KWOBAAHMPOOZAI-MPBYHJMHSA-N 2 2 335.492 1.713 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416902031 304355099 /nfs/dbraw/zinc/35/50/99/304355099.db2.gz CVOFWZJEWJCAOF-HIFRSBDPSA-N 2 2 331.420 1.555 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C[NH3+])C3)c[nH+]2)CC1 ZINC000416972866 304358067 /nfs/dbraw/zinc/35/80/67/304358067.db2.gz HPEKXANXWMNLQF-OAHLLOKOSA-N 2 2 331.464 1.808 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000573582386 306625654 /nfs/dbraw/zinc/62/56/54/306625654.db2.gz AAPMQPMUEKJSHB-RHSMWYFYSA-N 2 2 342.447 1.579 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000416976457 304359453 /nfs/dbraw/zinc/35/94/53/304359453.db2.gz QXRLTFGNRIEFHK-HNNXBMFYSA-N 2 2 333.480 1.973 20 0 EDADLP CO[C@](C)([C@@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000414240731 286149137 /nfs/dbraw/zinc/14/91/37/286149137.db2.gz NSHPFRHHLFSHOI-VQIMIIECSA-N 2 2 339.524 1.576 20 0 EDADLP CO[C@](C)([C@@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CC1 ZINC000414240731 286149138 /nfs/dbraw/zinc/14/91/38/286149138.db2.gz NSHPFRHHLFSHOI-VQIMIIECSA-N 2 2 339.524 1.576 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000354905786 150023668 /nfs/dbraw/zinc/02/36/68/150023668.db2.gz BMAGIXZKLZBFLB-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000354905786 150023671 /nfs/dbraw/zinc/02/36/71/150023671.db2.gz BMAGIXZKLZBFLB-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000354914820 150028224 /nfs/dbraw/zinc/02/82/24/150028224.db2.gz QVBCGLGWYBREED-JKSUJKDBSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000354914820 150028227 /nfs/dbraw/zinc/02/82/27/150028227.db2.gz QVBCGLGWYBREED-JKSUJKDBSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000354914820 150028230 /nfs/dbraw/zinc/02/82/30/150028230.db2.gz QVBCGLGWYBREED-JKSUJKDBSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000354914820 150028233 /nfs/dbraw/zinc/02/82/33/150028233.db2.gz QVBCGLGWYBREED-JKSUJKDBSA-N 2 2 339.480 1.252 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cccnc1 ZINC000354985604 150065907 /nfs/dbraw/zinc/06/59/07/150065907.db2.gz RMQJWPSAZPQECT-JKSUJKDBSA-N 2 2 330.476 1.812 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cccnc1 ZINC000354985604 150065909 /nfs/dbraw/zinc/06/59/09/150065909.db2.gz RMQJWPSAZPQECT-JKSUJKDBSA-N 2 2 330.476 1.812 20 0 EDADLP COc1ccc2nc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)[nH]c2n1 ZINC000355018548 150077975 /nfs/dbraw/zinc/07/79/75/150077975.db2.gz XTVWYBKJXOFLHV-UHFFFAOYSA-N 2 2 346.479 1.424 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000355144962 150136909 /nfs/dbraw/zinc/13/69/09/150136909.db2.gz USPOPAJDSCKONB-ROUUACIJSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000355144962 150136913 /nfs/dbraw/zinc/13/69/13/150136913.db2.gz USPOPAJDSCKONB-ROUUACIJSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355144962 150136917 /nfs/dbraw/zinc/13/69/17/150136917.db2.gz USPOPAJDSCKONB-ROUUACIJSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355144962 150136921 /nfs/dbraw/zinc/13/69/21/150136921.db2.gz USPOPAJDSCKONB-ROUUACIJSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)C1 ZINC000416985335 304361906 /nfs/dbraw/zinc/36/19/06/304361906.db2.gz KYWIPVDHMKAEBU-OFQRWUPVSA-N 2 2 347.463 1.199 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000355529602 150303783 /nfs/dbraw/zinc/30/37/83/150303783.db2.gz KHPBRAUJXNBPSE-KRWDZBQOSA-N 2 2 339.443 1.343 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000355529602 150303785 /nfs/dbraw/zinc/30/37/85/150303785.db2.gz KHPBRAUJXNBPSE-KRWDZBQOSA-N 2 2 339.443 1.343 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417063084 304368151 /nfs/dbraw/zinc/36/81/51/304368151.db2.gz DMUJYKRXKDINEZ-INIZCTEOSA-N 2 2 327.432 1.730 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000357353997 151005592 /nfs/dbraw/zinc/00/55/92/151005592.db2.gz FTSQBZRAXVOGOA-UHFFFAOYSA-N 2 2 340.512 1.297 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722628 151125635 /nfs/dbraw/zinc/12/56/35/151125635.db2.gz RLSKJXYZIUUTLN-QGZVFWFLSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722628 151125637 /nfs/dbraw/zinc/12/56/37/151125637.db2.gz RLSKJXYZIUUTLN-QGZVFWFLSA-N 2 2 347.503 1.812 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000357886842 151184289 /nfs/dbraw/zinc/18/42/89/151184289.db2.gz WMOASGUZTOAEDK-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000357898342 151187753 /nfs/dbraw/zinc/18/77/53/151187753.db2.gz YCOBELAJWWQWBS-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000357898342 151187755 /nfs/dbraw/zinc/18/77/55/151187755.db2.gz YCOBELAJWWQWBS-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000357898342 151187758 /nfs/dbraw/zinc/18/77/58/151187758.db2.gz YCOBELAJWWQWBS-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000357898342 151187760 /nfs/dbraw/zinc/18/77/60/151187760.db2.gz YCOBELAJWWQWBS-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000358042512 151244503 /nfs/dbraw/zinc/24/45/03/151244503.db2.gz SAEVAAUWCCHTTG-INIZCTEOSA-N 2 2 346.479 1.178 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000358042512 151244504 /nfs/dbraw/zinc/24/45/04/151244504.db2.gz SAEVAAUWCCHTTG-INIZCTEOSA-N 2 2 346.479 1.178 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000358142350 151286471 /nfs/dbraw/zinc/28/64/71/151286471.db2.gz RBOKHHICAAUJON-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000358142350 151286472 /nfs/dbraw/zinc/28/64/72/151286472.db2.gz RBOKHHICAAUJON-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000358142981 151286976 /nfs/dbraw/zinc/28/69/76/151286976.db2.gz SAUDWIQUEDGXQU-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000358142981 151286978 /nfs/dbraw/zinc/28/69/78/151286978.db2.gz SAUDWIQUEDGXQU-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000358317002 151335659 /nfs/dbraw/zinc/33/56/59/151335659.db2.gz JPTZABXPDSWPER-SFHVURJKSA-N 2 2 337.508 1.474 20 0 EDADLP C(C[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1)N1CCOCC1 ZINC000358317002 151335661 /nfs/dbraw/zinc/33/56/61/151335661.db2.gz JPTZABXPDSWPER-SFHVURJKSA-N 2 2 337.508 1.474 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COCc1cccnc1 ZINC000358407654 151365341 /nfs/dbraw/zinc/36/53/41/151365341.db2.gz JCAKDQMYHFUKLV-UHFFFAOYSA-N 2 2 334.464 1.083 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COCc1cccnc1 ZINC000358407654 151365343 /nfs/dbraw/zinc/36/53/43/151365343.db2.gz JCAKDQMYHFUKLV-UHFFFAOYSA-N 2 2 334.464 1.083 20 0 EDADLP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC000343752989 286259182 /nfs/dbraw/zinc/25/91/82/286259182.db2.gz BVDWZVYMSBMLDN-WMLDXEAASA-N 2 2 333.476 1.602 20 0 EDADLP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC000343752989 286259184 /nfs/dbraw/zinc/25/91/84/286259184.db2.gz BVDWZVYMSBMLDN-WMLDXEAASA-N 2 2 333.476 1.602 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000358758263 151487205 /nfs/dbraw/zinc/48/72/05/151487205.db2.gz ROFOWARBGQNLFB-QFBILLFUSA-N 2 2 325.460 1.792 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359289083 151672133 /nfs/dbraw/zinc/67/21/33/151672133.db2.gz QAQVGRFUDHSBFK-KBPBESRZSA-N 2 2 339.386 1.398 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000417171899 292252992 /nfs/dbraw/zinc/25/29/92/292252992.db2.gz FKTLSJCDWDKEQY-UXLLHSPISA-N 2 2 334.464 1.403 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+][C@H]2C)[NH+]2CCOCC2)cc1 ZINC000342763881 292254413 /nfs/dbraw/zinc/25/44/13/292254413.db2.gz DYALXUHQMMFFSS-WDSOQIARSA-N 2 2 345.487 1.873 20 0 EDADLP CC(=O)c1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000360451023 152049308 /nfs/dbraw/zinc/04/93/08/152049308.db2.gz YVRRRENDHWYLJI-OAHLLOKOSA-N 2 2 329.444 1.788 20 0 EDADLP CC(=O)c1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000360451023 152049310 /nfs/dbraw/zinc/04/93/10/152049310.db2.gz YVRRRENDHWYLJI-OAHLLOKOSA-N 2 2 329.444 1.788 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000360639093 152134408 /nfs/dbraw/zinc/13/44/08/152134408.db2.gz PUNYJADBVVJXPF-LMMKCTJWSA-N 2 2 349.519 1.820 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000360639093 152134409 /nfs/dbraw/zinc/13/44/09/152134409.db2.gz PUNYJADBVVJXPF-LMMKCTJWSA-N 2 2 349.519 1.820 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360893642 152244214 /nfs/dbraw/zinc/24/42/14/152244214.db2.gz FWTZWYIGLGUPQH-NVXWUHKLSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1ccc(C2CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC2)c[nH+]1 ZINC000361075059 152296176 /nfs/dbraw/zinc/29/61/76/152296176.db2.gz RMXIGSYGBDIHOD-UHFFFAOYSA-N 2 2 346.475 1.600 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ncccc2N(C)C)CC1 ZINC000361138113 152318848 /nfs/dbraw/zinc/31/88/48/152318848.db2.gz CAJJZYVNBMBEJN-UHFFFAOYSA-N 2 2 334.464 1.655 20 0 EDADLP CC[C@@H]1CN(CC[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CCO1 ZINC000361146629 152319688 /nfs/dbraw/zinc/31/96/88/152319688.db2.gz POCQESIJQLDREC-QGZVFWFLSA-N 2 2 341.496 1.104 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C2([NH+]3CCOCC3)CCC2)o1 ZINC000363714224 153037902 /nfs/dbraw/zinc/03/79/02/153037902.db2.gz PTIJZKQZSCXTLX-UHFFFAOYSA-N 2 2 349.475 1.733 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363723685 153039638 /nfs/dbraw/zinc/03/96/38/153039638.db2.gz WXRARUGPYAWGLW-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000363779140 153054603 /nfs/dbraw/zinc/05/46/03/153054603.db2.gz MBDCPQJXKCIKNR-PKOBYXMFSA-N 2 2 345.487 1.956 20 0 EDADLP Cc1cccnc1/C=C/C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363895120 153088291 /nfs/dbraw/zinc/08/82/91/153088291.db2.gz JARVYVQFGGZHJV-SQRWCISFSA-N 2 2 328.460 1.688 20 0 EDADLP Cc1cccnc1/C=C/C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363895120 153088294 /nfs/dbraw/zinc/08/82/94/153088294.db2.gz JARVYVQFGGZHJV-SQRWCISFSA-N 2 2 328.460 1.688 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)nc2)CC1 ZINC000364050088 153133067 /nfs/dbraw/zinc/13/30/67/153133067.db2.gz JBPCWFWRQWXISU-CQSZACIVSA-N 2 2 340.431 1.231 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364077356 153140187 /nfs/dbraw/zinc/14/01/87/153140187.db2.gz YRODVISZQPPBSH-QZTJIDSGSA-N 2 2 345.443 1.705 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364077356 153140189 /nfs/dbraw/zinc/14/01/89/153140189.db2.gz YRODVISZQPPBSH-QZTJIDSGSA-N 2 2 345.443 1.705 20 0 EDADLP CC(C)Oc1cccnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370216616 155381321 /nfs/dbraw/zinc/38/13/21/155381321.db2.gz UANOTZAYQXDBHA-HNNXBMFYSA-N 2 2 346.475 1.767 20 0 EDADLP CC(C)Oc1cccnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370216616 155381323 /nfs/dbraw/zinc/38/13/23/155381323.db2.gz UANOTZAYQXDBHA-HNNXBMFYSA-N 2 2 346.475 1.767 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)co1 ZINC000364565444 153272176 /nfs/dbraw/zinc/27/21/76/153272176.db2.gz ZOHBYWAEHCMQEU-QGZVFWFLSA-N 2 2 329.400 1.369 20 0 EDADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000364565444 153272179 /nfs/dbraw/zinc/27/21/79/153272179.db2.gz ZOHBYWAEHCMQEU-QGZVFWFLSA-N 2 2 329.400 1.369 20 0 EDADLP O=C1[C@H]2C[N@H+](CCC[NH+]3CCCC3)CCN2C(=O)N1c1ccccc1 ZINC000364651166 153294796 /nfs/dbraw/zinc/29/47/96/153294796.db2.gz WJKZOMUQRMEUFW-QGZVFWFLSA-N 2 2 342.443 1.625 20 0 EDADLP O=C1[C@H]2C[N@@H+](CCC[NH+]3CCCC3)CCN2C(=O)N1c1ccccc1 ZINC000364651166 153294797 /nfs/dbraw/zinc/29/47/97/153294797.db2.gz WJKZOMUQRMEUFW-QGZVFWFLSA-N 2 2 342.443 1.625 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)cn21 ZINC000364736304 153319035 /nfs/dbraw/zinc/31/90/35/153319035.db2.gz PTLSHQUYYQFPRB-ZSZQSSIHSA-N 2 2 342.443 1.791 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@]3(O)CCO[C@@H]3C)sc2C1 ZINC000364779059 153330887 /nfs/dbraw/zinc/33/08/87/153330887.db2.gz DXLBUVWBISNYDM-WBMJQRKESA-N 2 2 325.478 1.539 20 0 EDADLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000364811450 153339793 /nfs/dbraw/zinc/33/97/93/153339793.db2.gz PQXQIHSQGUEVGT-HOJAQTOUSA-N 2 2 347.503 1.759 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2nccn2C(C)C)CC1 ZINC000365017036 153398923 /nfs/dbraw/zinc/39/89/23/153398923.db2.gz WJYRLEZVRJQNGQ-WBVHZDCISA-N 2 2 335.496 1.872 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2nccn2C(C)C)CC1 ZINC000365017036 153398925 /nfs/dbraw/zinc/39/89/25/153398925.db2.gz WJYRLEZVRJQNGQ-WBVHZDCISA-N 2 2 335.496 1.872 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000365017036 153398927 /nfs/dbraw/zinc/39/89/27/153398927.db2.gz WJYRLEZVRJQNGQ-WBVHZDCISA-N 2 2 335.496 1.872 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367116751 154013125 /nfs/dbraw/zinc/01/31/25/154013125.db2.gz HNRPGGDPTRPPAI-JKSUJKDBSA-N 2 2 334.464 1.766 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367116751 154013127 /nfs/dbraw/zinc/01/31/27/154013127.db2.gz HNRPGGDPTRPPAI-JKSUJKDBSA-N 2 2 334.464 1.766 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000367274561 154063619 /nfs/dbraw/zinc/06/36/19/154063619.db2.gz NGZBPBKMJRJDNK-GJZGRUSLSA-N 2 2 329.510 1.217 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000367274561 154063622 /nfs/dbraw/zinc/06/36/22/154063622.db2.gz NGZBPBKMJRJDNK-GJZGRUSLSA-N 2 2 329.510 1.217 20 0 EDADLP Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC3 ZINC000367297316 154069734 /nfs/dbraw/zinc/06/97/34/154069734.db2.gz AATHDZRESPZUCT-UHFFFAOYSA-N 2 2 340.471 1.999 20 0 EDADLP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC3 ZINC000367297316 154069736 /nfs/dbraw/zinc/06/97/36/154069736.db2.gz AATHDZRESPZUCT-UHFFFAOYSA-N 2 2 340.471 1.999 20 0 EDADLP O=C1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@@H](C2CC2)N1 ZINC000367436816 154122545 /nfs/dbraw/zinc/12/25/45/154122545.db2.gz HGRAAKQUPLKBJG-PKOBYXMFSA-N 2 2 328.460 1.693 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cccn(C)c2=O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367445562 154123718 /nfs/dbraw/zinc/12/37/18/154123718.db2.gz VLEMOOKCHOPFGB-CQSZACIVSA-N 2 2 347.463 1.018 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cccn(C)c2=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367445562 154123719 /nfs/dbraw/zinc/12/37/19/154123719.db2.gz VLEMOOKCHOPFGB-CQSZACIVSA-N 2 2 347.463 1.018 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1CC ZINC000367747573 154253959 /nfs/dbraw/zinc/25/39/59/154253959.db2.gz UPLNZKCXEPVQQA-HUUCEWRRSA-N 2 2 349.479 1.409 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1CC ZINC000367747573 154253960 /nfs/dbraw/zinc/25/39/60/154253960.db2.gz UPLNZKCXEPVQQA-HUUCEWRRSA-N 2 2 349.479 1.409 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1CC ZINC000367747573 154253963 /nfs/dbraw/zinc/25/39/63/154253963.db2.gz UPLNZKCXEPVQQA-HUUCEWRRSA-N 2 2 349.479 1.409 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1CC ZINC000367747573 154253965 /nfs/dbraw/zinc/25/39/65/154253965.db2.gz UPLNZKCXEPVQQA-HUUCEWRRSA-N 2 2 349.479 1.409 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)CC1 ZINC000367746218 154254068 /nfs/dbraw/zinc/25/40/68/154254068.db2.gz FKWGAWQTENPWNC-QGZVFWFLSA-N 3 2 327.476 1.935 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)CC1 ZINC000367746218 154254071 /nfs/dbraw/zinc/25/40/71/154254071.db2.gz FKWGAWQTENPWNC-QGZVFWFLSA-N 3 2 327.476 1.935 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@H]1C ZINC000367947765 154339738 /nfs/dbraw/zinc/33/97/38/154339738.db2.gz MFJUWFSIHUWSLH-OAHLLOKOSA-N 2 2 349.479 1.472 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@H]1C ZINC000367947765 154339740 /nfs/dbraw/zinc/33/97/40/154339740.db2.gz MFJUWFSIHUWSLH-OAHLLOKOSA-N 2 2 349.479 1.472 20 0 EDADLP CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000367960576 154344032 /nfs/dbraw/zinc/34/40/32/154344032.db2.gz AIMNJRXRPCOSEX-UHFFFAOYSA-N 2 2 345.491 1.279 20 0 EDADLP CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000367960576 154344033 /nfs/dbraw/zinc/34/40/33/154344033.db2.gz AIMNJRXRPCOSEX-UHFFFAOYSA-N 2 2 345.491 1.279 20 0 EDADLP NC(=O)C[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000367982435 154353187 /nfs/dbraw/zinc/35/31/87/154353187.db2.gz JJTJENXFVRIXIY-ROUUACIJSA-N 2 2 331.460 1.475 20 0 EDADLP NC(=O)C[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000367982435 154353189 /nfs/dbraw/zinc/35/31/89/154353189.db2.gz JJTJENXFVRIXIY-ROUUACIJSA-N 2 2 331.460 1.475 20 0 EDADLP NC(=O)C[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000367982435 154353194 /nfs/dbraw/zinc/35/31/94/154353194.db2.gz JJTJENXFVRIXIY-ROUUACIJSA-N 2 2 331.460 1.475 20 0 EDADLP NC(=O)C[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000367982435 154353195 /nfs/dbraw/zinc/35/31/95/154353195.db2.gz JJTJENXFVRIXIY-ROUUACIJSA-N 2 2 331.460 1.475 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H]1[NH+]1CCOCC1 ZINC000368068998 154394896 /nfs/dbraw/zinc/39/48/96/154394896.db2.gz LGLGFOUQPBKJNQ-GDBMZVCRSA-N 2 2 343.431 1.909 20 0 EDADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000417361284 304394698 /nfs/dbraw/zinc/39/46/98/304394698.db2.gz YNMCTXBJMYJQRD-AWEZNQCLSA-N 2 2 337.489 1.971 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000369413371 155018755 /nfs/dbraw/zinc/01/87/55/155018755.db2.gz VYMZZHFKZRZWFB-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000369413371 155018756 /nfs/dbraw/zinc/01/87/56/155018756.db2.gz VYMZZHFKZRZWFB-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599057 155103805 /nfs/dbraw/zinc/10/38/05/155103805.db2.gz GRTHEPZZSWVKPP-QRQLOZEOSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599057 155103808 /nfs/dbraw/zinc/10/38/08/155103808.db2.gz GRTHEPZZSWVKPP-QRQLOZEOSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599057 155103811 /nfs/dbraw/zinc/10/38/11/155103811.db2.gz GRTHEPZZSWVKPP-QRQLOZEOSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599057 155103813 /nfs/dbraw/zinc/10/38/13/155103813.db2.gz GRTHEPZZSWVKPP-QRQLOZEOSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599056 155104029 /nfs/dbraw/zinc/10/40/29/155104029.db2.gz GRTHEPZZSWVKPP-NZSAHSFTSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599056 155104030 /nfs/dbraw/zinc/10/40/30/155104030.db2.gz GRTHEPZZSWVKPP-NZSAHSFTSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599056 155104034 /nfs/dbraw/zinc/10/40/34/155104034.db2.gz GRTHEPZZSWVKPP-NZSAHSFTSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599056 155104037 /nfs/dbraw/zinc/10/40/37/155104037.db2.gz GRTHEPZZSWVKPP-NZSAHSFTSA-N 2 2 343.471 1.598 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](O)COC2CCOCC2)[nH+]1 ZINC000371896459 156159184 /nfs/dbraw/zinc/15/91/84/156159184.db2.gz UVENONMDGDJMKQ-IRXDYDNUSA-N 2 2 349.475 1.823 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)COC2CCOCC2)[nH+]1 ZINC000371896459 156159188 /nfs/dbraw/zinc/15/91/88/156159188.db2.gz UVENONMDGDJMKQ-IRXDYDNUSA-N 2 2 349.475 1.823 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@H](C)O1 ZINC000371905982 156160906 /nfs/dbraw/zinc/16/09/06/156160906.db2.gz MFKMGVVHZFHDAR-GASCZTMLSA-N 2 2 349.479 1.798 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@H](C)O1 ZINC000371905982 156160909 /nfs/dbraw/zinc/16/09/09/156160909.db2.gz MFKMGVVHZFHDAR-GASCZTMLSA-N 2 2 349.479 1.798 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@H](C)O1 ZINC000371905982 156160911 /nfs/dbraw/zinc/16/09/11/156160911.db2.gz MFKMGVVHZFHDAR-GASCZTMLSA-N 2 2 349.479 1.798 20 0 EDADLP C[N@@H+](CCC1CC1)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000372175053 156255416 /nfs/dbraw/zinc/25/54/16/156255416.db2.gz DQBFKSJOYLOWPU-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CCC1CC1)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000372175053 156255420 /nfs/dbraw/zinc/25/54/20/156255420.db2.gz DQBFKSJOYLOWPU-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CCC1CC1)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000372175053 156255426 /nfs/dbraw/zinc/25/54/26/156255426.db2.gz DQBFKSJOYLOWPU-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372312507 156326449 /nfs/dbraw/zinc/32/64/49/156326449.db2.gz XZZWKPRQIQYJIL-SFHVURJKSA-N 2 2 341.459 1.241 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372312507 156326454 /nfs/dbraw/zinc/32/64/54/156326454.db2.gz XZZWKPRQIQYJIL-SFHVURJKSA-N 2 2 341.459 1.241 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000372331464 156337177 /nfs/dbraw/zinc/33/71/77/156337177.db2.gz KGKLTQNAQYVDTG-QAPCUYQASA-N 2 2 339.443 1.439 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000372331464 156337179 /nfs/dbraw/zinc/33/71/79/156337179.db2.gz KGKLTQNAQYVDTG-QAPCUYQASA-N 2 2 339.443 1.439 20 0 EDADLP NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374212819 157196909 /nfs/dbraw/zinc/19/69/09/157196909.db2.gz RGDTUHRQJZZVCQ-UHFFFAOYSA-N 2 2 347.444 1.778 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2=O)n1 ZINC000374214102 157198631 /nfs/dbraw/zinc/19/86/31/157198631.db2.gz XFDGOYSPQOAJAY-OAHLLOKOSA-N 2 2 328.420 1.518 20 0 EDADLP CCc1nnc2ccc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)nn21 ZINC000374258678 157218529 /nfs/dbraw/zinc/21/85/29/157218529.db2.gz WMNTZRWRYBTAEQ-CQSZACIVSA-N 2 2 343.479 1.291 20 0 EDADLP CCc1nnc2ccc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)nn21 ZINC000374258678 157218531 /nfs/dbraw/zinc/21/85/31/157218531.db2.gz WMNTZRWRYBTAEQ-CQSZACIVSA-N 2 2 343.479 1.291 20 0 EDADLP CC1=C(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCCO1 ZINC000374331442 157247606 /nfs/dbraw/zinc/24/76/06/157247606.db2.gz LBZWZIZUDSIORG-SJPCQFCGSA-N 2 2 333.476 1.840 20 0 EDADLP CC1=C(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCO1 ZINC000374331442 157247611 /nfs/dbraw/zinc/24/76/11/157247611.db2.gz LBZWZIZUDSIORG-SJPCQFCGSA-N 2 2 333.476 1.840 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000374340640 157251365 /nfs/dbraw/zinc/25/13/65/157251365.db2.gz KWVMKTZSPFJDHW-QGZVFWFLSA-N 2 2 338.411 1.871 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000374340640 157251366 /nfs/dbraw/zinc/25/13/66/157251366.db2.gz KWVMKTZSPFJDHW-QGZVFWFLSA-N 2 2 338.411 1.871 20 0 EDADLP CC(C)Cn1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000374721659 157378670 /nfs/dbraw/zinc/37/86/70/157378670.db2.gz UOPXTFWJKHNTTD-MJGOQNOKSA-N 2 2 333.524 1.997 20 0 EDADLP CC(C)Cn1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000374721659 157378672 /nfs/dbraw/zinc/37/86/72/157378672.db2.gz UOPXTFWJKHNTTD-MJGOQNOKSA-N 2 2 333.524 1.997 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](Cc3cccc4cccnc43)CC2)C(=O)C1 ZINC000374765469 157392715 /nfs/dbraw/zinc/39/27/15/157392715.db2.gz VJRJPMDTALQVLQ-UHFFFAOYSA-N 2 2 338.455 1.973 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000377935714 158033578 /nfs/dbraw/zinc/03/35/78/158033578.db2.gz GAHSCPZPLVGTKS-JJRVBVJISA-N 2 2 329.460 1.424 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000377935714 158033580 /nfs/dbraw/zinc/03/35/80/158033580.db2.gz GAHSCPZPLVGTKS-JJRVBVJISA-N 2 2 329.460 1.424 20 0 EDADLP CC(C)[C@]1(CO)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000378114723 158081868 /nfs/dbraw/zinc/08/18/68/158081868.db2.gz RNBCAQHUFZMUEJ-GOSISDBHSA-N 2 2 340.512 1.062 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)CC[N@@H+]1C ZINC000378181876 158102609 /nfs/dbraw/zinc/10/26/09/158102609.db2.gz FMQXMVMILQXKLY-IJLUTSLNSA-N 2 2 331.386 1.975 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2nnc3n2C[C@H](C(F)(F)F)CC3)CC[N@H+]1C ZINC000378181876 158102611 /nfs/dbraw/zinc/10/26/11/158102611.db2.gz FMQXMVMILQXKLY-IJLUTSLNSA-N 2 2 331.386 1.975 20 0 EDADLP c1ccc(N(CC[NH+]2CCOCC2)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000378440781 158174170 /nfs/dbraw/zinc/17/41/70/158174170.db2.gz FAINZAUEBSQXCR-BGYRXZFFSA-N 2 2 345.487 1.688 20 0 EDADLP c1ccc(N(CC[NH+]2CCOCC2)CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000378440781 158174172 /nfs/dbraw/zinc/17/41/72/158174172.db2.gz FAINZAUEBSQXCR-BGYRXZFFSA-N 2 2 345.487 1.688 20 0 EDADLP COc1ccnc(N2CCC[N@H+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000378443211 158175819 /nfs/dbraw/zinc/17/58/19/158175819.db2.gz RDFRDRJHIPNCGY-UHFFFAOYSA-N 2 2 338.415 1.845 20 0 EDADLP COc1ccnc(N2CCC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000378443211 158175821 /nfs/dbraw/zinc/17/58/21/158175821.db2.gz RDFRDRJHIPNCGY-UHFFFAOYSA-N 2 2 338.415 1.845 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccncc1 ZINC000378583785 158214173 /nfs/dbraw/zinc/21/41/73/158214173.db2.gz ZLBUGKJLUDWRKL-DOTOQJQBSA-N 2 2 332.448 1.055 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@H]21 ZINC000352284288 162093237 /nfs/dbraw/zinc/09/32/37/162093237.db2.gz BYWSPXKGUCZSJT-QZTJIDSGSA-N 2 2 329.444 1.437 20 0 EDADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000352495738 162212428 /nfs/dbraw/zinc/21/24/28/162212428.db2.gz OIYRBGWYLGOWPH-MSOLQXFVSA-N 2 2 344.503 1.918 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000364954070 162345575 /nfs/dbraw/zinc/34/55/75/162345575.db2.gz JGDFTCYOYCYXDM-OCCSQVGLSA-N 2 2 326.391 1.263 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(=O)NCC(F)F ZINC000364954070 162345578 /nfs/dbraw/zinc/34/55/78/162345578.db2.gz JGDFTCYOYCYXDM-OCCSQVGLSA-N 2 2 326.391 1.263 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000369890459 162420512 /nfs/dbraw/zinc/42/05/12/162420512.db2.gz YALMVFGUIAXHRC-CVEARBPZSA-N 2 2 349.479 1.102 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)C(=O)OC ZINC000075861023 287279233 /nfs/dbraw/zinc/27/92/33/287279233.db2.gz PSKZLBPZBFVMOV-YQQAZPJKSA-N 2 2 341.496 1.497 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)C(=O)OC ZINC000075861023 287279235 /nfs/dbraw/zinc/27/92/35/287279235.db2.gz PSKZLBPZBFVMOV-YQQAZPJKSA-N 2 2 341.496 1.497 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)C(=O)OC ZINC000075861023 287279236 /nfs/dbraw/zinc/27/92/36/287279236.db2.gz PSKZLBPZBFVMOV-YQQAZPJKSA-N 2 2 341.496 1.497 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)C(=O)OC ZINC000075861023 287279237 /nfs/dbraw/zinc/27/92/37/287279237.db2.gz PSKZLBPZBFVMOV-YQQAZPJKSA-N 2 2 341.496 1.497 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)cc[nH+]1 ZINC000418366474 304486680 /nfs/dbraw/zinc/48/66/80/304486680.db2.gz PUSMTVGCIYECCM-INIZCTEOSA-N 2 2 346.479 1.524 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418370460 304486858 /nfs/dbraw/zinc/48/68/58/304486858.db2.gz WDFWPUCGDMPOMD-UXHZXRBQSA-N 2 2 330.476 1.883 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](CCF)C1)[NH+]1CCOCC1 ZINC000661693382 452498037 /nfs/dbraw/zinc/49/80/37/452498037.db2.gz ODGLHKKUQRUEMN-OAHLLOKOSA-N 2 2 329.460 1.285 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246762778 273015641 /nfs/dbraw/zinc/01/56/41/273015641.db2.gz NUDRRIQDHIHDAN-ROUUACIJSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246762778 273015642 /nfs/dbraw/zinc/01/56/42/273015642.db2.gz NUDRRIQDHIHDAN-ROUUACIJSA-N 2 2 345.487 1.654 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000274713740 268189396 /nfs/dbraw/zinc/18/93/96/268189396.db2.gz VLOBNMRHQGJWDC-AWEZNQCLSA-N 2 2 334.464 1.701 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC([N@H+](C)CCO)CC3)cn2c1 ZINC000274892406 268231199 /nfs/dbraw/zinc/23/11/99/268231199.db2.gz BGDMFNAKIUJXFS-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC([N@@H+](C)CCO)CC3)cn2c1 ZINC000274892406 268231201 /nfs/dbraw/zinc/23/12/01/268231201.db2.gz BGDMFNAKIUJXFS-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP CC1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1O ZINC000275523532 268354598 /nfs/dbraw/zinc/35/45/98/268354598.db2.gz VRLKAQGTVPJUFM-MRXNPFEDSA-N 2 2 346.475 1.213 20 0 EDADLP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1O ZINC000275523532 268354600 /nfs/dbraw/zinc/35/46/00/268354600.db2.gz VRLKAQGTVPJUFM-MRXNPFEDSA-N 2 2 346.475 1.213 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)ccc2[nH+]1 ZINC000276108419 268398236 /nfs/dbraw/zinc/39/82/36/268398236.db2.gz ZHIWYDFSXCRIIJ-HIFRSBDPSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)ccc2[nH+]1 ZINC000276108419 268398238 /nfs/dbraw/zinc/39/82/38/268398238.db2.gz ZHIWYDFSXCRIIJ-HIFRSBDPSA-N 2 2 341.415 1.276 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000274559688 273096835 /nfs/dbraw/zinc/09/68/35/273096835.db2.gz JYTWBXTVOGOVJP-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000274559688 273096836 /nfs/dbraw/zinc/09/68/36/273096836.db2.gz JYTWBXTVOGOVJP-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP CS[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1[NH+](C)C ZINC000277765641 273225104 /nfs/dbraw/zinc/22/51/04/273225104.db2.gz KVRJVKIWAJWEDS-CHWSQXEVSA-N 2 2 339.534 1.512 20 0 EDADLP CS[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1[NH+](C)C ZINC000277767296 273225366 /nfs/dbraw/zinc/22/53/66/273225366.db2.gz KVRJVKIWAJWEDS-STQMWFEESA-N 2 2 339.534 1.512 20 0 EDADLP COC(=O)c1cn(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000283840858 273980310 /nfs/dbraw/zinc/98/03/10/273980310.db2.gz FOROBWMQMHPZBI-UHFFFAOYSA-N 2 2 326.360 1.040 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)n(C)c1C ZINC000284262555 274137658 /nfs/dbraw/zinc/13/76/58/274137658.db2.gz RYHOMJMSXHBQMP-GUYCJALGSA-N 2 2 346.431 1.864 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000284412978 274193108 /nfs/dbraw/zinc/19/31/08/274193108.db2.gz XKEYSNWBHPJLIZ-GJZGRUSLSA-N 2 2 347.463 1.311 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000284412978 274193112 /nfs/dbraw/zinc/19/31/12/274193112.db2.gz XKEYSNWBHPJLIZ-GJZGRUSLSA-N 2 2 347.463 1.311 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c1OC ZINC000284625773 274269151 /nfs/dbraw/zinc/26/91/51/274269151.db2.gz SVNNWHRNOMNFLS-CXAGYDPISA-N 2 2 344.415 1.547 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000367711954 274356174 /nfs/dbraw/zinc/35/61/74/274356174.db2.gz GXZUEQDJEXTPRK-AEFFLSMTSA-N 2 2 333.476 1.813 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000367711954 274356176 /nfs/dbraw/zinc/35/61/76/274356176.db2.gz GXZUEQDJEXTPRK-AEFFLSMTSA-N 2 2 333.476 1.813 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)c1c(F)cccc1F ZINC000285867624 287876975 /nfs/dbraw/zinc/87/69/75/287876975.db2.gz ZPMVZLCABYVAOC-FZMZJTMJSA-N 2 2 327.375 1.062 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCc4ccsc4C3)C2)CC1 ZINC000367020225 277028446 /nfs/dbraw/zinc/02/84/46/277028446.db2.gz MEDQHJUDUFHRQL-HNNXBMFYSA-N 2 2 348.516 1.984 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCc4ccsc4C3)C2)CC1 ZINC000367020225 277028447 /nfs/dbraw/zinc/02/84/47/277028447.db2.gz MEDQHJUDUFHRQL-HNNXBMFYSA-N 2 2 348.516 1.984 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338180386 277101986 /nfs/dbraw/zinc/10/19/86/277101986.db2.gz HUXXGAIOPPGDGN-RBUKOAKNSA-N 2 2 325.460 1.596 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338180386 277101988 /nfs/dbraw/zinc/10/19/88/277101988.db2.gz HUXXGAIOPPGDGN-RBUKOAKNSA-N 2 2 325.460 1.596 20 0 EDADLP CO[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373511067 277287558 /nfs/dbraw/zinc/28/75/58/277287558.db2.gz WFNYWAAFYWHTHO-LZLYRXPVSA-N 2 2 337.508 1.866 20 0 EDADLP CO[C@@H]1CCC[C@H](CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373511067 277287559 /nfs/dbraw/zinc/28/75/59/277287559.db2.gz WFNYWAAFYWHTHO-LZLYRXPVSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000369988495 277395280 /nfs/dbraw/zinc/39/52/80/277395280.db2.gz VTIKNJFWYGUKAD-QGZVFWFLSA-N 2 2 337.508 1.726 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000369988495 277395283 /nfs/dbraw/zinc/39/52/83/277395283.db2.gz VTIKNJFWYGUKAD-QGZVFWFLSA-N 2 2 337.508 1.726 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)[NH+]1CCCCC1 ZINC000369512032 277715738 /nfs/dbraw/zinc/71/57/38/277715738.db2.gz VVDNFEOJKNDJGZ-SJORKVTESA-N 2 2 347.507 1.746 20 0 EDADLP COc1c[nH+]ccc1N1CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000360256022 278076842 /nfs/dbraw/zinc/07/68/42/278076842.db2.gz DPCGBLNLPPDWOO-UHFFFAOYSA-N 2 2 340.431 1.195 20 0 EDADLP COc1c[nH+]ccc1N1CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000360256022 278076843 /nfs/dbraw/zinc/07/68/43/278076843.db2.gz DPCGBLNLPPDWOO-UHFFFAOYSA-N 2 2 340.431 1.195 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CCCC1 ZINC000286532241 288028621 /nfs/dbraw/zinc/02/86/21/288028621.db2.gz YOWRXTUXDCZVRB-OAHLLOKOSA-N 2 2 347.463 1.454 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CCCC1 ZINC000286532241 288028622 /nfs/dbraw/zinc/02/86/22/288028622.db2.gz YOWRXTUXDCZVRB-OAHLLOKOSA-N 2 2 347.463 1.454 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000247967404 279229529 /nfs/dbraw/zinc/22/95/29/279229529.db2.gz DXJSMBHXJQYCLQ-OIISXLGYSA-N 2 2 333.501 1.985 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000247967404 279229531 /nfs/dbraw/zinc/22/95/31/279229531.db2.gz DXJSMBHXJQYCLQ-OIISXLGYSA-N 2 2 333.501 1.985 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000133579607 280010168 /nfs/dbraw/zinc/01/01/68/280010168.db2.gz YOBJCFPJSFOHRG-DLBZAZTESA-N 3 2 332.496 1.061 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000133579607 280010170 /nfs/dbraw/zinc/01/01/70/280010170.db2.gz YOBJCFPJSFOHRG-DLBZAZTESA-N 3 2 332.496 1.061 20 0 EDADLP CC(C)[C@H](C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)[NH+](C)C ZINC000369055686 280144958 /nfs/dbraw/zinc/14/49/58/280144958.db2.gz CTJWGZNWDGNOHV-MRXNPFEDSA-N 2 2 340.512 1.022 20 0 EDADLP CC(C)[C@H](C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)[NH+](C)C ZINC000369055686 280144962 /nfs/dbraw/zinc/14/49/62/280144962.db2.gz CTJWGZNWDGNOHV-MRXNPFEDSA-N 2 2 340.512 1.022 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000414899764 288219588 /nfs/dbraw/zinc/21/95/88/288219588.db2.gz HNCYDIHEBVSMFR-IJEWVQPXSA-N 2 2 332.448 1.861 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000414899764 288219590 /nfs/dbraw/zinc/21/95/90/288219590.db2.gz HNCYDIHEBVSMFR-IJEWVQPXSA-N 2 2 332.448 1.861 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)C2 ZINC000333645901 280670299 /nfs/dbraw/zinc/67/02/99/280670299.db2.gz IZPMMKMRNCKKBX-KBPBESRZSA-N 2 2 333.480 1.999 20 0 EDADLP CC[C@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1C[C@H](C)O ZINC000347809098 281171586 /nfs/dbraw/zinc/17/15/86/281171586.db2.gz ITXDGVDWKITEGT-KBPBESRZSA-N 2 2 326.510 1.482 20 0 EDADLP CC[C@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1C[C@H](C)O ZINC000347809098 281171588 /nfs/dbraw/zinc/17/15/88/281171588.db2.gz ITXDGVDWKITEGT-KBPBESRZSA-N 2 2 326.510 1.482 20 0 EDADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000288605001 288526020 /nfs/dbraw/zinc/52/60/20/288526020.db2.gz PXZLMSLVOXXESP-KDOFPFPSSA-N 2 2 339.443 1.840 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333776603 288739023 /nfs/dbraw/zinc/73/90/23/288739023.db2.gz DAFFJYPPEDBYMD-LSDHHAIUSA-N 2 2 335.452 1.518 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)c[nH+]2)CCO1 ZINC000292166504 289279136 /nfs/dbraw/zinc/27/91/36/289279136.db2.gz VOJHMYMCHCRVDT-GDBMZVCRSA-N 2 2 332.448 1.455 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000269708379 289283818 /nfs/dbraw/zinc/28/38/18/289283818.db2.gz TZWNEAWNVOLVDU-WBVHZDCISA-N 2 2 333.501 1.939 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000269708379 289283820 /nfs/dbraw/zinc/28/38/20/289283820.db2.gz TZWNEAWNVOLVDU-WBVHZDCISA-N 2 2 333.501 1.939 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292262958 289301096 /nfs/dbraw/zinc/30/10/96/289301096.db2.gz YWIPDOPTELGYBR-QGZVFWFLSA-N 2 2 337.489 1.465 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292262958 289301098 /nfs/dbraw/zinc/30/10/98/289301098.db2.gz YWIPDOPTELGYBR-QGZVFWFLSA-N 2 2 337.489 1.465 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292262958 289301101 /nfs/dbraw/zinc/30/11/01/289301101.db2.gz YWIPDOPTELGYBR-QGZVFWFLSA-N 2 2 337.489 1.465 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292262958 289301104 /nfs/dbraw/zinc/30/11/04/289301104.db2.gz YWIPDOPTELGYBR-QGZVFWFLSA-N 2 2 337.489 1.465 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCCC(C)(C)C ZINC000371299734 289332296 /nfs/dbraw/zinc/33/22/96/289332296.db2.gz JWFXQIIOJZEIOM-OWCLPIDISA-N 2 2 325.497 1.722 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCCC(C)(C)C ZINC000371299734 289332297 /nfs/dbraw/zinc/33/22/97/289332297.db2.gz JWFXQIIOJZEIOM-OWCLPIDISA-N 2 2 325.497 1.722 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCn2c[nH+]cc2C1 ZINC000292472489 289357848 /nfs/dbraw/zinc/35/78/48/289357848.db2.gz PSIUCDZMNCUKBE-UHFFFAOYSA-N 2 2 336.399 1.853 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000182200705 290242474 /nfs/dbraw/zinc/24/24/74/290242474.db2.gz BYCCBFAZYKGNFA-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000182200705 290242475 /nfs/dbraw/zinc/24/24/75/290242475.db2.gz BYCCBFAZYKGNFA-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP COC[C@H]1CCN(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000337766513 293212114 /nfs/dbraw/zinc/21/21/14/293212114.db2.gz MWQQNAZUSDXAOE-HOTGVXAUSA-N 2 2 338.496 1.175 20 0 EDADLP COC[C@H]1CCN(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000337766513 293212118 /nfs/dbraw/zinc/21/21/18/293212118.db2.gz MWQQNAZUSDXAOE-HOTGVXAUSA-N 2 2 338.496 1.175 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3C[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000416995954 297078636 /nfs/dbraw/zinc/07/86/36/297078636.db2.gz WDKKQNZWWRKLHW-LZWOXQAQSA-N 2 2 347.463 1.328 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000359286013 295123804 /nfs/dbraw/zinc/12/38/04/295123804.db2.gz MGEHUSKLEXAKLT-NUEKZKHPSA-N 2 2 347.459 1.202 20 0 EDADLP COc1ccc([C@@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)N2CCOCC2)cc1 ZINC000422756551 295213331 /nfs/dbraw/zinc/21/33/31/295213331.db2.gz IZQNVIWCKWUAOV-ZYSHUDEJSA-N 2 2 333.476 1.799 20 0 EDADLP [NH3+]CC1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000238055346 295221131 /nfs/dbraw/zinc/22/11/31/295221131.db2.gz BOAORTBCNKFBFX-UHFFFAOYSA-N 2 2 331.460 1.654 20 0 EDADLP COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)C2CC([NH3+])C2)cc1OC ZINC000420332817 295248321 /nfs/dbraw/zinc/24/83/21/295248321.db2.gz NIDNKBJTIPDZHG-UYSNPLJNSA-N 2 2 347.459 1.789 20 0 EDADLP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)C2CC([NH3+])C2)cc1OC ZINC000420332817 295248322 /nfs/dbraw/zinc/24/83/22/295248322.db2.gz NIDNKBJTIPDZHG-UYSNPLJNSA-N 2 2 347.459 1.789 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3[C@H](C)C3(F)F)CC2)CC1 ZINC000422016222 447309992 /nfs/dbraw/zinc/30/99/92/447309992.db2.gz IBHJJNWTEKRKQE-DZGCQCFKSA-N 2 2 329.435 1.906 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3[C@H](C)C3(F)F)CC2)CC1 ZINC000422016222 447310001 /nfs/dbraw/zinc/31/00/01/447310001.db2.gz IBHJJNWTEKRKQE-DZGCQCFKSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000341130615 300346094 /nfs/dbraw/zinc/34/60/94/300346094.db2.gz WLGUQGOVYZNUEL-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000341130615 300346097 /nfs/dbraw/zinc/34/60/97/300346097.db2.gz WLGUQGOVYZNUEL-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000341130615 300346099 /nfs/dbraw/zinc/34/60/99/300346099.db2.gz WLGUQGOVYZNUEL-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000341130615 300346103 /nfs/dbraw/zinc/34/61/03/300346103.db2.gz WLGUQGOVYZNUEL-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCOCC(F)F)CC2)CC1 ZINC000422017095 447310165 /nfs/dbraw/zinc/31/01/65/447310165.db2.gz IVRAYJUMXIHMKQ-UHFFFAOYSA-N 2 2 347.450 1.677 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCOCC(F)F)CC2)CC1 ZINC000422017095 447310170 /nfs/dbraw/zinc/31/01/70/447310170.db2.gz IVRAYJUMXIHMKQ-UHFFFAOYSA-N 2 2 347.450 1.677 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(SC)CC3)CC2)CC1 ZINC000422022596 447312804 /nfs/dbraw/zinc/31/28/04/447312804.db2.gz OXUZESVARYLVJU-UHFFFAOYSA-N 2 2 325.522 1.901 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(SC)CC3)CC2)CC1 ZINC000422022596 447312812 /nfs/dbraw/zinc/31/28/12/447312812.db2.gz OXUZESVARYLVJU-UHFFFAOYSA-N 2 2 325.522 1.901 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCC2([NH3+])CCC2)cc1 ZINC000416879889 301713520 /nfs/dbraw/zinc/71/35/20/301713520.db2.gz DNDMHVSNLZUCKK-QGZVFWFLSA-N 2 2 346.475 1.549 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@H](C)CC[NH3+])[NH+]2CCOCC2)c1 ZINC000417004905 302031584 /nfs/dbraw/zinc/03/15/84/302031584.db2.gz XPCGYMQHMCATBO-WBVHZDCISA-N 2 2 334.464 1.405 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C ZINC000342768793 302339782 /nfs/dbraw/zinc/33/97/82/302339782.db2.gz NMBHWLVVZLQSNJ-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1C ZINC000342768793 302339786 /nfs/dbraw/zinc/33/97/86/302339786.db2.gz NMBHWLVVZLQSNJ-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)n1C ZINC000341373622 302344398 /nfs/dbraw/zinc/34/43/98/302344398.db2.gz HPUOWSVDNJSWDZ-KGLIPLIRSA-N 2 2 347.442 1.291 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+](C)Cc1ccccc1 ZINC000456206534 447324873 /nfs/dbraw/zinc/32/48/73/447324873.db2.gz QMWFXSMOZMNQHV-OTWHNJEPSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@@H+](C)Cc1ccccc1 ZINC000456206534 447324876 /nfs/dbraw/zinc/32/48/76/447324876.db2.gz QMWFXSMOZMNQHV-OTWHNJEPSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)Cc1ccccc1 ZINC000456206534 447324879 /nfs/dbraw/zinc/32/48/79/447324879.db2.gz QMWFXSMOZMNQHV-OTWHNJEPSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)Cc1ccccc1 ZINC000456206534 447324882 /nfs/dbraw/zinc/32/48/82/447324882.db2.gz QMWFXSMOZMNQHV-OTWHNJEPSA-N 2 2 345.487 1.876 20 0 EDADLP COc1ccc([C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(F)(F)F)cc1 ZINC000653154525 453344589 /nfs/dbraw/zinc/34/45/89/453344589.db2.gz UYVMETWKZPKSAK-CHWSQXEVSA-N 2 2 333.354 1.694 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294192926 303075673 /nfs/dbraw/zinc/07/56/73/303075673.db2.gz KRFKVTWSQQFMEX-OKILXGFUSA-N 2 2 347.463 1.783 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294192926 303075675 /nfs/dbraw/zinc/07/56/75/303075675.db2.gz KRFKVTWSQQFMEX-OKILXGFUSA-N 2 2 347.463 1.783 20 0 EDADLP FC(F)C(F)(F)COCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000189274422 303121530 /nfs/dbraw/zinc/12/15/30/303121530.db2.gz ZGPFVIZQAAFWOX-CYBMUJFWSA-N 2 2 342.377 1.948 20 0 EDADLP FC(F)C(F)(F)COCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000189274422 303121533 /nfs/dbraw/zinc/12/15/33/303121533.db2.gz ZGPFVIZQAAFWOX-CYBMUJFWSA-N 2 2 342.377 1.948 20 0 EDADLP CCOC(=O)c1cnn(C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000295537940 303231624 /nfs/dbraw/zinc/23/16/24/303231624.db2.gz JKIDNPVOOAFXQR-UHFFFAOYSA-N 2 2 331.420 1.984 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cn2cc[nH+]c12 ZINC000296976892 303350787 /nfs/dbraw/zinc/35/07/87/303350787.db2.gz NRRLNSJZHKAGQA-HNNXBMFYSA-N 2 2 343.431 1.829 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377740830 447331082 /nfs/dbraw/zinc/33/10/82/447331082.db2.gz DNEBULDVBOYNGZ-INIZCTEOSA-N 2 2 325.416 1.729 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261920193 303590208 /nfs/dbraw/zinc/59/02/08/303590208.db2.gz XNUHLZBYOAMVLT-WMZOPIPTSA-N 2 2 331.460 1.566 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299264226 303599757 /nfs/dbraw/zinc/59/97/57/303599757.db2.gz LORJCHZFPTWDOP-GXTWGEPZSA-N 2 2 329.404 1.262 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423101063 304886027 /nfs/dbraw/zinc/88/60/27/304886027.db2.gz HWJCXQWAOJDFIW-HRCADAONSA-N 2 2 339.867 1.826 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c[nH+]1 ZINC000423334953 304893038 /nfs/dbraw/zinc/89/30/38/304893038.db2.gz SYBALBVVHJEBPU-HNNXBMFYSA-N 2 2 328.420 1.199 20 0 EDADLP O=C(C[C@@H]1C[NH2+]CCO1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423847410 304912192 /nfs/dbraw/zinc/91/21/92/304912192.db2.gz OQPRFCMUQCPOHL-OAHLLOKOSA-N 2 2 338.411 1.919 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000428046164 305005605 /nfs/dbraw/zinc/00/56/05/305005605.db2.gz TZCIIUYSAGJTTL-QRTARXTBSA-N 2 2 349.450 1.865 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000428046164 305005606 /nfs/dbraw/zinc/00/56/06/305005606.db2.gz TZCIIUYSAGJTTL-QRTARXTBSA-N 2 2 349.450 1.865 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CCO1 ZINC000428059569 305006293 /nfs/dbraw/zinc/00/62/93/305006293.db2.gz NOMRUTOEPUCDEB-ROUUACIJSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CCO1 ZINC000428059569 305006294 /nfs/dbraw/zinc/00/62/94/305006294.db2.gz NOMRUTOEPUCDEB-ROUUACIJSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCO1 ZINC000428059569 305006295 /nfs/dbraw/zinc/00/62/95/305006295.db2.gz NOMRUTOEPUCDEB-ROUUACIJSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CCO1 ZINC000428059569 305006296 /nfs/dbraw/zinc/00/62/96/305006296.db2.gz NOMRUTOEPUCDEB-ROUUACIJSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CCO1 ZINC000428067773 305006664 /nfs/dbraw/zinc/00/66/64/305006664.db2.gz VUYJIIYKXUIARR-INIZCTEOSA-N 2 2 349.475 1.468 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CCO1 ZINC000428067773 305006665 /nfs/dbraw/zinc/00/66/65/305006665.db2.gz VUYJIIYKXUIARR-INIZCTEOSA-N 2 2 349.475 1.468 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)CC[N@H+]1CCCOCC1 ZINC000429678716 305034719 /nfs/dbraw/zinc/03/47/19/305034719.db2.gz CIRSCERIOQONLM-UHFFFAOYSA-N 2 2 346.519 1.463 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)CC1 ZINC000430568920 305056247 /nfs/dbraw/zinc/05/62/47/305056247.db2.gz DGZKIMDKPBMVQT-HXUWFJFHSA-N 3 2 346.519 1.602 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN[C@](C)(C[NH3+])C(C)C)CC1 ZINC000430568920 305056248 /nfs/dbraw/zinc/05/62/48/305056248.db2.gz DGZKIMDKPBMVQT-HXUWFJFHSA-N 2 2 346.519 1.602 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430570253 305056351 /nfs/dbraw/zinc/05/63/51/305056351.db2.gz BNLVQVZLUUIKRA-LJQANCHMSA-N 2 2 349.475 1.769 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000430569992 305056409 /nfs/dbraw/zinc/05/64/09/305056409.db2.gz JSRIDCJIBFDLDF-OAHLLOKOSA-N 2 2 345.365 1.918 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)C2=O)c1 ZINC000430572800 305056625 /nfs/dbraw/zinc/05/66/25/305056625.db2.gz KLTKIIDWPLHSJQ-DEYYWGMASA-N 2 2 347.459 1.868 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)C2=O)c1 ZINC000430572800 305056626 /nfs/dbraw/zinc/05/66/26/305056626.db2.gz KLTKIIDWPLHSJQ-DEYYWGMASA-N 2 2 347.459 1.868 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430602095 305057997 /nfs/dbraw/zinc/05/79/97/305057997.db2.gz GETMWJFMQLLZDP-KGLIPLIRSA-N 2 2 333.432 1.716 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430602095 305057998 /nfs/dbraw/zinc/05/79/98/305057998.db2.gz GETMWJFMQLLZDP-KGLIPLIRSA-N 2 2 333.432 1.716 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000430603733 305058184 /nfs/dbraw/zinc/05/81/84/305058184.db2.gz LASIDHHOFYZFOS-LSDHHAIUSA-N 2 2 349.475 1.942 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000430603733 305058185 /nfs/dbraw/zinc/05/81/85/305058185.db2.gz LASIDHHOFYZFOS-LSDHHAIUSA-N 2 2 349.475 1.942 20 0 EDADLP C[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)C1CC[NH2+]CC1 ZINC000430605831 305058330 /nfs/dbraw/zinc/05/83/30/305058330.db2.gz UNIKDRDVPONWKH-UHFFFAOYSA-N 2 2 330.432 1.436 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)C1CC[NH2+]CC1 ZINC000430605831 305058331 /nfs/dbraw/zinc/05/83/31/305058331.db2.gz UNIKDRDVPONWKH-UHFFFAOYSA-N 2 2 330.432 1.436 20 0 EDADLP COc1cc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)c(OC)cc1Cl ZINC000430625033 305059756 /nfs/dbraw/zinc/05/97/56/305059756.db2.gz KAZJJFXBLYLLKB-UHFFFAOYSA-N 2 2 341.839 1.980 20 0 EDADLP COc1cc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c(OC)cc1Cl ZINC000430625033 305059757 /nfs/dbraw/zinc/05/97/57/305059757.db2.gz KAZJJFXBLYLLKB-UHFFFAOYSA-N 2 2 341.839 1.980 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430629110 305060138 /nfs/dbraw/zinc/06/01/38/305060138.db2.gz PRFRAIJVOLIYQP-CYBMUJFWSA-N 2 2 330.432 1.188 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430629110 305060139 /nfs/dbraw/zinc/06/01/39/305060139.db2.gz PRFRAIJVOLIYQP-CYBMUJFWSA-N 2 2 330.432 1.188 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430647484 305061152 /nfs/dbraw/zinc/06/11/52/305061152.db2.gz QCUDLDRYVQMVQK-HNNXBMFYSA-N 2 2 346.475 1.501 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430647484 305061153 /nfs/dbraw/zinc/06/11/53/305061153.db2.gz QCUDLDRYVQMVQK-HNNXBMFYSA-N 2 2 346.475 1.501 20 0 EDADLP COc1ccc(CCNC(=O)[C@H](C)[NH+]2CCC([NH3+])CC2)cc1OC ZINC000430648764 305061179 /nfs/dbraw/zinc/06/11/79/305061179.db2.gz ZWUYVNMVBKOLSL-ZDUSSCGKSA-N 2 2 335.448 1.174 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000430707629 305063077 /nfs/dbraw/zinc/06/30/77/305063077.db2.gz YFZMJFGGHLITKN-ZWKOTPCHSA-N 2 2 331.460 1.174 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000430707629 305063078 /nfs/dbraw/zinc/06/30/78/305063078.db2.gz YFZMJFGGHLITKN-ZWKOTPCHSA-N 2 2 331.460 1.174 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000430835619 305065591 /nfs/dbraw/zinc/06/55/91/305065591.db2.gz GVTRRUIAXQVDNL-ROUUACIJSA-N 2 2 331.460 1.627 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000430934457 305068935 /nfs/dbraw/zinc/06/89/35/305068935.db2.gz MTSAWIQXYUKIAV-OAHLLOKOSA-N 2 2 335.448 1.122 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000430934457 305068936 /nfs/dbraw/zinc/06/89/36/305068936.db2.gz MTSAWIQXYUKIAV-OAHLLOKOSA-N 2 2 335.448 1.122 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000430941183 305069572 /nfs/dbraw/zinc/06/95/72/305069572.db2.gz UUDGQMTUHKJLBI-BXUZGUMPSA-N 2 2 345.365 1.871 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000430941183 305069573 /nfs/dbraw/zinc/06/95/73/305069573.db2.gz UUDGQMTUHKJLBI-BXUZGUMPSA-N 2 2 345.365 1.871 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000430950854 305070328 /nfs/dbraw/zinc/07/03/28/305070328.db2.gz JHFPYJUZMQNDPQ-CQSZACIVSA-N 2 2 341.402 1.488 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000430950854 305070329 /nfs/dbraw/zinc/07/03/29/305070329.db2.gz JHFPYJUZMQNDPQ-CQSZACIVSA-N 2 2 341.402 1.488 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cs2)c1C ZINC000430958067 305070941 /nfs/dbraw/zinc/07/09/41/305070941.db2.gz RGUYCOLVYQSNAN-LBPRGKRZSA-N 2 2 333.461 1.301 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])C3)cs2)c1C ZINC000430958067 305070942 /nfs/dbraw/zinc/07/09/42/305070942.db2.gz RGUYCOLVYQSNAN-LBPRGKRZSA-N 2 2 333.461 1.301 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430961668 305071042 /nfs/dbraw/zinc/07/10/42/305071042.db2.gz FJYDMDPFRPBQQG-HIFRSBDPSA-N 2 2 335.448 1.032 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430961668 305071043 /nfs/dbraw/zinc/07/10/43/305071043.db2.gz FJYDMDPFRPBQQG-HIFRSBDPSA-N 2 2 335.448 1.032 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC[C@@H]1[NH3+] ZINC000430974373 305071872 /nfs/dbraw/zinc/07/18/72/305071872.db2.gz ZALZQBXLYFEENR-AEFFLSMTSA-N 2 2 345.487 1.520 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC[C@@H]1[NH3+] ZINC000430974373 305071873 /nfs/dbraw/zinc/07/18/73/305071873.db2.gz ZALZQBXLYFEENR-AEFFLSMTSA-N 2 2 345.487 1.520 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431075906 305074438 /nfs/dbraw/zinc/07/44/38/305074438.db2.gz HRHNQGVEVWIVAC-UHFFFAOYSA-N 3 2 339.484 1.586 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000433941927 305115326 /nfs/dbraw/zinc/11/53/26/305115326.db2.gz ONYKPWVHSSMDCE-MRXNPFEDSA-N 2 2 336.480 1.121 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434192860 305118655 /nfs/dbraw/zinc/11/86/55/305118655.db2.gz CPPGQHNOTAKNLB-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434192860 305118656 /nfs/dbraw/zinc/11/86/56/305118656.db2.gz CPPGQHNOTAKNLB-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000434280848 305119472 /nfs/dbraw/zinc/11/94/72/305119472.db2.gz OIXBPRKXEJZYBE-GJZGRUSLSA-N 2 2 328.501 1.325 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC2(O)CCOCC2)C1 ZINC000434508483 305123932 /nfs/dbraw/zinc/12/39/32/305123932.db2.gz CGCMOKYPBDYHHX-HNNXBMFYSA-N 2 2 339.505 1.747 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC2(O)CCOCC2)C1 ZINC000434508483 305123933 /nfs/dbraw/zinc/12/39/33/305123933.db2.gz CGCMOKYPBDYHHX-HNNXBMFYSA-N 2 2 339.505 1.747 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC2(O)CCOCC2)C1 ZINC000434508483 305123934 /nfs/dbraw/zinc/12/39/34/305123934.db2.gz CGCMOKYPBDYHHX-HNNXBMFYSA-N 2 2 339.505 1.747 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC2(O)CCOCC2)C1 ZINC000434508483 305123935 /nfs/dbraw/zinc/12/39/35/305123935.db2.gz CGCMOKYPBDYHHX-HNNXBMFYSA-N 2 2 339.505 1.747 20 0 EDADLP C[N@H+](CC(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000434655999 305126382 /nfs/dbraw/zinc/12/63/82/305126382.db2.gz KWCJLHXDVCUONQ-IBGZPJMESA-N 2 2 345.487 1.688 20 0 EDADLP C[N@@H+](CC(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000434655999 305126383 /nfs/dbraw/zinc/12/63/83/305126383.db2.gz KWCJLHXDVCUONQ-IBGZPJMESA-N 2 2 345.487 1.688 20 0 EDADLP C[NH+](CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000434655999 305126384 /nfs/dbraw/zinc/12/63/84/305126384.db2.gz KWCJLHXDVCUONQ-IBGZPJMESA-N 2 2 345.487 1.688 20 0 EDADLP C[NH+](CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000434655999 305126385 /nfs/dbraw/zinc/12/63/85/305126385.db2.gz KWCJLHXDVCUONQ-IBGZPJMESA-N 2 2 345.487 1.688 20 0 EDADLP COc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCC(=O)N1CCCC1 ZINC000435384783 305139567 /nfs/dbraw/zinc/13/95/67/305139567.db2.gz OLGUAGLPJHYLRA-UHFFFAOYSA-N 2 2 347.459 1.620 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCCNc1cc[nH+]cc1)[NH+]1CCOCC1 ZINC000439046460 305193066 /nfs/dbraw/zinc/19/30/66/305193066.db2.gz XUVJLMQXXPZWRQ-KRWDZBQOSA-N 2 2 334.464 1.169 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000439838231 305202404 /nfs/dbraw/zinc/20/24/04/305202404.db2.gz RTEFTYPDVSEZSA-QGZVFWFLSA-N 2 2 336.480 1.949 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000442261876 305227538 /nfs/dbraw/zinc/22/75/38/305227538.db2.gz GFAVLGQBWKIGGA-KBPBESRZSA-N 2 2 341.415 1.362 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000442261876 305227539 /nfs/dbraw/zinc/22/75/39/305227539.db2.gz GFAVLGQBWKIGGA-KBPBESRZSA-N 2 2 341.415 1.362 20 0 EDADLP CCN1C[C@H](C)[N@H+](C[C@@H](O)CN2C[C@H](C)[NH+](CC)C[C@H]2C)C[C@@H]1C ZINC000447316134 305278127 /nfs/dbraw/zinc/27/81/27/305278127.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[N@@H+](C[C@@H](O)CN2C[C@H](C)[NH+](CC)C[C@H]2C)C[C@@H]1C ZINC000447316134 305278128 /nfs/dbraw/zinc/27/81/28/305278128.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[NH+](C[C@@H](O)CN2C[C@H](C)[N@H+](CC)C[C@H]2C)C[C@@H]1C ZINC000447316134 305278129 /nfs/dbraw/zinc/27/81/29/305278129.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[NH+](C[C@@H](O)CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)C[C@@H]1C ZINC000447316134 305278130 /nfs/dbraw/zinc/27/81/30/305278130.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@@H](C)[N@H+](C[C@H](O)CN2C[C@H](C)[NH+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316134 305278131 /nfs/dbraw/zinc/27/81/31/305278131.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@@H](C)[N@@H+](C[C@H](O)CN2C[C@H](C)[NH+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316134 305278132 /nfs/dbraw/zinc/27/81/32/305278132.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@@H](C)[NH+](C[C@H](O)CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316134 305278133 /nfs/dbraw/zinc/27/81/33/305278133.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@@H](C)[NH+](C[C@H](O)CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316134 305278134 /nfs/dbraw/zinc/27/81/34/305278134.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 2 340.556 1.176 20 0 EDADLP COC(=O)COC[C@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000449069588 305305708 /nfs/dbraw/zinc/30/57/08/305305708.db2.gz HFWFMDYIEADYSO-HNNXBMFYSA-N 2 2 334.460 1.991 20 0 EDADLP COC(=O)COC[C@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000449069588 305305709 /nfs/dbraw/zinc/30/57/09/305305709.db2.gz HFWFMDYIEADYSO-HNNXBMFYSA-N 2 2 334.460 1.991 20 0 EDADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000449243468 305309533 /nfs/dbraw/zinc/30/95/33/305309533.db2.gz KZSCHZZGKAGNNP-YLJYHZDGSA-N 3 2 331.504 1.738 20 0 EDADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000449243468 305309534 /nfs/dbraw/zinc/30/95/34/305309534.db2.gz KZSCHZZGKAGNNP-YLJYHZDGSA-N 3 2 331.504 1.738 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449731294 305318152 /nfs/dbraw/zinc/31/81/52/305318152.db2.gz VFJYMWMCKRZYRA-NDBYEHHHSA-N 2 2 339.402 1.516 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000450596194 305330277 /nfs/dbraw/zinc/33/02/77/305330277.db2.gz NEQSEDOOSMFRCL-HZPDHXFCSA-N 2 2 349.479 1.087 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000450596194 305330278 /nfs/dbraw/zinc/33/02/78/305330278.db2.gz NEQSEDOOSMFRCL-HZPDHXFCSA-N 2 2 349.479 1.087 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)[NH+]1CCOCC1 ZINC000451366503 305341734 /nfs/dbraw/zinc/34/17/34/305341734.db2.gz YHDRLPFGFCZHNW-YZLZLFLDSA-N 2 2 347.503 1.357 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)[NH+]1CCOCC1 ZINC000451366503 305341735 /nfs/dbraw/zinc/34/17/35/305341735.db2.gz YHDRLPFGFCZHNW-YZLZLFLDSA-N 2 2 347.503 1.357 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000452395330 305397707 /nfs/dbraw/zinc/39/77/07/305397707.db2.gz WKOMBUDHIOAROC-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000452395330 305397708 /nfs/dbraw/zinc/39/77/08/305397708.db2.gz WKOMBUDHIOAROC-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000452395330 305397709 /nfs/dbraw/zinc/39/77/09/305397709.db2.gz WKOMBUDHIOAROC-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000452395330 305397710 /nfs/dbraw/zinc/39/77/10/305397710.db2.gz WKOMBUDHIOAROC-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP C[C@@H](C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000495081450 305635428 /nfs/dbraw/zinc/63/54/28/305635428.db2.gz UNSBZPAQGGNMDK-RDJZCZTQSA-N 2 2 334.512 1.899 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000514944324 305710647 /nfs/dbraw/zinc/71/06/47/305710647.db2.gz PAEIXILFMYKLDU-CVEARBPZSA-N 2 2 333.476 1.953 20 0 EDADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000414924213 447359690 /nfs/dbraw/zinc/35/96/90/447359690.db2.gz ILEQUWIAXWZNFF-AWEZNQCLSA-N 2 2 341.415 1.474 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000660739569 453555433 /nfs/dbraw/zinc/55/54/33/453555433.db2.gz HCLLFAQHNZGUNY-KBPBESRZSA-N 2 2 325.419 1.504 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000660739569 453555448 /nfs/dbraw/zinc/55/54/48/453555448.db2.gz HCLLFAQHNZGUNY-KBPBESRZSA-N 2 2 325.419 1.504 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000660739569 453555452 /nfs/dbraw/zinc/55/54/52/453555452.db2.gz HCLLFAQHNZGUNY-KBPBESRZSA-N 2 2 325.419 1.504 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000660739569 453555459 /nfs/dbraw/zinc/55/54/59/453555459.db2.gz HCLLFAQHNZGUNY-KBPBESRZSA-N 2 2 325.419 1.504 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523376956 305809390 /nfs/dbraw/zinc/80/93/90/305809390.db2.gz QYFQFTIZQNDJTA-HUUCEWRRSA-N 2 2 342.447 1.760 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528694762 305884941 /nfs/dbraw/zinc/88/49/41/305884941.db2.gz XZFNYCMCGRBUHI-CQSZACIVSA-N 2 2 326.404 1.733 20 0 EDADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000530519017 305941807 /nfs/dbraw/zinc/94/18/07/305941807.db2.gz WRIJQLLSFOTCLO-HOCLYGCPSA-N 2 2 342.447 1.312 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000534144869 306004083 /nfs/dbraw/zinc/00/40/83/306004083.db2.gz LQESMQJXVRFNGY-DLBZAZTESA-N 2 2 335.448 1.069 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000534307103 306005592 /nfs/dbraw/zinc/00/55/92/306005592.db2.gz MTDSODOTSWBWLC-UHFFFAOYSA-N 2 2 342.447 1.856 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000539020721 306034012 /nfs/dbraw/zinc/03/40/12/306034012.db2.gz JNCDMBBDIPRCOS-WMLDXEAASA-N 2 2 337.489 1.511 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000539020721 306034013 /nfs/dbraw/zinc/03/40/13/306034013.db2.gz JNCDMBBDIPRCOS-WMLDXEAASA-N 2 2 337.489 1.511 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccn(C)n1 ZINC000542670619 306056514 /nfs/dbraw/zinc/05/65/14/306056514.db2.gz IBADTVYAERDYSO-INIZCTEOSA-N 2 2 328.464 1.808 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C2)CC1 ZINC000542784265 306058214 /nfs/dbraw/zinc/05/82/14/306058214.db2.gz AOFPKXSMTLJHKC-SFHVURJKSA-N 2 2 345.491 1.146 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000544519139 306075744 /nfs/dbraw/zinc/07/57/44/306075744.db2.gz RFGLHOFIVCIHEV-ZDUSSCGKSA-N 2 2 344.419 1.163 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000544928589 306079739 /nfs/dbraw/zinc/07/97/39/306079739.db2.gz YJCJBGGUCKBVFY-UHFFFAOYSA-N 2 2 349.442 1.996 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000548063023 306118902 /nfs/dbraw/zinc/11/89/02/306118902.db2.gz BZVUFPALBOTYFA-INIZCTEOSA-N 2 2 327.432 1.751 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000548063023 306118903 /nfs/dbraw/zinc/11/89/03/306118903.db2.gz BZVUFPALBOTYFA-INIZCTEOSA-N 2 2 327.432 1.751 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548282108 306123155 /nfs/dbraw/zinc/12/31/55/306123155.db2.gz ZJNWEJJYULGZME-INIZCTEOSA-N 2 2 349.479 1.387 20 0 EDADLP CC1CC[NH+](CCCNC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000550139006 306151130 /nfs/dbraw/zinc/15/11/30/306151130.db2.gz IFTFSBDXPYWNSH-UHFFFAOYSA-N 2 2 349.479 1.018 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CCCC[NH+](C)C)c[nH+]2)CCO1 ZINC000552114982 306175390 /nfs/dbraw/zinc/17/53/90/306175390.db2.gz IUBLYMCYYVMCKE-OAHLLOKOSA-N 2 2 334.464 1.655 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000557218794 306226630 /nfs/dbraw/zinc/22/66/30/306226630.db2.gz BROISDKVRXXJFY-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH+]1CCOCC1 ZINC000557481391 306228300 /nfs/dbraw/zinc/22/83/00/306228300.db2.gz MJDLUMTUEVJMMK-AEFFLSMTSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+]1CC(C)C1 ZINC000557564452 306229442 /nfs/dbraw/zinc/22/94/42/306229442.db2.gz SJALBQZEGZJCNR-INIZCTEOSA-N 2 2 331.460 1.840 20 0 EDADLP CC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H]1CCCCO1 ZINC000665270428 453631037 /nfs/dbraw/zinc/63/10/37/453631037.db2.gz XYYRVCYAAQQVGY-JKSUJKDBSA-N 2 2 328.501 1.517 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000458525918 447400400 /nfs/dbraw/zinc/40/04/00/447400400.db2.gz DXVGVDRUWFHLMM-ZACQAIPSSA-N 2 2 338.496 1.127 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000458525918 447400393 /nfs/dbraw/zinc/40/03/93/447400393.db2.gz DXVGVDRUWFHLMM-ZACQAIPSSA-N 2 2 338.496 1.127 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000458525918 447400405 /nfs/dbraw/zinc/40/04/05/447400405.db2.gz DXVGVDRUWFHLMM-ZACQAIPSSA-N 2 2 338.496 1.127 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000458525918 447400413 /nfs/dbraw/zinc/40/04/13/447400413.db2.gz DXVGVDRUWFHLMM-ZACQAIPSSA-N 2 2 338.496 1.127 20 0 EDADLP Cc1cc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000422214487 447406272 /nfs/dbraw/zinc/40/62/72/447406272.db2.gz SMXIYCOMJKZMHA-QGZVFWFLSA-N 2 2 332.448 1.705 20 0 EDADLP CCC(CC)(C[NH3+])NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000415301475 447406516 /nfs/dbraw/zinc/40/65/16/447406516.db2.gz LXSCJEWXEOMENO-UHFFFAOYSA-N 2 2 335.452 1.866 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC[NH+]1CCC(O)CC1 ZINC000456578487 447417057 /nfs/dbraw/zinc/41/70/57/447417057.db2.gz FDCRLWYLOKYOOQ-UHFFFAOYSA-N 2 2 330.432 1.308 20 0 EDADLP CCOC[C@@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458608820 447425152 /nfs/dbraw/zinc/42/51/52/447425152.db2.gz YYRZUJDOUWTJKX-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000426384432 447432115 /nfs/dbraw/zinc/43/21/15/447432115.db2.gz YQXLYXHZUPQMII-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000426384432 447432121 /nfs/dbraw/zinc/43/21/21/447432121.db2.gz YQXLYXHZUPQMII-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP CC1CC[NH+](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000045370957 440979334 /nfs/dbraw/zinc/97/93/34/440979334.db2.gz GDINGLUMMMPEPO-UHFFFAOYSA-N 2 2 331.464 1.645 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000045426111 440983832 /nfs/dbraw/zinc/98/38/32/440983832.db2.gz CHXRVUURZUNDBA-HNNXBMFYSA-N 2 2 329.448 1.908 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000045426111 440983837 /nfs/dbraw/zinc/98/38/37/440983837.db2.gz CHXRVUURZUNDBA-HNNXBMFYSA-N 2 2 329.448 1.908 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045764035 441033458 /nfs/dbraw/zinc/03/34/58/441033458.db2.gz NHDGBDBIJUIFKL-HNNXBMFYSA-N 2 2 328.416 1.382 20 0 EDADLP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000070010724 441102937 /nfs/dbraw/zinc/10/29/37/441102937.db2.gz QNJCKZXJLWQJRX-RTBURBONSA-N 2 2 348.487 1.779 20 0 EDADLP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000070010724 441102941 /nfs/dbraw/zinc/10/29/41/441102941.db2.gz QNJCKZXJLWQJRX-RTBURBONSA-N 2 2 348.487 1.779 20 0 EDADLP C[NH+]1CCC(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000047885885 441234436 /nfs/dbraw/zinc/23/44/36/441234436.db2.gz VUGLNKZREOCMSE-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047597490 441207903 /nfs/dbraw/zinc/20/79/03/441207903.db2.gz WUCMFYGDWSJYBP-UHFFFAOYSA-N 2 2 328.420 1.636 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000104789648 441209782 /nfs/dbraw/zinc/20/97/82/441209782.db2.gz VZTFLVWIPOAJPT-KRWDZBQOSA-N 2 2 343.431 1.061 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000104842476 441214221 /nfs/dbraw/zinc/21/42/21/441214221.db2.gz LOESWPUFXKGPFY-LJQANCHMSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105303001 441250632 /nfs/dbraw/zinc/25/06/32/441250632.db2.gz IYEDWKODXAJGQH-GJZGRUSLSA-N 2 2 335.452 1.339 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000105786377 441268431 /nfs/dbraw/zinc/26/84/31/441268431.db2.gz AUPLOGVSLXNELY-OAHLLOKOSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000105786377 441268435 /nfs/dbraw/zinc/26/84/35/441268435.db2.gz AUPLOGVSLXNELY-OAHLLOKOSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876131 441304152 /nfs/dbraw/zinc/30/41/52/441304152.db2.gz JBXHZJKQQYULMD-ZDUSSCGKSA-N 2 2 328.420 1.492 20 0 EDADLP CC[NH+](CC)CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000063757760 441350459 /nfs/dbraw/zinc/35/04/59/441350459.db2.gz IXQQVLJQOBJYMJ-UHFFFAOYSA-N 2 2 346.475 1.032 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cscn3)CC2)CC1 ZINC000051310315 441407594 /nfs/dbraw/zinc/40/75/94/441407594.db2.gz MHNCQAQBZCGODS-UHFFFAOYSA-N 2 2 337.493 1.501 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CC(=O)N3CCCC3)c2cc1C ZINC000051149116 441401485 /nfs/dbraw/zinc/40/14/85/441401485.db2.gz NFGTXYKPABXVRB-INIZCTEOSA-N 2 2 344.459 1.568 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CC(=O)N3CCCC3)c2cc1C ZINC000051149116 441401490 /nfs/dbraw/zinc/40/14/90/441401490.db2.gz NFGTXYKPABXVRB-INIZCTEOSA-N 2 2 344.459 1.568 20 0 EDADLP Cc1nc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc1C ZINC000051235950 441404389 /nfs/dbraw/zinc/40/43/89/441404389.db2.gz DWLBRAFVSAYNMD-UHFFFAOYSA-N 2 2 335.452 1.972 20 0 EDADLP CC(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000065961375 441497353 /nfs/dbraw/zinc/49/73/53/441497353.db2.gz ILUNLABHGJZRKG-UHFFFAOYSA-N 2 2 345.487 1.854 20 0 EDADLP CC(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000065961375 441497356 /nfs/dbraw/zinc/49/73/56/441497356.db2.gz ILUNLABHGJZRKG-UHFFFAOYSA-N 2 2 345.487 1.854 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)S1 ZINC000085821279 441451895 /nfs/dbraw/zinc/45/18/95/441451895.db2.gz DKLQNKHDCDRURO-HNNXBMFYSA-N 2 2 349.500 1.925 20 0 EDADLP C[C@@H](CCO)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074768377 441465306 /nfs/dbraw/zinc/46/53/06/441465306.db2.gz FDSORMKGHUWPMW-INIZCTEOSA-N 2 2 340.512 1.254 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000112739058 441557087 /nfs/dbraw/zinc/55/70/87/441557087.db2.gz VUDWVHFCEBXAKD-CYBMUJFWSA-N 2 2 330.436 1.896 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccccc1 ZINC000112921473 441568125 /nfs/dbraw/zinc/56/81/25/441568125.db2.gz MMFWSPJUULTGBO-UHFFFAOYSA-N 2 2 332.448 1.110 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccccc1 ZINC000112921473 441568129 /nfs/dbraw/zinc/56/81/29/441568129.db2.gz MMFWSPJUULTGBO-UHFFFAOYSA-N 2 2 332.448 1.110 20 0 EDADLP CC(C)(CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCOCC1 ZINC000054376290 441575475 /nfs/dbraw/zinc/57/54/75/441575475.db2.gz YVLJOSHVQYRINH-UHFFFAOYSA-N 2 2 347.463 1.024 20 0 EDADLP Cc1cc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000066860349 441576290 /nfs/dbraw/zinc/57/62/90/441576290.db2.gz XLPSFKILDQVGMI-UHFFFAOYSA-N 2 2 331.464 1.474 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066920235 441587322 /nfs/dbraw/zinc/58/73/22/441587322.db2.gz WULJCBBYRKOPRJ-UXLLHSPISA-N 2 2 336.480 1.832 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066920235 441587325 /nfs/dbraw/zinc/58/73/25/441587325.db2.gz WULJCBBYRKOPRJ-UXLLHSPISA-N 2 2 336.480 1.832 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1)C1CC1 ZINC000089926630 441596108 /nfs/dbraw/zinc/59/61/08/441596108.db2.gz BVGAXXSPADAIOA-CQSZACIVSA-N 2 2 331.464 1.332 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(C)c1 ZINC000089926888 441596346 /nfs/dbraw/zinc/59/63/46/441596346.db2.gz CDKFOPYWRHDCLB-KRWDZBQOSA-N 2 2 344.459 1.599 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000089926764 441596734 /nfs/dbraw/zinc/59/67/34/441596734.db2.gz DOBUROXGXYBMEN-INIZCTEOSA-N 2 2 330.432 1.290 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000076094526 441597130 /nfs/dbraw/zinc/59/71/30/441597130.db2.gz MTXPGEOJNNCINE-LBPRGKRZSA-N 2 2 345.369 1.825 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[NH+]3CCCCC3)ccc2n1C ZINC000076227043 441614765 /nfs/dbraw/zinc/61/47/65/441614765.db2.gz IHIKJMPHCINBBC-UHFFFAOYSA-N 2 2 343.431 1.422 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000090679985 441640889 /nfs/dbraw/zinc/64/08/89/441640889.db2.gz XHIDJPTURULTGE-BZUAXINKSA-N 2 2 347.463 1.900 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000090679985 441640895 /nfs/dbraw/zinc/64/08/95/441640895.db2.gz XHIDJPTURULTGE-BZUAXINKSA-N 2 2 347.463 1.900 20 0 EDADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173293153 441704651 /nfs/dbraw/zinc/70/46/51/441704651.db2.gz RGMPTEBWYYVSNY-CQSZACIVSA-N 2 2 336.461 1.874 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158908801 441772477 /nfs/dbraw/zinc/77/24/77/441772477.db2.gz HYKUYCNCJKPQEX-SJORKVTESA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158908801 441772483 /nfs/dbraw/zinc/77/24/83/441772483.db2.gz HYKUYCNCJKPQEX-SJORKVTESA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158908801 441772487 /nfs/dbraw/zinc/77/24/87/441772487.db2.gz HYKUYCNCJKPQEX-SJORKVTESA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158908801 441772488 /nfs/dbraw/zinc/77/24/88/441772488.db2.gz HYKUYCNCJKPQEX-SJORKVTESA-N 2 2 325.497 1.581 20 0 EDADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253734 441783234 /nfs/dbraw/zinc/78/32/34/441783234.db2.gz DMXWUBXFLNCBDX-INIZCTEOSA-N 3 2 332.496 1.002 20 0 EDADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253734 441783243 /nfs/dbraw/zinc/78/32/43/441783243.db2.gz DMXWUBXFLNCBDX-INIZCTEOSA-N 3 2 332.496 1.002 20 0 EDADLP C[NH+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253734 441783251 /nfs/dbraw/zinc/78/32/51/441783251.db2.gz DMXWUBXFLNCBDX-INIZCTEOSA-N 3 2 332.496 1.002 20 0 EDADLP C[NH+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253734 441783257 /nfs/dbraw/zinc/78/32/57/441783257.db2.gz DMXWUBXFLNCBDX-INIZCTEOSA-N 3 2 332.496 1.002 20 0 EDADLP C[NH+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000042923945 441799381 /nfs/dbraw/zinc/79/93/81/441799381.db2.gz IFIDZYRALSAKGY-UHFFFAOYSA-N 2 2 334.464 1.270 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093148118 441860971 /nfs/dbraw/zinc/86/09/71/441860971.db2.gz VEMBLEOHRSKBGQ-HNNXBMFYSA-N 2 2 336.505 1.449 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093148118 441860973 /nfs/dbraw/zinc/86/09/73/441860973.db2.gz VEMBLEOHRSKBGQ-HNNXBMFYSA-N 2 2 336.505 1.449 20 0 EDADLP C[NH+]1CCC(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000043180578 441825255 /nfs/dbraw/zinc/82/52/55/441825255.db2.gz ZZVMTLVXAWLCPM-UHFFFAOYSA-N 2 2 346.475 1.487 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000139910093 441829582 /nfs/dbraw/zinc/82/95/82/441829582.db2.gz WVPHAWBKSZCBGV-WBVHZDCISA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000139910093 441829587 /nfs/dbraw/zinc/82/95/87/441829587.db2.gz WVPHAWBKSZCBGV-WBVHZDCISA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000139910093 441829591 /nfs/dbraw/zinc/82/95/91/441829591.db2.gz WVPHAWBKSZCBGV-WBVHZDCISA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000139910093 441829595 /nfs/dbraw/zinc/82/95/95/441829595.db2.gz WVPHAWBKSZCBGV-WBVHZDCISA-N 2 2 345.443 1.828 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173978293 441873305 /nfs/dbraw/zinc/87/33/05/441873305.db2.gz WPFQOQWVIDNRPK-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173978293 441873310 /nfs/dbraw/zinc/87/33/10/441873310.db2.gz WPFQOQWVIDNRPK-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173978293 441873312 /nfs/dbraw/zinc/87/33/12/441873312.db2.gz WPFQOQWVIDNRPK-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173978293 441873318 /nfs/dbraw/zinc/87/33/18/441873318.db2.gz WPFQOQWVIDNRPK-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP CN(c1ccccc1C[NH2+]Cc1ncn(C)n1)C1CC[NH+](C)CC1 ZINC000092851172 441834512 /nfs/dbraw/zinc/83/45/12/441834512.db2.gz CGBMSTXZLDEOCI-UHFFFAOYSA-N 2 2 328.464 1.635 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3(CO)CCOCC3)c2cc1C ZINC000069247638 441908229 /nfs/dbraw/zinc/90/82/29/441908229.db2.gz QWGIHOUAAMPNOD-OAHLLOKOSA-N 2 2 333.432 1.145 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2cc[nH]n2)([NH+]2CCCCC2)CC1 ZINC000174052319 441883874 /nfs/dbraw/zinc/88/38/74/441883874.db2.gz QEBRKSAKAUBOCR-UHFFFAOYSA-N 2 2 334.468 1.159 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC ZINC000150840662 441960609 /nfs/dbraw/zinc/96/06/09/441960609.db2.gz CNGNNERNPSZKGX-ZMSDIMECSA-N 2 2 339.480 1.108 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC ZINC000150840662 441960613 /nfs/dbraw/zinc/96/06/13/441960613.db2.gz CNGNNERNPSZKGX-ZMSDIMECSA-N 2 2 339.480 1.108 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000174763812 441965980 /nfs/dbraw/zinc/96/59/80/441965980.db2.gz CDJPUXUVBZRBEL-MRXNPFEDSA-N 2 2 332.379 1.348 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000174763812 441965988 /nfs/dbraw/zinc/96/59/88/441965988.db2.gz CDJPUXUVBZRBEL-MRXNPFEDSA-N 2 2 332.379 1.348 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000119980329 441987143 /nfs/dbraw/zinc/98/71/43/441987143.db2.gz SYWMAYNBZURBOS-OAGGEKHMSA-N 2 2 344.463 1.812 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000120078163 442003920 /nfs/dbraw/zinc/00/39/20/442003920.db2.gz BQHFANHAKCVOKL-HOTGVXAUSA-N 2 2 339.505 1.074 20 0 EDADLP CCn1cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000151765371 442117816 /nfs/dbraw/zinc/11/78/16/442117816.db2.gz USCJTQZZNMRELR-HNAYVOBHSA-N 2 2 328.460 1.973 20 0 EDADLP CCn1cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000151765371 442117818 /nfs/dbraw/zinc/11/78/18/442117818.db2.gz USCJTQZZNMRELR-HNAYVOBHSA-N 2 2 328.460 1.973 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151801676 442122302 /nfs/dbraw/zinc/12/23/02/442122302.db2.gz FZYWRSGVMNCSAZ-LPHOPBHVSA-N 2 2 347.503 1.642 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151801676 442122305 /nfs/dbraw/zinc/12/23/05/442122305.db2.gz FZYWRSGVMNCSAZ-LPHOPBHVSA-N 2 2 347.503 1.642 20 0 EDADLP COc1ccccc1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162783476 442122709 /nfs/dbraw/zinc/12/27/09/442122709.db2.gz GQLCTSPKGVCDAF-MRXNPFEDSA-N 2 2 347.459 1.312 20 0 EDADLP COc1ccccc1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162783476 442122715 /nfs/dbraw/zinc/12/27/15/442122715.db2.gz GQLCTSPKGVCDAF-MRXNPFEDSA-N 2 2 347.459 1.312 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000120779940 442131661 /nfs/dbraw/zinc/13/16/61/442131661.db2.gz BHRIWBOIXKZXQY-ZDUSSCGKSA-N 2 2 326.238 1.093 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2cccc(Br)c2)[C@@H](C[NH3+])C1 ZINC000120779940 442131664 /nfs/dbraw/zinc/13/16/64/442131664.db2.gz BHRIWBOIXKZXQY-ZDUSSCGKSA-N 2 2 326.238 1.093 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000126729109 442138836 /nfs/dbraw/zinc/13/88/36/442138836.db2.gz OXHLJOAXOUHLEA-IRXDYDNUSA-N 2 2 341.459 1.676 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000126729109 442138840 /nfs/dbraw/zinc/13/88/40/442138840.db2.gz OXHLJOAXOUHLEA-IRXDYDNUSA-N 2 2 341.459 1.676 20 0 EDADLP Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000162562886 442104314 /nfs/dbraw/zinc/10/43/14/442104314.db2.gz ASHFNWJUERGZDX-MSOLQXFVSA-N 2 2 331.460 1.267 20 0 EDADLP Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000162562886 442104320 /nfs/dbraw/zinc/10/43/20/442104320.db2.gz ASHFNWJUERGZDX-MSOLQXFVSA-N 2 2 331.460 1.267 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000152400704 442208003 /nfs/dbraw/zinc/20/80/03/442208003.db2.gz NSBOAWWZUOSPKM-UHFFFAOYSA-N 2 2 347.459 1.314 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000167396955 442220908 /nfs/dbraw/zinc/22/09/08/442220908.db2.gz ZIRRKRNZIWOPLH-YJBOKZPZSA-N 2 2 347.459 1.266 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000168161304 442223993 /nfs/dbraw/zinc/22/39/93/442223993.db2.gz ZIMBPXYWHGNQES-GJZGRUSLSA-N 2 2 337.489 1.579 20 0 EDADLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000168582704 442224899 /nfs/dbraw/zinc/22/48/99/442224899.db2.gz PRZCIFYMRZSKMU-JKSUJKDBSA-N 2 2 346.456 1.436 20 0 EDADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000168582704 442224901 /nfs/dbraw/zinc/22/49/01/442224901.db2.gz PRZCIFYMRZSKMU-JKSUJKDBSA-N 2 2 346.456 1.436 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C[N@@H+]1C1CC1 ZINC000127930590 442234835 /nfs/dbraw/zinc/23/48/35/442234835.db2.gz CJIGYKBHNDJDPG-NVXWUHKLSA-N 2 2 343.475 1.534 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C[N@H+]1C1CC1 ZINC000127930590 442234836 /nfs/dbraw/zinc/23/48/36/442234836.db2.gz CJIGYKBHNDJDPG-NVXWUHKLSA-N 2 2 343.475 1.534 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cncs1 ZINC000128699780 442282944 /nfs/dbraw/zinc/28/29/44/442282944.db2.gz BIOIULFQZLHTEA-CQSZACIVSA-N 2 2 345.472 1.928 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC[NH+]2CCCC2)C1 ZINC000153453190 442283595 /nfs/dbraw/zinc/28/35/95/442283595.db2.gz HVXCHSSCEOYIGZ-MRXNPFEDSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC[NH+]2CCCC2)C1 ZINC000153453190 442283598 /nfs/dbraw/zinc/28/35/98/442283598.db2.gz HVXCHSSCEOYIGZ-MRXNPFEDSA-N 2 2 339.480 1.206 20 0 EDADLP C[C@H]1C[NH+](CC2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)O1 ZINC000171233348 442331250 /nfs/dbraw/zinc/33/12/50/442331250.db2.gz SKVPICWLNQUBMP-KBPBESRZSA-N 2 2 344.463 1.689 20 0 EDADLP CC(C)N(C(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000177384189 442334721 /nfs/dbraw/zinc/33/47/21/442334721.db2.gz HVBNADSLWNMTMJ-QGZVFWFLSA-N 2 2 340.556 1.978 20 0 EDADLP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000177384189 442334723 /nfs/dbraw/zinc/33/47/23/442334723.db2.gz HVBNADSLWNMTMJ-QGZVFWFLSA-N 2 2 340.556 1.978 20 0 EDADLP CC(C)N(C(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000177384189 442334725 /nfs/dbraw/zinc/33/47/25/442334725.db2.gz HVBNADSLWNMTMJ-QGZVFWFLSA-N 2 2 340.556 1.978 20 0 EDADLP CC(C)N(C(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000177384189 442334728 /nfs/dbraw/zinc/33/47/28/442334728.db2.gz HVBNADSLWNMTMJ-QGZVFWFLSA-N 2 2 340.556 1.978 20 0 EDADLP c1ccc(OCCOCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129388749 442314509 /nfs/dbraw/zinc/31/45/09/442314509.db2.gz NXIXTIHDPASKHF-GOSISDBHSA-N 2 2 334.460 1.736 20 0 EDADLP c1ccc(OCCOCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129388749 442314512 /nfs/dbraw/zinc/31/45/12/442314512.db2.gz NXIXTIHDPASKHF-GOSISDBHSA-N 2 2 334.460 1.736 20 0 EDADLP CNC(=O)C[NH+]1CCC(N[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000129459314 442317359 /nfs/dbraw/zinc/31/73/59/442317359.db2.gz VECRBVCFPOAEOW-LJQANCHMSA-N 2 2 344.503 1.103 20 0 EDADLP CNC(=O)C[NH+]1CCC(N[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000129459314 442317363 /nfs/dbraw/zinc/31/73/63/442317363.db2.gz VECRBVCFPOAEOW-LJQANCHMSA-N 2 2 344.503 1.103 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(Cc2cn3c(cccc3C)[nH+]2)CC1 ZINC000171685003 442370019 /nfs/dbraw/zinc/37/00/19/442370019.db2.gz MIEBYDHRVFEQFD-UHFFFAOYSA-N 2 2 343.475 1.629 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000177831867 442389474 /nfs/dbraw/zinc/38/94/74/442389474.db2.gz XTRCDUWDFKFUAE-LPHOPBHVSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000177831867 442389479 /nfs/dbraw/zinc/38/94/79/442389479.db2.gz XTRCDUWDFKFUAE-LPHOPBHVSA-N 2 2 345.487 1.906 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000177838484 442390253 /nfs/dbraw/zinc/39/02/53/442390253.db2.gz FMYIXEDNQCQMFJ-WMZOPIPTSA-N 2 2 334.460 1.903 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000177838484 442390257 /nfs/dbraw/zinc/39/02/57/442390257.db2.gz FMYIXEDNQCQMFJ-WMZOPIPTSA-N 2 2 334.460 1.903 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000177838484 442390260 /nfs/dbraw/zinc/39/02/60/442390260.db2.gz FMYIXEDNQCQMFJ-WMZOPIPTSA-N 2 2 334.460 1.903 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000177838484 442390266 /nfs/dbraw/zinc/39/02/66/442390266.db2.gz FMYIXEDNQCQMFJ-WMZOPIPTSA-N 2 2 334.460 1.903 20 0 EDADLP C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@H](C)[NH+]1CCOCC1 ZINC000177959193 442397952 /nfs/dbraw/zinc/39/79/52/442397952.db2.gz QPOVBSVKEIDCOT-KBPBESRZSA-N 2 2 331.420 1.243 20 0 EDADLP O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccn2cc[nH+]c2c1 ZINC000178074064 442405908 /nfs/dbraw/zinc/40/59/08/442405908.db2.gz AOIBCKUXHCLHQR-UHFFFAOYSA-N 2 2 342.443 1.986 20 0 EDADLP CC[C@]1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000134565012 442495202 /nfs/dbraw/zinc/49/52/02/442495202.db2.gz ZSQDLHZDJGUCKG-SPYBWZPUSA-N 2 2 346.475 1.844 20 0 EDADLP CSCC[C@@H](C)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172432646 442460567 /nfs/dbraw/zinc/46/05/67/442460567.db2.gz CJNMKUCOUKIJPZ-CQSZACIVSA-N 2 2 331.526 1.287 20 0 EDADLP CSCC[C@@H](C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172432646 442460568 /nfs/dbraw/zinc/46/05/68/442460568.db2.gz CJNMKUCOUKIJPZ-CQSZACIVSA-N 2 2 331.526 1.287 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178739152 442469963 /nfs/dbraw/zinc/46/99/63/442469963.db2.gz FZRSSDHFVACRMK-NVXWUHKLSA-N 2 2 331.464 1.932 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178739152 442469970 /nfs/dbraw/zinc/46/99/70/442469970.db2.gz FZRSSDHFVACRMK-NVXWUHKLSA-N 2 2 331.464 1.932 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178739164 442470426 /nfs/dbraw/zinc/47/04/26/442470426.db2.gz FZRSSDHFVACRMK-WBVHZDCISA-N 2 2 331.464 1.932 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178739164 442470431 /nfs/dbraw/zinc/47/04/31/442470431.db2.gz FZRSSDHFVACRMK-WBVHZDCISA-N 2 2 331.464 1.932 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000178984323 442544784 /nfs/dbraw/zinc/54/47/84/442544784.db2.gz LBVSLLQOLJGDQL-UHFFFAOYSA-N 2 2 330.432 1.765 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccccc1F ZINC000172935053 442569836 /nfs/dbraw/zinc/56/98/36/442569836.db2.gz HQOMWCKFLBLRMQ-OAHLLOKOSA-N 2 2 335.423 1.808 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1ccccc1F ZINC000172935053 442569840 /nfs/dbraw/zinc/56/98/40/442569840.db2.gz HQOMWCKFLBLRMQ-OAHLLOKOSA-N 2 2 335.423 1.808 20 0 EDADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000192119011 442596894 /nfs/dbraw/zinc/59/68/94/442596894.db2.gz FZVOXSUFVIFKKY-ZBFHGGJFSA-N 2 2 333.484 1.171 20 0 EDADLP C[C@H](c1nnnn1C1CC1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000192119011 442596897 /nfs/dbraw/zinc/59/68/97/442596897.db2.gz FZVOXSUFVIFKKY-ZBFHGGJFSA-N 2 2 333.484 1.171 20 0 EDADLP COC(=O)C1CCC([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000192446201 442647108 /nfs/dbraw/zinc/64/71/08/442647108.db2.gz ZXUTYHHHKXQCRN-GMNCBBECSA-N 2 2 346.471 1.943 20 0 EDADLP COC(=O)C1CCC([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000192446201 442647111 /nfs/dbraw/zinc/64/71/11/442647111.db2.gz ZXUTYHHHKXQCRN-GMNCBBECSA-N 2 2 346.471 1.943 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000135584012 442614511 /nfs/dbraw/zinc/61/45/11/442614511.db2.gz IEDATWFCFDPZBN-KRWDZBQOSA-N 2 2 347.507 1.718 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000135584012 442614513 /nfs/dbraw/zinc/61/45/13/442614513.db2.gz IEDATWFCFDPZBN-KRWDZBQOSA-N 2 2 347.507 1.718 20 0 EDADLP CN(CCc1nccs1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179314161 442619703 /nfs/dbraw/zinc/61/97/03/442619703.db2.gz ULTLPPPFGSMNTC-UHFFFAOYSA-N 2 2 339.509 1.353 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000173189216 442621009 /nfs/dbraw/zinc/62/10/09/442621009.db2.gz JFFKTKCEJNCZKJ-GJZGRUSLSA-N 2 2 337.468 1.380 20 0 EDADLP CC[C@@]1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000135733038 442629467 /nfs/dbraw/zinc/62/94/67/442629467.db2.gz RTMADRFUCOGIGS-IBGZPJMESA-N 2 2 346.475 1.621 20 0 EDADLP CC[C@@]1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000135733038 442629469 /nfs/dbraw/zinc/62/94/69/442629469.db2.gz RTMADRFUCOGIGS-IBGZPJMESA-N 2 2 346.475 1.621 20 0 EDADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000181028640 442675804 /nfs/dbraw/zinc/67/58/04/442675804.db2.gz CZTNIGYGLXSVDV-IEBWSBKVSA-N 2 2 343.471 1.505 20 0 EDADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181035361 442676685 /nfs/dbraw/zinc/67/66/85/442676685.db2.gz DWUIVJMCLGSKGL-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCc2ccncc2)C1 ZINC000181445626 442697572 /nfs/dbraw/zinc/69/75/72/442697572.db2.gz RCHSHFJNEKIGLP-GOSISDBHSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCc2ccncc2)C1 ZINC000181445626 442697573 /nfs/dbraw/zinc/69/75/73/442697573.db2.gz RCHSHFJNEKIGLP-GOSISDBHSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCc2ccncc2)C1 ZINC000181445626 442697574 /nfs/dbraw/zinc/69/75/74/442697574.db2.gz RCHSHFJNEKIGLP-GOSISDBHSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCc2ccncc2)C1 ZINC000181445626 442697575 /nfs/dbraw/zinc/69/75/75/442697575.db2.gz RCHSHFJNEKIGLP-GOSISDBHSA-N 2 2 348.491 1.029 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000136322775 442659729 /nfs/dbraw/zinc/65/97/29/442659729.db2.gz PVSPSJKPGRZITG-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@@H]21 ZINC000136322775 442659731 /nfs/dbraw/zinc/65/97/31/442659731.db2.gz PVSPSJKPGRZITG-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000188209289 442724958 /nfs/dbraw/zinc/72/49/58/442724958.db2.gz ICLVDESMBWLSOT-ZWKOTPCHSA-N 2 2 349.450 1.800 20 0 EDADLP CC(C)c1n[nH]cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000193495264 442748305 /nfs/dbraw/zinc/74/83/05/442748305.db2.gz DATWKKQXHNCDNJ-UHFFFAOYSA-N 2 2 333.480 1.822 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246691688 442803178 /nfs/dbraw/zinc/80/31/78/442803178.db2.gz WUAIYSQJWZJATF-ROUUACIJSA-N 2 2 337.508 1.822 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246691688 442803182 /nfs/dbraw/zinc/80/31/82/442803182.db2.gz WUAIYSQJWZJATF-ROUUACIJSA-N 2 2 337.508 1.822 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000182415351 442765321 /nfs/dbraw/zinc/76/53/21/442765321.db2.gz KGRVRQWLKFHYGC-ZIAGYGMSSA-N 2 2 325.478 1.673 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000182541948 442783859 /nfs/dbraw/zinc/78/38/59/442783859.db2.gz YYPRZPHAWDKTCR-YJBOKZPZSA-N 2 2 349.475 1.592 20 0 EDADLP Cn1c2ccccc2nc1CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000265552734 442821592 /nfs/dbraw/zinc/82/15/92/442821592.db2.gz ZDDOEHCWTHMMSN-UHFFFAOYSA-N 2 2 330.476 1.894 20 0 EDADLP Cn1c2ccccc2nc1CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000265552734 442821596 /nfs/dbraw/zinc/82/15/96/442821596.db2.gz ZDDOEHCWTHMMSN-UHFFFAOYSA-N 2 2 330.476 1.894 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000193968291 442821670 /nfs/dbraw/zinc/82/16/70/442821670.db2.gz XCARJKKUWOUBCI-MTQWCTHYSA-N 2 2 342.483 1.953 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C[N@H+]1CCc2ccccc2C1 ZINC000193968291 442821674 /nfs/dbraw/zinc/82/16/74/442821674.db2.gz XCARJKKUWOUBCI-MTQWCTHYSA-N 2 2 342.483 1.953 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[C@H]1[NH+](C)C ZINC000268074865 442838115 /nfs/dbraw/zinc/83/81/15/442838115.db2.gz MGZZWJJMIJLGCE-GDBMZVCRSA-N 2 2 347.463 1.010 20 0 EDADLP Cc1ncsc1/C=C/C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000188920621 442843178 /nfs/dbraw/zinc/84/31/78/442843178.db2.gz FYTPORPHAVDDLL-AATRIKPKSA-N 2 2 336.505 1.949 20 0 EDADLP Cc1ncsc1/C=C/C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000188920621 442843184 /nfs/dbraw/zinc/84/31/84/442843184.db2.gz FYTPORPHAVDDLL-AATRIKPKSA-N 2 2 336.505 1.949 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248447729 442893507 /nfs/dbraw/zinc/89/35/07/442893507.db2.gz NPEBEMAZSGCSRN-DLBZAZTESA-N 2 2 343.537 1.797 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248447729 442893509 /nfs/dbraw/zinc/89/35/09/442893509.db2.gz NPEBEMAZSGCSRN-DLBZAZTESA-N 2 2 343.537 1.797 20 0 EDADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248447729 442893511 /nfs/dbraw/zinc/89/35/11/442893511.db2.gz NPEBEMAZSGCSRN-DLBZAZTESA-N 2 2 343.537 1.797 20 0 EDADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248447729 442893514 /nfs/dbraw/zinc/89/35/14/442893514.db2.gz NPEBEMAZSGCSRN-DLBZAZTESA-N 2 2 343.537 1.797 20 0 EDADLP C[C@@H](CNC(=O)NCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000265739882 442902513 /nfs/dbraw/zinc/90/25/13/442902513.db2.gz VMDWBGJYANZDKP-AWEZNQCLSA-N 2 2 331.420 1.102 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000189392924 442938326 /nfs/dbraw/zinc/93/83/26/442938326.db2.gz QDGSNEMOGWLYMF-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000189392924 442938328 /nfs/dbraw/zinc/93/83/28/442938328.db2.gz QDGSNEMOGWLYMF-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCc2ccccc2C1 ZINC000189392924 442938331 /nfs/dbraw/zinc/93/83/31/442938331.db2.gz QDGSNEMOGWLYMF-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCc2ccccc2C1 ZINC000189392924 442938333 /nfs/dbraw/zinc/93/83/33/442938333.db2.gz QDGSNEMOGWLYMF-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP CC(C)OCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000184129156 442994779 /nfs/dbraw/zinc/99/47/79/442994779.db2.gz DHSQQNZPWWCQEP-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)[C@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000268473540 443001319 /nfs/dbraw/zinc/00/13/19/443001319.db2.gz HQNRZRGQIIWYSA-FUHWJXTLSA-N 2 2 347.507 1.295 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000268915099 443146046 /nfs/dbraw/zinc/14/60/46/443146046.db2.gz SEKCCCVZQODPBA-YEWWUXTCSA-N 2 2 328.460 1.897 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000268915099 443146050 /nfs/dbraw/zinc/14/60/50/443146050.db2.gz SEKCCCVZQODPBA-YEWWUXTCSA-N 2 2 328.460 1.897 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)/C=C/C[NH+](C)C)CC2)c1 ZINC000268989255 443167146 /nfs/dbraw/zinc/16/71/46/443167146.db2.gz QZJOOLOZKNCXBD-VMPITWQZSA-N 2 2 347.459 1.336 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C[C@H]1CCCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261853125 443171892 /nfs/dbraw/zinc/17/18/92/443171892.db2.gz YFNBHALRJSQBJZ-HZPDHXFCSA-N 2 2 346.475 1.850 20 0 EDADLP CCc1[nH+]c(C)ccc1OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000190770963 443180774 /nfs/dbraw/zinc/18/07/74/443180774.db2.gz JXAKKUGVQUZPQF-MRXNPFEDSA-N 2 2 349.475 1.804 20 0 EDADLP CCc1[nH+]c(C)ccc1OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000190770963 443180777 /nfs/dbraw/zinc/18/07/77/443180777.db2.gz JXAKKUGVQUZPQF-MRXNPFEDSA-N 2 2 349.475 1.804 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@H]3COCC[NH2+]3)n2)C1 ZINC000262303991 443189578 /nfs/dbraw/zinc/18/95/78/443189578.db2.gz BCKOOAPPRZBCQM-STQMWFEESA-N 2 2 338.477 1.692 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@H]3COCC[NH2+]3)n2)C1 ZINC000262303991 443189584 /nfs/dbraw/zinc/18/95/84/443189584.db2.gz BCKOOAPPRZBCQM-STQMWFEESA-N 2 2 338.477 1.692 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261636495 443162252 /nfs/dbraw/zinc/16/22/52/443162252.db2.gz CVWCAFIABDWSTE-JKSUJKDBSA-N 2 2 346.475 1.800 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000269172892 443222054 /nfs/dbraw/zinc/22/20/54/443222054.db2.gz VXRQGGLSDMUNSG-UHFFFAOYSA-N 2 2 336.399 1.320 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269182779 443224894 /nfs/dbraw/zinc/22/48/94/443224894.db2.gz ABHBZNHIYRJOEP-SJORKVTESA-N 2 2 329.444 1.485 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c2cc1C ZINC000190866013 443199899 /nfs/dbraw/zinc/19/98/99/443199899.db2.gz DNTGLYUWLKKKEW-XHSDSOJGSA-N 2 2 335.448 1.078 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c2cc1C ZINC000190866013 443199900 /nfs/dbraw/zinc/19/99/00/443199900.db2.gz DNTGLYUWLKKKEW-XHSDSOJGSA-N 2 2 335.448 1.078 20 0 EDADLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000266690460 443209145 /nfs/dbraw/zinc/20/91/45/443209145.db2.gz UCUGHYRTPIIKLI-JKSUJKDBSA-N 2 2 331.464 1.916 20 0 EDADLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000266690460 443209146 /nfs/dbraw/zinc/20/91/46/443209146.db2.gz UCUGHYRTPIIKLI-JKSUJKDBSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000360059854 319116798 /nfs/dbraw/zinc/11/67/98/319116798.db2.gz QRJNHAGLHMFEJA-IAGOWNOFSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000360059854 319116799 /nfs/dbraw/zinc/11/67/99/319116799.db2.gz QRJNHAGLHMFEJA-IAGOWNOFSA-N 2 2 325.497 1.188 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000399510075 319137656 /nfs/dbraw/zinc/13/76/56/319137656.db2.gz MQXVEOKZVSNILT-FMKPAKJESA-N 2 2 339.505 1.857 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264225029 443255581 /nfs/dbraw/zinc/25/55/81/443255581.db2.gz LAIDIXNSMLPAEX-FUHWJXTLSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264225029 443255583 /nfs/dbraw/zinc/25/55/83/443255583.db2.gz LAIDIXNSMLPAEX-FUHWJXTLSA-N 2 2 331.460 1.395 20 0 EDADLP COCCNC(=O)C1([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000414213835 319320948 /nfs/dbraw/zinc/32/09/48/319320948.db2.gz RQZNGPSOISKBSM-CQSZACIVSA-N 2 2 328.416 1.818 20 0 EDADLP CC(C)[N@H+](C)CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266824344 443258211 /nfs/dbraw/zinc/25/82/11/443258211.db2.gz KHTZHUPWCFGCQH-UHFFFAOYSA-N 2 2 333.476 1.979 20 0 EDADLP CC(C)[N@@H+](C)CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266824344 443258215 /nfs/dbraw/zinc/25/82/15/443258215.db2.gz KHTZHUPWCFGCQH-UHFFFAOYSA-N 2 2 333.476 1.979 20 0 EDADLP C[C@]1(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC[NH2+]C1 ZINC000415087714 319346913 /nfs/dbraw/zinc/34/69/13/319346913.db2.gz WMPQLCZHAKJBMX-IBGZPJMESA-N 3 2 333.476 1.487 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CC[N@@H+](C)C3)cn2c1 ZINC000264305209 443259170 /nfs/dbraw/zinc/25/91/70/443259170.db2.gz KBFYCOSLSCKAAE-CQSZACIVSA-N 2 2 332.473 1.944 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CC[N@H+](C)C3)cn2c1 ZINC000264305209 443259173 /nfs/dbraw/zinc/25/91/73/443259173.db2.gz KBFYCOSLSCKAAE-CQSZACIVSA-N 2 2 332.473 1.944 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(F)(F)F ZINC000415986266 319387282 /nfs/dbraw/zinc/38/72/82/319387282.db2.gz ABNOXUGCTXBREJ-CYBMUJFWSA-N 2 2 345.369 1.189 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266873939 443275322 /nfs/dbraw/zinc/27/53/22/443275322.db2.gz NSXRFBCRAXYRFW-KBPBESRZSA-N 2 2 336.461 1.873 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000625508742 450400898 /nfs/dbraw/zinc/40/08/98/450400898.db2.gz GTRCWDICMBAYPQ-MRXNPFEDSA-N 2 2 331.460 1.660 20 0 EDADLP C[C@@H](NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000625508742 450400901 /nfs/dbraw/zinc/40/09/01/450400901.db2.gz GTRCWDICMBAYPQ-MRXNPFEDSA-N 2 2 331.460 1.660 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3nccn4cnnc34)CC2)CC1 ZINC000269360320 443292667 /nfs/dbraw/zinc/29/26/67/443292667.db2.gz VIOPWQMKXSDLSY-UHFFFAOYSA-N 2 2 329.452 1.119 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000266969662 443306104 /nfs/dbraw/zinc/30/61/04/443306104.db2.gz ZPEBUPBCAHVNMQ-UHFFFAOYSA-N 2 2 331.464 1.549 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416834578 319465115 /nfs/dbraw/zinc/46/51/15/319465115.db2.gz YMEQFVCLVXEGCP-ZDUSSCGKSA-N 2 2 326.466 1.030 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[C@@H]1C[NH3+] ZINC000416930318 319477284 /nfs/dbraw/zinc/47/72/84/319477284.db2.gz KLFUKUJCIJZENA-ZBFHGGJFSA-N 2 2 347.463 1.045 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000269478542 443319638 /nfs/dbraw/zinc/31/96/38/443319638.db2.gz APGXPDQCWXMGEO-UHFFFAOYSA-N 2 2 333.461 1.506 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCNC(=O)[C@H]3C(C)C)c2cc1C ZINC000264549524 443322520 /nfs/dbraw/zinc/32/25/20/443322520.db2.gz KZGMRRKWACZYCH-CRAIPNDOSA-N 2 2 344.459 1.470 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCNC(=O)[C@H]3C(C)C)c2cc1C ZINC000264549524 443322525 /nfs/dbraw/zinc/32/25/25/443322525.db2.gz KZGMRRKWACZYCH-CRAIPNDOSA-N 2 2 344.459 1.470 20 0 EDADLP C[NH+](C)[C@@]1(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)CCSC1 ZINC000267060992 443329060 /nfs/dbraw/zinc/32/90/60/443329060.db2.gz GXVVDTNJACLRQT-XJKSGUPXSA-N 2 2 337.493 1.287 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000266945316 443298027 /nfs/dbraw/zinc/29/80/27/443298027.db2.gz RNFJDRLJGGJFRB-HNNXBMFYSA-N 2 2 348.447 1.391 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278638624 443387175 /nfs/dbraw/zinc/38/71/75/443387175.db2.gz OSGFGCVTMDEKRA-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278638624 443387178 /nfs/dbraw/zinc/38/71/78/443387178.db2.gz OSGFGCVTMDEKRA-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278638624 443387184 /nfs/dbraw/zinc/38/71/84/443387184.db2.gz OSGFGCVTMDEKRA-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278638624 443387189 /nfs/dbraw/zinc/38/71/89/443387189.db2.gz OSGFGCVTMDEKRA-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)CC1 ZINC000278564296 443363755 /nfs/dbraw/zinc/36/37/55/443363755.db2.gz IQVBJVHBJRNJAH-RDJZCZTQSA-N 2 2 347.459 1.917 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000272700929 443414110 /nfs/dbraw/zinc/41/41/10/443414110.db2.gz YPXPMGITUBYIQF-QRVBRYPASA-N 2 2 343.471 1.440 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000272700929 443414115 /nfs/dbraw/zinc/41/41/15/443414115.db2.gz YPXPMGITUBYIQF-QRVBRYPASA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000272700929 443414119 /nfs/dbraw/zinc/41/41/19/443414119.db2.gz YPXPMGITUBYIQF-QRVBRYPASA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000272700929 443414122 /nfs/dbraw/zinc/41/41/22/443414122.db2.gz YPXPMGITUBYIQF-QRVBRYPASA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000267268379 443399894 /nfs/dbraw/zinc/39/98/94/443399894.db2.gz PLOSDHHJWFESGT-UHFFFAOYSA-N 2 2 342.443 1.696 20 0 EDADLP CCCNC(=O)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278968574 443476137 /nfs/dbraw/zinc/47/61/37/443476137.db2.gz XPEVJXIPIWLJTG-UHFFFAOYSA-N 2 2 347.463 1.635 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272887515 443479752 /nfs/dbraw/zinc/47/97/52/443479752.db2.gz ZQPCZJCUGUOEMP-SFHVURJKSA-N 2 2 342.443 1.546 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267438569 443457440 /nfs/dbraw/zinc/45/74/40/443457440.db2.gz ONTFZORGBKCLBN-NXEZZACHSA-N 2 2 347.341 1.366 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267438569 443457444 /nfs/dbraw/zinc/45/74/44/443457444.db2.gz ONTFZORGBKCLBN-NXEZZACHSA-N 2 2 347.341 1.366 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCOCC1 ZINC000423410249 319773122 /nfs/dbraw/zinc/77/31/22/319773122.db2.gz RPHNITLRAAJAGP-AWEZNQCLSA-N 2 2 327.375 1.192 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)CCc3[nH]cc[nH+]3)c2)CC1 ZINC000279222024 443540637 /nfs/dbraw/zinc/54/06/37/443540637.db2.gz PDPHERJBOKWHRZ-UHFFFAOYSA-N 2 2 327.432 1.728 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425329627 319831881 /nfs/dbraw/zinc/83/18/81/319831881.db2.gz ABFJHNMLXJHTCJ-UHFFFAOYSA-N 3 2 337.512 1.809 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2sccc2C[NH+](C)C)C[C@H](C)O1 ZINC000279261581 443543650 /nfs/dbraw/zinc/54/36/50/443543650.db2.gz IHVSMCFZKGWBEY-OKILXGFUSA-N 2 2 339.505 1.991 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2sccc2C[NH+](C)C)C[C@H](C)O1 ZINC000279261581 443543652 /nfs/dbraw/zinc/54/36/52/443543652.db2.gz IHVSMCFZKGWBEY-OKILXGFUSA-N 2 2 339.505 1.991 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[N@H+](C)C1CC1)c1c(F)cccc1F ZINC000265295016 443598668 /nfs/dbraw/zinc/59/86/68/443598668.db2.gz YZOWAKFDEGOHDF-OAHLLOKOSA-N 2 2 340.418 1.961 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1c(F)cccc1F ZINC000265295016 443598673 /nfs/dbraw/zinc/59/86/73/443598673.db2.gz YZOWAKFDEGOHDF-OAHLLOKOSA-N 2 2 340.418 1.961 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000272381032 443608458 /nfs/dbraw/zinc/60/84/58/443608458.db2.gz VLZTYTRYXFHYGA-AWEZNQCLSA-N 2 2 329.404 1.060 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000272381032 443608460 /nfs/dbraw/zinc/60/84/60/443608460.db2.gz VLZTYTRYXFHYGA-AWEZNQCLSA-N 2 2 329.404 1.060 20 0 EDADLP CCOC(=O)CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279699958 443620986 /nfs/dbraw/zinc/62/09/86/443620986.db2.gz JHDVXZPWCAUHIQ-KBPBESRZSA-N 2 2 326.416 1.218 20 0 EDADLP CCOC(=O)CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279699958 443620988 /nfs/dbraw/zinc/62/09/88/443620988.db2.gz JHDVXZPWCAUHIQ-KBPBESRZSA-N 2 2 326.416 1.218 20 0 EDADLP C[C@@H]1[NH2+]CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H]1C ZINC000436068773 320018775 /nfs/dbraw/zinc/01/87/75/320018775.db2.gz WVWRKMIKAXYSCA-GJZGRUSLSA-N 2 2 336.505 1.075 20 0 EDADLP COc1cc2c(c(C[NH2+]C[C@H]3CCCC[N@@H+]3CCO)c1)O[C@@H](C)C2 ZINC000449392655 320187492 /nfs/dbraw/zinc/18/74/92/320187492.db2.gz KPASMGUQDGNIGK-WMLDXEAASA-N 2 2 334.460 1.955 20 0 EDADLP COc1cc2c(c(C[NH2+]C[C@H]3CCCC[N@H+]3CCO)c1)O[C@@H](C)C2 ZINC000449392655 320187494 /nfs/dbraw/zinc/18/74/94/320187494.db2.gz KPASMGUQDGNIGK-WMLDXEAASA-N 2 2 334.460 1.955 20 0 EDADLP CC[C@@H](C)[C@@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)OC ZINC000449400962 320189065 /nfs/dbraw/zinc/18/90/65/320189065.db2.gz FBOYQKTTZXZTRZ-SJLPKXTDSA-N 2 2 327.513 1.434 20 0 EDADLP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)OC ZINC000449400962 320189067 /nfs/dbraw/zinc/18/90/67/320189067.db2.gz FBOYQKTTZXZTRZ-SJLPKXTDSA-N 2 2 327.513 1.434 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1cccc(-n2ccnn2)c1 ZINC000453298731 320262712 /nfs/dbraw/zinc/26/27/12/320262712.db2.gz WUIDXKQOPSZOSZ-NVXWUHKLSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1cccc(-n2ccnn2)c1 ZINC000453298731 320262714 /nfs/dbraw/zinc/26/27/14/320262714.db2.gz WUIDXKQOPSZOSZ-NVXWUHKLSA-N 2 2 329.448 1.765 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCC2CCOCC2)CC1 ZINC000458599765 320337967 /nfs/dbraw/zinc/33/79/67/320337967.db2.gz QWUWJZWRCPYSPT-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP COCc1cc(CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)no1 ZINC000459365805 320347431 /nfs/dbraw/zinc/34/74/31/320347431.db2.gz XNEXVRYSDHPVEJ-UHFFFAOYSA-N 2 2 336.480 1.811 20 0 EDADLP Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488375728 320358079 /nfs/dbraw/zinc/35/80/79/320358079.db2.gz CIHVKDADRXTRMU-CQSZACIVSA-N 2 2 326.448 1.957 20 0 EDADLP Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488375728 320358080 /nfs/dbraw/zinc/35/80/80/320358080.db2.gz CIHVKDADRXTRMU-CQSZACIVSA-N 2 2 326.448 1.957 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000489348241 320359378 /nfs/dbraw/zinc/35/93/78/320359378.db2.gz LYHJUMIRWFONIE-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000489348241 320359379 /nfs/dbraw/zinc/35/93/79/320359379.db2.gz LYHJUMIRWFONIE-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000489348241 320359380 /nfs/dbraw/zinc/35/93/80/320359380.db2.gz LYHJUMIRWFONIE-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000489348241 320359381 /nfs/dbraw/zinc/35/93/81/320359381.db2.gz LYHJUMIRWFONIE-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000492938846 320391177 /nfs/dbraw/zinc/39/11/77/320391177.db2.gz BHYCYGZWNLQHSW-FPLPWBNLSA-N 2 2 347.463 1.025 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)NC[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000514589188 320429179 /nfs/dbraw/zinc/42/91/79/320429179.db2.gz KDZUXSOZFKENKR-CYBMUJFWSA-N 2 2 329.404 1.920 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)cn2c1 ZINC000290954507 443719428 /nfs/dbraw/zinc/71/94/28/443719428.db2.gz GZBAVKNMLQZYLM-QGZVFWFLSA-N 2 2 342.443 1.902 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)cn2c1 ZINC000290954507 443719433 /nfs/dbraw/zinc/71/94/33/443719433.db2.gz GZBAVKNMLQZYLM-QGZVFWFLSA-N 2 2 342.443 1.902 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1)[NH+]1CCSCC1 ZINC000276483322 443721015 /nfs/dbraw/zinc/72/10/15/443721015.db2.gz ZSJAIOBTWZAPHE-IPYPFGDCSA-N 2 2 338.477 1.194 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000526037473 320497500 /nfs/dbraw/zinc/49/75/00/320497500.db2.gz LYNWSNAVTMOWII-AWEZNQCLSA-N 2 2 341.415 1.198 20 0 EDADLP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000276541795 443741202 /nfs/dbraw/zinc/74/12/02/443741202.db2.gz RNVJKTPMVHGPIH-HOTGVXAUSA-N 2 2 334.443 1.551 20 0 EDADLP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000276541795 443741203 /nfs/dbraw/zinc/74/12/03/443741203.db2.gz RNVJKTPMVHGPIH-HOTGVXAUSA-N 2 2 334.443 1.551 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000276541795 443741206 /nfs/dbraw/zinc/74/12/06/443741206.db2.gz RNVJKTPMVHGPIH-HOTGVXAUSA-N 3 2 334.443 1.551 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000276541795 443741208 /nfs/dbraw/zinc/74/12/08/443741208.db2.gz RNVJKTPMVHGPIH-HOTGVXAUSA-N 3 2 334.443 1.551 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000292395557 443793415 /nfs/dbraw/zinc/79/34/15/443793415.db2.gz REGUSSCOWNGQPP-UHFFFAOYSA-N 2 2 333.411 1.833 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccncn3)CC2)CC1 ZINC000298473393 443777297 /nfs/dbraw/zinc/77/72/97/443777297.db2.gz SLLNYWPSQNEMEE-OAHLLOKOSA-N 2 2 331.464 1.209 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000298626559 443821447 /nfs/dbraw/zinc/82/14/47/443821447.db2.gz JKTUHXWYJIAEJZ-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000298626559 443821450 /nfs/dbraw/zinc/82/14/50/443821450.db2.gz JKTUHXWYJIAEJZ-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920245 443879233 /nfs/dbraw/zinc/87/92/33/443879233.db2.gz IESBGNHPQYNWPJ-IBGZPJMESA-N 2 2 345.443 1.449 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920245 443879236 /nfs/dbraw/zinc/87/92/36/443879236.db2.gz IESBGNHPQYNWPJ-IBGZPJMESA-N 2 2 345.443 1.449 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920245 443879241 /nfs/dbraw/zinc/87/92/41/443879241.db2.gz IESBGNHPQYNWPJ-IBGZPJMESA-N 2 2 345.443 1.449 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920245 443879246 /nfs/dbraw/zinc/87/92/46/443879246.db2.gz IESBGNHPQYNWPJ-IBGZPJMESA-N 2 2 345.443 1.449 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000298734760 443853275 /nfs/dbraw/zinc/85/32/75/443853275.db2.gz MJVIWNPVXQLGDO-CVEARBPZSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000298734760 443853277 /nfs/dbraw/zinc/85/32/77/443853277.db2.gz MJVIWNPVXQLGDO-CVEARBPZSA-N 2 2 329.448 1.540 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000298763077 443860711 /nfs/dbraw/zinc/86/07/11/443860711.db2.gz QJDPOXOLTXZKPS-HUUCEWRRSA-N 2 2 347.463 1.264 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000298763077 443860716 /nfs/dbraw/zinc/86/07/16/443860716.db2.gz QJDPOXOLTXZKPS-HUUCEWRRSA-N 2 2 347.463 1.264 20 0 EDADLP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2nnc[nH]2)c2cccnc2)C[C@@H](C)O1 ZINC000285131047 443866801 /nfs/dbraw/zinc/86/68/01/443866801.db2.gz LKRVOIXNKDBGPX-INMHGKMJSA-N 2 2 344.463 1.768 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NCCOc3ccccc3)C2)C1 ZINC000292905278 443875055 /nfs/dbraw/zinc/87/50/55/443875055.db2.gz GVGLNAZYADOHBQ-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NCCOc3ccccc3)C2)C1 ZINC000292905278 443875062 /nfs/dbraw/zinc/87/50/62/443875062.db2.gz GVGLNAZYADOHBQ-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NCCOc3ccccc3)C2)C1 ZINC000292905278 443875067 /nfs/dbraw/zinc/87/50/67/443875067.db2.gz GVGLNAZYADOHBQ-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NCCOc3ccccc3)C2)C1 ZINC000292905278 443875069 /nfs/dbraw/zinc/87/50/69/443875069.db2.gz GVGLNAZYADOHBQ-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1noc2ccccc21 ZINC000299015427 443928869 /nfs/dbraw/zinc/92/88/69/443928869.db2.gz AYVMPYXMKGPMRD-UHFFFAOYSA-N 2 2 344.459 1.855 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1noc2ccccc21 ZINC000299015427 443928873 /nfs/dbraw/zinc/92/88/73/443928873.db2.gz AYVMPYXMKGPMRD-UHFFFAOYSA-N 2 2 344.459 1.855 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](C)[S@](=O)CC3)c2cc1C ZINC000277198087 443934411 /nfs/dbraw/zinc/93/44/11/443934411.db2.gz MJHQQPRNUAIKHM-VMPBMTGNSA-N 2 2 349.500 1.857 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](C)[S@](=O)CC3)c2cc1C ZINC000277198087 443934413 /nfs/dbraw/zinc/93/44/13/443934413.db2.gz MJHQQPRNUAIKHM-VMPBMTGNSA-N 2 2 349.500 1.857 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)cn21 ZINC000288733430 443967357 /nfs/dbraw/zinc/96/73/57/443967357.db2.gz BBBUIBZOXJMAMI-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)cn21 ZINC000288733430 443967362 /nfs/dbraw/zinc/96/73/62/443967362.db2.gz BBBUIBZOXJMAMI-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[S@](=O)C[C@H](C)C3)c2cc1C ZINC000277402190 443980228 /nfs/dbraw/zinc/98/02/28/443980228.db2.gz JBXHKQWWNOMRMB-LBCXTIRYSA-N 2 2 349.500 1.714 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[S@](=O)C[C@H](C)C3)c2cc1C ZINC000277402190 443980229 /nfs/dbraw/zinc/98/02/29/443980229.db2.gz JBXHKQWWNOMRMB-LBCXTIRYSA-N 2 2 349.500 1.714 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285466729 443994910 /nfs/dbraw/zinc/99/49/10/443994910.db2.gz ANJWQKULABUZRA-CVEARBPZSA-N 2 2 337.464 1.717 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285466729 443994916 /nfs/dbraw/zinc/99/49/16/443994916.db2.gz ANJWQKULABUZRA-CVEARBPZSA-N 2 2 337.464 1.717 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285466729 443994921 /nfs/dbraw/zinc/99/49/21/443994921.db2.gz ANJWQKULABUZRA-CVEARBPZSA-N 2 2 337.464 1.717 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285466729 443994926 /nfs/dbraw/zinc/99/49/26/443994926.db2.gz ANJWQKULABUZRA-CVEARBPZSA-N 2 2 337.464 1.717 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000288938609 444018163 /nfs/dbraw/zinc/01/81/63/444018163.db2.gz FOOLYHDMODYIMN-BPLDGKMQSA-N 2 2 345.447 1.062 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000288938609 444018167 /nfs/dbraw/zinc/01/81/67/444018167.db2.gz FOOLYHDMODYIMN-BPLDGKMQSA-N 2 2 345.447 1.062 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000299542143 444074300 /nfs/dbraw/zinc/07/43/00/444074300.db2.gz VWSKNRQYLOWRLD-ACJLOTCBSA-N 2 2 348.447 1.655 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000285715242 444082302 /nfs/dbraw/zinc/08/23/02/444082302.db2.gz DPNSESZOYJTCIM-MJGOQNOKSA-N 2 2 345.487 1.340 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000285715242 444082308 /nfs/dbraw/zinc/08/23/08/444082308.db2.gz DPNSESZOYJTCIM-MJGOQNOKSA-N 2 2 345.487 1.340 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000285715233 444082339 /nfs/dbraw/zinc/08/23/39/444082339.db2.gz DPNSESZOYJTCIM-HKUYNNGSSA-N 2 2 345.487 1.340 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000285715233 444082344 /nfs/dbraw/zinc/08/23/44/444082344.db2.gz DPNSESZOYJTCIM-HKUYNNGSSA-N 2 2 345.487 1.340 20 0 EDADLP CN1CCN(c2cc(NCC3CC[NH+](C4CC4)CC3)nc[nH+]2)CC1=O ZINC000277916004 444064157 /nfs/dbraw/zinc/06/41/57/444064157.db2.gz PMGOSXMVCIVTSV-UHFFFAOYSA-N 2 2 344.463 1.041 20 0 EDADLP CN1CCN(c2cc(NCC3CC[NH+](C4CC4)CC3)[nH+]cn2)CC1=O ZINC000277916004 444064160 /nfs/dbraw/zinc/06/41/60/444064160.db2.gz PMGOSXMVCIVTSV-UHFFFAOYSA-N 2 2 344.463 1.041 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000557241548 321000925 /nfs/dbraw/zinc/00/09/25/321000925.db2.gz MTBAFTZCNJERPO-OAHLLOKOSA-N 2 2 348.447 1.022 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)[nH+]c12 ZINC000559836833 321016561 /nfs/dbraw/zinc/01/65/61/321016561.db2.gz HTMKVIOZXAZTJA-HNNXBMFYSA-N 2 2 344.459 1.489 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)[nH+]c12 ZINC000559836833 321016563 /nfs/dbraw/zinc/01/65/63/321016563.db2.gz HTMKVIOZXAZTJA-HNNXBMFYSA-N 2 2 344.459 1.489 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)[nH+]1 ZINC000560332571 321020655 /nfs/dbraw/zinc/02/06/55/321020655.db2.gz SVPVUCGYFOSJJU-BBRMVZONSA-N 2 2 328.464 1.729 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560986964 321030545 /nfs/dbraw/zinc/03/05/45/321030545.db2.gz QCJBESINZUQIBP-UHFFFAOYSA-N 2 2 329.404 1.265 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000561076727 321032539 /nfs/dbraw/zinc/03/25/39/321032539.db2.gz QJNNFRSSLZRNGT-UHFFFAOYSA-N 2 2 345.487 1.942 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000561076727 321032541 /nfs/dbraw/zinc/03/25/41/321032541.db2.gz QJNNFRSSLZRNGT-UHFFFAOYSA-N 2 2 345.487 1.942 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[NH+]2CCOCC2)c1 ZINC000561144150 321034899 /nfs/dbraw/zinc/03/48/99/321034899.db2.gz DRTMSOLMGFMIKL-HKUYNNGSSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[NH+]2CCOCC2)c1 ZINC000561144150 321034900 /nfs/dbraw/zinc/03/49/00/321034900.db2.gz DRTMSOLMGFMIKL-HKUYNNGSSA-N 2 2 345.487 1.826 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000561177692 321035103 /nfs/dbraw/zinc/03/51/03/321035103.db2.gz OLSRNEMFXCEVQT-CABCVRRESA-N 2 2 343.406 1.762 20 0 EDADLP COC(=O)CN1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000289250931 444087733 /nfs/dbraw/zinc/08/77/33/444087733.db2.gz BBSNWDOPFBXCCA-UHFFFAOYSA-N 2 2 342.443 1.658 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000562819574 321079251 /nfs/dbraw/zinc/07/92/51/321079251.db2.gz PTSNFBSIVDFNHX-KFWWJZLASA-N 2 2 334.468 1.315 20 0 EDADLP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299579869 444085183 /nfs/dbraw/zinc/08/51/83/444085183.db2.gz UYPHNBXDIFTKDW-GOSISDBHSA-N 2 2 330.476 1.144 20 0 EDADLP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299579869 444085186 /nfs/dbraw/zinc/08/51/86/444085186.db2.gz UYPHNBXDIFTKDW-GOSISDBHSA-N 2 2 330.476 1.144 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CCC2 ZINC000563248444 321104058 /nfs/dbraw/zinc/10/40/58/321104058.db2.gz APVIBQSNHXUSDP-LSDHHAIUSA-N 2 2 327.432 1.953 20 0 EDADLP Cn1nccc1N1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000564772390 321146899 /nfs/dbraw/zinc/14/68/99/321146899.db2.gz SSISBQBTVSNRIJ-KRWDZBQOSA-N 2 2 345.491 1.912 20 0 EDADLP CCN(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000564861696 321152638 /nfs/dbraw/zinc/15/26/38/321152638.db2.gz GLYRQGBPNCXTQO-CABCVRRESA-N 2 2 332.448 1.470 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299609952 444094380 /nfs/dbraw/zinc/09/43/80/444094380.db2.gz IWGGYQMSDIGAIO-HIFRSBDPSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299609952 444094383 /nfs/dbraw/zinc/09/43/83/444094383.db2.gz IWGGYQMSDIGAIO-HIFRSBDPSA-N 2 2 341.415 1.216 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)CCCC[NH3+])CC2)c1 ZINC000565597689 321192803 /nfs/dbraw/zinc/19/28/03/321192803.db2.gz XBKNYGQKTDMENO-UHFFFAOYSA-N 2 2 335.448 1.477 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000565958911 321208122 /nfs/dbraw/zinc/20/81/22/321208122.db2.gz GRKHXEJETZDPLR-ZFWWWQNUSA-N 2 2 332.448 1.115 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000565958911 321208123 /nfs/dbraw/zinc/20/81/23/321208123.db2.gz GRKHXEJETZDPLR-ZFWWWQNUSA-N 2 2 332.448 1.115 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000566416981 321229031 /nfs/dbraw/zinc/22/90/31/321229031.db2.gz LYCJTICRZPGREE-LPHOPBHVSA-N 2 2 336.476 1.944 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000566416981 321229033 /nfs/dbraw/zinc/22/90/33/321229033.db2.gz LYCJTICRZPGREE-LPHOPBHVSA-N 2 2 336.476 1.944 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000566416981 321229035 /nfs/dbraw/zinc/22/90/35/321229035.db2.gz LYCJTICRZPGREE-LPHOPBHVSA-N 2 2 336.476 1.944 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000566416981 321229038 /nfs/dbraw/zinc/22/90/38/321229038.db2.gz LYCJTICRZPGREE-LPHOPBHVSA-N 2 2 336.476 1.944 20 0 EDADLP COC(=O)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000566836061 321235008 /nfs/dbraw/zinc/23/50/08/321235008.db2.gz HHHBTXPMWQXMBL-YJBOKZPZSA-N 2 2 346.475 1.326 20 0 EDADLP COC(=O)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000566836061 321235010 /nfs/dbraw/zinc/23/50/10/321235010.db2.gz HHHBTXPMWQXMBL-YJBOKZPZSA-N 2 2 346.475 1.326 20 0 EDADLP COCC1(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000567582324 321246564 /nfs/dbraw/zinc/24/65/64/321246564.db2.gz AYYRQBWQGBTLIT-ULQDDVLXSA-N 2 2 328.497 1.643 20 0 EDADLP Cc1cccc(O[C@H](C)C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000567689840 321252966 /nfs/dbraw/zinc/25/29/66/321252966.db2.gz RRANJKSKSUBFOE-TVFCKZIOSA-N 2 2 336.476 1.822 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000567890009 321265985 /nfs/dbraw/zinc/26/59/85/321265985.db2.gz VHUCKWCQGNMAND-JFGNBEQYSA-N 2 2 329.242 1.657 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000567982946 321271217 /nfs/dbraw/zinc/27/12/17/321271217.db2.gz CDIBDLNFAJCEBR-GFCCVEGCSA-N 2 2 339.390 1.017 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000568184236 321279023 /nfs/dbraw/zinc/27/90/23/321279023.db2.gz PKRGPWLKGIYGOF-UHFFFAOYSA-N 2 2 342.447 1.370 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC1([NH3+])CCCCCC1 ZINC000568605100 321298569 /nfs/dbraw/zinc/29/85/69/321298569.db2.gz RAWANGCMSRZNEJ-UHFFFAOYSA-N 2 2 335.496 1.706 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000571425314 321386823 /nfs/dbraw/zinc/38/68/23/321386823.db2.gz NSCWQGWFLHOLLH-CVEARBPZSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000571425314 321386824 /nfs/dbraw/zinc/38/68/24/321386824.db2.gz NSCWQGWFLHOLLH-CVEARBPZSA-N 2 2 349.479 1.016 20 0 EDADLP CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000571472171 321387879 /nfs/dbraw/zinc/38/78/79/321387879.db2.gz XXIPJPVDWXQISH-DLBZAZTESA-N 2 2 331.460 1.080 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)C1CC1 ZINC000289445927 444146414 /nfs/dbraw/zinc/14/64/14/444146414.db2.gz ZPENQWWEQBALLL-SFHVURJKSA-N 2 2 346.475 1.728 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1)C1CC1 ZINC000289445927 444146416 /nfs/dbraw/zinc/14/64/16/444146416.db2.gz ZPENQWWEQBALLL-SFHVURJKSA-N 2 2 346.475 1.728 20 0 EDADLP C[C@H](C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1)[NH+]1CC(C)C1 ZINC000573384275 321452456 /nfs/dbraw/zinc/45/24/56/321452456.db2.gz VBCJPGVGENSTEZ-CYBMUJFWSA-N 2 2 335.452 1.357 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289373092 444121833 /nfs/dbraw/zinc/12/18/33/444121833.db2.gz KKYVPOVQCJIACY-XJKSGUPXSA-N 2 2 340.489 1.586 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289373092 444121836 /nfs/dbraw/zinc/12/18/36/444121836.db2.gz KKYVPOVQCJIACY-XJKSGUPXSA-N 2 2 340.489 1.586 20 0 EDADLP CC[C@@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@@H+]1C[C@H](C)O ZINC000301803824 444191629 /nfs/dbraw/zinc/19/16/29/444191629.db2.gz DGZZLNNRBVSJLR-DZGCQCFKSA-N 2 2 330.436 1.252 20 0 EDADLP CC[C@@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@H+]1C[C@H](C)O ZINC000301803824 444191630 /nfs/dbraw/zinc/19/16/30/444191630.db2.gz DGZZLNNRBVSJLR-DZGCQCFKSA-N 2 2 330.436 1.252 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000289713071 444194112 /nfs/dbraw/zinc/19/41/12/444194112.db2.gz GJMKCQKLNGTZGN-OAHLLOKOSA-N 2 2 325.416 1.498 20 0 EDADLP Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000301985777 444198999 /nfs/dbraw/zinc/19/89/99/444198999.db2.gz ZBQDVDKXCQECSQ-OAHLLOKOSA-N 2 2 331.464 1.827 20 0 EDADLP Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000301985777 444199001 /nfs/dbraw/zinc/19/90/01/444199001.db2.gz ZBQDVDKXCQECSQ-OAHLLOKOSA-N 2 2 331.464 1.827 20 0 EDADLP NC(=O)c1c[nH+]ccc1NC[C@@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000302012821 444200301 /nfs/dbraw/zinc/20/03/01/444200301.db2.gz DCSSEFYATUBRNS-KRWDZBQOSA-N 2 2 344.390 1.805 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC([NH+]3CCCC3)CC2)nc[nH+]1 ZINC000302076793 444203150 /nfs/dbraw/zinc/20/31/50/444203150.db2.gz AEVQQPXSMYPPPD-KRWDZBQOSA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC([NH+]3CCCC3)CC2)[nH+]cn1 ZINC000302076793 444203152 /nfs/dbraw/zinc/20/31/52/444203152.db2.gz AEVQQPXSMYPPPD-KRWDZBQOSA-N 2 2 345.491 1.892 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000576475564 321570181 /nfs/dbraw/zinc/57/01/81/321570181.db2.gz HIUIZDVNFOUZAG-MRXNPFEDSA-N 2 2 330.432 1.588 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCC(O)CC1 ZINC000296107812 444205034 /nfs/dbraw/zinc/20/50/34/444205034.db2.gz ZHDZIHUWLXEWGR-YLJYHZDGSA-N 2 2 331.504 1.943 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCC(O)CC1 ZINC000296107812 444205037 /nfs/dbraw/zinc/20/50/37/444205037.db2.gz ZHDZIHUWLXEWGR-YLJYHZDGSA-N 2 2 331.504 1.943 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000290152763 444248656 /nfs/dbraw/zinc/24/86/56/444248656.db2.gz LELUGUGHBPUBTG-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000290152763 444248659 /nfs/dbraw/zinc/24/86/59/444248659.db2.gz LELUGUGHBPUBTG-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(F)F ZINC000576582769 321579045 /nfs/dbraw/zinc/57/90/45/321579045.db2.gz DSNPBKHBXMAUJE-CQSZACIVSA-N 2 2 327.375 1.231 20 0 EDADLP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000576587028 321579622 /nfs/dbraw/zinc/57/96/22/321579622.db2.gz DOJNKFCAKUIZDP-LPHOPBHVSA-N 2 2 342.443 1.622 20 0 EDADLP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000576957748 321611394 /nfs/dbraw/zinc/61/13/94/321611394.db2.gz RQQUQLFJERFCKV-CQSZACIVSA-N 2 2 335.448 1.914 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)nc1 ZINC000289971835 444225477 /nfs/dbraw/zinc/22/54/77/444225477.db2.gz XLBRKKDPFKPWBH-AAEUAGOBSA-N 2 2 328.254 1.951 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000290084221 444240511 /nfs/dbraw/zinc/24/05/11/444240511.db2.gz WIGCBSCGLOOUAK-SQNIBIBYSA-N 2 2 331.460 1.564 20 0 EDADLP CSCC[C@@H](CO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000577395717 321649403 /nfs/dbraw/zinc/64/94/03/321649403.db2.gz MRAREBTYPUXHGN-GJZGRUSLSA-N 2 2 337.489 1.718 20 0 EDADLP Cc1cccnc1CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000297542759 444298766 /nfs/dbraw/zinc/29/87/66/444298766.db2.gz OVCLJKQJVUBEJU-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP Cc1cccnc1CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000297542759 444298769 /nfs/dbraw/zinc/29/87/69/444298769.db2.gz OVCLJKQJVUBEJU-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH+]2CCC([N@H+](C)CCO)CC2)CCO1 ZINC000297555497 444300504 /nfs/dbraw/zinc/30/05/04/444300504.db2.gz BXADOJQYQGBVFB-QGZVFWFLSA-N 2 2 347.503 1.800 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH+]2CCC([N@@H+](C)CCO)CC2)CCO1 ZINC000297555497 444300506 /nfs/dbraw/zinc/30/05/06/444300506.db2.gz BXADOJQYQGBVFB-QGZVFWFLSA-N 2 2 347.503 1.800 20 0 EDADLP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000322173764 444339204 /nfs/dbraw/zinc/33/92/04/444339204.db2.gz DGRSKGWKVKBNKK-AWEZNQCLSA-N 2 2 340.489 1.981 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000340516705 444421577 /nfs/dbraw/zinc/42/15/77/444421577.db2.gz JDPDXYBBLOWJPK-YYIAUSFCSA-N 2 2 335.492 1.476 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000340516705 444421580 /nfs/dbraw/zinc/42/15/80/444421580.db2.gz JDPDXYBBLOWJPK-YYIAUSFCSA-N 2 2 335.492 1.476 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[NH+]1CCCC1 ZINC000340473270 444392754 /nfs/dbraw/zinc/39/27/54/444392754.db2.gz NYIDMSJTNOCVFD-GFCCVEGCSA-N 2 2 328.254 1.685 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]ccc2OC)CC[N@@H+]1C[C@@H](C)O ZINC000298031115 444392789 /nfs/dbraw/zinc/39/27/89/444392789.db2.gz QSGYAMHUBUNMKE-HIFRSBDPSA-N 2 2 336.436 1.077 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]ccc2OC)CC[N@H+]1C[C@@H](C)O ZINC000298031115 444392790 /nfs/dbraw/zinc/39/27/90/444392790.db2.gz QSGYAMHUBUNMKE-HIFRSBDPSA-N 2 2 336.436 1.077 20 0 EDADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nnc4n3CCCC4)CC2)C[C@@H](C)O1 ZINC000340643752 444469312 /nfs/dbraw/zinc/46/93/12/444469312.db2.gz OKDBWXGMFAOAQB-HZPDHXFCSA-N 2 2 347.507 1.936 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000579720057 321965951 /nfs/dbraw/zinc/96/59/51/321965951.db2.gz YUSZZTYMKXXLCN-SFHVURJKSA-N 2 2 348.487 1.561 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@@H]2C1 ZINC000580770439 322093144 /nfs/dbraw/zinc/09/31/44/322093144.db2.gz GXBQGWHTWOADKB-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873132 322105817 /nfs/dbraw/zinc/10/58/17/322105817.db2.gz QDJGWJCXJWLPKK-YSTOQKLRSA-N 3 2 329.488 1.838 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873132 322105818 /nfs/dbraw/zinc/10/58/18/322105818.db2.gz QDJGWJCXJWLPKK-YSTOQKLRSA-N 3 2 329.488 1.838 20 0 EDADLP C[NH+]1CC[C@@](O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000580873132 322105819 /nfs/dbraw/zinc/10/58/19/322105819.db2.gz QDJGWJCXJWLPKK-YSTOQKLRSA-N 3 2 329.488 1.838 20 0 EDADLP C[NH+]1CC[C@@](O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000580873132 322105821 /nfs/dbraw/zinc/10/58/21/322105821.db2.gz QDJGWJCXJWLPKK-YSTOQKLRSA-N 3 2 329.488 1.838 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-n2cncn2)cc1Cl ZINC000581005967 322123310 /nfs/dbraw/zinc/12/33/10/322123310.db2.gz KKNOMLDMYNBSAX-TZMCWYRMSA-N 2 2 335.839 1.950 20 0 EDADLP C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581979458 322239612 /nfs/dbraw/zinc/23/96/12/322239612.db2.gz BRVNRFGNQYPELD-QILLFSRXSA-N 2 2 344.459 1.276 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342134616 444526563 /nfs/dbraw/zinc/52/65/63/444526563.db2.gz KRCHNVCFRQUKGA-CQSZACIVSA-N 2 2 332.448 1.218 20 0 EDADLP COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000343710182 444536718 /nfs/dbraw/zinc/53/67/18/444536718.db2.gz DGQQZQNGHZJKTK-KDOFPFPSSA-N 2 2 331.416 1.733 20 0 EDADLP COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000343710182 444536722 /nfs/dbraw/zinc/53/67/22/444536722.db2.gz DGQQZQNGHZJKTK-KDOFPFPSSA-N 2 2 331.416 1.733 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CCCC1 ZINC000343713418 444539883 /nfs/dbraw/zinc/53/98/83/444539883.db2.gz RADYVCFOAOCIHH-UHFFFAOYSA-N 2 2 347.463 1.106 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CCCC1 ZINC000343713418 444539887 /nfs/dbraw/zinc/53/98/87/444539887.db2.gz RADYVCFOAOCIHH-UHFFFAOYSA-N 2 2 347.463 1.106 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CCCC1 ZINC000343713418 444539890 /nfs/dbraw/zinc/53/98/90/444539890.db2.gz RADYVCFOAOCIHH-UHFFFAOYSA-N 2 2 347.463 1.106 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CCCC1 ZINC000343713418 444539891 /nfs/dbraw/zinc/53/98/91/444539891.db2.gz RADYVCFOAOCIHH-UHFFFAOYSA-N 2 2 347.463 1.106 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000343717955 444542542 /nfs/dbraw/zinc/54/25/42/444542542.db2.gz ACWWXPXUDYDTCG-LJQANCHMSA-N 2 2 345.491 1.234 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000332918946 444595898 /nfs/dbraw/zinc/59/58/98/444595898.db2.gz AIFNIZIEAXARDC-DOTOQJQBSA-N 2 2 332.448 1.976 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000332918946 444595901 /nfs/dbraw/zinc/59/59/01/444595901.db2.gz AIFNIZIEAXARDC-DOTOQJQBSA-N 2 2 332.448 1.976 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000343802053 444600518 /nfs/dbraw/zinc/60/05/18/444600518.db2.gz JFUGLCCZSHGUNN-GOSISDBHSA-N 2 2 344.503 1.275 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](C)C[C@H]3C)CC2)c1 ZINC000343802053 444600522 /nfs/dbraw/zinc/60/05/22/444600522.db2.gz JFUGLCCZSHGUNN-GOSISDBHSA-N 2 2 344.503 1.275 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000338292234 444614530 /nfs/dbraw/zinc/61/45/30/444614530.db2.gz RNAIJWKRTFFXDE-CABCVRRESA-N 2 2 348.472 1.804 20 0 EDADLP Cc1ccc(CCC[NH+]2CCC([C@@H]3OCC[C@H]3C(N)=O)CC2)c[nH+]1 ZINC000343842334 444621961 /nfs/dbraw/zinc/62/19/61/444621961.db2.gz APQAMNJAFYHQIV-MSOLQXFVSA-N 2 2 331.460 1.925 20 0 EDADLP CC1CC[NH+](CCNC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000332993435 444624471 /nfs/dbraw/zinc/62/44/71/444624471.db2.gz BHWZKAHEQJQSDQ-RDJZCZTQSA-N 2 2 349.479 1.671 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000343895895 444651911 /nfs/dbraw/zinc/65/19/11/444651911.db2.gz LFKACNLIHZGIPT-HKUYNNGSSA-N 2 2 344.503 1.655 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000343895895 444651914 /nfs/dbraw/zinc/65/19/14/444651914.db2.gz LFKACNLIHZGIPT-HKUYNNGSSA-N 2 2 344.503 1.655 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343925260 444673278 /nfs/dbraw/zinc/67/32/78/444673278.db2.gz OLXJTDRYLPCZKQ-YESZJQIVSA-N 2 2 325.497 1.676 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343925260 444673283 /nfs/dbraw/zinc/67/32/83/444673283.db2.gz OLXJTDRYLPCZKQ-YESZJQIVSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000341164837 444705100 /nfs/dbraw/zinc/70/51/00/444705100.db2.gz QZDORPFMJCJGCW-DOTOQJQBSA-N 2 2 332.496 1.000 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000341164837 444705102 /nfs/dbraw/zinc/70/51/02/444705102.db2.gz QZDORPFMJCJGCW-DOTOQJQBSA-N 2 2 332.496 1.000 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc[nH+]1 ZINC000333883066 444707305 /nfs/dbraw/zinc/70/73/05/444707305.db2.gz FAWOMEXJBJZRGV-OWCLPIDISA-N 2 2 344.463 1.005 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333893251 444710709 /nfs/dbraw/zinc/71/07/09/444710709.db2.gz HJVLPFGVKUBHKH-HZPDHXFCSA-N 2 2 329.448 1.575 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]12 ZINC000333910111 444715503 /nfs/dbraw/zinc/71/55/03/444715503.db2.gz LBPBXKBYSZIHRX-HRCADAONSA-N 2 2 329.448 1.561 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000342516237 444726552 /nfs/dbraw/zinc/72/65/52/444726552.db2.gz KBFIXJOREIQJAD-UHFFFAOYSA-N 2 2 326.529 1.593 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000342516237 444726553 /nfs/dbraw/zinc/72/65/53/444726553.db2.gz KBFIXJOREIQJAD-UHFFFAOYSA-N 2 2 326.529 1.593 20 0 EDADLP CCCN(CCC)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000342516237 444726555 /nfs/dbraw/zinc/72/65/55/444726555.db2.gz KBFIXJOREIQJAD-UHFFFAOYSA-N 2 2 326.529 1.593 20 0 EDADLP CCCN(CCC)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000342516237 444726557 /nfs/dbraw/zinc/72/65/57/444726557.db2.gz KBFIXJOREIQJAD-UHFFFAOYSA-N 2 2 326.529 1.593 20 0 EDADLP CO[C@@H]1C[C@@H](C(N)=O)[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000344014007 444728370 /nfs/dbraw/zinc/72/83/70/444728370.db2.gz PJDRQEGDMYBPHQ-SJORKVTESA-N 2 2 333.476 1.719 20 0 EDADLP CO[C@@H]1C[C@@H](C(N)=O)[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000344014007 444728371 /nfs/dbraw/zinc/72/83/71/444728371.db2.gz PJDRQEGDMYBPHQ-SJORKVTESA-N 2 2 333.476 1.719 20 0 EDADLP CO[C@@H]1C[C@@H](C(N)=O)[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000344014007 444728377 /nfs/dbraw/zinc/72/83/77/444728377.db2.gz PJDRQEGDMYBPHQ-SJORKVTESA-N 2 2 333.476 1.719 20 0 EDADLP CO[C@@H]1C[C@@H](C(N)=O)[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000344014007 444728383 /nfs/dbraw/zinc/72/83/83/444728383.db2.gz PJDRQEGDMYBPHQ-SJORKVTESA-N 2 2 333.476 1.719 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCC(=O)NC3(C)C)c2cc1C ZINC000338599812 444768599 /nfs/dbraw/zinc/76/85/99/444768599.db2.gz ROYHETDASROGRD-WMLDXEAASA-N 2 2 344.459 1.661 20 0 EDADLP CCCCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000344095001 444779060 /nfs/dbraw/zinc/77/90/60/444779060.db2.gz HAVNYCHITQSJPT-HRCADAONSA-N 2 2 325.497 1.900 20 0 EDADLP CCCCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000344095001 444779062 /nfs/dbraw/zinc/77/90/62/444779062.db2.gz HAVNYCHITQSJPT-HRCADAONSA-N 2 2 325.497 1.900 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000336854584 444803200 /nfs/dbraw/zinc/80/32/00/444803200.db2.gz FNZACBGFKODEET-CYBMUJFWSA-N 2 2 326.466 1.261 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000330084174 444838910 /nfs/dbraw/zinc/83/89/10/444838910.db2.gz KYMNYODHLXLISU-HZPDHXFCSA-N 2 2 331.464 1.384 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000330084174 444838914 /nfs/dbraw/zinc/83/89/14/444838914.db2.gz KYMNYODHLXLISU-HZPDHXFCSA-N 2 2 331.464 1.384 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000330084174 444838925 /nfs/dbraw/zinc/83/89/25/444838925.db2.gz KYMNYODHLXLISU-HZPDHXFCSA-N 2 2 331.464 1.384 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000341459447 444843409 /nfs/dbraw/zinc/84/34/09/444843409.db2.gz JTGOOMDEXQAKSA-KBAYOESNSA-N 2 2 331.460 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000341459447 444843415 /nfs/dbraw/zinc/84/34/15/444843415.db2.gz JTGOOMDEXQAKSA-KBAYOESNSA-N 2 2 331.460 1.374 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2[nH+]c3cccc(F)c3n2C)CC1 ZINC000336993813 444892013 /nfs/dbraw/zinc/89/20/13/444892013.db2.gz ZBFFRZARDHTVNK-UHFFFAOYSA-N 2 2 348.422 2.399 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000341843778 445030106 /nfs/dbraw/zinc/03/01/06/445030106.db2.gz UQDJGPNNZXKTSV-GZBFAFLISA-N 2 2 346.431 1.217 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000341843778 445030111 /nfs/dbraw/zinc/03/01/11/445030111.db2.gz UQDJGPNNZXKTSV-GZBFAFLISA-N 2 2 346.431 1.217 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3nccn3C)cn2)CC1 ZINC000341762311 444989693 /nfs/dbraw/zinc/98/96/93/444989693.db2.gz SYVPWPKIJVDCLO-OAHLLOKOSA-N 2 2 328.464 1.808 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)[NH+]2CCOCC2)c1 ZINC000341773743 444995698 /nfs/dbraw/zinc/99/56/98/444995698.db2.gz QBQZMULVEVZBEH-NEWSRXKRSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)[NH+]2CCOCC2)c1 ZINC000341773743 444995701 /nfs/dbraw/zinc/99/57/01/444995701.db2.gz QBQZMULVEVZBEH-NEWSRXKRSA-N 2 2 345.487 1.682 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000339067287 445017473 /nfs/dbraw/zinc/01/74/73/445017473.db2.gz FYWSHHJMEZDIRV-UFYCRDLUSA-N 3 2 329.488 1.840 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000339067287 445017478 /nfs/dbraw/zinc/01/74/78/445017478.db2.gz FYWSHHJMEZDIRV-UFYCRDLUSA-N 3 2 329.488 1.840 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000339067287 445017483 /nfs/dbraw/zinc/01/74/83/445017483.db2.gz FYWSHHJMEZDIRV-UFYCRDLUSA-N 3 2 329.488 1.840 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000339067287 445017486 /nfs/dbraw/zinc/01/74/86/445017486.db2.gz FYWSHHJMEZDIRV-UFYCRDLUSA-N 3 2 329.488 1.840 20 0 EDADLP CO[C@H]1CCC[C@H]1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000341881777 445050707 /nfs/dbraw/zinc/05/07/07/445050707.db2.gz ZDLNNBJOCUQSTE-WMZOPIPTSA-N 2 2 325.497 1.188 20 0 EDADLP CO[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000341881777 445050712 /nfs/dbraw/zinc/05/07/12/445050712.db2.gz ZDLNNBJOCUQSTE-WMZOPIPTSA-N 2 2 325.497 1.188 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NCC[NH+]2CCC2)cc1 ZINC000337384084 445057495 /nfs/dbraw/zinc/05/74/95/445057495.db2.gz GKBZDAASPSQAJR-SFHVURJKSA-N 2 2 346.475 1.373 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000343105474 445070190 /nfs/dbraw/zinc/07/01/90/445070190.db2.gz ZBYGRZOSMDPMSJ-ILXRZTDVSA-N 2 2 332.448 1.325 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000343105474 445070195 /nfs/dbraw/zinc/07/01/95/445070195.db2.gz ZBYGRZOSMDPMSJ-ILXRZTDVSA-N 2 2 332.448 1.325 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(=O)OC ZINC000339433467 445139060 /nfs/dbraw/zinc/13/90/60/445139060.db2.gz RZOMCKKVGKNHBA-QILLFSRXSA-N 2 2 339.480 1.108 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C(=O)OC ZINC000339433467 445139062 /nfs/dbraw/zinc/13/90/62/445139062.db2.gz RZOMCKKVGKNHBA-QILLFSRXSA-N 2 2 339.480 1.108 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C(=O)OC ZINC000339433467 445139064 /nfs/dbraw/zinc/13/90/64/445139064.db2.gz RZOMCKKVGKNHBA-QILLFSRXSA-N 2 2 339.480 1.108 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C(=O)OC ZINC000339433467 445139066 /nfs/dbraw/zinc/13/90/66/445139066.db2.gz RZOMCKKVGKNHBA-QILLFSRXSA-N 2 2 339.480 1.108 20 0 EDADLP CC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339266428 445125590 /nfs/dbraw/zinc/12/55/90/445125590.db2.gz ZMQRITYOZYMZRK-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339266428 445125593 /nfs/dbraw/zinc/12/55/93/445125593.db2.gz ZMQRITYOZYMZRK-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP CO[C@@H]1CCCC[C@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344922624 445149454 /nfs/dbraw/zinc/14/94/54/445149454.db2.gz SBQUIILXBVQFEU-CGTJXYLNSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000346216355 445208523 /nfs/dbraw/zinc/20/85/23/445208523.db2.gz HTLARPSPLHEOPZ-YHUYYLMFSA-N 2 2 325.522 1.612 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCSCC1 ZINC000346216355 445208525 /nfs/dbraw/zinc/20/85/25/445208525.db2.gz HTLARPSPLHEOPZ-YHUYYLMFSA-N 2 2 325.522 1.612 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCCCNc2cccc[nH+]2)[N@H+](C)C1 ZINC000346406514 445213639 /nfs/dbraw/zinc/21/36/39/445213639.db2.gz BPRICGBEQSEMPS-CABCVRRESA-N 2 2 335.452 1.244 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCCCNc2cccc[nH+]2)[N@@H+](C)C1 ZINC000346406514 445213642 /nfs/dbraw/zinc/21/36/42/445213642.db2.gz BPRICGBEQSEMPS-CABCVRRESA-N 2 2 335.452 1.244 20 0 EDADLP CCOC(=O)c1cnc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)s1 ZINC000343316445 445195940 /nfs/dbraw/zinc/19/59/40/445195940.db2.gz SIAYKJZYEZICIZ-UHFFFAOYSA-N 2 2 349.460 1.729 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000346963439 445228978 /nfs/dbraw/zinc/22/89/78/445228978.db2.gz AZQULBOWCNAIKD-ATZDWAIDSA-N 2 2 333.476 1.669 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000346963439 445228979 /nfs/dbraw/zinc/22/89/79/445228979.db2.gz AZQULBOWCNAIKD-ATZDWAIDSA-N 2 2 333.476 1.669 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000343514348 445237155 /nfs/dbraw/zinc/23/71/55/445237155.db2.gz JMMPHHKMXUZZCA-UKRRQHHQSA-N 2 2 338.402 1.532 20 0 EDADLP CC[C@H](C(=O)OC)[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348100376 445267812 /nfs/dbraw/zinc/26/78/12/445267812.db2.gz IUSQEXAJISACEA-HZSPNIEDSA-N 2 2 326.416 1.216 20 0 EDADLP CC[C@H](C(=O)OC)[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348100376 445267814 /nfs/dbraw/zinc/26/78/14/445267814.db2.gz IUSQEXAJISACEA-HZSPNIEDSA-N 2 2 326.416 1.216 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]CCNS(=O)(=O)Cc1ccon1 ZINC000348100454 445267890 /nfs/dbraw/zinc/26/78/90/445267890.db2.gz ZEFHYCJYGOPMAE-UHFFFAOYSA-N 2 2 338.433 1.020 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626326 445247153 /nfs/dbraw/zinc/24/71/53/445247153.db2.gz FOTNAAGMPZIFBE-SJORKVTESA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626326 445247158 /nfs/dbraw/zinc/24/71/58/445247158.db2.gz FOTNAAGMPZIFBE-SJORKVTESA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C1)CCCC2 ZINC000351626326 445247162 /nfs/dbraw/zinc/24/71/62/445247162.db2.gz FOTNAAGMPZIFBE-SJORKVTESA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C1)CCCC2 ZINC000351626326 445247165 /nfs/dbraw/zinc/24/71/65/445247165.db2.gz FOTNAAGMPZIFBE-SJORKVTESA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626326 445247168 /nfs/dbraw/zinc/24/71/68/445247168.db2.gz FOTNAAGMPZIFBE-SJORKVTESA-N 2 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626326 445247170 /nfs/dbraw/zinc/24/71/70/445247170.db2.gz FOTNAAGMPZIFBE-SJORKVTESA-N 2 2 332.492 1.772 20 0 EDADLP Cc1ccc(CCC[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c[nH+]1 ZINC000354544598 445288100 /nfs/dbraw/zinc/28/81/00/445288100.db2.gz PNZLWGGQSODVTP-UHFFFAOYSA-N 2 2 333.457 1.802 20 0 EDADLP CC[NH+](CC)[C@@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)c1ccco1 ZINC000348452775 445296515 /nfs/dbraw/zinc/29/65/15/445296515.db2.gz WRISMYGOXDDCAG-KBPBESRZSA-N 2 2 345.403 1.549 20 0 EDADLP CC[NH+](CC)[C@@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)c1ccco1 ZINC000348452775 445296521 /nfs/dbraw/zinc/29/65/21/445296521.db2.gz WRISMYGOXDDCAG-KBPBESRZSA-N 2 2 345.403 1.549 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000351850587 445342575 /nfs/dbraw/zinc/34/25/75/445342575.db2.gz JDMYKENJUMMSJC-LSDHHAIUSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000351850587 445342577 /nfs/dbraw/zinc/34/25/77/445342577.db2.gz JDMYKENJUMMSJC-LSDHHAIUSA-N 2 2 331.464 1.680 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000356967954 445352712 /nfs/dbraw/zinc/35/27/12/445352712.db2.gz AHGMEKFRFNCCBF-UHFFFAOYSA-N 2 2 339.505 1.899 20 0 EDADLP COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]2C ZINC000359653960 445359169 /nfs/dbraw/zinc/35/91/69/445359169.db2.gz WVZPJEVOKFCCBM-GJZGRUSLSA-N 2 2 331.460 1.777 20 0 EDADLP COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]2C ZINC000359653960 445359173 /nfs/dbraw/zinc/35/91/73/445359173.db2.gz WVZPJEVOKFCCBM-GJZGRUSLSA-N 2 2 331.460 1.777 20 0 EDADLP Cc1cc(NC[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)nc[nH+]1 ZINC000359664860 445364274 /nfs/dbraw/zinc/36/42/74/445364274.db2.gz ZKHIGQVTADDAJB-OLZOCXBDSA-N 2 2 331.399 1.670 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCCc1nc2ccccc2s1 ZINC000357071098 445407186 /nfs/dbraw/zinc/40/71/86/445407186.db2.gz BNBBFBDVSOXZGU-KBPBESRZSA-N 2 2 344.484 1.496 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCCc1nc2ccccc2s1 ZINC000357071098 445407192 /nfs/dbraw/zinc/40/71/92/445407192.db2.gz BNBBFBDVSOXZGU-KBPBESRZSA-N 2 2 344.484 1.496 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000362490641 445409321 /nfs/dbraw/zinc/40/93/21/445409321.db2.gz UGOYZLKYEDKNRC-APWZRJJASA-N 2 2 345.487 1.927 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000362490641 445409327 /nfs/dbraw/zinc/40/93/27/445409327.db2.gz UGOYZLKYEDKNRC-APWZRJJASA-N 2 2 345.487 1.927 20 0 EDADLP O=S1(=O)NC(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)=Nc2ccccc21 ZINC000357081620 445414005 /nfs/dbraw/zinc/41/40/05/445414005.db2.gz NPCKSDZTOCKDPT-AWEZNQCLSA-N 2 2 348.472 1.330 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCCSc1ccccc1 ZINC000357088135 445419548 /nfs/dbraw/zinc/41/95/48/445419548.db2.gz OFIVJLHVFPMHHM-CVEARBPZSA-N 2 2 333.501 1.826 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCCSc1ccccc1 ZINC000357088135 445419552 /nfs/dbraw/zinc/41/95/52/445419552.db2.gz OFIVJLHVFPMHHM-CVEARBPZSA-N 2 2 333.501 1.826 20 0 EDADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000362517981 445420791 /nfs/dbraw/zinc/42/07/91/445420791.db2.gz AGYATTIBPYZAQG-NWDGAFQWSA-N 2 2 347.385 1.973 20 0 EDADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000362517981 445420795 /nfs/dbraw/zinc/42/07/95/445420795.db2.gz AGYATTIBPYZAQG-NWDGAFQWSA-N 2 2 347.385 1.973 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2)C[C@@H](C)O1 ZINC000359700437 445382841 /nfs/dbraw/zinc/38/28/41/445382841.db2.gz PHRIUVUPHDDSQT-ZIAGYGMSSA-N 2 2 328.416 1.949 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2)C[C@@H](C)O1 ZINC000359700437 445382845 /nfs/dbraw/zinc/38/28/45/445382845.db2.gz PHRIUVUPHDDSQT-ZIAGYGMSSA-N 2 2 328.416 1.949 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2oncc2C(=O)OC)C1 ZINC000352013310 445438516 /nfs/dbraw/zinc/43/85/16/445438516.db2.gz IPNSGRJOLQCFHO-ZDUSSCGKSA-N 2 2 325.409 1.394 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2oncc2C(=O)OC)C1 ZINC000352013310 445438519 /nfs/dbraw/zinc/43/85/19/445438519.db2.gz IPNSGRJOLQCFHO-ZDUSSCGKSA-N 2 2 325.409 1.394 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000355482041 445464210 /nfs/dbraw/zinc/46/42/10/445464210.db2.gz PCMGNHNVAWRTNC-HNNXBMFYSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000355482041 445464216 /nfs/dbraw/zinc/46/42/16/445464216.db2.gz PCMGNHNVAWRTNC-HNNXBMFYSA-N 2 2 331.464 1.917 20 0 EDADLP CN1CC[NH+]([C@@H](C(=O)N2CCC([NH+](C)C)CC2)c2ccccc2)CC1 ZINC000355543656 445467373 /nfs/dbraw/zinc/46/73/73/445467373.db2.gz IBSCGZUROOTOAW-LJQANCHMSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362712175 445513381 /nfs/dbraw/zinc/51/33/81/445513381.db2.gz VEACDEXKXQLWKD-HOCLYGCPSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362712175 445513384 /nfs/dbraw/zinc/51/33/84/445513384.db2.gz VEACDEXKXQLWKD-HOCLYGCPSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000357276783 445520543 /nfs/dbraw/zinc/52/05/43/445520543.db2.gz XHYXGRGECZWKJC-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000357276783 445520545 /nfs/dbraw/zinc/52/05/45/445520545.db2.gz XHYXGRGECZWKJC-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000355903197 445525030 /nfs/dbraw/zinc/52/50/30/445525030.db2.gz ZMRNCEOYOFLUTN-GJZGRUSLSA-N 2 2 349.479 1.194 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)c1 ZINC000357234133 445497050 /nfs/dbraw/zinc/49/70/50/445497050.db2.gz AZSRRKULPHLWFD-GJZGRUSLSA-N 2 2 331.460 1.756 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)no1 ZINC000355853088 445506044 /nfs/dbraw/zinc/50/60/44/445506044.db2.gz DXYVGRUAGTYXRM-UHFFFAOYSA-N 2 2 325.372 1.852 20 0 EDADLP COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352736363 445551823 /nfs/dbraw/zinc/55/18/23/445551823.db2.gz LSDUAFGUNMNVQM-ZIAGYGMSSA-N 2 2 329.466 1.115 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000349325183 445564191 /nfs/dbraw/zinc/56/41/91/445564191.db2.gz UIRYMGMPXQNRKT-ZWKOTPCHSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000349325183 445564197 /nfs/dbraw/zinc/56/41/97/445564197.db2.gz UIRYMGMPXQNRKT-ZWKOTPCHSA-N 2 2 344.503 1.528 20 0 EDADLP COCC(C)(C)[NH2+]CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000362823637 445565590 /nfs/dbraw/zinc/56/55/90/445565590.db2.gz VLJQLAZUODCXSC-KRWDZBQOSA-N 2 2 349.475 1.018 20 0 EDADLP COCC(C)(C)[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000362823637 445565595 /nfs/dbraw/zinc/56/55/95/445565595.db2.gz VLJQLAZUODCXSC-KRWDZBQOSA-N 2 2 349.475 1.018 20 0 EDADLP OC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccsc1 ZINC000349357113 445570986 /nfs/dbraw/zinc/57/09/86/445570986.db2.gz SSDYRTSOFIIXSO-KRWDZBQOSA-N 2 2 339.505 1.168 20 0 EDADLP OC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccsc1 ZINC000349357113 445570989 /nfs/dbraw/zinc/57/09/89/445570989.db2.gz SSDYRTSOFIIXSO-KRWDZBQOSA-N 2 2 339.505 1.168 20 0 EDADLP CN1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCCn4cc[nH+]c43)C2)CC1 ZINC000362846922 445578872 /nfs/dbraw/zinc/57/88/72/445578872.db2.gz MLSDGZPWCPVVAP-SJORKVTESA-N 2 2 345.491 1.247 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](O)CC(C)(C)C ZINC000362767871 445540958 /nfs/dbraw/zinc/54/09/58/445540958.db2.gz AZBRSYOAELILDW-MRXNPFEDSA-N 2 2 327.513 1.658 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](O)CC(C)(C)C ZINC000362767871 445540961 /nfs/dbraw/zinc/54/09/61/445540961.db2.gz AZBRSYOAELILDW-MRXNPFEDSA-N 2 2 327.513 1.658 20 0 EDADLP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000353470212 445615423 /nfs/dbraw/zinc/61/54/23/445615423.db2.gz JEPGDORRJTVEAZ-MRXNPFEDSA-N 2 2 349.475 1.696 20 0 EDADLP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000353470212 445615425 /nfs/dbraw/zinc/61/54/25/445615425.db2.gz JEPGDORRJTVEAZ-MRXNPFEDSA-N 2 2 349.475 1.696 20 0 EDADLP NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000360186758 445618197 /nfs/dbraw/zinc/61/81/97/445618197.db2.gz HOPRVCJYMZVDFU-GOSISDBHSA-N 2 2 349.450 1.786 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000353513949 445637066 /nfs/dbraw/zinc/63/70/66/445637066.db2.gz GERLZNHYOIDPLT-GDBMZVCRSA-N 2 2 347.459 1.761 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCC[NH+]1CCOCC1 ZINC000349679574 445644081 /nfs/dbraw/zinc/64/40/81/445644081.db2.gz VDHGUSZBFDTEON-UHFFFAOYSA-N 2 2 338.452 1.075 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCC[NH+]1CCOCC1 ZINC000349679574 445644085 /nfs/dbraw/zinc/64/40/85/445644085.db2.gz VDHGUSZBFDTEON-UHFFFAOYSA-N 2 2 338.452 1.075 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3[NH2+]CCO[C@H]3C)n2)C1 ZINC000353540110 445648373 /nfs/dbraw/zinc/64/83/73/445648373.db2.gz YNECUJDIDLXKLY-MBNYWOFBSA-N 2 2 338.477 1.690 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3[NH2+]CCO[C@H]3C)n2)C1 ZINC000353540110 445648378 /nfs/dbraw/zinc/64/83/78/445648378.db2.gz YNECUJDIDLXKLY-MBNYWOFBSA-N 2 2 338.477 1.690 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)CC1 ZINC000363035236 445656424 /nfs/dbraw/zinc/65/64/24/445656424.db2.gz IVNGZJJCZDDPHZ-INIZCTEOSA-N 2 2 348.491 1.028 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)CC1 ZINC000363035236 445656428 /nfs/dbraw/zinc/65/64/28/445656428.db2.gz IVNGZJJCZDDPHZ-INIZCTEOSA-N 2 2 348.491 1.028 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000349778826 445674750 /nfs/dbraw/zinc/67/47/50/445674750.db2.gz XNOCATIKHJLBDL-INIZCTEOSA-N 2 2 328.501 1.471 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](c2noc(CCCC[NH+]3CCOCC3)n2)C1 ZINC000349845302 445695837 /nfs/dbraw/zinc/69/58/37/445695837.db2.gz AWONMBXZYZBASG-OAHLLOKOSA-N 2 2 338.452 1.506 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](c2noc(CCCC[NH+]3CCOCC3)n2)C1 ZINC000349845302 445695841 /nfs/dbraw/zinc/69/58/41/445695841.db2.gz AWONMBXZYZBASG-OAHLLOKOSA-N 2 2 338.452 1.506 20 0 EDADLP CO[C@H]1CCC[C@@H](CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000356257965 445703240 /nfs/dbraw/zinc/70/32/40/445703240.db2.gz DGRHFDMMASJABB-WBVHZDCISA-N 2 2 325.497 1.724 20 0 EDADLP CCOC(=O)COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000356272405 445711267 /nfs/dbraw/zinc/71/12/67/445711267.db2.gz CCUVSSPDZMMUJW-CQSZACIVSA-N 2 2 329.400 1.999 20 0 EDADLP CCOC(=O)COc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000356272405 445711272 /nfs/dbraw/zinc/71/12/72/445711272.db2.gz CCUVSSPDZMMUJW-CQSZACIVSA-N 2 2 329.400 1.999 20 0 EDADLP CC[N@H+](CCOC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000353699705 445714755 /nfs/dbraw/zinc/71/47/55/445714755.db2.gz SSIANGAHCNPFJS-KRWDZBQOSA-N 2 2 333.476 1.860 20 0 EDADLP CC[N@@H+](CCOC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000353699705 445714761 /nfs/dbraw/zinc/71/47/61/445714761.db2.gz SSIANGAHCNPFJS-KRWDZBQOSA-N 2 2 333.476 1.860 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OC ZINC000360583977 445715784 /nfs/dbraw/zinc/71/57/84/445715784.db2.gz PFPYTUBRULLXFH-HOCLYGCPSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OC ZINC000360583977 445715789 /nfs/dbraw/zinc/71/57/89/445715789.db2.gz PFPYTUBRULLXFH-HOCLYGCPSA-N 2 2 326.485 1.221 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[NH+](C)C)c1 ZINC000363195702 445716497 /nfs/dbraw/zinc/71/64/97/445716497.db2.gz HWHTXAXRVRGRDS-RDJZCZTQSA-N 2 2 342.443 1.873 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000353703176 445716685 /nfs/dbraw/zinc/71/66/85/445716685.db2.gz ARWPFDDCBANYNE-KBAYOESNSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206528 445721139 /nfs/dbraw/zinc/72/11/39/445721139.db2.gz LFKUPIBGSQHACJ-INIZCTEOSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206528 445721142 /nfs/dbraw/zinc/72/11/42/445721142.db2.gz LFKUPIBGSQHACJ-INIZCTEOSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000356324696 445736186 /nfs/dbraw/zinc/73/61/86/445736186.db2.gz ZXWGESOOMKXADD-FUHWJXTLSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000356324696 445736188 /nfs/dbraw/zinc/73/61/88/445736188.db2.gz ZXWGESOOMKXADD-FUHWJXTLSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000356324696 445736191 /nfs/dbraw/zinc/73/61/91/445736191.db2.gz ZXWGESOOMKXADD-FUHWJXTLSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000356324696 445736194 /nfs/dbraw/zinc/73/61/94/445736194.db2.gz ZXWGESOOMKXADD-FUHWJXTLSA-N 2 2 337.508 1.724 20 0 EDADLP CCC[N@H+](C)CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000350035327 445753905 /nfs/dbraw/zinc/75/39/05/445753905.db2.gz RQMOYGSIFGWCNO-UHFFFAOYSA-N 2 2 346.475 1.283 20 0 EDADLP CCC[N@@H+](C)CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000350035327 445753910 /nfs/dbraw/zinc/75/39/10/445753910.db2.gz RQMOYGSIFGWCNO-UHFFFAOYSA-N 2 2 346.475 1.283 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000353794339 445759562 /nfs/dbraw/zinc/75/95/62/445759562.db2.gz HDUQLSROFUASGF-OAHLLOKOSA-N 2 2 344.459 1.914 20 0 EDADLP COCC[N@H+]1CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000353794339 445759565 /nfs/dbraw/zinc/75/95/65/445759565.db2.gz HDUQLSROFUASGF-OAHLLOKOSA-N 2 2 344.459 1.914 20 0 EDADLP CN(C(=O)c1ccc(NC=O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363350423 445777093 /nfs/dbraw/zinc/77/70/93/445777093.db2.gz YHITUHCDEAQJQC-GOSISDBHSA-N 2 2 344.459 1.495 20 0 EDADLP CN(C(=O)c1ccc(NC=O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363350423 445777094 /nfs/dbraw/zinc/77/70/94/445777094.db2.gz YHITUHCDEAQJQC-GOSISDBHSA-N 2 2 344.459 1.495 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000350519112 445844695 /nfs/dbraw/zinc/84/46/95/445844695.db2.gz NUTLDDFLTUGZIM-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)c3ccnc(C[NH3+])c3)c[nH+]2)CCO1 ZINC000361610927 445846626 /nfs/dbraw/zinc/84/66/26/445846626.db2.gz POALIBWQGZBLPO-CYBMUJFWSA-N 2 2 341.415 1.090 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CCN1C ZINC000356578207 445868425 /nfs/dbraw/zinc/86/84/25/445868425.db2.gz NZFFLSXRKZPJBJ-CVEARBPZSA-N 2 2 333.480 1.500 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)CCN1C ZINC000356578207 445868428 /nfs/dbraw/zinc/86/84/28/445868428.db2.gz NZFFLSXRKZPJBJ-CVEARBPZSA-N 2 2 333.480 1.500 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NC[C@H](C)[NH+](CC)CC)C2)CC1 ZINC000350732831 445891893 /nfs/dbraw/zinc/89/18/93/445891893.db2.gz SZBLGPJQSZMMOU-IRXDYDNUSA-N 2 2 339.528 1.138 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000350749395 445896798 /nfs/dbraw/zinc/89/67/98/445896798.db2.gz UJPNNXKXNRUEGV-CABCVRRESA-N 2 2 336.484 1.528 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000350750555 445897423 /nfs/dbraw/zinc/89/74/23/445897423.db2.gz ZETTVSRHNSEDIC-FUHWJXTLSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000350750555 445897426 /nfs/dbraw/zinc/89/74/26/445897426.db2.gz ZETTVSRHNSEDIC-FUHWJXTLSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000350750555 445897429 /nfs/dbraw/zinc/89/74/29/445897429.db2.gz ZETTVSRHNSEDIC-FUHWJXTLSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000350750555 445897431 /nfs/dbraw/zinc/89/74/31/445897431.db2.gz ZETTVSRHNSEDIC-FUHWJXTLSA-N 3 2 336.524 1.203 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)Nc3cc(C)no3)CC2)CC1 ZINC000369154049 445956844 /nfs/dbraw/zinc/95/68/44/445956844.db2.gz GLAWCBKOUADABD-UHFFFAOYSA-N 2 2 349.479 1.414 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366009268 445959916 /nfs/dbraw/zinc/95/99/16/445959916.db2.gz RGUPHHIVAGUXIS-KBPBESRZSA-N 2 2 335.452 1.248 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366009268 445959919 /nfs/dbraw/zinc/95/99/19/445959919.db2.gz RGUPHHIVAGUXIS-KBPBESRZSA-N 2 2 335.452 1.248 20 0 EDADLP CC(C)=CC[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000372991180 445963817 /nfs/dbraw/zinc/96/38/17/445963817.db2.gz SCBFHFVRSKMYAZ-INIZCTEOSA-N 2 2 345.491 1.389 20 0 EDADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366064699 445989764 /nfs/dbraw/zinc/98/97/64/445989764.db2.gz YZKWCZVKEFBSEJ-AEFFLSMTSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366064699 445989769 /nfs/dbraw/zinc/98/97/69/445989769.db2.gz YZKWCZVKEFBSEJ-AEFFLSMTSA-N 2 2 335.492 1.574 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000582822145 325934720 /nfs/dbraw/zinc/93/47/20/325934720.db2.gz AALFWALLVOZMCD-QGZVFWFLSA-N 2 2 339.443 1.725 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000369218176 446000844 /nfs/dbraw/zinc/00/08/44/446000844.db2.gz GLLXYSQYRMIYPD-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000369218176 446000850 /nfs/dbraw/zinc/00/08/50/446000850.db2.gz GLLXYSQYRMIYPD-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000369218176 446000854 /nfs/dbraw/zinc/00/08/54/446000854.db2.gz GLLXYSQYRMIYPD-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000369218176 446000858 /nfs/dbraw/zinc/00/08/58/446000858.db2.gz GLLXYSQYRMIYPD-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000583155043 326016159 /nfs/dbraw/zinc/01/61/59/326016159.db2.gz OTQQQFHTELHYNU-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000583155043 326016161 /nfs/dbraw/zinc/01/61/61/326016161.db2.gz OTQQQFHTELHYNU-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCc2ccccc2C1 ZINC000583476913 326079436 /nfs/dbraw/zinc/07/94/36/326079436.db2.gz MOXLHAWFALJCHR-UHFFFAOYSA-N 2 2 325.416 1.117 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)C[C@H](C)O1 ZINC000583495121 326083357 /nfs/dbraw/zinc/08/33/57/326083357.db2.gz QOMAJZWGEMBTTG-DLTWYDFYSA-N 2 2 347.459 1.172 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC[C@@H]2C(=O)Nc3ccccc32)C[C@H](C)O1 ZINC000583495121 326083360 /nfs/dbraw/zinc/08/33/60/326083360.db2.gz QOMAJZWGEMBTTG-DLTWYDFYSA-N 2 2 347.459 1.172 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@]2([NH+](C)C)CCCSC2)C[C@H](C)O1 ZINC000366168371 446056608 /nfs/dbraw/zinc/05/66/08/446056608.db2.gz GCILXYGKKSELRB-UXLLHSPISA-N 2 2 343.537 1.381 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@]2([NH+](C)C)CCCSC2)C[C@H](C)O1 ZINC000366168371 446056612 /nfs/dbraw/zinc/05/66/12/446056612.db2.gz GCILXYGKKSELRB-UXLLHSPISA-N 2 2 343.537 1.381 20 0 EDADLP Cc1cc(OCCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1Cl ZINC000583870560 326156443 /nfs/dbraw/zinc/15/64/43/326156443.db2.gz AGMIPYRAVLYLOH-CQSZACIVSA-N 2 2 339.867 1.909 20 0 EDADLP Cc1cc(OCCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1Cl ZINC000583870560 326156445 /nfs/dbraw/zinc/15/64/45/326156445.db2.gz AGMIPYRAVLYLOH-CQSZACIVSA-N 2 2 339.867 1.909 20 0 EDADLP Cc1cc(OCCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1Cl ZINC000583870559 326156700 /nfs/dbraw/zinc/15/67/00/326156700.db2.gz AGMIPYRAVLYLOH-AWEZNQCLSA-N 2 2 339.867 1.909 20 0 EDADLP Cc1cc(OCCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1Cl ZINC000583870559 326156701 /nfs/dbraw/zinc/15/67/01/326156701.db2.gz AGMIPYRAVLYLOH-AWEZNQCLSA-N 2 2 339.867 1.909 20 0 EDADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000584005096 326183003 /nfs/dbraw/zinc/18/30/03/326183003.db2.gz HWDJXGJFLSOUGF-GZBFAFLISA-N 2 2 341.415 1.350 20 0 EDADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000584005096 326183006 /nfs/dbraw/zinc/18/30/06/326183006.db2.gz HWDJXGJFLSOUGF-GZBFAFLISA-N 2 2 341.415 1.350 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000584208900 326219106 /nfs/dbraw/zinc/21/91/06/326219106.db2.gz PCCCYWBZGMAAGH-UHFFFAOYSA-N 2 2 342.403 1.129 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000584281561 326233929 /nfs/dbraw/zinc/23/39/29/326233929.db2.gz ZFEUPEWGFLBLBZ-JHJVBQTASA-N 2 2 336.402 1.639 20 0 EDADLP C[C@@H]1CSCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000365202946 446077741 /nfs/dbraw/zinc/07/77/41/446077741.db2.gz MJLBZZWJPQRAMQ-LSDHHAIUSA-N 2 2 340.537 1.549 20 0 EDADLP C[C@@H]1CSCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000365202946 446077748 /nfs/dbraw/zinc/07/77/48/446077748.db2.gz MJLBZZWJPQRAMQ-LSDHHAIUSA-N 2 2 340.537 1.549 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1(c2ccccc2)CCOCC1 ZINC000359307774 446138944 /nfs/dbraw/zinc/13/89/44/446138944.db2.gz OQBOOTVCYYVQKT-CALCHBBNSA-N 2 2 343.471 1.002 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1(c2ccccc2)CCOCC1 ZINC000359307774 446138948 /nfs/dbraw/zinc/13/89/48/446138948.db2.gz OQBOOTVCYYVQKT-CALCHBBNSA-N 2 2 343.471 1.002 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nnnn3C3CC3)C2)CC1 ZINC000365234604 446092859 /nfs/dbraw/zinc/09/28/59/446092859.db2.gz OPFOEIFJTIOIQY-HOCLYGCPSA-N 2 2 333.484 1.169 20 0 EDADLP 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C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000418479680 446558515 /nfs/dbraw/zinc/55/85/15/446558515.db2.gz ATBUZINLOFZFAT-ZDUSSCGKSA-N 2 2 336.867 1.948 20 0 EDADLP CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348029 446523531 /nfs/dbraw/zinc/52/35/31/446523531.db2.gz JEEWTMAQCUKJFX-AWEZNQCLSA-N 2 2 331.439 1.675 20 0 EDADLP CCn1c2cccc(F)c2nc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348029 446523535 /nfs/dbraw/zinc/52/35/35/446523535.db2.gz JEEWTMAQCUKJFX-AWEZNQCLSA-N 2 2 331.439 1.675 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420353628 446533571 /nfs/dbraw/zinc/53/35/71/446533571.db2.gz AQJLULQCVUINEW-SPYBWZPUSA-N 2 2 349.475 1.556 20 0 EDADLP COc1ccc(CCNC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1OC ZINC000420356546 446535258 /nfs/dbraw/zinc/53/52/58/446535258.db2.gz CTKAFRPCDRPTQQ-PJIJBLCYSA-N 2 2 349.475 1.339 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000420357361 446537512 /nfs/dbraw/zinc/53/75/12/446537512.db2.gz HNINNOLJIQOBJU-AWEZNQCLSA-N 2 2 343.418 1.910 20 0 EDADLP Cc1cccn2cc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)[nH+]c12 ZINC000433150834 446537713 /nfs/dbraw/zinc/53/77/13/446537713.db2.gz HALGHDSPFLOMGM-UHFFFAOYSA-N 3 2 329.448 1.462 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000420357818 446537965 /nfs/dbraw/zinc/53/79/65/446537965.db2.gz HURJECUBOCBLTM-ZDUSSCGKSA-N 2 2 335.477 1.894 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000420358763 446539770 /nfs/dbraw/zinc/53/97/70/446539770.db2.gz JDIYEDWGSCQRNZ-CYBMUJFWSA-N 2 2 329.391 1.867 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418436957 446541901 /nfs/dbraw/zinc/54/19/01/446541901.db2.gz WZRFUKIONOEUDM-SJORKVTESA-N 2 2 331.464 1.426 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000453088937 446542651 /nfs/dbraw/zinc/54/26/51/446542651.db2.gz QJAKEYUPURNAKF-BEFAXECRSA-N 2 2 326.444 1.416 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000453088937 446542656 /nfs/dbraw/zinc/54/26/56/446542656.db2.gz QJAKEYUPURNAKF-BEFAXECRSA-N 2 2 326.444 1.416 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000418441527 446545211 /nfs/dbraw/zinc/54/52/11/446545211.db2.gz RWXTVHJFTBXOCX-OAHLLOKOSA-N 2 2 326.485 1.256 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000418441527 446545215 /nfs/dbraw/zinc/54/52/15/446545215.db2.gz RWXTVHJFTBXOCX-OAHLLOKOSA-N 2 2 326.485 1.256 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(O)CCc3ccccc3C2)CC1 ZINC000375060669 446554049 /nfs/dbraw/zinc/55/40/49/446554049.db2.gz SZVCDLLRFWAXTC-FQEVSTJZSA-N 2 2 345.487 1.049 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000434006460 446616698 /nfs/dbraw/zinc/61/66/98/446616698.db2.gz PFQOYFKOBBZWQJ-HIFRSBDPSA-N 2 2 347.419 1.340 20 0 EDADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000376582914 446590920 /nfs/dbraw/zinc/59/09/20/446590920.db2.gz DQHSKPVRWXSRIJ-HOCLYGCPSA-N 2 2 331.464 1.916 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423679082 446637864 /nfs/dbraw/zinc/63/78/64/446637864.db2.gz SXZHGZJVSBASFB-RTBURBONSA-N 2 2 343.471 1.633 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423679082 446637866 /nfs/dbraw/zinc/63/78/66/446637866.db2.gz SXZHGZJVSBASFB-RTBURBONSA-N 2 2 343.471 1.633 20 0 EDADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418665171 446640558 /nfs/dbraw/zinc/64/05/58/446640558.db2.gz BYNPDIZXXFZZJJ-UTXMOHQDSA-N 2 2 348.878 1.946 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC2)s1 ZINC000418692752 446649854 /nfs/dbraw/zinc/64/98/54/446649854.db2.gz JBNGQYGLEZGSQG-ZDUSSCGKSA-N 2 2 339.509 1.796 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423710019 446652307 /nfs/dbraw/zinc/65/23/07/446652307.db2.gz JQDVJXLRSOSTBQ-MRXNPFEDSA-N 2 2 337.464 1.565 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418747585 446667714 /nfs/dbraw/zinc/66/77/14/446667714.db2.gz AKZBFBNXUDHHOA-BFHYXJOUSA-N 2 2 330.423 1.499 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418747585 446667717 /nfs/dbraw/zinc/66/77/17/446667717.db2.gz AKZBFBNXUDHHOA-BFHYXJOUSA-N 2 2 330.423 1.499 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434135124 446625451 /nfs/dbraw/zinc/62/54/51/446625451.db2.gz JTWSOYIDGSYXBO-HUUCEWRRSA-N 2 2 337.468 1.190 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000418773429 446690413 /nfs/dbraw/zinc/69/04/13/446690413.db2.gz VGCFUVPOAUGHEV-LSDHHAIUSA-N 2 2 344.450 1.605 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000418773429 446690420 /nfs/dbraw/zinc/69/04/20/446690420.db2.gz VGCFUVPOAUGHEV-LSDHHAIUSA-N 2 2 344.450 1.605 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000371217775 446695488 /nfs/dbraw/zinc/69/54/88/446695488.db2.gz CHSBTMOENJFARV-XYPWUTKMSA-N 2 2 335.492 1.476 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000371217775 446695494 /nfs/dbraw/zinc/69/54/94/446695494.db2.gz CHSBTMOENJFARV-XYPWUTKMSA-N 2 2 335.492 1.476 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423771135 446696623 /nfs/dbraw/zinc/69/66/23/446696623.db2.gz HXELPJDJOKNYJV-HOTGVXAUSA-N 2 2 341.459 1.500 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)[C@@H](C)C1 ZINC000418778848 446697480 /nfs/dbraw/zinc/69/74/80/446697480.db2.gz YXTPHGQXWHCYMD-MJBXVCDLSA-N 2 2 332.439 1.603 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)[C@@H](C)C1 ZINC000418778848 446697491 /nfs/dbraw/zinc/69/74/91/446697491.db2.gz YXTPHGQXWHCYMD-MJBXVCDLSA-N 2 2 332.439 1.603 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(N)c3ccccc3n2)CC1 ZINC000411811239 446679472 /nfs/dbraw/zinc/67/94/72/446679472.db2.gz SUYLQPGTQFMZBU-UHFFFAOYSA-N 2 2 342.491 1.718 20 0 EDADLP CC[C@@H](C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000371295478 446752663 /nfs/dbraw/zinc/75/26/63/446752663.db2.gz RRSUHWLVTMGZOR-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000371295478 446752670 /nfs/dbraw/zinc/75/26/70/446752670.db2.gz RRSUHWLVTMGZOR-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000371295478 446752677 /nfs/dbraw/zinc/75/26/77/446752677.db2.gz RRSUHWLVTMGZOR-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000371295478 446752683 /nfs/dbraw/zinc/75/26/83/446752683.db2.gz RRSUHWLVTMGZOR-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@]1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCCC[NH2+]1 ZINC000376852431 446755984 /nfs/dbraw/zinc/75/59/84/446755984.db2.gz RYWLMFRNBOVJQY-LJQANCHMSA-N 2 2 341.459 1.511 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423906717 446757179 /nfs/dbraw/zinc/75/71/79/446757179.db2.gz AARQRPJBYSJDQW-LBEHMCEESA-N 2 2 337.464 1.776 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423906717 446757184 /nfs/dbraw/zinc/75/71/84/446757184.db2.gz AARQRPJBYSJDQW-LBEHMCEESA-N 2 2 337.464 1.776 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371301075 446757225 /nfs/dbraw/zinc/75/72/25/446757225.db2.gz DALRWVBOHWWPAP-IRXDYDNUSA-N 2 2 345.553 1.158 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371301075 446757231 /nfs/dbraw/zinc/75/72/31/446757231.db2.gz DALRWVBOHWWPAP-IRXDYDNUSA-N 2 2 345.553 1.158 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371303779 446759520 /nfs/dbraw/zinc/75/95/20/446759520.db2.gz PWPSHJJQBZWNDZ-MSOLQXFVSA-N 2 2 338.540 1.593 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371303779 446759524 /nfs/dbraw/zinc/75/95/24/446759524.db2.gz PWPSHJJQBZWNDZ-MSOLQXFVSA-N 2 2 338.540 1.593 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423911688 446761686 /nfs/dbraw/zinc/76/16/86/446761686.db2.gz HLAAKTFXOSSBDU-NUZBWSBOSA-N 2 2 326.416 1.303 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423911688 446761692 /nfs/dbraw/zinc/76/16/92/446761692.db2.gz HLAAKTFXOSSBDU-NUZBWSBOSA-N 2 2 326.416 1.303 20 0 EDADLP CCc1nc(CN2CCC[C@H]([NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)C2)no1 ZINC000371315536 446768744 /nfs/dbraw/zinc/76/87/44/446768744.db2.gz SYDCLVXSPKMPPI-ILXRZTDVSA-N 2 2 333.480 1.811 20 0 EDADLP CCc1nc(CN2CCC[C@H]([NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)C2)no1 ZINC000371315536 446768749 /nfs/dbraw/zinc/76/87/49/446768749.db2.gz SYDCLVXSPKMPPI-ILXRZTDVSA-N 2 2 333.480 1.811 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3COCC[NH2+]3)ccc2n1C1CC1 ZINC000423924491 446775413 /nfs/dbraw/zinc/77/54/13/446775413.db2.gz AEMKWZQHNUGPMD-OAHLLOKOSA-N 2 2 328.416 1.538 20 0 EDADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)[C@H](C)[NH+]1CCOCC1 ZINC000438881945 446801506 /nfs/dbraw/zinc/80/15/06/446801506.db2.gz HESAJJPWOMPDFV-KEYYUXOJSA-N 2 2 344.459 1.263 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000424001814 446816517 /nfs/dbraw/zinc/81/65/17/446816517.db2.gz RWMMBEQJJMAQJQ-VKJFTORMSA-N 2 2 331.464 1.417 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000424001814 446816522 /nfs/dbraw/zinc/81/65/22/446816522.db2.gz RWMMBEQJJMAQJQ-VKJFTORMSA-N 2 2 331.464 1.417 20 0 EDADLP C[C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000424069363 446838429 /nfs/dbraw/zinc/83/84/29/446838429.db2.gz ISNGHQMUSKFKGP-JTDSTZFVSA-N 2 2 345.487 1.964 20 0 EDADLP COc1ccc([C@@H](C)C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371424100 446847210 /nfs/dbraw/zinc/84/72/10/446847210.db2.gz GCKSNRSYEXHSFI-PXNSSMCTSA-N 2 2 347.503 1.747 20 0 EDADLP COc1ccc([C@@H](C)C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371424100 446847219 /nfs/dbraw/zinc/84/72/19/446847219.db2.gz GCKSNRSYEXHSFI-PXNSSMCTSA-N 2 2 347.503 1.747 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccn1 ZINC000371437262 446854601 /nfs/dbraw/zinc/85/46/01/446854601.db2.gz AJVADJYKCUXBOO-ZDUSSCGKSA-N 2 2 329.404 1.032 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccn1 ZINC000371437262 446854606 /nfs/dbraw/zinc/85/46/06/446854606.db2.gz AJVADJYKCUXBOO-ZDUSSCGKSA-N 2 2 329.404 1.032 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000420909333 446882955 /nfs/dbraw/zinc/88/29/55/446882955.db2.gz VRUXQGFQXGCUPI-UHFFFAOYSA-N 2 2 345.491 1.782 20 0 EDADLP COC(=O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC000420915916 446885439 /nfs/dbraw/zinc/88/54/39/446885439.db2.gz GMZZVSVTEVYPOI-QAPCUYQASA-N 2 2 332.444 1.902 20 0 EDADLP COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C ZINC000420915916 446885444 /nfs/dbraw/zinc/88/54/44/446885444.db2.gz GMZZVSVTEVYPOI-QAPCUYQASA-N 2 2 332.444 1.902 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454505886 446894573 /nfs/dbraw/zinc/89/45/73/446894573.db2.gz YGXXHLZZJIARFT-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454505886 446894579 /nfs/dbraw/zinc/89/45/79/446894579.db2.gz YGXXHLZZJIARFT-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454505886 446894584 /nfs/dbraw/zinc/89/45/84/446894584.db2.gz YGXXHLZZJIARFT-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420924632 446894647 /nfs/dbraw/zinc/89/46/47/446894647.db2.gz TXOVGGNSQAICIJ-QGZVFWFLSA-N 2 2 332.448 1.022 20 0 EDADLP CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420924632 446894652 /nfs/dbraw/zinc/89/46/52/446894652.db2.gz TXOVGGNSQAICIJ-QGZVFWFLSA-N 2 2 332.448 1.022 20 0 EDADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1(C(N)=O)CCCC1 ZINC000420937453 446908269 /nfs/dbraw/zinc/90/82/69/446908269.db2.gz LOHSRRSVJNGPGR-UHFFFAOYSA-N 2 2 331.460 1.749 20 0 EDADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1(C(N)=O)CCCC1 ZINC000420937453 446908272 /nfs/dbraw/zinc/90/82/72/446908272.db2.gz LOHSRRSVJNGPGR-UHFFFAOYSA-N 2 2 331.460 1.749 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CCCc3cccc(F)c3)CC2)C(=O)C1 ZINC000371645577 446942235 /nfs/dbraw/zinc/94/22/35/446942235.db2.gz IREHEWSKYRKUGF-UHFFFAOYSA-N 2 2 333.451 1.997 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CCCc3cccc(F)c3)CC2)C(=O)C1 ZINC000371645577 446942242 /nfs/dbraw/zinc/94/22/42/446942242.db2.gz IREHEWSKYRKUGF-UHFFFAOYSA-N 2 2 333.451 1.997 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442761207 446955878 /nfs/dbraw/zinc/95/58/78/446955878.db2.gz WUVVKUJHTRERSS-ZWKOTPCHSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442761207 446955882 /nfs/dbraw/zinc/95/58/82/446955882.db2.gz WUVVKUJHTRERSS-ZWKOTPCHSA-N 3 2 344.503 1.308 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000375667355 446961630 /nfs/dbraw/zinc/96/16/30/446961630.db2.gz VZTLXAQJDHSZBD-OAHLLOKOSA-N 2 2 331.464 1.062 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000375667355 446961636 /nfs/dbraw/zinc/96/16/36/446961636.db2.gz VZTLXAQJDHSZBD-OAHLLOKOSA-N 2 2 331.464 1.062 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000419198567 447007003 /nfs/dbraw/zinc/00/70/03/447007003.db2.gz COTFNGQDUCQAGM-CJNGLKHVSA-N 2 2 343.431 1.149 20 0 EDADLP C[C@@H]1COCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368618178 446983176 /nfs/dbraw/zinc/98/31/76/446983176.db2.gz JNVQLSYYAZDWSC-OWCLPIDISA-N 2 2 338.496 1.127 20 0 EDADLP C[C@@H]1COCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368618178 446983182 /nfs/dbraw/zinc/98/31/82/446983182.db2.gz JNVQLSYYAZDWSC-OWCLPIDISA-N 2 2 338.496 1.127 20 0 EDADLP C[N@@H+]1CCCC12CC[NH+](CCN1C(=O)NC3(CCCC3)C1=O)CC2 ZINC000377200129 446988949 /nfs/dbraw/zinc/98/89/49/446988949.db2.gz XAUWNMJUJWXYPM-UHFFFAOYSA-N 2 2 334.464 1.411 20 0 EDADLP C[N@H+]1CCCC12CC[NH+](CCN1C(=O)NC3(CCCC3)C1=O)CC2 ZINC000377200129 446988953 /nfs/dbraw/zinc/98/89/53/446988953.db2.gz XAUWNMJUJWXYPM-UHFFFAOYSA-N 2 2 334.464 1.411 20 0 EDADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368628584 446991717 /nfs/dbraw/zinc/99/17/17/446991717.db2.gz PNSFCYLEBXHBFM-MRXNPFEDSA-N 2 2 339.443 1.625 20 0 EDADLP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368628584 446991718 /nfs/dbraw/zinc/99/17/18/446991718.db2.gz PNSFCYLEBXHBFM-MRXNPFEDSA-N 2 2 339.443 1.625 20 0 EDADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368628584 446991719 /nfs/dbraw/zinc/99/17/19/446991719.db2.gz PNSFCYLEBXHBFM-MRXNPFEDSA-N 2 2 339.443 1.625 20 0 EDADLP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368628584 446991720 /nfs/dbraw/zinc/99/17/20/446991720.db2.gz PNSFCYLEBXHBFM-MRXNPFEDSA-N 2 2 339.443 1.625 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000375726753 447004491 /nfs/dbraw/zinc/00/44/91/447004491.db2.gz YCFXJURMKQBNQW-YESZJQIVSA-N 2 2 339.480 1.883 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000375726753 447004498 /nfs/dbraw/zinc/00/44/98/447004498.db2.gz YCFXJURMKQBNQW-YESZJQIVSA-N 2 2 339.480 1.883 20 0 EDADLP CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000372308615 447036904 /nfs/dbraw/zinc/03/69/04/447036904.db2.gz ROUAPIZUYBMQOY-HYVNUMGLSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000372308615 447036910 /nfs/dbraw/zinc/03/69/10/447036910.db2.gz ROUAPIZUYBMQOY-HYVNUMGLSA-N 2 2 338.496 1.412 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3cnn(C)c3)CC2)CC1 ZINC000375771439 447036987 /nfs/dbraw/zinc/03/69/87/447036987.db2.gz KORMIRFESIAKTN-OAHLLOKOSA-N 2 2 333.480 1.152 20 0 EDADLP CC(C)(O)C[N@@H+]1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000368701309 447050917 /nfs/dbraw/zinc/05/09/17/447050917.db2.gz GHHOWVXARQMQGF-UHFFFAOYSA-N 2 2 349.479 1.372 20 0 EDADLP CC(C)(O)C[N@H+]1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000368701309 447050924 /nfs/dbraw/zinc/05/09/24/447050924.db2.gz GHHOWVXARQMQGF-UHFFFAOYSA-N 2 2 349.479 1.372 20 0 EDADLP C[C@H](O)CNc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)nc[nH+]1 ZINC000413187040 447056654 /nfs/dbraw/zinc/05/66/54/447056654.db2.gz UHSBQPNEPJIFBX-HNNXBMFYSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@H](O)CNc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)[nH+]cn1 ZINC000413187040 447056660 /nfs/dbraw/zinc/05/66/60/447056660.db2.gz UHSBQPNEPJIFBX-HNNXBMFYSA-N 2 2 349.479 1.351 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000377393506 447107559 /nfs/dbraw/zinc/10/75/59/447107559.db2.gz SKMVMYAPUCTASH-IEBWSBKVSA-N 2 2 332.444 1.652 20 0 EDADLP CCC[C@@H]1CN(c2cc(NC[C@H](C)O)[nH+]cn2)CC[N@@H+]1CCOC ZINC000413225070 447078705 /nfs/dbraw/zinc/07/87/05/447078705.db2.gz ZKPAGEVFKZPMKI-LSDHHAIUSA-N 2 2 337.468 1.206 20 0 EDADLP CCC[C@@H]1CN(c2cc(NC[C@H](C)O)[nH+]cn2)CC[N@H+]1CCOC ZINC000413225070 447078707 /nfs/dbraw/zinc/07/87/07/447078707.db2.gz ZKPAGEVFKZPMKI-LSDHHAIUSA-N 2 2 337.468 1.206 20 0 EDADLP CCN(CCC[NH+]1CCCC1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000425257820 447084143 /nfs/dbraw/zinc/08/41/43/447084143.db2.gz RHADLJRCQPMBBE-MRXNPFEDSA-N 2 2 333.480 1.750 20 0 EDADLP CCN(CCC[NH+]1CCCC1)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000425257820 447084147 /nfs/dbraw/zinc/08/41/47/447084147.db2.gz RHADLJRCQPMBBE-MRXNPFEDSA-N 2 2 333.480 1.750 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3c[nH]c(C(=O)OC)c3)CC2)CC1 ZINC000421372635 447144864 /nfs/dbraw/zinc/14/48/64/447144864.db2.gz LEOXBQSXWHIWRP-UHFFFAOYSA-N 2 2 348.491 1.793 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3c[nH]c(C(=O)OC)c3)CC2)CC1 ZINC000421372635 447144873 /nfs/dbraw/zinc/14/48/73/447144873.db2.gz LEOXBQSXWHIWRP-UHFFFAOYSA-N 2 2 348.491 1.793 20 0 EDADLP C[C@H](CNc1ncnc2c1C[N@H+](C)CC2)[NH+]1CCc2sccc2C1 ZINC000368838197 447148625 /nfs/dbraw/zinc/14/86/25/447148625.db2.gz JTYBSAGIYCWIKK-CYBMUJFWSA-N 2 2 343.500 2.385 20 0 EDADLP C[C@H](CNc1ncnc2c1C[N@@H+](C)CC2)[NH+]1CCc2sccc2C1 ZINC000368838197 447148628 /nfs/dbraw/zinc/14/86/28/447148628.db2.gz JTYBSAGIYCWIKK-CYBMUJFWSA-N 2 2 343.500 2.385 20 0 EDADLP C[C@H](CNc1ncnc2c1C[NH+](C)CC2)[N@@H+]1CCc2sccc2C1 ZINC000368838197 447148633 /nfs/dbraw/zinc/14/86/33/447148633.db2.gz JTYBSAGIYCWIKK-CYBMUJFWSA-N 2 2 343.500 2.385 20 0 EDADLP C[C@H](CNc1ncnc2c1C[NH+](C)CC2)[N@H+]1CCc2sccc2C1 ZINC000368838197 447148636 /nfs/dbraw/zinc/14/86/36/447148636.db2.gz JTYBSAGIYCWIKK-CYBMUJFWSA-N 2 2 343.500 2.385 20 0 EDADLP Cc1cc(C)cc(C[N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000444706617 447126489 /nfs/dbraw/zinc/12/64/89/447126489.db2.gz NYMSTWLFBJEPBN-UHFFFAOYSA-N 2 2 347.503 1.962 20 0 EDADLP Cc1cc(C)cc(C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000444706617 447126493 /nfs/dbraw/zinc/12/64/93/447126493.db2.gz NYMSTWLFBJEPBN-UHFFFAOYSA-N 2 2 347.503 1.962 20 0 EDADLP Cc1c(Cl)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)nn1C ZINC000421318069 447128502 /nfs/dbraw/zinc/12/85/02/447128502.db2.gz BQVPDPODLZXYPP-GFCCVEGCSA-N 2 2 328.888 1.907 20 0 EDADLP Cc1c(Cl)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)nn1C ZINC000421318069 447128506 /nfs/dbraw/zinc/12/85/06/447128506.db2.gz BQVPDPODLZXYPP-GFCCVEGCSA-N 2 2 328.888 1.907 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425505369 447198649 /nfs/dbraw/zinc/19/86/49/447198649.db2.gz YIWNNNJDOUQJHC-YZGWKJHDSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425505369 447198655 /nfs/dbraw/zinc/19/86/55/447198655.db2.gz YIWNNNJDOUQJHC-YZGWKJHDSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425505369 447198660 /nfs/dbraw/zinc/19/86/60/447198660.db2.gz YIWNNNJDOUQJHC-YZGWKJHDSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425505369 447198666 /nfs/dbraw/zinc/19/86/66/447198666.db2.gz YIWNNNJDOUQJHC-YZGWKJHDSA-N 2 2 329.488 1.913 20 0 EDADLP CN1CC[NH+](CC2CC[NH+](Cc3cn(C(C)(C)C)nn3)CC2)CC1 ZINC000377623889 447252109 /nfs/dbraw/zinc/25/21/09/447252109.db2.gz IUQBQUGFUGYJAA-UHFFFAOYSA-N 2 2 334.512 1.493 20 0 EDADLP CCc1ncc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000414278713 447284362 /nfs/dbraw/zinc/28/43/62/447284362.db2.gz XNCSYEZAGGGDFP-UHFFFAOYSA-N 2 2 341.463 1.131 20 0 EDADLP CC1CC[NH+](CC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000447676011 447286483 /nfs/dbraw/zinc/28/64/83/447286483.db2.gz DFIXUYBHFSCABS-UHFFFAOYSA-N 2 2 344.459 1.200 20 0 EDADLP CC1CC[NH+](CC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000447676011 447286486 /nfs/dbraw/zinc/28/64/86/447286486.db2.gz DFIXUYBHFSCABS-UHFFFAOYSA-N 2 2 344.459 1.200 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000369056168 447292709 /nfs/dbraw/zinc/29/27/09/447292709.db2.gz QNJPKDSDQMJAKK-CVEARBPZSA-N 2 2 334.464 1.939 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000369056168 447292716 /nfs/dbraw/zinc/29/27/16/447292716.db2.gz QNJPKDSDQMJAKK-CVEARBPZSA-N 2 2 334.464 1.939 20 0 EDADLP CC(C)[C@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000377654608 447274959 /nfs/dbraw/zinc/27/49/59/447274959.db2.gz RCABDCIELKXZMD-LJQANCHMSA-N 2 2 349.475 1.264 20 0 EDADLP CC(C)[C@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000377654608 447274965 /nfs/dbraw/zinc/27/49/65/447274965.db2.gz RCABDCIELKXZMD-LJQANCHMSA-N 2 2 349.475 1.264 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000377657693 447276912 /nfs/dbraw/zinc/27/69/12/447276912.db2.gz VHVRNXOSTBODLE-MAUKXSAKSA-N 2 2 343.487 1.672 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000377657693 447276920 /nfs/dbraw/zinc/27/69/20/447276920.db2.gz VHVRNXOSTBODLE-MAUKXSAKSA-N 2 2 343.487 1.672 20 0 EDADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369032190 447278882 /nfs/dbraw/zinc/27/88/82/447278882.db2.gz FLMROXMYWJHYST-AWEZNQCLSA-N 2 2 335.452 1.879 20 0 EDADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369032190 447278886 /nfs/dbraw/zinc/27/88/86/447278886.db2.gz FLMROXMYWJHYST-AWEZNQCLSA-N 2 2 335.452 1.879 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)Cn1cccn1 ZINC000379645695 447453444 /nfs/dbraw/zinc/45/34/44/447453444.db2.gz IGDPBXNMKJZNMV-MOPGFXCFSA-N 2 2 328.460 1.888 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)Cn1cccn1 ZINC000379645695 447453447 /nfs/dbraw/zinc/45/34/47/447453447.db2.gz IGDPBXNMKJZNMV-MOPGFXCFSA-N 2 2 328.460 1.888 20 0 EDADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000382028087 447461229 /nfs/dbraw/zinc/46/12/29/447461229.db2.gz BZFBMPNXRCUNBB-HUUCEWRRSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000382028087 447461236 /nfs/dbraw/zinc/46/12/36/447461236.db2.gz BZFBMPNXRCUNBB-HUUCEWRRSA-N 2 2 328.501 1.515 20 0 EDADLP CC(C)Cn1ncnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392764973 447527044 /nfs/dbraw/zinc/52/70/44/447527044.db2.gz SWFLGHCAGSNLCH-HOTGVXAUSA-N 2 2 348.495 1.014 20 0 EDADLP CC(C)Cn1ncnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392764973 447527046 /nfs/dbraw/zinc/52/70/46/447527046.db2.gz SWFLGHCAGSNLCH-HOTGVXAUSA-N 2 2 348.495 1.014 20 0 EDADLP O=C(Nc1cc[nH+]cc1O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000426965257 447521795 /nfs/dbraw/zinc/52/17/95/447521795.db2.gz TVADFENONLOHGF-UHFFFAOYSA-N 2 2 331.282 1.980 20 0 EDADLP C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)[C@@H](c1ccccc1)[NH+](C)C ZINC000458776336 447475710 /nfs/dbraw/zinc/47/57/10/447475710.db2.gz QBGIZEAABUOLJK-YOEHRIQHSA-N 2 2 329.448 1.953 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420020159 447550610 /nfs/dbraw/zinc/55/06/10/447550610.db2.gz RYLYIJZTNQVRMR-ZIAGYGMSSA-N 2 2 335.452 1.056 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416890491 447703139 /nfs/dbraw/zinc/70/31/39/447703139.db2.gz SSMBLDCHMUKCFB-QGZVFWFLSA-N 2 2 334.464 1.277 20 0 EDADLP C[C@H]([NH2+]CCN1C(=O)N[C@H](C)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000459399085 447653404 /nfs/dbraw/zinc/65/34/04/447653404.db2.gz BCTSYPPXRWANDF-QWHCGFSZSA-N 2 2 327.388 1.463 20 0 EDADLP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1CC[C@@H]([NH2+]C)C1)OCO3 ZINC000420171838 447653483 /nfs/dbraw/zinc/65/34/83/447653483.db2.gz SNXWLQMMSCOVCI-LLVKDONJSA-N 2 2 343.383 1.938 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C[C@@H]1C ZINC000422588705 447658358 /nfs/dbraw/zinc/65/83/58/447658358.db2.gz LISOGFPIGCWGDP-GJZGRUSLSA-N 2 2 332.448 1.256 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C[C@@H]1C ZINC000422588705 447658361 /nfs/dbraw/zinc/65/83/61/447658361.db2.gz LISOGFPIGCWGDP-GJZGRUSLSA-N 2 2 332.448 1.256 20 0 EDADLP C[N@H+](CCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000457942971 447679992 /nfs/dbraw/zinc/67/99/92/447679992.db2.gz STKGZPPBHPSJEH-HDICACEKSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@@H+](CCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000457942971 447680001 /nfs/dbraw/zinc/68/00/01/447680001.db2.gz STKGZPPBHPSJEH-HDICACEKSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000457942971 447680007 /nfs/dbraw/zinc/68/00/07/447680007.db2.gz STKGZPPBHPSJEH-HDICACEKSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000457942971 447680012 /nfs/dbraw/zinc/68/00/12/447680012.db2.gz STKGZPPBHPSJEH-HDICACEKSA-N 2 2 346.475 1.281 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH+]2CC(NC(=O)C3CC3)C2)CC1 ZINC000459608621 447720437 /nfs/dbraw/zinc/72/04/37/447720437.db2.gz GNMTWFIRZKUVRP-UHFFFAOYSA-N 2 2 342.487 1.539 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2nc3c(s2)CCC3)CC1 ZINC000459630967 447725655 /nfs/dbraw/zinc/72/56/55/447725655.db2.gz HJTHIIHVKBNHNL-OLZOCXBDSA-N 2 2 336.505 1.835 20 0 EDADLP C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000422731744 447732035 /nfs/dbraw/zinc/73/20/35/447732035.db2.gz MFMRSTCCIDAGOF-BXUZGUMPSA-N 2 2 340.265 1.909 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422739463 447733797 /nfs/dbraw/zinc/73/37/97/447733797.db2.gz LMPONVWGVNINLJ-BBRMVZONSA-N 2 2 325.478 1.461 20 0 EDADLP COc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000422774215 447747050 /nfs/dbraw/zinc/74/70/50/447747050.db2.gz WCZYSLQVGARGEL-IRXDYDNUSA-N 2 2 336.432 1.569 20 0 EDADLP CC(C)C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000422809816 447755758 /nfs/dbraw/zinc/75/57/58/447755758.db2.gz SJUHQJZLCDFTBF-KURKYZTESA-N 2 2 325.497 1.090 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496541593 447813316 /nfs/dbraw/zinc/81/33/16/447813316.db2.gz CRFIYUDZBBRLRE-BPLDGKMQSA-N 2 2 327.469 1.287 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496541593 447813318 /nfs/dbraw/zinc/81/33/18/447813318.db2.gz CRFIYUDZBBRLRE-BPLDGKMQSA-N 2 2 327.469 1.287 20 0 EDADLP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422850145 447769332 /nfs/dbraw/zinc/76/93/32/447769332.db2.gz MYGWTUIYYQDOBF-XPGWFJOJSA-N 2 2 345.487 1.878 20 0 EDADLP COc1cc(OC)cc(OCCC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000422929391 447774154 /nfs/dbraw/zinc/77/41/54/447774154.db2.gz PSYHHSLFNYIMBZ-LSDHHAIUSA-N 2 2 338.448 1.829 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000430551039 447776591 /nfs/dbraw/zinc/77/65/91/447776591.db2.gz PNKXTQCPSDROPE-QGZVFWFLSA-N 3 2 338.521 1.355 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000430551039 447776594 /nfs/dbraw/zinc/77/65/94/447776594.db2.gz PNKXTQCPSDROPE-QGZVFWFLSA-N 2 2 338.521 1.355 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)s1 ZINC000422943014 447776883 /nfs/dbraw/zinc/77/68/83/447776883.db2.gz XJVCNGVIGYJSGT-NSHDSACASA-N 2 2 331.507 1.476 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)c1 ZINC000430565353 447780495 /nfs/dbraw/zinc/78/04/95/447780495.db2.gz FLZAZMSOOFUBKH-SGTLLEGYSA-N 2 2 335.448 1.598 20 0 EDADLP CC(C)C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(=O)NCC[NH+](C)C ZINC000423023859 447793008 /nfs/dbraw/zinc/79/30/08/447793008.db2.gz IHGLXEPAOQXVIW-BZSNNMDCSA-N 3 2 332.492 1.813 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423078937 447800921 /nfs/dbraw/zinc/80/09/21/447800921.db2.gz WWDHWXIPFJLOBS-WMLDXEAASA-N 2 2 340.489 1.727 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000423112845 447808047 /nfs/dbraw/zinc/80/80/47/447808047.db2.gz YDVSRLUJRRBNAV-IXDOHACOSA-N 2 2 335.448 1.181 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000496676730 447846197 /nfs/dbraw/zinc/84/61/97/447846197.db2.gz JYCPIZOZCQGJIR-KRWDZBQOSA-N 2 2 338.452 1.585 20 0 EDADLP CC[C@H](CSc1ccccc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570066315 447942309 /nfs/dbraw/zinc/94/23/09/447942309.db2.gz JTYKRDVWUVGVRZ-CABCVRRESA-N 2 2 336.505 1.842 20 0 EDADLP CC[C@@H](CSc1ccccc1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570066318 447943161 /nfs/dbraw/zinc/94/31/61/447943161.db2.gz JTYKRDVWUVGVRZ-LSDHHAIUSA-N 2 2 336.505 1.842 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000576000632 447948258 /nfs/dbraw/zinc/94/82/58/447948258.db2.gz GVRRFVAGRXWHKE-UHFFFAOYSA-N 2 2 343.475 1.790 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000576000632 447948264 /nfs/dbraw/zinc/94/82/64/447948264.db2.gz GVRRFVAGRXWHKE-UHFFFAOYSA-N 2 2 343.475 1.790 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CCN2C1=O ZINC000575935036 447932888 /nfs/dbraw/zinc/93/28/88/447932888.db2.gz CPIXEPILPWYYLQ-CABCVRRESA-N 2 2 330.819 1.632 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CCN2C1=O ZINC000575935036 447932893 /nfs/dbraw/zinc/93/28/93/447932893.db2.gz CPIXEPILPWYYLQ-CABCVRRESA-N 2 2 330.819 1.632 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000499709357 448083970 /nfs/dbraw/zinc/08/39/70/448083970.db2.gz ADKJGFAZKJDJDN-BZSNNMDCSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000499709357 448083974 /nfs/dbraw/zinc/08/39/74/448083974.db2.gz ADKJGFAZKJDJDN-BZSNNMDCSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[N@H+](C)C1 ZINC000499709357 448083976 /nfs/dbraw/zinc/08/39/76/448083976.db2.gz ADKJGFAZKJDJDN-BZSNNMDCSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[N@@H+](C)C1 ZINC000499709357 448083978 /nfs/dbraw/zinc/08/39/78/448083978.db2.gz ADKJGFAZKJDJDN-BZSNNMDCSA-N 2 2 331.460 1.438 20 0 EDADLP C[NH+](C)C/C=C\C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000491843782 448137368 /nfs/dbraw/zinc/13/73/68/448137368.db2.gz GZXVDADYEMLYAM-OTIVFRFGSA-N 2 2 331.460 1.164 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000531794207 448146530 /nfs/dbraw/zinc/14/65/30/448146530.db2.gz XAPLPPZMKPFYTP-AWEZNQCLSA-N 2 2 328.420 1.370 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000531794207 448146535 /nfs/dbraw/zinc/14/65/35/448146535.db2.gz XAPLPPZMKPFYTP-AWEZNQCLSA-N 2 2 328.420 1.370 20 0 EDADLP CCOC(=O)[C@H]1[C@H]([NH2+]CC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000497093143 448193517 /nfs/dbraw/zinc/19/35/17/448193517.db2.gz JTPMOWSWPBTXBR-CHWSQXEVSA-N 2 2 329.441 1.079 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000571772497 448204292 /nfs/dbraw/zinc/20/42/92/448204292.db2.gz ACTPLNSWULMAHA-CHWSQXEVSA-N 2 2 332.473 1.767 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000571772497 448204295 /nfs/dbraw/zinc/20/42/95/448204295.db2.gz ACTPLNSWULMAHA-CHWSQXEVSA-N 2 2 332.473 1.767 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000514808414 448207456 /nfs/dbraw/zinc/20/74/56/448207456.db2.gz QYTOIQFFDVXOIE-MRXNPFEDSA-N 2 2 339.443 1.724 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000514808414 448207458 /nfs/dbraw/zinc/20/74/58/448207458.db2.gz QYTOIQFFDVXOIE-MRXNPFEDSA-N 2 2 339.443 1.724 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCc3sc(Cl)cc32)[C@@H](C[NH3+])C1 ZINC000514591061 448167802 /nfs/dbraw/zinc/16/78/02/448167802.db2.gz WUAUBNVJSBVUHZ-ONGXEEELSA-N 2 2 328.869 1.673 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCc3sc(Cl)cc32)[C@@H](C[NH3+])C1 ZINC000514591061 448167803 /nfs/dbraw/zinc/16/78/03/448167803.db2.gz WUAUBNVJSBVUHZ-ONGXEEELSA-N 2 2 328.869 1.673 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c[nH+]1 ZINC000582409594 448228669 /nfs/dbraw/zinc/22/86/69/448228669.db2.gz ZATMCVBDWZFKIX-HZPDHXFCSA-N 2 2 331.464 1.679 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000582414553 448229685 /nfs/dbraw/zinc/22/96/85/448229685.db2.gz DSZMCHAGBIOZFB-IVMMDQJWSA-N 2 2 330.457 1.780 20 0 EDADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OCC(C)C ZINC000582431610 448239796 /nfs/dbraw/zinc/23/97/96/448239796.db2.gz KXIORAYJKXWWRU-HZPDHXFCSA-N 2 2 347.459 1.474 20 0 EDADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OCC(C)C ZINC000582431610 448239797 /nfs/dbraw/zinc/23/97/97/448239797.db2.gz KXIORAYJKXWWRU-HZPDHXFCSA-N 2 2 347.459 1.474 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N2CC[NH2+][C@@H](C)C2)[NH+]2CCOCC2)c1 ZINC000577163556 448222113 /nfs/dbraw/zinc/22/21/13/448222113.db2.gz JVOFQBHWGXIXIO-FUHWJXTLSA-N 2 2 346.475 1.372 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000577346682 448269220 /nfs/dbraw/zinc/26/92/20/448269220.db2.gz WMRSSLXEEDPHHE-CALCHBBNSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000577346682 448269222 /nfs/dbraw/zinc/26/92/22/448269222.db2.gz WMRSSLXEEDPHHE-CALCHBBNSA-N 2 2 338.496 1.269 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000572056733 448274477 /nfs/dbraw/zinc/27/44/77/448274477.db2.gz ZCEBAQIGJCOPTF-GOSISDBHSA-N 2 2 348.487 1.490 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000572056733 448274481 /nfs/dbraw/zinc/27/44/81/448274481.db2.gz ZCEBAQIGJCOPTF-GOSISDBHSA-N 2 2 348.487 1.490 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000582494995 448253665 /nfs/dbraw/zinc/25/36/65/448253665.db2.gz RTMYSFMDTVUJKE-OALUTQOASA-N 2 2 335.492 1.271 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000582494995 448253667 /nfs/dbraw/zinc/25/36/67/448253667.db2.gz RTMYSFMDTVUJKE-OALUTQOASA-N 2 2 335.492 1.271 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000591095612 448260437 /nfs/dbraw/zinc/26/04/37/448260437.db2.gz RGGSBCWMQNWFMD-HNNXBMFYSA-N 2 2 344.459 1.157 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000591095612 448260444 /nfs/dbraw/zinc/26/04/44/448260444.db2.gz RGGSBCWMQNWFMD-HNNXBMFYSA-N 2 2 344.459 1.157 20 0 EDADLP COC(=O)c1c(C)c(C)sc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000591284817 448306141 /nfs/dbraw/zinc/30/61/41/448306141.db2.gz SVQXJVMIPHGGTE-LLVKDONJSA-N 2 2 340.449 1.258 20 0 EDADLP COC(=O)c1c(C)c(C)sc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000591284817 448306147 /nfs/dbraw/zinc/30/61/47/448306147.db2.gz SVQXJVMIPHGGTE-LLVKDONJSA-N 2 2 340.449 1.258 20 0 EDADLP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000572121453 448293172 /nfs/dbraw/zinc/29/31/72/448293172.db2.gz WLWWEHYZLRMJLF-QZTJIDSGSA-N 2 2 336.476 1.425 20 0 EDADLP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000572121453 448293177 /nfs/dbraw/zinc/29/31/77/448293177.db2.gz WLWWEHYZLRMJLF-QZTJIDSGSA-N 2 2 336.476 1.425 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(OC3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000582654725 448300592 /nfs/dbraw/zinc/30/05/92/448300592.db2.gz JXLXICLWTFYDHM-INIZCTEOSA-N 2 2 346.475 1.792 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(OC3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000582654725 448300601 /nfs/dbraw/zinc/30/06/01/448300601.db2.gz JXLXICLWTFYDHM-INIZCTEOSA-N 2 2 346.475 1.792 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000532986549 448339370 /nfs/dbraw/zinc/33/93/70/448339370.db2.gz UBHLWOCEXVGXGP-GOSISDBHSA-N 2 2 348.466 1.865 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000532986549 448339374 /nfs/dbraw/zinc/33/93/74/448339374.db2.gz UBHLWOCEXVGXGP-GOSISDBHSA-N 2 2 348.466 1.865 20 0 EDADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CC)ccc2NC1=O ZINC000572254427 448328077 /nfs/dbraw/zinc/32/80/77/448328077.db2.gz NYBSIGRLBZMJFS-XPKDYRNWSA-N 2 2 335.448 1.759 20 0 EDADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CC)ccc2NC1=O ZINC000572254427 448328079 /nfs/dbraw/zinc/32/80/79/448328079.db2.gz NYBSIGRLBZMJFS-XPKDYRNWSA-N 2 2 335.448 1.759 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000533329461 448388032 /nfs/dbraw/zinc/38/80/32/448388032.db2.gz NSBPXSFMJZYKFS-UHFFFAOYSA-N 2 2 340.431 2.065 20 0 EDADLP CO[C@@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000582968692 448392218 /nfs/dbraw/zinc/39/22/18/448392218.db2.gz TZEHKLJKGPPDDT-ZQIUZPCESA-N 2 2 330.432 1.341 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000577831452 448394842 /nfs/dbraw/zinc/39/48/42/448394842.db2.gz LMTNDTCWUIUCCQ-DGCLKSJQSA-N 2 2 342.390 1.633 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000577831452 448394846 /nfs/dbraw/zinc/39/48/46/448394846.db2.gz LMTNDTCWUIUCCQ-DGCLKSJQSA-N 2 2 342.390 1.633 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC000566159858 448399121 /nfs/dbraw/zinc/39/91/21/448399121.db2.gz RNYAGEIPIPEZMI-GJZGRUSLSA-N 2 2 328.476 1.935 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC000566159858 448399125 /nfs/dbraw/zinc/39/91/25/448399125.db2.gz RNYAGEIPIPEZMI-GJZGRUSLSA-N 2 2 328.476 1.935 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000533448378 448403496 /nfs/dbraw/zinc/40/34/96/448403496.db2.gz NXJOSMIEYXSSTQ-VYDXJSESSA-N 2 2 331.464 1.930 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000533448378 448403500 /nfs/dbraw/zinc/40/35/00/448403500.db2.gz NXJOSMIEYXSSTQ-VYDXJSESSA-N 2 2 331.464 1.930 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC12CC2 ZINC000527851729 448374310 /nfs/dbraw/zinc/37/43/10/448374310.db2.gz ASGTZFIFYKNUBI-HZPDHXFCSA-N 2 2 328.460 1.899 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOc2ccc(F)cc2F)C[C@H](C)O1 ZINC000577947541 448423105 /nfs/dbraw/zinc/42/31/05/448423105.db2.gz KOLTXUUVWGWZAK-GUTXKFCHSA-N 2 2 344.402 1.403 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOc2ccc(F)cc2F)C[C@H](C)O1 ZINC000577947541 448423110 /nfs/dbraw/zinc/42/31/10/448423110.db2.gz KOLTXUUVWGWZAK-GUTXKFCHSA-N 2 2 344.402 1.403 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000583089026 448423443 /nfs/dbraw/zinc/42/34/43/448423443.db2.gz HCUCGKXSKDBZMT-BZUAXINKSA-N 2 2 325.497 1.580 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)n1-c1ccccc1 ZINC000534334978 448449575 /nfs/dbraw/zinc/44/95/75/448449575.db2.gz VPHWBLVUOHSQSF-MRXNPFEDSA-N 2 2 335.429 1.084 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000591733759 448476430 /nfs/dbraw/zinc/47/64/30/448476430.db2.gz HRGBOUMJOTVLLH-JKSUJKDBSA-N 2 2 336.432 1.287 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000591733759 448476435 /nfs/dbraw/zinc/47/64/35/448476435.db2.gz HRGBOUMJOTVLLH-JKSUJKDBSA-N 2 2 336.432 1.287 20 0 EDADLP Cc1cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(C)c[nH+]1 ZINC000535060582 448482235 /nfs/dbraw/zinc/48/22/35/448482235.db2.gz BUCZOPGWJODYKX-QGZVFWFLSA-N 2 2 333.480 1.514 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572880603 448488975 /nfs/dbraw/zinc/48/89/75/448488975.db2.gz FGZXYEMRBGSNFC-KXBFYZLASA-N 2 2 333.451 1.948 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572880603 448488979 /nfs/dbraw/zinc/48/89/79/448488979.db2.gz FGZXYEMRBGSNFC-KXBFYZLASA-N 2 2 333.451 1.948 20 0 EDADLP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1[nH+]ccn1Cc1ccccc1 ZINC000516925535 448497581 /nfs/dbraw/zinc/49/75/81/448497581.db2.gz SJGUAXPKSZUPJJ-SFHVURJKSA-N 2 2 339.399 1.105 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000584406426 448513897 /nfs/dbraw/zinc/51/38/97/448513897.db2.gz HDWXFWPGGOAELO-LSDHHAIUSA-N 2 2 331.416 1.626 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000528434249 448527062 /nfs/dbraw/zinc/52/70/62/448527062.db2.gz WMWIPXRKADFPRB-BEFAXECRSA-N 2 2 335.467 1.776 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000528434249 448527066 /nfs/dbraw/zinc/52/70/66/448527066.db2.gz WMWIPXRKADFPRB-BEFAXECRSA-N 2 2 335.467 1.776 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000528532328 448572917 /nfs/dbraw/zinc/57/29/17/448572917.db2.gz VNGXTIBPUGGICB-JAPOXJDPSA-N 2 2 337.508 1.673 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000528532328 448572922 /nfs/dbraw/zinc/57/29/22/448572922.db2.gz VNGXTIBPUGGICB-JAPOXJDPSA-N 2 2 337.508 1.673 20 0 EDADLP Cc1nc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c2c([nH+]1)CCCC2 ZINC000517071918 448535260 /nfs/dbraw/zinc/53/52/60/448535260.db2.gz HKNVIGUVJUATHS-OAHLLOKOSA-N 2 2 343.475 1.455 20 0 EDADLP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000584466234 448536751 /nfs/dbraw/zinc/53/67/51/448536751.db2.gz DFCLMMMPNUMQNN-MRXNPFEDSA-N 2 2 330.457 1.924 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@@H+]1C ZINC000584751552 448616453 /nfs/dbraw/zinc/61/64/53/448616453.db2.gz ZAMZBTDNOJOJSI-ZBFHGGJFSA-N 2 2 332.448 1.126 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@H+]1C ZINC000584751552 448616459 /nfs/dbraw/zinc/61/64/59/448616459.db2.gz ZAMZBTDNOJOJSI-ZBFHGGJFSA-N 2 2 332.448 1.126 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cccc3cccnc32)C[C@@H](C)O1 ZINC000517555971 448591540 /nfs/dbraw/zinc/59/15/40/448591540.db2.gz DSSKDBLPKZWOJG-IIDMSEBBSA-N 2 2 329.444 1.795 20 0 EDADLP C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000528762283 448666304 /nfs/dbraw/zinc/66/63/04/448666304.db2.gz JNQGHEDPHPHNLU-ZDUSSCGKSA-N 2 2 333.423 1.333 20 0 EDADLP C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000528762283 448666312 /nfs/dbraw/zinc/66/63/12/448666312.db2.gz JNQGHEDPHPHNLU-ZDUSSCGKSA-N 2 2 333.423 1.333 20 0 EDADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)sc1Br ZINC000578766790 448633021 /nfs/dbraw/zinc/63/30/21/448633021.db2.gz HMQFFPZXUOHEND-KOLCDFICSA-N 2 2 344.278 1.563 20 0 EDADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)sc1Br ZINC000578766790 448633022 /nfs/dbraw/zinc/63/30/22/448633022.db2.gz HMQFFPZXUOHEND-KOLCDFICSA-N 2 2 344.278 1.563 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000518540821 448690720 /nfs/dbraw/zinc/69/07/20/448690720.db2.gz ZSVHSJIERHQOEI-NXHRZFHOSA-N 2 2 331.460 1.473 20 0 EDADLP Cc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1C ZINC000518714530 448701277 /nfs/dbraw/zinc/70/12/77/448701277.db2.gz QSOBRUBHTOSKJJ-UHFFFAOYSA-N 2 2 347.507 1.866 20 0 EDADLP Cc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1C ZINC000518714530 448701281 /nfs/dbraw/zinc/70/12/81/448701281.db2.gz QSOBRUBHTOSKJJ-UHFFFAOYSA-N 2 2 347.507 1.866 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CCC2 ZINC000573648903 448678317 /nfs/dbraw/zinc/67/83/17/448678317.db2.gz YHLPKSFXIKBPTJ-QGZVFWFLSA-N 2 2 348.472 1.978 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592098629 448683285 /nfs/dbraw/zinc/68/32/85/448683285.db2.gz YDFVJGXMQHZGLC-MRXNPFEDSA-N 2 2 328.416 1.713 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000592098629 448683288 /nfs/dbraw/zinc/68/32/88/448683288.db2.gz YDFVJGXMQHZGLC-MRXNPFEDSA-N 2 2 328.416 1.713 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000579189580 448733751 /nfs/dbraw/zinc/73/37/51/448733751.db2.gz YKFAALZANMVSKL-KRWDZBQOSA-N 2 2 348.495 1.085 20 0 EDADLP C[NH+]1CCN(CCCCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000579189580 448733758 /nfs/dbraw/zinc/73/37/58/448733758.db2.gz YKFAALZANMVSKL-KRWDZBQOSA-N 2 2 348.495 1.085 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCOCC(F)(F)F)C[C@H](C)O1 ZINC000567677154 448734425 /nfs/dbraw/zinc/73/44/25/448734425.db2.gz HNGZCHLYCYQDKF-XQQFMLRXSA-N 2 2 328.375 1.015 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCOCC(F)(F)F)C[C@H](C)O1 ZINC000567677154 448734429 /nfs/dbraw/zinc/73/44/29/448734429.db2.gz HNGZCHLYCYQDKF-XQQFMLRXSA-N 2 2 328.375 1.015 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000519044501 448735298 /nfs/dbraw/zinc/73/52/98/448735298.db2.gz XSLALVWQMJQKRX-MRXNPFEDSA-N 3 2 325.497 1.724 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000519044501 448735302 /nfs/dbraw/zinc/73/53/02/448735302.db2.gz XSLALVWQMJQKRX-MRXNPFEDSA-N 3 2 325.497 1.724 20 0 EDADLP Cc1cc2ncn(C[C@H](O)C[NH2+][C@H]3CCn4cc[nH+]c4C3)c2cc1C ZINC000567711901 448745531 /nfs/dbraw/zinc/74/55/31/448745531.db2.gz UWDYXWYTINHKEE-JKSUJKDBSA-N 2 2 339.443 1.815 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)[C@@H](C[NH3+])C1 ZINC000567716112 448746728 /nfs/dbraw/zinc/74/67/28/448746728.db2.gz FWZVJDOZLCAPKG-BLLLJJGKSA-N 2 2 338.402 1.627 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)[C@@H](C[NH3+])C1 ZINC000567716112 448746733 /nfs/dbraw/zinc/74/67/33/448746733.db2.gz FWZVJDOZLCAPKG-BLLLJJGKSA-N 2 2 338.402 1.627 20 0 EDADLP CC(C)O[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000519148344 448747768 /nfs/dbraw/zinc/74/77/68/448747768.db2.gz CELLYJWGLSRPPL-QGZVFWFLSA-N 2 2 335.448 1.423 20 0 EDADLP CC(C)O[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000519148344 448747774 /nfs/dbraw/zinc/74/77/74/448747774.db2.gz CELLYJWGLSRPPL-QGZVFWFLSA-N 2 2 335.448 1.423 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000573957123 448757918 /nfs/dbraw/zinc/75/79/18/448757918.db2.gz OILVJVLCBPZXBS-LSDHHAIUSA-N 2 2 344.415 1.255 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000573957123 448757921 /nfs/dbraw/zinc/75/79/21/448757921.db2.gz OILVJVLCBPZXBS-LSDHHAIUSA-N 2 2 344.415 1.255 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000568049950 448807642 /nfs/dbraw/zinc/80/76/42/448807642.db2.gz ANSTXDRHGUPYAL-KRWDZBQOSA-N 2 2 325.884 1.818 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000568049950 448807646 /nfs/dbraw/zinc/80/76/46/448807646.db2.gz ANSTXDRHGUPYAL-KRWDZBQOSA-N 2 2 325.884 1.818 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000592278322 448771156 /nfs/dbraw/zinc/77/11/56/448771156.db2.gz JRAGEVGBCLZJFB-ARFHVFGLSA-N 2 2 339.480 1.013 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000592278322 448771163 /nfs/dbraw/zinc/77/11/63/448771163.db2.gz JRAGEVGBCLZJFB-ARFHVFGLSA-N 2 2 339.480 1.013 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCOc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000567830021 448771914 /nfs/dbraw/zinc/77/19/14/448771914.db2.gz DESBJNSWJLYYFH-ZDUSSCGKSA-N 2 2 325.840 1.600 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCOc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000567830021 448771920 /nfs/dbraw/zinc/77/19/20/448771920.db2.gz DESBJNSWJLYYFH-ZDUSSCGKSA-N 2 2 325.840 1.600 20 0 EDADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000574085026 448787750 /nfs/dbraw/zinc/78/77/50/448787750.db2.gz SGVLOUVPJJKWGJ-QGZVFWFLSA-N 2 2 331.460 1.872 20 0 EDADLP CCCOc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000574085026 448787757 /nfs/dbraw/zinc/78/77/57/448787757.db2.gz SGVLOUVPJJKWGJ-QGZVFWFLSA-N 2 2 331.460 1.872 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000574084184 448788181 /nfs/dbraw/zinc/78/81/81/448788181.db2.gz ZGHGVOKXIBZQIV-QGZVFWFLSA-N 2 2 337.489 1.512 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000574084184 448788186 /nfs/dbraw/zinc/78/81/86/448788186.db2.gz ZGHGVOKXIBZQIV-QGZVFWFLSA-N 2 2 337.489 1.512 20 0 EDADLP CCOc1cc2c(cc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)O[C@H](C)C2 ZINC000579459204 448796581 /nfs/dbraw/zinc/79/65/81/448796581.db2.gz GDWBOXGSBUHYCD-DYVFJYSZSA-N 2 2 334.460 1.953 20 0 EDADLP CCOc1cc2c(cc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)O[C@H](C)C2 ZINC000579459204 448796587 /nfs/dbraw/zinc/79/65/87/448796587.db2.gz GDWBOXGSBUHYCD-DYVFJYSZSA-N 2 2 334.460 1.953 20 0 EDADLP C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519690624 448819198 /nfs/dbraw/zinc/81/91/98/448819198.db2.gz HFLGRJZPQJFCFJ-IGCXYCKISA-N 2 2 334.439 1.733 20 0 EDADLP C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519690624 448819203 /nfs/dbraw/zinc/81/92/03/448819203.db2.gz HFLGRJZPQJFCFJ-IGCXYCKISA-N 2 2 334.439 1.733 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000574260173 448829198 /nfs/dbraw/zinc/82/91/98/448829198.db2.gz OGVZZEZPIBBBRV-CVEARBPZSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000574260173 448829204 /nfs/dbraw/zinc/82/92/04/448829204.db2.gz OGVZZEZPIBBBRV-CVEARBPZSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000574260173 448829208 /nfs/dbraw/zinc/82/92/08/448829208.db2.gz OGVZZEZPIBBBRV-CVEARBPZSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000574260173 448829211 /nfs/dbraw/zinc/82/92/11/448829211.db2.gz OGVZZEZPIBBBRV-CVEARBPZSA-N 2 2 333.480 1.970 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471193 448851302 /nfs/dbraw/zinc/85/13/02/448851302.db2.gz IHMWARKLBWKPEQ-UHFFFAOYSA-N 2 2 331.416 1.628 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471193 448851309 /nfs/dbraw/zinc/85/13/09/448851309.db2.gz IHMWARKLBWKPEQ-UHFFFAOYSA-N 2 2 331.416 1.628 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)n2)c(OC)c1 ZINC000574453055 448877344 /nfs/dbraw/zinc/87/73/44/448877344.db2.gz UCMSWYJJCQYDSQ-LBPRGKRZSA-N 2 2 332.404 1.925 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C[NH3+])C3)n2)c(OC)c1 ZINC000574453055 448877346 /nfs/dbraw/zinc/87/73/46/448877346.db2.gz UCMSWYJJCQYDSQ-LBPRGKRZSA-N 2 2 332.404 1.925 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000579812525 448881561 /nfs/dbraw/zinc/88/15/61/448881561.db2.gz CUJQVBSEPBHHFL-MXSMSXNCSA-N 2 2 346.475 1.150 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C[C@@H]21 ZINC000574528351 448896413 /nfs/dbraw/zinc/89/64/13/448896413.db2.gz BCQZATWDFXPTOH-MSOLQXFVSA-N 2 2 339.443 1.777 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000520424749 448897986 /nfs/dbraw/zinc/89/79/86/448897986.db2.gz BZFIDWIPXJWAGZ-MCIONIFRSA-N 2 2 326.403 1.978 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000520424749 448897992 /nfs/dbraw/zinc/89/79/92/448897992.db2.gz BZFIDWIPXJWAGZ-MCIONIFRSA-N 2 2 326.403 1.978 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000520424749 448897998 /nfs/dbraw/zinc/89/79/98/448897998.db2.gz BZFIDWIPXJWAGZ-MCIONIFRSA-N 2 2 326.403 1.978 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000520424749 448897999 /nfs/dbraw/zinc/89/79/99/448897999.db2.gz BZFIDWIPXJWAGZ-MCIONIFRSA-N 2 2 326.403 1.978 20 0 EDADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nnnn3C3CC3)CC2)C[C@H](C)O1 ZINC000588710230 448918799 /nfs/dbraw/zinc/91/87/99/448918799.db2.gz RJWQMMSKSDOWEH-KBPBESRZSA-N 2 2 334.468 1.329 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(Cc2ccccc2Cl)C1 ZINC000579977983 448928617 /nfs/dbraw/zinc/92/86/17/448928617.db2.gz MXNGYTVVDZOVPB-INIZCTEOSA-N 2 2 326.868 1.753 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(Cc2ccccc2Cl)C1 ZINC000579977983 448928623 /nfs/dbraw/zinc/92/86/23/448928623.db2.gz MXNGYTVVDZOVPB-INIZCTEOSA-N 2 2 326.868 1.753 20 0 EDADLP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000569122741 448966901 /nfs/dbraw/zinc/96/69/01/448966901.db2.gz IFJMFKHZWWKBAA-WMZOPIPTSA-N 2 2 331.460 1.944 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)N(C)CCC[NH+](C)C)c2)cc[nH+]1 ZINC000580128745 448939637 /nfs/dbraw/zinc/93/96/37/448939637.db2.gz VFPGNXRCVQVFFM-UHFFFAOYSA-N 2 2 341.459 2.421 20 0 EDADLP CCc1cccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000582053083 448998465 /nfs/dbraw/zinc/99/84/65/448998465.db2.gz JGEYPCYXHXUAOU-KRWDZBQOSA-N 2 2 342.447 1.575 20 0 EDADLP CCc1cccc(NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000582053083 448998468 /nfs/dbraw/zinc/99/84/68/448998468.db2.gz JGEYPCYXHXUAOU-KRWDZBQOSA-N 2 2 342.447 1.575 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(C(=O)OC)CCCC2)CC1 ZINC000589735476 449057359 /nfs/dbraw/zinc/05/73/59/449057359.db2.gz CWYAJLJNKNIHQJ-UHFFFAOYSA-N 2 2 340.464 1.727 20 0 EDADLP CC(C)Oc1cccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000530223622 449086447 /nfs/dbraw/zinc/08/64/47/449086447.db2.gz OXVPVJFHEZCEAL-UHFFFAOYSA-N 2 2 346.475 1.617 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)[nH+]c12 ZINC000530290603 449105395 /nfs/dbraw/zinc/10/53/95/449105395.db2.gz BFTLSQWAUSSXMJ-LSDHHAIUSA-N 2 2 330.432 1.099 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)[nH+]c12 ZINC000530290603 449105401 /nfs/dbraw/zinc/10/54/01/449105401.db2.gz BFTLSQWAUSSXMJ-LSDHHAIUSA-N 2 2 330.432 1.099 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000600065573 449168123 /nfs/dbraw/zinc/16/81/23/449168123.db2.gz FTOWLSJXJIDWAX-GOSISDBHSA-N 2 2 345.487 1.979 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000600065573 449168124 /nfs/dbraw/zinc/16/81/24/449168124.db2.gz FTOWLSJXJIDWAX-GOSISDBHSA-N 2 2 345.487 1.979 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(Cl)o3)C2)CC1 ZINC000604158286 449184423 /nfs/dbraw/zinc/18/44/23/449184423.db2.gz GJXJUGHUEQXTHH-GFCCVEGCSA-N 2 2 340.855 1.901 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(Cl)o3)C2)CC1 ZINC000604158286 449184426 /nfs/dbraw/zinc/18/44/26/449184426.db2.gz GJXJUGHUEQXTHH-GFCCVEGCSA-N 2 2 340.855 1.901 20 0 EDADLP COc1cc2c(cc1C[NH2+]CCC[NH+]1CCC(O)CC1)O[C@@H](C)C2 ZINC000604891728 449324925 /nfs/dbraw/zinc/32/49/25/449324925.db2.gz RJHKENNAZMQQHQ-AWEZNQCLSA-N 2 2 334.460 1.955 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc(C4CC4)s3)C2)CC1 ZINC000602200855 449430061 /nfs/dbraw/zinc/43/00/61/449430061.db2.gz PBVRHTCPQYBJCI-ZDUSSCGKSA-N 2 2 334.489 1.919 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc(C4CC4)s3)C2)CC1 ZINC000602200855 449430067 /nfs/dbraw/zinc/43/00/67/449430067.db2.gz PBVRHTCPQYBJCI-ZDUSSCGKSA-N 2 2 334.489 1.919 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400332 449494841 /nfs/dbraw/zinc/49/48/41/449494841.db2.gz BCCCYDRVRPSNOG-OAGGEKHMSA-N 2 2 345.553 1.675 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400332 449494844 /nfs/dbraw/zinc/49/48/44/449494844.db2.gz BCCCYDRVRPSNOG-OAGGEKHMSA-N 2 2 345.553 1.675 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000594587178 449585588 /nfs/dbraw/zinc/58/55/88/449585588.db2.gz QKCVCJDNSFIZPF-BBWFWOEESA-N 3 2 337.508 1.914 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000594587178 449585591 /nfs/dbraw/zinc/58/55/91/449585591.db2.gz QKCVCJDNSFIZPF-BBWFWOEESA-N 3 2 337.508 1.914 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)[nH]c1C ZINC000602463371 449608925 /nfs/dbraw/zinc/60/89/25/449608925.db2.gz VHLDUDUVOFECGE-QGZVFWFLSA-N 2 2 348.491 1.712 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)[nH]c1C ZINC000602463371 449608931 /nfs/dbraw/zinc/60/89/31/449608931.db2.gz VHLDUDUVOFECGE-QGZVFWFLSA-N 2 2 348.491 1.712 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614438391 449609668 /nfs/dbraw/zinc/60/96/68/449609668.db2.gz QGQGEXZDOGQSSR-INIZCTEOSA-N 2 2 346.475 1.475 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1C ZINC000602479772 449623185 /nfs/dbraw/zinc/62/31/85/449623185.db2.gz BWKZVCVKEWAOPN-NVXWUHKLSA-N 2 2 348.491 1.270 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1C ZINC000602479772 449623187 /nfs/dbraw/zinc/62/31/87/449623187.db2.gz BWKZVCVKEWAOPN-NVXWUHKLSA-N 2 2 348.491 1.270 20 0 EDADLP Cc1cc(=O)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1C1CC1 ZINC000617507997 449658932 /nfs/dbraw/zinc/65/89/32/449658932.db2.gz RHSJKPFUFOVRKW-AWEZNQCLSA-N 2 2 348.491 1.493 20 0 EDADLP Cc1cc(=O)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1C1CC1 ZINC000617507997 449658937 /nfs/dbraw/zinc/65/89/37/449658937.db2.gz RHSJKPFUFOVRKW-AWEZNQCLSA-N 2 2 348.491 1.493 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000617726019 449782351 /nfs/dbraw/zinc/78/23/51/449782351.db2.gz RQADSTCBTMDJRS-CVEARBPZSA-N 2 2 342.443 1.770 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000617726019 449782354 /nfs/dbraw/zinc/78/23/54/449782354.db2.gz RQADSTCBTMDJRS-CVEARBPZSA-N 2 2 342.443 1.770 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617699943 449744810 /nfs/dbraw/zinc/74/48/10/449744810.db2.gz WXLANCYONGMARI-SFHVURJKSA-N 2 2 342.443 1.546 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617699943 449744815 /nfs/dbraw/zinc/74/48/15/449744815.db2.gz WXLANCYONGMARI-SFHVURJKSA-N 2 2 342.443 1.546 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC(=O)NCc1cccs1 ZINC000601335459 449845172 /nfs/dbraw/zinc/84/51/72/449845172.db2.gz UTKDNQFKMNEELU-OCCSQVGLSA-N 2 2 336.461 1.148 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC(=O)NCc1cccs1 ZINC000601335459 449845178 /nfs/dbraw/zinc/84/51/78/449845178.db2.gz UTKDNQFKMNEELU-OCCSQVGLSA-N 2 2 336.461 1.148 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000594946602 449816430 /nfs/dbraw/zinc/81/64/30/449816430.db2.gz PFARMSTWJJCLLJ-DLBZAZTESA-N 2 2 348.495 1.083 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000594946602 449816436 /nfs/dbraw/zinc/81/64/36/449816436.db2.gz PFARMSTWJJCLLJ-DLBZAZTESA-N 2 2 348.495 1.083 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000594959132 449820785 /nfs/dbraw/zinc/82/07/85/449820785.db2.gz UDJMNQGESYRVFD-ARLBYUKCSA-N 2 2 332.448 1.831 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1cc(F)cc(F)c1 ZINC000617764065 449824869 /nfs/dbraw/zinc/82/48/69/449824869.db2.gz HPBMFCQZUIRSQF-UHFFFAOYSA-N 2 2 329.391 1.343 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1cc(F)cc(F)c1 ZINC000617764065 449824875 /nfs/dbraw/zinc/82/48/75/449824875.db2.gz HPBMFCQZUIRSQF-UHFFFAOYSA-N 2 2 329.391 1.343 20 0 EDADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1[C@H](C)C1CC1 ZINC000617765007 449827350 /nfs/dbraw/zinc/82/73/50/449827350.db2.gz PULALTXDFHYLOO-OAHLLOKOSA-N 2 2 335.496 1.776 20 0 EDADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1[C@H](C)C1CC1 ZINC000617765007 449827357 /nfs/dbraw/zinc/82/73/57/449827357.db2.gz PULALTXDFHYLOO-OAHLLOKOSA-N 2 2 335.496 1.776 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000617766340 449829689 /nfs/dbraw/zinc/82/96/89/449829689.db2.gz GWHNPSOEOCZZGJ-UYAOXDASSA-N 2 2 329.488 1.890 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000617766340 449829694 /nfs/dbraw/zinc/82/96/94/449829694.db2.gz GWHNPSOEOCZZGJ-UYAOXDASSA-N 2 2 329.488 1.890 20 0 EDADLP Cc1ccc(C(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000617768739 449833008 /nfs/dbraw/zinc/83/30/08/449833008.db2.gz SIUBRVOYCUUVON-UHFFFAOYSA-N 2 2 348.491 1.033 20 0 EDADLP Cc1ccc(C(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000617768739 449833014 /nfs/dbraw/zinc/83/30/14/449833014.db2.gz SIUBRVOYCUUVON-UHFFFAOYSA-N 2 2 348.491 1.033 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326843 449835494 /nfs/dbraw/zinc/83/54/94/449835494.db2.gz QTFXJARNFFOUSI-QWRGUYRKSA-N 2 2 325.434 1.390 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601326843 449835499 /nfs/dbraw/zinc/83/54/99/449835499.db2.gz QTFXJARNFFOUSI-QWRGUYRKSA-N 2 2 325.434 1.390 20 0 EDADLP C[C@H](CSCCF)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000595007862 449840145 /nfs/dbraw/zinc/84/01/45/449840145.db2.gz QGSNDTBXSDUFRC-OAHLLOKOSA-N 2 2 341.500 1.670 20 0 EDADLP CCCc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000614847694 449844054 /nfs/dbraw/zinc/84/40/54/449844054.db2.gz NIMHWOXERDZTEX-CQSZACIVSA-N 2 2 332.448 1.418 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000599399035 449945345 /nfs/dbraw/zinc/94/53/45/449945345.db2.gz JEQGIONSKWKYMS-GOEBONIOSA-N 2 2 335.448 1.713 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000599399035 449945348 /nfs/dbraw/zinc/94/53/48/449945348.db2.gz JEQGIONSKWKYMS-GOEBONIOSA-N 2 2 335.448 1.713 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612964067 449960381 /nfs/dbraw/zinc/96/03/81/449960381.db2.gz OQVHQRKYZLTDCN-HZPDHXFCSA-N 2 2 339.443 1.951 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612970136 449964025 /nfs/dbraw/zinc/96/40/25/449964025.db2.gz HSMQIRAGPIAMFV-RDJZCZTQSA-N 2 2 343.475 1.612 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258132 449986814 /nfs/dbraw/zinc/98/68/14/449986814.db2.gz MPZRDNXXTSBYND-WDEREUQCSA-N 2 2 347.341 1.297 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258132 449986819 /nfs/dbraw/zinc/98/68/19/449986819.db2.gz MPZRDNXXTSBYND-WDEREUQCSA-N 2 2 347.341 1.297 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000609260074 449991136 /nfs/dbraw/zinc/99/11/36/449991136.db2.gz HQVCZLNNJCJULN-JKSUJKDBSA-N 2 2 348.447 1.322 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000609260074 449991141 /nfs/dbraw/zinc/99/11/41/449991141.db2.gz HQVCZLNNJCJULN-JKSUJKDBSA-N 2 2 348.447 1.322 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000618195114 450050526 /nfs/dbraw/zinc/05/05/26/450050526.db2.gz WMJITYFJRPGKDY-QGZVFWFLSA-N 2 2 333.501 1.797 20 0 EDADLP COc1ccc([C@H](NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C2CC2)cc1 ZINC000613211311 450083009 /nfs/dbraw/zinc/08/30/09/450083009.db2.gz UCPHDVJBWAZCPY-TXPKVOOTSA-N 2 2 329.444 1.414 20 0 EDADLP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000619967700 450386247 /nfs/dbraw/zinc/38/62/47/450386247.db2.gz SLMFMVQUFYASLN-BZUAXINKSA-N 2 2 344.459 1.205 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000618985116 450363154 /nfs/dbraw/zinc/36/31/54/450363154.db2.gz DNKIZKGFRIRRFT-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000618985116 450363157 /nfs/dbraw/zinc/36/31/57/450363157.db2.gz DNKIZKGFRIRRFT-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)C(C)(C)CO ZINC000616873767 450507994 /nfs/dbraw/zinc/50/79/94/450507994.db2.gz RQAULISNFAPNSB-MRXNPFEDSA-N 2 2 348.491 1.860 20 0 EDADLP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620723282 450532454 /nfs/dbraw/zinc/53/24/54/450532454.db2.gz XROIFKNAABHTLQ-KRWDZBQOSA-N 2 2 330.476 1.013 20 0 EDADLP C[NH+](C)C1(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620723282 450532455 /nfs/dbraw/zinc/53/24/55/450532455.db2.gz XROIFKNAABHTLQ-KRWDZBQOSA-N 2 2 330.476 1.013 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000623616285 450551502 /nfs/dbraw/zinc/55/15/02/450551502.db2.gz DFJFTUSNPCVDNB-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000623616285 450551504 /nfs/dbraw/zinc/55/15/04/450551504.db2.gz DFJFTUSNPCVDNB-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000623616285 450551508 /nfs/dbraw/zinc/55/15/08/450551508.db2.gz DFJFTUSNPCVDNB-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000623616285 450551511 /nfs/dbraw/zinc/55/15/11/450551511.db2.gz DFJFTUSNPCVDNB-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CCCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000623633946 450555801 /nfs/dbraw/zinc/55/58/01/450555801.db2.gz KTRNWGOFTWNTCP-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000623633946 450555803 /nfs/dbraw/zinc/55/58/03/450555803.db2.gz KTRNWGOFTWNTCP-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000623634628 450556172 /nfs/dbraw/zinc/55/61/72/450556172.db2.gz NHXTUZMKQDXTGV-ZMSDIMECSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000623634628 450556175 /nfs/dbraw/zinc/55/61/75/450556175.db2.gz NHXTUZMKQDXTGV-ZMSDIMECSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000623647772 450559297 /nfs/dbraw/zinc/55/92/97/450559297.db2.gz OGOHCYIVZPIZSV-HZPDHXFCSA-N 2 2 334.464 1.227 20 0 EDADLP COC[C@]1(C)C[NH+](CC(C)C[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626175313 450609303 /nfs/dbraw/zinc/60/93/03/450609303.db2.gz LZGZCHFNZUHTOI-ROUUACIJSA-N 2 2 344.496 1.097 20 0 EDADLP COC[C@]1(C)C[NH+](CC(C)C[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626175313 450609309 /nfs/dbraw/zinc/60/93/09/450609309.db2.gz LZGZCHFNZUHTOI-ROUUACIJSA-N 2 2 344.496 1.097 20 0 EDADLP COC[C@@]1(C)C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000626176892 450610488 /nfs/dbraw/zinc/61/04/88/450610488.db2.gz YYYQNALBCMJMDL-PKOBYXMFSA-N 2 2 349.475 1.143 20 0 EDADLP COC[C@@]1(C)C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000626176892 450610493 /nfs/dbraw/zinc/61/04/93/450610493.db2.gz YYYQNALBCMJMDL-PKOBYXMFSA-N 2 2 349.475 1.143 20 0 EDADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623838994 450610994 /nfs/dbraw/zinc/61/09/94/450610994.db2.gz IVXNWXSFIKZZNK-SNVBAGLBSA-N 2 2 333.827 1.233 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000633091126 450675486 /nfs/dbraw/zinc/67/54/86/450675486.db2.gz HZEIOCVFMWLIEV-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000633091126 450675491 /nfs/dbraw/zinc/67/54/91/450675491.db2.gz HZEIOCVFMWLIEV-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)C[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)n1cc[nH+]c1 ZINC000635137444 450682178 /nfs/dbraw/zinc/68/21/78/450682178.db2.gz AZDUGBMBPOGHAH-IAGOWNOFSA-N 2 2 336.480 1.943 20 0 EDADLP CC(C)C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)n1cc[nH+]c1 ZINC000635137444 450682184 /nfs/dbraw/zinc/68/21/84/450682184.db2.gz AZDUGBMBPOGHAH-IAGOWNOFSA-N 2 2 336.480 1.943 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635138648 450685274 /nfs/dbraw/zinc/68/52/74/450685274.db2.gz ZQNLQIWPOOBGAJ-FUHWJXTLSA-N 2 2 331.460 1.870 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635138648 450685281 /nfs/dbraw/zinc/68/52/81/450685281.db2.gz ZQNLQIWPOOBGAJ-FUHWJXTLSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635138648 450685287 /nfs/dbraw/zinc/68/52/87/450685287.db2.gz ZQNLQIWPOOBGAJ-FUHWJXTLSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635138648 450685294 /nfs/dbraw/zinc/68/52/94/450685294.db2.gz ZQNLQIWPOOBGAJ-FUHWJXTLSA-N 2 2 331.460 1.870 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000631639418 450689635 /nfs/dbraw/zinc/68/96/35/450689635.db2.gz MLPMMURNUXDSNI-OAHLLOKOSA-N 2 2 340.427 1.871 20 0 EDADLP C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1CO ZINC000621366061 450702329 /nfs/dbraw/zinc/70/23/29/450702329.db2.gz FFPQBUHSNRITTQ-IRXDYDNUSA-N 2 2 346.475 1.071 20 0 EDADLP C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1CO ZINC000621366061 450702335 /nfs/dbraw/zinc/70/23/35/450702335.db2.gz FFPQBUHSNRITTQ-IRXDYDNUSA-N 2 2 346.475 1.071 20 0 EDADLP Fc1ccccc1-c1nc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)co1 ZINC000629531408 450726428 /nfs/dbraw/zinc/72/64/28/450726428.db2.gz KDHSKOUXYUUOOS-OAHLLOKOSA-N 2 2 330.407 1.960 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000624187700 450739980 /nfs/dbraw/zinc/73/99/80/450739980.db2.gz FSGQLVVFTMVJIK-UHFFFAOYSA-N 2 2 349.479 1.249 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000629580559 450747631 /nfs/dbraw/zinc/74/76/31/450747631.db2.gz UVDICJSCOCUSQA-HLLBOEOZSA-N 2 2 331.460 1.399 20 0 EDADLP O[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C[NH+]1CCCC1 ZINC000629583340 450749094 /nfs/dbraw/zinc/74/90/94/450749094.db2.gz ZHKUPLRRJRHNKA-OWCLPIDISA-N 2 2 346.393 1.567 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc[nH]c3=O)c2cc1C ZINC000629614872 450761815 /nfs/dbraw/zinc/76/18/15/450761815.db2.gz PCFCCPREFRMWKL-HNNXBMFYSA-N 2 2 326.400 1.904 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000621642179 450806820 /nfs/dbraw/zinc/80/68/20/450806820.db2.gz HBHPOKOCVXVXMV-INIZCTEOSA-N 3 2 336.524 1.441 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[NH+]2CCOCC2)c1 ZINC000635277966 450808103 /nfs/dbraw/zinc/80/81/03/450808103.db2.gz ITKRTVKVOKZLDF-PKOBYXMFSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[NH+]2CCOCC2)c1 ZINC000635277966 450808109 /nfs/dbraw/zinc/80/81/09/450808109.db2.gz ITKRTVKVOKZLDF-PKOBYXMFSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)CC2 ZINC000626591979 450816422 /nfs/dbraw/zinc/81/64/22/450816422.db2.gz LCHGFESGBFVTLW-GJZGRUSLSA-N 2 2 334.464 1.058 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)CC2 ZINC000626591979 450816426 /nfs/dbraw/zinc/81/64/26/450816426.db2.gz LCHGFESGBFVTLW-GJZGRUSLSA-N 2 2 334.464 1.058 20 0 EDADLP CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000633370743 450823721 /nfs/dbraw/zinc/82/37/21/450823721.db2.gz JAIBOWFKKOTQHN-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000633370743 450823724 /nfs/dbraw/zinc/82/37/24/450823724.db2.gz JAIBOWFKKOTQHN-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP COc1ccc(CN(C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C2CC2)cc1 ZINC000631869251 450836410 /nfs/dbraw/zinc/83/64/10/450836410.db2.gz JCQXANQHNDAACD-UZLBHIALSA-N 2 2 343.471 1.918 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886564 450847133 /nfs/dbraw/zinc/84/71/33/450847133.db2.gz KJBPSTKSIWRAMW-FUHWJXTLSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886564 450847139 /nfs/dbraw/zinc/84/71/39/450847139.db2.gz KJBPSTKSIWRAMW-FUHWJXTLSA-N 2 2 331.460 1.564 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000624579097 450904977 /nfs/dbraw/zinc/90/49/77/450904977.db2.gz ZBZLYCJKVPUDAW-UHFFFAOYSA-N 2 2 343.475 1.329 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000624585277 450907533 /nfs/dbraw/zinc/90/75/33/450907533.db2.gz QRYNJFZGJRXBRC-UHFFFAOYSA-N 2 2 348.369 1.305 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)[nH+]c12 ZINC000624765891 450986155 /nfs/dbraw/zinc/98/61/55/450986155.db2.gz MQPFZFYDQPKBIE-KRWDZBQOSA-N 2 2 342.443 1.508 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)C ZINC000635496122 450990366 /nfs/dbraw/zinc/99/03/66/450990366.db2.gz IGMXINAOLDKLTK-IAGOWNOFSA-N 2 2 333.476 1.686 20 0 EDADLP [NH3+]CCCOCCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000626932023 451014531 /nfs/dbraw/zinc/01/45/31/451014531.db2.gz QHXYTELFMHHBNW-UHFFFAOYSA-N 2 2 335.452 1.237 20 0 EDADLP [NH3+]CCCOCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000626949046 451028646 /nfs/dbraw/zinc/02/86/46/451028646.db2.gz IKKZXVJMTNNWPY-UHFFFAOYSA-N 2 2 335.383 1.176 20 0 EDADLP CC(C)C[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000635545317 451040179 /nfs/dbraw/zinc/04/01/79/451040179.db2.gz RIWVIZYDMUEZQK-QGZVFWFLSA-N 2 2 335.496 1.566 20 0 EDADLP CC(C)C[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000635545317 451040184 /nfs/dbraw/zinc/04/01/84/451040184.db2.gz RIWVIZYDMUEZQK-QGZVFWFLSA-N 2 2 335.496 1.566 20 0 EDADLP Cc1cn2ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2[nH+]1 ZINC000635557183 451054095 /nfs/dbraw/zinc/05/40/95/451054095.db2.gz WTYSMHRLMYNAQL-UHFFFAOYSA-N 3 2 345.491 1.988 20 0 EDADLP Cn1cc(Cl)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000624933575 451068243 /nfs/dbraw/zinc/06/82/43/451068243.db2.gz CNHYUAWCRXZWFO-UHFFFAOYSA-N 2 2 339.871 1.362 20 0 EDADLP CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000635552299 451049994 /nfs/dbraw/zinc/04/99/94/451049994.db2.gz SYJHWQGTCAVKQG-CQSZACIVSA-N 2 2 334.439 1.766 20 0 EDADLP CNc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000635552299 451049996 /nfs/dbraw/zinc/04/99/96/451049996.db2.gz SYJHWQGTCAVKQG-CQSZACIVSA-N 2 2 334.439 1.766 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc(C[NH+](C)C)nc2)no1 ZINC000622344975 451129403 /nfs/dbraw/zinc/12/94/03/451129403.db2.gz MRYVXAMNYVVTEH-UHFFFAOYSA-N 2 2 346.435 1.253 20 0 EDADLP [NH3+]C1(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000627155762 451152656 /nfs/dbraw/zinc/15/26/56/451152656.db2.gz GOGFVDJOSODBNC-UHFFFAOYSA-N 2 2 338.477 1.083 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC000635737442 451207916 /nfs/dbraw/zinc/20/79/16/451207916.db2.gz VFXBXGXVNZMFTH-QGZVFWFLSA-N 2 2 326.444 1.911 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC000635737442 451207921 /nfs/dbraw/zinc/20/79/21/451207921.db2.gz VFXBXGXVNZMFTH-QGZVFWFLSA-N 2 2 326.444 1.911 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000636524394 451267069 /nfs/dbraw/zinc/26/70/69/451267069.db2.gz LYNRXWNEHKLPRB-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+]1CCCCCC1 ZINC000636524394 451267072 /nfs/dbraw/zinc/26/70/72/451267072.db2.gz LYNRXWNEHKLPRB-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@](C)(C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)OC ZINC000638101802 451269587 /nfs/dbraw/zinc/26/95/87/451269587.db2.gz QYOAFPOBXIRNTD-SFHVURJKSA-N 2 2 349.479 1.250 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638123966 451293137 /nfs/dbraw/zinc/29/31/37/451293137.db2.gz YCAIVCRRFXATHH-LJQANCHMSA-N 2 2 346.475 1.525 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000630687306 451341065 /nfs/dbraw/zinc/34/10/65/451341065.db2.gz CIHDRSHZRGAKQC-UHFFFAOYSA-N 2 2 342.447 1.370 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638271843 451390822 /nfs/dbraw/zinc/39/08/22/451390822.db2.gz DMZFJIDNIVLTHE-SFHVURJKSA-N 2 2 334.508 1.492 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000635964590 451402607 /nfs/dbraw/zinc/40/26/07/451402607.db2.gz XYPLDFSJSRPUCQ-BMGDILEWSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1 ZINC000635964590 451402610 /nfs/dbraw/zinc/40/26/10/451402610.db2.gz XYPLDFSJSRPUCQ-BMGDILEWSA-N 2 2 331.460 1.821 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000638286751 451404456 /nfs/dbraw/zinc/40/44/56/451404456.db2.gz PWWFLGVDTCDFHP-FHWLQOOXSA-N 2 2 344.503 1.388 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000638286751 451404462 /nfs/dbraw/zinc/40/44/62/451404462.db2.gz PWWFLGVDTCDFHP-FHWLQOOXSA-N 2 2 344.503 1.388 20 0 EDADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000638294001 451409824 /nfs/dbraw/zinc/40/98/24/451409824.db2.gz OTZJGGSASJGVMD-OAHLLOKOSA-N 2 2 335.448 1.216 20 0 EDADLP CCC[C@@H](CCO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000636680874 451410391 /nfs/dbraw/zinc/41/03/91/451410391.db2.gz QBWLFMSPSMFHNT-HNNXBMFYSA-N 2 2 340.512 1.395 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)[C@@H](C)C1 ZINC000640569116 451413681 /nfs/dbraw/zinc/41/36/81/451413681.db2.gz HPOQEHGJYKGKCK-UONOGXRCSA-N 2 2 335.452 1.062 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C3=CC[C@H]([NH3+])C3)c2)CC1 ZINC000638300508 451415624 /nfs/dbraw/zinc/41/56/24/451415624.db2.gz GREYPWBJQADHAM-KRWDZBQOSA-N 2 2 342.443 1.337 20 0 EDADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636692122 451419040 /nfs/dbraw/zinc/41/90/40/451419040.db2.gz DAJPXHBKJNLWIY-CQSZACIVSA-N 2 2 349.479 1.385 20 0 EDADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636692122 451419044 /nfs/dbraw/zinc/41/90/44/451419044.db2.gz DAJPXHBKJNLWIY-CQSZACIVSA-N 2 2 349.479 1.385 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638384965 451478120 /nfs/dbraw/zinc/47/81/20/451478120.db2.gz GWAGDLJEUYNPOF-LJQANCHMSA-N 2 2 340.471 1.482 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)cc1 ZINC000636066447 451483356 /nfs/dbraw/zinc/48/33/56/451483356.db2.gz UEHAOFXQATWUAB-YTQUADARSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)cc1 ZINC000636066447 451483359 /nfs/dbraw/zinc/48/33/59/451483359.db2.gz UEHAOFXQATWUAB-YTQUADARSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000636066447 451483364 /nfs/dbraw/zinc/48/33/64/451483364.db2.gz UEHAOFXQATWUAB-YTQUADARSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000636066447 451483370 /nfs/dbraw/zinc/48/33/70/451483370.db2.gz UEHAOFXQATWUAB-YTQUADARSA-N 2 2 343.471 1.822 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634706455 451483703 /nfs/dbraw/zinc/48/37/03/451483703.db2.gz PNCCASLHAGZEKA-LBKNJMOBSA-N 2 2 343.471 1.222 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634706455 451483707 /nfs/dbraw/zinc/48/37/07/451483707.db2.gz PNCCASLHAGZEKA-LBKNJMOBSA-N 2 2 343.471 1.222 20 0 EDADLP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nncn1C ZINC000634714686 451495478 /nfs/dbraw/zinc/49/54/78/451495478.db2.gz OZWQUHDPODGESO-HKUYNNGSSA-N 2 2 343.475 1.739 20 0 EDADLP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nncn1C ZINC000634714686 451495484 /nfs/dbraw/zinc/49/54/84/451495484.db2.gz OZWQUHDPODGESO-HKUYNNGSSA-N 2 2 343.475 1.739 20 0 EDADLP COC[C@]1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CCCC[NH2+]1 ZINC000638407259 451495963 /nfs/dbraw/zinc/49/59/63/451495963.db2.gz PYWIDIWJRHOCNR-SFHVURJKSA-N 2 2 332.448 1.457 20 0 EDADLP COc1cccnc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716099 451497472 /nfs/dbraw/zinc/49/74/72/451497472.db2.gz ONXGMYFBNLYSCN-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP COc1cccnc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716099 451497479 /nfs/dbraw/zinc/49/74/79/451497479.db2.gz ONXGMYFBNLYSCN-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP CN(C)c1c[nH+]cc(NCc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000630955751 451508412 /nfs/dbraw/zinc/50/84/12/451508412.db2.gz DLNFRTLWJLJZEK-UHFFFAOYSA-N 2 2 327.436 1.302 20 0 EDADLP COc1ccccc1N1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000631054107 451558141 /nfs/dbraw/zinc/55/81/41/451558141.db2.gz KZNXPYMTDGIRJX-UHFFFAOYSA-N 2 2 346.475 1.028 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000634809316 451565252 /nfs/dbraw/zinc/56/52/52/451565252.db2.gz PNRPAMOUKKQJAU-DAYGRLMNSA-N 2 2 331.464 1.264 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000634809316 451565256 /nfs/dbraw/zinc/56/52/56/451565256.db2.gz PNRPAMOUKKQJAU-DAYGRLMNSA-N 2 2 331.464 1.264 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cnn(C)c1 ZINC000631079014 451571937 /nfs/dbraw/zinc/57/19/37/451571937.db2.gz CFWUCGXJIMVVCM-INIZCTEOSA-N 2 2 344.459 1.982 20 0 EDADLP C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631120779 451595970 /nfs/dbraw/zinc/59/59/70/451595970.db2.gz DCOCIIAAUAUWIO-APWZRJJASA-N 2 2 334.460 1.912 20 0 EDADLP COc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1C ZINC000631136776 451603782 /nfs/dbraw/zinc/60/37/82/451603782.db2.gz ZNCNPWLDCSVTPV-ALOPSCKCSA-N 2 2 346.475 1.572 20 0 EDADLP COc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1C ZINC000631136776 451603787 /nfs/dbraw/zinc/60/37/87/451603787.db2.gz ZNCNPWLDCSVTPV-ALOPSCKCSA-N 2 2 346.475 1.572 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717127 451663843 /nfs/dbraw/zinc/66/38/43/451663843.db2.gz FTUZJONYIJVQAU-XJKSGUPXSA-N 2 2 326.448 1.302 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717127 451663845 /nfs/dbraw/zinc/66/38/45/451663845.db2.gz FTUZJONYIJVQAU-XJKSGUPXSA-N 2 2 326.448 1.302 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)nc(C(C)C)[nH+]1 ZINC000636259612 451629822 /nfs/dbraw/zinc/62/98/22/451629822.db2.gz GHOCELAMEZOXMT-CHWSQXEVSA-N 2 2 328.420 1.963 20 0 EDADLP CN(C(=O)c1[nH]cnc1C(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247594 451661080 /nfs/dbraw/zinc/66/10/80/451661080.db2.gz ZUDBRSKMWOAVHY-OAHLLOKOSA-N 2 2 347.507 1.948 20 0 EDADLP CN(C(=O)c1[nH]cnc1C(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247594 451661084 /nfs/dbraw/zinc/66/10/84/451661084.db2.gz ZUDBRSKMWOAVHY-OAHLLOKOSA-N 2 2 347.507 1.948 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H](C)C1(F)F ZINC000636985437 451661994 /nfs/dbraw/zinc/66/19/94/451661994.db2.gz CIHSVZUKLKVRAY-ZIAGYGMSSA-N 2 2 346.466 1.945 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCCn3nccc32)CC1 ZINC000636985475 451662095 /nfs/dbraw/zinc/66/20/95/451662095.db2.gz DGBLWCUBRCOETB-HNNXBMFYSA-N 2 2 334.468 1.043 20 0 EDADLP CCC(O)(CC)CN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636986102 451662475 /nfs/dbraw/zinc/66/24/75/451662475.db2.gz FYHJGWKRBWTWDT-UHFFFAOYSA-N 2 2 328.501 1.205 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000638873997 451715738 /nfs/dbraw/zinc/71/57/38/451715738.db2.gz OQMVJGHPCYKGCF-UHFFFAOYSA-N 2 2 340.493 1.724 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000632955817 451667190 /nfs/dbraw/zinc/66/71/90/451667190.db2.gz MICOEWFFIGYXLD-UHFFFAOYSA-N 2 2 331.420 1.692 20 0 EDADLP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985185 451746862 /nfs/dbraw/zinc/74/68/62/451746862.db2.gz BNHQTHJHYQDKKW-INIZCTEOSA-N 3 2 331.464 1.727 20 0 EDADLP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004594 451751298 /nfs/dbraw/zinc/75/12/98/451751298.db2.gz PFVZKLXEWWZQFU-UHFFFAOYSA-N 2 2 337.427 1.080 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000644521933 451838874 /nfs/dbraw/zinc/83/88/74/451838874.db2.gz HPVYNCYXTNOMGK-BHIYHBOVSA-N 2 2 347.459 1.601 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000644521933 451838879 /nfs/dbraw/zinc/83/88/79/451838879.db2.gz HPVYNCYXTNOMGK-BHIYHBOVSA-N 2 2 347.459 1.601 20 0 EDADLP CN([C@H](c1nccn1C)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639172009 451784446 /nfs/dbraw/zinc/78/44/46/451784446.db2.gz FYRFFMRJYADOFI-ROUUACIJSA-N 2 2 331.508 1.972 20 0 EDADLP CN([C@H](c1nccn1C)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639172009 451784448 /nfs/dbraw/zinc/78/44/48/451784448.db2.gz FYRFFMRJYADOFI-ROUUACIJSA-N 2 2 331.508 1.972 20 0 EDADLP Cn1ccnc1[C@H](C1CC1)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172009 451784450 /nfs/dbraw/zinc/78/44/50/451784450.db2.gz FYRFFMRJYADOFI-ROUUACIJSA-N 2 2 331.508 1.972 20 0 EDADLP Cn1ccnc1[C@H](C1CC1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172009 451784453 /nfs/dbraw/zinc/78/44/53/451784453.db2.gz FYRFFMRJYADOFI-ROUUACIJSA-N 2 2 331.508 1.972 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000641414395 451952448 /nfs/dbraw/zinc/95/24/48/451952448.db2.gz BRWYUVCRCJTHBD-RHSMWYFYSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000641414395 451952453 /nfs/dbraw/zinc/95/24/53/451952453.db2.gz BRWYUVCRCJTHBD-RHSMWYFYSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc4c3CC[N@H+](C)C4)[C@@H]2C1 ZINC000641414395 451952458 /nfs/dbraw/zinc/95/24/58/451952458.db2.gz BRWYUVCRCJTHBD-RHSMWYFYSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1CC[C@@H]2CCN(S(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)[C@@H]2C1 ZINC000641414395 451952463 /nfs/dbraw/zinc/95/24/63/451952463.db2.gz BRWYUVCRCJTHBD-RHSMWYFYSA-N 2 2 349.500 1.389 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1C[NH2+]CCC1(F)F ZINC000649283468 451955502 /nfs/dbraw/zinc/95/55/02/451955502.db2.gz CXVKNAYFIIOXND-OAHLLOKOSA-N 2 2 334.370 1.792 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649283467 451955681 /nfs/dbraw/zinc/95/56/81/451955681.db2.gz CXVKNAYFIIOXND-HNNXBMFYSA-N 2 2 334.370 1.792 20 0 EDADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000649285805 451959285 /nfs/dbraw/zinc/95/92/85/451959285.db2.gz WBKSDTCLCSIBGA-CABCVRRESA-N 2 2 344.459 1.401 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1c(F)cccc1F ZINC000649321413 451999516 /nfs/dbraw/zinc/99/95/16/451999516.db2.gz WYLLQBQNBCIODX-YCPHGPKFSA-N 2 2 339.386 1.022 20 0 EDADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCc2[nH+]ccn2CC(C)C)cnn1C ZINC000649339815 452021490 /nfs/dbraw/zinc/02/14/90/452021490.db2.gz DYCWSKYQBIVLAC-CVEARBPZSA-N 2 2 344.463 1.200 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([C@H]4CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000643042060 452025454 /nfs/dbraw/zinc/02/54/54/452025454.db2.gz KQZYDVXXQVPQTQ-XIRDDKMYSA-N 2 2 345.491 1.510 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([C@H]4CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000643042060 452025458 /nfs/dbraw/zinc/02/54/58/452025458.db2.gz KQZYDVXXQVPQTQ-XIRDDKMYSA-N 2 2 345.491 1.510 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])([NH+]2CCCCC2)CC1 ZINC000649352704 452037458 /nfs/dbraw/zinc/03/74/58/452037458.db2.gz GHJUHUKBZFQWCR-IRXDYDNUSA-N 3 2 336.524 1.428 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000653611535 452041147 /nfs/dbraw/zinc/04/11/47/452041147.db2.gz BNPOJKRTABUKQM-KGLIPLIRSA-N 2 2 331.254 1.385 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000653611535 452041156 /nfs/dbraw/zinc/04/11/56/452041156.db2.gz BNPOJKRTABUKQM-KGLIPLIRSA-N 2 2 331.254 1.385 20 0 EDADLP C[C@@H](CC(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1)n1cc[nH+]c1 ZINC000651732368 452044157 /nfs/dbraw/zinc/04/41/57/452044157.db2.gz SQVUQVCTFDQZAA-YESZJQIVSA-N 2 2 333.480 1.509 20 0 EDADLP C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641512457 452044816 /nfs/dbraw/zinc/04/48/16/452044816.db2.gz ZEBPNIIKILWOHF-CZUORRHYSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641512457 452044820 /nfs/dbraw/zinc/04/48/20/452044820.db2.gz ZEBPNIIKILWOHF-CZUORRHYSA-N 2 2 337.489 1.388 20 0 EDADLP O=C(NCc1ccc(N2CCc3ccccc3C2)[nH+]c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649373874 452049017 /nfs/dbraw/zinc/04/90/17/452049017.db2.gz QWNFMSCYPYOKTP-RUYXUALKSA-N 2 2 348.450 1.726 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000649414520 452075854 /nfs/dbraw/zinc/07/58/54/452075854.db2.gz FAEVRBNNUOGRFO-OALUTQOASA-N 3 2 346.519 1.449 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000649414520 452075856 /nfs/dbraw/zinc/07/58/56/452075856.db2.gz FAEVRBNNUOGRFO-OALUTQOASA-N 3 2 346.519 1.449 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCCC[NH+](C)C)CC1 ZINC000643216952 452077697 /nfs/dbraw/zinc/07/76/97/452077697.db2.gz VPJXPPWSCBZYGA-UHFFFAOYSA-N 2 2 348.491 1.783 20 0 EDADLP NC(=O)C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC000643250271 452096533 /nfs/dbraw/zinc/09/65/33/452096533.db2.gz SKMCCUZRFVOJGN-UHFFFAOYSA-N 2 2 331.460 1.749 20 0 EDADLP NC(=O)C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCC1 ZINC000643250271 452096540 /nfs/dbraw/zinc/09/65/40/452096540.db2.gz SKMCCUZRFVOJGN-UHFFFAOYSA-N 2 2 331.460 1.749 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647168523 452101738 /nfs/dbraw/zinc/10/17/38/452101738.db2.gz YXNHCGUPEWKUCO-ZDUSSCGKSA-N 2 2 343.468 1.827 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647168523 452101742 /nfs/dbraw/zinc/10/17/42/452101742.db2.gz YXNHCGUPEWKUCO-ZDUSSCGKSA-N 2 2 343.468 1.827 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCCCn3cc[nH+]c3)C2)C1 ZINC000649480462 452103767 /nfs/dbraw/zinc/10/37/67/452103767.db2.gz IUYDOWSYMUJGEQ-ARFHVFGLSA-N 2 2 335.452 1.201 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000649483298 452104995 /nfs/dbraw/zinc/10/49/95/452104995.db2.gz HNCQBDUVXQUQSV-FGTMMUONSA-N 2 2 336.524 1.203 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000649483298 452104997 /nfs/dbraw/zinc/10/49/97/452104997.db2.gz HNCQBDUVXQUQSV-FGTMMUONSA-N 2 2 336.524 1.203 20 0 EDADLP Cc1cncc(CC[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC000649513681 452117171 /nfs/dbraw/zinc/11/71/71/452117171.db2.gz ROZYGKSVRTZCFO-LJQANCHMSA-N 2 2 347.507 1.054 20 0 EDADLP Cc1cncc(CC[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1 ZINC000649513681 452117177 /nfs/dbraw/zinc/11/71/77/452117177.db2.gz ROZYGKSVRTZCFO-LJQANCHMSA-N 2 2 347.507 1.054 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc3n(n2)CCC3)nc[nH+]1 ZINC000649510415 452117224 /nfs/dbraw/zinc/11/72/24/452117224.db2.gz CIKJOTJZSNUMCP-OAHLLOKOSA-N 2 2 327.436 1.420 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC=C(c3cnn(C)c3)C2)CC1 ZINC000639793961 452134130 /nfs/dbraw/zinc/13/41/30/452134130.db2.gz MLBCMZLGAKVLRI-HNNXBMFYSA-N 2 2 331.464 1.062 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC=C(c3cnn(C)c3)C2)CC1 ZINC000639793961 452134136 /nfs/dbraw/zinc/13/41/36/452134136.db2.gz MLBCMZLGAKVLRI-HNNXBMFYSA-N 2 2 331.464 1.062 20 0 EDADLP COc1ccc([C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C2CC2)c(F)c1 ZINC000643344963 452143385 /nfs/dbraw/zinc/14/33/85/452143385.db2.gz APAZTKJJZHINSY-GOSISDBHSA-N 2 2 335.423 1.649 20 0 EDADLP Cc1csc(CC2(O)CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000639808901 452145037 /nfs/dbraw/zinc/14/50/37/452145037.db2.gz AOSKVJFYBNDZCF-OAHLLOKOSA-N 2 2 339.505 1.276 20 0 EDADLP Cc1csc(CC2(O)CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000639808901 452145045 /nfs/dbraw/zinc/14/50/45/452145045.db2.gz AOSKVJFYBNDZCF-OAHLLOKOSA-N 2 2 339.505 1.276 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](Cc2cccc(-c3ccccn3)c2)CC1=O ZINC000651890998 452148231 /nfs/dbraw/zinc/14/82/31/452148231.db2.gz CCAKUCZCHGJFGT-UHFFFAOYSA-N 2 2 338.455 1.954 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)CC1=O ZINC000651890998 452148233 /nfs/dbraw/zinc/14/82/33/452148233.db2.gz CCAKUCZCHGJFGT-UHFFFAOYSA-N 2 2 338.455 1.954 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645112561 452157863 /nfs/dbraw/zinc/15/78/63/452157863.db2.gz NKXCYOCGHDVASL-LSDHHAIUSA-N 2 2 329.435 1.954 20 0 EDADLP CCCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000645115334 452159889 /nfs/dbraw/zinc/15/98/89/452159889.db2.gz NJOUKXWUHPHDED-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645115334 452159893 /nfs/dbraw/zinc/15/98/93/452159893.db2.gz NJOUKXWUHPHDED-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1[nH]c2nc[nH+]c(NC3CC[NH+](CC(=O)N(C)C)CC3)c2c1C ZINC000645167328 452190381 /nfs/dbraw/zinc/19/03/81/452190381.db2.gz HCMKKMIBUWIIMJ-UHFFFAOYSA-N 2 2 330.436 1.539 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](n4cccn4)C3)C2)CC1 ZINC000643406856 452190728 /nfs/dbraw/zinc/19/07/28/452190728.db2.gz GWMIMRNBGHXLDJ-DOTOQJQBSA-N 2 2 346.479 1.008 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](n4cccn4)C3)C2)CC1 ZINC000643406856 452190731 /nfs/dbraw/zinc/19/07/31/452190731.db2.gz GWMIMRNBGHXLDJ-DOTOQJQBSA-N 2 2 346.479 1.008 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000637951999 452198992 /nfs/dbraw/zinc/19/89/92/452198992.db2.gz LAIXRNSELKAXMK-SNVBAGLBSA-N 2 2 326.447 1.498 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000637951999 452198997 /nfs/dbraw/zinc/19/89/97/452198997.db2.gz LAIXRNSELKAXMK-SNVBAGLBSA-N 2 2 326.447 1.498 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC1=O ZINC000649689401 452200160 /nfs/dbraw/zinc/20/01/60/452200160.db2.gz IOZWOHUQAYVRAW-UHFFFAOYSA-N 2 2 345.365 1.791 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1=O ZINC000649689401 452200164 /nfs/dbraw/zinc/20/01/64/452200164.db2.gz IOZWOHUQAYVRAW-UHFFFAOYSA-N 2 2 345.365 1.791 20 0 EDADLP Cc1[nH]c2nc[nH+]c(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2c1C ZINC000645192913 452205474 /nfs/dbraw/zinc/20/54/74/452205474.db2.gz ICJJLYSETXLJSP-AWEZNQCLSA-N 2 2 342.447 1.318 20 0 EDADLP Cc1[nH]c2nc[nH+]c(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c2c1C ZINC000645192913 452205477 /nfs/dbraw/zinc/20/54/77/452205477.db2.gz ICJJLYSETXLJSP-AWEZNQCLSA-N 2 2 342.447 1.318 20 0 EDADLP Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000645233294 452226502 /nfs/dbraw/zinc/22/65/02/452226502.db2.gz AWXVCPAVGLUCIF-INIZCTEOSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000645233294 452226509 /nfs/dbraw/zinc/22/65/09/452226509.db2.gz AWXVCPAVGLUCIF-INIZCTEOSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647493296 452236762 /nfs/dbraw/zinc/23/67/62/452236762.db2.gz ZWLHPNCSJMTUAG-UHFFFAOYSA-N 2 2 349.401 1.007 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647493296 452236766 /nfs/dbraw/zinc/23/67/66/452236766.db2.gz ZWLHPNCSJMTUAG-UHFFFAOYSA-N 2 2 349.401 1.007 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641783862 452251066 /nfs/dbraw/zinc/25/10/66/452251066.db2.gz QQMSJIKHJKNWOO-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641783862 452251079 /nfs/dbraw/zinc/25/10/79/452251079.db2.gz QQMSJIKHJKNWOO-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP COC1([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000641783941 452252099 /nfs/dbraw/zinc/25/20/99/452252099.db2.gz BATKQGDRPRUKCV-IRXDYDNUSA-N 2 2 325.497 1.330 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)C1 ZINC000665696653 452253048 /nfs/dbraw/zinc/25/30/48/452253048.db2.gz URFSBUUGWQAPGK-BZUAXINKSA-N 2 2 333.480 1.651 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000647519132 452253129 /nfs/dbraw/zinc/25/31/29/452253129.db2.gz JLFYUXBDYRKEDE-HZPDHXFCSA-N 2 2 329.444 1.449 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000647519132 452253139 /nfs/dbraw/zinc/25/31/39/452253139.db2.gz JLFYUXBDYRKEDE-HZPDHXFCSA-N 2 2 329.444 1.449 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000655459439 452253454 /nfs/dbraw/zinc/25/34/54/452253454.db2.gz HRDACJOCFHEKLQ-HOCLYGCPSA-N 2 2 328.391 1.758 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000647520104 452254158 /nfs/dbraw/zinc/25/41/58/452254158.db2.gz WBKAHOMHXWSDFD-RLLQIKCJSA-N 2 2 326.440 1.727 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000647520104 452254167 /nfs/dbraw/zinc/25/41/67/452254167.db2.gz WBKAHOMHXWSDFD-RLLQIKCJSA-N 2 2 326.440 1.727 20 0 EDADLP CCCn1nccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786723 452259972 /nfs/dbraw/zinc/25/99/72/452259972.db2.gz RRODAEFXIQSTSL-KRWDZBQOSA-N 2 2 335.496 1.179 20 0 EDADLP Fc1cc(F)cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641788043 452261797 /nfs/dbraw/zinc/26/17/97/452261797.db2.gz HTFFNBGYPAWPNP-SFHVURJKSA-N 2 2 339.430 1.851 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000641788356 452261904 /nfs/dbraw/zinc/26/19/04/452261904.db2.gz YTOYEKKHWSDLCT-GOEBONIOSA-N 2 2 338.521 1.899 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000638020815 452265787 /nfs/dbraw/zinc/26/57/87/452265787.db2.gz AXVCWSBZHDRAEG-UHFFFAOYSA-N 2 2 339.443 1.370 20 0 EDADLP COc1cccc(C)c1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000638023029 452267060 /nfs/dbraw/zinc/26/70/60/452267060.db2.gz LBRQFBDECSPTOY-UHFFFAOYSA-N 2 2 331.460 1.744 20 0 EDADLP COc1ccccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789694 452267700 /nfs/dbraw/zinc/26/77/00/452267700.db2.gz RDVRFELMTKNFAL-GOSISDBHSA-N 2 2 333.476 1.581 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cn2cccc(F)c2n1 ZINC000647539490 452270565 /nfs/dbraw/zinc/27/05/65/452270565.db2.gz IAQIGKMWQIPCHQ-AWEZNQCLSA-N 2 2 333.411 1.293 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cn2cccc(F)c2n1 ZINC000647539490 452270575 /nfs/dbraw/zinc/27/05/75/452270575.db2.gz IAQIGKMWQIPCHQ-AWEZNQCLSA-N 2 2 333.411 1.293 20 0 EDADLP COc1ccc(-c2nc(CN3CC[N@H+](C)C[C@@H]3C[NH3+])cs2)cc1 ZINC000647539321 452270789 /nfs/dbraw/zinc/27/07/89/452270789.db2.gz RCOZYVXKWLVTGE-HNNXBMFYSA-N 2 2 332.473 1.893 20 0 EDADLP COc1ccc(-c2nc(CN3CC[N@@H+](C)C[C@@H]3C[NH3+])cs2)cc1 ZINC000647539321 452270796 /nfs/dbraw/zinc/27/07/96/452270796.db2.gz RCOZYVXKWLVTGE-HNNXBMFYSA-N 2 2 332.473 1.893 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccc(F)cc1 ZINC000659428570 452270845 /nfs/dbraw/zinc/27/08/45/452270845.db2.gz AZLBWQVJUQDKAN-HBSPSFQMSA-N 2 2 343.406 1.700 20 0 EDADLP COc1ccc(-c2nc(CN3CC[N@H+](C)C[C@H]3C[NH3+])cs2)cc1 ZINC000647539322 452271595 /nfs/dbraw/zinc/27/15/95/452271595.db2.gz RCOZYVXKWLVTGE-OAHLLOKOSA-N 2 2 332.473 1.893 20 0 EDADLP COc1ccc(-c2nc(CN3CC[N@@H+](C)C[C@H]3C[NH3+])cs2)cc1 ZINC000647539322 452271606 /nfs/dbraw/zinc/27/16/06/452271606.db2.gz RCOZYVXKWLVTGE-OAHLLOKOSA-N 2 2 332.473 1.893 20 0 EDADLP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647538513 452272137 /nfs/dbraw/zinc/27/21/37/452272137.db2.gz VUOJZFKRLAEXNE-NVXWUHKLSA-N 2 2 337.489 1.892 20 0 EDADLP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000647538513 452272147 /nfs/dbraw/zinc/27/21/47/452272147.db2.gz VUOJZFKRLAEXNE-NVXWUHKLSA-N 2 2 337.489 1.892 20 0 EDADLP CCc1nc(C)c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)o1 ZINC000641800523 452274445 /nfs/dbraw/zinc/27/44/45/452274445.db2.gz YUWHQTZYYYUFII-UHFFFAOYSA-N 2 2 330.436 1.620 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000647549159 452277067 /nfs/dbraw/zinc/27/70/67/452277067.db2.gz KNDMAYVVAPJHMD-QAPCUYQASA-N 2 2 330.476 1.443 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647549158 452277805 /nfs/dbraw/zinc/27/78/05/452277805.db2.gz KNDMAYVVAPJHMD-MAUKXSAKSA-N 2 2 330.476 1.443 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NCC3([NH3+])CCCC3)c[nH+]2)CCO1 ZINC000659432660 452279067 /nfs/dbraw/zinc/27/90/67/452279067.db2.gz IERMLRYPQLRXPX-AWEZNQCLSA-N 2 2 347.463 1.377 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H](C)[NH2+]C2CC2)cc1 ZINC000645317026 452295497 /nfs/dbraw/zinc/29/54/97/452295497.db2.gz PWZMZECNVNXAFQ-MAUKXSAKSA-N 2 2 331.460 1.625 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[N@H+]3CCC[C@H](C)C3)cc2[nH+]1 ZINC000657521819 452305442 /nfs/dbraw/zinc/30/54/42/452305442.db2.gz DFINOAGFPPMITN-ZDUSSCGKSA-N 2 2 343.431 1.429 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)cc2[nH+]1 ZINC000657521819 452305448 /nfs/dbraw/zinc/30/54/48/452305448.db2.gz DFINOAGFPPMITN-ZDUSSCGKSA-N 2 2 343.431 1.429 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000638049465 452316721 /nfs/dbraw/zinc/31/67/21/452316721.db2.gz WWAMDRNGXLXWPP-KRWDZBQOSA-N 2 2 340.427 1.309 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000638048398 452318600 /nfs/dbraw/zinc/31/86/00/452318600.db2.gz OMJWKNBYTWRGAW-QGZVFWFLSA-N 2 2 326.400 1.439 20 0 EDADLP [NH3+]C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(F)(F)F ZINC000655516403 452326419 /nfs/dbraw/zinc/32/64/19/452326419.db2.gz UROOTBCWTIMFLW-ZDUSSCGKSA-N 2 2 331.338 1.138 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC/C=C\C[NH3+])CC2)c1 ZINC000641861818 452329327 /nfs/dbraw/zinc/32/93/27/452329327.db2.gz FJTCFXOEOIWFMY-ABCZVMIZSA-N 2 2 332.448 1.598 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)NC/C=C/C[NH3+])CC2)c1 ZINC000641864393 452331360 /nfs/dbraw/zinc/33/13/60/452331360.db2.gz DDIZSJZFEKYBNZ-ONEGZZNKSA-N 2 2 348.447 1.046 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000638056161 452341909 /nfs/dbraw/zinc/34/19/09/452341909.db2.gz WUZVDTAHFKKQPQ-QZTJIDSGSA-N 2 2 333.476 1.940 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccn(C(F)F)c3=O)CC2)C1 ZINC000638057478 452344723 /nfs/dbraw/zinc/34/47/23/452344723.db2.gz QLSABHZKWOUFBF-OAHLLOKOSA-N 2 2 340.418 1.455 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccn(C(F)F)c3=O)CC2)C1 ZINC000638057478 452344733 /nfs/dbraw/zinc/34/47/33/452344733.db2.gz QLSABHZKWOUFBF-OAHLLOKOSA-N 2 2 340.418 1.455 20 0 EDADLP [NH3+]C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCOC1 ZINC000638079343 452394566 /nfs/dbraw/zinc/39/45/66/452394566.db2.gz MEFKENHLTLPZTQ-SFHVURJKSA-N 2 2 333.432 1.213 20 0 EDADLP C[N@H+](C[C@@H]1COCCO1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000661612316 452431039 /nfs/dbraw/zinc/43/10/39/452431039.db2.gz QQYQJYXJHCOKAD-RTBURBONSA-N 2 2 334.460 1.625 20 0 EDADLP C[N@@H+](C[C@@H]1COCCO1)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000661612316 452431041 /nfs/dbraw/zinc/43/10/41/452431041.db2.gz QQYQJYXJHCOKAD-RTBURBONSA-N 2 2 334.460 1.625 20 0 EDADLP C[NH+](C[C@@H]1COCCO1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000661612316 452431044 /nfs/dbraw/zinc/43/10/44/452431044.db2.gz QQYQJYXJHCOKAD-RTBURBONSA-N 2 2 334.460 1.625 20 0 EDADLP C[NH+](C[C@@H]1COCCO1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000661612316 452431048 /nfs/dbraw/zinc/43/10/48/452431048.db2.gz QQYQJYXJHCOKAD-RTBURBONSA-N 2 2 334.460 1.625 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](Cc3ccc(O)cc3)CC2)C[C@H](C)O1 ZINC000640110520 452434341 /nfs/dbraw/zinc/43/43/41/452434341.db2.gz FTGPQXYJBHWHCG-CALCHBBNSA-N 2 2 333.476 1.619 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC[NH+](Cc3ccc(O)cc3)CC2)C[C@H](C)O1 ZINC000640110520 452434351 /nfs/dbraw/zinc/43/43/51/452434351.db2.gz FTGPQXYJBHWHCG-CALCHBBNSA-N 2 2 333.476 1.619 20 0 EDADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000640130659 452452494 /nfs/dbraw/zinc/45/24/94/452452494.db2.gz GCUNKQMKDXUXDD-DGCLKSJQSA-N 2 2 336.358 1.196 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C[NH3+])o3)cc2)CC1 ZINC000645482985 452453118 /nfs/dbraw/zinc/45/31/18/452453118.db2.gz LZIUBRCPCJTHNW-UHFFFAOYSA-N 2 2 328.416 1.738 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[NH3+])o3)cc2)CC1 ZINC000645482985 452453124 /nfs/dbraw/zinc/45/31/24/452453124.db2.gz LZIUBRCPCJTHNW-UHFFFAOYSA-N 2 2 328.416 1.738 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@@H]21 ZINC000663720243 452458053 /nfs/dbraw/zinc/45/80/53/452458053.db2.gz HLJZEHVOTGBVNL-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@@H]21 ZINC000663720243 452458059 /nfs/dbraw/zinc/45/80/59/452458059.db2.gz HLJZEHVOTGBVNL-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@@H]21 ZINC000663720243 452458064 /nfs/dbraw/zinc/45/80/64/452458064.db2.gz HLJZEHVOTGBVNL-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@@H]21 ZINC000663720243 452458072 /nfs/dbraw/zinc/45/80/72/452458072.db2.gz HLJZEHVOTGBVNL-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652275901 452463498 /nfs/dbraw/zinc/46/34/98/452463498.db2.gz ZPCGSZURVQYEMW-CQSZACIVSA-N 2 2 331.395 1.717 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000654425329 452478360 /nfs/dbraw/zinc/47/83/60/452478360.db2.gz VBNIJWQDOPJAPM-PHIMTYICSA-N 2 2 333.358 1.585 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000654430009 452484766 /nfs/dbraw/zinc/48/47/66/452484766.db2.gz AWMMHRLEDDXBAX-HZMVEIRTSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000654430009 452484772 /nfs/dbraw/zinc/48/47/72/452484772.db2.gz AWMMHRLEDDXBAX-HZMVEIRTSA-N 2 2 338.496 1.412 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000654433089 452492078 /nfs/dbraw/zinc/49/20/78/452492078.db2.gz UFROKXVWTDZEKP-MRXNPFEDSA-N 2 2 339.528 1.138 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000657748325 452496137 /nfs/dbraw/zinc/49/61/37/452496137.db2.gz XKWSGSXPEIUGMH-QZTJIDSGSA-N 2 2 330.476 1.881 20 0 EDADLP CN(C)c1cc[nH+]cc1CN[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000657748325 452496142 /nfs/dbraw/zinc/49/61/42/452496142.db2.gz XKWSGSXPEIUGMH-QZTJIDSGSA-N 2 2 330.476 1.881 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](CCF)C1)[NH+]1CCOCC1 ZINC000661693382 452498028 /nfs/dbraw/zinc/49/80/28/452498028.db2.gz ODGLHKKUQRUEMN-OAHLLOKOSA-N 2 2 329.460 1.285 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652325825 452498481 /nfs/dbraw/zinc/49/84/81/452498481.db2.gz YXYCWYVLWBAHTC-NZSAHSFTSA-N 2 2 333.476 1.813 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652325825 452498487 /nfs/dbraw/zinc/49/84/87/452498487.db2.gz YXYCWYVLWBAHTC-NZSAHSFTSA-N 2 2 333.476 1.813 20 0 EDADLP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000652339674 452509827 /nfs/dbraw/zinc/50/98/27/452509827.db2.gz HQKFAWOIWUHQRL-KDOFPFPSSA-N 2 2 348.516 1.945 20 0 EDADLP COc1cccc([C@]2(C)CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000661708935 452511328 /nfs/dbraw/zinc/51/13/28/452511328.db2.gz KLYCCVVRCYUHSZ-LJQANCHMSA-N 2 2 331.460 1.433 20 0 EDADLP COc1cccc([C@]2(C)CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000661708935 452511337 /nfs/dbraw/zinc/51/13/37/452511337.db2.gz KLYCCVVRCYUHSZ-LJQANCHMSA-N 2 2 331.460 1.433 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)NCc1ccccc1 ZINC000655702181 452521508 /nfs/dbraw/zinc/52/15/08/452521508.db2.gz YVFXSLVQBREISQ-APWZRJJASA-N 2 2 345.487 1.924 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc3ncccc32)C[C@H]1C[NH3+] ZINC000652356554 452534205 /nfs/dbraw/zinc/53/42/05/452534205.db2.gz RWRWMTWANIYSSH-HBUWYVDXSA-N 2 2 342.443 1.857 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc3ncccc32)C[C@H]1C[NH3+] ZINC000652356554 452534212 /nfs/dbraw/zinc/53/42/12/452534212.db2.gz RWRWMTWANIYSSH-HBUWYVDXSA-N 2 2 342.443 1.857 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C)C[C@H]1C[NH3+] ZINC000652356991 452535259 /nfs/dbraw/zinc/53/52/59/452535259.db2.gz VJAVBTNFAGPVKX-ZIAGYGMSSA-N 2 2 325.478 1.907 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C)C[C@H]1C[NH3+] ZINC000652356991 452535267 /nfs/dbraw/zinc/53/52/67/452535267.db2.gz VJAVBTNFAGPVKX-ZIAGYGMSSA-N 2 2 325.478 1.907 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C[C@H]1C[NH3+] ZINC000652357223 452535532 /nfs/dbraw/zinc/53/55/32/452535532.db2.gz CHIFBLPYNATLLP-QGPMSJSTSA-N 2 2 331.460 1.650 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C[C@H]1C[NH3+] ZINC000652357223 452535540 /nfs/dbraw/zinc/53/55/40/452535540.db2.gz CHIFBLPYNATLLP-QGPMSJSTSA-N 2 2 331.460 1.650 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCN1c1ccccc1 ZINC000655724297 452536880 /nfs/dbraw/zinc/53/68/80/452536880.db2.gz TWNSBXVILZYGKY-ZWKOTPCHSA-N 2 2 329.444 1.635 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000652358235 452539984 /nfs/dbraw/zinc/53/99/84/452539984.db2.gz NHNAEWUVPOSSNH-XNRPHZJLSA-N 2 2 339.867 1.813 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000652358235 452539990 /nfs/dbraw/zinc/53/99/90/452539990.db2.gz NHNAEWUVPOSSNH-XNRPHZJLSA-N 2 2 339.867 1.813 20 0 EDADLP CC(=O)Nc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652362240 452544472 /nfs/dbraw/zinc/54/44/72/452544472.db2.gz AWVHECYZWJAZFS-BPLDGKMQSA-N 2 2 338.477 1.962 20 0 EDADLP CC(=O)Nc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652362240 452544477 /nfs/dbraw/zinc/54/44/77/452544477.db2.gz AWVHECYZWJAZFS-BPLDGKMQSA-N 2 2 338.477 1.962 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@H+](CCO)[C@@H](C)C3)c2cc1OC ZINC000663823517 452549225 /nfs/dbraw/zinc/54/92/25/452549225.db2.gz WAUVQUCXFWXPPG-ZDUSSCGKSA-N 2 2 331.416 1.755 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@@H+](CCO)[C@@H](C)C3)c2cc1OC ZINC000663823517 452549231 /nfs/dbraw/zinc/54/92/31/452549231.db2.gz WAUVQUCXFWXPPG-ZDUSSCGKSA-N 2 2 331.416 1.755 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@@H+]1C ZINC000650150921 452553485 /nfs/dbraw/zinc/55/34/85/452553485.db2.gz BNQJZOUWMOIPIA-MJQMVNBJSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@H+]1C ZINC000650150921 452553488 /nfs/dbraw/zinc/55/34/88/452553488.db2.gz BNQJZOUWMOIPIA-MJQMVNBJSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1C ZINC000650150921 452553495 /nfs/dbraw/zinc/55/34/95/452553495.db2.gz BNQJZOUWMOIPIA-MJQMVNBJSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1C ZINC000650150921 452553498 /nfs/dbraw/zinc/55/34/98/452553498.db2.gz BNQJZOUWMOIPIA-MJQMVNBJSA-N 2 2 345.487 1.827 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000647836243 452573192 /nfs/dbraw/zinc/57/31/92/452573192.db2.gz TXPNPNYCEDWKCL-UHFFFAOYSA-N 2 2 337.374 1.352 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000647836243 452573201 /nfs/dbraw/zinc/57/32/01/452573201.db2.gz TXPNPNYCEDWKCL-UHFFFAOYSA-N 2 2 337.374 1.352 20 0 EDADLP Cc1sc2[nH]c([C@H](C)[N@H+](C)CCN3CC[NH2+]CC3)nc(=O)c2c1C ZINC000647835423 452574425 /nfs/dbraw/zinc/57/44/25/452574425.db2.gz XTUUGTQIVMCCID-LBPRGKRZSA-N 2 2 349.504 1.912 20 0 EDADLP Cc1sc2[nH]c([C@H](C)[N@@H+](C)CCN3CC[NH2+]CC3)nc(=O)c2c1C ZINC000647835423 452574428 /nfs/dbraw/zinc/57/44/28/452574428.db2.gz XTUUGTQIVMCCID-LBPRGKRZSA-N 2 2 349.504 1.912 20 0 EDADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C(F)F ZINC000657918594 452611532 /nfs/dbraw/zinc/61/15/32/452611532.db2.gz FKGZRTCXMCRJAU-STQMWFEESA-N 2 2 333.423 1.189 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C(F)F ZINC000657918592 452611788 /nfs/dbraw/zinc/61/17/88/452611788.db2.gz FKGZRTCXMCRJAU-QWHCGFSZSA-N 2 2 333.423 1.189 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663891528 452614832 /nfs/dbraw/zinc/61/48/32/452614832.db2.gz DITOHVOYYYIFSA-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663891528 452614841 /nfs/dbraw/zinc/61/48/41/452614841.db2.gz DITOHVOYYYIFSA-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP CCCn1ncnc1CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000647918302 452656097 /nfs/dbraw/zinc/65/60/97/452656097.db2.gz OEUCGUKXGPEEKC-HNNXBMFYSA-N 2 2 343.479 1.566 20 0 EDADLP CC(C)[NH2+]C1(CO)CCN(c2nc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000663956967 452671685 /nfs/dbraw/zinc/67/16/85/452671685.db2.gz BGIZLWUMFPVSEK-UHFFFAOYSA-N 2 2 336.484 1.390 20 0 EDADLP CC(C)[NH2+]C1(CO)CCN(c2nc(N(C)C)nc(C(C)C)[nH+]2)CC1 ZINC000663956967 452671691 /nfs/dbraw/zinc/67/16/91/452671691.db2.gz BGIZLWUMFPVSEK-UHFFFAOYSA-N 2 2 336.484 1.390 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@@H]1[NH3+] ZINC000647937885 452680286 /nfs/dbraw/zinc/68/02/86/452680286.db2.gz DKKMYXYZIHUVRJ-GJZGRUSLSA-N 2 2 344.459 1.811 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@@H]1[NH3+] ZINC000647937885 452680291 /nfs/dbraw/zinc/68/02/91/452680291.db2.gz DKKMYXYZIHUVRJ-GJZGRUSLSA-N 2 2 344.459 1.811 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650994 452749196 /nfs/dbraw/zinc/74/91/96/452749196.db2.gz ROPXQCFJZCXWQT-MWDXBVQZSA-N 2 2 340.512 1.466 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650994 452749200 /nfs/dbraw/zinc/74/92/00/452749200.db2.gz ROPXQCFJZCXWQT-MWDXBVQZSA-N 2 2 340.512 1.466 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650994 452749207 /nfs/dbraw/zinc/74/92/07/452749207.db2.gz ROPXQCFJZCXWQT-MWDXBVQZSA-N 2 2 340.512 1.466 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650994 452749214 /nfs/dbraw/zinc/74/92/14/452749214.db2.gz ROPXQCFJZCXWQT-MWDXBVQZSA-N 2 2 340.512 1.466 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)cn21 ZINC000645760254 452763044 /nfs/dbraw/zinc/76/30/44/452763044.db2.gz JKNRRBRRTKTGAB-GASCZTMLSA-N 2 2 329.448 1.919 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)cn21 ZINC000645760254 452763052 /nfs/dbraw/zinc/76/30/52/452763052.db2.gz JKNRRBRRTKTGAB-GASCZTMLSA-N 2 2 329.448 1.919 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000664077651 452771088 /nfs/dbraw/zinc/77/10/88/452771088.db2.gz SMRJDMTUFCKOFD-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000664077651 452771094 /nfs/dbraw/zinc/77/10/94/452771094.db2.gz SMRJDMTUFCKOFD-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664077651 452771102 /nfs/dbraw/zinc/77/11/02/452771102.db2.gz SMRJDMTUFCKOFD-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664077651 452771111 /nfs/dbraw/zinc/77/11/11/452771111.db2.gz SMRJDMTUFCKOFD-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)OCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658185127 452777173 /nfs/dbraw/zinc/77/71/73/452777173.db2.gz MWPOPFPINIFLKM-UHFFFAOYSA-N 2 2 327.513 1.578 20 0 EDADLP CC(C)(C)OCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658185127 452777180 /nfs/dbraw/zinc/77/71/80/452777180.db2.gz MWPOPFPINIFLKM-UHFFFAOYSA-N 2 2 327.513 1.578 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc2c(c1)CCO2 ZINC000664121816 452803837 /nfs/dbraw/zinc/80/38/37/452803837.db2.gz GRNBTTJIDNAGPT-UHFFFAOYSA-N 2 2 348.491 1.347 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc2c(c1)CCO2 ZINC000664121816 452803845 /nfs/dbraw/zinc/80/38/45/452803845.db2.gz GRNBTTJIDNAGPT-UHFFFAOYSA-N 2 2 348.491 1.347 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)cc2[nH+]1 ZINC000658265886 452819851 /nfs/dbraw/zinc/81/98/51/452819851.db2.gz VYHLHFHLXYUQEI-CQSZACIVSA-N 2 2 343.431 1.570 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)cc2[nH+]1 ZINC000658265886 452819854 /nfs/dbraw/zinc/81/98/54/452819854.db2.gz VYHLHFHLXYUQEI-CQSZACIVSA-N 2 2 343.431 1.570 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000662076202 452823928 /nfs/dbraw/zinc/82/39/28/452823928.db2.gz XHFTYXMLQULTFE-KRWDZBQOSA-N 2 2 343.471 1.614 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC3(COC3)C2)CC1 ZINC000662076202 452823941 /nfs/dbraw/zinc/82/39/41/452823941.db2.gz XHFTYXMLQULTFE-KRWDZBQOSA-N 2 2 343.471 1.614 20 0 EDADLP c1nc(N2CC[NH+](CCC3CCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000659952436 452848276 /nfs/dbraw/zinc/84/82/76/452848276.db2.gz SOMXPTXIFGRXID-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000648201348 452906613 /nfs/dbraw/zinc/90/66/13/452906613.db2.gz IESTYXZSYHTZMP-MRXNPFEDSA-N 2 2 347.507 1.672 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)ccn12 ZINC000654775946 452907490 /nfs/dbraw/zinc/90/74/90/452907490.db2.gz ZKYGDRCJSDPVGY-MRXNPFEDSA-N 3 2 341.459 1.541 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)ccn12 ZINC000654775946 452907501 /nfs/dbraw/zinc/90/75/01/452907501.db2.gz ZKYGDRCJSDPVGY-MRXNPFEDSA-N 3 2 341.459 1.541 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H]3OCc4ccccc43)C2)CC1 ZINC000654775741 452908559 /nfs/dbraw/zinc/90/85/59/452908559.db2.gz SJCMQTXQPXHSGR-LPHOPBHVSA-N 2 2 343.471 1.933 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]3OCc4ccccc43)C2)CC1 ZINC000654775741 452908562 /nfs/dbraw/zinc/90/85/62/452908562.db2.gz SJCMQTXQPXHSGR-LPHOPBHVSA-N 2 2 343.471 1.933 20 0 EDADLP O[C@H]1CC[N@H+](Cc2ccc(CNc3nc[nH+]c4c3OCCN4)cc2)C1 ZINC000664236711 452913406 /nfs/dbraw/zinc/91/34/06/452913406.db2.gz MMAZKPZOWHVCBC-HNNXBMFYSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@H]1CC[N@@H+](Cc2ccc(CNc3nc[nH+]c4c3OCCN4)cc2)C1 ZINC000664236711 452913412 /nfs/dbraw/zinc/91/34/12/452913412.db2.gz MMAZKPZOWHVCBC-HNNXBMFYSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@H]1CC[N@H+](Cc2ccc(CNc3[nH+]cnc4c3OCCN4)cc2)C1 ZINC000664236711 452913421 /nfs/dbraw/zinc/91/34/21/452913421.db2.gz MMAZKPZOWHVCBC-HNNXBMFYSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@H]1CC[N@@H+](Cc2ccc(CNc3[nH+]cnc4c3OCCN4)cc2)C1 ZINC000664236711 452913428 /nfs/dbraw/zinc/91/34/28/452913428.db2.gz MMAZKPZOWHVCBC-HNNXBMFYSA-N 2 2 341.415 1.460 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCc2ccccc2)CC1 ZINC000660013148 452922827 /nfs/dbraw/zinc/92/28/27/452922827.db2.gz PCBUJBZZQLQMAN-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNc1nnc(C2CCOCC2)s1 ZINC000664244777 452924199 /nfs/dbraw/zinc/92/41/99/452924199.db2.gz KFDZTFNHGALBST-UHFFFAOYSA-N 2 2 327.498 1.728 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNc1nnc(C2CCOCC2)s1 ZINC000664244777 452924207 /nfs/dbraw/zinc/92/42/07/452924207.db2.gz KFDZTFNHGALBST-UHFFFAOYSA-N 2 2 327.498 1.728 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000660075758 452990848 /nfs/dbraw/zinc/99/08/48/452990848.db2.gz CAHARAVTFPGKGD-UHFFFAOYSA-N 2 2 344.463 1.110 20 0 EDADLP C[C@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccccc1Cl ZINC000662285411 453010431 /nfs/dbraw/zinc/01/04/31/453010431.db2.gz HDXFEYQTUHIVIP-LBPRGKRZSA-N 2 2 325.840 1.221 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)ccn12 ZINC000654906322 453027483 /nfs/dbraw/zinc/02/74/83/453027483.db2.gz KZMLZURILKTOIT-QGZVFWFLSA-N 2 2 342.443 1.970 20 0 EDADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C[NH3+])C1 ZINC000662315433 453032853 /nfs/dbraw/zinc/03/28/53/453032853.db2.gz PBGRAADZMQTVRP-SJORKVTESA-N 3 2 345.491 1.180 20 0 EDADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C[NH3+])C1 ZINC000662315433 453032856 /nfs/dbraw/zinc/03/28/56/453032856.db2.gz PBGRAADZMQTVRP-SJORKVTESA-N 3 2 345.491 1.180 20 0 EDADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)[C@H](C[NH3+])C1 ZINC000662315433 453032861 /nfs/dbraw/zinc/03/28/61/453032861.db2.gz PBGRAADZMQTVRP-SJORKVTESA-N 2 2 345.491 1.180 20 0 EDADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)[C@H](C[NH3+])C1 ZINC000662315433 453032865 /nfs/dbraw/zinc/03/28/65/453032865.db2.gz PBGRAADZMQTVRP-SJORKVTESA-N 2 2 345.491 1.180 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000654924271 453037892 /nfs/dbraw/zinc/03/78/92/453037892.db2.gz PMRZIVFIVKGUAJ-XOKHGSTOSA-N 2 2 334.464 1.472 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000654924271 453037905 /nfs/dbraw/zinc/03/79/05/453037905.db2.gz PMRZIVFIVKGUAJ-XOKHGSTOSA-N 2 2 334.464 1.472 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3nnn(CC[C@@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000644167259 453098145 /nfs/dbraw/zinc/09/81/45/453098145.db2.gz PJWSLNZBLDGSAA-DOTOQJQBSA-N 2 2 342.447 1.246 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3nnn(CC[C@@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000644167259 453098151 /nfs/dbraw/zinc/09/81/51/453098151.db2.gz PJWSLNZBLDGSAA-DOTOQJQBSA-N 2 2 342.447 1.246 20 0 EDADLP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102689 453104241 /nfs/dbraw/zinc/10/42/41/453104241.db2.gz NYNIAHYAZUHNGB-UHFFFAOYSA-N 2 2 349.450 1.581 20 0 EDADLP CN(Cc1ccccc1F)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102689 453104247 /nfs/dbraw/zinc/10/42/47/453104247.db2.gz NYNIAHYAZUHNGB-UHFFFAOYSA-N 2 2 349.450 1.581 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662407345 453118938 /nfs/dbraw/zinc/11/89/38/453118938.db2.gz YYXOXSJPMAIILD-CQSZACIVSA-N 2 2 336.399 1.602 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662428353 453135460 /nfs/dbraw/zinc/13/54/60/453135460.db2.gz YIGAOQLIFVHNLK-ZDUSSCGKSA-N 2 2 337.221 1.770 20 0 EDADLP Cc1ccncc1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537014 453176983 /nfs/dbraw/zinc/17/69/83/453176983.db2.gz CQQWQLSCCGFDQT-UHFFFAOYSA-N 2 2 333.480 1.258 20 0 EDADLP CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058495 453235112 /nfs/dbraw/zinc/23/51/12/453235112.db2.gz WFGDFCNEWZWTKQ-CYBMUJFWSA-N 2 2 342.390 1.031 20 0 EDADLP COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653072396 453250987 /nfs/dbraw/zinc/25/09/87/453250987.db2.gz PXNPRMBCPUJKMO-IRXDYDNUSA-N 2 2 349.475 1.482 20 0 EDADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nc(-c2ccccc2)c[nH]1 ZINC000653078867 453257992 /nfs/dbraw/zinc/25/79/92/453257992.db2.gz LXSWAQIHQGIUCL-GJZGRUSLSA-N 2 2 329.448 1.923 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000662543302 453269442 /nfs/dbraw/zinc/26/94/42/453269442.db2.gz XNRYMMANXVYVAJ-INIZCTEOSA-N 2 2 339.867 1.567 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000662543302 453269451 /nfs/dbraw/zinc/26/94/51/453269451.db2.gz XNRYMMANXVYVAJ-INIZCTEOSA-N 2 2 339.867 1.567 20 0 EDADLP CC(C)OC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000656560429 453279844 /nfs/dbraw/zinc/27/98/44/453279844.db2.gz XMSJTGGGDDBBGF-INIZCTEOSA-N 2 2 346.431 1.994 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000653106917 453290019 /nfs/dbraw/zinc/29/00/19/453290019.db2.gz QJTARLQWOFPUBV-GOSISDBHSA-N 3 2 332.492 1.568 20 0 EDADLP Cn1ccnc1[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(F)cc1 ZINC000653106841 453290090 /nfs/dbraw/zinc/29/00/90/453290090.db2.gz NXLWFKDPRUWPMU-CABCVRRESA-N 2 2 333.411 1.044 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000653108277 453291792 /nfs/dbraw/zinc/29/17/92/453291792.db2.gz QEQAOWOVLSMHLN-SFHVURJKSA-N 3 2 332.492 1.089 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000651131010 453300932 /nfs/dbraw/zinc/30/09/32/453300932.db2.gz DJABMYZBSOVACY-QGZVFWFLSA-N 2 2 341.459 1.971 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000651131010 453300939 /nfs/dbraw/zinc/30/09/39/453300939.db2.gz DJABMYZBSOVACY-QGZVFWFLSA-N 2 2 341.459 1.971 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)s1 ZINC000653116813 453305652 /nfs/dbraw/zinc/30/56/52/453305652.db2.gz UXHKLVQHDAAAKX-MRXNPFEDSA-N 2 2 338.521 1.234 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C(C)C ZINC000660470950 453332741 /nfs/dbraw/zinc/33/27/41/453332741.db2.gz ZKVFUYDGHAOKHW-KRWDZBQOSA-N 2 2 325.497 1.819 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C(C)C ZINC000660470950 453332747 /nfs/dbraw/zinc/33/27/47/453332747.db2.gz ZKVFUYDGHAOKHW-KRWDZBQOSA-N 2 2 325.497 1.819 20 0 EDADLP CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664708881 453336568 /nfs/dbraw/zinc/33/65/68/453336568.db2.gz OMLBFBPCYRTXSZ-DLBZAZTESA-N 2 2 342.528 1.763 20 0 EDADLP CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664708881 453336577 /nfs/dbraw/zinc/33/65/77/453336577.db2.gz OMLBFBPCYRTXSZ-DLBZAZTESA-N 2 2 342.528 1.763 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000658738345 453338827 /nfs/dbraw/zinc/33/88/27/453338827.db2.gz YEXMASJOKZXJLI-GJZGRUSLSA-N 2 2 347.463 1.105 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000653155172 453345224 /nfs/dbraw/zinc/34/52/24/453345224.db2.gz KOJLBYXNVLNNLF-ABAIWWIYSA-N 2 2 342.846 1.453 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)[C@H](C)CO1 ZINC000662631129 453347785 /nfs/dbraw/zinc/34/77/85/453347785.db2.gz PJPZRACJWHOOLB-CPUCHLNUSA-N 2 2 344.459 1.263 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)[C@H](C)CO1 ZINC000662631129 453347789 /nfs/dbraw/zinc/34/77/89/453347789.db2.gz PJPZRACJWHOOLB-CPUCHLNUSA-N 2 2 344.459 1.263 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c2[nH+]ccn21 ZINC000653174107 453364049 /nfs/dbraw/zinc/36/40/49/453364049.db2.gz ZKFPWHOXGMFIBV-DZGCQCFKSA-N 2 2 326.404 1.816 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000648892435 453367616 /nfs/dbraw/zinc/36/76/16/453367616.db2.gz DNXPJRVWBWAJLE-IRXDYDNUSA-N 2 2 348.491 1.967 20 0 EDADLP CC(C)(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000662656784 453369710 /nfs/dbraw/zinc/36/97/10/453369710.db2.gz SUEIQVBYFIKPMF-IAGOWNOFSA-N 2 2 331.460 1.646 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H]1CCOC1 ZINC000656705792 453382208 /nfs/dbraw/zinc/38/22/08/453382208.db2.gz UJVYZAJQZPSZGA-GPMSIDNRSA-N 2 2 347.459 1.655 20 0 EDADLP CO[C@H](C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H]1CCOC1 ZINC000656705793 453382870 /nfs/dbraw/zinc/38/28/70/453382870.db2.gz UJVYZAJQZPSZGA-JTDSTZFVSA-N 2 2 347.459 1.655 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)c2[nH+]ccn2C)c1 ZINC000662669900 453384961 /nfs/dbraw/zinc/38/49/61/453384961.db2.gz GZXAAKAROOWLBS-XEZPLFJOSA-N 2 2 344.415 1.380 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H](C)CO1 ZINC000664760697 453385533 /nfs/dbraw/zinc/38/55/33/453385533.db2.gz ZLYWDJPDGXMWEO-INMHGKMJSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H](C)CO1 ZINC000664760697 453385549 /nfs/dbraw/zinc/38/55/49/453385549.db2.gz ZLYWDJPDGXMWEO-INMHGKMJSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H](C)CO1 ZINC000664760697 453385560 /nfs/dbraw/zinc/38/55/60/453385560.db2.gz ZLYWDJPDGXMWEO-INMHGKMJSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[C@H](C)CO1 ZINC000664760697 453385567 /nfs/dbraw/zinc/38/55/67/453385567.db2.gz ZLYWDJPDGXMWEO-INMHGKMJSA-N 2 2 338.496 1.412 20 0 EDADLP COCC[NH+]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662671792 453387319 /nfs/dbraw/zinc/38/73/19/453387319.db2.gz XDPGDDUEBDHNMK-KRWDZBQOSA-N 2 2 331.460 1.469 20 0 EDADLP C[C@H](c1cccc(NC(=O)N2CCC[NH2+]CC2)c1)[NH+]1CCOCC1 ZINC000667075548 453389190 /nfs/dbraw/zinc/38/91/90/453389190.db2.gz AXQKUPWVGUAXDV-OAHLLOKOSA-N 2 2 332.448 1.907 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651263923 453406712 /nfs/dbraw/zinc/40/67/12/453406712.db2.gz TZCXVZNJGTZHJK-INIZCTEOSA-N 2 2 334.464 1.331 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC(C)(C)F)CC2)CC1 ZINC000660573905 453413094 /nfs/dbraw/zinc/41/30/94/453413094.db2.gz LETPAEVJIPBICC-UHFFFAOYSA-N 2 2 328.476 1.982 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662744163 453471646 /nfs/dbraw/zinc/47/16/46/453471646.db2.gz OGKONWGUDNMKOQ-DLBZAZTESA-N 2 2 346.475 1.510 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646583777 453487916 /nfs/dbraw/zinc/48/79/16/453487916.db2.gz GOTGWHFFUJHGQJ-GOSISDBHSA-N 2 2 331.460 1.314 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657454 453493494 /nfs/dbraw/zinc/49/34/94/453493494.db2.gz QFVDJBIVFRRHJH-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657454 453493501 /nfs/dbraw/zinc/49/35/01/453493501.db2.gz QFVDJBIVFRRHJH-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657454 453493509 /nfs/dbraw/zinc/49/35/09/453493509.db2.gz QFVDJBIVFRRHJH-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657454 453493517 /nfs/dbraw/zinc/49/35/17/453493517.db2.gz QFVDJBIVFRRHJH-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP C[NH+]1CCC(CNC(=O)C2([NH2+]C3CC3)CCC2)([NH+]2CCCCC2)CC1 ZINC000662758094 453496970 /nfs/dbraw/zinc/49/69/70/453496970.db2.gz REVRTAACJRUBSB-UHFFFAOYSA-N 3 2 348.535 1.728 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674584 453505075 /nfs/dbraw/zinc/50/50/75/453505075.db2.gz RPFHORFDKWZRFY-MRXNPFEDSA-N 2 2 333.476 1.782 20 0 EDADLP [NH3+]Cc1nc(-c2ccc(NC(=O)C3([NH3+])CC4(CCC4)C3)cc2)n[nH]1 ZINC000662771748 453508594 /nfs/dbraw/zinc/50/85/94/453508594.db2.gz JHXQDXYNWSHAEC-UHFFFAOYSA-N 2 2 326.404 1.531 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662790145 453524256 /nfs/dbraw/zinc/52/42/56/453524256.db2.gz LUDVHCWUCXZSGC-MRXNPFEDSA-N 2 2 340.418 1.061 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662790145 453524261 /nfs/dbraw/zinc/52/42/61/453524261.db2.gz LUDVHCWUCXZSGC-MRXNPFEDSA-N 2 2 340.418 1.061 20 0 EDADLP Cc1cc(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc(C)[nH+]1 ZINC000662817582 453549188 /nfs/dbraw/zinc/54/91/88/453549188.db2.gz JXNPYEXQLXVAQH-HNNXBMFYSA-N 2 2 328.420 1.535 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c[nH+]1 ZINC000665062048 453561921 /nfs/dbraw/zinc/56/19/21/453561921.db2.gz ADKTVCFSGSFALI-QGZVFWFLSA-N 2 2 332.448 1.439 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c[nH+]1 ZINC000665062048 453561926 /nfs/dbraw/zinc/56/19/26/453561926.db2.gz ADKTVCFSGSFALI-QGZVFWFLSA-N 2 2 332.448 1.439 20 0 EDADLP [NH3+]Cc1ccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000659022897 453585301 /nfs/dbraw/zinc/58/53/01/453585301.db2.gz XMLWYESRYHKBTC-UHFFFAOYSA-N 2 2 332.448 1.721 20 0 EDADLP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900532 453593706 /nfs/dbraw/zinc/59/37/06/453593706.db2.gz NCKGAZIYTGDZTM-IBGZPJMESA-N 3 2 342.487 1.530 20 0 EDADLP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900532 453593709 /nfs/dbraw/zinc/59/37/09/453593709.db2.gz NCKGAZIYTGDZTM-IBGZPJMESA-N 3 2 342.487 1.530 20 0 EDADLP [NH3+]CCc1ccccc1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910288 453598869 /nfs/dbraw/zinc/59/88/69/453598869.db2.gz NDCFFMSSCQPIGG-UHFFFAOYSA-N 2 2 331.460 1.372 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(=O)N(C)C)cc1F ZINC000665258908 453628096 /nfs/dbraw/zinc/62/80/96/453628096.db2.gz OXGWLGKLCRQJPN-INWMFGNUSA-N 2 2 337.439 1.736 20 0 EDADLP CC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H]1CCCCO1 ZINC000665270428 453631035 /nfs/dbraw/zinc/63/10/35/453631035.db2.gz XYYRVCYAAQQVGY-JKSUJKDBSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)[C@H](C)CO1 ZINC000665355426 453663385 /nfs/dbraw/zinc/66/33/85/453663385.db2.gz UHTHCHJIIKHULA-KFWWJZLASA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)[C@H](C)CO1 ZINC000665355426 453663388 /nfs/dbraw/zinc/66/33/88/453663388.db2.gz UHTHCHJIIKHULA-KFWWJZLASA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)[C@H](C)CO1 ZINC000665355426 453663392 /nfs/dbraw/zinc/66/33/92/453663392.db2.gz UHTHCHJIIKHULA-KFWWJZLASA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)[C@H](C)CO1 ZINC000665355426 453663393 /nfs/dbraw/zinc/66/33/93/453663393.db2.gz UHTHCHJIIKHULA-KFWWJZLASA-N 2 2 326.485 1.268 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cc(F)cc(F)c1 ZINC000657093261 453677029 /nfs/dbraw/zinc/67/70/29/453677029.db2.gz UGRCOQDNJBWFBL-UHFFFAOYSA-N 2 2 335.420 1.127 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cc(F)cc(F)c1 ZINC000657093261 453677030 /nfs/dbraw/zinc/67/70/30/453677030.db2.gz UGRCOQDNJBWFBL-UHFFFAOYSA-N 2 2 335.420 1.127 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C3([NH3+])CC4(CCC4)C3)c[nH+]2)CCO1 ZINC000659287374 453702013 /nfs/dbraw/zinc/70/20/13/453702013.db2.gz GNCMVABBDOFHPI-AWEZNQCLSA-N 2 2 344.459 1.585 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665554452 453746558 /nfs/dbraw/zinc/74/65/58/453746558.db2.gz MHHKQHMPFZNGGS-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665554452 453746563 /nfs/dbraw/zinc/74/65/63/453746563.db2.gz MHHKQHMPFZNGGS-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663303049 453762861 /nfs/dbraw/zinc/76/28/61/453762861.db2.gz CGAXOIBFGBLVOE-IAGOWNOFSA-N 2 2 335.423 1.065 20 0 EDADLP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000663403795 453790519 /nfs/dbraw/zinc/79/05/19/453790519.db2.gz POJUJFRSFPXXPR-GOSISDBHSA-N 2 2 346.475 1.282 20 0 EDADLP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000663403795 453790521 /nfs/dbraw/zinc/79/05/21/453790521.db2.gz POJUJFRSFPXXPR-GOSISDBHSA-N 2 2 346.475 1.282 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000671623766 486681549 /nfs/dbraw/zinc/68/15/49/486681549.db2.gz VCFHCENOMZEEIT-SNPRPXQTSA-N 2 2 325.416 1.555 20 0 EDADLP CN(C)c1ccc(CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)c[nH+]1 ZINC000435347017 486699710 /nfs/dbraw/zinc/69/97/10/486699710.db2.gz WQUZPTRKWTUARH-AWEZNQCLSA-N 2 2 328.420 2.141 20 0 EDADLP Nc1[nH+]cnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1Cl ZINC000683393032 486706315 /nfs/dbraw/zinc/70/63/15/486706315.db2.gz WTSSUIBAYTUOKR-GFCCVEGCSA-N 2 2 325.844 1.793 20 0 EDADLP Nc1nc[nH+]c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1Cl ZINC000683393032 486706319 /nfs/dbraw/zinc/70/63/19/486706319.db2.gz WTSSUIBAYTUOKR-GFCCVEGCSA-N 2 2 325.844 1.793 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000676287475 486721074 /nfs/dbraw/zinc/72/10/74/486721074.db2.gz SOGAMFFHJFQCCU-CGTJXYLNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000676287475 486721081 /nfs/dbraw/zinc/72/10/81/486721081.db2.gz SOGAMFFHJFQCCU-CGTJXYLNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000676287475 486721087 /nfs/dbraw/zinc/72/10/87/486721087.db2.gz SOGAMFFHJFQCCU-CGTJXYLNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676287475 486721094 /nfs/dbraw/zinc/72/10/94/486721094.db2.gz SOGAMFFHJFQCCU-CGTJXYLNSA-N 2 2 331.460 1.486 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000680580487 486818121 /nfs/dbraw/zinc/81/81/21/486818121.db2.gz CCNFZIKYHRGFSN-SFHVURJKSA-N 2 2 345.491 1.422 20 0 EDADLP Cn1cc(C[NH+]2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)cn1 ZINC000667589117 486861040 /nfs/dbraw/zinc/86/10/40/486861040.db2.gz ONKPMSCEKSRJCK-UHFFFAOYSA-N 2 2 337.431 1.319 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000683943600 486875608 /nfs/dbraw/zinc/87/56/08/486875608.db2.gz GKNOXSJBXAMMKR-MRXNPFEDSA-N 2 2 348.472 1.971 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)s1 ZINC000676839568 486899534 /nfs/dbraw/zinc/89/95/34/486899534.db2.gz NYNVBMREGBNDJN-XJKSGUPXSA-N 2 2 338.521 1.817 20 0 EDADLP C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000681139412 486949276 /nfs/dbraw/zinc/94/92/76/486949276.db2.gz UGFRPUPOXNISOR-YOEHRIQHSA-N 2 2 339.505 1.691 20 0 EDADLP c1cc2n(n1)C[C@H](C[N@@H+]1CC[C@@H](n3c[nH+]c4c3CCCC4)C1)CN2 ZINC000684196652 486981291 /nfs/dbraw/zinc/98/12/91/486981291.db2.gz AZQHUIFOJRJLKA-LSDHHAIUSA-N 2 2 326.448 1.947 20 0 EDADLP c1cc2n(n1)C[C@H](C[N@H+]1CC[C@@H](n3c[nH+]c4c3CCCC4)C1)CN2 ZINC000684196652 486981296 /nfs/dbraw/zinc/98/12/96/486981296.db2.gz AZQHUIFOJRJLKA-LSDHHAIUSA-N 2 2 326.448 1.947 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@@H]1C ZINC000677216230 487011154 /nfs/dbraw/zinc/01/11/54/487011154.db2.gz DKRYLEGOOVPCED-QFBILLFUSA-N 2 2 345.487 1.737 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@@H]1C ZINC000677216230 487011157 /nfs/dbraw/zinc/01/11/57/487011157.db2.gz DKRYLEGOOVPCED-QFBILLFUSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cn1 ZINC000681389734 487031771 /nfs/dbraw/zinc/03/17/71/487031771.db2.gz KPPPPHPTNZTWOP-GDBMZVCRSA-N 2 2 338.883 1.792 20 0 EDADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673524102 487047036 /nfs/dbraw/zinc/04/70/36/487047036.db2.gz PHCYUWITSGQRFW-SJORKVTESA-N 2 2 337.439 1.219 20 0 EDADLP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000673524102 487047039 /nfs/dbraw/zinc/04/70/39/487047039.db2.gz PHCYUWITSGQRFW-SJORKVTESA-N 2 2 337.439 1.219 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000668077582 487091484 /nfs/dbraw/zinc/09/14/84/487091484.db2.gz RLIXZXHJGBFXBF-OAHLLOKOSA-N 2 2 342.443 1.771 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000668077582 487091489 /nfs/dbraw/zinc/09/14/89/487091489.db2.gz RLIXZXHJGBFXBF-OAHLLOKOSA-N 2 2 342.443 1.771 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000673668981 487084569 /nfs/dbraw/zinc/08/45/69/487084569.db2.gz KRVJZADCIGZFIK-AWEZNQCLSA-N 2 2 332.448 1.302 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000673668981 487084574 /nfs/dbraw/zinc/08/45/74/487084574.db2.gz KRVJZADCIGZFIK-AWEZNQCLSA-N 2 2 332.448 1.302 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000677729965 487159967 /nfs/dbraw/zinc/15/99/67/487159967.db2.gz HPIRZXYPZUJBJF-UONOGXRCSA-N 2 2 338.402 1.706 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677729965 487159970 /nfs/dbraw/zinc/15/99/70/487159970.db2.gz HPIRZXYPZUJBJF-UONOGXRCSA-N 2 2 338.402 1.706 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000677839007 487179403 /nfs/dbraw/zinc/17/94/03/487179403.db2.gz ZEIOQCXBHPUHNL-UHFFFAOYSA-N 2 2 328.416 1.869 20 0 EDADLP COC1CC[NH+](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000674310447 487233446 /nfs/dbraw/zinc/23/34/46/487233446.db2.gz HHGYJCUXCWGCSA-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP COC1CC[NH+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000674327760 487237390 /nfs/dbraw/zinc/23/73/90/487237390.db2.gz PCPRNTMELDJNAX-UHFFFAOYSA-N 2 2 346.475 1.412 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000674373397 487247893 /nfs/dbraw/zinc/24/78/93/487247893.db2.gz FBJSZLXLCLBWSH-PMPSAXMXSA-N 2 2 348.443 1.714 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000674373397 487247896 /nfs/dbraw/zinc/24/78/96/487247896.db2.gz FBJSZLXLCLBWSH-PMPSAXMXSA-N 2 2 348.443 1.714 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000674373397 487247899 /nfs/dbraw/zinc/24/78/99/487247899.db2.gz FBJSZLXLCLBWSH-PMPSAXMXSA-N 2 2 348.443 1.714 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000674373397 487247900 /nfs/dbraw/zinc/24/79/00/487247900.db2.gz FBJSZLXLCLBWSH-PMPSAXMXSA-N 2 2 348.443 1.714 20 0 EDADLP CCN1C[C@H](C[N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)Oc2ccccc21 ZINC000685560915 487296219 /nfs/dbraw/zinc/29/62/19/487296219.db2.gz LFJCSNDPQVIDGI-SJORKVTESA-N 2 2 333.476 1.661 20 0 EDADLP CCN1C[C@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)Oc2ccccc21 ZINC000685560915 487296221 /nfs/dbraw/zinc/29/62/21/487296221.db2.gz LFJCSNDPQVIDGI-SJORKVTESA-N 2 2 333.476 1.661 20 0 EDADLP CCN1C[C@H](C[NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)Oc2ccccc21 ZINC000685560915 487296224 /nfs/dbraw/zinc/29/62/24/487296224.db2.gz LFJCSNDPQVIDGI-SJORKVTESA-N 2 2 333.476 1.661 20 0 EDADLP CCN1C[C@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)Oc2ccccc21 ZINC000685560915 487296226 /nfs/dbraw/zinc/29/62/26/487296226.db2.gz LFJCSNDPQVIDGI-SJORKVTESA-N 2 2 333.476 1.661 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3snnc3C3CC3)C2)CC1 ZINC000685734404 487316413 /nfs/dbraw/zinc/31/64/13/487316413.db2.gz QLXQFOVRUUELMQ-LBPRGKRZSA-N 2 2 335.477 1.314 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3snnc3C3CC3)C2)CC1 ZINC000685734404 487316418 /nfs/dbraw/zinc/31/64/18/487316418.db2.gz QLXQFOVRUUELMQ-LBPRGKRZSA-N 2 2 335.477 1.314 20 0 EDADLP C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000678581924 487339181 /nfs/dbraw/zinc/33/91/81/487339181.db2.gz FEVOYUZEIQLOIN-OAHLLOKOSA-N 2 2 348.472 1.949 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000682455962 487367620 /nfs/dbraw/zinc/36/76/20/487367620.db2.gz KORDIWLJGPIKKA-UHFFFAOYSA-N 2 2 342.443 1.762 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682474271 487371737 /nfs/dbraw/zinc/37/17/37/487371737.db2.gz YZZRBXGHTVJVLO-AWEZNQCLSA-N 3 2 340.431 1.231 20 0 EDADLP O=C(C[NH2+]C1(CO)CCCCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000678971971 487383614 /nfs/dbraw/zinc/38/36/14/487383614.db2.gz DBPFFFJFXZACHW-UHFFFAOYSA-N 2 2 335.448 1.209 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000679063171 487389832 /nfs/dbraw/zinc/38/98/32/487389832.db2.gz DVYOERZIVCYKDA-CXAGYDPISA-N 2 2 331.464 1.378 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC000675236174 487391979 /nfs/dbraw/zinc/39/19/79/487391979.db2.gz XVKOVFOSTIKBOL-CQSZACIVSA-N 2 2 331.420 1.727 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC000675236174 487391980 /nfs/dbraw/zinc/39/19/80/487391980.db2.gz XVKOVFOSTIKBOL-CQSZACIVSA-N 2 2 331.420 1.727 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000679313030 487411685 /nfs/dbraw/zinc/41/16/85/487411685.db2.gz MAZYAQNGERNPBH-MRXNPFEDSA-N 2 2 341.415 1.250 20 0 EDADLP Clc1sccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000682941709 487433452 /nfs/dbraw/zinc/43/34/52/487433452.db2.gz BKFWZRPPTOQLHX-CQSZACIVSA-N 2 2 329.897 1.898 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000675782258 487443686 /nfs/dbraw/zinc/44/36/86/487443686.db2.gz PKPWKHWDZQEJDW-INIZCTEOSA-N 3 2 348.491 1.052 20 0 EDADLP Cc1c([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000675782699 487443796 /nfs/dbraw/zinc/44/37/96/487443796.db2.gz WWHPDEDQWDWLOK-AWEZNQCLSA-N 2 2 342.447 1.000 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000675837579 487449742 /nfs/dbraw/zinc/44/97/42/487449742.db2.gz AAZQWPUFURCJAP-LMMKCTJWSA-N 2 2 333.476 1.935 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC[C@@H]1CCOC1 ZINC000675837579 487449745 /nfs/dbraw/zinc/44/97/45/487449745.db2.gz AAZQWPUFURCJAP-LMMKCTJWSA-N 2 2 333.476 1.935 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000668309691 485588162 /nfs/dbraw/zinc/58/81/62/485588162.db2.gz CDDJJQQHZGJHBU-QGZVFWFLSA-N 2 2 344.459 1.968 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000574888494 485735362 /nfs/dbraw/zinc/73/53/62/485735362.db2.gz YZAYCABMVLNYCS-ADKAHSJRSA-N 2 2 342.524 1.985 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000574888494 485735372 /nfs/dbraw/zinc/73/53/72/485735372.db2.gz YZAYCABMVLNYCS-ADKAHSJRSA-N 2 2 342.524 1.985 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668437101 485751240 /nfs/dbraw/zinc/75/12/40/485751240.db2.gz XRYKIVVTSULBEY-ZDUSSCGKSA-N 2 2 334.464 1.520 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668437101 485751247 /nfs/dbraw/zinc/75/12/47/485751247.db2.gz XRYKIVVTSULBEY-ZDUSSCGKSA-N 2 2 334.464 1.520 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3onc4c3CCCC4)C2)CC1 ZINC000668638888 485981399 /nfs/dbraw/zinc/98/13/99/485981399.db2.gz CETYAXSIYVPPJW-ZDUSSCGKSA-N 2 2 332.448 1.452 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3onc4c3CCCC4)C2)CC1 ZINC000668638888 485981406 /nfs/dbraw/zinc/98/14/06/485981406.db2.gz CETYAXSIYVPPJW-ZDUSSCGKSA-N 2 2 332.448 1.452 20 0 EDADLP C[C@H](C(=O)NCC[NH2+]C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237442956 485983473 /nfs/dbraw/zinc/98/34/73/485983473.db2.gz BZNWOYKTWFFCDL-CQSZACIVSA-N 2 2 334.439 1.204 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000237662106 485995507 /nfs/dbraw/zinc/99/55/07/485995507.db2.gz SJBKVOUPRZXZBA-CLWVCHIJSA-N 2 2 332.448 1.439 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1OCC[NH+](C)C ZINC000279365158 486070885 /nfs/dbraw/zinc/07/08/85/486070885.db2.gz SBYRIBWJTNCZFJ-INIZCTEOSA-N 2 2 349.475 1.420 20 0 EDADLP [NH3+]Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000323949858 486193789 /nfs/dbraw/zinc/19/37/89/486193789.db2.gz NQXXOVNREPVYFP-UHFFFAOYSA-N 2 2 325.416 1.301 20 0 EDADLP COCCOc1ccccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668793660 486203864 /nfs/dbraw/zinc/20/38/64/486203864.db2.gz JUHQBSVURXSOCY-UHFFFAOYSA-N 2 2 330.432 1.768 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)[nH+]c12 ZINC000669511739 486294618 /nfs/dbraw/zinc/29/46/18/486294618.db2.gz CHAANTDKWWWWAP-UKRRQHHQSA-N 2 2 329.448 1.812 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000668922116 486349090 /nfs/dbraw/zinc/34/90/90/486349090.db2.gz OWFJHASAHACHNB-HZPDHXFCSA-N 2 2 332.448 1.094 20 0 EDADLP CCS(=O)(=O)NCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090171606 491199495 /nfs/dbraw/zinc/19/94/95/491199495.db2.gz GTBCZPQAKXVRJM-MRXNPFEDSA-N 2 2 339.505 1.568 20 0 EDADLP CCS(=O)(=O)NCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090171606 491199497 /nfs/dbraw/zinc/19/94/97/491199497.db2.gz GTBCZPQAKXVRJM-MRXNPFEDSA-N 2 2 339.505 1.568 20 0 EDADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000415359033 490996511 /nfs/dbraw/zinc/99/65/11/490996511.db2.gz VNHOJSJNAALRGV-ZDUSSCGKSA-N 2 2 340.383 1.620 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564452264 490999134 /nfs/dbraw/zinc/99/91/34/490999134.db2.gz DLALAHZLOLVLPC-SCLBCKFNSA-N 2 2 348.422 1.938 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564452264 490999136 /nfs/dbraw/zinc/99/91/36/490999136.db2.gz DLALAHZLOLVLPC-SCLBCKFNSA-N 2 2 348.422 1.938 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000304721278 491005709 /nfs/dbraw/zinc/00/57/09/491005709.db2.gz OQXVJBJOHWOYFR-NUJGCVRESA-N 2 2 327.513 1.263 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000304721278 491005710 /nfs/dbraw/zinc/00/57/10/491005710.db2.gz OQXVJBJOHWOYFR-NUJGCVRESA-N 2 2 327.513 1.263 20 0 EDADLP CCC[NH+]1CCC(N(C)C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000304721278 491005711 /nfs/dbraw/zinc/00/57/11/491005711.db2.gz OQXVJBJOHWOYFR-NUJGCVRESA-N 2 2 327.513 1.263 20 0 EDADLP CCOC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180785349 500703973 /nfs/dbraw/zinc/70/39/73/500703973.db2.gz JZUGYQBAUGFKTL-JKSUJKDBSA-N 2 2 349.479 1.297 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000236687958 534934562 /nfs/dbraw/zinc/93/45/62/534934562.db2.gz VQMRAAZDFXFRMG-AWEZNQCLSA-N 2 2 334.464 1.688 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000339612071 535189066 /nfs/dbraw/zinc/18/90/66/535189066.db2.gz NADPLCLOCJCICW-QGZVFWFLSA-N 2 2 338.496 1.080 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000353422347 535290029 /nfs/dbraw/zinc/29/00/29/535290029.db2.gz BIWBRISJJKLTLT-MSOLQXFVSA-N 3 2 336.524 1.295 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261605343 535296733 /nfs/dbraw/zinc/29/67/33/535296733.db2.gz RIIJRBMVEKQWFU-QZTJIDSGSA-N 2 2 345.487 1.782 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261605343 535296736 /nfs/dbraw/zinc/29/67/36/535296736.db2.gz RIIJRBMVEKQWFU-QZTJIDSGSA-N 2 2 345.487 1.782 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H](C)CO)CC2)cc1 ZINC000131918534 535371358 /nfs/dbraw/zinc/37/13/58/535371358.db2.gz JRBLQJNCSHMCBE-QGZVFWFLSA-N 2 2 347.503 1.767 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H](C)CO)CC2)cc1 ZINC000131918534 535371359 /nfs/dbraw/zinc/37/13/59/535371359.db2.gz JRBLQJNCSHMCBE-QGZVFWFLSA-N 2 2 347.503 1.767 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859138 535644376 /nfs/dbraw/zinc/64/43/76/535644376.db2.gz IYCCTTRPQDVDJU-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859138 535644382 /nfs/dbraw/zinc/64/43/82/535644382.db2.gz IYCCTTRPQDVDJU-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236939266 535692482 /nfs/dbraw/zinc/69/24/82/535692482.db2.gz XIMCLWBARPZGEE-IBGZPJMESA-N 2 2 344.503 1.235 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236939266 535692489 /nfs/dbraw/zinc/69/24/89/535692489.db2.gz XIMCLWBARPZGEE-IBGZPJMESA-N 2 2 344.503 1.235 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000339276193 535717131 /nfs/dbraw/zinc/71/71/31/535717131.db2.gz OMUBBSDZGZUOPE-MRXNPFEDSA-N 2 2 347.507 1.147 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000339276193 535717135 /nfs/dbraw/zinc/71/71/35/535717135.db2.gz OMUBBSDZGZUOPE-MRXNPFEDSA-N 2 2 347.507 1.147 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000246754149 535762205 /nfs/dbraw/zinc/76/22/05/535762205.db2.gz OBGQCNKBMPRMFE-HKUYNNGSSA-N 2 2 345.487 1.860 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000246754149 535762213 /nfs/dbraw/zinc/76/22/13/535762213.db2.gz OBGQCNKBMPRMFE-HKUYNNGSSA-N 2 2 345.487 1.860 20 0 EDADLP C[NH+](C)CCOC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347771155 535892270 /nfs/dbraw/zinc/89/22/70/535892270.db2.gz IKIYFFYIEZKXKI-UHFFFAOYSA-N 3 2 326.510 1.747 20 0 EDADLP CC[C@@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000248703838 536026281 /nfs/dbraw/zinc/02/62/81/536026281.db2.gz GZCOQMMIWCVCCR-KSSFIOAISA-N 2 2 332.448 1.455 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000124851465 536129606 /nfs/dbraw/zinc/12/96/06/536129606.db2.gz QHWQEDKHMMBXJI-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000271195090 536368836 /nfs/dbraw/zinc/36/88/36/536368836.db2.gz SDSKETOQDNIBIF-LJQANCHMSA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000271195090 536368838 /nfs/dbraw/zinc/36/88/38/536368838.db2.gz SDSKETOQDNIBIF-LJQANCHMSA-N 2 2 338.455 1.973 20 0 EDADLP C[NH2+][C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1cnn(C)c1 ZINC000262301382 536382967 /nfs/dbraw/zinc/38/29/67/536382967.db2.gz AYGDKHHAOCYEKU-HOTGVXAUSA-N 2 2 349.866 1.753 20 0 EDADLP CC(C)[C@H](C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1)[NH+](C)C ZINC000740717749 579380616 /nfs/dbraw/zinc/38/06/16/579380616.db2.gz QQVXRKJWIGRKGY-CYBMUJFWSA-N 2 2 326.510 1.598 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000740868143 579387443 /nfs/dbraw/zinc/38/74/43/579387443.db2.gz GTNBKGSJRPKAFK-NVXWUHKLSA-N 2 2 341.459 1.787 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000740868143 579387444 /nfs/dbraw/zinc/38/74/44/579387444.db2.gz GTNBKGSJRPKAFK-NVXWUHKLSA-N 2 2 341.459 1.787 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000726258627 578340160 /nfs/dbraw/zinc/34/01/60/578340160.db2.gz WZKIDDVFBVQVIU-WBVHZDCISA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000726258627 578340161 /nfs/dbraw/zinc/34/01/61/578340161.db2.gz WZKIDDVFBVQVIU-WBVHZDCISA-N 2 2 340.512 1.517 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000726259292 578340345 /nfs/dbraw/zinc/34/03/45/578340345.db2.gz ZUIWXBKTRLNLQU-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000726259292 578340346 /nfs/dbraw/zinc/34/03/46/578340346.db2.gz ZUIWXBKTRLNLQU-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1cccnc1/C=C\C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000759850506 580016907 /nfs/dbraw/zinc/01/69/07/580016907.db2.gz JARVYVQFGGZHJV-OGZRUICASA-N 2 2 328.460 1.688 20 0 EDADLP Cc1cccnc1/C=C\C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000759850506 580016908 /nfs/dbraw/zinc/01/69/08/580016908.db2.gz JARVYVQFGGZHJV-OGZRUICASA-N 2 2 328.460 1.688 20 0 EDADLP Cc1cccc2c1CC[N@@H+](CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)C2 ZINC000729467134 578576275 /nfs/dbraw/zinc/57/62/75/578576275.db2.gz OBQSGUYLWMAZEQ-UHFFFAOYSA-N 2 2 342.443 1.327 20 0 EDADLP Cc1cccc2c1CC[N@H+](CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)C2 ZINC000729467134 578576277 /nfs/dbraw/zinc/57/62/77/578576277.db2.gz OBQSGUYLWMAZEQ-UHFFFAOYSA-N 2 2 342.443 1.327 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000729607511 578584648 /nfs/dbraw/zinc/58/46/48/578584648.db2.gz YSVCBGMGCKPBCY-INIZCTEOSA-N 2 2 348.491 1.610 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000729617799 578584767 /nfs/dbraw/zinc/58/47/67/578584767.db2.gz HCBUMIICCQAAAM-SOUVJXGZSA-N 2 2 333.436 1.162 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000729617799 578584768 /nfs/dbraw/zinc/58/47/68/578584768.db2.gz HCBUMIICCQAAAM-SOUVJXGZSA-N 2 2 333.436 1.162 20 0 EDADLP CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000729919829 578599132 /nfs/dbraw/zinc/59/91/32/578599132.db2.gz FUGZPCCYYUQUAZ-DOTOQJQBSA-N 2 2 349.456 1.657 20 0 EDADLP CS(=O)(=O)c1ccc([C@H](O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000729919829 578599133 /nfs/dbraw/zinc/59/91/33/578599133.db2.gz FUGZPCCYYUQUAZ-DOTOQJQBSA-N 2 2 349.456 1.657 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000730736387 578656205 /nfs/dbraw/zinc/65/62/05/578656205.db2.gz VXCZENUDVJTKIU-INIZCTEOSA-N 2 2 340.537 1.143 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000732288446 578703124 /nfs/dbraw/zinc/70/31/24/578703124.db2.gz NUKJZUSREHNONI-ROUUACIJSA-N 2 2 331.460 1.349 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000732288446 578703126 /nfs/dbraw/zinc/70/31/26/578703126.db2.gz NUKJZUSREHNONI-ROUUACIJSA-N 2 2 331.460 1.349 20 0 EDADLP CCOC(=O)CCC[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000733997554 578792909 /nfs/dbraw/zinc/79/29/09/578792909.db2.gz ZSJSBXIDVDDZOQ-IBGZPJMESA-N 2 2 334.460 1.946 20 0 EDADLP CCOC(=O)CCC[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000733997554 578792910 /nfs/dbraw/zinc/79/29/10/578792910.db2.gz ZSJSBXIDVDDZOQ-IBGZPJMESA-N 2 2 334.460 1.946 20 0 EDADLP C[NH+](C)CCNC(=S)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000734311071 578808691 /nfs/dbraw/zinc/80/86/91/578808691.db2.gz YPNKGVYRZZEFKB-CYBMUJFWSA-N 2 2 330.448 1.593 20 0 EDADLP CC[NH+](CC)CC1CC[NH+](Cn2nc(CO)n(C)c2=S)CC1 ZINC000769834226 578857328 /nfs/dbraw/zinc/85/73/28/578857328.db2.gz OUKPRPDMNJLQCD-UHFFFAOYSA-N 2 2 327.498 1.455 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[N@@H+]1C ZINC000761079466 580047343 /nfs/dbraw/zinc/04/73/43/580047343.db2.gz FRZBOSHSPOOREV-INIZCTEOSA-N 2 2 346.475 1.093 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[N@H+]1C ZINC000761079466 580047344 /nfs/dbraw/zinc/04/73/44/580047344.db2.gz FRZBOSHSPOOREV-INIZCTEOSA-N 2 2 346.475 1.093 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc2[nH+]ccn21 ZINC000747574454 579649536 /nfs/dbraw/zinc/64/95/36/579649536.db2.gz HOHYACMYADBUQO-IJEWVQPXSA-N 2 2 328.416 1.658 20 0 EDADLP CC(C)(C)OC(=O)NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000747675077 579653387 /nfs/dbraw/zinc/65/33/87/579653387.db2.gz LFOJYLVLDBPIBI-OAHLLOKOSA-N 2 2 327.469 1.432 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000748346335 579680342 /nfs/dbraw/zinc/68/03/42/579680342.db2.gz PKZNWUDVGLDLCR-MRXNPFEDSA-N 2 2 330.476 1.210 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000748346335 579680343 /nfs/dbraw/zinc/68/03/43/579680343.db2.gz PKZNWUDVGLDLCR-MRXNPFEDSA-N 2 2 330.476 1.210 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000748346335 579680344 /nfs/dbraw/zinc/68/03/44/579680344.db2.gz PKZNWUDVGLDLCR-MRXNPFEDSA-N 2 2 330.476 1.210 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000748346335 579680345 /nfs/dbraw/zinc/68/03/45/579680345.db2.gz PKZNWUDVGLDLCR-MRXNPFEDSA-N 2 2 330.476 1.210 20 0 EDADLP O=C1c2ccc(F)cc2C(=O)N1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000749020000 579710430 /nfs/dbraw/zinc/71/04/30/579710430.db2.gz ZZLUOEBZEIMYMP-ZDUSSCGKSA-N 2 2 328.347 1.913 20 0 EDADLP O=C1c2ccc(F)cc2C(=O)N1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000749020000 579710431 /nfs/dbraw/zinc/71/04/31/579710431.db2.gz ZZLUOEBZEIMYMP-ZDUSSCGKSA-N 2 2 328.347 1.913 20 0 EDADLP CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000750246454 579756821 /nfs/dbraw/zinc/75/68/21/579756821.db2.gz OIZTYQJZVGLKPL-UHFFFAOYSA-N 2 2 347.463 1.243 20 0 EDADLP O=C(CC[NH+]1CCOCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000754844109 579914122 /nfs/dbraw/zinc/91/41/22/579914122.db2.gz ZPTIPPXRLMNYQO-UHFFFAOYSA-N 2 2 333.432 1.180 20 0 EDADLP Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)cc1 ZINC000755381233 579926434 /nfs/dbraw/zinc/92/64/34/579926434.db2.gz PKKJUDREYMPIFO-ZBFHGGJFSA-N 2 2 338.411 1.850 20 0 EDADLP Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)cc1 ZINC000755381233 579926435 /nfs/dbraw/zinc/92/64/35/579926435.db2.gz PKKJUDREYMPIFO-ZBFHGGJFSA-N 2 2 338.411 1.850 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H](O)C(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000765101127 580135360 /nfs/dbraw/zinc/13/53/60/580135360.db2.gz FHGMYNVXUCPFTD-OAHLLOKOSA-N 2 2 325.497 1.460 20 0 EDADLP CCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000778272348 580460412 /nfs/dbraw/zinc/46/04/12/580460412.db2.gz OXKWZHWSPSXQRW-KRWDZBQOSA-N 2 2 346.475 1.590 20 0 EDADLP CCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000778272348 580460413 /nfs/dbraw/zinc/46/04/13/580460413.db2.gz OXKWZHWSPSXQRW-KRWDZBQOSA-N 2 2 346.475 1.590 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc4nsnc43)CC2)C1 ZINC000766893722 580176390 /nfs/dbraw/zinc/17/63/90/580176390.db2.gz MBMSTFVKGGXUOP-OAHLLOKOSA-N 2 2 331.489 1.903 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc4nsnc43)CC2)C1 ZINC000766893722 580176391 /nfs/dbraw/zinc/17/63/91/580176391.db2.gz MBMSTFVKGGXUOP-OAHLLOKOSA-N 2 2 331.489 1.903 20 0 EDADLP CN(C)c1cc[nH+]c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000770457814 580261140 /nfs/dbraw/zinc/26/11/40/580261140.db2.gz MEDNOVSTJHZILP-UHFFFAOYSA-N 3 2 341.463 1.562 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773100390 580327064 /nfs/dbraw/zinc/32/70/64/580327064.db2.gz WFZLXRDKWIQGJC-LJQANCHMSA-N 3 2 334.508 1.624 20 0 EDADLP CCc1noc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000779648646 580492657 /nfs/dbraw/zinc/49/26/57/580492657.db2.gz NLQPEEUSQXMLRP-CQSZACIVSA-N 2 2 345.403 1.531 20 0 EDADLP CCc1noc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000779648646 580492658 /nfs/dbraw/zinc/49/26/58/580492658.db2.gz NLQPEEUSQXMLRP-CQSZACIVSA-N 2 2 345.403 1.531 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3csc(Cl)n3)C2)CC1 ZINC000781932280 580560659 /nfs/dbraw/zinc/56/06/59/580560659.db2.gz NWENAFBGGPLCDZ-JTQLQIEISA-N 2 2 328.869 1.695 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3csc(Cl)n3)C2)CC1 ZINC000781932280 580560660 /nfs/dbraw/zinc/56/06/60/580560660.db2.gz NWENAFBGGPLCDZ-JTQLQIEISA-N 2 2 328.869 1.695 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000782283119 580570834 /nfs/dbraw/zinc/57/08/34/580570834.db2.gz QOCKUEHWBOQVHG-ZBFHGGJFSA-N 2 2 328.453 1.044 20 0 EDADLP COc1cccc(C[N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000783973646 580609664 /nfs/dbraw/zinc/60/96/64/580609664.db2.gz OHMSUBATPPCQFE-OAHLLOKOSA-N 2 2 328.416 1.834 20 0 EDADLP COc1cccc(C[N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000783973646 580609665 /nfs/dbraw/zinc/60/96/65/580609665.db2.gz OHMSUBATPPCQFE-OAHLLOKOSA-N 2 2 328.416 1.834 20 0 EDADLP CC[N@H+](CCc1nccs1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783990335 580610682 /nfs/dbraw/zinc/61/06/82/580610682.db2.gz LURYGEYWQPIYDL-CYBMUJFWSA-N 2 2 333.461 1.715 20 0 EDADLP CC[N@@H+](CCc1nccs1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783990335 580610683 /nfs/dbraw/zinc/61/06/83/580610683.db2.gz LURYGEYWQPIYDL-CYBMUJFWSA-N 2 2 333.461 1.715 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2C2CCOCC2)C1 ZINC000783992539 580610769 /nfs/dbraw/zinc/61/07/69/580610769.db2.gz JPLMEUYPCLHTKP-JKSUJKDBSA-N 2 2 332.448 1.585 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2C2CCOCC2)C1 ZINC000783992539 580610770 /nfs/dbraw/zinc/61/07/70/580610770.db2.gz JPLMEUYPCLHTKP-JKSUJKDBSA-N 2 2 332.448 1.585 20 0 EDADLP Nc1cc(COC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000791942322 580805998 /nfs/dbraw/zinc/80/59/98/580805998.db2.gz BYHABEIRXMMKFE-INIZCTEOSA-N 2 2 327.384 1.608 20 0 EDADLP Nc1cc(COC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000791942322 580805999 /nfs/dbraw/zinc/80/59/99/580805999.db2.gz BYHABEIRXMMKFE-INIZCTEOSA-N 2 2 327.384 1.608 20 0 EDADLP Cc1cc(F)ccc1C[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000792711275 580825268 /nfs/dbraw/zinc/82/52/68/580825268.db2.gz HTNAOHRXAAHQGI-UHFFFAOYSA-N 2 2 348.422 1.540 20 0 EDADLP Cc1cc(F)ccc1C[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000792711275 580825269 /nfs/dbraw/zinc/82/52/69/580825269.db2.gz HTNAOHRXAAHQGI-UHFFFAOYSA-N 2 2 348.422 1.540 20 0 EDADLP NC(=[NH+]OC[C@H]1CCCO1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000794520102 580895909 /nfs/dbraw/zinc/89/59/09/580895909.db2.gz KEYKFWOHKZVDMW-MRXNPFEDSA-N 2 2 333.432 1.669 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=S)NCC(C)(C)C[NH+](C)C ZINC000795134280 580914134 /nfs/dbraw/zinc/91/41/34/580914134.db2.gz ZHTISVLHJYPPJA-CABCVRRESA-N 2 2 342.553 1.244 20 0 EDADLP O=C1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C(=O)N1 ZINC000796441335 580953865 /nfs/dbraw/zinc/95/38/65/580953865.db2.gz BRDWNZTUWKRUHX-APWZRJJASA-N 2 2 327.428 1.390 20 0 EDADLP O=C1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C(=O)N1 ZINC000796441335 580953866 /nfs/dbraw/zinc/95/38/66/580953866.db2.gz BRDWNZTUWKRUHX-APWZRJJASA-N 2 2 327.428 1.390 20 0 EDADLP O=C1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C(=O)N1 ZINC000796441335 580953867 /nfs/dbraw/zinc/95/38/67/580953867.db2.gz BRDWNZTUWKRUHX-APWZRJJASA-N 2 2 327.428 1.390 20 0 EDADLP O=C1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C(=O)N1 ZINC000796441335 580953868 /nfs/dbraw/zinc/95/38/68/580953868.db2.gz BRDWNZTUWKRUHX-APWZRJJASA-N 2 2 327.428 1.390 20 0 EDADLP C[C@@H]1CN(c2ccc(CNc3cc[nH+]cc3CO)c[nH+]2)C[C@@H](C)O1 ZINC000891839851 590647004 /nfs/dbraw/zinc/64/70/04/590647004.db2.gz MBWWSXABZNCNQJ-ZIAGYGMSSA-N 2 2 328.416 1.617 20 0 EDADLP CN(C(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000891846234 590652061 /nfs/dbraw/zinc/65/20/61/590652061.db2.gz YGNWKSGWWICQDU-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000891846234 590652065 /nfs/dbraw/zinc/65/20/65/590652065.db2.gz YGNWKSGWWICQDU-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3c4c(nn3C)CCC4)CC2)c1 ZINC000891930703 590693538 /nfs/dbraw/zinc/69/35/38/590693538.db2.gz ZCHKRRKRQSFJSD-UHFFFAOYSA-N 2 2 327.432 1.635 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892018299 590751605 /nfs/dbraw/zinc/75/16/05/590751605.db2.gz KFNHVRLCMPQILQ-CQSZACIVSA-N 2 2 337.493 1.417 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CC1 ZINC000892024755 590754873 /nfs/dbraw/zinc/75/48/73/590754873.db2.gz RMFWDNGSZGLUMU-CQSZACIVSA-N 2 2 335.477 1.171 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000890850172 590812800 /nfs/dbraw/zinc/81/28/00/590812800.db2.gz PVNVIKBEEABZFP-UHFFFAOYSA-N 2 2 328.416 1.370 20 0 EDADLP CN1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)Cc2ccc[nH+]c21 ZINC000892228124 590875607 /nfs/dbraw/zinc/87/56/07/590875607.db2.gz CLXOZGNQCGQUBT-UHFFFAOYSA-N 2 2 343.406 1.841 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCC1 ZINC000892249894 590886727 /nfs/dbraw/zinc/88/67/27/590886727.db2.gz YLAADZPUSVHLHC-UHFFFAOYSA-N 2 2 349.504 1.706 20 0 EDADLP [NH3+]CCCOCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892293141 590919222 /nfs/dbraw/zinc/91/92/22/590919222.db2.gz RCPPXDUMFHDQAI-INIZCTEOSA-N 2 2 331.420 1.289 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000909386909 590933776 /nfs/dbraw/zinc/93/37/76/590933776.db2.gz KFOYLTMYEQPLCJ-HNNXBMFYSA-N 2 2 333.432 1.590 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2c[nH+]c(C)cc2C)C1 ZINC000909386909 590933780 /nfs/dbraw/zinc/93/37/80/590933780.db2.gz KFOYLTMYEQPLCJ-HNNXBMFYSA-N 2 2 333.432 1.590 20 0 EDADLP CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(C)(C)C[NH+]1CCOCC1 ZINC000840568932 591014886 /nfs/dbraw/zinc/01/48/86/591014886.db2.gz WQSIRLVAODDWQF-GOSISDBHSA-N 2 2 343.487 1.768 20 0 EDADLP CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C[NH+]1CCOCC1 ZINC000840568932 591014891 /nfs/dbraw/zinc/01/48/91/591014891.db2.gz WQSIRLVAODDWQF-GOSISDBHSA-N 2 2 343.487 1.768 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(NC3CC[NH+](CC(=O)N(C)C)CC3)c12 ZINC000892447573 591031476 /nfs/dbraw/zinc/03/14/76/591031476.db2.gz RDIZEFPMCDHMOV-UHFFFAOYSA-N 2 2 330.436 1.485 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000893646115 591034633 /nfs/dbraw/zinc/03/46/33/591034633.db2.gz DPJORSLTIDAIAH-UHFFFAOYSA-N 2 2 334.386 1.570 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000893646115 591034635 /nfs/dbraw/zinc/03/46/35/591034635.db2.gz DPJORSLTIDAIAH-UHFFFAOYSA-N 2 2 334.386 1.570 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)Cc2ccc[nH+]c21 ZINC000892477934 591041231 /nfs/dbraw/zinc/04/12/31/591041231.db2.gz GZXAOPVSWRUTHN-OAHLLOKOSA-N 2 2 331.464 1.821 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000892498913 591050157 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C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000891706110 591193740 /nfs/dbraw/zinc/19/37/40/591193740.db2.gz ZBXAWJYCHHWDBN-GJZGRUSLSA-N 2 2 326.404 1.113 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000891707691 591194480 /nfs/dbraw/zinc/19/44/80/591194480.db2.gz FUFBQYHIGSRXAL-OLZOCXBDSA-N 2 2 339.390 1.204 20 0 EDADLP COc1ccc(C2CC2)cc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000892833610 591199181 /nfs/dbraw/zinc/19/91/81/591199181.db2.gz OBWJQFJQGKUXIA-INIZCTEOSA-N 2 2 332.448 1.357 20 0 EDADLP COc1ccc(C2CC2)cc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000892833610 591199183 /nfs/dbraw/zinc/19/91/83/591199183.db2.gz OBWJQFJQGKUXIA-INIZCTEOSA-N 2 2 332.448 1.357 20 0 EDADLP CO[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000895668396 591247364 /nfs/dbraw/zinc/24/73/64/591247364.db2.gz JNNLVNKLYCDUTL-FZNQNYSPSA-N 2 2 341.496 1.990 20 0 EDADLP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)OC ZINC000895687099 591249634 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C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCOC3)CCN1c1cc[nH+]cc1 ZINC000896003143 591323751 /nfs/dbraw/zinc/32/37/51/591323751.db2.gz TVUHHQSLSYHAHA-CQSZACIVSA-N 2 2 327.432 1.599 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCOC3)CCN1c1cc[nH+]cc1 ZINC000896003143 591323753 /nfs/dbraw/zinc/32/37/53/591323753.db2.gz TVUHHQSLSYHAHA-CQSZACIVSA-N 2 2 327.432 1.599 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)n[nH]1 ZINC000898383660 591336727 /nfs/dbraw/zinc/33/67/27/591336727.db2.gz AVFMLPAYSGYNCU-CVEARBPZSA-N 2 2 333.480 1.979 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)n[nH]1 ZINC000898383660 591336730 /nfs/dbraw/zinc/33/67/30/591336730.db2.gz AVFMLPAYSGYNCU-CVEARBPZSA-N 2 2 333.480 1.979 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)n[nH]1 ZINC000898383660 591336732 /nfs/dbraw/zinc/33/67/32/591336732.db2.gz AVFMLPAYSGYNCU-CVEARBPZSA-N 2 2 333.480 1.979 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)n[nH]1 ZINC000898383660 591336735 /nfs/dbraw/zinc/33/67/35/591336735.db2.gz AVFMLPAYSGYNCU-CVEARBPZSA-N 2 2 333.480 1.979 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000896138832 591360124 /nfs/dbraw/zinc/36/01/24/591360124.db2.gz UNJMIFWJBUNJMX-CZUORRHYSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896138832 591360129 /nfs/dbraw/zinc/36/01/29/591360129.db2.gz UNJMIFWJBUNJMX-CZUORRHYSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896138832 591360134 /nfs/dbraw/zinc/36/01/34/591360134.db2.gz UNJMIFWJBUNJMX-CZUORRHYSA-N 2 2 335.452 1.017 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000895046045 591539577 /nfs/dbraw/zinc/53/95/77/591539577.db2.gz DVOMDFBCDITIPU-UHFFFAOYSA-N 2 2 331.420 1.164 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC[N@H+]1CCCOCC1 ZINC000895046045 591539579 /nfs/dbraw/zinc/53/95/79/591539579.db2.gz DVOMDFBCDITIPU-UHFFFAOYSA-N 2 2 331.420 1.164 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)C12CCC2 ZINC000898846246 591553546 /nfs/dbraw/zinc/55/35/46/591553546.db2.gz SDDCKLQLOXPWDT-HUUCEWRRSA-N 2 2 325.416 1.870 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3nc(Br)nn3C)cn21 ZINC000895088864 591578289 /nfs/dbraw/zinc/57/82/89/591578289.db2.gz PYFZOUAQFDESOD-UHFFFAOYSA-N 2 2 349.236 1.866 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCOC12CCCCC2 ZINC000897642211 591600315 /nfs/dbraw/zinc/60/03/15/591600315.db2.gz FHFYCYQKFLYADR-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCOC12CCCCC2 ZINC000897642211 591600319 /nfs/dbraw/zinc/60/03/19/591600319.db2.gz FHFYCYQKFLYADR-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000898959090 591616659 /nfs/dbraw/zinc/61/66/59/591616659.db2.gz JNVYLTOTXMLVSQ-AWEZNQCLSA-N 2 2 345.447 1.287 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000898959090 591616660 /nfs/dbraw/zinc/61/66/60/591616660.db2.gz JNVYLTOTXMLVSQ-AWEZNQCLSA-N 2 2 345.447 1.287 20 0 EDADLP O=C1CCCN1C1C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000897785907 591668357 /nfs/dbraw/zinc/66/83/57/591668357.db2.gz BFHCOAQJUQFIDE-UHFFFAOYSA-N 2 2 343.471 1.968 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000897953646 591735691 /nfs/dbraw/zinc/73/56/91/591735691.db2.gz ZEDBSXLZLBCCNT-QGZVFWFLSA-N 2 2 330.432 1.827 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)OCCO2 ZINC000897229082 591778706 /nfs/dbraw/zinc/77/87/06/591778706.db2.gz RAHIZGHEMOFMRI-XHSDSOJGSA-N 2 2 328.428 1.463 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)OCCO2 ZINC000897229082 591778709 /nfs/dbraw/zinc/77/87/09/591778709.db2.gz RAHIZGHEMOFMRI-XHSDSOJGSA-N 2 2 328.428 1.463 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000900000559 591861980 /nfs/dbraw/zinc/86/19/80/591861980.db2.gz OACIPXZXQVDZGZ-RHSMWYFYSA-N 2 2 342.443 1.967 20 0 EDADLP C/C(=C/C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000900020644 591870123 /nfs/dbraw/zinc/87/01/23/591870123.db2.gz FIMUMDWPAVMUCB-BLMOFCDVSA-N 2 2 343.471 1.656 20 0 EDADLP C/C(=C/C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000900020644 591870128 /nfs/dbraw/zinc/87/01/28/591870128.db2.gz FIMUMDWPAVMUCB-BLMOFCDVSA-N 2 2 343.471 1.656 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O ZINC000902189368 591940966 /nfs/dbraw/zinc/94/09/66/591940966.db2.gz VCHHGWAKFNCEHK-QFBILLFUSA-N 2 2 338.411 1.489 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)[C@@H]2C[C@]2(c2ccccc2)C1=O ZINC000902189368 591940969 /nfs/dbraw/zinc/94/09/69/591940969.db2.gz VCHHGWAKFNCEHK-QFBILLFUSA-N 2 2 338.411 1.489 20 0 EDADLP NC(=[NH+]OC[C@@H]1CNC(=O)C1)c1ccccc1C[NH+]1CCCCC1 ZINC000902226464 591949382 /nfs/dbraw/zinc/94/93/82/591949382.db2.gz LBJPULIUDXWJSW-AWEZNQCLSA-N 2 2 330.432 1.655 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900255845 591962504 /nfs/dbraw/zinc/96/25/04/591962504.db2.gz KDKFCNVQNHUZSS-AWEZNQCLSA-N 2 2 327.388 1.235 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C2([NH3+])CC2)s1 ZINC000902352672 591984699 /nfs/dbraw/zinc/98/46/99/591984699.db2.gz QZWFCCSVEVAGDZ-LLVKDONJSA-N 2 2 331.507 1.748 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(N2CC[NH2+]CC[NH2+]CC2)n1 ZINC000900368363 591998379 /nfs/dbraw/zinc/99/83/79/591998379.db2.gz DOHMTMRVYYNASK-WBVHZDCISA-N 2 2 348.495 1.091 20 0 EDADLP C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902741341 592055375 /nfs/dbraw/zinc/05/53/75/592055375.db2.gz BDEQRSVCOCWNDI-CQSZACIVSA-N 2 2 328.416 1.805 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC2)cn1 ZINC000900593859 592062451 /nfs/dbraw/zinc/06/24/51/592062451.db2.gz JNEGTFQHFZWLOH-MSOLQXFVSA-N 2 2 345.491 1.471 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC2)cn1 ZINC000900593859 592062453 /nfs/dbraw/zinc/06/24/53/592062453.db2.gz JNEGTFQHFZWLOH-MSOLQXFVSA-N 2 2 345.491 1.471 20 0 EDADLP Cn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)cn1 ZINC000900593859 592062455 /nfs/dbraw/zinc/06/24/55/592062455.db2.gz JNEGTFQHFZWLOH-MSOLQXFVSA-N 2 2 345.491 1.471 20 0 EDADLP Cn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)cn1 ZINC000900593859 592062457 /nfs/dbraw/zinc/06/24/57/592062457.db2.gz JNEGTFQHFZWLOH-MSOLQXFVSA-N 2 2 345.491 1.471 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900600098 592065140 /nfs/dbraw/zinc/06/51/40/592065140.db2.gz WITJWLPRWLDLHM-JKSUJKDBSA-N 2 2 331.464 1.081 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900600098 592065143 /nfs/dbraw/zinc/06/51/43/592065143.db2.gz WITJWLPRWLDLHM-JKSUJKDBSA-N 2 2 331.464 1.081 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900696154 592088988 /nfs/dbraw/zinc/08/89/88/592088988.db2.gz RPYQZXWCPSLDDG-UHFFFAOYSA-N 2 2 334.464 1.671 20 0 EDADLP C[C@H]1CCc2[nH]nc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000900692967 592097090 /nfs/dbraw/zinc/09/70/90/592097090.db2.gz MFDJQRIBRXHXGG-AWEZNQCLSA-N 2 2 347.507 1.633 20 0 EDADLP C[C@H]1CCc2[nH]nc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000900692967 592097093 /nfs/dbraw/zinc/09/70/93/592097093.db2.gz MFDJQRIBRXHXGG-AWEZNQCLSA-N 2 2 347.507 1.633 20 0 EDADLP C/C(=C/C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[NH+]1CCOCC1 ZINC000900736475 592113255 /nfs/dbraw/zinc/11/32/55/592113255.db2.gz ZCLPYPMJZNEVCY-KGAUPUERSA-N 2 2 325.497 1.748 20 0 EDADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903073965 592119685 /nfs/dbraw/zinc/11/96/85/592119685.db2.gz SSGCXNNKMZGSPW-RDBSUJKOSA-N 2 2 344.415 1.589 20 0 EDADLP c1cc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)cc(C[NH+]2CCOCC2)c1 ZINC000903072860 592119762 /nfs/dbraw/zinc/11/97/62/592119762.db2.gz LEFVFPGLUNFYRM-RTBURBONSA-N 2 2 332.444 1.556 20 0 EDADLP C([NH2+][C@H]1CCO[C@@]12CCOC2)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000903109714 592121422 /nfs/dbraw/zinc/12/14/22/592121422.db2.gz IOWDBJMLPGPFLQ-PKOBYXMFSA-N 2 2 338.492 1.807 20 0 EDADLP C([C@@H]1CCCO1)[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000903269786 592149056 /nfs/dbraw/zinc/14/90/56/592149056.db2.gz BORJBRAKOVAITE-BZSNNMDCSA-N 2 2 339.549 1.799 20 0 EDADLP C([C@@H]1CCCO1)[NH+]1CCC(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000903269786 592149057 /nfs/dbraw/zinc/14/90/57/592149057.db2.gz BORJBRAKOVAITE-BZSNNMDCSA-N 2 2 339.549 1.799 20 0 EDADLP Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903439708 592169962 /nfs/dbraw/zinc/16/99/62/592169962.db2.gz MEAVUGLUBZIVOQ-KURKYZTESA-N 2 2 345.487 1.762 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470947 592175082 /nfs/dbraw/zinc/17/50/82/592175082.db2.gz FFVCVBYDIRIWAH-MRXNPFEDSA-N 2 2 343.427 1.173 20 0 EDADLP COCCOc1ccc(CNC(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469435 592175104 /nfs/dbraw/zinc/17/51/04/592175104.db2.gz UZMGYQWZQNWHDH-KRWDZBQOSA-N 2 2 347.459 1.202 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]cc(Br)n2C1)c1ccc(=O)[nH]n1 ZINC000903478640 592176130 /nfs/dbraw/zinc/17/61/30/592176130.db2.gz HWEFKXSRRXBVCR-BDAKNGLRSA-N 2 2 338.209 1.807 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1)c1cnnn1C ZINC000903480267 592176693 /nfs/dbraw/zinc/17/66/93/592176693.db2.gz OKSJFENKCRFDDR-DTWKUNHWSA-N 2 2 325.214 1.440 20 0 EDADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903482278 592177111 /nfs/dbraw/zinc/17/71/11/592177111.db2.gz AKCOUPQFOYBMJD-OAHLLOKOSA-N 2 2 345.443 1.373 20 0 EDADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903482278 592177113 /nfs/dbraw/zinc/17/71/13/592177113.db2.gz AKCOUPQFOYBMJD-OAHLLOKOSA-N 2 2 345.443 1.373 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000900995389 592200216 /nfs/dbraw/zinc/20/02/16/592200216.db2.gz LONSKCKYQJKXPR-RRFJBIMHSA-N 2 2 337.464 1.003 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000900995389 592200218 /nfs/dbraw/zinc/20/02/18/592200218.db2.gz LONSKCKYQJKXPR-RRFJBIMHSA-N 2 2 337.464 1.003 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000900995389 592200221 /nfs/dbraw/zinc/20/02/21/592200221.db2.gz LONSKCKYQJKXPR-RRFJBIMHSA-N 2 2 337.464 1.003 20 0 EDADLP C/C(=C/C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)C[NH+]1CCOCC1 ZINC000901152319 592264348 /nfs/dbraw/zinc/26/43/48/592264348.db2.gz OQKOTLKFBRRPSH-UWKDKTGGSA-N 2 2 337.508 1.749 20 0 EDADLP C/C(=C/C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)C[NH+]1CCOCC1 ZINC000901152319 592264351 /nfs/dbraw/zinc/26/43/51/592264351.db2.gz OQKOTLKFBRRPSH-UWKDKTGGSA-N 2 2 337.508 1.749 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000901161171 592272473 /nfs/dbraw/zinc/27/24/73/592272473.db2.gz XWYUHZUSYQWPRP-UHFFFAOYSA-N 2 2 335.496 1.456 20 0 EDADLP C/C(=C/C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000901218864 592292245 /nfs/dbraw/zinc/29/22/45/592292245.db2.gz NVCAIFOIZVLOPO-VHUCWBOISA-N 2 2 329.444 1.568 20 0 EDADLP C/C(=C/C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000901218864 592292249 /nfs/dbraw/zinc/29/22/49/592292249.db2.gz NVCAIFOIZVLOPO-VHUCWBOISA-N 2 2 329.444 1.568 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)C2 ZINC000908116062 592329188 /nfs/dbraw/zinc/32/91/88/592329188.db2.gz WJLDHBZNOFROHY-DAYGRLMNSA-N 2 2 346.475 1.174 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)C2 ZINC000908116062 592329191 /nfs/dbraw/zinc/32/91/91/592329191.db2.gz WJLDHBZNOFROHY-DAYGRLMNSA-N 2 2 346.475 1.174 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000903824928 592333812 /nfs/dbraw/zinc/33/38/12/592333812.db2.gz VDEMMUYRISRYMQ-YRXWBPOGSA-N 2 2 334.460 1.187 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000903824928 592333816 /nfs/dbraw/zinc/33/38/16/592333816.db2.gz VDEMMUYRISRYMQ-YRXWBPOGSA-N 2 2 334.460 1.187 20 0 EDADLP OC1(C(F)(F)F)CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903902514 592371345 /nfs/dbraw/zinc/37/13/45/592371345.db2.gz IGJSHWNEOPVKBM-NSHDSACASA-N 2 2 333.358 1.092 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH2+]CCc2cn3ccccc3[nH+]2)cnn1C ZINC000903925305 592379548 /nfs/dbraw/zinc/37/95/48/592379548.db2.gz DOKXIAUOUBOQID-OAHLLOKOSA-N 3 2 326.448 1.326 20 0 EDADLP FC(F)(F)c1csc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)n1 ZINC000903926897 592380949 /nfs/dbraw/zinc/38/09/49/592380949.db2.gz VIHKAKJXLLYYQE-SECBINFHSA-N 2 2 346.382 1.968 20 0 EDADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908251811 592407501 /nfs/dbraw/zinc/40/75/01/592407501.db2.gz PFQZJHJXLKAHBJ-MRXNPFEDSA-N 2 2 333.480 1.450 20 0 EDADLP CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908251811 592407504 /nfs/dbraw/zinc/40/75/04/592407504.db2.gz PFQZJHJXLKAHBJ-MRXNPFEDSA-N 2 2 333.480 1.450 20 0 EDADLP [NH3+][C@H]1CC[C@@H](Cc2noc(-c3ccc(C[NH+]4CCOCC4)o3)n2)C1 ZINC000904128771 592431174 /nfs/dbraw/zinc/43/11/74/592431174.db2.gz NOPMKPXHQJJCGD-OLZOCXBDSA-N 2 2 332.404 1.832 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1coc(C[NH+]2CC[C@H](O)C2)n1 ZINC000908303816 592441663 /nfs/dbraw/zinc/44/16/63/592441663.db2.gz QEYMKEXXRGVWBX-KGLIPLIRSA-N 2 2 338.452 1.091 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1coc(C[NH+]2CC[C@H](O)C2)n1 ZINC000908303816 592441666 /nfs/dbraw/zinc/44/16/66/592441666.db2.gz QEYMKEXXRGVWBX-KGLIPLIRSA-N 2 2 338.452 1.091 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000908303816 592441667 /nfs/dbraw/zinc/44/16/67/592441667.db2.gz QEYMKEXXRGVWBX-KGLIPLIRSA-N 2 2 338.452 1.091 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000908303816 592441670 /nfs/dbraw/zinc/44/16/70/592441670.db2.gz QEYMKEXXRGVWBX-KGLIPLIRSA-N 2 2 338.452 1.091 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901730841 592447396 /nfs/dbraw/zinc/44/73/96/592447396.db2.gz XVSYPAPRGCQVNS-HBNTYKKESA-N 2 2 343.269 1.853 20 0 EDADLP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000905361553 592507163 /nfs/dbraw/zinc/50/71/63/592507163.db2.gz GYJMBOCNPUPWNJ-KRWDZBQOSA-N 2 2 348.472 1.543 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)c1c(F)cccc1F ZINC000905620507 592588304 /nfs/dbraw/zinc/58/83/04/592588304.db2.gz SBRAYGBPZOJEJW-CJNGLKHVSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)c1c(F)cccc1F ZINC000905620507 592588306 /nfs/dbraw/zinc/58/83/06/592588306.db2.gz SBRAYGBPZOJEJW-CJNGLKHVSA-N 2 2 326.387 1.841 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000905625031 592589250 /nfs/dbraw/zinc/58/92/50/592589250.db2.gz OYCDZUGOWQNDFP-MSOLQXFVSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000905625031 592589251 /nfs/dbraw/zinc/58/92/51/592589251.db2.gz OYCDZUGOWQNDFP-MSOLQXFVSA-N 2 2 334.460 1.578 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@@H]3C[NH2+]CCC3(F)F)[nH+]cn2)C1 ZINC000905676917 592608820 /nfs/dbraw/zinc/60/88/20/592608820.db2.gz FFUNPIKLXHQMEE-STQMWFEESA-N 2 2 341.406 1.342 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@@H]3C[NH2+]CCC3(F)F)nc[nH+]2)C1 ZINC000905676917 592608823 /nfs/dbraw/zinc/60/88/23/592608823.db2.gz FFUNPIKLXHQMEE-STQMWFEESA-N 2 2 341.406 1.342 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCCC[C@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000905682706 592611419 /nfs/dbraw/zinc/61/14/19/592611419.db2.gz NRMLPSWYOUXHKF-TXPKVOOTSA-N 2 2 345.491 1.654 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCCC[C@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000905682706 592611421 /nfs/dbraw/zinc/61/14/21/592611421.db2.gz NRMLPSWYOUXHKF-TXPKVOOTSA-N 2 2 345.491 1.654 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000907372710 592615217 /nfs/dbraw/zinc/61/52/17/592615217.db2.gz DQDHTXFFNGSSSN-INIZCTEOSA-N 2 2 331.464 1.556 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000907372710 592615219 /nfs/dbraw/zinc/61/52/19/592615219.db2.gz DQDHTXFFNGSSSN-INIZCTEOSA-N 2 2 331.464 1.556 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)CC1(O)CCCC1 ZINC000905908614 592677222 /nfs/dbraw/zinc/67/72/22/592677222.db2.gz JTDQFORYEIHXIO-GOSISDBHSA-N 2 2 333.476 1.692 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000907739947 592766742 /nfs/dbraw/zinc/76/67/42/592766742.db2.gz XHEFAFWDUPUDAG-MRXNPFEDSA-N 2 2 330.457 1.686 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000907739947 592766746 /nfs/dbraw/zinc/76/67/46/592766746.db2.gz XHEFAFWDUPUDAG-MRXNPFEDSA-N 2 2 330.457 1.686 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000907739947 592766748 /nfs/dbraw/zinc/76/67/48/592766748.db2.gz XHEFAFWDUPUDAG-MRXNPFEDSA-N 2 2 330.457 1.686 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000907739947 592766751 /nfs/dbraw/zinc/76/67/51/592766751.db2.gz XHEFAFWDUPUDAG-MRXNPFEDSA-N 2 2 330.457 1.686 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)cn1 ZINC000906588170 592851901 /nfs/dbraw/zinc/85/19/01/592851901.db2.gz YBXLDVNBSFUERP-UHFFFAOYSA-N 2 2 347.507 1.719 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)cn1 ZINC000906588170 592851903 /nfs/dbraw/zinc/85/19/03/592851903.db2.gz YBXLDVNBSFUERP-UHFFFAOYSA-N 2 2 347.507 1.719 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906590234 592852720 /nfs/dbraw/zinc/85/27/20/592852720.db2.gz HENCTTFFDHTJEH-KZNAEPCWSA-N 2 2 331.435 1.920 20 0 EDADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906617999 592859340 /nfs/dbraw/zinc/85/93/40/592859340.db2.gz TUDZMTWNXNHQRW-KRWDZBQOSA-N 2 2 346.475 1.034 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906617999 592859342 /nfs/dbraw/zinc/85/93/42/592859342.db2.gz TUDZMTWNXNHQRW-KRWDZBQOSA-N 2 2 346.475 1.034 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000910639812 592881865 /nfs/dbraw/zinc/88/18/65/592881865.db2.gz FXEFAVDLKQDFKC-UHFFFAOYSA-N 2 2 349.479 1.162 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000910639812 592881866 /nfs/dbraw/zinc/88/18/66/592881866.db2.gz FXEFAVDLKQDFKC-UHFFFAOYSA-N 2 2 349.479 1.162 20 0 EDADLP NC(=O)COc1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000731451389 592925736 /nfs/dbraw/zinc/92/57/36/592925736.db2.gz XYDZVLQTVXIFBB-UHFFFAOYSA-N 2 2 337.383 1.421 20 0 EDADLP CCC/C=C/[C@H](O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190040 592945882 /nfs/dbraw/zinc/94/58/82/592945882.db2.gz FICKEENTHMAWBF-IWHGQQBYSA-N 2 2 337.508 1.722 20 0 EDADLP CCC/C=C/[C@H](O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190040 592945883 /nfs/dbraw/zinc/94/58/83/592945883.db2.gz FICKEENTHMAWBF-IWHGQQBYSA-N 2 2 337.508 1.722 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)c3cnccn3)CC2)CC1 ZINC000911190565 592946215 /nfs/dbraw/zinc/94/62/15/592946215.db2.gz LPUADAINEXZSIQ-MRXNPFEDSA-N 2 2 345.491 1.599 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)c3cnccn3)CC2)CC1 ZINC000911190565 592946217 /nfs/dbraw/zinc/94/62/17/592946217.db2.gz LPUADAINEXZSIQ-MRXNPFEDSA-N 2 2 345.491 1.599 20 0 EDADLP COc1c(C)c[nH+]c(CN2CC[NH+](CC[S@@](C)=O)CC2)c1C ZINC000755954516 593017595 /nfs/dbraw/zinc/01/75/95/593017595.db2.gz CAWZLIJJDMLYRI-JOCHJYFZSA-N 2 2 325.478 1.203 20 0 EDADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CCO1 ZINC000911882743 593030288 /nfs/dbraw/zinc/03/02/88/593030288.db2.gz VUCCNFNINMPPNZ-HBNTYKKESA-N 2 2 334.342 1.031 20 0 EDADLP CC[N@H+]1[C@H](C)CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000912024484 593048894 /nfs/dbraw/zinc/04/88/94/593048894.db2.gz PIALTLRPGRJLPF-IYBDPMFKSA-N 2 2 345.491 1.388 20 0 EDADLP CC[N@@H+]1[C@H](C)CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000912024484 593048896 /nfs/dbraw/zinc/04/88/96/593048896.db2.gz PIALTLRPGRJLPF-IYBDPMFKSA-N 2 2 345.491 1.388 20 0 EDADLP CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000805776037 593141731 /nfs/dbraw/zinc/14/17/31/593141731.db2.gz LMGXXJDKQHFJFD-HOTGVXAUSA-N 2 2 327.469 1.434 20 0 EDADLP CCCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000805776037 593141733 /nfs/dbraw/zinc/14/17/33/593141733.db2.gz LMGXXJDKQHFJFD-HOTGVXAUSA-N 2 2 327.469 1.434 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COCc1ccccn1 ZINC000807570150 593181894 /nfs/dbraw/zinc/18/18/94/593181894.db2.gz OWXHVDQXLJOYBJ-UHFFFAOYSA-N 2 2 334.464 1.083 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COCc1ccccn1 ZINC000807570150 593181896 /nfs/dbraw/zinc/18/18/96/593181896.db2.gz OWXHVDQXLJOYBJ-UHFFFAOYSA-N 2 2 334.464 1.083 20 0 EDADLP O=C1N(C[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H](C2CC2)[C@]12CCCO2 ZINC000839955013 593224079 /nfs/dbraw/zinc/22/40/79/593224079.db2.gz YNWXXFDLPATUTG-IEBWSBKVSA-N 2 2 342.443 1.331 20 0 EDADLP CCC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000802733142 593274172 /nfs/dbraw/zinc/27/41/72/593274172.db2.gz UFOMPJNEDYXGEI-QAPCUYQASA-N 2 2 345.447 1.978 20 0 EDADLP CCC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000802733142 593274174 /nfs/dbraw/zinc/27/41/74/593274174.db2.gz UFOMPJNEDYXGEI-QAPCUYQASA-N 2 2 345.447 1.978 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809985393 593373957 /nfs/dbraw/zinc/37/39/57/593373957.db2.gz KYOPVXOFHZFWOU-HNNXBMFYSA-N 2 2 341.496 1.821 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809985393 593373959 /nfs/dbraw/zinc/37/39/59/593373959.db2.gz KYOPVXOFHZFWOU-HNNXBMFYSA-N 2 2 341.496 1.821 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](F)C(F)(F)F ZINC000810300594 593392005 /nfs/dbraw/zinc/39/20/05/593392005.db2.gz ZJIHCDITYQNCQP-VXGBXAGGSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](F)C(F)(F)F ZINC000810300594 593392008 /nfs/dbraw/zinc/39/20/08/593392008.db2.gz ZJIHCDITYQNCQP-VXGBXAGGSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810300594 593392010 /nfs/dbraw/zinc/39/20/10/593392010.db2.gz ZJIHCDITYQNCQP-VXGBXAGGSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810300594 593392012 /nfs/dbraw/zinc/39/20/12/593392012.db2.gz ZJIHCDITYQNCQP-VXGBXAGGSA-N 2 2 327.366 1.761 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3C[C@@H](C)[C@@H](C)C3=O)CC2)CC1 ZINC000840039485 593404264 /nfs/dbraw/zinc/40/42/64/593404264.db2.gz VHWKFZIAAGFYQW-IAGOWNOFSA-N 2 2 336.524 1.549 20 0 EDADLP Cc1cncc(/C=C\C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000772691682 593455174 /nfs/dbraw/zinc/45/51/74/593455174.db2.gz BULMGEABZLRDCC-CWIOURORSA-N 2 2 328.460 1.688 20 0 EDADLP Cc1cncc(/C=C\C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000772691682 593455175 /nfs/dbraw/zinc/45/51/75/593455175.db2.gz BULMGEABZLRDCC-CWIOURORSA-N 2 2 328.460 1.688 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CC([NH+](C)Cc3ccccc3)C2)CCO1 ZINC000806665632 593463326 /nfs/dbraw/zinc/46/33/26/593463326.db2.gz PHGZVTPMLSITQL-INIZCTEOSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC([NH+](C)Cc3ccccc3)C2)CCO1 ZINC000806665632 593463327 /nfs/dbraw/zinc/46/33/27/593463327.db2.gz PHGZVTPMLSITQL-INIZCTEOSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CCO1 ZINC000806665632 593463328 /nfs/dbraw/zinc/46/33/28/593463328.db2.gz PHGZVTPMLSITQL-INIZCTEOSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CCO1 ZINC000806665632 593463329 /nfs/dbraw/zinc/46/33/29/593463329.db2.gz PHGZVTPMLSITQL-INIZCTEOSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000811758798 593479749 /nfs/dbraw/zinc/47/97/49/593479749.db2.gz LEFXMSLZNZSNKB-XDNAFOTISA-N 2 2 347.503 1.920 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000811758798 593479750 /nfs/dbraw/zinc/47/97/50/593479750.db2.gz LEFXMSLZNZSNKB-XDNAFOTISA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000811758798 593479751 /nfs/dbraw/zinc/47/97/51/593479751.db2.gz LEFXMSLZNZSNKB-XDNAFOTISA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000811758798 593479752 /nfs/dbraw/zinc/47/97/52/593479752.db2.gz LEFXMSLZNZSNKB-XDNAFOTISA-N 2 2 347.503 1.920 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cn2c(n1)CCCC2 ZINC000813325458 593526200 /nfs/dbraw/zinc/52/62/00/593526200.db2.gz FCTHAHNCJKIFMF-CABCVRRESA-N 2 2 333.480 1.457 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cn2c(n1)CCCC2 ZINC000813325458 593526202 /nfs/dbraw/zinc/52/62/02/593526202.db2.gz FCTHAHNCJKIFMF-CABCVRRESA-N 2 2 333.480 1.457 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cn3cc(Cl)cn3)CC2)CC1 ZINC000817373377 593597703 /nfs/dbraw/zinc/59/77/03/593597703.db2.gz PAJQETJMILXAGO-UHFFFAOYSA-N 2 2 325.888 1.986 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cn3cc(Cl)cn3)CC2)CC1 ZINC000817373377 593597704 /nfs/dbraw/zinc/59/77/04/593597704.db2.gz PAJQETJMILXAGO-UHFFFAOYSA-N 2 2 325.888 1.986 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](O)c1ccccc1Br ZINC000817934583 593650249 /nfs/dbraw/zinc/65/02/49/593650249.db2.gz IMOYHBORQNNUOX-XUJVJEKNSA-N 2 2 343.265 1.839 20 0 EDADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817952636 593651623 /nfs/dbraw/zinc/65/16/23/593651623.db2.gz GSHNEOMUYIVCIH-QAPCUYQASA-N 2 2 347.459 1.754 20 0 EDADLP O=C(CC[NH2+]CC1(O)CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000818989549 593732632 /nfs/dbraw/zinc/73/26/32/593732632.db2.gz QIDOBZVOSMJYCV-UHFFFAOYSA-N 2 2 346.475 1.405 20 0 EDADLP CCS(=O)(=O)CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000819012433 593733973 /nfs/dbraw/zinc/73/39/73/593733973.db2.gz FCGKHKSXTFIELT-CQSZACIVSA-N 2 2 339.461 1.038 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819079051 593737629 /nfs/dbraw/zinc/73/76/29/593737629.db2.gz QIUYGJHUQDOLCP-NVXWUHKLSA-N 2 2 340.489 1.588 20 0 EDADLP CCCC[N@@H+](C)c1ccc(NC[C@@H](O)C[NH+]2CCN(C)CC2)cc1 ZINC000819438400 593754620 /nfs/dbraw/zinc/75/46/20/593754620.db2.gz UGRYVZLVCDBDPI-LJQANCHMSA-N 2 2 334.508 1.943 20 0 EDADLP CCCC[N@H+](C)c1ccc(NC[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000819438400 593754621 /nfs/dbraw/zinc/75/46/21/593754621.db2.gz UGRYVZLVCDBDPI-LJQANCHMSA-N 2 2 334.508 1.943 20 0 EDADLP CCCC[N@@H+](C)c1ccc(NC[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000819438400 593754622 /nfs/dbraw/zinc/75/46/22/593754622.db2.gz UGRYVZLVCDBDPI-LJQANCHMSA-N 2 2 334.508 1.943 20 0 EDADLP Fc1c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccnc1Cl ZINC000823847925 593872166 /nfs/dbraw/zinc/87/21/66/593872166.db2.gz NWWKUAFPQFWTOV-CQSZACIVSA-N 2 2 342.846 1.370 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000820807963 593895197 /nfs/dbraw/zinc/89/51/97/593895197.db2.gz UZQCNFMABNLWMP-SGIREYDYSA-N 2 2 328.416 1.494 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000820807963 593895198 /nfs/dbraw/zinc/89/51/98/593895198.db2.gz UZQCNFMABNLWMP-SGIREYDYSA-N 2 2 328.416 1.494 20 0 EDADLP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)Cc3[nH]cc[nH+]3)c2)CC1 ZINC000822501960 594058619 /nfs/dbraw/zinc/05/86/19/594058619.db2.gz AHEQIQCWJAYGQL-UHFFFAOYSA-N 2 2 341.415 1.288 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000825174358 594142302 /nfs/dbraw/zinc/14/23/02/594142302.db2.gz MLOCGAGSPLZPSU-DOTOQJQBSA-N 2 2 333.501 1.905 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000825174358 594142303 /nfs/dbraw/zinc/14/23/03/594142303.db2.gz MLOCGAGSPLZPSU-DOTOQJQBSA-N 2 2 333.501 1.905 20 0 EDADLP Cc1cnccc1/C=C/C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823282548 594180047 /nfs/dbraw/zinc/18/00/47/594180047.db2.gz SCJCAGHDLAZGLX-IDOMTICXSA-N 2 2 328.460 1.688 20 0 EDADLP Cc1cnccc1/C=C/C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823282548 594180050 /nfs/dbraw/zinc/18/00/50/594180050.db2.gz SCJCAGHDLAZGLX-IDOMTICXSA-N 2 2 328.460 1.688 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(c3nc(N)[nH+]c4c3CCCC4)CC2)S1 ZINC000825776967 594244118 /nfs/dbraw/zinc/24/41/18/594244118.db2.gz WSEXFTCELBRRRX-NSHDSACASA-N 2 2 332.477 1.551 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)c2cccs2)CC1 ZINC000825795688 594248995 /nfs/dbraw/zinc/24/89/95/594248995.db2.gz OYLDNDSECJNZIE-CABCVRRESA-N 2 2 336.505 1.280 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1)[NH+](C)C ZINC000830246911 594362084 /nfs/dbraw/zinc/36/20/84/594362084.db2.gz ILTAQVPYLSITGF-LBPRGKRZSA-N 2 2 347.488 1.937 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000830549417 594419782 /nfs/dbraw/zinc/41/97/82/594419782.db2.gz OHWVDBVHDSVRQC-KRWDZBQOSA-N 2 2 330.476 1.836 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000830549417 594419784 /nfs/dbraw/zinc/41/97/84/594419784.db2.gz OHWVDBVHDSVRQC-KRWDZBQOSA-N 2 2 330.476 1.836 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)c1cc(F)ccc1F)CCO2 ZINC000830636594 594444453 /nfs/dbraw/zinc/44/44/53/594444453.db2.gz DNIZBBFKGYJYON-INIZCTEOSA-N 2 2 326.387 1.795 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)c1cc(F)ccc1F)CCO2 ZINC000830636594 594444455 /nfs/dbraw/zinc/44/44/55/594444455.db2.gz DNIZBBFKGYJYON-INIZCTEOSA-N 2 2 326.387 1.795 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000826588708 594533642 /nfs/dbraw/zinc/53/36/42/594533642.db2.gz AKVCTXJMJSRDON-OALUTQOASA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000826588708 594533643 /nfs/dbraw/zinc/53/36/43/594533643.db2.gz AKVCTXJMJSRDON-OALUTQOASA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC000826588708 594533646 /nfs/dbraw/zinc/53/36/46/594533646.db2.gz AKVCTXJMJSRDON-OALUTQOASA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC000826588708 594533648 /nfs/dbraw/zinc/53/36/48/594533648.db2.gz AKVCTXJMJSRDON-OALUTQOASA-N 2 2 345.487 1.654 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000829235250 594585596 /nfs/dbraw/zinc/58/55/96/594585596.db2.gz CVDLIGIYKVLWRY-OAHLLOKOSA-N 2 2 332.448 1.016 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]([NH3+])C3CC3)c[nH+]2)C[C@@H](C)O1 ZINC000827086329 594637099 /nfs/dbraw/zinc/63/70/99/594637099.db2.gz LDIUEKIPEVONQY-XJKCOSOUSA-N 2 2 332.448 1.439 20 0 EDADLP C[C@H]1Cc2cc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)ccc2O1 ZINC000827414276 594669708 /nfs/dbraw/zinc/66/97/08/594669708.db2.gz RRTVJFVBCMGDIJ-YOEHRIQHSA-N 2 2 343.471 1.908 20 0 EDADLP C[C@H]1Cc2cc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)ccc2O1 ZINC000827414276 594669709 /nfs/dbraw/zinc/66/97/09/594669709.db2.gz RRTVJFVBCMGDIJ-YOEHRIQHSA-N 2 2 343.471 1.908 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000827429326 594671092 /nfs/dbraw/zinc/67/10/92/594671092.db2.gz BNJIUMMZFVBCGR-UHFFFAOYSA-N 2 2 334.508 1.101 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[NH+]1CCN(C)CC1 ZINC000832238884 594737216 /nfs/dbraw/zinc/73/72/16/594737216.db2.gz MXQLRCZLVFSYGI-KRWDZBQOSA-N 2 2 336.524 1.489 20 0 EDADLP CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000832628155 594765213 /nfs/dbraw/zinc/76/52/13/594765213.db2.gz BTXKFOOHSYGDEJ-QZTJIDSGSA-N 2 2 349.475 1.861 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000841064552 594846287 /nfs/dbraw/zinc/84/62/87/594846287.db2.gz YJSVDDQXCRENMV-MAUKXSAKSA-N 2 2 330.476 1.585 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000841672863 594934059 /nfs/dbraw/zinc/93/40/59/594934059.db2.gz STKQQFOZCIZXCH-HIFRSBDPSA-N 2 2 328.420 1.679 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1C ZINC000841759941 594948192 /nfs/dbraw/zinc/94/81/92/594948192.db2.gz CBORSEDUKOUVTH-LBPRGKRZSA-N 2 2 328.363 1.503 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000841759939 594948231 /nfs/dbraw/zinc/94/82/31/594948231.db2.gz CBORQFHLYDJEAJ-SFHVURJKSA-N 2 2 332.448 1.992 20 0 EDADLP CC[N@H+](CCC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1)CC1CC1 ZINC000867192797 594995304 /nfs/dbraw/zinc/99/53/04/594995304.db2.gz XLSBHUZEIJNBES-KRWDZBQOSA-N 2 2 334.464 1.804 20 0 EDADLP CC[N@@H+](CCC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1)CC1CC1 ZINC000867192797 594995305 /nfs/dbraw/zinc/99/53/05/594995305.db2.gz XLSBHUZEIJNBES-KRWDZBQOSA-N 2 2 334.464 1.804 20 0 EDADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)Nc1ccc2ccccc2c1 ZINC000843384943 595095998 /nfs/dbraw/zinc/09/59/98/595095998.db2.gz KSEBAZZEXKIAAI-IBGZPJMESA-N 2 2 338.455 1.758 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@@H+](C)[C@@H](C[NH3+])C3CC3)cc(=O)oc2c1 ZINC000843386407 595096533 /nfs/dbraw/zinc/09/65/33/595096533.db2.gz IFJMQWVUAFZVPQ-INIZCTEOSA-N 2 2 329.400 1.921 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@H+](C)[C@@H](C[NH3+])C3CC3)cc(=O)oc2c1 ZINC000843386407 595096535 /nfs/dbraw/zinc/09/65/35/595096535.db2.gz IFJMQWVUAFZVPQ-INIZCTEOSA-N 2 2 329.400 1.921 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000837423202 595107574 /nfs/dbraw/zinc/10/75/74/595107574.db2.gz DHHREVFADVXVQO-MRXNPFEDSA-N 2 2 342.447 1.891 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000837423202 595107575 /nfs/dbraw/zinc/10/75/75/595107575.db2.gz DHHREVFADVXVQO-MRXNPFEDSA-N 2 2 342.447 1.891 20 0 EDADLP O=C(NCCC1CC[NH2+]CC1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000846134388 595153882 /nfs/dbraw/zinc/15/38/82/595153882.db2.gz ARVDOTCDZYWFAN-UHFFFAOYSA-N 2 2 328.420 1.456 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000843069656 595280131 /nfs/dbraw/zinc/28/01/31/595280131.db2.gz UDMCRIYCYYLUKX-UKRRQHHQSA-N 2 2 348.365 1.663 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000843069656 595280133 /nfs/dbraw/zinc/28/01/33/595280133.db2.gz UDMCRIYCYYLUKX-UKRRQHHQSA-N 2 2 348.365 1.663 20 0 EDADLP [NH3+]Cc1cccc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000844180248 595294070 /nfs/dbraw/zinc/29/40/70/595294070.db2.gz NSNMDSRXAFDVCT-UHFFFAOYSA-N 2 2 325.412 1.809 20 0 EDADLP CCOC(=O)c1oc2ccccc2c1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846670315 595297304 /nfs/dbraw/zinc/29/73/04/595297304.db2.gz NXQBXXVSOOGVEF-AWEZNQCLSA-N 2 2 347.415 1.505 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(OCc2cccnc2)cc1 ZINC000846672261 595297771 /nfs/dbraw/zinc/29/77/71/595297771.db2.gz FEPYDIBVLPSNHU-QGZVFWFLSA-N 2 2 328.416 1.878 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000846674359 595298750 /nfs/dbraw/zinc/29/87/50/595298750.db2.gz NDQPFDJSCCCBQK-KRWDZBQOSA-N 3 2 333.480 1.046 20 0 EDADLP c1cn(-c2cccc(-c3noc(C[C@@H]4CSCC[NH2+]4)n3)n2)c[nH+]1 ZINC000843190520 595301895 /nfs/dbraw/zinc/30/18/95/595301895.db2.gz KABSMHLDPLJGBR-LLVKDONJSA-N 2 2 328.401 1.565 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846825457 595322034 /nfs/dbraw/zinc/32/20/34/595322034.db2.gz VOSCGJPQXUQRIU-CRAIPNDOSA-N 2 2 341.496 1.821 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846825457 595322035 /nfs/dbraw/zinc/32/20/35/595322035.db2.gz VOSCGJPQXUQRIU-CRAIPNDOSA-N 2 2 341.496 1.821 20 0 EDADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)cn2)c[nH+]1 ZINC000846933897 595339315 /nfs/dbraw/zinc/33/93/15/595339315.db2.gz JBTYYFXKCIVMID-QGZVFWFLSA-N 2 2 327.432 1.564 20 0 EDADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](N4CCOCC4)C3)cn2)c[nH+]1 ZINC000846933897 595339318 /nfs/dbraw/zinc/33/93/18/595339318.db2.gz JBTYYFXKCIVMID-QGZVFWFLSA-N 2 2 327.432 1.564 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000844646576 595367023 /nfs/dbraw/zinc/36/70/23/595367023.db2.gz VEZIPDPQEHAIPV-OAGGEKHMSA-N 2 2 347.507 1.572 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000844646576 595367026 /nfs/dbraw/zinc/36/70/26/595367026.db2.gz VEZIPDPQEHAIPV-OAGGEKHMSA-N 2 2 347.507 1.572 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000844646570 595367075 /nfs/dbraw/zinc/36/70/75/595367075.db2.gz VEZIPDPQEHAIPV-ARFHVFGLSA-N 2 2 347.507 1.572 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000844646570 595367078 /nfs/dbraw/zinc/36/70/78/595367078.db2.gz VEZIPDPQEHAIPV-ARFHVFGLSA-N 2 2 347.507 1.572 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[S@@](=O)CC)CC2)CC1 ZINC000847480781 595430776 /nfs/dbraw/zinc/43/07/76/595430776.db2.gz PRYPPYCLSTWOAD-QHCPKHFHSA-N 2 2 343.537 1.068 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(Cl)c(F)c1 ZINC000847489158 595432282 /nfs/dbraw/zinc/43/22/82/595432282.db2.gz KGWZGYHODMFOOS-UHFFFAOYSA-N 2 2 342.846 1.972 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(Cl)c(F)c1 ZINC000847489158 595432285 /nfs/dbraw/zinc/43/22/85/595432285.db2.gz KGWZGYHODMFOOS-UHFFFAOYSA-N 2 2 342.846 1.972 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848776590 595445334 /nfs/dbraw/zinc/44/53/34/595445334.db2.gz JUIIDBWRDBGTSF-FUHWJXTLSA-N 2 2 332.444 1.772 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848776590 595445336 /nfs/dbraw/zinc/44/53/36/595445336.db2.gz JUIIDBWRDBGTSF-FUHWJXTLSA-N 2 2 332.444 1.772 20 0 EDADLP COC(=O)/C=C/c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000848884418 595462591 /nfs/dbraw/zinc/46/25/91/595462591.db2.gz LFPKESRYNJJXEO-WAVCKPEOSA-N 2 2 347.459 1.678 20 0 EDADLP COC(=O)/C=C/c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000848884418 595462592 /nfs/dbraw/zinc/46/25/92/595462592.db2.gz LFPKESRYNJJXEO-WAVCKPEOSA-N 2 2 347.459 1.678 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NCCc1ccc(F)cc1 ZINC000849280566 595500361 /nfs/dbraw/zinc/50/03/61/595500361.db2.gz WTKYGWTURWSBMW-UHFFFAOYSA-N 2 2 340.512 1.716 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NCCc1ccc(F)cc1 ZINC000849280566 595500362 /nfs/dbraw/zinc/50/03/62/595500362.db2.gz WTKYGWTURWSBMW-UHFFFAOYSA-N 2 2 340.512 1.716 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=S)NCC(C)(C)C[NH+](C)C)[C@@H](C)CO1 ZINC000849280653 595500414 /nfs/dbraw/zinc/50/04/14/595500414.db2.gz FOYIKIREVSSXCH-KBPBESRZSA-N 2 2 330.542 1.148 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=S)NCC(C)(C)C[NH+](C)C)[C@@H](C)CO1 ZINC000849280653 595500416 /nfs/dbraw/zinc/50/04/16/595500416.db2.gz FOYIKIREVSSXCH-KBPBESRZSA-N 2 2 330.542 1.148 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108551477 595513362 /nfs/dbraw/zinc/51/33/62/595513362.db2.gz VNTBNUBDKPIFQW-MRXNPFEDSA-N 2 2 340.431 1.551 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108551477 595513363 /nfs/dbraw/zinc/51/33/63/595513363.db2.gz VNTBNUBDKPIFQW-MRXNPFEDSA-N 2 2 340.431 1.551 20 0 EDADLP O=C(C=C1CC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000852855835 595577859 /nfs/dbraw/zinc/57/78/59/595577859.db2.gz PETAHBGGXPTCBL-UHFFFAOYSA-N 2 2 329.444 1.519 20 0 EDADLP C[NH+]1CCC(CNC(=O)C=C2CC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000852873503 595592420 /nfs/dbraw/zinc/59/24/20/595592420.db2.gz WWNPRUMDLUEAJG-UHFFFAOYSA-N 3 2 334.508 1.363 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CCCC[NH+]1CCCC1)C(C)(C)CO ZINC000855113014 595600193 /nfs/dbraw/zinc/60/01/93/595600193.db2.gz BPSOCNWRZIYVFV-INIZCTEOSA-N 2 2 336.480 1.862 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858109673 595702388 /nfs/dbraw/zinc/70/23/88/595702388.db2.gz ZQHVQIBIJKWWSZ-UHFFFAOYSA-N 2 2 331.258 1.383 20 0 EDADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[N@H+](CC)C1 ZINC000853270160 595724218 /nfs/dbraw/zinc/72/42/18/595724218.db2.gz LNDQNHLXBZGTFP-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000853270160 595724222 /nfs/dbraw/zinc/72/42/22/595724222.db2.gz LNDQNHLXBZGTFP-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000853605035 595827688 /nfs/dbraw/zinc/82/76/88/595827688.db2.gz CIIUJIHUQSEKDD-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000853605035 595827690 /nfs/dbraw/zinc/82/76/90/595827690.db2.gz CIIUJIHUQSEKDD-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CCO1 ZINC000853605035 595827693 /nfs/dbraw/zinc/82/76/93/595827693.db2.gz CIIUJIHUQSEKDD-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CCO1 ZINC000853605035 595827696 /nfs/dbraw/zinc/82/76/96/595827696.db2.gz CIIUJIHUQSEKDD-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP Nc1ncccc1CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000853685363 595855279 /nfs/dbraw/zinc/85/52/79/595855279.db2.gz GWNYKVCDPHKHOP-MRXNPFEDSA-N 2 2 341.415 1.563 20 0 EDADLP Nc1ncccc1CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000853685363 595855281 /nfs/dbraw/zinc/85/52/81/595855281.db2.gz GWNYKVCDPHKHOP-MRXNPFEDSA-N 2 2 341.415 1.563 20 0 EDADLP C[C@H](O[NH+]=C(N)CCO)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000853687305 595856156 /nfs/dbraw/zinc/85/61/56/595856156.db2.gz OEYPPRSTWTZUBB-AWEZNQCLSA-N 2 2 348.447 1.037 20 0 EDADLP CNC(=O)c1ccc(C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2CC2)cc1 ZINC000851709797 595892895 /nfs/dbraw/zinc/89/28/95/595892895.db2.gz ABWDDWTUXOIJPF-SFHVURJKSA-N 2 2 333.476 1.712 20 0 EDADLP CNC(=O)c1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2CC2)cc1 ZINC000851709797 595892897 /nfs/dbraw/zinc/89/28/97/595892897.db2.gz ABWDDWTUXOIJPF-SFHVURJKSA-N 2 2 333.476 1.712 20 0 EDADLP CNC(=O)c1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2CC2)cc1 ZINC000851709797 595892899 /nfs/dbraw/zinc/89/28/99/595892899.db2.gz ABWDDWTUXOIJPF-SFHVURJKSA-N 2 2 333.476 1.712 20 0 EDADLP CNC(=O)c1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2CC2)cc1 ZINC000851709797 595892900 /nfs/dbraw/zinc/89/29/00/595892900.db2.gz ABWDDWTUXOIJPF-SFHVURJKSA-N 2 2 333.476 1.712 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(Br)cs1 ZINC000853825787 595893222 /nfs/dbraw/zinc/89/32/22/595893222.db2.gz UZNRECICVXHWSZ-UHFFFAOYSA-N 2 2 349.298 1.519 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(Br)cs1 ZINC000853825787 595893223 /nfs/dbraw/zinc/89/32/23/595893223.db2.gz UZNRECICVXHWSZ-UHFFFAOYSA-N 2 2 349.298 1.519 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000851940764 595978226 /nfs/dbraw/zinc/97/82/26/595978226.db2.gz BZSIRDOFQCPUGX-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000851940764 595978227 /nfs/dbraw/zinc/97/82/27/595978227.db2.gz BZSIRDOFQCPUGX-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C)c2[nH+]ccn2C)cn1 ZINC000851976856 595993698 /nfs/dbraw/zinc/99/36/98/595993698.db2.gz LPQRNJLYCGTZJC-GFCCVEGCSA-N 2 2 339.403 1.870 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000852046729 596022969 /nfs/dbraw/zinc/02/29/69/596022969.db2.gz VVNSFBUQRVBJJN-CVEARBPZSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000852046729 596022974 /nfs/dbraw/zinc/02/29/74/596022974.db2.gz VVNSFBUQRVBJJN-CVEARBPZSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000852046729 596022978 /nfs/dbraw/zinc/02/29/78/596022978.db2.gz VVNSFBUQRVBJJN-CVEARBPZSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000852046729 596022982 /nfs/dbraw/zinc/02/29/82/596022982.db2.gz VVNSFBUQRVBJJN-CVEARBPZSA-N 2 2 329.485 1.677 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@]3(C)Br)C2)CC1 ZINC000859337858 596055724 /nfs/dbraw/zinc/05/57/24/596055724.db2.gz SKNVNVBULGJSBK-LNSITVRQSA-N 2 2 344.297 1.445 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@]3(C)Br)C2)CC1 ZINC000859337858 596055728 /nfs/dbraw/zinc/05/57/28/596055728.db2.gz SKNVNVBULGJSBK-LNSITVRQSA-N 2 2 344.297 1.445 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC[C@H](C)[NH3+])CC2)c1 ZINC000857113456 596160255 /nfs/dbraw/zinc/16/02/55/596160255.db2.gz WVCZRAWJZBIKKM-LSDHHAIUSA-N 2 2 334.464 1.821 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000854725942 596176010 /nfs/dbraw/zinc/17/60/10/596176010.db2.gz CWXMDXFKDGCNFQ-CRAIPNDOSA-N 2 2 341.471 1.522 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000854725942 596176012 /nfs/dbraw/zinc/17/60/12/596176012.db2.gz CWXMDXFKDGCNFQ-CRAIPNDOSA-N 2 2 341.471 1.522 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C[C@@H]1C ZINC000862098272 596204116 /nfs/dbraw/zinc/20/41/16/596204116.db2.gz LTCUXDCFJXUZLY-OWCLPIDISA-N 2 2 334.464 1.322 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C[C@@H]1C ZINC000862098272 596204119 /nfs/dbraw/zinc/20/41/19/596204119.db2.gz LTCUXDCFJXUZLY-OWCLPIDISA-N 2 2 334.464 1.322 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866613622 596268495 /nfs/dbraw/zinc/26/84/95/596268495.db2.gz IOLCZVHTWQXTNT-AWEZNQCLSA-N 2 2 347.450 1.315 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866613622 596268497 /nfs/dbraw/zinc/26/84/97/596268497.db2.gz IOLCZVHTWQXTNT-AWEZNQCLSA-N 2 2 347.450 1.315 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000864629856 596290297 /nfs/dbraw/zinc/29/02/97/596290297.db2.gz DCBJPKTXTFQCIC-WEBJUUICSA-N 2 2 329.444 1.266 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000864629856 596290299 /nfs/dbraw/zinc/29/02/99/596290299.db2.gz DCBJPKTXTFQCIC-WEBJUUICSA-N 2 2 329.444 1.266 20 0 EDADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000866683280 596293371 /nfs/dbraw/zinc/29/33/71/596293371.db2.gz RSQGWFNBEDHYFC-GOSISDBHSA-N 2 2 333.476 1.783 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C/c3cncc(O)c3)c2)CC1 ZINC000870667437 596315415 /nfs/dbraw/zinc/31/54/15/596315415.db2.gz XNWXEANIZZPNRS-NSCUHMNNSA-N 2 2 339.399 1.586 20 0 EDADLP O=C(CC[NH2+]CC1CC1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000870854950 596378275 /nfs/dbraw/zinc/37/82/75/596378275.db2.gz MVNACHADZZTYLP-HNNXBMFYSA-N 2 2 337.489 1.627 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000870862819 596381195 /nfs/dbraw/zinc/38/11/95/596381195.db2.gz BDFCMRLWIFHWEI-DODZYUBVSA-N 2 2 329.444 1.304 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000870862830 596381313 /nfs/dbraw/zinc/38/13/13/596381313.db2.gz BVHSRHUHRCKISJ-KSZLIROESA-N 2 2 331.460 1.694 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864855652 596390365 /nfs/dbraw/zinc/39/03/65/596390365.db2.gz APPQCVKPELONIJ-QGZVFWFLSA-N 2 2 328.416 1.486 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864855652 596390368 /nfs/dbraw/zinc/39/03/68/596390368.db2.gz APPQCVKPELONIJ-QGZVFWFLSA-N 2 2 328.416 1.486 20 0 EDADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000870974692 596423449 /nfs/dbraw/zinc/42/34/49/596423449.db2.gz NEBQJALBNQEBBB-GGPHIMKMSA-N 2 2 343.471 1.779 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000870979543 596426792 /nfs/dbraw/zinc/42/67/92/596426792.db2.gz OGWREGSBAFWMBC-MSOLQXFVSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C[C@H]3CCC[NH2+]3)C2)cc1 ZINC000870979543 596426795 /nfs/dbraw/zinc/42/67/95/596426795.db2.gz OGWREGSBAFWMBC-MSOLQXFVSA-N 2 2 331.460 1.454 20 0 EDADLP CN1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)Cc2ccc[nH+]c21 ZINC000871020716 596440939 /nfs/dbraw/zinc/44/09/39/596440939.db2.gz ITWFDHYQIGPJQV-FQEVSTJZSA-N 2 2 336.439 1.791 20 0 EDADLP CC(=O)Nc1cc(F)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000869242014 596458624 /nfs/dbraw/zinc/45/86/24/596458624.db2.gz HAKMOYHBRYXQQU-UHFFFAOYSA-N 2 2 338.427 1.397 20 0 EDADLP CC(=O)Nc1cc(F)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000869242014 596458630 /nfs/dbraw/zinc/45/86/30/596458630.db2.gz HAKMOYHBRYXQQU-UHFFFAOYSA-N 2 2 338.427 1.397 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871219467 596501721 /nfs/dbraw/zinc/50/17/21/596501721.db2.gz CPYFOTFNIGCWAQ-UHFFFAOYSA-N 2 2 347.507 1.675 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871219467 596501723 /nfs/dbraw/zinc/50/17/23/596501723.db2.gz CPYFOTFNIGCWAQ-UHFFFAOYSA-N 2 2 347.507 1.675 20 0 EDADLP CCn1cc(NC(=S)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC000865253705 596525390 /nfs/dbraw/zinc/52/53/90/596525390.db2.gz NPHGDBKLYFWUPL-UHFFFAOYSA-N 2 2 345.476 1.859 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000867760898 596536625 /nfs/dbraw/zinc/53/66/25/596536625.db2.gz OQQRCPZPYYZWHV-HNNXBMFYSA-N 2 2 338.477 1.148 20 0 EDADLP Nc1nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc(C2CCCC2)[nH+]1 ZINC000865624129 596630826 /nfs/dbraw/zinc/63/08/26/596630826.db2.gz JHGOLWQMCWCYAH-CQSZACIVSA-N 2 2 332.452 1.777 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867997939 596648093 /nfs/dbraw/zinc/64/80/93/596648093.db2.gz MPHLFUQIGNLPLK-QYZOEREBSA-N 2 2 345.487 1.700 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000867997939 596648094 /nfs/dbraw/zinc/64/80/94/596648094.db2.gz MPHLFUQIGNLPLK-QYZOEREBSA-N 2 2 345.487 1.700 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)CC[C@H]21 ZINC000868029935 596660833 /nfs/dbraw/zinc/66/08/33/596660833.db2.gz FORYFKGRTFWGNY-HZPDHXFCSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)CC[C@H]21 ZINC000868029935 596660834 /nfs/dbraw/zinc/66/08/34/596660834.db2.gz FORYFKGRTFWGNY-HZPDHXFCSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)cc2C1 ZINC000868037657 596663901 /nfs/dbraw/zinc/66/39/01/596663901.db2.gz VJSXZIWUWWWLFN-SFHVURJKSA-N 2 2 325.416 1.198 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)cc2C1 ZINC000868037657 596663903 /nfs/dbraw/zinc/66/39/03/596663903.db2.gz VJSXZIWUWWWLFN-SFHVURJKSA-N 2 2 325.416 1.198 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3[C@H]3CCCO3)C2)CC1 ZINC000865749553 596669714 /nfs/dbraw/zinc/66/97/14/596669714.db2.gz FEQKWPUEPARJIW-CZUORRHYSA-N 2 2 347.463 1.160 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3[C@H]3CCCO3)C2)CC1 ZINC000865749553 596669718 /nfs/dbraw/zinc/66/97/18/596669718.db2.gz FEQKWPUEPARJIW-CZUORRHYSA-N 2 2 347.463 1.160 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000865817892 596695274 /nfs/dbraw/zinc/69/52/74/596695274.db2.gz IFXQNOXIXLKJKE-UHFFFAOYSA-N 2 2 334.445 1.070 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C2([NH+](C)C)CCC2)[NH+]2CCOCC2)cc1 ZINC000119646097 596697625 /nfs/dbraw/zinc/69/76/25/596697625.db2.gz CHAPPMCECQAYRE-SFHVURJKSA-N 2 2 345.487 1.969 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870080784 596739421 /nfs/dbraw/zinc/73/94/21/596739421.db2.gz ANTHDFGHFIICHF-SFHVURJKSA-N 2 2 347.459 1.368 20 0 EDADLP Cc1cc(CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc(C)[nH+]1 ZINC000868253851 596749727 /nfs/dbraw/zinc/74/97/27/596749727.db2.gz QWOUKVYRAJBQSG-DLBZAZTESA-N 2 2 338.411 1.768 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c[nH+]1 ZINC000864086862 596752105 /nfs/dbraw/zinc/75/21/05/596752105.db2.gz KLKFQMABVJZCOP-NEPJUHHUSA-N 2 2 332.370 1.912 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c[nH+]1 ZINC000864086864 596752147 /nfs/dbraw/zinc/75/21/47/596752147.db2.gz KLKFQMABVJZCOP-NWDGAFQWSA-N 2 2 332.370 1.912 20 0 EDADLP C[NH+](C)C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@H]1C[NH+](C)C ZINC000866010470 596757003 /nfs/dbraw/zinc/75/70/03/596757003.db2.gz JOVCLEPTRSCWMC-HUUCEWRRSA-N 3 2 327.476 1.993 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[NH2+]2)cc1 ZINC000870142427 596768883 /nfs/dbraw/zinc/76/88/83/596768883.db2.gz KDEYJCACCJRTCF-CRAIPNDOSA-N 2 2 340.427 1.627 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@H](C)[NH+]3CCSCC3)CC[NH2+]2)c1 ZINC000870150989 596774748 /nfs/dbraw/zinc/77/47/48/596774748.db2.gz RASFUXCLZPKJBE-WMLDXEAASA-N 2 2 349.500 1.605 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[NH2+]2)c1 ZINC000870152722 596776807 /nfs/dbraw/zinc/77/68/07/596776807.db2.gz DKCZXFLVYGIVAX-GUYCJALGSA-N 2 2 328.416 1.770 20 0 EDADLP CC1(C)CCc2onc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)c2C1 ZINC000872144176 596809195 /nfs/dbraw/zinc/80/91/95/596809195.db2.gz WUROFJGXWWATDZ-CQSZACIVSA-N 2 2 346.475 1.586 20 0 EDADLP CC1(C)CCc2onc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)c2C1 ZINC000872144176 596809199 /nfs/dbraw/zinc/80/91/99/596809199.db2.gz WUROFJGXWWATDZ-CQSZACIVSA-N 2 2 346.475 1.586 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)nc12 ZINC000872147575 596811293 /nfs/dbraw/zinc/81/12/93/596811293.db2.gz JYWKNNRLSALFCS-AAEUAGOBSA-N 2 2 340.349 1.572 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)nc12 ZINC000872147575 596811294 /nfs/dbraw/zinc/81/12/94/596811294.db2.gz JYWKNNRLSALFCS-AAEUAGOBSA-N 2 2 340.349 1.572 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000872151131 596813350 /nfs/dbraw/zinc/81/33/50/596813350.db2.gz AQLDJEUBXBJJFC-KBXCAEBGSA-N 2 2 330.432 1.493 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C ZINC000872151131 596813352 /nfs/dbraw/zinc/81/33/52/596813352.db2.gz AQLDJEUBXBJJFC-KBXCAEBGSA-N 2 2 330.432 1.493 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000868382758 596814539 /nfs/dbraw/zinc/81/45/39/596814539.db2.gz KLHGNUBRYGFXCP-HOTGVXAUSA-N 2 2 349.523 1.033 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000868382758 596814541 /nfs/dbraw/zinc/81/45/41/596814541.db2.gz KLHGNUBRYGFXCP-HOTGVXAUSA-N 2 2 349.523 1.033 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000872154349 596814955 /nfs/dbraw/zinc/81/49/55/596814955.db2.gz XVSWAZVKYNDNPX-QFBILLFUSA-N 2 2 330.476 1.170 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccccc1 ZINC000872154349 596814957 /nfs/dbraw/zinc/81/49/57/596814957.db2.gz XVSWAZVKYNDNPX-QFBILLFUSA-N 2 2 330.476 1.170 20 0 EDADLP CSC1(CNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC[NH+](C)CC1 ZINC000868440675 596838008 /nfs/dbraw/zinc/83/80/08/596838008.db2.gz LMQUEWFAZFLDNI-CYBMUJFWSA-N 2 2 349.491 1.907 20 0 EDADLP CSC1(CNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC[NH+](C)CC1 ZINC000868440675 596838010 /nfs/dbraw/zinc/83/80/10/596838010.db2.gz LMQUEWFAZFLDNI-CYBMUJFWSA-N 2 2 349.491 1.907 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866253814 596838198 /nfs/dbraw/zinc/83/81/98/596838198.db2.gz NGZDEZXHSNABST-KSZLIROESA-N 2 2 337.508 1.866 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866253814 596838202 /nfs/dbraw/zinc/83/82/02/596838202.db2.gz NGZDEZXHSNABST-KSZLIROESA-N 2 2 337.508 1.866 20 0 EDADLP CCCCNc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)nc(N)[nH+]1 ZINC000866258215 596839784 /nfs/dbraw/zinc/83/97/84/596839784.db2.gz RRPOHTAYUNJNMP-UHFFFAOYSA-N 2 2 348.495 1.819 20 0 EDADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000866284727 596847181 /nfs/dbraw/zinc/84/71/81/596847181.db2.gz AKNRJYHVGGNZKO-WBVHZDCISA-N 2 2 328.416 1.566 20 0 EDADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000866284727 596847184 /nfs/dbraw/zinc/84/71/84/596847184.db2.gz AKNRJYHVGGNZKO-WBVHZDCISA-N 2 2 328.416 1.566 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000868519534 596870745 /nfs/dbraw/zinc/87/07/45/596870745.db2.gz HYQCBKHVIFOTIT-GOEBONIOSA-N 2 2 325.416 1.684 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000868519534 596870747 /nfs/dbraw/zinc/87/07/47/596870747.db2.gz HYQCBKHVIFOTIT-GOEBONIOSA-N 2 2 325.416 1.684 20 0 EDADLP C[C@@H]1C[N@H+](CN2CCC3(CCCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000872596494 596981643 /nfs/dbraw/zinc/98/16/43/596981643.db2.gz XDWAZGNOVRHILX-QZTJIDSGSA-N 2 2 348.535 1.694 20 0 EDADLP C[C@@H]1C[N@@H+](CN2CCC3(CCCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000872596494 596981645 /nfs/dbraw/zinc/98/16/45/596981645.db2.gz XDWAZGNOVRHILX-QZTJIDSGSA-N 2 2 348.535 1.694 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CCO[C@@H](C(F)F)CC1)C[NH+]1CCC2CC1 ZINC000872680487 597029333 /nfs/dbraw/zinc/02/93/33/597029333.db2.gz IFKZRBZKMQSZHS-CJNGLKHVSA-N 2 2 345.390 1.217 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CCO[C@@H](C(F)F)CC1)C[NH+]1CCC2CC1 ZINC000872680487 597029337 /nfs/dbraw/zinc/02/93/37/597029337.db2.gz IFKZRBZKMQSZHS-CJNGLKHVSA-N 2 2 345.390 1.217 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000874466418 597092228 /nfs/dbraw/zinc/09/22/28/597092228.db2.gz OLNHATSEVRGCDW-QZTJIDSGSA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000874466418 597092233 /nfs/dbraw/zinc/09/22/33/597092233.db2.gz OLNHATSEVRGCDW-QZTJIDSGSA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCN(C)CC1 ZINC000874466418 597092236 /nfs/dbraw/zinc/09/22/36/597092236.db2.gz OLNHATSEVRGCDW-QZTJIDSGSA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+]1C1CCCC1)[NH+]1CCN(C)CC1 ZINC000874466418 597092239 /nfs/dbraw/zinc/09/22/39/597092239.db2.gz OLNHATSEVRGCDW-QZTJIDSGSA-N 2 2 336.524 1.392 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000874511045 597103311 /nfs/dbraw/zinc/10/33/11/597103311.db2.gz KZIQASNBYXVNOA-FXAWDEMLSA-N 2 2 338.455 1.943 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000874511045 597103314 /nfs/dbraw/zinc/10/33/14/597103314.db2.gz KZIQASNBYXVNOA-FXAWDEMLSA-N 2 2 338.455 1.943 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874889463 597210722 /nfs/dbraw/zinc/21/07/22/597210722.db2.gz KWZUNESBFZCXNG-GDBMZVCRSA-N 2 2 328.391 1.758 20 0 EDADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc2c1OCO2 ZINC000873227936 597234028 /nfs/dbraw/zinc/23/40/28/597234028.db2.gz PGHIATIEAHTXFV-GHMZBOCLSA-N 2 2 332.322 1.993 20 0 EDADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc2c1OCO2 ZINC000873227936 597234029 /nfs/dbraw/zinc/23/40/29/597234029.db2.gz PGHIATIEAHTXFV-GHMZBOCLSA-N 2 2 332.322 1.993 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000873237677 597236090 /nfs/dbraw/zinc/23/60/90/597236090.db2.gz SRCCUYXYTSVTHQ-GXTWGEPZSA-N 2 2 325.478 1.763 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873250781 597240428 /nfs/dbraw/zinc/24/04/28/597240428.db2.gz SFSVTYMIXRTHLX-JKQORVJESA-N 2 2 338.473 1.348 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000875041058 597256758 /nfs/dbraw/zinc/25/67/58/597256758.db2.gz CROJIJFAQITCCO-MRXNPFEDSA-N 2 2 345.447 1.287 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000875041058 597256761 /nfs/dbraw/zinc/25/67/61/597256761.db2.gz CROJIJFAQITCCO-MRXNPFEDSA-N 2 2 345.447 1.287 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(S(N)(=O)=O)c2)C[C@H]1C ZINC000876757055 597325488 /nfs/dbraw/zinc/32/54/88/597325488.db2.gz AVLYCCBGGLNZNE-HIFRSBDPSA-N 2 2 325.478 1.639 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(S(N)(=O)=O)c2)C[C@H]1C ZINC000876757055 597325492 /nfs/dbraw/zinc/32/54/92/597325492.db2.gz AVLYCCBGGLNZNE-HIFRSBDPSA-N 2 2 325.478 1.639 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(S(N)(=O)=O)c2)C[C@H]1C ZINC000876757055 597325496 /nfs/dbraw/zinc/32/54/96/597325496.db2.gz AVLYCCBGGLNZNE-HIFRSBDPSA-N 2 2 325.478 1.639 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(S(N)(=O)=O)c2)C[C@H]1C ZINC000876757055 597325500 /nfs/dbraw/zinc/32/55/00/597325500.db2.gz AVLYCCBGGLNZNE-HIFRSBDPSA-N 2 2 325.478 1.639 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000876892586 597372798 /nfs/dbraw/zinc/37/27/98/597372798.db2.gz LBPVTHNZTOOHFI-MSQAHXEGSA-N 2 2 341.377 1.774 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000876892586 597372803 /nfs/dbraw/zinc/37/28/03/597372803.db2.gz LBPVTHNZTOOHFI-MSQAHXEGSA-N 2 2 341.377 1.774 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000876893445 597372809 /nfs/dbraw/zinc/37/28/09/597372809.db2.gz OWVBLTUVKMOIDE-GSVCSZOMSA-N 2 2 345.340 1.666 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000876893445 597372811 /nfs/dbraw/zinc/37/28/11/597372811.db2.gz OWVBLTUVKMOIDE-GSVCSZOMSA-N 2 2 345.340 1.666 20 0 EDADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876948276 597393005 /nfs/dbraw/zinc/39/30/05/597393005.db2.gz KJIHZLMTFRCYEQ-UHFFFAOYSA-N 2 2 325.478 1.687 20 0 EDADLP CCc1c[nH]c(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC000873822028 597404897 /nfs/dbraw/zinc/40/48/97/597404897.db2.gz XMTVDEXQAVNPHH-UHFFFAOYSA-N 2 2 327.432 1.905 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ncc(Cl)s2)CC1 ZINC000875428684 597424601 /nfs/dbraw/zinc/42/46/01/597424601.db2.gz QEZAGNUNZNUUTI-UHFFFAOYSA-N 2 2 345.900 1.622 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877201688 597460460 /nfs/dbraw/zinc/46/04/60/597460460.db2.gz NDAXTWOMEFYGHL-ZFWWWQNUSA-N 2 2 338.452 1.199 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3[NH2+]CCC3(C)C)C2)c1 ZINC000877249220 597478958 /nfs/dbraw/zinc/47/89/58/597478958.db2.gz TXHRTNYZQNGCHC-ROUUACIJSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3[NH2+]CCC3(C)C)C2)c1 ZINC000877249220 597478959 /nfs/dbraw/zinc/47/89/59/597478959.db2.gz TXHRTNYZQNGCHC-ROUUACIJSA-N 2 2 345.487 1.700 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C(F)(F)F ZINC000877357861 597500318 /nfs/dbraw/zinc/50/03/18/597500318.db2.gz AJSPPGIFTGSHHP-ZYHUDNBSSA-N 2 2 339.321 1.477 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000877398560 597509655 /nfs/dbraw/zinc/50/96/55/597509655.db2.gz GJNHGGHAQJSGMY-KBPBESRZSA-N 2 2 329.485 1.582 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000877398560 597509656 /nfs/dbraw/zinc/50/96/56/597509656.db2.gz GJNHGGHAQJSGMY-KBPBESRZSA-N 2 2 329.485 1.582 20 0 EDADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@@H]21 ZINC000879578721 597641179 /nfs/dbraw/zinc/64/11/79/597641179.db2.gz GRJQAABYRATKAH-PMPSAXMXSA-N 2 2 339.480 1.648 20 0 EDADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@@H]21 ZINC000879578721 597641183 /nfs/dbraw/zinc/64/11/83/597641183.db2.gz GRJQAABYRATKAH-PMPSAXMXSA-N 2 2 339.480 1.648 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@@H]21 ZINC000879578721 597641185 /nfs/dbraw/zinc/64/11/85/597641185.db2.gz GRJQAABYRATKAH-PMPSAXMXSA-N 2 2 339.480 1.648 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@@H]21 ZINC000879578721 597641189 /nfs/dbraw/zinc/64/11/89/597641189.db2.gz GRJQAABYRATKAH-PMPSAXMXSA-N 2 2 339.480 1.648 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000878675361 597675641 /nfs/dbraw/zinc/67/56/41/597675641.db2.gz OQTMSIDZPGAYAH-RYUDHWBXSA-N 2 2 330.354 1.305 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000878675361 597675642 /nfs/dbraw/zinc/67/56/42/597675642.db2.gz OQTMSIDZPGAYAH-RYUDHWBXSA-N 2 2 330.354 1.305 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878693485 597680915 /nfs/dbraw/zinc/68/09/15/597680915.db2.gz AYEDUCRDOVYZKE-KRWDZBQOSA-N 2 2 338.492 1.541 20 0 EDADLP CC1(C)CC[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)OC1 ZINC000883249353 597693969 /nfs/dbraw/zinc/69/39/69/597693969.db2.gz CYKOKSYVJASILJ-SFHVURJKSA-N 2 2 339.524 1.578 20 0 EDADLP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)OC1 ZINC000883249353 597693973 /nfs/dbraw/zinc/69/39/73/597693973.db2.gz CYKOKSYVJASILJ-SFHVURJKSA-N 2 2 339.524 1.578 20 0 EDADLP O=S1(=O)CCC[C@H]1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000883297902 597705193 /nfs/dbraw/zinc/70/51/93/597705193.db2.gz CLBSUMZZQYPAOI-AWEZNQCLSA-N 2 2 325.459 1.991 20 0 EDADLP CSc1nccnc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167483 597838936 /nfs/dbraw/zinc/83/89/36/597838936.db2.gz JYEFSBHURFHPMK-AWEZNQCLSA-N 2 2 349.504 1.439 20 0 EDADLP CSc1nccnc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167483 597838939 /nfs/dbraw/zinc/83/89/39/597838939.db2.gz JYEFSBHURFHPMK-AWEZNQCLSA-N 2 2 349.504 1.439 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131964 597850065 /nfs/dbraw/zinc/85/00/65/597850065.db2.gz CXLHKPOZOLHQNU-HZPDHXFCSA-N 2 2 330.432 1.283 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131964 597850068 /nfs/dbraw/zinc/85/00/68/597850068.db2.gz CXLHKPOZOLHQNU-HZPDHXFCSA-N 2 2 330.432 1.283 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131964 597850070 /nfs/dbraw/zinc/85/00/70/597850070.db2.gz CXLHKPOZOLHQNU-HZPDHXFCSA-N 2 2 330.432 1.283 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131964 597850072 /nfs/dbraw/zinc/85/00/72/597850072.db2.gz CXLHKPOZOLHQNU-HZPDHXFCSA-N 2 2 330.432 1.283 20 0 EDADLP CC(C)(O)[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000880143827 597855413 /nfs/dbraw/zinc/85/54/13/597855413.db2.gz QKFFOEQMAAWLIQ-MRXNPFEDSA-N 2 2 346.475 1.213 20 0 EDADLP CC(C)(O)[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000880143827 597855417 /nfs/dbraw/zinc/85/54/17/597855417.db2.gz QKFFOEQMAAWLIQ-MRXNPFEDSA-N 2 2 346.475 1.213 20 0 EDADLP CC(C)(C)OCCC[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000880413596 597926410 /nfs/dbraw/zinc/92/64/10/597926410.db2.gz PFWYKHFHMOWEIH-HDICACEKSA-N 2 2 339.524 1.672 20 0 EDADLP CC(C)(C)OCCC[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000880413596 597926413 /nfs/dbraw/zinc/92/64/13/597926413.db2.gz PFWYKHFHMOWEIH-HDICACEKSA-N 2 2 339.524 1.672 20 0 EDADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000882872365 598090497 /nfs/dbraw/zinc/09/04/97/598090497.db2.gz CYZSPNYATMOCNY-ROUUACIJSA-N 2 2 339.443 1.131 20 0 EDADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000882872365 598090499 /nfs/dbraw/zinc/09/04/99/598090499.db2.gz CYZSPNYATMOCNY-ROUUACIJSA-N 2 2 339.443 1.131 20 0 EDADLP CC(C)c1ocnc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939856200 699994753 /nfs/dbraw/zinc/99/47/53/699994753.db2.gz KMTJETIGGXJFAY-HIFRSBDPSA-N 2 2 331.420 1.631 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CC)C[NH+]2CCOCC2)C1 ZINC000914338536 695370004 /nfs/dbraw/zinc/37/00/04/695370004.db2.gz YJRTZQDRUFVFEM-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](CC)C[NH+]2CCOCC2)C1 ZINC000914338536 695370005 /nfs/dbraw/zinc/37/00/05/695370005.db2.gz YJRTZQDRUFVFEM-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP Cn1nccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992829032 695388808 /nfs/dbraw/zinc/38/88/08/695388808.db2.gz CGBFEBHYFJJFLG-KBRIMQKVSA-N 2 2 342.447 1.103 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccccn3)[C@@H]2C1 ZINC000992833503 695394100 /nfs/dbraw/zinc/39/41/00/695394100.db2.gz LPKPHDCWUBUPMM-BMGDILEWSA-N 2 2 339.443 1.764 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)no1 ZINC000992841356 695404286 /nfs/dbraw/zinc/40/42/86/695404286.db2.gz YRSPPBKLGBGIJH-RRQGHBQHSA-N 2 2 343.431 1.666 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@H]2C1 ZINC000992873369 695421411 /nfs/dbraw/zinc/42/14/11/695421411.db2.gz NFGHLKDEXPSJCM-BPUTZDHNSA-N 2 2 343.431 1.666 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001038095700 695441328 /nfs/dbraw/zinc/44/13/28/695441328.db2.gz MXVVQEJDKSDBGZ-MSOLQXFVSA-N 2 2 344.459 1.430 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001038095700 695441330 /nfs/dbraw/zinc/44/13/30/695441330.db2.gz MXVVQEJDKSDBGZ-MSOLQXFVSA-N 2 2 344.459 1.430 20 0 EDADLP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001038095700 695441333 /nfs/dbraw/zinc/44/13/33/695441333.db2.gz MXVVQEJDKSDBGZ-MSOLQXFVSA-N 2 2 344.459 1.430 20 0 EDADLP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001038095700 695441336 /nfs/dbraw/zinc/44/13/36/695441336.db2.gz MXVVQEJDKSDBGZ-MSOLQXFVSA-N 2 2 344.459 1.430 20 0 EDADLP Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992922804 695455641 /nfs/dbraw/zinc/45/56/41/695455641.db2.gz HZCWVAZSHVTWTI-HRCADAONSA-N 2 2 342.447 1.034 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]23)cc[nH+]1 ZINC001060545294 695925749 /nfs/dbraw/zinc/92/57/49/695925749.db2.gz YQNGWNUJWGKCMQ-BZUAXINKSA-N 2 2 343.475 1.918 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001031260037 696066847 /nfs/dbraw/zinc/06/68/47/696066847.db2.gz JZGHYMLYFGYRSN-HNNXBMFYSA-N 2 2 326.444 1.810 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001031260037 696066852 /nfs/dbraw/zinc/06/68/52/696066852.db2.gz JZGHYMLYFGYRSN-HNNXBMFYSA-N 2 2 326.444 1.810 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1Cc1ccnn1C ZINC000993569182 696249216 /nfs/dbraw/zinc/24/92/16/696249216.db2.gz OVVVEJQOUBUGSG-NVXWUHKLSA-N 2 2 345.491 1.518 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1Cc1ccnn1C ZINC000993569182 696249217 /nfs/dbraw/zinc/24/92/17/696249217.db2.gz OVVVEJQOUBUGSG-NVXWUHKLSA-N 2 2 345.491 1.518 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC000993624923 696289081 /nfs/dbraw/zinc/28/90/81/696289081.db2.gz RRAFMKYCKNMVKP-CJNGLKHVSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)oc2C)[C@@H]1C ZINC000993624923 696289083 /nfs/dbraw/zinc/28/90/83/696289083.db2.gz RRAFMKYCKNMVKP-CJNGLKHVSA-N 2 2 345.447 1.966 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1nccs1 ZINC000993758799 696351796 /nfs/dbraw/zinc/35/17/96/696351796.db2.gz JEVWVVHOGDBBFI-HIFRSBDPSA-N 2 2 336.505 1.954 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@H+]1Cc1nccs1 ZINC000993758799 696351799 /nfs/dbraw/zinc/35/17/99/696351799.db2.gz JEVWVVHOGDBBFI-HIFRSBDPSA-N 2 2 336.505 1.954 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1Cc1cnnn1C ZINC000993806000 696381768 /nfs/dbraw/zinc/38/17/68/696381768.db2.gz OGBJVRBIUJZURZ-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1Cc1cnnn1C ZINC000993806000 696381771 /nfs/dbraw/zinc/38/17/71/696381771.db2.gz OGBJVRBIUJZURZ-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cnnn1C ZINC000993806000 696381774 /nfs/dbraw/zinc/38/17/74/696381774.db2.gz OGBJVRBIUJZURZ-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cnnn1C ZINC000993806000 696381776 /nfs/dbraw/zinc/38/17/76/696381776.db2.gz OGBJVRBIUJZURZ-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1ncccc1C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994205983 696580137 /nfs/dbraw/zinc/58/01/37/696580137.db2.gz HFCXKQSDNPMEKL-QAPCUYQASA-N 2 2 341.459 1.835 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994205983 696580138 /nfs/dbraw/zinc/58/01/38/696580138.db2.gz HFCXKQSDNPMEKL-QAPCUYQASA-N 2 2 341.459 1.835 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)o1 ZINC000994510182 696954117 /nfs/dbraw/zinc/95/41/17/696954117.db2.gz SSGLBLTWRHOGIO-DZGCQCFKSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)o1 ZINC000994510182 696954119 /nfs/dbraw/zinc/95/41/19/696954119.db2.gz SSGLBLTWRHOGIO-DZGCQCFKSA-N 2 2 331.420 1.657 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)ccn1 ZINC000994510149 696954149 /nfs/dbraw/zinc/95/41/49/696954149.db2.gz SGRKRFIUWCHPCQ-HOCLYGCPSA-N 2 2 343.431 1.456 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)ccn1 ZINC000994510149 696954151 /nfs/dbraw/zinc/95/41/51/696954151.db2.gz SGRKRFIUWCHPCQ-HOCLYGCPSA-N 2 2 343.431 1.456 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC001031385738 697005839 /nfs/dbraw/zinc/00/58/39/697005839.db2.gz NHVNNVBRKKSVES-KBXCAEBGSA-N 2 2 331.435 1.955 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+]([C@@H]3CCCc4ccc(F)cc43)C2)C1 ZINC001031385738 697005841 /nfs/dbraw/zinc/00/58/41/697005841.db2.gz NHVNNVBRKKSVES-KBXCAEBGSA-N 2 2 331.435 1.955 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031439890 697108222 /nfs/dbraw/zinc/10/82/22/697108222.db2.gz KVLKWBXHGVFRHH-MSOLQXFVSA-N 2 2 337.508 1.602 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031439890 697108225 /nfs/dbraw/zinc/10/82/25/697108225.db2.gz KVLKWBXHGVFRHH-MSOLQXFVSA-N 2 2 337.508 1.602 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031439891 697108330 /nfs/dbraw/zinc/10/83/30/697108330.db2.gz KVLKWBXHGVFRHH-QZTJIDSGSA-N 2 2 337.508 1.602 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031439891 697108333 /nfs/dbraw/zinc/10/83/33/697108333.db2.gz KVLKWBXHGVFRHH-QZTJIDSGSA-N 2 2 337.508 1.602 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC001031440021 697109003 /nfs/dbraw/zinc/10/90/03/697109003.db2.gz OJZZIJCUYMBVAK-OALUTQOASA-N 2 2 345.487 1.265 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000444792706 697155828 /nfs/dbraw/zinc/15/58/28/697155828.db2.gz FHXISFYAIOYBCK-ZBFHGGJFSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000444792706 697155829 /nfs/dbraw/zinc/15/58/29/697155829.db2.gz FHXISFYAIOYBCK-ZBFHGGJFSA-N 2 2 332.448 1.379 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC000918914614 697223493 /nfs/dbraw/zinc/22/34/93/697223493.db2.gz XPBJZPVLZJNKJQ-NUJGCVRESA-N 2 2 334.508 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[C@@H]3C[C@H]3C3CC3)C2)CC1 ZINC000918914614 697223495 /nfs/dbraw/zinc/22/34/95/697223495.db2.gz XPBJZPVLZJNKJQ-NUJGCVRESA-N 2 2 334.508 1.890 20 0 EDADLP c1nc2n(c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCOC2 ZINC000921496036 697626920 /nfs/dbraw/zinc/62/69/20/697626920.db2.gz LWQANXDZSCDYDK-UHFFFAOYSA-N 2 2 342.443 1.535 20 0 EDADLP CC1([NH2+]Cc2nncs2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940082871 700176930 /nfs/dbraw/zinc/17/69/30/700176930.db2.gz AEGNMIAXLQCBPM-UHFFFAOYSA-N 2 2 334.449 1.365 20 0 EDADLP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083725 700177962 /nfs/dbraw/zinc/17/79/62/700177962.db2.gz UNZJZSZCQPFKKB-UHFFFAOYSA-N 2 2 332.408 1.205 20 0 EDADLP Cc1ncccc1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767020 698820187 /nfs/dbraw/zinc/82/01/87/698820187.db2.gz PVFUPVZEVXUWCR-CJNGLKHVSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767020 698820191 /nfs/dbraw/zinc/82/01/91/698820191.db2.gz PVFUPVZEVXUWCR-CJNGLKHVSA-N 2 2 327.432 1.682 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031773300 699114377 /nfs/dbraw/zinc/11/43/77/699114377.db2.gz QSQWXSTVSJTMGP-OAHLLOKOSA-N 2 2 328.416 1.794 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001031782782 699204430 /nfs/dbraw/zinc/20/44/30/699204430.db2.gz LVTNKCFVAAIMPD-RDJZCZTQSA-N 2 2 346.475 1.310 20 0 EDADLP Cc1oncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995161691 701584829 /nfs/dbraw/zinc/58/48/29/701584829.db2.gz QBCUOPCBGLLQPQ-ZFWWWQNUSA-N 2 2 331.420 1.334 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)ccc1C ZINC000939212022 699360635 /nfs/dbraw/zinc/36/06/35/699360635.db2.gz WKAVGJAFPXQJAZ-YOEHRIQHSA-N 2 2 342.443 1.906 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031802295 699362060 /nfs/dbraw/zinc/36/20/60/699362060.db2.gz OYBUCJVKSHFAOC-SFHVURJKSA-N 2 2 348.466 1.889 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031802295 699362063 /nfs/dbraw/zinc/36/20/63/699362063.db2.gz OYBUCJVKSHFAOC-SFHVURJKSA-N 2 2 348.466 1.889 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)c(C)s1 ZINC000939213839 699363639 /nfs/dbraw/zinc/36/36/39/699363639.db2.gz FWPONXLBFSHDFS-ZUZCIYMTSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C)o1 ZINC000939236037 699404635 /nfs/dbraw/zinc/40/46/35/699404635.db2.gz NKSVAFAQZNYTBV-BBRMVZONSA-N 2 2 345.447 1.940 20 0 EDADLP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000941601290 701592729 /nfs/dbraw/zinc/59/27/29/701592729.db2.gz OJOYCKHSPXYXEL-HNNXBMFYSA-N 2 2 333.480 1.073 20 0 EDADLP Cc1cncc(C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)c1 ZINC001031817284 699528131 /nfs/dbraw/zinc/52/81/31/699528131.db2.gz YCQSNCFSEJSKQR-UHFFFAOYSA-N 2 2 335.411 1.900 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000939402559 699551498 /nfs/dbraw/zinc/55/14/98/699551498.db2.gz YZTHRUJHRXWXJP-LRDDRELGSA-N 2 2 346.406 1.220 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH2+]CC1CC1 ZINC000939464078 699597298 /nfs/dbraw/zinc/59/72/98/699597298.db2.gz NNSBKSVEIPCUGG-SUMWQHHRSA-N 2 2 325.416 1.727 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C)o1 ZINC000939454219 699600850 /nfs/dbraw/zinc/60/08/50/699600850.db2.gz QRUFUYZZXXRFHZ-CJNGLKHVSA-N 2 2 349.479 1.435 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939537340 699678214 /nfs/dbraw/zinc/67/82/14/699678214.db2.gz ZMLAAJSZXBHJLS-STQMWFEESA-N 2 2 330.436 1.058 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)sc1C ZINC000939624389 699762243 /nfs/dbraw/zinc/76/22/43/699762243.db2.gz XMNGZPBMPQDZRS-BMIGLBTASA-N 2 2 347.488 1.971 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)c(C)o1 ZINC000939643003 699780211 /nfs/dbraw/zinc/78/02/11/699780211.db2.gz OQFCTHJOZCGDAG-SJCJKPOMSA-N 2 2 345.447 1.594 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccon3)C2)c[nH+]1 ZINC000994993128 699821083 /nfs/dbraw/zinc/82/10/83/699821083.db2.gz ZMRRTPCEEVCGLI-HUUCEWRRSA-N 2 2 345.447 1.989 20 0 EDADLP CCCCc1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)n1 ZINC000939752884 699902300 /nfs/dbraw/zinc/90/23/00/699902300.db2.gz AYROMLKXSNKAES-LSDHHAIUSA-N 2 2 349.479 1.445 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC000939753779 699903453 /nfs/dbraw/zinc/90/34/53/699903453.db2.gz IUVIAKQXSZSBGW-CJNGLKHVSA-N 2 2 330.436 1.045 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC000939754151 699904190 /nfs/dbraw/zinc/90/41/90/699904190.db2.gz LKEZVDVARFZCKJ-KGLIPLIRSA-N 2 2 335.452 1.225 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000939745771 699911301 /nfs/dbraw/zinc/91/13/01/699911301.db2.gz DRNWHFNBWONGPR-RISCZKNCSA-N 2 2 344.419 1.089 20 0 EDADLP Cc1noc(C[NH2+]C2(C)CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)n1 ZINC000940357576 700524009 /nfs/dbraw/zinc/52/40/09/700524009.db2.gz IGHGXWPTDKIGIO-ZDUSSCGKSA-N 2 2 346.435 1.697 20 0 EDADLP COc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)on1 ZINC000940353823 700537534 /nfs/dbraw/zinc/53/75/34/700537534.db2.gz SNNWMMHUJFZBGB-UHFFFAOYSA-N 2 2 333.392 1.120 20 0 EDADLP CC1([NH2+]C[C@H]2C[C@]23CCOC3)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397341 700594108 /nfs/dbraw/zinc/59/41/08/700594108.db2.gz KMOBMDJGEPQCMH-KDOFPFPSSA-N 2 2 332.448 1.350 20 0 EDADLP COc1nscc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397029 700594390 /nfs/dbraw/zinc/59/43/90/700594390.db2.gz DRZKSURUUWGBAD-UHFFFAOYSA-N 2 2 349.460 1.588 20 0 EDADLP Cc1ncsc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940398003 700595288 /nfs/dbraw/zinc/59/52/88/700595288.db2.gz VKLXSLNGMNWJOS-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCOC2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001031968473 701661093 /nfs/dbraw/zinc/66/10/93/701661093.db2.gz XXBNXYRBDSBPOR-HIFRSBDPSA-N 2 2 332.448 1.304 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621535 700783036 /nfs/dbraw/zinc/78/30/36/700783036.db2.gz SWQGEBCOKOFLSD-LSDHHAIUSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621535 700783037 /nfs/dbraw/zinc/78/30/37/700783037.db2.gz SWQGEBCOKOFLSD-LSDHHAIUSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621535 700783038 /nfs/dbraw/zinc/78/30/38/700783038.db2.gz SWQGEBCOKOFLSD-LSDHHAIUSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621535 700783040 /nfs/dbraw/zinc/78/30/40/700783040.db2.gz SWQGEBCOKOFLSD-LSDHHAIUSA-N 2 2 335.452 1.189 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940832574 700931835 /nfs/dbraw/zinc/93/18/35/700931835.db2.gz ZDSITGOCKGGIPE-MRXNPFEDSA-N 2 2 335.448 1.496 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940832574 700931837 /nfs/dbraw/zinc/93/18/37/700931837.db2.gz ZDSITGOCKGGIPE-MRXNPFEDSA-N 2 2 335.448 1.496 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842486 700938394 /nfs/dbraw/zinc/93/83/94/700938394.db2.gz IEJFHNMLMMKADW-CVEARBPZSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842486 700938396 /nfs/dbraw/zinc/93/83/96/700938396.db2.gz IEJFHNMLMMKADW-CVEARBPZSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842486 700938397 /nfs/dbraw/zinc/93/83/97/700938397.db2.gz IEJFHNMLMMKADW-CVEARBPZSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842486 700938399 /nfs/dbraw/zinc/93/83/99/700938399.db2.gz IEJFHNMLMMKADW-CVEARBPZSA-N 2 2 349.479 1.579 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995115601 701057128 /nfs/dbraw/zinc/05/71/28/701057128.db2.gz KWWARPOYMVFJOH-JSGCOSHPSA-N 2 2 331.395 1.561 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C(C)(C)C2)o1 ZINC000941024837 701064157 /nfs/dbraw/zinc/06/41/57/701064157.db2.gz ACLKJFJHAPBJMR-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C(C)(C)C2)o1 ZINC000941024837 701064158 /nfs/dbraw/zinc/06/41/58/701064158.db2.gz ACLKJFJHAPBJMR-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C(C)(C)C2)o1 ZINC000941024837 701064159 /nfs/dbraw/zinc/06/41/59/701064159.db2.gz ACLKJFJHAPBJMR-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C(C)(C)C2)o1 ZINC000941024837 701064160 /nfs/dbraw/zinc/06/41/60/701064160.db2.gz ACLKJFJHAPBJMR-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP CCOC1CC(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000941062234 701109689 /nfs/dbraw/zinc/10/96/89/701109689.db2.gz YEZPPRFMUZRXNO-PREGVCBESA-N 2 2 348.491 1.984 20 0 EDADLP CCOC1CC(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000941062234 701109691 /nfs/dbraw/zinc/10/96/91/701109691.db2.gz YEZPPRFMUZRXNO-PREGVCBESA-N 2 2 348.491 1.984 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccnc(Cl)c2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806086 701195743 /nfs/dbraw/zinc/19/57/43/701195743.db2.gz AFHAMMSFWJFUQR-DZGCQCFKSA-N 2 2 347.850 1.958 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945806086 701195746 /nfs/dbraw/zinc/19/57/46/701195746.db2.gz AFHAMMSFWJFUQR-DZGCQCFKSA-N 2 2 347.850 1.958 20 0 EDADLP Cc1cncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1 ZINC000945810906 701204014 /nfs/dbraw/zinc/20/40/14/701204014.db2.gz YZQYZKNJYIDYOF-DOTOQJQBSA-N 2 2 327.432 1.613 20 0 EDADLP Cc1cncc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1 ZINC000945810906 701204017 /nfs/dbraw/zinc/20/40/17/701204017.db2.gz YZQYZKNJYIDYOF-DOTOQJQBSA-N 2 2 327.432 1.613 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)o1 ZINC000941165967 701376925 /nfs/dbraw/zinc/37/69/25/701376925.db2.gz CGMKCXRNVYFARO-CQSZACIVSA-N 2 2 347.463 1.191 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)o1 ZINC000941165967 701376926 /nfs/dbraw/zinc/37/69/26/701376926.db2.gz CGMKCXRNVYFARO-CQSZACIVSA-N 2 2 347.463 1.191 20 0 EDADLP CCOC1CC(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1 ZINC000941248350 701424751 /nfs/dbraw/zinc/42/47/51/701424751.db2.gz WZXABLOWLLURJY-JCYILVPMSA-N 2 2 348.491 1.915 20 0 EDADLP CCOC1CC(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1 ZINC000941248350 701424753 /nfs/dbraw/zinc/42/47/53/701424753.db2.gz WZXABLOWLLURJY-JCYILVPMSA-N 2 2 348.491 1.915 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccnc(Cl)c3)C2)CC1 ZINC001031947162 701500047 /nfs/dbraw/zinc/50/00/47/701500047.db2.gz AICIAYMJLCMSMA-UHFFFAOYSA-N 2 2 336.867 1.625 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000995727858 701765601 /nfs/dbraw/zinc/76/56/01/701765601.db2.gz FQLXZHQROUCGHK-LBPRGKRZSA-N 2 2 333.461 1.826 20 0 EDADLP Cc1ncoc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995175732 701804428 /nfs/dbraw/zinc/80/44/28/701804428.db2.gz AINQFFARJDFGDA-KBPBESRZSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000995175817 701804669 /nfs/dbraw/zinc/80/46/69/701804669.db2.gz BDFNHDGEODINFA-HIFRSBDPSA-N 2 2 330.436 1.069 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)on1 ZINC000995179620 701907605 /nfs/dbraw/zinc/90/76/05/701907605.db2.gz BWILFBKYIKNSQK-OLZOCXBDSA-N 2 2 347.419 1.332 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)on1 ZINC000995179629 701907880 /nfs/dbraw/zinc/90/78/80/701907880.db2.gz BWILFBKYIKNSQK-STQMWFEESA-N 2 2 347.419 1.332 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)c(C)o1 ZINC000995180804 701998020 /nfs/dbraw/zinc/99/80/20/701998020.db2.gz GHHICOBCGGTBEH-HUUCEWRRSA-N 2 2 345.447 1.940 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944441792 702020871 /nfs/dbraw/zinc/02/08/71/702020871.db2.gz AMRIMBSLBXKERX-MLGOLLRUSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944441792 702020878 /nfs/dbraw/zinc/02/08/78/702020878.db2.gz AMRIMBSLBXKERX-MLGOLLRUSA-N 2 2 345.447 1.838 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031977764 702036305 /nfs/dbraw/zinc/03/63/05/702036305.db2.gz HUICYMHTACMPBA-MLGOLLRUSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031977764 702036313 /nfs/dbraw/zinc/03/63/13/702036313.db2.gz HUICYMHTACMPBA-MLGOLLRUSA-N 2 2 337.414 1.711 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnns2)C1 ZINC000995187207 702174901 /nfs/dbraw/zinc/17/49/01/702174901.db2.gz RGWCAISAZYUSPY-NEPJUHHUSA-N 2 2 334.449 1.187 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3sccc3Cl)C2)C1 ZINC001032182193 702188848 /nfs/dbraw/zinc/18/88/48/702188848.db2.gz GNIMFMTXZCNVMY-GFCCVEGCSA-N 2 2 327.881 1.901 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3sccc3Cl)C2)C1 ZINC001032182193 702188852 /nfs/dbraw/zinc/18/88/52/702188852.db2.gz GNIMFMTXZCNVMY-GFCCVEGCSA-N 2 2 327.881 1.901 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000995886785 702223526 /nfs/dbraw/zinc/22/35/26/702223526.db2.gz NWBMFFVVBOGYOK-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000995886785 702223530 /nfs/dbraw/zinc/22/35/30/702223530.db2.gz NWBMFFVVBOGYOK-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032185801 702308625 /nfs/dbraw/zinc/30/86/25/702308625.db2.gz CGOMMTNKBSJNCF-GOEBONIOSA-N 2 2 344.459 1.013 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032185801 702308631 /nfs/dbraw/zinc/30/86/31/702308631.db2.gz CGOMMTNKBSJNCF-GOEBONIOSA-N 2 2 344.459 1.013 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]([NH2+]C[C@H]3CCOC3)C(C)(C)C2)c[nH+]1 ZINC000995954295 702318387 /nfs/dbraw/zinc/31/83/87/702318387.db2.gz XQDGOLWDZJQERW-CVEARBPZSA-N 2 2 348.491 1.790 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)s1 ZINC000944153670 702442061 /nfs/dbraw/zinc/44/20/61/702442061.db2.gz JFCTXJYUGACTDB-JSGCOSHPSA-N 2 2 349.504 1.269 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)s1 ZINC000944153670 702442065 /nfs/dbraw/zinc/44/20/65/702442065.db2.gz JFCTXJYUGACTDB-JSGCOSHPSA-N 2 2 349.504 1.269 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000996104672 702521709 /nfs/dbraw/zinc/52/17/09/702521709.db2.gz DORMWOPUQCGWHZ-AWEZNQCLSA-N 2 2 333.461 1.757 20 0 EDADLP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3csnn3)C(C)(C)C2)CC1 ZINC000996248767 702651426 /nfs/dbraw/zinc/65/14/26/702651426.db2.gz OIOVIGQJKWWKOJ-CQSZACIVSA-N 2 2 337.493 1.207 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)n1 ZINC000996354432 702732179 /nfs/dbraw/zinc/73/21/79/702732179.db2.gz HMEBQEISPYVLJW-HNNXBMFYSA-N 2 2 330.436 1.195 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256328 702747710 /nfs/dbraw/zinc/74/77/10/702747710.db2.gz DLRODVHZGGNDPV-CVEARBPZSA-N 2 2 343.475 1.432 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256328 702747713 /nfs/dbraw/zinc/74/77/13/702747713.db2.gz DLRODVHZGGNDPV-CVEARBPZSA-N 2 2 343.475 1.432 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([NH2+]C[C@H]4CCOC4)CC3)ccn12 ZINC000996512959 702832637 /nfs/dbraw/zinc/83/26/37/702832637.db2.gz DOILXRPZCALYLH-OAHLLOKOSA-N 2 2 342.443 1.873 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000996519671 702855223 /nfs/dbraw/zinc/85/52/23/702855223.db2.gz PSOWGWXZVZSBLB-HNNXBMFYSA-N 2 2 344.463 1.448 20 0 EDADLP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C)c1csnn1 ZINC000996521273 702856701 /nfs/dbraw/zinc/85/67/01/702856701.db2.gz RFDSKZMOYASFOQ-GXTWGEPZSA-N 2 2 349.504 1.522 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC2(C)C)cn1 ZINC000996568867 702881022 /nfs/dbraw/zinc/88/10/22/702881022.db2.gz NQGJNJRVNQSGHX-MRXNPFEDSA-N 2 2 344.463 1.113 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000996564482 702885615 /nfs/dbraw/zinc/88/56/15/702885615.db2.gz UFTQHRZUXVCDIL-MRXNPFEDSA-N 2 2 345.422 1.822 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996608174 702911400 /nfs/dbraw/zinc/91/14/00/702911400.db2.gz BVPSAXONZJVHOP-BXUZGUMPSA-N 2 2 346.435 1.471 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000996611387 702916701 /nfs/dbraw/zinc/91/67/01/702916701.db2.gz MVCXVGKJXYYURO-LBPRGKRZSA-N 2 2 334.449 1.070 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996613184 702918205 /nfs/dbraw/zinc/91/82/05/702918205.db2.gz UJWKMTBBSAKXGP-ZDUSSCGKSA-N 2 2 334.449 1.070 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)s1 ZINC000996652936 702942699 /nfs/dbraw/zinc/94/26/99/702942699.db2.gz WRMGSOGUOCVDHJ-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)s1 ZINC000996652936 702942702 /nfs/dbraw/zinc/94/27/02/702942702.db2.gz WRMGSOGUOCVDHJ-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]Cc2nc(C3CC3)no2)C1 ZINC000995250420 702964897 /nfs/dbraw/zinc/96/48/97/702964897.db2.gz OFYDFDSGOQBCAT-OCCSQVGLSA-N 2 2 344.419 1.218 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000996669858 702971356 /nfs/dbraw/zinc/97/13/56/702971356.db2.gz IRQMFTUWOISQRP-HUUCEWRRSA-N 2 2 349.479 1.579 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000996669858 702971358 /nfs/dbraw/zinc/97/13/58/702971358.db2.gz IRQMFTUWOISQRP-HUUCEWRRSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)n1 ZINC000996678246 702977030 /nfs/dbraw/zinc/97/70/30/702977030.db2.gz LURDULKLRQMWCR-AWEZNQCLSA-N 2 2 344.419 1.233 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000996681291 702979844 /nfs/dbraw/zinc/97/98/44/702979844.db2.gz YXMPWWUIEKNMDF-KRWDZBQOSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)sn1 ZINC000996713466 703008611 /nfs/dbraw/zinc/00/86/11/703008611.db2.gz JHFMARXCNAHNPS-AWEZNQCLSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)o2)C[C@@H]1C ZINC000942517747 703011011 /nfs/dbraw/zinc/01/10/11/703011011.db2.gz FSBDLEYADPANNK-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)o2)C[C@@H]1C ZINC000942517747 703011013 /nfs/dbraw/zinc/01/10/13/703011013.db2.gz FSBDLEYADPANNK-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000996734287 703030553 /nfs/dbraw/zinc/03/05/53/703030553.db2.gz WJLGYZAEMMZLNE-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942537403 703038051 /nfs/dbraw/zinc/03/80/51/703038051.db2.gz AJEVDQPFIJABGE-MAUKXSAKSA-N 2 2 342.443 1.959 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000942537403 703038054 /nfs/dbraw/zinc/03/80/54/703038054.db2.gz AJEVDQPFIJABGE-MAUKXSAKSA-N 2 2 342.443 1.959 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001032027491 703049659 /nfs/dbraw/zinc/04/96/59/703049659.db2.gz SUXHAGANPMDQCW-YJBOKZPZSA-N 2 2 345.491 1.849 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001032027491 703049661 /nfs/dbraw/zinc/04/96/61/703049661.db2.gz SUXHAGANPMDQCW-YJBOKZPZSA-N 2 2 345.491 1.849 20 0 EDADLP CC(C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C(F)(F)F ZINC000996852757 703131316 /nfs/dbraw/zinc/13/13/16/703131316.db2.gz BTELXZVHHAHTNF-AAEUAGOBSA-N 2 2 332.370 1.598 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997028136 703279867 /nfs/dbraw/zinc/27/98/67/703279867.db2.gz TVMXJQHRLGFCBG-HZPDHXFCSA-N 2 2 342.447 1.001 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997085113 703330526 /nfs/dbraw/zinc/33/05/26/703330526.db2.gz OVRMNYUZHZRHRC-AWEZNQCLSA-N 2 2 330.436 1.066 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997085113 703330528 /nfs/dbraw/zinc/33/05/28/703330528.db2.gz OVRMNYUZHZRHRC-AWEZNQCLSA-N 2 2 330.436 1.066 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000997127719 703384837 /nfs/dbraw/zinc/38/48/37/703384837.db2.gz RWBQUFQSAMIFOE-UHFFFAOYSA-N 2 2 339.399 1.874 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccnc2)CC[N@@H+]1C ZINC001032412254 703461453 /nfs/dbraw/zinc/46/14/53/703461453.db2.gz PBUNIXJNEAPRBP-XLAORIBOSA-N 2 2 328.460 1.597 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccnc2)CC[N@H+]1C ZINC001032412254 703461454 /nfs/dbraw/zinc/46/14/54/703461454.db2.gz PBUNIXJNEAPRBP-XLAORIBOSA-N 2 2 328.460 1.597 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2)CC[NH+]1C ZINC001032412254 703461455 /nfs/dbraw/zinc/46/14/55/703461455.db2.gz PBUNIXJNEAPRBP-XLAORIBOSA-N 2 2 328.460 1.597 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2)CC[NH+]1C ZINC001032412254 703461456 /nfs/dbraw/zinc/46/14/56/703461456.db2.gz PBUNIXJNEAPRBP-XLAORIBOSA-N 2 2 328.460 1.597 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1)c1ncccn1 ZINC000997182300 703467363 /nfs/dbraw/zinc/46/73/63/703467363.db2.gz IMUNWOFWUBSMJU-CYBMUJFWSA-N 2 2 342.447 1.819 20 0 EDADLP CCn1ncc(C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)n1 ZINC000997182363 703467583 /nfs/dbraw/zinc/46/75/83/703467583.db2.gz KAPRXVARZPSZJG-UHFFFAOYSA-N 2 2 345.451 1.080 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)co1 ZINC000997236215 703523330 /nfs/dbraw/zinc/52/33/30/703523330.db2.gz IMMPTHCZBHUCQH-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1 ZINC001032447681 703616679 /nfs/dbraw/zinc/61/66/79/703616679.db2.gz SZAIGRQJRIDQOY-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1 ZINC001032447681 703616680 /nfs/dbraw/zinc/61/66/80/703616680.db2.gz SZAIGRQJRIDQOY-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032447681 703616681 /nfs/dbraw/zinc/61/66/81/703616681.db2.gz SZAIGRQJRIDQOY-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032447681 703616682 /nfs/dbraw/zinc/61/66/82/703616682.db2.gz SZAIGRQJRIDQOY-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997413290 703668350 /nfs/dbraw/zinc/66/83/50/703668350.db2.gz IHUBZWLFNSLHQJ-UHFFFAOYSA-N 2 2 328.416 1.156 20 0 EDADLP COc1ccc(CC[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000997415598 703669098 /nfs/dbraw/zinc/66/90/98/703669098.db2.gz AXCZZEMOXYPTMD-UHFFFAOYSA-N 2 2 342.443 1.715 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032482618 703728305 /nfs/dbraw/zinc/72/83/05/703728305.db2.gz GJJOHHIDKOUCHQ-SZMVWBNQSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032482618 703728307 /nfs/dbraw/zinc/72/83/07/703728307.db2.gz GJJOHHIDKOUCHQ-SZMVWBNQSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032486030 703743904 /nfs/dbraw/zinc/74/39/04/703743904.db2.gz IDVABPPJQYHEKW-IKGGRYGDSA-N 2 2 344.459 1.157 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032486030 703743905 /nfs/dbraw/zinc/74/39/05/703743905.db2.gz IDVABPPJQYHEKW-IKGGRYGDSA-N 2 2 344.459 1.157 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCOC2)no1 ZINC001032488813 703763930 /nfs/dbraw/zinc/76/39/30/703763930.db2.gz IGIOCHQHDLGIGR-ILXRZTDVSA-N 2 2 348.447 1.062 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCOC2)no1 ZINC001032488813 703763931 /nfs/dbraw/zinc/76/39/31/703763931.db2.gz IGIOCHQHDLGIGR-ILXRZTDVSA-N 2 2 348.447 1.062 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999272565 706763400 /nfs/dbraw/zinc/76/34/00/706763400.db2.gz DNNIKUDRGTUCED-ZDUSSCGKSA-N 2 2 349.460 1.587 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)oc1C ZINC000995550618 703954429 /nfs/dbraw/zinc/95/44/29/703954429.db2.gz KBYWBZKXJISGMA-CABCVRRESA-N 2 2 334.464 1.712 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)oc1C ZINC000995550618 703954432 /nfs/dbraw/zinc/95/44/32/703954432.db2.gz KBYWBZKXJISGMA-CABCVRRESA-N 2 2 334.464 1.712 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001032520928 703966738 /nfs/dbraw/zinc/96/67/38/703966738.db2.gz MQUVZXQPVQIHKP-ROUUACIJSA-N 2 2 333.395 1.828 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001032520928 703966740 /nfs/dbraw/zinc/96/67/40/703966740.db2.gz MQUVZXQPVQIHKP-ROUUACIJSA-N 2 2 333.395 1.828 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032524038 703981630 /nfs/dbraw/zinc/98/16/30/703981630.db2.gz RIZODHIXSIUGHE-KKUMJFAQSA-N 2 2 332.448 1.082 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032524038 703981633 /nfs/dbraw/zinc/98/16/33/703981633.db2.gz RIZODHIXSIUGHE-KKUMJFAQSA-N 2 2 332.448 1.082 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001004258461 704086873 /nfs/dbraw/zinc/08/68/73/704086873.db2.gz SBWVEAWUTPYYKO-UHFFFAOYSA-N 2 2 344.463 1.615 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032535174 704567865 /nfs/dbraw/zinc/56/78/65/704567865.db2.gz VXXRJJGIFPFHFA-JYJNAYRXSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032535174 704567866 /nfs/dbraw/zinc/56/78/66/704567866.db2.gz VXXRJJGIFPFHFA-JYJNAYRXSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997708868 704602448 /nfs/dbraw/zinc/60/24/48/704602448.db2.gz YMYHACBBMFOTOI-HEHGZKQESA-N 2 2 348.495 1.485 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997708868 704602449 /nfs/dbraw/zinc/60/24/49/704602449.db2.gz YMYHACBBMFOTOI-HEHGZKQESA-N 2 2 348.495 1.485 20 0 EDADLP Cc1ccnc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000997739155 704636351 /nfs/dbraw/zinc/63/63/51/704636351.db2.gz SGPRGXNRSMBBGA-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2noc(C3CC3)n2)CC1)[NH+](C)C ZINC000997855754 704764704 /nfs/dbraw/zinc/76/47/04/704764704.db2.gz OWIDTPLJEWPQNZ-OAHLLOKOSA-N 2 2 349.479 1.615 20 0 EDADLP CC(C)c1noc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944942983 704795375 /nfs/dbraw/zinc/79/53/75/704795375.db2.gz DWGDXSWKEVHXGL-LSDHHAIUSA-N 2 2 349.479 1.615 20 0 EDADLP CC(C)c1noc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944942983 704795377 /nfs/dbraw/zinc/79/53/77/704795377.db2.gz DWGDXSWKEVHXGL-LSDHHAIUSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C[C@H]1C ZINC000944944523 704797304 /nfs/dbraw/zinc/79/73/04/704797304.db2.gz MYJRZWRMELJMNU-DYVFJYSZSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)cn2)C[C@H]1C ZINC000944944523 704797306 /nfs/dbraw/zinc/79/73/06/704797306.db2.gz MYJRZWRMELJMNU-DYVFJYSZSA-N 2 2 342.447 1.317 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)nn1 ZINC000944945270 704798205 /nfs/dbraw/zinc/79/82/05/704798205.db2.gz QQQNWZFVGWSVFQ-DOTOQJQBSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)nn1 ZINC000944945270 704798206 /nfs/dbraw/zinc/79/82/06/704798206.db2.gz QQQNWZFVGWSVFQ-DOTOQJQBSA-N 2 2 348.495 1.281 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963894 704830601 /nfs/dbraw/zinc/83/06/01/704830601.db2.gz DZSLLXYALHVZQX-WFASDCNBSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963894 704830610 /nfs/dbraw/zinc/83/06/10/704830610.db2.gz DZSLLXYALHVZQX-WFASDCNBSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC000944964972 704833250 /nfs/dbraw/zinc/83/32/50/704833250.db2.gz NUBAQRIJLUDCDP-CXAGYDPISA-N 2 2 345.422 1.752 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC000944964972 704833254 /nfs/dbraw/zinc/83/32/54/704833254.db2.gz NUBAQRIJLUDCDP-CXAGYDPISA-N 2 2 345.422 1.752 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944965916 704837603 /nfs/dbraw/zinc/83/76/03/704837603.db2.gz WSXHDOHOSBETLK-CZUORRHYSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944965916 704837610 /nfs/dbraw/zinc/83/76/10/704837610.db2.gz WSXHDOHOSBETLK-CZUORRHYSA-N 2 2 345.447 1.769 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC000944966364 704838801 /nfs/dbraw/zinc/83/88/01/704838801.db2.gz YMEKGQSQAXBUSU-ZBFHGGJFSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC000944966364 704838806 /nfs/dbraw/zinc/83/88/06/704838806.db2.gz YMEKGQSQAXBUSU-ZBFHGGJFSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000997916263 704980859 /nfs/dbraw/zinc/98/08/59/704980859.db2.gz QNNQDBCLKXHHCH-UHFFFAOYSA-N 2 2 334.449 1.071 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997950830 705077569 /nfs/dbraw/zinc/07/75/69/705077569.db2.gz BBGUHXVGPJCNSR-UHFFFAOYSA-N 2 2 333.461 1.758 20 0 EDADLP CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032586711 705106141 /nfs/dbraw/zinc/10/61/41/705106141.db2.gz ARJMPKNTYAWTJA-OTRWWLKZSA-N 2 2 346.475 1.752 20 0 EDADLP CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032586711 705106142 /nfs/dbraw/zinc/10/61/42/705106142.db2.gz ARJMPKNTYAWTJA-OTRWWLKZSA-N 2 2 346.475 1.752 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032586711 705106145 /nfs/dbraw/zinc/10/61/45/705106145.db2.gz ARJMPKNTYAWTJA-OTRWWLKZSA-N 2 2 346.475 1.752 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001032586711 705106147 /nfs/dbraw/zinc/10/61/47/705106147.db2.gz ARJMPKNTYAWTJA-OTRWWLKZSA-N 2 2 346.475 1.752 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000998095220 705326377 /nfs/dbraw/zinc/32/63/77/705326377.db2.gz SXGNGTBDAKVPPS-GVDBMIGSSA-N 2 2 346.475 1.388 20 0 EDADLP C[C@H](CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1)n1cc[nH+]c1 ZINC000998127002 705388945 /nfs/dbraw/zinc/38/89/45/705388945.db2.gz OHEBVDMTFWWNNZ-OAHLLOKOSA-N 2 2 342.447 1.653 20 0 EDADLP CCc1noc(C)c1C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000998184085 705484056 /nfs/dbraw/zinc/48/40/56/705484056.db2.gz SBRPXDNURHLYHN-UHFFFAOYSA-N 2 2 345.447 1.839 20 0 EDADLP CCc1nc(C)c(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)o1 ZINC000998184711 705485882 /nfs/dbraw/zinc/48/58/82/705485882.db2.gz WULBHCZTRPDHPR-UHFFFAOYSA-N 2 2 345.447 1.839 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC000998244386 705590893 /nfs/dbraw/zinc/59/08/93/705590893.db2.gz MTRIRWRLRJFLLV-CZUORRHYSA-N 2 2 334.464 1.656 20 0 EDADLP CC(C)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998310620 705716892 /nfs/dbraw/zinc/71/68/92/705716892.db2.gz GZKIVLDZKLCDJX-RYUDHWBXSA-N 2 2 332.370 1.977 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@H]2C)c1 ZINC001032627194 705734479 /nfs/dbraw/zinc/73/44/79/705734479.db2.gz RKJLCTZHGOFODT-NJAFHUGGSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@H]2C)c1 ZINC001032627194 705734481 /nfs/dbraw/zinc/73/44/81/705734481.db2.gz RKJLCTZHGOFODT-NJAFHUGGSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC001032627194 705734484 /nfs/dbraw/zinc/73/44/84/705734484.db2.gz RKJLCTZHGOFODT-NJAFHUGGSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CCC[C@H]2C)c1 ZINC001032627194 705734487 /nfs/dbraw/zinc/73/44/87/705734487.db2.gz RKJLCTZHGOFODT-NJAFHUGGSA-N 2 2 343.471 1.965 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC000998721625 706157192 /nfs/dbraw/zinc/15/71/92/706157192.db2.gz MZZSRINNDJAGHU-UONOGXRCSA-N 2 2 334.468 1.103 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)[nH]1 ZINC000998721625 706157195 /nfs/dbraw/zinc/15/71/95/706157195.db2.gz MZZSRINNDJAGHU-UONOGXRCSA-N 2 2 334.468 1.103 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)no1 ZINC000998779403 706220819 /nfs/dbraw/zinc/22/08/19/706220819.db2.gz CBGYZHVGFBEAAP-NRXISQOPSA-N 2 2 347.463 1.053 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3F)C2)C1 ZINC000998813562 706256493 /nfs/dbraw/zinc/25/64/93/706256493.db2.gz WELIUTJKJWUUHU-NVXWUHKLSA-N 2 2 335.423 1.237 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3F)C2)C1 ZINC000998813562 706256495 /nfs/dbraw/zinc/25/64/95/706256495.db2.gz WELIUTJKJWUUHU-NVXWUHKLSA-N 2 2 335.423 1.237 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)[nH]1 ZINC000999123467 706548224 /nfs/dbraw/zinc/54/82/24/706548224.db2.gz KQXQJEMFCSQPGK-HSBZDZAISA-N 2 2 345.451 1.212 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999386171 706899108 /nfs/dbraw/zinc/89/91/08/706899108.db2.gz UMGPCDGDTIXLKN-RUXDESIVSA-N 2 2 342.447 1.342 20 0 EDADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999403628 706912197 /nfs/dbraw/zinc/91/21/97/706912197.db2.gz XDOHASDHMFHKKM-HIFRSBDPSA-N 2 2 337.493 1.493 20 0 EDADLP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999403628 706912200 /nfs/dbraw/zinc/91/22/00/706912200.db2.gz XDOHASDHMFHKKM-HIFRSBDPSA-N 2 2 337.493 1.493 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cscn3)C2)no1 ZINC000999554694 707052793 /nfs/dbraw/zinc/05/27/93/707052793.db2.gz BRHGICRJUCPHAR-LBPRGKRZSA-N 2 2 349.460 1.587 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999595014 707097751 /nfs/dbraw/zinc/09/77/51/707097751.db2.gz CUBPOVUVJMJXLD-DZGCQCFKSA-N 2 2 347.463 1.648 20 0 EDADLP O=C(N1CCC[C@H]([NH2+]Cc2nncs2)C1)C12CCC[NH+]1CCC2 ZINC000999596369 707099327 /nfs/dbraw/zinc/09/93/27/707099327.db2.gz LSXDEGASZGWGOZ-ZDUSSCGKSA-N 2 2 335.477 1.247 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999596211 707099393 /nfs/dbraw/zinc/09/93/93/707099393.db2.gz KCVRMYGYXRTFSB-CQSZACIVSA-N 2 2 347.463 1.341 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)[nH]1 ZINC000999726872 707269719 /nfs/dbraw/zinc/26/97/19/707269719.db2.gz PFFFSFLGGAMESR-ZIAGYGMSSA-N 2 2 345.451 1.214 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999753454 707354994 /nfs/dbraw/zinc/35/49/94/707354994.db2.gz MOIPWSXDYBGYDW-LEOMRAHMSA-N 2 2 348.491 1.781 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2nccnc2C)C1 ZINC000999755592 707357785 /nfs/dbraw/zinc/35/77/85/707357785.db2.gz XTIZMNUYELDMAO-UHFFFAOYSA-N 2 2 328.420 1.138 20 0 EDADLP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1)OC ZINC001033184429 707364383 /nfs/dbraw/zinc/36/43/83/707364383.db2.gz ALCSUKHAGKKLFI-HOTGVXAUSA-N 2 2 336.480 1.884 20 0 EDADLP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1)OC ZINC001033184429 707364388 /nfs/dbraw/zinc/36/43/88/707364388.db2.gz ALCSUKHAGKKLFI-HOTGVXAUSA-N 2 2 336.480 1.884 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999797835 707369016 /nfs/dbraw/zinc/36/90/16/707369016.db2.gz HMSQBKKTGGPWKY-HOTGVXAUSA-N 2 2 327.444 1.037 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999797835 707369019 /nfs/dbraw/zinc/36/90/19/707369019.db2.gz HMSQBKKTGGPWKY-HOTGVXAUSA-N 2 2 327.444 1.037 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033191216 707395165 /nfs/dbraw/zinc/39/51/65/707395165.db2.gz GKMANFGQXUVSDJ-OAHLLOKOSA-N 2 2 338.415 1.606 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033191216 707395173 /nfs/dbraw/zinc/39/51/73/707395173.db2.gz GKMANFGQXUVSDJ-OAHLLOKOSA-N 2 2 338.415 1.606 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC(F)(F)F)C2)O1 ZINC001033196569 707410351 /nfs/dbraw/zinc/41/03/51/707410351.db2.gz NWVRDCQHIQKFAJ-JHJVBQTASA-N 2 2 337.386 1.191 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC(F)(F)F)C2)O1 ZINC001033196569 707410353 /nfs/dbraw/zinc/41/03/53/707410353.db2.gz NWVRDCQHIQKFAJ-JHJVBQTASA-N 2 2 337.386 1.191 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCC(F)(F)F)C2)O1 ZINC001033196569 707410358 /nfs/dbraw/zinc/41/03/58/707410358.db2.gz NWVRDCQHIQKFAJ-JHJVBQTASA-N 2 2 337.386 1.191 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCC(F)(F)F)C2)O1 ZINC001033196569 707410361 /nfs/dbraw/zinc/41/03/61/707410361.db2.gz NWVRDCQHIQKFAJ-JHJVBQTASA-N 2 2 337.386 1.191 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033298080 707435883 /nfs/dbraw/zinc/43/58/83/707435883.db2.gz ZNEJEYKAEWATKD-IAGOWNOFSA-N 2 2 341.471 1.380 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033298080 707435884 /nfs/dbraw/zinc/43/58/84/707435884.db2.gz ZNEJEYKAEWATKD-IAGOWNOFSA-N 2 2 341.471 1.380 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[C@@H]1CC[NH+](CCCF)C1 ZINC001033298080 707435885 /nfs/dbraw/zinc/43/58/85/707435885.db2.gz ZNEJEYKAEWATKD-IAGOWNOFSA-N 2 2 341.471 1.380 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)[C@@H]1CC[NH+](CCCF)C1 ZINC001033298080 707435886 /nfs/dbraw/zinc/43/58/86/707435886.db2.gz ZNEJEYKAEWATKD-IAGOWNOFSA-N 2 2 341.471 1.380 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946800943 707454697 /nfs/dbraw/zinc/45/46/97/707454697.db2.gz RNXQLSXCLBULDI-YESZJQIVSA-N 2 2 346.475 1.549 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946800943 707454699 /nfs/dbraw/zinc/45/46/99/707454699.db2.gz RNXQLSXCLBULDI-YESZJQIVSA-N 2 2 346.475 1.549 20 0 EDADLP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999916949 707559289 /nfs/dbraw/zinc/55/92/89/707559289.db2.gz QKAZDFFVBSYUCU-UHFFFAOYSA-N 2 2 329.404 1.066 20 0 EDADLP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)o1 ZINC000999917627 707559612 /nfs/dbraw/zinc/55/96/12/707559612.db2.gz VMCFLGVCELCREO-UHFFFAOYSA-N 2 2 331.420 1.521 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cnon1 ZINC001004903551 707594831 /nfs/dbraw/zinc/59/48/31/707594831.db2.gz WIHWUURVOZJRMY-DZGCQCFKSA-N 2 2 332.408 1.134 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)sn1 ZINC001044821738 707618897 /nfs/dbraw/zinc/61/88/97/707618897.db2.gz ZSEKMTHIQSRPKH-KBPBESRZSA-N 2 2 347.488 1.897 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)C3CC[NH+](C(C)C)CC3)C2)cc[nH+]1 ZINC001061646623 707674762 /nfs/dbraw/zinc/67/47/62/707674762.db2.gz GZLAZIGTARGSIM-MRXNPFEDSA-N 2 2 345.491 1.848 20 0 EDADLP C[C@@H]([NH2+]CC1CCOCC1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004942845 707689778 /nfs/dbraw/zinc/68/97/78/707689778.db2.gz BGHUHDFXAOPGCA-RHSMWYFYSA-N 2 2 334.464 1.738 20 0 EDADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001032727721 707722467 /nfs/dbraw/zinc/72/24/67/707722467.db2.gz DCESZCNVEPKDBN-HOTGVXAUSA-N 2 2 325.416 1.966 20 0 EDADLP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001032727721 707722470 /nfs/dbraw/zinc/72/24/70/707722470.db2.gz DCESZCNVEPKDBN-HOTGVXAUSA-N 2 2 325.416 1.966 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c(Cl)c(C)nn2C)nc[nH+]1 ZINC000921700686 707827656 /nfs/dbraw/zinc/82/76/56/707827656.db2.gz GQCAYOVDOFABTA-LBPRGKRZSA-N 2 2 349.870 1.972 20 0 EDADLP C[C@@H](CC(=O)N1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)n1cc[nH+]c1 ZINC000946766171 707828132 /nfs/dbraw/zinc/82/81/32/707828132.db2.gz KYCXVQPZALJDJW-HOCLYGCPSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@@H](CC(=O)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1)n1cc[nH+]c1 ZINC000946766171 707828136 /nfs/dbraw/zinc/82/81/36/707828136.db2.gz KYCXVQPZALJDJW-HOCLYGCPSA-N 2 2 347.463 1.036 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001000198140 707840538 /nfs/dbraw/zinc/84/05/38/707840538.db2.gz KOYIIBJHISBWKD-ZDUSSCGKSA-N 2 2 337.493 1.351 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001000198140 707840545 /nfs/dbraw/zinc/84/05/45/707840545.db2.gz KOYIIBJHISBWKD-ZDUSSCGKSA-N 2 2 337.493 1.351 20 0 EDADLP C[C@H]([NH2+]Cc1ccon1)[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001004987719 707842486 /nfs/dbraw/zinc/84/24/86/707842486.db2.gz DRRFWNDTMVECTF-WMLDXEAASA-N 2 2 345.447 1.900 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033460789 707913457 /nfs/dbraw/zinc/91/34/57/707913457.db2.gz XPKKNNNPWGWQPO-CQSZACIVSA-N 2 2 331.420 1.544 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033460789 707913461 /nfs/dbraw/zinc/91/34/61/707913461.db2.gz XPKKNNNPWGWQPO-CQSZACIVSA-N 2 2 331.420 1.544 20 0 EDADLP CCn1ccnc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005010408 707928246 /nfs/dbraw/zinc/92/82/46/707928246.db2.gz PYXWOIJPEDDKBL-CVEARBPZSA-N 2 2 344.463 1.659 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(CC4CC4)no3)C2)C1 ZINC001000924988 708077163 /nfs/dbraw/zinc/07/71/63/708077163.db2.gz GAZZLRZCXOVYJX-GJZGRUSLSA-N 2 2 347.463 1.054 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(CC4CC4)no3)C2)C1 ZINC001000924988 708077164 /nfs/dbraw/zinc/07/71/64/708077164.db2.gz GAZZLRZCXOVYJX-GJZGRUSLSA-N 2 2 347.463 1.054 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033585825 708314363 /nfs/dbraw/zinc/31/43/63/708314363.db2.gz NLUCRIIXSXOKSP-HNNXBMFYSA-N 2 2 342.447 1.228 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033585825 708314366 /nfs/dbraw/zinc/31/43/66/708314366.db2.gz NLUCRIIXSXOKSP-HNNXBMFYSA-N 2 2 342.447 1.228 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033666532 708451368 /nfs/dbraw/zinc/45/13/68/708451368.db2.gz XGXABGFZDYJHNW-OAHLLOKOSA-N 2 2 347.850 1.973 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033666532 708451369 /nfs/dbraw/zinc/45/13/69/708451369.db2.gz XGXABGFZDYJHNW-OAHLLOKOSA-N 2 2 347.850 1.973 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033690441 708520367 /nfs/dbraw/zinc/52/03/67/708520367.db2.gz RYXCYQSLGLOMMU-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033690441 708520369 /nfs/dbraw/zinc/52/03/69/708520369.db2.gz RYXCYQSLGLOMMU-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033690441 708520370 /nfs/dbraw/zinc/52/03/70/708520370.db2.gz RYXCYQSLGLOMMU-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033690441 708520371 /nfs/dbraw/zinc/52/03/71/708520371.db2.gz RYXCYQSLGLOMMU-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP Cc1cccc(OCC[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001033707966 708541018 /nfs/dbraw/zinc/54/10/18/708541018.db2.gz VYGUBDODSAECTA-KRWDZBQOSA-N 2 2 342.443 1.803 20 0 EDADLP Cc1cccc(OCC[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001033707966 708541020 /nfs/dbraw/zinc/54/10/20/708541020.db2.gz VYGUBDODSAECTA-KRWDZBQOSA-N 2 2 342.443 1.803 20 0 EDADLP CCc1noc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001002051821 708583573 /nfs/dbraw/zinc/58/35/73/708583573.db2.gz FSDQEWAUHJSOSQ-UHFFFAOYSA-N 2 2 347.463 1.056 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001002122563 708637076 /nfs/dbraw/zinc/63/70/76/708637076.db2.gz DUPYHWWIPVMJOS-HIFRSBDPSA-N 2 2 348.495 1.208 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001002122563 708637080 /nfs/dbraw/zinc/63/70/80/708637080.db2.gz DUPYHWWIPVMJOS-HIFRSBDPSA-N 2 2 348.495 1.208 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033775284 708675350 /nfs/dbraw/zinc/67/53/50/708675350.db2.gz MNEKUBXSBAWTOJ-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033775284 708675352 /nfs/dbraw/zinc/67/53/52/708675352.db2.gz MNEKUBXSBAWTOJ-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033775284 708675355 /nfs/dbraw/zinc/67/53/55/708675355.db2.gz MNEKUBXSBAWTOJ-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033775284 708675358 /nfs/dbraw/zinc/67/53/58/708675358.db2.gz MNEKUBXSBAWTOJ-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC001002477326 708997927 /nfs/dbraw/zinc/99/79/27/708997927.db2.gz YPLLJFATCFFXNJ-GOSISDBHSA-N 2 2 345.491 1.394 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC001002477326 708997929 /nfs/dbraw/zinc/99/79/29/708997929.db2.gz YPLLJFATCFFXNJ-GOSISDBHSA-N 2 2 345.491 1.394 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001034017167 709234280 /nfs/dbraw/zinc/23/42/80/709234280.db2.gz YDZITRRQBPQNDG-MRXNPFEDSA-N 2 2 343.431 1.186 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001034017167 709234282 /nfs/dbraw/zinc/23/42/82/709234282.db2.gz YDZITRRQBPQNDG-MRXNPFEDSA-N 2 2 343.431 1.186 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034005205 709245564 /nfs/dbraw/zinc/24/55/64/709245564.db2.gz SESYCJXNTFZHPL-MAUKXSAKSA-N 2 2 342.443 1.790 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034005205 709245566 /nfs/dbraw/zinc/24/55/66/709245566.db2.gz SESYCJXNTFZHPL-MAUKXSAKSA-N 2 2 342.443 1.790 20 0 EDADLP COc1cncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034130251 709399392 /nfs/dbraw/zinc/39/93/92/709399392.db2.gz HFNWUYUIUGGUHW-GDBMZVCRSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001034130251 709399394 /nfs/dbraw/zinc/39/93/94/709399394.db2.gz HFNWUYUIUGGUHW-GDBMZVCRSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001034130251 709399396 /nfs/dbraw/zinc/39/93/96/709399396.db2.gz HFNWUYUIUGGUHW-GDBMZVCRSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001034130251 709399398 /nfs/dbraw/zinc/39/93/98/709399398.db2.gz HFNWUYUIUGGUHW-GDBMZVCRSA-N 2 2 347.463 1.050 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001034131178 709400768 /nfs/dbraw/zinc/40/07/68/709400768.db2.gz MPUASPIXGZIFQS-IRXDYDNUSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034131178 709400771 /nfs/dbraw/zinc/40/07/71/709400771.db2.gz MPUASPIXGZIFQS-IRXDYDNUSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034131178 709400774 /nfs/dbraw/zinc/40/07/74/709400774.db2.gz MPUASPIXGZIFQS-IRXDYDNUSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034131178 709400777 /nfs/dbraw/zinc/40/07/77/709400777.db2.gz MPUASPIXGZIFQS-IRXDYDNUSA-N 2 2 331.464 1.350 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001002861146 709464515 /nfs/dbraw/zinc/46/45/15/709464515.db2.gz TUKGVENDIMJTPE-VNHYZAJKSA-N 2 2 349.479 1.614 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001002861146 709464517 /nfs/dbraw/zinc/46/45/17/709464517.db2.gz TUKGVENDIMJTPE-VNHYZAJKSA-N 2 2 349.479 1.614 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cc(C)on3)CC2)CC[N@@H+]1C ZINC001002863725 709472479 /nfs/dbraw/zinc/47/24/79/709472479.db2.gz XBSLGMZJIXWBRV-DLBZAZTESA-N 2 2 334.464 1.794 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cc(C)on3)CC2)CC[N@H+]1C ZINC001002863725 709472480 /nfs/dbraw/zinc/47/24/80/709472480.db2.gz XBSLGMZJIXWBRV-DLBZAZTESA-N 2 2 334.464 1.794 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2CC[NH+](CCCF)CC2)[nH]n1 ZINC001002872148 709489503 /nfs/dbraw/zinc/48/95/03/709489503.db2.gz PVTVSSIZMCHWQU-INIZCTEOSA-N 2 2 337.443 1.730 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2CC[NH+](CCCF)CC2)[nH]n1 ZINC001002872148 709489507 /nfs/dbraw/zinc/48/95/07/709489507.db2.gz PVTVSSIZMCHWQU-INIZCTEOSA-N 2 2 337.443 1.730 20 0 EDADLP Cn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034208232 709557090 /nfs/dbraw/zinc/55/70/90/709557090.db2.gz SEMOECPOKYZOMB-IAGOWNOFSA-N 2 2 345.491 1.233 20 0 EDADLP Cn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034208232 709557094 /nfs/dbraw/zinc/55/70/94/709557094.db2.gz SEMOECPOKYZOMB-IAGOWNOFSA-N 2 2 345.491 1.233 20 0 EDADLP Cn1cncc1C[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001003016060 709803735 /nfs/dbraw/zinc/80/37/35/709803735.db2.gz JAUAXYJKLZYCMZ-INIZCTEOSA-N 2 2 342.447 1.275 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001003070394 709935281 /nfs/dbraw/zinc/93/52/81/709935281.db2.gz KXYOHZITYQHNJN-NUEKZKHPSA-N 2 2 332.448 1.520 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001003070394 709935283 /nfs/dbraw/zinc/93/52/83/709935283.db2.gz KXYOHZITYQHNJN-NUEKZKHPSA-N 2 2 332.448 1.520 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034399302 709942034 /nfs/dbraw/zinc/94/20/34/709942034.db2.gz SCFVPCKOQWJDRV-ZBFHGGJFSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034399302 709942035 /nfs/dbraw/zinc/94/20/35/709942035.db2.gz SCFVPCKOQWJDRV-ZBFHGGJFSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034399302 709942036 /nfs/dbraw/zinc/94/20/36/709942036.db2.gz SCFVPCKOQWJDRV-ZBFHGGJFSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034399302 709942037 /nfs/dbraw/zinc/94/20/37/709942037.db2.gz SCFVPCKOQWJDRV-ZBFHGGJFSA-N 2 2 334.464 1.796 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001003167779 710079414 /nfs/dbraw/zinc/07/94/14/710079414.db2.gz PKTWSOYJGQERTP-KRWDZBQOSA-N 2 2 334.439 1.786 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC001003167779 710079419 /nfs/dbraw/zinc/07/94/19/710079419.db2.gz PKTWSOYJGQERTP-KRWDZBQOSA-N 2 2 334.439 1.786 20 0 EDADLP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474862 710080568 /nfs/dbraw/zinc/08/05/68/710080568.db2.gz YTMVKVYVYKULAX-LSDHHAIUSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474862 710080573 /nfs/dbraw/zinc/08/05/73/710080573.db2.gz YTMVKVYVYKULAX-LSDHHAIUSA-N 2 2 343.431 1.232 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034491414 710111367 /nfs/dbraw/zinc/11/13/67/710111367.db2.gz USGSCLBKXCSISQ-CVEARBPZSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034491414 710111370 /nfs/dbraw/zinc/11/13/70/710111370.db2.gz USGSCLBKXCSISQ-CVEARBPZSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491414 710111374 /nfs/dbraw/zinc/11/13/74/710111374.db2.gz USGSCLBKXCSISQ-CVEARBPZSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491414 710111378 /nfs/dbraw/zinc/11/13/78/710111378.db2.gz USGSCLBKXCSISQ-CVEARBPZSA-N 2 2 334.464 1.796 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](Cc3ncccn3)C2)C1 ZINC001034491668 710112397 /nfs/dbraw/zinc/11/23/97/710112397.db2.gz XIDKNSBHVQYUHH-HOTGVXAUSA-N 2 2 331.464 1.289 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](Cc3ncccn3)C2)C1 ZINC001034491668 710112398 /nfs/dbraw/zinc/11/23/98/710112398.db2.gz XIDKNSBHVQYUHH-HOTGVXAUSA-N 2 2 331.464 1.289 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@H+](Cc3ncccn3)C2)C1 ZINC001034491668 710112399 /nfs/dbraw/zinc/11/23/99/710112399.db2.gz XIDKNSBHVQYUHH-HOTGVXAUSA-N 2 2 331.464 1.289 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCCC[N@@H+](Cc3ncccn3)C2)C1 ZINC001034491668 710112400 /nfs/dbraw/zinc/11/24/00/710112400.db2.gz XIDKNSBHVQYUHH-HOTGVXAUSA-N 2 2 331.464 1.289 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC001003210357 710121090 /nfs/dbraw/zinc/12/10/90/710121090.db2.gz PWUBDNJYULOYKO-CABCVRRESA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC001003210357 710121092 /nfs/dbraw/zinc/12/10/92/710121092.db2.gz PWUBDNJYULOYKO-CABCVRRESA-N 2 2 346.475 1.440 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003193569 710128552 /nfs/dbraw/zinc/12/85/52/710128552.db2.gz NMYZAPBUPGURSE-HUUCEWRRSA-N 2 2 332.448 1.063 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003244126 710167133 /nfs/dbraw/zinc/16/71/33/710167133.db2.gz JVUHVYCYIBOSGR-HNNXBMFYSA-N 2 2 343.475 1.747 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547606 710221817 /nfs/dbraw/zinc/22/18/17/710221817.db2.gz VYZJHFDAMGUHKZ-HNNXBMFYSA-N 2 2 345.447 1.913 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547606 710221820 /nfs/dbraw/zinc/22/18/20/710221820.db2.gz VYZJHFDAMGUHKZ-HNNXBMFYSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001003319130 710247596 /nfs/dbraw/zinc/24/75/96/710247596.db2.gz RRKUENHALSSAAM-UHFFFAOYSA-N 2 2 342.447 1.115 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001003637210 710466949 /nfs/dbraw/zinc/46/69/49/710466949.db2.gz ZGXOUIRWDXRSND-KDOFPFPSSA-N 2 2 345.491 1.108 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001003637210 710466950 /nfs/dbraw/zinc/46/69/50/710466950.db2.gz ZGXOUIRWDXRSND-KDOFPFPSSA-N 2 2 345.491 1.108 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCOC3)CC2)c[nH+]1 ZINC001034672369 710619558 /nfs/dbraw/zinc/61/95/58/710619558.db2.gz PSZQPFFTKHTLMS-ULQDDVLXSA-N 2 2 348.491 1.980 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960359 710968811 /nfs/dbraw/zinc/96/88/11/710968811.db2.gz REYLEWQVWPGWLZ-IRXDYDNUSA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960359 710968813 /nfs/dbraw/zinc/96/88/13/710968813.db2.gz REYLEWQVWPGWLZ-IRXDYDNUSA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960359 710968815 /nfs/dbraw/zinc/96/88/15/710968815.db2.gz REYLEWQVWPGWLZ-IRXDYDNUSA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960359 710968818 /nfs/dbraw/zinc/96/88/18/710968818.db2.gz REYLEWQVWPGWLZ-IRXDYDNUSA-N 2 2 347.507 1.765 20 0 EDADLP CCOc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001032968544 711043832 /nfs/dbraw/zinc/04/38/32/711043832.db2.gz RGSKDNQGVPZWDV-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCOc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001032968544 711043836 /nfs/dbraw/zinc/04/38/36/711043836.db2.gz RGSKDNQGVPZWDV-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCOc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001032968544 711043841 /nfs/dbraw/zinc/04/38/41/711043841.db2.gz RGSKDNQGVPZWDV-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCOc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001032968544 711043844 /nfs/dbraw/zinc/04/38/44/711043844.db2.gz RGSKDNQGVPZWDV-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034777248 711055675 /nfs/dbraw/zinc/05/56/75/711055675.db2.gz GQIBRCBZKAHDPU-HAQNSBGRSA-N 2 2 334.449 1.031 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)ncn1 ZINC001034778509 711080377 /nfs/dbraw/zinc/08/03/77/711080377.db2.gz USTVUTMRBIKFCZ-SHTZXODSSA-N 2 2 342.447 1.278 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001034778754 711082752 /nfs/dbraw/zinc/08/27/52/711082752.db2.gz YJEPXRRJWKWYCL-BFYDXBDKSA-N 2 2 348.491 1.795 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001034884038 711287036 /nfs/dbraw/zinc/28/70/36/711287036.db2.gz ZYPPVHSDKUCWBE-ZIAGYGMSSA-N 2 2 334.468 1.103 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001034884038 711287041 /nfs/dbraw/zinc/28/70/41/711287041.db2.gz ZYPPVHSDKUCWBE-ZIAGYGMSSA-N 2 2 334.468 1.103 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001034890718 711346591 /nfs/dbraw/zinc/34/65/91/711346591.db2.gz GFRDWPDMGFEZIP-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001034890718 711346594 /nfs/dbraw/zinc/34/65/94/711346594.db2.gz GFRDWPDMGFEZIP-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001034954178 711419834 /nfs/dbraw/zinc/41/98/34/711419834.db2.gz OKUCLNAWQAJKGN-HUUCEWRRSA-N 2 2 335.452 1.333 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001034954178 711419838 /nfs/dbraw/zinc/41/98/38/711419838.db2.gz OKUCLNAWQAJKGN-HUUCEWRRSA-N 2 2 335.452 1.333 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csnn1 ZINC001034955863 711424010 /nfs/dbraw/zinc/42/40/10/711424010.db2.gz NWXAGWRKSBPYIW-HUUCEWRRSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csnn1 ZINC001034955863 711424014 /nfs/dbraw/zinc/42/40/14/711424014.db2.gz NWXAGWRKSBPYIW-HUUCEWRRSA-N 2 2 337.493 1.493 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)nn1C ZINC001004151776 711569817 /nfs/dbraw/zinc/56/98/17/711569817.db2.gz MKSWRJUTWBSOCH-UHFFFAOYSA-N 2 2 330.436 1.014 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004476007 711855693 /nfs/dbraw/zinc/85/56/93/711855693.db2.gz WTLDLQNMBFJRJP-DLBZAZTESA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004476007 711855695 /nfs/dbraw/zinc/85/56/95/711855695.db2.gz WTLDLQNMBFJRJP-DLBZAZTESA-N 2 2 346.475 1.141 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033127238 711877747 /nfs/dbraw/zinc/87/77/47/711877747.db2.gz SJFDNUUIGYMXFZ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033127238 711877748 /nfs/dbraw/zinc/87/77/48/711877748.db2.gz SJFDNUUIGYMXFZ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033127238 711877751 /nfs/dbraw/zinc/87/77/51/711877751.db2.gz SJFDNUUIGYMXFZ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033127238 711877752 /nfs/dbraw/zinc/87/77/52/711877752.db2.gz SJFDNUUIGYMXFZ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033163515 712266052 /nfs/dbraw/zinc/26/60/52/712266052.db2.gz MGQATYZVQSOMSI-ARFHVFGLSA-N 2 2 332.448 1.473 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033163515 712266055 /nfs/dbraw/zinc/26/60/55/712266055.db2.gz MGQATYZVQSOMSI-ARFHVFGLSA-N 2 2 332.448 1.473 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033163515 712266058 /nfs/dbraw/zinc/26/60/58/712266058.db2.gz MGQATYZVQSOMSI-ARFHVFGLSA-N 2 2 332.448 1.473 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033163515 712266061 /nfs/dbraw/zinc/26/60/61/712266061.db2.gz MGQATYZVQSOMSI-ARFHVFGLSA-N 2 2 332.448 1.473 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)c1c(F)cccc1F ZINC000417658878 282176114 /nfs/dbraw/zinc/17/61/14/282176114.db2.gz JYWZXONBOGEQOL-KBPBESRZSA-N 2 2 326.391 1.604 20 0 EDADLP C[NH+](C)[C@@]1(C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CCSC1 ZINC000496623982 282230558 /nfs/dbraw/zinc/23/05/58/282230558.db2.gz NSCBYINGNDARHE-JKSUJKDBSA-N 2 2 347.525 1.289 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000368589238 282251584 /nfs/dbraw/zinc/25/15/84/282251584.db2.gz IEPPSXZBSNVDKO-FGTMMUONSA-N 2 2 337.508 1.676 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000368589238 282251585 /nfs/dbraw/zinc/25/15/85/282251585.db2.gz IEPPSXZBSNVDKO-FGTMMUONSA-N 2 2 337.508 1.676 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000333320979 282328158 /nfs/dbraw/zinc/32/81/58/282328158.db2.gz UMNBKYMYZLOCOP-ZBFHGGJFSA-N 2 2 346.475 1.906 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(F)ccc3O)CC2)CC1 ZINC000175210787 530049863 /nfs/dbraw/zinc/04/98/63/530049863.db2.gz VQRRFHYCSUFIMP-UHFFFAOYSA-N 2 2 335.423 1.820 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@@H+](C2CC2)C1 ZINC000560539689 306273906 /nfs/dbraw/zinc/27/39/06/306273906.db2.gz IIMFIUZZXFOAHO-XJKSGUPXSA-N 2 2 331.464 1.997 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@H+](C2CC2)C1 ZINC000560539689 306273907 /nfs/dbraw/zinc/27/39/07/306273907.db2.gz IIMFIUZZXFOAHO-XJKSGUPXSA-N 2 2 331.464 1.997 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)([NH+](C)C)C1 ZINC000332826898 539607396 /nfs/dbraw/zinc/60/73/96/539607396.db2.gz LPGSWXAXPYZKMP-SOLBZPMBSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)([NH+](C)C)C1 ZINC000332826898 539607397 /nfs/dbraw/zinc/60/73/97/539607397.db2.gz LPGSWXAXPYZKMP-SOLBZPMBSA-N 2 2 339.528 1.042 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000343009711 539775371 /nfs/dbraw/zinc/77/53/71/539775371.db2.gz ILBJVPBJFGCPDV-AWEZNQCLSA-N 2 2 337.468 1.002 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3C)CC2)[N@H+](C)C1 ZINC000343292877 539783038 /nfs/dbraw/zinc/78/30/38/539783038.db2.gz FRPDWGKQDZBODZ-ROUUACIJSA-N 2 2 331.460 1.358 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3C)CC2)[N@@H+](C)C1 ZINC000343292877 539783042 /nfs/dbraw/zinc/78/30/42/539783042.db2.gz FRPDWGKQDZBODZ-ROUUACIJSA-N 2 2 331.460 1.358 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454634225 539839961 /nfs/dbraw/zinc/83/99/61/539839961.db2.gz CHWIEFIEWAPCKY-VQHPVUNQSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454634225 539839968 /nfs/dbraw/zinc/83/99/68/539839968.db2.gz CHWIEFIEWAPCKY-VQHPVUNQSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454634225 539839975 /nfs/dbraw/zinc/83/99/75/539839975.db2.gz CHWIEFIEWAPCKY-VQHPVUNQSA-N 2 2 338.496 1.221 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NCc1c[nH+]cn1C)[NH+]1CCOCC1 ZINC000357664710 539978290 /nfs/dbraw/zinc/97/82/90/539978290.db2.gz LHOCNJFXZUVGHX-MRXNPFEDSA-N 2 2 337.468 1.356 20 0 EDADLP Cc1csc(NC(=O)C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)n1 ZINC000562839648 306311100 /nfs/dbraw/zinc/31/11/00/306311100.db2.gz ZQKGUZQKXMBQOS-OLZOCXBDSA-N 2 2 336.461 1.090 20 0 EDADLP Cc1csc(NC(=O)C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)n1 ZINC000562839648 306311101 /nfs/dbraw/zinc/31/11/01/306311101.db2.gz ZQKGUZQKXMBQOS-OLZOCXBDSA-N 2 2 336.461 1.090 20 0 EDADLP CCC[NH+]1CCC([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000158425264 539995463 /nfs/dbraw/zinc/99/54/63/539995463.db2.gz JSYKDHMKSKNLEV-UHFFFAOYSA-N 3 2 331.508 1.797 20 0 EDADLP COC[C@H](C)[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643230283 452084086 /nfs/dbraw/zinc/08/40/86/452084086.db2.gz GLUHXBIIRYERSJ-ZOBUZTSGSA-N 2 2 325.497 1.532 20 0 EDADLP COC[C@H](C)[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643230283 452084091 /nfs/dbraw/zinc/08/40/91/452084091.db2.gz GLUHXBIIRYERSJ-ZOBUZTSGSA-N 2 2 325.497 1.532 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984355 306314826 /nfs/dbraw/zinc/31/48/26/306314826.db2.gz JNTSHGCGAHURRO-QUCCMNQESA-N 3 2 331.504 1.596 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984355 306314827 /nfs/dbraw/zinc/31/48/27/306314827.db2.gz JNTSHGCGAHURRO-QUCCMNQESA-N 3 2 331.504 1.596 20 0 EDADLP C[NH+](C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984355 306314828 /nfs/dbraw/zinc/31/48/28/306314828.db2.gz JNTSHGCGAHURRO-QUCCMNQESA-N 3 2 331.504 1.596 20 0 EDADLP C[NH+](C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984355 306314829 /nfs/dbraw/zinc/31/48/29/306314829.db2.gz JNTSHGCGAHURRO-QUCCMNQESA-N 3 2 331.504 1.596 20 0 EDADLP O[C@@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)Cn1cccn1 ZINC000562998554 306315173 /nfs/dbraw/zinc/31/51/73/306315173.db2.gz LALAHVAYYRRMAM-ZDUSSCGKSA-N 2 2 331.807 1.873 20 0 EDADLP C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)[C@@H]1c1cccnc1 ZINC000370583692 283041571 /nfs/dbraw/zinc/04/15/71/283041571.db2.gz KZBKUYIGCVVOEH-IRXDYDNUSA-N 2 2 346.475 1.301 20 0 EDADLP C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)[C@@H]1c1cccnc1 ZINC000370583692 283041574 /nfs/dbraw/zinc/04/15/74/283041574.db2.gz KZBKUYIGCVVOEH-IRXDYDNUSA-N 2 2 346.475 1.301 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000179759084 540119222 /nfs/dbraw/zinc/11/92/22/540119222.db2.gz QBRLXYMRPYURKS-UHFFFAOYSA-N 2 2 344.459 1.650 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000179759084 540119226 /nfs/dbraw/zinc/11/92/26/540119226.db2.gz QBRLXYMRPYURKS-UHFFFAOYSA-N 2 2 344.459 1.650 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000189489085 540165106 /nfs/dbraw/zinc/16/51/06/540165106.db2.gz KNPPWLLJZXMHCG-UHFFFAOYSA-N 2 2 334.464 1.741 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000189489085 540165110 /nfs/dbraw/zinc/16/51/10/540165110.db2.gz KNPPWLLJZXMHCG-UHFFFAOYSA-N 2 2 334.464 1.741 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)C[N@@H+]1C1CC1 ZINC000329049304 291084188 /nfs/dbraw/zinc/08/41/88/291084188.db2.gz VZSIIOANKBMEFX-YRWGSWDYSA-N 2 2 331.464 1.297 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)C[N@H+]1C1CC1 ZINC000329049304 291084192 /nfs/dbraw/zinc/08/41/92/291084192.db2.gz VZSIIOANKBMEFX-YRWGSWDYSA-N 2 2 331.464 1.297 20 0 EDADLP CC(C)[NH+](CCNC(=O)NC(C)(C)C[NH+]1CCOCC1)C(C)C ZINC000413037636 304051708 /nfs/dbraw/zinc/05/17/08/304051708.db2.gz GBPVKSSUZKNXHP-UHFFFAOYSA-N 2 2 328.501 1.515 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCn2cc[nH+]c2)cn1 ZINC000057128496 138154586 /nfs/dbraw/zinc/15/45/86/138154586.db2.gz QCDKONCPUFEQSI-UHFFFAOYSA-N 2 2 325.376 1.272 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459108711 295925194 /nfs/dbraw/zinc/92/51/94/295925194.db2.gz PEUZBLKMSDTNHH-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000078123756 138256315 /nfs/dbraw/zinc/25/63/15/138256315.db2.gz HYJKMODCIHNXLA-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000078123756 138256316 /nfs/dbraw/zinc/25/63/16/138256316.db2.gz HYJKMODCIHNXLA-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078123756 138256317 /nfs/dbraw/zinc/25/63/17/138256317.db2.gz HYJKMODCIHNXLA-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078123756 138256318 /nfs/dbraw/zinc/25/63/18/138256318.db2.gz HYJKMODCIHNXLA-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000088390972 138272259 /nfs/dbraw/zinc/27/22/59/138272259.db2.gz PIOYIVRHZOVGLY-ZDUSSCGKSA-N 2 2 331.424 1.927 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000090003914 138277203 /nfs/dbraw/zinc/27/72/03/138277203.db2.gz YMWIPKMYNDZXSK-ZDUSSCGKSA-N 2 2 326.404 1.211 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000090003914 138277204 /nfs/dbraw/zinc/27/72/04/138277204.db2.gz YMWIPKMYNDZXSK-ZDUSSCGKSA-N 2 2 326.404 1.211 20 0 EDADLP CCCn1nc(C)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1C ZINC000093820921 138294756 /nfs/dbraw/zinc/29/47/56/138294756.db2.gz BPALCCKYOWPYOO-GOSISDBHSA-N 2 2 347.507 1.648 20 0 EDADLP CCCn1nc(C)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1C ZINC000093820921 138294757 /nfs/dbraw/zinc/29/47/57/138294757.db2.gz BPALCCKYOWPYOO-GOSISDBHSA-N 2 2 347.507 1.648 20 0 EDADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCOC1 ZINC000133706124 138397547 /nfs/dbraw/zinc/39/75/47/138397547.db2.gz ZPUJLURDGDWARY-SJORKVTESA-N 2 2 333.480 1.393 20 0 EDADLP c1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000563731593 306346302 /nfs/dbraw/zinc/34/63/02/306346302.db2.gz MSYGEYAIPJYJCL-INIZCTEOSA-N 2 2 331.464 1.990 20 0 EDADLP c1nc(NCC2CC2)cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)[nH+]1 ZINC000563731593 306346303 /nfs/dbraw/zinc/34/63/03/306346303.db2.gz MSYGEYAIPJYJCL-INIZCTEOSA-N 2 2 331.464 1.990 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000344288999 291128923 /nfs/dbraw/zinc/12/89/23/291128923.db2.gz YNJWHYNPEIDOER-IKGGRYGDSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000344288999 291128926 /nfs/dbraw/zinc/12/89/26/291128926.db2.gz YNJWHYNPEIDOER-IKGGRYGDSA-N 2 2 338.496 1.223 20 0 EDADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCCc2ccccc21 ZINC000563968419 306353833 /nfs/dbraw/zinc/35/38/33/306353833.db2.gz AAHJXXDRBUXMOM-UHFFFAOYSA-N 2 2 339.443 1.901 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c2[nH+]ccn21 ZINC000334064080 291137259 /nfs/dbraw/zinc/13/72/59/291137259.db2.gz CKUNJDMRIHAXSW-MJBXVCDLSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c2[nH+]ccn21 ZINC000334064080 291137262 /nfs/dbraw/zinc/13/72/62/291137262.db2.gz CKUNJDMRIHAXSW-MJBXVCDLSA-N 2 2 335.452 1.376 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@H]1CCC[NH2+]C1 ZINC000564786302 306364559 /nfs/dbraw/zinc/36/45/59/306364559.db2.gz IAXNNEKUHBLCBB-AWEZNQCLSA-N 2 2 336.867 1.749 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@H]1CCC[NH2+]C1 ZINC000564786302 306364560 /nfs/dbraw/zinc/36/45/60/306364560.db2.gz IAXNNEKUHBLCBB-AWEZNQCLSA-N 2 2 336.867 1.749 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564986792 306372303 /nfs/dbraw/zinc/37/23/03/306372303.db2.gz GMWAKRGMLQUEFJ-LJQANCHMSA-N 2 2 345.443 1.512 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564986792 306372304 /nfs/dbraw/zinc/37/23/04/306372304.db2.gz GMWAKRGMLQUEFJ-LJQANCHMSA-N 2 2 345.443 1.512 20 0 EDADLP CC1CC[NH+](C[C@H](O)CN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)CC1 ZINC000565154326 306376194 /nfs/dbraw/zinc/37/61/94/306376194.db2.gz CNRVRAPYUOQJFZ-NVXWUHKLSA-N 2 2 329.448 1.577 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc[nH+]1 ZINC000185028334 138800131 /nfs/dbraw/zinc/80/01/31/138800131.db2.gz QWQCLSVEJWOQER-HZPDHXFCSA-N 2 2 346.479 1.489 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)C[NH2+]CC2CC2)c2cccs2)CC1 ZINC000565418409 306383458 /nfs/dbraw/zinc/38/34/58/306383458.db2.gz LKAUAVNRHCQFFT-HNNXBMFYSA-N 2 2 336.505 1.152 20 0 EDADLP CN(C(=O)COc1ccccc1O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000359975846 201121323 /nfs/dbraw/zinc/12/13/23/201121323.db2.gz FMHRKVFIDJUJPB-INIZCTEOSA-N 2 2 347.459 1.398 20 0 EDADLP CN(C(=O)COc1ccccc1O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000359975846 201121327 /nfs/dbraw/zinc/12/13/27/201121327.db2.gz FMHRKVFIDJUJPB-INIZCTEOSA-N 2 2 347.459 1.398 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000136322721 201131145 /nfs/dbraw/zinc/13/11/45/201131145.db2.gz PVSPSJKPGRZITG-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC(C)(C)[NH+]3CCOCC3)CC[C@H]21 ZINC000136322721 201131148 /nfs/dbraw/zinc/13/11/48/201131148.db2.gz PVSPSJKPGRZITG-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565587757 306387344 /nfs/dbraw/zinc/38/73/44/306387344.db2.gz KPAGXDNDOMGDSA-SJLPKXTDSA-N 2 2 339.443 1.682 20 0 EDADLP CS(=O)(=O)CC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000414323036 304106036 /nfs/dbraw/zinc/10/60/36/304106036.db2.gz GNWAOZSZSYZKSY-UHFFFAOYSA-N 2 2 337.489 1.855 20 0 EDADLP COCCOC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000294993625 201347356 /nfs/dbraw/zinc/34/73/56/201347356.db2.gz QZCSTSCCIOPGLK-LJQANCHMSA-N 2 2 336.476 1.607 20 0 EDADLP COCCOC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000294993625 201347360 /nfs/dbraw/zinc/34/73/60/201347360.db2.gz QZCSTSCCIOPGLK-LJQANCHMSA-N 2 2 336.476 1.607 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)n1C ZINC000414358092 304111650 /nfs/dbraw/zinc/11/16/50/304111650.db2.gz KZRCYTQSBCTPMR-UHFFFAOYSA-N 2 2 347.438 1.752 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)n1C ZINC000414362399 304111999 /nfs/dbraw/zinc/11/19/99/304111999.db2.gz SCKWVHVBKSSIAQ-OAHLLOKOSA-N 3 2 343.479 1.634 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694249 304128562 /nfs/dbraw/zinc/12/85/62/304128562.db2.gz MZNDCUUVORBDIL-IEBWSBKVSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694249 304128564 /nfs/dbraw/zinc/12/85/64/304128564.db2.gz MZNDCUUVORBDIL-IEBWSBKVSA-N 2 2 344.503 1.390 20 0 EDADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000246089146 284001281 /nfs/dbraw/zinc/00/12/81/284001281.db2.gz IHZQJWMDVYPESS-RBUKOAKNSA-N 2 2 342.487 1.157 20 0 EDADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000246089146 284001283 /nfs/dbraw/zinc/00/12/83/284001283.db2.gz IHZQJWMDVYPESS-RBUKOAKNSA-N 2 2 342.487 1.157 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000109949779 220005532 /nfs/dbraw/zinc/00/55/32/220005532.db2.gz AEALEZWKIXCONC-HZPDHXFCSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000109949779 220005533 /nfs/dbraw/zinc/00/55/33/220005533.db2.gz AEALEZWKIXCONC-HZPDHXFCSA-N 2 2 331.460 1.270 20 0 EDADLP C(c1nnnn1C1CCOCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000566892983 306431855 /nfs/dbraw/zinc/43/18/55/306431855.db2.gz MBTIZOIXWDWFKS-UHFFFAOYSA-N 2 2 334.468 1.332 20 0 EDADLP CN(C)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000077201788 203376236 /nfs/dbraw/zinc/37/62/36/203376236.db2.gz FPRYBHQKDMMRAQ-UHFFFAOYSA-N 2 2 348.495 1.637 20 0 EDADLP CN(C)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000077201788 203376238 /nfs/dbraw/zinc/37/62/38/203376238.db2.gz FPRYBHQKDMMRAQ-UHFFFAOYSA-N 2 2 348.495 1.637 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415042549 304153824 /nfs/dbraw/zinc/15/38/24/304153824.db2.gz QQLBVKSRQGMCOY-NSHDSACASA-N 2 2 336.358 1.138 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000104717517 204116906 /nfs/dbraw/zinc/11/69/06/204116906.db2.gz YHGXVQHRFMGBCP-MRXNPFEDSA-N 2 2 343.427 1.652 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1 ZINC000104717155 204117139 /nfs/dbraw/zinc/11/71/39/204117139.db2.gz LCMMHTKMLVJWEP-QGZVFWFLSA-N 2 2 327.428 1.816 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000105269299 204139824 /nfs/dbraw/zinc/13/98/24/204139824.db2.gz UMIJNMJYMGYVAI-OAHLLOKOSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)[N@@H+](C)C1CC1 ZINC000105269299 204139829 /nfs/dbraw/zinc/13/98/29/204139829.db2.gz UMIJNMJYMGYVAI-OAHLLOKOSA-N 2 2 331.464 1.392 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)[nH+]c1 ZINC000106533108 204202808 /nfs/dbraw/zinc/20/28/08/204202808.db2.gz YOIRKUIIQKFHLB-INIZCTEOSA-N 2 2 348.495 1.127 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)[nH+]c1 ZINC000106533108 204202811 /nfs/dbraw/zinc/20/28/11/204202811.db2.gz YOIRKUIIQKFHLB-INIZCTEOSA-N 2 2 348.495 1.127 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000110921716 204327339 /nfs/dbraw/zinc/32/73/39/204327339.db2.gz UZTGLSGQLAQJKZ-UHFFFAOYSA-N 2 2 342.443 1.726 20 0 EDADLP CC(C)c1noc([C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000195519267 139019582 /nfs/dbraw/zinc/01/95/82/139019582.db2.gz IBQDVNHTYHYAKQ-ZDUSSCGKSA-N 2 2 337.468 1.644 20 0 EDADLP CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000236729909 139029828 /nfs/dbraw/zinc/02/98/28/139029828.db2.gz MNTUYIHBRCEKHQ-QGZVFWFLSA-N 2 2 346.475 1.723 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000236914417 139035061 /nfs/dbraw/zinc/03/50/61/139035061.db2.gz JLRGAVILKQAYCI-KDOFPFPSSA-N 2 2 346.475 1.579 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415163292 304168571 /nfs/dbraw/zinc/16/85/71/304168571.db2.gz XKYMFHJBOCYBKM-AWEZNQCLSA-N 2 2 329.404 1.836 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000237172025 139042896 /nfs/dbraw/zinc/04/28/96/139042896.db2.gz FRGXHHWDKUZQBS-CQSZACIVSA-N 2 2 335.448 1.204 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000130431160 205238752 /nfs/dbraw/zinc/23/87/52/205238752.db2.gz SZQWXEOXGQEQOG-UHFFFAOYSA-N 2 2 341.415 1.499 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000130431160 205238757 /nfs/dbraw/zinc/23/87/57/205238757.db2.gz SZQWXEOXGQEQOG-UHFFFAOYSA-N 2 2 341.415 1.499 20 0 EDADLP C[C@@H](C(=O)N[C@](C)(C[NH3+])C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237510231 139052956 /nfs/dbraw/zinc/05/29/56/139052956.db2.gz JDTURTNGAZLKRK-IFXJQAMLSA-N 2 2 348.466 1.580 20 0 EDADLP C[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC[NH2+]1 ZINC000237590523 139055001 /nfs/dbraw/zinc/05/50/01/139055001.db2.gz FRLDIJUJNKDIID-HKUYNNGSSA-N 2 2 331.460 1.536 20 0 EDADLP C[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC[NH2+]1 ZINC000237590523 139055002 /nfs/dbraw/zinc/05/50/02/139055002.db2.gz FRLDIJUJNKDIID-HKUYNNGSSA-N 2 2 331.460 1.536 20 0 EDADLP [NH3+]C[C@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000237803934 139060797 /nfs/dbraw/zinc/06/07/97/139060797.db2.gz YTLZGXYZRSULMX-IBGZPJMESA-N 2 2 339.439 1.779 20 0 EDADLP O=C([C@@H]1CCC[NH2+]1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000237805367 139060871 /nfs/dbraw/zinc/06/08/71/139060871.db2.gz RWKFCHDUUAFFRD-HNNXBMFYSA-N 2 2 347.850 1.384 20 0 EDADLP C[C@@H](CCn1cccn1)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000157562694 206144264 /nfs/dbraw/zinc/14/42/64/206144264.db2.gz KBYJJEYKGCZHKK-KRWDZBQOSA-N 2 2 343.479 1.254 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246262824 139101559 /nfs/dbraw/zinc/10/15/59/139101559.db2.gz ZAWDSHOGALLOMN-CABCVRRESA-N 2 2 344.459 1.530 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246262824 139101560 /nfs/dbraw/zinc/10/15/60/139101560.db2.gz ZAWDSHOGALLOMN-CABCVRRESA-N 2 2 344.459 1.530 20 0 EDADLP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000246458059 139109151 /nfs/dbraw/zinc/10/91/51/139109151.db2.gz PLMFEYXVCZWTFC-ULQDDVLXSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000246458059 139109152 /nfs/dbraw/zinc/10/91/52/139109152.db2.gz PLMFEYXVCZWTFC-ULQDDVLXSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000246575554 139113535 /nfs/dbraw/zinc/11/35/35/139113535.db2.gz YGGCOXOCGOKULG-QGPMSJSTSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000246575554 139113536 /nfs/dbraw/zinc/11/35/36/139113536.db2.gz YGGCOXOCGOKULG-QGPMSJSTSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000105070562 206437819 /nfs/dbraw/zinc/43/78/19/206437819.db2.gz SVKFXAUOBUMBMG-UONOGXRCSA-N 2 2 340.512 1.704 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329736665 284704118 /nfs/dbraw/zinc/70/41/18/284704118.db2.gz LPMWMEXPCHADMI-SFHVURJKSA-N 2 2 340.427 1.478 20 0 EDADLP C[C@@H]1CCN(S(=O)(=O)CC[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000249037970 139183615 /nfs/dbraw/zinc/18/36/15/139183615.db2.gz YCVDAWWSYUOUDJ-HUUCEWRRSA-N 2 2 326.466 1.192 20 0 EDADLP CC(C)OC[C@@H](O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534333 139195223 /nfs/dbraw/zinc/19/52/23/139195223.db2.gz BYVSRDAEEWXFMO-OALUTQOASA-N 2 2 336.476 1.341 20 0 EDADLP CC(C)OC[C@@H](O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534333 139195224 /nfs/dbraw/zinc/19/52/24/139195224.db2.gz BYVSRDAEEWXFMO-OALUTQOASA-N 2 2 336.476 1.341 20 0 EDADLP CC(C)OC[C@@H](O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249534333 139195225 /nfs/dbraw/zinc/19/52/25/139195225.db2.gz BYVSRDAEEWXFMO-OALUTQOASA-N 2 2 336.476 1.341 20 0 EDADLP CC(C)OC[C@@H](O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249534333 139195226 /nfs/dbraw/zinc/19/52/26/139195226.db2.gz BYVSRDAEEWXFMO-OALUTQOASA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000252652712 139204979 /nfs/dbraw/zinc/20/49/79/139204979.db2.gz FDONYLPPAHHUAK-PVAVHDDUSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000252652712 139204980 /nfs/dbraw/zinc/20/49/80/139204980.db2.gz FDONYLPPAHHUAK-PVAVHDDUSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000252652712 139204981 /nfs/dbraw/zinc/20/49/81/139204981.db2.gz FDONYLPPAHHUAK-PVAVHDDUSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000252652712 139204982 /nfs/dbraw/zinc/20/49/82/139204982.db2.gz FDONYLPPAHHUAK-PVAVHDDUSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000261602604 139209912 /nfs/dbraw/zinc/20/99/12/139209912.db2.gz ANIVNJPRCOIKGZ-AEFFLSMTSA-N 2 2 335.423 1.396 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000261602604 139209913 /nfs/dbraw/zinc/20/99/13/139209913.db2.gz ANIVNJPRCOIKGZ-AEFFLSMTSA-N 2 2 335.423 1.396 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261719012 139220185 /nfs/dbraw/zinc/22/01/85/139220185.db2.gz CGOLNELHYDGBOB-KRWDZBQOSA-N 2 2 330.432 1.605 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@H]([NH+]4CCCC4)C[C@H]3C)nc[nH+]2)C1 ZINC000413280218 250707915 /nfs/dbraw/zinc/70/79/15/250707915.db2.gz KHQCCVTYCXILON-YYIAUSFCSA-N 2 2 345.491 1.747 20 0 EDADLP COc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(Cl)c1OC ZINC000261973791 139241137 /nfs/dbraw/zinc/24/11/37/139241137.db2.gz ZHRVMEDRHXCUDV-AWEZNQCLSA-N 2 2 339.867 1.837 20 0 EDADLP c1cn(-c2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000261991366 139242245 /nfs/dbraw/zinc/24/22/45/139242245.db2.gz SSSQPQYRKKFUGM-BBWFWOEESA-N 3 2 327.432 1.514 20 0 EDADLP O=C(CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000261999501 139242955 /nfs/dbraw/zinc/24/29/55/139242955.db2.gz TZNNUSPLDBGLSU-QGZVFWFLSA-N 2 2 342.487 1.193 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000262183213 139257993 /nfs/dbraw/zinc/25/79/93/139257993.db2.gz IYNRXUXMFWESPO-APWZRJJASA-N 2 2 346.475 1.258 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)C1 ZINC000416990748 251119325 /nfs/dbraw/zinc/11/93/25/251119325.db2.gz FQKXMWOYTVQXQS-MSOLQXFVSA-N 2 2 346.475 1.372 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)[NH+]2CCOCC2)c1 ZINC000417005381 251126634 /nfs/dbraw/zinc/12/66/34/251126634.db2.gz YKTQJHJEIXMWGI-MSOLQXFVSA-N 2 2 348.491 1.651 20 0 EDADLP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000417521817 251183326 /nfs/dbraw/zinc/18/33/26/251183326.db2.gz PVCUFAJJIRGLQO-SJORKVTESA-N 2 2 348.491 1.656 20 0 EDADLP COCC[NH2+]CCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417652953 251213719 /nfs/dbraw/zinc/21/37/19/251213719.db2.gz ASTFZNCOXUXEQY-CQSZACIVSA-N 2 2 344.406 1.103 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C[C@@H]1[NH3+] ZINC000417662938 251217506 /nfs/dbraw/zinc/21/75/06/251217506.db2.gz TXERWYFXYFDPJY-SWHYSGLUSA-N 2 2 326.391 1.556 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000417663272 251219575 /nfs/dbraw/zinc/21/95/75/251219575.db2.gz UQDHPJPSFIMQNJ-ZOWXZIJZSA-N 2 2 340.418 1.946 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417603394 251204308 /nfs/dbraw/zinc/20/43/08/251204308.db2.gz RFKKCNGKIWBPTA-QZTJIDSGSA-N 2 2 348.491 1.212 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H](C)C2C[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000262441479 139279256 /nfs/dbraw/zinc/27/92/56/139279256.db2.gz UXIFLZGBZVGTOU-QAPCUYQASA-N 2 2 331.460 1.340 20 0 EDADLP [NH3+][C@@H](CNC(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000417830882 251288305 /nfs/dbraw/zinc/28/83/05/251288305.db2.gz BQSNZMNKKNPQFL-INIZCTEOSA-N 2 2 327.432 1.662 20 0 EDADLP C[C@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C[C@@H]1[NH3+] ZINC000417846677 251295040 /nfs/dbraw/zinc/29/50/40/251295040.db2.gz PWKWNHYQMFZLQG-HOCLYGCPSA-N 2 2 327.432 1.614 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000417811198 251278973 /nfs/dbraw/zinc/27/89/73/251278973.db2.gz DDAODHTXCUNEHT-HZPDHXFCSA-N 3 2 347.507 1.762 20 0 EDADLP CCn1c[nH+]cc1CNc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000417816833 251283173 /nfs/dbraw/zinc/28/31/73/251283173.db2.gz CXNKILPMCWYKSY-KRWDZBQOSA-N 2 2 327.432 1.965 20 0 EDADLP CCn1c[nH+]cc1CNc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000417816833 251283175 /nfs/dbraw/zinc/28/31/75/251283175.db2.gz CXNKILPMCWYKSY-KRWDZBQOSA-N 2 2 327.432 1.965 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417944237 251317308 /nfs/dbraw/zinc/31/73/08/251317308.db2.gz CCVZYEBLSPJCFZ-MISXLKTNSA-N 2 2 326.391 1.745 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417944237 251317310 /nfs/dbraw/zinc/31/73/10/251317310.db2.gz CCVZYEBLSPJCFZ-MISXLKTNSA-N 2 2 326.391 1.745 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944554 251317687 /nfs/dbraw/zinc/31/76/87/251317687.db2.gz CMBYTUFZWAXNLI-TUKIKUTGSA-N 2 2 326.391 1.747 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944554 251317692 /nfs/dbraw/zinc/31/76/92/251317692.db2.gz CMBYTUFZWAXNLI-TUKIKUTGSA-N 2 2 326.391 1.747 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418436954 251370207 /nfs/dbraw/zinc/37/02/07/251370207.db2.gz WZRFUKIONOEUDM-DLBZAZTESA-N 2 2 331.464 1.426 20 0 EDADLP C[C@@H](NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000418722553 251398514 /nfs/dbraw/zinc/39/85/14/251398514.db2.gz LMHIXUYPSDQGHF-BFHYXJOUSA-N 2 2 340.493 1.499 20 0 EDADLP Cc1ncncc1[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000569500116 306509120 /nfs/dbraw/zinc/50/91/20/306509120.db2.gz ABHXFXSVYKKQRQ-ZFWWWQNUSA-N 2 2 328.420 1.360 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422874495 252007995 /nfs/dbraw/zinc/00/79/95/252007995.db2.gz DAYAEBBNXXRCOW-HOCLYGCPSA-N 2 2 349.475 1.830 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000423345729 252047800 /nfs/dbraw/zinc/04/78/00/252047800.db2.gz GDKLUGQQNIMYRU-INIZCTEOSA-N 2 2 330.432 1.140 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)cc[nH+]1 ZINC000423775889 252069127 /nfs/dbraw/zinc/06/91/27/252069127.db2.gz DJVIJINGWYKETD-HZPDHXFCSA-N 2 2 331.464 1.731 20 0 EDADLP COC(=O)CC1CC([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000424269254 252186218 /nfs/dbraw/zinc/18/62/18/252186218.db2.gz MEQHGOVYQFXLQI-UHFFFAOYSA-N 3 2 346.475 1.525 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478308 296358364 /nfs/dbraw/zinc/35/83/64/296358364.db2.gz CLZXDXCWLTWDRA-BRWVUGGUSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478308 296358367 /nfs/dbraw/zinc/35/83/67/296358367.db2.gz CLZXDXCWLTWDRA-BRWVUGGUSA-N 2 2 325.497 1.581 20 0 EDADLP O=S1(=O)CC[C@@H]([NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000269387758 285066349 /nfs/dbraw/zinc/06/63/49/285066349.db2.gz UKIVJTPAVBTMIC-CQSZACIVSA-N 2 2 331.441 1.544 20 0 EDADLP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000263229842 139329683 /nfs/dbraw/zinc/32/96/83/139329683.db2.gz NGQIQXHTPQQVSL-NVXWUHKLSA-N 2 2 347.846 1.984 20 0 EDADLP COCC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363812962 285129788 /nfs/dbraw/zinc/12/97/88/285129788.db2.gz FGEBKGAFPKBLAJ-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP COCC[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363812962 285129789 /nfs/dbraw/zinc/12/97/89/285129789.db2.gz FGEBKGAFPKBLAJ-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CCC(N(C2CC2)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000377029510 285186946 /nfs/dbraw/zinc/18/69/46/285186946.db2.gz IYZQKXGEXZJOIJ-QFBILLFUSA-N 2 2 336.524 1.645 20 0 EDADLP CN(C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)S(C)(=O)=O ZINC000263701803 139353896 /nfs/dbraw/zinc/35/38/96/139353896.db2.gz LPCWDJJAEXBZSB-UHFFFAOYSA-N 2 2 348.472 1.728 20 0 EDADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H](C)C1 ZINC000488723259 255050805 /nfs/dbraw/zinc/05/08/05/255050805.db2.gz QMDBYRUOVXZFMW-XHSDSOJGSA-N 2 2 331.464 1.480 20 0 EDADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H](C)C1 ZINC000488723259 255050807 /nfs/dbraw/zinc/05/08/07/255050807.db2.gz QMDBYRUOVXZFMW-XHSDSOJGSA-N 2 2 331.464 1.480 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000490969634 255113893 /nfs/dbraw/zinc/11/38/93/255113893.db2.gz NGBVUDRJPOTACX-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000490969634 255113895 /nfs/dbraw/zinc/11/38/95/255113895.db2.gz NGBVUDRJPOTACX-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000490969634 255113897 /nfs/dbraw/zinc/11/38/97/255113897.db2.gz NGBVUDRJPOTACX-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000490969634 255113899 /nfs/dbraw/zinc/11/38/99/255113899.db2.gz NGBVUDRJPOTACX-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP C[N@@H+]1CC[C@](O)(CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000492585676 255181444 /nfs/dbraw/zinc/18/14/44/255181444.db2.gz XTVGMJIWQGQFRL-UKTKYZJWSA-N 2 2 326.400 1.068 20 0 EDADLP C[N@H+]1CC[C@](O)(CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000492585676 255181445 /nfs/dbraw/zinc/18/14/45/255181445.db2.gz XTVGMJIWQGQFRL-UKTKYZJWSA-N 2 2 326.400 1.068 20 0 EDADLP C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000494236955 255242847 /nfs/dbraw/zinc/24/28/47/255242847.db2.gz HNZXFYSWNXXVSF-YOEHRIQHSA-N 2 2 337.489 1.549 20 0 EDADLP CC[C@@H]1CN(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000494465639 255251681 /nfs/dbraw/zinc/25/16/81/255251681.db2.gz CBDWQBXASUSBFR-RLLQIKCJSA-N 2 2 346.519 1.992 20 0 EDADLP CC[C@@H]1CN(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000494465639 255251682 /nfs/dbraw/zinc/25/16/82/255251682.db2.gz CBDWQBXASUSBFR-RLLQIKCJSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@H]([C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCOCC1 ZINC000117791990 221089928 /nfs/dbraw/zinc/08/99/28/221089928.db2.gz TYKNTIOTRXCOEX-LSDHHAIUSA-N 2 2 328.416 1.711 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119588043 221354512 /nfs/dbraw/zinc/35/45/12/221354512.db2.gz BVIOFPAEGSMSSE-UBLGTCEWSA-N 2 2 348.535 1.677 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119588043 221354513 /nfs/dbraw/zinc/35/45/13/221354513.db2.gz BVIOFPAEGSMSSE-UBLGTCEWSA-N 2 2 348.535 1.677 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119588043 221354515 /nfs/dbraw/zinc/35/45/15/221354515.db2.gz BVIOFPAEGSMSSE-UBLGTCEWSA-N 2 2 348.535 1.677 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119588043 221354516 /nfs/dbraw/zinc/35/45/16/221354516.db2.gz BVIOFPAEGSMSSE-UBLGTCEWSA-N 2 2 348.535 1.677 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)C1 ZINC000261668615 285356009 /nfs/dbraw/zinc/35/60/09/285356009.db2.gz ABNAWOOMYBCKFL-HZPDHXFCSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)C1 ZINC000261668615 285356010 /nfs/dbraw/zinc/35/60/10/285356010.db2.gz ABNAWOOMYBCKFL-HZPDHXFCSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000264308377 139395997 /nfs/dbraw/zinc/39/59/97/139395997.db2.gz UKHZNBMBKRJWNL-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000264308377 139395998 /nfs/dbraw/zinc/39/59/98/139395998.db2.gz UKHZNBMBKRJWNL-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264308377 139395999 /nfs/dbraw/zinc/39/59/99/139395999.db2.gz UKHZNBMBKRJWNL-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264308377 139396000 /nfs/dbraw/zinc/39/60/00/139396000.db2.gz UKHZNBMBKRJWNL-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000270655430 140141953 /nfs/dbraw/zinc/14/19/53/140141953.db2.gz MYCLAEFUXCCYIY-UHFFFAOYSA-N 2 2 326.444 1.887 20 0 EDADLP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000270714245 140153697 /nfs/dbraw/zinc/15/36/97/140153697.db2.gz CHDQRGPOCSRPGO-CVEARBPZSA-N 2 2 340.418 1.913 20 0 EDADLP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000270714245 140153698 /nfs/dbraw/zinc/15/36/98/140153698.db2.gz CHDQRGPOCSRPGO-CVEARBPZSA-N 2 2 340.418 1.913 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000331903997 292037335 /nfs/dbraw/zinc/03/73/35/292037335.db2.gz MCKSZVZIHROLRW-CVEARBPZSA-N 2 2 342.443 1.708 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000331903997 292037337 /nfs/dbraw/zinc/03/73/37/292037337.db2.gz MCKSZVZIHROLRW-CVEARBPZSA-N 2 2 342.443 1.708 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000271167895 140249900 /nfs/dbraw/zinc/24/99/00/140249900.db2.gz CGXHPQXRPWMPTI-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000271167895 140249901 /nfs/dbraw/zinc/24/99/01/140249901.db2.gz CGXHPQXRPWMPTI-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000271188019 140253556 /nfs/dbraw/zinc/25/35/56/140253556.db2.gz ZXJZJJCHQAOCFW-IAGOWNOFSA-N 2 2 346.475 1.255 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000271188021 140253691 /nfs/dbraw/zinc/25/36/91/140253691.db2.gz ZXJZJJCHQAOCFW-SJORKVTESA-N 2 2 346.475 1.255 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)ccc2[nH+]1 ZINC000271775509 140348303 /nfs/dbraw/zinc/34/83/03/140348303.db2.gz GULSZTHWQUZGLQ-UONOGXRCSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)ccc2[nH+]1 ZINC000271775509 140348305 /nfs/dbraw/zinc/34/83/05/140348305.db2.gz GULSZTHWQUZGLQ-UONOGXRCSA-N 2 2 331.420 1.562 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000416303056 304307051 /nfs/dbraw/zinc/30/70/51/304307051.db2.gz GOKQYIXYLQATNE-JKSUJKDBSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000416303056 304307053 /nfs/dbraw/zinc/30/70/53/304307053.db2.gz GOKQYIXYLQATNE-JKSUJKDBSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@@H]1[NH3+] ZINC000331521460 141042388 /nfs/dbraw/zinc/04/23/88/141042388.db2.gz JQLNAGGBHAQCCA-ZBFHGGJFSA-N 2 2 331.464 1.951 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(N)=O ZINC000331913656 141097246 /nfs/dbraw/zinc/09/72/46/141097246.db2.gz YYIWGGBFBLDHCE-HUUCEWRRSA-N 2 2 345.447 1.223 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(N)=O ZINC000331913656 141097247 /nfs/dbraw/zinc/09/72/47/141097247.db2.gz YYIWGGBFBLDHCE-HUUCEWRRSA-N 2 2 345.447 1.223 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CC[NH2+][C@H](C)C3)c[nH+]2)CC1 ZINC000331998169 141108600 /nfs/dbraw/zinc/10/86/00/141108600.db2.gz BLYPJWJJYSESFF-OAHLLOKOSA-N 2 2 331.464 1.821 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)s1 ZINC000332531751 141197434 /nfs/dbraw/zinc/19/74/34/141197434.db2.gz YFJJCQURSDMYRO-KBPBESRZSA-N 2 2 337.493 1.549 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333327154 141300023 /nfs/dbraw/zinc/30/00/23/141300023.db2.gz QKFBBCSHGRHFAG-QGZVFWFLSA-N 2 2 346.475 1.646 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333327154 141300024 /nfs/dbraw/zinc/30/00/24/141300024.db2.gz QKFBBCSHGRHFAG-QGZVFWFLSA-N 2 2 346.475 1.646 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333407471 141312951 /nfs/dbraw/zinc/31/29/51/141312951.db2.gz QSTVPMXLPLWECX-CVEARBPZSA-N 2 2 338.496 1.128 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333407471 141312952 /nfs/dbraw/zinc/31/29/52/141312952.db2.gz QSTVPMXLPLWECX-CVEARBPZSA-N 2 2 338.496 1.128 20 0 EDADLP O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000333495931 141326648 /nfs/dbraw/zinc/32/66/48/141326648.db2.gz DWWAUSVJEKMVCX-ABHNRTSZSA-N 2 2 349.523 1.083 20 0 EDADLP O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000333495931 141326650 /nfs/dbraw/zinc/32/66/50/141326650.db2.gz DWWAUSVJEKMVCX-ABHNRTSZSA-N 2 2 349.523 1.083 20 0 EDADLP [NH3+]C1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C2CC3CC(C2)CC1C3 ZINC000333637249 141348718 /nfs/dbraw/zinc/34/87/18/141348718.db2.gz TZRMMAHHSPERCZ-IRJKRNAASA-N 2 2 343.475 1.651 20 0 EDADLP Cc1cc(C)c(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c[nH+]1 ZINC000333658883 141351662 /nfs/dbraw/zinc/35/16/62/141351662.db2.gz LSCZENLIKCIZDB-ROUUACIJSA-N 2 2 346.475 1.875 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)s1 ZINC000333663769 141352434 /nfs/dbraw/zinc/35/24/34/141352434.db2.gz MAAMOWLGMMDNEK-WFASDCNBSA-N 2 2 337.493 1.277 20 0 EDADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000333737746 141369803 /nfs/dbraw/zinc/36/98/03/141369803.db2.gz XEBVSNZJJSIQAJ-HIFRSBDPSA-N 2 2 337.493 1.501 20 0 EDADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000333737746 141369806 /nfs/dbraw/zinc/36/98/06/141369806.db2.gz XEBVSNZJJSIQAJ-HIFRSBDPSA-N 2 2 337.493 1.501 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333812788 141386427 /nfs/dbraw/zinc/38/64/27/141386427.db2.gz PVAJZXUPAUJSNH-MRXNPFEDSA-N 2 2 345.491 1.793 20 0 EDADLP CC[N@@H+]1CC[C@@H]2OCCN(CCc3[nH+]c4ccccc4n3C)[C@@H]2C1 ZINC000339389578 142034765 /nfs/dbraw/zinc/03/47/65/142034765.db2.gz HCNLARDBUURSBJ-MSOLQXFVSA-N 2 2 328.460 1.911 20 0 EDADLP CC[N@H+]1CC[C@@H]2OCCN(CCc3[nH+]c4ccccc4n3C)[C@@H]2C1 ZINC000339389578 142034766 /nfs/dbraw/zinc/03/47/66/142034766.db2.gz HCNLARDBUURSBJ-MSOLQXFVSA-N 2 2 328.460 1.911 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339745709 142142639 /nfs/dbraw/zinc/14/26/39/142142639.db2.gz IXFGNKCFKGIHKI-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000339745709 142142640 /nfs/dbraw/zinc/14/26/40/142142640.db2.gz IXFGNKCFKGIHKI-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340256108 142321715 /nfs/dbraw/zinc/32/17/15/142321715.db2.gz XKUXXDAFWVGQRA-INIZCTEOSA-N 3 2 341.544 1.288 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2CCSCC2)CC1 ZINC000340256937 142321719 /nfs/dbraw/zinc/32/17/19/142321719.db2.gz ZMEFWCHIZASHED-UHFFFAOYSA-N 2 2 328.526 1.455 20 0 EDADLP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cn2cc[nH+]c12 ZINC000340306961 142336524 /nfs/dbraw/zinc/33/65/24/142336524.db2.gz KDNOQIUPAVVBTR-HNNXBMFYSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cn2cc[nH+]c12 ZINC000340306961 142336526 /nfs/dbraw/zinc/33/65/26/142336526.db2.gz KDNOQIUPAVVBTR-HNNXBMFYSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)[C@@H]3CC[NH2+]CC3(F)F)CC2)[nH+]c1 ZINC000343448146 142846175 /nfs/dbraw/zinc/84/61/75/142846175.db2.gz ZLXGLUCOEJDYRD-AWEZNQCLSA-N 2 2 338.402 1.720 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000344970889 143033065 /nfs/dbraw/zinc/03/30/65/143033065.db2.gz JNXQFCSFEMLGJT-KBPBESRZSA-N 2 2 349.479 1.890 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000345712462 143124459 /nfs/dbraw/zinc/12/44/59/143124459.db2.gz KZBHPFRXBFVGEE-ZDUSSCGKSA-N 2 2 331.794 1.967 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000345877584 143142390 /nfs/dbraw/zinc/14/23/90/143142390.db2.gz HXROMGASMPEDPH-INIZCTEOSA-N 2 2 340.512 1.071 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000345877584 143142391 /nfs/dbraw/zinc/14/23/91/143142391.db2.gz HXROMGASMPEDPH-INIZCTEOSA-N 2 2 340.512 1.071 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000345877584 143142392 /nfs/dbraw/zinc/14/23/92/143142392.db2.gz HXROMGASMPEDPH-INIZCTEOSA-N 2 2 340.512 1.071 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000345877584 143142393 /nfs/dbraw/zinc/14/23/93/143142393.db2.gz HXROMGASMPEDPH-INIZCTEOSA-N 2 2 340.512 1.071 20 0 EDADLP C[C@H]([C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1)N1CCOCC1 ZINC000346061710 143163156 /nfs/dbraw/zinc/16/31/56/143163156.db2.gz BAOUKWYJRNEDQQ-DLBZAZTESA-N 2 2 332.492 1.745 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000346216937 143179933 /nfs/dbraw/zinc/17/99/33/143179933.db2.gz INVOZZMSZPNEGW-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000346216937 143179934 /nfs/dbraw/zinc/17/99/34/143179934.db2.gz INVOZZMSZPNEGW-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000346555827 143216150 /nfs/dbraw/zinc/21/61/50/143216150.db2.gz WPAJHNPWMBZDHJ-BBRMVZONSA-N 2 2 339.867 1.780 20 0 EDADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000346562549 143216878 /nfs/dbraw/zinc/21/68/78/143216878.db2.gz QBTCMXNUMSSYLK-RTBURBONSA-N 2 2 335.492 1.134 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[N@H+](C)CC2(C)C)CC1 ZINC000346894207 143257385 /nfs/dbraw/zinc/25/73/85/143257385.db2.gz AVRGHOZVJFCAOG-UHFFFAOYSA-N 2 2 333.480 1.185 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[N@@H+](C)CC2(C)C)CC1 ZINC000346894207 143257386 /nfs/dbraw/zinc/25/73/86/143257386.db2.gz AVRGHOZVJFCAOG-UHFFFAOYSA-N 2 2 333.480 1.185 20 0 EDADLP C[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCOCC1 ZINC000347157986 143288896 /nfs/dbraw/zinc/28/88/96/143288896.db2.gz JJFTYLBSNLMTKB-INIZCTEOSA-N 2 2 346.475 1.477 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414214 143318335 /nfs/dbraw/zinc/31/83/35/143318335.db2.gz FJQUPEMDWQLJDK-HOJAQTOUSA-N 3 2 331.504 1.943 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414214 143318336 /nfs/dbraw/zinc/31/83/36/143318336.db2.gz FJQUPEMDWQLJDK-HOJAQTOUSA-N 3 2 331.504 1.943 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414214 143318337 /nfs/dbraw/zinc/31/83/37/143318337.db2.gz FJQUPEMDWQLJDK-HOJAQTOUSA-N 3 2 331.504 1.943 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414214 143318338 /nfs/dbraw/zinc/31/83/38/143318338.db2.gz FJQUPEMDWQLJDK-HOJAQTOUSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)c[nH+]2)CCO1 ZINC000347477366 143326566 /nfs/dbraw/zinc/32/65/66/143326566.db2.gz PYDSJAHXCBAGOS-RDTXWAMCSA-N 2 2 340.427 1.623 20 0 EDADLP Cc1cc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)cc(C)c1O ZINC000348006472 143390480 /nfs/dbraw/zinc/39/04/80/143390480.db2.gz NGRZVHVCMRWFKE-UHFFFAOYSA-N 2 2 335.492 1.489 20 0 EDADLP COCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cn1 ZINC000369672876 155133276 /nfs/dbraw/zinc/13/32/76/155133276.db2.gz UXRSODZQHYSQKP-WMZOPIPTSA-N 2 2 346.479 1.436 20 0 EDADLP COCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cn1 ZINC000369672876 155133278 /nfs/dbraw/zinc/13/32/78/155133278.db2.gz UXRSODZQHYSQKP-WMZOPIPTSA-N 2 2 346.479 1.436 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416860328 304352766 /nfs/dbraw/zinc/35/27/66/304352766.db2.gz IBXAITVVMYHKCP-IBGZPJMESA-N 2 2 346.475 1.399 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCC[C@H]1O ZINC000352660462 149104358 /nfs/dbraw/zinc/10/43/58/149104358.db2.gz SFTVJAOJSZOTTJ-JKSUJKDBSA-N 2 2 337.489 1.238 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCC[C@H]1O ZINC000352660462 149104362 /nfs/dbraw/zinc/10/43/62/149104362.db2.gz SFTVJAOJSZOTTJ-JKSUJKDBSA-N 2 2 337.489 1.238 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000369904557 155223702 /nfs/dbraw/zinc/22/37/02/155223702.db2.gz NIOGIALVAQJXOW-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000369904557 155223703 /nfs/dbraw/zinc/22/37/03/155223703.db2.gz NIOGIALVAQJXOW-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000369904557 155223704 /nfs/dbraw/zinc/22/37/04/155223704.db2.gz NIOGIALVAQJXOW-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000369904557 155223705 /nfs/dbraw/zinc/22/37/05/155223705.db2.gz NIOGIALVAQJXOW-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP CCOc1c(OC)cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000352696125 149119670 /nfs/dbraw/zinc/11/96/70/149119670.db2.gz ZQAKFXAOWTZGFR-MRXNPFEDSA-N 2 2 349.475 1.582 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000352744223 149145686 /nfs/dbraw/zinc/14/56/86/149145686.db2.gz MKGZVRDTYYGIMO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000352744223 149145688 /nfs/dbraw/zinc/14/56/88/149145688.db2.gz MKGZVRDTYYGIMO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352744223 149145690 /nfs/dbraw/zinc/14/56/90/149145690.db2.gz MKGZVRDTYYGIMO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352744223 149145692 /nfs/dbraw/zinc/14/56/92/149145692.db2.gz MKGZVRDTYYGIMO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000353263370 149344476 /nfs/dbraw/zinc/34/44/76/149344476.db2.gz UGCABNGXDJGJRZ-QGZVFWFLSA-N 2 2 347.503 1.800 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000353263370 149344479 /nfs/dbraw/zinc/34/44/79/149344479.db2.gz UGCABNGXDJGJRZ-QGZVFWFLSA-N 2 2 347.503 1.800 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000416976459 304359509 /nfs/dbraw/zinc/35/95/09/304359509.db2.gz QXRLTFGNRIEFHK-OAHLLOKOSA-N 2 2 333.480 1.973 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354988670 150066916 /nfs/dbraw/zinc/06/69/16/150066916.db2.gz ZRFWNDLIZJLXEV-CVEARBPZSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354988670 150066917 /nfs/dbraw/zinc/06/69/17/150066917.db2.gz ZRFWNDLIZJLXEV-CVEARBPZSA-N 2 2 346.475 1.476 20 0 EDADLP CC[C@@H](COC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355031351 150083768 /nfs/dbraw/zinc/08/37/68/150083768.db2.gz KDXWREJBYAQOGG-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H](COC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355031351 150083771 /nfs/dbraw/zinc/08/37/71/150083771.db2.gz KDXWREJBYAQOGG-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2CCCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355115017 150122888 /nfs/dbraw/zinc/12/28/88/150122888.db2.gz VHLPSGDDVHPSPG-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2CCCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355115017 150122891 /nfs/dbraw/zinc/12/28/91/150122891.db2.gz VHLPSGDDVHPSPG-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[C@@H]1C ZINC000355585897 150325489 /nfs/dbraw/zinc/32/54/89/150325489.db2.gz ICQJZOJKXLHBCD-HOTGVXAUSA-N 2 2 346.475 1.469 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[C@@H]1C ZINC000355585897 150325492 /nfs/dbraw/zinc/32/54/92/150325492.db2.gz ICQJZOJKXLHBCD-HOTGVXAUSA-N 2 2 346.475 1.469 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000355705069 150367368 /nfs/dbraw/zinc/36/73/68/150367368.db2.gz SLPARGADTHLHQQ-UHFFFAOYSA-N 2 2 339.399 1.911 20 0 EDADLP C[C@@H]1CN(C(=O)COCc2cccnc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355709643 150369418 /nfs/dbraw/zinc/36/94/18/150369418.db2.gz NKZSHOXOROMPDT-MRXNPFEDSA-N 2 2 346.475 1.225 20 0 EDADLP C[C@@H]1CN(C(=O)COCc2cccnc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355709643 150369420 /nfs/dbraw/zinc/36/94/20/150369420.db2.gz NKZSHOXOROMPDT-MRXNPFEDSA-N 2 2 346.475 1.225 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000356345151 150604156 /nfs/dbraw/zinc/60/41/56/150604156.db2.gz ORVUKFAKUQWRMG-AEFFLSMTSA-N 2 2 337.508 1.701 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000356345151 150604160 /nfs/dbraw/zinc/60/41/60/150604160.db2.gz ORVUKFAKUQWRMG-AEFFLSMTSA-N 2 2 337.508 1.701 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000357633770 151094020 /nfs/dbraw/zinc/09/40/20/151094020.db2.gz FMIGHFSRAVKPQX-HNNXBMFYSA-N 2 2 333.476 1.665 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000357633770 151094022 /nfs/dbraw/zinc/09/40/22/151094022.db2.gz FMIGHFSRAVKPQX-HNNXBMFYSA-N 2 2 333.476 1.665 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357643518 151098119 /nfs/dbraw/zinc/09/81/19/151098119.db2.gz FBYRANYJHKWSHB-HNNXBMFYSA-N 2 2 349.475 1.261 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357643518 151098121 /nfs/dbraw/zinc/09/81/21/151098121.db2.gz FBYRANYJHKWSHB-HNNXBMFYSA-N 2 2 349.475 1.261 20 0 EDADLP [NH3+]C[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCO1 ZINC000357947594 151206120 /nfs/dbraw/zinc/20/61/20/151206120.db2.gz QZNDCVJZOMXYCK-GFCCVEGCSA-N 2 2 325.210 1.256 20 0 EDADLP CCn1nccc1N1CCC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C1=O ZINC000358057958 151250998 /nfs/dbraw/zinc/25/09/98/151250998.db2.gz PTUIZOPDGHLVLE-MRXNPFEDSA-N 2 2 349.479 1.099 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000358132577 151283150 /nfs/dbraw/zinc/28/31/50/151283150.db2.gz DITKYFMUZDTJKE-ZDUSSCGKSA-N 2 2 342.237 1.437 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000358132577 151283151 /nfs/dbraw/zinc/28/31/51/151283151.db2.gz DITKYFMUZDTJKE-ZDUSSCGKSA-N 2 2 342.237 1.437 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000358163239 151292245 /nfs/dbraw/zinc/29/22/45/151292245.db2.gz IVCMGKNKZJOISA-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000358163239 151292246 /nfs/dbraw/zinc/29/22/46/151292246.db2.gz IVCMGKNKZJOISA-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358271304 151322371 /nfs/dbraw/zinc/32/23/71/151322371.db2.gz YDQIWQRFIOOXDT-HBUWYVDXSA-N 2 2 326.444 1.857 20 0 EDADLP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358271304 151322372 /nfs/dbraw/zinc/32/23/72/151322372.db2.gz YDQIWQRFIOOXDT-HBUWYVDXSA-N 2 2 326.444 1.857 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000358388312 151358300 /nfs/dbraw/zinc/35/83/00/151358300.db2.gz CLABRNGJKOSQQC-JKSUJKDBSA-N 2 2 346.537 1.538 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000358388312 151358303 /nfs/dbraw/zinc/35/83/03/151358303.db2.gz CLABRNGJKOSQQC-JKSUJKDBSA-N 2 2 346.537 1.538 20 0 EDADLP O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000360534249 152084226 /nfs/dbraw/zinc/08/42/26/152084226.db2.gz FIUGWURZCIZFDD-GOSISDBHSA-N 2 2 348.516 1.078 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360546111 152089107 /nfs/dbraw/zinc/08/91/07/152089107.db2.gz MYZATEKOFCXICF-ACJLOTCBSA-N 2 2 330.432 1.059 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360546111 152089110 /nfs/dbraw/zinc/08/91/10/152089110.db2.gz MYZATEKOFCXICF-ACJLOTCBSA-N 2 2 330.432 1.059 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000360571726 152102597 /nfs/dbraw/zinc/10/25/97/152102597.db2.gz VPBKDJRGWVZGQR-FXAWDEMLSA-N 2 2 342.487 1.315 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000360571726 152102599 /nfs/dbraw/zinc/10/25/99/152102599.db2.gz VPBKDJRGWVZGQR-FXAWDEMLSA-N 2 2 342.487 1.315 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360611133 152121319 /nfs/dbraw/zinc/12/13/19/152121319.db2.gz FUAUPFBCGMVUMP-GDBMZVCRSA-N 2 2 348.422 1.529 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360611133 152121321 /nfs/dbraw/zinc/12/13/21/152121321.db2.gz FUAUPFBCGMVUMP-GDBMZVCRSA-N 2 2 348.422 1.529 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000360788327 152205386 /nfs/dbraw/zinc/20/53/86/152205386.db2.gz QHKMTJXOCZZTFW-OAHLLOKOSA-N 2 2 336.484 1.357 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000360788327 152205387 /nfs/dbraw/zinc/20/53/87/152205387.db2.gz QHKMTJXOCZZTFW-OAHLLOKOSA-N 2 2 336.484 1.357 20 0 EDADLP CC[C@H](C)[C@@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000360831888 152223587 /nfs/dbraw/zinc/22/35/87/152223587.db2.gz UBBKMJREJPDPKV-JKSUJKDBSA-N 2 2 325.497 1.460 20 0 EDADLP CC(=O)Nc1ccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000360893193 152244169 /nfs/dbraw/zinc/24/41/69/152244169.db2.gz APIMQYSNADPEKD-UHFFFAOYSA-N 2 2 346.475 1.330 20 0 EDADLP Cc1ccc(C2CC[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)CC2)c[nH+]1 ZINC000361000229 152274682 /nfs/dbraw/zinc/27/46/82/152274682.db2.gz VODJOHRNLFWKSS-AWEZNQCLSA-N 2 2 332.448 1.162 20 0 EDADLP O=c1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc2cc[nH]n21 ZINC000361045619 152288443 /nfs/dbraw/zinc/28/84/43/152288443.db2.gz LQGYGYUXZGDTDF-UHFFFAOYSA-N 2 2 340.431 1.912 20 0 EDADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361118366 152310495 /nfs/dbraw/zinc/31/04/95/152310495.db2.gz UUWIYZHWYLVLRR-GOEBONIOSA-N 2 2 340.464 1.725 20 0 EDADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)CN1CC[NH+](C)CC1 ZINC000361129562 152315733 /nfs/dbraw/zinc/31/57/33/152315733.db2.gz WFJYDXFCNZPPAU-GOSISDBHSA-N 3 2 345.535 1.519 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@H]12 ZINC000574060096 306642322 /nfs/dbraw/zinc/64/23/22/306642322.db2.gz SSNMANBRZHNGLK-BHYGNILZSA-N 2 2 325.416 1.751 20 0 EDADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC000361183910 152328511 /nfs/dbraw/zinc/32/85/11/152328511.db2.gz GLUUOBGQLPFEJR-KRWDZBQOSA-N 3 2 331.508 1.272 20 0 EDADLP O[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000361285410 152353642 /nfs/dbraw/zinc/35/36/42/152353642.db2.gz DOJYDRUNCQAEFZ-OAHLLOKOSA-N 2 2 337.430 1.840 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cc[nH]n1)[C@H]1CC12CC[NH2+]CC2 ZINC000370158840 155354226 /nfs/dbraw/zinc/35/42/26/155354226.db2.gz FGYFRKYYAJCPHG-AWEZNQCLSA-N 2 2 328.420 1.411 20 0 EDADLP Cc1c(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000363813163 153063337 /nfs/dbraw/zinc/06/33/37/153063337.db2.gz FOCQVHDZBUHKCJ-KRWDZBQOSA-N 2 2 348.495 1.038 20 0 EDADLP Cc1c(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000363813163 153063339 /nfs/dbraw/zinc/06/33/39/153063339.db2.gz FOCQVHDZBUHKCJ-KRWDZBQOSA-N 2 2 348.495 1.038 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364531647 153260424 /nfs/dbraw/zinc/26/04/24/153260424.db2.gz QEUGPIPGNOGKSC-CQSZACIVSA-N 2 2 336.480 1.723 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364531647 153260428 /nfs/dbraw/zinc/26/04/28/153260428.db2.gz QEUGPIPGNOGKSC-CQSZACIVSA-N 2 2 336.480 1.723 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364531647 153260430 /nfs/dbraw/zinc/26/04/30/153260430.db2.gz QEUGPIPGNOGKSC-CQSZACIVSA-N 2 2 336.480 1.723 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364531647 153260434 /nfs/dbraw/zinc/26/04/34/153260434.db2.gz QEUGPIPGNOGKSC-CQSZACIVSA-N 2 2 336.480 1.723 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000364540478 153264446 /nfs/dbraw/zinc/26/44/46/153264446.db2.gz VPKWJZLUHFWWAH-GJZGRUSLSA-N 2 2 345.447 1.983 20 0 EDADLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000364551344 153268241 /nfs/dbraw/zinc/26/82/41/153268241.db2.gz MOKMWKPMYDKMDM-CVEARBPZSA-N 2 2 332.448 1.063 20 0 EDADLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000364551344 153268245 /nfs/dbraw/zinc/26/82/45/153268245.db2.gz MOKMWKPMYDKMDM-CVEARBPZSA-N 2 2 332.448 1.063 20 0 EDADLP O=CN1CCC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000364934872 153375694 /nfs/dbraw/zinc/37/56/94/153375694.db2.gz OZTHCKWORSZVDV-UHFFFAOYSA-N 2 2 325.522 1.949 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417228797 304385816 /nfs/dbraw/zinc/38/58/16/304385816.db2.gz WNWKHUDHXNJYCO-VIFPVBQESA-N 2 2 340.225 1.504 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000367427824 154116525 /nfs/dbraw/zinc/11/65/25/154116525.db2.gz CYVAEWQGPMAGIL-INIZCTEOSA-N 3 2 333.480 1.417 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000367427824 154116529 /nfs/dbraw/zinc/11/65/29/154116529.db2.gz CYVAEWQGPMAGIL-INIZCTEOSA-N 3 2 333.480 1.417 20 0 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349.475 1.977 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC000371838952 156132624 /nfs/dbraw/zinc/13/26/24/156132624.db2.gz OMMAKLZIMIPGBL-HOCLYGCPSA-N 2 2 333.480 1.886 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC000371838952 156132630 /nfs/dbraw/zinc/13/26/30/156132630.db2.gz OMMAKLZIMIPGBL-HOCLYGCPSA-N 2 2 333.480 1.886 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)cc[nH+]1 ZINC000371930145 156170539 /nfs/dbraw/zinc/17/05/39/156170539.db2.gz HAJCAKMSOYNJKV-HZPDHXFCSA-N 2 2 329.448 1.308 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cc[nH+]1 ZINC000371930145 156170542 /nfs/dbraw/zinc/17/05/42/156170542.db2.gz HAJCAKMSOYNJKV-HZPDHXFCSA-N 2 2 329.448 1.308 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000371991418 156199715 /nfs/dbraw/zinc/19/97/15/156199715.db2.gz JPDMQSIXEGTNNQ-HOTGVXAUSA-N 2 2 346.475 1.848 20 0 EDADLP 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157338802 /nfs/dbraw/zinc/33/88/02/157338802.db2.gz IESSKHOKWGQJBQ-MRXNPFEDSA-N 2 2 334.512 1.534 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374724993 157378092 /nfs/dbraw/zinc/37/80/92/157378092.db2.gz CGAWFWWCJOBMJN-OAHLLOKOSA-N 2 2 344.459 1.252 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374724993 157378095 /nfs/dbraw/zinc/37/80/95/157378095.db2.gz CGAWFWWCJOBMJN-OAHLLOKOSA-N 2 2 344.459 1.252 20 0 EDADLP C[C@H](CN1CCOCC1)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374754468 157388097 /nfs/dbraw/zinc/38/80/97/157388097.db2.gz YLAMBQVQEKWVSM-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H](CN1CCOCC1)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374754468 157388100 /nfs/dbraw/zinc/38/81/00/157388100.db2.gz YLAMBQVQEKWVSM-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C3(n4cccn4)CC[NH2+]CC3)ccc2n1C ZINC000575871614 306673043 /nfs/dbraw/zinc/67/30/43/306673043.db2.gz JLOGKHCRNICGNM-UHFFFAOYSA-N 2 2 338.415 1.796 20 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ZINC000378485374 158188254 /nfs/dbraw/zinc/18/82/54/158188254.db2.gz ZZPXFXJXZUHRJT-CABCVRRESA-N 2 2 333.432 1.911 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000378485374 158188256 /nfs/dbraw/zinc/18/82/56/158188256.db2.gz ZZPXFXJXZUHRJT-CABCVRRESA-N 2 2 333.432 1.911 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)n1cc[nH+]c1 ZINC000575992720 306674853 /nfs/dbraw/zinc/67/48/53/306674853.db2.gz HNFBOPSFXXEYDX-CQSZACIVSA-N 2 2 328.420 1.620 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CCO1 ZINC000408407682 158354547 /nfs/dbraw/zinc/35/45/47/158354547.db2.gz SBYDODLXHNYJDI-LUYZLQTOSA-N 2 2 341.477 1.586 20 0 EDADLP CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000352189103 162040491 /nfs/dbraw/zinc/04/04/91/162040491.db2.gz CBTBJYLQBIUMTN-OTWHNJEPSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000352189103 162040498 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0 EDADLP CCOC(=O)C[NH+]1CCCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000352291585 162098632 /nfs/dbraw/zinc/09/86/32/162098632.db2.gz YMCYJMIUDLHCKW-MRXNPFEDSA-N 2 2 339.480 1.348 20 0 EDADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352388327 162156065 /nfs/dbraw/zinc/15/60/65/162156065.db2.gz OATBUZUXCMUILW-OAHLLOKOSA-N 2 2 333.432 1.314 20 0 EDADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000352388203 162156489 /nfs/dbraw/zinc/15/64/89/162156489.db2.gz LNSXQSHKXAOXFG-OAHLLOKOSA-N 2 2 333.432 1.200 20 0 EDADLP COCc1ccsc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000352440092 162183069 /nfs/dbraw/zinc/18/30/69/162183069.db2.gz ZBRISSGSYWNCOH-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP COCc1ccsc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000352440092 162183071 /nfs/dbraw/zinc/18/30/71/162183071.db2.gz ZBRISSGSYWNCOH-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP CCc1ccc(CN(C)C(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352488844 162208522 /nfs/dbraw/zinc/20/85/22/162208522.db2.gz VJOWYAKEJUSNMW-LJQANCHMSA-N 2 2 344.503 1.187 20 0 EDADLP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352504717 162217757 /nfs/dbraw/zinc/21/77/57/162217757.db2.gz UDNNQEJZPUXJNS-CRAIPNDOSA-N 2 2 330.476 1.556 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352506871 162219309 /nfs/dbraw/zinc/21/93/09/162219309.db2.gz AUAGNXSFMAVEIT-IBGZPJMESA-N 3 2 344.503 1.534 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352506871 162219312 /nfs/dbraw/zinc/21/93/12/162219312.db2.gz AUAGNXSFMAVEIT-IBGZPJMESA-N 3 2 344.503 1.534 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000364458759 162329778 /nfs/dbraw/zinc/32/97/78/162329778.db2.gz OMXIRWMODIHOIK-DOTOQJQBSA-N 2 2 347.459 1.472 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000056950409 287231715 /nfs/dbraw/zinc/23/17/15/287231715.db2.gz UFMSIFFUGYVGLL-INIZCTEOSA-N 2 2 338.427 1.060 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000074389577 287270514 /nfs/dbraw/zinc/27/05/14/287270514.db2.gz UYRBPCWXJJTUGT-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000074389577 287270516 /nfs/dbraw/zinc/27/05/16/287270516.db2.gz UYRBPCWXJJTUGT-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCOC(C)(C)C2)CC1 ZINC000161716794 225680622 /nfs/dbraw/zinc/68/06/22/225680622.db2.gz HHUFBIBQXMOCET-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@H]1CSC[NH2+]1 ZINC000168596404 226219660 /nfs/dbraw/zinc/21/96/60/226219660.db2.gz UNRNENOQGFHOJN-ABAIWWIYSA-N 2 2 341.427 1.708 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@H]1CSC[NH2+]1 ZINC000168596404 226219663 /nfs/dbraw/zinc/21/96/63/226219663.db2.gz UNRNENOQGFHOJN-ABAIWWIYSA-N 2 2 341.427 1.708 20 0 EDADLP CC[C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[NH+](CC)CC ZINC000345852492 287499206 /nfs/dbraw/zinc/49/92/06/287499206.db2.gz UTQLRHWJSKJQRS-MRXNPFEDSA-N 2 2 334.464 1.655 20 0 EDADLP COCC[NH+]1CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000192769253 272986116 /nfs/dbraw/zinc/98/61/16/272986116.db2.gz QRIJEHAHBQYGJG-QPJJXVBHSA-N 2 2 340.427 1.676 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000237661876 273011734 /nfs/dbraw/zinc/01/17/34/273011734.db2.gz MXGDQAQSFKPLMG-DZKIICNBSA-N 2 2 332.448 1.454 20 0 EDADLP CN1c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cc2CCC1=O ZINC000274764239 268200994 /nfs/dbraw/zinc/20/09/94/268200994.db2.gz HLEHAHWHUAAWMV-KRWDZBQOSA-N 2 2 344.459 1.025 20 0 EDADLP CN1c2ccc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cc2CCC1=O ZINC000274764239 268200996 /nfs/dbraw/zinc/20/09/96/268200996.db2.gz HLEHAHWHUAAWMV-KRWDZBQOSA-N 2 2 344.459 1.025 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275308823 268319760 /nfs/dbraw/zinc/31/97/60/268319760.db2.gz NPACELBYKAYZBK-DGCLKSJQSA-N 2 2 333.436 1.161 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275308823 268319762 /nfs/dbraw/zinc/31/97/62/268319762.db2.gz NPACELBYKAYZBK-DGCLKSJQSA-N 2 2 333.436 1.161 20 0 EDADLP CS[C@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@H]1[NH+]1CCCC1 ZINC000275400475 268337355 /nfs/dbraw/zinc/33/73/55/268337355.db2.gz DWAFADZVMZAHIN-OLZOCXBDSA-N 2 2 345.476 1.261 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275501961 268351979 /nfs/dbraw/zinc/35/19/79/268351979.db2.gz AFQZRIJUQBKALC-HZPDHXFCSA-N 2 2 348.495 1.423 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275501961 268351980 /nfs/dbraw/zinc/35/19/80/268351980.db2.gz AFQZRIJUQBKALC-HZPDHXFCSA-N 2 2 348.495 1.423 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000275499358 268352116 /nfs/dbraw/zinc/35/21/16/268352116.db2.gz AFECPQNUFRVNTR-IBGZPJMESA-N 2 2 345.487 1.931 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000275499358 268352118 /nfs/dbraw/zinc/35/21/18/268352118.db2.gz AFECPQNUFRVNTR-IBGZPJMESA-N 2 2 345.487 1.931 20 0 EDADLP Cn1cccc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000275560989 268361065 /nfs/dbraw/zinc/36/10/65/268361065.db2.gz FSNSTSPLLQIQRS-HNNXBMFYSA-N 2 2 327.432 1.543 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)ccc2[nH+]1 ZINC000275576665 268362956 /nfs/dbraw/zinc/36/29/56/268362956.db2.gz FCKYONBXBLKSSG-CQSZACIVSA-N 2 2 345.447 1.952 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)ccc2[nH+]1 ZINC000275576665 268362958 /nfs/dbraw/zinc/36/29/58/268362958.db2.gz FCKYONBXBLKSSG-CQSZACIVSA-N 2 2 345.447 1.952 20 0 EDADLP Cc1nc(N2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)cc[nH+]1 ZINC000274186451 273075795 /nfs/dbraw/zinc/07/57/95/273075795.db2.gz KGZBVWHDGTYIIY-UHFFFAOYSA-N 2 2 345.472 1.871 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275615700 273113705 /nfs/dbraw/zinc/11/37/05/273113705.db2.gz MAPPKOMYOPVXQE-AWEZNQCLSA-N 2 2 343.431 1.131 20 0 EDADLP COCCOCCOCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000276138309 273151761 /nfs/dbraw/zinc/15/17/61/273151761.db2.gz DOEGAOMWGHNBTE-UHFFFAOYSA-N 2 2 334.420 1.379 20 0 EDADLP COCCOCCOCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000276138309 273151762 /nfs/dbraw/zinc/15/17/62/273151762.db2.gz DOEGAOMWGHNBTE-UHFFFAOYSA-N 2 2 334.420 1.379 20 0 EDADLP CS[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1[NH+](C)C ZINC000277765647 273225072 /nfs/dbraw/zinc/22/50/72/273225072.db2.gz KVRJVKIWAJWEDS-QWHCGFSZSA-N 2 2 339.534 1.512 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000278649280 273266737 /nfs/dbraw/zinc/26/67/37/273266737.db2.gz PQWOTQZPQVJENN-UHFFFAOYSA-N 2 2 331.338 1.912 20 0 EDADLP C[S@](=O)C1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000281905098 273550381 /nfs/dbraw/zinc/55/03/81/273550381.db2.gz ZJZILIDXBFXSQN-QHCPKHFHSA-N 2 2 328.401 1.534 20 0 EDADLP COc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1Cl ZINC000284259200 274136408 /nfs/dbraw/zinc/13/64/08/274136408.db2.gz IWFFPKQMRZKBTK-BXUZGUMPSA-N 2 2 340.855 1.734 20 0 EDADLP COc1ncc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1Cl ZINC000284259200 274136410 /nfs/dbraw/zinc/13/64/10/274136410.db2.gz IWFFPKQMRZKBTK-BXUZGUMPSA-N 2 2 340.855 1.734 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@H]21 ZINC000284461475 274210513 /nfs/dbraw/zinc/21/05/13/274210513.db2.gz LJCMEGSLVUCIAR-MSOLQXFVSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@H]21 ZINC000284461475 274210514 /nfs/dbraw/zinc/21/05/14/274210514.db2.gz LJCMEGSLVUCIAR-MSOLQXFVSA-N 2 2 340.427 1.477 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)ccc2[nH+]1 ZINC000284487190 274219682 /nfs/dbraw/zinc/21/96/82/274219682.db2.gz CIQGMBJDIMQGEE-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)ccc2[nH+]1 ZINC000284487190 274219685 /nfs/dbraw/zinc/21/96/85/274219685.db2.gz CIQGMBJDIMQGEE-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[nH]1 ZINC000284490607 274221179 /nfs/dbraw/zinc/22/11/79/274221179.db2.gz BMVPMXHJBMWDOB-SUMWQHHRSA-N 2 2 345.447 1.708 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[nH]1 ZINC000284490607 274221180 /nfs/dbraw/zinc/22/11/80/274221180.db2.gz BMVPMXHJBMWDOB-SUMWQHHRSA-N 2 2 345.447 1.708 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000284724542 274308766 /nfs/dbraw/zinc/30/87/66/274308766.db2.gz BXMGGAWODYEETG-CQSZACIVSA-N 2 2 343.431 1.617 20 0 EDADLP NC(=O)C1([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC000285767414 274643131 /nfs/dbraw/zinc/64/31/31/274643131.db2.gz WMWQKGJZYZVVIK-UHFFFAOYSA-N 2 2 344.503 1.977 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@H](C)C1 ZINC000115780369 276314853 /nfs/dbraw/zinc/31/48/53/276314853.db2.gz VYGUCKUPMYHWGF-HZPDHXFCSA-N 2 2 337.468 1.319 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@H](C)C1 ZINC000115780369 276314854 /nfs/dbraw/zinc/31/48/54/276314854.db2.gz VYGUCKUPMYHWGF-HZPDHXFCSA-N 2 2 337.468 1.319 20 0 EDADLP CO[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373511064 277286518 /nfs/dbraw/zinc/28/65/18/277286518.db2.gz WFNYWAAFYWHTHO-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP CO[C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373511064 277286519 /nfs/dbraw/zinc/28/65/19/277286519.db2.gz WFNYWAAFYWHTHO-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000369890460 277894001 /nfs/dbraw/zinc/89/40/01/277894001.db2.gz YALMVFGUIAXHRC-HOTGVXAUSA-N 2 2 349.479 1.102 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000346216936 278196014 /nfs/dbraw/zinc/19/60/14/278196014.db2.gz INVOZZMSZPNEGW-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000346216936 278196015 /nfs/dbraw/zinc/19/60/15/278196015.db2.gz INVOZZMSZPNEGW-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1)[NH+]1CCOCC1 ZINC000374939859 278262910 /nfs/dbraw/zinc/26/29/10/278262910.db2.gz AZNVRBZMDCGBPU-KRWDZBQOSA-N 2 2 337.508 1.964 20 0 EDADLP Cc1nn(C(C)C)cc1C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000369715632 279186924 /nfs/dbraw/zinc/18/69/24/279186924.db2.gz VKVXUVADEQASLX-LPHOPBHVSA-N 2 2 349.523 1.609 20 0 EDADLP Cc1nn(C(C)C)cc1C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000369715632 279186926 /nfs/dbraw/zinc/18/69/26/279186926.db2.gz VKVXUVADEQASLX-LPHOPBHVSA-N 2 2 349.523 1.609 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000369715632 279186930 /nfs/dbraw/zinc/18/69/30/279186930.db2.gz VKVXUVADEQASLX-LPHOPBHVSA-N 2 2 349.523 1.609 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000369715632 279186931 /nfs/dbraw/zinc/18/69/31/279186931.db2.gz VKVXUVADEQASLX-LPHOPBHVSA-N 2 2 349.523 1.609 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000194230423 288163486 /nfs/dbraw/zinc/16/34/86/288163486.db2.gz HOJPPVUERCIULP-JFIYKMOQSA-N 2 2 333.476 1.905 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@](F)(CO)C1)c1ccccc1 ZINC000287171637 288172436 /nfs/dbraw/zinc/17/24/36/288172436.db2.gz ZQJBKXAGJRTIMF-WMZOPIPTSA-N 2 2 337.439 1.202 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@](F)(CO)C1)c1ccccc1 ZINC000287171637 288172439 /nfs/dbraw/zinc/17/24/39/288172439.db2.gz ZQJBKXAGJRTIMF-WMZOPIPTSA-N 2 2 337.439 1.202 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000342279438 280166674 /nfs/dbraw/zinc/16/66/74/280166674.db2.gz FZWRSRJQVHLSPL-KZNAEPCWSA-N 2 2 337.508 1.819 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000287468643 288244642 /nfs/dbraw/zinc/24/46/42/288244642.db2.gz JJNLECGXAGQUJD-HNNXBMFYSA-N 2 2 345.447 1.469 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000287468643 288244643 /nfs/dbraw/zinc/24/46/43/288244643.db2.gz JJNLECGXAGQUJD-HNNXBMFYSA-N 2 2 345.447 1.469 20 0 EDADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c[nH+]1 ZINC000348782195 280805758 /nfs/dbraw/zinc/80/57/58/280805758.db2.gz FMTPVSVBAWLBSF-INIZCTEOSA-N 2 2 325.478 1.726 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)[C@H](C)C1 ZINC000287696585 288298480 /nfs/dbraw/zinc/29/84/80/288298480.db2.gz CVPNRGLCZZCQAJ-CYBMUJFWSA-N 2 2 329.404 1.134 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)[C@H](C)C1 ZINC000287696585 288298482 /nfs/dbraw/zinc/29/84/82/288298482.db2.gz CVPNRGLCZZCQAJ-CYBMUJFWSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)cn21 ZINC000248696120 281317563 /nfs/dbraw/zinc/31/75/63/281317563.db2.gz YUMNFYUBSQLMPR-CABCVRRESA-N 2 2 345.447 1.239 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)cn21 ZINC000248696120 281317566 /nfs/dbraw/zinc/31/75/66/281317566.db2.gz YUMNFYUBSQLMPR-CABCVRRESA-N 2 2 345.447 1.239 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CCc3[nH]cc[nH+]3)nc2)C1 ZINC000287834914 288334669 /nfs/dbraw/zinc/33/46/69/288334669.db2.gz CKLAEGFGIAXZDW-AWEZNQCLSA-N 2 2 328.420 1.516 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)[nH]1 ZINC000377688905 282004399 /nfs/dbraw/zinc/00/43/99/282004399.db2.gz BHJDGOWMXUUTIE-KRWDZBQOSA-N 2 2 347.507 1.318 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)[nH]1 ZINC000377688905 282004401 /nfs/dbraw/zinc/00/44/01/282004401.db2.gz BHJDGOWMXUUTIE-KRWDZBQOSA-N 2 2 347.507 1.318 20 0 EDADLP O=C(C[NH2+][C@H](CO)C1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000289513163 288718669 /nfs/dbraw/zinc/71/86/69/288718669.db2.gz LXNXSHLHQYLTHG-LJQANCHMSA-N 2 2 345.487 1.472 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH2+]Cc3c[nH+]cn3C)C2=O)c(OC)c1 ZINC000290113798 288841991 /nfs/dbraw/zinc/84/19/91/288841991.db2.gz LJYIGXWQTVMQHG-INIZCTEOSA-N 2 2 344.415 1.328 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000290210156 288858479 /nfs/dbraw/zinc/85/84/79/288858479.db2.gz PVSHVAYBTGOTBF-RDJZCZTQSA-N 2 2 332.448 1.169 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352558135 289020998 /nfs/dbraw/zinc/02/09/98/289020998.db2.gz VHLZIYWOUIIOSE-UYSNPLJNSA-N 2 2 325.497 1.865 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352558135 289021001 /nfs/dbraw/zinc/02/10/01/289021001.db2.gz VHLZIYWOUIIOSE-UYSNPLJNSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000345134708 289027693 /nfs/dbraw/zinc/02/76/93/289027693.db2.gz FWOVVJYWWRQRMD-KGLIPLIRSA-N 2 2 329.510 1.039 20 0 EDADLP C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000345134708 289027695 /nfs/dbraw/zinc/02/76/95/289027695.db2.gz FWOVVJYWWRQRMD-KGLIPLIRSA-N 2 2 329.510 1.039 20 0 EDADLP C[NH+](C)C1(CNC(=O)C[N@@H+]2CCc3sccc3C2)CCOCC1 ZINC000114416163 289044757 /nfs/dbraw/zinc/04/47/57/289044757.db2.gz ZKZGLMUJTIENCF-UHFFFAOYSA-N 2 2 337.489 1.333 20 0 EDADLP C[NH+](C)C1(CNC(=O)C[N@H+]2CCc3sccc3C2)CCOCC1 ZINC000114416163 289044758 /nfs/dbraw/zinc/04/47/58/289044758.db2.gz ZKZGLMUJTIENCF-UHFFFAOYSA-N 2 2 337.489 1.333 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@@H]([N@H+](C)CCO)[C@H]3C)[nH+]c2c1 ZINC000291995789 289234811 /nfs/dbraw/zinc/23/48/11/289234811.db2.gz QXRNTRHTENLVNV-GDBMZVCRSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@@H]([N@@H+](C)CCO)[C@H]3C)[nH+]c2c1 ZINC000291995789 289234813 /nfs/dbraw/zinc/23/48/13/289234813.db2.gz QXRNTRHTENLVNV-GDBMZVCRSA-N 2 2 345.447 1.239 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000360559989 295134196 /nfs/dbraw/zinc/13/41/96/295134196.db2.gz DORKJLIRCAINSV-LIRRHRJNSA-N 2 2 347.459 1.394 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000360559989 295134197 /nfs/dbraw/zinc/13/41/97/295134197.db2.gz DORKJLIRCAINSV-LIRRHRJNSA-N 2 2 347.459 1.394 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000336864857 298929602 /nfs/dbraw/zinc/92/96/02/298929602.db2.gz SFYCIANDYSAQNV-KGLIPLIRSA-N 2 2 336.461 1.873 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)n1C ZINC000419693110 304663323 /nfs/dbraw/zinc/66/33/23/304663323.db2.gz IGERDKJPHIJKSL-UHFFFAOYSA-N 2 2 333.402 1.850 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(=O)c3cccn3C)CC2)CC1 ZINC000422025896 447314556 /nfs/dbraw/zinc/31/45/56/447314556.db2.gz SQVXBKMEPAAZEA-UHFFFAOYSA-N 2 2 346.475 1.226 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(=O)c3cccn3C)CC2)CC1 ZINC000422025896 447314560 /nfs/dbraw/zinc/31/45/60/447314560.db2.gz SQVXBKMEPAAZEA-UHFFFAOYSA-N 2 2 346.475 1.226 20 0 EDADLP CC(C)n1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1 ZINC000377721105 447316091 /nfs/dbraw/zinc/31/60/91/447316091.db2.gz SOCPSEOKSNTXKP-JWTNVVGKSA-N 2 2 332.496 1.602 20 0 EDADLP CC(C)n1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1 ZINC000377721105 447316096 /nfs/dbraw/zinc/31/60/96/447316096.db2.gz SOCPSEOKSNTXKP-JWTNVVGKSA-N 2 2 332.496 1.602 20 0 EDADLP C[C@@H](O)C[C@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000448393421 447316657 /nfs/dbraw/zinc/31/66/57/447316657.db2.gz YUDMCOWRBMNVFR-NVXWUHKLSA-N 2 2 340.512 1.347 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC000293763878 303015050 /nfs/dbraw/zinc/01/50/50/303015050.db2.gz ACQQMIGATBPNFQ-JKSUJKDBSA-N 2 2 341.415 1.203 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC000293763878 303015052 /nfs/dbraw/zinc/01/50/52/303015052.db2.gz ACQQMIGATBPNFQ-JKSUJKDBSA-N 2 2 341.415 1.203 20 0 EDADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295152065 303180770 /nfs/dbraw/zinc/18/07/70/303180770.db2.gz RGFKGZZHIJRIPJ-DLBZAZTESA-N 2 2 333.476 1.864 20 0 EDADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295152065 303180771 /nfs/dbraw/zinc/18/07/71/303180771.db2.gz RGFKGZZHIJRIPJ-DLBZAZTESA-N 2 2 333.476 1.864 20 0 EDADLP C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000296203012 303302467 /nfs/dbraw/zinc/30/24/67/303302467.db2.gz MFKSSSPQKDOTOP-WMZOPIPTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000296203012 303302468 /nfs/dbraw/zinc/30/24/68/303302468.db2.gz MFKSSSPQKDOTOP-WMZOPIPTSA-N 2 2 331.460 1.176 20 0 EDADLP COC[C@]1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000296678510 303331288 /nfs/dbraw/zinc/33/12/88/303331288.db2.gz LDNVHVXFQAGUBW-HXUWFJFHSA-N 2 2 345.487 1.689 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000298445304 303523734 /nfs/dbraw/zinc/52/37/34/303523734.db2.gz XRTFJIMAZDNPRQ-LSDHHAIUSA-N 2 2 342.447 1.548 20 0 EDADLP CC[NH+]1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000298797338 303556612 /nfs/dbraw/zinc/55/66/12/303556612.db2.gz YMGVWRXWMNLUEH-UHFFFAOYSA-N 2 2 327.432 1.779 20 0 EDADLP CC(C)c1nc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000301950949 303704728 /nfs/dbraw/zinc/70/47/28/303704728.db2.gz ZRUIJDYXYXJEFY-KBPBESRZSA-N 2 2 336.484 1.972 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422636227 304875385 /nfs/dbraw/zinc/87/53/85/304875385.db2.gz MRJGAKOSOKWNMY-UHFFFAOYSA-N 2 2 331.460 1.742 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000422744706 304879633 /nfs/dbraw/zinc/87/96/33/304879633.db2.gz KSGOGFKTJUBLTJ-BZUAXINKSA-N 2 2 339.505 1.478 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422995808 304882498 /nfs/dbraw/zinc/88/24/98/304882498.db2.gz ZIGZIPCYYGKDJD-WCQYABFASA-N 2 2 333.354 1.836 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)[C@H]1CCCC[NH2+]1 ZINC000423079060 304884431 /nfs/dbraw/zinc/88/44/31/304884431.db2.gz PVNWNUHFHAEADZ-IAGOWNOFSA-N 2 2 340.489 1.463 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCN2CC[NH2+]CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423194759 304889171 /nfs/dbraw/zinc/88/91/71/304889171.db2.gz YRDKNLBGSADQEU-OALUTQOASA-N 3 2 332.492 1.373 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])c2cscn2)[NH+](C)C)c1 ZINC000423303315 304891966 /nfs/dbraw/zinc/89/19/66/304891966.db2.gz IZICMRWAMQPTQL-HUUCEWRRSA-N 2 2 334.445 1.571 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423381830 304894193 /nfs/dbraw/zinc/89/41/93/304894193.db2.gz ZSZSKGXFAPADGV-UONOGXRCSA-N 2 2 325.478 1.859 20 0 EDADLP COC[C@@]1(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CCC[NH2+]1 ZINC000423441768 304896405 /nfs/dbraw/zinc/89/64/05/304896405.db2.gz WDSPGNSFKYRBDW-LPHOPBHVSA-N 2 2 333.476 1.942 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccccc2CS(C)(=O)=O)n1C ZINC000425339549 304961572 /nfs/dbraw/zinc/96/15/72/304961572.db2.gz CQBXQICIPINCPC-UHFFFAOYSA-N 2 2 336.461 1.321 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033453 305004523 /nfs/dbraw/zinc/00/45/23/305004523.db2.gz AZTCCILBYDZLMU-BZPMIXESSA-N 2 2 334.395 1.546 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033453 305004524 /nfs/dbraw/zinc/00/45/24/305004524.db2.gz AZTCCILBYDZLMU-BZPMIXESSA-N 2 2 334.395 1.546 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428035167 305004664 /nfs/dbraw/zinc/00/46/64/305004664.db2.gz PCNBVOCRXVTXMX-JDFRZJQESA-N 2 2 330.432 1.656 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428035167 305004665 /nfs/dbraw/zinc/00/46/65/305004665.db2.gz PCNBVOCRXVTXMX-JDFRZJQESA-N 2 2 330.432 1.656 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000428269628 305009116 /nfs/dbraw/zinc/00/91/16/305009116.db2.gz KKDWALVBOAGKDR-UHFFFAOYSA-N 2 2 333.480 1.212 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCCCCO ZINC000428968091 305021134 /nfs/dbraw/zinc/02/11/34/305021134.db2.gz YVOHGRXULWPQBS-INIZCTEOSA-N 2 2 334.464 1.213 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCCCCO ZINC000428968091 305021135 /nfs/dbraw/zinc/02/11/35/305021135.db2.gz YVOHGRXULWPQBS-INIZCTEOSA-N 2 2 334.464 1.213 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1nc2c(s1)CCCC2 ZINC000429668639 305034426 /nfs/dbraw/zinc/03/44/26/305034426.db2.gz APYQCOTYIVEBRT-UHFFFAOYSA-N 2 2 336.505 1.618 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1nc2c(s1)CCCC2 ZINC000429668639 305034427 /nfs/dbraw/zinc/03/44/27/305034427.db2.gz APYQCOTYIVEBRT-UHFFFAOYSA-N 2 2 336.505 1.618 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@H]1CCCOC1 ZINC000429961992 305041479 /nfs/dbraw/zinc/04/14/79/305041479.db2.gz GTMNSPMFLLXBGJ-AEFFLSMTSA-N 2 2 342.443 1.344 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000430256115 305049011 /nfs/dbraw/zinc/04/90/11/305049011.db2.gz JXLCTZMZPBIABU-MRXNPFEDSA-N 2 2 333.480 1.961 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000430567431 305056172 /nfs/dbraw/zinc/05/61/72/305056172.db2.gz ASRBKNMGFXCNRI-LJQANCHMSA-N 2 2 347.503 1.814 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000430569990 305056332 /nfs/dbraw/zinc/05/63/32/305056332.db2.gz JSRIDCJIBFDLDF-HNNXBMFYSA-N 2 2 345.365 1.918 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430581801 305057089 /nfs/dbraw/zinc/05/70/89/305057089.db2.gz PFKIJFIUQXHYJR-KKUMJFAQSA-N 2 2 349.475 1.940 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430581801 305057090 /nfs/dbraw/zinc/05/70/90/305057090.db2.gz PFKIJFIUQXHYJR-KKUMJFAQSA-N 2 2 349.475 1.940 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430611229 305058815 /nfs/dbraw/zinc/05/88/15/305058815.db2.gz NRDRUSXDGWUQDX-CQSZACIVSA-N 2 2 339.867 1.766 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430611229 305058816 /nfs/dbraw/zinc/05/88/16/305058816.db2.gz NRDRUSXDGWUQDX-CQSZACIVSA-N 2 2 339.867 1.766 20 0 EDADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430624261 305059850 /nfs/dbraw/zinc/05/98/50/305059850.db2.gz OLTFCTYOZLXFKT-OAHLLOKOSA-N 2 2 330.432 1.436 20 0 EDADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430624261 305059851 /nfs/dbraw/zinc/05/98/51/305059851.db2.gz OLTFCTYOZLXFKT-OAHLLOKOSA-N 2 2 330.432 1.436 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430630077 305060297 /nfs/dbraw/zinc/06/02/97/305060297.db2.gz XNEJDLNZIXOOFZ-UHFFFAOYSA-N 2 2 337.439 1.737 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430630077 305060298 /nfs/dbraw/zinc/06/02/98/305060298.db2.gz XNEJDLNZIXOOFZ-UHFFFAOYSA-N 2 2 337.439 1.737 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000430653348 305061461 /nfs/dbraw/zinc/06/14/61/305061461.db2.gz YXTKESBZDTVBST-QWHCGFSZSA-N 2 2 336.411 1.794 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)C1 ZINC000430653348 305061462 /nfs/dbraw/zinc/06/14/62/305061462.db2.gz YXTKESBZDTVBST-QWHCGFSZSA-N 2 2 336.411 1.794 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000430652966 305061485 /nfs/dbraw/zinc/06/14/85/305061485.db2.gz YNJOQXZRMSRXCB-CABCVRRESA-N 2 2 349.475 1.860 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000430652966 305061486 /nfs/dbraw/zinc/06/14/86/305061486.db2.gz YNJOQXZRMSRXCB-CABCVRRESA-N 2 2 349.475 1.860 20 0 EDADLP O=C(C[C@@H]1C[NH2+]CCO1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000430708310 305063067 /nfs/dbraw/zinc/06/30/67/305063067.db2.gz IOTDSLBNYWSYTH-MRXNPFEDSA-N 2 2 332.448 1.457 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)C2 ZINC000430867094 305066384 /nfs/dbraw/zinc/06/63/84/305066384.db2.gz JBNJYJNFYDLQTG-UONOGXRCSA-N 2 2 334.464 1.380 20 0 EDADLP [NH3+][C@H](Cc1ccccc1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000430894864 305067278 /nfs/dbraw/zinc/06/72/78/305067278.db2.gz PXFUATYORNNJJA-GFCCVEGCSA-N 2 2 326.322 1.632 20 0 EDADLP C[NH2+]C1CC[NH+](CC(=O)N(C)CCCOc2ccc(F)cc2)CC1 ZINC000430930823 305068815 /nfs/dbraw/zinc/06/88/15/305068815.db2.gz UQEGUCGILAMNMY-UHFFFAOYSA-N 2 2 337.439 1.737 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430935384 305069155 /nfs/dbraw/zinc/06/91/55/305069155.db2.gz PZXWEIHKOKDGDG-ZDUSSCGKSA-N 2 2 325.840 1.376 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430935384 305069156 /nfs/dbraw/zinc/06/91/56/305069156.db2.gz PZXWEIHKOKDGDG-ZDUSSCGKSA-N 2 2 325.840 1.376 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC[C@H]1[NH3+] ZINC000430938157 305069424 /nfs/dbraw/zinc/06/94/24/305069424.db2.gz AQLNEERYGFRQKS-BLLLJJGKSA-N 2 2 330.432 1.186 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC[C@H]1[NH3+] ZINC000430938157 305069425 /nfs/dbraw/zinc/06/94/25/305069425.db2.gz AQLNEERYGFRQKS-BLLLJJGKSA-N 2 2 330.432 1.186 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000430950140 305070261 /nfs/dbraw/zinc/07/02/61/305070261.db2.gz GGQFALCNXJQHSR-LBPRGKRZSA-N 2 2 348.838 1.401 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000430950140 305070262 /nfs/dbraw/zinc/07/02/62/305070262.db2.gz GGQFALCNXJQHSR-LBPRGKRZSA-N 2 2 348.838 1.401 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430960647 305071141 /nfs/dbraw/zinc/07/11/41/305071141.db2.gz KSYBBCARNKMDMC-KGLIPLIRSA-N 2 2 335.448 1.470 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430960647 305071142 /nfs/dbraw/zinc/07/11/42/305071142.db2.gz KSYBBCARNKMDMC-KGLIPLIRSA-N 2 2 335.448 1.470 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NCCOCC[NH+](C)C ZINC000430973226 305071828 /nfs/dbraw/zinc/07/18/28/305071828.db2.gz SXZLSUDJOALAMM-HNNXBMFYSA-N 2 2 337.468 1.718 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000430972364 305071859 /nfs/dbraw/zinc/07/18/59/305071859.db2.gz RZIBIMHIRWYGEG-CABCVRRESA-N 2 2 328.460 1.756 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000430972364 305071860 /nfs/dbraw/zinc/07/18/60/305071860.db2.gz RZIBIMHIRWYGEG-CABCVRRESA-N 2 2 328.460 1.756 20 0 EDADLP C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)C1 ZINC000431071035 305074174 /nfs/dbraw/zinc/07/41/74/305074174.db2.gz SHRANPCEVIUZBP-CYBMUJFWSA-N 2 2 349.479 1.734 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1)N1CC[NH+](C)CC1 ZINC000431146023 305075919 /nfs/dbraw/zinc/07/59/19/305075919.db2.gz KSZUZHQXWZQPPT-HOTGVXAUSA-N 2 2 345.491 1.171 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)N1CC[NH+](C)CC1 ZINC000431146025 305076042 /nfs/dbraw/zinc/07/60/42/305076042.db2.gz KSZUZHQXWZQPPT-JKSUJKDBSA-N 2 2 345.491 1.171 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432117695 305087647 /nfs/dbraw/zinc/08/76/47/305087647.db2.gz RZNXZKWAYVCTKO-HNNXBMFYSA-N 2 2 334.464 1.470 20 0 EDADLP COCCCNC(=O)C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432117695 305087648 /nfs/dbraw/zinc/08/76/48/305087648.db2.gz RZNXZKWAYVCTKO-HNNXBMFYSA-N 2 2 334.464 1.470 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC2)c1 ZINC000433117424 305100903 /nfs/dbraw/zinc/10/09/03/305100903.db2.gz OPSLFLIZLMLYMH-KRWDZBQOSA-N 2 2 349.475 1.579 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433916650 305114360 /nfs/dbraw/zinc/11/43/60/305114360.db2.gz AJPCCZISMVQJAT-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000434307443 305120237 /nfs/dbraw/zinc/12/02/37/305120237.db2.gz MAZMWXIVOQLWLH-GTPINHCMSA-N 2 2 340.512 1.469 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434463036 305123491 /nfs/dbraw/zinc/12/34/91/305123491.db2.gz LBTMECWBOPMFSD-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434463036 305123492 /nfs/dbraw/zinc/12/34/92/305123492.db2.gz LBTMECWBOPMFSD-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CC[N@H+](CCNC(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000434990585 305133743 /nfs/dbraw/zinc/13/37/43/305133743.db2.gz HZIREHSNNKOJAY-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP CC[N@@H+](CCNC(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000434990585 305133744 /nfs/dbraw/zinc/13/37/44/305133744.db2.gz HZIREHSNNKOJAY-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+](CCNC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000434990585 305133745 /nfs/dbraw/zinc/13/37/45/305133745.db2.gz HZIREHSNNKOJAY-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+](CCNC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000434990585 305133746 /nfs/dbraw/zinc/13/37/46/305133746.db2.gz HZIREHSNNKOJAY-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000434987271 305133954 /nfs/dbraw/zinc/13/39/54/305133954.db2.gz MDUXAJPAZTUFFX-INIZCTEOSA-N 2 2 340.427 1.709 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435563532 305142509 /nfs/dbraw/zinc/14/25/09/305142509.db2.gz MLRNGPLGKFVYQV-LSDHHAIUSA-N 2 2 332.448 1.460 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435619181 305143575 /nfs/dbraw/zinc/14/35/75/305143575.db2.gz WVHFCATWRANTDV-HOCLYGCPSA-N 2 2 347.463 1.260 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435619181 305143576 /nfs/dbraw/zinc/14/35/76/305143576.db2.gz WVHFCATWRANTDV-HOCLYGCPSA-N 2 2 347.463 1.260 20 0 EDADLP CCOC(=O)[C@@H](CC)N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000441030030 305216739 /nfs/dbraw/zinc/21/67/39/305216739.db2.gz GXUHWHNMXFLAJV-QGZVFWFLSA-N 2 2 325.497 1.819 20 0 EDADLP CCOC(=O)[C@@H](CC)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441030030 305216740 /nfs/dbraw/zinc/21/67/40/305216740.db2.gz GXUHWHNMXFLAJV-QGZVFWFLSA-N 2 2 325.497 1.819 20 0 EDADLP Cc1ccn2cc(CNC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)[nH+]c2c1 ZINC000446290550 305262753 /nfs/dbraw/zinc/26/27/53/305262753.db2.gz YRKGIPQGLQNOAB-IDHHARJASA-N 2 2 342.443 1.791 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000447662163 305283916 /nfs/dbraw/zinc/28/39/16/305283916.db2.gz YSISAQKPEGLGHU-INIZCTEOSA-N 2 2 325.497 1.678 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449852923 305320468 /nfs/dbraw/zinc/32/04/68/305320468.db2.gz FUQPQQBHXXRVKJ-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449852923 305320469 /nfs/dbraw/zinc/32/04/69/305320469.db2.gz FUQPQQBHXXRVKJ-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)[NH+]1CCOCC1 ZINC000451366502 305341849 /nfs/dbraw/zinc/34/18/49/305341849.db2.gz YHDRLPFGFCZHNW-YLAKUSLOSA-N 2 2 347.503 1.357 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1)[NH+]1CCOCC1 ZINC000451366502 305341850 /nfs/dbraw/zinc/34/18/50/305341850.db2.gz YHDRLPFGFCZHNW-YLAKUSLOSA-N 2 2 347.503 1.357 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(CF)CC1 ZINC000451391095 305343209 /nfs/dbraw/zinc/34/32/09/305343209.db2.gz FIFABHWXBXHXQG-OAHLLOKOSA-N 2 2 334.439 1.800 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107251 305383307 /nfs/dbraw/zinc/38/33/07/305383307.db2.gz ASDKCIAZOXKFLH-UHFFFAOYSA-N 2 2 338.374 1.181 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107251 305383308 /nfs/dbraw/zinc/38/33/08/305383308.db2.gz ASDKCIAZOXKFLH-UHFFFAOYSA-N 2 2 338.374 1.181 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452126633 305384404 /nfs/dbraw/zinc/38/44/04/305384404.db2.gz UUOVDKWPAZNCSB-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452126633 305384405 /nfs/dbraw/zinc/38/44/05/305384405.db2.gz UUOVDKWPAZNCSB-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)[C@H](c1ccccc1)[NH+](C)C ZINC000458776334 305510263 /nfs/dbraw/zinc/51/02/63/305510263.db2.gz QBGIZEAABUOLJK-WMLDXEAASA-N 2 2 329.448 1.953 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)/C=C/c3[nH]cc[nH+]3)c2)CC1 ZINC000493580897 305619587 /nfs/dbraw/zinc/61/95/87/305619587.db2.gz CVTPPORRNZREEW-AATRIKPKSA-N 2 2 325.416 1.809 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]1 ZINC000516633875 305739380 /nfs/dbraw/zinc/73/93/80/305739380.db2.gz CDHQDTLBHRFNQK-NXHRZFHOSA-N 2 2 346.475 1.500 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000519248555 305767813 /nfs/dbraw/zinc/76/78/13/305767813.db2.gz IYQOLWWOJHMRQK-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)[C@H](C)O ZINC000422129191 447363233 /nfs/dbraw/zinc/36/32/33/447363233.db2.gz ILKRTXZEPTWQSS-DOTOQJQBSA-N 2 2 325.497 1.412 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)[C@H](C)O ZINC000422129191 447363235 /nfs/dbraw/zinc/36/32/35/447363235.db2.gz ILKRTXZEPTWQSS-DOTOQJQBSA-N 2 2 325.497 1.412 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[NH2+]C[C@H]3C(C)C)[nH+]c12 ZINC000529314732 305908152 /nfs/dbraw/zinc/90/81/52/305908152.db2.gz SQBCCUNPUSFPTF-INIZCTEOSA-N 2 2 329.448 1.825 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529325772 305909407 /nfs/dbraw/zinc/90/94/07/305909407.db2.gz MEGKHGJPWZFXLL-HNNXBMFYSA-N 2 2 335.452 1.203 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580895 306008189 /nfs/dbraw/zinc/00/81/89/306008189.db2.gz UWFFZUAQEOQLGY-GDBMZVCRSA-N 2 2 342.443 1.923 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580895 306008190 /nfs/dbraw/zinc/00/81/90/306008190.db2.gz UWFFZUAQEOQLGY-GDBMZVCRSA-N 2 2 342.443 1.923 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000536066895 306019433 /nfs/dbraw/zinc/01/94/33/306019433.db2.gz KUZBDGPJCZNNTQ-CYBMUJFWSA-N 2 2 342.399 1.619 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000536066895 306019434 /nfs/dbraw/zinc/01/94/34/306019434.db2.gz KUZBDGPJCZNNTQ-CYBMUJFWSA-N 2 2 342.399 1.619 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H](C)O1 ZINC000537547977 306027235 /nfs/dbraw/zinc/02/72/35/306027235.db2.gz BVRLHZJZELKVKY-HUUCEWRRSA-N 2 2 334.464 1.377 20 0 EDADLP CC[NH+]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000537573117 306027650 /nfs/dbraw/zinc/02/76/50/306027650.db2.gz PDCBOFOPFQQYQK-UHFFFAOYSA-N 2 2 334.445 1.258 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccn(C)n1 ZINC000544580394 306076815 /nfs/dbraw/zinc/07/68/15/306076815.db2.gz SKLIHFMHQCRJNJ-MRXNPFEDSA-N 2 2 328.464 1.808 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000553051057 306182291 /nfs/dbraw/zinc/18/22/91/306182291.db2.gz FVAAASOLJCBLFR-MRXNPFEDSA-N 2 2 330.476 1.714 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000553051057 306182292 /nfs/dbraw/zinc/18/22/92/306182292.db2.gz FVAAASOLJCBLFR-MRXNPFEDSA-N 2 2 330.476 1.714 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000554582902 306195974 /nfs/dbraw/zinc/19/59/74/306195974.db2.gz MCBJMLAEYCLTJD-UHFFFAOYSA-N 2 2 333.480 1.793 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458438659 447367856 /nfs/dbraw/zinc/36/78/56/447367856.db2.gz SXFNJCCPOPRJAI-OAHLLOKOSA-N 2 2 337.468 1.185 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458438659 447367864 /nfs/dbraw/zinc/36/78/64/447367864.db2.gz SXFNJCCPOPRJAI-OAHLLOKOSA-N 2 2 337.468 1.185 20 0 EDADLP CC(C)C(=O)Nc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000556938082 306221445 /nfs/dbraw/zinc/22/14/45/306221445.db2.gz WXVUUUPHKWPWRG-HNNXBMFYSA-N 2 2 333.436 1.388 20 0 EDADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(=O)N1CCC(C(=O)OCC)CC1 ZINC000414953261 447372732 /nfs/dbraw/zinc/37/27/32/447372732.db2.gz JPBNGHULDDWTLG-UONOGXRCSA-N 2 2 327.469 1.154 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000660855732 453613621 /nfs/dbraw/zinc/61/36/21/453613621.db2.gz FOTUHSREHLESLH-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCCCCn2cc[nH+]c2C)CCO1 ZINC000426062969 447384916 /nfs/dbraw/zinc/38/49/16/447384916.db2.gz RLUPRXWIRAYOOH-INIZCTEOSA-N 2 2 337.468 1.382 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCCCn2cc[nH+]c2C)CCO1 ZINC000426062969 447384919 /nfs/dbraw/zinc/38/49/19/447384919.db2.gz RLUPRXWIRAYOOH-INIZCTEOSA-N 2 2 337.468 1.382 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@@H]1O ZINC000426150183 447396387 /nfs/dbraw/zinc/39/63/87/447396387.db2.gz DKCSUSCRXGLGSR-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@@H]1O ZINC000426150183 447396389 /nfs/dbraw/zinc/39/63/89/447396389.db2.gz DKCSUSCRXGLGSR-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000378113195 447401423 /nfs/dbraw/zinc/40/14/23/447401423.db2.gz FYJRDKJQTKFJMQ-GJZGRUSLSA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000378113195 447401427 /nfs/dbraw/zinc/40/14/27/447401427.db2.gz FYJRDKJQTKFJMQ-GJZGRUSLSA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000378113195 447401429 /nfs/dbraw/zinc/40/14/29/447401429.db2.gz FYJRDKJQTKFJMQ-GJZGRUSLSA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000378113195 447401431 /nfs/dbraw/zinc/40/14/31/447401431.db2.gz FYJRDKJQTKFJMQ-GJZGRUSLSA-N 2 2 333.480 1.934 20 0 EDADLP O=C(NCCC[NH+]1CCCC1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045121447 440952267 /nfs/dbraw/zinc/95/22/67/440952267.db2.gz LGPAFXQLGYAWQQ-UHFFFAOYSA-N 2 2 331.464 1.967 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000104139552 441190477 /nfs/dbraw/zinc/19/04/77/441190477.db2.gz LEAGTFPLRMVPJE-INIZCTEOSA-N 2 2 331.464 1.646 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000104139552 441190479 /nfs/dbraw/zinc/19/04/79/441190479.db2.gz LEAGTFPLRMVPJE-INIZCTEOSA-N 2 2 331.464 1.646 20 0 EDADLP CCC[C@H](O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080493501 441174689 /nfs/dbraw/zinc/17/46/89/441174689.db2.gz WBRDIVYOYFQTFO-INIZCTEOSA-N 2 2 340.512 1.397 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1Cc2ccccc21 ZINC000105175414 441240605 /nfs/dbraw/zinc/24/06/05/441240605.db2.gz QXQDEGSOMABRMA-QGZVFWFLSA-N 2 2 344.503 1.994 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1Cc2ccccc21 ZINC000105175414 441240608 /nfs/dbraw/zinc/24/06/08/441240608.db2.gz QXQDEGSOMABRMA-QGZVFWFLSA-N 2 2 344.503 1.994 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000047500442 441197238 /nfs/dbraw/zinc/19/72/38/441197238.db2.gz VALJNYUZQANRJH-UHFFFAOYSA-N 2 2 340.431 1.857 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081256454 441244787 /nfs/dbraw/zinc/24/47/87/441244787.db2.gz WMVXWNGUDHNJQA-GOSISDBHSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081256454 441244790 /nfs/dbraw/zinc/24/47/90/441244790.db2.gz WMVXWNGUDHNJQA-GOSISDBHSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000081256454 441244794 /nfs/dbraw/zinc/24/47/94/441244794.db2.gz WMVXWNGUDHNJQA-GOSISDBHSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000081256454 441244797 /nfs/dbraw/zinc/24/47/97/441244797.db2.gz WMVXWNGUDHNJQA-GOSISDBHSA-N 2 2 331.460 1.360 20 0 EDADLP COCC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000048024074 441252191 /nfs/dbraw/zinc/25/21/91/441252191.db2.gz IWNFMXBYFKVMEA-UHFFFAOYSA-N 2 2 345.487 1.750 20 0 EDADLP COCC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000048024074 441252197 /nfs/dbraw/zinc/25/21/97/441252197.db2.gz IWNFMXBYFKVMEA-UHFFFAOYSA-N 2 2 345.487 1.750 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000072901345 441275633 /nfs/dbraw/zinc/27/56/33/441275633.db2.gz DCRGNGHNDCIVIB-UHFFFAOYSA-N 2 2 349.479 1.019 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000072901345 441275638 /nfs/dbraw/zinc/27/56/38/441275638.db2.gz DCRGNGHNDCIVIB-UHFFFAOYSA-N 2 2 349.479 1.019 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCc2ncc(-c3ccccc3)o2)CC1 ZINC000073165364 441299611 /nfs/dbraw/zinc/29/96/11/441299611.db2.gz XAMLUCUUCQACKF-UHFFFAOYSA-N 2 2 342.443 1.590 20 0 EDADLP CN(C)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccn1 ZINC000050798387 441389319 /nfs/dbraw/zinc/38/93/19/441389319.db2.gz LONYSKKVGODSTF-UHFFFAOYSA-N 2 2 345.491 1.436 20 0 EDADLP CC[N@H+](C)CCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000083714978 441370523 /nfs/dbraw/zinc/37/05/23/441370523.db2.gz GUYWAABMJSDJMW-UHFFFAOYSA-N 2 2 329.448 1.877 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000083714978 441370525 /nfs/dbraw/zinc/37/05/25/441370525.db2.gz GUYWAABMJSDJMW-UHFFFAOYSA-N 2 2 329.448 1.877 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000074267267 441415029 /nfs/dbraw/zinc/41/50/29/441415029.db2.gz GNUNMWBNNCHGQB-RDJZCZTQSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000074267267 441415032 /nfs/dbraw/zinc/41/50/32/441415032.db2.gz GNUNMWBNNCHGQB-RDJZCZTQSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000051762614 441422645 /nfs/dbraw/zinc/42/26/45/441422645.db2.gz LWRIESYNTHBLPI-UHFFFAOYSA-N 2 2 339.867 1.815 20 0 EDADLP CC1CC[NH+](CCCNC(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000074187058 441404530 /nfs/dbraw/zinc/40/45/30/441404530.db2.gz YMIPCPTVTCUMFT-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000109786501 441506502 /nfs/dbraw/zinc/50/65/02/441506502.db2.gz UCCRVZPISYCKST-ZWKOTPCHSA-N 2 2 337.508 1.963 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000109786501 441506504 /nfs/dbraw/zinc/50/65/04/441506504.db2.gz UCCRVZPISYCKST-ZWKOTPCHSA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCS1 ZINC000076072527 441592543 /nfs/dbraw/zinc/59/25/43/441592543.db2.gz BMLSZNJKMPLLOV-CQSZACIVSA-N 2 2 329.510 1.041 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCS1 ZINC000076072527 441592548 /nfs/dbraw/zinc/59/25/48/441592548.db2.gz BMLSZNJKMPLLOV-CQSZACIVSA-N 2 2 329.510 1.041 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000089932518 441597183 /nfs/dbraw/zinc/59/71/83/441597183.db2.gz MLNFZILLCYRHLM-HOTGVXAUSA-N 2 2 335.448 1.017 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000089932518 441597186 /nfs/dbraw/zinc/59/71/86/441597186.db2.gz MLNFZILLCYRHLM-HOTGVXAUSA-N 2 2 335.448 1.017 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCOCC1)COc1cccc2[nH]ccc21 ZINC000034760690 441601075 /nfs/dbraw/zinc/60/10/75/441601075.db2.gz PMDAFSHXWNNJOH-HNNXBMFYSA-N 2 2 333.432 1.220 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000114170682 441638368 /nfs/dbraw/zinc/63/83/68/441638368.db2.gz JABLHGPSPWCGBP-AWEZNQCLSA-N 2 2 345.443 1.945 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000114479111 441662032 /nfs/dbraw/zinc/66/20/32/441662032.db2.gz WSAAUDJXXHNOKQ-MRXNPFEDSA-N 2 2 348.466 1.358 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000114479111 441662033 /nfs/dbraw/zinc/66/20/33/441662033.db2.gz WSAAUDJXXHNOKQ-MRXNPFEDSA-N 2 2 348.466 1.358 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114479894 441663566 /nfs/dbraw/zinc/66/35/66/441663566.db2.gz IDRBMYKQPXMNLF-ZDUSSCGKSA-N 2 2 339.867 1.848 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114479894 441663570 /nfs/dbraw/zinc/66/35/70/441663570.db2.gz IDRBMYKQPXMNLF-ZDUSSCGKSA-N 2 2 339.867 1.848 20 0 EDADLP O=C(Cn1cc[nH+]c1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000076830546 441687837 /nfs/dbraw/zinc/68/78/37/441687837.db2.gz JZNBLZACEIERAN-UHFFFAOYSA-N 2 2 341.459 1.207 20 0 EDADLP O=C(Cn1cc[nH+]c1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000076830546 441687838 /nfs/dbraw/zinc/68/78/38/441687838.db2.gz JZNBLZACEIERAN-UHFFFAOYSA-N 2 2 341.459 1.207 20 0 EDADLP Cn1c(Sc2cc(-n3cc[nH+]c3)ncn2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000077225492 441737230 /nfs/dbraw/zinc/73/72/30/441737230.db2.gz GRSFHNLEIILRIQ-LLVKDONJSA-N 2 2 342.432 1.409 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc[nH+]c(N(C)C)n1 ZINC000077225625 441737663 /nfs/dbraw/zinc/73/76/63/441737663.db2.gz YCFFDNVTFNVQMO-OAHLLOKOSA-N 2 2 341.463 1.560 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137188461 441754076 /nfs/dbraw/zinc/75/40/76/441754076.db2.gz MNXKEIJFABHBND-ZWKOTPCHSA-N 2 2 343.471 1.566 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000139412542 441815436 /nfs/dbraw/zinc/81/54/36/441815436.db2.gz LKIRDOGTHSEQCP-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000139412542 441815442 /nfs/dbraw/zinc/81/54/42/441815442.db2.gz LKIRDOGTHSEQCP-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000158965797 441777380 /nfs/dbraw/zinc/77/73/80/441777380.db2.gz AOIPSYCKNOCKMP-SFHVURJKSA-N 2 2 341.459 1.068 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000173640099 441811163 /nfs/dbraw/zinc/81/11/63/441811163.db2.gz QIZZICQKRVDRPY-MRXNPFEDSA-N 2 2 333.476 1.734 20 0 EDADLP CC1CCC([N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]2CCCO2)CC1 ZINC000093176591 441862023 /nfs/dbraw/zinc/86/20/23/441862023.db2.gz ACYHSNZNJAYTQE-DAWZGUTISA-N 2 2 337.508 1.820 20 0 EDADLP CC1CCC([N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]2CCCO2)CC1 ZINC000093176591 441862029 /nfs/dbraw/zinc/86/20/29/441862029.db2.gz ACYHSNZNJAYTQE-DAWZGUTISA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000043179469 441825397 /nfs/dbraw/zinc/82/53/97/441825397.db2.gz OSQMIMASHDJPQN-UHFFFAOYSA-N 2 2 334.464 1.980 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNc2cc(-n3cccn3)nc(N)[nH+]2)C[C@H](C)O1 ZINC000092886752 441835929 /nfs/dbraw/zinc/83/59/29/441835929.db2.gz ARHWUPBDIGVFGJ-STQMWFEESA-N 2 2 345.451 1.544 20 0 EDADLP CN1CC[NH+](CC2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)CC1 ZINC000069156218 441901096 /nfs/dbraw/zinc/90/10/96/441901096.db2.gz UUVQKDNGZQRSCQ-UHFFFAOYSA-N 2 2 341.459 1.434 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124030648 441905976 /nfs/dbraw/zinc/90/59/76/441905976.db2.gz YBJVFTSUASSUIF-QAPCUYQASA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124030648 441905979 /nfs/dbraw/zinc/90/59/79/441905979.db2.gz YBJVFTSUASSUIF-QAPCUYQASA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124030648 441905983 /nfs/dbraw/zinc/90/59/83/441905983.db2.gz YBJVFTSUASSUIF-QAPCUYQASA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124030648 441905987 /nfs/dbraw/zinc/90/59/87/441905987.db2.gz YBJVFTSUASSUIF-QAPCUYQASA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124030226 441906200 /nfs/dbraw/zinc/90/62/00/441906200.db2.gz YBJVFTSUASSUIF-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124030226 441906204 /nfs/dbraw/zinc/90/62/04/441906204.db2.gz YBJVFTSUASSUIF-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124030226 441906208 /nfs/dbraw/zinc/90/62/08/441906208.db2.gz YBJVFTSUASSUIF-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124030226 441906212 /nfs/dbraw/zinc/90/62/12/441906212.db2.gz YBJVFTSUASSUIF-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117762189 441878565 /nfs/dbraw/zinc/87/85/65/441878565.db2.gz YGHIRADGGKEDEG-HOTGVXAUSA-N 2 2 348.466 1.404 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117762189 441878567 /nfs/dbraw/zinc/87/85/67/441878567.db2.gz YGHIRADGGKEDEG-HOTGVXAUSA-N 2 2 348.466 1.404 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)Cn3cccn3)c2cc1C ZINC000069390116 441925394 /nfs/dbraw/zinc/92/53/94/441925394.db2.gz IWZYKXATVOWPQN-JKSUJKDBSA-N 2 2 327.432 1.889 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000118106526 441887901 /nfs/dbraw/zinc/88/79/01/441887901.db2.gz YNWYZEOKHIVHSZ-HNNXBMFYSA-N 2 2 327.388 1.021 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000118106526 441887907 /nfs/dbraw/zinc/88/79/07/441887907.db2.gz YNWYZEOKHIVHSZ-HNNXBMFYSA-N 2 2 327.388 1.021 20 0 EDADLP O=C1[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1CC(F)(F)F ZINC000151219068 442026368 /nfs/dbraw/zinc/02/63/68/442026368.db2.gz DHEYFBPZVRJIQP-ZIAGYGMSSA-N 2 2 333.398 1.957 20 0 EDADLP O=C1[C@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1CC(F)(F)F ZINC000151219068 442026371 /nfs/dbraw/zinc/02/63/71/442026371.db2.gz DHEYFBPZVRJIQP-ZIAGYGMSSA-N 2 2 333.398 1.957 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)[NH+]1CCSCC1 ZINC000151234827 442028697 /nfs/dbraw/zinc/02/86/97/442028697.db2.gz QVNYPNFCMLZESK-AWEZNQCLSA-N 2 2 339.530 1.830 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000175737000 442113384 /nfs/dbraw/zinc/11/33/84/442113384.db2.gz JWOKUVNFKRYLER-UHFFFAOYSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000175737000 442113389 /nfs/dbraw/zinc/11/33/89/442113389.db2.gz JWOKUVNFKRYLER-UHFFFAOYSA-N 3 2 339.528 1.186 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000126336252 442100805 /nfs/dbraw/zinc/10/08/05/442100805.db2.gz UZSWSATUGIUSGT-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000126336252 442100812 /nfs/dbraw/zinc/10/08/12/442100812.db2.gz UZSWSATUGIUSGT-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC[NH+](C)C)c[nH+]2)CCO1 ZINC000176199776 442189482 /nfs/dbraw/zinc/18/94/82/442189482.db2.gz OMIRUMSPUVHXEW-CQSZACIVSA-N 2 2 335.452 1.010 20 0 EDADLP COc1ccccc1C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000163238013 442153060 /nfs/dbraw/zinc/15/30/60/442153060.db2.gz ATNKHBCDHQXHDJ-KRWDZBQOSA-N 2 2 333.476 1.626 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000097000256 442154482 /nfs/dbraw/zinc/15/44/82/442154482.db2.gz ICPGVEFGNSKXTI-UHFFFAOYSA-N 2 2 331.507 1.395 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000097000256 442154483 /nfs/dbraw/zinc/15/44/83/442154483.db2.gz ICPGVEFGNSKXTI-UHFFFAOYSA-N 2 2 331.507 1.395 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000152428711 442211738 /nfs/dbraw/zinc/21/17/38/442211738.db2.gz PQGOAIHFWYFCAH-INIZCTEOSA-N 2 2 349.475 1.594 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000152428711 442211742 /nfs/dbraw/zinc/21/17/42/442211742.db2.gz PQGOAIHFWYFCAH-INIZCTEOSA-N 2 2 349.475 1.594 20 0 EDADLP COc1ccc(CNC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000152428711 442211746 /nfs/dbraw/zinc/21/17/46/442211746.db2.gz PQGOAIHFWYFCAH-INIZCTEOSA-N 2 2 349.475 1.594 20 0 EDADLP COc1ccc(CNC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000152428711 442211748 /nfs/dbraw/zinc/21/17/48/442211748.db2.gz PQGOAIHFWYFCAH-INIZCTEOSA-N 2 2 349.475 1.594 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000167422875 442220773 /nfs/dbraw/zinc/22/07/73/442220773.db2.gz MUSGEXSUXUFBRJ-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)CC2 ZINC000168943940 442225488 /nfs/dbraw/zinc/22/54/88/442225488.db2.gz YIRONPBIKJZORX-HXUWFJFHSA-N 2 2 331.504 1.962 20 0 EDADLP Cn1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000177149304 442305160 /nfs/dbraw/zinc/30/51/60/442305160.db2.gz HLOIKOZSTKVRLF-UHFFFAOYSA-N 2 2 328.460 1.934 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccco1 ZINC000171003099 442297510 /nfs/dbraw/zinc/29/75/10/442297510.db2.gz SHWPNCBRCUYBIS-CQSZACIVSA-N 2 2 338.452 1.292 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccco1 ZINC000171003099 442297512 /nfs/dbraw/zinc/29/75/12/442297512.db2.gz SHWPNCBRCUYBIS-CQSZACIVSA-N 2 2 338.452 1.292 20 0 EDADLP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377890 442334044 /nfs/dbraw/zinc/33/40/44/442334044.db2.gz XAIDGWFNMGCDRP-IRXDYDNUSA-N 2 2 338.540 1.734 20 0 EDADLP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377890 442334047 /nfs/dbraw/zinc/33/40/47/442334047.db2.gz XAIDGWFNMGCDRP-IRXDYDNUSA-N 2 2 338.540 1.734 20 0 EDADLP C[C@H]1CCC[C@H](C)N1C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377890 442334049 /nfs/dbraw/zinc/33/40/49/442334049.db2.gz XAIDGWFNMGCDRP-IRXDYDNUSA-N 2 2 338.540 1.734 20 0 EDADLP C[C@H]1CCC[C@H](C)N1C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377890 442334053 /nfs/dbraw/zinc/33/40/53/442334053.db2.gz XAIDGWFNMGCDRP-IRXDYDNUSA-N 2 2 338.540 1.734 20 0 EDADLP Cc1nc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000154562234 442345371 /nfs/dbraw/zinc/34/53/71/442345371.db2.gz NMDJFBVGHNLJPG-SJPCQFCGSA-N 2 2 348.516 1.763 20 0 EDADLP Cc1nc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000154562234 442345373 /nfs/dbraw/zinc/34/53/73/442345373.db2.gz NMDJFBVGHNLJPG-SJPCQFCGSA-N 2 2 348.516 1.763 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000155152148 442378710 /nfs/dbraw/zinc/37/87/10/442378710.db2.gz JWVGTWQPTYQUQS-PKOBYXMFSA-N 3 2 347.503 1.970 20 0 EDADLP C[C@H](NC(=O)NCCC[NH+]1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000171595841 442361012 /nfs/dbraw/zinc/36/10/12/442361012.db2.gz ANMLXCBCBCPXJK-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[N@H+](C)C1CC1 ZINC000171613877 442362489 /nfs/dbraw/zinc/36/24/89/442362489.db2.gz XXTWBJTXNXUYQC-AWEZNQCLSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[N@@H+](C)C1CC1 ZINC000171613877 442362491 /nfs/dbraw/zinc/36/24/91/442362491.db2.gz XXTWBJTXNXUYQC-AWEZNQCLSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178214528 442415713 /nfs/dbraw/zinc/41/57/13/442415713.db2.gz DXCRVQGOZSZNOT-IAGOWNOFSA-N 2 2 336.524 1.393 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178214528 442415715 /nfs/dbraw/zinc/41/57/15/442415715.db2.gz DXCRVQGOZSZNOT-IAGOWNOFSA-N 2 2 336.524 1.393 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC[C@@H]21 ZINC000133521149 442422248 /nfs/dbraw/zinc/42/22/48/442422248.db2.gz FOQREFOORNIFIK-BBWFWOEESA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC[C@@H]21 ZINC000133521149 442422250 /nfs/dbraw/zinc/42/22/50/442422250.db2.gz FOQREFOORNIFIK-BBWFWOEESA-N 2 2 345.491 1.606 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC[C@@H]21 ZINC000133521149 442422252 /nfs/dbraw/zinc/42/22/52/442422252.db2.gz FOQREFOORNIFIK-BBWFWOEESA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC[C@@H]21 ZINC000133521149 442422255 /nfs/dbraw/zinc/42/22/55/442422255.db2.gz FOQREFOORNIFIK-BBWFWOEESA-N 2 2 345.491 1.606 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172259736 442431721 /nfs/dbraw/zinc/43/17/21/442431721.db2.gz KANSNEKXHFTFSS-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172259736 442431723 /nfs/dbraw/zinc/43/17/23/442431723.db2.gz KANSNEKXHFTFSS-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000172259736 442431724 /nfs/dbraw/zinc/43/17/24/442431724.db2.gz KANSNEKXHFTFSS-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000172259736 442431726 /nfs/dbraw/zinc/43/17/26/442431726.db2.gz KANSNEKXHFTFSS-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000178592083 442446082 /nfs/dbraw/zinc/44/60/82/442446082.db2.gz QZSHNBUOBYLUMS-WBVHZDCISA-N 2 2 332.448 1.724 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000178592083 442446085 /nfs/dbraw/zinc/44/60/85/442446085.db2.gz QZSHNBUOBYLUMS-WBVHZDCISA-N 2 2 332.448 1.724 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000178592094 442446265 /nfs/dbraw/zinc/44/62/65/442446265.db2.gz QZSHNBUOBYLUMS-RDJZCZTQSA-N 2 2 332.448 1.724 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCOC1=O ZINC000178592094 442446269 /nfs/dbraw/zinc/44/62/69/442446269.db2.gz QZSHNBUOBYLUMS-RDJZCZTQSA-N 2 2 332.448 1.724 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000179700579 442490802 /nfs/dbraw/zinc/49/08/02/442490802.db2.gz HJISXZPPTHKKCZ-QGZVFWFLSA-N 3 2 338.540 1.593 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccncc1 ZINC000156545682 442493001 /nfs/dbraw/zinc/49/30/01/442493001.db2.gz CAQDKSXQSDAFPJ-INIZCTEOSA-N 2 2 339.443 1.866 20 0 EDADLP CC[C@]1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCC[NH2+]1 ZINC000134557059 442494931 /nfs/dbraw/zinc/49/49/31/442494931.db2.gz QBSRQIFKESLVTD-LJQANCHMSA-N 2 2 341.459 1.511 20 0 EDADLP CC[C@]1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000134565112 442495655 /nfs/dbraw/zinc/49/56/55/442495655.db2.gz GZCOQMMIWCVCCR-RDTXWAMCSA-N 2 2 332.448 1.455 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cc(OC)c1 ZINC000178852309 442502631 /nfs/dbraw/zinc/50/26/31/442502631.db2.gz BCVWGOVBDNUQRS-INIZCTEOSA-N 2 2 347.459 1.348 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@H]1CC ZINC000178777565 442481787 /nfs/dbraw/zinc/48/17/87/442481787.db2.gz MXCPCGGISKSKJX-GFCCVEGCSA-N 2 2 326.466 1.175 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@H]1CC ZINC000178777565 442481790 /nfs/dbraw/zinc/48/17/90/442481790.db2.gz MXCPCGGISKSKJX-GFCCVEGCSA-N 2 2 326.466 1.175 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000178954202 442537905 /nfs/dbraw/zinc/53/79/05/442537905.db2.gz TVQMTBCPYQPWOC-WBVHZDCISA-N 2 2 333.501 1.892 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000172788291 442541901 /nfs/dbraw/zinc/54/19/01/442541901.db2.gz VJMYLYWWLWHUDA-SJORKVTESA-N 2 2 347.507 1.853 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000172788291 442541904 /nfs/dbraw/zinc/54/19/04/442541904.db2.gz VJMYLYWWLWHUDA-SJORKVTESA-N 2 2 347.507 1.853 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000172788291 442541908 /nfs/dbraw/zinc/54/19/08/442541908.db2.gz VJMYLYWWLWHUDA-SJORKVTESA-N 2 2 347.507 1.853 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000172788291 442541912 /nfs/dbraw/zinc/54/19/12/442541912.db2.gz VJMYLYWWLWHUDA-SJORKVTESA-N 2 2 347.507 1.853 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178923772 442526667 /nfs/dbraw/zinc/52/66/67/442526667.db2.gz RPALWZINKAWWPC-MRXNPFEDSA-N 2 2 332.448 1.279 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@]34CCOC4=O)c2cc1C ZINC000186666597 442587093 /nfs/dbraw/zinc/58/70/93/442587093.db2.gz HVCMPGYUBVDUBK-KXBFYZLASA-N 2 2 343.427 1.796 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@]34CCOC4=O)c2cc1C ZINC000186666597 442587097 /nfs/dbraw/zinc/58/70/97/442587097.db2.gz HVCMPGYUBVDUBK-KXBFYZLASA-N 2 2 343.427 1.796 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@H](O)C3(C)C)CC2)CC1 ZINC000186693897 442593882 /nfs/dbraw/zinc/59/38/82/442593882.db2.gz RJEVYSQSUWKQIM-CVEARBPZSA-N 2 2 338.496 1.004 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nc2c(s1)CCCC2 ZINC000179423582 442645807 /nfs/dbraw/zinc/64/58/07/442645807.db2.gz AKPZJJVJSZBZAR-ZDUSSCGKSA-N 2 2 336.505 1.837 20 0 EDADLP C[C@H]1SCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H]1C ZINC000179282952 442612407 /nfs/dbraw/zinc/61/24/07/442612407.db2.gz WQSNVAQQGYDBEG-UONOGXRCSA-N 2 2 328.526 1.548 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCSC3(CCOCC3)C2)CC1 ZINC000186808327 442614769 /nfs/dbraw/zinc/61/47/69/442614769.db2.gz IKNZKNRQJFWNAJ-OAHLLOKOSA-N 2 2 341.521 1.137 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCSC3(CCOCC3)C2)CC1 ZINC000186808327 442614771 /nfs/dbraw/zinc/61/47/71/442614771.db2.gz IKNZKNRQJFWNAJ-OAHLLOKOSA-N 2 2 341.521 1.137 20 0 EDADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181027291 442675611 /nfs/dbraw/zinc/67/56/11/442675611.db2.gz BXNQECRAKTXZHU-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000181031687 442676343 /nfs/dbraw/zinc/67/63/43/442676343.db2.gz PTNFHLOWVPGBNW-ZWKOTPCHSA-N 2 2 331.460 1.660 20 0 EDADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181044104 442677259 /nfs/dbraw/zinc/67/72/59/442677259.db2.gz NTHBMXOBFHEQRD-DOTOQJQBSA-N 2 2 347.459 1.279 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)c3coc(C[NH3+])c3)c[nH+]2)C[C@@H](C)O1 ZINC000188063950 442707156 /nfs/dbraw/zinc/70/71/56/442707156.db2.gz DPFBQATYMLZPLP-CHWSQXEVSA-N 2 2 344.415 1.677 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C3CC3)C2)CC1 ZINC000181308538 442689830 /nfs/dbraw/zinc/68/98/30/442689830.db2.gz KXAOHRVFXWHAID-KRWDZBQOSA-N 2 2 344.507 1.702 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C3CC3)C2)CC1 ZINC000181308538 442689833 /nfs/dbraw/zinc/68/98/33/442689833.db2.gz KXAOHRVFXWHAID-KRWDZBQOSA-N 2 2 344.507 1.702 20 0 EDADLP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000187755370 442691296 /nfs/dbraw/zinc/69/12/96/442691296.db2.gz LMYYTNPIWAWERG-UXHICEINSA-N 2 2 348.487 1.437 20 0 EDADLP COC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000187755370 442691298 /nfs/dbraw/zinc/69/12/98/442691298.db2.gz LMYYTNPIWAWERG-UXHICEINSA-N 2 2 348.487 1.437 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181373086 442693641 /nfs/dbraw/zinc/69/36/41/442693641.db2.gz RWFZUOBGDYCJDI-HNNXBMFYSA-N 2 2 330.436 1.303 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC[C@H](C)[NH3+] ZINC000193310670 442731847 /nfs/dbraw/zinc/73/18/47/442731847.db2.gz RHIHNVMZWZUHJU-DLBZAZTESA-N 2 2 333.476 1.863 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000188460283 442752389 /nfs/dbraw/zinc/75/23/89/442752389.db2.gz FWOHWJJREYPYII-UHFFFAOYSA-N 2 2 328.501 1.471 20 0 EDADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182668776 442803459 /nfs/dbraw/zinc/80/34/59/442803459.db2.gz ULIUXBGPEIOJHR-HNNXBMFYSA-N 2 2 327.375 1.016 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193633407 442761824 /nfs/dbraw/zinc/76/18/24/442761824.db2.gz FZADNGICFJVFMI-CALCHBBNSA-N 2 2 331.460 1.585 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193633407 442761825 /nfs/dbraw/zinc/76/18/25/442761825.db2.gz FZADNGICFJVFMI-CALCHBBNSA-N 2 2 331.460 1.585 20 0 EDADLP CCCOc1ccc(CNC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193633407 442761826 /nfs/dbraw/zinc/76/18/26/442761826.db2.gz FZADNGICFJVFMI-CALCHBBNSA-N 2 2 331.460 1.585 20 0 EDADLP CCCOc1ccc(CNC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193633407 442761828 /nfs/dbraw/zinc/76/18/28/442761828.db2.gz FZADNGICFJVFMI-CALCHBBNSA-N 2 2 331.460 1.585 20 0 EDADLP Cc1cn2cc(NC(=O)NC[C@H](C)C[NH+]3CCOCC3)ccc2[nH+]1 ZINC000265685694 442879669 /nfs/dbraw/zinc/87/96/69/442879669.db2.gz CYPUPALUHPBORJ-ZDUSSCGKSA-N 2 2 331.420 1.733 20 0 EDADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000182959286 442854951 /nfs/dbraw/zinc/85/49/51/442854951.db2.gz UUTMQLLYKSWQFY-HUUCEWRRSA-N 2 2 325.497 1.628 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)c1ccccc1C[NH+]1CCOCC1 ZINC000265771305 442914703 /nfs/dbraw/zinc/91/47/03/442914703.db2.gz DXEKLVNMOZRPCX-UHFFFAOYSA-N 2 2 328.416 1.535 20 0 EDADLP CN(C(=O)CN1CC[NH+](CCCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000182750373 318512097 /nfs/dbraw/zinc/51/20/97/318512097.db2.gz WHQIZYNMETZIFV-UHFFFAOYSA-N 2 2 347.507 1.682 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248750216 442923842 /nfs/dbraw/zinc/92/38/42/442923842.db2.gz UHYBBBKNVDDVIM-DQCOHUIHSA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248750216 442923847 /nfs/dbraw/zinc/92/38/47/442923847.db2.gz UHYBBBKNVDDVIM-DQCOHUIHSA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CN(C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248750216 442923850 /nfs/dbraw/zinc/92/38/50/442923850.db2.gz UHYBBBKNVDDVIM-DQCOHUIHSA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CN(C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248750216 442923853 /nfs/dbraw/zinc/92/38/53/442923853.db2.gz UHYBBBKNVDDVIM-DQCOHUIHSA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H](N(C)C[C@@H](O)C[NH+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000248750216 442923858 /nfs/dbraw/zinc/92/38/58/442923858.db2.gz UHYBBBKNVDDVIM-DQCOHUIHSA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H](N(C)C[C@@H](O)C[NH+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000248750216 442923861 /nfs/dbraw/zinc/92/38/61/442923861.db2.gz UHYBBBKNVDDVIM-DQCOHUIHSA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H](N(C)C[C@@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248750216 442923862 /nfs/dbraw/zinc/92/38/62/442923862.db2.gz UHYBBBKNVDDVIM-DQCOHUIHSA-N 3 2 340.556 1.176 20 0 EDADLP C[C@@H]1C[C@H](N(C)C[C@@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000248750216 442923863 /nfs/dbraw/zinc/92/38/63/442923863.db2.gz UHYBBBKNVDDVIM-DQCOHUIHSA-N 3 2 340.556 1.176 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000249507499 442979709 /nfs/dbraw/zinc/97/97/09/442979709.db2.gz LKGQHWZNZPZHJR-FUHWJXTLSA-N 2 2 333.476 1.595 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000249507499 442979710 /nfs/dbraw/zinc/97/97/10/442979710.db2.gz LKGQHWZNZPZHJR-FUHWJXTLSA-N 2 2 333.476 1.595 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249765334 443003821 /nfs/dbraw/zinc/00/38/21/443003821.db2.gz IMBSZMYCUCRJRM-YVSFHVDLSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249765334 443003825 /nfs/dbraw/zinc/00/38/25/443003825.db2.gz IMBSZMYCUCRJRM-YVSFHVDLSA-N 2 2 340.512 1.373 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+]1C/C=C/C[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000184692776 443060835 /nfs/dbraw/zinc/06/08/35/443060835.db2.gz STKPCCLVUUSYGQ-DOOVEFGSSA-N 2 2 338.448 1.598 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@@H]1C(=O)OCC ZINC000184692776 443060839 /nfs/dbraw/zinc/06/08/39/443060839.db2.gz STKPCCLVUUSYGQ-DOOVEFGSSA-N 2 2 338.448 1.598 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185079004 443132201 /nfs/dbraw/zinc/13/22/01/443132201.db2.gz MCPBEGKIGIBCIW-UHFFFAOYSA-N 2 2 345.422 1.808 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(-n2cccn2)cc1 ZINC000268884707 443137407 /nfs/dbraw/zinc/13/74/07/443137407.db2.gz IIQICVRUGRSYMB-MAUKXSAKSA-N 2 2 341.459 1.863 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(-n2cccn2)cc1 ZINC000268884707 443137410 /nfs/dbraw/zinc/13/74/10/443137410.db2.gz IIQICVRUGRSYMB-MAUKXSAKSA-N 2 2 341.459 1.863 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(-n2cccn2)cc1 ZINC000268884710 443137452 /nfs/dbraw/zinc/13/74/52/443137452.db2.gz IIQICVRUGRSYMB-QAPCUYQASA-N 2 2 341.459 1.863 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(-n2cccn2)cc1 ZINC000268884710 443137454 /nfs/dbraw/zinc/13/74/54/443137454.db2.gz IIQICVRUGRSYMB-QAPCUYQASA-N 2 2 341.459 1.863 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000298628960 318835225 /nfs/dbraw/zinc/83/52/25/318835225.db2.gz JRKARFPUGVGYQC-LSDHHAIUSA-N 2 2 347.463 1.406 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261796882 443169863 /nfs/dbraw/zinc/16/98/63/443169863.db2.gz GVFCMAWTDRKDRB-OAHLLOKOSA-N 2 2 345.834 1.496 20 0 EDADLP [NH3+][C@H](CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000237898981 443187581 /nfs/dbraw/zinc/18/75/81/443187581.db2.gz TYXNILOSEWJDQX-ZWKOTPCHSA-N 2 2 331.460 1.790 20 0 EDADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000237933544 443189674 /nfs/dbraw/zinc/18/96/74/443189674.db2.gz UHRGPLMMJMBYEL-QGZVFWFLSA-N 2 2 328.416 1.316 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266630053 443191460 /nfs/dbraw/zinc/19/14/60/443191460.db2.gz WVBAQGYINSBMHG-WMZOPIPTSA-N 2 2 342.443 1.679 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266630053 443191463 /nfs/dbraw/zinc/19/14/63/443191463.db2.gz WVBAQGYINSBMHG-WMZOPIPTSA-N 2 2 342.443 1.679 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000185460120 443202345 /nfs/dbraw/zinc/20/23/45/443202345.db2.gz VXFLFWREJWCAHZ-WBVHZDCISA-N 2 2 339.505 1.120 20 0 EDADLP CCC[C@H](O)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269237493 443245446 /nfs/dbraw/zinc/24/54/46/443245446.db2.gz XORCGOMPKDQQAO-IRXDYDNUSA-N 2 2 330.432 1.078 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269250107 443250606 /nfs/dbraw/zinc/25/06/06/443250606.db2.gz OTQBBJJXWLWRSI-QAPCUYQASA-N 3 2 343.475 1.258 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H](C)[NH3+] ZINC000399547021 319137573 /nfs/dbraw/zinc/13/75/73/319137573.db2.gz YWVCJVOZQJLGBX-JQHSSLGASA-N 2 2 333.476 1.623 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H](C)[NH3+] ZINC000399547021 319137576 /nfs/dbraw/zinc/13/75/76/319137576.db2.gz YWVCJVOZQJLGBX-JQHSSLGASA-N 2 2 333.476 1.623 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000266824391 443257663 /nfs/dbraw/zinc/25/76/63/443257663.db2.gz WOOXPIIRMPRUEJ-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000266902749 443285774 /nfs/dbraw/zinc/28/57/74/443285774.db2.gz HBWJNHTXSWGJCE-UHFFFAOYSA-N 2 2 327.432 1.444 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC000416432219 319424319 /nfs/dbraw/zinc/42/43/19/319424319.db2.gz DQJQLXHDZLHXRB-SJORKVTESA-N 2 2 327.432 1.657 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[N@@H+]1C1CC1 ZINC000185859677 443269949 /nfs/dbraw/zinc/26/99/49/443269949.db2.gz KENOETRUUHRPQZ-GOEBONIOSA-N 2 2 349.500 1.941 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[N@H+]1C1CC1 ZINC000185859677 443269952 /nfs/dbraw/zinc/26/99/52/443269952.db2.gz KENOETRUUHRPQZ-GOEBONIOSA-N 2 2 349.500 1.941 20 0 EDADLP C[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000266952413 443301332 /nfs/dbraw/zinc/30/13/32/443301332.db2.gz XVBANLNKGUNSGO-IEBWSBKVSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000266952413 443301334 /nfs/dbraw/zinc/30/13/34/443301334.db2.gz XVBANLNKGUNSGO-IEBWSBKVSA-N 2 2 345.487 1.688 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000264609361 443345113 /nfs/dbraw/zinc/34/51/13/443345113.db2.gz HJOFAQDHRVYGEQ-JKSUJKDBSA-N 2 2 330.432 1.169 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000264609361 443345118 /nfs/dbraw/zinc/34/51/18/443345118.db2.gz HJOFAQDHRVYGEQ-JKSUJKDBSA-N 2 2 330.432 1.169 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264609361 443345121 /nfs/dbraw/zinc/34/51/21/443345121.db2.gz HJOFAQDHRVYGEQ-JKSUJKDBSA-N 2 2 330.432 1.169 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264609361 443345125 /nfs/dbraw/zinc/34/51/25/443345125.db2.gz HJOFAQDHRVYGEQ-JKSUJKDBSA-N 2 2 330.432 1.169 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416862393 319467410 /nfs/dbraw/zinc/46/74/10/319467410.db2.gz LJCYOLFFGZXNNM-RDJZCZTQSA-N 2 2 346.475 1.398 20 0 EDADLP [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416906626 319471138 /nfs/dbraw/zinc/47/11/38/319471138.db2.gz AMILNESZEIXJMX-QGZVFWFLSA-N 2 2 327.432 1.954 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000416945065 319482431 /nfs/dbraw/zinc/48/24/31/319482431.db2.gz VYHKBLZQBAEXOE-GOEBONIOSA-N 2 2 331.464 1.951 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264552046 443323283 /nfs/dbraw/zinc/32/32/83/443323283.db2.gz PASHCPHLEMCPSK-INIZCTEOSA-N 2 2 325.416 1.968 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@@H](C)CCC[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000418684086 319511120 /nfs/dbraw/zinc/51/11/20/319511120.db2.gz CCERQILYYVNFID-AWEZNQCLSA-N 2 2 348.495 1.867 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)o1 ZINC000278649597 443390329 /nfs/dbraw/zinc/39/03/29/443390329.db2.gz IAEQGXVRIVPYMR-GOEBONIOSA-N 2 2 335.448 1.480 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000278521094 443352091 /nfs/dbraw/zinc/35/20/91/443352091.db2.gz LEEKVRGLWKEFHV-UHFFFAOYSA-N 2 2 325.416 1.872 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)[C@H](C)C1 ZINC000282543331 443369199 /nfs/dbraw/zinc/36/91/99/443369199.db2.gz RFOHXPFECTZYAQ-SJLPKXTDSA-N 2 2 338.517 1.964 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)[C@H](C)C1 ZINC000282543331 443369203 /nfs/dbraw/zinc/36/92/03/443369203.db2.gz RFOHXPFECTZYAQ-SJLPKXTDSA-N 2 2 338.517 1.964 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420370827 319612407 /nfs/dbraw/zinc/61/24/07/319612407.db2.gz PDYJQTLNGINWIP-WFTHSTBKSA-N 2 2 349.475 1.857 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000264793103 443427683 /nfs/dbraw/zinc/42/76/83/443427683.db2.gz RXYXDMSFYCQACU-MRXNPFEDSA-N 2 2 346.431 1.042 20 0 EDADLP CN(C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1)S(C)(=O)=O ZINC000267379774 443437507 /nfs/dbraw/zinc/43/75/07/443437507.db2.gz MEICLVZKBOSSJD-UHFFFAOYSA-N 2 2 349.460 1.123 20 0 EDADLP CC[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422932301 319738930 /nfs/dbraw/zinc/73/89/30/319738930.db2.gz FKLARFXPXHOZBX-HOTGVXAUSA-N 2 2 325.478 1.226 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCOc2cc(OC)cc(OC)c2)C1 ZINC000273019325 443520694 /nfs/dbraw/zinc/52/06/94/443520694.db2.gz AGRHCUUUTZWORZ-HNNXBMFYSA-N 2 2 338.448 1.783 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCCOc2cc(OC)cc(OC)c2)C1 ZINC000273019325 443520700 /nfs/dbraw/zinc/52/07/00/443520700.db2.gz AGRHCUUUTZWORZ-HNNXBMFYSA-N 2 2 338.448 1.783 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000423830495 319819483 /nfs/dbraw/zinc/81/94/83/319819483.db2.gz AWMVSFHUHZYSEX-QGZVFWFLSA-N 2 2 346.475 1.520 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)C1 ZINC000272299255 443585345 /nfs/dbraw/zinc/58/53/45/443585345.db2.gz QINYTIOFIHIZBG-SZMVWBNQSA-N 2 2 330.476 1.171 20 0 EDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@]3(O)CCOC3)c[nH+]c12 ZINC000273123060 443542958 /nfs/dbraw/zinc/54/29/58/443542958.db2.gz ZZLBNQJFYMTUNV-AWEZNQCLSA-N 2 2 340.221 1.646 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000265138666 443546269 /nfs/dbraw/zinc/54/62/69/443546269.db2.gz POYKWEBRKIEVGS-OAHLLOKOSA-N 2 2 338.459 1.743 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000265138666 443546274 /nfs/dbraw/zinc/54/62/74/443546274.db2.gz POYKWEBRKIEVGS-OAHLLOKOSA-N 2 2 338.459 1.743 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000272433708 443623884 /nfs/dbraw/zinc/62/38/84/443623884.db2.gz DNCYIMLPSOVGEM-OAGGEKHMSA-N 2 2 329.448 1.396 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000272433708 443623887 /nfs/dbraw/zinc/62/38/87/443623887.db2.gz DNCYIMLPSOVGEM-OAGGEKHMSA-N 2 2 329.448 1.396 20 0 EDADLP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428402279 319910239 /nfs/dbraw/zinc/91/02/39/319910239.db2.gz HRIGCJQOHVYWGG-DZGCQCFKSA-N 2 2 329.400 1.928 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000279635473 443612455 /nfs/dbraw/zinc/61/24/55/443612455.db2.gz CISQVBSSPSRQKC-UHFFFAOYSA-N 2 2 333.342 1.944 20 0 EDADLP [NH3+]C1CC[NH+](CCCC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000433138103 319971434 /nfs/dbraw/zinc/97/14/34/319971434.db2.gz WMKSQKXPGMWZPR-UHFFFAOYSA-N 3 2 329.448 1.196 20 0 EDADLP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000286105659 443647248 /nfs/dbraw/zinc/64/72/48/443647248.db2.gz NJJJTZBRAFPMRF-YPMHNXCESA-N 2 2 339.461 1.525 20 0 EDADLP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000286105659 443647249 /nfs/dbraw/zinc/64/72/49/443647249.db2.gz NJJJTZBRAFPMRF-YPMHNXCESA-N 2 2 339.461 1.525 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444201121 320120289 /nfs/dbraw/zinc/12/02/89/320120289.db2.gz SVPZXXOANSZMCV-ZHALLVOQSA-N 2 2 329.444 1.003 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444201121 320120292 /nfs/dbraw/zinc/12/02/92/320120292.db2.gz SVPZXXOANSZMCV-ZHALLVOQSA-N 2 2 329.444 1.003 20 0 EDADLP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3CCCO)CC2)n1 ZINC000449386961 320187117 /nfs/dbraw/zinc/18/71/17/320187117.db2.gz KDSLRFBUQWQCRB-MRXNPFEDSA-N 2 2 338.521 1.857 20 0 EDADLP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3CCCO)CC2)n1 ZINC000449386961 320187120 /nfs/dbraw/zinc/18/71/20/320187120.db2.gz KDSLRFBUQWQCRB-MRXNPFEDSA-N 2 2 338.521 1.857 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000449393646 320187478 /nfs/dbraw/zinc/18/74/78/320187478.db2.gz MKLZQGQFRZWNNN-OAHLLOKOSA-N 2 2 337.430 1.840 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000449393646 320187481 /nfs/dbraw/zinc/18/74/81/320187481.db2.gz MKLZQGQFRZWNNN-OAHLLOKOSA-N 2 2 337.430 1.840 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000449399268 320189021 /nfs/dbraw/zinc/18/90/21/320189021.db2.gz ZEMGIJOCSRDKEK-KRWDZBQOSA-N 2 2 332.423 1.948 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000449399268 320189024 /nfs/dbraw/zinc/18/90/24/320189024.db2.gz ZEMGIJOCSRDKEK-KRWDZBQOSA-N 2 2 332.423 1.948 20 0 EDADLP C[C@@H]1Cc2cccc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)c2O1 ZINC000450045151 320210043 /nfs/dbraw/zinc/21/00/43/320210043.db2.gz FULJMLJHWVGORJ-CQSZACIVSA-N 2 2 331.460 1.766 20 0 EDADLP Cc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)nc(-c2ccncc2)[nH+]1 ZINC000450594283 320219816 /nfs/dbraw/zinc/21/98/16/320219816.db2.gz KBJPDUGBIFPWCU-INIZCTEOSA-N 2 2 327.432 1.528 20 0 EDADLP Cc1cc(NC[C@@H]2CCC[N@H+]2CCCO)nc(-c2ccncc2)[nH+]1 ZINC000450594283 320219817 /nfs/dbraw/zinc/21/98/17/320219817.db2.gz KBJPDUGBIFPWCU-INIZCTEOSA-N 2 2 327.432 1.528 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000280222378 443677408 /nfs/dbraw/zinc/67/74/08/443677408.db2.gz JRGWEHDTKJCGGU-UHFFFAOYSA-N 2 2 329.448 1.743 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000280222378 443677410 /nfs/dbraw/zinc/67/74/10/443677410.db2.gz JRGWEHDTKJCGGU-UHFFFAOYSA-N 2 2 329.448 1.743 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000298253750 443730873 /nfs/dbraw/zinc/73/08/73/443730873.db2.gz DXMCSUYDGKSPFF-OAHLLOKOSA-N 2 2 347.463 1.060 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000283827446 443733427 /nfs/dbraw/zinc/73/34/27/443733427.db2.gz FXQHOLBOJZBPON-SNAWJCMRSA-N 2 2 342.447 1.764 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000283827446 443733433 /nfs/dbraw/zinc/73/34/33/443733433.db2.gz FXQHOLBOJZBPON-SNAWJCMRSA-N 2 2 342.447 1.764 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000292317585 443790294 /nfs/dbraw/zinc/79/02/94/443790294.db2.gz MEIMVQYZAHZZMR-INIZCTEOSA-N 2 2 327.432 1.488 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000292317585 443790297 /nfs/dbraw/zinc/79/02/97/443790297.db2.gz MEIMVQYZAHZZMR-INIZCTEOSA-N 2 2 327.432 1.488 20 0 EDADLP C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000528717692 320558734 /nfs/dbraw/zinc/55/87/34/320558734.db2.gz FSYKMYRCLMLFAW-KBPBESRZSA-N 2 2 348.447 1.399 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000528759683 320562497 /nfs/dbraw/zinc/56/24/97/320562497.db2.gz ZLWISXVADBHGNA-OLMMMNRUSA-N 2 2 346.475 1.522 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000529908980 320599770 /nfs/dbraw/zinc/59/97/70/320599770.db2.gz PCZQMEJJWRVFMU-HNNXBMFYSA-N 2 2 332.448 1.159 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000281213334 443849583 /nfs/dbraw/zinc/84/95/83/443849583.db2.gz NYGNLOPEWXYNBA-MRXNPFEDSA-N 2 2 340.374 1.052 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000292960892 443888588 /nfs/dbraw/zinc/88/85/88/443888588.db2.gz JMMOQICKJZOYBR-LJQANCHMSA-N 2 2 328.460 1.973 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000292960892 443888595 /nfs/dbraw/zinc/88/85/95/443888595.db2.gz JMMOQICKJZOYBR-LJQANCHMSA-N 2 2 328.460 1.973 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)c[nH+]1 ZINC000298898763 443896315 /nfs/dbraw/zinc/89/63/15/443896315.db2.gz YTODTLKKOFHGOS-UHFFFAOYSA-N 2 2 331.464 1.821 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000285106098 443857768 /nfs/dbraw/zinc/85/77/68/443857768.db2.gz GPOZGVFRPFGGNV-YWPYICTPSA-N 2 2 335.452 1.023 20 0 EDADLP COC(=O)c1cc([C@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)oc1C ZINC000293017900 443903338 /nfs/dbraw/zinc/90/33/38/443903338.db2.gz VABNKSKDMULJIB-LBPRGKRZSA-N 2 2 332.404 1.991 20 0 EDADLP Cc1cccc2c1C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC2 ZINC000277094588 443909306 /nfs/dbraw/zinc/90/93/06/443909306.db2.gz GDJPDICHUBENAK-UHFFFAOYSA-N 2 2 345.487 1.580 20 0 EDADLP Cc1cccc2c1C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC2 ZINC000277094588 443909311 /nfs/dbraw/zinc/90/93/11/443909311.db2.gz GDJPDICHUBENAK-UHFFFAOYSA-N 2 2 345.487 1.580 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1(C)C ZINC000543086815 320788294 /nfs/dbraw/zinc/78/82/94/320788294.db2.gz LCEMZXRQWYJHSO-SOUVJXGZSA-N 2 2 334.464 1.704 20 0 EDADLP COc1ccc([C@H](CNC(=O)Cc2c[nH+]cn2C)[NH+]2CCCC2)cc1 ZINC000547540111 320832500 /nfs/dbraw/zinc/83/25/00/320832500.db2.gz TWVSNKMGZMNYLZ-SFHVURJKSA-N 2 2 342.443 1.925 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299239805 443992686 /nfs/dbraw/zinc/99/26/86/443992686.db2.gz JADHYTGORYTVMX-CYBMUJFWSA-N 2 2 331.420 1.509 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299239805 443992687 /nfs/dbraw/zinc/99/26/87/443992687.db2.gz JADHYTGORYTVMX-CYBMUJFWSA-N 2 2 331.420 1.509 20 0 EDADLP COc1cc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)ccc1S(C)(=O)=O ZINC000548307604 320872571 /nfs/dbraw/zinc/87/25/71/320872571.db2.gz WBYYSZSOQHAYRX-OCCSQVGLSA-N 2 2 349.456 1.961 20 0 EDADLP NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281919861 444039981 /nfs/dbraw/zinc/03/99/81/444039981.db2.gz CRIKQSLFISCKAC-ZDUSSCGKSA-N 2 2 349.435 1.594 20 0 EDADLP NC(=O)NC(=O)OCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281919861 444039985 /nfs/dbraw/zinc/03/99/85/444039985.db2.gz CRIKQSLFISCKAC-ZDUSSCGKSA-N 2 2 349.435 1.594 20 0 EDADLP C[C@@H]([NH2+]Cc1cnn(C)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000293429710 444014634 /nfs/dbraw/zinc/01/46/34/444014634.db2.gz BBJPYOFLHLDDFO-CYBMUJFWSA-N 2 2 332.427 1.557 20 0 EDADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3nnnn3CC3CCOCC3)C2)[nH]1 ZINC000277655460 444018469 /nfs/dbraw/zinc/01/84/69/444018469.db2.gz IOIGJCTXGJEYOE-CQSZACIVSA-N 2 2 331.424 1.202 20 0 EDADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3nnnn3CC3CCOCC3)C2)[nH]1 ZINC000277655460 444018473 /nfs/dbraw/zinc/01/84/73/444018473.db2.gz IOIGJCTXGJEYOE-CQSZACIVSA-N 2 2 331.424 1.202 20 0 EDADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000285674491 444067799 /nfs/dbraw/zinc/06/77/99/444067799.db2.gz HIJLZJAIBLNPJC-QZTJIDSGSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000285674491 444067803 /nfs/dbraw/zinc/06/78/03/444067803.db2.gz HIJLZJAIBLNPJC-QZTJIDSGSA-N 2 2 340.427 1.477 20 0 EDADLP COc1ccc(OC(C)C)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000560984116 321030063 /nfs/dbraw/zinc/03/00/63/321030063.db2.gz OBIQDBHMLHCKHZ-ZDUSSCGKSA-N 2 2 336.436 1.589 20 0 EDADLP COc1ccc(OC(C)C)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000560984116 321030065 /nfs/dbraw/zinc/03/00/65/321030065.db2.gz OBIQDBHMLHCKHZ-ZDUSSCGKSA-N 2 2 336.436 1.589 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[N@@H+]1CCCC[C@@H]1C ZINC000560985547 321030581 /nfs/dbraw/zinc/03/05/81/321030581.db2.gz ISTBOOZBOWEQRH-UONOGXRCSA-N 2 2 343.431 1.652 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[N@H+]1CCCC[C@@H]1C ZINC000560985547 321030583 /nfs/dbraw/zinc/03/05/83/321030583.db2.gz ISTBOOZBOWEQRH-UONOGXRCSA-N 2 2 343.431 1.652 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@@H]1Oc2ccccc2[C@H]1C ZINC000561194554 321035891 /nfs/dbraw/zinc/03/58/91/321035891.db2.gz PIXUBDKOVHOXEZ-XJIUQZFPSA-N 2 2 332.448 1.224 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@@H]1Oc2ccccc2[C@H]1C ZINC000561194554 321035893 /nfs/dbraw/zinc/03/58/93/321035893.db2.gz PIXUBDKOVHOXEZ-XJIUQZFPSA-N 2 2 332.448 1.224 20 0 EDADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)NC[C@@H]1C[NH2+]CCO1 ZINC000563545636 321111187 /nfs/dbraw/zinc/11/11/87/321111187.db2.gz MSAGORZYEPIQMP-INIZCTEOSA-N 2 2 347.463 1.250 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn2)n1 ZINC000564824021 321150274 /nfs/dbraw/zinc/15/02/74/321150274.db2.gz PPDWEOJQQFCBIW-HKUYNNGSSA-N 2 2 341.459 1.741 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565233928 321177636 /nfs/dbraw/zinc/17/76/36/321177636.db2.gz ZONRLPTYUSFGCP-GXTWGEPZSA-N 2 2 326.400 1.300 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCSCC(F)(F)F)C[C@@H](C)O1 ZINC000567685517 321252094 /nfs/dbraw/zinc/25/20/94/321252094.db2.gz BRVQUSDSUPWPFV-UTUOFQBUSA-N 2 2 330.416 1.342 20 0 EDADLP C[C@H](CC(=O)NCCCNC(=O)C[C@H](C)n1cc[nH+]c1)n1cc[nH+]c1 ZINC000568040610 321274094 /nfs/dbraw/zinc/27/40/94/321274094.db2.gz ZTZFABKXUPRKBP-GASCZTMLSA-N 2 2 346.435 1.305 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000568161604 321277608 /nfs/dbraw/zinc/27/76/08/321277608.db2.gz DXNBHUGZMZEIGA-VQIMIIECSA-N 3 2 344.503 1.710 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000568161604 321277609 /nfs/dbraw/zinc/27/76/09/321277609.db2.gz DXNBHUGZMZEIGA-VQIMIIECSA-N 3 2 344.503 1.710 20 0 EDADLP O=C1NCC[C@]12CCC[N@@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000568898137 321311137 /nfs/dbraw/zinc/31/11/37/321311137.db2.gz JAVYYDJNNMAUGA-LJQANCHMSA-N 2 2 329.444 1.373 20 0 EDADLP O=C1NCC[C@]12CCC[N@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000568898137 321311139 /nfs/dbraw/zinc/31/11/39/321311139.db2.gz JAVYYDJNNMAUGA-LJQANCHMSA-N 2 2 329.444 1.373 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC(=O)N(C)[C@@H](C)C3)c2cc1C ZINC000282221717 444118405 /nfs/dbraw/zinc/11/84/05/444118405.db2.gz OYTJOYSYCLCPLR-GJZGRUSLSA-N 2 2 330.432 1.177 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC(=O)N(C)[C@@H](C)C3)c2cc1C ZINC000282221717 444118410 /nfs/dbraw/zinc/11/84/10/444118410.db2.gz OYTJOYSYCLCPLR-GJZGRUSLSA-N 2 2 330.432 1.177 20 0 EDADLP CN(C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000571268092 321381581 /nfs/dbraw/zinc/38/15/81/321381581.db2.gz RYNNLUMBWBJGPH-SFHVURJKSA-N 2 2 346.475 1.453 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000571676468 321397037 /nfs/dbraw/zinc/39/70/37/321397037.db2.gz VAHUMRBWRSVFPQ-AWEZNQCLSA-N 2 2 333.417 1.282 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nnnn3C3CC3)C1)CCCC2 ZINC000299743474 444130973 /nfs/dbraw/zinc/13/09/73/444130973.db2.gz NRAYCFYLKFETBU-AWEZNQCLSA-N 2 2 327.436 1.839 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nnnn3C3CC3)C1)CCCC2 ZINC000299743474 444130975 /nfs/dbraw/zinc/13/09/75/444130975.db2.gz NRAYCFYLKFETBU-AWEZNQCLSA-N 2 2 327.436 1.839 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c[nH+]1 ZINC000573302296 321448563 /nfs/dbraw/zinc/44/85/63/321448563.db2.gz KKSPWLKBBHAFPN-INIZCTEOSA-N 2 2 332.448 1.562 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000289559725 444172220 /nfs/dbraw/zinc/17/22/20/444172220.db2.gz GUEQPVKWOOBFEP-QGZVFWFLSA-N 2 2 341.459 1.675 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000575025768 321511940 /nfs/dbraw/zinc/51/19/40/321511940.db2.gz RUJHFKFHHSICET-QZTJIDSGSA-N 2 2 346.475 1.420 20 0 EDADLP Cc1ccn(-c2ccc(NCC[NH+]3CCC([NH+](C)C)CC3)nn2)n1 ZINC000301549290 444179067 /nfs/dbraw/zinc/17/90/67/444179067.db2.gz QHWBPDMVKPAXFF-UHFFFAOYSA-N 2 2 329.452 1.409 20 0 EDADLP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301839587 444193401 /nfs/dbraw/zinc/19/34/01/444193401.db2.gz XPKZGNULHANZGQ-HZPDHXFCSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301839587 444193402 /nfs/dbraw/zinc/19/34/02/444193402.db2.gz XPKZGNULHANZGQ-HZPDHXFCSA-N 2 2 331.464 1.724 20 0 EDADLP CCOCC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295986793 444198208 /nfs/dbraw/zinc/19/82/08/444198208.db2.gz ORIBPMSTXLUPMH-IRXDYDNUSA-N 2 2 349.475 1.922 20 0 EDADLP CCOCC[C@H](O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295986793 444198209 /nfs/dbraw/zinc/19/82/09/444198209.db2.gz ORIBPMSTXLUPMH-IRXDYDNUSA-N 2 2 349.475 1.922 20 0 EDADLP CCc1ncnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1F ZINC000301973394 444198898 /nfs/dbraw/zinc/19/88/98/444198898.db2.gz UXHLYAINVJJVKR-YIONKMFJSA-N 2 2 333.455 1.925 20 0 EDADLP CCc1ncnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1F ZINC000301973394 444198901 /nfs/dbraw/zinc/19/89/01/444198901.db2.gz UXHLYAINVJJVKR-YIONKMFJSA-N 2 2 333.455 1.925 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000576373210 321561488 /nfs/dbraw/zinc/56/14/88/321561488.db2.gz NLDUOJJIVQYUPJ-ROUUACIJSA-N 2 2 346.475 1.420 20 0 EDADLP C[C@H](O)CC(C)(C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000304718955 444251851 /nfs/dbraw/zinc/25/18/51/444251851.db2.gz NZBALJHLVBBLRU-AWEZNQCLSA-N 2 2 328.501 1.109 20 0 EDADLP O=C1C[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CN1C1CC1 ZINC000576761737 321594254 /nfs/dbraw/zinc/59/42/54/321594254.db2.gz VYUDXYFBPHUYGK-MRXNPFEDSA-N 2 2 328.460 1.647 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000289976598 444226184 /nfs/dbraw/zinc/22/61/84/444226184.db2.gz QIHPZUHKMPBQQW-CYBMUJFWSA-N 2 2 332.404 1.132 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c2ccccc2)CC1 ZINC000577061533 321619592 /nfs/dbraw/zinc/61/95/92/321619592.db2.gz UROBAAUHRDWUBB-IEBWSBKVSA-N 2 2 348.466 1.135 20 0 EDADLP O[C@H](CN1CCC[N@H+](CC2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000303111180 444233799 /nfs/dbraw/zinc/23/37/99/444233799.db2.gz LYRJDSFYXZYDIY-LJQANCHMSA-N 2 2 339.524 1.268 20 0 EDADLP O[C@H](CN1CCC[N@@H+](CC2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000303111180 444233802 /nfs/dbraw/zinc/23/38/02/444233802.db2.gz LYRJDSFYXZYDIY-LJQANCHMSA-N 2 2 339.524 1.268 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000577552637 321662165 /nfs/dbraw/zinc/66/21/65/321662165.db2.gz FNRADTJQHSBCLT-UHFFFAOYSA-N 2 2 334.370 1.942 20 0 EDADLP CC(=O)Nc1nc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000577735118 321677747 /nfs/dbraw/zinc/67/77/47/321677747.db2.gz WAXMRXIFEYHHHX-ZFWWWQNUSA-N 2 2 338.477 1.820 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000290392744 444275450 /nfs/dbraw/zinc/27/54/50/444275450.db2.gz RWUHVWUQGVTIKC-CQSZACIVSA-N 2 2 343.431 1.656 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000297479372 444291849 /nfs/dbraw/zinc/29/18/49/444291849.db2.gz ZOZNJUQVMGWJHK-UHFFFAOYSA-N 2 2 338.415 1.184 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000578019379 321709491 /nfs/dbraw/zinc/70/94/91/321709491.db2.gz VFYLZLMKIRXABI-INIZCTEOSA-N 2 2 333.476 1.700 20 0 EDADLP Cc1c[nH]nc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000290563381 444295455 /nfs/dbraw/zinc/29/54/55/444295455.db2.gz XUQGNUPJPARNKQ-UHFFFAOYSA-N 2 2 327.476 1.968 20 0 EDADLP Cc1c[nH]nc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000290563381 444295458 /nfs/dbraw/zinc/29/54/58/444295458.db2.gz XUQGNUPJPARNKQ-UHFFFAOYSA-N 2 2 327.476 1.968 20 0 EDADLP C[NH2+]CCSCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000578067491 321716243 /nfs/dbraw/zinc/71/62/43/321716243.db2.gz QZGGIPHWBPLFEM-UHFFFAOYSA-N 2 2 341.908 1.937 20 0 EDADLP C[NH+](C)CC1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000331133302 444409431 /nfs/dbraw/zinc/40/94/31/444409431.db2.gz HIWYGCJTDKOWOB-UHFFFAOYSA-N 2 2 333.480 1.566 20 0 EDADLP Cn1ncc(Br)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000331145616 444416094 /nfs/dbraw/zinc/41/60/94/444416094.db2.gz YJVVXZMTCJXBNV-UHFFFAOYSA-N 2 2 331.258 1.119 20 0 EDADLP CO[C@H]1CCC[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000340302658 444377201 /nfs/dbraw/zinc/37/72/01/444377201.db2.gz PLSLZFSSYOWRIU-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP CO[C@H]1CCC[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000340302658 444377204 /nfs/dbraw/zinc/37/72/04/444377204.db2.gz PLSLZFSSYOWRIU-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000578983957 321863764 /nfs/dbraw/zinc/86/37/64/321863764.db2.gz ASUNRICSDNWPJX-ZMSDIMECSA-N 2 2 334.464 1.485 20 0 EDADLP CN1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)c2ccc[nH+]c21 ZINC000340638299 444468365 /nfs/dbraw/zinc/46/83/65/444468365.db2.gz MZRKJFAJZFZKMB-UHFFFAOYSA-N 2 2 346.456 1.788 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CCn3cc[nH+]c3)c[nH+]2)C[C@H](C)O1 ZINC000337999647 444482964 /nfs/dbraw/zinc/48/29/64/444482964.db2.gz JMPPQUFQELUNPT-GASCZTMLSA-N 2 2 343.431 1.598 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)CN1CC[NH+]1CCOCC1 ZINC000338002542 444483243 /nfs/dbraw/zinc/48/32/43/444483243.db2.gz YEWXCLJUBYADSE-IKGGRYGDSA-N 2 2 341.471 1.428 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC(F)(F)C[NH3+])c1 ZINC000580340808 322039662 /nfs/dbraw/zinc/03/96/62/322039662.db2.gz WGQPBPYCUBAJNQ-ZDUSSCGKSA-N 2 2 340.374 1.059 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC(F)(F)C[NH3+])c1 ZINC000580340808 322039663 /nfs/dbraw/zinc/03/96/63/322039663.db2.gz WGQPBPYCUBAJNQ-ZDUSSCGKSA-N 2 2 340.374 1.059 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000580553590 322066194 /nfs/dbraw/zinc/06/61/94/322066194.db2.gz ASCFIOXQIZVLGP-KEYYUXOJSA-N 2 2 331.460 1.397 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000580553590 322066196 /nfs/dbraw/zinc/06/61/96/322066196.db2.gz ASCFIOXQIZVLGP-KEYYUXOJSA-N 2 2 331.460 1.397 20 0 EDADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000580612100 322073396 /nfs/dbraw/zinc/07/33/96/322073396.db2.gz DWFMZYSSRRFYHM-KRWDZBQOSA-N 2 2 331.460 1.666 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000581079828 322133957 /nfs/dbraw/zinc/13/39/57/322133957.db2.gz GLTTWLJCTZFZON-DOTOQJQBSA-N 2 2 334.464 1.692 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000581079828 322133959 /nfs/dbraw/zinc/13/39/59/322133959.db2.gz GLTTWLJCTZFZON-DOTOQJQBSA-N 2 2 334.464 1.692 20 0 EDADLP Cc1cc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cn2cc[nH+]c12 ZINC000581115166 322136805 /nfs/dbraw/zinc/13/68/05/322136805.db2.gz KIDSXWPCWFNVDN-GASCZTMLSA-N 2 2 329.404 1.627 20 0 EDADLP Cc1cc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cn2cc[nH+]c12 ZINC000581115166 322136807 /nfs/dbraw/zinc/13/68/07/322136807.db2.gz KIDSXWPCWFNVDN-GASCZTMLSA-N 2 2 329.404 1.627 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cnc4ccc(Cl)cn34)C2)nn1 ZINC000581119095 322137611 /nfs/dbraw/zinc/13/76/11/322137611.db2.gz ATNYSHYACAACBM-CQSZACIVSA-N 2 2 345.838 1.875 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cnc4ccc(Cl)cn34)C2)nn1 ZINC000581119095 322137613 /nfs/dbraw/zinc/13/76/13/322137613.db2.gz ATNYSHYACAACBM-CQSZACIVSA-N 2 2 345.838 1.875 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000581437015 322177862 /nfs/dbraw/zinc/17/78/62/322177862.db2.gz UUOKFDQBHDAKGH-GOEBONIOSA-N 2 2 334.439 1.286 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000581437015 322177864 /nfs/dbraw/zinc/17/78/64/322177864.db2.gz UUOKFDQBHDAKGH-GOEBONIOSA-N 2 2 334.439 1.286 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CC(F)(F)C[NH3+])cc1 ZINC000581733495 322215315 /nfs/dbraw/zinc/21/53/15/322215315.db2.gz OVWYSZGTZDDODU-HNNXBMFYSA-N 2 2 341.402 1.469 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000581840935 322223644 /nfs/dbraw/zinc/22/36/44/322223644.db2.gz INRNGUDBCGLJPC-MRXNPFEDSA-N 2 2 346.475 1.597 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ncc(-c2ccccc2)o1 ZINC000581933052 322234507 /nfs/dbraw/zinc/23/45/07/322234507.db2.gz LDDVFIKTRNMPOA-HIFRSBDPSA-N 2 2 343.431 1.687 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ncc(-c2ccccc2)o1 ZINC000581933052 322234509 /nfs/dbraw/zinc/23/45/09/322234509.db2.gz LDDVFIKTRNMPOA-HIFRSBDPSA-N 2 2 343.431 1.687 20 0 EDADLP CCc1cc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)nc(C)[nH+]1 ZINC000329295345 444524509 /nfs/dbraw/zinc/52/45/09/444524509.db2.gz KAIJLZDLQPAQJA-UHFFFAOYSA-N 2 2 331.464 1.704 20 0 EDADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000342142464 444530630 /nfs/dbraw/zinc/53/06/30/444530630.db2.gz QELIGFNQYLBXQA-INIZCTEOSA-N 3 2 344.503 1.627 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338229004 444575034 /nfs/dbraw/zinc/57/50/34/444575034.db2.gz OCDSGPZMZWRZSD-UHFFFAOYSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342267136 444600686 /nfs/dbraw/zinc/60/06/86/444600686.db2.gz OOCNKYPTIUXILZ-IAGOWNOFSA-N 2 2 337.508 1.820 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332953512 444608763 /nfs/dbraw/zinc/60/87/63/444608763.db2.gz FFGHRGKUFBDVGO-CABCVRRESA-N 2 2 334.468 1.282 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332953512 444608766 /nfs/dbraw/zinc/60/87/66/444608766.db2.gz FFGHRGKUFBDVGO-CABCVRRESA-N 2 2 334.468 1.282 20 0 EDADLP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000338283627 444610452 /nfs/dbraw/zinc/61/04/52/444610452.db2.gz RMCBUFYHOJJFJL-UHFFFAOYSA-N 2 2 327.469 1.203 20 0 EDADLP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000338283627 444610454 /nfs/dbraw/zinc/61/04/54/444610454.db2.gz RMCBUFYHOJJFJL-UHFFFAOYSA-N 2 2 327.469 1.203 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)C1 ZINC000342366023 444658136 /nfs/dbraw/zinc/65/81/36/444658136.db2.gz HJOJQDBNCCMOFP-CRAIPNDOSA-N 2 2 349.450 1.752 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)C1 ZINC000342366023 444658139 /nfs/dbraw/zinc/65/81/39/444658139.db2.gz HJOJQDBNCCMOFP-CRAIPNDOSA-N 2 2 349.450 1.752 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343922975 444671489 /nfs/dbraw/zinc/67/14/89/444671489.db2.gz LXKWTBFSFKWCPN-XSLAGTTESA-N 2 2 338.540 1.638 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343922975 444671493 /nfs/dbraw/zinc/67/14/93/444671493.db2.gz LXKWTBFSFKWCPN-XSLAGTTESA-N 2 2 338.540 1.638 20 0 EDADLP C[N@@H+]1CCCC12CC[NH+](CCc1nnnn1-c1ccccc1)CC2 ZINC000329608751 444647574 /nfs/dbraw/zinc/64/75/74/444647574.db2.gz BSCMVUXODKHEOG-UHFFFAOYSA-N 2 2 326.448 1.765 20 0 EDADLP C[N@H+]1CCCC12CC[NH+](CCc1nnnn1-c1ccccc1)CC2 ZINC000329608751 444647578 /nfs/dbraw/zinc/64/75/78/444647578.db2.gz BSCMVUXODKHEOG-UHFFFAOYSA-N 2 2 326.448 1.765 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333893249 444710638 /nfs/dbraw/zinc/71/06/38/444710638.db2.gz HJVLPFGVKUBHKH-HOTGVXAUSA-N 2 2 329.448 1.575 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000341123079 444684935 /nfs/dbraw/zinc/68/49/35/444684935.db2.gz KRFPNSFJDZMHRP-JKSUJKDBSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000341123079 444684936 /nfs/dbraw/zinc/68/49/36/444684936.db2.gz KRFPNSFJDZMHRP-JKSUJKDBSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000341123079 444684938 /nfs/dbraw/zinc/68/49/38/444684938.db2.gz KRFPNSFJDZMHRP-JKSUJKDBSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000341123079 444684939 /nfs/dbraw/zinc/68/49/39/444684939.db2.gz KRFPNSFJDZMHRP-JKSUJKDBSA-N 2 2 326.485 1.080 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@H]21 ZINC000338550321 444744705 /nfs/dbraw/zinc/74/47/05/444744705.db2.gz MWRJDIGPSGLSLL-QZTJIDSGSA-N 2 2 329.444 1.437 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@H]21 ZINC000338550321 444744710 /nfs/dbraw/zinc/74/47/10/444744710.db2.gz MWRJDIGPSGLSLL-QZTJIDSGSA-N 2 2 329.444 1.437 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000341336588 444783953 /nfs/dbraw/zinc/78/39/53/444783953.db2.gz DDVYZPOQUFGYOE-UHFFFAOYSA-N 2 2 333.358 1.681 20 0 EDADLP Cc1cnc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1C ZINC000341256274 444751866 /nfs/dbraw/zinc/75/18/66/444751866.db2.gz HBPVEKWBGMOBCJ-KRWDZBQOSA-N 2 2 343.475 1.107 20 0 EDADLP Cc1c[nH+]c(CN[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)n1C ZINC000341256274 444751871 /nfs/dbraw/zinc/75/18/71/444751871.db2.gz HBPVEKWBGMOBCJ-KRWDZBQOSA-N 2 2 343.475 1.107 20 0 EDADLP C[C@H]1C[C@H](C)[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000342594032 444763856 /nfs/dbraw/zinc/76/38/56/444763856.db2.gz FPVYILCHYWDVKX-IRXDYDNUSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@H]1C[C@H](C)[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000342594032 444763862 /nfs/dbraw/zinc/76/38/62/444763862.db2.gz FPVYILCHYWDVKX-IRXDYDNUSA-N 2 2 345.487 1.865 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000341316435 444775921 /nfs/dbraw/zinc/77/59/21/444775921.db2.gz RKSBQBZATVGBBM-DLBZAZTESA-N 2 2 340.512 1.611 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000341316435 444775927 /nfs/dbraw/zinc/77/59/27/444775927.db2.gz RKSBQBZATVGBBM-DLBZAZTESA-N 2 2 340.512 1.611 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]c(C)cc2C)C[C@H]1[NH+]1CCOCC1 ZINC000334107421 444782111 /nfs/dbraw/zinc/78/21/11/444782111.db2.gz ZAAOFLQXOYAQNA-SJLPKXTDSA-N 2 2 346.475 1.951 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C12CCC2 ZINC000344138476 444802379 /nfs/dbraw/zinc/80/23/79/444802379.db2.gz NJPJCWFAIACFDA-QZTJIDSGSA-N 2 2 339.524 1.314 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000334126941 444789107 /nfs/dbraw/zinc/78/91/07/444789107.db2.gz QDYRZYNXHFGSHR-CQSZACIVSA-N 2 2 337.493 1.455 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000334126941 444789109 /nfs/dbraw/zinc/78/91/09/444789109.db2.gz QDYRZYNXHFGSHR-CQSZACIVSA-N 2 2 337.493 1.455 20 0 EDADLP CC[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000334126941 444789112 /nfs/dbraw/zinc/78/91/12/444789112.db2.gz QDYRZYNXHFGSHR-CQSZACIVSA-N 2 2 337.493 1.455 20 0 EDADLP CC[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000334126941 444789115 /nfs/dbraw/zinc/78/91/15/444789115.db2.gz QDYRZYNXHFGSHR-CQSZACIVSA-N 2 2 337.493 1.455 20 0 EDADLP CC(C)N1CC[C@@H]([NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000336883643 444831649 /nfs/dbraw/zinc/83/16/49/444831649.db2.gz ZUQTYUIWXRHZJJ-GOSISDBHSA-N 2 2 336.524 1.486 20 0 EDADLP CCNc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000341723963 444971783 /nfs/dbraw/zinc/97/17/83/444971783.db2.gz ULFVWAXTBMGLIV-CHWSQXEVSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(NC(C)(C)C)[nH+]1 ZINC000341723963 444971787 /nfs/dbraw/zinc/97/17/87/444971787.db2.gz ULFVWAXTBMGLIV-CHWSQXEVSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000341723963 444971791 /nfs/dbraw/zinc/97/17/91/444971791.db2.gz ULFVWAXTBMGLIV-CHWSQXEVSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000341723963 444971793 /nfs/dbraw/zinc/97/17/93/444971793.db2.gz ULFVWAXTBMGLIV-CHWSQXEVSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]c(NC(C)(C)C)n1 ZINC000341723963 444971797 /nfs/dbraw/zinc/97/17/97/444971797.db2.gz ULFVWAXTBMGLIV-CHWSQXEVSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]c(NC(C)(C)C)n1 ZINC000341723963 444971800 /nfs/dbraw/zinc/97/18/00/444971800.db2.gz ULFVWAXTBMGLIV-CHWSQXEVSA-N 2 2 333.484 1.396 20 0 EDADLP CNC(=O)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341907044 445066209 /nfs/dbraw/zinc/06/62/09/445066209.db2.gz WHMZUSVGFBJSAD-QZTJIDSGSA-N 2 2 333.476 1.638 20 0 EDADLP CNC(=O)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000341907044 445066215 /nfs/dbraw/zinc/06/62/15/445066215.db2.gz WHMZUSVGFBJSAD-QZTJIDSGSA-N 2 2 333.476 1.638 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](C4CC4)C3)CC2)CC1 ZINC000343127042 445082847 /nfs/dbraw/zinc/08/28/47/445082847.db2.gz UMKUTULHNWOEMR-INIZCTEOSA-N 2 2 334.508 1.987 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000343152971 445100260 /nfs/dbraw/zinc/10/02/60/445100260.db2.gz YHPJVCFZNYMXRU-CRAIPNDOSA-N 2 2 330.476 1.629 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000343152971 445100264 /nfs/dbraw/zinc/10/02/64/445100264.db2.gz YHPJVCFZNYMXRU-CRAIPNDOSA-N 2 2 330.476 1.629 20 0 EDADLP CC[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339256040 445118167 /nfs/dbraw/zinc/11/81/67/445118167.db2.gz MYRYBXXOEDYXJU-GVDBMIGSSA-N 2 2 327.513 1.968 20 0 EDADLP CC[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339256040 445118172 /nfs/dbraw/zinc/11/81/72/445118172.db2.gz MYRYBXXOEDYXJU-GVDBMIGSSA-N 2 2 327.513 1.968 20 0 EDADLP CC[C@H](C(=O)NCC[NH+](C)C1CCCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339273204 445129267 /nfs/dbraw/zinc/12/92/67/445129267.db2.gz YFMXQVXFAOKLFW-DLBZAZTESA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCC[NH+](C)C1CCCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339273204 445129270 /nfs/dbraw/zinc/12/92/70/445129270.db2.gz YFMXQVXFAOKLFW-DLBZAZTESA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCO[C@@H](CC)C1 ZINC000339273204 445129274 /nfs/dbraw/zinc/12/92/74/445129274.db2.gz YFMXQVXFAOKLFW-DLBZAZTESA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCO[C@@H](CC)C1 ZINC000339273204 445129278 /nfs/dbraw/zinc/12/92/78/445129278.db2.gz YFMXQVXFAOKLFW-DLBZAZTESA-N 2 2 325.497 1.866 20 0 EDADLP CC[N@H+](CC(=O)NC[C@](C)(O)C[NH+](C)C)Cc1ccccc1Cl ZINC000339517295 445146916 /nfs/dbraw/zinc/14/69/16/445146916.db2.gz SMLHCJPCRZIYNL-KRWDZBQOSA-N 2 2 341.883 1.591 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@](C)(O)C[NH+](C)C)Cc1ccccc1Cl ZINC000339517295 445146919 /nfs/dbraw/zinc/14/69/19/445146919.db2.gz SMLHCJPCRZIYNL-KRWDZBQOSA-N 2 2 341.883 1.591 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccnn3C3CCCC3)C[C@@H]21 ZINC000342077357 445159429 /nfs/dbraw/zinc/15/94/29/445159429.db2.gz BJSJQZQHLCXBSK-CWRNSKLLSA-N 2 2 331.464 1.996 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccnn3C3CCCC3)C[C@@H]21 ZINC000342077357 445159441 /nfs/dbraw/zinc/15/94/41/445159441.db2.gz BJSJQZQHLCXBSK-CWRNSKLLSA-N 2 2 331.464 1.996 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)[C@@H](C)C1 ZINC000343425225 445220392 /nfs/dbraw/zinc/22/03/92/445220392.db2.gz BGSOYAXZFHYNQL-YJBOKZPZSA-N 2 2 341.459 1.952 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)[C@@H](C)C1 ZINC000343425225 445220393 /nfs/dbraw/zinc/22/03/93/445220393.db2.gz BGSOYAXZFHYNQL-YJBOKZPZSA-N 2 2 341.459 1.952 20 0 EDADLP O=C1C[C@@H]([NH2+]CC[NH+]2CCCCC2)[C@@H](c2cccnc2)N1C1CC1 ZINC000346929105 445228376 /nfs/dbraw/zinc/22/83/76/445228376.db2.gz NRJMVOGVXRIRSE-IEBWSBKVSA-N 2 2 328.460 1.962 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)n2c1 ZINC000343459403 445226697 /nfs/dbraw/zinc/22/66/97/445226697.db2.gz UNEMDTHCFMMKMZ-KSSFIOAISA-N 2 2 338.415 1.438 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC000348007345 445261218 /nfs/dbraw/zinc/26/12/18/445261218.db2.gz HVUOWOONNKWWID-OKZBNKHCSA-N 2 2 335.492 1.715 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)C[C@@H]21 ZINC000348007345 445261221 /nfs/dbraw/zinc/26/12/21/445261221.db2.gz HVUOWOONNKWWID-OKZBNKHCSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C[C@@H]21 ZINC000348007345 445261223 /nfs/dbraw/zinc/26/12/23/445261223.db2.gz HVUOWOONNKWWID-OKZBNKHCSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C[C@@H]21 ZINC000348007345 445261226 /nfs/dbraw/zinc/26/12/26/445261226.db2.gz HVUOWOONNKWWID-OKZBNKHCSA-N 2 2 335.492 1.715 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[N@@H+]1C ZINC000343610579 445262427 /nfs/dbraw/zinc/26/24/27/445262427.db2.gz CXIZBWRMWHAZRV-GOEBONIOSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[N@H+]1C ZINC000343610579 445262430 /nfs/dbraw/zinc/26/24/30/445262430.db2.gz CXIZBWRMWHAZRV-GOEBONIOSA-N 2 2 331.464 1.964 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000348233021 445324010 /nfs/dbraw/zinc/32/40/10/445324010.db2.gz SDWDXAGPQDNOQP-OLZOCXBDSA-N 2 2 346.522 1.155 20 0 EDADLP C[C@H]([NH2+][C@@H](CO)[C@H]1CCCO1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348158391 445293986 /nfs/dbraw/zinc/29/39/86/445293986.db2.gz HLLRITCXBPUMQW-AFAVFJNCSA-N 2 2 344.415 1.533 20 0 EDADLP Cc1nc(N2CCN(Cc3ncc(C[NH+](C)C)s3)CC2)cc[nH+]1 ZINC000348253557 445329177 /nfs/dbraw/zinc/32/91/77/445329177.db2.gz CPSABVBGVAYOJV-UHFFFAOYSA-N 2 2 332.477 1.625 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849125 445342013 /nfs/dbraw/zinc/34/20/13/445342013.db2.gz FOTVQHBBEFLYLL-RYUDHWBXSA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849125 445342016 /nfs/dbraw/zinc/34/20/16/445342016.db2.gz FOTVQHBBEFLYLL-RYUDHWBXSA-N 2 2 337.420 1.320 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)s1 ZINC000354740969 445359906 /nfs/dbraw/zinc/35/99/06/445359906.db2.gz YEQKLGBGSWKZQB-CVEARBPZSA-N 2 2 325.478 1.614 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000351899380 445361972 /nfs/dbraw/zinc/36/19/72/445361972.db2.gz LWOCOOJHRBFQOF-HRCADAONSA-N 2 2 340.512 1.467 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000351800473 445325827 /nfs/dbraw/zinc/32/58/27/445325827.db2.gz SVEWQIALBXYOML-AEFFLSMTSA-N 2 2 348.491 1.618 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000357105066 445431468 /nfs/dbraw/zinc/43/14/68/445431468.db2.gz WYFFQFSXLMNRFP-HNAYVOBHSA-N 2 2 344.459 1.558 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000357105066 445431474 /nfs/dbraw/zinc/43/14/74/445431474.db2.gz WYFFQFSXLMNRFP-HNAYVOBHSA-N 2 2 344.459 1.558 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000357105066 445431477 /nfs/dbraw/zinc/43/14/77/445431477.db2.gz WYFFQFSXLMNRFP-HNAYVOBHSA-N 2 2 344.459 1.558 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000357105066 445431481 /nfs/dbraw/zinc/43/14/81/445431481.db2.gz WYFFQFSXLMNRFP-HNAYVOBHSA-N 2 2 344.459 1.558 20 0 EDADLP Cc1cc(N(C)C[C@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)nc[nH+]1 ZINC000359710589 445386881 /nfs/dbraw/zinc/38/68/81/445386881.db2.gz DDTXQPLIXBEPBO-UONOGXRCSA-N 2 2 345.426 1.694 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000348901203 445434343 /nfs/dbraw/zinc/43/43/43/445434343.db2.gz PLJLQYWOKUXTFM-BRSBDYLESA-N 2 2 339.524 1.970 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000348901203 445434348 /nfs/dbraw/zinc/43/43/48/445434348.db2.gz PLJLQYWOKUXTFM-BRSBDYLESA-N 2 2 339.524 1.970 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000348900041 445434755 /nfs/dbraw/zinc/43/47/55/445434755.db2.gz KOEQGKXFMCHHLS-SJORKVTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000348900041 445434756 /nfs/dbraw/zinc/43/47/56/445434756.db2.gz KOEQGKXFMCHHLS-SJORKVTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000348900041 445434758 /nfs/dbraw/zinc/43/47/58/445434758.db2.gz KOEQGKXFMCHHLS-SJORKVTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000348900041 445434759 /nfs/dbraw/zinc/43/47/59/445434759.db2.gz KOEQGKXFMCHHLS-SJORKVTESA-N 2 2 325.497 1.868 20 0 EDADLP CC(C)n1nccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000348923584 445442820 /nfs/dbraw/zinc/44/28/20/445442820.db2.gz UCFYRVDVIXLCEN-UHFFFAOYSA-N 2 2 333.480 1.450 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000362565472 445442871 /nfs/dbraw/zinc/44/28/71/445442871.db2.gz BHIBGVVTFJIXDM-NVXWUHKLSA-N 2 2 349.479 1.206 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2csnn2)CC1 ZINC000348934768 445447111 /nfs/dbraw/zinc/44/71/11/445447111.db2.gz NQOWWVLLFAGJMJ-UHFFFAOYSA-N 2 2 339.509 1.598 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1[NH+](C)C ZINC000355284597 445453577 /nfs/dbraw/zinc/45/35/77/445453577.db2.gz MVBQFPHRBSTSJA-BZUAXINKSA-N 2 2 341.521 1.134 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1[NH+](C)C ZINC000355284597 445453579 /nfs/dbraw/zinc/45/35/79/445453579.db2.gz MVBQFPHRBSTSJA-BZUAXINKSA-N 2 2 341.521 1.134 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@H](F)C[C@@H]1CN(C)C(=O)C[NH+](C)C ZINC000352052789 445461015 /nfs/dbraw/zinc/46/10/15/445461015.db2.gz NTVLTWVYHWLBKY-CHWSQXEVSA-N 2 2 328.457 1.384 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@H](F)C[C@@H]1CN(C)C(=O)C[NH+](C)C ZINC000352052789 445461020 /nfs/dbraw/zinc/46/10/20/445461020.db2.gz NTVLTWVYHWLBKY-CHWSQXEVSA-N 2 2 328.457 1.384 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348972361 445461408 /nfs/dbraw/zinc/46/14/08/445461408.db2.gz SHUDOSRHWMMPKW-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348972361 445461413 /nfs/dbraw/zinc/46/14/13/445461413.db2.gz SHUDOSRHWMMPKW-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348972361 445461416 /nfs/dbraw/zinc/46/14/16/445461416.db2.gz SHUDOSRHWMMPKW-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348972361 445461421 /nfs/dbraw/zinc/46/14/21/445461421.db2.gz SHUDOSRHWMMPKW-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000357172285 445466201 /nfs/dbraw/zinc/46/62/01/445466201.db2.gz BZQUXQFJZNEZJW-WMZOPIPTSA-N 2 2 347.528 1.809 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000357172285 445466204 /nfs/dbraw/zinc/46/62/04/445466204.db2.gz BZQUXQFJZNEZJW-WMZOPIPTSA-N 2 2 347.528 1.809 20 0 EDADLP COC(=O)c1oc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000362704306 445509461 /nfs/dbraw/zinc/50/94/61/445509461.db2.gz SZALCXDPVRBPQD-RDJZCZTQSA-N 2 2 349.475 1.832 20 0 EDADLP COC(=O)c1oc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000362704306 445509462 /nfs/dbraw/zinc/50/94/62/445509462.db2.gz SZALCXDPVRBPQD-RDJZCZTQSA-N 2 2 349.475 1.832 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000352385477 445524613 /nfs/dbraw/zinc/52/46/13/445524613.db2.gz HWYXVYOTDBBUQA-MRXNPFEDSA-N 2 2 333.480 2.236 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000352385477 445524618 /nfs/dbraw/zinc/52/46/18/445524618.db2.gz HWYXVYOTDBBUQA-MRXNPFEDSA-N 2 2 333.480 2.236 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000360008138 445525704 /nfs/dbraw/zinc/52/57/04/445525704.db2.gz UJOYVLSAJNAUKF-HNNXBMFYSA-N 2 2 329.404 1.865 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000357248665 445506443 /nfs/dbraw/zinc/50/64/43/445506443.db2.gz RSSSBVHIRLIHCR-OAHLLOKOSA-N 2 2 349.479 1.098 20 0 EDADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000362797609 445553936 /nfs/dbraw/zinc/55/39/36/445553936.db2.gz OQYBJKTWCAJXNY-MJGOQNOKSA-N 2 2 333.451 1.809 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[NH+](C)C ZINC000355995003 445563435 /nfs/dbraw/zinc/56/34/35/445563435.db2.gz VRBOZZCNDWZBJC-IAGOWNOFSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000355995003 445563439 /nfs/dbraw/zinc/56/34/39/445563439.db2.gz VRBOZZCNDWZBJC-IAGOWNOFSA-N 2 2 325.497 1.722 20 0 EDADLP c1cnc(N2CC[NH+](CCCNc3cc[nH+]c4ccncc34)CC2)nc1 ZINC000362852129 445580471 /nfs/dbraw/zinc/58/04/71/445580471.db2.gz HXRISGLHPFBRCQ-UHFFFAOYSA-N 2 2 349.442 1.466 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCC1 ZINC000353486403 445624984 /nfs/dbraw/zinc/62/49/84/445624984.db2.gz XVEZXGIAYJXHEQ-UHFFFAOYSA-N 2 2 331.460 1.178 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCC1 ZINC000353486403 445624987 /nfs/dbraw/zinc/62/49/87/445624987.db2.gz XVEZXGIAYJXHEQ-UHFFFAOYSA-N 2 2 331.460 1.178 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)CN1CCCC1=O ZINC000358619297 445679668 /nfs/dbraw/zinc/67/96/68/445679668.db2.gz FYKXBKIJPHOSSX-KRWDZBQOSA-N 2 2 333.476 1.470 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H](O)CN1CCCC1=O ZINC000358619297 445679673 /nfs/dbraw/zinc/67/96/73/445679673.db2.gz FYKXBKIJPHOSSX-KRWDZBQOSA-N 2 2 333.476 1.470 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(C(N)=O)cc3)CCC[N@@H+]2C)cn1 ZINC000363177650 445709243 /nfs/dbraw/zinc/70/92/43/445709243.db2.gz WPQVQVHFRDRTKH-FUHWJXTLSA-N 2 2 341.459 1.692 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(C(N)=O)cc3)CCC[N@H+]2C)cn1 ZINC000363177650 445709247 /nfs/dbraw/zinc/70/92/47/445709247.db2.gz WPQVQVHFRDRTKH-FUHWJXTLSA-N 2 2 341.459 1.692 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)OC ZINC000360583975 445715935 /nfs/dbraw/zinc/71/59/35/445715935.db2.gz PFPYTUBRULLXFH-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)OC ZINC000360583975 445715941 /nfs/dbraw/zinc/71/59/41/445715941.db2.gz PFPYTUBRULLXFH-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NC[C@@H]3C[N@H+](C)CCO3)CC2)[nH+]c1 ZINC000363202365 445718464 /nfs/dbraw/zinc/71/84/64/445718464.db2.gz QIQXDPFIQMPOMV-MRXNPFEDSA-N 2 2 332.448 1.053 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)CC2)[nH+]c1 ZINC000363202365 445718468 /nfs/dbraw/zinc/71/84/68/445718468.db2.gz QIQXDPFIQMPOMV-MRXNPFEDSA-N 2 2 332.448 1.053 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000353716991 445722509 /nfs/dbraw/zinc/72/25/09/445722509.db2.gz XVXKFITVUKSMDD-HUUCEWRRSA-N 2 2 337.468 1.136 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000353716991 445722513 /nfs/dbraw/zinc/72/25/13/445722513.db2.gz XVXKFITVUKSMDD-HUUCEWRRSA-N 2 2 337.468 1.136 20 0 EDADLP CC1CC[NH+](C[C@H](O)CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)CC1 ZINC000358741859 445753261 /nfs/dbraw/zinc/75/32/61/445753261.db2.gz AWMVZZDFOIBHCF-SJORKVTESA-N 2 2 329.448 1.577 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000350100106 445768357 /nfs/dbraw/zinc/76/83/57/445768357.db2.gz NHMIEIALFYZYMU-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000350100106 445768361 /nfs/dbraw/zinc/76/83/61/445768361.db2.gz NHMIEIALFYZYMU-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP NC(=O)[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000361582125 445831568 /nfs/dbraw/zinc/83/15/68/445831568.db2.gz IWNHXDMYWZLWIL-GXTWGEPZSA-N 2 2 349.232 1.777 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)c(C)n1 ZINC000361495854 445787639 /nfs/dbraw/zinc/78/76/39/445787639.db2.gz HSRVIBANWJZCJM-HNNXBMFYSA-N 2 2 335.496 1.134 20 0 EDADLP Cn1ccnc1[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000353881689 445795597 /nfs/dbraw/zinc/79/55/97/445795597.db2.gz MFBHJBONAZKSMB-GOSISDBHSA-N 2 2 347.507 1.257 20 0 EDADLP C[NH+](C)CCn1ncc(C(=O)NCc2c[nH+]c[nH]2)c1-c1ccccc1 ZINC000353915011 445811280 /nfs/dbraw/zinc/81/12/80/445811280.db2.gz YXNJJRNXIQUGQH-UHFFFAOYSA-N 2 2 338.415 1.765 20 0 EDADLP C[NH+](C)CCn1ncc(C(=O)NCc2c[nH]c[nH+]2)c1-c1ccccc1 ZINC000353915011 445811286 /nfs/dbraw/zinc/81/12/86/445811286.db2.gz YXNJJRNXIQUGQH-UHFFFAOYSA-N 2 2 338.415 1.765 20 0 EDADLP CCc1cc(=O)[nH]c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363466456 445815319 /nfs/dbraw/zinc/81/53/19/445815319.db2.gz GUCRUZPQVXNMNZ-INIZCTEOSA-N 2 2 333.480 1.345 20 0 EDADLP CCc1cc(=O)[nH]c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363466456 445815322 /nfs/dbraw/zinc/81/53/22/445815322.db2.gz GUCRUZPQVXNMNZ-INIZCTEOSA-N 2 2 333.480 1.345 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000354054343 445876801 /nfs/dbraw/zinc/87/68/01/445876801.db2.gz SGDIXCSIMRNJRB-MRXNPFEDSA-N 2 2 334.445 1.386 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000354054343 445876807 /nfs/dbraw/zinc/87/68/07/445876807.db2.gz SGDIXCSIMRNJRB-MRXNPFEDSA-N 2 2 334.445 1.386 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000350505346 445840288 /nfs/dbraw/zinc/84/02/88/445840288.db2.gz DKYZPBCZAXRPDB-JKSUJKDBSA-N 2 2 349.479 1.545 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000350505346 445840292 /nfs/dbraw/zinc/84/02/92/445840292.db2.gz DKYZPBCZAXRPDB-JKSUJKDBSA-N 2 2 349.479 1.545 20 0 EDADLP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC000356529199 445843109 /nfs/dbraw/zinc/84/31/09/445843109.db2.gz CYOPJUIQGCJGDK-AWEZNQCLSA-N 2 2 330.432 1.987 20 0 EDADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC000356529199 445843114 /nfs/dbraw/zinc/84/31/14/445843114.db2.gz CYOPJUIQGCJGDK-AWEZNQCLSA-N 2 2 330.432 1.987 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)C2 ZINC000363540069 445850170 /nfs/dbraw/zinc/85/01/70/445850170.db2.gz RWDIVZUTJFLXOE-CQSZACIVSA-N 2 2 333.461 1.852 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000361717965 445896189 /nfs/dbraw/zinc/89/61/89/445896189.db2.gz KMLBDBRQLYHDJS-ZACQAIPSSA-N 2 2 335.492 1.668 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC3(CCO)CC[NH+](C)CC3)cc2n1C ZINC000356632283 445899002 /nfs/dbraw/zinc/89/90/02/445899002.db2.gz NGOARHJVHIOGBA-UHFFFAOYSA-N 2 2 330.432 1.458 20 0 EDADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000359036708 445900760 /nfs/dbraw/zinc/90/07/60/445900760.db2.gz CNNDFQWOQRQTHC-ZIAGYGMSSA-N 2 2 335.404 1.182 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000359036708 445900763 /nfs/dbraw/zinc/90/07/63/445900763.db2.gz CNNDFQWOQRQTHC-ZIAGYGMSSA-N 2 2 335.404 1.182 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNc2cccc(-n3cc[nH+]c3)n2)C[C@H](C)O1 ZINC000361794992 445952711 /nfs/dbraw/zinc/95/27/11/445952711.db2.gz AYMOWISPFAWJNS-GASCZTMLSA-N 2 2 329.448 2.567 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNc2cccc(-n3cc[nH+]c3)n2)C[C@H](C)O1 ZINC000361794992 445952716 /nfs/dbraw/zinc/95/27/16/445952716.db2.gz AYMOWISPFAWJNS-GASCZTMLSA-N 2 2 329.448 2.567 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCc1cn2c([nH+]1)CCCC2)[NH+]1CCOCC1 ZINC000359172183 445998785 /nfs/dbraw/zinc/99/87/85/445998785.db2.gz XGVFIEHFLPMDRB-SFHVURJKSA-N 2 2 348.491 1.973 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356736688 445978007 /nfs/dbraw/zinc/97/80/07/445978007.db2.gz GHJOOVROZUPYIR-MRXNPFEDSA-N 2 2 333.476 1.977 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356736688 445978013 /nfs/dbraw/zinc/97/80/13/445978013.db2.gz GHJOOVROZUPYIR-MRXNPFEDSA-N 2 2 333.476 1.977 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+](C)C[C@H]3CCn4cc[nH+]c4C3)C2=O)n(C)n1 ZINC000365986770 445945894 /nfs/dbraw/zinc/94/58/94/445945894.db2.gz HAWPNBYQRNPLTJ-GJZGRUSLSA-N 2 2 342.447 1.225 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+](C)C[C@H]3CCn4cc[nH+]c4C3)C2=O)n(C)n1 ZINC000365986770 445945900 /nfs/dbraw/zinc/94/59/00/445945900.db2.gz HAWPNBYQRNPLTJ-GJZGRUSLSA-N 2 2 342.447 1.225 20 0 EDADLP CCCc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000369241698 446016247 /nfs/dbraw/zinc/01/62/47/446016247.db2.gz HODZBFVFWUOFPL-OAHLLOKOSA-N 2 2 343.479 1.657 20 0 EDADLP CCCc1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000369241698 446016252 /nfs/dbraw/zinc/01/62/52/446016252.db2.gz HODZBFVFWUOFPL-OAHLLOKOSA-N 2 2 343.479 1.657 20 0 EDADLP Cc1cn2c(n1)C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000625561642 450428793 /nfs/dbraw/zinc/42/87/93/450428793.db2.gz UGGUJWJXHUHRDQ-MRXNPFEDSA-N 2 2 347.507 1.238 20 0 EDADLP Cc1cn2c(n1)C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000625561642 450428797 /nfs/dbraw/zinc/42/87/97/450428797.db2.gz UGGUJWJXHUHRDQ-MRXNPFEDSA-N 2 2 347.507 1.238 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000625561642 450428801 /nfs/dbraw/zinc/42/88/01/450428801.db2.gz UGGUJWJXHUHRDQ-MRXNPFEDSA-N 3 2 347.507 1.238 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000625561642 450428806 /nfs/dbraw/zinc/42/88/06/450428806.db2.gz UGGUJWJXHUHRDQ-MRXNPFEDSA-N 3 2 347.507 1.238 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3ncc4ccccc43)C2)CC1 ZINC000369270161 446034993 /nfs/dbraw/zinc/03/49/93/446034993.db2.gz ZCAQKXFTUMISGE-INIZCTEOSA-N 2 2 341.459 1.321 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3ncc4ccccc43)C2)CC1 ZINC000369270161 446035000 /nfs/dbraw/zinc/03/50/00/446035000.db2.gz ZCAQKXFTUMISGE-INIZCTEOSA-N 2 2 341.459 1.321 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)C1CC1 ZINC000351335073 446035859 /nfs/dbraw/zinc/03/58/59/446035859.db2.gz FZLYNKWDUINQAU-LJQANCHMSA-N 2 2 345.487 1.470 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)C1CC1 ZINC000351335073 446035862 /nfs/dbraw/zinc/03/58/62/446035862.db2.gz FZLYNKWDUINQAU-LJQANCHMSA-N 2 2 345.487 1.470 20 0 EDADLP Cn1nc(C(C)(C)C)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369272768 446037175 /nfs/dbraw/zinc/03/71/75/446037175.db2.gz CSRQSVMYEOHQLR-AWEZNQCLSA-N 2 2 347.507 1.616 20 0 EDADLP Cn1nc(C(C)(C)C)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369272768 446037178 /nfs/dbraw/zinc/03/71/78/446037178.db2.gz CSRQSVMYEOHQLR-AWEZNQCLSA-N 2 2 347.507 1.616 20 0 EDADLP C[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273547 446037910 /nfs/dbraw/zinc/03/79/10/446037910.db2.gz HLMYVEFZKICXOG-CVEARBPZSA-N 2 2 331.460 1.739 20 0 EDADLP C[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273547 446037918 /nfs/dbraw/zinc/03/79/18/446037918.db2.gz HLMYVEFZKICXOG-CVEARBPZSA-N 2 2 331.460 1.739 20 0 EDADLP CCC[NH+]1CCN(C(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000359177453 446003243 /nfs/dbraw/zinc/00/32/43/446003243.db2.gz NSFRUFQVDMVIQX-KRWDZBQOSA-N 2 2 325.497 1.678 20 0 EDADLP Cc1nc([C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)sc1C ZINC000369280123 446047215 /nfs/dbraw/zinc/04/72/15/446047215.db2.gz ONRMOZLJKXBECI-HNNXBMFYSA-N 2 2 336.505 1.713 20 0 EDADLP Cc1nc([C@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)sc1C ZINC000369280123 446047220 /nfs/dbraw/zinc/04/72/20/446047220.db2.gz ONRMOZLJKXBECI-HNNXBMFYSA-N 2 2 336.505 1.713 20 0 EDADLP CC(C)(C)c1cccc(OCC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000583274316 326040698 /nfs/dbraw/zinc/04/06/98/326040698.db2.gz WOZHRHAXVNWXGS-WBVHZDCISA-N 2 2 331.460 1.607 20 0 EDADLP CC(C)(C)c1cccc(OCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000583274316 326040702 /nfs/dbraw/zinc/04/07/02/326040702.db2.gz WOZHRHAXVNWXGS-WBVHZDCISA-N 2 2 331.460 1.607 20 0 EDADLP CC(C)[C@H](O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000354257800 446053281 /nfs/dbraw/zinc/05/32/81/446053281.db2.gz ZMDQRYYNDQGNOE-SQNIBIBYSA-N 2 2 339.524 1.799 20 0 EDADLP CC(C)[C@H](O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000354257800 446053285 /nfs/dbraw/zinc/05/32/85/446053285.db2.gz ZMDQRYYNDQGNOE-SQNIBIBYSA-N 2 2 339.524 1.799 20 0 EDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])c2cscn2)cc1 ZINC000583498226 326084669 /nfs/dbraw/zinc/08/46/69/326084669.db2.gz FMBCULLWZWYXLE-HNNXBMFYSA-N 2 2 347.444 1.672 20 0 EDADLP CO[C@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000583632326 326108783 /nfs/dbraw/zinc/10/87/83/326108783.db2.gz VDCJVOYJMHXQNU-WMZOPIPTSA-N 2 2 342.443 1.439 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccn([C@H]3CCC[NH2+]C3)n1)CCC2 ZINC000365162947 446063000 /nfs/dbraw/zinc/06/30/00/446063000.db2.gz SFHFEPLJLKCBAH-GJZGRUSLSA-N 2 2 342.447 1.620 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584232504 326225375 /nfs/dbraw/zinc/22/53/75/326225375.db2.gz XMWOGCIEONIWKQ-VKJFTORMSA-N 2 2 336.480 1.466 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584232504 326225377 /nfs/dbraw/zinc/22/53/77/326225377.db2.gz XMWOGCIEONIWKQ-VKJFTORMSA-N 2 2 336.480 1.466 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000366217846 446087423 /nfs/dbraw/zinc/08/74/23/446087423.db2.gz NGBVUDRJPOTACX-GOEBONIOSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000366217846 446087430 /nfs/dbraw/zinc/08/74/30/446087430.db2.gz NGBVUDRJPOTACX-GOEBONIOSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366217846 446087434 /nfs/dbraw/zinc/08/74/34/446087434.db2.gz NGBVUDRJPOTACX-GOEBONIOSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366217846 446087438 /nfs/dbraw/zinc/08/74/38/446087438.db2.gz NGBVUDRJPOTACX-GOEBONIOSA-N 2 2 326.485 1.269 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000359309847 446140112 /nfs/dbraw/zinc/14/01/12/446140112.db2.gz QIYCUNSFGJZCAF-HOTGVXAUSA-N 2 2 345.462 1.905 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCS(=O)(=O)c3ccc(F)cc3)C[C@H]12 ZINC000351495698 446100037 /nfs/dbraw/zinc/10/00/37/446100037.db2.gz 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C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000351589324 446186893 /nfs/dbraw/zinc/18/68/93/446186893.db2.gz COZKUSWCVODGPP-NCOADZHNSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000351589324 446186899 /nfs/dbraw/zinc/18/68/99/446186899.db2.gz COZKUSWCVODGPP-NCOADZHNSA-N 2 2 336.480 1.118 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000359392189 446194510 /nfs/dbraw/zinc/19/45/10/446194510.db2.gz PFTLPYVWAJBLSG-CQSZACIVSA-N 2 2 334.489 1.812 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000359392189 446194516 /nfs/dbraw/zinc/19/45/16/446194516.db2.gz PFTLPYVWAJBLSG-CQSZACIVSA-N 2 2 334.489 1.812 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1CC ZINC000354432623 446200618 /nfs/dbraw/zinc/20/06/18/446200618.db2.gz OXNLNBFJUIDKRO-IRXDYDNUSA-N 2 2 348.491 1.713 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1CC 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446446714 /nfs/dbraw/zinc/44/67/14/446446714.db2.gz HPYPRKXMHHRZDQ-VXGBXAGGSA-N 2 2 327.379 1.094 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC[C@H]2CC[NH2+]CC2(F)F)nc[nH+]1 ZINC000420276541 446446718 /nfs/dbraw/zinc/44/67/18/446446718.db2.gz HPYPRKXMHHRZDQ-VXGBXAGGSA-N 2 2 327.379 1.094 20 0 EDADLP [NH3+]CCCOC1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000370798456 446448785 /nfs/dbraw/zinc/44/87/85/446448785.db2.gz OAOFOPKHJDOZCR-INIZCTEOSA-N 2 2 346.475 1.654 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000420282679 446449714 /nfs/dbraw/zinc/44/97/14/446449714.db2.gz AZZSHUXDLSGVRT-XEZPLFJOSA-N 2 2 333.432 1.147 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000420282679 446449715 /nfs/dbraw/zinc/44/97/15/446449715.db2.gz AZZSHUXDLSGVRT-XEZPLFJOSA-N 2 2 333.432 1.147 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000366923251 446411828 /nfs/dbraw/zinc/41/18/28/446411828.db2.gz PLWRENRXVFXKPT-OAHLLOKOSA-N 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ZINC000418211226 446460147 /nfs/dbraw/zinc/46/01/47/446460147.db2.gz KRSPAQOEYJCCPJ-SJLPKXTDSA-N 2 2 346.475 1.411 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420300672 446464165 /nfs/dbraw/zinc/46/41/65/446464165.db2.gz CYWQAJRNVOZFJX-CWRNSKLLSA-N 2 2 345.443 1.861 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420300672 446464171 /nfs/dbraw/zinc/46/41/71/446464171.db2.gz CYWQAJRNVOZFJX-CWRNSKLLSA-N 2 2 345.443 1.861 20 0 EDADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411284687 446466336 /nfs/dbraw/zinc/46/63/36/446466336.db2.gz YISXSNQBGUAGKD-MSOLQXFVSA-N 2 2 332.444 1.781 20 0 EDADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411284687 446466341 /nfs/dbraw/zinc/46/63/41/446466341.db2.gz YISXSNQBGUAGKD-MSOLQXFVSA-N 2 2 332.444 1.781 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423262921 446468520 /nfs/dbraw/zinc/46/85/20/446468520.db2.gz NTLQCFLSSITGJP-KGLIPLIRSA-N 2 2 327.494 1.975 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000452782722 446468733 /nfs/dbraw/zinc/46/87/33/446468733.db2.gz ZALWPCZIPWLZLW-DOTOQJQBSA-N 2 2 335.496 1.650 20 0 EDADLP C[C@H]1C[N@H+](Cc2cn3cccnc3n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030748 446476013 /nfs/dbraw/zinc/47/60/13/446476013.db2.gz RZWLYCDZXISMRT-DOTOQJQBSA-N 2 2 328.464 1.187 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cn3cccnc3n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030748 446476018 /nfs/dbraw/zinc/47/60/18/446476018.db2.gz RZWLYCDZXISMRT-DOTOQJQBSA-N 2 2 328.464 1.187 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3cnn(C)c3)C2)cc1 ZINC000420313394 446478875 /nfs/dbraw/zinc/47/88/75/446478875.db2.gz JAKUAZNAJRRATE-MAUKXSAKSA-N 2 2 330.432 1.545 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](c3cnn(C)c3)C2)cc1 ZINC000420313394 446478880 /nfs/dbraw/zinc/47/88/80/446478880.db2.gz JAKUAZNAJRRATE-MAUKXSAKSA-N 2 2 330.432 1.545 20 0 EDADLP COc1cc2[nH+]c(N3CCc4c([nH+]cn4C)C3)nc(N)c2cc1OC ZINC000370807549 446453807 /nfs/dbraw/zinc/45/38/07/446453807.db2.gz CXAVQXGGPXTIBW-UHFFFAOYSA-N 2 2 340.387 1.525 20 0 EDADLP COc1nccc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000367039862 446483443 /nfs/dbraw/zinc/48/34/43/446483443.db2.gz BBVWFJRTPPCKSK-ZDUSSCGKSA-N 2 2 348.451 1.117 20 0 EDADLP COc1nccc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000367039862 446483450 /nfs/dbraw/zinc/48/34/50/446483450.db2.gz BBVWFJRTPPCKSK-ZDUSSCGKSA-N 2 2 348.451 1.117 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000367047740 446488323 /nfs/dbraw/zinc/48/83/23/446488323.db2.gz MIOTXSZWVQASKD-HZPDHXFCSA-N 2 2 327.432 1.899 20 0 EDADLP c1ncn([C@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056540 446493439 /nfs/dbraw/zinc/49/34/39/446493439.db2.gz ZPVXVONYQXTLEN-OALUTQOASA-N 2 2 341.459 1.816 20 0 EDADLP c1ncn([C@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056540 446493446 /nfs/dbraw/zinc/49/34/46/446493446.db2.gz ZPVXVONYQXTLEN-OALUTQOASA-N 2 2 341.459 1.816 20 0 EDADLP c1ncn([C@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056540 446493456 /nfs/dbraw/zinc/49/34/56/446493456.db2.gz ZPVXVONYQXTLEN-OALUTQOASA-N 2 2 341.459 1.816 20 0 EDADLP c1ncn([C@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)n1 ZINC000367056540 446493459 /nfs/dbraw/zinc/49/34/59/446493459.db2.gz ZPVXVONYQXTLEN-OALUTQOASA-N 2 2 341.459 1.816 20 0 EDADLP O=C1CC[C@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C2CC2)N1 ZINC000367072143 446502214 /nfs/dbraw/zinc/50/22/14/446502214.db2.gz FAODXJVEIFHTKK-HBFSDRIKSA-N 2 2 327.472 1.950 20 0 EDADLP O=C1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C2CC2)N1 ZINC000367072143 446502220 /nfs/dbraw/zinc/50/22/20/446502220.db2.gz FAODXJVEIFHTKK-HBFSDRIKSA-N 2 2 327.472 1.950 20 0 EDADLP CCc1ccnc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000374997332 446503179 /nfs/dbraw/zinc/50/31/79/446503179.db2.gz JWCKUKWJKVUKDN-KRWDZBQOSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1ccnc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000374997332 446503185 /nfs/dbraw/zinc/50/31/85/446503185.db2.gz JWCKUKWJKVUKDN-KRWDZBQOSA-N 2 2 330.476 1.885 20 0 EDADLP C[C@H]1CN(c2ccnc3c2cnn3C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376446999 446503270 /nfs/dbraw/zinc/50/32/70/446503270.db2.gz DRHKLIRXIZAFOB-AWEZNQCLSA-N 2 2 328.464 1.573 20 0 EDADLP C[C@H]1CN(c2ccnc3c2cnn3C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376446999 446503276 /nfs/dbraw/zinc/50/32/76/446503276.db2.gz DRHKLIRXIZAFOB-AWEZNQCLSA-N 2 2 328.464 1.573 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[N@@H+]1CCOC ZINC000423374662 446507270 /nfs/dbraw/zinc/50/72/70/446507270.db2.gz CPZFJDAGPATCIQ-LRDDRELGSA-N 2 2 341.402 1.534 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[N@H+]1CCOC ZINC000423374662 446507274 /nfs/dbraw/zinc/50/72/74/446507274.db2.gz CPZFJDAGPATCIQ-LRDDRELGSA-N 2 2 341.402 1.534 20 0 EDADLP CC(C)(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@H]([NH3+])c1ccccc1 ZINC000423374319 446507464 /nfs/dbraw/zinc/50/74/64/446507464.db2.gz JTJCQOLETXBNEY-MRXNPFEDSA-N 2 2 333.476 1.940 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)[nH+]c12 ZINC000423379554 446510378 /nfs/dbraw/zinc/51/03/78/446510378.db2.gz DBTUMUVDYAPHOE-CYBMUJFWSA-N 2 2 338.415 1.763 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)s1 ZINC000418353825 446511888 /nfs/dbraw/zinc/51/18/88/446511888.db2.gz AVUJGASGBROUOE-CQSZACIVSA-N 2 2 336.505 1.890 20 0 EDADLP [NH3+]CC1(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000423392039 446514771 /nfs/dbraw/zinc/51/47/71/446514771.db2.gz NZWGZSSIZQOADZ-QGZVFWFLSA-N 2 2 331.460 1.175 20 0 EDADLP CC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000418326616 446500247 /nfs/dbraw/zinc/50/02/47/446500247.db2.gz ORBNWYVLLKLCFO-UHFFFAOYSA-N 2 2 338.427 1.271 20 0 EDADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000418483048 446561313 /nfs/dbraw/zinc/56/13/13/446561313.db2.gz FFCHPGUORRDMEK-ZDUSSCGKSA-N 2 2 336.867 1.948 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000420388195 446563480 /nfs/dbraw/zinc/56/34/80/446563480.db2.gz LGQAMUVSVPJLFY-UHFFFAOYSA-N 2 2 335.448 1.130 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000420388195 446563487 /nfs/dbraw/zinc/56/34/87/446563487.db2.gz LGQAMUVSVPJLFY-UHFFFAOYSA-N 2 2 335.448 1.130 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H](C)C[NH3+])CC2)cs1 ZINC000418496580 446566254 /nfs/dbraw/zinc/56/62/54/446566254.db2.gz VQZXKKQGSTYYCJ-GFCCVEGCSA-N 2 2 325.482 1.264 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H](C)C[NH3+])CC2)cs1 ZINC000418496580 446566259 /nfs/dbraw/zinc/56/62/59/446566259.db2.gz VQZXKKQGSTYYCJ-GFCCVEGCSA-N 2 2 325.482 1.264 20 0 EDADLP C[C@H]1CN(C(=O)NCCCOC(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000375018660 446517354 /nfs/dbraw/zinc/51/73/54/446517354.db2.gz RYPMNZSCKBWWPG-ZDUSSCGKSA-N 2 2 348.438 1.426 20 0 EDADLP C[C@H]1CN(C(=O)NCCCOC(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375018660 446517359 /nfs/dbraw/zinc/51/73/59/446517359.db2.gz RYPMNZSCKBWWPG-ZDUSSCGKSA-N 2 2 348.438 1.426 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418370455 446518574 /nfs/dbraw/zinc/51/85/74/446518574.db2.gz WDFWPUCGDMPOMD-NADMHLTPSA-N 2 2 330.476 1.883 20 0 EDADLP CN(CC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccccc1 ZINC000420350228 446527935 /nfs/dbraw/zinc/52/79/35/446527935.db2.gz GCGWNHUGTNRFKI-UHFFFAOYSA-N 2 2 340.475 1.697 20 0 EDADLP Oc1cccc2c1C[C@@H]([NH2+]C1CCN(CC[NH+]3CCOCC3)CC1)C2 ZINC000433032124 446530586 /nfs/dbraw/zinc/53/05/86/446530586.db2.gz LBNPNSPJHRNJEN-SFHVURJKSA-N 2 2 345.487 1.246 20 0 EDADLP Oc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CCN3CCOCC3)CC1)C2 ZINC000433032124 446530591 /nfs/dbraw/zinc/53/05/91/446530591.db2.gz LBNPNSPJHRNJEN-SFHVURJKSA-N 2 2 345.487 1.246 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420352539 446532020 /nfs/dbraw/zinc/53/20/20/446532020.db2.gz ASEIWNZKQSGSQH-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420352539 446532024 /nfs/dbraw/zinc/53/20/24/446532024.db2.gz ASEIWNZKQSGSQH-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP O=C(CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000420352317 446532252 /nfs/dbraw/zinc/53/22/52/446532252.db2.gz ABVJHWZKBFHHPU-INIZCTEOSA-N 2 2 337.851 1.535 20 0 EDADLP O=C(CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000420352317 446532256 /nfs/dbraw/zinc/53/22/56/446532256.db2.gz ABVJHWZKBFHHPU-INIZCTEOSA-N 2 2 337.851 1.535 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420360031 446540180 /nfs/dbraw/zinc/54/01/80/446540180.db2.gz GSGTWFRHLAUZGN-MUQADHOPSA-N 2 2 333.476 1.855 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000420362909 446543135 /nfs/dbraw/zinc/54/31/35/446543135.db2.gz ZTUSKQYGMPVRDX-GWCFXTLKSA-N 2 2 332.231 1.350 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000420362909 446543141 /nfs/dbraw/zinc/54/31/41/446543141.db2.gz ZTUSKQYGMPVRDX-GWCFXTLKSA-N 2 2 332.231 1.350 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000376509558 446545037 /nfs/dbraw/zinc/54/50/37/446545037.db2.gz LZEDFWFYRIPMLU-GOSISDBHSA-N 2 2 338.455 1.832 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000420370075 446548189 /nfs/dbraw/zinc/54/81/89/446548189.db2.gz CEKARCPNYWXISE-KGLIPLIRSA-N 2 2 339.867 1.752 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000420370075 446548195 /nfs/dbraw/zinc/54/81/95/446548195.db2.gz CEKARCPNYWXISE-KGLIPLIRSA-N 2 2 339.867 1.752 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420371906 446551078 /nfs/dbraw/zinc/55/10/78/446551078.db2.gz DREFRYZOGDVSKP-KKUMJFAQSA-N 2 2 349.475 1.798 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420371906 446551083 /nfs/dbraw/zinc/55/10/83/446551083.db2.gz DREFRYZOGDVSKP-KKUMJFAQSA-N 2 2 349.475 1.798 20 0 EDADLP C[C@H]([NH3+])CN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420376383 446553498 /nfs/dbraw/zinc/55/34/98/446553498.db2.gz QTCCNJFRRVEOJC-FUHWJXTLSA-N 2 2 330.476 1.142 20 0 EDADLP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccnn2CC2CCCCC2)CC1 ZINC000420400691 446573452 /nfs/dbraw/zinc/57/34/52/446573452.db2.gz FGQVKFZWNMBERG-UHFFFAOYSA-N 2 2 349.479 1.188 20 0 EDADLP COc1cc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)ccc1S(C)(=O)=O ZINC000423561786 446575395 /nfs/dbraw/zinc/57/53/95/446575395.db2.gz QCFSYVCDIBTRLI-OCCSQVGLSA-N 2 2 326.462 1.891 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000418521719 446579863 /nfs/dbraw/zinc/57/98/63/446579863.db2.gz IXDSHEKPANIVNG-HNNXBMFYSA-N 2 2 336.867 1.777 20 0 EDADLP C[C@@H](C[NH3+])N(C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000433512812 446584286 /nfs/dbraw/zinc/58/42/86/446584286.db2.gz XURJSPSMYCYUAT-AWEZNQCLSA-N 2 2 338.883 1.263 20 0 EDADLP C[N@@H+]1CCO[C@H]([C@@H](NC[C@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC000423579959 446586224 /nfs/dbraw/zinc/58/62/24/446586224.db2.gz XGHMVNNIQULNBQ-IKGGRYGDSA-N 2 2 339.867 1.290 20 0 EDADLP C[N@H+]1CCO[C@H]([C@@H](NC[C@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC000423579959 446586229 /nfs/dbraw/zinc/58/62/29/446586229.db2.gz XGHMVNNIQULNBQ-IKGGRYGDSA-N 2 2 339.867 1.290 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411554124 446600164 /nfs/dbraw/zinc/60/01/64/446600164.db2.gz STKSNQXBMNNBLS-QLFBSQMISA-N 2 2 349.527 2.071 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418673456 446644553 /nfs/dbraw/zinc/64/45/53/446644553.db2.gz OWFLGZLKAFQZAO-VZEFYGNVSA-N 2 2 348.878 1.946 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)s1 ZINC000418675650 446645644 /nfs/dbraw/zinc/64/56/44/446645644.db2.gz RROPQAIDIIBNAM-ZSHCYNCHSA-N 2 2 334.489 1.356 20 0 EDADLP CCCCS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420472590 446648373 /nfs/dbraw/zinc/64/83/73/446648373.db2.gz SPLLPFNPUHOXOL-UHFFFAOYSA-N 2 2 339.505 1.699 20 0 EDADLP CC(C)(O)C[N@@H+]1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000368115206 446649502 /nfs/dbraw/zinc/64/95/02/446649502.db2.gz MKLMQHXPFPCXFY-UHFFFAOYSA-N 2 2 331.420 1.645 20 0 EDADLP CC(C)(O)C[N@H+]1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000368115206 446649503 /nfs/dbraw/zinc/64/95/03/446649503.db2.gz MKLMQHXPFPCXFY-UHFFFAOYSA-N 2 2 331.420 1.645 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000423701413 446649743 /nfs/dbraw/zinc/64/97/43/446649743.db2.gz VRQIJUCLSKYPLH-OAHLLOKOSA-N 2 2 348.397 1.835 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000368156034 446673747 /nfs/dbraw/zinc/67/37/47/446673747.db2.gz SXGYMKXKXUTHJR-QGZVFWFLSA-N 2 2 338.496 1.271 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000368156034 446673750 /nfs/dbraw/zinc/67/37/50/446673750.db2.gz SXGYMKXKXUTHJR-QGZVFWFLSA-N 2 2 338.496 1.271 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375180759 446628144 /nfs/dbraw/zinc/62/81/44/446628144.db2.gz MZANUWBHJSGVPU-UHFFFAOYSA-N 2 2 335.452 1.129 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375180759 446628150 /nfs/dbraw/zinc/62/81/50/446628150.db2.gz MZANUWBHJSGVPU-UHFFFAOYSA-N 2 2 335.452 1.129 20 0 EDADLP COC(=O)c1coc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000368187229 446693590 /nfs/dbraw/zinc/69/35/90/446693590.db2.gz DTBWZWXNHGOOHC-SUMWQHHRSA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1coc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000368187229 446693593 /nfs/dbraw/zinc/69/35/93/446693593.db2.gz DTBWZWXNHGOOHC-SUMWQHHRSA-N 2 2 346.431 1.972 20 0 EDADLP COC1(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC[NH2+]CC1 ZINC000423810898 446700536 /nfs/dbraw/zinc/70/05/36/446700536.db2.gz AKWUKIJGVYDZSF-CQSZACIVSA-N 2 2 337.489 1.722 20 0 EDADLP CC(C)(C)c1ncc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000375311731 446711314 /nfs/dbraw/zinc/71/13/14/446711314.db2.gz WOFFQUZLPGOXGP-QGZVFWFLSA-N 2 2 347.507 1.270 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423826123 446715855 /nfs/dbraw/zinc/71/58/55/446715855.db2.gz MEIFQQKYTSEHPE-GUTXKFCHSA-N 2 2 339.823 1.092 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423826123 446715859 /nfs/dbraw/zinc/71/58/59/446715859.db2.gz MEIFQQKYTSEHPE-GUTXKFCHSA-N 2 2 339.823 1.092 20 0 EDADLP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000423832142 446721031 /nfs/dbraw/zinc/72/10/31/446721031.db2.gz RNYRCIVXUDZHQQ-ZBFHGGJFSA-N 2 2 327.375 1.062 20 0 EDADLP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000423832142 446721035 /nfs/dbraw/zinc/72/10/35/446721035.db2.gz RNYRCIVXUDZHQQ-ZBFHGGJFSA-N 2 2 327.375 1.062 20 0 EDADLP Cc1cccc(CNC(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371295349 446751663 /nfs/dbraw/zinc/75/16/63/446751663.db2.gz QTNIPOBEJDTCGU-IPMKNSEASA-N 2 2 345.487 1.795 20 0 EDADLP Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371295349 446751665 /nfs/dbraw/zinc/75/16/65/446751665.db2.gz QTNIPOBEJDTCGU-IPMKNSEASA-N 2 2 345.487 1.795 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423911322 446760905 /nfs/dbraw/zinc/76/09/05/446760905.db2.gz GXIQDTUHNIKPCA-OBJOEFQTSA-N 2 2 325.453 1.917 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423911322 446760909 /nfs/dbraw/zinc/76/09/09/446760909.db2.gz GXIQDTUHNIKPCA-OBJOEFQTSA-N 2 2 325.453 1.917 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423927051 446776964 /nfs/dbraw/zinc/77/69/64/446776964.db2.gz FOLBVZGWQWUUCJ-YRXWBPOGSA-N 2 2 345.487 1.905 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423927051 446776968 /nfs/dbraw/zinc/77/69/68/446776968.db2.gz FOLBVZGWQWUUCJ-YRXWBPOGSA-N 2 2 345.487 1.905 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423934214 446786093 /nfs/dbraw/zinc/78/60/93/446786093.db2.gz UXGAXRUBXBNOCT-DFEOGRTESA-N 2 2 329.444 1.269 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423934214 446786100 /nfs/dbraw/zinc/78/61/00/446786100.db2.gz UXGAXRUBXBNOCT-DFEOGRTESA-N 2 2 329.444 1.269 20 0 EDADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423934942 446787928 /nfs/dbraw/zinc/78/79/28/446787928.db2.gz XMJMKRCEIMWNNV-BVBHFADKSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423934942 446787933 /nfs/dbraw/zinc/78/79/33/446787933.db2.gz XMJMKRCEIMWNNV-BVBHFADKSA-N 2 2 345.487 1.905 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368368226 446814743 /nfs/dbraw/zinc/81/47/43/446814743.db2.gz AHMJRMKQZKGHBQ-KRWDZBQOSA-N 2 2 338.496 1.367 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368368226 446814750 /nfs/dbraw/zinc/81/47/50/446814750.db2.gz AHMJRMKQZKGHBQ-KRWDZBQOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000371381136 446817747 /nfs/dbraw/zinc/81/77/47/446817747.db2.gz CTIOOMZWUQKMQV-NXHRZFHOSA-N 2 2 333.476 1.851 20 0 EDADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000371381136 446817756 /nfs/dbraw/zinc/81/77/56/446817756.db2.gz CTIOOMZWUQKMQV-NXHRZFHOSA-N 2 2 333.476 1.851 20 0 EDADLP COc1cc(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000371383192 446821582 /nfs/dbraw/zinc/82/15/82/446821582.db2.gz MVHZXZLXOVVVMD-IBGZPJMESA-N 2 2 349.475 1.152 20 0 EDADLP COc1cc(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000371383192 446821585 /nfs/dbraw/zinc/82/15/85/446821585.db2.gz MVHZXZLXOVVVMD-IBGZPJMESA-N 2 2 349.475 1.152 20 0 EDADLP C[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000454242570 446823201 /nfs/dbraw/zinc/82/32/01/446823201.db2.gz GXWGDKPRHBRDPO-MRXNPFEDSA-N 2 2 326.485 1.272 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000371393400 446828828 /nfs/dbraw/zinc/82/88/28/446828828.db2.gz OSLORPMSZIFXSB-UHFFFAOYSA-N 2 2 328.420 1.531 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000423983444 446806096 /nfs/dbraw/zinc/80/60/96/446806096.db2.gz AIURAOMGRNFKKV-YJBOKZPZSA-N 2 2 339.443 1.518 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000423983444 446806102 /nfs/dbraw/zinc/80/61/02/446806102.db2.gz AIURAOMGRNFKKV-YJBOKZPZSA-N 2 2 339.443 1.518 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000419008689 446864233 /nfs/dbraw/zinc/86/42/33/446864233.db2.gz ULKICWSVRISCOH-DOTOQJQBSA-N 2 2 346.475 1.133 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000419008689 446864237 /nfs/dbraw/zinc/86/42/37/446864237.db2.gz ULKICWSVRISCOH-DOTOQJQBSA-N 2 2 346.475 1.133 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC000420920187 446890700 /nfs/dbraw/zinc/89/07/00/446890700.db2.gz JINJYUHLCLSYPE-ZWKOTPCHSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC000420920187 446890706 /nfs/dbraw/zinc/89/07/06/446890706.db2.gz JINJYUHLCLSYPE-ZWKOTPCHSA-N 2 2 347.503 1.406 20 0 EDADLP CN1C(=O)C[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000375578329 446903666 /nfs/dbraw/zinc/90/36/66/446903666.db2.gz OUOUISDMKRNVCH-VQIMIIECSA-N 2 2 327.428 1.342 20 0 EDADLP CN1C(=O)C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000375578329 446903672 /nfs/dbraw/zinc/90/36/72/446903672.db2.gz OUOUISDMKRNVCH-VQIMIIECSA-N 2 2 327.428 1.342 20 0 EDADLP CN1C(=O)C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1=O 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NZUYMVKQABLWBG-QGZVFWFLSA-N 2 2 326.387 1.721 20 0 EDADLP O[C@]1(C(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420974037 446945642 /nfs/dbraw/zinc/94/56/42/446945642.db2.gz NZUYMVKQABLWBG-QGZVFWFLSA-N 2 2 326.387 1.721 20 0 EDADLP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](c3ncc[nH]3)c3cccnc3)C2)CC1 ZINC000375651810 446951550 /nfs/dbraw/zinc/95/15/50/446951550.db2.gz ZOPPJNQFASSAET-FUHWJXTLSA-N 2 2 340.475 1.652 20 0 EDADLP CCn1cc(CC[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000375671647 446965861 /nfs/dbraw/zinc/96/58/61/446965861.db2.gz ISBRAXUYYJALBC-LJQANCHMSA-N 2 2 349.523 1.172 20 0 EDADLP CCn1cc(CC[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000375671647 446965871 /nfs/dbraw/zinc/96/58/71/446965871.db2.gz ISBRAXUYYJALBC-LJQANCHMSA-N 2 2 349.523 1.172 20 0 EDADLP CN(C(=O)[C@@H]1CSCCS1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377165211 446966377 /nfs/dbraw/zinc/96/63/77/446966377.db2.gz NBHNIXBDNFCAJQ-GJZGRUSLSA-N 2 2 343.562 1.462 20 0 EDADLP 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2.396 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000375793316 447053553 /nfs/dbraw/zinc/05/35/53/447053553.db2.gz NGSDALKSNOWYAA-RTBURBONSA-N 2 2 326.444 1.903 20 0 EDADLP Cc1nc(C[NH+](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)CC2)no1 ZINC000372527962 447112065 /nfs/dbraw/zinc/11/20/65/447112065.db2.gz VTOUKRABOVJJTI-OAHLLOKOSA-N 2 2 337.468 1.531 20 0 EDADLP Cc1nc(C[NH+](C)[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)no1 ZINC000372527962 447112070 /nfs/dbraw/zinc/11/20/70/447112070.db2.gz VTOUKRABOVJJTI-OAHLLOKOSA-N 2 2 337.468 1.531 20 0 EDADLP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)no1 ZINC000372527962 447112074 /nfs/dbraw/zinc/11/20/74/447112074.db2.gz VTOUKRABOVJJTI-OAHLLOKOSA-N 2 2 337.468 1.531 20 0 EDADLP Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)CC2)no1 ZINC000372527962 447112080 /nfs/dbraw/zinc/11/20/80/447112080.db2.gz VTOUKRABOVJJTI-OAHLLOKOSA-N 2 2 337.468 1.531 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 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C[C@@H]1C[N@@H+](C2CCN(c3ncnc4c3C[NH+](C)CC4)CC2)CCO1 ZINC000377485538 447156917 /nfs/dbraw/zinc/15/69/17/447156917.db2.gz CBSALQLXZCITGA-CQSZACIVSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@@H]1C[N@H+](C2CCN(c3ncnc4c3C[NH+](C)CC4)CC2)CCO1 ZINC000377485538 447156924 /nfs/dbraw/zinc/15/69/24/447156924.db2.gz CBSALQLXZCITGA-CQSZACIVSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@@H]1C[NH+](C2CCN(c3ncnc4c3C[N@H+](C)CC4)CC2)CCO1 ZINC000377485538 447156933 /nfs/dbraw/zinc/15/69/33/447156933.db2.gz CBSALQLXZCITGA-CQSZACIVSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@@H]1C[NH+](C2CCN(c3ncnc4c3C[N@@H+](C)CC4)CC2)CCO1 ZINC000377485538 447156939 /nfs/dbraw/zinc/15/69/39/447156939.db2.gz CBSALQLXZCITGA-CQSZACIVSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(c3ncnc4c3C[NH+](C)CC4)CC2)CCO1 ZINC000377485536 447157765 /nfs/dbraw/zinc/15/77/65/447157765.db2.gz CBSALQLXZCITGA-AWEZNQCLSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(c3ncnc4c3C[NH+](C)CC4)CC2)CCO1 ZINC000377485536 447157766 /nfs/dbraw/zinc/15/77/66/447157766.db2.gz CBSALQLXZCITGA-AWEZNQCLSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[NH+](C2CCN(c3ncnc4c3C[N@H+](C)CC4)CC2)CCO1 ZINC000377485536 447157768 /nfs/dbraw/zinc/15/77/68/447157768.db2.gz CBSALQLXZCITGA-AWEZNQCLSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[NH+](C2CCN(c3ncnc4c3C[N@@H+](C)CC4)CC2)CCO1 ZINC000377485536 447157770 /nfs/dbraw/zinc/15/77/70/447157770.db2.gz CBSALQLXZCITGA-AWEZNQCLSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C(=O)N1CCCCC1 ZINC000375955051 447171168 /nfs/dbraw/zinc/17/11/68/447171168.db2.gz PYRLCMXEWJGLJI-AWEZNQCLSA-N 2 2 347.463 1.106 20 0 EDADLP CCC[C@@H](C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)[NH+](C)C ZINC000447677363 447286361 /nfs/dbraw/zinc/28/63/61/447286361.db2.gz FUJAKPYJZYKLLV-INIZCTEOSA-N 2 2 332.448 1.199 20 0 EDADLP CCC[C@@H](C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)[NH+](C)C ZINC000447677363 447286363 /nfs/dbraw/zinc/28/63/63/447286363.db2.gz FUJAKPYJZYKLLV-INIZCTEOSA-N 2 2 332.448 1.199 20 0 EDADLP Cc1ccoc1CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000494626943 447451404 /nfs/dbraw/zinc/45/14/04/447451404.db2.gz UGVLOBZFGUDGRW-HNNXBMFYSA-N 2 2 334.464 1.898 20 0 EDADLP Cc1ccoc1CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000494626943 447451411 /nfs/dbraw/zinc/45/14/11/447451411.db2.gz UGVLOBZFGUDGRW-HNNXBMFYSA-N 2 2 334.464 1.898 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H]2CCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000426485276 447454465 /nfs/dbraw/zinc/45/44/65/447454465.db2.gz IMIFLMLWQROTNE-IRXDYDNUSA-N 2 2 328.460 1.995 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H]2CCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000426485276 447454471 /nfs/dbraw/zinc/45/44/71/447454471.db2.gz IMIFLMLWQROTNE-IRXDYDNUSA-N 2 2 328.460 1.995 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457120680 447525833 /nfs/dbraw/zinc/52/58/33/447525833.db2.gz LKABWAFJRWYKOE-AWEZNQCLSA-N 2 2 330.432 1.124 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457120680 447525836 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CC[N@H+](CCNC(=O)[C@@H]1COCC[NH+]1CC)CCC(F)(F)F ZINC000427253971 447568994 /nfs/dbraw/zinc/56/89/94/447568994.db2.gz UZPRJYSKMVNNCK-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@@H]1COCC[NH+]1CC)CCC(F)(F)F ZINC000427253971 447569001 /nfs/dbraw/zinc/56/90/01/447569001.db2.gz UZPRJYSKMVNNCK-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP CC[NH+](CCNC(=O)[C@@H]1COCC[N@@H+]1CC)CCC(F)(F)F ZINC000427253971 447569007 /nfs/dbraw/zinc/56/90/07/447569007.db2.gz UZPRJYSKMVNNCK-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP CC[NH+](CCNC(=O)[C@@H]1COCC[N@H+]1CC)CCC(F)(F)F ZINC000427253971 447569013 /nfs/dbraw/zinc/56/90/13/447569013.db2.gz UZPRJYSKMVNNCK-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP CC[C@H](C)[NH+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000450865585 447598520 /nfs/dbraw/zinc/59/85/20/447598520.db2.gz XBAVJLQWHLSBFC-LBPRGKRZSA-N 2 2 345.447 2.150 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000450865583 447598739 /nfs/dbraw/zinc/59/87/39/447598739.db2.gz XBAVJLQWHLSBFC-GFCCVEGCSA-N 2 2 345.447 2.150 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2COCC2(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459213474 447614886 /nfs/dbraw/zinc/61/48/86/447614886.db2.gz YFEBKEJETDMGFH-ZBFHGGJFSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2COCC2(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459213474 447614888 /nfs/dbraw/zinc/61/48/88/447614888.db2.gz YFEBKEJETDMGFH-ZBFHGGJFSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416886272 447701939 /nfs/dbraw/zinc/70/19/39/447701939.db2.gz GUHFYNNLEFDSDA-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc(C)[nH+]1 ZINC000422585001 447655862 /nfs/dbraw/zinc/65/58/62/447655862.db2.gz BFTIANOOKBUIDC-INIZCTEOSA-N 2 2 346.475 1.409 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc(C)[nH+]1 ZINC000422585001 447655865 /nfs/dbraw/zinc/65/58/65/447655865.db2.gz BFTIANOOKBUIDC-INIZCTEOSA-N 2 2 346.475 1.409 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422587531 447656807 /nfs/dbraw/zinc/65/68/07/447656807.db2.gz IKRVPZRQWLPBOT-UHFFFAOYSA-N 2 2 343.431 1.368 20 0 EDADLP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1CC[NH2+][C@@H](C)C1)OCO3 ZINC000420184248 447659137 /nfs/dbraw/zinc/65/91/37/447659137.db2.gz AQDWHRDIDCPQJW-NSHDSACASA-N 2 2 343.383 1.938 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422591341 447659754 /nfs/dbraw/zinc/65/97/54/447659754.db2.gz QUHHUULILQCAOQ-MRXNPFEDSA-N 2 2 346.475 1.505 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422591341 447659760 /nfs/dbraw/zinc/65/97/60/447659760.db2.gz QUHHUULILQCAOQ-MRXNPFEDSA-N 2 2 346.475 1.505 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000428107150 447674134 /nfs/dbraw/zinc/67/41/34/447674134.db2.gz KGBWIKMLGVDPGI-CZUORRHYSA-N 2 2 330.436 2.452 20 0 EDADLP C[NH2+]CCC1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000420223610 447677961 /nfs/dbraw/zinc/67/79/61/447677961.db2.gz BFODRWBRIOQTIX-INIZCTEOSA-N 2 2 333.480 1.511 20 0 EDADLP C[NH2+]CCC1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000420223610 447677965 /nfs/dbraw/zinc/67/79/65/447677965.db2.gz BFODRWBRIOQTIX-INIZCTEOSA-N 2 2 333.480 1.511 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@@H]3CCC[N@@H+]3CCCO)[nH+]c2c1 ZINC000457952296 447683573 /nfs/dbraw/zinc/68/35/73/447683573.db2.gz QNRFRFKZXFIIPV-INIZCTEOSA-N 2 2 345.447 1.289 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@@H]3CCC[N@H+]3CCCO)[nH+]c2c1 ZINC000457952296 447683579 /nfs/dbraw/zinc/68/35/79/447683579.db2.gz QNRFRFKZXFIIPV-INIZCTEOSA-N 2 2 345.447 1.289 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422640396 447684117 /nfs/dbraw/zinc/68/41/17/447684117.db2.gz VKHYFHAEQOPYFZ-GUTXKFCHSA-N 2 2 333.432 1.717 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422640396 447684122 /nfs/dbraw/zinc/68/41/22/447684122.db2.gz VKHYFHAEQOPYFZ-GUTXKFCHSA-N 2 2 333.432 1.717 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416922382 447710549 /nfs/dbraw/zinc/71/05/49/447710549.db2.gz VKHSJMBXBWGSEL-CQDKDKBSSA-N 2 2 331.395 1.780 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1F ZINC000416925615 447710854 /nfs/dbraw/zinc/71/08/54/447710854.db2.gz YKOKULDWNXLQMH-GJZGRUSLSA-N 2 2 331.395 1.685 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC[NH2+]1 ZINC000416923471 447710874 /nfs/dbraw/zinc/71/08/74/447710874.db2.gz QHJVHBOWLFILPF-WFASDCNBSA-N 2 2 331.395 1.652 20 0 EDADLP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422714773 447725609 /nfs/dbraw/zinc/72/56/09/447725609.db2.gz LLENYQXEUATVBK-VQTJNVASSA-N 3 2 347.503 1.874 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416957387 447726019 /nfs/dbraw/zinc/72/60/19/447726019.db2.gz NXJFPQKTGNOWSP-INIZCTEOSA-N 2 2 329.448 1.756 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459634577 447727329 /nfs/dbraw/zinc/72/73/29/447727329.db2.gz OIZNWHUBEPCKFR-UGSOOPFHSA-N 2 2 344.415 1.223 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459634577 447727333 /nfs/dbraw/zinc/72/73/33/447727333.db2.gz OIZNWHUBEPCKFR-UGSOOPFHSA-N 2 2 344.415 1.223 20 0 EDADLP O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422736689 447732731 /nfs/dbraw/zinc/73/27/31/447732731.db2.gz YPHCQYOPQLCUBM-GOSISDBHSA-N 2 2 346.475 1.178 20 0 EDADLP O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422736689 447732734 /nfs/dbraw/zinc/73/27/34/447732734.db2.gz YPHCQYOPQLCUBM-GOSISDBHSA-N 2 2 346.475 1.178 20 0 EDADLP c1cnn(Cc2cccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)c2)c1 ZINC000422736357 447733409 /nfs/dbraw/zinc/73/34/09/447733409.db2.gz XVULCVPXMSSQPL-RBUKOAKNSA-N 2 2 326.444 1.788 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422741814 447735308 /nfs/dbraw/zinc/73/53/08/447735308.db2.gz PCILKOWONVVCTA-WMLDXEAASA-N 2 2 339.505 1.602 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422757508 447741508 /nfs/dbraw/zinc/74/15/08/447741508.db2.gz DFEYLYVKVWLAFI-HIFRSBDPSA-N 2 2 325.478 1.730 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000422802671 447754549 /nfs/dbraw/zinc/75/45/49/447754549.db2.gz HTZKPLPXOJEULP-FGTMMUONSA-N 2 2 331.460 1.707 20 0 EDADLP c1cn(Cc2cccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)c2)c[nH+]1 ZINC000422824618 447760875 /nfs/dbraw/zinc/76/08/75/447760875.db2.gz HOTYPKIVRUVSFB-RTBURBONSA-N 3 2 326.444 1.788 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCNc2cnccn2)[C@H]2CCC[NH2+]2)cc1 ZINC000422889701 447770832 /nfs/dbraw/zinc/77/08/32/447770832.db2.gz QFPHYKODRKOMTR-SJLPKXTDSA-N 2 2 327.432 1.980 20 0 EDADLP COc1ccc(-n2ccc(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)n2)cc1 ZINC000422935897 447776159 /nfs/dbraw/zinc/77/61/59/447776159.db2.gz AZXLCGHEEUIELH-GDBMZVCRSA-N 2 2 330.432 1.738 20 0 EDADLP CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)C[NH3+] ZINC000430562405 447779787 /nfs/dbraw/zinc/77/97/87/447779787.db2.gz DLRWLLOXFGMRJW-UHFFFAOYSA-N 2 2 348.491 1.374 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)C[NH3+] ZINC000430562405 447779788 /nfs/dbraw/zinc/77/97/88/447779788.db2.gz DLRWLLOXFGMRJW-UHFFFAOYSA-N 3 2 348.491 1.374 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)C[NH3+] ZINC000430562405 447779790 /nfs/dbraw/zinc/77/97/90/447779790.db2.gz DLRWLLOXFGMRJW-UHFFFAOYSA-N 3 2 348.491 1.374 20 0 EDADLP C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)CC(C)(C)C[NH3+] ZINC000430566458 447780390 /nfs/dbraw/zinc/78/03/90/447780390.db2.gz CLHAOQOHTJTLEG-UHFFFAOYSA-N 2 2 329.466 1.481 20 0 EDADLP C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)CC(C)(C)C[NH3+] ZINC000430566458 447780393 /nfs/dbraw/zinc/78/03/93/447780393.db2.gz CLHAOQOHTJTLEG-UHFFFAOYSA-N 2 2 329.466 1.481 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)CC2)c1 ZINC000430565610 447780602 /nfs/dbraw/zinc/78/06/02/447780602.db2.gz ALZXTUVONFJYBJ-HXUWFJFHSA-N 3 2 346.519 1.602 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565283 447781088 /nfs/dbraw/zinc/78/10/88/447781088.db2.gz FEZSTFZUGGRZFR-HKUYNNGSSA-N 3 2 344.503 1.390 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565283 447781091 /nfs/dbraw/zinc/78/10/91/447781091.db2.gz FEZSTFZUGGRZFR-HKUYNNGSSA-N 3 2 344.503 1.390 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)CC(C)(C)C[NH3+] ZINC000430592400 447781478 /nfs/dbraw/zinc/78/14/78/447781478.db2.gz HAURPOVIVUOFIO-UHFFFAOYSA-N 2 2 333.480 1.927 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)CC(C)(C)C[NH3+] ZINC000430592400 447781479 /nfs/dbraw/zinc/78/14/79/447781479.db2.gz HAURPOVIVUOFIO-UHFFFAOYSA-N 2 2 333.480 1.927 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430929316 447788236 /nfs/dbraw/zinc/78/82/36/447788236.db2.gz OTAIFKWQHMBFQE-YDHLFZDLSA-N 2 2 335.448 1.378 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430929316 447788239 /nfs/dbraw/zinc/78/82/39/447788239.db2.gz OTAIFKWQHMBFQE-YDHLFZDLSA-N 2 2 335.448 1.378 20 0 EDADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423034135 447795639 /nfs/dbraw/zinc/79/56/39/447795639.db2.gz XIIHQWSWIALNTF-SZMVWBNQSA-N 3 2 332.492 1.006 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460135154 447796867 /nfs/dbraw/zinc/79/68/67/447796867.db2.gz BZOFBLZEHGNEFN-YESZJQIVSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460135154 447796871 /nfs/dbraw/zinc/79/68/71/447796871.db2.gz BZOFBLZEHGNEFN-YESZJQIVSA-N 2 2 336.480 1.119 20 0 EDADLP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423086103 447802099 /nfs/dbraw/zinc/80/20/99/447802099.db2.gz MJSUSWYGDMLMJO-YZGWKJHDSA-N 3 2 329.488 1.865 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423086103 447802102 /nfs/dbraw/zinc/80/21/02/447802102.db2.gz MJSUSWYGDMLMJO-YZGWKJHDSA-N 3 2 329.488 1.865 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522829892 447858083 /nfs/dbraw/zinc/85/80/83/447858083.db2.gz QLJBHRLIZJMACO-AEFFLSMTSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522829892 447858089 /nfs/dbraw/zinc/85/80/89/447858089.db2.gz QLJBHRLIZJMACO-AEFFLSMTSA-N 2 2 346.475 1.131 20 0 EDADLP Cc1nc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC000487251230 447828437 /nfs/dbraw/zinc/82/84/37/447828437.db2.gz GAEMXRVYMOMABD-IMJJTQAJSA-N 2 2 349.479 1.389 20 0 EDADLP Cc1nc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC000487251230 447828439 /nfs/dbraw/zinc/82/84/39/447828439.db2.gz GAEMXRVYMOMABD-IMJJTQAJSA-N 2 2 349.479 1.389 20 0 EDADLP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)no1 ZINC000487251230 447828441 /nfs/dbraw/zinc/82/84/41/447828441.db2.gz GAEMXRVYMOMABD-IMJJTQAJSA-N 2 2 349.479 1.389 20 0 EDADLP Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)no1 ZINC000487251230 447828442 /nfs/dbraw/zinc/82/84/42/447828442.db2.gz GAEMXRVYMOMABD-IMJJTQAJSA-N 2 2 349.479 1.389 20 0 EDADLP Cc1cccn2cc(CC(=O)NCCCC[NH+]3CCOCC3)[nH+]c12 ZINC000523702693 447902885 /nfs/dbraw/zinc/90/28/85/447902885.db2.gz IPYBSGGKAFWDLH-UHFFFAOYSA-N 2 2 330.432 1.414 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH+]1 ZINC000552020388 447927248 /nfs/dbraw/zinc/92/72/48/447927248.db2.gz UBFYBYIKHKMBQH-QGZVFWFLSA-N 2 2 339.443 2.038 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c[nH+]1 ZINC000552020388 447927250 /nfs/dbraw/zinc/92/72/50/447927250.db2.gz UBFYBYIKHKMBQH-QGZVFWFLSA-N 2 2 339.443 2.038 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000497186899 447937430 /nfs/dbraw/zinc/93/74/30/447937430.db2.gz MCENTRHQUDXKNA-GJZGRUSLSA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000497186899 447937437 /nfs/dbraw/zinc/93/74/37/447937437.db2.gz MCENTRHQUDXKNA-GJZGRUSLSA-N 2 2 327.469 1.432 20 0 EDADLP C[C@@H]1CCC[C@@H](OCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000530893733 447980012 /nfs/dbraw/zinc/98/00/12/447980012.db2.gz OXZLABXVYPZUEN-NVXWUHKLSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1cnn([C@@H]2CC[N@H+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)c1 ZINC000496863942 447981501 /nfs/dbraw/zinc/98/15/01/447981501.db2.gz MXQSNXCHHYFDCW-AEFFLSMTSA-N 2 2 345.447 1.312 20 0 EDADLP Cc1cnn([C@@H]2CC[N@@H+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)c1 ZINC000496863942 447981506 /nfs/dbraw/zinc/98/15/06/447981506.db2.gz MXQSNXCHHYFDCW-AEFFLSMTSA-N 2 2 345.447 1.312 20 0 EDADLP Cc1cnn([C@H]2CC[N@H+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)c1 ZINC000496863946 447981695 /nfs/dbraw/zinc/98/16/95/447981695.db2.gz MXQSNXCHHYFDCW-WMZOPIPTSA-N 2 2 345.447 1.312 20 0 EDADLP Cc1cnn([C@H]2CC[N@@H+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)c1 ZINC000496863946 447981701 /nfs/dbraw/zinc/98/17/01/447981701.db2.gz MXQSNXCHHYFDCW-WMZOPIPTSA-N 2 2 345.447 1.312 20 0 EDADLP CC1(C)C[NH+](CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000570462974 448020247 /nfs/dbraw/zinc/02/02/47/448020247.db2.gz ZRQFJNMMIDPPRF-ROUUACIJSA-N 2 2 345.487 1.327 20 0 EDADLP CC1(C)C[NH+](CC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000570462974 448020250 /nfs/dbraw/zinc/02/02/50/448020250.db2.gz ZRQFJNMMIDPPRF-ROUUACIJSA-N 2 2 345.487 1.327 20 0 EDADLP C[N@@H+]1CCN(Cc2ccc(OCc3ccncc3)cc2)[C@H](C[NH3+])C1 ZINC000570632290 448039321 /nfs/dbraw/zinc/03/93/21/448039321.db2.gz IVZSPKRGTGALSW-GOSISDBHSA-N 2 2 326.444 1.735 20 0 EDADLP C[N@H+]1CCN(Cc2ccc(OCc3ccncc3)cc2)[C@H](C[NH3+])C1 ZINC000570632290 448039329 /nfs/dbraw/zinc/03/93/29/448039329.db2.gz IVZSPKRGTGALSW-GOSISDBHSA-N 2 2 326.444 1.735 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000576507467 448069600 /nfs/dbraw/zinc/06/96/00/448069600.db2.gz ZIDRTHLMIJUNQP-WMLDXEAASA-N 2 2 337.489 1.559 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000576566172 448083708 /nfs/dbraw/zinc/08/37/08/448083708.db2.gz HNCYDIHEBVSMFR-DZKIICNBSA-N 2 2 332.448 1.861 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000570965996 448087840 /nfs/dbraw/zinc/08/78/40/448087840.db2.gz QATLUNGBZRRJMH-SJORKVTESA-N 2 2 340.439 1.140 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000570965996 448087847 /nfs/dbraw/zinc/08/78/47/448087847.db2.gz QATLUNGBZRRJMH-SJORKVTESA-N 2 2 340.439 1.140 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)ccc2n1C ZINC000576845192 448154522 /nfs/dbraw/zinc/15/45/22/448154522.db2.gz WQCREEWOZSERNV-TZMCWYRMSA-N 2 2 341.415 1.031 20 0 EDADLP CNC(=O)[C@H](C[NH2+]Cc1c[nH+]c(C)n1C)Cc1ccc(F)cc1C ZINC000571537628 448170720 /nfs/dbraw/zinc/17/07/20/448170720.db2.gz LEODRQZKXXSJPU-HNNXBMFYSA-N 2 2 332.423 1.871 20 0 EDADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1(CO)CCCC1 ZINC000571643879 448185851 /nfs/dbraw/zinc/18/58/51/448185851.db2.gz YSNRGQUMEHLDQT-XMTFNYHQSA-N 2 2 342.524 1.623 20 0 EDADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1(CO)CCCC1 ZINC000571643879 448185858 /nfs/dbraw/zinc/18/58/58/448185858.db2.gz YSNRGQUMEHLDQT-XMTFNYHQSA-N 2 2 342.524 1.623 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000582405297 448226559 /nfs/dbraw/zinc/22/65/59/448226559.db2.gz BARYQVVONRELQK-MAUKXSAKSA-N 2 2 341.459 1.925 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000582405297 448226561 /nfs/dbraw/zinc/22/65/61/448226561.db2.gz BARYQVVONRELQK-MAUKXSAKSA-N 2 2 341.459 1.925 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNc2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000582467530 448244674 /nfs/dbraw/zinc/24/46/74/448244674.db2.gz IBSVEZNLEMJUID-CYBMUJFWSA-N 2 2 344.459 2.140 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNc2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000582467530 448244679 /nfs/dbraw/zinc/24/46/79/448244679.db2.gz IBSVEZNLEMJUID-CYBMUJFWSA-N 2 2 344.459 2.140 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000591106628 448263592 /nfs/dbraw/zinc/26/35/92/448263592.db2.gz OIBYPOVVXCSGMA-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577508907 448317838 /nfs/dbraw/zinc/31/78/38/448317838.db2.gz NCIQKJLYNVDGLR-LERXQTSPSA-N 2 2 338.249 1.754 20 0 EDADLP C[C@H](c1cccc(Br)c1)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577508907 448317839 /nfs/dbraw/zinc/31/78/39/448317839.db2.gz NCIQKJLYNVDGLR-LERXQTSPSA-N 2 2 338.249 1.754 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000577400125 448288449 /nfs/dbraw/zinc/28/84/49/448288449.db2.gz NMKNCSOONKNWBE-MAUKXSAKSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000577400125 448288452 /nfs/dbraw/zinc/28/84/52/448288452.db2.gz NMKNCSOONKNWBE-MAUKXSAKSA-N 2 2 337.508 1.819 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000572290384 448337928 /nfs/dbraw/zinc/33/79/28/448337928.db2.gz PYKMTTMHIYRJKJ-WMZOPIPTSA-N 2 2 345.491 1.074 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000572290384 448337931 /nfs/dbraw/zinc/33/79/31/448337931.db2.gz PYKMTTMHIYRJKJ-WMZOPIPTSA-N 2 2 345.491 1.074 20 0 EDADLP C[C@H](CC(=O)NCc1cccnc1N1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000577616537 448342516 /nfs/dbraw/zinc/34/25/16/448342516.db2.gz ZCZREVXZEKPGTH-OAHLLOKOSA-N 2 2 342.447 1.297 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000515810949 448352484 /nfs/dbraw/zinc/35/24/84/448352484.db2.gz KPXLMAPCFOWIEU-ZBFHGGJFSA-N 2 2 347.463 1.097 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n[nH]1 ZINC000515856408 448360400 /nfs/dbraw/zinc/36/04/00/448360400.db2.gz SXEOTIMYFJIOEL-IUODEOHRSA-N 2 2 342.447 1.696 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n[nH]1 ZINC000515856408 448360406 /nfs/dbraw/zinc/36/04/06/448360406.db2.gz SXEOTIMYFJIOEL-IUODEOHRSA-N 2 2 342.447 1.696 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000582883434 448366350 /nfs/dbraw/zinc/36/63/50/448366350.db2.gz BLVPMJNXSBDIEL-HNNXBMFYSA-N 2 2 325.478 1.209 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000582883434 448366351 /nfs/dbraw/zinc/36/63/51/448366351.db2.gz BLVPMJNXSBDIEL-HNNXBMFYSA-N 2 2 325.478 1.209 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000582883434 448366353 /nfs/dbraw/zinc/36/63/53/448366353.db2.gz BLVPMJNXSBDIEL-HNNXBMFYSA-N 2 2 325.478 1.209 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000582883434 448366357 /nfs/dbraw/zinc/36/63/57/448366357.db2.gz BLVPMJNXSBDIEL-HNNXBMFYSA-N 2 2 325.478 1.209 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1)c1ccccc1 ZINC000572480319 448389327 /nfs/dbraw/zinc/38/93/27/448389327.db2.gz GRIQONDFYDZGGU-RBUKOAKNSA-N 2 2 345.487 1.906 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCOC[C@@H]1C1CCC1)c1ccccc1 ZINC000572480319 448389332 /nfs/dbraw/zinc/38/93/32/448389332.db2.gz GRIQONDFYDZGGU-RBUKOAKNSA-N 2 2 345.487 1.906 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000516185077 448394596 /nfs/dbraw/zinc/39/45/96/448394596.db2.gz QEXJDNGZXFLJOW-PKOBYXMFSA-N 2 2 333.476 1.820 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000516185077 448394599 /nfs/dbraw/zinc/39/45/99/448394599.db2.gz QEXJDNGZXFLJOW-PKOBYXMFSA-N 2 2 333.476 1.820 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000577939651 448420426 /nfs/dbraw/zinc/42/04/26/448420426.db2.gz DIAYESSZIVXBQX-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000577939651 448420431 /nfs/dbraw/zinc/42/04/31/448420431.db2.gz DIAYESSZIVXBQX-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1[nH+]ccc2cc(F)ccc21 ZINC000528132407 448440490 /nfs/dbraw/zinc/44/04/90/448440490.db2.gz RIXVDISXEVSIAJ-LJQANCHMSA-N 2 2 345.418 2.402 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1[nH+]ccc2cc(F)ccc21 ZINC000528132407 448440495 /nfs/dbraw/zinc/44/04/95/448440495.db2.gz RIXVDISXEVSIAJ-LJQANCHMSA-N 2 2 345.418 2.402 20 0 EDADLP Cc1cc(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)c(C)c[nH+]1 ZINC000534324022 448446878 /nfs/dbraw/zinc/44/68/78/448446878.db2.gz LDOWZCAGSKIQER-UHFFFAOYSA-N 2 2 343.431 1.777 20 0 EDADLP CSc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000516631440 448451846 /nfs/dbraw/zinc/45/18/46/448451846.db2.gz MSFFCVGWPWKNDR-HNNXBMFYSA-N 2 2 340.489 1.460 20 0 EDADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)n1 ZINC000572842654 448478411 /nfs/dbraw/zinc/47/84/11/448478411.db2.gz QLLDYIFLEQRIQW-NSHDSACASA-N 2 2 331.424 1.639 20 0 EDADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)n1 ZINC000572842654 448478417 /nfs/dbraw/zinc/47/84/17/448478417.db2.gz QLLDYIFLEQRIQW-NSHDSACASA-N 2 2 331.424 1.639 20 0 EDADLP C[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+]1CC(C)C1 ZINC000584359398 448498257 /nfs/dbraw/zinc/49/82/57/448498257.db2.gz BDQKXDWJTTWJSE-CYBMUJFWSA-N 2 2 346.431 1.435 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869115 448516107 /nfs/dbraw/zinc/51/61/07/448516107.db2.gz KJWXRZJBBALWGP-SFHVURJKSA-N 2 2 342.443 1.983 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869115 448516109 /nfs/dbraw/zinc/51/61/09/448516109.db2.gz KJWXRZJBBALWGP-SFHVURJKSA-N 2 2 342.443 1.983 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000572993282 448516274 /nfs/dbraw/zinc/51/62/74/448516274.db2.gz WHEGCPSMANBSCM-RVKKMQEKSA-N 2 2 334.460 1.224 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000572993282 448516280 /nfs/dbraw/zinc/51/62/80/448516280.db2.gz WHEGCPSMANBSCM-RVKKMQEKSA-N 2 2 334.460 1.224 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000517326935 448572135 /nfs/dbraw/zinc/57/21/35/448572135.db2.gz YHTZXWURJUJUHE-CHWSQXEVSA-N 2 2 342.281 1.931 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000517326935 448572139 /nfs/dbraw/zinc/57/21/39/448572139.db2.gz YHTZXWURJUJUHE-CHWSQXEVSA-N 2 2 342.281 1.931 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000566687709 448540110 /nfs/dbraw/zinc/54/01/10/448540110.db2.gz OZAJVDDPHFXUEW-MRXNPFEDSA-N 3 2 328.460 1.669 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000566687709 448540116 /nfs/dbraw/zinc/54/01/16/448540116.db2.gz OZAJVDDPHFXUEW-MRXNPFEDSA-N 3 2 328.460 1.669 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(=O)OC(C)(C)C)cn2)CC1 ZINC000591922820 448583418 /nfs/dbraw/zinc/58/34/18/448583418.db2.gz ZUAUHLAUTSYHQV-UHFFFAOYSA-N 2 2 348.491 2.475 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000573316978 448595789 /nfs/dbraw/zinc/59/57/89/448595789.db2.gz SJPNCRNJBYRPSA-XWSJACJDSA-N 3 2 341.540 1.558 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000573316978 448595790 /nfs/dbraw/zinc/59/57/90/448595790.db2.gz SJPNCRNJBYRPSA-XWSJACJDSA-N 3 2 341.540 1.558 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000518635522 448696031 /nfs/dbraw/zinc/69/60/31/448696031.db2.gz OZDZBBPXZGCERE-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000518635522 448696036 /nfs/dbraw/zinc/69/60/36/448696036.db2.gz OZDZBBPXZGCERE-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000573799410 448716116 /nfs/dbraw/zinc/71/61/16/448716116.db2.gz OMEPEFUJQCCOFV-UHFFFAOYSA-N 2 2 339.443 1.881 20 0 EDADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1ccsc1 ZINC000542766138 448719512 /nfs/dbraw/zinc/71/95/12/448719512.db2.gz GRHKMTCTNOUKOF-AWEZNQCLSA-N 2 2 333.461 2.090 20 0 EDADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000567624016 448726693 /nfs/dbraw/zinc/72/66/93/448726693.db2.gz BSKLETUGMSBNIS-MRXNPFEDSA-N 2 2 325.884 1.770 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000567624016 448726697 /nfs/dbraw/zinc/72/66/97/448726697.db2.gz BSKLETUGMSBNIS-MRXNPFEDSA-N 2 2 325.884 1.770 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)OCC(=O)N2 ZINC000579197639 448734687 /nfs/dbraw/zinc/73/46/87/448734687.db2.gz IOJVLOMVNGWGTK-UKRRQHHQSA-N 2 2 333.432 1.515 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)OCC(=O)N2 ZINC000579197639 448734692 /nfs/dbraw/zinc/73/46/92/448734692.db2.gz IOJVLOMVNGWGTK-UKRRQHHQSA-N 2 2 333.432 1.515 20 0 EDADLP C[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+](C)CC1 ZINC000586750867 448797105 /nfs/dbraw/zinc/79/71/05/448797105.db2.gz SRGXMWMFDRCUGF-MRXNPFEDSA-N 2 2 341.459 1.184 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000519609584 448800088 /nfs/dbraw/zinc/80/00/88/448800088.db2.gz KWLDMOIPTTWSPM-ARFHVFGLSA-N 2 2 347.459 1.487 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000519609584 448800093 /nfs/dbraw/zinc/80/00/93/448800093.db2.gz KWLDMOIPTTWSPM-ARFHVFGLSA-N 2 2 347.459 1.487 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[NH2+]C[C@@H]3C(C)C)[nH+]c12 ZINC000529314737 448818740 /nfs/dbraw/zinc/81/87/40/448818740.db2.gz SQBCCUNPUSFPTF-MRXNPFEDSA-N 2 2 329.448 1.825 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000568166851 448828449 /nfs/dbraw/zinc/82/84/49/448828449.db2.gz VPRQBCOHVBBICJ-JSGCOSHPSA-N 2 2 326.437 1.676 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000568166851 448828454 /nfs/dbraw/zinc/82/84/54/448828454.db2.gz VPRQBCOHVBBICJ-JSGCOSHPSA-N 2 2 326.437 1.676 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000579609104 448835642 /nfs/dbraw/zinc/83/56/42/448835642.db2.gz NQDJPDNBBJFNDC-CHWSQXEVSA-N 2 2 326.403 1.836 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000579609104 448835646 /nfs/dbraw/zinc/83/56/46/448835646.db2.gz NQDJPDNBBJFNDC-CHWSQXEVSA-N 2 2 326.403 1.836 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000579609104 448835649 /nfs/dbraw/zinc/83/56/49/448835649.db2.gz NQDJPDNBBJFNDC-CHWSQXEVSA-N 2 2 326.403 1.836 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000579609104 448835652 /nfs/dbraw/zinc/83/56/52/448835652.db2.gz NQDJPDNBBJFNDC-CHWSQXEVSA-N 2 2 326.403 1.836 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000529377579 448849191 /nfs/dbraw/zinc/84/91/91/448849191.db2.gz QPXSFSVQIMEZTI-MRXNPFEDSA-N 2 2 335.452 1.073 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000519834752 448856149 /nfs/dbraw/zinc/85/61/49/448856149.db2.gz SQBOIBFGVJGCAM-INIZCTEOSA-N 2 2 348.491 1.939 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000519834752 448856156 /nfs/dbraw/zinc/85/61/56/448856156.db2.gz SQBOIBFGVJGCAM-INIZCTEOSA-N 2 2 348.491 1.939 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000592487994 448858326 /nfs/dbraw/zinc/85/83/26/448858326.db2.gz FFIYNUUPEJAOTO-RDJZCZTQSA-N 2 2 347.459 1.642 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1)c1ccccc1 ZINC000592487994 448858333 /nfs/dbraw/zinc/85/83/33/448858333.db2.gz FFIYNUUPEJAOTO-RDJZCZTQSA-N 2 2 347.459 1.642 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@H]1OCCc2sccc21 ZINC000574385187 448861517 /nfs/dbraw/zinc/86/15/17/448861517.db2.gz QWHDRVGEDQZXKS-SLEUVZQESA-N 2 2 338.477 1.035 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@H]1OCCc2sccc21 ZINC000574385187 448861522 /nfs/dbraw/zinc/86/15/22/448861522.db2.gz QWHDRVGEDQZXKS-SLEUVZQESA-N 2 2 338.477 1.035 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000574393184 448862960 /nfs/dbraw/zinc/86/29/60/448862960.db2.gz MPCCJZXIVOPEBR-OAHLLOKOSA-N 2 2 326.391 1.129 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000574393184 448862963 /nfs/dbraw/zinc/86/29/63/448862963.db2.gz MPCCJZXIVOPEBR-OAHLLOKOSA-N 2 2 326.391 1.129 20 0 EDADLP CSc1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000520423552 448896665 /nfs/dbraw/zinc/89/66/65/448896665.db2.gz FGHCQCOHYKDZIX-AWEZNQCLSA-N 2 2 348.472 1.694 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCN(C4CC4)C3)c2cc1C ZINC000574592180 448911655 /nfs/dbraw/zinc/91/16/55/448911655.db2.gz LLQZSLGDADVOBD-NVXWUHKLSA-N 2 2 328.460 1.840 20 0 EDADLP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000574686518 448932093 /nfs/dbraw/zinc/93/20/93/448932093.db2.gz WHRWBHNVPNSFKA-CGTJXYLNSA-N 2 2 332.444 1.337 20 0 EDADLP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000574686518 448932097 /nfs/dbraw/zinc/93/20/97/448932097.db2.gz WHRWBHNVPNSFKA-CGTJXYLNSA-N 2 2 332.444 1.337 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)CC2(C[NH3+])CC2)c2cccs2)CC1 ZINC000574688904 448932921 /nfs/dbraw/zinc/93/29/21/448932921.db2.gz WWKLIULCJNOEII-CQSZACIVSA-N 2 2 336.505 1.282 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CCS(=O)(=O)c2ccccc2)CC12CCOCC2 ZINC000579834974 448890527 /nfs/dbraw/zinc/89/05/27/448890527.db2.gz OABIHLDOTAMNRL-HNNXBMFYSA-N 2 2 338.473 1.148 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccccc2)CC12CCOCC2 ZINC000579834974 448890533 /nfs/dbraw/zinc/89/05/33/448890533.db2.gz OABIHLDOTAMNRL-HNNXBMFYSA-N 2 2 338.473 1.148 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)CC(C)(C)C ZINC000588902605 448947681 /nfs/dbraw/zinc/94/76/81/448947681.db2.gz WGEPMLFEDTTWSE-UHFFFAOYSA-N 2 2 334.464 1.512 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)CC(C)(C)C ZINC000588902605 448947683 /nfs/dbraw/zinc/94/76/83/448947683.db2.gz WGEPMLFEDTTWSE-UHFFFAOYSA-N 2 2 334.464 1.512 20 0 EDADLP COc1cc(OC)c(OC)cc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000521068433 448952844 /nfs/dbraw/zinc/95/28/44/448952844.db2.gz YSDLZBFETRITIT-UHFFFAOYSA-N 2 2 338.448 1.649 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000521067870 448952957 /nfs/dbraw/zinc/95/29/57/448952957.db2.gz DARWFWXDGICIHU-UHFFFAOYSA-N 2 2 326.462 1.027 20 0 EDADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)C(C)C ZINC000548010651 448965519 /nfs/dbraw/zinc/96/55/19/448965519.db2.gz KOMCUCIZMHNKSN-DNVCBOLYSA-N 2 2 346.475 1.739 20 0 EDADLP CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)C(C)C ZINC000548010651 448965525 /nfs/dbraw/zinc/96/55/25/448965525.db2.gz KOMCUCIZMHNKSN-DNVCBOLYSA-N 2 2 346.475 1.739 20 0 EDADLP CCOc1ccccc1[C@H](CC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569214723 448980370 /nfs/dbraw/zinc/98/03/70/448980370.db2.gz AQZSRXYDGQJCMR-ZBFHGGJFSA-N 2 2 334.464 1.821 20 0 EDADLP CC(C)(C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1c[nH]c[nH+]1 ZINC000548088901 448981442 /nfs/dbraw/zinc/98/14/42/448981442.db2.gz KYEPLJHHPJGHDU-INIZCTEOSA-N 2 2 342.443 1.570 20 0 EDADLP CC(C)(C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1c[nH]c[nH+]1 ZINC000548088901 448981448 /nfs/dbraw/zinc/98/14/48/448981448.db2.gz KYEPLJHHPJGHDU-INIZCTEOSA-N 2 2 342.443 1.570 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000582058227 449000462 /nfs/dbraw/zinc/00/04/62/449000462.db2.gz TYHPEDMWSYKGAZ-FFZOFVMBSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000582058227 449000463 /nfs/dbraw/zinc/00/04/63/449000463.db2.gz TYHPEDMWSYKGAZ-FFZOFVMBSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582058227 449000466 /nfs/dbraw/zinc/00/04/66/449000466.db2.gz TYHPEDMWSYKGAZ-FFZOFVMBSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582058227 449000469 /nfs/dbraw/zinc/00/04/69/449000469.db2.gz TYHPEDMWSYKGAZ-FFZOFVMBSA-N 2 2 347.503 1.321 20 0 EDADLP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000569344682 449006868 /nfs/dbraw/zinc/00/68/68/449006868.db2.gz VVKYIXLXGYPNOC-SFHVURJKSA-N 2 2 329.444 1.197 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000575001127 449012111 /nfs/dbraw/zinc/01/21/11/449012111.db2.gz XXYMLFXTGNTZBB-UHFFFAOYSA-N 3 2 333.480 1.564 20 0 EDADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)ccc1S(C)(=O)=O ZINC000548307605 449017500 /nfs/dbraw/zinc/01/75/00/449017500.db2.gz WBYYSZSOQHAYRX-TZMCWYRMSA-N 2 2 349.456 1.961 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1NCC(C)(C)[NH+]1CCS(=O)CC1 ZINC000521959309 449032100 /nfs/dbraw/zinc/03/21/00/449032100.db2.gz HREMILUVHLOKME-UHFFFAOYSA-N 2 2 338.452 1.967 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1 ZINC000548654058 449071451 /nfs/dbraw/zinc/07/14/51/449071451.db2.gz MGGZAGVRMQOTFU-CVEARBPZSA-N 2 2 345.422 1.939 20 0 EDADLP CCO[C@@H](C)c1noc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000530243745 449092163 /nfs/dbraw/zinc/09/21/63/449092163.db2.gz ZZGDUJSFUYEWRX-ZFWWWQNUSA-N 2 2 338.452 1.758 20 0 EDADLP COC(=O)C12CC(C(=O)Nc3cc(N4CC[NH+](C)CC4)cc[nH+]3)(C1)C2 ZINC000601802420 449162049 /nfs/dbraw/zinc/16/20/49/449162049.db2.gz BNBCWWBTQKLQMS-UHFFFAOYSA-N 2 2 344.415 1.115 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H](C)c1ccc(C)cc1 ZINC000600158972 449219858 /nfs/dbraw/zinc/21/98/58/449219858.db2.gz OTHIQQMKGNNEKX-SFHVURJKSA-N 2 2 347.503 1.821 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H](C)c1ccc(C)cc1 ZINC000600158972 449219863 /nfs/dbraw/zinc/21/98/63/449219863.db2.gz OTHIQQMKGNNEKX-SFHVURJKSA-N 2 2 347.503 1.821 20 0 EDADLP CC[C@@H]1CCCC[C@H]1C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000600159367 449219965 /nfs/dbraw/zinc/21/99/65/449219965.db2.gz SIJZOTQXVXONAQ-MSOLQXFVSA-N 2 2 339.524 1.925 20 0 EDADLP CC[C@@H]1CCCC[C@H]1C[N@@H+](CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000600159367 449219971 /nfs/dbraw/zinc/21/99/71/449219971.db2.gz SIJZOTQXVXONAQ-MSOLQXFVSA-N 2 2 339.524 1.925 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000600153787 449217375 /nfs/dbraw/zinc/21/73/75/449217375.db2.gz DGTYWBYPLDEPHY-KRWDZBQOSA-N 2 2 334.464 1.858 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3nccs3)C2)CC1 ZINC000604185850 449188429 /nfs/dbraw/zinc/18/84/29/449188429.db2.gz ZGYZOPIKPXDLGI-CYBMUJFWSA-N 2 2 337.493 1.153 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3nccs3)C2)CC1 ZINC000604185850 449188434 /nfs/dbraw/zinc/18/84/34/449188434.db2.gz ZGYZOPIKPXDLGI-CYBMUJFWSA-N 2 2 337.493 1.153 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)nc1 ZINC000595907825 449246068 /nfs/dbraw/zinc/24/60/68/449246068.db2.gz YXYIVSPAPBFBNK-KRWDZBQOSA-N 2 2 335.448 1.801 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)nc1 ZINC000595907825 449246075 /nfs/dbraw/zinc/24/60/75/449246075.db2.gz YXYIVSPAPBFBNK-KRWDZBQOSA-N 2 2 335.448 1.801 20 0 EDADLP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604389925 449223334 /nfs/dbraw/zinc/22/33/34/449223334.db2.gz ZBDIRGXFMAEZSR-MJGOQNOKSA-N 2 2 344.503 1.750 20 0 EDADLP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389925 449223337 /nfs/dbraw/zinc/22/33/37/449223337.db2.gz ZBDIRGXFMAEZSR-MJGOQNOKSA-N 2 2 344.503 1.750 20 0 EDADLP COc1ccnc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604745410 449288347 /nfs/dbraw/zinc/28/83/47/449288347.db2.gz HLKFJRBAPOOWNE-HNNXBMFYSA-N 2 2 332.448 1.331 20 0 EDADLP COc1ccnc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604745410 449288352 /nfs/dbraw/zinc/28/83/52/449288352.db2.gz HLKFJRBAPOOWNE-HNNXBMFYSA-N 2 2 332.448 1.331 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000593922204 449289380 /nfs/dbraw/zinc/28/93/80/449289380.db2.gz BWEZBCPLCDBXMI-IQMFZBJNSA-N 2 2 339.505 1.951 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000590849922 449319575 /nfs/dbraw/zinc/31/95/75/449319575.db2.gz HLPJXVUJPFSDFV-SJORKVTESA-N 2 2 349.479 1.586 20 0 EDADLP COC(=O)C(C)(C)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000593906294 449275391 /nfs/dbraw/zinc/27/53/91/449275391.db2.gz TUWAKEQXUJQCIB-LSDHHAIUSA-N 2 2 335.448 1.322 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC000602097863 449342366 /nfs/dbraw/zinc/34/23/66/449342366.db2.gz PKFBREDVGLRTKB-ROUUACIJSA-N 2 2 347.507 1.709 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCOC(C)(C)C3)C2)CC1 ZINC000605057827 449344797 /nfs/dbraw/zinc/34/47/97/449344797.db2.gz PYIVMZZNWYQMHT-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCOC(C)(C)C3)C2)CC1 ZINC000605057827 449344802 /nfs/dbraw/zinc/34/48/02/449344802.db2.gz PYIVMZZNWYQMHT-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602197723 449426674 /nfs/dbraw/zinc/42/66/74/449426674.db2.gz WPOUCEZOIYXMAP-LSDHHAIUSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602197723 449426680 /nfs/dbraw/zinc/42/66/80/449426680.db2.gz WPOUCEZOIYXMAP-LSDHHAIUSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000606620999 449491416 /nfs/dbraw/zinc/49/14/16/449491416.db2.gz VVNQMJHWKAXOMQ-CQSZACIVSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600749671 449533024 /nfs/dbraw/zinc/53/30/24/449533024.db2.gz QUWMHGBDSDTUDY-XWIAVFTESA-N 2 2 336.480 1.465 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600749671 449533028 /nfs/dbraw/zinc/53/30/28/449533028.db2.gz QUWMHGBDSDTUDY-XWIAVFTESA-N 2 2 336.480 1.465 20 0 EDADLP CC[C@H](C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000617342658 449565995 /nfs/dbraw/zinc/56/59/95/449565995.db2.gz HDYFTSCUTUSZPF-BZUAXINKSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000617342658 449565998 /nfs/dbraw/zinc/56/59/98/449565998.db2.gz HDYFTSCUTUSZPF-BZUAXINKSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617342658 449566000 /nfs/dbraw/zinc/56/60/00/449566000.db2.gz HDYFTSCUTUSZPF-BZUAXINKSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617342658 449566003 /nfs/dbraw/zinc/56/60/03/449566003.db2.gz HDYFTSCUTUSZPF-BZUAXINKSA-N 2 2 325.497 1.865 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)c1ccccc1 ZINC000614503909 449651875 /nfs/dbraw/zinc/65/18/75/449651875.db2.gz SUGNFMSTQARWHP-ZWKOTPCHSA-N 2 2 330.476 1.186 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)c1ccccc1 ZINC000614503909 449651881 /nfs/dbraw/zinc/65/18/81/449651881.db2.gz SUGNFMSTQARWHP-ZWKOTPCHSA-N 2 2 330.476 1.186 20 0 EDADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(OC(F)F)c1 ZINC000594736977 449657366 /nfs/dbraw/zinc/65/73/66/449657366.db2.gz UVTXVDJZPILCHZ-DGCLKSJQSA-N 2 2 341.358 1.040 20 0 EDADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(OC(F)F)c1 ZINC000594736977 449657372 /nfs/dbraw/zinc/65/73/72/449657372.db2.gz UVTXVDJZPILCHZ-DGCLKSJQSA-N 2 2 341.358 1.040 20 0 EDADLP CN(C(=O)[C@@H]1Cc2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906490 449665146 /nfs/dbraw/zinc/66/51/46/449665146.db2.gz KLPCTYUINBAZLY-IEBWSBKVSA-N 2 2 327.472 1.953 20 0 EDADLP CN(C(=O)[C@@H]1Cc2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906490 449665149 /nfs/dbraw/zinc/66/51/49/449665149.db2.gz KLPCTYUINBAZLY-IEBWSBKVSA-N 2 2 327.472 1.953 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000601113870 449697126 /nfs/dbraw/zinc/69/71/26/449697126.db2.gz RXUCQPFFKSMJHW-KRWDZBQOSA-N 2 2 346.523 2.213 20 0 EDADLP CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617556822 449688019 /nfs/dbraw/zinc/68/80/19/449688019.db2.gz YOKIEBAJYRROER-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000617556822 449688027 /nfs/dbraw/zinc/68/80/27/449688027.db2.gz YOKIEBAJYRROER-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)CO1 ZINC000617727061 449783774 /nfs/dbraw/zinc/78/37/74/449783774.db2.gz CQRNDYMLWYJMDX-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)CO1 ZINC000617727061 449783778 /nfs/dbraw/zinc/78/37/78/449783778.db2.gz CQRNDYMLWYJMDX-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740408 449785195 /nfs/dbraw/zinc/78/51/95/449785195.db2.gz BCARCXCIUVRHMV-UONOGXRCSA-N 2 2 347.463 1.631 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740408 449785199 /nfs/dbraw/zinc/78/51/99/449785199.db2.gz BCARCXCIUVRHMV-UONOGXRCSA-N 2 2 347.463 1.631 20 0 EDADLP OCCNc1nc(N2CCC[C@H](n3cc[nH+]c3)C2)[nH+]c2ccccc21 ZINC000608082917 449744914 /nfs/dbraw/zinc/74/49/14/449744914.db2.gz QAONWZKQWMMAFI-AWEZNQCLSA-N 2 2 338.415 2.072 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1 ZINC000614663148 449747828 /nfs/dbraw/zinc/74/78/28/449747828.db2.gz MLHSTZFFYJPJQF-GJZGRUSLSA-N 2 2 335.452 1.272 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1 ZINC000614663148 449747833 /nfs/dbraw/zinc/74/78/33/449747833.db2.gz MLHSTZFFYJPJQF-GJZGRUSLSA-N 2 2 335.452 1.272 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614663148 449747838 /nfs/dbraw/zinc/74/78/38/449747838.db2.gz MLHSTZFFYJPJQF-GJZGRUSLSA-N 2 2 335.452 1.272 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614663148 449747844 /nfs/dbraw/zinc/74/78/44/449747844.db2.gz MLHSTZFFYJPJQF-GJZGRUSLSA-N 2 2 335.452 1.272 20 0 EDADLP Cc1ccc2c(c1)CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)O2 ZINC000617764399 449825106 /nfs/dbraw/zinc/82/51/06/449825106.db2.gz VKACMZWFERKSDE-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP Cc1ccc2c(c1)CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)O2 ZINC000617764399 449825111 /nfs/dbraw/zinc/82/51/11/449825111.db2.gz VKACMZWFERKSDE-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccoc1Br ZINC000617764026 449825378 /nfs/dbraw/zinc/82/53/78/449825378.db2.gz GEZXLAKRPHUTAS-UHFFFAOYSA-N 2 2 332.242 1.655 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccoc1Br ZINC000617764026 449825383 /nfs/dbraw/zinc/82/53/83/449825383.db2.gz GEZXLAKRPHUTAS-UHFFFAOYSA-N 2 2 332.242 1.655 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccnc1C(F)(F)F ZINC000617765836 449826992 /nfs/dbraw/zinc/82/69/92/449826992.db2.gz RWNULPDJXWAWEG-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccnc1C(F)(F)F ZINC000617765836 449826996 /nfs/dbraw/zinc/82/69/96/449826996.db2.gz RWNULPDJXWAWEG-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP CCc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]c(C)c1C(C)=O ZINC000617767479 449831051 /nfs/dbraw/zinc/83/10/51/449831051.db2.gz XILYAJYSNBZRMT-UHFFFAOYSA-N 2 2 336.480 1.701 20 0 EDADLP CCc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]c(C)c1C(C)=O ZINC000617767479 449831057 /nfs/dbraw/zinc/83/10/57/449831057.db2.gz XILYAJYSNBZRMT-UHFFFAOYSA-N 2 2 336.480 1.701 20 0 EDADLP CCN(C#N)CC[NH+]1CCCC2(CCC[N@@H+](CCN(C#N)CC)C2)C1 ZINC000602834177 449844653 /nfs/dbraw/zinc/84/46/53/449844653.db2.gz RZWWHVNOINFCSI-UHFFFAOYSA-N 2 2 346.523 1.770 20 0 EDADLP CCN(C#N)CC[NH+]1CCCC2(CCC[N@H+](CCN(C#N)CC)C2)C1 ZINC000602834177 449844658 /nfs/dbraw/zinc/84/46/58/449844658.db2.gz RZWWHVNOINFCSI-UHFFFAOYSA-N 2 2 346.523 1.770 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nc(C(=O)OC)co3)C2)CC1 ZINC000602776396 449800722 /nfs/dbraw/zinc/80/07/22/449800722.db2.gz PRCDRRIJTIFULV-KBPBESRZSA-N 2 2 336.436 1.234 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nc(C(=O)OC)co3)C2)CC1 ZINC000602776396 449800725 /nfs/dbraw/zinc/80/07/25/449800725.db2.gz PRCDRRIJTIFULV-KBPBESRZSA-N 2 2 336.436 1.234 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000599283942 449858535 /nfs/dbraw/zinc/85/85/35/449858535.db2.gz ICGVOLBVQJVXOP-DLBZAZTESA-N 2 2 326.481 1.889 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000599283942 449858540 /nfs/dbraw/zinc/85/85/40/449858540.db2.gz ICGVOLBVQJVXOP-DLBZAZTESA-N 2 2 326.481 1.889 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000612752809 449868235 /nfs/dbraw/zinc/86/82/35/449868235.db2.gz LIOQGSWUMBZCEZ-WVCIDPQESA-N 2 2 332.448 1.234 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000599293855 449869726 /nfs/dbraw/zinc/86/97/26/449869726.db2.gz WCUKGZAYPBQLMP-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000599293855 449869732 /nfs/dbraw/zinc/86/97/32/449869732.db2.gz WCUKGZAYPBQLMP-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[NH+]2CCOCC2)c1 ZINC000599310397 449881991 /nfs/dbraw/zinc/88/19/91/449881991.db2.gz VNZBRVDTONKDKN-MOPGFXCFSA-N 2 2 345.487 1.969 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[NH+]2CCOCC2)c1 ZINC000599310397 449881995 /nfs/dbraw/zinc/88/19/95/449881995.db2.gz VNZBRVDTONKDKN-MOPGFXCFSA-N 2 2 345.487 1.969 20 0 EDADLP CC[C@H](C[C@H](C)CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608686083 449909533 /nfs/dbraw/zinc/90/95/33/449909533.db2.gz JAPLNQRYCJQQIC-ARFHVFGLSA-N 2 2 340.512 1.251 20 0 EDADLP CC[C@H](C[C@H](C)CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608686083 449909535 /nfs/dbraw/zinc/90/95/35/449909535.db2.gz JAPLNQRYCJQQIC-ARFHVFGLSA-N 2 2 340.512 1.251 20 0 EDADLP CSC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000602920331 449921358 /nfs/dbraw/zinc/92/13/58/449921358.db2.gz BIKHYXQJHCQESQ-UHFFFAOYSA-N 2 2 348.516 1.948 20 0 EDADLP CCN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000617928166 449923795 /nfs/dbraw/zinc/92/37/95/449923795.db2.gz KNELUBJLRZOOHF-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP CCN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000617928166 449923797 /nfs/dbraw/zinc/92/37/97/449923797.db2.gz KNELUBJLRZOOHF-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)c1c(F)cccc1F ZINC000612880988 449923927 /nfs/dbraw/zinc/92/39/27/449923927.db2.gz LRPDBBZWJSWQPP-CZUORRHYSA-N 2 2 326.391 1.619 20 0 EDADLP CCCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000601472485 449995110 /nfs/dbraw/zinc/99/51/10/449995110.db2.gz LTJDAFXTAGEHTR-MRXNPFEDSA-N 2 2 333.480 1.603 20 0 EDADLP CCCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000601472485 449995112 /nfs/dbraw/zinc/99/51/12/449995112.db2.gz LTJDAFXTAGEHTR-MRXNPFEDSA-N 2 2 333.480 1.603 20 0 EDADLP CCCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000601472485 449995115 /nfs/dbraw/zinc/99/51/15/449995115.db2.gz LTJDAFXTAGEHTR-MRXNPFEDSA-N 2 2 333.480 1.603 20 0 EDADLP CCCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000601472485 449995117 /nfs/dbraw/zinc/99/51/17/449995117.db2.gz LTJDAFXTAGEHTR-MRXNPFEDSA-N 2 2 333.480 1.603 20 0 EDADLP CCCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000601472484 449995751 /nfs/dbraw/zinc/99/57/51/449995751.db2.gz LTJDAFXTAGEHTR-INIZCTEOSA-N 2 2 333.480 1.603 20 0 EDADLP CCCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000601472484 449995755 /nfs/dbraw/zinc/99/57/55/449995755.db2.gz LTJDAFXTAGEHTR-INIZCTEOSA-N 2 2 333.480 1.603 20 0 EDADLP CCCc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000601472484 449995759 /nfs/dbraw/zinc/99/57/59/449995759.db2.gz LTJDAFXTAGEHTR-INIZCTEOSA-N 2 2 333.480 1.603 20 0 EDADLP CCCc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000601472484 449995767 /nfs/dbraw/zinc/99/57/67/449995767.db2.gz LTJDAFXTAGEHTR-INIZCTEOSA-N 2 2 333.480 1.603 20 0 EDADLP CN(C(=O)c1noc2c1CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479710 450002854 /nfs/dbraw/zinc/00/28/54/450002854.db2.gz QMFVZXNFEBNAQO-OAHLLOKOSA-N 2 2 346.475 1.794 20 0 EDADLP CN(C(=O)c1noc2c1CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479710 450002858 /nfs/dbraw/zinc/00/28/58/450002858.db2.gz QMFVZXNFEBNAQO-OAHLLOKOSA-N 2 2 346.475 1.794 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342401 450056169 /nfs/dbraw/zinc/05/61/69/450056169.db2.gz NEEZPUBXDUQQNJ-LSDHHAIUSA-N 2 2 339.480 1.203 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342401 450056176 /nfs/dbraw/zinc/05/61/76/450056176.db2.gz NEEZPUBXDUQQNJ-LSDHHAIUSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342401 450056179 /nfs/dbraw/zinc/05/61/79/450056179.db2.gz NEEZPUBXDUQQNJ-LSDHHAIUSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342401 450056186 /nfs/dbraw/zinc/05/61/86/450056186.db2.gz NEEZPUBXDUQQNJ-LSDHHAIUSA-N 2 2 339.480 1.203 20 0 EDADLP COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000599591893 450090062 /nfs/dbraw/zinc/09/00/62/450090062.db2.gz SJWCPKXWGCCRSX-CABCVRRESA-N 2 2 337.420 1.398 20 0 EDADLP COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000599591893 450090065 /nfs/dbraw/zinc/09/00/65/450090065.db2.gz SJWCPKXWGCCRSX-CABCVRRESA-N 2 2 337.420 1.398 20 0 EDADLP CCOC(=O)C1CC[NH+](Cc2cn(Cc3[nH]c(C)c(C)[nH+]3)nn2)CC1 ZINC000603252257 450181135 /nfs/dbraw/zinc/18/11/35/450181135.db2.gz NORMNIAWAYGVLA-UHFFFAOYSA-N 2 2 346.435 1.441 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000625294253 450278653 /nfs/dbraw/zinc/27/86/53/450278653.db2.gz XIZBPRSIJHIVJA-OGWHTMIXSA-N 2 2 345.487 1.557 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[NH+]1CCOCC1 ZINC000625294253 450278658 /nfs/dbraw/zinc/27/86/58/450278658.db2.gz XIZBPRSIJHIVJA-OGWHTMIXSA-N 2 2 345.487 1.557 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000625408917 450340636 /nfs/dbraw/zinc/34/06/36/450340636.db2.gz QIPNGZDMUQUHIC-HNNXBMFYSA-N 2 2 328.420 1.384 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000618985118 450362420 /nfs/dbraw/zinc/36/24/20/450362420.db2.gz DNKIZKGFRIRRFT-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000618985118 450362425 /nfs/dbraw/zinc/36/24/25/450362425.db2.gz DNKIZKGFRIRRFT-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000623401410 450514520 /nfs/dbraw/zinc/51/45/20/450514520.db2.gz ZZRXNRFNCGUGFX-QGZVFWFLSA-N 2 2 343.431 1.061 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000623401410 450514523 /nfs/dbraw/zinc/51/45/23/450514523.db2.gz ZZRXNRFNCGUGFX-QGZVFWFLSA-N 2 2 343.431 1.061 20 0 EDADLP C[C@@H](C[NH2+]Cc1cn(-c2ccc(F)cc2)nn1)C[NH+]1CCOCC1 ZINC000623427072 450520616 /nfs/dbraw/zinc/52/06/16/450520616.db2.gz LLEWUNVYPZZAPV-AWEZNQCLSA-N 2 2 333.411 1.464 20 0 EDADLP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000620622039 450521909 /nfs/dbraw/zinc/52/19/09/450521909.db2.gz BNQFDIAQDFGGNU-UHFFFAOYSA-N 2 2 348.491 1.764 20 0 EDADLP CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000620622039 450521910 /nfs/dbraw/zinc/52/19/10/450521910.db2.gz BNQFDIAQDFGGNU-UHFFFAOYSA-N 2 2 348.491 1.764 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000625856043 450522360 /nfs/dbraw/zinc/52/23/60/450522360.db2.gz AVJXOPKERUIROS-AWEZNQCLSA-N 2 2 328.428 1.598 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000625856043 450522361 /nfs/dbraw/zinc/52/23/61/450522361.db2.gz AVJXOPKERUIROS-AWEZNQCLSA-N 2 2 328.428 1.598 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000625858353 450522872 /nfs/dbraw/zinc/52/28/72/450522872.db2.gz YOKUCAUWONAKCR-UHFFFAOYSA-N 2 2 331.420 1.787 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)([NH+](C)C)C1 ZINC000623716122 450570963 /nfs/dbraw/zinc/57/09/63/450570963.db2.gz GFBNFEIAPQLINJ-INMHGKMJSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2COCC[N@H+]2C)([NH+](C)C)C1 ZINC000623716122 450570965 /nfs/dbraw/zinc/57/09/65/450570965.db2.gz GFBNFEIAPQLINJ-INMHGKMJSA-N 2 2 326.485 1.127 20 0 EDADLP CN(C)c1c(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)ccc(F)c1F ZINC000623536130 450539155 /nfs/dbraw/zinc/53/91/55/450539155.db2.gz MQRRUOGZSSCNSG-CQSZACIVSA-N 2 2 327.419 1.967 20 0 EDADLP CN(C)c1c(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)ccc(F)c1F ZINC000623536130 450539158 /nfs/dbraw/zinc/53/91/58/450539158.db2.gz MQRRUOGZSSCNSG-CQSZACIVSA-N 2 2 327.419 1.967 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000623617915 450552280 /nfs/dbraw/zinc/55/22/80/450552280.db2.gz VGSBFMYQGGVREH-KRWDZBQOSA-N 2 2 327.432 1.302 20 0 EDADLP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000623619801 450553242 /nfs/dbraw/zinc/55/32/42/450553242.db2.gz XZNMADWBPBUJKB-WMZOPIPTSA-N 2 2 331.460 1.482 20 0 EDADLP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)CC2 ZINC000623619801 450553247 /nfs/dbraw/zinc/55/32/47/450553247.db2.gz XZNMADWBPBUJKB-WMZOPIPTSA-N 2 2 331.460 1.482 20 0 EDADLP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000620908505 450559087 /nfs/dbraw/zinc/55/90/87/450559087.db2.gz ARMMBXSUWWXJEB-HOTGVXAUSA-N 2 2 346.475 1.547 20 0 EDADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000623758047 450578613 /nfs/dbraw/zinc/57/86/13/450578613.db2.gz NJFBRHXTTDUBNH-GOSISDBHSA-N 2 2 327.428 1.817 20 0 EDADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000623758047 450578614 /nfs/dbraw/zinc/57/86/14/450578614.db2.gz NJFBRHXTTDUBNH-GOSISDBHSA-N 2 2 327.428 1.817 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000633032991 450627771 /nfs/dbraw/zinc/62/77/71/450627771.db2.gz FEWJXYOTXUSGLB-WBVHZDCISA-N 2 2 341.459 1.987 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000633032991 450627781 /nfs/dbraw/zinc/62/77/81/450627781.db2.gz FEWJXYOTXUSGLB-WBVHZDCISA-N 2 2 341.459 1.987 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)CC2 ZINC000626267447 450655114 /nfs/dbraw/zinc/65/51/14/450655114.db2.gz BDQUYKGMMHGDKL-AWEZNQCLSA-N 2 2 343.431 1.116 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631574600 450661952 /nfs/dbraw/zinc/66/19/52/450661952.db2.gz JDPDXYBBLOWJPK-YVSFHVDLSA-N 2 2 335.492 1.476 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631574600 450661958 /nfs/dbraw/zinc/66/19/58/450661958.db2.gz JDPDXYBBLOWJPK-YVSFHVDLSA-N 2 2 335.492 1.476 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CO ZINC000621364136 450699819 /nfs/dbraw/zinc/69/98/19/450699819.db2.gz AKORLNMDEDKEBL-MJGOQNOKSA-N 2 2 345.487 1.281 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1CO ZINC000621364136 450699824 /nfs/dbraw/zinc/69/98/24/450699824.db2.gz AKORLNMDEDKEBL-MJGOQNOKSA-N 2 2 345.487 1.281 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)[C@@H](C)[NH+](C)C)c2[nH+]ccn2C)c1 ZINC000635172451 450717819 /nfs/dbraw/zinc/71/78/19/450717819.db2.gz WYGPWOLJNNEIAH-MLGOLLRUSA-N 2 2 346.431 1.593 20 0 EDADLP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)ccc1S(C)(=O)=O ZINC000629521070 450724210 /nfs/dbraw/zinc/72/42/10/450724210.db2.gz KZFPSENDTOZLBN-GFCCVEGCSA-N 2 2 342.461 1.257 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563670 450737955 /nfs/dbraw/zinc/73/79/55/450737955.db2.gz FAHWRDICGZZJOF-VOAKCMCISA-N 2 2 337.386 1.129 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563670 450737958 /nfs/dbraw/zinc/73/79/58/450737958.db2.gz FAHWRDICGZZJOF-VOAKCMCISA-N 2 2 337.386 1.129 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629571513 450742418 /nfs/dbraw/zinc/74/24/18/450742418.db2.gz VNSZRSYIDUEGNE-LPHOPBHVSA-N 3 2 332.492 1.653 20 0 EDADLP Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000629575882 450744057 /nfs/dbraw/zinc/74/40/57/450744057.db2.gz PQFAUEQCMQKZFE-QZTJIDSGSA-N 2 2 331.460 1.142 20 0 EDADLP C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000624279031 450776004 /nfs/dbraw/zinc/77/60/04/450776004.db2.gz DTEFKFDQJYAEAM-CYBMUJFWSA-N 2 2 349.460 1.014 20 0 EDADLP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000624303516 450788945 /nfs/dbraw/zinc/78/89/45/450788945.db2.gz FOTPQIKHKNHVEV-GOEBONIOSA-N 2 2 329.404 1.862 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000626667119 450841070 /nfs/dbraw/zinc/84/10/70/450841070.db2.gz KEPPGZSCOBVUSQ-HOTGVXAUSA-N 2 2 334.464 1.371 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000626667119 450841075 /nfs/dbraw/zinc/84/10/75/450841075.db2.gz KEPPGZSCOBVUSQ-HOTGVXAUSA-N 2 2 334.464 1.371 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]([NH+]3CCOCC3)C1)CC2 ZINC000627572234 450819092 /nfs/dbraw/zinc/81/90/92/450819092.db2.gz XRWYVCHTBJPYSO-CVEARBPZSA-N 2 2 332.448 1.077 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@H]3COCC[N@H+]3C)C2)cc1 ZINC000633370488 450823036 /nfs/dbraw/zinc/82/30/36/450823036.db2.gz DNSAMEOATYXWPC-ROUUACIJSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@H]3COCC[N@@H+]3C)C2)cc1 ZINC000633370488 450823038 /nfs/dbraw/zinc/82/30/38/450823038.db2.gz DNSAMEOATYXWPC-ROUUACIJSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@H]3COCC[NH+]3C)C2)cc1 ZINC000633370488 450823041 /nfs/dbraw/zinc/82/30/41/450823041.db2.gz DNSAMEOATYXWPC-ROUUACIJSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@H]3COCC[NH+]3C)C2)cc1 ZINC000633370488 450823043 /nfs/dbraw/zinc/82/30/43/450823043.db2.gz DNSAMEOATYXWPC-ROUUACIJSA-N 2 2 346.475 1.199 20 0 EDADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NCCc1nc2ccccc2s1 ZINC000631868084 450836532 /nfs/dbraw/zinc/83/65/32/450836532.db2.gz WBKKFYZLCUGNEQ-ACJLOTCBSA-N 2 2 344.484 1.687 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000631822672 450798630 /nfs/dbraw/zinc/79/86/30/450798630.db2.gz KWHAULIPOOMJQM-CABCVRRESA-N 2 2 347.463 1.102 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000631822672 450798633 /nfs/dbraw/zinc/79/86/33/450798633.db2.gz KWHAULIPOOMJQM-CABCVRRESA-N 2 2 347.463 1.102 20 0 EDADLP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000631834529 450804446 /nfs/dbraw/zinc/80/44/46/450804446.db2.gz ZDYCQRMOFATTTR-QGZVFWFLSA-N 3 2 345.491 1.324 20 0 EDADLP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000631834529 450804449 /nfs/dbraw/zinc/80/44/49/450804449.db2.gz ZDYCQRMOFATTTR-QGZVFWFLSA-N 3 2 345.491 1.324 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887330 450848661 /nfs/dbraw/zinc/84/86/61/450848661.db2.gz QKUBGVOZXRSINE-DLBZAZTESA-N 2 2 331.460 1.428 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887330 450848668 /nfs/dbraw/zinc/84/86/68/450848668.db2.gz QKUBGVOZXRSINE-DLBZAZTESA-N 2 2 331.460 1.428 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888189 450850337 /nfs/dbraw/zinc/85/03/37/450850337.db2.gz WYBJKCQECWJYTI-WBVHZDCISA-N 2 2 337.489 1.511 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888189 450850340 /nfs/dbraw/zinc/85/03/40/450850340.db2.gz WYBJKCQECWJYTI-WBVHZDCISA-N 2 2 337.489 1.511 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631890174 450851948 /nfs/dbraw/zinc/85/19/48/450851948.db2.gz NBSUPOZRKWJUEA-IPMKNSEASA-N 3 2 344.503 1.479 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631890174 450851953 /nfs/dbraw/zinc/85/19/53/450851953.db2.gz NBSUPOZRKWJUEA-IPMKNSEASA-N 3 2 344.503 1.479 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)CC2 ZINC000626705734 450861841 /nfs/dbraw/zinc/86/18/41/450861841.db2.gz DLFDKXSJWHFUCN-HNNXBMFYSA-N 2 2 334.464 1.323 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)CC2 ZINC000626705734 450861843 /nfs/dbraw/zinc/86/18/43/450861843.db2.gz DLFDKXSJWHFUCN-HNNXBMFYSA-N 2 2 334.464 1.323 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)C2=O)c1 ZINC000621781613 450866030 /nfs/dbraw/zinc/86/60/30/450866030.db2.gz GVHVPNMZLRPHIU-IXDGSTSKSA-N 2 2 345.443 1.622 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)C2=O)c1 ZINC000621781613 450866036 /nfs/dbraw/zinc/86/60/36/450866036.db2.gz GVHVPNMZLRPHIU-IXDGSTSKSA-N 2 2 345.443 1.622 20 0 EDADLP [NH3+][C@@]12CCC[C@H]1CN(CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000621781935 450866165 /nfs/dbraw/zinc/86/61/65/450866165.db2.gz KHFGONVWTGBHOC-MAUKXSAKSA-N 2 2 348.516 1.206 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501940 450996755 /nfs/dbraw/zinc/99/67/55/450996755.db2.gz VFCKYDSDUGBWOY-NWDGAFQWSA-N 2 2 334.342 1.214 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501940 450996758 /nfs/dbraw/zinc/99/67/58/450996758.db2.gz VFCKYDSDUGBWOY-NWDGAFQWSA-N 2 2 334.342 1.214 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626946105 451024947 /nfs/dbraw/zinc/02/49/47/451024947.db2.gz RUIGNWYQDXZGCE-QGZVFWFLSA-N 2 2 349.479 1.463 20 0 EDADLP CC(C)C[C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000635556894 451053660 /nfs/dbraw/zinc/05/36/60/451053660.db2.gz UCQFLVDELCYQPE-ZWKOTPCHSA-N 2 2 349.523 1.859 20 0 EDADLP CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC000633896007 451079606 /nfs/dbraw/zinc/07/96/06/451079606.db2.gz GSMVTYRLESTETA-UHFFFAOYSA-N 2 2 331.460 1.768 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633896403 451080413 /nfs/dbraw/zinc/08/04/13/451080413.db2.gz GZATXLQGRRGXFI-HZPDHXFCSA-N 2 2 331.460 1.909 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000635693933 451177632 /nfs/dbraw/zinc/17/76/32/451177632.db2.gz FIUVZAPQDOJYJC-CVEARBPZSA-N 2 2 334.464 1.766 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635715075 451194060 /nfs/dbraw/zinc/19/40/60/451194060.db2.gz SBNVIQPIRXCUAQ-STQMWFEESA-N 2 2 348.369 1.292 20 0 EDADLP CN(C(=O)[C@H]1C[C@@H](O)C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000635732713 451204643 /nfs/dbraw/zinc/20/46/43/451204643.db2.gz GPADNEVPMAYSIB-BZZMCLGOSA-N 2 2 337.508 1.553 20 0 EDADLP CN(C(=O)[C@H]1C[C@@H](O)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000635732713 451204648 /nfs/dbraw/zinc/20/46/48/451204648.db2.gz GPADNEVPMAYSIB-BZZMCLGOSA-N 2 2 337.508 1.553 20 0 EDADLP CN(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000635732715 451204733 /nfs/dbraw/zinc/20/47/33/451204733.db2.gz GPADNEVPMAYSIB-SPUZQDLCSA-N 2 2 337.508 1.553 20 0 EDADLP CN(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000635732715 451204737 /nfs/dbraw/zinc/20/47/37/451204737.db2.gz GPADNEVPMAYSIB-SPUZQDLCSA-N 2 2 337.508 1.553 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC000635735676 451207566 /nfs/dbraw/zinc/20/75/66/451207566.db2.gz RHINRNBFZNVUQZ-QAPCUYQASA-N 2 2 331.460 1.822 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC000635735676 451207570 /nfs/dbraw/zinc/20/75/70/451207570.db2.gz RHINRNBFZNVUQZ-QAPCUYQASA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC000635735676 451207574 /nfs/dbraw/zinc/20/75/74/451207574.db2.gz RHINRNBFZNVUQZ-QAPCUYQASA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC000635735676 451207578 /nfs/dbraw/zinc/20/75/78/451207578.db2.gz RHINRNBFZNVUQZ-QAPCUYQASA-N 2 2 331.460 1.822 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@]34C[C@H]3COC4(C)C)c2)CC1 ZINC000634194159 451230913 /nfs/dbraw/zinc/23/09/13/451230913.db2.gz LNTOQYYMWYZYFC-UGSOOPFHSA-N 2 2 330.432 1.587 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccnc(OCC[NH+](C)C)c2)[nH+]1 ZINC000635746979 451215461 /nfs/dbraw/zinc/21/54/61/451215461.db2.gz NPLVPBHQZAJTNG-UHFFFAOYSA-N 2 2 331.420 1.166 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3cncc(O)c3)c2)CC1 ZINC000634193297 451227993 /nfs/dbraw/zinc/22/79/93/451227993.db2.gz IOWIQCALOGRYCQ-UHFFFAOYSA-N 2 2 327.388 1.115 20 0 EDADLP C[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)n1cc[nH+]c1 ZINC000634193304 451228504 /nfs/dbraw/zinc/22/85/04/451228504.db2.gz BFQCBULNTSDRPG-AWEZNQCLSA-N 3 2 328.420 1.620 20 0 EDADLP C[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)n1ccnc1 ZINC000634193304 451228505 /nfs/dbraw/zinc/22/85/05/451228505.db2.gz BFQCBULNTSDRPG-AWEZNQCLSA-N 2 2 328.420 1.620 20 0 EDADLP Cc1cc(=O)c(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c[nH]1 ZINC000634196238 451234454 /nfs/dbraw/zinc/23/44/54/451234454.db2.gz QUEFTWFYYNDGPM-UHFFFAOYSA-N 2 2 327.388 1.082 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COCc3ccccc3)c2)CC1 ZINC000634198923 451234710 /nfs/dbraw/zinc/23/47/10/451234710.db2.gz WRMDQQKZYMJMSW-UHFFFAOYSA-N 2 2 340.427 1.989 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC000632390484 451245518 /nfs/dbraw/zinc/24/55/18/451245518.db2.gz BTWVWWNWGYXZLX-AWEZNQCLSA-N 2 2 340.493 1.619 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+]1CCOCC1 ZINC000636522617 451264403 /nfs/dbraw/zinc/26/44/03/451264403.db2.gz JRRYGIHDJBFXBJ-DOTOQJQBSA-N 2 2 349.479 1.244 20 0 EDADLP 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ZINC000638118059 451287179 /nfs/dbraw/zinc/28/71/79/451287179.db2.gz VKZGIADEOKAAHZ-AAEUAGOBSA-N 2 2 329.441 1.388 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000638130426 451301995 /nfs/dbraw/zinc/30/19/95/451301995.db2.gz FVXYAMHDAXHEMR-QFBILLFUSA-N 2 2 342.443 1.509 20 0 EDADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635860665 451306859 /nfs/dbraw/zinc/30/68/59/451306859.db2.gz CGXPUBQCBRJAOG-TZMCWYRMSA-N 2 2 348.369 1.292 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000636587629 451327950 /nfs/dbraw/zinc/32/79/50/451327950.db2.gz IAIQBPFBYHUFTN-IRXDYDNUSA-N 2 2 339.443 1.772 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000636587629 451327957 /nfs/dbraw/zinc/32/79/57/451327957.db2.gz IAIQBPFBYHUFTN-IRXDYDNUSA-N 2 2 339.443 1.772 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[N@@H+]1C ZINC000634304137 451288062 /nfs/dbraw/zinc/28/80/62/451288062.db2.gz UWSWHMWXQVOVPS-HOCLYGCPSA-N 2 2 348.516 1.981 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[N@H+]1C ZINC000634304137 451288069 /nfs/dbraw/zinc/28/80/69/451288069.db2.gz UWSWHMWXQVOVPS-HOCLYGCPSA-N 2 2 348.516 1.981 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000635915439 451360760 /nfs/dbraw/zinc/36/07/60/451360760.db2.gz WQKQMYSTHWSCBZ-HNNXBMFYSA-N 2 2 336.505 1.949 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000635915439 451360766 /nfs/dbraw/zinc/36/07/66/451360766.db2.gz WQKQMYSTHWSCBZ-HNNXBMFYSA-N 2 2 336.505 1.949 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@H](CO)C[NH+]1CCCCC1 ZINC000635914995 451361330 /nfs/dbraw/zinc/36/13/30/451361330.db2.gz RQIOKQLPXHWTEQ-STQMWFEESA-N 2 2 348.369 1.340 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000634511182 451377560 /nfs/dbraw/zinc/37/75/60/451377560.db2.gz DMEIRPPDEIAZFN-BBWFWOEESA-N 2 2 345.491 1.425 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000634511182 451377562 /nfs/dbraw/zinc/37/75/62/451377562.db2.gz DMEIRPPDEIAZFN-BBWFWOEESA-N 2 2 345.491 1.425 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000632565552 451407151 /nfs/dbraw/zinc/40/71/51/451407151.db2.gz LOVDTZRAGQXQCY-HZPDHXFCSA-N 2 2 342.443 1.328 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000632565552 451407152 /nfs/dbraw/zinc/40/71/52/451407152.db2.gz LOVDTZRAGQXQCY-HZPDHXFCSA-N 2 2 342.443 1.328 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000638299362 451414809 /nfs/dbraw/zinc/41/48/09/451414809.db2.gz WRNCUEPSVZOLFX-HOCLYGCPSA-N 2 2 347.369 1.389 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000638299362 451414816 /nfs/dbraw/zinc/41/48/16/451414816.db2.gz WRNCUEPSVZOLFX-HOCLYGCPSA-N 2 2 347.369 1.389 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+]CC3CCSCC3)CC2)nc1 ZINC000638352465 451452412 /nfs/dbraw/zinc/45/24/12/451452412.db2.gz NMYRGTBNLURRTM-UHFFFAOYSA-N 2 2 335.521 1.722 20 0 EDADLP C[C@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000638363902 451462269 /nfs/dbraw/zinc/46/22/69/451462269.db2.gz SIEVAVSGSVXXLK-LSDHHAIUSA-N 2 2 345.553 1.947 20 0 EDADLP C[C@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000638363902 451462273 /nfs/dbraw/zinc/46/22/73/451462273.db2.gz SIEVAVSGSVXXLK-LSDHHAIUSA-N 2 2 345.553 1.947 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000638367313 451465795 /nfs/dbraw/zinc/46/57/95/451465795.db2.gz DCANKRKSBQCLGV-ZDUSSCGKSA-N 2 2 326.400 1.982 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(OC)c2)CC[N@@H+]1CCOC ZINC000638377968 451473532 /nfs/dbraw/zinc/47/35/32/451473532.db2.gz LBRKEHASAGDKTH-SJLPKXTDSA-N 2 2 349.475 1.654 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(OC)c2)CC[N@H+]1CCOC ZINC000638377968 451473537 /nfs/dbraw/zinc/47/35/37/451473537.db2.gz LBRKEHASAGDKTH-SJLPKXTDSA-N 2 2 349.475 1.654 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000628922506 451486827 /nfs/dbraw/zinc/48/68/27/451486827.db2.gz XDEIZEWEEQCYLR-FUHWJXTLSA-N 2 2 349.450 1.485 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000628922506 451486829 /nfs/dbraw/zinc/48/68/29/451486829.db2.gz XDEIZEWEEQCYLR-FUHWJXTLSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000628922506 451486835 /nfs/dbraw/zinc/48/68/35/451486835.db2.gz XDEIZEWEEQCYLR-FUHWJXTLSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000628922506 451486841 /nfs/dbraw/zinc/48/68/41/451486841.db2.gz XDEIZEWEEQCYLR-FUHWJXTLSA-N 2 2 349.450 1.485 20 0 EDADLP COCC1(C2CC2)C[NH+](C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000634652390 451445723 /nfs/dbraw/zinc/44/57/23/451445723.db2.gz PJLNBOQAJYYDKW-LJQANCHMSA-N 2 2 330.472 1.764 20 0 EDADLP COCC1(C2CC2)C[NH+](C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000634652390 451445727 /nfs/dbraw/zinc/44/57/27/451445727.db2.gz PJLNBOQAJYYDKW-LJQANCHMSA-N 2 2 330.472 1.764 20 0 EDADLP Fc1c[nH+]ccc1NCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000630953873 451507822 /nfs/dbraw/zinc/50/78/22/451507822.db2.gz SVVWNPUYBZCSIF-UHFFFAOYSA-N 2 2 331.391 1.966 20 0 EDADLP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000636097718 451513834 /nfs/dbraw/zinc/51/38/34/451513834.db2.gz JLWXATPRCFDXOG-HDICACEKSA-N 2 2 343.471 1.875 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638439083 451518025 /nfs/dbraw/zinc/51/80/25/451518025.db2.gz AQIFBQPGSJGARA-UHFFFAOYSA-N 2 2 331.247 1.439 20 0 EDADLP CO[C@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000638440041 451518604 /nfs/dbraw/zinc/51/86/04/451518604.db2.gz JVHMDAOZVIUCES-LJQANCHMSA-N 2 2 334.460 1.912 20 0 EDADLP CN(C)C(C)(C)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631032329 451543526 /nfs/dbraw/zinc/54/35/26/451543526.db2.gz BDIOZDFPKMWTBQ-UHFFFAOYSA-N 2 2 335.492 1.827 20 0 EDADLP CN(C)[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000631045476 451550813 /nfs/dbraw/zinc/55/08/13/451550813.db2.gz GIXZFHBNXMLHPV-FQEVSTJZSA-N 2 2 347.503 1.827 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000634813461 451567807 /nfs/dbraw/zinc/56/78/07/451567807.db2.gz LYJCKORYWNJHEU-CABCVRRESA-N 2 2 333.480 1.875 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000634813461 451567814 /nfs/dbraw/zinc/56/78/14/451567814.db2.gz LYJCKORYWNJHEU-CABCVRRESA-N 2 2 333.480 1.875 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638571116 451582254 /nfs/dbraw/zinc/58/22/54/451582254.db2.gz PDXYFEKCYBLWOO-RDJZCZTQSA-N 3 2 339.528 1.170 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638571116 451582261 /nfs/dbraw/zinc/58/22/61/451582261.db2.gz PDXYFEKCYBLWOO-RDJZCZTQSA-N 3 2 339.528 1.170 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000638618353 451612172 /nfs/dbraw/zinc/61/21/72/451612172.db2.gz GAJSWLVVOLCLKZ-IAGOWNOFSA-N 2 2 335.423 1.285 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000638618353 451612180 /nfs/dbraw/zinc/61/21/80/451612180.db2.gz GAJSWLVVOLCLKZ-IAGOWNOFSA-N 2 2 335.423 1.285 20 0 EDADLP COc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000631246388 451660850 /nfs/dbraw/zinc/66/08/50/451660850.db2.gz BFERFFOOJRZHLW-INIZCTEOSA-N 2 2 346.475 1.639 20 0 EDADLP COc1cncc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000631246388 451660855 /nfs/dbraw/zinc/66/08/55/451660855.db2.gz BFERFFOOJRZHLW-INIZCTEOSA-N 2 2 346.475 1.639 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636292607 451660856 /nfs/dbraw/zinc/66/08/56/451660856.db2.gz FDAOLFURUXUKPE-UHFFFAOYSA-N 2 2 335.411 1.730 20 0 EDADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)C1(F)F ZINC000636985435 451661357 /nfs/dbraw/zinc/66/13/57/451661357.db2.gz CIHSVZUKLKVRAY-KBPBESRZSA-N 2 2 346.466 1.945 20 0 EDADLP [NH3+][C@@H](CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000638879257 451717367 /nfs/dbraw/zinc/71/73/67/451717367.db2.gz GAVVVUPLQSACJP-PKOBYXMFSA-N 2 2 345.487 1.706 20 0 EDADLP [NH3+][C@@H](CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000638879257 451717368 /nfs/dbraw/zinc/71/73/68/451717368.db2.gz GAVVVUPLQSACJP-PKOBYXMFSA-N 2 2 345.487 1.706 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](CCc1ccccc1)C(F)F ZINC000638776064 451686692 /nfs/dbraw/zinc/68/66/92/451686692.db2.gz OVDREQXVKDTLOF-GJZGRUSLSA-N 2 2 327.419 1.990 20 0 EDADLP [NH3+][C@@H](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)Cc1ccccc1 ZINC000638883203 451718758 /nfs/dbraw/zinc/71/87/58/451718758.db2.gz XTIWBHUUIVQVCE-INIZCTEOSA-N 2 2 326.444 1.838 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000638869296 451714930 /nfs/dbraw/zinc/71/49/30/451714930.db2.gz HYXIAUJXCQPEBO-XYPHTWIQSA-N 2 2 332.448 1.369 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000638869296 451714935 /nfs/dbraw/zinc/71/49/35/451714935.db2.gz HYXIAUJXCQPEBO-XYPHTWIQSA-N 2 2 332.448 1.369 20 0 EDADLP COCc1nc(C)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)s1 ZINC000638984801 451746103 /nfs/dbraw/zinc/74/61/03/451746103.db2.gz RXDAAOAIUZSQCZ-UHFFFAOYSA-N 2 2 347.444 1.655 20 0 EDADLP COCc1csc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638986278 451747146 /nfs/dbraw/zinc/74/71/46/451747146.db2.gz ZFLMBOKIEWETFB-UHFFFAOYSA-N 2 2 332.429 1.951 20 0 EDADLP COCc1nc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cs1 ZINC000638987797 451747896 /nfs/dbraw/zinc/74/78/96/451747896.db2.gz JPAZYBPYPCOQED-UHFFFAOYSA-N 2 2 333.417 1.346 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000639022567 451753672 /nfs/dbraw/zinc/75/36/72/451753672.db2.gz JPAZJCBJKMUSIE-IAGOWNOFSA-N 2 2 345.491 1.233 20 0 EDADLP COC[C@H]([NH3+])Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2C)nn1 ZINC000641164457 451766975 /nfs/dbraw/zinc/76/69/75/451766975.db2.gz OQYRVNAWVGRCLJ-OAHLLOKOSA-N 2 2 326.404 1.337 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(C)(C)[NH+]1CCOCC1 ZINC000639169920 451784596 /nfs/dbraw/zinc/78/45/96/451784596.db2.gz MYQUINVAXJRQBI-UHFFFAOYSA-N 3 2 326.529 1.055 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(C)(C)[NH+]1CCOCC1 ZINC000639169920 451784599 /nfs/dbraw/zinc/78/45/99/451784599.db2.gz MYQUINVAXJRQBI-UHFFFAOYSA-N 3 2 326.529 1.055 20 0 EDADLP C[C@@]12C[NH+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@@]1(C)C(=O)NC2=O ZINC000639370082 451853452 /nfs/dbraw/zinc/85/34/52/451853452.db2.gz XOJZXOCPMWIQIS-HOTGVXAUSA-N 2 2 330.413 1.418 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)C1CC[NH+](CC(F)F)CC1)CCO2 ZINC000649129662 451862376 /nfs/dbraw/zinc/86/23/76/451862376.db2.gz FVXZEFNDFUSNQW-UHFFFAOYSA-N 2 2 345.434 1.287 20 0 EDADLP Cc1nc(-c2ccccc2)oc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000639449759 451872967 /nfs/dbraw/zinc/87/29/67/451872967.db2.gz BAIQYKCEPZUEHH-UHFFFAOYSA-N 2 2 342.443 1.856 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)C1CC1 ZINC000644585065 451879064 /nfs/dbraw/zinc/87/90/64/451879064.db2.gz BFAWJDBYMZHKOX-MOPGFXCFSA-N 2 2 345.487 1.265 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)C1CC1 ZINC000644585065 451879068 /nfs/dbraw/zinc/87/90/68/451879068.db2.gz BFAWJDBYMZHKOX-MOPGFXCFSA-N 2 2 345.487 1.265 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]CCOc1ncc(Cl)cc1Cl)C1CC1 ZINC000644596378 451884587 /nfs/dbraw/zinc/88/45/87/451884587.db2.gz VAEKADXBGBASFI-GFCCVEGCSA-N 2 2 334.247 1.812 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]CCOc1ncc(Cl)cc1Cl)C1CC1 ZINC000644596378 451884596 /nfs/dbraw/zinc/88/45/96/451884596.db2.gz VAEKADXBGBASFI-GFCCVEGCSA-N 2 2 334.247 1.812 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCN(C4CCC4)C3=O)CC2)c1 ZINC000639475946 451886762 /nfs/dbraw/zinc/88/67/62/451886762.db2.gz WVMOEGKKDPPKPQ-INIZCTEOSA-N 2 2 330.432 1.366 20 0 EDADLP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)n1 ZINC000639546383 451935488 /nfs/dbraw/zinc/93/54/88/451935488.db2.gz NHFLJQWJOKUIED-GOSISDBHSA-N 2 2 330.476 1.921 20 0 EDADLP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(C)n1 ZINC000639546383 451935491 /nfs/dbraw/zinc/93/54/91/451935491.db2.gz NHFLJQWJOKUIED-GOSISDBHSA-N 2 2 330.476 1.921 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639566211 451947827 /nfs/dbraw/zinc/94/78/27/451947827.db2.gz JARULRPPUNWINM-AZUAARDMSA-N 3 2 340.471 1.846 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639566211 451947832 /nfs/dbraw/zinc/94/78/32/451947832.db2.gz JARULRPPUNWINM-AZUAARDMSA-N 3 2 340.471 1.846 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639566211 451947836 /nfs/dbraw/zinc/94/78/36/451947836.db2.gz JARULRPPUNWINM-AZUAARDMSA-N 3 2 340.471 1.846 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639566211 451947843 /nfs/dbraw/zinc/94/78/43/451947843.db2.gz JARULRPPUNWINM-AZUAARDMSA-N 3 2 340.471 1.846 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000649282183 451954414 /nfs/dbraw/zinc/95/44/14/451954414.db2.gz LXBNLTYSFCMMFZ-UHFFFAOYSA-N 2 2 327.350 1.841 20 0 EDADLP [NH3+]C1CCC(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000649282698 451955897 /nfs/dbraw/zinc/95/58/97/451955897.db2.gz ADIIFLLWESYGAT-UHFFFAOYSA-N 2 2 341.459 1.496 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000649285764 451959238 /nfs/dbraw/zinc/95/92/38/451959238.db2.gz RZICPXMFOBVRPY-GJZGRUSLSA-N 2 2 344.459 1.388 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC[C@H](C)[NH3+] ZINC000641424605 451964007 /nfs/dbraw/zinc/96/40/07/451964007.db2.gz LJLKMOWLARSFOQ-JKSUJKDBSA-N 2 2 334.464 1.266 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CCC[NH2+]CC1)CC2 ZINC000646987926 451988736 /nfs/dbraw/zinc/98/87/36/451988736.db2.gz XUAPQWVIONNQDX-INIZCTEOSA-N 2 2 347.459 1.320 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CCC[NH2+]CC1)CC2 ZINC000646987926 451988740 /nfs/dbraw/zinc/98/87/40/451988740.db2.gz XUAPQWVIONNQDX-INIZCTEOSA-N 2 2 347.459 1.320 20 0 EDADLP COC[C@]1(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCC[NH2+]1 ZINC000649317954 451996333 /nfs/dbraw/zinc/99/63/33/451996333.db2.gz HKBPOJWWMBMTTD-UGSOOPFHSA-N 2 2 334.464 1.380 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[C@H](C)O1 ZINC000637651463 451998287 /nfs/dbraw/zinc/99/82/87/451998287.db2.gz RYDXSZRMIGPFAN-IJEWVQPXSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[C@H](C)O1 ZINC000637651463 451998289 /nfs/dbraw/zinc/99/82/89/451998289.db2.gz RYDXSZRMIGPFAN-IJEWVQPXSA-N 2 2 326.485 1.220 20 0 EDADLP CC1(C)C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H](CO)O1 ZINC000639675715 452015680 /nfs/dbraw/zinc/01/56/80/452015680.db2.gz XJIKVHJJULTTIC-HKUYNNGSSA-N 2 2 334.460 1.095 20 0 EDADLP CC1(C)C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H](CO)O1 ZINC000639675715 452015687 /nfs/dbraw/zinc/01/56/87/452015687.db2.gz XJIKVHJJULTTIC-HKUYNNGSSA-N 2 2 334.460 1.095 20 0 EDADLP CC1(C)C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H](CO)O1 ZINC000639675715 452015693 /nfs/dbraw/zinc/01/56/93/452015693.db2.gz XJIKVHJJULTTIC-HKUYNNGSSA-N 2 2 334.460 1.095 20 0 EDADLP CC1(C)C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](CO)O1 ZINC000639675715 452015700 /nfs/dbraw/zinc/01/57/00/452015700.db2.gz XJIKVHJJULTTIC-HKUYNNGSSA-N 2 2 334.460 1.095 20 0 EDADLP c1ccc(Cn2nnnc2C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639681761 452021154 /nfs/dbraw/zinc/02/11/54/452021154.db2.gz FFXMAFLTBMGOFZ-UHFFFAOYSA-N 2 2 349.442 1.829 20 0 EDADLP c1ccc(Cn2nnnc2C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639681761 452021158 /nfs/dbraw/zinc/02/11/58/452021158.db2.gz FFXMAFLTBMGOFZ-UHFFFAOYSA-N 2 2 349.442 1.829 20 0 EDADLP CCn1nc2c(cc1=O)C[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)CC2 ZINC000643058196 452028418 /nfs/dbraw/zinc/02/84/18/452028418.db2.gz LTKDTWULCQOICL-INIZCTEOSA-N 2 2 342.443 1.372 20 0 EDADLP CCn1nc2c(cc1=O)C[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)CC2 ZINC000643058196 452028426 /nfs/dbraw/zinc/02/84/26/452028426.db2.gz LTKDTWULCQOICL-INIZCTEOSA-N 2 2 342.443 1.372 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000649352401 452035160 /nfs/dbraw/zinc/03/51/60/452035160.db2.gz PXFKFLOISAQNKJ-SFHVURJKSA-N 2 2 341.459 1.556 20 0 EDADLP CN(C(=O)[C@H]1CCc2cccnc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644866918 452038546 /nfs/dbraw/zinc/03/85/46/452038546.db2.gz RECZZQBPVXZSOR-ROUUACIJSA-N 2 2 342.487 1.738 20 0 EDADLP CN(C(=O)[C@H]1CCc2cccnc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644866918 452038554 /nfs/dbraw/zinc/03/85/54/452038554.db2.gz RECZZQBPVXZSOR-ROUUACIJSA-N 2 2 342.487 1.738 20 0 EDADLP CC1=Nc2ccccc2C12CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC000639714445 452055983 /nfs/dbraw/zinc/05/59/83/452055983.db2.gz BZDBQCQNUDSIBE-UHFFFAOYSA-N 2 2 340.471 1.900 20 0 EDADLP CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641541653 452073279 /nfs/dbraw/zinc/07/32/79/452073279.db2.gz FEMZXUGMAKXUFF-QGZVFWFLSA-N 2 2 349.500 1.389 20 0 EDADLP CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641541653 452073286 /nfs/dbraw/zinc/07/32/86/452073286.db2.gz FEMZXUGMAKXUFF-QGZVFWFLSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000643235432 452086845 /nfs/dbraw/zinc/08/68/45/452086845.db2.gz UPDBQKMSLJRDAD-PCKAHOCUSA-N 2 2 331.464 1.832 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000639763421 452103282 /nfs/dbraw/zinc/10/32/82/452103282.db2.gz CPPHUROCPOLMMC-WMLDXEAASA-N 2 2 342.867 1.468 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000639763421 452103286 /nfs/dbraw/zinc/10/32/86/452103286.db2.gz CPPHUROCPOLMMC-WMLDXEAASA-N 2 2 342.867 1.468 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639766031 452107612 /nfs/dbraw/zinc/10/76/12/452107612.db2.gz NAXFYRKURFBILW-LPHOPBHVSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639766031 452107622 /nfs/dbraw/zinc/10/76/22/452107622.db2.gz NAXFYRKURFBILW-LPHOPBHVSA-N 2 2 333.476 1.388 20 0 EDADLP [NH3+]CCCOC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000637863867 452119923 /nfs/dbraw/zinc/11/99/23/452119923.db2.gz IUPCQFHSFFEUPG-UHFFFAOYSA-N 2 2 344.415 1.548 20 0 EDADLP C[C@@H](CCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)[NH+](C)C ZINC000641605733 452125427 /nfs/dbraw/zinc/12/54/27/452125427.db2.gz LGAODLKQKZYPQZ-ZDUSSCGKSA-N 2 2 325.478 1.293 20 0 EDADLP C[C@@H](CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)[NH+](C)C ZINC000641605733 452125430 /nfs/dbraw/zinc/12/54/30/452125430.db2.gz LGAODLKQKZYPQZ-ZDUSSCGKSA-N 2 2 325.478 1.293 20 0 EDADLP OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637889522 452141615 /nfs/dbraw/zinc/14/16/15/452141615.db2.gz IYRUCJGEOMTZTL-DFNIBXOVSA-N 2 2 346.471 1.885 20 0 EDADLP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637889522 452141621 /nfs/dbraw/zinc/14/16/21/452141621.db2.gz IYRUCJGEOMTZTL-DFNIBXOVSA-N 2 2 346.471 1.885 20 0 EDADLP CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649588043 452157236 /nfs/dbraw/zinc/15/72/36/452157236.db2.gz ZHYPMBSSEAQDST-OAGGEKHMSA-N 2 2 331.526 1.509 20 0 EDADLP CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649588043 452157239 /nfs/dbraw/zinc/15/72/39/452157239.db2.gz ZHYPMBSSEAQDST-OAGGEKHMSA-N 2 2 331.526 1.509 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000641654436 452171154 /nfs/dbraw/zinc/17/11/54/452171154.db2.gz BGPPZNQZYUKIHQ-AWEZNQCLSA-N 2 2 328.420 1.352 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000641654436 452171161 /nfs/dbraw/zinc/17/11/61/452171161.db2.gz BGPPZNQZYUKIHQ-AWEZNQCLSA-N 2 2 328.420 1.352 20 0 EDADLP CC(C)c1nc(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)nc(N(C)C)[nH+]1 ZINC000641654700 452172143 /nfs/dbraw/zinc/17/21/43/452172143.db2.gz KLWQUBCHYCDIGV-CQSZACIVSA-N 2 2 348.495 1.751 20 0 EDADLP CC(C)c1nc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)nc(N(C)C)[nH+]1 ZINC000641654700 452172146 /nfs/dbraw/zinc/17/21/46/452172146.db2.gz KLWQUBCHYCDIGV-CQSZACIVSA-N 2 2 348.495 1.751 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649626288 452173325 /nfs/dbraw/zinc/17/33/25/452173325.db2.gz MFLQNAOXCPIWMA-INIZCTEOSA-N 2 2 337.508 1.460 20 0 EDADLP CC(C)O[C@@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1 ZINC000649685123 452197041 /nfs/dbraw/zinc/19/70/41/452197041.db2.gz PCDZKYZZUMXWNM-SFHVURJKSA-N 2 2 333.476 1.859 20 0 EDADLP CC(C)O[C@@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1 ZINC000649685123 452197051 /nfs/dbraw/zinc/19/70/51/452197051.db2.gz PCDZKYZZUMXWNM-SFHVURJKSA-N 2 2 333.476 1.859 20 0 EDADLP COc1ccc(OCCC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649689089 452200709 /nfs/dbraw/zinc/20/07/09/452200709.db2.gz ZQOGTAPUPCRPJT-UHFFFAOYSA-N 2 2 335.448 1.170 20 0 EDADLP COc1ccc(OCCC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649689089 452200715 /nfs/dbraw/zinc/20/07/15/452200715.db2.gz ZQOGTAPUPCRPJT-UHFFFAOYSA-N 2 2 335.448 1.170 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCCC[NH2+]1 ZINC000643481366 452244257 /nfs/dbraw/zinc/24/42/57/452244257.db2.gz XGZFWTGXRAWVGM-RHSMWYFYSA-N 2 2 337.489 1.847 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641783863 452252318 /nfs/dbraw/zinc/25/23/18/452252318.db2.gz QQMSJIKHJKNWOO-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641783863 452252325 /nfs/dbraw/zinc/25/23/25/452252325.db2.gz QQMSJIKHJKNWOO-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccn(C)n1 ZINC000641785070 452254465 /nfs/dbraw/zinc/25/44/65/452254465.db2.gz HLNAJVZCLJNVPR-DLBZAZTESA-N 2 2 335.496 1.257 20 0 EDADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641785967 452255636 /nfs/dbraw/zinc/25/56/36/452255636.db2.gz GYIMPOFGYVXCCI-PKOBYXMFSA-N 2 2 349.523 1.911 20 0 EDADLP Cc1cncc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641785670 452255931 /nfs/dbraw/zinc/25/59/31/452255931.db2.gz JZEHBZRKDKSCSJ-HKUYNNGSSA-N 2 2 332.492 1.837 20 0 EDADLP c1c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)nn2c1CCCC2 ZINC000641786875 452260656 /nfs/dbraw/zinc/26/06/56/452260656.db2.gz IRHUAELXGMTQDF-QGZVFWFLSA-N 2 2 347.507 1.106 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@]1(C)CCCO1 ZINC000641787413 452262070 /nfs/dbraw/zinc/26/20/70/452262070.db2.gz VFUMBXBYPHLSGY-KSZLIROESA-N 2 2 325.497 1.330 20 0 EDADLP CCOc1cccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000641788606 452266300 /nfs/dbraw/zinc/26/63/00/452266300.db2.gz RNHIOAMSZBIJBM-SFHVURJKSA-N 2 2 348.491 1.367 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641789629 452267767 /nfs/dbraw/zinc/26/77/67/452267767.db2.gz OABWVBPSYSRWJW-GOSISDBHSA-N 2 2 333.476 1.581 20 0 EDADLP C[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488547 452288103 /nfs/dbraw/zinc/28/81/03/452288103.db2.gz CKQWJAGOGLRVBI-KFWWJZLASA-N 2 2 331.460 1.097 20 0 EDADLP C[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488547 452288110 /nfs/dbraw/zinc/28/81/10/452288110.db2.gz CKQWJAGOGLRVBI-KFWWJZLASA-N 2 2 331.460 1.097 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645317716 452294556 /nfs/dbraw/zinc/29/45/56/452294556.db2.gz QLDXNNQSZHYQRH-INIZCTEOSA-N 2 2 329.448 1.969 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645317716 452294560 /nfs/dbraw/zinc/29/45/60/452294560.db2.gz QLDXNNQSZHYQRH-INIZCTEOSA-N 2 2 329.448 1.969 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661504514 452305368 /nfs/dbraw/zinc/30/53/68/452305368.db2.gz ONSWGSBSYDBQNP-OAHLLOKOSA-N 2 2 331.464 1.786 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661504514 452305377 /nfs/dbraw/zinc/30/53/77/452305377.db2.gz ONSWGSBSYDBQNP-OAHLLOKOSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@H](CCO)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000649864474 452324878 /nfs/dbraw/zinc/32/48/78/452324878.db2.gz CKSRXCSNRACFSX-SJORKVTESA-N 2 2 333.476 1.595 20 0 EDADLP C[C@H](CCO)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000649864474 452324882 /nfs/dbraw/zinc/32/48/82/452324882.db2.gz CKSRXCSNRACFSX-SJORKVTESA-N 2 2 333.476 1.595 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659476172 452335225 /nfs/dbraw/zinc/33/52/25/452335225.db2.gz SZGFBEWJWPLSRK-VQISRLSMSA-N 2 2 326.391 1.617 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659476172 452335233 /nfs/dbraw/zinc/33/52/33/452335233.db2.gz SZGFBEWJWPLSRK-VQISRLSMSA-N 2 2 326.391 1.617 20 0 EDADLP CO[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@](C)(CO)C1 ZINC000640004434 452336867 /nfs/dbraw/zinc/33/68/67/452336867.db2.gz MFFLWMMLLOSAEC-OALUTQOASA-N 2 2 334.460 1.491 20 0 EDADLP CO[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@](C)(CO)C1 ZINC000640004434 452336878 /nfs/dbraw/zinc/33/68/78/452336878.db2.gz MFFLWMMLLOSAEC-OALUTQOASA-N 2 2 334.460 1.491 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000638056166 452340689 /nfs/dbraw/zinc/34/06/89/452340689.db2.gz WUZVDTAHFKKQPQ-ZWKOTPCHSA-N 2 2 333.476 1.940 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccn(C(F)F)c3=O)CC2)C1 ZINC000638057477 452345274 /nfs/dbraw/zinc/34/52/74/452345274.db2.gz QLSABHZKWOUFBF-HNNXBMFYSA-N 2 2 340.418 1.455 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccn(C(F)F)c3=O)CC2)C1 ZINC000638057477 452345280 /nfs/dbraw/zinc/34/52/80/452345280.db2.gz QLSABHZKWOUFBF-HNNXBMFYSA-N 2 2 340.418 1.455 20 0 EDADLP [NH3+]Cc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cn1 ZINC000638058085 452345325 /nfs/dbraw/zinc/34/53/25/452345325.db2.gz SPJZJWHTSOGNLW-UHFFFAOYSA-N 2 2 343.406 1.423 20 0 EDADLP [NH3+]Cc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cn1 ZINC000638058085 452345334 /nfs/dbraw/zinc/34/53/34/452345334.db2.gz SPJZJWHTSOGNLW-UHFFFAOYSA-N 2 2 343.406 1.423 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000657578414 452345972 /nfs/dbraw/zinc/34/59/72/452345972.db2.gz KHDIXCKQHGPVBS-AWEZNQCLSA-N 2 2 343.431 1.429 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000657578414 452345983 /nfs/dbraw/zinc/34/59/83/452345983.db2.gz KHDIXCKQHGPVBS-AWEZNQCLSA-N 2 2 343.431 1.429 20 0 EDADLP Cc1cc(N2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000638059640 452349214 /nfs/dbraw/zinc/34/92/14/452349214.db2.gz VTJGOXMWARNNSA-OAHLLOKOSA-N 2 2 329.448 1.605 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)c[nH+]2)C[C@@H](C)O1 ZINC000638061902 452354638 /nfs/dbraw/zinc/35/46/38/452354638.db2.gz NDVCYNIOSRBIPA-XJKCOSOUSA-N 2 2 330.432 1.359 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000638061235 452355396 /nfs/dbraw/zinc/35/53/96/452355396.db2.gz CDAKHJHODQCTNP-LPHOPBHVSA-N 2 2 346.475 1.845 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)CO1 ZINC000663623824 452358961 /nfs/dbraw/zinc/35/89/61/452358961.db2.gz HCIHUANRCVQQLO-KBPBESRZSA-N 2 2 335.452 1.056 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)CO1 ZINC000663623824 452358967 /nfs/dbraw/zinc/35/89/67/452358967.db2.gz HCIHUANRCVQQLO-KBPBESRZSA-N 2 2 335.452 1.056 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663628016 452364659 /nfs/dbraw/zinc/36/46/59/452364659.db2.gz CCFGXLNEHUJDTF-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663628016 452364668 /nfs/dbraw/zinc/36/46/68/452364668.db2.gz CCFGXLNEHUJDTF-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CCCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000645393080 452365851 /nfs/dbraw/zinc/36/58/51/452365851.db2.gz HWRQIXSQFGTFHB-QGZVFWFLSA-N 3 2 339.528 1.138 20 0 EDADLP CCCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645393080 452365857 /nfs/dbraw/zinc/36/58/57/452365857.db2.gz HWRQIXSQFGTFHB-QGZVFWFLSA-N 3 2 339.528 1.138 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638076425 452388944 /nfs/dbraw/zinc/38/89/44/452388944.db2.gz KPRVGPZZFHSCQN-IBGZPJMESA-N 3 2 347.503 1.781 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638076425 452388955 /nfs/dbraw/zinc/38/89/55/452388955.db2.gz KPRVGPZZFHSCQN-IBGZPJMESA-N 3 2 347.503 1.781 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659527200 452390794 /nfs/dbraw/zinc/39/07/94/452390794.db2.gz UIUCHSRSWNGWNJ-GOSISDBHSA-N 2 2 347.507 1.101 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659527200 452390801 /nfs/dbraw/zinc/39/08/01/452390801.db2.gz UIUCHSRSWNGWNJ-GOSISDBHSA-N 2 2 347.507 1.101 20 0 EDADLP [NH3+]C[C@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)C1CCCC1 ZINC000659540649 452399865 /nfs/dbraw/zinc/39/98/65/452399865.db2.gz GLYMEBLJEQTOFY-KRWDZBQOSA-N 2 2 338.496 1.258 20 0 EDADLP C[C@H](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[NH+](C)C ZINC000663659112 452399964 /nfs/dbraw/zinc/39/99/64/452399964.db2.gz QVSPEIUACMOQCK-AEFFLSMTSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC2 ZINC000659579643 452433514 /nfs/dbraw/zinc/43/35/14/452433514.db2.gz UJGKCOLMEOZNTG-IAGOWNOFSA-N 2 2 339.443 1.862 20 0 EDADLP Cc1cc(CO)cc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)[nH+]1 ZINC000663731113 452465480 /nfs/dbraw/zinc/46/54/80/452465480.db2.gz CFTKHCFHYFLQSL-UHFFFAOYSA-N 2 2 332.492 1.877 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000652338550 452508689 /nfs/dbraw/zinc/50/86/89/452508689.db2.gz VSMOCROJJRDMML-INIZCTEOSA-N 2 2 345.409 1.793 20 0 EDADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000652338550 452508696 /nfs/dbraw/zinc/50/86/96/452508696.db2.gz VSMOCROJJRDMML-INIZCTEOSA-N 2 2 345.409 1.793 20 0 EDADLP [NH3+]CCC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000652359655 452539786 /nfs/dbraw/zinc/53/97/86/452539786.db2.gz OWFISHZRGWEKER-UHFFFAOYSA-N 3 2 345.491 1.181 20 0 EDADLP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655725942 452539992 /nfs/dbraw/zinc/53/99/92/452539992.db2.gz NZRYTVBKGLOFNE-APWZRJJASA-N 3 2 337.508 1.330 20 0 EDADLP COc1ccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c(OC)c1 ZINC000647814381 452543835 /nfs/dbraw/zinc/54/38/35/452543835.db2.gz LNRRPBJUMFNUAP-UHFFFAOYSA-N 2 2 333.432 1.859 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(OC)c1 ZINC000647814381 452543845 /nfs/dbraw/zinc/54/38/45/452543845.db2.gz LNRRPBJUMFNUAP-UHFFFAOYSA-N 2 2 333.432 1.859 20 0 EDADLP CN(CCO)c1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]c1 ZINC000655742750 452552433 /nfs/dbraw/zinc/55/24/33/452552433.db2.gz ABSKUKYDPVKESJ-QGZVFWFLSA-N 2 2 334.464 1.565 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCCn3ccnc32)C1=O ZINC000655752513 452556244 /nfs/dbraw/zinc/55/62/44/452556244.db2.gz ZJRUICNCWPFBDS-KBPBESRZSA-N 2 2 328.420 1.232 20 0 EDADLP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655764604 452564784 /nfs/dbraw/zinc/56/47/84/452564784.db2.gz MDZQYWGWZYTWMI-MSOLQXFVSA-N 2 2 331.460 1.707 20 0 EDADLP OCCN1CCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772484 452569157 /nfs/dbraw/zinc/56/91/57/452569157.db2.gz XEBZFSARIPKQDR-MSOLQXFVSA-N 2 2 325.497 1.066 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000663847227 452573144 /nfs/dbraw/zinc/57/31/44/452573144.db2.gz PRBSQKMVDXGPHF-IRXDYDNUSA-N 2 2 336.455 1.864 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000663847227 452573151 /nfs/dbraw/zinc/57/31/51/452573151.db2.gz PRBSQKMVDXGPHF-IRXDYDNUSA-N 2 2 336.455 1.864 20 0 EDADLP CN1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1=O ZINC000661805584 452587788 /nfs/dbraw/zinc/58/77/88/452587788.db2.gz MSANWIXPKCXYIP-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP CN1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1=O ZINC000661805584 452587803 /nfs/dbraw/zinc/58/78/03/452587803.db2.gz MSANWIXPKCXYIP-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP CN1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1=O ZINC000661805584 452587816 /nfs/dbraw/zinc/58/78/16/452587816.db2.gz MSANWIXPKCXYIP-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP CN1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1=O ZINC000661805584 452587829 /nfs/dbraw/zinc/58/78/29/452587829.db2.gz MSANWIXPKCXYIP-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647873538 452613387 /nfs/dbraw/zinc/61/33/87/452613387.db2.gz XADHKOXUNXVOOQ-AWEZNQCLSA-N 2 2 341.452 1.132 20 0 EDADLP O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647873538 452613396 /nfs/dbraw/zinc/61/33/96/452613396.db2.gz XADHKOXUNXVOOQ-AWEZNQCLSA-N 2 2 341.452 1.132 20 0 EDADLP C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H]1CC[NH2+]C1 ZINC000647882002 452620146 /nfs/dbraw/zinc/62/01/46/452620146.db2.gz APPCPUIZGJMOJI-CQSZACIVSA-N 2 2 326.462 1.400 20 0 EDADLP C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H]1CC[NH2+]C1 ZINC000647882002 452620153 /nfs/dbraw/zinc/62/01/53/452620153.db2.gz APPCPUIZGJMOJI-CQSZACIVSA-N 2 2 326.462 1.400 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CCO1 ZINC000666132570 452629509 /nfs/dbraw/zinc/62/95/09/452629509.db2.gz YBVSEWSWASDDSG-HNNXBMFYSA-N 2 2 331.420 1.909 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899233 452641125 /nfs/dbraw/zinc/64/11/25/452641125.db2.gz DRHUKHQODMFNFL-UKPHBRMFSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899233 452641130 /nfs/dbraw/zinc/64/11/30/452641130.db2.gz DRHUKHQODMFNFL-UKPHBRMFSA-N 2 2 344.459 1.577 20 0 EDADLP COCCOc1ccc(CNC(=O)C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647925597 452663934 /nfs/dbraw/zinc/66/39/34/452663934.db2.gz PMPATIYKTJWLOC-UHFFFAOYSA-N 2 2 335.448 1.141 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC[C@H]1[NH3+] ZINC000647936599 452676007 /nfs/dbraw/zinc/67/60/07/452676007.db2.gz IEATVPOYYPNVMY-ZTFGCOKTSA-N 2 2 349.450 1.785 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC[C@H]1[NH3+] ZINC000647936599 452676019 /nfs/dbraw/zinc/67/60/19/452676019.db2.gz IEATVPOYYPNVMY-ZTFGCOKTSA-N 2 2 349.450 1.785 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC[C@H]1[NH3+] ZINC000647937829 452678896 /nfs/dbraw/zinc/67/88/96/452678896.db2.gz CRVUFJQWJFGBSV-SUMWQHHRSA-N 2 2 344.459 1.577 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC[C@H]1[NH3+] ZINC000647937829 452678904 /nfs/dbraw/zinc/67/89/04/452678904.db2.gz CRVUFJQWJFGBSV-SUMWQHHRSA-N 2 2 344.459 1.577 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000652640894 452797286 /nfs/dbraw/zinc/79/72/86/452797286.db2.gz PIIAIGSTQYNNMG-UHFFFAOYSA-N 2 2 326.400 1.673 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000659919251 452811495 /nfs/dbraw/zinc/81/14/95/452811495.db2.gz FCQNKWMIEXAOQJ-INIZCTEOSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000659919251 452811498 /nfs/dbraw/zinc/81/14/98/452811498.db2.gz FCQNKWMIEXAOQJ-INIZCTEOSA-N 2 2 331.464 1.610 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000648118573 452835908 /nfs/dbraw/zinc/83/59/08/452835908.db2.gz QOBRTNYSTWGJNK-BZUAXINKSA-N 3 2 345.491 1.266 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@]1(C)CO ZINC000662136886 452867690 /nfs/dbraw/zinc/86/76/90/452867690.db2.gz RLKUWXWJWNURCP-YLJYHZDGSA-N 2 2 345.487 1.281 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@]1(C)CO ZINC000662136886 452867699 /nfs/dbraw/zinc/86/76/99/452867699.db2.gz RLKUWXWJWNURCP-YLJYHZDGSA-N 2 2 345.487 1.281 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000664209522 452882459 /nfs/dbraw/zinc/88/24/59/452882459.db2.gz AWHHGVPEDFEZIY-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000664209522 452882465 /nfs/dbraw/zinc/88/24/65/452882465.db2.gz AWHHGVPEDFEZIY-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000666482960 452900290 /nfs/dbraw/zinc/90/02/90/452900290.db2.gz SPZZLQLKVPKXBP-QFBILLFUSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1CC[NH3+] ZINC000650711006 452948493 /nfs/dbraw/zinc/94/84/93/452948493.db2.gz GEKBNVBLSMMXHZ-DOTOQJQBSA-N 3 2 332.496 1.178 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H]1CC[NH3+] ZINC000650711006 452948502 /nfs/dbraw/zinc/94/85/02/452948502.db2.gz GEKBNVBLSMMXHZ-DOTOQJQBSA-N 3 2 332.496 1.178 20 0 EDADLP COc1ccccc1NC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662252106 452977665 /nfs/dbraw/zinc/97/76/65/452977665.db2.gz JUTJWLKTJNKTGL-OAHLLOKOSA-N 2 2 333.432 1.334 20 0 EDADLP FC1(F)Oc2ccc(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2O1 ZINC000650760371 452978200 /nfs/dbraw/zinc/97/82/00/452978200.db2.gz BWGBBMLVDHRFBS-CVEARBPZSA-N 2 2 340.370 1.907 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656278170 453004873 /nfs/dbraw/zinc/00/48/73/453004873.db2.gz PPLFDAGYWGSHKX-IAGOWNOFSA-N 2 2 327.428 1.889 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656278170 453004877 /nfs/dbraw/zinc/00/48/77/453004877.db2.gz PPLFDAGYWGSHKX-IAGOWNOFSA-N 2 2 327.428 1.889 20 0 EDADLP FC(F)(F)Cn1nnnc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294682 453016329 /nfs/dbraw/zinc/01/63/29/453016329.db2.gz RTIMZPDBJUBZCQ-LBPRGKRZSA-N 2 2 332.374 1.447 20 0 EDADLP FC(F)(F)Cn1nnnc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294682 453016339 /nfs/dbraw/zinc/01/63/39/453016339.db2.gz RTIMZPDBJUBZCQ-LBPRGKRZSA-N 2 2 332.374 1.447 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316717 453032660 /nfs/dbraw/zinc/03/26/60/453032660.db2.gz MGENDJCJEONMEK-QGZVFWFLSA-N 2 2 349.475 1.354 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316717 453032668 /nfs/dbraw/zinc/03/26/68/453032668.db2.gz MGENDJCJEONMEK-QGZVFWFLSA-N 2 2 349.475 1.354 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)CCO1 ZINC000662323574 453040440 /nfs/dbraw/zinc/04/04/40/453040440.db2.gz NYLILQAMOLEANN-AEFFLSMTSA-N 2 2 331.460 1.983 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)CCO1 ZINC000662323574 453040444 /nfs/dbraw/zinc/04/04/44/453040444.db2.gz NYLILQAMOLEANN-AEFFLSMTSA-N 2 2 331.460 1.983 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CCO1 ZINC000662326085 453042756 /nfs/dbraw/zinc/04/27/56/453042756.db2.gz NCMYNLITCXHQFR-ROUUACIJSA-N 2 2 349.450 1.974 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CCO1 ZINC000662326085 453042771 /nfs/dbraw/zinc/04/27/71/453042771.db2.gz NCMYNLITCXHQFR-ROUUACIJSA-N 2 2 349.450 1.974 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000666671083 453056714 /nfs/dbraw/zinc/05/67/14/453056714.db2.gz WPWOKPGHFJVMMJ-UHFFFAOYSA-N 2 2 325.461 1.038 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000666671083 453056717 /nfs/dbraw/zinc/05/67/17/453056717.db2.gz WPWOKPGHFJVMMJ-UHFFFAOYSA-N 2 2 325.461 1.038 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C)[nH+]1 ZINC000654946538 453057019 /nfs/dbraw/zinc/05/70/19/453057019.db2.gz KUJMBEQYZCOSHW-HOTGVXAUSA-N 2 2 330.432 1.770 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C)[nH+]1 ZINC000654946538 453057028 /nfs/dbraw/zinc/05/70/28/453057028.db2.gz KUJMBEQYZCOSHW-HOTGVXAUSA-N 2 2 330.432 1.770 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662355141 453069069 /nfs/dbraw/zinc/06/90/69/453069069.db2.gz IYGOFCUFCJUJOK-SJORKVTESA-N 2 2 331.460 1.775 20 0 EDADLP CC(=O)c1nc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]c1C ZINC000660156383 453087353 /nfs/dbraw/zinc/08/73/53/453087353.db2.gz RNXPCPHRCJUSPH-WMLDXEAASA-N 2 2 347.507 1.421 20 0 EDADLP CC(=O)c1nc(CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]c1C ZINC000660156383 453087368 /nfs/dbraw/zinc/08/73/68/453087368.db2.gz RNXPCPHRCJUSPH-WMLDXEAASA-N 2 2 347.507 1.421 20 0 EDADLP CC(=O)c1[nH]c(CC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc1C ZINC000660156383 453087374 /nfs/dbraw/zinc/08/73/74/453087374.db2.gz RNXPCPHRCJUSPH-WMLDXEAASA-N 2 2 347.507 1.421 20 0 EDADLP CC(=O)c1[nH]c(CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc1C ZINC000660156383 453087380 /nfs/dbraw/zinc/08/73/80/453087380.db2.gz RNXPCPHRCJUSPH-WMLDXEAASA-N 2 2 347.507 1.421 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)[nH+]c12 ZINC000644177620 453104351 /nfs/dbraw/zinc/10/43/51/453104351.db2.gz RPSUOFVSPLIRPJ-LJQANCHMSA-N 2 2 341.459 1.922 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)[nH+]c12 ZINC000644177620 453104362 /nfs/dbraw/zinc/10/43/62/453104362.db2.gz RPSUOFVSPLIRPJ-LJQANCHMSA-N 2 2 341.459 1.922 20 0 EDADLP CCn1nnc(C)c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000648485355 453107546 /nfs/dbraw/zinc/10/75/46/453107546.db2.gz VUXYBELMSLXIOD-OAHLLOKOSA-N 2 2 329.452 1.754 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](CCn1cnc3ccccc3c1=O)CCO2 ZINC000646106075 453109355 /nfs/dbraw/zinc/10/93/55/453109355.db2.gz HRRRIKIDFPLVLO-UHFFFAOYSA-N 2 2 342.443 1.193 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](CCn1cnc3ccccc3c1=O)CCO2 ZINC000646106075 453109363 /nfs/dbraw/zinc/10/93/63/453109363.db2.gz HRRRIKIDFPLVLO-UHFFFAOYSA-N 2 2 342.443 1.193 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000662426784 453135136 /nfs/dbraw/zinc/13/51/36/453135136.db2.gz CGVDDXSAUDKPNE-INIZCTEOSA-N 3 2 338.540 1.672 20 0 EDADLP Cc1cccn2cc(CCNC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)[nH+]c12 ZINC000646138666 453148296 /nfs/dbraw/zinc/14/82/96/453148296.db2.gz PYBFGVGHWZIEPX-ZDUSSCGKSA-N 2 2 338.415 1.415 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000650982412 453161512 /nfs/dbraw/zinc/16/15/12/453161512.db2.gz CIFSDCOHOGONIR-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000650982412 453161519 /nfs/dbraw/zinc/16/15/19/453161519.db2.gz CIFSDCOHOGONIR-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000650982412 453161525 /nfs/dbraw/zinc/16/15/25/453161525.db2.gz CIFSDCOHOGONIR-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000650982412 453161532 /nfs/dbraw/zinc/16/15/32/453161532.db2.gz CIFSDCOHOGONIR-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2C(C)(C)C2(F)F)CC1 ZINC000664538823 453178426 /nfs/dbraw/zinc/17/84/26/453178426.db2.gz HRRJZMREKMBAIE-CYBMUJFWSA-N 2 2 332.439 1.603 20 0 EDADLP CC[C@@H](COCC1CC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537921 453178792 /nfs/dbraw/zinc/17/87/92/453178792.db2.gz URWSJXWWEZOONT-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000660292774 453180218 /nfs/dbraw/zinc/18/02/18/453180218.db2.gz SFKCCWHQVZEAOG-UHFFFAOYSA-N 2 2 327.432 1.634 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000651012189 453186674 /nfs/dbraw/zinc/18/66/74/453186674.db2.gz KITBVHWVCGQAMF-MRXNPFEDSA-N 2 2 332.448 1.085 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660346130 453235224 /nfs/dbraw/zinc/23/52/24/453235224.db2.gz QRVMOBAVVGGZQS-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000660346130 453235233 /nfs/dbraw/zinc/23/52/33/453235233.db2.gz QRVMOBAVVGGZQS-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OCC ZINC000653058748 453235558 /nfs/dbraw/zinc/23/55/58/453235558.db2.gz DRLHERYPWYZAHC-HIFRSBDPSA-N 2 2 337.464 1.940 20 0 EDADLP CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653059065 453235573 /nfs/dbraw/zinc/23/55/73/453235573.db2.gz SAVYPJIWMOQTSK-OAHLLOKOSA-N 2 2 334.464 1.451 20 0 EDADLP Cc1c([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000653071546 453248652 /nfs/dbraw/zinc/24/86/52/453248652.db2.gz JZQRABSQKDXXLA-YVEFUNNKSA-N 2 2 347.438 1.776 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000648773292 453252521 /nfs/dbraw/zinc/25/25/21/453252521.db2.gz ARTDBRBRHREDEV-HNNXBMFYSA-N 2 2 344.463 1.475 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660378397 453256347 /nfs/dbraw/zinc/25/63/47/453256347.db2.gz GLWDHMXSEMTLRD-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000653077578 453257457 /nfs/dbraw/zinc/25/74/57/453257457.db2.gz DGYMQVBFERMLFE-GJZGRUSLSA-N 2 2 335.448 1.852 20 0 EDADLP Cc1cn2cc(NC(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)ccc2[nH+]1 ZINC000646256182 453260009 /nfs/dbraw/zinc/26/00/09/453260009.db2.gz NYILJSRCLBEFPV-CYBMUJFWSA-N 2 2 344.419 1.226 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000653082462 453262506 /nfs/dbraw/zinc/26/25/06/453262506.db2.gz VQSBIOARTPWWCG-HNNXBMFYSA-N 2 2 330.388 1.749 20 0 EDADLP C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)C1=CC[N@H+](C)CC1 ZINC000664631712 453268717 /nfs/dbraw/zinc/26/87/17/453268717.db2.gz ZUSZSJFQZYKQSG-UKRRQHHQSA-N 2 2 349.479 1.429 20 0 EDADLP C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)C1=CC[N@@H+](C)CC1 ZINC000664631712 453268726 /nfs/dbraw/zinc/26/87/26/453268726.db2.gz ZUSZSJFQZYKQSG-UKRRQHHQSA-N 2 2 349.479 1.429 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000653100734 453282990 /nfs/dbraw/zinc/28/29/90/453282990.db2.gz WVMJOIDUKBWRFN-ZWKOTPCHSA-N 2 2 333.476 1.516 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653106924 453289672 /nfs/dbraw/zinc/28/96/72/453289672.db2.gz QPNZLZWSCJBSAG-RTBURBONSA-N 2 2 345.487 1.874 20 0 EDADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653111132 453298326 /nfs/dbraw/zinc/29/83/26/453298326.db2.gz FMHRSEHFJYLELV-ZWKOTPCHSA-N 3 2 332.492 1.388 20 0 EDADLP CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000653113205 453299049 /nfs/dbraw/zinc/29/90/49/453299049.db2.gz WETFSSWSFCKQEM-NZSAHSFTSA-N 3 2 346.519 1.949 20 0 EDADLP CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000653113205 453299054 /nfs/dbraw/zinc/29/90/54/453299054.db2.gz WETFSSWSFCKQEM-NZSAHSFTSA-N 3 2 346.519 1.949 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000653113387 453299495 /nfs/dbraw/zinc/29/94/95/453299495.db2.gz AUBARHFNBPUEOO-HOCLYGCPSA-N 3 2 338.521 1.355 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000653113387 453299503 /nfs/dbraw/zinc/29/95/03/453299503.db2.gz AUBARHFNBPUEOO-HOCLYGCPSA-N 3 2 338.521 1.355 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000653113386 453299642 /nfs/dbraw/zinc/29/96/42/453299642.db2.gz AUBARHFNBPUEOO-GOEBONIOSA-N 3 2 338.521 1.355 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000653113386 453299652 /nfs/dbraw/zinc/29/96/52/453299652.db2.gz AUBARHFNBPUEOO-GOEBONIOSA-N 3 2 338.521 1.355 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000653119498 453308798 /nfs/dbraw/zinc/30/87/98/453308798.db2.gz LUOOCULRXKARTJ-GOSISDBHSA-N 3 2 348.491 1.056 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000653120844 453309796 /nfs/dbraw/zinc/30/97/96/453309796.db2.gz CJEIPSFRIFPKNP-INIZCTEOSA-N 3 2 331.464 1.420 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000653123249 453314753 /nfs/dbraw/zinc/31/47/53/453314753.db2.gz SOLXWUAUZDGINC-INIZCTEOSA-N 2 2 346.500 1.824 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1csc(CCc2ccccc2)n1 ZINC000653123250 453314772 /nfs/dbraw/zinc/31/47/72/453314772.db2.gz SOLXWUAUZDGINC-MRXNPFEDSA-N 2 2 346.500 1.824 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000653124812 453319659 /nfs/dbraw/zinc/31/96/59/453319659.db2.gz HVZOSVZJNIQPHL-QGZVFWFLSA-N 3 2 336.524 1.443 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000653147812 453334007 /nfs/dbraw/zinc/33/40/07/453334007.db2.gz BCFORIZCYCRUJP-OAHLLOKOSA-N 2 2 339.867 1.989 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2cc(Br)ccc2C1 ZINC000653154672 453344542 /nfs/dbraw/zinc/34/45/42/453344542.db2.gz YEMFOHPIZQCUTH-AWEZNQCLSA-N 2 2 340.265 1.613 20 0 EDADLP C[C@@H]1C[C@H](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000653158196 453350996 /nfs/dbraw/zinc/35/09/96/453350996.db2.gz XIJJXWBTUQAQSC-NEWSRXKRSA-N 3 2 346.519 1.682 20 0 EDADLP C[C@@H]1C[C@H](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000653158196 453351001 /nfs/dbraw/zinc/35/10/01/453351001.db2.gz XIJJXWBTUQAQSC-NEWSRXKRSA-N 3 2 346.519 1.682 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000653158787 453351464 /nfs/dbraw/zinc/35/14/64/453351464.db2.gz LSSDEQYYKVWHLL-JQWIXIFHSA-N 2 2 339.308 1.963 20 0 EDADLP Cc1cc(C[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)n(-c2ccccc2)n1 ZINC000653168478 453359965 /nfs/dbraw/zinc/35/99/65/453359965.db2.gz CNNNEFJJXURYMN-KBXCAEBGSA-N 2 2 343.475 1.507 20 0 EDADLP O=C(N1CC[NH+](CCOc2ccccc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662665140 453380036 /nfs/dbraw/zinc/38/00/36/453380036.db2.gz DDPVCKLTYLBASD-UHFFFAOYSA-N 2 2 343.471 1.884 20 0 EDADLP Cc1cncc(CC[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000656711555 453385539 /nfs/dbraw/zinc/38/55/39/453385539.db2.gz LZDYSUZKDTYXCH-KRWDZBQOSA-N 2 2 339.443 1.945 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)c[nH+]2)C[C@H](C)O1 ZINC000662674346 453390249 /nfs/dbraw/zinc/39/02/49/453390249.db2.gz BMVVTHNZRKMZED-JKIFEVAISA-N 2 2 346.475 1.700 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cnn4c3CCC4)[nH+]c2)C1 ZINC000656770675 453443290 /nfs/dbraw/zinc/44/32/90/453443290.db2.gz LPMXXTFWLQPPJZ-INIZCTEOSA-N 2 2 326.448 1.977 20 0 EDADLP C[C@H](NC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000662720877 453445840 /nfs/dbraw/zinc/44/58/40/453445840.db2.gz MTZWXHBARFZYML-PGUXBMHVSA-N 2 2 327.375 1.190 20 0 EDADLP O=C([C@@H]1C[NH2+]CCO1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000646566506 453476215 /nfs/dbraw/zinc/47/62/15/453476215.db2.gz MBTRGVQDLCVRQH-INIZCTEOSA-N 2 2 328.416 1.332 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000660643420 453484661 /nfs/dbraw/zinc/48/46/61/453484661.db2.gz ZIEHFTMLWFYQCI-BRWVUGGUSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000660643420 453484665 /nfs/dbraw/zinc/48/46/65/453484665.db2.gz ZIEHFTMLWFYQCI-BRWVUGGUSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660657566 453492500 /nfs/dbraw/zinc/49/25/00/453492500.db2.gz YDIUSGGIDJQESB-FQEVSTJZSA-N 2 2 345.487 1.908 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657566 453492507 /nfs/dbraw/zinc/49/25/07/453492507.db2.gz YDIUSGGIDJQESB-FQEVSTJZSA-N 2 2 345.487 1.908 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657566 453492514 /nfs/dbraw/zinc/49/25/14/453492514.db2.gz YDIUSGGIDJQESB-FQEVSTJZSA-N 2 2 345.487 1.908 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657566 453492520 /nfs/dbraw/zinc/49/25/20/453492520.db2.gz YDIUSGGIDJQESB-FQEVSTJZSA-N 2 2 345.487 1.908 20 0 EDADLP O=C(C[NH2+]C1(CCO)CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000660681089 453508856 /nfs/dbraw/zinc/50/88/56/453508856.db2.gz VSDNUTCOUIAHAY-UHFFFAOYSA-N 2 2 345.487 1.616 20 0 EDADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC[N@@H+]1CCOC ZINC000667252992 453513916 /nfs/dbraw/zinc/51/39/16/453513916.db2.gz VGEVLXSBZFSOLA-LSDHHAIUSA-N 2 2 337.468 1.623 20 0 EDADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC[N@H+]1CCOC ZINC000667252992 453513919 /nfs/dbraw/zinc/51/39/19/453513919.db2.gz VGEVLXSBZFSOLA-LSDHHAIUSA-N 2 2 337.468 1.623 20 0 EDADLP Cc1cc(NC(=O)C(=O)N[C@H](C)c2[nH+]ccn2C)cn2cc[nH+]c12 ZINC000658921422 453538884 /nfs/dbraw/zinc/53/88/84/453538884.db2.gz BLJQHHFGRWXSES-LLVKDONJSA-N 2 2 326.360 1.192 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c[nH+]1 ZINC000665062045 453561980 /nfs/dbraw/zinc/56/19/80/453561980.db2.gz ADKTVCFSGSFALI-KRWDZBQOSA-N 2 2 332.448 1.439 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c[nH+]1 ZINC000665062045 453561985 /nfs/dbraw/zinc/56/19/85/453561985.db2.gz ADKTVCFSGSFALI-KRWDZBQOSA-N 2 2 332.448 1.439 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000660855543 453613559 /nfs/dbraw/zinc/61/35/59/453613559.db2.gz QHJVQJFYFYXQSF-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000660855543 453613563 /nfs/dbraw/zinc/61/35/63/453613563.db2.gz QHJVQJFYFYXQSF-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660855543 453613569 /nfs/dbraw/zinc/61/35/69/453613569.db2.gz QHJVQJFYFYXQSF-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000660855543 453613573 /nfs/dbraw/zinc/61/35/73/453613573.db2.gz QHJVQJFYFYXQSF-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000660855732 453613616 /nfs/dbraw/zinc/61/36/16/453613616.db2.gz FOTUHSREHLESLH-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1cn(C)nc1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000662970252 453630207 /nfs/dbraw/zinc/63/02/07/453630207.db2.gz HDQXBGNPCOCNSQ-INIZCTEOSA-N 2 2 338.415 1.482 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)[C@@H](C)CO1 ZINC000665270791 453630750 /nfs/dbraw/zinc/63/07/50/453630750.db2.gz AXFGCNLPUPFPFX-YLFCFFPRSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)[C@@H](C)CO1 ZINC000665270791 453630754 /nfs/dbraw/zinc/63/07/54/453630754.db2.gz AXFGCNLPUPFPFX-YLFCFFPRSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H](C)CO1 ZINC000665270791 453630758 /nfs/dbraw/zinc/63/07/58/453630758.db2.gz AXFGCNLPUPFPFX-YLFCFFPRSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H](C)CO1 ZINC000665270791 453630760 /nfs/dbraw/zinc/63/07/60/453630760.db2.gz AXFGCNLPUPFPFX-YLFCFFPRSA-N 2 2 338.496 1.412 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000665283225 453634424 /nfs/dbraw/zinc/63/44/24/453634424.db2.gz JKNUOVWPTJJESJ-XUVXKRRUSA-N 3 2 330.520 1.910 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000665283225 453634429 /nfs/dbraw/zinc/63/44/29/453634429.db2.gz JKNUOVWPTJJESJ-XUVXKRRUSA-N 3 2 330.520 1.910 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292090 453639263 /nfs/dbraw/zinc/63/92/63/453639263.db2.gz SGHPVHAPSTXGEM-CZUORRHYSA-N 3 2 342.447 1.036 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292090 453639267 /nfs/dbraw/zinc/63/92/67/453639267.db2.gz SGHPVHAPSTXGEM-CZUORRHYSA-N 3 2 342.447 1.036 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4cnccc4n3)C2)CC1 ZINC000665295126 453640194 /nfs/dbraw/zinc/64/01/94/453640194.db2.gz PRCMWQZVIVDDHC-OAHLLOKOSA-N 2 2 339.443 1.528 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4cnccc4n3)C2)CC1 ZINC000665295126 453640196 /nfs/dbraw/zinc/64/01/96/453640196.db2.gz PRCMWQZVIVDDHC-OAHLLOKOSA-N 2 2 339.443 1.528 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000659133930 453649734 /nfs/dbraw/zinc/64/97/34/453649734.db2.gz YFYQAWPGNQYKKP-CABCVRRESA-N 2 2 347.463 1.452 20 0 EDADLP CSc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657092017 453675461 /nfs/dbraw/zinc/67/54/61/453675461.db2.gz AAWMPDKFGFSMGH-UHFFFAOYSA-N 2 2 345.534 1.570 20 0 EDADLP CSc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657092017 453675463 /nfs/dbraw/zinc/67/54/63/453675463.db2.gz AAWMPDKFGFSMGH-UHFFFAOYSA-N 2 2 345.534 1.570 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000661011428 453681018 /nfs/dbraw/zinc/68/10/18/453681018.db2.gz XTPLAMGTULPGFY-KRWDZBQOSA-N 2 2 343.431 1.318 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000661011428 453681020 /nfs/dbraw/zinc/68/10/20/453681020.db2.gz XTPLAMGTULPGFY-KRWDZBQOSA-N 2 2 343.431 1.318 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000661011428 453681024 /nfs/dbraw/zinc/68/10/24/453681024.db2.gz XTPLAMGTULPGFY-KRWDZBQOSA-N 2 2 343.431 1.318 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000661011428 453681028 /nfs/dbraw/zinc/68/10/28/453681028.db2.gz XTPLAMGTULPGFY-KRWDZBQOSA-N 2 2 343.431 1.318 20 0 EDADLP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)nn2c1CCC2 ZINC000657292948 453758570 /nfs/dbraw/zinc/75/85/70/453758570.db2.gz GNSNMOAHJSENNO-UHFFFAOYSA-N 2 2 326.444 1.951 20 0 EDADLP Cc1nc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[nH]c1C ZINC000657311814 453764052 /nfs/dbraw/zinc/76/40/52/453764052.db2.gz VZYXORZLFVAGHQ-UHFFFAOYSA-N 2 2 341.459 1.704 20 0 EDADLP NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657369266 453776073 /nfs/dbraw/zinc/77/60/73/453776073.db2.gz BWKPBPKAPSPIRN-ZDUSSCGKSA-N 2 2 325.416 1.297 20 0 EDADLP CCOCC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663373056 453783340 /nfs/dbraw/zinc/78/33/40/453783340.db2.gz XHTAGHSAHJUKQY-OALUTQOASA-N 2 2 335.492 1.180 20 0 EDADLP CCOCC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663373056 453783344 /nfs/dbraw/zinc/78/33/44/453783344.db2.gz XHTAGHSAHJUKQY-OALUTQOASA-N 2 2 335.492 1.180 20 0 EDADLP C[NH+](C)CCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000663409976 453791744 /nfs/dbraw/zinc/79/17/44/453791744.db2.gz WBSAFGZWCHJOLR-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](C)CCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000663409976 453791745 /nfs/dbraw/zinc/79/17/45/453791745.db2.gz WBSAFGZWCHJOLR-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000663438645 453798772 /nfs/dbraw/zinc/79/87/72/453798772.db2.gz UKGXYEZEKADJGI-GOSISDBHSA-N 2 2 346.475 1.090 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000663438645 453798773 /nfs/dbraw/zinc/79/87/73/453798773.db2.gz UKGXYEZEKADJGI-GOSISDBHSA-N 2 2 346.475 1.090 20 0 EDADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512950 453813647 /nfs/dbraw/zinc/81/36/47/453813647.db2.gz HXGBFEYGABJRSA-HOTGVXAUSA-N 3 2 334.512 1.372 20 0 EDADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512950 453813649 /nfs/dbraw/zinc/81/36/49/453813649.db2.gz HXGBFEYGABJRSA-HOTGVXAUSA-N 3 2 334.512 1.372 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC34CCOCC4)C2)CC1 ZINC000683418431 486713741 /nfs/dbraw/zinc/71/37/41/486713741.db2.gz PAJPUFWXOLFMFK-OAHLLOKOSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC34CCOCC4)C2)CC1 ZINC000683418431 486713742 /nfs/dbraw/zinc/71/37/42/486713742.db2.gz PAJPUFWXOLFMFK-OAHLLOKOSA-N 2 2 336.480 1.119 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000676333072 486738561 /nfs/dbraw/zinc/73/85/61/486738561.db2.gz JZPSVTQRQHUOGH-QGTPRVQTSA-N 2 2 349.450 1.625 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000676333072 486738566 /nfs/dbraw/zinc/73/85/66/486738566.db2.gz JZPSVTQRQHUOGH-QGTPRVQTSA-N 2 2 349.450 1.625 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676333072 486738570 /nfs/dbraw/zinc/73/85/70/486738570.db2.gz JZPSVTQRQHUOGH-QGTPRVQTSA-N 2 2 349.450 1.625 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676333072 486738576 /nfs/dbraw/zinc/73/85/76/486738576.db2.gz JZPSVTQRQHUOGH-QGTPRVQTSA-N 2 2 349.450 1.625 20 0 EDADLP C[C@@H]1COCCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000676499106 486787899 /nfs/dbraw/zinc/78/78/99/486787899.db2.gz NACITXZWZXQEEU-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP CCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)nn1 ZINC000680536230 486803231 /nfs/dbraw/zinc/80/32/31/486803231.db2.gz MIFBMFWRGVWYGS-QGZVFWFLSA-N 2 2 345.491 1.588 20 0 EDADLP CCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)nn1 ZINC000680536230 486803234 /nfs/dbraw/zinc/80/32/34/486803234.db2.gz MIFBMFWRGVWYGS-QGZVFWFLSA-N 2 2 345.491 1.588 20 0 EDADLP CO[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(O)cc1 ZINC000683851124 486839819 /nfs/dbraw/zinc/83/98/19/486839819.db2.gz PZBJOTDIITUPJW-YJBOKZPZSA-N 2 2 347.459 1.364 20 0 EDADLP CO[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(O)cc1 ZINC000683851124 486839823 /nfs/dbraw/zinc/83/98/23/486839823.db2.gz PZBJOTDIITUPJW-YJBOKZPZSA-N 2 2 347.459 1.364 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667564701 486849398 /nfs/dbraw/zinc/84/93/98/486849398.db2.gz WKPNQIZKFXZKLC-IRXDYDNUSA-N 2 2 331.508 1.820 20 0 EDADLP C[C@H]1COCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000676711251 486850217 /nfs/dbraw/zinc/85/02/17/486850217.db2.gz FLFVXEYPDJXTHS-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@H]1COCCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000676711251 486850220 /nfs/dbraw/zinc/85/02/20/486850220.db2.gz FLFVXEYPDJXTHS-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000680827201 486861236 /nfs/dbraw/zinc/86/12/36/486861236.db2.gz LCIKQUINPVMLJH-UHFFFAOYSA-N 2 2 340.427 1.820 20 0 EDADLP C[C@H](Cn1cccn1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681211149 486973620 /nfs/dbraw/zinc/97/36/20/486973620.db2.gz QUWNLOUESUVAKV-NVXWUHKLSA-N 2 2 348.495 1.082 20 0 EDADLP C[C@H](Cn1cccn1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681211149 486973626 /nfs/dbraw/zinc/97/36/26/486973626.db2.gz QUWNLOUESUVAKV-NVXWUHKLSA-N 2 2 348.495 1.082 20 0 EDADLP CC[N@@H+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C[C@H]1C ZINC000677152969 486987193 /nfs/dbraw/zinc/98/71/93/486987193.db2.gz KSYVZIXPIOMMQC-LLVKDONJSA-N 2 2 331.420 1.760 20 0 EDADLP CC[N@H+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C[C@H]1C ZINC000677152969 486987196 /nfs/dbraw/zinc/98/71/96/486987196.db2.gz KSYVZIXPIOMMQC-LLVKDONJSA-N 2 2 331.420 1.760 20 0 EDADLP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000667862292 486994698 /nfs/dbraw/zinc/99/46/98/486994698.db2.gz RHGRXXJAVGITSA-AEFFLSMTSA-N 2 2 335.492 1.478 20 0 EDADLP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000667862292 486994703 /nfs/dbraw/zinc/99/47/03/486994703.db2.gz RHGRXXJAVGITSA-AEFFLSMTSA-N 2 2 335.492 1.478 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cn1 ZINC000681389739 487032014 /nfs/dbraw/zinc/03/20/14/487032014.db2.gz KPPPPHPTNZTWOP-ZBFHGGJFSA-N 2 2 338.883 1.792 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000684409103 487051787 /nfs/dbraw/zinc/05/17/87/487051787.db2.gz YTHSNJWEJDKKCC-LLVKDONJSA-N 2 2 334.370 1.976 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000684409103 487051793 /nfs/dbraw/zinc/05/17/93/487051793.db2.gz YTHSNJWEJDKKCC-LLVKDONJSA-N 2 2 334.370 1.976 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000684441976 487061857 /nfs/dbraw/zinc/06/18/57/487061857.db2.gz RXXNTFWAIPSRTF-GOSISDBHSA-N 2 2 333.451 1.950 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000684441976 487061863 /nfs/dbraw/zinc/06/18/63/487061863.db2.gz RXXNTFWAIPSRTF-GOSISDBHSA-N 2 2 333.451 1.950 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000684552577 487095909 /nfs/dbraw/zinc/09/59/09/487095909.db2.gz UZFQYLGHMZJPME-RDJZCZTQSA-N 2 2 333.480 1.330 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000684552577 487095913 /nfs/dbraw/zinc/09/59/13/487095913.db2.gz UZFQYLGHMZJPME-RDJZCZTQSA-N 2 2 333.480 1.330 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)cc2[nH+]1 ZINC000668162126 487124890 /nfs/dbraw/zinc/12/48/90/487124890.db2.gz PEZCCHPOBOTUEW-UONOGXRCSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)cc2[nH+]1 ZINC000668162126 487124895 /nfs/dbraw/zinc/12/48/95/487124895.db2.gz PEZCCHPOBOTUEW-UONOGXRCSA-N 2 2 331.420 1.562 20 0 EDADLP C[C@H]([C@H](C)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCOCC1 ZINC000673862755 487138367 /nfs/dbraw/zinc/13/83/67/487138367.db2.gz GERZTQWFKRCNPJ-UONOGXRCSA-N 2 2 344.419 1.498 20 0 EDADLP COCC1([N@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000677728041 487159045 /nfs/dbraw/zinc/15/90/45/487159045.db2.gz ADTHWGIJZQRUGY-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP COCC1([N@@H+](C)CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000677728041 487159047 /nfs/dbraw/zinc/15/90/47/487159047.db2.gz ADTHWGIJZQRUGY-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)NCC(F)(F)F ZINC000681826782 487188095 /nfs/dbraw/zinc/18/80/95/487188095.db2.gz BWTYQEHJDBIHBF-LLVKDONJSA-N 2 2 330.354 1.687 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)NCC(F)(F)F ZINC000681826782 487188098 /nfs/dbraw/zinc/18/80/98/487188098.db2.gz BWTYQEHJDBIHBF-LLVKDONJSA-N 2 2 330.354 1.687 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000684897154 487190064 /nfs/dbraw/zinc/19/00/64/487190064.db2.gz FBSXDSJXABOFCI-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCO1 ZINC000684897154 487190066 /nfs/dbraw/zinc/19/00/66/487190066.db2.gz FBSXDSJXABOFCI-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000678072739 487241221 /nfs/dbraw/zinc/24/12/21/487241221.db2.gz DQAMCEFSFMQCBM-UHFFFAOYSA-N 2 2 329.448 1.768 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081015 487243406 /nfs/dbraw/zinc/24/34/06/487243406.db2.gz KSYZOPRRFGJIRU-KRWDZBQOSA-N 2 2 331.460 1.918 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678081015 487243410 /nfs/dbraw/zinc/24/34/10/487243410.db2.gz KSYZOPRRFGJIRU-KRWDZBQOSA-N 2 2 331.460 1.918 20 0 EDADLP C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000678581923 487338937 /nfs/dbraw/zinc/33/89/37/487338937.db2.gz FEVOYUZEIQLOIN-HNNXBMFYSA-N 2 2 348.472 1.949 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000675186892 487385844 /nfs/dbraw/zinc/38/58/44/487385844.db2.gz YBXBWQBHWJSFMP-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000675186892 487385846 /nfs/dbraw/zinc/38/58/46/487385846.db2.gz YBXBWQBHWJSFMP-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000675278363 487394593 /nfs/dbraw/zinc/39/45/93/487394593.db2.gz HHSLGHBWZYCYTJ-KRWDZBQOSA-N 2 2 334.464 1.767 20 0 EDADLP C[N@@H+]1CC[C@@H](Cn2nnc([C@H]3C[NH+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712972 487409058 /nfs/dbraw/zinc/40/90/58/487409058.db2.gz UHIXJRMGOXHVOS-IAGOWNOFSA-N 2 2 342.447 1.198 20 0 EDADLP C[N@H+]1CC[C@@H](Cn2nnc([C@H]3C[NH+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712972 487409060 /nfs/dbraw/zinc/40/90/60/487409060.db2.gz UHIXJRMGOXHVOS-IAGOWNOFSA-N 2 2 342.447 1.198 20 0 EDADLP C[NH+]1CC[C@@H](Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712972 487409062 /nfs/dbraw/zinc/40/90/62/487409062.db2.gz UHIXJRMGOXHVOS-IAGOWNOFSA-N 2 2 342.447 1.198 20 0 EDADLP C[NH+]1CC[C@@H](Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000682712972 487409064 /nfs/dbraw/zinc/40/90/64/487409064.db2.gz UHIXJRMGOXHVOS-IAGOWNOFSA-N 2 2 342.447 1.198 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)[C@H]2C1 ZINC000679373345 487418596 /nfs/dbraw/zinc/41/85/96/487418596.db2.gz MNGSHSQKFZZTEV-QAPCUYQASA-N 2 2 328.460 1.738 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)[C@H]2C1 ZINC000679373345 487418598 /nfs/dbraw/zinc/41/85/98/487418598.db2.gz MNGSHSQKFZZTEV-QAPCUYQASA-N 2 2 328.460 1.738 20 0 EDADLP C[C@H]1N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000675651978 487432454 /nfs/dbraw/zinc/43/24/54/487432454.db2.gz UMPDFBAISKJJIT-HUUCEWRRSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H]1N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000675651978 487432455 /nfs/dbraw/zinc/43/24/55/487432455.db2.gz UMPDFBAISKJJIT-HUUCEWRRSA-N 2 2 338.496 1.364 20 0 EDADLP CSc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1F ZINC000675782274 487443862 /nfs/dbraw/zinc/44/38/62/487443862.db2.gz PVBZXYNWMTZPRM-LBPRGKRZSA-N 2 2 325.453 1.972 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000669542754 485528836 /nfs/dbraw/zinc/52/88/36/485528836.db2.gz CTVLLACWNDOCBO-JYJNAYRXSA-N 2 2 331.464 1.725 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000670987588 485613700 /nfs/dbraw/zinc/61/37/00/485613700.db2.gz XZIJOCZHSQSUHQ-SJLPKXTDSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000670987588 485613709 /nfs/dbraw/zinc/61/37/09/485613709.db2.gz XZIJOCZHSQSUHQ-SJLPKXTDSA-N 2 2 349.519 1.963 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000674675596 485833339 /nfs/dbraw/zinc/83/33/39/485833339.db2.gz CJXZZFISDKDUMB-UHFFFAOYSA-N 2 2 331.445 1.069 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000343386115 485931716 /nfs/dbraw/zinc/93/17/16/485931716.db2.gz FWULBSLWMYNRGP-RDTXWAMCSA-N 2 2 328.416 1.847 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000237379361 485979020 /nfs/dbraw/zinc/97/90/20/485979020.db2.gz YJSBFAGKRBEUOT-SJORKVTESA-N 2 2 347.459 1.475 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1F ZINC000269244168 486052033 /nfs/dbraw/zinc/05/20/33/486052033.db2.gz SKWZJESWHCEGNH-GUYCJALGSA-N 2 2 346.406 1.533 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669409002 486096741 /nfs/dbraw/zinc/09/67/41/486096741.db2.gz AHUBDYNRYYNBGD-HOCLYGCPSA-N 2 2 325.416 1.766 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3nn[nH]c3C2)CC1 ZINC000668791498 486200883 /nfs/dbraw/zinc/20/08/83/486200883.db2.gz NFJIOMXOMMTMJL-UHFFFAOYSA-N 2 2 340.475 1.895 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCc3nn[nH]c3C2)CC1 ZINC000668791498 486200889 /nfs/dbraw/zinc/20/08/89/486200889.db2.gz NFJIOMXOMMTMJL-UHFFFAOYSA-N 2 2 340.475 1.895 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC000668819010 486226700 /nfs/dbraw/zinc/22/67/00/486226700.db2.gz MLALUKCAWIAWFQ-QBPKDAKJSA-N 2 2 348.491 1.777 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC000668819010 486226708 /nfs/dbraw/zinc/22/67/08/486226708.db2.gz MLALUKCAWIAWFQ-QBPKDAKJSA-N 2 2 348.491 1.777 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000669491418 486263935 /nfs/dbraw/zinc/26/39/35/486263935.db2.gz YCWXAMVXJWLOTM-STQMWFEESA-N 2 2 330.423 1.547 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000669491418 486263939 /nfs/dbraw/zinc/26/39/39/486263939.db2.gz YCWXAMVXJWLOTM-STQMWFEESA-N 2 2 330.423 1.547 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000669511748 486294989 /nfs/dbraw/zinc/29/49/89/486294989.db2.gz DHMATBXBIQULAV-MRXNPFEDSA-N 2 2 329.448 1.969 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC[C@@H]1CCCC[NH2+]1 ZINC000668933679 486361181 /nfs/dbraw/zinc/36/11/81/486361181.db2.gz FEDUJRWIIXBJRR-KRWDZBQOSA-N 2 2 327.432 1.873 20 0 EDADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000672153284 486557649 /nfs/dbraw/zinc/55/76/49/486557649.db2.gz VJDMKIYTSGYNSF-RDJZCZTQSA-N 2 2 325.416 1.374 20 0 EDADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000672153284 486557651 /nfs/dbraw/zinc/55/76/51/486557651.db2.gz VJDMKIYTSGYNSF-RDJZCZTQSA-N 2 2 325.416 1.374 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000670076136 486599429 /nfs/dbraw/zinc/59/94/29/486599429.db2.gz SEUPNIMPCYZKPO-UHFFFAOYSA-N 2 2 335.452 1.192 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000132854944 491216994 /nfs/dbraw/zinc/21/69/94/491216994.db2.gz XPICJAHWBZNAHQ-GUYCJALGSA-N 2 2 345.447 1.363 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000132854944 491216998 /nfs/dbraw/zinc/21/69/98/491216998.db2.gz XPICJAHWBZNAHQ-GUYCJALGSA-N 2 2 345.447 1.363 20 0 EDADLP CN(C)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000120058387 490996768 /nfs/dbraw/zinc/99/67/68/490996768.db2.gz IJCXZGIDSBROSQ-GOSISDBHSA-N 2 2 331.508 1.750 20 0 EDADLP CN(C)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000120058387 490996769 /nfs/dbraw/zinc/99/67/69/490996769.db2.gz IJCXZGIDSBROSQ-GOSISDBHSA-N 2 2 331.508 1.750 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[NH+](C)C ZINC000120885965 490998308 /nfs/dbraw/zinc/99/83/08/490998308.db2.gz UFVWKVHVCIGMNW-AWEZNQCLSA-N 2 2 338.883 1.528 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1O ZINC000679408195 491011347 /nfs/dbraw/zinc/01/13/47/491011347.db2.gz AWAPJWXARNQUAJ-QGZVFWFLSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1O ZINC000679408195 491011349 /nfs/dbraw/zinc/01/13/49/491011349.db2.gz AWAPJWXARNQUAJ-QGZVFWFLSA-N 2 2 331.460 1.941 20 0 EDADLP C[NH+](C)C1(C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1 ZINC000669351246 491020033 /nfs/dbraw/zinc/02/00/33/491020033.db2.gz ZBGXXXAHEBJEFC-UHFFFAOYSA-N 2 2 346.475 1.346 20 0 EDADLP CN1CC[NH+](CCOc2ccc(NC(=O)C3([NH+](C)C)CC3)cc2)CC1 ZINC000669351246 491020034 /nfs/dbraw/zinc/02/00/34/491020034.db2.gz ZBGXXXAHEBJEFC-UHFFFAOYSA-N 2 2 346.475 1.346 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000340213609 534910353 /nfs/dbraw/zinc/91/03/53/534910353.db2.gz BUTFKDYTLDHVBR-HNNXBMFYSA-N 2 2 349.479 1.003 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000340213609 534910359 /nfs/dbraw/zinc/91/03/59/534910359.db2.gz BUTFKDYTLDHVBR-HNNXBMFYSA-N 2 2 349.479 1.003 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000263644589 536435517 /nfs/dbraw/zinc/43/55/17/536435517.db2.gz BUTFCVFFALNFSU-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000263644589 536435519 /nfs/dbraw/zinc/43/55/19/536435519.db2.gz BUTFCVFFALNFSU-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000263644589 536435522 /nfs/dbraw/zinc/43/55/22/536435522.db2.gz BUTFCVFFALNFSU-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263644589 536435525 /nfs/dbraw/zinc/43/55/25/536435525.db2.gz BUTFCVFFALNFSU-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173829238 528229614 /nfs/dbraw/zinc/22/96/14/528229614.db2.gz GXEJCRBJKBUXLH-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236681301 534935078 /nfs/dbraw/zinc/93/50/78/534935078.db2.gz AUIVQZGGUSSUKI-KRWDZBQOSA-N 2 2 333.476 1.769 20 0 EDADLP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236681301 534935085 /nfs/dbraw/zinc/93/50/85/534935085.db2.gz AUIVQZGGUSSUKI-KRWDZBQOSA-N 2 2 333.476 1.769 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(C)C ZINC000339611163 535066045 /nfs/dbraw/zinc/06/60/45/535066045.db2.gz AGRMGCDXCBJSSR-UHFFFAOYSA-N 2 2 349.479 1.351 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(C)C ZINC000339611163 535066048 /nfs/dbraw/zinc/06/60/48/535066048.db2.gz AGRMGCDXCBJSSR-UHFFFAOYSA-N 2 2 349.479 1.351 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236666499 535108415 /nfs/dbraw/zinc/10/84/15/535108415.db2.gz GIZVCZAWHNWEQI-QZTJIDSGSA-N 2 2 333.476 1.940 20 0 EDADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)CNC(=O)C[NH3+])c1 ZINC000347664535 535152092 /nfs/dbraw/zinc/15/20/92/535152092.db2.gz HOSXDSWOKVAFRW-UHFFFAOYSA-N 2 2 329.404 1.364 20 0 EDADLP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346818429 535690670 /nfs/dbraw/zinc/69/06/70/535690670.db2.gz GEYPTDIEJFPJDZ-WBVHZDCISA-N 2 2 336.432 1.567 20 0 EDADLP CCOC(=O)COc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346818429 535690675 /nfs/dbraw/zinc/69/06/75/535690675.db2.gz GEYPTDIEJFPJDZ-WBVHZDCISA-N 2 2 336.432 1.567 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N([C@H](C)C3CC3)C3CC3)C2)CC1 ZINC000247387891 535734842 /nfs/dbraw/zinc/73/48/42/535734842.db2.gz VIIXYVDGGSCGPH-VQIMIIECSA-N 2 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N([C@H](C)C3CC3)C3CC3)C2)CC1 ZINC000247387891 535734860 /nfs/dbraw/zinc/73/48/60/535734860.db2.gz VIIXYVDGGSCGPH-VQIMIIECSA-N 2 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3C)C2)CC1 ZINC000107372029 535734939 /nfs/dbraw/zinc/73/49/39/535734939.db2.gz WCBCCQMOVOWZTI-GOSISDBHSA-N 2 2 344.503 1.954 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3C)C2)CC1 ZINC000107372029 535734947 /nfs/dbraw/zinc/73/49/47/535734947.db2.gz WCBCCQMOVOWZTI-GOSISDBHSA-N 2 2 344.503 1.954 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)C2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263333769 535767473 /nfs/dbraw/zinc/76/74/73/535767473.db2.gz VQXMHAVLPQXVIT-LSDHHAIUSA-N 2 2 325.815 1.950 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)C2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263333769 535767474 /nfs/dbraw/zinc/76/74/74/535767474.db2.gz VQXMHAVLPQXVIT-LSDHHAIUSA-N 2 2 325.815 1.950 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000246230319 535839079 /nfs/dbraw/zinc/83/90/79/535839079.db2.gz HTHIMWNHIUSWMI-ZTFGCOKTSA-N 2 2 331.460 1.005 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C[C@@H](C)O ZINC000246230319 535839083 /nfs/dbraw/zinc/83/90/83/535839083.db2.gz HTHIMWNHIUSWMI-ZTFGCOKTSA-N 2 2 331.460 1.005 20 0 EDADLP C[NH2+][C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000262600253 536335674 /nfs/dbraw/zinc/33/56/74/536335674.db2.gz XQBSKODGCWMUOY-QGZVFWFLSA-N 2 2 338.415 1.242 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1c(F)cccc1F ZINC000352765902 536347389 /nfs/dbraw/zinc/34/73/89/536347389.db2.gz ALTYYZBVOBRARR-UHFFFAOYSA-N 2 2 340.418 1.473 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1c(F)cccc1F ZINC000352765902 536347390 /nfs/dbraw/zinc/34/73/90/536347390.db2.gz ALTYYZBVOBRARR-UHFFFAOYSA-N 2 2 340.418 1.473 20 0 EDADLP C[NH2+][C@H](C(=O)NCCn1c(C)[nH+]c2ccccc21)c1cnn(C)c1 ZINC000262565204 536382286 /nfs/dbraw/zinc/38/22/86/536382286.db2.gz RMUAUGCBBKEDOT-INIZCTEOSA-N 2 2 326.404 1.155 20 0 EDADLP C[NH2+][C@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cnn(C)c1 ZINC000262600250 536384976 /nfs/dbraw/zinc/38/49/76/536384976.db2.gz XQBSKODGCWMUOY-KRWDZBQOSA-N 2 2 338.415 1.242 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245463417 536582343 /nfs/dbraw/zinc/58/23/43/536582343.db2.gz XIGWIJNXSWDQGV-PKOBYXMFSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245463417 536582352 /nfs/dbraw/zinc/58/23/52/536582352.db2.gz XIGWIJNXSWDQGV-PKOBYXMFSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245463417 536582365 /nfs/dbraw/zinc/58/23/65/536582365.db2.gz XIGWIJNXSWDQGV-PKOBYXMFSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245463417 536582370 /nfs/dbraw/zinc/58/23/70/536582370.db2.gz XIGWIJNXSWDQGV-PKOBYXMFSA-N 2 2 347.503 1.982 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000726254563 578338388 /nfs/dbraw/zinc/33/83/88/578338388.db2.gz RAJZFSAWKSQFMQ-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000726254563 578338389 /nfs/dbraw/zinc/33/83/89/578338389.db2.gz RAJZFSAWKSQFMQ-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000726254650 578338594 /nfs/dbraw/zinc/33/85/94/578338594.db2.gz HOJOIAKQXIVWFQ-UKRRQHHQSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000726254650 578338595 /nfs/dbraw/zinc/33/85/95/578338595.db2.gz HOJOIAKQXIVWFQ-UKRRQHHQSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)CCO1 ZINC000726260038 578340653 /nfs/dbraw/zinc/34/06/53/578340653.db2.gz YOGVQNZXNOIHBZ-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)CCO1 ZINC000726260038 578340654 /nfs/dbraw/zinc/34/06/54/578340654.db2.gz YOGVQNZXNOIHBZ-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCO1 ZINC000726260038 578340655 /nfs/dbraw/zinc/34/06/55/578340655.db2.gz YOGVQNZXNOIHBZ-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCO1 ZINC000726260038 578340656 /nfs/dbraw/zinc/34/06/56/578340656.db2.gz YOGVQNZXNOIHBZ-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP O=C(CCCC[NH+]1CCCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000729371619 578565887 /nfs/dbraw/zinc/56/58/87/578565887.db2.gz NRNQZQMNGPKVAF-UHFFFAOYSA-N 2 2 349.479 1.420 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729683720 578587270 /nfs/dbraw/zinc/58/72/70/578587270.db2.gz YHSINLNBYKPFNQ-HUUCEWRRSA-N 2 2 335.496 1.562 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729683720 578587271 /nfs/dbraw/zinc/58/72/71/578587271.db2.gz YHSINLNBYKPFNQ-HUUCEWRRSA-N 2 2 335.496 1.562 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729683718 578587284 /nfs/dbraw/zinc/58/72/84/578587284.db2.gz YHSINLNBYKPFNQ-CABCVRRESA-N 2 2 335.496 1.562 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729683718 578587285 /nfs/dbraw/zinc/58/72/85/578587285.db2.gz YHSINLNBYKPFNQ-CABCVRRESA-N 2 2 335.496 1.562 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000729930375 578602852 /nfs/dbraw/zinc/60/28/52/578602852.db2.gz JCEBXAINHNIUAI-UHFFFAOYSA-N 2 2 345.487 1.811 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000729930375 578602853 /nfs/dbraw/zinc/60/28/53/578602853.db2.gz JCEBXAINHNIUAI-UHFFFAOYSA-N 2 2 345.487 1.811 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000729979654 578605348 /nfs/dbraw/zinc/60/53/48/578605348.db2.gz FTJILDNGMALPJN-OAHLLOKOSA-N 2 2 329.404 1.108 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000729979654 578605349 /nfs/dbraw/zinc/60/53/49/578605349.db2.gz FTJILDNGMALPJN-OAHLLOKOSA-N 2 2 329.404 1.108 20 0 EDADLP O=C1OCCN1CCC[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000733898294 578787655 /nfs/dbraw/zinc/78/76/55/578787655.db2.gz PTINTTGRASTMPZ-LJQANCHMSA-N 2 2 347.459 1.445 20 0 EDADLP O=C1OCCN1CCC[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000733898294 578787657 /nfs/dbraw/zinc/78/76/57/578787657.db2.gz PTINTTGRASTMPZ-LJQANCHMSA-N 2 2 347.459 1.445 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000761071587 580046365 /nfs/dbraw/zinc/04/63/65/580046365.db2.gz QCOVUXMHBKSNLY-ZWKOTPCHSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000761071587 580046366 /nfs/dbraw/zinc/04/63/66/580046366.db2.gz QCOVUXMHBKSNLY-ZWKOTPCHSA-N 2 2 344.503 1.528 20 0 EDADLP CN(C)c1nn(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(=S)s1 ZINC000738212262 579172979 /nfs/dbraw/zinc/17/29/79/579172979.db2.gz YHWHJEXYSCQALT-UHFFFAOYSA-N 2 2 345.538 1.740 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000738949414 579193167 /nfs/dbraw/zinc/19/31/67/579193167.db2.gz MYJDVLSLNANLKK-LSDHHAIUSA-N 2 2 329.404 1.397 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OC/C=C\COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745082738 579537118 /nfs/dbraw/zinc/53/71/18/579537118.db2.gz QVRUIHHFPVPWMF-ZJBFNYKTSA-N 2 2 338.448 1.598 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OC/C=C\COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745082738 579537119 /nfs/dbraw/zinc/53/71/19/579537119.db2.gz QVRUIHHFPVPWMF-ZJBFNYKTSA-N 2 2 338.448 1.598 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NCCC[NH+](C)C)CC2)cc1 ZINC000745253020 579542814 /nfs/dbraw/zinc/54/28/14/579542814.db2.gz GEPWQARGNZKAKY-UHFFFAOYSA-N 2 2 347.507 1.972 20 0 EDADLP C[NH+](C)CCCNC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000745253020 579542815 /nfs/dbraw/zinc/54/28/15/579542815.db2.gz GEPWQARGNZKAKY-UHFFFAOYSA-N 2 2 347.507 1.972 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943778 579567975 /nfs/dbraw/zinc/56/79/75/579567975.db2.gz KAGZGWRTTRCJOZ-HUUCEWRRSA-N 2 2 327.469 1.384 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943778 579567976 /nfs/dbraw/zinc/56/79/76/579567976.db2.gz KAGZGWRTTRCJOZ-HUUCEWRRSA-N 2 2 327.469 1.384 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000746313370 579586544 /nfs/dbraw/zinc/58/65/44/579586544.db2.gz FTQJDUSLQZYWPL-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000746313370 579586547 /nfs/dbraw/zinc/58/65/47/579586547.db2.gz FTQJDUSLQZYWPL-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000746313370 579586548 /nfs/dbraw/zinc/58/65/48/579586548.db2.gz FTQJDUSLQZYWPL-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000746313370 579586550 /nfs/dbraw/zinc/58/65/50/579586550.db2.gz FTQJDUSLQZYWPL-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000746725709 579608107 /nfs/dbraw/zinc/60/81/07/579608107.db2.gz JKTJLNIPNGRNNJ-ZDUSSCGKSA-N 2 2 345.403 1.435 20 0 EDADLP CC(C)COC[C@H](O)C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000749334107 579722162 /nfs/dbraw/zinc/72/21/62/579722162.db2.gz BHKYTQQARAWQED-CQSZACIVSA-N 2 2 329.510 1.519 20 0 EDADLP CC(C)COC[C@@H](O)C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000749334106 579722176 /nfs/dbraw/zinc/72/21/76/579722176.db2.gz BHKYTQQARAWQED-AWEZNQCLSA-N 2 2 329.510 1.519 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)c(N(C)C)[nH+]1 ZINC000750213418 579756021 /nfs/dbraw/zinc/75/60/21/579756021.db2.gz FVMAKMGRLPDJRC-UHFFFAOYSA-N 2 2 347.463 1.195 20 0 EDADLP C[C@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)[NH+]1CCSCC1 ZINC000750889456 579786069 /nfs/dbraw/zinc/78/60/69/579786069.db2.gz AVQHCAHOOAELHF-GFCCVEGCSA-N 2 2 335.464 1.612 20 0 EDADLP C[C@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)[NH+]1CCSCC1 ZINC000750889456 579786070 /nfs/dbraw/zinc/78/60/70/579786070.db2.gz AVQHCAHOOAELHF-GFCCVEGCSA-N 2 2 335.464 1.612 20 0 EDADLP OC[C@]1([NH2+]CCC2OCCCO2)CCC[N@H+](Cc2ccccc2)C1 ZINC000754651275 579908578 /nfs/dbraw/zinc/90/85/78/579908578.db2.gz JPSABGRYEPYOMT-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP OC[C@]1([NH2+]CCC2OCCCO2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000754651275 579908579 /nfs/dbraw/zinc/90/85/79/579908579.db2.gz JPSABGRYEPYOMT-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP C[NH+]1CCC([C@H]2CC[N@H+](Cn3nnn(-c4ccccc4)c3=O)C2)CC1 ZINC000755778091 579934760 /nfs/dbraw/zinc/93/47/60/579934760.db2.gz DLDWHCMLGUJVFI-INIZCTEOSA-N 2 2 342.447 1.050 20 0 EDADLP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3nnn(-c4ccccc4)c3=O)C2)CC1 ZINC000755778091 579934761 /nfs/dbraw/zinc/93/47/61/579934761.db2.gz DLDWHCMLGUJVFI-INIZCTEOSA-N 2 2 342.447 1.050 20 0 EDADLP OCc1nn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(=S)n1C1CC1 ZINC000758329312 579979990 /nfs/dbraw/zinc/97/99/90/579979990.db2.gz DRAGMKGOMWMMFQ-CYBMUJFWSA-N 2 2 334.449 1.732 20 0 EDADLP OCc1nn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(=S)n1C1CC1 ZINC000758329312 579979991 /nfs/dbraw/zinc/97/99/91/579979991.db2.gz DRAGMKGOMWMMFQ-CYBMUJFWSA-N 2 2 334.449 1.732 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nn2)CCCO1 ZINC000762479701 580075281 /nfs/dbraw/zinc/07/52/81/580075281.db2.gz IRBFXMXDMLHGBX-MRXNPFEDSA-N 2 2 329.448 1.858 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccccc3)nn2)CCCO1 ZINC000762479701 580075282 /nfs/dbraw/zinc/07/52/82/580075282.db2.gz IRBFXMXDMLHGBX-MRXNPFEDSA-N 2 2 329.448 1.858 20 0 EDADLP CCC[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000763341880 580098141 /nfs/dbraw/zinc/09/81/41/580098141.db2.gz VIRVBKBJWHJEST-RCCFBDPRSA-N 2 2 336.524 1.550 20 0 EDADLP CCC[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000763341880 580098142 /nfs/dbraw/zinc/09/81/42/580098142.db2.gz VIRVBKBJWHJEST-RCCFBDPRSA-N 2 2 336.524 1.550 20 0 EDADLP C[C@@H]1CN(c2nc(N3CCCC3)cc[nH+]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764189638 580114890 /nfs/dbraw/zinc/11/48/90/580114890.db2.gz YWJLNYAJEGRIDH-IAGOWNOFSA-N 2 2 344.507 1.539 20 0 EDADLP C[C@H]1CN(c2nc(N3CCCC3)cc[nH+]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764189630 580114940 /nfs/dbraw/zinc/11/49/40/580114940.db2.gz YWJLNYAJEGRIDH-DLBZAZTESA-N 2 2 344.507 1.539 20 0 EDADLP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000765455118 580142809 /nfs/dbraw/zinc/14/28/09/580142809.db2.gz APOSESCBSADWDZ-UHFFFAOYSA-N 2 2 342.443 1.890 20 0 EDADLP C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000766323564 580164612 /nfs/dbraw/zinc/16/46/12/580164612.db2.gz CWCYYOCYLQGQCU-AWEZNQCLSA-N 2 2 348.472 1.947 20 0 EDADLP Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c[nH+]1 ZINC000767948772 580203839 /nfs/dbraw/zinc/20/38/39/580203839.db2.gz UUDVPVOEGQSZGZ-INIZCTEOSA-N 2 2 332.448 1.885 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCCCC1 ZINC000771769092 580293307 /nfs/dbraw/zinc/29/33/07/580293307.db2.gz ORNTYDIOKHHSJJ-QGZVFWFLSA-N 2 2 345.491 1.783 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CN1CC[NH+]1CCOCC1 ZINC000773003252 580325023 /nfs/dbraw/zinc/32/50/23/580325023.db2.gz CEUPLNWXJSIRSJ-OKYOBFRVSA-N 2 2 349.519 1.868 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CN2CC(=O)N(C(C)C)C2=O)CC1 ZINC000773337672 580334631 /nfs/dbraw/zinc/33/46/31/580334631.db2.gz FWJWPPNMJHLVTB-UHFFFAOYSA-N 2 2 346.431 1.863 20 0 EDADLP CN(CCC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1cc[nH+]cc1 ZINC000779499955 580487298 /nfs/dbraw/zinc/48/72/98/580487298.db2.gz NGUXINZKNOZMDY-UHFFFAOYSA-N 2 2 336.399 1.805 20 0 EDADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000783249227 580596563 /nfs/dbraw/zinc/59/65/63/580596563.db2.gz AQBJDXOUPNAYPH-PMPSAXMXSA-N 2 2 331.464 1.670 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000783992093 580610823 /nfs/dbraw/zinc/61/08/23/580610823.db2.gz AEAXYKLBEPLOCU-NSHDSACASA-N 2 2 330.354 1.968 20 0 EDADLP CCNC(=O)C[C@@H]1CCCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000789518450 580748321 /nfs/dbraw/zinc/74/83/21/580748321.db2.gz GFMVXJRMRDUTHO-CABCVRRESA-N 2 2 347.463 1.074 20 0 EDADLP CCNC(=O)C[C@@H]1CCCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000789518450 580748322 /nfs/dbraw/zinc/74/83/22/580748322.db2.gz GFMVXJRMRDUTHO-CABCVRRESA-N 2 2 347.463 1.074 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3nnn(CC[NH+]4CCCC4)n3)C2)cc1 ZINC000789921619 580757037 /nfs/dbraw/zinc/75/70/37/580757037.db2.gz WNBSQQKGCANKRM-KRWDZBQOSA-N 2 2 342.447 1.342 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3nnn(CC[NH+]4CCCC4)n3)C2)cc1 ZINC000789921619 580757038 /nfs/dbraw/zinc/75/70/38/580757038.db2.gz WNBSQQKGCANKRM-KRWDZBQOSA-N 2 2 342.447 1.342 20 0 EDADLP CC[C@H](C)CC[C@@H](O)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793491865 580845646 /nfs/dbraw/zinc/84/56/46/580845646.db2.gz OQVPNUPNAIXSBD-LZLYRXPVSA-N 2 2 339.524 1.848 20 0 EDADLP CC[C@H](C)CC[C@@H](O)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793491865 580845647 /nfs/dbraw/zinc/84/56/47/580845647.db2.gz OQVPNUPNAIXSBD-LZLYRXPVSA-N 2 2 339.524 1.848 20 0 EDADLP CC[C@H](C)CC[C@H](O)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000793615547 580849024 /nfs/dbraw/zinc/84/90/24/580849024.db2.gz NVCMAMRLMAMNET-RDJZCZTQSA-N 2 2 327.513 1.706 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3occ4c3CCOC4)C2)CC1 ZINC000796384878 580952739 /nfs/dbraw/zinc/95/27/39/580952739.db2.gz ZIUSOGUOFWDANO-CQSZACIVSA-N 2 2 333.432 1.251 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3occ4c3CCOC4)C2)CC1 ZINC000796384878 580952740 /nfs/dbraw/zinc/95/27/40/580952740.db2.gz ZIUSOGUOFWDANO-CQSZACIVSA-N 2 2 333.432 1.251 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cn1 ZINC000799610738 581032755 /nfs/dbraw/zinc/03/27/55/581032755.db2.gz JEOAARXWYPHUDP-SFHVURJKSA-N 2 2 330.407 1.903 20 0 EDADLP Cc1nn(C)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1Cl ZINC000891834807 590644358 /nfs/dbraw/zinc/64/43/58/590644358.db2.gz VQYABEIYQCLTHM-UHFFFAOYSA-N 2 2 341.887 1.272 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)c1 ZINC000892019214 590749503 /nfs/dbraw/zinc/74/95/03/590749503.db2.gz PGMNCFCGFJCKJH-MSOLQXFVSA-N 2 2 348.491 1.478 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)c1 ZINC000892019214 590749506 /nfs/dbraw/zinc/74/95/06/590749506.db2.gz PGMNCFCGFJCKJH-MSOLQXFVSA-N 2 2 348.491 1.478 20 0 EDADLP C[C@@H]1C[N@H+](CCCOC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCO1 ZINC000893385253 590823576 /nfs/dbraw/zinc/82/35/76/590823576.db2.gz ATTRRJNCBQMBSG-CYBMUJFWSA-N 2 2 335.379 1.670 20 0 EDADLP C[C@@H]1C[N@@H+](CCCOC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCO1 ZINC000893385253 590823578 /nfs/dbraw/zinc/82/35/78/590823578.db2.gz ATTRRJNCBQMBSG-CYBMUJFWSA-N 2 2 335.379 1.670 20 0 EDADLP COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[N@@H+]1C ZINC000893582043 590985711 /nfs/dbraw/zinc/98/57/11/590985711.db2.gz XZVBVWQQWVLYDH-RHSMWYFYSA-N 2 2 344.371 1.060 20 0 EDADLP COC(=O)[C@@]1(C)C[C@@H](OC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[N@H+]1C ZINC000893582043 590985713 /nfs/dbraw/zinc/98/57/13/590985713.db2.gz XZVBVWQQWVLYDH-RHSMWYFYSA-N 2 2 344.371 1.060 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892513983 591054441 /nfs/dbraw/zinc/05/44/41/591054441.db2.gz RBMCBQRSLNXKEM-UONOGXRCSA-N 2 2 349.504 1.527 20 0 EDADLP COCCC1(NC(=O)NCCCNc2cccc[nH+]2)CC[NH2+]CC1 ZINC000891364281 591061357 /nfs/dbraw/zinc/06/13/57/591061357.db2.gz UHGGMXYPWPVVMQ-UHFFFAOYSA-N 2 2 335.452 1.342 20 0 EDADLP COCC[N@H+](CCO)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000893996208 591157863 /nfs/dbraw/zinc/15/78/63/591157863.db2.gz VPTMSBHULIIHAT-UHFFFAOYSA-N 2 2 346.374 1.510 20 0 EDADLP COCC[N@@H+](CCO)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000893996208 591157867 /nfs/dbraw/zinc/15/78/67/591157867.db2.gz VPTMSBHULIIHAT-UHFFFAOYSA-N 2 2 346.374 1.510 20 0 EDADLP COCCC1(NC(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]CC1 ZINC000891681069 591182396 /nfs/dbraw/zinc/18/23/96/591182396.db2.gz DYRKXJLFBBCXBA-UHFFFAOYSA-N 2 2 331.420 1.292 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(C(=O)OC)s2)C1 ZINC000894070476 591184629 /nfs/dbraw/zinc/18/46/29/591184629.db2.gz ATOBLCXQKSCVJG-ZDUSSCGKSA-N 2 2 341.477 1.862 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(C(=O)OC)s2)C1 ZINC000894070476 591184630 /nfs/dbraw/zinc/18/46/30/591184630.db2.gz ATOBLCXQKSCVJG-ZDUSSCGKSA-N 2 2 341.477 1.862 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(C(F)(F)F)nc1 ZINC000892819066 591193434 /nfs/dbraw/zinc/19/34/34/591193434.db2.gz BMMUHLBIGGHHBH-JQWIXIFHSA-N 2 2 345.369 1.446 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(C(F)(F)F)nc1 ZINC000892819066 591193437 /nfs/dbraw/zinc/19/34/37/591193437.db2.gz BMMUHLBIGGHHBH-JQWIXIFHSA-N 2 2 345.369 1.446 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)cn21 ZINC000891760257 591214500 /nfs/dbraw/zinc/21/45/00/591214500.db2.gz SCKZSCKLEBDUHI-QDMKHBRRSA-N 2 2 327.432 1.973 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895629505 591235942 /nfs/dbraw/zinc/23/59/42/591235942.db2.gz VDOYLEWQQYTKSA-INIZCTEOSA-N 2 2 330.432 1.019 20 0 EDADLP CSC1(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000895684465 591252549 /nfs/dbraw/zinc/25/25/49/591252549.db2.gz CSYJIXGMOALCDT-INIZCTEOSA-N 2 2 327.538 1.658 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000895684169 591252795 /nfs/dbraw/zinc/25/27/95/591252795.db2.gz AOKFMIIFPOLKHC-FQEVSTJZSA-N 2 2 346.519 1.709 20 0 EDADLP C[C@H]1CSCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021719 591257701 /nfs/dbraw/zinc/25/77/01/591257701.db2.gz GRNRPCPDPCFJLQ-LSDHHAIUSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@H]1CSCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021719 591257703 /nfs/dbraw/zinc/25/77/03/591257703.db2.gz GRNRPCPDPCFJLQ-LSDHHAIUSA-N 2 2 340.537 1.692 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)[nH]n1 ZINC000895952088 591311606 /nfs/dbraw/zinc/31/16/06/591311606.db2.gz VHPIISWUCTZIPU-GOSISDBHSA-N 2 2 339.443 1.922 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)[nH]n1 ZINC000895952088 591311609 /nfs/dbraw/zinc/31/16/09/591311609.db2.gz VHPIISWUCTZIPU-GOSISDBHSA-N 2 2 339.443 1.922 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCc2cn(C)c[nH+]2)cc1 ZINC000895976617 591314029 /nfs/dbraw/zinc/31/40/29/591314029.db2.gz IMLAFICVDFLPLJ-MRXNPFEDSA-N 2 2 343.431 1.502 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCc2cn(C)c[nH+]2)cc1 ZINC000895976617 591314033 /nfs/dbraw/zinc/31/40/33/591314033.db2.gz IMLAFICVDFLPLJ-MRXNPFEDSA-N 2 2 343.431 1.502 20 0 EDADLP COC(=O)COc1ccccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000894482209 591321699 /nfs/dbraw/zinc/32/16/99/591321699.db2.gz AHAFNKFSCKBBDO-HNNXBMFYSA-N 2 2 329.400 1.961 20 0 EDADLP COC(=O)COc1ccccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000894482209 591321701 /nfs/dbraw/zinc/32/17/01/591321701.db2.gz AHAFNKFSCKBBDO-HNNXBMFYSA-N 2 2 329.400 1.961 20 0 EDADLP COC(=O)COc1ccccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000894482211 591321721 /nfs/dbraw/zinc/32/17/21/591321721.db2.gz AHAFNKFSCKBBDO-OAHLLOKOSA-N 2 2 329.400 1.961 20 0 EDADLP COC(=O)COc1ccccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000894482211 591321723 /nfs/dbraw/zinc/32/17/23/591321723.db2.gz AHAFNKFSCKBBDO-OAHLLOKOSA-N 2 2 329.400 1.961 20 0 EDADLP COc1nccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1F ZINC000894475540 591322285 /nfs/dbraw/zinc/32/22/85/591322285.db2.gz YHJXAMJUSATHSH-SJPCQFCGSA-N 2 2 348.466 1.972 20 0 EDADLP COc1nccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1F ZINC000894475540 591322288 /nfs/dbraw/zinc/32/22/88/591322288.db2.gz YHJXAMJUSATHSH-SJPCQFCGSA-N 2 2 348.466 1.972 20 0 EDADLP CS[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000897376661 591354427 /nfs/dbraw/zinc/35/44/27/591354427.db2.gz BSISYTJYPINCOQ-LSDHHAIUSA-N 2 2 336.505 1.965 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000896138833 591359325 /nfs/dbraw/zinc/35/93/25/591359325.db2.gz UNJMIFWJBUNJMX-XJKSGUPXSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896138833 591359329 /nfs/dbraw/zinc/35/93/29/591359329.db2.gz UNJMIFWJBUNJMX-XJKSGUPXSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896138833 591359333 /nfs/dbraw/zinc/35/93/33/591359333.db2.gz UNJMIFWJBUNJMX-XJKSGUPXSA-N 2 2 335.452 1.017 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)c1 ZINC000898616014 591433971 /nfs/dbraw/zinc/43/39/71/591433971.db2.gz UAPMZSGUBVIDRM-UHFFFAOYSA-N 2 2 325.416 1.448 20 0 EDADLP Cc1ccc(NCCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)[nH+]c1 ZINC000896455962 591472334 /nfs/dbraw/zinc/47/23/34/591472334.db2.gz MBOSQHVBVWBDEZ-OAHLLOKOSA-N 2 2 342.447 1.913 20 0 EDADLP Cc1ccc(NCCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)[nH+]c1 ZINC000896455962 591472337 /nfs/dbraw/zinc/47/23/37/591472337.db2.gz MBOSQHVBVWBDEZ-OAHLLOKOSA-N 2 2 342.447 1.913 20 0 EDADLP CO[C@H](C[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1)[C@H]1CCOC1 ZINC000898720915 591484086 /nfs/dbraw/zinc/48/40/86/591484086.db2.gz OHRRJUNVAKXTFH-SDDRHHMPSA-N 2 2 344.253 1.602 20 0 EDADLP CC(=O)NCC[N@@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895079205 591571308 /nfs/dbraw/zinc/57/13/08/591571308.db2.gz PJAGXLVEZDMCSO-UHFFFAOYSA-N 2 2 343.374 1.638 20 0 EDADLP CC(=O)NCC[N@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895079205 591571313 /nfs/dbraw/zinc/57/13/13/591571313.db2.gz PJAGXLVEZDMCSO-UHFFFAOYSA-N 2 2 343.374 1.638 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000898888418 591579977 /nfs/dbraw/zinc/57/99/77/591579977.db2.gz OSYASOBEBPFIRL-HZPDHXFCSA-N 2 2 346.406 1.373 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000898888418 591579982 /nfs/dbraw/zinc/57/99/82/591579982.db2.gz OSYASOBEBPFIRL-HZPDHXFCSA-N 2 2 346.406 1.373 20 0 EDADLP CCO[C@@H](C[NH2+]C1CN(C(=O)OCc2ccccc2)C1)C[NH+](C)C ZINC000896880151 591645096 /nfs/dbraw/zinc/64/50/96/591645096.db2.gz OWKYZDMESKYSLL-KRWDZBQOSA-N 2 2 335.448 1.564 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1(F)F ZINC000895193384 591652608 /nfs/dbraw/zinc/65/26/08/591652608.db2.gz XFPLUDNNDIFGKU-MJBXVCDLSA-N 2 2 332.391 1.227 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1(F)F ZINC000895193384 591652611 /nfs/dbraw/zinc/65/26/11/591652611.db2.gz XFPLUDNNDIFGKU-MJBXVCDLSA-N 2 2 332.391 1.227 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CC1 ZINC000897049740 591729025 /nfs/dbraw/zinc/72/90/25/591729025.db2.gz JGVCVGZCBGVMIW-PHZGNYQRSA-N 2 2 340.464 1.676 20 0 EDADLP c1nc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc(N2CCOCC2)[nH+]1 ZINC000895571641 591804363 /nfs/dbraw/zinc/80/43/63/591804363.db2.gz KMNXCMPJNJWGKK-KBPBESRZSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc(N2CCOCC2)[nH+]1 ZINC000895571641 591804365 /nfs/dbraw/zinc/80/43/65/591804365.db2.gz KMNXCMPJNJWGKK-KBPBESRZSA-N 2 2 335.477 1.305 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C[C@@H](C)O1 ZINC000895568884 591809196 /nfs/dbraw/zinc/80/91/96/591809196.db2.gz XCMPIHIZXGFIQG-CPUCHLNUSA-N 2 2 349.479 1.406 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C[C@@H](C)O1 ZINC000895568884 591809200 /nfs/dbraw/zinc/80/92/00/591809200.db2.gz XCMPIHIZXGFIQG-CPUCHLNUSA-N 2 2 349.479 1.406 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900050987 591883792 /nfs/dbraw/zinc/88/37/92/591883792.db2.gz KMLBQWQRUOXZQU-SJORKVTESA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900050987 591883796 /nfs/dbraw/zinc/88/37/96/591883796.db2.gz KMLBQWQRUOXZQU-SJORKVTESA-N 2 2 344.459 1.551 20 0 EDADLP CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000898356331 591888206 /nfs/dbraw/zinc/88/82/06/591888206.db2.gz OCVAFAMUDKWCJI-HOCLYGCPSA-N 2 2 348.447 1.089 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900076008 591888973 /nfs/dbraw/zinc/88/89/73/591888973.db2.gz FOTRGUGRYVUIRV-PKOBYXMFSA-N 2 2 349.450 1.315 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900076008 591888974 /nfs/dbraw/zinc/88/89/74/591888974.db2.gz FOTRGUGRYVUIRV-PKOBYXMFSA-N 2 2 349.450 1.315 20 0 EDADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000900076008 591888976 /nfs/dbraw/zinc/88/89/76/591888976.db2.gz FOTRGUGRYVUIRV-PKOBYXMFSA-N 2 2 349.450 1.315 20 0 EDADLP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000900076008 591888978 /nfs/dbraw/zinc/88/89/78/591888978.db2.gz FOTRGUGRYVUIRV-PKOBYXMFSA-N 2 2 349.450 1.315 20 0 EDADLP COc1ccccc1[C@@H](O)Cn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1 ZINC000899729827 591924378 /nfs/dbraw/zinc/92/43/78/591924378.db2.gz CLMAZEMHJZKQMN-KRWDZBQOSA-N 2 2 345.447 1.204 20 0 EDADLP C/C(=C\C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900198222 591938206 /nfs/dbraw/zinc/93/82/06/591938206.db2.gz UVIHBAFNHIDPEB-QCUIPMNBSA-N 2 2 337.508 1.892 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000899811950 591947713 /nfs/dbraw/zinc/94/77/13/591947713.db2.gz ZYKKGKGCWUEOBM-HUUCEWRRSA-N 2 2 325.416 1.578 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1(O)CCOCC1 ZINC000899860787 591963161 /nfs/dbraw/zinc/96/31/61/591963161.db2.gz UAKXQDJLAZNLKY-ZWKOTPCHSA-N 2 2 334.460 1.316 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1CC[C@H](CCOC)C1=O ZINC000902333803 591980528 /nfs/dbraw/zinc/98/05/28/591980528.db2.gz OFGXVQXBKXMRIQ-HZPDHXFCSA-N 2 2 334.464 1.752 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1CC[C@H](CCOC)C1=O ZINC000902333803 591980530 /nfs/dbraw/zinc/98/05/30/591980530.db2.gz OFGXVQXBKXMRIQ-HZPDHXFCSA-N 2 2 334.464 1.752 20 0 EDADLP O=S(=O)(CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)N1CCCC1 ZINC000902454313 591998979 /nfs/dbraw/zinc/99/89/79/591998979.db2.gz SQWRYOXIMGTLIO-DLBZAZTESA-N 2 2 337.489 1.495 20 0 EDADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4C[NH2+]CCOC4)C[C@@H]3C2)cc1 ZINC000902516462 592009176 /nfs/dbraw/zinc/00/91/76/592009176.db2.gz DWNFABDUJZHEIN-MTQWCTHYSA-N 3 2 329.488 1.865 20 0 EDADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4C[NH2+]CCOC4)C[C@@H]3C2)cc1 ZINC000902516462 592009178 /nfs/dbraw/zinc/00/91/78/592009178.db2.gz DWNFABDUJZHEIN-MTQWCTHYSA-N 3 2 329.488 1.865 20 0 EDADLP CC(C)(C[NH3+])C1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000900409395 592010490 /nfs/dbraw/zinc/01/04/90/592010490.db2.gz NPKIZKHEQJNSHA-OAHLLOKOSA-N 2 2 347.507 1.887 20 0 EDADLP CC(C)(C[NH3+])C1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000900409395 592010493 /nfs/dbraw/zinc/01/04/93/592010493.db2.gz NPKIZKHEQJNSHA-OAHLLOKOSA-N 2 2 347.507 1.887 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[N@@H+]1CCc2ccccc2C1 ZINC000902741464 592055349 /nfs/dbraw/zinc/05/53/49/592055349.db2.gz SDCVNKZUDDYHPM-XHCJJCCMSA-N 2 2 342.483 1.809 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[N@H+]1CCc2ccccc2C1 ZINC000902741464 592055352 /nfs/dbraw/zinc/05/53/52/592055352.db2.gz SDCVNKZUDDYHPM-XHCJJCCMSA-N 2 2 342.483 1.809 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H]3CC[C@@H](C(F)(F)F)O3)nn2)CC1 ZINC000900582066 592058401 /nfs/dbraw/zinc/05/84/01/592058401.db2.gz GIRMTUDCARMJIV-KBPBESRZSA-N 2 2 347.385 1.572 20 0 EDADLP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000902785650 592059117 /nfs/dbraw/zinc/05/91/17/592059117.db2.gz HMIGNVCYRQIFQZ-ZACQAIPSSA-N 2 2 325.497 1.866 20 0 EDADLP CCO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000902785650 592059120 /nfs/dbraw/zinc/05/91/20/592059120.db2.gz HMIGNVCYRQIFQZ-ZACQAIPSSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cn(C)nn1 ZINC000902775017 592060586 /nfs/dbraw/zinc/06/05/86/592060586.db2.gz PYDPSWIOBUUSIU-OAHLLOKOSA-N 2 2 345.447 1.377 20 0 EDADLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cn(C)nn1 ZINC000902789692 592064451 /nfs/dbraw/zinc/06/44/51/592064451.db2.gz MDZMTCPQMBXHPG-QAPCUYQASA-N 2 2 328.464 1.454 20 0 EDADLP C/C(=C\C(=O)NCc1cn2cccc(C)c2[nH+]1)C[NH+]1CCOCC1 ZINC000900630098 592076918 /nfs/dbraw/zinc/07/69/18/592076918.db2.gz RDGLQNKOJATTOY-GXDHUFHOSA-N 2 2 328.416 1.537 20 0 EDADLP C/C(=C/C(=O)NCc1cn2cccc(C)c2[nH+]1)C[NH+]1CCOCC1 ZINC000900630099 592077015 /nfs/dbraw/zinc/07/70/15/592077015.db2.gz RDGLQNKOJATTOY-UVTDQMKNSA-N 2 2 328.416 1.537 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000900659426 592083598 /nfs/dbraw/zinc/08/35/98/592083598.db2.gz NDBRSGYNSKAWNM-MRXNPFEDSA-N 2 2 339.443 1.223 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000900659426 592083600 /nfs/dbraw/zinc/08/36/00/592083600.db2.gz NDBRSGYNSKAWNM-MRXNPFEDSA-N 2 2 339.443 1.223 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)CC1 ZINC000900673418 592090540 /nfs/dbraw/zinc/09/05/40/592090540.db2.gz FWQACDIBFHCBRI-JQHSSLGASA-N 3 2 334.508 1.288 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)CC1 ZINC000900673418 592090542 /nfs/dbraw/zinc/09/05/42/592090542.db2.gz FWQACDIBFHCBRI-JQHSSLGASA-N 3 2 334.508 1.288 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC000900673418 592090547 /nfs/dbraw/zinc/09/05/47/592090547.db2.gz FWQACDIBFHCBRI-JQHSSLGASA-N 3 2 334.508 1.288 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC000900673418 592090550 /nfs/dbraw/zinc/09/05/50/592090550.db2.gz FWQACDIBFHCBRI-JQHSSLGASA-N 3 2 334.508 1.288 20 0 EDADLP CCc1[nH+]c2ccccc2n1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900788416 592124235 /nfs/dbraw/zinc/12/42/35/592124235.db2.gz XDQQTDLQIWZKRP-SCLBCKFNSA-N 2 2 330.432 1.170 20 0 EDADLP CCc1[nH+]c2ccccc2n1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900788416 592124237 /nfs/dbraw/zinc/12/42/37/592124237.db2.gz XDQQTDLQIWZKRP-SCLBCKFNSA-N 2 2 330.432 1.170 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000903130592 592125264 /nfs/dbraw/zinc/12/52/64/592125264.db2.gz LATQNWNPMWUVOD-SJXGUFTOSA-N 2 2 333.480 1.694 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000903130592 592125267 /nfs/dbraw/zinc/12/52/67/592125267.db2.gz LATQNWNPMWUVOD-SJXGUFTOSA-N 2 2 333.480 1.694 20 0 EDADLP C[C@@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000903202058 592135137 /nfs/dbraw/zinc/13/51/37/592135137.db2.gz VKEMJVOQOVZFTH-GFCCVEGCSA-N 2 2 334.445 1.646 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000903252349 592147208 /nfs/dbraw/zinc/14/72/08/592147208.db2.gz AUHBTHDEQYGTCT-GDBMZVCRSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000903252349 592147210 /nfs/dbraw/zinc/14/72/10/592147210.db2.gz AUHBTHDEQYGTCT-GDBMZVCRSA-N 2 2 340.512 1.515 20 0 EDADLP c1ccc([C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C2CC2)nc1 ZINC000903339901 592156029 /nfs/dbraw/zinc/15/60/29/592156029.db2.gz OLXZUTGUFQSLRB-HXUWFJFHSA-N 2 2 344.503 1.919 20 0 EDADLP c1ccc([C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C2CC2)nc1 ZINC000903339901 592156031 /nfs/dbraw/zinc/15/60/31/592156031.db2.gz OLXZUTGUFQSLRB-HXUWFJFHSA-N 2 2 344.503 1.919 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426849 592167961 /nfs/dbraw/zinc/16/79/61/592167961.db2.gz PVJKQPJMUJGYOK-KGLIPLIRSA-N 2 2 333.432 1.574 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426849 592167963 /nfs/dbraw/zinc/16/79/63/592167963.db2.gz PVJKQPJMUJGYOK-KGLIPLIRSA-N 2 2 333.432 1.574 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485218 592178036 /nfs/dbraw/zinc/17/80/36/592178036.db2.gz KOMDCYAURPYPII-KRWDZBQOSA-N 2 2 349.450 1.927 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485383 592178169 /nfs/dbraw/zinc/17/81/69/592178169.db2.gz MSKSCYBVLQHQRC-RBSFLKMASA-N 2 2 336.480 1.655 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(Cc3[nH+]ccn3CC)CC2)C1 ZINC000906647664 592232812 /nfs/dbraw/zinc/23/28/12/592232812.db2.gz GUAFJTMLWCJULR-KRWDZBQOSA-N 2 2 347.507 1.669 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(Cc3[nH+]ccn3CC)CC2)C1 ZINC000906647664 592232816 /nfs/dbraw/zinc/23/28/16/592232816.db2.gz GUAFJTMLWCJULR-KRWDZBQOSA-N 2 2 347.507 1.669 20 0 EDADLP COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)nn1 ZINC000904345212 592235130 /nfs/dbraw/zinc/23/51/30/592235130.db2.gz ABTRROGMRLTZGZ-UONOGXRCSA-N 2 2 337.468 1.855 20 0 EDADLP COC(=O)c1cn([C@@H]2CCC[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C2)nn1 ZINC000904345212 592235133 /nfs/dbraw/zinc/23/51/33/592235133.db2.gz ABTRROGMRLTZGZ-UONOGXRCSA-N 2 2 337.468 1.855 20 0 EDADLP CC(C)(C)c1cc2n(n1)CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000904389704 592243333 /nfs/dbraw/zinc/24/33/33/592243333.db2.gz RHJZQKRQNLGDKK-AWEZNQCLSA-N 2 2 343.479 1.712 20 0 EDADLP CC(C)(C)c1cc2n(n1)CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000904389704 592243334 /nfs/dbraw/zinc/24/33/34/592243334.db2.gz RHJZQKRQNLGDKK-AWEZNQCLSA-N 2 2 343.479 1.712 20 0 EDADLP C[NH+](C)C1CC(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000908010526 592262643 /nfs/dbraw/zinc/26/26/43/592262643.db2.gz DOQYCIUHRGQQOX-UHFFFAOYSA-N 2 2 327.432 1.818 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000906661232 592269602 /nfs/dbraw/zinc/26/96/02/592269602.db2.gz QFIYTYNYDRJWJP-MRXNPFEDSA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000906661232 592269606 /nfs/dbraw/zinc/26/96/06/592269606.db2.gz QFIYTYNYDRJWJP-MRXNPFEDSA-N 3 2 336.524 1.536 20 0 EDADLP c1cn(-c2ccc(-c3noc([C@]45C[NH2+]C[C@H]4CCOC5)n3)cn2)c[nH+]1 ZINC000904528671 592280485 /nfs/dbraw/zinc/28/04/85/592280485.db2.gz BHWWYWUQWDEASG-DYVFJYSZSA-N 2 2 338.371 1.195 20 0 EDADLP C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719442 592281827 /nfs/dbraw/zinc/28/18/27/592281827.db2.gz ZQASYGMNZSZPLC-UGSOOPFHSA-N 2 2 328.416 1.536 20 0 EDADLP C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719442 592281831 /nfs/dbraw/zinc/28/18/31/592281831.db2.gz ZQASYGMNZSZPLC-UGSOOPFHSA-N 2 2 328.416 1.536 20 0 EDADLP Cc1cccn2cc(Cc3noc([C@@H]4C[C@H]5OCC[C@H]5[NH2+]4)n3)[nH+]c12 ZINC000904588716 592288032 /nfs/dbraw/zinc/28/80/32/592288032.db2.gz VWYJQQHAPBIIIP-HZSPNIEDSA-N 2 2 325.372 1.808 20 0 EDADLP O=C(CN1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000903733130 592288259 /nfs/dbraw/zinc/28/82/59/592288259.db2.gz KBXDGAJYAIVXGA-INIZCTEOSA-N 2 2 348.466 1.772 20 0 EDADLP O[C@@H](C[N@@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000903819149 592331956 /nfs/dbraw/zinc/33/19/56/592331956.db2.gz DDDOKOAJGXUYDM-INIZCTEOSA-N 2 2 326.387 1.843 20 0 EDADLP O[C@@H](C[N@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(F)c(F)c1 ZINC000903819149 592331961 /nfs/dbraw/zinc/33/19/61/592331961.db2.gz DDDOKOAJGXUYDM-INIZCTEOSA-N 2 2 326.387 1.843 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000901324816 592342687 /nfs/dbraw/zinc/34/26/87/592342687.db2.gz AMEOFZDKVUXTFV-UHFFFAOYSA-N 2 2 342.443 1.786 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000901324816 592342692 /nfs/dbraw/zinc/34/26/92/592342692.db2.gz AMEOFZDKVUXTFV-UHFFFAOYSA-N 2 2 342.443 1.786 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CCN2CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000903855401 592347359 /nfs/dbraw/zinc/34/73/59/592347359.db2.gz MOYDFADOBDFLLR-YJBOKZPZSA-N 2 2 348.516 1.206 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H]3CC[NH+](C)[C@@H](C)C3)co2)C1 ZINC000906798807 592349772 /nfs/dbraw/zinc/34/97/72/592349772.db2.gz PZCSUKVLXAFMEN-IHRRRGAJSA-N 2 2 336.436 1.108 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H]3CC[NH+](C)[C@@H](C)C3)co2)C1 ZINC000906798807 592349778 /nfs/dbraw/zinc/34/97/78/592349778.db2.gz PZCSUKVLXAFMEN-IHRRRGAJSA-N 2 2 336.436 1.108 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)co2)C1 ZINC000906798807 592349783 /nfs/dbraw/zinc/34/97/83/592349783.db2.gz PZCSUKVLXAFMEN-IHRRRGAJSA-N 2 2 336.436 1.108 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)co2)C1 ZINC000906798807 592349789 /nfs/dbraw/zinc/34/97/89/592349789.db2.gz PZCSUKVLXAFMEN-IHRRRGAJSA-N 2 2 336.436 1.108 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cnn1C ZINC000903878343 592359171 /nfs/dbraw/zinc/35/91/71/592359171.db2.gz GPVJVTGYJORCRU-VQIMIIECSA-N 2 2 328.460 1.919 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccccc3)C2)cnn1C ZINC000903878343 592359176 /nfs/dbraw/zinc/35/91/76/592359176.db2.gz GPVJVTGYJORCRU-VQIMIIECSA-N 2 2 328.460 1.919 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)CC1(O)CCCC1 ZINC000905052693 592381514 /nfs/dbraw/zinc/38/15/14/592381514.db2.gz TZUBKRHKXGMJEG-IBGZPJMESA-N 2 2 348.487 1.665 20 0 EDADLP CCOC(=O)[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)C1CCOCC1 ZINC000903917546 592390863 /nfs/dbraw/zinc/39/08/63/592390863.db2.gz ZPBTUIWBSUFSJW-SFHVURJKSA-N 2 2 332.444 1.780 20 0 EDADLP CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903940001 592391562 /nfs/dbraw/zinc/39/15/62/592391562.db2.gz SPXCRSMCEDDLMC-YPMHNXCESA-N 2 2 333.358 1.356 20 0 EDADLP CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903940001 592391567 /nfs/dbraw/zinc/39/15/67/592391567.db2.gz SPXCRSMCEDDLMC-YPMHNXCESA-N 2 2 333.358 1.356 20 0 EDADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc(OC)c1O ZINC000903970397 592396309 /nfs/dbraw/zinc/39/63/09/592396309.db2.gz WNGIXKBYVBQLFH-CQSZACIVSA-N 2 2 336.432 1.658 20 0 EDADLP Cn1c2ccc(C[NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)cc2sc1=O ZINC000903970517 592396512 /nfs/dbraw/zinc/39/65/12/592396512.db2.gz YHHBUNHJPWVJML-AWEZNQCLSA-N 2 2 347.484 1.848 20 0 EDADLP COCCOc1ccccc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974971 592398610 /nfs/dbraw/zinc/39/86/10/592398610.db2.gz XSVGMOOTDOQRJL-QGZVFWFLSA-N 2 2 334.460 1.960 20 0 EDADLP Cc1ccc([C@H](C[NH2+]C[C@H](O)C2(O)CCOCC2)[NH+]2CCCC2)cc1 ZINC000905074949 592403633 /nfs/dbraw/zinc/40/36/33/592403633.db2.gz GSRJMMFREDSDGJ-OALUTQOASA-N 2 2 348.487 1.624 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H]3C[C@@H](C)[NH+](C4CC4)C3)co2)C1 ZINC000906940928 592421050 /nfs/dbraw/zinc/42/10/50/592421050.db2.gz KNWOCYWTDSTUSH-IPYPFGDCSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H]3C[C@@H](C)[NH+](C4CC4)C3)co2)C1 ZINC000906940928 592421052 /nfs/dbraw/zinc/42/10/52/592421052.db2.gz KNWOCYWTDSTUSH-IPYPFGDCSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)co2)C1 ZINC000906940928 592421054 /nfs/dbraw/zinc/42/10/54/592421054.db2.gz KNWOCYWTDSTUSH-IPYPFGDCSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)co2)C1 ZINC000906940928 592421057 /nfs/dbraw/zinc/42/10/57/592421057.db2.gz KNWOCYWTDSTUSH-IPYPFGDCSA-N 2 2 348.447 1.250 20 0 EDADLP Cc1cc(CNC(=O)C2CN(C)CC[N@H+](C)C2)cc(N2CCCC2)[nH+]1 ZINC000908285817 592425920 /nfs/dbraw/zinc/42/59/20/592425920.db2.gz MFOLALQVSBPMOB-UHFFFAOYSA-N 2 2 345.491 1.100 20 0 EDADLP Cc1cc(CNC(=O)C2CN(C)CC[N@@H+](C)C2)cc(N2CCCC2)[nH+]1 ZINC000908285817 592425926 /nfs/dbraw/zinc/42/59/26/592425926.db2.gz MFOLALQVSBPMOB-UHFFFAOYSA-N 2 2 345.491 1.100 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000908288771 592426522 /nfs/dbraw/zinc/42/65/22/592426522.db2.gz YJNRXRSEMOZUMD-MRXNPFEDSA-N 2 2 336.480 1.279 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000908288771 592426526 /nfs/dbraw/zinc/42/65/26/592426526.db2.gz YJNRXRSEMOZUMD-MRXNPFEDSA-N 2 2 336.480 1.279 20 0 EDADLP O[C@H](CCC1(O)CCC1)C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000905345196 592500850 /nfs/dbraw/zinc/50/08/50/592500850.db2.gz MDNBLIZGUOOIFL-MOPGFXCFSA-N 2 2 348.487 1.051 20 0 EDADLP O[C@H](CCC1(O)CCC1)C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000905345196 592500851 /nfs/dbraw/zinc/50/08/51/592500851.db2.gz MDNBLIZGUOOIFL-MOPGFXCFSA-N 2 2 348.487 1.051 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC2(CCC2)CO1)C[N@@H+]1CCc2ccccc2C1 ZINC000905471970 592544765 /nfs/dbraw/zinc/54/47/65/592544765.db2.gz FEWQFBJTIJDAPO-MOPGFXCFSA-N 2 2 330.472 1.954 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC2(CCC2)CO1)C[N@H+]1CCc2ccccc2C1 ZINC000905471970 592544768 /nfs/dbraw/zinc/54/47/68/592544768.db2.gz FEWQFBJTIJDAPO-MOPGFXCFSA-N 2 2 330.472 1.954 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)n1 ZINC000905534320 592554493 /nfs/dbraw/zinc/55/44/93/592554493.db2.gz XSTUCHZVHJABCY-CVEARBPZSA-N 2 2 335.473 1.779 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+]Cc2cc(N(C)C)cc[nH+]2)cc1 ZINC000905526160 592561476 /nfs/dbraw/zinc/56/14/76/592561476.db2.gz SWHDYEIXKBZPOC-GOSISDBHSA-N 2 2 343.427 1.880 20 0 EDADLP CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905562712 592567279 /nfs/dbraw/zinc/56/72/79/592567279.db2.gz YHEKKHKVXWLGGE-MRXNPFEDSA-N 2 2 340.489 1.067 20 0 EDADLP CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905562712 592567282 /nfs/dbraw/zinc/56/72/82/592567282.db2.gz YHEKKHKVXWLGGE-MRXNPFEDSA-N 2 2 340.489 1.067 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C1CN(c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000905552152 592573635 /nfs/dbraw/zinc/57/36/35/592573635.db2.gz MQWOKTIPCJMMIG-INIZCTEOSA-N 2 2 343.393 1.939 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C1CN(c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000905552152 592573637 /nfs/dbraw/zinc/57/36/37/592573637.db2.gz MQWOKTIPCJMMIG-INIZCTEOSA-N 2 2 343.393 1.939 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@@H]2C[NH2+]CCC2(F)F)[nH+]cn1 ZINC000905679900 592610225 /nfs/dbraw/zinc/61/02/25/592610225.db2.gz ZBOQMSNEYHRVSX-RYUDHWBXSA-N 2 2 327.379 1.094 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@@H]2C[NH2+]CCC2(F)F)nc[nH+]1 ZINC000905679900 592610227 /nfs/dbraw/zinc/61/02/27/592610227.db2.gz ZBOQMSNEYHRVSX-RYUDHWBXSA-N 2 2 327.379 1.094 20 0 EDADLP CC[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000905908082 592676848 /nfs/dbraw/zinc/67/68/48/592676848.db2.gz YSROFUZYNIFBDX-HSALFYBXSA-N 2 2 348.487 1.315 20 0 EDADLP CC[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000905908082 592676852 /nfs/dbraw/zinc/67/68/52/592676852.db2.gz YSROFUZYNIFBDX-HSALFYBXSA-N 2 2 348.487 1.315 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000905919098 592682600 /nfs/dbraw/zinc/68/26/00/592682600.db2.gz KAVPNAJLIGHECX-XGXHKWSGSA-N 2 2 334.460 1.314 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000905919098 592682602 /nfs/dbraw/zinc/68/26/02/592682602.db2.gz KAVPNAJLIGHECX-XGXHKWSGSA-N 2 2 334.460 1.314 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907650793 592743352 /nfs/dbraw/zinc/74/33/52/592743352.db2.gz LVRYZBKJKSKTKD-UHFFFAOYSA-N 2 2 336.480 1.234 20 0 EDADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(Cc3ncon3)nn2)CC1 ZINC000906267379 592779145 /nfs/dbraw/zinc/77/91/45/592779145.db2.gz UOKMMUPCWQBRHO-UHFFFAOYSA-N 2 2 333.440 1.262 20 0 EDADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(Cc3ncon3)nn2)CC1 ZINC000906267379 592779146 /nfs/dbraw/zinc/77/91/46/592779146.db2.gz UOKMMUPCWQBRHO-UHFFFAOYSA-N 2 2 333.440 1.262 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906355812 592803500 /nfs/dbraw/zinc/80/35/00/592803500.db2.gz KOZUMWYYYUEBKQ-UHFFFAOYSA-N 2 2 345.447 1.145 20 0 EDADLP CC[NH+]1CCC(CNC(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906393843 592808529 /nfs/dbraw/zinc/80/85/29/592808529.db2.gz MQUOGEURKMDVDU-UHFFFAOYSA-N 2 2 348.491 1.282 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906447932 592823977 /nfs/dbraw/zinc/82/39/77/592823977.db2.gz INVLOXMHFSXKBU-KRWDZBQOSA-N 2 2 348.491 1.282 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906447932 592823979 /nfs/dbraw/zinc/82/39/79/592823979.db2.gz INVLOXMHFSXKBU-KRWDZBQOSA-N 2 2 348.491 1.282 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C)[nH+]1 ZINC000906559978 592844665 /nfs/dbraw/zinc/84/46/65/592844665.db2.gz GAJZHJPEIQGMEC-UHFFFAOYSA-N 2 2 344.459 1.387 20 0 EDADLP C[N@H+](CCNC(=O)c1cccn1CC[NH+]1CCOCC1)C1CCCC1 ZINC000906581084 592857433 /nfs/dbraw/zinc/85/74/33/592857433.db2.gz JSYKJDIMHSPFDT-UHFFFAOYSA-N 2 2 348.491 1.425 20 0 EDADLP C[N@@H+](CCNC(=O)c1cccn1CC[NH+]1CCOCC1)C1CCCC1 ZINC000906581084 592857434 /nfs/dbraw/zinc/85/74/34/592857434.db2.gz JSYKJDIMHSPFDT-UHFFFAOYSA-N 2 2 348.491 1.425 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1c1c[nH+]cn1C ZINC000910841491 592895831 /nfs/dbraw/zinc/89/58/31/592895831.db2.gz LACGWGYTLIRIDC-HUUCEWRRSA-N 2 2 347.463 1.026 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1c1c[nH+]cn1C ZINC000910841491 592895832 /nfs/dbraw/zinc/89/58/32/592895832.db2.gz LACGWGYTLIRIDC-HUUCEWRRSA-N 2 2 347.463 1.026 20 0 EDADLP CC(C)[C@H](NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000911237048 592964577 /nfs/dbraw/zinc/96/45/77/592964577.db2.gz DKMXBDKFPHBIMV-KRWDZBQOSA-N 2 2 346.475 1.039 20 0 EDADLP Cc1cc(Br)c(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000911875157 593029152 /nfs/dbraw/zinc/02/91/52/593029152.db2.gz JSJMIZYIFOBYMJ-SNVBAGLBSA-N 2 2 346.294 1.463 20 0 EDADLP Cc1cc(Br)c(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000911875157 593029154 /nfs/dbraw/zinc/02/91/54/593029154.db2.gz JSJMIZYIFOBYMJ-SNVBAGLBSA-N 2 2 346.294 1.463 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)C2 ZINC000912588977 593106742 /nfs/dbraw/zinc/10/67/42/593106742.db2.gz PYWJOTMAMJKYBS-OAHLLOKOSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)CC2 ZINC000912588977 593106743 /nfs/dbraw/zinc/10/67/43/593106743.db2.gz PYWJOTMAMJKYBS-OAHLLOKOSA-N 2 2 348.491 1.422 20 0 EDADLP O=C(OCCCn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000783832810 593136323 /nfs/dbraw/zinc/13/63/23/593136323.db2.gz XGEMCLRDQLSPKM-KRWDZBQOSA-N 2 2 329.400 1.717 20 0 EDADLP O=C(OCCCn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000783832810 593136324 /nfs/dbraw/zinc/13/63/24/593136324.db2.gz XGEMCLRDQLSPKM-KRWDZBQOSA-N 2 2 329.400 1.717 20 0 EDADLP CC1=C(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)SCCO1 ZINC000807071840 593141707 /nfs/dbraw/zinc/14/17/07/593141707.db2.gz UFNOBCQRSVYKNS-OAHLLOKOSA-N 2 2 339.505 1.608 20 0 EDADLP CC1=C(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)SCCO1 ZINC000807071840 593141710 /nfs/dbraw/zinc/14/17/10/593141710.db2.gz UFNOBCQRSVYKNS-OAHLLOKOSA-N 2 2 339.505 1.608 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C[C@H](c4cccnc4)CC3=O)C2)C1 ZINC000840085975 593156887 /nfs/dbraw/zinc/15/68/87/593156887.db2.gz JFIBFRSJYCALSW-MJGOQNOKSA-N 2 2 328.460 1.773 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C[C@H](c4cccnc4)CC3=O)C2)C1 ZINC000840085975 593156889 /nfs/dbraw/zinc/15/68/89/593156889.db2.gz JFIBFRSJYCALSW-MJGOQNOKSA-N 2 2 328.460 1.773 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C[C@H](c4cccnc4)CC3=O)C2)C1 ZINC000840085975 593156891 /nfs/dbraw/zinc/15/68/91/593156891.db2.gz JFIBFRSJYCALSW-MJGOQNOKSA-N 2 2 328.460 1.773 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C[C@H](c4cccnc4)CC3=O)C2)C1 ZINC000840085975 593156894 /nfs/dbraw/zinc/15/68/94/593156894.db2.gz JFIBFRSJYCALSW-MJGOQNOKSA-N 2 2 328.460 1.773 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000838872003 593227994 /nfs/dbraw/zinc/22/79/94/593227994.db2.gz ZIQVJTQLRZRLOU-DZGCQCFKSA-N 2 2 338.452 1.577 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000838872003 593227995 /nfs/dbraw/zinc/22/79/95/593227995.db2.gz ZIQVJTQLRZRLOU-DZGCQCFKSA-N 2 2 338.452 1.577 20 0 EDADLP C[C@@]1(C2CCCC2)NC(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000802733662 593273776 /nfs/dbraw/zinc/27/37/76/593273776.db2.gz XCPDMCDRYCQGCC-YJBOKZPZSA-N 2 2 345.447 1.978 20 0 EDADLP C[C@@]1(C2CCCC2)NC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000802733662 593273777 /nfs/dbraw/zinc/27/37/77/593273777.db2.gz XCPDMCDRYCQGCC-YJBOKZPZSA-N 2 2 345.447 1.978 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000839526418 593314898 /nfs/dbraw/zinc/31/48/98/593314898.db2.gz GADZHLOECYIQEU-KRWDZBQOSA-N 2 2 331.460 1.788 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000839526418 593314901 /nfs/dbraw/zinc/31/49/01/593314901.db2.gz GADZHLOECYIQEU-KRWDZBQOSA-N 2 2 331.460 1.788 20 0 EDADLP C[C@@]12C(=O)N(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C(=O)[C@H]1[C@@H]1CC[C@H]2C1 ZINC000840002123 593331095 /nfs/dbraw/zinc/33/10/95/593331095.db2.gz FQIZUFANCQWIGE-TVEAVKIZSA-N 2 2 342.443 1.899 20 0 EDADLP C[C@@]12C(=O)N(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C(=O)[C@H]1[C@@H]1CC[C@H]2C1 ZINC000840002123 593331096 /nfs/dbraw/zinc/33/10/96/593331096.db2.gz FQIZUFANCQWIGE-TVEAVKIZSA-N 2 2 342.443 1.899 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCOC3(CCOCC3)CC2)s1 ZINC000809644624 593352091 /nfs/dbraw/zinc/35/20/91/593352091.db2.gz TYLCJKJPBZUDSH-UHFFFAOYSA-N 2 2 325.478 1.976 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCOC3(CCOCC3)CC2)s1 ZINC000809644624 593352094 /nfs/dbraw/zinc/35/20/94/593352094.db2.gz TYLCJKJPBZUDSH-UHFFFAOYSA-N 2 2 325.478 1.976 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000810218796 593389309 /nfs/dbraw/zinc/38/93/09/593389309.db2.gz BYBTWRPNQXDBDZ-SUMWQHHRSA-N 2 2 337.489 1.785 20 0 EDADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000810218796 593389313 /nfs/dbraw/zinc/38/93/13/593389313.db2.gz BYBTWRPNQXDBDZ-SUMWQHHRSA-N 2 2 337.489 1.785 20 0 EDADLP C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000805182775 593406317 /nfs/dbraw/zinc/40/63/17/593406317.db2.gz SALCVWRMJXNWMA-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811757933 593479380 /nfs/dbraw/zinc/47/93/80/593479380.db2.gz BSPBFJLRHKEXRF-HOTGVXAUSA-N 2 2 334.464 1.887 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811757933 593479381 /nfs/dbraw/zinc/47/93/81/593479381.db2.gz BSPBFJLRHKEXRF-HOTGVXAUSA-N 2 2 334.464 1.887 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)S1 ZINC000815072364 593613500 /nfs/dbraw/zinc/61/35/00/593613500.db2.gz JZSXWOMZGWIRQG-CZUORRHYSA-N 2 2 337.464 1.838 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819049280 593735700 /nfs/dbraw/zinc/73/57/00/593735700.db2.gz JFHGRGLSCJIEPM-SWLSCSKDSA-N 2 2 342.281 1.318 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819049280 593735701 /nfs/dbraw/zinc/73/57/01/593735701.db2.gz JFHGRGLSCJIEPM-SWLSCSKDSA-N 2 2 342.281 1.318 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)C1=O ZINC000819221044 593744949 /nfs/dbraw/zinc/74/49/49/593744949.db2.gz AONRJQJDEKKMEB-HZPDHXFCSA-N 2 2 346.406 1.373 20 0 EDADLP CCS(=O)(=O)CC[NH2+]c1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000819411493 593753685 /nfs/dbraw/zinc/75/36/85/593753685.db2.gz OOZNXVNTSJBUCO-UHFFFAOYSA-N 2 2 325.478 1.675 20 0 EDADLP CCS(=O)(=O)CC[NH2+]c1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000819411493 593753686 /nfs/dbraw/zinc/75/36/86/593753686.db2.gz OOZNXVNTSJBUCO-UHFFFAOYSA-N 2 2 325.478 1.675 20 0 EDADLP CN(c1ccc([NH2+]CCC(=O)NC(N)=O)cc1)C1CC[NH+](C)CC1 ZINC000819417675 593753836 /nfs/dbraw/zinc/75/38/36/593753836.db2.gz LXHYYYKCMZIECE-UHFFFAOYSA-N 2 2 333.436 1.214 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000820092478 593790220 /nfs/dbraw/zinc/79/02/20/593790220.db2.gz MJWUIAHFODQLHE-ZDUSSCGKSA-N 2 2 336.465 1.375 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000820092478 593790221 /nfs/dbraw/zinc/79/02/21/593790221.db2.gz MJWUIAHFODQLHE-ZDUSSCGKSA-N 2 2 336.465 1.375 20 0 EDADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000821587468 593870969 /nfs/dbraw/zinc/87/09/69/593870969.db2.gz YWSYXAOOZIOJBD-UHFFFAOYSA-N 2 2 342.403 1.690 20 0 EDADLP C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)C[NH+]1CCOCC1 ZINC000824427733 594009827 /nfs/dbraw/zinc/00/98/27/594009827.db2.gz NVOZMFDGBVHWAO-KBPBESRZSA-N 2 2 330.436 1.486 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000824958342 594105350 /nfs/dbraw/zinc/10/53/50/594105350.db2.gz WDHKGSGTCCQPSU-OLZOCXBDSA-N 2 2 339.402 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000824958342 594105351 /nfs/dbraw/zinc/10/53/51/594105351.db2.gz WDHKGSGTCCQPSU-OLZOCXBDSA-N 2 2 339.402 1.486 20 0 EDADLP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]([NH3+])COC)n3)cc2F)CC1 ZINC000822951982 594127838 /nfs/dbraw/zinc/12/78/38/594127838.db2.gz ZSUNSERJHKOAGA-AWEZNQCLSA-N 2 2 349.410 1.664 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC[NH2+]1 ZINC000825174359 594142018 /nfs/dbraw/zinc/14/20/18/594142018.db2.gz MLOCGAGSPLZPSU-NVXWUHKLSA-N 2 2 333.501 1.905 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC[NH2+]1 ZINC000825174359 594142019 /nfs/dbraw/zinc/14/20/19/594142019.db2.gz MLOCGAGSPLZPSU-NVXWUHKLSA-N 2 2 333.501 1.905 20 0 EDADLP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000825199263 594146644 /nfs/dbraw/zinc/14/66/44/594146644.db2.gz VFRSXKPDVQBRGR-QZTJIDSGSA-N 2 2 329.444 1.882 20 0 EDADLP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000825199263 594146646 /nfs/dbraw/zinc/14/66/46/594146646.db2.gz VFRSXKPDVQBRGR-QZTJIDSGSA-N 2 2 329.444 1.882 20 0 EDADLP C[NH+](C)CC(=O)Nc1cccc2c(NC(=O)C[NH+](C)C)cccc12 ZINC000830242001 594360903 /nfs/dbraw/zinc/36/09/03/594360903.db2.gz FSNZOLGLUREVRR-UHFFFAOYSA-N 2 2 328.416 1.840 20 0 EDADLP CC(C)(C)[NH2+]CCC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000828437620 594420505 /nfs/dbraw/zinc/42/05/05/594420505.db2.gz GQNFNRPJKAWXDJ-UHFFFAOYSA-N 2 2 341.496 1.687 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000830554436 594421323 /nfs/dbraw/zinc/42/13/23/594421323.db2.gz RBIIIGGJOAXSTK-INIZCTEOSA-N 2 2 346.475 1.216 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000830554436 594421326 /nfs/dbraw/zinc/42/13/26/594421326.db2.gz RBIIIGGJOAXSTK-INIZCTEOSA-N 2 2 346.475 1.216 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826515109 594512945 /nfs/dbraw/zinc/51/29/45/594512945.db2.gz NFHLCECEIYEJRC-IUODEOHRSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826515109 594512955 /nfs/dbraw/zinc/51/29/55/594512955.db2.gz NFHLCECEIYEJRC-IUODEOHRSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826515109 594512957 /nfs/dbraw/zinc/51/29/57/594512957.db2.gz NFHLCECEIYEJRC-IUODEOHRSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000826515109 594512960 /nfs/dbraw/zinc/51/29/60/594512960.db2.gz NFHLCECEIYEJRC-IUODEOHRSA-N 2 2 328.420 1.908 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC000826557688 594525239 /nfs/dbraw/zinc/52/52/39/594525239.db2.gz OGPKGNBQJFYGBF-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000826557688 594525240 /nfs/dbraw/zinc/52/52/40/594525240.db2.gz OGPKGNBQJFYGBF-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC000826557688 594525242 /nfs/dbraw/zinc/52/52/42/594525242.db2.gz OGPKGNBQJFYGBF-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC000826557688 594525244 /nfs/dbraw/zinc/52/52/44/594525244.db2.gz OGPKGNBQJFYGBF-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000826590087 594534197 /nfs/dbraw/zinc/53/41/97/594534197.db2.gz OQLYDCIGBRAYNR-ZWKOTPCHSA-N 2 2 331.460 1.264 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000826590087 594534199 /nfs/dbraw/zinc/53/41/99/594534199.db2.gz OQLYDCIGBRAYNR-ZWKOTPCHSA-N 2 2 331.460 1.264 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC000826590087 594534200 /nfs/dbraw/zinc/53/42/00/594534200.db2.gz OQLYDCIGBRAYNR-ZWKOTPCHSA-N 2 2 331.460 1.264 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC000826590087 594534202 /nfs/dbraw/zinc/53/42/02/594534202.db2.gz OQLYDCIGBRAYNR-ZWKOTPCHSA-N 2 2 331.460 1.264 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3([NH+](C)C)CC3)C2)cc1 ZINC000826591443 594534671 /nfs/dbraw/zinc/53/46/71/594534671.db2.gz ZZSNBKDRFYQCJN-KRWDZBQOSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C3([NH+](C)C)CC3)C2)cc1 ZINC000826591443 594534673 /nfs/dbraw/zinc/53/46/73/594534673.db2.gz ZZSNBKDRFYQCJN-KRWDZBQOSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000826605238 594538669 /nfs/dbraw/zinc/53/86/69/594538669.db2.gz OTLZVDHFFTYNFB-LJQANCHMSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000826605238 594538671 /nfs/dbraw/zinc/53/86/71/594538671.db2.gz OTLZVDHFFTYNFB-LJQANCHMSA-N 2 2 345.487 1.654 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1c[nH+]cn1C ZINC000826660080 594548536 /nfs/dbraw/zinc/54/85/36/594548536.db2.gz IPSUAUZTRSIQKK-SJLPKXTDSA-N 2 2 347.507 1.936 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)c1c[nH+]cn1C ZINC000826660080 594548537 /nfs/dbraw/zinc/54/85/37/594548537.db2.gz IPSUAUZTRSIQKK-SJLPKXTDSA-N 2 2 347.507 1.936 20 0 EDADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000826846237 594587404 /nfs/dbraw/zinc/58/74/04/594587404.db2.gz MRLVGENHJTXZRO-GFCCVEGCSA-N 2 2 345.365 1.824 20 0 EDADLP C[N@@H+]1C[C@H](C(=O)Nc2cc3n(n2)CC[NH+](C)C3)[C@@H](c2ccccc2)C1 ZINC000829398693 594607226 /nfs/dbraw/zinc/60/72/26/594607226.db2.gz ICRYUEUMACSTHS-SJORKVTESA-N 2 2 339.443 1.612 20 0 EDADLP C[N@H+]1C[C@H](C(=O)Nc2cc3n(n2)CC[NH+](C)C3)[C@@H](c2ccccc2)C1 ZINC000829398693 594607228 /nfs/dbraw/zinc/60/72/28/594607228.db2.gz ICRYUEUMACSTHS-SJORKVTESA-N 2 2 339.443 1.612 20 0 EDADLP C[NH+]1C[C@H](C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)[C@@H](c2ccccc2)C1 ZINC000829398693 594607229 /nfs/dbraw/zinc/60/72/29/594607229.db2.gz ICRYUEUMACSTHS-SJORKVTESA-N 2 2 339.443 1.612 20 0 EDADLP C[NH+]1C[C@H](C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)[C@@H](c2ccccc2)C1 ZINC000829398693 594607230 /nfs/dbraw/zinc/60/72/30/594607230.db2.gz ICRYUEUMACSTHS-SJORKVTESA-N 2 2 339.443 1.612 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)n1C ZINC000827061789 594632648 /nfs/dbraw/zinc/63/26/48/594632648.db2.gz SSVLBMASFNWRBN-ZDUSSCGKSA-N 2 2 336.436 1.597 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCc2c[nH+]ccc2OC)C[C@@H]1C ZINC000827102970 594641372 /nfs/dbraw/zinc/64/13/72/594641372.db2.gz AWOJGXWXYMSNEQ-OKILXGFUSA-N 2 2 336.436 1.341 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCc2c[nH+]ccc2OC)C[C@@H]1C ZINC000827102970 594641373 /nfs/dbraw/zinc/64/13/73/594641373.db2.gz AWOJGXWXYMSNEQ-OKILXGFUSA-N 2 2 336.436 1.341 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000827220529 594654032 /nfs/dbraw/zinc/65/40/32/594654032.db2.gz SMDUPDQRESUNQX-QXAKKESOSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1 ZINC000827220529 594654033 /nfs/dbraw/zinc/65/40/33/594654033.db2.gz SMDUPDQRESUNQX-QXAKKESOSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000827220529 594654034 /nfs/dbraw/zinc/65/40/34/594654034.db2.gz SMDUPDQRESUNQX-QXAKKESOSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000827220529 594654035 /nfs/dbraw/zinc/65/40/35/594654035.db2.gz SMDUPDQRESUNQX-QXAKKESOSA-N 2 2 343.471 1.822 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+]3CCOCC3)CC[C@H]21 ZINC000827312691 594660409 /nfs/dbraw/zinc/66/04/09/594660409.db2.gz WFDGXRAEQHJAOH-IEBWSBKVSA-N 2 2 343.471 1.685 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+]3CCOCC3)CC[C@H]21 ZINC000827312691 594660410 /nfs/dbraw/zinc/66/04/10/594660410.db2.gz WFDGXRAEQHJAOH-IEBWSBKVSA-N 2 2 343.471 1.685 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nccc4[nH]ccc43)C2)CC1 ZINC000827414147 594669615 /nfs/dbraw/zinc/66/96/15/594669615.db2.gz QEQNNPFAPXESBC-CYBMUJFWSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nccc4[nH]ccc43)C2)CC1 ZINC000827414147 594669616 /nfs/dbraw/zinc/66/96/16/594669616.db2.gz QEQNNPFAPXESBC-CYBMUJFWSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3[nH]cnc3C(F)(F)F)C2)CC1 ZINC000827413860 594669788 /nfs/dbraw/zinc/66/97/88/594669788.db2.gz NALKYERCEPVFPK-JTQLQIEISA-N 2 2 345.369 1.327 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3[nH]cnc3C(F)(F)F)C2)CC1 ZINC000827413860 594669789 /nfs/dbraw/zinc/66/97/89/594669789.db2.gz NALKYERCEPVFPK-JTQLQIEISA-N 2 2 345.369 1.327 20 0 EDADLP CCO[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C[NH+](C)C ZINC000831745237 594698824 /nfs/dbraw/zinc/69/88/24/594698824.db2.gz SHILARQKNNSWSS-IAGOWNOFSA-N 2 2 334.464 1.129 20 0 EDADLP CCO[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C[NH+](C)C ZINC000831745237 594698825 /nfs/dbraw/zinc/69/88/25/594698825.db2.gz SHILARQKNNSWSS-IAGOWNOFSA-N 2 2 334.464 1.129 20 0 EDADLP Cc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000840939254 594830184 /nfs/dbraw/zinc/83/01/84/594830184.db2.gz LOGIQIIRLRBPAT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000840939254 594830185 /nfs/dbraw/zinc/83/01/85/594830185.db2.gz LOGIQIIRLRBPAT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000840939254 594830186 /nfs/dbraw/zinc/83/01/86/594830186.db2.gz LOGIQIIRLRBPAT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000840939254 594830187 /nfs/dbraw/zinc/83/01/87/594830187.db2.gz LOGIQIIRLRBPAT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)nn1 ZINC000841099350 594850828 /nfs/dbraw/zinc/85/08/28/594850828.db2.gz IPGIUUIKDXXCSH-KRWDZBQOSA-N 2 2 338.419 1.155 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)nn1 ZINC000841099350 594850831 /nfs/dbraw/zinc/85/08/31/594850831.db2.gz IPGIUUIKDXXCSH-KRWDZBQOSA-N 2 2 338.419 1.155 20 0 EDADLP COc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)ccc1OC(=O)C1CC1 ZINC000841101257 594851118 /nfs/dbraw/zinc/85/11/18/594851118.db2.gz UKMMAMWQVPTOEB-HNNXBMFYSA-N 2 2 334.416 1.560 20 0 EDADLP COc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)ccc1OC(=O)C1CC1 ZINC000841101257 594851122 /nfs/dbraw/zinc/85/11/22/594851122.db2.gz UKMMAMWQVPTOEB-HNNXBMFYSA-N 2 2 334.416 1.560 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)N[C@H](C)CC[NH3+])c1[nH+]ccn1C ZINC000841670832 594933276 /nfs/dbraw/zinc/93/32/76/594933276.db2.gz WDJQSDLBCWVIPF-IUODEOHRSA-N 2 2 331.420 1.555 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000841672479 594933563 /nfs/dbraw/zinc/93/35/63/594933563.db2.gz GGMXHBMKCOHKQW-HUUCEWRRSA-N 2 2 328.420 1.584 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000841727920 594944720 /nfs/dbraw/zinc/94/47/20/594944720.db2.gz ZLRVWYLOQANAPB-MRXNPFEDSA-N 2 2 342.447 1.859 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)Nc2ccnn2CC[NH+](C)C)c1C ZINC000836699506 594989652 /nfs/dbraw/zinc/98/96/52/594989652.db2.gz GQLQDLROGPGSMP-UHFFFAOYSA-N 2 2 346.435 1.787 20 0 EDADLP Cc1nc([C@@H](C)ONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000842037809 595006727 /nfs/dbraw/zinc/00/67/27/595006727.db2.gz BGCBXWJAOSPPPG-DOMZBBRYSA-N 2 2 345.403 1.838 20 0 EDADLP Cc1nc([C@@H](C)ONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000842037809 595006728 /nfs/dbraw/zinc/00/67/28/595006728.db2.gz BGCBXWJAOSPPPG-DOMZBBRYSA-N 2 2 345.403 1.838 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843353885 595084586 /nfs/dbraw/zinc/08/45/86/595084586.db2.gz QAQPXLJNVOEZMY-ZBFHGGJFSA-N 2 2 346.475 1.680 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843353885 595084591 /nfs/dbraw/zinc/08/45/91/595084591.db2.gz QAQPXLJNVOEZMY-ZBFHGGJFSA-N 2 2 346.475 1.680 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000843355989 595085709 /nfs/dbraw/zinc/08/57/09/595085709.db2.gz PJLRVPZHQADLHZ-LJQANCHMSA-N 2 2 344.459 1.147 20 0 EDADLP CC(C)(C)c1ccc(NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000843384809 595095482 /nfs/dbraw/zinc/09/54/82/595095482.db2.gz AIIUJZVXWCEYSV-SFHVURJKSA-N 2 2 344.503 1.902 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842474941 595114565 /nfs/dbraw/zinc/11/45/65/595114565.db2.gz GTAJOROITSTXJV-KPZWWZAWSA-N 2 2 343.431 1.671 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842474941 595114567 /nfs/dbraw/zinc/11/45/67/595114567.db2.gz GTAJOROITSTXJV-KPZWWZAWSA-N 2 2 343.431 1.671 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CCCO1 ZINC000842479249 595116322 /nfs/dbraw/zinc/11/63/22/595116322.db2.gz RDDTUNQFHGJISM-INIZCTEOSA-N 2 2 328.412 1.831 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CCCO1 ZINC000842479249 595116323 /nfs/dbraw/zinc/11/63/23/595116323.db2.gz RDDTUNQFHGJISM-INIZCTEOSA-N 2 2 328.412 1.831 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000843491803 595129350 /nfs/dbraw/zinc/12/93/50/595129350.db2.gz JCDKTLJJJARSEY-HOCLYGCPSA-N 2 2 337.489 1.722 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000101665473 595200924 /nfs/dbraw/zinc/20/09/24/595200924.db2.gz HECJAPKKHQSXER-UHFFFAOYSA-N 3 2 347.507 1.647 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000101665473 595200927 /nfs/dbraw/zinc/20/09/27/595200927.db2.gz HECJAPKKHQSXER-UHFFFAOYSA-N 2 2 347.507 1.647 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H](O)c1c(F)cccc1F ZINC000843093627 595286207 /nfs/dbraw/zinc/28/62/07/595286207.db2.gz FYFBCIWBFXMHBU-YLQAJVPDSA-N 2 2 328.403 1.822 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](O)c1c(F)cccc1F ZINC000843093627 595286208 /nfs/dbraw/zinc/28/62/08/595286208.db2.gz FYFBCIWBFXMHBU-YLQAJVPDSA-N 2 2 328.403 1.822 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1[nH+]ccn1C ZINC000844167433 595289442 /nfs/dbraw/zinc/28/94/42/595289442.db2.gz HZYQFGJQUAAENY-XNISGKROSA-N 2 2 326.400 1.100 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000843119299 595291278 /nfs/dbraw/zinc/29/12/78/595291278.db2.gz WWKXEACQVZKAIO-UHFFFAOYSA-N 2 2 349.870 1.456 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 ZINC000846667825 595296464 /nfs/dbraw/zinc/29/64/64/595296464.db2.gz DRLLGVAKVQZACS-MRXNPFEDSA-N 2 2 328.416 1.114 20 0 EDADLP [NH3+]CCNC(=O)c1ccccc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846674550 595298530 /nfs/dbraw/zinc/29/85/30/595298530.db2.gz BENGDLLUFMOJGN-UHFFFAOYSA-N 2 2 341.415 1.089 20 0 EDADLP Cc1cccn2cc(Cc3noc(C[NH2+]C[C@@H]4CCCO4)n3)[nH+]c12 ZINC000843182500 595300385 /nfs/dbraw/zinc/30/03/85/595300385.db2.gz HEMNJNNKVRGXSA-AWEZNQCLSA-N 2 2 327.388 1.885 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000844224090 595307808 /nfs/dbraw/zinc/30/78/08/595307808.db2.gz FSBQTPDKHNNQDU-LSDHHAIUSA-N 2 2 345.491 1.679 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000844224090 595307811 /nfs/dbraw/zinc/30/78/11/595307811.db2.gz FSBQTPDKHNNQDU-LSDHHAIUSA-N 2 2 345.491 1.679 20 0 EDADLP COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000848546221 595404015 /nfs/dbraw/zinc/40/40/15/595404015.db2.gz VNRXVACBDMRCAT-YQQAZPJKSA-N 2 2 339.480 1.696 20 0 EDADLP NC(=O)OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848554400 595405098 /nfs/dbraw/zinc/40/50/98/595405098.db2.gz ZVHVBYKDAGJHLS-QZTJIDSGSA-N 2 2 347.459 1.950 20 0 EDADLP C/C(=C\c1cccnc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000847490016 595432950 /nfs/dbraw/zinc/43/29/50/595432950.db2.gz XDKHSAWICJTNEB-JQIJEIRASA-N 2 2 330.476 1.969 20 0 EDADLP C/C(=C\c1cccnc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000847490016 595432953 /nfs/dbraw/zinc/43/29/53/595432953.db2.gz XDKHSAWICJTNEB-JQIJEIRASA-N 2 2 330.476 1.969 20 0 EDADLP Cc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000848754559 595441022 /nfs/dbraw/zinc/44/10/22/595441022.db2.gz VOSUQYIUTXBRLA-RUPPMWDTSA-N 3 2 347.511 1.684 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)NOCC[NH+](C)C)CC2)cs1 ZINC000854945902 595540545 /nfs/dbraw/zinc/54/05/45/595540545.db2.gz VCRQGYHJUDTZJX-UHFFFAOYSA-N 2 2 326.466 1.273 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)on1 ZINC000852861309 595582111 /nfs/dbraw/zinc/58/21/11/595582111.db2.gz SUNCNLKLRBIITO-UHFFFAOYSA-N 2 2 326.360 1.379 20 0 EDADLP O=C(C=C1CC[NH2+]CC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000852865964 595585827 /nfs/dbraw/zinc/58/58/27/595585827.db2.gz AUWLRFWCJXCVQF-IBGZPJMESA-N 2 2 343.471 1.356 20 0 EDADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1N ZINC000852912908 595611561 /nfs/dbraw/zinc/61/15/61/595611561.db2.gz HVUUCWGWOCYNEL-KRWDZBQOSA-N 2 2 330.476 1.818 20 0 EDADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1N ZINC000852912908 595611562 /nfs/dbraw/zinc/61/15/62/595611562.db2.gz HVUUCWGWOCYNEL-KRWDZBQOSA-N 2 2 330.476 1.818 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OC[C@@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000860582230 595732863 /nfs/dbraw/zinc/73/28/63/595732863.db2.gz MXFSECISPZLGRC-AWEZNQCLSA-N 2 2 337.420 1.541 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OC[C@@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000860582230 595732866 /nfs/dbraw/zinc/73/28/66/595732866.db2.gz MXFSECISPZLGRC-AWEZNQCLSA-N 2 2 337.420 1.541 20 0 EDADLP Cn1c(Cl)nc(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858224273 595735623 /nfs/dbraw/zinc/73/56/23/595735623.db2.gz AFFCGRXUZFEWET-VIFPVBQESA-N 2 2 334.251 1.156 20 0 EDADLP Cn1c(Cl)nc(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858224273 595735624 /nfs/dbraw/zinc/73/56/24/595735624.db2.gz AFFCGRXUZFEWET-VIFPVBQESA-N 2 2 334.251 1.156 20 0 EDADLP CC(C)(C)OC(=O)NCC1CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000858340178 595768750 /nfs/dbraw/zinc/76/87/50/595768750.db2.gz BALJOJIRUGVPFY-GPANFISMSA-N 2 2 341.496 1.726 20 0 EDADLP CC(C)(C)OC(=O)NCC1CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000858340178 595768752 /nfs/dbraw/zinc/76/87/52/595768752.db2.gz BALJOJIRUGVPFY-GPANFISMSA-N 2 2 341.496 1.726 20 0 EDADLP COC(=O)COc1c(C)cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1C ZINC000858339418 595768912 /nfs/dbraw/zinc/76/89/12/595768912.db2.gz XCCWOPFLSYDEAT-INIZCTEOSA-N 2 2 336.432 1.011 20 0 EDADLP COC(=O)COc1c(C)cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1C ZINC000858339418 595768914 /nfs/dbraw/zinc/76/89/14/595768914.db2.gz XCCWOPFLSYDEAT-INIZCTEOSA-N 2 2 336.432 1.011 20 0 EDADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc[nH+]c(CO)c3)CC2)n1 ZINC000858437738 595795056 /nfs/dbraw/zinc/79/50/56/595795056.db2.gz MXCQSKOWHYWGER-ZDUSSCGKSA-N 2 2 347.419 1.377 20 0 EDADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc[nH+]c(CO)c3)CC2)n1 ZINC000858437738 595795059 /nfs/dbraw/zinc/79/50/59/595795059.db2.gz MXCQSKOWHYWGER-ZDUSSCGKSA-N 2 2 347.419 1.377 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000850435722 595833633 /nfs/dbraw/zinc/83/36/33/595833633.db2.gz DGKDUJGMSCTYKF-FHERZECASA-N 2 2 327.469 1.602 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000851955155 595984582 /nfs/dbraw/zinc/98/45/82/595984582.db2.gz SAHXRPZPLJNEMU-ZDUSSCGKSA-N 2 2 342.871 1.674 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000851955155 595984585 /nfs/dbraw/zinc/98/45/85/595984585.db2.gz SAHXRPZPLJNEMU-ZDUSSCGKSA-N 2 2 342.871 1.674 20 0 EDADLP CCN1OC[C@H]([N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584223 596020415 /nfs/dbraw/zinc/02/04/15/596020415.db2.gz FIIKWGQKVNXYQO-SJORKVTESA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@H]([N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584223 596020419 /nfs/dbraw/zinc/02/04/19/596020419.db2.gz FIIKWGQKVNXYQO-SJORKVTESA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@H]([NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856584223 596020422 /nfs/dbraw/zinc/02/04/22/596020422.db2.gz FIIKWGQKVNXYQO-SJORKVTESA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@H]([NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856584223 596020425 /nfs/dbraw/zinc/02/04/25/596020425.db2.gz FIIKWGQKVNXYQO-SJORKVTESA-N 2 2 348.447 1.149 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000852046731 596022805 /nfs/dbraw/zinc/02/28/05/596022805.db2.gz VVNSFBUQRVBJJN-HZPDHXFCSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000852046731 596022808 /nfs/dbraw/zinc/02/28/08/596022808.db2.gz VVNSFBUQRVBJJN-HZPDHXFCSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000852046731 596022813 /nfs/dbraw/zinc/02/28/13/596022813.db2.gz VVNSFBUQRVBJJN-HZPDHXFCSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)NC(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000852046731 596022816 /nfs/dbraw/zinc/02/28/16/596022816.db2.gz VVNSFBUQRVBJJN-HZPDHXFCSA-N 2 2 329.485 1.677 20 0 EDADLP Cc1cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000861542631 596022873 /nfs/dbraw/zinc/02/28/73/596022873.db2.gz QKOHGVWOONXOGU-ZDUSSCGKSA-N 2 2 342.399 1.926 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000852062134 596028334 /nfs/dbraw/zinc/02/83/34/596028334.db2.gz ZWZWNBIROYQSQH-CHWSQXEVSA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000852062134 596028337 /nfs/dbraw/zinc/02/83/37/596028337.db2.gz ZWZWNBIROYQSQH-CHWSQXEVSA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000852062134 596028340 /nfs/dbraw/zinc/02/83/40/596028340.db2.gz ZWZWNBIROYQSQH-CHWSQXEVSA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000852062134 596028344 /nfs/dbraw/zinc/02/83/44/596028344.db2.gz ZWZWNBIROYQSQH-CHWSQXEVSA-N 2 2 339.402 1.078 20 0 EDADLP CN(C(=O)Cc1ccc(C=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000859332639 596054042 /nfs/dbraw/zinc/05/40/42/596054042.db2.gz CPZNTDRYOVQKPS-IBGZPJMESA-N 2 2 343.471 1.669 20 0 EDADLP CN(C(=O)Cc1ccc(C=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000859332639 596054043 /nfs/dbraw/zinc/05/40/43/596054043.db2.gz CPZNTDRYOVQKPS-IBGZPJMESA-N 2 2 343.471 1.669 20 0 EDADLP C[NH+](C)CCOc1ccc(C=CC(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000861762514 596094231 /nfs/dbraw/zinc/09/42/31/596094231.db2.gz WKCAMEDBPPLKJB-YVMONPNESA-N 2 2 340.427 1.948 20 0 EDADLP C[NH+](C)CCOc1ccc(C=CC(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000861762514 596094236 /nfs/dbraw/zinc/09/42/36/596094236.db2.gz WKCAMEDBPPLKJB-YVMONPNESA-N 2 2 340.427 1.948 20 0 EDADLP C[NH+](C)CCn1cc(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)nn1 ZINC000864622917 596287467 /nfs/dbraw/zinc/28/74/67/596287467.db2.gz BAYAIIAFUGSWBN-UHFFFAOYSA-N 2 2 337.468 1.393 20 0 EDADLP CCOC(=O)NCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870666944 596315435 /nfs/dbraw/zinc/31/54/35/596315435.db2.gz OKELJVDVUNNSBJ-UHFFFAOYSA-N 2 2 349.435 1.298 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CC3(Cl)Cl)c2)CC1 ZINC000870667780 596315853 /nfs/dbraw/zinc/31/58/53/596315853.db2.gz QIYMZSZFRCYREH-LLVKDONJSA-N 2 2 329.231 1.966 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000864913106 596414789 /nfs/dbraw/zinc/41/47/89/596414789.db2.gz SVYSAZDHAUGHNG-HWKANZROSA-N 2 2 344.459 1.051 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(C[NH3+])o3)C2)cc1 ZINC000870979187 596426692 /nfs/dbraw/zinc/42/66/92/596426692.db2.gz HZMDRMAYNQTSPO-KRWDZBQOSA-N 2 2 343.427 1.678 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(C[NH3+])o3)C2)cc1 ZINC000870979187 596426693 /nfs/dbraw/zinc/42/66/93/596426693.db2.gz HZMDRMAYNQTSPO-KRWDZBQOSA-N 2 2 343.427 1.678 20 0 EDADLP C[C@H](C(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000870980951 596428411 /nfs/dbraw/zinc/42/84/11/596428411.db2.gz ALQHAJMZHMRRQY-QFBILLFUSA-N 2 2 344.503 1.561 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000865170323 596498749 /nfs/dbraw/zinc/49/87/49/596498749.db2.gz DDAKHPRFZUHDHU-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000865170323 596498745 /nfs/dbraw/zinc/49/87/45/596498745.db2.gz DDAKHPRFZUHDHU-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000865170323 596498747 /nfs/dbraw/zinc/49/87/47/596498747.db2.gz DDAKHPRFZUHDHU-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865170323 596498750 /nfs/dbraw/zinc/49/87/50/596498750.db2.gz DDAKHPRFZUHDHU-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP C[C@@H](O)c1ccc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000865444525 596576953 /nfs/dbraw/zinc/57/69/53/596576953.db2.gz QXRPIYCJLRJQRC-CQSZACIVSA-N 2 2 332.448 1.125 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865509481 596594075 /nfs/dbraw/zinc/59/40/75/596594075.db2.gz MFJIZJGEAAXBGP-INIZCTEOSA-N 2 2 339.440 1.226 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000867999173 596649605 /nfs/dbraw/zinc/64/96/05/596649605.db2.gz UCVZMXMVKATHOD-RHSMWYFYSA-N 2 2 340.431 1.119 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000867999173 596649607 /nfs/dbraw/zinc/64/96/07/596649607.db2.gz UCVZMXMVKATHOD-RHSMWYFYSA-N 2 2 340.431 1.119 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)C[N@@H+]1C1CC1 ZINC000865815597 596694524 /nfs/dbraw/zinc/69/45/24/596694524.db2.gz FOYQCPGABCUMOT-YOEHRIQHSA-N 2 2 328.460 1.927 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCNC3=O)cc2)C[N@H+]1C1CC1 ZINC000865815597 596694526 /nfs/dbraw/zinc/69/45/26/596694526.db2.gz FOYQCPGABCUMOT-YOEHRIQHSA-N 2 2 328.460 1.927 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)NCc3cccc4c3CC[NH2+]C4)cc2C1 ZINC000868203121 596722164 /nfs/dbraw/zinc/72/21/64/596722164.db2.gz CAHXMQWPSCYJSY-UHFFFAOYSA-N 2 2 340.431 1.296 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)NCc3cccc4c3CC[NH2+]C4)cc2C1 ZINC000868203121 596722165 /nfs/dbraw/zinc/72/21/65/596722165.db2.gz CAHXMQWPSCYJSY-UHFFFAOYSA-N 2 2 340.431 1.296 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000863947990 596724877 /nfs/dbraw/zinc/72/48/77/596724877.db2.gz YYRQMEWPELUVRY-QAPCUYQASA-N 2 2 326.444 1.989 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000863947990 596724879 /nfs/dbraw/zinc/72/48/79/596724879.db2.gz YYRQMEWPELUVRY-QAPCUYQASA-N 2 2 326.444 1.989 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[NH2+]2)c1 ZINC000870152223 596775889 /nfs/dbraw/zinc/77/58/89/596775889.db2.gz INRHKJJSLLLYCU-CRAIPNDOSA-N 2 2 340.427 1.627 20 0 EDADLP COCC(C)(C)CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000872106845 596807502 /nfs/dbraw/zinc/80/75/02/596807502.db2.gz VNBPDUMMUDQLJO-UHFFFAOYSA-N 2 2 327.513 1.435 20 0 EDADLP COCC(C)(C)CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000872106845 596807504 /nfs/dbraw/zinc/80/75/04/596807504.db2.gz VNBPDUMMUDQLJO-UHFFFAOYSA-N 2 2 327.513 1.435 20 0 EDADLP C([C@@H]1C[C@H]2CCC[C@H]2O1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000872143826 596809573 /nfs/dbraw/zinc/80/95/73/596809573.db2.gz XUMBKLHKQZYHJM-OWCLPIDISA-N 2 2 331.464 1.518 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CCN(C)c3[nH+]cccc3C2)n1C ZINC000868373926 596810562 /nfs/dbraw/zinc/81/05/62/596810562.db2.gz LMKWKIPBYSWPPX-UHFFFAOYSA-N 2 2 343.435 1.043 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872150241 596812740 /nfs/dbraw/zinc/81/27/40/596812740.db2.gz ZDDIQOHXSTWEEN-TZMCWYRMSA-N 2 2 345.365 1.380 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872150241 596812742 /nfs/dbraw/zinc/81/27/42/596812742.db2.gz ZDDIQOHXSTWEEN-TZMCWYRMSA-N 2 2 345.365 1.380 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153356 596815150 /nfs/dbraw/zinc/81/51/50/596815150.db2.gz KHIFMULVUNASLL-IWKLRQMXSA-N 2 2 329.444 1.556 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153356 596815152 /nfs/dbraw/zinc/81/51/52/596815152.db2.gz KHIFMULVUNASLL-IWKLRQMXSA-N 2 2 329.444 1.556 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000866208376 596827428 /nfs/dbraw/zinc/82/74/28/596827428.db2.gz IOCDGQIDXRSSBW-PBHICJAKSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000866208376 596827430 /nfs/dbraw/zinc/82/74/30/596827430.db2.gz IOCDGQIDXRSSBW-PBHICJAKSA-N 2 2 328.416 1.566 20 0 EDADLP CN1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)Cc2ccc[nH+]c21 ZINC000868429794 596835515 /nfs/dbraw/zinc/83/55/15/596835515.db2.gz JFBXETFTIKLRMA-HOTGVXAUSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866299689 596851154 /nfs/dbraw/zinc/85/11/54/596851154.db2.gz OENRVRIFLKCHTE-WMLDXEAASA-N 2 2 328.416 1.566 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866299689 596851156 /nfs/dbraw/zinc/85/11/56/596851156.db2.gz OENRVRIFLKCHTE-WMLDXEAASA-N 2 2 328.416 1.566 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c2[nH+]ccn21 ZINC000875646475 596931899 /nfs/dbraw/zinc/93/18/99/596931899.db2.gz VIJRBSSBWVSKGD-LSDHHAIUSA-N 2 2 347.463 1.643 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000875708096 596954483 /nfs/dbraw/zinc/95/44/83/596954483.db2.gz YFUYUCIBSRFXKO-IXDOHACOSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000875708096 596954484 /nfs/dbraw/zinc/95/44/84/596954484.db2.gz YFUYUCIBSRFXKO-IXDOHACOSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000875708096 596954485 /nfs/dbraw/zinc/95/44/85/596954485.db2.gz YFUYUCIBSRFXKO-IXDOHACOSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000875708096 596954486 /nfs/dbraw/zinc/95/44/86/596954486.db2.gz YFUYUCIBSRFXKO-IXDOHACOSA-N 2 2 338.496 1.413 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000874243608 596983570 /nfs/dbraw/zinc/98/35/70/596983570.db2.gz KSZYOWIEQLIUAR-MRXNPFEDSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000874243608 596983572 /nfs/dbraw/zinc/98/35/72/596983572.db2.gz KSZYOWIEQLIUAR-MRXNPFEDSA-N 2 2 325.416 1.900 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000874466812 597091960 /nfs/dbraw/zinc/09/19/60/597091960.db2.gz VOSALAHIQUXFEW-INIZCTEOSA-N 2 2 335.496 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EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000876208320 597137556 /nfs/dbraw/zinc/13/75/56/597137556.db2.gz MRVQUSLAHUFWDP-AEFFLSMTSA-N 2 2 326.444 1.829 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1cccc(S(N)(=O)=O)c1 ZINC000873237133 597236052 /nfs/dbraw/zinc/23/60/52/597236052.db2.gz MPVOMYBDORPDPS-OCCSQVGLSA-N 2 2 325.478 1.763 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000873249347 597240210 /nfs/dbraw/zinc/24/02/10/597240210.db2.gz MOQYNTNPEQECFF-CJNGLKHVSA-N 2 2 330.432 1.359 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876769855 597332600 /nfs/dbraw/zinc/33/26/00/597332600.db2.gz BDMFZZRHNCVCGX-NVXWUHKLSA-N 2 2 335.423 1.713 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876955930 597395965 /nfs/dbraw/zinc/39/59/65/597395965.db2.gz DWIHMFLUQGDACD-OAHLLOKOSA-N 2 2 336.461 1.735 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000875427461 597424433 /nfs/dbraw/zinc/42/44/33/597424433.db2.gz NUTJZQCFEVUDGF-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000875427461 597424435 /nfs/dbraw/zinc/42/44/35/597424435.db2.gz NUTJZQCFEVUDGF-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000875427461 597424437 /nfs/dbraw/zinc/42/44/37/597424437.db2.gz NUTJZQCFEVUDGF-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000875427461 597424438 /nfs/dbraw/zinc/42/44/38/597424438.db2.gz NUTJZQCFEVUDGF-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C3=CC[C@@H]([NH3+])C3)C2)cc1 ZINC000877248209 597478216 /nfs/dbraw/zinc/47/82/16/597478216.db2.gz HUZMYYYHRMMSPY-QZTJIDSGSA-N 2 2 329.444 1.360 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C3=CC[C@@H]([NH3+])C3)C2)cc1 ZINC000877248209 597478220 /nfs/dbraw/zinc/47/82/20/597478220.db2.gz HUZMYYYHRMMSPY-QZTJIDSGSA-N 2 2 329.444 1.360 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)C2)c1 ZINC000877248605 597478920 /nfs/dbraw/zinc/47/89/20/597478920.db2.gz OAKQYRZRJAYLMG-UHOSZYNNSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)C2)c1 ZINC000877248605 597478921 /nfs/dbraw/zinc/47/89/21/597478921.db2.gz OAKQYRZRJAYLMG-UHOSZYNNSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3CCC[NH2+]CC3)C2)c1 ZINC000877249535 597479417 /nfs/dbraw/zinc/47/94/17/597479417.db2.gz XEIPYRRASHAOPQ-RBUKOAKNSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3CCC[NH2+]CC3)C2)c1 ZINC000877249535 597479418 /nfs/dbraw/zinc/47/94/18/597479418.db2.gz XEIPYRRASHAOPQ-RBUKOAKNSA-N 2 2 345.487 1.702 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000877398566 597509652 /nfs/dbraw/zinc/50/96/52/597509652.db2.gz GJNHGGHAQJSGMY-UONOGXRCSA-N 2 2 329.485 1.582 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000877398566 597509653 /nfs/dbraw/zinc/50/96/53/597509653.db2.gz GJNHGGHAQJSGMY-UONOGXRCSA-N 2 2 329.485 1.582 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000877432786 597514547 /nfs/dbraw/zinc/51/45/47/597514547.db2.gz HCJNAMWCXZWJJZ-CABCVRRESA-N 2 2 325.840 1.567 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000877432786 597514549 /nfs/dbraw/zinc/51/45/49/597514549.db2.gz HCJNAMWCXZWJJZ-CABCVRRESA-N 2 2 325.840 1.567 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(S(N)(=O)=O)o2)cc1 ZINC000877525074 597530704 /nfs/dbraw/zinc/53/07/04/597530704.db2.gz PRVAXEPMXHWWNA-UHFFFAOYSA-N 2 2 337.445 1.621 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(S(N)(=O)=O)o2)cc1 ZINC000877525074 597530705 /nfs/dbraw/zinc/53/07/05/597530705.db2.gz PRVAXEPMXHWWNA-UHFFFAOYSA-N 2 2 337.445 1.621 20 0 EDADLP C[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC000877915551 597563849 /nfs/dbraw/zinc/56/38/49/597563849.db2.gz HHOZOFLHWPMMDY-UHFFFAOYSA-N 2 2 343.471 1.792 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000878286061 597592666 /nfs/dbraw/zinc/59/26/66/597592666.db2.gz JYGHUSSRMHIVSL-MAUKXSAKSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000878286061 597592667 /nfs/dbraw/zinc/59/26/67/597592667.db2.gz JYGHUSSRMHIVSL-MAUKXSAKSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000878286061 597592668 /nfs/dbraw/zinc/59/26/68/597592668.db2.gz JYGHUSSRMHIVSL-MAUKXSAKSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000878286061 597592669 /nfs/dbraw/zinc/59/26/69/597592669.db2.gz JYGHUSSRMHIVSL-MAUKXSAKSA-N 3 2 334.508 1.146 20 0 EDADLP C([C@H]1CCC2(CCOCC2)O1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552343 597632913 /nfs/dbraw/zinc/63/29/13/597632913.db2.gz NZRVAIHGXVZYKS-QZTJIDSGSA-N 2 2 338.492 1.901 20 0 EDADLP C([C@H]1CCC2(CCOCC2)O1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552343 597632915 /nfs/dbraw/zinc/63/29/15/597632915.db2.gz NZRVAIHGXVZYKS-QZTJIDSGSA-N 2 2 338.492 1.901 20 0 EDADLP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)CC1 ZINC000879594627 597649997 /nfs/dbraw/zinc/64/99/97/597649997.db2.gz OQJJVIYEWGEEHE-LJQANCHMSA-N 2 2 348.535 1.632 20 0 EDADLP C[NH+]1CCN(C2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)CC1 ZINC000879597137 597651391 /nfs/dbraw/zinc/65/13/91/597651391.db2.gz VSCTTZXVSSDEDC-IBGZPJMESA-N 2 2 342.487 1.652 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cc(O)ccc3Cl)cn2)CC1 ZINC000883324835 597713978 /nfs/dbraw/zinc/71/39/78/597713978.db2.gz GANOEXDZPDCSKV-UHFFFAOYSA-N 2 2 347.850 1.877 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccn4nccc34)C2)CC1 ZINC000878823782 597724515 /nfs/dbraw/zinc/72/45/15/597724515.db2.gz HZFAUSZZWPHWDF-AWEZNQCLSA-N 2 2 327.432 1.233 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccn4nccc34)C2)CC1 ZINC000878823782 597724517 /nfs/dbraw/zinc/72/45/17/597724517.db2.gz HZFAUSZZWPHWDF-AWEZNQCLSA-N 2 2 327.432 1.233 20 0 EDADLP C[C@@H](CCn1cccn1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371026 597725621 /nfs/dbraw/zinc/72/56/21/597725621.db2.gz XLSVEKCJVJKQNL-ROUUACIJSA-N 2 2 335.496 1.048 20 0 EDADLP Cc1cc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c(C)c[nH+]1 ZINC000879073593 597810523 /nfs/dbraw/zinc/81/05/23/597810523.db2.gz FLRQJGFTIRIQIB-UHFFFAOYSA-N 2 2 332.448 1.696 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000882101982 597868827 /nfs/dbraw/zinc/86/88/27/597868827.db2.gz BPPQLANWUHSNJU-AWEZNQCLSA-N 2 2 337.489 1.437 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000882101982 597868831 /nfs/dbraw/zinc/86/88/31/597868831.db2.gz BPPQLANWUHSNJU-AWEZNQCLSA-N 2 2 337.489 1.437 20 0 EDADLP C[C@H]1CCC[NH+]1CCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882101982 597868833 /nfs/dbraw/zinc/86/88/33/597868833.db2.gz BPPQLANWUHSNJU-AWEZNQCLSA-N 2 2 337.489 1.437 20 0 EDADLP C[C@H]1CCC[NH+]1CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882101982 597868836 /nfs/dbraw/zinc/86/88/36/597868836.db2.gz BPPQLANWUHSNJU-AWEZNQCLSA-N 2 2 337.489 1.437 20 0 EDADLP C[C@H]1C[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000880263508 597887011 /nfs/dbraw/zinc/88/70/11/597887011.db2.gz YQQGKHBYBITTKE-YJBOKZPZSA-N 2 2 344.459 1.372 20 0 EDADLP C[C@H]1C[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000880263508 597887013 /nfs/dbraw/zinc/88/70/13/597887013.db2.gz YQQGKHBYBITTKE-YJBOKZPZSA-N 2 2 344.459 1.372 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000884177354 598015978 /nfs/dbraw/zinc/01/59/78/598015978.db2.gz HGTUIYXBBYKRQM-UHFFFAOYSA-N 2 2 335.448 1.125 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc[nH+]1 ZINC000882726389 598034201 /nfs/dbraw/zinc/03/42/01/598034201.db2.gz SKKFUBXMFQJVMA-HIFRSBDPSA-N 2 2 335.452 1.007 20 0 EDADLP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000884279581 598052724 /nfs/dbraw/zinc/05/27/24/598052724.db2.gz ONWPQLBFRZDKAT-HNNXBMFYSA-N 2 2 331.464 1.858 20 0 EDADLP C[C@H](O)CNc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc[nH+]1 ZINC000882821350 598070165 /nfs/dbraw/zinc/07/01/65/598070165.db2.gz SBUAZFNRLCOHRW-KBPBESRZSA-N 2 2 328.420 1.379 20 0 EDADLP C[C@H](O)CNc1cc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)[nH+]cn1 ZINC000882821350 598070168 /nfs/dbraw/zinc/07/01/68/598070168.db2.gz SBUAZFNRLCOHRW-KBPBESRZSA-N 2 2 328.420 1.379 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c[nH+]1 ZINC000884340153 598075247 /nfs/dbraw/zinc/07/52/47/598075247.db2.gz DMXRSMGBZLTULS-JKSUJKDBSA-N 2 2 334.464 1.672 20 0 EDADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000882872363 598090711 /nfs/dbraw/zinc/09/07/11/598090711.db2.gz CYZSPNYATMOCNY-MSOLQXFVSA-N 2 2 339.443 1.131 20 0 EDADLP O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000882872363 598090714 /nfs/dbraw/zinc/09/07/14/598090714.db2.gz CYZSPNYATMOCNY-MSOLQXFVSA-N 2 2 339.443 1.131 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884401674 598093725 /nfs/dbraw/zinc/09/37/25/598093725.db2.gz XKRDIMXPOHATNI-QGZVFWFLSA-N 3 2 346.475 1.302 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884401674 598093728 /nfs/dbraw/zinc/09/37/28/598093728.db2.gz XKRDIMXPOHATNI-QGZVFWFLSA-N 3 2 346.475 1.302 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000825391238 607636685 /nfs/dbraw/zinc/63/66/85/607636685.db2.gz XAZITDPQMHWWPH-ZDUSSCGKSA-N 2 2 330.436 1.649 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000825391238 607636687 /nfs/dbraw/zinc/63/66/87/607636687.db2.gz XAZITDPQMHWWPH-ZDUSSCGKSA-N 2 2 330.436 1.649 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000825391238 607636690 /nfs/dbraw/zinc/63/66/90/607636690.db2.gz XAZITDPQMHWWPH-ZDUSSCGKSA-N 2 2 330.436 1.649 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC000825391238 607636691 /nfs/dbraw/zinc/63/66/91/607636691.db2.gz XAZITDPQMHWWPH-ZDUSSCGKSA-N 2 2 330.436 1.649 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCOC2CCC2)[C@H]1C ZINC000994297595 696726037 /nfs/dbraw/zinc/72/60/37/696726037.db2.gz HVRYHCRCNWULIK-HOCLYGCPSA-N 2 2 334.464 1.799 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCOC2CCC2)[C@H]1C ZINC000994297595 696726038 /nfs/dbraw/zinc/72/60/38/696726038.db2.gz HVRYHCRCNWULIK-HOCLYGCPSA-N 2 2 334.464 1.799 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000914074772 695069626 /nfs/dbraw/zinc/06/96/26/695069626.db2.gz LSQMRAILPXOMHK-YESZJQIVSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000914074772 695069629 /nfs/dbraw/zinc/06/96/29/695069629.db2.gz LSQMRAILPXOMHK-YESZJQIVSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C)oc1C ZINC000948057698 695116872 /nfs/dbraw/zinc/11/68/72/695116872.db2.gz XXNIXFFUXDTVJX-CZUORRHYSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C)oc1C ZINC000948057698 695116874 /nfs/dbraw/zinc/11/68/74/695116874.db2.gz XXNIXFFUXDTVJX-CZUORRHYSA-N 2 2 334.464 1.856 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1[NH2+]CCF ZINC000939815929 699974908 /nfs/dbraw/zinc/97/49/08/699974908.db2.gz MOHUKQCJWZILSB-OCCSQVGLSA-N 2 2 325.453 1.512 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1[NH2+]CCF ZINC000939815929 699974909 /nfs/dbraw/zinc/97/49/09/699974909.db2.gz MOHUKQCJWZILSB-OCCSQVGLSA-N 2 2 325.453 1.512 20 0 EDADLP C[NH+]1CCC(CC(=O)NC2C[NH+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC001031050931 695385893 /nfs/dbraw/zinc/38/58/93/695385893.db2.gz CTCGJTWNBPIQHB-IBGZPJMESA-N 2 2 345.487 1.122 20 0 EDADLP CCO[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C[NH+](C)C ZINC000914419793 695396107 /nfs/dbraw/zinc/39/61/07/695396107.db2.gz FTHXYYLMTJVIRN-QGZVFWFLSA-N 2 2 345.447 1.638 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992873374 695421340 /nfs/dbraw/zinc/42/13/40/695421340.db2.gz NFGHLKDEXPSJCM-IMJJTQAJSA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnns3)[C@H]2C1 ZINC000992927579 695458264 /nfs/dbraw/zinc/45/82/64/695458264.db2.gz XTOCASQBUKVIHW-AEGPPILISA-N 2 2 346.460 1.152 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031267356 696081393 /nfs/dbraw/zinc/08/13/93/696081393.db2.gz DDHZDKVNSKISEA-AWEZNQCLSA-N 2 2 332.448 1.377 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ocnc2C)[C@H]1C ZINC000993622311 696267476 /nfs/dbraw/zinc/26/74/76/696267476.db2.gz OHLVDDIYKVDKNW-LSDHHAIUSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ocnc2C)[C@H]1C ZINC000993622311 696267478 /nfs/dbraw/zinc/26/74/78/696267478.db2.gz OHLVDDIYKVDKNW-LSDHHAIUSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1nc(NC2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cc[nH+]1 ZINC001060605569 696300056 /nfs/dbraw/zinc/30/00/56/696300056.db2.gz KPJCPRHSXMFJAM-OFLPRAFFSA-N 2 2 343.475 1.966 20 0 EDADLP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)o1 ZINC000993763600 696361906 /nfs/dbraw/zinc/36/19/06/696361906.db2.gz SLVOXAJRXGVJNE-HOCLYGCPSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)o1 ZINC000993763600 696361907 /nfs/dbraw/zinc/36/19/07/696361907.db2.gz SLVOXAJRXGVJNE-HOCLYGCPSA-N 2 2 334.464 1.794 20 0 EDADLP CCn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)n1 ZINC000994249229 696638506 /nfs/dbraw/zinc/63/85/06/696638506.db2.gz FMSFWUILKBAUTA-NVXWUHKLSA-N 2 2 345.491 1.468 20 0 EDADLP CCn1ccc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)n1 ZINC000994249229 696638507 /nfs/dbraw/zinc/63/85/07/696638507.db2.gz FMSFWUILKBAUTA-NVXWUHKLSA-N 2 2 345.491 1.468 20 0 EDADLP COc1ccnc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)c1 ZINC000994410280 696836754 /nfs/dbraw/zinc/83/67/54/696836754.db2.gz SHGNZSQVJNFVPX-QAPCUYQASA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)c1 ZINC000994410280 696836757 /nfs/dbraw/zinc/83/67/57/696836757.db2.gz SHGNZSQVJNFVPX-QAPCUYQASA-N 2 2 346.475 1.655 20 0 EDADLP Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994412403 696838370 /nfs/dbraw/zinc/83/83/70/696838370.db2.gz VERZXPSZSMAYLF-FUHWJXTLSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994412403 696838372 /nfs/dbraw/zinc/83/83/72/696838372.db2.gz VERZXPSZSMAYLF-FUHWJXTLSA-N 2 2 330.476 1.955 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)ccn1 ZINC000994415049 696840684 /nfs/dbraw/zinc/84/06/84/696840684.db2.gz ZJKTTZKFWLLOSG-RDJZCZTQSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)ccn1 ZINC000994415049 696840687 /nfs/dbraw/zinc/84/06/87/696840687.db2.gz ZJKTTZKFWLLOSG-RDJZCZTQSA-N 2 2 346.475 1.655 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000917007781 696874861 /nfs/dbraw/zinc/87/48/61/696874861.db2.gz SGODCPSACOEAPU-YESZJQIVSA-N 2 2 340.512 1.467 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000917007781 696874864 /nfs/dbraw/zinc/87/48/64/696874864.db2.gz SGODCPSACOEAPU-YESZJQIVSA-N 2 2 340.512 1.467 20 0 EDADLP Cc1noc(CCC[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)n1 ZINC000994504221 696941737 /nfs/dbraw/zinc/94/17/37/696941737.db2.gz HHDTYXGFNWWCCI-HIFRSBDPSA-N 2 2 346.435 1.176 20 0 EDADLP Cc1noc(CCC[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)n1 ZINC000994504221 696941739 /nfs/dbraw/zinc/94/17/39/696941739.db2.gz HHDTYXGFNWWCCI-HIFRSBDPSA-N 2 2 346.435 1.176 20 0 EDADLP CO[C@@H](C[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1)c1ccccc1 ZINC001031391237 697018131 /nfs/dbraw/zinc/01/81/31/697018131.db2.gz BMRFTBBLBIEAOV-KRWDZBQOSA-N 2 2 328.416 1.380 20 0 EDADLP COC(C)(C)[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000918906857 697222464 /nfs/dbraw/zinc/22/24/64/697222464.db2.gz RTRQCEBXOMFPHX-UONOGXRCSA-N 2 2 326.485 1.268 20 0 EDADLP COC(C)(C)[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000918906857 697222466 /nfs/dbraw/zinc/22/24/66/697222466.db2.gz RTRQCEBXOMFPHX-UONOGXRCSA-N 2 2 326.485 1.268 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC001015797217 697405875 /nfs/dbraw/zinc/40/58/75/697405875.db2.gz ZVDGEFSORQMUJQ-OAHLLOKOSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC001015797217 697405877 /nfs/dbraw/zinc/40/58/77/697405877.db2.gz ZVDGEFSORQMUJQ-OAHLLOKOSA-N 2 2 336.505 1.874 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000920236314 697410219 /nfs/dbraw/zinc/41/02/19/697410219.db2.gz MUTRIONQGQZBQK-ZDUSSCGKSA-N 2 2 325.482 1.488 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000920236314 697410220 /nfs/dbraw/zinc/41/02/20/697410220.db2.gz MUTRIONQGQZBQK-ZDUSSCGKSA-N 2 2 325.482 1.488 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665780 697446622 /nfs/dbraw/zinc/44/66/22/697446622.db2.gz HDJHQXSKBPSMFO-QGZVFWFLSA-N 2 2 331.464 1.206 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665780 697446623 /nfs/dbraw/zinc/44/66/23/697446623.db2.gz HDJHQXSKBPSMFO-QGZVFWFLSA-N 2 2 331.464 1.206 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921488251 697621556 /nfs/dbraw/zinc/62/15/56/697621556.db2.gz OLXIKCUSHJCWDO-INIZCTEOSA-N 2 2 343.431 1.387 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000921488251 697621558 /nfs/dbraw/zinc/62/15/58/697621558.db2.gz OLXIKCUSHJCWDO-INIZCTEOSA-N 2 2 343.431 1.387 20 0 EDADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730703 698087063 /nfs/dbraw/zinc/08/70/63/698087063.db2.gz VOQAJWYSGZKUJV-SFHVURJKSA-N 2 2 345.491 1.375 20 0 EDADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730703 698087070 /nfs/dbraw/zinc/08/70/70/698087070.db2.gz VOQAJWYSGZKUJV-SFHVURJKSA-N 2 2 345.491 1.375 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)C1 ZINC001032098007 698722580 /nfs/dbraw/zinc/72/25/80/698722580.db2.gz DWCHIMBAUKGDON-UHFFFAOYSA-N 2 2 339.443 1.975 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943765945 698816511 /nfs/dbraw/zinc/81/65/11/698816511.db2.gz FXVLWPBZTOKKHW-PBHICJAKSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943765945 698816516 /nfs/dbraw/zinc/81/65/16/698816516.db2.gz FXVLWPBZTOKKHW-PBHICJAKSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H]1C[N@H+](CCCC2CCOCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766621 698818261 /nfs/dbraw/zinc/81/82/61/698818261.db2.gz LYFCAIDDKFMPND-NVXWUHKLSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@@H]1C[N@@H+](CCCC2CCOCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766621 698818269 /nfs/dbraw/zinc/81/82/69/698818269.db2.gz LYFCAIDDKFMPND-NVXWUHKLSA-N 2 2 348.491 1.986 20 0 EDADLP Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001031765392 699051540 /nfs/dbraw/zinc/05/15/40/699051540.db2.gz DRWIWFDPUCRAOL-RDTXWAMCSA-N 2 2 349.450 1.401 20 0 EDADLP Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001031765392 699051542 /nfs/dbraw/zinc/05/15/42/699051542.db2.gz DRWIWFDPUCRAOL-RDTXWAMCSA-N 2 2 349.450 1.401 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC000995157561 701564835 /nfs/dbraw/zinc/56/48/35/701564835.db2.gz ZIOAFPYWKRZCIP-QWHCGFSZSA-N 2 2 333.461 1.792 20 0 EDADLP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000939054854 699115430 /nfs/dbraw/zinc/11/54/30/699115430.db2.gz QBCUKSODPLHBFT-DOMZBBRYSA-N 2 2 347.463 1.225 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031779502 699183144 /nfs/dbraw/zinc/18/31/44/699183144.db2.gz SNJFPHOSXFUVFS-WBVHZDCISA-N 2 2 332.448 1.063 20 0 EDADLP O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031779516 699183617 /nfs/dbraw/zinc/18/36/17/699183617.db2.gz TVJCVZDAUMGMQE-CQSZACIVSA-N 2 2 338.402 1.539 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3C)C2)on1 ZINC001031800411 699317572 /nfs/dbraw/zinc/31/75/72/699317572.db2.gz OXFJHELCXVXZMF-UHFFFAOYSA-N 2 2 339.399 1.801 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccncc1Cl ZINC000939407537 699562198 /nfs/dbraw/zinc/56/21/98/699562198.db2.gz FQEDJSYHQKILOU-BXUZGUMPSA-N 2 2 333.823 1.637 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939407539 699562222 /nfs/dbraw/zinc/56/22/22/699562222.db2.gz FQEDJSYHQKILOU-RISCZKNCSA-N 2 2 333.823 1.637 20 0 EDADLP Cc1ccc(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1 ZINC000939412440 699565784 /nfs/dbraw/zinc/56/57/84/699565784.db2.gz HCPRBQWATNQPSM-RDJZCZTQSA-N 2 2 326.444 1.940 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939533709 699671645 /nfs/dbraw/zinc/67/16/45/699671645.db2.gz DRWSGCPFCUHXKM-GXTWGEPZSA-N 2 2 330.436 1.058 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000939534864 699675964 /nfs/dbraw/zinc/67/59/64/699675964.db2.gz NLOYTHJGHGTYFG-YVEFUNNKSA-N 2 2 348.397 1.878 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000939534862 699675978 /nfs/dbraw/zinc/67/59/78/699675978.db2.gz NLOYTHJGHGTYFG-SJCJKPOMSA-N 2 2 348.397 1.878 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)o1 ZINC000939540335 699681030 /nfs/dbraw/zinc/68/10/30/699681030.db2.gz GNPVIXLVESPMMP-SMDDNHRTSA-N 2 2 331.420 1.620 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995165642 701606339 /nfs/dbraw/zinc/60/63/39/701606339.db2.gz FTMLOYFUQDKGII-UKRRQHHQSA-N 2 2 345.422 1.571 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000939622708 699759854 /nfs/dbraw/zinc/75/98/54/699759854.db2.gz NSNZKDAQACLOMZ-GUYCJALGSA-N 2 2 327.432 1.601 20 0 EDADLP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939622897 699760055 /nfs/dbraw/zinc/76/00/55/699760055.db2.gz PFWHODDCOINMJJ-MEDUHNTESA-N 2 2 331.420 1.448 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)cn1 ZINC000939641547 699771029 /nfs/dbraw/zinc/77/10/29/699771029.db2.gz FWORCHVHZATQSH-CXAGYDPISA-N 2 2 342.447 1.088 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(C2C[NH+](CCC(C)(C)C)C2)CC1 ZINC000941653309 701612539 /nfs/dbraw/zinc/61/25/39/701612539.db2.gz NZWPRUFSPZNPNJ-UHFFFAOYSA-N 2 2 347.507 1.525 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nn(C)cc1Cl ZINC000939755024 699904902 /nfs/dbraw/zinc/90/49/02/699904902.db2.gz OQVQUROODHHSAD-DOMZBBRYSA-N 2 2 339.871 1.106 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC001031850413 699941583 /nfs/dbraw/zinc/94/15/83/699941583.db2.gz ZEEBGNMDKDWLAO-UHFFFAOYSA-N 2 2 325.372 1.493 20 0 EDADLP CC(C)(C(=O)N1CCC(C)([NH2+]Cc2ccon2)CC1)c1c[nH+]c[nH]1 ZINC000940425988 700619273 /nfs/dbraw/zinc/61/92/73/700619273.db2.gz BCQZQEGCXYPFFY-UHFFFAOYSA-N 2 2 331.420 1.846 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940445935 700647962 /nfs/dbraw/zinc/64/79/62/700647962.db2.gz YQLRLABOBZSGLU-UHFFFAOYSA-N 2 2 348.476 1.375 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)sn1 ZINC000940483185 700671303 /nfs/dbraw/zinc/67/13/03/700671303.db2.gz CGLAXHYWSQZIMT-UHFFFAOYSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCCO)CC3(C)C)ccn12 ZINC000940744200 700882602 /nfs/dbraw/zinc/88/26/02/700882602.db2.gz HLTQLJWWSMUAFH-MRXNPFEDSA-N 2 2 344.459 1.855 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCCO)CC3(C)C)ccn12 ZINC000940744200 700882604 /nfs/dbraw/zinc/88/26/04/700882604.db2.gz HLTQLJWWSMUAFH-MRXNPFEDSA-N 2 2 344.459 1.855 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)on1 ZINC000995170356 701677397 /nfs/dbraw/zinc/67/73/97/701677397.db2.gz SWOMWXXCNKJULL-KGLIPLIRSA-N 2 2 331.420 1.334 20 0 EDADLP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940837334 700934875 /nfs/dbraw/zinc/93/48/75/700934875.db2.gz RVBZMASYNRATSD-YOEHRIQHSA-N 2 2 349.475 1.884 20 0 EDADLP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940837334 700934877 /nfs/dbraw/zinc/93/48/77/700934877.db2.gz RVBZMASYNRATSD-YOEHRIQHSA-N 2 2 349.475 1.884 20 0 EDADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940840044 700936614 /nfs/dbraw/zinc/93/66/14/700936614.db2.gz RTENXNDCNDDCJO-XHDPSFHLSA-N 2 2 343.431 1.267 20 0 EDADLP C[C@@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940840044 700936616 /nfs/dbraw/zinc/93/66/16/700936616.db2.gz RTENXNDCNDDCJO-XHDPSFHLSA-N 2 2 343.431 1.267 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000940893016 700968142 /nfs/dbraw/zinc/96/81/42/700968142.db2.gz MHVDUCODZNFVSM-OAHLLOKOSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000940893016 700968143 /nfs/dbraw/zinc/96/81/43/700968143.db2.gz MHVDUCODZNFVSM-OAHLLOKOSA-N 2 2 342.447 1.398 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973866 701016013 /nfs/dbraw/zinc/01/60/13/701016013.db2.gz YHJNLXJGKVTCOK-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973866 701016015 /nfs/dbraw/zinc/01/60/15/701016015.db2.gz YHJNLXJGKVTCOK-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973866 701016016 /nfs/dbraw/zinc/01/60/16/701016016.db2.gz YHJNLXJGKVTCOK-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973866 701016017 /nfs/dbraw/zinc/01/60/17/701016017.db2.gz YHJNLXJGKVTCOK-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP CC1(C)C[N@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941130872 701208702 /nfs/dbraw/zinc/20/87/02/701208702.db2.gz WKERDJUJVVWVJZ-MRXNPFEDSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941130872 701208704 /nfs/dbraw/zinc/20/87/04/701208704.db2.gz WKERDJUJVVWVJZ-MRXNPFEDSA-N 2 2 348.491 1.986 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](Cc2ccns2)CC1(C)C ZINC000941165684 701376638 /nfs/dbraw/zinc/37/66/38/701376638.db2.gz AQSCNGXJZUEXTN-HNNXBMFYSA-N 2 2 347.488 1.836 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccns2)CC1(C)C ZINC000941165684 701376640 /nfs/dbraw/zinc/37/66/40/701376640.db2.gz AQSCNGXJZUEXTN-HNNXBMFYSA-N 2 2 347.488 1.836 20 0 EDADLP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031931107 701378312 /nfs/dbraw/zinc/37/83/12/701378312.db2.gz FLCZJFAWDVVSJE-UHFFFAOYSA-N 2 2 345.447 1.245 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215845 701402276 /nfs/dbraw/zinc/40/22/76/701402276.db2.gz BERQMCCZAICVQG-HUUCEWRRSA-N 2 2 331.464 1.145 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215845 701402277 /nfs/dbraw/zinc/40/22/77/701402277.db2.gz BERQMCCZAICVQG-HUUCEWRRSA-N 2 2 331.464 1.145 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215845 701402278 /nfs/dbraw/zinc/40/22/78/701402278.db2.gz BERQMCCZAICVQG-HUUCEWRRSA-N 2 2 331.464 1.145 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215845 701402279 /nfs/dbraw/zinc/40/22/79/701402279.db2.gz BERQMCCZAICVQG-HUUCEWRRSA-N 2 2 331.464 1.145 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941220309 701410605 /nfs/dbraw/zinc/41/06/05/701410605.db2.gz BRPLQTQAGNWCOZ-AWEZNQCLSA-N 2 2 349.479 1.445 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941220309 701410607 /nfs/dbraw/zinc/41/06/07/701410607.db2.gz BRPLQTQAGNWCOZ-AWEZNQCLSA-N 2 2 349.479 1.445 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941247490 701424401 /nfs/dbraw/zinc/42/44/01/701424401.db2.gz MNPSZSCYMKNIHV-MRXNPFEDSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)cn1 ZINC000941247490 701424402 /nfs/dbraw/zinc/42/44/02/701424402.db2.gz MNPSZSCYMKNIHV-MRXNPFEDSA-N 2 2 342.447 1.398 20 0 EDADLP CCC(CC)C[NH+]1CC(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000941391616 701501672 /nfs/dbraw/zinc/50/16/72/701501672.db2.gz AYVGKCDYFXBJNQ-UHFFFAOYSA-N 2 2 347.507 1.607 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001032128825 701800453 /nfs/dbraw/zinc/80/04/53/701800453.db2.gz LCPOQQACLVKSIB-CRAIPNDOSA-N 2 2 348.466 1.889 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001032128828 701800657 /nfs/dbraw/zinc/80/06/57/701800657.db2.gz LCPOQQACLVKSIB-YJBOKZPZSA-N 2 2 348.466 1.889 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995740666 701930822 /nfs/dbraw/zinc/93/08/22/701930822.db2.gz XYEPVDQRABSYJQ-HNNXBMFYSA-N 2 2 344.463 1.411 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995744367 701953133 /nfs/dbraw/zinc/95/31/33/701953133.db2.gz GLLZZGGRTSNNDI-HNNXBMFYSA-N 2 2 342.447 1.468 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCn1cccn1 ZINC000995746569 701971374 /nfs/dbraw/zinc/97/13/74/701971374.db2.gz MLQZFOXYJFAQOE-CQSZACIVSA-N 2 2 330.436 1.066 20 0 EDADLP C[C@@H](CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C)n1cc[nH+]c1 ZINC000944022147 701973609 /nfs/dbraw/zinc/97/36/09/701973609.db2.gz KADXFLUFWYUCSI-ARFHVFGLSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@@H](CC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C)n1cc[nH+]c1 ZINC000944022147 701973614 /nfs/dbraw/zinc/97/36/14/701973614.db2.gz KADXFLUFWYUCSI-ARFHVFGLSA-N 2 2 347.463 1.036 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccns2)C1 ZINC000995180749 701997056 /nfs/dbraw/zinc/99/70/56/701997056.db2.gz FYYITBUUGHIRGY-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)c(C)o1 ZINC000995180802 701998003 /nfs/dbraw/zinc/99/80/03/701998003.db2.gz GHHICOBCGGTBEH-GJZGRUSLSA-N 2 2 345.447 1.940 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995879077 702186147 /nfs/dbraw/zinc/18/61/47/702186147.db2.gz BJTRBYBJBKUKPX-HOCLYGCPSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995879077 702186150 /nfs/dbraw/zinc/18/61/50/702186150.db2.gz BJTRBYBJBKUKPX-HOCLYGCPSA-N 2 2 334.464 1.596 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)C1 ZINC000995893260 702194566 /nfs/dbraw/zinc/19/45/66/702194566.db2.gz QOTMPCPEZYMIRX-PREGVCBESA-N 2 2 348.491 1.984 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000995893260 702194569 /nfs/dbraw/zinc/19/45/69/702194569.db2.gz QOTMPCPEZYMIRX-PREGVCBESA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000995894223 702196600 /nfs/dbraw/zinc/19/66/00/702196600.db2.gz RYQDZKIROUVANV-HZPDHXFCSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000995894223 702196602 /nfs/dbraw/zinc/19/66/02/702196602.db2.gz RYQDZKIROUVANV-HZPDHXFCSA-N 2 2 334.464 1.738 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001032182673 702207365 /nfs/dbraw/zinc/20/73/65/702207365.db2.gz OZWALWLGIXVICH-AWEZNQCLSA-N 2 2 339.842 1.979 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001032182673 702207373 /nfs/dbraw/zinc/20/73/73/702207373.db2.gz OZWALWLGIXVICH-AWEZNQCLSA-N 2 2 339.842 1.979 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944098746 702267722 /nfs/dbraw/zinc/26/77/22/702267722.db2.gz NVSRTIPPXIJCQL-GUYCJALGSA-N 2 2 344.463 1.031 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944098746 702267723 /nfs/dbraw/zinc/26/77/23/702267723.db2.gz NVSRTIPPXIJCQL-GUYCJALGSA-N 2 2 344.463 1.031 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)oc1C ZINC000995192352 702302853 /nfs/dbraw/zinc/30/28/53/702302853.db2.gz BJGHBUVMBZBXKF-CVEARBPZSA-N 2 2 345.447 1.871 20 0 EDADLP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1cnsn1 ZINC000995993574 702371331 /nfs/dbraw/zinc/37/13/31/702371331.db2.gz BPTGBVVIRVIACU-CQSZACIVSA-N 2 2 349.504 1.493 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944168520 702408681 /nfs/dbraw/zinc/40/86/81/702408681.db2.gz JBGXFOYBMISGBT-UONOGXRCSA-N 2 2 347.463 1.054 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944168520 702408685 /nfs/dbraw/zinc/40/86/85/702408685.db2.gz JBGXFOYBMISGBT-UONOGXRCSA-N 2 2 347.463 1.054 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)n(C)n2)C(C)(C)C1 ZINC000996042178 702458329 /nfs/dbraw/zinc/45/83/29/702458329.db2.gz KJNQJJDQHNVCBB-MRXNPFEDSA-N 2 2 344.463 1.260 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996074638 702464299 /nfs/dbraw/zinc/46/42/99/702464299.db2.gz MFRJGBHNNBZPPF-MRXNPFEDSA-N 2 2 341.459 1.775 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCCO2)C(C)(C)C1 ZINC000996089334 702498824 /nfs/dbraw/zinc/49/88/24/702498824.db2.gz ZQFIZWWWYAAZNB-HZPDHXFCSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]C[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996089330 702498934 /nfs/dbraw/zinc/49/89/34/702498934.db2.gz ZQFIZWWWYAAZNB-HOTGVXAUSA-N 2 2 348.491 1.748 20 0 EDADLP CCC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996188789 702593966 /nfs/dbraw/zinc/59/39/66/702593966.db2.gz HWFVFYPDTGKAHH-IRXDYDNUSA-N 2 2 337.508 1.866 20 0 EDADLP CCC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996188789 702593967 /nfs/dbraw/zinc/59/39/67/702593967.db2.gz HWFVFYPDTGKAHH-IRXDYDNUSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H](CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1)n1cc[nH+]c1 ZINC000996364689 702724822 /nfs/dbraw/zinc/72/48/22/702724822.db2.gz OOXMAYMYIKYPLC-GOEBONIOSA-N 2 2 344.463 1.595 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)ccn1 ZINC000996354443 702732182 /nfs/dbraw/zinc/73/21/82/702732182.db2.gz HRLJFKKABJNHDX-HNNXBMFYSA-N 2 2 343.431 1.383 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000996354949 702732685 /nfs/dbraw/zinc/73/26/85/702732685.db2.gz JZBFMNVNAIARCV-JKSUJKDBSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996512552 702831919 /nfs/dbraw/zinc/83/19/19/702831919.db2.gz DLDRAHXYJPIMLO-OAHLLOKOSA-N 2 2 331.420 1.286 20 0 EDADLP CC(C)n1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995231405 702843738 /nfs/dbraw/zinc/84/37/38/702843738.db2.gz 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ZINC000997645356 703955623 /nfs/dbraw/zinc/95/56/23/703955623.db2.gz XLZLTMUHNCKHMK-RYUDHWBXSA-N 2 2 343.431 1.267 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC001033081047 704135823 /nfs/dbraw/zinc/13/58/23/704135823.db2.gz LEIUOCMSVLQZET-SJORKVTESA-N 2 2 346.475 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC001033081047 704135824 /nfs/dbraw/zinc/13/58/24/704135824.db2.gz LEIUOCMSVLQZET-SJORKVTESA-N 2 2 346.475 1.666 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033091105 704165554 /nfs/dbraw/zinc/16/55/54/704165554.db2.gz GWFUZFXFACBSLJ-KBAYOESNSA-N 2 2 347.507 1.837 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033091105 704165555 /nfs/dbraw/zinc/16/55/55/704165555.db2.gz GWFUZFXFACBSLJ-KBAYOESNSA-N 2 2 347.507 1.837 20 0 EDADLP CC(C)n1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033091105 704165556 /nfs/dbraw/zinc/16/55/56/704165556.db2.gz GWFUZFXFACBSLJ-KBAYOESNSA-N 2 2 347.507 1.837 20 0 EDADLP CC(C)n1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033091105 704165557 /nfs/dbraw/zinc/16/55/57/704165557.db2.gz GWFUZFXFACBSLJ-KBAYOESNSA-N 2 2 347.507 1.837 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3nocc3C)C2)CC[N@@H+]1C ZINC001033098383 704201635 /nfs/dbraw/zinc/20/16/35/704201635.db2.gz HDLWTGTXIJWWGK-HLLBOEOZSA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3nocc3C)C2)CC[N@H+]1C ZINC001033098383 704201638 /nfs/dbraw/zinc/20/16/38/704201638.db2.gz HDLWTGTXIJWWGK-HLLBOEOZSA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3nocc3C)C2)CC[NH+]1C ZINC001033098383 704201641 /nfs/dbraw/zinc/20/16/41/704201641.db2.gz HDLWTGTXIJWWGK-HLLBOEOZSA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nocc3C)C2)CC[NH+]1C ZINC001033098383 704201644 /nfs/dbraw/zinc/20/16/44/704201644.db2.gz HDLWTGTXIJWWGK-HLLBOEOZSA-N 2 2 334.464 1.746 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H]1CCOC1 ZINC001032535159 704567906 /nfs/dbraw/zinc/56/79/06/704567906.db2.gz VIVXLKLPTNBRRA-IKGGRYGDSA-N 2 2 346.475 1.455 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H]1CCOC1 ZINC001032535159 704567908 /nfs/dbraw/zinc/56/79/08/704567908.db2.gz VIVXLKLPTNBRRA-IKGGRYGDSA-N 2 2 346.475 1.455 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC1 ZINC001032540624 704600842 /nfs/dbraw/zinc/60/08/42/704600842.db2.gz JZFRSQIXAWPLKV-GBESFXJTSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC1 ZINC001032540624 704600844 /nfs/dbraw/zinc/60/08/44/704600844.db2.gz JZFRSQIXAWPLKV-GBESFXJTSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001032540624 704600846 /nfs/dbraw/zinc/60/08/46/704600846.db2.gz JZFRSQIXAWPLKV-GBESFXJTSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032540624 704600848 /nfs/dbraw/zinc/60/08/48/704600848.db2.gz JZFRSQIXAWPLKV-GBESFXJTSA-N 2 2 347.503 1.573 20 0 EDADLP Cc1nccnc1C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000997818851 704739995 /nfs/dbraw/zinc/73/99/95/704739995.db2.gz YJRLWFPGZHPICB-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP Cc1nccnc1C[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000997818851 704739997 /nfs/dbraw/zinc/73/99/97/704739997.db2.gz YJRLWFPGZHPICB-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944943399 704795943 /nfs/dbraw/zinc/79/59/43/704795943.db2.gz HJKONNGKCFNRNU-ZBFHGGJFSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944943399 704795945 /nfs/dbraw/zinc/79/59/45/704795945.db2.gz HJKONNGKCFNRNU-ZBFHGGJFSA-N 2 2 331.464 1.207 20 0 EDADLP C[C@H]1C[N@H+](Cc2nc(C3CC3)no2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944988 704797946 /nfs/dbraw/zinc/79/79/46/704797946.db2.gz PRSKEPSSYLCABE-DZGCQCFKSA-N 2 2 347.463 1.369 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944988 704797947 /nfs/dbraw/zinc/79/79/47/704797947.db2.gz PRSKEPSSYLCABE-DZGCQCFKSA-N 2 2 347.463 1.369 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C[C@H]1C ZINC000944964170 704831991 /nfs/dbraw/zinc/83/19/91/704831991.db2.gz GVMVGMCJZOGOMC-CZUORRHYSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2nccc(C)n2)C[C@H]1C ZINC000944964170 704831998 /nfs/dbraw/zinc/83/19/98/704831998.db2.gz GVMVGMCJZOGOMC-CZUORRHYSA-N 2 2 342.447 1.317 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)CCc3[nH+]ccn3C)CC2)O1 ZINC000997930665 705036503 /nfs/dbraw/zinc/03/65/03/705036503.db2.gz RPWYIKWSTYSFKK-NVXWUHKLSA-N 2 2 348.491 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998042815 705237670 /nfs/dbraw/zinc/23/76/70/705237670.db2.gz AOJMZWLSPRDZAW-SJORKVTESA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998042815 705237672 /nfs/dbraw/zinc/23/76/72/705237672.db2.gz AOJMZWLSPRDZAW-SJORKVTESA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000998102330 705345178 /nfs/dbraw/zinc/34/51/78/705345178.db2.gz MIFSURJYTWNXHN-IRXDYDNUSA-N 2 2 349.479 1.757 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000998102330 705345183 /nfs/dbraw/zinc/34/51/83/705345183.db2.gz MIFSURJYTWNXHN-IRXDYDNUSA-N 2 2 349.479 1.757 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998102330 705345187 /nfs/dbraw/zinc/34/51/87/705345187.db2.gz MIFSURJYTWNXHN-IRXDYDNUSA-N 2 2 349.479 1.757 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998102330 705345191 /nfs/dbraw/zinc/34/51/91/705345191.db2.gz MIFSURJYTWNXHN-IRXDYDNUSA-N 2 2 349.479 1.757 20 0 EDADLP CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998115368 705360238 /nfs/dbraw/zinc/36/02/38/705360238.db2.gz IIBPVWLNYNDWLW-HUUCEWRRSA-N 2 2 334.464 1.525 20 0 EDADLP CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998115368 705360242 /nfs/dbraw/zinc/36/02/42/705360242.db2.gz IIBPVWLNYNDWLW-HUUCEWRRSA-N 2 2 334.464 1.525 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000998122274 705374852 /nfs/dbraw/zinc/37/48/52/705374852.db2.gz YUVOYUCGYAIWPF-UHFFFAOYSA-N 2 2 342.447 1.123 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1)n1cc[nH+]c1 ZINC000998126998 705388901 /nfs/dbraw/zinc/38/89/01/705388901.db2.gz OHEBVDMTFWWNNZ-HNNXBMFYSA-N 2 2 342.447 1.653 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000998223309 705551205 /nfs/dbraw/zinc/55/12/05/705551205.db2.gz PBQBQCIQIVZZSY-APWZRJJASA-N 2 2 346.475 1.217 20 0 EDADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611546 705579883 /nfs/dbraw/zinc/57/98/83/705579883.db2.gz NJTJWGBHUFNFPC-OKZBNKHCSA-N 2 2 330.476 1.761 20 0 EDADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611546 705579884 /nfs/dbraw/zinc/57/98/84/705579884.db2.gz NJTJWGBHUFNFPC-OKZBNKHCSA-N 2 2 330.476 1.761 20 0 EDADLP Cc1nocc1C[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000998247942 705592704 /nfs/dbraw/zinc/59/27/04/705592704.db2.gz KTLHRVKGLMUSCF-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]Cc2ccnc(Cl)c2)CC1 ZINC000998296319 705698776 /nfs/dbraw/zinc/69/87/76/705698776.db2.gz DNKXIAXVXJKSJO-UHFFFAOYSA-N 2 2 347.850 1.960 20 0 EDADLP CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1C(F)(F)F ZINC000998305609 705708781 /nfs/dbraw/zinc/70/87/81/705708781.db2.gz QSQVUVQGBAEKSQ-CHWSQXEVSA-N 2 2 332.370 1.742 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999111533 706538121 /nfs/dbraw/zinc/53/81/21/706538121.db2.gz VESKBTNOUUYMFI-UHFFFAOYSA-N 2 2 338.415 1.461 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)[nH]1 ZINC000999345749 706854303 /nfs/dbraw/zinc/85/43/03/706854303.db2.gz AHBVFXWTIZPYJH-CQSZACIVSA-N 2 2 348.495 1.493 20 0 EDADLP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1)C1CCC1 ZINC000999362680 706876545 /nfs/dbraw/zinc/87/65/45/706876545.db2.gz CVDMAXVAYHIINL-AWEZNQCLSA-N 2 2 347.463 1.512 20 0 EDADLP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1)C1CCC1 ZINC000999362680 706876547 /nfs/dbraw/zinc/87/65/47/706876547.db2.gz CVDMAXVAYHIINL-AWEZNQCLSA-N 2 2 347.463 1.512 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999369737 706883422 /nfs/dbraw/zinc/88/34/22/706883422.db2.gz KKHLXPUSZCABBT-GDBMZVCRSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999533913 707034588 /nfs/dbraw/zinc/03/45/88/707034588.db2.gz BCNMIAWSPIAENC-HUUCEWRRSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999549160 707048663 /nfs/dbraw/zinc/04/86/63/707048663.db2.gz ROUIPFJYSAODOQ-DLBZAZTESA-N 2 2 339.443 1.621 20 0 EDADLP CCn1nncc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005013010 707116435 /nfs/dbraw/zinc/11/64/35/707116435.db2.gz YKFAWROCYOZFFQ-HOCLYGCPSA-N 2 2 345.451 1.054 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000999689150 707244395 /nfs/dbraw/zinc/24/43/95/707244395.db2.gz OKEINGBIUGKJBX-UHFFFAOYSA-N 2 2 331.395 1.276 20 0 EDADLP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC000999689231 707244493 /nfs/dbraw/zinc/24/44/93/707244493.db2.gz PYKADRFVDMOWOS-UHFFFAOYSA-N 2 2 344.463 1.519 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999773895 707333006 /nfs/dbraw/zinc/33/30/06/707333006.db2.gz DZFDNHJJZIBRMD-ZDUSSCGKSA-N 2 2 333.461 1.590 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000999752914 707354366 /nfs/dbraw/zinc/35/43/66/707354366.db2.gz JERFSJUQEQGJOD-UHFFFAOYSA-N 2 2 344.463 1.817 20 0 EDADLP C[C@H]([NH2+]Cc1nncn1C)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004836789 707388166 /nfs/dbraw/zinc/38/81/66/707388166.db2.gz UGRQDZAGWPTART-UONOGXRCSA-N 2 2 345.451 1.030 20 0 EDADLP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999789276 707406589 /nfs/dbraw/zinc/40/65/89/707406589.db2.gz GKMDDTQHPBKODE-GOEBONIOSA-N 2 2 349.504 1.493 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](CC[C@@H]3CCOC3)C2)c[nH+]1 ZINC001033192908 707422628 /nfs/dbraw/zinc/42/26/28/707422628.db2.gz QZPZTJBZEYLOSA-IAGOWNOFSA-N 2 2 348.491 1.886 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)c[nH+]1 ZINC001033192908 707422632 /nfs/dbraw/zinc/42/26/32/707422632.db2.gz QZPZTJBZEYLOSA-IAGOWNOFSA-N 2 2 348.491 1.886 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999871882 707515595 /nfs/dbraw/zinc/51/55/95/707515595.db2.gz NBIDRYIJRXUQHJ-HNNXBMFYSA-N 2 2 334.464 1.938 20 0 EDADLP CCn1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001004952428 707736062 /nfs/dbraw/zinc/73/60/62/707736062.db2.gz HYUPYQOGLFSROJ-YOEHRIQHSA-N 2 2 344.463 1.728 20 0 EDADLP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001004952907 707737289 /nfs/dbraw/zinc/73/72/89/707737289.db2.gz JGKZGCLDOMDFJZ-MLGOLLRUSA-N 2 2 331.420 1.808 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984501 707831512 /nfs/dbraw/zinc/83/15/12/707831512.db2.gz WPXUVHQMIANWJA-BBRMVZONSA-N 2 2 345.447 1.818 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033228915 707879731 /nfs/dbraw/zinc/87/97/31/707879731.db2.gz QJUCWPBLDUMQHJ-CQSZACIVSA-N 2 2 334.489 1.804 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033228915 707879738 /nfs/dbraw/zinc/87/97/38/707879738.db2.gz QJUCWPBLDUMQHJ-CQSZACIVSA-N 2 2 334.489 1.804 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)o1 ZINC001004995493 707882820 /nfs/dbraw/zinc/88/28/20/707882820.db2.gz XLOXCXLEPCEOHV-WFASDCNBSA-N 2 2 346.435 1.442 20 0 EDADLP Cc1nocc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005006884 707914175 /nfs/dbraw/zinc/91/41/75/707914175.db2.gz ACSSVFQGAQAZPG-GOEBONIOSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)co1 ZINC001005010993 707929357 /nfs/dbraw/zinc/92/93/57/707929357.db2.gz RFHZADQODMLMCV-BBRMVZONSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001000376841 708003476 /nfs/dbraw/zinc/00/34/76/708003476.db2.gz IVAPCTPRJDSTFT-OAHLLOKOSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC001001150623 708107743 /nfs/dbraw/zinc/10/77/43/708107743.db2.gz GYAYXHXRXAQGAS-KSSFIOAISA-N 2 2 345.491 1.175 20 0 EDADLP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC001001150623 708107746 /nfs/dbraw/zinc/10/77/46/708107746.db2.gz GYAYXHXRXAQGAS-KSSFIOAISA-N 2 2 345.491 1.175 20 0 EDADLP Cc1cc(C[N@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)nn1C ZINC001001150623 708107748 /nfs/dbraw/zinc/10/77/48/708107748.db2.gz GYAYXHXRXAQGAS-KSSFIOAISA-N 2 2 345.491 1.175 20 0 EDADLP Cc1cc(C[N@@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)nn1C ZINC001001150623 708107751 /nfs/dbraw/zinc/10/77/51/708107751.db2.gz GYAYXHXRXAQGAS-KSSFIOAISA-N 2 2 345.491 1.175 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532736 708156560 /nfs/dbraw/zinc/15/65/60/708156560.db2.gz UDQQTFYOXNRVDH-DLBZAZTESA-N 2 2 345.491 1.802 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532736 708156563 /nfs/dbraw/zinc/15/65/63/708156563.db2.gz UDQQTFYOXNRVDH-DLBZAZTESA-N 2 2 345.491 1.802 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001001630496 708171851 /nfs/dbraw/zinc/17/18/51/708171851.db2.gz VCHHLOJOTCHXKD-CQSZACIVSA-N 2 2 330.432 1.811 20 0 EDADLP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033554050 708219157 /nfs/dbraw/zinc/21/91/57/708219157.db2.gz KXJMAKCKTHNUPV-ZBFHGGJFSA-N 2 2 343.431 1.449 20 0 EDADLP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033554050 708219159 /nfs/dbraw/zinc/21/91/59/708219159.db2.gz KXJMAKCKTHNUPV-ZBFHGGJFSA-N 2 2 343.431 1.449 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001033590874 708288024 /nfs/dbraw/zinc/28/80/24/708288024.db2.gz RRGGVAKHWDREGV-DOTOQJQBSA-N 2 2 334.464 1.455 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001033590874 708288027 /nfs/dbraw/zinc/28/80/27/708288027.db2.gz RRGGVAKHWDREGV-DOTOQJQBSA-N 2 2 334.464 1.455 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033664112 708445408 /nfs/dbraw/zinc/44/54/08/708445408.db2.gz COCZTTCWLFDBGV-ZFWWWQNUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033664112 708445409 /nfs/dbraw/zinc/44/54/09/708445409.db2.gz COCZTTCWLFDBGV-ZFWWWQNUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001033664112 708445411 /nfs/dbraw/zinc/44/54/11/708445411.db2.gz COCZTTCWLFDBGV-ZFWWWQNUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001033664112 708445412 /nfs/dbraw/zinc/44/54/12/708445412.db2.gz COCZTTCWLFDBGV-ZFWWWQNUSA-N 2 2 336.867 1.719 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)s1 ZINC001033666279 708450943 /nfs/dbraw/zinc/45/09/43/708450943.db2.gz VLYVNHGWYJIMCS-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)s1 ZINC001033666279 708450945 /nfs/dbraw/zinc/45/09/45/708450945.db2.gz VLYVNHGWYJIMCS-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1nnc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC001002043374 708533595 /nfs/dbraw/zinc/53/35/95/708533595.db2.gz PMKJRMSOVAJJHZ-UHFFFAOYSA-N 2 2 349.504 1.271 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)s1 ZINC001033705115 708534313 /nfs/dbraw/zinc/53/43/13/708534313.db2.gz DYYOAMNUVGWOFV-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)s1 ZINC001033705115 708534314 /nfs/dbraw/zinc/53/43/14/708534314.db2.gz DYYOAMNUVGWOFV-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC001002044101 708535036 /nfs/dbraw/zinc/53/50/36/708535036.db2.gz ZHVTUPHDEGOQFM-ZDUSSCGKSA-N 2 2 346.479 1.098 20 0 EDADLP COCC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001002040892 708562208 /nfs/dbraw/zinc/56/22/08/708562208.db2.gz IDBXVNNXINYCNI-UHFFFAOYSA-N 2 2 343.431 1.356 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001033781749 708688823 /nfs/dbraw/zinc/68/88/23/708688823.db2.gz WTRFGMQGRJEPIE-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001033781749 708688824 /nfs/dbraw/zinc/68/88/24/708688824.db2.gz WTRFGMQGRJEPIE-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001033781749 708688825 /nfs/dbraw/zinc/68/88/25/708688825.db2.gz WTRFGMQGRJEPIE-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001033781749 708688826 /nfs/dbraw/zinc/68/88/26/708688826.db2.gz WTRFGMQGRJEPIE-MOPGFXCFSA-N 2 2 345.487 1.748 20 0 EDADLP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033788914 708699502 /nfs/dbraw/zinc/69/95/02/708699502.db2.gz LJVPXLJETUIWHE-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033788914 708699503 /nfs/dbraw/zinc/69/95/03/708699503.db2.gz LJVPXLJETUIWHE-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001033788914 708699505 /nfs/dbraw/zinc/69/95/05/708699505.db2.gz LJVPXLJETUIWHE-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001033788914 708699506 /nfs/dbraw/zinc/69/95/06/708699506.db2.gz LJVPXLJETUIWHE-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033777752 708704919 /nfs/dbraw/zinc/70/49/19/708704919.db2.gz WEVKWTQEYXWRCK-WBVHZDCISA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033777752 708704921 /nfs/dbraw/zinc/70/49/21/708704921.db2.gz WEVKWTQEYXWRCK-WBVHZDCISA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033777752 708704923 /nfs/dbraw/zinc/70/49/23/708704923.db2.gz WEVKWTQEYXWRCK-WBVHZDCISA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033777752 708704924 /nfs/dbraw/zinc/70/49/24/708704924.db2.gz WEVKWTQEYXWRCK-WBVHZDCISA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001033778192 708706544 /nfs/dbraw/zinc/70/65/44/708706544.db2.gz YGXWEBNNAAVWFD-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001033778192 708706545 /nfs/dbraw/zinc/70/65/45/708706545.db2.gz YGXWEBNNAAVWFD-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cncc(OC)n2)C1 ZINC001033778192 708706546 /nfs/dbraw/zinc/70/65/46/708706546.db2.gz YGXWEBNNAAVWFD-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cncc(OC)n2)C1 ZINC001033778192 708706547 /nfs/dbraw/zinc/70/65/47/708706547.db2.gz YGXWEBNNAAVWFD-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001033790713 708715544 /nfs/dbraw/zinc/71/55/44/708715544.db2.gz XCXBEKOMEIKKNC-WMZOPIPTSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001033790713 708715546 /nfs/dbraw/zinc/71/55/46/708715546.db2.gz XCXBEKOMEIKKNC-WMZOPIPTSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001033790713 708715550 /nfs/dbraw/zinc/71/55/50/708715550.db2.gz XCXBEKOMEIKKNC-WMZOPIPTSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2F)C1 ZINC001033790713 708715553 /nfs/dbraw/zinc/71/55/53/708715553.db2.gz XCXBEKOMEIKKNC-WMZOPIPTSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033837757 708867192 /nfs/dbraw/zinc/86/71/92/708867192.db2.gz JIPCNLPMPXWHLK-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033837757 708867193 /nfs/dbraw/zinc/86/71/93/708867193.db2.gz JIPCNLPMPXWHLK-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001033837757 708867196 /nfs/dbraw/zinc/86/71/96/708867196.db2.gz JIPCNLPMPXWHLK-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001033837757 708867198 /nfs/dbraw/zinc/86/71/98/708867198.db2.gz JIPCNLPMPXWHLK-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C)nc3C)C2)C1 ZINC001016303688 708907014 /nfs/dbraw/zinc/90/70/14/708907014.db2.gz BRRABDXGDWHUCH-QZTJIDSGSA-N 2 2 346.475 1.110 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C)nc3C)C2)C1 ZINC001016303688 708907017 /nfs/dbraw/zinc/90/70/17/708907017.db2.gz BRRABDXGDWHUCH-QZTJIDSGSA-N 2 2 346.475 1.110 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)nc3C)C2)C1 ZINC001016303688 708907023 /nfs/dbraw/zinc/90/70/23/708907023.db2.gz BRRABDXGDWHUCH-QZTJIDSGSA-N 2 2 346.475 1.110 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)nc3C)C2)C1 ZINC001016303688 708907025 /nfs/dbraw/zinc/90/70/25/708907025.db2.gz BRRABDXGDWHUCH-QZTJIDSGSA-N 2 2 346.475 1.110 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033863828 708938548 /nfs/dbraw/zinc/93/85/48/708938548.db2.gz CERXNJSSCNCVQO-GVDBMIGSSA-N 2 2 346.475 1.863 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033863828 708938550 /nfs/dbraw/zinc/93/85/50/708938550.db2.gz CERXNJSSCNCVQO-GVDBMIGSSA-N 2 2 346.475 1.863 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033863828 708938551 /nfs/dbraw/zinc/93/85/51/708938551.db2.gz CERXNJSSCNCVQO-GVDBMIGSSA-N 2 2 346.475 1.863 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033863828 708938552 /nfs/dbraw/zinc/93/85/52/708938552.db2.gz CERXNJSSCNCVQO-GVDBMIGSSA-N 2 2 346.475 1.863 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc[nH+]1 ZINC001061705543 708970481 /nfs/dbraw/zinc/97/04/81/708970481.db2.gz FKMWAGFUZXAKHM-IMJJTQAJSA-N 2 2 331.464 1.458 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc[nH+]1 ZINC001061705543 708970483 /nfs/dbraw/zinc/97/04/83/708970483.db2.gz FKMWAGFUZXAKHM-IMJJTQAJSA-N 2 2 331.464 1.458 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033927792 709058587 /nfs/dbraw/zinc/05/85/87/709058587.db2.gz PUVPVXWYGHQWPT-IRXDYDNUSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033927792 709058591 /nfs/dbraw/zinc/05/85/91/709058591.db2.gz PUVPVXWYGHQWPT-IRXDYDNUSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033927792 709058594 /nfs/dbraw/zinc/05/85/94/709058594.db2.gz PUVPVXWYGHQWPT-IRXDYDNUSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033927792 709058598 /nfs/dbraw/zinc/05/85/98/709058598.db2.gz PUVPVXWYGHQWPT-IRXDYDNUSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001034013958 709228654 /nfs/dbraw/zinc/22/86/54/709228654.db2.gz AKEXSQAFIVNLCN-OAHLLOKOSA-N 2 2 348.516 1.970 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001034013958 709228657 /nfs/dbraw/zinc/22/86/57/709228657.db2.gz AKEXSQAFIVNLCN-OAHLLOKOSA-N 2 2 348.516 1.970 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCC(F)(F)F)C2)C1 ZINC001034148563 709419986 /nfs/dbraw/zinc/41/99/86/709419986.db2.gz LHMITCIWASSQJY-STQMWFEESA-N 2 2 337.386 1.240 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](CCC(F)(F)F)C2)C1 ZINC001034148563 709419989 /nfs/dbraw/zinc/41/99/89/709419989.db2.gz LHMITCIWASSQJY-STQMWFEESA-N 2 2 337.386 1.240 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CCC(F)(F)F)C2)C1 ZINC001034148563 709419991 /nfs/dbraw/zinc/41/99/91/709419991.db2.gz LHMITCIWASSQJY-STQMWFEESA-N 2 2 337.386 1.240 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](CCC(F)(F)F)C2)C1 ZINC001034148563 709419993 /nfs/dbraw/zinc/41/99/93/709419993.db2.gz LHMITCIWASSQJY-STQMWFEESA-N 2 2 337.386 1.240 20 0 EDADLP CCc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001061175822 709474070 /nfs/dbraw/zinc/47/40/70/709474070.db2.gz RWQWWEIXVYDEBG-HOTGVXAUSA-N 2 2 345.491 1.869 20 0 EDADLP CCc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001061175822 709474071 /nfs/dbraw/zinc/47/40/71/709474071.db2.gz RWQWWEIXVYDEBG-HOTGVXAUSA-N 2 2 345.491 1.869 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001034214137 709566180 /nfs/dbraw/zinc/56/61/80/709566180.db2.gz HFECLASFZAVAMX-BZUAXINKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001034214137 709566182 /nfs/dbraw/zinc/56/61/82/709566182.db2.gz HFECLASFZAVAMX-BZUAXINKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001034214137 709566184 /nfs/dbraw/zinc/56/61/84/709566184.db2.gz HFECLASFZAVAMX-BZUAXINKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001034214137 709566189 /nfs/dbraw/zinc/56/61/89/709566189.db2.gz HFECLASFZAVAMX-BZUAXINKSA-N 2 2 334.464 1.794 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3nccn3C)C2)CC[N@@H+]1C ZINC001034216467 709571065 /nfs/dbraw/zinc/57/10/65/709571065.db2.gz HCTVIITZHBPRMO-IXDOHACOSA-N 2 2 347.507 1.621 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3nccn3C)C2)CC[N@H+]1C ZINC001034216467 709571068 /nfs/dbraw/zinc/57/10/68/709571068.db2.gz HCTVIITZHBPRMO-IXDOHACOSA-N 2 2 347.507 1.621 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3nccn3C)C2)CC[NH+]1C ZINC001034216467 709571071 /nfs/dbraw/zinc/57/10/71/709571071.db2.gz HCTVIITZHBPRMO-IXDOHACOSA-N 2 2 347.507 1.621 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccn3C)C2)CC[NH+]1C ZINC001034216467 709571076 /nfs/dbraw/zinc/57/10/76/709571076.db2.gz HCTVIITZHBPRMO-IXDOHACOSA-N 2 2 347.507 1.621 20 0 EDADLP CC1([NH+]2CCC2)CCC(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000922078434 709594695 /nfs/dbraw/zinc/59/46/95/709594695.db2.gz TYYUCFYUAQDWQR-CSLYMUCUSA-N 2 2 331.464 1.904 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)C2 ZINC001034278897 709694608 /nfs/dbraw/zinc/69/46/08/709694608.db2.gz MZWYKWLFCRUNEM-CABCVRRESA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)C2 ZINC001034278897 709694611 /nfs/dbraw/zinc/69/46/11/709694611.db2.gz MZWYKWLFCRUNEM-CABCVRRESA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)CC2 ZINC001034278897 709694615 /nfs/dbraw/zinc/69/46/15/709694615.db2.gz MZWYKWLFCRUNEM-CABCVRRESA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)CC2 ZINC001034278897 709694620 /nfs/dbraw/zinc/69/46/20/709694620.db2.gz MZWYKWLFCRUNEM-CABCVRRESA-N 2 2 334.464 1.176 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC001034308474 709748872 /nfs/dbraw/zinc/74/88/72/709748872.db2.gz BWOBCZROBKLMKM-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC001034308474 709748875 /nfs/dbraw/zinc/74/88/75/709748875.db2.gz BWOBCZROBKLMKM-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2c(C)noc2C)C1 ZINC001034309925 709753123 /nfs/dbraw/zinc/75/31/23/709753123.db2.gz QYEIOCLCGPASQO-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2c(C)noc2C)C1 ZINC001034309925 709753124 /nfs/dbraw/zinc/75/31/24/709753124.db2.gz QYEIOCLCGPASQO-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP Cc1noc([C@@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034382517 709907140 /nfs/dbraw/zinc/90/71/40/709907140.db2.gz QKICIJIZAPRKPO-CZUORRHYSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1noc([C@@H](C)[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034382517 709907142 /nfs/dbraw/zinc/90/71/42/709907142.db2.gz QKICIJIZAPRKPO-CZUORRHYSA-N 2 2 349.479 1.752 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474746 710079928 /nfs/dbraw/zinc/07/99/28/710079928.db2.gz YTMVKVYVYKULAX-CABCVRRESA-N 2 2 343.431 1.232 20 0 EDADLP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474746 710079931 /nfs/dbraw/zinc/07/99/31/710079931.db2.gz YTMVKVYVYKULAX-CABCVRRESA-N 2 2 343.431 1.232 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1)OC ZINC001003180394 710096345 /nfs/dbraw/zinc/09/63/45/710096345.db2.gz RMJQPJOCCABWMB-YOEHRIQHSA-N 2 2 334.464 1.451 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](CCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001034469800 710101184 /nfs/dbraw/zinc/10/11/84/710101184.db2.gz YECARIZHUGHGLF-INIZCTEOSA-N 2 2 328.416 1.449 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](CCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001034469800 710101186 /nfs/dbraw/zinc/10/11/86/710101186.db2.gz YECARIZHUGHGLF-INIZCTEOSA-N 2 2 328.416 1.449 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)oc1C ZINC001034488228 710136765 /nfs/dbraw/zinc/13/67/65/710136765.db2.gz SHCRGUMHWUTKRJ-INIZCTEOSA-N 2 2 346.475 1.858 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)oc1C ZINC001034488228 710136768 /nfs/dbraw/zinc/13/67/68/710136768.db2.gz SHCRGUMHWUTKRJ-INIZCTEOSA-N 2 2 346.475 1.858 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC001003244544 710167540 /nfs/dbraw/zinc/16/75/40/710167540.db2.gz QBVSCRBUYVHHOW-CYBMUJFWSA-N 2 2 347.463 1.648 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525869 710176940 /nfs/dbraw/zinc/17/69/40/710176940.db2.gz QRIYCYDVRVDFQQ-JKSUJKDBSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525869 710176943 /nfs/dbraw/zinc/17/69/43/710176943.db2.gz QRIYCYDVRVDFQQ-JKSUJKDBSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525869 710176946 /nfs/dbraw/zinc/17/69/46/710176946.db2.gz QRIYCYDVRVDFQQ-JKSUJKDBSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525869 710176950 /nfs/dbraw/zinc/17/69/50/710176950.db2.gz QRIYCYDVRVDFQQ-JKSUJKDBSA-N 2 2 331.464 1.207 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034534149 710195590 /nfs/dbraw/zinc/19/55/90/710195590.db2.gz INSYCHWTKWEBLK-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034534149 710195591 /nfs/dbraw/zinc/19/55/91/710195591.db2.gz INSYCHWTKWEBLK-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccn3)C2)C1 ZINC001034534149 710195593 /nfs/dbraw/zinc/19/55/93/710195593.db2.gz INSYCHWTKWEBLK-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccn3)C2)C1 ZINC001034534149 710195595 /nfs/dbraw/zinc/19/55/95/710195595.db2.gz INSYCHWTKWEBLK-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)ncn1 ZINC001034546560 710220611 /nfs/dbraw/zinc/22/06/11/710220611.db2.gz HSQNJOPJCHAFPR-OAHLLOKOSA-N 2 2 328.420 1.152 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)ncn1 ZINC001034546560 710220613 /nfs/dbraw/zinc/22/06/13/710220613.db2.gz HSQNJOPJCHAFPR-OAHLLOKOSA-N 2 2 328.420 1.152 20 0 EDADLP CCOC1CC(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001034547541 710221804 /nfs/dbraw/zinc/22/18/04/710221804.db2.gz UEEVPPAPGLBZDX-CGZBRXJRSA-N 2 2 334.464 1.669 20 0 EDADLP CCOC1CC(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001034547541 710221806 /nfs/dbraw/zinc/22/18/06/710221806.db2.gz UEEVPPAPGLBZDX-CGZBRXJRSA-N 2 2 334.464 1.669 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cnns3)CC2)CC[N@@H+]1C ZINC001003493259 710375828 /nfs/dbraw/zinc/37/58/28/710375828.db2.gz UMZLUNWKHAQOMA-STQMWFEESA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cnns3)CC2)CC[N@H+]1C ZINC001003493259 710375830 /nfs/dbraw/zinc/37/58/30/710375830.db2.gz UMZLUNWKHAQOMA-STQMWFEESA-N 2 2 337.493 1.349 20 0 EDADLP C[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)CC1 ZINC001003548609 710414191 /nfs/dbraw/zinc/41/41/91/710414191.db2.gz SEMMZHPRSPCVPS-UHFFFAOYSA-N 2 2 345.491 1.252 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)nn1C ZINC001003625703 710454936 /nfs/dbraw/zinc/45/49/36/710454936.db2.gz JULXFKCBTRDMPD-AWEZNQCLSA-N 2 2 333.480 1.151 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1C ZINC001003625703 710454938 /nfs/dbraw/zinc/45/49/38/710454938.db2.gz JULXFKCBTRDMPD-AWEZNQCLSA-N 2 2 333.480 1.151 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003626397 710455514 /nfs/dbraw/zinc/45/55/14/710455514.db2.gz OADRADBMHQKNJI-OAHLLOKOSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003626397 710455515 /nfs/dbraw/zinc/45/55/15/710455515.db2.gz OADRADBMHQKNJI-OAHLLOKOSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)nn1 ZINC001003631849 710460649 /nfs/dbraw/zinc/46/06/49/710460649.db2.gz VXBXZVHMSDMVMV-UHFFFAOYSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)nn1 ZINC001003631849 710460650 /nfs/dbraw/zinc/46/06/50/710460650.db2.gz VXBXZVHMSDMVMV-UHFFFAOYSA-N 2 2 348.495 1.111 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)cc(C)[nH+]1 ZINC001061327641 710587782 /nfs/dbraw/zinc/58/77/82/710587782.db2.gz LEXICEOQUOKAKJ-LSDHHAIUSA-N 2 2 331.464 1.527 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)cc(C)[nH+]1 ZINC001061327641 710587785 /nfs/dbraw/zinc/58/77/85/710587785.db2.gz LEXICEOQUOKAKJ-LSDHHAIUSA-N 2 2 331.464 1.527 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001005590630 710646070 /nfs/dbraw/zinc/64/60/70/710646070.db2.gz BAJLMGQUICOXAW-XJKSGUPXSA-N 2 2 349.479 1.846 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC001005590630 710646073 /nfs/dbraw/zinc/64/60/73/710646073.db2.gz BAJLMGQUICOXAW-XJKSGUPXSA-N 2 2 349.479 1.846 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC001003844264 710684425 /nfs/dbraw/zinc/68/44/25/710684425.db2.gz FTHLSVCKMLDAEW-QGZVFWFLSA-N 2 2 342.443 1.136 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005620517 710727869 /nfs/dbraw/zinc/72/78/69/710727869.db2.gz FHVLHZAGUSYPDG-JKSUJKDBSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001032944012 710918318 /nfs/dbraw/zinc/91/83/18/710918318.db2.gz HPIICEQKVONBJA-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001032944012 710918321 /nfs/dbraw/zinc/91/83/21/710918321.db2.gz HPIICEQKVONBJA-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001032944012 710918328 /nfs/dbraw/zinc/91/83/28/710918328.db2.gz HPIICEQKVONBJA-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP CC(C)n1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)nn1 ZINC001034743842 710946030 /nfs/dbraw/zinc/94/60/30/710946030.db2.gz CMASDLINRJCRTM-HDJSIYSDSA-N 2 2 345.451 1.342 20 0 EDADLP c1cc2c(c(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)c1)OCC2 ZINC000922337005 711125073 /nfs/dbraw/zinc/12/50/73/711125073.db2.gz HDRPRPDIFKWLPP-LJQANCHMSA-N 2 2 345.487 1.508 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001034800986 711140603 /nfs/dbraw/zinc/14/06/03/711140603.db2.gz BSQYNCGQGVKWLX-WKILWMFISA-N 2 2 328.420 1.199 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034801181 711140999 /nfs/dbraw/zinc/14/09/99/711140999.db2.gz GTVJDCBQWLVCES-SHTZXODSSA-N 2 2 328.420 1.199 20 0 EDADLP Cc1nonc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001034830713 711236024 /nfs/dbraw/zinc/23/60/24/711236024.db2.gz BAOHOMVLAZVTDD-MRXNPFEDSA-N 2 2 343.431 1.236 20 0 EDADLP Cc1nonc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001034830713 711236028 /nfs/dbraw/zinc/23/60/28/711236028.db2.gz BAOHOMVLAZVTDD-MRXNPFEDSA-N 2 2 343.431 1.236 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC2CC2)no1 ZINC001034884935 711289048 /nfs/dbraw/zinc/28/90/48/711289048.db2.gz NQMAJRQMOUBWGE-CABCVRRESA-N 2 2 347.463 1.197 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC2CC2)no1 ZINC001034884935 711289051 /nfs/dbraw/zinc/28/90/51/711289051.db2.gz NQMAJRQMOUBWGE-CABCVRRESA-N 2 2 347.463 1.197 20 0 EDADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001034891691 711347841 /nfs/dbraw/zinc/34/78/41/711347841.db2.gz ZFJLNRHWEGBEPO-MSOLQXFVSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001034891691 711347842 /nfs/dbraw/zinc/34/78/42/711347842.db2.gz ZFJLNRHWEGBEPO-MSOLQXFVSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]ccn32)o1 ZINC001034958319 711431895 /nfs/dbraw/zinc/43/18/95/711431895.db2.gz HHIMZGGIAIYSKW-HUUCEWRRSA-N 2 2 343.431 1.838 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001034972233 711452230 /nfs/dbraw/zinc/45/22/30/711452230.db2.gz DCOJDDXNFBZDGQ-HUUCEWRRSA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001034972233 711452232 /nfs/dbraw/zinc/45/22/32/711452232.db2.gz DCOJDDXNFBZDGQ-HUUCEWRRSA-N 2 2 347.463 1.512 20 0 EDADLP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001004147199 711558724 /nfs/dbraw/zinc/55/87/24/711558724.db2.gz FDHDLEZHVZNPPF-UHFFFAOYSA-N 2 2 342.896 1.973 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004543447 711954304 /nfs/dbraw/zinc/95/43/04/711954304.db2.gz PGYSLLPJRRYNQQ-WBVHZDCISA-N 2 2 346.475 1.525 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004543447 711954306 /nfs/dbraw/zinc/95/43/06/711954306.db2.gz PGYSLLPJRRYNQQ-WBVHZDCISA-N 2 2 346.475 1.525 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004553816 711980225 /nfs/dbraw/zinc/98/02/25/711980225.db2.gz VISLWDNPAOLAND-BRWVUGGUSA-N 2 2 346.475 1.219 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004553816 711980226 /nfs/dbraw/zinc/98/02/26/711980226.db2.gz VISLWDNPAOLAND-BRWVUGGUSA-N 2 2 346.475 1.219 20 0 EDADLP Cc1ncc(Br)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000561033764 306281622 /nfs/dbraw/zinc/28/16/22/306281622.db2.gz XMUCBBOAUSEQLU-LLVKDONJSA-N 2 2 342.241 1.259 20 0 EDADLP Cc1ncc(Br)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000561033764 306281623 /nfs/dbraw/zinc/28/16/23/306281623.db2.gz XMUCBBOAUSEQLU-LLVKDONJSA-N 2 2 342.241 1.259 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000561203605 306284507 /nfs/dbraw/zinc/28/45/07/306284507.db2.gz DWJCNNTUVQWMML-UHFFFAOYSA-N 2 2 332.448 1.274 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)CC2 ZINC000561302033 306286574 /nfs/dbraw/zinc/28/65/74/306286574.db2.gz UKKLDSUQQIWTHP-MRXNPFEDSA-N 2 2 348.491 1.571 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345096783 539824314 /nfs/dbraw/zinc/82/43/14/539824314.db2.gz CMVYCWWWYCIMFD-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000562810243 306310066 /nfs/dbraw/zinc/31/00/66/306310066.db2.gz BWORGNZBCRLRLM-BQFCYCMXSA-N 3 2 347.507 1.271 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000562810243 306310067 /nfs/dbraw/zinc/31/00/67/306310067.db2.gz BWORGNZBCRLRLM-BQFCYCMXSA-N 3 2 347.507 1.271 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2nn(C)c3ccccc23)C[C@@H](C)O1 ZINC000563014508 306316011 /nfs/dbraw/zinc/31/60/11/306316011.db2.gz XJJJHQSRYITUKS-BZUAXINKSA-N 2 2 346.475 1.176 20 0 EDADLP CCc1cc(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)nc(C)[nH+]1 ZINC000275619802 540060167 /nfs/dbraw/zinc/06/01/67/540060167.db2.gz JFVOFOOXBNIVIY-CQSZACIVSA-N 2 2 327.436 1.430 20 0 EDADLP CCc1cc(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)nc(C)[nH+]1 ZINC000275619802 540060169 /nfs/dbraw/zinc/06/01/69/540060169.db2.gz JFVOFOOXBNIVIY-CQSZACIVSA-N 2 2 327.436 1.430 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385723005 540188983 /nfs/dbraw/zinc/18/89/83/540188983.db2.gz NJHRGNZVNNWLTM-PKOBYXMFSA-N 3 2 344.503 1.261 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385723005 540188984 /nfs/dbraw/zinc/18/89/84/540188984.db2.gz NJHRGNZVNNWLTM-PKOBYXMFSA-N 3 2 344.503 1.261 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCCC[C@@H]1C ZINC000343608789 291078596 /nfs/dbraw/zinc/07/85/96/291078596.db2.gz VLWPFLYYZSJTDP-DLBZAZTESA-N 2 2 325.497 1.535 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCCC[C@@H]1C ZINC000343608789 291078599 /nfs/dbraw/zinc/07/85/99/291078599.db2.gz VLWPFLYYZSJTDP-DLBZAZTESA-N 2 2 325.497 1.535 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)CCN2C1=O ZINC000563442751 306333361 /nfs/dbraw/zinc/33/33/61/306333361.db2.gz SVAKROCSDFOCAA-YGRLFVJLSA-N 2 2 327.787 1.102 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)CCN2C1=O ZINC000563442751 306333362 /nfs/dbraw/zinc/33/33/62/306333362.db2.gz SVAKROCSDFOCAA-YGRLFVJLSA-N 2 2 327.787 1.102 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000182592813 283162757 /nfs/dbraw/zinc/16/27/57/283162757.db2.gz DIARIOBCQGGAPI-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000182592813 283162758 /nfs/dbraw/zinc/16/27/58/283162758.db2.gz DIARIOBCQGGAPI-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000182592813 283162759 /nfs/dbraw/zinc/16/27/59/283162759.db2.gz DIARIOBCQGGAPI-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000182592813 283162760 /nfs/dbraw/zinc/16/27/60/283162760.db2.gz DIARIOBCQGGAPI-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000085391856 138270607 /nfs/dbraw/zinc/27/06/07/138270607.db2.gz XJRIBODWRJRBEA-HOCLYGCPSA-N 2 2 333.480 1.744 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000085391856 138270608 /nfs/dbraw/zinc/27/06/08/138270608.db2.gz XJRIBODWRJRBEA-HOCLYGCPSA-N 2 2 333.480 1.744 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000085424186 138270679 /nfs/dbraw/zinc/27/06/79/138270679.db2.gz NNIAGOPVQGPVRE-OAHLLOKOSA-N 3 2 341.544 1.288 20 0 EDADLP C[NH+]1CCC(CNC(=O)C2(O)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000086588977 138271278 /nfs/dbraw/zinc/27/12/78/138271278.db2.gz ZJJTVRNFNLIKCZ-UHFFFAOYSA-N 2 2 337.508 1.748 20 0 EDADLP Cc1cccc(OCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000104069535 138299665 /nfs/dbraw/zinc/29/96/65/138299665.db2.gz GITMMQLQBIDGIK-SFHVURJKSA-N 2 2 331.460 1.788 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)[C@H](C[NH3+])C1 ZINC000563586126 306340042 /nfs/dbraw/zinc/34/00/42/306340042.db2.gz GJSOIKJVNVSNIN-SJORKVTESA-N 2 2 348.491 1.073 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)[C@H](C[NH3+])C1 ZINC000563586126 306340043 /nfs/dbraw/zinc/34/00/43/306340043.db2.gz GJSOIKJVNVSNIN-SJORKVTESA-N 2 2 348.491 1.073 20 0 EDADLP COC(=O)CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000093191287 138292354 /nfs/dbraw/zinc/29/23/54/138292354.db2.gz IPVURVWNEUSDFR-UHFFFAOYSA-N 2 2 347.459 1.216 20 0 EDADLP COC(=O)CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000093191287 138292355 /nfs/dbraw/zinc/29/23/55/138292355.db2.gz IPVURVWNEUSDFR-UHFFFAOYSA-N 2 2 347.459 1.216 20 0 EDADLP Cc1ccn2c(CN3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c[nH+]c2c1 ZINC000093821092 138294807 /nfs/dbraw/zinc/29/48/07/138294807.db2.gz VAZJAZPNLRFYHI-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1ccn2c(CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c[nH+]c2c1 ZINC000093821092 138294808 /nfs/dbraw/zinc/29/48/08/138294808.db2.gz VAZJAZPNLRFYHI-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918429 138302856 /nfs/dbraw/zinc/30/28/56/138302856.db2.gz GSVSAAXCMYENPH-UHFFFAOYSA-N 2 2 330.436 1.653 20 0 EDADLP CCCc1noc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000109788980 138306115 /nfs/dbraw/zinc/30/61/15/138306115.db2.gz CJJBBZKAIUBHJA-UHFFFAOYSA-N 2 2 349.479 1.398 20 0 EDADLP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000124656352 138328567 /nfs/dbraw/zinc/32/85/67/138328567.db2.gz CMHYXFDSMRKZEI-UHFFFAOYSA-N 2 2 342.487 1.111 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000174112468 295951670 /nfs/dbraw/zinc/95/16/70/295951670.db2.gz GJDACIYGGROWKE-IRXDYDNUSA-N 2 2 338.496 1.225 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)CC[N@@H+]1CCOC ZINC000563814942 306348335 /nfs/dbraw/zinc/34/83/35/306348335.db2.gz YOYHJRIIFPDAEA-OCCSQVGLSA-N 2 2 326.466 1.102 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)CC[N@H+]1CCOC ZINC000563814942 306348336 /nfs/dbraw/zinc/34/83/36/306348336.db2.gz YOYHJRIIFPDAEA-OCCSQVGLSA-N 2 2 326.466 1.102 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369664460 155131909 /nfs/dbraw/zinc/13/19/09/155131909.db2.gz LWOWDZXDKVOIOK-UKRRQHHQSA-N 2 2 330.436 1.586 20 0 EDADLP COC[C@@H](C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175095218 138691432 /nfs/dbraw/zinc/69/14/32/138691432.db2.gz IDIUYUMBDMIXEI-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP CN1CC[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1=O ZINC000564846130 306367117 /nfs/dbraw/zinc/36/71/17/306367117.db2.gz FZJOLGSHOBBNAX-LBPRGKRZSA-N 2 2 337.387 1.491 20 0 EDADLP Cc1nc(N2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)cc[nH+]1 ZINC000564941075 306370656 /nfs/dbraw/zinc/37/06/56/306370656.db2.gz YNNFTJAHUBHLNT-KRWDZBQOSA-N 2 2 339.443 1.914 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3cccc(CO)n3)c2cc1C ZINC000565302728 306381318 /nfs/dbraw/zinc/38/13/18/306381318.db2.gz GUSJSQHJQOETSU-KRWDZBQOSA-N 2 2 340.427 1.691 20 0 EDADLP CCS(=O)(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000118396856 201077902 /nfs/dbraw/zinc/07/79/02/201077902.db2.gz NHKSEJIVPCVRRJ-HUUCEWRRSA-N 2 2 332.510 1.242 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136820284 201134412 /nfs/dbraw/zinc/13/44/12/201134412.db2.gz YIUISINZFZZUPR-CVEARBPZSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000136820284 201134416 /nfs/dbraw/zinc/13/44/16/201134416.db2.gz YIUISINZFZZUPR-CVEARBPZSA-N 2 2 331.464 1.773 20 0 EDADLP COc1ccc(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(OC)c1OC ZINC000414348084 304109496 /nfs/dbraw/zinc/10/94/96/304109496.db2.gz XDGJQLFPVWDBGA-UHFFFAOYSA-N 2 2 348.447 1.844 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCNC(=O)c2c(F)cccc2F)n1C ZINC000414354395 304110736 /nfs/dbraw/zinc/11/07/36/304110736.db2.gz VFBFBZRYDYJKOG-UHFFFAOYSA-N 2 2 337.374 1.284 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)nn1C ZINC000414439904 304114653 /nfs/dbraw/zinc/11/46/53/304114653.db2.gz UDCBCBMHRSOLFJ-ZFWWWQNUSA-N 2 2 347.442 1.291 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c2[nH+]ccn2C)cc1 ZINC000566171745 306401675 /nfs/dbraw/zinc/40/16/75/306401675.db2.gz ZGVNAFZYCINYTA-WQVCFCJDSA-N 2 2 328.416 1.632 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000566296312 306407689 /nfs/dbraw/zinc/40/76/89/306407689.db2.gz DVZGPFREGOYXGP-SFHVURJKSA-N 2 2 330.476 1.457 20 0 EDADLP CC(C)N1CCO[C@H](C[NH+]2CCN(CC[NH2+]C(C)(C)C)CC2)C1 ZINC000414696383 304128876 /nfs/dbraw/zinc/12/88/76/304128876.db2.gz PGQYQJWZKWAVSA-QGZVFWFLSA-N 2 2 326.529 1.101 20 0 EDADLP Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000566406684 306411874 /nfs/dbraw/zinc/41/18/74/306411874.db2.gz NKAWKHJKSRSWBW-LPHOPBHVSA-N 2 2 345.487 1.956 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)n1C ZINC000566631005 306422943 /nfs/dbraw/zinc/42/29/43/306422943.db2.gz IHWUCLRIXFLHTA-UHFFFAOYSA-N 2 2 328.416 1.491 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496631808 296129169 /nfs/dbraw/zinc/12/91/69/296129169.db2.gz IESJTMXCZWLRTO-ZBFHGGJFSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496631808 296129171 /nfs/dbraw/zinc/12/91/71/296129171.db2.gz IESJTMXCZWLRTO-ZBFHGGJFSA-N 2 2 341.496 1.678 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000372757203 296138912 /nfs/dbraw/zinc/13/89/12/296138912.db2.gz JVQFNVXQMLLSMP-GOSISDBHSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000372757203 296138915 /nfs/dbraw/zinc/13/89/15/296138915.db2.gz JVQFNVXQMLLSMP-GOSISDBHSA-N 2 2 335.492 1.717 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3F)C2)CC1 ZINC000107368238 204234366 /nfs/dbraw/zinc/23/43/66/204234366.db2.gz OZJFVVGQEISVRM-QAPCUYQASA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(F)cc3F)C2)CC1 ZINC000107368238 204234370 /nfs/dbraw/zinc/23/43/70/204234370.db2.gz OZJFVVGQEISVRM-QAPCUYQASA-N 2 2 339.430 1.710 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195026224 139005059 /nfs/dbraw/zinc/00/50/59/139005059.db2.gz QINFNZPCXSBBBX-SFHVURJKSA-N 2 2 342.491 1.757 20 0 EDADLP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195026224 139005060 /nfs/dbraw/zinc/00/50/60/139005060.db2.gz QINFNZPCXSBBBX-SFHVURJKSA-N 2 2 342.491 1.757 20 0 EDADLP COc1ccc(Br)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000228723906 139023668 /nfs/dbraw/zinc/02/36/68/139023668.db2.gz ONCAMEVXDGHOKV-CQSZACIVSA-N 2 2 331.254 1.860 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CSC[NH2+]3)c(C)c2)CC1 ZINC000237010109 139037903 /nfs/dbraw/zinc/03/79/03/139037903.db2.gz RWDHPKSYTBNIRL-INIZCTEOSA-N 2 2 334.489 1.738 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000237087652 139040315 /nfs/dbraw/zinc/04/03/15/139040315.db2.gz CKFMPCSFDYZGPB-MAUKXSAKSA-N 2 2 349.475 1.387 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115548213 205054183 /nfs/dbraw/zinc/05/41/83/205054183.db2.gz ZMDDVXPPCYGANV-IAGOWNOFSA-N 2 2 339.524 1.945 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115548213 205054185 /nfs/dbraw/zinc/05/41/85/205054185.db2.gz ZMDDVXPPCYGANV-IAGOWNOFSA-N 2 2 339.524 1.945 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237566197 139054239 /nfs/dbraw/zinc/05/42/39/139054239.db2.gz IGCSHBVCEJXECS-PBHICJAKSA-N 2 2 348.491 1.961 20 0 EDADLP C[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000237563921 139054312 /nfs/dbraw/zinc/05/43/12/139054312.db2.gz PUMKLOOBUFFGHZ-MJGOQNOKSA-N 2 2 331.460 1.393 20 0 EDADLP C[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000237563921 139054313 /nfs/dbraw/zinc/05/43/13/139054313.db2.gz PUMKLOOBUFFGHZ-MJGOQNOKSA-N 2 2 331.460 1.393 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237674601 139057662 /nfs/dbraw/zinc/05/76/62/139057662.db2.gz HIIVBKRVOWPNBO-VQIMIIECSA-N 2 2 345.491 1.241 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3cn(C4CC[NH2+]CC4)nn3)[nH+]c12 ZINC000237849312 139061841 /nfs/dbraw/zinc/06/18/41/139061841.db2.gz FPLBWSSCFDAFGD-UHFFFAOYSA-N 2 2 339.403 1.089 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245445594 139075208 /nfs/dbraw/zinc/07/52/08/139075208.db2.gz ZAWDNPNXZKTPKL-FUHWJXTLSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245445594 139075209 /nfs/dbraw/zinc/07/52/09/139075209.db2.gz ZAWDNPNXZKTPKL-FUHWJXTLSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000245552243 139079226 /nfs/dbraw/zinc/07/92/26/139079226.db2.gz POASTZZBBONZKH-BZUAXINKSA-N 2 2 331.464 1.642 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000245552243 139079227 /nfs/dbraw/zinc/07/92/27/139079227.db2.gz POASTZZBBONZKH-BZUAXINKSA-N 2 2 331.464 1.642 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245500961 139077071 /nfs/dbraw/zinc/07/70/71/139077071.db2.gz AJEXGPZLZLELDQ-IAGOWNOFSA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245500961 139077072 /nfs/dbraw/zinc/07/70/72/139077072.db2.gz AJEXGPZLZLELDQ-IAGOWNOFSA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245500961 139077073 /nfs/dbraw/zinc/07/70/73/139077073.db2.gz AJEXGPZLZLELDQ-IAGOWNOFSA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245500961 139077074 /nfs/dbraw/zinc/07/70/74/139077074.db2.gz AJEXGPZLZLELDQ-IAGOWNOFSA-N 2 2 345.553 1.902 20 0 EDADLP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156984649 206108933 /nfs/dbraw/zinc/10/89/33/206108933.db2.gz HFOHWYKNJXCBOI-GOEBONIOSA-N 2 2 332.448 1.427 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156984649 206108939 /nfs/dbraw/zinc/10/89/39/206108939.db2.gz HFOHWYKNJXCBOI-GOEBONIOSA-N 2 2 332.448 1.427 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156984649 206108943 /nfs/dbraw/zinc/10/89/43/206108943.db2.gz HFOHWYKNJXCBOI-GOEBONIOSA-N 2 2 332.448 1.427 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156984649 206108949 /nfs/dbraw/zinc/10/89/49/206108949.db2.gz HFOHWYKNJXCBOI-GOEBONIOSA-N 2 2 332.448 1.427 20 0 EDADLP Cc1ccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c(C)[nH+]1 ZINC000415284294 304185380 /nfs/dbraw/zinc/18/53/80/304185380.db2.gz OWMMIGUEPCKYTD-CQSZACIVSA-N 2 2 333.436 1.550 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000159231876 206232512 /nfs/dbraw/zinc/23/25/12/206232512.db2.gz PBBPKPAKIITZQE-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000159231876 206232516 /nfs/dbraw/zinc/23/25/16/206232516.db2.gz PBBPKPAKIITZQE-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000246287104 139102581 /nfs/dbraw/zinc/10/25/81/139102581.db2.gz AFGUBOZTJTWBPW-QAPCUYQASA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000246287104 139102582 /nfs/dbraw/zinc/10/25/82/139102582.db2.gz AFGUBOZTJTWBPW-QAPCUYQASA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000246287104 139102583 /nfs/dbraw/zinc/10/25/83/139102583.db2.gz AFGUBOZTJTWBPW-QAPCUYQASA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000246287104 139102584 /nfs/dbraw/zinc/10/25/84/139102584.db2.gz AFGUBOZTJTWBPW-QAPCUYQASA-N 2 2 335.492 1.620 20 0 EDADLP C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000246458042 139109244 /nfs/dbraw/zinc/10/92/44/139109244.db2.gz PLMFEYXVCZWTFC-IKGGRYGDSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000246458042 139109245 /nfs/dbraw/zinc/10/92/45/139109245.db2.gz PLMFEYXVCZWTFC-IKGGRYGDSA-N 2 2 340.512 1.659 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCOCC3(C)C)CC[C@H]21 ZINC000246554267 139112713 /nfs/dbraw/zinc/11/27/13/139112713.db2.gz BDNHGISRAPFIFG-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCOCC3(C)C)CC[C@H]21 ZINC000246554267 139112714 /nfs/dbraw/zinc/11/27/14/139112714.db2.gz BDNHGISRAPFIFG-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@H]2CN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC[C@H]21 ZINC000246554267 139112715 /nfs/dbraw/zinc/11/27/15/139112715.db2.gz BDNHGISRAPFIFG-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@H]2CN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC[C@H]21 ZINC000246554267 139112716 /nfs/dbraw/zinc/11/27/16/139112716.db2.gz BDNHGISRAPFIFG-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP CCc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000568033165 306470051 /nfs/dbraw/zinc/47/00/51/306470051.db2.gz DCHLBQCKKJVZNX-GOSISDBHSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000246851778 139124200 /nfs/dbraw/zinc/12/42/00/139124200.db2.gz VBVRDGHDZBGONX-GJZGRUSLSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000246851778 139124201 /nfs/dbraw/zinc/12/42/01/139124201.db2.gz VBVRDGHDZBGONX-GJZGRUSLSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247082027 139134663 /nfs/dbraw/zinc/13/46/63/139134663.db2.gz UFUXNHFSJMRTNZ-QWRGUYRKSA-N 2 2 338.374 1.037 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247082027 139134664 /nfs/dbraw/zinc/13/46/64/139134664.db2.gz UFUXNHFSJMRTNZ-QWRGUYRKSA-N 2 2 338.374 1.037 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247082027 139134665 /nfs/dbraw/zinc/13/46/65/139134665.db2.gz UFUXNHFSJMRTNZ-QWRGUYRKSA-N 2 2 338.374 1.037 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247082027 139134666 /nfs/dbraw/zinc/13/46/66/139134666.db2.gz UFUXNHFSJMRTNZ-QWRGUYRKSA-N 2 2 338.374 1.037 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000247176126 139138844 /nfs/dbraw/zinc/13/88/44/139138844.db2.gz YWXNQEIIYGPXFP-MISYRCLQSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000247176126 139138845 /nfs/dbraw/zinc/13/88/45/139138845.db2.gz YWXNQEIIYGPXFP-MISYRCLQSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247176126 139138846 /nfs/dbraw/zinc/13/88/46/139138846.db2.gz YWXNQEIIYGPXFP-MISYRCLQSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247176126 139138847 /nfs/dbraw/zinc/13/88/47/139138847.db2.gz YWXNQEIIYGPXFP-MISYRCLQSA-N 2 2 346.519 1.992 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000247371501 139146265 /nfs/dbraw/zinc/14/62/65/139146265.db2.gz RYLWCUXWTXYFHY-HUUCEWRRSA-N 2 2 332.448 1.997 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000247371501 139146266 /nfs/dbraw/zinc/14/62/66/139146266.db2.gz RYLWCUXWTXYFHY-HUUCEWRRSA-N 2 2 332.448 1.997 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000247371501 139146267 /nfs/dbraw/zinc/14/62/67/139146267.db2.gz RYLWCUXWTXYFHY-HUUCEWRRSA-N 2 2 332.448 1.997 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000247371501 139146268 /nfs/dbraw/zinc/14/62/68/139146268.db2.gz RYLWCUXWTXYFHY-HUUCEWRRSA-N 2 2 332.448 1.997 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000247596602 139153111 /nfs/dbraw/zinc/15/31/11/139153111.db2.gz MWCKELDYAVBNGP-NCOADZHNSA-N 2 2 349.479 1.585 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000248141979 139158744 /nfs/dbraw/zinc/15/87/44/139158744.db2.gz PSQQVKHFWNDPIM-FXAWDEMLSA-N 3 2 346.519 1.586 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000248141979 139158745 /nfs/dbraw/zinc/15/87/45/139158745.db2.gz PSQQVKHFWNDPIM-FXAWDEMLSA-N 3 2 346.519 1.586 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O)c1ccccc1 ZINC000249285935 139190472 /nfs/dbraw/zinc/19/04/72/139190472.db2.gz IOKVMXWXTSZMBI-VQIMIIECSA-N 2 2 346.475 1.135 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)CC1 ZINC000250292891 139200966 /nfs/dbraw/zinc/20/09/66/139200966.db2.gz VMQAHFFYXJCWCB-ZWKOTPCHSA-N 2 2 337.508 1.726 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)CC1 ZINC000250292891 139200967 /nfs/dbraw/zinc/20/09/67/139200967.db2.gz VMQAHFFYXJCWCB-ZWKOTPCHSA-N 2 2 337.508 1.726 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000250289712 139201018 /nfs/dbraw/zinc/20/10/18/139201018.db2.gz PRBDQPWIYLKVGJ-OLZOCXBDSA-N 2 2 334.420 1.265 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000250289712 139201019 /nfs/dbraw/zinc/20/10/19/139201019.db2.gz PRBDQPWIYLKVGJ-OLZOCXBDSA-N 2 2 334.420 1.265 20 0 EDADLP Brc1ccsc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261572869 139208968 /nfs/dbraw/zinc/20/89/68/139208968.db2.gz LXXCQIXGKIFNRI-LLVKDONJSA-N 2 2 330.295 1.990 20 0 EDADLP CC[C@H](C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)[NH+](CC)CC ZINC000261769977 139224460 /nfs/dbraw/zinc/22/44/60/139224460.db2.gz PEAOVAKISXRPMI-OAHLLOKOSA-N 2 2 348.495 1.208 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(Cl)cc1 ZINC000261770217 139224480 /nfs/dbraw/zinc/22/44/80/139224480.db2.gz MHFVTKWPXBGXFO-ILXRZTDVSA-N 2 2 348.834 1.785 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000261827038 139229456 /nfs/dbraw/zinc/22/94/56/139229456.db2.gz IYHSXIJCTQEMDC-OAHLLOKOSA-N 2 2 349.450 1.868 20 0 EDADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC(F)F ZINC000261926724 139237776 /nfs/dbraw/zinc/23/77/76/139237776.db2.gz SHMSPKHVBOCGLA-UHFFFAOYSA-N 2 2 343.374 1.160 20 0 EDADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC(F)F ZINC000261926724 139237777 /nfs/dbraw/zinc/23/77/77/139237777.db2.gz SHMSPKHVBOCGLA-UHFFFAOYSA-N 2 2 343.374 1.160 20 0 EDADLP O=C(CC[C@@H]1CC[NH2+]C1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000261912729 139236289 /nfs/dbraw/zinc/23/62/89/139236289.db2.gz WPTNKYZWGRDYPR-MRXNPFEDSA-N 2 2 326.444 1.980 20 0 EDADLP COc1ccc(CCC(=O)N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000261915492 139236609 /nfs/dbraw/zinc/23/66/09/139236609.db2.gz JUGKDSPRZRWBGB-GOSISDBHSA-N 2 2 345.487 1.772 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)O1 ZINC000262003346 139243252 /nfs/dbraw/zinc/24/32/52/139243252.db2.gz NQNFHXBNZJLCIY-CVEARBPZSA-N 2 2 337.851 1.491 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000174691727 207046021 /nfs/dbraw/zinc/04/60/21/207046021.db2.gz LLPLIWUJALWCJK-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000174691727 207046024 /nfs/dbraw/zinc/04/60/24/207046024.db2.gz LLPLIWUJALWCJK-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000174691727 207046027 /nfs/dbraw/zinc/04/60/27/207046027.db2.gz LLPLIWUJALWCJK-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000174691727 207046029 /nfs/dbraw/zinc/04/60/29/207046029.db2.gz LLPLIWUJALWCJK-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262218732 139261015 /nfs/dbraw/zinc/26/10/15/139261015.db2.gz JICIQHIFWWFFMJ-UHFFFAOYSA-N 2 2 347.459 1.095 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCCCC[NH3+])cc1 ZINC000416877218 251115914 /nfs/dbraw/zinc/11/59/14/251115914.db2.gz BAQDCLVVVBCCKE-QGZVFWFLSA-N 2 2 334.464 1.406 20 0 EDADLP [NH3+]CCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000417006289 251128378 /nfs/dbraw/zinc/12/83/78/251128378.db2.gz ZBKVNUPLDQAMAB-UHFFFAOYSA-N 2 2 325.416 1.402 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCCO1 ZINC000417270202 251151656 /nfs/dbraw/zinc/15/16/56/251151656.db2.gz QLLXPGCBGSYWQK-HNNXBMFYSA-N 2 2 329.404 1.132 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000417389604 251161158 /nfs/dbraw/zinc/16/11/58/251161158.db2.gz PSSCJTRBDQXMRJ-INIZCTEOSA-N 3 2 339.528 1.362 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1c(F)cccc1F ZINC000417662450 251216884 /nfs/dbraw/zinc/21/68/84/251216884.db2.gz RVZVZNUQHGTLCN-RHSMWYFYSA-N 2 2 340.418 1.948 20 0 EDADLP COCC1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC000262436657 139278986 /nfs/dbraw/zinc/27/89/86/139278986.db2.gz XKMUBMMIWSXWBP-UHFFFAOYSA-N 2 2 342.443 1.564 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000417764285 251261430 /nfs/dbraw/zinc/26/14/30/251261430.db2.gz LTDDWGVSDWUBDK-MRXNPFEDSA-N 3 2 339.528 1.363 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)N3CC[NH2+]C[C@@](C)(F)C3)CC2)[nH+]c1 ZINC000417738047 251251222 /nfs/dbraw/zinc/25/12/22/251251222.db2.gz WUYKQBROIGPAKD-GOSISDBHSA-N 2 2 349.454 1.702 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417828821 251288734 /nfs/dbraw/zinc/28/87/34/251288734.db2.gz PJGROCKEYJEFHK-KGLIPLIRSA-N 2 2 340.493 1.419 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417828821 251288735 /nfs/dbraw/zinc/28/87/35/251288735.db2.gz PJGROCKEYJEFHK-KGLIPLIRSA-N 2 2 340.493 1.419 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000417831367 251288873 /nfs/dbraw/zinc/28/88/73/251288873.db2.gz QOTJKGFVWDDMID-KGLIPLIRSA-N 2 2 340.493 1.466 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000417811196 251278225 /nfs/dbraw/zinc/27/82/25/251278225.db2.gz DDAODHTXCUNEHT-HOTGVXAUSA-N 3 2 347.507 1.762 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000418426052 251366692 /nfs/dbraw/zinc/36/66/92/251366692.db2.gz JDXWHPMVWQEHSE-HOTGVXAUSA-N 2 2 334.464 1.437 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)NCC(C)(C)[NH3+] ZINC000418426052 251366696 /nfs/dbraw/zinc/36/66/96/251366696.db2.gz JDXWHPMVWQEHSE-HOTGVXAUSA-N 2 2 334.464 1.437 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418425766 251367619 /nfs/dbraw/zinc/36/76/19/251367619.db2.gz KNDFDZCZGOCKJK-HUUCEWRRSA-N 2 2 349.479 1.684 20 0 EDADLP O=C(NC1[C@H]2C[NH2+]C[C@@H]12)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418710214 251391477 /nfs/dbraw/zinc/39/14/77/251391477.db2.gz VADQOTXJVDBYGU-MCUFUQNVSA-N 2 2 326.444 1.245 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418719835 251397200 /nfs/dbraw/zinc/39/72/00/251397200.db2.gz LEDVQIMZTJIXIR-JKSUJKDBSA-N 3 2 339.528 1.171 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418719835 251397204 /nfs/dbraw/zinc/39/72/04/251397204.db2.gz LEDVQIMZTJIXIR-JKSUJKDBSA-N 3 2 339.528 1.171 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000418722554 251398882 /nfs/dbraw/zinc/39/88/82/251398882.db2.gz LMHIXUYPSDQGHF-IHRRRGAJSA-N 2 2 340.493 1.499 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418582923 251379279 /nfs/dbraw/zinc/37/92/79/251379279.db2.gz AOPNJMGODFAORK-YJBOKZPZSA-N 2 2 345.491 1.987 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000262642307 139292492 /nfs/dbraw/zinc/29/24/92/139292492.db2.gz JDQMSVFWIYBCBS-WMZOPIPTSA-N 2 2 331.460 1.566 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422878745 252008848 /nfs/dbraw/zinc/00/88/48/252008848.db2.gz KNFXCEIPXLBSNZ-LPHOPBHVSA-N 2 2 344.503 1.975 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422891033 252013295 /nfs/dbraw/zinc/01/32/95/252013295.db2.gz UKUYLHXJTIVMFU-SQNIBIBYSA-N 3 2 330.476 1.409 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422891033 252013298 /nfs/dbraw/zinc/01/32/98/252013298.db2.gz UKUYLHXJTIVMFU-SQNIBIBYSA-N 3 2 330.476 1.409 20 0 EDADLP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422891033 252013300 /nfs/dbraw/zinc/01/33/00/252013300.db2.gz UKUYLHXJTIVMFU-SQNIBIBYSA-N 2 2 330.476 1.409 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)cc1 ZINC000422891560 252014245 /nfs/dbraw/zinc/01/42/45/252014245.db2.gz VWDNQFRCHYYAIH-KDOFPFPSSA-N 2 2 331.460 1.966 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)cc1 ZINC000422891560 252014248 /nfs/dbraw/zinc/01/42/48/252014248.db2.gz VWDNQFRCHYYAIH-KDOFPFPSSA-N 2 2 331.460 1.966 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422860861 252003150 /nfs/dbraw/zinc/00/31/50/252003150.db2.gz LYHQCSSDQRRYPF-QUCCMNQESA-N 3 2 332.536 1.952 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422860861 252003153 /nfs/dbraw/zinc/00/31/53/252003153.db2.gz LYHQCSSDQRRYPF-QUCCMNQESA-N 3 2 332.536 1.952 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423515387 252058530 /nfs/dbraw/zinc/05/85/30/252058530.db2.gz NDFHCNZSAHWGHC-MHTWAQMVSA-N 3 2 342.531 1.923 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423515387 252058532 /nfs/dbraw/zinc/05/85/32/252058532.db2.gz NDFHCNZSAHWGHC-MHTWAQMVSA-N 3 2 342.531 1.923 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@H]1CCC[NH2+]1 ZINC000422908332 252018553 /nfs/dbraw/zinc/01/85/53/252018553.db2.gz YGWNMMGHZGJSHU-JGGQBBKZSA-N 2 2 333.432 1.041 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)CCN1C ZINC000423867419 252097101 /nfs/dbraw/zinc/09/71/01/252097101.db2.gz MNKJACBNCCQOGL-JKSUJKDBSA-N 2 2 327.432 1.325 20 0 EDADLP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000424136651 252138928 /nfs/dbraw/zinc/13/89/28/252138928.db2.gz AYCRDKMMWZQRHI-VNHYZAJKSA-N 2 2 325.815 1.907 20 0 EDADLP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000424136651 252138929 /nfs/dbraw/zinc/13/89/29/252138929.db2.gz AYCRDKMMWZQRHI-VNHYZAJKSA-N 2 2 325.815 1.907 20 0 EDADLP Cn1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424144869 252143886 /nfs/dbraw/zinc/14/38/86/252143886.db2.gz MIQTYXAXIUSSKE-AWEZNQCLSA-N 2 2 342.447 1.630 20 0 EDADLP Cn1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424144869 252143890 /nfs/dbraw/zinc/14/38/90/252143890.db2.gz MIQTYXAXIUSSKE-AWEZNQCLSA-N 2 2 342.447 1.630 20 0 EDADLP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000424149267 252145188 /nfs/dbraw/zinc/14/51/88/252145188.db2.gz WDPBWBQFLNSLKK-CYBMUJFWSA-N 2 2 328.420 1.620 20 0 EDADLP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000424149267 252145190 /nfs/dbraw/zinc/14/51/90/252145190.db2.gz WDPBWBQFLNSLKK-CYBMUJFWSA-N 2 2 328.420 1.620 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH2+]Cc1c[nH+]cn1C(C)C ZINC000424185724 252156027 /nfs/dbraw/zinc/15/60/27/252156027.db2.gz FYNMXHSBBYXOMZ-UHFFFAOYSA-N 2 2 330.432 1.921 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000424277699 252187591 /nfs/dbraw/zinc/18/75/91/252187591.db2.gz ARIBOWJLYMKTOR-CHWSQXEVSA-N 2 2 332.473 1.815 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000424339815 252197932 /nfs/dbraw/zinc/19/79/32/252197932.db2.gz WPUWNSQSIKFLNN-GHMZBOCLSA-N 2 2 327.226 1.642 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000424439581 252232065 /nfs/dbraw/zinc/23/20/65/252232065.db2.gz NYVHEZRXEHBENW-UHFFFAOYSA-N 2 2 341.415 1.170 20 0 EDADLP COC(C)(C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000173966499 532954438 /nfs/dbraw/zinc/95/44/38/532954438.db2.gz NJBHSOFECLNOPI-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495681056 285028266 /nfs/dbraw/zinc/02/82/66/285028266.db2.gz YKOWTWJZXDKLHL-GOEBONIOSA-N 2 2 341.496 1.942 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495681056 285028267 /nfs/dbraw/zinc/02/82/67/285028267.db2.gz YKOWTWJZXDKLHL-GOEBONIOSA-N 2 2 341.496 1.942 20 0 EDADLP COc1cc2[nH+]c(N3CCC[N@@H+](C4CC4)CC3)nc(N)c2cc1OC ZINC000171831576 533176973 /nfs/dbraw/zinc/17/69/73/533176973.db2.gz QZFGDHNZDGBRRS-UHFFFAOYSA-N 2 2 343.431 1.904 20 0 EDADLP COc1cc2[nH+]c(N3CCC[N@H+](C4CC4)CC3)nc(N)c2cc1OC ZINC000171831576 533176976 /nfs/dbraw/zinc/17/69/76/533176976.db2.gz QZFGDHNZDGBRRS-UHFFFAOYSA-N 2 2 343.431 1.904 20 0 EDADLP C[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)NC(=O)OC(C)(C)C ZINC000492259638 255165946 /nfs/dbraw/zinc/16/59/46/255165946.db2.gz QAZUITANVHAIGQ-AWEZNQCLSA-N 2 2 329.485 1.678 20 0 EDADLP C[C@@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)NC(=O)OC(C)(C)C ZINC000492259638 255165947 /nfs/dbraw/zinc/16/59/47/255165947.db2.gz QAZUITANVHAIGQ-AWEZNQCLSA-N 2 2 329.485 1.678 20 0 EDADLP C[NH+]1CCN(C[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000493361003 255206643 /nfs/dbraw/zinc/20/66/43/255206643.db2.gz XVQZJYICRMUHHP-IWAYRVGRSA-N 2 2 339.443 1.528 20 0 EDADLP COCC[NH+](CCOC)C1CCN(C(=O)/C=C\c2[nH]cc[nH+]2)CC1 ZINC000493485401 255211449 /nfs/dbraw/zinc/21/14/49/255211449.db2.gz LYKPCKMHQYWOKU-ARJAWSKDSA-N 2 2 336.436 1.009 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904789 255187125 /nfs/dbraw/zinc/18/71/25/255187125.db2.gz XURVACQFASOMBP-LKCQJKFCSA-N 2 2 342.447 1.698 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492904789 255187126 /nfs/dbraw/zinc/18/71/26/255187126.db2.gz XURVACQFASOMBP-LKCQJKFCSA-N 2 2 342.447 1.698 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000493149375 255193530 /nfs/dbraw/zinc/19/35/30/255193530.db2.gz KCMQGQUEJZZETB-NSCUHMNNSA-N 3 2 340.431 1.146 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000493155911 255193898 /nfs/dbraw/zinc/19/38/98/255193898.db2.gz NJOGVYAZCOBWAJ-FYCOFBDGSA-N 2 2 326.400 1.301 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000495052830 255267296 /nfs/dbraw/zinc/26/72/96/255267296.db2.gz YJSGQWADQJOLGZ-MRXNPFEDSA-N 2 2 327.388 1.602 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000495052830 255267297 /nfs/dbraw/zinc/26/72/97/255267297.db2.gz YJSGQWADQJOLGZ-MRXNPFEDSA-N 2 2 327.388 1.602 20 0 EDADLP CC(C)[C@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000117347188 221055192 /nfs/dbraw/zinc/05/51/92/221055192.db2.gz BMQWMJQWTWFVIW-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)[C@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000117347188 221055194 /nfs/dbraw/zinc/05/51/94/221055194.db2.gz BMQWMJQWTWFVIW-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N(C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000264285892 139393666 /nfs/dbraw/zinc/39/36/66/139393666.db2.gz ZPDIFHPZOKWWAS-SFHVURJKSA-N 2 2 333.476 1.860 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@H]1C ZINC000351521726 285396068 /nfs/dbraw/zinc/39/60/68/285396068.db2.gz VRLFIRVDEVYBQV-YCPHGPKFSA-N 2 2 327.469 1.105 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@H]1C ZINC000351521726 285396069 /nfs/dbraw/zinc/39/60/69/285396069.db2.gz VRLFIRVDEVYBQV-YCPHGPKFSA-N 2 2 327.469 1.105 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@H]1C ZINC000351521726 285396070 /nfs/dbraw/zinc/39/60/70/285396070.db2.gz VRLFIRVDEVYBQV-YCPHGPKFSA-N 2 2 327.469 1.105 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@H]1C ZINC000351521726 285396071 /nfs/dbraw/zinc/39/60/71/285396071.db2.gz VRLFIRVDEVYBQV-YCPHGPKFSA-N 2 2 327.469 1.105 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC[C@@H]1O ZINC000270124472 140048440 /nfs/dbraw/zinc/04/84/40/140048440.db2.gz NXLFUXNYWCCDNC-MOPGFXCFSA-N 2 2 345.487 1.424 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC[C@@H]1O ZINC000270124472 140048442 /nfs/dbraw/zinc/04/84/42/140048442.db2.gz NXLFUXNYWCCDNC-MOPGFXCFSA-N 2 2 345.487 1.424 20 0 EDADLP Cc1[nH+]ccn1CCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000270671527 140144876 /nfs/dbraw/zinc/14/48/76/140144876.db2.gz ROIMXMVBUFFLOB-SFHVURJKSA-N 2 2 344.459 1.249 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000270671527 140144877 /nfs/dbraw/zinc/14/48/77/140144877.db2.gz ROIMXMVBUFFLOB-SFHVURJKSA-N 2 2 344.459 1.249 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000571864449 306575982 /nfs/dbraw/zinc/57/59/82/306575982.db2.gz UAYUHHCKQVQQNQ-WMZOPIPTSA-N 2 2 346.475 1.372 20 0 EDADLP C[NH+]1CCC(C)(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000272502702 140468580 /nfs/dbraw/zinc/46/85/80/140468580.db2.gz HIERCJYTSRASLX-UHFFFAOYSA-N 2 2 345.491 1.052 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000331300156 141005372 /nfs/dbraw/zinc/00/53/72/141005372.db2.gz DSGUMZQPHDRCDI-KGLIPLIRSA-N 2 2 334.464 1.904 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000331300156 141005373 /nfs/dbraw/zinc/00/53/73/141005373.db2.gz DSGUMZQPHDRCDI-KGLIPLIRSA-N 2 2 334.464 1.904 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)CCC2 ZINC000331480569 141036600 /nfs/dbraw/zinc/03/66/00/141036600.db2.gz PRKCUBSBCLAQFR-ACJLOTCBSA-N 2 2 336.432 1.798 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000331480569 141036601 /nfs/dbraw/zinc/03/66/01/141036601.db2.gz PRKCUBSBCLAQFR-ACJLOTCBSA-N 2 2 336.432 1.798 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000331619840 141057949 /nfs/dbraw/zinc/05/79/49/141057949.db2.gz LLPYGMQVOQXNPH-UHFFFAOYSA-N 2 2 345.447 1.470 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1CCOC ZINC000332335771 141164381 /nfs/dbraw/zinc/16/43/81/141164381.db2.gz QZJWFPPOSUJYJT-INIZCTEOSA-N 2 2 349.479 1.472 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@H+]1CCOC ZINC000332335771 141164383 /nfs/dbraw/zinc/16/43/83/141164383.db2.gz QZJWFPPOSUJYJT-INIZCTEOSA-N 2 2 349.479 1.472 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC3CC[NH2+]CC3)CC2)nc(C(C)C)[nH+]1 ZINC000332555291 141202492 /nfs/dbraw/zinc/20/24/92/141202492.db2.gz RRVMWTBYTSGRAI-UHFFFAOYSA-N 2 2 346.479 1.492 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCOC2CCCCC2)CC1 ZINC000340255925 142321746 /nfs/dbraw/zinc/32/17/46/142321746.db2.gz SDIVSLJVNNMPAX-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP COC(=O)c1cccnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000340283183 142329369 /nfs/dbraw/zinc/32/93/69/142329369.db2.gz GDZVEZLRPWIXTE-UHFFFAOYSA-N 2 2 333.432 1.412 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@H]1C ZINC000340324808 142341962 /nfs/dbraw/zinc/34/19/62/142341962.db2.gz KMUDXGIEKBNRNS-ZIAGYGMSSA-N 2 2 343.431 1.522 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@H]1C ZINC000340324808 142341964 /nfs/dbraw/zinc/34/19/64/142341964.db2.gz KMUDXGIEKBNRNS-ZIAGYGMSSA-N 2 2 343.431 1.522 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cn2cc[nH+]c12 ZINC000340370485 142362899 /nfs/dbraw/zinc/36/28/99/142362899.db2.gz REJVOZFGOJZQKE-HNNXBMFYSA-N 2 2 343.431 1.380 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cn2cc[nH+]c12 ZINC000340370485 142362901 /nfs/dbraw/zinc/36/29/01/142362901.db2.gz REJVOZFGOJZQKE-HNNXBMFYSA-N 2 2 343.431 1.380 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC[C@H](F)C3)CC2)CC1 ZINC000344702611 143000511 /nfs/dbraw/zinc/00/05/11/143000511.db2.gz SYYAHHUQXMDNJT-DZGCQCFKSA-N 2 2 326.460 1.735 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCOC[C@H]1CCCO1 ZINC000344745499 143006347 /nfs/dbraw/zinc/00/63/47/143006347.db2.gz HHZRQVHEUUQCCT-QGZVFWFLSA-N 2 2 341.496 1.057 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCOC[C@H]1CCCO1 ZINC000344745499 143006348 /nfs/dbraw/zinc/00/63/48/143006348.db2.gz HHZRQVHEUUQCCT-QGZVFWFLSA-N 2 2 341.496 1.057 20 0 EDADLP Cc1cccc(OCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000344762439 143008693 /nfs/dbraw/zinc/00/86/93/143008693.db2.gz FSOWOCLZVYSOPZ-UHFFFAOYSA-N 2 2 333.476 1.858 20 0 EDADLP Cc1cccc(OCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000344762439 143008694 /nfs/dbraw/zinc/00/86/94/143008694.db2.gz FSOWOCLZVYSOPZ-UHFFFAOYSA-N 2 2 333.476 1.858 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H](C)C[NH+](C)C)CC2 ZINC000346170434 143174582 /nfs/dbraw/zinc/17/45/82/143174582.db2.gz VWUOIUUIILJZKB-ZDUSSCGKSA-N 2 2 335.448 1.128 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H](C)C[NH+](C)C)CC2 ZINC000346170434 143174583 /nfs/dbraw/zinc/17/45/83/143174583.db2.gz VWUOIUUIILJZKB-ZDUSSCGKSA-N 2 2 335.448 1.128 20 0 EDADLP CC(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000346379688 143198852 /nfs/dbraw/zinc/19/88/52/143198852.db2.gz IQADFPMTOUOPBB-YZYRWKSTSA-N 2 2 349.519 1.817 20 0 EDADLP CC(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000346379688 143198853 /nfs/dbraw/zinc/19/88/53/143198853.db2.gz IQADFPMTOUOPBB-YZYRWKSTSA-N 2 2 349.519 1.817 20 0 EDADLP C[C@H](NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000346532696 143214140 /nfs/dbraw/zinc/21/41/40/143214140.db2.gz HTXHYMARHLMZJJ-ZOBUZTSGSA-N 2 2 328.460 1.921 20 0 EDADLP C[C@H](NC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000346532696 143214141 /nfs/dbraw/zinc/21/41/41/143214141.db2.gz HTXHYMARHLMZJJ-ZOBUZTSGSA-N 2 2 328.460 1.921 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000347000195 143269812 /nfs/dbraw/zinc/26/98/12/143269812.db2.gz UCMIQEDKOBDDJS-HOTGVXAUSA-N 2 2 337.468 1.414 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000347000195 143269813 /nfs/dbraw/zinc/26/98/13/143269813.db2.gz UCMIQEDKOBDDJS-HOTGVXAUSA-N 2 2 337.468 1.414 20 0 EDADLP Cn1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(C2CCCCC2)n1 ZINC000347173418 143290868 /nfs/dbraw/zinc/29/08/68/143290868.db2.gz OQBNKQJZGTXQAX-UHFFFAOYSA-N 2 2 333.480 1.331 20 0 EDADLP Cn1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(C2CCCCC2)n1 ZINC000347173418 143290869 /nfs/dbraw/zinc/29/08/69/143290869.db2.gz OQBNKQJZGTXQAX-UHFFFAOYSA-N 2 2 333.480 1.331 20 0 EDADLP C[C@@]1(F)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000347387580 143315567 /nfs/dbraw/zinc/31/55/67/143315567.db2.gz QQIJOEGVXIMLIM-LJQANCHMSA-N 2 2 349.450 1.569 20 0 EDADLP C[C@@]1(F)CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000347387580 143315568 /nfs/dbraw/zinc/31/55/68/143315568.db2.gz QQIJOEGVXIMLIM-LJQANCHMSA-N 2 2 349.450 1.569 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416822500 304350212 /nfs/dbraw/zinc/35/02/12/304350212.db2.gz NASVNGDEPMOOMS-QWHCGFSZSA-N 2 2 326.466 1.158 20 0 EDADLP Fc1ccc(Cn2cc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000352694034 149119742 /nfs/dbraw/zinc/11/97/42/149119742.db2.gz OEOZPSCQJZQKKQ-LJQANCHMSA-N 2 2 343.450 1.550 20 0 EDADLP Fc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000352723972 149130407 /nfs/dbraw/zinc/13/04/07/149130407.db2.gz WSVFDRKUDPHLPF-CYBMUJFWSA-N 2 2 329.366 1.907 20 0 EDADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(=O)NCc1ccccc1 ZINC000352765672 149156444 /nfs/dbraw/zinc/15/64/44/149156444.db2.gz QMDMKWHIQZEQFF-CYBMUJFWSA-N 2 2 332.473 1.999 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352822636 149181167 /nfs/dbraw/zinc/18/11/67/149181167.db2.gz YVDXPKHIIJOYPN-IAGOWNOFSA-N 2 2 340.512 1.613 20 0 EDADLP Cc1[nH+]ccc(NCCCCN2CC[NH+](CCO)CC2)c1Cl ZINC000352849775 149189843 /nfs/dbraw/zinc/18/98/43/149189843.db2.gz PUNQMSCODIEQTK-UHFFFAOYSA-N 2 2 326.872 1.267 20 0 EDADLP O=C1NCCC[C@@H]1[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352886148 149203869 /nfs/dbraw/zinc/20/38/69/149203869.db2.gz FWCJPHHEFHWRFN-OALUTQOASA-N 2 2 342.487 1.157 20 0 EDADLP O=C1NCCC[C@@H]1[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352886148 149203872 /nfs/dbraw/zinc/20/38/72/149203872.db2.gz FWCJPHHEFHWRFN-OALUTQOASA-N 2 2 342.487 1.157 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000353260961 149343226 /nfs/dbraw/zinc/34/32/26/149343226.db2.gz PJAHQAPIBFXAHG-HNNXBMFYSA-N 2 2 343.475 1.759 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000353260961 149343230 /nfs/dbraw/zinc/34/32/30/149343230.db2.gz PJAHQAPIBFXAHG-HNNXBMFYSA-N 2 2 343.475 1.759 20 0 EDADLP C[N@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CC[NH+](CCO)CC1 ZINC000353353488 149376011 /nfs/dbraw/zinc/37/60/11/149376011.db2.gz PCCDUDMHDVIIRX-HNNXBMFYSA-N 2 2 325.478 1.883 20 0 EDADLP C[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CC[NH+](CCO)CC1 ZINC000353353488 149376014 /nfs/dbraw/zinc/37/60/14/149376014.db2.gz PCCDUDMHDVIIRX-HNNXBMFYSA-N 2 2 325.478 1.883 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N(C)C3CC([NH3+])C3)c[nH+]2)CC1 ZINC000416972806 304358223 /nfs/dbraw/zinc/35/82/23/304358223.db2.gz HHLGPRWPMILJIO-UHFFFAOYSA-N 2 2 331.464 1.949 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000416974690 304358834 /nfs/dbraw/zinc/35/88/34/304358834.db2.gz MELYHWWHRVDCGZ-ZBFHGGJFSA-N 2 2 347.463 1.187 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416980778 304360854 /nfs/dbraw/zinc/36/08/54/304360854.db2.gz GCOLHUFRMIVJQJ-ILXRZTDVSA-N 2 2 349.479 1.622 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N(C)C3CC([NH3+])C3)c[nH+]2)C[C@@H](C)O1 ZINC000416980787 304360871 /nfs/dbraw/zinc/36/08/71/304360871.db2.gz GDRHCSBCICPOEW-KCNJBTMXSA-N 2 2 347.463 1.326 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)[C@H]1CCCO1 ZINC000355113412 150123081 /nfs/dbraw/zinc/12/30/81/150123081.db2.gz SNWCSIAMGWAIJJ-YQQAZPJKSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)[C@H]1CCCO1 ZINC000355113412 150123083 /nfs/dbraw/zinc/12/30/83/150123083.db2.gz SNWCSIAMGWAIJJ-YQQAZPJKSA-N 2 2 338.496 1.364 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000573674778 306629053 /nfs/dbraw/zinc/62/90/53/306629053.db2.gz WIROMBBCUAPATE-UHFFFAOYSA-N 2 2 348.495 1.120 20 0 EDADLP C[NH2+]C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417040867 304365094 /nfs/dbraw/zinc/36/50/94/304365094.db2.gz PCWIFSBUBZTNCP-AEFFLSMTSA-N 2 2 346.475 1.311 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000357369523 151009709 /nfs/dbraw/zinc/00/97/09/151009709.db2.gz SOFUEFFCYMVZBE-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000357369523 151009711 /nfs/dbraw/zinc/00/97/11/151009711.db2.gz SOFUEFFCYMVZBE-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000357369523 151009712 /nfs/dbraw/zinc/00/97/12/151009712.db2.gz SOFUEFFCYMVZBE-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000357369523 151009714 /nfs/dbraw/zinc/00/97/14/151009714.db2.gz SOFUEFFCYMVZBE-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@H](C)O1 ZINC000357433236 151031103 /nfs/dbraw/zinc/03/11/03/151031103.db2.gz DAPNUAYEEPMCDJ-SCTDSRPQSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@H](C)O1 ZINC000357433236 151031105 /nfs/dbraw/zinc/03/11/05/151031105.db2.gz DAPNUAYEEPMCDJ-SCTDSRPQSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000357433236 151031108 /nfs/dbraw/zinc/03/11/08/151031108.db2.gz DAPNUAYEEPMCDJ-SCTDSRPQSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000357433236 151031109 /nfs/dbraw/zinc/03/11/09/151031109.db2.gz DAPNUAYEEPMCDJ-SCTDSRPQSA-N 2 2 345.487 1.876 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000357618559 151087160 /nfs/dbraw/zinc/08/71/60/151087160.db2.gz YATJOPKXAAGOAI-QGZVFWFLSA-N 2 2 333.480 1.329 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000357618559 151087163 /nfs/dbraw/zinc/08/71/63/151087163.db2.gz YATJOPKXAAGOAI-QGZVFWFLSA-N 2 2 333.480 1.329 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000357618559 151087165 /nfs/dbraw/zinc/08/71/65/151087165.db2.gz YATJOPKXAAGOAI-QGZVFWFLSA-N 2 2 333.480 1.329 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000357618559 151087168 /nfs/dbraw/zinc/08/71/68/151087168.db2.gz YATJOPKXAAGOAI-QGZVFWFLSA-N 2 2 333.480 1.329 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)c(F)c1 ZINC000357644184 151097852 /nfs/dbraw/zinc/09/78/52/151097852.db2.gz CBZLPTAIILUNRC-AWEZNQCLSA-N 2 2 337.439 1.850 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)c(F)c1 ZINC000357644184 151097853 /nfs/dbraw/zinc/09/78/53/151097853.db2.gz CBZLPTAIILUNRC-AWEZNQCLSA-N 2 2 337.439 1.850 20 0 EDADLP C[C@H](NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1)c1cccs1 ZINC000357642880 151098006 /nfs/dbraw/zinc/09/80/06/151098006.db2.gz CUDYXNOTHLEBGU-ZDUSSCGKSA-N 2 2 325.478 1.314 20 0 EDADLP C[C@H](NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1)c1cccs1 ZINC000357642880 151098008 /nfs/dbraw/zinc/09/80/08/151098008.db2.gz CUDYXNOTHLEBGU-ZDUSSCGKSA-N 2 2 325.478 1.314 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)C2CC[NH+](CC(F)F)CC2)CC1(C)C ZINC000357684859 151115379 /nfs/dbraw/zinc/11/53/79/151115379.db2.gz GJZSZQPJSZRYNM-UHFFFAOYSA-N 2 2 346.466 1.106 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)C2CC[NH+](CC(F)F)CC2)CC1(C)C ZINC000357684859 151115381 /nfs/dbraw/zinc/11/53/81/151115381.db2.gz GJZSZQPJSZRYNM-UHFFFAOYSA-N 2 2 346.466 1.106 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)[C@H](C)C1 ZINC000357781442 151150254 /nfs/dbraw/zinc/15/02/54/151150254.db2.gz BLVYZPGLAFJGDD-ZBFHGGJFSA-N 2 2 337.468 1.356 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)[C@H](C)C1 ZINC000357781442 151150256 /nfs/dbraw/zinc/15/02/56/151150256.db2.gz BLVYZPGLAFJGDD-ZBFHGGJFSA-N 2 2 337.468 1.356 20 0 EDADLP C[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000358032286 151240359 /nfs/dbraw/zinc/24/03/59/151240359.db2.gz CPIVJYZOWNYIJA-OWCLPIDISA-N 2 2 333.480 1.326 20 0 EDADLP C[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000358032286 151240360 /nfs/dbraw/zinc/24/03/60/151240360.db2.gz CPIVJYZOWNYIJA-OWCLPIDISA-N 2 2 333.480 1.326 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000358034054 151241354 /nfs/dbraw/zinc/24/13/54/151241354.db2.gz YHQBOFXVMKQXHD-FUHWJXTLSA-N 2 2 333.476 1.906 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)C1 ZINC000358351172 151347162 /nfs/dbraw/zinc/34/71/62/151347162.db2.gz LBYMRBTYQPIRIS-WCQYABFASA-N 2 2 331.507 1.265 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)C1 ZINC000358351172 151347164 /nfs/dbraw/zinc/34/71/64/151347164.db2.gz LBYMRBTYQPIRIS-WCQYABFASA-N 2 2 331.507 1.265 20 0 EDADLP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000359226265 151643789 /nfs/dbraw/zinc/64/37/89/151643789.db2.gz MUGGQICAOPWYCD-UHFFFAOYSA-N 2 2 343.431 1.572 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)cc1 ZINC000370111422 155328943 /nfs/dbraw/zinc/32/89/43/155328943.db2.gz KIRWMLBMZHACQB-GOSISDBHSA-N 2 2 346.475 1.054 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)cc1 ZINC000370111422 155328944 /nfs/dbraw/zinc/32/89/44/155328944.db2.gz KIRWMLBMZHACQB-GOSISDBHSA-N 2 2 346.475 1.054 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000360548636 152090274 /nfs/dbraw/zinc/09/02/74/152090274.db2.gz UXLDENKFJNBEQS-SFHVURJKSA-N 2 2 333.501 1.970 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000360548636 152090276 /nfs/dbraw/zinc/09/02/76/152090276.db2.gz UXLDENKFJNBEQS-SFHVURJKSA-N 2 2 333.501 1.970 20 0 EDADLP CC[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000360836070 152224421 /nfs/dbraw/zinc/22/44/21/152224421.db2.gz UVJMWZMXKFTCHU-HZPDHXFCSA-N 2 2 337.414 1.937 20 0 EDADLP CC[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000360836070 152224422 /nfs/dbraw/zinc/22/44/22/152224422.db2.gz UVJMWZMXKFTCHU-HZPDHXFCSA-N 2 2 337.414 1.937 20 0 EDADLP C[C@@]1(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)NC(=O)NC1=O ZINC000361032997 152284818 /nfs/dbraw/zinc/28/48/18/152284818.db2.gz RNWOVGCXWKQVAH-KRWDZBQOSA-N 2 2 327.388 1.144 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)CC[N@@H+]1C ZINC000361115875 152309110 /nfs/dbraw/zinc/30/91/10/152309110.db2.gz YSKWOJMKXFQLHW-PBHICJAKSA-N 2 2 345.491 1.356 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)CC[N@H+]1C ZINC000361115875 152309112 /nfs/dbraw/zinc/30/91/12/152309112.db2.gz YSKWOJMKXFQLHW-PBHICJAKSA-N 2 2 345.491 1.356 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000361168856 152325153 /nfs/dbraw/zinc/32/51/53/152325153.db2.gz ORMWCLPPCIRNCI-SFHVURJKSA-N 2 2 330.476 1.015 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000361168856 152325155 /nfs/dbraw/zinc/32/51/55/152325155.db2.gz ORMWCLPPCIRNCI-SFHVURJKSA-N 2 2 330.476 1.015 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH3+])[NH+]2CCOCC2)cc1 ZINC000417189737 304382389 /nfs/dbraw/zinc/38/23/89/304382389.db2.gz YZAZZOSZEOPENU-WBVHZDCISA-N 2 2 334.464 1.262 20 0 EDADLP C[N@H+](CC(=O)NC(C)(C)C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364030353 153127327 /nfs/dbraw/zinc/12/73/27/153127327.db2.gz CUWSQPJBDJTOLZ-UHFFFAOYSA-N 2 2 332.492 1.935 20 0 EDADLP C[N@@H+](CC(=O)NC(C)(C)C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364030353 153127328 /nfs/dbraw/zinc/12/73/28/153127328.db2.gz CUWSQPJBDJTOLZ-UHFFFAOYSA-N 2 2 332.492 1.935 20 0 EDADLP Cc1cccc(OCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364208116 153174046 /nfs/dbraw/zinc/17/40/46/153174046.db2.gz QXDYLFUXGDFPJT-INIZCTEOSA-N 2 2 331.460 1.659 20 0 EDADLP Cc1cccc(OCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364208116 153174047 /nfs/dbraw/zinc/17/40/47/153174047.db2.gz QXDYLFUXGDFPJT-INIZCTEOSA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COCCc3ccccc3)C2)CC1 ZINC000364207341 153174487 /nfs/dbraw/zinc/17/44/87/153174487.db2.gz OALMXJQWCCFFRU-GOSISDBHSA-N 2 2 345.487 1.530 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COCCc3ccccc3)C2)CC1 ZINC000364207341 153174489 /nfs/dbraw/zinc/17/44/89/153174489.db2.gz OALMXJQWCCFFRU-GOSISDBHSA-N 2 2 345.487 1.530 20 0 EDADLP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000364969340 153386091 /nfs/dbraw/zinc/38/60/91/153386091.db2.gz AILOLRZLGHTKCB-OAHLLOKOSA-N 2 2 334.464 1.986 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(n3ccc(C)n3)CC2)CC1 ZINC000365002788 153395026 /nfs/dbraw/zinc/39/50/26/153395026.db2.gz VMKGNPPQOQWPAR-MRXNPFEDSA-N 2 2 333.480 1.381 20 0 EDADLP NC(=O)N1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000367134606 154018436 /nfs/dbraw/zinc/01/84/36/154018436.db2.gz ZXQMOPXHXCXYSY-UHFFFAOYSA-N 2 2 345.491 1.285 20 0 EDADLP NC(=O)N1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000367134606 154018439 /nfs/dbraw/zinc/01/84/39/154018439.db2.gz ZXQMOPXHXCXYSY-UHFFFAOYSA-N 2 2 345.491 1.285 20 0 EDADLP NC(=O)[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000367147847 154023309 /nfs/dbraw/zinc/02/33/09/154023309.db2.gz HPMQYTOKNXSDPI-TZMCWYRMSA-N 2 2 349.232 1.777 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000367172343 154029028 /nfs/dbraw/zinc/02/90/28/154029028.db2.gz WQHYLDQWJXODAU-KRWDZBQOSA-N 2 2 330.476 1.585 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000367172343 154029030 /nfs/dbraw/zinc/02/90/30/154029030.db2.gz WQHYLDQWJXODAU-KRWDZBQOSA-N 2 2 330.476 1.585 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000367702691 154235925 /nfs/dbraw/zinc/23/59/25/154235925.db2.gz IEZRWTXDUPGIGZ-MRXNPFEDSA-N 2 2 337.489 1.869 20 0 EDADLP COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000367814056 154281210 /nfs/dbraw/zinc/28/12/10/154281210.db2.gz JJGHKCISFDFOII-QGZVFWFLSA-N 2 2 329.400 1.945 20 0 EDADLP COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000367814056 154281212 /nfs/dbraw/zinc/28/12/12/154281212.db2.gz JJGHKCISFDFOII-QGZVFWFLSA-N 2 2 329.400 1.945 20 0 EDADLP C[C@H](O)c1ncc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000368018865 154369802 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DZQVILGCDAWBQR-GVDBMIGSSA-N 2 2 343.475 1.773 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000371675443 156058030 /nfs/dbraw/zinc/05/80/30/156058030.db2.gz HLXQZAJGTBQYBO-HZPDHXFCSA-N 3 2 339.528 1.184 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000371675443 156058033 /nfs/dbraw/zinc/05/80/33/156058033.db2.gz HLXQZAJGTBQYBO-HZPDHXFCSA-N 3 2 339.528 1.184 20 0 EDADLP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371675443 156058035 /nfs/dbraw/zinc/05/80/35/156058035.db2.gz HLXQZAJGTBQYBO-HZPDHXFCSA-N 3 2 339.528 1.184 20 0 EDADLP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371675443 156058039 /nfs/dbraw/zinc/05/80/39/156058039.db2.gz HLXQZAJGTBQYBO-HZPDHXFCSA-N 3 2 339.528 1.184 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371905439 156160736 /nfs/dbraw/zinc/16/07/36/156160736.db2.gz AXTBIXWNLQHDMO-OAHLLOKOSA-N 2 2 335.452 1.410 20 0 EDADLP 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C[NH+]1CC=C(CNc2cc(NCC3=CC[N@@H+](C)CC3)[nH+]cn2)CC1 ZINC000274797327 268208877 /nfs/dbraw/zinc/20/88/77/268208877.db2.gz ZXHOSRKZXPPQOQ-UHFFFAOYSA-N 3 2 328.464 1.824 20 0 EDADLP COc1cccc2c(NC[C@@H](O)C[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000276123918 268399448 /nfs/dbraw/zinc/39/94/48/268399448.db2.gz YZKKGSGNCPXJML-CQSZACIVSA-N 2 2 331.416 1.657 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)[NH+](C)C ZINC000275618966 273114051 /nfs/dbraw/zinc/11/40/51/273114051.db2.gz MEKYEOBMVPNKTF-ZBFHGGJFSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000275928275 273136056 /nfs/dbraw/zinc/13/60/56/273136056.db2.gz VMIJROUTPBJVNN-AWEZNQCLSA-N 2 2 332.448 1.826 20 0 EDADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000276077995 273148097 /nfs/dbraw/zinc/14/80/97/273148097.db2.gz DFLVDHUGUSDHMD-GJZGRUSLSA-N 2 2 330.432 1.722 20 0 EDADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000276077995 273148098 /nfs/dbraw/zinc/14/80/98/273148098.db2.gz DFLVDHUGUSDHMD-GJZGRUSLSA-N 2 2 330.432 1.722 20 0 EDADLP COC1(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CCOCC1 ZINC000277002808 273175848 /nfs/dbraw/zinc/17/58/48/273175848.db2.gz KBFYEOKNCDOSBI-INIZCTEOSA-N 2 2 334.464 1.829 20 0 EDADLP C=Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000278899151 273268982 /nfs/dbraw/zinc/26/89/82/273268982.db2.gz QUNKSYVTWSITEY-MOPGFXCFSA-N 2 2 326.444 1.956 20 0 EDADLP C=Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000278899151 273268983 /nfs/dbraw/zinc/26/89/83/273268983.db2.gz QUNKSYVTWSITEY-MOPGFXCFSA-N 2 2 326.444 1.956 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000280195212 273350541 /nfs/dbraw/zinc/35/05/41/273350541.db2.gz IFXRLTAHQISKNA-UHFFFAOYSA-N 2 2 326.404 1.328 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000280195212 273350542 /nfs/dbraw/zinc/35/05/42/273350542.db2.gz IFXRLTAHQISKNA-UHFFFAOYSA-N 2 2 326.404 1.328 20 0 EDADLP O=C(N1CC[NH+](Cc2cccc(O)c2)CC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280892016 273411702 /nfs/dbraw/zinc/41/17/02/273411702.db2.gz QCNJTOCHGSCMDI-APWZRJJASA-N 2 2 329.444 1.426 20 0 EDADLP COc1ccc(-n2c3ccccc3nc2C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420349143 274105065 /nfs/dbraw/zinc/10/50/65/274105065.db2.gz BVSLFOAJTJDROO-HNNXBMFYSA-N 2 2 340.427 1.786 20 0 EDADLP COc1ccc(-n2c3ccccc3nc2C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420349143 274105068 /nfs/dbraw/zinc/10/50/68/274105068.db2.gz BVSLFOAJTJDROO-HNNXBMFYSA-N 2 2 340.427 1.786 20 0 EDADLP CO[C@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000284319528 274159427 /nfs/dbraw/zinc/15/94/27/274159427.db2.gz HVYYNGPSLUYFMY-ZWKOTPCHSA-N 2 2 331.460 1.613 20 0 EDADLP CO[C@H](C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000284319528 274159429 /nfs/dbraw/zinc/15/94/29/274159429.db2.gz HVYYNGPSLUYFMY-ZWKOTPCHSA-N 2 2 331.460 1.613 20 0 EDADLP CC(C)[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000284397009 274186997 /nfs/dbraw/zinc/18/69/97/274186997.db2.gz WDKCRFWSTAHNCD-MOPGFXCFSA-N 2 2 346.519 1.933 20 0 EDADLP CC(C)[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000284397009 274186999 /nfs/dbraw/zinc/18/69/99/274186999.db2.gz WDKCRFWSTAHNCD-MOPGFXCFSA-N 2 2 346.519 1.933 20 0 EDADLP COCC[NH+](CCOC)C1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000285477225 274556163 /nfs/dbraw/zinc/55/61/63/274556163.db2.gz LFKGMDFNDVKJBR-UHFFFAOYSA-N 2 2 346.475 1.894 20 0 EDADLP CC(C)[C@H](C(=O)NCCCCn1cc[nH+]c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248224229 287769150 /nfs/dbraw/zinc/76/91/50/287769150.db2.gz IQQYNNBWLKVSOM-BRWVUGGUSA-N 2 2 336.480 1.913 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000496236470 276074034 /nfs/dbraw/zinc/07/40/34/276074034.db2.gz WIWJIYKTFOOWDM-IRXDYDNUSA-N 2 2 341.496 1.776 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000496236470 276074035 /nfs/dbraw/zinc/07/40/35/276074035.db2.gz WIWJIYKTFOOWDM-IRXDYDNUSA-N 2 2 341.496 1.776 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000496236470 276074036 /nfs/dbraw/zinc/07/40/36/276074036.db2.gz WIWJIYKTFOOWDM-IRXDYDNUSA-N 2 2 341.496 1.776 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC000496236470 276074039 /nfs/dbraw/zinc/07/40/39/276074039.db2.gz WIWJIYKTFOOWDM-IRXDYDNUSA-N 2 2 341.496 1.776 20 0 EDADLP CCCN(CC(C)(C)O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370577636 276250372 /nfs/dbraw/zinc/25/03/72/276250372.db2.gz KBAMKRUNCXQFLA-HNNXBMFYSA-N 2 2 340.512 1.347 20 0 EDADLP CCCN(CC(C)(C)O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370577636 276250374 /nfs/dbraw/zinc/25/03/74/276250374.db2.gz KBAMKRUNCXQFLA-HNNXBMFYSA-N 2 2 340.512 1.347 20 0 EDADLP CCOC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000286066134 287927611 /nfs/dbraw/zinc/92/76/11/287927611.db2.gz JHUADYDLXXZHQR-KRWDZBQOSA-N 2 2 348.491 1.771 20 0 EDADLP CN1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCCn4cc[nH+]c43)C2)CC1 ZINC000362846921 277107166 /nfs/dbraw/zinc/10/71/66/277107166.db2.gz MLSDGZPWCPVVAP-IRXDYDNUSA-N 2 2 345.491 1.247 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000496941086 277186473 /nfs/dbraw/zinc/18/64/73/277186473.db2.gz GBIDHVPKYBHXKO-JKSUJKDBSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000496941086 277186475 /nfs/dbraw/zinc/18/64/75/277186475.db2.gz GBIDHVPKYBHXKO-JKSUJKDBSA-N 2 2 341.496 1.822 20 0 EDADLP COCCC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000366194162 277202687 /nfs/dbraw/zinc/20/26/87/277202687.db2.gz BBDRXDJRJITGTB-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP COCCC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000366194162 277202688 /nfs/dbraw/zinc/20/26/88/277202688.db2.gz BBDRXDJRJITGTB-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311035608 277237002 /nfs/dbraw/zinc/23/70/02/277237002.db2.gz ODFVSNJAQZNGEQ-USXIJHARSA-N 2 2 344.459 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311035608 277237003 /nfs/dbraw/zinc/23/70/03/277237003.db2.gz ODFVSNJAQZNGEQ-USXIJHARSA-N 2 2 344.459 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311035608 277237005 /nfs/dbraw/zinc/23/70/05/277237005.db2.gz ODFVSNJAQZNGEQ-USXIJHARSA-N 2 2 344.459 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311035608 277237006 /nfs/dbraw/zinc/23/70/06/277237006.db2.gz ODFVSNJAQZNGEQ-USXIJHARSA-N 2 2 344.459 1.284 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000286418982 288001136 /nfs/dbraw/zinc/00/11/36/288001136.db2.gz BELSOHAQIVIOSJ-QAPCUYQASA-N 2 2 340.427 1.808 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000346896004 278170438 /nfs/dbraw/zinc/17/04/38/278170438.db2.gz CNJQNFPIRLSTFX-HIFRSBDPSA-N 2 2 337.468 1.527 20 0 EDADLP CC[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000286548680 288032168 /nfs/dbraw/zinc/03/21/68/288032168.db2.gz ONELIUVFCDPRBF-SFHVURJKSA-N 2 2 344.503 1.357 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413124902 278971537 /nfs/dbraw/zinc/97/15/37/278971537.db2.gz DRDXKSMOGPSJAP-HNNXBMFYSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000286864498 288107827 /nfs/dbraw/zinc/10/78/27/288107827.db2.gz BMJUBWNHYXUDTR-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000286864498 288107829 /nfs/dbraw/zinc/10/78/29/288107829.db2.gz BMJUBWNHYXUDTR-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000122368009 279369465 /nfs/dbraw/zinc/36/94/65/279369465.db2.gz VQTVQIZMRDRSCR-SJORKVTESA-N 2 2 334.439 1.064 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000122368009 279369467 /nfs/dbraw/zinc/36/94/67/279369467.db2.gz VQTVQIZMRDRSCR-SJORKVTESA-N 2 2 334.439 1.064 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@](F)(CO)C3)c2cc1C ZINC000287107953 288157737 /nfs/dbraw/zinc/15/77/37/288157737.db2.gz WQOZVELZUDSXGO-YJBOKZPZSA-N 2 2 335.423 1.810 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@](F)(CO)C3)c2cc1C ZINC000287107953 288157740 /nfs/dbraw/zinc/15/77/40/288157740.db2.gz WQOZVELZUDSXGO-YJBOKZPZSA-N 2 2 335.423 1.810 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)OC ZINC000360583978 280142135 /nfs/dbraw/zinc/14/21/35/280142135.db2.gz PFPYTUBRULLXFH-ZBFHGGJFSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)OC ZINC000360583978 280142139 /nfs/dbraw/zinc/14/21/39/280142139.db2.gz PFPYTUBRULLXFH-ZBFHGGJFSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000247520687 280253124 /nfs/dbraw/zinc/25/31/24/280253124.db2.gz WRYXDECVTZXXHB-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000247520687 280253128 /nfs/dbraw/zinc/25/31/28/280253128.db2.gz WRYXDECVTZXXHB-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000364688255 281542823 /nfs/dbraw/zinc/54/28/23/281542823.db2.gz XMLWHSQVQONFAK-HUUCEWRRSA-N 2 2 349.479 1.605 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)cc1 ZINC000287948771 288363904 /nfs/dbraw/zinc/36/39/04/288363904.db2.gz GQSPXWWHVUYDJU-INIZCTEOSA-N 2 2 348.491 1.863 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289302968 288670463 /nfs/dbraw/zinc/67/04/63/288670463.db2.gz AGTSLZVXYOIAIJ-UHFFFAOYSA-N 2 2 349.431 1.255 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)nc1 ZINC000289971838 288813579 /nfs/dbraw/zinc/81/35/79/288813579.db2.gz XLBRKKDPFKPWBH-DGCLKSJQSA-N 2 2 328.254 1.951 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000290292928 288873458 /nfs/dbraw/zinc/87/34/58/288873458.db2.gz YCPOKLYBHGQYBP-HZPDHXFCSA-N 2 2 332.448 1.169 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CO)c2ccc(F)cc2)CC1 ZINC000291140722 289007596 /nfs/dbraw/zinc/00/75/96/289007596.db2.gz GAOVVVXOWKDDHQ-KRWDZBQOSA-N 2 2 338.423 1.866 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCC[N@@H+]1C ZINC000347755718 289049163 /nfs/dbraw/zinc/04/91/63/289049163.db2.gz NKGZJJUFNULDLL-MCIONIFRSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCC[N@H+]1C ZINC000347755718 289049166 /nfs/dbraw/zinc/04/91/66/289049166.db2.gz NKGZJJUFNULDLL-MCIONIFRSA-N 2 2 333.436 1.062 20 0 EDADLP C[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000133656720 289162111 /nfs/dbraw/zinc/16/21/11/289162111.db2.gz QTRLENKRAOHRRR-ZDUSSCGKSA-N 2 2 340.418 1.790 20 0 EDADLP C[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000133656720 289162116 /nfs/dbraw/zinc/16/21/16/289162116.db2.gz QTRLENKRAOHRRR-ZDUSSCGKSA-N 2 2 340.418 1.790 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292214380 289291202 /nfs/dbraw/zinc/29/12/02/289291202.db2.gz UKGLKWFIJBPZRA-HNAYVOBHSA-N 2 2 333.451 1.901 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292214380 289291206 /nfs/dbraw/zinc/29/12/06/289291206.db2.gz UKGLKWFIJBPZRA-HNAYVOBHSA-N 2 2 333.451 1.901 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292214380 289291207 /nfs/dbraw/zinc/29/12/07/289291207.db2.gz UKGLKWFIJBPZRA-HNAYVOBHSA-N 2 2 333.451 1.901 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292214380 289291209 /nfs/dbraw/zinc/29/12/09/289291209.db2.gz UKGLKWFIJBPZRA-HNAYVOBHSA-N 2 2 333.451 1.901 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755585 289347773 /nfs/dbraw/zinc/34/77/73/289347773.db2.gz BURZQHATNYCVLV-AEFFLSMTSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755585 289347774 /nfs/dbraw/zinc/34/77/74/289347774.db2.gz BURZQHATNYCVLV-AEFFLSMTSA-N 2 2 336.524 1.536 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000292486595 289360544 /nfs/dbraw/zinc/36/05/44/289360544.db2.gz ZYZFMBPBODSEPT-ZDUSSCGKSA-N 2 2 331.420 1.841 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000418533568 289476735 /nfs/dbraw/zinc/47/67/35/289476735.db2.gz VMHFBNUGPAMQKM-SJORKVTESA-N 2 2 348.491 1.656 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000333727112 290270662 /nfs/dbraw/zinc/27/06/62/290270662.db2.gz VNORIJRAMMZSHX-GVDBMIGSSA-N 2 2 345.491 1.858 20 0 EDADLP COC[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000189470126 293233300 /nfs/dbraw/zinc/23/33/00/293233300.db2.gz UPAINKDYQKESMD-JQHSSLGASA-N 2 2 349.475 1.141 20 0 EDADLP COC[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000189470126 293233301 /nfs/dbraw/zinc/23/33/01/293233301.db2.gz UPAINKDYQKESMD-JQHSSLGASA-N 2 2 349.475 1.141 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000493897811 298984825 /nfs/dbraw/zinc/98/48/25/298984825.db2.gz RICPFZUESBFGJK-STQMWFEESA-N 2 2 337.468 1.780 20 0 EDADLP O=C1[C@H]([NH2+][C@H]2CCC23CCCC3)CCCN1CC[NH+]1CCOCC1 ZINC000373712729 304715806 /nfs/dbraw/zinc/71/58/06/304715806.db2.gz QDKIBNIDTZXMSB-SJORKVTESA-N 2 2 335.492 1.622 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000420373924 304752918 /nfs/dbraw/zinc/75/29/18/304752918.db2.gz RMSZAIXZCKGWHJ-PDOICOKGSA-N 2 2 344.503 1.605 20 0 EDADLP COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420401557 304755946 /nfs/dbraw/zinc/75/59/46/304755946.db2.gz GQRHRBYKJFUEDU-UHFFFAOYSA-N 2 2 341.839 1.381 20 0 EDADLP C[C@@H]1C[C@H](CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664639946 453274890 /nfs/dbraw/zinc/27/48/90/453274890.db2.gz GPIOCIFSAGXDSP-HZPDHXFCSA-N 2 2 328.501 1.374 20 0 EDADLP C[C@@H]1C[C@H](CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664639946 453274896 /nfs/dbraw/zinc/27/48/96/453274896.db2.gz GPIOCIFSAGXDSP-HZPDHXFCSA-N 2 2 328.501 1.374 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+]3CCOCC3)C2)C1 ZINC000293942126 303042045 /nfs/dbraw/zinc/04/20/45/303042045.db2.gz RLODLTSRBRHVQK-HXUWFJFHSA-N 2 2 343.471 1.687 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C[NH+]3CCOCC3)C2)C1 ZINC000293942126 303042047 /nfs/dbraw/zinc/04/20/47/303042047.db2.gz RLODLTSRBRHVQK-HXUWFJFHSA-N 2 2 343.471 1.687 20 0 EDADLP O=C1COc2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2N1 ZINC000294689659 303136306 /nfs/dbraw/zinc/13/63/06/303136306.db2.gz NLOPXUDHENEOIW-MRXNPFEDSA-N 2 2 345.443 1.562 20 0 EDADLP O=C1COc2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2N1 ZINC000294689659 303136308 /nfs/dbraw/zinc/13/63/08/303136308.db2.gz NLOPXUDHENEOIW-MRXNPFEDSA-N 2 2 345.443 1.562 20 0 EDADLP C[C@@H]([N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)(C)O ZINC000295054739 303168075 /nfs/dbraw/zinc/16/80/75/303168075.db2.gz BJFSSPKYTBOQLJ-MRXNPFEDSA-N 2 2 333.476 1.422 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000295059213 303168724 /nfs/dbraw/zinc/16/87/24/303168724.db2.gz TYIPNINOXDAYEP-UHFFFAOYSA-N 2 2 342.399 1.407 20 0 EDADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295192922 303186462 /nfs/dbraw/zinc/18/64/62/303186462.db2.gz XMCSWKFGSNZFIT-RHSMWYFYSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295192922 303186463 /nfs/dbraw/zinc/18/64/63/303186463.db2.gz XMCSWKFGSNZFIT-RHSMWYFYSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(F)cc(F)c1 ZINC000295268525 303197197 /nfs/dbraw/zinc/19/71/97/303197197.db2.gz VKFAQCPSYLPTAZ-BLLLJJGKSA-N 2 2 325.403 1.998 20 0 EDADLP C[C@@H](C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(F)cc(F)c1 ZINC000295268525 303197198 /nfs/dbraw/zinc/19/71/98/303197198.db2.gz VKFAQCPSYLPTAZ-BLLLJJGKSA-N 2 2 325.403 1.998 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000295325493 303204979 /nfs/dbraw/zinc/20/49/79/303204979.db2.gz ZFTMSYOSCWNJIZ-CVEARBPZSA-N 2 2 333.480 1.096 20 0 EDADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295418368 303215889 /nfs/dbraw/zinc/21/58/89/303215889.db2.gz IFTPCCLKVRRNSX-UHFFFAOYSA-N 2 2 344.463 1.223 20 0 EDADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295418368 303215891 /nfs/dbraw/zinc/21/58/91/303215891.db2.gz IFTPCCLKVRRNSX-UHFFFAOYSA-N 2 2 344.463 1.223 20 0 EDADLP CN(CCCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1)CC[NH+](C)C ZINC000295418368 303215893 /nfs/dbraw/zinc/21/58/93/303215893.db2.gz IFTPCCLKVRRNSX-UHFFFAOYSA-N 2 2 344.463 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C[C@H](C)[N@H+]1C ZINC000296620023 303327683 /nfs/dbraw/zinc/32/76/83/303327683.db2.gz QAVTZHPQLNJKKN-GASCZTMLSA-N 2 2 347.463 1.152 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000296620023 303327685 /nfs/dbraw/zinc/32/76/85/303327685.db2.gz QAVTZHPQLNJKKN-GASCZTMLSA-N 2 2 347.463 1.152 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000297329861 303386218 /nfs/dbraw/zinc/38/62/18/303386218.db2.gz GMARFFSRYHLPEX-HNNXBMFYSA-N 2 2 348.472 1.785 20 0 EDADLP [NH3+][C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)[C@@H]2CC[C@H]1C2 ZINC000165141753 303476742 /nfs/dbraw/zinc/47/67/42/303476742.db2.gz GZKOBCHAPVPPET-ZRSRNVLSSA-N 2 2 343.471 1.550 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000299682547 303648673 /nfs/dbraw/zinc/64/86/73/303648673.db2.gz RUFQWBXBXUAFFO-SFHVURJKSA-N 2 2 344.503 1.275 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3CCC[N@@H+]3CCCO)cn21 ZINC000458373936 447334025 /nfs/dbraw/zinc/33/40/25/447334025.db2.gz SCYVTRXNRGMYEE-INIZCTEOSA-N 2 2 345.447 1.289 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3CCC[N@H+]3CCCO)cn21 ZINC000458373936 447334029 /nfs/dbraw/zinc/33/40/29/447334029.db2.gz SCYVTRXNRGMYEE-INIZCTEOSA-N 2 2 345.447 1.289 20 0 EDADLP C[C@H](CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1)C[NH+]1CCOCC1 ZINC000302905779 303741141 /nfs/dbraw/zinc/74/11/41/303741141.db2.gz SSZKPEWOFGDOMO-CVEARBPZSA-N 2 2 349.479 1.208 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000422915839 304880145 /nfs/dbraw/zinc/88/01/45/304880145.db2.gz ZFOQPJKCKKDNET-JKSUJKDBSA-N 3 2 341.496 1.008 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH2+]CC2)CCN1c1cccc(Br)c1 ZINC000423087317 304885250 /nfs/dbraw/zinc/88/52/50/304885250.db2.gz NUXYIWUCQBNBLO-CQSZACIVSA-N 2 2 338.249 1.896 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423468131 304896955 /nfs/dbraw/zinc/89/69/55/304896955.db2.gz JKUJHTLCKJXYSM-ZNMIVQPWSA-N 2 2 347.463 1.152 20 0 EDADLP [NH3+]C[C@@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC000423724338 304906036 /nfs/dbraw/zinc/90/60/36/304906036.db2.gz HUSNWUGKEXZNMT-GOSISDBHSA-N 2 2 342.418 1.607 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428028775 305004360 /nfs/dbraw/zinc/00/43/60/305004360.db2.gz AURYRTTVQASJRA-WMLDXEAASA-N 2 2 338.473 1.543 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428028775 305004361 /nfs/dbraw/zinc/00/43/61/305004361.db2.gz AURYRTTVQASJRA-WMLDXEAASA-N 2 2 338.473 1.543 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428032084 305004569 /nfs/dbraw/zinc/00/45/69/305004569.db2.gz NIZSNGQSQCUHAE-BQFCYCMXSA-N 2 2 331.460 1.562 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428032084 305004570 /nfs/dbraw/zinc/00/45/70/305004570.db2.gz NIZSNGQSQCUHAE-BQFCYCMXSA-N 2 2 331.460 1.562 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428048496 305005664 /nfs/dbraw/zinc/00/56/64/305005664.db2.gz JDQBKADOKNVOOU-GOEBONIOSA-N 2 2 335.423 1.347 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428048496 305005665 /nfs/dbraw/zinc/00/56/65/305005665.db2.gz JDQBKADOKNVOOU-GOEBONIOSA-N 2 2 335.423 1.347 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428054851 305005997 /nfs/dbraw/zinc/00/59/97/305005997.db2.gz PFVWUMAZHRNBLZ-VBQJREDUSA-N 2 2 347.459 1.565 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428054851 305005998 /nfs/dbraw/zinc/00/59/98/305005998.db2.gz PFVWUMAZHRNBLZ-VBQJREDUSA-N 2 2 347.459 1.565 20 0 EDADLP CCCc1nc(C)c(C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)o1 ZINC000428251882 305008846 /nfs/dbraw/zinc/00/88/46/305008846.db2.gz ZRYZPAMYUWDRHG-UHFFFAOYSA-N 2 2 336.480 1.922 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CCO1 ZINC000429457075 305030253 /nfs/dbraw/zinc/03/02/53/305030253.db2.gz UIOIOIIDQAVGAH-IAGOWNOFSA-N 2 2 341.496 1.007 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CCO1 ZINC000429457075 305030254 /nfs/dbraw/zinc/03/02/54/305030254.db2.gz UIOIOIIDQAVGAH-IAGOWNOFSA-N 2 2 341.496 1.007 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430580981 305056970 /nfs/dbraw/zinc/05/69/70/305056970.db2.gz IHNVVIPFHIXGNU-SFHVURJKSA-N 3 2 333.480 1.083 20 0 EDADLP C[N@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)C1CC[NH2+]CC1 ZINC000430602212 305057887 /nfs/dbraw/zinc/05/78/87/305057887.db2.gz GMUTVJABGIRWBJ-UHFFFAOYSA-N 2 2 341.402 1.631 20 0 EDADLP C[N@@H+](CC(=O)NCCc1ccc(OC(F)F)cc1)C1CC[NH2+]CC1 ZINC000430602212 305057888 /nfs/dbraw/zinc/05/78/88/305057888.db2.gz GMUTVJABGIRWBJ-UHFFFAOYSA-N 2 2 341.402 1.631 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C1 ZINC000430606345 305058382 /nfs/dbraw/zinc/05/83/82/305058382.db2.gz VDGKIUSZAZCROT-HNNXBMFYSA-N 2 2 332.448 1.883 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C1 ZINC000430606345 305058383 /nfs/dbraw/zinc/05/83/83/305058383.db2.gz VDGKIUSZAZCROT-HNNXBMFYSA-N 2 2 332.448 1.883 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430606333 305058456 /nfs/dbraw/zinc/05/84/56/305058456.db2.gz VBDRFPOAGZKGME-SFHVURJKSA-N 2 2 333.476 1.899 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430606333 305058457 /nfs/dbraw/zinc/05/84/57/305058457.db2.gz VBDRFPOAGZKGME-SFHVURJKSA-N 2 2 333.476 1.899 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430734429 305063641 /nfs/dbraw/zinc/06/36/41/305063641.db2.gz VUHYUEVWUNEXRZ-MRXNPFEDSA-N 2 2 328.416 1.268 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430921882 305068303 /nfs/dbraw/zinc/06/83/03/305068303.db2.gz VLXGQPKPCFBVPZ-YJBOKZPZSA-N 2 2 333.476 1.899 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430921882 305068304 /nfs/dbraw/zinc/06/83/04/305068304.db2.gz VLXGQPKPCFBVPZ-YJBOKZPZSA-N 2 2 333.476 1.899 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000430933701 305068942 /nfs/dbraw/zinc/06/89/42/305068942.db2.gz JIOPCFXYJXZSLY-AWEZNQCLSA-N 2 2 341.402 1.788 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C1 ZINC000430933701 305068943 /nfs/dbraw/zinc/06/89/43/305068943.db2.gz JIOPCFXYJXZSLY-AWEZNQCLSA-N 2 2 341.402 1.788 20 0 EDADLP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000430964132 305071334 /nfs/dbraw/zinc/07/13/34/305071334.db2.gz CMHXOYCUBFMBOE-LBPRGKRZSA-N 2 2 339.461 1.088 20 0 EDADLP CCCCN(C)C(=O)C1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431072828 305074123 /nfs/dbraw/zinc/07/41/23/305074123.db2.gz ULWYQLIBODQDLM-UHFFFAOYSA-N 2 2 337.468 1.734 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H](C[NH3+])C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000433161744 305102158 /nfs/dbraw/zinc/10/21/58/305102158.db2.gz YHDJYCFOLVNRIG-CVEARBPZSA-N 3 2 347.507 1.605 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)C(C)(C)C ZINC000433912507 305114380 /nfs/dbraw/zinc/11/43/80/305114380.db2.gz PAKWEIABIYUJBE-HNNXBMFYSA-N 2 2 340.512 1.517 20 0 EDADLP CCOc1nccc(C)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000433968059 305116140 /nfs/dbraw/zinc/11/61/40/305116140.db2.gz PBINAOAMHQXOQL-UHFFFAOYSA-N 2 2 348.491 1.887 20 0 EDADLP CCOc1nccc(C)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000433968059 305116141 /nfs/dbraw/zinc/11/61/41/305116141.db2.gz PBINAOAMHQXOQL-UHFFFAOYSA-N 2 2 348.491 1.887 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491686 305123484 /nfs/dbraw/zinc/12/34/84/305123484.db2.gz CXWKLJRWINHPHY-ZBFHGGJFSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491686 305123485 /nfs/dbraw/zinc/12/34/85/305123485.db2.gz CXWKLJRWINHPHY-ZBFHGGJFSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491686 305123486 /nfs/dbraw/zinc/12/34/86/305123486.db2.gz CXWKLJRWINHPHY-ZBFHGGJFSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491686 305123487 /nfs/dbraw/zinc/12/34/87/305123487.db2.gz CXWKLJRWINHPHY-ZBFHGGJFSA-N 2 2 348.516 1.969 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000434876321 305132050 /nfs/dbraw/zinc/13/20/50/305132050.db2.gz XRMZPXXHDDOZHH-GDBMZVCRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000434876321 305132051 /nfs/dbraw/zinc/13/20/51/305132051.db2.gz XRMZPXXHDDOZHH-GDBMZVCRSA-N 2 2 326.485 1.079 20 0 EDADLP O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)N1 ZINC000435027397 305134730 /nfs/dbraw/zinc/13/47/30/305134730.db2.gz FZJXKAGCZJPFDO-OAHLLOKOSA-N 2 2 331.401 1.108 20 0 EDADLP O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)N1 ZINC000435027397 305134731 /nfs/dbraw/zinc/13/47/31/305134731.db2.gz FZJXKAGCZJPFDO-OAHLLOKOSA-N 2 2 331.401 1.108 20 0 EDADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435239406 305137700 /nfs/dbraw/zinc/13/77/00/305137700.db2.gz WBLLOMIUKYMVDH-ZWKOTPCHSA-N 2 2 329.444 1.240 20 0 EDADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435239406 305137701 /nfs/dbraw/zinc/13/77/01/305137701.db2.gz WBLLOMIUKYMVDH-ZWKOTPCHSA-N 2 2 329.444 1.240 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000436453458 305157414 /nfs/dbraw/zinc/15/74/14/305157414.db2.gz DXVLPXAITZNQQE-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000436453458 305157415 /nfs/dbraw/zinc/15/74/15/305157415.db2.gz DXVLPXAITZNQQE-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000436453458 305157416 /nfs/dbraw/zinc/15/74/16/305157416.db2.gz DXVLPXAITZNQQE-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000436453458 305157417 /nfs/dbraw/zinc/15/74/17/305157417.db2.gz DXVLPXAITZNQQE-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)Cn1cc[nH+]c1 ZINC000438898566 305190929 /nfs/dbraw/zinc/19/09/29/305190929.db2.gz XUWAXGWPGMTEHD-CJNGLKHVSA-N 2 2 325.416 1.687 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H]1C ZINC000441069403 305217000 /nfs/dbraw/zinc/21/70/00/305217000.db2.gz DVYKTEILQRCIFB-KGLIPLIRSA-N 2 2 344.459 1.512 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H]1C ZINC000441069403 305217001 /nfs/dbraw/zinc/21/70/01/305217001.db2.gz DVYKTEILQRCIFB-KGLIPLIRSA-N 2 2 344.459 1.512 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@H]1C ZINC000441069403 305217002 /nfs/dbraw/zinc/21/70/02/305217002.db2.gz DVYKTEILQRCIFB-KGLIPLIRSA-N 2 2 344.459 1.512 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@H]1C ZINC000441069403 305217003 /nfs/dbraw/zinc/21/70/03/305217003.db2.gz DVYKTEILQRCIFB-KGLIPLIRSA-N 2 2 344.459 1.512 20 0 EDADLP CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442957070 305232090 /nfs/dbraw/zinc/23/20/90/305232090.db2.gz RHVDGMZFBQHINA-UHFFFAOYSA-N 2 2 348.472 1.648 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000446373318 305263968 /nfs/dbraw/zinc/26/39/68/305263968.db2.gz QYCULKOAEPHTDW-JOQOYGCGSA-N 2 2 332.448 1.648 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000446373318 305263969 /nfs/dbraw/zinc/26/39/69/305263969.db2.gz QYCULKOAEPHTDW-JOQOYGCGSA-N 2 2 332.448 1.648 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)C2 ZINC000452360430 305392495 /nfs/dbraw/zinc/39/24/95/305392495.db2.gz IVLOUJHYJQHMGU-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)C2 ZINC000452360430 305392496 /nfs/dbraw/zinc/39/24/96/305392496.db2.gz IVLOUJHYJQHMGU-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)CC2 ZINC000452360430 305392497 /nfs/dbraw/zinc/39/24/97/305392497.db2.gz IVLOUJHYJQHMGU-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)CC2 ZINC000452360430 305392498 /nfs/dbraw/zinc/39/24/98/305392498.db2.gz IVLOUJHYJQHMGU-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000452395332 305397726 /nfs/dbraw/zinc/39/77/26/305397726.db2.gz WKOMBUDHIOAROC-QZTJIDSGSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000452395332 305397727 /nfs/dbraw/zinc/39/77/27/305397727.db2.gz WKOMBUDHIOAROC-QZTJIDSGSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000452395332 305397728 /nfs/dbraw/zinc/39/77/28/305397728.db2.gz WKOMBUDHIOAROC-QZTJIDSGSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@H]1CCCC[NH+]1CCO)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000452395332 305397729 /nfs/dbraw/zinc/39/77/29/305397729.db2.gz WKOMBUDHIOAROC-QZTJIDSGSA-N 2 2 331.460 1.224 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)N3CCCCC3)CC2)CC1 ZINC000488104334 305556674 /nfs/dbraw/zinc/55/66/74/305556674.db2.gz UJIVGEIUCOYDCX-UHFFFAOYSA-N 2 2 336.524 1.489 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000488559094 305560351 /nfs/dbraw/zinc/56/03/51/305560351.db2.gz HYKZMLKOCVYDCK-HZPDHXFCSA-N 2 2 349.479 1.340 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)/C=C\C[NH+](C)C ZINC000492071960 305585321 /nfs/dbraw/zinc/58/53/21/305585321.db2.gz REHLXLRIOVASRT-IJVDHGTGSA-N 2 2 337.489 1.698 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000493125328 305614133 /nfs/dbraw/zinc/61/41/33/305614133.db2.gz GLCKYXIGEWUVSJ-BBOMDTFKSA-N 2 2 326.400 1.380 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)/C=C\c3[nH]cc[nH+]3)c2)CC1 ZINC000493580898 305619678 /nfs/dbraw/zinc/61/96/78/305619678.db2.gz CVTPPORRNZREEW-WAYWQWQTSA-N 2 2 325.416 1.809 20 0 EDADLP C[C@@]1(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC[NH2+]C1 ZINC000519392083 305767970 /nfs/dbraw/zinc/76/79/70/305767970.db2.gz RMYWYXSOBQRKMF-LJQANCHMSA-N 2 2 345.443 1.102 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000527926158 305860297 /nfs/dbraw/zinc/86/02/97/305860297.db2.gz PDMVYBVROBDGKH-UHFFFAOYSA-N 2 2 345.422 1.269 20 0 EDADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414928231 447361047 /nfs/dbraw/zinc/36/10/47/447361047.db2.gz MAUNDZIPWHVLFX-CYBMUJFWSA-N 2 2 327.856 1.488 20 0 EDADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530220745 305934510 /nfs/dbraw/zinc/93/45/10/305934510.db2.gz AQTURDPXMMIWCA-IRXDYDNUSA-N 2 2 338.496 1.225 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000533736231 306002726 /nfs/dbraw/zinc/00/27/26/306002726.db2.gz DRIQPUBPDCVFJQ-AWEZNQCLSA-N 2 2 342.447 1.695 20 0 EDADLP O=C(C[NH+]1CCC(Nc2cccc[nH+]2)CC1)NC(=O)NC1CCCC1 ZINC000534128039 306003765 /nfs/dbraw/zinc/00/37/65/306003765.db2.gz KQRYJNNXCAITJI-UHFFFAOYSA-N 2 2 345.447 1.726 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369716 306020498 /nfs/dbraw/zinc/02/04/98/306020498.db2.gz MZEVNADWPLUIAS-UHFFFAOYSA-N 2 2 333.436 1.440 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NCCCCn3cc[nH+]c3)[nH+]cn2)C1 ZINC000538706783 306032659 /nfs/dbraw/zinc/03/26/59/306032659.db2.gz LMNQKHFKDLATMO-OAHLLOKOSA-N 2 2 330.436 1.774 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000543411215 306063588 /nfs/dbraw/zinc/06/35/88/306063588.db2.gz GFJZVRJYWAUPLM-QGZVFWFLSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000543411215 306063589 /nfs/dbraw/zinc/06/35/89/306063589.db2.gz GFJZVRJYWAUPLM-QGZVFWFLSA-N 2 2 326.444 1.991 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000544616469 306077353 /nfs/dbraw/zinc/07/73/53/306077353.db2.gz JPLAPILWFSSNIP-UHFFFAOYSA-N 2 2 346.475 1.333 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000546588097 306093488 /nfs/dbraw/zinc/09/34/88/306093488.db2.gz GRPOWLLRJIEOPH-UHFFFAOYSA-N 2 2 342.447 1.416 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000546588097 306093489 /nfs/dbraw/zinc/09/34/89/306093489.db2.gz GRPOWLLRJIEOPH-UHFFFAOYSA-N 2 2 342.447 1.416 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547654655 306106668 /nfs/dbraw/zinc/10/66/68/306106668.db2.gz VSPXYZQHZXJWQZ-OCCSQVGLSA-N 2 2 334.445 1.457 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000547672381 306107461 /nfs/dbraw/zinc/10/74/61/306107461.db2.gz DDAPBEFTDOMSED-HOTGVXAUSA-N 2 2 327.432 1.800 20 0 EDADLP O=C(C[NH+]1CCC2(CCO2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000548863403 306140270 /nfs/dbraw/zinc/14/02/70/306140270.db2.gz FOVNNUQAEPFGSJ-UHFFFAOYSA-N 2 2 349.500 1.647 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000549093148 306144450 /nfs/dbraw/zinc/14/44/50/306144450.db2.gz ZSGRIELVAWQEOY-UHFFFAOYSA-N 2 2 342.443 1.726 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000549093148 306144451 /nfs/dbraw/zinc/14/44/51/306144451.db2.gz ZSGRIELVAWQEOY-UHFFFAOYSA-N 2 2 342.443 1.726 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccncc1F ZINC000550918202 306154980 /nfs/dbraw/zinc/15/49/80/306154980.db2.gz ZCSGFVIZWWELDT-DOMZBBRYSA-N 2 2 331.395 1.796 20 0 EDADLP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000553054059 306182127 /nfs/dbraw/zinc/18/21/27/306182127.db2.gz VWPDSWAPWJTGBJ-UHFFFAOYSA-N 2 2 343.431 1.606 20 0 EDADLP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000553054059 306182128 /nfs/dbraw/zinc/18/21/28/306182128.db2.gz VWPDSWAPWJTGBJ-UHFFFAOYSA-N 2 2 343.431 1.606 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000556645604 306212662 /nfs/dbraw/zinc/21/26/62/306212662.db2.gz AKHTXXBAWIZXBR-UHFFFAOYSA-N 2 2 349.479 1.018 20 0 EDADLP COC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000556963954 306222069 /nfs/dbraw/zinc/22/20/69/306222069.db2.gz RYEIDLJVQHAXDM-NSHDSACASA-N 2 2 340.811 1.233 20 0 EDADLP COC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000556963954 306222070 /nfs/dbraw/zinc/22/20/70/306222070.db2.gz RYEIDLJVQHAXDM-NSHDSACASA-N 2 2 340.811 1.233 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000557218796 306226664 /nfs/dbraw/zinc/22/66/64/306226664.db2.gz BROISDKVRXXJFY-HZPDHXFCSA-N 2 2 338.496 1.271 20 0 EDADLP COc1c(Br)cccc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414977213 447381489 /nfs/dbraw/zinc/38/14/89/447381489.db2.gz POOUNHPLHFBRGP-GFCCVEGCSA-N 2 2 328.254 1.451 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1COC(C)(C)C1 ZINC000665410758 453684925 /nfs/dbraw/zinc/68/49/25/453684925.db2.gz NHUNPSKGXBHCEI-CQSZACIVSA-N 2 2 326.485 1.221 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1COC(C)(C)C1 ZINC000665410758 453684929 /nfs/dbraw/zinc/68/49/29/453684929.db2.gz NHUNPSKGXBHCEI-CQSZACIVSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[C@@H](C)F)CC2)CC1 ZINC000422196756 447400090 /nfs/dbraw/zinc/40/00/90/447400090.db2.gz FFJPXWCLRCATKW-OAHLLOKOSA-N 2 2 328.476 1.936 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[C@@H](C)F)CC2)CC1 ZINC000422196756 447400094 /nfs/dbraw/zinc/40/00/94/447400094.db2.gz FFJPXWCLRCATKW-OAHLLOKOSA-N 2 2 328.476 1.936 20 0 EDADLP COCCC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000378160763 447404718 /nfs/dbraw/zinc/40/47/18/447404718.db2.gz NWDQKQFXWYGDSA-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP COCCC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000378160763 447404722 /nfs/dbraw/zinc/40/47/22/447404722.db2.gz NWDQKQFXWYGDSA-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000422208556 447404853 /nfs/dbraw/zinc/40/48/53/447404853.db2.gz NKQUHPDGZIOXEP-UHFFFAOYSA-N 3 2 347.507 1.866 20 0 EDADLP Cc1cc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000422208556 447404856 /nfs/dbraw/zinc/40/48/56/447404856.db2.gz NKQUHPDGZIOXEP-UHFFFAOYSA-N 3 2 347.507 1.866 20 0 EDADLP Cc1cc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc(C)n1 ZINC000422208556 447404860 /nfs/dbraw/zinc/40/48/60/447404860.db2.gz NKQUHPDGZIOXEP-UHFFFAOYSA-N 2 2 347.507 1.866 20 0 EDADLP Cc1cc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc(C)n1 ZINC000422208556 447404864 /nfs/dbraw/zinc/40/48/64/447404864.db2.gz NKQUHPDGZIOXEP-UHFFFAOYSA-N 2 2 347.507 1.866 20 0 EDADLP CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000378498292 447435815 /nfs/dbraw/zinc/43/58/15/447435815.db2.gz QGALONBYBFFLEC-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP CCC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000378498292 447435819 /nfs/dbraw/zinc/43/58/19/447435819.db2.gz QGALONBYBFFLEC-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[NH+](CC4CC4)CC3)cn2c1 ZINC000057220816 441099710 /nfs/dbraw/zinc/09/97/10/441099710.db2.gz LJGCLPZBMNZOOG-UHFFFAOYSA-N 2 2 327.432 1.880 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000046381670 441104569 /nfs/dbraw/zinc/10/45/69/441104569.db2.gz YXEUKGVDFNRIAK-MRXNPFEDSA-N 2 2 331.464 1.645 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000046381670 441104571 /nfs/dbraw/zinc/10/45/71/441104571.db2.gz YXEUKGVDFNRIAK-MRXNPFEDSA-N 2 2 331.464 1.645 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000081094813 441233371 /nfs/dbraw/zinc/23/33/71/441233371.db2.gz PXRZHJYLAQPYRG-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000081094813 441233377 /nfs/dbraw/zinc/23/33/77/441233377.db2.gz PXRZHJYLAQPYRG-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000081094813 441233379 /nfs/dbraw/zinc/23/33/79/441233379.db2.gz PXRZHJYLAQPYRG-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000081094813 441233384 /nfs/dbraw/zinc/23/33/84/441233384.db2.gz PXRZHJYLAQPYRG-WBVHZDCISA-N 2 2 346.475 1.675 20 0 EDADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cccc(F)c1 ZINC000015300495 441199726 /nfs/dbraw/zinc/19/97/26/441199726.db2.gz HGIIOAZFFXXMGW-UHFFFAOYSA-N 2 2 337.439 1.485 20 0 EDADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1cccc(F)c1 ZINC000015300495 441199729 /nfs/dbraw/zinc/19/97/29/441199729.db2.gz HGIIOAZFFXXMGW-UHFFFAOYSA-N 2 2 337.439 1.485 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCOc1ccc(F)cc1 ZINC000080961737 441212715 /nfs/dbraw/zinc/21/27/15/441212715.db2.gz ZYSVEELEVMEEJZ-CQSZACIVSA-N 2 2 346.406 1.923 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCOc1ccc(F)cc1 ZINC000080961737 441212716 /nfs/dbraw/zinc/21/27/16/441212716.db2.gz ZYSVEELEVMEEJZ-CQSZACIVSA-N 2 2 346.406 1.923 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NCCCCNc2cccc[nH+]2)n1C ZINC000083738327 441373199 /nfs/dbraw/zinc/37/31/99/441373199.db2.gz SEKXRTOKLWJFCH-UHFFFAOYSA-N 2 2 345.451 1.573 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1C ZINC000083738885 441373231 /nfs/dbraw/zinc/37/32/31/441373231.db2.gz DQZWMKRSQQWOCT-LBPRGKRZSA-N 2 2 331.424 1.298 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000074253814 441413217 /nfs/dbraw/zinc/41/32/17/441413217.db2.gz LZFGOPJKUJSJOD-UHFFFAOYSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CCC(O)CC3)CC2)CC1 ZINC000051674613 441419107 /nfs/dbraw/zinc/41/91/07/441419107.db2.gz HLRADWOMBBPRTM-UHFFFAOYSA-N 2 2 338.496 1.148 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000108587723 441466173 /nfs/dbraw/zinc/46/61/73/441466173.db2.gz LQRUXKUBNQHZCX-QGZVFWFLSA-N 2 2 331.464 1.251 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000108587723 441466176 /nfs/dbraw/zinc/46/61/76/441466176.db2.gz LQRUXKUBNQHZCX-QGZVFWFLSA-N 2 2 331.464 1.251 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000110690554 441522411 /nfs/dbraw/zinc/52/24/11/441522411.db2.gz POTBIWAGBPHADS-IBGZPJMESA-N 2 2 343.471 1.829 20 0 EDADLP NC(=O)c1cccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000089546771 441559035 /nfs/dbraw/zinc/55/90/35/441559035.db2.gz VUIQIPFESPJTOV-UHFFFAOYSA-N 2 2 338.455 1.977 20 0 EDADLP COCCC[N@H+](CCOC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000054366089 441575123 /nfs/dbraw/zinc/57/51/23/441575123.db2.gz TYOOLZMDLWBNMQ-QGZVFWFLSA-N 2 2 349.475 1.999 20 0 EDADLP COCCC[N@@H+](CCOC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000054366089 441575130 /nfs/dbraw/zinc/57/51/30/441575130.db2.gz TYOOLZMDLWBNMQ-QGZVFWFLSA-N 2 2 349.475 1.999 20 0 EDADLP NS(=O)(=O)CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000089991636 441610470 /nfs/dbraw/zinc/61/04/70/441610470.db2.gz HDBRRQYRUTVKSW-UHFFFAOYSA-N 2 2 334.445 1.373 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066917056 441586699 /nfs/dbraw/zinc/58/66/99/441586699.db2.gz UUILXEUDAQCURA-KURKYZTESA-N 2 2 339.524 1.968 20 0 EDADLP CCN(C(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1)c1ccccc1 ZINC000089926305 441596991 /nfs/dbraw/zinc/59/69/91/441596991.db2.gz MAXLTXDRUOEQQI-MRXNPFEDSA-N 2 2 341.459 1.984 20 0 EDADLP CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000114458951 441658395 /nfs/dbraw/zinc/65/83/95/441658395.db2.gz HDEAFPRVHHAZBA-QZTJIDSGSA-N 2 2 349.475 1.549 20 0 EDADLP CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000114458951 441658399 /nfs/dbraw/zinc/65/83/99/441658399.db2.gz HDEAFPRVHHAZBA-QZTJIDSGSA-N 2 2 349.475 1.549 20 0 EDADLP CCOC(=O)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000114455737 441658589 /nfs/dbraw/zinc/65/85/89/441658589.db2.gz MGONMCZMEXJDGX-UHFFFAOYSA-N 2 2 341.496 1.497 20 0 EDADLP CCOC(=O)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000114455737 441658592 /nfs/dbraw/zinc/65/85/92/441658592.db2.gz MGONMCZMEXJDGX-UHFFFAOYSA-N 2 2 341.496 1.497 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114817931 441686061 /nfs/dbraw/zinc/68/60/61/441686061.db2.gz BGGVPWYCNGDFBB-QGZVFWFLSA-N 2 2 327.432 1.847 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114817931 441686065 /nfs/dbraw/zinc/68/60/65/441686065.db2.gz BGGVPWYCNGDFBB-QGZVFWFLSA-N 2 2 327.432 1.847 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)NCCCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000068510154 441810582 /nfs/dbraw/zinc/81/05/82/441810582.db2.gz PUENDYKOBZLCCZ-GOSISDBHSA-N 2 2 341.459 1.378 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000173642275 441811274 /nfs/dbraw/zinc/81/12/74/441811274.db2.gz UEXPDRBPGDBLGH-IAGOWNOFSA-N 2 2 347.503 1.995 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2cn3ccccc3[nH+]2)C[C@@H](C)O1 ZINC000122749889 441861643 /nfs/dbraw/zinc/86/16/43/441861643.db2.gz JQGQUDTUQUCLFK-HUUCEWRRSA-N 2 2 344.459 1.881 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC000093190214 441863873 /nfs/dbraw/zinc/86/38/73/441863873.db2.gz LYKMLVPEJOFACX-UHFFFAOYSA-N 2 2 345.487 1.568 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC000093190214 441863877 /nfs/dbraw/zinc/86/38/77/441863877.db2.gz LYKMLVPEJOFACX-UHFFFAOYSA-N 2 2 345.487 1.568 20 0 EDADLP Cc1cccc(NC2CCN(C(=O)NCc3[nH+]ccn3C)CC2)[nH+]1 ZINC000077809625 441864518 /nfs/dbraw/zinc/86/45/18/441864518.db2.gz KNUAUSBZEOMLMY-UHFFFAOYSA-N 2 2 328.420 1.910 20 0 EDADLP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000092740544 441824818 /nfs/dbraw/zinc/82/48/18/441824818.db2.gz HXVJNTGNFMTFGK-OCCSQVGLSA-N 2 2 327.494 1.748 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)nc12 ZINC000139985563 441830677 /nfs/dbraw/zinc/83/06/77/441830677.db2.gz GPGJXRVZTNGFHE-WBVHZDCISA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)nc12 ZINC000139985563 441830679 /nfs/dbraw/zinc/83/06/79/441830679.db2.gz GPGJXRVZTNGFHE-WBVHZDCISA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)nc12 ZINC000139985563 441830685 /nfs/dbraw/zinc/83/06/85/441830685.db2.gz GPGJXRVZTNGFHE-WBVHZDCISA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)nc12 ZINC000139985563 441830691 /nfs/dbraw/zinc/83/06/91/441830691.db2.gz GPGJXRVZTNGFHE-WBVHZDCISA-N 2 2 326.444 1.919 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000174368966 441917476 /nfs/dbraw/zinc/91/74/76/441917476.db2.gz IMYNTJFWSNOIFZ-JKSUJKDBSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000174369782 441917755 /nfs/dbraw/zinc/91/77/55/441917755.db2.gz XDQYFBYNMNJSEO-MAUKXSAKSA-N 2 2 347.459 1.385 20 0 EDADLP CN(C)C(=O)CCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119112155 441917829 /nfs/dbraw/zinc/91/78/29/441917829.db2.gz OTRMYGAOOZGRER-UHFFFAOYSA-N 2 2 325.376 1.491 20 0 EDADLP CCc1ncc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000119359428 441930816 /nfs/dbraw/zinc/93/08/16/441930816.db2.gz PLDLTMHOMREXAL-UHFFFAOYSA-N 2 2 334.468 1.529 20 0 EDADLP CCc1ncc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000119359428 441930820 /nfs/dbraw/zinc/93/08/20/441930820.db2.gz PLDLTMHOMREXAL-UHFFFAOYSA-N 2 2 334.468 1.529 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)nc12 ZINC000150781838 441949582 /nfs/dbraw/zinc/94/95/82/441949582.db2.gz GTYFOTXREHRBIW-MRXNPFEDSA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)nc12 ZINC000150781838 441949586 /nfs/dbraw/zinc/94/95/86/441949586.db2.gz GTYFOTXREHRBIW-MRXNPFEDSA-N 2 2 326.444 1.921 20 0 EDADLP O[C@]1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCSC1 ZINC000119770589 441950008 /nfs/dbraw/zinc/95/00/08/441950008.db2.gz OXOSQJALGGICBW-HNNXBMFYSA-N 2 2 328.401 1.490 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2)CC1 ZINC000174765358 441966968 /nfs/dbraw/zinc/96/69/68/441966968.db2.gz KWUNYZDAGTXTJP-UHFFFAOYSA-N 2 2 327.432 1.524 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775945 441967946 /nfs/dbraw/zinc/96/79/46/441967946.db2.gz JSZRGOALAQROGH-QAPCUYQASA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775945 441967956 /nfs/dbraw/zinc/96/79/56/441967956.db2.gz JSZRGOALAQROGH-QAPCUYQASA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775945 441967961 /nfs/dbraw/zinc/96/79/61/441967961.db2.gz JSZRGOALAQROGH-QAPCUYQASA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775945 441967966 /nfs/dbraw/zinc/96/79/66/441967966.db2.gz JSZRGOALAQROGH-QAPCUYQASA-N 2 2 333.476 1.974 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000151005586 441989143 /nfs/dbraw/zinc/98/91/43/441989143.db2.gz QDMTWPUIOXTBIM-DZGCQCFKSA-N 2 2 348.472 1.765 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000079199236 442029032 /nfs/dbraw/zinc/02/90/32/442029032.db2.gz RTIVGPBGZWBEQR-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000161865191 442039370 /nfs/dbraw/zinc/03/93/70/442039370.db2.gz HSZKDOXXEUNGSB-KRWDZBQOSA-N 2 2 345.553 1.302 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000161865191 442039374 /nfs/dbraw/zinc/03/93/74/442039374.db2.gz HSZKDOXXEUNGSB-KRWDZBQOSA-N 2 2 345.553 1.302 20 0 EDADLP CSC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000125749248 442044901 /nfs/dbraw/zinc/04/49/01/442044901.db2.gz DLWXHZTYTDQPMH-LSVZVQIISA-N 2 2 340.537 1.690 20 0 EDADLP CSC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000125749248 442044904 /nfs/dbraw/zinc/04/49/04/442044904.db2.gz DLWXHZTYTDQPMH-LSVZVQIISA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000120309612 442047253 /nfs/dbraw/zinc/04/72/53/442047253.db2.gz FJNXWKCBYFRBEM-HOCLYGCPSA-N 2 2 334.439 1.204 20 0 EDADLP [NH3+]CCCOC1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000162162743 442069108 /nfs/dbraw/zinc/06/91/08/442069108.db2.gz PTNGCEMBEJLPHR-UHFFFAOYSA-N 2 2 337.489 1.463 20 0 EDADLP [NH3+]CCCOC1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000162162743 442069115 /nfs/dbraw/zinc/06/91/15/442069115.db2.gz PTNGCEMBEJLPHR-UHFFFAOYSA-N 2 2 337.489 1.463 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000079743946 442082097 /nfs/dbraw/zinc/08/20/97/442082097.db2.gz CNCWVPGPJSBBNJ-UHFFFAOYSA-N 2 2 333.436 1.410 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000079743946 442082099 /nfs/dbraw/zinc/08/20/99/442082099.db2.gz CNCWVPGPJSBBNJ-UHFFFAOYSA-N 2 2 333.436 1.410 20 0 EDADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC1 ZINC000162853073 442126706 /nfs/dbraw/zinc/12/67/06/442126706.db2.gz HSSXEJHRIMVJIN-RDJZCZTQSA-N 2 2 347.459 1.472 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000121055091 442170716 /nfs/dbraw/zinc/17/07/16/442170716.db2.gz WYYPGVAFZIWSQV-OAHLLOKOSA-N 2 2 340.431 1.857 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000163337154 442159333 /nfs/dbraw/zinc/15/93/33/442159333.db2.gz SFXNJZNUEZXSMV-DLBZAZTESA-N 2 2 330.476 1.408 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000163337154 442159336 /nfs/dbraw/zinc/15/93/36/442159336.db2.gz SFXNJZNUEZXSMV-DLBZAZTESA-N 2 2 330.476 1.408 20 0 EDADLP Cc1c(C(=O)NCCCNc2cccc[nH+]2)nnn1C1CC[NH2+]CC1 ZINC000165234512 442207664 /nfs/dbraw/zinc/20/76/64/442207664.db2.gz LCZOEXFGQWYXCD-UHFFFAOYSA-N 2 2 343.435 1.138 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176321516 442210185 /nfs/dbraw/zinc/21/01/85/442210185.db2.gz MUBKYNFYLIMTRK-INIZCTEOSA-N 2 2 349.479 1.403 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153010534 442255346 /nfs/dbraw/zinc/25/53/46/442255346.db2.gz POASTZZBBONZKH-OAGGEKHMSA-N 2 2 331.464 1.642 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153010534 442255348 /nfs/dbraw/zinc/25/53/48/442255348.db2.gz POASTZZBBONZKH-OAGGEKHMSA-N 2 2 331.464 1.642 20 0 EDADLP CC1(C)C[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C(C)(C)O1 ZINC000168950184 442225637 /nfs/dbraw/zinc/22/56/37/442225637.db2.gz PLLYTRLPMXTKSN-INIZCTEOSA-N 2 2 327.513 1.312 20 0 EDADLP CC(C)[N@H+](C)CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000127913627 442233178 /nfs/dbraw/zinc/23/31/78/442233178.db2.gz GNJASKOWAMDTIR-UHFFFAOYSA-N 2 2 349.475 1.354 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000127913627 442233181 /nfs/dbraw/zinc/23/31/81/442233181.db2.gz GNJASKOWAMDTIR-UHFFFAOYSA-N 2 2 349.475 1.354 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000153208712 442268140 /nfs/dbraw/zinc/26/81/40/442268140.db2.gz MZJIYGQFSAIIBV-IAGOWNOFSA-N 2 2 343.475 1.788 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CCOC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000153463249 442283909 /nfs/dbraw/zinc/28/39/09/442283909.db2.gz YZKNFILRXVNWSA-SFHVURJKSA-N 2 2 333.432 1.036 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CCOC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000153463249 442283911 /nfs/dbraw/zinc/28/39/11/442283911.db2.gz YZKNFILRXVNWSA-SFHVURJKSA-N 2 2 333.432 1.036 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@]2(CCOC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000153529800 442288271 /nfs/dbraw/zinc/28/82/71/442288271.db2.gz RNFQDKSPMPGRAP-LJQANCHMSA-N 2 2 344.459 1.233 20 0 EDADLP O=C(CC[N@H+]1CC[C@@]2(CCOC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000153529800 442288273 /nfs/dbraw/zinc/28/82/73/442288273.db2.gz RNFQDKSPMPGRAP-LJQANCHMSA-N 2 2 344.459 1.233 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(=O)OC)c(F)c3)C2)CC1 ZINC000154106530 442322093 /nfs/dbraw/zinc/32/20/93/442322093.db2.gz HXQRSYZPBVQRDD-MRXNPFEDSA-N 2 2 349.450 1.824 20 0 EDADLP Cc1cc(C)n(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000154193457 442326277 /nfs/dbraw/zinc/32/62/77/442326277.db2.gz RWRWMCYNDQKYDN-JWTNVVGKSA-N 2 2 345.491 1.269 20 0 EDADLP Cc1cc(C)n(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000154193457 442326279 /nfs/dbraw/zinc/32/62/79/442326279.db2.gz RWRWMCYNDQKYDN-JWTNVVGKSA-N 2 2 345.491 1.269 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCc2ccccc21 ZINC000177381856 442335044 /nfs/dbraw/zinc/33/50/44/442335044.db2.gz FEUPGYKISYWEPJ-UHFFFAOYSA-N 2 2 344.503 1.534 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCc2ccccc21 ZINC000177381856 442335046 /nfs/dbraw/zinc/33/50/46/442335046.db2.gz FEUPGYKISYWEPJ-UHFFFAOYSA-N 2 2 344.503 1.534 20 0 EDADLP CN(CC[N@H+](C)CC(=O)N1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000177381856 442335047 /nfs/dbraw/zinc/33/50/47/442335047.db2.gz FEUPGYKISYWEPJ-UHFFFAOYSA-N 2 2 344.503 1.534 20 0 EDADLP CN(CC[N@@H+](C)CC(=O)N1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000177381856 442335049 /nfs/dbraw/zinc/33/50/49/442335049.db2.gz FEUPGYKISYWEPJ-UHFFFAOYSA-N 2 2 344.503 1.534 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000130365316 442344655 /nfs/dbraw/zinc/34/46/55/442344655.db2.gz IWKBJYYFAFWXAZ-UHFFFAOYSA-N 2 2 330.432 1.872 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000130365316 442344658 /nfs/dbraw/zinc/34/46/58/442344658.db2.gz IWKBJYYFAFWXAZ-UHFFFAOYSA-N 2 2 330.432 1.872 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000153969127 442313753 /nfs/dbraw/zinc/31/37/53/442313753.db2.gz YPBACBNMUVLPGB-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000131125237 442365256 /nfs/dbraw/zinc/36/52/56/442365256.db2.gz FRMBKZDGRTXVBA-LSDHHAIUSA-N 2 2 337.420 1.398 20 0 EDADLP COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000131125237 442365258 /nfs/dbraw/zinc/36/52/58/442365258.db2.gz FRMBKZDGRTXVBA-LSDHHAIUSA-N 2 2 337.420 1.398 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154995572 442369147 /nfs/dbraw/zinc/36/91/47/442369147.db2.gz MNEWGASWBQPEQX-BBWFWOEESA-N 2 2 336.480 1.865 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000154995572 442369149 /nfs/dbraw/zinc/36/91/49/442369149.db2.gz MNEWGASWBQPEQX-BBWFWOEESA-N 2 2 336.480 1.865 20 0 EDADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000131598963 442375818 /nfs/dbraw/zinc/37/58/18/442375818.db2.gz SKOFPGLMYVNNNZ-UHFFFAOYSA-N 2 2 339.505 1.853 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000131598963 442375821 /nfs/dbraw/zinc/37/58/21/442375821.db2.gz SKOFPGLMYVNNNZ-UHFFFAOYSA-N 2 2 339.505 1.853 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)cn21 ZINC000171758729 442378183 /nfs/dbraw/zinc/37/81/83/442378183.db2.gz OKGTYOVJYWRUND-AWEZNQCLSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)cn21 ZINC000171758729 442378186 /nfs/dbraw/zinc/37/81/86/442378186.db2.gz OKGTYOVJYWRUND-AWEZNQCLSA-N 2 2 327.432 1.926 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000171564856 442357431 /nfs/dbraw/zinc/35/74/31/442357431.db2.gz HUPUXVMJIBKDLW-UHFFFAOYSA-N 2 2 325.376 1.094 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000178124517 442409660 /nfs/dbraw/zinc/40/96/60/442409660.db2.gz VZYOPUXJWWMLFP-PKOBYXMFSA-N 2 2 345.487 1.860 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000178124517 442409662 /nfs/dbraw/zinc/40/96/62/442409662.db2.gz VZYOPUXJWWMLFP-PKOBYXMFSA-N 2 2 345.487 1.860 20 0 EDADLP COC[C@H](C)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000178459906 442435742 /nfs/dbraw/zinc/43/57/42/442435742.db2.gz MVCRTOCWMZBRMR-PBHICJAKSA-N 2 2 330.432 1.200 20 0 EDADLP CN(C)c1nc(N2CC[NH+](CCOc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000134172273 442455234 /nfs/dbraw/zinc/45/52/34/442455234.db2.gz FMNVUVXNUXXNRM-UHFFFAOYSA-N 2 2 345.422 1.883 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000179761727 442498922 /nfs/dbraw/zinc/49/89/22/442498922.db2.gz ORFGRUFABMJSOD-IBGZPJMESA-N 2 2 345.443 1.273 20 0 EDADLP CC(C)NC(=O)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178857687 442504838 /nfs/dbraw/zinc/50/48/38/442504838.db2.gz NRTNBYAZPYMECF-UHFFFAOYSA-N 2 2 325.376 1.537 20 0 EDADLP COC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(C)o1 ZINC000134384536 442477456 /nfs/dbraw/zinc/47/74/56/442477456.db2.gz ZFAXUXMOEYSDNA-MRXNPFEDSA-N 2 2 345.447 1.607 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)CN1CC[NH+]1CCOCC1 ZINC000180181272 442553936 /nfs/dbraw/zinc/55/39/36/442553936.db2.gz WTBUXNJQHNTBAW-ICSRJNTNSA-N 2 2 343.471 1.660 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)s1 ZINC000178883053 442513740 /nfs/dbraw/zinc/51/37/40/442513740.db2.gz WOLOXCBGHSFPQZ-QGZVFWFLSA-N 2 2 344.484 1.666 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CC1 ZINC000178889487 442515333 /nfs/dbraw/zinc/51/53/33/442515333.db2.gz FQYGJYBYLNMXRB-FZMWSMFESA-N 2 2 328.460 1.660 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2ccc(=O)[nH]c2)([NH+]2CCCCC2)CC1 ZINC000172749599 442532572 /nfs/dbraw/zinc/53/25/72/442532572.db2.gz DZQKYJYQPIATNP-UHFFFAOYSA-N 2 2 332.448 1.467 20 0 EDADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000180231245 442562993 /nfs/dbraw/zinc/56/29/93/442562993.db2.gz QTLFIZSWUFACFG-QGZVFWFLSA-N 2 2 335.423 1.157 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1F ZINC000187018301 442645978 /nfs/dbraw/zinc/64/59/78/442645978.db2.gz RXTLBBCOTIVTNV-UHFFFAOYSA-N 2 2 327.363 1.912 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000179316494 442619589 /nfs/dbraw/zinc/61/95/89/442619589.db2.gz OVNYGLGPROLLEK-QGZVFWFLSA-N 2 2 348.495 1.083 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000180585829 442629242 /nfs/dbraw/zinc/62/92/42/442629242.db2.gz HSUHDQMBJVPALT-GOSISDBHSA-N 2 2 331.460 1.132 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000180585829 442629244 /nfs/dbraw/zinc/62/92/44/442629244.db2.gz HSUHDQMBJVPALT-GOSISDBHSA-N 2 2 331.460 1.132 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181082466 442679632 /nfs/dbraw/zinc/67/96/32/442679632.db2.gz HCPNISAZJHSMCM-UHFFFAOYSA-N 2 2 336.461 1.656 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181082466 442679634 /nfs/dbraw/zinc/67/96/34/442679634.db2.gz HCPNISAZJHSMCM-UHFFFAOYSA-N 2 2 336.461 1.656 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCN(CCO)[C@H](C)C3)c2cc1C ZINC000187690822 442686470 /nfs/dbraw/zinc/68/64/70/442686470.db2.gz XYNLAZQIWCSTBL-IAGOWNOFSA-N 2 2 346.475 1.012 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCN(CCO)[C@H](C)C3)c2cc1C ZINC000187690822 442686472 /nfs/dbraw/zinc/68/64/72/442686472.db2.gz XYNLAZQIWCSTBL-IAGOWNOFSA-N 2 2 346.475 1.012 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3C[C@H](OC)C[NH2+]3)CC2)c1 ZINC000187947761 442699553 /nfs/dbraw/zinc/69/95/53/442699553.db2.gz HJLYMFLDKDJTLN-FHLIZLRMSA-N 2 2 347.459 1.277 20 0 EDADLP Cc1ccc(OC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000181551091 442703142 /nfs/dbraw/zinc/70/31/42/442703142.db2.gz OVSVSQPRKVPSJI-UHFFFAOYSA-N 2 2 332.448 1.007 20 0 EDADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000188035683 442704537 /nfs/dbraw/zinc/70/45/37/442704537.db2.gz PUKWBMYSLPIDSU-UHFFFAOYSA-N 2 2 326.400 1.501 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953162 442671492 /nfs/dbraw/zinc/67/14/92/442671492.db2.gz ASKLCIFYTDUCCE-HZPDHXFCSA-N 2 2 326.529 1.638 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953162 442671495 /nfs/dbraw/zinc/67/14/95/442671495.db2.gz ASKLCIFYTDUCCE-HZPDHXFCSA-N 2 2 326.529 1.638 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180953162 442671497 /nfs/dbraw/zinc/67/14/97/442671497.db2.gz ASKLCIFYTDUCCE-HZPDHXFCSA-N 2 2 326.529 1.638 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180953162 442671499 /nfs/dbraw/zinc/67/14/99/442671499.db2.gz ASKLCIFYTDUCCE-HZPDHXFCSA-N 2 2 326.529 1.638 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000193529442 442751211 /nfs/dbraw/zinc/75/12/11/442751211.db2.gz HBMHVHDDLZOEQZ-NXHRZFHOSA-N 2 2 346.475 1.936 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000193529442 442751214 /nfs/dbraw/zinc/75/12/14/442751214.db2.gz HBMHVHDDLZOEQZ-NXHRZFHOSA-N 2 2 346.475 1.936 20 0 EDADLP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000246323314 442772726 /nfs/dbraw/zinc/77/27/26/442772726.db2.gz AGCNOXCCHOURIS-YYIAUSFCSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000246323314 442772729 /nfs/dbraw/zinc/77/27/29/442772729.db2.gz AGCNOXCCHOURIS-YYIAUSFCSA-N 2 2 340.512 1.515 20 0 EDADLP CC[N@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)C1CC1 ZINC000246365836 442776409 /nfs/dbraw/zinc/77/64/09/442776409.db2.gz XWASZKYEMUQMGR-GJZGRUSLSA-N 2 2 346.475 1.796 20 0 EDADLP CC[N@@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)C1CC1 ZINC000246365836 442776413 /nfs/dbraw/zinc/77/64/13/442776413.db2.gz XWASZKYEMUQMGR-GJZGRUSLSA-N 2 2 346.475 1.796 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cn1 ZINC000188885165 442835442 /nfs/dbraw/zinc/83/54/42/442835442.db2.gz GMQLAKSPYTZCQZ-JKSUJKDBSA-N 2 2 337.443 1.027 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cn1 ZINC000188885165 442835445 /nfs/dbraw/zinc/83/54/45/442835445.db2.gz GMQLAKSPYTZCQZ-JKSUJKDBSA-N 2 2 337.443 1.027 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000268073655 442837230 /nfs/dbraw/zinc/83/72/30/442837230.db2.gz DHPCOTGYANEKJG-UHFFFAOYSA-N 2 2 337.489 1.747 20 0 EDADLP C[C@H]1SCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000179282946 318455622 /nfs/dbraw/zinc/45/56/22/318455622.db2.gz WQSNVAQQGYDBEG-ZIAGYGMSSA-N 2 2 328.526 1.548 20 0 EDADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000248423341 442890310 /nfs/dbraw/zinc/89/03/10/442890310.db2.gz GBKIWGBNOKIPIL-BZSNNMDCSA-N 2 2 335.492 1.502 20 0 EDADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCC[NH+](C4CC4)CC3)cc2C1 ZINC000194698781 442938425 /nfs/dbraw/zinc/93/84/25/442938425.db2.gz MPARAKZOUIENQH-UHFFFAOYSA-N 2 2 342.443 1.267 20 0 EDADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCC[NH+](C4CC4)CC3)cc2C1 ZINC000194698781 442938431 /nfs/dbraw/zinc/93/84/31/442938431.db2.gz MPARAKZOUIENQH-UHFFFAOYSA-N 2 2 342.443 1.267 20 0 EDADLP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CCC[N@@H+](C4CC4)CC3)cc2C1 ZINC000194698781 442938436 /nfs/dbraw/zinc/93/84/36/442938436.db2.gz MPARAKZOUIENQH-UHFFFAOYSA-N 2 2 342.443 1.267 20 0 EDADLP C[NH+]1Cc2ccc(NC(=O)C(=O)N3CCC[N@H+](C4CC4)CC3)cc2C1 ZINC000194698781 442938439 /nfs/dbraw/zinc/93/84/39/442938439.db2.gz MPARAKZOUIENQH-UHFFFAOYSA-N 2 2 342.443 1.267 20 0 EDADLP C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000265876768 442954266 /nfs/dbraw/zinc/95/42/66/442954266.db2.gz ZXYCEJPKGTYBRR-KRWDZBQOSA-N 2 2 331.460 1.685 20 0 EDADLP CCN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183762866 442961901 /nfs/dbraw/zinc/96/19/01/442961901.db2.gz YLLJDYRHTUZVHZ-WOJBJXKFSA-N 2 2 347.503 1.276 20 0 EDADLP CCN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183762866 442961902 /nfs/dbraw/zinc/96/19/02/442961902.db2.gz YLLJDYRHTUZVHZ-WOJBJXKFSA-N 2 2 347.503 1.276 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1 ZINC000249364726 442968647 /nfs/dbraw/zinc/96/86/47/442968647.db2.gz MGTFHALSGLHSIH-FUHWJXTLSA-N 2 2 347.503 1.983 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1 ZINC000249364726 442968650 /nfs/dbraw/zinc/96/86/50/442968650.db2.gz MGTFHALSGLHSIH-FUHWJXTLSA-N 2 2 347.503 1.983 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1 ZINC000249364726 442968654 /nfs/dbraw/zinc/96/86/54/442968654.db2.gz MGTFHALSGLHSIH-FUHWJXTLSA-N 2 2 347.503 1.983 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1 ZINC000249364726 442968655 /nfs/dbraw/zinc/96/86/55/442968655.db2.gz MGTFHALSGLHSIH-FUHWJXTLSA-N 2 2 347.503 1.983 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000194940814 442970262 /nfs/dbraw/zinc/97/02/62/442970262.db2.gz KLJLWYASINXDOM-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H]1[NH+](C)C ZINC000268424275 442984558 /nfs/dbraw/zinc/98/45/58/442984558.db2.gz XBSMPVZMKSFIBC-ZBFHGGJFSA-N 2 2 331.464 1.773 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266034578 442996812 /nfs/dbraw/zinc/99/68/12/442996812.db2.gz SWNAHQOYLQQQTP-RBUKOAKNSA-N 2 2 348.487 1.697 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266034578 442996815 /nfs/dbraw/zinc/99/68/15/442996815.db2.gz SWNAHQOYLQQQTP-RBUKOAKNSA-N 2 2 348.487 1.697 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000184392990 443017634 /nfs/dbraw/zinc/01/76/34/443017634.db2.gz WJJRZMYTEZTIND-KRWDZBQOSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000184392990 443017637 /nfs/dbraw/zinc/01/76/37/443017637.db2.gz WJJRZMYTEZTIND-KRWDZBQOSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000184392990 443017640 /nfs/dbraw/zinc/01/76/40/443017640.db2.gz WJJRZMYTEZTIND-KRWDZBQOSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000184392990 443017643 /nfs/dbraw/zinc/01/76/43/443017643.db2.gz WJJRZMYTEZTIND-KRWDZBQOSA-N 2 2 332.492 1.261 20 0 EDADLP CC[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000266240579 443070423 /nfs/dbraw/zinc/07/04/23/443070423.db2.gz MIUZQWGYMHPEIE-UHFFFAOYSA-N 2 2 330.476 1.212 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000298202769 318799848 /nfs/dbraw/zinc/79/98/48/318799848.db2.gz HNGZRROGJLSBIA-HIFRSBDPSA-N 2 2 326.462 1.197 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[N@@H+](C)C3CCCC3)CC2)cc[nH+]1 ZINC000184984319 443110987 /nfs/dbraw/zinc/11/09/87/443110987.db2.gz DMYQJAPKVUJVOS-UHFFFAOYSA-N 2 2 346.479 1.491 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[N@H+](C)C3CCCC3)CC2)cc[nH+]1 ZINC000184984319 443110990 /nfs/dbraw/zinc/11/09/90/443110990.db2.gz DMYQJAPKVUJVOS-UHFFFAOYSA-N 2 2 346.479 1.491 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCC2=O)cc1 ZINC000268866415 443130940 /nfs/dbraw/zinc/13/09/40/443130940.db2.gz FNQGGMIFZACZQM-YJBOKZPZSA-N 2 2 330.476 1.710 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCC2=O)cc1 ZINC000268866415 443130942 /nfs/dbraw/zinc/13/09/42/443130942.db2.gz FNQGGMIFZACZQM-YJBOKZPZSA-N 2 2 330.476 1.710 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C[NH2+]C3CC3)CC2)cc(OC)c1 ZINC000237301878 443168078 /nfs/dbraw/zinc/16/80/78/443168078.db2.gz WSDASCVDRALKPF-UHFFFAOYSA-N 2 2 333.432 1.100 20 0 EDADLP [NH3+]CCCOC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000237853461 443184749 /nfs/dbraw/zinc/18/47/49/443184749.db2.gz LLVPTGMTTMMYCJ-UHFFFAOYSA-N 2 2 328.416 1.842 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299355608 318896664 /nfs/dbraw/zinc/89/66/64/318896664.db2.gz IUYRNHZDWUVXKD-SJLPKXTDSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cc12 ZINC000261468056 443159958 /nfs/dbraw/zinc/15/99/58/443159958.db2.gz WGODOJOEDXJKDX-QGZVFWFLSA-N 2 2 342.491 1.489 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cc12 ZINC000261468056 443159960 /nfs/dbraw/zinc/15/99/60/443159960.db2.gz WGODOJOEDXJKDX-QGZVFWFLSA-N 2 2 342.491 1.489 20 0 EDADLP COc1ccnc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1OC ZINC000190989592 443220433 /nfs/dbraw/zinc/22/04/33/443220433.db2.gz BEISINHJYWMELU-UHFFFAOYSA-N 2 2 336.480 1.557 20 0 EDADLP COc1ccnc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1OC ZINC000190989592 443220438 /nfs/dbraw/zinc/22/04/38/443220438.db2.gz BEISINHJYWMELU-UHFFFAOYSA-N 2 2 336.480 1.557 20 0 EDADLP CC(C)(CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000263093536 443224186 /nfs/dbraw/zinc/22/41/86/443224186.db2.gz YSCOHGLUACOIAQ-OAHLLOKOSA-N 2 2 337.414 1.937 20 0 EDADLP CC(C)(CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000263093536 443224190 /nfs/dbraw/zinc/22/41/90/443224190.db2.gz YSCOHGLUACOIAQ-OAHLLOKOSA-N 2 2 337.414 1.937 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245447052 443228988 /nfs/dbraw/zinc/22/89/88/443228988.db2.gz LSRDIFUMGYIUHZ-RHSMWYFYSA-N 2 2 346.475 1.919 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245447052 443228990 /nfs/dbraw/zinc/22/89/90/443228990.db2.gz LSRDIFUMGYIUHZ-RHSMWYFYSA-N 2 2 346.475 1.919 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245447052 443228991 /nfs/dbraw/zinc/22/89/91/443228991.db2.gz LSRDIFUMGYIUHZ-RHSMWYFYSA-N 2 2 346.475 1.919 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245447052 443228995 /nfs/dbraw/zinc/22/89/95/443228995.db2.gz LSRDIFUMGYIUHZ-RHSMWYFYSA-N 2 2 346.475 1.919 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000266752411 443229814 /nfs/dbraw/zinc/22/98/14/443229814.db2.gz CZNSPQBIJDXVID-DZGCQCFKSA-N 2 2 335.448 1.694 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000266752411 443229816 /nfs/dbraw/zinc/22/98/16/443229816.db2.gz CZNSPQBIJDXVID-DZGCQCFKSA-N 2 2 335.448 1.694 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264225035 443256087 /nfs/dbraw/zinc/25/60/87/443256087.db2.gz LAIDIXNSMLPAEX-WMZOPIPTSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264225035 443256090 /nfs/dbraw/zinc/25/60/90/443256090.db2.gz LAIDIXNSMLPAEX-WMZOPIPTSA-N 2 2 331.460 1.395 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687873 319342369 /nfs/dbraw/zinc/34/23/69/319342369.db2.gz CPAXWOBWFDDDFZ-PBHICJAKSA-N 2 2 333.432 1.030 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687873 319342371 /nfs/dbraw/zinc/34/23/71/319342371.db2.gz CPAXWOBWFDDDFZ-PBHICJAKSA-N 2 2 333.432 1.030 20 0 EDADLP Oc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000414777498 319344219 /nfs/dbraw/zinc/34/42/19/319344219.db2.gz XVXHTJSOPZYRJM-CYBMUJFWSA-N 2 2 340.265 1.634 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000415085200 319346440 /nfs/dbraw/zinc/34/64/40/319346440.db2.gz QMOKAMISNBUEPG-HNNXBMFYSA-N 3 2 345.422 1.298 20 0 EDADLP COCC1=CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000185872555 443273508 /nfs/dbraw/zinc/27/35/08/443273508.db2.gz FTOVXGYIXASQKF-INIZCTEOSA-N 2 2 344.459 1.397 20 0 EDADLP COCC1=CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000185872555 443273510 /nfs/dbraw/zinc/27/35/10/443273510.db2.gz FTOVXGYIXASQKF-INIZCTEOSA-N 2 2 344.459 1.397 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cn1 ZINC000266931795 443294709 /nfs/dbraw/zinc/29/47/09/443294709.db2.gz OVEQVRQOMSNLGX-UKRRQHHQSA-N 2 2 328.420 1.518 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)cn1 ZINC000266931795 443294711 /nfs/dbraw/zinc/29/47/11/443294711.db2.gz OVEQVRQOMSNLGX-UKRRQHHQSA-N 2 2 328.420 1.518 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000266927904 443293104 /nfs/dbraw/zinc/29/31/04/443293104.db2.gz XZLFHKYZENPHNA-SJORKVTESA-N 2 2 333.476 1.591 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000266927904 443293107 /nfs/dbraw/zinc/29/31/07/443293107.db2.gz XZLFHKYZENPHNA-SJORKVTESA-N 2 2 333.476 1.591 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000266952462 443301162 /nfs/dbraw/zinc/30/11/62/443301162.db2.gz XXLGPEWFGXZGDN-IKGGRYGDSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000266952462 443301164 /nfs/dbraw/zinc/30/11/64/443301164.db2.gz XXLGPEWFGXZGDN-IKGGRYGDSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000266952462 443301169 /nfs/dbraw/zinc/30/11/69/443301169.db2.gz XXLGPEWFGXZGDN-IKGGRYGDSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000266952462 443301171 /nfs/dbraw/zinc/30/11/71/443301171.db2.gz XXLGPEWFGXZGDN-IKGGRYGDSA-N 2 2 333.476 1.420 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416906110 319471374 /nfs/dbraw/zinc/47/13/74/319471374.db2.gz GVKUGXZSCFYLSB-GJZGRUSLSA-N 2 2 333.411 1.931 20 0 EDADLP COC[C@]1(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[NH2+]1 ZINC000416934050 319478112 /nfs/dbraw/zinc/47/81/12/319478112.db2.gz CMRWZXYKCMLSPB-GOSISDBHSA-N 2 2 347.463 1.250 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)o1 ZINC000278649593 443391002 /nfs/dbraw/zinc/39/10/02/443391002.db2.gz IAEQGXVRIVPYMR-GDBMZVCRSA-N 2 2 335.448 1.480 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(OCCO)CCOCC1 ZINC000282541637 443369252 /nfs/dbraw/zinc/36/92/52/443369252.db2.gz CENBYZJCSNBJNV-IEBWSBKVSA-N 2 2 348.487 1.655 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(OCCO)CCOCC1 ZINC000282541637 443369258 /nfs/dbraw/zinc/36/92/58/443369258.db2.gz CENBYZJCSNBJNV-IEBWSBKVSA-N 2 2 348.487 1.655 20 0 EDADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1nc(=O)[nH][nH]1)CC2 ZINC000282723240 443416949 /nfs/dbraw/zinc/41/69/49/443416949.db2.gz CCHUQFWGFPPANT-LLVKDONJSA-N 2 2 334.449 1.041 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1nc(=O)[nH][nH]1)CC2 ZINC000282723240 443416955 /nfs/dbraw/zinc/41/69/55/443416955.db2.gz CCHUQFWGFPPANT-LLVKDONJSA-N 2 2 334.449 1.041 20 0 EDADLP CSc1cc2c(cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C)OCCO2 ZINC000269801155 443446815 /nfs/dbraw/zinc/44/68/15/443446815.db2.gz JNLFXHRFERNWNB-MRXNPFEDSA-N 2 2 326.462 1.582 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000264864022 443458743 /nfs/dbraw/zinc/45/87/43/443458743.db2.gz OFACJGQBFFBQKM-UHFFFAOYSA-N 2 2 349.504 1.530 20 0 EDADLP C[N@H+](CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000264865069 443458800 /nfs/dbraw/zinc/45/88/00/443458800.db2.gz OFVSSBPRUZBHHD-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP C[N@@H+](CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CC1 ZINC000264865069 443458802 /nfs/dbraw/zinc/45/88/02/443458802.db2.gz OFVSSBPRUZBHHD-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423018178 319746208 /nfs/dbraw/zinc/74/62/08/319746208.db2.gz YGOYSVYZEDZZMC-NWDGAFQWSA-N 2 2 333.354 1.836 20 0 EDADLP C[NH2+]CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423198027 319756024 /nfs/dbraw/zinc/75/60/24/319756024.db2.gz COWBHSDPUTVMHF-QMMMGPOBSA-N 2 2 340.276 1.901 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)[NH+](C)C ZINC000423305511 319762506 /nfs/dbraw/zinc/76/25/06/319762506.db2.gz KNJZUDACMQAJBE-DZGCQCFKSA-N 2 2 334.445 1.571 20 0 EDADLP CC(C)([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423749326 319810218 /nfs/dbraw/zinc/81/02/18/319810218.db2.gz RNPINMSAAZROME-UHFFFAOYSA-N 2 2 335.839 1.369 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)n1C ZINC000265152831 443551676 /nfs/dbraw/zinc/55/16/76/443551676.db2.gz ZGBNXROQQVZQHY-INIZCTEOSA-N 2 2 329.448 1.275 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000283511561 443650178 /nfs/dbraw/zinc/65/01/78/443650178.db2.gz OCTNJFSEQZRGJV-MRXNPFEDSA-N 2 2 348.491 1.476 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000283511561 443650180 /nfs/dbraw/zinc/65/01/80/443650180.db2.gz OCTNJFSEQZRGJV-MRXNPFEDSA-N 2 2 348.491 1.476 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000279924333 443643017 /nfs/dbraw/zinc/64/30/17/443643017.db2.gz MZFSWWIFPHJGPP-GJZGRUSLSA-N 2 2 336.386 1.967 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)C(=O)NCC[NH+]2CCC2)ccc1Cl ZINC000440052294 320059805 /nfs/dbraw/zinc/05/98/05/320059805.db2.gz OSWZTKGMYAFUHZ-UHFFFAOYSA-N 2 2 338.839 1.162 20 0 EDADLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(-c2cccnc2)n1 ZINC000449393969 320187659 /nfs/dbraw/zinc/18/76/59/320187659.db2.gz NHVVECFPVYVAHU-KRWDZBQOSA-N 2 2 329.448 1.419 20 0 EDADLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(-c2cccnc2)n1 ZINC000449393969 320187661 /nfs/dbraw/zinc/18/76/61/320187661.db2.gz NHVVECFPVYVAHU-KRWDZBQOSA-N 2 2 329.448 1.419 20 0 EDADLP COCC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCC1 ZINC000458602762 320338090 /nfs/dbraw/zinc/33/80/90/320338090.db2.gz TXTRZFNXMIONAM-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP COCC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H]1CCOC1 ZINC000490050618 320362806 /nfs/dbraw/zinc/36/28/06/320362806.db2.gz QSQDYHBDIWMEHE-IRXDYDNUSA-N 2 2 347.459 1.751 20 0 EDADLP COCC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H]1CCOC1 ZINC000490050618 320362807 /nfs/dbraw/zinc/36/28/07/320362807.db2.gz QSQDYHBDIWMEHE-IRXDYDNUSA-N 2 2 347.459 1.751 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000492135288 320376442 /nfs/dbraw/zinc/37/64/42/320376442.db2.gz VIKJEOMFRZXJBJ-QZTJIDSGSA-N 2 2 348.491 1.699 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000492135288 320376443 /nfs/dbraw/zinc/37/64/43/320376443.db2.gz VIKJEOMFRZXJBJ-QZTJIDSGSA-N 2 2 348.491 1.699 20 0 EDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnn[nH]2)CC1 ZINC000283673644 443687909 /nfs/dbraw/zinc/68/79/09/443687909.db2.gz FDTSPQOGPBIZGY-ZDUSSCGKSA-N 2 2 332.427 1.937 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000515070621 320431252 /nfs/dbraw/zinc/43/12/52/320431252.db2.gz HPNAUJGUHXGONT-UHFFFAOYSA-N 2 2 333.480 1.023 20 0 EDADLP O=C1COc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2N1 ZINC000276431335 443703326 /nfs/dbraw/zinc/70/33/26/443703326.db2.gz ITDALJHSWCQNRW-OAHLLOKOSA-N 2 2 331.416 1.172 20 0 EDADLP O=C1COc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2N1 ZINC000276431335 443703327 /nfs/dbraw/zinc/70/33/27/443703327.db2.gz ITDALJHSWCQNRW-OAHLLOKOSA-N 2 2 331.416 1.172 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cccc3cccnc32)C[C@@H](C)O1 ZINC000517555972 320450200 /nfs/dbraw/zinc/45/02/00/320450200.db2.gz DSSKDBLPKZWOJG-RKVPGOIHSA-N 2 2 329.444 1.795 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)cc1 ZINC000520248159 320476132 /nfs/dbraw/zinc/47/61/32/320476132.db2.gz RIGHMZDYAFBMQD-QGZVFWFLSA-N 2 2 336.476 1.560 20 0 EDADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000298245328 443729080 /nfs/dbraw/zinc/72/90/80/443729080.db2.gz CXLMZNBXQYJFLG-CQSZACIVSA-N 2 2 333.505 1.917 20 0 EDADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000298245328 443729082 /nfs/dbraw/zinc/72/90/82/443729082.db2.gz CXLMZNBXQYJFLG-CQSZACIVSA-N 2 2 333.505 1.917 20 0 EDADLP CC(C)(C[NH2+]Cc1cn(Cc2cccnc2)nn1)C[NH+]1CCCC1 ZINC000276691088 443793091 /nfs/dbraw/zinc/79/30/91/443793091.db2.gz KOYFWBMCWDZUCK-UHFFFAOYSA-N 2 2 328.464 1.933 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1nc[nH+]c(N)c1Cl ZINC000285031192 443830036 /nfs/dbraw/zinc/83/00/36/443830036.db2.gz VNYXAZBCTLQLQT-SMDDNHRTSA-N 2 2 349.870 1.965 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1nc[nH+]c(N)c1Cl ZINC000285031192 443830042 /nfs/dbraw/zinc/83/00/42/443830042.db2.gz VNYXAZBCTLQLQT-SMDDNHRTSA-N 2 2 349.870 1.965 20 0 EDADLP COCc1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530240016 320616735 /nfs/dbraw/zinc/61/67/35/320616735.db2.gz JQANFPRSCHHCCJ-HNNXBMFYSA-N 2 2 325.478 1.880 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000298582620 443806415 /nfs/dbraw/zinc/80/64/15/443806415.db2.gz XXKZKABZADBSOE-UHFFFAOYSA-N 2 2 342.487 1.552 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292984446 443895797 /nfs/dbraw/zinc/89/57/97/443895797.db2.gz MJFLNLCMCWCCJL-CQSZACIVSA-N 2 2 343.422 1.181 20 0 EDADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285319815 443940864 /nfs/dbraw/zinc/94/08/64/443940864.db2.gz NPPPTXMRXYBCPP-FUHWJXTLSA-N 2 2 330.476 1.313 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1ccncc1 ZINC000299081500 443948791 /nfs/dbraw/zinc/94/87/91/443948791.db2.gz LXTFLDZSFLDGON-UHFFFAOYSA-N 2 2 336.505 1.658 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1ccncc1 ZINC000299081500 443948797 /nfs/dbraw/zinc/94/87/97/443948797.db2.gz LXTFLDZSFLDGON-UHFFFAOYSA-N 2 2 336.505 1.658 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288503363 443901686 /nfs/dbraw/zinc/90/16/86/443901686.db2.gz MPBFHLOJNGMTEE-OAHLLOKOSA-N 2 2 344.459 1.562 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281473978 443921318 /nfs/dbraw/zinc/92/13/18/443921318.db2.gz WDMMAIYNFCMSRQ-UHFFFAOYSA-N 2 2 333.476 1.908 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281473978 443921324 /nfs/dbraw/zinc/92/13/24/443921324.db2.gz WDMMAIYNFCMSRQ-UHFFFAOYSA-N 2 2 333.476 1.908 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285482329 444001405 /nfs/dbraw/zinc/00/14/05/444001405.db2.gz BQDYJUALODMOFX-AWEZNQCLSA-N 2 2 338.452 1.656 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285482329 444001408 /nfs/dbraw/zinc/00/14/08/444001408.db2.gz BQDYJUALODMOFX-AWEZNQCLSA-N 2 2 338.452 1.656 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285482329 444001410 /nfs/dbraw/zinc/00/14/10/444001410.db2.gz BQDYJUALODMOFX-AWEZNQCLSA-N 2 2 338.452 1.656 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285482329 444001414 /nfs/dbraw/zinc/00/14/14/444001414.db2.gz BQDYJUALODMOFX-AWEZNQCLSA-N 2 2 338.452 1.656 20 0 EDADLP COc1ccc2c(c1)[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC2 ZINC000277722046 444031893 /nfs/dbraw/zinc/03/18/93/444031893.db2.gz SFGFKKSBGZQGTO-SFHVURJKSA-N 2 2 345.487 1.867 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC[C@H]21 ZINC000557384669 321003625 /nfs/dbraw/zinc/00/36/25/321003625.db2.gz BWJHHDHIEOXDCC-DZGCQCFKSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC[C@H]21 ZINC000557384669 321003626 /nfs/dbraw/zinc/00/36/26/321003626.db2.gz BWJHHDHIEOXDCC-DZGCQCFKSA-N 2 2 341.415 1.216 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[NH+](C)C)c1 ZINC000561063424 321032117 /nfs/dbraw/zinc/03/21/17/321032117.db2.gz XYJPLMSWAPOZSE-YJBOKZPZSA-N 2 2 342.443 1.873 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000562818066 321078853 /nfs/dbraw/zinc/07/88/53/321078853.db2.gz ZZLQUIIYXNIHFZ-WMZOPIPTSA-N 2 2 346.475 1.391 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CC(=O)N(C(C)C)C3)c2cc1C ZINC000562988136 321085438 /nfs/dbraw/zinc/08/54/38/321085438.db2.gz UEOQBWVGFUIHLC-JKSUJKDBSA-N 2 2 344.459 1.613 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000563091681 321094425 /nfs/dbraw/zinc/09/44/25/321094425.db2.gz CZKOXIIYMWHSEG-UHFFFAOYSA-N 2 2 327.432 1.720 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC000564393696 321128933 /nfs/dbraw/zinc/12/89/33/321128933.db2.gz OQJCVQSUEVBUGP-LJQANCHMSA-N 2 2 343.475 1.788 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000564485156 321134615 /nfs/dbraw/zinc/13/46/15/321134615.db2.gz XZVWWMIDWAMQDP-JKSUJKDBSA-N 2 2 348.495 1.672 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000564485156 321134616 /nfs/dbraw/zinc/13/46/16/321134616.db2.gz XZVWWMIDWAMQDP-JKSUJKDBSA-N 2 2 348.495 1.672 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000565252141 321180052 /nfs/dbraw/zinc/18/00/52/321180052.db2.gz ATPOWSQACWQUEC-DLBZAZTESA-N 2 2 332.448 1.029 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1ccn(C)n1)[C@H]1CC12CC[NH2+]CC2 ZINC000565597833 321192586 /nfs/dbraw/zinc/19/25/86/321192586.db2.gz MFDBBXUEANZHLL-INIZCTEOSA-N 2 2 328.464 1.781 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000565610025 321194192 /nfs/dbraw/zinc/19/41/92/321194192.db2.gz YBJSKRWWJFPVMQ-SJLPKXTDSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000565610025 321194193 /nfs/dbraw/zinc/19/41/93/321194193.db2.gz YBJSKRWWJFPVMQ-SJLPKXTDSA-N 2 2 345.487 1.734 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000565676302 321197255 /nfs/dbraw/zinc/19/72/55/321197255.db2.gz VCTWZYOZONDKII-HOCLYGCPSA-N 2 2 347.463 1.235 20 0 EDADLP [NH3+]C1(CNC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCC1 ZINC000565940860 321207488 /nfs/dbraw/zinc/20/74/88/321207488.db2.gz AYCBPWZCQARNIQ-UHFFFAOYSA-N 2 2 342.447 1.043 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000567475847 321243427 /nfs/dbraw/zinc/24/34/27/321243427.db2.gz ASBFKEMEONABQF-HNNXBMFYSA-N 2 2 331.464 1.871 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](O)Cc1ccccc1 ZINC000567872564 321263641 /nfs/dbraw/zinc/26/36/41/321263641.db2.gz BDVBKGOZXNGCFM-DARIXABFSA-N 2 2 336.476 1.038 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](O)Cc1ccccc1 ZINC000567872564 321263643 /nfs/dbraw/zinc/26/36/43/321263643.db2.gz BDVBKGOZXNGCFM-DARIXABFSA-N 2 2 336.476 1.038 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1Cc1ccccc1 ZINC000567976618 321270294 /nfs/dbraw/zinc/27/02/94/321270294.db2.gz PWNXDHMVXMZILT-HKUYNNGSSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1Cc1ccccc1 ZINC000567976618 321270296 /nfs/dbraw/zinc/27/02/96/321270296.db2.gz PWNXDHMVXMZILT-HKUYNNGSSA-N 2 2 338.455 1.831 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH+]1CCOCC1 ZINC000568187107 321279387 /nfs/dbraw/zinc/27/93/87/321279387.db2.gz VUGKCHRCBALEGO-YOEHRIQHSA-N 2 2 336.480 1.842 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000568187107 321279388 /nfs/dbraw/zinc/27/93/88/321279388.db2.gz VUGKCHRCBALEGO-YOEHRIQHSA-N 2 2 336.480 1.842 20 0 EDADLP CC1CCN(c2ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)cn2)CC1 ZINC000568500695 321294419 /nfs/dbraw/zinc/29/44/19/321294419.db2.gz AZODNCNDEDEKFN-GOSISDBHSA-N 2 2 332.492 1.863 20 0 EDADLP CC1CCN(c2ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)cn2)CC1 ZINC000568500695 321294420 /nfs/dbraw/zinc/29/44/20/321294420.db2.gz AZODNCNDEDEKFN-GOSISDBHSA-N 2 2 332.492 1.863 20 0 EDADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 ZINC000569495718 321328326 /nfs/dbraw/zinc/32/83/26/321328326.db2.gz LAUGLOZMUPLDEP-DLBZAZTESA-N 2 2 329.444 1.288 20 0 EDADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 ZINC000569495718 321328328 /nfs/dbraw/zinc/32/83/28/321328328.db2.gz LAUGLOZMUPLDEP-DLBZAZTESA-N 2 2 329.444 1.288 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570544865 321346699 /nfs/dbraw/zinc/34/66/99/321346699.db2.gz OJSYYSJBWOOHID-ROUUACIJSA-N 3 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570544865 321346701 /nfs/dbraw/zinc/34/67/01/321346701.db2.gz OJSYYSJBWOOHID-ROUUACIJSA-N 3 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1ccnc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570544865 321346702 /nfs/dbraw/zinc/34/67/02/321346702.db2.gz OJSYYSJBWOOHID-ROUUACIJSA-N 2 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1ccnc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570544865 321346704 /nfs/dbraw/zinc/34/67/04/321346704.db2.gz OJSYYSJBWOOHID-ROUUACIJSA-N 2 2 347.507 1.679 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000570925486 321363542 /nfs/dbraw/zinc/36/35/42/321363542.db2.gz BRIYLILVFHICOO-LRDDRELGSA-N 2 2 345.472 1.880 20 0 EDADLP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000571088818 321370562 /nfs/dbraw/zinc/37/05/62/321370562.db2.gz UQZZTLBSOPKIQI-QGZVFWFLSA-N 2 2 333.867 1.909 20 0 EDADLP Cc1nn(-c2ccc(Cl)cc2)cc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000571088818 321370564 /nfs/dbraw/zinc/37/05/64/321370564.db2.gz UQZZTLBSOPKIQI-QGZVFWFLSA-N 2 2 333.867 1.909 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000278227043 444120186 /nfs/dbraw/zinc/12/01/86/444120186.db2.gz JRKGDCHGEULTBO-QGZVFWFLSA-N 2 2 328.464 1.510 20 0 EDADLP CC(C)[NH+]1CCC([N@H+](C)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000299643952 444104308 /nfs/dbraw/zinc/10/43/08/444104308.db2.gz YOLVQTVSUMVKOS-UHFFFAOYSA-N 2 2 339.505 1.770 20 0 EDADLP CC(C)[NH+]1CCC([N@@H+](C)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000299643952 444104312 /nfs/dbraw/zinc/10/43/12/444104312.db2.gz YOLVQTVSUMVKOS-UHFFFAOYSA-N 2 2 339.505 1.770 20 0 EDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)C[NH+]2CCN(C)CC2)C1 ZINC000571515965 321389895 /nfs/dbraw/zinc/38/98/95/321389895.db2.gz FBCXXHWDYSCZBJ-ZWKOTPCHSA-N 2 2 340.556 1.085 20 0 EDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)C[NH+]2CCN(C)CC2)C1 ZINC000571515965 321389896 /nfs/dbraw/zinc/38/98/96/321389896.db2.gz FBCXXHWDYSCZBJ-ZWKOTPCHSA-N 2 2 340.556 1.085 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c[nH+]2)CC1 ZINC000571893224 321405980 /nfs/dbraw/zinc/40/59/80/321405980.db2.gz ROVZXJCFCOSWAF-QLPKVWCKSA-N 2 2 329.448 1.335 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)n1C ZINC000572264974 321423638 /nfs/dbraw/zinc/42/36/38/321423638.db2.gz PFFIEATWOXXTQG-MRXNPFEDSA-N 2 2 333.480 1.899 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000285894853 444144553 /nfs/dbraw/zinc/14/45/53/444144553.db2.gz HFUXNDLJCWMSKK-JYJNAYRXSA-N 2 2 349.479 1.139 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000285894853 444144556 /nfs/dbraw/zinc/14/45/56/444144556.db2.gz HFUXNDLJCWMSKK-JYJNAYRXSA-N 2 2 349.479 1.139 20 0 EDADLP CC(C)[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[NH+]1CCOCC1 ZINC000301152360 444149516 /nfs/dbraw/zinc/14/95/16/444149516.db2.gz BEJHKQUTTWUXBW-JKSUJKDBSA-N 2 2 349.479 1.206 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000299731801 444127165 /nfs/dbraw/zinc/12/71/65/444127165.db2.gz XJUKXXAWJDJHJB-MRXNPFEDSA-N 2 2 325.416 1.496 20 0 EDADLP CN(C)c1nccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000302206334 444208563 /nfs/dbraw/zinc/20/85/63/444208563.db2.gz WKZLZSGINVCFSY-XYPWUTKMSA-N 2 2 330.480 1.290 20 0 EDADLP CN(C)c1nccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000302206334 444208566 /nfs/dbraw/zinc/20/85/66/444208566.db2.gz WKZLZSGINVCFSY-XYPWUTKMSA-N 2 2 330.480 1.290 20 0 EDADLP COc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1O ZINC000289913112 444218653 /nfs/dbraw/zinc/21/86/53/444218653.db2.gz VEGPGSBRELGNHW-UHFFFAOYSA-N 2 2 347.459 1.387 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000289600074 444179512 /nfs/dbraw/zinc/17/95/12/444179512.db2.gz BOMHMBLZKGPITH-OTWHNJEPSA-N 2 2 345.487 1.638 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000289600074 444179515 /nfs/dbraw/zinc/17/95/15/444179515.db2.gz BOMHMBLZKGPITH-OTWHNJEPSA-N 2 2 345.487 1.638 20 0 EDADLP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](C)S(C)(=O)=O)CC2)oc1C ZINC000575861713 321531032 /nfs/dbraw/zinc/53/10/32/321531032.db2.gz GQARLCFFIKPLRM-GFCCVEGCSA-N 2 2 343.493 1.526 20 0 EDADLP CC(C)C[C@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)[NH+]1CCOCC1 ZINC000301629019 444182941 /nfs/dbraw/zinc/18/29/41/444182941.db2.gz HXVMCLYZDBCQRO-CQSZACIVSA-N 2 2 345.451 1.403 20 0 EDADLP C[C@H]1CCCN(c2cc(NC[C@@](C)(O)C[NH+]3CCOCC3)[nH+]cn2)C1 ZINC000301783225 444190303 /nfs/dbraw/zinc/19/03/03/444190303.db2.gz UCAZCRXSCDSUHP-MAUKXSAKSA-N 2 2 349.479 1.208 20 0 EDADLP C[C@H]1CCC[N@H+](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302099676 444203997 /nfs/dbraw/zinc/20/39/97/444203997.db2.gz KXPHFXYHTHLGHF-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302099676 444204000 /nfs/dbraw/zinc/20/40/00/444204000.db2.gz KXPHFXYHTHLGHF-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[NH+](CC3CC3)CC2)nc[nH+]1 ZINC000302115540 444204593 /nfs/dbraw/zinc/20/45/93/444204593.db2.gz RKGOZLJKSQVNOS-INIZCTEOSA-N 2 2 331.464 1.360 20 0 EDADLP COc1cc2c(c(C[N@H+](CCO)C3CC[NH+](C)CC3)c1)O[C@@H](C)C2 ZINC000305161681 444261879 /nfs/dbraw/zinc/26/18/79/444261879.db2.gz BUOMXJFSOUCVFC-AWEZNQCLSA-N 2 2 334.460 1.907 20 0 EDADLP COc1cc2c(c(C[N@@H+](CCO)C3CC[NH+](C)CC3)c1)O[C@@H](C)C2 ZINC000305161681 444261881 /nfs/dbraw/zinc/26/18/81/444261881.db2.gz BUOMXJFSOUCVFC-AWEZNQCLSA-N 2 2 334.460 1.907 20 0 EDADLP OC1(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CCOCC1 ZINC000305225920 444266277 /nfs/dbraw/zinc/26/62/77/444266277.db2.gz YRZDWOFYFUKWFE-UHFFFAOYSA-N 2 2 326.481 1.400 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC[NH+]1CCC(O)CC1 ZINC000297016839 444268313 /nfs/dbraw/zinc/26/83/13/444268313.db2.gz RIEJIUIZRUYEJO-UHFFFAOYSA-N 2 2 330.432 1.172 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000290358402 444271519 /nfs/dbraw/zinc/27/15/19/444271519.db2.gz LIHSINPQULWDQV-HZPDHXFCSA-N 2 2 327.432 1.950 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)CCO1 ZINC000302782867 444224320 /nfs/dbraw/zinc/22/43/20/444224320.db2.gz KSVWWLZYLWCUIN-HNNXBMFYSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)CCO1 ZINC000302782867 444224323 /nfs/dbraw/zinc/22/43/23/444224323.db2.gz KSVWWLZYLWCUIN-HNNXBMFYSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)CCO1 ZINC000302782867 444224326 /nfs/dbraw/zinc/22/43/26/444224326.db2.gz KSVWWLZYLWCUIN-HNNXBMFYSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)CCO1 ZINC000302782867 444224328 /nfs/dbraw/zinc/22/43/28/444224328.db2.gz KSVWWLZYLWCUIN-HNNXBMFYSA-N 2 2 331.464 1.766 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000577637981 321670042 /nfs/dbraw/zinc/67/00/42/321670042.db2.gz KXIHTZXPJDENHP-OAHLLOKOSA-N 2 2 348.516 1.923 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000310396165 444291683 /nfs/dbraw/zinc/29/16/83/444291683.db2.gz SOOHFIVELSOBEF-ISARSNTHSA-N 2 2 336.476 1.651 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000310396165 444291685 /nfs/dbraw/zinc/29/16/85/444291685.db2.gz SOOHFIVELSOBEF-ISARSNTHSA-N 2 2 336.476 1.651 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N1CCOCC1 ZINC000311051725 444293112 /nfs/dbraw/zinc/29/31/12/444293112.db2.gz QVQZDDLDPVLDAN-MOPGFXCFSA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)N1CCOCC1 ZINC000311051725 444293115 /nfs/dbraw/zinc/29/31/15/444293115.db2.gz QVQZDDLDPVLDAN-MOPGFXCFSA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N1CCOCC1 ZINC000311051725 444293118 /nfs/dbraw/zinc/29/31/18/444293118.db2.gz QVQZDDLDPVLDAN-MOPGFXCFSA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N1CCOCC1 ZINC000311051725 444293119 /nfs/dbraw/zinc/29/31/19/444293119.db2.gz QVQZDDLDPVLDAN-MOPGFXCFSA-N 2 2 343.471 1.299 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297540768 444298691 /nfs/dbraw/zinc/29/86/91/444298691.db2.gz ORYXSAYTCBFVEB-YOEHRIQHSA-N 2 2 343.431 1.339 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328798372 444356996 /nfs/dbraw/zinc/35/69/96/444356996.db2.gz WRLHLHQZNBSWFJ-IIDMSEBBSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328798372 444357001 /nfs/dbraw/zinc/35/70/01/444357001.db2.gz WRLHLHQZNBSWFJ-IIDMSEBBSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328798372 444357005 /nfs/dbraw/zinc/35/70/05/444357005.db2.gz WRLHLHQZNBSWFJ-IIDMSEBBSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328798372 444357009 /nfs/dbraw/zinc/35/70/09/444357009.db2.gz WRLHLHQZNBSWFJ-IIDMSEBBSA-N 2 2 336.480 1.566 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000324740166 444357902 /nfs/dbraw/zinc/35/79/02/444357902.db2.gz MWFKMTKJLXQSJY-MRXNPFEDSA-N 2 2 331.460 1.525 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000326106726 444372702 /nfs/dbraw/zinc/37/27/02/444372702.db2.gz ZDPPLHXQWYQBMQ-HNNXBMFYSA-N 2 2 332.448 1.314 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000320589359 444330783 /nfs/dbraw/zinc/33/07/83/444330783.db2.gz PZSPFSINDIFPGZ-JKSUJKDBSA-N 2 2 341.883 1.053 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000320589359 444330785 /nfs/dbraw/zinc/33/07/85/444330785.db2.gz PZSPFSINDIFPGZ-JKSUJKDBSA-N 2 2 341.883 1.053 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000340516762 444422144 /nfs/dbraw/zinc/42/21/44/444422144.db2.gz ALLYVTSDGGZQDT-SFHVURJKSA-N 2 2 346.454 1.649 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000340516762 444422148 /nfs/dbraw/zinc/42/21/48/444422148.db2.gz ALLYVTSDGGZQDT-SFHVURJKSA-N 2 2 346.454 1.649 20 0 EDADLP Fc1ccc(-c2cnc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000326854284 444378542 /nfs/dbraw/zinc/37/85/42/444378542.db2.gz PBGFAAAGNLTVRZ-INIZCTEOSA-N 2 2 330.407 1.960 20 0 EDADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC000329025034 444449028 /nfs/dbraw/zinc/44/90/28/444449028.db2.gz NNCWAZWNLYUAEK-DLBZAZTESA-N 2 2 326.400 1.417 20 0 EDADLP C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC000329025034 444449031 /nfs/dbraw/zinc/44/90/31/444449031.db2.gz NNCWAZWNLYUAEK-DLBZAZTESA-N 2 2 326.400 1.417 20 0 EDADLP CS[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1[NH+](C)C ZINC000340591579 444452908 /nfs/dbraw/zinc/45/29/08/444452908.db2.gz DDTZIHYESBUQBZ-HZPDHXFCSA-N 2 2 330.457 1.990 20 0 EDADLP COC[C@@H]1CCN(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000337945839 444467553 /nfs/dbraw/zinc/46/75/53/444467553.db2.gz NUDIRSKUXJHZCW-OAHLLOKOSA-N 2 2 326.485 1.033 20 0 EDADLP COC[C@@H]1CCN(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000337945839 444467557 /nfs/dbraw/zinc/46/75/57/444467557.db2.gz NUDIRSKUXJHZCW-OAHLLOKOSA-N 2 2 326.485 1.033 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331869988 444489552 /nfs/dbraw/zinc/48/95/52/444489552.db2.gz LTJMJPWMAAFTRJ-QWRGUYRKSA-N 2 2 338.374 1.179 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331869988 444489553 /nfs/dbraw/zinc/48/95/53/444489553.db2.gz LTJMJPWMAAFTRJ-QWRGUYRKSA-N 2 2 338.374 1.179 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[N@@H+]1C1CC1 ZINC000329188916 444496064 /nfs/dbraw/zinc/49/60/64/444496064.db2.gz QPSHCRWNCFEXMW-BFHYXJOUSA-N 2 2 327.494 1.158 20 0 EDADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C[N@H+]1C1CC1 ZINC000329188916 444496066 /nfs/dbraw/zinc/49/60/66/444496066.db2.gz QPSHCRWNCFEXMW-BFHYXJOUSA-N 2 2 327.494 1.158 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000580633569 322076327 /nfs/dbraw/zinc/07/63/27/322076327.db2.gz IGONBUCBQFYONZ-UONOGXRCSA-N 2 2 329.448 1.766 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000580776195 322094262 /nfs/dbraw/zinc/09/42/62/322094262.db2.gz OGYQMUBYDGFDKI-RRFJBIMHSA-N 2 2 336.455 1.578 20 0 EDADLP CN(C(=O)Cn1c[nH+]c2c1CCCC2)C(C)(C)C[NH+]1CCOCC1 ZINC000580820663 322099071 /nfs/dbraw/zinc/09/90/71/322099071.db2.gz NCFBEAHWFTWULT-UHFFFAOYSA-N 2 2 334.464 1.331 20 0 EDADLP Cc1cc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc[nH+]1 ZINC000329202719 444500227 /nfs/dbraw/zinc/50/02/27/444500227.db2.gz YFXPCBNLIOBTBI-HZPDHXFCSA-N 2 2 334.464 1.880 20 0 EDADLP CCOc1ccccc1NC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581318449 322163799 /nfs/dbraw/zinc/16/37/99/322163799.db2.gz SZAXHSLLEMJORD-UHFFFAOYSA-N 2 2 343.431 1.959 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000581618424 322200416 /nfs/dbraw/zinc/20/04/16/322200416.db2.gz BJLCOCRHCLECNK-GXTWGEPZSA-N 2 2 343.349 1.328 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000581618424 322200417 /nfs/dbraw/zinc/20/04/17/322200417.db2.gz BJLCOCRHCLECNK-GXTWGEPZSA-N 2 2 343.349 1.328 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000581646423 322202510 /nfs/dbraw/zinc/20/25/10/322202510.db2.gz KNJDAWJLTWPJSW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000581646423 322202511 /nfs/dbraw/zinc/20/25/11/322202511.db2.gz KNJDAWJLTWPJSW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000581646423 322202513 /nfs/dbraw/zinc/20/25/13/322202513.db2.gz KNJDAWJLTWPJSW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000581646423 322202514 /nfs/dbraw/zinc/20/25/14/322202514.db2.gz KNJDAWJLTWPJSW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000581932853 322234354 /nfs/dbraw/zinc/23/43/54/322234354.db2.gz PEEFQVXMJJSAHF-KBMXLJTQSA-N 2 2 327.432 1.807 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)CC[C@H]21 ZINC000332683278 444526864 /nfs/dbraw/zinc/52/68/64/444526864.db2.gz KPWZZGWKRRIVBF-BZUAXINKSA-N 2 2 331.464 1.886 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)CC[C@H]21 ZINC000332683278 444526869 /nfs/dbraw/zinc/52/68/69/444526869.db2.gz KPWZZGWKRRIVBF-BZUAXINKSA-N 2 2 331.464 1.886 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000343761785 444571400 /nfs/dbraw/zinc/57/14/00/444571400.db2.gz HZPXOQIXLXGYFB-JLSDUUJJSA-N 2 2 331.460 1.635 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000343775721 444582996 /nfs/dbraw/zinc/58/29/96/444582996.db2.gz FDACQGNDJALKMY-MRXNPFEDSA-N 2 2 346.475 1.093 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000343775721 444583003 /nfs/dbraw/zinc/58/30/03/444583003.db2.gz FDACQGNDJALKMY-MRXNPFEDSA-N 2 2 346.475 1.093 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000338319508 444629191 /nfs/dbraw/zinc/62/91/91/444629191.db2.gz PRYWZUFLQFWVAM-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000338319508 444629197 /nfs/dbraw/zinc/62/91/97/444629197.db2.gz PRYWZUFLQFWVAM-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000340982737 444613834 /nfs/dbraw/zinc/61/38/34/444613834.db2.gz HAIVYMOCWOZXLC-BRWVUGGUSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000340982737 444613843 /nfs/dbraw/zinc/61/38/43/444613843.db2.gz HAIVYMOCWOZXLC-BRWVUGGUSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338312376 444625269 /nfs/dbraw/zinc/62/52/69/444625269.db2.gz ISBYWYJVMMZQMV-GOSISDBHSA-N 2 2 339.480 1.160 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000333469146 444673565 /nfs/dbraw/zinc/67/35/65/444673565.db2.gz DBXPRSPRVNKQFE-CRAIPNDOSA-N 2 2 331.464 1.265 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000333469146 444673569 /nfs/dbraw/zinc/67/35/69/444673569.db2.gz DBXPRSPRVNKQFE-CRAIPNDOSA-N 2 2 331.464 1.265 20 0 EDADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343972640 444702979 /nfs/dbraw/zinc/70/29/79/444702979.db2.gz GNEBULCTHSFHMT-KURKYZTESA-N 2 2 336.524 1.345 20 0 EDADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343972640 444702982 /nfs/dbraw/zinc/70/29/82/444702982.db2.gz GNEBULCTHSFHMT-KURKYZTESA-N 2 2 336.524 1.345 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000341176738 444711628 /nfs/dbraw/zinc/71/16/28/444711628.db2.gz OEHQCHAFKAQGAO-CQSZACIVSA-N 2 2 346.435 1.106 20 0 EDADLP C[N@H+](CC[C@H]1CCCO1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342588119 444758797 /nfs/dbraw/zinc/75/87/97/444758797.db2.gz AKUHCIWRFFOODD-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP C[N@@H+](CC[C@H]1CCCO1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000342588119 444758802 /nfs/dbraw/zinc/75/88/02/444758802.db2.gz AKUHCIWRFFOODD-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP OC[C@@]1(F)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338587596 444759172 /nfs/dbraw/zinc/75/91/72/444759172.db2.gz LGJJGKBPPZHYPK-HDICACEKSA-N 2 2 340.414 1.499 20 0 EDADLP OC[C@@]1(F)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338587596 444759178 /nfs/dbraw/zinc/75/91/78/444759178.db2.gz LGJJGKBPPZHYPK-HDICACEKSA-N 2 2 340.414 1.499 20 0 EDADLP OC[C@@]1(F)CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@@](F)(CO)C2)C1 ZINC000338587596 444759183 /nfs/dbraw/zinc/75/91/83/444759183.db2.gz LGJJGKBPPZHYPK-HDICACEKSA-N 2 2 340.414 1.499 20 0 EDADLP OC[C@@]1(F)CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@](F)(CO)C2)C1 ZINC000338587596 444759187 /nfs/dbraw/zinc/75/91/87/444759187.db2.gz LGJJGKBPPZHYPK-HDICACEKSA-N 2 2 340.414 1.499 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000334099745 444779889 /nfs/dbraw/zinc/77/98/89/444779889.db2.gz PLPZHXJNIAVVCG-NWDGAFQWSA-N 2 2 347.385 1.927 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000334099745 444779892 /nfs/dbraw/zinc/77/98/92/444779892.db2.gz PLPZHXJNIAVVCG-NWDGAFQWSA-N 2 2 347.385 1.927 20 0 EDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3COCCO3)c[nH+]c12 ZINC000344133740 444799210 /nfs/dbraw/zinc/79/92/10/444799210.db2.gz XRQCAQLUYYAPNP-ZDUSSCGKSA-N 2 2 340.221 1.910 20 0 EDADLP C[C@H]1C[C@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC[N@@H+]1C ZINC000344173401 444821190 /nfs/dbraw/zinc/82/11/90/444821190.db2.gz NFVLDOZLYYOAHB-GOEBONIOSA-N 2 2 332.448 1.265 20 0 EDADLP C[C@H]1C[C@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC[N@H+]1C ZINC000344173401 444821192 /nfs/dbraw/zinc/82/11/92/444821192.db2.gz NFVLDOZLYYOAHB-GOEBONIOSA-N 2 2 332.448 1.265 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000338677852 444804805 /nfs/dbraw/zinc/80/48/05/444804805.db2.gz SZXFTNFUNWGZBJ-WMZOPIPTSA-N 2 2 349.450 1.485 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000338677852 444804807 /nfs/dbraw/zinc/80/48/07/444804807.db2.gz SZXFTNFUNWGZBJ-WMZOPIPTSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000338677852 444804810 /nfs/dbraw/zinc/80/48/10/444804810.db2.gz SZXFTNFUNWGZBJ-WMZOPIPTSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000338677852 444804812 /nfs/dbraw/zinc/80/48/12/444804812.db2.gz SZXFTNFUNWGZBJ-WMZOPIPTSA-N 2 2 349.450 1.485 20 0 EDADLP CCOc1nnc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000336858085 444806728 /nfs/dbraw/zinc/80/67/28/444806728.db2.gz WYSJQUFJSQTJEX-UHFFFAOYSA-N 2 2 327.498 1.395 20 0 EDADLP CCOc1nnc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000336858085 444806731 /nfs/dbraw/zinc/80/67/31/444806731.db2.gz WYSJQUFJSQTJEX-UHFFFAOYSA-N 2 2 327.498 1.395 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[NH2+]CC1(F)F ZINC000342695705 444819762 /nfs/dbraw/zinc/81/97/62/444819762.db2.gz PTMZCXSJXCUOBN-MRVPVSSYSA-N 2 2 326.269 1.306 20 0 EDADLP CCNc1nc(NC2CC[NH+](C3CC3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000341419971 444819851 /nfs/dbraw/zinc/81/98/51/444819851.db2.gz QVDFTANEBSLHCL-UHFFFAOYSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000341419971 444819864 /nfs/dbraw/zinc/81/98/64/444819864.db2.gz QVDFTANEBSLHCL-UHFFFAOYSA-N 2 2 333.484 1.396 20 0 EDADLP CCNc1nc(NC2CC[NH+](C3CC3)CC2)[nH+]c(NC(C)(C)C)n1 ZINC000341419971 444819868 /nfs/dbraw/zinc/81/98/68/444819868.db2.gz QVDFTANEBSLHCL-UHFFFAOYSA-N 2 2 333.484 1.396 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342699839 444822734 /nfs/dbraw/zinc/82/27/34/444822734.db2.gz VYULZYRQGWDSBZ-HNNXBMFYSA-N 2 2 334.370 1.792 20 0 EDADLP Cc1nc(C)n(C[C@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)n1 ZINC000336878787 444825477 /nfs/dbraw/zinc/82/54/77/444825477.db2.gz IRDPKDFJLOTPGF-QGZVFWFLSA-N 2 2 332.452 1.581 20 0 EDADLP Cc1nc(C)n(C[C@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)n1 ZINC000336878787 444825481 /nfs/dbraw/zinc/82/54/81/444825481.db2.gz IRDPKDFJLOTPGF-QGZVFWFLSA-N 2 2 332.452 1.581 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342728527 444837156 /nfs/dbraw/zinc/83/71/56/444837156.db2.gz NFRQOKVUBNSKMS-INIZCTEOSA-N 2 2 347.507 1.806 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000342728527 444837158 /nfs/dbraw/zinc/83/71/58/444837158.db2.gz NFRQOKVUBNSKMS-INIZCTEOSA-N 2 2 347.507 1.806 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000344212697 444842636 /nfs/dbraw/zinc/84/26/36/444842636.db2.gz LXAYPMBWATUHHJ-YJBOKZPZSA-N 3 2 332.492 1.408 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000344212697 444842639 /nfs/dbraw/zinc/84/26/39/444842639.db2.gz LXAYPMBWATUHHJ-YJBOKZPZSA-N 3 2 332.492 1.408 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000344462283 444991176 /nfs/dbraw/zinc/99/11/76/444991176.db2.gz QUDARZHKHQHXKK-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000344462283 444991180 /nfs/dbraw/zinc/99/11/80/444991180.db2.gz QUDARZHKHQHXKK-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000344462283 444991185 /nfs/dbraw/zinc/99/11/85/444991185.db2.gz QUDARZHKHQHXKK-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000344462283 444991189 /nfs/dbraw/zinc/99/11/89/444991189.db2.gz QUDARZHKHQHXKK-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000337285031 445016162 /nfs/dbraw/zinc/01/61/62/445016162.db2.gz ZODUWZOQXPKAQS-UHFFFAOYSA-N 2 2 349.475 1.738 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000337285031 445016167 /nfs/dbraw/zinc/01/61/67/445016167.db2.gz ZODUWZOQXPKAQS-UHFFFAOYSA-N 2 2 349.475 1.738 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)N(C)Cc1[nH+]ccn1C)[NH+](C)C ZINC000341821721 445017597 /nfs/dbraw/zinc/01/75/97/445017597.db2.gz ZZHMSOCJTCIPHV-OAHLLOKOSA-N 2 2 345.447 1.873 20 0 EDADLP CN(C)C(=O)NCC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341910510 445067814 /nfs/dbraw/zinc/06/78/14/445067814.db2.gz OHDKGZFBYJSHRR-SFHVURJKSA-N 2 2 348.491 1.481 20 0 EDADLP CN(C)C(=O)NCC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341910510 445067816 /nfs/dbraw/zinc/06/78/16/445067816.db2.gz OHDKGZFBYJSHRR-SFHVURJKSA-N 2 2 348.491 1.481 20 0 EDADLP CN(C)C(=O)NCC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341910510 445067819 /nfs/dbraw/zinc/06/78/19/445067819.db2.gz OHDKGZFBYJSHRR-SFHVURJKSA-N 2 2 348.491 1.481 20 0 EDADLP CN(C)C(=O)NCC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341910510 445067820 /nfs/dbraw/zinc/06/78/20/445067820.db2.gz OHDKGZFBYJSHRR-SFHVURJKSA-N 2 2 348.491 1.481 20 0 EDADLP CC[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339253865 445117318 /nfs/dbraw/zinc/11/73/18/445117318.db2.gz BLWGSZCRSPOPQY-ROUUACIJSA-N 2 2 337.508 1.866 20 0 EDADLP CC[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339253865 445117321 /nfs/dbraw/zinc/11/73/21/445117321.db2.gz BLWGSZCRSPOPQY-ROUUACIJSA-N 2 2 337.508 1.866 20 0 EDADLP CC[C@@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000339271773 445128791 /nfs/dbraw/zinc/12/87/91/445128791.db2.gz SUKASHJSYGLEKJ-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000339271773 445128793 /nfs/dbraw/zinc/12/87/93/445128793.db2.gz SUKASHJSYGLEKJ-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000343278021 445174683 /nfs/dbraw/zinc/17/46/83/445174683.db2.gz IOCJRAYZYNOMEW-ICSRJNTNSA-N 3 2 330.520 1.734 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000343278021 445174684 /nfs/dbraw/zinc/17/46/84/445174684.db2.gz IOCJRAYZYNOMEW-ICSRJNTNSA-N 3 2 330.520 1.734 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)NCc2ccc(F)cc2C(F)(F)F)CCC1 ZINC000342112572 445178712 /nfs/dbraw/zinc/17/87/12/445178712.db2.gz ARKJLVLBJRDOEZ-UHFFFAOYSA-N 2 2 333.329 1.932 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000345328790 445181239 /nfs/dbraw/zinc/18/12/39/445181239.db2.gz XNKHZAQRHYEKRW-IYBDPMFKSA-N 2 2 333.480 1.327 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000345328790 445181242 /nfs/dbraw/zinc/18/12/42/445181242.db2.gz XNKHZAQRHYEKRW-IYBDPMFKSA-N 2 2 333.480 1.327 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000345328790 445181244 /nfs/dbraw/zinc/18/12/44/445181244.db2.gz XNKHZAQRHYEKRW-IYBDPMFKSA-N 2 2 333.480 1.327 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000345328790 445181247 /nfs/dbraw/zinc/18/12/47/445181247.db2.gz XNKHZAQRHYEKRW-IYBDPMFKSA-N 2 2 333.480 1.327 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[NH+]3Cc3ccccc3)C[C@H]21 ZINC000343290479 445183428 /nfs/dbraw/zinc/18/34/28/445183428.db2.gz WPOIMQSZMHMUCT-RCCFBDPRSA-N 2 2 329.444 1.192 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[NH+]3Cc3ccccc3)C[C@H]21 ZINC000343290479 445183433 /nfs/dbraw/zinc/18/34/33/445183433.db2.gz WPOIMQSZMHMUCT-RCCFBDPRSA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)C[C@H]21 ZINC000343290479 445183436 /nfs/dbraw/zinc/18/34/36/445183436.db2.gz WPOIMQSZMHMUCT-RCCFBDPRSA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)C[C@H]21 ZINC000343290479 445183441 /nfs/dbraw/zinc/18/34/41/445183441.db2.gz WPOIMQSZMHMUCT-RCCFBDPRSA-N 2 2 329.444 1.192 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000345385544 445184886 /nfs/dbraw/zinc/18/48/86/445184886.db2.gz YYXLLIIKGVCDHU-AIANPOQGSA-N 2 2 328.460 1.895 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000345385544 445184888 /nfs/dbraw/zinc/18/48/88/445184888.db2.gz YYXLLIIKGVCDHU-AIANPOQGSA-N 2 2 328.460 1.895 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]([NH+]3CC=CC3)C1)CCC2 ZINC000337587644 445153480 /nfs/dbraw/zinc/15/34/80/445153480.db2.gz GFCDXYFUICDLRR-JKSUJKDBSA-N 2 2 329.448 1.725 20 0 EDADLP Cc1ccc(C(=O)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000619177470 450422463 /nfs/dbraw/zinc/42/24/63/450422463.db2.gz YZXFEGVBHQABJA-UHFFFAOYSA-N 2 2 338.411 1.963 20 0 EDADLP Cc1cccn2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3ccnn3C)c[nH+]c12 ZINC000343393444 445214919 /nfs/dbraw/zinc/21/49/19/445214919.db2.gz WJVXTCDSMWNTJD-RHSMWYFYSA-N 2 2 338.415 1.486 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)CCC[N@@H+]1C ZINC000345774259 445199347 /nfs/dbraw/zinc/19/93/47/445199347.db2.gz ITMISZVCVVRHBM-GDBMZVCRSA-N 2 2 341.459 2.429 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)CCC[N@H+]1C ZINC000345774259 445199350 /nfs/dbraw/zinc/19/93/50/445199350.db2.gz ITMISZVCVVRHBM-GDBMZVCRSA-N 2 2 341.459 2.429 20 0 EDADLP O=C1C[C@H]([NH2+]CC[NH+]2CCCCC2)[C@@H](c2cccnc2)N1C1CC1 ZINC000346929107 445228342 /nfs/dbraw/zinc/22/83/42/445228342.db2.gz NRJMVOGVXRIRSE-PKOBYXMFSA-N 2 2 328.460 1.962 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)CCc1cccnc1 ZINC000348096395 445266104 /nfs/dbraw/zinc/26/61/04/445266104.db2.gz ABRYSYXUFWVFEQ-SJORKVTESA-N 2 2 331.439 1.902 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)CCc1cccnc1 ZINC000348096395 445266105 /nfs/dbraw/zinc/26/61/05/445266105.db2.gz ABRYSYXUFWVFEQ-SJORKVTESA-N 2 2 331.439 1.902 20 0 EDADLP COCC[N@H+](C)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354596870 445308372 /nfs/dbraw/zinc/30/83/72/445308372.db2.gz IPSXZAXIWITPST-UHFFFAOYSA-N 2 2 344.459 1.998 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000354596870 445308376 /nfs/dbraw/zinc/30/83/76/445308376.db2.gz IPSXZAXIWITPST-UHFFFAOYSA-N 2 2 344.459 1.998 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000351773235 445316573 /nfs/dbraw/zinc/31/65/73/445316573.db2.gz JQQZCHKFGWJKOS-JKSUJKDBSA-N 2 2 337.468 1.414 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000348110090 445272867 /nfs/dbraw/zinc/27/28/67/445272867.db2.gz BHJFKVKUMOMFIN-ZIAGYGMSSA-N 2 2 339.459 1.179 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000348110090 445272869 /nfs/dbraw/zinc/27/28/69/445272869.db2.gz BHJFKVKUMOMFIN-ZIAGYGMSSA-N 2 2 339.459 1.179 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343644098 445278450 /nfs/dbraw/zinc/27/84/50/445278450.db2.gz OASMLSVYEIHWKY-NCOADZHNSA-N 2 2 328.460 1.849 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343644098 445278454 /nfs/dbraw/zinc/27/84/54/445278454.db2.gz OASMLSVYEIHWKY-NCOADZHNSA-N 2 2 328.460 1.849 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000348292005 445340868 /nfs/dbraw/zinc/34/08/68/445340868.db2.gz WGGILHIRDQQBCW-HOTGVXAUSA-N 2 2 325.478 1.630 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351848646 445341729 /nfs/dbraw/zinc/34/17/29/445341729.db2.gz DPWPTJUTIMLPGX-VHSXEESVSA-N 2 2 327.331 1.616 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351848646 445341731 /nfs/dbraw/zinc/34/17/31/445341731.db2.gz DPWPTJUTIMLPGX-VHSXEESVSA-N 2 2 327.331 1.616 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357070943 445405959 /nfs/dbraw/zinc/40/59/59/445405959.db2.gz BFJLNQUKVSPOAK-ROUUACIJSA-N 2 2 331.460 1.381 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357070943 445405962 /nfs/dbraw/zinc/40/59/62/445405962.db2.gz BFJLNQUKVSPOAK-ROUUACIJSA-N 2 2 331.460 1.381 20 0 EDADLP O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000357074777 445408971 /nfs/dbraw/zinc/40/89/71/445408971.db2.gz NIXLIZJLNYBSKD-KGLIPLIRSA-N 2 2 349.504 1.219 20 0 EDADLP Cc1cc(C[NH+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[N@@H+](C)C(C)C)on1 ZINC000351980386 445415155 /nfs/dbraw/zinc/41/51/55/445415155.db2.gz DNXHTPMKSCTUCS-GJZGRUSLSA-N 2 2 340.443 1.694 20 0 EDADLP Cc1cc(C[NH+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[N@H+](C)C(C)C)on1 ZINC000351980386 445415158 /nfs/dbraw/zinc/41/51/58/445415158.db2.gz DNXHTPMKSCTUCS-GJZGRUSLSA-N 2 2 340.443 1.694 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[NH+](C)C(C)C)on1 ZINC000351980386 445415163 /nfs/dbraw/zinc/41/51/63/445415163.db2.gz DNXHTPMKSCTUCS-GJZGRUSLSA-N 2 2 340.443 1.694 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[NH+](C)C(C)C)on1 ZINC000351980386 445415166 /nfs/dbraw/zinc/41/51/66/445415166.db2.gz DNXHTPMKSCTUCS-GJZGRUSLSA-N 2 2 340.443 1.694 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000359764117 445415319 /nfs/dbraw/zinc/41/53/19/445415319.db2.gz IVSWZBPPFFIORI-MRXNPFEDSA-N 2 2 341.459 1.549 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2nccn2-c2ccccc2)C1 ZINC000359764117 445415321 /nfs/dbraw/zinc/41/53/21/445415321.db2.gz IVSWZBPPFFIORI-MRXNPFEDSA-N 2 2 341.459 1.549 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357088591 445419617 /nfs/dbraw/zinc/41/96/17/445419617.db2.gz XYRXFOUGPWDCPU-HOTGVXAUSA-N 2 2 349.450 1.594 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357088591 445419622 /nfs/dbraw/zinc/41/96/22/445419622.db2.gz XYRXFOUGPWDCPU-HOTGVXAUSA-N 2 2 349.450 1.594 20 0 EDADLP COC(=O)CCCc1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)no1 ZINC000357090140 445421284 /nfs/dbraw/zinc/42/12/84/445421284.db2.gz RAAWROFVQZSBTO-CQSZACIVSA-N 2 2 336.436 1.387 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000357091175 445422994 /nfs/dbraw/zinc/42/29/94/445422994.db2.gz WAOFINIUBFSNIY-IRXDYDNUSA-N 2 2 330.476 1.170 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000357091175 445422998 /nfs/dbraw/zinc/42/29/98/445422998.db2.gz WAOFINIUBFSNIY-IRXDYDNUSA-N 2 2 330.476 1.170 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000357094457 445425512 /nfs/dbraw/zinc/42/55/12/445425512.db2.gz ZUQBBWISSSPGFK-CWRNSKLLSA-N 2 2 349.450 1.723 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000357094457 445425517 /nfs/dbraw/zinc/42/55/17/445425517.db2.gz ZUQBBWISSSPGFK-CWRNSKLLSA-N 2 2 349.450 1.723 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000348901208 445434209 /nfs/dbraw/zinc/43/42/09/445434209.db2.gz PLJLQYWOKUXTFM-XWTMOSNGSA-N 2 2 339.524 1.970 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000348901208 445434213 /nfs/dbraw/zinc/43/42/13/445434213.db2.gz PLJLQYWOKUXTFM-XWTMOSNGSA-N 2 2 339.524 1.970 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000348901208 445434220 /nfs/dbraw/zinc/43/42/20/445434220.db2.gz PLJLQYWOKUXTFM-XWTMOSNGSA-N 2 2 339.524 1.970 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000348901208 445434229 /nfs/dbraw/zinc/43/42/29/445434229.db2.gz PLJLQYWOKUXTFM-XWTMOSNGSA-N 2 2 339.524 1.970 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000348950722 445452487 /nfs/dbraw/zinc/45/24/87/445452487.db2.gz SUMHSWQMBJWONE-KSSFIOAISA-N 2 2 344.463 1.536 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000348950722 445452490 /nfs/dbraw/zinc/45/24/90/445452490.db2.gz SUMHSWQMBJWONE-KSSFIOAISA-N 2 2 344.463 1.536 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000355333236 445455292 /nfs/dbraw/zinc/45/52/92/445455292.db2.gz KMXSXDJXPWRLBC-KURKYZTESA-N 2 2 337.508 1.888 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000355333236 445455296 /nfs/dbraw/zinc/45/52/96/445455296.db2.gz KMXSXDJXPWRLBC-KURKYZTESA-N 2 2 337.508 1.888 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000352053439 445461125 /nfs/dbraw/zinc/46/11/25/445461125.db2.gz TUCXKZHMPDBLBU-KRWDZBQOSA-N 2 2 335.496 1.621 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000352053439 445461127 /nfs/dbraw/zinc/46/11/27/445461127.db2.gz TUCXKZHMPDBLBU-KRWDZBQOSA-N 2 2 335.496 1.621 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355570185 445469000 /nfs/dbraw/zinc/46/90/00/445469000.db2.gz DRUFOUUMAKDWBS-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355570185 445469002 /nfs/dbraw/zinc/46/90/02/445469002.db2.gz DRUFOUUMAKDWBS-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355570185 445469004 /nfs/dbraw/zinc/46/90/04/445469004.db2.gz DRUFOUUMAKDWBS-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CC[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355570185 445469005 /nfs/dbraw/zinc/46/90/05/445469005.db2.gz DRUFOUUMAKDWBS-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000357183782 445470672 /nfs/dbraw/zinc/47/06/72/445470672.db2.gz YETBWSYNPSFQGT-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000357183782 445470675 /nfs/dbraw/zinc/47/06/75/445470675.db2.gz YETBWSYNPSFQGT-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP O=C1[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)cc1 ZINC000352519001 445535418 /nfs/dbraw/zinc/53/54/18/445535418.db2.gz KYJHMDKIXORXMT-IAGOWNOFSA-N 2 2 348.878 1.425 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000362670317 445489760 /nfs/dbraw/zinc/48/97/60/445489760.db2.gz JQKZTBDKVWPHOO-CQSZACIVSA-N 2 2 346.456 1.799 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000362670317 445489765 /nfs/dbraw/zinc/48/97/65/445489765.db2.gz JQKZTBDKVWPHOO-CQSZACIVSA-N 2 2 346.456 1.799 20 0 EDADLP COc1ccccc1/C=C\C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362672925 445492140 /nfs/dbraw/zinc/49/21/40/445492140.db2.gz NDKKQQFXAGAVPD-DANOYGIBSA-N 2 2 329.444 1.605 20 0 EDADLP COc1ccccc1/C=C\C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362672925 445492141 /nfs/dbraw/zinc/49/21/41/445492141.db2.gz NDKKQQFXAGAVPD-DANOYGIBSA-N 2 2 329.444 1.605 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000362673567 445492714 /nfs/dbraw/zinc/49/27/14/445492714.db2.gz OXQCTQQFQXZTIJ-SWQCVOCJSA-N 2 2 335.398 1.874 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000362673567 445492719 /nfs/dbraw/zinc/49/27/19/445492719.db2.gz OXQCTQQFQXZTIJ-SWQCVOCJSA-N 2 2 335.398 1.874 20 0 EDADLP Cn1ccc(N2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2=O)n1 ZINC000360092195 445562086 /nfs/dbraw/zinc/56/20/86/445562086.db2.gz HQWFEYJLFVFNFX-INIZCTEOSA-N 2 2 336.399 1.501 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000362842872 445577620 /nfs/dbraw/zinc/57/76/20/445577620.db2.gz NGHUVNIWIVIDJU-PMPSAXMXSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000362842872 445577624 /nfs/dbraw/zinc/57/76/24/445577624.db2.gz NGHUVNIWIVIDJU-PMPSAXMXSA-N 2 2 326.485 1.077 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1C[NH+](C)C ZINC000362768596 445540881 /nfs/dbraw/zinc/54/08/81/445540881.db2.gz FOIRWFAHPKKTDW-UHFFFAOYSA-N 3 2 346.519 1.846 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1C[NH+](C)C ZINC000362768596 445540886 /nfs/dbraw/zinc/54/08/86/445540886.db2.gz FOIRWFAHPKKTDW-UHFFFAOYSA-N 3 2 346.519 1.846 20 0 EDADLP CS(=O)(=O)CCCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000360043982 445542592 /nfs/dbraw/zinc/54/25/92/445542592.db2.gz ATNJELSEXTUOEN-UHFFFAOYSA-N 2 2 339.505 1.851 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](COC)Cc1ccccc1 ZINC000357322976 445547602 /nfs/dbraw/zinc/54/76/02/445547602.db2.gz VKAFCJHXBIBRMX-GOSISDBHSA-N 2 2 333.476 1.340 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](COC)Cc1ccccc1 ZINC000357322976 445547604 /nfs/dbraw/zinc/54/76/04/445547604.db2.gz VKAFCJHXBIBRMX-GOSISDBHSA-N 2 2 333.476 1.340 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000356087220 445612059 /nfs/dbraw/zinc/61/20/59/445612059.db2.gz CVQLFOFEDVPNHW-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000356087220 445612060 /nfs/dbraw/zinc/61/20/60/445612060.db2.gz CVQLFOFEDVPNHW-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356087220 445612064 /nfs/dbraw/zinc/61/20/64/445612064.db2.gz CVQLFOFEDVPNHW-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356087220 445612068 /nfs/dbraw/zinc/61/20/68/445612068.db2.gz CVQLFOFEDVPNHW-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000356114424 445629388 /nfs/dbraw/zinc/62/93/88/445629388.db2.gz XUWCQORSOOHPDL-HNNXBMFYSA-N 2 2 334.464 1.374 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H]2C)CC1 ZINC000357910595 445592198 /nfs/dbraw/zinc/59/21/98/445592198.db2.gz VNEVIXULMDOSGB-SJORKVTESA-N 2 2 336.480 1.143 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H]2C)CC1 ZINC000357910595 445592201 /nfs/dbraw/zinc/59/22/01/445592201.db2.gz VNEVIXULMDOSGB-SJORKVTESA-N 2 2 336.480 1.143 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000349749249 445665384 /nfs/dbraw/zinc/66/53/84/445665384.db2.gz SQBKMRFTHUQWOJ-IRXDYDNUSA-N 2 2 342.528 1.859 20 0 EDADLP O=C1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]([C@@H]2CCCO2)N1 ZINC000353569592 445660975 /nfs/dbraw/zinc/66/09/75/445660975.db2.gz RMLCWLKOLZJGHV-BXWFABGCSA-N 2 2 344.459 1.466 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](CC(=O)OC)C2CCCC2)CC1 ZINC000353571746 445661519 /nfs/dbraw/zinc/66/15/19/445661519.db2.gz IVWVUXSSUWOBKB-UHFFFAOYSA-N 2 2 325.453 1.005 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CC(=O)OC)C2CCCC2)CC1 ZINC000353571746 445661523 /nfs/dbraw/zinc/66/15/23/445661523.db2.gz IVWVUXSSUWOBKB-UHFFFAOYSA-N 2 2 325.453 1.005 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000356230258 445688656 /nfs/dbraw/zinc/68/86/56/445688656.db2.gz PENBUWWKHITECG-KRWDZBQOSA-N 2 2 340.512 1.518 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000356230258 445688659 /nfs/dbraw/zinc/68/86/59/445688659.db2.gz PENBUWWKHITECG-KRWDZBQOSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000356235042 445690271 /nfs/dbraw/zinc/69/02/71/445690271.db2.gz KGELFBDRXOBXAC-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000356235042 445690274 /nfs/dbraw/zinc/69/02/74/445690274.db2.gz KGELFBDRXOBXAC-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000356235042 445690276 /nfs/dbraw/zinc/69/02/76/445690276.db2.gz KGELFBDRXOBXAC-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000356235042 445690278 /nfs/dbraw/zinc/69/02/78/445690278.db2.gz KGELFBDRXOBXAC-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C[NH+](CCN(C)C(=O)CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000360311372 445690699 /nfs/dbraw/zinc/69/06/99/445690699.db2.gz UMFSAWAFUWQMHO-IRXDYDNUSA-N 2 2 341.496 1.057 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360339103 445701205 /nfs/dbraw/zinc/70/12/05/445701205.db2.gz SATURCJYZDVKPU-ZOBUZTSGSA-N 2 2 346.475 1.721 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360339103 445701206 /nfs/dbraw/zinc/70/12/06/445701206.db2.gz SATURCJYZDVKPU-ZOBUZTSGSA-N 2 2 346.475 1.721 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000360830782 445734658 /nfs/dbraw/zinc/73/46/58/445734658.db2.gz GTNVAOSYIOCVQL-ZNMIVQPWSA-N 2 2 344.450 1.001 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000360830782 445734662 /nfs/dbraw/zinc/73/46/62/445734662.db2.gz GTNVAOSYIOCVQL-ZNMIVQPWSA-N 2 2 344.450 1.001 20 0 EDADLP CCN(CCOC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353835829 445776532 /nfs/dbraw/zinc/77/65/32/445776532.db2.gz NNWDQPAVCGJDNR-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP Cc1nc(C)c([C@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)s1 ZINC000361482146 445781386 /nfs/dbraw/zinc/78/13/86/445781386.db2.gz VDHPNCVLUDWNHH-AWEZNQCLSA-N 2 2 340.537 1.801 20 0 EDADLP O=c1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)nc2sccn21 ZINC000363414134 445793767 /nfs/dbraw/zinc/79/37/67/445793767.db2.gz KJPWTZDUTDHKHD-SNPRPXQTSA-N 2 2 330.457 1.672 20 0 EDADLP O=c1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)nc2sccn21 ZINC000363414134 445793769 /nfs/dbraw/zinc/79/37/69/445793769.db2.gz KJPWTZDUTDHKHD-SNPRPXQTSA-N 2 2 330.457 1.672 20 0 EDADLP O=c1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)nc2sccn21 ZINC000363414134 445793773 /nfs/dbraw/zinc/79/37/73/445793773.db2.gz KJPWTZDUTDHKHD-SNPRPXQTSA-N 2 2 330.457 1.672 20 0 EDADLP O=c1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)nc2sccn21 ZINC000363414134 445793776 /nfs/dbraw/zinc/79/37/76/445793776.db2.gz KJPWTZDUTDHKHD-SNPRPXQTSA-N 2 2 330.457 1.672 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000361532036 445806455 /nfs/dbraw/zinc/80/64/55/445806455.db2.gz VMXZQGGNRCVQOP-CVEARBPZSA-N 2 2 346.475 1.907 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)C1CCOCC1 ZINC000356611344 445884923 /nfs/dbraw/zinc/88/49/23/445884923.db2.gz OTXUNOVUDGXOQG-ZFWWWQNUSA-N 2 2 337.468 1.620 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C)[NH+]1CCOCC1 ZINC000350549705 445848264 /nfs/dbraw/zinc/84/82/64/445848264.db2.gz CJWLUHPWYGSFMP-SJORKVTESA-N 2 2 340.512 1.325 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)[NH+]1CCOCC1 ZINC000350549705 445848271 /nfs/dbraw/zinc/84/82/71/445848271.db2.gz CJWLUHPWYGSFMP-SJORKVTESA-N 2 2 340.512 1.325 20 0 EDADLP C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CC[NH+](CCO)CC1 ZINC000361621558 445851247 /nfs/dbraw/zinc/85/12/47/445851247.db2.gz VYTRIHDYPVURKA-UHFFFAOYSA-N 2 2 347.381 1.911 20 0 EDADLP C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CC[NH+](CCO)CC1 ZINC000361621558 445851249 /nfs/dbraw/zinc/85/12/49/445851249.db2.gz VYTRIHDYPVURKA-UHFFFAOYSA-N 2 2 347.381 1.911 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccnc(C[NH3+])c1 ZINC000361626340 445855096 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/nfs/dbraw/zinc/12/73/99/446127399.db2.gz RCZJXMIGKPLBOW-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366284707 446127403 /nfs/dbraw/zinc/12/74/03/446127403.db2.gz RCZJXMIGKPLBOW-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc(OC)c1OC ZINC000351571891 446169991 /nfs/dbraw/zinc/16/99/91/446169991.db2.gz BZHAZPRLXQGLJI-DOMZBBRYSA-N 2 2 338.448 1.818 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc(OC)c1OC ZINC000351571891 446169994 /nfs/dbraw/zinc/16/99/94/446169994.db2.gz BZHAZPRLXQGLJI-DOMZBBRYSA-N 2 2 338.448 1.818 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000351581637 446178944 /nfs/dbraw/zinc/17/89/44/446178944.db2.gz MAEFOIFWDLFJBZ-INIZCTEOSA-N 2 2 333.480 1.936 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000351581637 446178950 /nfs/dbraw/zinc/17/89/50/446178950.db2.gz MAEFOIFWDLFJBZ-INIZCTEOSA-N 2 2 333.480 1.936 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cnn(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370158172 446185863 /nfs/dbraw/zinc/18/58/63/446185863.db2.gz BPJGBRSOAGKTOX-OAHLLOKOSA-N 2 2 342.447 1.421 20 0 EDADLP Cc1ccc(NCCCNC(=O)NC[C@H]2CCn3cc[nH+]c3C2)[nH+]c1 ZINC000370173015 446188215 /nfs/dbraw/zinc/18/82/15/446188215.db2.gz MDOGBPYXMGEZMI-HNNXBMFYSA-N 2 2 342.447 1.950 20 0 EDADLP CC(C)[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000359312016 446143188 /nfs/dbraw/zinc/14/31/88/446143188.db2.gz OMVCYHYMBFPWHR-MJGOQNOKSA-N 2 2 346.475 1.301 20 0 EDADLP C[C@@H]1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C[C@H]1n1cc[nH+]c1 ZINC000370229575 446195825 /nfs/dbraw/zinc/19/58/25/446195825.db2.gz CGJDYMQDSKXHAT-OWCLPIDISA-N 2 2 342.447 2.352 20 0 EDADLP Cc1nnc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)o1 ZINC000373412132 446206118 /nfs/dbraw/zinc/20/61/18/446206118.db2.gz KUSQQPUWFONUNX-STQMWFEESA-N 2 2 349.414 1.283 20 0 EDADLP Cc1nnc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)o1 ZINC000373412132 446206124 /nfs/dbraw/zinc/20/61/24/446206124.db2.gz KUSQQPUWFONUNX-STQMWFEESA-N 2 2 349.414 1.283 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)nn1 ZINC000370285973 446214266 /nfs/dbraw/zinc/21/42/66/446214266.db2.gz RHAJUVLDWFKGKH-HOCLYGCPSA-N 2 2 343.431 1.490 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nn1 ZINC000370285973 446214269 /nfs/dbraw/zinc/21/42/69/446214269.db2.gz RHAJUVLDWFKGKH-HOCLYGCPSA-N 2 2 343.431 1.490 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CCCO1 ZINC000373479867 446231073 /nfs/dbraw/zinc/23/10/73/446231073.db2.gz MKTNOCNVMVLQGB-OAHLLOKOSA-N 2 2 344.463 1.468 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CCCO1 ZINC000373479867 446231076 /nfs/dbraw/zinc/23/10/76/446231076.db2.gz MKTNOCNVMVLQGB-OAHLLOKOSA-N 2 2 344.463 1.468 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc[nH+]1 ZINC000365496167 446231913 /nfs/dbraw/zinc/23/19/13/446231913.db2.gz UHAXONHTWQIRJW-PYTWLRIVSA-N 2 2 331.464 1.890 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000373560649 446261342 /nfs/dbraw/zinc/26/13/42/446261342.db2.gz GRNVOBWAMUILLC-QGZVFWFLSA-N 2 2 341.459 1.776 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000373560649 446261346 /nfs/dbraw/zinc/26/13/46/446261346.db2.gz GRNVOBWAMUILLC-QGZVFWFLSA-N 2 2 341.459 1.776 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366582757 446268414 /nfs/dbraw/zinc/26/84/14/446268414.db2.gz LTABXEQQBULIJV-MRXNPFEDSA-N 2 2 328.416 1.246 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC000366654671 446296177 /nfs/dbraw/zinc/29/61/77/446296177.db2.gz PUBWHAFZRJEHKN-AWEZNQCLSA-N 2 2 330.436 1.965 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC000366654671 446296179 /nfs/dbraw/zinc/29/61/79/446296179.db2.gz PUBWHAFZRJEHKN-AWEZNQCLSA-N 2 2 330.436 1.965 20 0 EDADLP C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000365613144 446274366 /nfs/dbraw/zinc/27/43/66/446274366.db2.gz AGVYXIJPVOGPAY-AWEZNQCLSA-N 2 2 343.431 1.097 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)CCC2 ZINC000366688042 446311137 /nfs/dbraw/zinc/31/11/37/446311137.db2.gz NHOHIJQGFOMUMD-OAGGEKHMSA-N 2 2 349.479 1.477 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365764546 446333332 /nfs/dbraw/zinc/33/33/32/446333332.db2.gz LJPWMUDYQYXUJR-MRXNPFEDSA-N 2 2 342.443 1.957 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000365764546 446333335 /nfs/dbraw/zinc/33/33/35/446333335.db2.gz LJPWMUDYQYXUJR-MRXNPFEDSA-N 2 2 342.443 1.957 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1c1cc[nH]n1)c1ccccc1 ZINC000370601612 446351385 /nfs/dbraw/zinc/35/13/85/446351385.db2.gz KMOUHEUIANOXJI-ROUUACIJSA-N 2 2 341.459 1.966 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CCSCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376151966 446356814 /nfs/dbraw/zinc/35/68/14/446356814.db2.gz SPMKKKYPKURNEX-CQSZACIVSA-N 2 2 340.537 1.692 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000417760102 446371838 /nfs/dbraw/zinc/37/18/38/446371838.db2.gz FLIFBLGFPOPHAZ-MRXNPFEDSA-N 3 2 339.528 1.234 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000366843208 446377808 /nfs/dbraw/zinc/37/78/08/446377808.db2.gz OGJSGSIQGHNJSI-HZPDHXFCSA-N 2 2 338.411 1.537 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)C1 ZINC000366843208 446377813 /nfs/dbraw/zinc/37/78/13/446377813.db2.gz OGJSGSIQGHNJSI-HZPDHXFCSA-N 2 2 338.411 1.537 20 0 EDADLP C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374909842 446452372 /nfs/dbraw/zinc/45/23/72/446452372.db2.gz IZYCIXLVXJTNTG-WMZOPIPTSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374909842 446452375 /nfs/dbraw/zinc/45/23/75/446452375.db2.gz IZYCIXLVXJTNTG-WMZOPIPTSA-N 2 2 331.460 1.613 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1C ZINC000374896350 446443425 /nfs/dbraw/zinc/44/34/25/446443425.db2.gz KOJKUGPDQUMWQU-RDJZCZTQSA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1C ZINC000374896350 446443430 /nfs/dbraw/zinc/44/34/30/446443430.db2.gz KOJKUGPDQUMWQU-RDJZCZTQSA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1C ZINC000374896350 446443437 /nfs/dbraw/zinc/44/34/37/446443437.db2.gz KOJKUGPDQUMWQU-RDJZCZTQSA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1C ZINC000374896350 446443445 /nfs/dbraw/zinc/44/34/45/446443445.db2.gz KOJKUGPDQUMWQU-RDJZCZTQSA-N 2 2 334.464 1.589 20 0 EDADLP CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000370728473 446405835 /nfs/dbraw/zinc/40/58/35/446405835.db2.gz AYNMTUFFMSGURJ-GOSISDBHSA-N 2 2 347.507 1.046 20 0 EDADLP CN(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000370728473 446405841 /nfs/dbraw/zinc/40/58/41/446405841.db2.gz AYNMTUFFMSGURJ-GOSISDBHSA-N 2 2 347.507 1.046 20 0 EDADLP CN(C)CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000370728473 446405846 /nfs/dbraw/zinc/40/58/46/446405846.db2.gz AYNMTUFFMSGURJ-GOSISDBHSA-N 2 2 347.507 1.046 20 0 EDADLP CN(C)CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000370728473 446405854 /nfs/dbraw/zinc/40/58/54/446405854.db2.gz AYNMTUFFMSGURJ-GOSISDBHSA-N 2 2 347.507 1.046 20 0 EDADLP CN(CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)CC[NH+](C)C ZINC000370728473 446405857 /nfs/dbraw/zinc/40/58/57/446405857.db2.gz AYNMTUFFMSGURJ-GOSISDBHSA-N 2 2 347.507 1.046 20 0 EDADLP CN(CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)CC[NH+](C)C ZINC000370728473 446405863 /nfs/dbraw/zinc/40/58/63/446405863.db2.gz AYNMTUFFMSGURJ-GOSISDBHSA-N 2 2 347.507 1.046 20 0 EDADLP COc1cccc([C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c2[nH+]ccn2C)c1 ZINC000370764302 446423618 /nfs/dbraw/zinc/42/36/18/446423618.db2.gz XIBZERPENOFFCF-FMKPAKJESA-N 2 2 328.416 1.762 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCc2cccc3cccnc32)CC[C@H]1[NH3+] ZINC000420292682 446456320 /nfs/dbraw/zinc/45/63/20/446456320.db2.gz PVLIXLAGNPVBSO-RHSMWYFYSA-N 2 2 326.444 1.563 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCc2cccc3cccnc32)CC[C@H]1[NH3+] ZINC000420292682 446456328 /nfs/dbraw/zinc/45/63/28/446456328.db2.gz PVLIXLAGNPVBSO-RHSMWYFYSA-N 2 2 326.444 1.563 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000420295839 446459076 /nfs/dbraw/zinc/45/90/76/446459076.db2.gz WEEVXWIDNNNPTJ-HOTGVXAUSA-N 2 2 347.459 1.642 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000420295839 446459086 /nfs/dbraw/zinc/45/90/86/446459086.db2.gz WEEVXWIDNNNPTJ-HOTGVXAUSA-N 2 2 347.459 1.642 20 0 EDADLP CN(C(=O)COCC(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370819441 446459610 /nfs/dbraw/zinc/45/96/10/446459610.db2.gz KJKNJSIJHQJZCD-ZDUSSCGKSA-N 2 2 337.386 1.192 20 0 EDADLP CN(C(=O)COCC(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370819441 446459612 /nfs/dbraw/zinc/45/96/12/446459612.db2.gz KJKNJSIJHQJZCD-ZDUSSCGKSA-N 2 2 337.386 1.192 20 0 EDADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000367013544 446461419 /nfs/dbraw/zinc/46/14/19/446461419.db2.gz AKJUWYFDWLJJCY-HOTGVXAUSA-N 2 2 331.526 1.464 20 0 EDADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000367013544 446461423 /nfs/dbraw/zinc/46/14/23/446461423.db2.gz AKJUWYFDWLJJCY-HOTGVXAUSA-N 2 2 331.526 1.464 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000367013544 446461430 /nfs/dbraw/zinc/46/14/30/446461430.db2.gz AKJUWYFDWLJJCY-HOTGVXAUSA-N 2 2 331.526 1.464 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000367013544 446461434 /nfs/dbraw/zinc/46/14/34/446461434.db2.gz AKJUWYFDWLJJCY-HOTGVXAUSA-N 2 2 331.526 1.464 20 0 EDADLP Cc1nc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000370837519 446471151 /nfs/dbraw/zinc/47/11/51/446471151.db2.gz CVHNIOAUBNYICH-MRXNPFEDSA-N 2 2 336.505 1.621 20 0 EDADLP Cc1nc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000370837519 446471159 /nfs/dbraw/zinc/47/11/59/446471159.db2.gz CVHNIOAUBNYICH-MRXNPFEDSA-N 2 2 336.505 1.621 20 0 EDADLP CCCCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837129 446471229 /nfs/dbraw/zinc/47/12/29/446471229.db2.gz CIZZWRZSODVASG-NVXWUHKLSA-N 2 2 325.497 1.819 20 0 EDADLP CCCCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837129 446471232 /nfs/dbraw/zinc/47/12/32/446471232.db2.gz CIZZWRZSODVASG-NVXWUHKLSA-N 2 2 325.497 1.819 20 0 EDADLP CN(C(=O)c1ccnc(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370846049 446478151 /nfs/dbraw/zinc/47/81/51/446478151.db2.gz WJTSPNFPDKKTSS-OAHLLOKOSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1ccnc(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370846049 446478158 /nfs/dbraw/zinc/47/81/58/446478158.db2.gz WJTSPNFPDKKTSS-OAHLLOKOSA-N 2 2 336.867 1.976 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314391 446480538 /nfs/dbraw/zinc/48/05/38/446480538.db2.gz VSWFSJHRKWYEQF-MJGOQNOKSA-N 3 2 330.476 1.091 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314391 446480541 /nfs/dbraw/zinc/48/05/41/446480541.db2.gz VSWFSJHRKWYEQF-MJGOQNOKSA-N 3 2 330.476 1.091 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423319280 446487496 /nfs/dbraw/zinc/48/74/96/446487496.db2.gz FAUMFTBXGLFALL-INIZCTEOSA-N 2 2 334.464 1.714 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc3nccn32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375014716 446513500 /nfs/dbraw/zinc/51/35/00/446513500.db2.gz BPBJNWIZUBNXBO-AEFFLSMTSA-N 2 2 327.476 1.792 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc3nccn32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375014716 446513506 /nfs/dbraw/zinc/51/35/06/446513506.db2.gz BPBJNWIZUBNXBO-AEFFLSMTSA-N 2 2 327.476 1.792 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423533135 446564318 /nfs/dbraw/zinc/56/43/18/446564318.db2.gz WVPGILSGLNDWHZ-IEBWSBKVSA-N 3 2 346.519 1.337 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423533135 446564324 /nfs/dbraw/zinc/56/43/24/446564324.db2.gz WVPGILSGLNDWHZ-IEBWSBKVSA-N 3 2 346.519 1.337 20 0 EDADLP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423411211 446523486 /nfs/dbraw/zinc/52/34/86/446523486.db2.gz TYTKJCCJTDBJJD-AQUOVQTQSA-N 2 2 329.213 1.745 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411413650 446529005 /nfs/dbraw/zinc/52/90/05/446529005.db2.gz HJQLGGDMBGANRW-CABCVRRESA-N 2 2 341.415 1.358 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411413650 446529007 /nfs/dbraw/zinc/52/90/07/446529007.db2.gz HJQLGGDMBGANRW-CABCVRRESA-N 2 2 341.415 1.358 20 0 EDADLP COC[C@]1(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CCC[NH2+]1 ZINC000423425504 446530747 /nfs/dbraw/zinc/53/07/47/446530747.db2.gz MHICMXFDFFQIEY-XJKSGUPXSA-N 2 2 341.477 1.477 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c(C)c1 ZINC000420354434 446533592 /nfs/dbraw/zinc/53/35/92/446533592.db2.gz CZMQQXRGOGIJCY-OAHLLOKOSA-N 2 2 348.491 1.630 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000420355662 446536452 /nfs/dbraw/zinc/53/64/52/446536452.db2.gz CEKBWLITPVPIJF-SNUQEOBHSA-N 2 2 346.500 1.931 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(OC)cc1Cl ZINC000420364259 446544267 /nfs/dbraw/zinc/54/42/67/446544267.db2.gz IMGSMVLXLIWUIZ-JQWIXIFHSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(OC)cc1Cl ZINC000420364259 446544274 /nfs/dbraw/zinc/54/42/74/446544274.db2.gz IMGSMVLXLIWUIZ-JQWIXIFHSA-N 2 2 341.839 1.965 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000420391717 446567675 /nfs/dbraw/zinc/56/76/75/446567675.db2.gz UCILJOQRHFTMBD-AWEZNQCLSA-N 2 2 332.448 1.682 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000420391717 446567677 /nfs/dbraw/zinc/56/76/77/446567677.db2.gz UCILJOQRHFTMBD-AWEZNQCLSA-N 2 2 332.448 1.682 20 0 EDADLP [NH3+]C[C@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)C1CCCCC1 ZINC000420371435 446549380 /nfs/dbraw/zinc/54/93/80/446549380.db2.gz PKYIGWWKAWGKIG-KRWDZBQOSA-N 2 2 337.439 1.818 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000420373005 446550556 /nfs/dbraw/zinc/55/05/56/446550556.db2.gz MRMZFXLSAZMRDN-DZGCQCFKSA-N 2 2 333.398 1.863 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000420373005 446550565 /nfs/dbraw/zinc/55/05/65/446550565.db2.gz MRMZFXLSAZMRDN-DZGCQCFKSA-N 2 2 333.398 1.863 20 0 EDADLP COCc1ccc(CNC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420376459 446554846 /nfs/dbraw/zinc/55/48/46/446554846.db2.gz VBSGEWCDCFQIMW-SFHVURJKSA-N 2 2 333.476 1.946 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000418605322 446613188 /nfs/dbraw/zinc/61/31/88/446613188.db2.gz SVZXYDIEHDDMGI-OAHLLOKOSA-N 2 2 344.463 1.160 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000420395259 446570009 /nfs/dbraw/zinc/57/00/09/446570009.db2.gz STODCGMGCAXTNQ-MRXNPFEDSA-N 2 2 325.403 1.997 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000420395259 446570015 /nfs/dbraw/zinc/57/00/15/446570015.db2.gz STODCGMGCAXTNQ-MRXNPFEDSA-N 2 2 325.403 1.997 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)C1 ZINC000376554286 446573186 /nfs/dbraw/zinc/57/31/86/446573186.db2.gz SNBKZMAFZPAHPG-RBUKOAKNSA-N 2 2 339.524 1.266 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)C1 ZINC000376554286 446573194 /nfs/dbraw/zinc/57/31/94/446573194.db2.gz SNBKZMAFZPAHPG-RBUKOAKNSA-N 2 2 339.524 1.266 20 0 EDADLP COCC[NH2+]CCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000418509872 446573527 /nfs/dbraw/zinc/57/35/27/446573527.db2.gz OTSJIRKUGOTLJK-CQSZACIVSA-N 2 2 340.493 1.372 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000376560115 446576478 /nfs/dbraw/zinc/57/64/78/446576478.db2.gz APWCNOFCNDBQTL-HZPDHXFCSA-N 2 2 336.480 1.119 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCN1C ZINC000433466755 446578769 /nfs/dbraw/zinc/57/87/69/446578769.db2.gz NUJMMWIFGLRDEZ-IRXDYDNUSA-N 2 2 345.491 1.642 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCN1C ZINC000433466755 446578773 /nfs/dbraw/zinc/57/87/73/446578773.db2.gz NUJMMWIFGLRDEZ-IRXDYDNUSA-N 2 2 345.491 1.642 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000423612641 446604540 /nfs/dbraw/zinc/60/45/40/446604540.db2.gz OIKSMOUTEOBKTI-WMZOPIPTSA-N 2 2 347.459 1.277 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000423612641 446604546 /nfs/dbraw/zinc/60/45/46/446604546.db2.gz OIKSMOUTEOBKTI-WMZOPIPTSA-N 2 2 347.459 1.277 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)C1 ZINC000423613098 446605254 /nfs/dbraw/zinc/60/52/54/446605254.db2.gz OPPNCIYMOVMFGI-DLBZAZTESA-N 2 2 335.423 1.408 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)C1 ZINC000423613098 446605265 /nfs/dbraw/zinc/60/52/65/446605265.db2.gz OPPNCIYMOVMFGI-DLBZAZTESA-N 2 2 335.423 1.408 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375150223 446609439 /nfs/dbraw/zinc/60/94/39/446609439.db2.gz QIUAMSHWGWRGBY-UHFFFAOYSA-N 2 2 330.436 1.956 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1ccnc(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000376689342 446653416 /nfs/dbraw/zinc/65/34/16/446653416.db2.gz MRXQCPDOGJYYBA-CQSZACIVSA-N 2 2 343.406 1.739 20 0 EDADLP C[C@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)S(C)(=O)=O ZINC000411719093 446656200 /nfs/dbraw/zinc/65/62/00/446656200.db2.gz KLIHKJLBOYWWLB-CQSZACIVSA-N 2 2 333.457 1.790 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1nnc2ccccn21 ZINC000368128777 446658015 /nfs/dbraw/zinc/65/80/15/446658015.db2.gz JUFYCKYGLIXIEW-BZUAXINKSA-N 2 2 329.448 1.708 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1nnc2ccccn21 ZINC000368128777 446658020 /nfs/dbraw/zinc/65/80/20/446658020.db2.gz JUFYCKYGLIXIEW-BZUAXINKSA-N 2 2 329.448 1.708 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411753132 446668842 /nfs/dbraw/zinc/66/88/42/446668842.db2.gz FIRARPWWDPZNGP-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411753132 446668845 /nfs/dbraw/zinc/66/88/45/446668845.db2.gz FIRARPWWDPZNGP-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP CN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368152188 446672001 /nfs/dbraw/zinc/67/20/01/446672001.db2.gz MWOVNZILXFBZIK-NWDGAFQWSA-N 2 2 325.350 1.514 20 0 EDADLP CN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368152188 446672010 /nfs/dbraw/zinc/67/20/10/446672010.db2.gz MWOVNZILXFBZIK-NWDGAFQWSA-N 2 2 325.350 1.514 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+](C)Cc3ncccn3)C2)C1 ZINC000376651119 446629293 /nfs/dbraw/zinc/62/92/93/446629293.db2.gz JRKLPEGMIPNIJP-CVEARBPZSA-N 2 2 346.479 1.177 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+](C)Cc3ncccn3)C2)C1 ZINC000376651119 446629299 /nfs/dbraw/zinc/62/92/99/446629299.db2.gz JRKLPEGMIPNIJP-CVEARBPZSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)C1 ZINC000376651119 446629306 /nfs/dbraw/zinc/62/93/06/446629306.db2.gz JRKLPEGMIPNIJP-CVEARBPZSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)C1 ZINC000376651119 446629309 /nfs/dbraw/zinc/62/93/09/446629309.db2.gz JRKLPEGMIPNIJP-CVEARBPZSA-N 2 2 346.479 1.177 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000423760137 446689654 /nfs/dbraw/zinc/68/96/54/446689654.db2.gz JDOOBBMEJSOVIP-KRXQYRFLSA-N 2 2 341.496 1.087 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000423760137 446689657 /nfs/dbraw/zinc/68/96/57/446689657.db2.gz JDOOBBMEJSOVIP-KRXQYRFLSA-N 2 2 341.496 1.087 20 0 EDADLP c1ccc(N2CCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)CC2)[nH+]c1 ZINC000435348074 446691806 /nfs/dbraw/zinc/69/18/06/446691806.db2.gz AJADKBRCGWVKCB-HNNXBMFYSA-N 2 2 340.431 1.789 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423770898 446696525 /nfs/dbraw/zinc/69/65/25/446696525.db2.gz HSDKCVSKKFNQNB-GOSISDBHSA-N 2 2 341.459 1.644 20 0 EDADLP CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371229917 446704947 /nfs/dbraw/zinc/70/49/47/446704947.db2.gz NWGPTDBFAWMFRM-QGZVFWFLSA-N 2 2 334.512 1.597 20 0 EDADLP CCCn1c(C)nnc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371229917 446704953 /nfs/dbraw/zinc/70/49/53/446704953.db2.gz NWGPTDBFAWMFRM-QGZVFWFLSA-N 2 2 334.512 1.597 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280649 446740171 /nfs/dbraw/zinc/74/01/71/446740171.db2.gz RJVLTRXWCWQAJW-WMZOPIPTSA-N 3 2 330.476 1.361 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280649 446740176 /nfs/dbraw/zinc/74/01/76/446740176.db2.gz RJVLTRXWCWQAJW-WMZOPIPTSA-N 3 2 330.476 1.361 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)N[C@@H](C)C[NH+](C)C)c2)cc[nH+]1 ZINC000436793525 446736957 /nfs/dbraw/zinc/73/69/57/446736957.db2.gz SBOYQFHMUZGQMM-ZDUSSCGKSA-N 2 2 327.432 2.077 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C[C@@H]1C ZINC000423905817 446755597 /nfs/dbraw/zinc/75/55/97/446755597.db2.gz ZLKUUYBCFANKLV-HOCLYGCPSA-N 2 2 339.480 1.380 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000423919418 446768787 /nfs/dbraw/zinc/76/87/87/446768787.db2.gz QKNLYQGUNQYTQX-KKUMJFAQSA-N 2 2 338.427 1.320 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000423919418 446768794 /nfs/dbraw/zinc/76/87/94/446768794.db2.gz QKNLYQGUNQYTQX-KKUMJFAQSA-N 2 2 338.427 1.320 20 0 EDADLP Cc1cc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c(C)c[nH+]1 ZINC000371322161 446773716 /nfs/dbraw/zinc/77/37/16/446773716.db2.gz WPTKDLYYYLYBCY-UHFFFAOYSA-N 2 2 345.491 1.612 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3COCC[NH2+]3)ccc2n1C1CC1 ZINC000423924490 446775307 /nfs/dbraw/zinc/77/53/07/446775307.db2.gz AEMKWZQHNUGPMD-HNNXBMFYSA-N 2 2 328.416 1.538 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]([NH3+])CC(F)F ZINC000423929029 446780547 /nfs/dbraw/zinc/78/05/47/446780547.db2.gz ICCOGCFLJHTHGV-YCPHGPKFSA-N 2 2 341.402 1.499 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]([NH3+])CC(F)F ZINC000423929029 446780554 /nfs/dbraw/zinc/78/05/54/446780554.db2.gz ICCOGCFLJHTHGV-YCPHGPKFSA-N 2 2 341.402 1.499 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CCC[NH2+]C2)on1 ZINC000423930391 446782613 /nfs/dbraw/zinc/78/26/13/446782613.db2.gz VXKUCLOOUINGOR-ILXRZTDVSA-N 2 2 338.427 1.353 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CCC[NH2+]C2)on1 ZINC000423930391 446782615 /nfs/dbraw/zinc/78/26/15/446782615.db2.gz VXKUCLOOUINGOR-ILXRZTDVSA-N 2 2 338.427 1.353 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423934960 446787892 /nfs/dbraw/zinc/78/78/92/446787892.db2.gz XNLRFXXKTAGIBH-SPUZQDLCSA-N 2 2 333.476 1.890 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423934960 446787898 /nfs/dbraw/zinc/78/78/98/446787898.db2.gz XNLRFXXKTAGIBH-SPUZQDLCSA-N 2 2 333.476 1.890 20 0 EDADLP CCOC(=O)CCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371342053 446789795 /nfs/dbraw/zinc/78/97/95/446789795.db2.gz UKRUMWGAMVPTAD-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP CCOC(=O)CCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371342053 446789802 /nfs/dbraw/zinc/78/98/02/446789802.db2.gz UKRUMWGAMVPTAD-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000412033645 446794897 /nfs/dbraw/zinc/79/48/97/446794897.db2.gz DGYHLGOAKYUXCG-CABCVRRESA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000412033645 446794903 /nfs/dbraw/zinc/79/49/03/446794903.db2.gz DGYHLGOAKYUXCG-CABCVRRESA-N 2 2 337.489 1.095 20 0 EDADLP Cc1ccn2cc(CNC(=O)Nc3ccn(CC[NH+](C)C)n3)[nH+]c2c1 ZINC000438705647 446797377 /nfs/dbraw/zinc/79/73/77/446797377.db2.gz WKJFXOWPYQWLMT-UHFFFAOYSA-N 2 2 341.419 1.723 20 0 EDADLP O=C(NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1)C1CC[NH2+]CC1 ZINC000368403027 446839939 /nfs/dbraw/zinc/83/99/39/446839939.db2.gz PTSGFCIBKCCMDD-UHFFFAOYSA-N 2 2 327.432 1.648 20 0 EDADLP CS[C@@H]1CN(Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1[NH+](C)C ZINC000420928996 446899118 /nfs/dbraw/zinc/89/91/18/446899118.db2.gz DHMNGSCJDLQGEX-RTBURBONSA-N 2 2 349.544 1.996 20 0 EDADLP CS[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1N(C)C ZINC000420928996 446899124 /nfs/dbraw/zinc/89/91/24/446899124.db2.gz DHMNGSCJDLQGEX-RTBURBONSA-N 2 2 349.544 1.996 20 0 EDADLP CS[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1N(C)C ZINC000420928996 446899130 /nfs/dbraw/zinc/89/91/30/446899130.db2.gz DHMNGSCJDLQGEX-RTBURBONSA-N 2 2 349.544 1.996 20 0 EDADLP C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000412098667 446858938 /nfs/dbraw/zinc/85/89/38/446858938.db2.gz VTVNMYKCSPSQIP-MJGOQNOKSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000412098667 446858943 /nfs/dbraw/zinc/85/89/43/446858943.db2.gz VTVNMYKCSPSQIP-MJGOQNOKSA-N 2 2 345.487 1.424 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)c1ccccc1 ZINC000419005974 446860979 /nfs/dbraw/zinc/86/09/79/446860979.db2.gz PRSOQYDSKRGVJP-JKSUJKDBSA-N 2 2 346.475 1.228 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)c1ccccc1 ZINC000419005974 446860981 /nfs/dbraw/zinc/86/09/81/446860981.db2.gz PRSOQYDSKRGVJP-JKSUJKDBSA-N 2 2 346.475 1.228 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CCN1C1CC[NH+](C)CC1 ZINC000371454632 446867512 /nfs/dbraw/zinc/86/75/12/446867512.db2.gz ATOCOOMDHFWNMR-HNNXBMFYSA-N 2 2 330.476 1.386 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CCN1C1CC[NH+](C)CC1 ZINC000371454632 446867515 /nfs/dbraw/zinc/86/75/15/446867515.db2.gz ATOCOOMDHFWNMR-HNNXBMFYSA-N 2 2 330.476 1.386 20 0 EDADLP C[C@H]1CN(Cc2cccc(C(N)=O)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371454632 446867518 /nfs/dbraw/zinc/86/75/18/446867518.db2.gz ATOCOOMDHFWNMR-HNNXBMFYSA-N 2 2 330.476 1.386 20 0 EDADLP C[C@H]1CN(Cc2cccc(C(N)=O)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371454632 446867521 /nfs/dbraw/zinc/86/75/21/446867521.db2.gz ATOCOOMDHFWNMR-HNNXBMFYSA-N 2 2 330.476 1.386 20 0 EDADLP CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420904237 446881652 /nfs/dbraw/zinc/88/16/52/446881652.db2.gz PEFISSOXXRUFJB-LJQANCHMSA-N 2 2 331.460 1.619 20 0 EDADLP CCc1nc(CN2CCC[C@@H]([N@H+](C)CCCn3cc[nH+]c3)C2)no1 ZINC000371479332 446882160 /nfs/dbraw/zinc/88/21/60/446882160.db2.gz FUFZYVKXEOGDJO-OAHLLOKOSA-N 2 2 332.452 1.815 20 0 EDADLP CCc1nc(CN2CCC[C@@H]([N@@H+](C)CCCn3cc[nH+]c3)C2)no1 ZINC000371479332 446882166 /nfs/dbraw/zinc/88/21/66/446882166.db2.gz FUFZYVKXEOGDJO-OAHLLOKOSA-N 2 2 332.452 1.815 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000377080169 446907785 /nfs/dbraw/zinc/90/77/85/446907785.db2.gz FDFFBGUBYLJQTQ-OAHLLOKOSA-N 2 2 347.463 1.003 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(OC)c1OC ZINC000442764583 446957167 /nfs/dbraw/zinc/95/71/67/446957167.db2.gz CTFSRUNLCUXVAN-NEPJUHHUSA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(OC)c1OC ZINC000442764583 446957170 /nfs/dbraw/zinc/95/71/70/446957170.db2.gz CTFSRUNLCUXVAN-NEPJUHHUSA-N 2 2 337.420 1.320 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C[C@@H]1C ZINC000371810515 446966035 /nfs/dbraw/zinc/96/60/35/446966035.db2.gz ODCHGCRBWNDKLT-TWOQFEAHSA-N 2 2 345.487 1.303 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C[C@@H]1C ZINC000371810515 446966040 /nfs/dbraw/zinc/96/60/40/446966040.db2.gz ODCHGCRBWNDKLT-TWOQFEAHSA-N 2 2 345.487 1.303 20 0 EDADLP CN(C(=O)C[C@@H]1CSCC[NH2+]1)C1CCN(c2cccc[nH+]2)CC1 ZINC000372092874 446996618 /nfs/dbraw/zinc/99/66/18/446996618.db2.gz YROIDQUNTQPUOD-CQSZACIVSA-N 2 2 334.489 1.604 20 0 EDADLP COC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000372322114 447039722 /nfs/dbraw/zinc/03/97/22/447039722.db2.gz VTBFQRMVUPVVDC-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP COC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000372322114 447039729 /nfs/dbraw/zinc/03/97/29/447039729.db2.gz VTBFQRMVUPVVDC-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H](O)CNc1cc(N(C)CC(C)(C)C[NH+]2CCOCC2)nc[nH+]1 ZINC000413195068 447061521 /nfs/dbraw/zinc/06/15/21/447061521.db2.gz CATBBFCMMLEJKC-CQSZACIVSA-N 2 2 337.468 1.064 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413145305 447031775 /nfs/dbraw/zinc/03/17/75/447031775.db2.gz ZMTLWDASEFDIPS-INIZCTEOSA-N 2 2 330.480 1.657 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413145305 447031781 /nfs/dbraw/zinc/03/17/81/447031781.db2.gz ZMTLWDASEFDIPS-INIZCTEOSA-N 2 2 330.480 1.657 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377395814 447109116 /nfs/dbraw/zinc/10/91/16/447109116.db2.gz ASNKRBZQYYLUSM-SFHVURJKSA-N 2 2 333.476 1.534 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377395814 447109121 /nfs/dbraw/zinc/10/91/21/447109121.db2.gz ASNKRBZQYYLUSM-SFHVURJKSA-N 2 2 333.476 1.534 20 0 EDADLP COC(=O)[C@@](C)(C[NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000425333193 447122000 /nfs/dbraw/zinc/12/20/00/447122000.db2.gz DVBGDPHVOLYNTK-SFHVURJKSA-N 2 2 330.432 1.707 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000377334010 447074057 /nfs/dbraw/zinc/07/40/57/447074057.db2.gz LVGSTRLEIQPQJO-MRXNPFEDSA-N 2 2 349.479 1.623 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H]3C(C)(C)O)C2)CC1 ZINC000368822172 447135603 /nfs/dbraw/zinc/13/56/03/447135603.db2.gz KCFKPDXLUPVLTP-GDBMZVCRSA-N 2 2 338.496 1.100 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H]3C(C)(C)O)C2)CC1 ZINC000368822172 447135607 /nfs/dbraw/zinc/13/56/07/447135607.db2.gz KCFKPDXLUPVLTP-GDBMZVCRSA-N 2 2 338.496 1.100 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CCO1 ZINC000368850493 447158806 /nfs/dbraw/zinc/15/88/06/447158806.db2.gz KRJHMPILSKZCFQ-INIZCTEOSA-N 2 2 346.475 1.525 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CCO1 ZINC000368850493 447158812 /nfs/dbraw/zinc/15/88/12/447158812.db2.gz KRJHMPILSKZCFQ-INIZCTEOSA-N 2 2 346.475 1.525 20 0 EDADLP Cc1cc(NC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cn2cc[nH+]c12 ZINC000455615634 447185674 /nfs/dbraw/zinc/18/56/74/447185674.db2.gz FKTZCDIHSBVUJG-AWEZNQCLSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1cc(NC(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cn2cc[nH+]c12 ZINC000455615634 447185676 /nfs/dbraw/zinc/18/56/76/447185676.db2.gz FKTZCDIHSBVUJG-AWEZNQCLSA-N 2 2 331.420 1.563 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000375994683 447198992 /nfs/dbraw/zinc/19/89/92/447198992.db2.gz RTBYNOQCXJWBFS-WBVHZDCISA-N 2 2 342.443 1.873 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000372647823 447204976 /nfs/dbraw/zinc/20/49/76/447204976.db2.gz FFFVHFLNRPJRIV-KGLIPLIRSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCc3sccc3C2)C[C@H]1C ZINC000372647823 447204981 /nfs/dbraw/zinc/20/49/81/447204981.db2.gz FFFVHFLNRPJRIV-KGLIPLIRSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC000372647823 447204986 /nfs/dbraw/zinc/20/49/86/447204986.db2.gz FFFVHFLNRPJRIV-KGLIPLIRSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC000372647823 447204990 /nfs/dbraw/zinc/20/49/90/447204990.db2.gz FFFVHFLNRPJRIV-KGLIPLIRSA-N 2 2 337.489 1.020 20 0 EDADLP CCC(CC)[C@H](C(=O)NCc1c[nH+]c2n1CCCC2)[NH+]1CCOCC1 ZINC000375955281 447172465 /nfs/dbraw/zinc/17/24/65/447172465.db2.gz VZXXARQDPQTZTM-GOSISDBHSA-N 2 2 348.491 1.973 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)C[N@@H+]1C1CC1 ZINC000372781299 447283653 /nfs/dbraw/zinc/28/36/53/447283653.db2.gz MXTTZEIWDAQNAB-UJEKJILKSA-N 2 2 341.521 1.548 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)C[N@H+]1C1CC1 ZINC000372781299 447283655 /nfs/dbraw/zinc/28/36/55/447283655.db2.gz MXTTZEIWDAQNAB-UJEKJILKSA-N 2 2 341.521 1.548 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000421814694 447259251 /nfs/dbraw/zinc/25/92/51/447259251.db2.gz ROGBGAXGTLOMTM-QGZVFWFLSA-N 2 2 338.496 1.367 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000421814694 447259253 /nfs/dbraw/zinc/25/92/53/447259253.db2.gz ROGBGAXGTLOMTM-QGZVFWFLSA-N 2 2 338.496 1.367 20 0 EDADLP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000377632828 447259756 /nfs/dbraw/zinc/25/97/56/447259756.db2.gz VUVMMJPCDVCTCC-GDBMZVCRSA-N 2 2 330.407 1.613 20 0 EDADLP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000377632828 447259762 /nfs/dbraw/zinc/25/97/62/447259762.db2.gz VUVMMJPCDVCTCC-GDBMZVCRSA-N 2 2 330.407 1.613 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000369028813 447274205 /nfs/dbraw/zinc/27/42/05/447274205.db2.gz SWSMETYYQHCEPU-QGZVFWFLSA-N 2 2 343.431 1.061 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000369028813 447274210 /nfs/dbraw/zinc/27/42/10/447274210.db2.gz SWSMETYYQHCEPU-QGZVFWFLSA-N 2 2 343.431 1.061 20 0 EDADLP COC(=O)[C@]1(C)CCC[NH+]1CC(C)C[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000426808191 447503948 /nfs/dbraw/zinc/50/39/48/447503948.db2.gz QIYIDFCGXCSVBL-ROUUACIJSA-N 2 2 340.464 1.678 20 0 EDADLP COC(=O)[C@]1(C)CCC[NH+]1CC(C)C[N@@H+]1CCC[C@@]1(C)C(=O)OC ZINC000426808191 447503952 /nfs/dbraw/zinc/50/39/52/447503952.db2.gz QIYIDFCGXCSVBL-ROUUACIJSA-N 2 2 340.464 1.678 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@H](C)S(C)(=O)=O)C1)CCCC2 ZINC000450783433 447574778 /nfs/dbraw/zinc/57/47/78/447574778.db2.gz CGRFCFHBSWYMKT-JSGCOSHPSA-N 2 2 325.478 1.750 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@H](C)S(C)(=O)=O)C1)CCCC2 ZINC000450783433 447574781 /nfs/dbraw/zinc/57/47/81/447574781.db2.gz CGRFCFHBSWYMKT-JSGCOSHPSA-N 2 2 325.478 1.750 20 0 EDADLP CC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCC(F)(F)F ZINC000427285718 447575228 /nfs/dbraw/zinc/57/52/28/447575228.db2.gz YRRZXUYGGYMMSR-LBPRGKRZSA-N 2 2 332.370 1.836 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCC(F)(F)F ZINC000427285718 447575236 /nfs/dbraw/zinc/57/52/36/447575236.db2.gz YRRZXUYGGYMMSR-LBPRGKRZSA-N 2 2 332.370 1.836 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405367403 447611162 /nfs/dbraw/zinc/61/11/62/447611162.db2.gz HGWSBRIBGZXWER-IAQYHMDHSA-N 2 2 341.839 1.583 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405367403 447611166 /nfs/dbraw/zinc/61/11/66/447611166.db2.gz HGWSBRIBGZXWER-IAQYHMDHSA-N 2 2 341.839 1.583 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+]C(C)(C)CN(C)C)CC2)c1 ZINC000459535611 447697964 /nfs/dbraw/zinc/69/79/64/447697964.db2.gz KHVDTGQHVUFHPS-UHFFFAOYSA-N 2 2 346.519 1.569 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416889287 447702803 /nfs/dbraw/zinc/70/28/03/447702803.db2.gz KGDVVFKJSZQYNU-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC1([NH3+])CCC1)c1cccc(F)c1 ZINC000416912451 447706425 /nfs/dbraw/zinc/70/64/25/447706425.db2.gz NKDKBJGNVUTCNJ-CQSZACIVSA-N 2 2 331.395 1.829 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1SC ZINC000459410512 447656382 /nfs/dbraw/zinc/65/63/82/447656382.db2.gz ZHLKQVOKIUSAKE-ZJIFWQFVSA-N 2 2 343.537 1.428 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@H]1SC ZINC000459410512 447656385 /nfs/dbraw/zinc/65/63/85/447656385.db2.gz ZHLKQVOKIUSAKE-ZJIFWQFVSA-N 2 2 343.537 1.428 20 0 EDADLP CC(C)(CC[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000422588580 447658851 /nfs/dbraw/zinc/65/88/51/447658851.db2.gz HQWDLEVSHNOIGL-INIZCTEOSA-N 2 2 334.464 1.314 20 0 EDADLP CC(C)(CC[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000422588580 447658857 /nfs/dbraw/zinc/65/88/57/447658857.db2.gz HQWDLEVSHNOIGL-INIZCTEOSA-N 2 2 334.464 1.314 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000416913840 447707325 /nfs/dbraw/zinc/70/73/25/447707325.db2.gz GGWWTCFLZBALJX-LSDHHAIUSA-N 2 2 331.395 1.781 20 0 EDADLP O=C1CCCN1Cc1ccccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422833272 447763547 /nfs/dbraw/zinc/76/35/47/447763547.db2.gz MAIQAUSYYKGUME-UYAOXDASSA-N 2 2 343.471 1.666 20 0 EDADLP CC(C)CCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000429042975 447723707 /nfs/dbraw/zinc/72/37/07/447723707.db2.gz GVMUSABQQSVZPA-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422773587 447747687 /nfs/dbraw/zinc/74/76/87/447747687.db2.gz YTEXGUNQLAKSQD-RTBURBONSA-N 2 2 344.503 1.846 20 0 EDADLP CN(C)C(=O)c1cccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422784954 447749365 /nfs/dbraw/zinc/74/93/65/447749365.db2.gz QJBGGXMSYSJWHB-ZWKOTPCHSA-N 2 2 331.460 1.288 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@H]3C[NH2+]CC[C@@H]3C)c[nH+]2)CC1 ZINC000496270787 447751692 /nfs/dbraw/zinc/75/16/92/447751692.db2.gz DKVJSGFHXGRYII-ZFWWWQNUSA-N 2 2 333.436 1.380 20 0 EDADLP c1ccc2c(c1)CC[N@@H+](CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422813560 447756401 /nfs/dbraw/zinc/75/64/01/447756401.db2.gz ZOPCKCIHFJBIDO-VAMGGRTRSA-N 2 2 329.488 1.791 20 0 EDADLP c1ccc2c(c1)CC[N@H+](CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422813560 447756406 /nfs/dbraw/zinc/75/64/06/447756406.db2.gz ZOPCKCIHFJBIDO-VAMGGRTRSA-N 2 2 329.488 1.791 20 0 EDADLP CCC(CC)[C@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000422821410 447759398 /nfs/dbraw/zinc/75/93/98/447759398.db2.gz WAHIGVGOVXHOHA-NXHRZFHOSA-N 2 2 327.513 1.480 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC[C@H]1CCC[NH2+]C1 ZINC000422827265 447761901 /nfs/dbraw/zinc/76/19/01/447761901.db2.gz RYBDDGIQNUYJMH-MRXNPFEDSA-N 2 2 326.444 1.980 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)CC[NH2+]CC1 ZINC000422825220 447762100 /nfs/dbraw/zinc/76/21/00/447762100.db2.gz PJWGPDGOYQYLDF-GDBMZVCRSA-N 3 2 343.537 1.335 20 0 EDADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000452086083 447814223 /nfs/dbraw/zinc/81/42/23/447814223.db2.gz LCCJLSDYVXMBSU-AWEZNQCLSA-N 2 2 345.443 1.108 20 0 EDADLP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000496438123 447782558 /nfs/dbraw/zinc/78/25/58/447782558.db2.gz UOFULGBCHCBCJK-OAHLLOKOSA-N 2 2 341.496 1.728 20 0 EDADLP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000496438123 447782562 /nfs/dbraw/zinc/78/25/62/447782562.db2.gz UOFULGBCHCBCJK-OAHLLOKOSA-N 2 2 341.496 1.728 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000430969493 447787923 /nfs/dbraw/zinc/78/79/23/447787923.db2.gz FANAIZARTDEXDE-CABCVRRESA-N 2 2 332.448 1.881 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000430969493 447787925 /nfs/dbraw/zinc/78/79/25/447787925.db2.gz FANAIZARTDEXDE-CABCVRRESA-N 2 2 332.448 1.881 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496631805 447837238 /nfs/dbraw/zinc/83/72/38/447837238.db2.gz IESJTMXCZWLRTO-GDBMZVCRSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496631805 447837239 /nfs/dbraw/zinc/83/72/39/447837239.db2.gz IESJTMXCZWLRTO-GDBMZVCRSA-N 2 2 341.496 1.678 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCO[C@@H](CC)C2)C1 ZINC000488393476 447846736 /nfs/dbraw/zinc/84/67/36/447846736.db2.gz RSRJRDZPNMSGAK-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCO[C@@H](CC)C2)C1 ZINC000488393476 447846738 /nfs/dbraw/zinc/84/67/38/447846738.db2.gz RSRJRDZPNMSGAK-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CC[C@@H](CNC(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)C1 ZINC000488393476 447846740 /nfs/dbraw/zinc/84/67/40/447846740.db2.gz RSRJRDZPNMSGAK-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CC[C@@H](CNC(=O)NCC[N@H+]2CCO[C@@H](CC)C2)C1 ZINC000488393476 447846741 /nfs/dbraw/zinc/84/67/41/447846741.db2.gz RSRJRDZPNMSGAK-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]([NH3+])c3cscn3)c2)CC1 ZINC000569690308 447868269 /nfs/dbraw/zinc/86/82/69/447868269.db2.gz OJNHXCAQNVXVFP-MRXNPFEDSA-N 2 2 345.472 1.529 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000569808983 447895938 /nfs/dbraw/zinc/89/59/38/447895938.db2.gz ZTNOIBWPFKSYDU-CQSZACIVSA-N 2 2 329.366 1.896 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000569808983 447895945 /nfs/dbraw/zinc/89/59/45/447895945.db2.gz ZTNOIBWPFKSYDU-CQSZACIVSA-N 2 2 329.366 1.896 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](OC(F)F)C1)c1ccccc1 ZINC000576055430 447962389 /nfs/dbraw/zinc/96/23/89/447962389.db2.gz TXIVXOUDVJTFJB-LSDHHAIUSA-N 2 2 341.402 1.719 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](OC(F)F)C1)c1ccccc1 ZINC000576055430 447962393 /nfs/dbraw/zinc/96/23/93/447962393.db2.gz TXIVXOUDVJTFJB-LSDHHAIUSA-N 2 2 341.402 1.719 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000497186898 447937452 /nfs/dbraw/zinc/93/74/52/447937452.db2.gz MCENTRHQUDXKNA-CABCVRRESA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000497186898 447937459 /nfs/dbraw/zinc/93/74/59/447937459.db2.gz MCENTRHQUDXKNA-CABCVRRESA-N 2 2 327.469 1.432 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000531045121 448007265 /nfs/dbraw/zinc/00/72/65/448007265.db2.gz JERCCBUMMWWRJB-CQSZACIVSA-N 2 2 341.415 1.269 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000531045121 448007270 /nfs/dbraw/zinc/00/72/70/448007270.db2.gz JERCCBUMMWWRJB-CQSZACIVSA-N 2 2 341.415 1.269 20 0 EDADLP Cc1noc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000553025627 447968118 /nfs/dbraw/zinc/96/81/18/447968118.db2.gz HGDSUTUENPSCNX-OKILXGFUSA-N 2 2 338.452 1.468 20 0 EDADLP Cc1noc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000553025627 447968123 /nfs/dbraw/zinc/96/81/23/447968123.db2.gz HGDSUTUENPSCNX-OKILXGFUSA-N 2 2 338.452 1.468 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)c1 ZINC000576520430 448073373 /nfs/dbraw/zinc/07/33/73/448073373.db2.gz MEJMYAVVTRUCQP-OAHLLOKOSA-N 2 2 325.416 1.498 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCCS(=O)(=O)C(C)C)C2)CC1 ZINC000531833468 448155950 /nfs/dbraw/zinc/15/59/50/448155950.db2.gz XJEMGLAROFURSM-QGZVFWFLSA-N 2 2 345.553 1.300 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCS(=O)(=O)C(C)C)C2)CC1 ZINC000531833468 448155955 /nfs/dbraw/zinc/15/59/55/448155955.db2.gz XJEMGLAROFURSM-QGZVFWFLSA-N 2 2 345.553 1.300 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccncc1OC[C@H]1CCOC1)C1CC1 ZINC000571159433 448113353 /nfs/dbraw/zinc/11/33/53/448113353.db2.gz LLWMRIHXEOIITL-YOEHRIQHSA-N 2 2 335.448 1.042 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccsc2Br)[C@H](C[NH3+])C1 ZINC000576687902 448113482 /nfs/dbraw/zinc/11/34/82/448113482.db2.gz AZRKUQFLQMQVIJ-SNVBAGLBSA-N 2 2 347.282 1.295 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccsc2Br)[C@H](C[NH3+])C1 ZINC000576687902 448113486 /nfs/dbraw/zinc/11/34/86/448113486.db2.gz AZRKUQFLQMQVIJ-SNVBAGLBSA-N 2 2 347.282 1.295 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000527029496 448143094 /nfs/dbraw/zinc/14/30/94/448143094.db2.gz JPUUWHMXZZXEJM-UHFFFAOYSA-N 2 2 329.404 1.105 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)n1C ZINC000571537526 448170985 /nfs/dbraw/zinc/17/09/85/448170985.db2.gz JYIZVOUKYJBKHK-OAHLLOKOSA-N 2 2 344.415 1.143 20 0 EDADLP Cc1ccc(Br)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000571532722 448169180 /nfs/dbraw/zinc/16/91/80/448169180.db2.gz HGAKQCYPKZHHNE-LLVKDONJSA-N 2 2 341.253 1.864 20 0 EDADLP Cc1ccc(Br)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000571532722 448169186 /nfs/dbraw/zinc/16/91/86/448169186.db2.gz HGAKQCYPKZHHNE-LLVKDONJSA-N 2 2 341.253 1.864 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000560326486 448214694 /nfs/dbraw/zinc/21/46/94/448214694.db2.gz ILYXLMVPAAUAQG-UHFFFAOYSA-N 2 2 343.431 1.321 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000514866828 448218434 /nfs/dbraw/zinc/21/84/34/448218434.db2.gz XUCOQILOHXLMPL-SFHVURJKSA-N 2 2 348.487 1.561 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@@H]3C)ccc2n1C ZINC000527375479 448220472 /nfs/dbraw/zinc/22/04/72/448220472.db2.gz YBZWJEMBRNFZEC-LBPRGKRZSA-N 2 2 343.431 1.373 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@H+](C)CC[C@@H]3C)ccc2n1C ZINC000527375479 448220475 /nfs/dbraw/zinc/22/04/75/448220475.db2.gz YBZWJEMBRNFZEC-LBPRGKRZSA-N 2 2 343.431 1.373 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000582476013 448247586 /nfs/dbraw/zinc/24/75/86/448247586.db2.gz FPINBSRGTDIWFL-KRWDZBQOSA-N 3 2 337.512 1.068 20 0 EDADLP C[N@H+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000582476013 448247595 /nfs/dbraw/zinc/24/75/95/448247595.db2.gz FPINBSRGTDIWFL-KRWDZBQOSA-N 3 2 337.512 1.068 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000582674117 448308731 /nfs/dbraw/zinc/30/87/31/448308731.db2.gz KIBCNWDYQHSGPK-ZFWWWQNUSA-N 2 2 339.867 1.989 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000582674117 448308740 /nfs/dbraw/zinc/30/87/40/448308740.db2.gz KIBCNWDYQHSGPK-ZFWWWQNUSA-N 2 2 339.867 1.989 20 0 EDADLP C[C@@H]1CN(c2cc(N3C[C@@H](C)[C@](C)(C[NH3+])C3)[nH+]cn2)C[C@@]1(C)C[NH3+] ZINC000515432874 448313468 /nfs/dbraw/zinc/31/34/68/448313468.db2.gz LZCJFMBSURCRAT-DTTOXWODSA-N 3 2 332.496 1.319 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[NH+]1CCC1)c1ccccc1F ZINC000532787012 448313559 /nfs/dbraw/zinc/31/35/59/448313559.db2.gz DJGNAPRJDARMIN-HNNXBMFYSA-N 2 2 331.395 1.654 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2noc3c2COCC3)CC1 ZINC000527598528 448317799 /nfs/dbraw/zinc/31/77/99/448317799.db2.gz SBIQERYHLWCPPX-UHFFFAOYSA-N 2 2 343.387 1.146 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000577526461 448321272 /nfs/dbraw/zinc/32/12/72/448321272.db2.gz CVGNJQNNGSRETE-KRWDZBQOSA-N 2 2 339.455 1.265 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000577526461 448321275 /nfs/dbraw/zinc/32/12/75/448321275.db2.gz CVGNJQNNGSRETE-KRWDZBQOSA-N 2 2 339.455 1.265 20 0 EDADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1Br ZINC000577388983 448284889 /nfs/dbraw/zinc/28/48/89/448284889.db2.gz PASHJKOKZUSAQZ-TZMCWYRMSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1Br ZINC000577388983 448284892 /nfs/dbraw/zinc/28/48/92/448284892.db2.gz PASHJKOKZUSAQZ-TZMCWYRMSA-N 2 2 338.249 1.501 20 0 EDADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000577408018 448290358 /nfs/dbraw/zinc/29/03/58/448290358.db2.gz BLMCZYMXALNSMH-WMLDXEAASA-N 2 2 347.434 1.427 20 0 EDADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000577408018 448290364 /nfs/dbraw/zinc/29/03/64/448290364.db2.gz BLMCZYMXALNSMH-WMLDXEAASA-N 2 2 347.434 1.427 20 0 EDADLP O=C1[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCCN1CC(F)(F)F ZINC000532989898 448339489 /nfs/dbraw/zinc/33/94/89/448339489.db2.gz OZXDZISFRLDILT-NWDGAFQWSA-N 2 2 330.354 1.903 20 0 EDADLP C[NH+]1CCN(C[C@H](NC(=O)CC(F)(F)C[NH3+])c2ccccc2)CC1 ZINC000582793287 448342373 /nfs/dbraw/zinc/34/23/73/448342373.db2.gz JCMBHMLHGLATOY-HNNXBMFYSA-N 2 2 340.418 1.075 20 0 EDADLP O[C@H](CNC[C@H]1CCC[N@@H+]1C1CCCCC1)C[NH+]1CCOCC1 ZINC000577622772 448344660 /nfs/dbraw/zinc/34/46/60/448344660.db2.gz QXARYAMEQHGPND-QZTJIDSGSA-N 2 2 325.497 1.066 20 0 EDADLP O[C@H](CNC[C@H]1CCC[N@H+]1C1CCCCC1)C[NH+]1CCOCC1 ZINC000577622772 448344665 /nfs/dbraw/zinc/34/46/65/448344665.db2.gz QXARYAMEQHGPND-QZTJIDSGSA-N 2 2 325.497 1.066 20 0 EDADLP O[C@H](CNC[C@@H]1CCC[N@@H+]1C1CCCCC1)C[NH+]1CCOCC1 ZINC000577622774 448345245 /nfs/dbraw/zinc/34/52/45/448345245.db2.gz QXARYAMEQHGPND-ZWKOTPCHSA-N 2 2 325.497 1.066 20 0 EDADLP O[C@H](CNC[C@@H]1CCC[N@H+]1C1CCCCC1)C[NH+]1CCOCC1 ZINC000577622774 448345248 /nfs/dbraw/zinc/34/52/48/448345248.db2.gz QXARYAMEQHGPND-ZWKOTPCHSA-N 2 2 325.497 1.066 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591421698 448356866 /nfs/dbraw/zinc/35/68/66/448356866.db2.gz FYDHBWJJOPWOEU-INIZCTEOSA-N 2 2 331.460 1.600 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591421698 448356872 /nfs/dbraw/zinc/35/68/72/448356872.db2.gz FYDHBWJJOPWOEU-INIZCTEOSA-N 2 2 331.460 1.600 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])CC(C)C ZINC000577831082 448394911 /nfs/dbraw/zinc/39/49/11/448394911.db2.gz YQHMTBMRLYWYCW-HZPDHXFCSA-N 3 2 327.517 1.027 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])CC(C)C ZINC000577831082 448394914 /nfs/dbraw/zinc/39/49/14/448394914.db2.gz YQHMTBMRLYWYCW-HZPDHXFCSA-N 3 2 327.517 1.027 20 0 EDADLP Cc1ccc2cc[nH+]c(NCCCC[NH+]3CCN(CCO)CC3)c2c1 ZINC000566148630 448395703 /nfs/dbraw/zinc/39/57/03/448395703.db2.gz FRVFRSVSAZHNKH-UHFFFAOYSA-N 2 2 342.487 2.345 20 0 EDADLP Cc1ccc2cc[nH+]c(NCCCCN3CC[NH+](CCO)CC3)c2c1 ZINC000566148630 448395710 /nfs/dbraw/zinc/39/57/10/448395710.db2.gz FRVFRSVSAZHNKH-UHFFFAOYSA-N 2 2 342.487 2.345 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)C[C@H]1CCC[N@@H+]1C)n2C ZINC000577838846 448398934 /nfs/dbraw/zinc/39/89/34/448398934.db2.gz FPZGLMSDBATBNK-GFCCVEGCSA-N 2 2 330.436 1.201 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)C[C@H]1CCC[N@H+]1C)n2C ZINC000577838846 448398940 /nfs/dbraw/zinc/39/89/40/448398940.db2.gz FPZGLMSDBATBNK-GFCCVEGCSA-N 2 2 330.436 1.201 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000527974173 448402350 /nfs/dbraw/zinc/40/23/50/448402350.db2.gz OFIUWCAEMNJJSQ-UHFFFAOYSA-N 2 2 341.459 1.255 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000527974173 448402354 /nfs/dbraw/zinc/40/23/54/448402354.db2.gz OFIUWCAEMNJJSQ-UHFFFAOYSA-N 2 2 341.459 1.255 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)CC1 ZINC000591601333 448402841 /nfs/dbraw/zinc/40/28/41/448402841.db2.gz XTHQXPMNTUVPJI-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)CC1 ZINC000591601333 448402848 /nfs/dbraw/zinc/40/28/48/448402848.db2.gz XTHQXPMNTUVPJI-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[NH+](C)CC1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000591601333 448402855 /nfs/dbraw/zinc/40/28/55/448402855.db2.gz XTHQXPMNTUVPJI-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[NH+](C)CC1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000591601333 448402861 /nfs/dbraw/zinc/40/28/61/448402861.db2.gz XTHQXPMNTUVPJI-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP CO[C@H](CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000516278659 448407636 /nfs/dbraw/zinc/40/76/36/448407636.db2.gz YRCCBHYUSHWGIX-YVECIDJPSA-N 2 2 328.375 1.014 20 0 EDADLP CO[C@H](CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000516278659 448407638 /nfs/dbraw/zinc/40/76/38/448407638.db2.gz YRCCBHYUSHWGIX-YVECIDJPSA-N 2 2 328.375 1.014 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000516292954 448410480 /nfs/dbraw/zinc/41/04/80/448410480.db2.gz OQPULIKNUBUTMT-HNNXBMFYSA-N 2 2 346.475 1.778 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000516292954 448410484 /nfs/dbraw/zinc/41/04/84/448410484.db2.gz OQPULIKNUBUTMT-HNNXBMFYSA-N 2 2 346.475 1.778 20 0 EDADLP COc1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1OC(C)C ZINC000577887044 448413237 /nfs/dbraw/zinc/41/32/37/448413237.db2.gz BIVULXRSHOZUOL-LSDHHAIUSA-N 2 2 333.432 1.226 20 0 EDADLP COc1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1OC(C)C ZINC000577887044 448413242 /nfs/dbraw/zinc/41/32/42/448413242.db2.gz BIVULXRSHOZUOL-LSDHHAIUSA-N 2 2 333.432 1.226 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000577741270 448374426 /nfs/dbraw/zinc/37/44/26/448374426.db2.gz CMQOBRSHGAAPRC-MRXNPFEDSA-N 2 2 341.402 1.994 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000577741270 448374432 /nfs/dbraw/zinc/37/44/32/448374432.db2.gz CMQOBRSHGAAPRC-MRXNPFEDSA-N 2 2 341.402 1.994 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[C@H](C)O1 ZINC000577741739 448374974 /nfs/dbraw/zinc/37/49/74/448374974.db2.gz YZOIPJYQKXNFDP-JJTUDDRGSA-N 2 2 344.521 1.101 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[C@H](C)O1 ZINC000577741739 448374977 /nfs/dbraw/zinc/37/49/77/448374977.db2.gz YZOIPJYQKXNFDP-JJTUDDRGSA-N 2 2 344.521 1.101 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3[nH]cc[nH+]3)CC2)CC1 ZINC000582913985 448378736 /nfs/dbraw/zinc/37/87/36/448378736.db2.gz AGMUGXGHPSIXMC-UHFFFAOYSA-N 3 2 347.507 1.957 20 0 EDADLP O=c1n(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)nc2ccccn21 ZINC000534861950 448470580 /nfs/dbraw/zinc/47/05/80/448470580.db2.gz ZAUNHSSPPJASOA-UHFFFAOYSA-N 2 2 338.415 1.468 20 0 EDADLP O=C(C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000572725119 448449789 /nfs/dbraw/zinc/44/97/89/448449789.db2.gz VLBJEUOHDGVTEO-LSDHHAIUSA-N 2 2 345.447 1.160 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)NCc2c[nH+]c(C)nc2N)CC1 ZINC000572844303 448478316 /nfs/dbraw/zinc/47/83/16/448478316.db2.gz BPCYBJWVZMOOBB-UHFFFAOYSA-N 2 2 340.431 1.603 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)no1 ZINC000516862542 448484659 /nfs/dbraw/zinc/48/46/59/448484659.db2.gz GYNSKQSDVPPGPA-QGZVFWFLSA-N 2 2 342.443 2.566 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)no1 ZINC000516862542 448484661 /nfs/dbraw/zinc/48/46/61/448484661.db2.gz GYNSKQSDVPPGPA-QGZVFWFLSA-N 2 2 342.443 2.566 20 0 EDADLP Cc1ncc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000535213255 448490063 /nfs/dbraw/zinc/49/00/63/448490063.db2.gz UMIJFPCLNLXJFD-SJPCQFCGSA-N 2 2 344.463 1.560 20 0 EDADLP Cc1ncc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000535213255 448490066 /nfs/dbraw/zinc/49/00/66/448490066.db2.gz UMIJFPCLNLXJFD-SJPCQFCGSA-N 2 2 344.463 1.560 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000516914899 448495483 /nfs/dbraw/zinc/49/54/83/448495483.db2.gz WMDKEFFNBSOQHG-CYBMUJFWSA-N 2 2 330.354 1.898 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000516914899 448495491 /nfs/dbraw/zinc/49/54/91/448495491.db2.gz WMDKEFFNBSOQHG-CYBMUJFWSA-N 2 2 330.354 1.898 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CC(=O)Nc2ccccc21 ZINC000591866916 448511818 /nfs/dbraw/zinc/51/18/18/448511818.db2.gz JLMZSRZHXFPYRU-AWEZNQCLSA-N 2 2 339.399 1.505 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CC(=O)Nc2ccccc21 ZINC000591866916 448511824 /nfs/dbraw/zinc/51/18/24/448511824.db2.gz JLMZSRZHXFPYRU-AWEZNQCLSA-N 2 2 339.399 1.505 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc2c(c1)OCCO2 ZINC000591868373 448512882 /nfs/dbraw/zinc/51/28/82/448512882.db2.gz YIHMDKZUNJZKCS-OAHLLOKOSA-N 2 2 342.399 1.930 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc2c(c1)OCCO2 ZINC000591868373 448512886 /nfs/dbraw/zinc/51/28/86/448512886.db2.gz YIHMDKZUNJZKCS-OAHLLOKOSA-N 2 2 342.399 1.930 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000591868850 448514450 /nfs/dbraw/zinc/51/44/50/448514450.db2.gz GSPMGEFONLSEML-BBWFWOEESA-N 2 2 332.448 1.690 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000591868850 448514456 /nfs/dbraw/zinc/51/44/56/448514456.db2.gz GSPMGEFONLSEML-BBWFWOEESA-N 2 2 332.448 1.690 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000517025518 448526163 /nfs/dbraw/zinc/52/61/63/448526163.db2.gz WAWIZQCVWKANOH-JKSUJKDBSA-N 2 2 345.409 1.444 20 0 EDADLP COc1ccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000584449802 448529202 /nfs/dbraw/zinc/52/92/02/448529202.db2.gz ZNRWDGOXIKOJMP-UHFFFAOYSA-N 2 2 334.464 1.117 20 0 EDADLP COc1ccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000584449802 448529209 /nfs/dbraw/zinc/52/92/09/448529209.db2.gz ZNRWDGOXIKOJMP-UHFFFAOYSA-N 2 2 334.464 1.117 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C)CCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000516929517 448500442 /nfs/dbraw/zinc/50/04/42/448500442.db2.gz CNOXOHUHYCUGBH-QWQRMKEZSA-N 2 2 332.448 1.454 20 0 EDADLP CC(C)OC[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000566850870 448570120 /nfs/dbraw/zinc/57/01/20/448570120.db2.gz UGMIMFNOCGIJCC-IBGZPJMESA-N 2 2 335.492 1.574 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000517149590 448543806 /nfs/dbraw/zinc/54/38/06/448543806.db2.gz PITZFOGFHDCJJQ-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000517149590 448543812 /nfs/dbraw/zinc/54/38/12/448543812.db2.gz PITZFOGFHDCJJQ-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000517149590 448543813 /nfs/dbraw/zinc/54/38/13/448543813.db2.gz PITZFOGFHDCJJQ-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000517149590 448543816 /nfs/dbraw/zinc/54/38/16/448543816.db2.gz PITZFOGFHDCJJQ-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000566733716 448546856 /nfs/dbraw/zinc/54/68/56/448546856.db2.gz HCZQLEVQISAXJH-QKLQHJQFSA-N 3 2 349.519 1.350 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3OC3CCCC3)CCN2C1=O ZINC000517175402 448548619 /nfs/dbraw/zinc/54/86/19/448548619.db2.gz DUYSXHLRLIAEAZ-NVXWUHKLSA-N 2 2 329.444 1.752 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OC3CCCC3)CCN2C1=O ZINC000517175402 448548622 /nfs/dbraw/zinc/54/86/22/448548622.db2.gz DUYSXHLRLIAEAZ-NVXWUHKLSA-N 2 2 329.444 1.752 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000567148781 448623563 /nfs/dbraw/zinc/62/35/63/448623563.db2.gz QTKLMLSVZDKAPV-MRXNPFEDSA-N 2 2 329.404 1.050 20 0 EDADLP CCN(CCSC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000591928691 448586168 /nfs/dbraw/zinc/58/61/68/448586168.db2.gz TWZILFNXJFVYIT-UHFFFAOYSA-N 2 2 342.553 1.940 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)[C@H](C)C[NH2+]1 ZINC000584769651 448624635 /nfs/dbraw/zinc/62/46/35/448624635.db2.gz XPXPJXWAVDFDKJ-IIAWOOMASA-N 2 2 327.432 1.901 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000518168523 448650051 /nfs/dbraw/zinc/65/00/51/448650051.db2.gz FUOCKFVVKNDYGH-CVEARBPZSA-N 2 2 347.459 1.608 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000518168523 448650053 /nfs/dbraw/zinc/65/00/53/448650053.db2.gz FUOCKFVVKNDYGH-CVEARBPZSA-N 2 2 347.459 1.608 20 0 EDADLP C[C@@H]1C[NH+](CCN2CCC(C)([NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000528730879 448651790 /nfs/dbraw/zinc/65/17/90/448651790.db2.gz VKGCBNRMLNVNPF-IAGOWNOFSA-N 2 2 325.497 1.282 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000518353952 448668145 /nfs/dbraw/zinc/66/81/45/448668145.db2.gz VOFTXMKLKZMMCM-UHFFFAOYSA-N 2 2 341.459 1.140 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C(F)(F)F ZINC000578997150 448689664 /nfs/dbraw/zinc/68/96/64/448689664.db2.gz DKEYZNMVSBZORU-OAHLLOKOSA-N 2 2 348.365 1.410 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000518794687 448712181 /nfs/dbraw/zinc/71/21/81/448712181.db2.gz MGPXEESDHGIHMY-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000518794687 448712185 /nfs/dbraw/zinc/71/21/85/448712185.db2.gz MGPXEESDHGIHMY-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000518794687 448712191 /nfs/dbraw/zinc/71/21/91/448712191.db2.gz MGPXEESDHGIHMY-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000518794687 448712194 /nfs/dbraw/zinc/71/21/94/448712194.db2.gz MGPXEESDHGIHMY-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000519143007 448746162 /nfs/dbraw/zinc/74/61/62/448746162.db2.gz IDNSUUZHJYSOPB-SFHVURJKSA-N 2 2 335.448 1.206 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CC[NH2+]C(C)C)CC1 ZINC000579241137 448750926 /nfs/dbraw/zinc/75/09/26/448750926.db2.gz KHBGCYKZEFMTGU-UHFFFAOYSA-N 2 2 346.475 1.677 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccccc1 ZINC000568034803 448804617 /nfs/dbraw/zinc/80/46/17/448804617.db2.gz WHZSXCOAABHMFQ-IXDOHACOSA-N 2 2 339.443 1.855 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccccc1 ZINC000568034803 448804621 /nfs/dbraw/zinc/80/46/21/448804621.db2.gz WHZSXCOAABHMFQ-IXDOHACOSA-N 2 2 339.443 1.855 20 0 EDADLP C[C@H](CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)n1cc[nH+]c1 ZINC000579480200 448805948 /nfs/dbraw/zinc/80/59/48/448805948.db2.gz PTTOUHJHPXLPNO-MRXNPFEDSA-N 2 2 342.443 1.983 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000529283142 448806049 /nfs/dbraw/zinc/80/60/49/448806049.db2.gz IACFFTLQOYMYEN-INIZCTEOSA-N 2 2 347.463 1.058 20 0 EDADLP COCCC[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000579344172 448770819 /nfs/dbraw/zinc/77/08/19/448770819.db2.gz VVVNEOLQXRTYED-UHFFFAOYSA-N 2 2 340.489 1.551 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000519542022 448782053 /nfs/dbraw/zinc/78/20/53/448782053.db2.gz LEUZCWSSYJCBPL-LLVKDONJSA-N 2 2 346.294 1.545 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000519542022 448782056 /nfs/dbraw/zinc/78/20/56/448782056.db2.gz LEUZCWSSYJCBPL-LLVKDONJSA-N 2 2 346.294 1.545 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000519805653 448847106 /nfs/dbraw/zinc/84/71/06/448847106.db2.gz ASJNAFLAYZVKGN-AWEZNQCLSA-N 2 2 326.462 1.042 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000519856679 448860248 /nfs/dbraw/zinc/86/02/48/448860248.db2.gz VPHFEOSNJQWMNU-QGZVFWFLSA-N 2 2 342.443 1.236 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000519856679 448860253 /nfs/dbraw/zinc/86/02/53/448860253.db2.gz VPHFEOSNJQWMNU-QGZVFWFLSA-N 2 2 342.443 1.236 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000568370728 448862137 /nfs/dbraw/zinc/86/21/37/448862137.db2.gz HQYOJLFIQMTUEG-UONOGXRCSA-N 2 2 339.509 1.073 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)C[C@@H](C)O1 ZINC000568620831 448896558 /nfs/dbraw/zinc/89/65/58/448896558.db2.gz QBFUKAXLDCAJNA-CVXDVXMKSA-N 2 2 340.414 1.880 20 0 EDADLP C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)n1cc[nH+]c1 ZINC000520414922 448896864 /nfs/dbraw/zinc/89/68/64/448896864.db2.gz AYLSIQCRHPBFSH-GJZGRUSLSA-N 2 2 328.420 1.357 20 0 EDADLP C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)n1cc[nH+]c1 ZINC000520414922 448896869 /nfs/dbraw/zinc/89/68/69/448896869.db2.gz AYLSIQCRHPBFSH-GJZGRUSLSA-N 2 2 328.420 1.357 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000579946879 448917603 /nfs/dbraw/zinc/91/76/03/448917603.db2.gz DAPNETJODIHJON-QRQLOZEOSA-N 2 2 332.444 1.845 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000579946879 448917609 /nfs/dbraw/zinc/91/76/09/448917609.db2.gz DAPNETJODIHJON-QRQLOZEOSA-N 2 2 332.444 1.845 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000520789126 448929113 /nfs/dbraw/zinc/92/91/13/448929113.db2.gz PXVPAJLGJPWRML-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000520789126 448929115 /nfs/dbraw/zinc/92/91/15/448929115.db2.gz PXVPAJLGJPWRML-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000520354412 448886510 /nfs/dbraw/zinc/88/65/10/448886510.db2.gz SQKDOQCRTRBBET-QGZVFWFLSA-N 2 2 327.432 1.357 20 0 EDADLP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000520377139 448890235 /nfs/dbraw/zinc/89/02/35/448890235.db2.gz MMKIOZSANGORJA-ZWKOTPCHSA-N 2 2 339.443 1.985 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528824 448895827 /nfs/dbraw/zinc/89/58/27/448895827.db2.gz OJWDQKTYVBLFET-PMPSAXMXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528824 448895832 /nfs/dbraw/zinc/89/58/32/448895832.db2.gz OJWDQKTYVBLFET-PMPSAXMXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528824 448895834 /nfs/dbraw/zinc/89/58/34/448895834.db2.gz OJWDQKTYVBLFET-PMPSAXMXSA-N 2 2 344.496 1.225 20 0 EDADLP CC(C)[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1nc2ccccc2[nH]1 ZINC000569093159 448960557 /nfs/dbraw/zinc/96/05/57/448960557.db2.gz ZREBMNOUCYNIMQ-BBRMVZONSA-N 2 2 344.463 1.544 20 0 EDADLP CC(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1nc2ccccc2[nH]1 ZINC000569093159 448960561 /nfs/dbraw/zinc/96/05/61/448960561.db2.gz ZREBMNOUCYNIMQ-BBRMVZONSA-N 2 2 344.463 1.544 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000574861032 448971540 /nfs/dbraw/zinc/97/15/40/448971540.db2.gz UNTRDJPAPGTIFR-GOEBONIOSA-N 2 2 331.464 1.869 20 0 EDADLP O=C1C[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C(=O)N1 ZINC000574887094 448980533 /nfs/dbraw/zinc/98/05/33/448980533.db2.gz LSEANRNQTFXSDN-QFBILLFUSA-N 2 2 327.428 1.390 20 0 EDADLP O=C1C[C@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C(=O)N1 ZINC000574887094 448980539 /nfs/dbraw/zinc/98/05/39/448980539.db2.gz LSEANRNQTFXSDN-QFBILLFUSA-N 2 2 327.428 1.390 20 0 EDADLP O=C1C[C@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C(=O)N1 ZINC000574887094 448980543 /nfs/dbraw/zinc/98/05/43/448980543.db2.gz LSEANRNQTFXSDN-QFBILLFUSA-N 2 2 327.428 1.390 20 0 EDADLP O=C1C[C@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C(=O)N1 ZINC000574887094 448980548 /nfs/dbraw/zinc/98/05/48/448980548.db2.gz LSEANRNQTFXSDN-QFBILLFUSA-N 2 2 327.428 1.390 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+](C2CCC2)C1 ZINC000582038665 448994134 /nfs/dbraw/zinc/99/41/34/448994134.db2.gz CMGBHIZCHDBCHI-HUUCEWRRSA-N 2 2 331.464 1.714 20 0 EDADLP Cn1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000521843568 449017672 /nfs/dbraw/zinc/01/76/72/449017672.db2.gz REBZIFHCMBRPCA-QGZVFWFLSA-N 2 2 341.459 1.407 20 0 EDADLP Cn1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000521843568 449017676 /nfs/dbraw/zinc/01/76/76/449017676.db2.gz REBZIFHCMBRPCA-QGZVFWFLSA-N 2 2 341.459 1.407 20 0 EDADLP CN(C)C(=O)CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000521957574 449030812 /nfs/dbraw/zinc/03/08/12/449030812.db2.gz XVEZGWCELYCJBV-UHFFFAOYSA-N 2 2 332.492 1.889 20 0 EDADLP CN(C)C(=O)CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000521957574 449030819 /nfs/dbraw/zinc/03/08/19/449030819.db2.gz XVEZGWCELYCJBV-UHFFFAOYSA-N 2 2 332.492 1.889 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000575134336 449044211 /nfs/dbraw/zinc/04/42/11/449044211.db2.gz ZNOCJIUYGCEUJP-MRXNPFEDSA-N 2 2 349.866 2.340 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582241852 449045220 /nfs/dbraw/zinc/04/52/20/449045220.db2.gz MNOVDQWVTBOTGT-ACJLOTCBSA-N 2 2 330.432 1.188 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582241852 449045224 /nfs/dbraw/zinc/04/52/24/449045224.db2.gz MNOVDQWVTBOTGT-ACJLOTCBSA-N 2 2 330.432 1.188 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000569618577 449058295 /nfs/dbraw/zinc/05/82/95/449058295.db2.gz IZIUIMMBEUAKBB-HNNXBMFYSA-N 2 2 325.478 1.255 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000569618577 449058297 /nfs/dbraw/zinc/05/82/97/449058297.db2.gz IZIUIMMBEUAKBB-HNNXBMFYSA-N 2 2 325.478 1.255 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)ccc1C ZINC000530241139 449092271 /nfs/dbraw/zinc/09/22/71/449092271.db2.gz BZSIICKYGWFGGY-UHFFFAOYSA-N 2 2 332.448 1.146 20 0 EDADLP Cc1cc(NC(=O)CCc2c[nH+]cn2C)n(C2CC[NH+](C)CC2)n1 ZINC000530299770 449107672 /nfs/dbraw/zinc/10/76/72/449107672.db2.gz CHZPXIFGFNNGPJ-UHFFFAOYSA-N 2 2 330.436 1.763 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC([N@H+](C)CCO)CC2)c1C ZINC000600119847 449201492 /nfs/dbraw/zinc/20/14/92/449201492.db2.gz VNUXFJAREBZQHG-UHFFFAOYSA-N 2 2 337.464 1.697 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC([N@@H+](C)CCO)CC2)c1C ZINC000600119847 449201496 /nfs/dbraw/zinc/20/14/96/449201496.db2.gz VNUXFJAREBZQHG-UHFFFAOYSA-N 2 2 337.464 1.697 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604182369 449186124 /nfs/dbraw/zinc/18/61/24/449186124.db2.gz DDJFPXCLMJAWCO-HOTGVXAUSA-N 3 2 339.528 1.184 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604182369 449186131 /nfs/dbraw/zinc/18/61/31/449186131.db2.gz DDJFPXCLMJAWCO-HOTGVXAUSA-N 3 2 339.528 1.184 20 0 EDADLP CCOC(=O)c1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)[nH]c1C ZINC000590638884 449231221 /nfs/dbraw/zinc/23/12/21/449231221.db2.gz JICSMSWTOCFPNU-KRWDZBQOSA-N 2 2 348.491 1.712 20 0 EDADLP CCOC(=O)c1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[nH]c1C ZINC000590638884 449231229 /nfs/dbraw/zinc/23/12/29/449231229.db2.gz JICSMSWTOCFPNU-KRWDZBQOSA-N 2 2 348.491 1.712 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000593965027 449306994 /nfs/dbraw/zinc/30/69/94/449306994.db2.gz UCUHBNJFEWPECZ-CQSZACIVSA-N 2 2 326.404 1.363 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000594013837 449323270 /nfs/dbraw/zinc/32/32/70/449323270.db2.gz COORKNPMWJMIAK-HRCADAONSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000594013837 449323275 /nfs/dbraw/zinc/32/32/75/449323275.db2.gz COORKNPMWJMIAK-HRCADAONSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000594013837 449323279 /nfs/dbraw/zinc/32/32/79/449323279.db2.gz COORKNPMWJMIAK-HRCADAONSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000594013837 449323285 /nfs/dbraw/zinc/32/32/85/449323285.db2.gz COORKNPMWJMIAK-HRCADAONSA-N 2 2 344.496 1.225 20 0 EDADLP C[NH+]1CCC(n2ccc(NC(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)n2)CC1 ZINC000614157453 449484648 /nfs/dbraw/zinc/48/46/48/449484648.db2.gz RRDAOPZRLBOTKA-GFCCVEGCSA-N 2 2 328.420 1.617 20 0 EDADLP C[NH+]1CCC(n2ccc(NC(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)n2)CC1 ZINC000614157453 449484652 /nfs/dbraw/zinc/48/46/52/449484652.db2.gz RRDAOPZRLBOTKA-GFCCVEGCSA-N 2 2 328.420 1.617 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000600711168 449509450 /nfs/dbraw/zinc/50/94/50/449509450.db2.gz RMRZCYDDOIUVOR-YCPHGPKFSA-N 2 2 339.480 1.297 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000594587182 449585523 /nfs/dbraw/zinc/58/55/23/449585523.db2.gz QKCVCJDNSFIZPF-GVDBMIGSSA-N 3 2 337.508 1.914 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000594587182 449585525 /nfs/dbraw/zinc/58/55/25/449585525.db2.gz QKCVCJDNSFIZPF-GVDBMIGSSA-N 3 2 337.508 1.914 20 0 EDADLP C[N@H+](CCO)Cc1cc(NC(=O)[C@H]2CCC[NH+]2C)ccc1Cl ZINC000614382472 449585562 /nfs/dbraw/zinc/58/55/62/449585562.db2.gz DDBSTFNRPOWVPS-OAHLLOKOSA-N 2 2 325.840 1.797 20 0 EDADLP C[N@@H+](CCO)Cc1cc(NC(=O)[C@H]2CCC[NH+]2C)ccc1Cl ZINC000614382472 449585565 /nfs/dbraw/zinc/58/55/65/449585565.db2.gz DDBSTFNRPOWVPS-OAHLLOKOSA-N 2 2 325.840 1.797 20 0 EDADLP C[NH+](CCO)Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C)ccc1Cl ZINC000614382472 449585568 /nfs/dbraw/zinc/58/55/68/449585568.db2.gz DDBSTFNRPOWVPS-OAHLLOKOSA-N 2 2 325.840 1.797 20 0 EDADLP C[NH+](CCO)Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C)ccc1Cl ZINC000614382472 449585569 /nfs/dbraw/zinc/58/55/69/449585569.db2.gz DDBSTFNRPOWVPS-OAHLLOKOSA-N 2 2 325.840 1.797 20 0 EDADLP CCOC(=O)C1CC[NH+](Cc2cn(-c3ccc(C[NH3+])cc3)nn2)CC1 ZINC000600969577 449622864 /nfs/dbraw/zinc/62/28/64/449622864.db2.gz INQBLHCPBCZWMZ-UHFFFAOYSA-N 2 2 343.431 1.501 20 0 EDADLP CC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1O ZINC000617507893 449658672 /nfs/dbraw/zinc/65/86/72/449658672.db2.gz NTMXYBWNCIYGPI-ZDUSSCGKSA-N 2 2 335.448 1.597 20 0 EDADLP CC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1O ZINC000617507893 449658677 /nfs/dbraw/zinc/65/86/77/449658677.db2.gz NTMXYBWNCIYGPI-ZDUSSCGKSA-N 2 2 335.448 1.597 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000607907521 449664570 /nfs/dbraw/zinc/66/45/70/449664570.db2.gz LMLQLPMGYQKBDK-YJBOKZPZSA-N 2 2 339.524 1.970 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)c2ccccc2O1 ZINC000612400682 449680044 /nfs/dbraw/zinc/68/00/44/449680044.db2.gz OZQAHLIAEAQRQR-HOCLYGCPSA-N 2 2 340.427 1.801 20 0 EDADLP CCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@@H]1CC[N@H+](C)C1 ZINC000617552486 449683107 /nfs/dbraw/zinc/68/31/07/449683107.db2.gz OXVYJJVCKRTEIQ-GFCCVEGCSA-N 2 2 330.436 1.201 20 0 EDADLP CCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@@H]1CC[N@@H+](C)C1 ZINC000617552486 449683115 /nfs/dbraw/zinc/68/31/15/449683115.db2.gz OXVYJJVCKRTEIQ-GFCCVEGCSA-N 2 2 330.436 1.201 20 0 EDADLP O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000612430941 449700217 /nfs/dbraw/zinc/70/02/17/449700217.db2.gz IZNDEMPHSREZIL-LSDHHAIUSA-N 2 2 332.448 1.228 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000612430941 449700223 /nfs/dbraw/zinc/70/02/23/449700223.db2.gz IZNDEMPHSREZIL-LSDHHAIUSA-N 2 2 332.448 1.228 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000599182666 449783394 /nfs/dbraw/zinc/78/33/94/449783394.db2.gz ZEVQIGAMPLAGHP-ZDUSSCGKSA-N 2 2 335.452 1.315 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000599160621 449769563 /nfs/dbraw/zinc/76/95/63/449769563.db2.gz PADGEYIZTXWSNK-UHFFFAOYSA-N 2 2 333.432 1.488 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC(=O)NCc1ccccc1 ZINC000601335704 449845231 /nfs/dbraw/zinc/84/52/31/449845231.db2.gz XQMKMVUBLOIJKQ-JKSUJKDBSA-N 2 2 330.432 1.086 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC(=O)NCc1ccccc1 ZINC000601335704 449845235 /nfs/dbraw/zinc/84/52/35/449845235.db2.gz XQMKMVUBLOIJKQ-JKSUJKDBSA-N 2 2 330.432 1.086 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000608360792 449818550 /nfs/dbraw/zinc/81/85/50/449818550.db2.gz QVQDZAQXEVLMHB-QGZVFWFLSA-N 2 2 333.432 1.464 20 0 EDADLP C[C@H](CSCCF)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000595034260 449845812 /nfs/dbraw/zinc/84/58/12/449845812.db2.gz TZZKLAXEYBXCFS-CHWSQXEVSA-N 2 2 328.457 1.592 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ocnc1-c1ccccc1 ZINC000617763725 449821713 /nfs/dbraw/zinc/82/17/13/449821713.db2.gz YPQGMYURMXHFCP-UHFFFAOYSA-N 2 2 330.432 1.955 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ocnc1-c1ccccc1 ZINC000617763725 449821718 /nfs/dbraw/zinc/82/17/18/449821718.db2.gz YPQGMYURMXHFCP-UHFFFAOYSA-N 2 2 330.432 1.955 20 0 EDADLP COc1cccc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1Cl ZINC000617763104 449822355 /nfs/dbraw/zinc/82/23/55/449822355.db2.gz FINGRKKTUNMVGJ-UHFFFAOYSA-N 2 2 341.883 1.891 20 0 EDADLP COc1cccc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1Cl ZINC000617763104 449822359 /nfs/dbraw/zinc/82/23/59/449822359.db2.gz FINGRKKTUNMVGJ-UHFFFAOYSA-N 2 2 341.883 1.891 20 0 EDADLP Cc1ccn(-c2ccccc2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617763516 449822519 /nfs/dbraw/zinc/82/25/19/449822519.db2.gz SXZOUMHUQIVYKP-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP Cc1ccn(-c2ccccc2C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617763516 449822523 /nfs/dbraw/zinc/82/25/23/449822523.db2.gz SXZOUMHUQIVYKP-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc2c1OCCCO2 ZINC000617763315 449823135 /nfs/dbraw/zinc/82/31/35/449823135.db2.gz MRJMKYIBTOMRNX-UHFFFAOYSA-N 2 2 335.448 1.461 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc2c1OCCCO2 ZINC000617763315 449823140 /nfs/dbraw/zinc/82/31/40/449823140.db2.gz MRJMKYIBTOMRNX-UHFFFAOYSA-N 2 2 335.448 1.461 20 0 EDADLP C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767157 449831803 /nfs/dbraw/zinc/83/18/03/449831803.db2.gz IZJHNFIJMNQIOG-INIZCTEOSA-N 2 2 347.503 1.942 20 0 EDADLP C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767157 449831804 /nfs/dbraw/zinc/83/18/04/449831804.db2.gz IZJHNFIJMNQIOG-INIZCTEOSA-N 2 2 347.503 1.942 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000617768275 449832999 /nfs/dbraw/zinc/83/29/99/449832999.db2.gz WXMIZYQDYVGCHG-INIZCTEOSA-N 2 2 339.867 1.643 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000617768275 449833001 /nfs/dbraw/zinc/83/30/01/449833001.db2.gz WXMIZYQDYVGCHG-INIZCTEOSA-N 2 2 339.867 1.643 20 0 EDADLP COc1ccc(-c2cc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)on2)cc1 ZINC000594876418 449790626 /nfs/dbraw/zinc/79/06/26/449790626.db2.gz YMRAWRREXKZJQL-CJNGLKHVSA-N 2 2 342.399 1.094 20 0 EDADLP COc1ccc(-c2cc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)on2)cc1 ZINC000594876418 449790632 /nfs/dbraw/zinc/79/06/32/449790632.db2.gz YMRAWRREXKZJQL-CJNGLKHVSA-N 2 2 342.399 1.094 20 0 EDADLP CSCC1(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000595064419 449852364 /nfs/dbraw/zinc/85/23/64/449852364.db2.gz APWJJNFMZINONG-UHFFFAOYSA-N 2 2 341.565 1.906 20 0 EDADLP CSCC1(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000595064419 449852369 /nfs/dbraw/zinc/85/23/69/449852369.db2.gz APWJJNFMZINONG-UHFFFAOYSA-N 2 2 341.565 1.906 20 0 EDADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000612963994 449960358 /nfs/dbraw/zinc/96/03/58/449960358.db2.gz NWPYIZFSFBSQSX-MRXNPFEDSA-N 2 2 329.448 1.051 20 0 EDADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000612969297 449963306 /nfs/dbraw/zinc/96/33/06/449963306.db2.gz DTDJLSYBSOKJIS-OAHLLOKOSA-N 2 2 349.504 1.503 20 0 EDADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000612969297 449963308 /nfs/dbraw/zinc/96/33/08/449963308.db2.gz DTDJLSYBSOKJIS-OAHLLOKOSA-N 2 2 349.504 1.503 20 0 EDADLP CC(C)C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000615229315 450012710 /nfs/dbraw/zinc/01/27/10/450012710.db2.gz YRNBMJDTTNOHGH-CABCVRRESA-N 2 2 349.479 1.036 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613209764 450081217 /nfs/dbraw/zinc/08/12/17/450081217.db2.gz HABXUHPUBPEIPG-QRQLOZEOSA-N 3 2 342.487 1.043 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000613209764 450081221 /nfs/dbraw/zinc/08/12/21/450081221.db2.gz HABXUHPUBPEIPG-QRQLOZEOSA-N 3 2 342.487 1.043 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)C2)CC1 ZINC000610026213 450130040 /nfs/dbraw/zinc/13/00/40/450130040.db2.gz GLCQDATUEREFSM-INIZCTEOSA-N 2 2 342.447 1.578 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552690 450227579 /nfs/dbraw/zinc/22/75/79/450227579.db2.gz ZKOXBKHILMSUSO-LLVKDONJSA-N 2 2 329.404 1.401 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603602910 450334044 /nfs/dbraw/zinc/33/40/44/450334044.db2.gz TYXAPWBYBAJHMJ-OAHLLOKOSA-N 2 2 334.468 1.111 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603602910 450334049 /nfs/dbraw/zinc/33/40/49/450334049.db2.gz TYXAPWBYBAJHMJ-OAHLLOKOSA-N 2 2 334.468 1.111 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)CC2 ZINC000625346881 450306558 /nfs/dbraw/zinc/30/65/58/450306558.db2.gz BVZVIKTUSRQEKS-MRXNPFEDSA-N 2 2 341.459 1.739 20 0 EDADLP Cc1cn2nc(N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)sc2n1 ZINC000603820409 450353848 /nfs/dbraw/zinc/35/38/48/450353848.db2.gz ODVUOKMVUIACQC-CQSZACIVSA-N 2 2 334.493 1.704 20 0 EDADLP Cc1cn2nc(N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)sc2n1 ZINC000603820409 450353852 /nfs/dbraw/zinc/35/38/52/450353852.db2.gz ODVUOKMVUIACQC-CQSZACIVSA-N 2 2 334.493 1.704 20 0 EDADLP C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623194149 450441581 /nfs/dbraw/zinc/44/15/81/450441581.db2.gz XHWLLRKWQTUFDS-UKPHBRMFSA-N 2 2 345.491 1.360 20 0 EDADLP C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623194149 450441584 /nfs/dbraw/zinc/44/15/84/450441584.db2.gz XHWLLRKWQTUFDS-UKPHBRMFSA-N 2 2 345.491 1.360 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)C1(F)F ZINC000625646885 450464925 /nfs/dbraw/zinc/46/49/25/450464925.db2.gz LECOOUZMLIYUBX-OKILXGFUSA-N 2 2 347.450 1.437 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)C1(F)F ZINC000625646885 450464926 /nfs/dbraw/zinc/46/49/26/450464926.db2.gz LECOOUZMLIYUBX-OKILXGFUSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC(F)(F)CC2)C1 ZINC000625767150 450501558 /nfs/dbraw/zinc/50/15/58/450501558.db2.gz NITFHFQPUCUHBN-OAHLLOKOSA-N 2 2 347.450 1.581 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC(F)(F)CC2)C1 ZINC000625767150 450501562 /nfs/dbraw/zinc/50/15/62/450501562.db2.gz NITFHFQPUCUHBN-OAHLLOKOSA-N 2 2 347.450 1.581 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCCC(F)(F)CC2)C1 ZINC000625767150 450501567 /nfs/dbraw/zinc/50/15/67/450501567.db2.gz NITFHFQPUCUHBN-OAHLLOKOSA-N 2 2 347.450 1.581 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCCC(F)(F)CC2)C1 ZINC000625767150 450501572 /nfs/dbraw/zinc/50/15/72/450501572.db2.gz NITFHFQPUCUHBN-OAHLLOKOSA-N 2 2 347.450 1.581 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)c1ccccc1 ZINC000623368962 450507049 /nfs/dbraw/zinc/50/70/49/450507049.db2.gz HGKCBPGGAYYLPD-ROUUACIJSA-N 2 2 348.491 1.699 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)c1ccccc1 ZINC000623368962 450507051 /nfs/dbraw/zinc/50/70/51/450507051.db2.gz HGKCBPGGAYYLPD-ROUUACIJSA-N 2 2 348.491 1.699 20 0 EDADLP CCn1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)n1 ZINC000625856708 450522476 /nfs/dbraw/zinc/52/24/76/450522476.db2.gz JVOJOPQHAPRQPC-UHFFFAOYSA-N 2 2 347.507 1.892 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000620727659 450536357 /nfs/dbraw/zinc/53/63/57/450536357.db2.gz XNANSPCEDDUVJY-SFHVURJKSA-N 2 2 344.503 1.261 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000620727659 450536359 /nfs/dbraw/zinc/53/63/59/450536359.db2.gz XNANSPCEDDUVJY-SFHVURJKSA-N 2 2 344.503 1.261 20 0 EDADLP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000623619392 450552997 /nfs/dbraw/zinc/55/29/97/450552997.db2.gz DKZJVEBZUJJEHI-HNNXBMFYSA-N 2 2 345.447 1.418 20 0 EDADLP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000623619392 450552999 /nfs/dbraw/zinc/55/29/99/450552999.db2.gz DKZJVEBZUJJEHI-HNNXBMFYSA-N 2 2 345.447 1.418 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087550 450572455 /nfs/dbraw/zinc/57/24/55/450572455.db2.gz RTNKKDDPMPYAFP-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620917167 450561049 /nfs/dbraw/zinc/56/10/49/450561049.db2.gz BYYULWRVGDGAMG-ZBFHGGJFSA-N 2 2 334.464 1.690 20 0 EDADLP C[NH+](C)C1(CNc2nc3ccccc3n3c[nH+]cc23)CCOCC1 ZINC000623970842 450655697 /nfs/dbraw/zinc/65/56/97/450655697.db2.gz BOTFJWDUKUWUAP-UHFFFAOYSA-N 2 2 325.416 2.405 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(O)c(Cl)c2)CC1 ZINC000631625964 450683772 /nfs/dbraw/zinc/68/37/72/450683772.db2.gz SSJKAQDYTBZBFK-UHFFFAOYSA-N 2 2 339.867 1.730 20 0 EDADLP CCOc1cncc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000621328519 450688055 /nfs/dbraw/zinc/68/80/55/450688055.db2.gz VXRRNJDTTZOIGE-LJQANCHMSA-N 2 2 341.455 1.989 20 0 EDADLP CCOc1cncc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000621328519 450688061 /nfs/dbraw/zinc/68/80/61/450688061.db2.gz VXRRNJDTTZOIGE-LJQANCHMSA-N 2 2 341.455 1.989 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2COCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000624074655 450695719 /nfs/dbraw/zinc/69/57/19/450695719.db2.gz JCMHJPZFFBUTRG-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2COCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000624074655 450695726 /nfs/dbraw/zinc/69/57/26/450695726.db2.gz JCMHJPZFFBUTRG-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000624074655 450695732 /nfs/dbraw/zinc/69/57/32/450695732.db2.gz JCMHJPZFFBUTRG-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2COCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000624074655 450695738 /nfs/dbraw/zinc/69/57/38/450695738.db2.gz JCMHJPZFFBUTRG-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP COCCCN(C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1)C1CC[NH+](C)CC1 ZINC000627403064 450707193 /nfs/dbraw/zinc/70/71/93/450707193.db2.gz XZGMKRIXHOPVAB-MRXNPFEDSA-N 2 2 348.491 1.713 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000629535782 450727035 /nfs/dbraw/zinc/72/70/35/450727035.db2.gz DPZIBNVBCSPQCS-NFAWXSAZSA-N 2 2 325.478 1.728 20 0 EDADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)c1ccsc1 ZINC000631720744 450731552 /nfs/dbraw/zinc/73/15/52/450731552.db2.gz MLSCDLFVITXNRV-HNNXBMFYSA-N 2 2 345.534 1.756 20 0 EDADLP COc1ccc(F)c(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000621546831 450766644 /nfs/dbraw/zinc/76/66/44/450766644.db2.gz VHEFEHSLIBVOBI-UHFFFAOYSA-N 2 2 340.443 1.517 20 0 EDADLP COc1ccc(F)c(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000621546831 450766648 /nfs/dbraw/zinc/76/66/48/450766648.db2.gz VHEFEHSLIBVOBI-UHFFFAOYSA-N 2 2 340.443 1.517 20 0 EDADLP CCCOc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC000629652546 450770426 /nfs/dbraw/zinc/77/04/26/450770426.db2.gz GVYXOLGIHKHZRW-UHFFFAOYSA-N 2 2 332.404 1.728 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000635279580 450810009 /nfs/dbraw/zinc/81/00/09/450810009.db2.gz PBYFENCYEZUGKI-UHFFFAOYSA-N 2 2 329.448 1.400 20 0 EDADLP Cc1ccc(SCCNC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631869464 450837353 /nfs/dbraw/zinc/83/73/53/450837353.db2.gz MXKRGAWXCMWVQO-QAPCUYQASA-N 2 2 333.501 1.935 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887741 450849583 /nfs/dbraw/zinc/84/95/83/450849583.db2.gz QDYPTKXYMMTHBS-ZWKOTPCHSA-N 2 2 331.460 1.523 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887741 450849590 /nfs/dbraw/zinc/84/95/90/450849590.db2.gz QDYPTKXYMMTHBS-ZWKOTPCHSA-N 2 2 331.460 1.523 20 0 EDADLP Cc1[nH]c2nc[nH+]c(NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)c2c1C ZINC000624508297 450874415 /nfs/dbraw/zinc/87/44/15/450874415.db2.gz AKDYGOWOCMPGPJ-GOSISDBHSA-N 2 2 345.447 1.602 20 0 EDADLP Cc1[nH]c2nc[nH+]c(NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)c2c1C ZINC000624508297 450874419 /nfs/dbraw/zinc/87/44/19/450874419.db2.gz AKDYGOWOCMPGPJ-GOSISDBHSA-N 2 2 345.447 1.602 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000635382560 450894640 /nfs/dbraw/zinc/89/46/40/450894640.db2.gz KKCZVTQVCXPEHB-QZTJIDSGSA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000635382560 450894646 /nfs/dbraw/zinc/89/46/46/450894646.db2.gz KKCZVTQVCXPEHB-QZTJIDSGSA-N 2 2 331.460 1.726 20 0 EDADLP CCC(C)(C)[C@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000635458076 450957724 /nfs/dbraw/zinc/95/77/24/450957724.db2.gz QPZXRUHOEZAEJX-MRXNPFEDSA-N 2 2 325.497 1.458 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCO1 ZINC000635464659 450964490 /nfs/dbraw/zinc/96/44/90/450964490.db2.gz HWFLCWMONJLTNH-NWDGAFQWSA-N 2 2 334.342 1.214 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CCO1 ZINC000635464659 450964495 /nfs/dbraw/zinc/96/44/95/450964495.db2.gz HWFLCWMONJLTNH-NWDGAFQWSA-N 2 2 334.342 1.214 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626925132 451008917 /nfs/dbraw/zinc/00/89/17/451008917.db2.gz ICORKCOIOGILTA-UHFFFAOYSA-N 2 2 331.420 1.152 20 0 EDADLP CC(C)C[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000635560281 451057681 /nfs/dbraw/zinc/05/76/81/451057681.db2.gz JWSRQMFDMQZZHK-IRXDYDNUSA-N 2 2 335.496 1.470 20 0 EDADLP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C[NH+]1CCOCC1 ZINC000635589532 451086494 /nfs/dbraw/zinc/08/64/94/451086494.db2.gz AMXKWZJNXLRYKA-AWEZNQCLSA-N 2 2 344.415 1.276 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627069745 451110282 /nfs/dbraw/zinc/11/02/82/451110282.db2.gz RXPONQZLDYYBFR-CABCVRRESA-N 2 2 348.495 2.008 20 0 EDADLP CCC1([NH+]2CCCC2)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000633955690 451121935 /nfs/dbraw/zinc/12/19/35/451121935.db2.gz DFSJOVJSAQNHOM-UHFFFAOYSA-N 2 2 337.508 1.964 20 0 EDADLP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627130252 451141009 /nfs/dbraw/zinc/14/10/09/451141009.db2.gz OTRXNAQAWLMCIP-SJORKVTESA-N 3 2 349.523 1.081 20 0 EDADLP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627130252 451141014 /nfs/dbraw/zinc/14/10/14/451141014.db2.gz OTRXNAQAWLMCIP-SJORKVTESA-N 3 2 349.523 1.081 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000627179581 451169016 /nfs/dbraw/zinc/16/90/16/451169016.db2.gz XGDAKSWLKLSJNI-HIFRSBDPSA-N 2 2 348.495 2.089 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)[nH+]1 ZINC000635716236 451195052 /nfs/dbraw/zinc/19/50/52/451195052.db2.gz QMUHIHDVNSIXMA-UHFFFAOYSA-N 2 2 347.507 1.532 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000627235975 451202663 /nfs/dbraw/zinc/20/26/63/451202663.db2.gz AFMPOURMAIJJAZ-VSLUYMRVSA-N 2 2 328.460 1.777 20 0 EDADLP CC(C)(CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCOCC1 ZINC000630465102 451205048 /nfs/dbraw/zinc/20/50/48/451205048.db2.gz MVZPYKDMFSQMSW-UHFFFAOYSA-N 2 2 342.443 1.642 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635734540 451205652 /nfs/dbraw/zinc/20/56/52/451205652.db2.gz ONBYVTLZTCTBHU-NXHRZFHOSA-N 3 2 338.540 1.732 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635734540 451205657 /nfs/dbraw/zinc/20/56/57/451205657.db2.gz ONBYVTLZTCTBHU-NXHRZFHOSA-N 3 2 338.540 1.732 20 0 EDADLP Cc1c[nH]c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC000628278102 451207744 /nfs/dbraw/zinc/20/77/44/451207744.db2.gz ZMAANYXCQJGATF-UHFFFAOYSA-N 2 2 333.480 1.532 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CN3CCCCCC3=O)c2)CC1 ZINC000634198658 451235203 /nfs/dbraw/zinc/23/52/03/451235203.db2.gz SJNJCZYNXGVPPV-UHFFFAOYSA-N 2 2 345.447 1.175 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@@]2(C)C[NH2+]CCO2)c1)[NH+]1CCOCC1 ZINC000638100706 451267397 /nfs/dbraw/zinc/26/73/97/451267397.db2.gz MQGBAUFMIIMVEE-KBXCAEBGSA-N 2 2 333.432 1.397 20 0 EDADLP c1c(C[NH+]2CCN(c3ccccc3)CC2)nnn1CC[NH+]1CCCC1 ZINC000630618786 451279662 /nfs/dbraw/zinc/27/96/62/451279662.db2.gz DZTGCXMGKAOVGL-UHFFFAOYSA-N 2 2 340.475 1.696 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114447 451283227 /nfs/dbraw/zinc/28/32/27/451283227.db2.gz JMEAHYFEXPNFPM-MLGOLLRUSA-N 2 2 343.468 1.635 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114447 451283232 /nfs/dbraw/zinc/28/32/32/451283232.db2.gz JMEAHYFEXPNFPM-MLGOLLRUSA-N 2 2 343.468 1.635 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114447 451283237 /nfs/dbraw/zinc/28/32/37/451283237.db2.gz JMEAHYFEXPNFPM-MLGOLLRUSA-N 2 2 343.468 1.635 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114447 451283243 /nfs/dbraw/zinc/28/32/43/451283243.db2.gz JMEAHYFEXPNFPM-MLGOLLRUSA-N 2 2 343.468 1.635 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000636587477 451327344 /nfs/dbraw/zinc/32/73/44/451327344.db2.gz DRQXMMIWAZZSJN-YOEHRIQHSA-N 2 2 339.443 1.554 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[N@H+]1CCc2ccccc2C1 ZINC000636587477 451327348 /nfs/dbraw/zinc/32/73/48/451327348.db2.gz DRQXMMIWAZZSJN-YOEHRIQHSA-N 2 2 339.443 1.554 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])n1cc[nH+]c1 ZINC000638211293 451357265 /nfs/dbraw/zinc/35/72/65/451357265.db2.gz UDJJKARZGCOTSX-HZPDHXFCSA-N 2 2 349.479 1.316 20 0 EDADLP CC1(C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH+]1CCOCC1 ZINC000640510407 451359757 /nfs/dbraw/zinc/35/97/57/451359757.db2.gz GRKUMXPLYJCLLH-RRFJBIMHSA-N 2 2 332.448 1.061 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC000635918625 451363838 /nfs/dbraw/zinc/36/38/38/451363838.db2.gz DOIHGDSJTUFFBW-PKOBYXMFSA-N 2 2 345.487 1.483 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635918625 451363843 /nfs/dbraw/zinc/36/38/43/451363843.db2.gz DOIHGDSJTUFFBW-PKOBYXMFSA-N 2 2 345.487 1.483 20 0 EDADLP CC1CCC([NH+]2CCN(C(=O)C(=O)N(C)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000632522961 451365122 /nfs/dbraw/zinc/36/51/22/451365122.db2.gz XLZDRGZCNUSIJK-UHFFFAOYSA-N 2 2 347.463 1.091 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH3+])CCc1ccccc1)CC2 ZINC000638224355 451366925 /nfs/dbraw/zinc/36/69/25/451366925.db2.gz VZYHLRCKEUNNTK-KRWDZBQOSA-N 2 2 326.444 1.784 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000638273207 451392650 /nfs/dbraw/zinc/39/26/50/451392650.db2.gz ZAJRRDPSZIKTLH-LJQANCHMSA-N 2 2 346.519 1.779 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccco1 ZINC000636662027 451393192 /nfs/dbraw/zinc/39/31/92/451393192.db2.gz KQSNLXSUHJIQEU-HUUCEWRRSA-N 2 2 338.452 1.292 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)c1ccco1 ZINC000636662027 451393194 /nfs/dbraw/zinc/39/31/94/451393194.db2.gz KQSNLXSUHJIQEU-HUUCEWRRSA-N 2 2 338.452 1.292 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640570640 451416007 /nfs/dbraw/zinc/41/60/07/451416007.db2.gz WAHKQNBPMUEGNC-GDBMZVCRSA-N 2 2 347.463 1.470 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000638355424 451457835 /nfs/dbraw/zinc/45/78/35/451457835.db2.gz LTSSHXYXEFCPMH-AWEZNQCLSA-N 2 2 331.526 1.701 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000634708079 451485640 /nfs/dbraw/zinc/48/56/40/451485640.db2.gz PUROQTAYZXXUMC-BHIYHBOVSA-N 2 2 348.487 1.532 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000634708079 451485644 /nfs/dbraw/zinc/48/56/44/451485644.db2.gz PUROQTAYZXXUMC-BHIYHBOVSA-N 2 2 348.487 1.532 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634709785 451488490 /nfs/dbraw/zinc/48/84/90/451488490.db2.gz ODXNLCUKUFCCJP-SJLPKXTDSA-N 2 2 336.476 1.389 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634709785 451488495 /nfs/dbraw/zinc/48/84/95/451488495.db2.gz ODXNLCUKUFCCJP-SJLPKXTDSA-N 2 2 336.476 1.389 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)n1cc[nH+]c1 ZINC000638342313 451445904 /nfs/dbraw/zinc/44/59/04/451445904.db2.gz PSWHEHZKGGETHI-HZPDHXFCSA-N 2 2 345.451 1.384 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000630942335 451498835 /nfs/dbraw/zinc/49/88/35/451498835.db2.gz JMICBILCKVPAFM-INIZCTEOSA-N 2 2 328.416 1.917 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000630942335 451498841 /nfs/dbraw/zinc/49/88/41/451498841.db2.gz JMICBILCKVPAFM-INIZCTEOSA-N 2 2 328.416 1.917 20 0 EDADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000638458485 451526550 /nfs/dbraw/zinc/52/65/50/451526550.db2.gz DOERNFQMGNELFC-WBVHZDCISA-N 3 2 336.524 1.582 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)[nH+]1 ZINC000636126228 451530301 /nfs/dbraw/zinc/53/03/01/451530301.db2.gz YFRUWOGJSPMJTR-QGZVFWFLSA-N 2 2 326.444 1.900 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)[nH+]1 ZINC000636126228 451530305 /nfs/dbraw/zinc/53/03/05/451530305.db2.gz YFRUWOGJSPMJTR-QGZVFWFLSA-N 2 2 326.444 1.900 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000631029852 451542154 /nfs/dbraw/zinc/54/21/54/451542154.db2.gz GXFXFSATGHAXND-HNNXBMFYSA-N 2 2 348.520 1.999 20 0 EDADLP Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)on1 ZINC000631054264 451557322 /nfs/dbraw/zinc/55/73/22/451557322.db2.gz SQJDGJXQYBGAJJ-UHFFFAOYSA-N 2 2 331.416 1.984 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[C@@H]1C(F)(F)F ZINC000638554313 451574365 /nfs/dbraw/zinc/57/43/65/451574365.db2.gz DKQKJYZGUXNGOB-RYUDHWBXSA-N 2 2 326.322 1.934 20 0 EDADLP COc1ccc(Nc2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]cn2)c(OC)c1 ZINC000634810027 451565361 /nfs/dbraw/zinc/56/53/61/451565361.db2.gz JSMXDQCOINLGMX-PBKGOJFUSA-N 2 2 327.388 1.867 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H]1CCOC1 ZINC000631079751 451572562 /nfs/dbraw/zinc/57/25/62/451572562.db2.gz SIKADKIOYSTPHV-WMZOPIPTSA-N 2 2 334.460 1.912 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)n1cc[nH+]c1 ZINC000636207908 451584524 /nfs/dbraw/zinc/58/45/24/451584524.db2.gz NVNYSVVQWBAOOO-KRWDZBQOSA-N 2 2 334.464 1.794 20 0 EDADLP OCC1(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631152337 451611752 /nfs/dbraw/zinc/61/17/52/451611752.db2.gz OUIFYODDIQZENI-UHFFFAOYSA-N 2 2 334.460 1.650 20 0 EDADLP C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631114043 451590678 /nfs/dbraw/zinc/59/06/78/451590678.db2.gz PLOMFSHNIZXWSZ-ZMUQKWFASA-N 2 2 334.460 1.814 20 0 EDADLP C[NH+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632839201 451607003 /nfs/dbraw/zinc/60/70/03/451607003.db2.gz NRQQTENGKYUKIZ-UHFFFAOYSA-N 2 2 337.493 1.386 20 0 EDADLP FC(F)(F)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)n1cncn1 ZINC000631209076 451642063 /nfs/dbraw/zinc/64/20/63/451642063.db2.gz JHPKLMMCKHIXBX-ZDUSSCGKSA-N 2 2 337.309 1.752 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000638697688 451657648 /nfs/dbraw/zinc/65/76/48/451657648.db2.gz FGINGYACPPYVPB-JSGCOSHPSA-N 2 2 342.846 1.453 20 0 EDADLP C[C@@H]1CC(F)(F)CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636986802 451662282 /nfs/dbraw/zinc/66/22/82/451662282.db2.gz KTJNZEAWBRQLCJ-CYBMUJFWSA-N 2 2 332.439 1.842 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccccn2)CC1 ZINC000631276792 451677059 /nfs/dbraw/zinc/67/70/59/451677059.db2.gz SKDIYANQKWOBLK-UHFFFAOYSA-N 2 2 330.476 1.598 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccccn2)CC1 ZINC000631276792 451677062 /nfs/dbraw/zinc/67/70/62/451677062.db2.gz SKDIYANQKWOBLK-UHFFFAOYSA-N 2 2 330.476 1.598 20 0 EDADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638752824 451678858 /nfs/dbraw/zinc/67/88/58/451678858.db2.gz ZXHDMHVNVFKGJV-IAGOWNOFSA-N 2 2 347.459 1.710 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+]1C ZINC000636339948 451686883 /nfs/dbraw/zinc/68/68/83/451686883.db2.gz VFSOLEGMLAABNS-ZWKOTPCHSA-N 2 2 330.476 1.845 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+]1C ZINC000636339948 451686886 /nfs/dbraw/zinc/68/68/86/451686886.db2.gz VFSOLEGMLAABNS-ZWKOTPCHSA-N 2 2 330.476 1.845 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+]1C ZINC000636339948 451686889 /nfs/dbraw/zinc/68/68/89/451686889.db2.gz VFSOLEGMLAABNS-ZWKOTPCHSA-N 2 2 330.476 1.845 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+]1C ZINC000636339948 451686892 /nfs/dbraw/zinc/68/68/92/451686892.db2.gz VFSOLEGMLAABNS-ZWKOTPCHSA-N 2 2 330.476 1.845 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000637033004 451689715 /nfs/dbraw/zinc/68/97/15/451689715.db2.gz GYCJPQIWTPZYMV-ZMSDIMECSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000637033004 451689719 /nfs/dbraw/zinc/68/97/19/451689719.db2.gz GYCJPQIWTPZYMV-ZMSDIMECSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637033004 451689722 /nfs/dbraw/zinc/68/97/22/451689722.db2.gz GYCJPQIWTPZYMV-ZMSDIMECSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000637033004 451689725 /nfs/dbraw/zinc/68/97/25/451689725.db2.gz GYCJPQIWTPZYMV-ZMSDIMECSA-N 2 2 338.496 1.269 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784064 451691070 /nfs/dbraw/zinc/69/10/70/451691070.db2.gz DWVHCTXEYNWBTH-QGZVFWFLSA-N 2 2 346.475 1.379 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ncc4ccccn43)C2)CC1 ZINC000631258889 451667628 /nfs/dbraw/zinc/66/76/28/451667628.db2.gz DTKXXSSQJPRWEV-AWEZNQCLSA-N 2 2 327.432 1.233 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ncc4ccccn43)C2)CC1 ZINC000631258889 451667631 /nfs/dbraw/zinc/66/76/31/451667631.db2.gz DTKXXSSQJPRWEV-AWEZNQCLSA-N 2 2 327.432 1.233 20 0 EDADLP COCC[C@H]([NH3+])Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000640879356 451668728 /nfs/dbraw/zinc/66/87/28/451668728.db2.gz FWACKSJLIUPRKX-HNNXBMFYSA-N 2 2 326.404 1.418 20 0 EDADLP C[C@H](CNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1)C[NH+]1CCOCC1 ZINC000631420446 451732529 /nfs/dbraw/zinc/73/25/29/451732529.db2.gz QSZNYEUFILAKRD-CQSZACIVSA-N 2 2 328.416 1.775 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000638990983 451748866 /nfs/dbraw/zinc/74/88/66/451748866.db2.gz SBQJUJQHRMPSCJ-HIFRSBDPSA-N 2 2 334.489 1.639 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000639004656 451751079 /nfs/dbraw/zinc/75/10/79/451751079.db2.gz QROCMWUCKNBNEL-GOSISDBHSA-N 2 2 339.443 1.172 20 0 EDADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1(O)CCC1 ZINC000639062768 451760458 /nfs/dbraw/zinc/76/04/58/451760458.db2.gz UFJGHXDZOJEUOK-UHFFFAOYSA-N 2 2 334.460 1.744 20 0 EDADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1(O)CCC1 ZINC000639062768 451760460 /nfs/dbraw/zinc/76/04/60/451760460.db2.gz UFJGHXDZOJEUOK-UHFFFAOYSA-N 2 2 334.460 1.744 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000639072706 451761404 /nfs/dbraw/zinc/76/14/04/451761404.db2.gz ZGTWSOHCXRKCMU-NSHDSACASA-N 2 2 340.836 1.289 20 0 EDADLP O=c1c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cccn1C(F)F ZINC000639138975 451775080 /nfs/dbraw/zinc/77/50/80/451775080.db2.gz HOUNHNDDZBFGPV-AWEZNQCLSA-N 2 2 341.402 1.788 20 0 EDADLP O=c1c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cccn1C(F)F ZINC000639138975 451775081 /nfs/dbraw/zinc/77/50/81/451775081.db2.gz HOUNHNDDZBFGPV-AWEZNQCLSA-N 2 2 341.402 1.788 20 0 EDADLP C[N@H+](Cc1ccc(S(N)(=O)=O)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161909 451781803 /nfs/dbraw/zinc/78/18/03/451781803.db2.gz IWXPUTMPFXQANQ-PBWFPOADSA-N 2 2 341.452 1.530 20 0 EDADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161909 451781805 /nfs/dbraw/zinc/78/18/05/451781805.db2.gz IWXPUTMPFXQANQ-PBWFPOADSA-N 2 2 341.452 1.530 20 0 EDADLP C[NH+](Cc1ccc(S(N)(=O)=O)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161909 451781806 /nfs/dbraw/zinc/78/18/06/451781806.db2.gz IWXPUTMPFXQANQ-PBWFPOADSA-N 2 2 341.452 1.530 20 0 EDADLP C[NH+](Cc1ccc(S(N)(=O)=O)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161909 451781808 /nfs/dbraw/zinc/78/18/08/451781808.db2.gz IWXPUTMPFXQANQ-PBWFPOADSA-N 2 2 341.452 1.530 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641278928 451803203 /nfs/dbraw/zinc/80/32/03/451803203.db2.gz LHVWTCGJZWCGHK-HZPDHXFCSA-N 2 2 342.509 1.561 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000639327201 451828206 /nfs/dbraw/zinc/82/82/06/451828206.db2.gz LQUXKNKBFQLMBH-XUVXKRRUSA-N 2 2 347.503 1.444 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000639327201 451828210 /nfs/dbraw/zinc/82/82/10/451828210.db2.gz LQUXKNKBFQLMBH-XUVXKRRUSA-N 2 2 347.503 1.444 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000641324494 451848679 /nfs/dbraw/zinc/84/86/79/451848679.db2.gz UFHPDBXKYARGAD-HNNXBMFYSA-N 2 2 326.466 1.163 20 0 EDADLP CN(CC[NH+]1CCCCC1)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000651477538 451852224 /nfs/dbraw/zinc/85/22/24/451852224.db2.gz BYIZCBVBCBEPKK-INIZCTEOSA-N 2 2 333.480 1.750 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637442721 451858235 /nfs/dbraw/zinc/85/82/35/451858235.db2.gz IVHKOKBLMMTDOO-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637442721 451858244 /nfs/dbraw/zinc/85/82/44/451858244.db2.gz IVHKOKBLMMTDOO-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000644569193 451866256 /nfs/dbraw/zinc/86/62/56/451866256.db2.gz AAYGUIJKOIVGEJ-CABCVRRESA-N 2 2 336.432 1.619 20 0 EDADLP C[C@@H](C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)C[NH+]1CCOCC1 ZINC000644571967 451868542 /nfs/dbraw/zinc/86/85/42/451868542.db2.gz SOFXVIYTWYLLAE-JKSUJKDBSA-N 2 2 347.459 1.466 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000644579870 451874332 /nfs/dbraw/zinc/87/43/32/451874332.db2.gz USMKMMZXSCSKQO-UBDQQSCGSA-N 2 2 331.460 1.078 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000644579870 451874338 /nfs/dbraw/zinc/87/43/38/451874338.db2.gz USMKMMZXSCSKQO-UBDQQSCGSA-N 2 2 331.460 1.078 20 0 EDADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639472491 451885771 /nfs/dbraw/zinc/88/57/71/451885771.db2.gz KIFLMUZOOYCQPB-ICSRJNTNSA-N 2 2 345.487 1.614 20 0 EDADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639472491 451885776 /nfs/dbraw/zinc/88/57/76/451885776.db2.gz KIFLMUZOOYCQPB-ICSRJNTNSA-N 2 2 345.487 1.614 20 0 EDADLP CCC(=O)N[C@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639472491 451885781 /nfs/dbraw/zinc/88/57/81/451885781.db2.gz KIFLMUZOOYCQPB-ICSRJNTNSA-N 2 2 345.487 1.614 20 0 EDADLP CCC(=O)N[C@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639472491 451885786 /nfs/dbraw/zinc/88/57/86/451885786.db2.gz KIFLMUZOOYCQPB-ICSRJNTNSA-N 2 2 345.487 1.614 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000639498612 451905666 /nfs/dbraw/zinc/90/56/66/451905666.db2.gz XWNUXVUNMKLMBK-FGTMMUONSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000639498612 451905669 /nfs/dbraw/zinc/90/56/69/451905669.db2.gz XWNUXVUNMKLMBK-FGTMMUONSA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000642694564 451920564 /nfs/dbraw/zinc/92/05/64/451920564.db2.gz PARAFAJTUXCYIK-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccs3)CC2)Cc2ccccc2C1 ZINC000649280487 451952183 /nfs/dbraw/zinc/95/21/83/451952183.db2.gz ZDIWGULCQGTXTR-UHFFFAOYSA-N 2 2 341.480 1.889 20 0 EDADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000649285606 451959441 /nfs/dbraw/zinc/95/94/41/451959441.db2.gz HOOGXJGGOFKPDF-GOEBONIOSA-N 2 2 344.459 1.401 20 0 EDADLP O=c1[nH]ccc2c1C[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)CC2 ZINC000639635930 451987851 /nfs/dbraw/zinc/98/78/51/451987851.db2.gz VGYMOZUIEMKLNE-FQEVSTJZSA-N 2 2 339.439 1.782 20 0 EDADLP O=c1[nH]ccc2c1C[N@@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)CC2 ZINC000639635930 451987853 /nfs/dbraw/zinc/98/78/53/451987853.db2.gz VGYMOZUIEMKLNE-FQEVSTJZSA-N 2 2 339.439 1.782 20 0 EDADLP O=c1[nH]ccc2c1C[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000639635930 451987855 /nfs/dbraw/zinc/98/78/55/451987855.db2.gz VGYMOZUIEMKLNE-FQEVSTJZSA-N 2 2 339.439 1.782 20 0 EDADLP O=c1[nH]ccc2c1C[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000639635930 451987858 /nfs/dbraw/zinc/98/78/58/451987858.db2.gz VGYMOZUIEMKLNE-FQEVSTJZSA-N 2 2 339.439 1.782 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000637661622 452004720 /nfs/dbraw/zinc/00/47/20/452004720.db2.gz AGXPBHRKLUDEIP-HZPDHXFCSA-N 2 2 331.464 1.469 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cccc2c1CCOC2 ZINC000637699143 452027245 /nfs/dbraw/zinc/02/72/45/452027245.db2.gz NQNWUXUQAOVCSV-UHFFFAOYSA-N 2 2 348.491 1.442 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cccc2c1CCOC2 ZINC000637699143 452027258 /nfs/dbraw/zinc/02/72/58/452027258.db2.gz NQNWUXUQAOVCSV-UHFFFAOYSA-N 2 2 348.491 1.442 20 0 EDADLP COc1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1C ZINC000653588111 452027920 /nfs/dbraw/zinc/02/79/20/452027920.db2.gz FEUSHTFRGWNEQO-QGZVFWFLSA-N 2 2 331.460 1.918 20 0 EDADLP COc1cc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1C ZINC000653588111 452027928 /nfs/dbraw/zinc/02/79/28/452027928.db2.gz FEUSHTFRGWNEQO-QGZVFWFLSA-N 2 2 331.460 1.918 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)o1 ZINC000649345885 452028620 /nfs/dbraw/zinc/02/86/20/452028620.db2.gz QWQZCGBCQISAND-WVZRYYJFSA-N 2 2 332.448 1.296 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)o1 ZINC000649345885 452028623 /nfs/dbraw/zinc/02/86/23/452028623.db2.gz QWQZCGBCQISAND-WVZRYYJFSA-N 2 2 332.448 1.296 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000649352429 452035714 /nfs/dbraw/zinc/03/57/14/452035714.db2.gz RBQIVNVGKNWUFH-IKGGRYGDSA-N 2 2 345.491 1.468 20 0 EDADLP Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3nc(C(C)(C)[NH3+])no3)C2)nn1 ZINC000649412563 452076615 /nfs/dbraw/zinc/07/66/15/452076615.db2.gz SUKYPHOBQGNKLM-ZDUSSCGKSA-N 2 2 345.451 1.463 20 0 EDADLP Cc1ccc(N2CCC[C@H]([N@@H+](C)Cc3nc(C(C)(C)[NH3+])no3)C2)nn1 ZINC000649412563 452076619 /nfs/dbraw/zinc/07/66/19/452076619.db2.gz SUKYPHOBQGNKLM-ZDUSSCGKSA-N 2 2 345.451 1.463 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000649415339 452078147 /nfs/dbraw/zinc/07/81/47/452078147.db2.gz VUHPHULMGGWWRZ-XHSDSOJGSA-N 2 2 331.464 1.380 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000649415339 452078153 /nfs/dbraw/zinc/07/81/53/452078153.db2.gz VUHPHULMGGWWRZ-XHSDSOJGSA-N 2 2 331.464 1.380 20 0 EDADLP c1nnc([C@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954244 452085233 /nfs/dbraw/zinc/08/52/33/452085233.db2.gz MPRHIIMQQNKWST-ZWKOTPCHSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954244 452085238 /nfs/dbraw/zinc/08/52/38/452085238.db2.gz MPRHIIMQQNKWST-ZWKOTPCHSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954244 452085247 /nfs/dbraw/zinc/08/52/47/452085247.db2.gz MPRHIIMQQNKWST-ZWKOTPCHSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954244 452085253 /nfs/dbraw/zinc/08/52/53/452085253.db2.gz MPRHIIMQQNKWST-ZWKOTPCHSA-N 2 2 341.459 1.885 20 0 EDADLP c1ncn([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)n1 ZINC000643252179 452097350 /nfs/dbraw/zinc/09/73/50/452097350.db2.gz HZFWFWSUUYIEBV-GOSISDBHSA-N 2 2 327.432 1.557 20 0 EDADLP c1ncn([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)n1 ZINC000643252179 452097353 /nfs/dbraw/zinc/09/73/53/452097353.db2.gz HZFWFWSUUYIEBV-GOSISDBHSA-N 2 2 327.432 1.557 20 0 EDADLP C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1CC(C)(C)O ZINC000651848257 452115128 /nfs/dbraw/zinc/11/51/28/452115128.db2.gz KFVKIBKHHXPUMQ-AWEZNQCLSA-N 2 2 334.464 1.066 20 0 EDADLP C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1CC(C)(C)O ZINC000651848257 452115136 /nfs/dbraw/zinc/11/51/36/452115136.db2.gz KFVKIBKHHXPUMQ-AWEZNQCLSA-N 2 2 334.464 1.066 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000639776423 452120794 /nfs/dbraw/zinc/12/07/94/452120794.db2.gz ALPOEEDMHPVMTI-ZWKOTPCHSA-N 2 2 341.459 1.966 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000639776423 452120797 /nfs/dbraw/zinc/12/07/97/452120797.db2.gz ALPOEEDMHPVMTI-ZWKOTPCHSA-N 2 2 341.459 1.966 20 0 EDADLP COCCc1ncc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000637871063 452125857 /nfs/dbraw/zinc/12/58/57/452125857.db2.gz ZCSWSDGYIUJMNW-UHFFFAOYSA-N 2 2 338.521 1.545 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000643328129 452134194 /nfs/dbraw/zinc/13/41/94/452134194.db2.gz SLAIUHNJARJNQJ-KRWDZBQOSA-N 2 2 337.439 1.330 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@H]3CCC[N@@H+]3C)CC2)cc(OC)c1 ZINC000649546942 452138256 /nfs/dbraw/zinc/13/82/56/452138256.db2.gz FTZVSRSLPDKKPJ-QGZVFWFLSA-N 2 2 333.476 1.916 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@H]3CCC[N@H+]3C)CC2)cc(OC)c1 ZINC000649546942 452138266 /nfs/dbraw/zinc/13/82/66/452138266.db2.gz FTZVSRSLPDKKPJ-QGZVFWFLSA-N 2 2 333.476 1.916 20 0 EDADLP Cc1ncc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000639858361 452192881 /nfs/dbraw/zinc/19/28/81/452192881.db2.gz SDKDQUGWIRZDOO-UHFFFAOYSA-N 2 2 334.464 1.592 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654020511 452205998 /nfs/dbraw/zinc/20/59/98/452205998.db2.gz FEEUJRMOJCHXLD-GASCZTMLSA-N 2 2 347.463 1.688 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCC3([NH+](C)C)CCCC3)nc[nH+]2)C1 ZINC000665691594 452248293 /nfs/dbraw/zinc/24/82/93/452248293.db2.gz XBRNVOCVMAJJFO-GJZGRUSLSA-N 2 2 333.480 1.970 20 0 EDADLP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000655467902 452260098 /nfs/dbraw/zinc/26/00/98/452260098.db2.gz AFCJKNIFJUSPSK-WBVHZDCISA-N 2 2 334.489 1.567 20 0 EDADLP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000655467902 452260110 /nfs/dbraw/zinc/26/01/10/452260110.db2.gz AFCJKNIFJUSPSK-WBVHZDCISA-N 2 2 334.489 1.567 20 0 EDADLP c1[nH+]c2n(c1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1)CCC2 ZINC000657466101 452266179 /nfs/dbraw/zinc/26/61/79/452266179.db2.gz AKVUXMYALHEIRZ-AWEZNQCLSA-N 2 2 328.416 1.929 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)c1cccc(F)c1 ZINC000659429180 452271265 /nfs/dbraw/zinc/27/12/65/452271265.db2.gz KOMOYBONPDABMX-KVIBHRHWSA-N 2 2 343.406 1.781 20 0 EDADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000639988609 452319104 /nfs/dbraw/zinc/31/91/04/452319104.db2.gz VLZOSKDBZDRSPI-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CCO[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1C[NH3+] ZINC000652126189 452322069 /nfs/dbraw/zinc/32/20/69/452322069.db2.gz XXAUEEQMRRSCHJ-HZPDHXFCSA-N 2 2 347.463 1.187 20 0 EDADLP CC1(O)CCN(c2cc(NCC[NH+]3CCSCC3)nc[nH+]2)CC1 ZINC000663596793 452324398 /nfs/dbraw/zinc/32/43/98/452324398.db2.gz KRABNVHZPMGZOA-UHFFFAOYSA-N 2 2 337.493 1.289 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NC/C=C\C[NH3+] ZINC000641863091 452329068 /nfs/dbraw/zinc/32/90/68/452329068.db2.gz XRJRCGVVBDSMFX-OSJSJHBBSA-N 2 2 346.475 1.434 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000647593802 452330849 /nfs/dbraw/zinc/33/08/49/452330849.db2.gz JPHYPJCRESKWKD-HUUCEWRRSA-N 2 2 334.464 1.261 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000647593802 452330860 /nfs/dbraw/zinc/33/08/60/452330860.db2.gz JPHYPJCRESKWKD-HUUCEWRRSA-N 2 2 334.464 1.261 20 0 EDADLP [NH3+]Cc1ncc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000638078496 452391947 /nfs/dbraw/zinc/39/19/47/452391947.db2.gz CMAAYZRGAWQERW-UHFFFAOYSA-N 2 2 327.388 1.020 20 0 EDADLP CCc1nc(C(C)C)ccc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051711 452395151 /nfs/dbraw/zinc/39/51/51/452395151.db2.gz XAANAXFQZRWOLK-UHFFFAOYSA-N 2 2 332.492 1.973 20 0 EDADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051711 452395160 /nfs/dbraw/zinc/39/51/60/452395160.db2.gz XAANAXFQZRWOLK-UHFFFAOYSA-N 2 2 332.492 1.973 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc2ccccc2[nH]c1=O ZINC000640057843 452398490 /nfs/dbraw/zinc/39/84/90/452398490.db2.gz FOADDBUIKZCOMW-UHFFFAOYSA-N 2 2 328.416 1.146 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc2ccccc2[nH]c1=O ZINC000640057843 452398498 /nfs/dbraw/zinc/39/84/98/452398498.db2.gz FOADDBUIKZCOMW-UHFFFAOYSA-N 2 2 328.416 1.146 20 0 EDADLP [NH3+]CCC[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000659545675 452405285 /nfs/dbraw/zinc/40/52/85/452405285.db2.gz SFLAWDDEEIBPMT-QZTJIDSGSA-N 2 2 346.475 1.583 20 0 EDADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652228677 452420093 /nfs/dbraw/zinc/42/00/93/452420093.db2.gz NVUJHPRJLBVTTC-UHFFFAOYSA-N 2 2 335.496 1.104 20 0 EDADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652228677 452420098 /nfs/dbraw/zinc/42/00/98/452420098.db2.gz NVUJHPRJLBVTTC-UHFFFAOYSA-N 2 2 335.496 1.104 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C3([NH+](C)C)CC3)CC2)cc1 ZINC000665899766 452451903 /nfs/dbraw/zinc/45/19/03/452451903.db2.gz MMQRIGKGMGXVNT-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)C3([NH+](C)C)CC3)CC2)cc1 ZINC000665899766 452451910 /nfs/dbraw/zinc/45/19/10/452451910.db2.gz MMQRIGKGMGXVNT-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP CCNc1nccnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000663731873 452465760 /nfs/dbraw/zinc/46/57/60/452465760.db2.gz NUEPJVQKZTZOMX-UHFFFAOYSA-N 2 2 332.496 1.903 20 0 EDADLP O=C(NCCC1CC[NH2+]CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000652309051 452487331 /nfs/dbraw/zinc/48/73/31/452487331.db2.gz AWORXHBZVYLVJS-UHFFFAOYSA-N 2 2 336.505 1.965 20 0 EDADLP C[C@@]12COC[C@H]1C[N@H+](CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000661700128 452502884 /nfs/dbraw/zinc/50/28/84/452502884.db2.gz WWMXMABNCKAJMP-CRAIPNDOSA-N 2 2 349.500 1.361 20 0 EDADLP C[C@@]12COC[C@H]1C[N@@H+](CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000661700128 452502891 /nfs/dbraw/zinc/50/28/91/452502891.db2.gz WWMXMABNCKAJMP-CRAIPNDOSA-N 2 2 349.500 1.361 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000659647018 452507973 /nfs/dbraw/zinc/50/79/73/452507973.db2.gz RUJOJDHZFZCZAT-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000659647855 452509941 /nfs/dbraw/zinc/50/99/41/452509941.db2.gz XZULWSSHZYBCCA-HUUCEWRRSA-N 2 2 334.464 1.691 20 0 EDADLP Cc1c(N2CC[C@H](C[NH+](C)C)C2)nc[nH+]c1N1CC[C@H](C[NH+](C)C)C1 ZINC000663786418 452516896 /nfs/dbraw/zinc/51/68/96/452516896.db2.gz AYEHSCHDBOZTAE-IAGOWNOFSA-N 3 2 346.523 1.561 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000663790439 452521587 /nfs/dbraw/zinc/52/15/87/452521587.db2.gz BMCWETOUWGAYLK-IRXDYDNUSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000663790439 452521595 /nfs/dbraw/zinc/52/15/95/452521595.db2.gz BMCWETOUWGAYLK-IRXDYDNUSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663790439 452521602 /nfs/dbraw/zinc/52/16/02/452521602.db2.gz BMCWETOUWGAYLK-IRXDYDNUSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663790439 452521611 /nfs/dbraw/zinc/52/16/11/452521611.db2.gz BMCWETOUWGAYLK-IRXDYDNUSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000663790438 452522215 /nfs/dbraw/zinc/52/22/15/452522215.db2.gz BMCWETOUWGAYLK-IAGOWNOFSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000663790438 452522222 /nfs/dbraw/zinc/52/22/22/452522222.db2.gz BMCWETOUWGAYLK-IAGOWNOFSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663790438 452522226 /nfs/dbraw/zinc/52/22/26/452522226.db2.gz BMCWETOUWGAYLK-IAGOWNOFSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663790438 452522230 /nfs/dbraw/zinc/52/22/30/452522230.db2.gz BMCWETOUWGAYLK-IAGOWNOFSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350736 452527237 /nfs/dbraw/zinc/52/72/37/452527237.db2.gz CXDZAGZGEHDOOR-YEWDVWPNSA-N 2 2 330.432 1.173 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350736 452527243 /nfs/dbraw/zinc/52/72/43/452527243.db2.gz CXDZAGZGEHDOOR-YEWDVWPNSA-N 2 2 330.432 1.173 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(F)cc3C)C2=O)C[C@H]1C[NH3+] ZINC000652356734 452535796 /nfs/dbraw/zinc/53/57/96/452535796.db2.gz CXXNOPBFTYQWMD-ZTFGCOKTSA-N 2 2 349.450 1.925 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(F)cc3C)C2=O)C[C@H]1C[NH3+] ZINC000652356734 452535800 /nfs/dbraw/zinc/53/58/00/452535800.db2.gz CXXNOPBFTYQWMD-ZTFGCOKTSA-N 2 2 349.450 1.925 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000657801927 452538610 /nfs/dbraw/zinc/53/86/10/452538610.db2.gz VQUUSDQXRCVZFL-IBGZPJMESA-N 2 2 327.476 1.634 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000657801927 452538616 /nfs/dbraw/zinc/53/86/16/452538616.db2.gz VQUUSDQXRCVZFL-IBGZPJMESA-N 2 2 327.476 1.634 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H]2CCCCN(Cc3nc(C)no3)C2=O)CC1 ZINC000643735257 452553324 /nfs/dbraw/zinc/55/33/24/452553324.db2.gz CEIUUTWUGNMZFH-OAHLLOKOSA-N 2 2 335.452 1.333 20 0 EDADLP c1cc(CN2CCOCC2)[nH+]c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655749075 452557016 /nfs/dbraw/zinc/55/70/16/452557016.db2.gz OSEKMPAXKIJPAU-SFHVURJKSA-N 2 2 346.475 1.579 20 0 EDADLP c1cc(C[NH+]2CCOCC2)nc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655749075 452557024 /nfs/dbraw/zinc/55/70/24/452557024.db2.gz OSEKMPAXKIJPAU-SFHVURJKSA-N 2 2 346.475 1.579 20 0 EDADLP Cc1ccncc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370805 452558120 /nfs/dbraw/zinc/55/81/20/452558120.db2.gz PSPIKQPZTBHABG-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1ccncc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370805 452558130 /nfs/dbraw/zinc/55/81/30/452558130.db2.gz PSPIKQPZTBHABG-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP OCCCN1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655772682 452570324 /nfs/dbraw/zinc/57/03/24/452570324.db2.gz ZYOCZRVNQNOUNE-ROUUACIJSA-N 2 2 325.497 1.066 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc(Cl)ccc1F ZINC000647835234 452570322 /nfs/dbraw/zinc/57/03/22/452570322.db2.gz RRDLNRRWHSUTIF-UHFFFAOYSA-N 2 2 328.819 1.255 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc(Cl)ccc1F ZINC000647835234 452570331 /nfs/dbraw/zinc/57/03/31/452570331.db2.gz RRDLNRRWHSUTIF-UHFFFAOYSA-N 2 2 328.819 1.255 20 0 EDADLP Cc1ccc(CNC(=O)NCCc2cn(C)c[nH+]2)c(N2CCCC2)[nH+]1 ZINC000655786424 452581433 /nfs/dbraw/zinc/58/14/33/452581433.db2.gz RPVUITNFTDJATR-UHFFFAOYSA-N 2 2 342.447 1.766 20 0 EDADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CCO1 ZINC000647862487 452597745 /nfs/dbraw/zinc/59/77/45/452597745.db2.gz QCDMIHRAMAKKRH-JCGIZDLHSA-N 2 2 331.460 1.618 20 0 EDADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CCO1 ZINC000647862487 452597751 /nfs/dbraw/zinc/59/77/51/452597751.db2.gz QCDMIHRAMAKKRH-JCGIZDLHSA-N 2 2 331.460 1.618 20 0 EDADLP CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000647886051 452626366 /nfs/dbraw/zinc/62/63/66/452626366.db2.gz MJWPGAXTKPUFOP-ZDUSSCGKSA-N 2 2 329.366 1.863 20 0 EDADLP CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000647886051 452626374 /nfs/dbraw/zinc/62/63/74/452626374.db2.gz MJWPGAXTKPUFOP-ZDUSSCGKSA-N 2 2 329.366 1.863 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000647899256 452640475 /nfs/dbraw/zinc/64/04/75/452640475.db2.gz DZTRFXNZCFUYJW-JKSUJKDBSA-N 2 2 345.443 1.496 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000647899256 452640486 /nfs/dbraw/zinc/64/04/86/452640486.db2.gz DZTRFXNZCFUYJW-JKSUJKDBSA-N 2 2 345.443 1.496 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899668 452641589 /nfs/dbraw/zinc/64/15/89/452641589.db2.gz RVPIELUKTVQDNX-FUHWJXTLSA-N 2 2 331.460 1.775 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899668 452641598 /nfs/dbraw/zinc/64/15/98/452641598.db2.gz RVPIELUKTVQDNX-FUHWJXTLSA-N 2 2 331.460 1.775 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1=O ZINC000657970925 452649689 /nfs/dbraw/zinc/64/96/89/452649689.db2.gz PZBQDGBGYVUXCJ-CYBMUJFWSA-N 2 2 326.391 1.589 20 0 EDADLP Cc1ncsc1C[N@H+](CCCCS(C)(=O)=O)C[C@H]1CC[NH2+]C1 ZINC000647915633 452653174 /nfs/dbraw/zinc/65/31/74/452653174.db2.gz MCUQDRGAEFFUMY-AWEZNQCLSA-N 2 2 345.534 1.688 20 0 EDADLP Cc1ncsc1C[N@@H+](CCCCS(C)(=O)=O)C[C@H]1CC[NH2+]C1 ZINC000647915633 452653182 /nfs/dbraw/zinc/65/31/82/452653182.db2.gz MCUQDRGAEFFUMY-AWEZNQCLSA-N 2 2 345.534 1.688 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)cc2[nH+]1 ZINC000658000927 452675057 /nfs/dbraw/zinc/67/50/57/452675057.db2.gz HGLSYZABFZPZEN-HNNXBMFYSA-N 2 2 343.431 1.522 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)cc2[nH+]1 ZINC000658000927 452675066 /nfs/dbraw/zinc/67/50/66/452675066.db2.gz HGLSYZABFZPZEN-HNNXBMFYSA-N 2 2 343.431 1.522 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647939805 452680621 /nfs/dbraw/zinc/68/06/21/452680621.db2.gz BMNMVHNVBYKSNN-HOTGVXAUSA-N 2 2 349.475 1.422 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647939805 452680628 /nfs/dbraw/zinc/68/06/28/452680628.db2.gz BMNMVHNVBYKSNN-HOTGVXAUSA-N 2 2 349.475 1.422 20 0 EDADLP c1[nH+]cn2c1CN(C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000647939651 452682551 /nfs/dbraw/zinc/68/25/51/452682551.db2.gz VWBNWPVXFSNVOL-LJQANCHMSA-N 2 2 326.444 1.990 20 0 EDADLP c1[nH+]cn2c1CN(C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000647939651 452682563 /nfs/dbraw/zinc/68/25/63/452682563.db2.gz VWBNWPVXFSNVOL-LJQANCHMSA-N 2 2 326.444 1.990 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)C(F)(F)F ZINC000655923742 452689317 /nfs/dbraw/zinc/68/93/17/452689317.db2.gz XVIFMFPXEFPERG-ZDUSSCGKSA-N 2 2 348.344 1.543 20 0 EDADLP Nc1[nH+]cccc1Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000664006863 452708404 /nfs/dbraw/zinc/70/84/04/452708404.db2.gz LULXYDWQMZNLRI-UHFFFAOYSA-N 2 2 347.422 1.827 20 0 EDADLP Nc1[nH+]cccc1Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000664006863 452708412 /nfs/dbraw/zinc/70/84/12/452708412.db2.gz LULXYDWQMZNLRI-UHFFFAOYSA-N 2 2 347.422 1.827 20 0 EDADLP COc1cc2c(cc1OC)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2 ZINC000659853125 452736340 /nfs/dbraw/zinc/73/63/40/452736340.db2.gz DRCURSFOEVJYRR-KRWDZBQOSA-N 2 2 336.476 1.806 20 0 EDADLP COc1cc2c(cc1OC)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2 ZINC000659853125 452736347 /nfs/dbraw/zinc/73/63/47/452736347.db2.gz DRCURSFOEVJYRR-KRWDZBQOSA-N 2 2 336.476 1.806 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000659852823 452737298 /nfs/dbraw/zinc/73/72/98/452737298.db2.gz CCLXEHMMINPGKE-INIZCTEOSA-N 2 2 339.505 1.643 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000659852823 452737306 /nfs/dbraw/zinc/73/73/06/452737306.db2.gz CCLXEHMMINPGKE-INIZCTEOSA-N 2 2 339.505 1.643 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000643886694 452794319 /nfs/dbraw/zinc/79/43/19/452794319.db2.gz NKUQICWSXFIEOC-AAEUAGOBSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000643886694 452794329 /nfs/dbraw/zinc/79/43/29/452794329.db2.gz NKUQICWSXFIEOC-AAEUAGOBSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[NH+]1C ZINC000643886694 452794337 /nfs/dbraw/zinc/79/43/37/452794337.db2.gz NKUQICWSXFIEOC-AAEUAGOBSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[NH+]1C ZINC000643886694 452794346 /nfs/dbraw/zinc/79/43/46/452794346.db2.gz NKUQICWSXFIEOC-AAEUAGOBSA-N 2 2 345.896 1.902 20 0 EDADLP Oc1ccc2c(c1)[C@H]([NH2+]C1CCN(CC[NH+]3CCOCC3)CC1)CC2 ZINC000658241881 452803639 /nfs/dbraw/zinc/80/36/39/452803639.db2.gz XENCXAJZUGVRMU-HXUWFJFHSA-N 2 2 345.487 1.766 20 0 EDADLP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCN3CCOCC3)CC1)CC2 ZINC000658241881 452803643 /nfs/dbraw/zinc/80/36/43/452803643.db2.gz XENCXAJZUGVRMU-HXUWFJFHSA-N 2 2 345.487 1.766 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000648130117 452844959 /nfs/dbraw/zinc/84/49/59/452844959.db2.gz JAOOVPQSYKXAMM-ZBFHGGJFSA-N 2 2 327.432 1.965 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000656081244 452848115 /nfs/dbraw/zinc/84/81/15/452848115.db2.gz QSWBFWIGKKKQOZ-UHFFFAOYSA-N 2 2 349.479 1.064 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C3CC3)nn2C)[C@H](C)C1 ZINC000645861117 452857442 /nfs/dbraw/zinc/85/74/42/452857442.db2.gz YWRXIZYJWDWKIB-GDBMZVCRSA-N 2 2 335.496 1.919 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C3CC3)nn2C)[C@H](C)C1 ZINC000645861117 452857446 /nfs/dbraw/zinc/85/74/46/452857446.db2.gz YWRXIZYJWDWKIB-GDBMZVCRSA-N 2 2 335.496 1.919 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(S(C)(=O)=O)cc1F ZINC000664194505 452867714 /nfs/dbraw/zinc/86/77/14/452867714.db2.gz FSBOSWNIACCHFT-ZDUSSCGKSA-N 2 2 345.484 1.913 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(S(C)(=O)=O)cc1F ZINC000664194505 452867723 /nfs/dbraw/zinc/86/77/23/452867723.db2.gz FSBOSWNIACCHFT-ZDUSSCGKSA-N 2 2 345.484 1.913 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654738391 452867980 /nfs/dbraw/zinc/86/79/80/452867980.db2.gz OKJJPRXKBNICDC-CVEARBPZSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654738391 452867984 /nfs/dbraw/zinc/86/79/84/452867984.db2.gz OKJJPRXKBNICDC-CVEARBPZSA-N 2 2 338.496 1.413 20 0 EDADLP O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCc2nc(-c3ccccc3)no2)C1 ZINC000643962143 452873569 /nfs/dbraw/zinc/87/35/69/452873569.db2.gz NYNXSOZEJARWAR-BBWFWOEESA-N 2 2 342.443 1.856 20 0 EDADLP O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCc2nc(-c3ccccc3)no2)C1 ZINC000643962143 452873580 /nfs/dbraw/zinc/87/35/80/452873580.db2.gz NYNXSOZEJARWAR-BBWFWOEESA-N 2 2 342.443 1.856 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662158275 452896015 /nfs/dbraw/zinc/89/60/15/452896015.db2.gz VFKJJLVOIDBCHL-KONPQCLYSA-N 2 2 337.508 1.695 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662158275 452896025 /nfs/dbraw/zinc/89/60/25/452896025.db2.gz VFKJJLVOIDBCHL-KONPQCLYSA-N 2 2 337.508 1.695 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CCN(Cc3[nH+]ccn3Cc3ccccc3)CC2)C1 ZINC000662158955 452898928 /nfs/dbraw/zinc/89/89/28/452898928.db2.gz VWBXBHILNZOISY-LJQANCHMSA-N 2 2 340.471 1.962 20 0 EDADLP O[C@@H]1CC[N@H+](C2CCN(Cc3[nH+]ccn3Cc3ccccc3)CC2)C1 ZINC000662158955 452898933 /nfs/dbraw/zinc/89/89/33/452898933.db2.gz VWBXBHILNZOISY-LJQANCHMSA-N 2 2 340.471 1.962 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000666492659 452911063 /nfs/dbraw/zinc/91/10/63/452911063.db2.gz JMZKLLVUPUWPQS-UHFFFAOYSA-N 2 2 332.448 1.824 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)CCN4)C2)CC1 ZINC000645978233 452964828 /nfs/dbraw/zinc/96/48/28/452964828.db2.gz YRHBGQSELUCQSZ-INIZCTEOSA-N 2 2 328.460 1.553 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)CCN4)C2)CC1 ZINC000645978233 452964837 /nfs/dbraw/zinc/96/48/37/452964837.db2.gz YRHBGQSELUCQSZ-INIZCTEOSA-N 2 2 328.460 1.553 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000645977679 452965022 /nfs/dbraw/zinc/96/50/22/452965022.db2.gz IJPICGHRYPSJCJ-RHSMWYFYSA-N 3 2 330.476 1.605 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000645977679 452965029 /nfs/dbraw/zinc/96/50/29/452965029.db2.gz IJPICGHRYPSJCJ-RHSMWYFYSA-N 3 2 330.476 1.605 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000645977681 452966547 /nfs/dbraw/zinc/96/65/47/452966547.db2.gz IJPICGHRYPSJCJ-YOEHRIQHSA-N 3 2 330.476 1.605 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000645977681 452966556 /nfs/dbraw/zinc/96/65/56/452966556.db2.gz IJPICGHRYPSJCJ-YOEHRIQHSA-N 3 2 330.476 1.605 20 0 EDADLP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656254817 452991913 /nfs/dbraw/zinc/99/19/13/452991913.db2.gz CJDNVTNDFWRLQI-IKGGRYGDSA-N 2 2 334.464 1.483 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327516 453045478 /nfs/dbraw/zinc/04/54/78/453045478.db2.gz QGDOUEJKCJDKSW-GOSISDBHSA-N 3 2 335.496 1.027 20 0 EDADLP CCC[C@H](C)[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000650876794 453077513 /nfs/dbraw/zinc/07/75/13/453077513.db2.gz GTLDJZKCYZWIJJ-YQQAZPJKSA-N 2 2 340.512 1.251 20 0 EDADLP CCC[C@H](C)[C@@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000650876794 453077519 /nfs/dbraw/zinc/07/75/19/453077519.db2.gz GTLDJZKCYZWIJJ-YQQAZPJKSA-N 2 2 340.512 1.251 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000654962145 453080025 /nfs/dbraw/zinc/08/00/25/453080025.db2.gz COHONZPATNUWGD-HNNXBMFYSA-N 2 2 328.420 1.384 20 0 EDADLP CC(C)N1CC[NH+](C2CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)CC1 ZINC000654970265 453090275 /nfs/dbraw/zinc/09/02/75/453090275.db2.gz JCHOAWAFWKFLTQ-UHFFFAOYSA-N 2 2 336.524 1.345 20 0 EDADLP CC(C)[NH+]1CCN(C2CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)CC1 ZINC000654970265 453090289 /nfs/dbraw/zinc/09/02/89/453090289.db2.gz JCHOAWAFWKFLTQ-UHFFFAOYSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102046 453104788 /nfs/dbraw/zinc/10/47/88/453104788.db2.gz CKBPMUIGAZZNQC-IKGGRYGDSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102046 453104794 /nfs/dbraw/zinc/10/47/94/453104794.db2.gz CKBPMUIGAZZNQC-IKGGRYGDSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC[NH2+]1 ZINC000660188672 453120612 /nfs/dbraw/zinc/12/06/12/453120612.db2.gz SKALHTKJGVBNGD-INIZCTEOSA-N 2 2 348.472 1.550 20 0 EDADLP C[C@@H](COCC1CC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000650994861 453169861 /nfs/dbraw/zinc/16/98/61/453169861.db2.gz UJTQHQSNDSBHBH-AWEZNQCLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ncon3)C2)CC[N@@H+]1C ZINC000646159408 453171194 /nfs/dbraw/zinc/17/11/94/453171194.db2.gz DXKGMHSOOXOTGJ-KKUMJFAQSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ncon3)C2)CC[N@H+]1C ZINC000646159408 453171202 /nfs/dbraw/zinc/17/12/02/453171202.db2.gz DXKGMHSOOXOTGJ-KKUMJFAQSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)CC[NH+]1C ZINC000646159408 453171205 /nfs/dbraw/zinc/17/12/05/453171205.db2.gz DXKGMHSOOXOTGJ-KKUMJFAQSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)CC[NH+]1C ZINC000646159408 453171212 /nfs/dbraw/zinc/17/12/12/453171212.db2.gz DXKGMHSOOXOTGJ-KKUMJFAQSA-N 2 2 335.452 1.128 20 0 EDADLP CC[C@H](C(=O)N(C)CC[NH+]1CCCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000652991928 453181209 /nfs/dbraw/zinc/18/12/09/453181209.db2.gz WZPSYXBPDPCECH-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP CC[C@H](C(=O)N(C)CC[NH+]1CCCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000652991928 453181215 /nfs/dbraw/zinc/18/12/15/453181215.db2.gz WZPSYXBPDPCECH-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000664550752 453188326 /nfs/dbraw/zinc/18/83/26/453188326.db2.gz GPKVZCILWQVBFL-HOTGVXAUSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000664550752 453188330 /nfs/dbraw/zinc/18/83/30/453188330.db2.gz GPKVZCILWQVBFL-HOTGVXAUSA-N 2 2 342.528 1.763 20 0 EDADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000655070403 453193650 /nfs/dbraw/zinc/19/36/50/453193650.db2.gz AHMNJFJSGABUSX-ZBFHGGJFSA-N 2 2 334.489 1.532 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000648719699 453206273 /nfs/dbraw/zinc/20/62/73/453206273.db2.gz IIMCPYGLXVNNNI-JKSUJKDBSA-N 2 2 336.480 1.870 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000648719699 453206284 /nfs/dbraw/zinc/20/62/84/453206284.db2.gz IIMCPYGLXVNNNI-JKSUJKDBSA-N 2 2 336.480 1.870 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662506924 453223005 /nfs/dbraw/zinc/22/30/05/453223005.db2.gz OSJWKHVTHLRJSD-AWEZNQCLSA-N 2 2 341.415 1.545 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CC[N@@H+]1C ZINC000648735622 453223903 /nfs/dbraw/zinc/22/39/03/453223903.db2.gz YTGZSIYTHFHPEO-JYYAWHABSA-N 2 2 346.475 1.652 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CC[N@H+]1C ZINC000648735622 453223910 /nfs/dbraw/zinc/22/39/10/453223910.db2.gz YTGZSIYTHFHPEO-JYYAWHABSA-N 2 2 346.475 1.652 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000646220225 453231675 /nfs/dbraw/zinc/23/16/75/453231675.db2.gz MRIVPWHXIRRNQV-KRWDZBQOSA-N 2 2 328.416 1.118 20 0 EDADLP COc1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1N1CCCC1=O ZINC000653062797 453238445 /nfs/dbraw/zinc/23/84/45/453238445.db2.gz KHNGECSEDPIJGW-CYBMUJFWSA-N 2 2 334.420 1.040 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)cn21 ZINC000646235028 453246893 /nfs/dbraw/zinc/24/68/93/453246893.db2.gz YWPPRRNZFYVYAB-UKRRQHHQSA-N 2 2 329.448 1.812 20 0 EDADLP COCCOc1c(Cl)cccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653079861 453259998 /nfs/dbraw/zinc/25/99/98/453259998.db2.gz PSTLACOSANOKRM-GFCCVEGCSA-N 2 2 329.828 1.583 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000660386751 453261791 /nfs/dbraw/zinc/26/17/91/453261791.db2.gz QDJCPKJBUNCJBK-UHFFFAOYSA-N 2 2 331.420 1.692 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000660386751 453261797 /nfs/dbraw/zinc/26/17/97/453261797.db2.gz QDJCPKJBUNCJBK-UHFFFAOYSA-N 2 2 331.420 1.692 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000653084917 453266858 /nfs/dbraw/zinc/26/68/58/453266858.db2.gz XPCRWXBCXNVWHM-GJZGRUSLSA-N 2 2 333.432 1.400 20 0 EDADLP CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653086144 453268938 /nfs/dbraw/zinc/26/89/38/453268938.db2.gz HYGGXPQUBZFHQT-MRXNPFEDSA-N 2 2 334.464 1.016 20 0 EDADLP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CCn2c[nH+]cc2C1 ZINC000666948128 453273347 /nfs/dbraw/zinc/27/33/47/453273347.db2.gz KEGOGGRYTKMPAU-HZPDHXFCSA-N 2 2 345.447 1.052 20 0 EDADLP CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc2NC1=O ZINC000653097085 453280281 /nfs/dbraw/zinc/28/02/81/453280281.db2.gz CMUSKVFDYSCMEF-WHOFXGATSA-N 2 2 348.447 1.252 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000651131009 453301042 /nfs/dbraw/zinc/30/10/42/453301042.db2.gz DJABMYZBSOVACY-KRWDZBQOSA-N 2 2 341.459 1.971 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000651131009 453301048 /nfs/dbraw/zinc/30/10/48/453301048.db2.gz DJABMYZBSOVACY-KRWDZBQOSA-N 2 2 341.459 1.971 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCOc1cccc2cccnc21 ZINC000653117400 453305937 /nfs/dbraw/zinc/30/59/37/453305937.db2.gz KTORJHFELBAWKA-HNNXBMFYSA-N 2 2 330.432 1.399 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119177 453308384 /nfs/dbraw/zinc/30/83/84/453308384.db2.gz AJOBPYJGBDSSGA-HZPDHXFCSA-N 2 2 336.455 1.498 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121031 453311038 /nfs/dbraw/zinc/31/10/38/453311038.db2.gz LGEABTFHZCSOOU-JFIYKMOQSA-N 3 2 346.519 1.538 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(C)c2)CC1 ZINC000653123726 453318074 /nfs/dbraw/zinc/31/80/74/453318074.db2.gz FIHMATSBNHHRDG-KRWDZBQOSA-N 3 2 347.507 1.354 20 0 EDADLP C[N@H+](CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000660452338 453321695 /nfs/dbraw/zinc/32/16/95/453321695.db2.gz SYVOWCOOFRFXOR-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP C[N@@H+](CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000660452338 453321703 /nfs/dbraw/zinc/32/17/03/453321703.db2.gz SYVOWCOOFRFXOR-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000653155173 453345199 /nfs/dbraw/zinc/34/51/99/453345199.db2.gz KOJLBYXNVLNNLF-IAQYHMDHSA-N 2 2 342.846 1.453 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C)CO1 ZINC000664743964 453368199 /nfs/dbraw/zinc/36/81/99/453368199.db2.gz YXSQVNLONHCHLH-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C)CO1 ZINC000664743964 453368210 /nfs/dbraw/zinc/36/82/10/453368210.db2.gz YXSQVNLONHCHLH-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP COCc1cnc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000667069961 453386387 /nfs/dbraw/zinc/38/63/87/453386387.db2.gz RNTHTBWGBUHKBX-UHFFFAOYSA-N 2 2 329.470 1.295 20 0 EDADLP COCc1cnc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000667069961 453386395 /nfs/dbraw/zinc/38/63/95/453386395.db2.gz RNTHTBWGBUHKBX-UHFFFAOYSA-N 2 2 329.470 1.295 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000655293570 453408701 /nfs/dbraw/zinc/40/87/01/453408701.db2.gz QJJKUACLRNJBMO-XHSDSOJGSA-N 2 2 337.851 1.220 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000655293570 453408705 /nfs/dbraw/zinc/40/87/05/453408705.db2.gz QJJKUACLRNJBMO-XHSDSOJGSA-N 2 2 337.851 1.220 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)s1 ZINC000662714295 453438068 /nfs/dbraw/zinc/43/80/68/453438068.db2.gz YPEQQQWAMYXYFN-JKSUJKDBSA-N 2 2 337.489 1.319 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000662740654 453467523 /nfs/dbraw/zinc/46/75/23/453467523.db2.gz AOWNALKBESTUCB-MRXNPFEDSA-N 2 2 342.443 1.284 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000662740654 453467535 /nfs/dbraw/zinc/46/75/35/453467535.db2.gz AOWNALKBESTUCB-MRXNPFEDSA-N 2 2 342.443 1.284 20 0 EDADLP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662743731 453471087 /nfs/dbraw/zinc/47/10/87/453471087.db2.gz LLGNNSYDPGLMOQ-QZTJIDSGSA-N 2 2 332.492 1.292 20 0 EDADLP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662743731 453471096 /nfs/dbraw/zinc/47/10/96/453471096.db2.gz LLGNNSYDPGLMOQ-QZTJIDSGSA-N 2 2 332.492 1.292 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1[nH+]ccn1C ZINC000667246787 453506781 /nfs/dbraw/zinc/50/67/81/453506781.db2.gz QCOQDIKBTITJHG-LSDHHAIUSA-N 2 2 335.452 1.377 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@@H](C[NH3+])C1 ZINC000667279418 453530285 /nfs/dbraw/zinc/53/02/85/453530285.db2.gz WALSRSLLJHRQLC-JTQLQIEISA-N 2 2 338.362 1.607 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000655449809 453536624 /nfs/dbraw/zinc/53/66/24/453536624.db2.gz QATSTURDZITHML-IEBWSBKVSA-N 3 2 348.535 1.443 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660733414 453552268 /nfs/dbraw/zinc/55/22/68/453552268.db2.gz ABWWCBAQBZWZGQ-OAHLLOKOSA-N 2 2 335.452 1.155 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662851048 453571313 /nfs/dbraw/zinc/57/13/13/453571313.db2.gz VNHNZKMBNINSKE-OTWHNJEPSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662851048 453571315 /nfs/dbraw/zinc/57/13/15/453571315.db2.gz VNHNZKMBNINSKE-OTWHNJEPSA-N 2 2 343.471 1.630 20 0 EDADLP COCCOC[C@@H](O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857692 453615074 /nfs/dbraw/zinc/61/50/74/453615074.db2.gz VQDUOFJNLAPDNL-INIZCTEOSA-N 2 2 347.459 1.841 20 0 EDADLP CS(=O)(=O)C1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000665263106 453629765 /nfs/dbraw/zinc/62/97/65/453629765.db2.gz GGDQLVDQIYSAGV-GJZGRUSLSA-N 2 2 330.494 1.091 20 0 EDADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000665277489 453633284 /nfs/dbraw/zinc/63/32/84/453633284.db2.gz CKGZLENFCLQJTE-TUBUQKNSSA-N 2 2 335.473 1.629 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665293717 453640733 /nfs/dbraw/zinc/64/07/33/453640733.db2.gz BHQFAMWSMHEOLZ-ZIAGYGMSSA-N 2 2 327.494 1.976 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cncc(Cl)c1 ZINC000657070977 453660771 /nfs/dbraw/zinc/66/07/71/453660771.db2.gz DBOKVNAWCPFZEY-LBPRGKRZSA-N 2 2 348.900 1.285 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cncc(Cl)c1 ZINC000657070977 453660775 /nfs/dbraw/zinc/66/07/75/453660775.db2.gz DBOKVNAWCPFZEY-LBPRGKRZSA-N 2 2 348.900 1.285 20 0 EDADLP CCc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657093361 453676996 /nfs/dbraw/zinc/67/69/96/453676996.db2.gz YXSPJLVUVCVORA-UHFFFAOYSA-N 2 2 327.494 1.411 20 0 EDADLP CCc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657093361 453676999 /nfs/dbraw/zinc/67/69/99/453676999.db2.gz YXSPJLVUVCVORA-UHFFFAOYSA-N 2 2 327.494 1.411 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000665463085 453702470 /nfs/dbraw/zinc/70/24/70/453702470.db2.gz ZOZPOXIMHAJLRU-CRAIPNDOSA-N 2 2 329.444 1.622 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000665463085 453702474 /nfs/dbraw/zinc/70/24/74/453702474.db2.gz ZOZPOXIMHAJLRU-CRAIPNDOSA-N 2 2 329.444 1.622 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000665463085 453702478 /nfs/dbraw/zinc/70/24/78/453702478.db2.gz ZOZPOXIMHAJLRU-CRAIPNDOSA-N 2 2 329.444 1.622 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000665463085 453702483 /nfs/dbraw/zinc/70/24/83/453702483.db2.gz ZOZPOXIMHAJLRU-CRAIPNDOSA-N 2 2 329.444 1.622 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205288 453758543 /nfs/dbraw/zinc/75/85/43/453758543.db2.gz TWDAYKVNHCVTDD-KBPBESRZSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205288 453758545 /nfs/dbraw/zinc/75/85/45/453758545.db2.gz TWDAYKVNHCVTDD-KBPBESRZSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205288 453758548 /nfs/dbraw/zinc/75/85/48/453758548.db2.gz TWDAYKVNHCVTDD-KBPBESRZSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205288 453758551 /nfs/dbraw/zinc/75/85/51/453758551.db2.gz TWDAYKVNHCVTDD-KBPBESRZSA-N 2 2 331.464 1.973 20 0 EDADLP CC(C)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N1CC[NH+](C)CC1 ZINC000657304483 453760970 /nfs/dbraw/zinc/76/09/70/453760970.db2.gz YTZZJQQDKGUYJH-IBGZPJMESA-N 3 2 342.491 1.629 20 0 EDADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663304867 453762870 /nfs/dbraw/zinc/76/28/70/453762870.db2.gz UINCFQPZJKCXLB-APWZRJJASA-N 2 2 345.487 1.843 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657326809 453766741 /nfs/dbraw/zinc/76/67/41/453766741.db2.gz QMKKQMJKMZKLPQ-UHFFFAOYSA-N 2 2 348.472 1.806 20 0 EDADLP COc1cc(C[C@H](CO)C[NH2+]Cc2c[nH+]c3n2CCC3)cc(OC)c1 ZINC000657382114 453779017 /nfs/dbraw/zinc/77/90/17/453779017.db2.gz ATTACBAZDHTDBN-HNNXBMFYSA-N 2 2 345.443 1.787 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663372660 453782993 /nfs/dbraw/zinc/78/29/93/453782993.db2.gz OZTUXEOTSHZQIA-VQTJNVASSA-N 2 2 349.519 1.426 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663372660 453782995 /nfs/dbraw/zinc/78/29/95/453782995.db2.gz OZTUXEOTSHZQIA-VQTJNVASSA-N 2 2 349.519 1.426 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000663421279 453793606 /nfs/dbraw/zinc/79/36/06/453793606.db2.gz YJKNWIGFDLLAPQ-INIZCTEOSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676250250 486708900 /nfs/dbraw/zinc/70/89/00/486708900.db2.gz GAKQLMPWVRZRQM-JQHSSLGASA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676250250 486708905 /nfs/dbraw/zinc/70/89/05/486708905.db2.gz GAKQLMPWVRZRQM-JQHSSLGASA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676250250 486708907 /nfs/dbraw/zinc/70/89/07/486708907.db2.gz GAKQLMPWVRZRQM-JQHSSLGASA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676250250 486708912 /nfs/dbraw/zinc/70/89/12/486708912.db2.gz GAKQLMPWVRZRQM-JQHSSLGASA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000672668486 486757547 /nfs/dbraw/zinc/75/75/47/486757547.db2.gz NVBDFRMDXNFOMQ-UKRRQHHQSA-N 2 2 329.404 1.661 20 0 EDADLP Cc1[nH+]cc(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)n1C ZINC000667490266 486807212 /nfs/dbraw/zinc/80/72/12/486807212.db2.gz VWFVTSAQUTYYKQ-UHFFFAOYSA-N 2 2 333.480 1.249 20 0 EDADLP CCOC1CC(N(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672874981 486826818 /nfs/dbraw/zinc/82/68/18/486826818.db2.gz GBOJXZXQBFRDON-OOHWJJMZSA-N 2 2 338.496 1.364 20 0 EDADLP CCOC1CC(N(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000672874981 486826820 /nfs/dbraw/zinc/82/68/20/486826820.db2.gz GBOJXZXQBFRDON-OOHWJJMZSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000673058060 486897441 /nfs/dbraw/zinc/89/74/41/486897441.db2.gz RUTLGFKQUDWHOJ-WBVHZDCISA-N 2 2 326.444 1.989 20 0 EDADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000673058060 486897449 /nfs/dbraw/zinc/89/74/49/486897449.db2.gz RUTLGFKQUDWHOJ-WBVHZDCISA-N 2 2 326.444 1.989 20 0 EDADLP CCn1ccc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000667707898 486927448 /nfs/dbraw/zinc/92/74/48/486927448.db2.gz MDWBBJGOTXEUMX-XYPWUTKMSA-N 2 2 346.479 1.678 20 0 EDADLP CCn1ccc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000667707898 486927452 /nfs/dbraw/zinc/92/74/52/486927452.db2.gz MDWBBJGOTXEUMX-XYPWUTKMSA-N 2 2 346.479 1.678 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1 ZINC000681134269 486946916 /nfs/dbraw/zinc/94/69/16/486946916.db2.gz FMMZISZGSYZCMR-UHFFFAOYSA-N 2 2 330.436 1.313 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCOC(C)(C)C3)C2)CC1 ZINC000677158603 486988980 /nfs/dbraw/zinc/98/89/80/486988980.db2.gz VOVBKNCPABFRJD-LSDHHAIUSA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCOC(C)(C)C3)C2)CC1 ZINC000677158603 486988987 /nfs/dbraw/zinc/98/89/87/486988987.db2.gz VOVBKNCPABFRJD-LSDHHAIUSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1ccc(CCC[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c[nH+]1 ZINC000684404497 487050429 /nfs/dbraw/zinc/05/04/29/487050429.db2.gz BMOGFOWNKSDMNN-UHFFFAOYSA-N 2 2 348.468 1.878 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)o1 ZINC000668043840 487076077 /nfs/dbraw/zinc/07/60/77/487076077.db2.gz XGQWLSSVGPEKCX-HUUCEWRRSA-N 2 2 337.464 1.649 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)o1 ZINC000668043840 487076082 /nfs/dbraw/zinc/07/60/82/487076082.db2.gz XGQWLSSVGPEKCX-HUUCEWRRSA-N 2 2 337.464 1.649 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000677438263 487082040 /nfs/dbraw/zinc/08/20/40/487082040.db2.gz QFGKSSIDKWHAGF-AWEZNQCLSA-N 2 2 332.448 1.183 20 0 EDADLP CC(C)(CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCOCC1 ZINC000673863871 487138690 /nfs/dbraw/zinc/13/86/90/487138690.db2.gz LOCKXNWMJSTALX-UHFFFAOYSA-N 2 2 344.419 1.500 20 0 EDADLP Cn1ncc2c1CCC[C@@H]2NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674028027 487186147 /nfs/dbraw/zinc/18/61/47/487186147.db2.gz DUGXVCIGCJOLHP-INIZCTEOSA-N 2 2 348.495 1.123 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677986999 487221305 /nfs/dbraw/zinc/22/13/05/487221305.db2.gz AYPVMRNVGYZZAI-QRQLOZEOSA-N 2 2 347.503 1.573 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677986999 487221307 /nfs/dbraw/zinc/22/13/07/487221307.db2.gz AYPVMRNVGYZZAI-QRQLOZEOSA-N 2 2 347.503 1.573 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677986999 487221308 /nfs/dbraw/zinc/22/13/08/487221308.db2.gz AYPVMRNVGYZZAI-QRQLOZEOSA-N 2 2 347.503 1.573 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677986999 487221310 /nfs/dbraw/zinc/22/13/10/487221310.db2.gz AYPVMRNVGYZZAI-QRQLOZEOSA-N 2 2 347.503 1.573 20 0 EDADLP C[C@@H](C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000674245679 487222798 /nfs/dbraw/zinc/22/27/98/487222798.db2.gz SXQJWTHSSLNGQA-WMZOPIPTSA-N 2 2 332.492 1.432 20 0 EDADLP C[C@@H](C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000674245679 487222802 /nfs/dbraw/zinc/22/28/02/487222802.db2.gz SXQJWTHSSLNGQA-WMZOPIPTSA-N 2 2 332.492 1.432 20 0 EDADLP C[C@@H]1C(=O)CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000681993476 487273748 /nfs/dbraw/zinc/27/37/48/487273748.db2.gz LBZOTDCWVFBMEI-INMHGKMJSA-N 2 2 349.519 1.913 20 0 EDADLP C[C@@H]1C(=O)CC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000681993476 487273751 /nfs/dbraw/zinc/27/37/51/487273751.db2.gz LBZOTDCWVFBMEI-INMHGKMJSA-N 2 2 349.519 1.913 20 0 EDADLP COc1cc(C)[nH+]c(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000685457425 487278101 /nfs/dbraw/zinc/27/81/01/487278101.db2.gz BYVHYXQJUFSTST-GOSISDBHSA-N 3 2 332.492 1.999 20 0 EDADLP COc1cc(C)[nH+]c(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000685457425 487278103 /nfs/dbraw/zinc/27/81/03/487278103.db2.gz BYVHYXQJUFSTST-GOSISDBHSA-N 3 2 332.492 1.999 20 0 EDADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC(=O)NC2CC2)CC1 ZINC000678358925 487295772 /nfs/dbraw/zinc/29/57/72/487295772.db2.gz BSJKBKJPONSZHX-UHFFFAOYSA-N 2 2 336.867 1.460 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000674751321 487309708 /nfs/dbraw/zinc/30/97/08/487309708.db2.gz OXINFMVYUZLWQK-GJZGRUSLSA-N 2 2 326.466 1.192 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000674751321 487309711 /nfs/dbraw/zinc/30/97/11/487309711.db2.gz OXINFMVYUZLWQK-GJZGRUSLSA-N 2 2 326.466 1.192 20 0 EDADLP C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000685790328 487323984 /nfs/dbraw/zinc/32/39/84/487323984.db2.gz SJOCOUDCRJXWQB-CRAIPNDOSA-N 2 2 342.443 1.309 20 0 EDADLP C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000685790328 487323987 /nfs/dbraw/zinc/32/39/87/487323987.db2.gz SJOCOUDCRJXWQB-CRAIPNDOSA-N 2 2 342.443 1.309 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000682512224 487379046 /nfs/dbraw/zinc/37/90/46/487379046.db2.gz JESONSYTEBJWCA-HOTGVXAUSA-N 2 2 332.448 1.159 20 0 EDADLP O=S1(=O)CC(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000682519697 487380647 /nfs/dbraw/zinc/38/06/47/487380647.db2.gz YPQNSFJAZPEDIN-UHFFFAOYSA-N 2 2 344.400 1.057 20 0 EDADLP CCC(O)(CC)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682625366 487399302 /nfs/dbraw/zinc/39/93/02/487399302.db2.gz MORULVDGHUWERM-HNNXBMFYSA-N 2 2 340.512 1.395 20 0 EDADLP CCC(O)(CC)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682625366 487399303 /nfs/dbraw/zinc/39/93/03/487399303.db2.gz MORULVDGHUWERM-HNNXBMFYSA-N 2 2 340.512 1.395 20 0 EDADLP C[C@H](C[C@@H]1CCOC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000675427203 487406625 /nfs/dbraw/zinc/40/66/25/487406625.db2.gz FMHKOTCJHNBGTH-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP CCOc1ccc(OCC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000679381319 487420347 /nfs/dbraw/zinc/42/03/47/487420347.db2.gz VYIJPGLSNOVILN-UHFFFAOYSA-N 2 2 335.448 1.170 20 0 EDADLP CCOc1ccc(OCC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000679381319 487420348 /nfs/dbraw/zinc/42/03/48/487420348.db2.gz VYIJPGLSNOVILN-UHFFFAOYSA-N 2 2 335.448 1.170 20 0 EDADLP C[NH+](C)[C@@H](CNc1nc(N2CCOCC2)cc[nH+]1)Cc1ccccc1 ZINC000675719772 487438105 /nfs/dbraw/zinc/43/81/05/487438105.db2.gz GBZROMGUSLTKRM-QGZVFWFLSA-N 2 2 341.459 1.898 20 0 EDADLP CC[C@]1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000683044926 487445439 /nfs/dbraw/zinc/44/54/39/487445439.db2.gz LMOXANOFGAAYCO-SFHVURJKSA-N 2 2 332.448 1.279 20 0 EDADLP C[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000119059897 485495416 /nfs/dbraw/zinc/49/54/16/485495416.db2.gz PZNFTKISHLNLSU-CXAGYDPISA-N 2 2 345.443 1.943 20 0 EDADLP C[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000119059897 485495424 /nfs/dbraw/zinc/49/54/24/485495424.db2.gz PZNFTKISHLNLSU-CXAGYDPISA-N 2 2 345.443 1.943 20 0 EDADLP CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669550079 485542303 /nfs/dbraw/zinc/54/23/03/485542303.db2.gz UGPGTOOBAPKYQN-WQVCFCJDSA-N 2 2 338.427 1.186 20 0 EDADLP CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669550079 485542309 /nfs/dbraw/zinc/54/23/09/485542309.db2.gz UGPGTOOBAPKYQN-WQVCFCJDSA-N 2 2 338.427 1.186 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)on2)cn1 ZINC000670985633 485608396 /nfs/dbraw/zinc/60/83/96/485608396.db2.gz GBBXJDULNNLZMK-MRXNPFEDSA-N 2 2 345.447 1.762 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)on2)cn1 ZINC000670985633 485608404 /nfs/dbraw/zinc/60/84/04/485608404.db2.gz GBBXJDULNNLZMK-MRXNPFEDSA-N 2 2 345.447 1.762 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000670985594 485609243 /nfs/dbraw/zinc/60/92/43/485609243.db2.gz FFSLZDBYQLPAGC-KURKYZTESA-N 2 2 337.508 1.678 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000670985594 485609250 /nfs/dbraw/zinc/60/92/50/485609250.db2.gz FFSLZDBYQLPAGC-KURKYZTESA-N 2 2 337.508 1.678 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986350 485611404 /nfs/dbraw/zinc/61/14/04/485611404.db2.gz CQBITNAESJIPAI-ROUUACIJSA-N 2 2 337.508 1.964 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986350 485611408 /nfs/dbraw/zinc/61/14/08/485611408.db2.gz CQBITNAESJIPAI-ROUUACIJSA-N 2 2 337.508 1.964 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000669153519 485743958 /nfs/dbraw/zinc/74/39/58/485743958.db2.gz ITJIWNNTMNQWIJ-KRWDZBQOSA-N 2 2 335.427 1.525 20 0 EDADLP CC[N@@H+]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@H]1C ZINC000669631736 485908234 /nfs/dbraw/zinc/90/82/34/485908234.db2.gz INAWTKMYNMWTCW-OAHLLOKOSA-N 2 2 348.472 1.646 20 0 EDADLP CC[N@H+]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@H]1C ZINC000669631736 485908238 /nfs/dbraw/zinc/90/82/38/485908238.db2.gz INAWTKMYNMWTCW-OAHLLOKOSA-N 2 2 348.472 1.646 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)CC(C)(C)[NH3+])CCCC2)no1 ZINC000236933640 485946019 /nfs/dbraw/zinc/94/60/19/485946019.db2.gz BUZCOHJDYHLNOZ-UHFFFAOYSA-N 2 2 337.468 1.924 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnn3C(F)F)C2)CC1 ZINC000668640865 485984814 /nfs/dbraw/zinc/98/48/14/485984814.db2.gz XWWABWQXTYXYKY-NSHDSACASA-N 2 2 327.379 1.177 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnn3C(F)F)C2)CC1 ZINC000668640865 485984816 /nfs/dbraw/zinc/98/48/16/485984816.db2.gz XWWABWQXTYXYKY-NSHDSACASA-N 2 2 327.379 1.177 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(C[NH3+])o1 ZINC000237516633 485988413 /nfs/dbraw/zinc/98/84/13/485988413.db2.gz DPHZHPBUWVWHAY-AWEZNQCLSA-N 2 2 343.431 1.074 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672098557 485994181 /nfs/dbraw/zinc/99/41/81/485994181.db2.gz JZTBGWUFPNJRPI-WMLDXEAASA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672098557 485994188 /nfs/dbraw/zinc/99/41/88/485994188.db2.gz JZTBGWUFPNJRPI-WMLDXEAASA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000672098557 485994195 /nfs/dbraw/zinc/99/41/95/485994195.db2.gz JZTBGWUFPNJRPI-WMLDXEAASA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672098557 485994200 /nfs/dbraw/zinc/99/42/00/485994200.db2.gz JZTBGWUFPNJRPI-WMLDXEAASA-N 2 2 346.475 1.136 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670709019 486051057 /nfs/dbraw/zinc/05/10/57/486051057.db2.gz KJCLUXLVOQJQIC-INIZCTEOSA-N 2 2 347.463 1.039 20 0 EDADLP COc1cc2c(c(C[NH2+]C3(CCO)CC[NH+](C)CC3)c1)O[C@@H](C)C2 ZINC000515670799 486060506 /nfs/dbraw/zinc/06/05/06/486060506.db2.gz XMBCPWWKSFOLCB-AWEZNQCLSA-N 2 2 334.460 1.955 20 0 EDADLP O=c1ccccn1C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000669707195 486108906 /nfs/dbraw/zinc/10/89/06/486108906.db2.gz JTTKTJRZMXNJLO-OALUTQOASA-N 2 2 341.455 1.636 20 0 EDADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000629174238 486115282 /nfs/dbraw/zinc/11/52/82/486115282.db2.gz WZTYFNWQJXQDID-QZTJIDSGSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000629174238 486115289 /nfs/dbraw/zinc/11/52/89/486115289.db2.gz WZTYFNWQJXQDID-QZTJIDSGSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000629174238 486115296 /nfs/dbraw/zinc/11/52/96/486115296.db2.gz WZTYFNWQJXQDID-QZTJIDSGSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000629174238 486115299 /nfs/dbraw/zinc/11/52/99/486115299.db2.gz WZTYFNWQJXQDID-QZTJIDSGSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669486614 486252788 /nfs/dbraw/zinc/25/27/88/486252788.db2.gz MODDGUXDWNYUBC-KRWDZBQOSA-N 2 2 325.416 1.908 20 0 EDADLP O=C(c1cccc2c1CC[NH2+]C2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000392816775 486583305 /nfs/dbraw/zinc/58/33/05/486583305.db2.gz YWCVUCVXRJZORZ-UHFFFAOYSA-N 2 2 336.439 1.685 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000133940601 491223519 /nfs/dbraw/zinc/22/35/19/491223519.db2.gz OPLPDDMEJWHCLI-DOTOQJQBSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000133940601 491223520 /nfs/dbraw/zinc/22/35/20/491223520.db2.gz OPLPDDMEJWHCLI-DOTOQJQBSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000133940601 491223521 /nfs/dbraw/zinc/22/35/21/491223521.db2.gz OPLPDDMEJWHCLI-DOTOQJQBSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133940601 491223522 /nfs/dbraw/zinc/22/35/22/491223522.db2.gz OPLPDDMEJWHCLI-DOTOQJQBSA-N 2 2 334.464 1.137 20 0 EDADLP Cc1ccncc1[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000678447676 491010392 /nfs/dbraw/zinc/01/03/92/491010392.db2.gz RVVQNCRPSVHTAF-HNNXBMFYSA-N 2 2 333.480 1.776 20 0 EDADLP CC[NH+]1CCN(CC(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000073941315 491012378 /nfs/dbraw/zinc/01/23/78/491012378.db2.gz KSYUAWZBENRWLV-UHFFFAOYSA-N 2 2 341.459 1.400 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000130492560 534687925 /nfs/dbraw/zinc/68/79/25/534687925.db2.gz YZVDXVWIHUDTDP-CQSZACIVSA-N 2 2 329.448 1.097 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC2)cc[nH+]1 ZINC000185035841 534755121 /nfs/dbraw/zinc/75/51/21/534755121.db2.gz GHQKIRIYFIQLCZ-CQSZACIVSA-N 2 2 348.495 1.593 20 0 EDADLP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000187399072 527709505 /nfs/dbraw/zinc/70/95/05/527709505.db2.gz ASPBSAWCDASLRP-QGZVFWFLSA-N 2 2 332.448 1.098 20 0 EDADLP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000187399072 527709509 /nfs/dbraw/zinc/70/95/09/527709509.db2.gz ASPBSAWCDASLRP-QGZVFWFLSA-N 2 2 332.448 1.098 20 0 EDADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346349017 535494873 /nfs/dbraw/zinc/49/48/73/535494873.db2.gz IVOWSGYNRNPUHA-MRXNPFEDSA-N 2 2 349.460 1.089 20 0 EDADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346349017 535494877 /nfs/dbraw/zinc/49/48/77/535494877.db2.gz IVOWSGYNRNPUHA-MRXNPFEDSA-N 2 2 349.460 1.089 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000076004440 535599101 /nfs/dbraw/zinc/59/91/01/535599101.db2.gz OMBRNTHETFSMJJ-LSDHHAIUSA-N 2 2 326.485 1.520 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000076004440 535599111 /nfs/dbraw/zinc/59/91/11/535599111.db2.gz OMBRNTHETFSMJJ-LSDHHAIUSA-N 2 2 326.485 1.520 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246472085 535637193 /nfs/dbraw/zinc/63/71/93/535637193.db2.gz FZQURBOLBMSKJK-SCTDSRPQSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246472085 535637197 /nfs/dbraw/zinc/63/71/97/535637197.db2.gz FZQURBOLBMSKJK-SCTDSRPQSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246472085 535637205 /nfs/dbraw/zinc/63/72/05/535637205.db2.gz FZQURBOLBMSKJK-SCTDSRPQSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246472085 535637211 /nfs/dbraw/zinc/63/72/11/535637211.db2.gz FZQURBOLBMSKJK-SCTDSRPQSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246472085 535637216 /nfs/dbraw/zinc/63/72/16/535637216.db2.gz FZQURBOLBMSKJK-SCTDSRPQSA-N 2 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246472085 535637221 /nfs/dbraw/zinc/63/72/21/535637221.db2.gz FZQURBOLBMSKJK-SCTDSRPQSA-N 2 2 348.535 1.488 20 0 EDADLP CC[N@H+](C)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000066987387 535750196 /nfs/dbraw/zinc/75/01/96/535750196.db2.gz ANKJJGNEUSZTDT-GASCZTMLSA-N 2 2 349.479 1.446 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000066987387 535750200 /nfs/dbraw/zinc/75/02/00/535750200.db2.gz ANKJJGNEUSZTDT-GASCZTMLSA-N 2 2 349.479 1.446 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000262181758 535757660 /nfs/dbraw/zinc/75/76/60/535757660.db2.gz ZZXTWHQMZVAFMA-IBGZPJMESA-N 2 2 349.475 1.866 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000352865209 535764554 /nfs/dbraw/zinc/76/45/54/535764554.db2.gz FQJFBJLWDFCGJY-KBPBESRZSA-N 2 2 334.464 1.332 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000352865209 535764556 /nfs/dbraw/zinc/76/45/56/535764556.db2.gz FQJFBJLWDFCGJY-KBPBESRZSA-N 2 2 334.464 1.332 20 0 EDADLP C[NH+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000352632783 535955611 /nfs/dbraw/zinc/95/56/11/535955611.db2.gz IBMRAJXDJIDTQR-IXDOHACOSA-N 2 2 341.883 1.224 20 0 EDADLP C[NH+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000352632783 535955613 /nfs/dbraw/zinc/95/56/13/535955613.db2.gz IBMRAJXDJIDTQR-IXDOHACOSA-N 2 2 341.883 1.224 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)s1 ZINC000352754449 536059544 /nfs/dbraw/zinc/05/95/44/536059544.db2.gz IIJFCMDOWVGKOC-JTQLQIEISA-N 2 2 336.383 1.458 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246758495 536093324 /nfs/dbraw/zinc/09/33/24/536093324.db2.gz NPQZGYKZKLSTCD-WMZOPIPTSA-N 2 2 331.460 1.470 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246758495 536093326 /nfs/dbraw/zinc/09/33/26/536093326.db2.gz NPQZGYKZKLSTCD-WMZOPIPTSA-N 2 2 331.460 1.470 20 0 EDADLP CN(CC[NH+]1CCCC1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000345783398 536371473 /nfs/dbraw/zinc/37/14/73/536371473.db2.gz KHNKHYPWNOOEGZ-UHFFFAOYSA-N 2 2 331.460 1.687 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](C(C)(C)C)[C@H](O)C3)cn2)CC1 ZINC000332382684 536425526 /nfs/dbraw/zinc/42/55/26/536425526.db2.gz HOYKSOCINSEKOP-IAGOWNOFSA-N 2 2 347.507 1.457 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](C(C)(C)C)[C@H](O)C3)cn2)CC1 ZINC000332382684 536425529 /nfs/dbraw/zinc/42/55/29/536425529.db2.gz HOYKSOCINSEKOP-IAGOWNOFSA-N 2 2 347.507 1.457 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000262373233 536659955 /nfs/dbraw/zinc/65/99/55/536659955.db2.gz WXVLEUSPGBAMHU-IUODEOHRSA-N 2 2 325.840 1.519 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1ncc[nH]1 ZINC000353884222 546519325 /nfs/dbraw/zinc/51/93/25/546519325.db2.gz SNHHYOAJXNZDIE-NORZTCDRSA-N 2 2 328.420 1.689 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]1C ZINC000740882544 579388033 /nfs/dbraw/zinc/38/80/33/579388033.db2.gz JMBXFGSBDYUCGC-HOTGVXAUSA-N 2 2 339.480 1.157 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]1C ZINC000740882544 579388034 /nfs/dbraw/zinc/38/80/34/579388034.db2.gz JMBXFGSBDYUCGC-HOTGVXAUSA-N 2 2 339.480 1.157 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]1C ZINC000740882544 579388035 /nfs/dbraw/zinc/38/80/35/579388035.db2.gz JMBXFGSBDYUCGC-HOTGVXAUSA-N 2 2 339.480 1.157 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]1C ZINC000740882544 579388036 /nfs/dbraw/zinc/38/80/36/579388036.db2.gz JMBXFGSBDYUCGC-HOTGVXAUSA-N 2 2 339.480 1.157 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)cc2F)CC1 ZINC000742196692 579439852 /nfs/dbraw/zinc/43/98/52/579439852.db2.gz XVIGHSDTDAWJQZ-HNNXBMFYSA-N 2 2 348.466 1.744 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)cc2F)CC1 ZINC000742196692 579439853 /nfs/dbraw/zinc/43/98/53/579439853.db2.gz XVIGHSDTDAWJQZ-HNNXBMFYSA-N 2 2 348.466 1.744 20 0 EDADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000743847103 579492303 /nfs/dbraw/zinc/49/23/03/579492303.db2.gz YAJQSEDWLLBOMU-UYAOXDASSA-N 2 2 347.503 1.448 20 0 EDADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000743847103 579492304 /nfs/dbraw/zinc/49/23/04/579492304.db2.gz YAJQSEDWLLBOMU-UYAOXDASSA-N 2 2 347.503 1.448 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000726072667 578332280 /nfs/dbraw/zinc/33/22/80/578332280.db2.gz VELZIQCGGJGXMU-CVEARBPZSA-N 2 2 341.496 1.774 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000726072667 578332281 /nfs/dbraw/zinc/33/22/81/578332281.db2.gz VELZIQCGGJGXMU-CVEARBPZSA-N 2 2 341.496 1.774 20 0 EDADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000729430992 578574923 /nfs/dbraw/zinc/57/49/23/578574923.db2.gz DDBPQZAMFREILD-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000734263984 578805530 /nfs/dbraw/zinc/80/55/30/578805530.db2.gz QWIDHJZEGCAYHI-VXGBXAGGSA-N 2 2 349.306 1.648 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000734263984 578805531 /nfs/dbraw/zinc/80/55/31/578805531.db2.gz QWIDHJZEGCAYHI-VXGBXAGGSA-N 2 2 349.306 1.648 20 0 EDADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[NH+]1CCO[C@H](C)C1)CC2 ZINC000745792631 579562880 /nfs/dbraw/zinc/56/28/80/579562880.db2.gz QIPSDPWVBABNCS-ZACQAIPSSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[NH+]1CCO[C@H](C)C1)CC2 ZINC000745792631 579562882 /nfs/dbraw/zinc/56/28/82/579562882.db2.gz QIPSDPWVBABNCS-ZACQAIPSSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[N@@H+]1CCO[C@H](C)C1)CC2 ZINC000745792631 579562884 /nfs/dbraw/zinc/56/28/84/579562884.db2.gz QIPSDPWVBABNCS-ZACQAIPSSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[N@H+]1CCO[C@H](C)C1)CC2 ZINC000745792631 579562885 /nfs/dbraw/zinc/56/28/85/579562885.db2.gz QIPSDPWVBABNCS-ZACQAIPSSA-N 2 2 338.496 1.364 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=S)Nc2ccc(C(N)=O)cc2)CC1 ZINC000749006706 579709896 /nfs/dbraw/zinc/70/98/96/579709896.db2.gz VHWABUODEDDBBN-UHFFFAOYSA-N 2 2 349.504 1.098 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1[nH+]ccn1C ZINC000758413469 579982053 /nfs/dbraw/zinc/98/20/53/579982053.db2.gz IIIGUTIQPJZYBA-UHFFFAOYSA-N 2 2 343.431 1.428 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000759156825 579999887 /nfs/dbraw/zinc/99/98/87/579999887.db2.gz JHVZFVUVFXMICT-CPUCHLNUSA-N 2 2 348.472 1.606 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000759156825 579999888 /nfs/dbraw/zinc/99/98/88/579999888.db2.gz JHVZFVUVFXMICT-CPUCHLNUSA-N 2 2 348.472 1.606 20 0 EDADLP C[C@@H]1C[N@H+](CN2CCSC2=S)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763331738 580097851 /nfs/dbraw/zinc/09/78/51/580097851.db2.gz HTBKYJSFZCQONR-ZIAGYGMSSA-N 2 2 328.551 1.235 20 0 EDADLP C[C@@H]1C[N@@H+](CN2CCSC2=S)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763331738 580097852 /nfs/dbraw/zinc/09/78/52/580097852.db2.gz HTBKYJSFZCQONR-ZIAGYGMSSA-N 2 2 328.551 1.235 20 0 EDADLP Cc1cc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c[nH+]1 ZINC000767948783 580203872 /nfs/dbraw/zinc/20/38/72/580203872.db2.gz UUDVPVOEGQSZGZ-MRXNPFEDSA-N 2 2 332.448 1.885 20 0 EDADLP NC(=[NH+]OC[C@@H]1CCCOC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000769877297 580247622 /nfs/dbraw/zinc/24/76/22/580247622.db2.gz JEWDRNXZLCYIJX-OAHLLOKOSA-N 2 2 347.459 1.916 20 0 EDADLP CN(C(=O)NCc1cccc(F)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771770708 580293361 /nfs/dbraw/zinc/29/33/61/580293361.db2.gz AHKCLUXJGNIKHK-INIZCTEOSA-N 2 2 349.454 1.531 20 0 EDADLP CN(C(=O)NCc1cccc(F)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771770708 580293362 /nfs/dbraw/zinc/29/33/62/580293362.db2.gz AHKCLUXJGNIKHK-INIZCTEOSA-N 2 2 349.454 1.531 20 0 EDADLP CN(C(=O)NCCc1ccncc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771772498 580293449 /nfs/dbraw/zinc/29/34/49/580293449.db2.gz RORLLJPVIRDWDH-SFHVURJKSA-N 2 2 345.491 1.434 20 0 EDADLP CN(C(=O)NCCc1ccncc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771772498 580293450 /nfs/dbraw/zinc/29/34/50/580293450.db2.gz RORLLJPVIRDWDH-SFHVURJKSA-N 2 2 345.491 1.434 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000774241330 580357525 /nfs/dbraw/zinc/35/75/25/580357525.db2.gz URFZGMXHKBUGIW-INIZCTEOSA-N 2 2 341.459 1.415 20 0 EDADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc2[nH+]ccn21 ZINC000777031541 580432678 /nfs/dbraw/zinc/43/26/78/580432678.db2.gz INFSTCXNHVLDOO-GJZGRUSLSA-N 2 2 328.416 1.708 20 0 EDADLP OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000782082386 580565854 /nfs/dbraw/zinc/56/58/54/580565854.db2.gz DVEHARCTTCHCFC-LSDHHAIUSA-N 2 2 343.265 1.529 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)CCOc2ccc(F)cc2)C1 ZINC000783972336 580609614 /nfs/dbraw/zinc/60/96/14/580609614.db2.gz IXQNEIULSDVGII-AWEZNQCLSA-N 2 2 346.406 1.843 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)CCOc2ccc(F)cc2)C1 ZINC000783972336 580609615 /nfs/dbraw/zinc/60/96/15/580609615.db2.gz IXQNEIULSDVGII-AWEZNQCLSA-N 2 2 346.406 1.843 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989713 580610507 /nfs/dbraw/zinc/61/05/07/580610507.db2.gz IANKFWXLNSOSNF-SJORKVTESA-N 3 2 345.491 1.357 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989713 580610508 /nfs/dbraw/zinc/61/05/08/580610508.db2.gz IANKFWXLNSOSNF-SJORKVTESA-N 3 2 345.491 1.357 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000783989744 580610630 /nfs/dbraw/zinc/61/06/30/580610630.db2.gz IRTGVFRJYISBGO-ARFHVFGLSA-N 2 2 332.448 1.442 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000783989744 580610631 /nfs/dbraw/zinc/61/06/31/580610631.db2.gz IRTGVFRJYISBGO-ARFHVFGLSA-N 2 2 332.448 1.442 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000785004765 580633792 /nfs/dbraw/zinc/63/37/92/580633792.db2.gz ATFGFGODRKECBJ-UONOGXRCSA-N 2 2 347.463 1.336 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000785004765 580633793 /nfs/dbraw/zinc/63/37/93/580633793.db2.gz ATFGFGODRKECBJ-UONOGXRCSA-N 2 2 347.463 1.336 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(F)(F)CC1 ZINC000796538503 580955958 /nfs/dbraw/zinc/95/59/58/580955958.db2.gz PNPGSMSVPOPXHA-AWEZNQCLSA-N 2 2 338.402 1.850 20 0 EDADLP CC(C)[N@@H+](CC(=O)N1CCCCCC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000796602664 580957822 /nfs/dbraw/zinc/95/78/22/580957822.db2.gz SYVHFMAMTWWZHR-KRWDZBQOSA-N 2 2 325.497 1.556 20 0 EDADLP CC(C)[N@H+](CC(=O)N1CCCCCC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000796602664 580957823 /nfs/dbraw/zinc/95/78/23/580957823.db2.gz SYVHFMAMTWWZHR-KRWDZBQOSA-N 2 2 325.497 1.556 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000799311132 581025079 /nfs/dbraw/zinc/02/50/79/581025079.db2.gz NMZCVXTYRUCNPN-ZTFGCOKTSA-N 2 2 336.455 1.212 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000799311132 581025080 /nfs/dbraw/zinc/02/50/80/581025080.db2.gz NMZCVXTYRUCNPN-ZTFGCOKTSA-N 2 2 336.455 1.212 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)[C@H]1CCOC1 ZINC000893072253 590648269 /nfs/dbraw/zinc/64/82/69/590648269.db2.gz ZVLMHHUMZSCOCD-GJZGRUSLSA-N 2 2 341.496 1.990 20 0 EDADLP CC(C)(C)c1nc(N2CCC(C[NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000891862343 590660537 /nfs/dbraw/zinc/66/05/37/590660537.db2.gz UPUOYHDOJGEFQH-UHFFFAOYSA-N 2 2 334.468 1.300 20 0 EDADLP C[C@@H]([NH3+])CNC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000892104449 590800551 /nfs/dbraw/zinc/80/05/51/590800551.db2.gz XSOATSJWSBRFLJ-OAHLLOKOSA-N 2 2 327.432 1.735 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000892115815 590807884 /nfs/dbraw/zinc/80/78/84/590807884.db2.gz UJDTWVWKHJRECV-BZUAXINKSA-N 2 2 328.428 1.274 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000892115815 590807889 /nfs/dbraw/zinc/80/78/89/590807889.db2.gz UJDTWVWKHJRECV-BZUAXINKSA-N 2 2 328.428 1.274 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000892175027 590845177 /nfs/dbraw/zinc/84/51/77/590845177.db2.gz IDYBXHQIKPXSCO-KRWDZBQOSA-N 2 2 329.444 1.360 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892341831 590970528 /nfs/dbraw/zinc/97/05/28/590970528.db2.gz KADRLAPJVXYYGC-INIZCTEOSA-N 2 2 339.443 1.765 20 0 EDADLP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000892474605 591040330 /nfs/dbraw/zinc/04/03/30/591040330.db2.gz NVQGAKGWOBFXIH-UHFFFAOYSA-N 2 2 334.489 1.941 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891347198 591053087 /nfs/dbraw/zinc/05/30/87/591053087.db2.gz HVKUAKMQKHGWBH-KRWDZBQOSA-N 2 2 339.443 1.661 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891347199 591053293 /nfs/dbraw/zinc/05/32/93/591053293.db2.gz HVKUAKMQKHGWBH-QGZVFWFLSA-N 2 2 339.443 1.661 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[C@H]1[NH3+] ZINC000892514174 591054834 /nfs/dbraw/zinc/05/48/34/591054834.db2.gz XUEQDWRHAWTNLK-DZGCQCFKSA-N 2 2 349.504 1.514 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc[nH+]1 ZINC000891394140 591066648 /nfs/dbraw/zinc/06/66/48/591066648.db2.gz AMIJPOXODMJMOV-QGZVFWFLSA-N 2 2 341.459 1.982 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000892566003 591074713 /nfs/dbraw/zinc/07/47/13/591074713.db2.gz WHBYTJCOZJGHRE-CALCHBBNSA-N 2 2 346.475 1.650 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C2)c1 ZINC000892610081 591094448 /nfs/dbraw/zinc/09/44/48/591094448.db2.gz ZJJLWLOUHJMCPS-WBVHZDCISA-N 2 2 334.464 1.184 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C2)c1 ZINC000892610081 591094451 /nfs/dbraw/zinc/09/44/51/591094451.db2.gz ZJJLWLOUHJMCPS-WBVHZDCISA-N 2 2 334.464 1.184 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC[C@H](C[NH3+])C3)C2)c1 ZINC000892610482 591094615 /nfs/dbraw/zinc/09/46/15/591094615.db2.gz BXZFMSWEMKYISQ-QZTJIDSGSA-N 2 2 346.475 1.186 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC[C@H](C[NH3+])C3)C2)c1 ZINC000892610482 591094620 /nfs/dbraw/zinc/09/46/20/591094620.db2.gz BXZFMSWEMKYISQ-QZTJIDSGSA-N 2 2 346.475 1.186 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000892613384 591096970 /nfs/dbraw/zinc/09/69/70/591096970.db2.gz CRZWKZGYUMQWIF-SFHVURJKSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000892613384 591096974 /nfs/dbraw/zinc/09/69/74/591096974.db2.gz CRZWKZGYUMQWIF-SFHVURJKSA-N 2 2 346.475 1.583 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[NH+]1CCOCC1 ZINC000891518316 591104206 /nfs/dbraw/zinc/10/42/06/591104206.db2.gz PJNLRMLLBHFAPL-RRFJBIMHSA-N 2 2 326.485 1.173 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)nc[nH+]1 ZINC000891571736 591130325 /nfs/dbraw/zinc/13/03/25/591130325.db2.gz DBDYZLJLXIQJEN-GJZGRUSLSA-N 2 2 337.468 1.428 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)nc[nH+]1 ZINC000891571736 591130327 /nfs/dbraw/zinc/13/03/27/591130327.db2.gz DBDYZLJLXIQJEN-GJZGRUSLSA-N 2 2 337.468 1.428 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)[nH+]cn1 ZINC000891571736 591130330 /nfs/dbraw/zinc/13/03/30/591130330.db2.gz DBDYZLJLXIQJEN-GJZGRUSLSA-N 2 2 337.468 1.428 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)[nH+]cn1 ZINC000891571736 591130331 /nfs/dbraw/zinc/13/03/31/591130331.db2.gz DBDYZLJLXIQJEN-GJZGRUSLSA-N 2 2 337.468 1.428 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000891619048 591152085 /nfs/dbraw/zinc/15/20/85/591152085.db2.gz JEUHXFAAGDRKPP-YOEHRIQHSA-N 2 2 327.432 1.690 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000891619048 591152091 /nfs/dbraw/zinc/15/20/91/591152091.db2.gz JEUHXFAAGDRKPP-YOEHRIQHSA-N 2 2 327.432 1.690 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891704648 591193086 /nfs/dbraw/zinc/19/30/86/591193086.db2.gz HCEGXFIOJKMAEV-OAHLLOKOSA-N 2 2 332.448 1.097 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000891741978 591206442 /nfs/dbraw/zinc/20/64/42/591206442.db2.gz XCSPHMNIVOSGOQ-HOTGVXAUSA-N 2 2 329.448 1.527 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000891741978 591206446 /nfs/dbraw/zinc/20/64/46/591206446.db2.gz XCSPHMNIVOSGOQ-HOTGVXAUSA-N 2 2 329.448 1.527 20 0 EDADLP Cc1nnc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000892866631 591207859 /nfs/dbraw/zinc/20/78/59/591207859.db2.gz TXZGEBULKKSUSL-UHFFFAOYSA-N 2 2 333.461 1.428 20 0 EDADLP COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(F)F ZINC000894196775 591223571 /nfs/dbraw/zinc/22/35/71/591223571.db2.gz BTPVBEVFOBTCBR-GXTWGEPZSA-N 2 2 336.342 1.720 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000895664625 591243656 /nfs/dbraw/zinc/24/36/56/591243656.db2.gz AIDLPMZEBWQHKW-HNNXBMFYSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000895664625 591243658 /nfs/dbraw/zinc/24/36/58/591243658.db2.gz AIDLPMZEBWQHKW-HNNXBMFYSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685465 591253173 /nfs/dbraw/zinc/25/31/73/591253173.db2.gz LZQBQECTDIWUII-MJGOQNOKSA-N 2 2 347.503 1.709 20 0 EDADLP CCn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893031720 591260373 /nfs/dbraw/zinc/26/03/73/591260373.db2.gz VWPYKWVBCAXEJE-LJQANCHMSA-N 2 2 328.460 1.938 20 0 EDADLP CN(Cc1cnn(C)c1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000894459891 591318465 /nfs/dbraw/zinc/31/84/65/591318465.db2.gz RFNQTOQDOLFSEN-SFHVURJKSA-N 2 2 331.508 1.898 20 0 EDADLP CN(Cc1cnn(C)c1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000894459891 591318468 /nfs/dbraw/zinc/31/84/68/591318468.db2.gz RFNQTOQDOLFSEN-SFHVURJKSA-N 2 2 331.508 1.898 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)c12 ZINC000894723805 591399898 /nfs/dbraw/zinc/39/98/98/591399898.db2.gz PNRQBVIFRGJUHX-SFHVURJKSA-N 2 2 345.447 1.548 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)c12 ZINC000894723805 591399903 /nfs/dbraw/zinc/39/99/03/591399903.db2.gz PNRQBVIFRGJUHX-SFHVURJKSA-N 2 2 345.447 1.548 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]CCN2C(=O)c3ccccc3C2=O)n1 ZINC000896311662 591420343 /nfs/dbraw/zinc/42/03/43/591420343.db2.gz VDFMZWCOFMPVPH-UHFFFAOYSA-N 2 2 344.440 1.591 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000898629759 591442115 /nfs/dbraw/zinc/44/21/15/591442115.db2.gz RPRBHBPGNXJKAY-IJEWVQPXSA-N 2 2 335.452 1.203 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000898629759 591442117 /nfs/dbraw/zinc/44/21/17/591442117.db2.gz RPRBHBPGNXJKAY-IJEWVQPXSA-N 2 2 335.452 1.203 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000898632630 591454243 /nfs/dbraw/zinc/45/42/43/591454243.db2.gz CPWMUBBXWBADDE-UHFFFAOYSA-N 2 2 333.411 1.833 20 0 EDADLP Brc1c[nH+]c2n1C[C@@H]([NH2+]Cc1cn3cccnc3n1)CC2 ZINC000898721536 591488531 /nfs/dbraw/zinc/48/85/31/591488531.db2.gz TVADKRWIASTHJW-JTQLQIEISA-N 2 2 347.220 1.793 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000897576734 591563969 /nfs/dbraw/zinc/56/39/69/591563969.db2.gz NQAGQBOMDXHJNB-ROUUACIJSA-N 2 2 343.471 1.660 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000897576734 591563971 /nfs/dbraw/zinc/56/39/71/591563971.db2.gz NQAGQBOMDXHJNB-ROUUACIJSA-N 2 2 343.471 1.660 20 0 EDADLP C[C@@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000898883105 591576946 /nfs/dbraw/zinc/57/69/46/591576946.db2.gz CQBGUGFWAMKEEB-BBRMVZONSA-N 2 2 328.416 1.017 20 0 EDADLP C[C@@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[N@H+]1CCc2ccccc2C1 ZINC000898883105 591576947 /nfs/dbraw/zinc/57/69/47/591576947.db2.gz CQBGUGFWAMKEEB-BBRMVZONSA-N 2 2 328.416 1.017 20 0 EDADLP CC(C)(CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)n1cc[nH+]c1 ZINC000898909204 591594999 /nfs/dbraw/zinc/59/49/99/591594999.db2.gz KHECHUGYMDVMAR-OAHLLOKOSA-N 2 2 336.505 1.952 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000897649722 591604140 /nfs/dbraw/zinc/60/41/40/591604140.db2.gz JZCHLXWHWDWIAT-LCGIIJARSA-N 2 2 339.480 1.693 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000897649722 591604142 /nfs/dbraw/zinc/60/41/42/591604142.db2.gz JZCHLXWHWDWIAT-LCGIIJARSA-N 2 2 339.480 1.693 20 0 EDADLP Cc1cccn2cc(CCNC(=O)C3C[NH+](C4CCOCC4)C3)[nH+]c12 ZINC000896799936 591615376 /nfs/dbraw/zinc/61/53/76/591615376.db2.gz GLYLDOLCFBWMGS-UHFFFAOYSA-N 2 2 342.443 1.412 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000898961277 591618088 /nfs/dbraw/zinc/61/80/88/591618088.db2.gz ZIILRCIBHHHHND-KBPBESRZSA-N 2 2 345.447 1.551 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000898961277 591618092 /nfs/dbraw/zinc/61/80/92/591618092.db2.gz ZIILRCIBHHHHND-KBPBESRZSA-N 2 2 345.447 1.551 20 0 EDADLP CCOC(=O)c1n[nH]c([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000895236720 591671479 /nfs/dbraw/zinc/67/14/79/591671479.db2.gz FESZMBUOUCTLKM-LBPRGKRZSA-N 2 2 344.419 1.696 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC[N@@H+](C2CC2)C1 ZINC000897866400 591699336 /nfs/dbraw/zinc/69/93/36/591699336.db2.gz ZKLIWQHEKIYISU-GUYCJALGSA-N 2 2 331.464 1.733 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC[N@H+](C2CC2)C1 ZINC000897866400 591699338 /nfs/dbraw/zinc/69/93/38/591699338.db2.gz ZKLIWQHEKIYISU-GUYCJALGSA-N 2 2 331.464 1.733 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC[NH+](C2CC2)C1 ZINC000897866400 591699339 /nfs/dbraw/zinc/69/93/39/591699339.db2.gz ZKLIWQHEKIYISU-GUYCJALGSA-N 2 2 331.464 1.733 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC[NH+](C2CC2)C1 ZINC000897866400 591699341 /nfs/dbraw/zinc/69/93/41/591699341.db2.gz ZKLIWQHEKIYISU-GUYCJALGSA-N 2 2 331.464 1.733 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000897878191 591702915 /nfs/dbraw/zinc/70/29/15/591702915.db2.gz YWLXETXROHYBEH-KGLIPLIRSA-N 2 2 327.469 1.153 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000897878191 591702917 /nfs/dbraw/zinc/70/29/17/591702917.db2.gz YWLXETXROHYBEH-KGLIPLIRSA-N 2 2 327.469 1.153 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCC3CC4(C3)OCCO4)c12 ZINC000899261423 591752908 /nfs/dbraw/zinc/75/29/08/591752908.db2.gz GMVYKBRXPVPHDY-UHFFFAOYSA-N 2 2 338.371 1.776 20 0 EDADLP C[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000898031949 591763881 /nfs/dbraw/zinc/76/38/81/591763881.db2.gz RLOFWXBOHXQRLB-AWEZNQCLSA-N 2 2 331.526 1.368 20 0 EDADLP C[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000898031949 591763883 /nfs/dbraw/zinc/76/38/83/591763883.db2.gz RLOFWXBOHXQRLB-AWEZNQCLSA-N 2 2 331.526 1.368 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(C3CC3)nn2C)CC1 ZINC000897224248 591777948 /nfs/dbraw/zinc/77/79/48/591777948.db2.gz LHXMPAUVJPGKNA-UHFFFAOYSA-N 2 2 334.464 1.805 20 0 EDADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000895528280 591789512 /nfs/dbraw/zinc/78/95/12/591789512.db2.gz VDZAWKUWXKJPME-LJQANCHMSA-N 2 2 343.471 1.094 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(CCO)cc2)CC1 ZINC000898171251 591810589 /nfs/dbraw/zinc/81/05/89/591810589.db2.gz UEMYNLPQCQAXAP-UHFFFAOYSA-N 2 2 334.460 1.729 20 0 EDADLP C([C@@H]1CC[C@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)O1)[NH+]1CCOCC1 ZINC000900016516 591868265 /nfs/dbraw/zinc/86/82/65/591868265.db2.gz PQMZTTXFIYYEID-GWONACJQSA-N 2 2 348.447 1.620 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)C12CC[NH+](CC1)C2 ZINC000900107461 591909740 /nfs/dbraw/zinc/90/97/40/591909740.db2.gz OKVDHYVBDVEVOW-KRWDZBQOSA-N 2 2 329.444 1.272 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@]2(CCCOC2)C1=O ZINC000902237215 591952548 /nfs/dbraw/zinc/95/25/48/591952548.db2.gz GTBUHFWRGFJOPE-SFHVURJKSA-N 2 2 334.464 1.754 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@]2(CCCOC2)C1=O ZINC000902237215 591952550 /nfs/dbraw/zinc/95/25/50/591952550.db2.gz GTBUHFWRGFJOPE-SFHVURJKSA-N 2 2 334.464 1.754 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900289469 591973878 /nfs/dbraw/zinc/97/38/78/591973878.db2.gz RHLKJOLSZGPHRK-KRWDZBQOSA-N 2 2 345.443 1.178 20 0 EDADLP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000902501019 592003031 /nfs/dbraw/zinc/00/30/31/592003031.db2.gz PIWKINFLADUOOH-DGELNIIYSA-N 3 2 325.456 1.828 20 0 EDADLP CN(c1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1)S(C)(=O)=O ZINC000902515198 592008958 /nfs/dbraw/zinc/00/89/58/592008958.db2.gz UCAQWKXFLPTDCI-MRXNPFEDSA-N 2 2 337.489 1.847 20 0 EDADLP Cn1ncc2c1nc(N1CCC(C[NH3+])(c3ccccc3)CC1)[nH+]c2N ZINC000900410345 592010857 /nfs/dbraw/zinc/01/08/57/592010857.db2.gz CQQNQDSZGFCNNC-UHFFFAOYSA-N 2 2 337.431 1.442 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000900478448 592029872 /nfs/dbraw/zinc/02/98/72/592029872.db2.gz LXLFWJODLCPQJS-VEVIJQCQSA-N 2 2 334.464 1.067 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000900478448 592029875 /nfs/dbraw/zinc/02/98/75/592029875.db2.gz LXLFWJODLCPQJS-VEVIJQCQSA-N 2 2 334.464 1.067 20 0 EDADLP C[NH+]1CCN(C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)c2ccccc2)CC1 ZINC000900541256 592051847 /nfs/dbraw/zinc/05/18/47/592051847.db2.gz CBVBFTYIGOOYQA-QGZVFWFLSA-N 2 2 327.432 1.057 20 0 EDADLP Cc1nnc(CCONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000902725937 592053274 /nfs/dbraw/zinc/05/32/74/592053274.db2.gz FSROCPWBIPTXHJ-OAHLLOKOSA-N 2 2 345.403 1.320 20 0 EDADLP Cc1nnc(CCONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000902725937 592053277 /nfs/dbraw/zinc/05/32/77/592053277.db2.gz FSROCPWBIPTXHJ-OAHLLOKOSA-N 2 2 345.403 1.320 20 0 EDADLP CCO[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000902738417 592054461 /nfs/dbraw/zinc/05/44/61/592054461.db2.gz DNUUYPKTBQAMGM-ROUUACIJSA-N 2 2 347.507 1.926 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(CC3CCC4(CC3)OCCO4)nn2)CC1 ZINC000900571139 592055269 /nfs/dbraw/zinc/05/52/69/592055269.db2.gz XPMZRGBWBZJVJH-UHFFFAOYSA-N 2 2 349.479 1.395 20 0 EDADLP Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674186 592090768 /nfs/dbraw/zinc/09/07/68/592090768.db2.gz JWHIKAQRGZPKFP-LLVKDONJSA-N 2 2 325.844 1.270 20 0 EDADLP Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674186 592090771 /nfs/dbraw/zinc/09/07/71/592090771.db2.gz JWHIKAQRGZPKFP-LLVKDONJSA-N 2 2 325.844 1.270 20 0 EDADLP CC(=O)c1cncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000900693652 592097077 /nfs/dbraw/zinc/09/70/77/592097077.db2.gz ZKEPLXMGVHDAOP-UHFFFAOYSA-N 2 2 332.448 1.382 20 0 EDADLP CC(=O)c1cncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000900693652 592097080 /nfs/dbraw/zinc/09/70/80/592097080.db2.gz ZKEPLXMGVHDAOP-UHFFFAOYSA-N 2 2 332.448 1.382 20 0 EDADLP C([NH2+][C@@H]1CCO[C@]12CCOC2)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000903109713 592121366 /nfs/dbraw/zinc/12/13/66/592121366.db2.gz IOWDBJMLPGPFLQ-MJGOQNOKSA-N 2 2 338.492 1.807 20 0 EDADLP C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H]1CN(C)CC[NH+]1C ZINC000900811675 592133115 /nfs/dbraw/zinc/13/31/15/592133115.db2.gz MYEOLTBHGSVPLA-LPHOPBHVSA-N 2 2 344.503 1.185 20 0 EDADLP C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H]1CN(C)CC[NH+]1C ZINC000900811675 592133117 /nfs/dbraw/zinc/13/31/17/592133117.db2.gz MYEOLTBHGSVPLA-LPHOPBHVSA-N 2 2 344.503 1.185 20 0 EDADLP C[C@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900811675 592133119 /nfs/dbraw/zinc/13/31/19/592133119.db2.gz MYEOLTBHGSVPLA-LPHOPBHVSA-N 2 2 344.503 1.185 20 0 EDADLP C[C@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900811675 592133121 /nfs/dbraw/zinc/13/31/21/592133121.db2.gz MYEOLTBHGSVPLA-LPHOPBHVSA-N 2 2 344.503 1.185 20 0 EDADLP CC1(C)OC[C@@H]([C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)CCO2)O1 ZINC000903214766 592140781 /nfs/dbraw/zinc/14/07/81/592140781.db2.gz XKAXPZAZVVSXCY-MPBYHJMHSA-N 2 2 336.476 1.997 20 0 EDADLP CC1(C)OC[C@@H]([C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)CCO2)O1 ZINC000903214766 592140782 /nfs/dbraw/zinc/14/07/82/592140782.db2.gz XKAXPZAZVVSXCY-MPBYHJMHSA-N 2 2 336.476 1.997 20 0 EDADLP CC1(C)OC[C@@H]([C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCO2)O1 ZINC000903214766 592140784 /nfs/dbraw/zinc/14/07/84/592140784.db2.gz XKAXPZAZVVSXCY-MPBYHJMHSA-N 2 2 336.476 1.997 20 0 EDADLP CC1(C)OC[C@@H]([C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCO2)O1 ZINC000903214766 592140787 /nfs/dbraw/zinc/14/07/87/592140787.db2.gz XKAXPZAZVVSXCY-MPBYHJMHSA-N 2 2 336.476 1.997 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000903430927 592168224 /nfs/dbraw/zinc/16/82/24/592168224.db2.gz JADMEVDKIKHOQT-AEFFLSMTSA-N 2 2 330.476 1.712 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1OC ZINC000903430000 592168491 /nfs/dbraw/zinc/16/84/91/592168491.db2.gz MUGWJEYGYFQUAG-ZBFHGGJFSA-N 2 2 347.459 1.317 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903457429 592173986 /nfs/dbraw/zinc/17/39/86/592173986.db2.gz SFPWQHTWNLTCAI-OSMZGAPFSA-N 2 2 340.265 1.763 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903457429 592173987 /nfs/dbraw/zinc/17/39/87/592173987.db2.gz SFPWQHTWNLTCAI-OSMZGAPFSA-N 2 2 340.265 1.763 20 0 EDADLP CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000903479563 592176654 /nfs/dbraw/zinc/17/66/54/592176654.db2.gz LHDKUVHGURDLSD-KWQFWETISA-N 2 2 327.226 1.075 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903483058 592177052 /nfs/dbraw/zinc/17/70/52/592177052.db2.gz CFUSKFGJMYEVDX-INIZCTEOSA-N 2 2 338.473 1.733 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000900933255 592177578 /nfs/dbraw/zinc/17/75/78/592177578.db2.gz MQSAIHZVITZOHE-AWEZNQCLSA-N 2 2 334.464 1.597 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510811 592190708 /nfs/dbraw/zinc/19/07/08/592190708.db2.gz KTUUGEKGIMTPFT-YTQUADARSA-N 2 2 348.535 1.534 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510811 592190709 /nfs/dbraw/zinc/19/07/09/592190709.db2.gz KTUUGEKGIMTPFT-YTQUADARSA-N 2 2 348.535 1.534 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000900995388 592200065 /nfs/dbraw/zinc/20/00/65/592200065.db2.gz LONSKCKYQJKXPR-RBSFLKMASA-N 2 2 337.464 1.003 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000900995388 592200068 /nfs/dbraw/zinc/20/00/68/592200068.db2.gz LONSKCKYQJKXPR-RBSFLKMASA-N 2 2 337.464 1.003 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000900995388 592200070 /nfs/dbraw/zinc/20/00/70/592200070.db2.gz LONSKCKYQJKXPR-RBSFLKMASA-N 2 2 337.464 1.003 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000901023173 592202133 /nfs/dbraw/zinc/20/21/33/592202133.db2.gz RANUKZWSMCUHOD-BZUAXINKSA-N 2 2 339.480 1.106 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000901023173 592202134 /nfs/dbraw/zinc/20/21/34/592202134.db2.gz RANUKZWSMCUHOD-BZUAXINKSA-N 2 2 339.480 1.106 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000901023173 592202136 /nfs/dbraw/zinc/20/21/36/592202136.db2.gz RANUKZWSMCUHOD-BZUAXINKSA-N 2 2 339.480 1.106 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000901023173 592202138 /nfs/dbraw/zinc/20/21/38/592202138.db2.gz RANUKZWSMCUHOD-BZUAXINKSA-N 2 2 339.480 1.106 20 0 EDADLP COCCN1C(=O)N[C@H]2C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)CC[C@H]21 ZINC000904372505 592240252 /nfs/dbraw/zinc/24/02/52/592240252.db2.gz CYZUSWITVQIXPA-SOUVJXGZSA-N 2 2 326.485 1.255 20 0 EDADLP COCCN1C(=O)N[C@H]2C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)CC[C@H]21 ZINC000904372505 592240256 /nfs/dbraw/zinc/24/02/56/592240256.db2.gz CYZUSWITVQIXPA-SOUVJXGZSA-N 2 2 326.485 1.255 20 0 EDADLP COc1cc2c(cc1CN1C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C1)O[C@H](C)C2 ZINC000904494074 592266948 /nfs/dbraw/zinc/26/69/48/592266948.db2.gz FIGWPVUAJHHJJY-DAXOMENPSA-N 2 2 342.443 1.679 20 0 EDADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000908035470 592282531 /nfs/dbraw/zinc/28/25/31/592282531.db2.gz JZFUMTLSWMIYBM-YOEHRIQHSA-N 2 2 349.862 1.534 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901200688 592283458 /nfs/dbraw/zinc/28/34/58/592283458.db2.gz IPYADGINEPRRSH-MSOLQXFVSA-N 3 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901200688 592283461 /nfs/dbraw/zinc/28/34/61/592283461.db2.gz IPYADGINEPRRSH-MSOLQXFVSA-N 3 2 347.507 1.748 20 0 EDADLP O=C1NCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903726691 592285028 /nfs/dbraw/zinc/28/50/28/592285028.db2.gz NELPUXGDHXWRLR-DLBZAZTESA-N 2 2 329.444 1.318 20 0 EDADLP O=C1NCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903726691 592285030 /nfs/dbraw/zinc/28/50/30/592285030.db2.gz NELPUXGDHXWRLR-DLBZAZTESA-N 2 2 329.444 1.318 20 0 EDADLP O=C(CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000903733131 592288014 /nfs/dbraw/zinc/28/80/14/592288014.db2.gz KBXDGAJYAIVXGA-MRXNPFEDSA-N 2 2 348.466 1.772 20 0 EDADLP Cc1cccc([C@@H]2C(=O)NCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903766112 592308649 /nfs/dbraw/zinc/30/86/49/592308649.db2.gz OYIDFSREXXYOMJ-SCTDSRPQSA-N 2 2 329.444 1.237 20 0 EDADLP Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903766112 592308655 /nfs/dbraw/zinc/30/86/55/592308655.db2.gz OYIDFSREXXYOMJ-SCTDSRPQSA-N 2 2 329.444 1.237 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903756151 592313343 /nfs/dbraw/zinc/31/33/43/592313343.db2.gz PBZXFNKBAACBRL-RDJZCZTQSA-N 2 2 343.537 1.703 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903756151 592313348 /nfs/dbraw/zinc/31/33/48/592313348.db2.gz PBZXFNKBAACBRL-RDJZCZTQSA-N 2 2 343.537 1.703 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCc3c([nH+]c(C)n3CCO)C2)c[nH+]1 ZINC000908114746 592327967 /nfs/dbraw/zinc/32/79/67/592327967.db2.gz JEDKLEUWKQOLJF-CQSZACIVSA-N 2 2 345.447 1.098 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1cccc(C(=O)NC3CC3)c1)C2 ZINC000903847569 592344271 /nfs/dbraw/zinc/34/42/71/592344271.db2.gz KTCYJQUDZLZSHF-JDFRZJQESA-N 2 2 342.443 1.329 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1cccc(C(=O)NC3CC3)c1)C2 ZINC000903847569 592344275 /nfs/dbraw/zinc/34/42/75/592344275.db2.gz KTCYJQUDZLZSHF-JDFRZJQESA-N 2 2 342.443 1.329 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)S1 ZINC000906806110 592353964 /nfs/dbraw/zinc/35/39/64/592353964.db2.gz ICHDIEMXASZJAO-CQSZACIVSA-N 2 2 338.521 1.886 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903876673 592356976 /nfs/dbraw/zinc/35/69/76/592356976.db2.gz HKUIFLIZLQGWMK-CQSZACIVSA-N 2 2 331.382 1.934 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CC(=O)N(C)C2CCCCC2)cnn1C ZINC000903879676 592360610 /nfs/dbraw/zinc/36/06/10/592360610.db2.gz GYBDOGKFEDQMCG-MRXNPFEDSA-N 2 2 349.523 1.569 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CC(=O)N(C)C2CCCCC2)cnn1C ZINC000903879676 592360615 /nfs/dbraw/zinc/36/06/15/592360615.db2.gz GYBDOGKFEDQMCG-MRXNPFEDSA-N 2 2 349.523 1.569 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905034377 592372712 /nfs/dbraw/zinc/37/27/12/592372712.db2.gz JMAHKECKRKKBHL-ROUUACIJSA-N 2 2 334.460 1.143 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905034377 592372717 /nfs/dbraw/zinc/37/27/17/592372717.db2.gz JMAHKECKRKKBHL-ROUUACIJSA-N 2 2 334.460 1.143 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)([NH+]2CCCCC2)CC1 ZINC000906823645 592373894 /nfs/dbraw/zinc/37/38/94/592373894.db2.gz OQLKJWZHPMASDX-BHYGNILZSA-N 2 2 333.476 1.278 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH2+]C[C@H]([NH3+])CC(F)F)C2=O)cc1 ZINC000903924876 592379137 /nfs/dbraw/zinc/37/91/37/592379137.db2.gz JBEIQSLGEBNIOU-TZMCWYRMSA-N 2 2 327.375 1.368 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cnn1C ZINC000903933140 592384621 /nfs/dbraw/zinc/38/46/21/592384621.db2.gz YWUAPSSJJYLLRP-MJGOQNOKSA-N 3 2 349.523 1.033 20 0 EDADLP [NH3+]CC[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903953158 592393857 /nfs/dbraw/zinc/39/38/57/592393857.db2.gz BDCCAFVYWPLHGB-OAHLLOKOSA-N 3 2 338.883 1.298 20 0 EDADLP [NH3+]CC[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903953158 592393860 /nfs/dbraw/zinc/39/38/60/592393860.db2.gz BDCCAFVYWPLHGB-OAHLLOKOSA-N 3 2 338.883 1.298 20 0 EDADLP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903953176 592394455 /nfs/dbraw/zinc/39/44/55/592394455.db2.gz BRMZGCSHJURADK-QGZVFWFLSA-N 3 2 333.524 1.796 20 0 EDADLP C[C@@](O)(C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C(F)F ZINC000905062370 592398153 /nfs/dbraw/zinc/39/81/53/592398153.db2.gz XOOHVNZVBYZMNK-QGZVFWFLSA-N 2 2 344.402 1.503 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)n1C ZINC000905110894 592411915 /nfs/dbraw/zinc/41/19/15/592411915.db2.gz POVSVKLRWAXNSR-HNNXBMFYSA-N 2 2 343.431 1.497 20 0 EDADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H](O)CCOCc2ccccc2)CCSC1 ZINC000905147215 592437609 /nfs/dbraw/zinc/43/76/09/592437609.db2.gz JVHIQQKJXPYBRV-ROUUACIJSA-N 2 2 338.517 1.981 20 0 EDADLP C[C@@]1(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000905220587 592472406 /nfs/dbraw/zinc/47/24/06/592472406.db2.gz ZCOJBIZXHWHTJX-MOPGFXCFSA-N 2 2 348.487 1.533 20 0 EDADLP C[C@@]1(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000905220587 592472411 /nfs/dbraw/zinc/47/24/11/592472411.db2.gz ZCOJBIZXHWHTJX-MOPGFXCFSA-N 2 2 348.487 1.533 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCCO1 ZINC000907132429 592525070 /nfs/dbraw/zinc/52/50/70/592525070.db2.gz NHIHRWYPOAGGMY-HVVXOQGOSA-N 2 2 335.492 1.571 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCCO1 ZINC000907132429 592525072 /nfs/dbraw/zinc/52/50/72/592525072.db2.gz NHIHRWYPOAGGMY-HVVXOQGOSA-N 2 2 335.492 1.571 20 0 EDADLP OC1(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000905446502 592528248 /nfs/dbraw/zinc/52/82/48/592528248.db2.gz HYJSMTSOUUXZDQ-QGZVFWFLSA-N 2 2 325.497 1.068 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000905545163 592557605 /nfs/dbraw/zinc/55/76/05/592557605.db2.gz WWNDFCHSAWNTSB-VNQPRFMTSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000905545163 592557606 /nfs/dbraw/zinc/55/76/06/592557606.db2.gz WWNDFCHSAWNTSB-VNQPRFMTSA-N 2 2 341.496 1.677 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905619845 592587127 /nfs/dbraw/zinc/58/71/27/592587127.db2.gz AUSNSJPREDYRNQ-RBUKOAKNSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905619845 592587129 /nfs/dbraw/zinc/58/71/29/592587129.db2.gz AUSNSJPREDYRNQ-RBUKOAKNSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905620216 592587746 /nfs/dbraw/zinc/58/77/46/592587746.db2.gz CZXNBTWGHWGOLQ-RBUKOAKNSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905620216 592587748 /nfs/dbraw/zinc/58/77/48/592587748.db2.gz CZXNBTWGHWGOLQ-RBUKOAKNSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H](O)c3ccnn3C)c2cc1C ZINC000905624612 592589196 /nfs/dbraw/zinc/58/91/96/592589196.db2.gz HYOACFHDEXXRCK-KSSFIOAISA-N 2 2 343.431 1.071 20 0 EDADLP O[C@]1(C[NH2+]Cc2ccc3nonc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000905667870 592601935 /nfs/dbraw/zinc/60/19/35/592601935.db2.gz FJGBYGZHCYZBRR-IBGZPJMESA-N 2 2 338.411 1.949 20 0 EDADLP O[C@]1(C[NH2+]Cc2ccc3nonc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905667870 592601939 /nfs/dbraw/zinc/60/19/39/592601939.db2.gz FJGBYGZHCYZBRR-IBGZPJMESA-N 2 2 338.411 1.949 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000905708723 592618958 /nfs/dbraw/zinc/61/89/58/592618958.db2.gz SHPFRHAOIZSDMI-MISYRCLQSA-N 2 2 326.440 1.727 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000905708723 592618959 /nfs/dbraw/zinc/61/89/59/592618959.db2.gz SHPFRHAOIZSDMI-MISYRCLQSA-N 2 2 326.440 1.727 20 0 EDADLP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911685287 592981449 /nfs/dbraw/zinc/98/14/49/592981449.db2.gz NMUWBGBFVHEQNJ-AEFFLSMTSA-N 2 2 347.459 1.614 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)[C@H](C[NH3+])C1 ZINC000911877693 593029430 /nfs/dbraw/zinc/02/94/30/593029430.db2.gz CDWMSHBPEKUMMW-DOMZBBRYSA-N 2 2 337.370 1.197 20 0 EDADLP [NH3+][C@H](Cc1ccn[nH]1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000912014374 593051894 /nfs/dbraw/zinc/05/18/94/593051894.db2.gz JNIHUYISTKKWCQ-MRXNPFEDSA-N 2 2 333.480 1.585 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000838095446 593123409 /nfs/dbraw/zinc/12/34/09/593123409.db2.gz UACRRMYVNMMPJT-MRXNPFEDSA-N 2 2 342.447 1.891 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000838095446 593123411 /nfs/dbraw/zinc/12/34/11/593123411.db2.gz UACRRMYVNMMPJT-MRXNPFEDSA-N 2 2 342.447 1.891 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840079766 593128978 /nfs/dbraw/zinc/12/89/78/593128978.db2.gz YTTCVKHETWPPOE-SFHVURJKSA-N 2 2 329.448 1.304 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840079766 593128979 /nfs/dbraw/zinc/12/89/79/593128979.db2.gz YTTCVKHETWPPOE-SFHVURJKSA-N 2 2 329.448 1.304 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840079766 593128980 /nfs/dbraw/zinc/12/89/80/593128980.db2.gz YTTCVKHETWPPOE-SFHVURJKSA-N 2 2 329.448 1.304 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840079766 593128981 /nfs/dbraw/zinc/12/89/81/593128981.db2.gz YTTCVKHETWPPOE-SFHVURJKSA-N 2 2 329.448 1.304 20 0 EDADLP COC(=O)[C@H]1CC(=O)N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000782941657 593130534 /nfs/dbraw/zinc/13/05/34/593130534.db2.gz AVZBWUVBNKCJCU-INIZCTEOSA-N 2 2 348.447 1.354 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)C[C@H]1[NH+](C)C ZINC000867020903 593195977 /nfs/dbraw/zinc/19/59/77/593195977.db2.gz ODEJALGHLXLRLB-YNEHKIRRSA-N 2 2 335.464 1.468 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)C[C@H]1[NH+](C)C ZINC000867020903 593195978 /nfs/dbraw/zinc/19/59/78/593195978.db2.gz ODEJALGHLXLRLB-YNEHKIRRSA-N 2 2 335.464 1.468 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000802131337 593220988 /nfs/dbraw/zinc/22/09/88/593220988.db2.gz BCCXMJMEVMTXFS-HNNXBMFYSA-N 2 2 331.416 1.997 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000802131337 593220989 /nfs/dbraw/zinc/22/09/89/593220989.db2.gz BCCXMJMEVMTXFS-HNNXBMFYSA-N 2 2 331.416 1.997 20 0 EDADLP O=C1[C@@H](C2CC2)[C@H](C2CC2)N1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000839954864 593224293 /nfs/dbraw/zinc/22/42/93/593224293.db2.gz XBERBEIGXBPIGG-ROUUACIJSA-N 2 2 326.444 1.808 20 0 EDADLP COCCC[N@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839974874 593270467 /nfs/dbraw/zinc/27/04/67/593270467.db2.gz VXQYVHKOBVLWLZ-CALCHBBNSA-N 2 2 345.443 1.029 20 0 EDADLP COCCC[N@@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839974874 593270468 /nfs/dbraw/zinc/27/04/68/593270468.db2.gz VXQYVHKOBVLWLZ-CALCHBBNSA-N 2 2 345.443 1.029 20 0 EDADLP COCCC[NH+](C)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839974874 593270469 /nfs/dbraw/zinc/27/04/69/593270469.db2.gz VXQYVHKOBVLWLZ-CALCHBBNSA-N 2 2 345.443 1.029 20 0 EDADLP COCCC[NH+](C)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839974874 593270470 /nfs/dbraw/zinc/27/04/70/593270470.db2.gz VXQYVHKOBVLWLZ-CALCHBBNSA-N 2 2 345.443 1.029 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000802734009 593273899 /nfs/dbraw/zinc/27/38/99/593273899.db2.gz OAYYZGSUHJHBKC-IDHHARJASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000802734009 593273901 /nfs/dbraw/zinc/27/39/01/593273901.db2.gz OAYYZGSUHJHBKC-IDHHARJASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000802734009 593273902 /nfs/dbraw/zinc/27/39/02/593273902.db2.gz OAYYZGSUHJHBKC-IDHHARJASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000802734009 593273904 /nfs/dbraw/zinc/27/39/04/593273904.db2.gz OAYYZGSUHJHBKC-IDHHARJASA-N 2 2 348.491 1.861 20 0 EDADLP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000808790288 593288443 /nfs/dbraw/zinc/28/84/43/593288443.db2.gz CPOXUDBOFZZLDY-ZNMIVQPWSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000808790288 593288444 /nfs/dbraw/zinc/28/84/44/593288444.db2.gz CPOXUDBOFZZLDY-ZNMIVQPWSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CCC(n3cc[nH+]c3)CC2)C(=O)[C@]12CCCO2 ZINC000840002240 593335789 /nfs/dbraw/zinc/33/57/89/593335789.db2.gz FYXXQWIKYGFFQB-WMZOPIPTSA-N 2 2 332.448 1.894 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000809742850 593357270 /nfs/dbraw/zinc/35/72/70/593357270.db2.gz GNVMOAXNLRFXNM-UHFFFAOYSA-N 2 2 327.904 1.705 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000809742850 593357272 /nfs/dbraw/zinc/35/72/72/593357272.db2.gz GNVMOAXNLRFXNM-UHFFFAOYSA-N 2 2 327.904 1.705 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NCc2ccccn2)CC1 ZINC000809995294 593374154 /nfs/dbraw/zinc/37/41/54/593374154.db2.gz NUTFFHBUBVJJGB-UHFFFAOYSA-N 2 2 340.427 1.945 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000758236729 593397815 /nfs/dbraw/zinc/39/78/15/593397815.db2.gz FVFVFPSIUBNWBA-DHSIGJKJSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000758236729 593397817 /nfs/dbraw/zinc/39/78/17/593397817.db2.gz FVFVFPSIUBNWBA-DHSIGJKJSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000758236729 593397819 /nfs/dbraw/zinc/39/78/19/593397819.db2.gz FVFVFPSIUBNWBA-DHSIGJKJSA-N 2 2 334.464 1.471 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000758236729 593397821 /nfs/dbraw/zinc/39/78/21/593397821.db2.gz FVFVFPSIUBNWBA-DHSIGJKJSA-N 2 2 334.464 1.471 20 0 EDADLP O=C(C[NH2+]C1(CCO)CCCCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000761893088 593422670 /nfs/dbraw/zinc/42/26/70/593422670.db2.gz BRXVFEXCDKUABZ-UHFFFAOYSA-N 2 2 349.475 1.599 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)c1[nH+]ccn1C ZINC000806349105 593439925 /nfs/dbraw/zinc/43/99/25/593439925.db2.gz CEOIWGZXTQFIRS-XJKSGUPXSA-N 2 2 345.447 1.767 20 0 EDADLP Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c(N(C)C)[nH+]1 ZINC000806364338 593440567 /nfs/dbraw/zinc/44/05/67/593440567.db2.gz UUKBRODWQPZNHF-GJZGRUSLSA-N 2 2 347.463 1.783 20 0 EDADLP CC1(C)C(=O)N(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]1[C@@H]1CCCO1 ZINC000811747545 593478205 /nfs/dbraw/zinc/47/82/05/593478205.db2.gz FSPIEOYVVIENBL-IXDOHACOSA-N 2 2 335.492 1.778 20 0 EDADLP CC1(C)C(=O)N(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]1[C@@H]1CCCO1 ZINC000811747545 593478206 /nfs/dbraw/zinc/47/82/06/593478206.db2.gz FSPIEOYVVIENBL-IXDOHACOSA-N 2 2 335.492 1.778 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811760999 593479840 /nfs/dbraw/zinc/47/98/40/593479840.db2.gz YSTIRMZZVFYJDW-QBPKDAKJSA-N 2 2 335.492 1.774 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811760999 593479841 /nfs/dbraw/zinc/47/98/41/593479841.db2.gz YSTIRMZZVFYJDW-QBPKDAKJSA-N 2 2 335.492 1.774 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000813329262 593527016 /nfs/dbraw/zinc/52/70/16/593527016.db2.gz ZXSAEPUYZYGKGV-GDBMZVCRSA-N 2 2 327.432 1.392 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000813329262 593527017 /nfs/dbraw/zinc/52/70/17/593527017.db2.gz ZXSAEPUYZYGKGV-GDBMZVCRSA-N 2 2 327.432 1.392 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)C1 ZINC000816765226 593549872 /nfs/dbraw/zinc/54/98/72/593549872.db2.gz XAAMVFAOFVVYCM-MRXNPFEDSA-N 2 2 344.415 1.693 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)C1 ZINC000816765226 593549873 /nfs/dbraw/zinc/54/98/73/593549873.db2.gz XAAMVFAOFVVYCM-MRXNPFEDSA-N 2 2 344.415 1.693 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817982999 593653399 /nfs/dbraw/zinc/65/33/99/593653399.db2.gz XLJDJTCXRBPAGH-WDSOQIARSA-N 2 2 333.476 1.244 20 0 EDADLP C[C@H](NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000817982999 593653400 /nfs/dbraw/zinc/65/34/00/593653400.db2.gz XLJDJTCXRBPAGH-WDSOQIARSA-N 2 2 333.476 1.244 20 0 EDADLP C[C@H](NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000817982999 593653401 /nfs/dbraw/zinc/65/34/01/593653401.db2.gz XLJDJTCXRBPAGH-WDSOQIARSA-N 2 2 333.476 1.244 20 0 EDADLP Cc1nc(C[NH+]2CCC(C[NH2+]CCS(C)(=O)=O)CC2)oc1C ZINC000819052641 593735877 /nfs/dbraw/zinc/73/58/77/593735877.db2.gz IPIRGFOLLQETHX-UHFFFAOYSA-N 2 2 329.466 1.138 20 0 EDADLP Cc1cc(C)cc([C@@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000819077849 593737541 /nfs/dbraw/zinc/73/75/41/593737541.db2.gz PKNDCFCMFQGGGR-PMACEKPBSA-N 2 2 347.503 1.333 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000819134427 593740736 /nfs/dbraw/zinc/74/07/36/593740736.db2.gz HBKITCYHPLGPHK-UONOGXRCSA-N 2 2 348.509 1.205 20 0 EDADLP CCn1nc(C)c(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000823866268 593875510 /nfs/dbraw/zinc/87/55/10/593875510.db2.gz FVFGXHKYCZTIPL-HNNXBMFYSA-N 2 2 342.447 1.724 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@H](C)C1 ZINC000821377806 594032183 /nfs/dbraw/zinc/03/21/83/594032183.db2.gz DRJLEKQIHPDCEY-HIFRSBDPSA-N 2 2 348.451 1.686 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@H](C)C1 ZINC000821377807 594032553 /nfs/dbraw/zinc/03/25/53/594032553.db2.gz DRJLEKQIHPDCEY-UKRRQHHQSA-N 2 2 348.451 1.686 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824572469 594040682 /nfs/dbraw/zinc/04/06/82/594040682.db2.gz VSGFADKJOKTDLW-YPMHNXCESA-N 2 2 334.399 1.113 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824586307 594042906 /nfs/dbraw/zinc/04/29/06/594042906.db2.gz XVCBRCNGFZHIMK-RCBQFDQVSA-N 2 2 328.420 1.381 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824586307 594042908 /nfs/dbraw/zinc/04/29/08/594042908.db2.gz XVCBRCNGFZHIMK-RCBQFDQVSA-N 2 2 328.420 1.381 20 0 EDADLP Cn1c[nH+]c(/C=C/C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000825046335 594121555 /nfs/dbraw/zinc/12/15/55/594121555.db2.gz IWDIGYMLJFRTSL-NSCUHMNNSA-N 2 2 339.443 1.857 20 0 EDADLP C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H]1CCC[NH+](C)C1 ZINC000826029423 594310261 /nfs/dbraw/zinc/31/02/61/594310261.db2.gz RZPSKUMZUPVDKO-ZDUSSCGKSA-N 2 2 340.435 1.288 20 0 EDADLP C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H]1CCC[NH+](C)C1 ZINC000826029423 594310264 /nfs/dbraw/zinc/31/02/64/594310264.db2.gz RZPSKUMZUPVDKO-ZDUSSCGKSA-N 2 2 340.435 1.288 20 0 EDADLP C[NH+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H]1CCC[N@H+](C)C1 ZINC000826029423 594310267 /nfs/dbraw/zinc/31/02/67/594310267.db2.gz RZPSKUMZUPVDKO-ZDUSSCGKSA-N 2 2 340.435 1.288 20 0 EDADLP C[NH+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@H]1CCC[N@@H+](C)C1 ZINC000826029423 594310270 /nfs/dbraw/zinc/31/02/70/594310270.db2.gz RZPSKUMZUPVDKO-ZDUSSCGKSA-N 2 2 340.435 1.288 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000826167866 594359053 /nfs/dbraw/zinc/35/90/53/594359053.db2.gz UEADBCASSKKDME-UHFFFAOYSA-N 2 2 327.392 1.594 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000826167866 594359055 /nfs/dbraw/zinc/35/90/55/594359055.db2.gz UEADBCASSKKDME-UHFFFAOYSA-N 2 2 327.392 1.594 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1-c1nn[nH]n1 ZINC000826193255 594371956 /nfs/dbraw/zinc/37/19/56/594371956.db2.gz XBPBGQFJMAAOJR-AWEZNQCLSA-N 2 2 330.436 1.649 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1-c1nn[nH]n1 ZINC000826193255 594371959 /nfs/dbraw/zinc/37/19/59/594371959.db2.gz XBPBGQFJMAAOJR-AWEZNQCLSA-N 2 2 330.436 1.649 20 0 EDADLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1-c1nn[nH]n1 ZINC000826193255 594371960 /nfs/dbraw/zinc/37/19/60/594371960.db2.gz XBPBGQFJMAAOJR-AWEZNQCLSA-N 2 2 330.436 1.649 20 0 EDADLP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1-c1nn[nH]n1 ZINC000826193255 594371963 /nfs/dbraw/zinc/37/19/63/594371963.db2.gz XBPBGQFJMAAOJR-AWEZNQCLSA-N 2 2 330.436 1.649 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1)[NH+](C)C ZINC000826563441 594526888 /nfs/dbraw/zinc/52/68/88/594526888.db2.gz GBXKQQYBYMJJRS-QZTJIDSGSA-N 2 2 333.476 1.652 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)[NH+](C)C ZINC000826563441 594526889 /nfs/dbraw/zinc/52/68/89/594526889.db2.gz GBXKQQYBYMJJRS-QZTJIDSGSA-N 2 2 333.476 1.652 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cc(Cl)nnc3C2)CC1 ZINC000829169978 594576995 /nfs/dbraw/zinc/57/69/95/594576995.db2.gz UZBSJSDNMCBXQX-UHFFFAOYSA-N 2 2 337.899 1.904 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cc(Cl)nnc3C2)CC1 ZINC000829169978 594576996 /nfs/dbraw/zinc/57/69/96/594576996.db2.gz UZBSJSDNMCBXQX-UHFFFAOYSA-N 2 2 337.899 1.904 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCCCC[NH3+] ZINC000831263170 594594684 /nfs/dbraw/zinc/59/46/84/594594684.db2.gz CYAWBFPFBVYTKS-UHFFFAOYSA-N 3 2 327.517 1.173 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCCCC[NH3+] ZINC000831263170 594594685 /nfs/dbraw/zinc/59/46/85/594594685.db2.gz CYAWBFPFBVYTKS-UHFFFAOYSA-N 3 2 327.517 1.173 20 0 EDADLP CC(C)(CNC(=O)C[NH+]1CCCCCCCC1)[NH+]1CCOCC1 ZINC000831920222 594711351 /nfs/dbraw/zinc/71/13/51/594711351.db2.gz BJFUVGFAYDNZJC-UHFFFAOYSA-N 2 2 325.497 1.870 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCN3CC[NH2+]CC3)CC2)cc1 ZINC000841031188 594841978 /nfs/dbraw/zinc/84/19/78/594841978.db2.gz YKEHEDZQUCERQV-UHFFFAOYSA-N 3 2 345.535 1.606 20 0 EDADLP CCCOC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000841040898 594843378 /nfs/dbraw/zinc/84/33/78/594843378.db2.gz BZBWKEOZRXZGBX-HNNXBMFYSA-N 2 2 334.420 1.360 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000841087241 594849031 /nfs/dbraw/zinc/84/90/31/594849031.db2.gz SAQINSSCODWILV-LJQANCHMSA-N 3 2 332.492 1.690 20 0 EDADLP CN(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000841109546 594852073 /nfs/dbraw/zinc/85/20/73/594852073.db2.gz NGJIZWXTXGDZHQ-LBPRGKRZSA-N 2 2 325.844 1.513 20 0 EDADLP CN(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000841109546 594852074 /nfs/dbraw/zinc/85/20/74/594852074.db2.gz NGJIZWXTXGDZHQ-LBPRGKRZSA-N 2 2 325.844 1.513 20 0 EDADLP Cc1cc(Br)ncc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000841141585 594858060 /nfs/dbraw/zinc/85/80/60/594858060.db2.gz MBAIRWZEFWAUDJ-JTQLQIEISA-N 2 2 342.241 1.259 20 0 EDADLP Cc1cc(Br)ncc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000841141585 594858063 /nfs/dbraw/zinc/85/80/63/594858063.db2.gz MBAIRWZEFWAUDJ-JTQLQIEISA-N 2 2 342.241 1.259 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3noc(C[C@@H]4C[NH2+]CCO4)n3)C2)cc1 ZINC000843204345 595032874 /nfs/dbraw/zinc/03/28/74/595032874.db2.gz FNGPVPFGMSSNHB-HZPDHXFCSA-N 2 2 344.415 1.174 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3noc(C[C@@H]4C[NH2+]CCO4)n3)C2)cc1 ZINC000843204345 595032879 /nfs/dbraw/zinc/03/28/79/595032879.db2.gz FNGPVPFGMSSNHB-HZPDHXFCSA-N 2 2 344.415 1.174 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000843377809 595094013 /nfs/dbraw/zinc/09/40/13/595094013.db2.gz NKYXVZYVQQNUFS-HRCADAONSA-N 2 2 344.459 1.001 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000843377809 595094019 /nfs/dbraw/zinc/09/40/19/595094019.db2.gz NKYXVZYVQQNUFS-HRCADAONSA-N 2 2 344.459 1.001 20 0 EDADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1 ZINC000842476895 595115246 /nfs/dbraw/zinc/11/52/46/595115246.db2.gz VRQJFMHFZNDOHP-HNNXBMFYSA-N 2 2 331.420 1.704 20 0 EDADLP CC[N@@H+]1CCO[C@H](c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)C1 ZINC000842496767 595122548 /nfs/dbraw/zinc/12/25/48/595122548.db2.gz WJROUVSHMZTAHP-ZDUSSCGKSA-N 2 2 326.360 1.711 20 0 EDADLP CC[N@H+]1CCO[C@H](c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)C1 ZINC000842496767 595122550 /nfs/dbraw/zinc/12/25/50/595122550.db2.gz WJROUVSHMZTAHP-ZDUSSCGKSA-N 2 2 326.360 1.711 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000837769701 595191472 /nfs/dbraw/zinc/19/14/72/595191472.db2.gz CXCMJVORHPVZLS-JKSUJKDBSA-N 2 2 327.432 1.800 20 0 EDADLP NC(=O)COc1ccc(C[N@H+](CC[NH3+])CCc2ccccc2)cc1 ZINC000843122366 595292381 /nfs/dbraw/zinc/29/23/81/595292381.db2.gz RCWFXTZMPCQURI-UHFFFAOYSA-N 2 2 327.428 1.554 20 0 EDADLP NC(=O)COc1ccc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1 ZINC000843122366 595292383 /nfs/dbraw/zinc/29/23/83/595292383.db2.gz RCWFXTZMPCQURI-UHFFFAOYSA-N 2 2 327.428 1.554 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000844219936 595305602 /nfs/dbraw/zinc/30/56/02/595305602.db2.gz OYGJDWMAKNJLBR-RHSMWYFYSA-N 2 2 332.448 1.131 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000844219936 595305603 /nfs/dbraw/zinc/30/56/03/595305603.db2.gz OYGJDWMAKNJLBR-RHSMWYFYSA-N 2 2 332.448 1.131 20 0 EDADLP C[NH2+]CCC1CC[NH+](CC(=O)N=c2cc[nH]n2[C@@H](C)C2CC2)CC1 ZINC000844222902 595307172 /nfs/dbraw/zinc/30/71/72/595307172.db2.gz NEZWEHFQWCTMCU-AWEZNQCLSA-N 2 2 333.480 1.536 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000844225825 595309301 /nfs/dbraw/zinc/30/93/01/595309301.db2.gz HFWGVCANXXJMTA-HOTGVXAUSA-N 2 2 346.475 1.378 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000844225825 595309303 /nfs/dbraw/zinc/30/93/03/595309303.db2.gz HFWGVCANXXJMTA-HOTGVXAUSA-N 2 2 346.475 1.378 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000846837160 595323719 /nfs/dbraw/zinc/32/37/19/595323719.db2.gz XJNGDGMZNMHEJI-GOEBONIOSA-N 2 2 349.456 1.347 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000846837160 595323721 /nfs/dbraw/zinc/32/37/21/595323721.db2.gz XJNGDGMZNMHEJI-GOEBONIOSA-N 2 2 349.456 1.347 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000846875853 595331025 /nfs/dbraw/zinc/33/10/25/595331025.db2.gz LIDGRYPZHMTSIP-HNNXBMFYSA-N 2 2 332.404 1.283 20 0 EDADLP CC(=O)C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000846946650 595341176 /nfs/dbraw/zinc/34/11/76/595341176.db2.gz LBMQYXBWHCIHIQ-SFHVURJKSA-N 2 2 331.460 1.707 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000848237698 595344598 /nfs/dbraw/zinc/34/45/98/595344598.db2.gz JIWSLYIEMNJGQC-GASCZTMLSA-N 2 2 330.432 1.824 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC000848237698 595344599 /nfs/dbraw/zinc/34/45/99/595344599.db2.gz JIWSLYIEMNJGQC-GASCZTMLSA-N 2 2 330.432 1.824 20 0 EDADLP Cc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2=O)cc1 ZINC000848535315 595403566 /nfs/dbraw/zinc/40/35/66/595403566.db2.gz YJXVCYDOMNMEAN-RBUKOAKNSA-N 2 2 343.471 1.943 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000108568603 595519989 /nfs/dbraw/zinc/51/99/89/595519989.db2.gz OZXMSCHCLUTHPU-HNNXBMFYSA-N 2 2 332.448 1.991 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849562263 595570111 /nfs/dbraw/zinc/57/01/11/595570111.db2.gz DHVDVHHVQLMPCK-SJORKVTESA-N 2 2 344.463 1.201 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849562263 595570114 /nfs/dbraw/zinc/57/01/14/595570114.db2.gz DHVDVHHVQLMPCK-SJORKVTESA-N 2 2 344.463 1.201 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cn1 ZINC000852858404 595580243 /nfs/dbraw/zinc/58/02/43/595580243.db2.gz BLDMCHIPKAUNPI-GFCCVEGCSA-N 2 2 337.387 1.628 20 0 EDADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N[C@@H]1CCn2cc[nH+]c21 ZINC000850765285 595625915 /nfs/dbraw/zinc/62/59/15/595625915.db2.gz VRTRTMVQIZRNKG-HUUCEWRRSA-N 2 2 327.388 1.811 20 0 EDADLP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N[C@H]1CCn2c[nH+]cc21 ZINC000857986874 595677997 /nfs/dbraw/zinc/67/79/97/595677997.db2.gz XQKOGRRTTDVMEV-HNNXBMFYSA-N 2 2 340.431 1.051 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858051200 595691143 /nfs/dbraw/zinc/69/11/43/595691143.db2.gz JNPQVZFZCJUNPP-QZTJIDSGSA-N 2 2 331.460 1.867 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858051200 595691145 /nfs/dbraw/zinc/69/11/45/595691145.db2.gz JNPQVZFZCJUNPP-QZTJIDSGSA-N 2 2 331.460 1.867 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858051200 595691146 /nfs/dbraw/zinc/69/11/46/595691146.db2.gz JNPQVZFZCJUNPP-QZTJIDSGSA-N 2 2 331.460 1.867 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858051200 595691148 /nfs/dbraw/zinc/69/11/48/595691148.db2.gz JNPQVZFZCJUNPP-QZTJIDSGSA-N 2 2 331.460 1.867 20 0 EDADLP Cc1c[nH+]cn1CC(=O)O[C@H]1CCC[C@@H]1OC(=O)Cn1c[nH+]cc1C ZINC000860832971 595811317 /nfs/dbraw/zinc/81/13/17/595811317.db2.gz IOCXGNINPGYQMB-GJZGRUSLSA-N 2 2 346.387 1.404 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850364321 595820145 /nfs/dbraw/zinc/82/01/45/595820145.db2.gz AJLQCWWLRBIXIU-UHFFFAOYSA-N 2 2 325.356 1.214 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851740927 595903338 /nfs/dbraw/zinc/90/33/38/595903338.db2.gz BJUVUVDYLBQOBW-LMMKCTJWSA-N 2 2 332.492 1.605 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc(Cl)nc1 ZINC000853858932 595903468 /nfs/dbraw/zinc/90/34/68/595903468.db2.gz PFMJJXGCRVHYQZ-UHFFFAOYSA-N 2 2 341.887 1.460 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc(Cl)nc1 ZINC000853858932 595903470 /nfs/dbraw/zinc/90/34/70/595903470.db2.gz PFMJJXGCRVHYQZ-UHFFFAOYSA-N 2 2 341.887 1.460 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000851997516 596001494 /nfs/dbraw/zinc/00/14/94/596001494.db2.gz JTCVSUPJQPYKJD-INIZCTEOSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnon3)C2)ccn1 ZINC000856607083 596033227 /nfs/dbraw/zinc/03/32/27/596033227.db2.gz VFGSEIKMCIXOSP-KRWDZBQOSA-N 2 2 331.420 1.958 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnon3)C2)ccn1 ZINC000856607083 596033230 /nfs/dbraw/zinc/03/32/30/596033230.db2.gz VFGSEIKMCIXOSP-KRWDZBQOSA-N 2 2 331.420 1.958 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnon3)C2)ccn1 ZINC000856607083 596033234 /nfs/dbraw/zinc/03/32/34/596033234.db2.gz VFGSEIKMCIXOSP-KRWDZBQOSA-N 2 2 331.420 1.958 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnon3)C2)ccn1 ZINC000856607083 596033239 /nfs/dbraw/zinc/03/32/39/596033239.db2.gz VFGSEIKMCIXOSP-KRWDZBQOSA-N 2 2 331.420 1.958 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000852148107 596061732 /nfs/dbraw/zinc/06/17/32/596061732.db2.gz OEACZYHMXNOYDV-PMPSAXMXSA-N 2 2 341.496 1.629 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000852148107 596061737 /nfs/dbraw/zinc/06/17/37/596061737.db2.gz OEACZYHMXNOYDV-PMPSAXMXSA-N 2 2 341.496 1.629 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000852148107 596061742 /nfs/dbraw/zinc/06/17/42/596061742.db2.gz OEACZYHMXNOYDV-PMPSAXMXSA-N 2 2 341.496 1.629 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000852148107 596061746 /nfs/dbraw/zinc/06/17/46/596061746.db2.gz OEACZYHMXNOYDV-PMPSAXMXSA-N 2 2 341.496 1.629 20 0 EDADLP O[C@@H](CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000852340098 596130850 /nfs/dbraw/zinc/13/08/50/596130850.db2.gz VVJSHGWTOIPAGC-AQNXPRMDSA-N 2 2 345.487 1.028 20 0 EDADLP O[C@@H](CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000852340098 596130852 /nfs/dbraw/zinc/13/08/52/596130852.db2.gz VVJSHGWTOIPAGC-AQNXPRMDSA-N 2 2 345.487 1.028 20 0 EDADLP O=C1C[C@]2(CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)Oc2ccccc21 ZINC000859578480 596137570 /nfs/dbraw/zinc/13/75/70/596137570.db2.gz SIISMWWRZYWONZ-UZLBHIALSA-N 2 2 344.455 1.943 20 0 EDADLP O=C1C[C@]2(CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)Oc2ccccc21 ZINC000859578480 596137572 /nfs/dbraw/zinc/13/75/72/596137572.db2.gz SIISMWWRZYWONZ-UZLBHIALSA-N 2 2 344.455 1.943 20 0 EDADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854727595 596177730 /nfs/dbraw/zinc/17/77/30/596177730.db2.gz MBYSNIWNHNPETO-PKOBYXMFSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854727595 596177738 /nfs/dbraw/zinc/17/77/38/596177738.db2.gz MBYSNIWNHNPETO-PKOBYXMFSA-N 2 2 349.519 1.964 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C[C@@H]1C ZINC000862098273 596204153 /nfs/dbraw/zinc/20/41/53/596204153.db2.gz LTCUXDCFJXUZLY-XHSDSOJGSA-N 2 2 334.464 1.322 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C[C@@H]1C ZINC000862098273 596204155 /nfs/dbraw/zinc/20/41/55/596204155.db2.gz LTCUXDCFJXUZLY-XHSDSOJGSA-N 2 2 334.464 1.322 20 0 EDADLP CN1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)Cc2ccc[nH+]c21 ZINC000868590011 596239593 /nfs/dbraw/zinc/23/95/93/596239593.db2.gz DVGNDEFRGVYQQU-UHFFFAOYSA-N 2 2 340.431 1.776 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000866698765 596298897 /nfs/dbraw/zinc/29/88/97/596298897.db2.gz DGQCLSXPLKXUOW-UHFFFAOYSA-N 2 2 341.402 1.978 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000866698765 596298899 /nfs/dbraw/zinc/29/88/99/596298899.db2.gz DGQCLSXPLKXUOW-UHFFFAOYSA-N 2 2 341.402 1.978 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[NH2+]CCC1(C)C)c1ccccc1 ZINC000866699995 596299344 /nfs/dbraw/zinc/29/93/44/596299344.db2.gz YIFLRPYPXONUOB-KRWDZBQOSA-N 3 2 332.492 1.479 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[NH2+]CCC1(C)C)c1ccccc1 ZINC000866699995 596299345 /nfs/dbraw/zinc/29/93/45/596299345.db2.gz YIFLRPYPXONUOB-KRWDZBQOSA-N 3 2 332.492 1.479 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H](O)c3ccccc3)c2)CC1 ZINC000870666610 596314817 /nfs/dbraw/zinc/31/48/17/596314817.db2.gz IKFSTGFMYFOGDC-KRWDZBQOSA-N 2 2 326.400 1.506 20 0 EDADLP [NH3+][C@H]1CCc2nc(NC(=O)Cc3cn4cc(F)ccc4[nH+]3)sc2C1 ZINC000870914745 596401786 /nfs/dbraw/zinc/40/17/86/596401786.db2.gz SEVLPWMIGPYQOW-JTQLQIEISA-N 2 2 345.403 1.927 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC1 ZINC000867580927 596441631 /nfs/dbraw/zinc/44/16/31/596441631.db2.gz GOSGMAUBYPTEBY-UHFFFAOYSA-N 2 2 349.500 1.228 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000867856849 596587783 /nfs/dbraw/zinc/58/77/83/596587783.db2.gz CBAQBXLLMMXTPQ-HUUCEWRRSA-N 2 2 334.370 1.661 20 0 EDADLP C[NH+](C)[C@@H]1CCOc2c(NC(=O)/C=C\C[NH+]3CCOCC3)cccc21 ZINC000867907163 596612329 /nfs/dbraw/zinc/61/23/29/596612329.db2.gz OUSFVLDCRXROAB-DANOYGIBSA-N 2 2 345.443 1.899 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000863549639 596614719 /nfs/dbraw/zinc/61/47/19/596614719.db2.gz NUWXNXDVLUEHHG-DOTOQJQBSA-N 2 2 346.431 1.310 20 0 EDADLP CC(C)[C@@H](C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000871541779 596620580 /nfs/dbraw/zinc/62/05/80/596620580.db2.gz KCYALTXAPXDCJJ-INIZCTEOSA-N 2 2 341.496 1.495 20 0 EDADLP C[NH+]1CCC(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC000871542468 596621429 /nfs/dbraw/zinc/62/14/29/596621429.db2.gz FHXVIWVZMMVQNL-UHFFFAOYSA-N 2 2 339.480 1.251 20 0 EDADLP COc1ccccc1-n1nccc1C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659635 596641211 /nfs/dbraw/zinc/64/12/11/596641211.db2.gz KSWQWFCWHSCZEI-HNNXBMFYSA-N 2 2 344.459 1.816 20 0 EDADLP COc1ccccc1-n1nccc1C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659635 596641215 /nfs/dbraw/zinc/64/12/15/596641215.db2.gz KSWQWFCWHSCZEI-HNNXBMFYSA-N 2 2 344.459 1.816 20 0 EDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865699128 596653139 /nfs/dbraw/zinc/65/31/39/596653139.db2.gz UEUJNMGDWKRUHU-JKNJVXJCSA-N 2 2 337.508 1.892 20 0 EDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865699128 596653143 /nfs/dbraw/zinc/65/31/43/596653143.db2.gz UEUJNMGDWKRUHU-JKNJVXJCSA-N 2 2 337.508 1.892 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)/C=C\C[NH+]2CCOCC2)ccc1F ZINC000865893759 596713714 /nfs/dbraw/zinc/71/37/14/596713714.db2.gz KLRUJZNSMJZXES-ARJAWSKDSA-N 2 2 335.423 1.392 20 0 EDADLP Nc1nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc(C2CCCC2)[nH+]1 ZINC000865919094 596721825 /nfs/dbraw/zinc/72/18/25/596721825.db2.gz UKOQSUOUJQURMG-OAHLLOKOSA-N 2 2 346.479 1.803 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnn1C ZINC000868210077 596725415 /nfs/dbraw/zinc/72/54/15/596725415.db2.gz BGKYMLUCZINJBE-AWEZNQCLSA-N 2 2 348.495 1.339 20 0 EDADLP O=C(N1CC[NH2+][C@H](c2ccc(O)cc2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000870085736 596742838 /nfs/dbraw/zinc/74/28/38/596742838.db2.gz JGCLGVNGUPGRCX-KRWDZBQOSA-N 2 2 345.443 1.120 20 0 EDADLP COC(C)(C)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000868291035 596769708 /nfs/dbraw/zinc/76/97/08/596769708.db2.gz YXHPRNAGVMDYLG-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP COC(C)(C)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000868291035 596769711 /nfs/dbraw/zinc/76/97/11/596769711.db2.gz YXHPRNAGVMDYLG-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CCCNc1cc(N2CC[NH+](CCc3cnccn3)CC2)nc[nH+]1 ZINC000866119997 596795222 /nfs/dbraw/zinc/79/52/22/596795222.db2.gz PDNPGCNKFCJGHG-UHFFFAOYSA-N 2 2 327.436 1.453 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(O)ccc1F ZINC000872034894 596798189 /nfs/dbraw/zinc/79/81/89/596798189.db2.gz MDRWVYFSBAVUJV-LSDHHAIUSA-N 2 2 337.439 1.588 20 0 EDADLP C[C@H](CNC(=O)N1CCN(C)c2[nH+]cccc2C1)C[NH+]1CCCC1 ZINC000868358333 596800201 /nfs/dbraw/zinc/80/02/01/596800201.db2.gz PNJVDCBZPXPRBK-OAHLLOKOSA-N 2 2 331.464 1.775 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000866140984 596802095 /nfs/dbraw/zinc/80/20/95/596802095.db2.gz OJROKEDIMFQWFM-OAHLLOKOSA-N 2 2 343.431 1.689 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000866140984 596802096 /nfs/dbraw/zinc/80/20/96/596802096.db2.gz OJROKEDIMFQWFM-OAHLLOKOSA-N 2 2 343.431 1.689 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1C(F)(F)F ZINC000872149274 596812907 /nfs/dbraw/zinc/81/29/07/596812907.db2.gz NHWYNXNKDAKEAJ-PWSUYJOCSA-N 2 2 340.349 1.947 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@@H]1C(F)(F)F ZINC000872149274 596812908 /nfs/dbraw/zinc/81/29/08/596812908.db2.gz NHWYNXNKDAKEAJ-PWSUYJOCSA-N 2 2 340.349 1.947 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C[C@H]1C(F)(F)F ZINC000872151577 596813434 /nfs/dbraw/zinc/81/34/34/596813434.db2.gz WNFWEWGQEVVQHI-BNOWGMLFSA-N 2 2 327.350 1.861 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C[C@H]1C(F)(F)F ZINC000872151577 596813436 /nfs/dbraw/zinc/81/34/36/596813436.db2.gz WNFWEWGQEVVQHI-BNOWGMLFSA-N 2 2 327.350 1.861 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154353 596814928 /nfs/dbraw/zinc/81/49/28/596814928.db2.gz XZGKIDJJIGECDF-SUMWQHHRSA-N 2 2 337.851 1.506 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154353 596814930 /nfs/dbraw/zinc/81/49/30/596814930.db2.gz XZGKIDJJIGECDF-SUMWQHHRSA-N 2 2 337.851 1.506 20 0 EDADLP COC[C@@]1(c2nc(Cc3cn4ccccc4[nH+]3)no2)CCCC[NH2+]1 ZINC000872173453 596819923 /nfs/dbraw/zinc/81/99/23/596819923.db2.gz URHXUPKOSWJYOW-QGZVFWFLSA-N 2 2 327.388 1.923 20 0 EDADLP CN1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)Cc2ccc[nH+]c21 ZINC000868429796 596835632 /nfs/dbraw/zinc/83/56/32/596835632.db2.gz JFBXETFTIKLRMA-JKSUJKDBSA-N 2 2 331.464 1.916 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C\c2ccc(C=O)cc2)CC1 ZINC000866352034 596863776 /nfs/dbraw/zinc/86/37/76/596863776.db2.gz GAMBFGLDGVBCOU-FPLPWBNLSA-N 2 2 329.444 1.655 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000872276653 596864866 /nfs/dbraw/zinc/86/48/66/596864866.db2.gz SBJGYHLGQVGSMB-JKSUJKDBSA-N 2 2 332.448 1.442 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000872280232 596865579 /nfs/dbraw/zinc/86/55/79/596865579.db2.gz QBHTZQSFMXIZFQ-UXLLHSPISA-N 2 2 341.521 1.218 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000875597426 596911044 /nfs/dbraw/zinc/91/10/44/596911044.db2.gz CZONXIPXGDKCLZ-AWEZNQCLSA-N 2 2 347.463 1.021 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000875597426 596911048 /nfs/dbraw/zinc/91/10/48/596911048.db2.gz CZONXIPXGDKCLZ-AWEZNQCLSA-N 2 2 347.463 1.021 20 0 EDADLP CN(c1cc(Cl)n[nH]c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000872451953 596913881 /nfs/dbraw/zinc/91/38/81/596913881.db2.gz SIPNYOGNUQIJNT-GFCCVEGCSA-N 2 2 325.844 1.440 20 0 EDADLP CN(c1cc(Cl)n[nH]c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000872451953 596913883 /nfs/dbraw/zinc/91/38/83/596913883.db2.gz SIPNYOGNUQIJNT-GFCCVEGCSA-N 2 2 325.844 1.440 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)ccc2[nH+]1 ZINC000874172525 596952684 /nfs/dbraw/zinc/95/26/84/596952684.db2.gz JVBHEQWYQQFPRJ-HIFRSBDPSA-N 2 2 341.415 1.134 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)ccc2[nH+]1 ZINC000874172525 596952686 /nfs/dbraw/zinc/95/26/86/596952686.db2.gz JVBHEQWYQQFPRJ-HIFRSBDPSA-N 2 2 341.415 1.134 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000874230920 596976545 /nfs/dbraw/zinc/97/65/45/596976545.db2.gz XILCDNWRHAPIBX-UHFFFAOYSA-N 2 2 342.443 1.847 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c(F)cncc3F)CC2)CC1 ZINC000874256089 596988334 /nfs/dbraw/zinc/98/83/34/596988334.db2.gz HHIUPYFOYCDQIY-UHFFFAOYSA-N 2 2 338.402 1.648 20 0 EDADLP CSC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000872628359 596998194 /nfs/dbraw/zinc/99/81/94/596998194.db2.gz VJXOXZAJIOJSBO-INIZCTEOSA-N 2 2 325.478 1.688 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cn3cnc(-c4ccccc4)n3)CC2)CC1 ZINC000872731317 597050178 /nfs/dbraw/zinc/05/01/78/597050178.db2.gz BBYLYQMCXNPKBI-UHFFFAOYSA-N 2 2 340.475 1.614 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876108310 597093238 /nfs/dbraw/zinc/09/32/38/597093238.db2.gz QNEAAEZBHJXRQS-MHAAMQRSSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876108310 597093241 /nfs/dbraw/zinc/09/32/41/597093241.db2.gz QNEAAEZBHJXRQS-MHAAMQRSSA-N 2 2 340.512 1.658 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000874703387 597147616 /nfs/dbraw/zinc/14/76/16/597147616.db2.gz PQIFBTSEBVDYKU-MSOLQXFVSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000874703387 597147618 /nfs/dbraw/zinc/14/76/18/597147618.db2.gz PQIFBTSEBVDYKU-MSOLQXFVSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000874703387 597147620 /nfs/dbraw/zinc/14/76/20/597147620.db2.gz PQIFBTSEBVDYKU-MSOLQXFVSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000874703387 597147624 /nfs/dbraw/zinc/14/76/24/597147624.db2.gz PQIFBTSEBVDYKU-MSOLQXFVSA-N 2 2 333.476 1.906 20 0 EDADLP CC[NH+]1CCC([NH2+]Cc2cn(Cc3ccc(OC)cc3)nn2)CC1 ZINC000873007847 597158690 /nfs/dbraw/zinc/15/86/90/597158690.db2.gz HOXPQDWIYIDLOQ-UHFFFAOYSA-N 2 2 329.448 1.909 20 0 EDADLP CCOc1cccc(F)c1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000873044050 597169336 /nfs/dbraw/zinc/16/93/36/597169336.db2.gz AEFXOSDCHOBHFN-AWEZNQCLSA-N 2 2 337.439 1.901 20 0 EDADLP CCOc1cccc(F)c1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000873044050 597169340 /nfs/dbraw/zinc/16/93/40/597169340.db2.gz AEFXOSDCHOBHFN-AWEZNQCLSA-N 2 2 337.439 1.901 20 0 EDADLP Nc1cnc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000873213849 597229467 /nfs/dbraw/zinc/22/94/67/597229467.db2.gz RPAYCCYPURBXJZ-UHFFFAOYSA-N 2 2 326.448 1.142 20 0 EDADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(OC)c1O ZINC000873228056 597234432 /nfs/dbraw/zinc/23/44/32/597234432.db2.gz OPVGPNHGYQCKIY-WDEREUQCSA-N 2 2 334.338 1.978 20 0 EDADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc(OC)c1O ZINC000873228056 597234434 /nfs/dbraw/zinc/23/44/34/597234434.db2.gz OPVGPNHGYQCKIY-WDEREUQCSA-N 2 2 334.338 1.978 20 0 EDADLP Nc1cc(F)cc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000873288077 597248760 /nfs/dbraw/zinc/24/87/60/597248760.db2.gz UJYGCWJCFLJZAI-UHFFFAOYSA-N 2 2 336.455 1.294 20 0 EDADLP Nc1cc(F)cc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000873288077 597248763 /nfs/dbraw/zinc/24/87/63/597248763.db2.gz UJYGCWJCFLJZAI-UHFFFAOYSA-N 2 2 336.455 1.294 20 0 EDADLP c1nnc([C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2ccccc2)[nH]1 ZINC000873290861 597249312 /nfs/dbraw/zinc/24/93/12/597249312.db2.gz BHTMLVPYZATQGW-CVEARBPZSA-N 2 2 327.432 1.642 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873305807 597251770 /nfs/dbraw/zinc/25/17/70/597251770.db2.gz YTDBKFXRRIRFTO-PKOBYXMFSA-N 2 2 344.459 1.925 20 0 EDADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876710455 597297648 /nfs/dbraw/zinc/29/76/48/597297648.db2.gz LBDRBSBVGPWGOQ-ZERCDLRSSA-N 2 2 343.471 1.559 20 0 EDADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876710455 597297654 /nfs/dbraw/zinc/29/76/54/597297654.db2.gz LBDRBSBVGPWGOQ-ZERCDLRSSA-N 2 2 343.471 1.559 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOC[C@H]2CC)C1 ZINC000875142214 597300482 /nfs/dbraw/zinc/30/04/82/597300482.db2.gz GVXCHEJVPHJENL-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOC[C@H]2CC)C1 ZINC000875142214 597300485 /nfs/dbraw/zinc/30/04/85/597300485.db2.gz GVXCHEJVPHJENL-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CC[C@@H](CNC(=O)NCC[N@@H+]2CCOC[C@H]2CC)C1 ZINC000875142214 597300488 /nfs/dbraw/zinc/30/04/88/597300488.db2.gz GVXCHEJVPHJENL-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CC[C@@H](CNC(=O)NCC[N@H+]2CCOC[C@H]2CC)C1 ZINC000875142214 597300490 /nfs/dbraw/zinc/30/04/90/597300490.db2.gz GVXCHEJVPHJENL-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c1)[NH+]1CCOCC1 ZINC000876756345 597324410 /nfs/dbraw/zinc/32/44/10/597324410.db2.gz RRQZCEDAMCVZLT-UGFHNGPFSA-N 2 2 339.386 1.858 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000875238328 597346991 /nfs/dbraw/zinc/34/69/91/597346991.db2.gz IQZRJJNDSNPGJL-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000875238328 597346994 /nfs/dbraw/zinc/34/69/94/597346994.db2.gz IQZRJJNDSNPGJL-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000875238328 597346996 /nfs/dbraw/zinc/34/69/96/597346996.db2.gz IQZRJJNDSNPGJL-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000875238328 597346997 /nfs/dbraw/zinc/34/69/97/597346997.db2.gz IQZRJJNDSNPGJL-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000875301865 597376376 /nfs/dbraw/zinc/37/63/76/597376376.db2.gz GHXLUMYQVFLDKV-JKSUJKDBSA-N 2 2 342.528 1.763 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000875301865 597376381 /nfs/dbraw/zinc/37/63/81/597376381.db2.gz GHXLUMYQVFLDKV-JKSUJKDBSA-N 2 2 342.528 1.763 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877247412 597477740 /nfs/dbraw/zinc/47/77/40/597477740.db2.gz KGUXAFRELQXIMZ-DZGCQCFKSA-N 2 2 327.350 1.831 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877247412 597477741 /nfs/dbraw/zinc/47/77/41/597477741.db2.gz KGUXAFRELQXIMZ-DZGCQCFKSA-N 2 2 327.350 1.831 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)C2)cc1 ZINC000877249973 597479725 /nfs/dbraw/zinc/47/97/25/597479725.db2.gz ZUAAJEYRBNGPJQ-QXAKKESOSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@@H](C)CC[NH2+]3)C2)cc1 ZINC000877249973 597479729 /nfs/dbraw/zinc/47/97/29/597479729.db2.gz ZUAAJEYRBNGPJQ-QXAKKESOSA-N 2 2 345.487 1.700 20 0 EDADLP O=C(C[NH+]1CCCC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000873992959 597481086 /nfs/dbraw/zinc/48/10/86/597481086.db2.gz LHLFPCORYJQANG-UHFFFAOYSA-N 2 2 334.439 1.160 20 0 EDADLP COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)C1 ZINC000877713544 597549940 /nfs/dbraw/zinc/54/99/40/597549940.db2.gz HUSQOSPDQIVXDH-INIZCTEOSA-N 2 2 346.412 1.828 20 0 EDADLP COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)C1 ZINC000877713544 597549941 /nfs/dbraw/zinc/54/99/41/597549941.db2.gz HUSQOSPDQIVXDH-INIZCTEOSA-N 2 2 346.412 1.828 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)C[N@@H+](C)C3CCC3)C2)cc1 ZINC000881438828 597619272 /nfs/dbraw/zinc/61/92/72/597619272.db2.gz ZWYXHROMFJVYJJ-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)C[N@H+](C)C3CCC3)C2)cc1 ZINC000881438828 597619274 /nfs/dbraw/zinc/61/92/74/597619274.db2.gz ZWYXHROMFJVYJJ-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[NH+](C)C3CCC3)C2)cc1 ZINC000881438828 597619276 /nfs/dbraw/zinc/61/92/76/597619276.db2.gz ZWYXHROMFJVYJJ-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[NH+](C)C3CCC3)C2)cc1 ZINC000881438828 597619279 /nfs/dbraw/zinc/61/92/79/597619279.db2.gz ZWYXHROMFJVYJJ-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)CC1 ZINC000879590572 597647340 /nfs/dbraw/zinc/64/73/40/597647340.db2.gz AGURPGLWXVKLJS-GOSISDBHSA-N 2 2 339.430 1.710 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)CC1 ZINC000879590641 597647529 /nfs/dbraw/zinc/64/75/29/597647529.db2.gz CRAXWZPWNAYWQH-GOSISDBHSA-N 2 2 339.430 1.710 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000878694558 597681450 /nfs/dbraw/zinc/68/14/50/597681450.db2.gz VFTLRCQIQBRNHU-RTBURBONSA-N 2 2 348.487 1.298 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880567615 597966518 /nfs/dbraw/zinc/96/65/18/597966518.db2.gz LDAAKKHVHJZCQZ-MRXNPFEDSA-N 2 2 343.431 1.696 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571888 597967585 /nfs/dbraw/zinc/96/75/85/597967585.db2.gz VAQVQBRGOKEJGE-HIFRSBDPSA-N 2 2 329.404 1.448 20 0 EDADLP [NH3+][C@@H](C(=O)NCCC[NH+]1CCOCC1)c1ccccc1C(F)(F)F ZINC000884176146 598015191 /nfs/dbraw/zinc/01/51/91/598015191.db2.gz XGSUHDADJSJPGE-CQSZACIVSA-N 2 2 345.365 1.544 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884192551 598022278 /nfs/dbraw/zinc/02/22/78/598022278.db2.gz INEZLERRNNYJGT-UHFFFAOYSA-N 2 2 340.431 1.118 20 0 EDADLP C[C@@H](c1ccc(NC(=O)c2ncoc2C[NH3+])cc1)[NH+]1CCOCC1 ZINC000884213190 598031762 /nfs/dbraw/zinc/03/17/62/598031762.db2.gz VOWXHSIZQMVBMK-LBPRGKRZSA-N 2 2 330.388 1.779 20 0 EDADLP COCc1c(C)cc(C)c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1C ZINC000882935338 598109802 /nfs/dbraw/zinc/10/98/02/598109802.db2.gz NALQHQOOBKZHLZ-UHFFFAOYSA-N 2 2 333.476 1.622 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCOC2CCC2)[C@H]1C ZINC000994297593 696725794 /nfs/dbraw/zinc/72/57/94/696725794.db2.gz HVRYHCRCNWULIK-GOEBONIOSA-N 2 2 334.464 1.799 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCOC2CCC2)[C@H]1C ZINC000994297593 696725796 /nfs/dbraw/zinc/72/57/96/696725796.db2.gz HVRYHCRCNWULIK-GOEBONIOSA-N 2 2 334.464 1.799 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000914099343 695097375 /nfs/dbraw/zinc/09/73/75/695097375.db2.gz ZKUZWOJXIKHQBU-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000914099343 695097378 /nfs/dbraw/zinc/09/73/78/695097378.db2.gz ZKUZWOJXIKHQBU-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000914243936 695303432 /nfs/dbraw/zinc/30/34/32/695303432.db2.gz XEUBAQZJXKJQFB-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000914293948 695341137 /nfs/dbraw/zinc/34/11/37/695341137.db2.gz SHSRNBXLPULTPW-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939856165 699994861 /nfs/dbraw/zinc/99/48/61/699994861.db2.gz JQTUUUULOQEZKQ-MLGOLLRUSA-N 2 2 334.370 1.798 20 0 EDADLP CO[C@H](C[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1)C1CCC1 ZINC001031049393 695378362 /nfs/dbraw/zinc/37/83/62/695378362.db2.gz CREMVMCEXCLFQR-CRAIPNDOSA-N 2 2 337.508 1.866 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992850411 695410271 /nfs/dbraw/zinc/41/02/71/695410271.db2.gz GDTPRIVAULFVGX-XKQJLSEDSA-N 2 2 343.431 1.368 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC000992857684 695417620 /nfs/dbraw/zinc/41/76/20/695417620.db2.gz KDZHLXWMUVZHHX-GVDBMIGSSA-N 2 2 339.443 1.764 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC000992873917 695421846 /nfs/dbraw/zinc/42/18/46/695421846.db2.gz PGKYOJKNSCJNDU-JQHSSLGASA-N 2 2 330.476 1.979 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCOCC3)[C@H]2C1 ZINC000992920414 695454371 /nfs/dbraw/zinc/45/43/71/695454371.db2.gz CWXKKZGWMXQGCM-BZSNNMDCSA-N 2 2 346.475 1.526 20 0 EDADLP Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)n1 ZINC000992922799 695455623 /nfs/dbraw/zinc/45/56/23/695455623.db2.gz HYONLDQCONZAJL-HYVNUMGLSA-N 2 2 342.447 1.034 20 0 EDADLP O=C(NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000914580287 695583441 /nfs/dbraw/zinc/58/34/41/695583441.db2.gz KQPQKNXXLLJJNT-GOSISDBHSA-N 2 2 349.450 1.477 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001031252982 696016681 /nfs/dbraw/zinc/01/66/81/696016681.db2.gz MLIUDPHEKUMWAA-MRXNPFEDSA-N 2 2 327.472 1.818 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001031252982 696016685 /nfs/dbraw/zinc/01/66/85/696016685.db2.gz MLIUDPHEKUMWAA-MRXNPFEDSA-N 2 2 327.472 1.818 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)n(C)n2)[C@H]1C ZINC000993611728 696258582 /nfs/dbraw/zinc/25/85/82/696258582.db2.gz HQRZVHDANHBMEY-RDJZCZTQSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)n(C)n2)[C@H]1C ZINC000993611728 696258583 /nfs/dbraw/zinc/25/85/83/696258583.db2.gz HQRZVHDANHBMEY-RDJZCZTQSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2snnc2C)[C@@H]1C ZINC000993622051 696263883 /nfs/dbraw/zinc/26/38/83/696263883.db2.gz NFQYRLDQZIDCFI-ZIAGYGMSSA-N 2 2 348.476 1.521 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2snnc2C)[C@@H]1C ZINC000993622051 696263885 /nfs/dbraw/zinc/26/38/85/696263885.db2.gz NFQYRLDQZIDCFI-ZIAGYGMSSA-N 2 2 348.476 1.521 20 0 EDADLP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)oc1C ZINC000994250743 696643829 /nfs/dbraw/zinc/64/38/29/696643829.db2.gz IYEMXNYIORMELA-GOEBONIOSA-N 2 2 346.475 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)oc1C ZINC000994250743 696643832 /nfs/dbraw/zinc/64/38/32/696643832.db2.gz IYEMXNYIORMELA-GOEBONIOSA-N 2 2 346.475 1.856 20 0 EDADLP CCCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000940007989 700109232 /nfs/dbraw/zinc/10/92/32/700109232.db2.gz CNGUXQBBGWVXAS-CQSZACIVSA-N 2 2 349.479 1.587 20 0 EDADLP CCCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000940007989 700109233 /nfs/dbraw/zinc/10/92/33/700109233.db2.gz CNGUXQBBGWVXAS-CQSZACIVSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1oncc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994417596 696832621 /nfs/dbraw/zinc/83/26/21/696832621.db2.gz DLOPHVFMILAHFS-LRDDRELGSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1oncc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994417596 696832623 /nfs/dbraw/zinc/83/26/23/696832623.db2.gz DLOPHVFMILAHFS-LRDDRELGSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2nccnc2C)[C@@H]1C ZINC000994425230 696847256 /nfs/dbraw/zinc/84/72/56/696847256.db2.gz RNWUHQOFSNLCAY-GDBMZVCRSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2nccnc2C)[C@@H]1C ZINC000994425230 696847261 /nfs/dbraw/zinc/84/72/61/696847261.db2.gz RNWUHQOFSNLCAY-GDBMZVCRSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnn(C)c2)[C@@H]1C ZINC000994425954 696848202 /nfs/dbraw/zinc/84/82/02/696848202.db2.gz SIAFMLDZNQAILL-CZUORRHYSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)o1 ZINC000994510184 696953989 /nfs/dbraw/zinc/95/39/89/696953989.db2.gz SSGLBLTWRHOGIO-HIFRSBDPSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)o1 ZINC000994510184 696953991 /nfs/dbraw/zinc/95/39/91/696953991.db2.gz SSGLBLTWRHOGIO-HIFRSBDPSA-N 2 2 331.420 1.657 20 0 EDADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000925445440 697108738 /nfs/dbraw/zinc/10/87/38/697108738.db2.gz KJUPUBVZHPLFJZ-GVDBMIGSSA-N 2 2 337.508 1.724 20 0 EDADLP COC(C)(C)[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000918906858 697222419 /nfs/dbraw/zinc/22/24/19/697222419.db2.gz RTRQCEBXOMFPHX-ZIAGYGMSSA-N 2 2 326.485 1.268 20 0 EDADLP COC(C)(C)[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000918906858 697222420 /nfs/dbraw/zinc/22/24/20/697222420.db2.gz RTRQCEBXOMFPHX-ZIAGYGMSSA-N 2 2 326.485 1.268 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668272 697459666 /nfs/dbraw/zinc/45/96/66/697459666.db2.gz BZTFLFRLZRQWKB-YJBOKZPZSA-N 2 2 346.450 1.643 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668272 697459668 /nfs/dbraw/zinc/45/96/68/697459668.db2.gz BZTFLFRLZRQWKB-YJBOKZPZSA-N 2 2 346.450 1.643 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)sc1C ZINC001031674845 697483711 /nfs/dbraw/zinc/48/37/11/697483711.db2.gz QLCRFGBEXADIRA-MRXNPFEDSA-N 2 2 348.516 1.650 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001031675599 697484719 /nfs/dbraw/zinc/48/47/19/697484719.db2.gz OEQJEVWQMVAUGI-BBRMVZONSA-N 2 2 332.448 1.434 20 0 EDADLP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC000940083236 700177757 /nfs/dbraw/zinc/17/77/57/700177757.db2.gz KMVSOBIZSGLCKZ-UHFFFAOYSA-N 2 2 330.436 1.247 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943174378 697866971 /nfs/dbraw/zinc/86/69/71/697866971.db2.gz CDATZTRIEYAFCL-BZNIZROVSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943174378 697866973 /nfs/dbraw/zinc/86/69/73/697866973.db2.gz CDATZTRIEYAFCL-BZNIZROVSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943177774 697873939 /nfs/dbraw/zinc/87/39/39/697873939.db2.gz PUHWXVGUSFNVLF-BLLLJJGKSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943177774 697873941 /nfs/dbraw/zinc/87/39/41/697873941.db2.gz PUHWXVGUSFNVLF-BLLLJJGKSA-N 2 2 330.436 1.021 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943285414 698043001 /nfs/dbraw/zinc/04/30/01/698043001.db2.gz ADHBWGGSUVMBMY-RHSMWYFYSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943285414 698043006 /nfs/dbraw/zinc/04/30/06/698043006.db2.gz ADHBWGGSUVMBMY-RHSMWYFYSA-N 2 2 334.464 1.733 20 0 EDADLP CCc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000995037573 700208997 /nfs/dbraw/zinc/20/89/97/700208997.db2.gz OBVXEQBRYBIQSM-LSDHHAIUSA-N 2 2 345.447 1.817 20 0 EDADLP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001031744630 698344704 /nfs/dbraw/zinc/34/47/04/698344704.db2.gz LIEVVZNOJXTAMU-HZPDHXFCSA-N 2 2 332.448 1.378 20 0 EDADLP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001031744630 698344709 /nfs/dbraw/zinc/34/47/09/698344709.db2.gz LIEVVZNOJXTAMU-HZPDHXFCSA-N 2 2 332.448 1.378 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154233 701556220 /nfs/dbraw/zinc/55/62/20/701556220.db2.gz RPZYUBYATMTQRW-UKRRQHHQSA-N 2 2 330.436 1.069 20 0 EDADLP CC(C)n1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000995152931 701558013 /nfs/dbraw/zinc/55/80/13/701558013.db2.gz MSMXNDZTHNHUEB-HUUCEWRRSA-N 2 2 344.463 1.804 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766720 699065138 /nfs/dbraw/zinc/06/51/38/699065138.db2.gz MHCOVZGEVSXBGN-FUHWJXTLSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031766720 699065140 /nfs/dbraw/zinc/06/51/40/699065140.db2.gz MHCOVZGEVSXBGN-FUHWJXTLSA-N 2 2 343.475 1.350 20 0 EDADLP COc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cc1 ZINC000939210807 699358750 /nfs/dbraw/zinc/35/87/50/699358750.db2.gz PVAJWFGKBBSYIM-KBXCAEBGSA-N 2 2 342.443 1.640 20 0 EDADLP C[C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1[NH2+]CCF ZINC000939236110 699404614 /nfs/dbraw/zinc/40/46/14/699404614.db2.gz NZDUPGFKRLSLSH-LSDHHAIUSA-N 2 2 327.444 1.037 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)o1 ZINC000939394114 699544424 /nfs/dbraw/zinc/54/44/24/699544424.db2.gz AYUUZOJCRLGFER-UKRRQHHQSA-N 2 2 335.452 1.046 20 0 EDADLP COCc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1 ZINC000939412004 699565418 /nfs/dbraw/zinc/56/54/18/699565418.db2.gz GFWXDRIQNSDFPO-PBHICJAKSA-N 2 2 342.443 1.735 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000995164581 701603533 /nfs/dbraw/zinc/60/35/33/701603533.db2.gz CBLYJIMSGFFMFK-ZIAGYGMSSA-N 2 2 331.420 1.334 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC000939535297 699676141 /nfs/dbraw/zinc/67/61/41/699676141.db2.gz PGBPMNUOLDCWCI-BXUZGUMPSA-N 2 2 333.461 1.364 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939535972 699677162 /nfs/dbraw/zinc/67/71/62/699677162.db2.gz SVORQQABHKINCL-RISCZKNCSA-N 2 2 333.461 1.364 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CCc1ccns1 ZINC000939537352 699678277 /nfs/dbraw/zinc/67/82/77/699678277.db2.gz ZPCIGLLORMSXPE-WFASDCNBSA-N 2 2 333.461 1.098 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)n1 ZINC000939552437 699702527 /nfs/dbraw/zinc/70/25/27/699702527.db2.gz YGZTUCLLQGXKBJ-RISCZKNCSA-N 2 2 344.419 1.089 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939621746 699758239 /nfs/dbraw/zinc/75/82/39/699758239.db2.gz CYBLKZCAIDYNQP-DOMZBBRYSA-N 2 2 330.436 1.114 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939643294 699783486 /nfs/dbraw/zinc/78/34/86/699783486.db2.gz QRDAFWNUQQXKCH-HOCLYGCPSA-N 2 2 344.463 1.206 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nc(C(C)(C)C)no1 ZINC000939753330 699902663 /nfs/dbraw/zinc/90/26/63/699902663.db2.gz FAHVQNNWWKEQPU-KBPBESRZSA-N 2 2 349.479 1.399 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nn(C)cc1Cl ZINC000939755026 699904870 /nfs/dbraw/zinc/90/48/70/699904870.db2.gz OQVQUROODHHSAD-IUODEOHRSA-N 2 2 339.871 1.106 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)o1 ZINC000939809824 699958051 /nfs/dbraw/zinc/95/80/51/699958051.db2.gz KBULQRLGWLRHJS-DZGCQCFKSA-N 2 2 335.452 1.191 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]C2(C)CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)O1 ZINC000940144380 700273255 /nfs/dbraw/zinc/27/32/55/700273255.db2.gz HXZFKNYKZCRQSH-GDBMZVCRSA-N 2 2 334.464 1.881 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)O1 ZINC000940144380 700273259 /nfs/dbraw/zinc/27/32/59/700273259.db2.gz HXZFKNYKZCRQSH-GDBMZVCRSA-N 2 2 334.464 1.881 20 0 EDADLP Cc1nc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH+]ccn3C)CC2)co1 ZINC000940227849 700392582 /nfs/dbraw/zinc/39/25/82/700392582.db2.gz DLRFOCIRXBXMHO-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1)n1cc[nH+]c1 ZINC000940357590 700526069 /nfs/dbraw/zinc/52/60/69/700526069.db2.gz IXKJMJVUCDMXAV-HNNXBMFYSA-N 2 2 344.463 1.739 20 0 EDADLP C[C@H](CC(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1)n1cc[nH+]c1 ZINC000940358771 700540359 /nfs/dbraw/zinc/54/03/59/700540359.db2.gz ZWPCGHGVTGAVNB-CYBMUJFWSA-N 2 2 348.476 1.857 20 0 EDADLP CC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000940466797 700652703 /nfs/dbraw/zinc/65/27/03/700652703.db2.gz HAOJMNUUMFNXRP-GOSISDBHSA-N 2 2 349.519 1.868 20 0 EDADLP CC(C)c1noc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000940482750 700670761 /nfs/dbraw/zinc/67/07/61/700670761.db2.gz OSYDEBZQZGDXSW-UHFFFAOYSA-N 2 2 346.435 1.560 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)nc1 ZINC000940483579 700671270 /nfs/dbraw/zinc/67/12/70/700671270.db2.gz KDFDXNMMSFILOF-UHFFFAOYSA-N 2 2 328.420 1.152 20 0 EDADLP Cc1conc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625191 700786698 /nfs/dbraw/zinc/78/66/98/700786698.db2.gz PPTJIMICFOHQNI-JKSUJKDBSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625191 700786700 /nfs/dbraw/zinc/78/67/00/700786700.db2.gz PPTJIMICFOHQNI-JKSUJKDBSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625191 700786702 /nfs/dbraw/zinc/78/67/02/700786702.db2.gz PPTJIMICFOHQNI-JKSUJKDBSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625191 700786703 /nfs/dbraw/zinc/78/67/03/700786703.db2.gz PPTJIMICFOHQNI-JKSUJKDBSA-N 2 2 334.464 1.794 20 0 EDADLP Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842269 700938135 /nfs/dbraw/zinc/93/81/35/700938135.db2.gz BVNCLZTUVBRVMR-HOTGVXAUSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1nncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842269 700938137 /nfs/dbraw/zinc/93/81/37/700938137.db2.gz BVNCLZTUVBRVMR-HOTGVXAUSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1nncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842269 700938138 /nfs/dbraw/zinc/93/81/38/700938138.db2.gz BVNCLZTUVBRVMR-HOTGVXAUSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1nncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842269 700938140 /nfs/dbraw/zinc/93/81/40/700938140.db2.gz BVNCLZTUVBRVMR-HOTGVXAUSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)C2)o1 ZINC000940892771 700968029 /nfs/dbraw/zinc/96/80/29/700968029.db2.gz JXXSUAALPLDHHE-OAHLLOKOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)C2)o1 ZINC000940892771 700968030 /nfs/dbraw/zinc/96/80/30/700968030.db2.gz JXXSUAALPLDHHE-OAHLLOKOSA-N 2 2 345.447 1.905 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)sn1 ZINC000995112338 701011361 /nfs/dbraw/zinc/01/13/61/701011361.db2.gz CIGUYNKCPHPGPA-NWDGAFQWSA-N 2 2 349.460 1.492 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCF)CC2(C)C)C1 ZINC000940972651 701015107 /nfs/dbraw/zinc/01/51/07/701015107.db2.gz OTWAHODRTSKTAC-LSDHHAIUSA-N 2 2 329.460 1.282 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCF)CC2(C)C)C1 ZINC000940972651 701015110 /nfs/dbraw/zinc/01/51/10/701015110.db2.gz OTWAHODRTSKTAC-LSDHHAIUSA-N 2 2 329.460 1.282 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCF)CC2(C)C)C1 ZINC000940972651 701015111 /nfs/dbraw/zinc/01/51/11/701015111.db2.gz OTWAHODRTSKTAC-LSDHHAIUSA-N 2 2 329.460 1.282 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCF)CC2(C)C)C1 ZINC000940972651 701015113 /nfs/dbraw/zinc/01/51/13/701015113.db2.gz OTWAHODRTSKTAC-LSDHHAIUSA-N 2 2 329.460 1.282 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000995114361 701042620 /nfs/dbraw/zinc/04/26/20/701042620.db2.gz HUSDARAJFPUVJL-ZFWWWQNUSA-N 2 2 343.431 1.431 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCF)CC1(C)C)C2 ZINC000941031896 701073512 /nfs/dbraw/zinc/07/35/12/701073512.db2.gz CUOBZWBGWDCKJX-GDBMZVCRSA-N 2 2 336.455 1.940 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCF)CC1(C)C)C2 ZINC000941031896 701073516 /nfs/dbraw/zinc/07/35/16/701073516.db2.gz CUOBZWBGWDCKJX-GDBMZVCRSA-N 2 2 336.455 1.940 20 0 EDADLP CC[C@H](C(=O)N1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1)[NH+](C)C ZINC000941070225 701119016 /nfs/dbraw/zinc/11/90/16/701119016.db2.gz GIRZJRBXWJMDNM-JKSUJKDBSA-N 2 2 349.479 1.235 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cc1 ZINC000945808316 701199592 /nfs/dbraw/zinc/19/95/92/701199592.db2.gz OCDARAKYFYWOIW-QAPCUYQASA-N 2 2 342.443 1.919 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cc1 ZINC000945808316 701199595 /nfs/dbraw/zinc/19/95/95/701199595.db2.gz OCDARAKYFYWOIW-QAPCUYQASA-N 2 2 342.443 1.919 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccncc2Cl)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808685 701200033 /nfs/dbraw/zinc/20/00/33/701200033.db2.gz PHINVYSRFJHNBF-BBRMVZONSA-N 2 2 347.850 1.958 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccncc2Cl)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808685 701200035 /nfs/dbraw/zinc/20/00/35/701200035.db2.gz PHINVYSRFJHNBF-BBRMVZONSA-N 2 2 347.850 1.958 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(C)C)C1 ZINC000999167489 706594358 /nfs/dbraw/zinc/59/43/58/706594358.db2.gz FLRZXYDUJRWNFW-OFLPRAFFSA-N 2 2 325.497 1.722 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CC([NH2+]CC(C)C)C1 ZINC000999167489 706594361 /nfs/dbraw/zinc/59/43/61/706594361.db2.gz FLRZXYDUJRWNFW-OFLPRAFFSA-N 2 2 325.497 1.722 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C1CC([NH2+]CCC2CC2)C1 ZINC000999168846 706597171 /nfs/dbraw/zinc/59/71/71/706597171.db2.gz KIBKFLALTZCKLQ-ACBHZAAOSA-N 2 2 349.519 1.866 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C1CC([NH2+]CCC2CC2)C1 ZINC000999168846 706597174 /nfs/dbraw/zinc/59/71/74/706597174.db2.gz KIBKFLALTZCKLQ-ACBHZAAOSA-N 2 2 349.519 1.866 20 0 EDADLP CC1(C)C[N@H+](Cc2ncccn2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220273 701410542 /nfs/dbraw/zinc/41/05/42/701410542.db2.gz BHSLXJBAEJKEEB-OAHLLOKOSA-N 2 2 331.464 1.289 20 0 EDADLP CC1(C)C[N@@H+](Cc2ncccn2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220273 701410544 /nfs/dbraw/zinc/41/05/44/701410544.db2.gz BHSLXJBAEJKEEB-OAHLLOKOSA-N 2 2 331.464 1.289 20 0 EDADLP C[C@@H]1C[N@H+](CC2CCOCC2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944156953 702453206 /nfs/dbraw/zinc/45/32/06/702453206.db2.gz XFGSIBYXNUJKQC-RHSMWYFYSA-N 2 2 334.464 1.216 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944156953 702453208 /nfs/dbraw/zinc/45/32/08/702453208.db2.gz XFGSIBYXNUJKQC-RHSMWYFYSA-N 2 2 334.464 1.216 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2CC[NH+](C)CC2)c1 ZINC001032665774 706678066 /nfs/dbraw/zinc/67/80/66/706678066.db2.gz FQKYAIQUZQLNKP-OALUTQOASA-N 2 2 342.487 1.907 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2CC[NH+](C)CC2)c1 ZINC001032665774 706678067 /nfs/dbraw/zinc/67/80/67/706678067.db2.gz FQKYAIQUZQLNKP-OALUTQOASA-N 2 2 342.487 1.907 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]C[C@H]2CCCCO2)C(C)(C)C1 ZINC000996089327 702498836 /nfs/dbraw/zinc/49/88/36/702498836.db2.gz ZQFIZWWWYAAZNB-CVEARBPZSA-N 2 2 348.491 1.748 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996299972 702691212 /nfs/dbraw/zinc/69/12/12/702691212.db2.gz HWCRPUQHRHEUER-KGLIPLIRSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996299972 702691215 /nfs/dbraw/zinc/69/12/15/702691215.db2.gz HWCRPUQHRHEUER-KGLIPLIRSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000996353690 702731814 /nfs/dbraw/zinc/73/18/14/702731814.db2.gz CHCJMCDUPONFCO-CJNGLKHVSA-N 2 2 342.447 1.638 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)n1 ZINC000996354892 702732487 /nfs/dbraw/zinc/73/24/87/702732487.db2.gz IWWUQKNOBIVUSR-INIZCTEOSA-N 2 2 344.463 1.756 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)sn1 ZINC000996458711 702803215 /nfs/dbraw/zinc/80/32/15/702803215.db2.gz WLPOLIJMSOHFAX-CYBMUJFWSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996560669 702879018 /nfs/dbraw/zinc/87/90/18/702879018.db2.gz CZYQDKKVUZUXEV-HNNXBMFYSA-N 2 2 330.436 1.021 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC000996569520 702881297 /nfs/dbraw/zinc/88/12/97/702881297.db2.gz RSNRDGZJFKSQJN-SJORKVTESA-N 2 2 348.491 1.748 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)[nH]1 ZINC000996608601 702911952 /nfs/dbraw/zinc/91/19/52/702911952.db2.gz DDRSASJURKFPNU-JSGCOSHPSA-N 2 2 334.468 1.097 20 0 EDADLP Cc1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000995251239 702976336 /nfs/dbraw/zinc/97/63/36/702976336.db2.gz PVAAEIDQWAFHKG-CHWSQXEVSA-N 2 2 334.449 1.118 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC000995255187 703008822 /nfs/dbraw/zinc/00/88/22/703008822.db2.gz WERSXBBLZWVXMU-HOCLYGCPSA-N 2 2 343.431 1.361 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)o1 ZINC000942519137 703020545 /nfs/dbraw/zinc/02/05/45/703020545.db2.gz ZBIZTJJZYBRWGD-WFASDCNBSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)o1 ZINC000942519137 703020547 /nfs/dbraw/zinc/02/05/47/703020547.db2.gz ZBIZTJJZYBRWGD-WFASDCNBSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000942518827 703020913 /nfs/dbraw/zinc/02/09/13/703020913.db2.gz XSDXBEYEYMUIRT-CXAGYDPISA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000942518827 703020916 /nfs/dbraw/zinc/02/09/16/703020916.db2.gz XSDXBEYEYMUIRT-CXAGYDPISA-N 2 2 342.447 1.317 20 0 EDADLP Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCOCC2)c1 ZINC001032684289 706715514 /nfs/dbraw/zinc/71/55/14/706715514.db2.gz JOYGRDAMOYAZIB-OALUTQOASA-N 2 2 343.471 1.502 20 0 EDADLP Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCOCC2)c1 ZINC001032684289 706715517 /nfs/dbraw/zinc/71/55/17/706715517.db2.gz JOYGRDAMOYAZIB-OALUTQOASA-N 2 2 343.471 1.502 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCCCC2)C1 ZINC001032331924 703113348 /nfs/dbraw/zinc/11/33/48/703113348.db2.gz MUHYKQUEPXDHQH-FHWLQOOXSA-N 2 2 349.519 1.963 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCCCC2)C1 ZINC001032331924 703113354 /nfs/dbraw/zinc/11/33/54/703113354.db2.gz MUHYKQUEPXDHQH-FHWLQOOXSA-N 2 2 349.519 1.963 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCCCC2)C1 ZINC001032331924 703113355 /nfs/dbraw/zinc/11/33/55/703113355.db2.gz MUHYKQUEPXDHQH-FHWLQOOXSA-N 2 2 349.519 1.963 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996855913 703133974 /nfs/dbraw/zinc/13/39/74/703133974.db2.gz JTINXMZLJIHZPM-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996855913 703133977 /nfs/dbraw/zinc/13/39/77/703133977.db2.gz JTINXMZLJIHZPM-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)on1 ZINC000996858290 703142314 /nfs/dbraw/zinc/14/23/14/703142314.db2.gz GCNRRDWHIDJGJL-UHFFFAOYSA-N 2 2 333.392 1.051 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)s1 ZINC000996858438 703142683 /nfs/dbraw/zinc/14/26/83/703142683.db2.gz IRRRMZREFBGNBD-GFCCVEGCSA-N 2 2 348.476 1.775 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC000996859281 703143059 /nfs/dbraw/zinc/14/30/59/703143059.db2.gz KDXGSLXTEXLDOJ-UHFFFAOYSA-N 2 2 343.431 1.919 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)on1 ZINC001032042961 703210882 /nfs/dbraw/zinc/21/08/82/703210882.db2.gz PTZOKVLIRQLWQN-GOEBONIOSA-N 2 2 348.447 1.248 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)on1 ZINC001032042961 703210885 /nfs/dbraw/zinc/21/08/85/703210885.db2.gz PTZOKVLIRQLWQN-GOEBONIOSA-N 2 2 348.447 1.248 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)s1 ZINC000997044516 703293467 /nfs/dbraw/zinc/29/34/67/703293467.db2.gz HGQUIIINQYCGAW-LBPRGKRZSA-N 2 2 348.476 1.775 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)o1 ZINC000997047730 703296515 /nfs/dbraw/zinc/29/65/15/703296515.db2.gz BNVXUQCKNFHALH-OLZOCXBDSA-N 2 2 346.435 1.867 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]CCc2ccnn2C)CC1)n1cc[nH+]c1 ZINC000997043742 703296526 /nfs/dbraw/zinc/29/65/26/703296526.db2.gz AGZATPGRHAUXRO-OAHLLOKOSA-N 2 2 344.463 1.391 20 0 EDADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(F)(F)F)CC1 ZINC001032700309 706737824 /nfs/dbraw/zinc/73/78/24/706737824.db2.gz KMLAUXQHKQGYIG-KBPBESRZSA-N 2 2 333.398 1.956 20 0 EDADLP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(F)(F)F)CC1 ZINC001032700309 706737825 /nfs/dbraw/zinc/73/78/25/706737825.db2.gz KMLAUXQHKQGYIG-KBPBESRZSA-N 2 2 333.398 1.956 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)sc1C ZINC000997118187 703372613 /nfs/dbraw/zinc/37/26/13/703372613.db2.gz HPPASMDLCAFXTA-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997119870 703379064 /nfs/dbraw/zinc/37/90/64/703379064.db2.gz KXXXGSONEONWNN-PBHICJAKSA-N 2 2 349.479 1.661 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997119870 703379066 /nfs/dbraw/zinc/37/90/66/703379066.db2.gz KXXXGSONEONWNN-PBHICJAKSA-N 2 2 349.479 1.661 20 0 EDADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cc1 ZINC001032408317 703434716 /nfs/dbraw/zinc/43/47/16/703434716.db2.gz XBKUYCZUHWNAFA-GBESFXJTSA-N 2 2 343.446 1.953 20 0 EDADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cc1 ZINC001032408317 703434718 /nfs/dbraw/zinc/43/47/18/703434718.db2.gz XBKUYCZUHWNAFA-GBESFXJTSA-N 2 2 343.446 1.953 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cncc(C)c2)CC[N@@H+]1C ZINC001032412067 703459588 /nfs/dbraw/zinc/45/95/88/703459588.db2.gz GYCNZHMEEGIKKN-CADBVGFASA-N 2 2 342.487 1.905 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cncc(C)c2)CC[N@H+]1C ZINC001032412067 703459590 /nfs/dbraw/zinc/45/95/90/703459590.db2.gz GYCNZHMEEGIKKN-CADBVGFASA-N 2 2 342.487 1.905 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cncc(C)c2)CC[NH+]1C ZINC001032412067 703459592 /nfs/dbraw/zinc/45/95/92/703459592.db2.gz GYCNZHMEEGIKKN-CADBVGFASA-N 2 2 342.487 1.905 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cncc(C)c2)CC[NH+]1C ZINC001032412067 703459594 /nfs/dbraw/zinc/45/95/94/703459594.db2.gz GYCNZHMEEGIKKN-CADBVGFASA-N 2 2 342.487 1.905 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1)c1cnccn1 ZINC000997182358 703467615 /nfs/dbraw/zinc/46/76/15/703467615.db2.gz JQOVJFIZNYIIJD-ZDUSSCGKSA-N 2 2 342.447 1.819 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2ncc(C)cn2)CC1 ZINC000997221048 703499353 /nfs/dbraw/zinc/49/93/53/703499353.db2.gz JMQVRFSYUKAEQH-UHFFFAOYSA-N 2 2 328.420 1.140 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000997308536 703566501 /nfs/dbraw/zinc/56/65/01/703566501.db2.gz FLUIMJYIKWMZOA-LLVKDONJSA-N 2 2 332.408 1.225 20 0 EDADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1CCC([NH2+]CCC2CC2)CC1 ZINC000997346667 703575904 /nfs/dbraw/zinc/57/59/04/703575904.db2.gz WCXWQCJXYDIFNJ-SFHVURJKSA-N 2 2 335.492 1.478 20 0 EDADLP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1 ZINC001032447721 703616623 /nfs/dbraw/zinc/61/66/23/703616623.db2.gz VOIVRAOWWBQWBX-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1 ZINC001032447721 703616625 /nfs/dbraw/zinc/61/66/25/703616625.db2.gz VOIVRAOWWBQWBX-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032447721 703616627 /nfs/dbraw/zinc/61/66/27/703616627.db2.gz VOIVRAOWWBQWBX-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032447721 703616629 /nfs/dbraw/zinc/61/66/29/703616629.db2.gz VOIVRAOWWBQWBX-ROUUACIJSA-N 2 2 328.460 1.659 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921608826 703649919 /nfs/dbraw/zinc/64/99/19/703649919.db2.gz JLJBKTREJIFWGL-UHFFFAOYSA-N 2 2 340.427 1.738 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cscn2)CC1 ZINC000997516644 703766189 /nfs/dbraw/zinc/76/61/89/703766189.db2.gz SOHCXKQLSXVJCA-XJKSGUPXSA-N 2 2 336.505 1.954 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cscn2)CC1 ZINC000997516644 703766191 /nfs/dbraw/zinc/76/61/91/703766191.db2.gz SOHCXKQLSXVJCA-XJKSGUPXSA-N 2 2 336.505 1.954 20 0 EDADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997529461 703782406 /nfs/dbraw/zinc/78/24/06/703782406.db2.gz CEQDJEWRQWELKM-MAUKXSAKSA-N 2 2 346.475 1.129 20 0 EDADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997529461 703782407 /nfs/dbraw/zinc/78/24/07/703782407.db2.gz CEQDJEWRQWELKM-MAUKXSAKSA-N 2 2 346.475 1.129 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997596229 703885213 /nfs/dbraw/zinc/88/52/13/703885213.db2.gz LGWYBAPZLMFSPE-WOSRLPQWSA-N 2 2 348.495 1.170 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997596229 703885216 /nfs/dbraw/zinc/88/52/16/703885216.db2.gz LGWYBAPZLMFSPE-WOSRLPQWSA-N 2 2 348.495 1.170 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997643078 703951093 /nfs/dbraw/zinc/95/10/93/703951093.db2.gz YSIONEPZHXYHGD-RDJZCZTQSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC000997643078 703951096 /nfs/dbraw/zinc/95/10/96/703951096.db2.gz YSIONEPZHXYHGD-RDJZCZTQSA-N 2 2 345.491 1.678 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3ccccn3)C3CC3)cn2)CC1 ZINC000922587157 704084510 /nfs/dbraw/zinc/08/45/10/704084510.db2.gz XIOWEOFIVZJLAG-GOSISDBHSA-N 2 2 338.459 1.864 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033077443 704128079 /nfs/dbraw/zinc/12/80/79/704128079.db2.gz RJXCBTQWNOAZMQ-INIZCTEOSA-N 2 2 347.507 1.717 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033077443 704128080 /nfs/dbraw/zinc/12/80/80/704128080.db2.gz RJXCBTQWNOAZMQ-INIZCTEOSA-N 2 2 347.507 1.717 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001033084201 704153604 /nfs/dbraw/zinc/15/36/04/704153604.db2.gz XOYWLWUEQFGTCD-ZWKOTPCHSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001033084201 704153606 /nfs/dbraw/zinc/15/36/06/704153606.db2.gz XOYWLWUEQFGTCD-ZWKOTPCHSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001033084201 704153609 /nfs/dbraw/zinc/15/36/09/704153609.db2.gz XOYWLWUEQFGTCD-ZWKOTPCHSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001033084201 704153611 /nfs/dbraw/zinc/15/36/11/704153611.db2.gz XOYWLWUEQFGTCD-ZWKOTPCHSA-N 2 2 345.491 1.691 20 0 EDADLP CO[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCS(=O)(=O)C1 ZINC000922619672 704155152 /nfs/dbraw/zinc/15/51/52/704155152.db2.gz SPRMAKWRYDJFHW-CQSZACIVSA-N 2 2 341.458 1.227 20 0 EDADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033097176 704188837 /nfs/dbraw/zinc/18/88/37/704188837.db2.gz PXBZMYUMOQYROX-NVXWUHKLSA-N 2 2 346.475 1.331 20 0 EDADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033097176 704188841 /nfs/dbraw/zinc/18/88/41/704188841.db2.gz PXBZMYUMOQYROX-NVXWUHKLSA-N 2 2 346.475 1.331 20 0 EDADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032540433 704600051 /nfs/dbraw/zinc/60/00/51/704600051.db2.gz FSIBDFFEOKEIHF-YESZJQIVSA-N 2 2 339.455 1.132 20 0 EDADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032540433 704600052 /nfs/dbraw/zinc/60/00/52/704600052.db2.gz FSIBDFFEOKEIHF-YESZJQIVSA-N 2 2 339.455 1.132 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032540433 704600054 /nfs/dbraw/zinc/60/00/54/704600054.db2.gz FSIBDFFEOKEIHF-YESZJQIVSA-N 2 2 339.455 1.132 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032540433 704600056 /nfs/dbraw/zinc/60/00/56/704600056.db2.gz FSIBDFFEOKEIHF-YESZJQIVSA-N 2 2 339.455 1.132 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1 ZINC001032550213 704686228 /nfs/dbraw/zinc/68/62/28/704686228.db2.gz IAVINGDXNPIOKL-ULQDDVLXSA-N 2 2 332.448 1.375 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1 ZINC001032550213 704686229 /nfs/dbraw/zinc/68/62/29/704686229.db2.gz IAVINGDXNPIOKL-ULQDDVLXSA-N 2 2 332.448 1.375 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997872347 704778169 /nfs/dbraw/zinc/77/81/69/704778169.db2.gz KLMCKVBELDLCDH-OAHLLOKOSA-N 2 2 343.431 1.462 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997873074 704778285 /nfs/dbraw/zinc/77/82/85/704778285.db2.gz MJTAWTBHZPCZOA-SJORKVTESA-N 2 2 346.475 1.310 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)nc1 ZINC000997953356 705081879 /nfs/dbraw/zinc/08/18/79/705081879.db2.gz VKFNIAPPCAGJTE-UHFFFAOYSA-N 2 2 342.447 1.400 20 0 EDADLP Cc1ncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)s1 ZINC001032586978 705106584 /nfs/dbraw/zinc/10/65/84/705106584.db2.gz JAUNPYPNTPTSPS-TUUVXOQKSA-N 2 2 348.516 1.967 20 0 EDADLP Cc1ncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC001032586978 705106586 /nfs/dbraw/zinc/10/65/86/705106586.db2.gz JAUNPYPNTPTSPS-TUUVXOQKSA-N 2 2 348.516 1.967 20 0 EDADLP Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC001032586978 705106587 /nfs/dbraw/zinc/10/65/87/705106587.db2.gz JAUNPYPNTPTSPS-TUUVXOQKSA-N 2 2 348.516 1.967 20 0 EDADLP Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)s1 ZINC001032586978 705106589 /nfs/dbraw/zinc/10/65/89/705106589.db2.gz JAUNPYPNTPTSPS-TUUVXOQKSA-N 2 2 348.516 1.967 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)C1 ZINC001032587720 705114776 /nfs/dbraw/zinc/11/47/76/705114776.db2.gz QWIJIIASODVGHI-GBESFXJTSA-N 2 2 343.471 1.581 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)C1 ZINC001032587720 705114779 /nfs/dbraw/zinc/11/47/79/705114779.db2.gz QWIJIIASODVGHI-GBESFXJTSA-N 2 2 343.471 1.581 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)C1 ZINC001032587720 705114781 /nfs/dbraw/zinc/11/47/81/705114781.db2.gz QWIJIIASODVGHI-GBESFXJTSA-N 2 2 343.471 1.581 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)C1 ZINC001032587720 705114785 /nfs/dbraw/zinc/11/47/85/705114785.db2.gz QWIJIIASODVGHI-GBESFXJTSA-N 2 2 343.471 1.581 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC000998295219 705696751 /nfs/dbraw/zinc/69/67/51/705696751.db2.gz LNOWPXDSVVQWSM-STQMWFEESA-N 2 2 330.354 1.731 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)cs1 ZINC000998297954 705701170 /nfs/dbraw/zinc/70/11/70/705701170.db2.gz RGYOHYLGBPQCDR-UHFFFAOYSA-N 2 2 333.461 1.676 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC000998303130 705714155 /nfs/dbraw/zinc/71/41/55/705714155.db2.gz KTSRAKOLPFOSJF-KBPBESRZSA-N 2 2 344.381 1.742 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032627536 705731020 /nfs/dbraw/zinc/73/10/20/705731020.db2.gz ZOXHWHNJRISNBY-KBMXLJTQSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032627536 705731022 /nfs/dbraw/zinc/73/10/22/705731022.db2.gz ZOXHWHNJRISNBY-KBMXLJTQSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001032627536 705731024 /nfs/dbraw/zinc/73/10/24/705731024.db2.gz ZOXHWHNJRISNBY-KBMXLJTQSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001032627536 705731025 /nfs/dbraw/zinc/73/10/25/705731025.db2.gz ZOXHWHNJRISNBY-KBMXLJTQSA-N 2 2 346.475 1.815 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC000998315513 705734529 /nfs/dbraw/zinc/73/45/29/705734529.db2.gz OSQIVVJFTMBTLP-VXGBXAGGSA-N 2 2 336.333 1.530 20 0 EDADLP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000998994873 706412160 /nfs/dbraw/zinc/41/21/60/706412160.db2.gz LSULFFSKENBWCL-NRXISQOPSA-N 2 2 349.479 1.756 20 0 EDADLP CC(C)c1noc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000998994873 706412164 /nfs/dbraw/zinc/41/21/64/706412164.db2.gz LSULFFSKENBWCL-NRXISQOPSA-N 2 2 349.479 1.756 20 0 EDADLP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC000999123608 706548200 /nfs/dbraw/zinc/54/82/00/706548200.db2.gz PJLIDIHMUJCKCO-UHFFFAOYSA-N 2 2 340.387 1.419 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999314155 706817654 /nfs/dbraw/zinc/81/76/54/706817654.db2.gz CRRWJKMQSYIIQU-AWEZNQCLSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999314155 706817658 /nfs/dbraw/zinc/81/76/58/706817658.db2.gz CRRWJKMQSYIIQU-AWEZNQCLSA-N 2 2 333.461 1.888 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC000999364315 706878017 /nfs/dbraw/zinc/87/80/17/706878017.db2.gz LOSNWDQFFVIYIF-AWEZNQCLSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC000999364315 706878021 /nfs/dbraw/zinc/87/80/21/706878021.db2.gz LOSNWDQFFVIYIF-AWEZNQCLSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)[nH]1 ZINC000999371894 706885946 /nfs/dbraw/zinc/88/59/46/706885946.db2.gz NHRWKWKKCOEEQP-ZBFHGGJFSA-N 2 2 348.495 1.349 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]CC3CCOCC3)C2)c[nH+]1 ZINC000999466721 706975062 /nfs/dbraw/zinc/97/50/62/706975062.db2.gz OGECIFCUUHITFZ-QGZVFWFLSA-N 2 2 348.491 1.934 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1)[NH+](C)C ZINC000999490602 707026825 /nfs/dbraw/zinc/02/68/25/707026825.db2.gz RFNHMHTYKSAMKJ-UONOGXRCSA-N 2 2 334.468 1.103 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)on1 ZINC000999535779 707036288 /nfs/dbraw/zinc/03/62/88/707036288.db2.gz MDZSLPNUQBQQAC-LSDHHAIUSA-N 2 2 343.431 1.523 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999604962 707069657 /nfs/dbraw/zinc/06/96/57/707069657.db2.gz BAYJMJSINXHKBW-UHFFFAOYSA-N 2 2 329.404 1.597 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000999698069 707224165 /nfs/dbraw/zinc/22/41/65/707224165.db2.gz CTSDMSMUYBCFEF-UHFFFAOYSA-N 2 2 346.460 1.392 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)co1 ZINC001033182005 707331618 /nfs/dbraw/zinc/33/16/18/707331618.db2.gz MAPBMYSJVMYODY-KRWDZBQOSA-N 2 2 346.475 1.892 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)co1 ZINC001033182005 707331624 /nfs/dbraw/zinc/33/16/24/707331624.db2.gz MAPBMYSJVMYODY-KRWDZBQOSA-N 2 2 346.475 1.892 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1)c1cnccn1 ZINC000999773126 707331932 /nfs/dbraw/zinc/33/19/32/707331932.db2.gz BWGGTNNOBHRPGX-CABCVRRESA-N 2 2 342.447 1.485 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000999774257 707333451 /nfs/dbraw/zinc/33/34/51/707333451.db2.gz FPIICZHZPOVCSB-MRXNPFEDSA-N 2 2 327.432 1.529 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC000999754095 707355829 /nfs/dbraw/zinc/35/58/29/707355829.db2.gz PYJZTQYBJALESD-YMAMQOFZSA-N 2 2 334.464 1.655 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)nn1 ZINC001033197198 707415760 /nfs/dbraw/zinc/41/57/60/707415760.db2.gz HHSJNZVZELRIQL-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)nn1 ZINC001033197198 707415762 /nfs/dbraw/zinc/41/57/62/707415762.db2.gz HHSJNZVZELRIQL-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001033197198 707415766 /nfs/dbraw/zinc/41/57/66/707415766.db2.gz HHSJNZVZELRIQL-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001033197198 707415770 /nfs/dbraw/zinc/41/57/70/707415770.db2.gz HHSJNZVZELRIQL-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)n1 ZINC001033198437 707461341 /nfs/dbraw/zinc/46/13/41/707461341.db2.gz LMJFKUXMAYWHSJ-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)n1 ZINC001033198437 707461347 /nfs/dbraw/zinc/46/13/47/707461347.db2.gz LMJFKUXMAYWHSJ-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001033198437 707461352 /nfs/dbraw/zinc/46/13/52/707461352.db2.gz LMJFKUXMAYWHSJ-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001033198437 707461355 /nfs/dbraw/zinc/46/13/55/707461355.db2.gz LMJFKUXMAYWHSJ-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999836531 707472423 /nfs/dbraw/zinc/47/24/23/707472423.db2.gz MDKTTXNMSCFXAZ-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999870825 707513626 /nfs/dbraw/zinc/51/36/26/707513626.db2.gz HWVXXMJLLNANOQ-AWEZNQCLSA-N 2 2 335.452 1.333 20 0 EDADLP CC(C)(C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1)[NH+]1CCCC1 ZINC000999871422 707514998 /nfs/dbraw/zinc/51/49/98/707514998.db2.gz KRIYSVDXWUBPHV-ZDUSSCGKSA-N 2 2 337.493 1.493 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001004876247 707542876 /nfs/dbraw/zinc/54/28/76/707542876.db2.gz HTCQIYKEGYYDHO-XJKSGUPXSA-N 2 2 348.495 1.457 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001004876247 707542879 /nfs/dbraw/zinc/54/28/79/707542879.db2.gz HTCQIYKEGYYDHO-XJKSGUPXSA-N 2 2 348.495 1.457 20 0 EDADLP C[C@H]([NH2+]Cc1cnns1)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004918132 707621500 /nfs/dbraw/zinc/62/15/00/707621500.db2.gz ITDYUSSBQBHFBB-ZFWWWQNUSA-N 2 2 348.476 1.684 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033366507 707662590 /nfs/dbraw/zinc/66/25/90/707662590.db2.gz RPEALCMOWCVMRI-INIZCTEOSA-N 2 2 345.447 1.421 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033366507 707662593 /nfs/dbraw/zinc/66/25/93/707662593.db2.gz RPEALCMOWCVMRI-INIZCTEOSA-N 2 2 345.447 1.421 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033211712 707693969 /nfs/dbraw/zinc/69/39/69/707693969.db2.gz LSFKCKSRQZELBP-RHSMWYFYSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033211712 707693971 /nfs/dbraw/zinc/69/39/71/707693971.db2.gz LSFKCKSRQZELBP-RHSMWYFYSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1csc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001033414529 707787938 /nfs/dbraw/zinc/78/79/38/707787938.db2.gz CMCWAHUJRCFFAX-CABCVRRESA-N 2 2 336.505 1.969 20 0 EDADLP Cc1csc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001033414529 707787941 /nfs/dbraw/zinc/78/79/41/707787941.db2.gz CMCWAHUJRCFFAX-CABCVRRESA-N 2 2 336.505 1.969 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033414529 707787948 /nfs/dbraw/zinc/78/79/48/707787948.db2.gz CMCWAHUJRCFFAX-CABCVRRESA-N 2 2 336.505 1.969 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033414529 707787949 /nfs/dbraw/zinc/78/79/49/707787949.db2.gz CMCWAHUJRCFFAX-CABCVRRESA-N 2 2 336.505 1.969 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1C ZINC001033416196 707794617 /nfs/dbraw/zinc/79/46/17/707794617.db2.gz OQDXKWHSWVORNZ-WMLDXEAASA-N 2 2 333.480 1.246 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1C ZINC001033416196 707794622 /nfs/dbraw/zinc/79/46/22/707794622.db2.gz OQDXKWHSWVORNZ-WMLDXEAASA-N 2 2 333.480 1.246 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)nn1C ZINC001033416196 707794628 /nfs/dbraw/zinc/79/46/28/707794628.db2.gz OQDXKWHSWVORNZ-WMLDXEAASA-N 2 2 333.480 1.246 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)nn1C ZINC001033416196 707794629 /nfs/dbraw/zinc/79/46/29/707794629.db2.gz OQDXKWHSWVORNZ-WMLDXEAASA-N 2 2 333.480 1.246 20 0 EDADLP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004972739 707799407 /nfs/dbraw/zinc/79/94/07/707799407.db2.gz AJLPDJFZVFMHIW-PBHICJAKSA-N 2 2 344.463 1.256 20 0 EDADLP C[C@H]([NH2+]Cc1cccnc1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004977846 707814319 /nfs/dbraw/zinc/81/43/19/707814319.db2.gz RRUAWJIPPBSXCE-YJBOKZPZSA-N 2 2 341.459 1.917 20 0 EDADLP C[C@@H](CC(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1)n1cc[nH+]c1 ZINC000946766170 707828115 /nfs/dbraw/zinc/82/81/15/707828115.db2.gz KYCXVQPZALJDJW-GOEBONIOSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@@H](CC(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1)n1cc[nH+]c1 ZINC000946766170 707828119 /nfs/dbraw/zinc/82/81/19/707828119.db2.gz KYCXVQPZALJDJW-GOEBONIOSA-N 2 2 347.463 1.036 20 0 EDADLP Cc1nc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)sc1Br ZINC000921703972 707851789 /nfs/dbraw/zinc/85/17/89/707851789.db2.gz FRBIDQWKSWRNPD-SNVBAGLBSA-N 2 2 347.326 1.940 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001061605083 707862972 /nfs/dbraw/zinc/86/29/72/707862972.db2.gz WAEGCEHXTHVSFX-JKSUJKDBSA-N 2 2 331.464 1.296 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001061605083 707862975 /nfs/dbraw/zinc/86/29/75/707862975.db2.gz WAEGCEHXTHVSFX-JKSUJKDBSA-N 2 2 331.464 1.296 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cnns1 ZINC001004999144 707868217 /nfs/dbraw/zinc/86/82/17/707868217.db2.gz XCWNUSOTZMTLDP-WFASDCNBSA-N 2 2 348.476 1.672 20 0 EDADLP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033229811 707885909 /nfs/dbraw/zinc/88/59/09/707885909.db2.gz FCPOYOXGAUJOKT-MRXNPFEDSA-N 2 2 338.415 1.414 20 0 EDADLP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033229811 707885913 /nfs/dbraw/zinc/88/59/13/707885913.db2.gz FCPOYOXGAUJOKT-MRXNPFEDSA-N 2 2 338.415 1.414 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cs1 ZINC001033452430 707895531 /nfs/dbraw/zinc/89/55/31/707895531.db2.gz KWKVAONEZJDTOS-OAHLLOKOSA-N 2 2 333.461 1.493 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cs1 ZINC001033452430 707895535 /nfs/dbraw/zinc/89/55/35/707895535.db2.gz KWKVAONEZJDTOS-OAHLLOKOSA-N 2 2 333.461 1.493 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001033455557 707936426 /nfs/dbraw/zinc/93/64/26/707936426.db2.gz LAQURTLMRSCNJX-CQSZACIVSA-N 2 2 336.827 1.035 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001033455557 707936428 /nfs/dbraw/zinc/93/64/28/707936428.db2.gz LAQURTLMRSCNJX-CQSZACIVSA-N 2 2 336.827 1.035 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)cc[nH+]1 ZINC001061663811 708113313 /nfs/dbraw/zinc/11/33/13/708113313.db2.gz LVOQQVYUJNZWHH-SJORKVTESA-N 2 2 345.491 1.705 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)cc[nH+]1 ZINC001061663811 708113315 /nfs/dbraw/zinc/11/33/15/708113315.db2.gz LVOQQVYUJNZWHH-SJORKVTESA-N 2 2 345.491 1.705 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2ncccc2c1 ZINC001032815418 708155397 /nfs/dbraw/zinc/15/53/97/708155397.db2.gz XOOCHMHTWVNEOI-ROUUACIJSA-N 2 2 347.422 1.917 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2ncccc2c1 ZINC001032815418 708155398 /nfs/dbraw/zinc/15/53/98/708155398.db2.gz XOOCHMHTWVNEOI-ROUUACIJSA-N 2 2 347.422 1.917 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)CC[N@@H+]1C ZINC001061014140 708174942 /nfs/dbraw/zinc/17/49/42/708174942.db2.gz HNVBQISXEONOLZ-HRCADAONSA-N 2 2 331.464 1.776 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNc3cc[nH+]c(C)n3)C2)CC[N@H+]1C ZINC001061014140 708174944 /nfs/dbraw/zinc/17/49/44/708174944.db2.gz HNVBQISXEONOLZ-HRCADAONSA-N 2 2 331.464 1.776 20 0 EDADLP Cc1cc(NC[C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc(C)[nH+]1 ZINC001061021697 708245865 /nfs/dbraw/zinc/24/58/65/708245865.db2.gz LCOSHAHUWLDKJC-FVQBIDKESA-N 2 2 347.463 1.073 20 0 EDADLP Cc1cc(NC[C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc(C)[nH+]1 ZINC001061021697 708245867 /nfs/dbraw/zinc/24/58/67/708245867.db2.gz LCOSHAHUWLDKJC-FVQBIDKESA-N 2 2 347.463 1.073 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)nn1C ZINC001033581019 708262539 /nfs/dbraw/zinc/26/25/39/708262539.db2.gz HWPADZLXSWEPKW-RDJZCZTQSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)nn1C ZINC001033581019 708262543 /nfs/dbraw/zinc/26/25/43/708262543.db2.gz HWPADZLXSWEPKW-RDJZCZTQSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1C ZINC001033581019 708262546 /nfs/dbraw/zinc/26/25/46/708262546.db2.gz HWPADZLXSWEPKW-RDJZCZTQSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1C ZINC001033581019 708262549 /nfs/dbraw/zinc/26/25/49/708262549.db2.gz HWPADZLXSWEPKW-RDJZCZTQSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC001033656493 708425727 /nfs/dbraw/zinc/42/57/27/708425727.db2.gz AYHKMCCSDCUVFZ-HOTGVXAUSA-N 2 2 331.464 1.475 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC001033656493 708425729 /nfs/dbraw/zinc/42/57/29/708425729.db2.gz AYHKMCCSDCUVFZ-HOTGVXAUSA-N 2 2 331.464 1.475 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ncccc3C)C2)C1 ZINC001033677805 708486544 /nfs/dbraw/zinc/48/65/44/708486544.db2.gz BYLABAKSZLQWQP-AEFFLSMTSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ncccc3C)C2)C1 ZINC001033677805 708486547 /nfs/dbraw/zinc/48/65/47/708486547.db2.gz BYLABAKSZLQWQP-AEFFLSMTSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncccc3C)C2)C1 ZINC001033677805 708486551 /nfs/dbraw/zinc/48/65/51/708486551.db2.gz BYLABAKSZLQWQP-AEFFLSMTSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncccc3C)C2)C1 ZINC001033677805 708486554 /nfs/dbraw/zinc/48/65/54/708486554.db2.gz BYLABAKSZLQWQP-AEFFLSMTSA-N 2 2 346.475 1.143 20 0 EDADLP O=C(NCC1CC[NH+](CCCO)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC001001995562 708510502 /nfs/dbraw/zinc/51/05/02/708510502.db2.gz VENOTQIKBSITTG-UHFFFAOYSA-N 2 2 343.431 1.092 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1F ZINC001033707947 708540290 /nfs/dbraw/zinc/54/02/90/708540290.db2.gz VIVDDCNOCDDYJS-OAHLLOKOSA-N 2 2 346.406 1.764 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1F ZINC001033707947 708540293 /nfs/dbraw/zinc/54/02/93/708540293.db2.gz VIVDDCNOCDDYJS-OAHLLOKOSA-N 2 2 346.406 1.764 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001033777313 708704983 /nfs/dbraw/zinc/70/49/83/708704983.db2.gz UUVYLVBYLOVYEB-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccnc(OC)n2)C1 ZINC001033777313 708704986 /nfs/dbraw/zinc/70/49/86/708704986.db2.gz UUVYLVBYLOVYEB-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccnc(OC)n2)C1 ZINC001033777313 708704988 /nfs/dbraw/zinc/70/49/88/708704988.db2.gz UUVYLVBYLOVYEB-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccnc(OC)n2)C1 ZINC001033777313 708704990 /nfs/dbraw/zinc/70/49/90/708704990.db2.gz UUVYLVBYLOVYEB-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c(C)n1 ZINC001002524257 709079165 /nfs/dbraw/zinc/07/91/65/709079165.db2.gz RSVWCILTCXGWMZ-GOSISDBHSA-N 2 2 346.475 1.110 20 0 EDADLP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c(C)n1 ZINC001002524257 709079167 /nfs/dbraw/zinc/07/91/67/709079167.db2.gz RSVWCILTCXGWMZ-GOSISDBHSA-N 2 2 346.475 1.110 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000921962188 709257559 /nfs/dbraw/zinc/25/75/59/709257559.db2.gz ZTXIWLAMIRAXHF-MRXNPFEDSA-N 2 2 325.416 1.875 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000921962188 709257561 /nfs/dbraw/zinc/25/75/61/709257561.db2.gz ZTXIWLAMIRAXHF-MRXNPFEDSA-N 2 2 325.416 1.875 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001034039563 709272525 /nfs/dbraw/zinc/27/25/25/709272525.db2.gz KGYOQBFXITYMIE-RDJZCZTQSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001034039563 709272528 /nfs/dbraw/zinc/27/25/28/709272528.db2.gz KGYOQBFXITYMIE-RDJZCZTQSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001034039563 709272530 /nfs/dbraw/zinc/27/25/30/709272530.db2.gz KGYOQBFXITYMIE-RDJZCZTQSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001034039563 709272532 /nfs/dbraw/zinc/27/25/32/709272532.db2.gz KGYOQBFXITYMIE-RDJZCZTQSA-N 2 2 333.480 1.278 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC001002832899 709443729 /nfs/dbraw/zinc/44/37/29/709443729.db2.gz NABNCSSUVXSVCA-QGZVFWFLSA-N 2 2 332.448 1.405 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034240539 709624891 /nfs/dbraw/zinc/62/48/91/709624891.db2.gz REEILXAJUDVXFP-SJLPKXTDSA-N 2 2 347.507 1.765 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034240539 709624895 /nfs/dbraw/zinc/62/48/95/709624895.db2.gz REEILXAJUDVXFP-SJLPKXTDSA-N 2 2 347.507 1.765 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034240539 709624898 /nfs/dbraw/zinc/62/48/98/709624898.db2.gz REEILXAJUDVXFP-SJLPKXTDSA-N 2 2 347.507 1.765 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034240539 709624900 /nfs/dbraw/zinc/62/49/00/709624900.db2.gz REEILXAJUDVXFP-SJLPKXTDSA-N 2 2 347.507 1.765 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269172 709673226 /nfs/dbraw/zinc/67/32/26/709673226.db2.gz AOJOPEHPACTPCB-BBRMVZONSA-N 2 2 343.431 1.411 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269172 709673229 /nfs/dbraw/zinc/67/32/29/709673229.db2.gz AOJOPEHPACTPCB-BBRMVZONSA-N 2 2 343.431 1.411 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001034309401 709751435 /nfs/dbraw/zinc/75/14/35/709751435.db2.gz LOLYPXPASXIQJU-HOTGVXAUSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001034309401 709751436 /nfs/dbraw/zinc/75/14/36/709751436.db2.gz LOLYPXPASXIQJU-HOTGVXAUSA-N 2 2 342.447 1.713 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@@H+]1C ZINC001034364908 709885905 /nfs/dbraw/zinc/88/59/05/709885905.db2.gz XFLZZKRFCLNHRV-ULQDDVLXSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@H+]1C ZINC001034364908 709885909 /nfs/dbraw/zinc/88/59/09/709885909.db2.gz XFLZZKRFCLNHRV-ULQDDVLXSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034364908 709885914 /nfs/dbraw/zinc/88/59/14/709885914.db2.gz XFLZZKRFCLNHRV-ULQDDVLXSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034364908 709885920 /nfs/dbraw/zinc/88/59/20/709885920.db2.gz XFLZZKRFCLNHRV-ULQDDVLXSA-N 2 2 345.491 1.678 20 0 EDADLP CC1(C)CO[C@@H](C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001003071836 709936857 /nfs/dbraw/zinc/93/68/57/709936857.db2.gz UMJZTLLPIYACGO-BZUAXINKSA-N 2 2 346.475 1.909 20 0 EDADLP CC1(C)CO[C@@H](C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001003071836 709936859 /nfs/dbraw/zinc/93/68/59/709936859.db2.gz UMJZTLLPIYACGO-BZUAXINKSA-N 2 2 346.475 1.909 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001034398678 709940873 /nfs/dbraw/zinc/94/08/73/709940873.db2.gz PHXJOMDJJPOVDC-IRXDYDNUSA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)n1 ZINC001034398678 709940877 /nfs/dbraw/zinc/94/08/77/709940877.db2.gz PHXJOMDJJPOVDC-IRXDYDNUSA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001034398678 709940879 /nfs/dbraw/zinc/94/08/79/709940879.db2.gz PHXJOMDJJPOVDC-IRXDYDNUSA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001034398678 709940883 /nfs/dbraw/zinc/94/08/83/709940883.db2.gz PHXJOMDJJPOVDC-IRXDYDNUSA-N 2 2 347.507 1.858 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034489770 710107614 /nfs/dbraw/zinc/10/76/14/710107614.db2.gz DLMQQGQGXYZHQG-CABCVRRESA-N 2 2 343.431 1.232 20 0 EDADLP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034489770 710107617 /nfs/dbraw/zinc/10/76/17/710107617.db2.gz DLMQQGQGXYZHQG-CABCVRRESA-N 2 2 343.431 1.232 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CCC(F)(F)F)C1 ZINC001034483428 710127463 /nfs/dbraw/zinc/12/74/63/710127463.db2.gz DAWHQUVKCSQEPK-GFCCVEGCSA-N 2 2 332.370 1.886 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CCC(F)(F)F)C1 ZINC001034483428 710127465 /nfs/dbraw/zinc/12/74/65/710127465.db2.gz DAWHQUVKCSQEPK-GFCCVEGCSA-N 2 2 332.370 1.886 20 0 EDADLP CCc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001034485934 710132324 /nfs/dbraw/zinc/13/23/24/710132324.db2.gz HMOOJOXENNNEFU-OAHLLOKOSA-N 2 2 346.475 1.804 20 0 EDADLP CCc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001034485934 710132326 /nfs/dbraw/zinc/13/23/26/710132326.db2.gz HMOOJOXENNNEFU-OAHLLOKOSA-N 2 2 346.475 1.804 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC001034524792 710174042 /nfs/dbraw/zinc/17/40/42/710174042.db2.gz HZIPAQHILZXXOX-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC001034524792 710174044 /nfs/dbraw/zinc/17/40/44/710174044.db2.gz HZIPAQHILZXXOX-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001034524792 710174046 /nfs/dbraw/zinc/17/40/46/710174046.db2.gz HZIPAQHILZXXOX-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001034524792 710174047 /nfs/dbraw/zinc/17/40/47/710174047.db2.gz HZIPAQHILZXXOX-CABCVRRESA-N 2 2 336.505 1.874 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034538585 710211879 /nfs/dbraw/zinc/21/18/79/710211879.db2.gz QTBXQMYRTSJDMP-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccnn2C)C1 ZINC001034538585 710211881 /nfs/dbraw/zinc/21/18/81/710211881.db2.gz QTBXQMYRTSJDMP-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccnn2C)C1 ZINC001034538585 710211883 /nfs/dbraw/zinc/21/18/83/710211883.db2.gz QTBXQMYRTSJDMP-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccnn2C)C1 ZINC001034538585 710211886 /nfs/dbraw/zinc/21/18/86/710211886.db2.gz QTBXQMYRTSJDMP-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC001003547213 710413850 /nfs/dbraw/zinc/41/38/50/710413850.db2.gz IWANYGPBPTVHKJ-GFCCVEGCSA-N 2 2 334.468 1.097 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001034671318 710613507 /nfs/dbraw/zinc/61/35/07/710613507.db2.gz MKIAAFKEWLJUFP-JOCQHMNTSA-N 2 2 340.387 1.777 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC001003900801 710883373 /nfs/dbraw/zinc/88/33/73/710883373.db2.gz LWESGNYGUFLZME-UHFFFAOYSA-N 2 2 331.395 1.821 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC001034744140 710946436 /nfs/dbraw/zinc/94/64/36/710946436.db2.gz MFSJTKXIOLTAGP-JFIYKMOQSA-N 2 2 348.491 1.910 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001032960443 710969577 /nfs/dbraw/zinc/96/95/77/710969577.db2.gz SWASQOIIORYZOE-PBHICJAKSA-N 2 2 332.448 1.679 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001032960443 710969581 /nfs/dbraw/zinc/96/95/81/710969581.db2.gz SWASQOIIORYZOE-PBHICJAKSA-N 2 2 332.448 1.679 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001032960443 710969584 /nfs/dbraw/zinc/96/95/84/710969584.db2.gz SWASQOIIORYZOE-PBHICJAKSA-N 2 2 332.448 1.679 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(C3CC3)no2)C1 ZINC001032960443 710969587 /nfs/dbraw/zinc/96/95/87/710969587.db2.gz SWASQOIIORYZOE-PBHICJAKSA-N 2 2 332.448 1.679 20 0 EDADLP Cc1cc(F)ccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032971849 711035245 /nfs/dbraw/zinc/03/52/45/711035245.db2.gz ABOUWMBXEPWGBQ-ROUUACIJSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032971849 711035255 /nfs/dbraw/zinc/03/52/55/711035255.db2.gz ABOUWMBXEPWGBQ-ROUUACIJSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032971849 711035258 /nfs/dbraw/zinc/03/52/58/711035258.db2.gz ABOUWMBXEPWGBQ-ROUUACIJSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032971849 711035264 /nfs/dbraw/zinc/03/52/64/711035264.db2.gz ABOUWMBXEPWGBQ-ROUUACIJSA-N 2 2 349.450 1.497 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001034764963 711041511 /nfs/dbraw/zinc/04/15/11/711041511.db2.gz ZPKZVHWSMJZUFU-BZUAXINKSA-N 2 2 334.464 1.928 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034775700 711049182 /nfs/dbraw/zinc/04/91/82/711049182.db2.gz GUHPUIVYSHIMDT-JOCQHMNTSA-N 2 2 333.461 1.636 20 0 EDADLP Cc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976688 711089815 /nfs/dbraw/zinc/08/98/15/711089815.db2.gz PBNPZDBREOIZOI-ZWKOTPCHSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976688 711089820 /nfs/dbraw/zinc/08/98/20/711089820.db2.gz PBNPZDBREOIZOI-ZWKOTPCHSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001032976688 711089825 /nfs/dbraw/zinc/08/98/25/711089825.db2.gz PBNPZDBREOIZOI-ZWKOTPCHSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001032976688 711089830 /nfs/dbraw/zinc/08/98/30/711089830.db2.gz PBNPZDBREOIZOI-ZWKOTPCHSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1ccc(F)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032977016 711092010 /nfs/dbraw/zinc/09/20/10/711092010.db2.gz QTQQJGHXGXXVEF-ZWKOTPCHSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032977016 711092015 /nfs/dbraw/zinc/09/20/15/711092015.db2.gz QTQQJGHXGXXVEF-ZWKOTPCHSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032977016 711092019 /nfs/dbraw/zinc/09/20/19/711092019.db2.gz QTQQJGHXGXXVEF-ZWKOTPCHSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032977016 711092020 /nfs/dbraw/zinc/09/20/20/711092020.db2.gz QTQQJGHXGXXVEF-ZWKOTPCHSA-N 2 2 349.450 1.497 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001032977026 711092497 /nfs/dbraw/zinc/09/24/97/711092497.db2.gz QVWJCQBFGQOQFV-IRXDYDNUSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001032977026 711092498 /nfs/dbraw/zinc/09/24/98/711092498.db2.gz QVWJCQBFGQOQFV-IRXDYDNUSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccc(F)cc2)C1 ZINC001032977026 711092499 /nfs/dbraw/zinc/09/24/99/711092499.db2.gz QVWJCQBFGQOQFV-IRXDYDNUSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccc(F)cc2)C1 ZINC001032977026 711092501 /nfs/dbraw/zinc/09/25/01/711092501.db2.gz QVWJCQBFGQOQFV-IRXDYDNUSA-N 2 2 335.423 1.189 20 0 EDADLP COc1ccc(C[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)cn1 ZINC001003972270 711126148 /nfs/dbraw/zinc/12/61/48/711126148.db2.gz WOKXGPNXJMKTRT-UHFFFAOYSA-N 2 2 343.431 1.147 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)c1ncccn1 ZINC001034802276 711127104 /nfs/dbraw/zinc/12/71/04/711127104.db2.gz VYWLQMADVQDWHN-KKUMJFAQSA-N 2 2 328.420 1.451 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2ocnc2C)CC1 ZINC001005719587 711143165 /nfs/dbraw/zinc/14/31/65/711143165.db2.gz QMVPJZYMXCXSOX-UHFFFAOYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001003968688 711143804 /nfs/dbraw/zinc/14/38/04/711143804.db2.gz SSEOUPUHYDKQQJ-GDBMZVCRSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2ccns2)CC1 ZINC001005719930 711144210 /nfs/dbraw/zinc/14/42/10/711144210.db2.gz WNUJDAKISBCJTE-UHFFFAOYSA-N 2 2 333.461 1.771 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)CC1 ZINC001034802011 711144230 /nfs/dbraw/zinc/14/42/30/711144230.db2.gz UEQFMNQNYHTERB-HDJSIYSDSA-N 2 2 326.391 1.945 20 0 EDADLP Cc1nonc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001034810322 711170735 /nfs/dbraw/zinc/17/07/35/711170735.db2.gz DWWNWPINESWUTO-QGZVFWFLSA-N 2 2 343.431 1.378 20 0 EDADLP Cc1nonc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001034810322 711170736 /nfs/dbraw/zinc/17/07/36/711170736.db2.gz DWWNWPINESWUTO-QGZVFWFLSA-N 2 2 343.431 1.378 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC001003975846 711174055 /nfs/dbraw/zinc/17/40/55/711174055.db2.gz ZTKPOLZHXBJHRG-GFCCVEGCSA-N 2 2 349.504 1.584 20 0 EDADLP Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001034891643 711347920 /nfs/dbraw/zinc/34/79/20/711347920.db2.gz YZOZORUZQJJKNU-RTBURBONSA-N 2 2 345.487 1.715 20 0 EDADLP Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001034891643 711347922 /nfs/dbraw/zinc/34/79/22/711347922.db2.gz YZOZORUZQJJKNU-RTBURBONSA-N 2 2 345.487 1.715 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033125460 711875884 /nfs/dbraw/zinc/87/58/84/711875884.db2.gz FNTYNYVQDGFDMK-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033125460 711875885 /nfs/dbraw/zinc/87/58/85/711875885.db2.gz FNTYNYVQDGFDMK-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033125460 711875887 /nfs/dbraw/zinc/87/58/87/711875887.db2.gz FNTYNYVQDGFDMK-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033125460 711875889 /nfs/dbraw/zinc/87/58/89/711875889.db2.gz FNTYNYVQDGFDMK-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004576844 712004413 /nfs/dbraw/zinc/00/44/13/712004413.db2.gz GDUQPKQXMLGQQC-MAUKXSAKSA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001004576844 712004416 /nfs/dbraw/zinc/00/44/16/712004416.db2.gz GDUQPKQXMLGQQC-MAUKXSAKSA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004576844 712004417 /nfs/dbraw/zinc/00/44/17/712004417.db2.gz GDUQPKQXMLGQQC-MAUKXSAKSA-N 2 2 348.491 1.938 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001004576844 712004420 /nfs/dbraw/zinc/00/44/20/712004420.db2.gz GDUQPKQXMLGQQC-MAUKXSAKSA-N 2 2 348.491 1.938 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033152241 712145777 /nfs/dbraw/zinc/14/57/77/712145777.db2.gz NTJJBEQGZBBSSJ-JKSUJKDBSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC001033152241 712145781 /nfs/dbraw/zinc/14/57/81/712145781.db2.gz NTJJBEQGZBBSSJ-JKSUJKDBSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC001033152241 712145784 /nfs/dbraw/zinc/14/57/84/712145784.db2.gz NTJJBEQGZBBSSJ-JKSUJKDBSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001033152241 712145786 /nfs/dbraw/zinc/14/57/86/712145786.db2.gz NTJJBEQGZBBSSJ-JKSUJKDBSA-N 2 2 348.495 1.111 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000370536399 712330684 /nfs/dbraw/zinc/33/06/84/712330684.db2.gz SFJOAZQTHWQKFA-ZWKOTPCHSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000370536399 712330686 /nfs/dbraw/zinc/33/06/86/712330686.db2.gz SFJOAZQTHWQKFA-ZWKOTPCHSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000370536399 712330688 /nfs/dbraw/zinc/33/06/88/712330688.db2.gz SFJOAZQTHWQKFA-ZWKOTPCHSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000370536399 712330690 /nfs/dbraw/zinc/33/06/90/712330690.db2.gz SFJOAZQTHWQKFA-ZWKOTPCHSA-N 2 2 337.508 1.581 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[NH+]1CCOCC1 ZINC000345509190 282236954 /nfs/dbraw/zinc/23/69/54/282236954.db2.gz UANAMNMUPDJGQC-UONOGXRCSA-N 2 2 333.423 1.237 20 0 EDADLP C[NH+](C)[C@H]1CCN(C(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)C1 ZINC000416150108 282263599 /nfs/dbraw/zinc/26/35/99/282263599.db2.gz IZACQJYLSVBXCC-AWEZNQCLSA-N 2 2 338.455 1.999 20 0 EDADLP C[NH+](C)[C@H]1CCN(C(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)C1 ZINC000416150108 282263604 /nfs/dbraw/zinc/26/36/04/282263604.db2.gz IZACQJYLSVBXCC-AWEZNQCLSA-N 2 2 338.455 1.999 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000329591244 539445785 /nfs/dbraw/zinc/44/57/85/539445785.db2.gz ZVVRJLLWKCECOK-UHFFFAOYSA-N 2 2 333.480 1.359 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC000329591244 539445791 /nfs/dbraw/zinc/44/57/91/539445791.db2.gz ZVVRJLLWKCECOK-UHFFFAOYSA-N 2 2 333.480 1.359 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000560677415 306277342 /nfs/dbraw/zinc/27/73/42/306277342.db2.gz WWXXPFZBNIFGEP-QGZVFWFLSA-N 2 2 328.416 1.558 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000560677415 306277343 /nfs/dbraw/zinc/27/73/43/306277343.db2.gz WWXXPFZBNIFGEP-QGZVFWFLSA-N 2 2 328.416 1.558 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1noc(-c2ccccc2)n1 ZINC000561190793 306284046 /nfs/dbraw/zinc/28/40/46/306284046.db2.gz SBJFSVZLCNCLLN-JSGCOSHPSA-N 2 2 344.419 1.082 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1noc(-c2ccccc2)n1 ZINC000561190793 306284047 /nfs/dbraw/zinc/28/40/47/306284047.db2.gz SBJFSVZLCNCLLN-JSGCOSHPSA-N 2 2 344.419 1.082 20 0 EDADLP C[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333940075 539661370 /nfs/dbraw/zinc/66/13/70/539661370.db2.gz NTRVAIKCYCVMPM-ZACQAIPSSA-N 2 2 338.496 1.271 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000562259153 306293303 /nfs/dbraw/zinc/29/33/03/306293303.db2.gz KMIXXEZBJITEQB-CVEARBPZSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000562259153 306293304 /nfs/dbraw/zinc/29/33/04/306293304.db2.gz KMIXXEZBJITEQB-CVEARBPZSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000562259153 306293305 /nfs/dbraw/zinc/29/33/05/306293305.db2.gz KMIXXEZBJITEQB-CVEARBPZSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000562259153 306293306 /nfs/dbraw/zinc/29/33/06/306293306.db2.gz KMIXXEZBJITEQB-CVEARBPZSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246920968 299173467 /nfs/dbraw/zinc/17/34/67/299173467.db2.gz GOKNXYRFWDCJNQ-CAOSSQGBSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000417521296 299181415 /nfs/dbraw/zinc/18/14/15/299181415.db2.gz PCNXWSBWNAGJQV-XYJFISCASA-N 2 2 348.491 1.875 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)CCC2 ZINC000562828276 306310615 /nfs/dbraw/zinc/31/06/15/306310615.db2.gz WELUGXCOMLYJTO-JYJNAYRXSA-N 2 2 349.479 1.165 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)CCC2 ZINC000562828276 306310616 /nfs/dbraw/zinc/31/06/16/306310616.db2.gz WELUGXCOMLYJTO-JYJNAYRXSA-N 2 2 349.479 1.165 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000563150286 306320335 /nfs/dbraw/zinc/32/03/35/306320335.db2.gz MMKHCNBWTVIMEM-UKRRQHHQSA-N 2 2 333.398 1.863 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000563150286 306320336 /nfs/dbraw/zinc/32/03/36/306320336.db2.gz MMKHCNBWTVIMEM-UKRRQHHQSA-N 2 2 333.398 1.863 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)o1 ZINC000563203507 306323265 /nfs/dbraw/zinc/32/32/65/306323265.db2.gz CBXGPXZORGARIV-OAHLLOKOSA-N 2 2 330.432 1.937 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000412849644 304041429 /nfs/dbraw/zinc/04/14/29/304041429.db2.gz UCJFEVUIVPBFSH-DOTOQJQBSA-N 2 2 348.466 1.547 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000412849644 304041431 /nfs/dbraw/zinc/04/14/31/304041431.db2.gz UCJFEVUIVPBFSH-DOTOQJQBSA-N 2 2 348.466 1.547 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224212 540075368 /nfs/dbraw/zinc/07/53/68/540075368.db2.gz OMIWVHFJTGBXCD-SJLPKXTDSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224212 540075373 /nfs/dbraw/zinc/07/53/73/540075373.db2.gz OMIWVHFJTGBXCD-SJLPKXTDSA-N 2 2 342.443 1.342 20 0 EDADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000563388512 306331387 /nfs/dbraw/zinc/33/13/87/306331387.db2.gz WOIHYSGARIHTTB-IRXDYDNUSA-N 2 2 331.460 1.080 20 0 EDADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000563388512 306331388 /nfs/dbraw/zinc/33/13/88/306331388.db2.gz WOIHYSGARIHTTB-IRXDYDNUSA-N 2 2 331.460 1.080 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000563429622 306332521 /nfs/dbraw/zinc/33/25/21/306332521.db2.gz WYYUVSJMGADQIJ-MRXNPFEDSA-N 2 2 345.447 1.029 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000563429622 306332522 /nfs/dbraw/zinc/33/25/22/306332522.db2.gz WYYUVSJMGADQIJ-MRXNPFEDSA-N 2 2 345.447 1.029 20 0 EDADLP COCC[N@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413057183 304054089 /nfs/dbraw/zinc/05/40/89/304054089.db2.gz WYZBOOOYNFYKKE-HUUCEWRRSA-N 2 2 337.468 1.064 20 0 EDADLP COCC[N@@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413057183 304054090 /nfs/dbraw/zinc/05/40/90/304054090.db2.gz WYZBOOOYNFYKKE-HUUCEWRRSA-N 2 2 337.468 1.064 20 0 EDADLP COCC[N@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413057183 304054092 /nfs/dbraw/zinc/05/40/92/304054092.db2.gz WYZBOOOYNFYKKE-HUUCEWRRSA-N 2 2 337.468 1.064 20 0 EDADLP COCC[N@@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413057183 304054093 /nfs/dbraw/zinc/05/40/93/304054093.db2.gz WYZBOOOYNFYKKE-HUUCEWRRSA-N 2 2 337.468 1.064 20 0 EDADLP CCOCCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000089226627 138273536 /nfs/dbraw/zinc/27/35/36/138273536.db2.gz LELANSHWSTYEKM-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP CCOC(=O)CC[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000089909280 138275913 /nfs/dbraw/zinc/27/59/13/138275913.db2.gz WFBHXYYTBFZSFB-AWEZNQCLSA-N 2 2 342.484 1.043 20 0 EDADLP C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178242 138292326 /nfs/dbraw/zinc/29/23/26/138292326.db2.gz PMCAUQHTAHRBJI-LFVRLGFBSA-N 2 2 337.489 1.191 20 0 EDADLP C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178242 138292327 /nfs/dbraw/zinc/29/23/27/138292327.db2.gz PMCAUQHTAHRBJI-LFVRLGFBSA-N 2 2 337.489 1.191 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)c1ccco1 ZINC000186927584 236067513 /nfs/dbraw/zinc/06/75/13/236067513.db2.gz LSSGRYBHLHAHIR-HOTGVXAUSA-N 2 2 335.448 1.499 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)c1ccco1 ZINC000186927584 236067517 /nfs/dbraw/zinc/06/75/17/236067517.db2.gz LSSGRYBHLHAHIR-HOTGVXAUSA-N 2 2 335.448 1.499 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000563959188 306353457 /nfs/dbraw/zinc/35/34/57/306353457.db2.gz FIZVBUQJQVNXTC-PMACEKPBSA-N 2 2 340.471 1.130 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000563959188 306353458 /nfs/dbraw/zinc/35/34/58/306353458.db2.gz FIZVBUQJQVNXTC-PMACEKPBSA-N 2 2 340.471 1.130 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000413842704 304080187 /nfs/dbraw/zinc/08/01/87/304080187.db2.gz PTYXEMPBIBMOBC-HRBLRVMOSA-N 3 2 349.523 1.033 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000413842704 304080188 /nfs/dbraw/zinc/08/01/88/304080188.db2.gz PTYXEMPBIBMOBC-HRBLRVMOSA-N 3 2 349.523 1.033 20 0 EDADLP CC[NH+]1CC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000413842704 304080189 /nfs/dbraw/zinc/08/01/89/304080189.db2.gz PTYXEMPBIBMOBC-HRBLRVMOSA-N 3 2 349.523 1.033 20 0 EDADLP CC[NH+]1CC[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000413842704 304080190 /nfs/dbraw/zinc/08/01/90/304080190.db2.gz PTYXEMPBIBMOBC-HRBLRVMOSA-N 3 2 349.523 1.033 20 0 EDADLP COc1cc(NC(=O)CC[NH2+]C[C@H](C)[NH+](C)C)cc(OC)c1OC ZINC000564562844 306360718 /nfs/dbraw/zinc/36/07/18/306360718.db2.gz KFWKODCWAWFGFC-LBPRGKRZSA-N 2 2 339.436 1.581 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000564646383 306361781 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CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000156576267 206087546 /nfs/dbraw/zinc/08/75/46/206087546.db2.gz DYFCGYYKVGWRST-DZGCQCFKSA-N 2 2 325.478 1.730 20 0 EDADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000156576267 206087551 /nfs/dbraw/zinc/08/75/51/206087551.db2.gz DYFCGYYKVGWRST-DZGCQCFKSA-N 2 2 325.478 1.730 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000246244016 139100818 /nfs/dbraw/zinc/10/08/18/139100818.db2.gz VJMYLYWWLWHUDA-IAGOWNOFSA-N 2 2 347.507 1.853 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000246244016 139100819 /nfs/dbraw/zinc/10/08/19/139100819.db2.gz VJMYLYWWLWHUDA-IAGOWNOFSA-N 2 2 347.507 1.853 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000246244016 139100820 /nfs/dbraw/zinc/10/08/20/139100820.db2.gz VJMYLYWWLWHUDA-IAGOWNOFSA-N 2 2 347.507 1.853 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000246244016 139100821 /nfs/dbraw/zinc/10/08/21/139100821.db2.gz VJMYLYWWLWHUDA-IAGOWNOFSA-N 2 2 347.507 1.853 20 0 EDADLP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000246435371 139108462 /nfs/dbraw/zinc/10/84/62/139108462.db2.gz NJNADQVRMUYOOW-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000246449875 139108784 /nfs/dbraw/zinc/10/87/84/139108784.db2.gz XPVJXGAEYBWSLC-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000246449875 139108785 /nfs/dbraw/zinc/10/87/85/139108785.db2.gz XPVJXGAEYBWSLC-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000246530034 139112005 /nfs/dbraw/zinc/11/20/05/139112005.db2.gz WOIORKHCPVBESW-ZACQAIPSSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000246551225 139112476 /nfs/dbraw/zinc/11/24/76/139112476.db2.gz TVIPTNXSRGNFEO-IJEWVQPXSA-N 2 2 332.448 1.454 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246556174 139112768 /nfs/dbraw/zinc/11/27/68/139112768.db2.gz KRHGIZIOQSKSNA-DVOMOZLQSA-N 2 2 334.464 1.312 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246556174 139112770 /nfs/dbraw/zinc/11/27/70/139112770.db2.gz KRHGIZIOQSKSNA-DVOMOZLQSA-N 2 2 334.464 1.312 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246556174 139112771 /nfs/dbraw/zinc/11/27/71/139112771.db2.gz KRHGIZIOQSKSNA-DVOMOZLQSA-N 2 2 334.464 1.312 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246945011 139127953 /nfs/dbraw/zinc/12/79/53/139127953.db2.gz HUCXROWULAHSMM-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP COC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000162298069 206395706 /nfs/dbraw/zinc/39/57/06/206395706.db2.gz JTHHIFLVWHKTCC-IRXDYDNUSA-N 2 2 345.443 1.976 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@H]21 ZINC000247284329 139143510 /nfs/dbraw/zinc/14/35/10/139143510.db2.gz SZIDYBAPEJJUTB-JKSUJKDBSA-N 2 2 327.432 1.960 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@H]21 ZINC000247284329 139143511 /nfs/dbraw/zinc/14/35/11/139143511.db2.gz SZIDYBAPEJJUTB-JKSUJKDBSA-N 2 2 327.432 1.960 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248173709 139159244 /nfs/dbraw/zinc/15/92/44/139159244.db2.gz VFPDFMHSTNWCCH-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248173709 139159245 /nfs/dbraw/zinc/15/92/45/139159245.db2.gz VFPDFMHSTNWCCH-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248173709 139159246 /nfs/dbraw/zinc/15/92/46/139159246.db2.gz VFPDFMHSTNWCCH-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248173709 139159247 /nfs/dbraw/zinc/15/92/47/139159247.db2.gz VFPDFMHSTNWCCH-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000370079910 296286006 /nfs/dbraw/zinc/28/60/06/296286006.db2.gz CCTLBPPTIBCSRD-BRWVUGGUSA-N 2 2 337.508 1.724 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCc4ccccc4NC3=O)C2)CC1 ZINC000248831710 139176883 /nfs/dbraw/zinc/17/68/83/139176883.db2.gz IKVKLGYAKBRQDA-HKUYNNGSSA-N 2 2 342.487 1.652 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCc4ccccc4NC3=O)C2)CC1 ZINC000248831710 139176884 /nfs/dbraw/zinc/17/68/84/139176884.db2.gz IKVKLGYAKBRQDA-HKUYNNGSSA-N 2 2 342.487 1.652 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)CC[NH2+]C3CC3)CC2)cc1 ZINC000568880870 306491863 /nfs/dbraw/zinc/49/18/63/306491863.db2.gz NLEAKJKUPHPVEW-UHFFFAOYSA-N 2 2 331.460 1.872 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261624541 139212090 /nfs/dbraw/zinc/21/20/90/139212090.db2.gz DRAMKZFCECGPJY-DNVCBOLYSA-N 2 2 346.475 1.417 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261624541 139212091 /nfs/dbraw/zinc/21/20/91/139212091.db2.gz DRAMKZFCECGPJY-DNVCBOLYSA-N 2 2 346.475 1.417 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)n(-c2ccccc2F)n1 ZINC000261683250 139217317 /nfs/dbraw/zinc/21/73/17/139217317.db2.gz KEDZKLGRUFJPLR-GOSISDBHSA-N 2 2 345.422 1.929 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)n(-c2ccccc2F)n1 ZINC000261683250 139217318 /nfs/dbraw/zinc/21/73/18/139217318.db2.gz KEDZKLGRUFJPLR-GOSISDBHSA-N 2 2 345.422 1.929 20 0 EDADLP O=c1[nH]c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc2ccc(Cl)cc12 ZINC000261661848 139215400 /nfs/dbraw/zinc/21/54/00/139215400.db2.gz KSAYDWQXNFVKJE-ZDUSSCGKSA-N 2 2 347.850 1.468 20 0 EDADLP O=c1[nH]c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc2ccc(Cl)cc12 ZINC000261661848 139215401 /nfs/dbraw/zinc/21/54/01/139215401.db2.gz KSAYDWQXNFVKJE-ZDUSSCGKSA-N 2 2 347.850 1.468 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261709664 139219439 /nfs/dbraw/zinc/21/94/39/139219439.db2.gz IOXDSTWLMDWPDT-IQUTYRLHSA-N 2 2 349.475 1.940 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261709664 139219440 /nfs/dbraw/zinc/21/94/40/139219440.db2.gz IOXDSTWLMDWPDT-IQUTYRLHSA-N 2 2 349.475 1.940 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735073 139221748 /nfs/dbraw/zinc/22/17/48/139221748.db2.gz LFWKKPQHSDHZTA-ABAIWWIYSA-N 2 2 340.265 1.786 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735073 139221749 /nfs/dbraw/zinc/22/17/49/139221749.db2.gz LFWKKPQHSDHZTA-ABAIWWIYSA-N 2 2 340.265 1.786 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000261784253 139225655 /nfs/dbraw/zinc/22/56/55/139225655.db2.gz SFCONVMLGFOYJS-UHFFFAOYSA-N 2 2 333.329 1.708 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000261784253 139225656 /nfs/dbraw/zinc/22/56/56/139225656.db2.gz SFCONVMLGFOYJS-UHFFFAOYSA-N 2 2 333.329 1.708 20 0 EDADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000261883153 139233852 /nfs/dbraw/zinc/23/38/52/139233852.db2.gz UMKSAASSKSKYOW-SJLPKXTDSA-N 2 2 331.460 1.566 20 0 EDADLP COCCOc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)OCO2 ZINC000262098634 139250714 /nfs/dbraw/zinc/25/07/14/139250714.db2.gz VKRPTOWYCUUYND-GOSISDBHSA-N 2 2 334.416 1.626 20 0 EDADLP COCCOc1cc2c(cc1C[N@H+]1CC[C@@]3(CC[NH2+]C3)C1)OCO2 ZINC000262098634 139250715 /nfs/dbraw/zinc/25/07/15/139250715.db2.gz VKRPTOWYCUUYND-GOSISDBHSA-N 2 2 334.416 1.626 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc1F ZINC000262152366 139255514 /nfs/dbraw/zinc/25/55/14/139255514.db2.gz HWBDUPHPVXSNII-BZNIZROVSA-N 2 2 332.379 1.313 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000569349485 306504856 /nfs/dbraw/zinc/50/48/56/306504856.db2.gz ASOUSTPHAXJGHP-WFASDCNBSA-N 2 2 329.441 1.034 20 0 EDADLP [NH3+]C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416882925 251117800 /nfs/dbraw/zinc/11/78/00/251117800.db2.gz ASEGIOLCLLYGDL-RDJZCZTQSA-N 2 2 332.448 1.050 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000416989276 251119784 /nfs/dbraw/zinc/11/97/84/251119784.db2.gz DFWGHKAXMDXZDT-RDJZCZTQSA-N 2 2 334.464 1.275 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416997668 251123691 /nfs/dbraw/zinc/12/36/91/251123691.db2.gz YBXYUTIPSPMONT-VNHYZAJKSA-N 2 2 335.452 1.232 20 0 EDADLP C[NH2+]CCC1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000417413877 251165573 /nfs/dbraw/zinc/16/55/73/251165573.db2.gz HELCAJZCKZBJDR-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH2+]CCC1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000417413877 251165577 /nfs/dbraw/zinc/16/55/77/251165577.db2.gz HELCAJZCKZBJDR-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP COCC[NH2+]CCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417652952 251213765 /nfs/dbraw/zinc/21/37/65/251213765.db2.gz ASTFZNCOXUXEQY-AWEZNQCLSA-N 2 2 344.406 1.103 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)(C)C[NH+](C)C ZINC000176017509 207182516 /nfs/dbraw/zinc/18/25/16/207182516.db2.gz SFWZZKKYIVZOPW-CQSZACIVSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)C(C)(C)C[NH+](C)C ZINC000176017509 207182521 /nfs/dbraw/zinc/18/25/21/207182521.db2.gz SFWZZKKYIVZOPW-CQSZACIVSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@H]1C[NH3+] ZINC000417686533 251228085 /nfs/dbraw/zinc/22/80/85/251228085.db2.gz GTVDIYBTEUGVHQ-GOEBONIOSA-N 2 2 327.432 1.999 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)NCC(F)(F)C[NH3+])CC2)[nH+]c1 ZINC000417732790 251247202 /nfs/dbraw/zinc/24/72/02/251247202.db2.gz PHZFARAKFMUDSA-UHFFFAOYSA-N 2 2 327.379 1.252 20 0 EDADLP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CCO1 ZINC000417837548 251292277 /nfs/dbraw/zinc/29/22/77/251292277.db2.gz VKFSJOARQRMUFK-OLZOCXBDSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CCO1 ZINC000417837548 251292282 /nfs/dbraw/zinc/29/22/82/251292282.db2.gz VKFSJOARQRMUFK-OLZOCXBDSA-N 2 2 340.493 1.546 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418436955 251370936 /nfs/dbraw/zinc/37/09/36/251370936.db2.gz WZRFUKIONOEUDM-IAGOWNOFSA-N 2 2 331.464 1.426 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)c1 ZINC000418703896 251388303 /nfs/dbraw/zinc/38/83/03/251388303.db2.gz QYQUHZKZYDJIOP-KKUMJFAQSA-N 2 2 334.464 1.819 20 0 EDADLP C[NH2+][C@@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1cnn(C)c1 ZINC000262623815 139290903 /nfs/dbraw/zinc/29/09/03/139290903.db2.gz ZWKIEZPQIVQQIV-GOSISDBHSA-N 2 2 341.459 1.068 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422902758 252017136 /nfs/dbraw/zinc/01/71/36/252017136.db2.gz NLJIHANRAJIZBV-WMLDXEAASA-N 2 2 339.505 1.745 20 0 EDADLP OC[C@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1cc(F)cc(Br)c1 ZINC000423173038 252041028 /nfs/dbraw/zinc/04/10/28/252041028.db2.gz WRVYJTKNXPWCOA-FZMZJTMJSA-N 2 2 331.229 1.691 20 0 EDADLP Cc1c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cnn1-c1ccc(F)cc1 ZINC000423524271 252059842 /nfs/dbraw/zinc/05/98/42/252059842.db2.gz SXCNOJSTTZFWGJ-SUMWQHHRSA-N 2 2 331.439 1.874 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422911109 252020249 /nfs/dbraw/zinc/02/02/49/252020249.db2.gz SFLIFXVBKJOCFM-RTBURBONSA-N 3 2 346.519 1.988 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424030849 252120556 /nfs/dbraw/zinc/12/05/56/252120556.db2.gz RWONTFRWTAKTPJ-JQHSSLGASA-N 2 2 349.450 1.580 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424030849 252120559 /nfs/dbraw/zinc/12/05/59/252120559.db2.gz RWONTFRWTAKTPJ-JQHSSLGASA-N 2 2 349.450 1.580 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424168708 252151379 /nfs/dbraw/zinc/15/13/79/252151379.db2.gz ITGVSZBXZKHHKN-KBPBESRZSA-N 2 2 340.431 1.280 20 0 EDADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214500 252163606 /nfs/dbraw/zinc/16/36/06/252163606.db2.gz CTBRBAZECSYROK-ARFHVFGLSA-N 2 2 335.398 1.717 20 0 EDADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214500 252163609 /nfs/dbraw/zinc/16/36/09/252163609.db2.gz CTBRBAZECSYROK-ARFHVFGLSA-N 2 2 335.398 1.717 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000424217532 252164796 /nfs/dbraw/zinc/16/47/96/252164796.db2.gz MBXIVTTWNFLTRZ-QGZVFWFLSA-N 2 2 331.460 1.270 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000424289085 252189447 /nfs/dbraw/zinc/18/94/47/252189447.db2.gz BGOZKJKJRMLHKN-QZTJIDSGSA-N 3 2 330.476 1.190 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000424289085 252189453 /nfs/dbraw/zinc/18/94/53/252189453.db2.gz BGOZKJKJRMLHKN-QZTJIDSGSA-N 2 2 330.476 1.190 20 0 EDADLP [NH3+]C[C@@H](CN1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000424307745 252193876 /nfs/dbraw/zinc/19/38/76/252193876.db2.gz YGZUZVAAKCLRSM-KRWDZBQOSA-N 2 2 348.466 1.108 20 0 EDADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000263273306 139332476 /nfs/dbraw/zinc/33/24/76/139332476.db2.gz SNFMKCJJJVFLLK-DOTOQJQBSA-N 2 2 335.452 1.061 20 0 EDADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415676494 304254406 /nfs/dbraw/zinc/25/44/06/304254406.db2.gz KVVZCIXVEVGEOP-AWEZNQCLSA-N 2 2 341.415 1.398 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N2CCC([NH3+])CC2)[NH+]2CCOCC2)c1 ZINC000570146128 306531212 /nfs/dbraw/zinc/53/12/12/306531212.db2.gz DXFGWFAXRDGENS-GOSISDBHSA-N 2 2 346.475 1.501 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000263644591 139349419 /nfs/dbraw/zinc/34/94/19/139349419.db2.gz BUTFCVFFALNFSU-QZTJIDSGSA-N 2 2 331.460 1.345 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000263644591 139349420 /nfs/dbraw/zinc/34/94/20/139349420.db2.gz BUTFCVFFALNFSU-QZTJIDSGSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000263644591 139349421 /nfs/dbraw/zinc/34/94/21/139349421.db2.gz BUTFCVFFALNFSU-QZTJIDSGSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263644591 139349422 /nfs/dbraw/zinc/34/94/22/139349422.db2.gz BUTFCVFFALNFSU-QZTJIDSGSA-N 2 2 331.460 1.345 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493893804 255225061 /nfs/dbraw/zinc/22/50/61/255225061.db2.gz JDPDXYBBLOWJPK-LTIDMASMSA-N 2 2 335.492 1.476 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493893804 255225062 /nfs/dbraw/zinc/22/50/62/255225062.db2.gz JDPDXYBBLOWJPK-LTIDMASMSA-N 2 2 335.492 1.476 20 0 EDADLP CCOc1cc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1OC ZINC000493255280 255199745 /nfs/dbraw/zinc/19/97/45/255199745.db2.gz JZRPXMSOXYRWLI-PMGBHYCQSA-N 2 2 333.432 1.208 20 0 EDADLP CCOc1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1OC ZINC000493255280 255199746 /nfs/dbraw/zinc/19/97/46/255199746.db2.gz JZRPXMSOXYRWLI-PMGBHYCQSA-N 2 2 333.432 1.208 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C[C@@H]1C ZINC000494224521 255242489 /nfs/dbraw/zinc/24/24/89/255242489.db2.gz UDPKOEODGDTJSJ-BHYGNILZSA-N 2 2 338.496 1.364 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C[C@@H]1C ZINC000494224521 255242490 /nfs/dbraw/zinc/24/24/90/255242490.db2.gz UDPKOEODGDTJSJ-BHYGNILZSA-N 2 2 338.496 1.364 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C[C@@H]1C ZINC000494224521 255242491 /nfs/dbraw/zinc/24/24/91/255242491.db2.gz UDPKOEODGDTJSJ-BHYGNILZSA-N 2 2 338.496 1.364 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C[C@@H]1C ZINC000494224521 255242492 /nfs/dbraw/zinc/24/24/92/255242492.db2.gz UDPKOEODGDTJSJ-BHYGNILZSA-N 2 2 338.496 1.364 20 0 EDADLP COCC(C)(C)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494377974 255248271 /nfs/dbraw/zinc/24/82/71/255248271.db2.gz OUASXXGWHIOSEL-UHFFFAOYSA-N 2 2 334.464 1.383 20 0 EDADLP C[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494709293 255258931 /nfs/dbraw/zinc/25/89/31/255258931.db2.gz NOQRRAKNJWADJN-ZIAGYGMSSA-N 2 2 328.420 1.193 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000494880811 255264148 /nfs/dbraw/zinc/26/41/48/255264148.db2.gz TYOMUYLSKXUOTE-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000494880811 255264149 /nfs/dbraw/zinc/26/41/49/255264149.db2.gz TYOMUYLSKXUOTE-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000263899404 139368449 /nfs/dbraw/zinc/36/84/49/139368449.db2.gz ZDJQAMAGPBNKKL-KRWDZBQOSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000263899404 139368450 /nfs/dbraw/zinc/36/84/50/139368450.db2.gz ZDJQAMAGPBNKKL-KRWDZBQOSA-N 2 2 331.460 1.442 20 0 EDADLP Cn1c2c([nH+]c1[C@H]1CCCN1CC(=O)N1CC[NH+](C)CC1)CCCC2 ZINC000328629406 258030336 /nfs/dbraw/zinc/03/03/36/258030336.db2.gz IDKKXOKJWQNSMJ-QGZVFWFLSA-N 2 2 345.491 1.210 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000270981353 140212998 /nfs/dbraw/zinc/21/29/98/140212998.db2.gz VNFPQQOXCIFBCN-AWEZNQCLSA-N 2 2 328.416 1.994 20 0 EDADLP C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000271026180 140223209 /nfs/dbraw/zinc/22/32/09/140223209.db2.gz PCFJJBPSCAJVGK-CYBMUJFWSA-N 2 2 338.415 1.690 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000271088538 140234449 /nfs/dbraw/zinc/23/44/49/140234449.db2.gz HNKLLWZIVVFVJL-OAHLLOKOSA-N 2 2 332.448 1.266 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@H+](C)CCO)CC2)c(-c2ccncc2)n1 ZINC000271158217 140248035 /nfs/dbraw/zinc/24/80/35/140248035.db2.gz JAMQPYBRMRHIBJ-UHFFFAOYSA-N 2 2 329.448 1.371 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@@H+](C)CCO)CC2)c(-c2ccncc2)n1 ZINC000271158217 140248036 /nfs/dbraw/zinc/24/80/36/140248036.db2.gz JAMQPYBRMRHIBJ-UHFFFAOYSA-N 2 2 329.448 1.371 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H](C)O1 ZINC000271321515 140277931 /nfs/dbraw/zinc/27/79/31/140277931.db2.gz OQQGZARABOBBMP-GASCZTMLSA-N 2 2 343.431 1.496 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H](C)O1 ZINC000271321515 140277932 /nfs/dbraw/zinc/27/79/32/140277932.db2.gz OQQGZARABOBBMP-GASCZTMLSA-N 2 2 343.431 1.496 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+][C@@H](C)[C@H]3C)c[nH+]2)CCO1 ZINC000332023865 141112277 /nfs/dbraw/zinc/11/22/77/141112277.db2.gz GNNKVCWXMVBOOY-QLFBSQMISA-N 2 2 347.463 1.199 20 0 EDADLP Cc1nc(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cs1 ZINC000332549520 141201290 /nfs/dbraw/zinc/20/12/90/141201290.db2.gz FPEZTZWCRBGRRI-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP CN(C)c1ccc(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c[nH+]1 ZINC000332585762 141208921 /nfs/dbraw/zinc/20/89/21/141208921.db2.gz BWHVBFVYSIFWRJ-UHFFFAOYSA-N 2 2 349.479 1.400 20 0 EDADLP CN(C)c1ccc(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c[nH+]1 ZINC000332585762 141208923 /nfs/dbraw/zinc/20/89/23/141208923.db2.gz BWHVBFVYSIFWRJ-UHFFFAOYSA-N 2 2 349.479 1.400 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333140457 141270741 /nfs/dbraw/zinc/27/07/41/141270741.db2.gz CFZNYFCFYWXOJM-UHFFFAOYSA-N 2 2 331.464 1.715 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000333316846 141298125 /nfs/dbraw/zinc/29/81/25/141298125.db2.gz SXVRDFKNLHDCCR-LSDHHAIUSA-N 2 2 338.477 1.259 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333369626 141306985 /nfs/dbraw/zinc/30/69/85/141306985.db2.gz MFTQFGZDRIITFB-MAUKXSAKSA-N 2 2 329.448 1.445 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)ccc2[nH+]1 ZINC000333833621 141390613 /nfs/dbraw/zinc/39/06/13/141390613.db2.gz LXXBGORIFOXOLF-OKILXGFUSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)ccc2[nH+]1 ZINC000333833621 141390614 /nfs/dbraw/zinc/39/06/14/141390614.db2.gz LXXBGORIFOXOLF-OKILXGFUSA-N 2 2 331.420 1.562 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000338391080 141799718 /nfs/dbraw/zinc/79/97/18/141799718.db2.gz BZIXDKDVFJTTMY-UHFFFAOYSA-N 2 2 325.453 1.624 20 0 EDADLP COc1ccc(F)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c1 ZINC000339390609 142034656 /nfs/dbraw/zinc/03/46/56/142034656.db2.gz DVXXWKSGALYQQD-RHSMWYFYSA-N 2 2 332.379 1.677 20 0 EDADLP CC(C)C[C@H]([NH3+])c1noc(CC[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000339391767 142035014 /nfs/dbraw/zinc/03/50/14/142035014.db2.gz CVOHIYXXHKAZQT-HNNXBMFYSA-N 2 2 344.463 1.875 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c[nH+]1 ZINC000339407836 142039967 /nfs/dbraw/zinc/03/99/67/142039967.db2.gz PAMGIXHQGNNLKB-RBUKOAKNSA-N 3 2 344.503 1.903 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c[nH+]1 ZINC000339407836 142039969 /nfs/dbraw/zinc/03/99/69/142039969.db2.gz PAMGIXHQGNNLKB-RBUKOAKNSA-N 3 2 344.503 1.903 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000339701404 142125176 /nfs/dbraw/zinc/12/51/76/142125176.db2.gz HOSOYIUBFKCICP-INIZCTEOSA-N 2 2 331.460 1.619 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)C[C@H]1c1ccccc1 ZINC000340236999 142315767 /nfs/dbraw/zinc/31/57/67/142315767.db2.gz MLHDECMJGDCBBP-OTWHNJEPSA-N 3 2 344.503 1.751 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)C[C@H]1c1ccccc1 ZINC000340236999 142315769 /nfs/dbraw/zinc/31/57/69/142315769.db2.gz MLHDECMJGDCBBP-OTWHNJEPSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C[C@H]1c1ccccc1 ZINC000340236999 142315770 /nfs/dbraw/zinc/31/57/70/142315770.db2.gz MLHDECMJGDCBBP-OTWHNJEPSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C[C@H]1c1ccccc1 ZINC000340236999 142315772 /nfs/dbraw/zinc/31/57/72/142315772.db2.gz MLHDECMJGDCBBP-OTWHNJEPSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+](C)CCOc1cc(NC(=O)c2ccc3[nH+]ccn3c2)ccn1 ZINC000345291625 143073977 /nfs/dbraw/zinc/07/39/77/143073977.db2.gz BMNNRGZNWHKMNH-UHFFFAOYSA-N 2 2 325.372 1.922 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)[N@H+](C)C1 ZINC000345376859 143083812 /nfs/dbraw/zinc/08/38/12/143083812.db2.gz GYGWERGRFOLGOC-IRXDYDNUSA-N 2 2 342.443 1.461 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)[N@@H+](C)C1 ZINC000345376859 143083813 /nfs/dbraw/zinc/08/38/13/143083813.db2.gz GYGWERGRFOLGOC-IRXDYDNUSA-N 2 2 342.443 1.461 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000345704793 143123390 /nfs/dbraw/zinc/12/33/90/143123390.db2.gz ZKAPFRXCNFRTDV-LBPRGKRZSA-N 2 2 341.406 1.540 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCOCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000345965706 143152085 /nfs/dbraw/zinc/15/20/85/143152085.db2.gz UJGQQCGTMIWALY-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000345965706 143152086 /nfs/dbraw/zinc/15/20/86/143152086.db2.gz UJGQQCGTMIWALY-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000346187812 143176806 /nfs/dbraw/zinc/17/68/06/143176806.db2.gz OFTFUHGBNNRKSB-PMPSAXMXSA-N 2 2 332.510 1.148 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C1 ZINC000346187812 143176807 /nfs/dbraw/zinc/17/68/07/143176807.db2.gz OFTFUHGBNNRKSB-PMPSAXMXSA-N 2 2 332.510 1.148 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC000346388878 143199764 /nfs/dbraw/zinc/19/97/64/143199764.db2.gz YHIIWXQECADFNJ-ROUUACIJSA-N 2 2 349.450 1.044 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC000346388878 143199765 /nfs/dbraw/zinc/19/97/65/143199765.db2.gz YHIIWXQECADFNJ-ROUUACIJSA-N 2 2 349.450 1.044 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000346419764 143202880 /nfs/dbraw/zinc/20/28/80/143202880.db2.gz YMMRYEMHYCINCB-HIFRSBDPSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)n1 ZINC000346419764 143202881 /nfs/dbraw/zinc/20/28/81/143202881.db2.gz YMMRYEMHYCINCB-HIFRSBDPSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1 ZINC000346419764 143202882 /nfs/dbraw/zinc/20/28/82/143202882.db2.gz YMMRYEMHYCINCB-HIFRSBDPSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000346419764 143202883 /nfs/dbraw/zinc/20/28/83/143202883.db2.gz YMMRYEMHYCINCB-HIFRSBDPSA-N 2 2 346.431 1.223 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC000346620948 143222979 /nfs/dbraw/zinc/22/29/79/143222979.db2.gz RPYZQBXNYPEDMK-HUUCEWRRSA-N 2 2 338.500 1.655 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnnn2C(C)(C)C)[C@H](C)C1 ZINC000346620948 143222980 /nfs/dbraw/zinc/22/29/80/143222980.db2.gz RPYZQBXNYPEDMK-HUUCEWRRSA-N 2 2 338.500 1.655 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000346839409 143250581 /nfs/dbraw/zinc/25/05/81/143250581.db2.gz SPYWMGAQIXIZCU-ULQDDVLXSA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2(=O)=O)[C@@H](C)C1 ZINC000346839409 143250582 /nfs/dbraw/zinc/25/05/82/143250582.db2.gz SPYWMGAQIXIZCU-ULQDDVLXSA-N 2 2 346.537 1.680 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000347110656 143283790 /nfs/dbraw/zinc/28/37/90/143283790.db2.gz NPMUHVBIERPQCU-IJXRJRJASA-N 2 2 344.503 1.745 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000347110656 143283791 /nfs/dbraw/zinc/28/37/91/143283791.db2.gz NPMUHVBIERPQCU-IJXRJRJASA-N 2 2 344.503 1.745 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)c2ccccc2C1 ZINC000347623479 143342303 /nfs/dbraw/zinc/34/23/03/143342303.db2.gz YOPRGGLMHGXVNN-UHFFFAOYSA-N 2 2 331.460 1.968 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCC[NH+]2CCOCC2)c2ccccc2C1 ZINC000347623479 143342304 /nfs/dbraw/zinc/34/23/04/143342304.db2.gz YOPRGGLMHGXVNN-UHFFFAOYSA-N 2 2 331.460 1.968 20 0 EDADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000347858351 143371114 /nfs/dbraw/zinc/37/11/14/143371114.db2.gz HBTAQFOLHZCJCW-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000347858351 143371115 /nfs/dbraw/zinc/37/11/15/143371115.db2.gz HBTAQFOLHZCJCW-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1[nH]cc[nH+]1 ZINC000347973134 143385770 /nfs/dbraw/zinc/38/57/70/143385770.db2.gz UATKYKBLVVYWRU-CVEARBPZSA-N 2 2 328.416 1.878 20 0 EDADLP CC[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1[nH]cc[nH+]1 ZINC000347973134 143385771 /nfs/dbraw/zinc/38/57/71/143385771.db2.gz UATKYKBLVVYWRU-CVEARBPZSA-N 2 2 328.416 1.878 20 0 EDADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)[C@@H](C)[NH+]2CCSCC2)C1 ZINC000348016056 143391575 /nfs/dbraw/zinc/39/15/75/143391575.db2.gz XYAPSCJHOWDEIX-BZUAXINKSA-N 2 2 341.521 1.135 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC(C)(C)C[NH+]3CCCC3)C[C@@H]21 ZINC000348044280 143395359 /nfs/dbraw/zinc/39/53/59/143395359.db2.gz LYGMIZGFJLREBC-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)NCC(C)(C)C[NH+]3CCCC3)C[C@@H]21 ZINC000348044280 143395360 /nfs/dbraw/zinc/39/53/60/143395360.db2.gz LYGMIZGFJLREBC-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1ccco1 ZINC000416821162 304350235 /nfs/dbraw/zinc/35/02/35/304350235.db2.gz VEACHOYSYCMASP-HZPDHXFCSA-N 2 2 343.431 1.633 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C2CC2)[C@H](C)C1 ZINC000192193944 286059930 /nfs/dbraw/zinc/05/99/30/286059930.db2.gz LAHMDJKFGFQSBD-IJEWVQPXSA-N 2 2 336.484 1.796 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2nnnn2C2CC2)[C@H](C)C1 ZINC000192193944 286059932 /nfs/dbraw/zinc/05/99/32/286059932.db2.gz LAHMDJKFGFQSBD-IJEWVQPXSA-N 2 2 336.484 1.796 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n(C)n1 ZINC000369899718 155222530 /nfs/dbraw/zinc/22/25/30/155222530.db2.gz JOKJNHTZIOPUGU-HNNXBMFYSA-N 2 2 342.447 1.947 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n(C)n1 ZINC000369899718 155222534 /nfs/dbraw/zinc/22/25/34/155222534.db2.gz JOKJNHTZIOPUGU-HNNXBMFYSA-N 2 2 342.447 1.947 20 0 EDADLP COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(OC(F)F)c1 ZINC000352721436 149128081 /nfs/dbraw/zinc/12/80/81/149128081.db2.gz ROFPPICTMSBEIK-CQSZACIVSA-N 2 2 341.402 1.776 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)N1CC[NH+](C)CC1)C2 ZINC000352862464 149194489 /nfs/dbraw/zinc/19/44/89/149194489.db2.gz AQHMOZPBOUUDOR-AWEZNQCLSA-N 2 2 333.480 1.064 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416902488 304355013 /nfs/dbraw/zinc/35/50/13/304355013.db2.gz DNTWFBASJNLIIY-CJNGLKHVSA-N 2 2 345.447 1.815 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000353006820 149249651 /nfs/dbraw/zinc/24/96/51/149249651.db2.gz HRXXLTCISRGEQH-CXAGYDPISA-N 2 2 342.399 1.761 20 0 EDADLP CN(CC[NH+](C)C)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354908280 150025332 /nfs/dbraw/zinc/02/53/32/150025332.db2.gz HSWYMZXPFOVJMS-MRXNPFEDSA-N 2 2 349.479 1.037 20 0 EDADLP CN(CC[NH+](C)C)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354908280 150025334 /nfs/dbraw/zinc/02/53/34/150025334.db2.gz HSWYMZXPFOVJMS-MRXNPFEDSA-N 2 2 349.479 1.037 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]Cc2csnn2)cc[nH+]1 ZINC000354936147 150040900 /nfs/dbraw/zinc/04/09/00/150040900.db2.gz VIEIQMXNJPARIG-PWSUYJOCSA-N 2 2 337.428 1.101 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc3n2CCCC3)[C@@H](C)C1 ZINC000354973894 150061435 /nfs/dbraw/zinc/06/14/35/150061435.db2.gz XBNFYPVPZAZAJM-HOTGVXAUSA-N 2 2 335.496 1.841 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc3n2CCCC3)[C@@H](C)C1 ZINC000354973894 150061436 /nfs/dbraw/zinc/06/14/36/150061436.db2.gz XBNFYPVPZAZAJM-HOTGVXAUSA-N 2 2 335.496 1.841 20 0 EDADLP C[C@@H]1CN(C(=O)NCCOCC2CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355039439 150087639 /nfs/dbraw/zinc/08/76/39/150087639.db2.gz MWGSYFBYXQDMDN-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCCOCC2CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355039439 150087642 /nfs/dbraw/zinc/08/76/42/150087642.db2.gz MWGSYFBYXQDMDN-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP O=C1NC(=O)C2(CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)N1 ZINC000355325202 150218132 /nfs/dbraw/zinc/21/81/32/150218132.db2.gz MZRZXVXJPSECKB-UHFFFAOYSA-N 2 2 331.401 1.108 20 0 EDADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000355337199 150222745 /nfs/dbraw/zinc/22/27/45/150222745.db2.gz FKMUFMDPUPLNFG-ROUUACIJSA-N 2 2 340.427 1.808 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355407534 150256838 /nfs/dbraw/zinc/25/68/38/150256838.db2.gz HFVCXFLCXLLHFF-ZIFCJYIRSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355407534 150256840 /nfs/dbraw/zinc/25/68/40/150256840.db2.gz HFVCXFLCXLLHFF-ZIFCJYIRSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355407534 150256841 /nfs/dbraw/zinc/25/68/41/150256841.db2.gz HFVCXFLCXLLHFF-ZIFCJYIRSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355407534 150256844 /nfs/dbraw/zinc/25/68/44/150256844.db2.gz HFVCXFLCXLLHFF-ZIFCJYIRSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355499985 150293657 /nfs/dbraw/zinc/29/36/57/150293657.db2.gz CLICHXGBAYCULI-DOTOQJQBSA-N 3 2 345.491 1.387 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355499985 150293659 /nfs/dbraw/zinc/29/36/59/150293659.db2.gz CLICHXGBAYCULI-DOTOQJQBSA-N 3 2 345.491 1.387 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000355577290 150321348 /nfs/dbraw/zinc/32/13/48/150321348.db2.gz QXFLTCGEOFNWSR-ZWKOTPCHSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000355577290 150321349 /nfs/dbraw/zinc/32/13/49/150321349.db2.gz QXFLTCGEOFNWSR-ZWKOTPCHSA-N 2 2 345.487 1.596 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417032852 304363215 /nfs/dbraw/zinc/36/32/15/304363215.db2.gz HSEGLOLASJYSKC-ZWKOTPCHSA-N 2 2 348.491 1.733 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417044487 304365542 /nfs/dbraw/zinc/36/55/42/304365542.db2.gz SVQFSRCERQLIEZ-GOSISDBHSA-N 2 2 346.475 1.501 20 0 EDADLP [NH3+]C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417045359 304365834 /nfs/dbraw/zinc/36/58/34/304365834.db2.gz VDBPGJBIMRYGCT-DOTOQJQBSA-N 2 2 332.448 1.050 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000357349106 151004232 /nfs/dbraw/zinc/00/42/32/151004232.db2.gz AFRUTVKVUHOTBK-CVEARBPZSA-N 2 2 341.496 1.103 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)CCCO)CC1 ZINC000357720031 151124417 /nfs/dbraw/zinc/12/44/17/151124417.db2.gz CNFAOARAJMJGJH-UHFFFAOYSA-N 2 2 328.501 1.110 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000417072036 304369530 /nfs/dbraw/zinc/36/95/30/304369530.db2.gz HDIRLKLZGQURPF-HOCLYGCPSA-N 2 2 331.464 1.867 20 0 EDADLP CC(C)[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000357787507 151151925 /nfs/dbraw/zinc/15/19/25/151151925.db2.gz DDPKYXJJSPTSIN-RDJZCZTQSA-N 2 2 340.512 1.515 20 0 EDADLP CC[NH+]1CCN(CC(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CC1 ZINC000357968386 151215015 /nfs/dbraw/zinc/21/50/15/151215015.db2.gz XXUUTGLXKMMGSJ-UHFFFAOYSA-N 2 2 338.883 1.978 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358049397 151247442 /nfs/dbraw/zinc/24/74/42/151247442.db2.gz RSAFAZAGGHLQHR-DNVCBOLYSA-N 3 2 344.503 1.550 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358049397 151247445 /nfs/dbraw/zinc/24/74/45/151247445.db2.gz RSAFAZAGGHLQHR-DNVCBOLYSA-N 3 2 344.503 1.550 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)C2CC[NH+](CC(F)F)CC2)C[C@@H](C)O1 ZINC000358081724 151263515 /nfs/dbraw/zinc/26/35/15/151263515.db2.gz LXPIWJARIRAHRS-ZIAGYGMSSA-N 2 2 347.450 1.579 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1C ZINC000417078842 304370835 /nfs/dbraw/zinc/37/08/35/304370835.db2.gz QRNNSSMMMWIWAK-HUUCEWRRSA-N 2 2 327.432 1.823 20 0 EDADLP COc1cc(Br)ccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358169249 151294144 /nfs/dbraw/zinc/29/41/44/151294144.db2.gz QYUCZLBQRGNXRY-AWEZNQCLSA-N 2 2 329.238 1.614 20 0 EDADLP COc1cc(Br)ccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358169249 151294145 /nfs/dbraw/zinc/29/41/45/151294145.db2.gz QYUCZLBQRGNXRY-AWEZNQCLSA-N 2 2 329.238 1.614 20 0 EDADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(SC)cc1OC ZINC000358176074 151295639 /nfs/dbraw/zinc/29/56/39/151295639.db2.gz WECQYNMSLAVLLI-MRXNPFEDSA-N 2 2 326.462 1.582 20 0 EDADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(SC)cc1OC ZINC000358176074 151295641 /nfs/dbraw/zinc/29/56/41/151295641.db2.gz WECQYNMSLAVLLI-MRXNPFEDSA-N 2 2 326.462 1.582 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000358173010 151296063 /nfs/dbraw/zinc/29/60/63/151296063.db2.gz UQKGFUVFQSKQJU-PKOBYXMFSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000358173010 151296064 /nfs/dbraw/zinc/29/60/64/151296064.db2.gz UQKGFUVFQSKQJU-PKOBYXMFSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358277417 151324734 /nfs/dbraw/zinc/32/47/34/151324734.db2.gz SUBXHTQOSRGXNY-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358277417 151324736 /nfs/dbraw/zinc/32/47/36/151324736.db2.gz SUBXHTQOSRGXNY-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000370056268 155305431 /nfs/dbraw/zinc/30/54/31/155305431.db2.gz DXPGVLACERWCGP-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000370056268 155305437 /nfs/dbraw/zinc/30/54/37/155305437.db2.gz DXPGVLACERWCGP-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000360803434 152211804 /nfs/dbraw/zinc/21/18/04/152211804.db2.gz VEOIBFHDPGSWQU-HZPDHXFCSA-N 2 2 328.501 1.469 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000360803434 152211806 /nfs/dbraw/zinc/21/18/06/152211806.db2.gz VEOIBFHDPGSWQU-HZPDHXFCSA-N 2 2 328.501 1.469 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@](C)(O)Cc2ccccc2)CC1 ZINC000360896456 152244406 /nfs/dbraw/zinc/24/44/06/152244406.db2.gz HBLGVHKXXFLUOU-IBGZPJMESA-N 2 2 333.476 1.122 20 0 EDADLP C[C@@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1=CC[N@H+](C)CC1 ZINC000360982031 152269826 /nfs/dbraw/zinc/26/98/26/152269826.db2.gz ANQPSKNIDKJOQN-CQSZACIVSA-N 2 2 340.431 1.717 20 0 EDADLP C[C@@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C1=CC[N@@H+](C)CC1 ZINC000360982031 152269827 /nfs/dbraw/zinc/26/98/27/152269827.db2.gz ANQPSKNIDKJOQN-CQSZACIVSA-N 2 2 340.431 1.717 20 0 EDADLP CN(C)c1nc(N(C)C[C@@H]2C[C@H](F)C[N@@H+]2Cc2ccnn2C)cc[nH+]1 ZINC000361001962 152275710 /nfs/dbraw/zinc/27/57/10/152275710.db2.gz KLUUUKOHUPYQJU-ZFWWWQNUSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N(C)C[C@@H]2C[C@H](F)C[N@H+]2Cc2ccnn2C)cc[nH+]1 ZINC000361001962 152275711 /nfs/dbraw/zinc/27/57/11/152275711.db2.gz KLUUUKOHUPYQJU-ZFWWWQNUSA-N 2 2 347.442 1.325 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000361177139 152326519 /nfs/dbraw/zinc/32/65/19/152326519.db2.gz GWJUJKRAEMFIFN-HNNXBMFYSA-N 2 2 335.423 1.631 20 0 EDADLP C[N@@H+]1CCc2ncnc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2C1 ZINC000361216166 152338713 /nfs/dbraw/zinc/33/87/13/152338713.db2.gz RQKWXOHKHGSAFL-AWEZNQCLSA-N 2 2 331.464 1.377 20 0 EDADLP C[N@H+]1CCc2ncnc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2C1 ZINC000361216166 152338714 /nfs/dbraw/zinc/33/87/14/152338714.db2.gz RQKWXOHKHGSAFL-AWEZNQCLSA-N 2 2 331.464 1.377 20 0 EDADLP Cc1c([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000361230628 152341009 /nfs/dbraw/zinc/34/10/09/152341009.db2.gz QBMXVJQNWNADRN-CVEARBPZSA-N 2 2 342.491 1.862 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NCC[NH+]2CCCOCC2)[C@@H](C)C1 ZINC000361337852 152365814 /nfs/dbraw/zinc/36/58/14/152365814.db2.gz YXJANIBNSBCOHO-ROUUACIJSA-N 2 2 327.513 1.435 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NCC[NH+]2CCCOCC2)[C@@H](C)C1 ZINC000361337852 152365815 /nfs/dbraw/zinc/36/58/15/152365815.db2.gz YXJANIBNSBCOHO-ROUUACIJSA-N 2 2 327.513 1.435 20 0 EDADLP CCOCCC[NH+]1CC[C@H](NCC[N@@H+]2CCCOCC2)[C@@H](C)C1 ZINC000361337852 152365817 /nfs/dbraw/zinc/36/58/17/152365817.db2.gz YXJANIBNSBCOHO-ROUUACIJSA-N 2 2 327.513 1.435 20 0 EDADLP CCOCCC[NH+]1CC[C@H](NCC[N@H+]2CCCOCC2)[C@@H](C)C1 ZINC000361337852 152365818 /nfs/dbraw/zinc/36/58/18/152365818.db2.gz YXJANIBNSBCOHO-ROUUACIJSA-N 2 2 327.513 1.435 20 0 EDADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000363765303 153049552 /nfs/dbraw/zinc/04/95/52/153049552.db2.gz KERGHBXLLOUYPI-MRXNPFEDSA-N 2 2 334.464 1.037 20 0 EDADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000363765303 153049555 /nfs/dbraw/zinc/04/95/55/153049555.db2.gz KERGHBXLLOUYPI-MRXNPFEDSA-N 2 2 334.464 1.037 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C[C@@H](C)[NH+]1CCO ZINC000364178027 153164528 /nfs/dbraw/zinc/16/45/28/153164528.db2.gz CYKTYBGJPSHCFD-BRWVUGGUSA-N 2 2 346.475 1.212 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000364731634 153317479 /nfs/dbraw/zinc/31/74/79/153317479.db2.gz VIEBVPPCDJLWST-INIZCTEOSA-N 2 2 343.537 1.056 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000364731634 153317480 /nfs/dbraw/zinc/31/74/80/153317480.db2.gz VIEBVPPCDJLWST-INIZCTEOSA-N 2 2 343.537 1.056 20 0 EDADLP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)cc2)CC1 ZINC000364830113 153345352 /nfs/dbraw/zinc/34/53/52/153345352.db2.gz JOJAJXCIDDRHEP-OAHLLOKOSA-N 2 2 338.402 1.764 20 0 EDADLP C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)cc2)CC1 ZINC000364830113 153345354 /nfs/dbraw/zinc/34/53/54/153345354.db2.gz JOJAJXCIDDRHEP-OAHLLOKOSA-N 2 2 338.402 1.764 20 0 EDADLP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000364886212 153361197 /nfs/dbraw/zinc/36/11/97/153361197.db2.gz PLVZTSVKNCBHHD-IAGOWNOFSA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000364886212 153361200 /nfs/dbraw/zinc/36/12/00/153361200.db2.gz PLVZTSVKNCBHHD-IAGOWNOFSA-N 2 2 345.491 1.892 20 0 EDADLP COCCn1cc(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000367087822 154005254 /nfs/dbraw/zinc/00/52/54/154005254.db2.gz ZHGQQVRBOGSHGP-UHFFFAOYSA-N 2 2 329.448 1.679 20 0 EDADLP C[C@@H]1C[C@H](C)[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000367153548 154024321 /nfs/dbraw/zinc/02/43/21/154024321.db2.gz NASHSLUBJINTLX-BBWFWOEESA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1CN(C(=O)N2CCSCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367211279 154043379 /nfs/dbraw/zinc/04/33/79/154043379.db2.gz KACDSCGDEJHKNI-CQSZACIVSA-N 2 2 326.510 1.256 20 0 EDADLP C[C@@H]1CN(C(=O)N2CCSCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367211279 154043381 /nfs/dbraw/zinc/04/33/81/154043381.db2.gz KACDSCGDEJHKNI-CQSZACIVSA-N 2 2 326.510 1.256 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCn3c(nnc3C3CC3)C2)CC1 ZINC000367251418 154054880 /nfs/dbraw/zinc/05/48/80/154054880.db2.gz NPSDJOUMJYITES-UHFFFAOYSA-N 2 2 332.496 1.387 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCn3c(nnc3C3CC3)C2)CC1 ZINC000367251418 154054883 /nfs/dbraw/zinc/05/48/83/154054883.db2.gz NPSDJOUMJYITES-UHFFFAOYSA-N 2 2 332.496 1.387 20 0 EDADLP Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000367273267 154061907 /nfs/dbraw/zinc/06/19/07/154061907.db2.gz BMDQRQZQSAZOIT-SFHVURJKSA-N 2 2 331.460 1.532 20 0 EDADLP Cc1ccccc1[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000367273267 154061911 /nfs/dbraw/zinc/06/19/11/154061911.db2.gz BMDQRQZQSAZOIT-SFHVURJKSA-N 2 2 331.460 1.532 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367425177 154116998 /nfs/dbraw/zinc/11/69/98/154116998.db2.gz BKIAJOQLDXIJKD-HZPDHXFCSA-N 2 2 334.464 1.718 20 0 EDADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(S(N)(=O)=O)c1 ZINC000367438536 154122116 /nfs/dbraw/zinc/12/21/16/154122116.db2.gz NPPZIMCMRTYSGS-LBPRGKRZSA-N 2 2 334.445 1.718 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000367649754 154212386 /nfs/dbraw/zinc/21/23/86/154212386.db2.gz XCYAHVVOFWVQOQ-MRXNPFEDSA-N 2 2 332.448 1.479 20 0 EDADLP CC(C)SCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367919823 154325487 /nfs/dbraw/zinc/32/54/87/154325487.db2.gz BWCYUIWJJMRSTR-MRXNPFEDSA-N 2 2 342.553 1.938 20 0 EDADLP CC(C)SCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367919823 154325488 /nfs/dbraw/zinc/32/54/88/154325488.db2.gz BWCYUIWJJMRSTR-MRXNPFEDSA-N 2 2 342.553 1.938 20 0 EDADLP c1nc(C2OCCO2)sc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368018146 154369250 /nfs/dbraw/zinc/36/92/50/154369250.db2.gz IWDXLQXILBMSMG-NEPJUHHUSA-N 2 2 325.434 1.141 20 0 EDADLP c1nc(C2OCCO2)sc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368018146 154369255 /nfs/dbraw/zinc/36/92/55/154369255.db2.gz IWDXLQXILBMSMG-NEPJUHHUSA-N 2 2 325.434 1.141 20 0 EDADLP COc1cccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1O ZINC000126656438 286443660 /nfs/dbraw/zinc/44/36/60/286443660.db2.gz ZXFJPCTXYYFKOS-UHFFFAOYSA-N 2 2 347.459 1.689 20 0 EDADLP O=C1C[C@@H]([NH2+]C(C2CCC2)C2CCC2)CN1CC[NH+]1CCOCC1 ZINC000368559467 154611070 /nfs/dbraw/zinc/61/10/70/154611070.db2.gz VUTJKNQOBGOIPF-QGZVFWFLSA-N 2 2 335.492 1.478 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000369639292 155118411 /nfs/dbraw/zinc/11/84/11/155118411.db2.gz ODKFMIRHQRRTTI-INIZCTEOSA-N 2 2 333.480 1.867 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000371044204 155754023 /nfs/dbraw/zinc/75/40/23/155754023.db2.gz OFUDQINOBCOIDR-CQSZACIVSA-N 2 2 335.452 1.030 20 0 EDADLP C[C@@H]1CN(Cc2nnc(C3CC3)n2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371694055 156065257 /nfs/dbraw/zinc/06/52/57/156065257.db2.gz SJEDOSWFDGZXIM-CQSZACIVSA-N 2 2 332.496 1.293 20 0 EDADLP C[C@@H]1CN(Cc2nnc(C3CC3)n2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371694055 156065260 /nfs/dbraw/zinc/06/52/60/156065260.db2.gz SJEDOSWFDGZXIM-CQSZACIVSA-N 2 2 332.496 1.293 20 0 EDADLP CCc1cc(=O)[nH]c(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000371692335 156066139 /nfs/dbraw/zinc/06/61/39/156066139.db2.gz IKZDGPYWNJDJKX-AWEZNQCLSA-N 2 2 333.480 1.345 20 0 EDADLP CCc1cc(=O)[nH]c(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000371692335 156066145 /nfs/dbraw/zinc/06/61/45/156066145.db2.gz IKZDGPYWNJDJKX-AWEZNQCLSA-N 2 2 333.480 1.345 20 0 EDADLP Cc1nnccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000372231465 156279429 /nfs/dbraw/zinc/27/94/29/156279429.db2.gz BEAKCGNOARGTJL-UHFFFAOYSA-N 2 2 331.464 1.465 20 0 EDADLP c1cn(CC[N@@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)c[nH+]1 ZINC000372319901 156330532 /nfs/dbraw/zinc/33/05/32/156330532.db2.gz XTWRLLRTXYAPIK-ZDUSSCGKSA-N 2 2 325.376 1.950 20 0 EDADLP c1cn(CC[N@H+]2CCCC[C@H]2c2nc(-c3ncccn3)no2)c[nH+]1 ZINC000372319901 156330535 /nfs/dbraw/zinc/33/05/35/156330535.db2.gz XTWRLLRTXYAPIK-ZDUSSCGKSA-N 2 2 325.376 1.950 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372428008 156384501 /nfs/dbraw/zinc/38/45/01/156384501.db2.gz LCPXROIYZPDMLI-PKOBYXMFSA-N 3 2 333.524 1.930 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372428008 156384505 /nfs/dbraw/zinc/38/45/05/156384505.db2.gz LCPXROIYZPDMLI-PKOBYXMFSA-N 3 2 333.524 1.930 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372427048 156384590 /nfs/dbraw/zinc/38/45/90/156384590.db2.gz PBDBSVFJSVJVBO-UHFFFAOYSA-N 2 2 325.416 1.873 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000372448746 156394476 /nfs/dbraw/zinc/39/44/76/156394476.db2.gz BKMTUAXCKAXGRN-INIZCTEOSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000417531086 304403684 /nfs/dbraw/zinc/40/36/84/304403684.db2.gz YXHJCHOGGMYCCV-HOTGVXAUSA-N 2 2 340.512 1.707 20 0 EDADLP C[C@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CCN1C1CC[NH+](C)CC1 ZINC000374259137 157217354 /nfs/dbraw/zinc/21/73/54/157217354.db2.gz ZCPLDNCSWYVNMN-HNNXBMFYSA-N 2 2 344.507 1.903 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000374386275 157271170 /nfs/dbraw/zinc/27/11/70/157271170.db2.gz MOWFLISBHNFCTN-GDBMZVCRSA-N 2 2 332.448 1.256 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000374386275 157271172 /nfs/dbraw/zinc/27/11/72/157271172.db2.gz MOWFLISBHNFCTN-GDBMZVCRSA-N 2 2 332.448 1.256 20 0 EDADLP CC1(CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC[NH2+]CC1 ZINC000575775525 306671624 /nfs/dbraw/zinc/67/16/24/306671624.db2.gz QKZDHTAWKIJGOZ-UHFFFAOYSA-N 2 2 328.420 1.838 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377972499 158044126 /nfs/dbraw/zinc/04/41/26/158044126.db2.gz WGGWVKCUICNZCL-AWEZNQCLSA-N 2 2 341.415 1.084 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000378071884 158071816 /nfs/dbraw/zinc/07/18/16/158071816.db2.gz LXTGAAOTBHCGSW-IUODEOHRSA-N 2 2 333.461 1.974 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000378071884 158071819 /nfs/dbraw/zinc/07/18/19/158071819.db2.gz LXTGAAOTBHCGSW-IUODEOHRSA-N 2 2 333.461 1.974 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378367700 158153909 /nfs/dbraw/zinc/15/39/09/158153909.db2.gz SIDBKEBRWIHMAC-CQSZACIVSA-N 2 2 345.443 1.656 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378367700 158153911 /nfs/dbraw/zinc/15/39/11/158153911.db2.gz SIDBKEBRWIHMAC-CQSZACIVSA-N 2 2 345.443 1.656 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378370879 158154825 /nfs/dbraw/zinc/15/48/25/158154825.db2.gz OOMMHQVOTWEZEH-CABCVRRESA-N 2 2 345.491 1.142 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378370879 158154827 /nfs/dbraw/zinc/15/48/27/158154827.db2.gz OOMMHQVOTWEZEH-CABCVRRESA-N 2 2 345.491 1.142 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000378405940 158165203 /nfs/dbraw/zinc/16/52/03/158165203.db2.gz SWUAPTGCENXKNO-OLMNPRSZSA-N 2 2 328.460 1.645 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000378453263 158179201 /nfs/dbraw/zinc/17/92/01/158179201.db2.gz WJJASXBDEFGMPS-HDICACEKSA-N 2 2 347.507 1.018 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000378453263 158179203 /nfs/dbraw/zinc/17/92/03/158179203.db2.gz WJJASXBDEFGMPS-HDICACEKSA-N 2 2 347.507 1.018 20 0 EDADLP COc1ccc(O)cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408438470 158362738 /nfs/dbraw/zinc/36/27/38/158362738.db2.gz ILTOCVHEOIBWIM-AWEZNQCLSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(O)cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408438470 158362741 /nfs/dbraw/zinc/36/27/41/158362741.db2.gz ILTOCVHEOIBWIM-AWEZNQCLSA-N 2 2 347.459 1.641 20 0 EDADLP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCOCC1 ZINC000352418278 162172891 /nfs/dbraw/zinc/17/28/91/162172891.db2.gz ARRLTEPIZOVMFT-QRQLOZEOSA-N 2 2 343.471 1.298 20 0 EDADLP C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCOCC1 ZINC000352418278 162172894 /nfs/dbraw/zinc/17/28/94/162172894.db2.gz ARRLTEPIZOVMFT-QRQLOZEOSA-N 2 2 343.471 1.298 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000352486612 162207262 /nfs/dbraw/zinc/20/72/62/162207262.db2.gz SZRBVYCINJAJTM-MRXNPFEDSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000352486612 162207264 /nfs/dbraw/zinc/20/72/64/162207264.db2.gz SZRBVYCINJAJTM-MRXNPFEDSA-N 2 2 349.479 1.036 20 0 EDADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1C ZINC000352495927 162213072 /nfs/dbraw/zinc/21/30/72/162213072.db2.gz QBQFWNFBSVDNKY-AEFFLSMTSA-N 2 2 330.476 1.610 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352495417 162213135 /nfs/dbraw/zinc/21/31/35/162213135.db2.gz LNTIQEUSEMJMAO-AWEZNQCLSA-N 2 2 326.462 1.672 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352495417 162213137 /nfs/dbraw/zinc/21/31/37/162213137.db2.gz LNTIQEUSEMJMAO-AWEZNQCLSA-N 2 2 326.462 1.672 20 0 EDADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000352504636 162217462 /nfs/dbraw/zinc/21/74/62/162217462.db2.gz SNXYSMQAKCJQLT-QUCCMNQESA-N 2 2 342.487 1.233 20 0 EDADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352518694 162226147 /nfs/dbraw/zinc/22/61/47/162226147.db2.gz JFTHVNBEAMLVFL-IRXDYDNUSA-N 2 2 330.476 1.610 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363155990 162314973 /nfs/dbraw/zinc/31/49/73/162314973.db2.gz BGQNSUHXWBAGLV-BBRMVZONSA-N 2 2 331.464 1.544 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000363155990 162314977 /nfs/dbraw/zinc/31/49/77/162314977.db2.gz BGQNSUHXWBAGLV-BBRMVZONSA-N 2 2 331.464 1.544 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000364613833 162339187 /nfs/dbraw/zinc/33/91/87/162339187.db2.gz CNJICQCELJTVCV-UHFFFAOYSA-N 2 2 347.378 1.653 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000366715879 287215886 /nfs/dbraw/zinc/21/58/86/287215886.db2.gz BPWCHNGQJCTGIY-BZUAXINKSA-N 2 2 325.522 1.899 20 0 EDADLP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000366715879 287215887 /nfs/dbraw/zinc/21/58/87/287215887.db2.gz BPWCHNGQJCTGIY-BZUAXINKSA-N 2 2 325.522 1.899 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000073667675 287263062 /nfs/dbraw/zinc/26/30/62/287263062.db2.gz BQKDRHNRBMMPKA-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000073667675 287263063 /nfs/dbraw/zinc/26/30/63/287263063.db2.gz BQKDRHNRBMMPKA-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000075617361 287277809 /nfs/dbraw/zinc/27/78/09/287277809.db2.gz ISUAFQDQNWMGGG-RMKNXTFCSA-N 2 2 342.443 1.970 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000075617361 287277811 /nfs/dbraw/zinc/27/78/11/287277811.db2.gz ISUAFQDQNWMGGG-RMKNXTFCSA-N 2 2 342.443 1.970 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000078541754 287294410 /nfs/dbraw/zinc/29/44/10/287294410.db2.gz ALLZGFJXLSIHOI-DOTOQJQBSA-N 2 2 329.448 1.744 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079733863 287302842 /nfs/dbraw/zinc/30/28/42/287302842.db2.gz SLTHTKIIKPGHSL-WMZOPIPTSA-N 2 2 348.491 1.179 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000081572855 287314198 /nfs/dbraw/zinc/31/41/98/287314198.db2.gz RYHQDHJCMFZEPL-LLVKDONJSA-N 2 2 338.374 1.038 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000081572855 287314199 /nfs/dbraw/zinc/31/41/99/287314199.db2.gz RYHQDHJCMFZEPL-LLVKDONJSA-N 2 2 338.374 1.038 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000081572855 287314200 /nfs/dbraw/zinc/31/42/00/287314200.db2.gz RYHQDHJCMFZEPL-LLVKDONJSA-N 2 2 338.374 1.038 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000081572855 287314201 /nfs/dbraw/zinc/31/42/01/287314201.db2.gz RYHQDHJCMFZEPL-LLVKDONJSA-N 2 2 338.374 1.038 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000111244583 287336642 /nfs/dbraw/zinc/33/66/42/287336642.db2.gz CCMRQMZQKFAPSG-KRWDZBQOSA-N 2 2 340.427 1.640 20 0 EDADLP CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)O ZINC000655551710 452370060 /nfs/dbraw/zinc/37/00/60/452370060.db2.gz DCNUGQMVAIGQDE-DZGCQCFKSA-N 2 2 326.485 1.004 20 0 EDADLP CC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)O ZINC000655551710 452370066 /nfs/dbraw/zinc/37/00/66/452370066.db2.gz DCNUGQMVAIGQDE-DZGCQCFKSA-N 2 2 326.485 1.004 20 0 EDADLP CC[C@@]1(C)CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000190777278 272976172 /nfs/dbraw/zinc/97/61/72/272976172.db2.gz NVQPJEVWZCNQCB-KRWDZBQOSA-N 2 2 326.485 1.223 20 0 EDADLP C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000237260336 273008669 /nfs/dbraw/zinc/00/86/69/273008669.db2.gz LPJCGNCGMZAPGI-KRWDZBQOSA-N 2 2 331.460 1.590 20 0 EDADLP CN(C(=O)c1cncnc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000273875333 268087702 /nfs/dbraw/zinc/08/77/02/268087702.db2.gz WUKPDWWEQVEUAD-MSOLQXFVSA-N 2 2 345.491 1.886 20 0 EDADLP CN(C(=O)c1cncnc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000273875333 268087704 /nfs/dbraw/zinc/08/77/04/268087704.db2.gz WUKPDWWEQVEUAD-MSOLQXFVSA-N 2 2 345.491 1.886 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3CCN(c4[nH+]ccn4C)CC3)on2)cn1 ZINC000274398753 268135540 /nfs/dbraw/zinc/13/55/40/268135540.db2.gz JLUAXHZEDFLAAO-UHFFFAOYSA-N 2 2 327.392 1.131 20 0 EDADLP CS[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1[NH+]1CCCC1 ZINC000275183682 268292424 /nfs/dbraw/zinc/29/24/24/268292424.db2.gz ZINHVDLICHYXDC-GJZGRUSLSA-N 2 2 330.457 1.986 20 0 EDADLP O=C(C[N@@H+](CCO)C1CCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000275821445 268374738 /nfs/dbraw/zinc/37/47/38/268374738.db2.gz JZULJPCSLXXGCZ-UHFFFAOYSA-N 2 2 347.459 1.304 20 0 EDADLP O=C(C[N@H+](CCO)C1CCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000275821445 268374739 /nfs/dbraw/zinc/37/47/39/268374739.db2.gz JZULJPCSLXXGCZ-UHFFFAOYSA-N 2 2 347.459 1.304 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1CO ZINC000276040531 268393394 /nfs/dbraw/zinc/39/33/94/268393394.db2.gz NKEAQEYMVRKUQQ-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1CO ZINC000276040531 268393396 /nfs/dbraw/zinc/39/33/96/268393396.db2.gz NKEAQEYMVRKUQQ-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)CCO1 ZINC000647861422 452594668 /nfs/dbraw/zinc/59/46/68/452594668.db2.gz AGSXUZPEWXJDLZ-IUODEOHRSA-N 2 2 325.840 1.394 20 0 EDADLP c1c(Cc2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)[nH+]c2ccccn12 ZINC000273969220 273063175 /nfs/dbraw/zinc/06/31/75/273063175.db2.gz LJAYLLVEVWLEHC-KGLIPLIRSA-N 2 2 325.372 1.844 20 0 EDADLP c1c(Cc2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)[nH+]c2ccccn12 ZINC000273969220 273063177 /nfs/dbraw/zinc/06/31/77/273063177.db2.gz LJAYLLVEVWLEHC-KGLIPLIRSA-N 2 2 325.372 1.844 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274348307 273086790 /nfs/dbraw/zinc/08/67/90/273086790.db2.gz JYLYHBLYDRKPDD-AWEZNQCLSA-N 2 2 332.452 1.041 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274348307 273086791 /nfs/dbraw/zinc/08/67/91/273086791.db2.gz JYLYHBLYDRKPDD-AWEZNQCLSA-N 2 2 332.452 1.041 20 0 EDADLP O=C(CC1CC[NH2+]CC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000164384316 272931869 /nfs/dbraw/zinc/93/18/69/272931869.db2.gz XAUKOIZQQWTSDD-UHFFFAOYSA-N 2 2 326.444 1.980 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccco1 ZINC000277682235 273216171 /nfs/dbraw/zinc/21/61/71/273216171.db2.gz FTTMUAHMAMCZRL-AWEZNQCLSA-N 2 2 336.436 1.046 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000277772805 273225883 /nfs/dbraw/zinc/22/58/83/273225883.db2.gz DZSJWLXOJYLMNR-UHFFFAOYSA-N 2 2 328.424 1.621 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278687850 273266937 /nfs/dbraw/zinc/26/69/37/273266937.db2.gz PNCJIIQUAAFPQX-SECBINFHSA-N 2 2 336.383 1.591 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278687850 273266938 /nfs/dbraw/zinc/26/69/38/273266938.db2.gz PNCJIIQUAAFPQX-SECBINFHSA-N 2 2 336.383 1.591 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)NCC[N@H+]2CC=CCC2)c2ccccc2)CC1 ZINC000279762081 273324633 /nfs/dbraw/zinc/32/46/33/273324633.db2.gz AQGVMDWKZIJKRN-LJQANCHMSA-N 2 2 342.487 1.353 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)NCC[N@@H+]2CC=CCC2)c2ccccc2)CC1 ZINC000279762081 273324634 /nfs/dbraw/zinc/32/46/34/273324634.db2.gz AQGVMDWKZIJKRN-LJQANCHMSA-N 2 2 342.487 1.353 20 0 EDADLP Cc1nc2c(cccc2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000280321353 273356723 /nfs/dbraw/zinc/35/67/23/273356723.db2.gz IPXOXZLQVMAQCQ-UHFFFAOYSA-N 2 2 330.432 1.892 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)cn1 ZINC000284026323 274051917 /nfs/dbraw/zinc/05/19/17/274051917.db2.gz OZCIWFADIRIAJD-UHFFFAOYSA-N 2 2 338.415 1.416 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)cn1 ZINC000284026323 274051919 /nfs/dbraw/zinc/05/19/19/274051919.db2.gz OZCIWFADIRIAJD-UHFFFAOYSA-N 2 2 338.415 1.416 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)CC1 ZINC000284074460 274071122 /nfs/dbraw/zinc/07/11/22/274071122.db2.gz RAYDSVGWYJWERU-INIZCTEOSA-N 2 2 342.447 1.578 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)CC3 ZINC000360592889 274119499 /nfs/dbraw/zinc/11/94/99/274119499.db2.gz DBNFNWHCRGJGCG-GJZGRUSLSA-N 2 2 342.487 1.869 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)CC3 ZINC000360592889 274119501 /nfs/dbraw/zinc/11/95/01/274119501.db2.gz DBNFNWHCRGJGCG-GJZGRUSLSA-N 2 2 342.487 1.869 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000284559047 274244293 /nfs/dbraw/zinc/24/42/93/274244293.db2.gz MDJUVZFBTZIERI-HOTGVXAUSA-N 2 2 328.416 1.546 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000284559047 274244295 /nfs/dbraw/zinc/24/42/95/274244295.db2.gz MDJUVZFBTZIERI-HOTGVXAUSA-N 2 2 328.416 1.546 20 0 EDADLP CC[N@H+](CCOCCO)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284777974 274328121 /nfs/dbraw/zinc/32/81/21/274328121.db2.gz NDBVWKCRHGCQSH-IBGZPJMESA-N 2 2 336.476 1.608 20 0 EDADLP CC[N@@H+](CCOCCO)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284777974 274328122 /nfs/dbraw/zinc/32/81/22/274328122.db2.gz NDBVWKCRHGCQSH-IBGZPJMESA-N 2 2 336.476 1.608 20 0 EDADLP CC[NH+](CCOCCO)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284777974 274328124 /nfs/dbraw/zinc/32/81/24/274328124.db2.gz NDBVWKCRHGCQSH-IBGZPJMESA-N 2 2 336.476 1.608 20 0 EDADLP CC[NH+](CCOCCO)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284777974 274328126 /nfs/dbraw/zinc/32/81/26/274328126.db2.gz NDBVWKCRHGCQSH-IBGZPJMESA-N 2 2 336.476 1.608 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285567526 274581772 /nfs/dbraw/zinc/58/17/72/274581772.db2.gz RBXMNWDGGUASCT-CQSZACIVSA-N 2 2 345.447 1.105 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000346278051 276239130 /nfs/dbraw/zinc/23/91/30/276239130.db2.gz PJMIXIXWKXUJKR-HZPDHXFCSA-N 3 2 339.528 1.137 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000346278051 276239132 /nfs/dbraw/zinc/23/91/32/276239132.db2.gz PJMIXIXWKXUJKR-HZPDHXFCSA-N 3 2 339.528 1.137 20 0 EDADLP CCN(CC)C(=O)C[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348114643 276316763 /nfs/dbraw/zinc/31/67/63/276316763.db2.gz IMTVODBCAYUKAZ-LSDHHAIUSA-N 2 2 339.459 1.133 20 0 EDADLP CCN(CC)C(=O)C[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348114643 276316764 /nfs/dbraw/zinc/31/67/64/276316764.db2.gz IMTVODBCAYUKAZ-LSDHHAIUSA-N 2 2 339.459 1.133 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCCn3cc[nH+]c32)C[C@@H]1CC ZINC000370020093 276320370 /nfs/dbraw/zinc/32/03/70/276320370.db2.gz SDETZAKNXIKMAJ-HOTGVXAUSA-N 2 2 334.464 1.720 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCCn3cc[nH+]c32)C[C@@H]1CC ZINC000370020093 276320372 /nfs/dbraw/zinc/32/03/72/276320372.db2.gz SDETZAKNXIKMAJ-HOTGVXAUSA-N 2 2 334.464 1.720 20 0 EDADLP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372488139 276326643 /nfs/dbraw/zinc/32/66/43/276326643.db2.gz XKVQZANYGPXJIO-QGZVFWFLSA-N 3 2 339.528 1.138 20 0 EDADLP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372488139 276326646 /nfs/dbraw/zinc/32/66/46/276326646.db2.gz XKVQZANYGPXJIO-QGZVFWFLSA-N 3 2 339.528 1.138 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn4c3CCCC4)C2)CC1 ZINC000376209961 277027946 /nfs/dbraw/zinc/02/79/46/277027946.db2.gz KTRQJCNGURZIFC-CQSZACIVSA-N 2 2 331.464 1.118 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn4c3CCCC4)C2)CC1 ZINC000376209961 277027948 /nfs/dbraw/zinc/02/79/48/277027948.db2.gz KTRQJCNGURZIFC-CQSZACIVSA-N 2 2 331.464 1.118 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000374153390 277066197 /nfs/dbraw/zinc/06/61/97/277066197.db2.gz IFMLAWUHPNCFIP-BRWVUGGUSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000374153390 277066198 /nfs/dbraw/zinc/06/61/98/277066198.db2.gz IFMLAWUHPNCFIP-BRWVUGGUSA-N 2 2 345.491 1.748 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000366136110 277227838 /nfs/dbraw/zinc/22/78/38/277227838.db2.gz LXSFZGFAYQAZSH-HZSPNIEDSA-N 2 2 335.452 1.018 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000366136110 277227839 /nfs/dbraw/zinc/22/78/39/277227839.db2.gz LXSFZGFAYQAZSH-HZSPNIEDSA-N 2 2 335.452 1.018 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000366136110 277227841 /nfs/dbraw/zinc/22/78/41/277227841.db2.gz LXSFZGFAYQAZSH-HZSPNIEDSA-N 2 2 335.452 1.018 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000366136110 277227843 /nfs/dbraw/zinc/22/78/43/277227843.db2.gz LXSFZGFAYQAZSH-HZSPNIEDSA-N 2 2 335.452 1.018 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)C[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000121685374 277302070 /nfs/dbraw/zinc/30/20/70/277302070.db2.gz YISDPXJSSORLQU-HNNXBMFYSA-N 2 2 346.479 1.335 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)C[NH+]2CCC(C)CC2)[nH+]cn1 ZINC000121685374 277302071 /nfs/dbraw/zinc/30/20/71/277302071.db2.gz YISDPXJSSORLQU-HNNXBMFYSA-N 2 2 346.479 1.335 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000175381879 277328255 /nfs/dbraw/zinc/32/82/55/277328255.db2.gz JDKNAUMBHXBCJR-FZKCQIBNSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000175381879 277328256 /nfs/dbraw/zinc/32/82/56/277328256.db2.gz JDKNAUMBHXBCJR-FZKCQIBNSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)[C@H](c1cccnc1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355028114 277386746 /nfs/dbraw/zinc/38/67/46/277386746.db2.gz FWPLHZSKZQWUOW-YJBOKZPZSA-N 2 2 346.475 1.396 20 0 EDADLP COC(=O)[C@H](c1cccnc1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355028114 277386747 /nfs/dbraw/zinc/38/67/47/277386747.db2.gz FWPLHZSKZQWUOW-YJBOKZPZSA-N 2 2 346.475 1.396 20 0 EDADLP Cc1csc(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)n1 ZINC000371741492 279041047 /nfs/dbraw/zinc/04/10/47/279041047.db2.gz YZGIXOHYDQQARX-UHFFFAOYSA-N 2 2 348.520 1.925 20 0 EDADLP Cc1csc(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)n1 ZINC000371741492 279041048 /nfs/dbraw/zinc/04/10/48/279041048.db2.gz YZGIXOHYDQQARX-UHFFFAOYSA-N 2 2 348.520 1.925 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000119612815 279346374 /nfs/dbraw/zinc/34/63/74/279346374.db2.gz XDRQEJSLQQFERN-KRWDZBQOSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000119612815 279346378 /nfs/dbraw/zinc/34/63/78/279346378.db2.gz XDRQEJSLQQFERN-KRWDZBQOSA-N 2 2 337.508 1.964 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000287159369 288169562 /nfs/dbraw/zinc/16/95/62/288169562.db2.gz OLBIDWUXSQRNOW-UONOGXRCSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000287189093 288176430 /nfs/dbraw/zinc/17/64/30/288176430.db2.gz PYSJSICJQJDRBX-DOTOQJQBSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)OC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374324930 288176556 /nfs/dbraw/zinc/17/65/56/288176556.db2.gz NRLOYJVRYLIBSZ-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374324930 288176560 /nfs/dbraw/zinc/17/65/60/288176560.db2.gz NRLOYJVRYLIBSZ-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248840979 280085991 /nfs/dbraw/zinc/08/59/91/280085991.db2.gz LKWHUSBHQBLCQH-CVEARBPZSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248840979 280085992 /nfs/dbraw/zinc/08/59/92/280085992.db2.gz LKWHUSBHQBLCQH-CVEARBPZSA-N 2 2 325.497 1.819 20 0 EDADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000105270498 280246971 /nfs/dbraw/zinc/24/69/71/280246971.db2.gz CGPSPLDQVNLZAU-BBWFWOEESA-N 2 2 340.512 1.515 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000291147568 289008604 /nfs/dbraw/zinc/00/86/04/289008604.db2.gz GUQCBABLASQKEX-CYBMUJFWSA-N 2 2 343.422 1.390 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000291147568 289008605 /nfs/dbraw/zinc/00/86/05/289008605.db2.gz GUQCBABLASQKEX-CYBMUJFWSA-N 2 2 343.422 1.390 20 0 EDADLP O=C1C[N@H+](Cc2cccc(N[C@H]3CC[NH+]4CCC[C@@H]4C3)c2)CCN1 ZINC000291190754 289015130 /nfs/dbraw/zinc/01/51/30/289015130.db2.gz LZLZANGSXIOXNT-ZWKOTPCHSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[N@@H+](Cc2cccc(N[C@H]3CC[NH+]4CCC[C@@H]4C3)c2)CCN1 ZINC000291190754 289015133 /nfs/dbraw/zinc/01/51/33/289015133.db2.gz LZLZANGSXIOXNT-ZWKOTPCHSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[NH+](Cc2cccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CCN1 ZINC000291190754 289015136 /nfs/dbraw/zinc/01/51/36/289015136.db2.gz LZLZANGSXIOXNT-ZWKOTPCHSA-N 2 2 328.460 1.657 20 0 EDADLP O=C1C[NH+](Cc2cccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CCN1 ZINC000291190754 289015138 /nfs/dbraw/zinc/01/51/38/289015138.db2.gz LZLZANGSXIOXNT-ZWKOTPCHSA-N 2 2 328.460 1.657 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)c1 ZINC000292355748 289324220 /nfs/dbraw/zinc/32/42/20/289324220.db2.gz FJBMVSBEEJIRFV-GFCCVEGCSA-N 2 2 349.353 1.152 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CCC([NH3+])CC1)c1c(F)cccc1F ZINC000417659893 289354972 /nfs/dbraw/zinc/35/49/72/289354972.db2.gz MAUMVKJOMXGRAX-CQSZACIVSA-N 2 2 326.391 1.700 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1c(F)cccc1F ZINC000188776199 289362851 /nfs/dbraw/zinc/36/28/51/289362851.db2.gz IUCZJGUCMNLAPG-CQSZACIVSA-N 2 2 349.385 1.366 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C1CCOCC1 ZINC000332901654 289383571 /nfs/dbraw/zinc/38/35/71/289383571.db2.gz XWYZFERWFUGPKI-GJZGRUSLSA-N 2 2 335.452 1.233 20 0 EDADLP O[C@H](COCC(F)(F)F)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000292585632 289388609 /nfs/dbraw/zinc/38/86/09/289388609.db2.gz ZVDAWPHODALIPQ-OLZOCXBDSA-N 2 2 333.354 1.755 20 0 EDADLP O[C@H](COCC(F)(F)F)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000292585632 289388610 /nfs/dbraw/zinc/38/86/10/289388610.db2.gz ZVDAWPHODALIPQ-OLZOCXBDSA-N 2 2 333.354 1.755 20 0 EDADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1)[NH+]1CCOCC1 ZINC000333207406 290250536 /nfs/dbraw/zinc/25/05/36/290250536.db2.gz ZBYJTQHJLVTDKV-KYJSFNMBSA-N 2 2 344.459 1.905 20 0 EDADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)CCC[NH2+]1 ZINC000423413013 293293720 /nfs/dbraw/zinc/29/37/20/293293720.db2.gz JGBQQBJBHNTACK-HNAYVOBHSA-N 2 2 333.476 1.784 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C)[C@@H](c3[nH+]ccn3C)C1)C2 ZINC000329554400 293619437 /nfs/dbraw/zinc/61/94/37/293619437.db2.gz GSORHMVUFNIDBI-GDBMZVCRSA-N 2 2 342.447 1.003 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CCn1cccn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262166853 294404948 /nfs/dbraw/zinc/40/49/48/294404948.db2.gz UITZEPNPIQSNSM-OAHLLOKOSA-N 2 2 342.447 1.178 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C[C@@H]1CCCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261853129 294405152 /nfs/dbraw/zinc/40/51/52/294405152.db2.gz YFNBHALRJSQBJZ-JKSUJKDBSA-N 2 2 346.475 1.850 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662315732 453032414 /nfs/dbraw/zinc/03/24/14/453032414.db2.gz GWQXAVZCMCJNNE-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662315732 453032423 /nfs/dbraw/zinc/03/24/23/453032423.db2.gz GWQXAVZCMCJNNE-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320748 453037985 /nfs/dbraw/zinc/03/79/85/453037985.db2.gz WCMIKFHYQQHSPY-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000367763743 295109215 /nfs/dbraw/zinc/10/92/15/295109215.db2.gz PUVXAFIIMGZVJH-BZSNNMDCSA-N 2 2 329.444 1.059 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000367763743 295109218 /nfs/dbraw/zinc/10/92/18/295109218.db2.gz PUVXAFIIMGZVJH-BZSNNMDCSA-N 2 2 329.444 1.059 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320748 453037992 /nfs/dbraw/zinc/03/79/92/453037992.db2.gz WCMIKFHYQQHSPY-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP COc1ccc([C@H](NC(=O)NC(C)(C)CC[NH3+])c2[nH+]ccn2C)cc1 ZINC000422594674 295243888 /nfs/dbraw/zinc/24/38/88/295243888.db2.gz SASOHUNRHXMGFX-HNNXBMFYSA-N 2 2 345.447 1.945 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000420074377 295249259 /nfs/dbraw/zinc/24/92/59/295249259.db2.gz ZJRJPOZJZUZAKD-MJBXVCDLSA-N 2 2 333.436 1.097 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000418661984 304527390 /nfs/dbraw/zinc/52/73/90/304527390.db2.gz BWKZKPUQSKTDMR-QAQDUYKDSA-N 2 2 345.491 1.674 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)CC12CCCCC2)[NH+]1CCSCC1 ZINC000366650364 298047792 /nfs/dbraw/zinc/04/77/92/298047792.db2.gz FRYNUJKJZFLXKU-OAHLLOKOSA-N 2 2 325.522 1.901 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)CC12CCCCC2)[NH+]1CCSCC1 ZINC000366650364 298047795 /nfs/dbraw/zinc/04/77/95/298047795.db2.gz FRYNUJKJZFLXKU-OAHLLOKOSA-N 2 2 325.522 1.901 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331869928 298123952 /nfs/dbraw/zinc/12/39/52/298123952.db2.gz LTJMJPWMAAFTRJ-GHMZBOCLSA-N 2 2 338.374 1.179 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331869928 298123955 /nfs/dbraw/zinc/12/39/55/298123955.db2.gz LTJMJPWMAAFTRJ-GHMZBOCLSA-N 2 2 338.374 1.179 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000662427879 453135800 /nfs/dbraw/zinc/13/58/00/453135800.db2.gz DGLKFWLIOHQFGZ-LBPRGKRZSA-N 2 2 344.228 1.232 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2F)[C@@H](C[NH3+])C1 ZINC000662427879 453135809 /nfs/dbraw/zinc/13/58/09/453135809.db2.gz DGLKFWLIOHQFGZ-LBPRGKRZSA-N 2 2 344.228 1.232 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000329058777 300235932 /nfs/dbraw/zinc/23/59/32/300235932.db2.gz YNFFOFUKZAJPBX-KDQZPGIASA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000329058777 300235934 /nfs/dbraw/zinc/23/59/34/300235934.db2.gz YNFFOFUKZAJPBX-KDQZPGIASA-N 2 2 331.464 1.154 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419908903 304708315 /nfs/dbraw/zinc/70/83/15/304708315.db2.gz FLMTUFRZNDINSY-GJZGRUSLSA-N 2 2 347.463 1.072 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCCN1CCc2ccccc21 ZINC000420372623 304752745 /nfs/dbraw/zinc/75/27/45/304752745.db2.gz QGQCWODMCBHBMO-SPYBWZPUSA-N 2 2 330.476 1.141 20 0 EDADLP CCc1ccc2[nH+]ccc(N3CCO[C@H](C[N@H+](C)CC(N)=O)C3)c2c1 ZINC000294860263 303150574 /nfs/dbraw/zinc/15/05/74/303150574.db2.gz CXTVBTRBPLSOFB-OAHLLOKOSA-N 2 2 342.443 1.420 20 0 EDADLP COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000294949588 303156310 /nfs/dbraw/zinc/15/63/10/303156310.db2.gz CXXTVYKCVCOAGO-KRWDZBQOSA-N 2 2 330.388 1.279 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000295210628 303189294 /nfs/dbraw/zinc/18/92/94/303189294.db2.gz AMKQACSWQRJNGI-FUHWJXTLSA-N 2 2 333.476 1.873 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCc1cscn1 ZINC000295666374 303249614 /nfs/dbraw/zinc/24/96/14/303249614.db2.gz FONVGYDDNAFHJA-ZFWWWQNUSA-N 2 2 337.468 1.964 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCc1cscn1 ZINC000295666374 303249615 /nfs/dbraw/zinc/24/96/15/303249615.db2.gz FONVGYDDNAFHJA-ZFWWWQNUSA-N 2 2 337.468 1.964 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2C)CC[N@@H+]1CCOC ZINC000295700845 303254964 /nfs/dbraw/zinc/25/49/64/303254964.db2.gz MJJRQKBKWGNCIX-WMZOPIPTSA-N 2 2 333.476 1.954 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2C)CC[N@H+]1CCOC ZINC000295700845 303254965 /nfs/dbraw/zinc/25/49/65/303254965.db2.gz MJJRQKBKWGNCIX-WMZOPIPTSA-N 2 2 333.476 1.954 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cn2cc[nH+]c12 ZINC000297130110 303363214 /nfs/dbraw/zinc/36/32/14/303363214.db2.gz YOBLKMGSJWTQMX-UHFFFAOYSA-N 2 2 343.431 1.971 20 0 EDADLP [NH3+][C@H](CC(F)F)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000345788564 303479619 /nfs/dbraw/zinc/47/96/19/303479619.db2.gz JBRVIUKPXLCRAL-ZIAGYGMSSA-N 2 2 327.375 1.159 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+](C)Cc1ccccc1 ZINC000456215006 447332393 /nfs/dbraw/zinc/33/23/93/447332393.db2.gz LBCMAJQYWNHSMZ-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@@H+](C)Cc1ccccc1 ZINC000456215006 447332395 /nfs/dbraw/zinc/33/23/95/447332395.db2.gz LBCMAJQYWNHSMZ-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)Cc1ccccc1 ZINC000456215006 447332408 /nfs/dbraw/zinc/33/24/08/447332408.db2.gz LBCMAJQYWNHSMZ-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)Cc1ccccc1 ZINC000456215006 447332413 /nfs/dbraw/zinc/33/24/13/447332413.db2.gz LBCMAJQYWNHSMZ-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@@H+]1CCc2ccccc2C1 ZINC000456221799 447337793 /nfs/dbraw/zinc/33/77/93/447337793.db2.gz YVRUSAQTVRKAKW-ZYSHUDEJSA-N 2 2 343.471 1.413 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+]1CCc2ccccc2C1 ZINC000456221799 447337799 /nfs/dbraw/zinc/33/77/99/447337799.db2.gz YVRUSAQTVRKAKW-ZYSHUDEJSA-N 2 2 343.471 1.413 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCc2ccccc2C1 ZINC000456221799 447337805 /nfs/dbraw/zinc/33/78/05/447337805.db2.gz YVRUSAQTVRKAKW-ZYSHUDEJSA-N 2 2 343.471 1.413 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCc2ccccc2C1 ZINC000456221799 447337811 /nfs/dbraw/zinc/33/78/11/447337811.db2.gz YVRUSAQTVRKAKW-ZYSHUDEJSA-N 2 2 343.471 1.413 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000458392442 447343982 /nfs/dbraw/zinc/34/39/82/447343982.db2.gz KRJZJXREFYVZDI-UHFFFAOYSA-N 2 2 333.411 1.663 20 0 EDADLP O=C(NCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000422958590 304880956 /nfs/dbraw/zinc/88/09/56/304880956.db2.gz POKIMHJRALWEDA-DLBZAZTESA-N 2 2 335.423 1.302 20 0 EDADLP Cc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1S(C)(=O)=O ZINC000423079979 304884534 /nfs/dbraw/zinc/88/45/34/304884534.db2.gz ZAOUJOFHNUNCOE-HIFRSBDPSA-N 2 2 326.462 1.255 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423102264 304886234 /nfs/dbraw/zinc/88/62/34/304886234.db2.gz DSSNLOYJLHRETK-OCCSQVGLSA-N 2 2 345.896 1.657 20 0 EDADLP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423411214 304894739 /nfs/dbraw/zinc/89/47/39/304894739.db2.gz TYTKJCCJTDBJJD-ZEGGKSINSA-N 2 2 329.213 1.745 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000423744313 304907516 /nfs/dbraw/zinc/90/75/16/304907516.db2.gz NSSLIWBEZKQBGB-YOEHRIQHSA-N 2 2 335.423 1.409 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000423744902 304907643 /nfs/dbraw/zinc/90/76/43/304907643.db2.gz OTYWPHRJJWDDJA-OAHLLOKOSA-N 2 2 349.450 1.800 20 0 EDADLP CCS(=O)(=O)c1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)s1 ZINC000425335526 304961702 /nfs/dbraw/zinc/96/17/02/304961702.db2.gz IEJCKGMAHUDJME-UHFFFAOYSA-N 2 2 342.490 1.631 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000429028384 305023088 /nfs/dbraw/zinc/02/30/88/305023088.db2.gz NHJSIDBKZHXWHO-IBGZPJMESA-N 2 2 347.459 1.348 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000429028384 305023089 /nfs/dbraw/zinc/02/30/89/305023089.db2.gz NHJSIDBKZHXWHO-IBGZPJMESA-N 2 2 347.459 1.348 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000429028384 305023090 /nfs/dbraw/zinc/02/30/90/305023090.db2.gz NHJSIDBKZHXWHO-IBGZPJMESA-N 2 2 347.459 1.348 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000429028384 305023091 /nfs/dbraw/zinc/02/30/91/305023091.db2.gz NHJSIDBKZHXWHO-IBGZPJMESA-N 2 2 347.459 1.348 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000429819246 305037759 /nfs/dbraw/zinc/03/77/59/305037759.db2.gz TZXLBQJRNGFWFY-JQHSSLGASA-N 2 2 345.487 1.768 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000429819246 305037760 /nfs/dbraw/zinc/03/77/60/305037760.db2.gz TZXLBQJRNGFWFY-JQHSSLGASA-N 2 2 345.487 1.768 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000429819246 305037761 /nfs/dbraw/zinc/03/77/61/305037761.db2.gz TZXLBQJRNGFWFY-JQHSSLGASA-N 2 2 345.487 1.768 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000429819246 305037762 /nfs/dbraw/zinc/03/77/62/305037762.db2.gz TZXLBQJRNGFWFY-JQHSSLGASA-N 2 2 345.487 1.768 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCCOc1ccc(Cl)cc1)C1CC1 ZINC000430568337 305056252 /nfs/dbraw/zinc/05/62/52/305056252.db2.gz KDXPSHMJLBCXNA-INIZCTEOSA-N 2 2 325.840 1.552 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430587300 305057327 /nfs/dbraw/zinc/05/73/27/305057327.db2.gz YYAGZCXPSVMHMT-CHWSQXEVSA-N 2 2 334.420 1.403 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430587300 305057328 /nfs/dbraw/zinc/05/73/28/305057328.db2.gz YYAGZCXPSVMHMT-CHWSQXEVSA-N 2 2 334.420 1.403 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430604027 305058267 /nfs/dbraw/zinc/05/82/67/305058267.db2.gz ZYGHBUMFZSKHSP-UONOGXRCSA-N 2 2 347.488 1.991 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430604027 305058268 /nfs/dbraw/zinc/05/82/68/305058268.db2.gz ZYGHBUMFZSKHSP-UONOGXRCSA-N 2 2 347.488 1.991 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)n(-c2ccccc2F)n1 ZINC000430612118 305059057 /nfs/dbraw/zinc/05/90/57/305059057.db2.gz QWNBVKLFVPYGJW-UHFFFAOYSA-N 2 2 345.422 1.942 20 0 EDADLP Cc1cc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)n(-c2ccccc2F)n1 ZINC000430612118 305059058 /nfs/dbraw/zinc/05/90/58/305059058.db2.gz QWNBVKLFVPYGJW-UHFFFAOYSA-N 2 2 345.422 1.942 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430627509 305059944 /nfs/dbraw/zinc/05/99/44/305059944.db2.gz MEELNYDBRWJPST-GOSISDBHSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430627509 305059945 /nfs/dbraw/zinc/05/99/45/305059945.db2.gz MEELNYDBRWJPST-GOSISDBHSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430635127 305060623 /nfs/dbraw/zinc/06/06/23/305060623.db2.gz FWOCDDZUPCPLAT-CQSZACIVSA-N 2 2 332.448 1.170 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000430653333 305061350 /nfs/dbraw/zinc/06/13/50/305061350.db2.gz YVQOGPSPIAENHI-ZDUSSCGKSA-N 2 2 345.365 1.872 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000430653333 305061351 /nfs/dbraw/zinc/06/13/51/305061351.db2.gz YVQOGPSPIAENHI-ZDUSSCGKSA-N 2 2 345.365 1.872 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000430659781 305061629 /nfs/dbraw/zinc/06/16/29/305061629.db2.gz BUKGEPVKPIDDIC-KBPBESRZSA-N 2 2 335.448 1.962 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000430659781 305061630 /nfs/dbraw/zinc/06/16/30/305061630.db2.gz BUKGEPVKPIDDIC-KBPBESRZSA-N 2 2 335.448 1.962 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)COC2C[NH2+]C2)C[C@H](C)O1 ZINC000430681576 305062174 /nfs/dbraw/zinc/06/21/74/305062174.db2.gz FDBGVNWBJTWRDC-KBPBESRZSA-N 2 2 333.432 1.223 20 0 EDADLP C[N@H+](CC(=O)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)[C@H]1CCSC1 ZINC000430731700 305063591 /nfs/dbraw/zinc/06/35/91/305063591.db2.gz NDNCLBIEVNPRNY-CABCVRRESA-N 2 2 348.516 1.973 20 0 EDADLP C[N@@H+](CC(=O)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)[C@H]1CCSC1 ZINC000430731700 305063592 /nfs/dbraw/zinc/06/35/92/305063592.db2.gz NDNCLBIEVNPRNY-CABCVRRESA-N 2 2 348.516 1.973 20 0 EDADLP COCC[C@]1(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]C1 ZINC000430872128 305066606 /nfs/dbraw/zinc/06/66/06/305066606.db2.gz ZPKDCNQVJQZCHB-AUUYWEPGSA-N 2 2 348.491 1.628 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430960996 305071079 /nfs/dbraw/zinc/07/10/79/305071079.db2.gz AXWOLMNDAKSPAZ-FZMZJTMJSA-N 2 2 327.375 1.573 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430960996 305071080 /nfs/dbraw/zinc/07/10/80/305071080.db2.gz AXWOLMNDAKSPAZ-FZMZJTMJSA-N 2 2 327.375 1.573 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430967012 305071713 /nfs/dbraw/zinc/07/17/13/305071713.db2.gz QYSDSBMHNOXPOJ-CYBMUJFWSA-N 2 2 325.840 1.376 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430967012 305071714 /nfs/dbraw/zinc/07/17/14/305071714.db2.gz QYSDSBMHNOXPOJ-CYBMUJFWSA-N 2 2 325.840 1.376 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000433139580 305101528 /nfs/dbraw/zinc/10/15/28/305101528.db2.gz XRMVWZPRESBJKK-SFHVURJKSA-N 2 2 349.475 1.245 20 0 EDADLP CC(C)[C@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000433838397 305113644 /nfs/dbraw/zinc/11/36/44/305113644.db2.gz KELSGWFXQALAMY-DLBZAZTESA-N 2 2 325.497 1.532 20 0 EDADLP CC(C)[C@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000433838397 305113645 /nfs/dbraw/zinc/11/36/45/305113645.db2.gz KELSGWFXQALAMY-DLBZAZTESA-N 2 2 325.497 1.532 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000433939906 305115237 /nfs/dbraw/zinc/11/52/37/305115237.db2.gz IUEWYTWEYPJZPO-BRWVUGGUSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000433939906 305115238 /nfs/dbraw/zinc/11/52/38/305115238.db2.gz IUEWYTWEYPJZPO-BRWVUGGUSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000433944243 305115564 /nfs/dbraw/zinc/11/55/64/305115564.db2.gz VBDWDLVMPFYUAR-JKSUJKDBSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000433944243 305115565 /nfs/dbraw/zinc/11/55/65/305115565.db2.gz VBDWDLVMPFYUAR-JKSUJKDBSA-N 2 2 326.485 1.080 20 0 EDADLP Cc1nc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc(N(C)C)[nH+]1 ZINC000434211283 305119038 /nfs/dbraw/zinc/11/90/38/305119038.db2.gz HWQFPYDPDONDJX-INIZCTEOSA-N 2 2 341.463 1.599 20 0 EDADLP Cc1nc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc(N(C)C)[nH+]1 ZINC000434211283 305119039 /nfs/dbraw/zinc/11/90/39/305119039.db2.gz HWQFPYDPDONDJX-INIZCTEOSA-N 2 2 341.463 1.599 20 0 EDADLP Cc1nc(N(C)C)nc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000434211283 305119040 /nfs/dbraw/zinc/11/90/40/305119040.db2.gz HWQFPYDPDONDJX-INIZCTEOSA-N 2 2 341.463 1.599 20 0 EDADLP Cc1nc(N(C)C)nc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000434211283 305119041 /nfs/dbraw/zinc/11/90/41/305119041.db2.gz HWQFPYDPDONDJX-INIZCTEOSA-N 2 2 341.463 1.599 20 0 EDADLP CC(C)[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCCC1 ZINC000434460379 305123152 /nfs/dbraw/zinc/12/31/52/305123152.db2.gz OLFVQABUCATVRF-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491378 305123386 /nfs/dbraw/zinc/12/33/86/305123386.db2.gz IQNBLHIQHSSNFO-AEFFLSMTSA-N 2 2 328.460 1.599 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491378 305123387 /nfs/dbraw/zinc/12/33/87/305123387.db2.gz IQNBLHIQHSSNFO-AEFFLSMTSA-N 2 2 328.460 1.599 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491378 305123388 /nfs/dbraw/zinc/12/33/88/305123388.db2.gz IQNBLHIQHSSNFO-AEFFLSMTSA-N 2 2 328.460 1.599 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491378 305123389 /nfs/dbraw/zinc/12/33/89/305123389.db2.gz IQNBLHIQHSSNFO-AEFFLSMTSA-N 2 2 328.460 1.599 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000434657495 305126581 /nfs/dbraw/zinc/12/65/81/305126581.db2.gz SRUKZOUDMNGXFR-QZTJIDSGSA-N 2 2 335.492 1.430 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000434657495 305126582 /nfs/dbraw/zinc/12/65/82/305126582.db2.gz SRUKZOUDMNGXFR-QZTJIDSGSA-N 2 2 335.492 1.430 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559896 305142312 /nfs/dbraw/zinc/14/23/12/305142312.db2.gz RNMBQJRRQGWYLF-OAHLLOKOSA-N 3 2 333.480 1.231 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559896 305142313 /nfs/dbraw/zinc/14/23/13/305142313.db2.gz RNMBQJRRQGWYLF-OAHLLOKOSA-N 3 2 333.480 1.231 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@H]1CCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000435571521 305142814 /nfs/dbraw/zinc/14/28/14/305142814.db2.gz WEYSLLMIPMAYHC-CVEARBPZSA-N 2 2 346.475 1.943 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435622008 305143765 /nfs/dbraw/zinc/14/37/65/305143765.db2.gz BFMTXVNBOQBIAP-QGZVFWFLSA-N 2 2 349.475 1.402 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435622008 305143766 /nfs/dbraw/zinc/14/37/66/305143766.db2.gz BFMTXVNBOQBIAP-QGZVFWFLSA-N 2 2 349.475 1.402 20 0 EDADLP COC[C@@H]1C[NH+](CC(C)C[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439287933 305196115 /nfs/dbraw/zinc/19/61/15/305196115.db2.gz RUYHIMVYOAGEHA-XSLAGTTESA-N 2 2 344.496 1.094 20 0 EDADLP COC[C@@H]1C[NH+](CC(C)C[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439287933 305196116 /nfs/dbraw/zinc/19/61/16/305196116.db2.gz RUYHIMVYOAGEHA-XSLAGTTESA-N 2 2 344.496 1.094 20 0 EDADLP C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000442950887 305231727 /nfs/dbraw/zinc/23/17/27/305231727.db2.gz MKRVUZPRAJHYMM-OAHLLOKOSA-N 2 2 348.472 1.504 20 0 EDADLP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443006288 305232962 /nfs/dbraw/zinc/23/29/62/305232962.db2.gz IFOVQSYYPCXVBL-MRXNPFEDSA-N 2 2 348.472 1.646 20 0 EDADLP C[NH+](C)C1(CNC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)CCC1 ZINC000446619102 305268078 /nfs/dbraw/zinc/26/80/78/305268078.db2.gz ZVEKLQUUUWLIPW-MRXNPFEDSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+](C)C1(CNC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC000446619102 305268079 /nfs/dbraw/zinc/26/80/79/305268079.db2.gz ZVEKLQUUUWLIPW-MRXNPFEDSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CN(C)CCN2C)CC1 ZINC000449144123 305307883 /nfs/dbraw/zinc/30/78/83/305307883.db2.gz YICGQWYYGZZXLJ-NQIIRXRSSA-N 2 2 344.547 1.917 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000449315198 305311122 /nfs/dbraw/zinc/31/11/22/305311122.db2.gz HGYYWBGYKHIDME-KBAYOESNSA-N 2 2 331.460 1.340 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000487946060 305554151 /nfs/dbraw/zinc/55/41/51/305554151.db2.gz KYZAHGAYPKUNHC-GJZGRUSLSA-N 2 2 343.431 1.927 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414908263 447353330 /nfs/dbraw/zinc/35/33/30/447353330.db2.gz BEBXEACAVHACDI-HIFRSBDPSA-N 2 2 335.448 1.298 20 0 EDADLP C[NH+](C)CC(=O)Nc1cc(NC(=O)C[NH+](C)C)cc(C(C)(C)C)c1 ZINC000456286123 447355046 /nfs/dbraw/zinc/35/50/46/447355046.db2.gz FTGFAFGXQDUBSA-UHFFFAOYSA-N 2 2 334.464 1.984 20 0 EDADLP C[NH+](C)CC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000425918428 447358873 /nfs/dbraw/zinc/35/88/73/447358873.db2.gz HSURCTCVPUTUIP-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP C[NH+](C)CC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000425918428 447358878 /nfs/dbraw/zinc/35/88/78/447358878.db2.gz HSURCTCVPUTUIP-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP CCN1C[C@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1=O ZINC000521995930 305796996 /nfs/dbraw/zinc/79/69/96/305796996.db2.gz OEWZHLPCDPAHGZ-HUUCEWRRSA-N 2 2 330.432 1.224 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000524319820 305814943 /nfs/dbraw/zinc/81/49/43/305814943.db2.gz OEVIWMJIVMQRQD-UHFFFAOYSA-N 2 2 346.479 1.111 20 0 EDADLP COCCc1noc(CC2CC[NH+](CCc3c[nH+]cn3C)CC2)n1 ZINC000528621189 305880636 /nfs/dbraw/zinc/88/06/36/305880636.db2.gz UPVPBUNROOVCFK-UHFFFAOYSA-N 2 2 333.436 1.489 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(N2CCCC2)nc1 ZINC000537691886 306028801 /nfs/dbraw/zinc/02/88/01/306028801.db2.gz CTHUNWGYWMXKPI-KZNAEPCWSA-N 2 2 345.491 1.760 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(N2CCCC2)nc1 ZINC000537691886 306028802 /nfs/dbraw/zinc/02/88/02/306028802.db2.gz CTHUNWGYWMXKPI-KZNAEPCWSA-N 2 2 345.491 1.760 20 0 EDADLP COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000540076911 306038863 /nfs/dbraw/zinc/03/88/63/306038863.db2.gz IGJKMQOAXPZHFR-KRWDZBQOSA-N 2 2 331.460 1.476 20 0 EDADLP COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000540076911 306038864 /nfs/dbraw/zinc/03/88/64/306038864.db2.gz IGJKMQOAXPZHFR-KRWDZBQOSA-N 2 2 331.460 1.476 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1nccn1C ZINC000540406329 306039590 /nfs/dbraw/zinc/03/95/90/306039590.db2.gz POTMOBVYONEQFL-HNNXBMFYSA-N 2 2 341.459 1.659 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000542697721 306056912 /nfs/dbraw/zinc/05/69/12/306056912.db2.gz RPWWOVCFLJJODJ-OAHLLOKOSA-N 2 2 334.464 1.235 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000542697721 306056913 /nfs/dbraw/zinc/05/69/13/306056913.db2.gz RPWWOVCFLJJODJ-OAHLLOKOSA-N 2 2 334.464 1.235 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)Cc3c[nH+]cn3C)CC2)oc1C ZINC000548519484 306130158 /nfs/dbraw/zinc/13/01/58/306130158.db2.gz ZYTFCFWKHMPEJT-UHFFFAOYSA-N 2 2 345.447 1.596 20 0 EDADLP CC(C)(CNC(=O)C(=O)NCCCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000550364365 306152584 /nfs/dbraw/zinc/15/25/84/306152584.db2.gz AQUCMLPYNGSZLW-UHFFFAOYSA-N 2 2 349.479 1.160 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1ccccc1F ZINC000557137769 306224839 /nfs/dbraw/zinc/22/48/39/306224839.db2.gz HXNHDGXYEKAJEB-MRXNPFEDSA-N 2 2 343.406 1.868 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000414949719 447371468 /nfs/dbraw/zinc/37/14/68/447371468.db2.gz DCOXGPBTNGVOFM-GOEBONIOSA-N 2 2 332.448 1.768 20 0 EDADLP CC[C@@H](CO)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000458487182 447385084 /nfs/dbraw/zinc/38/50/84/447385084.db2.gz WBEDNZUDZUNBFK-INIZCTEOSA-N 2 2 340.512 1.349 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+](CCO)[C@H]3CCO[C@@H]3C)sc2C1 ZINC000449676079 447385500 /nfs/dbraw/zinc/38/55/00/447385500.db2.gz FBCVIOVJSLHGMV-HIFRSBDPSA-N 2 2 339.505 1.881 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+](CCO)[C@H]3CCO[C@@H]3C)sc2C1 ZINC000449676079 447385506 /nfs/dbraw/zinc/38/55/06/447385506.db2.gz FBCVIOVJSLHGMV-HIFRSBDPSA-N 2 2 339.505 1.881 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+](CCO)[C@H]3CCO[C@@H]3C)sc2C1 ZINC000449676079 447385511 /nfs/dbraw/zinc/38/55/11/447385511.db2.gz FBCVIOVJSLHGMV-HIFRSBDPSA-N 2 2 339.505 1.881 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+](CCO)[C@H]3CCO[C@@H]3C)sc2C1 ZINC000449676079 447385517 /nfs/dbraw/zinc/38/55/17/447385517.db2.gz FBCVIOVJSLHGMV-HIFRSBDPSA-N 2 2 339.505 1.881 20 0 EDADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000415110009 447389109 /nfs/dbraw/zinc/38/91/09/447389109.db2.gz PTLPGILTBSJODC-ZWKOTPCHSA-N 2 2 333.476 1.420 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCSC3)CC2)CC1 ZINC000422179811 447389620 /nfs/dbraw/zinc/38/96/20/447389620.db2.gz LNLQBJHAXRFVDT-OAHLLOKOSA-N 2 2 340.537 1.694 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCSC3)CC2)CC1 ZINC000422179811 447389629 /nfs/dbraw/zinc/38/96/29/447389629.db2.gz LNLQBJHAXRFVDT-OAHLLOKOSA-N 2 2 340.537 1.694 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415255156 447401796 /nfs/dbraw/zinc/40/17/96/447401796.db2.gz MAJRQWOMDSTXTO-AWEZNQCLSA-N 2 2 333.436 1.229 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415418906 447416168 /nfs/dbraw/zinc/41/61/68/447416168.db2.gz SXHCTLYTIFQPEU-CYBMUJFWSA-N 2 2 342.399 1.784 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCN2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000458586551 447422349 /nfs/dbraw/zinc/42/23/49/447422349.db2.gz IUFMBJXFUBRUIL-UHFFFAOYSA-N 2 2 333.480 1.524 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)C(=O)NCCC(C)C)CC2)c1 ZINC000104717114 441200262 /nfs/dbraw/zinc/20/02/62/441200262.db2.gz GOMRUHQDDJEQFY-OAHLLOKOSA-N 2 2 334.464 1.763 20 0 EDADLP CCSc1nnc([C@@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000072205688 441206021 /nfs/dbraw/zinc/20/60/21/441206021.db2.gz CJRPTASLLOHWPC-CYBMUJFWSA-N 2 2 327.498 1.735 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCOc1ccc(F)cc1 ZINC000080961735 441212493 /nfs/dbraw/zinc/21/24/93/441212493.db2.gz ZYSVEELEVMEEJZ-AWEZNQCLSA-N 2 2 346.406 1.923 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCOc1ccc(F)cc1 ZINC000080961735 441212499 /nfs/dbraw/zinc/21/24/99/441212499.db2.gz ZYSVEELEVMEEJZ-AWEZNQCLSA-N 2 2 346.406 1.923 20 0 EDADLP CCCCOCCNC(=O)C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968388 441213762 /nfs/dbraw/zinc/21/37/62/441213762.db2.gz XTDXRWFEJDGVIR-UHFFFAOYSA-N 2 2 348.491 1.915 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968388 441213769 /nfs/dbraw/zinc/21/37/69/441213769.db2.gz XTDXRWFEJDGVIR-UHFFFAOYSA-N 2 2 348.491 1.915 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964930 441244608 /nfs/dbraw/zinc/24/46/08/441244608.db2.gz CCDBFJQLNXBLIP-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047964930 441244611 /nfs/dbraw/zinc/24/46/11/441244611.db2.gz CCDBFJQLNXBLIP-AEFFLSMTSA-N 2 2 346.475 1.281 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCSCC3)CC2)c1 ZINC000047992636 441247205 /nfs/dbraw/zinc/24/72/05/441247205.db2.gz YLXALDVOPBYMOK-UHFFFAOYSA-N 2 2 333.501 1.688 20 0 EDADLP O=C(C[N@@H+]1CCC12CCC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000081544987 441286219 /nfs/dbraw/zinc/28/62/19/441286219.db2.gz YQLQDXJGHBZDFO-UHFFFAOYSA-N 2 2 343.471 1.763 20 0 EDADLP O=C(C[N@H+]1CCC12CCC2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000081544987 441286223 /nfs/dbraw/zinc/28/62/23/441286223.db2.gz YQLQDXJGHBZDFO-UHFFFAOYSA-N 2 2 343.471 1.763 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000073569109 441326327 /nfs/dbraw/zinc/32/63/27/441326327.db2.gz DKFPLPCTVMKEEW-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000073569109 441326329 /nfs/dbraw/zinc/32/63/29/441326329.db2.gz DKFPLPCTVMKEEW-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000048413980 441304019 /nfs/dbraw/zinc/30/40/19/441304019.db2.gz HDRJISHSERKMCF-UHFFFAOYSA-N 2 2 329.448 1.908 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000081724674 441305005 /nfs/dbraw/zinc/30/50/05/441305005.db2.gz JQMBFVUDXIAJNP-INIZCTEOSA-N 3 2 335.496 1.493 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)n1C ZINC000083702915 441368844 /nfs/dbraw/zinc/36/88/44/441368844.db2.gz QLHJSTKTWHUBRM-UHFFFAOYSA-N 2 2 345.451 1.061 20 0 EDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000074221387 441410349 /nfs/dbraw/zinc/41/03/49/441410349.db2.gz UDQXDYZAGZUNOM-UHFFFAOYSA-N 2 2 343.431 1.672 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[NH+]1CCCCCC1 ZINC000074425487 441433895 /nfs/dbraw/zinc/43/38/95/441433895.db2.gz WNUPIJKSNOQMST-INIZCTEOSA-N 2 2 346.475 1.799 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000052871209 441483217 /nfs/dbraw/zinc/48/32/17/441483217.db2.gz KFJWNFNPAYNFJL-IEBWSBKVSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CO)CC1 ZINC000052871209 441483220 /nfs/dbraw/zinc/48/32/20/441483220.db2.gz KFJWNFNPAYNFJL-IEBWSBKVSA-N 2 2 345.487 1.739 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000089393809 441545513 /nfs/dbraw/zinc/54/55/13/441545513.db2.gz CVXOFLMXZXHLQE-INIZCTEOSA-N 2 2 339.443 1.873 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC(=O)NCc1ccccc1 ZINC000109796330 441507475 /nfs/dbraw/zinc/50/74/75/441507475.db2.gz KSTKTPHQUKFHSN-UHFFFAOYSA-N 2 2 341.415 1.546 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCSC1 ZINC000089936506 441598651 /nfs/dbraw/zinc/59/86/51/441598651.db2.gz DWSHAYNYVNSTQB-OAHLLOKOSA-N 2 2 339.530 1.830 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCSC1 ZINC000089936506 441598654 /nfs/dbraw/zinc/59/86/54/441598654.db2.gz DWSHAYNYVNSTQB-OAHLLOKOSA-N 2 2 339.530 1.830 20 0 EDADLP c1nnc(C2CC2)n1CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000090034030 441616482 /nfs/dbraw/zinc/61/64/82/441616482.db2.gz NETHFDPLAIWWNI-UHFFFAOYSA-N 2 2 326.448 1.805 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000114170685 441638601 /nfs/dbraw/zinc/63/86/01/441638601.db2.gz JABLHGPSPWCGBP-CQSZACIVSA-N 2 2 345.443 1.945 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000114478361 441661848 /nfs/dbraw/zinc/66/18/48/441661848.db2.gz ZZXRGEHTTNWAAA-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000114478361 441661852 /nfs/dbraw/zinc/66/18/52/441661852.db2.gz ZZXRGEHTTNWAAA-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000114818151 441686089 /nfs/dbraw/zinc/68/60/89/441686089.db2.gz IWEBZIAJQZFNQF-OAHLLOKOSA-N 2 2 328.420 1.367 20 0 EDADLP CC[C@@H]1C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000378548859 447441485 /nfs/dbraw/zinc/44/14/85/447441485.db2.gz JGSAHYXNUGARQJ-BPQIPLTHSA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@@H]1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000378548859 447441490 /nfs/dbraw/zinc/44/14/90/447441490.db2.gz JGSAHYXNUGARQJ-BPQIPLTHSA-N 2 2 337.508 1.819 20 0 EDADLP COC(=O)c1oc([C@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1C ZINC000091632004 441723201 /nfs/dbraw/zinc/72/32/01/441723201.db2.gz BZIKFAGAUWJOKO-ZDUSSCGKSA-N 2 2 332.404 1.991 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000173359784 441723426 /nfs/dbraw/zinc/72/34/26/441723426.db2.gz FKJIWRSONBKCMI-UHFFFAOYSA-N 2 2 331.460 1.775 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253716 441783938 /nfs/dbraw/zinc/78/39/38/441783938.db2.gz LNNDEGUSASCWPZ-MRXNPFEDSA-N 2 2 333.476 1.927 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253716 441783944 /nfs/dbraw/zinc/78/39/44/441783944.db2.gz LNNDEGUSASCWPZ-MRXNPFEDSA-N 2 2 333.476 1.927 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253716 441783949 /nfs/dbraw/zinc/78/39/49/441783949.db2.gz LNNDEGUSASCWPZ-MRXNPFEDSA-N 2 2 333.476 1.927 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253716 441783955 /nfs/dbraw/zinc/78/39/55/441783955.db2.gz LNNDEGUSASCWPZ-MRXNPFEDSA-N 2 2 333.476 1.927 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)CCO1 ZINC000068448219 441800530 /nfs/dbraw/zinc/80/05/30/441800530.db2.gz MWCXADWCAGLGHG-AWEZNQCLSA-N 2 2 328.416 1.660 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)CCO1 ZINC000068448219 441800533 /nfs/dbraw/zinc/80/05/33/441800533.db2.gz MWCXADWCAGLGHG-AWEZNQCLSA-N 2 2 328.416 1.660 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)cc1 ZINC000173618821 441804953 /nfs/dbraw/zinc/80/49/53/441804953.db2.gz RFURFGPYSCFKDQ-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)cc1 ZINC000173618821 441804958 /nfs/dbraw/zinc/80/49/58/441804958.db2.gz RFURFGPYSCFKDQ-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000173640559 441811228 /nfs/dbraw/zinc/81/12/28/441811228.db2.gz YYEXAPGPHYAUOQ-MRXNPFEDSA-N 2 2 347.459 1.758 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000173640559 441811232 /nfs/dbraw/zinc/81/12/32/441811232.db2.gz YYEXAPGPHYAUOQ-MRXNPFEDSA-N 2 2 347.459 1.758 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000173640559 441811238 /nfs/dbraw/zinc/81/12/38/441811238.db2.gz YYEXAPGPHYAUOQ-MRXNPFEDSA-N 2 2 347.459 1.758 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000173640559 441811244 /nfs/dbraw/zinc/81/12/44/441811244.db2.gz YYEXAPGPHYAUOQ-MRXNPFEDSA-N 2 2 347.459 1.758 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000093189670 441864138 /nfs/dbraw/zinc/86/41/38/441864138.db2.gz UHBHTORWDAUCAM-IRXDYDNUSA-N 2 2 349.475 1.722 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000093189670 441864144 /nfs/dbraw/zinc/86/41/44/441864144.db2.gz UHBHTORWDAUCAM-IRXDYDNUSA-N 2 2 349.475 1.722 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000068597126 441829387 /nfs/dbraw/zinc/82/93/87/441829387.db2.gz BYQACSTXYCPSGL-CQSZACIVSA-N 2 2 335.452 1.058 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NC[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000092886239 441836032 /nfs/dbraw/zinc/83/60/32/441836032.db2.gz JLZPLTSIYPGBJT-HNNXBMFYSA-N 2 2 330.436 1.739 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000092886239 441836037 /nfs/dbraw/zinc/83/60/37/441836037.db2.gz JLZPLTSIYPGBJT-HNNXBMFYSA-N 2 2 330.436 1.739 20 0 EDADLP CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000077770037 441856105 /nfs/dbraw/zinc/85/61/05/441856105.db2.gz FPOTXYDOJQWQQL-UHFFFAOYSA-N 2 2 342.399 1.880 20 0 EDADLP CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000077770037 441856111 /nfs/dbraw/zinc/85/61/11/441856111.db2.gz FPOTXYDOJQWQQL-UHFFFAOYSA-N 2 2 342.399 1.880 20 0 EDADLP COc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000123835087 441900430 /nfs/dbraw/zinc/90/04/30/441900430.db2.gz NISJGHBGTUOFPH-UHFFFAOYSA-N 2 2 349.479 1.888 20 0 EDADLP COc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000123835087 441900438 /nfs/dbraw/zinc/90/04/38/441900438.db2.gz NISJGHBGTUOFPH-UHFFFAOYSA-N 2 2 349.479 1.888 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000119238648 441924575 /nfs/dbraw/zinc/92/45/75/441924575.db2.gz PABVODYTLHEEOO-UHFFFAOYSA-N 2 2 333.436 1.408 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123286808 441882811 /nfs/dbraw/zinc/88/28/11/441882811.db2.gz XACOZJKLOYHPGI-CJNGLKHVSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123286808 441882815 /nfs/dbraw/zinc/88/28/15/441882815.db2.gz XACOZJKLOYHPGI-CJNGLKHVSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123286808 441882817 /nfs/dbraw/zinc/88/28/17/441882817.db2.gz XACOZJKLOYHPGI-CJNGLKHVSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123286808 441882821 /nfs/dbraw/zinc/88/28/21/441882821.db2.gz XACOZJKLOYHPGI-CJNGLKHVSA-N 2 2 333.432 1.826 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000123438225 441887330 /nfs/dbraw/zinc/88/73/30/441887330.db2.gz WFZMBRQGXVSNDS-YOEHRIQHSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@H+]1C ZINC000123438225 441887335 /nfs/dbraw/zinc/88/73/35/441887335.db2.gz WFZMBRQGXVSNDS-YOEHRIQHSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[NH+]1C ZINC000123438225 441887339 /nfs/dbraw/zinc/88/73/39/441887339.db2.gz WFZMBRQGXVSNDS-YOEHRIQHSA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[NH+]1C ZINC000123438225 441887344 /nfs/dbraw/zinc/88/73/44/441887344.db2.gz WFZMBRQGXVSNDS-YOEHRIQHSA-N 2 2 346.475 1.741 20 0 EDADLP CCC(CC)[C@H](CNC(=O)C(=O)Nc1c[nH+]ccc1OC)[NH+](C)C ZINC000118098537 441887417 /nfs/dbraw/zinc/88/74/17/441887417.db2.gz RNVBFUWLIRUFNC-AWEZNQCLSA-N 2 2 336.436 1.511 20 0 EDADLP COCCNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000078548485 441943680 /nfs/dbraw/zinc/94/36/80/441943680.db2.gz DAXBHGRURFSMNI-UHFFFAOYSA-N 2 2 342.443 1.428 20 0 EDADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174657675 441951406 /nfs/dbraw/zinc/95/14/06/441951406.db2.gz UCLTUXHRPZTDHL-QGZVFWFLSA-N 2 2 335.448 1.676 20 0 EDADLP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174657675 441951413 /nfs/dbraw/zinc/95/14/13/441951413.db2.gz UCLTUXHRPZTDHL-QGZVFWFLSA-N 2 2 335.448 1.676 20 0 EDADLP CCn1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1=O ZINC000175250761 442026104 /nfs/dbraw/zinc/02/61/04/442026104.db2.gz WYVWSJTUDHQRNT-UHFFFAOYSA-N 2 2 335.452 1.016 20 0 EDADLP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000120561150 442094689 /nfs/dbraw/zinc/09/46/89/442094689.db2.gz ROEUQKOJNDOWLV-NUWOQIAWSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000120561481 442094846 /nfs/dbraw/zinc/09/48/46/442094846.db2.gz ROEUQKOJNDOWLV-XNIRIUNOSA-N 2 2 340.512 1.515 20 0 EDADLP CCOc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162812194 442124888 /nfs/dbraw/zinc/12/48/88/442124888.db2.gz DZIYMKNYKDFKOK-QGZVFWFLSA-N 2 2 331.460 1.824 20 0 EDADLP CCOc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162812194 442124890 /nfs/dbraw/zinc/12/48/90/442124890.db2.gz DZIYMKNYKDFKOK-QGZVFWFLSA-N 2 2 331.460 1.824 20 0 EDADLP C[N@H+](CC(=O)Nc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000163080318 442142829 /nfs/dbraw/zinc/14/28/29/442142829.db2.gz PFBZOYOENQBNAV-MRXNPFEDSA-N 2 2 349.500 1.895 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000163080318 442142832 /nfs/dbraw/zinc/14/28/32/442142832.db2.gz PFBZOYOENQBNAV-MRXNPFEDSA-N 2 2 349.500 1.895 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn2ccccc2[nH+]1)C[NH+]1CCCC1 ZINC000079953554 442100480 /nfs/dbraw/zinc/10/04/80/442100480.db2.gz NZAJMKFQIPQACH-OAHLLOKOSA-N 2 2 329.448 1.908 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCn1cc[nH+]c1 ZINC000176041291 442165724 /nfs/dbraw/zinc/16/57/24/442165724.db2.gz HSCHZJMHIYYGLS-UHFFFAOYSA-N 2 2 329.404 1.008 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)C1CC1 ZINC000152114634 442166967 /nfs/dbraw/zinc/16/69/67/442166967.db2.gz GQVHGDORXZMZJR-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2OC)CC1)C1CC1 ZINC000152114634 442166969 /nfs/dbraw/zinc/16/69/69/442166969.db2.gz GQVHGDORXZMZJR-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N(C)CC[NH+](C)C)[NH+]2CCOCC2)c1 ZINC000176206271 442190696 /nfs/dbraw/zinc/19/06/96/442190696.db2.gz OQEQUYLGATWHIR-GOSISDBHSA-N 2 2 348.491 1.571 20 0 EDADLP O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)N1CC[NH+](C2CC2)CC1 ZINC000164693862 442200848 /nfs/dbraw/zinc/20/08/48/442200848.db2.gz VIPFBCJOBNGLNQ-OAHLLOKOSA-N 2 2 329.448 1.540 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000164676422 442201088 /nfs/dbraw/zinc/20/10/88/442201088.db2.gz ABECWGAKCLWRNC-FMKPAKJESA-N 2 2 334.464 1.685 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4[C@H](C3)C4(C)C)CC2)CC1 ZINC000176382163 442216612 /nfs/dbraw/zinc/21/66/12/442216612.db2.gz UDDZCTKXWHYBJB-CALCHBBNSA-N 2 2 334.508 1.842 20 0 EDADLP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152495135 442220011 /nfs/dbraw/zinc/22/00/11/442220011.db2.gz YNDMFGVXEWVFKR-KSZLIROESA-N 2 2 339.524 1.972 20 0 EDADLP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152495135 442220013 /nfs/dbraw/zinc/22/00/13/442220013.db2.gz YNDMFGVXEWVFKR-KSZLIROESA-N 2 2 339.524 1.972 20 0 EDADLP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152495135 442220014 /nfs/dbraw/zinc/22/00/14/442220014.db2.gz YNDMFGVXEWVFKR-KSZLIROESA-N 2 2 339.524 1.972 20 0 EDADLP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152495135 442220016 /nfs/dbraw/zinc/22/00/16/442220016.db2.gz YNDMFGVXEWVFKR-KSZLIROESA-N 2 2 339.524 1.972 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCO[C@H](C)C3)CC2)c1 ZINC000170766681 442260705 /nfs/dbraw/zinc/26/07/05/442260705.db2.gz CNXKGBUFUFOYFW-GOSISDBHSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCO[C@H](C)C3)CC2)c1 ZINC000170766681 442260708 /nfs/dbraw/zinc/26/07/08/442260708.db2.gz CNXKGBUFUFOYFW-GOSISDBHSA-N 2 2 345.487 1.750 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000153189395 442266701 /nfs/dbraw/zinc/26/67/01/442266701.db2.gz ROKYCTSINSWVPN-QRVBRYPASA-N 3 2 341.540 1.681 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000153189395 442266702 /nfs/dbraw/zinc/26/67/02/442266702.db2.gz ROKYCTSINSWVPN-QRVBRYPASA-N 3 2 341.540 1.681 20 0 EDADLP C[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)C[NH+]1CCOCC1 ZINC000153229549 442269878 /nfs/dbraw/zinc/26/98/78/442269878.db2.gz OPRIESGXMAZVSY-STQMWFEESA-N 2 2 345.285 1.592 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000170828091 442270451 /nfs/dbraw/zinc/27/04/51/442270451.db2.gz JKUKTFZYZPRXDV-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CC(=O)NCc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177142805 442304886 /nfs/dbraw/zinc/30/48/86/442304886.db2.gz PCKHWLWSVOKMHL-UHFFFAOYSA-N 2 2 346.475 1.079 20 0 EDADLP CS[C@@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000153432862 442282516 /nfs/dbraw/zinc/28/25/16/442282516.db2.gz BFISOJRRNCLCNN-LSVZVQIISA-N 2 2 325.522 1.897 20 0 EDADLP CS[C@@H](C)CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000153432862 442282517 /nfs/dbraw/zinc/28/25/17/442282517.db2.gz BFISOJRRNCLCNN-LSVZVQIISA-N 2 2 325.522 1.897 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2ccc(C=O)[nH]2)([NH+]2CCCCC2)CC1 ZINC000177337470 442329467 /nfs/dbraw/zinc/32/94/67/442329467.db2.gz ZFQRESQNUJKACX-UHFFFAOYSA-N 2 2 332.448 1.507 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171215930 442329586 /nfs/dbraw/zinc/32/95/86/442329586.db2.gz PIYDFHPOPDMYGC-AWEZNQCLSA-N 2 2 337.468 1.238 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171215930 442329589 /nfs/dbraw/zinc/32/95/89/442329589.db2.gz PIYDFHPOPDMYGC-AWEZNQCLSA-N 2 2 337.468 1.238 20 0 EDADLP C[C@H](C(=O)NC1(C[NH3+])CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000154374738 442335774 /nfs/dbraw/zinc/33/57/74/442335774.db2.gz SLOQPBDHMOSERM-OAHLLOKOSA-N 2 2 348.466 1.724 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCOCC1(C)C)c1ccccc1 ZINC000171482036 442352523 /nfs/dbraw/zinc/35/25/23/442352523.db2.gz IPNATOLYYSPVJP-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCOCC1(C)C)c1ccccc1 ZINC000171482036 442352525 /nfs/dbraw/zinc/35/25/25/442352525.db2.gz IPNATOLYYSPVJP-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000171482036 442352526 /nfs/dbraw/zinc/35/25/26/442352526.db2.gz IPNATOLYYSPVJP-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000171482036 442352529 /nfs/dbraw/zinc/35/25/29/442352529.db2.gz IPNATOLYYSPVJP-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000129486506 442318565 /nfs/dbraw/zinc/31/85/65/442318565.db2.gz YIFBCDCOALZESE-KRWDZBQOSA-N 2 2 325.497 1.534 20 0 EDADLP CC(C)CN(C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000129486506 442318567 /nfs/dbraw/zinc/31/85/67/442318567.db2.gz YIFBCDCOALZESE-KRWDZBQOSA-N 2 2 325.497 1.534 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cncc(F)c2)([NH+]2CCCCC2)CC1 ZINC000132165193 442388412 /nfs/dbraw/zinc/38/84/12/442388412.db2.gz HIRRVIDPARKZBM-UHFFFAOYSA-N 2 2 334.439 1.901 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000178069287 442405820 /nfs/dbraw/zinc/40/58/20/442405820.db2.gz FZXZHCUPENQZCZ-OAHLLOKOSA-N 2 2 333.432 1.273 20 0 EDADLP CC(C)S(=O)(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178219958 442416305 /nfs/dbraw/zinc/41/63/05/442416305.db2.gz KMTRDWBKJSGSNO-HZPDHXFCSA-N 2 2 346.537 1.631 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000133914429 442439820 /nfs/dbraw/zinc/43/98/20/442439820.db2.gz WFXCUVFJWNAQEN-SJORKVTESA-N 2 2 345.487 1.518 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000133914429 442439824 /nfs/dbraw/zinc/43/98/24/442439824.db2.gz WFXCUVFJWNAQEN-SJORKVTESA-N 2 2 345.487 1.518 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000178727954 442465331 /nfs/dbraw/zinc/46/53/31/442465331.db2.gz YFEDJYFIDNTKJB-QZTJIDSGSA-N 2 2 330.476 1.186 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178778216 442483070 /nfs/dbraw/zinc/48/30/70/442483070.db2.gz VSNGYQIERVRTDN-HNNXBMFYSA-N 2 2 347.463 1.070 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178778216 442483074 /nfs/dbraw/zinc/48/30/74/442483074.db2.gz VSNGYQIERVRTDN-HNNXBMFYSA-N 2 2 347.463 1.070 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ncccn2)CC1 ZINC000191945286 442545229 /nfs/dbraw/zinc/54/52/29/442545229.db2.gz XLGJOPVHIWBROC-UHFFFAOYSA-N 2 2 333.480 1.537 20 0 EDADLP Cc1ccc(OC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000178986417 442545712 /nfs/dbraw/zinc/54/57/12/442545712.db2.gz ZKYDBTXUBOUSRE-UHFFFAOYSA-N 2 2 345.487 1.921 20 0 EDADLP CC(C)[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000172663165 442518011 /nfs/dbraw/zinc/51/80/11/442518011.db2.gz GZMDGHUZJUNACF-UHFFFAOYSA-N 2 2 341.496 1.103 20 0 EDADLP CC(C)[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000172663165 442518013 /nfs/dbraw/zinc/51/80/13/442518013.db2.gz GZMDGHUZJUNACF-UHFFFAOYSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000192170218 442608283 /nfs/dbraw/zinc/60/82/83/442608283.db2.gz VOGACZQBLMPQME-OAHLLOKOSA-N 2 2 348.495 1.893 20 0 EDADLP CC1(C)[C@@H]2C[N@@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@@H]21 ZINC000172947310 442571702 /nfs/dbraw/zinc/57/17/02/442571702.db2.gz FSLYWIWUWIKCKD-IYBDPMFKSA-N 2 2 333.501 1.980 20 0 EDADLP CC1(C)[C@@H]2C[N@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@@H]21 ZINC000172947310 442571704 /nfs/dbraw/zinc/57/17/04/442571704.db2.gz FSLYWIWUWIKCKD-IYBDPMFKSA-N 2 2 333.501 1.980 20 0 EDADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000192051701 442580794 /nfs/dbraw/zinc/58/07/94/442580794.db2.gz DFGIKQKMRBYUHR-CQSZACIVSA-N 2 2 334.468 1.646 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000186701734 442594261 /nfs/dbraw/zinc/59/42/61/442594261.db2.gz HURSFLLYTLGSNV-KDOFPFPSSA-N 2 2 332.448 1.263 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(=O)OC)cc3F)C2)CC1 ZINC000135470571 442599910 /nfs/dbraw/zinc/59/99/10/442599910.db2.gz SCPBFIBYBYHPGW-KRWDZBQOSA-N 2 2 349.450 1.824 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(=O)OC)cc3F)C2)CC1 ZINC000135470571 442599914 /nfs/dbraw/zinc/59/99/14/442599914.db2.gz SCPBFIBYBYHPGW-KRWDZBQOSA-N 2 2 349.450 1.824 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCCC2(CC2)C1 ZINC000187004327 442644141 /nfs/dbraw/zinc/64/41/41/442644141.db2.gz OFNYPTFVVHIALD-MRXNPFEDSA-N 2 2 328.460 1.995 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCCC2(CC2)C1 ZINC000187004327 442644145 /nfs/dbraw/zinc/64/41/45/442644145.db2.gz OFNYPTFVVHIALD-MRXNPFEDSA-N 2 2 328.460 1.995 20 0 EDADLP C[C@@]([NH3+])(C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000192517296 442656476 /nfs/dbraw/zinc/65/64/76/442656476.db2.gz DDBZZNSAVNYEMS-IBGZPJMESA-N 2 2 340.427 1.409 20 0 EDADLP CCC(CC)(CCO)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179279791 442611227 /nfs/dbraw/zinc/61/12/27/442611227.db2.gz PGSDKTHUXGEXLW-UHFFFAOYSA-N 2 2 342.528 1.500 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000186835200 442619794 /nfs/dbraw/zinc/61/97/94/442619794.db2.gz WYWDRQDDUATTBW-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000186835200 442619798 /nfs/dbraw/zinc/61/97/98/442619798.db2.gz WYWDRQDDUATTBW-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCc3ccccc3C2)CN1CC[NH+]1CCOCC1 ZINC000181034290 442676645 /nfs/dbraw/zinc/67/66/45/442676645.db2.gz QSAKFYRWRLYOJD-OALUTQOASA-N 2 2 343.471 1.067 20 0 EDADLP C[N@H+](CCNC(=O)[C@H]1COCC[NH+]1CC1CCC1)Cc1ccccc1 ZINC000187313159 442669239 /nfs/dbraw/zinc/66/92/39/442669239.db2.gz MYVGTTWULSYVEV-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP C[N@@H+](CCNC(=O)[C@H]1COCC[NH+]1CC1CCC1)Cc1ccccc1 ZINC000187313159 442669240 /nfs/dbraw/zinc/66/92/40/442669240.db2.gz MYVGTTWULSYVEV-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)Cc1ccccc1 ZINC000187313159 442669242 /nfs/dbraw/zinc/66/92/42/442669242.db2.gz MYVGTTWULSYVEV-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)Cc1ccccc1 ZINC000187313159 442669244 /nfs/dbraw/zinc/66/92/44/442669244.db2.gz MYVGTTWULSYVEV-LJQANCHMSA-N 2 2 345.487 1.736 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1C[NH2+]CCO1 ZINC000188198987 442723401 /nfs/dbraw/zinc/72/34/01/442723401.db2.gz JZANCZJFDHWZBZ-MLGOLLRUSA-N 2 2 339.386 1.034 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1C[NH2+]CCO1 ZINC000188198987 442723404 /nfs/dbraw/zinc/72/34/04/442723404.db2.gz JZANCZJFDHWZBZ-MLGOLLRUSA-N 2 2 339.386 1.034 20 0 EDADLP COc1ccccc1CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000182565234 442788291 /nfs/dbraw/zinc/78/82/91/442788291.db2.gz QPQSTIJEKXGFFK-SFHVURJKSA-N 2 2 345.487 1.866 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000265435902 442771899 /nfs/dbraw/zinc/77/18/99/442771899.db2.gz GTKLRXCZQKIBBV-MRXNPFEDSA-N 2 2 333.480 1.049 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000265435902 442771903 /nfs/dbraw/zinc/77/19/03/442771903.db2.gz GTKLRXCZQKIBBV-MRXNPFEDSA-N 2 2 333.480 1.049 20 0 EDADLP CN(C)c1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)c[nH+]1 ZINC000265442315 442774533 /nfs/dbraw/zinc/77/45/33/442774533.db2.gz ZORFMGONZWXYKF-UHFFFAOYSA-N 2 2 346.475 1.799 20 0 EDADLP FC(F)(F)COCCC[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000182701848 442810096 /nfs/dbraw/zinc/81/00/96/442810096.db2.gz KHUKFRJAXDEVGA-UHFFFAOYSA-N 2 2 334.386 1.860 20 0 EDADLP CC(C)[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH+]1CCOCC1 ZINC000268030855 442823485 /nfs/dbraw/zinc/82/34/85/442823485.db2.gz MKQFWGNLWNFLKP-HNNXBMFYSA-N 2 2 339.505 1.896 20 0 EDADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+]([C@H]4CCOC4)C3)CC2)nc1 ZINC000268075814 442837829 /nfs/dbraw/zinc/83/78/29/442837829.db2.gz DWHDPFMJVSOQKY-ROUUACIJSA-N 2 2 330.476 1.705 20 0 EDADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+]([C@H]4CCOC4)C3)CC2)nc1 ZINC000268075814 442837834 /nfs/dbraw/zinc/83/78/34/442837834.db2.gz DWHDPFMJVSOQKY-ROUUACIJSA-N 2 2 330.476 1.705 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268081918 442840380 /nfs/dbraw/zinc/84/03/80/442840380.db2.gz GQCYCDJRDSFNDO-AWEZNQCLSA-N 2 2 325.478 1.338 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H]3CCN(C)C3=O)c2cc1C ZINC000265623736 442849912 /nfs/dbraw/zinc/84/99/12/442849912.db2.gz CAKRFWLGGITCCC-HOCLYGCPSA-N 2 2 330.432 1.177 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H]3CCN(C)C3=O)c2cc1C ZINC000265623736 442849916 /nfs/dbraw/zinc/84/99/16/442849916.db2.gz CAKRFWLGGITCCC-HOCLYGCPSA-N 2 2 330.432 1.177 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000268142505 442867615 /nfs/dbraw/zinc/86/76/15/442867615.db2.gz RMHXXMSJOGLGMN-PBHICJAKSA-N 2 2 343.475 1.964 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000268142505 442867618 /nfs/dbraw/zinc/86/76/18/442867618.db2.gz RMHXXMSJOGLGMN-PBHICJAKSA-N 2 2 343.475 1.964 20 0 EDADLP Cc1cccc(O)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625501654 450396957 /nfs/dbraw/zinc/39/69/57/450396957.db2.gz GOZOUKUGUSFXJK-INIZCTEOSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1cccc(O)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625501654 450396962 /nfs/dbraw/zinc/39/69/62/450396962.db2.gz GOZOUKUGUSFXJK-INIZCTEOSA-N 2 2 331.460 1.941 20 0 EDADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCCO1 ZINC000182282812 318502904 /nfs/dbraw/zinc/50/29/04/318502904.db2.gz QSVIYWCGHDZZJM-IRXDYDNUSA-N 2 2 335.448 1.471 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1nccn1C ZINC000182782796 318512804 /nfs/dbraw/zinc/51/28/04/318512804.db2.gz YGLAGEQJJPBIQE-CQSZACIVSA-N 2 2 329.448 1.562 20 0 EDADLP CC(C)CO[C@H]1CC[NH+](CC(O)C[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000194640450 442930085 /nfs/dbraw/zinc/93/00/85/442930085.db2.gz LUHCPZHMSAXDLY-OALUTQOASA-N 2 2 342.524 1.841 20 0 EDADLP CC(C)CO[C@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000194640450 442930088 /nfs/dbraw/zinc/93/00/88/442930088.db2.gz LUHCPZHMSAXDLY-OALUTQOASA-N 2 2 342.524 1.841 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000183448275 442931694 /nfs/dbraw/zinc/93/16/94/442931694.db2.gz NHMVLJXVYMEGKK-HOCLYGCPSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000183448275 442931697 /nfs/dbraw/zinc/93/16/97/442931697.db2.gz NHMVLJXVYMEGKK-HOCLYGCPSA-N 2 2 339.480 1.251 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1CC(C)(C)O ZINC000189377654 442933235 /nfs/dbraw/zinc/93/32/35/442933235.db2.gz VMCBLRUJWQZTNU-AWEZNQCLSA-N 2 2 345.447 1.321 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1CC(C)(C)O ZINC000189377654 442933240 /nfs/dbraw/zinc/93/32/40/442933240.db2.gz VMCBLRUJWQZTNU-AWEZNQCLSA-N 2 2 345.447 1.321 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000189443064 442954971 /nfs/dbraw/zinc/95/49/71/442954971.db2.gz WZLRWAPAVWKTOH-IBGZPJMESA-N 2 2 345.487 1.880 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000189443064 442954972 /nfs/dbraw/zinc/95/49/72/442954972.db2.gz WZLRWAPAVWKTOH-IBGZPJMESA-N 2 2 345.487 1.880 20 0 EDADLP O=C(NCC[NH+]1CCCOCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000189443064 442954975 /nfs/dbraw/zinc/95/49/75/442954975.db2.gz WZLRWAPAVWKTOH-IBGZPJMESA-N 2 2 345.487 1.880 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000249808831 443006382 /nfs/dbraw/zinc/00/63/82/443006382.db2.gz XTOJUCFYYJWVLT-JFIYKMOQSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)N1CC[NH+](C)CC1 ZINC000268883447 443136157 /nfs/dbraw/zinc/13/61/57/443136157.db2.gz BLFLZPXPZQCURC-INIZCTEOSA-N 2 2 348.466 1.106 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000268802248 443113035 /nfs/dbraw/zinc/11/30/35/443113035.db2.gz BKMXSHSXHRUSHE-IGCXYCKISA-N 2 2 337.489 1.728 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000268802248 443113041 /nfs/dbraw/zinc/11/30/41/443113041.db2.gz BKMXSHSXHRUSHE-IGCXYCKISA-N 2 2 337.489 1.728 20 0 EDADLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000190480518 443116719 /nfs/dbraw/zinc/11/67/19/443116719.db2.gz QOQCIFNZWCPIQG-MRXNPFEDSA-N 2 2 334.370 1.979 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000268821789 443118176 /nfs/dbraw/zinc/11/81/76/443118176.db2.gz HUVHGZSCGJZKNM-FQEVSTJZSA-N 3 2 349.494 1.879 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000268825406 443118976 /nfs/dbraw/zinc/11/89/76/443118976.db2.gz ITCMOOQMXFDPJK-HOJAQTOUSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000268825406 443118979 /nfs/dbraw/zinc/11/89/79/443118979.db2.gz ITCMOOQMXFDPJK-HOJAQTOUSA-N 3 2 331.504 1.943 20 0 EDADLP COCC[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000237293314 443167496 /nfs/dbraw/zinc/16/74/96/443167496.db2.gz OACGJFXULGUMET-INIZCTEOSA-N 2 2 337.489 1.129 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000237903444 443188003 /nfs/dbraw/zinc/18/80/03/443188003.db2.gz UHRGPLMMJMBYEL-KRWDZBQOSA-N 2 2 328.416 1.316 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332961572 318973064 /nfs/dbraw/zinc/97/30/64/318973064.db2.gz SMEMIQVORCFPTG-HZPDHXFCSA-N 2 2 348.495 1.530 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000385394272 319127984 /nfs/dbraw/zinc/12/79/84/319127984.db2.gz AEQKRVYDDPUXBK-BPQIPLTHSA-N 2 2 334.460 1.943 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000385394272 319127986 /nfs/dbraw/zinc/12/79/86/319127986.db2.gz AEQKRVYDDPUXBK-BPQIPLTHSA-N 2 2 334.460 1.943 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(C)[nH+]c2C)CC1=O ZINC000245847948 443251131 /nfs/dbraw/zinc/25/11/31/443251131.db2.gz AAYAZGGLWLDYJN-JKSUJKDBSA-N 2 2 344.459 1.970 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(C)[nH+]c2C)CC1=O ZINC000245847948 443251135 /nfs/dbraw/zinc/25/11/35/443251135.db2.gz AAYAZGGLWLDYJN-JKSUJKDBSA-N 2 2 344.459 1.970 20 0 EDADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411374052 319180365 /nfs/dbraw/zinc/18/03/65/319180365.db2.gz BHPCDHBKWKBALB-CQSZACIVSA-N 2 2 343.431 1.654 20 0 EDADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624595 319190282 /nfs/dbraw/zinc/19/02/82/319190282.db2.gz YISXSNQBGUAGKD-ZWKOTPCHSA-N 2 2 332.444 1.781 20 0 EDADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624595 319190283 /nfs/dbraw/zinc/19/02/83/319190283.db2.gz YISXSNQBGUAGKD-ZWKOTPCHSA-N 2 2 332.444 1.781 20 0 EDADLP CCOC(=O)[C@H](CC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000412227215 319227234 /nfs/dbraw/zinc/22/72/34/319227234.db2.gz JFQYBAIXNQVYGE-GDBMZVCRSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@H](CC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000412227215 319227235 /nfs/dbraw/zinc/22/72/35/319227235.db2.gz JFQYBAIXNQVYGE-GDBMZVCRSA-N 2 2 339.480 1.203 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)N3CC[NH+](C)CC3)c2C1 ZINC000185785254 443256903 /nfs/dbraw/zinc/25/69/03/443256903.db2.gz WVTJARRNYYICER-HNNXBMFYSA-N 2 2 330.476 1.987 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)N3CC[NH+](C)CC3)c2C1 ZINC000185785254 443256908 /nfs/dbraw/zinc/25/69/08/443256908.db2.gz WVTJARRNYYICER-HNNXBMFYSA-N 2 2 330.476 1.987 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1 ZINC000414545959 319330077 /nfs/dbraw/zinc/33/00/77/319330077.db2.gz GNXHEZMSISZSEL-AWEZNQCLSA-N 2 2 340.464 1.722 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1 ZINC000414545959 319330078 /nfs/dbraw/zinc/33/00/78/319330078.db2.gz GNXHEZMSISZSEL-AWEZNQCLSA-N 2 2 340.464 1.722 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000266933199 443294524 /nfs/dbraw/zinc/29/45/24/443294524.db2.gz PDMKTFLCDKALDT-CQSZACIVSA-N 2 2 334.420 1.001 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000266933199 443294527 /nfs/dbraw/zinc/29/45/27/443294527.db2.gz PDMKTFLCDKALDT-CQSZACIVSA-N 2 2 334.420 1.001 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266857379 443269457 /nfs/dbraw/zinc/26/94/57/443269457.db2.gz SVPAOMGTWGLRTM-AEFFLSMTSA-N 2 2 343.471 1.828 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266857379 443269460 /nfs/dbraw/zinc/26/94/60/443269460.db2.gz SVPAOMGTWGLRTM-AEFFLSMTSA-N 2 2 343.471 1.828 20 0 EDADLP CCC[NH2+]CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416889304 319469878 /nfs/dbraw/zinc/46/98/78/319469878.db2.gz RFMATIBKOTVYIS-SFHVURJKSA-N 2 2 348.491 1.667 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3ccccc3C(=O)N(C)C)CC2)cc[nH+]1 ZINC000417980232 319498494 /nfs/dbraw/zinc/49/84/94/319498494.db2.gz ATTKVANKACZMQJ-UHFFFAOYSA-N 2 2 339.443 1.809 20 0 EDADLP Cc1cc(N2CCC(NC(=O)CCn3cc[nH+]c3)CC2)nc(C)[nH+]1 ZINC000267340844 443424024 /nfs/dbraw/zinc/42/40/24/443424024.db2.gz HZAPIPYFNLKCFR-UHFFFAOYSA-N 2 2 328.420 1.465 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C1=CC[N@H+](C)CC1 ZINC000272659454 443400252 /nfs/dbraw/zinc/40/02/52/443400252.db2.gz BQOGYULKAGANPO-OAHLLOKOSA-N 2 2 332.448 1.757 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272659454 443400254 /nfs/dbraw/zinc/40/02/54/443400254.db2.gz BQOGYULKAGANPO-OAHLLOKOSA-N 2 2 332.448 1.757 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000269702937 443403023 /nfs/dbraw/zinc/40/30/23/443403023.db2.gz MTHZYPGFQJHZFL-MRXNPFEDSA-N 2 2 325.416 1.348 20 0 EDADLP COC(=O)C1=NOC2(C1)CC[NH+](CC[N@H+](C)Cc1ccccc1)CC2 ZINC000278692971 443404408 /nfs/dbraw/zinc/40/44/08/443404408.db2.gz SHPMWFFOPXJVQA-UHFFFAOYSA-N 2 2 345.443 1.902 20 0 EDADLP COC(=O)C1=NOC2(C1)CC[NH+](CC[N@@H+](C)Cc1ccccc1)CC2 ZINC000278692971 443404413 /nfs/dbraw/zinc/40/44/13/443404413.db2.gz SHPMWFFOPXJVQA-UHFFFAOYSA-N 2 2 345.443 1.902 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269815346 443452474 /nfs/dbraw/zinc/45/24/74/443452474.db2.gz AJZLLYIIVVWLKZ-OAHLLOKOSA-N 2 2 328.420 1.555 20 0 EDADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422969208 319742872 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C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@H]1CNC(=O)O1)CC2 ZINC000283270110 443583388 /nfs/dbraw/zinc/58/33/88/443583388.db2.gz VRBXPNDHWUQNJP-OLZOCXBDSA-N 2 2 336.461 1.538 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cn21 ZINC000272192103 443552459 /nfs/dbraw/zinc/55/24/59/443552459.db2.gz KMUANRPGQHQOCE-HOCLYGCPSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cn21 ZINC000272192103 443552465 /nfs/dbraw/zinc/55/24/65/443552465.db2.gz KMUANRPGQHQOCE-HOCLYGCPSA-N 2 2 327.432 1.878 20 0 EDADLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000430580195 319935531 /nfs/dbraw/zinc/93/55/31/319935531.db2.gz RIXASYNOERZXTO-UHFFFAOYSA-N 2 2 338.477 1.400 20 0 EDADLP C[N@H+](CCCNC(=O)C(=O)NCCCn1cc[nH+]c1)C1CCCCC1 ZINC000283328418 443602544 /nfs/dbraw/zinc/60/25/44/443602544.db2.gz RMPCIQQOMMGZST-UHFFFAOYSA-N 2 2 349.479 1.160 20 0 EDADLP C[N@@H+](CCCNC(=O)C(=O)NCCCn1cc[nH+]c1)C1CCCCC1 ZINC000283328418 443602548 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EDADLP CC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCNC1=O ZINC000285174274 443883106 /nfs/dbraw/zinc/88/31/06/443883106.db2.gz CTGRCPWMRFEPQY-GOSISDBHSA-N 2 2 330.476 1.409 20 0 EDADLP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000298743812 443856071 /nfs/dbraw/zinc/85/60/71/443856071.db2.gz UEXZUZXNFBJYOE-LSDHHAIUSA-N 2 2 333.432 1.755 20 0 EDADLP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000298743812 443856076 /nfs/dbraw/zinc/85/60/76/443856076.db2.gz UEXZUZXNFBJYOE-LSDHHAIUSA-N 2 2 333.432 1.755 20 0 EDADLP CNC(=O)[C@]1(C)CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285319540 443940212 /nfs/dbraw/zinc/94/02/12/443940212.db2.gz NLCUSFZNZDIPOE-HXUWFJFHSA-N 2 2 344.503 1.657 20 0 EDADLP CNC(=O)[C@]1(C)CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285319540 443940215 /nfs/dbraw/zinc/94/02/15/443940215.db2.gz NLCUSFZNZDIPOE-HXUWFJFHSA-N 2 2 344.503 1.657 20 0 EDADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCNc3cccc[nH+]3)cc2C1 ZINC000299071421 443945002 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COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277193604 443933646 /nfs/dbraw/zinc/93/36/46/443933646.db2.gz LZHPKBDFXHNSHD-GOSISDBHSA-N 2 2 333.476 1.865 20 0 EDADLP Cc1noc(C)c1C(C)(C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000285367678 443957285 /nfs/dbraw/zinc/95/72/85/443957285.db2.gz BTBKTBBWQNOQIL-UHFFFAOYSA-N 2 2 344.463 1.858 20 0 EDADLP O[C@@]1(Cn2ccnn2)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000285575536 444034814 /nfs/dbraw/zinc/03/48/14/444034814.db2.gz SGXOFRVURXGNCM-SFHVURJKSA-N 2 2 338.415 1.491 20 0 EDADLP O[C@@]1(Cn2ccnn2)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000285575536 444034816 /nfs/dbraw/zinc/03/48/16/444034816.db2.gz SGXOFRVURXGNCM-SFHVURJKSA-N 2 2 338.415 1.491 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1n1cc[nH+]c1 ZINC000557253574 321001075 /nfs/dbraw/zinc/00/10/75/321001075.db2.gz ORWDHASLBORAOZ-XLNGHYISSA-N 2 2 331.464 1.864 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000299506388 444065789 /nfs/dbraw/zinc/06/57/89/444065789.db2.gz YPPFGLAOZYZKMA-UHFFFAOYSA-N 2 2 338.415 1.936 20 0 EDADLP CCNc1nc(N2CCC(C[NH+](C)C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000561133773 321034257 /nfs/dbraw/zinc/03/42/57/321034257.db2.gz JNJBWDLIYQRIRS-UHFFFAOYSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC(C[NH+](C)C)CC2)[nH+]1 ZINC000561133773 321034260 /nfs/dbraw/zinc/03/42/60/321034260.db2.gz JNJBWDLIYQRIRS-UHFFFAOYSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC(C[NH+](C)C)CC2)n1 ZINC000561133773 321034262 /nfs/dbraw/zinc/03/42/62/321034262.db2.gz JNJBWDLIYQRIRS-UHFFFAOYSA-N 2 2 335.500 1.714 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000562051296 321045497 /nfs/dbraw/zinc/04/54/97/321045497.db2.gz MQNFHLMHVJWLNT-IBGZPJMESA-N 2 2 341.411 1.343 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000562051296 321045499 /nfs/dbraw/zinc/04/54/99/321045499.db2.gz MQNFHLMHVJWLNT-IBGZPJMESA-N 2 2 341.411 1.343 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000562726982 321073117 /nfs/dbraw/zinc/07/31/17/321073117.db2.gz RSZKROUOTWKXHA-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000562726982 321073119 /nfs/dbraw/zinc/07/31/19/321073119.db2.gz RSZKROUOTWKXHA-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000562815560 321078312 /nfs/dbraw/zinc/07/83/12/321078312.db2.gz CEHHQDVVRWYGAW-ILXRZTDVSA-N 2 2 334.468 1.186 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC000562950219 321082540 /nfs/dbraw/zinc/08/25/40/321082540.db2.gz GIPDPNWMBBVHFB-UHFFFAOYSA-N 3 2 347.507 1.706 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)CC1 ZINC000562950219 321082541 /nfs/dbraw/zinc/08/25/41/321082541.db2.gz GIPDPNWMBBVHFB-UHFFFAOYSA-N 3 2 347.507 1.706 20 0 EDADLP FC(F)(F)COc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000562958531 321083579 /nfs/dbraw/zinc/08/35/79/321083579.db2.gz MDAQLRITRHXXQO-ZFWWWQNUSA-N 2 2 345.365 1.879 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)Cn3cncn3)c2cc1C ZINC000562988434 321085465 /nfs/dbraw/zinc/08/54/65/321085465.db2.gz ZMONPOXPRMPYKZ-HUUCEWRRSA-N 2 2 328.420 1.284 20 0 EDADLP COCC1(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC[NH2+]CC1 ZINC000563090622 321094612 /nfs/dbraw/zinc/09/46/12/321094612.db2.gz SKEIKMDSPPSMPO-UHFFFAOYSA-N 2 2 348.447 1.181 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)CCc2ccccc2)C[C@H](C)O1 ZINC000563137871 321097860 /nfs/dbraw/zinc/09/78/60/321097860.db2.gz JZUFUOBCRWLWQI-OGWHTMIXSA-N 2 2 336.476 1.040 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)CCc2ccccc2)C[C@H](C)O1 ZINC000563137871 321097861 /nfs/dbraw/zinc/09/78/61/321097861.db2.gz JZUFUOBCRWLWQI-OGWHTMIXSA-N 2 2 336.476 1.040 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000564584427 321136579 /nfs/dbraw/zinc/13/65/79/321136579.db2.gz HLZJELWHIKHQTP-SFHVURJKSA-N 2 2 333.476 1.631 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000564584427 321136581 /nfs/dbraw/zinc/13/65/81/321136581.db2.gz HLZJELWHIKHQTP-SFHVURJKSA-N 2 2 333.476 1.631 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)ccn12 ZINC000565180287 321173649 /nfs/dbraw/zinc/17/36/49/321173649.db2.gz PNOHQGPSFJRKAA-QGZVFWFLSA-N 2 2 342.443 1.970 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CC(C)C)CC2)CC1 ZINC000566165153 321220337 /nfs/dbraw/zinc/22/03/37/321220337.db2.gz OVJNIGQGVXMJIM-UHFFFAOYSA-N 2 2 331.526 1.464 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CC(C)C)CC2)CC1 ZINC000566165153 321220338 /nfs/dbraw/zinc/22/03/38/321220338.db2.gz OVJNIGQGVXMJIM-UHFFFAOYSA-N 2 2 331.526 1.464 20 0 EDADLP CCn1c2ccc(F)cc2[nH+]c1Cn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000566185071 321221588 /nfs/dbraw/zinc/22/15/88/321221588.db2.gz XZYGKSJNASXVSQ-UHFFFAOYSA-N 2 2 341.390 1.489 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000278107893 444098110 /nfs/dbraw/zinc/09/81/10/444098110.db2.gz KEXJIYHGOPWEPC-MRXNPFEDSA-N 2 2 343.475 1.834 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000567608216 321248204 /nfs/dbraw/zinc/24/82/04/321248204.db2.gz URIRHLSHIIUKIY-UHFFFAOYSA-N 2 2 341.419 1.105 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000567657439 321250932 /nfs/dbraw/zinc/25/09/32/321250932.db2.gz QBRSXZBLFYZSOQ-OWCLPIDISA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000567657439 321250934 /nfs/dbraw/zinc/25/09/34/321250934.db2.gz QBRSXZBLFYZSOQ-OWCLPIDISA-N 2 2 328.501 1.515 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000567724639 321254188 /nfs/dbraw/zinc/25/41/88/321254188.db2.gz RPRCAAOSTAEJOQ-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000567975754 321270158 /nfs/dbraw/zinc/27/01/58/321270158.db2.gz BAFZSOYMKPVYKW-NVXWUHKLSA-N 2 2 332.448 1.159 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568431874 321291659 /nfs/dbraw/zinc/29/16/59/321291659.db2.gz RTUQETRPGQAMPZ-HNNXBMFYSA-N 2 2 334.468 1.111 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568431874 321291660 /nfs/dbraw/zinc/29/16/60/321291660.db2.gz RTUQETRPGQAMPZ-HNNXBMFYSA-N 2 2 334.468 1.111 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000570510954 321343495 /nfs/dbraw/zinc/34/34/95/321343495.db2.gz IMYINELYRKFYAU-UHFFFAOYSA-N 2 2 341.459 1.628 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000570510954 321343497 /nfs/dbraw/zinc/34/34/97/321343497.db2.gz IMYINELYRKFYAU-UHFFFAOYSA-N 2 2 341.459 1.628 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)C[NH+](C)C3CC3)c2)CCO1 ZINC000571198494 321375808 /nfs/dbraw/zinc/37/58/08/321375808.db2.gz MOFRTLRPQGJSTC-JXFKEZNVSA-N 3 2 347.503 1.452 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)C[NH+](C)C3CC3)c2)CCO1 ZINC000571198494 321375810 /nfs/dbraw/zinc/37/58/10/321375810.db2.gz MOFRTLRPQGJSTC-JXFKEZNVSA-N 3 2 347.503 1.452 20 0 EDADLP C[C@H]1C[NH+](Cc2cccc(C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)c2)CCO1 ZINC000571198494 321375811 /nfs/dbraw/zinc/37/58/11/321375811.db2.gz MOFRTLRPQGJSTC-JXFKEZNVSA-N 3 2 347.503 1.452 20 0 EDADLP C[C@H]1C[NH+](Cc2cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)c2)CCO1 ZINC000571198494 321375812 /nfs/dbraw/zinc/37/58/12/321375812.db2.gz MOFRTLRPQGJSTC-JXFKEZNVSA-N 3 2 347.503 1.452 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC[C@H](O)C[NH+](C)C3CC3)c2)CCO1 ZINC000571198494 321375814 /nfs/dbraw/zinc/37/58/14/321375814.db2.gz MOFRTLRPQGJSTC-JXFKEZNVSA-N 2 2 347.503 1.452 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC[C@H](O)C[NH+](C)C3CC3)c2)CCO1 ZINC000571198494 321375816 /nfs/dbraw/zinc/37/58/16/321375816.db2.gz MOFRTLRPQGJSTC-JXFKEZNVSA-N 2 2 347.503 1.452 20 0 EDADLP C[C@H]1C[NH+](Cc2cccc(CNC[C@H](O)C[N@H+](C)C3CC3)c2)CCO1 ZINC000571198494 321375817 /nfs/dbraw/zinc/37/58/17/321375817.db2.gz MOFRTLRPQGJSTC-JXFKEZNVSA-N 2 2 347.503 1.452 20 0 EDADLP C[C@H]1C[NH+](Cc2cccc(CNC[C@H](O)C[N@@H+](C)C3CC3)c2)CCO1 ZINC000571198494 321375818 /nfs/dbraw/zinc/37/58/18/321375818.db2.gz MOFRTLRPQGJSTC-JXFKEZNVSA-N 2 2 347.503 1.452 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnnn2C2CCOCC2)C1 ZINC000571599736 321393635 /nfs/dbraw/zinc/39/36/35/321393635.db2.gz GSGDTPSZHIGDKL-OAHLLOKOSA-N 2 2 345.451 1.621 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnnn2C2CCOCC2)C1 ZINC000571599736 321393637 /nfs/dbraw/zinc/39/36/37/321393637.db2.gz GSGDTPSZHIGDKL-OAHLLOKOSA-N 2 2 345.451 1.621 20 0 EDADLP COc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302216367 444209498 /nfs/dbraw/zinc/20/94/98/444209498.db2.gz JMSYCWOBDHGJGQ-UHFFFAOYSA-N 2 2 326.400 1.511 20 0 EDADLP C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000296190410 444210983 /nfs/dbraw/zinc/21/09/83/444210983.db2.gz LQSOMMQYQXKULZ-HOCLYGCPSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000296190410 444210986 /nfs/dbraw/zinc/21/09/86/444210986.db2.gz LQSOMMQYQXKULZ-HOCLYGCPSA-N 2 2 337.489 1.238 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3c(F)cccc3F)CC2)CC1 ZINC000289870889 444213872 /nfs/dbraw/zinc/21/38/72/444213872.db2.gz RITHJSZGXQOIAF-UHFFFAOYSA-N 2 2 337.414 1.951 20 0 EDADLP CC(C)c1nc(N2CCN(c3cc[nH+]cc3)CC2)nc(N(C)C)[nH+]1 ZINC000301935293 444197222 /nfs/dbraw/zinc/19/72/22/444197222.db2.gz QVFSLNZEJFAXQB-UHFFFAOYSA-N 2 2 327.436 1.783 20 0 EDADLP CC(C)c1nc(N(C)C)nc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000301935293 444197223 /nfs/dbraw/zinc/19/72/23/444197223.db2.gz QVFSLNZEJFAXQB-UHFFFAOYSA-N 2 2 327.436 1.783 20 0 EDADLP NC(=O)c1c[nH+]ccc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000302025731 444201322 /nfs/dbraw/zinc/20/13/22/444201322.db2.gz KPRJPMGHMQYDSJ-UHFFFAOYSA-N 2 2 326.400 1.625 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783137 444202932 /nfs/dbraw/zinc/20/29/32/444202932.db2.gz LDNNQGPFUHYBNP-RTBURBONSA-N 2 2 345.487 1.726 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783137 444202935 /nfs/dbraw/zinc/20/29/35/444202935.db2.gz LDNNQGPFUHYBNP-RTBURBONSA-N 2 2 345.487 1.726 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783137 444202938 /nfs/dbraw/zinc/20/29/38/444202938.db2.gz LDNNQGPFUHYBNP-RTBURBONSA-N 2 2 345.487 1.726 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783137 444202939 /nfs/dbraw/zinc/20/29/39/444202939.db2.gz LDNNQGPFUHYBNP-RTBURBONSA-N 2 2 345.487 1.726 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000305210758 444265261 /nfs/dbraw/zinc/26/52/61/444265261.db2.gz PICXRIXUXKNEHO-QFBILLFUSA-N 2 2 345.487 1.348 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000305210758 444265263 /nfs/dbraw/zinc/26/52/63/444265263.db2.gz PICXRIXUXKNEHO-QFBILLFUSA-N 2 2 345.487 1.348 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](Nc1cc(N3CCCC[C@@H]3CO)nc[nH+]1)C2 ZINC000302893862 444230545 /nfs/dbraw/zinc/23/05/45/444230545.db2.gz OJXIBHNMXRFVGS-HUUCEWRRSA-N 2 2 342.447 1.760 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](Nc1cc(N3CCCC[C@@H]3CO)[nH+]cn1)C2 ZINC000302893862 444230547 /nfs/dbraw/zinc/23/05/47/444230547.db2.gz OJXIBHNMXRFVGS-HUUCEWRRSA-N 2 2 342.447 1.760 20 0 EDADLP CC[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1CCOC ZINC000290626831 444303419 /nfs/dbraw/zinc/30/34/19/444303419.db2.gz IVWMPCZMTZPCQT-HNNXBMFYSA-N 2 2 331.420 1.909 20 0 EDADLP CC[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1CCOC ZINC000290626831 444303420 /nfs/dbraw/zinc/30/34/20/444303420.db2.gz IVWMPCZMTZPCQT-HNNXBMFYSA-N 2 2 331.420 1.909 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290760320 444320218 /nfs/dbraw/zinc/32/02/18/444320218.db2.gz RMBLRNCNEYEQBQ-UHFFFAOYSA-N 2 2 331.420 1.645 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290760320 444320221 /nfs/dbraw/zinc/32/02/21/444320221.db2.gz RMBLRNCNEYEQBQ-UHFFFAOYSA-N 2 2 331.420 1.645 20 0 EDADLP C[C@H]([NH2+]Cc1cc(C(N)=O)no1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290395351 444275791 /nfs/dbraw/zinc/27/57/91/444275791.db2.gz OWULVZALMRBOFA-ZFWWWQNUSA-N 2 2 328.416 1.774 20 0 EDADLP C[C@H]([NH2+]Cc1cc(C(N)=O)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290395351 444275793 /nfs/dbraw/zinc/27/57/93/444275793.db2.gz OWULVZALMRBOFA-ZFWWWQNUSA-N 2 2 328.416 1.774 20 0 EDADLP Cc1c([C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cnn1C ZINC000305849622 444283351 /nfs/dbraw/zinc/28/33/51/444283351.db2.gz UNFHJWJDKAQFIW-KSSFIOAISA-N 2 2 328.460 1.798 20 0 EDADLP Cc1c([C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cnn1C ZINC000305849622 444283353 /nfs/dbraw/zinc/28/33/53/444283353.db2.gz UNFHJWJDKAQFIW-KSSFIOAISA-N 2 2 328.460 1.798 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc2c[nH+]cn2c1)[C@H](C)[NH+]1CCOCC1 ZINC000297482932 444292314 /nfs/dbraw/zinc/29/23/14/444292314.db2.gz ABWDYLPAPZSQGW-KGLIPLIRSA-N 2 2 331.420 1.243 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000310528813 444292417 /nfs/dbraw/zinc/29/24/17/444292417.db2.gz PKFUOFRTCDXOBQ-GOSISDBHSA-N 2 2 334.460 1.897 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000310528813 444292418 /nfs/dbraw/zinc/29/24/18/444292418.db2.gz PKFUOFRTCDXOBQ-GOSISDBHSA-N 2 2 334.460 1.897 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311684445 444293281 /nfs/dbraw/zinc/29/32/81/444293281.db2.gz MWJUHRHEYZEXMG-IEBWSBKVSA-N 2 2 345.487 1.783 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311684445 444293283 /nfs/dbraw/zinc/29/32/83/444293283.db2.gz MWJUHRHEYZEXMG-IEBWSBKVSA-N 2 2 345.487 1.783 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]ccc2OC)CC[N@@H+]1CCOC ZINC000297535052 444297800 /nfs/dbraw/zinc/29/78/00/444297800.db2.gz APNFUXQLSDPNEW-HNNXBMFYSA-N 2 2 336.436 1.342 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]ccc2OC)CC[N@H+]1CCOC ZINC000297535052 444297803 /nfs/dbraw/zinc/29/78/03/444297803.db2.gz APNFUXQLSDPNEW-HNNXBMFYSA-N 2 2 336.436 1.342 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(S(C)(=O)=O)cc1 ZINC000321728915 444337341 /nfs/dbraw/zinc/33/73/41/444337341.db2.gz ZKUPAROILMFCAA-NUEKZKHPSA-N 2 2 338.473 1.604 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(S(C)(=O)=O)cc1 ZINC000321728915 444337343 /nfs/dbraw/zinc/33/73/43/444337343.db2.gz ZKUPAROILMFCAA-NUEKZKHPSA-N 2 2 338.473 1.604 20 0 EDADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccncc1F ZINC000337950012 444468783 /nfs/dbraw/zinc/46/87/83/444468783.db2.gz KRFQOVYUFZQLLK-ZDUSSCGKSA-N 2 2 330.411 1.613 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000579729481 321966957 /nfs/dbraw/zinc/96/69/57/321966957.db2.gz HTNAGGXXBWSIKW-UHFFFAOYSA-N 2 2 342.447 1.111 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CCn3cc[nH+]c3)c[nH+]2)C[C@@H](C)O1 ZINC000337999653 444483032 /nfs/dbraw/zinc/48/30/32/444483032.db2.gz JMPPQUFQELUNPT-HUUCEWRRSA-N 2 2 343.431 1.598 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)CN1CC[NH+]1CCOCC1 ZINC000338002545 444483582 /nfs/dbraw/zinc/48/35/82/444483582.db2.gz YEWXCLJUBYADSE-YESZJQIVSA-N 2 2 341.471 1.428 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000331724935 444484766 /nfs/dbraw/zinc/48/47/66/444484766.db2.gz LWMPOFUQZDKHBE-HZSPNIEDSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@H+]1C ZINC000331724935 444484770 /nfs/dbraw/zinc/48/47/70/444484770.db2.gz LWMPOFUQZDKHBE-HZSPNIEDSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000580436365 322051134 /nfs/dbraw/zinc/05/11/34/322051134.db2.gz UMJFLOUUXMRGMR-KEYYUXOJSA-N 3 2 329.448 1.043 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580587936 322071487 /nfs/dbraw/zinc/07/14/87/322071487.db2.gz IVUCNBUFQFGHOA-UHFFFAOYSA-N 2 2 336.399 1.617 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cscn2)[C@H](C)C1 ZINC000580717653 322086846 /nfs/dbraw/zinc/08/68/46/322086846.db2.gz HFVXNJLZBDPKTL-VNHYZAJKSA-N 2 2 340.493 1.396 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cscn2)[C@H](C)C1 ZINC000580717653 322086847 /nfs/dbraw/zinc/08/68/47/322086847.db2.gz HFVXNJLZBDPKTL-VNHYZAJKSA-N 2 2 340.493 1.396 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(c3cc(C)cc[nH+]3)CC1)CC2 ZINC000580896019 322109764 /nfs/dbraw/zinc/10/97/64/322109764.db2.gz GZHKASCMYVQLKS-INIZCTEOSA-N 2 2 339.443 1.806 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCC2CC[NH+](C3CC3)CC2)CCO1 ZINC000580928980 322112566 /nfs/dbraw/zinc/11/25/66/322112566.db2.gz PTNYVJMIGKLCSP-UHFFFAOYSA-N 2 2 338.496 1.271 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCC2CC[NH+](C3CC3)CC2)CCO1 ZINC000580928980 322112568 /nfs/dbraw/zinc/11/25/68/322112568.db2.gz PTNYVJMIGKLCSP-UHFFFAOYSA-N 2 2 338.496 1.271 20 0 EDADLP CSC[C@@H](CCO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000580952638 322117026 /nfs/dbraw/zinc/11/70/26/322117026.db2.gz NQLQUQVHBGLMDV-HUUCEWRRSA-N 2 2 337.489 1.718 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000581141362 322141907 /nfs/dbraw/zinc/14/19/07/322141907.db2.gz VZKUEXNPICQKME-CQSZACIVSA-N 2 2 342.447 1.052 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000581141362 322141908 /nfs/dbraw/zinc/14/19/08/322141908.db2.gz VZKUEXNPICQKME-CQSZACIVSA-N 2 2 342.447 1.052 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)[C@H](C[NH3+])C1 ZINC000581238467 322152861 /nfs/dbraw/zinc/15/28/61/322152861.db2.gz FHLUWQUPPDMNJN-GFCCVEGCSA-N 2 2 348.838 1.632 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)[C@H](C[NH3+])C1 ZINC000581238467 322152863 /nfs/dbraw/zinc/15/28/63/322152863.db2.gz FHLUWQUPPDMNJN-GFCCVEGCSA-N 2 2 348.838 1.632 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000581662472 322205539 /nfs/dbraw/zinc/20/55/39/322205539.db2.gz LHHXHVYJVWPKPG-FKWRQYOWSA-N 2 2 348.487 1.858 20 0 EDADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000342146603 444533908 /nfs/dbraw/zinc/53/39/08/444533908.db2.gz YECJSYAVEPAYEV-CQSZACIVSA-N 2 2 334.439 1.334 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000332809242 444560385 /nfs/dbraw/zinc/56/03/85/444560385.db2.gz LDLGTSRYVUTHRZ-JYYAWHABSA-N 2 2 335.496 1.505 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000332809242 444560389 /nfs/dbraw/zinc/56/03/89/444560389.db2.gz LDLGTSRYVUTHRZ-JYYAWHABSA-N 2 2 335.496 1.505 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332847503 444572399 /nfs/dbraw/zinc/57/23/99/444572399.db2.gz IIXHOKHZVSKEKK-LXTVHRRPSA-N 2 2 333.480 1.933 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332847503 444572402 /nfs/dbraw/zinc/57/24/02/444572402.db2.gz IIXHOKHZVSKEKK-LXTVHRRPSA-N 2 2 333.480 1.933 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332847503 444572406 /nfs/dbraw/zinc/57/24/06/444572406.db2.gz IIXHOKHZVSKEKK-LXTVHRRPSA-N 2 2 333.480 1.933 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332847503 444572409 /nfs/dbraw/zinc/57/24/09/444572409.db2.gz IIXHOKHZVSKEKK-LXTVHRRPSA-N 2 2 333.480 1.933 20 0 EDADLP CC[C@@]1(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CCC[NH2+]1 ZINC000343790733 444593244 /nfs/dbraw/zinc/59/32/44/444593244.db2.gz WNXYAPZXIBODPS-SFHVURJKSA-N 2 2 333.480 1.213 20 0 EDADLP COc1cc([C@@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)ccn1 ZINC000342281290 444610925 /nfs/dbraw/zinc/61/09/25/444610925.db2.gz FTIVBCNXOVTURN-CQSZACIVSA-N 2 2 342.447 1.483 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329522221 444614294 /nfs/dbraw/zinc/61/42/94/444614294.db2.gz GADKASLKANMBRP-GDBMZVCRSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329522221 444614295 /nfs/dbraw/zinc/61/42/95/444614295.db2.gz GADKASLKANMBRP-GDBMZVCRSA-N 2 2 332.448 1.379 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000329771035 444711649 /nfs/dbraw/zinc/71/16/49/444711649.db2.gz GNHAUUCDTFOBRL-UHFFFAOYSA-N 2 2 339.461 1.269 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333914915 444716891 /nfs/dbraw/zinc/71/68/91/444716891.db2.gz MNITZIISLDECMM-GOSISDBHSA-N 2 2 327.432 1.740 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cnn1 ZINC000342437992 444692393 /nfs/dbraw/zinc/69/23/93/444692393.db2.gz SIUNAXOGZFHTFV-SJPCQFCGSA-N 2 2 329.448 1.168 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cnn1 ZINC000342437992 444692398 /nfs/dbraw/zinc/69/23/98/444692398.db2.gz SIUNAXOGZFHTFV-SJPCQFCGSA-N 2 2 329.448 1.168 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2C[C@@H]3CCCC[NH+]3C[C@H]2C)C[C@H](C)O1 ZINC000343959137 444694773 /nfs/dbraw/zinc/69/47/73/444694773.db2.gz GXHJXEDXAGBOEF-ZBRFXRBCSA-N 2 2 325.497 1.015 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)CN2C[C@@H]3CCCC[NH+]3C[C@H]2C)C[C@H](C)O1 ZINC000343959137 444694776 /nfs/dbraw/zinc/69/47/76/444694776.db2.gz GXHJXEDXAGBOEF-ZBRFXRBCSA-N 2 2 325.497 1.015 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)C[C@H](C)O1 ZINC000343959137 444694779 /nfs/dbraw/zinc/69/47/79/444694779.db2.gz GXHJXEDXAGBOEF-ZBRFXRBCSA-N 2 2 325.497 1.015 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)C[C@H](C)O1 ZINC000343959137 444694783 /nfs/dbraw/zinc/69/47/83/444694783.db2.gz GXHJXEDXAGBOEF-ZBRFXRBCSA-N 2 2 325.497 1.015 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338535153 444738614 /nfs/dbraw/zinc/73/86/14/444738614.db2.gz IOERHHXGWNUHSJ-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338535153 444738616 /nfs/dbraw/zinc/73/86/16/444738616.db2.gz IOERHHXGWNUHSJ-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000334031765 444753756 /nfs/dbraw/zinc/75/37/56/444753756.db2.gz LTWIYMQZSMDLLT-UHFFFAOYSA-N 2 2 347.507 1.640 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[C@@H](C)O1 ZINC000341216896 444734594 /nfs/dbraw/zinc/73/45/94/444734594.db2.gz VSHCSVFUOALMTB-BZUAXINKSA-N 2 2 349.479 1.798 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]C2CC[NH+](C)CC2)cc[nH+]1 ZINC000341393050 444809396 /nfs/dbraw/zinc/80/93/96/444809396.db2.gz YULCFMBVQWIVRY-HIFRSBDPSA-N 3 2 336.459 1.143 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000342690866 444815556 /nfs/dbraw/zinc/81/55/56/444815556.db2.gz YUIOKGKOJHYMRZ-ZTFGCOKTSA-N 2 2 337.508 1.722 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000342690866 444815561 /nfs/dbraw/zinc/81/55/61/444815561.db2.gz YUIOKGKOJHYMRZ-ZTFGCOKTSA-N 2 2 337.508 1.722 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000344116895 444790075 /nfs/dbraw/zinc/79/00/75/444790075.db2.gz OFXXBWRVHAELKE-QGZVFWFLSA-N 2 2 325.497 1.332 20 0 EDADLP COCC[N@H+]1CC[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000344116895 444790079 /nfs/dbraw/zinc/79/00/79/444790079.db2.gz OFXXBWRVHAELKE-QGZVFWFLSA-N 2 2 325.497 1.332 20 0 EDADLP CC(C)(C)c1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000342725810 444836333 /nfs/dbraw/zinc/83/63/33/444836333.db2.gz IUDWMLFPPBMISE-HNNXBMFYSA-N 2 2 333.480 1.451 20 0 EDADLP CC(C)(C)c1ncc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000342725810 444836336 /nfs/dbraw/zinc/83/63/36/444836336.db2.gz IUDWMLFPPBMISE-HNNXBMFYSA-N 2 2 333.480 1.451 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000342745931 444845731 /nfs/dbraw/zinc/84/57/31/444845731.db2.gz UUNJKLUDVXXUKV-AWEZNQCLSA-N 2 2 341.415 1.251 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330308614 444931185 /nfs/dbraw/zinc/93/11/85/444931185.db2.gz MIKQJZQSPPYUCF-LSDHHAIUSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330308614 444931189 /nfs/dbraw/zinc/93/11/89/444931189.db2.gz MIKQJZQSPPYUCF-LSDHHAIUSA-N 2 2 332.448 1.157 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341767850 444991939 /nfs/dbraw/zinc/99/19/39/444991939.db2.gz DJLQQSBVHPCLDK-HKUYNNGSSA-N 2 2 344.503 1.528 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341767850 444991944 /nfs/dbraw/zinc/99/19/44/444991944.db2.gz DJLQQSBVHPCLDK-HKUYNNGSSA-N 2 2 344.503 1.528 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344526185 445034517 /nfs/dbraw/zinc/03/45/17/445034517.db2.gz JBIBWSBDAQTPNF-IBGZPJMESA-N 2 2 328.460 1.764 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344526185 445034520 /nfs/dbraw/zinc/03/45/20/445034520.db2.gz JBIBWSBDAQTPNF-IBGZPJMESA-N 2 2 328.460 1.764 20 0 EDADLP CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337284199 445014963 /nfs/dbraw/zinc/01/49/63/445014963.db2.gz KVZDXQNNIZFDAH-WBVHZDCISA-N 2 2 348.472 1.680 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000339142469 445054822 /nfs/dbraw/zinc/05/48/22/445054822.db2.gz NSWLPCNGZJKXRO-HUUCEWRRSA-N 2 2 328.464 1.953 20 0 EDADLP NC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344556535 445057741 /nfs/dbraw/zinc/05/77/41/445057741.db2.gz ZWZAFTIWPQDTOV-FQEVSTJZSA-N 2 2 339.439 1.512 20 0 EDADLP NC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344556535 445057745 /nfs/dbraw/zinc/05/77/45/445057745.db2.gz ZWZAFTIWPQDTOV-FQEVSTJZSA-N 2 2 339.439 1.512 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]12CCOC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000341944527 445085992 /nfs/dbraw/zinc/08/59/92/445085992.db2.gz FQQMNPJBASRRQS-HXUWFJFHSA-N 2 2 343.471 1.586 20 0 EDADLP O=C(C[N@H+]1CCC[C@]12CCOC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000341944527 445085996 /nfs/dbraw/zinc/08/59/96/445085996.db2.gz FQQMNPJBASRRQS-HXUWFJFHSA-N 2 2 343.471 1.586 20 0 EDADLP CC[C@H](C(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339280978 445130509 /nfs/dbraw/zinc/13/05/09/445130509.db2.gz IAUUIXXQHUBWMY-YLFCFFPRSA-N 2 2 325.497 1.674 20 0 EDADLP CC[C@H](C(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000339280978 445130515 /nfs/dbraw/zinc/13/05/15/445130515.db2.gz IAUUIXXQHUBWMY-YLFCFFPRSA-N 2 2 325.497 1.674 20 0 EDADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC000339280978 445130520 /nfs/dbraw/zinc/13/05/20/445130520.db2.gz IAUUIXXQHUBWMY-YLFCFFPRSA-N 2 2 325.497 1.674 20 0 EDADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC000339280978 445130523 /nfs/dbraw/zinc/13/05/23/445130523.db2.gz IAUUIXXQHUBWMY-YLFCFFPRSA-N 2 2 325.497 1.674 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000337562625 445138238 /nfs/dbraw/zinc/13/82/38/445138238.db2.gz NZRWPZXDAQVURH-UHFFFAOYSA-N 2 2 346.435 1.627 20 0 EDADLP CC[C@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339233140 445104192 /nfs/dbraw/zinc/10/41/92/445104192.db2.gz CCALPUHPDJAQTF-BZUAXINKSA-N 2 2 337.464 1.888 20 0 EDADLP CC[C@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339233140 445104193 /nfs/dbraw/zinc/10/41/93/445104193.db2.gz CCALPUHPDJAQTF-BZUAXINKSA-N 2 2 337.464 1.888 20 0 EDADLP CC[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339236511 445105269 /nfs/dbraw/zinc/10/52/69/445105269.db2.gz IMYZRFXFWMNGKY-IBGZPJMESA-N 2 2 346.519 1.651 20 0 EDADLP CC[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000339236511 445105271 /nfs/dbraw/zinc/10/52/71/445105271.db2.gz IMYZRFXFWMNGKY-IBGZPJMESA-N 2 2 346.519 1.651 20 0 EDADLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C[NH+]1CCCC1 ZINC000345087699 445162936 /nfs/dbraw/zinc/16/29/36/445162936.db2.gz BIABZZCQOJYVDA-BRWVUGGUSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)c1cnccn1 ZINC000345297436 445178873 /nfs/dbraw/zinc/17/88/73/445178873.db2.gz FVNOOYRTUNLRLR-YEWDVWPNSA-N 2 2 340.431 1.755 20 0 EDADLP CCC(CC)[C@H](CNC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000339653135 445158466 /nfs/dbraw/zinc/15/84/66/445158466.db2.gz NEUWPBXWQBWYPW-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000345972292 445203278 /nfs/dbraw/zinc/20/32/78/445203278.db2.gz LYTIODTWCUFXMB-DLBZAZTESA-N 2 2 336.480 1.143 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000345972292 445203280 /nfs/dbraw/zinc/20/32/80/445203280.db2.gz LYTIODTWCUFXMB-DLBZAZTESA-N 2 2 336.480 1.143 20 0 EDADLP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1CC([NH+](C)C)C1)OCO3 ZINC000347414027 445237653 /nfs/dbraw/zinc/23/76/53/445237653.db2.gz MESCDLMIMGFLNR-UHFFFAOYSA-N 2 2 343.383 1.890 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000347693922 445245239 /nfs/dbraw/zinc/24/52/39/445245239.db2.gz XWHSCXUDXGCEBT-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000347693922 445245240 /nfs/dbraw/zinc/24/52/40/445245240.db2.gz XWHSCXUDXGCEBT-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348312934 445252700 /nfs/dbraw/zinc/25/27/00/445252700.db2.gz GBCUNBSTSGRVLU-RTBURBONSA-N 2 2 327.472 1.919 20 0 EDADLP OC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000351759758 445311172 /nfs/dbraw/zinc/31/11/72/445311172.db2.gz SSQAYOSJTNNYPP-HXUWFJFHSA-N 2 2 347.503 1.576 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CCCN(c3cnn(C)c3)C2=O)c[nH+]1 ZINC000354516251 445274692 /nfs/dbraw/zinc/27/46/92/445274692.db2.gz UWUZHQFMKRMNTI-KRWDZBQOSA-N 2 2 327.432 1.841 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cccnc2)cc[nH+]1 ZINC000348161768 445295421 /nfs/dbraw/zinc/29/54/21/445295421.db2.gz BQMIHXGFZJCVID-HOTGVXAUSA-N 2 2 344.438 1.986 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cccnc2)cc[nH+]1 ZINC000348161768 445295425 /nfs/dbraw/zinc/29/54/25/445295425.db2.gz BQMIHXGFZJCVID-HOTGVXAUSA-N 2 2 344.438 1.986 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000351848477 445342229 /nfs/dbraw/zinc/34/22/29/445342229.db2.gz DFNRWRQDKOOHDJ-NEPJUHHUSA-N 2 2 348.838 1.528 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000351848477 445342232 /nfs/dbraw/zinc/34/22/32/445342232.db2.gz DFNRWRQDKOOHDJ-NEPJUHHUSA-N 2 2 348.838 1.528 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000351850174 445342798 /nfs/dbraw/zinc/34/27/98/445342798.db2.gz IDRGAHVZMYUCML-LSDHHAIUSA-N 3 2 336.505 1.061 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000351850174 445342801 /nfs/dbraw/zinc/34/28/01/445342801.db2.gz IDRGAHVZMYUCML-LSDHHAIUSA-N 3 2 336.505 1.061 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c[nH+]1 ZINC000348670756 445346783 /nfs/dbraw/zinc/34/67/83/445346783.db2.gz JZCTZQMLJOSKTE-INIZCTEOSA-N 2 2 325.478 1.678 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)c[nH+]1 ZINC000348670756 445346786 /nfs/dbraw/zinc/34/67/86/445346786.db2.gz JZCTZQMLJOSKTE-INIZCTEOSA-N 2 2 325.478 1.678 20 0 EDADLP OCC[C@@H]1CSCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351876518 445350785 /nfs/dbraw/zinc/35/07/85/445350785.db2.gz OMYNZDPSLOPFIQ-LJQANCHMSA-N 2 2 349.544 1.999 20 0 EDADLP OCC[C@@H]1CSCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351876518 445350787 /nfs/dbraw/zinc/35/07/87/445350787.db2.gz OMYNZDPSLOPFIQ-LJQANCHMSA-N 2 2 349.544 1.999 20 0 EDADLP COC(=O)c1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000362375769 445351814 /nfs/dbraw/zinc/35/18/14/445351814.db2.gz IKLTZMLASDYKGU-QGZVFWFLSA-N 2 2 331.460 1.685 20 0 EDADLP COC(=O)c1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000362375769 445351815 /nfs/dbraw/zinc/35/18/15/445351815.db2.gz IKLTZMLASDYKGU-QGZVFWFLSA-N 2 2 331.460 1.685 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362383755 445354699 /nfs/dbraw/zinc/35/46/99/445354699.db2.gz AVACPJJLYMRUER-WMZOPIPTSA-N 2 2 345.487 1.770 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362383755 445354703 /nfs/dbraw/zinc/35/47/03/445354703.db2.gz AVACPJJLYMRUER-WMZOPIPTSA-N 2 2 345.487 1.770 20 0 EDADLP COC(=O)[C@H]([C@H](C)O)[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000351973828 445410201 /nfs/dbraw/zinc/41/02/01/445410201.db2.gz DXTMPVMTPCBJSP-YOEHRIQHSA-N 2 2 331.416 1.616 20 0 EDADLP COC(=O)[C@H]([C@H](C)O)[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000351973828 445410206 /nfs/dbraw/zinc/41/02/06/445410206.db2.gz DXTMPVMTPCBJSP-YOEHRIQHSA-N 2 2 331.416 1.616 20 0 EDADLP Cc1cc(NC(=O)N[C@H](CC(C)C)C(=O)NCC[NH+](C)C)cc[nH+]1 ZINC000348848501 445414094 /nfs/dbraw/zinc/41/40/94/445414094.db2.gz MDMMDQOYSCBGIB-OAHLLOKOSA-N 2 2 335.452 1.026 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000354891920 445431640 /nfs/dbraw/zinc/43/16/40/445431640.db2.gz VJHXLBIOGQDOLI-JKSUJKDBSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000354891920 445431643 /nfs/dbraw/zinc/43/16/43/445431643.db2.gz VJHXLBIOGQDOLI-JKSUJKDBSA-N 2 2 339.480 1.252 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2=O)c1 ZINC000357093994 445425187 /nfs/dbraw/zinc/42/51/87/445425187.db2.gz XNEAWFQWAHNVLT-GLJUWKHASA-N 2 2 345.443 1.350 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2=O)c1 ZINC000357093994 445425190 /nfs/dbraw/zinc/42/51/90/445425190.db2.gz XNEAWFQWAHNVLT-GLJUWKHASA-N 2 2 345.443 1.350 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354870663 445430765 /nfs/dbraw/zinc/43/07/65/445430765.db2.gz KBXVYEXWJMPPNL-QBPKDAKJSA-N 3 2 335.471 1.549 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000354870663 445430767 /nfs/dbraw/zinc/43/07/67/445430767.db2.gz KBXVYEXWJMPPNL-QBPKDAKJSA-N 3 2 335.471 1.549 20 0 EDADLP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[N@@H+]1C ZINC000352006399 445432412 /nfs/dbraw/zinc/43/24/12/445432412.db2.gz UKMKIBIAFKQDLI-MSOLQXFVSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[N@H+]1C ZINC000352006399 445432417 /nfs/dbraw/zinc/43/24/17/445432417.db2.gz UKMKIBIAFKQDLI-MSOLQXFVSA-N 2 2 344.503 1.355 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000348901536 445434819 /nfs/dbraw/zinc/43/48/19/445434819.db2.gz QLNGOBPHCHODSY-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000348901536 445434822 /nfs/dbraw/zinc/43/48/22/445434822.db2.gz QLNGOBPHCHODSY-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CS[C@H](C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355088946 445442582 /nfs/dbraw/zinc/44/25/82/445442582.db2.gz OYZDJMYMFOANQP-UONOGXRCSA-N 2 2 328.526 1.548 20 0 EDADLP CS[C@H](C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355088946 445442586 /nfs/dbraw/zinc/44/25/86/445442586.db2.gz OYZDJMYMFOANQP-UONOGXRCSA-N 2 2 328.526 1.548 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)no1 ZINC000355866060 445512271 /nfs/dbraw/zinc/51/22/71/445512271.db2.gz QUSJHWUSSNIARN-INIZCTEOSA-N 2 2 334.395 1.908 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCSCC2)C[C@@H]1[NH+]1CCCC1 ZINC000352473299 445531883 /nfs/dbraw/zinc/53/18/83/445531883.db2.gz SAVJQTMHMXFEET-SOUVJXGZSA-N 2 2 343.562 1.462 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000355922379 445532037 /nfs/dbraw/zinc/53/20/37/445532037.db2.gz LZHCIFMCHHXZBH-IAGOWNOFSA-N 2 2 342.528 1.856 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000362664197 445486381 /nfs/dbraw/zinc/48/63/81/445486381.db2.gz BXTYIHCTVZNYHN-CQSZACIVSA-N 2 2 345.472 1.534 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000362664197 445486384 /nfs/dbraw/zinc/48/63/84/445486384.db2.gz BXTYIHCTVZNYHN-CQSZACIVSA-N 2 2 345.472 1.534 20 0 EDADLP CCS(=O)(=O)NC1CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000349069992 445494379 /nfs/dbraw/zinc/49/43/79/445494379.db2.gz AHMQDWMJKDRQEE-UHFFFAOYSA-N 2 2 325.478 1.726 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000362840203 445575715 /nfs/dbraw/zinc/57/57/15/445575715.db2.gz RYTHMPFMVLRHNJ-OAHLLOKOSA-N 2 2 346.456 1.799 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000362840203 445575717 /nfs/dbraw/zinc/57/57/17/445575717.db2.gz RYTHMPFMVLRHNJ-OAHLLOKOSA-N 2 2 346.456 1.799 20 0 EDADLP O=S(=O)(NCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000362926654 445612573 /nfs/dbraw/zinc/61/25/73/445612573.db2.gz RSKWOZODDFQCLH-BPQIPLTHSA-N 2 2 349.500 1.381 20 0 EDADLP O=S(=O)(NCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000362926654 445612577 /nfs/dbraw/zinc/61/25/77/445612577.db2.gz RSKWOZODDFQCLH-BPQIPLTHSA-N 2 2 349.500 1.381 20 0 EDADLP O=S(=O)(NCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000362926654 445612579 /nfs/dbraw/zinc/61/25/79/445612579.db2.gz RSKWOZODDFQCLH-BPQIPLTHSA-N 2 2 349.500 1.381 20 0 EDADLP O=S(=O)(NCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000362926654 445612582 /nfs/dbraw/zinc/61/25/82/445612582.db2.gz RSKWOZODDFQCLH-BPQIPLTHSA-N 2 2 349.500 1.381 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000353467260 445614821 /nfs/dbraw/zinc/61/48/21/445614821.db2.gz LBRRJNPFJBLZRU-STQMWFEESA-N 2 2 335.452 1.405 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc4ccc(OC)nc4[nH]3)C2)CC1 ZINC000353476461 445619924 /nfs/dbraw/zinc/61/99/24/445619924.db2.gz LWVUUIANQVWVQG-CQSZACIVSA-N 2 2 344.463 1.178 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc4ccc(OC)nc4[nH]3)C2)CC1 ZINC000353476461 445619926 /nfs/dbraw/zinc/61/99/26/445619926.db2.gz LWVUUIANQVWVQG-CQSZACIVSA-N 2 2 344.463 1.178 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)C[NH+](C)C)CC2)cc1 ZINC000358519840 445630704 /nfs/dbraw/zinc/63/07/04/445630704.db2.gz GQSPXWWHVUYDJU-MRXNPFEDSA-N 2 2 348.491 1.863 20 0 EDADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353537167 445647414 /nfs/dbraw/zinc/64/74/14/445647414.db2.gz WOJBMAQUPFPDIX-DLBZAZTESA-N 3 2 336.524 1.441 20 0 EDADLP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000358579515 445660415 /nfs/dbraw/zinc/66/04/15/445660415.db2.gz BJUZKHKCYKNSLA-UHFFFAOYSA-N 2 2 346.519 1.782 20 0 EDADLP CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000358579515 445660418 /nfs/dbraw/zinc/66/04/18/445660418.db2.gz BJUZKHKCYKNSLA-UHFFFAOYSA-N 2 2 346.519 1.782 20 0 EDADLP O=C1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]([C@H]2CCCO2)N1 ZINC000353569594 445660794 /nfs/dbraw/zinc/66/07/94/445660794.db2.gz RMLCWLKOLZJGHV-FRQCXROJSA-N 2 2 344.459 1.466 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](CC)CCO3)CC2)cc1 ZINC000363098740 445676889 /nfs/dbraw/zinc/67/68/89/445676889.db2.gz AUODLLHMKJPYBM-FQEVSTJZSA-N 2 2 347.503 1.924 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000358646069 445691975 /nfs/dbraw/zinc/69/19/75/445691975.db2.gz IGBXYIDFZKHSQN-UHFFFAOYSA-N 2 2 338.496 1.391 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3cccc(O)c3)C2)CC1 ZINC000363180398 445709566 /nfs/dbraw/zinc/70/95/66/445709566.db2.gz CQNOAZTUQCWBNR-MRXNPFEDSA-N 2 2 346.475 1.402 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3cccc(O)c3)C2)CC1 ZINC000363180398 445709567 /nfs/dbraw/zinc/70/95/67/445709567.db2.gz CQNOAZTUQCWBNR-MRXNPFEDSA-N 2 2 346.475 1.402 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NC[C@H]3C[N@H+](C)CCO3)CC2)[nH+]c1 ZINC000363202364 445718502 /nfs/dbraw/zinc/71/85/02/445718502.db2.gz QIQXDPFIQMPOMV-INIZCTEOSA-N 2 2 332.448 1.053 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NC[C@H]3C[N@@H+](C)CCO3)CC2)[nH+]c1 ZINC000363202364 445718504 /nfs/dbraw/zinc/71/85/04/445718504.db2.gz QIQXDPFIQMPOMV-INIZCTEOSA-N 2 2 332.448 1.053 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000358781000 445771253 /nfs/dbraw/zinc/77/12/53/445771253.db2.gz BRABFIHSJBRGBQ-IXDOHACOSA-N 2 2 339.528 1.184 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000358781000 445771257 /nfs/dbraw/zinc/77/12/57/445771257.db2.gz BRABFIHSJBRGBQ-IXDOHACOSA-N 2 2 339.528 1.184 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625555616 450426087 /nfs/dbraw/zinc/42/60/87/450426087.db2.gz VQLFIUVOAVNYRY-IBGZPJMESA-N 2 2 348.487 1.840 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000358697409 445724198 /nfs/dbraw/zinc/72/41/98/445724198.db2.gz VGLJIKOGMFZHCR-WBVHZDCISA-N 2 2 326.444 1.978 20 0 EDADLP CC(=O)N(c1nc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cs1)C1CC1 ZINC000363218914 445725995 /nfs/dbraw/zinc/72/59/95/445725995.db2.gz NCWWUJIMSGIODE-LBPRGKRZSA-N 2 2 331.445 1.960 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C2 ZINC000363249490 445739464 /nfs/dbraw/zinc/73/94/64/445739464.db2.gz YHRFKRIOQCJPFY-UHFFFAOYSA-N 2 2 335.452 1.136 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000363256771 445742975 /nfs/dbraw/zinc/74/29/75/445742975.db2.gz OVCFTKSTXMCHRS-VGWMRTNUSA-N 2 2 336.480 1.273 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000363256771 445742977 /nfs/dbraw/zinc/74/29/77/445742977.db2.gz OVCFTKSTXMCHRS-VGWMRTNUSA-N 2 2 336.480 1.273 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000363256771 445742981 /nfs/dbraw/zinc/74/29/81/445742981.db2.gz OVCFTKSTXMCHRS-VGWMRTNUSA-N 2 2 336.480 1.273 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000363256771 445742985 /nfs/dbraw/zinc/74/29/85/445742985.db2.gz OVCFTKSTXMCHRS-VGWMRTNUSA-N 2 2 336.480 1.273 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000356345155 445744107 /nfs/dbraw/zinc/74/41/07/445744107.db2.gz ORVUKFAKUQWRMG-FUHWJXTLSA-N 2 2 337.508 1.701 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000356345155 445744112 /nfs/dbraw/zinc/74/41/12/445744112.db2.gz ORVUKFAKUQWRMG-FUHWJXTLSA-N 2 2 337.508 1.701 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363304097 445758684 /nfs/dbraw/zinc/75/86/84/445758684.db2.gz YTDXOBAXUHQRPS-HOTGVXAUSA-N 2 2 334.464 1.454 20 0 EDADLP C[C@H](CNC(=O)C1(N2CC[NH+](C)CC2)CCCC1)C[NH+]1CCCC1 ZINC000363327649 445767832 /nfs/dbraw/zinc/76/78/32/445767832.db2.gz SFKSGXMTULSGEF-QGZVFWFLSA-N 2 2 336.524 1.395 20 0 EDADLP CC[N@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000361454889 445768297 /nfs/dbraw/zinc/76/82/97/445768297.db2.gz XDQBVJHYXYTKRS-UHFFFAOYSA-N 2 2 325.478 1.097 20 0 EDADLP CC[N@@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000361454889 445768300 /nfs/dbraw/zinc/76/83/00/445768300.db2.gz XDQBVJHYXYTKRS-UHFFFAOYSA-N 2 2 325.478 1.097 20 0 EDADLP CO[C@@H](C)c1noc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363482151 445824031 /nfs/dbraw/zinc/82/40/31/445824031.db2.gz XQJRDCFCGRBFPE-ZFWWWQNUSA-N 2 2 337.468 1.377 20 0 EDADLP CO[C@@H](C)c1noc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363482151 445824034 /nfs/dbraw/zinc/82/40/34/445824034.db2.gz XQJRDCFCGRBFPE-ZFWWWQNUSA-N 2 2 337.468 1.377 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000358832534 445799192 /nfs/dbraw/zinc/79/91/92/445799192.db2.gz RUFYPWDLKJLFQP-ZACQAIPSSA-N 2 2 345.491 1.001 20 0 EDADLP CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519228 445799907 /nfs/dbraw/zinc/79/99/07/445799907.db2.gz NBKYYQDBWZBQMH-HNNXBMFYSA-N 2 2 334.464 1.907 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@]2(C)CCCO)CC1 ZINC000361532800 445807576 /nfs/dbraw/zinc/80/75/76/445807576.db2.gz ZGKSIYGRPLSOPU-GOSISDBHSA-N 2 2 340.512 1.349 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H]2CCCCNC2=O)CC1 ZINC000363448902 445808009 /nfs/dbraw/zinc/80/80/09/445808009.db2.gz HVBHMDAUYKUIQR-KRWDZBQOSA-N 2 2 333.480 1.258 20 0 EDADLP Cc1[nH+]ccn1CCCCN1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000363448902 445808013 /nfs/dbraw/zinc/80/80/13/445808013.db2.gz HVBHMDAUYKUIQR-KRWDZBQOSA-N 2 2 333.480 1.258 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684782 445876677 /nfs/dbraw/zinc/87/66/77/445876677.db2.gz AWVWCYFABKFQDB-CRAIPNDOSA-N 3 2 334.508 1.146 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684782 445876681 /nfs/dbraw/zinc/87/66/81/445876681.db2.gz AWVWCYFABKFQDB-CRAIPNDOSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684782 445876686 /nfs/dbraw/zinc/87/66/86/445876686.db2.gz AWVWCYFABKFQDB-CRAIPNDOSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684782 445876691 /nfs/dbraw/zinc/87/66/91/445876691.db2.gz AWVWCYFABKFQDB-CRAIPNDOSA-N 3 2 334.508 1.146 20 0 EDADLP CCC[C@H]1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000356614090 445886975 /nfs/dbraw/zinc/88/69/75/445886975.db2.gz SVUVJOGZBZKYSR-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000353973892 445835044 /nfs/dbraw/zinc/83/50/44/445835044.db2.gz QZILYJXKTRRNPS-GUYCJALGSA-N 2 2 327.428 1.745 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000353973892 445835046 /nfs/dbraw/zinc/83/50/46/445835046.db2.gz QZILYJXKTRRNPS-GUYCJALGSA-N 2 2 327.428 1.745 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c(C)c1 ZINC000582058344 325762656 /nfs/dbraw/zinc/76/26/56/325762656.db2.gz XLLQJPJDIXNCHQ-SJLPKXTDSA-N 2 2 336.476 1.601 20 0 EDADLP CCCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372941898 445934477 /nfs/dbraw/zinc/93/44/77/445934477.db2.gz GNHBESRCUUMTAA-OAHLLOKOSA-N 2 2 346.475 1.769 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCC2)[C@H](C)C1 ZINC000359037628 445902094 /nfs/dbraw/zinc/90/20/94/445902094.db2.gz SCBWMUJFUMUHAU-CVEARBPZSA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCC2)[C@H](C)C1 ZINC000359037628 445902100 /nfs/dbraw/zinc/90/21/00/445902100.db2.gz SCBWMUJFUMUHAU-CVEARBPZSA-N 2 2 346.537 1.680 20 0 EDADLP C[C@H]1c2cccn2CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364228621 445903134 /nfs/dbraw/zinc/90/31/34/445903134.db2.gz DPKBFQGAUHOIAY-JKSUJKDBSA-N 2 2 345.491 1.743 20 0 EDADLP C[C@H]1c2cccn2CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364228621 445903137 /nfs/dbraw/zinc/90/31/37/445903137.db2.gz DPKBFQGAUHOIAY-JKSUJKDBSA-N 2 2 345.491 1.743 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000369126939 445942633 /nfs/dbraw/zinc/94/26/33/445942633.db2.gz NBNMJXSVDKHBIA-QGZVFWFLSA-N 2 2 346.475 1.522 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000369126939 445942637 /nfs/dbraw/zinc/94/26/37/445942637.db2.gz NBNMJXSVDKHBIA-QGZVFWFLSA-N 2 2 346.475 1.522 20 0 EDADLP CN(C(=O)[C@@H](O)C1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364843871 445961014 /nfs/dbraw/zinc/96/10/14/445961014.db2.gz CHUYGTHOXKGIAO-MSOLQXFVSA-N 2 2 337.508 1.555 20 0 EDADLP CN(C(=O)[C@@H](O)C1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364843871 445961021 /nfs/dbraw/zinc/96/10/21/445961021.db2.gz CHUYGTHOXKGIAO-MSOLQXFVSA-N 2 2 337.508 1.555 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354168138 445965191 /nfs/dbraw/zinc/96/51/91/445965191.db2.gz VMRMXRBVOMGGDW-IBGZPJMESA-N 2 2 347.507 1.483 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354168138 445965198 /nfs/dbraw/zinc/96/51/98/445965198.db2.gz VMRMXRBVOMGGDW-IBGZPJMESA-N 2 2 347.507 1.483 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354168138 445965204 /nfs/dbraw/zinc/96/52/04/445965204.db2.gz VMRMXRBVOMGGDW-IBGZPJMESA-N 2 2 347.507 1.483 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354168138 445965210 /nfs/dbraw/zinc/96/52/10/445965210.db2.gz VMRMXRBVOMGGDW-IBGZPJMESA-N 2 2 347.507 1.483 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2nccn2C(C)C)CC1 ZINC000365017034 445975303 /nfs/dbraw/zinc/97/53/03/445975303.db2.gz WJYRLEZVRJQNGQ-RDJZCZTQSA-N 2 2 335.496 1.872 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000365017034 445975316 /nfs/dbraw/zinc/97/53/16/445975316.db2.gz WJYRLEZVRJQNGQ-RDJZCZTQSA-N 2 2 335.496 1.872 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3-c3ccoc3)C2)CC1 ZINC000366049506 445982018 /nfs/dbraw/zinc/98/20/18/445982018.db2.gz AFKCPNWMDYWFMZ-AWEZNQCLSA-N 2 2 343.431 1.568 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3-c3ccoc3)C2)CC1 ZINC000366049506 445982022 /nfs/dbraw/zinc/98/20/22/445982022.db2.gz AFKCPNWMDYWFMZ-AWEZNQCLSA-N 2 2 343.431 1.568 20 0 EDADLP CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369265943 446030764 /nfs/dbraw/zinc/03/07/64/446030764.db2.gz JSTBQFUTIUJWCU-INIZCTEOSA-N 2 2 331.460 1.984 20 0 EDADLP CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369265943 446030767 /nfs/dbraw/zinc/03/07/67/446030767.db2.gz JSTBQFUTIUJWCU-INIZCTEOSA-N 2 2 331.460 1.984 20 0 EDADLP Cc1cn2c(n1)C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000625561635 450428456 /nfs/dbraw/zinc/42/84/56/450428456.db2.gz UGGUJWJXHUHRDQ-INIZCTEOSA-N 2 2 347.507 1.238 20 0 EDADLP Cc1cn2c(n1)C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000625561635 450428458 /nfs/dbraw/zinc/42/84/58/450428458.db2.gz UGGUJWJXHUHRDQ-INIZCTEOSA-N 2 2 347.507 1.238 20 0 EDADLP COc1ccc(OC)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369275722 446040225 /nfs/dbraw/zinc/04/02/25/446040225.db2.gz CHWQJCKGFGKHND-CQSZACIVSA-N 2 2 347.459 1.602 20 0 EDADLP COc1ccc(OC)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369275722 446040227 /nfs/dbraw/zinc/04/02/27/446040227.db2.gz CHWQJCKGFGKHND-CQSZACIVSA-N 2 2 347.459 1.602 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000625561635 450428460 /nfs/dbraw/zinc/42/84/60/450428460.db2.gz UGGUJWJXHUHRDQ-INIZCTEOSA-N 3 2 347.507 1.238 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000625561635 450428466 /nfs/dbraw/zinc/42/84/66/450428466.db2.gz UGGUJWJXHUHRDQ-INIZCTEOSA-N 3 2 347.507 1.238 20 0 EDADLP Cn1ccc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccc(F)cc2)n1 ZINC000359216722 446045887 /nfs/dbraw/zinc/04/58/87/446045887.db2.gz GAIVGGWGVUGRLT-LJQANCHMSA-N 2 2 345.466 1.876 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CC[NH+]([C@H]3CCSC3)CC2)nc[nH+]1 ZINC000373060962 446000576 /nfs/dbraw/zinc/00/05/76/446000576.db2.gz YEVMFKNQAYTGHW-CABCVRRESA-N 2 2 349.504 1.065 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351386654 446053162 /nfs/dbraw/zinc/05/31/62/446053162.db2.gz PEFCLTUFSKPZBG-CRAIPNDOSA-N 2 2 331.460 1.792 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351386654 446053166 /nfs/dbraw/zinc/05/31/66/446053166.db2.gz PEFCLTUFSKPZBG-CRAIPNDOSA-N 2 2 331.460 1.792 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351386654 446053170 /nfs/dbraw/zinc/05/31/70/446053170.db2.gz PEFCLTUFSKPZBG-CRAIPNDOSA-N 2 2 331.460 1.792 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351386654 446053175 /nfs/dbraw/zinc/05/31/75/446053175.db2.gz PEFCLTUFSKPZBG-CRAIPNDOSA-N 2 2 331.460 1.792 20 0 EDADLP C[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000583692374 326120507 /nfs/dbraw/zinc/12/05/07/326120507.db2.gz XPBMAGQNLZYXEE-UONOGXRCSA-N 2 2 329.366 1.824 20 0 EDADLP C[N@H+]1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000583692374 326120510 /nfs/dbraw/zinc/12/05/10/326120510.db2.gz XPBMAGQNLZYXEE-UONOGXRCSA-N 2 2 329.366 1.824 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000356836175 446057373 /nfs/dbraw/zinc/05/73/73/446057373.db2.gz HBWPEIJPTBZGPQ-ROUUACIJSA-N 3 2 332.492 1.998 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000354276576 446073453 /nfs/dbraw/zinc/07/34/53/446073453.db2.gz JXAJKOGQTQRBBT-BMFZPTHFSA-N 2 2 346.479 1.281 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C2 ZINC000369331975 446078483 /nfs/dbraw/zinc/07/84/83/446078483.db2.gz PEJCPZDOQDPRMU-KRWDZBQOSA-N 2 2 333.480 1.998 20 0 EDADLP Cc1cccc(NC(=O)[C@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)n1 ZINC000351536637 446136773 /nfs/dbraw/zinc/13/67/73/446136773.db2.gz NOGNFNPGFKADCX-DOTOQJQBSA-N 2 2 346.475 1.496 20 0 EDADLP Cc1cccc(NC(=O)[C@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)n1 ZINC000351536637 446136782 /nfs/dbraw/zinc/13/67/82/446136782.db2.gz NOGNFNPGFKADCX-DOTOQJQBSA-N 2 2 346.475 1.496 20 0 EDADLP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)n1 ZINC000351536637 446136789 /nfs/dbraw/zinc/13/67/89/446136789.db2.gz NOGNFNPGFKADCX-DOTOQJQBSA-N 2 2 346.475 1.496 20 0 EDADLP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)n1 ZINC000351536637 446136795 /nfs/dbraw/zinc/13/67/95/446136795.db2.gz NOGNFNPGFKADCX-DOTOQJQBSA-N 2 2 346.475 1.496 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000366220844 446089656 /nfs/dbraw/zinc/08/96/56/446089656.db2.gz WCTSCGHLPFGFPT-IAOVAPTHSA-N 2 2 328.420 1.176 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000366220844 446089663 /nfs/dbraw/zinc/08/96/63/446089663.db2.gz WCTSCGHLPFGFPT-IAOVAPTHSA-N 2 2 328.420 1.176 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)C1 ZINC000369357813 446100100 /nfs/dbraw/zinc/10/01/00/446100100.db2.gz ICYLCMSPAPKDDF-AWEZNQCLSA-N 2 2 345.413 1.657 20 0 EDADLP C[N@H+]1CCC[C@H](N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)C1 ZINC000369357813 446100104 /nfs/dbraw/zinc/10/01/04/446100104.db2.gz ICYLCMSPAPKDDF-AWEZNQCLSA-N 2 2 345.413 1.657 20 0 EDADLP CN(Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369369196 446109806 /nfs/dbraw/zinc/10/98/06/446109806.db2.gz FHFLCTKFFYOPRC-MRXNPFEDSA-N 2 2 346.475 1.702 20 0 EDADLP CN(Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369369196 446109809 /nfs/dbraw/zinc/10/98/09/446109809.db2.gz FHFLCTKFFYOPRC-MRXNPFEDSA-N 2 2 346.475 1.702 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCC1(c2ccccc2)CCCC1 ZINC000359281679 446117820 /nfs/dbraw/zinc/11/78/20/446117820.db2.gz IFRGRZRQPWHRDQ-IAGOWNOFSA-N 2 2 327.472 1.766 20 0 EDADLP CC(C)CN(C(=O)C1([NH+]2CCOCC2)CCC1)C1CC[NH+](C)CC1 ZINC000373317176 446161607 /nfs/dbraw/zinc/16/16/07/446161607.db2.gz IIVSTWJVWIRUNQ-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000369889932 446164426 /nfs/dbraw/zinc/16/44/26/446164426.db2.gz VJYMMZOSFWEFGB-OAHLLOKOSA-N 2 2 349.479 1.198 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000369889932 446164431 /nfs/dbraw/zinc/16/44/31/446164431.db2.gz VJYMMZOSFWEFGB-OAHLLOKOSA-N 2 2 349.479 1.198 20 0 EDADLP Cc1cccc(NC[C@@H]2CCCN2C(=O)c2n[nH]c3c2C[NH2+]CC3)[nH+]1 ZINC000369890638 446165184 /nfs/dbraw/zinc/16/51/84/446165184.db2.gz AFLDFFAOKCYEHO-ZDUSSCGKSA-N 2 2 340.431 1.476 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1cccs1 ZINC000373308429 446157164 /nfs/dbraw/zinc/15/71/64/446157164.db2.gz AFLXTIFIKUPTOZ-LSDHHAIUSA-N 2 2 337.489 1.722 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)NCC[N@H+]3CC=CCC3)CC2)[nH+]c1 ZINC000373392501 446197486 /nfs/dbraw/zinc/19/74/86/446197486.db2.gz JJWRBMRWMLGMIB-UHFFFAOYSA-N 2 2 343.475 1.920 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)NCC[N@@H+]3CC=CCC3)CC2)[nH+]c1 ZINC000373392501 446197494 /nfs/dbraw/zinc/19/74/94/446197494.db2.gz JJWRBMRWMLGMIB-UHFFFAOYSA-N 2 2 343.475 1.920 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NC1CC[NH+](Cc2cscn2)CC1 ZINC000365421834 446199883 /nfs/dbraw/zinc/19/98/83/446199883.db2.gz IIRWXAZGESNMPC-UHFFFAOYSA-N 2 2 349.504 1.669 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NC1CC[NH+](Cc2cscn2)CC1 ZINC000365421834 446199887 /nfs/dbraw/zinc/19/98/87/446199887.db2.gz IIRWXAZGESNMPC-UHFFFAOYSA-N 2 2 349.504 1.669 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000365430148 446204116 /nfs/dbraw/zinc/20/41/16/446204116.db2.gz VDJCHBXJILCSOM-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000365430148 446204121 /nfs/dbraw/zinc/20/41/21/446204121.db2.gz VDJCHBXJILCSOM-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP c1nc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc(N2CCOCC2)[nH+]1 ZINC000365450732 446212843 /nfs/dbraw/zinc/21/28/43/446212843.db2.gz LSKBXNYXFOXCQH-HOTGVXAUSA-N 2 2 347.463 1.226 20 0 EDADLP c1nc(N2CCOCC2)cc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)[nH+]1 ZINC000365450732 446212846 /nfs/dbraw/zinc/21/28/46/446212846.db2.gz LSKBXNYXFOXCQH-HOTGVXAUSA-N 2 2 347.463 1.226 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000365459145 446218091 /nfs/dbraw/zinc/21/80/91/446218091.db2.gz LRGNLLGPXCCZQY-HZPDHXFCSA-N 2 2 349.479 1.561 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000365459145 446218093 /nfs/dbraw/zinc/21/80/93/446218093.db2.gz LRGNLLGPXCCZQY-HZPDHXFCSA-N 2 2 349.479 1.561 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCO1 ZINC000365493224 446230806 /nfs/dbraw/zinc/23/08/06/446230806.db2.gz AGOQSVMXIUUWPN-HZPDHXFCSA-N 2 2 349.479 1.800 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2nnc(C)s2)CC1 ZINC000370335522 446234838 /nfs/dbraw/zinc/23/48/38/446234838.db2.gz UDPFGICPEFCUJU-HNNXBMFYSA-N 2 2 339.509 1.516 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2nnc(C)s2)CC1 ZINC000370335522 446234841 /nfs/dbraw/zinc/23/48/41/446234841.db2.gz UDPFGICPEFCUJU-HNNXBMFYSA-N 2 2 339.509 1.516 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000373492421 446236284 /nfs/dbraw/zinc/23/62/84/446236284.db2.gz BIQLPZFTLHSOTH-SFHVURJKSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000373492421 446236289 /nfs/dbraw/zinc/23/62/89/446236289.db2.gz BIQLPZFTLHSOTH-SFHVURJKSA-N 2 2 335.492 1.574 20 0 EDADLP CN(C(=O)NC[C@]1(C)CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373503262 446241114 /nfs/dbraw/zinc/24/11/14/446241114.db2.gz BKVVTCFNRKSIIU-AEFFLSMTSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NC[C@]1(C)CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373503262 446241120 /nfs/dbraw/zinc/24/11/20/446241120.db2.gz BKVVTCFNRKSIIU-AEFFLSMTSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)C(=O)OC ZINC000362182586 446250423 /nfs/dbraw/zinc/25/04/23/446250423.db2.gz MYZVRMPUKVWGJP-JKQORVJESA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1)C(=O)OC ZINC000362182586 446250426 /nfs/dbraw/zinc/25/04/26/446250426.db2.gz MYZVRMPUKVWGJP-JKQORVJESA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)C(=O)OC ZINC000362182586 446250430 /nfs/dbraw/zinc/25/04/30/446250430.db2.gz MYZVRMPUKVWGJP-JKQORVJESA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)C(=O)OC ZINC000362182586 446250432 /nfs/dbraw/zinc/25/04/32/446250432.db2.gz MYZVRMPUKVWGJP-JKQORVJESA-N 2 2 341.496 1.495 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c(C)[nH+]1 ZINC000362210456 446263986 /nfs/dbraw/zinc/26/39/86/446263986.db2.gz HJDBFSUTDSQBQA-UHFFFAOYSA-N 2 2 330.432 1.770 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000370426436 446272904 /nfs/dbraw/zinc/27/29/04/446272904.db2.gz XWDKSCDROOWPPL-MSOLQXFVSA-N 2 2 331.460 1.613 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000370426436 446272907 /nfs/dbraw/zinc/27/29/07/446272907.db2.gz XWDKSCDROOWPPL-MSOLQXFVSA-N 2 2 331.460 1.613 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417506697 446357104 /nfs/dbraw/zinc/35/71/04/446357104.db2.gz NZILSOJEAWCXFC-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417506697 446357108 /nfs/dbraw/zinc/35/71/08/446357108.db2.gz NZILSOJEAWCXFC-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP Cc1[nH+]c(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c2n1CCCC2 ZINC000376153400 446358302 /nfs/dbraw/zinc/35/83/02/446358302.db2.gz YOZRWUAVICCBNA-ZIAGYGMSSA-N 2 2 349.479 1.436 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000417513550 446359549 /nfs/dbraw/zinc/35/95/49/446359549.db2.gz YHKQQXGBGWRRSH-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000417513550 446359553 /nfs/dbraw/zinc/35/95/53/446359553.db2.gz YHKQQXGBGWRRSH-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000417656256 446368374 /nfs/dbraw/zinc/36/83/74/446368374.db2.gz GDQBEQDDNDYUOL-WFASDCNBSA-N 2 2 340.418 1.961 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCn3c[nH+]cc3C2)n1 ZINC000370678217 446382333 /nfs/dbraw/zinc/38/23/33/446382333.db2.gz VEEBHLFRZMVLTG-DOTOQJQBSA-N 2 2 342.447 2.309 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417959610 446400317 /nfs/dbraw/zinc/40/03/17/446400317.db2.gz WQJGZQXYFQQFPV-CABCVRRESA-N 2 2 326.391 1.619 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417959610 446400321 /nfs/dbraw/zinc/40/03/21/446400321.db2.gz WQJGZQXYFQQFPV-CABCVRRESA-N 2 2 326.391 1.619 20 0 EDADLP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365892787 446390900 /nfs/dbraw/zinc/39/09/00/446390900.db2.gz FFCKWBKCVBJBCO-SFHVURJKSA-N 3 2 336.524 1.345 20 0 EDADLP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365892787 446390904 /nfs/dbraw/zinc/39/09/04/446390904.db2.gz FFCKWBKCVBJBCO-SFHVURJKSA-N 3 2 336.524 1.345 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000374789290 446393560 /nfs/dbraw/zinc/39/35/60/446393560.db2.gz URKHMSKNAFVNRZ-UHFFFAOYSA-N 2 2 331.416 1.487 20 0 EDADLP CCSc1nccnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374052047 446349228 /nfs/dbraw/zinc/34/92/28/446349228.db2.gz PPTKMEAREIPSFX-CYBMUJFWSA-N 2 2 349.504 1.487 20 0 EDADLP CCSc1nccnc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374052047 446349230 /nfs/dbraw/zinc/34/92/30/446349230.db2.gz PPTKMEAREIPSFX-CYBMUJFWSA-N 2 2 349.504 1.487 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000418187419 446452350 /nfs/dbraw/zinc/45/23/50/446452350.db2.gz SQJOEVUKMZGRGP-GJZGRUSLSA-N 2 2 337.468 1.705 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420252788 446433478 /nfs/dbraw/zinc/43/34/78/446433478.db2.gz OMOFHBFGGATGRC-MLGOLLRUSA-N 2 2 329.400 1.134 20 0 EDADLP [NH3+]C1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000420272020 446442508 /nfs/dbraw/zinc/44/25/08/446442508.db2.gz LKVIJSCDBAVUDZ-CQSZACIVSA-N 2 2 338.249 1.978 20 0 EDADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1CCC[NH+]1CCCC1 ZINC000366903395 446404608 /nfs/dbraw/zinc/40/46/08/446404608.db2.gz MXUUYCMDUZRJDX-GOSISDBHSA-N 2 2 341.459 1.602 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000411136020 446407857 /nfs/dbraw/zinc/40/78/57/446407857.db2.gz QKNYJYQOPDWCKH-AWEZNQCLSA-N 2 2 332.448 1.936 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000411265265 446453963 /nfs/dbraw/zinc/45/39/63/446453963.db2.gz IRGJMMFQEFXBJD-OAHLLOKOSA-N 2 2 332.448 1.746 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000411265265 446453970 /nfs/dbraw/zinc/45/39/70/446453970.db2.gz IRGJMMFQEFXBJD-OAHLLOKOSA-N 2 2 332.448 1.746 20 0 EDADLP FC(F)CN1CCC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000423224565 446458236 /nfs/dbraw/zinc/45/82/36/446458236.db2.gz CMNWHCQPTOXNGC-UHFFFAOYSA-N 2 2 325.407 1.633 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(C)[nH+]1 ZINC000411280005 446463715 /nfs/dbraw/zinc/46/37/15/446463715.db2.gz DBUZJTDTWZWGEY-OAHLLOKOSA-N 2 2 330.432 1.642 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(C)[nH+]1 ZINC000411280005 446463723 /nfs/dbraw/zinc/46/37/23/446463723.db2.gz DBUZJTDTWZWGEY-OAHLLOKOSA-N 2 2 330.432 1.642 20 0 EDADLP CN(C(=O)/C=C/c1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831217 446465452 /nfs/dbraw/zinc/46/54/52/446465452.db2.gz SSHKSBIVVACMAL-DUMMIQTOSA-N 2 2 328.460 1.722 20 0 EDADLP CN(C(=O)/C=C/c1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831217 446465455 /nfs/dbraw/zinc/46/54/55/446465455.db2.gz SSHKSBIVVACMAL-DUMMIQTOSA-N 2 2 328.460 1.722 20 0 EDADLP CS(=O)(=O)N(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000420306345 446470680 /nfs/dbraw/zinc/47/06/80/446470680.db2.gz ATMSATMZKUBJSK-IAGOWNOFSA-N 2 2 337.489 1.132 20 0 EDADLP CS(=O)(=O)N(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000420306345 446470683 /nfs/dbraw/zinc/47/06/83/446470683.db2.gz ATMSATMZKUBJSK-IAGOWNOFSA-N 2 2 337.489 1.132 20 0 EDADLP COC(=O)c1coc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000367031281 446476795 /nfs/dbraw/zinc/47/67/95/446476795.db2.gz UPXLIWYXNFQSQX-YOEHRIQHSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1coc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000367031281 446476797 /nfs/dbraw/zinc/47/67/97/446476797.db2.gz UPXLIWYXNFQSQX-YOEHRIQHSA-N 2 2 335.448 1.524 20 0 EDADLP CC[N@H+](CCCNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000423308301 446482655 /nfs/dbraw/zinc/48/26/55/446482655.db2.gz IYLTTXNLENFVJX-UHFFFAOYSA-N 2 2 330.436 1.273 20 0 EDADLP CC[N@@H+](CCCNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000423308301 446482662 /nfs/dbraw/zinc/48/26/62/446482662.db2.gz IYLTTXNLENFVJX-UHFFFAOYSA-N 2 2 330.436 1.273 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420316105 446481973 /nfs/dbraw/zinc/48/19/73/446481973.db2.gz XSUPCRXUTMNNJU-BHYGNILZSA-N 2 2 345.443 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420316105 446481976 /nfs/dbraw/zinc/48/19/76/446481976.db2.gz XSUPCRXUTMNNJU-BHYGNILZSA-N 2 2 345.443 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000420316770 446482115 /nfs/dbraw/zinc/48/21/15/446482115.db2.gz NQOPHYHCRCRPJI-GOSISDBHSA-N 2 2 333.432 1.253 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000420316770 446482119 /nfs/dbraw/zinc/48/21/19/446482119.db2.gz NQOPHYHCRCRPJI-GOSISDBHSA-N 2 2 333.432 1.253 20 0 EDADLP C[N@H+](CC(=O)NCC1CCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375010382 446510375 /nfs/dbraw/zinc/51/03/75/446510375.db2.gz ATZKYFYCDUCVCB-UHFFFAOYSA-N 2 2 344.503 1.937 20 0 EDADLP C[C@@H]1C[C@H](C)[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000367153550 446515225 /nfs/dbraw/zinc/51/52/25/446515225.db2.gz NASHSLUBJINTLX-GVDBMIGSSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000420389063 446565179 /nfs/dbraw/zinc/56/51/79/446565179.db2.gz NJBIIUMJSQKJCH-LJQANCHMSA-N 2 2 349.475 1.812 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000420389063 446565188 /nfs/dbraw/zinc/56/51/88/446565188.db2.gz NJBIIUMJSQKJCH-LJQANCHMSA-N 2 2 349.475 1.812 20 0 EDADLP O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000420344116 446517292 /nfs/dbraw/zinc/51/72/92/446517292.db2.gz SDCLWFPTZKWFLE-DLBZAZTESA-N 2 2 348.516 1.076 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c(Br)c1 ZINC000420349937 446527402 /nfs/dbraw/zinc/52/74/02/446527402.db2.gz FGIDQLWVGLKCNG-QWRGUYRKSA-N 2 2 344.253 1.336 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c(Br)c1 ZINC000420349937 446527406 /nfs/dbraw/zinc/52/74/06/446527406.db2.gz FGIDQLWVGLKCNG-QWRGUYRKSA-N 2 2 344.253 1.336 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)[nH+]1 ZINC000411412844 446528554 /nfs/dbraw/zinc/52/85/54/446528554.db2.gz CFKDCVZBFBAGAJ-ZFWWWQNUSA-N 2 2 332.448 1.886 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)[nH+]1 ZINC000411412844 446528563 /nfs/dbraw/zinc/52/85/63/446528563.db2.gz CFKDCVZBFBAGAJ-ZFWWWQNUSA-N 2 2 332.448 1.886 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(F)cccc1F ZINC000423425443 446531313 /nfs/dbraw/zinc/53/13/13/446531313.db2.gz GSSJQADRPNDYDK-LRDDRELGSA-N 2 2 339.386 1.145 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000423429085 446533135 /nfs/dbraw/zinc/53/31/35/446533135.db2.gz KWRHKXWKGGMALJ-CRAIPNDOSA-N 2 2 331.460 1.241 20 0 EDADLP C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411432453 446539165 /nfs/dbraw/zinc/53/91/65/446539165.db2.gz WGDSOPOLNQPWSJ-QGZVFWFLSA-N 2 2 345.487 1.698 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420360169 446539992 /nfs/dbraw/zinc/53/99/92/446539992.db2.gz GHTQNSOCVCSIJG-HNAYVOBHSA-N 2 2 333.451 1.948 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420360169 446539995 /nfs/dbraw/zinc/53/99/95/446539995.db2.gz GHTQNSOCVCSIJG-HNAYVOBHSA-N 2 2 333.451 1.948 20 0 EDADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359758 446540159 /nfs/dbraw/zinc/54/01/59/446540159.db2.gz WBIIZSOYCSMCRQ-CRAIPNDOSA-N 2 2 341.455 1.532 20 0 EDADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359758 446540162 /nfs/dbraw/zinc/54/01/62/446540162.db2.gz WBIIZSOYCSMCRQ-CRAIPNDOSA-N 2 2 341.455 1.532 20 0 EDADLP C[NH2+]CCC[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC000420366369 446545599 /nfs/dbraw/zinc/54/55/99/446545599.db2.gz UFCDEVSQEKTTDN-MRXNPFEDSA-N 2 2 339.867 1.781 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000420366325 446546510 /nfs/dbraw/zinc/54/65/10/446546510.db2.gz MCVWRCZQSBBAQC-CLCXKQKWSA-N 2 2 345.491 1.987 20 0 EDADLP C[C@@H]1CC(=O)NCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367446045 446548518 /nfs/dbraw/zinc/54/85/18/446548518.db2.gz BBIBEQDMVHVRAX-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1CC(=O)NCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367446045 446548524 /nfs/dbraw/zinc/54/85/24/446548524.db2.gz BBIBEQDMVHVRAX-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1CC(=O)NCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000367446045 446548528 /nfs/dbraw/zinc/54/85/28/446548528.db2.gz BBIBEQDMVHVRAX-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1CC(=O)NCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000367446045 446548534 /nfs/dbraw/zinc/54/85/34/446548534.db2.gz BBIBEQDMVHVRAX-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccccc1OCC(=O)N(C)C ZINC000423476054 446551467 /nfs/dbraw/zinc/55/14/67/446551467.db2.gz JSQISHYMXRJSSR-WBVHZDCISA-N 2 2 348.491 1.098 20 0 EDADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccccc1OCC(=O)N(C)C ZINC000423476053 446552191 /nfs/dbraw/zinc/55/21/91/446552191.db2.gz JSQISHYMXRJSSR-RDJZCZTQSA-N 2 2 348.491 1.098 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000434006459 446616361 /nfs/dbraw/zinc/61/63/61/446616361.db2.gz PFQOYFKOBBZWQJ-DZGCQCFKSA-N 2 2 347.419 1.340 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000420398920 446573033 /nfs/dbraw/zinc/57/30/33/446573033.db2.gz HEIMPVXAXUCFOM-KBPBESRZSA-N 2 2 346.500 1.872 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000420398920 446573041 /nfs/dbraw/zinc/57/30/41/446573041.db2.gz HEIMPVXAXUCFOM-KBPBESRZSA-N 2 2 346.500 1.872 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371044103 446593270 /nfs/dbraw/zinc/59/32/70/446593270.db2.gz MZFLWRURXXYIKJ-HUUCEWRRSA-N 2 2 335.452 1.030 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371044103 446593274 /nfs/dbraw/zinc/59/32/74/446593274.db2.gz MZFLWRURXXYIKJ-HUUCEWRRSA-N 2 2 335.452 1.030 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418696020 446651162 /nfs/dbraw/zinc/65/11/62/446651162.db2.gz YVTVMEWSDJKZBX-JQHSSLGASA-N 2 2 346.475 1.409 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418696020 446651171 /nfs/dbraw/zinc/65/11/71/446651171.db2.gz YVTVMEWSDJKZBX-JQHSSLGASA-N 2 2 346.475 1.409 20 0 EDADLP CC1(C)CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[NH2+]1 ZINC000423711463 446653565 /nfs/dbraw/zinc/65/35/65/446653565.db2.gz RSNWVIMXTSMCFO-INIZCTEOSA-N 2 2 333.501 1.987 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)[C@@H](c2ccccc2)C1 ZINC000423719861 446658421 /nfs/dbraw/zinc/65/84/21/446658421.db2.gz CNMDQQOFWLYVLH-QGZVFWFLSA-N 2 2 342.447 1.146 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)[C@@H](c2ccccc2)C1 ZINC000423719861 446658423 /nfs/dbraw/zinc/65/84/23/446658423.db2.gz CNMDQQOFWLYVLH-QGZVFWFLSA-N 2 2 342.447 1.146 20 0 EDADLP CO[C@@H](C)CN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000376711650 446667753 /nfs/dbraw/zinc/66/77/53/446667753.db2.gz NPXOHTQHSUQZNB-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)CC[C@H]21 ZINC000418748335 446668799 /nfs/dbraw/zinc/66/87/99/446668799.db2.gz BDOUGFVAEDZQMX-HZSPNIEDSA-N 2 2 330.423 1.357 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)CC[C@H]21 ZINC000418748335 446668802 /nfs/dbraw/zinc/66/88/02/446668802.db2.gz BDOUGFVAEDZQMX-HZSPNIEDSA-N 2 2 330.423 1.357 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000375168354 446620805 /nfs/dbraw/zinc/62/08/05/446620805.db2.gz VDARIVSIEXSCJU-UHFFFAOYSA-N 2 2 340.431 1.646 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000434255927 446631744 /nfs/dbraw/zinc/63/17/44/446631744.db2.gz KAYQODWQMDUFJE-IRXDYDNUSA-N 2 2 340.512 1.471 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000423758454 446686806 /nfs/dbraw/zinc/68/68/06/446686806.db2.gz NUSWNPLGQOLHES-ZFWWWQNUSA-N 2 2 337.489 1.402 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000423757912 446687828 /nfs/dbraw/zinc/68/78/28/446687828.db2.gz MXXOPTQNROXOTI-OCCSQVGLSA-N 2 2 325.478 1.402 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])COC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423820339 446710081 /nfs/dbraw/zinc/71/00/81/446710081.db2.gz GNOLAXAOOCGGEI-IPYPFGDCSA-N 2 2 345.365 1.329 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])COC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423820339 446710084 /nfs/dbraw/zinc/71/00/84/446710084.db2.gz GNOLAXAOOCGGEI-IPYPFGDCSA-N 2 2 345.365 1.329 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423829554 446719801 /nfs/dbraw/zinc/71/98/01/446719801.db2.gz PFUZMLJBTQFCQB-QLFBSQMISA-N 2 2 341.814 1.329 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423829554 446719804 /nfs/dbraw/zinc/71/98/04/446719804.db2.gz PFUZMLJBTQFCQB-QLFBSQMISA-N 2 2 341.814 1.329 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000423835486 446723000 /nfs/dbraw/zinc/72/30/00/446723000.db2.gz VJCOPWUYFMTXTB-ISTRZQFTSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000423835486 446723001 /nfs/dbraw/zinc/72/30/01/446723001.db2.gz VJCOPWUYFMTXTB-ISTRZQFTSA-N 2 2 339.386 1.205 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCN1C ZINC000423868405 446735431 /nfs/dbraw/zinc/73/54/31/446735431.db2.gz NLRHCAKGDANAEB-XUWVNRHRSA-N 2 2 331.464 1.156 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)cn1 ZINC000423753333 446684375 /nfs/dbraw/zinc/68/43/75/446684375.db2.gz GXUHPUHQQSUBSO-SQNIBIBYSA-N 2 2 345.491 1.375 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)cn1 ZINC000423753333 446684381 /nfs/dbraw/zinc/68/43/81/446684381.db2.gz GXUHPUHQQSUBSO-SQNIBIBYSA-N 2 2 345.491 1.375 20 0 EDADLP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000368265560 446748865 /nfs/dbraw/zinc/74/88/65/446748865.db2.gz WLRDZUXXHKOTIL-KRWDZBQOSA-N 2 2 331.460 1.915 20 0 EDADLP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000368265560 446748870 /nfs/dbraw/zinc/74/88/70/446748870.db2.gz WLRDZUXXHKOTIL-KRWDZBQOSA-N 2 2 331.460 1.915 20 0 EDADLP CCCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000423907854 446758162 /nfs/dbraw/zinc/75/81/62/446758162.db2.gz BUGOGCMNYKHMRM-HRCADAONSA-N 2 2 339.459 1.308 20 0 EDADLP CCCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000423907854 446758168 /nfs/dbraw/zinc/75/81/68/446758168.db2.gz BUGOGCMNYKHMRM-HRCADAONSA-N 2 2 339.459 1.308 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000423910318 446759147 /nfs/dbraw/zinc/75/91/47/446759147.db2.gz FSFXLGOPHUNUPY-KBMXLJTQSA-N 2 2 339.459 1.179 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000423910318 446759157 /nfs/dbraw/zinc/75/91/57/446759157.db2.gz FSFXLGOPHUNUPY-KBMXLJTQSA-N 2 2 339.459 1.179 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000423926228 446776688 /nfs/dbraw/zinc/77/66/88/446776688.db2.gz CVTNBHFGTAWRSG-CMKODMSKSA-N 2 2 345.487 1.906 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000423926228 446776695 /nfs/dbraw/zinc/77/66/95/446776695.db2.gz CVTNBHFGTAWRSG-CMKODMSKSA-N 2 2 345.487 1.906 20 0 EDADLP c1nc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc(N2CCOCC2)[nH+]1 ZINC000375412950 446782548 /nfs/dbraw/zinc/78/25/48/446782548.db2.gz DWDVKIKHBHSWTA-JKSUJKDBSA-N 2 2 347.463 1.369 20 0 EDADLP c1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000376893933 446783747 /nfs/dbraw/zinc/78/37/47/446783747.db2.gz RBGOTECGIUDENK-JYJNAYRXSA-N 2 2 329.448 1.234 20 0 EDADLP c1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000376893933 446783750 /nfs/dbraw/zinc/78/37/50/446783750.db2.gz RBGOTECGIUDENK-JYJNAYRXSA-N 2 2 329.448 1.234 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000423933033 446784217 /nfs/dbraw/zinc/78/42/17/446784217.db2.gz QTDQHYADLKKRHU-BZSNNMDCSA-N 2 2 331.460 1.659 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000423933033 446784221 /nfs/dbraw/zinc/78/42/21/446784221.db2.gz QTDQHYADLKKRHU-BZSNNMDCSA-N 2 2 331.460 1.659 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000454231018 446818055 /nfs/dbraw/zinc/81/80/55/446818055.db2.gz SODNJECGJAIRLW-CABCVRRESA-N 2 2 337.468 1.620 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCOC ZINC000368384568 446827201 /nfs/dbraw/zinc/82/72/01/446827201.db2.gz WMLFDBDVUBVQNJ-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCOC ZINC000368384568 446827208 /nfs/dbraw/zinc/82/72/08/446827208.db2.gz WMLFDBDVUBVQNJ-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368384606 446827741 /nfs/dbraw/zinc/82/77/41/446827741.db2.gz WUXWXVGTFYGQLA-RDJZCZTQSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368384606 446827745 /nfs/dbraw/zinc/82/77/45/446827745.db2.gz WUXWXVGTFYGQLA-RDJZCZTQSA-N 3 2 339.528 1.137 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000368387980 446830528 /nfs/dbraw/zinc/83/05/28/446830528.db2.gz ODMKAVAUOFHDHU-ARFHVFGLSA-N 2 2 331.464 1.501 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000368387980 446830533 /nfs/dbraw/zinc/83/05/33/446830533.db2.gz ODMKAVAUOFHDHU-ARFHVFGLSA-N 2 2 331.464 1.501 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000368416644 446848795 /nfs/dbraw/zinc/84/87/95/446848795.db2.gz LVGYOPMYGQVWOJ-HZSPNIEDSA-N 2 2 338.477 1.561 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000368416644 446848802 /nfs/dbraw/zinc/84/88/02/446848802.db2.gz LVGYOPMYGQVWOJ-HZSPNIEDSA-N 2 2 338.477 1.561 20 0 EDADLP COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420898758 446875707 /nfs/dbraw/zinc/87/57/07/446875707.db2.gz DMGXKXUMGFCZAF-GOSISDBHSA-N 2 2 332.444 1.904 20 0 EDADLP COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420898758 446875711 /nfs/dbraw/zinc/87/57/11/446875711.db2.gz DMGXKXUMGFCZAF-GOSISDBHSA-N 2 2 332.444 1.904 20 0 EDADLP COc1c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cnn1C ZINC000412152035 446880659 /nfs/dbraw/zinc/88/06/59/446880659.db2.gz ZIWZZROGGYUEDP-UHFFFAOYSA-N 2 2 349.479 1.109 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420905017 446881359 /nfs/dbraw/zinc/88/13/59/446881359.db2.gz QKRXQYOPYWCTRA-GOSISDBHSA-N 2 2 331.460 1.571 20 0 EDADLP C[C@@H](CO)[N@@H+]1CCCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420914084 446885393 /nfs/dbraw/zinc/88/53/93/446885393.db2.gz BRCQXPOWLNAELS-SFHVURJKSA-N 2 2 347.503 1.407 20 0 EDADLP C[C@@H](CO)[N@H+]1CCCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420914084 446885404 /nfs/dbraw/zinc/88/54/04/446885404.db2.gz BRCQXPOWLNAELS-SFHVURJKSA-N 2 2 347.503 1.407 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000454480005 446885935 /nfs/dbraw/zinc/88/59/35/446885935.db2.gz GKZJDFWDTHZUQZ-DLBZAZTESA-N 2 2 339.528 1.042 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000454480005 446885940 /nfs/dbraw/zinc/88/59/40/446885940.db2.gz GKZJDFWDTHZUQZ-DLBZAZTESA-N 2 2 339.528 1.042 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000368479644 446888395 /nfs/dbraw/zinc/88/83/95/446888395.db2.gz VNTUUWXEJRCMNQ-UHFFFAOYSA-N 2 2 326.444 1.690 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000368479644 446888402 /nfs/dbraw/zinc/88/84/02/446888402.db2.gz VNTUUWXEJRCMNQ-UHFFFAOYSA-N 2 2 326.444 1.690 20 0 EDADLP COC[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC000420920857 446888936 /nfs/dbraw/zinc/88/89/36/446888936.db2.gz KKBLZAUHBUDNLI-APWZRJJASA-N 2 2 334.460 1.755 20 0 EDADLP COC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H](C)O1 ZINC000420920857 446888941 /nfs/dbraw/zinc/88/89/41/446888941.db2.gz KKBLZAUHBUDNLI-APWZRJJASA-N 2 2 334.460 1.755 20 0 EDADLP Cc1[nH+]c(CNc2cc(N3CCOCC3)nc[nH+]2)c2n1CCCC2 ZINC000377058551 446892371 /nfs/dbraw/zinc/89/23/71/446892371.db2.gz XAXPTFNSTMEAHF-UHFFFAOYSA-N 2 2 328.420 1.767 20 0 EDADLP Cc1[nH+]c(CNc2cc(N3CCOCC3)[nH+]cn2)c2n1CCCC2 ZINC000377058551 446892380 /nfs/dbraw/zinc/89/23/80/446892380.db2.gz XAXPTFNSTMEAHF-UHFFFAOYSA-N 2 2 328.420 1.767 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)C[C@H](CO)C3)c2cc1C ZINC000420953852 446925961 /nfs/dbraw/zinc/92/59/61/446925961.db2.gz YWVXRLDOSMEQQM-XOKHGSTOSA-N 2 2 331.460 1.964 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)C[C@H](CO)C3)c2cc1C ZINC000420953852 446925965 /nfs/dbraw/zinc/92/59/65/446925965.db2.gz YWVXRLDOSMEQQM-XOKHGSTOSA-N 2 2 331.460 1.964 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CCC34CCOCC4)CC2)nc1 ZINC000368523593 446919310 /nfs/dbraw/zinc/91/93/10/446919310.db2.gz VGMGDXITZSFAER-KRWDZBQOSA-N 2 2 345.491 1.538 20 0 EDADLP c1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCOCC1 ZINC000420963798 446935608 /nfs/dbraw/zinc/93/56/08/446935608.db2.gz MXQZSHYHNBRKLT-PMACEKPBSA-N 2 2 346.471 1.899 20 0 EDADLP c1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCOCC1 ZINC000420963798 446935612 /nfs/dbraw/zinc/93/56/12/446935612.db2.gz MXQZSHYHNBRKLT-PMACEKPBSA-N 2 2 346.471 1.899 20 0 EDADLP COCC[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]C1 ZINC000372122796 447015342 /nfs/dbraw/zinc/01/53/42/447015342.db2.gz GYXJKHCRBARXFS-KRWDZBQOSA-N 2 2 332.379 1.966 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)NC(C)(C)CC)CC2)CC1 ZINC000421018323 446989766 /nfs/dbraw/zinc/98/97/66/446989766.db2.gz WYGQBZSUKGTGRT-UHFFFAOYSA-N 2 2 338.540 1.783 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)NC(C)(C)CC)CC2)CC1 ZINC000421018323 446989774 /nfs/dbraw/zinc/98/97/74/446989774.db2.gz WYGQBZSUKGTGRT-UHFFFAOYSA-N 2 2 338.540 1.783 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)NC(C)(C)CC)CC2)CC1 ZINC000421018323 446989782 /nfs/dbraw/zinc/98/97/82/446989782.db2.gz WYGQBZSUKGTGRT-UHFFFAOYSA-N 2 2 338.540 1.783 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)NC(C)(C)CC)CC2)CC1 ZINC000421018323 446989790 /nfs/dbraw/zinc/98/97/90/446989790.db2.gz WYGQBZSUKGTGRT-UHFFFAOYSA-N 2 2 338.540 1.783 20 0 EDADLP O=C(C[N@@H+]1CC[C@]12CCOC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000421027119 446997557 /nfs/dbraw/zinc/99/75/57/446997557.db2.gz UOAZBEJHNWBRIJ-QGZVFWFLSA-N 2 2 335.473 1.257 20 0 EDADLP O=C(C[N@H+]1CC[C@]12CCOC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000421027119 446997563 /nfs/dbraw/zinc/99/75/63/446997563.db2.gz UOAZBEJHNWBRIJ-QGZVFWFLSA-N 2 2 335.473 1.257 20 0 EDADLP C[C@H](O)CNc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)nc[nH+]1 ZINC000413214094 447072167 /nfs/dbraw/zinc/07/21/67/447072167.db2.gz LALIBSARXODKCH-LBPRGKRZSA-N 2 2 333.411 2.082 20 0 EDADLP C[C@H](O)CNc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)[nH+]cn1 ZINC000413214094 447072169 /nfs/dbraw/zinc/07/21/69/447072169.db2.gz LALIBSARXODKCH-LBPRGKRZSA-N 2 2 333.411 2.082 20 0 EDADLP O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000375760076 447027747 /nfs/dbraw/zinc/02/77/47/447027747.db2.gz SGZNSNNOPWCBKF-HOTGVXAUSA-N 2 2 336.436 1.643 20 0 EDADLP O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000375760076 447027752 /nfs/dbraw/zinc/02/77/52/447027752.db2.gz SGZNSNNOPWCBKF-HOTGVXAUSA-N 2 2 336.436 1.643 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)CCC[NH+]3CCCC3)nc[nH+]2)C1 ZINC000413262217 447100817 /nfs/dbraw/zinc/10/08/17/447100817.db2.gz FREREUYFTJVIFI-HOTGVXAUSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)CCC[NH+]3CCCC3)[nH+]cn2)C1 ZINC000413262217 447100821 /nfs/dbraw/zinc/10/08/21/447100821.db2.gz FREREUYFTJVIFI-HOTGVXAUSA-N 2 2 333.480 1.606 20 0 EDADLP c1cc2cc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)ccc2o1 ZINC000377409910 447117239 /nfs/dbraw/zinc/11/72/39/447117239.db2.gz IKMVCBIYXPIBBF-SFHVURJKSA-N 2 2 329.444 1.929 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000455220281 447088933 /nfs/dbraw/zinc/08/89/33/447088933.db2.gz DAENBVBMEFYQHH-KRWDZBQOSA-N 2 2 346.475 1.775 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000455220281 447088944 /nfs/dbraw/zinc/08/89/44/447088944.db2.gz DAENBVBMEFYQHH-KRWDZBQOSA-N 2 2 346.475 1.775 20 0 EDADLP CCCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000372541114 447123833 /nfs/dbraw/zinc/12/38/33/447123833.db2.gz USCVHNBRCNOZLK-MAUKXSAKSA-N 2 2 335.496 1.651 20 0 EDADLP CCCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000372541114 447123839 /nfs/dbraw/zinc/12/38/39/447123839.db2.gz USCVHNBRCNOZLK-MAUKXSAKSA-N 2 2 335.496 1.651 20 0 EDADLP CCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000372541114 447123846 /nfs/dbraw/zinc/12/38/46/447123846.db2.gz USCVHNBRCNOZLK-MAUKXSAKSA-N 2 2 335.496 1.651 20 0 EDADLP CCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000372541114 447123850 /nfs/dbraw/zinc/12/38/50/447123850.db2.gz USCVHNBRCNOZLK-MAUKXSAKSA-N 2 2 335.496 1.651 20 0 EDADLP Cc1c(Cl)c(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)nn1C ZINC000421345879 447137420 /nfs/dbraw/zinc/13/74/20/447137420.db2.gz XXHBSRPHTXOBCZ-ZDUSSCGKSA-N 2 2 343.903 1.564 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455626436 447188618 /nfs/dbraw/zinc/18/86/18/447188618.db2.gz YFLIFGDQCVJSEC-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455626436 447188622 /nfs/dbraw/zinc/18/86/22/447188622.db2.gz YFLIFGDQCVJSEC-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000368876075 447172261 /nfs/dbraw/zinc/17/22/61/447172261.db2.gz JEDCGZSPGWLZJH-INIZCTEOSA-N 2 2 342.447 1.798 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000368876075 447172264 /nfs/dbraw/zinc/17/22/64/447172264.db2.gz JEDCGZSPGWLZJH-INIZCTEOSA-N 2 2 342.447 1.798 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)NCCn3cc[nH+]c3)CC2)on1 ZINC000368985410 447247152 /nfs/dbraw/zinc/24/71/52/447247152.db2.gz AVVSNVRSZPXTIK-UHFFFAOYSA-N 2 2 346.435 1.486 20 0 EDADLP COc1ccc(C(=O)NCC[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000414288574 447286477 /nfs/dbraw/zinc/28/64/77/447286477.db2.gz GXVYVMXIRGDERR-UHFFFAOYSA-N 2 2 331.420 1.014 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc(C(N)=O)cs3)C2)CC1 ZINC000377676193 447288673 /nfs/dbraw/zinc/28/86/73/447288673.db2.gz PTELFRINMRFFTP-OAHLLOKOSA-N 2 2 336.505 1.449 20 0 EDADLP OC1CC[NH+](CCC[NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414314147 447290936 /nfs/dbraw/zinc/29/09/36/447290936.db2.gz KWTUYLFNRBKMPG-UHFFFAOYSA-N 2 2 328.359 1.945 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000377647585 447270112 /nfs/dbraw/zinc/27/01/12/447270112.db2.gz JBFJSDDYYOJMML-UHFFFAOYSA-N 3 2 332.448 1.007 20 0 EDADLP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415522085 447495069 /nfs/dbraw/zinc/49/50/69/447495069.db2.gz VOIHYHLEOPFTRN-UHFFFAOYSA-N 2 2 343.431 1.505 20 0 EDADLP CC(=O)[C@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450470357 447499273 /nfs/dbraw/zinc/49/92/73/447499273.db2.gz ACBOAAPJOHMEBM-LJQANCHMSA-N 3 2 339.524 1.455 20 0 EDADLP CC(=O)[C@](C)(O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450470357 447499282 /nfs/dbraw/zinc/49/92/82/447499282.db2.gz ACBOAAPJOHMEBM-LJQANCHMSA-N 3 2 339.524 1.455 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cn3ccccc3[nH+]1)C2=O ZINC000391731362 447517338 /nfs/dbraw/zinc/51/73/38/447517338.db2.gz VLAWBSQMSKJFTG-SJKOYZFVSA-N 2 2 327.388 1.274 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000459123487 447583906 /nfs/dbraw/zinc/58/39/06/447583906.db2.gz UJSUOYSKRVHAAJ-CABCVRRESA-N 2 2 337.468 1.889 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427041942 447535039 /nfs/dbraw/zinc/53/50/39/447535039.db2.gz AQWZXMXYOBSKMU-HNNXBMFYSA-N 2 2 341.415 1.014 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000459057778 447556331 /nfs/dbraw/zinc/55/63/31/447556331.db2.gz LRBBHKCADMFOTC-CQSZACIVSA-N 2 2 337.468 1.716 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000459057778 447556335 /nfs/dbraw/zinc/55/63/35/447556335.db2.gz LRBBHKCADMFOTC-CQSZACIVSA-N 2 2 337.468 1.716 20 0 EDADLP C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C1CC[NH+](CCO)CC1 ZINC000459339666 447638907 /nfs/dbraw/zinc/63/89/07/447638907.db2.gz UFHTZZLJYIWQKP-UHFFFAOYSA-N 2 2 342.443 1.738 20 0 EDADLP C[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C1CC[NH+](CCO)CC1 ZINC000459339666 447638915 /nfs/dbraw/zinc/63/89/15/447638915.db2.gz UFHTZZLJYIWQKP-UHFFFAOYSA-N 2 2 342.443 1.738 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000459368584 447647789 /nfs/dbraw/zinc/64/77/89/447647789.db2.gz PNGPYZPOEXEISB-UHFFFAOYSA-N 2 2 332.835 1.960 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000459368584 447647797 /nfs/dbraw/zinc/64/77/97/447647797.db2.gz PNGPYZPOEXEISB-UHFFFAOYSA-N 2 2 332.835 1.960 20 0 EDADLP CC[C@H](C)[NH+]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000450860866 447597210 /nfs/dbraw/zinc/59/72/10/447597210.db2.gz OXWBORTVRXSLSX-HOTGVXAUSA-N 2 2 333.480 1.606 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)NCCc2cn(C)c[nH+]2)C[C@H]1CC ZINC000459193146 447610559 /nfs/dbraw/zinc/61/05/59/447610559.db2.gz ZEYMMPRHFRJLHD-MRXNPFEDSA-N 2 2 337.468 1.105 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)NCCc2cn(C)c[nH+]2)C[C@H]1CC ZINC000459193146 447610564 /nfs/dbraw/zinc/61/05/64/447610564.db2.gz ZEYMMPRHFRJLHD-MRXNPFEDSA-N 2 2 337.468 1.105 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2COCC2(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459213467 447614852 /nfs/dbraw/zinc/61/48/52/447614852.db2.gz YFEBKEJETDMGFH-GDBMZVCRSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2COCC2(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459213467 447614855 /nfs/dbraw/zinc/61/48/55/447614855.db2.gz YFEBKEJETDMGFH-GDBMZVCRSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)(CNC(=O)N(CCC[NH3+])CC1CCCC1)[NH+]1CCOCC1 ZINC000416834867 447693579 /nfs/dbraw/zinc/69/35/79/447693579.db2.gz XQVZRTVVYPFYHH-UHFFFAOYSA-N 2 2 340.512 1.648 20 0 EDADLP COc1ccc(CNC(=O)CC[NH2+]C(C)(C)C[NH+](C)C)c(OC)c1 ZINC000459556423 447705673 /nfs/dbraw/zinc/70/56/73/447705673.db2.gz IEUJIFUWZKTSHR-UHFFFAOYSA-N 2 2 337.464 1.640 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000416911817 447706730 /nfs/dbraw/zinc/70/67/30/447706730.db2.gz DDRIICXMSYHCDN-DFBGVHRSSA-N 2 2 331.395 1.637 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422585421 447654964 /nfs/dbraw/zinc/65/49/64/447654964.db2.gz CNPPGKQQBKSLIE-SJORKVTESA-N 2 2 344.459 1.400 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000495947109 447666226 /nfs/dbraw/zinc/66/62/26/447666226.db2.gz OZZOLPWWFCILPE-IIAWOOMASA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000495947109 447666231 /nfs/dbraw/zinc/66/62/31/447666231.db2.gz OZZOLPWWFCILPE-IIAWOOMASA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000495947109 447666235 /nfs/dbraw/zinc/66/62/35/447666235.db2.gz OZZOLPWWFCILPE-IIAWOOMASA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000495947109 447666238 /nfs/dbraw/zinc/66/62/38/447666238.db2.gz OZZOLPWWFCILPE-IIAWOOMASA-N 2 2 341.496 1.819 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000495948769 447666594 /nfs/dbraw/zinc/66/65/94/447666594.db2.gz VSJIBJYBKUZQFE-HUUCEWRRSA-N 2 2 327.469 1.383 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000495948769 447666602 /nfs/dbraw/zinc/66/66/02/447666602.db2.gz VSJIBJYBKUZQFE-HUUCEWRRSA-N 2 2 327.469 1.383 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000495948769 447666608 /nfs/dbraw/zinc/66/66/08/447666608.db2.gz VSJIBJYBKUZQFE-HUUCEWRRSA-N 2 2 327.469 1.383 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000495948769 447666612 /nfs/dbraw/zinc/66/66/12/447666612.db2.gz VSJIBJYBKUZQFE-HUUCEWRRSA-N 2 2 327.469 1.383 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459574986 447710955 /nfs/dbraw/zinc/71/09/55/447710955.db2.gz KAIKBUOEONEGTE-UHFFFAOYSA-N 2 2 337.489 1.653 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422703652 447720799 /nfs/dbraw/zinc/72/07/99/447720799.db2.gz NQHJVOCXPFEBFC-WWGRRREGSA-N 2 2 325.478 1.728 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416952857 447724537 /nfs/dbraw/zinc/72/45/37/447724537.db2.gz JUWVMYOPJOCLAX-OAHLLOKOSA-N 2 2 329.448 1.901 20 0 EDADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422713801 447725302 /nfs/dbraw/zinc/72/53/02/447725302.db2.gz HYXRWUYUKDBXRP-ROUUACIJSA-N 2 2 337.508 1.770 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496145694 447728911 /nfs/dbraw/zinc/72/89/11/447728911.db2.gz GTCNJLSLZQUTCL-OAGGEKHMSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496145694 447728914 /nfs/dbraw/zinc/72/89/14/447728914.db2.gz GTCNJLSLZQUTCL-OAGGEKHMSA-N 2 2 340.512 1.610 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000417001323 447730103 /nfs/dbraw/zinc/73/01/03/447730103.db2.gz SYZDTATVJVEVOA-VYDXJSESSA-N 2 2 334.464 1.403 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000422727313 447731383 /nfs/dbraw/zinc/73/13/83/447731383.db2.gz CCPDDYCJMHRCQF-SQWLQELKSA-N 2 2 337.489 1.768 20 0 EDADLP COc1cc2c(cc1OC)CN(CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000422761254 447742162 /nfs/dbraw/zinc/74/21/62/447742162.db2.gz LSKMBAFMOHSSOT-RHSMWYFYSA-N 2 2 333.476 1.792 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCN[C@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000422761254 447742165 /nfs/dbraw/zinc/74/21/65/447742165.db2.gz LSKMBAFMOHSSOT-RHSMWYFYSA-N 2 2 333.476 1.792 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCN[C@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000422761254 447742170 /nfs/dbraw/zinc/74/21/70/447742170.db2.gz LSKMBAFMOHSSOT-RHSMWYFYSA-N 2 2 333.476 1.792 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000422761962 447742845 /nfs/dbraw/zinc/74/28/45/447742845.db2.gz NFLRQHDGJKVWDU-SJLPKXTDSA-N 3 2 333.476 1.615 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422947317 447778005 /nfs/dbraw/zinc/77/80/05/447778005.db2.gz YFCGDNNTACGAQN-YRGRVCCFSA-N 2 2 343.265 1.776 20 0 EDADLP COc1cc(C)c([C@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)cc1OC ZINC000430561668 447779757 /nfs/dbraw/zinc/77/97/57/447779757.db2.gz NNXKNBXCTNUIEO-ORAYPTAESA-N 2 2 349.475 1.906 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NC[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000430593155 447782392 /nfs/dbraw/zinc/78/23/92/447782392.db2.gz DOTRSCYMYABUBM-DNVCBOLYSA-N 2 2 330.476 1.346 20 0 EDADLP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000496440686 447784518 /nfs/dbraw/zinc/78/45/18/447784518.db2.gz CSTWNDYKPBBGFX-FXUDXRNXSA-N 2 2 327.469 1.600 20 0 EDADLP COc1ccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422977415 447785985 /nfs/dbraw/zinc/78/59/85/447785985.db2.gz KBKSGGZBNNYCCK-MSOLQXFVSA-N 3 2 333.476 1.535 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000430930419 447787785 /nfs/dbraw/zinc/78/77/85/447787785.db2.gz ANTDQZVRVKBHEL-WCQYABFASA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000430930419 447787788 /nfs/dbraw/zinc/78/77/88/447787788.db2.gz ANTDQZVRVKBHEL-WCQYABFASA-N 2 2 337.420 1.320 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430969557 447787947 /nfs/dbraw/zinc/78/79/47/447787947.db2.gz FQSOMJPLLWZYHL-IJEWVQPXSA-N 2 2 349.475 1.940 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430969557 447787949 /nfs/dbraw/zinc/78/79/49/447787949.db2.gz FQSOMJPLLWZYHL-IJEWVQPXSA-N 2 2 349.475 1.940 20 0 EDADLP CC(C)c1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000471958552 447818071 /nfs/dbraw/zinc/81/80/71/447818071.db2.gz NORCUYGCMIXFSB-UHFFFAOYSA-N 2 2 335.496 1.642 20 0 EDADLP CC(C)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1C ZINC000471958552 447818072 /nfs/dbraw/zinc/81/80/72/447818072.db2.gz NORCUYGCMIXFSB-UHFFFAOYSA-N 2 2 335.496 1.642 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CCO1 ZINC000496505447 447795113 /nfs/dbraw/zinc/79/51/13/447795113.db2.gz PJMOHRQZWVKROL-GOSISDBHSA-N 2 2 347.459 1.695 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CCO1 ZINC000496505447 447795117 /nfs/dbraw/zinc/79/51/17/447795117.db2.gz PJMOHRQZWVKROL-GOSISDBHSA-N 2 2 347.459 1.695 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000496711296 447853337 /nfs/dbraw/zinc/85/33/37/447853337.db2.gz AUUVXWSIXQSGDF-UHFFFAOYSA-N 2 2 336.436 1.737 20 0 EDADLP CN(CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000496582627 447826455 /nfs/dbraw/zinc/82/64/55/447826455.db2.gz KUPSTWJCKYSRLU-UHFFFAOYSA-N 2 2 337.468 1.784 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccco1 ZINC000522953871 447865637 /nfs/dbraw/zinc/86/56/37/447865637.db2.gz GRDLJQLIBQQIPY-ZDUSSCGKSA-N 2 2 326.360 1.288 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCCC[NH2+]1 ZINC000570077632 447943906 /nfs/dbraw/zinc/94/39/06/447943906.db2.gz FYSRXNLJZLQKRA-YOEHRIQHSA-N 2 2 337.489 1.847 20 0 EDADLP CC1(C)C[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000575933271 447933251 /nfs/dbraw/zinc/93/32/51/447933251.db2.gz IHFVWOZKAXKHFC-MSOLQXFVSA-N 2 2 345.487 1.327 20 0 EDADLP CC1(C)C[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000575933271 447933255 /nfs/dbraw/zinc/93/32/55/447933255.db2.gz IHFVWOZKAXKHFC-MSOLQXFVSA-N 2 2 345.487 1.327 20 0 EDADLP CCc1cc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)on1 ZINC000524639209 447938220 /nfs/dbraw/zinc/93/82/20/447938220.db2.gz GHMDJUCKCNIIOV-UHFFFAOYSA-N 2 2 349.479 1.595 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000553208611 447977952 /nfs/dbraw/zinc/97/79/52/447977952.db2.gz QWQWOSASSVVYTB-INIZCTEOSA-N 2 2 339.443 1.873 20 0 EDADLP COCC[N@H+](C)CCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000553428958 447993087 /nfs/dbraw/zinc/99/30/87/447993087.db2.gz JAZLFFVRKGYAKK-LLVKDONJSA-N 2 2 336.358 1.151 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000553428958 447993093 /nfs/dbraw/zinc/99/30/93/447993093.db2.gz JAZLFFVRKGYAKK-LLVKDONJSA-N 2 2 336.358 1.151 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2c[nH]c3cc(F)ccc23)[C@H](C[NH3+])C1 ZINC000576091882 447968211 /nfs/dbraw/zinc/96/82/11/447968211.db2.gz CLDQJPFBIOMQIG-CQSZACIVSA-N 2 2 333.411 1.134 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2c[nH]c3cc(F)ccc23)[C@H](C[NH3+])C1 ZINC000576091882 447968214 /nfs/dbraw/zinc/96/82/14/447968214.db2.gz CLDQJPFBIOMQIG-CQSZACIVSA-N 2 2 333.411 1.134 20 0 EDADLP CCc1cccc(OCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000531131780 448025160 /nfs/dbraw/zinc/02/51/60/448025160.db2.gz QROZPTBXMXBVPY-UHFFFAOYSA-N 2 2 333.476 1.770 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000554542382 448031968 /nfs/dbraw/zinc/03/19/68/448031968.db2.gz JMWCYZTXOCQFQL-INIZCTEOSA-N 2 2 338.415 1.804 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC(=O)NCc1cccs1 ZINC000576376404 448041131 /nfs/dbraw/zinc/04/11/31/448041131.db2.gz INISKDQJKCAJLD-INIZCTEOSA-N 2 2 336.461 1.149 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC(=O)NCc1cccs1 ZINC000576376404 448041134 /nfs/dbraw/zinc/04/11/34/448041134.db2.gz INISKDQJKCAJLD-INIZCTEOSA-N 2 2 336.461 1.149 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000576419245 448050203 /nfs/dbraw/zinc/05/02/03/448050203.db2.gz JEAJXHKGGCNFNZ-IJEWVQPXSA-N 2 2 334.464 1.369 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000576419245 448050213 /nfs/dbraw/zinc/05/02/13/448050213.db2.gz JEAJXHKGGCNFNZ-IJEWVQPXSA-N 2 2 334.464 1.369 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)CC1(C[NH3+])CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000570451410 448017127 /nfs/dbraw/zinc/01/71/27/448017127.db2.gz MEASBAZLJSLORE-HNNXBMFYSA-N 3 2 345.491 1.503 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)c1 ZINC000576520424 448073712 /nfs/dbraw/zinc/07/37/12/448073712.db2.gz MEJMYAVVTRUCQP-HNNXBMFYSA-N 2 2 325.416 1.498 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000576528051 448077562 /nfs/dbraw/zinc/07/75/62/448077562.db2.gz GFUKBXKJDVDRKL-UXLLHSPISA-N 2 2 336.480 1.842 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000576528051 448077568 /nfs/dbraw/zinc/07/75/68/448077568.db2.gz GFUKBXKJDVDRKL-UXLLHSPISA-N 2 2 336.480 1.842 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000576528051 448077573 /nfs/dbraw/zinc/07/75/73/448077573.db2.gz GFUKBXKJDVDRKL-UXLLHSPISA-N 2 2 336.480 1.842 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000576528051 448077578 /nfs/dbraw/zinc/07/75/78/448077578.db2.gz GFUKBXKJDVDRKL-UXLLHSPISA-N 2 2 336.480 1.842 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000576473187 448064960 /nfs/dbraw/zinc/06/49/60/448064960.db2.gz NLEMABUNDFTULD-IRXDYDNUSA-N 2 2 347.503 1.995 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cn2)CC1 ZINC000571156472 448112042 /nfs/dbraw/zinc/11/20/42/448112042.db2.gz DBKSBZXHLQKKIA-ZWKOTPCHSA-N 3 2 331.508 1.973 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2(c3ccccc3)CCOCC2)[C@H](C[NH3+])C1 ZINC000571183402 448120692 /nfs/dbraw/zinc/12/06/92/448120692.db2.gz XKQIFJXAVANTHP-QGZVFWFLSA-N 2 2 346.475 1.019 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3ccccc3)CCOCC2)[C@H](C[NH3+])C1 ZINC000571183402 448120695 /nfs/dbraw/zinc/12/06/95/448120695.db2.gz XKQIFJXAVANTHP-QGZVFWFLSA-N 2 2 346.475 1.019 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000571313036 448135947 /nfs/dbraw/zinc/13/59/47/448135947.db2.gz KOMPGGPSGHCBHU-UHFFFAOYSA-N 2 2 331.464 1.094 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000571313036 448135951 /nfs/dbraw/zinc/13/59/51/448135951.db2.gz KOMPGGPSGHCBHU-UHFFFAOYSA-N 2 2 331.464 1.094 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000576777865 448136589 /nfs/dbraw/zinc/13/65/89/448136589.db2.gz GYBVVZSDOCVAGD-GOSISDBHSA-N 2 2 349.475 1.276 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000576777865 448136594 /nfs/dbraw/zinc/13/65/94/448136594.db2.gz GYBVVZSDOCVAGD-GOSISDBHSA-N 2 2 349.475 1.276 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000556728074 448148115 /nfs/dbraw/zinc/14/81/15/448148115.db2.gz HGELAQKJYZUMSZ-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000556728074 448148116 /nfs/dbraw/zinc/14/81/16/448148116.db2.gz HGELAQKJYZUMSZ-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CCOC(=O)CCc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000556959191 448174577 /nfs/dbraw/zinc/17/45/77/448174577.db2.gz JSHYSSCGHJERPF-MRXNPFEDSA-N 2 2 348.447 1.289 20 0 EDADLP CCOC(=O)CCc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000556959191 448174583 /nfs/dbraw/zinc/17/45/83/448174583.db2.gz JSHYSSCGHJERPF-MRXNPFEDSA-N 2 2 348.447 1.289 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cn1 ZINC000514665809 448181640 /nfs/dbraw/zinc/18/16/40/448181640.db2.gz VCMXTEOQPAPGDB-AAEUAGOBSA-N 2 2 328.254 1.951 20 0 EDADLP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000532021827 448183684 /nfs/dbraw/zinc/18/36/84/448183684.db2.gz DYIRYDVXLDBQCR-YOEHRIQHSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000532021827 448183689 /nfs/dbraw/zinc/18/36/89/448183689.db2.gz DYIRYDVXLDBQCR-YOEHRIQHSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N(C)C)nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000532021827 448183692 /nfs/dbraw/zinc/18/36/92/448183692.db2.gz DYIRYDVXLDBQCR-YOEHRIQHSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N(C)C)nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000532021827 448183697 /nfs/dbraw/zinc/18/36/97/448183697.db2.gz DYIRYDVXLDBQCR-YOEHRIQHSA-N 2 2 340.475 2.569 20 0 EDADLP CC(C)NC(=O)NCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000514670256 448184173 /nfs/dbraw/zinc/18/41/73/448184173.db2.gz NWWHTGOXUGCXFP-UHFFFAOYSA-N 2 2 347.507 1.728 20 0 EDADLP CC(C)NC(=O)NCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000514670256 448184177 /nfs/dbraw/zinc/18/41/77/448184177.db2.gz NWWHTGOXUGCXFP-UHFFFAOYSA-N 2 2 347.507 1.728 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000492263911 448200598 /nfs/dbraw/zinc/20/05/98/448200598.db2.gz UNEYTDCADWGUMB-ZPUOCTKUSA-N 2 2 345.491 1.545 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000492263911 448200607 /nfs/dbraw/zinc/20/06/07/448200607.db2.gz UNEYTDCADWGUMB-ZPUOCTKUSA-N 2 2 345.491 1.545 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc2n1C ZINC000527283438 448201524 /nfs/dbraw/zinc/20/15/24/448201524.db2.gz BIQRNQYZFVOGBL-MRXNPFEDSA-N 2 2 344.459 1.968 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2n1C ZINC000527283438 448201525 /nfs/dbraw/zinc/20/15/25/448201525.db2.gz BIQRNQYZFVOGBL-MRXNPFEDSA-N 2 2 344.459 1.968 20 0 EDADLP C[N@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC([NH3+])C1 ZINC000577180864 448227893 /nfs/dbraw/zinc/22/78/93/448227893.db2.gz JTCZLBBUAXZHMK-UHFFFAOYSA-N 2 2 336.867 1.410 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CC([NH3+])C1 ZINC000577180864 448227899 /nfs/dbraw/zinc/22/78/99/448227899.db2.gz JTCZLBBUAXZHMK-UHFFFAOYSA-N 2 2 336.867 1.410 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000571893666 448230402 /nfs/dbraw/zinc/23/04/02/448230402.db2.gz WEZXTPWLOALMSU-CVEARBPZSA-N 2 2 346.475 1.411 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000514870926 448218803 /nfs/dbraw/zinc/21/88/03/448218803.db2.gz OALDEUJRHJUXKK-MRXNPFEDSA-N 2 2 330.432 1.588 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000515149363 448266296 /nfs/dbraw/zinc/26/62/96/448266296.db2.gz INADBJJXEKAXBB-INIZCTEOSA-N 2 2 348.495 1.215 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000515149363 448266299 /nfs/dbraw/zinc/26/62/99/448266299.db2.gz INADBJJXEKAXBB-INIZCTEOSA-N 2 2 348.495 1.215 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000515446158 448314118 /nfs/dbraw/zinc/31/41/18/448314118.db2.gz SQOMGXXSPYCKMG-MRXNPFEDSA-N 2 2 341.459 1.871 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000515446158 448314120 /nfs/dbraw/zinc/31/41/20/448314120.db2.gz SQOMGXXSPYCKMG-MRXNPFEDSA-N 2 2 341.459 1.871 20 0 EDADLP CSCc1cc(F)ccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582715628 448318558 /nfs/dbraw/zinc/31/85/58/448318558.db2.gz YSWNKECKZMFWLX-OAHLLOKOSA-N 2 2 340.468 1.473 20 0 EDADLP CSCc1cc(F)ccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582715628 448318562 /nfs/dbraw/zinc/31/85/62/448318562.db2.gz YSWNKECKZMFWLX-OAHLLOKOSA-N 2 2 340.468 1.473 20 0 EDADLP Fc1ccc2c(c1Br)C[N@@H+](CCN1CC[NH2+]CC1)CC2 ZINC000527617116 448324548 /nfs/dbraw/zinc/32/45/48/448324548.db2.gz VALNBPPBKWIMQH-UHFFFAOYSA-N 2 2 342.256 1.852 20 0 EDADLP Fc1ccc2c(c1Br)C[N@H+](CCN1CC[NH2+]CC1)CC2 ZINC000527617116 448324552 /nfs/dbraw/zinc/32/45/52/448324552.db2.gz VALNBPPBKWIMQH-UHFFFAOYSA-N 2 2 342.256 1.852 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000572104881 448286805 /nfs/dbraw/zinc/28/68/05/448286805.db2.gz VSQUQBYWXOGTEK-WMZOPIPTSA-N 2 2 339.443 1.944 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577395180 448286794 /nfs/dbraw/zinc/28/67/94/448286794.db2.gz GUJHSMGCSKHCAR-KUHUBIRLSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577395180 448286799 /nfs/dbraw/zinc/28/67/99/448286799.db2.gz GUJHSMGCSKHCAR-KUHUBIRLSA-N 2 2 345.443 1.860 20 0 EDADLP COC(C)(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000533020111 448346596 /nfs/dbraw/zinc/34/65/96/448346596.db2.gz LSPCNIHVYDCQMT-UHFFFAOYSA-N 2 2 339.505 1.749 20 0 EDADLP COC(C)(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000533020111 448346599 /nfs/dbraw/zinc/34/65/99/448346599.db2.gz LSPCNIHVYDCQMT-UHFFFAOYSA-N 2 2 339.505 1.749 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3c[nH+]cc3C)CC2)cc1 ZINC000527794505 448361434 /nfs/dbraw/zinc/36/14/34/448361434.db2.gz BQOFQCJXLXZHHK-UHFFFAOYSA-N 2 2 342.443 1.935 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)Cn3c[nH+]cc3C)CC2)cc1 ZINC000527794505 448361439 /nfs/dbraw/zinc/36/14/39/448361439.db2.gz BQOFQCJXLXZHHK-UHFFFAOYSA-N 2 2 342.443 1.935 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)C1CC1 ZINC000572393337 448366826 /nfs/dbraw/zinc/36/68/26/448366826.db2.gz FWDHGKXVCVPJNZ-WFASDCNBSA-N 2 2 339.386 1.115 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)C1CC1 ZINC000572393337 448366832 /nfs/dbraw/zinc/36/68/32/448366832.db2.gz FWDHGKXVCVPJNZ-WFASDCNBSA-N 2 2 339.386 1.115 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccccc2F)CC1 ZINC000572254433 448328948 /nfs/dbraw/zinc/32/89/48/448328948.db2.gz OIZKRKJUAVUDSE-MRXNPFEDSA-N 2 2 339.455 1.277 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccccc2F)CC1 ZINC000572254433 448328950 /nfs/dbraw/zinc/32/89/50/448328950.db2.gz OIZKRKJUAVUDSE-MRXNPFEDSA-N 2 2 339.455 1.277 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000572254433 448328953 /nfs/dbraw/zinc/32/89/53/448328953.db2.gz OIZKRKJUAVUDSE-MRXNPFEDSA-N 2 2 339.455 1.277 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000572254433 448328955 /nfs/dbraw/zinc/32/89/55/448328955.db2.gz OIZKRKJUAVUDSE-MRXNPFEDSA-N 2 2 339.455 1.277 20 0 EDADLP COc1ccc([C@H](CNc2nc[nH+]c(N)c2OC)[NH+](C)C)cc1OC ZINC000565905859 448383878 /nfs/dbraw/zinc/38/38/78/448383878.db2.gz UVYVONTXMHIUOG-LBPRGKRZSA-N 2 2 347.419 1.799 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000591578653 448394743 /nfs/dbraw/zinc/39/47/43/448394743.db2.gz RVLISEHGSIWNOO-CVEARBPZSA-N 2 2 346.475 1.411 20 0 EDADLP Cc1cnc(CC[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)c1 ZINC000566156028 448398137 /nfs/dbraw/zinc/39/81/37/448398137.db2.gz PAPPHFKWTJMDLG-GOSISDBHSA-N 2 2 330.476 1.479 20 0 EDADLP Cc1cnc(CC[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)c1 ZINC000566156028 448398141 /nfs/dbraw/zinc/39/81/41/448398141.db2.gz PAPPHFKWTJMDLG-GOSISDBHSA-N 2 2 330.476 1.479 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@]3(C)CCC(=O)N3)c2cc1C ZINC000583019556 448403901 /nfs/dbraw/zinc/40/39/01/448403901.db2.gz CHLMJGHLGFNIQE-RDTXWAMCSA-N 2 2 330.432 1.272 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000583023582 448406025 /nfs/dbraw/zinc/40/60/25/448406025.db2.gz YLTJLWWQAWJUBA-UIJGJVKASA-N 3 2 337.512 1.065 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000583023582 448406028 /nfs/dbraw/zinc/40/60/28/448406028.db2.gz YLTJLWWQAWJUBA-UIJGJVKASA-N 3 2 337.512 1.065 20 0 EDADLP C[C@H](CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)C1CC[NH2+]CC1 ZINC000566179845 448406512 /nfs/dbraw/zinc/40/65/12/448406512.db2.gz UGDKTNMSWIKAEF-OAHLLOKOSA-N 2 2 333.480 1.090 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000566193019 448409893 /nfs/dbraw/zinc/40/98/93/448409893.db2.gz TYLFZGATFMXCSZ-CVEARBPZSA-N 3 2 339.528 1.362 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[NH2+]C[C@@](C)(F)C3)cc2)CC1 ZINC000516473784 448426241 /nfs/dbraw/zinc/42/62/41/448426241.db2.gz WPAHNMIXGISLSA-LJQANCHMSA-N 2 2 348.466 1.208 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[NH2+]C[C@@](C)(F)C3)cc2)CC1 ZINC000516473784 448426249 /nfs/dbraw/zinc/42/62/49/448426249.db2.gz WPAHNMIXGISLSA-LJQANCHMSA-N 2 2 348.466 1.208 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000578025777 448444723 /nfs/dbraw/zinc/44/47/23/448444723.db2.gz DAVCVZMRCUUFRJ-UHFFFAOYSA-N 2 2 331.420 2.010 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000578025777 448444729 /nfs/dbraw/zinc/44/47/29/448444729.db2.gz DAVCVZMRCUUFRJ-UHFFFAOYSA-N 2 2 331.420 2.010 20 0 EDADLP C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000584351535 448495087 /nfs/dbraw/zinc/49/50/87/448495087.db2.gz OBVSHSAXDQLHLZ-HUUCEWRRSA-N 2 2 342.447 1.411 20 0 EDADLP C[C@H](c1nnnn1-c1ccccc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000584351535 448495091 /nfs/dbraw/zinc/49/50/91/448495091.db2.gz OBVSHSAXDQLHLZ-HUUCEWRRSA-N 2 2 342.447 1.411 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000578244929 448498105 /nfs/dbraw/zinc/49/81/05/448498105.db2.gz VBAMJSZOXSTGNI-VYXJFRSESA-N 2 2 348.491 1.593 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000578244929 448498108 /nfs/dbraw/zinc/49/81/08/448498108.db2.gz VBAMJSZOXSTGNI-VYXJFRSESA-N 2 2 348.491 1.593 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccnn1C1CCCC1 ZINC000578246919 448499537 /nfs/dbraw/zinc/49/95/37/448499537.db2.gz GFXQBFUWXRPVLT-CRAIPNDOSA-N 2 2 342.447 1.841 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000584447698 448527954 /nfs/dbraw/zinc/52/79/54/448527954.db2.gz XQHQDYZJXDWBBN-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000584447698 448527960 /nfs/dbraw/zinc/52/79/60/448527960.db2.gz XQHQDYZJXDWBBN-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000573157135 448555624 /nfs/dbraw/zinc/55/56/24/448555624.db2.gz CIOPWYBWIXBMST-ZDUSSCGKSA-N 2 2 329.404 1.568 20 0 EDADLP C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000566783614 448557255 /nfs/dbraw/zinc/55/72/55/448557255.db2.gz CKOMBKUCVUSKKI-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC000566783614 448557262 /nfs/dbraw/zinc/55/72/62/448557262.db2.gz CKOMBKUCVUSKKI-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000566747473 448551796 /nfs/dbraw/zinc/55/17/96/448551796.db2.gz DFVYAPXMGWIUPI-HOCLYGCPSA-N 2 2 332.448 1.445 20 0 EDADLP Cc1c[nH+]cn1CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000528623806 448606891 /nfs/dbraw/zinc/60/68/91/448606891.db2.gz JHRZTLLTDAJSDX-UHFFFAOYSA-N 2 2 328.416 1.971 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000584730232 448613092 /nfs/dbraw/zinc/61/30/92/448613092.db2.gz PIGOMISGJLZELN-CQSZACIVSA-N 2 2 345.447 1.630 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000584730232 448613094 /nfs/dbraw/zinc/61/30/94/448613094.db2.gz PIGOMISGJLZELN-CQSZACIVSA-N 2 2 345.447 1.630 20 0 EDADLP C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000573425803 448621190 /nfs/dbraw/zinc/62/11/90/448621190.db2.gz FYIDPDWHBMRPDU-OWCLPIDISA-N 2 2 325.497 1.817 20 0 EDADLP C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000573425803 448621195 /nfs/dbraw/zinc/62/11/95/448621195.db2.gz FYIDPDWHBMRPDU-OWCLPIDISA-N 2 2 325.497 1.817 20 0 EDADLP CC1(C)CN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000567146957 448623586 /nfs/dbraw/zinc/62/35/86/448623586.db2.gz CVFAKSAQUAOACI-QGZVFWFLSA-N 2 2 346.475 1.281 20 0 EDADLP CC1(C)CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000567146957 448623593 /nfs/dbraw/zinc/62/35/93/448623593.db2.gz CVFAKSAQUAOACI-QGZVFWFLSA-N 2 2 346.475 1.281 20 0 EDADLP CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000584827262 448645759 /nfs/dbraw/zinc/64/57/59/448645759.db2.gz BEFXOIIEAOZECK-XJKSGUPXSA-N 2 2 347.463 1.322 20 0 EDADLP CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000584827262 448645765 /nfs/dbraw/zinc/64/57/65/448645765.db2.gz BEFXOIIEAOZECK-XJKSGUPXSA-N 2 2 347.463 1.322 20 0 EDADLP CCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000578850128 448649514 /nfs/dbraw/zinc/64/95/14/448649514.db2.gz QQEOJZUFPWHZHM-ZDUSSCGKSA-N 2 2 340.855 1.523 20 0 EDADLP CCOc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000578850128 448649519 /nfs/dbraw/zinc/64/95/19/448649519.db2.gz QQEOJZUFPWHZHM-ZDUSSCGKSA-N 2 2 340.855 1.523 20 0 EDADLP COC[C@]1(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CCC[NH2+]1 ZINC000578864483 448655682 /nfs/dbraw/zinc/65/56/82/448655682.db2.gz ICADYGHNYKJAND-YQQAZPJKSA-N 2 2 335.452 1.244 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[N@H+](C)CC3)CC2)CC1 ZINC000578882175 448662507 /nfs/dbraw/zinc/66/25/07/448662507.db2.gz YGALJECKLBSXHA-UHFFFAOYSA-N 3 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[N@@H+](C)CC3)CC2)CC1 ZINC000578882175 448662511 /nfs/dbraw/zinc/66/25/11/448662511.db2.gz YGALJECKLBSXHA-UHFFFAOYSA-N 3 2 336.524 1.347 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000567322493 448664249 /nfs/dbraw/zinc/66/42/49/448664249.db2.gz ONUNRFTYUTYGKW-UHFFFAOYSA-N 2 2 338.415 1.434 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000578907080 448669482 /nfs/dbraw/zinc/66/94/82/448669482.db2.gz TWKNQZFLZYSRPT-OAHLLOKOSA-N 2 2 329.448 1.964 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000578907080 448669485 /nfs/dbraw/zinc/66/94/85/448669485.db2.gz TWKNQZFLZYSRPT-OAHLLOKOSA-N 2 2 329.448 1.964 20 0 EDADLP CC(C)[NH2+]CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000518398320 448675750 /nfs/dbraw/zinc/67/57/50/448675750.db2.gz PTTMQISBDUHVFW-UHFFFAOYSA-N 2 2 338.883 1.576 20 0 EDADLP C[C@@H](c1ccc(NC[C@H](O)C[NH+]2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000578759851 448628851 /nfs/dbraw/zinc/62/88/51/448628851.db2.gz MVDYTHJMDDETIV-LPHOPBHVSA-N 2 2 349.475 1.185 20 0 EDADLP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccnc1 ZINC000573677003 448686922 /nfs/dbraw/zinc/68/69/22/448686922.db2.gz YTTQGXSKAWTUIJ-PSBWJHGTSA-N 2 2 335.492 1.881 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000579016795 448696626 /nfs/dbraw/zinc/69/66/26/448696626.db2.gz YSCMLPBWAXNANS-UHFFFAOYSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCCn1cc[nH+]c1 ZINC000579038170 448700192 /nfs/dbraw/zinc/70/01/92/448700192.db2.gz FBYVBWDPIMXJKS-HZPDHXFCSA-N 2 2 335.452 1.168 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000573786217 448710857 /nfs/dbraw/zinc/71/08/57/448710857.db2.gz KDPITUKZNNDFES-SFHVURJKSA-N 2 2 348.491 1.747 20 0 EDADLP COC[C@@]1(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)OCCc2ccccc21 ZINC000573795876 448714918 /nfs/dbraw/zinc/71/49/18/448714918.db2.gz RHDXRYXFTIIQTL-PKOBYXMFSA-N 2 2 334.460 1.146 20 0 EDADLP COC[C@@]1(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)OCCc2ccccc21 ZINC000573795876 448714920 /nfs/dbraw/zinc/71/49/20/448714920.db2.gz RHDXRYXFTIIQTL-PKOBYXMFSA-N 2 2 334.460 1.146 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cn2)CC12CCOCC2 ZINC000579115888 448718396 /nfs/dbraw/zinc/71/83/96/448718396.db2.gz WLORVARPJDRFAS-GFCCVEGCSA-N 2 2 338.839 1.361 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cn2)CC12CCOCC2 ZINC000579115888 448718399 /nfs/dbraw/zinc/71/83/99/448718399.db2.gz WLORVARPJDRFAS-GFCCVEGCSA-N 2 2 338.839 1.361 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCN(C(C)C)C3=O)c2cc1C ZINC000518965519 448726218 /nfs/dbraw/zinc/72/62/18/448726218.db2.gz QRKOPYZDRFGNFA-HOTGVXAUSA-N 2 2 344.459 1.613 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000573906135 448740961 /nfs/dbraw/zinc/74/09/61/448740961.db2.gz ZHVBCWIBHUJCTN-DOTOQJQBSA-N 2 2 331.464 1.297 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000573906136 448741540 /nfs/dbraw/zinc/74/15/40/448741540.db2.gz ZHVBCWIBHUJCTN-NVXWUHKLSA-N 2 2 331.464 1.297 20 0 EDADLP Cc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc(N2CCCC2)n1 ZINC000519138343 448744128 /nfs/dbraw/zinc/74/41/28/448744128.db2.gz WTGUVYZROYREEU-DLBZAZTESA-N 2 2 331.464 1.242 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000519643808 448809359 /nfs/dbraw/zinc/80/93/59/448809359.db2.gz KJSKGZZIFONRMS-MELADBBJSA-N 2 2 335.452 1.232 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCCC(C)(C)C1 ZINC000545992389 448812218 /nfs/dbraw/zinc/81/22/18/448812218.db2.gz PYYZHKWKXHTZFZ-KRWDZBQOSA-N 2 2 339.524 1.925 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567828370 448771287 /nfs/dbraw/zinc/77/12/87/448771287.db2.gz MSSKRKNFGHAMQE-HUUCEWRRSA-N 2 2 325.416 1.729 20 0 EDADLP CNc1[nH+]cnc2c1cnn2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000519534347 448779660 /nfs/dbraw/zinc/77/96/60/448779660.db2.gz FWCKTNJJPWGESI-UHFFFAOYSA-N 2 2 338.415 1.749 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000579592079 448829095 /nfs/dbraw/zinc/82/90/95/448829095.db2.gz BUNKFKXWEWBKCG-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000579592079 448829101 /nfs/dbraw/zinc/82/91/01/448829101.db2.gz BUNKFKXWEWBKCG-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)NCc1ccccc1 ZINC000592476556 448852698 /nfs/dbraw/zinc/85/26/98/448852698.db2.gz ZQQTVVMLBHQGGO-SJORKVTESA-N 2 2 344.459 1.476 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)NCc1ccccc1 ZINC000592476556 448852706 /nfs/dbraw/zinc/85/27/06/448852706.db2.gz ZQQTVVMLBHQGGO-SJORKVTESA-N 2 2 344.459 1.476 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547673983 448911710 /nfs/dbraw/zinc/91/17/10/448911710.db2.gz FKZXEASIAAZKAH-DLBZAZTESA-N 2 2 341.459 1.670 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000579948574 448918597 /nfs/dbraw/zinc/91/85/97/448918597.db2.gz MZSSTCGYHZCZCY-MOPGFXCFSA-N 2 2 344.503 1.705 20 0 EDADLP CS[C@H](CO)[C@@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000568866712 448931098 /nfs/dbraw/zinc/93/10/98/448931098.db2.gz KFAQSBYWWKVWPA-CKEIUWERSA-N 2 2 337.489 1.716 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000579838414 448892328 /nfs/dbraw/zinc/89/23/28/448892328.db2.gz UZKVKTDCASMMMC-RHSMWYFYSA-N 2 2 342.443 1.873 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CC(F)(F)C1 ZINC000529540113 448893029 /nfs/dbraw/zinc/89/30/29/448893029.db2.gz FOQSCJWHDZBEKU-DGCLKSJQSA-N 2 2 326.391 1.935 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1-n1cccn1 ZINC000521216857 448962605 /nfs/dbraw/zinc/96/26/05/448962605.db2.gz MRDWGSNVJHWAFJ-HUUCEWRRSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1-n1cccn1 ZINC000521216857 448962607 /nfs/dbraw/zinc/96/26/07/448962607.db2.gz MRDWGSNVJHWAFJ-HUUCEWRRSA-N 2 2 342.447 1.218 20 0 EDADLP CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)C(C)C ZINC000548010649 448966347 /nfs/dbraw/zinc/96/63/47/448966347.db2.gz KOMCUCIZMHNKSN-BEFAXECRSA-N 2 2 346.475 1.739 20 0 EDADLP CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)C(C)C ZINC000548010649 448966352 /nfs/dbraw/zinc/96/63/52/448966352.db2.gz KOMCUCIZMHNKSN-BEFAXECRSA-N 2 2 346.475 1.739 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000521267726 448968984 /nfs/dbraw/zinc/96/89/84/448968984.db2.gz XHEUOZQQSXSWSR-FMKPAKJESA-N 2 2 330.432 1.202 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000521267726 448968987 /nfs/dbraw/zinc/96/89/87/448968987.db2.gz XHEUOZQQSXSWSR-FMKPAKJESA-N 2 2 330.432 1.202 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000574861030 448971813 /nfs/dbraw/zinc/97/18/13/448971813.db2.gz UNTRDJPAPGTIFR-GDBMZVCRSA-N 2 2 331.464 1.869 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000569202856 448978052 /nfs/dbraw/zinc/97/80/52/448978052.db2.gz TWTICAYAXLGXCO-LSDHHAIUSA-N 2 2 331.395 1.700 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)Cc1cccs1 ZINC000582057924 448999313 /nfs/dbraw/zinc/99/93/13/448999313.db2.gz KGSWYDZKXOFCFU-JONQDZQNSA-N 2 2 326.506 1.986 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Cc1cccs1 ZINC000582057924 448999317 /nfs/dbraw/zinc/99/93/17/448999317.db2.gz KGSWYDZKXOFCFU-JONQDZQNSA-N 2 2 326.506 1.986 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)n1 ZINC000569376931 449016560 /nfs/dbraw/zinc/01/65/60/449016560.db2.gz KNKIERHPYSNPAZ-UHFFFAOYSA-N 2 2 339.403 1.337 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000521877099 449022426 /nfs/dbraw/zinc/02/24/26/449022426.db2.gz XMWKVNSODJJOKT-RHSMWYFYSA-N 2 2 344.459 1.287 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000530025735 449030866 /nfs/dbraw/zinc/03/08/66/449030866.db2.gz GEHWJOFQIKWIKM-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000530025735 449030870 /nfs/dbraw/zinc/03/08/70/449030870.db2.gz GEHWJOFQIKWIKM-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000530025735 449030872 /nfs/dbraw/zinc/03/08/72/449030872.db2.gz GEHWJOFQIKWIKM-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000530025735 449030875 /nfs/dbraw/zinc/03/08/75/449030875.db2.gz GEHWJOFQIKWIKM-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CCO1 ZINC000522268601 449072540 /nfs/dbraw/zinc/07/25/40/449072540.db2.gz JMUHMQLXQVEOAJ-FUHWJXTLSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CCO1 ZINC000522268601 449072545 /nfs/dbraw/zinc/07/25/45/449072545.db2.gz JMUHMQLXQVEOAJ-FUHWJXTLSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCO1 ZINC000522268601 449072549 /nfs/dbraw/zinc/07/25/49/449072549.db2.gz JMUHMQLXQVEOAJ-FUHWJXTLSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CCO1 ZINC000522268601 449072553 /nfs/dbraw/zinc/07/25/53/449072553.db2.gz JMUHMQLXQVEOAJ-FUHWJXTLSA-N 2 2 346.475 1.131 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548657296 449072919 /nfs/dbraw/zinc/07/29/19/449072919.db2.gz XLXSGIURPYJLGA-CQSZACIVSA-N 2 2 349.479 1.387 20 0 EDADLP O=C1N[C@@H]2C[N@H+](Cc3ncccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000530223556 449085776 /nfs/dbraw/zinc/08/57/76/449085776.db2.gz KMDHSFNYAFLFDL-HZPDHXFCSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](Cc3ncccc3Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000530223556 449085781 /nfs/dbraw/zinc/08/57/81/449085781.db2.gz KMDHSFNYAFLFDL-HZPDHXFCSA-N 2 2 349.866 1.455 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)cn2c1 ZINC000592956361 449076412 /nfs/dbraw/zinc/07/64/12/449076412.db2.gz ULTBHAFHVHBHHW-ZFWWWQNUSA-N 2 2 348.472 1.451 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958050 449079373 /nfs/dbraw/zinc/07/93/73/449079373.db2.gz UWWQWLPXNBCHLK-GFCCVEGCSA-N 2 2 328.420 1.110 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000589765241 449059667 /nfs/dbraw/zinc/05/96/67/449059667.db2.gz HQHVSCVZYAACEX-CQSZACIVSA-N 2 2 337.493 1.455 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000589765241 449059671 /nfs/dbraw/zinc/05/96/71/449059671.db2.gz HQHVSCVZYAACEX-CQSZACIVSA-N 2 2 337.493 1.455 20 0 EDADLP C[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000589765241 449059675 /nfs/dbraw/zinc/05/96/75/449059675.db2.gz HQHVSCVZYAACEX-CQSZACIVSA-N 2 2 337.493 1.455 20 0 EDADLP C[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000589765241 449059680 /nfs/dbraw/zinc/05/96/80/449059680.db2.gz HQHVSCVZYAACEX-CQSZACIVSA-N 2 2 337.493 1.455 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000522186260 449060723 /nfs/dbraw/zinc/06/07/23/449060723.db2.gz PAQCLUGFCHCJMY-OAHLLOKOSA-N 2 2 329.448 1.019 20 0 EDADLP C[N@@H+]1CC[C@@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000522235291 449065894 /nfs/dbraw/zinc/06/58/94/449065894.db2.gz RNEGXMZOTDVAHE-MRXNPFEDSA-N 2 2 328.416 1.988 20 0 EDADLP C[N@H+]1CC[C@@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000522235291 449065899 /nfs/dbraw/zinc/06/58/99/449065899.db2.gz RNEGXMZOTDVAHE-MRXNPFEDSA-N 2 2 328.416 1.988 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nnnn3C3CC3)CC2)CC1 ZINC000575241433 449067267 /nfs/dbraw/zinc/06/72/67/449067267.db2.gz FOELLOWRUVEIDK-UHFFFAOYSA-N 2 2 333.484 1.000 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nnnn3C3CC3)CC2)CC1 ZINC000575241433 449067270 /nfs/dbraw/zinc/06/72/70/449067270.db2.gz FOELLOWRUVEIDK-UHFFFAOYSA-N 2 2 333.484 1.000 20 0 EDADLP COc1ccccc1/C=C\C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530242767 449092448 /nfs/dbraw/zinc/09/24/48/449092448.db2.gz OYCPZIZDLOOUTH-XQRVVYSFSA-N 2 2 344.459 1.351 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc([S@](C)=O)c1 ZINC000597943121 449152300 /nfs/dbraw/zinc/15/23/00/449152300.db2.gz UODKIBKSSAWLNA-PSLXWICFSA-N 2 2 339.505 1.426 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc([S@](C)=O)c1 ZINC000597943121 449152303 /nfs/dbraw/zinc/15/23/03/449152303.db2.gz UODKIBKSSAWLNA-PSLXWICFSA-N 2 2 339.505 1.426 20 0 EDADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000604173119 449184727 /nfs/dbraw/zinc/18/47/27/449184727.db2.gz AFAXOBGWUCJMTB-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000604173119 449184760 /nfs/dbraw/zinc/18/47/60/449184760.db2.gz AFAXOBGWUCJMTB-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](c4ccco4)C3)C2)CC1 ZINC000604209699 449194920 /nfs/dbraw/zinc/19/49/20/449194920.db2.gz VUYCFGMWZLYDIX-JKSUJKDBSA-N 2 2 346.475 1.947 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](c4ccco4)C3)C2)CC1 ZINC000604209699 449194922 /nfs/dbraw/zinc/19/49/22/449194922.db2.gz VUYCFGMWZLYDIX-JKSUJKDBSA-N 2 2 346.475 1.947 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000593922209 449289685 /nfs/dbraw/zinc/28/96/85/449289685.db2.gz BWEZBCPLCDBXMI-WNSKOXEYSA-N 2 2 339.505 1.951 20 0 EDADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000590850012 449320564 /nfs/dbraw/zinc/32/05/64/449320564.db2.gz NXFLXAGUXPWUGN-MRXNPFEDSA-N 2 2 348.495 1.256 20 0 EDADLP COC(=O)c1cccnc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000590953257 449356179 /nfs/dbraw/zinc/35/61/79/449356179.db2.gz FNMSFYWQHPOPTF-INIZCTEOSA-N 2 2 346.475 1.469 20 0 EDADLP COC(=O)c1cccnc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000590953257 449356181 /nfs/dbraw/zinc/35/61/81/449356181.db2.gz FNMSFYWQHPOPTF-INIZCTEOSA-N 2 2 346.475 1.469 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn4ccccc4n3)C2)CC1 ZINC000602194987 449424785 /nfs/dbraw/zinc/42/47/85/449424785.db2.gz JIYVFOKWELGWHC-AWEZNQCLSA-N 2 2 327.432 1.233 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn4ccccc4n3)C2)CC1 ZINC000602194987 449424789 /nfs/dbraw/zinc/42/47/89/449424789.db2.gz JIYVFOKWELGWHC-AWEZNQCLSA-N 2 2 327.432 1.233 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000611807391 449429377 /nfs/dbraw/zinc/42/93/77/449429377.db2.gz SUDPLMCTAPGAKJ-BZUAXINKSA-N 2 2 334.464 1.483 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)NCc3[nH+]ccn3C)CCCC2)CC1 ZINC000594306009 449440087 /nfs/dbraw/zinc/44/00/87/449440087.db2.gz MPTVHWCSUUPHJB-UHFFFAOYSA-N 2 2 349.479 1.643 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000596691434 449609258 /nfs/dbraw/zinc/60/92/58/449609258.db2.gz BBNCLRQEBQDHOA-UHFFFAOYSA-N 2 2 343.475 1.606 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CCN2C1=O ZINC000594736347 449655895 /nfs/dbraw/zinc/65/58/95/449655895.db2.gz BPDGUGPUOMZXBM-WFASDCNBSA-N 2 2 330.819 1.632 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CCN2C1=O ZINC000594736347 449655901 /nfs/dbraw/zinc/65/59/01/449655901.db2.gz BPDGUGPUOMZXBM-WFASDCNBSA-N 2 2 330.819 1.632 20 0 EDADLP COC(=O)c1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000602603068 449699229 /nfs/dbraw/zinc/69/92/29/449699229.db2.gz PXBVGSAQBMUUAX-UHFFFAOYSA-N 2 2 340.383 1.530 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000599088074 449725724 /nfs/dbraw/zinc/72/57/24/449725724.db2.gz JGAPHKBBUGZBGT-KRWDZBQOSA-N 2 2 347.459 1.310 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000599088074 449725733 /nfs/dbraw/zinc/72/57/33/449725733.db2.gz JGAPHKBBUGZBGT-KRWDZBQOSA-N 2 2 347.459 1.310 20 0 EDADLP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602751201 449785792 /nfs/dbraw/zinc/78/57/92/449785792.db2.gz UMLJVIMDFLPYPF-NVXWUHKLSA-N 2 2 345.443 1.233 20 0 EDADLP COC(=O)CNC(=O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602751201 449785797 /nfs/dbraw/zinc/78/57/97/449785797.db2.gz UMLJVIMDFLPYPF-NVXWUHKLSA-N 2 2 345.443 1.233 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000617720309 449769359 /nfs/dbraw/zinc/76/93/59/449769359.db2.gz AWGYBBXNVXGZQM-KBPBESRZSA-N 2 2 329.404 1.106 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000617720309 449769363 /nfs/dbraw/zinc/76/93/63/449769363.db2.gz AWGYBBXNVXGZQM-KBPBESRZSA-N 2 2 329.404 1.106 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000612624476 449805423 /nfs/dbraw/zinc/80/54/23/449805423.db2.gz UXRLDNULZSYFPH-IAGOWNOFSA-N 2 2 342.443 1.820 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335830 449845103 /nfs/dbraw/zinc/84/51/03/449845103.db2.gz YGSVCTXWIIYJGY-XJKSGUPXSA-N 2 2 346.431 1.417 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335830 449845108 /nfs/dbraw/zinc/84/51/08/449845108.db2.gz YGSVCTXWIIYJGY-XJKSGUPXSA-N 2 2 346.431 1.417 20 0 EDADLP C[C@@H](CSCCF)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000595034263 449846154 /nfs/dbraw/zinc/84/61/54/449846154.db2.gz TZZKLAXEYBXCFS-STQMWFEESA-N 2 2 328.457 1.592 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000617767266 449830613 /nfs/dbraw/zinc/83/06/13/449830613.db2.gz MWJNVULGNPNPRM-UHFFFAOYSA-N 2 2 346.431 1.661 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000617767266 449830622 /nfs/dbraw/zinc/83/06/22/449830622.db2.gz MWJNVULGNPNPRM-UHFFFAOYSA-N 2 2 346.431 1.661 20 0 EDADLP Cc1cc(C)cc(C(=O)NCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617768621 449834287 /nfs/dbraw/zinc/83/42/87/449834287.db2.gz MVHNFBUVZMOAAW-UHFFFAOYSA-N 2 2 348.491 1.033 20 0 EDADLP Cc1cc(C)cc(C(=O)NCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617768621 449834289 /nfs/dbraw/zinc/83/42/89/449834289.db2.gz MVHNFBUVZMOAAW-UHFFFAOYSA-N 2 2 348.491 1.033 20 0 EDADLP COC(=O)c1coc([C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000602765896 449791649 /nfs/dbraw/zinc/79/16/49/449791649.db2.gz MDSQOOZADOAAKV-ZDUSSCGKSA-N 2 2 337.420 1.566 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000599293856 449868693 /nfs/dbraw/zinc/86/86/93/449868693.db2.gz WCUKGZAYPBQLMP-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000599293856 449868697 /nfs/dbraw/zinc/86/86/97/449868697.db2.gz WCUKGZAYPBQLMP-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000597215689 449876175 /nfs/dbraw/zinc/87/61/75/449876175.db2.gz LDWQJDRMRLPGBF-ZDUSSCGKSA-N 2 2 349.431 1.273 20 0 EDADLP COC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000597215689 449876179 /nfs/dbraw/zinc/87/61/79/449876179.db2.gz LDWQJDRMRLPGBF-ZDUSSCGKSA-N 2 2 349.431 1.273 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000612862148 449915114 /nfs/dbraw/zinc/91/51/14/449915114.db2.gz IBXXFHHHSMXXJL-PKOBYXMFSA-N 2 2 346.475 1.420 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258124 449985433 /nfs/dbraw/zinc/98/54/33/449985433.db2.gz MPZRDNXXTSBYND-GHMZBOCLSA-N 2 2 347.341 1.297 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258124 449985436 /nfs/dbraw/zinc/98/54/36/449985436.db2.gz MPZRDNXXTSBYND-GHMZBOCLSA-N 2 2 347.341 1.297 20 0 EDADLP CN(C(=O)CCc1nccs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477330 450000678 /nfs/dbraw/zinc/00/06/78/450000678.db2.gz QQETUJVSNHQEAG-OAHLLOKOSA-N 2 2 336.505 1.703 20 0 EDADLP CN(C(=O)CCc1nccs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477330 450000682 /nfs/dbraw/zinc/00/06/82/450000682.db2.gz QQETUJVSNHQEAG-OAHLLOKOSA-N 2 2 336.505 1.703 20 0 EDADLP Cc1cnn(CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601478568 450001259 /nfs/dbraw/zinc/00/12/59/450001259.db2.gz NNUIREKDBRJPSQ-QGZVFWFLSA-N 2 2 333.480 1.209 20 0 EDADLP Cc1cnn(CCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000601478568 450001266 /nfs/dbraw/zinc/00/12/66/450001266.db2.gz NNUIREKDBRJPSQ-QGZVFWFLSA-N 2 2 333.480 1.209 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000613413695 450169121 /nfs/dbraw/zinc/16/91/21/450169121.db2.gz PHLXZJHTOUWYSF-UHFFFAOYSA-N 2 2 337.427 1.862 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000613413695 450169125 /nfs/dbraw/zinc/16/91/25/450169125.db2.gz PHLXZJHTOUWYSF-UHFFFAOYSA-N 2 2 337.427 1.862 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-n3cc[nH+]c3)nn1)C2 ZINC000615620863 450170193 /nfs/dbraw/zinc/17/01/93/450170193.db2.gz WXOXSBHJRLUTMZ-QGZVFWFLSA-N 2 2 326.404 1.220 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-n3cc[nH+]c3)nn1)C2 ZINC000615620863 450170196 /nfs/dbraw/zinc/17/01/96/450170196.db2.gz WXOXSBHJRLUTMZ-QGZVFWFLSA-N 2 2 326.404 1.220 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc(C(N)=O)cc3Cl)C2)CC1 ZINC000603395218 450279370 /nfs/dbraw/zinc/27/93/70/450279370.db2.gz WHTXIMPDFCWCIF-GFCCVEGCSA-N 2 2 337.855 1.414 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc(C(N)=O)cc3Cl)C2)CC1 ZINC000603395218 450279373 /nfs/dbraw/zinc/27/93/73/450279373.db2.gz WHTXIMPDFCWCIF-GFCCVEGCSA-N 2 2 337.855 1.414 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000613840207 450334864 /nfs/dbraw/zinc/33/48/64/450334864.db2.gz JHHLVCSVIPPLMA-INIZCTEOSA-N 2 2 326.444 1.935 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000613840207 450334870 /nfs/dbraw/zinc/33/48/70/450334870.db2.gz JHHLVCSVIPPLMA-INIZCTEOSA-N 2 2 326.444 1.935 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cncc(OC)n3)CC2)CC1 ZINC000625482002 450386518 /nfs/dbraw/zinc/38/65/18/450386518.db2.gz LANKCSAZEGONMK-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cncc(OC)n3)CC2)CC1 ZINC000625482002 450386520 /nfs/dbraw/zinc/38/65/20/450386520.db2.gz LANKCSAZEGONMK-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cncc(OC)n3)CC2)CC1 ZINC000625482002 450386522 /nfs/dbraw/zinc/38/65/22/450386522.db2.gz LANKCSAZEGONMK-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cncc(OC)n3)CC2)CC1 ZINC000625482002 450386523 /nfs/dbraw/zinc/38/65/23/450386523.db2.gz LANKCSAZEGONMK-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP COC(=O)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)o1 ZINC000610910667 450379211 /nfs/dbraw/zinc/37/92/11/450379211.db2.gz PARIURDLTQPBIH-UHFFFAOYSA-N 2 2 344.371 1.465 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1F ZINC000620158878 450444336 /nfs/dbraw/zinc/44/43/36/450444336.db2.gz CSNLAWWEBGJMOC-INIZCTEOSA-N 3 2 332.423 1.866 20 0 EDADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@H](C(F)(F)F)C1 ZINC000623257711 450466402 /nfs/dbraw/zinc/46/64/02/450466402.db2.gz RVSMAIGCRHMINR-CYZMBNFOSA-N 2 2 344.381 1.833 20 0 EDADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@H](C(F)(F)F)C1 ZINC000623257711 450466403 /nfs/dbraw/zinc/46/64/03/450466403.db2.gz RVSMAIGCRHMINR-CYZMBNFOSA-N 2 2 344.381 1.833 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623379534 450509738 /nfs/dbraw/zinc/50/97/38/450509738.db2.gz WTNXTJQSFZSPEU-KRWDZBQOSA-N 3 2 331.508 1.796 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623379534 450509742 /nfs/dbraw/zinc/50/97/42/450509742.db2.gz WTNXTJQSFZSPEU-KRWDZBQOSA-N 3 2 331.508 1.796 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000623480453 450528809 /nfs/dbraw/zinc/52/88/09/450528809.db2.gz WDAQTVXQIUEVJO-HZPDHXFCSA-N 2 2 332.448 1.077 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000620772925 450542327 /nfs/dbraw/zinc/54/23/27/450542327.db2.gz QNXYJDSPXBNLNT-SJORKVTESA-N 2 2 333.501 1.814 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000620772925 450542331 /nfs/dbraw/zinc/54/23/31/450542331.db2.gz QNXYJDSPXBNLNT-SJORKVTESA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000620772925 450542334 /nfs/dbraw/zinc/54/23/34/450542334.db2.gz QNXYJDSPXBNLNT-SJORKVTESA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@H]1CCSC1 ZINC000620772925 450542335 /nfs/dbraw/zinc/54/23/35/450542335.db2.gz QNXYJDSPXBNLNT-SJORKVTESA-N 2 2 333.501 1.814 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccccc1Br ZINC000623617765 450552236 /nfs/dbraw/zinc/55/22/36/450552236.db2.gz NDFYIFYNMLWJBQ-AWEZNQCLSA-N 2 2 340.265 1.879 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccccc1Br ZINC000623617765 450552238 /nfs/dbraw/zinc/55/22/38/450552238.db2.gz NDFYIFYNMLWJBQ-AWEZNQCLSA-N 2 2 340.265 1.879 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000623680806 450565125 /nfs/dbraw/zinc/56/51/25/450565125.db2.gz BQHVLDQEJWAUFG-RDJZCZTQSA-N 2 2 349.479 1.334 20 0 EDADLP CC[N@H+](Cc1nnc2n1CCOC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063197 450566036 /nfs/dbraw/zinc/56/60/36/450566036.db2.gz VITBHOZGOZECEO-UHFFFAOYSA-N 2 2 329.448 1.892 20 0 EDADLP CC[N@@H+](Cc1nnc2n1CCOC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063197 450566039 /nfs/dbraw/zinc/56/60/39/450566039.db2.gz VITBHOZGOZECEO-UHFFFAOYSA-N 2 2 329.448 1.892 20 0 EDADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000623758070 450578446 /nfs/dbraw/zinc/57/84/46/450578446.db2.gz OGYPYAKBHCQBAG-GOSISDBHSA-N 3 2 333.476 1.317 20 0 EDADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000623758070 450578449 /nfs/dbraw/zinc/57/84/49/450578449.db2.gz OGYPYAKBHCQBAG-GOSISDBHSA-N 3 2 333.476 1.317 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627256609 450584949 /nfs/dbraw/zinc/58/49/49/450584949.db2.gz PYHIUCSQQGLLCP-MSOLQXFVSA-N 2 2 340.427 1.213 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000627256609 450584954 /nfs/dbraw/zinc/58/49/54/450584954.db2.gz PYHIUCSQQGLLCP-MSOLQXFVSA-N 2 2 340.427 1.213 20 0 EDADLP CC(C)[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000621154999 450603732 /nfs/dbraw/zinc/60/37/32/450603732.db2.gz WRLWFSSVHYAOOP-LJQANCHMSA-N 2 2 344.503 1.504 20 0 EDADLP Cc1csc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000623916638 450635561 /nfs/dbraw/zinc/63/55/61/450635561.db2.gz VJWGPYXBYAJTNJ-KGLIPLIRSA-N 2 2 338.477 1.035 20 0 EDADLP Nc1nc(NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nc(N)[nH+]1 ZINC000623959955 450651355 /nfs/dbraw/zinc/65/13/55/450651355.db2.gz DHRVQQUZGUBMLQ-CYBMUJFWSA-N 2 2 347.854 1.239 20 0 EDADLP Nc1nc(NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nc(N)[nH+]1 ZINC000623959955 450651361 /nfs/dbraw/zinc/65/13/61/450651361.db2.gz DHRVQQUZGUBMLQ-CYBMUJFWSA-N 2 2 347.854 1.239 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000629415559 450661578 /nfs/dbraw/zinc/66/15/78/450661578.db2.gz XEJLECZENVXCAU-INIZCTEOSA-N 2 2 346.475 1.549 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000623988386 450662332 /nfs/dbraw/zinc/66/23/32/450662332.db2.gz HUPVQRYAYCBAJE-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000623988386 450662335 /nfs/dbraw/zinc/66/23/35/450662335.db2.gz HUPVQRYAYCBAJE-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000623988386 450662337 /nfs/dbraw/zinc/66/23/37/450662337.db2.gz HUPVQRYAYCBAJE-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000623988386 450662339 /nfs/dbraw/zinc/66/23/39/450662339.db2.gz HUPVQRYAYCBAJE-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000629537694 450727668 /nfs/dbraw/zinc/72/76/68/450727668.db2.gz LUJRBFWXECJKEH-VNHYZAJKSA-N 2 2 325.478 1.728 20 0 EDADLP c1[nH+]cn2c1c(NC1CC[NH+]([C@@H]3CCOC3)CC1)nc1ccccc12 ZINC000624050600 450685625 /nfs/dbraw/zinc/68/56/25/450685625.db2.gz CDAKHBUFHSPTEL-OAHLLOKOSA-N 2 2 337.427 2.548 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000633158612 450717406 /nfs/dbraw/zinc/71/74/06/450717406.db2.gz SSOVCOYBGNCLCH-MRXNPFEDSA-N 2 2 343.431 1.318 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000633158612 450717412 /nfs/dbraw/zinc/71/74/12/450717412.db2.gz SSOVCOYBGNCLCH-MRXNPFEDSA-N 2 2 343.431 1.318 20 0 EDADLP O=C1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1c1ccccc1Cl ZINC000629563647 450737834 /nfs/dbraw/zinc/73/78/34/450737834.db2.gz PXIQBJDGTYZZHO-DZGCQCFKSA-N 2 2 337.851 1.492 20 0 EDADLP Oc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1Br ZINC000629570306 450740484 /nfs/dbraw/zinc/74/04/84/450740484.db2.gz BXEFOIRXVJTQJU-LBPRGKRZSA-N 2 2 329.238 1.701 20 0 EDADLP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000621485575 450742212 /nfs/dbraw/zinc/74/22/12/450742212.db2.gz UEGGPWHLLWDRNY-MRXNPFEDSA-N 2 2 347.459 1.475 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629575129 450744579 /nfs/dbraw/zinc/74/45/79/450744579.db2.gz LKTKAAHZJXBYGK-UHFFFAOYSA-N 2 2 345.447 1.335 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629575129 450744580 /nfs/dbraw/zinc/74/45/80/450744580.db2.gz LKTKAAHZJXBYGK-UHFFFAOYSA-N 2 2 345.447 1.335 20 0 EDADLP Cc1cc(NCC[NH2+]C[C@H](O)COc2ccccc2)nc(C(C)C)[nH+]1 ZINC000629594313 450754452 /nfs/dbraw/zinc/75/44/52/450754452.db2.gz QOPAYMADUJRIJW-INIZCTEOSA-N 2 2 344.459 2.350 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cnn(CC[NH+](C)C)c2)CC1(C)C ZINC000633263562 450764238 /nfs/dbraw/zinc/76/42/38/450764238.db2.gz NWETZAAEHFZZIV-AWEZNQCLSA-N 2 2 330.436 1.402 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)CC2 ZINC000626496053 450767737 /nfs/dbraw/zinc/76/77/37/450767737.db2.gz BRMZSJXJHFRCIA-MRXNPFEDSA-N 2 2 347.507 1.286 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)cc(OC)c1OC ZINC000631858997 450829373 /nfs/dbraw/zinc/82/93/73/450829373.db2.gz HPXVJZMJPZIWSH-VXGBXAGGSA-N 2 2 337.420 1.463 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2C[C@H]([NH3+])C[C@H]2C)cc(OC)c1OC ZINC000631858997 450829379 /nfs/dbraw/zinc/82/93/79/450829379.db2.gz HPXVJZMJPZIWSH-VXGBXAGGSA-N 2 2 337.420 1.463 20 0 EDADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)nn1 ZINC000631889187 450850315 /nfs/dbraw/zinc/85/03/15/450850315.db2.gz CZGMCWAGIZTILS-AAEUAGOBSA-N 2 2 330.354 1.992 20 0 EDADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)nn1 ZINC000631889187 450850320 /nfs/dbraw/zinc/85/03/20/450850320.db2.gz CZGMCWAGIZTILS-AAEUAGOBSA-N 2 2 330.354 1.992 20 0 EDADLP COc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH]n1 ZINC000626696891 450856774 /nfs/dbraw/zinc/85/67/74/450856774.db2.gz JIDZXRXGZJDAGA-PBWFPOADSA-N 2 2 348.451 1.193 20 0 EDADLP COc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]n1 ZINC000626696891 450856777 /nfs/dbraw/zinc/85/67/77/450856777.db2.gz JIDZXRXGZJDAGA-PBWFPOADSA-N 2 2 348.451 1.193 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(CO)c(C)o3)CC2)CC1 ZINC000633458988 450861098 /nfs/dbraw/zinc/86/10/98/450861098.db2.gz QATRXIGJQHGFFP-UHFFFAOYSA-N 2 2 349.475 1.713 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(CO)c(C)o3)CC2)CC1 ZINC000633458988 450861108 /nfs/dbraw/zinc/86/11/08/450861108.db2.gz QATRXIGJQHGFFP-UHFFFAOYSA-N 2 2 349.475 1.713 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[N@@H+](C)C2CCC2)[NH+]2CCOCC2)cc1 ZINC000629950076 450910507 /nfs/dbraw/zinc/91/05/07/450910507.db2.gz GFGGNIYBLPQCOW-IBGZPJMESA-N 2 2 345.487 1.969 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[N@H+](C)C2CCC2)[NH+]2CCOCC2)cc1 ZINC000629950076 450910512 /nfs/dbraw/zinc/91/05/12/450910512.db2.gz GFGGNIYBLPQCOW-IBGZPJMESA-N 2 2 345.487 1.969 20 0 EDADLP C[N@H+](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCC1 ZINC000629964990 450922486 /nfs/dbraw/zinc/92/24/86/450922486.db2.gz NNXLAPMCQDFWLJ-UHFFFAOYSA-N 3 2 336.524 1.537 20 0 EDADLP C[N@@H+](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCC1 ZINC000629964990 450922489 /nfs/dbraw/zinc/92/24/89/450922489.db2.gz NNXLAPMCQDFWLJ-UHFFFAOYSA-N 3 2 336.524 1.537 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cncnc1 ZINC000629974868 450928926 /nfs/dbraw/zinc/92/89/26/450928926.db2.gz LCLAENLGRKUPQW-QTXGHNMQSA-N 2 2 343.475 1.350 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cncnc1 ZINC000629974868 450928929 /nfs/dbraw/zinc/92/89/29/450928929.db2.gz LCLAENLGRKUPQW-QTXGHNMQSA-N 2 2 343.475 1.350 20 0 EDADLP C[C@H](C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1)[NH+](C)C ZINC000635440349 450943412 /nfs/dbraw/zinc/94/34/12/450943412.db2.gz SBZVFEWDSMGBQC-CYBMUJFWSA-N 2 2 349.866 1.582 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635488214 450985147 /nfs/dbraw/zinc/98/51/47/450985147.db2.gz CMADVPRHTVAORX-UHFFFAOYSA-N 2 2 331.460 1.681 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2cccc(OCC[NH+](C)C)c2)[nH+]1 ZINC000635487895 450985250 /nfs/dbraw/zinc/98/52/50/450985250.db2.gz VLPNQPYDPNZQOV-UHFFFAOYSA-N 2 2 330.432 1.771 20 0 EDADLP CC(C)C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)n1cc[nH+]c1 ZINC000635489899 450986842 /nfs/dbraw/zinc/98/68/42/450986842.db2.gz ZKAVJUKHKQGQBY-HZPDHXFCSA-N 2 2 349.479 1.174 20 0 EDADLP CC(C)C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)n1cc[nH+]c1 ZINC000635489899 450986848 /nfs/dbraw/zinc/98/68/48/450986848.db2.gz ZKAVJUKHKQGQBY-HZPDHXFCSA-N 2 2 349.479 1.174 20 0 EDADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccc1O)[C@H]1C[NH+]2CCC1CC2 ZINC000635549408 451045610 /nfs/dbraw/zinc/04/56/10/451045610.db2.gz LQFWIZFOIVYNLT-INIZCTEOSA-N 2 2 326.400 1.744 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635604148 451098058 /nfs/dbraw/zinc/09/80/58/451098058.db2.gz VYLAYLWAJXKHOO-BBRMVZONSA-N 2 2 328.416 1.990 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635604148 451098059 /nfs/dbraw/zinc/09/80/59/451098059.db2.gz VYLAYLWAJXKHOO-BBRMVZONSA-N 2 2 328.416 1.990 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+]3C3CCCC3)C2)CC1 ZINC000635551584 451048725 /nfs/dbraw/zinc/04/87/25/451048725.db2.gz NWFKCYXGXXDGQG-MAUKXSAKSA-N 3 2 334.508 1.288 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+]3C3CCCC3)C2)CC1 ZINC000635551584 451048731 /nfs/dbraw/zinc/04/87/31/451048731.db2.gz NWFKCYXGXXDGQG-MAUKXSAKSA-N 3 2 334.508 1.288 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000635551584 451048736 /nfs/dbraw/zinc/04/87/36/451048736.db2.gz NWFKCYXGXXDGQG-MAUKXSAKSA-N 3 2 334.508 1.288 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000635551584 451048739 /nfs/dbraw/zinc/04/87/39/451048739.db2.gz NWFKCYXGXXDGQG-MAUKXSAKSA-N 3 2 334.508 1.288 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000627108621 451127475 /nfs/dbraw/zinc/12/74/75/451127475.db2.gz KIANJUOIRMNXLU-UHFFFAOYSA-N 2 2 333.436 1.063 20 0 EDADLP C[C@@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1[nH+]ccn1C ZINC000627118249 451133493 /nfs/dbraw/zinc/13/34/93/451133493.db2.gz VWOFWYOFBXVLIW-UKRRQHHQSA-N 2 2 335.452 1.281 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)n1cc[nH+]c1 ZINC000635695694 451178201 /nfs/dbraw/zinc/17/82/01/451178201.db2.gz YTLVAURVPPJFEW-HNNXBMFYSA-N 2 2 330.436 1.553 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627198106 451181342 /nfs/dbraw/zinc/18/13/42/451181342.db2.gz IOFRHAKEPSXOJE-BFYDXBDKSA-N 2 2 331.464 1.610 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cnn(C3CC[NH+](C)CC3)c1)CC2 ZINC000634098110 451192204 /nfs/dbraw/zinc/19/22/04/451192204.db2.gz QUWRTVUVXFHVSO-CQSZACIVSA-N 2 2 342.447 1.856 20 0 EDADLP C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194654 451231379 /nfs/dbraw/zinc/23/13/79/451231379.db2.gz MPYWQKQZUAJZEQ-HOCLYGCPSA-N 2 2 348.447 1.356 20 0 EDADLP CCCCNc1cc(N2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc(N)[nH+]1 ZINC000630545868 451240431 /nfs/dbraw/zinc/24/04/31/451240431.db2.gz MPICMVCJSKRPRF-HNNXBMFYSA-N 2 2 348.495 1.866 20 0 EDADLP CCCCNc1cc(N2CCC(CO[C@H]3CC[NH2+]C3)CC2)[nH+]c(N)n1 ZINC000630545868 451240433 /nfs/dbraw/zinc/24/04/33/451240433.db2.gz MPICMVCJSKRPRF-HNNXBMFYSA-N 2 2 348.495 1.866 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638097263 451260847 /nfs/dbraw/zinc/26/08/47/451260847.db2.gz CXVXBQLUHAEPNZ-SMDDNHRTSA-N 2 2 345.365 1.542 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638097263 451260850 /nfs/dbraw/zinc/26/08/50/451260850.db2.gz CXVXBQLUHAEPNZ-SMDDNHRTSA-N 2 2 345.365 1.542 20 0 EDADLP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636557991 451301297 /nfs/dbraw/zinc/30/12/97/451301297.db2.gz HMXHSXDPNNBHBV-SJLPKXTDSA-N 2 2 339.443 1.944 20 0 EDADLP CCN1CCN(C(=O)NCC2(C)CC[NH2+]CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000640499902 451350541 /nfs/dbraw/zinc/35/05/41/451350541.db2.gz GWOJSFWPLOISHI-CQSZACIVSA-N 2 2 334.468 1.188 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000634511183 451378376 /nfs/dbraw/zinc/37/83/76/451378376.db2.gz DMEIRPPDEIAZFN-BRWVUGGUSA-N 2 2 345.491 1.425 20 0 EDADLP C[C@@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)CN1CC[NH+](C)CC1 ZINC000640563146 451407818 /nfs/dbraw/zinc/40/78/18/451407818.db2.gz QHNIKCFTKMRTDB-HNNXBMFYSA-N 2 2 348.495 1.148 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000628774305 451409430 /nfs/dbraw/zinc/40/94/30/451409430.db2.gz RGDJYDFTNDNRDL-CJNGLKHVSA-N 2 2 346.406 1.723 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638298759 451413527 /nfs/dbraw/zinc/41/35/27/451413527.db2.gz GDXFJMNAJLJKMD-GOSISDBHSA-N 2 2 343.475 1.499 20 0 EDADLP CC[C@@H](C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[NH+](CC)CC ZINC000628825888 451434234 /nfs/dbraw/zinc/43/42/34/451434234.db2.gz AWAVULRTTDXZHD-HNNXBMFYSA-N 2 2 335.496 2.557 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000640604600 451451151 /nfs/dbraw/zinc/45/11/51/451451151.db2.gz PNVPWCXYDLPHGW-AWEZNQCLSA-N 2 2 333.436 1.334 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)C1 ZINC000640611830 451458953 /nfs/dbraw/zinc/45/89/53/451458953.db2.gz KBDDEZVHQMUXMJ-ZDUSSCGKSA-N 2 2 328.420 1.898 20 0 EDADLP O[C@@]1(C[NH2+]Cc2cnc3n2CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000634714357 451494596 /nfs/dbraw/zinc/49/45/96/451494596.db2.gz JZPUMXWHWYHCKI-HXUWFJFHSA-N 2 2 340.471 1.946 20 0 EDADLP O[C@@]1(C[NH2+]Cc2cnc3n2CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000634714357 451494600 /nfs/dbraw/zinc/49/46/00/451494600.db2.gz JZPUMXWHWYHCKI-HXUWFJFHSA-N 2 2 340.471 1.946 20 0 EDADLP O[C@@]1(CNCc2c[nH+]c3n2CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000634714357 451494605 /nfs/dbraw/zinc/49/46/05/451494605.db2.gz JZPUMXWHWYHCKI-HXUWFJFHSA-N 2 2 340.471 1.946 20 0 EDADLP O[C@@]1(CNCc2c[nH+]c3n2CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000634714357 451494610 /nfs/dbraw/zinc/49/46/10/451494610.db2.gz JZPUMXWHWYHCKI-HXUWFJFHSA-N 2 2 340.471 1.946 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1nnc2n1CCCCC2 ZINC000638342125 451446068 /nfs/dbraw/zinc/44/60/68/451446068.db2.gz BAMXGFZWNDYFBJ-CQSZACIVSA-N 2 2 335.496 1.890 20 0 EDADLP O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719572 451499061 /nfs/dbraw/zinc/49/90/61/451499061.db2.gz VPHFFEAXHFXVMY-HKBOAZHASA-N 2 2 338.451 1.871 20 0 EDADLP O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719572 451499069 /nfs/dbraw/zinc/49/90/69/451499069.db2.gz VPHFFEAXHFXVMY-HKBOAZHASA-N 2 2 338.451 1.871 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)C1CC1 ZINC000634723834 451503938 /nfs/dbraw/zinc/50/39/38/451503938.db2.gz DUORAMVBXAEZEL-BBRMVZONSA-N 2 2 330.831 1.947 20 0 EDADLP CN1CCCC[C@@H]([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000634744665 451522195 /nfs/dbraw/zinc/52/21/95/451522195.db2.gz GMHHNCVKAIPBOQ-LJQANCHMSA-N 2 2 345.487 1.962 20 0 EDADLP CN1CCCC[C@@H]([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000634744665 451522199 /nfs/dbraw/zinc/52/21/99/451522199.db2.gz GMHHNCVKAIPBOQ-LJQANCHMSA-N 2 2 345.487 1.962 20 0 EDADLP COc1cc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000638462169 451528909 /nfs/dbraw/zinc/52/89/09/451528909.db2.gz JQTRYSIGMILFCY-UHFFFAOYSA-N 3 2 347.488 1.849 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC([C@H]4CCC[NH2+]4)CC3)[nH+]cn2)CC1 ZINC000634807666 451563530 /nfs/dbraw/zinc/56/35/30/451563530.db2.gz WQQRBTLIITXHQD-MRXNPFEDSA-N 2 2 345.491 1.796 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC([C@H]4CCC[NH2+]4)CC3)nc[nH+]2)CC1 ZINC000634807666 451563536 /nfs/dbraw/zinc/56/35/36/451563536.db2.gz WQQRBTLIITXHQD-MRXNPFEDSA-N 2 2 345.491 1.796 20 0 EDADLP CC1(O)CCN(c2cc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)[nH+]cn2)CC1 ZINC000634810062 451564971 /nfs/dbraw/zinc/56/49/71/451564971.db2.gz LGZSNBGRXGKGHP-GASCZTMLSA-N 2 2 331.464 1.264 20 0 EDADLP CC1(O)CCN(c2cc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)nc[nH+]2)CC1 ZINC000634810062 451564975 /nfs/dbraw/zinc/56/49/75/451564975.db2.gz LGZSNBGRXGKGHP-GASCZTMLSA-N 2 2 331.464 1.264 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1C(F)(F)F ZINC000638557253 451575642 /nfs/dbraw/zinc/57/56/42/451575642.db2.gz HPFVEOGGBWBTEE-WCQYABFASA-N 2 2 344.381 1.748 20 0 EDADLP COc1cccc([C@@H](NC(=O)Cn2cc[nH+]c2C)c2[nH+]ccn2C)c1 ZINC000636236287 451608841 /nfs/dbraw/zinc/60/88/41/451608841.db2.gz AJCZATXXWSNHCC-QGZVFWFLSA-N 2 2 339.399 1.839 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2nc3cc(F)ccc3o2)C1 ZINC000634959886 451624979 /nfs/dbraw/zinc/62/49/79/451624979.db2.gz DOHPJQIXXQAPMB-GFCCVEGCSA-N 2 2 334.395 1.644 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2nc3cc(F)ccc3o2)C1 ZINC000634959886 451624983 /nfs/dbraw/zinc/62/49/83/451624983.db2.gz DOHPJQIXXQAPMB-GFCCVEGCSA-N 2 2 334.395 1.644 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](OC)C2)[nH+]1 ZINC000636281838 451649231 /nfs/dbraw/zinc/64/92/31/451649231.db2.gz BKUMWYLAUMORBZ-OAGGEKHMSA-N 2 2 334.464 1.615 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](OC)C2)[nH+]1 ZINC000636281838 451649235 /nfs/dbraw/zinc/64/92/35/451649235.db2.gz BKUMWYLAUMORBZ-OAGGEKHMSA-N 2 2 334.464 1.615 20 0 EDADLP CN(C(=O)c1cnn(CC2CC2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246780 451660228 /nfs/dbraw/zinc/66/02/28/451660228.db2.gz JEYPTKOBYGTRSE-SFHVURJKSA-N 2 2 345.491 1.534 20 0 EDADLP CN(C(=O)c1cnn(CC2CC2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246780 451660233 /nfs/dbraw/zinc/66/02/33/451660233.db2.gz JEYPTKOBYGTRSE-SFHVURJKSA-N 2 2 345.491 1.534 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638851618 451710621 /nfs/dbraw/zinc/71/06/21/451710621.db2.gz LAWOEQFPAZNGGC-BPQIPLTHSA-N 3 2 332.492 1.150 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638851618 451710625 /nfs/dbraw/zinc/71/06/25/451710625.db2.gz LAWOEQFPAZNGGC-BPQIPLTHSA-N 3 2 332.492 1.150 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ncc4n3CCCC4)C2)CC1 ZINC000631258554 451667119 /nfs/dbraw/zinc/66/71/19/451667119.db2.gz AOHKPFYFCFXZNE-AWEZNQCLSA-N 2 2 331.464 1.118 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ncc4n3CCCC4)C2)CC1 ZINC000631258554 451667120 /nfs/dbraw/zinc/66/71/20/451667120.db2.gz AOHKPFYFCFXZNE-AWEZNQCLSA-N 2 2 331.464 1.118 20 0 EDADLP CCc1ccc([C@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000636474355 451726831 /nfs/dbraw/zinc/72/68/31/451726831.db2.gz UGSGOHRLZGWOGB-AEFFLSMTSA-N 2 2 341.459 1.972 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)cn2)CC1 ZINC000637156599 451743255 /nfs/dbraw/zinc/74/32/55/451743255.db2.gz DMTCAYPLJOVSPV-LBPRGKRZSA-N 2 2 343.435 1.552 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)cn2)CC1 ZINC000637156599 451743258 /nfs/dbraw/zinc/74/32/58/451743258.db2.gz DMTCAYPLJOVSPV-LBPRGKRZSA-N 2 2 343.435 1.552 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ncc2n1CCCC2 ZINC000638983461 451746171 /nfs/dbraw/zinc/74/61/71/451746171.db2.gz IBCKVRNPCOFIJL-UHFFFAOYSA-N 2 2 326.404 1.276 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000638986127 451746351 /nfs/dbraw/zinc/74/63/51/451746351.db2.gz VRVVOKJGQJMVLJ-CYBMUJFWSA-N 3 2 325.416 1.763 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000638988264 451747851 /nfs/dbraw/zinc/74/78/51/451747851.db2.gz CCVBWRTXZYNIKO-JKSUJKDBSA-N 2 2 346.500 1.782 20 0 EDADLP CC(C)Oc1cc[nH+]c(Cn2cc([C@@H]([NH3+])C3CCOCC3)nn2)c1 ZINC000641201707 451779120 /nfs/dbraw/zinc/77/91/20/451779120.db2.gz MPEIQSQDQGRBML-KRWDZBQOSA-N 2 2 331.420 1.935 20 0 EDADLP CC(C)(CNc1cccc(C[N@@H+]2CCNC(=O)C2)c1)[NH+]1CCOCC1 ZINC000639196780 451789742 /nfs/dbraw/zinc/78/97/42/451789742.db2.gz MFUHBKALRLIEPQ-UHFFFAOYSA-N 2 2 346.475 1.141 20 0 EDADLP CC(C)(CNc1cccc(C[N@H+]2CCNC(=O)C2)c1)[NH+]1CCOCC1 ZINC000639196780 451789745 /nfs/dbraw/zinc/78/97/45/451789745.db2.gz MFUHBKALRLIEPQ-UHFFFAOYSA-N 2 2 346.475 1.141 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000641267680 451799366 /nfs/dbraw/zinc/79/93/66/451799366.db2.gz FQBMNPMUXXQZQS-CYBMUJFWSA-N 2 2 326.404 1.194 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000641267680 451799369 /nfs/dbraw/zinc/79/93/69/451799369.db2.gz FQBMNPMUXXQZQS-CYBMUJFWSA-N 2 2 326.404 1.194 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000644525671 451841044 /nfs/dbraw/zinc/84/10/44/451841044.db2.gz UBKPJZUROWKPJC-HXUWFJFHSA-N 3 2 331.504 1.943 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000639325784 451827274 /nfs/dbraw/zinc/82/72/74/451827274.db2.gz BVFXOTTXJADSFP-SOAGJPPSSA-N 2 2 339.487 1.992 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000639325784 451827278 /nfs/dbraw/zinc/82/72/78/451827278.db2.gz BVFXOTTXJADSFP-SOAGJPPSSA-N 2 2 339.487 1.992 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000644525671 451841050 /nfs/dbraw/zinc/84/10/50/451841050.db2.gz UBKPJZUROWKPJC-HXUWFJFHSA-N 3 2 331.504 1.943 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000644513366 451833165 /nfs/dbraw/zinc/83/31/65/451833165.db2.gz VZKGTUCKGQZAEZ-SFHVURJKSA-N 2 2 327.428 1.368 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000644513366 451833169 /nfs/dbraw/zinc/83/31/69/451833169.db2.gz VZKGTUCKGQZAEZ-SFHVURJKSA-N 2 2 327.428 1.368 20 0 EDADLP C[C@@H](C[NH2+]C[C@@H](O)COCc1ccccc1F)C[NH+]1CCOCC1 ZINC000644572136 451869064 /nfs/dbraw/zinc/86/90/64/451869064.db2.gz IWTDOODXJQOGHZ-DOTOQJQBSA-N 2 2 340.439 1.261 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CC(=O)N(C4CC4)C3)c2cc1C ZINC000644583475 451877982 /nfs/dbraw/zinc/87/79/82/451877982.db2.gz FUFCQTBOEOQFMR-HOCLYGCPSA-N 2 2 342.443 1.367 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn2cc[nH+]c12 ZINC000653375319 451887444 /nfs/dbraw/zinc/88/74/44/451887444.db2.gz VWFRTLITWPKVMR-HOTGVXAUSA-N 2 2 343.431 1.706 20 0 EDADLP CN(CCCC[NH+](C)C)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641366761 451899900 /nfs/dbraw/zinc/89/99/00/451899900.db2.gz AZXLFQNXMJMOJJ-UHFFFAOYSA-N 2 2 339.505 1.637 20 0 EDADLP CN(CCCC[NH+](C)C)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641366761 451899901 /nfs/dbraw/zinc/89/99/01/451899901.db2.gz AZXLFQNXMJMOJJ-UHFFFAOYSA-N 2 2 339.505 1.637 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641399331 451937651 /nfs/dbraw/zinc/93/76/51/451937651.db2.gz RHMANZKODLYDSB-CXAGYDPISA-N 2 2 349.500 1.436 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641399331 451937656 /nfs/dbraw/zinc/93/76/56/451937656.db2.gz RHMANZKODLYDSB-CXAGYDPISA-N 2 2 349.500 1.436 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641399331 451937660 /nfs/dbraw/zinc/93/76/60/451937660.db2.gz RHMANZKODLYDSB-CXAGYDPISA-N 2 2 349.500 1.436 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641399331 451937665 /nfs/dbraw/zinc/93/76/65/451937665.db2.gz RHMANZKODLYDSB-CXAGYDPISA-N 2 2 349.500 1.436 20 0 EDADLP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000649285705 451958472 /nfs/dbraw/zinc/95/84/72/451958472.db2.gz OXNWJVIZBTUYQA-ZIAGYGMSSA-N 2 2 330.432 1.011 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000649285867 451959175 /nfs/dbraw/zinc/95/91/75/451959175.db2.gz ZXIVYAGCLSDIJC-UHFFFAOYSA-N 2 2 344.459 1.402 20 0 EDADLP CN1CC[NH+](C[C@@H]2CN(CC[N@H+](C)Cc3ccccc3)CCO2)CC1 ZINC000649296093 451970854 /nfs/dbraw/zinc/97/08/54/451970854.db2.gz CKXWDVBGWXPXBK-HXUWFJFHSA-N 2 2 346.519 1.067 20 0 EDADLP CN1CC[NH+](C[C@@H]2CN(CC[N@@H+](C)Cc3ccccc3)CCO2)CC1 ZINC000649296093 451970857 /nfs/dbraw/zinc/97/08/57/451970857.db2.gz CKXWDVBGWXPXBK-HXUWFJFHSA-N 2 2 346.519 1.067 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[NH+]2Cc3ccccc3C2)C1(C)C ZINC000649306473 451983351 /nfs/dbraw/zinc/98/33/51/451983351.db2.gz UGCAZTVFTZUWMZ-LPHOPBHVSA-N 2 2 331.460 1.651 20 0 EDADLP CC[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000647008863 452002150 /nfs/dbraw/zinc/00/21/50/452002150.db2.gz VWBKETMXORTNEZ-CRAIPNDOSA-N 2 2 331.460 1.718 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000641467533 452002390 /nfs/dbraw/zinc/00/23/90/452002390.db2.gz AWPLRXGKMDDGRS-ZDUSSCGKSA-N 2 2 340.855 1.393 20 0 EDADLP O[C@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC000639660663 452007349 /nfs/dbraw/zinc/00/73/49/452007349.db2.gz IXJMMENTVYLFML-IBGZPJMESA-N 2 2 348.487 1.533 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000653555165 452012843 /nfs/dbraw/zinc/01/28/43/452012843.db2.gz MWUMTJHPCSUYPR-MOPGFXCFSA-N 2 2 339.524 1.802 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000653555165 452012849 /nfs/dbraw/zinc/01/28/49/452012849.db2.gz MWUMTJHPCSUYPR-MOPGFXCFSA-N 2 2 339.524 1.802 20 0 EDADLP c1ccc(-n2nnnc2C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639681621 452018802 /nfs/dbraw/zinc/01/88/02/452018802.db2.gz VZSFRFSNCMXELH-UHFFFAOYSA-N 2 2 335.415 1.770 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)c3cn([C@H]4CC[NH2+]C4)nn3)ccc2n1C ZINC000649343144 452022639 /nfs/dbraw/zinc/02/26/39/452022639.db2.gz IRWRCKIOJALLSA-LBPRGKRZSA-N 2 2 325.376 1.260 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000649351409 452035198 /nfs/dbraw/zinc/03/51/98/452035198.db2.gz VMKFAEOLIKIDOD-BBRMVZONSA-N 2 2 338.883 1.340 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000649357003 452039096 /nfs/dbraw/zinc/03/90/96/452039096.db2.gz SELJKZKFOZYCDT-KRWDZBQOSA-N 2 2 349.438 1.910 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705192 452042863 /nfs/dbraw/zinc/04/28/63/452042863.db2.gz UGHHNFUNBCHZNJ-AWEZNQCLSA-N 2 2 326.404 1.411 20 0 EDADLP CC[N@H+](CCO)CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644875703 452044116 /nfs/dbraw/zinc/04/41/16/452044116.db2.gz LXJXGZVOESBWPX-INIZCTEOSA-N 2 2 330.432 1.362 20 0 EDADLP CC[N@@H+](CCO)CCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644875703 452044122 /nfs/dbraw/zinc/04/41/22/452044122.db2.gz LXJXGZVOESBWPX-INIZCTEOSA-N 2 2 330.432 1.362 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCOCC1 ZINC000647076227 452045768 /nfs/dbraw/zinc/04/57/68/452045768.db2.gz CUYIVUOEIJGZKG-KGLIPLIRSA-N 2 2 333.423 1.237 20 0 EDADLP CC[N@H+](C)C[C@@H](O)CN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000653638687 452054241 /nfs/dbraw/zinc/05/42/41/452054241.db2.gz MJANJKGVGUVVOX-QGZVFWFLSA-N 2 2 328.460 1.851 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)CN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000653638687 452054247 /nfs/dbraw/zinc/05/42/47/452054247.db2.gz MJANJKGVGUVVOX-QGZVFWFLSA-N 2 2 328.460 1.851 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCn2nccc21 ZINC000637764778 452064982 /nfs/dbraw/zinc/06/49/82/452064982.db2.gz FKIALVGUDOGDCR-INIZCTEOSA-N 2 2 348.495 1.385 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCn2nccc21 ZINC000637764778 452064986 /nfs/dbraw/zinc/06/49/86/452064986.db2.gz FKIALVGUDOGDCR-INIZCTEOSA-N 2 2 348.495 1.385 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cccc4c3CC[NH+](C)C4)[C@@H]2C1 ZINC000641543439 452075115 /nfs/dbraw/zinc/07/51/15/452075115.db2.gz UEJNFKPXFQXKBJ-DOTOQJQBSA-N 2 2 349.500 1.389 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cccc4c3CC[NH+](C)C4)[C@@H]2C1 ZINC000641543439 452075122 /nfs/dbraw/zinc/07/51/22/452075122.db2.gz UEJNFKPXFQXKBJ-DOTOQJQBSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1C[C@@H]2CCCN(S(=O)(=O)c3cccc4c3CC[N@H+](C)C4)[C@@H]2C1 ZINC000641543439 452075125 /nfs/dbraw/zinc/07/51/25/452075125.db2.gz UEJNFKPXFQXKBJ-DOTOQJQBSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1C[C@@H]2CCCN(S(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)[C@@H]2C1 ZINC000641543439 452075134 /nfs/dbraw/zinc/07/51/34/452075134.db2.gz UEJNFKPXFQXKBJ-DOTOQJQBSA-N 2 2 349.500 1.389 20 0 EDADLP CN(C(=O)c1ncn(C(C)(C)C)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643230325 452084565 /nfs/dbraw/zinc/08/45/65/452084565.db2.gz NKPQIQRWWRACFG-HNNXBMFYSA-N 2 2 348.495 1.274 20 0 EDADLP CN(C(=O)c1ncn(C(C)(C)C)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643230325 452084570 /nfs/dbraw/zinc/08/45/70/452084570.db2.gz NKPQIQRWWRACFG-HNNXBMFYSA-N 2 2 348.495 1.274 20 0 EDADLP O[C@]1(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOC1 ZINC000649478185 452101625 /nfs/dbraw/zinc/10/16/25/452101625.db2.gz WZVGAWDCDGTGPK-MRXNPFEDSA-N 2 2 326.360 1.164 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000649482856 452104711 /nfs/dbraw/zinc/10/47/11/452104711.db2.gz WYEULGULAVGRQA-KRWDZBQOSA-N 2 2 333.476 1.916 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000649482856 452104719 /nfs/dbraw/zinc/10/47/19/452104719.db2.gz WYEULGULAVGRQA-KRWDZBQOSA-N 2 2 333.476 1.916 20 0 EDADLP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765577 452106758 /nfs/dbraw/zinc/10/67/58/452106758.db2.gz KEZLXAVPIVCCPE-GOSISDBHSA-N 2 2 327.513 1.804 20 0 EDADLP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765577 452106764 /nfs/dbraw/zinc/10/67/64/452106764.db2.gz KEZLXAVPIVCCPE-GOSISDBHSA-N 2 2 327.513 1.804 20 0 EDADLP COc1ncncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000647185822 452111571 /nfs/dbraw/zinc/11/15/71/452111571.db2.gz RQSGCDNSEMVXNF-ZWKOTPCHSA-N 2 2 342.443 1.458 20 0 EDADLP COc1ncncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000647185822 452111579 /nfs/dbraw/zinc/11/15/79/452111579.db2.gz RQSGCDNSEMVXNF-ZWKOTPCHSA-N 2 2 342.443 1.458 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1C[C@@H]1CCCOC1 ZINC000637864536 452121755 /nfs/dbraw/zinc/12/17/55/452121755.db2.gz SZDUQMCYHHAYSE-IRXDYDNUSA-N 2 2 348.491 1.246 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1C[C@@H]1CCCOC1 ZINC000637864536 452121763 /nfs/dbraw/zinc/12/17/63/452121763.db2.gz SZDUQMCYHHAYSE-IRXDYDNUSA-N 2 2 348.491 1.246 20 0 EDADLP CCNC(=O)C[N@H+](CC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637869671 452124132 /nfs/dbraw/zinc/12/41/32/452124132.db2.gz SOEASCOTQKMSSC-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP CCNC(=O)C[N@@H+](CC)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637869671 452124137 /nfs/dbraw/zinc/12/41/37/452124137.db2.gz SOEASCOTQKMSSC-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP COCc1ccccc1/C=C(/C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891026 452148722 /nfs/dbraw/zinc/14/87/22/452148722.db2.gz DFLKTSPMIIDEOF-LGMDPLHJSA-N 2 2 345.487 1.942 20 0 EDADLP COCc1ccccc1/C=C(/C)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891026 452148726 /nfs/dbraw/zinc/14/87/26/452148726.db2.gz DFLKTSPMIIDEOF-LGMDPLHJSA-N 2 2 345.487 1.942 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000651899755 452152980 /nfs/dbraw/zinc/15/29/80/452152980.db2.gz OYLYYFTZCOPDNQ-UHFFFAOYSA-N 2 2 331.420 1.367 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000651899755 452152987 /nfs/dbraw/zinc/15/29/87/452152987.db2.gz OYLYYFTZCOPDNQ-UHFFFAOYSA-N 2 2 331.420 1.367 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCCCO1 ZINC000653874424 452157016 /nfs/dbraw/zinc/15/70/16/452157016.db2.gz GTJSPHVJXWGFPU-MSOLQXFVSA-N 2 2 349.475 1.861 20 0 EDADLP COCC[NH+]1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639840797 452173029 /nfs/dbraw/zinc/17/30/29/452173029.db2.gz QEFKSGZHASKFPW-UHFFFAOYSA-N 2 2 346.475 1.188 20 0 EDADLP CCCN(C(=O)NCC(C)(C)[NH+]1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645146109 452176389 /nfs/dbraw/zinc/17/63/89/452176389.db2.gz DLTBRPUJXRFUBB-INIZCTEOSA-N 2 2 339.528 1.138 20 0 EDADLP Cc1ccccc1NC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685822 452197074 /nfs/dbraw/zinc/19/70/74/452197074.db2.gz NKIRZCFQFVBBCB-UHFFFAOYSA-N 2 2 332.448 1.029 20 0 EDADLP Cc1ccccc1NC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685822 452197082 /nfs/dbraw/zinc/19/70/82/452197082.db2.gz NKIRZCFQFVBBCB-UHFFFAOYSA-N 2 2 332.448 1.029 20 0 EDADLP CC[C@@H](OCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1 ZINC000649685285 452197714 /nfs/dbraw/zinc/19/77/14/452197714.db2.gz VYFMDPLMZMMEIS-GOSISDBHSA-N 2 2 333.476 1.860 20 0 EDADLP CC[C@@H](OCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1 ZINC000649685285 452197718 /nfs/dbraw/zinc/19/77/18/452197718.db2.gz VYFMDPLMZMMEIS-GOSISDBHSA-N 2 2 333.476 1.860 20 0 EDADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000643455480 452232943 /nfs/dbraw/zinc/23/29/43/452232943.db2.gz JYGUAGDYDPFDPV-QRVBRYPASA-N 3 2 338.540 1.293 20 0 EDADLP C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661446293 452246200 /nfs/dbraw/zinc/24/62/00/452246200.db2.gz RTHCRVJRSRACFM-FUHWJXTLSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@@H](CO)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000661446293 452246209 /nfs/dbraw/zinc/24/62/09/452246209.db2.gz RTHCRVJRSRACFM-FUHWJXTLSA-N 2 2 349.475 1.407 20 0 EDADLP CCCn1nccc1C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000657432722 452246353 /nfs/dbraw/zinc/24/63/53/452246353.db2.gz QCAVWGNEHLEHBT-OAHLLOKOSA-N 2 2 330.436 1.307 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)CO ZINC000663545026 452249428 /nfs/dbraw/zinc/24/94/28/452249428.db2.gz FGJYHQRWHBZSDW-OAHLLOKOSA-N 2 2 349.479 1.406 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000665696652 452252992 /nfs/dbraw/zinc/25/29/92/452252992.db2.gz URFSBUUGWQAPGK-ARFHVFGLSA-N 2 2 333.480 1.651 20 0 EDADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641784343 452253719 /nfs/dbraw/zinc/25/37/19/452253719.db2.gz BZGHNHUQAUFYLK-AEFFLSMTSA-N 2 2 347.507 1.184 20 0 EDADLP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000655467471 452260329 /nfs/dbraw/zinc/26/03/29/452260329.db2.gz VYBNMUGGVSXLDI-MJGOQNOKSA-N 2 2 331.435 1.860 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786225 452260525 /nfs/dbraw/zinc/26/05/25/452260525.db2.gz JMPBNROMUCOQEU-WBVHZDCISA-N 2 2 335.496 1.176 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)C1 ZINC000665703738 452265519 /nfs/dbraw/zinc/26/55/19/452265519.db2.gz BWGKKCTZCYEOBA-OWCLPIDISA-N 2 2 333.480 1.604 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665703404 452265576 /nfs/dbraw/zinc/26/55/76/452265576.db2.gz UDEGOTDUHVVPJI-OAHLLOKOSA-N 2 2 325.416 1.992 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665703404 452265586 /nfs/dbraw/zinc/26/55/86/452265586.db2.gz UDEGOTDUHVVPJI-OAHLLOKOSA-N 2 2 325.416 1.992 20 0 EDADLP c1nc2ccccn2c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789851 452269739 /nfs/dbraw/zinc/26/97/39/452269739.db2.gz YBNAPNBTLQEODA-QGZVFWFLSA-N 2 2 343.475 1.221 20 0 EDADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000641803246 452280912 /nfs/dbraw/zinc/28/09/12/452280912.db2.gz RQMDEDRJBJUWIU-IRXDYDNUSA-N 3 2 330.476 1.046 20 0 EDADLP CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](O)C(C)C ZINC000665717566 452281546 /nfs/dbraw/zinc/28/15/46/452281546.db2.gz IAVHDTJXQWGPOM-BHYGNILZSA-N 2 2 340.512 1.250 20 0 EDADLP CC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](O)C(C)C ZINC000665717566 452281555 /nfs/dbraw/zinc/28/15/55/452281555.db2.gz IAVHDTJXQWGPOM-BHYGNILZSA-N 2 2 340.512 1.250 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000639960356 452286528 /nfs/dbraw/zinc/28/65/28/452286528.db2.gz OWZKWVOQKIXHGQ-LJQANCHMSA-N 2 2 347.503 1.890 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000639960356 452286537 /nfs/dbraw/zinc/28/65/37/452286537.db2.gz OWZKWVOQKIXHGQ-LJQANCHMSA-N 2 2 347.503 1.890 20 0 EDADLP CC(C)[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](C)O ZINC000638034516 452288113 /nfs/dbraw/zinc/28/81/13/452288113.db2.gz MBSORDGWEQPKSW-KRWDZBQOSA-N 2 2 336.476 1.989 20 0 EDADLP CC(C)[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H](C)O ZINC000638034516 452288120 /nfs/dbraw/zinc/28/81/20/452288120.db2.gz MBSORDGWEQPKSW-KRWDZBQOSA-N 2 2 336.476 1.989 20 0 EDADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000643526317 452293900 /nfs/dbraw/zinc/29/39/00/452293900.db2.gz ZEMQSQVFIUMUBK-ZIAGYGMSSA-N 2 2 325.478 1.859 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000661507826 452310581 /nfs/dbraw/zinc/31/05/81/452310581.db2.gz LPTMMYIYZGRLHL-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000661507826 452310596 /nfs/dbraw/zinc/31/05/96/452310596.db2.gz LPTMMYIYZGRLHL-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659483591 452343874 /nfs/dbraw/zinc/34/38/74/452343874.db2.gz ARKIOSQOILKHPT-JKSUJKDBSA-N 2 2 331.464 1.619 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000638061458 452355776 /nfs/dbraw/zinc/35/57/76/452355776.db2.gz HFMUQNLNYBEJRL-UHFFFAOYSA-N 2 2 330.388 1.208 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)c[nH+]2)C[C@@H](C)O1 ZINC000638061900 452356224 /nfs/dbraw/zinc/35/62/24/452356224.db2.gz NDVCYNIOSRBIPA-IOASZLSFSA-N 2 2 330.432 1.359 20 0 EDADLP CC(C)(C)n1nnc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000657596577 452365660 /nfs/dbraw/zinc/36/56/60/452365660.db2.gz OLGHNTZSONVRDT-MRXNPFEDSA-N 2 2 344.463 1.285 20 0 EDADLP CC(C)(C)n1nnc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000657596577 452365664 /nfs/dbraw/zinc/36/56/64/452365664.db2.gz OLGHNTZSONVRDT-MRXNPFEDSA-N 2 2 344.463 1.285 20 0 EDADLP CN(CC[NH+]1CCCCC1)CC(O)C[N@H+](C)CCN1CCCCC1 ZINC000649889393 452367036 /nfs/dbraw/zinc/36/70/36/452367036.db2.gz XCHQDPVCLAGFEF-UHFFFAOYSA-N 2 2 340.556 1.183 20 0 EDADLP CN(CC[NH+]1CCCCC1)CC(O)C[N@@H+](C)CCN1CCCCC1 ZINC000649889393 452367043 /nfs/dbraw/zinc/36/70/43/452367043.db2.gz XCHQDPVCLAGFEF-UHFFFAOYSA-N 2 2 340.556 1.183 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000638065445 452367022 /nfs/dbraw/zinc/36/70/22/452367022.db2.gz UEJHKGGOGJFKQA-ZWKOTPCHSA-N 2 2 329.444 1.532 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000657599214 452370811 /nfs/dbraw/zinc/37/08/11/452370811.db2.gz ZYTVRRXUFBWLRO-QRQLOZEOSA-N 2 2 334.460 1.265 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000657599214 452370818 /nfs/dbraw/zinc/37/08/18/452370818.db2.gz ZYTVRRXUFBWLRO-QRQLOZEOSA-N 2 2 334.460 1.265 20 0 EDADLP CC1(C)C[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000657598794 452372088 /nfs/dbraw/zinc/37/20/88/452372088.db2.gz VUEOSEYQQBIZOG-QUCCMNQESA-N 2 2 348.487 1.797 20 0 EDADLP CC1(C)C[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000657598794 452372095 /nfs/dbraw/zinc/37/20/95/452372095.db2.gz VUEOSEYQQBIZOG-QUCCMNQESA-N 2 2 348.487 1.797 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000665798476 452378492 /nfs/dbraw/zinc/37/84/92/452378492.db2.gz HNWXHLCZFPXOQK-UHFFFAOYSA-N 2 2 349.435 1.023 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000665798476 452378500 /nfs/dbraw/zinc/37/85/00/452378500.db2.gz HNWXHLCZFPXOQK-UHFFFAOYSA-N 2 2 349.435 1.023 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659523173 452387620 /nfs/dbraw/zinc/38/76/20/452387620.db2.gz QLDXRTYPRVYQDH-UHFFFAOYSA-N 2 2 326.485 1.258 20 0 EDADLP COC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCC[NH2+]1 ZINC000638080408 452396797 /nfs/dbraw/zinc/39/67/97/452396797.db2.gz VDTBIABHUGTRFP-LJQANCHMSA-N 2 2 347.459 1.616 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000640061423 452402534 /nfs/dbraw/zinc/40/25/34/452402534.db2.gz DFQMAJFVHCRVKS-OLZOCXBDSA-N 2 2 346.431 1.737 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000659555707 452411856 /nfs/dbraw/zinc/41/18/56/452411856.db2.gz OJKUEJWZCPMBEH-IDCNUPLLSA-N 2 2 346.475 1.407 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000659555707 452411866 /nfs/dbraw/zinc/41/18/66/452411866.db2.gz OJKUEJWZCPMBEH-IDCNUPLLSA-N 2 2 346.475 1.407 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657650784 452419589 /nfs/dbraw/zinc/41/95/89/452419589.db2.gz WABPJXMWULSOME-CQSZACIVSA-N 2 2 329.404 1.182 20 0 EDADLP [NH3+]CC1(CCNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000652244099 452428895 /nfs/dbraw/zinc/42/88/95/452428895.db2.gz SYVFVUJGCNMODC-UHFFFAOYSA-N 2 2 346.475 1.522 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2[nH+]1 ZINC000657675804 452436926 /nfs/dbraw/zinc/43/69/26/452436926.db2.gz FLJGOYCQZZEWEI-STQMWFEESA-N 2 2 329.404 1.180 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2[nH+]1 ZINC000657675804 452436935 /nfs/dbraw/zinc/43/69/35/452436935.db2.gz FLJGOYCQZZEWEI-STQMWFEESA-N 2 2 329.404 1.180 20 0 EDADLP C[C@H]1C[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)C1O ZINC000661628237 452446261 /nfs/dbraw/zinc/44/62/61/452446261.db2.gz CVFXOUJHFYEEAC-HOTGVXAUSA-N 2 2 346.475 1.069 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@H]21 ZINC000663720252 452457818 /nfs/dbraw/zinc/45/78/18/452457818.db2.gz HLJZEHVOTGBVNL-JKSUJKDBSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@H]21 ZINC000663720252 452457824 /nfs/dbraw/zinc/45/78/24/452457824.db2.gz HLJZEHVOTGBVNL-JKSUJKDBSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@H]21 ZINC000663720252 452457832 /nfs/dbraw/zinc/45/78/32/452457832.db2.gz HLJZEHVOTGBVNL-JKSUJKDBSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@H]21 ZINC000663720252 452457838 /nfs/dbraw/zinc/45/78/38/452457838.db2.gz HLJZEHVOTGBVNL-JKSUJKDBSA-N 2 2 345.491 1.748 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000659627219 452484074 /nfs/dbraw/zinc/48/40/74/452484074.db2.gz SRLOOHMDNMERFA-QGZVFWFLSA-N 2 2 347.507 1.229 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000659627219 452484085 /nfs/dbraw/zinc/48/40/85/452484085.db2.gz SRLOOHMDNMERFA-QGZVFWFLSA-N 2 2 347.507 1.229 20 0 EDADLP Cc1cc(C)n2c(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cnc2n1 ZINC000657751037 452499152 /nfs/dbraw/zinc/49/91/52/452499152.db2.gz NKAXKLFPUVZZOI-MRXNPFEDSA-N 2 2 329.448 1.689 20 0 EDADLP O=C(c1ccccn1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652338694 452508645 /nfs/dbraw/zinc/50/86/45/452508645.db2.gz PUEIIGQDGFQNPD-UHFFFAOYSA-N 2 2 336.439 1.685 20 0 EDADLP C[C@@]12COC[C@H]1C[N@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000661706646 452508801 /nfs/dbraw/zinc/50/88/01/452508801.db2.gz OPZRHNZCIUBTMW-VQIMIIECSA-N 2 2 344.459 1.089 20 0 EDADLP C[C@@]12COC[C@H]1C[N@@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000661706646 452508815 /nfs/dbraw/zinc/50/88/15/452508815.db2.gz OPZRHNZCIUBTMW-VQIMIIECSA-N 2 2 344.459 1.089 20 0 EDADLP Cc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)c(Br)c(C)[nH+]1 ZINC000663796404 452526341 /nfs/dbraw/zinc/52/63/41/452526341.db2.gz FBRIHNWKRAIWLM-NSHDSACASA-N 2 2 327.226 1.377 20 0 EDADLP Cc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)c(Br)c(C)[nH+]1 ZINC000663796404 452526345 /nfs/dbraw/zinc/52/63/45/452526345.db2.gz FBRIHNWKRAIWLM-NSHDSACASA-N 2 2 327.226 1.377 20 0 EDADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351411 452529781 /nfs/dbraw/zinc/52/97/81/452529781.db2.gz XDPBSZYXRIVWLF-NJSLBKSFSA-N 2 2 342.443 1.421 20 0 EDADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351411 452529785 /nfs/dbraw/zinc/52/97/85/452529785.db2.gz XDPBSZYXRIVWLF-NJSLBKSFSA-N 2 2 342.443 1.421 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357878 452538238 /nfs/dbraw/zinc/53/82/38/452538238.db2.gz KIHBXSWGBMNRCS-BURFUSLBSA-N 2 2 333.476 1.590 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357878 452538243 /nfs/dbraw/zinc/53/82/43/452538243.db2.gz KIHBXSWGBMNRCS-BURFUSLBSA-N 2 2 333.476 1.590 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCN1c1ccccc1F ZINC000655729371 452540909 /nfs/dbraw/zinc/54/09/09/452540909.db2.gz FXOGYYOFSRAQOD-NVXWUHKLSA-N 2 2 347.434 1.774 20 0 EDADLP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000655735295 452549199 /nfs/dbraw/zinc/54/91/99/452549199.db2.gz GHYWHKYMIKNELU-SJORKVTESA-N 2 2 332.444 1.842 20 0 EDADLP C[C@H](Cn1cncn1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000657825563 452552415 /nfs/dbraw/zinc/55/24/15/452552415.db2.gz ADLZZGJOBCXPSJ-QGZVFWFLSA-N 2 2 328.464 1.469 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC[C@@H]3CCOC3)C2)CC1 ZINC000652370979 452559012 /nfs/dbraw/zinc/55/90/12/452559012.db2.gz ZGYMQYHWVPTNLW-HZPDHXFCSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC[C@@H]3CCOC3)C2)CC1 ZINC000652370979 452559023 /nfs/dbraw/zinc/55/90/23/452559023.db2.gz ZGYMQYHWVPTNLW-HZPDHXFCSA-N 2 2 338.496 1.271 20 0 EDADLP OCCN1CCCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772487 452570186 /nfs/dbraw/zinc/57/01/86/452570186.db2.gz XEBZFSARIPKQDR-ZWKOTPCHSA-N 2 2 325.497 1.066 20 0 EDADLP Cc1cnc(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)c1 ZINC000654508508 452582894 /nfs/dbraw/zinc/58/28/94/452582894.db2.gz HCRGHZSHCPGSNK-UHFFFAOYSA-N 2 2 347.507 1.566 20 0 EDADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)CCO1 ZINC000647861422 452594660 /nfs/dbraw/zinc/59/46/60/452594660.db2.gz AGSXUZPEWXJDLZ-IUODEOHRSA-N 2 2 325.840 1.394 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900744 452640741 /nfs/dbraw/zinc/64/07/41/452640741.db2.gz FWGCRKVXHRJANZ-MJGOQNOKSA-N 2 2 345.487 1.913 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900744 452640748 /nfs/dbraw/zinc/64/07/48/452640748.db2.gz FWGCRKVXHRJANZ-MJGOQNOKSA-N 2 2 345.487 1.913 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000647901910 452642393 /nfs/dbraw/zinc/64/23/93/452642393.db2.gz XGQUPPLKWJUGAX-OKZBNKHCSA-N 2 2 343.471 1.570 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000647901910 452642405 /nfs/dbraw/zinc/64/24/05/452642405.db2.gz XGQUPPLKWJUGAX-OKZBNKHCSA-N 2 2 343.471 1.570 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCOc2c(C)cccc2C)CC[C@@H]1[NH3+] ZINC000647936446 452676901 /nfs/dbraw/zinc/67/69/01/452676901.db2.gz DYPXGABWEOJGEW-IRXDYDNUSA-N 2 2 333.476 1.858 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCOc2c(C)cccc2C)CC[C@@H]1[NH3+] ZINC000647936446 452676909 /nfs/dbraw/zinc/67/69/09/452676909.db2.gz DYPXGABWEOJGEW-IRXDYDNUSA-N 2 2 333.476 1.858 20 0 EDADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000658106271 452727960 /nfs/dbraw/zinc/72/79/60/452727960.db2.gz AEYWCXMJUNFXPI-KRWDZBQOSA-N 3 2 333.524 1.912 20 0 EDADLP CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H](C)[NH3+] ZINC000645737292 452736858 /nfs/dbraw/zinc/73/68/58/452736858.db2.gz XNNVTWCCPOYWJV-QAPCUYQASA-N 2 2 332.492 1.992 20 0 EDADLP C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658143995 452750134 /nfs/dbraw/zinc/75/01/34/452750134.db2.gz FVLWMUWCQDAHQQ-CRAIPNDOSA-N 2 2 331.416 1.691 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664077653 452771635 /nfs/dbraw/zinc/77/16/35/452771635.db2.gz SMRJDMTUFCKOFD-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000664077653 452771615 /nfs/dbraw/zinc/77/16/15/452771615.db2.gz SMRJDMTUFCKOFD-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000664077653 452771621 /nfs/dbraw/zinc/77/16/21/452771621.db2.gz SMRJDMTUFCKOFD-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664077653 452771629 /nfs/dbraw/zinc/77/16/29/452771629.db2.gz SMRJDMTUFCKOFD-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CSc1cccnc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000650446036 452775183 /nfs/dbraw/zinc/77/51/83/452775183.db2.gz GSHALFGOMHUBMF-UHFFFAOYSA-N 2 2 337.493 1.951 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030456 452783857 /nfs/dbraw/zinc/78/38/57/452783857.db2.gz FMCKXLZCCOHUPW-BRWVUGGUSA-N 2 2 344.459 1.087 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030456 452783869 /nfs/dbraw/zinc/78/38/69/452783869.db2.gz FMCKXLZCCOHUPW-BRWVUGGUSA-N 2 2 344.459 1.087 20 0 EDADLP C1=CCC(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000659952095 452847574 /nfs/dbraw/zinc/84/75/74/452847574.db2.gz PQAUXVQAYPTOLH-UHFFFAOYSA-N 2 2 329.448 1.401 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cn1 ZINC000648152825 452863940 /nfs/dbraw/zinc/86/39/40/452863940.db2.gz DCSOMNSRUZIHAM-ZACQAIPSSA-N 2 2 331.464 1.078 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cn1 ZINC000648152825 452863944 /nfs/dbraw/zinc/86/39/44/452863944.db2.gz DCSOMNSRUZIHAM-ZACQAIPSSA-N 2 2 331.464 1.078 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@]1(C)CO ZINC000662133612 452868602 /nfs/dbraw/zinc/86/86/02/452868602.db2.gz FOMKILQQXCIRRK-VQIMIIECSA-N 2 2 346.475 1.071 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@]1(C)CO ZINC000662133612 452868611 /nfs/dbraw/zinc/86/86/11/452868611.db2.gz FOMKILQQXCIRRK-VQIMIIECSA-N 2 2 346.475 1.071 20 0 EDADLP CC(C)c1nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000664196755 452869155 /nfs/dbraw/zinc/86/91/55/452869155.db2.gz NMYILUCQOQHTNI-AWEZNQCLSA-N 3 2 337.516 1.745 20 0 EDADLP CC(C)c1nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000664196755 452869163 /nfs/dbraw/zinc/86/91/63/452869163.db2.gz NMYILUCQOQHTNI-AWEZNQCLSA-N 3 2 337.516 1.745 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162025 452871765 /nfs/dbraw/zinc/87/17/65/452871765.db2.gz CTYVKWADHNFFNH-GXZBSRFJSA-N 2 2 337.826 1.806 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162025 452871774 /nfs/dbraw/zinc/87/17/74/452871774.db2.gz CTYVKWADHNFFNH-GXZBSRFJSA-N 2 2 337.826 1.806 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H]1CC[N@H+](C)C1 ZINC000658361049 452871733 /nfs/dbraw/zinc/87/17/33/452871733.db2.gz TZLSYTAZVKGNKD-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H]1CC[N@@H+](C)C1 ZINC000658361049 452871740 /nfs/dbraw/zinc/87/17/40/452871740.db2.gz TZLSYTAZVKGNKD-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000643983400 452894234 /nfs/dbraw/zinc/89/42/34/452894234.db2.gz ITWSPAWMVFSYQN-MJGOQNOKSA-N 2 2 345.487 1.265 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000643983400 452894239 /nfs/dbraw/zinc/89/42/39/452894239.db2.gz ITWSPAWMVFSYQN-MJGOQNOKSA-N 2 2 345.487 1.265 20 0 EDADLP O[C@H](COc1ccccc1F)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662161989 452902384 /nfs/dbraw/zinc/90/23/84/452902384.db2.gz YEARNIRRHZCUTG-CVEARBPZSA-N 2 2 338.423 1.096 20 0 EDADLP O[C@H](COc1ccccc1F)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662161989 452902394 /nfs/dbraw/zinc/90/23/94/452902394.db2.gz YEARNIRRHZCUTG-CVEARBPZSA-N 2 2 338.423 1.096 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2F)CC1 ZINC000662162805 452903944 /nfs/dbraw/zinc/90/39/44/452903944.db2.gz RXAMFWILWVWGEM-BLLLJJGKSA-N 2 2 341.402 1.140 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc4oc(=O)[nH]c43)C2)CC1 ZINC000654775598 452907668 /nfs/dbraw/zinc/90/76/68/452907668.db2.gz QNRRUWMQOPKSLI-LBPRGKRZSA-N 2 2 344.415 1.432 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc4oc(=O)[nH]c43)C2)CC1 ZINC000654775598 452907679 /nfs/dbraw/zinc/90/76/79/452907679.db2.gz QNRRUWMQOPKSLI-LBPRGKRZSA-N 2 2 344.415 1.432 20 0 EDADLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)COCC[NH3+])c1 ZINC000645968694 452953692 /nfs/dbraw/zinc/95/36/92/452953692.db2.gz NSKCJPIPUANAIQ-UHFFFAOYSA-N 2 2 334.445 1.689 20 0 EDADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)COCC[NH3+])c1 ZINC000645968694 452953700 /nfs/dbraw/zinc/95/37/00/452953700.db2.gz NSKCJPIPUANAIQ-UHFFFAOYSA-N 2 2 334.445 1.689 20 0 EDADLP O=C(c1ccc(F)cc1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249320 452972535 /nfs/dbraw/zinc/97/25/35/452972535.db2.gz SXFMXCHXMJHOSQ-MRXNPFEDSA-N 2 2 333.407 1.105 20 0 EDADLP Cc1ccccc1CC(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256477 452985103 /nfs/dbraw/zinc/98/51/03/452985103.db2.gz IEBPKCOSWHSWBY-GOSISDBHSA-N 2 2 343.471 1.203 20 0 EDADLP COc1cc(OC)cc(N2CCC[N@H+](C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000662262315 452993311 /nfs/dbraw/zinc/99/33/11/452993311.db2.gz FKEFAAARLUFPHJ-GOSISDBHSA-N 2 2 335.448 1.204 20 0 EDADLP COc1cc(OC)cc(N2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000662262315 452993321 /nfs/dbraw/zinc/99/33/21/452993321.db2.gz FKEFAAARLUFPHJ-GOSISDBHSA-N 2 2 335.448 1.204 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656278173 453004622 /nfs/dbraw/zinc/00/46/22/453004622.db2.gz PPLFDAGYWGSHKX-SJORKVTESA-N 2 2 327.428 1.889 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656278173 453004630 /nfs/dbraw/zinc/00/46/30/453004630.db2.gz PPLFDAGYWGSHKX-SJORKVTESA-N 2 2 327.428 1.889 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000654901585 453022282 /nfs/dbraw/zinc/02/22/82/453022282.db2.gz GKGUFOHNEXWNQH-UHFFFAOYSA-N 2 2 343.431 1.606 20 0 EDADLP Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)CN1CC[NH+](C)CC1 ZINC000652871700 453030405 /nfs/dbraw/zinc/03/04/05/453030405.db2.gz RLKFFLCRRZMHBQ-KRWDZBQOSA-N 2 2 341.459 1.068 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)C[N@@H+]1C1CC1 ZINC000664366590 453037172 /nfs/dbraw/zinc/03/71/72/453037172.db2.gz AJPCKYGOHGPSGY-VNHYZAJKSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)C[N@H+]1C1CC1 ZINC000664366590 453037179 /nfs/dbraw/zinc/03/71/79/453037179.db2.gz AJPCKYGOHGPSGY-VNHYZAJKSA-N 2 2 349.479 1.404 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3nnn(CC4CC[NH2+]CC4)n3)C2)cc1 ZINC000646066520 453079486 /nfs/dbraw/zinc/07/94/86/453079486.db2.gz XZXFPUWZCIQIJV-QGZVFWFLSA-N 2 2 342.447 1.246 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3nnn(CC4CC[NH2+]CC4)n3)C2)cc1 ZINC000646066520 453079493 /nfs/dbraw/zinc/07/94/93/453079493.db2.gz XZXFPUWZCIQIJV-QGZVFWFLSA-N 2 2 342.447 1.246 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000662372506 453081716 /nfs/dbraw/zinc/08/17/16/453081716.db2.gz UHJUKEUTZQBWPZ-HOTGVXAUSA-N 2 2 346.431 1.641 20 0 EDADLP CC[NH2+]CCCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000666734195 453104061 /nfs/dbraw/zinc/10/40/61/453104061.db2.gz CBPUDJONWWNZRY-UHFFFAOYSA-N 2 2 347.463 1.195 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCc3ccccc3NC1=O)CCO2 ZINC000646106142 453109616 /nfs/dbraw/zinc/10/96/16/453109616.db2.gz PWKPLZKRLXTINO-QGZVFWFLSA-N 2 2 329.444 1.737 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCc3ccccc3NC1=O)CCO2 ZINC000646106142 453109622 /nfs/dbraw/zinc/10/96/22/453109622.db2.gz PWKPLZKRLXTINO-QGZVFWFLSA-N 2 2 329.444 1.737 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000660216313 453137763 /nfs/dbraw/zinc/13/77/63/453137763.db2.gz RDXBPVRWSSZZMN-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000660216313 453137770 /nfs/dbraw/zinc/13/77/70/453137770.db2.gz RDXBPVRWSSZZMN-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000664505493 453148822 /nfs/dbraw/zinc/14/88/22/453148822.db2.gz QPHPBXQILJADGM-UHFFFAOYSA-N 3 2 341.544 1.290 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000664505493 453148818 /nfs/dbraw/zinc/14/88/18/453148818.db2.gz QPHPBXQILJADGM-UHFFFAOYSA-N 3 2 341.544 1.290 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000664520913 453161457 /nfs/dbraw/zinc/16/14/57/453161457.db2.gz JRFOIMPKIWKZJA-XHSDSOJGSA-N 2 2 338.496 1.127 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000664520913 453161465 /nfs/dbraw/zinc/16/14/65/453161465.db2.gz JRFOIMPKIWKZJA-XHSDSOJGSA-N 2 2 338.496 1.127 20 0 EDADLP C[NH+]1CCN(CCn2cc(C[NH2+][C@@H]3CCc4ccccc43)nn2)CC1 ZINC000656437788 453181273 /nfs/dbraw/zinc/18/12/73/453181273.db2.gz JHISYWCYAXTKPP-LJQANCHMSA-N 2 2 340.475 1.303 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCc3ccc(O)cc32)CC1 ZINC000664540267 453182610 /nfs/dbraw/zinc/18/26/10/453182610.db2.gz WNDHQIGGMGTQIG-GOSISDBHSA-N 2 2 346.475 1.705 20 0 EDADLP CC(C)C[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664594636 453229715 /nfs/dbraw/zinc/22/97/15/453229715.db2.gz GDAZWIAMQGOGNH-IAGOWNOFSA-N 2 2 342.528 1.763 20 0 EDADLP CC(C)C[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664594636 453229720 /nfs/dbraw/zinc/22/97/20/453229720.db2.gz GDAZWIAMQGOGNH-IAGOWNOFSA-N 2 2 342.528 1.763 20 0 EDADLP CCN(CC)C(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653067007 453244515 /nfs/dbraw/zinc/24/45/15/453244515.db2.gz LVBXXYMVQFYGGG-MRXNPFEDSA-N 2 2 334.464 1.064 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000653073756 453253309 /nfs/dbraw/zinc/25/33/09/453253309.db2.gz LTPIXEJZRJTZEW-ZDUSSCGKSA-N 2 2 333.436 1.532 20 0 EDADLP CC1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)CC1 ZINC000653076865 453254118 /nfs/dbraw/zinc/25/41/18/453254118.db2.gz HEDGTCNEUVERTM-QGZVFWFLSA-N 2 2 346.475 1.776 20 0 EDADLP Cc1ccc(C(=O)C2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653076029 453254795 /nfs/dbraw/zinc/25/47/95/453254795.db2.gz GKDLOJGDZZEMAV-QGZVFWFLSA-N 2 2 331.460 1.695 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000653077230 453257172 /nfs/dbraw/zinc/25/71/72/453257172.db2.gz UHRQSGUQLXUITO-YOEHRIQHSA-N 2 2 333.432 1.304 20 0 EDADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000653080505 453260527 /nfs/dbraw/zinc/26/05/27/453260527.db2.gz JUNCTQRNGGPDFO-CJNGLKHVSA-N 2 2 332.448 1.270 20 0 EDADLP Cn1ccnc1Sc1ccccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653081492 453261748 /nfs/dbraw/zinc/26/17/48/453261748.db2.gz QOXUWGYLGFOACS-GFCCVEGCSA-N 2 2 333.461 1.789 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000653082661 453264473 /nfs/dbraw/zinc/26/44/73/453264473.db2.gz ACASFXZUPGJWRO-AWEZNQCLSA-N 2 2 328.420 1.567 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000653084919 453266143 /nfs/dbraw/zinc/26/61/43/453266143.db2.gz XPCRWXBCXNVWHM-LSDHHAIUSA-N 2 2 333.432 1.400 20 0 EDADLP COc1ccccc1SC[C@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653086805 453268213 /nfs/dbraw/zinc/26/82/13/453268213.db2.gz BZLZXURTGQTJRA-KGLIPLIRSA-N 2 2 339.505 1.819 20 0 EDADLP O=C(COc1ccccc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)N1CCCC1 ZINC000666946933 453270977 /nfs/dbraw/zinc/27/09/77/453270977.db2.gz TXMTUGFMOZEFOB-HOTGVXAUSA-N 2 2 335.423 1.477 20 0 EDADLP Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653093856 453276528 /nfs/dbraw/zinc/27/65/28/453276528.db2.gz OPTAOZKTQHHCMP-BZSNNMDCSA-N 2 2 333.476 1.858 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(OC[C@H]2CCCO2)c1 ZINC000653099115 453281763 /nfs/dbraw/zinc/28/17/63/453281763.db2.gz FSSHYLWFMWXQOB-SJORKVTESA-N 2 2 349.475 1.448 20 0 EDADLP COc1ccc(OC(F)F)c(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653102193 453284528 /nfs/dbraw/zinc/28/45/28/453284528.db2.gz QNNQIABLNVBOSQ-LBPRGKRZSA-N 2 2 331.363 1.192 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653111131 453297672 /nfs/dbraw/zinc/29/76/72/453297672.db2.gz FMHRSEHFJYLELV-ROUUACIJSA-N 3 2 332.492 1.388 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653112854 453300415 /nfs/dbraw/zinc/30/04/15/453300415.db2.gz LEGGVYNAKNUQKL-MSOLQXFVSA-N 3 2 332.492 1.294 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653112854 453300421 /nfs/dbraw/zinc/30/04/21/453300421.db2.gz LEGGVYNAKNUQKL-MSOLQXFVSA-N 3 2 332.492 1.294 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646338324 453329471 /nfs/dbraw/zinc/32/94/71/453329471.db2.gz ITYFATNWWSAJQA-WMZOPIPTSA-N 2 2 329.444 1.343 20 0 EDADLP CN1CC(=O)N(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000660481119 453337549 /nfs/dbraw/zinc/33/75/49/453337549.db2.gz IZTIEVSXTSYOBI-AWEZNQCLSA-N 2 2 345.447 1.293 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150671 453338631 /nfs/dbraw/zinc/33/86/31/453338631.db2.gz JZHLBPQFEAJLOL-CABCVRRESA-N 3 2 326.872 1.338 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000653167951 453360165 /nfs/dbraw/zinc/36/01/65/453360165.db2.gz JXLKXHQQLOGPFY-ZFWWWQNUSA-N 2 2 325.478 1.535 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000656697161 453373853 /nfs/dbraw/zinc/37/38/53/453373853.db2.gz NTTNNOFPXISPTR-SFHVURJKSA-N 2 2 339.524 1.848 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000656697161 453373863 /nfs/dbraw/zinc/37/38/63/453373863.db2.gz NTTNNOFPXISPTR-SFHVURJKSA-N 2 2 339.524 1.848 20 0 EDADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000662665543 453379738 /nfs/dbraw/zinc/37/97/38/453379738.db2.gz GBXTXXCQXKHGDK-JKSUJKDBSA-N 2 2 337.851 1.348 20 0 EDADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000662665540 453380778 /nfs/dbraw/zinc/38/07/78/453380778.db2.gz GBXTXXCQXKHGDK-CVEARBPZSA-N 2 2 337.851 1.348 20 0 EDADLP CCn1cc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000656707138 453383803 /nfs/dbraw/zinc/38/38/03/453383803.db2.gz LKBALVNZIYKQEV-OAHLLOKOSA-N 2 2 328.420 1.415 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H](C)CO1 ZINC000664765791 453389332 /nfs/dbraw/zinc/38/93/32/453389332.db2.gz LDUCLAJZVQSADZ-GJZGRUSLSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H](C)CO1 ZINC000664765791 453389342 /nfs/dbraw/zinc/38/93/42/453389342.db2.gz LDUCLAJZVQSADZ-GJZGRUSLSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)n1 ZINC000653202964 453398602 /nfs/dbraw/zinc/39/86/02/453398602.db2.gz WNDGKUZOHRGQJW-SNPRPXQTSA-N 2 2 349.479 1.253 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc4[nH]ccc4c3)C2)CC1 ZINC000648937851 453418088 /nfs/dbraw/zinc/41/80/88/453418088.db2.gz RHOICVQKBFYGFD-HNNXBMFYSA-N 2 2 327.432 1.413 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc4[nH]ccc4c3)C2)CC1 ZINC000648937851 453418091 /nfs/dbraw/zinc/41/80/91/453418091.db2.gz RHOICVQKBFYGFD-HNNXBMFYSA-N 2 2 327.432 1.413 20 0 EDADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)C[NH+]1CCOCC1 ZINC000662702314 453423504 /nfs/dbraw/zinc/42/35/04/453423504.db2.gz YJVNTLPONJONHG-XHDPSFHLSA-N 2 2 327.375 1.049 20 0 EDADLP C[NH+](C)C1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000667133569 453426321 /nfs/dbraw/zinc/42/63/21/453426321.db2.gz BCCHTTFTTRULIF-UHFFFAOYSA-N 2 2 337.386 1.194 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)on1 ZINC000662731882 453458075 /nfs/dbraw/zinc/45/80/75/453458075.db2.gz KASZYMQSVBRCIH-OLZOCXBDSA-N 2 2 336.436 1.242 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000664915028 453479419 /nfs/dbraw/zinc/47/94/19/453479419.db2.gz DJERVBZNCSMWKA-XHSDSOJGSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000664915028 453479427 /nfs/dbraw/zinc/47/94/27/453479427.db2.gz DJERVBZNCSMWKA-XHSDSOJGSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664915028 453479436 /nfs/dbraw/zinc/47/94/36/453479436.db2.gz DJERVBZNCSMWKA-XHSDSOJGSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664915028 453479445 /nfs/dbraw/zinc/47/94/45/453479445.db2.gz DJERVBZNCSMWKA-XHSDSOJGSA-N 2 2 328.501 1.515 20 0 EDADLP Cc1cccc2c1OC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2 ZINC000664932970 453497775 /nfs/dbraw/zinc/49/77/75/453497775.db2.gz DLEJYYYHXBQJFN-QGZVFWFLSA-N 2 2 348.491 1.481 20 0 EDADLP Cc1cccc2c1OC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C2 ZINC000664932970 453497780 /nfs/dbraw/zinc/49/77/80/453497780.db2.gz DLEJYYYHXBQJFN-QGZVFWFLSA-N 2 2 348.491 1.481 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662797252 453532484 /nfs/dbraw/zinc/53/24/84/453532484.db2.gz IDQKKADQHSACKB-KGLIPLIRSA-N 2 2 341.814 1.065 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)C2(O)C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662797252 453532488 /nfs/dbraw/zinc/53/24/88/453532488.db2.gz IDQKKADQHSACKB-KGLIPLIRSA-N 2 2 341.814 1.065 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCCC[NH+](C)C1CC1 ZINC000665080502 453568798 /nfs/dbraw/zinc/56/87/98/453568798.db2.gz YVQXTEKVBCSCDF-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCCC[NH+](C)C1CC1 ZINC000665080502 453568802 /nfs/dbraw/zinc/56/88/02/453568802.db2.gz YVQXTEKVBCSCDF-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000665080502 453568807 /nfs/dbraw/zinc/56/88/07/453568807.db2.gz YVQXTEKVBCSCDF-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000665080502 453568809 /nfs/dbraw/zinc/56/88/09/453568809.db2.gz YVQXTEKVBCSCDF-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662849032 453569059 /nfs/dbraw/zinc/56/90/59/453569059.db2.gz DZNJRWZCHFCEPF-ZIFCJYIRSA-N 2 2 331.460 1.616 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662849032 453569061 /nfs/dbraw/zinc/56/90/61/453569061.db2.gz DZNJRWZCHFCEPF-ZIFCJYIRSA-N 2 2 331.460 1.616 20 0 EDADLP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659022360 453585467 /nfs/dbraw/zinc/58/54/67/453585467.db2.gz OUJBCWUJDKECOX-AWEZNQCLSA-N 2 2 348.422 1.410 20 0 EDADLP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900169 453593810 /nfs/dbraw/zinc/59/38/10/453593810.db2.gz JRAATRFBDDDIBD-QGZVFWFLSA-N 3 2 342.487 1.530 20 0 EDADLP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900169 453593812 /nfs/dbraw/zinc/59/38/12/453593812.db2.gz JRAATRFBDDDIBD-QGZVFWFLSA-N 3 2 342.487 1.530 20 0 EDADLP C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662907568 453597757 /nfs/dbraw/zinc/59/77/57/453597757.db2.gz RREOXTRKOUIGLC-WQVCFCJDSA-N 2 2 339.867 1.907 20 0 EDADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662912292 453599441 /nfs/dbraw/zinc/59/94/41/453599441.db2.gz XVBZWJVZFTUKRZ-ROUUACIJSA-N 2 2 337.508 1.855 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3n[nH]c(=O)o3)c2cc1C ZINC000660850714 453608255 /nfs/dbraw/zinc/60/82/55/453608255.db2.gz RPXJWRNLDIDTRN-GFCCVEGCSA-N 2 2 331.376 1.235 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3n[nH]c(=O)o3)c2cc1C ZINC000660850714 453608258 /nfs/dbraw/zinc/60/82/58/453608258.db2.gz RPXJWRNLDIDTRN-GFCCVEGCSA-N 2 2 331.376 1.235 20 0 EDADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233559 453617299 /nfs/dbraw/zinc/61/72/99/453617299.db2.gz KSBFECPDYJMNOB-OALUTQOASA-N 3 2 337.508 1.234 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCCC2)CC[N@@H+]1C ZINC000660858963 453617784 /nfs/dbraw/zinc/61/77/84/453617784.db2.gz UAVXNCIVMXRLMC-HOCLYGCPSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCCC2)CC[N@H+]1C ZINC000660858963 453617788 /nfs/dbraw/zinc/61/77/88/453617788.db2.gz UAVXNCIVMXRLMC-HOCLYGCPSA-N 2 2 331.464 1.964 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)CC2=O)cc1 ZINC000665240068 453619863 /nfs/dbraw/zinc/61/98/63/453619863.db2.gz CBFBFDTWILFPJI-ZNMIVQPWSA-N 2 2 333.432 1.157 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240854 453620610 /nfs/dbraw/zinc/62/06/10/453620610.db2.gz ULJGFERAHQFCSK-AYOQOUSVSA-N 2 2 333.476 1.110 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000665240854 453620616 /nfs/dbraw/zinc/62/06/16/453620616.db2.gz ULJGFERAHQFCSK-AYOQOUSVSA-N 2 2 333.476 1.110 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000662967308 453628774 /nfs/dbraw/zinc/62/87/74/453628774.db2.gz ZOGFOHQHGBJSHR-CYBMUJFWSA-N 2 2 329.404 1.250 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000665311246 453645788 /nfs/dbraw/zinc/64/57/88/453645788.db2.gz JBJPPSDUMMKOEV-UHFFFAOYSA-N 2 2 344.463 1.877 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000665311246 453645792 /nfs/dbraw/zinc/64/57/92/453645792.db2.gz JBJPPSDUMMKOEV-UHFFFAOYSA-N 2 2 344.463 1.877 20 0 EDADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1F ZINC000657072223 453662022 /nfs/dbraw/zinc/66/20/22/453662022.db2.gz XRFUZXWTVHGDGY-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000657072223 453662023 /nfs/dbraw/zinc/66/20/23/453662023.db2.gz XRFUZXWTVHGDGY-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP C[C@@H](CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)[NH+](C)C ZINC000657093059 453676076 /nfs/dbraw/zinc/67/60/76/453676076.db2.gz WFRXPLNCQCGHBP-AWEZNQCLSA-N 2 2 336.461 1.550 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C[NH2+]C(C)C)CC2)cc(OC)c1 ZINC000659287460 453703247 /nfs/dbraw/zinc/70/32/47/453703247.db2.gz HQIPTXLALCCUDA-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661204638 453757284 /nfs/dbraw/zinc/75/72/84/453757284.db2.gz KTHCIGVRAONJEN-HOTGVXAUSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661204638 453757285 /nfs/dbraw/zinc/75/72/85/453757285.db2.gz KTHCIGVRAONJEN-HOTGVXAUSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661204638 453757287 /nfs/dbraw/zinc/75/72/87/453757287.db2.gz KTHCIGVRAONJEN-HOTGVXAUSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661204638 453757289 /nfs/dbraw/zinc/75/72/89/453757289.db2.gz KTHCIGVRAONJEN-HOTGVXAUSA-N 2 2 339.443 1.841 20 0 EDADLP c1c(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)nn2c1CCC2 ZINC000657292441 453757931 /nfs/dbraw/zinc/75/79/31/453757931.db2.gz KTLLQCKYTWXGMC-UHFFFAOYSA-N 2 2 339.487 1.737 20 0 EDADLP CC(=O)Nc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C ZINC000665592227 453759036 /nfs/dbraw/zinc/75/90/36/453759036.db2.gz IYUAPXLQRDBSSC-UHFFFAOYSA-N 2 2 349.479 1.958 20 0 EDADLP CC(=O)Nc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C ZINC000665592227 453759037 /nfs/dbraw/zinc/75/90/37/453759037.db2.gz IYUAPXLQRDBSSC-UHFFFAOYSA-N 2 2 349.479 1.958 20 0 EDADLP OC1CC[NH+](CCC[NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657326201 453766006 /nfs/dbraw/zinc/76/60/06/453766006.db2.gz NKMCKXVJZRXKPV-UHFFFAOYSA-N 2 2 346.244 1.920 20 0 EDADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000663363431 453779923 /nfs/dbraw/zinc/77/99/23/453779923.db2.gz ADTMLGAHLUQBDR-HZPDHXFCSA-N 2 2 347.459 1.385 20 0 EDADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000663363431 453779925 /nfs/dbraw/zinc/77/99/25/453779925.db2.gz ADTMLGAHLUQBDR-HZPDHXFCSA-N 2 2 347.459 1.385 20 0 EDADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000657400418 453781883 /nfs/dbraw/zinc/78/18/83/453781883.db2.gz MFTPOSYMRPVVBF-KBPBESRZSA-N 2 2 346.397 1.906 20 0 EDADLP CO[C@]1(CO)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000661390157 453805153 /nfs/dbraw/zinc/80/51/53/453805153.db2.gz RSYCABLWXVKFND-HXUWFJFHSA-N 2 2 347.503 1.672 20 0 EDADLP CO[C@]1(CO)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000661390157 453805157 /nfs/dbraw/zinc/80/51/57/453805157.db2.gz RSYCABLWXVKFND-HXUWFJFHSA-N 2 2 347.503 1.672 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NC1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000679894600 486665197 /nfs/dbraw/zinc/66/51/97/486665197.db2.gz LRHZRHJMULXNTR-OAHLLOKOSA-N 2 2 347.463 1.218 20 0 EDADLP CO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000679954330 486682335 /nfs/dbraw/zinc/68/23/35/486682335.db2.gz XAHVZXCZZAEQCX-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000679954330 486682337 /nfs/dbraw/zinc/68/23/37/486682337.db2.gz XAHVZXCZZAEQCX-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000672668484 486757336 /nfs/dbraw/zinc/75/73/36/486757336.db2.gz NVBDFRMDXNFOMQ-DZGCQCFKSA-N 2 2 329.404 1.661 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000676664659 486836326 /nfs/dbraw/zinc/83/63/26/486836326.db2.gz KAOFOSQAOLPEPP-UHFFFAOYSA-N 2 2 347.503 1.735 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000676664659 486836327 /nfs/dbraw/zinc/83/63/27/486836327.db2.gz KAOFOSQAOLPEPP-UHFFFAOYSA-N 2 2 347.503 1.735 20 0 EDADLP O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000667606664 486872685 /nfs/dbraw/zinc/87/26/85/486872685.db2.gz KEXPIJJLWKGKKZ-INIZCTEOSA-N 2 2 346.475 1.476 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000667606664 486872690 /nfs/dbraw/zinc/87/26/90/486872690.db2.gz KEXPIJJLWKGKKZ-INIZCTEOSA-N 2 2 346.475 1.476 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683943276 486875546 /nfs/dbraw/zinc/87/55/46/486875546.db2.gz DVILEYOVXONDLQ-UHFFFAOYSA-N 2 2 331.420 1.909 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683943276 486875552 /nfs/dbraw/zinc/87/55/52/486875552.db2.gz DVILEYOVXONDLQ-UHFFFAOYSA-N 2 2 331.420 1.909 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)s1 ZINC000676839566 486899492 /nfs/dbraw/zinc/89/94/92/486899492.db2.gz NYNVBMREGBNDJN-CJNGLKHVSA-N 2 2 338.521 1.817 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000676879661 486916540 /nfs/dbraw/zinc/91/65/40/486916540.db2.gz KWEQQZBNQOOZRJ-UHFFFAOYSA-N 2 2 330.436 1.457 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000677362700 487056575 /nfs/dbraw/zinc/05/65/75/487056575.db2.gz INNNHTXEDHUREQ-NVXWUHKLSA-N 2 2 339.443 1.796 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000677362700 487056579 /nfs/dbraw/zinc/05/65/79/487056579.db2.gz INNNHTXEDHUREQ-NVXWUHKLSA-N 2 2 339.443 1.796 20 0 EDADLP Cc1ccccc1-n1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)nn1 ZINC000673599896 487067955 /nfs/dbraw/zinc/06/79/55/487067955.db2.gz ZBUMFHXKFILFEV-UHFFFAOYSA-N 2 2 342.491 1.691 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000673662091 487082026 /nfs/dbraw/zinc/08/20/26/487082026.db2.gz NDVVQGSOMWEUIS-IAGOWNOFSA-N 2 2 347.507 1.810 20 0 EDADLP Cn1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccc(Br)cc21 ZINC000681593942 487102130 /nfs/dbraw/zinc/10/21/30/487102130.db2.gz QMVHJDKECGTCQO-PHIMTYICSA-N 2 2 335.249 1.987 20 0 EDADLP Cn1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccc(Br)cc21 ZINC000681593942 487102134 /nfs/dbraw/zinc/10/21/34/487102134.db2.gz QMVHJDKECGTCQO-PHIMTYICSA-N 2 2 335.249 1.987 20 0 EDADLP C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000673862753 487136812 /nfs/dbraw/zinc/13/68/12/487136812.db2.gz GERZTQWFKRCNPJ-KGLIPLIRSA-N 2 2 344.419 1.498 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000671923001 487155620 /nfs/dbraw/zinc/15/56/20/487155620.db2.gz QYSDOJGFLRURAH-QGZVFWFLSA-N 2 2 339.443 1.895 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000671923001 487155622 /nfs/dbraw/zinc/15/56/22/487155622.db2.gz QYSDOJGFLRURAH-QGZVFWFLSA-N 2 2 339.443 1.895 20 0 EDADLP CCOC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681801051 487171938 /nfs/dbraw/zinc/17/19/38/487171938.db2.gz QTYDKORBNWXDLA-GOEBONIOSA-N 2 2 326.485 1.221 20 0 EDADLP CCOC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681801051 487171941 /nfs/dbraw/zinc/17/19/41/487171941.db2.gz QTYDKORBNWXDLA-GOEBONIOSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000684899515 487190685 /nfs/dbraw/zinc/19/06/85/487190685.db2.gz QMWVXWFTECEMHZ-MRXNPFEDSA-N 2 2 331.464 1.706 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000684899515 487190687 /nfs/dbraw/zinc/19/06/87/487190687.db2.gz QMWVXWFTECEMHZ-MRXNPFEDSA-N 2 2 331.464 1.706 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOc4ccccc4C3)cn2)CC1 ZINC000678195628 487264617 /nfs/dbraw/zinc/26/46/17/487264617.db2.gz BHZPCCDMTPSTFJ-UHFFFAOYSA-N 2 2 339.443 1.623 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCOc4ccccc4C3)cn2)CC1 ZINC000678195628 487264619 /nfs/dbraw/zinc/26/46/19/487264619.db2.gz BHZPCCDMTPSTFJ-UHFFFAOYSA-N 2 2 339.443 1.623 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC3([NH+](C)C)CCC3)[nH+]c12 ZINC000682089510 487300453 /nfs/dbraw/zinc/30/04/53/487300453.db2.gz QTTNRDNYRNVDCP-UHFFFAOYSA-N 2 2 329.448 1.969 20 0 EDADLP C[NH+]1CCN(C[C@H](NC(=O)CCc2c[nH+]c[nH]2)c2ccccc2)CC1 ZINC000526999847 487304491 /nfs/dbraw/zinc/30/44/91/487304491.db2.gz RKGDYOWLHUQHBN-SFHVURJKSA-N 2 2 341.459 1.447 20 0 EDADLP C[NH+]1CCN(C[C@H](NC(=O)CCc2c[nH]c[nH+]2)c2ccccc2)CC1 ZINC000526999847 487304494 /nfs/dbraw/zinc/30/44/94/487304494.db2.gz RKGDYOWLHUQHBN-SFHVURJKSA-N 2 2 341.459 1.447 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000678803388 487365646 /nfs/dbraw/zinc/36/56/46/487365646.db2.gz PRSMRLZEGPKBET-KRWDZBQOSA-N 2 2 328.416 1.518 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000678803388 487365648 /nfs/dbraw/zinc/36/56/48/487365648.db2.gz PRSMRLZEGPKBET-KRWDZBQOSA-N 2 2 328.416 1.518 20 0 EDADLP O=S1(=O)CC(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000682501076 487376906 /nfs/dbraw/zinc/37/69/06/487376906.db2.gz MFBOKFCGZFSBMJ-UHFFFAOYSA-N 2 2 336.501 1.718 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000675194416 487387934 /nfs/dbraw/zinc/38/79/34/487387934.db2.gz RBVJGBKCFLXZFE-INIZCTEOSA-N 3 2 339.528 1.186 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC000675233561 487392120 /nfs/dbraw/zinc/39/21/20/487392120.db2.gz WUDXNMLTVZPZIW-CABCVRRESA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC000675233561 487392123 /nfs/dbraw/zinc/39/21/23/487392123.db2.gz WUDXNMLTVZPZIW-CABCVRRESA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1cnc(C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000675233561 487392128 /nfs/dbraw/zinc/39/21/28/487392128.db2.gz WUDXNMLTVZPZIW-CABCVRRESA-N 2 2 334.464 1.925 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3c(C)[nH+]c4ccccn43)CCN2C1=O ZINC000675248293 487392707 /nfs/dbraw/zinc/39/27/07/487392707.db2.gz JTJWLSFDBQRXIB-AWEZNQCLSA-N 2 2 327.388 1.111 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3c(C)[nH+]c4ccccn43)CCN2C1=O ZINC000675248293 487392708 /nfs/dbraw/zinc/39/27/08/487392708.db2.gz JTJWLSFDBQRXIB-AWEZNQCLSA-N 2 2 327.388 1.111 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000675272770 487394345 /nfs/dbraw/zinc/39/43/45/487394345.db2.gz HFSXGYPJJKKTET-HYVNUMGLSA-N 2 2 331.464 1.960 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000675272770 487394347 /nfs/dbraw/zinc/39/43/47/487394347.db2.gz HFSXGYPJJKKTET-HYVNUMGLSA-N 2 2 331.464 1.960 20 0 EDADLP C[C@@H]1N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000675651979 487432859 /nfs/dbraw/zinc/43/28/59/487432859.db2.gz UMPDFBAISKJJIT-LSDHHAIUSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1(C)C ZINC000675651979 487432861 /nfs/dbraw/zinc/43/28/61/487432861.db2.gz UMPDFBAISKJJIT-LSDHHAIUSA-N 2 2 338.496 1.364 20 0 EDADLP COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000679827579 487466579 /nfs/dbraw/zinc/46/65/79/487466579.db2.gz RSZJEWGSDMCJQZ-IEBWSBKVSA-N 2 2 344.455 1.811 20 0 EDADLP COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000679827579 487466580 /nfs/dbraw/zinc/46/65/80/487466580.db2.gz RSZJEWGSDMCJQZ-IEBWSBKVSA-N 2 2 344.455 1.811 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3cscn3)C2)CC1 ZINC000676047244 487468763 /nfs/dbraw/zinc/46/87/63/487468763.db2.gz KBLAKSHZPABLAA-CYBMUJFWSA-N 2 2 337.493 1.153 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3cscn3)C2)CC1 ZINC000676047244 487468764 /nfs/dbraw/zinc/46/87/64/487468764.db2.gz KBLAKSHZPABLAA-CYBMUJFWSA-N 2 2 337.493 1.153 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)[nH+]c12 ZINC000669511963 485477597 /nfs/dbraw/zinc/47/75/97/485477597.db2.gz PILDNBYXQZKNID-HRCADAONSA-N 2 2 341.459 1.873 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669565756 485575994 /nfs/dbraw/zinc/57/59/94/485575994.db2.gz RCJFWMBHLWWMNK-BZUAXINKSA-N 2 2 331.464 1.619 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987659 485614215 /nfs/dbraw/zinc/61/42/15/485614215.db2.gz ZPPBKURWVOXJDI-SQNIBIBYSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987659 485614222 /nfs/dbraw/zinc/61/42/22/485614222.db2.gz ZPPBKURWVOXJDI-SQNIBIBYSA-N 2 2 337.508 1.868 20 0 EDADLP CCN(C(=O)C(=O)NCc1[nH+]ccn1CC(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000669092716 485641887 /nfs/dbraw/zinc/64/18/87/485641887.db2.gz WGCDEQLAHBLPOV-OAHLLOKOSA-N 2 2 349.479 1.098 20 0 EDADLP CCN(C(=O)C(=O)NCc1[nH+]ccn1CC(C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000669092716 485641894 /nfs/dbraw/zinc/64/18/94/485641894.db2.gz WGCDEQLAHBLPOV-OAHLLOKOSA-N 2 2 349.479 1.098 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC2CCC(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000669212505 485814290 /nfs/dbraw/zinc/81/42/90/485814290.db2.gz AYBAUCNGZHYOOU-DAWZGUTISA-N 2 2 330.476 1.997 20 0 EDADLP C[N@H+]1CCN(C(=O)NC2CCC(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000669212505 485814295 /nfs/dbraw/zinc/81/42/95/485814295.db2.gz AYBAUCNGZHYOOU-DAWZGUTISA-N 2 2 330.476 1.997 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000668546014 485877010 /nfs/dbraw/zinc/87/70/10/485877010.db2.gz NNVDFECXXCLVGU-ZDUSSCGKSA-N 2 2 345.274 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000668546014 485877013 /nfs/dbraw/zinc/87/70/13/485877013.db2.gz NNVDFECXXCLVGU-ZDUSSCGKSA-N 2 2 345.274 1.820 20 0 EDADLP CCCn1nccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617314 485956179 /nfs/dbraw/zinc/95/61/79/485956179.db2.gz JPCBWKWIAALNJG-INIZCTEOSA-N 2 2 333.480 1.534 20 0 EDADLP CCCn1nccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617314 485956182 /nfs/dbraw/zinc/95/61/82/485956182.db2.gz JPCBWKWIAALNJG-INIZCTEOSA-N 2 2 333.480 1.534 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000669366419 486013368 /nfs/dbraw/zinc/01/33/68/486013368.db2.gz NACDXQGMENXQFJ-SOLBZPMBSA-N 2 2 346.475 1.452 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H](CC[NH3+])C(F)F)[nH+]c12 ZINC000669511844 486294610 /nfs/dbraw/zinc/29/46/10/486294610.db2.gz JDEJGHGBDFIXRM-LBPRGKRZSA-N 2 2 325.363 1.467 20 0 EDADLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000390522725 486460680 /nfs/dbraw/zinc/46/06/80/486460680.db2.gz BTFXYTPOXOMZQX-CQSZACIVSA-N 2 2 328.338 1.272 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215050 486637042 /nfs/dbraw/zinc/63/70/42/486637042.db2.gz IKMAHHMLDSNVEN-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](OC(F)F)C3)C2)CC1 ZINC000670126562 486637170 /nfs/dbraw/zinc/63/71/70/486637170.db2.gz NJACWLGUADJSSG-OCCSQVGLSA-N 2 2 346.422 1.178 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](OC(F)F)C3)C2)CC1 ZINC000670126562 486637172 /nfs/dbraw/zinc/63/71/72/486637172.db2.gz NJACWLGUADJSSG-OCCSQVGLSA-N 2 2 346.422 1.178 20 0 EDADLP C[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000126755470 491015704 /nfs/dbraw/zinc/01/57/04/491015704.db2.gz DSRCTDZEZMCYNL-APHBMKBZSA-N 2 2 339.867 1.778 20 0 EDADLP C[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000126755470 491015705 /nfs/dbraw/zinc/01/57/05/491015705.db2.gz DSRCTDZEZMCYNL-APHBMKBZSA-N 2 2 339.867 1.778 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000339280492 534647265 /nfs/dbraw/zinc/64/72/65/534647265.db2.gz DSOQDZGAIQZLOB-QGZVFWFLSA-N 2 2 343.431 1.466 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000339280492 534647273 /nfs/dbraw/zinc/64/72/73/534647273.db2.gz DSOQDZGAIQZLOB-QGZVFWFLSA-N 2 2 343.431 1.466 20 0 EDADLP CC(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000161961976 535181766 /nfs/dbraw/zinc/18/17/66/535181766.db2.gz QHNKHBGVQOQWTC-GOSISDBHSA-N 2 2 349.475 1.454 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000346041968 535512408 /nfs/dbraw/zinc/51/24/08/535512408.db2.gz CVNGZUVINVVDAH-UHFFFAOYSA-N 2 2 333.480 1.954 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3)C2)CC1 ZINC000245908713 535737950 /nfs/dbraw/zinc/73/79/50/535737950.db2.gz ILBQDQABGYHVNN-SJLPKXTDSA-N 2 2 330.476 1.725 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3)C2)CC1 ZINC000245908713 535737954 /nfs/dbraw/zinc/73/79/54/535737954.db2.gz ILBQDQABGYHVNN-SJLPKXTDSA-N 2 2 330.476 1.725 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000236897155 535774585 /nfs/dbraw/zinc/77/45/85/535774585.db2.gz SFJOJJYTOIZYDE-OAHLLOKOSA-N 2 2 333.432 1.098 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000246456491 535944194 /nfs/dbraw/zinc/94/41/94/535944194.db2.gz YGJSWQRTIUIDSH-MAUKXSAKSA-N 2 2 349.450 1.609 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000246456491 535944199 /nfs/dbraw/zinc/94/41/99/535944199.db2.gz YGJSWQRTIUIDSH-MAUKXSAKSA-N 2 2 349.450 1.609 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000353414693 536137309 /nfs/dbraw/zinc/13/73/09/536137309.db2.gz UPCVVHJXKFLHFA-GOSISDBHSA-N 2 2 342.491 1.859 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000105121188 536338680 /nfs/dbraw/zinc/33/86/80/536338680.db2.gz BYPMTIPFIGOKCV-UHFFFAOYSA-N 2 2 328.420 1.408 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3Cc4ccccc4O3)CC2)CC1 ZINC000195205838 536339666 /nfs/dbraw/zinc/33/96/66/536339666.db2.gz NOTHMEGBANXSGR-IBGZPJMESA-N 2 2 343.471 1.665 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc4c3OCO4)CC2)CC1 ZINC000124357216 536340105 /nfs/dbraw/zinc/34/01/05/536340105.db2.gz MHOPBNWAJNMVMP-UHFFFAOYSA-N 2 2 345.443 1.704 20 0 EDADLP COCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080599435 536576685 /nfs/dbraw/zinc/57/66/85/536576685.db2.gz DWBRMWBNSKSWHD-UHFFFAOYSA-N 2 2 326.485 1.272 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261932069 536616953 /nfs/dbraw/zinc/61/69/53/536616953.db2.gz ZZKXEEVIVLGUFD-AUUYWEPGSA-N 2 2 349.475 1.860 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261932069 536616961 /nfs/dbraw/zinc/61/69/61/536616961.db2.gz ZZKXEEVIVLGUFD-AUUYWEPGSA-N 2 2 349.475 1.860 20 0 EDADLP COC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000262391191 536661412 /nfs/dbraw/zinc/66/14/12/536661412.db2.gz YUIGJHBGEAFHKX-HUUCEWRRSA-N 2 2 325.840 1.567 20 0 EDADLP COc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1OC(F)F ZINC000261823450 536744984 /nfs/dbraw/zinc/74/49/84/536744984.db2.gz HNXWRRLJWUTZOS-UHFFFAOYSA-N 2 2 343.374 1.160 20 0 EDADLP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1OC(F)F ZINC000261823450 536744988 /nfs/dbraw/zinc/74/49/88/536744988.db2.gz HNXWRRLJWUTZOS-UHFFFAOYSA-N 2 2 343.374 1.160 20 0 EDADLP COCC[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237100786 536773845 /nfs/dbraw/zinc/77/38/45/536773845.db2.gz GZHULTXALWQTCI-PBHICJAKSA-N 2 2 330.432 1.342 20 0 EDADLP COc1ccc([C@H](CNC(=O)[C@H]2COCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000237328386 536916946 /nfs/dbraw/zinc/91/69/46/536916946.db2.gz BFTCGZUMEVLRNL-MSOLQXFVSA-N 2 2 347.459 1.327 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c2[nH+]ccn2C)cc1 ZINC000237352580 536927162 /nfs/dbraw/zinc/92/71/62/536927162.db2.gz VUKAPFPPIIXKHQ-FMKPAKJESA-N 2 2 328.416 1.762 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC[N@@H+]1C ZINC000742200553 579440179 /nfs/dbraw/zinc/44/01/79/579440179.db2.gz ZCSPLCVXFZAYCO-NVXWUHKLSA-N 2 2 333.501 1.939 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC[N@H+]1C ZINC000742200553 579440180 /nfs/dbraw/zinc/44/01/80/579440180.db2.gz ZCSPLCVXFZAYCO-NVXWUHKLSA-N 2 2 333.501 1.939 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737649310 578280126 /nfs/dbraw/zinc/28/01/26/578280126.db2.gz LMDWFHCGKOUNMO-CYBMUJFWSA-N 2 2 330.411 1.924 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000737649310 578280127 /nfs/dbraw/zinc/28/01/27/578280127.db2.gz LMDWFHCGKOUNMO-CYBMUJFWSA-N 2 2 330.411 1.924 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCCNc2cccc[nH+]2)CCO1 ZINC000729605274 578584226 /nfs/dbraw/zinc/58/42/26/578584226.db2.gz HYZGWYMGHMOCGZ-OAHLLOKOSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCCNc2cccc[nH+]2)CCO1 ZINC000729605274 578584228 /nfs/dbraw/zinc/58/42/28/578584228.db2.gz HYZGWYMGHMOCGZ-OAHLLOKOSA-N 2 2 335.452 1.294 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000729928048 578597906 /nfs/dbraw/zinc/59/79/06/578597906.db2.gz XGVPQDDGLUEGLB-SFHVURJKSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000729928048 578597908 /nfs/dbraw/zinc/59/79/08/578597908.db2.gz XGVPQDDGLUEGLB-SFHVURJKSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccc(OCC[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000729928710 578603840 /nfs/dbraw/zinc/60/38/40/578603840.db2.gz XUJVXGPVYCIDLC-AZUAARDMSA-N 2 2 347.503 1.711 20 0 EDADLP Cc1ccc(OCC[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000729928710 578603841 /nfs/dbraw/zinc/60/38/41/578603841.db2.gz XUJVXGPVYCIDLC-AZUAARDMSA-N 2 2 347.503 1.711 20 0 EDADLP Cc1ccc(OCC[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000729928710 578603842 /nfs/dbraw/zinc/60/38/42/578603842.db2.gz XUJVXGPVYCIDLC-AZUAARDMSA-N 2 2 347.503 1.711 20 0 EDADLP Cc1ccc(OCC[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000729928710 578603843 /nfs/dbraw/zinc/60/38/43/578603843.db2.gz XUJVXGPVYCIDLC-AZUAARDMSA-N 2 2 347.503 1.711 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000732442128 578712159 /nfs/dbraw/zinc/71/21/59/578712159.db2.gz SWDAOFXZLUMRGT-INIZCTEOSA-N 2 2 342.447 1.939 20 0 EDADLP CCc1cc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000736662444 579009753 /nfs/dbraw/zinc/00/97/53/579009753.db2.gz RANXVTXJKRHANR-UHFFFAOYSA-N 2 2 348.495 1.330 20 0 EDADLP CCc1cc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000736662444 579009754 /nfs/dbraw/zinc/00/97/54/579009754.db2.gz RANXVTXJKRHANR-UHFFFAOYSA-N 2 2 348.495 1.330 20 0 EDADLP Nc1cccc2c1C(=O)N(C[NH+]1CCC(C[NH+]3CCCC3)CC1)C2=O ZINC000738071869 579156901 /nfs/dbraw/zinc/15/69/01/579156901.db2.gz QQWBRVZERAECSD-UHFFFAOYSA-N 2 2 342.443 1.630 20 0 EDADLP C[C@H]1CC[N@H+](CN2CCC3(CCOCC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000777537123 580443866 /nfs/dbraw/zinc/44/38/66/580443866.db2.gz SXDFYOXVLCBXIU-JKSUJKDBSA-N 2 2 332.448 1.753 20 0 EDADLP C[C@H]1CC[N@@H+](CN2CCC3(CCOCC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000777537123 580443867 /nfs/dbraw/zinc/44/38/67/580443867.db2.gz SXDFYOXVLCBXIU-JKSUJKDBSA-N 2 2 332.448 1.753 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000748452921 579686620 /nfs/dbraw/zinc/68/66/20/579686620.db2.gz JTYFTRDETBBXBG-STQMWFEESA-N 2 2 336.465 1.090 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](c4ccccc4)C3=O)C2)CC1 ZINC000777652239 580447648 /nfs/dbraw/zinc/44/76/48/580447648.db2.gz JYCXSVVJBZQBBE-IAGOWNOFSA-N 2 2 342.443 1.448 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](c4ccccc4)C3=O)C2)CC1 ZINC000777652239 580447649 /nfs/dbraw/zinc/44/76/49/580447649.db2.gz JYCXSVVJBZQBBE-IAGOWNOFSA-N 2 2 342.443 1.448 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000749004057 579709868 /nfs/dbraw/zinc/70/98/68/579709868.db2.gz BYOWVGIEOFGZOH-UHFFFAOYSA-N 2 2 337.493 1.152 20 0 EDADLP CCCOC(=O)[C@@H](C)N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000749459326 579727719 /nfs/dbraw/zinc/72/77/19/579727719.db2.gz CRYYCJSCULDBAV-MRXNPFEDSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000758443464 579982736 /nfs/dbraw/zinc/98/27/36/579982736.db2.gz VQVNLLMTGGBBPI-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000758443464 579982737 /nfs/dbraw/zinc/98/27/37/579982737.db2.gz VQVNLLMTGGBBPI-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000762785719 580083123 /nfs/dbraw/zinc/08/31/23/580083123.db2.gz GUBYTRRUILFRKR-LJQANCHMSA-N 3 2 332.492 1.378 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(O)CC[N@@H+](C)C3)CC2)cc1 ZINC000762785719 580083124 /nfs/dbraw/zinc/08/31/24/580083124.db2.gz GUBYTRRUILFRKR-LJQANCHMSA-N 3 2 332.492 1.378 20 0 EDADLP CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000763342856 580098167 /nfs/dbraw/zinc/09/81/67/580098167.db2.gz XRTXVRDVXCBFKB-KURKYZTESA-N 2 2 336.524 1.406 20 0 EDADLP CC(C)[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000763342856 580098168 /nfs/dbraw/zinc/09/81/68/580098168.db2.gz XRTXVRDVXCBFKB-KURKYZTESA-N 2 2 336.524 1.406 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000763718283 580104971 /nfs/dbraw/zinc/10/49/71/580104971.db2.gz WBEAGSOZDJWIJK-DLBZAZTESA-N 2 2 334.464 1.731 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000767450593 580190101 /nfs/dbraw/zinc/19/01/01/580190101.db2.gz RCFWRXXXPWQITP-UHFFFAOYSA-N 2 2 344.415 1.479 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000767450593 580190102 /nfs/dbraw/zinc/19/01/02/580190102.db2.gz RCFWRXXXPWQITP-UHFFFAOYSA-N 2 2 344.415 1.479 20 0 EDADLP Cc1[nH+]ccn1CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000771980105 580300063 /nfs/dbraw/zinc/30/00/63/580300063.db2.gz YTSYWJNSSRYTOL-QGZVFWFLSA-N 2 2 329.400 1.636 20 0 EDADLP Cc1[nH+]ccn1CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000771980105 580300064 /nfs/dbraw/zinc/30/00/64/580300064.db2.gz YTSYWJNSSRYTOL-QGZVFWFLSA-N 2 2 329.400 1.636 20 0 EDADLP O=C1C[C@]2(CCOC2)CN1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000772824602 580321474 /nfs/dbraw/zinc/32/14/74/580321474.db2.gz BHKDKDNVVISJCN-KVSKMBFKSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1C[C@]2(CCOC2)CN1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000772824602 580321475 /nfs/dbraw/zinc/32/14/75/580321475.db2.gz BHKDKDNVVISJCN-KVSKMBFKSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1C[C@]2(CCOC2)CN1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000772824602 580321476 /nfs/dbraw/zinc/32/14/76/580321476.db2.gz BHKDKDNVVISJCN-KVSKMBFKSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1C[C@]2(CCOC2)CN1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000772824602 580321477 /nfs/dbraw/zinc/32/14/77/580321477.db2.gz BHKDKDNVVISJCN-KVSKMBFKSA-N 2 2 333.476 1.532 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000782533795 580577088 /nfs/dbraw/zinc/57/70/88/580577088.db2.gz YCGZYWOIVIJFOA-ZIAGYGMSSA-N 2 2 346.397 1.996 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000782533795 580577089 /nfs/dbraw/zinc/57/70/89/580577089.db2.gz YCGZYWOIVIJFOA-ZIAGYGMSSA-N 2 2 346.397 1.996 20 0 EDADLP O=C(OCCCn1cc[nH+]c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000783784799 580606269 /nfs/dbraw/zinc/60/62/69/580606269.db2.gz HTPJLYGNDOQYGG-UHFFFAOYSA-N 2 2 329.400 1.962 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000783978074 580609855 /nfs/dbraw/zinc/60/98/55/580609855.db2.gz VQMXUTYHVPAOPB-INIZCTEOSA-N 2 2 345.491 1.644 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000783994338 580611050 /nfs/dbraw/zinc/61/10/50/580611050.db2.gz HXLAHCDTEIDYLY-IAGOWNOFSA-N 2 2 345.491 1.357 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000783994338 580611051 /nfs/dbraw/zinc/61/10/51/580611051.db2.gz HXLAHCDTEIDYLY-IAGOWNOFSA-N 2 2 345.491 1.357 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000783997086 580611266 /nfs/dbraw/zinc/61/12/66/580611266.db2.gz XEKKZISQXNDUFW-MRXNPFEDSA-N 2 2 345.491 1.644 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000783997086 580611267 /nfs/dbraw/zinc/61/12/67/580611267.db2.gz XEKKZISQXNDUFW-MRXNPFEDSA-N 2 2 345.491 1.644 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCCC3(CCOCC3)C2)C1 ZINC000783997133 580611311 /nfs/dbraw/zinc/61/13/11/580611311.db2.gz XXNDYNCBHVAZLQ-HNNXBMFYSA-N 2 2 332.448 1.586 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCCC3(CCOCC3)C2)C1 ZINC000783997133 580611312 /nfs/dbraw/zinc/61/13/12/580611312.db2.gz XXNDYNCBHVAZLQ-HNNXBMFYSA-N 2 2 332.448 1.586 20 0 EDADLP Cc1noc(C2CC2)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000785369901 580641416 /nfs/dbraw/zinc/64/14/16/580641416.db2.gz QPRHRFUCDOOTMB-UHFFFAOYSA-N 2 2 334.464 1.958 20 0 EDADLP Cc1noc(C2CC2)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000785369901 580641417 /nfs/dbraw/zinc/64/14/17/580641417.db2.gz QPRHRFUCDOOTMB-UHFFFAOYSA-N 2 2 334.464 1.958 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000786938554 580684542 /nfs/dbraw/zinc/68/45/42/580684542.db2.gz ASVOGJBFXNHBHD-UHFFFAOYSA-N 2 2 325.403 1.650 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000787925069 580709607 /nfs/dbraw/zinc/70/96/07/580709607.db2.gz MRXLHQRUVZQJOM-UHFFFAOYSA-N 2 2 328.420 1.825 20 0 EDADLP COC(=O)[C@]12C[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C[C@H]1COCC2 ZINC000793344315 580842506 /nfs/dbraw/zinc/84/25/06/580842506.db2.gz QKMZUYDBMIHELP-MAUKXSAKSA-N 2 2 342.399 1.279 20 0 EDADLP COC(=O)[C@]12C[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C[C@H]1COCC2 ZINC000793344315 580842507 /nfs/dbraw/zinc/84/25/07/580842507.db2.gz QKMZUYDBMIHELP-MAUKXSAKSA-N 2 2 342.399 1.279 20 0 EDADLP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)n(C)n1 ZINC000793522379 580846930 /nfs/dbraw/zinc/84/69/30/580846930.db2.gz FXNBNOQZSTZRRS-MRXNPFEDSA-N 2 2 343.479 1.381 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 ZINC000796311468 580950670 /nfs/dbraw/zinc/95/06/70/580950670.db2.gz GVMJECDOFBPDDU-DGCLKSJQSA-N 2 2 331.507 1.650 20 0 EDADLP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@H]2C1 ZINC000891826821 590639811 /nfs/dbraw/zinc/63/98/11/590639811.db2.gz SFJDHMDCYUNDCP-IYBDPMFKSA-N 2 2 329.448 1.385 20 0 EDADLP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@H]2C1 ZINC000891826821 590639813 /nfs/dbraw/zinc/63/98/13/590639813.db2.gz SFJDHMDCYUNDCP-IYBDPMFKSA-N 2 2 329.448 1.385 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)[nH+]c12 ZINC000893382137 590820255 /nfs/dbraw/zinc/82/02/55/590820255.db2.gz NBVKSYQAWTTYLU-ZBFHGGJFSA-N 2 2 327.432 1.531 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000892146376 590821578 /nfs/dbraw/zinc/82/15/78/590821578.db2.gz JUWFBBOKROHPGU-IRXDYDNUSA-N 2 2 334.464 1.232 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000892146376 590821581 /nfs/dbraw/zinc/82/15/81/590821581.db2.gz JUWFBBOKROHPGU-IRXDYDNUSA-N 2 2 334.464 1.232 20 0 EDADLP C[C@H]1C[N@H+](CCCOC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000893385358 590823041 /nfs/dbraw/zinc/82/30/41/590823041.db2.gz HYWBFEOEVFVXRP-AWEZNQCLSA-N 2 2 330.388 1.535 20 0 EDADLP C[C@H]1C[N@@H+](CCCOC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000893385358 590823045 /nfs/dbraw/zinc/82/30/45/590823045.db2.gz HYWBFEOEVFVXRP-AWEZNQCLSA-N 2 2 330.388 1.535 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892169485 590842722 /nfs/dbraw/zinc/84/27/22/590842722.db2.gz ZRLQLABEBVTGMV-IRXDYDNUSA-N 2 2 343.431 1.302 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC000892369066 590995669 /nfs/dbraw/zinc/99/56/69/590995669.db2.gz BWCYRZMQVQOMSH-APWZRJJASA-N 2 2 339.443 1.965 20 0 EDADLP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC000892369066 590995670 /nfs/dbraw/zinc/99/56/70/590995670.db2.gz BWCYRZMQVQOMSH-APWZRJJASA-N 2 2 339.443 1.965 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@@H](O)C3CC3)CC2)CC1 ZINC000892521696 591057220 /nfs/dbraw/zinc/05/72/20/591057220.db2.gz BMGJPRJYUIXHFP-QGZVFWFLSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000892527096 591059598 /nfs/dbraw/zinc/05/95/98/591059598.db2.gz ILNDKSLZCZOHLL-YOEHRIQHSA-N 2 2 333.457 1.844 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000892536618 591064113 /nfs/dbraw/zinc/06/41/13/591064113.db2.gz RKQLDGUFENUZKY-AEFFLSMTSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000892536618 591064118 /nfs/dbraw/zinc/06/41/18/591064118.db2.gz RKQLDGUFENUZKY-AEFFLSMTSA-N 2 2 346.475 1.199 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891422137 591072383 /nfs/dbraw/zinc/07/23/83/591072383.db2.gz UNHPFQJCTCUNRU-WMZOPIPTSA-N 2 2 325.416 1.956 20 0 EDADLP Oc1cc(Br)cnc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000892595470 591085167 /nfs/dbraw/zinc/08/51/67/591085167.db2.gz UJVCCXJDCJUCMS-UHFFFAOYSA-N 2 2 344.253 1.752 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000892610487 591095016 /nfs/dbraw/zinc/09/50/16/591095016.db2.gz BYCIYALOQQILRV-ROUUACIJSA-N 2 2 346.475 1.199 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000892610487 591095022 /nfs/dbraw/zinc/09/50/22/591095022.db2.gz BYCIYALOQQILRV-ROUUACIJSA-N 2 2 346.475 1.199 20 0 EDADLP [NH3+]CC1(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCCCC1 ZINC000891504660 591097671 /nfs/dbraw/zinc/09/76/71/591097671.db2.gz UTKUUPRHHJQBHO-UHFFFAOYSA-N 2 2 333.358 1.906 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000893922553 591139166 /nfs/dbraw/zinc/13/91/66/591139166.db2.gz GRKJSJIPMWJMLG-HOTGVXAUSA-N 2 2 349.385 1.943 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000893922553 591139168 /nfs/dbraw/zinc/13/91/68/591139168.db2.gz GRKJSJIPMWJMLG-HOTGVXAUSA-N 2 2 349.385 1.943 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000892772791 591169965 /nfs/dbraw/zinc/16/99/65/591169965.db2.gz RGRHMXHNJZKBKK-QGZVFWFLSA-N 2 2 341.459 1.784 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000892772791 591169968 /nfs/dbraw/zinc/16/99/68/591169968.db2.gz RGRHMXHNJZKBKK-QGZVFWFLSA-N 2 2 341.459 1.784 20 0 EDADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000892779075 591174251 /nfs/dbraw/zinc/17/42/51/591174251.db2.gz OAEJWWOEJANJSN-OAHLLOKOSA-N 2 2 347.463 1.457 20 0 EDADLP CN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCC[N@H+](C)C1 ZINC000891696903 591187925 /nfs/dbraw/zinc/18/79/25/591187925.db2.gz ZWHRFLYSILYHFJ-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCC[N@@H+](C)C1 ZINC000891696903 591187927 /nfs/dbraw/zinc/18/79/27/591187927.db2.gz ZWHRFLYSILYHFJ-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000891728482 591201160 /nfs/dbraw/zinc/20/11/60/591201160.db2.gz DAWJQBFNIBFBMQ-KVFNFIISSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000891728482 591201162 /nfs/dbraw/zinc/20/11/62/591201162.db2.gz DAWJQBFNIBFBMQ-KVFNFIISSA-N 2 2 338.402 1.747 20 0 EDADLP CCc1[nH]c(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C(=O)OC ZINC000894139058 591205993 /nfs/dbraw/zinc/20/59/93/591205993.db2.gz AMVCXOBFEKSNKR-OAHLLOKOSA-N 2 2 337.464 1.810 20 0 EDADLP CCc1[nH]c(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C(=O)OC ZINC000894139058 591205995 /nfs/dbraw/zinc/20/59/95/591205995.db2.gz AMVCXOBFEKSNKR-OAHLLOKOSA-N 2 2 337.464 1.810 20 0 EDADLP CC(C)([NH3+])CCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000892862223 591206525 /nfs/dbraw/zinc/20/65/25/591206525.db2.gz WCTXNIIFXKJPDM-UHFFFAOYSA-N 2 2 334.464 1.520 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000892872988 591210128 /nfs/dbraw/zinc/21/01/28/591210128.db2.gz ZVUICQSPZIVOTJ-AWEZNQCLSA-N 2 2 344.463 1.078 20 0 EDADLP Cc1ncoc1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000894178729 591218627 /nfs/dbraw/zinc/21/86/27/591218627.db2.gz KASXIYQASSMOCJ-UHFFFAOYSA-N 2 2 328.416 1.660 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000894200106 591225353 /nfs/dbraw/zinc/22/53/53/591225353.db2.gz JEWMAZVVDSNBMR-CYBMUJFWSA-N 2 2 331.416 1.501 20 0 EDADLP C[NH+]1CCN(c2ccc(N[C@H]3CCOC4(CCOCC4)C3)[nH+]c2)CC1 ZINC000894200695 591225425 /nfs/dbraw/zinc/22/54/25/591225425.db2.gz UJDAUUGPOREIRI-INIZCTEOSA-N 2 2 346.475 1.974 20 0 EDADLP CC1(C)COC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000894205840 591228002 /nfs/dbraw/zinc/22/80/02/591228002.db2.gz BRIRAWLORPZYOH-SFHVURJKSA-N 2 2 334.460 1.912 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000894218444 591233996 /nfs/dbraw/zinc/23/39/96/591233996.db2.gz CCWKPEVPLMUOQC-HNNXBMFYSA-N 2 2 327.469 1.554 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000894218444 591233999 /nfs/dbraw/zinc/23/39/99/591233999.db2.gz CCWKPEVPLMUOQC-HNNXBMFYSA-N 2 2 327.469 1.554 20 0 EDADLP c1c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)onc1C1CC1 ZINC000895687061 591249650 /nfs/dbraw/zinc/24/96/50/591249650.db2.gz ZBOFHOQEPGRTPO-INIZCTEOSA-N 2 2 334.464 1.438 20 0 EDADLP COC(OC)[C@H](C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000895787650 591272369 /nfs/dbraw/zinc/27/23/69/591272369.db2.gz VNINAYIHYNXEHJ-ZDUSSCGKSA-N 2 2 345.484 1.573 20 0 EDADLP Cn1ncc2c1nc(N[C@@H](CC[NH+](C)C)c1cccnc1)[nH+]c2N ZINC000895892651 591298737 /nfs/dbraw/zinc/29/87/37/591298737.db2.gz YPLPZBOVAPZSEV-ZDUSSCGKSA-N 2 2 326.408 1.445 20 0 EDADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nc1 ZINC000894424942 591308482 /nfs/dbraw/zinc/30/84/82/591308482.db2.gz CULNJKWSIRLWCP-MQVJKMGUSA-N 2 2 332.448 1.263 20 0 EDADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nc1 ZINC000894424942 591308484 /nfs/dbraw/zinc/30/84/84/591308484.db2.gz CULNJKWSIRLWCP-MQVJKMGUSA-N 2 2 332.448 1.263 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3nc(C(C)(C)C)co3)CC2)CC1 ZINC000894451334 591315677 /nfs/dbraw/zinc/31/56/77/591315677.db2.gz KLCQSKZKVABGQF-UHFFFAOYSA-N 2 2 348.491 1.958 20 0 EDADLP Cc1nc(NCC2([N@H+](C)Cc3ccccc3)CCOCC2)nc(N)[nH+]1 ZINC000896102192 591345785 /nfs/dbraw/zinc/34/57/85/591345785.db2.gz SQRWKEWXHQJXBU-UHFFFAOYSA-N 2 2 342.447 1.855 20 0 EDADLP Cc1nc(NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)nc(N)[nH+]1 ZINC000896102192 591345787 /nfs/dbraw/zinc/34/57/87/591345787.db2.gz SQRWKEWXHQJXBU-UHFFFAOYSA-N 2 2 342.447 1.855 20 0 EDADLP CCO[C@H](CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1)C[NH+](C)C ZINC000896112368 591347886 /nfs/dbraw/zinc/34/78/86/591347886.db2.gz LXCLVAZHKMROMK-SOUVJXGZSA-N 2 2 337.468 1.062 20 0 EDADLP CCO[C@H](CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1)C[NH+](C)C ZINC000896112368 591347891 /nfs/dbraw/zinc/34/78/91/591347891.db2.gz LXCLVAZHKMROMK-SOUVJXGZSA-N 2 2 337.468 1.062 20 0 EDADLP CCO[C@H](CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1)C[NH+](C)C ZINC000896113543 591348703 /nfs/dbraw/zinc/34/87/03/591348703.db2.gz QKFYHLYABOQBFZ-CQSZACIVSA-N 2 2 337.468 1.206 20 0 EDADLP CCO[C@H](CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C[NH+](C)C ZINC000896113543 591348706 /nfs/dbraw/zinc/34/87/06/591348706.db2.gz QKFYHLYABOQBFZ-CQSZACIVSA-N 2 2 337.468 1.206 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(NC[C@@]3(CO)COCC4(CCC4)[N@@H+]3C)c12 ZINC000894723804 591399866 /nfs/dbraw/zinc/39/98/66/591399866.db2.gz PNRQBVIFRGJUHX-GOSISDBHSA-N 2 2 345.447 1.548 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(NC[C@@]3(CO)COCC4(CCC4)[N@H+]3C)c12 ZINC000894723804 591399867 /nfs/dbraw/zinc/39/98/67/591399867.db2.gz PNRQBVIFRGJUHX-GOSISDBHSA-N 2 2 345.447 1.548 20 0 EDADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000897440115 591452972 /nfs/dbraw/zinc/45/29/72/591452972.db2.gz NFLRDXAMCXLHRG-QGZVFWFLSA-N 2 2 332.404 1.010 20 0 EDADLP O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc2[nH+]ccn21 ZINC000898634351 591454997 /nfs/dbraw/zinc/45/49/97/591454997.db2.gz QVQONZPTFGEXDY-UHFFFAOYSA-N 2 2 328.416 1.708 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000898633771 591455282 /nfs/dbraw/zinc/45/52/82/591455282.db2.gz PFBOWGXLZNOPRS-UHFFFAOYSA-N 2 2 327.432 1.490 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c[nH+]1 ZINC000896450351 591465885 /nfs/dbraw/zinc/46/58/85/591465885.db2.gz KWWAABNHDKLBJT-OAHLLOKOSA-N 2 2 334.464 1.544 20 0 EDADLP CC1(C)CCC[N@@H+]1CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000909430624 591562927 /nfs/dbraw/zinc/56/29/27/591562927.db2.gz NGDLOKQIMZBSEA-UHFFFAOYSA-N 2 2 348.491 1.425 20 0 EDADLP CC1(C)CCC[N@H+]1CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000909430624 591562933 /nfs/dbraw/zinc/56/29/33/591562933.db2.gz NGDLOKQIMZBSEA-UHFFFAOYSA-N 2 2 348.491 1.425 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000897584077 591568201 /nfs/dbraw/zinc/56/82/01/591568201.db2.gz ZPBYJUQMOGGJRQ-XJKSGUPXSA-N 2 2 342.447 1.930 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000897584077 591568204 /nfs/dbraw/zinc/56/82/04/591568204.db2.gz ZPBYJUQMOGGJRQ-XJKSGUPXSA-N 2 2 342.447 1.930 20 0 EDADLP C[C@@H]([C@H]1CCS(=O)(=O)C1)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895132527 591607696 /nfs/dbraw/zinc/60/76/96/591607696.db2.gz VPLDEHJXQCVXTI-VGWMRTNUSA-N 2 2 337.489 1.981 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000898963248 591619158 /nfs/dbraw/zinc/61/91/58/591619158.db2.gz YDGQTZUYYDFZIS-GOSISDBHSA-N 2 2 327.432 1.880 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000898963248 591619160 /nfs/dbraw/zinc/61/91/60/591619160.db2.gz YDGQTZUYYDFZIS-GOSISDBHSA-N 2 2 327.432 1.880 20 0 EDADLP Cc1[nH]c(CNC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)[nH+]c1C ZINC000896922011 591682274 /nfs/dbraw/zinc/68/22/74/591682274.db2.gz UZUKOTZEMGJIFS-SFHVURJKSA-N 2 2 341.459 1.631 20 0 EDADLP O=S(=O)(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCCC1 ZINC000897831983 591688267 /nfs/dbraw/zinc/68/82/67/591688267.db2.gz HIMZDGFVOXMBFD-UHFFFAOYSA-N 2 2 334.445 1.388 20 0 EDADLP Cc1cc[nH+]c(N)c1C[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000895412488 591748181 /nfs/dbraw/zinc/74/81/81/591748181.db2.gz XLFNAMUIHLZIJT-UHFFFAOYSA-N 2 2 328.372 1.472 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000895415051 591749807 /nfs/dbraw/zinc/74/98/07/591749807.db2.gz SAFVSASOTLBOLJ-ROUUACIJSA-N 2 2 345.487 1.906 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000895415051 591749810 /nfs/dbraw/zinc/74/98/10/591749810.db2.gz SAFVSASOTLBOLJ-ROUUACIJSA-N 2 2 345.487 1.906 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n[nH]1 ZINC000899969048 591849381 /nfs/dbraw/zinc/84/93/81/591849381.db2.gz JNKFRRKRIRIPAC-YOEHRIQHSA-N 2 2 347.463 1.113 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n[nH]1 ZINC000899969048 591849383 /nfs/dbraw/zinc/84/93/83/591849383.db2.gz JNKFRRKRIRIPAC-YOEHRIQHSA-N 2 2 347.463 1.113 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)n1C ZINC000898288189 591854053 /nfs/dbraw/zinc/85/40/53/591854053.db2.gz GXQOWXPXQJCICF-UHFFFAOYSA-N 2 2 334.445 1.922 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898366690 591892191 /nfs/dbraw/zinc/89/21/91/591892191.db2.gz FHNVAZNXKBXMAU-MDZLAQPJSA-N 2 2 337.855 1.487 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898366690 591892193 /nfs/dbraw/zinc/89/21/93/591892193.db2.gz FHNVAZNXKBXMAU-MDZLAQPJSA-N 2 2 337.855 1.487 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000899811588 591947799 /nfs/dbraw/zinc/94/77/99/591947799.db2.gz WNGCDIGMIATHHA-CABCVRRESA-N 2 2 325.416 1.578 20 0 EDADLP [NH2+]=C(NOCc1cnsn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000902323276 591978700 /nfs/dbraw/zinc/97/87/00/591978700.db2.gz BPHDFJHTGUTRGN-AWEZNQCLSA-N 2 2 333.417 1.438 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000902448552 591998526 /nfs/dbraw/zinc/99/85/26/591998526.db2.gz GMTTZBGXDFWMLY-WFASDCNBSA-N 2 2 333.432 1.778 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000902464353 592000415 /nfs/dbraw/zinc/00/04/15/592000415.db2.gz BKNDVJGMQPWLTC-GUDXXQAFSA-N 2 2 335.473 1.770 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000900445816 592029236 /nfs/dbraw/zinc/02/92/36/592029236.db2.gz GOIWROFVCMWZQP-LRDDRELGSA-N 2 2 334.807 1.919 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000900445816 592029238 /nfs/dbraw/zinc/02/92/38/592029238.db2.gz GOIWROFVCMWZQP-LRDDRELGSA-N 2 2 334.807 1.919 20 0 EDADLP CCC[N@H+](CN1C[C@H](O)CC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902640742 592034849 /nfs/dbraw/zinc/03/48/49/592034849.db2.gz KGYXJVHVQPKUTO-LJQANCHMSA-N 2 2 345.487 1.914 20 0 EDADLP CCC[N@@H+](CN1C[C@H](O)CC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000902640742 592034851 /nfs/dbraw/zinc/03/48/51/592034851.db2.gz KGYXJVHVQPKUTO-LJQANCHMSA-N 2 2 345.487 1.914 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000903015456 592096861 /nfs/dbraw/zinc/09/68/61/592096861.db2.gz SGODBRQEOCXYPK-DOTOQJQBSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000903015456 592096863 /nfs/dbraw/zinc/09/68/63/592096863.db2.gz SGODBRQEOCXYPK-DOTOQJQBSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000903015456 592096865 /nfs/dbraw/zinc/09/68/65/592096865.db2.gz SGODBRQEOCXYPK-DOTOQJQBSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000903015456 592096866 /nfs/dbraw/zinc/09/68/66/592096866.db2.gz SGODBRQEOCXYPK-DOTOQJQBSA-N 2 2 342.867 1.732 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000903252350 592147302 /nfs/dbraw/zinc/14/73/02/592147302.db2.gz AUHBTHDEQYGTCT-GOEBONIOSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000903252350 592147306 /nfs/dbraw/zinc/14/73/06/592147306.db2.gz AUHBTHDEQYGTCT-GOEBONIOSA-N 2 2 340.512 1.515 20 0 EDADLP Cc1cc(C)cc(OCC(=O)N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903457725 592171056 /nfs/dbraw/zinc/17/10/56/592171056.db2.gz ZOTOKPUUWNIEFV-MSOLQXFVSA-N 2 2 345.487 1.682 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCOCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903459354 592171645 /nfs/dbraw/zinc/17/16/45/592171645.db2.gz HDBZYJJHIHHKPB-LJQANCHMSA-N 2 2 343.427 1.127 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCOCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000903459354 592171647 /nfs/dbraw/zinc/17/16/47/592171647.db2.gz HDBZYJJHIHHKPB-LJQANCHMSA-N 2 2 343.427 1.127 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000903444071 592173059 /nfs/dbraw/zinc/17/30/59/592173059.db2.gz OYDPZWKTWWOEBU-HFTRVMKXSA-N 2 2 337.895 1.847 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000903444071 592173061 /nfs/dbraw/zinc/17/30/61/592173061.db2.gz OYDPZWKTWWOEBU-HFTRVMKXSA-N 2 2 337.895 1.847 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903484824 592177514 /nfs/dbraw/zinc/17/75/14/592177514.db2.gz WHASRYFPRSALMK-INIZCTEOSA-N 2 2 338.473 1.733 20 0 EDADLP C/C(=C\C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)C[NH+]1CCOCC1 ZINC000900959786 592186059 /nfs/dbraw/zinc/18/60/59/592186059.db2.gz NJRGDAJECYFUQP-OKACTXMXSA-N 2 2 332.448 1.461 20 0 EDADLP Cc1ccc2cccnc2c1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903566223 592212745 /nfs/dbraw/zinc/21/27/45/592212745.db2.gz LYRHVULGUGCKJO-UHFFFAOYSA-N 2 2 348.472 1.245 20 0 EDADLP CC1(C)CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1[NH3+] ZINC000903556013 592217953 /nfs/dbraw/zinc/21/79/53/592217953.db2.gz KCERNGOSRADLJV-HNNXBMFYSA-N 2 2 336.505 1.061 20 0 EDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904326941 592231645 /nfs/dbraw/zinc/23/16/45/592231645.db2.gz UAZAZYAQWPYBAV-SJORKVTESA-N 2 2 338.540 1.769 20 0 EDADLP CNC(=O)c1nc(C2CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC2)n[nH]1 ZINC000904385589 592248294 /nfs/dbraw/zinc/24/82/94/592248294.db2.gz ZKSFPISPBBLRJS-ZDUSSCGKSA-N 2 2 336.484 1.497 20 0 EDADLP Cc1cc(C)c2cc(NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)ccc2[nH+]1 ZINC000906700341 592274270 /nfs/dbraw/zinc/27/42/70/592274270.db2.gz IKRXTNXOELIZKN-INIZCTEOSA-N 2 2 340.427 1.904 20 0 EDADLP COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766142 592308549 /nfs/dbraw/zinc/30/85/49/592308549.db2.gz PNPIEFYYCSUBSS-AOIWGVFYSA-N 2 2 348.443 1.610 20 0 EDADLP COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766142 592308554 /nfs/dbraw/zinc/30/85/54/592308554.db2.gz PNPIEFYYCSUBSS-AOIWGVFYSA-N 2 2 348.443 1.610 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903756140 592313373 /nfs/dbraw/zinc/31/33/73/592313373.db2.gz PBZXFNKBAACBRL-DOTOQJQBSA-N 2 2 343.537 1.703 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903756140 592313378 /nfs/dbraw/zinc/31/33/78/592313378.db2.gz PBZXFNKBAACBRL-DOTOQJQBSA-N 2 2 343.537 1.703 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000901297731 592328550 /nfs/dbraw/zinc/32/85/50/592328550.db2.gz BLDJJAKMKLQYCF-KBPBESRZSA-N 2 2 334.420 1.348 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000901297731 592328554 /nfs/dbraw/zinc/32/85/54/592328554.db2.gz BLDJJAKMKLQYCF-KBPBESRZSA-N 2 2 334.420 1.348 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ncon3)C2)C1 ZINC000908119225 592331665 /nfs/dbraw/zinc/33/16/65/592331665.db2.gz QAJRZOSMPAIQRI-JKSUJKDBSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ncon3)C2)C1 ZINC000908119225 592331668 /nfs/dbraw/zinc/33/16/68/592331668.db2.gz QAJRZOSMPAIQRI-JKSUJKDBSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)C1 ZINC000908119225 592331674 /nfs/dbraw/zinc/33/16/74/592331674.db2.gz QAJRZOSMPAIQRI-JKSUJKDBSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)C1 ZINC000908119225 592331678 /nfs/dbraw/zinc/33/16/78/592331678.db2.gz QAJRZOSMPAIQRI-JKSUJKDBSA-N 2 2 349.479 1.520 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@@H](C)C1 ZINC000901320521 592340167 /nfs/dbraw/zinc/34/01/67/592340167.db2.gz DGRMROUGITZJKA-JYJNAYRXSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@@H](C)C1 ZINC000901320521 592340169 /nfs/dbraw/zinc/34/01/69/592340169.db2.gz DGRMROUGITZJKA-JYJNAYRXSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)[C@@H](C)C1 ZINC000901320521 592340174 /nfs/dbraw/zinc/34/01/74/592340174.db2.gz DGRMROUGITZJKA-JYJNAYRXSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)[C@@H](C)C1 ZINC000901320521 592340179 /nfs/dbraw/zinc/34/01/79/592340179.db2.gz DGRMROUGITZJKA-JYJNAYRXSA-N 2 2 337.464 1.099 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903891473 592352830 /nfs/dbraw/zinc/35/28/30/592352830.db2.gz ARTCAZNJIXMPGQ-HZPDHXFCSA-N 3 2 343.479 1.799 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903891473 592352836 /nfs/dbraw/zinc/35/28/36/592352836.db2.gz ARTCAZNJIXMPGQ-HZPDHXFCSA-N 3 2 343.479 1.799 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCOCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872395 592354074 /nfs/dbraw/zinc/35/40/74/592354074.db2.gz YSWCKQBIZFIPIK-LJQANCHMSA-N 2 2 343.427 1.127 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCOCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872395 592354080 /nfs/dbraw/zinc/35/40/80/592354080.db2.gz YSWCKQBIZFIPIK-LJQANCHMSA-N 2 2 343.427 1.127 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903925590 592379960 /nfs/dbraw/zinc/37/99/60/592379960.db2.gz OQSVFVDGUVHTGB-AWEZNQCLSA-N 2 2 349.447 1.587 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000903937512 592387447 /nfs/dbraw/zinc/38/74/47/592387447.db2.gz MIYSGHXFGQLVGH-YRGRVCCFSA-N 2 2 347.385 1.744 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000903937512 592387453 /nfs/dbraw/zinc/38/74/53/592387453.db2.gz MIYSGHXFGQLVGH-YRGRVCCFSA-N 2 2 347.385 1.744 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000903937511 592387956 /nfs/dbraw/zinc/38/79/56/592387956.db2.gz MIYSGHXFGQLVGH-MBNYWOFBSA-N 2 2 347.385 1.744 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[C@H](C(F)(F)F)O1 ZINC000903937511 592387960 /nfs/dbraw/zinc/38/79/60/592387960.db2.gz MIYSGHXFGQLVGH-MBNYWOFBSA-N 2 2 347.385 1.744 20 0 EDADLP Cn1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C2CCCC2)n1 ZINC000906908253 592399033 /nfs/dbraw/zinc/39/90/33/592399033.db2.gz YBRNVWRHVKFINK-UHFFFAOYSA-N 2 2 347.507 1.834 20 0 EDADLP C[C@@](O)(C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C(F)F ZINC000905072744 592402526 /nfs/dbraw/zinc/40/25/26/592402526.db2.gz SGXJCBDEGGZRMW-QGZVFWFLSA-N 2 2 344.402 1.503 20 0 EDADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905103091 592407380 /nfs/dbraw/zinc/40/73/80/592407380.db2.gz XLBADNNKVJSZTK-INIZCTEOSA-N 2 2 342.524 1.769 20 0 EDADLP CCCNC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901730136 592446115 /nfs/dbraw/zinc/44/61/15/592446115.db2.gz VGEXSFZGZCWOPJ-UWVGGRQHSA-N 2 2 329.242 1.465 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904305426 592473233 /nfs/dbraw/zinc/47/32/33/592473233.db2.gz NQLWADDHUMSQPY-MRXNPFEDSA-N 2 2 326.529 1.626 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905380523 592512310 /nfs/dbraw/zinc/51/23/10/592512310.db2.gz GRAMCLMRKGGQTP-RDJZCZTQSA-N 2 2 327.419 1.408 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000905448242 592528788 /nfs/dbraw/zinc/52/87/88/592528788.db2.gz BJJKLTFXTKLEKD-QZTJIDSGSA-N 2 2 331.460 1.080 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000905448242 592528790 /nfs/dbraw/zinc/52/87/90/592528790.db2.gz BJJKLTFXTKLEKD-QZTJIDSGSA-N 2 2 331.460 1.080 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000905448243 592528965 /nfs/dbraw/zinc/52/89/65/592528965.db2.gz BJJKLTFXTKLEKD-ROUUACIJSA-N 2 2 331.460 1.080 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000905448243 592528966 /nfs/dbraw/zinc/52/89/66/592528966.db2.gz BJJKLTFXTKLEKD-ROUUACIJSA-N 2 2 331.460 1.080 20 0 EDADLP C[C@H](C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)S(C)(=O)=O ZINC000905434519 592533710 /nfs/dbraw/zinc/53/37/10/592533710.db2.gz ABDPDRZQGHFYBL-PBHICJAKSA-N 2 2 337.489 1.816 20 0 EDADLP C[C@H](C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)S(C)(=O)=O ZINC000905434519 592533713 /nfs/dbraw/zinc/53/37/13/592533713.db2.gz ABDPDRZQGHFYBL-PBHICJAKSA-N 2 2 337.489 1.816 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](CO)C[C@@H]3CCCO3)c2cc1C ZINC000905474063 592536101 /nfs/dbraw/zinc/53/61/01/592536101.db2.gz OEICMLOIXPIVPM-BBWFWOEESA-N 2 2 347.459 1.534 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000905541411 592557217 /nfs/dbraw/zinc/55/72/17/592557217.db2.gz DOODHZUPNOCRLJ-XYSPPFBYSA-N 2 2 326.481 1.932 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000905541411 592557219 /nfs/dbraw/zinc/55/72/19/592557219.db2.gz DOODHZUPNOCRLJ-XYSPPFBYSA-N 2 2 326.481 1.932 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+]Cc2cc(N(C)C)cc[nH+]2)c1 ZINC000905526600 592561345 /nfs/dbraw/zinc/56/13/45/592561345.db2.gz XKSFGTWPOLTFIA-GOSISDBHSA-N 2 2 343.427 1.880 20 0 EDADLP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)CC1(CO)CCCC1)c1cccnc1 ZINC000905548835 592571843 /nfs/dbraw/zinc/57/18/43/592571843.db2.gz BXUXLOZSPUHUNS-MSOLQXFVSA-N 2 2 335.492 1.968 20 0 EDADLP CC(C)c1nc(N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000905721093 592622263 /nfs/dbraw/zinc/62/22/63/592622263.db2.gz GQNCECPYQFUZLG-NXEZZACHSA-N 2 2 332.374 1.777 20 0 EDADLP CCn1c([C@H]2C[NH+](C)C[C@H](C)O2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000908831712 592636328 /nfs/dbraw/zinc/63/63/28/592636328.db2.gz VYENWTIUUFLXGX-OIPACUDHSA-N 2 2 348.495 1.078 20 0 EDADLP CCn1c([C@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000908831712 592636333 /nfs/dbraw/zinc/63/63/33/592636333.db2.gz VYENWTIUUFLXGX-OIPACUDHSA-N 2 2 348.495 1.078 20 0 EDADLP CCn1c([C@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000908831712 592636336 /nfs/dbraw/zinc/63/63/36/592636336.db2.gz VYENWTIUUFLXGX-OIPACUDHSA-N 2 2 348.495 1.078 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(C[N@H+](C)C(C)(C)C)nn2)CC1 ZINC000905784993 592648797 /nfs/dbraw/zinc/64/87/97/592648797.db2.gz HZSBPJSDYCRXMH-AWEZNQCLSA-N 2 2 336.484 1.234 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(C[N@@H+](C)C(C)(C)C)nn2)CC1 ZINC000905784993 592648800 /nfs/dbraw/zinc/64/88/00/592648800.db2.gz HZSBPJSDYCRXMH-AWEZNQCLSA-N 2 2 336.484 1.234 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(Cc3ncon3)nn2)C1 ZINC000906262082 592776716 /nfs/dbraw/zinc/77/67/16/592776716.db2.gz AQHKSNGORKWFGK-CQSZACIVSA-N 2 2 342.407 1.305 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(Cc3ncon3)nn2)C1 ZINC000906262082 592776719 /nfs/dbraw/zinc/77/67/19/592776719.db2.gz AQHKSNGORKWFGK-CQSZACIVSA-N 2 2 342.407 1.305 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2c[nH+]cn2C)CC1 ZINC000910838079 592895493 /nfs/dbraw/zinc/89/54/93/592895493.db2.gz VAFZHSNTKKFWRA-OAHLLOKOSA-N 2 2 347.463 1.026 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000910863737 592897994 /nfs/dbraw/zinc/89/79/94/592897994.db2.gz OWTSJVRNRQMVQE-KRWDZBQOSA-N 2 2 348.491 1.387 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000910863737 592897995 /nfs/dbraw/zinc/89/79/95/592897995.db2.gz OWTSJVRNRQMVQE-KRWDZBQOSA-N 2 2 348.491 1.387 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1 ZINC000910879226 592899698 /nfs/dbraw/zinc/89/96/98/592899698.db2.gz MRVAHUNXQFZKJR-UHFFFAOYSA-N 2 2 348.491 1.987 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000910879226 592899699 /nfs/dbraw/zinc/89/96/99/592899699.db2.gz MRVAHUNXQFZKJR-UHFFFAOYSA-N 2 2 348.491 1.987 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)NC(C3CC3)C3CC3)C2)CC1 ZINC000734760963 592968766 /nfs/dbraw/zinc/96/87/66/592968766.db2.gz OBFXBHZGFULTRQ-OAHLLOKOSA-N 2 2 336.549 1.808 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)NC(C3CC3)C3CC3)C2)CC1 ZINC000734760963 592968769 /nfs/dbraw/zinc/96/87/69/592968769.db2.gz OBFXBHZGFULTRQ-OAHLLOKOSA-N 2 2 336.549 1.808 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000867029356 593216000 /nfs/dbraw/zinc/21/60/00/593216000.db2.gz BPZPDQQHSJRMHU-JZJRWUJFSA-N 2 2 329.444 1.436 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000867029356 593216002 /nfs/dbraw/zinc/21/60/02/593216002.db2.gz BPZPDQQHSJRMHU-JZJRWUJFSA-N 2 2 329.444 1.436 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1 ZINC000808172087 593233733 /nfs/dbraw/zinc/23/37/33/593233733.db2.gz POCKQSJWDBZWIT-MRXNPFEDSA-N 2 2 344.463 1.814 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1cnn(C)c1 ZINC000808172087 593233736 /nfs/dbraw/zinc/23/37/36/593233736.db2.gz POCKQSJWDBZWIT-MRXNPFEDSA-N 2 2 344.463 1.814 20 0 EDADLP CN(C)c1ccccc1C[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000808235849 593244137 /nfs/dbraw/zinc/24/41/37/593244137.db2.gz IJJGZLNGRWLQAK-MRXNPFEDSA-N 2 2 341.459 1.892 20 0 EDADLP CN(C)c1ccccc1C[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000808235849 593244140 /nfs/dbraw/zinc/24/41/40/593244140.db2.gz IJJGZLNGRWLQAK-MRXNPFEDSA-N 2 2 341.459 1.892 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cs1 ZINC000839465602 593303010 /nfs/dbraw/zinc/30/30/10/593303010.db2.gz PLUGOQFBWSCTFL-UHFFFAOYSA-N 2 2 337.489 1.748 20 0 EDADLP O=C1N(C[NH+]2CCC(n3cc[nH+]c3)CC2)[C@@H](C2CC2)[C@@]12CCCO2 ZINC000840005656 593341431 /nfs/dbraw/zinc/34/14/31/593341431.db2.gz ZAHOTJPXOJBOIL-WMZOPIPTSA-N 2 2 330.432 1.648 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C(=O)CC3(CCC3)C2=O)C1 ZINC000840018261 593381049 /nfs/dbraw/zinc/38/10/49/593381049.db2.gz MRSMZPSFSHKGSJ-HNNXBMFYSA-N 2 2 337.464 1.306 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C(=O)CC3(CCC3)C2=O)C1 ZINC000840018261 593381052 /nfs/dbraw/zinc/38/10/52/593381052.db2.gz MRSMZPSFSHKGSJ-HNNXBMFYSA-N 2 2 337.464 1.306 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCOCC4)[C@H]3C3CC3)CC[C@H]21 ZINC000840028364 593392624 /nfs/dbraw/zinc/39/26/24/593392624.db2.gz OMXRUZVLCOLTFW-KZNAEPCWSA-N 2 2 347.503 1.778 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCOCC4)[C@H]3C3CC3)CC[C@H]21 ZINC000840028364 593392627 /nfs/dbraw/zinc/39/26/27/593392627.db2.gz OMXRUZVLCOLTFW-KZNAEPCWSA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)C4(CCOCC4)[C@H]3C3CC3)CC[C@H]21 ZINC000840028364 593392630 /nfs/dbraw/zinc/39/26/30/593392630.db2.gz OMXRUZVLCOLTFW-KZNAEPCWSA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)C4(CCOCC4)[C@H]3C3CC3)CC[C@H]21 ZINC000840028364 593392633 /nfs/dbraw/zinc/39/26/33/593392633.db2.gz OMXRUZVLCOLTFW-KZNAEPCWSA-N 2 2 347.503 1.778 20 0 EDADLP CC1(C)C(=O)N(C[NH+]2CCC(n3cc[nH+]c3)CC2)[C@@H]1[C@@H]1CCCO1 ZINC000811748225 593478329 /nfs/dbraw/zinc/47/83/29/593478329.db2.gz UNECXVXOLHMION-JKSUJKDBSA-N 2 2 332.448 1.894 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000811952991 593487255 /nfs/dbraw/zinc/48/72/55/593487255.db2.gz VLJAGUWHWOOFAB-HUUCEWRRSA-N 2 2 347.463 1.210 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000811952991 593487256 /nfs/dbraw/zinc/48/72/56/593487256.db2.gz VLJAGUWHWOOFAB-HUUCEWRRSA-N 2 2 347.463 1.210 20 0 EDADLP CN(C)C(=O)OC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000815191627 593619813 /nfs/dbraw/zinc/61/98/13/593619813.db2.gz HQPPFLMVFAOJDU-UHFFFAOYSA-N 2 2 329.404 1.930 20 0 EDADLP O=C1OCCN1c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000817922183 593649025 /nfs/dbraw/zinc/64/90/25/593649025.db2.gz SSRQPDBZCUOVNU-DLBZAZTESA-N 2 2 331.416 1.500 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCc2cnn(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000817933679 593650109 /nfs/dbraw/zinc/65/01/09/593650109.db2.gz OCCKQYZSFHSDOX-MSOLQXFVSA-N 2 2 329.448 1.839 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817982994 593653300 /nfs/dbraw/zinc/65/33/00/593653300.db2.gz XLJDJTCXRBPAGH-QXAKKESOSA-N 2 2 333.476 1.244 20 0 EDADLP C[C@H](NC[C@H]1C[NH2+]CCCO1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000817982994 593653302 /nfs/dbraw/zinc/65/33/02/593653302.db2.gz XLJDJTCXRBPAGH-QXAKKESOSA-N 2 2 333.476 1.244 20 0 EDADLP C[C@H](NC[C@H]1C[NH2+]CCCO1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000817982994 593653304 /nfs/dbraw/zinc/65/33/04/593653304.db2.gz XLJDJTCXRBPAGH-QXAKKESOSA-N 2 2 333.476 1.244 20 0 EDADLP OC1(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000818989767 593732602 /nfs/dbraw/zinc/73/26/02/593732602.db2.gz SNVNEHMENBUEHI-UHFFFAOYSA-N 3 2 332.492 1.879 20 0 EDADLP CN(C[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C(=O)OC(C)(C)C ZINC000819039763 593734989 /nfs/dbraw/zinc/73/49/89/593734989.db2.gz SFQCLWZEWXDMOS-HUUCEWRRSA-N 2 2 327.469 1.288 20 0 EDADLP CN(C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)OC(C)(C)C ZINC000819039763 593734990 /nfs/dbraw/zinc/73/49/90/593734990.db2.gz SFQCLWZEWXDMOS-HUUCEWRRSA-N 2 2 327.469 1.288 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819049457 593735667 /nfs/dbraw/zinc/73/56/67/593735667.db2.gz KEFLFPHAODOLQA-LSDHHAIUSA-N 2 2 342.281 1.318 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819049457 593735668 /nfs/dbraw/zinc/73/56/68/593735668.db2.gz KEFLFPHAODOLQA-LSDHHAIUSA-N 2 2 342.281 1.318 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819049455 593735718 /nfs/dbraw/zinc/73/57/18/593735718.db2.gz KEFLFPHAODOLQA-GJZGRUSLSA-N 2 2 342.281 1.318 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819049455 593735719 /nfs/dbraw/zinc/73/57/19/593735719.db2.gz KEFLFPHAODOLQA-GJZGRUSLSA-N 2 2 342.281 1.318 20 0 EDADLP Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000819077850 593737502 /nfs/dbraw/zinc/73/75/02/593737502.db2.gz PKNDCFCMFQGGGR-UXHICEINSA-N 2 2 347.503 1.333 20 0 EDADLP COc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000819292980 593748899 /nfs/dbraw/zinc/74/88/99/593748899.db2.gz MPMRPSSESZEZOH-DOTOQJQBSA-N 2 2 333.432 1.233 20 0 EDADLP COc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000819292980 593748900 /nfs/dbraw/zinc/74/89/00/593748900.db2.gz MPMRPSSESZEZOH-DOTOQJQBSA-N 2 2 333.432 1.233 20 0 EDADLP C[NH+]1CCC(CNC(=O)/C=C/[C@@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000819316184 593750509 /nfs/dbraw/zinc/75/05/09/593750509.db2.gz FVRBDIFDXUCBQI-OZSKJFCKSA-N 2 2 335.492 1.788 20 0 EDADLP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[NH+]3CCCC3)c2)CC1 ZINC000820519783 593825825 /nfs/dbraw/zinc/82/58/25/593825825.db2.gz KOHDKBSKNKWCPP-UHFFFAOYSA-N 2 2 344.459 1.037 20 0 EDADLP O=C(NCC[NH+]1CCC(O)CC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821863872 593956433 /nfs/dbraw/zinc/95/64/33/593956433.db2.gz QLIPHZVWXYPTIS-UHFFFAOYSA-N 2 2 335.448 1.452 20 0 EDADLP CC(C)[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824337932 593989068 /nfs/dbraw/zinc/98/90/68/593989068.db2.gz KMTWUHMVDDYOOQ-QGZVFWFLSA-N 2 2 344.463 1.438 20 0 EDADLP Cc1ccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(N(C)C)[nH+]1 ZINC000822086313 593991345 /nfs/dbraw/zinc/99/13/45/593991345.db2.gz WQJXMLLNWRNGPR-HNNXBMFYSA-N 2 2 347.463 1.519 20 0 EDADLP Cc1ccc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(N(C)C)[nH+]1 ZINC000822086313 593991347 /nfs/dbraw/zinc/99/13/47/593991347.db2.gz WQJXMLLNWRNGPR-HNNXBMFYSA-N 2 2 347.463 1.519 20 0 EDADLP CC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821254372 593998800 /nfs/dbraw/zinc/99/88/00/593998800.db2.gz LMRRTTZMWIZVKQ-INIZCTEOSA-N 2 2 330.436 1.316 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821254372 593998802 /nfs/dbraw/zinc/99/88/02/593998802.db2.gz LMRRTTZMWIZVKQ-INIZCTEOSA-N 2 2 330.436 1.316 20 0 EDADLP COC(OC)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000821306129 594011145 /nfs/dbraw/zinc/01/11/45/594011145.db2.gz FZPNLTDWRBXOAM-CVEARBPZSA-N 2 2 341.496 1.401 20 0 EDADLP COC(OC)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000821306129 594011147 /nfs/dbraw/zinc/01/11/47/594011147.db2.gz FZPNLTDWRBXOAM-CVEARBPZSA-N 2 2 341.496 1.401 20 0 EDADLP O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000824878286 594089297 /nfs/dbraw/zinc/08/92/97/594089297.db2.gz HQJXKHVYLVNMBP-UHFFFAOYSA-N 2 2 328.416 1.936 20 0 EDADLP CC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825121059 594132678 /nfs/dbraw/zinc/13/26/78/594132678.db2.gz PGUUFLGVJGKXAG-HNNXBMFYSA-N 2 2 330.436 1.192 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000825208987 594148343 /nfs/dbraw/zinc/14/83/43/594148343.db2.gz UJBJWKQQKCYOFL-QGZVFWFLSA-N 2 2 331.460 1.681 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000825208987 594148344 /nfs/dbraw/zinc/14/83/44/594148344.db2.gz UJBJWKQQKCYOFL-QGZVFWFLSA-N 2 2 331.460 1.681 20 0 EDADLP CCCCC[C@@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823267658 594178393 /nfs/dbraw/zinc/17/83/93/594178393.db2.gz YNTGRUWKBXLSDF-DLBZAZTESA-N 2 2 325.497 1.555 20 0 EDADLP CCCCC[C@@H](O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823267658 594178395 /nfs/dbraw/zinc/17/83/95/594178395.db2.gz YNTGRUWKBXLSDF-DLBZAZTESA-N 2 2 325.497 1.555 20 0 EDADLP Cn1c2ccc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc2oc1=O ZINC000827856433 594291977 /nfs/dbraw/zinc/29/19/77/594291977.db2.gz PFCZWYDJMXRTFL-HNNXBMFYSA-N 2 2 333.432 1.674 20 0 EDADLP Cn1c2ccc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc2oc1=O ZINC000827856433 594291978 /nfs/dbraw/zinc/29/19/78/594291978.db2.gz PFCZWYDJMXRTFL-HNNXBMFYSA-N 2 2 333.432 1.674 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000825985187 594298168 /nfs/dbraw/zinc/29/81/68/594298168.db2.gz BHIKVVHUHZHIOZ-KRWDZBQOSA-N 2 2 331.460 1.775 20 0 EDADLP Cn1cnc(/C=C/C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC000828137111 594349386 /nfs/dbraw/zinc/34/93/86/594349386.db2.gz VDSSTUGUXFXBJJ-ONEGZZNKSA-N 2 2 326.404 1.219 20 0 EDADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826157814 594354224 /nfs/dbraw/zinc/35/42/24/594354224.db2.gz NADXJFDNGBDBTL-LBPRGKRZSA-N 2 2 336.415 1.625 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826157814 594354226 /nfs/dbraw/zinc/35/42/26/594354226.db2.gz NADXJFDNGBDBTL-LBPRGKRZSA-N 2 2 336.415 1.625 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826159756 594354307 /nfs/dbraw/zinc/35/43/07/594354307.db2.gz QNRLYQLKHMMHMK-BBRMVZONSA-N 2 2 330.436 1.628 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826159756 594354309 /nfs/dbraw/zinc/35/43/09/594354309.db2.gz QNRLYQLKHMMHMK-BBRMVZONSA-N 2 2 330.436 1.628 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000826167777 594359166 /nfs/dbraw/zinc/35/91/66/594359166.db2.gz QSMIRWOYCCJACS-SWLSCSKDSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000826167777 594359168 /nfs/dbraw/zinc/35/91/68/594359168.db2.gz QSMIRWOYCCJACS-SWLSCSKDSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000826167777 594359171 /nfs/dbraw/zinc/35/91/71/594359171.db2.gz QSMIRWOYCCJACS-SWLSCSKDSA-N 2 2 330.436 1.790 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000826167777 594359173 /nfs/dbraw/zinc/35/91/73/594359173.db2.gz QSMIRWOYCCJACS-SWLSCSKDSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000826181624 594365476 /nfs/dbraw/zinc/36/54/76/594365476.db2.gz HYVJBOAEFLFRFQ-CYBMUJFWSA-N 2 2 330.436 1.649 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000826181624 594365479 /nfs/dbraw/zinc/36/54/79/594365479.db2.gz HYVJBOAEFLFRFQ-CYBMUJFWSA-N 2 2 330.436 1.649 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000826181624 594365480 /nfs/dbraw/zinc/36/54/80/594365480.db2.gz HYVJBOAEFLFRFQ-CYBMUJFWSA-N 2 2 330.436 1.649 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000826181624 594365483 /nfs/dbraw/zinc/36/54/83/594365483.db2.gz HYVJBOAEFLFRFQ-CYBMUJFWSA-N 2 2 330.436 1.649 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826194690 594372485 /nfs/dbraw/zinc/37/24/85/594372485.db2.gz SSMDHZCAKFQRQP-CYBMUJFWSA-N 2 2 339.403 1.978 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826194690 594372486 /nfs/dbraw/zinc/37/24/86/594372486.db2.gz SSMDHZCAKFQRQP-CYBMUJFWSA-N 2 2 339.403 1.978 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000826640417 594545094 /nfs/dbraw/zinc/54/50/94/594545094.db2.gz VQGGNJKFWVODQF-QGZVFWFLSA-N 2 2 347.459 1.475 20 0 EDADLP CN(C(=O)[C@H](O)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831162912 594572599 /nfs/dbraw/zinc/57/25/99/594572599.db2.gz AQWTZESRWPJCFQ-FGTMMUONSA-N 2 2 337.508 1.553 20 0 EDADLP CN(C(=O)[C@H](O)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831162912 594572601 /nfs/dbraw/zinc/57/26/01/594572601.db2.gz AQWTZESRWPJCFQ-FGTMMUONSA-N 2 2 337.508 1.553 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000829236531 594585868 /nfs/dbraw/zinc/58/58/68/594585868.db2.gz WOISXZBDDXFMBP-CQSZACIVSA-N 2 2 332.448 1.085 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000829236531 594585870 /nfs/dbraw/zinc/58/58/70/594585870.db2.gz WOISXZBDDXFMBP-CQSZACIVSA-N 2 2 332.448 1.085 20 0 EDADLP CC[NH+](CC)CCSCC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000829441845 594613892 /nfs/dbraw/zinc/61/38/92/594613892.db2.gz OGVYPFRTJXZTER-UHFFFAOYSA-N 2 2 325.482 1.342 20 0 EDADLP CC[NH+](CC)CCSCC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000829441845 594613895 /nfs/dbraw/zinc/61/38/95/594613895.db2.gz OGVYPFRTJXZTER-UHFFFAOYSA-N 2 2 325.482 1.342 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000827093484 594639323 /nfs/dbraw/zinc/63/93/23/594639323.db2.gz GXVCVRQOQCJGQH-MRXNPFEDSA-N 2 2 327.432 1.860 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000827093484 594639324 /nfs/dbraw/zinc/63/93/24/594639324.db2.gz GXVCVRQOQCJGQH-MRXNPFEDSA-N 2 2 327.432 1.860 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+](CCN2CCOCC2)CC2CC2)s1 ZINC000827520094 594678287 /nfs/dbraw/zinc/67/82/87/594678287.db2.gz YSROIXUGQXNWTE-UHFFFAOYSA-N 2 2 338.521 1.749 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+](CCN2CCOCC2)CC2CC2)s1 ZINC000827520094 594678288 /nfs/dbraw/zinc/67/82/88/594678288.db2.gz YSROIXUGQXNWTE-UHFFFAOYSA-N 2 2 338.521 1.749 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000841672478 594933625 /nfs/dbraw/zinc/93/36/25/594933625.db2.gz GGMXHBMKCOHKQW-GJZGRUSLSA-N 2 2 328.420 1.584 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](CC(C)(C)C)C3=O)C2)CC1 ZINC000843312399 595071624 /nfs/dbraw/zinc/07/16/24/595071624.db2.gz YPBRHTNQTMAKKU-HUUCEWRRSA-N 2 2 336.480 1.512 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](CC(C)(C)C)C3=O)C2)CC1 ZINC000843312399 595071628 /nfs/dbraw/zinc/07/16/28/595071628.db2.gz YPBRHTNQTMAKKU-HUUCEWRRSA-N 2 2 336.480 1.512 20 0 EDADLP CC[N@@H+]1CCO[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)C1 ZINC000842496766 595122363 /nfs/dbraw/zinc/12/23/63/595122363.db2.gz WJROUVSHMZTAHP-CYBMUJFWSA-N 2 2 326.360 1.711 20 0 EDADLP CC[N@H+]1CCO[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)C1 ZINC000842496766 595122366 /nfs/dbraw/zinc/12/23/66/595122366.db2.gz WJROUVSHMZTAHP-CYBMUJFWSA-N 2 2 326.360 1.711 20 0 EDADLP COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000842966925 595248345 /nfs/dbraw/zinc/24/83/45/595248345.db2.gz QRVHDOABAPXHPJ-BBRMVZONSA-N 2 2 333.388 1.227 20 0 EDADLP COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000842966925 595248348 /nfs/dbraw/zinc/24/83/48/595248348.db2.gz QRVHDOABAPXHPJ-BBRMVZONSA-N 2 2 333.388 1.227 20 0 EDADLP [NH3+]CCCCCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000843050153 595274821 /nfs/dbraw/zinc/27/48/21/595274821.db2.gz FDULPNSPPBKWGK-UHFFFAOYSA-N 2 2 329.404 1.446 20 0 EDADLP O=C(CO[C@H]1CCC[NH2+]C1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000844177392 595293580 /nfs/dbraw/zinc/29/35/80/595293580.db2.gz ICVREPZEQQIBAP-HNNXBMFYSA-N 2 2 344.415 1.669 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000844182344 595294368 /nfs/dbraw/zinc/29/43/68/595294368.db2.gz JPCKONOOSPSDLY-LPHOPBHVSA-N 2 2 345.487 1.863 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844184314 595295488 /nfs/dbraw/zinc/29/54/88/595295488.db2.gz IQDSHASIAWBYRA-QGZVFWFLSA-N 2 2 342.443 1.658 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)cn1 ZINC000843185088 595300861 /nfs/dbraw/zinc/30/08/61/595300861.db2.gz OGRSXQJTJIELPR-ZDUSSCGKSA-N 2 2 326.360 1.157 20 0 EDADLP C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000844225574 595309054 /nfs/dbraw/zinc/30/90/54/595309054.db2.gz RMPABMRXQDXJRV-WMLDXEAASA-N 2 2 345.491 1.536 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000846876868 595330842 /nfs/dbraw/zinc/33/08/42/595330842.db2.gz YTLPEBPBNRQBLP-AWEZNQCLSA-N 2 2 335.452 1.789 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000848408935 595374538 /nfs/dbraw/zinc/37/45/38/595374538.db2.gz GOPATZABBMTSHK-UHFFFAOYSA-N 2 2 326.360 1.379 20 0 EDADLP CCOC(=O)CC[N@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C(C)C ZINC000848500834 595397708 /nfs/dbraw/zinc/39/77/08/595397708.db2.gz AVQCTOUGABRCBF-AWEZNQCLSA-N 2 2 336.436 1.357 20 0 EDADLP CCOC(=O)CC[N@@H+](CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C(C)C ZINC000848500834 595397711 /nfs/dbraw/zinc/39/77/11/595397711.db2.gz AVQCTOUGABRCBF-AWEZNQCLSA-N 2 2 336.436 1.357 20 0 EDADLP C[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563608 595406067 /nfs/dbraw/zinc/40/60/67/595406067.db2.gz WTLUCIVEHMMGQW-MCIONIFRSA-N 2 2 326.510 1.792 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000845201380 595460113 /nfs/dbraw/zinc/46/01/13/595460113.db2.gz KWUZZHFUMYXJMJ-INIZCTEOSA-N 2 2 327.432 1.488 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000845201380 595460114 /nfs/dbraw/zinc/46/01/14/595460114.db2.gz KWUZZHFUMYXJMJ-INIZCTEOSA-N 2 2 327.432 1.488 20 0 EDADLP Cc1[nH]ncc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849071540 595477915 /nfs/dbraw/zinc/47/79/15/595477915.db2.gz DZYZSIOZTDWQST-UHFFFAOYSA-N 2 2 326.448 1.997 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C=C2CC[NH2+]CC2)[NH+]2CCOCC2)cc1 ZINC000852860664 595582002 /nfs/dbraw/zinc/58/20/02/595582002.db2.gz HZDAEEUJNOPQHQ-IBGZPJMESA-N 2 2 343.471 1.794 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000855113018 595599772 /nfs/dbraw/zinc/59/97/72/595599772.db2.gz BURFVSTWRIVVOX-HNNXBMFYSA-N 2 2 333.436 1.581 20 0 EDADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N[C@H]1CCn2cc[nH+]c21 ZINC000850765288 595625774 /nfs/dbraw/zinc/62/57/74/595625774.db2.gz VRTRTMVQIZRNKG-LSDHHAIUSA-N 2 2 327.388 1.811 20 0 EDADLP Cn1ccnc1[C@](O)(C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858135358 595709275 /nfs/dbraw/zinc/70/92/75/595709275.db2.gz SBDKOMZRUSMKNZ-BXUZGUMPSA-N 2 2 334.386 1.632 20 0 EDADLP Cn1ccnc1[C@](O)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858135358 595709276 /nfs/dbraw/zinc/70/92/76/595709276.db2.gz SBDKOMZRUSMKNZ-BXUZGUMPSA-N 2 2 334.386 1.632 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CC1(Cl)Cl ZINC000853238973 595717135 /nfs/dbraw/zinc/71/71/35/595717135.db2.gz WNTGJIZUXLZWMB-LLVKDONJSA-N 2 2 325.284 1.363 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CC1(Cl)Cl ZINC000853238973 595717137 /nfs/dbraw/zinc/71/71/37/595717137.db2.gz WNTGJIZUXLZWMB-LLVKDONJSA-N 2 2 325.284 1.363 20 0 EDADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CC[N@H+](C)C1 ZINC000853270487 595724756 /nfs/dbraw/zinc/72/47/56/595724756.db2.gz YZTMQPGFRWQBSA-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CC[N@@H+](C)C1 ZINC000853270487 595724759 /nfs/dbraw/zinc/72/47/59/595724759.db2.gz YZTMQPGFRWQBSA-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](C)CO1 ZINC000853461859 595756795 /nfs/dbraw/zinc/75/67/95/595756795.db2.gz AWPMNEAPMOJDRQ-HUUCEWRRSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](C)CO1 ZINC000853461859 595756799 /nfs/dbraw/zinc/75/67/99/595756799.db2.gz AWPMNEAPMOJDRQ-HUUCEWRRSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000858602267 595839819 /nfs/dbraw/zinc/83/98/19/595839819.db2.gz VGDUBUIVTAPTTF-ZBFHGGJFSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000858602267 595839820 /nfs/dbraw/zinc/83/98/20/595839820.db2.gz VGDUBUIVTAPTTF-ZBFHGGJFSA-N 2 2 341.496 1.678 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858635114 595851763 /nfs/dbraw/zinc/85/17/63/595851763.db2.gz VDAOZXDLCAYIBB-LJQANCHMSA-N 2 2 326.444 1.802 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)CO1 ZINC000853823736 595892554 /nfs/dbraw/zinc/89/25/54/595892554.db2.gz IKCFHPDVNRIINU-KLHDSHLOSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)CO1 ZINC000853823736 595892558 /nfs/dbraw/zinc/89/25/58/595892558.db2.gz IKCFHPDVNRIINU-KLHDSHLOSA-N 2 2 326.485 1.268 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000854211226 596004771 /nfs/dbraw/zinc/00/47/71/596004771.db2.gz FULJFIQDPLWSBJ-LSDHHAIUSA-N 2 2 336.883 1.874 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000854211226 596004774 /nfs/dbraw/zinc/00/47/74/596004774.db2.gz FULJFIQDPLWSBJ-LSDHHAIUSA-N 2 2 336.883 1.874 20 0 EDADLP COC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599736 596030383 /nfs/dbraw/zinc/03/03/83/596030383.db2.gz RWIDDAJRBZOROJ-RHSMWYFYSA-N 2 2 335.448 1.936 20 0 EDADLP COC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599736 596030387 /nfs/dbraw/zinc/03/03/87/596030387.db2.gz RWIDDAJRBZOROJ-RHSMWYFYSA-N 2 2 335.448 1.936 20 0 EDADLP COC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856599736 596030392 /nfs/dbraw/zinc/03/03/92/596030392.db2.gz RWIDDAJRBZOROJ-RHSMWYFYSA-N 2 2 335.448 1.936 20 0 EDADLP COC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856599736 596030397 /nfs/dbraw/zinc/03/03/97/596030397.db2.gz RWIDDAJRBZOROJ-RHSMWYFYSA-N 2 2 335.448 1.936 20 0 EDADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599742 596030955 /nfs/dbraw/zinc/03/09/55/596030955.db2.gz RWIDDAJRBZOROJ-YOEHRIQHSA-N 2 2 335.448 1.936 20 0 EDADLP COC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599742 596030960 /nfs/dbraw/zinc/03/09/60/596030960.db2.gz RWIDDAJRBZOROJ-YOEHRIQHSA-N 2 2 335.448 1.936 20 0 EDADLP COC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856599742 596030964 /nfs/dbraw/zinc/03/09/64/596030964.db2.gz RWIDDAJRBZOROJ-YOEHRIQHSA-N 2 2 335.448 1.936 20 0 EDADLP COC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856599742 596030968 /nfs/dbraw/zinc/03/09/68/596030968.db2.gz RWIDDAJRBZOROJ-YOEHRIQHSA-N 2 2 335.448 1.936 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000857112393 596160187 /nfs/dbraw/zinc/16/01/87/596160187.db2.gz BPIMFTZTUNCHPE-IRXDYDNUSA-N 2 2 348.491 1.656 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCC[C@H](C)[NH3+])CC2)cc1 ZINC000857114423 596160364 /nfs/dbraw/zinc/16/03/64/596160364.db2.gz UIOQBGOKGFCMCU-HNNXBMFYSA-N 2 2 334.464 1.650 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852448086 596166762 /nfs/dbraw/zinc/16/67/62/596166762.db2.gz BWYPGMYXAAWHLA-MRXNPFEDSA-N 2 2 341.496 1.773 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852448086 596166765 /nfs/dbraw/zinc/16/67/65/596166765.db2.gz BWYPGMYXAAWHLA-MRXNPFEDSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852448086 596166768 /nfs/dbraw/zinc/16/67/68/596166768.db2.gz BWYPGMYXAAWHLA-MRXNPFEDSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852448086 596166770 /nfs/dbraw/zinc/16/67/70/596166770.db2.gz BWYPGMYXAAWHLA-MRXNPFEDSA-N 2 2 341.496 1.773 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OCC(C)COC(=O)Cn1c[nH+]cc1C ZINC000859947696 596232395 /nfs/dbraw/zinc/23/23/95/596232395.db2.gz CSFBAMYHBFOSPP-UHFFFAOYSA-N 2 2 334.376 1.119 20 0 EDADLP O=C([C@H]1CCCN(CC(F)F)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868631179 596253176 /nfs/dbraw/zinc/25/31/76/596253176.db2.gz GXWGJLJCWHPCLS-LSDHHAIUSA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868631179 596253179 /nfs/dbraw/zinc/25/31/79/596253179.db2.gz GXWGJLJCWHPCLS-LSDHHAIUSA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868631179 596253183 /nfs/dbraw/zinc/25/31/83/596253183.db2.gz GXWGJLJCWHPCLS-LSDHHAIUSA-N 2 2 345.434 1.287 20 0 EDADLP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000866667731 596285985 /nfs/dbraw/zinc/28/59/85/596285985.db2.gz WRXABIAQBXFVJX-LBPRGKRZSA-N 2 2 325.840 1.761 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000866776474 596338286 /nfs/dbraw/zinc/33/82/86/596338286.db2.gz HDQPACFFSUPDKE-BBRMVZONSA-N 2 2 330.407 1.959 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000866776474 596338289 /nfs/dbraw/zinc/33/82/89/596338289.db2.gz HDQPACFFSUPDKE-BBRMVZONSA-N 2 2 330.407 1.959 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870854561 596378323 /nfs/dbraw/zinc/37/83/23/596378323.db2.gz LFXYODYMYIHYSE-QPIRBTGLSA-N 2 2 343.471 1.536 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870854561 596378326 /nfs/dbraw/zinc/37/83/26/596378326.db2.gz LFXYODYMYIHYSE-QPIRBTGLSA-N 2 2 343.471 1.536 20 0 EDADLP CCCC[C@@H]1NC(=O)N(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000121617445 596378735 /nfs/dbraw/zinc/37/87/35/596378735.db2.gz GEQWINMDSZWYFA-SOUVJXGZSA-N 2 2 333.436 1.834 20 0 EDADLP CCCC[C@@H]1NC(=O)N(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000121617445 596378737 /nfs/dbraw/zinc/37/87/37/596378737.db2.gz GEQWINMDSZWYFA-SOUVJXGZSA-N 2 2 333.436 1.834 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870864674 596381794 /nfs/dbraw/zinc/38/17/94/596381794.db2.gz IYTAMLOTAULGEM-GXFFZTMASA-N 2 2 337.221 1.850 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)c[nH+]2)C[C@@H](C)O1 ZINC000870866109 596382910 /nfs/dbraw/zinc/38/29/10/596382910.db2.gz NUUVKWZIFLASRK-SRABZTEZSA-N 2 2 346.475 1.829 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000870879928 596387611 /nfs/dbraw/zinc/38/76/11/596387611.db2.gz KYHVHJIHNQIIRI-UHFFFAOYSA-N 2 2 334.489 1.710 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000870879928 596387612 /nfs/dbraw/zinc/38/76/12/596387612.db2.gz KYHVHJIHNQIIRI-UHFFFAOYSA-N 2 2 334.489 1.710 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000870979549 596426670 /nfs/dbraw/zinc/42/66/70/596426670.db2.gz OORUEAYQYSRBHZ-MSOLQXFVSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C[C@H]3CC[NH2+]C3)C2)cc1 ZINC000870979549 596426672 /nfs/dbraw/zinc/42/66/72/596426672.db2.gz OORUEAYQYSRBHZ-MSOLQXFVSA-N 2 2 331.460 1.312 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)CC1 ZINC000870982056 596429279 /nfs/dbraw/zinc/42/92/79/596429279.db2.gz WSEYKBFDNGORIT-GOSISDBHSA-N 2 2 348.466 1.106 20 0 EDADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000865076952 596466190 /nfs/dbraw/zinc/46/61/90/596466190.db2.gz WUYBXCKKVJYCNX-KRWDZBQOSA-N 2 2 343.431 1.004 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](CC(F)F)C2)CC[N@@H+]1CC(C)(C)O ZINC000867655492 596482984 /nfs/dbraw/zinc/48/29/84/596482984.db2.gz XCOWIQONWVBMHU-KBPBESRZSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](CC(F)F)C2)CC[N@H+]1CC(C)(C)O ZINC000867655492 596482987 /nfs/dbraw/zinc/48/29/87/596482987.db2.gz XCOWIQONWVBMHU-KBPBESRZSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC[NH+]1CC(C)(C)O ZINC000867655492 596482989 /nfs/dbraw/zinc/48/29/89/596482989.db2.gz XCOWIQONWVBMHU-KBPBESRZSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC[NH+]1CC(C)(C)O ZINC000867655492 596482992 /nfs/dbraw/zinc/48/29/92/596482992.db2.gz XCOWIQONWVBMHU-KBPBESRZSA-N 2 2 347.450 1.267 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000865261697 596526730 /nfs/dbraw/zinc/52/67/30/596526730.db2.gz XXOPYPWFGFAVGU-UHFFFAOYSA-N 2 2 328.526 1.046 20 0 EDADLP CCCNc1cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nc[nH+]1 ZINC000865432389 596573260 /nfs/dbraw/zinc/57/32/60/596573260.db2.gz BZHKRBIVBDNRLY-UHFFFAOYSA-N 2 2 346.479 1.433 20 0 EDADLP CCCNc1cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nc[nH+]1 ZINC000865432389 596573263 /nfs/dbraw/zinc/57/32/63/596573263.db2.gz BZHKRBIVBDNRLY-UHFFFAOYSA-N 2 2 346.479 1.433 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H]2C[N@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000863548732 596614439 /nfs/dbraw/zinc/61/44/39/596614439.db2.gz SGXRQMYALOPIAM-KRWDZBQOSA-N 2 2 340.489 1.983 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H]2C[N@@H+](CCCCCC[NH3+])CCO2)cc1 ZINC000863548732 596614441 /nfs/dbraw/zinc/61/44/41/596614441.db2.gz SGXRQMYALOPIAM-KRWDZBQOSA-N 2 2 340.489 1.983 20 0 EDADLP COCC[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)NC(=O)OC(C)(C)C ZINC000865573682 596615515 /nfs/dbraw/zinc/61/55/15/596615515.db2.gz KEVOPJNAQDRIHN-CHWSQXEVSA-N 2 2 338.452 1.786 20 0 EDADLP COCC[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)NC(=O)OC(C)(C)C ZINC000865573682 596615517 /nfs/dbraw/zinc/61/55/17/596615517.db2.gz KEVOPJNAQDRIHN-CHWSQXEVSA-N 2 2 338.452 1.786 20 0 EDADLP CCOc1cc(C[N@H+](C)C[C@H](C)[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000863652953 596644590 /nfs/dbraw/zinc/64/45/90/596644590.db2.gz ZYQPGJUGUIOGDZ-UONOGXRCSA-N 2 2 337.464 1.720 20 0 EDADLP CCOc1cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000863652953 596644593 /nfs/dbraw/zinc/64/45/93/596644593.db2.gz ZYQPGJUGUIOGDZ-UONOGXRCSA-N 2 2 337.464 1.720 20 0 EDADLP CN(C(=O)c1ccc(F)c(C=O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728312 596661552 /nfs/dbraw/zinc/66/15/52/596661552.db2.gz SLDJOFIWQVHBBW-QGZVFWFLSA-N 2 2 347.434 1.879 20 0 EDADLP CN(C(=O)c1ccc(F)c(C=O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728312 596661554 /nfs/dbraw/zinc/66/15/54/596661554.db2.gz SLDJOFIWQVHBBW-QGZVFWFLSA-N 2 2 347.434 1.879 20 0 EDADLP Cn1c[nH+]cc1CCO[NH+]=C(N)[C@H]1CCC(=O)N(CC2CCCC2)C1 ZINC000871766947 596689470 /nfs/dbraw/zinc/68/94/70/596689470.db2.gz FWCNNTRFMWFDJQ-HNNXBMFYSA-N 2 2 347.463 1.890 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)Nc3ccc4c(c3)OCC[NH2+]C4)cc2C1 ZINC000868172185 596710002 /nfs/dbraw/zinc/71/00/02/596710002.db2.gz IAXOYZSAUVRTRN-UHFFFAOYSA-N 2 2 342.403 1.455 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@H]1C[NH+](C)C ZINC000870023950 596713994 /nfs/dbraw/zinc/71/39/94/596713994.db2.gz PNKRHIGOTLDJJA-HZPDHXFCSA-N 3 2 343.475 1.075 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccnn2-c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000868197991 596720163 /nfs/dbraw/zinc/72/01/63/596720163.db2.gz PYPNSBQSRKJGGZ-CQSZACIVSA-N 2 2 332.383 1.118 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccnn2-c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000868197991 596720166 /nfs/dbraw/zinc/72/01/66/596720166.db2.gz PYPNSBQSRKJGGZ-CQSZACIVSA-N 2 2 332.383 1.118 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[NH2+]2)c1 ZINC000870152225 596775653 /nfs/dbraw/zinc/77/56/53/596775653.db2.gz INRHKJJSLLLYCU-MAUKXSAKSA-N 2 2 340.427 1.627 20 0 EDADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H]1CCCOC1 ZINC000872071799 596801895 /nfs/dbraw/zinc/80/18/95/596801895.db2.gz XVZPBHXQJUJFJU-AJYUKVHDSA-N 2 2 337.508 1.865 20 0 EDADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1CCCOC1 ZINC000872071799 596801897 /nfs/dbraw/zinc/80/18/97/596801897.db2.gz XVZPBHXQJUJFJU-AJYUKVHDSA-N 2 2 337.508 1.865 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000872152825 596814251 /nfs/dbraw/zinc/81/42/51/596814251.db2.gz VQHSXAMOXCXFSD-HNAYVOBHSA-N 2 2 347.459 1.204 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000872152825 596814252 /nfs/dbraw/zinc/81/42/52/596814252.db2.gz VQHSXAMOXCXFSD-HNAYVOBHSA-N 2 2 347.459 1.204 20 0 EDADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866200115 596825102 /nfs/dbraw/zinc/82/51/02/596825102.db2.gz HJVCMSCQNMLENT-NVXWUHKLSA-N 2 2 328.416 1.424 20 0 EDADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866200115 596825103 /nfs/dbraw/zinc/82/51/03/596825103.db2.gz HJVCMSCQNMLENT-NVXWUHKLSA-N 2 2 328.416 1.424 20 0 EDADLP CN1CC[NH+](C2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)CC1 ZINC000866211162 596829118 /nfs/dbraw/zinc/82/91/18/596829118.db2.gz BEVRNDGLFPWDJH-UHFFFAOYSA-N 2 2 344.507 1.683 20 0 EDADLP Cc1nc(N2CCC([NH+]3CCN(C)CC3)CC2)c2c([nH+]1)CCCC2 ZINC000866213649 596829850 /nfs/dbraw/zinc/82/98/50/596829850.db2.gz ZHGZIDRKIMWVIC-UHFFFAOYSA-N 2 2 329.492 1.880 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000870332776 596841529 /nfs/dbraw/zinc/84/15/29/596841529.db2.gz YGSOVNVZNSWOKH-OLZOCXBDSA-N 2 2 347.431 1.028 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000870332776 596841531 /nfs/dbraw/zinc/84/15/31/596841531.db2.gz YGSOVNVZNSWOKH-OLZOCXBDSA-N 2 2 347.431 1.028 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872225547 596843899 /nfs/dbraw/zinc/84/38/99/596843899.db2.gz CNPCNPRSSIXMQC-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000872225547 596843903 /nfs/dbraw/zinc/84/39/03/596843903.db2.gz CNPCNPRSSIXMQC-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000872225547 596843907 /nfs/dbraw/zinc/84/39/07/596843907.db2.gz CNPCNPRSSIXMQC-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC[C@H](O)C[NH+](C)C2CC2)C1 ZINC000872225547 596843909 /nfs/dbraw/zinc/84/39/09/596843909.db2.gz CNPCNPRSSIXMQC-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1CN1CCO[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872225547 596843912 /nfs/dbraw/zinc/84/39/12/596843912.db2.gz CNPCNPRSSIXMQC-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1CN1CCO[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000872225547 596843916 /nfs/dbraw/zinc/84/39/16/596843916.db2.gz CNPCNPRSSIXMQC-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)cc2[nH+]1 ZINC000874366129 597039006 /nfs/dbraw/zinc/03/90/06/597039006.db2.gz HAKZKJFBLCLLOU-CABCVRRESA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)cc2[nH+]1 ZINC000874366129 597039010 /nfs/dbraw/zinc/03/90/10/597039010.db2.gz HAKZKJFBLCLLOU-CABCVRRESA-N 2 2 341.415 1.276 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872978491 597148420 /nfs/dbraw/zinc/14/84/20/597148420.db2.gz AGUFGFHATQKDCJ-UHFFFAOYSA-N 2 2 347.463 1.235 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874890808 597211275 /nfs/dbraw/zinc/21/12/75/597211275.db2.gz ZQMBKJDAVSZOMM-RHSMWYFYSA-N 2 2 328.391 1.758 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H](Cc2cccnc2)C2CCCC2)[C@@H](C[NH3+])C1 ZINC000876541870 597233459 /nfs/dbraw/zinc/23/34/59/597233459.db2.gz IDMXUXLRZRDKRB-ROUUACIJSA-N 2 2 330.476 1.532 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H](Cc2cccnc2)C2CCCC2)[C@@H](C[NH3+])C1 ZINC000876541870 597233460 /nfs/dbraw/zinc/23/34/60/597233460.db2.gz IDMXUXLRZRDKRB-ROUUACIJSA-N 2 2 330.476 1.532 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000875041324 597256554 /nfs/dbraw/zinc/25/65/54/597256554.db2.gz MFGXIOZILGDEHG-HNNXBMFYSA-N 2 2 345.447 1.021 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000875041324 597256556 /nfs/dbraw/zinc/25/65/56/597256556.db2.gz MFGXIOZILGDEHG-HNNXBMFYSA-N 2 2 345.447 1.021 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000875072595 597270247 /nfs/dbraw/zinc/27/02/47/597270247.db2.gz CJBIVWQGWVNSFH-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000875126988 597292626 /nfs/dbraw/zinc/29/26/26/597292626.db2.gz GKUSWAQFNSMZKI-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000875126988 597292627 /nfs/dbraw/zinc/29/26/27/597292627.db2.gz GKUSWAQFNSMZKI-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000876740440 597315813 /nfs/dbraw/zinc/31/58/13/597315813.db2.gz DKILRPJPRGMDCX-DRJMZUFCSA-N 3 2 334.508 1.073 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000875296131 597373588 /nfs/dbraw/zinc/37/35/88/597373588.db2.gz SXYDKCRAZOEWMD-WBVHZDCISA-N 2 2 341.459 1.812 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000875296131 597373591 /nfs/dbraw/zinc/37/35/91/597373591.db2.gz SXYDKCRAZOEWMD-WBVHZDCISA-N 2 2 341.459 1.812 20 0 EDADLP COc1ccccc1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1[nH+]ccn1C ZINC000873898397 597439402 /nfs/dbraw/zinc/43/94/02/597439402.db2.gz PDJKDRXANMOOMI-KSSFIOAISA-N 2 2 342.443 1.976 20 0 EDADLP COc1ccccc1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000873898397 597439405 /nfs/dbraw/zinc/43/94/05/597439405.db2.gz PDJKDRXANMOOMI-KSSFIOAISA-N 2 2 342.443 1.976 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000873965400 597473004 /nfs/dbraw/zinc/47/30/04/597473004.db2.gz WUKMSXKDRYYMHQ-INIZCTEOSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000873965400 597473007 /nfs/dbraw/zinc/47/30/07/597473007.db2.gz WUKMSXKDRYYMHQ-INIZCTEOSA-N 2 2 325.416 1.900 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877247415 597477626 /nfs/dbraw/zinc/47/76/26/597477626.db2.gz KGUXAFRELQXIMZ-ZFWWWQNUSA-N 2 2 327.350 1.831 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000877247415 597477627 /nfs/dbraw/zinc/47/76/27/597477627.db2.gz KGUXAFRELQXIMZ-ZFWWWQNUSA-N 2 2 327.350 1.831 20 0 EDADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000877341580 597496039 /nfs/dbraw/zinc/49/60/39/597496039.db2.gz UUNWECKXYMUMEL-PKOBYXMFSA-N 2 2 343.471 1.461 20 0 EDADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000877341580 597496042 /nfs/dbraw/zinc/49/60/42/597496042.db2.gz UUNWECKXYMUMEL-PKOBYXMFSA-N 2 2 343.471 1.461 20 0 EDADLP COc1cnc(F)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000877527950 597531269 /nfs/dbraw/zinc/53/12/69/597531269.db2.gz PQOQRNCVQSERNY-SJPCQFCGSA-N 2 2 348.466 1.972 20 0 EDADLP COc1cnc(F)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000877527950 597531270 /nfs/dbraw/zinc/53/12/70/597531270.db2.gz PQOQRNCVQSERNY-SJPCQFCGSA-N 2 2 348.466 1.972 20 0 EDADLP Cc1ccc2[nH+]c(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cn2c1 ZINC000877670088 597546601 /nfs/dbraw/zinc/54/66/01/597546601.db2.gz HGHHCDMADHNRBA-IAGOWNOFSA-N 3 2 329.492 1.814 20 0 EDADLP CC[N@H+](CCc1nnnn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878151212 597582374 /nfs/dbraw/zinc/58/23/74/597582374.db2.gz VIOLKIXZEVXHLH-UHFFFAOYSA-N 2 2 329.452 1.386 20 0 EDADLP CC[N@@H+](CCc1nnnn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000878151212 597582375 /nfs/dbraw/zinc/58/23/75/597582375.db2.gz VIOLKIXZEVXHLH-UHFFFAOYSA-N 2 2 329.452 1.386 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000879594029 597649865 /nfs/dbraw/zinc/64/98/65/597649865.db2.gz VUIQBNJVNPACRQ-UHFFFAOYSA-N 2 2 349.450 1.824 20 0 EDADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879595432 597650732 /nfs/dbraw/zinc/65/07/32/597650732.db2.gz CBKHQWJHDWEIFN-MRXNPFEDSA-N 2 2 325.497 1.819 20 0 EDADLP c1c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nnn1C[C@@H]1CCOC1 ZINC000878749112 597699209 /nfs/dbraw/zinc/69/92/09/597699209.db2.gz XCTCPLQTQYVSKJ-INIZCTEOSA-N 2 2 342.447 1.422 20 0 EDADLP c1c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nnn1C[C@@H]1CCOC1 ZINC000878749112 597699212 /nfs/dbraw/zinc/69/92/12/597699212.db2.gz XCTCPLQTQYVSKJ-INIZCTEOSA-N 2 2 342.447 1.422 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n(C)n1 ZINC000883371253 597725780 /nfs/dbraw/zinc/72/57/80/597725780.db2.gz CMENKYWLMBAUKR-IAGOWNOFSA-N 2 2 335.496 1.176 20 0 EDADLP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000883372111 597726300 /nfs/dbraw/zinc/72/63/00/597726300.db2.gz MNFJHWAPXXYOSQ-IPMKNSEASA-N 2 2 339.524 1.578 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CC[C@@H](CF)C2)([NH+]2CCCCC2)CC1 ZINC000883467841 597760510 /nfs/dbraw/zinc/76/05/10/597760510.db2.gz AKONFTGNNGFHRH-INIZCTEOSA-N 2 2 340.487 1.938 20 0 EDADLP O=Cc1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000881873346 597767965 /nfs/dbraw/zinc/76/79/65/597767965.db2.gz WQQHTSSFJWJIAF-UHFFFAOYSA-N 2 2 326.404 1.308 20 0 EDADLP O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000879974329 597792800 /nfs/dbraw/zinc/79/28/00/597792800.db2.gz HFJMQZRZEIPKOQ-IXDOHACOSA-N 2 2 334.464 1.405 20 0 EDADLP O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000879974329 597792803 /nfs/dbraw/zinc/79/28/03/597792803.db2.gz HFJMQZRZEIPKOQ-IXDOHACOSA-N 2 2 334.464 1.405 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000880252761 597883372 /nfs/dbraw/zinc/88/33/72/597883372.db2.gz COFIKTYXTNTKSU-SFHVURJKSA-N 2 2 345.487 1.396 20 0 EDADLP C[C@H]1C[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CCN1c1cc[nH+]cc1 ZINC000880260145 597885826 /nfs/dbraw/zinc/88/58/26/597885826.db2.gz BKCPUGUIXAVCNY-YOEHRIQHSA-N 2 2 340.431 1.131 20 0 EDADLP C[C@H]1C[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CCN1c1cc[nH+]cc1 ZINC000880260145 597885828 /nfs/dbraw/zinc/88/58/28/597885828.db2.gz BKCPUGUIXAVCNY-YOEHRIQHSA-N 2 2 340.431 1.131 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](OC)(C(F)(F)F)C2)CC1 ZINC000880301422 597895334 /nfs/dbraw/zinc/89/53/34/597895334.db2.gz QIGKTCGFBRFTBA-AWEZNQCLSA-N 2 2 337.386 1.240 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](OC)(C(F)(F)F)C2)CC1 ZINC000880301422 597895336 /nfs/dbraw/zinc/89/53/36/597895336.db2.gz QIGKTCGFBRFTBA-AWEZNQCLSA-N 2 2 337.386 1.240 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568034 597966764 /nfs/dbraw/zinc/96/67/64/597966764.db2.gz RWHKCHDIJLBURR-OAHLLOKOSA-N 2 2 343.431 1.838 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000882500092 597978993 /nfs/dbraw/zinc/97/89/93/597978993.db2.gz MRWHYINQLMLGQV-INIZCTEOSA-N 2 2 340.493 1.600 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884189360 598020349 /nfs/dbraw/zinc/02/03/49/598020349.db2.gz DKPQEIWZIHVBJB-CJNGLKHVSA-N 2 2 331.416 1.140 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000884212470 598030780 /nfs/dbraw/zinc/03/07/80/598030780.db2.gz GIBNTCGZSFOXSM-LSDHHAIUSA-N 2 2 335.448 1.124 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000884401007 598094168 /nfs/dbraw/zinc/09/41/68/598094168.db2.gz BKJSYQCCFMFSBK-GJZGRUSLSA-N 2 2 335.448 1.124 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000884401007 598094171 /nfs/dbraw/zinc/09/41/71/598094171.db2.gz BKJSYQCCFMFSBK-GJZGRUSLSA-N 2 2 335.448 1.124 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccn2)[C@@H]1C ZINC000994297771 696726293 /nfs/dbraw/zinc/72/62/93/696726293.db2.gz JIGUEGSYNLXGSX-GDBMZVCRSA-N 2 2 327.432 1.825 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccn2)[C@@H]1C ZINC000994297771 696726295 /nfs/dbraw/zinc/72/62/95/696726295.db2.gz JIGUEGSYNLXGSX-GDBMZVCRSA-N 2 2 327.432 1.825 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992785520 695325884 /nfs/dbraw/zinc/32/58/84/695325884.db2.gz JYFVQZVIXJUOJE-USXIJHARSA-N 2 2 343.431 1.678 20 0 EDADLP C[NH+]1CCC(CC(=O)NC2C[NH+](CCc3ccccc3F)C2)CC1 ZINC001031050914 695385711 /nfs/dbraw/zinc/38/57/11/695385711.db2.gz BYDSVCXJBLLIKE-UHFFFAOYSA-N 2 2 333.451 1.901 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cc1F ZINC000939855926 699994132 /nfs/dbraw/zinc/99/41/32/699994132.db2.gz IRWKTVPAYLWGMQ-WMLDXEAASA-N 2 2 330.407 1.967 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046558105 695485637 /nfs/dbraw/zinc/48/56/37/695485637.db2.gz RRTYTLJXEZALKJ-FUHWJXTLSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046558105 695485640 /nfs/dbraw/zinc/48/56/40/695485640.db2.gz RRTYTLJXEZALKJ-FUHWJXTLSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1nocc1C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046558105 695485641 /nfs/dbraw/zinc/48/56/41/695485641.db2.gz RRTYTLJXEZALKJ-FUHWJXTLSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1nocc1C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046558105 695485644 /nfs/dbraw/zinc/48/56/44/695485644.db2.gz RRTYTLJXEZALKJ-FUHWJXTLSA-N 2 2 334.464 1.802 20 0 EDADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000915492382 695932505 /nfs/dbraw/zinc/93/25/05/695932505.db2.gz DRGOUEJGMBLZBS-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C)c1ccccc1C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031252613 696014311 /nfs/dbraw/zinc/01/43/11/696014311.db2.gz KBKQQOZNIUIVMP-OAHLLOKOSA-N 2 2 330.476 1.395 20 0 EDADLP CN(C)c1ccccc1C[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031252613 696014314 /nfs/dbraw/zinc/01/43/14/696014314.db2.gz KBKQQOZNIUIVMP-OAHLLOKOSA-N 2 2 330.476 1.395 20 0 EDADLP COc1cc[nH+]c(CN2CC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)c1 ZINC001031253753 696021915 /nfs/dbraw/zinc/02/19/15/696021915.db2.gz KEYMTZFWBLIYAI-YOEHRIQHSA-N 2 2 346.475 1.511 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@@H+]1CCF ZINC000994113488 696538612 /nfs/dbraw/zinc/53/86/12/696538612.db2.gz LDQSGRDJQPSBSP-CZUORRHYSA-N 2 2 331.395 1.820 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@H+]1CCF ZINC000994113488 696538614 /nfs/dbraw/zinc/53/86/14/696538614.db2.gz LDQSGRDJQPSBSP-CZUORRHYSA-N 2 2 331.395 1.820 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCC1CCOCC1 ZINC000994233073 696593163 /nfs/dbraw/zinc/59/31/63/696593163.db2.gz RECTWJCRYLWZTK-QAPCUYQASA-N 2 2 348.491 1.748 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCC1CCOCC1 ZINC000994233073 696593166 /nfs/dbraw/zinc/59/31/66/696593166.db2.gz RECTWJCRYLWZTK-QAPCUYQASA-N 2 2 348.491 1.748 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCc1ccns1 ZINC000994231524 696594440 /nfs/dbraw/zinc/59/44/40/696594440.db2.gz OCAROPZNYQEFMT-BBRMVZONSA-N 2 2 347.488 1.631 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCc1ccns1 ZINC000994231524 696594442 /nfs/dbraw/zinc/59/44/42/696594442.db2.gz OCAROPZNYQEFMT-BBRMVZONSA-N 2 2 347.488 1.631 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCc1cn2c([nH+]1)CCCC2 ZINC000916010694 696613117 /nfs/dbraw/zinc/61/31/17/696613117.db2.gz RJVAQHXVZDHOBW-OAHLLOKOSA-N 2 2 335.521 1.710 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCCc1cn2c([nH+]1)CCCC2 ZINC000916010694 696613119 /nfs/dbraw/zinc/61/31/19/696613119.db2.gz RJVAQHXVZDHOBW-OAHLLOKOSA-N 2 2 335.521 1.710 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)o1 ZINC000994412468 696838541 /nfs/dbraw/zinc/83/85/41/696838541.db2.gz VPKOMOKBVAMCMA-GDBMZVCRSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)o1 ZINC000994412468 696838543 /nfs/dbraw/zinc/83/85/43/696838543.db2.gz VPKOMOKBVAMCMA-GDBMZVCRSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)[C@@H]1C ZINC000994424078 696846271 /nfs/dbraw/zinc/84/62/71/696846271.db2.gz PURQSFFZOHGKJE-CZUORRHYSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2C)[C@@H]1C ZINC000994424078 696846275 /nfs/dbraw/zinc/84/62/75/696846275.db2.gz PURQSFFZOHGKJE-CZUORRHYSA-N 2 2 330.436 1.094 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000916979210 696868412 /nfs/dbraw/zinc/86/84/12/696868412.db2.gz JMGJFIIWFXOTIR-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000916979210 696868416 /nfs/dbraw/zinc/86/84/16/696868416.db2.gz JMGJFIIWFXOTIR-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1COc2ccccc2O1 ZINC000917047558 696883105 /nfs/dbraw/zinc/88/31/05/696883105.db2.gz NCVKWXGOMKQXCK-IRXDYDNUSA-N 2 2 334.460 1.995 20 0 EDADLP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1COc2ccccc2O1 ZINC000917047558 696883109 /nfs/dbraw/zinc/88/31/09/696883109.db2.gz NCVKWXGOMKQXCK-IRXDYDNUSA-N 2 2 334.460 1.995 20 0 EDADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994488557 696930353 /nfs/dbraw/zinc/93/03/53/696930353.db2.gz RBUFXYBQFRXFGH-RHSMWYFYSA-N 2 2 346.475 1.077 20 0 EDADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994488557 696930354 /nfs/dbraw/zinc/93/03/54/696930354.db2.gz RBUFXYBQFRXFGH-RHSMWYFYSA-N 2 2 346.475 1.077 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001031383397 697001661 /nfs/dbraw/zinc/00/16/61/697001661.db2.gz AOQZAMWNXYWMHA-OAHLLOKOSA-N 2 2 329.444 1.011 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001031383397 697001663 /nfs/dbraw/zinc/00/16/63/697001663.db2.gz AOQZAMWNXYWMHA-OAHLLOKOSA-N 2 2 329.444 1.011 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC001031388135 697008545 /nfs/dbraw/zinc/00/85/45/697008545.db2.gz LXNQUCMKHCNLGC-INIZCTEOSA-N 2 2 339.443 1.124 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC001031388135 697008548 /nfs/dbraw/zinc/00/85/48/697008548.db2.gz LXNQUCMKHCNLGC-INIZCTEOSA-N 2 2 339.443 1.124 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@@H]3CC[C@H]4C[C@H]43)C2)CC1 ZINC000918912857 697223402 /nfs/dbraw/zinc/22/34/02/697223402.db2.gz INVRNXFOPSMTLW-OVWQWFNUSA-N 2 2 334.508 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@@H]3CC[C@H]4C[C@H]43)C2)CC1 ZINC000918912857 697223403 /nfs/dbraw/zinc/22/34/03/697223403.db2.gz INVRNXFOPSMTLW-OVWQWFNUSA-N 2 2 334.508 1.890 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001031667041 697448238 /nfs/dbraw/zinc/44/82/38/697448238.db2.gz WJWDGDKUWLZPCX-RHSMWYFYSA-N 2 2 331.464 1.458 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001031681321 697504553 /nfs/dbraw/zinc/50/45/53/697504553.db2.gz MTQHKTGOTLYKIX-IJEWVQPXSA-N 2 2 331.464 1.234 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001031681321 697504554 /nfs/dbraw/zinc/50/45/54/697504554.db2.gz MTQHKTGOTLYKIX-IJEWVQPXSA-N 2 2 331.464 1.234 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C)ns2)C1 ZINC001031713816 697735876 /nfs/dbraw/zinc/73/58/76/697735876.db2.gz GBNUEEXSUOXZPR-MRXNPFEDSA-N 2 2 336.505 1.874 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C)ns2)C1 ZINC001031713816 697735881 /nfs/dbraw/zinc/73/58/81/697735881.db2.gz GBNUEEXSUOXZPR-MRXNPFEDSA-N 2 2 336.505 1.874 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccns3)C2)CC1 ZINC001032094828 698602251 /nfs/dbraw/zinc/60/22/51/698602251.db2.gz PHNXQRAUGYKRIN-UHFFFAOYSA-N 2 2 336.505 1.812 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756700 698833252 /nfs/dbraw/zinc/83/32/52/698833252.db2.gz UXMFWAWTSZONMM-ZBFHGGJFSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943756700 698833254 /nfs/dbraw/zinc/83/32/54/698833254.db2.gz UXMFWAWTSZONMM-ZBFHGGJFSA-N 2 2 349.479 1.437 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995154096 701555822 /nfs/dbraw/zinc/55/58/22/701555822.db2.gz RJZKTVUCMDSKNZ-DGCLKSJQSA-N 2 2 326.391 1.872 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)ccn1 ZINC000995155286 701563716 /nfs/dbraw/zinc/56/37/16/701563716.db2.gz UADJLPSWOVGNJY-DZGCQCFKSA-N 2 2 343.431 1.431 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766722 699065325 /nfs/dbraw/zinc/06/53/25/699065325.db2.gz MHCOVZGEVSXBGN-WMZOPIPTSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031766722 699065328 /nfs/dbraw/zinc/06/53/28/699065328.db2.gz MHCOVZGEVSXBGN-WMZOPIPTSA-N 2 2 343.475 1.350 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2C[C@]23CCOC3)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772692 699123036 /nfs/dbraw/zinc/12/30/36/699123036.db2.gz IPHLGLVSHFBQOF-BEFAXECRSA-N 2 2 340.427 1.651 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(CO)ccc2F)C1 ZINC001031777077 699161354 /nfs/dbraw/zinc/16/13/54/699161354.db2.gz VNSBWTQXKSOANV-GOSISDBHSA-N 2 2 349.450 1.350 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(CO)ccc2F)C1 ZINC001031777077 699161356 /nfs/dbraw/zinc/16/13/56/699161356.db2.gz VNSBWTQXKSOANV-GOSISDBHSA-N 2 2 349.450 1.350 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031784917 699220274 /nfs/dbraw/zinc/22/02/74/699220274.db2.gz ZESHTGAWZLGKNU-WBVHZDCISA-N 2 2 346.475 1.310 20 0 EDADLP CCOC1CC(C[NH+]2CC(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001031784933 699220285 /nfs/dbraw/zinc/22/02/85/699220285.db2.gz ZLRKIRTVDVWNAF-HQVVEAJESA-N 2 2 346.475 1.309 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1C[NH+](CCOC3CCC3)C1)C2 ZINC001031788978 699240761 /nfs/dbraw/zinc/24/07/61/699240761.db2.gz LKHHWPOCFKWZJR-OAHLLOKOSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1C[NH+](CCOC3CCC3)C1)CC2 ZINC001031788978 699240764 /nfs/dbraw/zinc/24/07/64/699240764.db2.gz LKHHWPOCFKWZJR-OAHLLOKOSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)on1 ZINC001031802917 699351936 /nfs/dbraw/zinc/35/19/36/699351936.db2.gz XRPCKQBDMRZIDZ-QGZVFWFLSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)on1 ZINC001031802917 699351937 /nfs/dbraw/zinc/35/19/37/699351937.db2.gz XRPCKQBDMRZIDZ-QGZVFWFLSA-N 2 2 334.464 1.651 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939210448 699358199 /nfs/dbraw/zinc/35/81/99/699358199.db2.gz OLLJOOXKIKCGDO-MLGOLLRUSA-N 2 2 346.406 1.737 20 0 EDADLP COc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1 ZINC000939210810 699358555 /nfs/dbraw/zinc/35/85/55/699358555.db2.gz PVAJWFGKBBSYIM-RDTXWAMCSA-N 2 2 342.443 1.640 20 0 EDADLP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1csnn1 ZINC000939259723 699437696 /nfs/dbraw/zinc/43/76/96/699437696.db2.gz VZBUHSWPOCRGHF-SWLSCSKDSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939411406 699565031 /nfs/dbraw/zinc/56/50/31/699565031.db2.gz DBLDJLKAPMOHCN-BBRMVZONSA-N 2 2 328.416 1.081 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000939413953 699566891 /nfs/dbraw/zinc/56/68/91/699566891.db2.gz SJWLVPZZDMOFNZ-DZGCQCFKSA-N 2 2 344.463 1.540 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC000939535299 699676275 /nfs/dbraw/zinc/67/62/75/699676275.db2.gz PGBPMNUOLDCWCI-RISCZKNCSA-N 2 2 333.461 1.364 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939537358 699678243 /nfs/dbraw/zinc/67/82/43/699678243.db2.gz ZSXGPPDWFZUISJ-RHSMWYFYSA-N 2 2 327.432 1.303 20 0 EDADLP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939621752 699758067 /nfs/dbraw/zinc/75/80/67/699758067.db2.gz CZAHGZCZSJFFNO-MLGOLLRUSA-N 2 2 343.431 1.301 20 0 EDADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939623957 699761288 /nfs/dbraw/zinc/76/12/88/699761288.db2.gz VMDPNOVKPKCPGE-IINYFYTJSA-N 2 2 349.460 1.362 20 0 EDADLP 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0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000996713435 703008556 /nfs/dbraw/zinc/00/85/56/703008556.db2.gz JBSMFJWHFCADRE-HNNXBMFYSA-N 2 2 347.850 1.958 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC000942518872 703020603 /nfs/dbraw/zinc/02/06/03/703020603.db2.gz YMHZJTFXIMKRIW-ZBFHGGJFSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)cn2)C[C@H]1C ZINC000942518872 703020604 /nfs/dbraw/zinc/02/06/04/703020604.db2.gz YMHZJTFXIMKRIW-ZBFHGGJFSA-N 2 2 342.447 1.317 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996739378 703025745 /nfs/dbraw/zinc/02/57/45/703025745.db2.gz RFUSOQNSPYTIPM-GFCCVEGCSA-N 2 2 346.460 1.078 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996934575 703204365 /nfs/dbraw/zinc/20/43/65/703204365.db2.gz LXJIRBLFECKHBC-UHFFFAOYSA-N 2 2 349.460 1.587 20 0 EDADLP C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3noc(C4CC4)n3)CC2)CC1 ZINC000996948173 703217340 /nfs/dbraw/zinc/21/73/40/703217340.db2.gz AZHDCWDHZKSIBR-UHFFFAOYSA-N 2 2 347.463 1.369 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996992900 703249489 /nfs/dbraw/zinc/24/94/89/703249489.db2.gz ZJNPLIDEYXEBTB-HOCLYGCPSA-N 2 2 346.475 1.837 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)on1 ZINC001032043660 703250905 /nfs/dbraw/zinc/25/09/05/703250905.db2.gz LHEMLQJISWECTL-WBVHZDCISA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)on1 ZINC001032043660 703250907 /nfs/dbraw/zinc/25/09/07/703250907.db2.gz LHEMLQJISWECTL-WBVHZDCISA-N 2 2 332.448 1.548 20 0 EDADLP CC(C)c1noc([C@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000997034677 703286915 /nfs/dbraw/zinc/28/69/15/703286915.db2.gz AYEZKZLJMYAXCP-LBPRGKRZSA-N 2 2 346.435 1.800 20 0 EDADLP Cc1ncsc1CC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997042279 703292555 /nfs/dbraw/zinc/29/25/55/703292555.db2.gz OOVRRWCQEMLHCZ-UHFFFAOYSA-N 2 2 333.461 1.540 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]CC(=O)N2CCCC2)CC1)n1cc[nH+]c1 ZINC000997044405 703293478 /nfs/dbraw/zinc/29/34/78/703293478.db2.gz DXNWRCULKAUIFJ-OAHLLOKOSA-N 2 2 347.463 1.037 20 0 EDADLP CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1=O ZINC000997050108 703298471 /nfs/dbraw/zinc/29/84/71/703298471.db2.gz OCANGKWDYLRBJO-GDBMZVCRSA-N 2 2 347.463 1.036 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000997056244 703302050 /nfs/dbraw/zinc/30/20/50/703302050.db2.gz ZOWDICVMNIUYMY-UHFFFAOYSA-N 2 2 331.420 1.775 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821656 703330207 /nfs/dbraw/zinc/33/02/07/703330207.db2.gz FZDDVSUAICETSB-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821656 703330210 /nfs/dbraw/zinc/33/02/10/703330210.db2.gz FZDDVSUAICETSB-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821656 703330213 /nfs/dbraw/zinc/33/02/13/703330213.db2.gz FZDDVSUAICETSB-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942821656 703330216 /nfs/dbraw/zinc/33/02/16/703330216.db2.gz FZDDVSUAICETSB-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000997087135 703332459 /nfs/dbraw/zinc/33/24/59/703332459.db2.gz XDFORMHMWUTWCW-CYBMUJFWSA-N 2 2 345.422 1.903 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000997087135 703332461 /nfs/dbraw/zinc/33/24/61/703332461.db2.gz XDFORMHMWUTWCW-CYBMUJFWSA-N 2 2 345.422 1.903 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000997118851 703375301 /nfs/dbraw/zinc/37/53/01/703375301.db2.gz KXXNLCNVRGXVHK-UHFFFAOYSA-N 2 2 342.447 1.266 20 0 EDADLP COc1ccc(F)cc1C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997123668 703383106 /nfs/dbraw/zinc/38/31/06/703383106.db2.gz IFYROOLMLZIFFB-UHFFFAOYSA-N 2 2 346.406 1.881 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC(F)(F)F)CC[N@@H+]1C ZINC001032413590 703470929 /nfs/dbraw/zinc/47/09/29/703470929.db2.gz LCXGQOHJVPKYIX-XDQVBPFNSA-N 2 2 333.398 1.954 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC(F)(F)F)CC[N@H+]1C ZINC001032413590 703470932 /nfs/dbraw/zinc/47/09/32/703470932.db2.gz LCXGQOHJVPKYIX-XDQVBPFNSA-N 2 2 333.398 1.954 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(F)(F)F)CC[NH+]1C ZINC001032413590 703470934 /nfs/dbraw/zinc/47/09/34/703470934.db2.gz LCXGQOHJVPKYIX-XDQVBPFNSA-N 2 2 333.398 1.954 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(F)(F)F)CC[NH+]1C ZINC001032413590 703470936 /nfs/dbraw/zinc/47/09/36/703470936.db2.gz LCXGQOHJVPKYIX-XDQVBPFNSA-N 2 2 333.398 1.954 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)ccn1 ZINC000997181283 703471578 /nfs/dbraw/zinc/47/15/78/703471578.db2.gz YLGOAFULSJLKLW-UHFFFAOYSA-N 2 2 343.431 1.147 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997238656 703525226 /nfs/dbraw/zinc/52/52/26/703525226.db2.gz VAUKRRYDNDLIMS-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997238628 703525242 /nfs/dbraw/zinc/52/52/42/703525242.db2.gz UTOLMLSCLXAKFK-UHFFFAOYSA-N 2 2 344.463 1.175 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC000997413333 703668326 /nfs/dbraw/zinc/66/83/26/703668326.db2.gz LWLOMOFQTOUPJA-UHFFFAOYSA-N 2 2 329.404 1.068 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)sc1C ZINC000997413997 703668880 /nfs/dbraw/zinc/66/88/80/703668880.db2.gz YUPPZIYBXSZONP-UHFFFAOYSA-N 2 2 333.461 1.737 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000997418742 703669643 /nfs/dbraw/zinc/66/96/43/703669643.db2.gz YJLIIYVJUBLOBG-KRWDZBQOSA-N 2 2 346.406 1.336 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000997640911 703945644 /nfs/dbraw/zinc/94/56/44/703945644.db2.gz BCSJBSAVUWMOOT-WMLDXEAASA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000997640911 703945646 /nfs/dbraw/zinc/94/56/46/703945646.db2.gz BCSJBSAVUWMOOT-WMLDXEAASA-N 2 2 348.495 1.016 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922547457 703953330 /nfs/dbraw/zinc/95/33/30/703953330.db2.gz UZQSGYFWOOSEPQ-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922547457 703953331 /nfs/dbraw/zinc/95/33/31/703953331.db2.gz UZQSGYFWOOSEPQ-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922547989 703953951 /nfs/dbraw/zinc/95/39/51/703953951.db2.gz UZQSGYFWOOSEPQ-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922547989 703953953 /nfs/dbraw/zinc/95/39/53/703953953.db2.gz UZQSGYFWOOSEPQ-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC001033081043 704136065 /nfs/dbraw/zinc/13/60/65/704136065.db2.gz LEIUOCMSVLQZET-DLBZAZTESA-N 2 2 346.475 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)oc1C ZINC001033081043 704136067 /nfs/dbraw/zinc/13/60/67/704136067.db2.gz LEIUOCMSVLQZET-DLBZAZTESA-N 2 2 346.475 1.666 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2)CC1 ZINC001032710638 706793781 /nfs/dbraw/zinc/79/37/81/706793781.db2.gz KMTRYDHPGRBEGD-OALUTQOASA-N 2 2 342.487 1.987 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2)CC1 ZINC001032710638 706793783 /nfs/dbraw/zinc/79/37/83/706793783.db2.gz KMTRYDHPGRBEGD-OALUTQOASA-N 2 2 342.487 1.987 20 0 EDADLP CC(C)(CNS(C)(=O)=O)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000922636707 704165019 /nfs/dbraw/zinc/16/50/19/704165019.db2.gz HWXNLRCTVWRCJB-UHFFFAOYSA-N 2 2 328.463 1.351 20 0 EDADLP CCn1c(C)nnc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946261 704799378 /nfs/dbraw/zinc/79/93/78/704799378.db2.gz WECFXDDAJYADJI-HOCLYGCPSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1c(C)nnc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946261 704799380 /nfs/dbraw/zinc/79/93/80/704799380.db2.gz WECFXDDAJYADJI-HOCLYGCPSA-N 2 2 348.495 1.029 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000997977331 705114084 /nfs/dbraw/zinc/11/40/84/705114084.db2.gz PIHSDZBHNQFPGJ-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000997977331 705114087 /nfs/dbraw/zinc/11/40/87/705114087.db2.gz PIHSDZBHNQFPGJ-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000997977331 705114089 /nfs/dbraw/zinc/11/40/89/705114089.db2.gz PIHSDZBHNQFPGJ-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC000997977331 705114095 /nfs/dbraw/zinc/11/40/95/705114095.db2.gz PIHSDZBHNQFPGJ-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998051087 705253553 /nfs/dbraw/zinc/25/35/53/705253553.db2.gz LBSCNEMJSLMNAG-AWEZNQCLSA-N 2 2 338.452 1.045 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998051087 705253559 /nfs/dbraw/zinc/25/35/59/705253559.db2.gz LBSCNEMJSLMNAG-AWEZNQCLSA-N 2 2 338.452 1.045 20 0 EDADLP CC(C)n1ncnc1C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000998180469 705479289 /nfs/dbraw/zinc/47/92/89/705479289.db2.gz CGSLRYNLOAODPI-UHFFFAOYSA-N 2 2 345.451 1.153 20 0 EDADLP CC(C)(C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1)c1c[nH+]c[nH]1 ZINC000998221603 705546391 /nfs/dbraw/zinc/54/63/91/705546391.db2.gz DXRPUHRZSYINFC-UHFFFAOYSA-N 2 2 348.476 1.567 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000998223333 705551143 /nfs/dbraw/zinc/55/11/43/705551143.db2.gz PBQBQCIQIVZZSY-VQIMIIECSA-N 2 2 346.475 1.217 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000998223975 705552304 /nfs/dbraw/zinc/55/23/04/705552304.db2.gz USHKAHYURMQUFG-UHFFFAOYSA-N 2 2 333.461 1.448 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2cnccc2C)CC1 ZINC000998245437 705588429 /nfs/dbraw/zinc/58/84/29/705588429.db2.gz UZDPZYLJFOCAET-UHFFFAOYSA-N 2 2 341.459 1.992 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC000998262715 705628284 /nfs/dbraw/zinc/62/82/84/705628284.db2.gz RCYOYEJNNNWAQK-QWRGUYRKSA-N 2 2 336.333 1.681 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1)c1csnn1 ZINC000998297880 705701387 /nfs/dbraw/zinc/70/13/87/705701387.db2.gz PMNGEBBIQNVSTC-LBPRGKRZSA-N 2 2 334.449 1.324 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032627208 705734652 /nfs/dbraw/zinc/73/46/52/705734652.db2.gz RXVVQAZPIIDHCA-ILXRZTDVSA-N 2 2 334.489 1.455 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032627208 705734655 /nfs/dbraw/zinc/73/46/55/705734655.db2.gz RXVVQAZPIIDHCA-ILXRZTDVSA-N 2 2 334.489 1.455 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1 ZINC001032627208 705734658 /nfs/dbraw/zinc/73/46/58/705734658.db2.gz RXVVQAZPIIDHCA-ILXRZTDVSA-N 2 2 334.489 1.455 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1 ZINC001032627208 705734659 /nfs/dbraw/zinc/73/46/59/705734659.db2.gz RXVVQAZPIIDHCA-ILXRZTDVSA-N 2 2 334.489 1.455 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC000998722072 706153843 /nfs/dbraw/zinc/15/38/43/706153843.db2.gz OBCHDMIZWKSDOQ-KGLIPLIRSA-N 2 2 349.479 1.542 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC000998722072 706153845 /nfs/dbraw/zinc/15/38/45/706153845.db2.gz OBCHDMIZWKSDOQ-KGLIPLIRSA-N 2 2 349.479 1.542 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC000998730182 706162485 /nfs/dbraw/zinc/16/24/85/706162485.db2.gz JEUIARZIPFZYDK-HUUCEWRRSA-N 2 2 347.463 1.512 20 0 EDADLP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000998929590 706358182 /nfs/dbraw/zinc/35/81/82/706358182.db2.gz MVAICHKLIIOZGA-QDIHITRGSA-N 2 2 339.443 1.996 20 0 EDADLP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000998929590 706358184 /nfs/dbraw/zinc/35/81/84/706358184.db2.gz MVAICHKLIIOZGA-QDIHITRGSA-N 2 2 339.443 1.996 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999036189 706451033 /nfs/dbraw/zinc/45/10/33/706451033.db2.gz SPGBAKKJWQGWAY-OAHLLOKOSA-N 2 2 331.395 1.657 20 0 EDADLP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000999386160 706899204 /nfs/dbraw/zinc/89/92/04/706899204.db2.gz UKUXBCWSIBASFK-RUXDESIVSA-N 2 2 343.431 1.905 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC000999468609 706977224 /nfs/dbraw/zinc/97/72/24/706977224.db2.gz HLOUWGBKCPFBBL-CBZQXFMTSA-N 2 2 334.449 1.452 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)no1 ZINC000999508398 707005824 /nfs/dbraw/zinc/00/58/24/707005824.db2.gz LBMSAQMICWLNDI-UWTIGNOOSA-N 2 2 349.479 1.750 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)no1 ZINC000999509662 707007647 /nfs/dbraw/zinc/00/76/47/707007647.db2.gz QVTMNNGJSAWMLA-UHFFFAOYSA-N 2 2 349.479 1.443 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1)[NH+](C)C ZINC000999495994 707033092 /nfs/dbraw/zinc/03/30/92/707033092.db2.gz NHMLHRSCVLJZKI-UONOGXRCSA-N 2 2 335.452 1.368 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999537427 707038017 /nfs/dbraw/zinc/03/80/17/707038017.db2.gz SMVPWWDVDQTDOT-RDJZCZTQSA-N 2 2 339.443 1.621 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)o1 ZINC000999538823 707039537 /nfs/dbraw/zinc/03/95/37/707039537.db2.gz ZKWUHLPYGLBCEC-LSDHHAIUSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999538587 707039608 /nfs/dbraw/zinc/03/96/08/707039608.db2.gz YMUOVXDGUWECDS-ZBFHGGJFSA-N 2 2 343.431 1.523 20 0 EDADLP O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1C[NH+]1CCCC1 ZINC000058204709 707175321 /nfs/dbraw/zinc/17/53/21/707175321.db2.gz FMLQVDGPWACMGY-LJQANCHMSA-N 2 2 342.443 1.626 20 0 EDADLP O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[NH+]1CCCC1 ZINC000058204709 707175324 /nfs/dbraw/zinc/17/53/24/707175324.db2.gz FMLQVDGPWACMGY-LJQANCHMSA-N 2 2 342.443 1.626 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000999687053 707239821 /nfs/dbraw/zinc/23/98/21/707239821.db2.gz DUVXZYSYOOXAKB-HSBZDZAISA-N 2 2 340.418 1.977 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)s1 ZINC000999713630 707251531 /nfs/dbraw/zinc/25/15/31/707251531.db2.gz LKSVXFHWZVOCHJ-CQSZACIVSA-N 2 2 333.461 1.737 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC000999715071 707252904 /nfs/dbraw/zinc/25/29/04/707252904.db2.gz SREJVCINMFIJNU-CQSZACIVSA-N 2 2 346.435 1.479 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC000999725695 707267763 /nfs/dbraw/zinc/26/77/63/707267763.db2.gz MVWPZQDEZSNZCU-HNNXBMFYSA-N 2 2 331.420 1.577 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2cnc(C)cn2)C1 ZINC001033266753 707294310 /nfs/dbraw/zinc/29/43/10/707294310.db2.gz RHKCCDOXPLUHCX-CVEARBPZSA-N 2 2 342.447 1.584 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2cnc(C)cn2)C1 ZINC001033266753 707294315 /nfs/dbraw/zinc/29/43/15/707294315.db2.gz RHKCCDOXPLUHCX-CVEARBPZSA-N 2 2 342.447 1.584 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033268228 707307931 /nfs/dbraw/zinc/30/79/31/707307931.db2.gz WXUZVQWTFAESKM-MRXNPFEDSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033268228 707307938 /nfs/dbraw/zinc/30/79/38/707307938.db2.gz WXUZVQWTFAESKM-MRXNPFEDSA-N 2 2 328.420 1.023 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033268322 707309181 /nfs/dbraw/zinc/30/91/81/707309181.db2.gz YZCROWYUVHSLNR-HNNXBMFYSA-N 2 2 331.420 1.475 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999791983 707363119 /nfs/dbraw/zinc/36/31/19/707363119.db2.gz LPBJFFMIMSWRSJ-FUHWJXTLSA-N 2 2 346.475 1.938 20 0 EDADLP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004833609 707403810 /nfs/dbraw/zinc/40/38/10/707403810.db2.gz LCGRRNMTAQFBQF-GOEBONIOSA-N 2 2 344.463 1.635 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001004894244 707575788 /nfs/dbraw/zinc/57/57/88/707575788.db2.gz FXNRFXWEWVYYFN-DZGCQCFKSA-N 2 2 345.451 1.177 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203825 707583578 /nfs/dbraw/zinc/58/35/78/707583578.db2.gz TWDLGKSDFLLBBQ-HOCLYGCPSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203825 707583581 /nfs/dbraw/zinc/58/35/81/707583581.db2.gz TWDLGKSDFLLBBQ-HOCLYGCPSA-N 2 2 343.431 1.475 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033354063 707609292 /nfs/dbraw/zinc/60/92/92/707609292.db2.gz MNNOMMXOUHXPPR-SJLPKXTDSA-N 2 2 347.507 1.575 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033354063 707609296 /nfs/dbraw/zinc/60/92/96/707609296.db2.gz MNNOMMXOUHXPPR-SJLPKXTDSA-N 2 2 347.507 1.575 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)C1 ZINC001033354063 707609298 /nfs/dbraw/zinc/60/92/98/707609298.db2.gz MNNOMMXOUHXPPR-SJLPKXTDSA-N 2 2 347.507 1.575 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)C1 ZINC001033354063 707609302 /nfs/dbraw/zinc/60/93/02/707609302.db2.gz MNNOMMXOUHXPPR-SJLPKXTDSA-N 2 2 347.507 1.575 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033204943 707625971 /nfs/dbraw/zinc/62/59/71/707625971.db2.gz AYGAVJKXAPJPCW-HZPDHXFCSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033204943 707625975 /nfs/dbraw/zinc/62/59/75/707625975.db2.gz AYGAVJKXAPJPCW-HZPDHXFCSA-N 2 2 346.475 1.547 20 0 EDADLP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004919943 707628069 /nfs/dbraw/zinc/62/80/69/707628069.db2.gz MZINCRALGZMPPU-NVXWUHKLSA-N 2 2 344.463 1.566 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033417930 707801003 /nfs/dbraw/zinc/80/10/03/707801003.db2.gz BIPWTBUIINXZSF-GXTWGEPZSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033417930 707801006 /nfs/dbraw/zinc/80/10/06/707801006.db2.gz BIPWTBUIINXZSF-GXTWGEPZSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033417930 707801007 /nfs/dbraw/zinc/80/10/07/707801007.db2.gz BIPWTBUIINXZSF-GXTWGEPZSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033417930 707801010 /nfs/dbraw/zinc/80/10/10/707801010.db2.gz BIPWTBUIINXZSF-GXTWGEPZSA-N 2 2 337.493 1.221 20 0 EDADLP C[C@H](CC(=O)N1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)n1cc[nH+]c1 ZINC000946766172 707828230 /nfs/dbraw/zinc/82/82/30/707828230.db2.gz KYCXVQPZALJDJW-ZBFHGGJFSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@H](CC(=O)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1)n1cc[nH+]c1 ZINC000946766172 707828231 /nfs/dbraw/zinc/82/82/31/707828231.db2.gz KYCXVQPZALJDJW-ZBFHGGJFSA-N 2 2 347.463 1.036 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)c(C)o1 ZINC001033425049 707843709 /nfs/dbraw/zinc/84/37/09/707843709.db2.gz VPECZMFOHOTANO-CZUORRHYSA-N 2 2 334.464 1.808 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)c(C)o1 ZINC001033425049 707843712 /nfs/dbraw/zinc/84/37/12/707843712.db2.gz VPECZMFOHOTANO-CZUORRHYSA-N 2 2 334.464 1.808 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)c(C)o1 ZINC001033425049 707843715 /nfs/dbraw/zinc/84/37/15/707843715.db2.gz VPECZMFOHOTANO-CZUORRHYSA-N 2 2 334.464 1.808 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)c(C)o1 ZINC001033425049 707843717 /nfs/dbraw/zinc/84/37/17/707843717.db2.gz VPECZMFOHOTANO-CZUORRHYSA-N 2 2 334.464 1.808 20 0 EDADLP C[C@@H]([NH2+]Cc1cnsn1)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982073 707860893 /nfs/dbraw/zinc/86/08/93/707860893.db2.gz OQPASMDWDRDAPS-HIFRSBDPSA-N 2 2 349.504 1.493 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCOC1 ZINC001032759663 707870246 /nfs/dbraw/zinc/87/02/46/707870246.db2.gz XSAMXVWEDFSBPX-XIRDDKMYSA-N 2 2 332.448 1.064 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCOC1 ZINC001032759663 707870249 /nfs/dbraw/zinc/87/02/49/707870249.db2.gz XSAMXVWEDFSBPX-XIRDDKMYSA-N 2 2 332.448 1.064 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(C2(NC(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC001000211824 707873078 /nfs/dbraw/zinc/87/30/78/707873078.db2.gz WNWRDHJXGNHPJT-CQSZACIVSA-N 2 2 342.443 1.690 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccn4c[nH+]cc4c3)C2)on1 ZINC001033229531 707884293 /nfs/dbraw/zinc/88/42/93/707884293.db2.gz CACWVHHLEVSMFU-HNNXBMFYSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccn4c[nH+]cc4c3)C2)on1 ZINC001033229531 707884298 /nfs/dbraw/zinc/88/42/98/707884298.db2.gz CACWVHHLEVSMFU-HNNXBMFYSA-N 2 2 339.399 1.977 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033459089 707909785 /nfs/dbraw/zinc/90/97/85/707909785.db2.gz XLWIWGYQQDMCOR-IRXDYDNUSA-N 2 2 346.406 1.358 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033459089 707909786 /nfs/dbraw/zinc/90/97/86/707909786.db2.gz XLWIWGYQQDMCOR-IRXDYDNUSA-N 2 2 346.406 1.358 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)s1 ZINC001005010298 707927785 /nfs/dbraw/zinc/92/77/85/707927785.db2.gz PKQXDSKARGPJCA-JSGCOSHPSA-N 2 2 348.476 1.602 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033468485 707927813 /nfs/dbraw/zinc/92/78/13/707927813.db2.gz XZGRXVLQPNRSJX-OAHLLOKOSA-N 2 2 344.463 1.473 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033468485 707927816 /nfs/dbraw/zinc/92/78/16/707927816.db2.gz XZGRXVLQPNRSJX-OAHLLOKOSA-N 2 2 344.463 1.473 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001000245154 707949136 /nfs/dbraw/zinc/94/91/36/707949136.db2.gz IBGKKUATKDGLAT-FVQBIDKESA-N 2 2 342.447 1.038 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001033475752 707965904 /nfs/dbraw/zinc/96/59/04/707965904.db2.gz RBNOEQQFEHFARM-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001033475752 707965908 /nfs/dbraw/zinc/96/59/08/707965908.db2.gz RBNOEQQFEHFARM-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CC(C)(C)CO1 ZINC001032784149 707982975 /nfs/dbraw/zinc/98/29/75/707982975.db2.gz JSESKRDNQHUYGU-HRCADAONSA-N 2 2 332.448 1.292 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CC(C)(C)CO1 ZINC001032784149 707982979 /nfs/dbraw/zinc/98/29/79/707982979.db2.gz JSESKRDNQHUYGU-HRCADAONSA-N 2 2 332.448 1.292 20 0 EDADLP Cc1nc(C[NH+]2CC=C(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC001001149762 708107691 /nfs/dbraw/zinc/10/76/91/708107691.db2.gz AGXKKSCMNATTKD-CXAGYDPISA-N 2 2 346.475 1.737 20 0 EDADLP Cc1nc(C[NH+]2CC=C(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC001001149762 708107694 /nfs/dbraw/zinc/10/76/94/708107694.db2.gz AGXKKSCMNATTKD-CXAGYDPISA-N 2 2 346.475 1.737 20 0 EDADLP Cc1nc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)c(C)o1 ZINC001001149762 708107696 /nfs/dbraw/zinc/10/76/96/708107696.db2.gz AGXKKSCMNATTKD-CXAGYDPISA-N 2 2 346.475 1.737 20 0 EDADLP Cc1nc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)c(C)o1 ZINC001001149762 708107699 /nfs/dbraw/zinc/10/76/99/708107699.db2.gz AGXKKSCMNATTKD-CXAGYDPISA-N 2 2 346.475 1.737 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016255978 708147936 /nfs/dbraw/zinc/14/79/36/708147936.db2.gz POWXYQCQWZRCMZ-OLZOCXBDSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016255978 708147938 /nfs/dbraw/zinc/14/79/38/708147938.db2.gz POWXYQCQWZRCMZ-OLZOCXBDSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016255978 708147940 /nfs/dbraw/zinc/14/79/40/708147940.db2.gz POWXYQCQWZRCMZ-OLZOCXBDSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016255978 708147942 /nfs/dbraw/zinc/14/79/42/708147942.db2.gz POWXYQCQWZRCMZ-OLZOCXBDSA-N 2 2 339.871 1.024 20 0 EDADLP COCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)cc1 ZINC001032815288 708149710 /nfs/dbraw/zinc/14/97/10/708149710.db2.gz PMOJRNRKXZAJKU-ROUUACIJSA-N 2 2 340.427 1.515 20 0 EDADLP COCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)cc1 ZINC001032815288 708149712 /nfs/dbraw/zinc/14/97/12/708149712.db2.gz PMOJRNRKXZAJKU-ROUUACIJSA-N 2 2 340.427 1.515 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC(F)(F)CC1 ZINC001032814990 708151577 /nfs/dbraw/zinc/15/15/77/708151577.db2.gz TXEVDECQRBZXBY-GJZGRUSLSA-N 2 2 338.402 1.994 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(F)(F)CC1 ZINC001032814990 708151580 /nfs/dbraw/zinc/15/15/80/708151580.db2.gz TXEVDECQRBZXBY-GJZGRUSLSA-N 2 2 338.402 1.994 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001033593035 708292171 /nfs/dbraw/zinc/29/21/71/708292171.db2.gz FIZSZHHAWXHSHO-HZPDHXFCSA-N 2 2 334.464 1.312 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001033593035 708292172 /nfs/dbraw/zinc/29/21/72/708292172.db2.gz FIZSZHHAWXHSHO-HZPDHXFCSA-N 2 2 334.464 1.312 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033618640 708347410 /nfs/dbraw/zinc/34/74/10/708347410.db2.gz HIYCZDVCZIDMMA-AEFFLSMTSA-N 2 2 348.491 1.735 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033618640 708347412 /nfs/dbraw/zinc/34/74/12/708347412.db2.gz HIYCZDVCZIDMMA-AEFFLSMTSA-N 2 2 348.491 1.735 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033665555 708449060 /nfs/dbraw/zinc/44/90/60/708449060.db2.gz OQWVZILRWLKONB-OAHLLOKOSA-N 2 2 347.850 1.973 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033665555 708449061 /nfs/dbraw/zinc/44/90/61/708449061.db2.gz OQWVZILRWLKONB-OAHLLOKOSA-N 2 2 347.850 1.973 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033665797 708449765 /nfs/dbraw/zinc/44/97/65/708449765.db2.gz RIUPHIQRDAANGZ-INIZCTEOSA-N 2 2 331.395 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033665797 708449767 /nfs/dbraw/zinc/44/97/67/708449767.db2.gz RIUPHIQRDAANGZ-INIZCTEOSA-N 2 2 331.395 1.459 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001033658725 708469636 /nfs/dbraw/zinc/46/96/36/708469636.db2.gz BJPIOXSMEZUCBF-ZBFHGGJFSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001033658725 708469640 /nfs/dbraw/zinc/46/96/40/708469640.db2.gz BJPIOXSMEZUCBF-ZBFHGGJFSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC001033658725 708469642 /nfs/dbraw/zinc/46/96/42/708469642.db2.gz BJPIOXSMEZUCBF-ZBFHGGJFSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC001033658725 708469645 /nfs/dbraw/zinc/46/96/45/708469645.db2.gz BJPIOXSMEZUCBF-ZBFHGGJFSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001033658722 708469866 /nfs/dbraw/zinc/46/98/66/708469866.db2.gz BJPIOXSMEZUCBF-GDBMZVCRSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001033658722 708469867 /nfs/dbraw/zinc/46/98/67/708469867.db2.gz BJPIOXSMEZUCBF-GDBMZVCRSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC001033658722 708469868 /nfs/dbraw/zinc/46/98/68/708469868.db2.gz BJPIOXSMEZUCBF-GDBMZVCRSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC001033658722 708469869 /nfs/dbraw/zinc/46/98/69/708469869.db2.gz BJPIOXSMEZUCBF-GDBMZVCRSA-N 2 2 337.414 1.949 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033684408 708497276 /nfs/dbraw/zinc/49/72/76/708497276.db2.gz FDHSOUZJORFYJN-FUHWJXTLSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033684408 708497277 /nfs/dbraw/zinc/49/72/77/708497277.db2.gz FDHSOUZJORFYJN-FUHWJXTLSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033684408 708497278 /nfs/dbraw/zinc/49/72/78/708497278.db2.gz FDHSOUZJORFYJN-FUHWJXTLSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033684408 708497279 /nfs/dbraw/zinc/49/72/79/708497279.db2.gz FDHSOUZJORFYJN-FUHWJXTLSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033775281 708675666 /nfs/dbraw/zinc/67/56/66/708675666.db2.gz MNEKUBXSBAWTOJ-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033775281 708675668 /nfs/dbraw/zinc/67/56/68/708675668.db2.gz MNEKUBXSBAWTOJ-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033775281 708675670 /nfs/dbraw/zinc/67/56/70/708675670.db2.gz MNEKUBXSBAWTOJ-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033775281 708675672 /nfs/dbraw/zinc/67/56/72/708675672.db2.gz MNEKUBXSBAWTOJ-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001033780984 708688137 /nfs/dbraw/zinc/68/81/37/708688137.db2.gz PBNNMLDELGBSCO-OALUTQOASA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001033780984 708688139 /nfs/dbraw/zinc/68/81/39/708688139.db2.gz PBNNMLDELGBSCO-OALUTQOASA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001033780984 708688141 /nfs/dbraw/zinc/68/81/41/708688141.db2.gz PBNNMLDELGBSCO-OALUTQOASA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC001033780984 708688143 /nfs/dbraw/zinc/68/81/43/708688143.db2.gz PBNNMLDELGBSCO-OALUTQOASA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033789954 708700624 /nfs/dbraw/zinc/70/06/24/708700624.db2.gz RGTYRMUSNMPWEU-MSOLQXFVSA-N 2 2 335.492 1.740 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033789954 708700627 /nfs/dbraw/zinc/70/06/27/708700627.db2.gz RGTYRMUSNMPWEU-MSOLQXFVSA-N 2 2 335.492 1.740 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033789954 708700637 /nfs/dbraw/zinc/70/06/37/708700637.db2.gz RGTYRMUSNMPWEU-MSOLQXFVSA-N 2 2 335.492 1.740 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001033789954 708700640 /nfs/dbraw/zinc/70/06/40/708700640.db2.gz RGTYRMUSNMPWEU-MSOLQXFVSA-N 2 2 335.492 1.740 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033777751 708705060 /nfs/dbraw/zinc/70/50/60/708705060.db2.gz WEVKWTQEYXWRCK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033777751 708705064 /nfs/dbraw/zinc/70/50/64/708705064.db2.gz WEVKWTQEYXWRCK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033777751 708705066 /nfs/dbraw/zinc/70/50/66/708705066.db2.gz WEVKWTQEYXWRCK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033777751 708705069 /nfs/dbraw/zinc/70/50/69/708705069.db2.gz WEVKWTQEYXWRCK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005407115 708936782 /nfs/dbraw/zinc/93/67/82/708936782.db2.gz LVSONBAWXLUQPH-HLLBOEOZSA-N 2 2 345.491 1.801 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005407115 708936785 /nfs/dbraw/zinc/93/67/85/708936785.db2.gz LVSONBAWXLUQPH-HLLBOEOZSA-N 2 2 345.491 1.801 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nonc2C)CC1 ZINC001005476452 709113204 /nfs/dbraw/zinc/11/32/04/709113204.db2.gz MCKNGONQWBJLIZ-QGZVFWFLSA-N 2 2 349.479 1.675 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nonc2C)CC1 ZINC001005476452 709113208 /nfs/dbraw/zinc/11/32/08/709113208.db2.gz MCKNGONQWBJLIZ-QGZVFWFLSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001033939455 709144747 /nfs/dbraw/zinc/14/47/47/709144747.db2.gz AOBSELFESXBUPM-QGZVFWFLSA-N 2 2 347.507 1.668 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001033939455 709144749 /nfs/dbraw/zinc/14/47/49/709144749.db2.gz AOBSELFESXBUPM-QGZVFWFLSA-N 2 2 347.507 1.668 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)on1 ZINC001034129334 709398054 /nfs/dbraw/zinc/39/80/54/709398054.db2.gz BQDWDEJLDIPBNF-ZFWWWQNUSA-N 2 2 336.436 1.248 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)on1 ZINC001034129334 709398057 /nfs/dbraw/zinc/39/80/57/709398057.db2.gz BQDWDEJLDIPBNF-ZFWWWQNUSA-N 2 2 336.436 1.248 20 0 EDADLP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)on1 ZINC001034129334 709398060 /nfs/dbraw/zinc/39/80/60/709398060.db2.gz BQDWDEJLDIPBNF-ZFWWWQNUSA-N 2 2 336.436 1.248 20 0 EDADLP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001034129334 709398063 /nfs/dbraw/zinc/39/80/63/709398063.db2.gz BQDWDEJLDIPBNF-ZFWWWQNUSA-N 2 2 336.436 1.248 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001002790984 709398526 /nfs/dbraw/zinc/39/85/26/709398526.db2.gz CWZDTCWLPPWESX-GDBMZVCRSA-N 2 2 348.495 1.330 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001002790984 709398528 /nfs/dbraw/zinc/39/85/28/709398528.db2.gz CWZDTCWLPPWESX-GDBMZVCRSA-N 2 2 348.495 1.330 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002809613 709411523 /nfs/dbraw/zinc/41/15/23/709411523.db2.gz IPUGQEMEDSRLJH-UKRRQHHQSA-N 2 2 349.504 1.493 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002809613 709411524 /nfs/dbraw/zinc/41/15/24/709411524.db2.gz IPUGQEMEDSRLJH-UKRRQHHQSA-N 2 2 349.504 1.493 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002802249 709417070 /nfs/dbraw/zinc/41/70/70/709417070.db2.gz MBVOQHIMACSQIF-ZBFHGGJFSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002802249 709417071 /nfs/dbraw/zinc/41/70/71/709417071.db2.gz MBVOQHIMACSQIF-ZBFHGGJFSA-N 2 2 347.463 1.333 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034205332 709528319 /nfs/dbraw/zinc/52/83/19/709528319.db2.gz VLOGEOFKHFAGMV-WMZOPIPTSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034205332 709528322 /nfs/dbraw/zinc/52/83/22/709528322.db2.gz VLOGEOFKHFAGMV-WMZOPIPTSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034205332 709528325 /nfs/dbraw/zinc/52/83/25/709528325.db2.gz VLOGEOFKHFAGMV-WMZOPIPTSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034205332 709528328 /nfs/dbraw/zinc/52/83/28/709528328.db2.gz VLOGEOFKHFAGMV-WMZOPIPTSA-N 2 2 347.507 1.764 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CCCC[NH+](CCCO)C2)[nH]n1 ZINC001034216548 709571402 /nfs/dbraw/zinc/57/14/02/709571402.db2.gz IOSWHQDNSZKQIB-YOEHRIQHSA-N 2 2 349.479 1.143 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CCCC[NH+](CCCO)C2)[nH]n1 ZINC001034216548 709571405 /nfs/dbraw/zinc/57/14/05/709571405.db2.gz IOSWHQDNSZKQIB-YOEHRIQHSA-N 2 2 349.479 1.143 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)[nH]n1 ZINC001034216548 709571408 /nfs/dbraw/zinc/57/14/08/709571408.db2.gz IOSWHQDNSZKQIB-YOEHRIQHSA-N 2 2 349.479 1.143 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)[nH]n1 ZINC001034216548 709571412 /nfs/dbraw/zinc/57/14/12/709571412.db2.gz IOSWHQDNSZKQIB-YOEHRIQHSA-N 2 2 349.479 1.143 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001002955401 709657044 /nfs/dbraw/zinc/65/70/44/709657044.db2.gz NHPKDQIBINGOPH-KRWDZBQOSA-N 2 2 333.480 1.375 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001002955401 709657047 /nfs/dbraw/zinc/65/70/47/709657047.db2.gz NHPKDQIBINGOPH-KRWDZBQOSA-N 2 2 333.480 1.375 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+]([C@@H]2CCNC2=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034269164 709673272 /nfs/dbraw/zinc/67/32/72/709673272.db2.gz AHMOEPMSZSGICW-CZUORRHYSA-N 2 2 341.415 1.036 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+]([C@@H]2CCNC2=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034269164 709673275 /nfs/dbraw/zinc/67/32/75/709673275.db2.gz AHMOEPMSZSGICW-CZUORRHYSA-N 2 2 341.415 1.036 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034272260 709679438 /nfs/dbraw/zinc/67/94/38/709679438.db2.gz SLMINVJXOTXQHO-QZTJIDSGSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034272260 709679444 /nfs/dbraw/zinc/67/94/44/709679444.db2.gz SLMINVJXOTXQHO-QZTJIDSGSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034272260 709679449 /nfs/dbraw/zinc/67/94/49/709679449.db2.gz SLMINVJXOTXQHO-QZTJIDSGSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034272260 709679452 /nfs/dbraw/zinc/67/94/52/709679452.db2.gz SLMINVJXOTXQHO-QZTJIDSGSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC001034308472 709748365 /nfs/dbraw/zinc/74/83/65/709748365.db2.gz BWOBCZROBKLMKM-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC001034308472 709748368 /nfs/dbraw/zinc/74/83/68/709748368.db2.gz BWOBCZROBKLMKM-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc[nH+]1 ZINC001061233089 709870612 /nfs/dbraw/zinc/87/06/12/709870612.db2.gz FQXSEYCGERPMTQ-DLBZAZTESA-N 2 2 343.475 1.554 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1C ZINC001034394299 709930249 /nfs/dbraw/zinc/93/02/49/709930249.db2.gz KYRBCEFHJNBVCN-DOTOQJQBSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1C ZINC001034394299 709930250 /nfs/dbraw/zinc/93/02/50/709930250.db2.gz KYRBCEFHJNBVCN-DOTOQJQBSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)nn1C ZINC001034394299 709930251 /nfs/dbraw/zinc/93/02/51/709930251.db2.gz KYRBCEFHJNBVCN-DOTOQJQBSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)nn1C ZINC001034394299 709930252 /nfs/dbraw/zinc/93/02/52/709930252.db2.gz KYRBCEFHJNBVCN-DOTOQJQBSA-N 2 2 347.507 1.541 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001034395431 709933256 /nfs/dbraw/zinc/93/32/56/709933256.db2.gz ZCSQWVSGPMUYRC-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)n1 ZINC001034395431 709933259 /nfs/dbraw/zinc/93/32/59/709933259.db2.gz ZCSQWVSGPMUYRC-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001034395431 709933262 /nfs/dbraw/zinc/93/32/62/709933262.db2.gz ZCSQWVSGPMUYRC-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001034395431 709933264 /nfs/dbraw/zinc/93/32/64/709933264.db2.gz ZCSQWVSGPMUYRC-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCCO2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001003180399 710096620 /nfs/dbraw/zinc/09/66/20/710096620.db2.gz RSBYTHSKXBTEPZ-YJBOKZPZSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)on1 ZINC001003192173 710126554 /nfs/dbraw/zinc/12/65/54/710126554.db2.gz FVTQHGWPPOMPPU-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034503953 710145872 /nfs/dbraw/zinc/14/58/72/710145872.db2.gz VJPQNZMJMBKTDN-CQSZACIVSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034503953 710145876 /nfs/dbraw/zinc/14/58/76/710145876.db2.gz VJPQNZMJMBKTDN-CQSZACIVSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)nn1C ZINC001034529658 710185578 /nfs/dbraw/zinc/18/55/78/710185578.db2.gz LTWDYVXPJZHAEA-MRXNPFEDSA-N 2 2 344.463 1.404 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)nn1C ZINC001034529658 710185580 /nfs/dbraw/zinc/18/55/80/710185580.db2.gz LTWDYVXPJZHAEA-MRXNPFEDSA-N 2 2 344.463 1.404 20 0 EDADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001032839624 710282157 /nfs/dbraw/zinc/28/21/57/710282157.db2.gz JILWITDPBFVCSW-INMHGKMJSA-N 2 2 331.464 1.521 20 0 EDADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001032839624 710282160 /nfs/dbraw/zinc/28/21/60/710282160.db2.gz JILWITDPBFVCSW-INMHGKMJSA-N 2 2 331.464 1.521 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001032839624 710282163 /nfs/dbraw/zinc/28/21/63/710282163.db2.gz JILWITDPBFVCSW-INMHGKMJSA-N 2 2 331.464 1.521 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001032839624 710282166 /nfs/dbraw/zinc/28/21/66/710282166.db2.gz JILWITDPBFVCSW-INMHGKMJSA-N 2 2 331.464 1.521 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC001034610224 710284065 /nfs/dbraw/zinc/28/40/65/710284065.db2.gz JMTTUKXJLCLGNC-CYUUQNCZSA-N 2 2 335.452 1.550 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)no1 ZINC001034610224 710284068 /nfs/dbraw/zinc/28/40/68/710284068.db2.gz JMTTUKXJLCLGNC-CYUUQNCZSA-N 2 2 335.452 1.550 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ncccn3)CC2)C1 ZINC001003483093 710377496 /nfs/dbraw/zinc/37/74/96/710377496.db2.gz PJWUSOPDTGOKBQ-INIZCTEOSA-N 2 2 345.491 1.679 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ncccn3)CC2)C1 ZINC001003483093 710377500 /nfs/dbraw/zinc/37/75/00/710377500.db2.gz PJWUSOPDTGOKBQ-INIZCTEOSA-N 2 2 345.491 1.679 20 0 EDADLP CO[C@@H](C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1)c1ccccc1 ZINC001044187356 710428916 /nfs/dbraw/zinc/42/89/16/710428916.db2.gz AZBJXXDWYVRCGP-APWZRJJASA-N 2 2 345.487 1.859 20 0 EDADLP CO[C@@H](C[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1 ZINC001044187356 710428918 /nfs/dbraw/zinc/42/89/18/710428918.db2.gz AZBJXXDWYVRCGP-APWZRJJASA-N 2 2 345.487 1.859 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)s1 ZINC001003635655 710462721 /nfs/dbraw/zinc/46/27/21/710462721.db2.gz QDTUGYWYGVSNEO-IUODEOHRSA-N 2 2 336.505 1.730 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)s1 ZINC001003635655 710462722 /nfs/dbraw/zinc/46/27/22/710462722.db2.gz QDTUGYWYGVSNEO-IUODEOHRSA-N 2 2 336.505 1.730 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001005588570 710622012 /nfs/dbraw/zinc/62/20/12/710622012.db2.gz MCJPKKCOSVGQDA-XJKSGUPXSA-N 2 2 349.479 1.846 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001005588570 710622015 /nfs/dbraw/zinc/62/20/15/710622015.db2.gz MCJPKKCOSVGQDA-XJKSGUPXSA-N 2 2 349.479 1.846 20 0 EDADLP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3nccs3)CC2)CC1 ZINC001003842153 710678011 /nfs/dbraw/zinc/67/80/11/710678011.db2.gz VOVSUHILVRQPPR-UHFFFAOYSA-N 2 2 336.505 1.956 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034692352 710780579 /nfs/dbraw/zinc/78/05/79/710780579.db2.gz HTEWBISJAGPPOI-JOCQHMNTSA-N 2 2 334.449 1.260 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC001034735383 710920087 /nfs/dbraw/zinc/92/00/87/710920087.db2.gz GENNTXVMQXULLV-SDADXPQNSA-N 2 2 349.479 1.940 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)no1 ZINC001034735383 710920090 /nfs/dbraw/zinc/92/00/90/710920090.db2.gz GENNTXVMQXULLV-SDADXPQNSA-N 2 2 349.479 1.940 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001032946476 710928088 /nfs/dbraw/zinc/92/80/88/710928088.db2.gz WZZRDOWEANCJSH-CABCVRRESA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001032946476 710928092 /nfs/dbraw/zinc/92/80/92/710928092.db2.gz WZZRDOWEANCJSH-CABCVRRESA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001032946476 710928095 /nfs/dbraw/zinc/92/80/95/710928095.db2.gz WZZRDOWEANCJSH-CABCVRRESA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001032946476 710928098 /nfs/dbraw/zinc/92/80/98/710928098.db2.gz WZZRDOWEANCJSH-CABCVRRESA-N 2 2 336.867 1.862 20 0 EDADLP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032971848 711035131 /nfs/dbraw/zinc/03/51/31/711035131.db2.gz ABOUWMBXEPWGBQ-QZTJIDSGSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032971848 711035136 /nfs/dbraw/zinc/03/51/36/711035136.db2.gz ABOUWMBXEPWGBQ-QZTJIDSGSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032971848 711035139 /nfs/dbraw/zinc/03/51/39/711035139.db2.gz ABOUWMBXEPWGBQ-QZTJIDSGSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032971848 711035146 /nfs/dbraw/zinc/03/51/46/711035146.db2.gz ABOUWMBXEPWGBQ-QZTJIDSGSA-N 2 2 349.450 1.497 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003974041 711131672 /nfs/dbraw/zinc/13/16/72/711131672.db2.gz FZIXDOAMHAKSRD-UHFFFAOYSA-N 2 2 346.475 1.974 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC001005719590 711143136 /nfs/dbraw/zinc/14/31/36/711143136.db2.gz QPAHXLAIJCSAJQ-UHFFFAOYSA-N 2 2 342.447 1.413 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)cs1 ZINC001003982892 711180932 /nfs/dbraw/zinc/18/09/32/711180932.db2.gz DSHHOZYRDIOFET-UHFFFAOYSA-N 2 2 334.489 1.628 20 0 EDADLP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2)no1 ZINC001034813238 711185936 /nfs/dbraw/zinc/18/59/36/711185936.db2.gz VSDYSLDEJMYSQQ-SFHVURJKSA-N 2 2 342.443 1.983 20 0 EDADLP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)no1 ZINC001034813238 711185940 /nfs/dbraw/zinc/18/59/40/711185940.db2.gz VSDYSLDEJMYSQQ-SFHVURJKSA-N 2 2 342.443 1.983 20 0 EDADLP CCc1cc(N2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)nc(C)[nH+]1 ZINC001061379080 711298101 /nfs/dbraw/zinc/29/81/01/711298101.db2.gz FTMDACZGJWLXTC-INIZCTEOSA-N 2 2 343.475 1.528 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)c(C)c1 ZINC001034890336 711345728 /nfs/dbraw/zinc/34/57/28/711345728.db2.gz AXFMDICFCLNDCA-RTBURBONSA-N 2 2 345.487 1.715 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC001034890336 711345731 /nfs/dbraw/zinc/34/57/31/711345731.db2.gz AXFMDICFCLNDCA-RTBURBONSA-N 2 2 345.487 1.715 20 0 EDADLP CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001034890922 711346660 /nfs/dbraw/zinc/34/66/60/711346660.db2.gz JIDLDFMYHYYPKA-MOPGFXCFSA-N 2 2 345.487 1.660 20 0 EDADLP CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001034890922 711346662 /nfs/dbraw/zinc/34/66/62/711346662.db2.gz JIDLDFMYHYYPKA-MOPGFXCFSA-N 2 2 345.487 1.660 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)o1 ZINC001034957470 711429030 /nfs/dbraw/zinc/42/90/30/711429030.db2.gz WRACONQWJXBGNB-UONOGXRCSA-N 2 2 349.479 1.758 20 0 EDADLP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCc3c[nH+]cn3C)C2)[C@H]1C(C)C ZINC000922514271 711644237 /nfs/dbraw/zinc/64/42/37/711644237.db2.gz ABTVIBHZNYFLMQ-KONPQCLYSA-N 2 2 349.479 1.089 20 0 EDADLP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCc3c[nH+]cn3C)C2)[C@H]1C(C)C ZINC000922514271 711644239 /nfs/dbraw/zinc/64/42/39/711644239.db2.gz ABTVIBHZNYFLMQ-KONPQCLYSA-N 2 2 349.479 1.089 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922519113 711648991 /nfs/dbraw/zinc/64/89/91/711648991.db2.gz PJAQAHIBDFCVEG-LBPRGKRZSA-N 2 2 327.498 1.733 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922519113 711648992 /nfs/dbraw/zinc/64/89/92/711648992.db2.gz PJAQAHIBDFCVEG-LBPRGKRZSA-N 2 2 327.498 1.733 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@H+](CCF)C1 ZINC001033143086 711951653 /nfs/dbraw/zinc/95/16/53/711951653.db2.gz WRPSISKRDHMWLH-HOTGVXAUSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@@H+](CCF)C1 ZINC001033143086 711951657 /nfs/dbraw/zinc/95/16/57/711951657.db2.gz WRPSISKRDHMWLH-HOTGVXAUSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@H]1CC[NH+](CCF)C1 ZINC001033143086 711951659 /nfs/dbraw/zinc/95/16/59/711951659.db2.gz WRPSISKRDHMWLH-HOTGVXAUSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@H]1CC[NH+](CCF)C1 ZINC001033143086 711951660 /nfs/dbraw/zinc/95/16/60/711951660.db2.gz WRPSISKRDHMWLH-HOTGVXAUSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033163353 712270912 /nfs/dbraw/zinc/27/09/12/712270912.db2.gz JMUJKMBEMUPAAN-BZUAXINKSA-N 2 2 342.447 1.022 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033163353 712270914 /nfs/dbraw/zinc/27/09/14/712270914.db2.gz JMUJKMBEMUPAAN-BZUAXINKSA-N 2 2 342.447 1.022 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1cc[nH]n1)c1ccccc1 ZINC000370601610 282171027 /nfs/dbraw/zinc/17/10/27/282171027.db2.gz KMOUHEUIANOXJI-MSOLQXFVSA-N 2 2 341.459 1.966 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1)c1ccccc1 ZINC000370601610 282171031 /nfs/dbraw/zinc/17/10/31/282171031.db2.gz KMOUHEUIANOXJI-MSOLQXFVSA-N 2 2 341.459 1.966 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1c(F)cccc1F ZINC000188776179 282179430 /nfs/dbraw/zinc/17/94/30/282179430.db2.gz IUCZJGUCMNLAPG-AWEZNQCLSA-N 2 2 349.385 1.366 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1c(F)cccc1F ZINC000115810382 282175553 /nfs/dbraw/zinc/17/55/53/282175553.db2.gz PXORZNHXWNKVRF-WFASDCNBSA-N 2 2 340.418 1.961 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)c1c(F)cccc1F ZINC000115810382 282175554 /nfs/dbraw/zinc/17/55/54/282175554.db2.gz PXORZNHXWNKVRF-WFASDCNBSA-N 2 2 340.418 1.961 20 0 EDADLP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CC(=O)N(C)C1=O ZINC000559079333 306250089 /nfs/dbraw/zinc/25/00/89/306250089.db2.gz DHOKKQFAWIFHDQ-AWEZNQCLSA-N 2 2 332.429 1.903 20 0 EDADLP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CC(=O)N(C)C1=O ZINC000559079333 306250090 /nfs/dbraw/zinc/25/00/90/306250090.db2.gz DHOKKQFAWIFHDQ-AWEZNQCLSA-N 2 2 332.429 1.903 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000559636993 306257230 /nfs/dbraw/zinc/25/72/30/306257230.db2.gz SPKJQKMZDQVOFU-DOTOQJQBSA-N 2 2 345.443 1.796 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000559636993 306257231 /nfs/dbraw/zinc/25/72/31/306257231.db2.gz SPKJQKMZDQVOFU-DOTOQJQBSA-N 2 2 345.443 1.796 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000330005403 539488023 /nfs/dbraw/zinc/48/80/23/539488023.db2.gz BXJWRAFCEZTSGJ-HNNXBMFYSA-N 2 2 342.447 1.533 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000330005403 539488028 /nfs/dbraw/zinc/48/80/28/539488028.db2.gz BXJWRAFCEZTSGJ-HNNXBMFYSA-N 2 2 342.447 1.533 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000342476036 539761898 /nfs/dbraw/zinc/76/18/98/539761898.db2.gz SWKJTTCURLKZPG-GOSISDBHSA-N 2 2 349.475 1.006 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000342476036 539761900 /nfs/dbraw/zinc/76/19/00/539761900.db2.gz SWKJTTCURLKZPG-GOSISDBHSA-N 2 2 349.475 1.006 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000562443665 306298846 /nfs/dbraw/zinc/29/88/46/306298846.db2.gz MTZDEVBNRZAXJD-QGZVFWFLSA-N 2 2 337.439 1.286 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000562443665 306298847 /nfs/dbraw/zinc/29/88/47/306298847.db2.gz MTZDEVBNRZAXJD-QGZVFWFLSA-N 2 2 337.439 1.286 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000562443665 306298848 /nfs/dbraw/zinc/29/88/48/306298848.db2.gz MTZDEVBNRZAXJD-QGZVFWFLSA-N 2 2 337.439 1.286 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000562443665 306298849 /nfs/dbraw/zinc/29/88/49/306298849.db2.gz MTZDEVBNRZAXJD-QGZVFWFLSA-N 2 2 337.439 1.286 20 0 EDADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000562789129 306309041 /nfs/dbraw/zinc/30/90/41/306309041.db2.gz LYGPWVQKVXPYNZ-HOCLYGCPSA-N 2 2 331.464 1.869 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c2[nH+]ccn21 ZINC000562938642 306312963 /nfs/dbraw/zinc/31/29/63/306312963.db2.gz CNLZLLCMEQOLFD-UKRRQHHQSA-N 2 2 340.431 1.466 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494943156 540052593 /nfs/dbraw/zinc/05/25/93/540052593.db2.gz UJILUZFLEBDASB-AWEZNQCLSA-N 2 2 334.489 1.759 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494943156 540052595 /nfs/dbraw/zinc/05/25/95/540052595.db2.gz UJILUZFLEBDASB-AWEZNQCLSA-N 2 2 334.489 1.759 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCC[NH+]3CCSCC3)nc[nH+]2)C1 ZINC000563305167 306326829 /nfs/dbraw/zinc/32/68/29/306326829.db2.gz HSSIREAEPLLAMO-KGLIPLIRSA-N 2 2 337.493 1.144 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000184541294 540144407 /nfs/dbraw/zinc/14/44/07/540144407.db2.gz RMJPJEAPOKAKPF-UHFFFAOYSA-N 2 2 345.237 1.582 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000184541294 540144409 /nfs/dbraw/zinc/14/44/09/540144409.db2.gz RMJPJEAPOKAKPF-UHFFFAOYSA-N 2 2 345.237 1.582 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000563348712 306328726 /nfs/dbraw/zinc/32/87/26/306328726.db2.gz MVPRXQBWFQCBDP-TZMCWYRMSA-N 2 2 341.402 1.758 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000563348712 306328727 /nfs/dbraw/zinc/32/87/27/306328727.db2.gz MVPRXQBWFQCBDP-TZMCWYRMSA-N 2 2 341.402 1.758 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193694856 540183618 /nfs/dbraw/zinc/18/36/18/540183618.db2.gz IYTZBLRBDHUYDL-UHFFFAOYSA-N 2 2 331.464 1.821 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000563429621 306332517 /nfs/dbraw/zinc/33/25/17/306332517.db2.gz WYYUVSJMGADQIJ-INIZCTEOSA-N 2 2 345.447 1.029 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000563429621 306332518 /nfs/dbraw/zinc/33/25/18/306332518.db2.gz WYYUVSJMGADQIJ-INIZCTEOSA-N 2 2 345.447 1.029 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc2n1C ZINC000563489460 306335340 /nfs/dbraw/zinc/33/53/40/306335340.db2.gz ZCAAHDIXOYXATL-AWEZNQCLSA-N 2 2 345.447 1.652 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c2[nH+]ccn21 ZINC000563516506 306336503 /nfs/dbraw/zinc/33/65/03/306336503.db2.gz VKIZSIMGYKHKEV-RBSFLKMASA-N 2 2 335.452 1.641 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000072860537 138211138 /nfs/dbraw/zinc/21/11/38/138211138.db2.gz CBSUYGJFZPCFNC-ZDUSSCGKSA-N 2 2 325.403 1.855 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000072860537 138211139 /nfs/dbraw/zinc/21/11/39/138211139.db2.gz CBSUYGJFZPCFNC-ZDUSSCGKSA-N 2 2 325.403 1.855 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000072860537 138211140 /nfs/dbraw/zinc/21/11/40/138211140.db2.gz CBSUYGJFZPCFNC-ZDUSSCGKSA-N 2 2 325.403 1.855 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000072860537 138211141 /nfs/dbraw/zinc/21/11/41/138211141.db2.gz CBSUYGJFZPCFNC-ZDUSSCGKSA-N 2 2 325.403 1.855 20 0 EDADLP Cc1cnccc1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000563538132 306338017 /nfs/dbraw/zinc/33/80/17/306338017.db2.gz RPIATOGLMCBIJD-IBGZPJMESA-N 2 2 349.438 1.821 20 0 EDADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322001 138231391 /nfs/dbraw/zinc/23/13/91/138231391.db2.gz FRQXQGIQYSXTKJ-UHFFFAOYSA-N 2 2 344.459 1.571 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322001 138231392 /nfs/dbraw/zinc/23/13/92/138231392.db2.gz FRQXQGIQYSXTKJ-UHFFFAOYSA-N 2 2 344.459 1.571 20 0 EDADLP CC[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767781 138238882 /nfs/dbraw/zinc/23/88/82/138238882.db2.gz FGJUQIGDUWBYAA-HNNXBMFYSA-N 2 2 326.485 1.007 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000076897871 138250276 /nfs/dbraw/zinc/25/02/76/138250276.db2.gz FSQYZQIQSDFBOT-HNNXBMFYSA-N 2 2 329.448 1.683 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000078982231 138259679 /nfs/dbraw/zinc/25/96/79/138259679.db2.gz NDPZTYHNCVNBCJ-SFHVURJKSA-N 2 2 346.475 1.407 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000088390971 138272367 /nfs/dbraw/zinc/27/23/67/138272367.db2.gz PIOYIVRHZOVGLY-CYBMUJFWSA-N 2 2 331.424 1.927 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003916 138277312 /nfs/dbraw/zinc/27/73/12/138277312.db2.gz YPSLLDURGLEAPP-UONOGXRCSA-N 2 2 328.420 1.492 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003916 138277313 /nfs/dbraw/zinc/27/73/13/138277313.db2.gz YPSLLDURGLEAPP-UONOGXRCSA-N 2 2 328.420 1.492 20 0 EDADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000091282980 138283846 /nfs/dbraw/zinc/28/38/46/138283846.db2.gz HHXJRIDRQXFCTA-ZDUSSCGKSA-N 2 2 344.440 1.875 20 0 EDADLP Cc1cccn2c(CN3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c[nH+]c12 ZINC000093821232 138294840 /nfs/dbraw/zinc/29/48/40/138294840.db2.gz YAUGNNITWKQUQT-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1cccn2c(CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c[nH+]c12 ZINC000093821232 138294841 /nfs/dbraw/zinc/29/48/41/138294841.db2.gz YAUGNNITWKQUQT-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000106546282 138303183 /nfs/dbraw/zinc/30/31/83/138303183.db2.gz UKMMGVZJIHRRNN-HNNXBMFYSA-N 2 2 335.452 1.757 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])Oc1ccccc1C ZINC000563588490 306340102 /nfs/dbraw/zinc/34/01/02/306340102.db2.gz PTMBWCPANIJAKD-HZPDHXFCSA-N 2 2 334.464 1.437 20 0 EDADLP CCCCCn1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)n1 ZINC000563588168 306340116 /nfs/dbraw/zinc/34/01/16/306340116.db2.gz XSDGZIGOVDCRIK-MRXNPFEDSA-N 2 2 336.484 1.166 20 0 EDADLP Cn1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000124632185 138328455 /nfs/dbraw/zinc/32/84/55/138328455.db2.gz GHWWSASZOVGXPW-UHFFFAOYSA-N 2 2 327.432 1.249 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000123562672 138319426 /nfs/dbraw/zinc/31/94/26/138319426.db2.gz SXGIQSRABMVUDW-CQSZACIVSA-N 2 2 347.463 1.395 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000123562672 138319427 /nfs/dbraw/zinc/31/94/27/138319427.db2.gz SXGIQSRABMVUDW-CQSZACIVSA-N 2 2 347.463 1.395 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)O1 ZINC000413399987 304060298 /nfs/dbraw/zinc/06/02/98/304060298.db2.gz JUQNJIKMCXFMDJ-ILXRZTDVSA-N 2 2 326.485 1.125 20 0 EDADLP CC[NH+]1CCC(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000563868915 306350705 /nfs/dbraw/zinc/35/07/05/306350705.db2.gz XMKHJYPSHPHYGS-NVXWUHKLSA-N 2 2 338.496 1.223 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](CO)[C@@H]3CCCO3)sc2C1 ZINC000447969286 305289904 /nfs/dbraw/zinc/28/99/04/305289904.db2.gz VSFKBQMKRAHRQW-KGLIPLIRSA-N 2 2 325.478 1.539 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](CO)[C@@H]3CCCO3)sc2C1 ZINC000447969286 305289905 /nfs/dbraw/zinc/28/99/05/305289905.db2.gz VSFKBQMKRAHRQW-KGLIPLIRSA-N 2 2 325.478 1.539 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000189661909 237118109 /nfs/dbraw/zinc/11/81/09/237118109.db2.gz GEAMFIDBIGVGOS-UHFFFAOYSA-N 2 2 342.447 1.893 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000565164545 306376908 /nfs/dbraw/zinc/37/69/08/306376908.db2.gz NVOFXZKWOJWBBQ-LJQANCHMSA-N 2 2 345.487 1.856 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000565164545 306376909 /nfs/dbraw/zinc/37/69/09/306376909.db2.gz NVOFXZKWOJWBBQ-LJQANCHMSA-N 2 2 345.487 1.856 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000565164545 306376910 /nfs/dbraw/zinc/37/69/10/306376910.db2.gz NVOFXZKWOJWBBQ-LJQANCHMSA-N 2 2 345.487 1.856 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000565164545 306376911 /nfs/dbraw/zinc/37/69/11/306376911.db2.gz NVOFXZKWOJWBBQ-LJQANCHMSA-N 2 2 345.487 1.856 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)C2 ZINC000565406465 306382988 /nfs/dbraw/zinc/38/29/88/306382988.db2.gz DINHBVSODKOSJY-KGLIPLIRSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)C2 ZINC000565406465 306382989 /nfs/dbraw/zinc/38/29/89/306382989.db2.gz DINHBVSODKOSJY-KGLIPLIRSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)CC2 ZINC000565406465 306382990 /nfs/dbraw/zinc/38/29/90/306382990.db2.gz DINHBVSODKOSJY-KGLIPLIRSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)CC2 ZINC000565406465 306382991 /nfs/dbraw/zinc/38/29/91/306382991.db2.gz DINHBVSODKOSJY-KGLIPLIRSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000565409192 306383256 /nfs/dbraw/zinc/38/32/56/306383256.db2.gz SCKYOOYVXLXYEZ-UHFFFAOYSA-N 2 2 338.496 1.271 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)CCN2C1=O ZINC000565491705 306385078 /nfs/dbraw/zinc/38/50/78/306385078.db2.gz QNMYIUGQRGMKOL-ZIAGYGMSSA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)CCN2C1=O ZINC000565491705 306385079 /nfs/dbraw/zinc/38/50/79/306385079.db2.gz QNMYIUGQRGMKOL-ZIAGYGMSSA-N 2 2 346.818 1.739 20 0 EDADLP C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000344745028 296035089 /nfs/dbraw/zinc/03/50/89/296035089.db2.gz GIMZEVBUMBFQOW-CQSZACIVSA-N 2 2 340.512 1.022 20 0 EDADLP C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344745028 296035091 /nfs/dbraw/zinc/03/50/91/296035091.db2.gz GIMZEVBUMBFQOW-CQSZACIVSA-N 2 2 340.512 1.022 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCCO1 ZINC000565705350 306389043 /nfs/dbraw/zinc/38/90/43/306389043.db2.gz NLUVQCUHQWXJQO-INIZCTEOSA-N 2 2 329.404 1.132 20 0 EDADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000285110141 201331470 /nfs/dbraw/zinc/33/14/70/201331470.db2.gz REPXIESZTFLKGB-RTBURBONSA-N 2 2 330.476 1.990 20 0 EDADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000285110141 201331472 /nfs/dbraw/zinc/33/14/72/201331472.db2.gz REPXIESZTFLKGB-RTBURBONSA-N 2 2 330.476 1.990 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCCC(=O)N2CCc3ccccc32)n1C ZINC000414348076 304109555 /nfs/dbraw/zinc/10/95/55/304109555.db2.gz IGHYGVJBELCPLS-UHFFFAOYSA-N 2 2 341.459 1.945 20 0 EDADLP C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105298107 296053934 /nfs/dbraw/zinc/05/39/34/296053934.db2.gz QCWNBXPQSNERRU-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP CCC[NH+]1CCC([NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC000565832949 306392734 /nfs/dbraw/zinc/39/27/34/306392734.db2.gz FLBDABHMRUDPOU-HNNXBMFYSA-N 2 2 338.473 1.685 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC000565946450 306395060 /nfs/dbraw/zinc/39/50/60/306395060.db2.gz SSNGVOQCNXMEQV-PBHICJAKSA-N 2 2 326.868 1.801 20 0 EDADLP O=C(CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)NC1CC1 ZINC000070703449 203080715 /nfs/dbraw/zinc/08/07/15/203080715.db2.gz YEQFNEZGAHDMJR-UHFFFAOYSA-N 2 2 339.443 1.269 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2cccc(COC)c2)C1 ZINC000072858488 203249996 /nfs/dbraw/zinc/24/99/96/203249996.db2.gz FHBKDTZFMBGQHT-GOSISDBHSA-N 2 2 333.476 1.723 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2cccc(COC)c2)C1 ZINC000072858488 203250001 /nfs/dbraw/zinc/25/00/01/203250001.db2.gz FHBKDTZFMBGQHT-GOSISDBHSA-N 2 2 333.476 1.723 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2cccc(COC)c2)C1 ZINC000072858488 203250003 /nfs/dbraw/zinc/25/00/03/203250003.db2.gz FHBKDTZFMBGQHT-GOSISDBHSA-N 2 2 333.476 1.723 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(COC)c2)C1 ZINC000072858488 203250008 /nfs/dbraw/zinc/25/00/08/203250008.db2.gz FHBKDTZFMBGQHT-GOSISDBHSA-N 2 2 333.476 1.723 20 0 EDADLP CC[NH+]1CCN(CCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000072971788 203253338 /nfs/dbraw/zinc/25/33/38/203253338.db2.gz UDWWRSQLAZVXBF-UHFFFAOYSA-N 2 2 327.432 1.838 20 0 EDADLP CO[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000076343420 203349539 /nfs/dbraw/zinc/34/95/39/203349539.db2.gz SINXRLIQNMREEG-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP CO[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000076343420 203349541 /nfs/dbraw/zinc/34/95/41/203349541.db2.gz SINXRLIQNMREEG-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000076944110 203367053 /nfs/dbraw/zinc/36/70/53/203367053.db2.gz ARUKBNRAQRBCDK-QGZVFWFLSA-N 2 2 346.475 1.235 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000076944110 203367055 /nfs/dbraw/zinc/36/70/55/203367055.db2.gz ARUKBNRAQRBCDK-QGZVFWFLSA-N 2 2 346.475 1.235 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000567148780 306439457 /nfs/dbraw/zinc/43/94/57/306439457.db2.gz QTKLMLSVZDKAPV-INIZCTEOSA-N 2 2 329.404 1.050 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[NH2+]CCO2)CC1 ZINC000415096156 304159571 /nfs/dbraw/zinc/15/95/71/304159571.db2.gz PBAXHBWDXUZDLQ-SFHVURJKSA-N 3 2 332.492 1.297 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000108372337 204261765 /nfs/dbraw/zinc/26/17/65/204261765.db2.gz YDDAMTDERMJLBT-SFHVURJKSA-N 2 2 349.475 1.847 20 0 EDADLP COC(=O)[C@H](CC(C)C)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367133260 284270800 /nfs/dbraw/zinc/27/08/00/284270800.db2.gz LBVNWIBDAIRRFI-IRXDYDNUSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@H](CC(C)C)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367133260 284270802 /nfs/dbraw/zinc/27/08/02/284270802.db2.gz LBVNWIBDAIRRFI-IRXDYDNUSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367133260 284270803 /nfs/dbraw/zinc/27/08/03/284270803.db2.gz LBVNWIBDAIRRFI-IRXDYDNUSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367133260 284270805 /nfs/dbraw/zinc/27/08/05/284270805.db2.gz LBVNWIBDAIRRFI-IRXDYDNUSA-N 2 2 325.497 1.674 20 0 EDADLP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)C[NH+]1CCCC1 ZINC000110637731 220051729 /nfs/dbraw/zinc/05/17/29/220051729.db2.gz JMCWXZHFWJUUFN-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)s1 ZINC000567379593 306449752 /nfs/dbraw/zinc/44/97/52/306449752.db2.gz UXKOGHHCGFULIE-ZDUSSCGKSA-N 2 2 331.445 1.964 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C3CC[NH2+]CC3)CC2)c1 ZINC000237257993 139045734 /nfs/dbraw/zinc/04/57/34/139045734.db2.gz MCEMKAQTNCISNV-UHFFFAOYSA-N 2 2 347.459 1.218 20 0 EDADLP C[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000126703147 205066998 /nfs/dbraw/zinc/06/69/98/205066998.db2.gz JZFVAEAIZSFZTN-FUHWJXTLSA-N 2 2 327.476 1.972 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccnc2)C1 ZINC000127769143 205117901 /nfs/dbraw/zinc/11/79/01/205117901.db2.gz OOZSKOIUWALUQG-WMZOPIPTSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccnc2)C1 ZINC000127769143 205117902 /nfs/dbraw/zinc/11/79/02/205117902.db2.gz OOZSKOIUWALUQG-WMZOPIPTSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)C1 ZINC000127769143 205117907 /nfs/dbraw/zinc/11/79/07/205117907.db2.gz OOZSKOIUWALUQG-WMZOPIPTSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)C1 ZINC000127769143 205117910 /nfs/dbraw/zinc/11/79/10/205117910.db2.gz OOZSKOIUWALUQG-WMZOPIPTSA-N 2 2 348.491 1.547 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)CC2 ZINC000237408644 139050367 /nfs/dbraw/zinc/05/03/67/139050367.db2.gz NBDCEIVMDHGYKT-KGLIPLIRSA-N 2 2 347.459 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)CC2 ZINC000237408644 139050368 /nfs/dbraw/zinc/05/03/68/139050368.db2.gz NBDCEIVMDHGYKT-KGLIPLIRSA-N 2 2 347.459 1.271 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000130149647 205224760 /nfs/dbraw/zinc/22/47/60/205224760.db2.gz SYCZSZOYAFUSEU-LJQANCHMSA-N 2 2 345.487 1.785 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000130149647 205224765 /nfs/dbraw/zinc/22/47/65/205224765.db2.gz SYCZSZOYAFUSEU-LJQANCHMSA-N 2 2 345.487 1.785 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000237471137 139051992 /nfs/dbraw/zinc/05/19/92/139051992.db2.gz DGKTYGSZVDYCPU-LBPRGKRZSA-N 2 2 348.428 1.302 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000158617353 205351858 /nfs/dbraw/zinc/35/18/58/205351858.db2.gz PFEXTKFRPYTKBV-PBHICJAKSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000158617353 205351864 /nfs/dbraw/zinc/35/18/64/205351864.db2.gz PFEXTKFRPYTKBV-PBHICJAKSA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000158617353 205351869 /nfs/dbraw/zinc/35/18/69/205351869.db2.gz PFEXTKFRPYTKBV-PBHICJAKSA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000158617353 205351875 /nfs/dbraw/zinc/35/18/75/205351875.db2.gz PFEXTKFRPYTKBV-PBHICJAKSA-N 2 2 337.414 1.997 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158538183 205343235 /nfs/dbraw/zinc/34/32/35/205343235.db2.gz ZQTGEKNLRLDNOB-QGZVFWFLSA-N 2 2 340.475 1.734 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000158995639 205389124 /nfs/dbraw/zinc/38/91/24/205389124.db2.gz AXVYCSPXAHEORS-OAHLLOKOSA-N 2 2 339.915 1.984 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000158995639 205389126 /nfs/dbraw/zinc/38/91/26/205389126.db2.gz AXVYCSPXAHEORS-OAHLLOKOSA-N 2 2 339.915 1.984 20 0 EDADLP Cc1ccc(O)c(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000237761699 139059803 /nfs/dbraw/zinc/05/98/03/139059803.db2.gz KIGILIALXSNBSF-KRWDZBQOSA-N 2 2 327.428 1.604 20 0 EDADLP Cc1ccc(O)c(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000237761699 139059804 /nfs/dbraw/zinc/05/98/04/139059804.db2.gz KIGILIALXSNBSF-KRWDZBQOSA-N 2 2 327.428 1.604 20 0 EDADLP O=C(CC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000238140488 139069528 /nfs/dbraw/zinc/06/95/28/139069528.db2.gz XPTJUTCDWIRAPB-UHFFFAOYSA-N 2 2 331.460 1.525 20 0 EDADLP [NH3+]C[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000155732108 206029655 /nfs/dbraw/zinc/02/96/55/206029655.db2.gz ABPGCXDLRYMRAA-KRWDZBQOSA-N 2 2 345.491 1.227 20 0 EDADLP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)CC1 ZINC000497247889 284452489 /nfs/dbraw/zinc/45/24/89/284452489.db2.gz BJGCVQIDEDWTEO-RDJZCZTQSA-N 2 2 333.432 1.618 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156959003 206108900 /nfs/dbraw/zinc/10/89/00/206108900.db2.gz YALVGWCMRSGCNM-NVXWUHKLSA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156959003 206108905 /nfs/dbraw/zinc/10/89/05/206108905.db2.gz YALVGWCMRSGCNM-NVXWUHKLSA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156959003 206108909 /nfs/dbraw/zinc/10/89/09/206108909.db2.gz YALVGWCMRSGCNM-NVXWUHKLSA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156959003 206108911 /nfs/dbraw/zinc/10/89/11/206108911.db2.gz YALVGWCMRSGCNM-NVXWUHKLSA-N 2 2 346.475 1.817 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H]1C ZINC000246224035 139099943 /nfs/dbraw/zinc/09/99/43/139099943.db2.gz HAINSHRDFSKNMV-CRAIPNDOSA-N 2 2 331.460 1.270 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H]1C ZINC000246224035 139099944 /nfs/dbraw/zinc/09/99/44/139099944.db2.gz HAINSHRDFSKNMV-CRAIPNDOSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246656974 139116666 /nfs/dbraw/zinc/11/66/66/139116666.db2.gz RLYBCRPWTNFZIU-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246656974 139116667 /nfs/dbraw/zinc/11/66/67/139116667.db2.gz RLYBCRPWTNFZIU-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000246750747 139120319 /nfs/dbraw/zinc/12/03/19/139120319.db2.gz ZVFKXVBTHXBDCN-SQWLQELKSA-N 2 2 339.505 1.953 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246997065 139130575 /nfs/dbraw/zinc/13/05/75/139130575.db2.gz HYJKMODCIHNXLA-RBUKOAKNSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246997065 139130576 /nfs/dbraw/zinc/13/05/76/139130576.db2.gz HYJKMODCIHNXLA-RBUKOAKNSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246997065 139130577 /nfs/dbraw/zinc/13/05/77/139130577.db2.gz HYJKMODCIHNXLA-RBUKOAKNSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246997065 139130578 /nfs/dbraw/zinc/13/05/78/139130578.db2.gz HYJKMODCIHNXLA-RBUKOAKNSA-N 2 2 345.487 1.686 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(CC[NH2+]C3CC3)n2)c1 ZINC000568169569 306474382 /nfs/dbraw/zinc/47/43/82/306474382.db2.gz NUHMXIOUBZITTH-UHFFFAOYSA-N 2 2 328.416 1.863 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150534 206397942 /nfs/dbraw/zinc/39/79/42/206397942.db2.gz YBKCDCIUTQNXJU-MSOLQXFVSA-N 2 2 337.508 1.822 20 0 EDADLP [NH3+]Cc1nc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000261602144 139209780 /nfs/dbraw/zinc/20/97/80/139209780.db2.gz QJPFZMQMHIRCLF-AWEZNQCLSA-N 2 2 346.456 1.233 20 0 EDADLP [NH3+]Cc1nc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000261602144 139209781 /nfs/dbraw/zinc/20/97/81/139209781.db2.gz QJPFZMQMHIRCLF-AWEZNQCLSA-N 2 2 346.456 1.233 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000261612942 139211068 /nfs/dbraw/zinc/21/10/68/139211068.db2.gz DXHCMHPUIXJDTC-WMZOPIPTSA-N 2 2 330.476 1.752 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000261800178 139227148 /nfs/dbraw/zinc/22/71/48/139227148.db2.gz ZXWZBDBYGAZKDS-IKGGRYGDSA-N 2 2 344.459 1.455 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(F)cc1Cl ZINC000261911795 139236250 /nfs/dbraw/zinc/23/62/50/139236250.db2.gz QKDAFUWJGIYKRW-CYBMUJFWSA-N 2 2 340.830 1.397 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(F)cc1Cl ZINC000261911795 139236251 /nfs/dbraw/zinc/23/62/51/139236251.db2.gz QKDAFUWJGIYKRW-CYBMUJFWSA-N 2 2 340.830 1.397 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000262059247 139247377 /nfs/dbraw/zinc/24/73/77/139247377.db2.gz NSDTYUXHHCNMRU-YESZJQIVSA-N 2 2 333.432 1.063 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])COC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262078821 139249211 /nfs/dbraw/zinc/24/92/11/139249211.db2.gz QFTIPZVANKVXMT-QLFBSQMISA-N 2 2 343.830 1.704 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])COC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262078821 139249212 /nfs/dbraw/zinc/24/92/12/139249212.db2.gz QFTIPZVANKVXMT-QLFBSQMISA-N 2 2 343.830 1.704 20 0 EDADLP [NH3+]CC1(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCOCC1 ZINC000262099899 139250876 /nfs/dbraw/zinc/25/08/76/139250876.db2.gz DOTKMSWGXMXKCL-UHFFFAOYSA-N 2 2 328.416 1.303 20 0 EDADLP OCc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)o1 ZINC000174308193 207009525 /nfs/dbraw/zinc/00/95/25/207009525.db2.gz PMVBZOAOQMJPKB-UHFFFAOYSA-N 2 2 346.427 1.773 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262136252 139254001 /nfs/dbraw/zinc/25/40/01/139254001.db2.gz YTWPDPZHANHGGV-SFHVURJKSA-N 2 2 332.448 1.905 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000262136252 139254002 /nfs/dbraw/zinc/25/40/02/139254002.db2.gz YTWPDPZHANHGGV-SFHVURJKSA-N 2 2 332.448 1.905 20 0 EDADLP CCN1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@H]1c1[nH]cc[nH+]1 ZINC000416036167 251051048 /nfs/dbraw/zinc/05/10/48/251051048.db2.gz XPVIYMBTCKXSPZ-WDEREUQCSA-N 2 2 348.373 1.078 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)C1(C[NH3+])CCOCC1)C2 ZINC000262290470 139267069 /nfs/dbraw/zinc/26/70/69/139267069.db2.gz OQYCYOYXKZVCAA-CYBMUJFWSA-N 2 2 334.464 1.367 20 0 EDADLP [NH3+]C[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416882927 251117606 /nfs/dbraw/zinc/11/76/06/251117606.db2.gz ASEGIOLCLLYGDL-WBVHZDCISA-N 2 2 332.448 1.050 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000417016407 251134285 /nfs/dbraw/zinc/13/42/85/251134285.db2.gz GDCJCQNKSGYRQP-ZNMIVQPWSA-N 2 2 346.466 1.898 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000417016407 251134289 /nfs/dbraw/zinc/13/42/89/251134289.db2.gz GDCJCQNKSGYRQP-ZNMIVQPWSA-N 2 2 346.466 1.898 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+]2CCOCC2)c1 ZINC000416997021 251123178 /nfs/dbraw/zinc/12/31/78/251123178.db2.gz NXDGVYDCKIILAW-RYQLBKOJSA-N 2 2 346.475 1.499 20 0 EDADLP C[NH2+]CCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000417000319 251124773 /nfs/dbraw/zinc/12/47/73/251124773.db2.gz RJSDCXGXVCKTBX-UHFFFAOYSA-N 2 2 339.443 1.663 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N[C@H](C)CCC[NH3+])[NH+]2CCOCC2)c1 ZINC000416999067 251125483 /nfs/dbraw/zinc/12/54/83/251125483.db2.gz PYFKYCHIEPHOSL-SJLPKXTDSA-N 2 2 348.491 1.795 20 0 EDADLP O=C(NCCC[C@@H]1CCC[NH2+]1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000417086964 251141619 /nfs/dbraw/zinc/14/16/19/251141619.db2.gz ZAPUTWOLWSFTPT-HNNXBMFYSA-N 2 2 331.464 1.882 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]1 ZINC000417271685 251151993 /nfs/dbraw/zinc/15/19/93/251151993.db2.gz RDCKXFHAEXSQHS-OCCSQVGLSA-N 2 2 331.395 1.951 20 0 EDADLP C[NH2+]C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417272213 251152438 /nfs/dbraw/zinc/15/24/38/251152438.db2.gz TXHIZWOCJCMESK-AWEZNQCLSA-N 2 2 331.395 1.762 20 0 EDADLP CCSCC[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175836781 207163966 /nfs/dbraw/zinc/16/39/66/207163966.db2.gz YDMRKGVBGAXMEW-CQSZACIVSA-N 2 2 330.542 1.843 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c[nH+]2)C[C@@H](C)O1 ZINC000262434732 139278824 /nfs/dbraw/zinc/27/88/24/139278824.db2.gz SBQZFASCBPOPSW-HWMZRRJGSA-N 2 2 346.475 1.700 20 0 EDADLP COCC1(CNC(=O)NCc2[nH+]ccn2CC(C)C)CC[NH2+]CC1 ZINC000417742209 251252916 /nfs/dbraw/zinc/25/29/16/251252916.db2.gz VWAXRWGMEMOYNX-UHFFFAOYSA-N 2 2 337.468 1.355 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417813369 251281103 /nfs/dbraw/zinc/28/11/03/251281103.db2.gz GJUORCXIQJBUOL-MCIONIFRSA-N 2 2 340.493 1.417 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417813369 251281107 /nfs/dbraw/zinc/28/11/07/251281107.db2.gz GJUORCXIQJBUOL-MCIONIFRSA-N 2 2 340.493 1.417 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417825194 251285090 /nfs/dbraw/zinc/28/50/90/251285090.db2.gz LOZOVCPOJUOZRJ-HZSPNIEDSA-N 2 2 340.493 1.404 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417825194 251285097 /nfs/dbraw/zinc/28/50/97/251285097.db2.gz LOZOVCPOJUOZRJ-HZSPNIEDSA-N 2 2 340.493 1.404 20 0 EDADLP CCn1nncc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000417874999 251309941 /nfs/dbraw/zinc/30/99/41/251309941.db2.gz LADFLPOSUADXFZ-UHFFFAOYSA-N 2 2 345.447 1.299 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000418423360 251367014 /nfs/dbraw/zinc/36/70/14/251367014.db2.gz BZZMOUIRIZAPPX-OAHLLOKOSA-N 3 2 327.517 1.027 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418423360 251367018 /nfs/dbraw/zinc/36/70/18/251367018.db2.gz BZZMOUIRIZAPPX-OAHLLOKOSA-N 3 2 327.517 1.027 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000418437563 251370337 /nfs/dbraw/zinc/37/03/37/251370337.db2.gz YJDCYHFTGHCABE-GOSISDBHSA-N 2 2 339.443 1.609 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@H](C)C2C[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000262545655 139285446 /nfs/dbraw/zinc/28/54/46/139285446.db2.gz NZRDTCVAXWIIHA-WBMJQRKESA-N 2 2 328.416 1.490 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418686598 251385566 /nfs/dbraw/zinc/38/55/66/251385566.db2.gz PDZPUKMPONYFKK-SOUVJXGZSA-N 2 2 338.402 1.286 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000262624629 139290972 /nfs/dbraw/zinc/29/09/72/139290972.db2.gz AXYSYUXAUUGPTB-UHFFFAOYSA-N 2 2 330.476 1.762 20 0 EDADLP FC(F)(F)COc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccn1 ZINC000422869295 252006808 /nfs/dbraw/zinc/00/68/08/252006808.db2.gz XFHBGXGLWFTNOK-UKRRQHHQSA-N 2 2 345.365 1.879 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000422875516 252008357 /nfs/dbraw/zinc/00/83/57/252008357.db2.gz OZCNAAINBITDHV-SFHVURJKSA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000422875516 252008361 /nfs/dbraw/zinc/00/83/61/252008361.db2.gz OZCNAAINBITDHV-SFHVURJKSA-N 2 2 335.492 1.478 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422893477 252013664 /nfs/dbraw/zinc/01/36/64/252013664.db2.gz QSJBKRYXDYCWAV-QZTJIDSGSA-N 3 2 330.520 1.912 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422867677 252004701 /nfs/dbraw/zinc/00/47/01/252004701.db2.gz SUATVGAZCNSMSV-YPMHNXCESA-N 2 2 333.354 1.879 20 0 EDADLP FC(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423094247 252036788 /nfs/dbraw/zinc/03/67/88/252036788.db2.gz BLAFTCNRAYNRGW-ZNMIVQPWSA-N 2 2 341.402 1.972 20 0 EDADLP [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)cc2C1 ZINC000423514978 252057782 /nfs/dbraw/zinc/05/77/82/252057782.db2.gz SMEGQMNOQOBWNM-KBXCAEBGSA-N 2 2 344.459 1.480 20 0 EDADLP [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3COCC[N@H+]3C3CCCC3)cc2C1 ZINC000423514978 252057787 /nfs/dbraw/zinc/05/77/87/252057787.db2.gz SMEGQMNOQOBWNM-KBXCAEBGSA-N 2 2 344.459 1.480 20 0 EDADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1OCC(=O)N(C)C ZINC000423511248 252058289 /nfs/dbraw/zinc/05/82/89/252058289.db2.gz KGPDTUJZYRWZPX-RDJZCZTQSA-N 2 2 349.475 1.573 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)[C@H](C)C1 ZINC000423865092 252096384 /nfs/dbraw/zinc/09/63/84/252096384.db2.gz ZXDDQCPGIHDLRX-CVEARBPZSA-N 2 2 345.487 1.974 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)[C@H](C)C1 ZINC000423865092 252096388 /nfs/dbraw/zinc/09/63/88/252096388.db2.gz ZXDDQCPGIHDLRX-CVEARBPZSA-N 2 2 345.487 1.974 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[C@@H](C[NH3+])OC)[C@@H](C)C1 ZINC000423864221 252096687 /nfs/dbraw/zinc/09/66/87/252096687.db2.gz YKYHHPLVRUIYDX-RDJZCZTQSA-N 2 2 349.475 1.482 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C[C@@H](C[NH3+])OC)[C@@H](C)C1 ZINC000423864221 252096692 /nfs/dbraw/zinc/09/66/92/252096692.db2.gz YKYHHPLVRUIYDX-RDJZCZTQSA-N 2 2 349.475 1.482 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CCN1C ZINC000423867418 252098471 /nfs/dbraw/zinc/09/84/71/252098471.db2.gz MNKJACBNCCQOGL-HZPDHXFCSA-N 2 2 327.432 1.325 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424024237 252117126 /nfs/dbraw/zinc/11/71/26/252117126.db2.gz WHXPXGBQICHWHR-UHFFFAOYSA-N 3 2 339.443 1.217 20 0 EDADLP [NH3+]C[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)cc1 ZINC000423809286 252085613 /nfs/dbraw/zinc/08/56/13/252085613.db2.gz YKCBKQADWHTAIZ-CVEARBPZSA-N 2 2 328.391 1.658 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nccc(OC)n2)CC1 ZINC000424192354 252157826 /nfs/dbraw/zinc/15/78/26/252157826.db2.gz RXOAFRXRADKLBT-UHFFFAOYSA-N 2 2 341.459 1.917 20 0 EDADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000569675732 306515282 /nfs/dbraw/zinc/51/52/82/306515282.db2.gz RMSKJKIXTSNWJL-GOEBONIOSA-N 2 2 331.464 1.869 20 0 EDADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424301143 252192401 /nfs/dbraw/zinc/19/24/01/252192401.db2.gz XEZZQDPRBKKEHS-LLVKDONJSA-N 2 2 346.460 1.607 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000424340856 252198172 /nfs/dbraw/zinc/19/81/72/252198172.db2.gz YZUNMISBMFMUJA-ZTFGCOKTSA-N 2 2 348.466 1.722 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000424335826 252198346 /nfs/dbraw/zinc/19/83/46/252198346.db2.gz PIFMHJJBPVHVAC-KLHDSHLOSA-N 2 2 347.459 1.533 20 0 EDADLP CCCN(C(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000569944785 306526565 /nfs/dbraw/zinc/52/65/65/306526565.db2.gz HNVLHOIYYUEHGJ-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415674796 304254083 /nfs/dbraw/zinc/25/40/83/304254083.db2.gz LHCCMDHZRZYHSX-SWLSCSKDSA-N 2 2 341.415 1.282 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)[NH+]2CCCC2)o1 ZINC000263319156 139335710 /nfs/dbraw/zinc/33/57/10/139335710.db2.gz ZYUDHBFCKSOPPD-CHWSQXEVSA-N 2 2 327.375 1.838 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCCC[NH2+]1 ZINC000570077629 306529875 /nfs/dbraw/zinc/52/98/75/306529875.db2.gz FYSRXNLJZLQKRA-PBHICJAKSA-N 2 2 337.489 1.847 20 0 EDADLP C[C@@H]1CCCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@@H]1C[NH3+] ZINC000415703420 304259595 /nfs/dbraw/zinc/25/95/95/304259595.db2.gz FWKDRNLKZSYTJH-UKRRQHHQSA-N 2 2 328.420 1.918 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](CC(N)=O)[C@@H](C)c2ccccc2)CC1 ZINC000342079616 285188456 /nfs/dbraw/zinc/18/84/56/285188456.db2.gz VJDGCZHBJQYJEY-HNNXBMFYSA-N 2 2 346.475 1.135 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CC(N)=O)[C@@H](C)c2ccccc2)CC1 ZINC000342079616 285188458 /nfs/dbraw/zinc/18/84/58/285188458.db2.gz VJDGCZHBJQYJEY-HNNXBMFYSA-N 2 2 346.475 1.135 20 0 EDADLP COC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCOCC1 ZINC000446842680 254621377 /nfs/dbraw/zinc/62/13/77/254621377.db2.gz GZPKMIKXRQMJSL-KRWDZBQOSA-N 2 2 328.497 1.907 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000459925120 255009927 /nfs/dbraw/zinc/00/99/27/255009927.db2.gz UDUPUWWBTBLJJP-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000459925120 255009929 /nfs/dbraw/zinc/00/99/29/255009929.db2.gz UDUPUWWBTBLJJP-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP Cc1nc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490076165 255078157 /nfs/dbraw/zinc/07/81/57/255078157.db2.gz NJFDKASUZLRXMN-MRXNPFEDSA-N 2 2 326.448 1.957 20 0 EDADLP Cc1nc(N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490076165 255078159 /nfs/dbraw/zinc/07/81/59/255078159.db2.gz NJFDKASUZLRXMN-MRXNPFEDSA-N 2 2 326.448 1.957 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000493242061 255198796 /nfs/dbraw/zinc/19/87/96/255198796.db2.gz SXYNCHKUQUBJCG-SNAWJCMRSA-N 2 2 332.448 1.822 20 0 EDADLP C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000494246447 255243365 /nfs/dbraw/zinc/24/33/65/255243365.db2.gz BCMISTYSYPGMDO-QFBILLFUSA-N 2 2 331.460 1.488 20 0 EDADLP CC[N@H+](CC(=O)OC(C)(C)C)C1CC(N[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000494842415 255262831 /nfs/dbraw/zinc/26/28/31/255262831.db2.gz OPJJXMHNCMCNFF-LBDPXKHJSA-N 2 2 325.497 1.721 20 0 EDADLP CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(N[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC000494842415 255262832 /nfs/dbraw/zinc/26/28/32/255262832.db2.gz OPJJXMHNCMCNFF-LBDPXKHJSA-N 2 2 325.497 1.721 20 0 EDADLP CC[NH+](CC(=O)OC(C)(C)C)C1CC(N[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000494842415 255262833 /nfs/dbraw/zinc/26/28/33/255262833.db2.gz OPJJXMHNCMCNFF-LBDPXKHJSA-N 2 2 325.497 1.721 20 0 EDADLP CC[NH+](CC(=O)OC(C)(C)C)C1CC(N[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000494842415 255262834 /nfs/dbraw/zinc/26/28/34/255262834.db2.gz OPJJXMHNCMCNFF-LBDPXKHJSA-N 2 2 325.497 1.721 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494888320 255264422 /nfs/dbraw/zinc/26/44/22/255264422.db2.gz HLNZLSFTKBBJMN-ROUUACIJSA-N 2 2 329.444 1.343 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496158912 255358834 /nfs/dbraw/zinc/35/88/34/255358834.db2.gz GVOJOPYOATUDAL-GOSISDBHSA-N 3 2 347.463 1.388 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496158912 255358835 /nfs/dbraw/zinc/35/88/35/255358835.db2.gz GVOJOPYOATUDAL-GOSISDBHSA-N 3 2 347.463 1.388 20 0 EDADLP COc1ncc(C)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000174975080 533202536 /nfs/dbraw/zinc/20/25/36/533202536.db2.gz UXMQNSMHBZTJLA-UHFFFAOYSA-N 2 2 349.479 1.888 20 0 EDADLP COc1ncc(C)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000174975080 533202539 /nfs/dbraw/zinc/20/25/39/533202539.db2.gz UXMQNSMHBZTJLA-UHFFFAOYSA-N 2 2 349.479 1.888 20 0 EDADLP OC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000352402734 285287142 /nfs/dbraw/zinc/28/71/42/285287142.db2.gz PDEOPKSIXQBQLV-OALUTQOASA-N 2 2 333.476 1.328 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000263991799 139374408 /nfs/dbraw/zinc/37/44/08/139374408.db2.gz GSMLCPUDMLAAJY-HOTGVXAUSA-N 2 2 345.422 1.994 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117793770 221089489 /nfs/dbraw/zinc/08/94/89/221089489.db2.gz RHSBXJPCQFWATM-KRWDZBQOSA-N 2 2 328.416 1.401 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119461962 221326273 /nfs/dbraw/zinc/32/62/73/221326273.db2.gz PLYWRIGVOYQOKU-HRBLRVMOSA-N 2 2 336.524 1.390 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119461962 221326276 /nfs/dbraw/zinc/32/62/76/221326276.db2.gz PLYWRIGVOYQOKU-HRBLRVMOSA-N 2 2 336.524 1.390 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119461962 221326278 /nfs/dbraw/zinc/32/62/78/221326278.db2.gz PLYWRIGVOYQOKU-HRBLRVMOSA-N 2 2 336.524 1.390 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119461962 221326280 /nfs/dbraw/zinc/32/62/80/221326280.db2.gz PLYWRIGVOYQOKU-HRBLRVMOSA-N 2 2 336.524 1.390 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328656019 258018511 /nfs/dbraw/zinc/01/85/11/258018511.db2.gz YZIUCJXNPHIINZ-AWEZNQCLSA-N 2 2 344.419 1.694 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328656019 258018513 /nfs/dbraw/zinc/01/85/13/258018513.db2.gz YZIUCJXNPHIINZ-AWEZNQCLSA-N 2 2 344.419 1.694 20 0 EDADLP CO[C@@H](C)c1noc(CN2CCC[N@H+](CCn3cc[nH+]c3)CC2)n1 ZINC000179465709 533363219 /nfs/dbraw/zinc/36/32/19/533363219.db2.gz WVLVDWQCZMPODU-AWEZNQCLSA-N 2 2 334.424 1.181 20 0 EDADLP CO[C@@H](C)c1noc(CN2CCC[N@@H+](CCn3cc[nH+]c3)CC2)n1 ZINC000179465709 533363223 /nfs/dbraw/zinc/36/32/23/533363223.db2.gz WVLVDWQCZMPODU-AWEZNQCLSA-N 2 2 334.424 1.181 20 0 EDADLP CCOc1ccnc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000270651124 140140939 /nfs/dbraw/zinc/14/09/39/140140939.db2.gz OTETUXPBVJRPAZ-UHFFFAOYSA-N 2 2 330.436 1.593 20 0 EDADLP CS[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH+](C)C ZINC000270767414 140165022 /nfs/dbraw/zinc/16/50/22/140165022.db2.gz QCHMAZCIKWEKSO-CVEARBPZSA-N 2 2 330.457 1.990 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000270825600 140177138 /nfs/dbraw/zinc/17/71/38/140177138.db2.gz KHDPCHITNMPHRA-UHFFFAOYSA-N 2 2 348.472 1.588 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000270825600 140177140 /nfs/dbraw/zinc/17/71/40/140177140.db2.gz KHDPCHITNMPHRA-UHFFFAOYSA-N 2 2 348.472 1.588 20 0 EDADLP C[C@@](O)(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(F)(F)F ZINC000271148684 140246316 /nfs/dbraw/zinc/24/63/16/140246316.db2.gz JEONXWDTSPJPOP-CYBMUJFWSA-N 2 2 338.293 1.936 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000271188018 140253684 /nfs/dbraw/zinc/25/36/84/140253684.db2.gz ZXJZJJCHQAOCFW-DLBZAZTESA-N 2 2 346.475 1.255 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000271246319 140263235 /nfs/dbraw/zinc/26/32/35/140263235.db2.gz CJQWMHHGYDAWSC-SFTDATJTSA-N 2 2 342.531 1.973 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000271246319 140263236 /nfs/dbraw/zinc/26/32/36/140263236.db2.gz CJQWMHHGYDAWSC-SFTDATJTSA-N 2 2 342.531 1.973 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000572029519 306579854 /nfs/dbraw/zinc/57/98/54/306579854.db2.gz NMBFMMYWTXIBKM-HZPDHXFCSA-N 2 2 329.400 1.430 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C[C@H](C)O1 ZINC000331968866 141104565 /nfs/dbraw/zinc/10/45/65/141104565.db2.gz JJXASMAKTGBVEK-VBQJREDUSA-N 2 2 344.475 1.217 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)C[C@H](C)O1 ZINC000331968866 141104566 /nfs/dbraw/zinc/10/45/66/141104566.db2.gz JJXASMAKTGBVEK-VBQJREDUSA-N 2 2 344.475 1.217 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333583357 141340660 /nfs/dbraw/zinc/34/06/60/141340660.db2.gz ALALUHMPJQGBLB-HZPDHXFCSA-N 2 2 345.491 1.793 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCC[NH+]3CCC(C)CC3)nc[nH+]2)C1 ZINC000333690766 141358757 /nfs/dbraw/zinc/35/87/57/141358757.db2.gz AXYANCBIPOQRRE-HOTGVXAUSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000333871668 141398605 /nfs/dbraw/zinc/39/86/05/141398605.db2.gz PJQVCMUNAFESPF-HOTGVXAUSA-N 2 2 336.480 1.515 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1=O ZINC000333871668 141398608 /nfs/dbraw/zinc/39/86/08/141398608.db2.gz PJQVCMUNAFESPF-HOTGVXAUSA-N 2 2 336.480 1.515 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H]1C ZINC000339572279 142080667 /nfs/dbraw/zinc/08/06/67/142080667.db2.gz CYHYQSFMNFFDTC-HOTGVXAUSA-N 2 2 343.471 1.606 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)[C@H]1C ZINC000339572279 142080669 /nfs/dbraw/zinc/08/06/69/142080669.db2.gz CYHYQSFMNFFDTC-HOTGVXAUSA-N 2 2 343.471 1.606 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000340248000 142318526 /nfs/dbraw/zinc/31/85/26/142318526.db2.gz BDIMFDQZLAELLG-UHFFFAOYSA-N 3 2 339.528 1.186 20 0 EDADLP C[C@@H](CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)C[NH+]1CCOCC1 ZINC000345379027 143084054 /nfs/dbraw/zinc/08/40/54/143084054.db2.gz LTNQUMMCSCCWIF-ZFWWWQNUSA-N 2 2 335.452 1.139 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)c[nH+]2)C[C@H](C)O1 ZINC000345706123 143123631 /nfs/dbraw/zinc/12/36/31/143123631.db2.gz GPFNGLKSTZBUKS-LOWVWBTDSA-N 2 2 342.390 1.294 20 0 EDADLP CC[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[NH+](CC)CC ZINC000345712889 143124635 /nfs/dbraw/zinc/12/46/35/143124635.db2.gz HMNBPANVRFCSAJ-SFHVURJKSA-N 3 2 338.540 1.782 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000346100290 143167578 /nfs/dbraw/zinc/16/75/78/143167578.db2.gz HOSJPQPENYDAJF-BRSBDYLESA-N 2 2 337.508 1.961 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000346100290 143167579 /nfs/dbraw/zinc/16/75/79/143167579.db2.gz HOSJPQPENYDAJF-BRSBDYLESA-N 2 2 337.508 1.961 20 0 EDADLP CCNC(=O)N1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346117057 143169533 /nfs/dbraw/zinc/16/95/33/143169533.db2.gz APWIFXPGTXTPAC-UHFFFAOYSA-N 2 2 328.420 1.423 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000346119951 143169901 /nfs/dbraw/zinc/16/99/01/143169901.db2.gz UUXRQLVUUWWBQT-QGZVFWFLSA-N 2 2 326.444 1.866 20 0 EDADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H](C)C1 ZINC000346132780 143171057 /nfs/dbraw/zinc/17/10/57/143171057.db2.gz ARQIJHURZKXDSK-GVDBMIGSSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H](C)C1 ZINC000346132780 143171058 /nfs/dbraw/zinc/17/10/58/143171058.db2.gz ARQIJHURZKXDSK-GVDBMIGSSA-N 2 2 335.492 1.430 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C2)C1 ZINC000346335150 143193100 /nfs/dbraw/zinc/19/31/00/143193100.db2.gz XFIURMPAOFVKSN-HXUWFJFHSA-N 2 2 343.471 1.687 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C2)C1 ZINC000346335150 143193101 /nfs/dbraw/zinc/19/31/01/143193101.db2.gz XFIURMPAOFVKSN-HXUWFJFHSA-N 2 2 343.471 1.687 20 0 EDADLP C[C@H](C(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000346547218 143215666 /nfs/dbraw/zinc/21/56/66/143215666.db2.gz PBNPYNMMTSRKKX-QGZVFWFLSA-N 2 2 345.487 1.662 20 0 EDADLP C[C@H](C(=O)NCCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000346547218 143215667 /nfs/dbraw/zinc/21/56/67/143215667.db2.gz PBNPYNMMTSRKKX-QGZVFWFLSA-N 2 2 345.487 1.662 20 0 EDADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000346562545 143216963 /nfs/dbraw/zinc/21/69/63/143216963.db2.gz QBTCMXNUMSSYLK-OALUTQOASA-N 2 2 335.492 1.134 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000346732535 143239133 /nfs/dbraw/zinc/23/91/33/143239133.db2.gz SBPYFXMPIDTBTJ-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP CC[N@H+]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000346732535 143239134 /nfs/dbraw/zinc/23/91/34/143239134.db2.gz SBPYFXMPIDTBTJ-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP O=C1C[C@@H]([NH2+]CC[NH+]2CCCCC2)[C@H](c2cccnc2)N1C1CC1 ZINC000346929106 143262428 /nfs/dbraw/zinc/26/24/28/143262428.db2.gz NRJMVOGVXRIRSE-MJGOQNOKSA-N 2 2 328.460 1.962 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000347712820 143352905 /nfs/dbraw/zinc/35/29/05/143352905.db2.gz BXGGERSOINMGFV-DOTOQJQBSA-N 2 2 349.475 1.382 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000573092248 306611641 /nfs/dbraw/zinc/61/16/41/306611641.db2.gz IGINAPNQNKMGBG-AEFFLSMTSA-N 2 2 344.459 1.022 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000369753522 155162202 /nfs/dbraw/zinc/16/22/02/155162202.db2.gz QJZZLOHYHXHFCJ-MRXNPFEDSA-N 2 2 333.480 1.888 20 0 EDADLP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000369843981 155200834 /nfs/dbraw/zinc/20/08/34/155200834.db2.gz ZNUKJBBPHYQDSI-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416865348 304352986 /nfs/dbraw/zinc/35/29/86/304352986.db2.gz PSHYGUUYHYIGKU-KRWDZBQOSA-N 2 2 334.464 1.301 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416897759 304354170 /nfs/dbraw/zinc/35/41/70/304354170.db2.gz AKDVOOVVRNRASK-UGFHNGPFSA-N 2 2 331.395 1.780 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C2(CO)CC2)CC1 ZINC000353028374 149259615 /nfs/dbraw/zinc/25/96/15/149259615.db2.gz NIHIAGRGKYURTE-UHFFFAOYSA-N 2 2 331.460 1.096 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C2(CO)CC2)CC1 ZINC000353028374 149259617 /nfs/dbraw/zinc/25/96/17/149259617.db2.gz NIHIAGRGKYURTE-UHFFFAOYSA-N 2 2 331.460 1.096 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000353264654 149344236 /nfs/dbraw/zinc/34/42/36/149344236.db2.gz VRELPGHJIBSYER-AWEZNQCLSA-N 2 2 329.448 1.749 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000353264654 149344239 /nfs/dbraw/zinc/34/42/39/149344239.db2.gz VRELPGHJIBSYER-AWEZNQCLSA-N 2 2 329.448 1.749 20 0 EDADLP C[NH+]1CCC(CCNC(=O)C2(N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000369951958 155250636 /nfs/dbraw/zinc/25/06/36/155250636.db2.gz QIYLPTFBSZCGJQ-UHFFFAOYSA-N 2 2 336.524 1.395 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000416977789 304359874 /nfs/dbraw/zinc/35/98/74/304359874.db2.gz BRNZUOWZZOJZST-HOCLYGCPSA-N 2 2 331.464 1.999 20 0 EDADLP CC(C)Cn1cc(C[NH2+]C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354872002 150004366 /nfs/dbraw/zinc/00/43/66/150004366.db2.gz OZMVQGHLSKRONB-DLBZAZTESA-N 2 2 348.470 1.975 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000355029191 150083033 /nfs/dbraw/zinc/08/30/33/150083033.db2.gz UJWPBMGAGPHFMI-SQNIBIBYSA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000355029191 150083035 /nfs/dbraw/zinc/08/30/35/150083035.db2.gz UJWPBMGAGPHFMI-SQNIBIBYSA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000355029191 150083039 /nfs/dbraw/zinc/08/30/39/150083039.db2.gz UJWPBMGAGPHFMI-SQNIBIBYSA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000355029191 150083043 /nfs/dbraw/zinc/08/30/43/150083043.db2.gz UJWPBMGAGPHFMI-SQNIBIBYSA-N 2 2 331.460 1.438 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCCN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000355471342 150283122 /nfs/dbraw/zinc/28/31/22/150283122.db2.gz JSWBHEDAFFKKEE-MRXNPFEDSA-N 2 2 338.883 1.306 20 0 EDADLP COC(=O)c1coc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000355645507 150348778 /nfs/dbraw/zinc/34/87/78/150348778.db2.gz DUZQVANGDUOUKG-UHFFFAOYSA-N 2 2 331.372 1.792 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000357468756 151040881 /nfs/dbraw/zinc/04/08/81/151040881.db2.gz NXYJKFOFBRFARF-KGLIPLIRSA-N 2 2 327.469 1.249 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000357468756 151040888 /nfs/dbraw/zinc/04/08/88/151040888.db2.gz NXYJKFOFBRFARF-KGLIPLIRSA-N 2 2 327.469 1.249 20 0 EDADLP C[N@H+](CC(=O)N1CCCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357645144 151098998 /nfs/dbraw/zinc/09/89/98/151098998.db2.gz FQTWUDOXOMVASC-UHFFFAOYSA-N 2 2 331.460 1.354 20 0 EDADLP C[N@@H+](CC(=O)N1CCCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357645144 151099000 /nfs/dbraw/zinc/09/90/00/151099000.db2.gz FQTWUDOXOMVASC-UHFFFAOYSA-N 2 2 331.460 1.354 20 0 EDADLP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649353 151101020 /nfs/dbraw/zinc/10/10/20/151101020.db2.gz POIGNCKNXDQIHO-UHFFFAOYSA-N 2 2 339.867 1.975 20 0 EDADLP Cc1cc(Cl)ccc1NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649353 151101022 /nfs/dbraw/zinc/10/10/22/151101022.db2.gz POIGNCKNXDQIHO-UHFFFAOYSA-N 2 2 339.867 1.975 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000357886845 151184468 /nfs/dbraw/zinc/18/44/68/151184468.db2.gz WMOASGUZTOAEDK-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP Cn1c[nH+]cc1Cc1noc(-c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000357941232 151204066 /nfs/dbraw/zinc/20/40/66/151204066.db2.gz YBHRSGFVUCRCCB-UHFFFAOYSA-N 2 2 339.403 1.208 20 0 EDADLP c1cc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)CC2)ccn1 ZINC000358327214 151338137 /nfs/dbraw/zinc/33/81/37/151338137.db2.gz IRFLUCUULBENDK-OALUTQOASA-N 2 2 331.460 1.974 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358436708 151375278 /nfs/dbraw/zinc/37/52/78/151375278.db2.gz MUCOIFGSRHOURC-GVDBMIGSSA-N 2 2 340.512 1.611 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358436708 151375282 /nfs/dbraw/zinc/37/52/82/151375282.db2.gz MUCOIFGSRHOURC-GVDBMIGSSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c(C)o1 ZINC000370084978 155318232 /nfs/dbraw/zinc/31/82/32/155318232.db2.gz QLEHCPHUPNIJTK-QAPCUYQASA-N 2 2 349.475 1.870 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360536058 152085692 /nfs/dbraw/zinc/08/56/92/152085692.db2.gz SZBPNIHVKPWCMI-IBGZPJMESA-N 2 2 331.460 1.566 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360536058 152085694 /nfs/dbraw/zinc/08/56/94/152085694.db2.gz SZBPNIHVKPWCMI-IBGZPJMESA-N 2 2 331.460 1.566 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360564400 152098921 /nfs/dbraw/zinc/09/89/21/152098921.db2.gz QTJPRTQELUQRCM-APWZRJJASA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360564400 152098924 /nfs/dbraw/zinc/09/89/24/152098924.db2.gz QTJPRTQELUQRCM-APWZRJJASA-N 2 2 331.460 1.564 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000360974197 152268363 /nfs/dbraw/zinc/26/83/63/152268363.db2.gz HJRMLZOPOUETBK-UHFFFAOYSA-N 2 2 339.480 1.441 20 0 EDADLP O=C1CNC(=O)N1CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361046007 152288149 /nfs/dbraw/zinc/28/81/49/152288149.db2.gz NJGOWKRZRDBMIO-UHFFFAOYSA-N 2 2 333.436 1.317 20 0 EDADLP CCC[C@H]([NH3+])C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370161000 155356612 /nfs/dbraw/zinc/35/66/12/155356612.db2.gz KJDZUTQOZDEWEW-GJZGRUSLSA-N 3 2 333.480 1.501 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000363826198 153068441 /nfs/dbraw/zinc/06/84/41/153068441.db2.gz QQTTZEJCUANQNB-DOTOQJQBSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000363826198 153068443 /nfs/dbraw/zinc/06/84/43/153068443.db2.gz QQTTZEJCUANQNB-DOTOQJQBSA-N 2 2 345.491 1.953 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCN4C(=O)OC[C@@H]4C3)c2cc1C ZINC000363867601 153079987 /nfs/dbraw/zinc/07/99/87/153079987.db2.gz WEYOLWMAMXROQJ-LSDHHAIUSA-N 2 2 344.415 1.150 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCN4C(=O)OC[C@@H]4C3)c2cc1C ZINC000363867601 153079988 /nfs/dbraw/zinc/07/99/88/153079988.db2.gz WEYOLWMAMXROQJ-LSDHHAIUSA-N 2 2 344.415 1.150 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000364161564 153160527 /nfs/dbraw/zinc/16/05/27/153160527.db2.gz OZLPPZPDHSSDOF-OWCLPIDISA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000364161564 153160529 /nfs/dbraw/zinc/16/05/29/153160529.db2.gz OZLPPZPDHSSDOF-OWCLPIDISA-N 2 2 333.480 1.865 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000364216050 153177008 /nfs/dbraw/zinc/17/70/08/153177008.db2.gz AFJPSVXRFAXDSH-ICSRJNTNSA-N 2 2 343.471 1.729 20 0 EDADLP COc1cncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000364591637 153281475 /nfs/dbraw/zinc/28/14/75/153281475.db2.gz UCCJSRHTEQKRAB-UHFFFAOYSA-N 2 2 347.463 1.165 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000364734455 153319098 /nfs/dbraw/zinc/31/90/98/153319098.db2.gz KRCYBVFXGXVIHM-JOQOYGCGSA-N 2 2 332.448 1.532 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2COCC[NH2+]2)cc1F ZINC000364864231 153354814 /nfs/dbraw/zinc/35/48/14/153354814.db2.gz DVBYREWPIFQFCQ-ABAIWWIYSA-N 2 2 332.379 1.485 20 0 EDADLP COCc1noc([C@@H](C)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000364914121 153367893 /nfs/dbraw/zinc/36/78/93/153367893.db2.gz CADXZBKIIIQLIC-ZIAGYGMSSA-N 2 2 337.468 1.377 20 0 EDADLP COCc1noc([C@@H](C)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000364914121 153367894 /nfs/dbraw/zinc/36/78/94/153367894.db2.gz CADXZBKIIIQLIC-ZIAGYGMSSA-N 2 2 337.468 1.377 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3n[nH]c(=O)s3)CC2)C[C@H](C)O1 ZINC000364962449 153385159 /nfs/dbraw/zinc/38/51/59/153385159.db2.gz YBDVCGNTNUQIGJ-TXEJJXNPSA-N 2 2 326.466 1.565 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3n[nH]c(=O)s3)CC2)C[C@H](C)O1 ZINC000364962449 153385160 /nfs/dbraw/zinc/38/51/60/153385160.db2.gz YBDVCGNTNUQIGJ-TXEJJXNPSA-N 2 2 326.466 1.565 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](CC3N=NC(=O)S3)CC2)C[C@H](C)O1 ZINC000364962449 153385162 /nfs/dbraw/zinc/38/51/62/153385162.db2.gz YBDVCGNTNUQIGJ-TXEJJXNPSA-N 2 2 326.466 1.565 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](CC3N=NC(=O)S3)CC2)C[C@H](C)O1 ZINC000364962449 153385165 /nfs/dbraw/zinc/38/51/65/153385165.db2.gz YBDVCGNTNUQIGJ-TXEJJXNPSA-N 2 2 326.466 1.565 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H]1SC ZINC000459410510 286385546 /nfs/dbraw/zinc/38/55/46/286385546.db2.gz ZHLKQVOKIUSAKE-JONQDZQNSA-N 2 2 343.537 1.428 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H]1SC ZINC000459410510 286385548 /nfs/dbraw/zinc/38/55/48/286385548.db2.gz ZHLKQVOKIUSAKE-JONQDZQNSA-N 2 2 343.537 1.428 20 0 EDADLP C[C@H]1CN(C(=O)OC[C@H]2CCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367775915 154265653 /nfs/dbraw/zinc/26/56/53/154265653.db2.gz KYGBRFDWKAEZOT-GOEBONIOSA-N 2 2 325.453 1.402 20 0 EDADLP C[C@H]1CN(C(=O)OC[C@H]2CCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367775915 154265654 /nfs/dbraw/zinc/26/56/54/154265654.db2.gz KYGBRFDWKAEZOT-GOEBONIOSA-N 2 2 325.453 1.402 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000368006767 154364328 /nfs/dbraw/zinc/36/43/28/154364328.db2.gz CABOZNDAWFQGLY-ROUUACIJSA-N 2 2 331.460 1.349 20 0 EDADLP CC1(C)C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C(C)(C)O1 ZINC000368033441 154378444 /nfs/dbraw/zinc/37/84/44/154378444.db2.gz GKIOXMBQLCKADJ-KRWDZBQOSA-N 2 2 339.524 1.719 20 0 EDADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C(C)(C)O1 ZINC000368033441 154378446 /nfs/dbraw/zinc/37/84/46/154378446.db2.gz GKIOXMBQLCKADJ-KRWDZBQOSA-N 2 2 339.524 1.719 20 0 EDADLP Cc1[nH+]c(CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c2n1CCCC2 ZINC000368039629 154380781 /nfs/dbraw/zinc/38/07/81/154380781.db2.gz GWOVIMHQGJRKPD-OAHLLOKOSA-N 2 2 347.463 1.190 20 0 EDADLP Cc1[nH+]c(CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c2n1CCCC2 ZINC000368039629 154380784 /nfs/dbraw/zinc/38/07/84/154380784.db2.gz GWOVIMHQGJRKPD-OAHLLOKOSA-N 2 2 347.463 1.190 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368045178 154383699 /nfs/dbraw/zinc/38/36/99/154383699.db2.gz NRKQRPHDCDNTMU-SJORKVTESA-N 2 2 347.463 1.229 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368045178 154383702 /nfs/dbraw/zinc/38/37/02/154383702.db2.gz NRKQRPHDCDNTMU-SJORKVTESA-N 2 2 347.463 1.229 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000371562320 156004405 /nfs/dbraw/zinc/00/44/05/156004405.db2.gz LGSMWVIKMRERKV-OAHLLOKOSA-N 2 2 333.480 1.299 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3ccc(O)cc3)C2)CC1 ZINC000371670971 156054290 /nfs/dbraw/zinc/05/42/90/156054290.db2.gz GLNSBAHVGCJKTO-MRXNPFEDSA-N 2 2 346.475 1.402 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3ccc(O)cc3)C2)CC1 ZINC000371670971 156054292 /nfs/dbraw/zinc/05/42/92/156054292.db2.gz GLNSBAHVGCJKTO-MRXNPFEDSA-N 2 2 346.475 1.402 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000371884585 156150196 /nfs/dbraw/zinc/15/01/96/156150196.db2.gz SKWQXMVYWLZKFV-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000371884585 156150200 /nfs/dbraw/zinc/15/02/00/156150200.db2.gz SKWQXMVYWLZKFV-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000371884585 156150202 /nfs/dbraw/zinc/15/02/02/156150202.db2.gz SKWQXMVYWLZKFV-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000371884585 156150204 /nfs/dbraw/zinc/15/02/04/156150204.db2.gz SKWQXMVYWLZKFV-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000371895813 156157301 /nfs/dbraw/zinc/15/73/01/156157301.db2.gz IOOVMBLDDJIYOI-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000371895813 156157303 /nfs/dbraw/zinc/15/73/03/156157303.db2.gz IOOVMBLDDJIYOI-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000371895813 156157304 /nfs/dbraw/zinc/15/73/04/156157304.db2.gz IOOVMBLDDJIYOI-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP CC[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000371895813 156157307 /nfs/dbraw/zinc/15/73/07/156157307.db2.gz IOOVMBLDDJIYOI-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](C)[C@]1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCSC1 ZINC000372254094 156289482 /nfs/dbraw/zinc/28/94/82/156289482.db2.gz DGEOIWXSBPPXGH-GOSISDBHSA-N 2 2 348.516 1.553 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000372309226 156324402 /nfs/dbraw/zinc/32/44/02/156324402.db2.gz VFQYRGPFDRJRBO-HNNXBMFYSA-N 2 2 335.452 1.031 20 0 EDADLP CCc1onc(C)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372318995 156331832 /nfs/dbraw/zinc/33/18/32/156331832.db2.gz CQNSDHRXLHRNBP-HNNXBMFYSA-N 2 2 334.464 1.786 20 0 EDADLP CCc1onc(C)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372318995 156331833 /nfs/dbraw/zinc/33/18/33/156331833.db2.gz CQNSDHRXLHRNBP-HNNXBMFYSA-N 2 2 334.464 1.786 20 0 EDADLP CN(Cc1cccc(C(N)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372364178 156354150 /nfs/dbraw/zinc/35/41/50/156354150.db2.gz DPTUCAQYWZXYLV-SFHVURJKSA-N 2 2 330.476 1.386 20 0 EDADLP CN(Cc1cccc(C(N)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372364178 156354158 /nfs/dbraw/zinc/35/41/58/156354158.db2.gz DPTUCAQYWZXYLV-SFHVURJKSA-N 2 2 330.476 1.386 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000374000780 157101978 /nfs/dbraw/zinc/10/19/78/157101978.db2.gz DGFCQZKBQBFPPP-UHFFFAOYSA-N 2 2 343.479 1.360 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ncnn1CCF ZINC000374134501 157157471 /nfs/dbraw/zinc/15/74/71/157157471.db2.gz BNGVYOTXJGVFNO-ILXRZTDVSA-N 2 2 325.432 1.227 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ncnn1CCF ZINC000374134501 157157475 /nfs/dbraw/zinc/15/74/75/157157475.db2.gz BNGVYOTXJGVFNO-ILXRZTDVSA-N 2 2 325.432 1.227 20 0 EDADLP C[C@H]1CN(C(=O)NC2CCC(O)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374256731 157216653 /nfs/dbraw/zinc/21/66/53/157216653.db2.gz AOBDSERYYHLGED-UQPPLGOBSA-N 2 2 338.496 1.100 20 0 EDADLP C[C@H]1CN(C(=O)NC2CCC(O)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374256731 157216656 /nfs/dbraw/zinc/21/66/56/157216656.db2.gz AOBDSERYYHLGED-UQPPLGOBSA-N 2 2 338.496 1.100 20 0 EDADLP COc1ccc([C@@H]2C[C@H](C)C[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000374482153 157305061 /nfs/dbraw/zinc/30/50/61/157305061.db2.gz RDDSMBKAVANZHW-YJBOKZPZSA-N 2 2 331.460 1.852 20 0 EDADLP COc1ccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000374482153 157305063 /nfs/dbraw/zinc/30/50/63/157305063.db2.gz RDDSMBKAVANZHW-YJBOKZPZSA-N 2 2 331.460 1.852 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377924815 158029591 /nfs/dbraw/zinc/02/95/91/158029591.db2.gz SYHNNONEUAXPDG-QGZVFWFLSA-N 2 2 329.460 1.380 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377924815 158029592 /nfs/dbraw/zinc/02/95/92/158029592.db2.gz SYHNNONEUAXPDG-QGZVFWFLSA-N 2 2 329.460 1.380 20 0 EDADLP CN(C(=O)c1ccc2[nH]cnc2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378145559 158091950 /nfs/dbraw/zinc/09/19/50/158091950.db2.gz STDKZDOJAYJSRG-MRXNPFEDSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1ccc2[nH]cnc2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378145559 158091952 /nfs/dbraw/zinc/09/19/52/158091952.db2.gz STDKZDOJAYJSRG-MRXNPFEDSA-N 2 2 341.459 1.803 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000378180108 158102386 /nfs/dbraw/zinc/10/23/86/158102386.db2.gz QFSICVJBURNQRO-NVXWUHKLSA-N 2 2 332.448 1.976 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000378180108 158102387 /nfs/dbraw/zinc/10/23/87/158102387.db2.gz QFSICVJBURNQRO-NVXWUHKLSA-N 2 2 332.448 1.976 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000378203416 158107570 /nfs/dbraw/zinc/10/75/70/158107570.db2.gz QURZIYYAGPLXNO-DLBZAZTESA-N 2 2 338.540 1.816 20 0 EDADLP Cc1[nH+]c(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c2n1CCCC2 ZINC000378401690 158164212 /nfs/dbraw/zinc/16/42/12/158164212.db2.gz VHGLCSKIICVLKB-UHFFFAOYSA-N 2 2 349.479 1.438 20 0 EDADLP Cc1[nH+]c(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)c2n1CCCC2 ZINC000378401690 158164214 /nfs/dbraw/zinc/16/42/14/158164214.db2.gz VHGLCSKIICVLKB-UHFFFAOYSA-N 2 2 349.479 1.438 20 0 EDADLP Cn1ccc(N2CC[C@@H]([NH2+][C@H]3CC[N@H+](CCc4ccccc4)C3)C2)n1 ZINC000378470126 158184152 /nfs/dbraw/zinc/18/41/52/158184152.db2.gz DVRXSEWKKPANJU-RBUKOAKNSA-N 2 2 339.487 1.905 20 0 EDADLP Cn1ccc(N2CC[C@@H]([NH2+][C@H]3CC[N@@H+](CCc4ccccc4)C3)C2)n1 ZINC000378470126 158184157 /nfs/dbraw/zinc/18/41/57/158184157.db2.gz DVRXSEWKKPANJU-RBUKOAKNSA-N 2 2 339.487 1.905 20 0 EDADLP COC(=O)[C@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000378573213 158212198 /nfs/dbraw/zinc/21/21/98/158212198.db2.gz UEPBITCCNDNAMN-MRXNPFEDSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)[C@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000378573213 158212199 /nfs/dbraw/zinc/21/21/99/158212199.db2.gz UEPBITCCNDNAMN-MRXNPFEDSA-N 2 2 339.480 1.393 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423401442 304894554 /nfs/dbraw/zinc/89/45/54/304894554.db2.gz QWKSSSBWPBJEFF-WOSRLPQWSA-N 2 2 325.478 1.728 20 0 EDADLP Fc1cccc(-c2cnc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000352495534 162213077 /nfs/dbraw/zinc/21/30/77/162213077.db2.gz MONQOGRXMATCKT-INIZCTEOSA-N 2 2 330.407 1.960 20 0 EDADLP Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364231780 162322368 /nfs/dbraw/zinc/32/23/68/162322368.db2.gz QUIGDRCOFWYVTQ-MRXNPFEDSA-N 2 2 348.495 1.118 20 0 EDADLP Cc1n[nH]cc1CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364231780 162322369 /nfs/dbraw/zinc/32/23/69/162322369.db2.gz QUIGDRCOFWYVTQ-MRXNPFEDSA-N 2 2 348.495 1.118 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)C[C@@H](C)[NH+]1CCO ZINC000364624118 296887393 /nfs/dbraw/zinc/88/73/93/296887393.db2.gz PEEOZMJQVNDDNM-JXXFODFXSA-N 2 2 345.487 1.303 20 0 EDADLP CSc1ccc(OCC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000075625168 287277970 /nfs/dbraw/zinc/27/79/70/287277970.db2.gz FGJMJUJRUSMNLK-UHFFFAOYSA-N 2 2 337.489 1.493 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000112916750 287342013 /nfs/dbraw/zinc/34/20/13/287342013.db2.gz WCEYNQGDJGFZTC-INIZCTEOSA-N 2 2 341.459 1.628 20 0 EDADLP COC(C)(C)C[C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000122038210 222000464 /nfs/dbraw/zinc/00/04/64/222000464.db2.gz QNLQTLPUFHDKOJ-INIZCTEOSA-N 2 2 327.513 1.576 20 0 EDADLP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000122038210 222000466 /nfs/dbraw/zinc/00/04/66/222000466.db2.gz QNLQTLPUFHDKOJ-INIZCTEOSA-N 2 2 327.513 1.576 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000273113839 273029518 /nfs/dbraw/zinc/02/95/18/273029518.db2.gz RMQLNTQKDVXGEO-AWEZNQCLSA-N 2 2 343.431 1.160 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000275635641 268366577 /nfs/dbraw/zinc/36/65/77/268366577.db2.gz NRSSERNWCIRHGL-UHFFFAOYSA-N 2 2 329.452 1.119 20 0 EDADLP COCCn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000275835073 268376130 /nfs/dbraw/zinc/37/61/30/268376130.db2.gz VPANLPJMYLBSAC-SFHVURJKSA-N 2 2 343.475 1.878 20 0 EDADLP COCCn1cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000275835073 268376132 /nfs/dbraw/zinc/37/61/32/268376132.db2.gz VPANLPJMYLBSAC-SFHVURJKSA-N 2 2 343.475 1.878 20 0 EDADLP COCCn1cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cn1 ZINC000275835073 268376134 /nfs/dbraw/zinc/37/61/34/268376134.db2.gz VPANLPJMYLBSAC-SFHVURJKSA-N 2 2 343.475 1.878 20 0 EDADLP COCCn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000275835073 268376136 /nfs/dbraw/zinc/37/61/36/268376136.db2.gz VPANLPJMYLBSAC-SFHVURJKSA-N 2 2 343.475 1.878 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000273549546 273043554 /nfs/dbraw/zinc/04/35/54/273043554.db2.gz CNFLBNVZXIQALP-CQSZACIVSA-N 2 2 343.353 1.421 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)c3cn[nH]c3)CC2)c1 ZINC000274039622 273066647 /nfs/dbraw/zinc/06/66/47/273066647.db2.gz NEIJMOKCXWEUIK-MRXNPFEDSA-N 2 2 341.459 1.713 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)[NH+](C)C ZINC000275618957 273114069 /nfs/dbraw/zinc/11/40/69/273114069.db2.gz MEKYEOBMVPNKTF-GDBMZVCRSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000280159489 273346299 /nfs/dbraw/zinc/34/62/99/273346299.db2.gz DZPWICWCXZBPIV-UHFFFAOYSA-N 2 2 329.404 1.567 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000283808163 273970501 /nfs/dbraw/zinc/97/05/01/273970501.db2.gz CNKPTESNBPDJMC-QGZVFWFLSA-N 2 2 336.867 1.987 20 0 EDADLP CC(C)(C)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000283911972 274007907 /nfs/dbraw/zinc/00/79/07/274007907.db2.gz BWEYZAWNVKUTFC-IAGOWNOFSA-N 2 2 333.476 1.767 20 0 EDADLP CC(C)(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000283911972 274007908 /nfs/dbraw/zinc/00/79/08/274007908.db2.gz BWEYZAWNVKUTFC-IAGOWNOFSA-N 2 2 333.476 1.767 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)ccc2[nH+]1 ZINC000284528076 274234459 /nfs/dbraw/zinc/23/44/59/274234459.db2.gz GJCZLDCKMHSZEL-LSDHHAIUSA-N 2 2 329.404 1.580 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)ccc2[nH+]1 ZINC000284528076 274234462 /nfs/dbraw/zinc/23/44/62/274234462.db2.gz GJCZLDCKMHSZEL-LSDHHAIUSA-N 2 2 329.404 1.580 20 0 EDADLP CNC(=O)[C@]1(C)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284752150 274318315 /nfs/dbraw/zinc/31/83/15/274318315.db2.gz LMKLZGHALNXBGN-UYAOXDASSA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)[C@]1(C)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284752150 274318316 /nfs/dbraw/zinc/31/83/16/274318316.db2.gz LMKLZGHALNXBGN-UYAOXDASSA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)[C@]1(C)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284752150 274318319 /nfs/dbraw/zinc/31/83/19/274318319.db2.gz LMKLZGHALNXBGN-UYAOXDASSA-N 2 2 345.487 1.736 20 0 EDADLP CNC(=O)[C@]1(C)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284752150 274318321 /nfs/dbraw/zinc/31/83/21/274318321.db2.gz LMKLZGHALNXBGN-UYAOXDASSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@@H](C)[NH+]1CCO ZINC000366117782 274326508 /nfs/dbraw/zinc/32/65/08/274326508.db2.gz IHWUOMGCOPXBLG-IIDMSEBBSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H](C)[NH+]1CCO ZINC000366117782 274326509 /nfs/dbraw/zinc/32/65/09/274326509.db2.gz IHWUOMGCOPXBLG-IIDMSEBBSA-N 2 2 346.475 1.270 20 0 EDADLP Brc1cccc2c1C[N@@H+](CCN1CC[NH2+]CC1)CCO2 ZINC000655949192 452723504 /nfs/dbraw/zinc/72/35/04/452723504.db2.gz PEPGVXGTUJVZCI-UHFFFAOYSA-N 2 2 340.265 1.549 20 0 EDADLP Brc1cccc2c1C[N@H+](CCN1CC[NH2+]CC1)CCO2 ZINC000655949192 452723494 /nfs/dbraw/zinc/72/34/94/452723494.db2.gz PEPGVXGTUJVZCI-UHFFFAOYSA-N 2 2 340.265 1.549 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000420163916 275815599 /nfs/dbraw/zinc/81/55/99/275815599.db2.gz LKJDSXIQWSYQSP-ZIAGYGMSSA-N 2 2 347.463 1.010 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105215259 276003890 /nfs/dbraw/zinc/00/38/90/276003890.db2.gz WVWSYTHDVPREOY-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CC[N@H+](CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000152485078 276085055 /nfs/dbraw/zinc/08/50/55/276085055.db2.gz FMECZUZJBFQSNM-GOSISDBHSA-N 2 2 345.487 1.530 20 0 EDADLP CC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000152485078 276085056 /nfs/dbraw/zinc/08/50/56/276085056.db2.gz FMECZUZJBFQSNM-GOSISDBHSA-N 2 2 345.487 1.530 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN[C@@H]2CC[NH+](CCOC)C2)[C@@H]1c1ccccc1 ZINC000343395106 276212091 /nfs/dbraw/zinc/21/20/91/276212091.db2.gz SRZUPQDDUSMVJC-AQNXPRMDSA-N 2 2 347.503 1.759 20 0 EDADLP CC[N@H+]1CCO[C@H](CN[C@@H]2CC[NH+](CCOC)C2)[C@@H]1c1ccccc1 ZINC000343395106 276212092 /nfs/dbraw/zinc/21/20/92/276212092.db2.gz SRZUPQDDUSMVJC-AQNXPRMDSA-N 2 2 347.503 1.759 20 0 EDADLP CC[NH+]1CCO[C@H](CN[C@@H]2CC[N@H+](CCOC)C2)[C@@H]1c1ccccc1 ZINC000343395106 276212093 /nfs/dbraw/zinc/21/20/93/276212093.db2.gz SRZUPQDDUSMVJC-AQNXPRMDSA-N 2 2 347.503 1.759 20 0 EDADLP CC[NH+]1CCO[C@H](CN[C@@H]2CC[N@@H+](CCOC)C2)[C@@H]1c1ccccc1 ZINC000343395106 276212094 /nfs/dbraw/zinc/21/20/94/276212094.db2.gz SRZUPQDDUSMVJC-AQNXPRMDSA-N 2 2 347.503 1.759 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000245884761 276365312 /nfs/dbraw/zinc/36/53/12/276365312.db2.gz CNCHISNMDRMUKC-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000245884761 276365315 /nfs/dbraw/zinc/36/53/15/276365315.db2.gz CNCHISNMDRMUKC-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000286059381 287925991 /nfs/dbraw/zinc/92/59/91/287925991.db2.gz RANIEXNAHMHQJV-UHFFFAOYSA-N 2 2 349.479 1.026 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCc4n[nH]cc43)C2)CC1 ZINC000366036169 277028687 /nfs/dbraw/zinc/02/86/87/277028687.db2.gz YMCDOFNXRVOIDF-DZGCQCFKSA-N 2 2 331.464 1.114 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCc4n[nH]cc43)C2)CC1 ZINC000366036169 277028688 /nfs/dbraw/zinc/02/86/88/277028688.db2.gz YMCDOFNXRVOIDF-DZGCQCFKSA-N 2 2 331.464 1.114 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000493558060 277088053 /nfs/dbraw/zinc/08/80/53/277088053.db2.gz QJJZLWFPOOVKHT-HJHHMULASA-N 2 2 338.249 1.564 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000493558060 277088055 /nfs/dbraw/zinc/08/80/55/277088055.db2.gz QJJZLWFPOOVKHT-HJHHMULASA-N 2 2 338.249 1.564 20 0 EDADLP C[NH2+]CCCNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415781989 277268279 /nfs/dbraw/zinc/26/82/79/277268279.db2.gz ADSYIXOYACYPFO-UHFFFAOYSA-N 2 2 330.230 1.641 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CC[NH2+]CC1(F)F)C2 ZINC000342763673 277270748 /nfs/dbraw/zinc/27/07/48/277270748.db2.gz DAUFGKGGJDPSRO-RYUDHWBXSA-N 2 2 340.418 1.856 20 0 EDADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000414924215 277287277 /nfs/dbraw/zinc/28/72/77/277287277.db2.gz ILEQUWIAXWZNFF-CQSZACIVSA-N 2 2 341.415 1.474 20 0 EDADLP C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000362528770 278135197 /nfs/dbraw/zinc/13/51/97/278135197.db2.gz BMBQYAWULKCVES-IEBWSBKVSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000362528770 278135199 /nfs/dbraw/zinc/13/51/99/278135199.db2.gz BMBQYAWULKCVES-IEBWSBKVSA-N 2 2 345.487 1.688 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCC1 ZINC000286532234 288028684 /nfs/dbraw/zinc/02/86/84/288028684.db2.gz YOWRXTUXDCZVRB-HNNXBMFYSA-N 2 2 347.463 1.454 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCC1 ZINC000286532234 288028687 /nfs/dbraw/zinc/02/86/87/288028687.db2.gz YOWRXTUXDCZVRB-HNNXBMFYSA-N 2 2 347.463 1.454 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000193121899 278868503 /nfs/dbraw/zinc/86/85/03/278868503.db2.gz KOHNNZMXGPVRBA-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C(=O)N1CC([N@H+](C)Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000342759184 279187529 /nfs/dbraw/zinc/18/75/29/279187529.db2.gz PFRZIMZRVVHHPT-OAHLLOKOSA-N 2 2 333.501 1.767 20 0 EDADLP C[C@H](C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000342759184 279187531 /nfs/dbraw/zinc/18/75/31/279187531.db2.gz PFRZIMZRVVHHPT-OAHLLOKOSA-N 2 2 333.501 1.767 20 0 EDADLP C[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000348588564 279200482 /nfs/dbraw/zinc/20/04/82/279200482.db2.gz PBJWZCLLHBVEJK-MNEFBYGVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000348588564 279200487 /nfs/dbraw/zinc/20/04/87/279200487.db2.gz PBJWZCLLHBVEJK-MNEFBYGVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCc2ccccc2C1 ZINC000348588564 279200489 /nfs/dbraw/zinc/20/04/89/279200489.db2.gz PBJWZCLLHBVEJK-MNEFBYGVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCc2ccccc2C1 ZINC000348588564 279200492 /nfs/dbraw/zinc/20/04/92/279200492.db2.gz PBJWZCLLHBVEJK-MNEFBYGVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000287080771 288151941 /nfs/dbraw/zinc/15/19/41/288151941.db2.gz KOWZZDYILMSWRL-WBVHZDCISA-N 2 2 327.432 1.845 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000287080771 288151942 /nfs/dbraw/zinc/15/19/42/288151942.db2.gz KOWZZDYILMSWRL-WBVHZDCISA-N 2 2 327.432 1.845 20 0 EDADLP CN(C)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c[nH+]1 ZINC000287119620 288160179 /nfs/dbraw/zinc/16/01/79/288160179.db2.gz LUZZHJOKWKBHCD-XYPWUTKMSA-N 2 2 331.464 1.914 20 0 EDADLP CN(C)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c[nH+]1 ZINC000287119620 288160182 /nfs/dbraw/zinc/16/01/82/288160182.db2.gz LUZZHJOKWKBHCD-XYPWUTKMSA-N 2 2 331.464 1.914 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000442833032 279777027 /nfs/dbraw/zinc/77/70/27/279777027.db2.gz ZQYOSQZMNUMKHD-YJBOKZPZSA-N 2 2 341.496 1.495 20 0 EDADLP C[C@H]1CN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C[C@@H]1[NH3+] ZINC000415791473 279801554 /nfs/dbraw/zinc/80/15/54/279801554.db2.gz QNELGUABUDBHPJ-WPRPVWTQSA-N 2 2 342.241 1.721 20 0 EDADLP CC(C)[C@@H](O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176108764 279923061 /nfs/dbraw/zinc/92/30/61/279923061.db2.gz JAFLYULBUGGNNT-INIZCTEOSA-N 2 2 340.512 1.253 20 0 EDADLP C[C@@H](NC(=O)C(C)(C)[NH+]1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287633666 288280398 /nfs/dbraw/zinc/28/03/98/288280398.db2.gz ABPDBZYGORAQKW-WBVHZDCISA-N 2 2 333.476 1.905 20 0 EDADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000290107265 288840840 /nfs/dbraw/zinc/84/08/40/288840840.db2.gz YDRZFVWAXIYPNJ-DOTOQJQBSA-N 2 2 349.450 1.867 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000290107267 288840878 /nfs/dbraw/zinc/84/08/78/288840878.db2.gz YDRZFVWAXIYPNJ-NVXWUHKLSA-N 2 2 349.450 1.867 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000290148754 288848250 /nfs/dbraw/zinc/84/82/50/288848250.db2.gz LEDPOZCPLVIBFA-OALUTQOASA-N 2 2 345.487 1.769 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732976 289164496 /nfs/dbraw/zinc/16/44/96/289164496.db2.gz JRDGQKPGZIQKRY-PMACEKPBSA-N 2 2 332.488 1.759 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732976 289164499 /nfs/dbraw/zinc/16/44/99/289164499.db2.gz JRDGQKPGZIQKRY-PMACEKPBSA-N 2 2 332.488 1.759 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732976 289164500 /nfs/dbraw/zinc/16/45/00/289164500.db2.gz JRDGQKPGZIQKRY-PMACEKPBSA-N 2 2 332.488 1.759 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732976 289164503 /nfs/dbraw/zinc/16/45/03/289164503.db2.gz JRDGQKPGZIQKRY-PMACEKPBSA-N 2 2 332.488 1.759 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000291744607 289168199 /nfs/dbraw/zinc/16/81/99/289168199.db2.gz BMGGTVZFSXCRGQ-MRXNPFEDSA-N 2 2 333.480 1.049 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000291744607 289168203 /nfs/dbraw/zinc/16/82/03/289168203.db2.gz BMGGTVZFSXCRGQ-MRXNPFEDSA-N 2 2 333.480 1.049 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292133296 289269285 /nfs/dbraw/zinc/26/92/85/289269285.db2.gz LLUUDPWWVTZVSX-IBGZPJMESA-N 2 2 331.460 1.477 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292133296 289269287 /nfs/dbraw/zinc/26/92/87/289269287.db2.gz LLUUDPWWVTZVSX-IBGZPJMESA-N 2 2 331.460 1.477 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292133296 289269289 /nfs/dbraw/zinc/26/92/89/289269289.db2.gz LLUUDPWWVTZVSX-IBGZPJMESA-N 2 2 331.460 1.477 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292133296 289269290 /nfs/dbraw/zinc/26/92/90/289269290.db2.gz LLUUDPWWVTZVSX-IBGZPJMESA-N 2 2 331.460 1.477 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)C1CCOCC1 ZINC000354947732 289286014 /nfs/dbraw/zinc/28/60/14/289286014.db2.gz OAJRDWIEXCMACQ-CVEARBPZSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)C1CCOCC1 ZINC000354947732 289286016 /nfs/dbraw/zinc/28/60/16/289286016.db2.gz OAJRDWIEXCMACQ-CVEARBPZSA-N 2 2 337.508 1.676 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219802 /nfs/dbraw/zinc/21/98/02/290219802.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 3 2 343.515 1.868 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219804 /nfs/dbraw/zinc/21/98/04/290219804.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219805 /nfs/dbraw/zinc/21/98/05/290219805.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219806 /nfs/dbraw/zinc/21/98/06/290219806.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 3 2 343.515 1.868 20 0 EDADLP CCc1ncc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000414429334 447306289 /nfs/dbraw/zinc/30/62/89/447306289.db2.gz DGLHUEZMQLBZFR-GJZGRUSLSA-N 2 2 332.427 1.475 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418648721 304525038 /nfs/dbraw/zinc/52/50/38/304525038.db2.gz ZVLISJGIDLOWMA-KRWDZBQOSA-N 2 2 327.432 1.802 20 0 EDADLP CC[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)O1 ZINC000422012004 447307626 /nfs/dbraw/zinc/30/76/26/447307626.db2.gz DHZPVXJPUMLIMD-QZTJIDSGSA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)O1 ZINC000422012004 447307631 /nfs/dbraw/zinc/30/76/31/447307631.db2.gz DHZPVXJPUMLIMD-QZTJIDSGSA-N 2 2 337.508 1.963 20 0 EDADLP CC(=O)N1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC12CCCCC2 ZINC000660152391 453085118 /nfs/dbraw/zinc/08/51/18/453085118.db2.gz AQFREPGNMOQTRE-QGZVFWFLSA-N 2 2 325.497 1.555 20 0 EDADLP CC(=O)N1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC12CCCCC2 ZINC000660152391 453085128 /nfs/dbraw/zinc/08/51/28/453085128.db2.gz AQFREPGNMOQTRE-QGZVFWFLSA-N 2 2 325.497 1.555 20 0 EDADLP CC(=O)N1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC12CCCCC2 ZINC000660152391 453085137 /nfs/dbraw/zinc/08/51/37/453085137.db2.gz AQFREPGNMOQTRE-QGZVFWFLSA-N 2 2 325.497 1.555 20 0 EDADLP CC(=O)N1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC12CCCCC2 ZINC000660152391 453085143 /nfs/dbraw/zinc/08/51/43/453085143.db2.gz AQFREPGNMOQTRE-QGZVFWFLSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000132025458 298024075 /nfs/dbraw/zinc/02/40/75/298024075.db2.gz VSWKEPDCEHQEMB-CVEARBPZSA-N 2 2 341.521 1.137 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000333115466 300245449 /nfs/dbraw/zinc/24/54/49/300245449.db2.gz YOBSPFWMDKIVJD-LSDHHAIUSA-N 2 2 349.479 1.247 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000333115466 300245451 /nfs/dbraw/zinc/24/54/51/300245451.db2.gz YOBSPFWMDKIVJD-LSDHHAIUSA-N 2 2 349.479 1.247 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C ZINC000420295360 304744417 /nfs/dbraw/zinc/74/44/17/304744417.db2.gz ACKLILMTLODQIT-KRWDZBQOSA-N 2 2 328.420 1.044 20 0 EDADLP C[C@H](O)C[C@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000448393420 447316633 /nfs/dbraw/zinc/31/66/33/447316633.db2.gz YUDMCOWRBMNVFR-DOTOQJQBSA-N 2 2 340.512 1.347 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)CCC2 ZINC000374423728 302324128 /nfs/dbraw/zinc/32/41/28/302324128.db2.gz XFWBRGWFVZNQBG-OAHLLOKOSA-N 2 2 349.479 1.167 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000422038918 447321467 /nfs/dbraw/zinc/32/14/67/447321467.db2.gz QUOYOALGADSLIE-INIZCTEOSA-N 2 2 332.448 1.080 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000422038918 447321472 /nfs/dbraw/zinc/32/14/72/447321472.db2.gz QUOYOALGADSLIE-INIZCTEOSA-N 2 2 332.448 1.080 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)c1ccco1 ZINC000414795033 447325278 /nfs/dbraw/zinc/32/52/78/447325278.db2.gz USQXAFPFGBDBGG-CYBMUJFWSA-N 2 2 345.403 1.395 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153560 /nfs/dbraw/zinc/15/35/60/303153560.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 3 2 331.504 1.726 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153561 /nfs/dbraw/zinc/15/35/61/303153561.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 3 2 331.504 1.726 20 0 EDADLP CC[NH+]1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153563 /nfs/dbraw/zinc/15/35/63/303153563.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 3 2 331.504 1.726 20 0 EDADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295152069 303180802 /nfs/dbraw/zinc/18/08/02/303180802.db2.gz RGFKGZZHIJRIPJ-IRXDYDNUSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295152069 303180803 /nfs/dbraw/zinc/18/08/03/303180803.db2.gz RGFKGZZHIJRIPJ-IRXDYDNUSA-N 2 2 333.476 1.864 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000295210624 303189223 /nfs/dbraw/zinc/18/92/23/303189223.db2.gz AMKQACSWQRJNGI-AEFFLSMTSA-N 2 2 333.476 1.873 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000296349968 303312548 /nfs/dbraw/zinc/31/25/48/303312548.db2.gz ZOGARSMHWUOYDK-CQSZACIVSA-N 2 2 343.431 1.524 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000296672094 303330137 /nfs/dbraw/zinc/33/01/37/303330137.db2.gz FZBAPEUHXCFEKK-GDBMZVCRSA-N 2 2 337.489 1.640 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000297081482 303359544 /nfs/dbraw/zinc/35/95/44/303359544.db2.gz MCDLVKJJLNVKEE-AWEZNQCLSA-N 2 2 329.404 1.332 20 0 EDADLP CC(C)c1nc(NCCN2CCC([NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000301965639 303705501 /nfs/dbraw/zinc/70/55/01/303705501.db2.gz KHCLQYVMGGSHEZ-UHFFFAOYSA-N 2 2 335.500 1.499 20 0 EDADLP C[C@H]1CN(c2ccc(CNc3cc[nH+]cc3C(N)=O)c[nH+]2)C[C@H](C)O1 ZINC000302244090 303719964 /nfs/dbraw/zinc/71/99/64/303719964.db2.gz ZGCOQJXAPOYFQW-STQMWFEESA-N 2 2 341.415 1.801 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000186351690 303760017 /nfs/dbraw/zinc/76/00/17/303760017.db2.gz WABFCOUIYVRVGX-KRWDZBQOSA-N 2 2 331.485 1.812 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cc(C)[nH+]1 ZINC000420675798 304772750 /nfs/dbraw/zinc/77/27/50/304772750.db2.gz PCVIQYSTFVUUNO-UHFFFAOYSA-N 2 2 334.464 1.550 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420916581 304783732 /nfs/dbraw/zinc/78/37/32/304783732.db2.gz OXWZPQRMNOQNBB-HXUWFJFHSA-N 2 2 347.503 1.407 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc(C)[nH+]1 ZINC000422361650 304856865 /nfs/dbraw/zinc/85/68/65/304856865.db2.gz RLPCNIXIJFSISN-CQSZACIVSA-N 2 2 334.464 1.407 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc(C)[nH+]1 ZINC000422590643 304873330 /nfs/dbraw/zinc/87/33/30/304873330.db2.gz PGDWGJUHZYRDGA-HOTGVXAUSA-N 2 2 346.475 1.694 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000422721814 304879271 /nfs/dbraw/zinc/87/92/71/304879271.db2.gz OJYKCKUVZNZAHK-APWZRJJASA-N 3 2 333.476 1.485 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422914448 304879889 /nfs/dbraw/zinc/87/98/89/304879889.db2.gz UGQLCYOQTDTZHG-CRAIPNDOSA-N 3 2 332.492 1.598 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)[C@H]1CCC[NH2+]1 ZINC000422938925 304880737 /nfs/dbraw/zinc/88/07/37/304880737.db2.gz LITFCKSQHLLSDV-SGMGOOAPSA-N 2 2 343.265 1.919 20 0 EDADLP COCCOCc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423143062 304888347 /nfs/dbraw/zinc/88/83/47/304888347.db2.gz WGBJQNQPBUIXJT-RBUKOAKNSA-N 2 2 334.460 1.706 20 0 EDADLP COC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[NH2+]C1 ZINC000423298709 304891565 /nfs/dbraw/zinc/89/15/65/304891565.db2.gz ABFXNYDICPRUPO-GOSISDBHSA-N 2 2 332.448 1.314 20 0 EDADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428242981 305008728 /nfs/dbraw/zinc/00/87/28/305008728.db2.gz MVRWKTGBCUHVSH-LBPRGKRZSA-N 2 2 330.270 1.931 20 0 EDADLP CCOC1(C)CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000428721176 305015658 /nfs/dbraw/zinc/01/56/58/305015658.db2.gz DDMCZQJNMXNEDM-UHFFFAOYSA-N 2 2 349.475 1.815 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000430567351 305056124 /nfs/dbraw/zinc/05/61/24/305056124.db2.gz FIDVMBPKTKZVGD-QGZVFWFLSA-N 2 2 343.418 1.910 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000430625169 305059855 /nfs/dbraw/zinc/05/98/55/305059855.db2.gz PUFCMOPWLMXPFT-UHFFFAOYSA-N 2 2 333.476 1.824 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000430625169 305059856 /nfs/dbraw/zinc/05/98/56/305059856.db2.gz PUFCMOPWLMXPFT-UHFFFAOYSA-N 2 2 333.476 1.824 20 0 EDADLP [NH3+][C@@H]1CCN(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000430625533 305059928 /nfs/dbraw/zinc/05/99/28/305059928.db2.gz JURYGMPKTNXVQF-MRXNPFEDSA-N 2 2 336.867 1.017 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000430665313 305061846 /nfs/dbraw/zinc/06/18/46/305061846.db2.gz MLCYHZSJKUGXBI-UHFFFAOYSA-N 3 2 330.476 1.015 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000430665313 305061847 /nfs/dbraw/zinc/06/18/47/305061847.db2.gz MLCYHZSJKUGXBI-UHFFFAOYSA-N 3 2 330.476 1.015 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[C@@H]3CCC[NH2+]3)CCCCCC2)no1 ZINC000430692359 305062538 /nfs/dbraw/zinc/06/25/38/305062538.db2.gz ROUQLVKYEJPHFH-AWEZNQCLSA-N 2 2 349.479 1.939 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000430707627 305063014 /nfs/dbraw/zinc/06/30/14/305063014.db2.gz YFZMJFGGHLITKN-ROUUACIJSA-N 2 2 331.460 1.174 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000430707627 305063015 /nfs/dbraw/zinc/06/30/15/305063015.db2.gz YFZMJFGGHLITKN-ROUUACIJSA-N 2 2 331.460 1.174 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430809903 305065153 /nfs/dbraw/zinc/06/51/53/305065153.db2.gz JDWGJDMWGUTPSF-MRXNPFEDSA-N 2 2 333.432 1.144 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000430918368 305068028 /nfs/dbraw/zinc/06/80/28/305068028.db2.gz HIBCRIQXTASWGO-OLZOCXBDSA-N 2 2 325.403 1.553 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000430918368 305068029 /nfs/dbraw/zinc/06/80/29/305068029.db2.gz HIBCRIQXTASWGO-OLZOCXBDSA-N 2 2 325.403 1.553 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430931048 305068870 /nfs/dbraw/zinc/06/88/70/305068870.db2.gz CDNTVMIDVXWHJY-ZIAGYGMSSA-N 2 2 333.432 1.716 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430931048 305068871 /nfs/dbraw/zinc/06/88/71/305068871.db2.gz CDNTVMIDVXWHJY-ZIAGYGMSSA-N 2 2 333.432 1.716 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000430951115 305070436 /nfs/dbraw/zinc/07/04/36/305070436.db2.gz UDOFIQNPQDSSDA-SOLBZPMBSA-N 2 2 333.476 1.940 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000430951115 305070437 /nfs/dbraw/zinc/07/04/37/305070437.db2.gz UDOFIQNPQDSSDA-SOLBZPMBSA-N 2 2 333.476 1.940 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000431009025 305072718 /nfs/dbraw/zinc/07/27/18/305072718.db2.gz VNMUEZPOPCNAGV-CYBMUJFWSA-N 2 2 345.447 1.232 20 0 EDADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C[C@H](O)COCc1ccccc1 ZINC000431080724 305074428 /nfs/dbraw/zinc/07/44/28/305074428.db2.gz MWICKXNPWZRGQN-AWEZNQCLSA-N 2 2 334.420 1.273 20 0 EDADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C[C@H](O)COCc1ccccc1 ZINC000431080724 305074429 /nfs/dbraw/zinc/07/44/29/305074429.db2.gz MWICKXNPWZRGQN-AWEZNQCLSA-N 2 2 334.420 1.273 20 0 EDADLP C[C@@H]1C[N@H+](CCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)CCCO1 ZINC000432859902 305096472 /nfs/dbraw/zinc/09/64/72/305096472.db2.gz QEEVNLVLSQVAKT-CVEARBPZSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)CCCO1 ZINC000432859902 305096473 /nfs/dbraw/zinc/09/64/73/305096473.db2.gz QEEVNLVLSQVAKT-CVEARBPZSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@@H]1C[N@H+](CCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)CCCO1 ZINC000432859902 305096474 /nfs/dbraw/zinc/09/64/74/305096474.db2.gz QEEVNLVLSQVAKT-CVEARBPZSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)CCCO1 ZINC000432859902 305096475 /nfs/dbraw/zinc/09/64/75/305096475.db2.gz QEEVNLVLSQVAKT-CVEARBPZSA-N 2 2 349.479 1.351 20 0 EDADLP O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434985923 305133901 /nfs/dbraw/zinc/13/39/01/305133901.db2.gz DGXFZOABZHQEPY-AWEZNQCLSA-N 2 2 345.399 1.758 20 0 EDADLP C[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435621851 305143726 /nfs/dbraw/zinc/14/37/26/305143726.db2.gz ASUGFVSNQYDCSH-MRXNPFEDSA-N 2 2 348.466 1.548 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435621851 305143727 /nfs/dbraw/zinc/14/37/27/305143727.db2.gz ASUGFVSNQYDCSH-MRXNPFEDSA-N 2 2 348.466 1.548 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000436064237 305151947 /nfs/dbraw/zinc/15/19/47/305151947.db2.gz MALOOUOIMCAQGQ-HNNXBMFYSA-N 2 2 343.431 1.556 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2)no1 ZINC000436064237 305151948 /nfs/dbraw/zinc/15/19/48/305151948.db2.gz MALOOUOIMCAQGQ-HNNXBMFYSA-N 2 2 343.431 1.556 20 0 EDADLP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c3ccncc23)c1 ZINC000444083179 305243480 /nfs/dbraw/zinc/24/34/80/305243480.db2.gz JQJRIIADAWKYMA-UHFFFAOYSA-N 2 2 349.438 1.955 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000446893929 305271585 /nfs/dbraw/zinc/27/15/85/305271585.db2.gz WSBBRHLHLNWYAS-AWEZNQCLSA-N 2 2 337.489 1.604 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447564140 305282217 /nfs/dbraw/zinc/28/22/17/305282217.db2.gz VHUPEZIPNZLZHR-ZBFHGGJFSA-N 2 2 342.447 1.071 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447564140 305282218 /nfs/dbraw/zinc/28/22/18/305282218.db2.gz VHUPEZIPNZLZHR-ZBFHGGJFSA-N 2 2 342.447 1.071 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448320767 305295493 /nfs/dbraw/zinc/29/54/93/305295493.db2.gz KHRKOEYFQATEIT-AWEZNQCLSA-N 2 2 334.420 1.265 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448320767 305295494 /nfs/dbraw/zinc/29/54/94/305295494.db2.gz KHRKOEYFQATEIT-AWEZNQCLSA-N 2 2 334.420 1.265 20 0 EDADLP COC(=O)Cn1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000449233638 305309112 /nfs/dbraw/zinc/30/91/12/305309112.db2.gz MOEDXADFTSTDSQ-ZIAGYGMSSA-N 2 2 335.452 1.194 20 0 EDADLP COC(=O)Cn1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000449233638 305309113 /nfs/dbraw/zinc/30/91/13/305309113.db2.gz MOEDXADFTSTDSQ-ZIAGYGMSSA-N 2 2 335.452 1.194 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449731293 305318157 /nfs/dbraw/zinc/31/81/57/305318157.db2.gz VFJYMWMCKRZYRA-LPWJVIDDSA-N 2 2 339.402 1.516 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC(C)(C)CO ZINC000451250528 305335410 /nfs/dbraw/zinc/33/54/10/305335410.db2.gz SKLNWQBFCQHBBW-HNNXBMFYSA-N 2 2 334.464 1.069 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC(C)(C)CO ZINC000451250528 305335411 /nfs/dbraw/zinc/33/54/11/305335411.db2.gz SKLNWQBFCQHBBW-HNNXBMFYSA-N 2 2 334.464 1.069 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000451958610 305374197 /nfs/dbraw/zinc/37/41/97/305374197.db2.gz HSOXPJKTIOQPCT-DOTOQJQBSA-N 2 2 325.522 1.758 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000451958610 305374198 /nfs/dbraw/zinc/37/41/98/305374198.db2.gz HSOXPJKTIOQPCT-DOTOQJQBSA-N 2 2 325.522 1.758 20 0 EDADLP C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000452095075 305382283 /nfs/dbraw/zinc/38/22/83/305382283.db2.gz KQGNQAAXVOYFTC-SJLPKXTDSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000452095075 305382284 /nfs/dbraw/zinc/38/22/84/305382284.db2.gz KQGNQAAXVOYFTC-SJLPKXTDSA-N 2 2 331.460 1.034 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC1CC[NH2+]CC1)c1ccccc1 ZINC000514923504 305709641 /nfs/dbraw/zinc/70/96/41/305709641.db2.gz CUQQCBWZZGWFCY-MRXNPFEDSA-N 2 2 327.432 1.808 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000515048293 305713404 /nfs/dbraw/zinc/71/34/04/305713404.db2.gz IKWPBAKVXQSTDF-ZRGWGRIASA-N 2 2 340.471 1.870 20 0 EDADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)COc1cccc(C(F)(F)F)c1 ZINC000518757576 305763511 /nfs/dbraw/zinc/76/35/11/305763511.db2.gz FRPCJDWBPAVFML-CYBMUJFWSA-N 2 2 329.322 1.931 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCn3ccnn3)c2cc1C ZINC000518760369 305763652 /nfs/dbraw/zinc/76/36/52/305763652.db2.gz XZLPDYYIPXTQET-HNNXBMFYSA-N 2 2 328.420 1.285 20 0 EDADLP CCc1nncn1CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000521228080 305786806 /nfs/dbraw/zinc/78/68/06/305786806.db2.gz JHAWVPIUDZUHBX-OAHLLOKOSA-N 2 2 342.447 1.458 20 0 EDADLP Cc1cccn2cc(CC(=O)NCc3c[nH+]c(N(C)C)n3C)[nH+]c12 ZINC000524410947 305815784 /nfs/dbraw/zinc/81/57/84/305815784.db2.gz ZZIXDSFEJJIFEX-UHFFFAOYSA-N 2 2 326.404 1.301 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528691437 305884748 /nfs/dbraw/zinc/88/47/48/305884748.db2.gz ROSQXGGOUTVJIY-INIZCTEOSA-N 2 2 343.431 1.957 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000535313810 306013006 /nfs/dbraw/zinc/01/30/06/306013006.db2.gz NBTHBZKRXIMLPL-CABCVRRESA-N 2 2 348.447 1.011 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000535313810 306013007 /nfs/dbraw/zinc/01/30/07/306013007.db2.gz NBTHBZKRXIMLPL-CABCVRRESA-N 2 2 348.447 1.011 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1(C)C ZINC000551955104 306170691 /nfs/dbraw/zinc/17/06/91/306170691.db2.gz PMLCJCVDSHOHMZ-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1(C)C ZINC000551955104 306170692 /nfs/dbraw/zinc/17/06/92/306170692.db2.gz PMLCJCVDSHOHMZ-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)ccc2O)CC1 ZINC000552128607 306175572 /nfs/dbraw/zinc/17/55/72/306175572.db2.gz KIHQNUZHUPCIEO-UHFFFAOYSA-N 2 2 330.363 1.930 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000555903109 306207104 /nfs/dbraw/zinc/20/71/04/306207104.db2.gz BZRMQFPIPAINBU-MRXNPFEDSA-N 2 2 332.448 1.128 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000555903109 306207105 /nfs/dbraw/zinc/20/71/05/306207105.db2.gz BZRMQFPIPAINBU-MRXNPFEDSA-N 2 2 332.448 1.128 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)[N@H+](C)C1 ZINC000556753900 306215702 /nfs/dbraw/zinc/21/57/02/306215702.db2.gz WOSSAHMTLRAIOO-PMPSAXMXSA-N 2 2 349.479 1.429 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)[N@@H+](C)C1 ZINC000556753900 306215703 /nfs/dbraw/zinc/21/57/03/306215703.db2.gz WOSSAHMTLRAIOO-PMPSAXMXSA-N 2 2 349.479 1.429 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1C(=O)NC(C)C ZINC000556964511 306221989 /nfs/dbraw/zinc/22/19/89/306221989.db2.gz PGTUSERBMNULRR-HNNXBMFYSA-N 2 2 347.463 1.240 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1C(=O)NC(C)C ZINC000556964511 306221990 /nfs/dbraw/zinc/22/19/90/306221990.db2.gz PGTUSERBMNULRR-HNNXBMFYSA-N 2 2 347.463 1.240 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000557137888 306224942 /nfs/dbraw/zinc/22/49/42/306224942.db2.gz JTEQIBSEHVFKFJ-GOEBONIOSA-N 2 2 327.432 1.808 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@H](C)C1 ZINC000557527604 306228962 /nfs/dbraw/zinc/22/89/62/306228962.db2.gz XOHPUGQEFNGDTM-GFCCVEGCSA-N 2 2 330.436 1.201 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@H](C)C1 ZINC000557527604 306228963 /nfs/dbraw/zinc/22/89/63/306228963.db2.gz XOHPUGQEFNGDTM-GFCCVEGCSA-N 2 2 330.436 1.201 20 0 EDADLP Cc1cnc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000425956080 447368034 /nfs/dbraw/zinc/36/80/34/447368034.db2.gz BRLBYCDLRDJDQU-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP Cc1cnc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000425956080 447368038 /nfs/dbraw/zinc/36/80/38/447368038.db2.gz BRLBYCDLRDJDQU-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP Cc1cnc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000425956080 447368044 /nfs/dbraw/zinc/36/80/44/447368044.db2.gz BRLBYCDLRDJDQU-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP Cc1cnc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000425956080 447368047 /nfs/dbraw/zinc/36/80/47/447368047.db2.gz BRLBYCDLRDJDQU-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000414955997 447371990 /nfs/dbraw/zinc/37/19/90/447371990.db2.gz PJRBTFWKQAZMQW-HNAYVOBHSA-N 3 2 340.471 1.627 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000414954081 447372095 /nfs/dbraw/zinc/37/20/95/447372095.db2.gz MPFVCBSOLFDUPL-YOEHRIQHSA-N 2 2 331.460 1.822 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000449444021 447373407 /nfs/dbraw/zinc/37/34/07/447373407.db2.gz XSBZWOJCLWDWOU-IAGOWNOFSA-N 2 2 339.505 1.568 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000449444021 447373412 /nfs/dbraw/zinc/37/34/12/447373412.db2.gz XSBZWOJCLWDWOU-IAGOWNOFSA-N 2 2 339.505 1.568 20 0 EDADLP C[NH2+][C@H](C)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000414970237 447378360 /nfs/dbraw/zinc/37/83/60/447378360.db2.gz HDDGHYOPBNWHKE-GFCCVEGCSA-N 2 2 342.281 1.983 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000458592218 447425494 /nfs/dbraw/zinc/42/54/94/447425494.db2.gz YYVRPYWHUPNEKO-CVEARBPZSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)CCC2 ZINC000458592218 447425496 /nfs/dbraw/zinc/42/54/96/447425496.db2.gz YYVRPYWHUPNEKO-CVEARBPZSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000422261492 447431115 /nfs/dbraw/zinc/43/11/15/447431115.db2.gz PEQVKMDXOWZXQN-BBRMVZONSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000422261492 447431119 /nfs/dbraw/zinc/43/11/19/447431119.db2.gz PEQVKMDXOWZXQN-BBRMVZONSA-N 2 2 346.475 1.551 20 0 EDADLP COCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378496625 447434589 /nfs/dbraw/zinc/43/45/89/447434589.db2.gz QBDHIZODUJUWHJ-DOTOQJQBSA-N 2 2 325.497 1.676 20 0 EDADLP COCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378496625 447434594 /nfs/dbraw/zinc/43/45/94/447434594.db2.gz QBDHIZODUJUWHJ-DOTOQJQBSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000046392100 441106252 /nfs/dbraw/zinc/10/62/52/441106252.db2.gz HHGMBOYSHFLWGR-MRXNPFEDSA-N 2 2 334.464 1.839 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000046392100 441106254 /nfs/dbraw/zinc/10/62/54/441106254.db2.gz HHGMBOYSHFLWGR-MRXNPFEDSA-N 2 2 334.464 1.839 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOc2ccccc2F)CC1 ZINC000070870137 441125066 /nfs/dbraw/zinc/12/50/66/441125066.db2.gz SRKQHZAZHZKDCM-HNNXBMFYSA-N 2 2 337.439 1.689 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2F)CC1 ZINC000070870137 441125069 /nfs/dbraw/zinc/12/50/69/441125069.db2.gz SRKQHZAZHZKDCM-HNNXBMFYSA-N 2 2 337.439 1.689 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000047151937 441160616 /nfs/dbraw/zinc/16/06/16/441160616.db2.gz ZGMRCKVNDLAYKY-MRXNPFEDSA-N 2 2 333.476 1.979 20 0 EDADLP CC(C)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000105130365 441236145 /nfs/dbraw/zinc/23/61/45/441236145.db2.gz GIQGJHCDWUTRJJ-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000104787934 441209580 /nfs/dbraw/zinc/20/95/80/441209580.db2.gz AKZOCNJGQSSJRX-KRWDZBQOSA-N 2 2 343.431 1.061 20 0 EDADLP CC(C)[N@H+](CC(N)=O)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000016419743 441223696 /nfs/dbraw/zinc/22/36/96/441223696.db2.gz KPQFYDDZDFRDKN-MRXNPFEDSA-N 2 2 346.475 1.088 20 0 EDADLP CC(C)[N@@H+](CC(N)=O)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000016419743 441223701 /nfs/dbraw/zinc/22/37/01/441223701.db2.gz KPQFYDDZDFRDKN-MRXNPFEDSA-N 2 2 346.475 1.088 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000105301027 441249826 /nfs/dbraw/zinc/24/98/26/441249826.db2.gz LWTWBGSYVPJMEQ-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP O=C(NCCn1cc[nH+]c1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048147373 441264612 /nfs/dbraw/zinc/26/46/12/441264612.db2.gz NJZDIYIFXJROGH-UHFFFAOYSA-N 2 2 329.404 1.537 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000072860456 441270298 /nfs/dbraw/zinc/27/02/98/441270298.db2.gz BKYCKCXTKBJXTM-LSDHHAIUSA-N 2 2 339.480 1.060 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000072860456 441270301 /nfs/dbraw/zinc/27/03/01/441270301.db2.gz BKYCKCXTKBJXTM-LSDHHAIUSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000072860456 441270304 /nfs/dbraw/zinc/27/03/04/441270304.db2.gz BKYCKCXTKBJXTM-LSDHHAIUSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)C1 ZINC000072860456 441270306 /nfs/dbraw/zinc/27/03/06/441270306.db2.gz BKYCKCXTKBJXTM-LSDHHAIUSA-N 2 2 339.480 1.060 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCOc2ccccc2)C1 ZINC000081569536 441291296 /nfs/dbraw/zinc/29/12/96/441291296.db2.gz AAMNWCIKPXRREW-KRWDZBQOSA-N 2 2 333.476 1.845 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCOc2ccccc2)C1 ZINC000081569536 441291300 /nfs/dbraw/zinc/29/13/00/441291300.db2.gz AAMNWCIKPXRREW-KRWDZBQOSA-N 2 2 333.476 1.845 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000081569536 441291303 /nfs/dbraw/zinc/29/13/03/441291303.db2.gz AAMNWCIKPXRREW-KRWDZBQOSA-N 2 2 333.476 1.845 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000081569536 441291307 /nfs/dbraw/zinc/29/13/07/441291307.db2.gz AAMNWCIKPXRREW-KRWDZBQOSA-N 2 2 333.476 1.845 20 0 EDADLP CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000419832700 447439335 /nfs/dbraw/zinc/43/93/35/447439335.db2.gz VSEIAHVCNWVZCK-ZIAGYGMSSA-N 2 2 327.494 1.521 20 0 EDADLP CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000419832700 447439339 /nfs/dbraw/zinc/43/93/39/447439339.db2.gz VSEIAHVCNWVZCK-ZIAGYGMSSA-N 2 2 327.494 1.521 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073352779 441311981 /nfs/dbraw/zinc/31/19/81/441311981.db2.gz PKIZDIVTOPSFJK-UHFFFAOYSA-N 2 2 341.459 1.440 20 0 EDADLP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC[NH+]1CCOCC1 ZINC000083992290 441380581 /nfs/dbraw/zinc/38/05/81/441380581.db2.gz WLDRBUUHQFXGLO-UHFFFAOYSA-N 2 2 340.493 1.154 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCO[C@H](C)C1 ZINC000028127986 441426881 /nfs/dbraw/zinc/42/68/81/441426881.db2.gz DNSPFEKZTUDNLK-SJORKVTESA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCO[C@H](C)C1 ZINC000028127986 441426885 /nfs/dbraw/zinc/42/68/85/441426885.db2.gz DNSPFEKZTUDNLK-SJORKVTESA-N 2 2 345.487 1.876 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000052288815 441445041 /nfs/dbraw/zinc/44/50/41/441445041.db2.gz XWCGGSLGGWMVSI-UHFFFAOYSA-N 2 2 332.795 1.992 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000109168012 441490409 /nfs/dbraw/zinc/49/04/09/441490409.db2.gz FGVLZXLEUFCVJF-INIZCTEOSA-N 2 2 349.479 1.276 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000052519843 441456438 /nfs/dbraw/zinc/45/64/38/441456438.db2.gz RYHYZXYYDFKLBX-JKSUJKDBSA-N 2 2 327.432 1.903 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000052519843 441456441 /nfs/dbraw/zinc/45/64/41/441456441.db2.gz RYHYZXYYDFKLBX-JKSUJKDBSA-N 2 2 327.432 1.903 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000089129835 441526900 /nfs/dbraw/zinc/52/69/00/441526900.db2.gz DMESCAKSWCHPGQ-HNNXBMFYSA-N 2 2 336.407 1.766 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000089129835 441526903 /nfs/dbraw/zinc/52/69/03/441526903.db2.gz DMESCAKSWCHPGQ-HNNXBMFYSA-N 2 2 336.407 1.766 20 0 EDADLP Cc1cc[nH+]c(NNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000088423317 441508150 /nfs/dbraw/zinc/50/81/50/441508150.db2.gz CJTQNWDIKMOQFZ-GOSISDBHSA-N 2 2 339.443 1.822 20 0 EDADLP C[C@@H]1CC[C@H](CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000075199996 441508868 /nfs/dbraw/zinc/50/88/68/441508868.db2.gz HYALODJTVCNGBY-NVXWUHKLSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@@H]1CC[C@H](CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000075199996 441508870 /nfs/dbraw/zinc/50/88/70/441508870.db2.gz HYALODJTVCNGBY-NVXWUHKLSA-N 2 2 325.497 1.819 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000076036890 441580478 /nfs/dbraw/zinc/58/04/78/441580478.db2.gz IUGKOJFGRTWKHT-LBPRGKRZSA-N 2 2 347.385 1.975 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000076036890 441580480 /nfs/dbraw/zinc/58/04/80/441580480.db2.gz IUGKOJFGRTWKHT-LBPRGKRZSA-N 2 2 347.385 1.975 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)CC[NH+]1CCCC1 ZINC000089897802 441591438 /nfs/dbraw/zinc/59/14/38/441591438.db2.gz UJIAHONAOKFECK-QGZVFWFLSA-N 2 2 345.491 1.146 20 0 EDADLP C[C@@H](CNC(=O)NCc1[nH+]ccn1CC(F)(F)F)C[NH+]1CCCC1 ZINC000076075387 441593580 /nfs/dbraw/zinc/59/35/80/441593580.db2.gz CHXDAYNGSXICCB-LBPRGKRZSA-N 2 2 347.385 1.977 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)ccc2n1C ZINC000076299003 441624853 /nfs/dbraw/zinc/62/48/53/441624853.db2.gz ZHSISANFRUYZQN-UHFFFAOYSA-N 2 2 345.447 1.524 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@@H]1CCCO1 ZINC000076297748 441624904 /nfs/dbraw/zinc/62/49/04/441624904.db2.gz SYCBCEOHGMZUTA-INIZCTEOSA-N 2 2 337.489 1.503 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@@H]1CCCO1 ZINC000076297748 441624907 /nfs/dbraw/zinc/62/49/07/441624907.db2.gz SYCBCEOHGMZUTA-INIZCTEOSA-N 2 2 337.489 1.503 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113934323 441628605 /nfs/dbraw/zinc/62/86/05/441628605.db2.gz JXQRVJNHJIXLII-HRCADAONSA-N 2 2 338.496 1.807 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000113934323 441628608 /nfs/dbraw/zinc/62/86/08/441628608.db2.gz JXQRVJNHJIXLII-HRCADAONSA-N 2 2 338.496 1.807 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113934323 441628612 /nfs/dbraw/zinc/62/86/12/441628612.db2.gz JXQRVJNHJIXLII-HRCADAONSA-N 2 2 338.496 1.807 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000113934323 441628613 /nfs/dbraw/zinc/62/86/13/441628613.db2.gz JXQRVJNHJIXLII-HRCADAONSA-N 2 2 338.496 1.807 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000114124609 441636813 /nfs/dbraw/zinc/63/68/13/441636813.db2.gz RNCAMIDSXREGBE-UHFFFAOYSA-N 2 2 338.371 1.565 20 0 EDADLP CC(C)[N@H+](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000067570667 441653724 /nfs/dbraw/zinc/65/37/24/441653724.db2.gz PEKIPXDJBQUTFA-CQSZACIVSA-N 2 2 325.478 1.578 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000067570667 441653726 /nfs/dbraw/zinc/65/37/26/441653726.db2.gz PEKIPXDJBQUTFA-CQSZACIVSA-N 2 2 325.478 1.578 20 0 EDADLP O=C(C[N@@H+]1CCOC[C@H]1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000090009045 441613632 /nfs/dbraw/zinc/61/36/32/441613632.db2.gz MYFPBGMXIJDQIY-IBGZPJMESA-N 2 2 343.471 1.442 20 0 EDADLP O=C(C[N@H+]1CCOC[C@H]1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000090009045 441613636 /nfs/dbraw/zinc/61/36/36/441613636.db2.gz MYFPBGMXIJDQIY-IBGZPJMESA-N 2 2 343.471 1.442 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000076745760 441682687 /nfs/dbraw/zinc/68/26/87/441682687.db2.gz WVNHZIUBAIHSLM-OAHLLOKOSA-N 2 2 347.463 1.238 20 0 EDADLP CCOC(=O)C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000091789868 441742454 /nfs/dbraw/zinc/74/24/54/441742454.db2.gz MMKIQGGRXSWERM-UHFFFAOYSA-N 2 2 349.479 1.250 20 0 EDADLP CCOC(=O)C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000091789868 441742456 /nfs/dbraw/zinc/74/24/56/441742456.db2.gz MMKIQGGRXSWERM-UHFFFAOYSA-N 2 2 349.479 1.250 20 0 EDADLP COC(=O)[C@H]1CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000121672052 441754583 /nfs/dbraw/zinc/75/45/83/441754583.db2.gz IXXWLBGVGZAXLU-XLBHYRNJSA-N 2 2 338.448 1.598 20 0 EDADLP COC(=O)[C@H]1CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000121672052 441754591 /nfs/dbraw/zinc/75/45/91/441754591.db2.gz IXXWLBGVGZAXLU-XLBHYRNJSA-N 2 2 338.448 1.598 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173525799 441778874 /nfs/dbraw/zinc/77/88/74/441778874.db2.gz BJUJQEPVVUBDNM-DYVFJYSZSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000173525799 441778878 /nfs/dbraw/zinc/77/88/78/441778878.db2.gz BJUJQEPVVUBDNM-DYVFJYSZSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000173525799 441778882 /nfs/dbraw/zinc/77/88/82/441778882.db2.gz BJUJQEPVVUBDNM-DYVFJYSZSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000173525799 441778889 /nfs/dbraw/zinc/77/88/89/441778889.db2.gz BJUJQEPVVUBDNM-DYVFJYSZSA-N 2 2 332.448 1.998 20 0 EDADLP Cn1nccc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000093104981 441857858 /nfs/dbraw/zinc/85/78/58/441857858.db2.gz SAECGDGNNCNBEU-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP Cn1nccc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000093104981 441857861 /nfs/dbraw/zinc/85/78/61/441857861.db2.gz SAECGDGNNCNBEU-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000173953528 441868504 /nfs/dbraw/zinc/86/85/04/441868504.db2.gz UGWIXISUBKZQHH-MRXNPFEDSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000173953528 441868510 /nfs/dbraw/zinc/86/85/10/441868510.db2.gz UGWIXISUBKZQHH-MRXNPFEDSA-N 2 2 331.464 1.834 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173954062 441868770 /nfs/dbraw/zinc/86/87/70/441868770.db2.gz HRGCCWBPWCJYJY-MRXNPFEDSA-N 2 2 347.463 1.390 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000068597219 441829837 /nfs/dbraw/zinc/82/98/37/441829837.db2.gz VGHUBCCESCRWEI-LSDHHAIUSA-N 2 2 349.479 1.446 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](CCO)C2CC2)CC1 ZINC000077761058 441851107 /nfs/dbraw/zinc/85/11/07/441851107.db2.gz MJGKEUOZOOAJER-MRXNPFEDSA-N 2 2 331.460 1.349 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](CCO)C2CC2)CC1 ZINC000077761058 441851116 /nfs/dbraw/zinc/85/11/16/441851116.db2.gz MJGKEUOZOOAJER-MRXNPFEDSA-N 2 2 331.460 1.349 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124430141 441926321 /nfs/dbraw/zinc/92/63/21/441926321.db2.gz ZMSIGSPMYTYNFL-HUUCEWRRSA-N 2 2 335.452 1.610 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124430141 441926326 /nfs/dbraw/zinc/92/63/26/441926326.db2.gz ZMSIGSPMYTYNFL-HUUCEWRRSA-N 2 2 335.452 1.610 20 0 EDADLP CCOCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000093311531 441875802 /nfs/dbraw/zinc/87/58/02/441875802.db2.gz YEUJPVQKLYYYQU-UHFFFAOYSA-N 2 2 349.475 1.103 20 0 EDADLP CCOCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000093311531 441875806 /nfs/dbraw/zinc/87/58/06/441875806.db2.gz YEUJPVQKLYYYQU-UHFFFAOYSA-N 2 2 349.475 1.103 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)CC[N@@H+]1C ZINC000123701547 441896180 /nfs/dbraw/zinc/89/61/80/441896180.db2.gz ZSVRMQWVOQBTTI-ZBFHGGJFSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)CC[N@H+]1C ZINC000123701547 441896185 /nfs/dbraw/zinc/89/61/85/441896185.db2.gz ZSVRMQWVOQBTTI-ZBFHGGJFSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)CC[NH+]1C ZINC000123701547 441896191 /nfs/dbraw/zinc/89/61/91/441896191.db2.gz ZSVRMQWVOQBTTI-ZBFHGGJFSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)CC[NH+]1C ZINC000123701547 441896198 /nfs/dbraw/zinc/89/61/98/441896198.db2.gz ZSVRMQWVOQBTTI-ZBFHGGJFSA-N 2 2 332.448 1.427 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069405088 441927546 /nfs/dbraw/zinc/92/75/46/441927546.db2.gz NQCFDBDEAIJSJJ-UHFFFAOYSA-N 2 2 333.436 1.410 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069405088 441927549 /nfs/dbraw/zinc/92/75/49/441927549.db2.gz NQCFDBDEAIJSJJ-UHFFFAOYSA-N 2 2 333.436 1.410 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCOCC1 ZINC000175001881 441994431 /nfs/dbraw/zinc/99/44/31/441994431.db2.gz ANGVYRGRJYSCGE-WBVHZDCISA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1CCOCC1 ZINC000175001881 441994436 /nfs/dbraw/zinc/99/44/36/441994436.db2.gz ANGVYRGRJYSCGE-WBVHZDCISA-N 2 2 338.496 1.271 20 0 EDADLP CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000161733578 442027843 /nfs/dbraw/zinc/02/78/43/442027843.db2.gz ZRCBUBBCJCCUJG-GUMHCPJTSA-N 2 2 345.487 1.659 20 0 EDADLP CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000161733578 442027848 /nfs/dbraw/zinc/02/78/48/442027848.db2.gz ZRCBUBBCJCCUJG-GUMHCPJTSA-N 2 2 345.487 1.659 20 0 EDADLP C[N@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000069741853 442028859 /nfs/dbraw/zinc/02/88/59/442028859.db2.gz DGJUUQVQJGETMK-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP C[N@@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000069741853 442028862 /nfs/dbraw/zinc/02/88/62/442028862.db2.gz DGJUUQVQJGETMK-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP C[C@H]1CCN(C(=O)NCCC[NH+]2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000151568014 442085531 /nfs/dbraw/zinc/08/55/31/442085531.db2.gz KDYFWXMRKIYPOM-HOTGVXAUSA-N 2 2 335.452 1.198 20 0 EDADLP CC(C)OC(=O)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163159933 442147293 /nfs/dbraw/zinc/14/72/93/442147293.db2.gz FELWPDUZEYQYSF-UHFFFAOYSA-N 2 2 326.360 1.964 20 0 EDADLP COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162495170 442098514 /nfs/dbraw/zinc/09/85/14/442098514.db2.gz AEKZAICPCPSTRR-HOTGVXAUSA-N 2 2 331.460 1.607 20 0 EDADLP COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162495170 442098520 /nfs/dbraw/zinc/09/85/20/442098520.db2.gz AEKZAICPCPSTRR-HOTGVXAUSA-N 2 2 331.460 1.607 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000176287440 442205166 /nfs/dbraw/zinc/20/51/66/442205166.db2.gz NMWRQYPSUJYGCR-RDJZCZTQSA-N 2 2 349.479 1.334 20 0 EDADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000165059446 442205506 /nfs/dbraw/zinc/20/55/06/442205506.db2.gz MKZAWBJFISSBJT-HEHGZKQESA-N 2 2 337.851 1.268 20 0 EDADLP C[C@@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000163389498 442162971 /nfs/dbraw/zinc/16/29/71/442162971.db2.gz OBGICQANYIWGEY-LSDHHAIUSA-N 2 2 335.452 1.615 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000176035361 442164775 /nfs/dbraw/zinc/16/47/75/442164775.db2.gz UDQUIUYTPMXIOY-UHFFFAOYSA-N 2 2 343.431 1.398 20 0 EDADLP CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000128454045 442266947 /nfs/dbraw/zinc/26/69/47/442266947.db2.gz VTGDYHWJNIIZGP-IRXDYDNUSA-N 2 2 340.512 1.611 20 0 EDADLP CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000128454045 442266951 /nfs/dbraw/zinc/26/69/51/442266951.db2.gz VTGDYHWJNIIZGP-IRXDYDNUSA-N 2 2 340.512 1.611 20 0 EDADLP CS[C@@H](C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000128506146 442270903 /nfs/dbraw/zinc/27/09/03/442270903.db2.gz JOSIQYXHCVMGFR-LSVZVQIISA-N 2 2 340.537 1.690 20 0 EDADLP CS[C@@H](C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000128506146 442270907 /nfs/dbraw/zinc/27/09/07/442270907.db2.gz JOSIQYXHCVMGFR-LSVZVQIISA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171004872 442298062 /nfs/dbraw/zinc/29/80/62/442298062.db2.gz IQVQZIKCVCUKLM-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171004872 442298065 /nfs/dbraw/zinc/29/80/65/442298065.db2.gz IQVQZIKCVCUKLM-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171004872 442298066 /nfs/dbraw/zinc/29/80/66/442298066.db2.gz IQVQZIKCVCUKLM-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171004872 442298069 /nfs/dbraw/zinc/29/80/69/442298069.db2.gz IQVQZIKCVCUKLM-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171008939 442298733 /nfs/dbraw/zinc/29/87/33/442298733.db2.gz OVLOFCFLMBCBCZ-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171008939 442298735 /nfs/dbraw/zinc/29/87/35/442298735.db2.gz OVLOFCFLMBCBCZ-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000171008939 442298737 /nfs/dbraw/zinc/29/87/37/442298737.db2.gz OVLOFCFLMBCBCZ-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000171008939 442298740 /nfs/dbraw/zinc/29/87/40/442298740.db2.gz OVLOFCFLMBCBCZ-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2c[nH]c3cc(F)ccc23)CC1 ZINC000177131349 442301746 /nfs/dbraw/zinc/30/17/46/442301746.db2.gz JOPQSWCQLQXWFV-UHFFFAOYSA-N 2 2 346.450 1.992 20 0 EDADLP COc1cccc([C@@H]2C[C@@H]2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177152506 442305916 /nfs/dbraw/zinc/30/59/16/442305916.db2.gz UISZEADVIUMPFO-OALUTQOASA-N 2 2 345.487 1.941 20 0 EDADLP C[C@@H](CNC(=O)c1ccccc1OCC[NH+](C)C)Cn1cc[nH+]c1 ZINC000153798765 442303960 /nfs/dbraw/zinc/30/39/60/442303960.db2.gz MAXGAHMZPVDHIJ-HNNXBMFYSA-N 2 2 330.432 1.890 20 0 EDADLP CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177256857 442321376 /nfs/dbraw/zinc/32/13/76/442321376.db2.gz GHJUGAYFTLEMPP-OAHLLOKOSA-N 2 2 329.404 1.978 20 0 EDADLP CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177256857 442321377 /nfs/dbraw/zinc/32/13/77/442321377.db2.gz GHJUGAYFTLEMPP-OAHLLOKOSA-N 2 2 329.404 1.978 20 0 EDADLP COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C[NH+](C)C)CC2)c1C ZINC000171261162 442335373 /nfs/dbraw/zinc/33/53/73/442335373.db2.gz XNFFXWRFNCHWDS-UHFFFAOYSA-N 2 2 348.491 1.691 20 0 EDADLP COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)C[NH+](C)C)CC2)c1C ZINC000171261162 442335376 /nfs/dbraw/zinc/33/53/76/442335376.db2.gz XNFFXWRFNCHWDS-UHFFFAOYSA-N 2 2 348.491 1.691 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(C(=O)Cc3cc(C)n[nH]3)CC2)CC1 ZINC000154447978 442340065 /nfs/dbraw/zinc/34/00/65/442340065.db2.gz NVGWYAJAZNVLLJ-UHFFFAOYSA-N 2 2 333.480 1.279 20 0 EDADLP CCCS(=O)(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171303785 442340606 /nfs/dbraw/zinc/34/06/06/442340606.db2.gz JWNADRYFJKNLOC-HZPDHXFCSA-N 2 2 346.537 1.632 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000171325742 442341574 /nfs/dbraw/zinc/34/15/74/442341574.db2.gz QESGCHSQIQDOMN-IYBDPMFKSA-N 2 2 349.479 1.414 20 0 EDADLP C[C@@H]1C[N@H+](CC2CCN(C(=O)NCCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000171325742 442341577 /nfs/dbraw/zinc/34/15/77/442341577.db2.gz QESGCHSQIQDOMN-IYBDPMFKSA-N 2 2 349.479 1.414 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)N1CCC[NH+](Cc2cscn2)CC1 ZINC000171326143 442341728 /nfs/dbraw/zinc/34/17/28/442341728.db2.gz OWTSBBCQTBTCJH-UHFFFAOYSA-N 2 2 339.509 1.701 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2cscn2)CC1 ZINC000171326143 442341730 /nfs/dbraw/zinc/34/17/30/442341730.db2.gz OWTSBBCQTBTCJH-UHFFFAOYSA-N 2 2 339.509 1.701 20 0 EDADLP CC(C)[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171326143 442341732 /nfs/dbraw/zinc/34/17/32/442341732.db2.gz OWTSBBCQTBTCJH-UHFFFAOYSA-N 2 2 339.509 1.701 20 0 EDADLP CC(C)[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171326143 442341736 /nfs/dbraw/zinc/34/17/36/442341736.db2.gz OWTSBBCQTBTCJH-UHFFFAOYSA-N 2 2 339.509 1.701 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccccc3C(C)=O)C2)CC1 ZINC000171527614 442354509 /nfs/dbraw/zinc/35/45/09/442354509.db2.gz ZOFRUFSABLDSAK-SFHVURJKSA-N 2 2 345.487 1.980 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccccc3C(C)=O)C2)CC1 ZINC000171527614 442354511 /nfs/dbraw/zinc/35/45/11/442354511.db2.gz ZOFRUFSABLDSAK-SFHVURJKSA-N 2 2 345.487 1.980 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000154564369 442345913 /nfs/dbraw/zinc/34/59/13/442345913.db2.gz NDKAHIPPBRKTHW-AWEZNQCLSA-N 2 2 330.407 1.963 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(N(C)C4CC4)n3)C2)CC1 ZINC000130565937 442349643 /nfs/dbraw/zinc/34/96/43/442349643.db2.gz HBFYHAMQFOWODQ-KRWDZBQOSA-N 2 2 349.548 1.954 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000129457480 442317426 /nfs/dbraw/zinc/31/74/26/442317426.db2.gz MLUOHJLNBATJPY-YJBOKZPZSA-N 3 2 345.491 1.509 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000129457480 442317429 /nfs/dbraw/zinc/31/74/29/442317429.db2.gz MLUOHJLNBATJPY-YJBOKZPZSA-N 3 2 345.491 1.509 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCSC1 ZINC000154035340 442317770 /nfs/dbraw/zinc/31/77/70/442317770.db2.gz ZNBPFKHHUIOILO-INIZCTEOSA-N 2 2 334.489 1.163 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCSC1 ZINC000154035340 442317773 /nfs/dbraw/zinc/31/77/73/442317773.db2.gz ZNBPFKHHUIOILO-INIZCTEOSA-N 2 2 334.489 1.163 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000154930093 442365493 /nfs/dbraw/zinc/36/54/93/442365493.db2.gz QHCKNSSPSYUTBU-IBGZPJMESA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000154930093 442365496 /nfs/dbraw/zinc/36/54/96/442365496.db2.gz QHCKNSSPSYUTBU-IBGZPJMESA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000171644824 442366127 /nfs/dbraw/zinc/36/61/27/442366127.db2.gz QBJFFHPUFZCONP-LSDHHAIUSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000154995789 442369217 /nfs/dbraw/zinc/36/92/17/442369217.db2.gz MNEWGASWBQPEQX-ZACQAIPSSA-N 2 2 336.480 1.865 20 0 EDADLP CCO[C@H](C)c1noc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000131496671 442373217 /nfs/dbraw/zinc/37/32/17/442373217.db2.gz ASLRTCFFRTVNFE-CQSZACIVSA-N 2 2 334.424 1.181 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCOC(C)(C)C3)CC[C@H]21 ZINC000178049196 442404303 /nfs/dbraw/zinc/40/43/03/442404303.db2.gz MKYDCMYSINDKQQ-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCOC(C)(C)C3)CC[C@H]21 ZINC000178049196 442404305 /nfs/dbraw/zinc/40/43/05/442404305.db2.gz MKYDCMYSINDKQQ-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC[C@H]21 ZINC000178049196 442404307 /nfs/dbraw/zinc/40/43/07/442404307.db2.gz MKYDCMYSINDKQQ-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC[C@H]21 ZINC000178049196 442404310 /nfs/dbraw/zinc/40/43/10/442404310.db2.gz MKYDCMYSINDKQQ-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000171982279 442395976 /nfs/dbraw/zinc/39/59/76/442395976.db2.gz GZWXRGWZEXCHPE-MJGOQNOKSA-N 2 2 346.519 1.679 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000171982279 442395978 /nfs/dbraw/zinc/39/59/78/442395978.db2.gz GZWXRGWZEXCHPE-MJGOQNOKSA-N 2 2 346.519 1.679 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CCCC[NH+]1CCOCC1)C2 ZINC000172003267 442397843 /nfs/dbraw/zinc/39/78/43/442397843.db2.gz XOJHAAQGPJRDIQ-UHFFFAOYSA-N 2 2 348.491 1.931 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000178332980 442425131 /nfs/dbraw/zinc/42/51/31/442425131.db2.gz JLUBBMNAOZYQNN-MAUKXSAKSA-N 2 2 344.463 1.670 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000178332980 442425132 /nfs/dbraw/zinc/42/51/32/442425132.db2.gz JLUBBMNAOZYQNN-MAUKXSAKSA-N 2 2 344.463 1.670 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172307867 442440811 /nfs/dbraw/zinc/44/08/11/442440811.db2.gz OOFBKCZGYLXGGE-CQSZACIVSA-N 2 2 330.432 1.388 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178672948 442454718 /nfs/dbraw/zinc/45/47/18/442454718.db2.gz NDLFAHULQVLRSE-INIZCTEOSA-N 3 2 341.459 1.687 20 0 EDADLP CC(C)([NH3+])CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000178733558 442467690 /nfs/dbraw/zinc/46/76/90/442467690.db2.gz CTOVTZDLLUAYAT-UHFFFAOYSA-N 2 2 335.448 1.141 20 0 EDADLP CCCC[C@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)C(=O)Nc1cc(C)on1 ZINC000179008147 442551749 /nfs/dbraw/zinc/55/17/49/442551749.db2.gz IBHJCMCVZGHDCO-CABCVRRESA-N 2 2 335.452 1.070 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000172978414 442576407 /nfs/dbraw/zinc/57/64/07/442576407.db2.gz HIFIFSGKCJDMCT-MRXNPFEDSA-N 2 2 327.513 1.827 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000157381725 442577612 /nfs/dbraw/zinc/57/76/12/442577612.db2.gz YKYXXTIHNYALGU-SJORKVTESA-N 2 2 331.460 1.206 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)C2)CC1 ZINC000157381725 442577618 /nfs/dbraw/zinc/57/76/18/442577618.db2.gz YKYXXTIHNYALGU-SJORKVTESA-N 2 2 331.460 1.206 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000192179024 442608967 /nfs/dbraw/zinc/60/89/67/442608967.db2.gz DFFWKWSLRWHESB-GOSISDBHSA-N 2 2 342.443 1.941 20 0 EDADLP CCOC(=O)C1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000179231766 442602895 /nfs/dbraw/zinc/60/28/95/442602895.db2.gz LLWYOYPJFNEFST-XYPWUTKMSA-N 2 2 349.475 1.099 20 0 EDADLP CCOC(=O)C1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000179231766 442602899 /nfs/dbraw/zinc/60/28/99/442602899.db2.gz LLWYOYPJFNEFST-XYPWUTKMSA-N 2 2 349.475 1.099 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000186978019 442640096 /nfs/dbraw/zinc/64/00/96/442640096.db2.gz YBDAWYDKKGRHDJ-LSDHHAIUSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000186978019 442640099 /nfs/dbraw/zinc/64/00/99/442640099.db2.gz YBDAWYDKKGRHDJ-LSDHHAIUSA-N 2 2 328.416 1.399 20 0 EDADLP COC(=O)C1CCC([NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000192446202 442647053 /nfs/dbraw/zinc/64/70/53/442647053.db2.gz ZXUTYHHHKXQCRN-WZOJCFFYSA-N 2 2 346.471 1.943 20 0 EDADLP COC(=O)C1CCC([NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000192446202 442647054 /nfs/dbraw/zinc/64/70/54/442647054.db2.gz ZXUTYHHHKXQCRN-WZOJCFFYSA-N 2 2 346.471 1.943 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181083067 442679654 /nfs/dbraw/zinc/67/96/54/442679654.db2.gz LAEAIHJYEFYXOV-QGZVFWFLSA-N 2 2 331.416 1.848 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181083067 442679657 /nfs/dbraw/zinc/67/96/57/442679657.db2.gz LAEAIHJYEFYXOV-QGZVFWFLSA-N 2 2 331.416 1.848 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C1 ZINC000187983642 442701893 /nfs/dbraw/zinc/70/18/93/442701893.db2.gz XZVVNUIHEMNYBB-ZWKOTPCHSA-N 2 2 346.475 1.215 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000187983642 442701896 /nfs/dbraw/zinc/70/18/96/442701896.db2.gz XZVVNUIHEMNYBB-ZWKOTPCHSA-N 2 2 346.475 1.215 20 0 EDADLP C[N@H+](CCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1)Cc1ccccc1 ZINC000187313139 442669262 /nfs/dbraw/zinc/66/92/62/442669262.db2.gz MYVGTTWULSYVEV-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP C[N@@H+](CCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1)Cc1ccccc1 ZINC000187313139 442669264 /nfs/dbraw/zinc/66/92/64/442669264.db2.gz MYVGTTWULSYVEV-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)Cc1ccccc1 ZINC000187313139 442669265 /nfs/dbraw/zinc/66/92/65/442669265.db2.gz MYVGTTWULSYVEV-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)Cc1ccccc1 ZINC000187313139 442669267 /nfs/dbraw/zinc/66/92/67/442669267.db2.gz MYVGTTWULSYVEV-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(CC[N@H+](C)Cc3ccc(F)cc3)C2)CC1 ZINC000181695311 442710723 /nfs/dbraw/zinc/71/07/23/442710723.db2.gz WFCLGPWPXBDMMY-FQEVSTJZSA-N 2 2 348.510 1.969 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(CC[N@@H+](C)Cc3ccc(F)cc3)C2)CC1 ZINC000181695311 442710726 /nfs/dbraw/zinc/71/07/26/442710726.db2.gz WFCLGPWPXBDMMY-FQEVSTJZSA-N 2 2 348.510 1.969 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3c[nH+]ccc3N)c2)CCO1 ZINC000188127432 442714572 /nfs/dbraw/zinc/71/45/72/442714572.db2.gz UJCWFUGLYGKYFZ-CQSZACIVSA-N 2 2 340.427 1.815 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3c[nH+]ccc3N)c2)CCO1 ZINC000188127432 442714574 /nfs/dbraw/zinc/71/45/74/442714574.db2.gz UJCWFUGLYGKYFZ-CQSZACIVSA-N 2 2 340.427 1.815 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246691655 442803347 /nfs/dbraw/zinc/80/33/47/442803347.db2.gz WTKABPYSDCVOBT-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246691655 442803349 /nfs/dbraw/zinc/80/33/49/442803349.db2.gz WTKABPYSDCVOBT-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193654150 442764356 /nfs/dbraw/zinc/76/43/56/442764356.db2.gz VQXCPORWRVHTQR-OKILXGFUSA-N 2 2 337.851 1.458 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193654150 442764359 /nfs/dbraw/zinc/76/43/59/442764359.db2.gz VQXCPORWRVHTQR-OKILXGFUSA-N 2 2 337.851 1.458 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193654150 442764361 /nfs/dbraw/zinc/76/43/61/442764361.db2.gz VQXCPORWRVHTQR-OKILXGFUSA-N 2 2 337.851 1.458 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193654150 442764365 /nfs/dbraw/zinc/76/43/65/442764365.db2.gz VQXCPORWRVHTQR-OKILXGFUSA-N 2 2 337.851 1.458 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000267874451 442774849 /nfs/dbraw/zinc/77/48/49/442774849.db2.gz LPHCCAIYHNKOHB-UHFFFAOYSA-N 2 2 341.459 1.855 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000246418145 442781040 /nfs/dbraw/zinc/78/10/40/442781040.db2.gz LMPDAKQFGDRCGE-OAGGEKHMSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000246418145 442781042 /nfs/dbraw/zinc/78/10/42/442781042.db2.gz LMPDAKQFGDRCGE-OAGGEKHMSA-N 2 2 326.485 1.079 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000265521421 442807528 /nfs/dbraw/zinc/80/75/28/442807528.db2.gz HYULKKWSHYSPND-CQSZACIVSA-N 2 2 331.420 1.163 20 0 EDADLP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000193951482 442818303 /nfs/dbraw/zinc/81/83/03/442818303.db2.gz DPRQBJOHTFLAEZ-UHFFFAOYSA-N 2 2 330.432 1.125 20 0 EDADLP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000193951482 442818306 /nfs/dbraw/zinc/81/83/06/442818306.db2.gz DPRQBJOHTFLAEZ-UHFFFAOYSA-N 2 2 330.432 1.125 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCN(C)C(=O)C3(C)C)c2cc1C ZINC000268026023 442821847 /nfs/dbraw/zinc/82/18/47/442821847.db2.gz KPDFQKMTDSZLNO-HNNXBMFYSA-N 2 2 344.459 1.567 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCN(C)C(=O)C3(C)C)c2cc1C ZINC000268026023 442821850 /nfs/dbraw/zinc/82/18/50/442821850.db2.gz KPDFQKMTDSZLNO-HNNXBMFYSA-N 2 2 344.459 1.567 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C)C(=O)OC ZINC000247007817 442828000 /nfs/dbraw/zinc/82/80/00/442828000.db2.gz LKRGLVOONNHTJA-IVSAIRAKSA-N 2 2 341.496 1.352 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C)C(=O)OC ZINC000247007817 442828003 /nfs/dbraw/zinc/82/80/03/442828003.db2.gz LKRGLVOONNHTJA-IVSAIRAKSA-N 2 2 341.496 1.352 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C)C(=O)OC ZINC000247007817 442828006 /nfs/dbraw/zinc/82/80/06/442828006.db2.gz LKRGLVOONNHTJA-IVSAIRAKSA-N 2 2 341.496 1.352 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)OC ZINC000247007817 442828009 /nfs/dbraw/zinc/82/80/09/442828009.db2.gz LKRGLVOONNHTJA-IVSAIRAKSA-N 2 2 341.496 1.352 20 0 EDADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000182943515 442852010 /nfs/dbraw/zinc/85/20/10/442852010.db2.gz PWFPKRWPLGMULW-HNNXBMFYSA-N 2 2 325.497 1.772 20 0 EDADLP Cc1cccc([C@H](CNC(=O)/C=C/C[NH+](C)C)[NH+]2CCOCC2)c1 ZINC000265616647 442847695 /nfs/dbraw/zinc/84/76/95/442847695.db2.gz GOHIDIQXJMYDQV-MOTZXUDYSA-N 2 2 331.460 1.602 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)cn2c1 ZINC000268154124 442873252 /nfs/dbraw/zinc/87/32/52/442873252.db2.gz VIXHSVGIGNTAIS-CZUORRHYSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cn2c1 ZINC000268154124 442873257 /nfs/dbraw/zinc/87/32/57/442873257.db2.gz VIXHSVGIGNTAIS-CZUORRHYSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1cccc(OCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175548033 318439081 /nfs/dbraw/zinc/43/90/81/318439081.db2.gz ZSRWLERVXDSCAA-UHFFFAOYSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000194160653 442854783 /nfs/dbraw/zinc/85/47/83/442854783.db2.gz OMRAGCAETBUYQI-INIZCTEOSA-N 2 2 346.475 1.443 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)c1ccccc1 ZINC000265745170 442904122 /nfs/dbraw/zinc/90/41/22/442904122.db2.gz HGHSRRCIRUDXCB-QGZVFWFLSA-N 2 2 341.459 1.762 20 0 EDADLP C[C@@H](c1cnn(C)c1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249365069 442968746 /nfs/dbraw/zinc/96/87/46/442968746.db2.gz UPDGKUBYDUUNDZ-MAUKXSAKSA-N 2 2 343.475 1.832 20 0 EDADLP C[C@@H](c1cnn(C)c1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249365069 442968749 /nfs/dbraw/zinc/96/87/49/442968749.db2.gz UPDGKUBYDUUNDZ-MAUKXSAKSA-N 2 2 343.475 1.832 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)cc[nH+]1 ZINC000184929273 443099697 /nfs/dbraw/zinc/09/96/97/443099697.db2.gz PUFRPEVWVPABPN-OAHLLOKOSA-N 2 2 346.479 1.349 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CC2)cc[nH+]1 ZINC000184929273 443099700 /nfs/dbraw/zinc/09/97/00/443099700.db2.gz PUFRPEVWVPABPN-OAHLLOKOSA-N 2 2 346.479 1.349 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000268870444 443132219 /nfs/dbraw/zinc/13/22/19/443132219.db2.gz UHUJEIXFHUHNAH-DCGLDWPTSA-N 2 2 337.489 1.728 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000268870444 443132222 /nfs/dbraw/zinc/13/22/22/443132222.db2.gz UHUJEIXFHUHNAH-DCGLDWPTSA-N 2 2 337.489 1.728 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)cc[nH+]1 ZINC000184934251 443102280 /nfs/dbraw/zinc/10/22/80/443102280.db2.gz YFNBHRIFQBLRDJ-HNNXBMFYSA-N 2 2 331.464 1.698 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000268774337 443104279 /nfs/dbraw/zinc/10/42/79/443104279.db2.gz UXXGJPPJVSNGQM-KBAYOESNSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000268774337 443104284 /nfs/dbraw/zinc/10/42/84/443104284.db2.gz UXXGJPPJVSNGQM-KBAYOESNSA-N 2 2 336.501 1.921 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255673979 443106937 /nfs/dbraw/zinc/10/69/37/443106937.db2.gz IYAKPCCNDCSMDV-IMXKFXGHSA-N 2 2 326.400 1.332 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255673979 443106942 /nfs/dbraw/zinc/10/69/42/443106942.db2.gz IYAKPCCNDCSMDV-IMXKFXGHSA-N 2 2 326.400 1.332 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[NH+](CCO)CC2)c1 ZINC000268786678 443108052 /nfs/dbraw/zinc/10/80/52/443108052.db2.gz ZUQTWHZLAJQTAE-UHFFFAOYSA-N 2 2 329.404 1.229 20 0 EDADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000298538894 318822336 /nfs/dbraw/zinc/82/23/36/318822336.db2.gz BDMLVHUNASLFFU-KBPBESRZSA-N 2 2 333.436 1.016 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000299494904 318908274 /nfs/dbraw/zinc/90/82/74/318908274.db2.gz KMOWKXSYFPZFKW-OAHLLOKOSA-N 2 2 348.447 1.655 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc12 ZINC000261468055 443160331 /nfs/dbraw/zinc/16/03/31/443160331.db2.gz WGODOJOEDXJKDX-KRWDZBQOSA-N 2 2 342.491 1.489 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc12 ZINC000261468055 443160334 /nfs/dbraw/zinc/16/03/34/443160334.db2.gz WGODOJOEDXJKDX-KRWDZBQOSA-N 2 2 342.491 1.489 20 0 EDADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)OCCO2 ZINC000268970696 443162755 /nfs/dbraw/zinc/16/27/55/443162755.db2.gz ZIHOSYQYYGVUCH-CVEARBPZSA-N 2 2 347.459 1.838 20 0 EDADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)OCCO2 ZINC000268970696 443162757 /nfs/dbraw/zinc/16/27/57/443162757.db2.gz ZIHOSYQYYGVUCH-CVEARBPZSA-N 2 2 347.459 1.838 20 0 EDADLP [NH3+]CCc1ccccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000326899478 318945909 /nfs/dbraw/zinc/94/59/09/318945909.db2.gz CCQHFTDDZTUPPX-UHFFFAOYSA-N 2 2 340.427 1.349 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000269207267 443233141 /nfs/dbraw/zinc/23/31/41/443233141.db2.gz MNHGENDUMOGOKC-GOEBONIOSA-N 2 2 348.834 1.658 20 0 EDADLP CCn1cc(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)cn1 ZINC000269214261 443235578 /nfs/dbraw/zinc/23/55/78/443235578.db2.gz CRPMKJDYUGONKY-KRWDZBQOSA-N 2 2 338.415 1.656 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245610402 443240456 /nfs/dbraw/zinc/24/04/56/443240456.db2.gz BJRXQLVITBYPCV-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245610402 443240458 /nfs/dbraw/zinc/24/04/58/443240458.db2.gz BJRXQLVITBYPCV-NXHRZFHOSA-N 2 2 346.475 1.452 20 0 EDADLP CO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245682321 443243895 /nfs/dbraw/zinc/24/38/95/443243895.db2.gz HSDJTDKVVGDYFT-DJIMGWMZSA-N 2 2 325.497 1.817 20 0 EDADLP CO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245682321 443243897 /nfs/dbraw/zinc/24/38/97/443243897.db2.gz HSDJTDKVVGDYFT-DJIMGWMZSA-N 2 2 325.497 1.817 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1F ZINC000269244166 443248907 /nfs/dbraw/zinc/24/89/07/443248907.db2.gz SKWZJESWHCEGNH-CXAGYDPISA-N 2 2 346.406 1.533 20 0 EDADLP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000397037712 319133475 /nfs/dbraw/zinc/13/34/75/319133475.db2.gz OXIYKCMYLPOVBK-UHFFFAOYSA-N 2 2 332.231 1.718 20 0 EDADLP CC[C@@H](C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1)[NH+](C)C ZINC000413070517 319262429 /nfs/dbraw/zinc/26/24/29/319262429.db2.gz ZWRZYZYQCHLYDD-MSOLQXFVSA-N 2 2 333.476 1.825 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000413968263 319307769 /nfs/dbraw/zinc/30/77/69/319307769.db2.gz SJEXBTFELJWXPG-MRXNPFEDSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000413968263 319307772 /nfs/dbraw/zinc/30/77/72/319307772.db2.gz SJEXBTFELJWXPG-MRXNPFEDSA-N 2 2 333.476 1.734 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@H](C)C1 ZINC000414262824 319323174 /nfs/dbraw/zinc/32/31/74/319323174.db2.gz OOVLYWHLANKEON-CVEARBPZSA-N 2 2 348.553 1.926 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)[C@H](C)C1 ZINC000414262824 319323177 /nfs/dbraw/zinc/32/31/77/319323177.db2.gz OOVLYWHLANKEON-CVEARBPZSA-N 2 2 348.553 1.926 20 0 EDADLP C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000269277168 443263461 /nfs/dbraw/zinc/26/34/61/443263461.db2.gz XRZSYPPAXVAGNA-RHSMWYFYSA-N 2 2 328.416 1.818 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000416890139 319469846 /nfs/dbraw/zinc/46/98/46/319469846.db2.gz SBNUYPBBCYENRV-MSOLQXFVSA-N 2 2 346.475 1.405 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416939985 319479950 /nfs/dbraw/zinc/47/99/50/319479950.db2.gz OEKWPIOWJJZPFB-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000264568496 443329409 /nfs/dbraw/zinc/32/94/09/443329409.db2.gz HGUWQKQEZPXQKW-SFHVURJKSA-N 2 2 333.476 1.860 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000264689553 443375589 /nfs/dbraw/zinc/37/55/89/443375589.db2.gz GVNCPFBPAZWUOF-MOPGFXCFSA-N 2 2 335.467 1.961 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000264689553 443375595 /nfs/dbraw/zinc/37/55/95/443375595.db2.gz GVNCPFBPAZWUOF-MOPGFXCFSA-N 2 2 335.467 1.961 20 0 EDADLP CNC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278714511 443410530 /nfs/dbraw/zinc/41/05/30/443410530.db2.gz UQRYFYQKCBYXKS-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP CNC(=O)[C@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278714511 443410534 /nfs/dbraw/zinc/41/05/34/443410534.db2.gz UQRYFYQKCBYXKS-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP CNC(=O)[C@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278714511 443410538 /nfs/dbraw/zinc/41/05/38/443410538.db2.gz UQRYFYQKCBYXKS-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP CNC(=O)[C@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278714511 443410542 /nfs/dbraw/zinc/41/05/42/443410542.db2.gz UQRYFYQKCBYXKS-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c2c([nH+]1)CCCC2 ZINC000272836220 443461964 /nfs/dbraw/zinc/46/19/64/443461964.db2.gz HSDLHMBBFNRSSQ-KRWDZBQOSA-N 2 2 343.475 1.407 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c2c([nH+]1)CCCC2 ZINC000272836220 443461970 /nfs/dbraw/zinc/46/19/70/443461970.db2.gz HSDLHMBBFNRSSQ-KRWDZBQOSA-N 2 2 343.475 1.407 20 0 EDADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000422956939 319742009 /nfs/dbraw/zinc/74/20/09/319742009.db2.gz ROOQVUSEIIJKKE-ZBFHGGJFSA-N 2 2 339.386 1.051 20 0 EDADLP CCNC(=O)[C@@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000271272375 443499010 /nfs/dbraw/zinc/49/90/10/443499010.db2.gz NTQKFDOEGGKUCK-CYBMUJFWSA-N 2 2 338.883 1.706 20 0 EDADLP CC(C)[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH+]1CCOCC1 ZINC000271346945 443502041 /nfs/dbraw/zinc/50/20/41/443502041.db2.gz VHDZUHCXXAWHPU-QGZVFWFLSA-N 2 2 343.431 1.354 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000423307372 319763051 /nfs/dbraw/zinc/76/30/51/319763051.db2.gz VUCZYDQBWZFNLQ-GOSISDBHSA-N 2 2 328.416 1.174 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000423735009 319808576 /nfs/dbraw/zinc/80/85/76/319808576.db2.gz BSCDUWBJPDMCOW-RDTXWAMCSA-N 2 2 349.450 1.785 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC2)c1 ZINC000423817761 319816217 /nfs/dbraw/zinc/81/62/17/319816217.db2.gz ZLPJYTMJQRNIOO-HUUCEWRRSA-N 2 2 335.448 1.202 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000267774889 443573567 /nfs/dbraw/zinc/57/35/67/443573567.db2.gz XSGPOBBLDQOGFB-OAHLLOKOSA-N 2 2 328.420 1.790 20 0 EDADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000283282485 443587814 /nfs/dbraw/zinc/58/78/14/443587814.db2.gz SKUQEVPQENRFKD-INIZCTEOSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000283282485 443587817 /nfs/dbraw/zinc/58/78/17/443587817.db2.gz SKUQEVPQENRFKD-INIZCTEOSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2)n1cccn1 ZINC000275721626 443639514 /nfs/dbraw/zinc/63/95/14/443639514.db2.gz ORTNQLNPZGJERD-CABCVRRESA-N 2 2 342.447 1.349 20 0 EDADLP C[C@]1(O)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000279945458 443647020 /nfs/dbraw/zinc/64/70/20/443647020.db2.gz GKTASSYDCYDSOU-FQEVSTJZSA-N 2 2 345.487 1.568 20 0 EDADLP C[C@]1(O)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000279945458 443647022 /nfs/dbraw/zinc/64/70/22/443647022.db2.gz GKTASSYDCYDSOU-FQEVSTJZSA-N 2 2 345.487 1.568 20 0 EDADLP COC[C@@H]1C[NH+](C/C=C\C[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439273668 320044052 /nfs/dbraw/zinc/04/40/52/320044052.db2.gz KRTOBNNGLXEVGS-BJMLIQPHSA-N 2 2 342.480 1.014 20 0 EDADLP COC[C@@H]1C[NH+](C/C=C\C[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439273668 320044053 /nfs/dbraw/zinc/04/40/53/320044053.db2.gz KRTOBNNGLXEVGS-BJMLIQPHSA-N 2 2 342.480 1.014 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449376129 320185475 /nfs/dbraw/zinc/18/54/75/320185475.db2.gz KTIGHGLATJDVKA-RISCZKNCSA-N 2 2 340.265 1.683 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449376129 320185477 /nfs/dbraw/zinc/18/54/77/320185477.db2.gz KTIGHGLATJDVKA-RISCZKNCSA-N 2 2 340.265 1.683 20 0 EDADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cccn3C)C2)CC1 ZINC000449493816 320192702 /nfs/dbraw/zinc/19/27/02/320192702.db2.gz FNTBZWBSAIVXGY-GOSISDBHSA-N 2 2 332.492 1.791 20 0 EDADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cccn3C)C2)CC1 ZINC000449493816 320192703 /nfs/dbraw/zinc/19/27/03/320192703.db2.gz FNTBZWBSAIVXGY-GOSISDBHSA-N 2 2 332.492 1.791 20 0 EDADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cccn3C)C2)CC1 ZINC000449493816 320192705 /nfs/dbraw/zinc/19/27/05/320192705.db2.gz FNTBZWBSAIVXGY-GOSISDBHSA-N 2 2 332.492 1.791 20 0 EDADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cccn3C)C2)CC1 ZINC000449493816 320192707 /nfs/dbraw/zinc/19/27/07/320192707.db2.gz FNTBZWBSAIVXGY-GOSISDBHSA-N 2 2 332.492 1.791 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000283613398 443673313 /nfs/dbraw/zinc/67/33/13/443673313.db2.gz AEDGVRYZOYHPMH-AWEZNQCLSA-N 2 2 329.404 1.520 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000455326303 320300467 /nfs/dbraw/zinc/30/04/67/320300467.db2.gz VYWRJWXTCLWOOB-KBPBESRZSA-N 2 2 337.468 1.590 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1)[NH+](C)C ZINC000455443418 320303094 /nfs/dbraw/zinc/30/30/94/320303094.db2.gz QAGQZNWIWUUIEO-SWLSCSKDSA-N 2 2 333.411 1.898 20 0 EDADLP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493681569 320397194 /nfs/dbraw/zinc/39/71/94/320397194.db2.gz ZMZRAASJDURCPO-HSBSLETESA-N 2 2 330.388 1.363 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C(N)=O ZINC000286319118 443690277 /nfs/dbraw/zinc/69/02/77/443690277.db2.gz VSOLDSFWVLXHRD-KBAYOESNSA-N 2 2 331.460 1.331 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C(N)=O ZINC000286319118 443690278 /nfs/dbraw/zinc/69/02/78/443690278.db2.gz VSOLDSFWVLXHRD-KBAYOESNSA-N 2 2 331.460 1.331 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C(N)=O ZINC000286319118 443690279 /nfs/dbraw/zinc/69/02/79/443690279.db2.gz VSOLDSFWVLXHRD-KBAYOESNSA-N 2 2 331.460 1.331 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C(N)=O ZINC000286319118 443690280 /nfs/dbraw/zinc/69/02/80/443690280.db2.gz VSOLDSFWVLXHRD-KBAYOESNSA-N 2 2 331.460 1.331 20 0 EDADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(C)(CO)CO ZINC000286274314 443681510 /nfs/dbraw/zinc/68/15/10/443681510.db2.gz FFBICWLSDBCUSW-UHFFFAOYSA-N 2 2 335.492 1.121 20 0 EDADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(C)(CO)CO ZINC000286274314 443681512 /nfs/dbraw/zinc/68/15/12/443681512.db2.gz FFBICWLSDBCUSW-UHFFFAOYSA-N 2 2 335.492 1.121 20 0 EDADLP CO[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000625520189 450406276 /nfs/dbraw/zinc/40/62/76/450406276.db2.gz UXMUTTGSOIZEKD-SJLPKXTDSA-N 2 2 349.450 1.798 20 0 EDADLP CO[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000625520189 450406280 /nfs/dbraw/zinc/40/62/80/450406280.db2.gz UXMUTTGSOIZEKD-SJLPKXTDSA-N 2 2 349.450 1.798 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000283784402 443717931 /nfs/dbraw/zinc/71/79/31/443717931.db2.gz FVRIVWGMHNYJFL-JKSUJKDBSA-N 2 2 349.479 1.159 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000283784402 443717938 /nfs/dbraw/zinc/71/79/38/443717938.db2.gz FVRIVWGMHNYJFL-JKSUJKDBSA-N 2 2 349.479 1.159 20 0 EDADLP Cc1cccc(C[N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1C ZINC000298406592 443762785 /nfs/dbraw/zinc/76/27/85/443762785.db2.gz WUJQYHCFULUFGY-UHFFFAOYSA-N 2 2 347.503 1.962 20 0 EDADLP Cc1cccc(C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1C ZINC000298406592 443762790 /nfs/dbraw/zinc/76/27/90/443762790.db2.gz WUJQYHCFULUFGY-UHFFFAOYSA-N 2 2 347.503 1.962 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000280877782 443765349 /nfs/dbraw/zinc/76/53/49/443765349.db2.gz BZACOFNHLOUTIX-UHFFFAOYSA-N 2 2 342.447 1.895 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(F)cn3)cc2)CC1 ZINC000529533996 320583146 /nfs/dbraw/zinc/58/31/46/320583146.db2.gz NLWISLZAYXKCNU-UHFFFAOYSA-N 2 2 342.418 1.898 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000298669054 443833633 /nfs/dbraw/zinc/83/36/33/443833633.db2.gz IHBFHUDNDDWSAG-RDJZCZTQSA-N 2 2 327.432 1.970 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000298669054 443833638 /nfs/dbraw/zinc/83/36/38/443833638.db2.gz IHBFHUDNDDWSAG-RDJZCZTQSA-N 2 2 327.432 1.970 20 0 EDADLP COc1cccc(OC)c1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000285376247 443960395 /nfs/dbraw/zinc/96/03/95/443960395.db2.gz GJKOZNLCPFKEJG-MRXNPFEDSA-N 2 2 349.475 1.736 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc2c(c1)CCO2 ZINC000299100212 443955019 /nfs/dbraw/zinc/95/50/19/443955019.db2.gz ORYNAPMSBROBEC-UHFFFAOYSA-N 2 2 345.487 1.648 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc2c(c1)CCO2 ZINC000299100212 443955021 /nfs/dbraw/zinc/95/50/21/443955021.db2.gz ORYNAPMSBROBEC-UHFFFAOYSA-N 2 2 345.487 1.648 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285370961 443959473 /nfs/dbraw/zinc/95/94/73/443959473.db2.gz AWDQFJRPVYHHIL-KXBFYZLASA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285370961 443959475 /nfs/dbraw/zinc/95/94/75/443959475.db2.gz AWDQFJRPVYHHIL-KXBFYZLASA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285370961 443959477 /nfs/dbraw/zinc/95/94/77/443959477.db2.gz AWDQFJRPVYHHIL-KXBFYZLASA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285370961 443959481 /nfs/dbraw/zinc/95/94/81/443959481.db2.gz AWDQFJRPVYHHIL-KXBFYZLASA-N 2 2 344.459 1.429 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(C)[nH+]1 ZINC000293505272 444036909 /nfs/dbraw/zinc/03/69/09/444036909.db2.gz WMEFOHWRCJBWFM-ZDUSSCGKSA-N 2 2 344.459 1.970 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(C)[nH+]1 ZINC000293505272 444036911 /nfs/dbraw/zinc/03/69/11/444036911.db2.gz WMEFOHWRCJBWFM-ZDUSSCGKSA-N 2 2 344.459 1.970 20 0 EDADLP c1ncn(CC[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)n1 ZINC000289032552 444038139 /nfs/dbraw/zinc/03/81/39/444038139.db2.gz BBFOIVTXCRGCCS-HNNXBMFYSA-N 2 2 328.420 1.427 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)C[N@@H+]1C1CC1 ZINC000285589892 444040151 /nfs/dbraw/zinc/04/01/51/444040151.db2.gz UMNYKPBZKAXZOI-KGLIPLIRSA-N 2 2 327.428 1.888 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)C[N@H+]1C1CC1 ZINC000285589892 444040156 /nfs/dbraw/zinc/04/01/56/444040156.db2.gz UMNYKPBZKAXZOI-KGLIPLIRSA-N 2 2 327.428 1.888 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nccn1-c1ccccc1 ZINC000277828151 444046750 /nfs/dbraw/zinc/04/67/50/444046750.db2.gz WAKAUMFXJJQDJM-UHFFFAOYSA-N 2 2 327.476 1.942 20 0 EDADLP COC(=O)c1cc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)oc1C ZINC000554887693 320959865 /nfs/dbraw/zinc/95/98/65/320959865.db2.gz OMMMRMBTDMPIQU-UHFFFAOYSA-N 2 2 347.415 2.000 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000560446353 321028224 /nfs/dbraw/zinc/02/82/24/321028224.db2.gz LDESCIZPSWNYOV-AWEZNQCLSA-N 2 2 335.439 1.173 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000561214895 321036417 /nfs/dbraw/zinc/03/64/17/321036417.db2.gz DYTFBIPDXUYSNN-QZTJIDSGSA-N 3 2 341.459 1.124 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000561214895 321036419 /nfs/dbraw/zinc/03/64/19/321036419.db2.gz DYTFBIPDXUYSNN-QZTJIDSGSA-N 3 2 341.459 1.124 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C2 ZINC000562163711 321047048 /nfs/dbraw/zinc/04/70/48/321047048.db2.gz ATFGORGDABPBSP-JQHSSLGASA-N 2 2 346.475 1.514 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)CCC2 ZINC000563248442 321103916 /nfs/dbraw/zinc/10/39/16/321103916.db2.gz APVIBQSNHXUSDP-GJZGRUSLSA-N 2 2 327.432 1.953 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000563603732 321111661 /nfs/dbraw/zinc/11/16/61/321111661.db2.gz OOLQOEZTVSJHIK-UHFFFAOYSA-N 2 2 344.459 1.442 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1snnc1C1CC1 ZINC000564512710 321135487 /nfs/dbraw/zinc/13/54/87/321135487.db2.gz UVJYFFUCBMSWTC-UHFFFAOYSA-N 2 2 337.493 1.514 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1snnc1C1CC1 ZINC000564512710 321135488 /nfs/dbraw/zinc/13/54/88/321135488.db2.gz UVJYFFUCBMSWTC-UHFFFAOYSA-N 2 2 337.493 1.514 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000564585205 321136566 /nfs/dbraw/zinc/13/65/66/321136566.db2.gz KKMKMAQHGBEAGR-ZDUSSCGKSA-N 2 2 331.420 1.240 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000564585205 321136567 /nfs/dbraw/zinc/13/65/67/321136567.db2.gz KKMKMAQHGBEAGR-ZDUSSCGKSA-N 2 2 331.420 1.240 20 0 EDADLP C[C@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)n1cc[nH+]c1 ZINC000565049484 321167125 /nfs/dbraw/zinc/16/71/25/321167125.db2.gz UQVRXEAWAYVALP-HRBLRVMOSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)n1cc[nH+]c1 ZINC000565049484 321167126 /nfs/dbraw/zinc/16/71/26/321167126.db2.gz UQVRXEAWAYVALP-HRBLRVMOSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)n1cc[nH+]c1 ZINC000565049484 321167127 /nfs/dbraw/zinc/16/71/27/321167127.db2.gz UQVRXEAWAYVALP-HRBLRVMOSA-N 3 2 345.491 1.604 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)n1cc[nH+]c1 ZINC000565049484 321167128 /nfs/dbraw/zinc/16/71/28/321167128.db2.gz UQVRXEAWAYVALP-HRBLRVMOSA-N 3 2 345.491 1.604 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[NH2+]C2CC2)[C@@H](C)C1 ZINC000566100958 321214811 /nfs/dbraw/zinc/21/48/11/321214811.db2.gz CNBOQPXVNYOGAJ-HNNXBMFYSA-N 2 2 331.460 1.870 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C[NH2+]C2CC2)[C@@H](C)C1 ZINC000566100958 321214813 /nfs/dbraw/zinc/21/48/13/321214813.db2.gz CNBOQPXVNYOGAJ-HNNXBMFYSA-N 2 2 331.460 1.870 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)ccn12 ZINC000566453306 321231638 /nfs/dbraw/zinc/23/16/38/321231638.db2.gz PDQLWRIKQLHYCC-UHFFFAOYSA-N 2 2 330.432 1.826 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)ccn12 ZINC000566453306 321231640 /nfs/dbraw/zinc/23/16/40/321231640.db2.gz PDQLWRIKQLHYCC-UHFFFAOYSA-N 2 2 330.432 1.826 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)[C@H](C[NH3+])C1 ZINC000567028998 321239524 /nfs/dbraw/zinc/23/95/24/321239524.db2.gz GVJAXMNXZDNBNO-OAHLLOKOSA-N 2 2 331.420 1.142 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(NC(=O)C3CC3)c2)[C@H](C[NH3+])C1 ZINC000567028998 321239526 /nfs/dbraw/zinc/23/95/26/321239526.db2.gz GVJAXMNXZDNBNO-OAHLLOKOSA-N 2 2 331.420 1.142 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](CCc3nc(-c4ccccc4)no3)C[C@H]2[NH3+])cn1 ZINC000567663205 321251978 /nfs/dbraw/zinc/25/19/78/321251978.db2.gz HIDUJJJPQXIGNK-JKSUJKDBSA-N 2 2 338.415 1.439 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](CCc3nc(-c4ccccc4)no3)C[C@H]2[NH3+])cn1 ZINC000567663205 321251981 /nfs/dbraw/zinc/25/19/81/321251981.db2.gz HIDUJJJPQXIGNK-JKSUJKDBSA-N 2 2 338.415 1.439 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]Cc2ccn3cc[nH+]c3c2)CC1 ZINC000567687912 321252378 /nfs/dbraw/zinc/25/23/78/321252378.db2.gz FTPULEJOOYPBRG-UHFFFAOYSA-N 2 2 331.416 1.908 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000567974035 321269824 /nfs/dbraw/zinc/26/98/24/321269824.db2.gz MMKKLGAEHRCAOV-QGZVFWFLSA-N 2 2 331.460 1.872 20 0 EDADLP O=c1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)nc2ccccn12 ZINC000568041644 321274354 /nfs/dbraw/zinc/27/43/54/321274354.db2.gz LZCVAAODKKPKFR-UHFFFAOYSA-N 2 2 349.438 1.844 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@H]3C)c2)CC1 ZINC000568391383 321289427 /nfs/dbraw/zinc/28/94/27/321289427.db2.gz XCXFRSUFJOGTFY-KSSFIOAISA-N 2 2 344.459 1.287 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@H](C[NH3+])C1 ZINC000568491195 321293601 /nfs/dbraw/zinc/29/36/01/321293601.db2.gz MTZUSFGKZNWPOZ-JTNHKYCSSA-N 2 2 340.830 1.619 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)[C@H](C[NH3+])C1 ZINC000568491195 321293603 /nfs/dbraw/zinc/29/36/03/321293603.db2.gz MTZUSFGKZNWPOZ-JTNHKYCSSA-N 2 2 340.830 1.619 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000570081883 321336972 /nfs/dbraw/zinc/33/69/72/321336972.db2.gz LMWBVQKXISPUDD-PQUAAJSLSA-N 2 2 342.480 1.171 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000570081883 321336974 /nfs/dbraw/zinc/33/69/74/321336974.db2.gz LMWBVQKXISPUDD-PQUAAJSLSA-N 2 2 342.480 1.171 20 0 EDADLP Cc1ccc(OCCC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000570508665 321343458 /nfs/dbraw/zinc/34/34/58/321343458.db2.gz FMBDDRQBJPTUJT-KSZLIROESA-N 2 2 336.476 1.824 20 0 EDADLP Cc1ccc(OCCC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000570508665 321343459 /nfs/dbraw/zinc/34/34/59/321343459.db2.gz FMBDDRQBJPTUJT-KSZLIROESA-N 2 2 336.476 1.824 20 0 EDADLP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000571223808 321378013 /nfs/dbraw/zinc/37/80/13/321378013.db2.gz JCZHXDFCICNTDN-OAHLLOKOSA-N 2 2 335.448 1.268 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278382694 444148158 /nfs/dbraw/zinc/14/81/58/444148158.db2.gz CYIUZWYDUXIUJV-MRXNPFEDSA-N 2 2 325.416 1.819 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000278382694 444148163 /nfs/dbraw/zinc/14/81/63/444148163.db2.gz CYIUZWYDUXIUJV-MRXNPFEDSA-N 2 2 325.416 1.819 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CC[N@@H+]4CCCC[C@H]4C3)nc[nH+]2)C1 ZINC000301232261 444156528 /nfs/dbraw/zinc/15/65/28/444156528.db2.gz JYUXEHWBGPXJFZ-HOTGVXAUSA-N 2 2 331.464 1.360 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CC[N@H+]4CCCC[C@H]4C3)nc[nH+]2)C1 ZINC000301232261 444156530 /nfs/dbraw/zinc/15/65/30/444156530.db2.gz JYUXEHWBGPXJFZ-HOTGVXAUSA-N 2 2 331.464 1.360 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNc2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000302631437 444218309 /nfs/dbraw/zinc/21/83/09/444218309.db2.gz GRHHGPIUEQOTSZ-HNNXBMFYSA-N 2 2 343.479 1.656 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNc2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000302631437 444218310 /nfs/dbraw/zinc/21/83/10/444218310.db2.gz GRHHGPIUEQOTSZ-HNNXBMFYSA-N 2 2 343.479 1.656 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000289582697 444176498 /nfs/dbraw/zinc/17/64/98/444176498.db2.gz HNEQFKPPNXRNFX-UHFFFAOYSA-N 2 2 345.422 1.358 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)CC[C@H]21 ZINC000301712260 444186648 /nfs/dbraw/zinc/18/66/48/444186648.db2.gz LAHCLOOHRYXZNZ-OWCLPIDISA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)CC[C@H]21 ZINC000301712260 444186649 /nfs/dbraw/zinc/18/66/49/444186649.db2.gz LAHCLOOHRYXZNZ-OWCLPIDISA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)CC[C@H]21 ZINC000301712260 444186650 /nfs/dbraw/zinc/18/66/50/444186650.db2.gz LAHCLOOHRYXZNZ-OWCLPIDISA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)CC[C@H]21 ZINC000301712260 444186652 /nfs/dbraw/zinc/18/66/52/444186652.db2.gz LAHCLOOHRYXZNZ-OWCLPIDISA-N 2 2 331.464 1.358 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000289661007 444187917 /nfs/dbraw/zinc/18/79/17/444187917.db2.gz YYEPAPLGAJMMGB-AWEZNQCLSA-N 2 2 345.365 1.840 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000289661007 444187919 /nfs/dbraw/zinc/18/79/19/444187919.db2.gz YYEPAPLGAJMMGB-AWEZNQCLSA-N 2 2 345.365 1.840 20 0 EDADLP NC(=O)c1c[nH+]ccc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000302048205 444202173 /nfs/dbraw/zinc/20/21/73/444202173.db2.gz VZMFOQSTPBLZMP-ZWKOTPCHSA-N 2 2 338.411 1.270 20 0 EDADLP NC(=O)c1c[nH+]ccc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000302048205 444202175 /nfs/dbraw/zinc/20/21/75/444202175.db2.gz VZMFOQSTPBLZMP-ZWKOTPCHSA-N 2 2 338.411 1.270 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000290125502 444245271 /nfs/dbraw/zinc/24/52/71/444245271.db2.gz UMBCCTKBCRFNNL-UHFFFAOYSA-N 2 2 335.433 1.244 20 0 EDADLP CSCC[C@H](CO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000577395716 321649449 /nfs/dbraw/zinc/64/94/49/321649449.db2.gz MRAREBTYPUXHGN-CABCVRRESA-N 2 2 337.489 1.718 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)C[C@@H](O)C(F)(F)F)c2cc1C ZINC000305762878 444278738 /nfs/dbraw/zinc/27/87/38/444278738.db2.gz FRJGVYGPVDQYIR-IUODEOHRSA-N 2 2 345.365 1.869 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)C[C@@H](O)C(F)(F)F)c2cc1C ZINC000305762878 444278739 /nfs/dbraw/zinc/27/87/39/444278739.db2.gz FRJGVYGPVDQYIR-IUODEOHRSA-N 2 2 345.365 1.869 20 0 EDADLP [NH3+]CCC[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1 ZINC000310031572 444290752 /nfs/dbraw/zinc/29/07/52/444290752.db2.gz UXKCKRRQOJYSIZ-UHFFFAOYSA-N 2 2 332.448 1.606 20 0 EDADLP [NH3+]CCC[N@@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1 ZINC000310031572 444290755 /nfs/dbraw/zinc/29/07/55/444290755.db2.gz UXKCKRRQOJYSIZ-UHFFFAOYSA-N 2 2 332.448 1.606 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000578080257 321719331 /nfs/dbraw/zinc/71/93/31/321719331.db2.gz RKIYYNUNYOQYJQ-OAHLLOKOSA-N 2 2 341.415 1.172 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000337697259 444359073 /nfs/dbraw/zinc/35/90/73/444359073.db2.gz UDLJVHAXEFGPQA-INIZCTEOSA-N 2 2 343.471 1.608 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000337697259 444359075 /nfs/dbraw/zinc/35/90/75/444359075.db2.gz UDLJVHAXEFGPQA-INIZCTEOSA-N 2 2 343.471 1.608 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000326106727 444373051 /nfs/dbraw/zinc/37/30/51/444373051.db2.gz ZDPPLHXQWYQBMQ-OAHLLOKOSA-N 2 2 332.448 1.314 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3nnc(CC4CC4)n3C)CC2)CC1 ZINC000337927437 444462193 /nfs/dbraw/zinc/46/21/93/444462193.db2.gz OXZSOVYLFDNZMD-UHFFFAOYSA-N 2 2 346.523 1.762 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C3CC3)[C@H]3C[NH2+]CCO3)[nH+]c2)C1 ZINC000580062659 322003160 /nfs/dbraw/zinc/00/31/60/322003160.db2.gz PAVVHWDVURWGFC-ZHALLVOQSA-N 3 2 345.491 1.401 20 0 EDADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(-n2cc(Cl)cn2)n1 ZINC000580066019 322004676 /nfs/dbraw/zinc/00/46/76/322004676.db2.gz IJLCDSYNZGIEHR-MRXNPFEDSA-N 2 2 349.866 1.774 20 0 EDADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c(-n2cc(Cl)cn2)n1 ZINC000580066019 322004677 /nfs/dbraw/zinc/00/46/77/322004677.db2.gz IJLCDSYNZGIEHR-MRXNPFEDSA-N 2 2 349.866 1.774 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000580211839 322024665 /nfs/dbraw/zinc/02/46/65/322024665.db2.gz MALJLNZPQJMLBU-JKSUJKDBSA-N 2 2 331.464 1.713 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](CO)CN3CCCC3)c2cc1C ZINC000580311271 322034942 /nfs/dbraw/zinc/03/49/42/322034942.db2.gz DCSQRZXLPYQJKE-IRXDYDNUSA-N 2 2 346.475 1.060 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)c2[nH+]ccn2C)c1 ZINC000580648970 322078106 /nfs/dbraw/zinc/07/81/06/322078106.db2.gz GZXAAKAROOWLBS-ZENOOKHLSA-N 2 2 344.415 1.380 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000581001232 322122468 /nfs/dbraw/zinc/12/24/68/322122468.db2.gz HNPUOOKLQPDZEV-BPQIPLTHSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000581001232 322122470 /nfs/dbraw/zinc/12/24/70/322122470.db2.gz HNPUOOKLQPDZEV-BPQIPLTHSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000581001232 322122472 /nfs/dbraw/zinc/12/24/72/322122472.db2.gz HNPUOOKLQPDZEV-BPQIPLTHSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000581001232 322122473 /nfs/dbraw/zinc/12/24/73/322122473.db2.gz HNPUOOKLQPDZEV-BPQIPLTHSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-n2cncn2)cc1Cl ZINC000581005965 322123519 /nfs/dbraw/zinc/12/35/19/322123519.db2.gz KKNOMLDMYNBSAX-JSGCOSHPSA-N 2 2 335.839 1.950 20 0 EDADLP CCOc1cccc(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000581127492 322139429 /nfs/dbraw/zinc/13/94/29/322139429.db2.gz WECSITMNBRZDNX-NUJGCVRESA-N 2 2 336.476 1.688 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)[nH+]c12 ZINC000581239488 322152721 /nfs/dbraw/zinc/15/27/21/322152721.db2.gz APDATJNYOQMTDA-GJZGRUSLSA-N 2 2 330.432 1.099 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)[nH+]c12 ZINC000581239488 322152723 /nfs/dbraw/zinc/15/27/23/322152723.db2.gz APDATJNYOQMTDA-GJZGRUSLSA-N 2 2 330.432 1.099 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000581309317 322162291 /nfs/dbraw/zinc/16/22/91/322162291.db2.gz KMFDMYSJOJDHSE-LLVKDONJSA-N 2 2 344.228 1.232 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2ccc(F)c(Br)c2)[C@H](C[NH3+])C1 ZINC000581309317 322162293 /nfs/dbraw/zinc/16/22/93/322162293.db2.gz KMFDMYSJOJDHSE-LLVKDONJSA-N 2 2 344.228 1.232 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000581488915 322183601 /nfs/dbraw/zinc/18/36/01/322183601.db2.gz DQXWSZMMVGMJIP-MOPGFXCFSA-N 2 2 344.455 1.605 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000581734624 322215622 /nfs/dbraw/zinc/21/56/22/322215622.db2.gz RKRDCAFUYHRQKQ-MRXNPFEDSA-N 2 2 327.513 1.845 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000340772082 444505430 /nfs/dbraw/zinc/50/54/30/444505430.db2.gz JODUICCGUJOTOK-HNNXBMFYSA-N 2 2 349.479 1.003 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[N@@H+](C(C)(C)C)CC3)nc[nH+]2)C1 ZINC000581930559 322234004 /nfs/dbraw/zinc/23/40/04/322234004.db2.gz GTLAGVUAFAVQNN-JKSUJKDBSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[N@H+](C(C)(C)C)CC3)nc[nH+]2)C1 ZINC000581930559 322234005 /nfs/dbraw/zinc/23/40/05/322234005.db2.gz GTLAGVUAFAVQNN-JKSUJKDBSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ncc(-c2ccccc2)o1 ZINC000581933051 322234571 /nfs/dbraw/zinc/23/45/71/322234571.db2.gz LDDVFIKTRNMPOA-DZGCQCFKSA-N 2 2 343.431 1.687 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ncc(-c2ccccc2)o1 ZINC000581933051 322234572 /nfs/dbraw/zinc/23/45/72/322234572.db2.gz LDDVFIKTRNMPOA-DZGCQCFKSA-N 2 2 343.431 1.687 20 0 EDADLP [NH3+]C1(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)CCC1 ZINC000342135146 444526838 /nfs/dbraw/zinc/52/68/38/444526838.db2.gz OCVKRZZPUQWKEI-UHFFFAOYSA-N 2 2 347.278 1.694 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCCS(=O)(=O)C1 ZINC000342154092 444537915 /nfs/dbraw/zinc/53/79/15/444537915.db2.gz CZDFIEFITCHESQ-HNNXBMFYSA-N 2 2 327.494 1.982 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCCS(=O)(=O)C1 ZINC000342154092 444537919 /nfs/dbraw/zinc/53/79/19/444537919.db2.gz CZDFIEFITCHESQ-HNNXBMFYSA-N 2 2 327.494 1.982 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343726306 444548907 /nfs/dbraw/zinc/54/89/07/444548907.db2.gz HFVHVFBQNRKPFW-DLBZAZTESA-N 2 2 338.540 1.782 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343726306 444548913 /nfs/dbraw/zinc/54/89/13/444548913.db2.gz HFVHVFBQNRKPFW-DLBZAZTESA-N 2 2 338.540 1.782 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000333005880 444627636 /nfs/dbraw/zinc/62/76/36/444627636.db2.gz MWMXGTIRDCVDKL-ZMSDIMECSA-N 2 2 349.479 1.814 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000333005880 444627641 /nfs/dbraw/zinc/62/76/41/444627641.db2.gz MWMXGTIRDCVDKL-ZMSDIMECSA-N 2 2 349.479 1.814 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC[N@@H+]1C ZINC000343797686 444598334 /nfs/dbraw/zinc/59/83/34/444598334.db2.gz LXTDXZRCVVESGP-ZBFHGGJFSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC[N@H+]1C ZINC000343797686 444598339 /nfs/dbraw/zinc/59/83/39/444598339.db2.gz LXTDXZRCVVESGP-ZBFHGGJFSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000343804005 444601994 /nfs/dbraw/zinc/60/19/94/444601994.db2.gz JXNDPDJHPOYNDK-OAHLLOKOSA-N 2 2 336.505 1.028 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000343804005 444601997 /nfs/dbraw/zinc/60/19/97/444601997.db2.gz JXNDPDJHPOYNDK-OAHLLOKOSA-N 2 2 336.505 1.028 20 0 EDADLP CCN(CC)CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000338272355 444603491 /nfs/dbraw/zinc/60/34/91/444603491.db2.gz ABXXWDFHDRYYNV-UHFFFAOYSA-N 2 2 326.529 1.450 20 0 EDADLP CCN(CC)CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000338272355 444603495 /nfs/dbraw/zinc/60/34/95/444603495.db2.gz ABXXWDFHDRYYNV-UHFFFAOYSA-N 2 2 326.529 1.450 20 0 EDADLP CC[NH+](CC)CCN(CCC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000338272355 444603498 /nfs/dbraw/zinc/60/34/98/444603498.db2.gz ABXXWDFHDRYYNV-UHFFFAOYSA-N 2 2 326.529 1.450 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343858439 444632420 /nfs/dbraw/zinc/63/24/20/444632420.db2.gz KEOZCQIUTIEHKV-VIFPVBQESA-N 2 2 336.383 1.587 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000332997144 444625318 /nfs/dbraw/zinc/62/53/18/444625318.db2.gz OXMNIDCLKBOIEB-VYDXJSESSA-N 2 2 349.479 1.671 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000332997144 444625322 /nfs/dbraw/zinc/62/53/22/444625322.db2.gz OXMNIDCLKBOIEB-VYDXJSESSA-N 2 2 349.479 1.671 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn2ccccc12 ZINC000342377846 444664819 /nfs/dbraw/zinc/66/48/19/444664819.db2.gz KULCTKDMQBDSOR-UHFFFAOYSA-N 2 2 329.448 1.432 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn2ccccc12 ZINC000342377846 444664824 /nfs/dbraw/zinc/66/48/24/444664824.db2.gz KULCTKDMQBDSOR-UHFFFAOYSA-N 2 2 329.448 1.432 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000338500694 444723064 /nfs/dbraw/zinc/72/30/64/444723064.db2.gz JHSSQENRRWETEN-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000338500694 444723066 /nfs/dbraw/zinc/72/30/66/444723066.db2.gz JHSSQENRRWETEN-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000341142767 444694010 /nfs/dbraw/zinc/69/40/10/444694010.db2.gz OEGSFKJONZKZOE-LLVKDONJSA-N 2 2 333.358 1.729 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000341142767 444694015 /nfs/dbraw/zinc/69/40/15/444694015.db2.gz OEGSFKJONZKZOE-LLVKDONJSA-N 2 2 333.358 1.729 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000344064082 444760714 /nfs/dbraw/zinc/76/07/14/444760714.db2.gz ORGVNKYRTUPCTQ-BHYGNILZSA-N 2 2 349.500 1.095 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000344064082 444760715 /nfs/dbraw/zinc/76/07/15/444760715.db2.gz ORGVNKYRTUPCTQ-BHYGNILZSA-N 2 2 349.500 1.095 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCC[NH+]3CCCCCC3)nc[nH+]2)C1 ZINC000334055178 444763774 /nfs/dbraw/zinc/76/37/74/444763774.db2.gz UOTGXMZWCSCNHF-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344132097 444798390 /nfs/dbraw/zinc/79/83/90/444798390.db2.gz OPCRKSKNZDGJOA-MJGOQNOKSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344132097 444798393 /nfs/dbraw/zinc/79/83/93/444798393.db2.gz OPCRKSKNZDGJOA-MJGOQNOKSA-N 2 2 345.487 1.424 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000336856641 444805218 /nfs/dbraw/zinc/80/52/18/444805218.db2.gz NJBROYSTVBNUQX-KBPBESRZSA-N 2 2 326.466 1.261 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000336856641 444805221 /nfs/dbraw/zinc/80/52/21/444805221.db2.gz NJBROYSTVBNUQX-KBPBESRZSA-N 2 2 326.466 1.261 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000336875154 444820498 /nfs/dbraw/zinc/82/04/98/444820498.db2.gz BGOSGVXSJPOCDF-KRWDZBQOSA-N 2 2 337.489 1.465 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000336875154 444820499 /nfs/dbraw/zinc/82/04/99/444820499.db2.gz BGOSGVXSJPOCDF-KRWDZBQOSA-N 2 2 337.489 1.465 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000336875154 444820502 /nfs/dbraw/zinc/82/05/02/444820502.db2.gz BGOSGVXSJPOCDF-KRWDZBQOSA-N 2 2 337.489 1.465 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000336875154 444820505 /nfs/dbraw/zinc/82/05/05/444820505.db2.gz BGOSGVXSJPOCDF-KRWDZBQOSA-N 2 2 337.489 1.465 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCN(C4CC4)C(=O)C3)c2cc1C ZINC000336885178 444832759 /nfs/dbraw/zinc/83/27/59/444832759.db2.gz CPVMAHFARHTYSW-MRXNPFEDSA-N 2 2 342.443 1.321 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCN(C4CC4)C(=O)C3)c2cc1C ZINC000336885178 444832760 /nfs/dbraw/zinc/83/27/60/444832760.db2.gz CPVMAHFARHTYSW-MRXNPFEDSA-N 2 2 342.443 1.321 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000342739530 444843688 /nfs/dbraw/zinc/84/36/88/444843688.db2.gz LCPANOCHNFOCDF-UHFFFAOYSA-N 2 2 331.460 1.440 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000342739530 444843693 /nfs/dbraw/zinc/84/36/93/444843693.db2.gz LCPANOCHNFOCDF-UHFFFAOYSA-N 2 2 331.460 1.440 20 0 EDADLP Cn1nccc1[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000344244096 444859340 /nfs/dbraw/zinc/85/93/40/444859340.db2.gz BVJKJEGVBISVLD-MJGOQNOKSA-N 2 2 341.459 1.899 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]4C(=O)N(C)C[C@@H]43)sc2C1 ZINC000344258677 444867621 /nfs/dbraw/zinc/86/76/21/444867621.db2.gz ZVQKFDBXSJTLRZ-HIFRSBDPSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]4C(=O)N(C)C[C@@H]43)sc2C1 ZINC000344258677 444867626 /nfs/dbraw/zinc/86/76/26/444867626.db2.gz ZVQKFDBXSJTLRZ-HIFRSBDPSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]4C(=O)N(C)C[C@@H]43)sc2C1 ZINC000344258677 444867630 /nfs/dbraw/zinc/86/76/30/444867630.db2.gz ZVQKFDBXSJTLRZ-HIFRSBDPSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]4C(=O)N(C)C[C@@H]43)sc2C1 ZINC000344258677 444867632 /nfs/dbraw/zinc/86/76/32/444867632.db2.gz ZVQKFDBXSJTLRZ-HIFRSBDPSA-N 2 2 348.516 1.962 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)C[C@@H]21 ZINC000341544779 444885818 /nfs/dbraw/zinc/88/58/18/444885818.db2.gz IPXAGBDTFGBZEO-YESZJQIVSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)C[C@@H]21 ZINC000341544779 444885822 /nfs/dbraw/zinc/88/58/22/444885822.db2.gz IPXAGBDTFGBZEO-YESZJQIVSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)C[C@@H]21 ZINC000341544779 444885827 /nfs/dbraw/zinc/88/58/27/444885827.db2.gz IPXAGBDTFGBZEO-YESZJQIVSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C[C@@H]21 ZINC000341544779 444885832 /nfs/dbraw/zinc/88/58/32/444885832.db2.gz IPXAGBDTFGBZEO-YESZJQIVSA-N 2 2 336.480 1.118 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)[C@H](C)C[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000341637675 444928190 /nfs/dbraw/zinc/92/81/90/444928190.db2.gz LYBHQQGTQSNWDQ-MRXNPFEDSA-N 2 2 346.475 1.443 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000344417951 444954009 /nfs/dbraw/zinc/95/40/09/444954009.db2.gz MOIAVARCUJYAHC-MOPGFXCFSA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000344417951 444954011 /nfs/dbraw/zinc/95/40/11/444954011.db2.gz MOIAVARCUJYAHC-MOPGFXCFSA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000344417951 444954014 /nfs/dbraw/zinc/95/40/14/444954014.db2.gz MOIAVARCUJYAHC-MOPGFXCFSA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000344417951 444954017 /nfs/dbraw/zinc/95/40/17/444954017.db2.gz MOIAVARCUJYAHC-MOPGFXCFSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000344440499 444972849 /nfs/dbraw/zinc/97/28/49/444972849.db2.gz LWXBUUMFOICYOL-YJBOKZPZSA-N 2 2 342.443 1.509 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000344384655 444933226 /nfs/dbraw/zinc/93/32/26/444933226.db2.gz OZRJAEPSHUGSKG-RDJZCZTQSA-N 2 2 333.501 1.939 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000344384655 444933229 /nfs/dbraw/zinc/93/32/29/444933229.db2.gz OZRJAEPSHUGSKG-RDJZCZTQSA-N 2 2 333.501 1.939 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCNc3cc[nH+]cc3)c12 ZINC000337382678 445057077 /nfs/dbraw/zinc/05/70/77/445057077.db2.gz FHNMOZLIHUXQOQ-UHFFFAOYSA-N 3 2 332.371 1.551 20 0 EDADLP OC[C@@H]1CSCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341914770 445070264 /nfs/dbraw/zinc/07/02/64/445070264.db2.gz ZEWZFUGCJFKXSI-QZTJIDSGSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@@H]1CSCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341914770 445070269 /nfs/dbraw/zinc/07/02/69/445070269.db2.gz ZEWZFUGCJFKXSI-QZTJIDSGSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@@H]1CSCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341914770 445070273 /nfs/dbraw/zinc/07/02/73/445070273.db2.gz ZEWZFUGCJFKXSI-QZTJIDSGSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@@H]1CSCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341914770 445070277 /nfs/dbraw/zinc/07/02/77/445070277.db2.gz ZEWZFUGCJFKXSI-QZTJIDSGSA-N 2 2 336.501 1.687 20 0 EDADLP C[C@@H](c1ccc(NC(=O)N2CC[NH+](C)CC2)cc1)[NH+]1CCOCC1 ZINC000344743618 445139072 /nfs/dbraw/zinc/13/90/72/445139072.db2.gz FUDBYKXXODIYFU-HNNXBMFYSA-N 2 2 332.448 1.859 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000339247289 445112747 /nfs/dbraw/zinc/11/27/47/445112747.db2.gz FJWPXNILKYZMFD-XJKSGUPXSA-N 2 2 349.479 1.084 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000339247289 445112749 /nfs/dbraw/zinc/11/27/49/445112749.db2.gz FJWPXNILKYZMFD-XJKSGUPXSA-N 2 2 349.479 1.084 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000339247289 445112752 /nfs/dbraw/zinc/11/27/52/445112752.db2.gz FJWPXNILKYZMFD-XJKSGUPXSA-N 2 2 349.479 1.084 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000339247289 445112753 /nfs/dbraw/zinc/11/27/53/445112753.db2.gz FJWPXNILKYZMFD-XJKSGUPXSA-N 2 2 349.479 1.084 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339266432 445125190 /nfs/dbraw/zinc/12/51/90/445125190.db2.gz ZMQRITYOZYMZRK-ZACQAIPSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339266432 445125195 /nfs/dbraw/zinc/12/51/95/445125195.db2.gz ZMQRITYOZYMZRK-ZACQAIPSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000343262190 445166503 /nfs/dbraw/zinc/16/65/03/445166503.db2.gz WZUMJUOXUIVYKY-KRWDZBQOSA-N 2 2 333.501 1.941 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000345473296 445187670 /nfs/dbraw/zinc/18/76/70/445187670.db2.gz QVGLMMSEULYBBU-QZWWFDLISA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000339514128 445147545 /nfs/dbraw/zinc/14/75/45/445147545.db2.gz LCJSDHKHFRRDOH-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000339514128 445147549 /nfs/dbraw/zinc/14/75/49/445147549.db2.gz LCJSDHKHFRRDOH-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000343248703 445159607 /nfs/dbraw/zinc/15/96/07/445159607.db2.gz WHJNWRKEECWUMY-KZNAEPCWSA-N 3 2 325.497 1.234 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)CCC[N@@H+]1C ZINC000345774274 445199328 /nfs/dbraw/zinc/19/93/28/445199328.db2.gz ITMISZVCVVRHBM-ZBFHGGJFSA-N 2 2 341.459 2.429 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)CCC[N@H+]1C ZINC000345774274 445199331 /nfs/dbraw/zinc/19/93/31/445199331.db2.gz ITMISZVCVVRHBM-ZBFHGGJFSA-N 2 2 341.459 2.429 20 0 EDADLP CC(C)CNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346917454 445227924 /nfs/dbraw/zinc/22/79/24/445227924.db2.gz HPHDCBHLNUJURH-CRAIPNDOSA-N 2 2 335.496 1.507 20 0 EDADLP CC(C)CNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346917454 445227925 /nfs/dbraw/zinc/22/79/25/445227925.db2.gz HPHDCBHLNUJURH-CRAIPNDOSA-N 2 2 335.496 1.507 20 0 EDADLP CC(C)CNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346917454 445227926 /nfs/dbraw/zinc/22/79/26/445227926.db2.gz HPHDCBHLNUJURH-CRAIPNDOSA-N 2 2 335.496 1.507 20 0 EDADLP CC(C)CNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346917454 445227927 /nfs/dbraw/zinc/22/79/27/445227927.db2.gz HPHDCBHLNUJURH-CRAIPNDOSA-N 2 2 335.496 1.507 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102381 445269207 /nfs/dbraw/zinc/26/92/07/445269207.db2.gz NKJPXYNRTUGVCS-ULQDDVLXSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102381 445269208 /nfs/dbraw/zinc/26/92/08/445269208.db2.gz NKJPXYNRTUGVCS-ULQDDVLXSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348102381 445269211 /nfs/dbraw/zinc/26/92/11/445269211.db2.gz NKJPXYNRTUGVCS-ULQDDVLXSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348102381 445269213 /nfs/dbraw/zinc/26/92/13/445269213.db2.gz NKJPXYNRTUGVCS-ULQDDVLXSA-N 3 2 337.487 1.749 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354635508 445322223 /nfs/dbraw/zinc/32/22/23/445322223.db2.gz JCDHNWRVTWSNFQ-IIAWOOMASA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354635508 445322228 /nfs/dbraw/zinc/32/22/28/445322228.db2.gz JCDHNWRVTWSNFQ-IIAWOOMASA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354635508 445322233 /nfs/dbraw/zinc/32/22/33/445322233.db2.gz JCDHNWRVTWSNFQ-IIAWOOMASA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354635508 445322235 /nfs/dbraw/zinc/32/22/35/445322235.db2.gz JCDHNWRVTWSNFQ-IIAWOOMASA-N 2 2 349.479 1.082 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)[C@@H](C)C1 ZINC000343642879 445277296 /nfs/dbraw/zinc/27/72/96/445277296.db2.gz PWRRBYGPNKHRKO-YOEHRIQHSA-N 2 2 339.505 1.803 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)[C@@H](C)C1 ZINC000343642879 445277297 /nfs/dbraw/zinc/27/72/97/445277297.db2.gz PWRRBYGPNKHRKO-YOEHRIQHSA-N 2 2 339.505 1.803 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348164342 445297865 /nfs/dbraw/zinc/29/78/65/445297865.db2.gz XPFVVBVOUMLGMV-GUDVDZBRSA-N 2 2 345.487 1.782 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348164342 445297868 /nfs/dbraw/zinc/29/78/68/445297868.db2.gz XPFVVBVOUMLGMV-GUDVDZBRSA-N 2 2 345.487 1.782 20 0 EDADLP C[N@H+](CCC(=O)N1CCCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000348276346 445336236 /nfs/dbraw/zinc/33/62/36/445336236.db2.gz NSHOSKINHOQUHQ-UHFFFAOYSA-N 2 2 345.487 1.744 20 0 EDADLP C[N@@H+](CCC(=O)N1CCCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000348276346 445336238 /nfs/dbraw/zinc/33/62/38/445336238.db2.gz NSHOSKINHOQUHQ-UHFFFAOYSA-N 2 2 345.487 1.744 20 0 EDADLP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000348635243 445341226 /nfs/dbraw/zinc/34/12/26/445341226.db2.gz KQPRBCPDJCWPPY-QGZVFWFLSA-N 2 2 340.512 1.663 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000351850584 445343148 /nfs/dbraw/zinc/34/31/48/445343148.db2.gz JDMYKENJUMMSJC-CABCVRRESA-N 2 2 331.464 1.680 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000351850584 445343149 /nfs/dbraw/zinc/34/31/49/445343149.db2.gz JDMYKENJUMMSJC-CABCVRRESA-N 2 2 331.464 1.680 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000351863988 445347122 /nfs/dbraw/zinc/34/71/22/445347122.db2.gz WOUIKVZIIOWSIZ-STQMWFEESA-N 2 2 337.493 1.347 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000354714933 445348771 /nfs/dbraw/zinc/34/87/71/445348771.db2.gz XLJGLNATDIPTII-UHFFFAOYSA-N 2 2 344.459 1.698 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000354733311 445356212 /nfs/dbraw/zinc/35/62/12/445356212.db2.gz PFBSAQPIDFTZNW-ZDUSSCGKSA-N 2 2 328.464 1.871 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000354733311 445356215 /nfs/dbraw/zinc/35/62/15/445356215.db2.gz PFBSAQPIDFTZNW-ZDUSSCGKSA-N 2 2 328.464 1.871 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]2C ZINC000359653959 445359296 /nfs/dbraw/zinc/35/92/96/445359296.db2.gz WVZPJEVOKFCCBM-CABCVRRESA-N 2 2 331.460 1.777 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]2C ZINC000359653959 445359298 /nfs/dbraw/zinc/35/92/98/445359298.db2.gz WVZPJEVOKFCCBM-CABCVRRESA-N 2 2 331.460 1.777 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000362519180 445421187 /nfs/dbraw/zinc/42/11/87/445421187.db2.gz LLQLZCKJFKENGR-LJIGWXMPSA-N 2 2 346.475 1.509 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000362519180 445421190 /nfs/dbraw/zinc/42/11/90/445421190.db2.gz LLQLZCKJFKENGR-LJIGWXMPSA-N 2 2 346.475 1.509 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2)cc[nH+]1 ZINC000348895208 445431846 /nfs/dbraw/zinc/43/18/46/445431846.db2.gz QQAQKLFWQRPCEG-KRWDZBQOSA-N 2 2 339.443 2.173 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354849776 445423621 /nfs/dbraw/zinc/42/36/21/445423621.db2.gz HDWFVCBOQHKKMF-HZPDHXFCSA-N 2 2 334.443 1.900 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000348869403 445423866 /nfs/dbraw/zinc/42/38/66/445423866.db2.gz NBFCESSFEGUGAO-UHFFFAOYSA-N 2 2 346.475 1.894 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000348878388 445426787 /nfs/dbraw/zinc/42/67/87/445426787.db2.gz IWFBJTJCCQTYGP-CRAIPNDOSA-N 2 2 331.460 1.270 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000348878388 445426790 /nfs/dbraw/zinc/42/67/90/445426790.db2.gz IWFBJTJCCQTYGP-CRAIPNDOSA-N 2 2 331.460 1.270 20 0 EDADLP COCC[NH+]1CC[C@@H](NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000348878388 445426793 /nfs/dbraw/zinc/42/67/93/445426793.db2.gz IWFBJTJCCQTYGP-CRAIPNDOSA-N 2 2 331.460 1.270 20 0 EDADLP COCC[NH+]1CC[C@@H](NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000348878388 445426796 /nfs/dbraw/zinc/42/67/96/445426796.db2.gz IWFBJTJCCQTYGP-CRAIPNDOSA-N 2 2 331.460 1.270 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357101895 445429612 /nfs/dbraw/zinc/42/96/12/445429612.db2.gz FLQYQNHPKFVDCT-CABCVRRESA-N 2 2 340.427 1.889 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357101895 445429614 /nfs/dbraw/zinc/42/96/14/445429614.db2.gz FLQYQNHPKFVDCT-CABCVRRESA-N 2 2 340.427 1.889 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000357022025 445381068 /nfs/dbraw/zinc/38/10/68/445381068.db2.gz ALDNRZHEOFGUHK-UHFFFAOYSA-N 2 2 343.374 1.021 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)CCO1 ZINC000362459073 445393146 /nfs/dbraw/zinc/39/31/46/445393146.db2.gz GHEBFGAZRGGJCP-QGZVFWFLSA-N 2 2 334.464 1.981 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)CCO1 ZINC000362459073 445393147 /nfs/dbraw/zinc/39/31/47/445393147.db2.gz GHEBFGAZRGGJCP-QGZVFWFLSA-N 2 2 334.464 1.981 20 0 EDADLP COCCOc1cc2c(cc1C[N@@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)OCO2 ZINC000357121174 445439214 /nfs/dbraw/zinc/43/92/14/445439214.db2.gz PDIHKYMZBNSSCW-UKRRQHHQSA-N 2 2 334.416 1.482 20 0 EDADLP COCCOc1cc2c(cc1C[N@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)OCO2 ZINC000357121174 445439217 /nfs/dbraw/zinc/43/92/17/445439217.db2.gz PDIHKYMZBNSSCW-UKRRQHHQSA-N 2 2 334.416 1.482 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000362560987 445440210 /nfs/dbraw/zinc/44/02/10/445440210.db2.gz OLAHAPBIERFWSP-NVXWUHKLSA-N 2 2 344.459 1.230 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000362560987 445440214 /nfs/dbraw/zinc/44/02/14/445440214.db2.gz OLAHAPBIERFWSP-NVXWUHKLSA-N 2 2 344.459 1.230 20 0 EDADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)n2c1 ZINC000362661183 445483712 /nfs/dbraw/zinc/48/37/12/445483712.db2.gz COUNZEGQAFHADT-OAHLLOKOSA-N 2 2 327.432 1.039 20 0 EDADLP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)n2c1 ZINC000362661183 445483718 /nfs/dbraw/zinc/48/37/18/445483718.db2.gz COUNZEGQAFHADT-OAHLLOKOSA-N 2 2 327.432 1.039 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000352040656 445455443 /nfs/dbraw/zinc/45/54/43/445455443.db2.gz RBQNXTKIWOOZIE-NVXWUHKLSA-N 2 2 343.537 1.477 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348972369 445461815 /nfs/dbraw/zinc/46/18/15/445461815.db2.gz SHUDOSRHWMMPKW-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348972369 445461816 /nfs/dbraw/zinc/46/18/16/445461816.db2.gz SHUDOSRHWMMPKW-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348972369 445461819 /nfs/dbraw/zinc/46/18/19/445461819.db2.gz SHUDOSRHWMMPKW-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348972369 445461821 /nfs/dbraw/zinc/46/18/21/445461821.db2.gz SHUDOSRHWMMPKW-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCCCC[NH+](C)C)c2)cc[nH+]1 ZINC000349153368 445523843 /nfs/dbraw/zinc/52/38/43/445523843.db2.gz RRXLUUBKUUVJSF-UHFFFAOYSA-N 2 2 341.459 2.469 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[N@H+](C)Cc1ccccc1 ZINC000355935785 445536952 /nfs/dbraw/zinc/53/69/52/445536952.db2.gz JGTPBXOWDUHXHG-SJLPKXTDSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355935785 445536956 /nfs/dbraw/zinc/53/69/56/445536956.db2.gz JGTPBXOWDUHXHG-SJLPKXTDSA-N 2 2 333.476 1.422 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1SC ZINC000362699283 445506637 /nfs/dbraw/zinc/50/66/37/445506637.db2.gz UCQPRRKVZHOAPC-HNNXBMFYSA-N 2 2 349.500 1.813 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1SC ZINC000362699283 445506639 /nfs/dbraw/zinc/50/66/39/445506639.db2.gz UCQPRRKVZHOAPC-HNNXBMFYSA-N 2 2 349.500 1.813 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000360096487 445564585 /nfs/dbraw/zinc/56/45/85/445564585.db2.gz DXCRDRIZFVLMDX-UHFFFAOYSA-N 2 2 333.411 1.833 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000360117497 445576070 /nfs/dbraw/zinc/57/60/70/445576070.db2.gz DMLYVDWGKCPFTL-AEFFLSMTSA-N 2 2 330.476 1.013 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000360117497 445576074 /nfs/dbraw/zinc/57/60/74/445576074.db2.gz DMLYVDWGKCPFTL-AEFFLSMTSA-N 2 2 330.476 1.013 20 0 EDADLP CC(C)[N@H+](C)CC(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000362943129 445620403 /nfs/dbraw/zinc/62/04/03/445620403.db2.gz SBMYCGBYFIGEQK-UHFFFAOYSA-N 2 2 329.448 1.988 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000362943129 445620410 /nfs/dbraw/zinc/62/04/10/445620410.db2.gz SBMYCGBYFIGEQK-UHFFFAOYSA-N 2 2 329.448 1.988 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc(Cl)s1 ZINC000349596861 445621474 /nfs/dbraw/zinc/62/14/74/445621474.db2.gz HZVCMSDFXVMOHR-NSHDSACASA-N 2 2 330.885 1.829 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc(Cl)s1 ZINC000349596861 445621479 /nfs/dbraw/zinc/62/14/79/445621479.db2.gz HZVCMSDFXVMOHR-NSHDSACASA-N 2 2 330.885 1.829 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000362985021 445638593 /nfs/dbraw/zinc/63/85/93/445638593.db2.gz ARYDYRRUBXDIQM-IAGOWNOFSA-N 2 2 333.480 1.008 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000362985021 445638595 /nfs/dbraw/zinc/63/85/95/445638595.db2.gz ARYDYRRUBXDIQM-IAGOWNOFSA-N 2 2 333.480 1.008 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000358534285 445639264 /nfs/dbraw/zinc/63/92/64/445639264.db2.gz VNXCUFLFAIVVSC-KGLIPLIRSA-N 2 2 335.452 1.260 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000363012146 445649542 /nfs/dbraw/zinc/64/95/42/445649542.db2.gz AJRXJKHNSMOSKE-UHFFFAOYSA-N 2 2 328.420 1.503 20 0 EDADLP COCCOc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)OCO2 ZINC000353565993 445659000 /nfs/dbraw/zinc/65/90/00/445659000.db2.gz QILDQKXBLKYJCM-AWEZNQCLSA-N 2 2 336.432 1.824 20 0 EDADLP COCCOc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1)OCO2 ZINC000353565993 445659001 /nfs/dbraw/zinc/65/90/01/445659001.db2.gz QILDQKXBLKYJCM-AWEZNQCLSA-N 2 2 336.432 1.824 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(NS(C)(=O)=O)c1 ZINC000353650456 445693098 /nfs/dbraw/zinc/69/30/98/445693098.db2.gz QVRMOWLZVBXHAN-WCQYABFASA-N 2 2 334.445 1.989 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(NS(C)(=O)=O)c1 ZINC000353650456 445693101 /nfs/dbraw/zinc/69/31/01/445693101.db2.gz QVRMOWLZVBXHAN-WCQYABFASA-N 2 2 334.445 1.989 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H](C)[N@H+]1C ZINC000358661250 445700257 /nfs/dbraw/zinc/70/02/57/445700257.db2.gz HOMBNMOMLGHNLH-ZIFCJYIRSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1C ZINC000358661250 445700260 /nfs/dbraw/zinc/70/02/60/445700260.db2.gz HOMBNMOMLGHNLH-ZIFCJYIRSA-N 2 2 344.503 1.526 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000363208371 445720982 /nfs/dbraw/zinc/72/09/82/445720982.db2.gz SNGSPUYGIYRNBH-HNNXBMFYSA-N 2 2 340.431 1.551 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000363208371 445720987 /nfs/dbraw/zinc/72/09/87/445720987.db2.gz SNGSPUYGIYRNBH-HNNXBMFYSA-N 2 2 340.431 1.551 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358695647 445722749 /nfs/dbraw/zinc/72/27/49/445722749.db2.gz RCDGKHBFTSYIEZ-IJEWVQPXSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358695647 445722754 /nfs/dbraw/zinc/72/27/54/445722754.db2.gz RCDGKHBFTSYIEZ-IJEWVQPXSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358695647 445722757 /nfs/dbraw/zinc/72/27/57/445722757.db2.gz RCDGKHBFTSYIEZ-IJEWVQPXSA-N 2 2 349.479 1.034 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000363220341 445728329 /nfs/dbraw/zinc/72/83/29/445728329.db2.gz YYRDQRQJOMQRBB-GOSISDBHSA-N 2 2 348.466 1.154 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000363220341 445728334 /nfs/dbraw/zinc/72/83/34/445728334.db2.gz YYRDQRQJOMQRBB-GOSISDBHSA-N 2 2 348.466 1.154 20 0 EDADLP C[C@H](CNC(=O)C1CC[NH+](Cc2cccnc2)CC1)[NH+]1CCOCC1 ZINC000363257425 445742842 /nfs/dbraw/zinc/74/28/42/445742842.db2.gz XKXZOYYABKFZOH-MRXNPFEDSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000349996412 445745764 /nfs/dbraw/zinc/74/57/64/445745764.db2.gz WFUYBLFHJBMNLY-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000349996412 445745769 /nfs/dbraw/zinc/74/57/69/445745769.db2.gz WFUYBLFHJBMNLY-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000349996412 445745774 /nfs/dbraw/zinc/74/57/74/445745774.db2.gz WFUYBLFHJBMNLY-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000349996412 445745778 /nfs/dbraw/zinc/74/57/78/445745778.db2.gz WFUYBLFHJBMNLY-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H](CO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000363347995 445774480 /nfs/dbraw/zinc/77/44/80/445774480.db2.gz MOJSGVWAPPEFIB-MRXNPFEDSA-N 2 2 335.448 1.018 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H](CO)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000363347995 445774485 /nfs/dbraw/zinc/77/44/85/445774485.db2.gz MOJSGVWAPPEFIB-MRXNPFEDSA-N 2 2 335.448 1.018 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000361254631 445756972 /nfs/dbraw/zinc/75/69/72/445756972.db2.gz ZYURYEGIZBXZQY-BZUAXINKSA-N 3 2 345.491 1.408 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000358777642 445769883 /nfs/dbraw/zinc/76/98/83/445769883.db2.gz YGVFRYJHYUDBFM-UHFFFAOYSA-N 2 2 347.434 1.683 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363477022 445820150 /nfs/dbraw/zinc/82/01/50/445820150.db2.gz OVQFDFDBLAUEJR-HYVNUMGLSA-N 2 2 349.479 1.068 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCCCCn3cccn3)CCO2)CC1 ZINC000363493346 445829409 /nfs/dbraw/zinc/82/94/09/445829409.db2.gz OHJGOUMCOGAIOU-SFHVURJKSA-N 2 2 335.496 1.002 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCCCCn3cccn3)CCO2)CC1 ZINC000363493346 445829412 /nfs/dbraw/zinc/82/94/12/445829412.db2.gz OHJGOUMCOGAIOU-SFHVURJKSA-N 2 2 335.496 1.002 20 0 EDADLP C[C@H](CNC(=O)[C@]1([NH+](C)C)CCOc2ccccc21)Cn1cc[nH+]c1 ZINC000363355773 445779402 /nfs/dbraw/zinc/77/94/02/445779402.db2.gz LLTNTUYSMRFEKI-BEFAXECRSA-N 2 2 342.443 1.875 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[N@@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000363410014 445792811 /nfs/dbraw/zinc/79/28/11/445792811.db2.gz BPFZFKRVXKQTGN-HOTGVXAUSA-N 2 2 331.464 1.360 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[N@H+]4CCC[C@H]4C3)nc[nH+]2)C1 ZINC000363410014 445792814 /nfs/dbraw/zinc/79/28/14/445792814.db2.gz BPFZFKRVXKQTGN-HOTGVXAUSA-N 2 2 331.464 1.360 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363417550 445795413 /nfs/dbraw/zinc/79/54/13/445795413.db2.gz JVKDZHLIWOYZFU-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)CC[C@@H]21 ZINC000356451670 445796709 /nfs/dbraw/zinc/79/67/09/445796709.db2.gz XFKBOXJXXOTFIP-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)CC[C@@H]21 ZINC000356451670 445796714 /nfs/dbraw/zinc/79/67/14/445796714.db2.gz XFKBOXJXXOTFIP-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC[C@@H]21 ZINC000356451670 445796719 /nfs/dbraw/zinc/79/67/19/445796719.db2.gz XFKBOXJXXOTFIP-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC[C@@H]21 ZINC000356451670 445796725 /nfs/dbraw/zinc/79/67/25/445796725.db2.gz XFKBOXJXXOTFIP-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000361520051 445800670 /nfs/dbraw/zinc/80/06/70/445800670.db2.gz RLSQHTUYAFZAAM-INIZCTEOSA-N 2 2 346.475 1.859 20 0 EDADLP CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000363458859 445812901 /nfs/dbraw/zinc/81/29/01/445812901.db2.gz CLNJMFPZRVRSCU-OAHLLOKOSA-N 2 2 333.480 1.204 20 0 EDADLP CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000363458859 445812904 /nfs/dbraw/zinc/81/29/04/445812904.db2.gz CLNJMFPZRVRSCU-OAHLLOKOSA-N 2 2 333.480 1.204 20 0 EDADLP CS[C@@H]1CN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)C[C@@H]1[NH+](C)C ZINC000356526047 445841596 /nfs/dbraw/zinc/84/15/96/445841596.db2.gz ANGSWRRPKBUSTP-JKSUJKDBSA-N 2 2 332.473 1.999 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000356568699 445863121 /nfs/dbraw/zinc/86/31/21/445863121.db2.gz JVMJEIFNHQGMKX-PBHICJAKSA-N 2 2 332.448 1.256 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000356568699 445863123 /nfs/dbraw/zinc/86/31/23/445863123.db2.gz JVMJEIFNHQGMKX-PBHICJAKSA-N 2 2 332.448 1.256 20 0 EDADLP CCS(=O)(=O)CCCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000364540933 445931574 /nfs/dbraw/zinc/93/15/74/445931574.db2.gz RJDUBJLYJCJWGX-GVDBMIGSSA-N 2 2 346.537 1.775 20 0 EDADLP CCS(=O)(=O)CCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000364540933 445931580 /nfs/dbraw/zinc/93/15/80/445931580.db2.gz RJDUBJLYJCJWGX-GVDBMIGSSA-N 2 2 346.537 1.775 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000364542594 445931753 /nfs/dbraw/zinc/93/17/53/445931753.db2.gz XZDSLKVVIJLYCA-OAGGEKHMSA-N 2 2 344.521 1.290 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000364542594 445931759 /nfs/dbraw/zinc/93/17/59/445931759.db2.gz XZDSLKVVIJLYCA-OAGGEKHMSA-N 2 2 344.521 1.290 20 0 EDADLP Cc1cc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)nc(C2CC2)[nH+]1 ZINC000364058658 445892938 /nfs/dbraw/zinc/89/29/38/445892938.db2.gz XLHNEHCTHTVNPL-HNNXBMFYSA-N 2 2 329.448 1.453 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1N1CCOCC1 ZINC000361745424 445910838 /nfs/dbraw/zinc/91/08/38/445910838.db2.gz RKTDCPDUICJNGF-MSOLQXFVSA-N 2 2 341.459 1.810 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1N1CCOCC1 ZINC000361745424 445910842 /nfs/dbraw/zinc/91/08/42/445910842.db2.gz RKTDCPDUICJNGF-MSOLQXFVSA-N 2 2 341.459 1.810 20 0 EDADLP c1cc(-c2ccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)o2)n[nH]1 ZINC000366009021 445958592 /nfs/dbraw/zinc/95/85/92/445958592.db2.gz KYIDIANHBIYECH-OAHLLOKOSA-N 2 2 345.447 1.166 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000369172346 445968697 /nfs/dbraw/zinc/96/86/97/445968697.db2.gz VBVACEXOPMPJGJ-LJQANCHMSA-N 2 2 331.460 1.180 20 0 EDADLP CC(C)c1nc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)cc[nH+]1 ZINC000369184233 445975031 /nfs/dbraw/zinc/97/50/31/445975031.db2.gz PQKLOKFTFPNAKB-UHFFFAOYSA-N 2 2 331.464 2.099 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH+](CCc3cccs3)CC2)no1 ZINC000359160395 445989693 /nfs/dbraw/zinc/98/96/93/445989693.db2.gz BVLUXVOKMRUQMB-UHFFFAOYSA-N 2 2 348.472 1.798 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000365097983 446022057 /nfs/dbraw/zinc/02/20/57/446022057.db2.gz GOABEVWHPAIBEM-PBHICJAKSA-N 2 2 334.464 1.355 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4[nH]cnc4c3)C2)CC1 ZINC000369251696 446023452 /nfs/dbraw/zinc/02/34/52/446023452.db2.gz CTNFALIKCAWRGT-AWEZNQCLSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4[nH]cnc4c3)C2)CC1 ZINC000369251696 446023456 /nfs/dbraw/zinc/02/34/56/446023456.db2.gz CTNFALIKCAWRGT-AWEZNQCLSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccccc3C=O)C2)CC1 ZINC000369273175 446037531 /nfs/dbraw/zinc/03/75/31/446037531.db2.gz FYASNHLUIYZQOA-MRXNPFEDSA-N 2 2 345.443 1.163 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccccc3C=O)C2)CC1 ZINC000369273175 446037537 /nfs/dbraw/zinc/03/75/37/446037537.db2.gz FYASNHLUIYZQOA-MRXNPFEDSA-N 2 2 345.443 1.163 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000361886953 446040758 /nfs/dbraw/zinc/04/07/58/446040758.db2.gz BFAAHZUAOCAQAC-JYBIWHBTSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000361886953 446040764 /nfs/dbraw/zinc/04/07/64/446040764.db2.gz BFAAHZUAOCAQAC-JYBIWHBTSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361886953 446040768 /nfs/dbraw/zinc/04/07/68/446040768.db2.gz BFAAHZUAOCAQAC-JYBIWHBTSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361886953 446040775 /nfs/dbraw/zinc/04/07/75/446040775.db2.gz BFAAHZUAOCAQAC-JYBIWHBTSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000583125009 326005116 /nfs/dbraw/zinc/00/51/16/326005116.db2.gz LVFJHZAEOCTZHS-VRXFMZDNSA-N 2 2 326.481 1.250 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000583125009 326005119 /nfs/dbraw/zinc/00/51/19/326005119.db2.gz LVFJHZAEOCTZHS-VRXFMZDNSA-N 2 2 326.481 1.250 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2SCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000583614218 326104646 /nfs/dbraw/zinc/10/46/46/326104646.db2.gz JRMIOFVLQRQUNO-ZBFHGGJFSA-N 2 2 334.489 1.301 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2SCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000583614218 326104647 /nfs/dbraw/zinc/10/46/47/326104647.db2.gz JRMIOFVLQRQUNO-ZBFHGGJFSA-N 2 2 334.489 1.301 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)CN1CC[NH+]1CCOCC1 ZINC000356835027 446057914 /nfs/dbraw/zinc/05/79/14/446057914.db2.gz GLJLGXYCSKUDJT-BZSNNMDCSA-N 2 2 335.492 1.478 20 0 EDADLP COc1ccnc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000584108274 326200672 /nfs/dbraw/zinc/20/06/72/326200672.db2.gz VSVNIYKCAMMCSL-KBXCAEBGSA-N 2 2 326.400 1.831 20 0 EDADLP CC(C)c1nc([C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000373155133 446063718 /nfs/dbraw/zinc/06/37/18/446063718.db2.gz WOHYFABLIXVIII-CQSZACIVSA-N 2 2 335.452 1.146 20 0 EDADLP CC(C)c1nc([C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)no1 ZINC000373155133 446063724 /nfs/dbraw/zinc/06/37/24/446063724.db2.gz WOHYFABLIXVIII-CQSZACIVSA-N 2 2 335.452 1.146 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000584162015 326211003 /nfs/dbraw/zinc/21/10/03/326211003.db2.gz XONZVTSDPOBGLK-GDBMZVCRSA-N 2 2 327.432 1.808 20 0 EDADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000361925722 446074009 /nfs/dbraw/zinc/07/40/09/446074009.db2.gz IWJBEIFOTASQSN-UHFFFAOYSA-N 2 2 349.475 1.560 20 0 EDADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000361925722 446074013 /nfs/dbraw/zinc/07/40/13/446074013.db2.gz IWJBEIFOTASQSN-UHFFFAOYSA-N 2 2 349.475 1.560 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-n2cncn2)cc1 ZINC000366220384 446089729 /nfs/dbraw/zinc/08/97/29/446089729.db2.gz UZMXFKGNVJCWDU-QGTPRVQTSA-N 2 2 327.432 1.781 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-n2cncn2)cc1 ZINC000366220384 446089734 /nfs/dbraw/zinc/08/97/34/446089734.db2.gz UZMXFKGNVJCWDU-QGTPRVQTSA-N 2 2 327.432 1.781 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1F ZINC000361942117 446092957 /nfs/dbraw/zinc/09/29/57/446092957.db2.gz GNZZQQASEWCLJU-WBMJQRKESA-N 2 2 348.447 1.860 20 0 EDADLP O=C1C[C@H]([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207271 446095957 /nfs/dbraw/zinc/09/59/57/446095957.db2.gz WGIWTAFPPJLQFX-RNJOBUHISA-N 2 2 345.365 1.092 20 0 EDADLP O=C1C[C@H]([N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207271 446095960 /nfs/dbraw/zinc/09/59/60/446095960.db2.gz WGIWTAFPPJLQFX-RNJOBUHISA-N 2 2 345.365 1.092 20 0 EDADLP O=C1C[C@H]([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207271 446095962 /nfs/dbraw/zinc/09/59/62/446095962.db2.gz WGIWTAFPPJLQFX-RNJOBUHISA-N 2 2 345.365 1.092 20 0 EDADLP O=C1C[C@H]([NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207271 446095964 /nfs/dbraw/zinc/09/59/64/446095964.db2.gz WGIWTAFPPJLQFX-RNJOBUHISA-N 2 2 345.365 1.092 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCS(=O)(=O)c3ccc(F)cc3)C[C@@H]12 ZINC000351495696 446100325 /nfs/dbraw/zinc/10/03/25/446100325.db2.gz PWVHYEUYTKGKNZ-DAXOMENPSA-N 2 2 326.437 1.659 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCS(=O)(=O)c3ccc(F)cc3)C[C@@H]12 ZINC000351495696 446100331 /nfs/dbraw/zinc/10/03/31/446100331.db2.gz PWVHYEUYTKGKNZ-DAXOMENPSA-N 2 2 326.437 1.659 20 0 EDADLP CN(C(=O)c1ccnc(F)c1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369413462 446118847 /nfs/dbraw/zinc/11/88/47/446118847.db2.gz WEFYHQXWFXGHBZ-ZDUSSCGKSA-N 2 2 338.402 1.600 20 0 EDADLP CN(C(=O)c1ccnc(F)c1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369413462 446118851 /nfs/dbraw/zinc/11/88/51/446118851.db2.gz WEFYHQXWFXGHBZ-ZDUSSCGKSA-N 2 2 338.402 1.600 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359288492 446123348 /nfs/dbraw/zinc/12/33/48/446123348.db2.gz ZDYMNZKZDJHWLN-IRXDYDNUSA-N 2 2 331.460 1.292 20 0 EDADLP Cc1[nH+]c2n(c1CN1CC[NH+](CC[C@H]3CCOC3=O)CC1)CCCC2 ZINC000373256930 446127847 /nfs/dbraw/zinc/12/78/47/446127847.db2.gz CKFNNJRWVNYDGI-INIZCTEOSA-N 2 2 346.475 1.599 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359295334 446129464 /nfs/dbraw/zinc/12/94/64/446129464.db2.gz CFHCRXHZCJYASU-IHRRRGAJSA-N 2 2 333.432 1.032 20 0 EDADLP Clc1ccsc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000373260561 446130566 /nfs/dbraw/zinc/13/05/66/446130566.db2.gz LZJSNGWFNPKQIN-ZDUSSCGKSA-N 2 2 329.897 1.898 20 0 EDADLP Cc1ccc(CC2(O)CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000366379688 446181806 /nfs/dbraw/zinc/18/18/06/446181806.db2.gz PMJIUTARGCGROE-UHFFFAOYSA-N 2 2 345.487 1.138 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000369709780 446149231 /nfs/dbraw/zinc/14/92/31/446149231.db2.gz HTSHQHXDPCJOHM-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000369709780 446149238 /nfs/dbraw/zinc/14/92/38/446149238.db2.gz HTSHQHXDPCJOHM-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP Cc1ccc([C@H](O)C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1 ZINC000369782016 446154142 /nfs/dbraw/zinc/15/41/42/446154142.db2.gz KOWYUKRYFSKRHF-YZGWKJHDSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccc([C@H](O)C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1 ZINC000369782016 446154146 /nfs/dbraw/zinc/15/41/46/446154146.db2.gz KOWYUKRYFSKRHF-YZGWKJHDSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccc([C@H](O)C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000369782016 446154153 /nfs/dbraw/zinc/15/41/53/446154153.db2.gz KOWYUKRYFSKRHF-YZGWKJHDSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000373393122 446197243 /nfs/dbraw/zinc/19/72/43/446197243.db2.gz NTTBRYWFNPGDQV-UHFFFAOYSA-N 2 2 344.463 1.436 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000373393122 446197247 /nfs/dbraw/zinc/19/72/47/446197247.db2.gz NTTBRYWFNPGDQV-UHFFFAOYSA-N 2 2 344.463 1.436 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366444101 446218049 /nfs/dbraw/zinc/21/80/49/446218049.db2.gz QTICRPMTSLRUCH-MAUKXSAKSA-N 2 2 334.464 2.508 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366444101 446218051 /nfs/dbraw/zinc/21/80/51/446218051.db2.gz QTICRPMTSLRUCH-MAUKXSAKSA-N 2 2 334.464 2.508 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366444101 446218053 /nfs/dbraw/zinc/21/80/53/446218053.db2.gz QTICRPMTSLRUCH-MAUKXSAKSA-N 2 2 334.464 2.508 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366444101 446218056 /nfs/dbraw/zinc/21/80/56/446218056.db2.gz QTICRPMTSLRUCH-MAUKXSAKSA-N 2 2 334.464 2.508 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366496099 446237930 /nfs/dbraw/zinc/23/79/30/446237930.db2.gz IFYPXQNDFREYII-RVKKMQEKSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366496099 446237935 /nfs/dbraw/zinc/23/79/35/446237935.db2.gz IFYPXQNDFREYII-RVKKMQEKSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366496099 446237941 /nfs/dbraw/zinc/23/79/41/446237941.db2.gz IFYPXQNDFREYII-RVKKMQEKSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366496099 446237945 /nfs/dbraw/zinc/23/79/45/446237945.db2.gz IFYPXQNDFREYII-RVKKMQEKSA-N 2 2 336.480 1.419 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCC3(c4ccccc4)CC3)C2)C1 ZINC000366563586 446262933 /nfs/dbraw/zinc/26/29/33/446262933.db2.gz YNSMRHCPQOAVLP-IBGZPJMESA-N 2 2 327.472 1.862 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCC3(c4ccccc4)CC3)C2)C1 ZINC000366563586 446262937 /nfs/dbraw/zinc/26/29/37/446262937.db2.gz YNSMRHCPQOAVLP-IBGZPJMESA-N 2 2 327.472 1.862 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCC3(c4ccccc4)CC3)C2)C1 ZINC000366563586 446262941 /nfs/dbraw/zinc/26/29/41/446262941.db2.gz YNSMRHCPQOAVLP-IBGZPJMESA-N 2 2 327.472 1.862 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCC3(c4ccccc4)CC3)C2)C1 ZINC000366563586 446262944 /nfs/dbraw/zinc/26/29/44/446262944.db2.gz YNSMRHCPQOAVLP-IBGZPJMESA-N 2 2 327.472 1.862 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000365592308 446265515 /nfs/dbraw/zinc/26/55/15/446265515.db2.gz IQTNKNSNTFLPLA-UHFFFAOYSA-N 2 2 333.436 1.094 20 0 EDADLP Cc1cccc(CC2(O)CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000373655446 446291938 /nfs/dbraw/zinc/29/19/38/446291938.db2.gz PXXQSKNSKFUYIR-UHFFFAOYSA-N 2 2 345.487 1.138 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370591436 446346597 /nfs/dbraw/zinc/34/65/97/446346597.db2.gz ZTMHWQDTQAPTNV-BBWFWOEESA-N 2 2 339.443 1.960 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370591436 446346600 /nfs/dbraw/zinc/34/66/00/446346600.db2.gz ZTMHWQDTQAPTNV-BBWFWOEESA-N 2 2 339.443 1.960 20 0 EDADLP CN(C)c1[nH+]cc(CNCC2([NH+]3CCCCC3)CCOCC2)n1C ZINC000362286682 446305993 /nfs/dbraw/zinc/30/59/93/446305993.db2.gz RJTDCCJWOCLELV-UHFFFAOYSA-N 2 2 335.496 1.611 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000373732331 446316702 /nfs/dbraw/zinc/31/67/02/446316702.db2.gz DOBBPZPULJJRQF-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000370525771 446317929 /nfs/dbraw/zinc/31/79/29/446317929.db2.gz HFVQJYMDYRJUFG-WEOZKBJRSA-N 2 2 333.476 1.812 20 0 EDADLP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000370525771 446317933 /nfs/dbraw/zinc/31/79/33/446317933.db2.gz HFVQJYMDYRJUFG-WEOZKBJRSA-N 2 2 333.476 1.812 20 0 EDADLP CC[C@@H](C(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1)[NH+](C)C ZINC000370652725 446375340 /nfs/dbraw/zinc/37/53/40/446375340.db2.gz PHRUAQFSXXJJFZ-INIZCTEOSA-N 2 2 335.496 1.839 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417836063 446375698 /nfs/dbraw/zinc/37/56/98/446375698.db2.gz UPIIXYPMAWFWFL-MCIONIFRSA-N 2 2 340.493 1.499 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417836063 446375703 /nfs/dbraw/zinc/37/57/03/446375703.db2.gz UPIIXYPMAWFWFL-MCIONIFRSA-N 2 2 340.493 1.499 20 0 EDADLP O=C1CNC(=O)N1CC[NH2+][C@H]1C[C@@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000370667754 446378960 /nfs/dbraw/zinc/37/89/60/446378960.db2.gz POTLHXNLSIHBME-IRXDYDNUSA-N 2 2 342.443 1.181 20 0 EDADLP O=C1CNC(=O)N1CC[NH2+][C@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000370667754 446378964 /nfs/dbraw/zinc/37/89/64/446378964.db2.gz POTLHXNLSIHBME-IRXDYDNUSA-N 2 2 342.443 1.181 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417953747 446398686 /nfs/dbraw/zinc/39/86/86/446398686.db2.gz OWBHCXZTMWUFAK-CHWSQXEVSA-N 2 2 348.344 1.603 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417953747 446398689 /nfs/dbraw/zinc/39/86/89/446398689.db2.gz OWBHCXZTMWUFAK-CHWSQXEVSA-N 2 2 348.344 1.603 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374876785 446430195 /nfs/dbraw/zinc/43/01/95/446430195.db2.gz NFWUMKJAYQUKOO-KRWDZBQOSA-N 3 2 347.507 1.635 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374876785 446430202 /nfs/dbraw/zinc/43/02/02/446430202.db2.gz NFWUMKJAYQUKOO-KRWDZBQOSA-N 3 2 347.507 1.635 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@H]2CC[NH2+]CC2(F)F)[nH+]cn1 ZINC000420276532 446446527 /nfs/dbraw/zinc/44/65/27/446446527.db2.gz HPYPRKXMHHRZDQ-NEPJUHHUSA-N 2 2 327.379 1.094 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@H]2CC[NH2+]CC2(F)F)nc[nH+]1 ZINC000420276532 446446534 /nfs/dbraw/zinc/44/65/34/446446534.db2.gz HPYPRKXMHHRZDQ-NEPJUHHUSA-N 2 2 327.379 1.094 20 0 EDADLP Fc1ccc(Br)c2[nH+]ccc(NC[C@H]3C[NH2+]CCO3)c12 ZINC000420280344 446448142 /nfs/dbraw/zinc/44/81/42/446448142.db2.gz KSIITMQIAHRSMU-SECBINFHSA-N 2 2 340.196 1.959 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCCCn2cc[nH+]c2)ccc1C[NH+](C)C ZINC000411118713 446403690 /nfs/dbraw/zinc/40/36/90/446403690.db2.gz GIYQPWQCXSADTI-UHFFFAOYSA-N 2 2 343.431 1.398 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000366937379 446417871 /nfs/dbraw/zinc/41/78/71/446417871.db2.gz CVTAVGAOJCJFCM-HOTGVXAUSA-N 2 2 338.496 1.080 20 0 EDADLP CC(C)[NH+](CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C(C)C ZINC000376319050 446426848 /nfs/dbraw/zinc/42/68/48/446426848.db2.gz NLFGZMXJIFFQPG-KRWDZBQOSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)[NH+](CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C(C)C ZINC000376319050 446426852 /nfs/dbraw/zinc/42/68/52/446426852.db2.gz NLFGZMXJIFFQPG-KRWDZBQOSA-N 2 2 325.497 1.722 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H]2c2cccnc2)CC1 ZINC000367001201 446455327 /nfs/dbraw/zinc/45/53/27/446455327.db2.gz ONAQGACGERCLEE-SFHVURJKSA-N 2 2 345.491 1.954 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000370815243 446456937 /nfs/dbraw/zinc/45/69/37/446456937.db2.gz VNYCYQGUSALTIK-CYBMUJFWSA-N 2 2 333.436 1.216 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000370815243 446456940 /nfs/dbraw/zinc/45/69/40/446456940.db2.gz VNYCYQGUSALTIK-CYBMUJFWSA-N 2 2 333.436 1.216 20 0 EDADLP CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000370840482 446473749 /nfs/dbraw/zinc/47/37/49/446473749.db2.gz VVUXCOLZTQNECF-OAHLLOKOSA-N 2 2 333.480 1.774 20 0 EDADLP CC(C)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000370840482 446473752 /nfs/dbraw/zinc/47/37/52/446473752.db2.gz VVUXCOLZTQNECF-OAHLLOKOSA-N 2 2 333.480 1.774 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420311457 446475115 /nfs/dbraw/zinc/47/51/15/446475115.db2.gz VYZNZYOUKVBFDP-HIFRSBDPSA-N 2 2 328.478 1.493 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420311457 446475119 /nfs/dbraw/zinc/47/51/19/446475119.db2.gz VYZNZYOUKVBFDP-HIFRSBDPSA-N 2 2 328.478 1.493 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418281578 446482629 /nfs/dbraw/zinc/48/26/29/446482629.db2.gz VHSQLAUGRYQZCF-STQMWFEESA-N 2 2 328.457 1.569 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418281578 446482636 /nfs/dbraw/zinc/48/26/36/446482636.db2.gz VHSQLAUGRYQZCF-STQMWFEESA-N 2 2 328.457 1.569 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[NH2+]C ZINC000418281674 446483093 /nfs/dbraw/zinc/48/30/93/446483093.db2.gz FBGICJWQZZZCQS-UHFFFAOYSA-N 2 2 333.480 1.939 20 0 EDADLP C[C@H]1CCOCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000374990200 446497922 /nfs/dbraw/zinc/49/79/22/446497922.db2.gz SDYNHGVJTMBKNL-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@H]1CCOCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000374990200 446497927 /nfs/dbraw/zinc/49/79/27/446497927.db2.gz SDYNHGVJTMBKNL-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP COC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(C(F)(F)F)c1 ZINC000423516128 446558618 /nfs/dbraw/zinc/55/86/18/446558618.db2.gz NMBBTWBRHOHZRZ-HUUCEWRRSA-N 2 2 331.382 1.886 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000375070880 446560092 /nfs/dbraw/zinc/56/00/92/446560092.db2.gz PJVASUZLSXDFNA-JCGIZDLHSA-N 2 2 345.491 1.151 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375070880 446560097 /nfs/dbraw/zinc/56/00/97/446560097.db2.gz PJVASUZLSXDFNA-JCGIZDLHSA-N 2 2 345.491 1.151 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420386424 446561341 /nfs/dbraw/zinc/56/13/41/446561341.db2.gz FUWKEQUERZHVIZ-NVXWUHKLSA-N 2 2 345.443 1.876 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420386424 446561348 /nfs/dbraw/zinc/56/13/48/446561348.db2.gz FUWKEQUERZHVIZ-NVXWUHKLSA-N 2 2 345.443 1.876 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CCO1 ZINC000418483985 446561569 /nfs/dbraw/zinc/56/15/69/446561569.db2.gz GALHHFOMQIQDJV-PBHICJAKSA-N 2 2 334.464 1.616 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CCO1 ZINC000418483985 446561575 /nfs/dbraw/zinc/56/15/75/446561575.db2.gz GALHHFOMQIQDJV-PBHICJAKSA-N 2 2 334.464 1.616 20 0 EDADLP [NH3+]C1CCC(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000418393527 446526236 /nfs/dbraw/zinc/52/62/36/446526236.db2.gz YDSLFICYMZGRDJ-UHFFFAOYSA-N 2 2 346.475 1.663 20 0 EDADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420351228 446530548 /nfs/dbraw/zinc/53/05/48/446530548.db2.gz WGBUDJUZBCTXGA-KDOFPFPSSA-N 2 2 344.459 1.196 20 0 EDADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420351228 446530552 /nfs/dbraw/zinc/53/05/52/446530552.db2.gz WGBUDJUZBCTXGA-KDOFPFPSSA-N 2 2 344.459 1.196 20 0 EDADLP CNC(=O)[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420353080 446532262 /nfs/dbraw/zinc/53/22/62/446532262.db2.gz AETFEPWVVVXEIB-AEFFLSMTSA-N 2 2 346.475 1.087 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000370941793 446534464 /nfs/dbraw/zinc/53/44/64/446534464.db2.gz KSVOWUXHGLLTSV-QWQRMKEZSA-N 2 2 348.491 1.976 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000370941793 446534467 /nfs/dbraw/zinc/53/44/67/446534467.db2.gz KSVOWUXHGLLTSV-QWQRMKEZSA-N 2 2 348.491 1.976 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000376506522 446542725 /nfs/dbraw/zinc/54/27/25/446542725.db2.gz LEPUPGCDLGDVRL-KRWDZBQOSA-N 2 2 332.492 1.919 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000376506522 446542729 /nfs/dbraw/zinc/54/27/29/446542729.db2.gz LEPUPGCDLGDVRL-KRWDZBQOSA-N 2 2 332.492 1.919 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418453964 446548530 /nfs/dbraw/zinc/54/85/30/446548530.db2.gz ZWLDOTXHBIZRLQ-UHFFFAOYSA-N 2 2 326.485 1.272 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C2(OC)CCOCC2)nc[nH+]1 ZINC000453161062 446548661 /nfs/dbraw/zinc/54/86/61/446548661.db2.gz QHDPFEMDAHZVDA-GJZGRUSLSA-N 2 2 349.479 1.661 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374854 446553677 /nfs/dbraw/zinc/55/36/77/446553677.db2.gz OAPRRUMFOSGHKA-MAUKXSAKSA-N 2 2 334.464 2.556 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374854 446553682 /nfs/dbraw/zinc/55/36/82/446553682.db2.gz OAPRRUMFOSGHKA-MAUKXSAKSA-N 2 2 334.464 2.556 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000418501645 446568039 /nfs/dbraw/zinc/56/80/39/446568039.db2.gz RODNXSZTBUFMOW-GOSISDBHSA-N 2 2 346.475 1.650 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1C[NH3+] ZINC000420380927 446557262 /nfs/dbraw/zinc/55/72/62/446557262.db2.gz OPSJNNPSCXHXTP-KBPBESRZSA-N 2 2 333.432 1.703 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1C[NH3+] ZINC000420380927 446557266 /nfs/dbraw/zinc/55/72/66/446557266.db2.gz OPSJNNPSCXHXTP-KBPBESRZSA-N 2 2 333.432 1.703 20 0 EDADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420393761 446569200 /nfs/dbraw/zinc/56/92/00/446569200.db2.gz QYOUUNRQNKEXDX-SFHVURJKSA-N 2 2 349.475 1.531 20 0 EDADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420393761 446569201 /nfs/dbraw/zinc/56/92/01/446569201.db2.gz QYOUUNRQNKEXDX-SFHVURJKSA-N 2 2 349.475 1.531 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCc3scnc3C)CC2)C1 ZINC000375087307 446572015 /nfs/dbraw/zinc/57/20/15/446572015.db2.gz YZUMWOFPEYPYKL-INIZCTEOSA-N 2 2 338.521 1.332 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCc3scnc3C)CC2)C1 ZINC000375087307 446572020 /nfs/dbraw/zinc/57/20/20/446572020.db2.gz YZUMWOFPEYPYKL-INIZCTEOSA-N 2 2 338.521 1.332 20 0 EDADLP C[C@H]1CC[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000420409355 446583175 /nfs/dbraw/zinc/58/31/75/446583175.db2.gz QMZKPSQCKKQZHU-UONOGXRCSA-N 2 2 328.453 1.906 20 0 EDADLP C[C@H]1CC[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000420409355 446583182 /nfs/dbraw/zinc/58/31/82/446583182.db2.gz QMZKPSQCKKQZHU-UONOGXRCSA-N 2 2 328.453 1.906 20 0 EDADLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+](C[C@H]3Cc4ccccc43)CC2)C1 ZINC000367740842 446583366 /nfs/dbraw/zinc/58/33/66/446583366.db2.gz QNNUEPOGKBGDHU-WBVHZDCISA-N 2 2 334.485 1.567 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)C1 ZINC000367740839 446583933 /nfs/dbraw/zinc/58/39/33/446583933.db2.gz QNNUEPOGKBGDHU-DOTOQJQBSA-N 2 2 334.485 1.567 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418621634 446619060 /nfs/dbraw/zinc/61/90/60/446619060.db2.gz SYMOGHXICUUSAF-UAGQMJEPSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418621634 446619067 /nfs/dbraw/zinc/61/90/67/446619067.db2.gz SYMOGHXICUUSAF-UAGQMJEPSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000368102133 446643919 /nfs/dbraw/zinc/64/39/19/446643919.db2.gz MMZSIHYTWGWGCN-SMDDNHRTSA-N 2 2 334.445 1.989 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000368102133 446643925 /nfs/dbraw/zinc/64/39/25/446643925.db2.gz MMZSIHYTWGWGCN-SMDDNHRTSA-N 2 2 334.445 1.989 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc[nH+]1 ZINC000371129375 446644880 /nfs/dbraw/zinc/64/48/80/446644880.db2.gz LQDFXBWALMMJJI-CVEARBPZSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]cn1 ZINC000371129375 446644886 /nfs/dbraw/zinc/64/48/86/446644886.db2.gz LQDFXBWALMMJJI-CVEARBPZSA-N 2 2 347.463 1.103 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000434413976 446645197 /nfs/dbraw/zinc/64/51/97/446645197.db2.gz AVAPCAWTSYHQDW-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423710017 446652158 /nfs/dbraw/zinc/65/21/58/446652158.db2.gz JQDVJXLRSOSTBQ-INIZCTEOSA-N 2 2 337.464 1.565 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000418733903 446658739 /nfs/dbraw/zinc/65/87/39/446658739.db2.gz RRYSDRNTKKIRLX-CQSZACIVSA-N 2 2 334.468 1.477 20 0 EDADLP CCn1c(C)nnc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375234541 446660934 /nfs/dbraw/zinc/66/09/34/446660934.db2.gz RITZGVCNFKEUPT-UHFFFAOYSA-N 2 2 334.512 1.456 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000376703119 446662013 /nfs/dbraw/zinc/66/20/13/446662013.db2.gz ZKQDBMMWEQKZGK-ROUUACIJSA-N 2 2 337.508 1.964 20 0 EDADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H](O)COCc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000375245287 446666702 /nfs/dbraw/zinc/66/67/02/446666702.db2.gz QGKBXZMPPSLLGE-IKGGRYGDSA-N 2 2 348.443 1.319 20 0 EDADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H](O)COCc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000375245287 446666710 /nfs/dbraw/zinc/66/67/10/446666710.db2.gz QGKBXZMPPSLLGE-IKGGRYGDSA-N 2 2 348.443 1.319 20 0 EDADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H](O)COCc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000375245287 446666720 /nfs/dbraw/zinc/66/67/20/446666720.db2.gz QGKBXZMPPSLLGE-IKGGRYGDSA-N 2 2 348.443 1.319 20 0 EDADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H](O)COCc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000375245287 446666732 /nfs/dbraw/zinc/66/67/32/446666732.db2.gz QGKBXZMPPSLLGE-IKGGRYGDSA-N 2 2 348.443 1.319 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000376645403 446624127 /nfs/dbraw/zinc/62/41/27/446624127.db2.gz KSXOXKSODZDBSD-SFHVURJKSA-N 2 2 347.459 1.567 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000376645403 446624131 /nfs/dbraw/zinc/62/41/31/446624131.db2.gz KSXOXKSODZDBSD-SFHVURJKSA-N 2 2 347.459 1.567 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418768131 446687435 /nfs/dbraw/zinc/68/74/35/446687435.db2.gz QSVCJJDPTHSSFZ-MJBXVCDLSA-N 2 2 330.423 1.499 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418768131 446687439 /nfs/dbraw/zinc/68/74/39/446687439.db2.gz QSVCJJDPTHSSFZ-MJBXVCDLSA-N 2 2 330.423 1.499 20 0 EDADLP CCN(C)C(=O)CC[N@@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000371227722 446703273 /nfs/dbraw/zinc/70/32/73/446703273.db2.gz FGUZAYILFUNGBZ-UHFFFAOYSA-N 2 2 335.496 1.840 20 0 EDADLP CCN(C)C(=O)CC[N@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000371227722 446703276 /nfs/dbraw/zinc/70/32/76/446703276.db2.gz FGUZAYILFUNGBZ-UHFFFAOYSA-N 2 2 335.496 1.840 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423829557 446719430 /nfs/dbraw/zinc/71/94/30/446719430.db2.gz PFUZMLJBTQFCQB-RBSFLKMASA-N 2 2 341.814 1.329 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423829557 446719435 /nfs/dbraw/zinc/71/94/35/446719435.db2.gz PFUZMLJBTQFCQB-RBSFLKMASA-N 2 2 341.814 1.329 20 0 EDADLP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423832139 446720862 /nfs/dbraw/zinc/72/08/62/446720862.db2.gz RNYRCIVXUDZHQQ-GOEBONIOSA-N 2 2 327.375 1.062 20 0 EDADLP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423832139 446720869 /nfs/dbraw/zinc/72/08/69/446720869.db2.gz RNYRCIVXUDZHQQ-GOEBONIOSA-N 2 2 327.375 1.062 20 0 EDADLP CCC[C@@H](C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)[NH+](C)C ZINC000376805295 446729452 /nfs/dbraw/zinc/72/94/52/446729452.db2.gz UOLDGKLBOCWUIO-HNNXBMFYSA-N 2 2 340.512 1.166 20 0 EDADLP CCC[C@@H](C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)[NH+](C)C ZINC000376805295 446729458 /nfs/dbraw/zinc/72/94/58/446729458.db2.gz UOLDGKLBOCWUIO-HNNXBMFYSA-N 2 2 340.512 1.166 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000371294545 446750278 /nfs/dbraw/zinc/75/02/78/446750278.db2.gz LOGUOKPNXDQZPG-FLXSYLCISA-N 2 2 337.508 1.674 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000371294545 446750282 /nfs/dbraw/zinc/75/02/82/446750282.db2.gz LOGUOKPNXDQZPG-FLXSYLCISA-N 2 2 337.508 1.674 20 0 EDADLP CC1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000371292437 446750291 /nfs/dbraw/zinc/75/02/91/446750291.db2.gz BXKPOOXVIGJDPU-YXYCDRMUSA-N 2 2 337.508 1.865 20 0 EDADLP CC1CCC(NC(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000371292437 446750299 /nfs/dbraw/zinc/75/02/99/446750299.db2.gz BXKPOOXVIGJDPU-YXYCDRMUSA-N 2 2 337.508 1.865 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371305638 446762006 /nfs/dbraw/zinc/76/20/06/446762006.db2.gz ZOJPOFYNRKOYQG-WMZOPIPTSA-N 2 2 336.524 1.393 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)NC2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371305638 446762012 /nfs/dbraw/zinc/76/20/12/446762012.db2.gz ZOJPOFYNRKOYQG-WMZOPIPTSA-N 2 2 336.524 1.393 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423913240 446763663 /nfs/dbraw/zinc/76/36/63/446763663.db2.gz JOPKIJKCLFETEH-FHIRATQRSA-N 2 2 337.464 1.871 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423913240 446763669 /nfs/dbraw/zinc/76/36/69/446763669.db2.gz JOPKIJKCLFETEH-FHIRATQRSA-N 2 2 337.464 1.871 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423924675 446775298 /nfs/dbraw/zinc/77/52/98/446775298.db2.gz DUVKNACPUYRDMG-ZOBUZTSGSA-N 2 2 346.475 1.761 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423928735 446780411 /nfs/dbraw/zinc/78/04/11/446780411.db2.gz HSGVJRLKGKSQGL-BZSNNMDCSA-N 2 2 333.476 1.890 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423928735 446780417 /nfs/dbraw/zinc/78/04/17/446780417.db2.gz HSGVJRLKGKSQGL-BZSNNMDCSA-N 2 2 333.476 1.890 20 0 EDADLP O=C([C@@H]1CSC[NH2+]1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423929615 446780825 /nfs/dbraw/zinc/78/08/25/446780825.db2.gz MHFZAMNCBWLZMK-KBPBESRZSA-N 2 2 348.472 1.324 20 0 EDADLP C[NH2+]CCCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000423930717 446782650 /nfs/dbraw/zinc/78/26/50/446782650.db2.gz WMKNUVXWPXGJIP-KBPBESRZSA-N 2 2 326.416 1.353 20 0 EDADLP C[NH2+]CCCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000423930717 446782654 /nfs/dbraw/zinc/78/26/54/446782654.db2.gz WMKNUVXWPXGJIP-KBPBESRZSA-N 2 2 326.416 1.353 20 0 EDADLP CCCCCNC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371349534 446795737 /nfs/dbraw/zinc/79/57/37/446795737.db2.gz JRCXJGNCBICCMB-UHFFFAOYSA-N 2 2 338.540 1.783 20 0 EDADLP C[N@H+](CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000423954329 446796048 /nfs/dbraw/zinc/79/60/48/446796048.db2.gz RWLDBEDPRNMBBL-UHFFFAOYSA-N 2 2 344.503 1.451 20 0 EDADLP C[N@@H+](CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000423954329 446796057 /nfs/dbraw/zinc/79/60/57/446796057.db2.gz RWLDBEDPRNMBBL-UHFFFAOYSA-N 2 2 344.503 1.451 20 0 EDADLP C[N@H+](CC(=O)NC1CCC([NH+]2CCNCC2)CC1)Cc1ccccc1 ZINC000423954329 446796069 /nfs/dbraw/zinc/79/60/69/446796069.db2.gz RWLDBEDPRNMBBL-UHFFFAOYSA-N 2 2 344.503 1.451 20 0 EDADLP C[N@@H+](CC(=O)NC1CCC([NH+]2CCNCC2)CC1)Cc1ccccc1 ZINC000423954329 446796079 /nfs/dbraw/zinc/79/60/79/446796079.db2.gz RWLDBEDPRNMBBL-UHFFFAOYSA-N 2 2 344.503 1.451 20 0 EDADLP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000424037316 446828547 /nfs/dbraw/zinc/82/85/47/446828547.db2.gz GMCQCKUOVCMZGT-MSOLQXFVSA-N 2 2 349.519 1.866 20 0 EDADLP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000424037316 446828552 /nfs/dbraw/zinc/82/85/52/446828552.db2.gz GMCQCKUOVCMZGT-MSOLQXFVSA-N 2 2 349.519 1.866 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)[NH+](C)C ZINC000454307662 446840571 /nfs/dbraw/zinc/84/05/71/446840571.db2.gz BLVDOPAKSHMIJY-RRFJBIMHSA-N 2 2 349.479 1.445 20 0 EDADLP C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000412040805 446803068 /nfs/dbraw/zinc/80/30/68/446803068.db2.gz KQGNQAAXVOYFTC-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000412040805 446803075 /nfs/dbraw/zinc/80/30/75/446803075.db2.gz KQGNQAAXVOYFTC-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1[NH+](C)C ZINC000371448425 446864096 /nfs/dbraw/zinc/86/40/96/446864096.db2.gz RIVYZQRGLGUJAO-YESZJQIVSA-N 2 2 348.516 1.550 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C[C@@H]1[NH+](C)C ZINC000371448425 446864101 /nfs/dbraw/zinc/86/41/01/446864101.db2.gz RIVYZQRGLGUJAO-YESZJQIVSA-N 2 2 348.516 1.550 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(NC=O)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371461293 446871413 /nfs/dbraw/zinc/87/14/13/446871413.db2.gz WVWNYEODOYGTHR-OAHLLOKOSA-N 2 2 344.459 1.495 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(NC=O)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371461293 446871420 /nfs/dbraw/zinc/87/14/20/446871420.db2.gz WVWNYEODOYGTHR-OAHLLOKOSA-N 2 2 344.459 1.495 20 0 EDADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420919883 446890329 /nfs/dbraw/zinc/89/03/29/446890329.db2.gz ITICIMFLHCIMSS-IBGZPJMESA-N 2 2 345.487 1.962 20 0 EDADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420919883 446890335 /nfs/dbraw/zinc/89/03/35/446890335.db2.gz ITICIMFLHCIMSS-IBGZPJMESA-N 2 2 345.487 1.962 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C(N)=O)C1 ZINC000420923563 446891964 /nfs/dbraw/zinc/89/19/64/446891964.db2.gz QNIGZOIQALFLDV-YJBOKZPZSA-N 2 2 331.460 1.605 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C(N)=O)C1 ZINC000420923563 446891969 /nfs/dbraw/zinc/89/19/69/446891969.db2.gz QNIGZOIQALFLDV-YJBOKZPZSA-N 2 2 331.460 1.605 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H](CC)O1 ZINC000420966167 446935110 /nfs/dbraw/zinc/93/51/10/446935110.db2.gz ZHRMTCRIFJFIJU-CALCHBBNSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H](CC)O1 ZINC000420966167 446935114 /nfs/dbraw/zinc/93/51/14/446935114.db2.gz ZHRMTCRIFJFIJU-CALCHBBNSA-N 2 2 325.497 1.865 20 0 EDADLP O=C1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2(CCC2)N1 ZINC000420966101 446935262 /nfs/dbraw/zinc/93/52/62/446935262.db2.gz QLAGZCFAUBGTEG-SFHVURJKSA-N 2 2 343.471 1.810 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442765129 446957255 /nfs/dbraw/zinc/95/72/55/446957255.db2.gz VAZIVHDBUYFOIV-PBWFPOADSA-N 2 2 333.432 1.857 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442765129 446957258 /nfs/dbraw/zinc/95/72/58/446957258.db2.gz VAZIVHDBUYFOIV-PBWFPOADSA-N 2 2 333.432 1.857 20 0 EDADLP COC(=O)c1cc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)n(C)c1C ZINC000368691504 447042145 /nfs/dbraw/zinc/04/21/45/447042145.db2.gz FOVGIWJCQGDBLW-UHFFFAOYSA-N 2 2 339.399 1.991 20 0 EDADLP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnc(N3CCOCC3)s1)CCC2 ZINC000368693356 447043591 /nfs/dbraw/zinc/04/35/91/447043591.db2.gz HIEARLVCHKYURV-CYBMUJFWSA-N 2 2 333.461 1.843 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375877934 447117362 /nfs/dbraw/zinc/11/73/62/447117362.db2.gz UGURWMHMKZKCKT-GDBMZVCRSA-N 2 2 336.480 1.382 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000375877934 447117367 /nfs/dbraw/zinc/11/73/67/447117367.db2.gz UGURWMHMKZKCKT-GDBMZVCRSA-N 2 2 336.480 1.382 20 0 EDADLP CCc1noc(C)c1C[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000375877934 447117372 /nfs/dbraw/zinc/11/73/72/447117372.db2.gz UGURWMHMKZKCKT-GDBMZVCRSA-N 2 2 336.480 1.382 20 0 EDADLP CCc1noc(C)c1C[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000375877934 447117377 /nfs/dbraw/zinc/11/73/77/447117377.db2.gz UGURWMHMKZKCKT-GDBMZVCRSA-N 2 2 336.480 1.382 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)s1 ZINC000444189163 447092156 /nfs/dbraw/zinc/09/21/56/447092156.db2.gz VCRYELPWUVMTAQ-AEFFLSMTSA-N 2 2 333.501 1.954 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000455459716 447135620 /nfs/dbraw/zinc/13/56/20/447135620.db2.gz UFOHYCMSCOKERG-CABCVRRESA-N 2 2 337.468 1.620 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000455459716 447135625 /nfs/dbraw/zinc/13/56/25/447135625.db2.gz UFOHYCMSCOKERG-CABCVRRESA-N 2 2 337.468 1.620 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)C1 ZINC000372564506 447145922 /nfs/dbraw/zinc/14/59/22/447145922.db2.gz AJISVUJSJYJMKM-SQNIBIBYSA-N 2 2 335.492 1.430 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)C1 ZINC000372564506 447145928 /nfs/dbraw/zinc/14/59/28/447145928.db2.gz AJISVUJSJYJMKM-SQNIBIBYSA-N 2 2 335.492 1.430 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000372564506 447145930 /nfs/dbraw/zinc/14/59/30/447145930.db2.gz AJISVUJSJYJMKM-SQNIBIBYSA-N 2 2 335.492 1.430 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000372564506 447145933 /nfs/dbraw/zinc/14/59/33/447145933.db2.gz AJISVUJSJYJMKM-SQNIBIBYSA-N 2 2 335.492 1.430 20 0 EDADLP CC[NH+](CC)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000377430230 447127862 /nfs/dbraw/zinc/12/78/62/447127862.db2.gz SVPZNNRMYIWJLC-UHFFFAOYSA-N 2 2 330.436 1.798 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000375958044 447175034 /nfs/dbraw/zinc/17/50/34/447175034.db2.gz ATMSVPIBSTZDMN-KRWDZBQOSA-N 3 2 345.491 1.288 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000375958044 447175038 /nfs/dbraw/zinc/17/50/38/447175038.db2.gz ATMSVPIBSTZDMN-KRWDZBQOSA-N 3 2 345.491 1.288 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000413443986 447184618 /nfs/dbraw/zinc/18/46/18/447184618.db2.gz RVSFZCRPRDUXGF-RBUKOAKNSA-N 2 2 345.487 1.980 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000413443986 447184624 /nfs/dbraw/zinc/18/46/24/447184624.db2.gz RVSFZCRPRDUXGF-RBUKOAKNSA-N 2 2 345.487 1.980 20 0 EDADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3nnc4n3CCOC4)CC2)cc1 ZINC000368991902 447251687 /nfs/dbraw/zinc/25/16/87/447251687.db2.gz VQQKALISZPJNAU-UHFFFAOYSA-N 2 2 341.459 1.605 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377579370 447218956 /nfs/dbraw/zinc/21/89/56/447218956.db2.gz CSMMODYJWDUBBF-JKSUJKDBSA-N 2 2 343.431 1.039 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCC(=O)OC(C)(C)C ZINC000369050145 447287624 /nfs/dbraw/zinc/28/76/24/447287624.db2.gz BYGVANQNYBLJDJ-HZPDHXFCSA-N 2 2 341.496 1.055 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCC(=O)OC(C)(C)C ZINC000369050145 447287630 /nfs/dbraw/zinc/28/76/30/447287630.db2.gz BYGVANQNYBLJDJ-HZPDHXFCSA-N 2 2 341.496 1.055 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000369050145 447287633 /nfs/dbraw/zinc/28/76/33/447287633.db2.gz BYGVANQNYBLJDJ-HZPDHXFCSA-N 2 2 341.496 1.055 20 0 EDADLP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000377693961 447298645 /nfs/dbraw/zinc/29/86/45/447298645.db2.gz CQITUMZMTJVJPI-QZTJIDSGSA-N 2 2 346.475 1.236 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCOC(C)C)CC2)CC1 ZINC000422003393 447303850 /nfs/dbraw/zinc/30/38/50/447303850.db2.gz CUUSYIPIDASSKQ-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCOC(C)C)CC2)CC1 ZINC000422003393 447303856 /nfs/dbraw/zinc/30/38/56/447303856.db2.gz CUUSYIPIDASSKQ-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP CCc1cc(N2CC[NH+]([C@H](C)C(=O)NCCCOC)CC2)cc[nH+]1 ZINC000450312253 447449743 /nfs/dbraw/zinc/44/97/43/447449743.db2.gz GQCFIZFYQWWUHH-OAHLLOKOSA-N 2 2 334.464 1.307 20 0 EDADLP Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000415511444 447488948 /nfs/dbraw/zinc/48/89/48/447488948.db2.gz OZJNYKVANNNIJI-LBPRGKRZSA-N 2 2 342.399 1.832 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419961662 447516776 /nfs/dbraw/zinc/51/67/76/447516776.db2.gz SUUDTPOPTTXVPG-GJZGRUSLSA-N 2 2 349.479 1.446 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)C2 ZINC000419997179 447535481 /nfs/dbraw/zinc/53/54/81/447535481.db2.gz LOHBURAISHAYRN-ACJLOTCBSA-N 2 2 336.480 1.457 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)CC2 ZINC000419997179 447535485 /nfs/dbraw/zinc/53/54/85/447535485.db2.gz LOHBURAISHAYRN-ACJLOTCBSA-N 2 2 336.480 1.457 20 0 EDADLP CC[N@H+](CCNC(=O)[C@H]1COCC[NH+]1CC)CCC(F)(F)F ZINC000427253970 447569308 /nfs/dbraw/zinc/56/93/08/447569308.db2.gz UZPRJYSKMVNNCK-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@H]1COCC[NH+]1CC)CCC(F)(F)F ZINC000427253970 447569312 /nfs/dbraw/zinc/56/93/12/447569312.db2.gz UZPRJYSKMVNNCK-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP CC[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1CC)CCC(F)(F)F ZINC000427253970 447569319 /nfs/dbraw/zinc/56/93/19/447569319.db2.gz UZPRJYSKMVNNCK-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP CC[NH+](CCNC(=O)[C@H]1COCC[N@H+]1CC)CCC(F)(F)F ZINC000427253970 447569322 /nfs/dbraw/zinc/56/93/22/447569322.db2.gz UZPRJYSKMVNNCK-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP CCCOc1cccc2c(N(C)CC(=O)N3CC[NH2+]CC3)cc[nH+]c12 ZINC000420146641 447635619 /nfs/dbraw/zinc/63/56/19/447635619.db2.gz ARZATEZVVARJJA-UHFFFAOYSA-N 2 2 342.443 1.892 20 0 EDADLP COc1cccc2c(N3CCC[C@@H](C(=O)NCC[NH3+])C3)cc[nH+]c12 ZINC000420164628 447649577 /nfs/dbraw/zinc/64/95/77/447649577.db2.gz FTMBDRNWDGPVIE-CYBMUJFWSA-N 2 2 328.416 1.535 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000495864762 447608822 /nfs/dbraw/zinc/60/88/22/447608822.db2.gz IYWVWOKGHUEUEK-OWCLPIDISA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000495864762 447608826 /nfs/dbraw/zinc/60/88/26/447608826.db2.gz IYWVWOKGHUEUEK-OWCLPIDISA-N 2 2 341.496 1.869 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C[C@@H]1C ZINC000422595385 447661540 /nfs/dbraw/zinc/66/15/40/447661540.db2.gz YVWPWSBSUUDTAA-RDJZCZTQSA-N 2 2 346.475 1.646 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C[C@@H]1C ZINC000422595385 447661546 /nfs/dbraw/zinc/66/15/46/447661546.db2.gz YVWPWSBSUUDTAA-RDJZCZTQSA-N 2 2 346.475 1.646 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000422633825 447680251 /nfs/dbraw/zinc/68/02/51/447680251.db2.gz IRGJHPKNYBKHGS-YCPHGPKFSA-N 2 2 346.475 1.632 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000422633825 447680257 /nfs/dbraw/zinc/68/02/57/447680257.db2.gz IRGJHPKNYBKHGS-YCPHGPKFSA-N 2 2 346.475 1.632 20 0 EDADLP COc1cccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422702862 447720545 /nfs/dbraw/zinc/72/05/45/447720545.db2.gz GDSOKBJQXBIOAS-IPELMVKDSA-N 2 2 331.460 1.631 20 0 EDADLP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000422711732 447724269 /nfs/dbraw/zinc/72/42/69/447724269.db2.gz GABFIVVVQSRBAG-UHFFFAOYSA-N 2 2 325.478 1.605 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422713855 447725399 /nfs/dbraw/zinc/72/53/99/447725399.db2.gz KJGJSCFWHYFIQH-GUDVDZBRSA-N 3 2 343.519 1.844 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)C1C[NH2+]C1 ZINC000422723571 447728849 /nfs/dbraw/zinc/72/88/49/447728849.db2.gz RVNLECVRPIBEPL-LBPRGKRZSA-N 2 2 325.478 1.461 20 0 EDADLP CN(C)[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000422743124 447736152 /nfs/dbraw/zinc/73/61/52/447736152.db2.gz HYLOINHRBITGJI-RYRKJORJSA-N 2 2 339.430 1.924 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000422746066 447737046 /nfs/dbraw/zinc/73/70/46/447737046.db2.gz NHGLQIGOGUBNJC-DVOMOZLQSA-N 2 2 327.419 1.924 20 0 EDADLP c1cnn(Cc2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)c1 ZINC000422805881 447754796 /nfs/dbraw/zinc/75/47/96/447754796.db2.gz MNGBUZBUDOSZBQ-RTBURBONSA-N 2 2 326.444 1.788 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000422814022 447757050 /nfs/dbraw/zinc/75/70/50/447757050.db2.gz SXAQUMZFXYEPEZ-IAGOWNOFSA-N 2 2 328.416 1.315 20 0 EDADLP CC[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422824687 447760105 /nfs/dbraw/zinc/76/01/05/447760105.db2.gz HVZURPCKWBTDLX-ZWKOTPCHSA-N 2 2 346.523 1.499 20 0 EDADLP CC[C@H](NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422824687 447760114 /nfs/dbraw/zinc/76/01/14/447760114.db2.gz HVZURPCKWBTDLX-ZWKOTPCHSA-N 2 2 346.523 1.499 20 0 EDADLP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422829328 447762672 /nfs/dbraw/zinc/76/26/72/447762672.db2.gz HHKCLNSYUKLBGA-MOPGFXCFSA-N 2 2 326.444 1.788 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422843022 447766488 /nfs/dbraw/zinc/76/64/88/447766488.db2.gz GSGTURPAYNVLAV-QFBILLFUSA-N 2 2 346.519 1.525 20 0 EDADLP CCCNC(=O)CN1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422843022 447766494 /nfs/dbraw/zinc/76/64/94/447766494.db2.gz GSGTURPAYNVLAV-QFBILLFUSA-N 2 2 346.519 1.525 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000430592006 447781572 /nfs/dbraw/zinc/78/15/72/447781572.db2.gz LLGQNLXUFAYCHQ-ZIAGYGMSSA-N 2 2 332.448 1.665 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000430592006 447781573 /nfs/dbraw/zinc/78/15/73/447781573.db2.gz LLGQNLXUFAYCHQ-ZIAGYGMSSA-N 2 2 332.448 1.665 20 0 EDADLP CN(Cc1cc[nH]n1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000430708804 447783221 /nfs/dbraw/zinc/78/32/21/447783221.db2.gz UZHTURWFYCAFDJ-KRWDZBQOSA-N 2 2 338.415 1.183 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc(C)[nH+]1 ZINC000422970935 447783987 /nfs/dbraw/zinc/78/39/87/447783987.db2.gz HOOPGPZQUZWPBX-OAHLLOKOSA-N 2 2 332.448 1.209 20 0 EDADLP COC(=O)COc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422983673 447787100 /nfs/dbraw/zinc/78/71/00/447787100.db2.gz UMOOGOIBCMQHLE-FUHWJXTLSA-N 2 2 334.416 1.095 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000423107030 447806122 /nfs/dbraw/zinc/80/61/22/447806122.db2.gz KIDRRLLMXPZDON-ZIAGYGMSSA-N 2 2 331.416 1.029 20 0 EDADLP Cc1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)nn1C ZINC000487429743 447832329 /nfs/dbraw/zinc/83/23/29/447832329.db2.gz KBXCUTOOCWDJED-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1cc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)nn1C ZINC000487429743 447832332 /nfs/dbraw/zinc/83/23/32/447832332.db2.gz KBXCUTOOCWDJED-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496653344 447841465 /nfs/dbraw/zinc/84/14/65/447841465.db2.gz BWZIMSRKCUTPQM-CXAGYDPISA-N 2 2 338.452 1.485 20 0 EDADLP COc1ccccc1C1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000569695214 447869991 /nfs/dbraw/zinc/86/99/91/447869991.db2.gz OUKQZFVVAYELDJ-AWEZNQCLSA-N 2 2 332.448 1.011 20 0 EDADLP COc1ccccc1C1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000569695214 447869997 /nfs/dbraw/zinc/86/99/97/447869997.db2.gz OUKQZFVVAYELDJ-AWEZNQCLSA-N 2 2 332.448 1.011 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000523441768 447886533 /nfs/dbraw/zinc/88/65/33/447886533.db2.gz NWIXWRWOHTUNMB-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000523441768 447886540 /nfs/dbraw/zinc/88/65/40/447886540.db2.gz NWIXWRWOHTUNMB-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000523441768 447886543 /nfs/dbraw/zinc/88/65/43/447886543.db2.gz NWIXWRWOHTUNMB-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000523441768 447886549 /nfs/dbraw/zinc/88/65/49/447886549.db2.gz NWIXWRWOHTUNMB-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000523440741 447887019 /nfs/dbraw/zinc/88/70/19/447887019.db2.gz ZAVMDFFUDYBICZ-KRWDZBQOSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000523440741 447887022 /nfs/dbraw/zinc/88/70/22/447887022.db2.gz ZAVMDFFUDYBICZ-KRWDZBQOSA-N 2 2 345.487 1.736 20 0 EDADLP Cc1nc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490107097 447888297 /nfs/dbraw/zinc/88/82/97/447888297.db2.gz LFJJVNHJSVEKMU-BBRMVZONSA-N 2 2 326.448 2.321 20 0 EDADLP Cc1nc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490107097 447888306 /nfs/dbraw/zinc/88/83/06/447888306.db2.gz LFJJVNHJSVEKMU-BBRMVZONSA-N 2 2 326.448 2.321 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000550682145 447895630 /nfs/dbraw/zinc/89/56/30/447895630.db2.gz WFIGMEQNDAMCMY-UHFFFAOYSA-N 2 2 342.852 1.706 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000550682145 447895634 /nfs/dbraw/zinc/89/56/34/447895634.db2.gz WFIGMEQNDAMCMY-UHFFFAOYSA-N 2 2 342.852 1.706 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C1CC1 ZINC000575847884 447910780 /nfs/dbraw/zinc/91/07/80/447910780.db2.gz RQDTTZANGAPDNG-HNNXBMFYSA-N 2 2 329.404 1.885 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000570127830 447948727 /nfs/dbraw/zinc/94/87/27/447948727.db2.gz ILMCMRZEGNXWRB-NVXWUHKLSA-N 2 2 344.459 1.601 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000569957133 447927111 /nfs/dbraw/zinc/92/71/11/447927111.db2.gz MFXLYVQWZGLAMO-VYDXJSESSA-N 2 2 334.464 1.163 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000576135239 447982470 /nfs/dbraw/zinc/98/24/70/447982470.db2.gz YNFUCODMQNYVBQ-NCRRVARUSA-N 2 2 344.459 1.015 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3COCC3(C)C)CC2)CC1 ZINC000576201353 447995424 /nfs/dbraw/zinc/99/54/24/447995424.db2.gz BYXZASOLMNFJEM-INIZCTEOSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496881187 447997438 /nfs/dbraw/zinc/99/74/38/447997438.db2.gz GLKKOBFPXDBZNO-VNQPRFMTSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496881187 447997442 /nfs/dbraw/zinc/99/74/42/447997442.db2.gz GLKKOBFPXDBZNO-VNQPRFMTSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496881187 447997444 /nfs/dbraw/zinc/99/74/44/447997444.db2.gz GLKKOBFPXDBZNO-VNQPRFMTSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496881187 447997446 /nfs/dbraw/zinc/99/74/46/447997446.db2.gz GLKKOBFPXDBZNO-VNQPRFMTSA-N 2 2 341.496 1.677 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496885544 448001935 /nfs/dbraw/zinc/00/19/35/448001935.db2.gz RBOPBCLPKJERJQ-PBHICJAKSA-N 2 2 329.485 1.726 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496885544 448001938 /nfs/dbraw/zinc/00/19/38/448001938.db2.gz RBOPBCLPKJERJQ-PBHICJAKSA-N 2 2 329.485 1.726 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC(n4cc[nH+]c4)C3)cc2)CC1 ZINC000530824476 447965631 /nfs/dbraw/zinc/96/56/31/447965631.db2.gz JYFFNXGWXALXQI-UHFFFAOYSA-N 2 2 339.443 1.722 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000497712320 448072899 /nfs/dbraw/zinc/07/28/99/448072899.db2.gz FXDYKSGOTADDPO-SCFUHWHPSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000497712320 448072905 /nfs/dbraw/zinc/07/29/05/448072905.db2.gz FXDYKSGOTADDPO-SCFUHWHPSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000526058340 448089848 /nfs/dbraw/zinc/08/98/48/448089848.db2.gz CPQCHRAMCHELMU-AWEZNQCLSA-N 2 2 349.456 1.463 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@@H](Cc2ccccc2)C[NH+](C)C)no1 ZINC000555911430 448097428 /nfs/dbraw/zinc/09/74/28/448097428.db2.gz BPFPGGOXKOVKEO-INIZCTEOSA-N 2 2 330.432 2.074 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000556684110 448131330 /nfs/dbraw/zinc/13/13/30/448131330.db2.gz SJAYDLFCVUKJET-KRWDZBQOSA-N 2 2 343.475 1.964 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000556684110 448131336 /nfs/dbraw/zinc/13/13/36/448131336.db2.gz SJAYDLFCVUKJET-KRWDZBQOSA-N 2 2 343.475 1.964 20 0 EDADLP COCCCC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000576807787 448143781 /nfs/dbraw/zinc/14/37/81/448143781.db2.gz HLGQBDMUHQSNPE-ROUUACIJSA-N 2 2 348.491 1.829 20 0 EDADLP COCCCC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000576807787 448143783 /nfs/dbraw/zinc/14/37/83/448143783.db2.gz HLGQBDMUHQSNPE-ROUUACIJSA-N 2 2 348.491 1.829 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898957 448166963 /nfs/dbraw/zinc/16/69/63/448166963.db2.gz UOCURUMSUWSXOE-QAPCUYQASA-N 2 2 347.463 1.199 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898957 448166966 /nfs/dbraw/zinc/16/69/66/448166966.db2.gz UOCURUMSUWSXOE-QAPCUYQASA-N 2 2 347.463 1.199 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898957 448166972 /nfs/dbraw/zinc/16/69/72/448166972.db2.gz UOCURUMSUWSXOE-QAPCUYQASA-N 2 2 347.463 1.199 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000576898957 448166976 /nfs/dbraw/zinc/16/69/76/448166976.db2.gz UOCURUMSUWSXOE-QAPCUYQASA-N 2 2 347.463 1.199 20 0 EDADLP C[C@@H](COc1ccc(F)cc1F)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000514849083 448213085 /nfs/dbraw/zinc/21/30/85/448213085.db2.gz CSQKLXAKWHFPFE-AAEUAGOBSA-N 2 2 342.390 1.016 20 0 EDADLP C[C@@H](COc1ccc(F)cc1F)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000514849083 448213087 /nfs/dbraw/zinc/21/30/87/448213087.db2.gz CSQKLXAKWHFPFE-AAEUAGOBSA-N 2 2 342.390 1.016 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)C1CC1 ZINC000577172072 448224202 /nfs/dbraw/zinc/22/42/02/448224202.db2.gz HGBBSCPZWXCNOA-WCQYABFASA-N 2 2 339.386 1.115 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)C1CC1 ZINC000577172072 448224203 /nfs/dbraw/zinc/22/42/03/448224203.db2.gz HGBBSCPZWXCNOA-WCQYABFASA-N 2 2 339.386 1.115 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000577231027 448244039 /nfs/dbraw/zinc/24/40/39/448244039.db2.gz DURADNMMXVKTQJ-UHFFFAOYSA-N 2 2 328.254 1.781 20 0 EDADLP CCN(C(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000515178084 448269209 /nfs/dbraw/zinc/26/92/09/448269209.db2.gz FTTUIFOZUWHMGF-HNNXBMFYSA-N 2 2 327.432 1.973 20 0 EDADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000515404094 448308352 /nfs/dbraw/zinc/30/83/52/448308352.db2.gz LZWLFXJKKZSZSX-NVXWUHKLSA-N 2 2 326.444 1.917 20 0 EDADLP CCOC(=O)c1c(F)cccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000591296409 448310654 /nfs/dbraw/zinc/31/06/54/448310654.db2.gz IJPQRGSTZOAYBE-LLVKDONJSA-N 2 2 338.383 1.109 20 0 EDADLP CCOC(=O)c1c(F)cccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000591296409 448310659 /nfs/dbraw/zinc/31/06/59/448310659.db2.gz IJPQRGSTZOAYBE-LLVKDONJSA-N 2 2 338.383 1.109 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000591178453 448280155 /nfs/dbraw/zinc/28/01/55/448280155.db2.gz LPQGXPDXSZSQPF-KGLIPLIRSA-N 2 2 339.480 1.249 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000591178453 448280159 /nfs/dbraw/zinc/28/01/59/448280159.db2.gz LPQGXPDXSZSQPF-KGLIPLIRSA-N 2 2 339.480 1.249 20 0 EDADLP Cc1cccc(C)c1OCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572149003 448301817 /nfs/dbraw/zinc/30/18/17/448301817.db2.gz NFFIGWKKJYRDJB-FGTMMUONSA-N 2 2 336.476 1.742 20 0 EDADLP Cc1cccc(C)c1OCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572149003 448301824 /nfs/dbraw/zinc/30/18/24/448301824.db2.gz NFFIGWKKJYRDJB-FGTMMUONSA-N 2 2 336.476 1.742 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000515810946 448352652 /nfs/dbraw/zinc/35/26/52/448352652.db2.gz KPXLMAPCFOWIEU-GDBMZVCRSA-N 2 2 347.463 1.097 20 0 EDADLP CCCCn1cc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000572393422 448367721 /nfs/dbraw/zinc/36/77/21/448367721.db2.gz JGTTZAORKIASMT-RVKKMQEKSA-N 2 2 338.496 1.551 20 0 EDADLP CCCCn1cc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000572393422 448367724 /nfs/dbraw/zinc/36/77/24/448367724.db2.gz JGTTZAORKIASMT-RVKKMQEKSA-N 2 2 338.496 1.551 20 0 EDADLP O=C(CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)NC(=O)NCc1ccccc1 ZINC000591449577 448367971 /nfs/dbraw/zinc/36/79/71/448367971.db2.gz WWXIAHSHZGJTRH-CVEARBPZSA-N 2 2 330.432 1.086 20 0 EDADLP O=C(CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)NC(=O)NCc1ccccc1 ZINC000591449577 448367976 /nfs/dbraw/zinc/36/79/76/448367976.db2.gz WWXIAHSHZGJTRH-CVEARBPZSA-N 2 2 330.432 1.086 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c[nH+]1 ZINC000527657676 448332772 /nfs/dbraw/zinc/33/27/72/448332772.db2.gz AQECRALZLHSQTA-INIZCTEOSA-N 2 2 331.464 1.964 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c[nH+]1 ZINC000527657676 448332778 /nfs/dbraw/zinc/33/27/78/448332778.db2.gz AQECRALZLHSQTA-INIZCTEOSA-N 2 2 331.464 1.964 20 0 EDADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000515638043 448336610 /nfs/dbraw/zinc/33/66/10/448336610.db2.gz OLFSQCFKHXDZOJ-GDBMZVCRSA-N 2 2 340.489 1.284 20 0 EDADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000515638043 448336615 /nfs/dbraw/zinc/33/66/15/448336615.db2.gz OLFSQCFKHXDZOJ-GDBMZVCRSA-N 2 2 340.489 1.284 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])Oc1ccccc1F ZINC000572499682 448395840 /nfs/dbraw/zinc/39/58/40/448395840.db2.gz WQUSOSWELZEWKQ-KGLIPLIRSA-N 2 2 338.427 1.267 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])Oc1ccccc1F ZINC000572499682 448395852 /nfs/dbraw/zinc/39/58/52/448395852.db2.gz WQUSOSWELZEWKQ-KGLIPLIRSA-N 2 2 338.427 1.267 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000527951340 448397359 /nfs/dbraw/zinc/39/73/59/448397359.db2.gz KJKDDXJWIWATNS-HIFRSBDPSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000527951340 448397364 /nfs/dbraw/zinc/39/73/64/448397364.db2.gz KJKDDXJWIWATNS-HIFRSBDPSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000527951340 448397369 /nfs/dbraw/zinc/39/73/69/448397369.db2.gz KJKDDXJWIWATNS-HIFRSBDPSA-N 2 2 331.464 1.973 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000527951340 448397375 /nfs/dbraw/zinc/39/73/75/448397375.db2.gz KJKDDXJWIWATNS-HIFRSBDPSA-N 2 2 331.464 1.973 20 0 EDADLP C[C@@H]1CCn2ncc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000572526735 448401834 /nfs/dbraw/zinc/40/18/34/448401834.db2.gz KMMQKTGOGUJMBX-OAHLLOKOSA-N 2 2 347.507 1.563 20 0 EDADLP C[C@@H]1CCn2ncc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000572526735 448401839 /nfs/dbraw/zinc/40/18/39/448401839.db2.gz KMMQKTGOGUJMBX-OAHLLOKOSA-N 2 2 347.507 1.563 20 0 EDADLP Cc1ccc(C)c(OCCCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000582904056 448374235 /nfs/dbraw/zinc/37/42/35/448374235.db2.gz WORYEVXAUQXPIV-QGZVFWFLSA-N 2 2 333.476 1.954 20 0 EDADLP Cc1ccc(C)c(OCCCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000582904056 448374242 /nfs/dbraw/zinc/37/42/42/448374242.db2.gz WORYEVXAUQXPIV-QGZVFWFLSA-N 2 2 333.476 1.954 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)[C@@H]2C1 ZINC000577744919 448376016 /nfs/dbraw/zinc/37/60/16/448376016.db2.gz CVRLPMCGUSYCEE-JKSUJKDBSA-N 2 2 340.431 1.884 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)[C@@H]2C1 ZINC000577744919 448376019 /nfs/dbraw/zinc/37/60/19/448376019.db2.gz CVRLPMCGUSYCEE-JKSUJKDBSA-N 2 2 340.431 1.884 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000572705479 448441437 /nfs/dbraw/zinc/44/14/37/448441437.db2.gz KRLGXIJIHPEXQC-WBVHZDCISA-N 2 2 325.416 1.766 20 0 EDADLP O=C(C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572725116 448450603 /nfs/dbraw/zinc/45/06/03/448450603.db2.gz VLBJEUOHDGVTEO-CABCVRRESA-N 2 2 345.447 1.160 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000516855556 448481964 /nfs/dbraw/zinc/48/19/64/448481964.db2.gz ASNQDPRCNDWYJJ-GFCCVEGCSA-N 2 2 336.411 1.314 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000516855556 448481966 /nfs/dbraw/zinc/48/19/66/448481966.db2.gz ASNQDPRCNDWYJJ-GFCCVEGCSA-N 2 2 336.411 1.314 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000535205269 448490195 /nfs/dbraw/zinc/49/01/95/448490195.db2.gz HZBDDHDVVPXKPC-HNNXBMFYSA-N 2 2 340.427 1.958 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000535205269 448490198 /nfs/dbraw/zinc/49/01/98/448490198.db2.gz HZBDDHDVVPXKPC-HNNXBMFYSA-N 2 2 340.427 1.958 20 0 EDADLP C[C@@H](NC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000578232643 448492609 /nfs/dbraw/zinc/49/26/09/448492609.db2.gz AXVOTSBPNVIAHI-GNVJSZRZSA-N 2 2 349.519 1.738 20 0 EDADLP O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869292 448515430 /nfs/dbraw/zinc/51/54/30/448515430.db2.gz OPZULRKDRYHDEY-LSDHHAIUSA-N 2 2 345.399 1.689 20 0 EDADLP O[C@@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869292 448515437 /nfs/dbraw/zinc/51/54/37/448515437.db2.gz OPZULRKDRYHDEY-LSDHHAIUSA-N 2 2 345.399 1.689 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000566615055 448520581 /nfs/dbraw/zinc/52/05/81/448520581.db2.gz FGSDTJLEFXGICX-HOJAQTOUSA-N 2 2 348.487 1.832 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000566615055 448520585 /nfs/dbraw/zinc/52/05/85/448520585.db2.gz FGSDTJLEFXGICX-HOJAQTOUSA-N 2 2 348.487 1.832 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000578335152 448521306 /nfs/dbraw/zinc/52/13/06/448521306.db2.gz LAYPMFKLHMCCJI-UHFFFAOYSA-N 2 2 349.504 1.670 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000578335152 448521314 /nfs/dbraw/zinc/52/13/14/448521314.db2.gz LAYPMFKLHMCCJI-UHFFFAOYSA-N 2 2 349.504 1.670 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)[C@@H](C[NH3+])C1 ZINC000572941858 448500498 /nfs/dbraw/zinc/50/04/98/448500498.db2.gz HUSPUZOXGHKKES-ZDUSSCGKSA-N 2 2 332.383 1.118 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)[C@@H](C[NH3+])C1 ZINC000572941858 448500504 /nfs/dbraw/zinc/50/05/04/448500504.db2.gz HUSPUZOXGHKKES-ZDUSSCGKSA-N 2 2 332.383 1.118 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](CO)CC2CCCC2)C[C@@H](C)O1 ZINC000584530389 448559399 /nfs/dbraw/zinc/55/93/99/448559399.db2.gz ZRFNNYYDORGEQT-XYVMCAHJSA-N 2 2 328.497 1.235 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000573132931 448553895 /nfs/dbraw/zinc/55/38/95/448553895.db2.gz NSZRTJUFSHLILV-WMZOPIPTSA-N 2 2 349.475 1.276 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000573132931 448553897 /nfs/dbraw/zinc/55/38/97/448553897.db2.gz NSZRTJUFSHLILV-WMZOPIPTSA-N 2 2 349.475 1.276 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000573132931 448553898 /nfs/dbraw/zinc/55/38/98/448553898.db2.gz NSZRTJUFSHLILV-WMZOPIPTSA-N 2 2 349.475 1.276 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000573132931 448553900 /nfs/dbraw/zinc/55/39/00/448553900.db2.gz NSZRTJUFSHLILV-WMZOPIPTSA-N 2 2 349.475 1.276 20 0 EDADLP O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000517721695 448608415 /nfs/dbraw/zinc/60/84/15/448608415.db2.gz ITJRXXKILCPFBR-ZWKOTPCHSA-N 2 2 326.481 1.493 20 0 EDADLP O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000517721692 448608657 /nfs/dbraw/zinc/60/86/57/448608657.db2.gz ITJRXXKILCPFBR-QZTJIDSGSA-N 2 2 326.481 1.493 20 0 EDADLP C[C@H](C(=O)N(C)C1(C[NH3+])CCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000573375324 448612223 /nfs/dbraw/zinc/61/22/23/448612223.db2.gz UXMQNXVYCQLWSC-OAHLLOKOSA-N 2 2 348.466 1.676 20 0 EDADLP COC(=O)c1nccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000591925424 448585379 /nfs/dbraw/zinc/58/53/79/448585379.db2.gz RGAWGRZHPNCSHM-YIONKMFJSA-N 2 2 345.447 1.010 20 0 EDADLP COC(=O)c1nccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000591925424 448585387 /nfs/dbraw/zinc/58/53/87/448585387.db2.gz RGAWGRZHPNCSHM-YIONKMFJSA-N 2 2 345.447 1.010 20 0 EDADLP O=C1NCCC[C@H]1C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000573302701 448590405 /nfs/dbraw/zinc/59/04/05/448590405.db2.gz YQCOOSHKQHVFAW-JKSUJKDBSA-N 2 2 344.459 1.661 20 0 EDADLP O=C1NCCC[C@H]1C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000573302701 448590408 /nfs/dbraw/zinc/59/04/08/448590408.db2.gz YQCOOSHKQHVFAW-JKSUJKDBSA-N 2 2 344.459 1.661 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000517563210 448594241 /nfs/dbraw/zinc/59/42/41/448594241.db2.gz MVLQVZPKBGFHBW-AWEZNQCLSA-N 2 2 344.415 1.576 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000573317412 448595078 /nfs/dbraw/zinc/59/50/78/448595078.db2.gz HMPQYHQPXCTRBH-BBWFWOEESA-N 2 2 327.513 1.026 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC[C@H](O)C[NH+]2CCOCC2)C1 ZINC000573317412 448595081 /nfs/dbraw/zinc/59/50/81/448595081.db2.gz HMPQYHQPXCTRBH-BBWFWOEESA-N 2 2 327.513 1.026 20 0 EDADLP C[N@H+](CCN1CC[NH+](Cc2cnccn2)CC1)Cc1ccccc1 ZINC000584825349 448644838 /nfs/dbraw/zinc/64/48/38/448644838.db2.gz RDODMZRACONHIJ-UHFFFAOYSA-N 2 2 325.460 1.726 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2cnccn2)CC1)Cc1ccccc1 ZINC000584825349 448644843 /nfs/dbraw/zinc/64/48/43/448644843.db2.gz RDODMZRACONHIJ-UHFFFAOYSA-N 2 2 325.460 1.726 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000578891493 448664081 /nfs/dbraw/zinc/66/40/81/448664081.db2.gz CAQUSCGRTCPXMQ-HOTGVXAUSA-N 2 2 342.867 1.516 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000578891493 448664086 /nfs/dbraw/zinc/66/40/86/448664086.db2.gz CAQUSCGRTCPXMQ-HOTGVXAUSA-N 2 2 342.867 1.516 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000573437930 448626983 /nfs/dbraw/zinc/62/69/83/448626983.db2.gz ROWQXMNSYVINMP-BOFPYLFWSA-N 2 2 332.444 1.701 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000573437930 448626987 /nfs/dbraw/zinc/62/69/87/448626987.db2.gz ROWQXMNSYVINMP-BOFPYLFWSA-N 2 2 332.444 1.701 20 0 EDADLP [NH3+]CC[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C(F)F ZINC000567165940 448627402 /nfs/dbraw/zinc/62/74/02/448627402.db2.gz CXMBSTNTUSCJKL-UONOGXRCSA-N 2 2 343.443 1.875 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cn1cc[nH+]c1 ZINC000579053406 448701578 /nfs/dbraw/zinc/70/15/78/448701578.db2.gz BKUSYOYYDWMVFK-UHFFFAOYSA-N 3 2 347.507 1.538 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cn1ccnc1 ZINC000579053406 448701584 /nfs/dbraw/zinc/70/15/84/448701584.db2.gz BKUSYOYYDWMVFK-UHFFFAOYSA-N 2 2 347.507 1.538 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)N3CC[NH2+]C(C)(C)C3)c2)cc[nH+]1 ZINC000542662941 448717411 /nfs/dbraw/zinc/71/74/11/448717411.db2.gz NZXPOIFTDUAAAP-UHFFFAOYSA-N 2 2 339.443 2.221 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2cc(=O)n3cc(C)ccc3n2)CC1 ZINC000573807780 448720113 /nfs/dbraw/zinc/72/01/13/448720113.db2.gz AZBZEBNIYRWAJR-UHFFFAOYSA-N 2 2 330.432 1.203 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c(C)c1 ZINC000519400514 448765966 /nfs/dbraw/zinc/76/59/66/448765966.db2.gz FYQHCEOLDOODFX-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c(C)c1 ZINC000519400514 448765972 /nfs/dbraw/zinc/76/59/72/448765972.db2.gz FYQHCEOLDOODFX-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000579241569 448751684 /nfs/dbraw/zinc/75/16/84/448751684.db2.gz HLMAPLIPAGVCTE-JYJNAYRXSA-N 2 2 344.496 1.368 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000579241569 448751688 /nfs/dbraw/zinc/75/16/88/448751688.db2.gz HLMAPLIPAGVCTE-JYJNAYRXSA-N 2 2 344.496 1.368 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000579241569 448751691 /nfs/dbraw/zinc/75/16/91/448751691.db2.gz HLMAPLIPAGVCTE-JYJNAYRXSA-N 2 2 344.496 1.368 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000579241569 448751697 /nfs/dbraw/zinc/75/16/97/448751697.db2.gz HLMAPLIPAGVCTE-JYJNAYRXSA-N 2 2 344.496 1.368 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000574084180 448788434 /nfs/dbraw/zinc/78/84/34/448788434.db2.gz ZGHGVOKXIBZQIV-KRWDZBQOSA-N 2 2 337.489 1.512 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000574084180 448788437 /nfs/dbraw/zinc/78/84/37/448788437.db2.gz ZGHGVOKXIBZQIV-KRWDZBQOSA-N 2 2 337.489 1.512 20 0 EDADLP C[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)C1CC([NH3+])C1 ZINC000567990682 448794250 /nfs/dbraw/zinc/79/42/50/448794250.db2.gz WDADBBGUSOEWHA-XUJLQICISA-N 2 2 330.457 1.770 20 0 EDADLP C[N@@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)C1CC([NH3+])C1 ZINC000567990682 448794254 /nfs/dbraw/zinc/79/42/54/448794254.db2.gz WDADBBGUSOEWHA-XUJLQICISA-N 2 2 330.457 1.770 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000586754349 448797729 /nfs/dbraw/zinc/79/77/29/448797729.db2.gz KCXIIOMIQQVFMN-UHFFFAOYSA-N 2 2 342.447 1.855 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000586754349 448797734 /nfs/dbraw/zinc/79/77/34/448797734.db2.gz KCXIIOMIQQVFMN-UHFFFAOYSA-N 2 2 342.447 1.855 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000574260179 448829482 /nfs/dbraw/zinc/82/94/82/448829482.db2.gz OGVZZEZPIBBBRV-JKSUJKDBSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000574260179 448829487 /nfs/dbraw/zinc/82/94/87/448829487.db2.gz OGVZZEZPIBBBRV-JKSUJKDBSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000574260179 448829492 /nfs/dbraw/zinc/82/94/92/448829492.db2.gz OGVZZEZPIBBBRV-JKSUJKDBSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000574260179 448829493 /nfs/dbraw/zinc/82/94/93/448829493.db2.gz OGVZZEZPIBBBRV-JKSUJKDBSA-N 2 2 333.480 1.970 20 0 EDADLP Cc1cc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(C)[nH+]1 ZINC000529341744 448832468 /nfs/dbraw/zinc/83/24/68/448832468.db2.gz KFGGPOXVVIJRBT-GOSISDBHSA-N 2 2 346.475 1.999 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)F ZINC000579611209 448835449 /nfs/dbraw/zinc/83/54/49/448835449.db2.gz PRBQTBINGRRSEH-JQWIXIFHSA-N 2 2 330.354 1.809 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C(F)(F)F ZINC000579611209 448835456 /nfs/dbraw/zinc/83/54/56/448835456.db2.gz PRBQTBINGRRSEH-JQWIXIFHSA-N 2 2 330.354 1.809 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccncc3)CC2)CC1 ZINC000568250785 448844957 /nfs/dbraw/zinc/84/49/57/448844957.db2.gz IXAKAHJTKNBJEQ-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccncc3)CC2)CC1 ZINC000568250785 448844965 /nfs/dbraw/zinc/84/49/65/448844965.db2.gz IXAKAHJTKNBJEQ-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c[nH+]cn1C ZINC000529717845 448935353 /nfs/dbraw/zinc/93/53/53/448935353.db2.gz PUEIIPBZGSRTLS-RDJZCZTQSA-N 2 2 333.480 1.546 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1c[nH+]cn1C ZINC000529717845 448935359 /nfs/dbraw/zinc/93/53/59/448935359.db2.gz PUEIIPBZGSRTLS-RDJZCZTQSA-N 2 2 333.480 1.546 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000568856471 448926676 /nfs/dbraw/zinc/92/66/76/448926676.db2.gz FQGBOPWFHFOOHN-NFAWXSAZSA-N 2 2 337.851 1.802 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000574783033 448956302 /nfs/dbraw/zinc/95/63/02/448956302.db2.gz OLUHQXYQARGIEN-SNVBAGLBSA-N 2 2 332.326 1.534 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000574783033 448956307 /nfs/dbraw/zinc/95/63/07/448956307.db2.gz OLUHQXYQARGIEN-SNVBAGLBSA-N 2 2 332.326 1.534 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)nc(C(C)C)[nH+]1 ZINC000529845218 448983409 /nfs/dbraw/zinc/98/34/09/448983409.db2.gz OTBKRDXMOXJBRO-ZIAGYGMSSA-N 2 2 342.447 1.974 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000521565910 448995234 /nfs/dbraw/zinc/99/52/34/448995234.db2.gz OYXNDHSZNCGKTE-CRAIPNDOSA-N 2 2 342.443 1.597 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000521565910 448995240 /nfs/dbraw/zinc/99/52/40/448995240.db2.gz OYXNDHSZNCGKTE-CRAIPNDOSA-N 2 2 342.443 1.597 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)CCC2 ZINC000574967560 448999982 /nfs/dbraw/zinc/99/99/82/448999982.db2.gz QIXXZWQHGFKTSA-HOTGVXAUSA-N 2 2 349.479 1.215 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000569352558 449010592 /nfs/dbraw/zinc/01/05/92/449010592.db2.gz UOTOQRXGZCXZJU-YFVGIKETSA-N 3 2 327.513 1.167 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000569352558 449010596 /nfs/dbraw/zinc/01/05/96/449010596.db2.gz UOTOQRXGZCXZJU-YFVGIKETSA-N 3 2 327.513 1.167 20 0 EDADLP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000575038566 449018256 /nfs/dbraw/zinc/01/82/56/449018256.db2.gz MLHIIBLFPSUMSX-CGTJXYLNSA-N 2 2 331.460 1.187 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000530025183 449029144 /nfs/dbraw/zinc/02/91/44/449029144.db2.gz PHRWYQOIWBWKOO-AWEZNQCLSA-N 2 2 326.404 1.409 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000530025183 449029150 /nfs/dbraw/zinc/02/91/50/449029150.db2.gz PHRWYQOIWBWKOO-AWEZNQCLSA-N 2 2 326.404 1.409 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000582230595 449043428 /nfs/dbraw/zinc/04/34/28/449043428.db2.gz IJVOEKNVHDTQGV-PMPSAXMXSA-N 2 2 325.416 1.513 20 0 EDADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000575235256 449066018 /nfs/dbraw/zinc/06/60/18/449066018.db2.gz WUXLDDIMYGXLJN-GOSISDBHSA-N 3 2 347.507 1.311 20 0 EDADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000575235256 449066020 /nfs/dbraw/zinc/06/60/20/449066020.db2.gz WUXLDDIMYGXLJN-GOSISDBHSA-N 3 2 347.507 1.311 20 0 EDADLP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000575235256 449066027 /nfs/dbraw/zinc/06/60/27/449066027.db2.gz WUXLDDIMYGXLJN-GOSISDBHSA-N 3 2 347.507 1.311 20 0 EDADLP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000575235256 449066030 /nfs/dbraw/zinc/06/60/30/449066030.db2.gz WUXLDDIMYGXLJN-GOSISDBHSA-N 3 2 347.507 1.311 20 0 EDADLP c1nn(-c2ccccc2)nc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241459 449092013 /nfs/dbraw/zinc/09/20/13/449092013.db2.gz QAAHIXQYAPQRKB-IBGZPJMESA-N 2 2 341.459 1.858 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000575411380 449095966 /nfs/dbraw/zinc/09/59/66/449095966.db2.gz LCCCPZJBZDIAIR-GOSISDBHSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000575411380 449095974 /nfs/dbraw/zinc/09/59/74/449095974.db2.gz LCCCPZJBZDIAIR-GOSISDBHSA-N 2 2 327.432 1.884 20 0 EDADLP CCOC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000590700364 449251458 /nfs/dbraw/zinc/25/14/58/449251458.db2.gz QOBOHUXLCCPYOQ-UHFFFAOYSA-N 2 2 326.400 1.976 20 0 EDADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000596064812 449344285 /nfs/dbraw/zinc/34/42/85/449344285.db2.gz AEDTWOUDIPCQCF-CVEARBPZSA-N 2 2 336.432 1.287 20 0 EDADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000596064812 449344292 /nfs/dbraw/zinc/34/42/92/449344292.db2.gz AEDTWOUDIPCQCF-CVEARBPZSA-N 2 2 336.432 1.287 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000594133415 449364696 /nfs/dbraw/zinc/36/46/96/449364696.db2.gz OTVOERBLXHKCFF-IKGGRYGDSA-N 2 2 339.528 1.184 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747810 449532022 /nfs/dbraw/zinc/53/20/22/449532022.db2.gz LBFXCRIEKJSYSW-PJSAGSTRSA-N 2 2 348.422 1.794 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747810 449532029 /nfs/dbraw/zinc/53/20/29/449532029.db2.gz LBFXCRIEKJSYSW-PJSAGSTRSA-N 2 2 348.422 1.794 20 0 EDADLP Cc1cc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)n(C2CC[NH+](C)CC2)n1 ZINC000612049839 449539782 /nfs/dbraw/zinc/53/97/82/449539782.db2.gz MHMUSDJZXQLHOV-AWEZNQCLSA-N 2 2 342.447 1.856 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[N@@H+]3CC[C@H](O)C3)cn2c1 ZINC000600805943 449554004 /nfs/dbraw/zinc/55/40/04/449554004.db2.gz CWRWPZNXPAHCQR-HNNXBMFYSA-N 2 2 348.472 1.059 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[N@H+]3CC[C@H](O)C3)cn2c1 ZINC000600805943 449554006 /nfs/dbraw/zinc/55/40/06/449554006.db2.gz CWRWPZNXPAHCQR-HNNXBMFYSA-N 2 2 348.472 1.059 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH2+]CC1 ZINC000596649177 449586501 /nfs/dbraw/zinc/58/65/01/449586501.db2.gz CEIORCKWRZSEQI-LSDHHAIUSA-N 3 2 325.497 1.770 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH2+]CC1 ZINC000596649177 449586508 /nfs/dbraw/zinc/58/65/08/449586508.db2.gz CEIORCKWRZSEQI-LSDHHAIUSA-N 3 2 325.497 1.770 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)[nH]c1C ZINC000602462440 449607856 /nfs/dbraw/zinc/60/78/56/449607856.db2.gz MTYZIUADTRLVQE-UHFFFAOYSA-N 2 2 344.415 1.836 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]c1C ZINC000602480614 449624144 /nfs/dbraw/zinc/62/41/44/449624144.db2.gz HLPIKRZPXSHKAE-KDOFPFPSSA-N 2 2 348.491 1.568 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]c1C ZINC000602480614 449624147 /nfs/dbraw/zinc/62/41/47/449624147.db2.gz HLPIKRZPXSHKAE-KDOFPFPSSA-N 2 2 348.491 1.568 20 0 EDADLP CCc1n[nH]cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000607944718 449678497 /nfs/dbraw/zinc/67/84/97/449678497.db2.gz FMGNDPFYWZZJIM-UHFFFAOYSA-N 2 2 333.480 1.652 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c2ccccc2O1 ZINC000612400513 449680165 /nfs/dbraw/zinc/68/01/65/449680165.db2.gz NMIGQRMFFAKXAL-UONOGXRCSA-N 2 2 340.427 1.870 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c2ccccc2O1 ZINC000612400513 449680171 /nfs/dbraw/zinc/68/01/71/449680171.db2.gz NMIGQRMFFAKXAL-UONOGXRCSA-N 2 2 340.427 1.870 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000594717958 449645460 /nfs/dbraw/zinc/64/54/60/449645460.db2.gz IWMBXUNCRJCEGI-CSLYMUCUSA-N 2 2 326.481 1.933 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000594717958 449645463 /nfs/dbraw/zinc/64/54/63/449645463.db2.gz IWMBXUNCRJCEGI-CSLYMUCUSA-N 2 2 326.481 1.933 20 0 EDADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000601147310 449717723 /nfs/dbraw/zinc/71/77/23/449717723.db2.gz ZQCBHQYDEVAVBH-STQMWFEESA-N 2 2 344.415 1.337 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@@H]2CCC[N@H+](CC)C2)nc(C)[nH+]1 ZINC000601108318 449693911 /nfs/dbraw/zinc/69/39/11/449693911.db2.gz ICRYLIWGGWDRCR-HNNXBMFYSA-N 2 2 334.464 2.425 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@@H]2CCC[N@@H+](CC)C2)nc(C)[nH+]1 ZINC000601108318 449693918 /nfs/dbraw/zinc/69/39/18/449693918.db2.gz ICRYLIWGGWDRCR-HNNXBMFYSA-N 2 2 334.464 2.425 20 0 EDADLP COC(=O)c1oc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1C ZINC000597057051 449789802 /nfs/dbraw/zinc/78/98/02/449789802.db2.gz GVYWHXFKSWORPV-CQSZACIVSA-N 2 2 336.432 1.965 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1 ZINC000614663151 449748027 /nfs/dbraw/zinc/74/80/27/449748027.db2.gz MLHSTZFFYJPJQF-LSDHHAIUSA-N 2 2 335.452 1.272 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1 ZINC000614663151 449748029 /nfs/dbraw/zinc/74/80/29/449748029.db2.gz MLHSTZFFYJPJQF-LSDHHAIUSA-N 2 2 335.452 1.272 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614663151 449748033 /nfs/dbraw/zinc/74/80/33/449748033.db2.gz MLHSTZFFYJPJQF-LSDHHAIUSA-N 2 2 335.452 1.272 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614663151 449748036 /nfs/dbraw/zinc/74/80/36/449748036.db2.gz MLHSTZFFYJPJQF-LSDHHAIUSA-N 2 2 335.452 1.272 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(-c2cnco2)c1 ZINC000617762061 449820261 /nfs/dbraw/zinc/82/02/61/449820261.db2.gz GLNPUEQOYQZYAD-UHFFFAOYSA-N 2 2 330.432 1.955 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(-c2cnco2)c1 ZINC000617762061 449820266 /nfs/dbraw/zinc/82/02/66/449820266.db2.gz GLNPUEQOYQZYAD-UHFFFAOYSA-N 2 2 330.432 1.955 20 0 EDADLP Cc1ccccc1-n1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000617762335 449821024 /nfs/dbraw/zinc/82/10/24/449821024.db2.gz MXEUTJOLGRZDEG-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP Cc1ccccc1-n1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000617762335 449821031 /nfs/dbraw/zinc/82/10/31/449821031.db2.gz MXEUTJOLGRZDEG-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(F)ccc2ccncc21 ZINC000617763091 449822691 /nfs/dbraw/zinc/82/26/91/449822691.db2.gz DVDKBUDAURWCNM-UHFFFAOYSA-N 2 2 332.423 1.987 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(F)ccc2ccncc21 ZINC000617763091 449822694 /nfs/dbraw/zinc/82/26/94/449822694.db2.gz DVDKBUDAURWCNM-UHFFFAOYSA-N 2 2 332.423 1.987 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(F)c2ccncc12 ZINC000617763681 449822785 /nfs/dbraw/zinc/82/27/85/449822785.db2.gz XIBORNWHGMZIIY-UHFFFAOYSA-N 2 2 332.423 1.987 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(F)c2ccncc12 ZINC000617763681 449822792 /nfs/dbraw/zinc/82/27/92/449822792.db2.gz XIBORNWHGMZIIY-UHFFFAOYSA-N 2 2 332.423 1.987 20 0 EDADLP CC(C)[C@H]1C[C@@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000617764820 449823820 /nfs/dbraw/zinc/82/38/20/449823820.db2.gz IEBVFYJJFJRXOC-DLBZAZTESA-N 2 2 327.513 1.827 20 0 EDADLP CC(C)[C@H]1C[C@@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000617764820 449823826 /nfs/dbraw/zinc/82/38/26/449823826.db2.gz IEBVFYJJFJRXOC-DLBZAZTESA-N 2 2 327.513 1.827 20 0 EDADLP CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)n1 ZINC000597119341 449825090 /nfs/dbraw/zinc/82/50/90/449825090.db2.gz SDBTYZVTABKMKF-UHFFFAOYSA-N 2 2 332.408 1.403 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=Cc2cc(F)ccc2OC1 ZINC000617765607 449827162 /nfs/dbraw/zinc/82/71/62/449827162.db2.gz IWLURVWRLOWDGH-UHFFFAOYSA-N 2 2 335.423 1.601 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=Cc2cc(F)ccc2OC1 ZINC000617765607 449827167 /nfs/dbraw/zinc/82/71/67/449827167.db2.gz IWLURVWRLOWDGH-UHFFFAOYSA-N 2 2 335.423 1.601 20 0 EDADLP CCN(C)C(=O)c1cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617766407 449829173 /nfs/dbraw/zinc/82/91/73/449829173.db2.gz JIEXIFWJKYEAFL-UHFFFAOYSA-N 2 2 348.491 1.392 20 0 EDADLP CCN(C)C(=O)c1cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617766407 449829177 /nfs/dbraw/zinc/82/91/77/449829177.db2.gz JIEXIFWJKYEAFL-UHFFFAOYSA-N 2 2 348.491 1.392 20 0 EDADLP COC(=O)[C@H]1CSCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597150061 449839826 /nfs/dbraw/zinc/83/98/26/449839826.db2.gz NRVNHFXASJPKTE-CYBMUJFWSA-N 2 2 332.429 1.605 20 0 EDADLP COC(=O)[C@H]1CSCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597150061 449839835 /nfs/dbraw/zinc/83/98/35/449839835.db2.gz NRVNHFXASJPKTE-CYBMUJFWSA-N 2 2 332.429 1.605 20 0 EDADLP CCOC(=O)C[C@H](O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000599307425 449879032 /nfs/dbraw/zinc/87/90/32/449879032.db2.gz MVCZTSZPRZCBOQ-SFHVURJKSA-N 2 2 349.475 1.334 20 0 EDADLP CCOC(=O)C[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000599307425 449879039 /nfs/dbraw/zinc/87/90/39/449879039.db2.gz MVCZTSZPRZCBOQ-SFHVURJKSA-N 2 2 349.475 1.334 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000597223660 449881659 /nfs/dbraw/zinc/88/16/59/449881659.db2.gz SOPBZDNUOSXOCS-INIZCTEOSA-N 2 2 336.407 1.955 20 0 EDADLP C[C@@]1(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC[NH2+]C1 ZINC000612861896 449913961 /nfs/dbraw/zinc/91/39/61/449913961.db2.gz GSPMNWLUPGHIKT-FUHWJXTLSA-N 2 2 332.448 1.111 20 0 EDADLP Cc1ccc(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477104 450001836 /nfs/dbraw/zinc/00/18/36/450001836.db2.gz DMSXMQCFMUKMOE-SFHVURJKSA-N 2 2 343.471 1.805 20 0 EDADLP Cc1ccc(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000601477104 450001840 /nfs/dbraw/zinc/00/18/40/450001840.db2.gz DMSXMQCFMUKMOE-SFHVURJKSA-N 2 2 343.471 1.805 20 0 EDADLP CN(C)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000601477597 450001190 /nfs/dbraw/zinc/00/11/90/450001190.db2.gz JQGRFQLWDWAEIX-QGZVFWFLSA-N 2 2 345.491 1.388 20 0 EDADLP CN(C)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000601477597 450001196 /nfs/dbraw/zinc/00/11/96/450001196.db2.gz JQGRFQLWDWAEIX-QGZVFWFLSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[C@@H]([NH+]3CCOCC3)C1)C2 ZINC000615532814 450126448 /nfs/dbraw/zinc/12/64/48/450126448.db2.gz BZAVVMLAMMEOIP-JKSUJKDBSA-N 2 2 332.448 1.077 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[C@H]([NH+]3CCOCC3)C1)C2 ZINC000615532811 450126647 /nfs/dbraw/zinc/12/66/47/450126647.db2.gz BZAVVMLAMMEOIP-HOTGVXAUSA-N 2 2 332.448 1.077 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000615769154 450228256 /nfs/dbraw/zinc/22/82/56/450228256.db2.gz MTCIMIFRTXSOKN-IRXDYDNUSA-N 2 2 345.491 1.072 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)CC1 ZINC000615769156 450228356 /nfs/dbraw/zinc/22/83/56/450228356.db2.gz MTCIMIFRTXSOKN-SJORKVTESA-N 2 2 345.491 1.072 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000619903671 450370945 /nfs/dbraw/zinc/37/09/45/450370945.db2.gz GAPRYMYFNNUBJM-GDBMZVCRSA-N 2 2 349.479 1.084 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000619903671 450370951 /nfs/dbraw/zinc/37/09/51/450370951.db2.gz GAPRYMYFNNUBJM-GDBMZVCRSA-N 2 2 349.479 1.084 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000619903671 450370955 /nfs/dbraw/zinc/37/09/55/450370955.db2.gz GAPRYMYFNNUBJM-GDBMZVCRSA-N 2 2 349.479 1.084 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000619903671 450370958 /nfs/dbraw/zinc/37/09/58/450370958.db2.gz GAPRYMYFNNUBJM-GDBMZVCRSA-N 2 2 349.479 1.084 20 0 EDADLP C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623194150 450441632 /nfs/dbraw/zinc/44/16/32/450441632.db2.gz XHWLLRKWQTUFDS-UNEWFSDZSA-N 2 2 345.491 1.360 20 0 EDADLP C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623194150 450441636 /nfs/dbraw/zinc/44/16/36/450441636.db2.gz XHWLLRKWQTUFDS-UNEWFSDZSA-N 2 2 345.491 1.360 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620482651 450501000 /nfs/dbraw/zinc/50/10/00/450501000.db2.gz RWXGKCRZQPZGAA-INIZCTEOSA-N 2 2 342.443 1.402 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620482651 450501007 /nfs/dbraw/zinc/50/10/07/450501007.db2.gz RWXGKCRZQPZGAA-INIZCTEOSA-N 2 2 342.443 1.402 20 0 EDADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623389415 450511911 /nfs/dbraw/zinc/51/19/11/450511911.db2.gz IGADWMWYJFFBMU-GOSISDBHSA-N 2 2 348.491 1.658 20 0 EDADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623389415 450511914 /nfs/dbraw/zinc/51/19/14/450511914.db2.gz IGADWMWYJFFBMU-GOSISDBHSA-N 2 2 348.491 1.658 20 0 EDADLP C[NH+](C)CCNC(=O)c1ccc(NCc2c[nH+]c3n2CCC3)cc1 ZINC000623632035 450555890 /nfs/dbraw/zinc/55/58/90/450555890.db2.gz GYBWPWOINWKIJC-UHFFFAOYSA-N 2 2 327.432 1.733 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)COCC(C)C)CC1 ZINC000626087510 450572467 /nfs/dbraw/zinc/57/24/67/450572467.db2.gz QFYHJPDBKPVFJX-KRWDZBQOSA-N 2 2 328.497 1.597 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000623638005 450557532 /nfs/dbraw/zinc/55/75/32/450557532.db2.gz QYNGZSXNKGXCFY-OWCLPIDISA-N 2 2 334.464 1.369 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000623638005 450557534 /nfs/dbraw/zinc/55/75/34/450557534.db2.gz QYNGZSXNKGXCFY-OWCLPIDISA-N 2 2 334.464 1.369 20 0 EDADLP c1nc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000623895646 450627377 /nfs/dbraw/zinc/62/73/77/450627377.db2.gz YIAWBJIIZJFKQD-CABCVRRESA-N 2 2 336.505 1.517 20 0 EDADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CN(Cc3ccncc3)CCO1)CCC2 ZINC000623782793 450583044 /nfs/dbraw/zinc/58/30/44/450583044.db2.gz AQTOWPFKJWXUEC-KRWDZBQOSA-N 2 2 327.432 1.215 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)CC2 ZINC000623815555 450600504 /nfs/dbraw/zinc/60/05/04/450600504.db2.gz HHFIHDIRYORVMP-QGZVFWFLSA-N 2 2 338.455 1.928 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[N@H+]1CCc3ccccc3C1)CC2 ZINC000623815555 450600509 /nfs/dbraw/zinc/60/05/09/450600509.db2.gz HHFIHDIRYORVMP-QGZVFWFLSA-N 2 2 338.455 1.928 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000631491780 450622291 /nfs/dbraw/zinc/62/22/91/450622291.db2.gz CVCPPVQZUZKZOL-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000631491780 450622293 /nfs/dbraw/zinc/62/22/93/450622293.db2.gz CVCPPVQZUZKZOL-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNc1nc2ccccc2n2c[nH+]cc12 ZINC000623936162 450641033 /nfs/dbraw/zinc/64/10/33/450641033.db2.gz HEDXNOPVWWMDDT-UHFFFAOYSA-N 2 2 325.416 2.405 20 0 EDADLP CC1(C)COCC[N@H+]1CCNc1nc2ccccc2n2c[nH+]cc12 ZINC000623936162 450641038 /nfs/dbraw/zinc/64/10/38/450641038.db2.gz HEDXNOPVWWMDDT-UHFFFAOYSA-N 2 2 325.416 2.405 20 0 EDADLP C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CC[NH+](C)CC1 ZINC000623968525 450654419 /nfs/dbraw/zinc/65/44/19/450654419.db2.gz FTBFPBCNECXGMR-CABCVRRESA-N 2 2 333.480 1.828 20 0 EDADLP C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C1CC[NH+](C)CC1 ZINC000623968525 450654423 /nfs/dbraw/zinc/65/44/23/450654423.db2.gz FTBFPBCNECXGMR-CABCVRRESA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)n1cc[nH+]c1 ZINC000635116523 450662147 /nfs/dbraw/zinc/66/21/47/450662147.db2.gz SUVPBHSSWSOMRF-DLBZAZTESA-N 2 2 334.464 1.794 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000623988387 450662267 /nfs/dbraw/zinc/66/22/67/450662267.db2.gz HUPVQRYAYCBAJE-IAGOWNOFSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000623988387 450662271 /nfs/dbraw/zinc/66/22/71/450662271.db2.gz HUPVQRYAYCBAJE-IAGOWNOFSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000623988387 450662274 /nfs/dbraw/zinc/66/22/74/450662274.db2.gz HUPVQRYAYCBAJE-IAGOWNOFSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000623988387 450662276 /nfs/dbraw/zinc/66/22/76/450662276.db2.gz HUPVQRYAYCBAJE-IAGOWNOFSA-N 2 2 338.496 1.413 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635138647 450685163 /nfs/dbraw/zinc/68/51/63/450685163.db2.gz ZQNLQIWPOOBGAJ-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635138647 450685168 /nfs/dbraw/zinc/68/51/68/450685168.db2.gz ZQNLQIWPOOBGAJ-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635138647 450685179 /nfs/dbraw/zinc/68/51/79/450685179.db2.gz ZQNLQIWPOOBGAJ-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635138647 450685184 /nfs/dbraw/zinc/68/51/84/450685184.db2.gz ZQNLQIWPOOBGAJ-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP O=S1(=O)CCCN1CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000631655830 450697340 /nfs/dbraw/zinc/69/73/40/450697340.db2.gz IVRXSJXTLOKAQW-UHFFFAOYSA-N 2 2 338.477 1.066 20 0 EDADLP c1ccc2c(c1)CN(c1cc[nH+]c(N3CC[N@@H+]4CCOC[C@@H]4C3)n1)C2 ZINC000624100546 450706976 /nfs/dbraw/zinc/70/69/76/450706976.db2.gz WTLKSIQSWCEIJV-KRWDZBQOSA-N 2 2 337.427 1.518 20 0 EDADLP c1ccc2c(c1)CN(c1cc[nH+]c(N3CC[N@H+]4CCOC[C@@H]4C3)n1)C2 ZINC000624100546 450706985 /nfs/dbraw/zinc/70/69/85/450706985.db2.gz WTLKSIQSWCEIJV-KRWDZBQOSA-N 2 2 337.427 1.518 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621383218 450710430 /nfs/dbraw/zinc/71/04/30/450710430.db2.gz WQKUQJVJTUOFPQ-OAHLLOKOSA-N 2 2 334.439 1.531 20 0 EDADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621383218 450710435 /nfs/dbraw/zinc/71/04/35/450710435.db2.gz WQKUQJVJTUOFPQ-OAHLLOKOSA-N 2 2 334.439 1.531 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000635181716 450725116 /nfs/dbraw/zinc/72/51/16/450725116.db2.gz QFYKCYIYGXHREC-UHFFFAOYSA-N 2 2 346.475 1.656 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629652616 450772268 /nfs/dbraw/zinc/77/22/68/450772268.db2.gz KAFGQEZLTWBSJX-UHFFFAOYSA-N 2 2 338.415 1.733 20 0 EDADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629567629 450740289 /nfs/dbraw/zinc/74/02/89/450740289.db2.gz YXZKONXLUYTVDH-UYAOXDASSA-N 2 2 346.519 1.243 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629567629 450740294 /nfs/dbraw/zinc/74/02/94/450740294.db2.gz YXZKONXLUYTVDH-UYAOXDASSA-N 2 2 346.519 1.243 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000631795329 450781639 /nfs/dbraw/zinc/78/16/39/450781639.db2.gz IEGXMBJHJHYVKI-UHFFFAOYSA-N 2 2 340.424 1.383 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[NH+]2CCOCC2)c1 ZINC000635277964 450808176 /nfs/dbraw/zinc/80/81/76/450808176.db2.gz ITKRTVKVOKZLDF-IEBWSBKVSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[NH+]2CCOCC2)c1 ZINC000635277964 450808180 /nfs/dbraw/zinc/80/81/80/450808180.db2.gz ITKRTVKVOKZLDF-IEBWSBKVSA-N 2 2 345.487 1.826 20 0 EDADLP CN(C)C(=O)CN(CC[NH+](C)C)c1nc2ccccc2n2c[nH+]cc12 ZINC000624397385 450832354 /nfs/dbraw/zinc/83/23/54/450832354.db2.gz ZCAUDLGYDFMIDB-UHFFFAOYSA-N 2 2 340.431 1.339 20 0 EDADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866259 450836039 /nfs/dbraw/zinc/83/60/39/450836039.db2.gz NWODSAFPCPDMRB-UHFFFAOYSA-N 2 2 347.503 1.860 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887795 450849386 /nfs/dbraw/zinc/84/93/86/450849386.db2.gz QNELEXDTXQEKPK-RTBURBONSA-N 2 2 345.487 1.913 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887795 450849392 /nfs/dbraw/zinc/84/93/92/450849392.db2.gz QNELEXDTXQEKPK-RTBURBONSA-N 2 2 345.487 1.913 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000621780220 450865328 /nfs/dbraw/zinc/86/53/28/450865328.db2.gz ORZJPGOBYFZFDV-ZUEVXXBESA-N 2 2 349.450 1.994 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000621780220 450865334 /nfs/dbraw/zinc/86/53/34/450865334.db2.gz ORZJPGOBYFZFDV-ZUEVXXBESA-N 2 2 349.450 1.994 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@@H+]4CCCOCC4)CC3)ccn12 ZINC000627743030 450914188 /nfs/dbraw/zinc/91/41/88/450914188.db2.gz ZBZANEOACKUQFH-UHFFFAOYSA-N 2 2 342.443 1.970 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@H+]4CCCOCC4)CC3)ccn12 ZINC000627743030 450914192 /nfs/dbraw/zinc/91/41/92/450914192.db2.gz ZBZANEOACKUQFH-UHFFFAOYSA-N 2 2 342.443 1.970 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000635410483 450917220 /nfs/dbraw/zinc/91/72/20/450917220.db2.gz IWSKIFRPFVNTGK-UHFFFAOYSA-N 3 2 342.447 1.792 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)cc2[nH+]1 ZINC000635419353 450926612 /nfs/dbraw/zinc/92/66/12/450926612.db2.gz SOZMDJWFUDHOTE-OAHLLOKOSA-N 2 2 343.431 1.380 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)cc2[nH+]1 ZINC000635419353 450926614 /nfs/dbraw/zinc/92/66/14/450926614.db2.gz SOZMDJWFUDHOTE-OAHLLOKOSA-N 2 2 343.431 1.380 20 0 EDADLP CCn1cc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c(C)n1 ZINC000627794808 450942240 /nfs/dbraw/zinc/94/22/40/450942240.db2.gz RGXGQCAVBWDMPM-UHFFFAOYSA-N 2 2 347.507 1.844 20 0 EDADLP CCn1cc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c(C)n1 ZINC000627794808 450942247 /nfs/dbraw/zinc/94/22/47/450942247.db2.gz RGXGQCAVBWDMPM-UHFFFAOYSA-N 2 2 347.507 1.844 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2c1C(=O)CC2 ZINC000633613753 450943145 /nfs/dbraw/zinc/94/31/45/450943145.db2.gz FIDBUDHYPUZPEO-AWEZNQCLSA-N 2 2 331.460 1.817 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc2c1C(=O)CC2 ZINC000633613753 450943146 /nfs/dbraw/zinc/94/31/46/450943146.db2.gz FIDBUDHYPUZPEO-AWEZNQCLSA-N 2 2 331.460 1.817 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)CO1 ZINC000633616910 450945066 /nfs/dbraw/zinc/94/50/66/450945066.db2.gz HYLOXEFTDOLKCX-HZPDHXFCSA-N 2 2 342.443 1.640 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)CO1 ZINC000633616910 450945069 /nfs/dbraw/zinc/94/50/69/450945069.db2.gz HYLOXEFTDOLKCX-HZPDHXFCSA-N 2 2 342.443 1.640 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)cc2[nH+]1 ZINC000635443259 450945269 /nfs/dbraw/zinc/94/52/69/450945269.db2.gz HARIDXKVRGRQEY-KRWDZBQOSA-N 2 2 342.443 1.970 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cc2[nH+]1 ZINC000635443259 450945271 /nfs/dbraw/zinc/94/52/71/450945271.db2.gz HARIDXKVRGRQEY-KRWDZBQOSA-N 2 2 342.443 1.970 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000624727024 450965444 /nfs/dbraw/zinc/96/54/44/450965444.db2.gz BDBCRVYOIBEVKW-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000624727024 450965450 /nfs/dbraw/zinc/96/54/50/450965450.db2.gz BDBCRVYOIBEVKW-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000624727024 450965453 /nfs/dbraw/zinc/96/54/53/450965453.db2.gz BDBCRVYOIBEVKW-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000624727024 450965458 /nfs/dbraw/zinc/96/54/58/450965458.db2.gz BDBCRVYOIBEVKW-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCOCCC[NH3+])c1ccccc1F ZINC000626927541 451010721 /nfs/dbraw/zinc/01/07/21/451010721.db2.gz RDFJKSWNTMSFMV-HNNXBMFYSA-N 2 2 349.410 1.313 20 0 EDADLP C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632084180 451024193 /nfs/dbraw/zinc/02/41/93/451024193.db2.gz GIYRCMLVCONAII-UHFFFAOYSA-N 2 2 345.534 1.536 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2[nH+]1 ZINC000635531676 451027474 /nfs/dbraw/zinc/02/74/74/451027474.db2.gz GMUDCADCZIGPPH-HZPDHXFCSA-N 2 2 328.416 1.314 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1(F)F ZINC000633865127 451052861 /nfs/dbraw/zinc/05/28/61/451052861.db2.gz CXRSTTOSHVHQRY-UONOGXRCSA-N 2 2 344.450 1.842 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1(F)F ZINC000633865127 451052864 /nfs/dbraw/zinc/05/28/64/451052864.db2.gz CXRSTTOSHVHQRY-UONOGXRCSA-N 2 2 344.450 1.842 20 0 EDADLP CC[NH+]1CCN(CCNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635556397 451054491 /nfs/dbraw/zinc/05/44/91/451054491.db2.gz PWPMABPIBVKGMC-ZDUSSCGKSA-N 2 2 347.385 1.130 20 0 EDADLP C[C@@H](CNC(=O)C[N@H+](C)CCc1ccccc1)CN1CC[NH+](C)CC1 ZINC000635561197 451059101 /nfs/dbraw/zinc/05/91/01/451059101.db2.gz PLCWQSPAONHPPZ-SFHVURJKSA-N 2 2 346.519 1.161 20 0 EDADLP C[C@@H](CNC(=O)C[N@@H+](C)CCc1ccccc1)CN1CC[NH+](C)CC1 ZINC000635561197 451059106 /nfs/dbraw/zinc/05/91/06/451059106.db2.gz PLCWQSPAONHPPZ-SFHVURJKSA-N 2 2 346.519 1.161 20 0 EDADLP Cc1cccc(O)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000624937069 451069568 /nfs/dbraw/zinc/06/95/68/451069568.db2.gz XMZRUWQWDIXWDV-UHFFFAOYSA-N 2 2 331.460 1.989 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000627101382 451122689 /nfs/dbraw/zinc/12/26/89/451122689.db2.gz ANXAYNVFMDGZHI-ZIAGYGMSSA-N 2 2 334.468 1.747 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[N@@H+]1C1CC1 ZINC000635665667 451151307 /nfs/dbraw/zinc/15/13/07/451151307.db2.gz YZXUOJSUAWDSBR-QWHCGFSZSA-N 2 2 326.400 1.933 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[N@H+]1C1CC1 ZINC000635665667 451151313 /nfs/dbraw/zinc/15/13/13/451151313.db2.gz YZXUOJSUAWDSBR-QWHCGFSZSA-N 2 2 326.400 1.933 20 0 EDADLP C[NH2+]CCOCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000627172737 451163801 /nfs/dbraw/zinc/16/38/01/451163801.db2.gz BELUNSQSJCZAQO-AWEZNQCLSA-N 2 2 340.493 1.372 20 0 EDADLP C[NH2+]CCOCCNC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000627172408 451164015 /nfs/dbraw/zinc/16/40/15/451164015.db2.gz YHCVWLMVRKGJCO-OAHLLOKOSA-N 2 2 331.420 1.377 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000635679805 451164029 /nfs/dbraw/zinc/16/40/29/451164029.db2.gz DMMZTJGWPKASQB-INIZCTEOSA-N 2 2 334.464 1.618 20 0 EDADLP Cc1nc(C)c(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000628210001 451183390 /nfs/dbraw/zinc/18/33/90/451183390.db2.gz CMOLUDKJGGPACT-UHFFFAOYSA-N 2 2 343.431 1.515 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)cn2)CC1 ZINC000634096400 451191056 /nfs/dbraw/zinc/19/10/56/451191056.db2.gz RZNPGQHRLTVCDJ-GFCCVEGCSA-N 2 2 328.420 1.617 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)cn2)CC1 ZINC000634096400 451191059 /nfs/dbraw/zinc/19/10/59/451191059.db2.gz RZNPGQHRLTVCDJ-GFCCVEGCSA-N 2 2 328.420 1.617 20 0 EDADLP [NH3+]CCCOCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000627217869 451192918 /nfs/dbraw/zinc/19/29/18/451192918.db2.gz IJBKDEVUQHISLG-HNNXBMFYSA-N 2 2 349.479 1.474 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H](CO)C[NH+]3CCCC3)CC2)[nH+]c1 ZINC000640322472 451251243 /nfs/dbraw/zinc/25/12/43/451251243.db2.gz FURUESMWPDKCIQ-QGZVFWFLSA-N 2 2 346.475 1.179 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000638086174 451252543 /nfs/dbraw/zinc/25/25/43/451252543.db2.gz PNXZEVPHPKWYJG-ZDUSSCGKSA-N 2 2 348.447 1.019 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000640324570 451254848 /nfs/dbraw/zinc/25/48/48/451254848.db2.gz STQVTKGUFQKPSW-HZPDHXFCSA-N 2 2 339.867 1.516 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000638118311 451286895 /nfs/dbraw/zinc/28/68/95/451286895.db2.gz XDLJHEBDNJOWKK-MAUKXSAKSA-N 2 2 331.460 1.616 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000636536287 451277593 /nfs/dbraw/zinc/27/75/93/451277593.db2.gz BULIYWPNFMGLBK-OAHLLOKOSA-N 2 2 343.431 1.248 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000638110763 451278561 /nfs/dbraw/zinc/27/85/61/451278561.db2.gz PQIYOVVFXHMPPH-XZJROXQQSA-N 2 2 339.386 1.162 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000638110763 451278565 /nfs/dbraw/zinc/27/85/65/451278565.db2.gz PQIYOVVFXHMPPH-XZJROXQQSA-N 2 2 339.386 1.162 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000638136310 451308657 /nfs/dbraw/zinc/30/86/57/451308657.db2.gz GZZFMSGUTAOSCH-UHFFFAOYSA-N 2 2 343.431 1.124 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000635863732 451311638 /nfs/dbraw/zinc/31/16/38/451311638.db2.gz ULQXZCRGOWYWOA-HOTGVXAUSA-N 2 2 344.390 1.836 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[NH+](C)C(C)(C)C2)cc1 ZINC000635893518 451337348 /nfs/dbraw/zinc/33/73/48/451337348.db2.gz SQZMFSLUGYPYFX-QGZVFWFLSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[NH+](C)C(C)(C)C2)cc1 ZINC000635893518 451337352 /nfs/dbraw/zinc/33/73/52/451337352.db2.gz SQZMFSLUGYPYFX-QGZVFWFLSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000635893518 451337357 /nfs/dbraw/zinc/33/73/57/451337357.db2.gz SQZMFSLUGYPYFX-QGZVFWFLSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000635893518 451337361 /nfs/dbraw/zinc/33/73/61/451337361.db2.gz SQZMFSLUGYPYFX-QGZVFWFLSA-N 2 2 331.460 1.822 20 0 EDADLP [NH3+]CC[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C(F)(F)F ZINC000638267993 451389219 /nfs/dbraw/zinc/38/92/19/451389219.db2.gz IGVOAIZDIKVESL-JGVFFNPUSA-N 2 2 332.248 1.773 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C(F)(F)F ZINC000638269293 451389311 /nfs/dbraw/zinc/38/93/11/451389311.db2.gz YBXYCBXKGOSAND-GFCCVEGCSA-N 2 2 328.294 1.587 20 0 EDADLP COC[C@@]1(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCC[NH2+]1 ZINC000638229426 451370606 /nfs/dbraw/zinc/37/06/06/451370606.db2.gz FCDUBLWHLDODPY-KRWDZBQOSA-N 2 2 330.388 1.076 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000632565551 451407035 /nfs/dbraw/zinc/40/70/35/451407035.db2.gz LOVDTZRAGQXQCY-HOTGVXAUSA-N 2 2 342.443 1.328 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000632565551 451407038 /nfs/dbraw/zinc/40/70/38/451407038.db2.gz LOVDTZRAGQXQCY-HOTGVXAUSA-N 2 2 342.443 1.328 20 0 EDADLP O=C(N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000628773694 451409490 /nfs/dbraw/zinc/40/94/90/451409490.db2.gz MOZIEOJNTTWBKE-JKSUJKDBSA-N 2 2 343.406 1.144 20 0 EDADLP O=C(N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000628773694 451409495 /nfs/dbraw/zinc/40/94/95/451409495.db2.gz MOZIEOJNTTWBKE-JKSUJKDBSA-N 2 2 343.406 1.144 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630828594 451424666 /nfs/dbraw/zinc/42/46/66/451424666.db2.gz LQVLKZHRNYIOBK-UHFFFAOYSA-N 2 2 342.443 1.596 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630828594 451424667 /nfs/dbraw/zinc/42/46/67/451424667.db2.gz LQVLKZHRNYIOBK-UHFFFAOYSA-N 2 2 342.443 1.596 20 0 EDADLP CO[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCOC1 ZINC000638385790 451479547 /nfs/dbraw/zinc/47/95/47/451479547.db2.gz HPFKVGOGKUXKQV-OALUTQOASA-N 2 2 334.460 1.660 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000628922507 451485856 /nfs/dbraw/zinc/48/58/56/451485856.db2.gz XDEIZEWEEQCYLR-SJLPKXTDSA-N 2 2 349.450 1.485 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000628922507 451485858 /nfs/dbraw/zinc/48/58/58/451485858.db2.gz XDEIZEWEEQCYLR-SJLPKXTDSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000628922507 451485861 /nfs/dbraw/zinc/48/58/61/451485861.db2.gz XDEIZEWEEQCYLR-SJLPKXTDSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000628922507 451485864 /nfs/dbraw/zinc/48/58/64/451485864.db2.gz XDEIZEWEEQCYLR-SJLPKXTDSA-N 2 2 349.450 1.485 20 0 EDADLP O[C@@]1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634711954 451491630 /nfs/dbraw/zinc/49/16/30/451491630.db2.gz XCNXAHQPTCHOBI-PKOBYXMFSA-N 3 2 326.444 1.425 20 0 EDADLP O[C@@]1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711954 451491635 /nfs/dbraw/zinc/49/16/35/451491635.db2.gz XCNXAHQPTCHOBI-PKOBYXMFSA-N 3 2 326.444 1.425 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000634714948 451496094 /nfs/dbraw/zinc/49/60/94/451496094.db2.gz UUNUJSKDUQXIPR-BHIYHBOVSA-N 2 2 348.487 1.532 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000634714948 451496099 /nfs/dbraw/zinc/49/60/99/451496099.db2.gz UUNUJSKDUQXIPR-BHIYHBOVSA-N 2 2 348.487 1.532 20 0 EDADLP OC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721399 451500729 /nfs/dbraw/zinc/50/07/29/451500729.db2.gz YEUCSXFGUUBDMJ-PMACEKPBSA-N 2 2 326.440 1.947 20 0 EDADLP OC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721399 451500736 /nfs/dbraw/zinc/50/07/36/451500736.db2.gz YEUCSXFGUUBDMJ-PMACEKPBSA-N 2 2 326.440 1.947 20 0 EDADLP OCCN1CCCC[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721009 451501770 /nfs/dbraw/zinc/50/17/70/451501770.db2.gz SJZPVOJYPKUVHB-VQTJNVASSA-N 2 2 347.503 1.060 20 0 EDADLP OCCN1CCCC[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721009 451501772 /nfs/dbraw/zinc/50/17/72/451501772.db2.gz SJZPVOJYPKUVHB-VQTJNVASSA-N 2 2 347.503 1.060 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCC[N@@H+]1CCCOCC1 ZINC000632686310 451521838 /nfs/dbraw/zinc/52/18/38/451521838.db2.gz IEJOCFQZTMOKJP-UHFFFAOYSA-N 2 2 328.416 1.253 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCC[N@H+]1CCCOCC1 ZINC000632686310 451521845 /nfs/dbraw/zinc/52/18/45/451521845.db2.gz IEJOCFQZTMOKJP-UHFFFAOYSA-N 2 2 328.416 1.253 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000634762257 451533002 /nfs/dbraw/zinc/53/30/02/451533002.db2.gz SSWFNMDFGBAAHU-MRXNPFEDSA-N 2 2 345.491 1.098 20 0 EDADLP CCN(CC[NH3+])C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000638519149 451554914 /nfs/dbraw/zinc/55/49/14/451554914.db2.gz SULSCIZVYFWPHH-UHFFFAOYSA-N 2 2 329.404 1.333 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC4(CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000634810220 451565295 /nfs/dbraw/zinc/56/52/95/451565295.db2.gz PYFXTZZKTBVWOI-HNNXBMFYSA-N 2 2 331.464 1.265 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC4(CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000634810220 451565298 /nfs/dbraw/zinc/56/52/98/451565298.db2.gz PYFXTZZKTBVWOI-HNNXBMFYSA-N 2 2 331.464 1.265 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccnc(-c4nccs4)n3)C2)CC1 ZINC000631118445 451593839 /nfs/dbraw/zinc/59/38/39/451593839.db2.gz ZJWOTKNGUJZWPP-ZDUSSCGKSA-N 2 2 344.488 1.602 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccnc(-c4nccs4)n3)C2)CC1 ZINC000631118445 451593846 /nfs/dbraw/zinc/59/38/46/451593846.db2.gz ZJWOTKNGUJZWPP-ZDUSSCGKSA-N 2 2 344.488 1.602 20 0 EDADLP O[C@H]1CC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631122380 451596162 /nfs/dbraw/zinc/59/61/62/451596162.db2.gz XVOLVHRUQKHJTD-MSOLQXFVSA-N 2 2 334.460 1.648 20 0 EDADLP Cc1nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(N)[nH+]1 ZINC000631154608 451614620 /nfs/dbraw/zinc/61/46/20/451614620.db2.gz YLSPJTNRZKTSLS-UHFFFAOYSA-N 3 2 347.511 1.395 20 0 EDADLP c1cnc2cc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)ccc2n1 ZINC000634962678 451626510 /nfs/dbraw/zinc/62/65/10/451626510.db2.gz ZAFXXFOIYGYJPR-QGZVFWFLSA-N 2 2 341.459 1.126 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)cc(OC(F)F)c2)[C@@H](C[NH3+])C1 ZINC000632974300 451673499 /nfs/dbraw/zinc/67/34/99/451673499.db2.gz LVGUGSGYNPTZPZ-NSHDSACASA-N 2 2 332.326 1.534 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(F)cc(OC(F)F)c2)[C@@H](C[NH3+])C1 ZINC000632974300 451673502 /nfs/dbraw/zinc/67/35/02/451673502.db2.gz LVGUGSGYNPTZPZ-NSHDSACASA-N 2 2 332.326 1.534 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000638780864 451689192 /nfs/dbraw/zinc/68/91/92/451689192.db2.gz TYVMJUMDEYNSTN-XJKSGUPXSA-N 2 2 341.415 1.392 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[C@H]([NH3+])Cc1ccccc1)CC2 ZINC000638882096 451718044 /nfs/dbraw/zinc/71/80/44/451718044.db2.gz ZWIHKEDNPPDXRY-IRXDYDNUSA-N 2 2 326.444 1.830 20 0 EDADLP CN(CCC[NH3+])Cc1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000640942231 451699810 /nfs/dbraw/zinc/69/98/10/451699810.db2.gz DZUYROXEXQVFGV-UHFFFAOYSA-N 2 2 339.447 1.352 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000637162637 451745062 /nfs/dbraw/zinc/74/50/62/451745062.db2.gz PJQZHRIWMYELOP-GOSISDBHSA-N 2 2 349.475 1.306 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000637162637 451745064 /nfs/dbraw/zinc/74/50/64/451745064.db2.gz PJQZHRIWMYELOP-GOSISDBHSA-N 2 2 349.475 1.306 20 0 EDADLP C[NH+](C)[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638986683 451747306 /nfs/dbraw/zinc/74/73/06/451747306.db2.gz XQQMGIPEWREHOI-SFHVURJKSA-N 3 2 339.443 1.733 20 0 EDADLP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000639117902 451771529 /nfs/dbraw/zinc/77/15/29/451771529.db2.gz UEXXVAQDDJXSNZ-SFHVURJKSA-N 2 2 334.460 1.600 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000639117902 451771530 /nfs/dbraw/zinc/77/15/30/451771530.db2.gz UEXXVAQDDJXSNZ-SFHVURJKSA-N 2 2 334.460 1.600 20 0 EDADLP COc1c[nH+]ccc1N1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000639127120 451772928 /nfs/dbraw/zinc/77/29/28/451772928.db2.gz OBHHJJKCPCVUAU-UHFFFAOYSA-N 2 2 334.464 1.323 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000639127120 451772932 /nfs/dbraw/zinc/77/29/32/451772932.db2.gz OBHHJJKCPCVUAU-UHFFFAOYSA-N 2 2 334.464 1.323 20 0 EDADLP C[C@@H](Cc1cnccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000639164051 451783061 /nfs/dbraw/zinc/78/30/61/451783061.db2.gz MPBLZEFCBUIXDI-YTTRVJOFSA-N 2 2 331.464 1.081 20 0 EDADLP C[C@@H](Cc1cnccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000639164051 451783063 /nfs/dbraw/zinc/78/30/63/451783063.db2.gz MPBLZEFCBUIXDI-YTTRVJOFSA-N 2 2 331.464 1.081 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)Cn3cc(CCCC[NH3+])nn3)c2cc1C ZINC000641214412 451783591 /nfs/dbraw/zinc/78/35/91/451783591.db2.gz UXWOEURMZNILGR-INIZCTEOSA-N 2 2 342.447 1.587 20 0 EDADLP CO[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000639210500 451792811 /nfs/dbraw/zinc/79/28/11/451792811.db2.gz GISROFCROMSMMY-OTWHNJEPSA-N 2 2 334.460 1.047 20 0 EDADLP CO[C@@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000639210500 451792813 /nfs/dbraw/zinc/79/28/13/451792813.db2.gz GISROFCROMSMMY-OTWHNJEPSA-N 2 2 334.460 1.047 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCC[NH+]2CCCC2)C1 ZINC000641260815 451797084 /nfs/dbraw/zinc/79/70/84/451797084.db2.gz FYQMQFPXUMVGAQ-UHFFFAOYSA-N 2 2 337.489 1.439 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCC[NH+]2CCCC2)C1 ZINC000641260815 451797087 /nfs/dbraw/zinc/79/70/87/451797087.db2.gz FYQMQFPXUMVGAQ-UHFFFAOYSA-N 2 2 337.489 1.439 20 0 EDADLP C[NH+](C)[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000641276895 451802637 /nfs/dbraw/zinc/80/26/37/451802637.db2.gz FLGVJCFYVCAZHE-OAHLLOKOSA-N 2 2 328.482 1.313 20 0 EDADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000649077711 451820459 /nfs/dbraw/zinc/82/04/59/451820459.db2.gz YEIIJTZUMJELEB-CQSZACIVSA-N 2 2 341.415 1.064 20 0 EDADLP CNC(=O)c1cccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000644519062 451836426 /nfs/dbraw/zinc/83/64/26/451836426.db2.gz MCAVNVDXYZLBON-IBGZPJMESA-N 2 2 341.455 1.629 20 0 EDADLP CNC(=O)c1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000644519062 451836433 /nfs/dbraw/zinc/83/64/33/451836433.db2.gz MCAVNVDXYZLBON-IBGZPJMESA-N 2 2 341.455 1.629 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCN1CCOC(C)(C)C1 ZINC000644534865 451848331 /nfs/dbraw/zinc/84/83/31/451848331.db2.gz SPDNKZBWJXVPLM-SFHVURJKSA-N 2 2 335.492 1.180 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCN1CCOC(C)(C)C1 ZINC000644534865 451848333 /nfs/dbraw/zinc/84/83/33/451848333.db2.gz SPDNKZBWJXVPLM-SFHVURJKSA-N 2 2 335.492 1.180 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCOC4(CC[NH+](C)CC4)C3)[nH+]c12 ZINC000649133085 451867463 /nfs/dbraw/zinc/86/74/63/451867463.db2.gz ZIVPBOKXZXYUOS-UHFFFAOYSA-N 2 2 342.443 1.508 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000651521982 451887426 /nfs/dbraw/zinc/88/74/26/451887426.db2.gz MFJIWQRLOLKUQZ-IAGOWNOFSA-N 2 2 346.475 1.522 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3CCCC(=O)N3)c2cc1C ZINC000644634820 451906722 /nfs/dbraw/zinc/90/67/22/451906722.db2.gz AZMLUXMGVOJZOI-GJZGRUSLSA-N 2 2 330.432 1.272 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649214722 451909986 /nfs/dbraw/zinc/90/99/86/451909986.db2.gz WMSDHPPTDCJWDX-SRABZTEZSA-N 2 2 332.448 1.156 20 0 EDADLP COc1ncc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000644658005 451922595 /nfs/dbraw/zinc/92/25/95/451922595.db2.gz KVOMGJHGWPMVJK-BZPMIXESSA-N 2 2 343.855 1.303 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000639546684 451938885 /nfs/dbraw/zinc/93/88/85/451938885.db2.gz QAFOPZOSQGPWBH-HOTGVXAUSA-N 2 2 345.443 1.241 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000639546684 451938888 /nfs/dbraw/zinc/93/88/88/451938888.db2.gz QAFOPZOSQGPWBH-HOTGVXAUSA-N 2 2 345.443 1.241 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NCC2=CC[N@H+](C)CC2)C1 ZINC000641413368 451952330 /nfs/dbraw/zinc/95/23/30/451952330.db2.gz YXOWMHSADIAHAL-UHFFFAOYSA-N 2 2 335.473 1.215 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NCC2=CC[N@@H+](C)CC2)C1 ZINC000641413368 451952334 /nfs/dbraw/zinc/95/23/34/451952334.db2.gz YXOWMHSADIAHAL-UHFFFAOYSA-N 2 2 335.473 1.215 20 0 EDADLP C[NH+]1CC=C(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000641413368 451952338 /nfs/dbraw/zinc/95/23/38/451952338.db2.gz YXOWMHSADIAHAL-UHFFFAOYSA-N 2 2 335.473 1.215 20 0 EDADLP C[NH+]1CC=C(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000641413368 451952341 /nfs/dbraw/zinc/95/23/41/451952341.db2.gz YXOWMHSADIAHAL-UHFFFAOYSA-N 2 2 335.473 1.215 20 0 EDADLP O=c1cc2c(n[nH]1)CC[N@@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000639592813 451962016 /nfs/dbraw/zinc/96/20/16/451962016.db2.gz MSGKMXBQCRHZKV-IBGZPJMESA-N 2 2 340.427 1.177 20 0 EDADLP O=c1cc2c(n[nH]1)CC[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000639592813 451962021 /nfs/dbraw/zinc/96/20/21/451962021.db2.gz MSGKMXBQCRHZKV-IBGZPJMESA-N 2 2 340.427 1.177 20 0 EDADLP O=c1cc2c(n[nH]1)CC[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000639592813 451962025 /nfs/dbraw/zinc/96/20/25/451962025.db2.gz MSGKMXBQCRHZKV-IBGZPJMESA-N 2 2 340.427 1.177 20 0 EDADLP O=c1cc2c(n[nH]1)CC[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000639592813 451962029 /nfs/dbraw/zinc/96/20/29/451962029.db2.gz MSGKMXBQCRHZKV-IBGZPJMESA-N 2 2 340.427 1.177 20 0 EDADLP CCN1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC000639606986 451971008 /nfs/dbraw/zinc/97/10/08/451971008.db2.gz PFXFPZPGSUQHPN-LJQANCHMSA-N 2 2 331.460 1.178 20 0 EDADLP CCN1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC000639606986 451971015 /nfs/dbraw/zinc/97/10/15/451971015.db2.gz PFXFPZPGSUQHPN-LJQANCHMSA-N 2 2 331.460 1.178 20 0 EDADLP CCN1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000639606986 451971020 /nfs/dbraw/zinc/97/10/20/451971020.db2.gz PFXFPZPGSUQHPN-LJQANCHMSA-N 2 2 331.460 1.178 20 0 EDADLP CCN1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000639606986 451971026 /nfs/dbraw/zinc/97/10/26/451971026.db2.gz PFXFPZPGSUQHPN-LJQANCHMSA-N 2 2 331.460 1.178 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000649310952 451987534 /nfs/dbraw/zinc/98/75/34/451987534.db2.gz PLAYUWOQFMMJQG-HXUWFJFHSA-N 2 2 344.503 1.712 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)C2 ZINC000649317879 451996430 /nfs/dbraw/zinc/99/64/30/451996430.db2.gz AVRXFOVPDOWIGY-NWDGAFQWSA-N 2 2 340.418 1.856 20 0 EDADLP COC[C@@]1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000649323157 452001604 /nfs/dbraw/zinc/00/16/04/452001604.db2.gz JCRKVQRGMDXASD-DNVCBOLYSA-N 2 2 347.459 1.787 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000649341010 452021382 /nfs/dbraw/zinc/02/13/82/452021382.db2.gz HHGAMUDHJREITQ-UKPHBRMFSA-N 2 2 336.505 1.280 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000649341010 452021387 /nfs/dbraw/zinc/02/13/87/452021387.db2.gz HHGAMUDHJREITQ-UKPHBRMFSA-N 2 2 336.505 1.280 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000649345260 452026785 /nfs/dbraw/zinc/02/67/85/452026785.db2.gz SDQKWRQKJJKACQ-CJNGLKHVSA-N 2 2 337.851 1.521 20 0 EDADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1C[NH+]1CCOCC1 ZINC000647075993 452044889 /nfs/dbraw/zinc/04/48/89/452044889.db2.gz SMJZJMYNIIABBC-HNNXBMFYSA-N 2 2 339.386 1.246 20 0 EDADLP CC1(C(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)C[NH2+]C1 ZINC000649373890 452049421 /nfs/dbraw/zinc/04/94/21/452049421.db2.gz USONVGZZHYRDCN-UHFFFAOYSA-N 2 2 336.439 1.870 20 0 EDADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653646408 452058749 /nfs/dbraw/zinc/05/87/49/452058749.db2.gz MNIBIGWRLLAECF-INIZCTEOSA-N 2 2 343.431 1.958 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000653672728 452071942 /nfs/dbraw/zinc/07/19/42/452071942.db2.gz ZVQHGJQCWVDEJF-CABCVRRESA-N 2 2 345.281 1.559 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000653672728 452071943 /nfs/dbraw/zinc/07/19/43/452071943.db2.gz ZVQHGJQCWVDEJF-CABCVRRESA-N 2 2 345.281 1.559 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000649410111 452073815 /nfs/dbraw/zinc/07/38/15/452073815.db2.gz QACNTCLJPHYJOY-UHFFFAOYSA-N 2 2 335.839 1.804 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccnn1Cc1ccccc1Cl ZINC000649410111 452073821 /nfs/dbraw/zinc/07/38/21/452073821.db2.gz QACNTCLJPHYJOY-UHFFFAOYSA-N 2 2 335.839 1.804 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000649414730 452076342 /nfs/dbraw/zinc/07/63/42/452076342.db2.gz TWIPKALDFIRRSL-INIZCTEOSA-N 2 2 329.448 1.278 20 0 EDADLP c1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CCOCC1 ZINC000643250861 452094818 /nfs/dbraw/zinc/09/48/18/452094818.db2.gz XDWGDOVRKYJJAF-PMACEKPBSA-N 2 2 346.471 1.899 20 0 EDADLP c1cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CCOCC1 ZINC000643250861 452094826 /nfs/dbraw/zinc/09/48/26/452094826.db2.gz XDWGDOVRKYJJAF-PMACEKPBSA-N 2 2 346.471 1.899 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000639765111 452107179 /nfs/dbraw/zinc/10/71/79/452107179.db2.gz ZYLQFRBTWBFHCG-HXUWFJFHSA-N 3 2 347.503 1.407 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000639765111 452107184 /nfs/dbraw/zinc/10/71/84/452107184.db2.gz ZYLQFRBTWBFHCG-HXUWFJFHSA-N 3 2 347.503 1.407 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766389 452108567 /nfs/dbraw/zinc/10/85/67/452108567.db2.gz OTGQXTQZQAGRPE-QFBILLFUSA-N 2 2 333.476 1.122 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766389 452108572 /nfs/dbraw/zinc/10/85/72/452108572.db2.gz OTGQXTQZQAGRPE-QFBILLFUSA-N 2 2 333.476 1.122 20 0 EDADLP C[NH+](C)C1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000637927333 452175169 /nfs/dbraw/zinc/17/51/69/452175169.db2.gz NJJTYNCOJWAGEG-UHFFFAOYSA-N 3 2 347.503 1.924 20 0 EDADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@]1(O)CCOC1 ZINC000647339812 452182102 /nfs/dbraw/zinc/18/21/02/452182102.db2.gz AXRKVDTVFIIOIL-IBGZPJMESA-N 2 2 333.476 1.813 20 0 EDADLP CO[C@@](C)(CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643406878 452190214 /nfs/dbraw/zinc/19/02/14/452190214.db2.gz JMQBRPWMFARZBV-QAPCUYQASA-N 2 2 338.496 1.269 20 0 EDADLP CO[C@@](C)(CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643406878 452190220 /nfs/dbraw/zinc/19/02/20/452190220.db2.gz JMQBRPWMFARZBV-QAPCUYQASA-N 2 2 338.496 1.269 20 0 EDADLP CN(Cc1c[nH+]c(N)nc1N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000637945602 452193904 /nfs/dbraw/zinc/19/39/04/452193904.db2.gz CEMHECQFXWIUDQ-MRXNPFEDSA-N 2 2 326.448 1.398 20 0 EDADLP CN(Cc1c[nH+]c(N)nc1N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000637945602 452193909 /nfs/dbraw/zinc/19/39/09/452193909.db2.gz CEMHECQFXWIUDQ-MRXNPFEDSA-N 2 2 326.448 1.398 20 0 EDADLP C[NH+]1CCN([C@@H](CNC(=O)c2ccc(C[NH3+])o2)c2cccs2)CC1 ZINC000645182755 452198962 /nfs/dbraw/zinc/19/89/62/452198962.db2.gz KNSOKZHNUHTRQW-AWEZNQCLSA-N 2 2 348.472 1.518 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn21 ZINC000645235614 452227913 /nfs/dbraw/zinc/22/79/13/452227913.db2.gz WETFDLKHPGFXCE-KRWDZBQOSA-N 2 2 341.459 1.969 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cn21 ZINC000645235614 452227921 /nfs/dbraw/zinc/22/79/21/452227921.db2.gz WETFDLKHPGFXCE-KRWDZBQOSA-N 2 2 341.459 1.969 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)c2cc1C ZINC000647522015 452258421 /nfs/dbraw/zinc/25/84/21/452258421.db2.gz ZFMYSOGQJFJERJ-BXUZGUMPSA-N 2 2 331.338 1.527 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663551315 452259190 /nfs/dbraw/zinc/25/91/90/452259190.db2.gz HQKNTYHZPHKENQ-HOTGVXAUSA-N 2 2 340.512 1.515 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663551315 452259197 /nfs/dbraw/zinc/25/91/97/452259197.db2.gz HQKNTYHZPHKENQ-HOTGVXAUSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(CO)c1 ZINC000641787292 452259249 /nfs/dbraw/zinc/25/92/49/452259249.db2.gz UGGUXIYOGCOAQO-FXAWDEMLSA-N 2 2 347.503 1.626 20 0 EDADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786684 452259473 /nfs/dbraw/zinc/25/94/73/452259473.db2.gz RDJAWRUPVQXEAY-ZWKOTPCHSA-N 2 2 332.492 1.837 20 0 EDADLP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000655467472 452260863 /nfs/dbraw/zinc/26/08/63/452260863.db2.gz VYBNMUGGVSXLDI-PKOBYXMFSA-N 2 2 331.435 1.860 20 0 EDADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1(C)C ZINC000641787903 452262493 /nfs/dbraw/zinc/26/24/93/452262493.db2.gz WHTPSDUSVLHXFR-MSOLQXFVSA-N 3 2 338.540 1.245 20 0 EDADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1(C)C ZINC000641787903 452262501 /nfs/dbraw/zinc/26/25/01/452262501.db2.gz WHTPSDUSVLHXFR-MSOLQXFVSA-N 3 2 338.540 1.245 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@]1(C)CCCO1 ZINC000641787416 452263099 /nfs/dbraw/zinc/26/30/99/452263099.db2.gz VFUMBXBYPHLSGY-OKZBNKHCSA-N 2 2 325.497 1.330 20 0 EDADLP CC(C)n1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641787953 452264679 /nfs/dbraw/zinc/26/46/79/452264679.db2.gz GFVIPRZVNWLLGZ-GOSISDBHSA-N 2 2 335.496 1.350 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641789154 452266066 /nfs/dbraw/zinc/26/60/66/452266066.db2.gz ZKLGYBVHJGHJBE-WMZOPIPTSA-N 2 2 325.497 1.188 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000659428536 452272322 /nfs/dbraw/zinc/27/23/22/452272322.db2.gz AFXTZVLJOZPYGB-NSWWBONSSA-N 2 2 325.416 1.561 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000639960355 452286426 /nfs/dbraw/zinc/28/64/26/452286426.db2.gz OWZKWVOQKIXHGQ-IBGZPJMESA-N 2 2 347.503 1.890 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000639960355 452286435 /nfs/dbraw/zinc/28/64/35/452286435.db2.gz OWZKWVOQKIXHGQ-IBGZPJMESA-N 2 2 347.503 1.890 20 0 EDADLP CN(C(=O)c1cnc(C2CC2)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639962445 452288252 /nfs/dbraw/zinc/28/82/52/452288252.db2.gz UAPILPBRVJIHAZ-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP CN(C(=O)c1cnc(C2CC2)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639962445 452288261 /nfs/dbraw/zinc/28/82/61/452288261.db2.gz UAPILPBRVJIHAZ-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC/C=C/C[NH3+])CC2)c1 ZINC000641861819 452329264 /nfs/dbraw/zinc/32/92/64/452329264.db2.gz FJTCFXOEOIWFMY-BWPKMQGJSA-N 2 2 332.448 1.598 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000638056078 452342240 /nfs/dbraw/zinc/34/22/40/452342240.db2.gz LTUYTZZHAPUYGQ-UHFFFAOYSA-N 2 2 343.427 1.809 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C[N@@H+]1C1CC1 ZINC000657593998 452359084 /nfs/dbraw/zinc/35/90/84/452359084.db2.gz GDVBSOZNNPKNRZ-MOXGXCLJSA-N 3 2 329.488 1.968 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C[N@H+]1C1CC1 ZINC000657593998 452359095 /nfs/dbraw/zinc/35/90/95/452359095.db2.gz GDVBSOZNNPKNRZ-MOXGXCLJSA-N 3 2 329.488 1.968 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C[NH+]1C1CC1 ZINC000657593998 452359107 /nfs/dbraw/zinc/35/91/07/452359107.db2.gz GDVBSOZNNPKNRZ-MOXGXCLJSA-N 3 2 329.488 1.968 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[NH+]1C1CC1 ZINC000657593998 452359117 /nfs/dbraw/zinc/35/91/17/452359117.db2.gz GDVBSOZNNPKNRZ-MOXGXCLJSA-N 3 2 329.488 1.968 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)C1CCCC1 ZINC000659542273 452401738 /nfs/dbraw/zinc/40/17/38/452401738.db2.gz KVFYMITUKLSOGE-MRXNPFEDSA-N 2 2 331.464 1.999 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663672960 452409421 /nfs/dbraw/zinc/40/94/21/452409421.db2.gz DTLHRSYVOKIOQT-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP COc1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1O ZINC000663718061 452456221 /nfs/dbraw/zinc/45/62/21/452456221.db2.gz BIURTHYKHSOBGE-UHFFFAOYSA-N 2 2 338.452 1.084 20 0 EDADLP COc1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1O ZINC000663718061 452456229 /nfs/dbraw/zinc/45/62/29/452456229.db2.gz BIURTHYKHSOBGE-UHFFFAOYSA-N 2 2 338.452 1.084 20 0 EDADLP C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000663730724 452466021 /nfs/dbraw/zinc/46/60/21/452466021.db2.gz ZSWPEHSHPLYXEU-ZYHUDNBSSA-N 2 2 333.440 1.295 20 0 EDADLP C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000663730724 452466027 /nfs/dbraw/zinc/46/60/27/452466027.db2.gz ZSWPEHSHPLYXEU-ZYHUDNBSSA-N 2 2 333.440 1.295 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)c(F)c1 ZINC000652281697 452467193 /nfs/dbraw/zinc/46/71/93/452467193.db2.gz KKTLIWVVVDMTSD-UHFFFAOYSA-N 2 2 346.406 1.905 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000654417333 452470824 /nfs/dbraw/zinc/47/08/24/452470824.db2.gz LWXLKTYNFJPQTB-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000654417333 452470829 /nfs/dbraw/zinc/47/08/29/452470829.db2.gz LWXLKTYNFJPQTB-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654426208 452481453 /nfs/dbraw/zinc/48/14/53/452481453.db2.gz IJDZELVTEDLFRO-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654426208 452481456 /nfs/dbraw/zinc/48/14/56/452481456.db2.gz IJDZELVTEDLFRO-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654426208 452481459 /nfs/dbraw/zinc/48/14/59/452481459.db2.gz IJDZELVTEDLFRO-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654426208 452481464 /nfs/dbraw/zinc/48/14/64/452481464.db2.gz IJDZELVTEDLFRO-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000650046603 452482598 /nfs/dbraw/zinc/48/25/98/452482598.db2.gz JIEIDPZXPNLUGW-UHFFFAOYSA-N 2 2 347.419 1.147 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000659633445 452496570 /nfs/dbraw/zinc/49/65/70/452496570.db2.gz COVVIKKQDWSQQK-HZPDHXFCSA-N 2 2 348.491 1.909 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000659633445 452496579 /nfs/dbraw/zinc/49/65/79/452496579.db2.gz COVVIKKQDWSQQK-HZPDHXFCSA-N 2 2 348.491 1.909 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H]4COC[C@@]4(C)C3)c2cc1C ZINC000661700140 452503427 /nfs/dbraw/zinc/50/34/27/452503427.db2.gz IRLWKFWNBCQYJS-GPMSIDNRSA-N 2 2 329.444 1.982 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H]4COC[C@@]4(C)C3)c2cc1C ZINC000661700140 452503436 /nfs/dbraw/zinc/50/34/36/452503436.db2.gz IRLWKFWNBCQYJS-GPMSIDNRSA-N 2 2 329.444 1.982 20 0 EDADLP OCCn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655698766 452519735 /nfs/dbraw/zinc/51/97/35/452519735.db2.gz XWDBAWJTOCAFFK-NVXWUHKLSA-N 2 2 334.464 1.096 20 0 EDADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000652353988 452532053 /nfs/dbraw/zinc/53/20/53/452532053.db2.gz JVQXAWMZOUZUKG-WMLDXEAASA-N 2 2 346.475 1.776 20 0 EDADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000652353988 452532058 /nfs/dbraw/zinc/53/20/58/452532058.db2.gz JVQXAWMZOUZUKG-WMLDXEAASA-N 2 2 346.475 1.776 20 0 EDADLP CC[C@H]([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C(=O)NCc1cccs1 ZINC000647802853 452534191 /nfs/dbraw/zinc/53/41/91/452534191.db2.gz VRUQZLHRZQJGKP-XHSDSOJGSA-N 2 2 337.489 1.500 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cn21 ZINC000647804556 452536884 /nfs/dbraw/zinc/53/68/84/452536884.db2.gz URBNTTXEDPWSBH-KZNAEPCWSA-N 3 2 328.460 1.932 20 0 EDADLP O=C1[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCN1c1ccccc1 ZINC000655724296 452537170 /nfs/dbraw/zinc/53/71/70/452537170.db2.gz TWNSBXVILZYGKY-ROUUACIJSA-N 2 2 329.444 1.635 20 0 EDADLP NC(=O)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655755139 452559804 /nfs/dbraw/zinc/55/98/04/452559804.db2.gz QRQJDTKTMDTFMQ-SJORKVTESA-N 2 2 335.423 1.585 20 0 EDADLP C[C@H](Cc1ccccn1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000655836049 452603749 /nfs/dbraw/zinc/60/37/49/452603749.db2.gz BKAVKIGVWKUZBK-QGZVFWFLSA-N 2 2 332.492 1.399 20 0 EDADLP C[C@H](Cc1ccccn1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000655836049 452603755 /nfs/dbraw/zinc/60/37/55/452603755.db2.gz BKAVKIGVWKUZBK-QGZVFWFLSA-N 2 2 332.492 1.399 20 0 EDADLP C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000661828366 452614076 /nfs/dbraw/zinc/61/40/76/452614076.db2.gz SVCFJRLAJPSWJM-HRCADAONSA-N 2 2 344.459 1.012 20 0 EDADLP O=C(C[NH2+][C@@H]1C[C@H](O)C12CCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661833972 452618303 /nfs/dbraw/zinc/61/83/03/452618303.db2.gz CLWJMFLFDBEIGA-MSOLQXFVSA-N 2 2 343.471 1.224 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(C)([NH3+])CC2)cc1F ZINC000647925813 452663618 /nfs/dbraw/zinc/66/36/18/452663618.db2.gz YLMHDEDNHTUSKL-CYBMUJFWSA-N 2 2 337.439 1.994 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3CCC[N@H+]3CCCO)nc[nH+]2)CC1 ZINC000663948619 452666569 /nfs/dbraw/zinc/66/65/69/452666569.db2.gz BCGGNVXWSGTPNM-OAHLLOKOSA-N 2 2 349.479 1.087 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583237 452668505 /nfs/dbraw/zinc/66/85/05/452668505.db2.gz LCKGMSWZOXUCTR-APIJFGDWSA-N 2 2 337.468 1.761 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583237 452668509 /nfs/dbraw/zinc/66/85/09/452668509.db2.gz LCKGMSWZOXUCTR-APIJFGDWSA-N 2 2 337.468 1.761 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCc2cccc(OCCOC)c2)CC[C@H]1[NH3+] ZINC000647937118 452679324 /nfs/dbraw/zinc/67/93/24/452679324.db2.gz RCGWXSBOGFDMDK-FUHWJXTLSA-N 2 2 349.475 1.387 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCc2cccc(OCCOC)c2)CC[C@H]1[NH3+] ZINC000647937118 452679331 /nfs/dbraw/zinc/67/93/31/452679331.db2.gz RCGWXSBOGFDMDK-FUHWJXTLSA-N 2 2 349.475 1.387 20 0 EDADLP CCC[N@H+](C)CC(C)(C)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000663971355 452682822 /nfs/dbraw/zinc/68/28/22/452682822.db2.gz XVOLMUKXXZGOMO-UHFFFAOYSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](C)CC(C)(C)NC(=O)NCC[NH+]1CCOCC1(C)C ZINC000663971355 452682828 /nfs/dbraw/zinc/68/28/28/452682828.db2.gz XVOLMUKXXZGOMO-UHFFFAOYSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](C)CC(C)(C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000663971355 452682836 /nfs/dbraw/zinc/68/28/36/452682836.db2.gz XVOLMUKXXZGOMO-UHFFFAOYSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](C)CC(C)(C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000663971355 452682841 /nfs/dbraw/zinc/68/28/41/452682841.db2.gz XVOLMUKXXZGOMO-UHFFFAOYSA-N 2 2 328.501 1.517 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655926750 452693969 /nfs/dbraw/zinc/69/39/69/452693969.db2.gz FVUBSLXAYUJADA-GFCCVEGCSA-N 2 2 331.342 1.111 20 0 EDADLP C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1[nH+]ccn1C ZINC000666241471 452711704 /nfs/dbraw/zinc/71/17/04/452711704.db2.gz LWCRJZYSELZPDW-LLVKDONJSA-N 2 2 344.419 1.463 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000659876559 452753246 /nfs/dbraw/zinc/75/32/46/452753246.db2.gz KFDKBORHHMWBQG-GOSISDBHSA-N 2 2 335.492 1.911 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)C[NH+](C)C(C)C ZINC000659876559 452753251 /nfs/dbraw/zinc/75/32/51/452753251.db2.gz KFDKBORHHMWBQG-GOSISDBHSA-N 2 2 335.492 1.911 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000659876559 452753252 /nfs/dbraw/zinc/75/32/52/452753252.db2.gz KFDKBORHHMWBQG-GOSISDBHSA-N 2 2 335.492 1.911 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659876559 452753257 /nfs/dbraw/zinc/75/32/57/452753257.db2.gz KFDKBORHHMWBQG-GOSISDBHSA-N 2 2 335.492 1.911 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000658255452 452810814 /nfs/dbraw/zinc/81/08/14/452810814.db2.gz UQGQGWKYGHVEJB-MJGOQNOKSA-N 2 2 328.504 1.881 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000658255452 452810823 /nfs/dbraw/zinc/81/08/23/452810823.db2.gz UQGQGWKYGHVEJB-MJGOQNOKSA-N 2 2 328.504 1.881 20 0 EDADLP CCn1nccc1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118605 452835714 /nfs/dbraw/zinc/83/57/14/452835714.db2.gz WHBONTGKMSDSDI-OAHLLOKOSA-N 2 2 342.447 1.421 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000648118579 452836099 /nfs/dbraw/zinc/83/60/99/452836099.db2.gz RNWIMWDPPJSLEW-HOTGVXAUSA-N 3 2 345.491 1.423 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000666421104 452855588 /nfs/dbraw/zinc/85/55/88/452855588.db2.gz YTYITYLFAMXWBW-HUUCEWRRSA-N 2 2 325.416 1.704 20 0 EDADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658345090 452858891 /nfs/dbraw/zinc/85/88/91/452858891.db2.gz YRXSLRUDRPTRLG-PXNSSMCTSA-N 2 2 339.487 1.813 20 0 EDADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658345090 452858896 /nfs/dbraw/zinc/85/88/96/452858896.db2.gz YRXSLRUDRPTRLG-PXNSSMCTSA-N 2 2 339.487 1.813 20 0 EDADLP CC1(OCC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[NH2+]C1 ZINC000648164856 452874958 /nfs/dbraw/zinc/87/49/58/452874958.db2.gz BTDAJXBONUPRKX-UHFFFAOYSA-N 2 2 338.411 1.919 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648166238 452876373 /nfs/dbraw/zinc/87/63/73/452876373.db2.gz ACHUBFCVCOXHOD-CYBMUJFWSA-N 2 2 328.407 1.929 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C1 ZINC000662151209 452886910 /nfs/dbraw/zinc/88/69/10/452886910.db2.gz GFFUVGSIOOXZME-GFCCVEGCSA-N 2 2 328.350 1.434 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCOCC(F)(F)C(F)F)CC2)C1 ZINC000662151209 452886918 /nfs/dbraw/zinc/88/69/18/452886918.db2.gz GFFUVGSIOOXZME-GFCCVEGCSA-N 2 2 328.350 1.434 20 0 EDADLP CN(C(=O)NCCc1ccoc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000666479217 452898057 /nfs/dbraw/zinc/89/80/57/452898057.db2.gz NVKRABNOLRQZCZ-KRWDZBQOSA-N 2 2 334.464 1.632 20 0 EDADLP CN(C(=O)NCCc1ccoc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000666479217 452898066 /nfs/dbraw/zinc/89/80/66/452898066.db2.gz NVKRABNOLRQZCZ-KRWDZBQOSA-N 2 2 334.464 1.632 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[NH+](C4CC4)CC3)cn21 ZINC000645932481 452912336 /nfs/dbraw/zinc/91/23/36/452912336.db2.gz NGFDPJFELHTMAA-UHFFFAOYSA-N 2 2 327.432 1.675 20 0 EDADLP c1cc(N2CCOCC2)nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH+]1 ZINC000656230665 452976000 /nfs/dbraw/zinc/97/60/00/452976000.db2.gz KMRQIYZXYYWCTL-MRXNPFEDSA-N 2 2 347.463 1.004 20 0 EDADLP CCC[N@H+](C[C@H]1C[NH2+]CCO1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662254403 452982258 /nfs/dbraw/zinc/98/22/58/452982258.db2.gz QEJYTHZSBUNKCC-LJQANCHMSA-N 2 2 345.487 1.992 20 0 EDADLP CCC[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662254403 452982267 /nfs/dbraw/zinc/98/22/67/452982267.db2.gz QEJYTHZSBUNKCC-LJQANCHMSA-N 2 2 345.487 1.992 20 0 EDADLP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256794 452985338 /nfs/dbraw/zinc/98/53/38/452985338.db2.gz KORFTJHNWZNDLJ-CHWSQXEVSA-N 2 2 337.386 1.098 20 0 EDADLP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256794 452985342 /nfs/dbraw/zinc/98/53/42/452985342.db2.gz KORFTJHNWZNDLJ-CHWSQXEVSA-N 2 2 337.386 1.098 20 0 EDADLP CCO[C@@H]1C[C@@](CO)([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1(C)C ZINC000656258938 452994184 /nfs/dbraw/zinc/99/41/84/452994184.db2.gz XBMSDQTWHVZAQJ-NUJGCVRESA-N 2 2 326.481 1.395 20 0 EDADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1C(C)C ZINC000648316216 452998681 /nfs/dbraw/zinc/99/86/81/452998681.db2.gz PJJQXNCREIWBEY-OAHLLOKOSA-N 2 2 333.480 1.671 20 0 EDADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1C(C)C ZINC000648316216 452998688 /nfs/dbraw/zinc/99/86/88/452998688.db2.gz PJJQXNCREIWBEY-OAHLLOKOSA-N 2 2 333.480 1.671 20 0 EDADLP CO[C@@H](C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1)c1ccccc1 ZINC000662275594 453001393 /nfs/dbraw/zinc/00/13/93/453001393.db2.gz CKZRQCFQTPHOTQ-KRWDZBQOSA-N 2 2 341.459 1.948 20 0 EDADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286738 453011522 /nfs/dbraw/zinc/01/15/22/453011522.db2.gz KPJAFHPUXGTYPS-GFCCVEGCSA-N 2 2 341.402 1.188 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)CN(C)CC(C)(C)[NH3+])CC2)cc1 ZINC000662293076 453017029 /nfs/dbraw/zinc/01/70/29/453017029.db2.gz NMYJLHIUFKXQQI-UHFFFAOYSA-N 2 2 348.491 1.009 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000662321310 453037643 /nfs/dbraw/zinc/03/76/43/453037643.db2.gz QPZJSRKITFDGGY-CYBMUJFWSA-N 2 2 334.386 1.988 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCOCc2ccccc2)CC1 ZINC000660120313 453048098 /nfs/dbraw/zinc/04/80/98/453048098.db2.gz IGDYZCOWWDTWMS-GOSISDBHSA-N 2 2 331.460 1.617 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCOCc2ccccc2)CC1 ZINC000660120313 453048106 /nfs/dbraw/zinc/04/81/06/453048106.db2.gz IGDYZCOWWDTWMS-GOSISDBHSA-N 2 2 331.460 1.617 20 0 EDADLP C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@](C)(C(F)F)O1 ZINC000662335767 453054157 /nfs/dbraw/zinc/05/41/57/453054157.db2.gz QOZYNWUHHHKTIG-QEWYBTABSA-N 2 2 328.403 1.662 20 0 EDADLP C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@](C)(C(F)F)O1 ZINC000662335767 453054165 /nfs/dbraw/zinc/05/41/65/453054165.db2.gz QOZYNWUHHHKTIG-QEWYBTABSA-N 2 2 328.403 1.662 20 0 EDADLP CC1CC[NH+](CC(=O)NCc2nc(C[NH+]3CCCCC3)no2)CC1 ZINC000646105042 453108859 /nfs/dbraw/zinc/10/88/59/453108859.db2.gz GSOMQLIELUWHIX-UHFFFAOYSA-N 2 2 335.452 1.404 20 0 EDADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000666785488 453146861 /nfs/dbraw/zinc/14/68/61/453146861.db2.gz AVWNTIMASXCAKC-QGZVFWFLSA-N 2 2 339.505 1.823 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000664520911 453161107 /nfs/dbraw/zinc/16/11/07/453161107.db2.gz JRFOIMPKIWKZJA-BZUAXINKSA-N 2 2 338.496 1.127 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000664520911 453161118 /nfs/dbraw/zinc/16/11/18/453161118.db2.gz JRFOIMPKIWKZJA-BZUAXINKSA-N 2 2 338.496 1.127 20 0 EDADLP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000650994933 453171940 /nfs/dbraw/zinc/17/19/40/453171940.db2.gz WTWCZVVCRDOTFA-GOEBONIOSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1c(C)noc1C ZINC000664534702 453174465 /nfs/dbraw/zinc/17/44/65/453174465.db2.gz JPCLJZYNHUSLQJ-OAHLLOKOSA-N 2 2 339.484 1.925 20 0 EDADLP CC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1c(C)noc1C ZINC000664534702 453174469 /nfs/dbraw/zinc/17/44/69/453174469.db2.gz JPCLJZYNHUSLQJ-OAHLLOKOSA-N 2 2 339.484 1.925 20 0 EDADLP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000662492171 453209935 /nfs/dbraw/zinc/20/99/35/453209935.db2.gz DPJZAXADGAJNGT-UHFFFAOYSA-N 2 2 329.404 1.885 20 0 EDADLP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000662492171 453209942 /nfs/dbraw/zinc/20/99/42/453209942.db2.gz DPJZAXADGAJNGT-UHFFFAOYSA-N 2 2 329.404 1.885 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cn21 ZINC000646209527 453222722 /nfs/dbraw/zinc/22/27/22/453222722.db2.gz BPINQOZFKVOMOH-HRCADAONSA-N 2 2 341.459 1.873 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000646211573 453224722 /nfs/dbraw/zinc/22/47/22/453224722.db2.gz PYZBTSNKJPAWQW-HOTGVXAUSA-N 2 2 348.491 1.957 20 0 EDADLP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)nc2c1CCC2 ZINC000656499590 453228576 /nfs/dbraw/zinc/22/85/76/453228576.db2.gz UWIYOHAYCMUNGJ-GOSISDBHSA-N 2 2 330.476 1.066 20 0 EDADLP COc1cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1OC(F)F ZINC000653061415 453236468 /nfs/dbraw/zinc/23/64/68/453236468.db2.gz OUNUBVXVIFZLRW-LLVKDONJSA-N 2 2 331.363 1.192 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000666920609 453242565 /nfs/dbraw/zinc/24/25/65/453242565.db2.gz YWHCJDIFXLWWRK-KBPBESRZSA-N 2 2 337.468 1.263 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000666920609 453242568 /nfs/dbraw/zinc/24/25/68/453242568.db2.gz YWHCJDIFXLWWRK-KBPBESRZSA-N 2 2 337.468 1.263 20 0 EDADLP COc1cc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1OC(C)C ZINC000653069043 453248177 /nfs/dbraw/zinc/24/81/77/453248177.db2.gz ACUTYOWYFYAFBO-DZGCQCFKSA-N 2 2 337.464 1.939 20 0 EDADLP CC(C)c1nc(-c2ccccc2NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n[nH]1 ZINC000653074899 453253185 /nfs/dbraw/zinc/25/31/85/453253185.db2.gz ZXSUMVMKKSXJEG-ZDUSSCGKSA-N 2 2 330.436 1.813 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000653075041 453253493 /nfs/dbraw/zinc/25/34/93/453253493.db2.gz CAFDZKZMDPXSSS-QGZVFWFLSA-N 2 2 346.475 1.711 20 0 EDADLP CN(C)c1nc(NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)cc[nH+]1 ZINC000664628563 453264234 /nfs/dbraw/zinc/26/42/34/453264234.db2.gz QUIAXYMMZBKIBP-QGZVFWFLSA-N 2 2 340.475 1.771 20 0 EDADLP CN(C)c1nc(NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000664628563 453264242 /nfs/dbraw/zinc/26/42/42/453264242.db2.gz QUIAXYMMZBKIBP-QGZVFWFLSA-N 2 2 340.475 1.771 20 0 EDADLP CN(C)c1nc(NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000664628563 453264249 /nfs/dbraw/zinc/26/42/49/453264249.db2.gz QUIAXYMMZBKIBP-QGZVFWFLSA-N 2 2 340.475 1.771 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(OC)o3)CC2)CC1 ZINC000655152438 453266052 /nfs/dbraw/zinc/26/60/52/453266052.db2.gz PIVFUCBSIJCXEZ-UHFFFAOYSA-N 2 2 335.448 1.920 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(OC)o3)CC2)CC1 ZINC000655152438 453266061 /nfs/dbraw/zinc/26/60/61/453266061.db2.gz PIVFUCBSIJCXEZ-UHFFFAOYSA-N 2 2 335.448 1.920 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265051 453270208 /nfs/dbraw/zinc/27/02/08/453270208.db2.gz KFEYOMJCFOAALK-DZASIIFFSA-N 2 2 344.459 1.309 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000653089253 453272701 /nfs/dbraw/zinc/27/27/01/453272701.db2.gz CHPVYQWORQCNOZ-GOSISDBHSA-N 2 2 333.476 1.721 20 0 EDADLP COc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1OC1CCCC1 ZINC000653090473 453272815 /nfs/dbraw/zinc/27/28/15/453272815.db2.gz QCOYXMLQPLFXEJ-INIZCTEOSA-N 2 2 349.475 1.912 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269715 453276433 /nfs/dbraw/zinc/27/64/33/453276433.db2.gz WTWBSWFZBIQRKK-UKRRQHHQSA-N 2 2 329.803 1.316 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269715 453276442 /nfs/dbraw/zinc/27/64/42/453276442.db2.gz WTWBSWFZBIQRKK-UKRRQHHQSA-N 2 2 329.803 1.316 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+]1CCCC1 ZINC000653105945 453287575 /nfs/dbraw/zinc/28/75/75/453287575.db2.gz NVERYNLGOZDJOL-SJORKVTESA-N 3 2 348.491 1.227 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000653105423 453287954 /nfs/dbraw/zinc/28/79/54/453287954.db2.gz VEMMSYFVOFLGQQ-ROUUACIJSA-N 2 2 331.460 1.393 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]CC1 ZINC000653105423 453287962 /nfs/dbraw/zinc/28/79/62/453287962.db2.gz VEMMSYFVOFLGQQ-ROUUACIJSA-N 2 2 331.460 1.393 20 0 EDADLP C[C@@H]1CN(c2ccccc2NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653108715 453293833 /nfs/dbraw/zinc/29/38/33/453293833.db2.gz FKUFAPQYSLJGPP-ZNMIVQPWSA-N 2 2 334.464 1.518 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H](N)CC[NH+](C)C)C[C@H](C)O1 ZINC000653110540 453295466 /nfs/dbraw/zinc/29/54/66/453295466.db2.gz LSBOGMLMLNLXJA-UXLLHSPISA-N 2 2 348.491 1.513 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H](N)CC[NH+](C)C)C[C@H](C)O1 ZINC000653110540 453295475 /nfs/dbraw/zinc/29/54/75/453295475.db2.gz LSBOGMLMLNLXJA-UXLLHSPISA-N 2 2 348.491 1.513 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653110540 453295485 /nfs/dbraw/zinc/29/54/85/453295485.db2.gz LSBOGMLMLNLXJA-UXLLHSPISA-N 3 2 348.491 1.513 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653110540 453295489 /nfs/dbraw/zinc/29/54/89/453295489.db2.gz LSBOGMLMLNLXJA-UXLLHSPISA-N 3 2 348.491 1.513 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653112857 453299992 /nfs/dbraw/zinc/29/99/92/453299992.db2.gz LEGGVYNAKNUQKL-ZWKOTPCHSA-N 3 2 332.492 1.294 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653112857 453299996 /nfs/dbraw/zinc/29/99/96/453299996.db2.gz LEGGVYNAKNUQKL-ZWKOTPCHSA-N 3 2 332.492 1.294 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000653114098 453302180 /nfs/dbraw/zinc/30/21/80/453302180.db2.gz YAMLQFFCLLHKNC-ZWKOTPCHSA-N 3 2 332.492 1.527 20 0 EDADLP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000653115495 453302780 /nfs/dbraw/zinc/30/27/80/453302780.db2.gz QQKCJZFQINQDMZ-QZTJIDSGSA-N 2 2 329.444 1.567 20 0 EDADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653122822 453315249 /nfs/dbraw/zinc/31/52/49/453315249.db2.gz FLODUXUIECZXOW-MOPGFXCFSA-N 3 2 346.519 1.636 20 0 EDADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653122822 453315257 /nfs/dbraw/zinc/31/52/57/453315257.db2.gz FLODUXUIECZXOW-MOPGFXCFSA-N 3 2 346.519 1.636 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[N@@H+]1CCc2sccc2C1 ZINC000651167721 453328290 /nfs/dbraw/zinc/32/82/90/453328290.db2.gz ULHPFYSIPXMYCW-UHFFFAOYSA-N 2 2 344.484 1.998 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[N@H+]1CCc2sccc2C1 ZINC000651167721 453328300 /nfs/dbraw/zinc/32/83/00/453328300.db2.gz ULHPFYSIPXMYCW-UHFFFAOYSA-N 2 2 344.484 1.998 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000646366674 453350841 /nfs/dbraw/zinc/35/08/41/453350841.db2.gz TUBPBJOMLDCFSG-HNNXBMFYSA-N 2 2 329.435 1.812 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000655270917 453387363 /nfs/dbraw/zinc/38/73/63/453387363.db2.gz OGQKPORBFDOOPY-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000655270917 453387371 /nfs/dbraw/zinc/38/73/71/453387371.db2.gz OGQKPORBFDOOPY-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000646445259 453391516 /nfs/dbraw/zinc/39/15/16/453391516.db2.gz QQCDTUOGJBRKCW-GJZGRUSLSA-N 2 2 345.434 1.285 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000646445259 453391525 /nfs/dbraw/zinc/39/15/25/453391525.db2.gz QQCDTUOGJBRKCW-GJZGRUSLSA-N 2 2 345.434 1.285 20 0 EDADLP Cc1cccc2c1O[C@@H](C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000648926414 453401973 /nfs/dbraw/zinc/40/19/73/453401973.db2.gz RCCFETJQTIKBPG-FUHWJXTLSA-N 2 2 343.471 1.583 20 0 EDADLP Cc1cccc2c1O[C@@H](C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000648926414 453401985 /nfs/dbraw/zinc/40/19/85/453401985.db2.gz RCCFETJQTIKBPG-FUHWJXTLSA-N 2 2 343.471 1.583 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662715775 453439296 /nfs/dbraw/zinc/43/92/96/453439296.db2.gz VNZDXGFIQTXOJD-AWEZNQCLSA-N 2 2 327.375 1.192 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662715775 453439302 /nfs/dbraw/zinc/43/93/02/453439302.db2.gz VNZDXGFIQTXOJD-AWEZNQCLSA-N 2 2 327.375 1.192 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000660614926 453454779 /nfs/dbraw/zinc/45/47/79/453454779.db2.gz KDDRXHCQPOLKSC-CYBMUJFWSA-N 2 2 337.468 1.670 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662744165 453471670 /nfs/dbraw/zinc/47/16/70/453471670.db2.gz OGKONWGUDNMKOQ-IRXDYDNUSA-N 2 2 346.475 1.510 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCc1ccc3c(c1)OCO3)C2 ZINC000660655365 453492457 /nfs/dbraw/zinc/49/24/57/453492457.db2.gz GTFWCIFSOJKZHW-LJQANCHMSA-N 2 2 345.443 1.449 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCc1ccc3c(c1)OCO3)C2 ZINC000660655365 453492464 /nfs/dbraw/zinc/49/24/64/453492464.db2.gz GTFWCIFSOJKZHW-LJQANCHMSA-N 2 2 345.443 1.449 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NCc1ccc3c(c1)OCO3)C2 ZINC000660655365 453492469 /nfs/dbraw/zinc/49/24/69/453492469.db2.gz GTFWCIFSOJKZHW-LJQANCHMSA-N 2 2 345.443 1.449 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NCc1ccc3c(c1)OCO3)C2 ZINC000660655365 453492473 /nfs/dbraw/zinc/49/24/73/453492473.db2.gz GTFWCIFSOJKZHW-LJQANCHMSA-N 2 2 345.443 1.449 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000662766546 453505193 /nfs/dbraw/zinc/50/51/93/453505193.db2.gz SCLDWIDDGKZGHU-UKRRQHHQSA-N 2 2 341.415 1.358 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000662766546 453505201 /nfs/dbraw/zinc/50/52/01/453505201.db2.gz SCLDWIDDGKZGHU-UKRRQHHQSA-N 2 2 341.415 1.358 20 0 EDADLP Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)c2cccc(F)c2[nH+]1 ZINC000651383283 453522701 /nfs/dbraw/zinc/52/27/01/453522701.db2.gz SMIVOYPWTPHQRI-UHFFFAOYSA-N 2 2 330.407 1.893 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCOC(C)(C)C)C2)CC1 ZINC000660709805 453537670 /nfs/dbraw/zinc/53/76/70/453537670.db2.gz BGTONNMIKVPESM-OAHLLOKOSA-N 2 2 340.512 1.659 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCOC(C)(C)C)C2)CC1 ZINC000660709805 453537677 /nfs/dbraw/zinc/53/76/77/453537677.db2.gz BGTONNMIKVPESM-OAHLLOKOSA-N 2 2 340.512 1.659 20 0 EDADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000662808904 453542624 /nfs/dbraw/zinc/54/26/24/453542624.db2.gz DDACIYXZXNLBRW-GDBMZVCRSA-N 2 2 337.851 1.178 20 0 EDADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000662808904 453542628 /nfs/dbraw/zinc/54/26/28/453542628.db2.gz DDACIYXZXNLBRW-GDBMZVCRSA-N 2 2 337.851 1.178 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662809764 453542967 /nfs/dbraw/zinc/54/29/67/453542967.db2.gz KQZBRRXURGMSMV-HNNXBMFYSA-N 2 2 349.385 1.483 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665047018 453551902 /nfs/dbraw/zinc/55/19/02/453551902.db2.gz YYFRJXGQXYCQPS-DZGCQCFKSA-N 2 2 335.452 1.205 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000665047018 453551904 /nfs/dbraw/zinc/55/19/04/453551904.db2.gz YYFRJXGQXYCQPS-DZGCQCFKSA-N 2 2 335.452 1.205 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662899451 453594538 /nfs/dbraw/zinc/59/45/38/453594538.db2.gz DCVPKGWIIMWKJW-KXBFYZLASA-N 3 2 344.503 1.947 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662899451 453594540 /nfs/dbraw/zinc/59/45/40/453594540.db2.gz DCVPKGWIIMWKJW-KXBFYZLASA-N 3 2 344.503 1.947 20 0 EDADLP CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900956 453595330 /nfs/dbraw/zinc/59/53/30/453595330.db2.gz QQUGVNRMIAGQHL-RTBURBONSA-N 3 2 344.503 1.356 20 0 EDADLP CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900956 453595332 /nfs/dbraw/zinc/59/53/32/453595332.db2.gz QQUGVNRMIAGQHL-RTBURBONSA-N 3 2 344.503 1.356 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900928 453596270 /nfs/dbraw/zinc/59/62/70/453596270.db2.gz QFZUYFSDXXVTKA-DLBZAZTESA-N 3 2 338.540 1.638 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900928 453596272 /nfs/dbraw/zinc/59/62/72/453596272.db2.gz QFZUYFSDXXVTKA-DLBZAZTESA-N 3 2 338.540 1.638 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000660855545 453613763 /nfs/dbraw/zinc/61/37/63/453613763.db2.gz QHJVQJFYFYXQSF-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000660855545 453613768 /nfs/dbraw/zinc/61/37/68/453613768.db2.gz QHJVQJFYFYXQSF-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660855545 453613774 /nfs/dbraw/zinc/61/37/74/453613774.db2.gz QHJVQJFYFYXQSF-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660855545 453613779 /nfs/dbraw/zinc/61/37/79/453613779.db2.gz QHJVQJFYFYXQSF-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662942622 453617881 /nfs/dbraw/zinc/61/78/81/453617881.db2.gz YCECCZUETQTEIR-CYBMUJFWSA-N 2 2 335.452 1.152 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000665463907 453702659 /nfs/dbraw/zinc/70/26/59/453702659.db2.gz REGZCAAIOVXYGR-UHOSZYNNSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000665463907 453702662 /nfs/dbraw/zinc/70/26/62/453702662.db2.gz REGZCAAIOVXYGR-UHOSZYNNSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000665463907 453702665 /nfs/dbraw/zinc/70/26/65/453702665.db2.gz REGZCAAIOVXYGR-UHOSZYNNSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000665463907 453702669 /nfs/dbraw/zinc/70/26/69/453702669.db2.gz REGZCAAIOVXYGR-UHOSZYNNSA-N 2 2 343.471 1.822 20 0 EDADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663304870 453763210 /nfs/dbraw/zinc/76/32/10/453763210.db2.gz UINCFQPZJKCXLB-VQIMIIECSA-N 2 2 345.487 1.843 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000657316181 453764779 /nfs/dbraw/zinc/76/47/79/453764779.db2.gz AKXQOPOTGRTTKU-CYBMUJFWSA-N 2 2 348.472 1.930 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657355866 453773053 /nfs/dbraw/zinc/77/30/53/453773053.db2.gz BYBMFOMSIXJPTK-UHFFFAOYSA-N 2 2 347.385 1.081 20 0 EDADLP c1c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)nnn1Cc1cccnc1 ZINC000663345921 453775602 /nfs/dbraw/zinc/77/56/02/453775602.db2.gz OUDJCHOHVOFMGO-KRWDZBQOSA-N 2 2 340.475 1.933 20 0 EDADLP c1c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)nnn1Cc1cccnc1 ZINC000663345921 453775604 /nfs/dbraw/zinc/77/56/04/453775604.db2.gz OUDJCHOHVOFMGO-KRWDZBQOSA-N 2 2 340.475 1.933 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657375396 453777606 /nfs/dbraw/zinc/77/76/06/453777606.db2.gz YKGORJJTAIGBGA-KRWDZBQOSA-N 2 2 337.427 1.758 20 0 EDADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663372176 453782230 /nfs/dbraw/zinc/78/22/30/453782230.db2.gz FVMFBEIHBNPTKB-UXHICEINSA-N 2 2 349.519 1.568 20 0 EDADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663372176 453782235 /nfs/dbraw/zinc/78/22/35/453782235.db2.gz FVMFBEIHBNPTKB-UXHICEINSA-N 2 2 349.519 1.568 20 0 EDADLP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000657401586 453782453 /nfs/dbraw/zinc/78/24/53/453782453.db2.gz WUEZRIWRBKKPKA-UKRRQHHQSA-N 2 2 346.397 1.906 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NCCC[NH+]2CCC(O)CC2)nc[nH+]1 ZINC000663403631 453790586 /nfs/dbraw/zinc/79/05/86/453790586.db2.gz XFKGIJIEPFVKSN-OAHLLOKOSA-N 2 2 349.479 1.087 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NCCC[NH+]2CCC(O)CC2)[nH+]cn1 ZINC000663403631 453790589 /nfs/dbraw/zinc/79/05/89/453790589.db2.gz XFKGIJIEPFVKSN-OAHLLOKOSA-N 2 2 349.479 1.087 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)CO1 ZINC000663417923 453793053 /nfs/dbraw/zinc/79/30/53/453793053.db2.gz ZJZUSQSDQHGDPV-NUJGCVRESA-N 2 2 348.491 1.698 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)CO1 ZINC000663417923 453793055 /nfs/dbraw/zinc/79/30/55/453793055.db2.gz ZJZUSQSDQHGDPV-NUJGCVRESA-N 2 2 348.491 1.698 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663451485 453801692 /nfs/dbraw/zinc/80/16/92/453801692.db2.gz RZVKBWCYLWCDSN-HNNXBMFYSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663451485 453801694 /nfs/dbraw/zinc/80/16/94/453801694.db2.gz RZVKBWCYLWCDSN-HNNXBMFYSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663451485 453801697 /nfs/dbraw/zinc/80/16/97/453801697.db2.gz RZVKBWCYLWCDSN-HNNXBMFYSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663451485 453801700 /nfs/dbraw/zinc/80/17/00/453801700.db2.gz RZVKBWCYLWCDSN-HNNXBMFYSA-N 2 2 333.480 1.970 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CCO1 ZINC000663460656 453803706 /nfs/dbraw/zinc/80/37/06/453803706.db2.gz CHOXHMCWQJTFBM-MRXNPFEDSA-N 2 2 345.447 1.587 20 0 EDADLP CCOc1cc(C[NH2+][C@H](C)C[NH2+]C)ccc1O[C@H](C)C(=O)N(C)C ZINC000663511071 453813061 /nfs/dbraw/zinc/81/30/61/453813061.db2.gz VCKYWWUAEOCFLT-ZIAGYGMSSA-N 2 2 337.464 1.638 20 0 EDADLP C[NH2+]C[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000663510506 453813123 /nfs/dbraw/zinc/81/31/23/453813123.db2.gz QZNPYWMRBJPDHS-ZDUSSCGKSA-N 2 2 330.432 1.946 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000672157970 486657638 /nfs/dbraw/zinc/65/76/38/486657638.db2.gz MAHGCKIGQWWADT-ANQUJSFKSA-N 2 2 334.464 1.448 20 0 EDADLP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676234237 486699267 /nfs/dbraw/zinc/69/92/67/486699267.db2.gz WJORSTRDWQSRHU-BFHYXJOUSA-N 2 2 340.493 1.369 20 0 EDADLP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676234237 486699269 /nfs/dbraw/zinc/69/92/69/486699269.db2.gz WJORSTRDWQSRHU-BFHYXJOUSA-N 2 2 340.493 1.369 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000680328967 486751768 /nfs/dbraw/zinc/75/17/68/486751768.db2.gz MUULHEKYMCXRHE-UHFFFAOYSA-N 2 2 334.445 1.585 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000680339589 486753714 /nfs/dbraw/zinc/75/37/14/486753714.db2.gz SEJRATMSJKFQSY-IBGZPJMESA-N 2 2 342.418 1.674 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)[C@H](C[NH3+])C1 ZINC000667480091 486799738 /nfs/dbraw/zinc/79/97/38/486799738.db2.gz UMRGOOYBBVFMOF-MRXNPFEDSA-N 2 2 330.432 1.776 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000417783517 486811610 /nfs/dbraw/zinc/81/16/10/486811610.db2.gz ZIDNTIFCETVVBV-HZSPNIEDSA-N 2 2 347.467 1.056 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]cn1 ZINC000417783517 486811615 /nfs/dbraw/zinc/81/16/15/486811615.db2.gz ZIDNTIFCETVVBV-HZSPNIEDSA-N 2 2 347.467 1.056 20 0 EDADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000676639389 486829781 /nfs/dbraw/zinc/82/97/81/486829781.db2.gz KZPWYUYKTZMYHY-ZDUSSCGKSA-N 2 2 348.447 1.078 20 0 EDADLP O=C1C[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)N1c1ccccc1 ZINC000683921978 486869311 /nfs/dbraw/zinc/86/93/11/486869311.db2.gz GGPFPSRUEUYLDV-IAGOWNOFSA-N 2 2 337.379 1.867 20 0 EDADLP O=C1C[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)N1c1ccccc1 ZINC000683921978 486869317 /nfs/dbraw/zinc/86/93/17/486869317.db2.gz GGPFPSRUEUYLDV-IAGOWNOFSA-N 2 2 337.379 1.867 20 0 EDADLP NC(=O)C[N@@H+]1CCc2ccc(NCc3c[nH+]c4ccccn34)cc2C1 ZINC000683932716 486870166 /nfs/dbraw/zinc/87/01/66/486870166.db2.gz OFMQWRAMACRDCF-UHFFFAOYSA-N 2 2 335.411 1.790 20 0 EDADLP NC(=O)C[N@H+]1CCc2ccc(NCc3c[nH+]c4ccccn34)cc2C1 ZINC000683932716 486870173 /nfs/dbraw/zinc/87/01/73/486870173.db2.gz OFMQWRAMACRDCF-UHFFFAOYSA-N 2 2 335.411 1.790 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC[NH+](CC(F)F)CC1 ZINC000673000526 486872104 /nfs/dbraw/zinc/87/21/04/486872104.db2.gz ZLSFNFMTBFGFGU-OAHLLOKOSA-N 2 2 345.434 1.333 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000676844937 486902108 /nfs/dbraw/zinc/90/21/08/486902108.db2.gz UOVPEOURMGCSKK-UAGQMJEPSA-N 2 2 332.448 1.205 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673284166 486972893 /nfs/dbraw/zinc/97/28/93/486972893.db2.gz KTMDBEAQAOMMDE-PBHICJAKSA-N 2 2 346.475 1.136 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673284166 486972895 /nfs/dbraw/zinc/97/28/95/486972895.db2.gz KTMDBEAQAOMMDE-PBHICJAKSA-N 2 2 346.475 1.136 20 0 EDADLP COC(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216881 486974691 /nfs/dbraw/zinc/97/46/91/486974691.db2.gz AJBBJIBTPOETGO-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP COC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216881 486974696 /nfs/dbraw/zinc/97/46/96/486974696.db2.gz AJBBJIBTPOETGO-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP C[N@H+](C[C@@H]1CNc2ccnn2C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000684199058 486982531 /nfs/dbraw/zinc/98/25/31/486982531.db2.gz NDAVPUAFVYLXMI-INIZCTEOSA-N 2 2 343.479 1.218 20 0 EDADLP C[N@@H+](C[C@@H]1CNc2ccnn2C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000684199058 486982541 /nfs/dbraw/zinc/98/25/41/486982541.db2.gz NDAVPUAFVYLXMI-INIZCTEOSA-N 2 2 343.479 1.218 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673337153 486982577 /nfs/dbraw/zinc/98/25/77/486982577.db2.gz JUIPZUJQBRHYSJ-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000673337153 486982580 /nfs/dbraw/zinc/98/25/80/486982580.db2.gz JUIPZUJQBRHYSJ-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP CCC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673337153 486982583 /nfs/dbraw/zinc/98/25/83/486982583.db2.gz JUIPZUJQBRHYSJ-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP CCC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673337153 486982589 /nfs/dbraw/zinc/98/25/89/486982589.db2.gz JUIPZUJQBRHYSJ-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](CO)CC3CCC3)C2)CC1 ZINC000684375365 487041594 /nfs/dbraw/zinc/04/15/94/487041594.db2.gz IURDEYAPDVCODB-HZPDHXFCSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CO)CC3CCC3)C2)CC1 ZINC000684375365 487041600 /nfs/dbraw/zinc/04/16/00/487041600.db2.gz IURDEYAPDVCODB-HZPDHXFCSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H](C)O1 ZINC000681551680 487083654 /nfs/dbraw/zinc/08/36/54/487083654.db2.gz VAGQJRDMYMCUJE-VQHPVUNQSA-N 2 2 346.475 1.546 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000681553160 487083737 /nfs/dbraw/zinc/08/37/37/487083737.db2.gz KIPZSVGSHRMKDB-CABCVRRESA-N 2 2 332.448 1.063 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684567307 487100374 /nfs/dbraw/zinc/10/03/74/487100374.db2.gz GWXNZCJLIWZOJK-ZDUSSCGKSA-N 2 2 340.427 1.730 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000673762988 487108242 /nfs/dbraw/zinc/10/82/42/487108242.db2.gz VRNGPIPRQXRRAU-UHFFFAOYSA-N 2 2 331.420 1.909 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681646921 487118916 /nfs/dbraw/zinc/11/89/16/487118916.db2.gz IDWPREUSFBGNSA-INIZCTEOSA-N 2 2 325.416 1.513 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)cc2[nH+]1 ZINC000668155554 487122630 /nfs/dbraw/zinc/12/26/30/487122630.db2.gz SFLCYHHMRFGNCM-CQSZACIVSA-N 2 2 344.463 1.648 20 0 EDADLP CCS(=O)(=O)NC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668158416 487123595 /nfs/dbraw/zinc/12/35/95/487123595.db2.gz RTMWAIKMUNHQEK-UHFFFAOYSA-N 2 2 349.460 1.171 20 0 EDADLP Cc1nc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cs1 ZINC000674032436 487188328 /nfs/dbraw/zinc/18/83/28/487188328.db2.gz LPGNEEDIAWYBKU-UHFFFAOYSA-N 2 2 325.482 1.277 20 0 EDADLP C[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677894079 487193866 /nfs/dbraw/zinc/19/38/66/487193866.db2.gz FOIHIGUTVZIWIB-JKSUJKDBSA-N 2 2 340.418 1.961 20 0 EDADLP C[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677894079 487193870 /nfs/dbraw/zinc/19/38/70/487193870.db2.gz FOIHIGUTVZIWIB-JKSUJKDBSA-N 2 2 340.418 1.961 20 0 EDADLP C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000674189618 487214141 /nfs/dbraw/zinc/21/41/41/487214141.db2.gz IRUKDYGMGGCTNF-INIZCTEOSA-N 2 2 347.507 1.853 20 0 EDADLP C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000674189618 487214144 /nfs/dbraw/zinc/21/41/44/487214144.db2.gz IRUKDYGMGGCTNF-INIZCTEOSA-N 2 2 347.507 1.853 20 0 EDADLP C[N@H+](CCn1ccccc1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000674252639 487223420 /nfs/dbraw/zinc/22/34/20/487223420.db2.gz ZZYZQRVRHMVVQU-UHFFFAOYSA-N 2 2 340.471 1.882 20 0 EDADLP C[N@@H+](CCn1ccccc1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000674252639 487223423 /nfs/dbraw/zinc/22/34/23/487223423.db2.gz ZZYZQRVRHMVVQU-UHFFFAOYSA-N 2 2 340.471 1.882 20 0 EDADLP COc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(OC)c1OCC(F)F ZINC000685420846 487271753 /nfs/dbraw/zinc/27/17/53/487271753.db2.gz RECYSTPPDKXHQX-STQMWFEESA-N 2 2 342.386 1.999 20 0 EDADLP C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000685652293 487309074 /nfs/dbraw/zinc/30/90/74/487309074.db2.gz MAESKYVAPQCBGZ-UHFFFAOYSA-N 2 2 330.436 1.482 20 0 EDADLP CCn1cnnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000678588117 487338679 /nfs/dbraw/zinc/33/86/79/487338679.db2.gz NBJCBODPYQWHAH-NVXWUHKLSA-N 2 2 328.464 1.736 20 0 EDADLP CCn1cnnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000678588117 487338683 /nfs/dbraw/zinc/33/86/83/487338683.db2.gz NBJCBODPYQWHAH-NVXWUHKLSA-N 2 2 328.464 1.736 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000675195225 487387749 /nfs/dbraw/zinc/38/77/49/487387749.db2.gz YXLHUXUJNRRGIJ-MRXNPFEDSA-N 2 2 334.464 1.981 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679222615 487403477 /nfs/dbraw/zinc/40/34/77/487403477.db2.gz JLYAUCLINRPRBY-OWCLPIDISA-N 2 2 334.439 1.799 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679222615 487403479 /nfs/dbraw/zinc/40/34/79/487403479.db2.gz JLYAUCLINRPRBY-OWCLPIDISA-N 2 2 334.439 1.799 20 0 EDADLP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000679334095 487415929 /nfs/dbraw/zinc/41/59/29/487415929.db2.gz GYKYZLCFXBZPET-CQSZACIVSA-N 2 2 341.459 1.957 20 0 EDADLP CSc1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000682900802 487427877 /nfs/dbraw/zinc/42/78/77/487427877.db2.gz YAESVEFJHDJABG-LBPRGKRZSA-N 2 2 337.493 1.040 20 0 EDADLP CSc1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000682900802 487427879 /nfs/dbraw/zinc/42/78/79/487427879.db2.gz YAESVEFJHDJABG-LBPRGKRZSA-N 2 2 337.493 1.040 20 0 EDADLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(-n2cnnn2)c1 ZINC000675927539 487459504 /nfs/dbraw/zinc/45/95/04/487459504.db2.gz JIUVGUPNSNSTRY-CJNGLKHVSA-N 2 2 332.477 1.750 20 0 EDADLP CO[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000668374449 485660036 /nfs/dbraw/zinc/66/00/36/485660036.db2.gz MAQXWDAZCYLBGQ-DOTOQJQBSA-N 2 2 340.512 1.515 20 0 EDADLP CO[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(C)C ZINC000668374449 485660044 /nfs/dbraw/zinc/66/00/44/485660044.db2.gz MAQXWDAZCYLBGQ-DOTOQJQBSA-N 2 2 340.512 1.515 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c[nH+]1 ZINC000669156621 485750795 /nfs/dbraw/zinc/75/07/95/485750795.db2.gz HZHQCJFARBSSAU-HZPDHXFCSA-N 2 2 331.464 1.821 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000669224383 485830278 /nfs/dbraw/zinc/83/02/78/485830278.db2.gz VLZDGFRPOOPFHB-GJZGRUSLSA-N 2 2 346.475 1.664 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000669224383 485830281 /nfs/dbraw/zinc/83/02/81/485830281.db2.gz VLZDGFRPOOPFHB-GJZGRUSLSA-N 2 2 346.475 1.664 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000668610937 485946224 /nfs/dbraw/zinc/94/62/24/485946224.db2.gz WZNYMNMBABHSAW-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000668610937 485946230 /nfs/dbraw/zinc/94/62/30/485946230.db2.gz WZNYMNMBABHSAW-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP CN(C(=O)c1ccc(CO)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616598 485954489 /nfs/dbraw/zinc/95/44/89/485954489.db2.gz FCRMUIYUJDGKCC-SFHVURJKSA-N 2 2 331.460 1.419 20 0 EDADLP CN(C(=O)c1ccc(CO)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616598 485954496 /nfs/dbraw/zinc/95/44/96/485954496.db2.gz FCRMUIYUJDGKCC-SFHVURJKSA-N 2 2 331.460 1.419 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ncoc3C(F)(F)F)C2)CC1 ZINC000668640088 485983838 /nfs/dbraw/zinc/98/38/38/485983838.db2.gz OZWXJVVQXFRHAE-SNVBAGLBSA-N 2 2 346.353 1.592 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ncoc3C(F)(F)F)C2)CC1 ZINC000668640088 485983844 /nfs/dbraw/zinc/98/38/44/485983844.db2.gz OZWXJVVQXFRHAE-SNVBAGLBSA-N 2 2 346.353 1.592 20 0 EDADLP Cc1ccn([C@@H](C)CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640868 485983998 /nfs/dbraw/zinc/98/39/98/485983998.db2.gz XXWCUZSEXWGIKV-HOTGVXAUSA-N 2 2 333.480 1.427 20 0 EDADLP Cc1ccn([C@@H](C)CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640868 485984006 /nfs/dbraw/zinc/98/40/06/485984006.db2.gz XXWCUZSEXWGIKV-HOTGVXAUSA-N 2 2 333.480 1.427 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000672098558 485994225 /nfs/dbraw/zinc/99/42/25/485994225.db2.gz JZTBGWUFPNJRPI-YOEHRIQHSA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000672098558 485994231 /nfs/dbraw/zinc/99/42/31/485994231.db2.gz JZTBGWUFPNJRPI-YOEHRIQHSA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000672098558 485994238 /nfs/dbraw/zinc/99/42/38/485994238.db2.gz JZTBGWUFPNJRPI-YOEHRIQHSA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672098558 485994242 /nfs/dbraw/zinc/99/42/42/485994242.db2.gz JZTBGWUFPNJRPI-YOEHRIQHSA-N 2 2 346.475 1.136 20 0 EDADLP [NH3+]Cc1ccc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)o1 ZINC000238064090 486026855 /nfs/dbraw/zinc/02/68/55/486026855.db2.gz LBSQATCXIHJQRD-UHFFFAOYSA-N 2 2 339.399 1.344 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000516174039 486062847 /nfs/dbraw/zinc/06/28/47/486062847.db2.gz CXWQHHITKRYRRX-IAGOWNOFSA-N 2 2 345.491 1.807 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000516174039 486062854 /nfs/dbraw/zinc/06/28/54/486062854.db2.gz CXWQHHITKRYRRX-IAGOWNOFSA-N 2 2 345.491 1.807 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669747213 486070587 /nfs/dbraw/zinc/07/05/87/486070587.db2.gz NMCFFXIPMRDOOK-HOTGVXAUSA-N 2 2 332.448 1.016 20 0 EDADLP COCCOc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740227 486111812 /nfs/dbraw/zinc/11/18/12/486111812.db2.gz GXDFSRHSDAJYPK-GOSISDBHSA-N 2 2 334.460 1.743 20 0 EDADLP COCCOc1ccccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740227 486111814 /nfs/dbraw/zinc/11/18/14/486111814.db2.gz GXDFSRHSDAJYPK-GOSISDBHSA-N 2 2 334.460 1.743 20 0 EDADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000629174237 486114982 /nfs/dbraw/zinc/11/49/82/486114982.db2.gz WZTYFNWQJXQDID-MSOLQXFVSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000629174237 486114985 /nfs/dbraw/zinc/11/49/85/486114985.db2.gz WZTYFNWQJXQDID-MSOLQXFVSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000629174237 486114992 /nfs/dbraw/zinc/11/49/92/486114992.db2.gz WZTYFNWQJXQDID-MSOLQXFVSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000629174237 486114996 /nfs/dbraw/zinc/11/49/96/486114996.db2.gz WZTYFNWQJXQDID-MSOLQXFVSA-N 2 2 349.450 1.363 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)[C@H](C[NH3+])C1 ZINC000669422605 486143114 /nfs/dbraw/zinc/14/31/14/486143114.db2.gz IVCSEURFAVOHTQ-CQSZACIVSA-N 2 2 349.866 1.648 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)[C@H](C[NH3+])C1 ZINC000669422605 486143121 /nfs/dbraw/zinc/14/31/21/486143121.db2.gz IVCSEURFAVOHTQ-CQSZACIVSA-N 2 2 349.866 1.648 20 0 EDADLP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670787176 486218299 /nfs/dbraw/zinc/21/82/99/486218299.db2.gz MLIDQMXGHVATSG-SFHVURJKSA-N 3 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670787176 486218304 /nfs/dbraw/zinc/21/83/04/486218304.db2.gz MLIDQMXGHVATSG-SFHVURJKSA-N 3 2 341.459 1.575 20 0 EDADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494906 486267512 /nfs/dbraw/zinc/26/75/12/486267512.db2.gz VARWMLZVPIOMGV-XYJFISCASA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494906 486267517 /nfs/dbraw/zinc/26/75/17/486267517.db2.gz VARWMLZVPIOMGV-XYJFISCASA-N 2 2 346.475 1.279 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000669511747 486294577 /nfs/dbraw/zinc/29/45/77/486294577.db2.gz DHMATBXBIQULAV-INIZCTEOSA-N 2 2 329.448 1.969 20 0 EDADLP CC1(C)C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000090169252 491199345 /nfs/dbraw/zinc/19/93/45/491199345.db2.gz DOEVNEXDIHVCOI-KRWDZBQOSA-N 2 2 345.487 1.911 20 0 EDADLP CC1(C)C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000090169252 491199349 /nfs/dbraw/zinc/19/93/49/491199349.db2.gz DOEVNEXDIHVCOI-KRWDZBQOSA-N 2 2 345.487 1.911 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C[N@@H+]1C1CC1 ZINC000123126633 491001896 /nfs/dbraw/zinc/00/18/96/491001896.db2.gz PVGUZNKYUPYPCC-IPYPFGDCSA-N 2 2 334.416 1.370 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C[N@H+]1C1CC1 ZINC000123126633 491001897 /nfs/dbraw/zinc/00/18/97/491001897.db2.gz PVGUZNKYUPYPCC-IPYPFGDCSA-N 2 2 334.416 1.370 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459507210 491014974 /nfs/dbraw/zinc/01/49/74/491014974.db2.gz JIBZBCIUFWHUJE-HOTGVXAUSA-N 2 2 344.438 1.790 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H](O)C1CC1 ZINC000079767583 491167828 /nfs/dbraw/zinc/16/78/28/491167828.db2.gz CNXIPJMDQOKIPX-INIZCTEOSA-N 2 2 337.489 1.095 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@H](O)C1CC1 ZINC000079767583 491167830 /nfs/dbraw/zinc/16/78/30/491167830.db2.gz CNXIPJMDQOKIPX-INIZCTEOSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CCO1 ZINC000523059153 491184079 /nfs/dbraw/zinc/18/40/79/491184079.db2.gz AQYQHUXILCDZQR-OAHLLOKOSA-N 2 2 335.448 1.078 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CCO1 ZINC000523059153 491184083 /nfs/dbraw/zinc/18/40/83/491184083.db2.gz AQYQHUXILCDZQR-OAHLLOKOSA-N 2 2 335.448 1.078 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658345092 500922171 /nfs/dbraw/zinc/92/21/71/500922171.db2.gz YRXSLRUDRPTRLG-YLJYHZDGSA-N 2 2 339.487 1.813 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658345092 500922174 /nfs/dbraw/zinc/92/21/74/500922174.db2.gz YRXSLRUDRPTRLG-YLJYHZDGSA-N 2 2 339.487 1.813 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236664770 535108600 /nfs/dbraw/zinc/10/86/00/535108600.db2.gz GIZVCZAWHNWEQI-MSOLQXFVSA-N 2 2 333.476 1.940 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC3(CC[NH2+]CC3)CC2)CCO1 ZINC000333741355 535354809 /nfs/dbraw/zinc/35/48/09/535354809.db2.gz IXCVOVYTRYFXID-UHFFFAOYSA-N 2 2 338.496 1.272 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC3(CC[NH2+]CC3)CC2)CCO1 ZINC000333741355 535354812 /nfs/dbraw/zinc/35/48/12/535354812.db2.gz IXCVOVYTRYFXID-UHFFFAOYSA-N 2 2 338.496 1.272 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000352998881 535638008 /nfs/dbraw/zinc/63/80/08/535638008.db2.gz SFSSNNUDIHFLHI-JYJNAYRXSA-N 2 2 325.497 1.268 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000352998881 535638012 /nfs/dbraw/zinc/63/80/12/535638012.db2.gz SFSSNNUDIHFLHI-JYJNAYRXSA-N 2 2 325.497 1.268 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000264229575 535864707 /nfs/dbraw/zinc/86/47/07/535864707.db2.gz VMNLRGHEGLBIML-UHFFFAOYSA-N 2 2 333.411 1.833 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)s1 ZINC000352772763 536057315 /nfs/dbraw/zinc/05/73/15/536057315.db2.gz RPJXTDNTYJPMBB-UHFFFAOYSA-N 2 2 339.486 1.898 20 0 EDADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000347868886 536782935 /nfs/dbraw/zinc/78/29/35/536782935.db2.gz PIHWACQFQWYEJD-JKSUJKDBSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000742195953 579439648 /nfs/dbraw/zinc/43/96/48/579439648.db2.gz JDHLECQVIRTYGR-FUHWJXTLSA-N 2 2 330.476 1.138 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000742195953 579439649 /nfs/dbraw/zinc/43/96/49/579439649.db2.gz JDHLECQVIRTYGR-FUHWJXTLSA-N 2 2 330.476 1.138 20 0 EDADLP CCc1nsc(N2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000743270645 579474748 /nfs/dbraw/zinc/47/47/48/579474748.db2.gz QOOGEQGPGMSGGB-AWEZNQCLSA-N 2 2 339.509 1.069 20 0 EDADLP CCc1nsc(N2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000743270645 579474749 /nfs/dbraw/zinc/47/47/49/579474749.db2.gz QOOGEQGPGMSGGB-AWEZNQCLSA-N 2 2 339.509 1.069 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000743813345 579491610 /nfs/dbraw/zinc/49/16/10/579491610.db2.gz OAULPCFPEPLQHI-OAHLLOKOSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000743813345 579491612 /nfs/dbraw/zinc/49/16/12/579491612.db2.gz OAULPCFPEPLQHI-OAHLLOKOSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000726256799 578339292 /nfs/dbraw/zinc/33/92/92/578339292.db2.gz PKAMHNXFRBESHR-ZACQAIPSSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000726256799 578339294 /nfs/dbraw/zinc/33/92/94/578339294.db2.gz PKAMHNXFRBESHR-ZACQAIPSSA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)NCc1cccnc1-n1cc[nH+]c1 ZINC000727075779 578515777 /nfs/dbraw/zinc/51/57/77/578515777.db2.gz UNKHXVAIPALJIR-UHFFFAOYSA-N 2 2 346.504 1.819 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccccn1 ZINC000727830611 578539273 /nfs/dbraw/zinc/53/92/73/578539273.db2.gz DHNYFIGCECFSRC-OAHLLOKOSA-N 2 2 325.416 1.527 20 0 EDADLP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1ccccn1 ZINC000727830611 578539274 /nfs/dbraw/zinc/53/92/74/578539274.db2.gz DHNYFIGCECFSRC-OAHLLOKOSA-N 2 2 325.416 1.527 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000728752183 578551644 /nfs/dbraw/zinc/55/16/44/578551644.db2.gz CTVPIIPQCNVZPB-UHFFFAOYSA-N 2 2 329.448 1.736 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000729607413 578584598 /nfs/dbraw/zinc/58/45/98/578584598.db2.gz YBFNWVAETUSDGO-MRXNPFEDSA-N 2 2 340.431 1.647 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000729607413 578584599 /nfs/dbraw/zinc/58/45/99/578584599.db2.gz YBFNWVAETUSDGO-MRXNPFEDSA-N 2 2 340.431 1.647 20 0 EDADLP Cc1ccc(N(C)C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)nn1 ZINC000729929450 578602428 /nfs/dbraw/zinc/60/24/28/578602428.db2.gz WIEIKPBTASFLNE-QGZVFWFLSA-N 2 2 333.480 1.142 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc[nH]1 ZINC000760311728 580027818 /nfs/dbraw/zinc/02/78/18/580027818.db2.gz SVPNTUNLEZUORX-CQSZACIVSA-N 2 2 333.480 1.934 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=S)NCC[NH+]1CCOCC1 ZINC000730731652 578656464 /nfs/dbraw/zinc/65/64/64/578656464.db2.gz IYYJSMOBSDVRTB-GASCZTMLSA-N 2 2 328.526 1.046 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=S)NCC[NH+]1CCOCC1 ZINC000730731652 578656466 /nfs/dbraw/zinc/65/64/66/578656466.db2.gz IYYJSMOBSDVRTB-GASCZTMLSA-N 2 2 328.526 1.046 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000732459249 578713623 /nfs/dbraw/zinc/71/36/23/578713623.db2.gz VBIWFMJELFQNSO-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000732459249 578713624 /nfs/dbraw/zinc/71/36/24/578713624.db2.gz VBIWFMJELFQNSO-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP CCOCCCNC(=S)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732720563 578725594 /nfs/dbraw/zinc/72/55/94/578725594.db2.gz KOZCHAINLVTFDP-CQSZACIVSA-N 2 2 328.526 1.046 20 0 EDADLP CCOCCCNC(=S)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732720563 578725595 /nfs/dbraw/zinc/72/55/95/578725595.db2.gz KOZCHAINLVTFDP-CQSZACIVSA-N 2 2 328.526 1.046 20 0 EDADLP O=C(c1ccc(O)cc1)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000747669463 579652997 /nfs/dbraw/zinc/65/29/97/579652997.db2.gz LTXYKQGPXAPAIE-GOSISDBHSA-N 2 2 332.444 1.744 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000747680849 579653701 /nfs/dbraw/zinc/65/37/01/579653701.db2.gz CBFBERYGLYHTOP-SFHVURJKSA-N 2 2 337.508 1.604 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000749324186 579721662 /nfs/dbraw/zinc/72/16/62/579721662.db2.gz JYUFIGPWPLLCOP-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000749324186 579721663 /nfs/dbraw/zinc/72/16/63/579721663.db2.gz JYUFIGPWPLLCOP-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000750851843 579783799 /nfs/dbraw/zinc/78/37/99/579783799.db2.gz ZBPCKSJXJPHTEF-UHFFFAOYSA-N 2 2 349.450 1.582 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000750851843 579783802 /nfs/dbraw/zinc/78/38/02/579783802.db2.gz ZBPCKSJXJPHTEF-UHFFFAOYSA-N 2 2 349.450 1.582 20 0 EDADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000752831356 579866641 /nfs/dbraw/zinc/86/66/41/579866641.db2.gz JTLREILKVBQFFZ-BFYDXBDKSA-N 2 2 345.491 1.221 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](CCO)c2cccs2)CC1 ZINC000754391044 579902641 /nfs/dbraw/zinc/90/26/41/579902641.db2.gz XHJGPJYKPCCGIC-ZIAGYGMSSA-N 2 2 325.478 1.314 20 0 EDADLP COC(=O)C[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000754541443 579906004 /nfs/dbraw/zinc/90/60/04/579906004.db2.gz RZYIPELTKFNCNT-CVEARBPZSA-N 2 2 345.443 1.945 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763040973 580090728 /nfs/dbraw/zinc/09/07/28/580090728.db2.gz CBFMLIGBHNPFAK-UHFFFAOYSA-N 2 2 333.480 1.422 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C[C@@H](c3cccnc3)CC2=O)C1 ZINC000765696754 580148988 /nfs/dbraw/zinc/14/89/88/580148988.db2.gz BXQBHNDVMWPRBT-CVEARBPZSA-N 2 2 325.416 1.578 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C[C@@H](c3cccnc3)CC2=O)C1 ZINC000765696754 580148989 /nfs/dbraw/zinc/14/89/89/580148989.db2.gz BXQBHNDVMWPRBT-CVEARBPZSA-N 2 2 325.416 1.578 20 0 EDADLP CC(C)([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)NCC1CCCCC1 ZINC000767670325 580196589 /nfs/dbraw/zinc/19/65/89/580196589.db2.gz IZNMYVCWVGQBPU-INIZCTEOSA-N 2 2 325.497 1.508 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000767777917 580199279 /nfs/dbraw/zinc/19/92/79/580199279.db2.gz FBJPMMXRNZJEHQ-HNNXBMFYSA-N 2 2 330.436 1.986 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000769531676 580239288 /nfs/dbraw/zinc/23/92/88/580239288.db2.gz HWJNMFROWSGXLA-GOSISDBHSA-N 2 2 329.444 1.455 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000769531676 580239289 /nfs/dbraw/zinc/23/92/89/580239289.db2.gz HWJNMFROWSGXLA-GOSISDBHSA-N 2 2 329.444 1.455 20 0 EDADLP CSCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771767198 580293207 /nfs/dbraw/zinc/29/32/07/580293207.db2.gz LAPOPXBPRCRNOW-GOEBONIOSA-N 2 2 342.553 1.938 20 0 EDADLP CSCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771767198 580293208 /nfs/dbraw/zinc/29/32/08/580293208.db2.gz LAPOPXBPRCRNOW-GOEBONIOSA-N 2 2 342.553 1.938 20 0 EDADLP Cc1cc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1C ZINC000779646811 580492499 /nfs/dbraw/zinc/49/24/99/580492499.db2.gz VVILAOVXKJZVBV-QGZVFWFLSA-N 2 2 343.431 1.628 20 0 EDADLP Cc1cc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1C ZINC000779646811 580492500 /nfs/dbraw/zinc/49/25/00/580492500.db2.gz VVILAOVXKJZVBV-QGZVFWFLSA-N 2 2 343.431 1.628 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(C)cc3)CC2)CC1 ZINC000784388000 580620095 /nfs/dbraw/zinc/62/00/95/580620095.db2.gz IOFBBGSEBLPMFT-UHFFFAOYSA-N 2 2 344.503 1.718 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000784813106 580629315 /nfs/dbraw/zinc/62/93/15/580629315.db2.gz IHBRECKBUWIJMV-AWEZNQCLSA-N 2 2 347.463 1.385 20 0 EDADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCCC1(O)CC1 ZINC000785516707 580646393 /nfs/dbraw/zinc/64/63/93/580646393.db2.gz DJYUKSLOUUIWLL-UHFFFAOYSA-N 2 2 346.475 1.608 20 0 EDADLP NC(CC[NH+]1CCN(Cc2ccccc2)CC1)=[NH+]OCCC1(O)CC1 ZINC000785516707 580646394 /nfs/dbraw/zinc/64/63/94/580646394.db2.gz DJYUKSLOUUIWLL-UHFFFAOYSA-N 2 2 346.475 1.608 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC12CCOCC2 ZINC000788380068 580719819 /nfs/dbraw/zinc/71/98/19/580719819.db2.gz UBGVLZSWYDFYDE-MRXNPFEDSA-N 2 2 331.416 1.521 20 0 EDADLP O=C1N(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC12CCOCC2 ZINC000788380068 580719820 /nfs/dbraw/zinc/71/98/20/580719820.db2.gz UBGVLZSWYDFYDE-MRXNPFEDSA-N 2 2 331.416 1.521 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000794399370 580890570 /nfs/dbraw/zinc/89/05/70/580890570.db2.gz QMTZBIZYYTWCAN-OWCLPIDISA-N 2 2 341.496 1.821 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000794399370 580890571 /nfs/dbraw/zinc/89/05/71/580890571.db2.gz QMTZBIZYYTWCAN-OWCLPIDISA-N 2 2 341.496 1.821 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000794399370 580890572 /nfs/dbraw/zinc/89/05/72/580890572.db2.gz QMTZBIZYYTWCAN-OWCLPIDISA-N 2 2 341.496 1.821 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000794399370 580890573 /nfs/dbraw/zinc/89/05/73/580890573.db2.gz QMTZBIZYYTWCAN-OWCLPIDISA-N 2 2 341.496 1.821 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795131810 580914058 /nfs/dbraw/zinc/91/40/58/580914058.db2.gz PJIOIGBVBSQNGI-ARFHVFGLSA-N 2 2 340.537 1.140 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795131810 580914059 /nfs/dbraw/zinc/91/40/59/580914059.db2.gz PJIOIGBVBSQNGI-ARFHVFGLSA-N 2 2 340.537 1.140 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000795892476 580940487 /nfs/dbraw/zinc/94/04/87/580940487.db2.gz HBGZDHMHTIFQQN-GOSISDBHSA-N 2 2 331.460 1.350 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000796717680 580960508 /nfs/dbraw/zinc/96/05/08/580960508.db2.gz RCFLSZDECGITFO-MRXNPFEDSA-N 2 2 326.448 1.724 20 0 EDADLP CCOC(=O)C[NH+]1CCC(COC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000798825962 581009840 /nfs/dbraw/zinc/00/98/40/581009840.db2.gz FNFFWAADXKUBJB-INIZCTEOSA-N 2 2 328.453 1.391 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c12 ZINC000893047310 590634691 /nfs/dbraw/zinc/63/46/91/590634691.db2.gz LKHPDAOYACHLMW-HOCLYGCPSA-N 2 2 342.491 1.983 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892001630 590737759 /nfs/dbraw/zinc/73/77/59/590737759.db2.gz WMIRMOLDIHOSBM-WBVHZDCISA-N 2 2 327.432 1.923 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[NH2+]1 ZINC000892095968 590795906 /nfs/dbraw/zinc/79/59/06/590795906.db2.gz HDTCIDHSTUNXDW-DZGCQCFKSA-N 2 2 349.504 1.575 20 0 EDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892168280 590839101 /nfs/dbraw/zinc/83/91/01/590839101.db2.gz CRJSLXFXLXOUDN-UKRRQHHQSA-N 2 2 349.504 1.561 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)cn21 ZINC000892213837 590867424 /nfs/dbraw/zinc/86/74/24/590867424.db2.gz KWEFUYGYLLFWPL-YJBOKZPZSA-N 2 2 327.432 1.769 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]31)COCC2 ZINC000892235599 590878147 /nfs/dbraw/zinc/87/81/47/590878147.db2.gz XEGLXGLVRCAODO-SKDZVZGDSA-N 2 2 334.464 1.176 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]31)COCC2 ZINC000892235599 590878152 /nfs/dbraw/zinc/87/81/52/590878152.db2.gz XEGLXGLVRCAODO-SKDZVZGDSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC[C@@H]3CCC(C)(C)C[NH2+]3)CC2)cc[nH+]1 ZINC000892385041 591004173 /nfs/dbraw/zinc/00/41/73/591004173.db2.gz FRCIWDCGTSMAPS-HNNXBMFYSA-N 2 2 346.479 1.395 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892384130 591004304 /nfs/dbraw/zinc/00/43/04/591004304.db2.gz OZKKYISETVZWLJ-OAGGEKHMSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000891330900 591047849 /nfs/dbraw/zinc/04/78/49/591047849.db2.gz NYDWSOIDSHXZNK-UGFHNGPFSA-N 2 2 331.395 1.780 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891349082 591054468 /nfs/dbraw/zinc/05/44/68/591054468.db2.gz UXDYUWNUJSHHCC-QGZVFWFLSA-N 2 2 341.459 1.907 20 0 EDADLP CC(=O)OC[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000892583394 591081085 /nfs/dbraw/zinc/08/10/85/591081085.db2.gz WUJJUWWPVBAQNP-CQSZACIVSA-N 2 2 333.432 1.115 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC([NH2+]C3CCC3)CC2)CCO1 ZINC000892605397 591091592 /nfs/dbraw/zinc/09/15/92/591091592.db2.gz RJEYXKCUVIKYJF-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC([NH2+]C3CCC3)CC2)CCO1 ZINC000892605397 591091596 /nfs/dbraw/zinc/09/15/96/591091596.db2.gz RJEYXKCUVIKYJF-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC(C)(C)CC[NH3+])C2)cc1 ZINC000892611115 591095250 /nfs/dbraw/zinc/09/52/50/591095250.db2.gz KJBTTXOGQSBUPH-KRWDZBQOSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC(C)(C)CC[NH3+])C2)cc1 ZINC000892611115 591095254 /nfs/dbraw/zinc/09/52/54/591095254.db2.gz KJBTTXOGQSBUPH-KRWDZBQOSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000892612214 591096428 /nfs/dbraw/zinc/09/64/28/591096428.db2.gz TWUNHVXSPIFCCE-FUHWJXTLSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000892612214 591096434 /nfs/dbraw/zinc/09/64/34/591096434.db2.gz TWUNHVXSPIFCCE-FUHWJXTLSA-N 2 2 346.475 1.199 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCN(c3cc[nH+]cc3)CC2)nc[nH+]1 ZINC000891594638 591140512 /nfs/dbraw/zinc/14/05/12/591140512.db2.gz ZUBMMGAHGPELGI-AWEZNQCLSA-N 2 2 328.420 1.381 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]cn1 ZINC000891594638 591140514 /nfs/dbraw/zinc/14/05/14/591140514.db2.gz ZUBMMGAHGPELGI-AWEZNQCLSA-N 2 2 328.420 1.381 20 0 EDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000891709077 591194282 /nfs/dbraw/zinc/19/42/82/591194282.db2.gz NGDHUWLIWPECLO-UHFFFAOYSA-N 2 2 330.436 1.110 20 0 EDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000891709077 591194283 /nfs/dbraw/zinc/19/42/83/591194283.db2.gz NGDHUWLIWPECLO-UHFFFAOYSA-N 2 2 330.436 1.110 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000891709350 591195527 /nfs/dbraw/zinc/19/55/27/591195527.db2.gz QCVIWPUOPCOQAT-LSDHHAIUSA-N 2 2 331.464 1.738 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000891731042 591201919 /nfs/dbraw/zinc/20/19/19/591201919.db2.gz MZBMHFQXXFNQAJ-DUUOMRMWSA-N 2 2 338.402 1.841 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000891731042 591201922 /nfs/dbraw/zinc/20/19/22/591201922.db2.gz MZBMHFQXXFNQAJ-DUUOMRMWSA-N 2 2 338.402 1.841 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3cccc(F)c3C(N)=O)CC2)CC1 ZINC000892949125 591236104 /nfs/dbraw/zinc/23/61/04/591236104.db2.gz LEBLJYJCPMIYIN-UHFFFAOYSA-N 2 2 348.466 1.919 20 0 EDADLP C[NH+](C)C[C@@H]1C[NH+](C[C@H]2C[C@@]2(C)Br)C[C@H]1C[NH+](C)C ZINC000895700688 591252902 /nfs/dbraw/zinc/25/29/02/591252902.db2.gz ZMSITLCSBULIOR-KBUPBQIOSA-N 3 2 332.330 1.831 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[NH+](C(C)(C)COC)CC2)nc[nH+]1 ZINC000894272678 591260297 /nfs/dbraw/zinc/26/02/97/591260297.db2.gz JQDFQTVXFDRNPN-AWEZNQCLSA-N 2 2 337.468 1.206 20 0 EDADLP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)[nH+]c2cnccc12 ZINC000895768497 591268740 /nfs/dbraw/zinc/26/87/40/591268740.db2.gz CZKZNVDSHBZORG-UONOGXRCSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)[nH+]c2cnccc12 ZINC000895768497 591268741 /nfs/dbraw/zinc/26/87/41/591268741.db2.gz CZKZNVDSHBZORG-UONOGXRCSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)c2ccncc2[nH+]1 ZINC000895768497 591268742 /nfs/dbraw/zinc/26/87/42/591268742.db2.gz CZKZNVDSHBZORG-UONOGXRCSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)c2ccncc2[nH+]1 ZINC000895768497 591268744 /nfs/dbraw/zinc/26/87/44/591268744.db2.gz CZKZNVDSHBZORG-UONOGXRCSA-N 3 2 326.448 1.862 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000894517714 591331301 /nfs/dbraw/zinc/33/13/01/591331301.db2.gz PABHOVUOILXSJC-INIZCTEOSA-N 2 2 327.432 1.741 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000894517714 591331305 /nfs/dbraw/zinc/33/13/05/591331305.db2.gz PABHOVUOILXSJC-INIZCTEOSA-N 2 2 327.432 1.741 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)n[nH]1 ZINC000896132121 591354632 /nfs/dbraw/zinc/35/46/32/591354632.db2.gz KXYAZZVNYSRVMV-INIZCTEOSA-N 2 2 327.388 1.475 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)n[nH]1 ZINC000896132121 591354635 /nfs/dbraw/zinc/35/46/35/591354635.db2.gz KXYAZZVNYSRVMV-INIZCTEOSA-N 2 2 327.388 1.475 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[NH+](CCF)C1)[N@@H+]1CCc2ccccc2C1 ZINC000898491768 591377518 /nfs/dbraw/zinc/37/75/18/591377518.db2.gz OCFUHFCOVOYSDF-YJBOKZPZSA-N 2 2 333.451 1.983 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[NH+](CCF)C1)[N@H+]1CCc2ccccc2C1 ZINC000898491768 591377523 /nfs/dbraw/zinc/37/75/23/591377523.db2.gz OCFUHFCOVOYSDF-YJBOKZPZSA-N 2 2 333.451 1.983 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)[NH+]1CCc2ccccc2C1 ZINC000898491768 591377528 /nfs/dbraw/zinc/37/75/28/591377528.db2.gz OCFUHFCOVOYSDF-YJBOKZPZSA-N 2 2 333.451 1.983 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)[NH+]1CCc2ccccc2C1 ZINC000898491768 591377533 /nfs/dbraw/zinc/37/75/33/591377533.db2.gz OCFUHFCOVOYSDF-YJBOKZPZSA-N 2 2 333.451 1.983 20 0 EDADLP O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000898549051 591406472 /nfs/dbraw/zinc/40/64/72/591406472.db2.gz DFQPASJOSRUXDU-QYZOEREBSA-N 2 2 346.471 1.743 20 0 EDADLP O[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000898549051 591406474 /nfs/dbraw/zinc/40/64/74/591406474.db2.gz DFQPASJOSRUXDU-QYZOEREBSA-N 2 2 346.471 1.743 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCCC(C)(C)O1 ZINC000898636244 591450941 /nfs/dbraw/zinc/45/09/41/591450941.db2.gz CAWXIEXPZUVOKM-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCC(C)(C)O1 ZINC000898636244 591450944 /nfs/dbraw/zinc/45/09/44/591450944.db2.gz CAWXIEXPZUVOKM-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCc2cn(C)c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000894885496 591456582 /nfs/dbraw/zinc/45/65/82/591456582.db2.gz PZTZLXQCIIMJTL-RHSMWYFYSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCc2cn(C)c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000894885496 591456583 /nfs/dbraw/zinc/45/65/83/591456583.db2.gz PZTZLXQCIIMJTL-RHSMWYFYSA-N 2 2 327.432 1.882 20 0 EDADLP Cc1nc2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc2c(=O)[nH]1 ZINC000898668723 591467238 /nfs/dbraw/zinc/46/72/38/591467238.db2.gz JYRUTWWCFZFEJQ-UHFFFAOYSA-N 2 2 345.447 1.257 20 0 EDADLP Cc1nc2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc2c(=O)[nH]1 ZINC000898668723 591467240 /nfs/dbraw/zinc/46/72/40/591467240.db2.gz JYRUTWWCFZFEJQ-UHFFFAOYSA-N 2 2 345.447 1.257 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCOC12CCCC2 ZINC000898754523 591512758 /nfs/dbraw/zinc/51/27/58/591512758.db2.gz UVRKOTFVMBBUIO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCOC12CCCC2 ZINC000898754523 591512762 /nfs/dbraw/zinc/51/27/62/591512762.db2.gz UVRKOTFVMBBUIO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3nc(N)cc(C)[nH+]3)C2)c1 ZINC000895018730 591528858 /nfs/dbraw/zinc/52/88/58/591528858.db2.gz QYXYNBHTCRIWIW-INIZCTEOSA-N 2 2 327.432 1.989 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNc3nc(N)cc(C)[nH+]3)C2)c1 ZINC000895018730 591528859 /nfs/dbraw/zinc/52/88/59/591528859.db2.gz QYXYNBHTCRIWIW-INIZCTEOSA-N 2 2 327.432 1.989 20 0 EDADLP CC[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000896622935 591555999 /nfs/dbraw/zinc/55/59/99/591555999.db2.gz WTXDGKVGGMWDHD-INIZCTEOSA-N 2 2 341.496 1.104 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cnc(Cl)s3)cn2)CC1 ZINC000895156165 591623499 /nfs/dbraw/zinc/62/34/99/591623499.db2.gz WHRJCBCLUIAQGC-UHFFFAOYSA-N 2 2 338.868 1.628 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000897748769 591642034 /nfs/dbraw/zinc/64/20/34/591642034.db2.gz DJENNXSLQZPRTG-AYHJJNSGSA-N 2 2 339.549 1.799 20 0 EDADLP C(C[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1)N1CCOCC1 ZINC000897748769 591642038 /nfs/dbraw/zinc/64/20/38/591642038.db2.gz DJENNXSLQZPRTG-AYHJJNSGSA-N 2 2 339.549 1.799 20 0 EDADLP CCO[C@H](C[NH2+]C1CN(C(=O)OCc2ccccc2)C1)C[NH+](C)C ZINC000896880152 591644817 /nfs/dbraw/zinc/64/48/17/591644817.db2.gz OWKYZDMESKYSLL-QGZVFWFLSA-N 2 2 335.448 1.564 20 0 EDADLP COC(=O)[C@@H]1[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1(F)F ZINC000895193382 591651627 /nfs/dbraw/zinc/65/16/27/591651627.db2.gz XFPLUDNNDIFGKU-IHRRRGAJSA-N 2 2 332.391 1.227 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)nc[nH+]1 ZINC000895243702 591676472 /nfs/dbraw/zinc/67/64/72/591676472.db2.gz JJDKQDYXFMCMJV-GJZGRUSLSA-N 2 2 342.447 1.770 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)[nH+]cn1 ZINC000895243702 591676473 /nfs/dbraw/zinc/67/64/73/591676473.db2.gz JJDKQDYXFMCMJV-GJZGRUSLSA-N 2 2 342.447 1.770 20 0 EDADLP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000897228302 591778597 /nfs/dbraw/zinc/77/85/97/591778597.db2.gz LCTGOYWCYBVUFR-HNNXBMFYSA-N 2 2 327.469 1.744 20 0 EDADLP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000897228302 591778599 /nfs/dbraw/zinc/77/85/99/591778599.db2.gz LCTGOYWCYBVUFR-HNNXBMFYSA-N 2 2 327.469 1.744 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000899972888 591845827 /nfs/dbraw/zinc/84/58/27/591845827.db2.gz SHAHNNSHOIFJNN-UHFFFAOYSA-N 2 2 348.834 1.829 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284800 591853025 /nfs/dbraw/zinc/85/30/25/591853025.db2.gz PGFQCPFZGHONCA-DYVFJYSZSA-N 2 2 337.489 1.655 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898284800 591853028 /nfs/dbraw/zinc/85/30/28/591853028.db2.gz PGFQCPFZGHONCA-DYVFJYSZSA-N 2 2 337.489 1.655 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cc1F ZINC000899976997 591853621 /nfs/dbraw/zinc/85/36/21/591853621.db2.gz JCBDYCGLULARII-UHFFFAOYSA-N 2 2 347.434 1.574 20 0 EDADLP C/C(=C\C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C[NH+]1CCOCC1 ZINC000900018380 591869297 /nfs/dbraw/zinc/86/92/97/591869297.db2.gz FYXFOJTZGGUMJK-QCUIPMNBSA-N 2 2 331.460 1.684 20 0 EDADLP CC1(O)CCN(c2cc(N[C@H]3CC[NH2+]C4(CCC4)C3)[nH+]cn2)CC1 ZINC000900021990 591871304 /nfs/dbraw/zinc/87/13/04/591871304.db2.gz OTFPPUGDKFJJLE-AWEZNQCLSA-N 2 2 331.464 1.914 20 0 EDADLP CC1(O)CCN(c2cc(N[C@H]3CC[NH2+]C4(CCC4)C3)nc[nH+]2)CC1 ZINC000900021990 591871306 /nfs/dbraw/zinc/87/13/06/591871306.db2.gz OTFPPUGDKFJJLE-AWEZNQCLSA-N 2 2 331.464 1.914 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000900110549 591911449 /nfs/dbraw/zinc/91/14/49/591911449.db2.gz ZAENWJXROIQBQL-UHFFFAOYSA-N 2 2 342.447 1.622 20 0 EDADLP COc1cccc(CN2CCN(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)C2=O)c1 ZINC000902145576 591928031 /nfs/dbraw/zinc/92/80/31/591928031.db2.gz FSPGJQYDUFWWCW-QGZVFWFLSA-N 2 2 346.475 1.774 20 0 EDADLP COc1cccc(CN2CCN(C[N@H+]3CC[C@H](C[NH+](C)C)C3)C2=O)c1 ZINC000902145576 591928035 /nfs/dbraw/zinc/92/80/35/591928035.db2.gz FSPGJQYDUFWWCW-QGZVFWFLSA-N 2 2 346.475 1.774 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000900223140 591954241 /nfs/dbraw/zinc/95/42/41/591954241.db2.gz PMOYJSDKUSQJSY-LJQANCHMSA-N 2 2 346.475 1.535 20 0 EDADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H](O)C1(O)CCC1)c1cccc(OC)c1 ZINC000899863807 591967831 /nfs/dbraw/zinc/96/78/31/591967831.db2.gz ABBKMXVXBHEZGW-QZTJIDSGSA-N 2 2 336.476 1.944 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902319960 591968672 /nfs/dbraw/zinc/96/86/72/591968672.db2.gz NHYJHVPKOOPMME-QGZVFWFLSA-N 3 2 331.508 1.701 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1CC[C@@H](CCOC)C1=O ZINC000902333804 591980756 /nfs/dbraw/zinc/98/07/56/591980756.db2.gz OFGXVQXBKXMRIQ-JKSUJKDBSA-N 2 2 334.464 1.752 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1CC[C@@H](CCOC)C1=O ZINC000902333804 591980758 /nfs/dbraw/zinc/98/07/58/591980758.db2.gz OFGXVQXBKXMRIQ-JKSUJKDBSA-N 2 2 334.464 1.752 20 0 EDADLP COCC[C@@H]1CCN(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000902372557 591981811 /nfs/dbraw/zinc/98/18/11/591981811.db2.gz RYZCUQMWTANVLY-HOTGVXAUSA-N 2 2 332.448 1.435 20 0 EDADLP COCC[C@@H]1CCN(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000902372557 591981813 /nfs/dbraw/zinc/98/18/13/591981813.db2.gz RYZCUQMWTANVLY-HOTGVXAUSA-N 2 2 332.448 1.435 20 0 EDADLP C/C(=C/C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900352216 591992763 /nfs/dbraw/zinc/99/27/63/591992763.db2.gz CXICDNRBQZBZJU-OZQLPCOISA-N 2 2 337.508 1.748 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902414451 591997168 /nfs/dbraw/zinc/99/71/68/591997168.db2.gz ATYDJWFCNSFMJE-CYBMUJFWSA-N 2 2 325.478 1.859 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000902473997 591997571 /nfs/dbraw/zinc/99/75/71/591997571.db2.gz BKNDVJGMQPWLTC-JSQNDZKTSA-N 2 2 335.473 1.770 20 0 EDADLP C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)C1([NH3+])CC1 ZINC000902459162 591999879 /nfs/dbraw/zinc/99/98/79/591999879.db2.gz XWCOCOXCGYKKRV-XVKPBYJWSA-N 2 2 325.210 1.177 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)c1 ZINC000902484369 592005537 /nfs/dbraw/zinc/00/55/37/592005537.db2.gz VXSQMXHMNMCOQF-HIFRSBDPSA-N 2 2 325.478 1.778 20 0 EDADLP CCn1c[nH+]c2c1CCN(CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)C2 ZINC000902550710 592015176 /nfs/dbraw/zinc/01/51/76/592015176.db2.gz HSJQCCIIRGOIIX-SFHVURJKSA-N 2 2 345.447 1.135 20 0 EDADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)Cc3c[nH+]c[nH]3)cc21 ZINC000900433111 592016968 /nfs/dbraw/zinc/01/69/68/592016968.db2.gz VZPLSBWRJVCIRH-UHFFFAOYSA-N 2 2 329.360 1.060 20 0 EDADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)Cc3c[nH]c[nH+]3)cc21 ZINC000900433111 592016970 /nfs/dbraw/zinc/01/69/70/592016970.db2.gz VZPLSBWRJVCIRH-UHFFFAOYSA-N 2 2 329.360 1.060 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000900515139 592042440 /nfs/dbraw/zinc/04/24/40/592042440.db2.gz COOCOEQGSRIRAV-CQSZACIVSA-N 2 2 348.447 1.111 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000900515139 592042441 /nfs/dbraw/zinc/04/24/41/592042441.db2.gz COOCOEQGSRIRAV-CQSZACIVSA-N 2 2 348.447 1.111 20 0 EDADLP COC(=O)c1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000902775750 592060854 /nfs/dbraw/zinc/06/08/54/592060854.db2.gz ASLVCYCLUFZSHI-AWEZNQCLSA-N 2 2 333.432 1.206 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000900694744 592087840 /nfs/dbraw/zinc/08/78/40/592087840.db2.gz JRXHSTOQFWXDCJ-HNNXBMFYSA-N 2 2 336.436 1.055 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000900694744 592087843 /nfs/dbraw/zinc/08/78/43/592087843.db2.gz JRXHSTOQFWXDCJ-HNNXBMFYSA-N 2 2 336.436 1.055 20 0 EDADLP C([NH2+][C@H]1CCO[C@]12CCOC2)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000903109711 592121511 /nfs/dbraw/zinc/12/15/11/592121511.db2.gz IOWDBJMLPGPFLQ-HKUYNNGSSA-N 2 2 338.492 1.807 20 0 EDADLP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000903185022 592132566 /nfs/dbraw/zinc/13/25/66/592132566.db2.gz BWSFUAWTNDTLLA-GARXJVFOSA-N 2 2 332.448 1.772 20 0 EDADLP CCC/C=C/[C@@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000900858251 592149250 /nfs/dbraw/zinc/14/92/50/592149250.db2.gz PACCLWWZGNXAKI-RCMYXZNBSA-N 2 2 337.508 1.770 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000903459276 592171781 /nfs/dbraw/zinc/17/17/81/592171781.db2.gz SLPSYQYWMUEZFF-ZETOZRRWSA-N 2 2 329.366 1.851 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@H]3CCC[NH2+]3)CC2)cc(OC)c1OC ZINC000903444567 592173034 /nfs/dbraw/zinc/17/30/34/592173034.db2.gz CLDQGTHZMXACOH-MRXNPFEDSA-N 2 2 349.475 1.582 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)nc1 ZINC000903454654 592173975 /nfs/dbraw/zinc/17/39/75/592173975.db2.gz HLNKTJMFGKAPOA-ZBFHGGJFSA-N 2 2 332.448 1.236 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470946 592175414 /nfs/dbraw/zinc/17/54/14/592175414.db2.gz FFVCVBYDIRIWAH-INIZCTEOSA-N 2 2 343.427 1.173 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470319 592175489 /nfs/dbraw/zinc/17/54/89/592175489.db2.gz KVVREGDAUZUTGN-KRWDZBQOSA-N 2 2 349.450 1.927 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903485228 592178074 /nfs/dbraw/zinc/17/80/74/592178074.db2.gz KTHCCWIMRDPDIX-KRWDZBQOSA-N 2 2 331.460 1.918 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)NCCOc1ccc(F)cc1 ZINC000903485745 592178172 /nfs/dbraw/zinc/17/81/72/592178172.db2.gz PSABGFYHFBUWML-INIZCTEOSA-N 2 2 335.423 1.585 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900984537 592190026 /nfs/dbraw/zinc/19/00/26/592190026.db2.gz MUHQKMIPGLOGQP-MSOLQXFVSA-N 2 2 336.524 1.488 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900984537 592190027 /nfs/dbraw/zinc/19/00/27/592190027.db2.gz MUHQKMIPGLOGQP-MSOLQXFVSA-N 2 2 336.524 1.488 20 0 EDADLP CC[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000901062932 592221018 /nfs/dbraw/zinc/22/10/18/592221018.db2.gz BMOWSXAXQBBRJG-MSOLQXFVSA-N 2 2 342.443 1.748 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901089044 592228886 /nfs/dbraw/zinc/22/88/86/592228886.db2.gz NOBXBZUYWCAJJL-MHORFTMASA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000901089044 592228888 /nfs/dbraw/zinc/22/88/88/592228888.db2.gz NOBXBZUYWCAJJL-MHORFTMASA-N 2 2 335.492 1.763 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2ccc(N)nn2)CCC[NH+]1C ZINC000904367837 592239040 /nfs/dbraw/zinc/23/90/40/592239040.db2.gz DMZAQCAAMJWYTJ-SUMWQHHRSA-N 2 2 329.452 1.307 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(N)nn2)CCC[NH+]1C ZINC000904367837 592239045 /nfs/dbraw/zinc/23/90/45/592239045.db2.gz DMZAQCAAMJWYTJ-SUMWQHHRSA-N 2 2 329.452 1.307 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2ccc(N)nn2)CCC[N@@H+]1C ZINC000904367837 592239049 /nfs/dbraw/zinc/23/90/49/592239049.db2.gz DMZAQCAAMJWYTJ-SUMWQHHRSA-N 2 2 329.452 1.307 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2ccc(N)nn2)CCC[N@H+]1C ZINC000904367837 592239053 /nfs/dbraw/zinc/23/90/53/592239053.db2.gz DMZAQCAAMJWYTJ-SUMWQHHRSA-N 2 2 329.452 1.307 20 0 EDADLP CC1(C)COc2cc(NC3CC[NH+](CC[NH3+])CC3)ccc2NC1=O ZINC000904385531 592248641 /nfs/dbraw/zinc/24/86/41/592248641.db2.gz ZZGHXLZUDZKPOG-UHFFFAOYSA-N 2 2 332.448 1.879 20 0 EDADLP CN(c1ccccc1C[N@@H+]1CCC[C@]([NH3+])(CO)C1)C1CC[NH+](C)CC1 ZINC000904407441 592250686 /nfs/dbraw/zinc/25/06/86/592250686.db2.gz WFGPHSYKFYTJML-HXUWFJFHSA-N 3 2 346.519 1.503 20 0 EDADLP CN(c1ccccc1C[N@H+]1CCC[C@]([NH3+])(CO)C1)C1CC[NH+](C)CC1 ZINC000904407441 592250690 /nfs/dbraw/zinc/25/06/90/592250690.db2.gz WFGPHSYKFYTJML-HXUWFJFHSA-N 3 2 346.519 1.503 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C[C@H]2[NH3+])c1 ZINC000904484350 592270484 /nfs/dbraw/zinc/27/04/84/592270484.db2.gz GGZAONXMELMMPN-TVFCKZIOSA-N 3 2 325.460 1.640 20 0 EDADLP COc1ccc2nc(CN3C[C@@H](c4cn(C)c[nH+]4)[C@H]([NH3+])C3)sc2c1 ZINC000904490580 592271953 /nfs/dbraw/zinc/27/19/53/592271953.db2.gz GNYUNMMJQPBJIN-CHWSQXEVSA-N 2 2 343.456 1.965 20 0 EDADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000908035468 592283144 /nfs/dbraw/zinc/28/31/44/592283144.db2.gz JZFUMTLSWMIYBM-RHSMWYFYSA-N 2 2 349.862 1.534 20 0 EDADLP CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752233 592295792 /nfs/dbraw/zinc/29/57/92/592295792.db2.gz LOHZZNHXXWNLGK-CMKODMSKSA-N 2 2 346.471 1.861 20 0 EDADLP CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752233 592295794 /nfs/dbraw/zinc/29/57/94/592295794.db2.gz LOHZZNHXXWNLGK-CMKODMSKSA-N 2 2 346.471 1.861 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)ccc2n1C ZINC000906734069 592300338 /nfs/dbraw/zinc/30/03/38/592300338.db2.gz CQQAPOOISBZARD-CQSZACIVSA-N 2 2 343.431 1.469 20 0 EDADLP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816207 592324557 /nfs/dbraw/zinc/32/45/57/592324557.db2.gz VGFAKZUIVLAIJF-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816207 592324561 /nfs/dbraw/zinc/32/45/61/592324561.db2.gz VGFAKZUIVLAIJF-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000908115688 592327847 /nfs/dbraw/zinc/32/78/47/592327847.db2.gz PQOKPZZKWRCQTK-GJZGRUSLSA-N 2 2 332.448 1.757 20 0 EDADLP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000908135562 592346139 /nfs/dbraw/zinc/34/61/39/592346139.db2.gz QFIAPUFZMXSYKV-UHFFFAOYSA-N 2 2 341.459 1.228 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CCN2CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000903856435 592347698 /nfs/dbraw/zinc/34/76/98/592347698.db2.gz QXITVMOJBGAZGP-SJLPKXTDSA-N 2 2 348.516 1.206 20 0 EDADLP CON1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000905004147 592363970 /nfs/dbraw/zinc/36/39/70/592363970.db2.gz CIBXBZPTSLXFHJ-DLBZAZTESA-N 2 2 328.416 1.993 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)[C@H](CC)CN1C(C)=O ZINC000903897737 592367779 /nfs/dbraw/zinc/36/77/79/592367779.db2.gz JIFMAOWEVGYAIE-BRWVUGGUSA-N 2 2 348.495 1.424 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)[C@H](CC)CN1C(C)=O ZINC000903897737 592367784 /nfs/dbraw/zinc/36/77/84/592367784.db2.gz JIFMAOWEVGYAIE-BRWVUGGUSA-N 2 2 348.495 1.424 20 0 EDADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000906824367 592374358 /nfs/dbraw/zinc/37/43/58/592374358.db2.gz TYYQQLWIDDCIOD-SJORKVTESA-N 2 2 337.508 1.868 20 0 EDADLP [NH3+][C@@H](C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)CC(F)F ZINC000903924686 592378965 /nfs/dbraw/zinc/37/89/65/592378965.db2.gz HAWXISUZBRSDTK-CYBMUJFWSA-N 2 2 340.418 1.662 20 0 EDADLP [NH3+][C@@H](CNC1CC[NH+](CC(=O)Nc2ccccc2)CC1)CC(F)F ZINC000903924686 592378968 /nfs/dbraw/zinc/37/89/68/592378968.db2.gz HAWXISUZBRSDTK-CYBMUJFWSA-N 2 2 340.418 1.662 20 0 EDADLP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)CC1(O)CCCC1 ZINC000905052694 592381560 /nfs/dbraw/zinc/38/15/60/592381560.db2.gz TZUBKRHKXGMJEG-LJQANCHMSA-N 2 2 348.487 1.665 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906916901 592425593 /nfs/dbraw/zinc/42/55/93/592425593.db2.gz SUAWXGBXRRITSL-DLBZAZTESA-N 2 2 348.491 1.423 20 0 EDADLP O[C@H](C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1(O)CCCC1 ZINC000905151376 592440422 /nfs/dbraw/zinc/44/04/22/592440422.db2.gz AHIOHZMGENSWGZ-QGZVFWFLSA-N 2 2 340.508 1.525 20 0 EDADLP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000904304023 592472138 /nfs/dbraw/zinc/47/21/38/592472138.db2.gz PEUVLUUWAPXXEN-APWZRJJASA-N 2 2 344.459 1.864 20 0 EDADLP C[C@@]1(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CCC[NH2+]C1 ZINC000904337232 592475431 /nfs/dbraw/zinc/47/54/31/592475431.db2.gz RWRKMMPKZMAKLX-LJQANCHMSA-N 2 2 345.443 1.563 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC12CCCCC2 ZINC000908573928 592544862 /nfs/dbraw/zinc/54/48/62/592544862.db2.gz WKHYTZRLIZGMEW-UHFFFAOYSA-N 2 2 335.492 1.718 20 0 EDADLP C[N@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC12CCCCC2 ZINC000908573928 592544864 /nfs/dbraw/zinc/54/48/64/592544864.db2.gz WKHYTZRLIZGMEW-UHFFFAOYSA-N 2 2 335.492 1.718 20 0 EDADLP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cccnc1 ZINC000905554732 592564640 /nfs/dbraw/zinc/56/46/40/592564640.db2.gz ZGXUOJOAQWTQHS-SJLPKXTDSA-N 2 2 337.464 1.221 20 0 EDADLP CC(C)c1nc(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)nc(N(C)C)[nH+]1 ZINC000905696051 592626235 /nfs/dbraw/zinc/62/62/35/592626235.db2.gz VSCIQCWJYJVUPA-ZDUSSCGKSA-N 2 2 334.468 1.632 20 0 EDADLP Cn1ccc(C2CC[NH+](CN3C[C@H](c4c[nH+]cn4C)CC3=O)CC2)n1 ZINC000905721479 592629318 /nfs/dbraw/zinc/62/93/18/592629318.db2.gz CDBUARWYNNFUSK-OAHLLOKOSA-N 2 2 342.447 1.307 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000905935254 592688588 /nfs/dbraw/zinc/68/85/88/592688588.db2.gz UBBOULURAVDLHL-INIZCTEOSA-N 2 2 336.480 1.077 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000905935254 592688589 /nfs/dbraw/zinc/68/85/89/592688589.db2.gz UBBOULURAVDLHL-INIZCTEOSA-N 2 2 336.480 1.077 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)c1c[nH+]ccc1Nc1ccccc1 ZINC000907612216 592740198 /nfs/dbraw/zinc/74/01/98/592740198.db2.gz ACGTWCWKGLUJLB-UHFFFAOYSA-N 2 2 340.427 1.699 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)c1c[nH+]ccc1Nc1ccccc1 ZINC000907612216 592740200 /nfs/dbraw/zinc/74/02/00/592740200.db2.gz ACGTWCWKGLUJLB-UHFFFAOYSA-N 2 2 340.427 1.699 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906522616 592840048 /nfs/dbraw/zinc/84/00/48/592840048.db2.gz JHTIFEIIWUVUNF-MRXNPFEDSA-N 2 2 336.480 1.280 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906522616 592840051 /nfs/dbraw/zinc/84/00/51/592840051.db2.gz JHTIFEIIWUVUNF-MRXNPFEDSA-N 2 2 336.480 1.280 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NC[C@H](C)[NH+](C)C3CC3)co2)C1 ZINC000906539217 592846824 /nfs/dbraw/zinc/84/68/24/592846824.db2.gz GCGWFQTZLGNMDU-JSGCOSHPSA-N 2 2 336.436 1.108 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)NC[C@H](C)[N@H+](C)C3CC3)co2)C1 ZINC000906539217 592846828 /nfs/dbraw/zinc/84/68/28/592846828.db2.gz GCGWFQTZLGNMDU-JSGCOSHPSA-N 2 2 336.436 1.108 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)co2)C1 ZINC000906539217 592846832 /nfs/dbraw/zinc/84/68/32/592846832.db2.gz GCGWFQTZLGNMDU-JSGCOSHPSA-N 2 2 336.436 1.108 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776089 592893356 /nfs/dbraw/zinc/89/33/56/592893356.db2.gz CRWIWMGGPIMCMG-QGZVFWFLSA-N 2 2 336.439 1.932 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776089 592893357 /nfs/dbraw/zinc/89/33/57/592893357.db2.gz CRWIWMGGPIMCMG-QGZVFWFLSA-N 2 2 336.439 1.932 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1 ZINC000911022612 592908757 /nfs/dbraw/zinc/90/87/57/592908757.db2.gz NGHABYFROUQBLK-USXIJHARSA-N 2 2 344.459 1.028 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1 ZINC000911022612 592908758 /nfs/dbraw/zinc/90/87/58/592908758.db2.gz NGHABYFROUQBLK-USXIJHARSA-N 2 2 344.459 1.028 20 0 EDADLP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000735363483 592981729 /nfs/dbraw/zinc/98/17/29/592981729.db2.gz ALBOBHLUUKZUDD-ZWKOTPCHSA-N 2 2 331.460 1.571 20 0 EDADLP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000735363483 592981730 /nfs/dbraw/zinc/98/17/30/592981730.db2.gz ALBOBHLUUKZUDD-ZWKOTPCHSA-N 2 2 331.460 1.571 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000912136882 593065165 /nfs/dbraw/zinc/06/51/65/593065165.db2.gz XOPYUUFQZLWEPX-VHDGCEQUSA-N 2 2 348.834 1.643 20 0 EDADLP CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[NH2+]CC[NH3+] ZINC000912152401 593066189 /nfs/dbraw/zinc/06/61/89/593066189.db2.gz CJKPDKDKVRCTJY-UHFFFAOYSA-N 2 2 347.246 1.329 20 0 EDADLP CC[N@H+]1CCC[C@H](CN(C)C(=O)Cc2c[nH+]c[nH]2)[C@@H]1c1cnn(C)c1 ZINC000912408627 593093885 /nfs/dbraw/zinc/09/38/85/593093885.db2.gz NGOAEASJVVKCPS-RDTXWAMCSA-N 2 2 344.463 1.617 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N(Cc2[nH]cc[nH+]2)c2cncc(C)c2)[N@H+](C)C1 ZINC000912532772 593103730 /nfs/dbraw/zinc/10/37/30/593103730.db2.gz ZIAOTHHORBXUBQ-GJZGRUSLSA-N 2 2 329.404 1.365 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N(Cc2[nH]cc[nH+]2)c2cncc(C)c2)[N@@H+](C)C1 ZINC000912532772 593103731 /nfs/dbraw/zinc/10/37/31/593103731.db2.gz ZIAOTHHORBXUBQ-GJZGRUSLSA-N 2 2 329.404 1.365 20 0 EDADLP CC(C)[C@H]1N(C[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)[C@@]12CCCO2 ZINC000839952497 593219318 /nfs/dbraw/zinc/21/93/18/593219318.db2.gz GZUSNPPWXPHVBO-IEBWSBKVSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000810218795 593389154 /nfs/dbraw/zinc/38/91/54/593389154.db2.gz BYBTWRPNQXDBDZ-GUYCJALGSA-N 2 2 337.489 1.785 20 0 EDADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000810218795 593389157 /nfs/dbraw/zinc/38/91/57/593389157.db2.gz BYBTWRPNQXDBDZ-GUYCJALGSA-N 2 2 337.489 1.785 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1CCN(Cc2cccnc2)C1=O ZINC000840028567 593392566 /nfs/dbraw/zinc/39/25/66/593392566.db2.gz SGXBIQXLNTZGDE-UHFFFAOYSA-N 2 2 328.420 1.495 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1CCN(Cc2cccnc2)C1=O ZINC000840028567 593392570 /nfs/dbraw/zinc/39/25/70/593392570.db2.gz SGXBIQXLNTZGDE-UHFFFAOYSA-N 2 2 328.420 1.495 20 0 EDADLP CC1(C)C(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)[C@@H]1[C@H]1CCCO1 ZINC000811749367 593478607 /nfs/dbraw/zinc/47/86/07/593478607.db2.gz IEPLRMGKTBNYOJ-ARFHVFGLSA-N 2 2 332.448 1.894 20 0 EDADLP CC1(C)C(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)[C@@H]1[C@H]1CCCO1 ZINC000811749367 593478608 /nfs/dbraw/zinc/47/86/08/593478608.db2.gz IEPLRMGKTBNYOJ-ARFHVFGLSA-N 2 2 332.448 1.894 20 0 EDADLP CN(C(=O)NOC/C=C/Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000812705639 593507724 /nfs/dbraw/zinc/50/77/24/593507724.db2.gz CSUARZXOOKMTDK-RRFAQUSLSA-N 2 2 330.860 1.480 20 0 EDADLP CN(C(=O)NOC/C=C/Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000812705639 593507725 /nfs/dbraw/zinc/50/77/25/593507725.db2.gz CSUARZXOOKMTDK-RRFAQUSLSA-N 2 2 330.860 1.480 20 0 EDADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000813326352 593526548 /nfs/dbraw/zinc/52/65/48/593526548.db2.gz STCRLJDWVUSUDN-YSHGAJCASA-N 2 2 345.487 1.516 20 0 EDADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000813326352 593526550 /nfs/dbraw/zinc/52/65/50/593526550.db2.gz STCRLJDWVUSUDN-YSHGAJCASA-N 2 2 345.487 1.516 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000813368481 593529807 /nfs/dbraw/zinc/52/98/07/593529807.db2.gz KMXVNEKIAGUZEM-MAUKXSAKSA-N 2 2 341.471 1.522 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000813368481 593529808 /nfs/dbraw/zinc/52/98/08/593529808.db2.gz KMXVNEKIAGUZEM-MAUKXSAKSA-N 2 2 341.471 1.522 20 0 EDADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C[C@H](C)O1 ZINC000816531230 593530033 /nfs/dbraw/zinc/53/00/33/593530033.db2.gz KMBXERWGOXIYGF-KBPBESRZSA-N 2 2 333.432 1.720 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000816620626 593535512 /nfs/dbraw/zinc/53/55/12/593535512.db2.gz CWECTXMMNOZELU-UHFFFAOYSA-N 3 2 332.492 1.904 20 0 EDADLP COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000817274076 593586904 /nfs/dbraw/zinc/58/69/04/593586904.db2.gz ATQYCDHBZWWSAJ-GOSISDBHSA-N 2 2 336.407 1.606 20 0 EDADLP COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000817274076 593586906 /nfs/dbraw/zinc/58/69/06/593586906.db2.gz ATQYCDHBZWWSAJ-GOSISDBHSA-N 2 2 336.407 1.606 20 0 EDADLP CNC(=O)C1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000817274395 593586935 /nfs/dbraw/zinc/58/69/35/593586935.db2.gz CIISRFSNEVYWQE-UHFFFAOYSA-N 2 2 331.460 1.667 20 0 EDADLP CCn1nc(C)c(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000817656744 593620427 /nfs/dbraw/zinc/62/04/27/593620427.db2.gz NQHUARJMUBRYTR-UHFFFAOYSA-N 2 2 348.495 1.239 20 0 EDADLP CCn1nc(C)c(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000817656744 593620428 /nfs/dbraw/zinc/62/04/28/593620428.db2.gz NQHUARJMUBRYTR-UHFFFAOYSA-N 2 2 348.495 1.239 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000817913551 593648149 /nfs/dbraw/zinc/64/81/49/593648149.db2.gz JDYKQHIYKIVKKQ-CVEARBPZSA-N 3 2 325.497 1.772 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C[C@H]2[NH3+])cn1 ZINC000818431515 593697774 /nfs/dbraw/zinc/69/77/74/593697774.db2.gz OYOLKGBFVKAAIV-DLBZAZTESA-N 2 2 339.443 1.256 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)C[C@H]2[NH3+])cn1 ZINC000818431515 593697775 /nfs/dbraw/zinc/69/77/75/593697775.db2.gz OYOLKGBFVKAAIV-DLBZAZTESA-N 2 2 339.443 1.256 20 0 EDADLP C[C@H](C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)C[NH+]1CCOCC1 ZINC000819089252 593738383 /nfs/dbraw/zinc/73/83/83/593738383.db2.gz IQTOKFGTEBTHSZ-MRXNPFEDSA-N 2 2 348.491 1.639 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1-c1nn[nH]n1 ZINC000821804290 593943742 /nfs/dbraw/zinc/94/37/42/593943742.db2.gz LANRSTYJHLNOKS-WCQYABFASA-N 2 2 328.420 1.590 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1-c1nn[nH]n1 ZINC000821804290 593943743 /nfs/dbraw/zinc/94/37/43/593943743.db2.gz LANRSTYJHLNOKS-WCQYABFASA-N 2 2 328.420 1.590 20 0 EDADLP Cc1cn2ccc(C(=O)Nc3ccc(=O)n(CC[NH+](C)C)c3)cc2[nH+]1 ZINC000821318665 594015093 /nfs/dbraw/zinc/01/50/93/594015093.db2.gz HPXSWPDKWHIYKH-UHFFFAOYSA-N 2 2 339.399 1.618 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000821348017 594024261 /nfs/dbraw/zinc/02/42/61/594024261.db2.gz KYKBBYULBWFLAA-OALUTQOASA-N 2 2 336.476 1.371 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000821348017 594024262 /nfs/dbraw/zinc/02/42/62/594024262.db2.gz KYKBBYULBWFLAA-OALUTQOASA-N 2 2 336.476 1.371 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@](C)(O)c1ccc(F)cc1 ZINC000824955319 594104556 /nfs/dbraw/zinc/10/45/56/594104556.db2.gz AFTUORBXBVBNDI-QGZVFWFLSA-N 2 2 325.428 1.033 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@](C)(O)c1ccc(F)cc1 ZINC000824955319 594104558 /nfs/dbraw/zinc/10/45/58/594104558.db2.gz AFTUORBXBVBNDI-QGZVFWFLSA-N 2 2 325.428 1.033 20 0 EDADLP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000825199264 594146704 /nfs/dbraw/zinc/14/67/04/594146704.db2.gz VFRSXKPDVQBRGR-ROUUACIJSA-N 2 2 329.444 1.882 20 0 EDADLP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000825199264 594146706 /nfs/dbraw/zinc/14/67/06/594146706.db2.gz VFRSXKPDVQBRGR-ROUUACIJSA-N 2 2 329.444 1.882 20 0 EDADLP Fc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823304319 594182810 /nfs/dbraw/zinc/18/28/10/594182810.db2.gz QVOYJGNQRYILKT-OAHLLOKOSA-N 2 2 331.395 1.955 20 0 EDADLP Fc1ccc(C[N@H+]2CCC[C@@H]2c2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823304319 594182811 /nfs/dbraw/zinc/18/28/11/594182811.db2.gz QVOYJGNQRYILKT-OAHLLOKOSA-N 2 2 331.395 1.955 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000827666270 594253964 /nfs/dbraw/zinc/25/39/64/594253964.db2.gz NAOUWFNLJIKHQK-KRWDZBQOSA-N 2 2 325.497 1.727 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2oc1=O ZINC000827700432 594260298 /nfs/dbraw/zinc/26/02/98/594260298.db2.gz STRDAUFJTPIYPG-OAHLLOKOSA-N 2 2 331.416 1.163 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)cc2oc1=O ZINC000827700432 594260299 /nfs/dbraw/zinc/26/02/99/594260299.db2.gz STRDAUFJTPIYPG-OAHLLOKOSA-N 2 2 331.416 1.163 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000828142886 594350427 /nfs/dbraw/zinc/35/04/27/594350427.db2.gz VGLLZWWDTIRHCN-INIZCTEOSA-N 3 2 331.464 1.645 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000828142886 594350429 /nfs/dbraw/zinc/35/04/29/594350429.db2.gz VGLLZWWDTIRHCN-INIZCTEOSA-N 3 2 331.464 1.645 20 0 EDADLP Cc1ccc(N2CC[C@@H]([N@H+]3CCOC4(CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000830637166 594444806 /nfs/dbraw/zinc/44/48/06/594444806.db2.gz JCCXDCFRCYNVKD-GOSISDBHSA-N 2 2 343.471 1.897 20 0 EDADLP Cc1ccc(N2CC[C@@H]([N@@H+]3CCOC4(CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000830637166 594444808 /nfs/dbraw/zinc/44/48/08/594444808.db2.gz JCCXDCFRCYNVKD-GOSISDBHSA-N 2 2 343.471 1.897 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000831306390 594604385 /nfs/dbraw/zinc/60/43/85/594604385.db2.gz DTOIKOIYSLDYHB-MRXNPFEDSA-N 2 2 327.432 1.968 20 0 EDADLP C[NH+]1CCC(OCC(=O)N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000827207426 594652679 /nfs/dbraw/zinc/65/26/79/594652679.db2.gz GVCPSGTVTVZDLW-KRWDZBQOSA-N 2 2 346.406 1.865 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([NH+]4CCN(C)CC4)CC3)cc2[nH+]1 ZINC000827430228 594671199 /nfs/dbraw/zinc/67/11/99/594671199.db2.gz OEQHDMWSGFFFIZ-UHFFFAOYSA-N 2 2 341.459 1.495 20 0 EDADLP CCO[C@H](CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C[NH+](C)C ZINC000831707362 594694604 /nfs/dbraw/zinc/69/46/04/594694604.db2.gz CXQHGYHVVFNEBK-NEPJUHHUSA-N 2 2 336.358 1.460 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000835931207 594894675 /nfs/dbraw/zinc/89/46/75/594894675.db2.gz FLMKHHXCFHOGEA-AWEZNQCLSA-N 2 2 347.463 1.337 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])c1[nH+]ccn1C ZINC000841671275 594933634 /nfs/dbraw/zinc/93/36/34/594933634.db2.gz XXMCPWJBONUGER-JMSVASOKSA-N 2 2 331.420 1.553 20 0 EDADLP CC1(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CC[NH2+]CC1 ZINC000841691093 594938483 /nfs/dbraw/zinc/93/84/83/594938483.db2.gz ORGTUISOZYAZOM-UHFFFAOYSA-N 2 2 328.420 1.456 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cn1 ZINC000841722429 594943636 /nfs/dbraw/zinc/94/36/36/594943636.db2.gz NUSOOXXCWTVYQD-QWHCGFSZSA-N 2 2 328.420 1.468 20 0 EDADLP CCC[C@H](O)[C@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000842227201 595044685 /nfs/dbraw/zinc/04/46/85/595044685.db2.gz SGZUPZGCYWLHQE-OALUTQOASA-N 2 2 335.492 1.833 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000843353985 595084423 /nfs/dbraw/zinc/08/44/23/595084423.db2.gz PAHXQRCJIOLFJD-UHFFFAOYSA-N 2 2 339.461 1.230 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000843353985 595084425 /nfs/dbraw/zinc/08/44/25/595084425.db2.gz PAHXQRCJIOLFJD-UHFFFAOYSA-N 2 2 339.461 1.230 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc(=O)oc2c1 ZINC000843387639 595097438 /nfs/dbraw/zinc/09/74/38/595097438.db2.gz SSNHNODBOVYZKP-SUMWQHHRSA-N 2 2 341.411 1.935 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc(=O)oc2c1 ZINC000843387639 595097441 /nfs/dbraw/zinc/09/74/41/595097441.db2.gz SSNHNODBOVYZKP-SUMWQHHRSA-N 2 2 341.411 1.935 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842474596 595114266 /nfs/dbraw/zinc/11/42/66/595114266.db2.gz VTVSZFDMQFTSTR-BLLLJJGKSA-N 2 2 343.431 1.671 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842474596 595114269 /nfs/dbraw/zinc/11/42/69/595114269.db2.gz VTVSZFDMQFTSTR-BLLLJJGKSA-N 2 2 343.431 1.671 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000842474553 595114475 /nfs/dbraw/zinc/11/44/75/595114475.db2.gz VITSCWCSUYAKKH-UKRRQHHQSA-N 2 2 341.477 1.494 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000842474553 595114478 /nfs/dbraw/zinc/11/44/78/595114478.db2.gz VITSCWCSUYAKKH-UKRRQHHQSA-N 2 2 341.477 1.494 20 0 EDADLP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000843460210 595118247 /nfs/dbraw/zinc/11/82/47/595118247.db2.gz YQKICMJJHGGAEJ-QGZVFWFLSA-N 2 2 347.463 1.390 20 0 EDADLP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000843460210 595118250 /nfs/dbraw/zinc/11/82/50/595118250.db2.gz YQKICMJJHGGAEJ-QGZVFWFLSA-N 2 2 347.463 1.390 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)C1 ZINC000842619063 595144946 /nfs/dbraw/zinc/14/49/46/595144946.db2.gz YCONTXOEHZVMII-RDJZCZTQSA-N 2 2 340.427 1.847 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccccc3)C2)C1 ZINC000842619063 595144948 /nfs/dbraw/zinc/14/49/48/595144948.db2.gz YCONTXOEHZVMII-RDJZCZTQSA-N 2 2 340.427 1.847 20 0 EDADLP C[C@H]1C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC2(CCCC2)O1 ZINC000842642622 595154216 /nfs/dbraw/zinc/15/42/16/595154216.db2.gz HPEUAPNGYUHRBO-KXBFYZLASA-N 2 2 349.475 1.894 20 0 EDADLP C[C@H]1C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC2(CCCC2)O1 ZINC000842642622 595154218 /nfs/dbraw/zinc/15/42/18/595154218.db2.gz HPEUAPNGYUHRBO-KXBFYZLASA-N 2 2 349.475 1.894 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000846224698 595178721 /nfs/dbraw/zinc/17/87/21/595178721.db2.gz ZFFHKQROFDNAQK-WFASDCNBSA-N 2 2 327.450 1.091 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000846224698 595178724 /nfs/dbraw/zinc/17/87/24/595178724.db2.gz ZFFHKQROFDNAQK-WFASDCNBSA-N 2 2 327.450 1.091 20 0 EDADLP COC[C@@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000842968644 595249712 /nfs/dbraw/zinc/24/97/12/595249712.db2.gz VNYTVHQLADTCGR-WMLDXEAASA-N 2 2 340.464 1.140 20 0 EDADLP COC[C@@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000842968644 595249715 /nfs/dbraw/zinc/24/97/15/595249715.db2.gz VNYTVHQLADTCGR-WMLDXEAASA-N 2 2 340.464 1.140 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000843086492 595284185 /nfs/dbraw/zinc/28/41/85/595284185.db2.gz FSZYISAEASTBOC-YOEHRIQHSA-N 2 2 338.448 1.174 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000843086492 595284186 /nfs/dbraw/zinc/28/41/86/595284186.db2.gz FSZYISAEASTBOC-YOEHRIQHSA-N 2 2 338.448 1.174 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2I)[C@@H](C[NH3+])C1 ZINC000843120606 595291708 /nfs/dbraw/zinc/29/17/08/595291708.db2.gz RFULIBFZUFXASG-LBPRGKRZSA-N 2 2 345.228 1.366 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2I)[C@@H](C[NH3+])C1 ZINC000843120606 595291710 /nfs/dbraw/zinc/29/17/10/595291710.db2.gz RFULIBFZUFXASG-LBPRGKRZSA-N 2 2 345.228 1.366 20 0 EDADLP C[NH+]1CCC(ONC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000846648040 595292566 /nfs/dbraw/zinc/29/25/66/595292566.db2.gz NZWXXPYSDYXRRG-MRXNPFEDSA-N 2 2 332.448 1.436 20 0 EDADLP C[NH+]1CCC(ONC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000846648040 595292570 /nfs/dbraw/zinc/29/25/70/595292570.db2.gz NZWXXPYSDYXRRG-MRXNPFEDSA-N 2 2 332.448 1.436 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000846705683 595304730 /nfs/dbraw/zinc/30/47/30/595304730.db2.gz JQCBYDWGYYWCHV-GOEBONIOSA-N 2 2 344.459 1.241 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000846705683 595304732 /nfs/dbraw/zinc/30/47/32/595304732.db2.gz JQCBYDWGYYWCHV-GOEBONIOSA-N 2 2 344.459 1.241 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000844219938 595305556 /nfs/dbraw/zinc/30/55/56/595305556.db2.gz OYGJDWMAKNJLBR-WMLDXEAASA-N 2 2 332.448 1.131 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000844219938 595305558 /nfs/dbraw/zinc/30/55/58/595305558.db2.gz OYGJDWMAKNJLBR-WMLDXEAASA-N 2 2 332.448 1.131 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844295169 595318410 /nfs/dbraw/zinc/31/84/10/595318410.db2.gz PYVMSGMTTUWGRN-IAGOWNOFSA-N 2 2 336.480 1.072 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844295169 595318412 /nfs/dbraw/zinc/31/84/12/595318412.db2.gz PYVMSGMTTUWGRN-IAGOWNOFSA-N 2 2 336.480 1.072 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000846820265 595321667 /nfs/dbraw/zinc/32/16/67/595321667.db2.gz IPKCJCZPICURDV-GBESFXJTSA-N 2 2 336.476 1.514 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000846820265 595321668 /nfs/dbraw/zinc/32/16/68/595321668.db2.gz IPKCJCZPICURDV-GBESFXJTSA-N 2 2 336.476 1.514 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000846820265 595321670 /nfs/dbraw/zinc/32/16/70/595321670.db2.gz IPKCJCZPICURDV-GBESFXJTSA-N 2 2 336.476 1.514 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000846820265 595321672 /nfs/dbraw/zinc/32/16/72/595321672.db2.gz IPKCJCZPICURDV-GBESFXJTSA-N 2 2 336.476 1.514 20 0 EDADLP CCOC(=O)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000848520407 595401886 /nfs/dbraw/zinc/40/18/86/595401886.db2.gz YXFQPJJEHVFIOF-MRXNPFEDSA-N 2 2 325.453 1.450 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848679304 595427181 /nfs/dbraw/zinc/42/71/81/595427181.db2.gz UGSZHUGAZIHMDK-SJORKVTESA-N 2 2 333.432 1.052 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848679304 595427183 /nfs/dbraw/zinc/42/71/83/595427183.db2.gz UGSZHUGAZIHMDK-SJORKVTESA-N 2 2 333.432 1.052 20 0 EDADLP C/C(=C/c1ccccn1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000847489777 595432813 /nfs/dbraw/zinc/43/28/13/595432813.db2.gz SPNAQQXWKDBGRG-NXVVXOECSA-N 2 2 330.476 1.969 20 0 EDADLP C/C(=C/c1ccccn1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000847489777 595432814 /nfs/dbraw/zinc/43/28/14/595432814.db2.gz SPNAQQXWKDBGRG-NXVVXOECSA-N 2 2 330.476 1.969 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@]3(CC3(F)F)C2)CC1 ZINC000845076464 595437401 /nfs/dbraw/zinc/43/74/01/595437401.db2.gz LYGDVACCZBVZRS-MRXNPFEDSA-N 2 2 344.450 1.843 20 0 EDADLP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000849018483 595475059 /nfs/dbraw/zinc/47/50/59/595475059.db2.gz ACWFSHVVJUQJKP-DLBZAZTESA-N 2 2 332.448 1.180 20 0 EDADLP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000849018483 595475060 /nfs/dbraw/zinc/47/50/60/595475060.db2.gz ACWFSHVVJUQJKP-DLBZAZTESA-N 2 2 332.448 1.180 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845455922 595500796 /nfs/dbraw/zinc/50/07/96/595500796.db2.gz VPYBODNQRBKSFL-AWEZNQCLSA-N 2 2 336.436 1.595 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000850518167 595527362 /nfs/dbraw/zinc/52/73/62/595527362.db2.gz MMVCELYNGKPKKE-WOPDTQHZSA-N 2 2 328.400 1.426 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000850518167 595527364 /nfs/dbraw/zinc/52/73/64/595527364.db2.gz MMVCELYNGKPKKE-WOPDTQHZSA-N 2 2 328.400 1.426 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000852807049 595551397 /nfs/dbraw/zinc/55/13/97/595551397.db2.gz PBMYWIQEAZWSCS-TZMCWYRMSA-N 2 2 347.806 1.383 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000852870303 595589132 /nfs/dbraw/zinc/58/91/32/595589132.db2.gz ROFOYFGLFJWOGO-CYBMUJFWSA-N 2 2 343.340 1.716 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000852870303 595589136 /nfs/dbraw/zinc/58/91/36/595589136.db2.gz ROFOYFGLFJWOGO-CYBMUJFWSA-N 2 2 343.340 1.716 20 0 EDADLP C[C@@H]1CCc2nc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cn2C1 ZINC000857927065 595654943 /nfs/dbraw/zinc/65/49/43/595654943.db2.gz YEBYBOJZBBVCQG-HUUCEWRRSA-N 2 2 345.491 1.364 20 0 EDADLP C[C@@H]1CCc2nc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cn2C1 ZINC000857927065 595654944 /nfs/dbraw/zinc/65/49/44/595654944.db2.gz YEBYBOJZBBVCQG-HUUCEWRRSA-N 2 2 345.491 1.364 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000857987593 595679230 /nfs/dbraw/zinc/67/92/30/595679230.db2.gz WFDQZKDDRLUWFY-RDJZCZTQSA-N 2 2 326.400 1.345 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000857987593 595679232 /nfs/dbraw/zinc/67/92/32/595679232.db2.gz WFDQZKDDRLUWFY-RDJZCZTQSA-N 2 2 326.400 1.345 20 0 EDADLP CCc1nn(C)c(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858224444 595735928 /nfs/dbraw/zinc/73/59/28/595735928.db2.gz GREGVDLTQNAQCI-ZDUSSCGKSA-N 2 2 327.860 1.065 20 0 EDADLP CCc1nn(C)c(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858224444 595735932 /nfs/dbraw/zinc/73/59/32/595735932.db2.gz GREGVDLTQNAQCI-ZDUSSCGKSA-N 2 2 327.860 1.065 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccns1 ZINC000858237561 595739590 /nfs/dbraw/zinc/73/95/90/595739590.db2.gz CKKQCOMWCKQMBL-OLZOCXBDSA-N 2 2 337.493 1.672 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccns1 ZINC000858237561 595739593 /nfs/dbraw/zinc/73/95/93/595739593.db2.gz CKKQCOMWCKQMBL-OLZOCXBDSA-N 2 2 337.493 1.672 20 0 EDADLP NC(=O)C1CCN(c2[nH+]cccc2CNc2cc[nH+]c(CO)c2)CC1 ZINC000858394888 595784783 /nfs/dbraw/zinc/78/47/83/595784783.db2.gz CCXNXLCYIOXQNV-UHFFFAOYSA-N 2 2 341.415 1.283 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1Cn1cccn1 ZINC000858549447 595825996 /nfs/dbraw/zinc/82/59/96/595825996.db2.gz WQSRQUONCSOKES-MAUKXSAKSA-N 2 2 344.459 1.657 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1Cn1cccn1 ZINC000858549447 595826001 /nfs/dbraw/zinc/82/60/01/595826001.db2.gz WQSRQUONCSOKES-MAUKXSAKSA-N 2 2 344.459 1.657 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CSCCS1 ZINC000853844351 595899044 /nfs/dbraw/zinc/89/90/44/595899044.db2.gz LXUFYOGFJKHJQI-CYBMUJFWSA-N 2 2 334.555 1.018 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CSCCS1 ZINC000853844351 595899046 /nfs/dbraw/zinc/89/90/46/595899046.db2.gz LXUFYOGFJKHJQI-CYBMUJFWSA-N 2 2 334.555 1.018 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795369 595926061 /nfs/dbraw/zinc/92/60/61/595926061.db2.gz XTTLRNKATSRNGS-CABCVRRESA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795369 595926062 /nfs/dbraw/zinc/92/60/62/595926062.db2.gz XTTLRNKATSRNGS-CABCVRRESA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795369 595926065 /nfs/dbraw/zinc/92/60/65/595926065.db2.gz XTTLRNKATSRNGS-CABCVRRESA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795369 595926066 /nfs/dbraw/zinc/92/60/66/595926066.db2.gz XTTLRNKATSRNGS-CABCVRRESA-N 2 2 329.485 1.629 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000854049379 595962698 /nfs/dbraw/zinc/96/26/98/595962698.db2.gz ZSOFLEIOBNHQQC-QGZVFWFLSA-N 2 2 348.491 1.563 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000854049379 595962703 /nfs/dbraw/zinc/96/27/03/595962703.db2.gz ZSOFLEIOBNHQQC-QGZVFWFLSA-N 2 2 348.491 1.563 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000854222726 596006485 /nfs/dbraw/zinc/00/64/85/596006485.db2.gz KPOVPHNDMJURPB-BRSBDYLESA-N 2 2 347.459 1.024 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3SCCS3)C2)CC1 ZINC000852128122 596053964 /nfs/dbraw/zinc/05/39/64/596053964.db2.gz GQKITIDMLJMWMD-LBPRGKRZSA-N 2 2 344.550 1.260 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3SCCS3)C2)CC1 ZINC000852128122 596053965 /nfs/dbraw/zinc/05/39/65/596053965.db2.gz GQKITIDMLJMWMD-LBPRGKRZSA-N 2 2 344.550 1.260 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3COC4(CCC4)C3)C2)CC1 ZINC000852128674 596054113 /nfs/dbraw/zinc/05/41/13/596054113.db2.gz WBQVORYRIFUVRA-CABCVRRESA-N 2 2 336.480 1.166 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3COC4(CCC4)C3)C2)CC1 ZINC000852128674 596054116 /nfs/dbraw/zinc/05/41/16/596054116.db2.gz WBQVORYRIFUVRA-CABCVRRESA-N 2 2 336.480 1.166 20 0 EDADLP CC[NH2+]CC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000856777055 596080356 /nfs/dbraw/zinc/08/03/56/596080356.db2.gz OUWZSNZTCRZKGL-UHFFFAOYSA-N 2 2 325.840 1.473 20 0 EDADLP O=C1CCC2=C(CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)N1 ZINC000852294622 596114816 /nfs/dbraw/zinc/11/48/16/596114816.db2.gz DAJBTVJMDHRPAI-UHFFFAOYSA-N 2 2 341.455 1.889 20 0 EDADLP O=C1CCC2=C(CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)N1 ZINC000852294622 596114818 /nfs/dbraw/zinc/11/48/18/596114818.db2.gz DAJBTVJMDHRPAI-UHFFFAOYSA-N 2 2 341.455 1.889 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000857308239 596210308 /nfs/dbraw/zinc/21/03/08/596210308.db2.gz LIWGBQUYCATPAN-LJQANCHMSA-N 2 2 346.475 1.569 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000857308239 596210310 /nfs/dbraw/zinc/21/03/10/596210310.db2.gz LIWGBQUYCATPAN-LJQANCHMSA-N 2 2 346.475 1.569 20 0 EDADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000852652906 596219524 /nfs/dbraw/zinc/21/95/24/596219524.db2.gz HODMFFIYOXGLGV-OAHLLOKOSA-N 2 2 328.420 1.455 20 0 EDADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000852652906 596219526 /nfs/dbraw/zinc/21/95/26/596219526.db2.gz HODMFFIYOXGLGV-OAHLLOKOSA-N 2 2 328.420 1.455 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CC(F)F)C3)CC[C@H]21 ZINC000866708210 596302674 /nfs/dbraw/zinc/30/26/74/596302674.db2.gz DEDWWSXLSHTEFI-QLFBSQMISA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CC(F)F)C3)CC[C@H]21 ZINC000866708210 596302679 /nfs/dbraw/zinc/30/26/79/596302679.db2.gz DEDWWSXLSHTEFI-QLFBSQMISA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CC(F)F)C3)CC[C@H]21 ZINC000866708210 596302683 /nfs/dbraw/zinc/30/26/83/596302683.db2.gz DEDWWSXLSHTEFI-QLFBSQMISA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CC(F)F)C3)CC[C@H]21 ZINC000866708210 596302685 /nfs/dbraw/zinc/30/26/85/596302685.db2.gz DEDWWSXLSHTEFI-QLFBSQMISA-N 2 2 329.435 1.906 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Cl)n1 ZINC000866712794 596305957 /nfs/dbraw/zinc/30/59/57/596305957.db2.gz XOLRWFVZTANAJG-MCIONIFRSA-N 2 2 336.823 1.410 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Cl)n1 ZINC000866712794 596305961 /nfs/dbraw/zinc/30/59/61/596305961.db2.gz XOLRWFVZTANAJG-MCIONIFRSA-N 2 2 336.823 1.410 20 0 EDADLP Cc1cc(NC(=O)/C=C\C[NH+]2CCOCC2)ccc1OCC[NH+](C)C ZINC000868850841 596325781 /nfs/dbraw/zinc/32/57/81/596325781.db2.gz KFWUYPDETRHGGH-PLNGDYQASA-N 2 2 347.459 1.762 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000870854646 596378341 /nfs/dbraw/zinc/37/83/41/596378341.db2.gz QGFRCTZBBDROFQ-SWKXRBFHSA-N 2 2 349.500 1.770 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000869108200 596413176 /nfs/dbraw/zinc/41/31/76/596413176.db2.gz MMSKZXBUDFRVHB-MJGOQNOKSA-N 2 2 328.460 1.910 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000869108200 596413177 /nfs/dbraw/zinc/41/31/77/596413177.db2.gz MMSKZXBUDFRVHB-MJGOQNOKSA-N 2 2 328.460 1.910 20 0 EDADLP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@@H]3c4ccccc4C[N@H+]3C)C2)C1 ZINC000869108200 596413179 /nfs/dbraw/zinc/41/31/79/596413179.db2.gz MMSKZXBUDFRVHB-MJGOQNOKSA-N 2 2 328.460 1.910 20 0 EDADLP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@@H]3c4ccccc4C[N@@H+]3C)C2)C1 ZINC000869108200 596413181 /nfs/dbraw/zinc/41/31/81/596413181.db2.gz MMSKZXBUDFRVHB-MJGOQNOKSA-N 2 2 328.460 1.910 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[NH2+]CC3CC3)C2)cc1 ZINC000870980019 596427389 /nfs/dbraw/zinc/42/73/89/596427389.db2.gz WIKSOILDKJVHCS-GOSISDBHSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[NH2+]CC3CC3)C2)cc1 ZINC000870980019 596427391 /nfs/dbraw/zinc/42/73/91/596427391.db2.gz WIKSOILDKJVHCS-GOSISDBHSA-N 2 2 331.460 1.312 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@H]([NH3+])CC3CCCCC3)CC2)CC1 ZINC000870982169 596429178 /nfs/dbraw/zinc/42/91/78/596429178.db2.gz YCTBKRRZVNMXJL-GOSISDBHSA-N 2 2 336.524 1.523 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CC(F)F)C2)CC1 ZINC000865009704 596442927 /nfs/dbraw/zinc/44/29/27/596442927.db2.gz DYHDWKHBMGWAPB-AWEZNQCLSA-N 2 2 333.423 1.144 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CC(F)F)C2)CC1 ZINC000865009704 596442929 /nfs/dbraw/zinc/44/29/29/596442929.db2.gz DYHDWKHBMGWAPB-AWEZNQCLSA-N 2 2 333.423 1.144 20 0 EDADLP COCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865009704 596442931 /nfs/dbraw/zinc/44/29/31/596442931.db2.gz DYHDWKHBMGWAPB-AWEZNQCLSA-N 2 2 333.423 1.144 20 0 EDADLP COCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865009704 596442933 /nfs/dbraw/zinc/44/29/33/596442933.db2.gz DYHDWKHBMGWAPB-AWEZNQCLSA-N 2 2 333.423 1.144 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)/C=C\C[NH+]3CCOCC3)C2)CC1 ZINC000865068938 596462993 /nfs/dbraw/zinc/46/29/93/596462993.db2.gz XHYISQVTGXQHIF-UABKOXTMSA-N 2 2 349.519 1.845 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000865156563 596494650 /nfs/dbraw/zinc/49/46/50/596494650.db2.gz GQJBHDRRJCDOCT-FNQPIQQGSA-N 2 2 349.519 1.989 20 0 EDADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865423687 596569992 /nfs/dbraw/zinc/56/99/92/596569992.db2.gz NBKNBRKYDPSOLB-LLVKDONJSA-N 2 2 342.365 1.890 20 0 EDADLP C[C@H]1CCCN1CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865478920 596586412 /nfs/dbraw/zinc/58/64/12/596586412.db2.gz SCCKZBBKGRCJLM-SFHVURJKSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000865505947 596593401 /nfs/dbraw/zinc/59/34/01/596593401.db2.gz MVWNBSYSTHPCFP-AEFFLSMTSA-N 2 2 335.496 1.915 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000865505947 596593403 /nfs/dbraw/zinc/59/34/03/596593403.db2.gz MVWNBSYSTHPCFP-AEFFLSMTSA-N 2 2 335.496 1.915 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867914649 596614667 /nfs/dbraw/zinc/61/46/67/596614667.db2.gz NZHDZMIDCNARIF-QTWIXLPOSA-N 2 2 343.471 1.513 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867914649 596614668 /nfs/dbraw/zinc/61/46/68/596614668.db2.gz NZHDZMIDCNARIF-QTWIXLPOSA-N 2 2 343.471 1.513 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC000120672758 596635661 /nfs/dbraw/zinc/63/56/61/596635661.db2.gz XIRFZRFMWXGUQB-UHFFFAOYSA-N 2 2 345.447 1.921 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659524 596641532 /nfs/dbraw/zinc/64/15/32/596641532.db2.gz ATQSPKCWYOTQLD-LSDHHAIUSA-N 2 2 341.496 1.821 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659524 596641533 /nfs/dbraw/zinc/64/15/33/596641533.db2.gz ATQSPKCWYOTQLD-LSDHHAIUSA-N 2 2 341.496 1.821 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3[NH2+]CC3(C)C)C2)c1 ZINC000867998637 596649482 /nfs/dbraw/zinc/64/94/82/596649482.db2.gz YUONVKKNBBNOOU-IRXDYDNUSA-N 2 2 331.460 1.310 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3[NH2+]CC3(C)C)C2)c1 ZINC000867998637 596649486 /nfs/dbraw/zinc/64/94/86/596649486.db2.gz YUONVKKNBBNOOU-IRXDYDNUSA-N 2 2 331.460 1.310 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)CC[C@@H]21 ZINC000868029934 596660982 /nfs/dbraw/zinc/66/09/82/596660982.db2.gz FORYFKGRTFWGNY-HOTGVXAUSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)CC[C@@H]21 ZINC000868029934 596660983 /nfs/dbraw/zinc/66/09/83/596660983.db2.gz FORYFKGRTFWGNY-HOTGVXAUSA-N 2 2 340.431 1.503 20 0 EDADLP Cc1ccn(C[C@@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865727540 596661246 /nfs/dbraw/zinc/66/12/46/596661246.db2.gz AWHYNSBDBZPDFC-QAPCUYQASA-N 2 2 347.507 1.455 20 0 EDADLP Cc1ccn(C[C@@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865727540 596661252 /nfs/dbraw/zinc/66/12/52/596661252.db2.gz AWHYNSBDBZPDFC-QAPCUYQASA-N 2 2 347.507 1.455 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000871689006 596672540 /nfs/dbraw/zinc/67/25/40/596672540.db2.gz VMALMCPRBQQZSY-CQSZACIVSA-N 2 2 330.542 1.149 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000871689006 596672542 /nfs/dbraw/zinc/67/25/42/596672542.db2.gz VMALMCPRBQQZSY-CQSZACIVSA-N 2 2 330.542 1.149 20 0 EDADLP Nc1nc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc(C2CCCC2)[nH+]1 ZINC000865760838 596672889 /nfs/dbraw/zinc/67/28/89/596672889.db2.gz GVVAVPACKDHQGB-AWEZNQCLSA-N 2 2 346.479 1.660 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)CC(C)C ZINC000865787379 596682815 /nfs/dbraw/zinc/68/28/15/596682815.db2.gz PCKVATDNOBFGCL-IWAYRVGRSA-N 2 2 325.497 1.748 20 0 EDADLP CN1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)Cc2ccc[nH+]c21 ZINC000868167099 596708196 /nfs/dbraw/zinc/70/81/96/596708196.db2.gz PMSGGISYSASAPQ-UHFFFAOYSA-N 2 2 341.415 1.903 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c[nH+]1 ZINC000864086866 596751960 /nfs/dbraw/zinc/75/19/60/596751960.db2.gz KLKFQMABVJZCOP-RYUDHWBXSA-N 2 2 332.370 1.912 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000866010055 596757066 /nfs/dbraw/zinc/75/70/66/596757066.db2.gz SVWPNHBQURQNNL-CQSZACIVSA-N 2 2 330.407 1.960 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[NH2+]2)cc1 ZINC000870142132 596768874 /nfs/dbraw/zinc/76/88/74/596768874.db2.gz GUZFMWLZVKGXJC-DOTOQJQBSA-N 2 2 340.427 1.627 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000870143499 596769805 /nfs/dbraw/zinc/76/98/05/596769805.db2.gz UQBPYJLFHXLJDZ-CRAIPNDOSA-N 2 2 347.459 1.136 20 0 EDADLP CCOC(=O)[C@H](C)C1C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000871993761 596784402 /nfs/dbraw/zinc/78/44/02/596784402.db2.gz PPLWDUKZPDWUSK-QAPCUYQASA-N 2 2 334.460 1.610 20 0 EDADLP CCOC(=O)[C@H](C)C1C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000871993761 596784404 /nfs/dbraw/zinc/78/44/04/596784404.db2.gz PPLWDUKZPDWUSK-QAPCUYQASA-N 2 2 334.460 1.610 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000872110175 596807482 /nfs/dbraw/zinc/80/74/82/596807482.db2.gz WHXPKBBZLNUCHE-QRQLOZEOSA-N 2 2 337.508 1.330 20 0 EDADLP C(C[NH+]1CCC([NH2+]C[C@H]2C[C@H]3CCC[C@@H]3O2)CC1)N1CCOCC1 ZINC000872110175 596807484 /nfs/dbraw/zinc/80/74/84/596807484.db2.gz WHXPKBBZLNUCHE-QRQLOZEOSA-N 2 2 337.508 1.330 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)C[C@H]1C(F)(F)F ZINC000872150155 596812760 /nfs/dbraw/zinc/81/27/60/596812760.db2.gz YRAUXHLAZJMMSW-HUUCEWRRSA-N 2 2 341.377 1.640 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)C[C@H]1C(F)(F)F ZINC000872150155 596812763 /nfs/dbraw/zinc/81/27/63/596812763.db2.gz YRAUXHLAZJMMSW-HUUCEWRRSA-N 2 2 341.377 1.640 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CCn2cnc3ccccc3c2=O)C[C@H]1C(F)(F)F ZINC000872151390 596813336 /nfs/dbraw/zinc/81/33/36/596813336.db2.gz VQYIEUUDLGRQRH-WCQYABFASA-N 2 2 340.349 1.466 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CCn2cnc3ccccc3c2=O)C[C@H]1C(F)(F)F ZINC000872151390 596813339 /nfs/dbraw/zinc/81/33/39/596813339.db2.gz VQYIEUUDLGRQRH-WCQYABFASA-N 2 2 340.349 1.466 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)NCc1cnn(-c3ccccc3)c1)C2 ZINC000872151549 596813461 /nfs/dbraw/zinc/81/34/61/596813461.db2.gz GBNOUUZODIGZCG-QFBILLFUSA-N 2 2 339.443 1.030 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)NCc1cnn(-c3ccccc3)c1)C2 ZINC000872151549 596813465 /nfs/dbraw/zinc/81/34/65/596813465.db2.gz GBNOUUZODIGZCG-QFBILLFUSA-N 2 2 339.443 1.030 20 0 EDADLP CN(C)c1cc[nH+]c(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)n1 ZINC000866169879 596816047 /nfs/dbraw/zinc/81/60/47/596816047.db2.gz VXLVEXLCHJXWOB-UHFFFAOYSA-N 2 2 335.452 1.761 20 0 EDADLP CCc1[nH+]c2ccccc2n1Cc1noc([C@@]2(C)C[NH2+]CCO2)n1 ZINC000872177484 596821162 /nfs/dbraw/zinc/82/11/62/596821162.db2.gz KANCATIILYIPKY-QGZVFWFLSA-N 2 2 327.388 1.865 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)nc[nH+]2)C1 ZINC000866208506 596827886 /nfs/dbraw/zinc/82/78/86/596827886.db2.gz MRMYXAWNYXMYEX-XUWVNRHRSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)nc[nH+]2)C1 ZINC000866208506 596827888 /nfs/dbraw/zinc/82/78/88/596827888.db2.gz MRMYXAWNYXMYEX-XUWVNRHRSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)[nH+]cn2)C1 ZINC000866208506 596827890 /nfs/dbraw/zinc/82/78/90/596827890.db2.gz MRMYXAWNYXMYEX-XUWVNRHRSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)[nH+]cn2)C1 ZINC000866208506 596827892 /nfs/dbraw/zinc/82/78/92/596827892.db2.gz MRMYXAWNYXMYEX-XUWVNRHRSA-N 2 2 331.464 1.214 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+](Cc2ccccc2)C1 ZINC000872200285 596833219 /nfs/dbraw/zinc/83/32/19/596833219.db2.gz YZAPUNWDNCYBEI-UFYCRDLUSA-N 3 2 345.487 1.076 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+](Cc2ccccc2)C1 ZINC000872200285 596833220 /nfs/dbraw/zinc/83/32/20/596833220.db2.gz YZAPUNWDNCYBEI-UFYCRDLUSA-N 3 2 345.487 1.076 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+](Cc2ccccc2)C1 ZINC000872200285 596833221 /nfs/dbraw/zinc/83/32/21/596833221.db2.gz YZAPUNWDNCYBEI-UFYCRDLUSA-N 3 2 345.487 1.076 20 0 EDADLP O[C@]1(C[NH2+]C[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000872200285 596833222 /nfs/dbraw/zinc/83/32/22/596833222.db2.gz YZAPUNWDNCYBEI-UFYCRDLUSA-N 3 2 345.487 1.076 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866249956 596837648 /nfs/dbraw/zinc/83/76/48/596837648.db2.gz RHOLZYXPUNSELP-NSHDSACASA-N 2 2 336.823 1.906 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](OC3CCC3)CC2)CC1 ZINC000872276819 596864782 /nfs/dbraw/zinc/86/47/82/596864782.db2.gz MINUGESLQLWBQC-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](OC3CCC3)CC2)CC1 ZINC000872276819 596864783 /nfs/dbraw/zinc/86/47/83/596864783.db2.gz MINUGESLQLWBQC-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C)c3[nH+]cccc3C1)CC2 ZINC000872311481 596877719 /nfs/dbraw/zinc/87/77/19/596877719.db2.gz NRPAHNGKUBSFHQ-OAHLLOKOSA-N 2 2 325.416 1.628 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000866413954 596880121 /nfs/dbraw/zinc/88/01/21/596880121.db2.gz XJIHADMRBZWDPU-OCCSQVGLSA-N 2 2 333.432 1.513 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000866413954 596880124 /nfs/dbraw/zinc/88/01/24/596880124.db2.gz XJIHADMRBZWDPU-OCCSQVGLSA-N 2 2 333.432 1.513 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000866414242 596880431 /nfs/dbraw/zinc/88/04/31/596880431.db2.gz BCWDRDLNFZNJQG-ARJAWSKDSA-N 2 2 337.508 1.749 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[NH+]2CCCC2)CC1 ZINC000874007990 596896843 /nfs/dbraw/zinc/89/68/43/596896843.db2.gz OTDCGYIZRCMTEW-UHFFFAOYSA-N 2 2 344.503 1.536 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000875709904 596956077 /nfs/dbraw/zinc/95/60/77/596956077.db2.gz MDVKUBZFQSIYTR-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000875709904 596956081 /nfs/dbraw/zinc/95/60/81/596956081.db2.gz MDVKUBZFQSIYTR-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000875709904 596956082 /nfs/dbraw/zinc/95/60/82/596956082.db2.gz MDVKUBZFQSIYTR-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000875709904 596956084 /nfs/dbraw/zinc/95/60/84/596956084.db2.gz MDVKUBZFQSIYTR-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CN1CCC2(CCCC2)C1=O ZINC000872592906 596980415 /nfs/dbraw/zinc/98/04/15/596980415.db2.gz SBTGTNDPDDYJCW-IKGGRYGDSA-N 2 2 335.492 1.920 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CN1CCC2(CCCC2)C1=O ZINC000872592906 596980417 /nfs/dbraw/zinc/98/04/17/596980417.db2.gz SBTGTNDPDDYJCW-IKGGRYGDSA-N 2 2 335.492 1.920 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[C@@H]2CC(C)(C)CO2)CC1 ZINC000888683555 597011918 /nfs/dbraw/zinc/01/19/18/597011918.db2.gz MTZSVXYTDRGAEC-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000876205894 597136107 /nfs/dbraw/zinc/13/61/07/597136107.db2.gz XWFKOJIDNQPKGL-WMZOPIPTSA-N 2 2 346.475 1.319 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000876205894 597136110 /nfs/dbraw/zinc/13/61/10/597136110.db2.gz XWFKOJIDNQPKGL-WMZOPIPTSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000876205894 597136111 /nfs/dbraw/zinc/13/61/11/597136111.db2.gz XWFKOJIDNQPKGL-WMZOPIPTSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000876205894 597136113 /nfs/dbraw/zinc/13/61/13/597136113.db2.gz XWFKOJIDNQPKGL-WMZOPIPTSA-N 2 2 346.475 1.319 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)nn2)cc1 ZINC000873109453 597198320 /nfs/dbraw/zinc/19/83/20/597198320.db2.gz SCVYQZDUFLEMPQ-HNNXBMFYSA-N 2 2 338.415 1.636 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)[C@@H]1CCC[NH2+]1 ZINC000873249770 597240271 /nfs/dbraw/zinc/24/02/71/597240271.db2.gz OLBGCIGQTVXCPL-CVEARBPZSA-N 2 2 330.432 1.359 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000873293217 597249248 /nfs/dbraw/zinc/24/92/48/597249248.db2.gz JAZZGGIEVLECCQ-CXAGYDPISA-N 2 2 345.468 1.699 20 0 EDADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876731040 597310882 /nfs/dbraw/zinc/31/08/82/597310882.db2.gz NCDBKUKGFBJZGX-HUUCEWRRSA-N 2 2 342.447 1.859 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000876752644 597322074 /nfs/dbraw/zinc/32/20/74/597322074.db2.gz VPZNCHDNPYHLLF-CDITXYPMSA-N 2 2 343.471 1.751 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876752413 597322503 /nfs/dbraw/zinc/32/25/03/597322503.db2.gz OZQWDDMUTLUIAR-QUCCMNQESA-N 2 2 343.471 1.872 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H]3CSC[C@@H]3C2)CC1 ZINC000875428674 597424391 /nfs/dbraw/zinc/42/43/91/597424391.db2.gz PTXNHIBKCZPRNI-GJZGRUSLSA-N 2 2 340.537 1.407 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000877247651 597478439 /nfs/dbraw/zinc/47/84/39/597478439.db2.gz SYUDYGRYYZQTHP-KRWDZBQOSA-N 2 2 339.443 1.265 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000877247651 597478441 /nfs/dbraw/zinc/47/84/41/597478441.db2.gz SYUDYGRYYZQTHP-KRWDZBQOSA-N 2 2 339.443 1.265 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)cn2c1 ZINC000877374744 597504590 /nfs/dbraw/zinc/50/45/90/597504590.db2.gz IOSAABQEWYLWSF-KBXCAEBGSA-N 2 2 344.484 1.944 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000877665242 597545901 /nfs/dbraw/zinc/54/59/01/597545901.db2.gz NORNIMKSWMBXPS-AWEZNQCLSA-N 2 2 341.496 1.726 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000877665242 597545902 /nfs/dbraw/zinc/54/59/02/597545902.db2.gz NORNIMKSWMBXPS-AWEZNQCLSA-N 2 2 341.496 1.726 20 0 EDADLP COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000877711957 597549498 /nfs/dbraw/zinc/54/94/98/597549498.db2.gz DGFHYVIKXVWDEB-QGZVFWFLSA-N 2 2 341.371 1.161 20 0 EDADLP COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000877711957 597549499 /nfs/dbraw/zinc/54/94/99/597549499.db2.gz DGFHYVIKXVWDEB-QGZVFWFLSA-N 2 2 341.371 1.161 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744843 597552383 /nfs/dbraw/zinc/55/23/83/597552383.db2.gz YIHSQBXBCCMRFR-DOTOQJQBSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744843 597552384 /nfs/dbraw/zinc/55/23/84/597552384.db2.gz YIHSQBXBCCMRFR-DOTOQJQBSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744843 597552385 /nfs/dbraw/zinc/55/23/85/597552385.db2.gz YIHSQBXBCCMRFR-DOTOQJQBSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744843 597552386 /nfs/dbraw/zinc/55/23/86/597552386.db2.gz YIHSQBXBCCMRFR-DOTOQJQBSA-N 2 2 331.460 1.680 20 0 EDADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1c(I)cnn1C ZINC000877776333 597554860 /nfs/dbraw/zinc/55/48/60/597554860.db2.gz GJXDDCLCUWKVIJ-SECBINFHSA-N 2 2 336.221 1.455 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ncccc2C)C1 ZINC000878159486 597583055 /nfs/dbraw/zinc/58/30/55/597583055.db2.gz YEPUJYVAPPDROM-MRXNPFEDSA-N 2 2 334.464 1.761 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ncccc2C)C1 ZINC000878159486 597583056 /nfs/dbraw/zinc/58/30/56/597583056.db2.gz YEPUJYVAPPDROM-MRXNPFEDSA-N 2 2 334.464 1.761 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000878589048 597645774 /nfs/dbraw/zinc/64/57/74/597645774.db2.gz CNSBCTMYHLNGFK-GFCCVEGCSA-N 2 2 343.422 1.835 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000878589048 597645775 /nfs/dbraw/zinc/64/57/75/597645775.db2.gz CNSBCTMYHLNGFK-GFCCVEGCSA-N 2 2 343.422 1.835 20 0 EDADLP CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878663423 597671413 /nfs/dbraw/zinc/67/14/13/597671413.db2.gz IDWMEAJOYREVBR-MJGOQNOKSA-N 2 2 347.459 1.396 20 0 EDADLP CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878663423 597671416 /nfs/dbraw/zinc/67/14/16/597671416.db2.gz IDWMEAJOYREVBR-MJGOQNOKSA-N 2 2 347.459 1.396 20 0 EDADLP CN(C)C(=O)O[C@@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000878663423 597671419 /nfs/dbraw/zinc/67/14/19/597671419.db2.gz IDWMEAJOYREVBR-MJGOQNOKSA-N 2 2 347.459 1.396 20 0 EDADLP CN(C)C(=O)O[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000878663423 597671422 /nfs/dbraw/zinc/67/14/22/597671422.db2.gz IDWMEAJOYREVBR-MJGOQNOKSA-N 2 2 347.459 1.396 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000878675357 597675662 /nfs/dbraw/zinc/67/56/62/597675662.db2.gz OQTMSIDZPGAYAH-NEPJUHHUSA-N 2 2 330.354 1.305 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000878675357 597675665 /nfs/dbraw/zinc/67/56/65/597675665.db2.gz OQTMSIDZPGAYAH-NEPJUHHUSA-N 2 2 330.354 1.305 20 0 EDADLP Cc1nc(C(C)C)ncc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000878824136 597724310 /nfs/dbraw/zinc/72/43/10/597724310.db2.gz PNKOLEBXOZCDFN-HNNXBMFYSA-N 2 2 345.491 1.807 20 0 EDADLP Cc1nc(C(C)C)ncc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000878824136 597724312 /nfs/dbraw/zinc/72/43/12/597724312.db2.gz PNKOLEBXOZCDFN-HNNXBMFYSA-N 2 2 345.491 1.807 20 0 EDADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883370791 597725613 /nfs/dbraw/zinc/72/56/13/597725613.db2.gz RVOTUDJDFZXEPC-KZNAEPCWSA-N 2 2 325.497 1.188 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000879061716 597806195 /nfs/dbraw/zinc/80/61/95/597806195.db2.gz OHNNSEADSRZCMZ-KRWDZBQOSA-N 2 2 340.508 1.619 20 0 EDADLP CN(C(=O)COC1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290740 597877469 /nfs/dbraw/zinc/87/74/69/597877469.db2.gz MQUYEKPITMSMGC-MSOLQXFVSA-N 2 2 337.508 1.961 20 0 EDADLP CN(C(=O)COC1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290740 597877472 /nfs/dbraw/zinc/87/74/72/597877472.db2.gz MQUYEKPITMSMGC-MSOLQXFVSA-N 2 2 337.508 1.961 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[NH+](CCCOC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000880415310 597926165 /nfs/dbraw/zinc/92/61/65/597926165.db2.gz IXGQLBKKPBGTJX-QZTJIDSGSA-N 2 2 341.540 1.918 20 0 EDADLP C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000029310623 597958212 /nfs/dbraw/zinc/95/82/12/597958212.db2.gz MCDXGOGYBVXZBF-MRXNPFEDSA-N 2 2 342.443 1.579 20 0 EDADLP C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000029310623 597958215 /nfs/dbraw/zinc/95/82/15/597958215.db2.gz MCDXGOGYBVXZBF-MRXNPFEDSA-N 2 2 342.443 1.579 20 0 EDADLP O=S1(=O)CCCN1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570208 597966937 /nfs/dbraw/zinc/96/69/37/597966937.db2.gz UQLWGWFYYMJKRP-MRXNPFEDSA-N 2 2 334.445 1.250 20 0 EDADLP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000884058122 597981798 /nfs/dbraw/zinc/98/17/98/597981798.db2.gz BDMDPWSRCDNYPO-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CC3CC3)C2)c1 ZINC000884469953 598113886 /nfs/dbraw/zinc/11/38/86/598113886.db2.gz AQLOPTJJLMBNCS-MSOLQXFVSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CC3CC3)C2)c1 ZINC000884469953 598113889 /nfs/dbraw/zinc/11/38/89/598113889.db2.gz AQLOPTJJLMBNCS-MSOLQXFVSA-N 2 2 331.460 1.439 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914153427 695164210 /nfs/dbraw/zinc/16/42/10/695164210.db2.gz AVVNVBHFFHLVGT-HUUCEWRRSA-N 2 2 349.504 1.763 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914153427 695164211 /nfs/dbraw/zinc/16/42/11/695164211.db2.gz AVVNVBHFFHLVGT-HUUCEWRRSA-N 2 2 349.504 1.763 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CCC[C@H]([NH2+]CCO)[C@@H]4C3)ccn12 ZINC000992695002 695216380 /nfs/dbraw/zinc/21/63/80/695216380.db2.gz SUPVFKFBSHAQCR-BBWFWOEESA-N 2 2 342.443 1.465 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914247646 695309599 /nfs/dbraw/zinc/30/95/99/695309599.db2.gz CEGQYBOUHCQZLA-HUUCEWRRSA-N 2 2 337.493 1.461 20 0 EDADLP CCCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)o1 ZINC000939855941 699994431 /nfs/dbraw/zinc/99/44/31/699994431.db2.gz IUWGQCPTOALRJF-HIFRSBDPSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939856794 699995718 /nfs/dbraw/zinc/99/57/18/699995718.db2.gz QCDGUWGKJBBQCP-MLGOLLRUSA-N 2 2 331.420 1.379 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CC)C[NH+]2CCOCC2)C1 ZINC000914338537 695370066 /nfs/dbraw/zinc/37/00/66/695370066.db2.gz YJRTZQDRUFVFEM-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](CC)C[NH+]2CCOCC2)C1 ZINC000914338537 695370068 /nfs/dbraw/zinc/37/00/68/695370068.db2.gz YJRTZQDRUFVFEM-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031050120 695383430 /nfs/dbraw/zinc/38/34/30/695383430.db2.gz BGBPJVQAHOEMOC-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031050120 695383433 /nfs/dbraw/zinc/38/34/33/695383433.db2.gz BGBPJVQAHOEMOC-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000939855254 699993136 /nfs/dbraw/zinc/99/31/36/699993136.db2.gz CDUBCCABDBECHJ-GUYCJALGSA-N 2 2 346.406 1.151 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cscn3)[C@@H]2C1 ZINC000992878858 695427338 /nfs/dbraw/zinc/42/73/38/695427338.db2.gz STLSPQOXUDKSIZ-NWANDNLSSA-N 2 2 345.472 1.826 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC001031188323 695705942 /nfs/dbraw/zinc/70/59/42/695705942.db2.gz IMKYWPYOBJGRAF-LJQANCHMSA-N 2 2 345.487 1.641 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2C[NH+](CCOc3ccccc3)C2)C1 ZINC001031257192 696064228 /nfs/dbraw/zinc/06/42/28/696064228.db2.gz LVXIMBGQOSODNN-AEFFLSMTSA-N 2 2 345.487 1.986 20 0 EDADLP COc1ncccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995152330 701549451 /nfs/dbraw/zinc/54/94/51/701549451.db2.gz KYVBSQNAVFYVPL-UKRRQHHQSA-N 2 2 343.431 1.431 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)nc2)[C@H]1C ZINC000993612702 696259018 /nfs/dbraw/zinc/25/90/18/696259018.db2.gz JLJHMXGBYHUWPB-YOEHRIQHSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)nc2)[C@H]1C ZINC000993612702 696259020 /nfs/dbraw/zinc/25/90/20/696259020.db2.gz JLJHMXGBYHUWPB-YOEHRIQHSA-N 2 2 342.447 1.459 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H]2C)on1 ZINC000993613641 696259534 /nfs/dbraw/zinc/25/95/34/696259534.db2.gz KSPYAJMKFZKHES-DZGCQCFKSA-N 2 2 347.419 1.357 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H]2C)on1 ZINC000993613641 696259536 /nfs/dbraw/zinc/25/95/36/696259536.db2.gz KSPYAJMKFZKHES-DZGCQCFKSA-N 2 2 347.419 1.357 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000916882853 696804984 /nfs/dbraw/zinc/80/49/84/696804984.db2.gz LQXDHEMSUCGPGI-UPTPFMHGSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000916882853 696804987 /nfs/dbraw/zinc/80/49/87/696804987.db2.gz LQXDHEMSUCGPGI-UPTPFMHGSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ncn2)[C@H]1C ZINC000994425263 696847172 /nfs/dbraw/zinc/84/71/72/696847172.db2.gz RRVKUUHGFKXCAZ-WMLDXEAASA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ncn2)[C@H]1C ZINC000994425263 696847175 /nfs/dbraw/zinc/84/71/75/696847175.db2.gz RRVKUUHGFKXCAZ-WMLDXEAASA-N 2 2 342.447 1.459 20 0 EDADLP COc1ccc(OC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000917008836 696871461 /nfs/dbraw/zinc/87/14/61/696871461.db2.gz BTFOAFJKUJJTAK-INIZCTEOSA-N 2 2 334.460 1.995 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001031391332 697018491 /nfs/dbraw/zinc/01/84/91/697018491.db2.gz DYCRRBNQNQXRMK-ZDUSSCGKSA-N 2 2 326.391 1.817 20 0 EDADLP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)O1 ZINC001031434094 697097174 /nfs/dbraw/zinc/09/71/74/697097174.db2.gz WDGQHYHSHRGMID-RDTXWAMCSA-N 2 2 331.460 1.730 20 0 EDADLP Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c1 ZINC001031595912 697296368 /nfs/dbraw/zinc/29/63/68/697296368.db2.gz BXTXYWJVCZVHLQ-KRWDZBQOSA-N 2 2 335.423 1.013 20 0 EDADLP Cc1ccc(F)c(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001031595912 697296369 /nfs/dbraw/zinc/29/63/69/697296369.db2.gz BXTXYWJVCZVHLQ-KRWDZBQOSA-N 2 2 335.423 1.013 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)o1 ZINC001031669828 697465464 /nfs/dbraw/zinc/46/54/64/697465464.db2.gz VRQAKRLRXIJOFV-HOTGVXAUSA-N 2 2 332.448 1.405 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)o1 ZINC001031669828 697465466 /nfs/dbraw/zinc/46/54/66/697465466.db2.gz VRQAKRLRXIJOFV-HOTGVXAUSA-N 2 2 332.448 1.405 20 0 EDADLP O=C(NCC1C[NH+](Cc2cc(F)ccc2F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675992 697488649 /nfs/dbraw/zinc/48/86/49/697488649.db2.gz ZLEWLJXUDFBMFZ-QGZVFWFLSA-N 2 2 349.425 1.855 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC000940083740 700177942 /nfs/dbraw/zinc/17/79/42/700177942.db2.gz VIBLQIGIEXVBNO-UHFFFAOYSA-N 2 2 342.447 1.612 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001031744728 698345708 /nfs/dbraw/zinc/34/57/08/698345708.db2.gz PAZHYEWSRMPZKM-ARFHVFGLSA-N 2 2 332.448 1.520 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001031744728 698345712 /nfs/dbraw/zinc/34/57/12/698345712.db2.gz PAZHYEWSRMPZKM-ARFHVFGLSA-N 2 2 332.448 1.520 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354359496 698418328 /nfs/dbraw/zinc/41/83/28/698418328.db2.gz DHECZIOPCUKSCO-RTBURBONSA-N 2 2 349.519 1.678 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354359496 698418329 /nfs/dbraw/zinc/41/83/29/698418329.db2.gz DHECZIOPCUKSCO-RTBURBONSA-N 2 2 349.519 1.678 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000354359496 698418330 /nfs/dbraw/zinc/41/83/30/698418330.db2.gz DHECZIOPCUKSCO-RTBURBONSA-N 2 2 349.519 1.678 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000354359496 698418331 /nfs/dbraw/zinc/41/83/31/698418331.db2.gz DHECZIOPCUKSCO-RTBURBONSA-N 2 2 349.519 1.678 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)[NH+](C)C ZINC000938917041 698950930 /nfs/dbraw/zinc/95/09/30/698950930.db2.gz DAGFXINNTFNUHK-KBPBESRZSA-N 2 2 349.479 1.087 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC000995153359 701558612 /nfs/dbraw/zinc/55/86/12/701558612.db2.gz PFFAGOHRHNLPSX-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC000941499738 701560859 /nfs/dbraw/zinc/56/08/59/701560859.db2.gz BDIPJDGVSJSYPU-MRXNPFEDSA-N 2 2 347.507 1.227 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031767193 699070224 /nfs/dbraw/zinc/07/02/24/699070224.db2.gz UBRNQFRHPJKDMK-MSOLQXFVSA-N 2 2 346.450 1.786 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031767193 699070228 /nfs/dbraw/zinc/07/02/28/699070228.db2.gz UBRNQFRHPJKDMK-MSOLQXFVSA-N 2 2 346.450 1.786 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995157765 701564981 /nfs/dbraw/zinc/56/49/81/701564981.db2.gz ZUIYFHXOWVEKLR-ZBFHGGJFSA-N 2 2 327.432 1.730 20 0 EDADLP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)O1 ZINC001031773732 699132075 /nfs/dbraw/zinc/13/20/75/699132075.db2.gz ZGACXIHMVNRHBB-SWLSCSKDSA-N 2 2 328.416 1.792 20 0 EDADLP Cc1ccncc1C[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001031799689 699328990 /nfs/dbraw/zinc/32/89/90/699328990.db2.gz KNAJZJIUWRBPDF-UHFFFAOYSA-N 2 2 343.431 1.301 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)o1 ZINC000939210038 699357419 /nfs/dbraw/zinc/35/74/19/699357419.db2.gz LEGKXRUHIPTGMO-SMDDNHRTSA-N 2 2 331.420 1.448 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939236353 699405103 /nfs/dbraw/zinc/40/51/03/699405103.db2.gz PEOMOAXHPWDLRT-CZUORRHYSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C)[nH]1 ZINC000939237028 699406460 /nfs/dbraw/zinc/40/64/60/699406460.db2.gz UCZIBKMMGHPYRV-OCCSQVGLSA-N 2 2 345.451 1.070 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)cn1 ZINC001031806962 699414011 /nfs/dbraw/zinc/41/40/11/699414011.db2.gz WNNCICSBFBUCIL-GOSISDBHSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)cn1 ZINC001031806962 699414014 /nfs/dbraw/zinc/41/40/14/699414014.db2.gz WNNCICSBFBUCIL-GOSISDBHSA-N 2 2 345.491 1.453 20 0 EDADLP O=C(NCC1C[NH+](CCC(F)(F)F)C1)c1ccn2c[nH+]cc2c1 ZINC001031816857 699517960 /nfs/dbraw/zinc/51/79/60/699517960.db2.gz JWCRLVRWUNZISK-UHFFFAOYSA-N 2 2 326.322 1.948 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000939407277 699561871 /nfs/dbraw/zinc/56/18/71/699561871.db2.gz BCDFAGRWIZLLLA-GDBMZVCRSA-N 2 2 341.459 1.655 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000939408791 699563230 /nfs/dbraw/zinc/56/32/30/699563230.db2.gz QUQYUBAPHBNRSI-NHYWBVRUSA-N 2 2 334.370 1.867 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000939412967 699566244 /nfs/dbraw/zinc/56/62/44/699566244.db2.gz IEWCCIJIYAWDBI-FZMZJTMJSA-N 2 2 334.370 1.867 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000939414051 699567136 /nfs/dbraw/zinc/56/71/36/699567136.db2.gz UQRSQXOOMRGTIE-MLGOLLRUSA-N 2 2 348.397 1.910 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cs1 ZINC000939414035 699567168 /nfs/dbraw/zinc/56/71/68/699567168.db2.gz UMTGVLLQJFVKJH-RISCZKNCSA-N 2 2 333.461 1.396 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1[NH2+]CC1CC1 ZINC000939528005 699666583 /nfs/dbraw/zinc/66/65/83/699666583.db2.gz GLKLVHKCTNSMTP-DYVFJYSZSA-N 2 2 325.416 1.727 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939533826 699672018 /nfs/dbraw/zinc/67/20/18/699672018.db2.gz FRNQHYCDQZPBQH-YVEFUNNKSA-N 2 2 348.397 1.878 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000939623726 699761212 /nfs/dbraw/zinc/76/12/12/699761212.db2.gz VDSWXEKBIORNSN-BDJLRTHQSA-N 2 2 331.395 1.431 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)ccn1 ZINC000939623688 699761310 /nfs/dbraw/zinc/76/13/10/699761310.db2.gz UKRXZYCYSJFHRU-MLGOLLRUSA-N 2 2 343.431 1.301 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)c(C)s1 ZINC000939626149 699763971 /nfs/dbraw/zinc/76/39/71/699763971.db2.gz HRZNRRPDGUFZKZ-MGPLVRAMSA-N 2 2 347.488 1.971 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccns1 ZINC000939642373 699771883 /nfs/dbraw/zinc/77/18/83/699771883.db2.gz JRYMUYFZTLCQTC-SWLSCSKDSA-N 2 2 333.461 1.446 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939643187 699783418 /nfs/dbraw/zinc/78/34/18/699783418.db2.gz PWMHDUVJMHTBST-IUODEOHRSA-N 2 2 331.420 1.286 20 0 EDADLP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000940150582 700300429 /nfs/dbraw/zinc/30/04/29/700300429.db2.gz YFWRVBFLTNRQKK-AWEZNQCLSA-N 2 2 344.419 1.314 20 0 EDADLP Cc1ccnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC000995167528 701637747 /nfs/dbraw/zinc/63/77/47/701637747.db2.gz JUEXEVCOEZGEIL-HUUCEWRRSA-N 2 2 342.447 1.136 20 0 EDADLP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000940356768 700518378 /nfs/dbraw/zinc/51/83/78/700518378.db2.gz XSQKBPAVBMUBBQ-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP Cc1nc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)oc1C ZINC000940426136 700619653 /nfs/dbraw/zinc/61/96/53/700619653.db2.gz GUQJQRNFANEWAX-UHFFFAOYSA-N 2 2 345.447 1.738 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940621377 700782411 /nfs/dbraw/zinc/78/24/11/700782411.db2.gz RNYZZKWQNTYHNF-CVEARBPZSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940621377 700782413 /nfs/dbraw/zinc/78/24/13/700782413.db2.gz RNYZZKWQNTYHNF-CVEARBPZSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940621377 700782414 /nfs/dbraw/zinc/78/24/14/700782414.db2.gz RNYZZKWQNTYHNF-CVEARBPZSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940621377 700782416 /nfs/dbraw/zinc/78/24/16/700782416.db2.gz RNYZZKWQNTYHNF-CVEARBPZSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)o1 ZINC000995104901 700917728 /nfs/dbraw/zinc/91/77/28/700917728.db2.gz DLCHSXGFXATXFF-KBPBESRZSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)C2 ZINC000940846570 700941467 /nfs/dbraw/zinc/94/14/67/700941467.db2.gz BVTVXVXTABRHFW-YOEHRIQHSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)C2 ZINC000940846570 700941468 /nfs/dbraw/zinc/94/14/68/700941468.db2.gz BVTVXVXTABRHFW-YOEHRIQHSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)CC2 ZINC000940846570 700941469 /nfs/dbraw/zinc/94/14/69/700941469.db2.gz BVTVXVXTABRHFW-YOEHRIQHSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)CC2 ZINC000940846570 700941470 /nfs/dbraw/zinc/94/14/70/700941470.db2.gz BVTVXVXTABRHFW-YOEHRIQHSA-N 2 2 348.491 1.422 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cc(C)ncn3)C2)C1 ZINC001031918788 701037218 /nfs/dbraw/zinc/03/72/18/701037218.db2.gz HKSSIMDQYIYEDJ-KRWDZBQOSA-N 2 2 345.491 1.455 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cc(C)ncn3)C2)C1 ZINC001031918788 701037219 /nfs/dbraw/zinc/03/72/19/701037219.db2.gz HKSSIMDQYIYEDJ-KRWDZBQOSA-N 2 2 345.491 1.455 20 0 EDADLP CCc1nocc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995120266 701139595 /nfs/dbraw/zinc/13/95/95/701139595.db2.gz ZYPOBBDPKIBRRU-GXTWGEPZSA-N 2 2 331.420 1.577 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)c(C)n1 ZINC000945806303 701196333 /nfs/dbraw/zinc/19/63/33/701196333.db2.gz BWMURLRHIXRYFJ-KDOFPFPSSA-N 2 2 341.459 1.922 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806532 701196604 /nfs/dbraw/zinc/19/66/04/701196604.db2.gz DWZGMFBLYSKWQO-HOCLYGCPSA-N 2 2 343.431 1.314 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806532 701196606 /nfs/dbraw/zinc/19/66/06/701196606.db2.gz DWZGMFBLYSKWQO-HOCLYGCPSA-N 2 2 343.431 1.314 20 0 EDADLP C[C@@H]1C[N@H+](CCCC2CCOCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808032 701199184 /nfs/dbraw/zinc/19/91/84/701199184.db2.gz NECVNBRXRAQZAI-SJLPKXTDSA-N 2 2 348.491 1.917 20 0 EDADLP C[C@@H]1C[N@@H+](CCCC2CCOCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808032 701199185 /nfs/dbraw/zinc/19/91/85/701199185.db2.gz NECVNBRXRAQZAI-SJLPKXTDSA-N 2 2 348.491 1.917 20 0 EDADLP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941129592 701206495 /nfs/dbraw/zinc/20/64/95/701206495.db2.gz IMNUDHNWYLAUOB-OAHLLOKOSA-N 2 2 344.463 1.145 20 0 EDADLP Cn1nccc1CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941129592 701206499 /nfs/dbraw/zinc/20/64/99/701206499.db2.gz IMNUDHNWYLAUOB-OAHLLOKOSA-N 2 2 344.463 1.145 20 0 EDADLP CCOC1CC(C[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)C1 ZINC000941129937 701207148 /nfs/dbraw/zinc/20/71/48/701207148.db2.gz NOYARNGMGHELHW-GPANFISMSA-N 2 2 348.491 1.984 20 0 EDADLP CCOC1CC(C[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)C1 ZINC000941129937 701207149 /nfs/dbraw/zinc/20/71/49/701207149.db2.gz NOYARNGMGHELHW-GPANFISMSA-N 2 2 348.491 1.984 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC000941167028 701378133 /nfs/dbraw/zinc/37/81/33/701378133.db2.gz PBOAJRMYCSZOBQ-DLBZAZTESA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC1(C)C ZINC000941167028 701378134 /nfs/dbraw/zinc/37/81/34/701378134.db2.gz PBOAJRMYCSZOBQ-DLBZAZTESA-N 2 2 348.491 1.748 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215318 701401658 /nfs/dbraw/zinc/40/16/58/701401658.db2.gz PZEGGZADJXAUNG-INIZCTEOSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215318 701401660 /nfs/dbraw/zinc/40/16/60/701401660.db2.gz PZEGGZADJXAUNG-INIZCTEOSA-N 2 2 334.464 1.796 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000995735722 701847624 /nfs/dbraw/zinc/84/76/24/701847624.db2.gz OBSJMARHILHMRP-HNNXBMFYSA-N 2 2 345.422 1.903 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995736297 701860244 /nfs/dbraw/zinc/86/02/44/701860244.db2.gz OVWHJMBZMGNSFO-CQSZACIVSA-N 2 2 331.420 1.666 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1C[NH+](Cc3ccccn3)C1)C2 ZINC001031974907 701905378 /nfs/dbraw/zinc/90/53/78/701905378.db2.gz LIYOZGWTNFWXPB-INIZCTEOSA-N 2 2 339.443 1.397 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC000995179568 701906761 /nfs/dbraw/zinc/90/67/61/701906761.db2.gz BUNHQGJRUFZLKY-ZIAGYGMSSA-N 2 2 330.436 1.069 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995746706 701971654 /nfs/dbraw/zinc/97/16/54/701971654.db2.gz NNRWHRGKCQMLDU-ZDUSSCGKSA-N 2 2 348.476 1.529 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnoc2C)C[C@@H]1C ZINC000944447112 702038311 /nfs/dbraw/zinc/03/83/11/702038311.db2.gz XPRJKJVEFNNLBX-XHDPSFHLSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cnoc2C)C[C@@H]1C ZINC000944447112 702038316 /nfs/dbraw/zinc/03/83/16/702038316.db2.gz XPRJKJVEFNNLBX-XHDPSFHLSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995188413 702215843 /nfs/dbraw/zinc/21/58/43/702215843.db2.gz WCCJEOFKNSMLCK-CHWSQXEVSA-N 2 2 348.476 1.495 20 0 EDADLP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944099162 702268601 /nfs/dbraw/zinc/26/86/01/702268601.db2.gz OZNSBTOYXKSPOI-MAUKXSAKSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944099162 702268604 /nfs/dbraw/zinc/26/86/04/702268604.db2.gz OZNSBTOYXKSPOI-MAUKXSAKSA-N 2 2 341.459 1.693 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnsn3)C2)CC[N@@H+]1C ZINC000999211204 706663885 /nfs/dbraw/zinc/66/38/85/706663885.db2.gz XOAQNPVTPUGWIU-VHDGCEQUSA-N 2 2 337.493 1.349 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnsn3)C2)CC[N@H+]1C ZINC000999211204 706663888 /nfs/dbraw/zinc/66/38/88/706663888.db2.gz XOAQNPVTPUGWIU-VHDGCEQUSA-N 2 2 337.493 1.349 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)n1 ZINC000996056873 702455136 /nfs/dbraw/zinc/45/51/36/702455136.db2.gz HHUXSNSTAZIUKU-ZDUSSCGKSA-N 2 2 346.435 1.164 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC000996074164 702463616 /nfs/dbraw/zinc/46/36/16/702463616.db2.gz KUJNRSUNYRPGIV-HNNXBMFYSA-N 2 2 345.447 1.676 20 0 EDADLP CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH2+]CCO ZINC000996090314 702500493 /nfs/dbraw/zinc/50/04/93/702500493.db2.gz HGVMBENUXRXNJI-MRXNPFEDSA-N 2 2 328.416 1.305 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942173688 702684421 /nfs/dbraw/zinc/68/44/21/702684421.db2.gz QZXOGCHZADSVNV-RDJZCZTQSA-N 2 2 346.475 1.877 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942173688 702684422 /nfs/dbraw/zinc/68/44/22/702684422.db2.gz QZXOGCHZADSVNV-RDJZCZTQSA-N 2 2 346.475 1.877 20 0 EDADLP C[C@H](CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1)n1cc[nH+]c1 ZINC000996359729 702735554 /nfs/dbraw/zinc/73/55/54/702735554.db2.gz FHPUXYBUSVZYNL-GDBMZVCRSA-N 2 2 344.463 1.595 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996512131 702831444 /nfs/dbraw/zinc/83/14/44/702831444.db2.gz AWLJSHYASHNSJH-MRXNPFEDSA-N 2 2 348.491 1.941 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996512127 702831500 /nfs/dbraw/zinc/83/15/00/702831500.db2.gz AWFWPTRGHXORQA-OAHLLOKOSA-N 2 2 344.463 1.206 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)o1 ZINC000996515904 702851252 /nfs/dbraw/zinc/85/12/52/702851252.db2.gz VWPQCGYYWXEVQX-MRXNPFEDSA-N 2 2 345.447 1.594 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]CC[C@H]2CCOC2)C(C)(C)C1 ZINC000996515941 702851462 /nfs/dbraw/zinc/85/14/62/702851462.db2.gz WPCFGJWUJJRRIN-HOCLYGCPSA-N 2 2 334.464 1.216 20 0 EDADLP Cc1ccnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995242195 702913050 /nfs/dbraw/zinc/91/30/50/702913050.db2.gz GJUBUZMKNFKONK-CABCVRRESA-N 2 2 328.420 1.056 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996610321 702915473 /nfs/dbraw/zinc/91/54/73/702915473.db2.gz IFRDUDPFKKPVSI-ZIAGYGMSSA-N 2 2 349.479 1.615 20 0 EDADLP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)c1csnn1 ZINC000996612498 702917748 /nfs/dbraw/zinc/91/77/48/702917748.db2.gz RDXBUOSNFXVDEI-GXTWGEPZSA-N 2 2 337.493 1.522 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996613517 702918827 /nfs/dbraw/zinc/91/88/27/702918827.db2.gz VBAMEVWMUJYUBA-CYBMUJFWSA-N 2 2 335.452 1.054 20 0 EDADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)n1 ZINC000996609400 702920347 /nfs/dbraw/zinc/92/03/47/702920347.db2.gz GKVDPSJCAVUNFR-MRXNPFEDSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995253052 702972384 /nfs/dbraw/zinc/97/23/84/702972384.db2.gz SIBDFHGLEVSSBH-GJZGRUSLSA-N 2 2 330.436 1.174 20 0 EDADLP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996718240 703012236 /nfs/dbraw/zinc/01/22/36/703012236.db2.gz WKPRRQROHMICTA-INIZCTEOSA-N 2 2 327.432 1.613 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)on1 ZINC000942518134 703012611 /nfs/dbraw/zinc/01/26/11/703012611.db2.gz NALDQWKGAYTKQW-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)on1 ZINC000942518134 703012614 /nfs/dbraw/zinc/01/26/14/703012614.db2.gz NALDQWKGAYTKQW-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518163 703012747 /nfs/dbraw/zinc/01/27/47/703012747.db2.gz NHSFJKWJCKWUBM-WBMJQRKESA-N 2 2 340.387 1.358 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518163 703012750 /nfs/dbraw/zinc/01/27/50/703012750.db2.gz NHSFJKWJCKWUBM-WBMJQRKESA-N 2 2 340.387 1.358 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996731145 703028415 /nfs/dbraw/zinc/02/84/15/703028415.db2.gz RFPWVMGQVVRDAF-ZDUSSCGKSA-N 2 2 328.416 1.794 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996734975 703031600 /nfs/dbraw/zinc/03/16/00/703031600.db2.gz YHADLGGQLITJMG-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555146 703068139 /nfs/dbraw/zinc/06/81/39/703068139.db2.gz FDPYCVWCOZNKKB-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnn(C)n2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555146 703068141 /nfs/dbraw/zinc/06/81/41/703068141.db2.gz FDPYCVWCOZNKKB-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996843579 703130181 /nfs/dbraw/zinc/13/01/81/703130181.db2.gz FXQDCUNPGQJDTG-KGLIPLIRSA-N 2 2 344.381 1.910 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996988438 703245723 /nfs/dbraw/zinc/24/57/23/703245723.db2.gz IZIQWTHTLRCEBP-HNNXBMFYSA-N 2 2 342.447 1.307 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000997021587 703282953 /nfs/dbraw/zinc/28/29/53/703282953.db2.gz IBDNPFTVJUWFPR-CHWSQXEVSA-N 2 2 346.460 1.156 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)co1 ZINC000997046550 703295386 /nfs/dbraw/zinc/29/53/86/703295386.db2.gz QEXOMCQORLCJFP-ZDUSSCGKSA-N 2 2 331.420 1.911 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)nn1C ZINC000997046955 703295682 /nfs/dbraw/zinc/29/56/82/703295682.db2.gz RRVQPVADOYBGGM-HNNXBMFYSA-N 2 2 344.463 1.657 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1)n1cc[nH+]c1 ZINC000997047417 703301129 /nfs/dbraw/zinc/30/11/29/703301129.db2.gz WXTICMWUHFUUQW-CQSZACIVSA-N 2 2 330.436 1.349 20 0 EDADLP CCn1cc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001032379541 703354337 /nfs/dbraw/zinc/35/43/37/703354337.db2.gz VHUBOESAUDHXLK-HOTGVXAUSA-N 2 2 342.447 1.087 20 0 EDADLP CCn1cc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001032379541 703354339 /nfs/dbraw/zinc/35/43/39/703354339.db2.gz VHUBOESAUDHXLK-HOTGVXAUSA-N 2 2 342.447 1.087 20 0 EDADLP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)o1 ZINC000997117383 703374361 /nfs/dbraw/zinc/37/43/61/703374361.db2.gz GCKXHKIORGFZLE-UHFFFAOYSA-N 2 2 331.420 1.592 20 0 EDADLP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)n1 ZINC000997184268 703472967 /nfs/dbraw/zinc/47/29/67/703472967.db2.gz VKDFYDJVRMXGPB-NSHDSACASA-N 2 2 346.435 1.721 20 0 EDADLP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2)OC ZINC001032414546 703474670 /nfs/dbraw/zinc/47/46/70/703474670.db2.gz CZQAYPQVKYBDIR-ULQDDVLXSA-N 2 2 346.475 1.472 20 0 EDADLP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2)OC ZINC001032414546 703474673 /nfs/dbraw/zinc/47/46/73/703474673.db2.gz CZQAYPQVKYBDIR-ULQDDVLXSA-N 2 2 346.475 1.472 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)[nH]1 ZINC000997222603 703500298 /nfs/dbraw/zinc/50/02/98/703500298.db2.gz SBHZFJLDVCBZLD-NSHDSACASA-N 2 2 331.424 1.029 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCOC2)c[nH+]1 ZINC001032469245 703676101 /nfs/dbraw/zinc/67/61/01/703676101.db2.gz CNBVJCYMQLJWBT-JYJNAYRXSA-N 2 2 332.448 1.248 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCOC2)c[nH+]1 ZINC001032469245 703676103 /nfs/dbraw/zinc/67/61/03/703676103.db2.gz CNBVJCYMQLJWBT-JYJNAYRXSA-N 2 2 332.448 1.248 20 0 EDADLP Cc1ncoc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032471659 703687119 /nfs/dbraw/zinc/68/71/19/703687119.db2.gz CTZZQBVUZCBLBF-HOTGVXAUSA-N 2 2 344.459 1.644 20 0 EDADLP Cc1ncoc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032471659 703687120 /nfs/dbraw/zinc/68/71/20/703687120.db2.gz CTZZQBVUZCBLBF-HOTGVXAUSA-N 2 2 344.459 1.644 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001032474693 703693724 /nfs/dbraw/zinc/69/37/24/703693724.db2.gz INMUNMCSYXYZSK-GBESFXJTSA-N 2 2 343.471 1.842 20 0 EDADLP CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475119 703695210 /nfs/dbraw/zinc/69/52/10/703695210.db2.gz FLLILOMAZFPZGW-PMPSAXMXSA-N 2 2 341.471 1.378 20 0 EDADLP CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475119 703695211 /nfs/dbraw/zinc/69/52/11/703695211.db2.gz FLLILOMAZFPZGW-PMPSAXMXSA-N 2 2 341.471 1.378 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032485291 703740228 /nfs/dbraw/zinc/74/02/28/703740228.db2.gz JKFHELFTEPDEBN-SZMVWBNQSA-N 2 2 344.459 1.157 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032485291 703740230 /nfs/dbraw/zinc/74/02/30/703740230.db2.gz JKFHELFTEPDEBN-SZMVWBNQSA-N 2 2 344.459 1.157 20 0 EDADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCC(F)(F)F ZINC000947928628 703812130 /nfs/dbraw/zinc/81/21/30/703812130.db2.gz DYRDKYBUYRSKIV-NWDGAFQWSA-N 2 2 332.370 1.884 20 0 EDADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCC(F)(F)F ZINC000947928628 703812133 /nfs/dbraw/zinc/81/21/33/703812133.db2.gz DYRDKYBUYRSKIV-NWDGAFQWSA-N 2 2 332.370 1.884 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC([NH2+]CCF)C1 ZINC000999286599 706779651 /nfs/dbraw/zinc/77/96/51/706779651.db2.gz BZDPAXHMMUSCFM-AVVWSFFYSA-N 2 2 327.444 1.178 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC([NH2+]CCF)C1 ZINC000999286599 706779653 /nfs/dbraw/zinc/77/96/53/706779653.db2.gz BZDPAXHMMUSCFM-AVVWSFFYSA-N 2 2 327.444 1.178 20 0 EDADLP CC(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000999286622 706780098 /nfs/dbraw/zinc/78/00/98/706780098.db2.gz CLKJIYYXGOPURO-VJFUWPCTSA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000999286622 706780100 /nfs/dbraw/zinc/78/01/00/706780100.db2.gz CLKJIYYXGOPURO-VJFUWPCTSA-N 2 2 337.508 1.865 20 0 EDADLP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033079550 704131770 /nfs/dbraw/zinc/13/17/70/704131770.db2.gz ZMTWNLHOMATZAR-ZBFHGGJFSA-N 2 2 330.432 1.824 20 0 EDADLP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033079550 704131771 /nfs/dbraw/zinc/13/17/71/704131771.db2.gz ZMTWNLHOMATZAR-ZBFHGGJFSA-N 2 2 330.432 1.824 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082172 704138001 /nfs/dbraw/zinc/13/80/01/704138001.db2.gz OTPUCMLSTRFPGP-HOTGVXAUSA-N 2 2 332.448 1.358 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082172 704138002 /nfs/dbraw/zinc/13/80/02/704138002.db2.gz OTPUCMLSTRFPGP-HOTGVXAUSA-N 2 2 332.448 1.358 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC001061472411 704218364 /nfs/dbraw/zinc/21/83/64/704218364.db2.gz YLDKPKXYYRIMFI-HYVNUMGLSA-N 2 2 345.491 1.827 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC001061472411 704218366 /nfs/dbraw/zinc/21/83/66/704218366.db2.gz YLDKPKXYYRIMFI-HYVNUMGLSA-N 2 2 345.491 1.827 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4C[N@@H+](CCO)C[C@H]4CC3)ccn12 ZINC000946592274 704242370 /nfs/dbraw/zinc/24/23/70/704242370.db2.gz FYPJPAWYACHQDZ-CALCHBBNSA-N 2 2 342.443 1.419 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]4C[N@H+](CCO)C[C@H]4CC3)ccn12 ZINC000946592274 704242371 /nfs/dbraw/zinc/24/23/71/704242371.db2.gz FYPJPAWYACHQDZ-CALCHBBNSA-N 2 2 342.443 1.419 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999314775 706815998 /nfs/dbraw/zinc/81/59/98/706815998.db2.gz FYIJAOFXLHJROL-INIZCTEOSA-N 2 2 331.395 1.657 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999314775 706815999 /nfs/dbraw/zinc/81/59/99/706815999.db2.gz FYIJAOFXLHJROL-INIZCTEOSA-N 2 2 331.395 1.657 20 0 EDADLP C[C@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)O1 ZINC000997732079 704623350 /nfs/dbraw/zinc/62/33/50/704623350.db2.gz BNFUJCXDMLCMMB-GOEBONIOSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000997816724 704738348 /nfs/dbraw/zinc/73/83/48/704738348.db2.gz KRAGTEHWGDGMDU-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000997816724 704738351 /nfs/dbraw/zinc/73/83/51/704738351.db2.gz KRAGTEHWGDGMDU-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997873330 704778699 /nfs/dbraw/zinc/77/86/99/704778699.db2.gz PHFRACYJZMUINL-OAHLLOKOSA-N 2 2 343.431 1.462 20 0 EDADLP CC(C)c1noc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944942981 704795590 /nfs/dbraw/zinc/79/55/90/704795590.db2.gz DWGDXSWKEVHXGL-GJZGRUSLSA-N 2 2 349.479 1.615 20 0 EDADLP CC(C)c1noc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944942981 704795592 /nfs/dbraw/zinc/79/55/92/704795592.db2.gz DWGDXSWKEVHXGL-GJZGRUSLSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)C[C@H]1C ZINC000944946656 704799755 /nfs/dbraw/zinc/79/97/55/704799755.db2.gz YCLKRHJXRIPISD-IUODEOHRSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cscn2)C[C@H]1C ZINC000944946656 704799757 /nfs/dbraw/zinc/79/97/57/704799757.db2.gz YCLKRHJXRIPISD-IUODEOHRSA-N 2 2 333.461 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2nc(C)no2)CC1 ZINC000997948692 705067118 /nfs/dbraw/zinc/06/71/18/705067118.db2.gz JOKIKOZRHHGQOX-JKSUJKDBSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2nc(C)no2)CC1 ZINC000997948692 705067123 /nfs/dbraw/zinc/06/71/23/705067123.db2.gz JOKIKOZRHHGQOX-JKSUJKDBSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2nc(C)no2)CC1 ZINC000997948692 705067126 /nfs/dbraw/zinc/06/71/26/705067126.db2.gz JOKIKOZRHHGQOX-JKSUJKDBSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2nc(C)no2)CC1 ZINC000997948692 705067131 /nfs/dbraw/zinc/06/71/31/705067131.db2.gz JOKIKOZRHHGQOX-JKSUJKDBSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000997951521 705070258 /nfs/dbraw/zinc/07/02/58/705070258.db2.gz YJJASLIMSAAKOJ-HOTGVXAUSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000997951521 705070262 /nfs/dbraw/zinc/07/02/62/705070262.db2.gz YJJASLIMSAAKOJ-HOTGVXAUSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000997951521 705070267 /nfs/dbraw/zinc/07/02/67/705070267.db2.gz YJJASLIMSAAKOJ-HOTGVXAUSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000997951521 705070271 /nfs/dbraw/zinc/07/02/71/705070271.db2.gz YJJASLIMSAAKOJ-HOTGVXAUSA-N 2 2 335.452 1.367 20 0 EDADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001032585877 705073862 /nfs/dbraw/zinc/07/38/62/705073862.db2.gz XZBPUPOFHMKQGX-OKZBNKHCSA-N 2 2 335.492 1.715 20 0 EDADLP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001032585877 705073866 /nfs/dbraw/zinc/07/38/66/705073866.db2.gz XZBPUPOFHMKQGX-OKZBNKHCSA-N 2 2 335.492 1.715 20 0 EDADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001032585877 705073873 /nfs/dbraw/zinc/07/38/73/705073873.db2.gz XZBPUPOFHMKQGX-OKZBNKHCSA-N 2 2 335.492 1.715 20 0 EDADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001032585877 705073879 /nfs/dbraw/zinc/07/38/79/705073879.db2.gz XZBPUPOFHMKQGX-OKZBNKHCSA-N 2 2 335.492 1.715 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998052957 705256513 /nfs/dbraw/zinc/25/65/13/705256513.db2.gz RDTLBTPODFTTIG-HZPDHXFCSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998052957 705256516 /nfs/dbraw/zinc/25/65/16/705256516.db2.gz RDTLBTPODFTTIG-HZPDHXFCSA-N 2 2 334.464 1.141 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998138768 705404967 /nfs/dbraw/zinc/40/49/67/705404967.db2.gz KPUHWBRZKWDZDH-AWEZNQCLSA-N 2 2 344.463 1.350 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998138768 705404970 /nfs/dbraw/zinc/40/49/70/705404970.db2.gz KPUHWBRZKWDZDH-AWEZNQCLSA-N 2 2 344.463 1.350 20 0 EDADLP COc1ccc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000998296331 705698694 /nfs/dbraw/zinc/69/86/94/705698694.db2.gz FJIXZUDTDULVCK-UHFFFAOYSA-N 2 2 342.443 1.920 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000998297553 705700267 /nfs/dbraw/zinc/70/02/67/705700267.db2.gz LDXPRUHUULBWRL-UHFFFAOYSA-N 2 2 347.850 1.960 20 0 EDADLP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001032627247 705735424 /nfs/dbraw/zinc/73/54/24/705735424.db2.gz TUVZFRBSNXIEMC-NJAFHUGGSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001032627247 705735425 /nfs/dbraw/zinc/73/54/25/705735425.db2.gz TUVZFRBSNXIEMC-NJAFHUGGSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032627247 705735428 /nfs/dbraw/zinc/73/54/28/705735428.db2.gz TUVZFRBSNXIEMC-NJAFHUGGSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032627247 705735430 /nfs/dbraw/zinc/73/54/30/705735430.db2.gz TUVZFRBSNXIEMC-NJAFHUGGSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)no1 ZINC000998900540 706320121 /nfs/dbraw/zinc/32/01/21/706320121.db2.gz FNRAVOPNPWXORL-BCLQGDPASA-N 2 2 343.431 1.836 20 0 EDADLP CC[C@@H]([NH2+]C1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1)C(N)=O ZINC000998988359 706420249 /nfs/dbraw/zinc/42/02/49/706420249.db2.gz HJFNEJWMGRZMSN-WXRRBKDZSA-N 2 2 329.404 1.019 20 0 EDADLP Cc1nc(CC[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)cs1 ZINC000999045436 706486852 /nfs/dbraw/zinc/48/68/52/706486852.db2.gz PKTLCKIASZSSFV-CQSZACIVSA-N 2 2 347.488 1.931 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999348744 706860536 /nfs/dbraw/zinc/86/05/36/706860536.db2.gz PGFLKXLCMFHETR-AWEZNQCLSA-N 2 2 349.479 1.587 20 0 EDADLP Cn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999373506 706868045 /nfs/dbraw/zinc/86/80/45/706868045.db2.gz QMBGGIFJGYWWTD-HUUCEWRRSA-N 2 2 342.447 1.275 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999369763 706883408 /nfs/dbraw/zinc/88/34/08/706883408.db2.gz KKHLXPUSZCABBT-ZBFHGGJFSA-N 2 2 349.479 1.614 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000999401684 706909873 /nfs/dbraw/zinc/90/98/73/706909873.db2.gz PRYGTTDGCQRGJU-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC000999401684 706909875 /nfs/dbraw/zinc/90/98/75/706909875.db2.gz PRYGTTDGCQRGJU-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1)[NH+](C)C ZINC000999424120 706930080 /nfs/dbraw/zinc/93/00/80/706930080.db2.gz PRNNNFYHGCSSGA-JSGCOSHPSA-N 2 2 325.482 1.205 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1)[NH+](C)C ZINC000999431775 706939330 /nfs/dbraw/zinc/93/93/30/706939330.db2.gz DYEMJBSNLDVTGK-ZBFHGGJFSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001060879539 706985560 /nfs/dbraw/zinc/98/55/60/706985560.db2.gz HQQIHQFYHITUFP-GDBMZVCRSA-N 2 2 343.475 1.875 20 0 EDADLP Cc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001060879539 706985562 /nfs/dbraw/zinc/98/55/62/706985562.db2.gz HQQIHQFYHITUFP-GDBMZVCRSA-N 2 2 343.475 1.875 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000999606641 707119887 /nfs/dbraw/zinc/11/98/87/707119887.db2.gz CGEXNLWOWKTNMR-SEEARECTSA-N 2 2 346.406 1.404 20 0 EDADLP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)cn1 ZINC000999700685 707230834 /nfs/dbraw/zinc/23/08/34/707230834.db2.gz XUALQTNUWFSLAU-UHFFFAOYSA-N 2 2 342.447 1.565 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000999686969 707240076 /nfs/dbraw/zinc/24/00/76/707240076.db2.gz CHNRCEUEUUSPIT-UHFFFAOYSA-N 2 2 344.434 1.923 20 0 EDADLP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000999688303 707241782 /nfs/dbraw/zinc/24/17/82/707241782.db2.gz KHOZQUHXLDGOQF-UHFFFAOYSA-N 2 2 345.447 1.601 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999713593 707251182 /nfs/dbraw/zinc/25/11/82/707251182.db2.gz LIOUZUYTDGLGLZ-CABCVRRESA-N 2 2 331.420 1.830 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999714946 707252567 /nfs/dbraw/zinc/25/25/67/707252567.db2.gz RBRCXULQRPMDKC-AWEZNQCLSA-N 2 2 344.419 1.233 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000999776894 707336862 /nfs/dbraw/zinc/33/68/62/707336862.db2.gz PSMJAZYCZTWIQW-JKSUJKDBSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC000999754083 707355659 /nfs/dbraw/zinc/35/56/59/707355659.db2.gz PYJZTQYBJALESD-NRXISQOPSA-N 2 2 334.464 1.655 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033364400 707656552 /nfs/dbraw/zinc/65/65/52/707656552.db2.gz FFAXZXLMDHRYHE-DLBZAZTESA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033364400 707656556 /nfs/dbraw/zinc/65/65/56/707656556.db2.gz FFAXZXLMDHRYHE-DLBZAZTESA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](CCCF)C1 ZINC001033364400 707656559 /nfs/dbraw/zinc/65/65/59/707656559.db2.gz FFAXZXLMDHRYHE-DLBZAZTESA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](CCCF)C1 ZINC001033364400 707656562 /nfs/dbraw/zinc/65/65/62/707656562.db2.gz FFAXZXLMDHRYHE-DLBZAZTESA-N 2 2 341.471 1.522 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033416856 707797503 /nfs/dbraw/zinc/79/75/03/707797503.db2.gz SAYCWQOKHGRTAE-YOEHRIQHSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033416856 707797508 /nfs/dbraw/zinc/79/75/08/707797508.db2.gz SAYCWQOKHGRTAE-YOEHRIQHSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033416856 707797513 /nfs/dbraw/zinc/79/75/13/707797513.db2.gz SAYCWQOKHGRTAE-YOEHRIQHSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033416856 707797519 /nfs/dbraw/zinc/79/75/19/707797519.db2.gz SAYCWQOKHGRTAE-YOEHRIQHSA-N 2 2 334.439 1.738 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1 ZINC001032753705 707824533 /nfs/dbraw/zinc/82/45/33/707824533.db2.gz JIODVRFJEQRSNU-HRCADAONSA-N 2 2 332.448 1.505 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCCO1 ZINC001032753705 707824537 /nfs/dbraw/zinc/82/45/37/707824537.db2.gz JIODVRFJEQRSNU-HRCADAONSA-N 2 2 332.448 1.505 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426447 707848426 /nfs/dbraw/zinc/84/84/26/707848426.db2.gz QTZKUFWRODLIHX-INIZCTEOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426447 707848428 /nfs/dbraw/zinc/84/84/28/707848428.db2.gz QTZKUFWRODLIHX-INIZCTEOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033426447 707848430 /nfs/dbraw/zinc/84/84/30/707848430.db2.gz QTZKUFWRODLIHX-INIZCTEOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426447 707848433 /nfs/dbraw/zinc/84/84/33/707848433.db2.gz QTZKUFWRODLIHX-INIZCTEOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC001033229466 707883807 /nfs/dbraw/zinc/88/38/07/707883807.db2.gz BGZHWUSELJVRLE-HNNXBMFYSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC001033229466 707883811 /nfs/dbraw/zinc/88/38/11/707883811.db2.gz BGZHWUSELJVRLE-HNNXBMFYSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)nn1C ZINC001005009664 707926555 /nfs/dbraw/zinc/92/65/55/707926555.db2.gz NOXSXZILRVWUOZ-DOTOQJQBSA-N 2 2 344.463 1.484 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033468484 707928108 /nfs/dbraw/zinc/92/81/08/707928108.db2.gz XZGRXVLQPNRSJX-HNNXBMFYSA-N 2 2 344.463 1.473 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033468484 707928109 /nfs/dbraw/zinc/92/81/09/707928109.db2.gz XZGRXVLQPNRSJX-HNNXBMFYSA-N 2 2 344.463 1.473 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781885 707971259 /nfs/dbraw/zinc/97/12/59/707971259.db2.gz LUXDEZPAZRBZGK-KKUMJFAQSA-N 2 2 332.448 1.282 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781885 707971261 /nfs/dbraw/zinc/97/12/61/707971261.db2.gz LUXDEZPAZRBZGK-KKUMJFAQSA-N 2 2 332.448 1.282 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032781885 707971263 /nfs/dbraw/zinc/97/12/63/707971263.db2.gz LUXDEZPAZRBZGK-KKUMJFAQSA-N 2 2 332.448 1.282 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032781885 707971266 /nfs/dbraw/zinc/97/12/66/707971266.db2.gz LUXDEZPAZRBZGK-KKUMJFAQSA-N 2 2 332.448 1.282 20 0 EDADLP O=C(C[N@@H+]1CCc2sccc2C1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001032798272 708075440 /nfs/dbraw/zinc/07/54/40/708075440.db2.gz WQIPWBXMYFCDSD-HOTGVXAUSA-N 2 2 331.485 1.801 20 0 EDADLP O=C(C[N@H+]1CCc2sccc2C1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001032798272 708075441 /nfs/dbraw/zinc/07/54/41/708075441.db2.gz WQIPWBXMYFCDSD-HOTGVXAUSA-N 2 2 331.485 1.801 20 0 EDADLP O=C(C[NH+]1CCc2sccc2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032798272 708075443 /nfs/dbraw/zinc/07/54/43/708075443.db2.gz WQIPWBXMYFCDSD-HOTGVXAUSA-N 2 2 331.485 1.801 20 0 EDADLP O=C(C[NH+]1CCc2sccc2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032798272 708075445 /nfs/dbraw/zinc/07/54/45/708075445.db2.gz WQIPWBXMYFCDSD-HOTGVXAUSA-N 2 2 331.485 1.801 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033595021 708297790 /nfs/dbraw/zinc/29/77/90/708297790.db2.gz PMRRHDIANPYBPY-GJZGRUSLSA-N 2 2 334.464 1.647 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033595021 708297793 /nfs/dbraw/zinc/29/77/93/708297793.db2.gz PMRRHDIANPYBPY-GJZGRUSLSA-N 2 2 334.464 1.647 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033667597 708455178 /nfs/dbraw/zinc/45/51/78/708455178.db2.gz IDSOFSKLPCWDEG-HNNXBMFYSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033667597 708455181 /nfs/dbraw/zinc/45/51/81/708455181.db2.gz IDSOFSKLPCWDEG-HNNXBMFYSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC001033670654 708460985 /nfs/dbraw/zinc/46/09/85/708460985.db2.gz WZNBWAWKNQKVCI-DZGCQCFKSA-N 2 2 328.420 1.275 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC001033670654 708460986 /nfs/dbraw/zinc/46/09/86/708460986.db2.gz WZNBWAWKNQKVCI-DZGCQCFKSA-N 2 2 328.420 1.275 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661615 708474535 /nfs/dbraw/zinc/47/45/35/708474535.db2.gz LUQKOEFALATRDF-LSDHHAIUSA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661615 708474538 /nfs/dbraw/zinc/47/45/38/708474538.db2.gz LUQKOEFALATRDF-LSDHHAIUSA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661615 708474542 /nfs/dbraw/zinc/47/45/42/708474542.db2.gz LUQKOEFALATRDF-LSDHHAIUSA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661615 708474545 /nfs/dbraw/zinc/47/45/45/708474545.db2.gz LUQKOEFALATRDF-LSDHHAIUSA-N 2 2 346.475 1.538 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2conc2C)C1 ZINC001033686748 708501813 /nfs/dbraw/zinc/50/18/13/708501813.db2.gz SPZREYHUTKQHSC-DLBZAZTESA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2conc2C)C1 ZINC001033686748 708501815 /nfs/dbraw/zinc/50/18/15/708501815.db2.gz SPZREYHUTKQHSC-DLBZAZTESA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2conc2C)C1 ZINC001033686748 708501816 /nfs/dbraw/zinc/50/18/16/708501816.db2.gz SPZREYHUTKQHSC-DLBZAZTESA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001033686748 708501818 /nfs/dbraw/zinc/50/18/18/708501818.db2.gz SPZREYHUTKQHSC-DLBZAZTESA-N 2 2 334.464 1.890 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001002122561 708637158 /nfs/dbraw/zinc/63/71/58/708637158.db2.gz DUPYHWWIPVMJOS-DZGCQCFKSA-N 2 2 348.495 1.208 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001002122561 708637161 /nfs/dbraw/zinc/63/71/61/708637161.db2.gz DUPYHWWIPVMJOS-DZGCQCFKSA-N 2 2 348.495 1.208 20 0 EDADLP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1F ZINC001002534955 709092371 /nfs/dbraw/zinc/09/23/71/709092371.db2.gz NIAZAXYNNXMXFY-GOSISDBHSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1F ZINC001002534955 709092374 /nfs/dbraw/zinc/09/23/74/709092374.db2.gz NIAZAXYNNXMXFY-GOSISDBHSA-N 2 2 349.450 1.545 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001034048475 709302707 /nfs/dbraw/zinc/30/27/07/709302707.db2.gz PNHGRRHJRROXBQ-ZWXLGZMVSA-N 2 2 329.872 1.382 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001034048475 709302710 /nfs/dbraw/zinc/30/27/10/709302710.db2.gz PNHGRRHJRROXBQ-ZWXLGZMVSA-N 2 2 329.872 1.382 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001034048475 709302715 /nfs/dbraw/zinc/30/27/15/709302715.db2.gz PNHGRRHJRROXBQ-ZWXLGZMVSA-N 2 2 329.872 1.382 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001034048475 709302718 /nfs/dbraw/zinc/30/27/18/709302718.db2.gz PNHGRRHJRROXBQ-ZWXLGZMVSA-N 2 2 329.872 1.382 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001002873121 709493232 /nfs/dbraw/zinc/49/32/32/709493232.db2.gz ZPYUFPVYVYMKRA-GUYCJALGSA-N 2 2 349.479 1.406 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001002873121 709493238 /nfs/dbraw/zinc/49/32/38/709493238.db2.gz ZPYUFPVYVYMKRA-GUYCJALGSA-N 2 2 349.479 1.406 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](Cc2ncccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034206705 709553544 /nfs/dbraw/zinc/55/35/44/709553544.db2.gz DVPBWSKULSRALY-IAGOWNOFSA-N 2 2 343.475 1.289 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](Cc2ncccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034206705 709553546 /nfs/dbraw/zinc/55/35/46/709553546.db2.gz DVPBWSKULSRALY-IAGOWNOFSA-N 2 2 343.475 1.289 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218625 709575408 /nfs/dbraw/zinc/57/54/08/709575408.db2.gz IFSPBKSXEBUUDF-HOTGVXAUSA-N 2 2 348.491 1.768 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218625 709575413 /nfs/dbraw/zinc/57/54/13/709575413.db2.gz IFSPBKSXEBUUDF-HOTGVXAUSA-N 2 2 348.491 1.768 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001002956052 709657268 /nfs/dbraw/zinc/65/72/68/709657268.db2.gz OROJQGWCDHIECU-GOSISDBHSA-N 2 2 347.507 1.858 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001002956052 709657269 /nfs/dbraw/zinc/65/72/69/709657269.db2.gz OROJQGWCDHIECU-GOSISDBHSA-N 2 2 347.507 1.858 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)on2)CC1 ZINC001002956096 709658774 /nfs/dbraw/zinc/65/87/74/709658774.db2.gz QVVFSXYRLDSPKM-KRWDZBQOSA-N 2 2 334.464 1.938 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)on2)CC1 ZINC001002956096 709658777 /nfs/dbraw/zinc/65/87/77/709658777.db2.gz QVVFSXYRLDSPKM-KRWDZBQOSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC001034270867 709676664 /nfs/dbraw/zinc/67/66/64/709676664.db2.gz JGAARMGPPVQOGL-WBVHZDCISA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC001034270867 709676667 /nfs/dbraw/zinc/67/66/67/709676667.db2.gz JGAARMGPPVQOGL-WBVHZDCISA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)o1 ZINC001034270867 709676669 /nfs/dbraw/zinc/67/66/69/709676669.db2.gz JGAARMGPPVQOGL-WBVHZDCISA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)o1 ZINC001034270867 709676670 /nfs/dbraw/zinc/67/66/70/709676670.db2.gz JGAARMGPPVQOGL-WBVHZDCISA-N 2 2 334.464 1.938 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001034309403 709751183 /nfs/dbraw/zinc/75/11/83/709751183.db2.gz LOLYPXPASXIQJU-JKSUJKDBSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001034309403 709751185 /nfs/dbraw/zinc/75/11/85/709751185.db2.gz LOLYPXPASXIQJU-JKSUJKDBSA-N 2 2 342.447 1.713 20 0 EDADLP C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034377861 709898151 /nfs/dbraw/zinc/89/81/51/709898151.db2.gz MRWTWTYQFFACHS-RDJZCZTQSA-N 2 2 345.491 1.850 20 0 EDADLP C[C@@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034377861 709898155 /nfs/dbraw/zinc/89/81/55/709898155.db2.gz MRWTWTYQFFACHS-RDJZCZTQSA-N 2 2 345.491 1.850 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001034460886 710026459 /nfs/dbraw/zinc/02/64/59/710026459.db2.gz HPANBYSKMRCQOX-KRWDZBQOSA-N 2 2 347.507 1.623 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001034460886 710026466 /nfs/dbraw/zinc/02/64/66/710026466.db2.gz HPANBYSKMRCQOX-KRWDZBQOSA-N 2 2 347.507 1.623 20 0 EDADLP COc1cc[nH+]cc1CC(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001003138991 710050376 /nfs/dbraw/zinc/05/03/76/710050376.db2.gz NJWLXTMPJXZBTH-OAHLLOKOSA-N 2 2 347.459 1.640 20 0 EDADLP C[C@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001003156267 710058908 /nfs/dbraw/zinc/05/89/08/710058908.db2.gz NOQZCVJWZUTWKZ-GFCCVEGCSA-N 2 2 343.431 1.234 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)no1 ZINC001034493451 710115702 /nfs/dbraw/zinc/11/57/02/710115702.db2.gz SLRQLZGIZGQHGK-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)no1 ZINC001034493451 710115705 /nfs/dbraw/zinc/11/57/05/710115705.db2.gz SLRQLZGIZGQHGK-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)no1 ZINC001034493451 710115707 /nfs/dbraw/zinc/11/57/07/710115707.db2.gz SLRQLZGIZGQHGK-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)no1 ZINC001034493451 710115711 /nfs/dbraw/zinc/11/57/11/710115711.db2.gz SLRQLZGIZGQHGK-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1)OC ZINC001003211584 710123061 /nfs/dbraw/zinc/12/30/61/710123061.db2.gz VLICCXCWSGEDQN-HOCLYGCPSA-N 2 2 348.491 1.829 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1)OC ZINC001003211584 710123062 /nfs/dbraw/zinc/12/30/62/710123062.db2.gz VLICCXCWSGEDQN-HOCLYGCPSA-N 2 2 348.491 1.829 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003193229 710128015 /nfs/dbraw/zinc/12/80/15/710128015.db2.gz MUQKPJGDKHSCJP-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)no1 ZINC001034529591 710184777 /nfs/dbraw/zinc/18/47/77/710184777.db2.gz JXTICBKIVQOSNX-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)no1 ZINC001034529591 710184779 /nfs/dbraw/zinc/18/47/79/710184779.db2.gz JXTICBKIVQOSNX-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546504 710220620 /nfs/dbraw/zinc/22/06/20/710220620.db2.gz FRNAFSPDXXKMBF-HNNXBMFYSA-N 2 2 347.488 1.861 20 0 EDADLP Cc1ncsc1CC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546504 710220623 /nfs/dbraw/zinc/22/06/23/710220623.db2.gz FRNAFSPDXXKMBF-HNNXBMFYSA-N 2 2 347.488 1.861 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001034546833 710220852 /nfs/dbraw/zinc/22/08/52/710220852.db2.gz KKYOCKIXHHAUGB-KGLIPLIRSA-N 2 2 342.390 1.278 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001034546833 710220855 /nfs/dbraw/zinc/22/08/55/710220855.db2.gz KKYOCKIXHHAUGB-KGLIPLIRSA-N 2 2 342.390 1.278 20 0 EDADLP COc1ncccc1C[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001003311960 710240886 /nfs/dbraw/zinc/24/08/86/710240886.db2.gz JBSLPNCYAMDPPW-UHFFFAOYSA-N 2 2 343.431 1.376 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cs1 ZINC001003627811 710457711 /nfs/dbraw/zinc/45/77/11/710457711.db2.gz IRKKIKNHJSEMSH-CYBMUJFWSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cs1 ZINC001003627811 710457712 /nfs/dbraw/zinc/45/77/12/710457712.db2.gz IRKKIKNHJSEMSH-CYBMUJFWSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC001003627648 710457819 /nfs/dbraw/zinc/45/78/19/710457819.db2.gz HYHNMPLVJOQBGM-UHFFFAOYSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC001003627648 710457821 /nfs/dbraw/zinc/45/78/21/710457821.db2.gz HYHNMPLVJOQBGM-UHFFFAOYSA-N 2 2 345.491 1.598 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003628190 710458346 /nfs/dbraw/zinc/45/83/46/710458346.db2.gz NVULHSRPYNNHPW-KBPBESRZSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003628190 710458347 /nfs/dbraw/zinc/45/83/47/710458347.db2.gz NVULHSRPYNNHPW-KBPBESRZSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)nc1 ZINC001003635339 710462332 /nfs/dbraw/zinc/46/23/32/710462332.db2.gz OUQCZUGVIJDGDU-GDBMZVCRSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)nc1 ZINC001003635339 710462333 /nfs/dbraw/zinc/46/23/33/710462333.db2.gz OUQCZUGVIJDGDU-GDBMZVCRSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1nc(C)c(C[NH+]2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)s1 ZINC001003701721 710495789 /nfs/dbraw/zinc/49/57/89/710495789.db2.gz WHYBYYCQFWNMTE-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP CO[C@@H](C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC001003844265 710684259 /nfs/dbraw/zinc/68/42/59/710684259.db2.gz FWZGTHQYYYZPAR-KRWDZBQOSA-N 2 2 342.443 1.921 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005605502 710685870 /nfs/dbraw/zinc/68/58/70/710685870.db2.gz JMOZRZLPGXSYKN-HOTGVXAUSA-N 2 2 346.475 1.405 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1)C2 ZINC001005622799 710739436 /nfs/dbraw/zinc/73/94/36/710739436.db2.gz LPGNIUIVWKTZRQ-JSGCOSHPSA-N 2 2 334.464 1.127 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1)CC2 ZINC001005622799 710739441 /nfs/dbraw/zinc/73/94/41/710739441.db2.gz LPGNIUIVWKTZRQ-JSGCOSHPSA-N 2 2 334.464 1.127 20 0 EDADLP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001034700836 710803854 /nfs/dbraw/zinc/80/38/54/710803854.db2.gz JRIMWVVCMATYHX-BZSNNMDCSA-N 2 2 337.508 1.913 20 0 EDADLP CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001034700836 710803856 /nfs/dbraw/zinc/80/38/56/710803856.db2.gz JRIMWVVCMATYHX-BZSNNMDCSA-N 2 2 337.508 1.913 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1 ZINC001034736957 710947776 /nfs/dbraw/zinc/94/77/76/710947776.db2.gz PECIEAIIDZPLRL-RRCSTGOVSA-N 2 2 343.431 1.729 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)sn1 ZINC001032968196 711031208 /nfs/dbraw/zinc/03/12/08/711031208.db2.gz NTEADXHKUHABRZ-JSGCOSHPSA-N 2 2 338.477 1.279 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)sn1 ZINC001032968196 711031211 /nfs/dbraw/zinc/03/12/11/711031211.db2.gz NTEADXHKUHABRZ-JSGCOSHPSA-N 2 2 338.477 1.279 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)sn1 ZINC001032968196 711031214 /nfs/dbraw/zinc/03/12/14/711031214.db2.gz NTEADXHKUHABRZ-JSGCOSHPSA-N 2 2 338.477 1.279 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)sn1 ZINC001032968196 711031215 /nfs/dbraw/zinc/03/12/15/711031215.db2.gz NTEADXHKUHABRZ-JSGCOSHPSA-N 2 2 338.477 1.279 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1C ZINC001032971913 711035283 /nfs/dbraw/zinc/03/52/83/711035283.db2.gz AZKMJVGAHZRVLC-RTBURBONSA-N 2 2 345.487 1.667 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1C ZINC001032971913 711035286 /nfs/dbraw/zinc/03/52/86/711035286.db2.gz AZKMJVGAHZRVLC-RTBURBONSA-N 2 2 345.487 1.667 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1C ZINC001032971913 711035291 /nfs/dbraw/zinc/03/52/91/711035291.db2.gz AZKMJVGAHZRVLC-RTBURBONSA-N 2 2 345.487 1.667 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1C ZINC001032971913 711035296 /nfs/dbraw/zinc/03/52/96/711035296.db2.gz AZKMJVGAHZRVLC-RTBURBONSA-N 2 2 345.487 1.667 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001003986237 711191170 /nfs/dbraw/zinc/19/11/70/711191170.db2.gz SFRRDNLRBOOPMH-CYBMUJFWSA-N 2 2 347.463 1.369 20 0 EDADLP CCc1cc(N2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)nc(C)[nH+]1 ZINC001061379081 711297919 /nfs/dbraw/zinc/29/79/19/711297919.db2.gz FTMDACZGJWLXTC-MRXNPFEDSA-N 2 2 343.475 1.528 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001034922367 711383282 /nfs/dbraw/zinc/38/32/82/711383282.db2.gz KAJTWKFCIKBUBV-CQSZACIVSA-N 2 2 330.436 1.340 20 0 EDADLP CCc1noc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001034958010 711431264 /nfs/dbraw/zinc/43/12/64/711431264.db2.gz UHEZHXNPNXDORY-UKRRQHHQSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1noc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001034958010 711431266 /nfs/dbraw/zinc/43/12/66/711431266.db2.gz UHEZHXNPNXDORY-UKRRQHHQSA-N 2 2 349.479 1.758 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC001004188596 711643194 /nfs/dbraw/zinc/64/31/94/711643194.db2.gz IOAMQQLETYXKNV-CYBMUJFWSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC001004188596 711643196 /nfs/dbraw/zinc/64/31/96/711643196.db2.gz IOAMQQLETYXKNV-CYBMUJFWSA-N 2 2 337.489 1.068 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004586763 712020233 /nfs/dbraw/zinc/02/02/33/712020233.db2.gz UHJLDYOHLYYJIG-GOEBONIOSA-N 2 2 334.464 1.690 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001004586763 712020235 /nfs/dbraw/zinc/02/02/35/712020235.db2.gz UHJLDYOHLYYJIG-GOEBONIOSA-N 2 2 334.464 1.690 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597038 712038710 /nfs/dbraw/zinc/03/87/10/712038710.db2.gz QIDHPRWYXAKFHD-YOEHRIQHSA-N 2 2 334.464 1.046 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004597038 712038712 /nfs/dbraw/zinc/03/87/12/712038712.db2.gz QIDHPRWYXAKFHD-YOEHRIQHSA-N 2 2 334.464 1.046 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004612039 712066826 /nfs/dbraw/zinc/06/68/26/712066826.db2.gz YNWGRGMDDURYFG-KBXCAEBGSA-N 2 2 348.491 1.999 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004612039 712066828 /nfs/dbraw/zinc/06/68/28/712066828.db2.gz YNWGRGMDDURYFG-KBXCAEBGSA-N 2 2 348.491 1.999 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061543240 712310913 /nfs/dbraw/zinc/31/09/13/712310913.db2.gz WZNUGAXXSPPGTM-HOTGVXAUSA-N 2 2 331.464 1.439 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC[N@@H+]1CCOC ZINC000557665137 306232735 /nfs/dbraw/zinc/23/27/35/306232735.db2.gz XUVITTDYFSGVJZ-WMZOPIPTSA-N 2 2 348.491 1.713 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC[N@H+]1CCOC ZINC000557665137 306232736 /nfs/dbraw/zinc/23/27/36/306232736.db2.gz XUVITTDYFSGVJZ-WMZOPIPTSA-N 2 2 348.491 1.713 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000052523168 214131976 /nfs/dbraw/zinc/13/19/76/214131976.db2.gz LFBRSNBTMPSRGS-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000052523168 214131978 /nfs/dbraw/zinc/13/19/78/214131978.db2.gz LFBRSNBTMPSRGS-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000174243366 231158874 /nfs/dbraw/zinc/15/88/74/231158874.db2.gz OSXJEKYLATUYKP-GVDBMIGSSA-N 2 2 338.496 1.223 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000347828827 282255215 /nfs/dbraw/zinc/25/52/15/282255215.db2.gz QAEDHTWGCFTYNO-CRAIPNDOSA-N 2 2 348.491 1.699 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)[NH+]1CCOCC1 ZINC000359302489 282255255 /nfs/dbraw/zinc/25/52/55/282255255.db2.gz WXXMBESFANGFDP-IAGOWNOFSA-N 2 2 325.497 1.580 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)cn1 ZINC000173953075 529930228 /nfs/dbraw/zinc/93/02/28/529930228.db2.gz DUYSOEINYBBVPH-RDJZCZTQSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)cn1 ZINC000173953075 529930229 /nfs/dbraw/zinc/93/02/29/529930229.db2.gz DUYSOEINYBBVPH-RDJZCZTQSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+](C)CC[C@@H]3CCCC[N@@H+]3C)C2=O)cn1 ZINC000173953075 529930230 /nfs/dbraw/zinc/93/02/30/529930230.db2.gz DUYSOEINYBBVPH-RDJZCZTQSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+](C)CC[C@@H]3CCCC[N@H+]3C)C2=O)cn1 ZINC000173953075 529930231 /nfs/dbraw/zinc/93/02/31/529930231.db2.gz DUYSOEINYBBVPH-RDJZCZTQSA-N 2 2 333.480 1.722 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)[N@H+](C)C1 ZINC000329018570 539391678 /nfs/dbraw/zinc/39/16/78/539391678.db2.gz LBCADDNRBUBVEX-XKQJLSEDSA-N 2 2 346.475 1.682 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)[N@@H+](C)C1 ZINC000329018570 539391679 /nfs/dbraw/zinc/39/16/79/539391679.db2.gz LBCADDNRBUBVEX-XKQJLSEDSA-N 2 2 346.475 1.682 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000560545673 306274162 /nfs/dbraw/zinc/27/41/62/306274162.db2.gz QLXQKFZOWOFFRA-OAHLLOKOSA-N 2 2 348.472 1.832 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000560545673 306274163 /nfs/dbraw/zinc/27/41/63/306274163.db2.gz QLXQKFZOWOFFRA-OAHLLOKOSA-N 2 2 348.472 1.832 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccccc1 ZINC000412423970 304006479 /nfs/dbraw/zinc/00/64/79/304006479.db2.gz RJLHSKRWSGRSJB-FGTMMUONSA-N 2 2 331.460 1.611 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccccc1 ZINC000412423970 304006481 /nfs/dbraw/zinc/00/64/81/304006481.db2.gz RJLHSKRWSGRSJB-FGTMMUONSA-N 2 2 331.460 1.611 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[N@@H+]1C1CC1 ZINC000561407362 306287685 /nfs/dbraw/zinc/28/76/85/306287685.db2.gz FAVLSVCOWMQTOU-ZBFHGGJFSA-N 2 2 344.459 1.269 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[N@H+]1C1CC1 ZINC000561407362 306287686 /nfs/dbraw/zinc/28/76/86/306287686.db2.gz FAVLSVCOWMQTOU-ZBFHGGJFSA-N 2 2 344.459 1.269 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000352745700 539926747 /nfs/dbraw/zinc/92/67/47/539926747.db2.gz WYCREHHCDNJMNM-IYBDPMFKSA-N 2 2 333.480 1.359 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000352745700 539926752 /nfs/dbraw/zinc/92/67/52/539926752.db2.gz WYCREHHCDNJMNM-IYBDPMFKSA-N 2 2 333.480 1.359 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000352745700 539926755 /nfs/dbraw/zinc/92/67/55/539926755.db2.gz WYCREHHCDNJMNM-IYBDPMFKSA-N 2 2 333.480 1.359 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000352745700 539926759 /nfs/dbraw/zinc/92/67/59/539926759.db2.gz WYCREHHCDNJMNM-IYBDPMFKSA-N 2 2 333.480 1.359 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000420144238 282901771 /nfs/dbraw/zinc/90/17/71/282901771.db2.gz KYBGPZNQOLZRJU-LSDHHAIUSA-N 2 2 349.479 1.590 20 0 EDADLP COCCOC[C@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000562996809 306314964 /nfs/dbraw/zinc/31/49/64/306314964.db2.gz OCTVWSWVBOCXHV-CRAIPNDOSA-N 2 2 337.464 1.221 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H](C)[NH2+]C1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000563157662 306320896 /nfs/dbraw/zinc/32/08/96/306320896.db2.gz KRPWLWQMYJLULY-HOCLYGCPSA-N 3 2 345.491 1.514 20 0 EDADLP CC[NH+]1CCC(NC(=O)CSc2[nH+]cnc3c2cnn3C)CC1 ZINC000021754834 540066420 /nfs/dbraw/zinc/06/64/20/540066420.db2.gz QZGQRVCUOPVAPD-UHFFFAOYSA-N 2 2 334.449 1.056 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183388648 540137775 /nfs/dbraw/zinc/13/77/75/540137775.db2.gz WBLZXLSAPZGJNA-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183388648 540137777 /nfs/dbraw/zinc/13/77/77/540137777.db2.gz WBLZXLSAPZGJNA-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000563364143 306330216 /nfs/dbraw/zinc/33/02/16/306330216.db2.gz LJTNNKQJNKEJPG-DOTOQJQBSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000563364143 306330217 /nfs/dbraw/zinc/33/02/17/306330217.db2.gz LJTNNKQJNKEJPG-DOTOQJQBSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000563364143 306330218 /nfs/dbraw/zinc/33/02/18/306330218.db2.gz LJTNNKQJNKEJPG-DOTOQJQBSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000563364143 306330219 /nfs/dbraw/zinc/33/02/19/306330219.db2.gz LJTNNKQJNKEJPG-DOTOQJQBSA-N 2 2 342.867 1.732 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000563381642 306330945 /nfs/dbraw/zinc/33/09/45/306330945.db2.gz UZIGSCNDVUCJAE-UHFFFAOYSA-N 2 2 331.460 1.768 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000563381642 306330946 /nfs/dbraw/zinc/33/09/46/306330946.db2.gz UZIGSCNDVUCJAE-UHFFFAOYSA-N 2 2 331.460 1.768 20 0 EDADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NCc1cccs1 ZINC000051957034 138136016 /nfs/dbraw/zinc/13/60/16/138136016.db2.gz SCMLYVFAZRTUFW-UHFFFAOYSA-N 2 2 337.489 1.409 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2C1 ZINC000372076027 283180091 /nfs/dbraw/zinc/18/00/91/283180091.db2.gz VSBIHPIEVUZCBD-RDTXWAMCSA-N 2 2 327.476 1.918 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2C1 ZINC000372076027 283180093 /nfs/dbraw/zinc/18/00/93/283180093.db2.gz VSBIHPIEVUZCBD-RDTXWAMCSA-N 2 2 327.476 1.918 20 0 EDADLP C[NH+]1CCc2ncnc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2C1 ZINC000372076027 283180094 /nfs/dbraw/zinc/18/00/94/283180094.db2.gz VSBIHPIEVUZCBD-RDTXWAMCSA-N 2 2 327.476 1.918 20 0 EDADLP C[NH+]1CCc2ncnc(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2C1 ZINC000372076027 283180097 /nfs/dbraw/zinc/18/00/97/283180097.db2.gz VSBIHPIEVUZCBD-RDTXWAMCSA-N 2 2 327.476 1.918 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000074192989 138227165 /nfs/dbraw/zinc/22/71/65/138227165.db2.gz NJKKQPXURCVRJD-INIZCTEOSA-N 2 2 336.480 1.870 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000073728058 138220815 /nfs/dbraw/zinc/22/08/15/138220815.db2.gz CICZZGOTAZVUFE-LSDHHAIUSA-N 2 2 341.402 1.404 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000073728058 138220816 /nfs/dbraw/zinc/22/08/16/138220816.db2.gz CICZZGOTAZVUFE-LSDHHAIUSA-N 2 2 341.402 1.404 20 0 EDADLP CCc1ccc([C@H](CNC(=O)NCC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000077930866 138255923 /nfs/dbraw/zinc/25/59/23/138255923.db2.gz CYOKKPIOHMJMEC-SFHVURJKSA-N 2 2 348.491 1.483 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000089393618 138274042 /nfs/dbraw/zinc/27/40/42/138274042.db2.gz AQGWDJBZTHTNQX-MRXNPFEDSA-N 2 2 339.443 1.873 20 0 EDADLP CCc1nn(C)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000092480049 138289085 /nfs/dbraw/zinc/28/90/85/138289085.db2.gz FIGRVSGPNFOGKC-UHFFFAOYSA-N 2 2 347.507 1.663 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC000093159819 138292401 /nfs/dbraw/zinc/29/24/01/138292401.db2.gz HMYXMSVNHYKAJY-UHFFFAOYSA-N 2 2 331.460 1.551 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(CCC(C)C)no3)C2)CC1 ZINC000107368211 138304108 /nfs/dbraw/zinc/30/41/08/138304108.db2.gz RWTIFSKZVZSYRV-INIZCTEOSA-N 2 2 335.496 1.870 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(CCC(C)C)no3)C2)CC1 ZINC000107368211 138304109 /nfs/dbraw/zinc/30/41/09/138304109.db2.gz RWTIFSKZVZSYRV-INIZCTEOSA-N 2 2 335.496 1.870 20 0 EDADLP c1c[nH+]c(CN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)[nH]1 ZINC000109835213 138306563 /nfs/dbraw/zinc/30/65/63/138306563.db2.gz MBOLNQQUXPBTFJ-QGZVFWFLSA-N 2 2 340.475 1.839 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123975052 138322854 /nfs/dbraw/zinc/32/28/54/138322854.db2.gz XGPHBFDSYGNAJZ-RDJZCZTQSA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123975052 138322855 /nfs/dbraw/zinc/32/28/55/138322855.db2.gz XGPHBFDSYGNAJZ-RDJZCZTQSA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123975052 138322856 /nfs/dbraw/zinc/32/28/56/138322856.db2.gz XGPHBFDSYGNAJZ-RDJZCZTQSA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123975052 138322857 /nfs/dbraw/zinc/32/28/57/138322857.db2.gz XGPHBFDSYGNAJZ-RDJZCZTQSA-N 2 2 333.476 1.768 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)[NH+]1CCSCC1 ZINC000131262022 138355963 /nfs/dbraw/zinc/35/59/63/138355963.db2.gz DJNQPAYMKCRXIX-CABCVRRESA-N 2 2 334.489 1.604 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000563683118 306345008 /nfs/dbraw/zinc/34/50/08/306345008.db2.gz OQCRXJVAKIIQHK-OAHLLOKOSA-N 2 2 349.479 1.016 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000563683118 306345009 /nfs/dbraw/zinc/34/50/09/306345009.db2.gz OQCRXJVAKIIQHK-OAHLLOKOSA-N 2 2 349.479 1.016 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCOCC(F)F)c2cc1C ZINC000563805726 306347778 /nfs/dbraw/zinc/34/77/78/306347778.db2.gz OALVUQRHLFZSGZ-CYBMUJFWSA-N 2 2 327.375 1.885 20 0 EDADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000637887287 452137889 /nfs/dbraw/zinc/13/78/89/452137889.db2.gz RKRHAPPMGFQLEE-UHFFFAOYSA-N 2 2 329.441 1.389 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000637887287 452137894 /nfs/dbraw/zinc/13/78/94/452137894.db2.gz RKRHAPPMGFQLEE-UHFFFAOYSA-N 2 2 329.441 1.389 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3C[C@@H]([NH3+])C3)CCCC2)no1 ZINC000564658881 306362600 /nfs/dbraw/zinc/36/26/00/306362600.db2.gz LFDVHTDYBFNUPA-BETUJISGSA-N 2 2 335.452 1.534 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000565420741 306383534 /nfs/dbraw/zinc/38/35/34/306383534.db2.gz OLPXUDRFTSJOCA-HDMKZQKVSA-N 2 2 347.459 1.324 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000565587755 306387319 /nfs/dbraw/zinc/38/73/19/306387319.db2.gz KPAGXDNDOMGDSA-AEFFLSMTSA-N 2 2 339.443 1.682 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414369751 304112656 /nfs/dbraw/zinc/11/26/56/304112656.db2.gz VKKFUIINXKMGJY-UHFFFAOYSA-N 2 2 328.359 1.897 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414369751 304112658 /nfs/dbraw/zinc/11/26/58/304112658.db2.gz VKKFUIINXKMGJY-UHFFFAOYSA-N 2 2 328.359 1.897 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000376713545 296057547 /nfs/dbraw/zinc/05/75/47/296057547.db2.gz WAOUCDHUHUHVIW-OKYOBFRVSA-N 2 2 347.503 1.430 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000376713545 296057548 /nfs/dbraw/zinc/05/75/48/296057548.db2.gz WAOUCDHUHUHVIW-OKYOBFRVSA-N 2 2 347.503 1.430 20 0 EDADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376713545 296057549 /nfs/dbraw/zinc/05/75/49/296057549.db2.gz WAOUCDHUHUHVIW-OKYOBFRVSA-N 2 2 347.503 1.430 20 0 EDADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000376713545 296057551 /nfs/dbraw/zinc/05/75/51/296057551.db2.gz WAOUCDHUHUHVIW-OKYOBFRVSA-N 2 2 347.503 1.430 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1OC ZINC000414772385 304139471 /nfs/dbraw/zinc/13/94/71/304139471.db2.gz UENWNQWBZWZHLC-GDBMZVCRSA-N 2 2 349.475 1.769 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1OC ZINC000414772385 304139472 /nfs/dbraw/zinc/13/94/72/304139472.db2.gz UENWNQWBZWZHLC-GDBMZVCRSA-N 2 2 349.475 1.769 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000566676784 306424618 /nfs/dbraw/zinc/42/46/18/306424618.db2.gz FPEWSBOOFVIXBZ-GJZGRUSLSA-N 2 2 334.464 1.444 20 0 EDADLP COc1ccc([C@@H](CNC(=O)C[N@H+](C)CCO)[NH+]2CCCCC2)cc1 ZINC000070924508 203084048 /nfs/dbraw/zinc/08/40/48/203084048.db2.gz SZGHAPIYSRDTNL-GOSISDBHSA-N 2 2 349.475 1.263 20 0 EDADLP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)CCO)[NH+]2CCCCC2)cc1 ZINC000070924508 203084050 /nfs/dbraw/zinc/08/40/50/203084050.db2.gz SZGHAPIYSRDTNL-GOSISDBHSA-N 2 2 349.475 1.263 20 0 EDADLP C[C@@H]([NH3+])CCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000193310684 138966332 /nfs/dbraw/zinc/96/63/32/138966332.db2.gz RHIHNVMZWZUHJU-IAGOWNOFSA-N 2 2 333.476 1.863 20 0 EDADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415097172 304159732 /nfs/dbraw/zinc/15/97/32/304159732.db2.gz RWUOFSUZPPYCPU-LBPRGKRZSA-N 2 2 334.372 1.306 20 0 EDADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415115144 304160791 /nfs/dbraw/zinc/16/07/91/304160791.db2.gz WIWOQHLMTBXKRY-CYBMUJFWSA-N 2 2 348.399 1.778 20 0 EDADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415115144 304160793 /nfs/dbraw/zinc/16/07/93/304160793.db2.gz WIWOQHLMTBXKRY-CYBMUJFWSA-N 2 2 348.399 1.778 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCc1cccc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000105141081 204136278 /nfs/dbraw/zinc/13/62/78/204136278.db2.gz CHQWDLPAWUTPHO-JKSUJKDBSA-N 2 2 348.491 1.657 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000111450575 204359776 /nfs/dbraw/zinc/35/97/76/204359776.db2.gz ZHTPCTPUGZSFKX-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000111450575 204359779 /nfs/dbraw/zinc/35/97/79/204359779.db2.gz ZHTPCTPUGZSFKX-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000111493242 204360775 /nfs/dbraw/zinc/36/07/75/204360775.db2.gz MTRPOHZHGPIKME-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000111493242 204360779 /nfs/dbraw/zinc/36/07/79/204360779.db2.gz MTRPOHZHGPIKME-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000111493242 204360783 /nfs/dbraw/zinc/36/07/83/204360783.db2.gz MTRPOHZHGPIKME-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000111493242 204360789 /nfs/dbraw/zinc/36/07/89/204360789.db2.gz MTRPOHZHGPIKME-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111581726 204362709 /nfs/dbraw/zinc/36/27/09/204362709.db2.gz GOPKLDBZPBRVEI-CRAIPNDOSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111581726 204362714 /nfs/dbraw/zinc/36/27/14/204362714.db2.gz GOPKLDBZPBRVEI-CRAIPNDOSA-N 2 2 348.466 1.547 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)C(=O)OC ZINC000111244491 204342541 /nfs/dbraw/zinc/34/25/41/204342541.db2.gz AIYKIHFQDSQGHS-XJKSGUPXSA-N 2 2 336.436 1.224 20 0 EDADLP O=C(C[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1 ZINC000195144542 139007928 /nfs/dbraw/zinc/00/79/28/139007928.db2.gz YIZYPECQYSIAAQ-OAHLLOKOSA-N 2 2 344.459 1.205 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000496072456 284340989 /nfs/dbraw/zinc/34/09/89/284340989.db2.gz ZHNMCEIYINFPCH-IAGOWNOFSA-N 2 2 341.496 1.822 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000496072456 284340996 /nfs/dbraw/zinc/34/09/96/284340996.db2.gz ZHNMCEIYINFPCH-IAGOWNOFSA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000496072456 284340999 /nfs/dbraw/zinc/34/09/99/284340999.db2.gz ZHNMCEIYINFPCH-IAGOWNOFSA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000496072456 284341000 /nfs/dbraw/zinc/34/10/00/284341000.db2.gz ZHNMCEIYINFPCH-IAGOWNOFSA-N 2 2 341.496 1.822 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000237379278 139049659 /nfs/dbraw/zinc/04/96/59/139049659.db2.gz PLZBWIWUVMKDMO-KRWDZBQOSA-N 2 2 347.459 1.490 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2ccccn2)C1 ZINC000127998219 205127744 /nfs/dbraw/zinc/12/77/44/205127744.db2.gz LVTNHMCUQFVPEB-DLBZAZTESA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2ccccn2)C1 ZINC000127998219 205127748 /nfs/dbraw/zinc/12/77/48/205127748.db2.gz LVTNHMCUQFVPEB-DLBZAZTESA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)C1 ZINC000127998219 205127752 /nfs/dbraw/zinc/12/77/52/205127752.db2.gz LVTNHMCUQFVPEB-DLBZAZTESA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)C1 ZINC000127998219 205127757 /nfs/dbraw/zinc/12/77/57/205127757.db2.gz LVTNHMCUQFVPEB-DLBZAZTESA-N 2 2 348.491 1.547 20 0 EDADLP C[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000132839349 205344918 /nfs/dbraw/zinc/34/49/18/205344918.db2.gz XNDIRIDPGFNBIP-GJZGRUSLSA-N 2 2 326.391 1.571 20 0 EDADLP C[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000132839349 205344922 /nfs/dbraw/zinc/34/49/22/205344922.db2.gz XNDIRIDPGFNBIP-GJZGRUSLSA-N 2 2 326.391 1.571 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000111622153 220171634 /nfs/dbraw/zinc/17/16/34/220171634.db2.gz AJXBVMQMUOBXCO-QGZVFWFLSA-N 2 2 345.487 1.614 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000111622153 220171636 /nfs/dbraw/zinc/17/16/36/220171636.db2.gz AJXBVMQMUOBXCO-QGZVFWFLSA-N 2 2 345.487 1.614 20 0 EDADLP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237993889 139065919 /nfs/dbraw/zinc/06/59/19/139065919.db2.gz MLMMDMKQWBHXJE-QGZVFWFLSA-N 2 2 329.444 1.426 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245574403 139079806 /nfs/dbraw/zinc/07/98/06/139079806.db2.gz HJYFPYKAIRXQBV-CABCVRRESA-N 2 2 336.436 1.226 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245574403 139079807 /nfs/dbraw/zinc/07/98/07/139079807.db2.gz HJYFPYKAIRXQBV-CABCVRRESA-N 2 2 336.436 1.226 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000245720398 139084260 /nfs/dbraw/zinc/08/42/60/139084260.db2.gz UPFJKBQXNYGIMB-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000245720398 139084261 /nfs/dbraw/zinc/08/42/61/139084261.db2.gz UPFJKBQXNYGIMB-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+](C)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245720398 139084262 /nfs/dbraw/zinc/08/42/62/139084262.db2.gz UPFJKBQXNYGIMB-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[NH+](C)CC[C@H]2CCC[N@H+]2C)C1 ZINC000245720398 139084263 /nfs/dbraw/zinc/08/42/63/139084263.db2.gz UPFJKBQXNYGIMB-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2ncc(C)cc2C)CC1 ZINC000567760492 306461703 /nfs/dbraw/zinc/46/17/03/306461703.db2.gz UXPARTAEYOQOJU-UHFFFAOYSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246137755 139096345 /nfs/dbraw/zinc/09/63/45/139096345.db2.gz KFENWBYZPQYLKN-STQMWFEESA-N 2 2 345.447 1.457 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246137755 139096346 /nfs/dbraw/zinc/09/63/46/139096346.db2.gz KFENWBYZPQYLKN-STQMWFEESA-N 2 2 345.447 1.457 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246137755 139096347 /nfs/dbraw/zinc/09/63/47/139096347.db2.gz KFENWBYZPQYLKN-STQMWFEESA-N 2 2 345.447 1.457 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246137755 139096348 /nfs/dbraw/zinc/09/63/48/139096348.db2.gz KFENWBYZPQYLKN-STQMWFEESA-N 2 2 345.447 1.457 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246427841 139108021 /nfs/dbraw/zinc/10/80/21/139108021.db2.gz MNPLIRBWHBFZKH-ILXRZTDVSA-N 2 2 337.468 1.236 20 0 EDADLP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)ccc1Oc1cc[nH+]cc1 ZINC000415321827 304194337 /nfs/dbraw/zinc/19/43/37/304194337.db2.gz DLGCOUCYTJGKKZ-CQSZACIVSA-N 2 2 340.383 1.599 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415338727 304197327 /nfs/dbraw/zinc/19/73/27/304197327.db2.gz ACKYRNWAQLIGPE-CYBMUJFWSA-N 2 2 340.383 1.633 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000349749234 284585816 /nfs/dbraw/zinc/58/58/16/284585816.db2.gz SQBKMRFTHUQWOJ-DLBZAZTESA-N 2 2 342.528 1.859 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000247596609 139152958 /nfs/dbraw/zinc/15/29/58/139152958.db2.gz MWCKELDYAVBNGP-QBPKDAKJSA-N 2 2 349.479 1.585 20 0 EDADLP CC[C@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000248548344 139166940 /nfs/dbraw/zinc/16/69/40/139166940.db2.gz JWKYZQQZSFDXOJ-BBCBXFPWSA-N 2 2 349.519 1.961 20 0 EDADLP CC[C@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000248548344 139166941 /nfs/dbraw/zinc/16/69/41/139166941.db2.gz JWKYZQQZSFDXOJ-BBCBXFPWSA-N 2 2 349.519 1.961 20 0 EDADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(CC[NH2+]C(C)C)CC2)n1 ZINC000248746870 139174172 /nfs/dbraw/zinc/17/41/72/139174172.db2.gz NKTYFPPINFHQRD-AWEZNQCLSA-N 2 2 325.457 1.283 20 0 EDADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(CC[NH2+]C(C)C)CC2)n1 ZINC000248746870 139174173 /nfs/dbraw/zinc/17/41/73/139174173.db2.gz NKTYFPPINFHQRD-AWEZNQCLSA-N 2 2 325.457 1.283 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000261612935 139211000 /nfs/dbraw/zinc/21/10/00/139211000.db2.gz DXHCMHPUIXJDTC-AEFFLSMTSA-N 2 2 330.476 1.752 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]([NH3+])C3CCOCC3)c2)CC1 ZINC000261678321 139216775 /nfs/dbraw/zinc/21/67/75/139216775.db2.gz GTQOTWIFTAPXBG-GOSISDBHSA-N 2 2 346.475 1.126 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000261728471 139221077 /nfs/dbraw/zinc/22/10/77/139221077.db2.gz OAHZMLMGZXCPIB-MRXNPFEDSA-N 2 2 325.840 1.506 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000261728471 139221078 /nfs/dbraw/zinc/22/10/78/139221078.db2.gz OAHZMLMGZXCPIB-MRXNPFEDSA-N 2 2 325.840 1.506 20 0 EDADLP [NH3+]C[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000261770599 139224446 /nfs/dbraw/zinc/22/44/46/139224446.db2.gz WXUBSWSYVHCNGR-QGZVFWFLSA-N 2 2 340.427 1.277 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000261769491 139224559 /nfs/dbraw/zinc/22/45/59/139224559.db2.gz SAVHSIJQFYUYED-IBGZPJMESA-N 3 2 330.476 1.002 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000261769491 139224560 /nfs/dbraw/zinc/22/45/60/139224560.db2.gz SAVHSIJQFYUYED-IBGZPJMESA-N 3 2 330.476 1.002 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000261863097 139232263 /nfs/dbraw/zinc/23/22/63/139232263.db2.gz PWSXQEOUMFLTDL-OWCLPIDISA-N 2 2 346.475 1.701 20 0 EDADLP COc1ccc(CCC(=O)N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000261915494 139236535 /nfs/dbraw/zinc/23/65/35/139236535.db2.gz JUGKDSPRZRWBGB-SFHVURJKSA-N 2 2 345.487 1.772 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cnc(N)s2)CCC[NH+]1C ZINC000262075517 139248908 /nfs/dbraw/zinc/24/89/08/139248908.db2.gz CBJMFXVHLADNQE-SWLSCSKDSA-N 2 2 334.493 1.974 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cnc(N)s2)CCC[NH+]1C ZINC000262075517 139248909 /nfs/dbraw/zinc/24/89/09/139248909.db2.gz CBJMFXVHLADNQE-SWLSCSKDSA-N 2 2 334.493 1.974 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cnc(N)s2)CCC[N@@H+]1C ZINC000262075517 139248910 /nfs/dbraw/zinc/24/89/10/139248910.db2.gz CBJMFXVHLADNQE-SWLSCSKDSA-N 2 2 334.493 1.974 20 0 EDADLP C[NH+]1CCC(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000174651162 207041596 /nfs/dbraw/zinc/04/15/96/207041596.db2.gz JIYBPHANYCKLTN-GOSISDBHSA-N 2 2 331.460 1.206 20 0 EDADLP CCN1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@@H]1c1[nH]cc[nH+]1 ZINC000416036164 251051237 /nfs/dbraw/zinc/05/12/37/251051237.db2.gz XPVIYMBTCKXSPZ-GHMZBOCLSA-N 2 2 348.373 1.078 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000416220656 251060424 /nfs/dbraw/zinc/06/04/24/251060424.db2.gz JXSGITOUNYOQBQ-QGZVFWFLSA-N 2 2 331.460 1.660 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000175255157 207108061 /nfs/dbraw/zinc/10/80/61/207108061.db2.gz AMDGNHCMWZQXAL-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000175255157 207108064 /nfs/dbraw/zinc/10/80/64/207108064.db2.gz AMDGNHCMWZQXAL-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[NH+]1CCOCC1 ZINC000416831754 251111529 /nfs/dbraw/zinc/11/15/29/251111529.db2.gz UARCYSKFEUQREA-SHTZXODSSA-N 2 2 326.485 1.162 20 0 EDADLP [NH3+]CC1CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000416996570 251122751 /nfs/dbraw/zinc/12/27/51/251122751.db2.gz WZEJXSLNLXPQMJ-UHFFFAOYSA-N 2 2 331.464 1.952 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])[NH+]2CCOCC2)c1 ZINC000416999065 251124515 /nfs/dbraw/zinc/12/45/15/251124515.db2.gz PYFKYCHIEPHOSL-FUHWJXTLSA-N 2 2 348.491 1.795 20 0 EDADLP [NH3+]CC1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCOCC1 ZINC000262329029 139270618 /nfs/dbraw/zinc/27/06/18/139270618.db2.gz SCPLSXNHUZXGQP-UHFFFAOYSA-N 2 2 342.443 1.346 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000417463430 251177615 /nfs/dbraw/zinc/17/76/15/251177615.db2.gz CXOAGYMSVFAKAD-GHMZBOCLSA-N 2 2 333.358 1.857 20 0 EDADLP C[NH2+][C@@H](C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)c1cnn(C)c1 ZINC000262357200 139272861 /nfs/dbraw/zinc/27/28/61/139272861.db2.gz GXEJYWQUTUYGNC-GOSISDBHSA-N 2 2 341.459 1.333 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)ccc1F ZINC000417653846 251214494 /nfs/dbraw/zinc/21/44/94/251214494.db2.gz BPBYQYLDEHNMGY-KRWDZBQOSA-N 2 2 340.418 1.730 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417660864 251217807 /nfs/dbraw/zinc/21/78/07/251217807.db2.gz NXXVTQQJQSBEES-UGFHNGPFSA-N 2 2 340.418 1.865 20 0 EDADLP CN(C(=O)NCc1[nH+]ccn1CCCc1ccccc1)C1C[NH2+]C1 ZINC000417834106 251290467 /nfs/dbraw/zinc/29/04/67/251290467.db2.gz FKIOMMMAVKJYNL-UHFFFAOYSA-N 2 2 327.432 1.629 20 0 EDADLP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417839950 251294241 /nfs/dbraw/zinc/29/42/41/251294241.db2.gz KSQXAAJOXBGQBN-GOEBONIOSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH3+])[NH+]2CCOCC2)s1 ZINC000417842166 251294446 /nfs/dbraw/zinc/29/44/46/251294446.db2.gz XUWYSAOMDYWJMP-AAEUAGOBSA-N 2 2 326.466 1.076 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000417856432 251300396 /nfs/dbraw/zinc/30/03/96/251300396.db2.gz WMHXOGKVAHWRDP-HNNXBMFYSA-N 2 2 329.448 1.923 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)NC[C@H]1CC[NH2+]C1 ZINC000417857808 251301119 /nfs/dbraw/zinc/30/11/19/251301119.db2.gz YHODPPCGGXAVMA-KRWDZBQOSA-N 2 2 341.459 1.925 20 0 EDADLP CN(CC[NH+](C)C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000176370383 207221055 /nfs/dbraw/zinc/22/10/55/207221055.db2.gz YZVXSHOGOOSCAF-AWEZNQCLSA-N 2 2 328.407 1.771 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418201547 251356124 /nfs/dbraw/zinc/35/61/24/251356124.db2.gz BBKQODDJKIEGGF-GOSISDBHSA-N 2 2 346.475 1.410 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418201547 251356129 /nfs/dbraw/zinc/35/61/29/251356129.db2.gz BBKQODDJKIEGGF-GOSISDBHSA-N 2 2 346.475 1.410 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000418714794 251393585 /nfs/dbraw/zinc/39/35/85/251393585.db2.gz AWSSAWNUFNORLX-HUUCEWRRSA-N 2 2 344.450 1.891 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[N@@H+](C2CCC2)C1 ZINC000418716092 251394668 /nfs/dbraw/zinc/39/46/68/251394668.db2.gz BXKIZAUYJPRJNB-KGLIPLIRSA-N 2 2 344.450 1.747 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[N@H+](C2CCC2)C1 ZINC000418716092 251394674 /nfs/dbraw/zinc/39/46/74/251394674.db2.gz BXKIZAUYJPRJNB-KGLIPLIRSA-N 2 2 344.450 1.747 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418737810 251404002 /nfs/dbraw/zinc/40/40/02/251404002.db2.gz WDVCVGGWEXAZEX-GJZGRUSLSA-N 2 2 347.463 1.582 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000418625115 251380438 /nfs/dbraw/zinc/38/04/38/251380438.db2.gz ICGQSGNVWLUFSO-SWHYSGLUSA-N 2 2 341.431 1.111 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000418625115 251380443 /nfs/dbraw/zinc/38/04/43/251380443.db2.gz ICGQSGNVWLUFSO-SWHYSGLUSA-N 2 2 341.431 1.111 20 0 EDADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1COCC[NH2+]1 ZINC000262622974 139290864 /nfs/dbraw/zinc/29/08/64/139290864.db2.gz FJCWQBVIELSJFD-MRXNPFEDSA-N 2 2 326.400 1.813 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC([NH3+])(CC)CC ZINC000420082374 251590691 /nfs/dbraw/zinc/59/06/91/251590691.db2.gz QDKTTYGDAHOZLN-CQSZACIVSA-N 2 2 349.479 1.590 20 0 EDADLP COc1ccc(NC(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000177384967 207329444 /nfs/dbraw/zinc/32/94/44/207329444.db2.gz OKQTVTVDYLFVOI-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP COc1ccc(NC(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000177384967 207329446 /nfs/dbraw/zinc/32/94/46/207329446.db2.gz OKQTVTVDYLFVOI-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP COc1ccc(NC(=O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000177384967 207329449 /nfs/dbraw/zinc/32/94/49/207329449.db2.gz OKQTVTVDYLFVOI-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000177384967 207329452 /nfs/dbraw/zinc/32/94/52/207329452.db2.gz OKQTVTVDYLFVOI-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262841317 139307201 /nfs/dbraw/zinc/30/72/01/139307201.db2.gz TYRGWTQKAVCCRQ-CQSZACIVSA-N 2 2 337.387 1.641 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000422868548 252005602 /nfs/dbraw/zinc/00/56/02/252005602.db2.gz VLSLIOSSXHFAJY-QYZOEREBSA-N 2 2 346.519 1.554 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262895022 139311131 /nfs/dbraw/zinc/31/11/31/139311131.db2.gz OZEBEWCTJYYBRB-INMHGKMJSA-N 2 2 348.466 1.593 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000422898109 252014914 /nfs/dbraw/zinc/01/49/14/252014914.db2.gz LDFYXGKDGZNUAY-OALUTQOASA-N 2 2 345.487 1.843 20 0 EDADLP COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)C2)c1 ZINC000422896947 252015410 /nfs/dbraw/zinc/01/54/10/252015410.db2.gz BADNRFLOIOBXCT-GVDBMIGSSA-N 2 2 333.476 1.878 20 0 EDADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CC[NH2+]C1 ZINC000423154275 252039894 /nfs/dbraw/zinc/03/98/94/252039894.db2.gz JFPICOHOTZKHLY-JSGCOSHPSA-N 2 2 327.266 1.860 20 0 EDADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)cc2C1 ZINC000423514983 252057909 /nfs/dbraw/zinc/05/79/09/252057909.db2.gz SMEGQMNOQOBWNM-KDOFPFPSSA-N 2 2 344.459 1.480 20 0 EDADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)cc2C1 ZINC000423514983 252057914 /nfs/dbraw/zinc/05/79/14/252057914.db2.gz SMEGQMNOQOBWNM-KDOFPFPSSA-N 2 2 344.459 1.480 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423524420 252059925 /nfs/dbraw/zinc/05/99/25/252059925.db2.gz OOLKERXFKRERIC-WFASDCNBSA-N 2 2 327.450 1.087 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913232 252019604 /nfs/dbraw/zinc/01/96/04/252019604.db2.gz POTPRRGNJNPDDM-LPHOPBHVSA-N 3 2 344.503 1.600 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000423932147 252105756 /nfs/dbraw/zinc/10/57/56/252105756.db2.gz RNOLOFNAPDDHIZ-LBPRGKRZSA-N 2 2 327.388 1.249 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424292900 252192067 /nfs/dbraw/zinc/19/20/67/252192067.db2.gz OQVVYSIRTCLYJM-VXGBXAGGSA-N 2 2 325.434 1.723 20 0 EDADLP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263108974 139322772 /nfs/dbraw/zinc/32/27/72/139322772.db2.gz ACSKNEACJFLYPR-ZDUSSCGKSA-N 2 2 331.407 1.135 20 0 EDADLP Cc1nc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490076164 255077975 /nfs/dbraw/zinc/07/79/75/255077975.db2.gz NJFDKASUZLRXMN-INIZCTEOSA-N 2 2 326.448 1.957 20 0 EDADLP Cc1nc(N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490076164 255077976 /nfs/dbraw/zinc/07/79/76/255077976.db2.gz NJFDKASUZLRXMN-INIZCTEOSA-N 2 2 326.448 1.957 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000493116344 255192175 /nfs/dbraw/zinc/19/21/75/255192175.db2.gz BDKFFEMTGYUVCH-SQRWCISFSA-N 2 2 332.448 1.487 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000494196407 255242015 /nfs/dbraw/zinc/24/20/15/255242015.db2.gz WRDWRJUQCMWKKA-DLBZAZTESA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000494196407 255242016 /nfs/dbraw/zinc/24/20/16/255242016.db2.gz WRDWRJUQCMWKKA-DLBZAZTESA-N 2 2 336.480 1.119 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000494469277 255251878 /nfs/dbraw/zinc/25/18/78/255251878.db2.gz DFEMXBFNMGRBER-SJLPKXTDSA-N 2 2 343.471 1.349 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000494469277 255251879 /nfs/dbraw/zinc/25/18/79/255251879.db2.gz DFEMXBFNMGRBER-SJLPKXTDSA-N 2 2 343.471 1.349 20 0 EDADLP CN1C[C@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)OC1=O ZINC000495793265 255326599 /nfs/dbraw/zinc/32/65/99/255326599.db2.gz IPLSATDSVABSQE-KRWDZBQOSA-N 2 2 332.448 1.471 20 0 EDADLP CN1C[C@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)OC1=O ZINC000495793265 255326600 /nfs/dbraw/zinc/32/66/00/255326600.db2.gz IPLSATDSVABSQE-KRWDZBQOSA-N 2 2 332.448 1.471 20 0 EDADLP CC[C@@H]1CN(C(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1CCOC ZINC000117305949 221050470 /nfs/dbraw/zinc/05/04/70/221050470.db2.gz UBHDAZWPBKADGT-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP CC[C@@H]1CN(C(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1CCOC ZINC000117305949 221050472 /nfs/dbraw/zinc/05/04/72/221050472.db2.gz UBHDAZWPBKADGT-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC[NH+]1CCOC ZINC000117305949 221050474 /nfs/dbraw/zinc/05/04/74/221050474.db2.gz UBHDAZWPBKADGT-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1CCOC ZINC000117305949 221050476 /nfs/dbraw/zinc/05/04/76/221050476.db2.gz UBHDAZWPBKADGT-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000264215409 139387542 /nfs/dbraw/zinc/38/75/42/139387542.db2.gz NKSBDBYNJGYIQL-WBVHZDCISA-N 2 2 333.501 1.814 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000264215409 139387543 /nfs/dbraw/zinc/38/75/43/139387543.db2.gz NKSBDBYNJGYIQL-WBVHZDCISA-N 2 2 333.501 1.814 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000264812366 139437393 /nfs/dbraw/zinc/43/73/93/139437393.db2.gz GMBFHAQHNCTGDI-UHFFFAOYSA-N 2 2 345.472 1.720 20 0 EDADLP CS[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1[NH+](C)C ZINC000270439980 140100697 /nfs/dbraw/zinc/10/06/97/140100697.db2.gz HTRCIFOBVGPERY-UONOGXRCSA-N 2 2 331.445 1.385 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000270827013 140177771 /nfs/dbraw/zinc/17/77/71/140177771.db2.gz KQCKNPGBHZFPNU-UHFFFAOYSA-N 2 2 334.445 1.621 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000270827013 140177773 /nfs/dbraw/zinc/17/77/73/140177773.db2.gz KQCKNPGBHZFPNU-UHFFFAOYSA-N 2 2 334.445 1.621 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000270986899 140214225 /nfs/dbraw/zinc/21/42/25/140214225.db2.gz WMDJIFOCIACZNW-CQSZACIVSA-N 2 2 348.447 1.094 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271137256 140244070 /nfs/dbraw/zinc/24/40/70/140244070.db2.gz UJLYIYOFNQVGSA-OAHLLOKOSA-N 2 2 344.463 1.668 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271137256 140244072 /nfs/dbraw/zinc/24/40/72/140244072.db2.gz UJLYIYOFNQVGSA-OAHLLOKOSA-N 2 2 344.463 1.668 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H](C)O1 ZINC000271321519 140278031 /nfs/dbraw/zinc/27/80/31/140278031.db2.gz OQQGZARABOBBMP-HUUCEWRRSA-N 2 2 343.431 1.496 20 0 EDADLP C[C@]1(CO)CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000331462097 141033527 /nfs/dbraw/zinc/03/35/27/141033527.db2.gz NMIGHFXMDLRESL-QFBILLFUSA-N 2 2 346.475 1.261 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000331903240 141095949 /nfs/dbraw/zinc/09/59/49/141095949.db2.gz LYMYHPFWMNMDTE-HNNXBMFYSA-N 2 2 328.416 1.319 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000331993190 141107855 /nfs/dbraw/zinc/10/78/55/141107855.db2.gz VFIYEBPHFOBJHD-HNNXBMFYSA-N 2 2 328.416 1.319 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000331993190 141107856 /nfs/dbraw/zinc/10/78/56/141107856.db2.gz VFIYEBPHFOBJHD-HNNXBMFYSA-N 2 2 328.416 1.319 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333124763 141267903 /nfs/dbraw/zinc/26/79/03/141267903.db2.gz AYRQAXXGLBQGFE-QKPAOTATSA-N 2 2 329.448 1.348 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](O)C23CCCC3)CC1 ZINC000333599297 141342675 /nfs/dbraw/zinc/34/26/75/141342675.db2.gz MGHWPIAUCSHMHZ-MRXNPFEDSA-N 2 2 338.496 1.101 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)s1 ZINC000333630125 141347526 /nfs/dbraw/zinc/34/75/26/141347526.db2.gz GMKAUIQQZDWLST-CQSZACIVSA-N 2 2 337.493 1.421 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333683745 141356721 /nfs/dbraw/zinc/35/67/21/141356721.db2.gz PBIURRYMQHFADV-PBHICJAKSA-N 2 2 348.495 1.005 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000333691386 141358946 /nfs/dbraw/zinc/35/89/46/141358946.db2.gz CNWWZCBIEZTJLN-LJQANCHMSA-N 2 2 345.491 1.889 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000333691386 141358947 /nfs/dbraw/zinc/35/89/47/141358947.db2.gz CNWWZCBIEZTJLN-LJQANCHMSA-N 2 2 345.491 1.889 20 0 EDADLP C[C@@H](Cc1ccncc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340249570 142319147 /nfs/dbraw/zinc/31/91/47/142319147.db2.gz BQZPLSGJHUTFCY-HNNXBMFYSA-N 2 2 333.480 1.338 20 0 EDADLP CS[C@H]1CCC[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000340254137 142320974 /nfs/dbraw/zinc/32/09/74/142320974.db2.gz SOGHPDSMGNTGKY-HOCLYGCPSA-N 2 2 342.553 1.986 20 0 EDADLP CCc1ncnc(CC)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340300205 142334755 /nfs/dbraw/zinc/33/47/55/142334755.db2.gz JTOAPNGUUZMHJC-UHFFFAOYSA-N 2 2 347.507 1.699 20 0 EDADLP CCc1ncnc(CC)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340300205 142334757 /nfs/dbraw/zinc/33/47/57/142334757.db2.gz JTOAPNGUUZMHJC-UHFFFAOYSA-N 2 2 347.507 1.699 20 0 EDADLP CCCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)C1CC[NH2+]CC1 ZINC000572480910 306590522 /nfs/dbraw/zinc/59/05/22/306590522.db2.gz DDTVRDOVEDDETF-UHFFFAOYSA-N 2 2 347.507 1.623 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3C(F)F)CC2)CC1 ZINC000344708934 143001284 /nfs/dbraw/zinc/00/12/84/143001284.db2.gz LFIGWHJVZJJBFX-HNNXBMFYSA-N 2 2 344.450 1.984 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)C[C@H]1C ZINC000345091001 143048988 /nfs/dbraw/zinc/04/89/88/143048988.db2.gz MDDKRYKBEKQARF-GVDBMIGSSA-N 2 2 346.475 1.333 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)C[C@H]1C ZINC000345091001 143048989 /nfs/dbraw/zinc/04/89/89/143048989.db2.gz MDDKRYKBEKQARF-GVDBMIGSSA-N 2 2 346.475 1.333 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000345121252 143053033 /nfs/dbraw/zinc/05/30/33/143053033.db2.gz SCMFIFIDTQAZBF-GVDBMIGSSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000345121252 143053034 /nfs/dbraw/zinc/05/30/34/143053034.db2.gz SCMFIFIDTQAZBF-GVDBMIGSSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000345357262 143081855 /nfs/dbraw/zinc/08/18/55/143081855.db2.gz RXCIPRYZQRCMGJ-SZNINPNASA-N 2 2 335.492 1.571 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000345357262 143081856 /nfs/dbraw/zinc/08/18/56/143081856.db2.gz RXCIPRYZQRCMGJ-SZNINPNASA-N 2 2 335.492 1.571 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345391930 143085673 /nfs/dbraw/zinc/08/56/73/143085673.db2.gz DVLXSSJKBCGSDX-HUUCEWRRSA-N 2 2 344.459 1.912 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000345829951 143137737 /nfs/dbraw/zinc/13/77/37/143137737.db2.gz AOCXPVHMVTYWBW-TWMKSMIVSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000345829951 143137738 /nfs/dbraw/zinc/13/77/38/143137738.db2.gz AOCXPVHMVTYWBW-TWMKSMIVSA-N 2 2 328.460 1.897 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000346204269 143178643 /nfs/dbraw/zinc/17/86/43/143178643.db2.gz ZGJRMNMKEXMPTH-UHFFFAOYSA-N 2 2 334.445 1.473 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000346204269 143178644 /nfs/dbraw/zinc/17/86/44/143178644.db2.gz ZGJRMNMKEXMPTH-UHFFFAOYSA-N 2 2 334.445 1.473 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000346244003 143182858 /nfs/dbraw/zinc/18/28/58/143182858.db2.gz UGUKTIDAEJDAQN-CRAIPNDOSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000346244003 143182859 /nfs/dbraw/zinc/18/28/59/143182859.db2.gz UGUKTIDAEJDAQN-CRAIPNDOSA-N 2 2 331.460 1.347 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000346455386 143206605 /nfs/dbraw/zinc/20/66/05/143206605.db2.gz UUPABKCYPXHOLF-HZPDHXFCSA-N 2 2 331.464 1.704 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000346455386 143206606 /nfs/dbraw/zinc/20/66/06/143206606.db2.gz UUPABKCYPXHOLF-HZPDHXFCSA-N 2 2 331.464 1.704 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCO1 ZINC000346663060 143228449 /nfs/dbraw/zinc/22/84/49/143228449.db2.gz WFGYSBZHDDSLBJ-ZACQAIPSSA-N 2 2 346.475 1.381 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCO1 ZINC000346663060 143228450 /nfs/dbraw/zinc/22/84/50/143228450.db2.gz WFGYSBZHDDSLBJ-ZACQAIPSSA-N 2 2 346.475 1.381 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H](CC)[C@@H]([NH+]2CCOCC2)C1)[NH+](CC)CC ZINC000346937217 143263579 /nfs/dbraw/zinc/26/35/79/143263579.db2.gz JYMUBWQZNSKCDR-IKGGRYGDSA-N 2 2 325.497 1.676 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000347200502 143294213 /nfs/dbraw/zinc/29/42/13/143294213.db2.gz JLQQJZWBWNPKDK-UHFFFAOYSA-N 2 2 334.464 1.381 20 0 EDADLP C[C@@H](CO)[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCCC1 ZINC000347207936 143294902 /nfs/dbraw/zinc/29/49/02/143294902.db2.gz SOGUDQZPCRFYOM-INIZCTEOSA-N 2 2 349.475 1.549 20 0 EDADLP C[C@@H](CO)[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCCC1 ZINC000347207936 143294903 /nfs/dbraw/zinc/29/49/03/143294903.db2.gz SOGUDQZPCRFYOM-INIZCTEOSA-N 2 2 349.475 1.549 20 0 EDADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000347248258 143300127 /nfs/dbraw/zinc/30/01/27/143300127.db2.gz XUXWKLXCTVEYGD-FUHWJXTLSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000347248258 143300128 /nfs/dbraw/zinc/30/01/28/143300128.db2.gz XUXWKLXCTVEYGD-FUHWJXTLSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000347248258 143300129 /nfs/dbraw/zinc/30/01/29/143300129.db2.gz XUXWKLXCTVEYGD-FUHWJXTLSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](CO)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000347248258 143300130 /nfs/dbraw/zinc/30/01/30/143300130.db2.gz XUXWKLXCTVEYGD-FUHWJXTLSA-N 2 2 331.460 1.176 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC[N@@H+]([C@@H](C)CO)CC3)ccc2[nH+]1 ZINC000347516561 143331327 /nfs/dbraw/zinc/33/13/27/143331327.db2.gz LQNPOPBVWKHGJG-AWEZNQCLSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC[N@H+]([C@@H](C)CO)CC3)ccc2[nH+]1 ZINC000347516561 143331328 /nfs/dbraw/zinc/33/13/28/143331328.db2.gz LQNPOPBVWKHGJG-AWEZNQCLSA-N 2 2 331.420 1.563 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(Cc3ncc(C[NH+](C)C)s3)C2)CC1 ZINC000347791361 143363747 /nfs/dbraw/zinc/36/37/47/143363747.db2.gz VQPKIVYVINIKRS-HNNXBMFYSA-N 2 2 337.537 1.417 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ncc(C[NH+](C)C)s3)C2)CC1 ZINC000347791361 143363748 /nfs/dbraw/zinc/36/37/48/143363748.db2.gz VQPKIVYVINIKRS-HNNXBMFYSA-N 3 2 337.537 1.417 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)CC1 ZINC000347791361 143363749 /nfs/dbraw/zinc/36/37/49/143363749.db2.gz VQPKIVYVINIKRS-HNNXBMFYSA-N 3 2 337.537 1.417 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000572732456 306598030 /nfs/dbraw/zinc/59/80/30/306598030.db2.gz DFSPGDKYXRYQKF-UHFFFAOYSA-N 2 2 344.341 1.134 20 0 EDADLP CCC[C@H](CCO)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369850498 155203547 /nfs/dbraw/zinc/20/35/47/155203547.db2.gz GXOHZGYRLPLKHR-HZPDHXFCSA-N 2 2 340.512 1.253 20 0 EDADLP CCC[C@H](CCO)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369850498 155203554 /nfs/dbraw/zinc/20/35/54/155203554.db2.gz GXOHZGYRLPLKHR-HZPDHXFCSA-N 2 2 340.512 1.253 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000416893905 304353909 /nfs/dbraw/zinc/35/39/09/304353909.db2.gz YBNODLOWIMLPDB-QZTJIDSGSA-N 2 2 346.475 1.501 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416894450 304354054 /nfs/dbraw/zinc/35/40/54/304354054.db2.gz QPBVEQQQFLSPFP-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP COCC[NH2+]CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416900973 304354639 /nfs/dbraw/zinc/35/46/39/304354639.db2.gz AEVOUPAYSYBOJP-OAHLLOKOSA-N 2 2 349.410 1.184 20 0 EDADLP CCC[C@](C)(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000352757877 149152399 /nfs/dbraw/zinc/15/23/99/149152399.db2.gz LIGRDOXSIGDSPV-SFHVURJKSA-N 2 2 340.512 1.395 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000369923889 155234133 /nfs/dbraw/zinc/23/41/33/155234133.db2.gz AKUSXEMSVRUNQK-HOTGVXAUSA-N 2 2 343.537 1.241 20 0 EDADLP CC1(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[NH2+]CC1 ZINC000416973661 304358630 /nfs/dbraw/zinc/35/86/30/304358630.db2.gz JMYVNXXJAGDETP-UHFFFAOYSA-N 2 2 331.464 1.871 20 0 EDADLP CCn1cc(C[N@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354926251 150035371 /nfs/dbraw/zinc/03/53/71/150035371.db2.gz QLMGGKBIDJQOCT-HZPDHXFCSA-N 2 2 334.443 1.681 20 0 EDADLP CCn1cc(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354926251 150035373 /nfs/dbraw/zinc/03/53/73/150035373.db2.gz QLMGGKBIDJQOCT-HZPDHXFCSA-N 2 2 334.443 1.681 20 0 EDADLP CC(C)n1nccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354947932 150048764 /nfs/dbraw/zinc/04/87/64/150048764.db2.gz HFMNKBIAEYIIFY-OAHLLOKOSA-N 2 2 333.480 1.705 20 0 EDADLP CC(C)n1nccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354947932 150048767 /nfs/dbraw/zinc/04/87/67/150048767.db2.gz HFMNKBIAEYIIFY-OAHLLOKOSA-N 2 2 333.480 1.705 20 0 EDADLP CCC[NH2+]CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416981937 304361023 /nfs/dbraw/zinc/36/10/23/304361023.db2.gz HONSGKGQPPDOIO-GJZGRUSLSA-N 2 2 349.479 1.494 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000355072943 150104733 /nfs/dbraw/zinc/10/47/33/150104733.db2.gz QXEFPJUHOLJJSI-OAHLLOKOSA-N 2 2 335.448 1.078 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000355072943 150104736 /nfs/dbraw/zinc/10/47/36/150104736.db2.gz QXEFPJUHOLJJSI-OAHLLOKOSA-N 2 2 335.448 1.078 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCSC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355088958 150111522 /nfs/dbraw/zinc/11/15/22/150111522.db2.gz PCWPVUKBHFNLIY-KBPBESRZSA-N 2 2 326.510 1.302 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCSC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355088958 150111525 /nfs/dbraw/zinc/11/15/25/150111525.db2.gz PCWPVUKBHFNLIY-KBPBESRZSA-N 2 2 326.510 1.302 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)ccc2n1C ZINC000573665481 306628584 /nfs/dbraw/zinc/62/85/84/306628584.db2.gz CBUWJJSKNSRDFC-AAEUAGOBSA-N 2 2 343.431 1.406 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000355400113 150254081 /nfs/dbraw/zinc/25/40/81/150254081.db2.gz REGWMVWWZSLZBN-NSHDSACASA-N 2 2 333.358 1.681 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000355400113 150254083 /nfs/dbraw/zinc/25/40/83/150254083.db2.gz REGWMVWWZSLZBN-NSHDSACASA-N 2 2 333.358 1.681 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417030466 304362504 /nfs/dbraw/zinc/36/25/04/304362504.db2.gz GFWBUGFEEQJVGQ-IAGOWNOFSA-N 2 2 334.464 1.342 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000355482042 150287575 /nfs/dbraw/zinc/28/75/75/150287575.db2.gz PCMGNHNVAWRTNC-OAHLLOKOSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000355482042 150287577 /nfs/dbraw/zinc/28/75/77/150287577.db2.gz PCMGNHNVAWRTNC-OAHLLOKOSA-N 2 2 331.464 1.917 20 0 EDADLP Cc1nc(N2CCC(CCC[NH+]3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000355565103 150316191 /nfs/dbraw/zinc/31/61/91/150316191.db2.gz LJXGDMCOTLKVFO-UHFFFAOYSA-N 2 2 348.495 1.575 20 0 EDADLP Cc1nc(N(C)C)nc(N2CCC(CCC[NH+]3CCOCC3)CC2)[nH+]1 ZINC000355565103 150316194 /nfs/dbraw/zinc/31/61/94/150316194.db2.gz LJXGDMCOTLKVFO-UHFFFAOYSA-N 2 2 348.495 1.575 20 0 EDADLP O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000355612939 150336087 /nfs/dbraw/zinc/33/60/87/150336087.db2.gz VXBBMOWVSWMIJG-QGZVFWFLSA-N 2 2 335.492 1.576 20 0 EDADLP CSC1(CNc2cc(N3CCOCC3)[nH+]cn2)CC[NH+](C)CC1 ZINC000357551102 151064999 /nfs/dbraw/zinc/06/49/99/151064999.db2.gz SAXVEHNTVBTHAW-UHFFFAOYSA-N 2 2 337.493 1.553 20 0 EDADLP CSC1(CNc2cc(N3CCOCC3)nc[nH+]2)CC[NH+](C)CC1 ZINC000357551102 151065001 /nfs/dbraw/zinc/06/50/01/151065001.db2.gz SAXVEHNTVBTHAW-UHFFFAOYSA-N 2 2 337.493 1.553 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000357575670 151071601 /nfs/dbraw/zinc/07/16/01/151071601.db2.gz BLPPYUGBGVOEJD-ZIAGYGMSSA-N 2 2 327.469 1.249 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000357575670 151071602 /nfs/dbraw/zinc/07/16/02/151071602.db2.gz BLPPYUGBGVOEJD-ZIAGYGMSSA-N 2 2 327.469 1.249 20 0 EDADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644389 151098678 /nfs/dbraw/zinc/09/86/78/151098678.db2.gz DJNHSBLAERTJGN-UHFFFAOYSA-N 2 2 347.503 1.812 20 0 EDADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644389 151098680 /nfs/dbraw/zinc/09/86/80/151098680.db2.gz DJNHSBLAERTJGN-UHFFFAOYSA-N 2 2 347.503 1.812 20 0 EDADLP C[N@H+](C[C@H](O)COCc1ccccc1F)C1CC[NH+](CCO)CC1 ZINC000357722578 151125560 /nfs/dbraw/zinc/12/55/60/151125560.db2.gz KACRBHGDOLWYOH-KRWDZBQOSA-N 2 2 340.439 1.092 20 0 EDADLP C[N@@H+](C[C@H](O)COCc1ccccc1F)C1CC[NH+](CCO)CC1 ZINC000357722578 151125564 /nfs/dbraw/zinc/12/55/64/151125564.db2.gz KACRBHGDOLWYOH-KRWDZBQOSA-N 2 2 340.439 1.092 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000358020907 151236932 /nfs/dbraw/zinc/23/69/32/151236932.db2.gz MXAYDAKDFBAGAD-VBQJREDUSA-N 2 2 339.505 1.928 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000358020907 151236935 /nfs/dbraw/zinc/23/69/35/151236935.db2.gz MXAYDAKDFBAGAD-VBQJREDUSA-N 2 2 339.505 1.928 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000358104547 151272144 /nfs/dbraw/zinc/27/21/44/151272144.db2.gz ZLLVZLMBAYKGDK-HOTGVXAUSA-N 2 2 349.479 1.141 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000358104547 151272147 /nfs/dbraw/zinc/27/21/47/151272147.db2.gz ZLLVZLMBAYKGDK-HOTGVXAUSA-N 2 2 349.479 1.141 20 0 EDADLP O=S(=O)(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000358290380 151327962 /nfs/dbraw/zinc/32/79/62/151327962.db2.gz RCQOYRHQKLIYKP-CABCVRRESA-N 2 2 326.437 1.816 20 0 EDADLP O=S(=O)(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000358290380 151327963 /nfs/dbraw/zinc/32/79/63/151327963.db2.gz RCQOYRHQKLIYKP-CABCVRRESA-N 2 2 326.437 1.816 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000358420682 151369300 /nfs/dbraw/zinc/36/93/00/151369300.db2.gz KMERCDAZEIXHAI-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000358420682 151369304 /nfs/dbraw/zinc/36/93/04/151369304.db2.gz KMERCDAZEIXHAI-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(C)(C)O ZINC000358452342 151380757 /nfs/dbraw/zinc/38/07/57/151380757.db2.gz PLAIQTBMNDUADW-UHFFFAOYSA-N 2 2 339.505 1.485 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(C)(C)O ZINC000358452342 151380760 /nfs/dbraw/zinc/38/07/60/151380760.db2.gz PLAIQTBMNDUADW-UHFFFAOYSA-N 2 2 339.505 1.485 20 0 EDADLP O=C(N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000360551027 152091281 /nfs/dbraw/zinc/09/12/81/152091281.db2.gz RFBYTBBWNKIXRR-WMZOPIPTSA-N 2 2 347.503 1.717 20 0 EDADLP O=C(N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000360551027 152091283 /nfs/dbraw/zinc/09/12/83/152091283.db2.gz RFBYTBBWNKIXRR-WMZOPIPTSA-N 2 2 347.503 1.717 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567494 152099970 /nfs/dbraw/zinc/09/99/70/152099970.db2.gz FQUKCNXMXVIWEM-LJQANCHMSA-N 2 2 331.460 1.484 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567494 152099971 /nfs/dbraw/zinc/09/99/71/152099971.db2.gz FQUKCNXMXVIWEM-LJQANCHMSA-N 2 2 331.460 1.484 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(F)cc1 ZINC000360775885 152199216 /nfs/dbraw/zinc/19/92/16/152199216.db2.gz NDVIMNCXJCAAEB-HOTGVXAUSA-N 2 2 331.395 1.767 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(F)cc1 ZINC000360775885 152199218 /nfs/dbraw/zinc/19/92/18/152199218.db2.gz NDVIMNCXJCAAEB-HOTGVXAUSA-N 2 2 331.395 1.767 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000360893455 152243550 /nfs/dbraw/zinc/24/35/50/152243550.db2.gz DVTAYGJJUFOERB-RDJZCZTQSA-N 2 2 333.480 1.330 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000360893455 152243553 /nfs/dbraw/zinc/24/35/53/152243553.db2.gz DVTAYGJJUFOERB-RDJZCZTQSA-N 2 2 333.480 1.330 20 0 EDADLP C[C@]1(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)NC(=O)NC1=O ZINC000361032998 152285036 /nfs/dbraw/zinc/28/50/36/152285036.db2.gz RNWOVGCXWKQVAH-QGZVFWFLSA-N 2 2 327.388 1.144 20 0 EDADLP COCC[NH+]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000361096661 152302712 /nfs/dbraw/zinc/30/27/12/152302712.db2.gz MLFZQCXGJVCJKA-UHFFFAOYSA-N 2 2 343.431 1.346 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2nncn2C)C(C)C)CC1 ZINC000361120397 152310851 /nfs/dbraw/zinc/31/08/51/152310851.db2.gz BIRMXPTWDSUHGF-INIZCTEOSA-N 2 2 337.468 1.519 20 0 EDADLP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000361364584 152372927 /nfs/dbraw/zinc/37/29/27/152372927.db2.gz BRNJVAWLCFGLJB-WMZOPIPTSA-N 2 2 328.460 1.600 20 0 EDADLP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000361364584 152372929 /nfs/dbraw/zinc/37/29/29/152372929.db2.gz BRNJVAWLCFGLJB-WMZOPIPTSA-N 2 2 328.460 1.600 20 0 EDADLP c1ccc(C[NH+]2CCO[C@@H]3CN(CC[N@@H+]4CCCOCC4)C[C@@H]32)cc1 ZINC000361381352 152377850 /nfs/dbraw/zinc/37/78/50/152377850.db2.gz NBPFLLNRSDSWGW-VQTJNVASSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[NH+]2CCO[C@@H]3CN(CC[N@H+]4CCCOCC4)C[C@@H]32)cc1 ZINC000361381352 152377853 /nfs/dbraw/zinc/37/78/53/152377853.db2.gz NBPFLLNRSDSWGW-VQTJNVASSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H]3CN(CC[NH+]4CCCOCC4)C[C@@H]32)cc1 ZINC000361381352 152377854 /nfs/dbraw/zinc/37/78/54/152377854.db2.gz NBPFLLNRSDSWGW-VQTJNVASSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H]3CN(CC[NH+]4CCCOCC4)C[C@@H]32)cc1 ZINC000361381352 152377855 /nfs/dbraw/zinc/37/78/55/152377855.db2.gz NBPFLLNRSDSWGW-VQTJNVASSA-N 2 2 345.487 1.294 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CCCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000370165326 155358164 /nfs/dbraw/zinc/35/81/64/155358164.db2.gz VNPCBWAHICTSLZ-HOTGVXAUSA-N 2 2 346.475 1.943 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000370173883 155362577 /nfs/dbraw/zinc/36/25/77/155362577.db2.gz OZDSTDNXIUOBAR-OAHLLOKOSA-N 2 2 337.468 1.055 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000370173883 155362579 /nfs/dbraw/zinc/36/25/79/155362579.db2.gz OZDSTDNXIUOBAR-OAHLLOKOSA-N 2 2 337.468 1.055 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000417175148 304380354 /nfs/dbraw/zinc/38/03/54/304380354.db2.gz JJEBCJSGQFRVQR-FUHWJXTLSA-N 2 2 346.475 1.359 20 0 EDADLP COC(=O)CNC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000370191916 155371218 /nfs/dbraw/zinc/37/12/18/155371218.db2.gz OEHCTGMVIINHMU-RDJZCZTQSA-N 2 2 347.459 1.118 20 0 EDADLP COC(=O)CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000370191916 155371221 /nfs/dbraw/zinc/37/12/21/155371221.db2.gz OEHCTGMVIINHMU-RDJZCZTQSA-N 2 2 347.459 1.118 20 0 EDADLP COC(=O)CNC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000370191916 155371223 /nfs/dbraw/zinc/37/12/23/155371223.db2.gz OEHCTGMVIINHMU-RDJZCZTQSA-N 2 2 347.459 1.118 20 0 EDADLP COC(=O)CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000370191916 155371224 /nfs/dbraw/zinc/37/12/24/155371224.db2.gz OEHCTGMVIINHMU-RDJZCZTQSA-N 2 2 347.459 1.118 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363723684 153039336 /nfs/dbraw/zinc/03/93/36/153039336.db2.gz WXRARUGPYAWGLW-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3csc4nccn34)C2)CC1 ZINC000363761301 153048448 /nfs/dbraw/zinc/04/84/48/153048448.db2.gz BMTZNPUXASGWFD-ZDUSSCGKSA-N 2 2 347.488 1.223 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3csc4nccn34)C2)CC1 ZINC000363761301 153048449 /nfs/dbraw/zinc/04/84/49/153048449.db2.gz BMTZNPUXASGWFD-ZDUSSCGKSA-N 2 2 347.488 1.223 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000364060527 153136353 /nfs/dbraw/zinc/13/63/53/153136353.db2.gz VSTTXJVFBQTLFN-IEBWSBKVSA-N 3 2 349.523 1.308 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000364060527 153136356 /nfs/dbraw/zinc/13/63/56/153136356.db2.gz VSTTXJVFBQTLFN-IEBWSBKVSA-N 3 2 349.523 1.308 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000364060527 153136360 /nfs/dbraw/zinc/13/63/60/153136360.db2.gz VSTTXJVFBQTLFN-IEBWSBKVSA-N 3 2 349.523 1.308 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000364060527 153136362 /nfs/dbraw/zinc/13/63/62/153136362.db2.gz VSTTXJVFBQTLFN-IEBWSBKVSA-N 3 2 349.523 1.308 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364077354 153139563 /nfs/dbraw/zinc/13/95/63/153139563.db2.gz YRODVISZQPPBSH-MSOLQXFVSA-N 2 2 345.443 1.705 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364077354 153139564 /nfs/dbraw/zinc/13/95/64/153139564.db2.gz YRODVISZQPPBSH-MSOLQXFVSA-N 2 2 345.443 1.705 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000364232152 153180971 /nfs/dbraw/zinc/18/09/71/153180971.db2.gz VSNDZQZWJAKYHK-MRXNPFEDSA-N 2 2 334.439 1.793 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000364232152 153180974 /nfs/dbraw/zinc/18/09/74/153180974.db2.gz VSNDZQZWJAKYHK-MRXNPFEDSA-N 2 2 334.439 1.793 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000364392203 153224832 /nfs/dbraw/zinc/22/48/32/153224832.db2.gz YLNMPKTYMZKWHU-INIZCTEOSA-N 2 2 342.443 1.702 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000364734454 153319131 /nfs/dbraw/zinc/31/91/31/153319131.db2.gz KRCYBVFXGXVIHM-JCKWVBRZSA-N 2 2 332.448 1.532 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000364829310 153345748 /nfs/dbraw/zinc/34/57/48/153345748.db2.gz JDDWTRZFPCABSE-UHFFFAOYSA-N 2 2 335.492 1.622 20 0 EDADLP Cc1n[nH]c(C)c1NC(=O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000364900707 153364710 /nfs/dbraw/zinc/36/47/10/153364710.db2.gz OJRSXRRMHNQWID-UHFFFAOYSA-N 2 2 349.479 1.399 20 0 EDADLP C[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[NH+]1CCSCC1 ZINC000364932572 153374577 /nfs/dbraw/zinc/37/45/77/153374577.db2.gz HIZGZSZMUCCDIC-HNNXBMFYSA-N 2 2 334.489 1.558 20 0 EDADLP COCCCN(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364998521 153394430 /nfs/dbraw/zinc/39/44/30/153394430.db2.gz SUJWVRWXNSLIFM-OAHLLOKOSA-N 2 2 326.485 1.175 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000367207711 154042178 /nfs/dbraw/zinc/04/21/78/154042178.db2.gz DKJPQGMGXINKRK-DOTOQJQBSA-N 2 2 332.448 1.743 20 0 EDADLP COc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000367371003 154093190 /nfs/dbraw/zinc/09/31/90/154093190.db2.gz IGLMFGOSVVRNJT-QGZVFWFLSA-N 2 2 331.460 1.476 20 0 EDADLP COc1ccc(C[C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000367371003 154093194 /nfs/dbraw/zinc/09/31/94/154093194.db2.gz IGLMFGOSVVRNJT-QGZVFWFLSA-N 2 2 331.460 1.476 20 0 EDADLP COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000367814055 154281233 /nfs/dbraw/zinc/28/12/33/154281233.db2.gz JJGHKCISFDFOII-KRWDZBQOSA-N 2 2 329.400 1.945 20 0 EDADLP COC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000367814055 154281235 /nfs/dbraw/zinc/28/12/35/154281235.db2.gz JJGHKCISFDFOII-KRWDZBQOSA-N 2 2 329.400 1.945 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@H]2CC[C@@H](O)C2)([NH+]2CCCCC2)CC1 ZINC000367887659 154312898 /nfs/dbraw/zinc/31/28/98/154312898.db2.gz SXMYAYZXJRAHBH-JKSUJKDBSA-N 2 2 338.496 1.149 20 0 EDADLP Cc1cnn(C)c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000368024382 154374241 /nfs/dbraw/zinc/37/42/41/154374241.db2.gz UDCMPOGPWODTSH-UHFFFAOYSA-N 2 2 333.480 1.105 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369428562 155029237 /nfs/dbraw/zinc/02/92/37/155029237.db2.gz VCDRMIZGHLNCBF-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369428562 155029239 /nfs/dbraw/zinc/02/92/39/155029239.db2.gz VCDRMIZGHLNCBF-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000369428562 155029244 /nfs/dbraw/zinc/02/92/44/155029244.db2.gz VCDRMIZGHLNCBF-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000369428562 155029245 /nfs/dbraw/zinc/02/92/45/155029245.db2.gz VCDRMIZGHLNCBF-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP [NH3+]C[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000574860791 306657987 /nfs/dbraw/zinc/65/79/87/306657987.db2.gz DXUMQVSHHAPYBN-ROUUACIJSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000372245609 156287043 /nfs/dbraw/zinc/28/70/43/156287043.db2.gz SWMJJAFKADXVKJ-LSDHHAIUSA-N 2 2 335.452 1.089 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000372245609 156287045 /nfs/dbraw/zinc/28/70/45/156287045.db2.gz SWMJJAFKADXVKJ-LSDHHAIUSA-N 2 2 335.452 1.089 20 0 EDADLP O=C1CCCC(=O)N1C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000372379646 156360720 /nfs/dbraw/zinc/36/07/20/156360720.db2.gz HKMKYCCPBWFWAA-UHFFFAOYSA-N 2 2 326.400 1.838 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C2 ZINC000372402022 156372661 /nfs/dbraw/zinc/37/26/61/156372661.db2.gz UASDHTPBEHLOAF-QLFBSQMISA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)C2 ZINC000372402022 156372663 /nfs/dbraw/zinc/37/26/63/156372663.db2.gz UASDHTPBEHLOAF-QLFBSQMISA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)CC2 ZINC000372402022 156372666 /nfs/dbraw/zinc/37/26/66/156372666.db2.gz UASDHTPBEHLOAF-QLFBSQMISA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)CC2 ZINC000372402022 156372669 /nfs/dbraw/zinc/37/26/69/156372669.db2.gz UASDHTPBEHLOAF-QLFBSQMISA-N 2 2 348.491 1.552 20 0 EDADLP CCOc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000372415866 156379605 /nfs/dbraw/zinc/37/96/05/156379605.db2.gz KRXHKYOQAFKCEI-XLIONFOSSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000372415866 156379607 /nfs/dbraw/zinc/37/96/07/156379607.db2.gz KRXHKYOQAFKCEI-XLIONFOSSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000372415866 156379609 /nfs/dbraw/zinc/37/96/09/156379609.db2.gz KRXHKYOQAFKCEI-XLIONFOSSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000372415866 156379611 /nfs/dbraw/zinc/37/96/11/156379611.db2.gz KRXHKYOQAFKCEI-XLIONFOSSA-N 2 2 347.503 1.922 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(CCC[NH3+])CC1CCCC1)[NH+]1CCOCC1 ZINC000417528580 304403722 /nfs/dbraw/zinc/40/37/22/304403722.db2.gz WXKYMNFNGZYQFJ-JKSUJKDBSA-N 2 2 340.512 1.646 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374200126 157189050 /nfs/dbraw/zinc/18/90/50/157189050.db2.gz OHBCOTMIOFSOHT-UHFFFAOYSA-N 2 2 341.415 1.717 20 0 EDADLP COc1ccc(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000374270436 157221759 /nfs/dbraw/zinc/22/17/59/157221759.db2.gz QFMBXQFHDAXRQM-MRXNPFEDSA-N 2 2 345.487 1.865 20 0 EDADLP COc1ccc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000374270436 157221764 /nfs/dbraw/zinc/22/17/64/157221764.db2.gz QFMBXQFHDAXRQM-MRXNPFEDSA-N 2 2 345.487 1.865 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374322198 157243283 /nfs/dbraw/zinc/24/32/83/157243283.db2.gz CDHNWSFKCKWRDX-CJNGLKHVSA-N 2 2 339.915 1.840 20 0 EDADLP CCSCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374493216 157307256 /nfs/dbraw/zinc/30/72/56/157307256.db2.gz VUKQENZRARUHFP-UHFFFAOYSA-N 2 2 342.553 1.987 20 0 EDADLP COCc1noc([C@@H](C)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000374602210 157341838 /nfs/dbraw/zinc/34/18/38/157341838.db2.gz HKVFDBCTPJBAAM-HIFRSBDPSA-N 2 2 337.468 1.377 20 0 EDADLP COCc1noc([C@@H](C)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000374602210 157341841 /nfs/dbraw/zinc/34/18/41/157341841.db2.gz HKVFDBCTPJBAAM-HIFRSBDPSA-N 2 2 337.468 1.377 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000377946682 158036708 /nfs/dbraw/zinc/03/67/08/158036708.db2.gz KEEJAHBCONYULH-MRXNPFEDSA-N 2 2 333.480 1.888 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000377946682 158036710 /nfs/dbraw/zinc/03/67/10/158036710.db2.gz KEEJAHBCONYULH-MRXNPFEDSA-N 2 2 333.480 1.888 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000378147639 158091765 /nfs/dbraw/zinc/09/17/65/158091765.db2.gz GKIOSJZFZGFAGN-OALUTQOASA-N 2 2 343.471 1.518 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(=O)n2ccsc2n1 ZINC000378249226 158120754 /nfs/dbraw/zinc/12/07/54/158120754.db2.gz OUEPMBDMOZAJRD-QLFBSQMISA-N 2 2 348.472 1.440 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(=O)n2ccsc2n1 ZINC000378249226 158120758 /nfs/dbraw/zinc/12/07/58/158120758.db2.gz OUEPMBDMOZAJRD-QLFBSQMISA-N 2 2 348.472 1.440 20 0 EDADLP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](CCc4ccccc4)C3)C2)n1 ZINC000378470124 158183937 /nfs/dbraw/zinc/18/39/37/158183937.db2.gz DVRXSEWKKPANJU-MOPGFXCFSA-N 2 2 339.487 1.905 20 0 EDADLP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](CCc4ccccc4)C3)C2)n1 ZINC000378470124 158183940 /nfs/dbraw/zinc/18/39/40/158183940.db2.gz DVRXSEWKKPANJU-MOPGFXCFSA-N 2 2 339.487 1.905 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3ncnn3CC(C)C)CC2)CC1 ZINC000378503082 158192926 /nfs/dbraw/zinc/19/29/26/158192926.db2.gz ZJIMSYOMHWESBB-UHFFFAOYSA-N 2 2 348.539 1.926 20 0 EDADLP COC(=O)[C@@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000378573212 158212415 /nfs/dbraw/zinc/21/24/15/158212415.db2.gz UEPBITCCNDNAMN-INIZCTEOSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)[C@@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000378573212 158212416 /nfs/dbraw/zinc/21/24/16/158212416.db2.gz UEPBITCCNDNAMN-INIZCTEOSA-N 2 2 339.480 1.393 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C(=O)C1 ZINC000378588852 158215836 /nfs/dbraw/zinc/21/58/36/158215836.db2.gz CKWZFTUVQOUSBM-UHFFFAOYSA-N 2 2 337.414 1.746 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C(=O)C1 ZINC000378588852 158215837 /nfs/dbraw/zinc/21/58/37/158215837.db2.gz CKWZFTUVQOUSBM-UHFFFAOYSA-N 2 2 337.414 1.746 20 0 EDADLP c1csc(C[NH+]2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)c1 ZINC000352406953 162166881 /nfs/dbraw/zinc/16/68/81/162166881.db2.gz FWHKVDUONZMBIM-UHFFFAOYSA-N 2 2 345.472 1.697 20 0 EDADLP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352487159 162206612 /nfs/dbraw/zinc/20/66/12/162206612.db2.gz APFGGUKWTPNWNH-ZFWWWQNUSA-N 2 2 328.420 1.172 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1C ZINC000352495930 162212809 /nfs/dbraw/zinc/21/28/09/162212809.db2.gz QBQFWNFBSVDNKY-WMZOPIPTSA-N 2 2 330.476 1.610 20 0 EDADLP COCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000066378394 287243167 /nfs/dbraw/zinc/24/31/67/287243167.db2.gz RLYMPCWRXUMEMZ-UHFFFAOYSA-N 2 2 349.475 1.308 20 0 EDADLP COCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000066378394 287243168 /nfs/dbraw/zinc/24/31/68/287243168.db2.gz RLYMPCWRXUMEMZ-UHFFFAOYSA-N 2 2 349.475 1.308 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000075677750 287278287 /nfs/dbraw/zinc/27/82/87/287278287.db2.gz QADOANKIOOVGOP-OALUTQOASA-N 2 2 338.540 1.199 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000121398929 287370670 /nfs/dbraw/zinc/37/06/70/287370670.db2.gz UQEUXTOXPFDEEP-GJZGRUSLSA-N 2 2 337.468 1.332 20 0 EDADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)[C@H]1C ZINC000378565375 287491672 /nfs/dbraw/zinc/49/16/72/287491672.db2.gz JKYLGSSFTMMFOX-VSZNYVQBSA-N 2 2 337.508 1.724 20 0 EDADLP CC[C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)[NH+](CC)CC ZINC000345801411 287495291 /nfs/dbraw/zinc/49/52/91/287495291.db2.gz MIRANVFKSVOHGL-WBVHZDCISA-N 2 2 343.537 1.431 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418440454 304495723 /nfs/dbraw/zinc/49/57/23/304495723.db2.gz ZECYWKCZJBNUFW-IRXDYDNUSA-N 2 2 331.464 1.426 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)c1csc(C[NH3+])n1)[NH+](C)C ZINC000237262421 273008696 /nfs/dbraw/zinc/00/86/96/273008696.db2.gz WHDUHKJTLRDMHK-ZDUSSCGKSA-N 2 2 334.445 1.643 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237441917 273010338 /nfs/dbraw/zinc/01/03/38/273010338.db2.gz PTBUUMBANXGPJH-CVEARBPZSA-N 2 2 348.466 1.534 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CCCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000237662920 273011932 /nfs/dbraw/zinc/01/19/32/273011932.db2.gz MXGDQAQSFKPLMG-OFQRWUPVSA-N 2 2 332.448 1.454 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000159294792 267493315 /nfs/dbraw/zinc/49/33/15/267493315.db2.gz PCDBJIZIHOMABH-INIZCTEOSA-N 2 2 333.476 1.434 20 0 EDADLP C[C@@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000274843890 268220831 /nfs/dbraw/zinc/22/08/31/268220831.db2.gz WEKFYMZVABQIOQ-CABCVRRESA-N 2 2 346.479 1.287 20 0 EDADLP C[C@@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000274843890 268220834 /nfs/dbraw/zinc/22/08/34/268220834.db2.gz WEKFYMZVABQIOQ-CABCVRRESA-N 2 2 346.479 1.287 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000273110134 273029014 /nfs/dbraw/zinc/02/90/14/273029014.db2.gz QANPNTNJUJDQLX-HNNXBMFYSA-N 2 2 345.443 1.373 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000273110134 273029016 /nfs/dbraw/zinc/02/90/16/273029016.db2.gz QANPNTNJUJDQLX-HNNXBMFYSA-N 2 2 345.443 1.373 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000275395213 268336545 /nfs/dbraw/zinc/33/65/45/268336545.db2.gz DHQQSHQGKMQNGW-SJORKVTESA-N 2 2 347.503 1.811 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000275395213 268336546 /nfs/dbraw/zinc/33/65/46/268336546.db2.gz DHQQSHQGKMQNGW-SJORKVTESA-N 2 2 347.503 1.811 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000275395213 268336547 /nfs/dbraw/zinc/33/65/47/268336547.db2.gz DHQQSHQGKMQNGW-SJORKVTESA-N 2 2 347.503 1.811 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C(F)(F)C(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000275750552 268372051 /nfs/dbraw/zinc/37/20/51/268372051.db2.gz QSLMUKNWMGXGMG-JTQLQIEISA-N 2 2 348.344 1.791 20 0 EDADLP CNC(=O)C[NH+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000276048371 268394288 /nfs/dbraw/zinc/39/42/88/268394288.db2.gz IGDRFDDFVCFCID-UHFFFAOYSA-N 2 2 328.416 1.420 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)on1 ZINC000273425041 273038370 /nfs/dbraw/zinc/03/83/70/273038370.db2.gz RPSLIUGUYUFCLN-DJIMGWMZSA-N 2 2 340.427 1.774 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)on1 ZINC000273425041 273038371 /nfs/dbraw/zinc/03/83/71/273038371.db2.gz RPSLIUGUYUFCLN-DJIMGWMZSA-N 2 2 340.427 1.774 20 0 EDADLP CCc1nnc(C)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000273574581 273045847 /nfs/dbraw/zinc/04/58/47/273045847.db2.gz FVWVQNPAKPRGNF-UHFFFAOYSA-N 2 2 333.480 1.445 20 0 EDADLP CCc1nnc(C)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000273574581 273045848 /nfs/dbraw/zinc/04/58/48/273045848.db2.gz FVWVQNPAKPRGNF-UHFFFAOYSA-N 2 2 333.480 1.445 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000186967693 533688732 /nfs/dbraw/zinc/68/87/32/533688732.db2.gz XAOHJKACTDGOOA-HUUCEWRRSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000186967693 533688739 /nfs/dbraw/zinc/68/87/39/533688739.db2.gz XAOHJKACTDGOOA-HUUCEWRRSA-N 2 2 328.416 1.399 20 0 EDADLP Brc1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)nc1 ZINC000162807335 272931353 /nfs/dbraw/zinc/93/13/53/272931353.db2.gz BTBDSPXFKJKNHD-UHFFFAOYSA-N 2 2 336.237 1.863 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000276207230 273152586 /nfs/dbraw/zinc/15/25/86/273152586.db2.gz CXFPBGBEFWALOJ-HOTGVXAUSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000276207230 273152588 /nfs/dbraw/zinc/15/25/88/273152588.db2.gz CXFPBGBEFWALOJ-HOTGVXAUSA-N 2 2 347.438 1.868 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000276306314 273158615 /nfs/dbraw/zinc/15/86/15/273158615.db2.gz ROHKSOWJOHVCPM-UHFFFAOYSA-N 2 2 330.388 1.877 20 0 EDADLP C[N@H+](CCNc1cc(N2CCOCC2)[nH+]cn1)Cc1ccccc1 ZINC000277327580 273188840 /nfs/dbraw/zinc/18/88/40/273188840.db2.gz DWLCPEZSXSIFED-UHFFFAOYSA-N 2 2 327.432 1.857 20 0 EDADLP C[N@@H+](CCNc1cc(N2CCOCC2)[nH+]cn1)Cc1ccccc1 ZINC000277327580 273188843 /nfs/dbraw/zinc/18/88/43/273188843.db2.gz DWLCPEZSXSIFED-UHFFFAOYSA-N 2 2 327.432 1.857 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000279124711 273281739 /nfs/dbraw/zinc/28/17/39/273281739.db2.gz DFKIXCNQMSQZRB-QGZVFWFLSA-N 2 2 342.443 1.615 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000279124711 273281740 /nfs/dbraw/zinc/28/17/40/273281740.db2.gz DFKIXCNQMSQZRB-QGZVFWFLSA-N 2 2 342.443 1.615 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000279605454 273311064 /nfs/dbraw/zinc/31/10/64/273311064.db2.gz WOQYDDAFSHAXMM-UHFFFAOYSA-N 2 2 345.447 1.587 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000279605454 273311065 /nfs/dbraw/zinc/31/10/65/273311065.db2.gz WOQYDDAFSHAXMM-UHFFFAOYSA-N 2 2 345.447 1.587 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280534328 273368114 /nfs/dbraw/zinc/36/81/14/273368114.db2.gz SPUVYRKAGMDZDC-HDICACEKSA-N 2 2 331.460 1.203 20 0 EDADLP CCOCCNC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280534328 273368115 /nfs/dbraw/zinc/36/81/15/273368115.db2.gz SPUVYRKAGMDZDC-HDICACEKSA-N 2 2 331.460 1.203 20 0 EDADLP CCOCCNC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280534328 273368117 /nfs/dbraw/zinc/36/81/17/273368117.db2.gz SPUVYRKAGMDZDC-HDICACEKSA-N 2 2 331.460 1.203 20 0 EDADLP CCOCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280534328 273368118 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OCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCOCC1 ZINC000284136853 274092417 /nfs/dbraw/zinc/09/24/17/274092417.db2.gz OPGNAGZUFGOBRX-HXUWFJFHSA-N 2 2 348.487 1.751 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284318719 274159154 /nfs/dbraw/zinc/15/91/54/274159154.db2.gz KQIYBJQAOSTZIU-UHFFFAOYSA-N 3 2 329.448 1.432 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284318719 274159156 /nfs/dbraw/zinc/15/91/56/274159156.db2.gz KQIYBJQAOSTZIU-UHFFFAOYSA-N 3 2 329.448 1.432 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[N@H+](C)C1 ZINC000284621844 274267701 /nfs/dbraw/zinc/26/77/01/274267701.db2.gz DAGKVFUOMCFSCW-GJZGRUSLSA-N 2 2 335.452 1.008 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[N@@H+](C)C1 ZINC000284621844 274267703 /nfs/dbraw/zinc/26/77/03/274267703.db2.gz DAGKVFUOMCFSCW-GJZGRUSLSA-N 2 2 335.452 1.008 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)C[C@H]21 ZINC000284641010 274275865 /nfs/dbraw/zinc/27/58/65/274275865.db2.gz VQMXFSQVEPBSGT-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)C[C@H]21 ZINC000284641010 274275867 /nfs/dbraw/zinc/27/58/67/274275867.db2.gz VQMXFSQVEPBSGT-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)C[C@H]21 ZINC000284641010 274275869 /nfs/dbraw/zinc/27/58/69/274275869.db2.gz VQMXFSQVEPBSGT-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)C[C@H]21 ZINC000284641010 274275870 /nfs/dbraw/zinc/27/58/70/274275870.db2.gz VQMXFSQVEPBSGT-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP CCC[N@@H+]1CCCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000369351349 276006076 /nfs/dbraw/zinc/00/60/76/276006076.db2.gz BVMCLEVAVWMMRK-MRXNPFEDSA-N 2 2 333.480 1.750 20 0 EDADLP CCC[N@H+]1CCCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000369351349 276006078 /nfs/dbraw/zinc/00/60/78/276006078.db2.gz BVMCLEVAVWMMRK-MRXNPFEDSA-N 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VAXFTKXCGHYODG-JFIYKMOQSA-N 2 2 334.508 1.098 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366013472 278147840 /nfs/dbraw/zinc/14/78/40/278147840.db2.gz XOJQZIXMSCWAPM-OLZOCXBDSA-N 2 2 335.452 1.390 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366013472 278147841 /nfs/dbraw/zinc/14/78/41/278147841.db2.gz XOJQZIXMSCWAPM-OLZOCXBDSA-N 2 2 335.452 1.390 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)[C@@H](C)C1 ZINC000373574630 278293042 /nfs/dbraw/zinc/29/30/42/278293042.db2.gz IMDDLBXMEBATFG-YESZJQIVSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)[C@@H](C)C1 ZINC000373574630 278293043 /nfs/dbraw/zinc/29/30/43/278293043.db2.gz IMDDLBXMEBATFG-YESZJQIVSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418702658 278315227 /nfs/dbraw/zinc/31/52/27/278315227.db2.gz HEXHRVQJRFZPJU-OHFALNGGSA-N 2 2 334.464 1.435 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418702658 278315228 /nfs/dbraw/zinc/31/52/28/278315228.db2.gz HEXHRVQJRFZPJU-OHFALNGGSA-N 2 2 334.464 1.435 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000333809359 278350703 /nfs/dbraw/zinc/35/07/03/278350703.db2.gz PIIGGJWEDXSNJC-XJKSGUPXSA-N 2 2 331.464 1.687 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000333809359 278350706 /nfs/dbraw/zinc/35/07/06/278350706.db2.gz PIIGGJWEDXSNJC-XJKSGUPXSA-N 2 2 331.464 1.687 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457788105 278902032 /nfs/dbraw/zinc/90/20/32/278902032.db2.gz ABELAKUFFJDYKU-CRAIPNDOSA-N 2 2 335.492 1.573 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365258259 279098284 /nfs/dbraw/zinc/09/82/84/279098284.db2.gz NEHZHKLZFJKDGS-MRXNPFEDSA-N 3 2 339.528 1.186 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365258259 279098286 /nfs/dbraw/zinc/09/82/86/279098286.db2.gz NEHZHKLZFJKDGS-MRXNPFEDSA-N 3 2 339.528 1.186 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000128239312 279167463 /nfs/dbraw/zinc/16/74/63/279167463.db2.gz HWYBOKYNVKAGMB-CVEARBPZSA-N 2 2 331.464 1.786 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358140914 279366756 /nfs/dbraw/zinc/36/67/56/279366756.db2.gz PHQYZBDFMSDVQJ-BZUAXINKSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358140914 279366761 /nfs/dbraw/zinc/36/67/61/279366761.db2.gz PHQYZBDFMSDVQJ-BZUAXINKSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)OC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000371694385 288176290 /nfs/dbraw/zinc/17/62/90/288176290.db2.gz SZFPBCXSILFJGL-OAHLLOKOSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000371694385 288176293 /nfs/dbraw/zinc/17/62/93/288176293.db2.gz SZFPBCXSILFJGL-OAHLLOKOSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H]1CN(CCNC(=O)OC(C)(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371694385 288176295 /nfs/dbraw/zinc/17/62/95/288176295.db2.gz SZFPBCXSILFJGL-OAHLLOKOSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H]1CN(CCNC(=O)OC(C)(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371694385 288176298 /nfs/dbraw/zinc/17/62/98/288176298.db2.gz SZFPBCXSILFJGL-OAHLLOKOSA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248270030 280150892 /nfs/dbraw/zinc/15/08/92/280150892.db2.gz ZAPDWUFGMOKEBS-SOLBZPMBSA-N 2 2 337.508 1.674 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248270030 280150896 /nfs/dbraw/zinc/15/08/96/280150896.db2.gz ZAPDWUFGMOKEBS-SOLBZPMBSA-N 2 2 337.508 1.674 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)[nH+]1 ZINC000287660163 288287878 /nfs/dbraw/zinc/28/78/78/288287878.db2.gz BMEFUMMJALPVNA-YIONKMFJSA-N 2 2 330.432 1.721 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)[nH+]1 ZINC000287660163 288287882 /nfs/dbraw/zinc/28/78/82/288287882.db2.gz BMEFUMMJALPVNA-YIONKMFJSA-N 2 2 330.432 1.721 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)s1 ZINC000287925164 288357995 /nfs/dbraw/zinc/35/79/95/288357995.db2.gz DEJSJGSHWKNGCJ-LBPRGKRZSA-N 2 2 325.482 1.229 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732991 289164836 /nfs/dbraw/zinc/16/48/36/289164836.db2.gz JRDGQKPGZIQKRY-UXHICEINSA-N 2 2 332.488 1.759 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732991 289164840 /nfs/dbraw/zinc/16/48/40/289164840.db2.gz JRDGQKPGZIQKRY-UXHICEINSA-N 2 2 332.488 1.759 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732991 289164841 /nfs/dbraw/zinc/16/48/41/289164841.db2.gz JRDGQKPGZIQKRY-UXHICEINSA-N 2 2 332.488 1.759 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732991 289164843 /nfs/dbraw/zinc/16/48/43/289164843.db2.gz JRDGQKPGZIQKRY-UXHICEINSA-N 2 2 332.488 1.759 20 0 EDADLP Cc1ccoc1C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000292390732 289333781 /nfs/dbraw/zinc/33/37/81/289333781.db2.gz SIGBKKRYUFTQLL-MRXNPFEDSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1ccoc1C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000292390732 289333784 /nfs/dbraw/zinc/33/37/84/289333784.db2.gz SIGBKKRYUFTQLL-MRXNPFEDSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1ccoc1C[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000292390732 289333788 /nfs/dbraw/zinc/33/37/88/289333788.db2.gz SIGBKKRYUFTQLL-MRXNPFEDSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1ccoc1C[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000292390732 289333790 /nfs/dbraw/zinc/33/37/90/289333790.db2.gz SIGBKKRYUFTQLL-MRXNPFEDSA-N 2 2 337.464 1.493 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000342946644 289634762 /nfs/dbraw/zinc/63/47/62/289634762.db2.gz MMGZAARNDKACLE-INIZCTEOSA-N 2 2 336.505 1.949 20 0 EDADLP CCC[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)[NH+](C)C ZINC000422008605 447305774 /nfs/dbraw/zinc/30/57/74/447305774.db2.gz AETSVZLAJBVYRJ-SFHVURJKSA-N 3 2 338.540 1.735 20 0 EDADLP CCC[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)[NH+](C)C ZINC000422008605 447305778 /nfs/dbraw/zinc/30/57/78/447305778.db2.gz AETSVZLAJBVYRJ-SFHVURJKSA-N 3 2 338.540 1.735 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ncnn3C(C)(C)C)C2)CC1 ZINC000367289337 290056423 /nfs/dbraw/zinc/05/64/23/290056423.db2.gz KHUBEMKRACPGRL-INIZCTEOSA-N 2 2 334.512 1.635 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ncnn3C(C)(C)C)C2)CC1 ZINC000367289337 290056425 /nfs/dbraw/zinc/05/64/25/290056425.db2.gz KHUBEMKRACPGRL-INIZCTEOSA-N 2 2 334.512 1.635 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCc1c[nH+]c2n1CCCC2)[NH+]1CCOCC1 ZINC000375169097 290203986 /nfs/dbraw/zinc/20/39/86/290203986.db2.gz USFBUMKDRCOQKQ-UONOGXRCSA-N 2 2 335.452 1.128 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C)[C@@H](c3[nH+]ccn3C)C1)C2 ZINC000329554402 293622400 /nfs/dbraw/zinc/62/24/00/293622400.db2.gz GSORHMVUFNIDBI-GOEBONIOSA-N 2 2 342.447 1.003 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C[C@@H]21 ZINC000342104054 295309369 /nfs/dbraw/zinc/30/93/69/295309369.db2.gz NCZXUNFPRZWMPC-FRRDWIJNSA-N 2 2 334.445 1.068 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C[C@@H]21 ZINC000342104054 295309372 /nfs/dbraw/zinc/30/93/72/295309372.db2.gz NCZXUNFPRZWMPC-FRRDWIJNSA-N 2 2 334.445 1.068 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418646683 304524761 /nfs/dbraw/zinc/52/47/61/304524761.db2.gz SUXFXELUXYXABO-QGZVFWFLSA-N 2 2 345.491 1.687 20 0 EDADLP [NH3+]CCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000418648690 304524965 /nfs/dbraw/zinc/52/49/65/304524965.db2.gz IDZBMSCYWQFCAQ-MSOLQXFVSA-N 2 2 346.475 1.583 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418782455 304530771 /nfs/dbraw/zinc/53/07/71/304530771.db2.gz DKKJRNJNDJIOET-BZUAXINKSA-N 2 2 331.464 1.961 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000194230411 300256010 /nfs/dbraw/zinc/25/60/10/300256010.db2.gz HOJPPVUERCIULP-XYJFISCASA-N 2 2 333.476 1.905 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430644552 305060931 /nfs/dbraw/zinc/06/09/31/305060931.db2.gz ZBNSTBKJNHYDOB-CYBMUJFWSA-N 2 2 325.840 1.506 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CSC3CC3)CC2)CC1 ZINC000422023529 447312444 /nfs/dbraw/zinc/31/24/44/447312444.db2.gz PQTFDWBUYWJJDL-UHFFFAOYSA-N 2 2 325.522 1.901 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CSC3CC3)CC2)CC1 ZINC000422023529 447312448 /nfs/dbraw/zinc/31/24/48/447312448.db2.gz PQTFDWBUYWJJDL-UHFFFAOYSA-N 2 2 325.522 1.901 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430644552 305060932 /nfs/dbraw/zinc/06/09/32/305060932.db2.gz ZBNSTBKJNHYDOB-CYBMUJFWSA-N 2 2 325.840 1.506 20 0 EDADLP Cc1[nH+]c(-c2ccncc2)nc(NCCCN2CC[NH2+]CC2)c1C ZINC000420108945 304738641 /nfs/dbraw/zinc/73/86/41/304738641.db2.gz DCHVOMONTVOPOU-UHFFFAOYSA-N 2 2 326.448 1.285 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420363813 304751965 /nfs/dbraw/zinc/75/19/65/304751965.db2.gz JUZYUBXMEXROIH-MQIPJXDCSA-N 2 2 334.420 1.319 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CC1 ZINC000653095526 453277498 /nfs/dbraw/zinc/27/74/98/453277498.db2.gz LUEPJHAGKBBTIE-CYBMUJFWSA-N 2 2 340.265 1.833 20 0 EDADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423488169 302184958 /nfs/dbraw/zinc/18/49/58/302184958.db2.gz DMZNFGLLFSIXMD-MJGOQNOKSA-N 2 2 333.476 1.336 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166371534 302938544 /nfs/dbraw/zinc/93/85/44/302938544.db2.gz ZDSLNYWIOUDNJJ-SJLPKXTDSA-N 2 2 331.460 1.518 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCN1C ZINC000423872885 303007431 /nfs/dbraw/zinc/00/74/31/303007431.db2.gz QNVXLVXQEZTOKV-HZPDHXFCSA-N 2 2 345.422 1.117 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000343242600 303079434 /nfs/dbraw/zinc/07/94/34/303079434.db2.gz MAFYMGMYQKEWGA-ZHALLVOQSA-N 2 2 348.491 1.542 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000343242600 303079436 /nfs/dbraw/zinc/07/94/36/303079436.db2.gz MAFYMGMYQKEWGA-ZHALLVOQSA-N 2 2 348.491 1.542 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294973594 303158154 /nfs/dbraw/zinc/15/81/54/303158154.db2.gz FXUDTRITDYHZFC-USXIJHARSA-N 2 2 339.505 1.567 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294973594 303158155 /nfs/dbraw/zinc/15/81/55/303158155.db2.gz FXUDTRITDYHZFC-USXIJHARSA-N 2 2 339.505 1.567 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000295109302 303174366 /nfs/dbraw/zinc/17/43/66/303174366.db2.gz LLSVNZQYQCIQSP-HOTGVXAUSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000295109302 303174368 /nfs/dbraw/zinc/17/43/68/303174368.db2.gz LLSVNZQYQCIQSP-HOTGVXAUSA-N 2 2 349.475 1.849 20 0 EDADLP CC[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000295776067 303265165 /nfs/dbraw/zinc/26/51/65/303265165.db2.gz SYOCSLXQRIAVMD-GOSISDBHSA-N 2 2 333.476 1.342 20 0 EDADLP CC[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000295776067 303265166 /nfs/dbraw/zinc/26/51/66/303265166.db2.gz SYOCSLXQRIAVMD-GOSISDBHSA-N 2 2 333.476 1.342 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295909187 303282173 /nfs/dbraw/zinc/28/21/73/303282173.db2.gz IVDPEZBYYQEGGW-LSDHHAIUSA-N 2 2 334.464 1.856 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295909187 303282175 /nfs/dbraw/zinc/28/21/75/303282175.db2.gz IVDPEZBYYQEGGW-LSDHHAIUSA-N 2 2 334.464 1.856 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)nn1 ZINC000295943475 303285179 /nfs/dbraw/zinc/28/51/79/303285179.db2.gz LGSYVCTYGFUVCQ-AWEZNQCLSA-N 2 2 329.404 1.600 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)nn1 ZINC000295943475 303285180 /nfs/dbraw/zinc/28/51/80/303285180.db2.gz LGSYVCTYGFUVCQ-AWEZNQCLSA-N 2 2 329.404 1.600 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[C@H](C)[N@H+]1C ZINC000296571079 303325472 /nfs/dbraw/zinc/32/54/72/303325472.db2.gz LQAITXPMUQBKPA-GASCZTMLSA-N 2 2 347.463 1.152 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[C@H](C)[N@@H+]1C ZINC000296571079 303325473 /nfs/dbraw/zinc/32/54/73/303325473.db2.gz LQAITXPMUQBKPA-GASCZTMLSA-N 2 2 347.463 1.152 20 0 EDADLP CC(C)[C@@](C)([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000297305619 303383492 /nfs/dbraw/zinc/38/34/92/303383492.db2.gz BHTIMYQJACXQNB-IEBWSBKVSA-N 2 2 333.476 1.767 20 0 EDADLP CC(C)[C@@](C)([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000297305619 303383493 /nfs/dbraw/zinc/38/34/93/303383493.db2.gz BHTIMYQJACXQNB-IEBWSBKVSA-N 2 2 333.476 1.767 20 0 EDADLP CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[NH+](C)C ZINC000297693122 303429436 /nfs/dbraw/zinc/42/94/36/303429436.db2.gz ALEFMMYXYQJMEP-AWEZNQCLSA-N 2 2 331.420 1.365 20 0 EDADLP [NH3+][C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1c(F)cccc1F ZINC000417856942 303446882 /nfs/dbraw/zinc/44/68/82/303446882.db2.gz TVSGIOKUBZXOTF-WPPNPWJKSA-N 2 2 338.383 1.876 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000238088731 303652583 /nfs/dbraw/zinc/65/25/83/303652583.db2.gz XDTAKCINBRSJAW-IRXDYDNUSA-N 2 2 349.500 1.271 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCC[NH2+]C2)ccc1OCC(=O)N1CCCC1 ZINC000414869501 447335719 /nfs/dbraw/zinc/33/57/19/447335719.db2.gz QXOCESSSPIOGGK-INIZCTEOSA-N 2 2 347.459 1.538 20 0 EDADLP COCCC[N@@H+]1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000377752542 447336341 /nfs/dbraw/zinc/33/63/41/447336341.db2.gz URRRPQGCBMKYLP-UHFFFAOYSA-N 2 2 331.420 1.910 20 0 EDADLP COCCC[N@H+]1CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000377752542 447336351 /nfs/dbraw/zinc/33/63/51/447336351.db2.gz URRRPQGCBMKYLP-UHFFFAOYSA-N 2 2 331.420 1.910 20 0 EDADLP O=C(CN1CCC2(CC[NH2+]2)CC1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000422625478 304875013 /nfs/dbraw/zinc/87/50/13/304875013.db2.gz BUHKMXRKCQDMTI-UHFFFAOYSA-N 2 2 349.504 1.505 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000423432565 304896085 /nfs/dbraw/zinc/89/60/85/304896085.db2.gz MLZFKQXYIWVIHH-JSGCOSHPSA-N 2 2 326.466 1.102 20 0 EDADLP Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425896583 304976228 /nfs/dbraw/zinc/97/62/28/304976228.db2.gz PSHAWTZTCSBAQM-ZDUSSCGKSA-N 2 2 343.431 1.962 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)c1cc[nH+]c(N2CCOCC2)n1 ZINC000428665834 305014136 /nfs/dbraw/zinc/01/41/36/305014136.db2.gz PQKHWUHMRZIRKY-UHFFFAOYSA-N 2 2 344.463 1.989 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)C1 ZINC000429013892 305022696 /nfs/dbraw/zinc/02/26/96/305022696.db2.gz XKGSLOIUUIWELB-VQIMIIECSA-N 2 2 329.444 1.654 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)C1 ZINC000429013892 305022697 /nfs/dbraw/zinc/02/26/97/305022697.db2.gz XKGSLOIUUIWELB-VQIMIIECSA-N 2 2 329.444 1.654 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)C1 ZINC000429013892 305022698 /nfs/dbraw/zinc/02/26/98/305022698.db2.gz XKGSLOIUUIWELB-VQIMIIECSA-N 2 2 329.444 1.654 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)C1 ZINC000429013892 305022699 /nfs/dbraw/zinc/02/26/99/305022699.db2.gz XKGSLOIUUIWELB-VQIMIIECSA-N 2 2 329.444 1.654 20 0 EDADLP [NH3+]CCCOC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000429617978 305033258 /nfs/dbraw/zinc/03/32/58/305033258.db2.gz CDIOXVFAVBIWRC-UHFFFAOYSA-N 2 2 342.443 1.901 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1CCCOC1 ZINC000430088398 305045213 /nfs/dbraw/zinc/04/52/13/305045213.db2.gz VSDDVEHGMTTYJD-WBVHZDCISA-N 2 2 328.416 1.096 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430574422 305056821 /nfs/dbraw/zinc/05/68/21/305056821.db2.gz SNJVDRZOHKGJTC-MELADBBJSA-N 2 2 333.432 1.844 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430574422 305056822 /nfs/dbraw/zinc/05/68/22/305056822.db2.gz SNJVDRZOHKGJTC-MELADBBJSA-N 2 2 333.432 1.844 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430599138 305057659 /nfs/dbraw/zinc/05/76/59/305057659.db2.gz VEMWZSSVDQHYDJ-HNAYVOBHSA-N 2 2 347.459 1.392 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1OC ZINC000430606619 305058298 /nfs/dbraw/zinc/05/82/98/305058298.db2.gz XAKDHMMIRYUZKA-AWEZNQCLSA-N 2 2 335.448 1.333 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1OC ZINC000430606619 305058299 /nfs/dbraw/zinc/05/82/99/305058299.db2.gz XAKDHMMIRYUZKA-AWEZNQCLSA-N 2 2 335.448 1.333 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000430610046 305058792 /nfs/dbraw/zinc/05/87/92/305058792.db2.gz JQBQAPREAAIQIM-KGLIPLIRSA-N 2 2 339.430 1.943 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000430610046 305058793 /nfs/dbraw/zinc/05/87/93/305058793.db2.gz JQBQAPREAAIQIM-KGLIPLIRSA-N 2 2 339.430 1.943 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)C1 ZINC000430611111 305058834 /nfs/dbraw/zinc/05/88/34/305058834.db2.gz NEWCDNJYXIBUNP-HNNXBMFYSA-N 2 2 349.475 1.594 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)C1 ZINC000430611111 305058835 /nfs/dbraw/zinc/05/88/35/305058835.db2.gz NEWCDNJYXIBUNP-HNNXBMFYSA-N 2 2 349.475 1.594 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC([NH3+])CC1 ZINC000430650574 305061163 /nfs/dbraw/zinc/06/11/63/305061163.db2.gz KISWSZDDXHYTGK-CYBMUJFWSA-N 2 2 330.432 1.564 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)CCCCCC2)no1 ZINC000430695645 305062576 /nfs/dbraw/zinc/06/25/76/305062576.db2.gz SZMLOXJHMZKLHH-KGLIPLIRSA-N 2 2 349.479 1.924 20 0 EDADLP CC[C@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000430913050 305067706 /nfs/dbraw/zinc/06/77/06/305067706.db2.gz QWFUMSWVJXXDBC-ZDUSSCGKSA-N 2 2 326.404 1.999 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C1 ZINC000430931027 305068829 /nfs/dbraw/zinc/06/88/29/305068829.db2.gz CCBGIDXKYDCTDK-JSGCOSHPSA-N 2 2 348.447 1.522 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C1 ZINC000430931027 305068830 /nfs/dbraw/zinc/06/88/30/305068830.db2.gz CCBGIDXKYDCTDK-JSGCOSHPSA-N 2 2 348.447 1.522 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000430934455 305068964 /nfs/dbraw/zinc/06/89/64/305068964.db2.gz MTSAWIQXYUKIAV-HNNXBMFYSA-N 2 2 335.448 1.122 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000430934455 305068965 /nfs/dbraw/zinc/06/89/65/305068965.db2.gz MTSAWIQXYUKIAV-HNNXBMFYSA-N 2 2 335.448 1.122 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430940026 305069554 /nfs/dbraw/zinc/06/95/54/305069554.db2.gz INTHTCPNFNPILN-QFBILLFUSA-N 2 2 345.487 1.863 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430940026 305069555 /nfs/dbraw/zinc/06/95/55/305069555.db2.gz INTHTCPNFNPILN-QFBILLFUSA-N 2 2 345.487 1.863 20 0 EDADLP CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000430956364 305070790 /nfs/dbraw/zinc/07/07/90/305070790.db2.gz KLCBMEYHJXFPDP-KUHUBIRLSA-N 2 2 347.459 1.552 20 0 EDADLP CC(C)[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000430956364 305070791 /nfs/dbraw/zinc/07/07/91/305070791.db2.gz KLCBMEYHJXFPDP-KUHUBIRLSA-N 2 2 347.459 1.552 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@@H]1[NH3+] ZINC000430958898 305070934 /nfs/dbraw/zinc/07/09/34/305070934.db2.gz ZUNICORXHAEBMZ-ZBFHGGJFSA-N 2 2 336.505 1.061 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@@H]1[NH3+] ZINC000430958898 305070935 /nfs/dbraw/zinc/07/09/35/305070935.db2.gz ZUNICORXHAEBMZ-ZBFHGGJFSA-N 2 2 336.505 1.061 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC[C@@H]1[NH3+] ZINC000430974416 305071851 /nfs/dbraw/zinc/07/18/51/305071851.db2.gz ZHSVKGSCXGEXAT-HOCLYGCPSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC[C@@H]1[NH3+] ZINC000430974416 305071852 /nfs/dbraw/zinc/07/18/52/305071852.db2.gz ZHSVKGSCXGEXAT-HOCLYGCPSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2nc(C(C)(C)[NH3+])no2)C[C@@H](C)O1 ZINC000431066471 305073987 /nfs/dbraw/zinc/07/39/87/305073987.db2.gz NNMNVGDNMAAXPF-MGPQQGTHSA-N 2 2 337.468 1.337 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)CC1 ZINC000431148696 305075994 /nfs/dbraw/zinc/07/59/94/305075994.db2.gz IINODEBEZRWVJM-MRXNPFEDSA-N 2 2 345.491 1.173 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C1)CCCC2 ZINC000432117488 305087572 /nfs/dbraw/zinc/08/75/72/305087572.db2.gz TZMCLDJZOGLIHI-INIZCTEOSA-N 3 2 345.491 1.091 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C1)CCCC2 ZINC000432117488 305087573 /nfs/dbraw/zinc/08/75/73/305087573.db2.gz TZMCLDJZOGLIHI-INIZCTEOSA-N 3 2 345.491 1.091 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC(=O)N3CCN(C)CC3)C1)CCCC2 ZINC000432117488 305087574 /nfs/dbraw/zinc/08/75/74/305087574.db2.gz TZMCLDJZOGLIHI-INIZCTEOSA-N 2 2 345.491 1.091 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC(=O)N3CCN(C)CC3)C1)CCCC2 ZINC000432117488 305087575 /nfs/dbraw/zinc/08/75/75/305087575.db2.gz TZMCLDJZOGLIHI-INIZCTEOSA-N 2 2 345.491 1.091 20 0 EDADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000432155059 305088264 /nfs/dbraw/zinc/08/82/64/305088264.db2.gz JNQBMHVXNFGXPM-BZUAXINKSA-N 2 2 333.480 1.604 20 0 EDADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000432155059 305088265 /nfs/dbraw/zinc/08/82/65/305088265.db2.gz JNQBMHVXNFGXPM-BZUAXINKSA-N 2 2 333.480 1.604 20 0 EDADLP [NH3+]C1CC[NH+](CCCC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000433126636 305101215 /nfs/dbraw/zinc/10/12/15/305101215.db2.gz DGQJSGOVPXWKLX-UHFFFAOYSA-N 3 2 333.480 1.081 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000433303626 305105292 /nfs/dbraw/zinc/10/52/92/305105292.db2.gz LKBBAZMHCCMRLR-SFHVURJKSA-N 2 2 331.460 1.254 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000433937018 305115074 /nfs/dbraw/zinc/11/50/74/305115074.db2.gz PLRPYAZYAFPVRW-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000434280850 305119573 /nfs/dbraw/zinc/11/95/73/305119573.db2.gz OIXBPRKXEJZYBE-LSDHHAIUSA-N 2 2 328.501 1.325 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000434461357 305123205 /nfs/dbraw/zinc/12/32/05/305123205.db2.gz WYHARKAELREFJO-AEFFLSMTSA-N 2 2 346.475 1.083 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000434461357 305123206 /nfs/dbraw/zinc/12/32/06/305123206.db2.gz WYHARKAELREFJO-AEFFLSMTSA-N 2 2 346.475 1.083 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCCCn2cc[nH+]c2)n1 ZINC000435346677 305138218 /nfs/dbraw/zinc/13/82/18/305138218.db2.gz UNVATJJCIJEPNH-WBVHZDCISA-N 2 2 344.463 1.635 20 0 EDADLP CCOc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000435377413 305139375 /nfs/dbraw/zinc/13/93/75/305139375.db2.gz BFDSFHJCXWALQR-ZBFHGGJFSA-N 2 2 349.475 1.864 20 0 EDADLP CCOc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000435377413 305139376 /nfs/dbraw/zinc/13/93/76/305139376.db2.gz BFDSFHJCXWALQR-ZBFHGGJFSA-N 2 2 349.475 1.864 20 0 EDADLP COc1cc(C[N@H+](C)[C@@H](C)C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000435392534 305139811 /nfs/dbraw/zinc/13/98/11/305139811.db2.gz WZFDPMMWBOVESO-AWEZNQCLSA-N 2 2 335.448 1.475 20 0 EDADLP COc1cc(C[N@@H+](C)[C@@H](C)C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000435392534 305139812 /nfs/dbraw/zinc/13/98/12/305139812.db2.gz WZFDPMMWBOVESO-AWEZNQCLSA-N 2 2 335.448 1.475 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435565348 305142630 /nfs/dbraw/zinc/14/26/30/305142630.db2.gz GNYUSFCBURRWMM-MRXNPFEDSA-N 3 2 345.491 1.233 20 0 EDADLP Cn1ncc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1C(F)(F)F ZINC000436066468 305151888 /nfs/dbraw/zinc/15/18/88/305151888.db2.gz QZHZCJBAFPXYJV-GFCCVEGCSA-N 2 2 347.385 1.258 20 0 EDADLP Cn1ncc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1C(F)(F)F ZINC000436066468 305151889 /nfs/dbraw/zinc/15/18/89/305151889.db2.gz QZHZCJBAFPXYJV-GFCCVEGCSA-N 2 2 347.385 1.258 20 0 EDADLP O=S(=O)(NCC[NH+]1CCCC1)c1ccccc1Cn1cc[nH+]c1 ZINC000442910341 305231121 /nfs/dbraw/zinc/23/11/21/305231121.db2.gz BHLKAALLUDTCSS-UHFFFAOYSA-N 2 2 334.445 1.306 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000444454068 305248719 /nfs/dbraw/zinc/24/87/19/305248719.db2.gz MBSYEUBYUAEUOE-UHFFFAOYSA-N 2 2 328.416 1.869 20 0 EDADLP Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c(=O)n1C ZINC000447125896 305274099 /nfs/dbraw/zinc/27/40/99/305274099.db2.gz SJUIJEZFLWSYQA-UHFFFAOYSA-N 2 2 347.382 1.830 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000449078010 305305916 /nfs/dbraw/zinc/30/59/16/305305916.db2.gz TUCALGIANZTUMH-QGZVFWFLSA-N 2 2 329.448 1.115 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000449078010 305305917 /nfs/dbraw/zinc/30/59/17/305305917.db2.gz TUCALGIANZTUMH-QGZVFWFLSA-N 2 2 329.448 1.115 20 0 EDADLP COc1cc(F)cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000449114495 305307067 /nfs/dbraw/zinc/30/70/67/305307067.db2.gz ZNYKFRMIOJWRQE-KRWDZBQOSA-N 2 2 337.439 1.867 20 0 EDADLP COc1cc(F)cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000449114495 305307068 /nfs/dbraw/zinc/30/70/68/305307068.db2.gz ZNYKFRMIOJWRQE-KRWDZBQOSA-N 2 2 337.439 1.867 20 0 EDADLP COc1nccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1 ZINC000449266598 305310114 /nfs/dbraw/zinc/31/01/14/305310114.db2.gz WTOKMPRSWHHBGI-WMLDXEAASA-N 2 2 344.463 1.734 20 0 EDADLP COc1nccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1 ZINC000449266598 305310115 /nfs/dbraw/zinc/31/01/15/305310115.db2.gz WTOKMPRSWHHBGI-WMLDXEAASA-N 2 2 344.463 1.734 20 0 EDADLP COc1nccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000449266598 305310116 /nfs/dbraw/zinc/31/01/16/305310116.db2.gz WTOKMPRSWHHBGI-WMLDXEAASA-N 2 2 344.463 1.734 20 0 EDADLP COc1nccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000449266598 305310117 /nfs/dbraw/zinc/31/01/17/305310117.db2.gz WTOKMPRSWHHBGI-WMLDXEAASA-N 2 2 344.463 1.734 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000449763731 305318672 /nfs/dbraw/zinc/31/86/72/305318672.db2.gz UYWQOTNIERQHHP-INIZCTEOSA-N 2 2 341.459 1.903 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000449763731 305318673 /nfs/dbraw/zinc/31/86/73/305318673.db2.gz UYWQOTNIERQHHP-INIZCTEOSA-N 2 2 341.459 1.903 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000450042412 305323431 /nfs/dbraw/zinc/32/34/31/305323431.db2.gz KNXJLZCBTORFJS-KRWDZBQOSA-N 2 2 344.503 1.655 20 0 EDADLP COC(=O)c1csc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000450266450 305328935 /nfs/dbraw/zinc/32/89/35/305328935.db2.gz QWADDNGHVXGUTA-UHFFFAOYSA-N 2 2 339.461 1.474 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451218721 305334303 /nfs/dbraw/zinc/33/43/03/305334303.db2.gz BRFVIOUKWRIUJN-FFGOWVMKSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451218721 305334304 /nfs/dbraw/zinc/33/43/04/305334304.db2.gz BRFVIOUKWRIUJN-FFGOWVMKSA-N 2 2 329.488 1.960 20 0 EDADLP CO[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000451503890 305349879 /nfs/dbraw/zinc/34/98/79/305349879.db2.gz QDDXCFSIUDVIQR-MSOLQXFVSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000452088982 305382041 /nfs/dbraw/zinc/38/20/41/305382041.db2.gz DGYHLGOAKYUXCG-HUUCEWRRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000452088982 305382042 /nfs/dbraw/zinc/38/20/42/305382042.db2.gz DGYHLGOAKYUXCG-HUUCEWRRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)CC1 ZINC000452095207 305382302 /nfs/dbraw/zinc/38/23/02/305382302.db2.gz LDJCACRNDDQXTF-AOIWGVFYSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H](O)C2)CC1 ZINC000452095207 305382303 /nfs/dbraw/zinc/38/23/03/305382303.db2.gz LDJCACRNDDQXTF-AOIWGVFYSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC[N@@H+](C2CC2)C1 ZINC000452174619 305385767 /nfs/dbraw/zinc/38/57/67/305385767.db2.gz QOLTXKGCIPQTFS-MAUKXSAKSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC[N@H+](C2CC2)C1 ZINC000452174619 305385768 /nfs/dbraw/zinc/38/57/68/305385768.db2.gz QOLTXKGCIPQTFS-MAUKXSAKSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[NH+](C2CC2)C1 ZINC000452174619 305385769 /nfs/dbraw/zinc/38/57/69/305385769.db2.gz QOLTXKGCIPQTFS-MAUKXSAKSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[NH+](C2CC2)C1 ZINC000452174619 305385770 /nfs/dbraw/zinc/38/57/70/305385770.db2.gz QOLTXKGCIPQTFS-MAUKXSAKSA-N 2 2 335.492 1.430 20 0 EDADLP [NH3+]CCC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000519408938 305768502 /nfs/dbraw/zinc/76/85/02/305768502.db2.gz ONRJVMLONNSELE-UHFFFAOYSA-N 2 2 348.447 1.992 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000524784078 305819852 /nfs/dbraw/zinc/81/98/52/305819852.db2.gz LXHHPSYTZWVSQC-UHFFFAOYSA-N 2 2 348.495 1.359 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529282753 305906598 /nfs/dbraw/zinc/90/65/98/305906598.db2.gz JJMWPNUQJOLOFG-MRXNPFEDSA-N 2 2 327.432 1.929 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000530222134 305934801 /nfs/dbraw/zinc/93/48/01/305934801.db2.gz QITDOPWIFGIPRI-BBRMVZONSA-N 2 2 337.489 1.872 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000534309119 306005747 /nfs/dbraw/zinc/00/57/47/306005747.db2.gz IOKDTYNLTDBXEA-DZGCQCFKSA-N 2 2 348.447 1.010 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000534309119 306005748 /nfs/dbraw/zinc/00/57/48/306005748.db2.gz IOKDTYNLTDBXEA-DZGCQCFKSA-N 2 2 348.447 1.010 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000534580085 306008260 /nfs/dbraw/zinc/00/82/60/306008260.db2.gz PKWAOFLVGSFOGH-GFCCVEGCSA-N 2 2 347.444 1.297 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000534580085 306008261 /nfs/dbraw/zinc/00/82/61/306008261.db2.gz PKWAOFLVGSFOGH-GFCCVEGCSA-N 2 2 347.444 1.297 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)[NH+]1CCSCC1 ZINC000535265025 306012385 /nfs/dbraw/zinc/01/23/85/306012385.db2.gz PCZMENZXFZFGLA-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC3CCN(C(N)=O)CC3)[nH+]c2)C1 ZINC000539658933 306035738 /nfs/dbraw/zinc/03/57/38/306035738.db2.gz KTBWLHBTDIOPBD-HNNXBMFYSA-N 2 2 332.452 1.177 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCOCC1 ZINC000542157611 306051759 /nfs/dbraw/zinc/05/17/59/306051759.db2.gz WFASRNPORAOOHK-JKSUJKDBSA-N 2 2 334.464 1.706 20 0 EDADLP COCc1noc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000543208879 306061613 /nfs/dbraw/zinc/06/16/13/306061613.db2.gz VYUUYLIUAVTIMK-GJZGRUSLSA-N 2 2 337.468 1.377 20 0 EDADLP COCc1noc([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000543208879 306061614 /nfs/dbraw/zinc/06/16/14/306061614.db2.gz VYUUYLIUAVTIMK-GJZGRUSLSA-N 2 2 337.468 1.377 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548754641 306136819 /nfs/dbraw/zinc/13/68/19/306136819.db2.gz BORVARDESZMXOJ-IYBDPMFKSA-N 2 2 331.460 1.618 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548754641 306136820 /nfs/dbraw/zinc/13/68/20/306136820.db2.gz BORVARDESZMXOJ-IYBDPMFKSA-N 2 2 331.460 1.618 20 0 EDADLP COCC1(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)CC[NH2+]CC1 ZINC000557219481 306226691 /nfs/dbraw/zinc/22/66/91/306226691.db2.gz SFQWHYBRTWXEGW-AWEZNQCLSA-N 2 2 349.479 1.529 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C(C)C)CC2)s1 ZINC000377818330 447371979 /nfs/dbraw/zinc/37/19/79/447371979.db2.gz ZFONZJGIWBVADW-JKSUJKDBSA-N 2 2 336.505 1.730 20 0 EDADLP C[NH2+][C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414966714 447376834 /nfs/dbraw/zinc/37/68/34/447376834.db2.gz DQYXPRGSNAESDZ-CHWSQXEVSA-N 2 2 332.448 1.950 20 0 EDADLP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c(-c2ccccc2Cl)n1 ZINC000414962333 447375519 /nfs/dbraw/zinc/37/55/19/447375519.db2.gz JOJOKKIZUZWPBA-AWEZNQCLSA-N 2 2 333.867 1.734 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c(SC)cc1OC ZINC000414962990 447375533 /nfs/dbraw/zinc/37/55/33/447375533.db2.gz KIXKQEDWDOFEEV-ZDUSSCGKSA-N 2 2 325.478 1.419 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000414962745 447375775 /nfs/dbraw/zinc/37/57/75/447375775.db2.gz KCCAHKXATYZHGM-NSHDSACASA-N 2 2 329.347 1.010 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@H]1O ZINC000426150181 447396225 /nfs/dbraw/zinc/39/62/25/447396225.db2.gz DKCSUSCRXGLGSR-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@H]1O ZINC000426150181 447396229 /nfs/dbraw/zinc/39/62/29/447396229.db2.gz DKCSUSCRXGLGSR-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415428472 447429225 /nfs/dbraw/zinc/42/92/25/447429225.db2.gz OWLLJKPAFBIBBK-AWEZNQCLSA-N 2 2 329.404 1.300 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000080430267 441168562 /nfs/dbraw/zinc/16/85/62/441168562.db2.gz GUZJNQHHYJFVSK-OAHLLOKOSA-N 2 2 343.456 1.531 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCCCn1cc[nH+]c1)Cc1ccccc1 ZINC000072488846 441232970 /nfs/dbraw/zinc/23/29/70/441232970.db2.gz BGGJXLXQYDWCOO-KRWDZBQOSA-N 2 2 329.448 1.745 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000073582607 441328009 /nfs/dbraw/zinc/32/80/09/441328009.db2.gz CLVSXYHGCVIHCF-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000073582607 441328012 /nfs/dbraw/zinc/32/80/12/441328012.db2.gz CLVSXYHGCVIHCF-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000073582607 441328016 /nfs/dbraw/zinc/32/80/16/441328016.db2.gz CLVSXYHGCVIHCF-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000073582607 441328018 /nfs/dbraw/zinc/32/80/18/441328018.db2.gz CLVSXYHGCVIHCF-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C[NH+]1CCOCC1 ZINC000073883323 441365244 /nfs/dbraw/zinc/36/52/44/441365244.db2.gz HTIBGCNGEJSBBM-AEFFLSMTSA-N 2 2 346.475 1.131 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C[NH+]1CCOCC1 ZINC000073883323 441365246 /nfs/dbraw/zinc/36/52/46/441365246.db2.gz HTIBGCNGEJSBBM-AEFFLSMTSA-N 2 2 346.475 1.131 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000051762110 441422862 /nfs/dbraw/zinc/42/28/62/441422862.db2.gz MADURXYWVAOSNU-UHFFFAOYSA-N 2 2 328.416 1.547 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@H+](C)C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000051902498 441428026 /nfs/dbraw/zinc/42/80/26/441428026.db2.gz MJMSQWJLWFWKPC-UHFFFAOYSA-N 2 2 331.464 1.651 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@@H+](C)C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000051902498 441428028 /nfs/dbraw/zinc/42/80/28/441428028.db2.gz MJMSQWJLWFWKPC-UHFFFAOYSA-N 2 2 331.464 1.651 20 0 EDADLP O=c1n2ccccc2nn1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052005604 441430986 /nfs/dbraw/zinc/43/09/86/441430986.db2.gz GADUVNSYEDCARN-UHFFFAOYSA-N 2 2 329.448 1.446 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000074676323 441455998 /nfs/dbraw/zinc/45/59/98/441455998.db2.gz JLRRRANPBJFCMQ-UHFFFAOYSA-N 3 2 346.519 1.846 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000074676323 441456004 /nfs/dbraw/zinc/45/60/04/441456004.db2.gz JLRRRANPBJFCMQ-UHFFFAOYSA-N 3 2 346.519 1.846 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2CO)([NH+]2CCCCC2)CC1 ZINC000074767818 441465534 /nfs/dbraw/zinc/46/55/34/441465534.db2.gz RQNCWOPJVZPZBK-MRXNPFEDSA-N 2 2 338.496 1.103 20 0 EDADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(=O)c(O)co3)CC2)C[C@H](C)O1 ZINC000112631652 441552972 /nfs/dbraw/zinc/55/29/72/441552972.db2.gz IAANHOMJOHODTD-KBPBESRZSA-N 2 2 336.432 1.667 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926886 441596921 /nfs/dbraw/zinc/59/69/21/441596921.db2.gz LWWNOHOFQQNTGY-OAHLLOKOSA-N 2 2 333.480 1.722 20 0 EDADLP O=C(C[N@@H+]1CCCSCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000089983348 441609636 /nfs/dbraw/zinc/60/96/36/441609636.db2.gz FONDQUSXXJWPOS-UHFFFAOYSA-N 2 2 333.501 1.770 20 0 EDADLP O=C(C[N@H+]1CCCSCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000089983348 441609641 /nfs/dbraw/zinc/60/96/41/441609641.db2.gz FONDQUSXXJWPOS-UHFFFAOYSA-N 2 2 333.501 1.770 20 0 EDADLP CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076407341 441642060 /nfs/dbraw/zinc/64/20/60/441642060.db2.gz OFLBWZWSYNDORT-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076407341 441642062 /nfs/dbraw/zinc/64/20/62/441642062.db2.gz OFLBWZWSYNDORT-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000090769904 441643041 /nfs/dbraw/zinc/64/30/41/441643041.db2.gz IFAAKUHFPOOFGQ-RFGFWPKPSA-N 2 2 346.518 1.201 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)CS(=O)(=O)c1cccs1 ZINC000090769904 441643046 /nfs/dbraw/zinc/64/30/46/441643046.db2.gz IFAAKUHFPOOFGQ-RFGFWPKPSA-N 2 2 346.518 1.201 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478016 441662380 /nfs/dbraw/zinc/66/23/80/441662380.db2.gz KJLRAQDMFRAJPO-DLBZAZTESA-N 2 2 333.476 1.762 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478016 441662381 /nfs/dbraw/zinc/66/23/81/441662381.db2.gz KJLRAQDMFRAJPO-DLBZAZTESA-N 2 2 333.476 1.762 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1nc2ccccc2n1C ZINC000091333582 441695738 /nfs/dbraw/zinc/69/57/38/441695738.db2.gz FHCPSGIZFXRKCQ-GJZGRUSLSA-N 2 2 343.475 1.811 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1nc2ccccc2n1C ZINC000091333582 441695744 /nfs/dbraw/zinc/69/57/44/441695744.db2.gz FHCPSGIZFXRKCQ-GJZGRUSLSA-N 2 2 343.475 1.811 20 0 EDADLP C[C@@H](C(=O)N1CC([NH+](C)C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000158467824 441739572 /nfs/dbraw/zinc/73/95/72/441739572.db2.gz VTHLWJXAQIUOBJ-AWEZNQCLSA-N 2 2 334.439 1.109 20 0 EDADLP CC(C)[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000137024262 441739675 /nfs/dbraw/zinc/73/96/75/441739675.db2.gz LJYJAYMJGZGVCQ-INIZCTEOSA-N 2 2 337.468 1.271 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158615042 441750939 /nfs/dbraw/zinc/75/09/39/441750939.db2.gz KNAISAXNOFRAQS-RHSMWYFYSA-N 2 2 330.432 1.729 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158615042 441750947 /nfs/dbraw/zinc/75/09/47/441750947.db2.gz KNAISAXNOFRAQS-RHSMWYFYSA-N 2 2 330.432 1.729 20 0 EDADLP Cc1cccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc(=O)n12 ZINC000158649759 441752099 /nfs/dbraw/zinc/75/20/99/441752099.db2.gz VTHKTLHDLQBBHS-NVXWUHKLSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccc2nc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc(=O)n12 ZINC000158649759 441752105 /nfs/dbraw/zinc/75/21/05/441752105.db2.gz VTHKTLHDLQBBHS-NVXWUHKLSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc(=O)n12 ZINC000158649759 441752109 /nfs/dbraw/zinc/75/21/09/441752109.db2.gz VTHKTLHDLQBBHS-NVXWUHKLSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc(=O)n12 ZINC000158649759 441752116 /nfs/dbraw/zinc/75/21/16/441752116.db2.gz VTHKTLHDLQBBHS-NVXWUHKLSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)[nH+]c1 ZINC000159071197 441786192 /nfs/dbraw/zinc/78/61/92/441786192.db2.gz CIAWHNBOBVYENN-CALCHBBNSA-N 2 2 328.460 1.959 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042909585 441797673 /nfs/dbraw/zinc/79/76/73/441797673.db2.gz FGMJIFPUCVTAOY-ZDUSSCGKSA-N 2 2 326.485 1.316 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565431 441809797 /nfs/dbraw/zinc/80/97/97/441809797.db2.gz UTQCXRFFAUECBX-GPANFISMSA-N 2 2 325.497 1.722 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092565431 441809802 /nfs/dbraw/zinc/80/98/02/441809802.db2.gz UTQCXRFFAUECBX-GPANFISMSA-N 2 2 325.497 1.722 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000173642728 441812110 /nfs/dbraw/zinc/81/21/10/441812110.db2.gz RHJCQOKFZAIRAJ-GFCCVEGCSA-N 2 2 341.402 1.992 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)sc2n1 ZINC000173949683 441866999 /nfs/dbraw/zinc/86/69/99/441866999.db2.gz DBVLHBCMNRXUGN-CYBMUJFWSA-N 2 2 335.477 1.766 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)sc2n1 ZINC000173949683 441867004 /nfs/dbraw/zinc/86/70/04/441867004.db2.gz DBVLHBCMNRXUGN-CYBMUJFWSA-N 2 2 335.477 1.766 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)sc2n1 ZINC000173949683 441867006 /nfs/dbraw/zinc/86/70/06/441867006.db2.gz DBVLHBCMNRXUGN-CYBMUJFWSA-N 2 2 335.477 1.766 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)sc2n1 ZINC000173949683 441867012 /nfs/dbraw/zinc/86/70/12/441867012.db2.gz DBVLHBCMNRXUGN-CYBMUJFWSA-N 2 2 335.477 1.766 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000043147260 441822527 /nfs/dbraw/zinc/82/25/27/441822527.db2.gz HBZUOYHKJWRCOD-UHFFFAOYSA-N 2 2 331.464 1.788 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000174228774 441905486 /nfs/dbraw/zinc/90/54/86/441905486.db2.gz NBQOALMSDDXHPB-KRWDZBQOSA-N 2 2 333.476 1.845 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000174228774 441905491 /nfs/dbraw/zinc/90/54/91/441905491.db2.gz NBQOALMSDDXHPB-KRWDZBQOSA-N 2 2 333.476 1.845 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000118842272 441907298 /nfs/dbraw/zinc/90/72/98/441907298.db2.gz IMABFFURCWLGAK-OAHLLOKOSA-N 2 2 333.432 1.305 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000118842272 441907300 /nfs/dbraw/zinc/90/73/00/441907300.db2.gz IMABFFURCWLGAK-OAHLLOKOSA-N 2 2 333.432 1.305 20 0 EDADLP C[NH+](CC(=O)NCc1ccc2c(c1)OCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842272 441907302 /nfs/dbraw/zinc/90/73/02/441907302.db2.gz IMABFFURCWLGAK-OAHLLOKOSA-N 2 2 333.432 1.305 20 0 EDADLP C[NH+](CC(=O)NCc1ccc2c(c1)OCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842272 441907309 /nfs/dbraw/zinc/90/73/09/441907309.db2.gz IMABFFURCWLGAK-OAHLLOKOSA-N 2 2 333.432 1.305 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCCCN1CCCCCC1=O ZINC000124437017 441926610 /nfs/dbraw/zinc/92/66/10/441926610.db2.gz VRHWMXNRVYHFLA-UHFFFAOYSA-N 2 2 349.479 1.114 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCCCN1CCCCCC1=O ZINC000124437017 441926615 /nfs/dbraw/zinc/92/66/15/441926615.db2.gz VRHWMXNRVYHFLA-UHFFFAOYSA-N 2 2 349.479 1.114 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cn1 ZINC000077985083 441892013 /nfs/dbraw/zinc/89/20/13/441892013.db2.gz OXAQFBMRDFWJRR-KRWDZBQOSA-N 2 2 342.447 1.443 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cn1 ZINC000077985083 441892017 /nfs/dbraw/zinc/89/20/17/441892017.db2.gz OXAQFBMRDFWJRR-KRWDZBQOSA-N 2 2 342.447 1.443 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3CCC[C@@H]3O)CC2)c1 ZINC000078480117 441935066 /nfs/dbraw/zinc/93/50/66/441935066.db2.gz UEDDORQVEVLHRU-OALUTQOASA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3CCC[C@@H]3O)CC2)c1 ZINC000078480117 441935071 /nfs/dbraw/zinc/93/50/71/441935071.db2.gz UEDDORQVEVLHRU-OALUTQOASA-N 2 2 345.487 1.484 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150810735 441954595 /nfs/dbraw/zinc/95/45/95/441954595.db2.gz PIZPHCBAJCVBIV-KRWDZBQOSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150810735 441954604 /nfs/dbraw/zinc/95/46/04/441954604.db2.gz PIZPHCBAJCVBIV-KRWDZBQOSA-N 2 2 331.460 1.729 20 0 EDADLP C[C@H](C(=O)Nc1nccs1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721940 441959338 /nfs/dbraw/zinc/95/93/38/441959338.db2.gz CMKAESUEQAUMEI-CYBMUJFWSA-N 2 2 325.482 1.039 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000174758990 441965298 /nfs/dbraw/zinc/96/52/98/441965298.db2.gz IGRNPVPHGGGVAM-SFHVURJKSA-N 2 2 346.475 1.093 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000174758990 441965304 /nfs/dbraw/zinc/96/53/04/441965304.db2.gz IGRNPVPHGGGVAM-SFHVURJKSA-N 2 2 346.475 1.093 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)C[N@@H+]2CCc3sccc3C2)n1 ZINC000119992905 441989177 /nfs/dbraw/zinc/98/91/77/441989177.db2.gz DJWWASUGOMKYGA-UHFFFAOYSA-N 2 2 333.461 1.503 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)C[N@H+]2CCc3sccc3C2)n1 ZINC000119992905 441989183 /nfs/dbraw/zinc/98/91/83/441989183.db2.gz DJWWASUGOMKYGA-UHFFFAOYSA-N 2 2 333.461 1.503 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000151005697 441989394 /nfs/dbraw/zinc/98/93/94/441989394.db2.gz QDMTWPUIOXTBIM-UKRRQHHQSA-N 2 2 348.472 1.765 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000175381897 442051929 /nfs/dbraw/zinc/05/19/29/442051929.db2.gz JDKNAUMBHXBCJR-VGWMRTNUSA-N 2 2 339.480 1.344 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000162013663 442055362 /nfs/dbraw/zinc/05/53/62/442055362.db2.gz OZNVUQJMXRDXBO-WMZOPIPTSA-N 2 2 334.460 1.912 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000120520176 442087980 /nfs/dbraw/zinc/08/79/80/442087980.db2.gz ABPMSFAITXGFIP-SFHVURJKSA-N 2 2 333.480 1.071 20 0 EDADLP C[C@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000080054257 442110910 /nfs/dbraw/zinc/11/09/10/442110910.db2.gz BBJYBNFJHUIYDM-MRXNPFEDSA-N 2 2 331.464 1.645 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000079997552 442105093 /nfs/dbraw/zinc/10/50/93/442105093.db2.gz HSTATHOPMLGOEU-SJCJKPOMSA-N 2 2 346.406 1.828 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000079997552 442105096 /nfs/dbraw/zinc/10/50/96/442105096.db2.gz HSTATHOPMLGOEU-SJCJKPOMSA-N 2 2 346.406 1.828 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@H]2CSC[NH2+]2)[NH+]2CCCC2)c1 ZINC000163640524 442177885 /nfs/dbraw/zinc/17/78/85/442177885.db2.gz WBERVABMAWVYFB-HZPDHXFCSA-N 2 2 335.473 1.611 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)C1CC1 ZINC000127227186 442183275 /nfs/dbraw/zinc/18/32/75/442183275.db2.gz MWKYJBCCAQOCQY-HNNXBMFYSA-N 2 2 331.464 1.834 20 0 EDADLP O=C(NCCCC[NH+]1CCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000164169819 442191395 /nfs/dbraw/zinc/19/13/95/442191395.db2.gz BPIXACMORGMKOX-INIZCTEOSA-N 2 2 331.464 1.836 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000164675484 442201028 /nfs/dbraw/zinc/20/10/28/442201028.db2.gz TVIPTNXSRGNFEO-LZWOXQAQSA-N 2 2 332.448 1.454 20 0 EDADLP C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1C ZINC000176024008 442162903 /nfs/dbraw/zinc/16/29/03/442162903.db2.gz BCFMDWLIMMPUMW-BZUAXINKSA-N 2 2 325.497 1.628 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000170742062 442256514 /nfs/dbraw/zinc/25/65/14/442256514.db2.gz KLIGETVLIUVQDE-XHSDSOJGSA-N 2 2 335.452 1.166 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000170742062 442256516 /nfs/dbraw/zinc/25/65/16/442256516.db2.gz KLIGETVLIUVQDE-XHSDSOJGSA-N 2 2 335.452 1.166 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000176625668 442241408 /nfs/dbraw/zinc/24/14/08/442241408.db2.gz HDUPDQCMRKBAKD-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000176625668 442241410 /nfs/dbraw/zinc/24/14/10/442241410.db2.gz HDUPDQCMRKBAKD-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000176625668 442241411 /nfs/dbraw/zinc/24/14/11/442241411.db2.gz HDUPDQCMRKBAKD-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000176625668 442241413 /nfs/dbraw/zinc/24/14/13/442241413.db2.gz HDUPDQCMRKBAKD-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP CCOC(=O)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177086115 442295222 /nfs/dbraw/zinc/29/52/22/442295222.db2.gz TZNZNYFWLLBSAX-UHFFFAOYSA-N 2 2 329.404 1.932 20 0 EDADLP CCOC(=O)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177086115 442295226 /nfs/dbraw/zinc/29/52/26/442295226.db2.gz TZNZNYFWLLBSAX-UHFFFAOYSA-N 2 2 329.404 1.932 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2c[nH]nc2-c2ccccc2)CC1 ZINC000177131902 442302225 /nfs/dbraw/zinc/30/22/25/442302225.db2.gz SNJYYPPSPLILFW-UHFFFAOYSA-N 2 2 341.459 1.833 20 0 EDADLP Cc1ccc(NC(=O)C[NH+](C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000170769360 442260501 /nfs/dbraw/zinc/26/05/01/442260501.db2.gz IWYCXCXLOHSURO-UHFFFAOYSA-N 2 2 332.448 1.920 20 0 EDADLP C[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171365657 442343650 /nfs/dbraw/zinc/34/36/50/442343650.db2.gz FDOLMOHFVWWVBT-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171365657 442343653 /nfs/dbraw/zinc/34/36/53/442343653.db2.gz FDOLMOHFVWWVBT-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(C)c2)CC1 ZINC000171392647 442344959 /nfs/dbraw/zinc/34/49/59/442344959.db2.gz DCDBGIBMCWIECA-MRXNPFEDSA-N 2 2 333.476 1.988 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(C)c2)CC1 ZINC000171392647 442344962 /nfs/dbraw/zinc/34/49/62/442344962.db2.gz DCDBGIBMCWIECA-MRXNPFEDSA-N 2 2 333.476 1.988 20 0 EDADLP CCCCCNC(=O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154023762 442317224 /nfs/dbraw/zinc/31/72/24/442317224.db2.gz VUUUMZMHQYDVGE-ROUUACIJSA-N 2 2 338.540 1.783 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000154053934 442318610 /nfs/dbraw/zinc/31/86/10/442318610.db2.gz CYCZPIWIKMNQPL-HNNXBMFYSA-N 2 2 338.452 1.074 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000177850843 442391320 /nfs/dbraw/zinc/39/13/20/442391320.db2.gz NLVMJSQMZSOEDU-HNNXBMFYSA-N 2 2 342.447 1.751 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000177850843 442391322 /nfs/dbraw/zinc/39/13/22/442391322.db2.gz NLVMJSQMZSOEDU-HNNXBMFYSA-N 2 2 342.447 1.751 20 0 EDADLP COC(=O)c1ccc(N2CC[N@H+](CCn3cc[nH+]c3)[C@H](C)C2)cc1 ZINC000130942698 442360714 /nfs/dbraw/zinc/36/07/14/442360714.db2.gz WWHGKGPOTFZGBV-OAHLLOKOSA-N 2 2 328.416 1.880 20 0 EDADLP COC(=O)c1ccc(N2CC[N@@H+](CCn3cc[nH+]c3)[C@H](C)C2)cc1 ZINC000130942698 442360718 /nfs/dbraw/zinc/36/07/18/442360718.db2.gz WWHGKGPOTFZGBV-OAHLLOKOSA-N 2 2 328.416 1.880 20 0 EDADLP COCCC[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000178249075 442418532 /nfs/dbraw/zinc/41/85/32/442418532.db2.gz WSAFDSMUORMEGO-INIZCTEOSA-N 2 2 334.464 1.525 20 0 EDADLP C[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000133905289 442439810 /nfs/dbraw/zinc/43/98/10/442439810.db2.gz JTDAZVXRYUNAPZ-OAHLLOKOSA-N 2 2 328.416 1.570 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000172348690 442448067 /nfs/dbraw/zinc/44/80/67/442448067.db2.gz YULMOWKHOHZKRQ-MRXNPFEDSA-N 2 2 327.476 1.785 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C2)CC1 ZINC000172348690 442448070 /nfs/dbraw/zinc/44/80/70/442448070.db2.gz YULMOWKHOHZKRQ-MRXNPFEDSA-N 2 2 327.476 1.785 20 0 EDADLP CN(CCCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000172350587 442448202 /nfs/dbraw/zinc/44/82/02/442448202.db2.gz DHUZZBKIBTYILT-GOSISDBHSA-N 2 2 346.519 1.903 20 0 EDADLP CN(CCCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000172350587 442448204 /nfs/dbraw/zinc/44/82/04/442448204.db2.gz DHUZZBKIBTYILT-GOSISDBHSA-N 2 2 346.519 1.903 20 0 EDADLP CN(CCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000172350587 442448206 /nfs/dbraw/zinc/44/82/06/442448206.db2.gz DHUZZBKIBTYILT-GOSISDBHSA-N 2 2 346.519 1.903 20 0 EDADLP CN(CCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000172350587 442448208 /nfs/dbraw/zinc/44/82/08/442448208.db2.gz DHUZZBKIBTYILT-GOSISDBHSA-N 2 2 346.519 1.903 20 0 EDADLP Cc1cncc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000134111202 442451199 /nfs/dbraw/zinc/45/11/99/442451199.db2.gz BJAOWYWQJRSDGA-UHFFFAOYSA-N 2 2 345.491 1.748 20 0 EDADLP CC[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000134552767 442494237 /nfs/dbraw/zinc/49/42/37/442494237.db2.gz CHJUEVCRWUKYJM-HKUYNNGSSA-N 2 2 331.460 1.536 20 0 EDADLP CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000134552767 442494242 /nfs/dbraw/zinc/49/42/42/442494242.db2.gz CHJUEVCRWUKYJM-HKUYNNGSSA-N 2 2 331.460 1.536 20 0 EDADLP CC[C@@]1(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000134565132 442495117 /nfs/dbraw/zinc/49/51/17/442495117.db2.gz GZCOQMMIWCVCCR-KDOFPFPSSA-N 2 2 332.448 1.455 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191534993 442459998 /nfs/dbraw/zinc/45/99/98/442459998.db2.gz QYZGYYNJEFWLQA-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191534993 442460003 /nfs/dbraw/zinc/46/00/03/442460003.db2.gz QYZGYYNJEFWLQA-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191534993 442460005 /nfs/dbraw/zinc/46/00/05/442460005.db2.gz QYZGYYNJEFWLQA-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000191534993 442460009 /nfs/dbraw/zinc/46/00/09/442460009.db2.gz QYZGYYNJEFWLQA-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H](CNC(=O)c1csc(C[NH3+])n1)[N@@H+]1CCc2sccc2C1 ZINC000178713561 442460652 /nfs/dbraw/zinc/46/06/52/442460652.db2.gz AMDMYKJZPHNSAS-SNVBAGLBSA-N 2 2 336.486 1.840 20 0 EDADLP C[C@H](CNC(=O)c1csc(C[NH3+])n1)[N@H+]1CCc2sccc2C1 ZINC000178713561 442460658 /nfs/dbraw/zinc/46/06/58/442460658.db2.gz AMDMYKJZPHNSAS-SNVBAGLBSA-N 2 2 336.486 1.840 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H](CO)C(C)(C)C ZINC000134385524 442477142 /nfs/dbraw/zinc/47/71/42/442477142.db2.gz NQRUTHATEKYNRW-INIZCTEOSA-N 2 2 337.464 1.263 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H](CO)C(C)(C)C ZINC000134385524 442477145 /nfs/dbraw/zinc/47/71/45/442477145.db2.gz NQRUTHATEKYNRW-INIZCTEOSA-N 2 2 337.464 1.263 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000179093258 442569713 /nfs/dbraw/zinc/56/97/13/442569713.db2.gz NRMNCBFVVORLMP-SJORKVTESA-N 2 2 332.448 1.063 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000179093258 442569719 /nfs/dbraw/zinc/56/97/19/442569719.db2.gz NRMNCBFVVORLMP-SJORKVTESA-N 2 2 332.448 1.063 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000186693843 442593539 /nfs/dbraw/zinc/59/35/39/442593539.db2.gz INANFKSARADLML-IRXDYDNUSA-N 2 2 338.496 1.148 20 0 EDADLP C[C@@H](CNc1ccccc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179303849 442617663 /nfs/dbraw/zinc/61/76/63/442617663.db2.gz BQQLVGGUVQGKNV-INIZCTEOSA-N 2 2 347.507 1.812 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000186832348 442618907 /nfs/dbraw/zinc/61/89/07/442618907.db2.gz HJDHXBIWCYEETG-SJLPKXTDSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000187395883 442674010 /nfs/dbraw/zinc/67/40/10/442674010.db2.gz QWQZFVSFEKPLGO-CQSZACIVSA-N 2 2 349.479 1.134 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@H+]1CC(C)(C)O ZINC000187395883 442674012 /nfs/dbraw/zinc/67/40/12/442674012.db2.gz QWQZFVSFEKPLGO-CQSZACIVSA-N 2 2 349.479 1.134 20 0 EDADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000181022468 442675213 /nfs/dbraw/zinc/67/52/13/442675213.db2.gz JGOJYHVYHUZDHN-IEBWSBKVSA-N 2 2 345.487 1.887 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000181028814 442675990 /nfs/dbraw/zinc/67/59/90/442675990.db2.gz UZWBBJMXQNKNSK-MSOLQXFVSA-N 2 2 337.508 1.868 20 0 EDADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000181037076 442676720 /nfs/dbraw/zinc/67/67/20/442676720.db2.gz VWGJDEDKIWZQDQ-HUUCEWRRSA-N 2 2 335.448 1.426 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181072251 442679348 /nfs/dbraw/zinc/67/93/48/442679348.db2.gz TZFABFCKWSYTHM-CQSZACIVSA-N 2 2 341.415 1.579 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181072251 442679349 /nfs/dbraw/zinc/67/93/49/442679349.db2.gz TZFABFCKWSYTHM-CQSZACIVSA-N 2 2 341.415 1.579 20 0 EDADLP COc1ccc([C@H](NC(=O)c2coc(C[NH3+])c2)c2[nH+]ccn2C)cc1 ZINC000188045648 442705159 /nfs/dbraw/zinc/70/51/59/442705159.db2.gz BCSOKWMFQGHIAM-INIZCTEOSA-N 2 2 340.383 2.000 20 0 EDADLP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+]1CCO ZINC000187296454 442668060 /nfs/dbraw/zinc/66/80/60/442668060.db2.gz UEUBFIABAZOYFD-AWEZNQCLSA-N 2 2 345.443 1.633 20 0 EDADLP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@H+]1CCO ZINC000187296454 442668061 /nfs/dbraw/zinc/66/80/61/442668061.db2.gz UEUBFIABAZOYFD-AWEZNQCLSA-N 2 2 345.443 1.633 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCSCC1 ZINC000187348744 442671316 /nfs/dbraw/zinc/67/13/16/442671316.db2.gz LRJGFLWFBITHHE-GDBMZVCRSA-N 2 2 341.521 1.041 20 0 EDADLP COCc1noc([C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000181937605 442722821 /nfs/dbraw/zinc/72/28/21/442722821.db2.gz SFTDICZZSYITTM-AWEZNQCLSA-N 2 2 338.452 1.854 20 0 EDADLP C[C@@H](CN1CCOCC1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188279091 442733084 /nfs/dbraw/zinc/73/30/84/442733084.db2.gz LUEBHCXTHPORTK-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188279091 442733085 /nfs/dbraw/zinc/73/30/85/442733085.db2.gz LUEBHCXTHPORTK-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](CN1CCOCC1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188279091 442733086 /nfs/dbraw/zinc/73/30/86/442733086.db2.gz LUEBHCXTHPORTK-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](CN1CCOCC1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188279091 442733087 /nfs/dbraw/zinc/73/30/87/442733087.db2.gz LUEBHCXTHPORTK-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188279091 442733088 /nfs/dbraw/zinc/73/30/88/442733088.db2.gz LUEBHCXTHPORTK-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188279091 442733089 /nfs/dbraw/zinc/73/30/89/442733089.db2.gz LUEBHCXTHPORTK-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)cn1 ZINC000182113388 442737232 /nfs/dbraw/zinc/73/72/32/442737232.db2.gz XSVUZPPMILERFV-SFHVURJKSA-N 2 2 341.459 1.637 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)cn1 ZINC000182113388 442737233 /nfs/dbraw/zinc/73/72/33/442737233.db2.gz XSVUZPPMILERFV-SFHVURJKSA-N 2 2 341.459 1.637 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000193587802 442756917 /nfs/dbraw/zinc/75/69/17/442756917.db2.gz FJHVUYZKEOPKDN-SJORKVTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000193587802 442756919 /nfs/dbraw/zinc/75/69/19/442756919.db2.gz FJHVUYZKEOPKDN-SJORKVTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000193820641 442793316 /nfs/dbraw/zinc/79/33/16/442793316.db2.gz IMBSZMYCUCRJRM-VVLHAWIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000193820641 442793321 /nfs/dbraw/zinc/79/33/21/442793321.db2.gz IMBSZMYCUCRJRM-VVLHAWIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193841637 442796298 /nfs/dbraw/zinc/79/62/98/442796298.db2.gz ABZHTDIVVGKRGL-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+]1CCC[C@H]2C[NH+](CCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000246931091 442822210 /nfs/dbraw/zinc/82/22/10/442822210.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@H]2C[NH+](CCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000246931091 442822214 /nfs/dbraw/zinc/82/22/14/442822214.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(CC[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000246931091 442822217 /nfs/dbraw/zinc/82/22/17/442822217.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(CC[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000246931091 442822218 /nfs/dbraw/zinc/82/22/18/442822218.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2C[NH+](CCN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000246931091 442822223 /nfs/dbraw/zinc/82/22/23/442822223.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2C[NH+](CCN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000246931091 442822224 /nfs/dbraw/zinc/82/22/24/442822224.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CCN3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000246931091 442822228 /nfs/dbraw/zinc/82/22/28/442822228.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000246931091 442822230 /nfs/dbraw/zinc/82/22/30/442822230.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 3 2 334.552 1.819 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247015831 442828358 /nfs/dbraw/zinc/82/83/58/442828358.db2.gz UICXYRMHGOTBLI-WCXIOVBPSA-N 2 2 336.480 1.769 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247015831 442828362 /nfs/dbraw/zinc/82/83/62/442828362.db2.gz UICXYRMHGOTBLI-WCXIOVBPSA-N 2 2 336.480 1.769 20 0 EDADLP C[C@@H]1CSCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265629066 442851733 /nfs/dbraw/zinc/85/17/33/442851733.db2.gz CVTXDYYOACNAIL-MRXNPFEDSA-N 2 2 333.501 1.768 20 0 EDADLP C[C@@H]1CSCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265629066 442851735 /nfs/dbraw/zinc/85/17/35/442851735.db2.gz CVTXDYYOACNAIL-MRXNPFEDSA-N 2 2 333.501 1.768 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000175582223 318439284 /nfs/dbraw/zinc/43/92/84/318439284.db2.gz ILILRQDQYPJYOE-UHFFFAOYSA-N 2 2 340.418 1.790 20 0 EDADLP CC(C)CO[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179281757 318455562 /nfs/dbraw/zinc/45/55/62/318455562.db2.gz KXPDCJSFQWFJEI-KRWDZBQOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248214859 442886289 /nfs/dbraw/zinc/88/62/89/442886289.db2.gz ZKUCHNPCUYAGGP-NJAFHUGGSA-N 2 2 333.476 1.326 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248214859 442886295 /nfs/dbraw/zinc/88/62/95/442886295.db2.gz ZKUCHNPCUYAGGP-NJAFHUGGSA-N 2 2 333.476 1.326 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000247472454 442855672 /nfs/dbraw/zinc/85/56/72/442855672.db2.gz HFFFXCLYIWWUOE-CABCVRRESA-N 2 2 335.452 1.757 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000247472454 442855676 /nfs/dbraw/zinc/85/56/76/442855676.db2.gz HFFFXCLYIWWUOE-CABCVRRESA-N 2 2 335.452 1.757 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CC[NH+](CC3CC3)CC2)[nH+]c1 ZINC000194475734 442904279 /nfs/dbraw/zinc/90/42/79/442904279.db2.gz ITWBHAMEYOHJFT-UHFFFAOYSA-N 2 2 331.464 1.929 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000265789923 442922187 /nfs/dbraw/zinc/92/21/87/442922187.db2.gz IHIUPLSURXKCEG-UHFFFAOYSA-N 2 2 344.503 1.602 20 0 EDADLP CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000265789923 442922192 /nfs/dbraw/zinc/92/21/92/442922192.db2.gz IHIUPLSURXKCEG-UHFFFAOYSA-N 2 2 344.503 1.602 20 0 EDADLP C[C@H]1COC[C@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265889949 442959042 /nfs/dbraw/zinc/95/90/42/442959042.db2.gz RARGVONAQAOYDV-IRXDYDNUSA-N 2 2 331.460 1.440 20 0 EDADLP c1nc(NCCCC[NH+]2CCOCC2)cc(N2CCSCC2)[nH+]1 ZINC000265977048 442991065 /nfs/dbraw/zinc/99/10/65/442991065.db2.gz DLQGERZWNUXJAJ-UHFFFAOYSA-N 2 2 337.493 1.554 20 0 EDADLP c1nc(N2CCSCC2)cc(NCCCC[NH+]2CCOCC2)[nH+]1 ZINC000265977048 442991068 /nfs/dbraw/zinc/99/10/68/442991068.db2.gz DLQGERZWNUXJAJ-UHFFFAOYSA-N 2 2 337.493 1.554 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000251083806 443013756 /nfs/dbraw/zinc/01/37/56/443013756.db2.gz IOUSZLDVGHVMCP-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000251083806 443013762 /nfs/dbraw/zinc/01/37/62/443013762.db2.gz IOUSZLDVGHVMCP-AEFFLSMTSA-N 2 2 346.475 1.405 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CCSC1 ZINC000268546801 443029743 /nfs/dbraw/zinc/02/97/43/443029743.db2.gz MBVIDEHBUHLWRA-MRXNPFEDSA-N 2 2 333.461 1.571 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184928766 443100357 /nfs/dbraw/zinc/10/03/57/443100357.db2.gz TWVDNJBBBLHUNY-CQSZACIVSA-N 2 2 334.468 1.347 20 0 EDADLP COC[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000268863873 443130043 /nfs/dbraw/zinc/13/00/43/443130043.db2.gz SGMAMVRGSPKMEN-OALUTQOASA-N 2 2 347.503 1.776 20 0 EDADLP COC[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000268863873 443130048 /nfs/dbraw/zinc/13/00/48/443130048.db2.gz SGMAMVRGSPKMEN-OALUTQOASA-N 2 2 347.503 1.776 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000237309800 443167778 /nfs/dbraw/zinc/16/77/78/443167778.db2.gz KTRSKKGJKWJESM-BBWFWOEESA-N 2 2 349.500 1.179 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000237309800 443167784 /nfs/dbraw/zinc/16/77/84/443167784.db2.gz KTRSKKGJKWJESM-BBWFWOEESA-N 2 2 349.500 1.179 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C[C@H]1CCCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000261853119 443171872 /nfs/dbraw/zinc/17/18/72/443171872.db2.gz YFNBHALRJSQBJZ-CVEARBPZSA-N 2 2 346.475 1.850 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000237899870 443187643 /nfs/dbraw/zinc/18/76/43/443187643.db2.gz GNQPHGNPEYATQP-KRWDZBQOSA-N 2 2 342.443 1.359 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC[C@H](C)C1 ZINC000245391569 443221631 /nfs/dbraw/zinc/22/16/31/443221631.db2.gz QPXBZQRAOFNKFM-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC[C@H](C)C1 ZINC000245391569 443221634 /nfs/dbraw/zinc/22/16/34/443221634.db2.gz QPXBZQRAOFNKFM-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000245391569 443221635 /nfs/dbraw/zinc/22/16/35/443221635.db2.gz QPXBZQRAOFNKFM-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000245391569 443221637 /nfs/dbraw/zinc/22/16/37/443221637.db2.gz QPXBZQRAOFNKFM-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190951433 443213626 /nfs/dbraw/zinc/21/36/26/443213626.db2.gz RILPXFOJUAKYFQ-UHFFFAOYSA-N 2 2 327.432 1.126 20 0 EDADLP CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000266798420 443245883 /nfs/dbraw/zinc/24/58/83/443245883.db2.gz CMSMGARXTFUPQR-INIZCTEOSA-N 2 2 331.460 1.590 20 0 EDADLP CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000266798420 443245886 /nfs/dbraw/zinc/24/58/86/443245886.db2.gz CMSMGARXTFUPQR-INIZCTEOSA-N 2 2 331.460 1.590 20 0 EDADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000269242694 443247740 /nfs/dbraw/zinc/24/77/40/443247740.db2.gz RJGFHSGQEPWYKN-MRXNPFEDSA-N 2 2 337.851 1.363 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cn2c1 ZINC000266809803 443250310 /nfs/dbraw/zinc/25/03/10/443250310.db2.gz WBXJHHBHSKDPSY-INIZCTEOSA-N 2 2 325.416 1.798 20 0 EDADLP Cc1cccn2c(C[NH2+]C[C@H]3CCC[C@]34NC(=O)N(C)C4=O)c[nH+]c12 ZINC000360024883 319116070 /nfs/dbraw/zinc/11/60/70/319116070.db2.gz WQYGPUWYIUZFAG-ACJLOTCBSA-N 2 2 341.415 1.453 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414076990 319315771 /nfs/dbraw/zinc/31/57/71/319315771.db2.gz YOWNHYDYFQMJMV-NEPJUHHUSA-N 2 2 339.237 1.874 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C2)cc1OC ZINC000414542854 319329570 /nfs/dbraw/zinc/32/95/70/319329570.db2.gz LRMZJQYSVFPWEF-HNNXBMFYSA-N 2 2 335.448 1.394 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C2)cc1OC ZINC000414542854 319329572 /nfs/dbraw/zinc/32/95/72/319329572.db2.gz LRMZJQYSVFPWEF-HNNXBMFYSA-N 2 2 335.448 1.394 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)C1 ZINC000414689738 319342748 /nfs/dbraw/zinc/34/27/48/319342748.db2.gz GSVAZIZEPJZFSI-YOEHRIQHSA-N 2 2 335.423 1.396 20 0 EDADLP Cc1cc(C)c(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c[nH+]1 ZINC000415259083 319357918 /nfs/dbraw/zinc/35/79/18/319357918.db2.gz SYURKIGCCKMHLF-UHFFFAOYSA-N 2 2 338.411 1.599 20 0 EDADLP C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415741867 319369013 /nfs/dbraw/zinc/36/90/13/319369013.db2.gz KHVXOCJJFWEHBD-BLLLJJGKSA-N 2 2 340.383 1.761 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000264382215 443271283 /nfs/dbraw/zinc/27/12/83/443271283.db2.gz POUNOXUNIZJWKQ-KRWDZBQOSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000264382215 443271286 /nfs/dbraw/zinc/27/12/86/443271286.db2.gz POUNOXUNIZJWKQ-KRWDZBQOSA-N 2 2 347.503 1.812 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000266929041 443294012 /nfs/dbraw/zinc/29/40/12/443294012.db2.gz OCZZKCLBFZOWTP-UHFFFAOYSA-N 2 2 331.395 1.710 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000266953772 443302238 /nfs/dbraw/zinc/30/22/38/443302238.db2.gz XXLGPEWFGXZGDN-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000266953772 443302240 /nfs/dbraw/zinc/30/22/40/443302240.db2.gz XXLGPEWFGXZGDN-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000266953772 443302242 /nfs/dbraw/zinc/30/22/42/443302242.db2.gz XXLGPEWFGXZGDN-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000266953772 443302244 /nfs/dbraw/zinc/30/22/44/443302244.db2.gz XXLGPEWFGXZGDN-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000416853143 319467078 /nfs/dbraw/zinc/46/70/78/319467078.db2.gz NLXYMZVHUBGRQK-AWEZNQCLSA-N 2 2 331.420 1.104 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000264561367 443327215 /nfs/dbraw/zinc/32/72/15/443327215.db2.gz QVJFSHYGBMZDRB-KRWDZBQOSA-N 2 2 328.416 1.382 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000264561367 443327218 /nfs/dbraw/zinc/32/72/18/443327218.db2.gz QVJFSHYGBMZDRB-KRWDZBQOSA-N 2 2 328.416 1.382 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000264687163 443375284 /nfs/dbraw/zinc/37/52/84/443375284.db2.gz FRNNVPYMUNLAOD-UHFFFAOYSA-N 2 2 328.416 1.845 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCCN(c3nc4c(cnn4C)c(N)[nH+]3)C2)CC1 ZINC000278519156 443351342 /nfs/dbraw/zinc/35/13/42/443351342.db2.gz YWHFBOPKLMYRGF-AWEZNQCLSA-N 2 2 343.479 1.894 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2OC(=O)c3ccccc32)CC1 ZINC000267266550 443398972 /nfs/dbraw/zinc/39/89/72/443398972.db2.gz PFWMRWXWHLKAAY-QGZVFWFLSA-N 2 2 345.443 1.430 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000271151217 443492749 /nfs/dbraw/zinc/49/27/49/443492749.db2.gz DJWPIKRQAWEVAA-UHFFFAOYSA-N 2 2 333.476 1.412 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000271151217 443492754 /nfs/dbraw/zinc/49/27/54/443492754.db2.gz DJWPIKRQAWEVAA-UHFFFAOYSA-N 2 2 333.476 1.412 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(=O)[nH]n1 ZINC000278994611 443484816 /nfs/dbraw/zinc/48/48/16/443484816.db2.gz QPBLJAUEYJIPTP-CABCVRRESA-N 2 2 342.443 1.841 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(=O)[nH]n1 ZINC000278994611 443484820 /nfs/dbraw/zinc/48/48/20/443484820.db2.gz QPBLJAUEYJIPTP-CABCVRRESA-N 2 2 342.443 1.841 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000278998820 443485895 /nfs/dbraw/zinc/48/58/95/443485895.db2.gz QZWYPWZSTXMJDS-QGZVFWFLSA-N 2 2 328.464 1.510 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000270097929 443460251 /nfs/dbraw/zinc/46/02/51/443460251.db2.gz BKXOCMFLNSOGDL-CQSZACIVSA-N 2 2 341.415 1.361 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)N1CCNC1=O ZINC000270097929 443460254 /nfs/dbraw/zinc/46/02/54/443460254.db2.gz BKXOCMFLNSOGDL-CQSZACIVSA-N 2 2 341.415 1.361 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC000270108037 443460547 /nfs/dbraw/zinc/46/05/47/443460547.db2.gz CUQMRFMQKJOBQT-AWEZNQCLSA-N 2 2 336.461 1.358 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC000270108037 443460552 /nfs/dbraw/zinc/46/05/52/443460552.db2.gz CUQMRFMQKJOBQT-AWEZNQCLSA-N 2 2 336.461 1.358 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000278870176 443467924 /nfs/dbraw/zinc/46/79/24/443467924.db2.gz VTEAFHCHMQEDRH-KRWDZBQOSA-N 2 2 342.443 1.534 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000278870176 443467927 /nfs/dbraw/zinc/46/79/27/443467927.db2.gz VTEAFHCHMQEDRH-KRWDZBQOSA-N 2 2 342.443 1.534 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000278870176 443467931 /nfs/dbraw/zinc/46/79/31/443467931.db2.gz VTEAFHCHMQEDRH-KRWDZBQOSA-N 2 2 342.443 1.534 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000278870176 443467933 /nfs/dbraw/zinc/46/79/33/443467933.db2.gz VTEAFHCHMQEDRH-KRWDZBQOSA-N 2 2 342.443 1.534 20 0 EDADLP OC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000423160775 319752994 /nfs/dbraw/zinc/75/29/94/319752994.db2.gz NAWQJKBTJZLCPA-ZWNOBZJWSA-N 2 2 331.229 1.691 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000279098124 443512733 /nfs/dbraw/zinc/51/27/33/443512733.db2.gz UZAPRDBVHOUWGK-QGZVFWFLSA-N 2 2 328.464 1.510 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)c[nH+]2)CCO1 ZINC000273023091 443521276 /nfs/dbraw/zinc/52/12/76/443521276.db2.gz XVVVUNBZCAKYQM-KDOFPFPSSA-N 2 2 332.448 1.455 20 0 EDADLP CNC(=O)[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286110207 443647804 /nfs/dbraw/zinc/64/78/04/443647804.db2.gz VGHWWTSHCBYWGY-LJQANCHMSA-N 2 2 344.503 1.799 20 0 EDADLP CNC(=O)[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286110207 443647807 /nfs/dbraw/zinc/64/78/07/443647807.db2.gz VGHWWTSHCBYWGY-LJQANCHMSA-N 2 2 344.503 1.799 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)ccc1-n1cncn1 ZINC000449397878 320188324 /nfs/dbraw/zinc/18/83/24/320188324.db2.gz WGBQIDBQBVUFAP-QGZVFWFLSA-N 2 2 329.448 1.512 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)ccc1-n1cncn1 ZINC000449397878 320188326 /nfs/dbraw/zinc/18/83/26/320188326.db2.gz WGBQIDBQBVUFAP-QGZVFWFLSA-N 2 2 329.448 1.512 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449396827 320188705 /nfs/dbraw/zinc/18/87/05/320188705.db2.gz SYBIEXVNXGFWTF-IRXDYDNUSA-N 2 2 325.497 1.604 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449396827 320188706 /nfs/dbraw/zinc/18/87/06/320188706.db2.gz SYBIEXVNXGFWTF-IRXDYDNUSA-N 2 2 325.497 1.604 20 0 EDADLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(-c2ccncc2)n1 ZINC000449398288 320188824 /nfs/dbraw/zinc/18/88/24/320188824.db2.gz XMAIHELVCMGYKO-QGZVFWFLSA-N 2 2 329.448 1.419 20 0 EDADLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(-c2ccncc2)n1 ZINC000449398288 320188827 /nfs/dbraw/zinc/18/88/27/320188827.db2.gz XMAIHELVCMGYKO-QGZVFWFLSA-N 2 2 329.448 1.419 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1-n1ccnn1 ZINC000453262239 320261447 /nfs/dbraw/zinc/26/14/47/320261447.db2.gz KNPWJRGWRTXZJA-HOTGVXAUSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccccc1-n1ccnn1 ZINC000453262239 320261448 /nfs/dbraw/zinc/26/14/48/320261448.db2.gz KNPWJRGWRTXZJA-HOTGVXAUSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cncn2)cc1 ZINC000453271897 320261775 /nfs/dbraw/zinc/26/17/75/320261775.db2.gz UPOGUTCGNBCVLM-QAPCUYQASA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(-n2cncn2)cc1 ZINC000453271897 320261777 /nfs/dbraw/zinc/26/17/77/320261777.db2.gz UPOGUTCGNBCVLM-QAPCUYQASA-N 2 2 329.448 1.765 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000453960482 320273240 /nfs/dbraw/zinc/27/32/40/320273240.db2.gz GEGFVKHBKZAALU-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000453960482 320273241 /nfs/dbraw/zinc/27/32/41/320273241.db2.gz GEGFVKHBKZAALU-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NCC[N@@H+]1CCCOCC1 ZINC000454993431 320298402 /nfs/dbraw/zinc/29/84/02/320298402.db2.gz CPIYWZJZKIVIOH-UHFFFAOYSA-N 2 2 335.452 1.295 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NCC[N@H+]1CCCOCC1 ZINC000454993431 320298403 /nfs/dbraw/zinc/29/84/03/320298403.db2.gz CPIYWZJZKIVIOH-UHFFFAOYSA-N 2 2 335.452 1.295 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456979729 320315792 /nfs/dbraw/zinc/31/57/92/320315792.db2.gz BZHHFCOMKMTLCO-SFHVURJKSA-N 2 2 331.460 1.662 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079491 320319120 /nfs/dbraw/zinc/31/91/20/320319120.db2.gz FMNYUGVNHJAWSS-ZDUSSCGKSA-N 2 2 337.386 1.192 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079491 320319121 /nfs/dbraw/zinc/31/91/21/320319121.db2.gz FMNYUGVNHJAWSS-ZDUSSCGKSA-N 2 2 337.386 1.192 20 0 EDADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H](C)O ZINC000458458187 320336941 /nfs/dbraw/zinc/33/69/41/320336941.db2.gz BRKRPMWEBGIEPZ-CVEARBPZSA-N 2 2 340.512 1.395 20 0 EDADLP C[C@@H]1CN(C(=O)NCCC(C)(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000458890844 320343745 /nfs/dbraw/zinc/34/37/45/320343745.db2.gz ULLZRLWELYBYRS-CYBMUJFWSA-N 2 2 332.439 1.842 20 0 EDADLP C[C@@H]1CN(C(=O)NCCC(C)(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000458890844 320343746 /nfs/dbraw/zinc/34/37/46/320343746.db2.gz ULLZRLWELYBYRS-CYBMUJFWSA-N 2 2 332.439 1.842 20 0 EDADLP Cn1ccnc1[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1C ZINC000280289709 443692060 /nfs/dbraw/zinc/69/20/60/443692060.db2.gz ZLENKJCITDPLGU-INIZCTEOSA-N 2 2 337.431 1.490 20 0 EDADLP Cn1ccnc1[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1C ZINC000280289709 443692062 /nfs/dbraw/zinc/69/20/62/443692062.db2.gz ZLENKJCITDPLGU-INIZCTEOSA-N 2 2 337.431 1.490 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[NH+](CC3CCCCC3)CC2)nc[nH+]1 ZINC000514587765 320429097 /nfs/dbraw/zinc/42/90/97/320429097.db2.gz WQRGPZXMVHXBCK-OAHLLOKOSA-N 2 2 333.480 1.972 20 0 EDADLP CCn1cnc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000616380832 450406062 /nfs/dbraw/zinc/40/60/62/450406062.db2.gz CEMSQYAFGYWQFU-UHFFFAOYSA-N 2 2 333.480 1.535 20 0 EDADLP CCn1cnc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000616380832 450406068 /nfs/dbraw/zinc/40/60/68/450406068.db2.gz CEMSQYAFGYWQFU-UHFFFAOYSA-N 2 2 333.480 1.535 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000526972962 320500285 /nfs/dbraw/zinc/50/02/85/320500285.db2.gz LTXBYSBJAKEHBM-UHFFFAOYSA-N 2 2 328.420 1.138 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2c[nH+]cn2C)CC1 ZINC000292690841 443818559 /nfs/dbraw/zinc/81/85/59/443818559.db2.gz XYLURRYSBLKBFJ-AWEZNQCLSA-N 2 2 342.447 1.840 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000298678520 443835874 /nfs/dbraw/zinc/83/58/74/443835874.db2.gz WXLATHLVQSYQFB-HNNXBMFYSA-N 2 2 340.493 1.324 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)CC1 ZINC000298721060 443848299 /nfs/dbraw/zinc/84/82/99/443848299.db2.gz FCSXCDMRRDAXBG-INIZCTEOSA-N 2 2 345.422 1.996 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288353040 443853451 /nfs/dbraw/zinc/85/34/51/443853451.db2.gz DHUKJRUOQHGXEZ-IAGOWNOFSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288353040 443853456 /nfs/dbraw/zinc/85/34/56/443853456.db2.gz DHUKJRUOQHGXEZ-IAGOWNOFSA-N 2 2 342.443 1.342 20 0 EDADLP COC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000298743803 443856432 /nfs/dbraw/zinc/85/64/32/443856432.db2.gz UEXZUZXNFBJYOE-GJZGRUSLSA-N 2 2 333.432 1.755 20 0 EDADLP COC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000298743803 443856433 /nfs/dbraw/zinc/85/64/33/443856433.db2.gz UEXZUZXNFBJYOE-GJZGRUSLSA-N 2 2 333.432 1.755 20 0 EDADLP CCN1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000285319804 443941016 /nfs/dbraw/zinc/94/10/16/443941016.db2.gz NPNVXRGOZBIREC-UHFFFAOYSA-N 2 2 344.503 1.753 20 0 EDADLP CCN1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000285319804 443941018 /nfs/dbraw/zinc/94/10/18/443941018.db2.gz NPNVXRGOZBIREC-UHFFFAOYSA-N 2 2 344.503 1.753 20 0 EDADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285319821 443941306 /nfs/dbraw/zinc/94/13/06/443941306.db2.gz NPPPTXMRXYBCPP-SJLPKXTDSA-N 2 2 330.476 1.313 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)cc[nH+]1 ZINC000544778679 320792954 /nfs/dbraw/zinc/79/29/54/320792954.db2.gz SMHCDLMBQHJUCS-UHFFFAOYSA-N 2 2 343.435 1.294 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000277392878 443976460 /nfs/dbraw/zinc/97/64/60/443976460.db2.gz RNHJQKQZQVPVNL-IAGOWNOFSA-N 2 2 333.501 1.814 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000277392878 443976463 /nfs/dbraw/zinc/97/64/63/443976463.db2.gz RNHJQKQZQVPVNL-IAGOWNOFSA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277392878 443976465 /nfs/dbraw/zinc/97/64/65/443976465.db2.gz RNHJQKQZQVPVNL-IAGOWNOFSA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277392878 443976468 /nfs/dbraw/zinc/97/64/68/443976468.db2.gz RNHJQKQZQVPVNL-IAGOWNOFSA-N 2 2 333.501 1.814 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[N@@H+]1C1CC1 ZINC000288852637 443999158 /nfs/dbraw/zinc/99/91/58/443999158.db2.gz FFGUWVAYCGLGFP-NFAWXSAZSA-N 2 2 345.447 1.205 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[N@H+]1C1CC1 ZINC000288852637 443999161 /nfs/dbraw/zinc/99/91/61/443999161.db2.gz FFGUWVAYCGLGFP-NFAWXSAZSA-N 2 2 345.447 1.205 20 0 EDADLP CCC[NH+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000299103693 443955988 /nfs/dbraw/zinc/95/59/88/443955988.db2.gz SNPIKKQOBMUDKN-UHFFFAOYSA-N 2 2 344.503 1.602 20 0 EDADLP CCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000299103693 443955993 /nfs/dbraw/zinc/95/59/93/443955993.db2.gz SNPIKKQOBMUDKN-UHFFFAOYSA-N 2 2 344.503 1.602 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000285360766 443956064 /nfs/dbraw/zinc/95/60/64/443956064.db2.gz VCNBEYOZBMPCEI-WMLDXEAASA-N 2 2 330.436 1.206 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNC(=O)CCn2cc[nH+]c2)CCC[N@H+]1C ZINC000285360766 443956066 /nfs/dbraw/zinc/95/60/66/443956066.db2.gz VCNBEYOZBMPCEI-WMLDXEAASA-N 2 2 330.436 1.206 20 0 EDADLP CC(C)C[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000548609896 320888447 /nfs/dbraw/zinc/88/84/47/320888447.db2.gz CLCGEWNZGRWMJI-JKSUJKDBSA-N 2 2 349.479 1.244 20 0 EDADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293545554 444050682 /nfs/dbraw/zinc/05/06/82/444050682.db2.gz BCMLBEIGFNSIFX-RHSMWYFYSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000293545554 444050689 /nfs/dbraw/zinc/05/06/89/444050689.db2.gz BCMLBEIGFNSIFX-RHSMWYFYSA-N 2 2 328.416 1.399 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000557359016 321003021 /nfs/dbraw/zinc/00/30/21/321003021.db2.gz BUDFERGGTKAJAA-UHFFFAOYSA-N 2 2 329.404 1.073 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c[nH+]1 ZINC000561128053 321034036 /nfs/dbraw/zinc/03/40/36/321034036.db2.gz GUSSZPFPVVCXEN-INIZCTEOSA-N 2 2 340.431 1.399 20 0 EDADLP Cc1ccc(C2(CNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2)c(C)c1 ZINC000562818500 321078784 /nfs/dbraw/zinc/07/87/84/321078784.db2.gz RIWCFUCHWMBJHH-MRXNPFEDSA-N 2 2 330.476 1.619 20 0 EDADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000562995040 321086766 /nfs/dbraw/zinc/08/67/66/321086766.db2.gz GXXSBTILVVQVDM-YLJYHZDGSA-N 2 2 346.519 1.242 20 0 EDADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000562995040 321086768 /nfs/dbraw/zinc/08/67/68/321086768.db2.gz GXXSBTILVVQVDM-YLJYHZDGSA-N 2 2 346.519 1.242 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000562995040 321086770 /nfs/dbraw/zinc/08/67/70/321086770.db2.gz GXXSBTILVVQVDM-YLJYHZDGSA-N 2 2 346.519 1.242 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000562995040 321086771 /nfs/dbraw/zinc/08/67/71/321086771.db2.gz GXXSBTILVVQVDM-YLJYHZDGSA-N 2 2 346.519 1.242 20 0 EDADLP C[NH2+][C@@H](C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000563414798 321109765 /nfs/dbraw/zinc/10/97/65/321109765.db2.gz AUJJYBXCIINZCU-XHDPSFHLSA-N 2 2 332.404 1.251 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)c3nncn3C)c2cc1C ZINC000564698603 321142603 /nfs/dbraw/zinc/14/26/03/321142603.db2.gz ZGMQFZKDFRNPAF-KGLIPLIRSA-N 2 2 328.420 1.493 20 0 EDADLP Cc1cc(N2CCC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)n(C)n1 ZINC000564823337 321150068 /nfs/dbraw/zinc/15/00/68/321150068.db2.gz KZRXSJOBYJHLMS-LZLYRXPVSA-N 2 2 333.480 1.054 20 0 EDADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564852940 321151396 /nfs/dbraw/zinc/15/13/96/321151396.db2.gz VIADDFYMSOMIFF-JEWRLFTDSA-N 2 2 336.476 1.773 20 0 EDADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564852940 321151397 /nfs/dbraw/zinc/15/13/97/321151397.db2.gz VIADDFYMSOMIFF-JEWRLFTDSA-N 2 2 336.476 1.773 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](c4nnc[nH]4)C3)c2cc1C ZINC000564880059 321153478 /nfs/dbraw/zinc/15/34/78/321153478.db2.gz NISHDNSYLSOHOV-GJZGRUSLSA-N 2 2 340.431 1.622 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](c4nnc[nH]4)C3)c2cc1C ZINC000564880059 321153480 /nfs/dbraw/zinc/15/34/80/321153480.db2.gz NISHDNSYLSOHOV-GJZGRUSLSA-N 2 2 340.431 1.622 20 0 EDADLP COc1cccc(NC(=O)CC[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000565357735 321182892 /nfs/dbraw/zinc/18/28/92/321182892.db2.gz UNGGXQMRTOKWKL-DLBZAZTESA-N 2 2 343.431 1.184 20 0 EDADLP COc1cccc(NC(=O)CC[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000565357735 321182893 /nfs/dbraw/zinc/18/28/93/321182893.db2.gz UNGGXQMRTOKWKL-DLBZAZTESA-N 2 2 343.431 1.184 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)CCN2C1=O ZINC000565666343 321196573 /nfs/dbraw/zinc/19/65/73/321196573.db2.gz DCGVZUQIPKAVCN-UONOGXRCSA-N 2 2 328.441 1.554 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)CCN2C1=O ZINC000565666343 321196574 /nfs/dbraw/zinc/19/65/74/321196574.db2.gz DCGVZUQIPKAVCN-UONOGXRCSA-N 2 2 328.441 1.554 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)CCN2C1=O ZINC000565667603 321196863 /nfs/dbraw/zinc/19/68/63/321196863.db2.gz NNROVSFQEDANMR-OLZOCXBDSA-N 2 2 343.349 1.372 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)CCN2C1=O ZINC000565667603 321196865 /nfs/dbraw/zinc/19/68/65/321196865.db2.gz NNROVSFQEDANMR-OLZOCXBDSA-N 2 2 343.349 1.372 20 0 EDADLP C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000566045732 321211190 /nfs/dbraw/zinc/21/11/90/321211190.db2.gz IGLJAFFTTOBOFL-GJZGRUSLSA-N 2 2 338.496 1.269 20 0 EDADLP CO[C@@]1(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCOC1 ZINC000567606316 321248043 /nfs/dbraw/zinc/24/80/43/321248043.db2.gz CAYVCHCVYLQUFX-CRAIPNDOSA-N 2 2 333.432 1.409 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000567696833 321253705 /nfs/dbraw/zinc/25/37/05/321253705.db2.gz IYJXFQUPRGIDDB-HKJYQUGISA-N 2 2 334.460 1.611 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000567696833 321253706 /nfs/dbraw/zinc/25/37/06/321253706.db2.gz IYJXFQUPRGIDDB-HKJYQUGISA-N 2 2 334.460 1.611 20 0 EDADLP Cc1nccnc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000285762679 444099265 /nfs/dbraw/zinc/09/92/65/444099265.db2.gz STBUCWUDTLFNQQ-WZYMTQMTSA-N 2 2 331.464 1.519 20 0 EDADLP Cc1nccnc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000285762679 444099271 /nfs/dbraw/zinc/09/92/71/444099271.db2.gz STBUCWUDTLFNQQ-WZYMTQMTSA-N 2 2 331.464 1.519 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3ccn(CC[NH+](C)C)n3)[nH+]c2c1 ZINC000568189468 321279814 /nfs/dbraw/zinc/27/98/14/321279814.db2.gz JEGCDCPTDIDWKG-UHFFFAOYSA-N 2 2 326.404 1.331 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000570779882 321357844 /nfs/dbraw/zinc/35/78/44/321357844.db2.gz UESYXTVHSZVBSV-ZDUSSCGKSA-N 2 2 328.420 1.189 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000570779882 321357846 /nfs/dbraw/zinc/35/78/46/321357846.db2.gz UESYXTVHSZVBSV-ZDUSSCGKSA-N 2 2 328.420 1.189 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CC(F)(F)C[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000574461401 321485080 /nfs/dbraw/zinc/48/50/80/321485080.db2.gz YBLZUFFBTZQVBT-RYUDHWBXSA-N 2 2 342.390 1.296 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000302649389 444218771 /nfs/dbraw/zinc/21/87/71/444218771.db2.gz JPRACWAXZDAJLK-AWEZNQCLSA-N 2 2 328.464 1.898 20 0 EDADLP Cc1ccccc1-n1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)nn1 ZINC000289669992 444188742 /nfs/dbraw/zinc/18/87/42/444188742.db2.gz IXVOSIKWULXNCQ-INIZCTEOSA-N 2 2 328.464 1.301 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC000576212419 321547016 /nfs/dbraw/zinc/54/70/16/321547016.db2.gz QCISETOHHBOKQG-GOSISDBHSA-N 2 2 339.443 1.799 20 0 EDADLP COCC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289776704 444202234 /nfs/dbraw/zinc/20/22/34/444202234.db2.gz KTEUYDQIWWUOTJ-INIZCTEOSA-N 2 2 336.432 1.319 20 0 EDADLP COCC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289776704 444202235 /nfs/dbraw/zinc/20/22/35/444202235.db2.gz KTEUYDQIWWUOTJ-INIZCTEOSA-N 2 2 336.432 1.319 20 0 EDADLP COCC[NH+](Cc1ccc2c(c1)OCO2)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289776704 444202240 /nfs/dbraw/zinc/20/22/40/444202240.db2.gz KTEUYDQIWWUOTJ-INIZCTEOSA-N 2 2 336.432 1.319 20 0 EDADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000290238476 444258057 /nfs/dbraw/zinc/25/80/57/444258057.db2.gz UMRDSKVDHDENTH-AIHBUXEESA-N 2 2 348.512 1.920 20 0 EDADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000290238476 444258060 /nfs/dbraw/zinc/25/80/60/444258060.db2.gz UMRDSKVDHDENTH-AIHBUXEESA-N 2 2 348.512 1.920 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290047539 444235308 /nfs/dbraw/zinc/23/53/08/444235308.db2.gz BVATVCMPOCLMAE-UHFFFAOYSA-N 2 2 331.420 1.909 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290047539 444235313 /nfs/dbraw/zinc/23/53/13/444235313.db2.gz BVATVCMPOCLMAE-UHFFFAOYSA-N 2 2 331.420 1.909 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000304018865 444240084 /nfs/dbraw/zinc/24/00/84/444240084.db2.gz WYTHSFZOQVGBOY-QYZOEREBSA-N 2 2 339.524 1.266 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000304018865 444240085 /nfs/dbraw/zinc/24/00/85/444240085.db2.gz WYTHSFZOQVGBOY-QYZOEREBSA-N 2 2 339.524 1.266 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297591835 444305474 /nfs/dbraw/zinc/30/54/74/444305474.db2.gz RROABEPVYFWHFQ-CQSZACIVSA-N 2 2 331.420 1.196 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)[C@@H](C)C1 ZINC000305768816 444279488 /nfs/dbraw/zinc/27/94/88/444279488.db2.gz LDJBGYJPNLVBAB-IHRRRGAJSA-N 2 2 346.518 1.203 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)[C@@H](C)C1 ZINC000305768816 444279490 /nfs/dbraw/zinc/27/94/90/444279490.db2.gz LDJBGYJPNLVBAB-IHRRRGAJSA-N 2 2 346.518 1.203 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310023491 444290858 /nfs/dbraw/zinc/29/08/58/444290858.db2.gz QQOVNLNCGYMCLK-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310023491 444290859 /nfs/dbraw/zinc/29/08/59/444290859.db2.gz QQOVNLNCGYMCLK-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000310505693 444292401 /nfs/dbraw/zinc/29/24/01/444292401.db2.gz JBPRIRIFNYCHPE-ICSRJNTNSA-N 3 2 331.504 1.943 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000310505693 444292402 /nfs/dbraw/zinc/29/24/02/444292402.db2.gz JBPRIRIFNYCHPE-ICSRJNTNSA-N 3 2 331.504 1.943 20 0 EDADLP C[NH+](C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000310505693 444292403 /nfs/dbraw/zinc/29/24/03/444292403.db2.gz JBPRIRIFNYCHPE-ICSRJNTNSA-N 3 2 331.504 1.943 20 0 EDADLP C[NH+](C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000310505693 444292404 /nfs/dbraw/zinc/29/24/04/444292404.db2.gz JBPRIRIFNYCHPE-ICSRJNTNSA-N 3 2 331.504 1.943 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290570337 444296300 /nfs/dbraw/zinc/29/63/00/444296300.db2.gz TVICZIKOMOCZEF-UHFFFAOYSA-N 3 2 343.479 1.255 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290570337 444296303 /nfs/dbraw/zinc/29/63/03/444296303.db2.gz TVICZIKOMOCZEF-UHFFFAOYSA-N 3 2 343.479 1.255 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578272784 321749150 /nfs/dbraw/zinc/74/91/50/321749150.db2.gz SARGKYGTGFTNFS-DZGCQCFKSA-N 2 2 341.415 1.358 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)c[nH+]1 ZINC000578333770 321759034 /nfs/dbraw/zinc/75/90/34/321759034.db2.gz XOMHQFRRTRKWEM-QGZVFWFLSA-N 2 2 339.443 1.834 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000340523609 444424177 /nfs/dbraw/zinc/42/41/77/444424177.db2.gz GRSSHCCLRBLDCN-RDJZCZTQSA-N 2 2 335.427 1.980 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340523609 444424181 /nfs/dbraw/zinc/42/41/81/444424181.db2.gz GRSSHCCLRBLDCN-RDJZCZTQSA-N 2 2 335.427 1.980 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000327586561 444382974 /nfs/dbraw/zinc/38/29/74/444382974.db2.gz OZANTNDSMKDJMI-PMACEKPBSA-N 2 2 343.446 1.879 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCCn2cc[nH+]c2)n1 ZINC000328627074 444400231 /nfs/dbraw/zinc/40/02/31/444400231.db2.gz FUDJBOQYKOJYKO-HOCLYGCPSA-N 2 2 330.436 2.401 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)s1 ZINC000328681013 444427906 /nfs/dbraw/zinc/42/79/06/444427906.db2.gz NZKHUACNKOCNEH-GFCCVEGCSA-N 2 2 326.466 1.067 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1F)C[NH+]1CCOCC1 ZINC000579943848 321988843 /nfs/dbraw/zinc/98/88/43/321988843.db2.gz UURYMIMZYRHVJQ-HUUCEWRRSA-N 2 2 326.412 1.123 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000332035032 444496806 /nfs/dbraw/zinc/49/68/06/444496806.db2.gz JGYFIGWCPINIIP-AWEZNQCLSA-N 2 2 330.432 1.260 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000332035032 444496810 /nfs/dbraw/zinc/49/68/10/444496810.db2.gz JGYFIGWCPINIIP-AWEZNQCLSA-N 2 2 330.432 1.260 20 0 EDADLP Cc1cc(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(C)c[nH+]1 ZINC000580050232 322001622 /nfs/dbraw/zinc/00/16/22/322001622.db2.gz ULWXYNWDNJWSNW-UHFFFAOYSA-N 2 2 331.464 1.458 20 0 EDADLP Cc1cc(NC(=O)NC2CCC([NH+]3CCNCC3)CC2)c(C)c[nH+]1 ZINC000580050232 322001624 /nfs/dbraw/zinc/00/16/24/322001624.db2.gz ULWXYNWDNJWSNW-UHFFFAOYSA-N 2 2 331.464 1.458 20 0 EDADLP CCN1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000580983812 322119712 /nfs/dbraw/zinc/11/97/12/322119712.db2.gz WKAIKLOMHCBNNT-GDBMZVCRSA-N 2 2 342.447 1.382 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000581300282 322160712 /nfs/dbraw/zinc/16/07/12/322160712.db2.gz CKYDUZWXQLKSID-XSXPHNMFSA-N 2 2 338.452 1.178 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000581300282 322160714 /nfs/dbraw/zinc/16/07/14/322160714.db2.gz CKYDUZWXQLKSID-XSXPHNMFSA-N 2 2 338.452 1.178 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000581407895 322172863 /nfs/dbraw/zinc/17/28/63/322172863.db2.gz OZAOEPIOYRYUHV-SJLPKXTDSA-N 2 2 334.460 1.611 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000581407895 322172865 /nfs/dbraw/zinc/17/28/65/322172865.db2.gz OZAOEPIOYRYUHV-SJLPKXTDSA-N 2 2 334.460 1.611 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC000581493319 322184754 /nfs/dbraw/zinc/18/47/54/322184754.db2.gz NSHJNNVWMDMQAI-MRXNPFEDSA-N 2 2 348.491 1.278 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000338093515 444514124 /nfs/dbraw/zinc/51/41/24/444514124.db2.gz QMXNZROAGDMPLR-MRXNPFEDSA-N 2 2 337.468 1.238 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000338093515 444514126 /nfs/dbraw/zinc/51/41/26/444514126.db2.gz QMXNZROAGDMPLR-MRXNPFEDSA-N 2 2 337.468 1.238 20 0 EDADLP Cc1cnn(CC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000342135469 444526485 /nfs/dbraw/zinc/52/64/85/444526485.db2.gz QQFFVENBOBBBOA-LJQANCHMSA-N 2 2 328.460 1.760 20 0 EDADLP Cc1cnn(CC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000342135469 444526488 /nfs/dbraw/zinc/52/64/88/444526488.db2.gz QQFFVENBOBBBOA-LJQANCHMSA-N 2 2 328.460 1.760 20 0 EDADLP Cc1cnn(CC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000342135469 444526492 /nfs/dbraw/zinc/52/64/92/444526492.db2.gz QQFFVENBOBBBOA-LJQANCHMSA-N 2 2 328.460 1.760 20 0 EDADLP Cc1cnn(CC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000342135469 444526496 /nfs/dbraw/zinc/52/64/96/444526496.db2.gz QQFFVENBOBBBOA-LJQANCHMSA-N 2 2 328.460 1.760 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000329405846 444566288 /nfs/dbraw/zinc/56/62/88/444566288.db2.gz AUBHGMXWDAWBPQ-BFHYXJOUSA-N 2 2 343.518 1.441 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000329405846 444566292 /nfs/dbraw/zinc/56/62/92/444566292.db2.gz AUBHGMXWDAWBPQ-BFHYXJOUSA-N 2 2 343.518 1.441 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1Cc1ccccc1CN1CC[N@@H+](C)C[C@@H]1C ZINC000343717452 444542340 /nfs/dbraw/zinc/54/23/40/444542340.db2.gz QZURDYDHYUQVMY-HDICACEKSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1Cc1ccccc1CN1CC[N@H+](C)C[C@@H]1C ZINC000343717452 444542346 /nfs/dbraw/zinc/54/23/46/444542346.db2.gz QZURDYDHYUQVMY-HDICACEKSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1CN1CC[NH+](C)C[C@@H]1C ZINC000343717452 444542350 /nfs/dbraw/zinc/54/23/50/444542350.db2.gz QZURDYDHYUQVMY-HDICACEKSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1CN1CC[NH+](C)C[C@@H]1C ZINC000343717452 444542355 /nfs/dbraw/zinc/54/23/55/444542355.db2.gz QZURDYDHYUQVMY-HDICACEKSA-N 2 2 330.520 1.958 20 0 EDADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332930158 444600561 /nfs/dbraw/zinc/60/05/61/444600561.db2.gz PXEVPQBOVBESTB-HOTGVXAUSA-N 2 2 331.464 1.988 20 0 EDADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332930158 444600564 /nfs/dbraw/zinc/60/05/64/444600564.db2.gz PXEVPQBOVBESTB-HOTGVXAUSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000343807057 444603935 /nfs/dbraw/zinc/60/39/35/444603935.db2.gz LXVDREOJOAXEJJ-HNNXBMFYSA-N 2 2 336.505 1.028 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000343807057 444603939 /nfs/dbraw/zinc/60/39/39/444603939.db2.gz LXVDREOJOAXEJJ-HNNXBMFYSA-N 2 2 336.505 1.028 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000342292988 444615969 /nfs/dbraw/zinc/61/59/69/444615969.db2.gz SSHMMJGRBVNVKK-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000342292988 444615972 /nfs/dbraw/zinc/61/59/72/444615972.db2.gz SSHMMJGRBVNVKK-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000332981009 444619537 /nfs/dbraw/zinc/61/95/37/444619537.db2.gz UYQGIOBKOUBJIM-HOCLYGCPSA-N 2 2 331.464 1.845 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000332981009 444619540 /nfs/dbraw/zinc/61/95/40/444619540.db2.gz UYQGIOBKOUBJIM-HOCLYGCPSA-N 2 2 331.464 1.845 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332983110 444620480 /nfs/dbraw/zinc/62/04/80/444620480.db2.gz RGMIZHWEKSIPMF-QXSJWSMHSA-N 2 2 333.480 1.864 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332983110 444620483 /nfs/dbraw/zinc/62/04/83/444620483.db2.gz RGMIZHWEKSIPMF-QXSJWSMHSA-N 2 2 333.480 1.864 20 0 EDADLP Cc1c[nH+]c(CN[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)n1C ZINC000341061669 444659388 /nfs/dbraw/zinc/65/93/88/444659388.db2.gz XHPUPNJUADTSME-ZWKOTPCHSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1c[nH+]c(CN[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)n1C ZINC000341061669 444659394 /nfs/dbraw/zinc/65/93/94/444659394.db2.gz XHPUPNJUADTSME-ZWKOTPCHSA-N 2 2 328.460 1.701 20 0 EDADLP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@@H]3CCn4cc[nH+]c4C3)n1)OC2 ZINC000329672542 444674171 /nfs/dbraw/zinc/67/41/71/444674171.db2.gz NNWFHAPLNJNLTM-IIYDPXPESA-N 2 2 329.404 1.922 20 0 EDADLP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@@H]3CCn4cc[nH+]c4C3)n1)OC2 ZINC000329672542 444674177 /nfs/dbraw/zinc/67/41/77/444674177.db2.gz NNWFHAPLNJNLTM-IIYDPXPESA-N 2 2 329.404 1.922 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000343887453 444647159 /nfs/dbraw/zinc/64/71/59/444647159.db2.gz CLOATFWBFVIPHK-AEFFLSMTSA-N 2 2 330.476 1.265 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000343887453 444647161 /nfs/dbraw/zinc/64/71/61/444647161.db2.gz CLOATFWBFVIPHK-AEFFLSMTSA-N 2 2 330.476 1.265 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000342548454 444740646 /nfs/dbraw/zinc/74/06/46/444740646.db2.gz ULMCHYARNUMCMC-MRXNPFEDSA-N 2 2 348.443 1.834 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000334030961 444753881 /nfs/dbraw/zinc/75/38/81/444753881.db2.gz KXWYHZSDJWDVGV-OWCLPIDISA-N 2 2 333.480 1.970 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000334030961 444753885 /nfs/dbraw/zinc/75/38/85/444753885.db2.gz KXWYHZSDJWDVGV-OWCLPIDISA-N 2 2 333.480 1.970 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000341371410 444799311 /nfs/dbraw/zinc/79/93/11/444799311.db2.gz FURLXPJDWCDNHI-RYUDHWBXSA-N 2 2 345.369 1.871 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000341371410 444799315 /nfs/dbraw/zinc/79/93/15/444799315.db2.gz FURLXPJDWCDNHI-RYUDHWBXSA-N 2 2 345.369 1.871 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nc([C@H](C)OC)no1 ZINC000344162076 444815086 /nfs/dbraw/zinc/81/50/86/444815086.db2.gz YQUZKDFZUBZFQM-HNNXBMFYSA-N 2 2 339.484 1.627 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nc([C@H](C)OC)no1 ZINC000344162076 444815090 /nfs/dbraw/zinc/81/50/90/444815090.db2.gz YQUZKDFZUBZFQM-HNNXBMFYSA-N 2 2 339.484 1.627 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1occc1C(=O)OC ZINC000344164785 444817028 /nfs/dbraw/zinc/81/70/28/444817028.db2.gz MKMXYUMRLZRWNP-UHFFFAOYSA-N 2 2 337.464 1.916 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1occc1C(=O)OC ZINC000344164785 444817033 /nfs/dbraw/zinc/81/70/33/444817033.db2.gz MKMXYUMRLZRWNP-UHFFFAOYSA-N 2 2 337.464 1.916 20 0 EDADLP CCC[NH+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330030726 444818054 /nfs/dbraw/zinc/81/80/54/444818054.db2.gz SBUCTOFPDBICHS-UHFFFAOYSA-N 2 2 330.436 1.390 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000344111353 444786063 /nfs/dbraw/zinc/78/60/63/444786063.db2.gz XLTKAYDHACCFPC-VQHPVUNQSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000344111353 444786067 /nfs/dbraw/zinc/78/60/67/444786067.db2.gz XLTKAYDHACCFPC-VQHPVUNQSA-N 2 2 328.460 1.897 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000334127222 444789457 /nfs/dbraw/zinc/78/94/57/444789457.db2.gz QINGXIQBHGFMIS-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000338729223 444824380 /nfs/dbraw/zinc/82/43/80/444824380.db2.gz HGNYBUUOAOJVRH-GOEBONIOSA-N 2 2 346.435 1.535 20 0 EDADLP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000344191222 444831044 /nfs/dbraw/zinc/83/10/44/444831044.db2.gz UZPLMYNGQRPTHW-GOSISDBHSA-N 2 2 346.454 1.650 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000344191222 444831047 /nfs/dbraw/zinc/83/10/47/444831047.db2.gz UZPLMYNGQRPTHW-GOSISDBHSA-N 2 2 346.454 1.650 20 0 EDADLP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000344191222 444831049 /nfs/dbraw/zinc/83/10/49/444831049.db2.gz UZPLMYNGQRPTHW-GOSISDBHSA-N 2 2 346.454 1.650 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000344191222 444831051 /nfs/dbraw/zinc/83/10/51/444831051.db2.gz UZPLMYNGQRPTHW-GOSISDBHSA-N 2 2 346.454 1.650 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCN(C4CC4)C(=O)C3)c2cc1C ZINC000336885177 444832787 /nfs/dbraw/zinc/83/27/87/444832787.db2.gz CPVMAHFARHTYSW-INIZCTEOSA-N 2 2 342.443 1.321 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCN(C4CC4)C(=O)C3)c2cc1C ZINC000336885177 444832788 /nfs/dbraw/zinc/83/27/88/444832788.db2.gz CPVMAHFARHTYSW-INIZCTEOSA-N 2 2 342.443 1.321 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000342758817 444852219 /nfs/dbraw/zinc/85/22/19/444852219.db2.gz ODFJWUXXXXPNSV-SJLPKXTDSA-N 2 2 325.497 1.629 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)[NH+]2CCOCC2)c1 ZINC000342764150 444853728 /nfs/dbraw/zinc/85/37/28/444853728.db2.gz GEBZTWRORVBLGA-NEWSRXKRSA-N 2 2 345.487 1.873 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342775174 444861126 /nfs/dbraw/zinc/86/11/26/444861126.db2.gz FJLSFUQRVMXSMS-TVFCKZIOSA-N 2 2 339.524 1.968 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342775174 444861130 /nfs/dbraw/zinc/86/11/30/444861130.db2.gz FJLSFUQRVMXSMS-TVFCKZIOSA-N 2 2 339.524 1.968 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H]2CCO[C@H]2c2ccnn2C(C)C)CC1 ZINC000344248765 444861905 /nfs/dbraw/zinc/86/19/05/444861905.db2.gz GEUQOFHPXHFFSE-FUHWJXTLSA-N 2 2 336.480 1.994 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000330157623 444866448 /nfs/dbraw/zinc/86/64/48/444866448.db2.gz ZIZOMNPBQYHECJ-CVEARBPZSA-N 2 2 342.447 2.241 20 0 EDADLP Cn1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000341591105 444911470 /nfs/dbraw/zinc/91/14/70/444911470.db2.gz PGYXAKHMNVXIIV-UHFFFAOYSA-N 3 2 334.512 1.443 20 0 EDADLP Cn1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000341591105 444911476 /nfs/dbraw/zinc/91/14/76/444911476.db2.gz PGYXAKHMNVXIIV-UHFFFAOYSA-N 3 2 334.512 1.443 20 0 EDADLP C[C@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[NH+]1CCOCC1 ZINC000341706385 444960360 /nfs/dbraw/zinc/96/03/60/444960360.db2.gz LCLFFJQXGFSJGA-GDBMZVCRSA-N 2 2 341.521 1.041 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)C1CC1 ZINC000341716465 444966475 /nfs/dbraw/zinc/96/64/75/444966475.db2.gz HDFUBZKCSSUOOU-INIZCTEOSA-N 2 2 343.431 1.637 20 0 EDADLP COc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1OC(C)C ZINC000341654702 444934946 /nfs/dbraw/zinc/93/49/46/444934946.db2.gz GASDEHRXTQSMRF-OAHLLOKOSA-N 2 2 349.475 1.907 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000341769880 444993122 /nfs/dbraw/zinc/99/31/22/444993122.db2.gz IOOLMEGWUUXOLW-KRWDZBQOSA-N 2 2 344.503 1.600 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000341769880 444993129 /nfs/dbraw/zinc/99/31/29/444993129.db2.gz IOOLMEGWUUXOLW-KRWDZBQOSA-N 2 2 344.503 1.600 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000341769880 444993134 /nfs/dbraw/zinc/99/31/34/444993134.db2.gz IOOLMEGWUUXOLW-KRWDZBQOSA-N 2 2 344.503 1.600 20 0 EDADLP Fc1ccc(N2CC[NH+](CCNc3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000339135346 445051183 /nfs/dbraw/zinc/05/11/83/445051183.db2.gz SZDBLPODKLNSCK-UHFFFAOYSA-N 2 2 340.406 2.331 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000341884754 445052902 /nfs/dbraw/zinc/05/29/02/445052902.db2.gz CYDFFHGQMFQDEJ-SLFFLAALSA-N 2 2 345.487 1.292 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000341884754 445052906 /nfs/dbraw/zinc/05/29/06/445052906.db2.gz CYDFFHGQMFQDEJ-SLFFLAALSA-N 2 2 345.487 1.292 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000341884754 445052909 /nfs/dbraw/zinc/05/29/09/445052909.db2.gz CYDFFHGQMFQDEJ-SLFFLAALSA-N 2 2 345.487 1.292 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000341884754 445052912 /nfs/dbraw/zinc/05/29/12/445052912.db2.gz CYDFFHGQMFQDEJ-SLFFLAALSA-N 2 2 345.487 1.292 20 0 EDADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000337377425 445054186 /nfs/dbraw/zinc/05/41/86/445054186.db2.gz BHXCJLCRWUIWJM-YESZJQIVSA-N 2 2 325.497 1.724 20 0 EDADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000337377425 445054191 /nfs/dbraw/zinc/05/41/91/445054191.db2.gz BHXCJLCRWUIWJM-YESZJQIVSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000344558489 445058738 /nfs/dbraw/zinc/05/87/38/445058738.db2.gz LAXJGNMSPSGUIU-OALUTQOASA-N 2 2 326.444 1.758 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000344558489 445058740 /nfs/dbraw/zinc/05/87/40/445058740.db2.gz LAXJGNMSPSGUIU-OALUTQOASA-N 2 2 326.444 1.758 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccsc3)CC2)CC1 ZINC000337443421 445082689 /nfs/dbraw/zinc/08/26/89/445082689.db2.gz OIOXLUCPHNZIIN-UHFFFAOYSA-N 2 2 337.489 1.802 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432338 445139095 /nfs/dbraw/zinc/13/90/95/445139095.db2.gz JILDZKQNOIMCEK-HIFRSBDPSA-N 2 2 333.398 1.957 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432338 445139097 /nfs/dbraw/zinc/13/90/97/445139097.db2.gz JILDZKQNOIMCEK-HIFRSBDPSA-N 2 2 333.398 1.957 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432338 445139099 /nfs/dbraw/zinc/13/90/99/445139099.db2.gz JILDZKQNOIMCEK-HIFRSBDPSA-N 2 2 333.398 1.957 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432338 445139101 /nfs/dbraw/zinc/13/91/01/445139101.db2.gz JILDZKQNOIMCEK-HIFRSBDPSA-N 2 2 333.398 1.957 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)C(F)(F)F ZINC000344649080 445103429 /nfs/dbraw/zinc/10/34/29/445103429.db2.gz DZYCRPZSKAUWNG-NEPJUHHUSA-N 2 2 336.402 1.747 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)C(F)(F)F ZINC000344649080 445103431 /nfs/dbraw/zinc/10/34/31/445103431.db2.gz DZYCRPZSKAUWNG-NEPJUHHUSA-N 2 2 336.402 1.747 20 0 EDADLP CC[C@H](C(=O)NCC1([NH+](C)C)CCCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339267224 445125512 /nfs/dbraw/zinc/12/55/12/445125512.db2.gz ZGLISVKRGYBGHB-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H](C(=O)NCC1([NH+](C)C)CCCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339267224 445125515 /nfs/dbraw/zinc/12/55/15/445125515.db2.gz ZGLISVKRGYBGHB-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C[C@H](C)O ZINC000345329610 445181388 /nfs/dbraw/zinc/18/13/88/445181388.db2.gz SFLRPLNIDBIZBD-HOCLYGCPSA-N 2 2 349.479 1.206 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@H+]1C[C@H](C)O ZINC000345329610 445181390 /nfs/dbraw/zinc/18/13/90/445181390.db2.gz SFLRPLNIDBIZBD-HOCLYGCPSA-N 2 2 349.479 1.206 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342120541 445184144 /nfs/dbraw/zinc/18/41/44/445184144.db2.gz FVWFMMJVDHJTJB-CQSZACIVSA-N 2 2 333.432 1.146 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)[NH+](CC)CC ZINC000345802922 445199650 /nfs/dbraw/zinc/19/96/50/445199650.db2.gz RNVOLOTZCKRSAG-SJORKVTESA-N 2 2 327.513 1.970 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626324 445246969 /nfs/dbraw/zinc/24/69/69/445246969.db2.gz FOTNAAGMPZIFBE-IAGOWNOFSA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626324 445246981 /nfs/dbraw/zinc/24/69/81/445246981.db2.gz FOTNAAGMPZIFBE-IAGOWNOFSA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C1)CCCC2 ZINC000351626324 445246983 /nfs/dbraw/zinc/24/69/83/445246983.db2.gz FOTNAAGMPZIFBE-IAGOWNOFSA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C1)CCCC2 ZINC000351626324 445246985 /nfs/dbraw/zinc/24/69/85/445246985.db2.gz FOTNAAGMPZIFBE-IAGOWNOFSA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626324 445246987 /nfs/dbraw/zinc/24/69/87/445246987.db2.gz FOTNAAGMPZIFBE-IAGOWNOFSA-N 2 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C[C@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626324 445246990 /nfs/dbraw/zinc/24/69/90/445246990.db2.gz FOTNAAGMPZIFBE-IAGOWNOFSA-N 2 2 332.492 1.772 20 0 EDADLP CNC(=O)CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348327109 445257704 /nfs/dbraw/zinc/25/77/04/445257704.db2.gz ZYOJMWVYPSPESY-ZDUSSCGKSA-N 2 2 343.431 1.862 20 0 EDADLP CNC(=O)CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348327109 445257706 /nfs/dbraw/zinc/25/77/06/445257706.db2.gz ZYOJMWVYPSPESY-ZDUSSCGKSA-N 2 2 343.431 1.862 20 0 EDADLP CO[C@@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000348234565 445324417 /nfs/dbraw/zinc/32/44/17/445324417.db2.gz LEWNNXANQFBFPE-SFHVURJKSA-N 2 2 335.448 1.425 20 0 EDADLP CO[C@@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000348234565 445324420 /nfs/dbraw/zinc/32/44/20/445324420.db2.gz LEWNNXANQFBFPE-SFHVURJKSA-N 2 2 335.448 1.425 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)Cc3ccnn3C)c2cc1C ZINC000348376340 445270531 /nfs/dbraw/zinc/27/05/31/445270531.db2.gz QWDCPBJLKLUAGO-MRXNPFEDSA-N 2 2 327.432 1.880 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)Cc3ccnn3C)c2cc1C ZINC000348376340 445270537 /nfs/dbraw/zinc/27/05/37/445270537.db2.gz QWDCPBJLKLUAGO-MRXNPFEDSA-N 2 2 327.432 1.880 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCN(c2ccnn2C)C1=O ZINC000348401598 445278131 /nfs/dbraw/zinc/27/81/31/445278131.db2.gz DDAZDNNVBMRCEI-MRXNPFEDSA-N 2 2 327.432 1.841 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC000351702380 445280206 /nfs/dbraw/zinc/28/02/06/445280206.db2.gz IHDSAOZTCIDUMP-GUDVDZBRSA-N 2 2 343.471 1.440 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC000351702380 445280207 /nfs/dbraw/zinc/28/02/07/445280207.db2.gz IHDSAOZTCIDUMP-GUDVDZBRSA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000351702380 445280208 /nfs/dbraw/zinc/28/02/08/445280208.db2.gz IHDSAOZTCIDUMP-GUDVDZBRSA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000351702380 445280209 /nfs/dbraw/zinc/28/02/09/445280209.db2.gz IHDSAOZTCIDUMP-GUDVDZBRSA-N 2 2 343.471 1.440 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000348448750 445295132 /nfs/dbraw/zinc/29/51/32/445295132.db2.gz XCUHAHVOWSRPIF-CVEARBPZSA-N 2 2 332.448 1.673 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000348448750 445295137 /nfs/dbraw/zinc/29/51/37/445295137.db2.gz XCUHAHVOWSRPIF-CVEARBPZSA-N 2 2 332.448 1.673 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000354636809 445323383 /nfs/dbraw/zinc/32/33/83/445323383.db2.gz SPBNFYOVCDSNSF-JKSUJKDBSA-N 2 2 340.512 1.110 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH+]1CCOCC1 ZINC000354577508 445300546 /nfs/dbraw/zinc/30/05/46/445300546.db2.gz NCTWFYHBTXPLEI-BZUAXINKSA-N 2 2 332.448 1.330 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000354687032 445341047 /nfs/dbraw/zinc/34/10/47/445341047.db2.gz IUXTXEMTPIEBPO-AWEZNQCLSA-N 2 2 335.439 1.437 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351855853 445344236 /nfs/dbraw/zinc/34/42/36/445344236.db2.gz UCOYSBDAIXBUPM-NWDGAFQWSA-N 2 2 325.840 1.634 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351855853 445344240 /nfs/dbraw/zinc/34/42/40/445344240.db2.gz UCOYSBDAIXBUPM-NWDGAFQWSA-N 2 2 325.840 1.634 20 0 EDADLP COC(=O)c1cn([C@@H]2CC[N@@H+](CCCc3ccc(C)[nH+]c3)C2)nn1 ZINC000354643193 445324882 /nfs/dbraw/zinc/32/48/82/445324882.db2.gz ASDZIXFOYMWBDD-OAHLLOKOSA-N 2 2 329.404 1.648 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357077084 445411062 /nfs/dbraw/zinc/41/10/62/445411062.db2.gz JKMAVKSIKXPRET-CFVMTHIKSA-N 2 2 330.432 1.513 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357077084 445411066 /nfs/dbraw/zinc/41/10/66/445411066.db2.gz JKMAVKSIKXPRET-CFVMTHIKSA-N 2 2 330.432 1.513 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000351978937 445413553 /nfs/dbraw/zinc/41/35/53/445413553.db2.gz DKOLDGCOIWOMOV-OAHLLOKOSA-N 2 2 333.432 1.464 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000351978937 445413556 /nfs/dbraw/zinc/41/35/56/445413556.db2.gz DKOLDGCOIWOMOV-OAHLLOKOSA-N 2 2 333.432 1.464 20 0 EDADLP COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000362513095 445419132 /nfs/dbraw/zinc/41/91/32/445419132.db2.gz UAFCTPYRYZKYLU-CVEARBPZSA-N 2 2 337.445 1.844 20 0 EDADLP Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000354841977 445419849 /nfs/dbraw/zinc/41/98/49/445419849.db2.gz AFKLWUYZEFSLCJ-UONOGXRCSA-N 2 2 333.411 1.531 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000348899587 445434837 /nfs/dbraw/zinc/43/48/37/445434837.db2.gz JGVBGEGDRZKTRD-GOSISDBHSA-N 2 2 333.476 1.736 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000348899587 445434840 /nfs/dbraw/zinc/43/48/40/445434840.db2.gz JGVBGEGDRZKTRD-GOSISDBHSA-N 2 2 333.476 1.736 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000348899587 445434843 /nfs/dbraw/zinc/43/48/43/445434843.db2.gz JGVBGEGDRZKTRD-GOSISDBHSA-N 2 2 333.476 1.736 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000348899587 445434847 /nfs/dbraw/zinc/43/48/47/445434847.db2.gz JGVBGEGDRZKTRD-GOSISDBHSA-N 2 2 333.476 1.736 20 0 EDADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000355075051 445442288 /nfs/dbraw/zinc/44/22/88/445442288.db2.gz TXAWLLFBJPPVCC-RDJZCZTQSA-N 2 2 340.512 1.467 20 0 EDADLP CO[C@@H](CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000355075051 445442293 /nfs/dbraw/zinc/44/22/93/445442293.db2.gz TXAWLLFBJPPVCC-RDJZCZTQSA-N 2 2 340.512 1.467 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1nc(NCC[NH+]2CCOCC2)cc[nH+]1 ZINC000362566659 445443604 /nfs/dbraw/zinc/44/36/04/445443604.db2.gz YTJDXOINTBRMNM-NVXWUHKLSA-N 2 2 349.479 1.836 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000352053440 445461240 /nfs/dbraw/zinc/46/12/40/445461240.db2.gz TUCXKZHMPDBLBU-QGZVFWFLSA-N 2 2 335.496 1.621 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000352053440 445461242 /nfs/dbraw/zinc/46/12/42/445461242.db2.gz TUCXKZHMPDBLBU-QGZVFWFLSA-N 2 2 335.496 1.621 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000348983203 445464983 /nfs/dbraw/zinc/46/49/83/445464983.db2.gz YLMGMCCHWCGXEE-YESZJQIVSA-N 2 2 341.496 1.103 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000348983203 445464984 /nfs/dbraw/zinc/46/49/84/445464984.db2.gz YLMGMCCHWCGXEE-YESZJQIVSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC1(C)CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000357177869 445468364 /nfs/dbraw/zinc/46/83/64/445468364.db2.gz MKBOXHQKIGDWQV-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)no1 ZINC000355859275 445509219 /nfs/dbraw/zinc/50/92/19/445509219.db2.gz OTYKJPLVCHZFSB-UHFFFAOYSA-N 2 2 344.419 1.135 20 0 EDADLP CC(C)OCC[C@H](O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000349212273 445536589 /nfs/dbraw/zinc/53/65/89/445536589.db2.gz IEJZLISKNDFGPQ-SFHVURJKSA-N 2 2 338.496 1.455 20 0 EDADLP CC(C)OCC[C@H](O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000349212273 445536592 /nfs/dbraw/zinc/53/65/92/445536592.db2.gz IEJZLISKNDFGPQ-SFHVURJKSA-N 2 2 338.496 1.455 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[N@H+](C)Cc1ccccc1 ZINC000355935787 445536605 /nfs/dbraw/zinc/53/66/05/445536605.db2.gz JGTPBXOWDUHXHG-WMZOPIPTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355935787 445536607 /nfs/dbraw/zinc/53/66/07/445536607.db2.gz JGTPBXOWDUHXHG-WMZOPIPTSA-N 2 2 333.476 1.422 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355937870 445536651 /nfs/dbraw/zinc/53/66/51/445536651.db2.gz LSYNFRARKKDXIY-GJZGRUSLSA-N 2 2 340.431 1.283 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355937870 445536652 /nfs/dbraw/zinc/53/66/52/445536652.db2.gz LSYNFRARKKDXIY-GJZGRUSLSA-N 2 2 340.431 1.283 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CCO)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000355925212 445532690 /nfs/dbraw/zinc/53/26/90/445532690.db2.gz ADBIQSALKOEZKR-AEFFLSMTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CCO)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000355925212 445532695 /nfs/dbraw/zinc/53/26/95/445532695.db2.gz ADBIQSALKOEZKR-AEFFLSMTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000355925212 445532698 /nfs/dbraw/zinc/53/26/98/445532698.db2.gz ADBIQSALKOEZKR-AEFFLSMTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000355925212 445532702 /nfs/dbraw/zinc/53/27/02/445532702.db2.gz ADBIQSALKOEZKR-AEFFLSMTSA-N 2 2 333.476 1.422 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000362683970 445499140 /nfs/dbraw/zinc/49/91/40/445499140.db2.gz NEKADOWRDSEPGJ-GOSISDBHSA-N 3 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000362683970 445499144 /nfs/dbraw/zinc/49/91/44/445499144.db2.gz NEKADOWRDSEPGJ-GOSISDBHSA-N 3 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000362683970 445499147 /nfs/dbraw/zinc/49/91/47/445499147.db2.gz NEKADOWRDSEPGJ-GOSISDBHSA-N 2 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000362683970 445499152 /nfs/dbraw/zinc/49/91/52/445499152.db2.gz NEKADOWRDSEPGJ-GOSISDBHSA-N 2 2 339.443 1.269 20 0 EDADLP CC[NH+]1CCN(CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000359953901 445503023 /nfs/dbraw/zinc/50/30/23/445503023.db2.gz GTJYOAQROMLMPU-UHFFFAOYSA-N 2 2 341.459 1.185 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362695563 445504373 /nfs/dbraw/zinc/50/43/73/445504373.db2.gz VFZFRWJPWRJHCG-CQSZACIVSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362695563 445504376 /nfs/dbraw/zinc/50/43/76/445504376.db2.gz VFZFRWJPWRJHCG-CQSZACIVSA-N 2 2 325.815 1.875 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353021368 445571770 /nfs/dbraw/zinc/57/17/70/445571770.db2.gz JPFSZVARYKCFQX-SFHVURJKSA-N 3 2 341.540 1.920 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353021368 445571773 /nfs/dbraw/zinc/57/17/73/445571773.db2.gz JPFSZVARYKCFQX-SFHVURJKSA-N 3 2 341.540 1.920 20 0 EDADLP O=C(CC[NH+]1CCC([NH+]2CCOCC2)CC1)Nc1ccccc1F ZINC000625553759 450425489 /nfs/dbraw/zinc/42/54/89/450425489.db2.gz ROYNOJCIXPDLFM-UHFFFAOYSA-N 2 2 335.423 1.951 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc4ccc(OC)nc4[nH]3)C2)CC1 ZINC000353476460 445619873 /nfs/dbraw/zinc/61/98/73/445619873.db2.gz LWVUUIANQVWVQG-AWEZNQCLSA-N 2 2 344.463 1.178 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc4ccc(OC)nc4[nH]3)C2)CC1 ZINC000353476460 445619876 /nfs/dbraw/zinc/61/98/76/445619876.db2.gz LWVUUIANQVWVQG-AWEZNQCLSA-N 2 2 344.463 1.178 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)CC2(O)CCC2)CC1 ZINC000353476701 445619892 /nfs/dbraw/zinc/61/98/92/445619892.db2.gz AKTSTUGGZMLGTH-UHFFFAOYSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)CC2(O)CCC2)CC1 ZINC000353476701 445619895 /nfs/dbraw/zinc/61/98/95/445619895.db2.gz AKTSTUGGZMLGTH-UHFFFAOYSA-N 2 2 345.487 1.486 20 0 EDADLP C[C@@H]1CN(CC2(C[N@H+]3C[C@H](C)N(C)C[C@H]3C)COC2)[C@@H](C)C[NH+]1C ZINC000360209494 445629063 /nfs/dbraw/zinc/62/90/63/445629063.db2.gz QIFCZNMXJZIKCR-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1CN(CC2(C[N@@H+]3C[C@H](C)N(C)C[C@H]3C)COC2)[C@@H](C)C[NH+]1C ZINC000360209494 445629069 /nfs/dbraw/zinc/62/90/69/445629069.db2.gz QIFCZNMXJZIKCR-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1CN(C)[C@@H](C)C[NH+]1CC1(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)COC1 ZINC000360209494 445629071 /nfs/dbraw/zinc/62/90/71/445629071.db2.gz QIFCZNMXJZIKCR-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1CN(C)[C@@H](C)C[NH+]1CC1(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)COC1 ZINC000360209494 445629075 /nfs/dbraw/zinc/62/90/75/445629075.db2.gz QIFCZNMXJZIKCR-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC1(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)COC1 ZINC000360209494 445629079 /nfs/dbraw/zinc/62/90/79/445629079.db2.gz QIFCZNMXJZIKCR-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC1(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)COC1 ZINC000360209494 445629082 /nfs/dbraw/zinc/62/90/82/445629082.db2.gz QIFCZNMXJZIKCR-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[NH+](CC2(CN3C[C@H](C)[N@H+](C)C[C@H]3C)COC2)[C@@H](C)CN1C ZINC000360209494 445629085 /nfs/dbraw/zinc/62/90/85/445629085.db2.gz QIFCZNMXJZIKCR-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[NH+](CC2(CN3C[C@H](C)[N@@H+](C)C[C@H]3C)COC2)[C@@H](C)CN1C ZINC000360209494 445629088 /nfs/dbraw/zinc/62/90/88/445629088.db2.gz QIFCZNMXJZIKCR-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000362985020 445638455 /nfs/dbraw/zinc/63/84/55/445638455.db2.gz ARYDYRRUBXDIQM-DLBZAZTESA-N 2 2 333.480 1.008 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000362985020 445638456 /nfs/dbraw/zinc/63/84/56/445638456.db2.gz ARYDYRRUBXDIQM-DLBZAZTESA-N 2 2 333.480 1.008 20 0 EDADLP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccn(C)n1 ZINC000349450229 445591250 /nfs/dbraw/zinc/59/12/50/445591250.db2.gz HACSJNUGMNFDGA-INIZCTEOSA-N 2 2 328.464 1.808 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000362883833 445595872 /nfs/dbraw/zinc/59/58/72/445595872.db2.gz FNBVMJAEYDGTLU-CYBMUJFWSA-N 2 2 331.424 1.579 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000363020233 445651460 /nfs/dbraw/zinc/65/14/60/445651460.db2.gz FOVFFVGJHOOJRO-IBGZPJMESA-N 2 2 345.487 1.878 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000363020233 445651463 /nfs/dbraw/zinc/65/14/63/445651463.db2.gz FOVFFVGJHOOJRO-IBGZPJMESA-N 2 2 345.487 1.878 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCC1 ZINC000363020233 445651475 /nfs/dbraw/zinc/65/14/75/445651475.db2.gz FOVFFVGJHOOJRO-IBGZPJMESA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000356228650 445687124 /nfs/dbraw/zinc/68/71/24/445687124.db2.gz YSSGLYAVFYFRNV-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000356228650 445687128 /nfs/dbraw/zinc/68/71/28/445687128.db2.gz YSSGLYAVFYFRNV-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000356228650 445687131 /nfs/dbraw/zinc/68/71/31/445687131.db2.gz YSSGLYAVFYFRNV-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000356228650 445687133 /nfs/dbraw/zinc/68/71/33/445687133.db2.gz YSSGLYAVFYFRNV-IXDOHACOSA-N 2 2 340.512 1.374 20 0 EDADLP Cc1ccc(CCC[NH+]2CCN(c3ccc4nncn4n3)CC2)c[nH+]1 ZINC000353662116 445696679 /nfs/dbraw/zinc/69/66/79/445696679.db2.gz QOPMCJYFNGBAGS-UHFFFAOYSA-N 2 2 337.431 1.583 20 0 EDADLP O=C(NCCNc1cc[nH+]cc1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000356287157 445718384 /nfs/dbraw/zinc/71/83/84/445718384.db2.gz YDVJKRROTQGCKW-UHFFFAOYSA-N 2 2 340.431 1.410 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCOc3ccc(F)cc3)C2)CC1 ZINC000363338965 445771634 /nfs/dbraw/zinc/77/16/34/445771634.db2.gz OQTOJVGCTSKQBK-MRXNPFEDSA-N 2 2 349.450 1.879 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCOc3ccc(F)cc3)C2)CC1 ZINC000363338965 445771641 /nfs/dbraw/zinc/77/16/41/445771641.db2.gz OQTOJVGCTSKQBK-MRXNPFEDSA-N 2 2 349.450 1.879 20 0 EDADLP CCN1CCN(C(=O)NCC[N@H+](CC)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000353824458 445772191 /nfs/dbraw/zinc/77/21/91/445772191.db2.gz BVDXRUNGFKAHOJ-HNNXBMFYSA-N 2 2 336.484 1.528 20 0 EDADLP CCN1CCN(C(=O)NCC[N@@H+](CC)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000353824458 445772195 /nfs/dbraw/zinc/77/21/95/445772195.db2.gz BVDXRUNGFKAHOJ-HNNXBMFYSA-N 2 2 336.484 1.528 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1nc(N)c2ccccc2n1 ZINC000361084887 445748160 /nfs/dbraw/zinc/74/81/60/445748160.db2.gz BVTYCPVDMPHAKX-XYPHTWIQSA-N 2 2 341.459 1.896 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1nc(N)c2ccccc2n1 ZINC000361084887 445748162 /nfs/dbraw/zinc/74/81/62/445748162.db2.gz BVTYCPVDMPHAKX-XYPHTWIQSA-N 2 2 341.459 1.896 20 0 EDADLP CC(C)NC(=O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358868982 445822727 /nfs/dbraw/zinc/82/27/27/445822727.db2.gz FDQWOMNVZQFIBG-IYBDPMFKSA-N 2 2 341.496 1.101 20 0 EDADLP CC(C)NC(=O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358868982 445822732 /nfs/dbraw/zinc/82/27/32/445822732.db2.gz FDQWOMNVZQFIBG-IYBDPMFKSA-N 2 2 341.496 1.101 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000361510048 445795483 /nfs/dbraw/zinc/79/54/83/445795483.db2.gz GAUQPQPKOOCPSH-ULQDDVLXSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000361510048 445795488 /nfs/dbraw/zinc/79/54/88/445795488.db2.gz GAUQPQPKOOCPSH-ULQDDVLXSA-N 2 2 337.508 1.866 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353907069 445807688 /nfs/dbraw/zinc/80/76/88/445807688.db2.gz WGXSFGBNXAYHST-QZTJIDSGSA-N 2 2 337.508 1.964 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353907069 445807693 /nfs/dbraw/zinc/80/76/93/445807693.db2.gz WGXSFGBNXAYHST-QZTJIDSGSA-N 2 2 337.508 1.964 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000363448934 445807727 /nfs/dbraw/zinc/80/77/27/445807727.db2.gz HZKHVRBORYSGCN-IRXDYDNUSA-N 2 2 332.448 1.759 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000361541332 445811275 /nfs/dbraw/zinc/81/12/75/445811275.db2.gz OGXGEGVPKQVBQU-CYBMUJFWSA-N 2 2 346.258 1.390 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000361684744 445875910 /nfs/dbraw/zinc/87/59/10/445875910.db2.gz AJJGXWKCFJRNOC-GOSISDBHSA-N 2 2 345.487 1.921 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000361684744 445875914 /nfs/dbraw/zinc/87/59/14/445875914.db2.gz AJJGXWKCFJRNOC-GOSISDBHSA-N 2 2 345.487 1.921 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000361687040 445877446 /nfs/dbraw/zinc/87/74/46/445877446.db2.gz NHJYZROTLFSRNK-KURKYZTESA-N 2 2 343.471 1.522 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000361687040 445877448 /nfs/dbraw/zinc/87/74/48/445877448.db2.gz NHJYZROTLFSRNK-KURKYZTESA-N 2 2 343.471 1.522 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000361687040 445877449 /nfs/dbraw/zinc/87/74/49/445877449.db2.gz NHJYZROTLFSRNK-KURKYZTESA-N 2 2 343.471 1.522 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)CC[C@@H]21 ZINC000361687040 445877450 /nfs/dbraw/zinc/87/74/50/445877450.db2.gz NHJYZROTLFSRNK-KURKYZTESA-N 2 2 343.471 1.522 20 0 EDADLP COC[C@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000354068889 445885376 /nfs/dbraw/zinc/88/53/76/445885376.db2.gz UQSHYRIURKEFRD-ZDUSSCGKSA-N 2 2 342.403 1.235 20 0 EDADLP COc1cc2[nH+]c(N[C@H]3CCc4[nH+]ccn4C3)nc(N)c2cc1OC ZINC000363515656 445839792 /nfs/dbraw/zinc/83/97/92/445839792.db2.gz JOWKBKHGLCDTPD-JTQLQIEISA-N 2 2 340.387 1.275 20 0 EDADLP CS[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH+]1CCCC1 ZINC000361631834 445857385 /nfs/dbraw/zinc/85/73/85/445857385.db2.gz QRCABVWGPLCCCF-HUUCEWRRSA-N 2 2 338.477 1.388 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCOCC1 ZINC000361666509 445867822 /nfs/dbraw/zinc/86/78/22/445867822.db2.gz HOPQIUQAPMTUBV-IAGOWNOFSA-N 2 2 336.480 1.164 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)CN1CCOCC1 ZINC000361666509 445867829 /nfs/dbraw/zinc/86/78/29/445867829.db2.gz HOPQIUQAPMTUBV-IAGOWNOFSA-N 2 2 336.480 1.164 20 0 EDADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000356678314 445933048 /nfs/dbraw/zinc/93/30/48/445933048.db2.gz AQTXLRLFOMRGNH-QZTJIDSGSA-N 2 2 345.487 1.913 20 0 EDADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000356678314 445933051 /nfs/dbraw/zinc/93/30/51/445933051.db2.gz AQTXLRLFOMRGNH-QZTJIDSGSA-N 2 2 345.487 1.913 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000356678314 445933056 /nfs/dbraw/zinc/93/30/56/445933056.db2.gz AQTXLRLFOMRGNH-QZTJIDSGSA-N 2 2 345.487 1.913 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000356678314 445933060 /nfs/dbraw/zinc/93/30/60/445933060.db2.gz AQTXLRLFOMRGNH-QZTJIDSGSA-N 2 2 345.487 1.913 20 0 EDADLP CCOCC[N@@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@H]1CC ZINC000354077329 445889837 /nfs/dbraw/zinc/88/98/37/445889837.db2.gz YKYGOGLYXKTHJM-MRXNPFEDSA-N 2 2 349.479 1.250 20 0 EDADLP CCOCC[N@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@H]1CC ZINC000354077329 445889840 /nfs/dbraw/zinc/88/98/40/445889840.db2.gz YKYGOGLYXKTHJM-MRXNPFEDSA-N 2 2 349.479 1.250 20 0 EDADLP CO[C@@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000359038681 445901763 /nfs/dbraw/zinc/90/17/63/445901763.db2.gz GDZLKLHNZMUTSC-LSDHHAIUSA-N 2 2 339.867 1.784 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000359038681 445901775 /nfs/dbraw/zinc/90/17/75/445901775.db2.gz GDZLKLHNZMUTSC-LSDHHAIUSA-N 2 2 339.867 1.784 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000356645669 445910685 /nfs/dbraw/zinc/91/06/85/445910685.db2.gz CMQGBMQCFSRHIL-FUHWJXTLSA-N 2 2 345.487 1.770 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000356645669 445910687 /nfs/dbraw/zinc/91/06/87/445910687.db2.gz CMQGBMQCFSRHIL-FUHWJXTLSA-N 2 2 345.487 1.770 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000356645669 445910689 /nfs/dbraw/zinc/91/06/89/445910689.db2.gz CMQGBMQCFSRHIL-FUHWJXTLSA-N 2 2 345.487 1.770 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000356645669 445910691 /nfs/dbraw/zinc/91/06/91/445910691.db2.gz CMQGBMQCFSRHIL-FUHWJXTLSA-N 2 2 345.487 1.770 20 0 EDADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1N1CCOCC1 ZINC000361745428 445911386 /nfs/dbraw/zinc/91/13/86/445911386.db2.gz RKTDCPDUICJNGF-ROUUACIJSA-N 2 2 341.459 1.810 20 0 EDADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1N1CCOCC1 ZINC000361745428 445911393 /nfs/dbraw/zinc/91/13/93/445911393.db2.gz RKTDCPDUICJNGF-ROUUACIJSA-N 2 2 341.459 1.810 20 0 EDADLP CCC[NH+]1CCN(C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)CC1 ZINC000369153717 445956516 /nfs/dbraw/zinc/95/65/16/445956516.db2.gz DXJDXLGIIYBBKR-UHFFFAOYSA-N 2 2 328.464 1.954 20 0 EDADLP CCCN1CC[NH+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)CC1 ZINC000369153717 445956524 /nfs/dbraw/zinc/95/65/24/445956524.db2.gz DXJDXLGIIYBBKR-UHFFFAOYSA-N 2 2 328.464 1.954 20 0 EDADLP Cc1nc(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)c(C)c(C)[nH+]1 ZINC000361816541 445969915 /nfs/dbraw/zinc/96/99/15/445969915.db2.gz TXMVXFNSCJDXMM-INIZCTEOSA-N 2 2 331.464 1.392 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)no1 ZINC000359158251 445988287 /nfs/dbraw/zinc/98/82/87/445988287.db2.gz HSJRFAUTYIUCFA-HNNXBMFYSA-N 2 2 332.404 1.896 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000351118554 445996493 /nfs/dbraw/zinc/99/64/93/445996493.db2.gz SMJPXTNGHFQIEI-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365107701 446030066 /nfs/dbraw/zinc/03/00/66/446030066.db2.gz IYNCMAVEMQUGPH-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000365107701 446030072 /nfs/dbraw/zinc/03/00/72/446030072.db2.gz IYNCMAVEMQUGPH-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000583193108 326022783 /nfs/dbraw/zinc/02/27/83/326022783.db2.gz CVTAXXKGBPJKPD-BRWVUGGUSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000583193108 326022784 /nfs/dbraw/zinc/02/27/84/326022784.db2.gz CVTAXXKGBPJKPD-BRWVUGGUSA-N 2 2 338.496 1.271 20 0 EDADLP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000583258519 326035588 /nfs/dbraw/zinc/03/55/88/326035588.db2.gz ZPNZDETTXNHCHM-MRXNPFEDSA-N 2 2 345.409 1.837 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCc3ccccc3N)C2)CC1 ZINC000366160324 446050346 /nfs/dbraw/zinc/05/03/46/446050346.db2.gz RLOYLHTYHVFOEC-INIZCTEOSA-N 2 2 330.476 1.486 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCc3ccccc3N)C2)CC1 ZINC000366160324 446050349 /nfs/dbraw/zinc/05/03/49/446050349.db2.gz RLOYLHTYHVFOEC-INIZCTEOSA-N 2 2 330.476 1.486 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3cccc(F)c3)C2)CC1 ZINC000365158702 446059632 /nfs/dbraw/zinc/05/96/32/446059632.db2.gz GJPUTGUJOAABRL-KRWDZBQOSA-N 2 2 348.466 1.836 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3cccc(F)c3)C2)CC1 ZINC000365158702 446059637 /nfs/dbraw/zinc/05/96/37/446059637.db2.gz GJPUTGUJOAABRL-KRWDZBQOSA-N 2 2 348.466 1.836 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000583761987 326135882 /nfs/dbraw/zinc/13/58/82/326135882.db2.gz HZNIBAPAXGDJGK-IEBWSBKVSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000583761987 326135883 /nfs/dbraw/zinc/13/58/83/326135883.db2.gz HZNIBAPAXGDJGK-IEBWSBKVSA-N 2 2 345.487 1.826 20 0 EDADLP [NH3+]C1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000584042456 326188750 /nfs/dbraw/zinc/18/87/50/326188750.db2.gz LVKSWQPGFPYDOV-INIZCTEOSA-N 2 2 332.448 1.068 20 0 EDADLP [NH3+]C1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000584042456 326188753 /nfs/dbraw/zinc/18/87/53/326188753.db2.gz LVKSWQPGFPYDOV-INIZCTEOSA-N 2 2 332.448 1.068 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CC[NH+](C2CCC2)CC1 ZINC000369314761 446067001 /nfs/dbraw/zinc/06/70/01/446067001.db2.gz DODXSKOYWFQIAA-UHFFFAOYSA-N 2 2 340.431 1.647 20 0 EDADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000356854647 446072466 /nfs/dbraw/zinc/07/24/66/446072466.db2.gz UTUBWPIOYIJOGD-BZSNNMDCSA-N 2 2 339.524 1.970 20 0 EDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359298789 446132298 /nfs/dbraw/zinc/13/22/98/446132298.db2.gz GEIIOQUFDOMSBZ-IJLUTSLNSA-N 2 2 338.249 1.927 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000365257718 446107952 /nfs/dbraw/zinc/10/79/52/446107952.db2.gz JJEFUZQDUIQQOM-INIZCTEOSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000365257718 446107956 /nfs/dbraw/zinc/10/79/56/446107956.db2.gz JJEFUZQDUIQQOM-INIZCTEOSA-N 3 2 349.523 1.081 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000369373517 446113357 /nfs/dbraw/zinc/11/33/57/446113357.db2.gz PQDPIIZSIKEFAP-LSDHHAIUSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000369373517 446113363 /nfs/dbraw/zinc/11/33/63/446113363.db2.gz PQDPIIZSIKEFAP-LSDHHAIUSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359282055 446117664 /nfs/dbraw/zinc/11/76/64/446117664.db2.gz SHLLMQPJKBDNQL-MNEFBYGVSA-N 2 2 327.472 1.965 20 0 EDADLP CCOC(=O)c1coc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000354333242 446119796 /nfs/dbraw/zinc/11/97/96/446119796.db2.gz XOEWZNIDXOCLQV-ZDUSSCGKSA-N 2 2 337.420 1.133 20 0 EDADLP CCOC(=O)c1coc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000354333242 446119802 /nfs/dbraw/zinc/11/98/02/446119802.db2.gz XOEWZNIDXOCLQV-ZDUSSCGKSA-N 2 2 337.420 1.133 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359285265 446120014 /nfs/dbraw/zinc/12/00/14/446120014.db2.gz MFCNHARHBZZGBF-KBPBESRZSA-N 2 2 337.851 1.328 20 0 EDADLP CN1CC[NH+](CCC(C)(C)Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000351564637 446162770 /nfs/dbraw/zinc/16/27/70/446162770.db2.gz SYOIRTFSKXSFPI-UHFFFAOYSA-N 2 2 332.496 1.293 20 0 EDADLP CN1CC[NH+](CCC(C)(C)Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000351564637 446162775 /nfs/dbraw/zinc/16/27/75/446162775.db2.gz SYOIRTFSKXSFPI-UHFFFAOYSA-N 2 2 332.496 1.293 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000365325921 446148169 /nfs/dbraw/zinc/14/81/69/446148169.db2.gz JJKNQEVOEPYQDR-IRXDYDNUSA-N 2 2 326.400 1.465 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000365325921 446148172 /nfs/dbraw/zinc/14/81/72/446148172.db2.gz JJKNQEVOEPYQDR-IRXDYDNUSA-N 2 2 326.400 1.465 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCCCn2cc[nH+]c2)CCOc2ccccc21 ZINC000365526422 446241977 /nfs/dbraw/zinc/24/19/77/446241977.db2.gz URPJZNWWRZQJBD-GOSISDBHSA-N 2 2 328.416 1.629 20 0 EDADLP Cc1ccc(N2CCC[C@@H](C(=O)NC[C@H](C)[NH+]3CCOCC3)C2)[nH+]c1 ZINC000365526201 446242037 /nfs/dbraw/zinc/24/20/37/446242037.db2.gz FEGYZNGUYIHAOI-DLBZAZTESA-N 2 2 346.475 1.443 20 0 EDADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)c1ccco1 ZINC000359566476 446294642 /nfs/dbraw/zinc/29/46/42/446294642.db2.gz VRQVPQACCQKXMR-CABCVRRESA-N 2 2 337.464 1.936 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC000362183140 446250527 /nfs/dbraw/zinc/25/05/27/446250527.db2.gz OAJQJZPVQYNCDP-APWZRJJASA-N 2 2 331.460 1.349 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(O)C2)CC1 ZINC000362183140 446250530 /nfs/dbraw/zinc/25/05/30/446250530.db2.gz OAJQJZPVQYNCDP-APWZRJJASA-N 2 2 331.460 1.349 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)NCc1ccccc1F ZINC000365552881 446252263 /nfs/dbraw/zinc/25/22/63/446252263.db2.gz OTBZMMNSCCRBQP-RYRKJORJSA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)NCc1ccccc1F ZINC000365552881 446252265 /nfs/dbraw/zinc/25/22/65/446252265.db2.gz OTBZMMNSCCRBQP-RYRKJORJSA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)NCc1ccccc1F ZINC000365552881 446252267 /nfs/dbraw/zinc/25/22/67/446252267.db2.gz OTBZMMNSCCRBQP-RYRKJORJSA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)NCc1ccccc1F ZINC000365552881 446252269 /nfs/dbraw/zinc/25/22/69/446252269.db2.gz OTBZMMNSCCRBQP-RYRKJORJSA-N 2 2 331.435 1.858 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373587652 446272495 /nfs/dbraw/zinc/27/24/95/446272495.db2.gz YDPBNCSJUACGPI-IRXDYDNUSA-N 2 2 326.444 1.735 20 0 EDADLP CC(C)S(=O)(=O)CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000370433833 446277412 /nfs/dbraw/zinc/27/74/12/446277412.db2.gz NAUIYXKZOKPCJD-UHFFFAOYSA-N 2 2 332.510 1.244 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)[NH+]1CCOCC1 ZINC000359542833 446282559 /nfs/dbraw/zinc/28/25/59/446282559.db2.gz LZGCOTGKEJSHAJ-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000365684187 446300020 /nfs/dbraw/zinc/30/00/20/446300020.db2.gz ZPYIUURBIINSDJ-SFHVURJKSA-N 2 2 332.492 1.261 20 0 EDADLP CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000365684187 446300024 /nfs/dbraw/zinc/30/00/24/446300024.db2.gz ZPYIUURBIINSDJ-SFHVURJKSA-N 2 2 332.492 1.261 20 0 EDADLP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000365684187 446300027 /nfs/dbraw/zinc/30/00/27/446300027.db2.gz ZPYIUURBIINSDJ-SFHVURJKSA-N 2 2 332.492 1.261 20 0 EDADLP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000365684187 446300030 /nfs/dbraw/zinc/30/00/30/446300030.db2.gz ZPYIUURBIINSDJ-SFHVURJKSA-N 2 2 332.492 1.261 20 0 EDADLP CN(CCCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)CC[NH+](C)C ZINC000365684187 446300032 /nfs/dbraw/zinc/30/00/32/446300032.db2.gz ZPYIUURBIINSDJ-SFHVURJKSA-N 2 2 332.492 1.261 20 0 EDADLP CN(CCCNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)CC[NH+](C)C ZINC000365684187 446300035 /nfs/dbraw/zinc/30/00/35/446300035.db2.gz ZPYIUURBIINSDJ-SFHVURJKSA-N 2 2 332.492 1.261 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000365717005 446312732 /nfs/dbraw/zinc/31/27/32/446312732.db2.gz NKILVWSWJZFSCQ-WMLDXEAASA-N 2 2 338.496 1.005 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NCC1CC[NH+](C3CC3)CC1)C2 ZINC000365814628 446354038 /nfs/dbraw/zinc/35/40/38/446354038.db2.gz JPALGHQZLKLDTI-UHFFFAOYSA-N 2 2 331.464 1.900 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417501473 446356041 /nfs/dbraw/zinc/35/60/41/446356041.db2.gz ITIKOLAKRLMLDZ-QGZVFWFLSA-N 2 2 348.491 1.659 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417501473 446356046 /nfs/dbraw/zinc/35/60/46/446356046.db2.gz ITIKOLAKRLMLDZ-QGZVFWFLSA-N 2 2 348.491 1.659 20 0 EDADLP Cc1cc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000417895519 446378864 /nfs/dbraw/zinc/37/88/64/446378864.db2.gz OPAJBMBVNRLTPW-UHFFFAOYSA-N 3 2 328.464 1.425 20 0 EDADLP Brc1cnn(CCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423123265 446431744 /nfs/dbraw/zinc/43/17/44/446431744.db2.gz KWFVNTGUHMDNPI-KBPBESRZSA-N 2 2 343.269 1.392 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000431797957 446435231 /nfs/dbraw/zinc/43/52/31/446435231.db2.gz GBKZLMBEORPMEJ-DZGCQCFKSA-N 2 2 347.463 1.831 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000431797957 446435240 /nfs/dbraw/zinc/43/52/40/446435240.db2.gz GBKZLMBEORPMEJ-DZGCQCFKSA-N 2 2 347.463 1.831 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000431797960 446435292 /nfs/dbraw/zinc/43/52/92/446435292.db2.gz GBKZLMBEORPMEJ-ZFWWWQNUSA-N 2 2 347.463 1.831 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000431797960 446435301 /nfs/dbraw/zinc/43/53/01/446435301.db2.gz GBKZLMBEORPMEJ-ZFWWWQNUSA-N 2 2 347.463 1.831 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCCOC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000366944749 446421632 /nfs/dbraw/zinc/42/16/32/446421632.db2.gz OBVUFERRWFCPIG-IBGZPJMESA-N 2 2 347.459 1.426 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCCOC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000366944749 446421633 /nfs/dbraw/zinc/42/16/33/446421633.db2.gz OBVUFERRWFCPIG-IBGZPJMESA-N 2 2 347.459 1.426 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000418035609 446422284 /nfs/dbraw/zinc/42/22/84/446422284.db2.gz AQOKUCKGKBGJTL-INIZCTEOSA-N 2 2 327.432 1.759 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418052810 446426802 /nfs/dbraw/zinc/42/68/02/446426802.db2.gz XRLYAQVKKGZJQI-GASCZTMLSA-N 2 2 348.878 1.559 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418052810 446426805 /nfs/dbraw/zinc/42/68/05/446426805.db2.gz XRLYAQVKKGZJQI-GASCZTMLSA-N 2 2 348.878 1.559 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1cscn1 ZINC000423305280 446480894 /nfs/dbraw/zinc/48/08/94/446480894.db2.gz QJJDEAIMQARSFT-MRXNPFEDSA-N 2 2 330.457 1.530 20 0 EDADLP c1cc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423234751 446460851 /nfs/dbraw/zinc/46/08/51/446460851.db2.gz QAWGBPVNVJSOBR-GVDBMIGSSA-N 3 2 331.464 1.060 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420303197 446465884 /nfs/dbraw/zinc/46/58/84/446465884.db2.gz HLMIMNYERIATLA-BPUTZDHNSA-N 2 2 331.416 1.471 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420303197 446465891 /nfs/dbraw/zinc/46/58/91/446465891.db2.gz HLMIMNYERIATLA-BPUTZDHNSA-N 2 2 331.416 1.471 20 0 EDADLP Cc1nn(C)c(C)c1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370842946 446475102 /nfs/dbraw/zinc/47/51/02/446475102.db2.gz QOZKXVQDQIQGRE-KRWDZBQOSA-N 2 2 347.507 1.206 20 0 EDADLP Cc1nn(C)c(C)c1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370842946 446475106 /nfs/dbraw/zinc/47/51/06/446475106.db2.gz QOZKXVQDQIQGRE-KRWDZBQOSA-N 2 2 347.507 1.206 20 0 EDADLP CCc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325128 446490985 /nfs/dbraw/zinc/49/09/85/446490985.db2.gz ICZCOVZZJKEZQM-MRXNPFEDSA-N 2 2 331.460 1.875 20 0 EDADLP CCc1ccccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420325128 446490990 /nfs/dbraw/zinc/49/09/90/446490990.db2.gz ICZCOVZZJKEZQM-MRXNPFEDSA-N 2 2 331.460 1.875 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000423368739 446505741 /nfs/dbraw/zinc/50/57/41/446505741.db2.gz FLOHLAPDQQAVDQ-NTZNESFSSA-N 2 2 328.254 1.729 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000418318048 446497340 /nfs/dbraw/zinc/49/73/40/446497340.db2.gz ZQDRCANXKYHFNN-MRXNPFEDSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418477683 446557931 /nfs/dbraw/zinc/55/79/31/446557931.db2.gz VSYQPQVUQVIGCP-AGIUHOORSA-N 2 2 328.457 1.555 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418477683 446557939 /nfs/dbraw/zinc/55/79/39/446557939.db2.gz VSYQPQVUQVIGCP-AGIUHOORSA-N 2 2 328.457 1.555 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423516806 446559982 /nfs/dbraw/zinc/55/99/82/446559982.db2.gz NRDXZJAJBFONHB-IUODEOHRSA-N 2 2 328.382 1.971 20 0 EDADLP CC(C)C[C@H](NC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420388965 446564991 /nfs/dbraw/zinc/56/49/91/446564991.db2.gz LTXMAPZOCSXJKC-ROUUACIJSA-N 2 2 333.476 1.940 20 0 EDADLP CC(C)C[C@H](NC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420388965 446565000 /nfs/dbraw/zinc/56/50/00/446565000.db2.gz LTXMAPZOCSXJKC-ROUUACIJSA-N 2 2 333.476 1.940 20 0 EDADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000423416206 446524438 /nfs/dbraw/zinc/52/44/38/446524438.db2.gz FOOFYSKGKVTASZ-BBRMVZONSA-N 2 2 341.477 1.477 20 0 EDADLP CCOC(=O)c1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000411410503 446526493 /nfs/dbraw/zinc/52/64/93/446526493.db2.gz SICNDXFBZYYCLX-UHFFFAOYSA-N 2 2 348.491 1.716 20 0 EDADLP CCOC(=O)c1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000411410503 446526501 /nfs/dbraw/zinc/52/65/01/446526501.db2.gz SICNDXFBZYYCLX-UHFFFAOYSA-N 2 2 348.491 1.716 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)nc1 ZINC000411410503 446526508 /nfs/dbraw/zinc/52/65/08/446526508.db2.gz SICNDXFBZYYCLX-UHFFFAOYSA-N 2 2 348.491 1.716 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)nc1 ZINC000411410503 446526514 /nfs/dbraw/zinc/52/65/14/446526514.db2.gz SICNDXFBZYYCLX-UHFFFAOYSA-N 2 2 348.491 1.716 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)CC3(C[NH3+])CC3)CC2)cc(OC)c1 ZINC000423422038 446527758 /nfs/dbraw/zinc/52/77/58/446527758.db2.gz CJCKSYNSTIEAPP-UHFFFAOYSA-N 2 2 347.459 1.477 20 0 EDADLP COc1cccc(S(=O)(=O)CC[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000420353549 446533667 /nfs/dbraw/zinc/53/36/67/446533667.db2.gz AOJZVQIANMNAIL-QGZVFWFLSA-N 2 2 340.489 1.966 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418411286 446534318 /nfs/dbraw/zinc/53/43/18/446534318.db2.gz PCTSTDNGZIKQBN-ZFWWWQNUSA-N 2 2 337.493 1.488 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418411286 446534321 /nfs/dbraw/zinc/53/43/21/446534321.db2.gz PCTSTDNGZIKQBN-ZFWWWQNUSA-N 2 2 337.493 1.488 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC2)s1 ZINC000418416371 446537160 /nfs/dbraw/zinc/53/71/60/446537160.db2.gz QTAQXYBUSBUZPX-AWEZNQCLSA-N 2 2 339.509 1.652 20 0 EDADLP [NH3+]C[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000420361150 446541848 /nfs/dbraw/zinc/54/18/48/446541848.db2.gz MTCLKCOUSDUWBG-OAHLLOKOSA-N 2 2 333.432 1.529 20 0 EDADLP CCCCNc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc(N)[nH+]1 ZINC000367420428 446544828 /nfs/dbraw/zinc/54/48/28/446544828.db2.gz RAWVXORXMFOIQZ-ZIAGYGMSSA-N 2 2 334.468 1.306 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374856 446552117 /nfs/dbraw/zinc/55/21/17/446552117.db2.gz OAPRRUMFOSGHKA-YJBOKZPZSA-N 2 2 334.464 2.556 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374856 446552121 /nfs/dbraw/zinc/55/21/21/446552121.db2.gz OAPRRUMFOSGHKA-YJBOKZPZSA-N 2 2 334.464 2.556 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000453257463 446553651 /nfs/dbraw/zinc/55/36/51/446553651.db2.gz GVTDVGWMMLJNHN-MISYRCLQSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCCN1CCO ZINC000453257463 446553658 /nfs/dbraw/zinc/55/36/58/446553658.db2.gz GVTDVGWMMLJNHN-MISYRCLQSA-N 2 2 346.519 1.728 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc(OC)c1OC ZINC000420392791 446569209 /nfs/dbraw/zinc/56/92/09/446569209.db2.gz ZZVZZVSWQLGVKR-DGCLKSJQSA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc(OC)c1OC ZINC000420392791 446569210 /nfs/dbraw/zinc/56/92/10/446569210.db2.gz ZZVZZVSWQLGVKR-DGCLKSJQSA-N 2 2 337.420 1.320 20 0 EDADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420395249 446570548 /nfs/dbraw/zinc/57/05/48/446570548.db2.gz SPPJOCUYCFZQHW-JSGCOSHPSA-N 2 2 341.402 1.534 20 0 EDADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420395249 446570551 /nfs/dbraw/zinc/57/05/51/446570551.db2.gz SPPJOCUYCFZQHW-JSGCOSHPSA-N 2 2 341.402 1.534 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000418509143 446573284 /nfs/dbraw/zinc/57/32/84/446573284.db2.gz BAHGNBXPNRCOSD-CQSZACIVSA-N 2 2 336.867 1.777 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420403903 446576010 /nfs/dbraw/zinc/57/60/10/446576010.db2.gz LOBDQIKNVLGYCZ-IUODEOHRSA-N 2 2 333.432 1.637 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420403903 446576016 /nfs/dbraw/zinc/57/60/16/446576016.db2.gz LOBDQIKNVLGYCZ-IUODEOHRSA-N 2 2 333.432 1.637 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000367850123 446599347 /nfs/dbraw/zinc/59/93/47/446599347.db2.gz RXSDOHLZBATRJT-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000367850123 446599355 /nfs/dbraw/zinc/59/93/55/446599355.db2.gz RXSDOHLZBATRJT-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000418598019 446608377 /nfs/dbraw/zinc/60/83/77/446608377.db2.gz FIGBWEZTWNRQGL-UHFFFAOYSA-N 2 2 334.489 1.885 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423617673 446609475 /nfs/dbraw/zinc/60/94/75/446609475.db2.gz GVTFRHPUWOLLJI-HNNXBMFYSA-N 2 2 349.479 1.024 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423746256 446676076 /nfs/dbraw/zinc/67/60/76/446676076.db2.gz NNZJKMUJLGZRMB-CYBMUJFWSA-N 2 2 349.866 1.487 20 0 EDADLP OCc1cn(CCC[NH2+]C2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000368100850 446641749 /nfs/dbraw/zinc/64/17/49/446641749.db2.gz INXSAJPQQNMTBJ-UHFFFAOYSA-N 2 2 335.477 1.476 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc[nH+]1 ZINC000371129377 446644177 /nfs/dbraw/zinc/64/41/77/446644177.db2.gz LQDFXBWALMMJJI-HZPDHXFCSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]cn1 ZINC000371129377 446644185 /nfs/dbraw/zinc/64/41/85/446644185.db2.gz LQDFXBWALMMJJI-HZPDHXFCSA-N 2 2 347.463 1.103 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000376687881 446653077 /nfs/dbraw/zinc/65/30/77/446653077.db2.gz IKLBKOPKAVZGNT-JKSUJKDBSA-N 3 2 345.491 1.516 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@H]([NH3+])CC)CC2)cc1 ZINC000418731267 446657685 /nfs/dbraw/zinc/65/76/85/446657685.db2.gz PTJKESKZOHDCJQ-MRXNPFEDSA-N 2 2 334.464 1.650 20 0 EDADLP Cc1nc([C@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000368132804 446658704 /nfs/dbraw/zinc/65/87/04/446658704.db2.gz RSXXWUXIKUZEMX-ZDUSSCGKSA-N 2 2 335.452 1.315 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000376701469 446661754 /nfs/dbraw/zinc/66/17/54/446661754.db2.gz RCKXSMHTYOMDAU-RTBURBONSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000376701469 446661758 /nfs/dbraw/zinc/66/17/58/446661758.db2.gz RCKXSMHTYOMDAU-RTBURBONSA-N 2 2 349.519 1.964 20 0 EDADLP CCOC(=O)C(C)(C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376708868 446666226 /nfs/dbraw/zinc/66/62/26/446666226.db2.gz BQTOFMKSWIDXDB-AWEZNQCLSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)C(C)(C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376708868 446666234 /nfs/dbraw/zinc/66/62/34/446666234.db2.gz BQTOFMKSWIDXDB-AWEZNQCLSA-N 2 2 339.480 1.251 20 0 EDADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2ccco2)CC1 ZINC000418751003 446669962 /nfs/dbraw/zinc/66/99/62/446669962.db2.gz PWWHFDYIDOFKGW-ZDUSSCGKSA-N 2 2 328.363 1.104 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418754620 446674148 /nfs/dbraw/zinc/67/41/48/446674148.db2.gz BHOKREMEFORNSE-INIZCTEOSA-N 2 2 335.452 1.073 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000371090110 446621787 /nfs/dbraw/zinc/62/17/87/446621787.db2.gz WEGAYJJRAIHWHH-YJBOKZPZSA-N 2 2 346.475 1.441 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000371090110 446621793 /nfs/dbraw/zinc/62/17/93/446621793.db2.gz WEGAYJJRAIHWHH-YJBOKZPZSA-N 2 2 346.475 1.441 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423646519 446623759 /nfs/dbraw/zinc/62/37/59/446623759.db2.gz UXQUWKAFGOZMNR-FUHWJXTLSA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423646519 446623762 /nfs/dbraw/zinc/62/37/62/446623762.db2.gz UXQUWKAFGOZMNR-FUHWJXTLSA-N 2 2 335.492 1.478 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000371111633 446633953 /nfs/dbraw/zinc/63/39/53/446633953.db2.gz XAGAWWRMDCQXSC-GDBMZVCRSA-N 2 2 331.395 1.804 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000371111633 446633961 /nfs/dbraw/zinc/63/39/61/446633961.db2.gz XAGAWWRMDCQXSC-GDBMZVCRSA-N 2 2 331.395 1.804 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411834329 446690344 /nfs/dbraw/zinc/69/03/44/446690344.db2.gz NVLADRGIWQVUPH-OAHLLOKOSA-N 2 2 329.510 1.361 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411834329 446690350 /nfs/dbraw/zinc/69/03/50/446690350.db2.gz NVLADRGIWQVUPH-OAHLLOKOSA-N 2 2 329.510 1.361 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000418773428 446690928 /nfs/dbraw/zinc/69/09/28/446690928.db2.gz VGCFUVPOAUGHEV-HUUCEWRRSA-N 2 2 344.450 1.605 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000418773428 446690936 /nfs/dbraw/zinc/69/09/36/446690936.db2.gz VGCFUVPOAUGHEV-HUUCEWRRSA-N 2 2 344.450 1.605 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371243436 446711865 /nfs/dbraw/zinc/71/18/65/446711865.db2.gz JZYJLKDPEJAZJN-HOTGVXAUSA-N 2 2 325.416 1.872 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423831777 446721146 /nfs/dbraw/zinc/72/11/46/446721146.db2.gz RFCPAYROSZVLDA-UKRRQHHQSA-N 2 2 341.377 1.965 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423831777 446721151 /nfs/dbraw/zinc/72/11/51/446721151.db2.gz RFCPAYROSZVLDA-UKRRQHHQSA-N 2 2 341.377 1.965 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423837727 446725743 /nfs/dbraw/zinc/72/57/43/446725743.db2.gz XBZZSKNKLLOMQN-BFHYXJOUSA-N 2 2 325.865 1.864 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423837727 446725751 /nfs/dbraw/zinc/72/57/51/446725751.db2.gz XBZZSKNKLLOMQN-BFHYXJOUSA-N 2 2 325.865 1.864 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H](O)c3cccc(F)c3)C2)CC1 ZINC000376804197 446730079 /nfs/dbraw/zinc/73/00/79/446730079.db2.gz KPXMHCGVLABIRK-SJLPKXTDSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H](O)c3cccc(F)c3)C2)CC1 ZINC000376804197 446730082 /nfs/dbraw/zinc/73/00/82/446730082.db2.gz KPXMHCGVLABIRK-SJLPKXTDSA-N 2 2 349.450 1.534 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@]3(F)CC[NH2+]C3)CC2)cc1 ZINC000371271924 446730413 /nfs/dbraw/zinc/73/04/13/446730413.db2.gz XRDNYKYSJONTCY-GOSISDBHSA-N 2 2 334.439 1.539 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@@]3(F)CC[NH2+]C3)CC2)cc1 ZINC000371271924 446730416 /nfs/dbraw/zinc/73/04/16/446730416.db2.gz XRDNYKYSJONTCY-GOSISDBHSA-N 2 2 334.439 1.539 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423860255 446734276 /nfs/dbraw/zinc/73/42/76/446734276.db2.gz ABOFGHDGCIKZJM-CVEARBPZSA-N 2 2 327.432 1.244 20 0 EDADLP C[C@H](C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)[C@H]([NH3+])c1ccccc1 ZINC000423878465 446738027 /nfs/dbraw/zinc/73/80/27/446738027.db2.gz UNNZTHJKOAHQFY-UAGQMJEPSA-N 2 2 341.459 1.571 20 0 EDADLP CC(C)(C[NH3+])C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000423904503 446756111 /nfs/dbraw/zinc/75/61/11/446756111.db2.gz XRIFDKOHPAHPKA-UHFFFAOYSA-N 2 2 326.444 1.995 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000371309918 446765252 /nfs/dbraw/zinc/76/52/52/446765252.db2.gz DMTFWDMIWBHHII-CVEARBPZSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000371309918 446765259 /nfs/dbraw/zinc/76/52/59/446765259.db2.gz DMTFWDMIWBHHII-CVEARBPZSA-N 2 2 331.464 1.834 20 0 EDADLP CCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1scnc1C ZINC000423921711 446769843 /nfs/dbraw/zinc/76/98/43/446769843.db2.gz IGTHTLDGRVXZDD-IHRRRGAJSA-N 2 2 342.484 1.950 20 0 EDADLP CCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1scnc1C ZINC000423921711 446769850 /nfs/dbraw/zinc/76/98/50/446769850.db2.gz IGTHTLDGRVXZDD-IHRRRGAJSA-N 2 2 342.484 1.950 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)[C@H](C)[NH3+] ZINC000423925493 446775377 /nfs/dbraw/zinc/77/53/77/446775377.db2.gz FRESULBZFQIAPZ-ILXRZTDVSA-N 2 2 332.448 1.645 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2cn[nH]c21 ZINC000371327467 446776355 /nfs/dbraw/zinc/77/63/55/446776355.db2.gz WZWGOJRTWWZQAI-INIZCTEOSA-N 2 2 333.480 1.314 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2cn[nH]c21 ZINC000371327467 446776364 /nfs/dbraw/zinc/77/63/64/446776364.db2.gz WZWGOJRTWWZQAI-INIZCTEOSA-N 2 2 333.480 1.314 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000371327467 446776372 /nfs/dbraw/zinc/77/63/72/446776372.db2.gz WZWGOJRTWWZQAI-INIZCTEOSA-N 2 2 333.480 1.314 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000371327467 446776381 /nfs/dbraw/zinc/77/63/81/446776381.db2.gz WZWGOJRTWWZQAI-INIZCTEOSA-N 2 2 333.480 1.314 20 0 EDADLP CCCCOC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368330036 446790435 /nfs/dbraw/zinc/79/04/35/446790435.db2.gz FUAVZXUKWSLQEI-UHFFFAOYSA-N 2 2 325.497 1.679 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000424037324 446829027 /nfs/dbraw/zinc/82/90/27/446829027.db2.gz GMCQCKUOVCMZGT-ZWKOTPCHSA-N 2 2 349.519 1.866 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000424037324 446829034 /nfs/dbraw/zinc/82/90/34/446829034.db2.gz GMCQCKUOVCMZGT-ZWKOTPCHSA-N 2 2 349.519 1.866 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000368403766 446841680 /nfs/dbraw/zinc/84/16/80/446841680.db2.gz GEZNQOJEWWLYFM-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000368403766 446841686 /nfs/dbraw/zinc/84/16/86/446841686.db2.gz GEZNQOJEWWLYFM-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000368403766 446841695 /nfs/dbraw/zinc/84/16/95/446841695.db2.gz GEZNQOJEWWLYFM-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000368403766 446841701 /nfs/dbraw/zinc/84/17/01/446841701.db2.gz GEZNQOJEWWLYFM-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[NH+]1CCOCC1 ZINC000424126378 446857798 /nfs/dbraw/zinc/85/77/98/446857798.db2.gz BLOIOVHUCKKGLE-NVXWUHKLSA-N 2 2 325.497 1.901 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371459144 446870024 /nfs/dbraw/zinc/87/00/24/446870024.db2.gz NLQKJXHRWNFFMM-KRWDZBQOSA-N 2 2 338.540 1.735 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371459144 446870027 /nfs/dbraw/zinc/87/00/27/446870027.db2.gz NLQKJXHRWNFFMM-KRWDZBQOSA-N 2 2 338.540 1.735 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2ccccc2O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371458568 446870171 /nfs/dbraw/zinc/87/01/71/446870171.db2.gz LBFVTZWDSUTJLK-MRXNPFEDSA-N 2 2 345.487 1.952 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2ccccc2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371458568 446870177 /nfs/dbraw/zinc/87/01/77/446870177.db2.gz LBFVTZWDSUTJLK-MRXNPFEDSA-N 2 2 345.487 1.952 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)C1CC1 ZINC000375538134 446880335 /nfs/dbraw/zinc/88/03/35/446880335.db2.gz XIFDBDZVFPOAJS-INIZCTEOSA-N 2 2 349.479 1.671 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)C1CC1 ZINC000375538134 446880343 /nfs/dbraw/zinc/88/03/43/446880343.db2.gz XIFDBDZVFPOAJS-INIZCTEOSA-N 2 2 349.479 1.671 20 0 EDADLP C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420921675 446890304 /nfs/dbraw/zinc/89/03/04/446890304.db2.gz LZQMNOHWEDQEET-SFHVURJKSA-N 2 2 347.503 1.407 20 0 EDADLP C[C@@H](CO)[N@H+]1CCCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420921675 446890310 /nfs/dbraw/zinc/89/03/10/446890310.db2.gz LZQMNOHWEDQEET-SFHVURJKSA-N 2 2 347.503 1.407 20 0 EDADLP CC1CCC([NH+]2CCC([N@H+](C)CC(=O)N3CCOCC3)CC2)CC1 ZINC000371497266 446893168 /nfs/dbraw/zinc/89/31/68/446893168.db2.gz KJJTULJGDQTZQC-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP CC1CCC([NH+]2CCC([N@@H+](C)CC(=O)N3CCOCC3)CC2)CC1 ZINC000371497266 446893173 /nfs/dbraw/zinc/89/31/73/446893173.db2.gz KJJTULJGDQTZQC-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000420927437 446897463 /nfs/dbraw/zinc/89/74/63/446897463.db2.gz OKBZHOGUMJOMLF-YCPHGPKFSA-N 2 2 326.481 1.884 20 0 EDADLP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000420927437 446897467 /nfs/dbraw/zinc/89/74/67/446897467.db2.gz OKBZHOGUMJOMLF-YCPHGPKFSA-N 2 2 326.481 1.884 20 0 EDADLP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000420927437 446897471 /nfs/dbraw/zinc/89/74/71/446897471.db2.gz OKBZHOGUMJOMLF-YCPHGPKFSA-N 2 2 326.481 1.884 20 0 EDADLP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000420927437 446897475 /nfs/dbraw/zinc/89/74/75/446897475.db2.gz OKBZHOGUMJOMLF-YCPHGPKFSA-N 2 2 326.481 1.884 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1(C)C ZINC000368524665 446920509 /nfs/dbraw/zinc/92/05/09/446920509.db2.gz ZRRSWCMCBOTCMY-HNNXBMFYSA-N 2 2 348.495 1.325 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1(C)C ZINC000368524665 446920514 /nfs/dbraw/zinc/92/05/14/446920514.db2.gz ZRRSWCMCBOTCMY-HNNXBMFYSA-N 2 2 348.495 1.325 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000442763114 446955068 /nfs/dbraw/zinc/95/50/68/446955068.db2.gz DAOMRUMVIRUUCM-NEPJUHHUSA-N 2 2 348.838 1.528 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000442763114 446955074 /nfs/dbraw/zinc/95/50/74/446955074.db2.gz DAOMRUMVIRUUCM-NEPJUHHUSA-N 2 2 348.838 1.528 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000442764616 446957426 /nfs/dbraw/zinc/95/74/26/446957426.db2.gz UKJZQZAKBMRTKY-CHWSQXEVSA-N 2 2 333.461 1.601 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccnn1Cc1cccs1 ZINC000442764616 446957428 /nfs/dbraw/zinc/95/74/28/446957428.db2.gz UKJZQZAKBMRTKY-CHWSQXEVSA-N 2 2 333.461 1.601 20 0 EDADLP O[C@@H](CN1CCC[C@H]1C[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC000377252142 447021321 /nfs/dbraw/zinc/02/13/21/447021321.db2.gz RGQAHMDQMMGOJW-ZWKOTPCHSA-N 2 2 325.497 1.020 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c2n1CCCC2 ZINC000371982646 446980502 /nfs/dbraw/zinc/98/05/02/446980502.db2.gz CBPJPWWDTNKAQG-UONOGXRCSA-N 2 2 349.479 1.124 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c2n1CCCC2 ZINC000371982646 446980505 /nfs/dbraw/zinc/98/05/05/446980505.db2.gz CBPJPWWDTNKAQG-UONOGXRCSA-N 2 2 349.479 1.124 20 0 EDADLP C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000421026922 446996543 /nfs/dbraw/zinc/99/65/43/446996543.db2.gz SOZGNFVOWDVIOQ-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000421026922 446996548 /nfs/dbraw/zinc/99/65/48/446996548.db2.gz SOZGNFVOWDVIOQ-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000377305984 447054164 /nfs/dbraw/zinc/05/41/64/447054164.db2.gz QHGFAHHHALTQQI-HOCLYGCPSA-N 2 2 349.479 1.481 20 0 EDADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000377305984 447054168 /nfs/dbraw/zinc/05/41/68/447054168.db2.gz QHGFAHHHALTQQI-HOCLYGCPSA-N 2 2 349.479 1.481 20 0 EDADLP C[C@H](O)CNc1cc(N(C)CC(C)(C)C[NH+]2CCOCC2)nc[nH+]1 ZINC000413195067 447060949 /nfs/dbraw/zinc/06/09/49/447060949.db2.gz CATBBFCMMLEJKC-AWEZNQCLSA-N 2 2 337.468 1.064 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413210867 447070441 /nfs/dbraw/zinc/07/04/41/447070441.db2.gz WMWBDJHZWQTFKL-ZBFHGGJFSA-N 2 2 344.463 1.715 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413210867 447070450 /nfs/dbraw/zinc/07/04/50/447070450.db2.gz WMWBDJHZWQTFKL-ZBFHGGJFSA-N 2 2 344.463 1.715 20 0 EDADLP Cc1noc(CCCC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000377260486 447025732 /nfs/dbraw/zinc/02/57/32/447025732.db2.gz YUOSCVOHEDUTRY-CQSZACIVSA-N 2 2 349.479 1.328 20 0 EDADLP Cc1noc(CCCC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000377260486 447025736 /nfs/dbraw/zinc/02/57/36/447025736.db2.gz YUOSCVOHEDUTRY-CQSZACIVSA-N 2 2 349.479 1.328 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000419315236 447078496 /nfs/dbraw/zinc/07/84/96/447078496.db2.gz JPVGTLYFEXGGAT-HUUCEWRRSA-N 2 2 325.497 1.628 20 0 EDADLP CCc1nnc2n1C[C@@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000375829290 447085818 /nfs/dbraw/zinc/08/58/18/447085818.db2.gz FWFYNXBWAIBAQJ-KRWDZBQOSA-N 2 2 340.475 1.805 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2coc(C[NH3+])c2)cc1 ZINC000444174810 447089478 /nfs/dbraw/zinc/08/94/78/447089478.db2.gz HQXGSHVQUFCQTF-SFHVURJKSA-N 2 2 343.427 1.850 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCCCC[N@H+](C)C3CC3)[nH+]cn2)C1 ZINC000413350553 447157131 /nfs/dbraw/zinc/15/71/31/447157131.db2.gz WWRUGZOPIRVPQS-HUUCEWRRSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCCCC[N@@H+](C)C3CC3)[nH+]cn2)C1 ZINC000413350553 447157137 /nfs/dbraw/zinc/15/71/37/447157137.db2.gz WWRUGZOPIRVPQS-HUUCEWRRSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCCCC[N@H+](C)C3CC3)nc[nH+]2)C1 ZINC000413350553 447157141 /nfs/dbraw/zinc/15/71/41/447157141.db2.gz WWRUGZOPIRVPQS-HUUCEWRRSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCCCC[N@@H+](C)C3CC3)nc[nH+]2)C1 ZINC000413350553 447157145 /nfs/dbraw/zinc/15/71/45/447157145.db2.gz WWRUGZOPIRVPQS-HUUCEWRRSA-N 2 2 333.480 1.970 20 0 EDADLP CON(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368820127 447132509 /nfs/dbraw/zinc/13/25/09/447132509.db2.gz BLVOJSRBXSVGEJ-QGZVFWFLSA-N 2 2 346.475 1.928 20 0 EDADLP CON(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368820127 447132516 /nfs/dbraw/zinc/13/25/16/447132516.db2.gz BLVOJSRBXSVGEJ-QGZVFWFLSA-N 2 2 346.475 1.928 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000455668498 447204245 /nfs/dbraw/zinc/20/42/45/447204245.db2.gz LBWMPDASLRWNDG-UHFFFAOYSA-N 2 2 346.435 1.387 20 0 EDADLP CC[C@@H](C)[C@H](OC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376020197 447212606 /nfs/dbraw/zinc/21/26/06/447212606.db2.gz DZIGDGJIOBTOTF-PBHICJAKSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)[C@@H](C)O1 ZINC000446071207 447227939 /nfs/dbraw/zinc/22/79/39/447227939.db2.gz IPFRELLJVSBGFZ-YFHUEUNASA-N 2 2 333.476 1.903 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)[C@@H](C)O1 ZINC000446071207 447227941 /nfs/dbraw/zinc/22/79/41/447227941.db2.gz IPFRELLJVSBGFZ-YFHUEUNASA-N 2 2 333.476 1.903 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@H](O)Cn3cccn3)[C@@H](C)C2)s1 ZINC000368963551 447229297 /nfs/dbraw/zinc/22/92/97/447229297.db2.gz BRMZTKVLMURUAG-QRTARXTBSA-N 2 2 349.504 1.509 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@H](O)Cn3cccn3)[C@@H](C)C2)s1 ZINC000368963551 447229298 /nfs/dbraw/zinc/22/92/98/447229298.db2.gz BRMZTKVLMURUAG-QRTARXTBSA-N 2 2 349.504 1.509 20 0 EDADLP CN(Cc1cnn2ccccc12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377633036 447259104 /nfs/dbraw/zinc/25/91/04/447259104.db2.gz UJUGXHGDODFERG-SFHVURJKSA-N 2 2 327.476 1.935 20 0 EDADLP CN(Cc1cnn2ccccc12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377633036 447259109 /nfs/dbraw/zinc/25/91/09/447259109.db2.gz UJUGXHGDODFERG-SFHVURJKSA-N 2 2 327.476 1.935 20 0 EDADLP C[N@H+](C[C@H]1CCn2cc[nH+]c2C1)[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000377632831 447259582 /nfs/dbraw/zinc/25/95/82/447259582.db2.gz VUVMMJPCDVCTCC-HOCLYGCPSA-N 2 2 330.407 1.613 20 0 EDADLP C[N@@H+](C[C@H]1CCn2cc[nH+]c2C1)[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000377632831 447259589 /nfs/dbraw/zinc/25/95/89/447259589.db2.gz VUVMMJPCDVCTCC-HOCLYGCPSA-N 2 2 330.407 1.613 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000369015386 447264860 /nfs/dbraw/zinc/26/48/60/447264860.db2.gz IOPQYFQMYLCHOE-UHFFFAOYSA-N 2 2 325.416 1.968 20 0 EDADLP COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372778288 447282462 /nfs/dbraw/zinc/28/24/62/447282462.db2.gz BOEFFMLXEJWSGC-VQTJNVASSA-N 2 2 347.503 1.240 20 0 EDADLP COCC(C)(C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000494631320 447452941 /nfs/dbraw/zinc/45/29/41/447452941.db2.gz PNMYTWUSMUCYPL-OAHLLOKOSA-N 2 2 340.512 1.469 20 0 EDADLP COCC(C)(C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000494631320 447452945 /nfs/dbraw/zinc/45/29/45/447452945.db2.gz PNMYTWUSMUCYPL-OAHLLOKOSA-N 2 2 340.512 1.469 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000426792964 447502264 /nfs/dbraw/zinc/50/22/64/447502264.db2.gz OLSAIGBMPVNYTI-GOSISDBHSA-N 3 2 348.535 1.680 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000426792964 447502270 /nfs/dbraw/zinc/50/22/70/447502270.db2.gz OLSAIGBMPVNYTI-GOSISDBHSA-N 3 2 348.535 1.680 20 0 EDADLP CN1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000426792964 447502275 /nfs/dbraw/zinc/50/22/75/447502275.db2.gz OLSAIGBMPVNYTI-GOSISDBHSA-N 2 2 348.535 1.680 20 0 EDADLP CN1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000426792964 447502279 /nfs/dbraw/zinc/50/22/79/447502279.db2.gz OLSAIGBMPVNYTI-GOSISDBHSA-N 2 2 348.535 1.680 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000392460463 447524022 /nfs/dbraw/zinc/52/40/22/447524022.db2.gz CHXTXXMDRIKBMR-UKRRQHHQSA-N 2 2 331.416 1.613 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000392460463 447524027 /nfs/dbraw/zinc/52/40/27/447524027.db2.gz CHXTXXMDRIKBMR-UKRRQHHQSA-N 2 2 331.416 1.613 20 0 EDADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CN1C(=O)OC(C)(C)C ZINC000399094368 447562423 /nfs/dbraw/zinc/56/24/23/447562423.db2.gz UXQSONJAPLEYAH-BZUAXINKSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CN1C(=O)OC(C)(C)C ZINC000399094368 447562426 /nfs/dbraw/zinc/56/24/26/447562426.db2.gz UXQSONJAPLEYAH-BZUAXINKSA-N 2 2 340.512 1.610 20 0 EDADLP Cn1cc(-c2c[nH]cc2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000427262243 447570369 /nfs/dbraw/zinc/57/03/69/447570369.db2.gz GGVNFWHTYHUAIJ-UHFFFAOYSA-N 2 2 344.463 1.171 20 0 EDADLP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCOCC1)CCC(F)(F)F ZINC000427268170 447572060 /nfs/dbraw/zinc/57/20/60/447572060.db2.gz VUASPDHAUIPALQ-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCOCC1)CCC(F)(F)F ZINC000427268170 447572066 /nfs/dbraw/zinc/57/20/66/447572066.db2.gz VUASPDHAUIPALQ-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407308978 447614248 /nfs/dbraw/zinc/61/42/48/447614248.db2.gz DZBCJOFRMQZRGH-MOPGFXCFSA-N 2 2 343.471 1.666 20 0 EDADLP CN(C)c1nc(N(CC[NH+]2CCOCC2)Cc2ccco2)cc[nH+]1 ZINC000450941288 447626624 /nfs/dbraw/zinc/62/66/24/447626624.db2.gz OSAMJWCKNQGBBM-UHFFFAOYSA-N 2 2 331.420 1.474 20 0 EDADLP CN(C)CC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459543770 447701395 /nfs/dbraw/zinc/70/13/95/447701395.db2.gz YWXUFRMQVIKXCZ-UHFFFAOYSA-N 2 2 338.521 1.322 20 0 EDADLP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451021878 447653463 /nfs/dbraw/zinc/65/34/63/447653463.db2.gz BRORILQBAWUBBL-KDOFPFPSSA-N 2 2 349.431 1.059 20 0 EDADLP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451021878 447653468 /nfs/dbraw/zinc/65/34/68/447653468.db2.gz BRORILQBAWUBBL-KDOFPFPSSA-N 2 2 349.431 1.059 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451024598 447654487 /nfs/dbraw/zinc/65/44/87/447654487.db2.gz IPTRUMKAVCOFFE-IXDOHACOSA-N 2 2 346.475 1.464 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451024598 447654494 /nfs/dbraw/zinc/65/44/94/447654494.db2.gz IPTRUMKAVCOFFE-IXDOHACOSA-N 2 2 346.475 1.464 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000495947110 447665633 /nfs/dbraw/zinc/66/56/33/447665633.db2.gz OZZOLPWWFCILPE-IJEWVQPXSA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000495947110 447665636 /nfs/dbraw/zinc/66/56/36/447665636.db2.gz OZZOLPWWFCILPE-IJEWVQPXSA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000495947110 447665641 /nfs/dbraw/zinc/66/56/41/447665641.db2.gz OZZOLPWWFCILPE-IJEWVQPXSA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000495947110 447665649 /nfs/dbraw/zinc/66/56/49/447665649.db2.gz OZZOLPWWFCILPE-IJEWVQPXSA-N 2 2 341.496 1.819 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1C ZINC000422626061 447675035 /nfs/dbraw/zinc/67/50/35/447675035.db2.gz DFNMMJQRCDIPLO-SUNKGSAMSA-N 2 2 335.448 1.906 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1C ZINC000422626061 447675037 /nfs/dbraw/zinc/67/50/37/447675037.db2.gz DFNMMJQRCDIPLO-SUNKGSAMSA-N 2 2 335.448 1.906 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000422626309 447676346 /nfs/dbraw/zinc/67/63/46/447676346.db2.gz DRMNAOTWIRVJDE-RDBSUJKOSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000422626309 447676352 /nfs/dbraw/zinc/67/63/52/447676352.db2.gz DRMNAOTWIRVJDE-RDBSUJKOSA-N 2 2 335.448 1.948 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422638254 447683860 /nfs/dbraw/zinc/68/38/60/447683860.db2.gz QAAMJAGIISFAHP-MJBXVCDLSA-N 2 2 333.432 1.717 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422638254 447683865 /nfs/dbraw/zinc/68/38/65/447683865.db2.gz QAAMJAGIISFAHP-MJBXVCDLSA-N 2 2 333.432 1.717 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416916344 447708678 /nfs/dbraw/zinc/70/86/78/447708678.db2.gz QHIXOAHEDUUPCU-DAXOMENPSA-N 2 2 345.422 1.946 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416936392 447714676 /nfs/dbraw/zinc/71/46/76/447714676.db2.gz YBICFVPDLOWKEJ-GDBMZVCRSA-N 2 2 347.463 1.330 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000416936685 447716271 /nfs/dbraw/zinc/71/62/71/447716271.db2.gz IBTMTIOXWOLTGZ-ZBFHGGJFSA-N 2 2 331.464 1.999 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422713854 447725138 /nfs/dbraw/zinc/72/51/38/447725138.db2.gz KJGJSCFWHYFIQH-GBESFXJTSA-N 3 2 343.519 1.844 20 0 EDADLP C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000422731749 447731662 /nfs/dbraw/zinc/73/16/62/447731662.db2.gz MFMRSTCCIDAGOF-SMDDNHRTSA-N 2 2 340.265 1.909 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000417266032 447739433 /nfs/dbraw/zinc/73/94/33/447739433.db2.gz DERNDDIKQNMLET-OLZOCXBDSA-N 2 2 331.395 1.903 20 0 EDADLP CSCC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000422798217 447753540 /nfs/dbraw/zinc/75/35/40/447753540.db2.gz QDVCDLWHIUAQGI-ILXRZTDVSA-N 2 2 349.504 1.880 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)CC2 ZINC000422823148 447760659 /nfs/dbraw/zinc/76/06/59/447760659.db2.gz LHPVFUGCDVMXLJ-ZIAGYGMSSA-N 2 2 347.459 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)CC2 ZINC000422823148 447760660 /nfs/dbraw/zinc/76/06/60/447760660.db2.gz LHPVFUGCDVMXLJ-ZIAGYGMSSA-N 2 2 347.459 1.271 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000430548030 447776001 /nfs/dbraw/zinc/77/60/01/447776001.db2.gz VUOYPPCNMSRWKO-SFHVURJKSA-N 2 2 343.475 1.794 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000430548030 447776004 /nfs/dbraw/zinc/77/60/04/447776004.db2.gz VUOYPPCNMSRWKO-SFHVURJKSA-N 2 2 343.475 1.794 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000431019642 447788801 /nfs/dbraw/zinc/78/88/01/447788801.db2.gz RFJKGGHVDAVEMG-YJBOKZPZSA-N 2 2 348.491 1.085 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000431019642 447788803 /nfs/dbraw/zinc/78/88/03/447788803.db2.gz RFJKGGHVDAVEMG-YJBOKZPZSA-N 2 2 348.491 1.085 20 0 EDADLP CCC(CC)[C@H](CNc1nc(C)[nH+]c(N(C)C)n1)[NH+]1CCOCC1 ZINC000488410506 447846977 /nfs/dbraw/zinc/84/69/77/447846977.db2.gz IKKNZSDAHJJUTE-HNNXBMFYSA-N 2 2 336.484 1.795 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000522731137 447856167 /nfs/dbraw/zinc/85/61/67/447856167.db2.gz BJGNAACMPZSYRH-UHFFFAOYSA-N 2 2 334.420 1.362 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000522731137 447856170 /nfs/dbraw/zinc/85/61/70/447856170.db2.gz BJGNAACMPZSYRH-UHFFFAOYSA-N 2 2 334.420 1.362 20 0 EDADLP C[NH+](C)CCOCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000530353423 447866934 /nfs/dbraw/zinc/86/69/34/447866934.db2.gz DCVGRVPDTGJSGP-UHFFFAOYSA-N 2 2 340.493 1.154 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2OC2CCCC2)[C@H](C[NH3+])C1 ZINC000569793549 447891365 /nfs/dbraw/zinc/89/13/65/447891365.db2.gz VHYWAQLRSRNTRQ-MRXNPFEDSA-N 2 2 346.475 1.792 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccccc2OC2CCCC2)[C@H](C[NH3+])C1 ZINC000569793549 447891368 /nfs/dbraw/zinc/89/13/68/447891368.db2.gz VHYWAQLRSRNTRQ-MRXNPFEDSA-N 2 2 346.475 1.792 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C(=O)OC)oc3C)C2)CC1 ZINC000523655617 447896336 /nfs/dbraw/zinc/89/63/36/447896336.db2.gz HJHHXPPVRFDLTB-MRXNPFEDSA-N 2 2 335.448 1.586 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C(=O)OC)oc3C)C2)CC1 ZINC000523655617 447896342 /nfs/dbraw/zinc/89/63/42/447896342.db2.gz HJHHXPPVRFDLTB-MRXNPFEDSA-N 2 2 335.448 1.586 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000496782738 447910064 /nfs/dbraw/zinc/91/00/64/447910064.db2.gz WWYWLEZGHGCYMX-IJEWVQPXSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000496782738 447910071 /nfs/dbraw/zinc/91/00/71/447910071.db2.gz WWYWLEZGHGCYMX-IJEWVQPXSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000496782738 447910074 /nfs/dbraw/zinc/91/00/74/447910074.db2.gz WWYWLEZGHGCYMX-IJEWVQPXSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000496782738 447910077 /nfs/dbraw/zinc/91/00/77/447910077.db2.gz WWYWLEZGHGCYMX-IJEWVQPXSA-N 2 2 341.496 1.677 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC000569954821 447927266 /nfs/dbraw/zinc/92/72/66/447927266.db2.gz BDDUEHOFGSOMKF-ZWKOTPCHSA-N 2 2 340.427 1.808 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@H]2C1 ZINC000569954821 447927270 /nfs/dbraw/zinc/92/72/70/447927270.db2.gz BDDUEHOFGSOMKF-ZWKOTPCHSA-N 2 2 340.427 1.808 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000576135240 447982437 /nfs/dbraw/zinc/98/24/37/447982437.db2.gz YNFUCODMQNYVBQ-UKTKYZJWSA-N 2 2 344.459 1.015 20 0 EDADLP CCNc1nc(N2CC[C@H](C[N@H+](C)CC)C2)nc(NC(C)(C)C)[nH+]1 ZINC000553432694 447993592 /nfs/dbraw/zinc/99/35/92/447993592.db2.gz RIMWTCOBTLBHSR-CYBMUJFWSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(N2CC[C@H](C[N@@H+](C)CC)C2)nc(NC(C)(C)C)[nH+]1 ZINC000553432694 447993597 /nfs/dbraw/zinc/99/35/97/447993597.db2.gz RIMWTCOBTLBHSR-CYBMUJFWSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](C[N@H+](C)CC)C2)[nH+]1 ZINC000553432694 447993602 /nfs/dbraw/zinc/99/36/02/447993602.db2.gz RIMWTCOBTLBHSR-CYBMUJFWSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](C[N@@H+](C)CC)C2)[nH+]1 ZINC000553432694 447993606 /nfs/dbraw/zinc/99/36/06/447993606.db2.gz RIMWTCOBTLBHSR-CYBMUJFWSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@H](C[N@H+](C)CC)C2)n1 ZINC000553432694 447993610 /nfs/dbraw/zinc/99/36/10/447993610.db2.gz RIMWTCOBTLBHSR-CYBMUJFWSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@H](C[N@@H+](C)CC)C2)n1 ZINC000553432694 447993613 /nfs/dbraw/zinc/99/36/13/447993613.db2.gz RIMWTCOBTLBHSR-CYBMUJFWSA-N 2 2 335.500 1.714 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC([N@H+](C)CCCO)CC1 ZINC000570251867 447969458 /nfs/dbraw/zinc/96/94/58/447969458.db2.gz WASUGIYKSRELEZ-UHFFFAOYSA-N 2 2 334.464 1.954 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC([N@@H+](C)CCCO)CC1 ZINC000570251867 447969459 /nfs/dbraw/zinc/96/94/59/447969459.db2.gz WASUGIYKSRELEZ-UHFFFAOYSA-N 2 2 334.464 1.954 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccccc1CN1CCCC1=O)C1CC1 ZINC000570274085 447974694 /nfs/dbraw/zinc/97/46/94/447974694.db2.gz WIYDATATHAOGEB-SFHVURJKSA-N 2 2 331.460 1.354 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1CN1CCCC1=O)C1CC1 ZINC000570274085 447974698 /nfs/dbraw/zinc/97/46/98/447974698.db2.gz WIYDATATHAOGEB-SFHVURJKSA-N 2 2 331.460 1.354 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000576272007 448015129 /nfs/dbraw/zinc/01/51/29/448015129.db2.gz OCUQPKAGRRTVBQ-GOSISDBHSA-N 3 2 339.524 1.314 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000576272007 448015137 /nfs/dbraw/zinc/01/51/37/448015137.db2.gz OCUQPKAGRRTVBQ-GOSISDBHSA-N 3 2 339.524 1.314 20 0 EDADLP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000570795382 448065576 /nfs/dbraw/zinc/06/55/76/448065576.db2.gz RWJRRQYCTDOGGI-ROUUACIJSA-N 2 2 334.460 1.632 20 0 EDADLP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000570795382 448065580 /nfs/dbraw/zinc/06/55/80/448065580.db2.gz RWJRRQYCTDOGGI-ROUUACIJSA-N 2 2 334.460 1.632 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)C2 ZINC000526997230 448135127 /nfs/dbraw/zinc/13/51/27/448135127.db2.gz OVYXZAQOZROAHA-KGLIPLIRSA-N 2 2 334.464 1.427 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)CC2 ZINC000526997230 448135135 /nfs/dbraw/zinc/13/51/35/448135135.db2.gz OVYXZAQOZROAHA-KGLIPLIRSA-N 2 2 334.464 1.427 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)/C=C\C[NH+](C)C)c[nH+]2)C[C@@H](C)O1 ZINC000491873476 448139817 /nfs/dbraw/zinc/13/98/17/448139817.db2.gz ULCGVWCIOZVALD-JBZXTQMFSA-N 2 2 332.448 1.429 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCO[C@@H]3CC[N@H+](C)C[C@H]31)C2 ZINC000556712296 448140761 /nfs/dbraw/zinc/14/07/61/448140761.db2.gz WSSWLRDGQYHOLM-KBRIMQKVSA-N 2 2 346.475 1.570 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCO[C@@H]3CC[N@@H+](C)C[C@H]31)C2 ZINC000556712296 448140765 /nfs/dbraw/zinc/14/07/65/448140765.db2.gz WSSWLRDGQYHOLM-KBRIMQKVSA-N 2 2 346.475 1.570 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCO[C@@H]3CC[N@H+](C)C[C@H]31)CC2 ZINC000556712296 448140768 /nfs/dbraw/zinc/14/07/68/448140768.db2.gz WSSWLRDGQYHOLM-KBRIMQKVSA-N 2 2 346.475 1.570 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCO[C@@H]3CC[N@@H+](C)C[C@H]31)CC2 ZINC000556712296 448140773 /nfs/dbraw/zinc/14/07/73/448140773.db2.gz WSSWLRDGQYHOLM-KBRIMQKVSA-N 2 2 346.475 1.570 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)/C=C/C[NH+](C)C)c2cccs2)CC1 ZINC000491882282 448143369 /nfs/dbraw/zinc/14/33/69/448143369.db2.gz INHVDEKNHKQDQW-NFBGWVBBSA-N 2 2 336.505 1.271 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000576812780 448144935 /nfs/dbraw/zinc/14/49/35/448144935.db2.gz MSOFDZYFDVJDMO-ZWKOTPCHSA-N 2 2 348.491 1.975 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000576812780 448144938 /nfs/dbraw/zinc/14/49/38/448144938.db2.gz MSOFDZYFDVJDMO-ZWKOTPCHSA-N 2 2 348.491 1.975 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000576812780 448144944 /nfs/dbraw/zinc/14/49/44/448144944.db2.gz MSOFDZYFDVJDMO-ZWKOTPCHSA-N 2 2 348.491 1.975 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000576812780 448144948 /nfs/dbraw/zinc/14/49/48/448144948.db2.gz MSOFDZYFDVJDMO-ZWKOTPCHSA-N 2 2 348.491 1.975 20 0 EDADLP COC(=O)C1CC[NH+](CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000576828322 448150339 /nfs/dbraw/zinc/15/03/39/448150339.db2.gz HTMQVQXPLVOEMT-CQSZACIVSA-N 2 2 336.436 1.226 20 0 EDADLP CCc1ccc(C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000571538554 448170641 /nfs/dbraw/zinc/17/06/41/448170641.db2.gz CTWYUJMYUAKMPC-KRWDZBQOSA-N 2 2 332.492 1.811 20 0 EDADLP CCc1ccc(C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000571538554 448170646 /nfs/dbraw/zinc/17/06/46/448170646.db2.gz CTWYUJMYUAKMPC-KRWDZBQOSA-N 2 2 332.492 1.811 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531916174 448172216 /nfs/dbraw/zinc/17/22/16/448172216.db2.gz RMFQVQZTGIFAIN-CVEARBPZSA-N 2 2 347.463 1.436 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000514839392 448210948 /nfs/dbraw/zinc/21/09/48/448210948.db2.gz YAZAUKANGIHDRR-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000514839392 448210953 /nfs/dbraw/zinc/21/09/53/448210953.db2.gz YAZAUKANGIHDRR-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2csc(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000571657883 448188228 /nfs/dbraw/zinc/18/82/28/448188228.db2.gz ONXTYAIVWVLJKW-HNNXBMFYSA-N 2 2 345.472 1.594 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2csc(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000571657883 448188231 /nfs/dbraw/zinc/18/82/31/448188231.db2.gz ONXTYAIVWVLJKW-HNNXBMFYSA-N 2 2 345.472 1.594 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000571747766 448197281 /nfs/dbraw/zinc/19/72/81/448197281.db2.gz SIRKXPRHYUXEGU-LSDHHAIUSA-N 2 2 334.464 1.458 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000571747766 448197285 /nfs/dbraw/zinc/19/72/85/448197285.db2.gz SIRKXPRHYUXEGU-LSDHHAIUSA-N 2 2 334.464 1.458 20 0 EDADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000514819846 448209175 /nfs/dbraw/zinc/20/91/75/448209175.db2.gz MEXNIBJBAKEQJY-SUMWQHHRSA-N 2 2 337.489 1.643 20 0 EDADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000514819846 448209178 /nfs/dbraw/zinc/20/91/78/448209178.db2.gz MEXNIBJBAKEQJY-SUMWQHHRSA-N 2 2 337.489 1.643 20 0 EDADLP CC(C)NC(=O)NCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000571914021 448235575 /nfs/dbraw/zinc/23/55/75/448235575.db2.gz YORBBWIINCSEEJ-IAGOWNOFSA-N 2 2 339.528 1.184 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000532209516 448216232 /nfs/dbraw/zinc/21/62/32/448216232.db2.gz MVNYRWOTJWRMDD-QAPCUYQASA-N 2 2 331.460 1.731 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CC[N@H+]1C ZINC000532209516 448216235 /nfs/dbraw/zinc/21/62/35/448216235.db2.gz MVNYRWOTJWRMDD-QAPCUYQASA-N 2 2 331.460 1.731 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)cn1 ZINC000515053545 448249358 /nfs/dbraw/zinc/24/93/58/448249358.db2.gz OFSUSTWNSGKJFO-AEFFLSMTSA-N 2 2 331.464 1.079 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)cn1 ZINC000515053545 448249363 /nfs/dbraw/zinc/24/93/63/448249363.db2.gz OFSUSTWNSGKJFO-AEFFLSMTSA-N 2 2 331.464 1.079 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082913 448256648 /nfs/dbraw/zinc/25/66/48/448256648.db2.gz KXKBTAAPOFAVKB-XJKSGUPXSA-N 2 2 341.415 1.646 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591082913 448256656 /nfs/dbraw/zinc/25/66/56/448256656.db2.gz KXKBTAAPOFAVKB-XJKSGUPXSA-N 2 2 341.415 1.646 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)[C@H](C)C1 ZINC000515083055 448258528 /nfs/dbraw/zinc/25/85/28/448258528.db2.gz DJPJZUKATHTEOD-GFCCVEGCSA-N 2 2 343.431 1.373 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[NH+]2CCOCC2)c1 ZINC000591097381 448260926 /nfs/dbraw/zinc/26/09/26/448260926.db2.gz PQGXYSRCVITHJE-ZWKOTPCHSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[NH+]2CCOCC2)c1 ZINC000591097381 448260933 /nfs/dbraw/zinc/26/09/33/448260933.db2.gz PQGXYSRCVITHJE-ZWKOTPCHSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000515144713 448265652 /nfs/dbraw/zinc/26/56/52/448265652.db2.gz AIYGNXHPNUVXEU-KGLIPLIRSA-N 2 2 341.406 1.610 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577625477 448344930 /nfs/dbraw/zinc/34/49/30/448344930.db2.gz JYZHAFGPDAVBEE-GBESFXJTSA-N 2 2 343.471 1.488 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577625477 448344934 /nfs/dbraw/zinc/34/49/34/448344934.db2.gz JYZHAFGPDAVBEE-GBESFXJTSA-N 2 2 343.471 1.488 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577625477 448344939 /nfs/dbraw/zinc/34/49/39/448344939.db2.gz JYZHAFGPDAVBEE-GBESFXJTSA-N 2 2 343.471 1.488 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577625477 448344942 /nfs/dbraw/zinc/34/49/42/448344942.db2.gz JYZHAFGPDAVBEE-GBESFXJTSA-N 2 2 343.471 1.488 20 0 EDADLP COc1ccc(CN2CC[C@H]2C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000527769618 448356939 /nfs/dbraw/zinc/35/69/39/448356939.db2.gz AZOADQCEXJFHRS-INIZCTEOSA-N 2 2 343.475 1.859 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@H](C)[C@H](C)[NH+]3CCOCC3)[nH+]c12 ZINC000591345994 448332612 /nfs/dbraw/zinc/33/26/12/448332612.db2.gz VAERSGWOEKNLOC-CABCVRRESA-N 2 2 330.432 1.411 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000582954256 448387713 /nfs/dbraw/zinc/38/77/13/448387713.db2.gz LCTMSAIZHNMSDP-MRXNPFEDSA-N 2 2 331.464 1.611 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000591560371 448389859 /nfs/dbraw/zinc/38/98/59/448389859.db2.gz CLWJNBISLHZAJJ-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000591560371 448389863 /nfs/dbraw/zinc/38/98/63/448389863.db2.gz CLWJNBISLHZAJJ-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000591560371 448389868 /nfs/dbraw/zinc/38/98/68/448389868.db2.gz CLWJNBISLHZAJJ-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000591560371 448389874 /nfs/dbraw/zinc/38/98/74/448389874.db2.gz CLWJNBISLHZAJJ-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP CO[C@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000582968691 448391961 /nfs/dbraw/zinc/39/19/61/448391961.db2.gz TZEHKLJKGPPDDT-VBQJREDUSA-N 2 2 330.432 1.341 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000533370115 448395510 /nfs/dbraw/zinc/39/55/10/448395510.db2.gz CVZIAEPFCOPNBL-HNNXBMFYSA-N 2 2 342.447 1.903 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000533370115 448395513 /nfs/dbraw/zinc/39/55/13/448395513.db2.gz CVZIAEPFCOPNBL-HNNXBMFYSA-N 2 2 342.447 1.903 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000577845666 448400627 /nfs/dbraw/zinc/40/06/27/448400627.db2.gz ZDSBGZDBFNPVCN-DOTOQJQBSA-N 2 2 335.423 1.679 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000577845666 448400631 /nfs/dbraw/zinc/40/06/31/448400631.db2.gz ZDSBGZDBFNPVCN-DOTOQJQBSA-N 2 2 335.423 1.679 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN(C)CC1 ZINC000578024232 448443100 /nfs/dbraw/zinc/44/31/00/448443100.db2.gz RHQDGNVETHUMRW-HKUYNNGSSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN(C)CC1 ZINC000578024232 448443109 /nfs/dbraw/zinc/44/31/09/448443109.db2.gz RHQDGNVETHUMRW-HKUYNNGSSA-N 2 2 344.503 1.261 20 0 EDADLP COC(=O)[C@H]([C@@H](C)O)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000566425885 448465765 /nfs/dbraw/zinc/46/57/65/448465765.db2.gz IBGOEAQWSXMTHD-QAPCUYQASA-N 2 2 345.443 1.777 20 0 EDADLP COC(=O)[C@H]([C@@H](C)O)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000566425885 448465768 /nfs/dbraw/zinc/46/57/68/448465768.db2.gz IBGOEAQWSXMTHD-QAPCUYQASA-N 2 2 345.443 1.777 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1(C)C ZINC000516858086 448483191 /nfs/dbraw/zinc/48/31/91/448483191.db2.gz AQGIOGMZFIEMNE-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1(C)C ZINC000516858086 448483192 /nfs/dbraw/zinc/48/31/92/448483192.db2.gz AQGIOGMZFIEMNE-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1(C)C ZINC000516858086 448483193 /nfs/dbraw/zinc/48/31/93/448483193.db2.gz AQGIOGMZFIEMNE-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1(C)C ZINC000516858086 448483194 /nfs/dbraw/zinc/48/31/94/448483194.db2.gz AQGIOGMZFIEMNE-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000516920957 448496590 /nfs/dbraw/zinc/49/65/90/448496590.db2.gz GNGJXLYAOMKWSN-ORQFMDKSSA-N 3 2 333.480 1.386 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1CC1(C[NH+]2CCN(C)C[C@@H]2CC)COC1 ZINC000572954826 448505313 /nfs/dbraw/zinc/50/53/13/448505313.db2.gz RBBWRMDVXVILAY-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1CC1(C[NH+]2CCN(C)C[C@@H]2CC)COC1 ZINC000572954826 448505319 /nfs/dbraw/zinc/50/53/19/448505319.db2.gz RBBWRMDVXVILAY-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1CC1(C[N@@H+]2CCN(C)C[C@@H]2CC)COC1 ZINC000572954826 448505323 /nfs/dbraw/zinc/50/53/23/448505323.db2.gz RBBWRMDVXVILAY-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1CC1(C[N@H+]2CCN(C)C[C@@H]2CC)COC1 ZINC000572954826 448505326 /nfs/dbraw/zinc/50/53/26/448505326.db2.gz RBBWRMDVXVILAY-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CC[C@@H]1CN(C)CC[NH+]1CC1(CN2CC[N@@H+](C)C[C@@H]2CC)COC1 ZINC000572954826 448505331 /nfs/dbraw/zinc/50/53/31/448505331.db2.gz RBBWRMDVXVILAY-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CC[C@@H]1CN(C)CC[NH+]1CC1(CN2CC[N@H+](C)C[C@@H]2CC)COC1 ZINC000572954826 448505334 /nfs/dbraw/zinc/50/53/34/448505334.db2.gz RBBWRMDVXVILAY-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CC[C@@H]1CN(C)CC[N@H+]1CC1(CN2CC[NH+](C)C[C@@H]2CC)COC1 ZINC000572954826 448505336 /nfs/dbraw/zinc/50/53/36/448505336.db2.gz RBBWRMDVXVILAY-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CC[C@@H]1CN(C)CC[N@@H+]1CC1(CN2CC[NH+](C)C[C@@H]2CC)COC1 ZINC000572954826 448505340 /nfs/dbraw/zinc/50/53/40/448505340.db2.gz RBBWRMDVXVILAY-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000572960789 448508413 /nfs/dbraw/zinc/50/84/13/448508413.db2.gz OZVZCMWLHZLPFD-HUUCEWRRSA-N 2 2 326.412 1.002 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000572960789 448508420 /nfs/dbraw/zinc/50/84/20/448508420.db2.gz OZVZCMWLHZLPFD-HUUCEWRRSA-N 2 2 326.412 1.002 20 0 EDADLP Cc1nc(CC[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)o1 ZINC000516965304 448511175 /nfs/dbraw/zinc/51/11/75/448511175.db2.gz PFCDZXQPQOYFSD-SFHVURJKSA-N 2 2 329.444 1.843 20 0 EDADLP Cc1nc(CC[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c(C)o1 ZINC000516965304 448511178 /nfs/dbraw/zinc/51/11/78/448511178.db2.gz PFCDZXQPQOYFSD-SFHVURJKSA-N 2 2 329.444 1.843 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000578545613 448577014 /nfs/dbraw/zinc/57/70/14/448577014.db2.gz XKIVHSPSLPPEFL-ZBFHGGJFSA-N 2 2 337.439 1.865 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000578545613 448577017 /nfs/dbraw/zinc/57/70/17/448577017.db2.gz XKIVHSPSLPPEFL-ZBFHGGJFSA-N 2 2 337.439 1.865 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000517101720 448538255 /nfs/dbraw/zinc/53/82/55/448538255.db2.gz YDMKYPHGOLUXMG-BZSNNMDCSA-N 2 2 346.475 1.363 20 0 EDADLP CC(C)C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000584586733 448578621 /nfs/dbraw/zinc/57/86/21/448578621.db2.gz VIODPKOGODQQSJ-CWQOZTLDSA-N 2 2 328.497 1.640 20 0 EDADLP CC(C)C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000584586733 448578623 /nfs/dbraw/zinc/57/86/23/448578623.db2.gz VIODPKOGODQQSJ-CWQOZTLDSA-N 2 2 328.497 1.640 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000573126584 448551925 /nfs/dbraw/zinc/55/19/25/448551925.db2.gz WYAQQKLBDHZTKP-HNAYVOBHSA-N 2 2 345.443 1.597 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000573126584 448551928 /nfs/dbraw/zinc/55/19/28/448551928.db2.gz WYAQQKLBDHZTKP-HNAYVOBHSA-N 2 2 345.443 1.597 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)C1CC1 ZINC000567099681 448612739 /nfs/dbraw/zinc/61/27/39/448612739.db2.gz WHVBVQHIQDABEY-XHSDSOJGSA-N 2 2 331.464 1.997 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000584842896 448653838 /nfs/dbraw/zinc/65/38/38/448653838.db2.gz DEGUCOWVCVCRRQ-HOTGVXAUSA-N 2 2 344.463 1.518 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccc(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000573699525 448694952 /nfs/dbraw/zinc/69/49/52/448694952.db2.gz LIFUOQCRIQVUBA-NSHDSACASA-N 2 2 331.247 1.778 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(Cl)c2Cl)[C@@H](C[NH3+])C1 ZINC000573699525 448694956 /nfs/dbraw/zinc/69/49/56/448694956.db2.gz LIFUOQCRIQVUBA-NSHDSACASA-N 2 2 331.247 1.778 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000579122951 448721582 /nfs/dbraw/zinc/72/15/82/448721582.db2.gz CRKGJMMEBGUSIF-UKRRQHHQSA-N 2 2 335.448 1.174 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC ZINC000579122951 448721586 /nfs/dbraw/zinc/72/15/86/448721586.db2.gz CRKGJMMEBGUSIF-UKRRQHHQSA-N 2 2 335.448 1.174 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)n1C ZINC000519387385 448765004 /nfs/dbraw/zinc/76/50/04/448765004.db2.gz GSMRNFOCWUAHNW-AWEZNQCLSA-N 2 2 343.431 1.497 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000567684843 448738290 /nfs/dbraw/zinc/73/82/90/448738290.db2.gz PCSLDSZZTVOCTL-IVMMDQJWSA-N 2 2 334.416 1.227 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000567684843 448738294 /nfs/dbraw/zinc/73/82/94/448738294.db2.gz PCSLDSZZTVOCTL-IVMMDQJWSA-N 2 2 334.416 1.227 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOc2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000573904471 448741338 /nfs/dbraw/zinc/74/13/38/448741338.db2.gz FSNJFKHWXFLRBV-CYBMUJFWSA-N 2 2 326.828 1.003 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000573904471 448741343 /nfs/dbraw/zinc/74/13/43/448741343.db2.gz FSNJFKHWXFLRBV-CYBMUJFWSA-N 2 2 326.828 1.003 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@H](C)[NH+]3CC(C)C3)CC2)nc(C)[nH+]1 ZINC000579270191 448757949 /nfs/dbraw/zinc/75/79/49/448757949.db2.gz VKXKGSZBAVYPDX-AWEZNQCLSA-N 2 2 331.464 1.519 20 0 EDADLP C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)n1cc[nH+]c1 ZINC000579480199 448806039 /nfs/dbraw/zinc/80/60/39/448806039.db2.gz PTTOUHJHPXLPNO-INIZCTEOSA-N 2 2 342.443 1.983 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000568077384 448812561 /nfs/dbraw/zinc/81/25/61/448812561.db2.gz PRLVNHIDZBRPIX-HNNXBMFYSA-N 2 2 331.382 1.712 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ocnc2C2CC2)CC1 ZINC000519463291 448771860 /nfs/dbraw/zinc/77/18/60/448771860.db2.gz GUCSGJREDMCWIC-UHFFFAOYSA-N 2 2 327.388 1.951 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC(C)([NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000529364933 448842682 /nfs/dbraw/zinc/84/26/82/448842682.db2.gz DRFWROIVCYEBLK-UHFFFAOYSA-N 2 2 334.468 1.843 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000529365700 448842777 /nfs/dbraw/zinc/84/27/77/448842777.db2.gz HIGGZFAPPPEPDM-HUUCEWRRSA-N 2 2 346.479 1.714 20 0 EDADLP CSc1ccc(F)cc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519812548 448849003 /nfs/dbraw/zinc/84/90/03/448849003.db2.gz JSFKGZUEKOECPU-CYBMUJFWSA-N 2 2 326.441 1.332 20 0 EDADLP CSc1ccc(F)cc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519812548 448849008 /nfs/dbraw/zinc/84/90/08/448849008.db2.gz JSFKGZUEKOECPU-CYBMUJFWSA-N 2 2 326.441 1.332 20 0 EDADLP Cc1nn(C)cc1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000579796000 448876709 /nfs/dbraw/zinc/87/67/09/448876709.db2.gz CSWLXRFGLKFCHZ-UHFFFAOYSA-N 2 2 347.507 1.338 20 0 EDADLP C[NH+]1CCN(c2cc(C(=O)NC(C)(C)c3[nH]cc[nH+]3)ccn2)CC1 ZINC000579720879 448863657 /nfs/dbraw/zinc/86/36/57/448863657.db2.gz ROVGVXHNXICLIE-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000592557938 448900197 /nfs/dbraw/zinc/90/01/97/448900197.db2.gz SLYSWZIKGAHVLH-MRXNPFEDSA-N 2 2 339.528 1.138 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000592557938 448900203 /nfs/dbraw/zinc/90/02/03/448900203.db2.gz SLYSWZIKGAHVLH-MRXNPFEDSA-N 2 2 339.528 1.138 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000520561701 448908914 /nfs/dbraw/zinc/90/89/14/448908914.db2.gz UZQNDZBMAIFRAN-UHFFFAOYSA-N 2 2 346.435 1.093 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000574582595 448908953 /nfs/dbraw/zinc/90/89/53/448908953.db2.gz JPTZMNQOEHQOBR-DNVCBOLYSA-N 2 2 342.443 1.342 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000574582595 448908961 /nfs/dbraw/zinc/90/89/61/448908961.db2.gz JPTZMNQOEHQOBR-DNVCBOLYSA-N 2 2 342.443 1.342 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000574582595 448908966 /nfs/dbraw/zinc/90/89/66/448908966.db2.gz JPTZMNQOEHQOBR-DNVCBOLYSA-N 2 2 342.443 1.342 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000574582595 448908969 /nfs/dbraw/zinc/90/89/69/448908969.db2.gz JPTZMNQOEHQOBR-DNVCBOLYSA-N 2 2 342.443 1.342 20 0 EDADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568749947 448913420 /nfs/dbraw/zinc/91/34/20/448913420.db2.gz OQUGUKDRVUJORP-QAPCUYQASA-N 2 2 334.464 2.556 20 0 EDADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000568749947 448913423 /nfs/dbraw/zinc/91/34/23/448913423.db2.gz OQUGUKDRVUJORP-QAPCUYQASA-N 2 2 334.464 2.556 20 0 EDADLP CNC(=O)NC[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000529640308 448913616 /nfs/dbraw/zinc/91/36/16/448913616.db2.gz CAIVJFUJZXBIKC-CYBMUJFWSA-N 2 2 335.433 1.064 20 0 EDADLP CNC(=O)NC[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000529640308 448913617 /nfs/dbraw/zinc/91/36/17/448913617.db2.gz CAIVJFUJZXBIKC-CYBMUJFWSA-N 2 2 335.433 1.064 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000588687899 448914044 /nfs/dbraw/zinc/91/40/44/448914044.db2.gz GZYSIKBUZWAAOK-ZWKOTPCHSA-N 2 2 342.439 1.909 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000588687899 448914046 /nfs/dbraw/zinc/91/40/46/448914046.db2.gz GZYSIKBUZWAAOK-ZWKOTPCHSA-N 2 2 342.439 1.909 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)CC(C)(C)C ZINC000588938505 448952390 /nfs/dbraw/zinc/95/23/90/448952390.db2.gz HFSRDMHKCNJLIE-GOSISDBHSA-N 2 2 347.503 1.982 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)CC(C)(C)C ZINC000588938505 448952394 /nfs/dbraw/zinc/95/23/94/448952394.db2.gz HFSRDMHKCNJLIE-GOSISDBHSA-N 2 2 347.503 1.982 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)CC(C)(C)C ZINC000588938505 448952399 /nfs/dbraw/zinc/95/23/99/448952399.db2.gz HFSRDMHKCNJLIE-GOSISDBHSA-N 2 2 347.503 1.982 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)CC(C)(C)C ZINC000588938505 448952404 /nfs/dbraw/zinc/95/24/04/448952404.db2.gz HFSRDMHKCNJLIE-GOSISDBHSA-N 2 2 347.503 1.982 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1-n1cccn1 ZINC000521216855 448963179 /nfs/dbraw/zinc/96/31/79/448963179.db2.gz MRDWGSNVJHWAFJ-CABCVRRESA-N 2 2 342.447 1.218 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1-n1cccn1 ZINC000521216855 448963183 /nfs/dbraw/zinc/96/31/83/448963183.db2.gz MRDWGSNVJHWAFJ-CABCVRRESA-N 2 2 342.447 1.218 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161880 448978849 /nfs/dbraw/zinc/97/88/49/448978849.db2.gz GCYFJFZDWYXOQY-CHWSQXEVSA-N 2 2 338.477 1.394 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161880 448978857 /nfs/dbraw/zinc/97/88/57/448978857.db2.gz GCYFJFZDWYXOQY-CHWSQXEVSA-N 2 2 338.477 1.394 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161880 448978861 /nfs/dbraw/zinc/97/88/61/448978861.db2.gz GCYFJFZDWYXOQY-CHWSQXEVSA-N 2 2 338.477 1.394 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161880 448978867 /nfs/dbraw/zinc/97/88/67/448978867.db2.gz GCYFJFZDWYXOQY-CHWSQXEVSA-N 2 2 338.477 1.394 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CCc3c[nH+]cn3C2)nc(C(C)C)[nH+]1 ZINC000529846509 448984746 /nfs/dbraw/zinc/98/47/46/448984746.db2.gz VHKPKCRULKSALU-AWEZNQCLSA-N 2 2 342.447 1.896 20 0 EDADLP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccn1 ZINC000520837603 448937089 /nfs/dbraw/zinc/93/70/89/448937089.db2.gz AZFLAFFVKYNBCQ-LNRIEFBSSA-N 2 2 346.475 1.824 20 0 EDADLP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)ccn1 ZINC000520837603 448937094 /nfs/dbraw/zinc/93/70/94/448937094.db2.gz AZFLAFFVKYNBCQ-LNRIEFBSSA-N 2 2 346.475 1.824 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000568974082 448946141 /nfs/dbraw/zinc/94/61/41/448946141.db2.gz FBPUFNGSRMYXSN-QGZVFWFLSA-N 2 2 327.432 1.730 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000582058229 448999803 /nfs/dbraw/zinc/99/98/03/448999803.db2.gz TYHPEDMWSYKGAZ-VDGAXYAQSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000582058229 448999813 /nfs/dbraw/zinc/99/98/13/448999813.db2.gz TYHPEDMWSYKGAZ-VDGAXYAQSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582058229 448999818 /nfs/dbraw/zinc/99/98/18/448999818.db2.gz TYHPEDMWSYKGAZ-VDGAXYAQSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582058229 448999824 /nfs/dbraw/zinc/99/98/24/448999824.db2.gz TYHPEDMWSYKGAZ-VDGAXYAQSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000575049150 449022272 /nfs/dbraw/zinc/02/22/72/449022272.db2.gz TYVRVGOQKDEFON-KBPBESRZSA-N 2 2 343.431 1.768 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000521997320 449037697 /nfs/dbraw/zinc/03/76/97/449037697.db2.gz HCYDBRZVXJBATH-ZDUSSCGKSA-N 2 2 340.518 1.273 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)nc[nH+]1 ZINC000569570311 449045471 /nfs/dbraw/zinc/04/54/71/449045471.db2.gz SZRBXRPWJCSVIF-WBVHZDCISA-N 2 2 341.459 1.632 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)nc[nH+]1 ZINC000569570311 449045480 /nfs/dbraw/zinc/04/54/80/449045480.db2.gz SZRBXRPWJCSVIF-WBVHZDCISA-N 2 2 341.459 1.632 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)CCO1 ZINC000575146434 449049128 /nfs/dbraw/zinc/04/91/28/449049128.db2.gz AMJCQAYETWPWPR-QGZVFWFLSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)CCO1 ZINC000575146434 449049132 /nfs/dbraw/zinc/04/91/32/449049132.db2.gz AMJCQAYETWPWPR-QGZVFWFLSA-N 2 2 338.496 1.413 20 0 EDADLP COc1ccc(COCC[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000604387411 449221101 /nfs/dbraw/zinc/22/11/01/449221101.db2.gz CUCCPCIACAKZHV-UHFFFAOYSA-N 2 2 336.476 1.990 20 0 EDADLP COc1ccc(COCC[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000604387411 449221108 /nfs/dbraw/zinc/22/11/08/449221108.db2.gz CUCCPCIACAKZHV-UHFFFAOYSA-N 2 2 336.476 1.990 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000593832061 449222664 /nfs/dbraw/zinc/22/26/64/449222664.db2.gz FXHASYQJUIQJTC-CQSZACIVSA-N 2 2 326.404 1.363 20 0 EDADLP CCc1cccc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602199001 449427770 /nfs/dbraw/zinc/42/77/70/449427770.db2.gz CLAIKMLWZZBBBX-QGZVFWFLSA-N 2 2 345.487 1.913 20 0 EDADLP CCc1cccc(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602199001 449427776 /nfs/dbraw/zinc/42/77/76/449427776.db2.gz CLAIKMLWZZBBBX-QGZVFWFLSA-N 2 2 345.487 1.913 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614089566 449451935 /nfs/dbraw/zinc/45/19/35/449451935.db2.gz JOCZLGOLQPUFIK-HOCLYGCPSA-N 2 2 336.411 1.529 20 0 EDADLP CS[C@H]1CCC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000596319691 449473380 /nfs/dbraw/zinc/47/33/80/449473380.db2.gz ZQTNTNUVEPMJPI-GJZGRUSLSA-N 2 2 330.542 1.843 20 0 EDADLP CS[C@H]1CCC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000596319691 449473386 /nfs/dbraw/zinc/47/33/86/449473386.db2.gz ZQTNTNUVEPMJPI-GJZGRUSLSA-N 2 2 330.542 1.843 20 0 EDADLP Cc1cc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000606499577 449479445 /nfs/dbraw/zinc/47/94/45/449479445.db2.gz BJBYVOIXVZZBMZ-UHFFFAOYSA-N 2 2 334.468 1.076 20 0 EDADLP Cc1cc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000606499577 449479449 /nfs/dbraw/zinc/47/94/49/449479449.db2.gz BJBYVOIXVZZBMZ-UHFFFAOYSA-N 2 2 334.468 1.076 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000600965276 449619020 /nfs/dbraw/zinc/61/90/20/449619020.db2.gz IXWMSQCFTLCEPW-WBVHZDCISA-N 2 2 348.466 1.547 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000600965276 449619027 /nfs/dbraw/zinc/61/90/27/449619027.db2.gz IXWMSQCFTLCEPW-WBVHZDCISA-N 2 2 348.466 1.547 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1C ZINC000602479771 449624185 /nfs/dbraw/zinc/62/41/85/449624185.db2.gz BWKZVCVKEWAOPN-DOTOQJQBSA-N 2 2 348.491 1.270 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1C ZINC000602479771 449624188 /nfs/dbraw/zinc/62/41/88/449624188.db2.gz BWKZVCVKEWAOPN-DOTOQJQBSA-N 2 2 348.491 1.270 20 0 EDADLP COC(=O)c1[nH]c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000602480669 449624234 /nfs/dbraw/zinc/62/42/34/449624234.db2.gz IIHKYRMNDUELQW-NVXWUHKLSA-N 2 2 348.491 1.568 20 0 EDADLP COC(=O)c1[nH]c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000602480669 449624236 /nfs/dbraw/zinc/62/42/36/449624236.db2.gz IIHKYRMNDUELQW-NVXWUHKLSA-N 2 2 348.491 1.568 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000617504612 449649155 /nfs/dbraw/zinc/64/91/55/449649155.db2.gz BRZWPYSOXKWBTA-WMZOPIPTSA-N 3 2 334.508 1.678 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000617504612 449649157 /nfs/dbraw/zinc/64/91/57/449649157.db2.gz BRZWPYSOXKWBTA-WMZOPIPTSA-N 3 2 334.508 1.678 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000614612674 449709918 /nfs/dbraw/zinc/70/99/18/449709918.db2.gz YDWYEDRRQUTDIC-KSSFIOAISA-N 2 2 342.443 1.942 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000614612674 449709926 /nfs/dbraw/zinc/70/99/26/449709926.db2.gz YDWYEDRRQUTDIC-KSSFIOAISA-N 2 2 342.443 1.942 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c[nH+]1 ZINC000608009355 449722205 /nfs/dbraw/zinc/72/22/05/449722205.db2.gz OWEYFEUJFDMQHR-QGZVFWFLSA-N 2 2 339.443 1.823 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c[nH+]1 ZINC000608009355 449722212 /nfs/dbraw/zinc/72/22/12/449722212.db2.gz OWEYFEUJFDMQHR-QGZVFWFLSA-N 2 2 339.443 1.823 20 0 EDADLP CCOC(=O)CCc1cc(NCc2ccc3c[nH+]cn3c2)nc(C)[nH+]1 ZINC000601174666 449733061 /nfs/dbraw/zinc/73/30/61/449733061.db2.gz ZEOWQGDLKWUUOK-UHFFFAOYSA-N 2 2 339.399 2.541 20 0 EDADLP CN(C(=O)NCCc1cn2ccccc2[nH+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601230608 449764058 /nfs/dbraw/zinc/76/40/58/449764058.db2.gz IEOQFBODGYFFBI-MRXNPFEDSA-N 2 2 327.432 1.755 20 0 EDADLP CN(C(=O)NCCc1cn2ccccc2[nH+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000601230608 449764066 /nfs/dbraw/zinc/76/40/66/449764066.db2.gz IEOQFBODGYFFBI-MRXNPFEDSA-N 2 2 327.432 1.755 20 0 EDADLP CCCC(=O)N1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766750 449829255 /nfs/dbraw/zinc/82/92/55/449829255.db2.gz UGSZLROXOKZOOG-MRXNPFEDSA-N 2 2 340.512 1.167 20 0 EDADLP CCCC(=O)N1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766750 449829260 /nfs/dbraw/zinc/82/92/60/449829260.db2.gz UGSZLROXOKZOOG-MRXNPFEDSA-N 2 2 340.512 1.167 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC(=O)NCc1ccccc1 ZINC000601334718 449843096 /nfs/dbraw/zinc/84/30/96/449843096.db2.gz MTNUATKJEPKBLT-IAGOWNOFSA-N 2 2 344.459 1.476 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC(=O)NCc1ccccc1 ZINC000601334718 449843099 /nfs/dbraw/zinc/84/30/99/449843099.db2.gz MTNUATKJEPKBLT-IAGOWNOFSA-N 2 2 344.459 1.476 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000608615546 449887503 /nfs/dbraw/zinc/88/75/03/449887503.db2.gz URPGENKRQOMLAI-MRXNPFEDSA-N 2 2 331.460 1.590 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000599322772 449891965 /nfs/dbraw/zinc/89/19/65/449891965.db2.gz KMKDXRSBSPOYNN-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000599322772 449891971 /nfs/dbraw/zinc/89/19/71/449891971.db2.gz KMKDXRSBSPOYNN-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000608693754 449912167 /nfs/dbraw/zinc/91/21/67/449912167.db2.gz XDQPREWHLZYUAE-WBVHZDCISA-N 2 2 338.496 1.223 20 0 EDADLP COC(=O)CCN1CC[C@@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1=O ZINC000602955898 449956604 /nfs/dbraw/zinc/95/66/04/449956604.db2.gz LZYOWYBNSOPYKC-OAHLLOKOSA-N 2 2 337.464 1.101 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617975445 449958234 /nfs/dbraw/zinc/95/82/34/449958234.db2.gz STUARNZDQLVARB-UHFFFAOYSA-N 2 2 327.432 1.684 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617975445 449958235 /nfs/dbraw/zinc/95/82/35/449958235.db2.gz STUARNZDQLVARB-UHFFFAOYSA-N 2 2 327.432 1.684 20 0 EDADLP CN(C(=O)c1cccc2[nH]ncc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477727 450000406 /nfs/dbraw/zinc/00/04/06/450000406.db2.gz UBYJESYBUSKQGA-OAHLLOKOSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1cccc2[nH]ncc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477727 450000410 /nfs/dbraw/zinc/00/04/10/450000410.db2.gz UBYJESYBUSKQGA-OAHLLOKOSA-N 2 2 341.459 1.803 20 0 EDADLP CC(=O)c1[nH]c(CC[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nc1C ZINC000595341333 450054602 /nfs/dbraw/zinc/05/46/02/450054602.db2.gz VTFQHJYBNOJAON-QGZVFWFLSA-N 2 2 347.507 1.564 20 0 EDADLP CC(=O)c1[nH]c(CC[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nc1C ZINC000595341333 450054605 /nfs/dbraw/zinc/05/46/05/450054605.db2.gz VTFQHJYBNOJAON-QGZVFWFLSA-N 2 2 347.507 1.564 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615557885 450146507 /nfs/dbraw/zinc/14/65/07/450146507.db2.gz LDDFMAVZYDOIRQ-MRXNPFEDSA-N 2 2 332.448 1.085 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618353849 450169957 /nfs/dbraw/zinc/16/99/57/450169957.db2.gz OXDXNZPJSFFQIG-QGZVFWFLSA-N 2 2 326.444 1.738 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618353849 450169960 /nfs/dbraw/zinc/16/99/60/450169960.db2.gz OXDXNZPJSFFQIG-QGZVFWFLSA-N 2 2 326.444 1.738 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC000618354140 450170293 /nfs/dbraw/zinc/17/02/93/450170293.db2.gz VGJUTQSMPJCVLW-RBUKOAKNSA-N 2 2 345.487 1.483 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC000618354140 450170296 /nfs/dbraw/zinc/17/02/96/450170296.db2.gz VGJUTQSMPJCVLW-RBUKOAKNSA-N 2 2 345.487 1.483 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354140 450170302 /nfs/dbraw/zinc/17/03/02/450170302.db2.gz VGJUTQSMPJCVLW-RBUKOAKNSA-N 2 2 345.487 1.483 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354140 450170306 /nfs/dbraw/zinc/17/03/06/450170306.db2.gz VGJUTQSMPJCVLW-RBUKOAKNSA-N 2 2 345.487 1.483 20 0 EDADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000616157911 450338741 /nfs/dbraw/zinc/33/87/41/450338741.db2.gz VPYJUHXUUYZMIQ-RDJZCZTQSA-N 2 2 342.443 1.457 20 0 EDADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000616157911 450338745 /nfs/dbraw/zinc/33/87/45/450338745.db2.gz VPYJUHXUUYZMIQ-RDJZCZTQSA-N 2 2 342.443 1.457 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619883858 450352369 /nfs/dbraw/zinc/35/23/69/450352369.db2.gz ZHACSNVXXCRVGS-UHFFFAOYSA-N 2 2 332.448 1.332 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000620410787 450482968 /nfs/dbraw/zinc/48/29/68/450482968.db2.gz KYPAMGWUIREJRF-UHFFFAOYSA-N 2 2 329.404 1.211 20 0 EDADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[N@H+](C)C(C)C)cc2)CC1 ZINC000623370791 450508087 /nfs/dbraw/zinc/50/80/87/450508087.db2.gz IVABMBMDMKOHEC-UHFFFAOYSA-N 2 2 346.475 1.743 20 0 EDADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C[N@@H+](C)C(C)C)cc2)CC1 ZINC000623370791 450508092 /nfs/dbraw/zinc/50/80/92/450508092.db2.gz IVABMBMDMKOHEC-UHFFFAOYSA-N 2 2 346.475 1.743 20 0 EDADLP CCC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000623638770 450557571 /nfs/dbraw/zinc/55/75/71/450557571.db2.gz RJNOSJMSOYPNBD-WBVHZDCISA-N 2 2 340.512 1.659 20 0 EDADLP CCC[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000623638770 450557572 /nfs/dbraw/zinc/55/75/72/450557572.db2.gz RJNOSJMSOYPNBD-WBVHZDCISA-N 2 2 340.512 1.659 20 0 EDADLP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000620907209 450559052 /nfs/dbraw/zinc/55/90/52/450559052.db2.gz IBHZRXDGGBZJSO-GJZGRUSLSA-N 2 2 346.475 1.616 20 0 EDADLP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000620907209 450559053 /nfs/dbraw/zinc/55/90/53/450559053.db2.gz IBHZRXDGGBZJSO-GJZGRUSLSA-N 2 2 346.475 1.616 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632986384 450587646 /nfs/dbraw/zinc/58/76/46/450587646.db2.gz WIKJKJNOKCZTQJ-INIZCTEOSA-N 2 2 348.495 1.077 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000632986384 450587648 /nfs/dbraw/zinc/58/76/48/450587648.db2.gz WIKJKJNOKCZTQJ-INIZCTEOSA-N 2 2 348.495 1.077 20 0 EDADLP O[C@H]1CCC[C@H]1[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623936970 450642431 /nfs/dbraw/zinc/64/24/31/450642431.db2.gz QKUQSDBDLLKNKV-AEFFLSMTSA-N 2 2 337.427 1.918 20 0 EDADLP COc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000631580364 450664514 /nfs/dbraw/zinc/66/45/14/450664514.db2.gz OZBXDWHZRFQKFP-GOSISDBHSA-N 2 2 331.460 1.825 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633082466 450668584 /nfs/dbraw/zinc/66/85/84/450668584.db2.gz PZOBIWPWEFFNHJ-OAHLLOKOSA-N 2 2 349.504 1.528 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633082466 450668589 /nfs/dbraw/zinc/66/85/89/450668589.db2.gz PZOBIWPWEFFNHJ-OAHLLOKOSA-N 2 2 349.504 1.528 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CCCc3ncccc32)C1=O ZINC000631617182 450679624 /nfs/dbraw/zinc/67/96/24/450679624.db2.gz MBHOVNLNNKTQHN-DLBZAZTESA-N 2 2 339.443 1.973 20 0 EDADLP Nc1nc(N)[nH+]c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000624041919 450682314 /nfs/dbraw/zinc/68/23/14/450682314.db2.gz MOODHGHFHZHOBB-LSDHHAIUSA-N 2 2 339.447 1.188 20 0 EDADLP Nc1nc(N)[nH+]c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000624041919 450682320 /nfs/dbraw/zinc/68/23/20/450682320.db2.gz MOODHGHFHZHOBB-LSDHHAIUSA-N 2 2 339.447 1.188 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000624090036 450703006 /nfs/dbraw/zinc/70/30/06/450703006.db2.gz GWLOVBHBSFKHGI-QWHCGFSZSA-N 2 2 349.389 1.033 20 0 EDADLP CC(C)[N@H+]1CC[C@H](Nc2nc(N)[nH+]c(N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000624090036 450703012 /nfs/dbraw/zinc/70/30/12/450703012.db2.gz GWLOVBHBSFKHGI-QWHCGFSZSA-N 2 2 349.389 1.033 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1)[C@H]1CCC[NH2+]1 ZINC000629516435 450723450 /nfs/dbraw/zinc/72/34/50/450723450.db2.gz FULGZXQNCFFVNB-DZGCQCFKSA-N 2 2 347.463 1.417 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1)[C@H]1CCC[NH2+]1 ZINC000629516435 450723458 /nfs/dbraw/zinc/72/34/58/450723458.db2.gz FULGZXQNCFFVNB-DZGCQCFKSA-N 2 2 347.463 1.417 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000631724969 450734763 /nfs/dbraw/zinc/73/47/63/450734763.db2.gz HVTNWPGIZZGADB-UHFFFAOYSA-N 2 2 336.461 1.303 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)n1 ZINC000629653497 450772327 /nfs/dbraw/zinc/77/23/27/450772327.db2.gz OWMRXBORRFFDIO-UHFFFAOYSA-N 2 2 342.321 1.872 20 0 EDADLP CCOc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OCC ZINC000629652602 450772611 /nfs/dbraw/zinc/77/26/11/450772611.db2.gz JLHSKLILDFUFCS-UHFFFAOYSA-N 2 2 332.404 1.728 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593702 450753670 /nfs/dbraw/zinc/75/36/70/450753670.db2.gz INHOSFNCJQQTHQ-FFZOFVMBSA-N 2 2 329.488 1.974 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593702 450753673 /nfs/dbraw/zinc/75/36/73/450753673.db2.gz INHOSFNCJQQTHQ-FFZOFVMBSA-N 2 2 329.488 1.974 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629596056 450755255 /nfs/dbraw/zinc/75/52/55/450755255.db2.gz QXACEIZAIVOXDM-BGYRXZFFSA-N 2 2 345.487 1.812 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629596056 450755261 /nfs/dbraw/zinc/75/52/61/450755261.db2.gz QXACEIZAIVOXDM-BGYRXZFFSA-N 2 2 345.487 1.812 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635240117 450774924 /nfs/dbraw/zinc/77/49/24/450774924.db2.gz LMGNSLPNDGDRBF-KRWDZBQOSA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635240117 450774931 /nfs/dbraw/zinc/77/49/31/450774931.db2.gz LMGNSLPNDGDRBF-KRWDZBQOSA-N 2 2 344.459 1.551 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000621642076 450807217 /nfs/dbraw/zinc/80/72/17/450807217.db2.gz CTXZMMZBLAHQJI-RDJZCZTQSA-N 2 2 341.521 1.090 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3COCC[N@@H+]3C)ccc21 ZINC000626579668 450809655 /nfs/dbraw/zinc/80/96/55/450809655.db2.gz GCDIDJHOFSHQSN-DOTOQJQBSA-N 2 2 332.448 1.688 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3COCC[N@H+]3C)ccc21 ZINC000626579668 450809659 /nfs/dbraw/zinc/80/96/59/450809659.db2.gz GCDIDJHOFSHQSN-DOTOQJQBSA-N 2 2 332.448 1.688 20 0 EDADLP Cc1ccc([C@H](CNS(=O)(=O)CC2([NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000631813013 450792297 /nfs/dbraw/zinc/79/22/97/450792297.db2.gz PQKOHCOFUFBFKV-INIZCTEOSA-N 2 2 339.505 1.611 20 0 EDADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624333900 450797738 /nfs/dbraw/zinc/79/77/38/450797738.db2.gz YDIUEJSGQQAMRY-GUYCJALGSA-N 2 2 332.448 1.688 20 0 EDADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624333900 450797745 /nfs/dbraw/zinc/79/77/45/450797745.db2.gz YDIUEJSGQQAMRY-GUYCJALGSA-N 2 2 332.448 1.688 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631885616 450846006 /nfs/dbraw/zinc/84/60/06/450846006.db2.gz DFYZFWBVFOAMOR-PBHICJAKSA-N 2 2 330.432 1.657 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631885616 450846009 /nfs/dbraw/zinc/84/60/09/450846009.db2.gz DFYZFWBVFOAMOR-PBHICJAKSA-N 2 2 330.432 1.657 20 0 EDADLP CCOc1cncc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000621718430 450848632 /nfs/dbraw/zinc/84/86/32/450848632.db2.gz HQYGBLAQZVXTOF-QFBILLFUSA-N 2 2 332.492 1.938 20 0 EDADLP CCOc1cncc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000621718430 450848638 /nfs/dbraw/zinc/84/86/38/450848638.db2.gz HQYGBLAQZVXTOF-QFBILLFUSA-N 2 2 332.492 1.938 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887102 450849243 /nfs/dbraw/zinc/84/92/43/450849243.db2.gz NVWLZKFVFAPBCC-YQQAZPJKSA-N 2 2 331.460 1.946 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887102 450849245 /nfs/dbraw/zinc/84/92/45/450849245.db2.gz NVWLZKFVFAPBCC-YQQAZPJKSA-N 2 2 331.460 1.946 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)c2cc(F)ccc2C[NH2+]1 ZINC000631942900 450900424 /nfs/dbraw/zinc/90/04/24/450900424.db2.gz IRKTVROYKDWNKL-GFCCVEGCSA-N 2 2 341.452 1.548 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000631935460 450893366 /nfs/dbraw/zinc/89/33/66/450893366.db2.gz IHPZSWVTGGQOFF-HNNXBMFYSA-N 2 2 345.896 1.568 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000631987692 450944986 /nfs/dbraw/zinc/94/49/86/450944986.db2.gz LZERNIUYSUFLMP-QGZVFWFLSA-N 2 2 342.443 1.330 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633619809 450947021 /nfs/dbraw/zinc/94/70/21/450947021.db2.gz XCRSNMVJXQOJCB-UHFFFAOYSA-N 3 2 343.475 1.415 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633619809 450947023 /nfs/dbraw/zinc/94/70/23/450947023.db2.gz XCRSNMVJXQOJCB-UHFFFAOYSA-N 3 2 343.475 1.415 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(-n2ccnc2)cc1 ZINC000633619809 450947028 /nfs/dbraw/zinc/94/70/28/450947028.db2.gz XCRSNMVJXQOJCB-UHFFFAOYSA-N 2 2 343.475 1.415 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(-n2ccnc2)cc1 ZINC000633619809 450947031 /nfs/dbraw/zinc/94/70/31/450947031.db2.gz XCRSNMVJXQOJCB-UHFFFAOYSA-N 2 2 343.475 1.415 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000635467658 450967736 /nfs/dbraw/zinc/96/77/36/450967736.db2.gz VIZIIUHJFCTVPT-UHFFFAOYSA-N 2 2 333.476 1.388 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000635467658 450967739 /nfs/dbraw/zinc/96/77/39/450967739.db2.gz VIZIIUHJFCTVPT-UHFFFAOYSA-N 2 2 333.476 1.388 20 0 EDADLP C[NH+](CCc1ccccc1)CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000635467658 450967745 /nfs/dbraw/zinc/96/77/45/450967745.db2.gz VIZIIUHJFCTVPT-UHFFFAOYSA-N 2 2 333.476 1.388 20 0 EDADLP C[NH+](CCc1ccccc1)CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000635467658 450967750 /nfs/dbraw/zinc/96/77/50/450967750.db2.gz VIZIIUHJFCTVPT-UHFFFAOYSA-N 2 2 333.476 1.388 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000624733507 450969242 /nfs/dbraw/zinc/96/92/42/450969242.db2.gz KMVVWVFDBNUNPP-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000624733507 450969249 /nfs/dbraw/zinc/96/92/49/450969249.db2.gz KMVVWVFDBNUNPP-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[NH2+]1 ZINC000626887824 450985230 /nfs/dbraw/zinc/98/52/30/450985230.db2.gz OIJIRYFQKJNLHD-TZMCWYRMSA-N 2 2 327.388 1.068 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000626950136 451029095 /nfs/dbraw/zinc/02/90/95/451029095.db2.gz VFPNUDRWKCUXGQ-UHFFFAOYSA-N 2 2 349.410 1.389 20 0 EDADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635538746 451034233 /nfs/dbraw/zinc/03/42/33/451034233.db2.gz ORSBMMHZAINZLP-AWEZNQCLSA-N 2 2 326.400 1.792 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635538746 451034237 /nfs/dbraw/zinc/03/42/37/451034237.db2.gz ORSBMMHZAINZLP-AWEZNQCLSA-N 2 2 326.400 1.792 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635556445 451053894 /nfs/dbraw/zinc/05/38/94/451053894.db2.gz QFWKEKVWGCSTCO-IRXDYDNUSA-N 2 2 335.496 1.613 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+](C)CC(C)(C)C ZINC000635559890 451057569 /nfs/dbraw/zinc/05/75/69/451057569.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 3 2 326.529 1.449 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+](C)CC(C)(C)C ZINC000635559890 451057570 /nfs/dbraw/zinc/05/75/70/451057570.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 3 2 326.529 1.449 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC000635559890 451057573 /nfs/dbraw/zinc/05/75/73/451057573.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 3 2 326.529 1.449 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635559890 451057577 /nfs/dbraw/zinc/05/75/77/451057577.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 3 2 326.529 1.449 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632184153 451098376 /nfs/dbraw/zinc/09/83/76/451098376.db2.gz OREDZWWISFOIIU-OAHLLOKOSA-N 2 2 339.505 1.521 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632184153 451098381 /nfs/dbraw/zinc/09/83/81/451098381.db2.gz OREDZWWISFOIIU-OAHLLOKOSA-N 2 2 339.505 1.521 20 0 EDADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635588728 451086241 /nfs/dbraw/zinc/08/62/41/451086241.db2.gz IEFSQDVBBGQMIC-IEBWSBKVSA-N 2 2 340.427 1.565 20 0 EDADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635588728 451086244 /nfs/dbraw/zinc/08/62/44/451086244.db2.gz IEFSQDVBBGQMIC-IEBWSBKVSA-N 2 2 340.427 1.565 20 0 EDADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635588728 451086249 /nfs/dbraw/zinc/08/62/49/451086249.db2.gz IEFSQDVBBGQMIC-IEBWSBKVSA-N 2 2 340.427 1.565 20 0 EDADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635588728 451086254 /nfs/dbraw/zinc/08/62/54/451086254.db2.gz IEFSQDVBBGQMIC-IEBWSBKVSA-N 2 2 340.427 1.565 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000635627896 451117134 /nfs/dbraw/zinc/11/71/34/451117134.db2.gz VLYSMDYHJVGHOS-AWEZNQCLSA-N 2 2 328.416 1.992 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000635627896 451117137 /nfs/dbraw/zinc/11/71/37/451117137.db2.gz VLYSMDYHJVGHOS-AWEZNQCLSA-N 2 2 328.416 1.992 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000627088280 451119582 /nfs/dbraw/zinc/11/95/82/451119582.db2.gz PJEUGUYLHHLOTN-TZMCWYRMSA-N 2 2 334.468 1.618 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)nc(C(C)C)[nH+]1 ZINC000627090359 451120660 /nfs/dbraw/zinc/12/06/60/451120660.db2.gz UPVKUVKIODXVJF-HNNXBMFYSA-N 2 2 348.495 2.137 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H](CC[NH3+])C(F)F)nc(C(C)C)[nH+]1 ZINC000627097793 451122921 /nfs/dbraw/zinc/12/29/21/451122921.db2.gz MBMLLSQEACWYPR-LLVKDONJSA-N 2 2 344.410 1.602 20 0 EDADLP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627130251 451140679 /nfs/dbraw/zinc/14/06/79/451140679.db2.gz OTRXNAQAWLMCIP-IRXDYDNUSA-N 3 2 349.523 1.081 20 0 EDADLP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627130251 451140682 /nfs/dbraw/zinc/14/06/82/451140682.db2.gz OTRXNAQAWLMCIP-IRXDYDNUSA-N 3 2 349.523 1.081 20 0 EDADLP C[C@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[N@@H+]1C1CC1 ZINC000635665668 451150942 /nfs/dbraw/zinc/15/09/42/451150942.db2.gz YZXUOJSUAWDSBR-STQMWFEESA-N 2 2 326.400 1.933 20 0 EDADLP C[C@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[N@H+]1C1CC1 ZINC000635665668 451150947 /nfs/dbraw/zinc/15/09/47/451150947.db2.gz YZXUOJSUAWDSBR-STQMWFEESA-N 2 2 326.400 1.933 20 0 EDADLP C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000635680318 451165422 /nfs/dbraw/zinc/16/54/22/451165422.db2.gz CFNJUKBIOPUYTC-CVEARBPZSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)cc2[nH+]1 ZINC000635693599 451176989 /nfs/dbraw/zinc/17/69/89/451176989.db2.gz JEKXXNKJMXIMIR-KRWDZBQOSA-N 2 2 342.443 1.970 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635734532 451205914 /nfs/dbraw/zinc/20/59/14/451205914.db2.gz ONBYVTLZTCTBHU-BPQIPLTHSA-N 3 2 338.540 1.732 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635734532 451205918 /nfs/dbraw/zinc/20/59/18/451205918.db2.gz ONBYVTLZTCTBHU-BPQIPLTHSA-N 3 2 338.540 1.732 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)[nH]c1C ZINC000628277617 451206982 /nfs/dbraw/zinc/20/69/82/451206982.db2.gz AAQQBXAZOZOUFO-UHFFFAOYSA-N 2 2 347.507 1.841 20 0 EDADLP Cc1[nH]c(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)[nH+]c1C ZINC000628277617 451206988 /nfs/dbraw/zinc/20/69/88/451206988.db2.gz AAQQBXAZOZOUFO-UHFFFAOYSA-N 2 2 347.507 1.841 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000627246133 451207491 /nfs/dbraw/zinc/20/74/91/451207491.db2.gz WQMGXNLWDWGKFR-HPBDAGMYSA-N 2 2 344.459 1.032 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000627246133 451207496 /nfs/dbraw/zinc/20/74/96/451207496.db2.gz WQMGXNLWDWGKFR-HPBDAGMYSA-N 2 2 344.459 1.032 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000634261269 451255553 /nfs/dbraw/zinc/25/55/53/451255553.db2.gz ZWYGBXMMWHRAPN-DOTOQJQBSA-N 2 2 331.464 1.612 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Cn2ccnc2C[NH3+])CC1 ZINC000630583863 451262565 /nfs/dbraw/zinc/26/25/65/451262565.db2.gz JCYALGWDUJYNAM-OAHLLOKOSA-N 2 2 327.432 1.247 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000638103143 451270622 /nfs/dbraw/zinc/27/06/22/451270622.db2.gz KWRALRRTMCWWRA-SJORKVTESA-N 2 2 333.476 1.734 20 0 EDADLP CCC(=O)N1CC[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000634195814 451231955 /nfs/dbraw/zinc/23/19/55/451231955.db2.gz FXVDDKHQZQEQOI-CQSZACIVSA-N 2 2 345.447 1.030 20 0 EDADLP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636557990 451300884 /nfs/dbraw/zinc/30/08/84/451300884.db2.gz HMXHSXDPNNBHBV-FUHWJXTLSA-N 2 2 339.443 1.944 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCC3(C[NH+](C)C3)C2)cc1 ZINC000635858486 451304748 /nfs/dbraw/zinc/30/47/48/451304748.db2.gz IXVLTIMGMSBCJD-KRWDZBQOSA-N 2 2 329.444 1.434 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCC3(C[NH+](C)C3)C2)cc1 ZINC000635858486 451304752 /nfs/dbraw/zinc/30/47/52/451304752.db2.gz IXVLTIMGMSBCJD-KRWDZBQOSA-N 2 2 329.444 1.434 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635881581 451327728 /nfs/dbraw/zinc/32/77/28/451327728.db2.gz ASWPMRCSQBXJOU-CHWSQXEVSA-N 2 2 327.388 1.266 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635881581 451327735 /nfs/dbraw/zinc/32/77/35/451327735.db2.gz ASWPMRCSQBXJOU-CHWSQXEVSA-N 2 2 327.388 1.266 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636618368 451355099 /nfs/dbraw/zinc/35/50/99/451355099.db2.gz CQVZGQDUKOYAHW-HZPDHXFCSA-N 2 2 327.432 1.280 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000636662132 451395112 /nfs/dbraw/zinc/39/51/12/451395112.db2.gz MBZFVYXWSZORHE-WBVHZDCISA-N 2 2 327.432 1.718 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638296352 451412054 /nfs/dbraw/zinc/41/20/54/451412054.db2.gz MYVVJGRASIADSE-PBHICJAKSA-N 2 2 337.489 1.709 20 0 EDADLP CC[N@H+](Cc1cnn(C)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634643632 451437746 /nfs/dbraw/zinc/43/77/46/451437746.db2.gz FTOALWYEDYTYFA-LJQANCHMSA-N 2 2 328.460 1.879 20 0 EDADLP CC[N@@H+](Cc1cnn(C)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634643632 451437751 /nfs/dbraw/zinc/43/77/51/451437751.db2.gz FTOALWYEDYTYFA-LJQANCHMSA-N 2 2 328.460 1.879 20 0 EDADLP CC[NH+](Cc1cnn(C)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634643632 451437755 /nfs/dbraw/zinc/43/77/55/451437755.db2.gz FTOALWYEDYTYFA-LJQANCHMSA-N 2 2 328.460 1.879 20 0 EDADLP CC[NH+](Cc1cnn(C)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643632 451437763 /nfs/dbraw/zinc/43/77/63/451437763.db2.gz FTOALWYEDYTYFA-LJQANCHMSA-N 2 2 328.460 1.879 20 0 EDADLP CO[C@@H](C[NH2+]CC1([NH+]2CCSCC2)CCCC1)[C@H]1CCOC1 ZINC000638358951 451458966 /nfs/dbraw/zinc/45/89/66/451458966.db2.gz CYRNMEJAOMBCJA-HOTGVXAUSA-N 2 2 328.522 1.989 20 0 EDADLP Cc1[nH+]ccn1CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634701478 451476018 /nfs/dbraw/zinc/47/60/18/451476018.db2.gz QKFOLSWWYDHJTR-LJQANCHMSA-N 3 2 328.460 1.808 20 0 EDADLP Cc1[nH+]ccn1CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701478 451476023 /nfs/dbraw/zinc/47/60/23/451476023.db2.gz QKFOLSWWYDHJTR-LJQANCHMSA-N 3 2 328.460 1.808 20 0 EDADLP CC(C)N1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000634705360 451482818 /nfs/dbraw/zinc/48/28/18/451482818.db2.gz YYDHBCBPQQDFLA-PKOBYXMFSA-N 2 2 331.460 1.222 20 0 EDADLP CC(C)N1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000634705360 451482822 /nfs/dbraw/zinc/48/28/22/451482822.db2.gz YYDHBCBPQQDFLA-PKOBYXMFSA-N 2 2 331.460 1.222 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@H]1CCn2c[nH+]cc2C1 ZINC000636074809 451490685 /nfs/dbraw/zinc/49/06/85/451490685.db2.gz NUGSKOLFNCJDOZ-JQWIXIFHSA-N 2 2 327.310 1.704 20 0 EDADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000634712378 451493221 /nfs/dbraw/zinc/49/32/21/451493221.db2.gz FAHZJMATGZZMSL-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000634712378 451493224 /nfs/dbraw/zinc/49/32/24/451493224.db2.gz FAHZJMATGZZMSL-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1(C)C ZINC000636090624 451509559 /nfs/dbraw/zinc/50/95/59/451509559.db2.gz LTAPLUXZFYWGLX-ZWKOTPCHSA-N 2 2 345.487 1.977 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)ccc1F ZINC000636794777 451516071 /nfs/dbraw/zinc/51/60/71/451516071.db2.gz JSFKTVKVIRVZKU-AWEZNQCLSA-N 2 2 331.395 1.508 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000638494808 451543811 /nfs/dbraw/zinc/54/38/11/451543811.db2.gz JROKKIRRVZRCSW-YRGRVCCFSA-N 2 2 345.365 1.316 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000631035706 451544360 /nfs/dbraw/zinc/54/43/60/451544360.db2.gz VKWUDANLMBEVBS-UHFFFAOYSA-N 2 2 329.448 1.981 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000636858274 451559693 /nfs/dbraw/zinc/55/96/93/451559693.db2.gz NROMYDQDDNZQOZ-IBGZPJMESA-N 2 2 345.487 1.830 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000634811293 451567422 /nfs/dbraw/zinc/56/74/22/451567422.db2.gz ZUEVOHLWLIQFQV-AWEZNQCLSA-N 2 2 343.435 1.563 20 0 EDADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(F)cc1Br ZINC000631113535 451590785 /nfs/dbraw/zinc/59/07/85/451590785.db2.gz YVHVJUDPPLOLGO-AWEZNQCLSA-N 2 2 347.228 1.753 20 0 EDADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(F)cc1Br ZINC000631113535 451590791 /nfs/dbraw/zinc/59/07/91/451590791.db2.gz YVHVJUDPPLOLGO-AWEZNQCLSA-N 2 2 347.228 1.753 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)n1cc[nH+]c1 ZINC000636228238 451604889 /nfs/dbraw/zinc/60/48/89/451604889.db2.gz DXVCSNFXJZUQPZ-IAGOWNOFSA-N 2 2 334.464 1.528 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)n1cc[nH+]c1 ZINC000636228238 451604891 /nfs/dbraw/zinc/60/48/91/451604891.db2.gz DXVCSNFXJZUQPZ-IAGOWNOFSA-N 2 2 334.464 1.528 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(=O)[nH]c3)[nH+]c2)CC1 ZINC000631094446 451580753 /nfs/dbraw/zinc/58/07/53/451580753.db2.gz WIJVCMOGVQRBKB-UHFFFAOYSA-N 2 2 327.432 2.325 20 0 EDADLP CC[C@@H](Nc1nc(C)[nH+]c(N)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000631165530 451620926 /nfs/dbraw/zinc/62/09/26/451620926.db2.gz NBFPHIDEQMQDTH-HZPDHXFCSA-N 2 2 342.447 1.854 20 0 EDADLP CC[C@@H](Nc1nc(C)[nH+]c(N)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000631165530 451620927 /nfs/dbraw/zinc/62/09/27/451620927.db2.gz NBFPHIDEQMQDTH-HZPDHXFCSA-N 2 2 342.447 1.854 20 0 EDADLP O[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C12CCC2 ZINC000631175327 451625918 /nfs/dbraw/zinc/62/59/18/451625918.db2.gz MTPSBLSERBJZGO-RBUKOAKNSA-N 2 2 346.471 1.791 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1nccn1C ZINC000631177229 451627362 /nfs/dbraw/zinc/62/73/62/451627362.db2.gz MTXWSBZZMSAPII-INIZCTEOSA-N 2 2 344.459 1.982 20 0 EDADLP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000638668621 451641916 /nfs/dbraw/zinc/64/19/16/451641916.db2.gz NWZWVURFKQLILB-QGZVFWFLSA-N 2 2 345.443 1.751 20 0 EDADLP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000638668621 451641922 /nfs/dbraw/zinc/64/19/22/451641922.db2.gz NWZWVURFKQLILB-QGZVFWFLSA-N 2 2 345.443 1.751 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC[N@@H+]1C ZINC000632921351 451651973 /nfs/dbraw/zinc/65/19/73/451651973.db2.gz CYHWUEPNHFPBKD-DLBZAZTESA-N 2 2 344.463 1.376 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC[N@H+]1C ZINC000632921351 451651980 /nfs/dbraw/zinc/65/19/80/451651980.db2.gz CYHWUEPNHFPBKD-DLBZAZTESA-N 2 2 344.463 1.376 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000631230619 451653015 /nfs/dbraw/zinc/65/30/15/451653015.db2.gz ZMVGSHSCDLCZKD-GDBMZVCRSA-N 2 2 325.478 1.178 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000631230619 451653020 /nfs/dbraw/zinc/65/30/20/451653020.db2.gz ZMVGSHSCDLCZKD-GDBMZVCRSA-N 2 2 325.478 1.178 20 0 EDADLP CN(C(=O)c1[nH]cnc1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247593 451660645 /nfs/dbraw/zinc/66/06/45/451660645.db2.gz ZUDBRSKMWOAVHY-HNNXBMFYSA-N 2 2 347.507 1.948 20 0 EDADLP CN(C(=O)c1[nH]cnc1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247593 451660651 /nfs/dbraw/zinc/66/06/51/451660651.db2.gz ZUDBRSKMWOAVHY-HNNXBMFYSA-N 2 2 347.507 1.948 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cccc3[nH]ccc32)CC1 ZINC000636987541 451663713 /nfs/dbraw/zinc/66/37/13/451663713.db2.gz OTGZSGVGDWYCGH-UHFFFAOYSA-N 2 2 343.475 1.993 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000638754652 451680336 /nfs/dbraw/zinc/68/03/36/451680336.db2.gz UCFMIVKJUZSSPU-BRWVUGGUSA-N 2 2 340.512 1.611 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000638754652 451680340 /nfs/dbraw/zinc/68/03/40/451680340.db2.gz UCFMIVKJUZSSPU-BRWVUGGUSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)C2 ZINC000631325475 451696547 /nfs/dbraw/zinc/69/65/47/451696547.db2.gz AKJFNDHLKBFOMA-ZDUSSCGKSA-N 2 2 329.448 2.241 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3nnc(C(C)(C)C)o3)CC2)CC1 ZINC000631340300 451702131 /nfs/dbraw/zinc/70/21/31/451702131.db2.gz PWFUQCYCFDDBHG-UHFFFAOYSA-N 2 2 349.479 1.656 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cc(C[NH+]3CCC(OC)CC3)nn2)c1C ZINC000640953982 451703059 /nfs/dbraw/zinc/70/30/59/451703059.db2.gz BGXXGYNIGMGRIH-UHFFFAOYSA-N 2 2 345.447 1.958 20 0 EDADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636462704 451720496 /nfs/dbraw/zinc/72/04/96/451720496.db2.gz MSCYIFPGFSFYQD-GOEBONIOSA-N 2 2 343.431 1.927 20 0 EDADLP CO[C@@H](C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCCC1 ZINC000638981602 451745386 /nfs/dbraw/zinc/74/53/86/451745386.db2.gz VKXSKHKCXMBIDC-HOTGVXAUSA-N 2 2 334.464 1.706 20 0 EDADLP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003483 451751438 /nfs/dbraw/zinc/75/14/38/451751438.db2.gz HFFWRTCCFOXTGO-MSOLQXFVSA-N 2 2 345.491 1.461 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000639043619 451756594 /nfs/dbraw/zinc/75/65/94/451756594.db2.gz VWBNNJHRJDZLBQ-XIRDDKMYSA-N 2 2 348.466 1.722 20 0 EDADLP OCC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCC1 ZINC000639088685 451766310 /nfs/dbraw/zinc/76/63/10/451766310.db2.gz ZPHYWCKFCLGGRD-UHFFFAOYSA-N 2 2 334.460 1.744 20 0 EDADLP OCC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCC1 ZINC000639088685 451766312 /nfs/dbraw/zinc/76/63/12/451766312.db2.gz ZPHYWCKFCLGGRD-UHFFFAOYSA-N 2 2 334.460 1.744 20 0 EDADLP CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(N(C)C)[nH+]c3)nn2)n1 ZINC000641178551 451770633 /nfs/dbraw/zinc/77/06/33/451770633.db2.gz XTKJUZNKORDBIY-UHFFFAOYSA-N 2 2 340.435 1.142 20 0 EDADLP C[NH2+][C@H](C)c1cn(C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641213637 451783249 /nfs/dbraw/zinc/78/32/49/451783249.db2.gz LPRPFCWFRXTRRH-ZIAGYGMSSA-N 2 2 328.420 1.586 20 0 EDADLP OCc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000639212371 451792708 /nfs/dbraw/zinc/79/27/08/451792708.db2.gz YKYNCRSKFPBUBE-HXUWFJFHSA-N 2 2 326.440 1.688 20 0 EDADLP OCc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000639212371 451792710 /nfs/dbraw/zinc/79/27/10/451792710.db2.gz YKYNCRSKFPBUBE-HXUWFJFHSA-N 2 2 326.440 1.688 20 0 EDADLP O=C(NCC[NH2+]C1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000637339189 451793929 /nfs/dbraw/zinc/79/39/29/451793929.db2.gz HAXFZBNTFWBTON-UHFFFAOYSA-N 2 2 332.448 1.145 20 0 EDADLP C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641252461 451794513 /nfs/dbraw/zinc/79/45/13/451794513.db2.gz MYINDFBLMRQISH-UHFFFAOYSA-N 2 2 339.505 1.541 20 0 EDADLP C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641252461 451794515 /nfs/dbraw/zinc/79/45/15/451794515.db2.gz MYINDFBLMRQISH-UHFFFAOYSA-N 2 2 339.505 1.541 20 0 EDADLP CO[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000639302992 451816837 /nfs/dbraw/zinc/81/68/37/451816837.db2.gz QAYCHIWWHZSPJV-ZWKOTPCHSA-N 2 2 326.481 1.615 20 0 EDADLP CO[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000639302992 451816842 /nfs/dbraw/zinc/81/68/42/451816842.db2.gz QAYCHIWWHZSPJV-ZWKOTPCHSA-N 2 2 326.481 1.615 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CCn2cc[nH+]c2)c1C ZINC000641306003 451829158 /nfs/dbraw/zinc/82/91/58/451829158.db2.gz KZLJBGMSSBXLKZ-UHFFFAOYSA-N 2 2 338.433 1.365 20 0 EDADLP C[N@@H+]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000644547847 451855538 /nfs/dbraw/zinc/85/55/38/451855538.db2.gz BQKOPVWQEHFRFH-INIZCTEOSA-N 2 2 344.459 1.826 20 0 EDADLP C[N@H+]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000644547847 451855544 /nfs/dbraw/zinc/85/55/44/451855544.db2.gz BQKOPVWQEHFRFH-INIZCTEOSA-N 2 2 344.459 1.826 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000649213811 451908513 /nfs/dbraw/zinc/90/85/13/451908513.db2.gz SCIJGNPGQVNXAK-SJLPKXTDSA-N 2 2 346.475 1.549 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)CC2)[nH+]c1 ZINC000646911988 451929732 /nfs/dbraw/zinc/92/97/32/451929732.db2.gz KVPUSADQBCCOCK-IRXDYDNUSA-N 2 2 328.460 1.769 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)CC2)[nH+]c1 ZINC000646911988 451929736 /nfs/dbraw/zinc/92/97/36/451929736.db2.gz KVPUSADQBCCOCK-IRXDYDNUSA-N 2 2 328.460 1.769 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccc(F)cc1 ZINC000649282266 451953968 /nfs/dbraw/zinc/95/39/68/451953968.db2.gz PXAWCIPFFMKIRC-UKRRQHHQSA-N 2 2 332.379 1.001 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000649281363 451954720 /nfs/dbraw/zinc/95/47/20/451954720.db2.gz BDNZGNLATKNZKZ-RCCFBDPRSA-N 2 2 331.460 1.551 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1cccc(F)c1 ZINC000649282753 451955439 /nfs/dbraw/zinc/95/54/39/451955439.db2.gz DLDPUDLXXBFBMW-DZGCQCFKSA-N 2 2 332.379 1.001 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788925 451964995 /nfs/dbraw/zinc/96/49/95/451964995.db2.gz JFYPYSQHHDXRBM-IAGOWNOFSA-N 2 2 346.475 1.121 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788925 451965001 /nfs/dbraw/zinc/96/50/01/451965001.db2.gz JFYPYSQHHDXRBM-IAGOWNOFSA-N 2 2 346.475 1.121 20 0 EDADLP C[N@@H+]1CC[C@@](N)(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000649302057 451978385 /nfs/dbraw/zinc/97/83/85/451978385.db2.gz QHBZIGWHGCTGDH-IBGZPJMESA-N 2 2 339.443 1.858 20 0 EDADLP C[N@H+]1CC[C@@](N)(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000649302057 451978391 /nfs/dbraw/zinc/97/83/91/451978391.db2.gz QHBZIGWHGCTGDH-IBGZPJMESA-N 2 2 339.443 1.858 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492964 451982151 /nfs/dbraw/zinc/98/21/51/451982151.db2.gz FLNUKVMOORFZDE-IBGZPJMESA-N 3 2 341.540 1.514 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492964 451982156 /nfs/dbraw/zinc/98/21/56/451982156.db2.gz FLNUKVMOORFZDE-IBGZPJMESA-N 3 2 341.540 1.514 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000649308944 451987241 /nfs/dbraw/zinc/98/72/41/451987241.db2.gz JCWGREDGNGPANE-WMLDXEAASA-N 2 2 336.505 1.109 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000649308944 451987247 /nfs/dbraw/zinc/98/72/47/451987247.db2.gz JCWGREDGNGPANE-WMLDXEAASA-N 2 2 336.505 1.109 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)C2 ZINC000649317880 451996142 /nfs/dbraw/zinc/99/61/42/451996142.db2.gz AVRXFOVPDOWIGY-RYUDHWBXSA-N 2 2 340.418 1.856 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000649323098 452001737 /nfs/dbraw/zinc/00/17/37/452001737.db2.gz GOBCNLCFRWEQDT-YWPYICTPSA-N 2 2 325.840 1.565 20 0 EDADLP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000651690627 452017053 /nfs/dbraw/zinc/01/70/53/452017053.db2.gz NWZBKVYJXVDOEL-UHFFFAOYSA-N 2 2 341.459 1.353 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000649341008 452021648 /nfs/dbraw/zinc/02/16/48/452021648.db2.gz HHGAMUDHJREITQ-FRFSOERESA-N 2 2 336.505 1.280 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000649341008 452021649 /nfs/dbraw/zinc/02/16/49/452021649.db2.gz HHGAMUDHJREITQ-FRFSOERESA-N 2 2 336.505 1.280 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649350445 452034209 /nfs/dbraw/zinc/03/42/09/452034209.db2.gz DKTCILVUUYGRML-INIZCTEOSA-N 2 2 338.883 1.484 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649350445 452034215 /nfs/dbraw/zinc/03/42/15/452034215.db2.gz DKTCILVUUYGRML-INIZCTEOSA-N 2 2 338.883 1.484 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000649352246 452035086 /nfs/dbraw/zinc/03/50/86/452035086.db2.gz FQWLICAHAXZYPG-UHFFFAOYSA-N 2 2 333.480 1.199 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000649357531 452038674 /nfs/dbraw/zinc/03/86/74/452038674.db2.gz PYZOJFBASOJAHI-AEFFLSMTSA-N 3 2 341.459 1.060 20 0 EDADLP CO[C@@H](Cc1ccccc1)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000649393429 452063514 /nfs/dbraw/zinc/06/35/14/452063514.db2.gz MGNIHHLMDHZLPQ-OALUTQOASA-N 2 2 345.487 1.658 20 0 EDADLP CO[C@@H](Cc1ccccc1)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000649393429 452063519 /nfs/dbraw/zinc/06/35/19/452063519.db2.gz MGNIHHLMDHZLPQ-OALUTQOASA-N 2 2 345.487 1.658 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000649416447 452077594 /nfs/dbraw/zinc/07/75/94/452077594.db2.gz AMDTVSLLIVSJDL-AEFFLSMTSA-N 2 2 332.492 1.688 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000649416447 452077597 /nfs/dbraw/zinc/07/75/97/452077597.db2.gz AMDTVSLLIVSJDL-AEFFLSMTSA-N 2 2 332.492 1.688 20 0 EDADLP c1nnc([C@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954243 452085819 /nfs/dbraw/zinc/08/58/19/452085819.db2.gz MPRHIIMQQNKWST-ROUUACIJSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954243 452085821 /nfs/dbraw/zinc/08/58/21/452085821.db2.gz MPRHIIMQQNKWST-ROUUACIJSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954243 452085827 /nfs/dbraw/zinc/08/58/27/452085827.db2.gz MPRHIIMQQNKWST-ROUUACIJSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954243 452085834 /nfs/dbraw/zinc/08/58/34/452085834.db2.gz MPRHIIMQQNKWST-ROUUACIJSA-N 2 2 341.459 1.885 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000639761035 452099447 /nfs/dbraw/zinc/09/94/47/452099447.db2.gz FDOFPKBAVPJDGD-HXUWFJFHSA-N 2 2 345.487 1.566 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000639761035 452099454 /nfs/dbraw/zinc/09/94/54/452099454.db2.gz FDOFPKBAVPJDGD-HXUWFJFHSA-N 2 2 345.487 1.566 20 0 EDADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761000 452099501 /nfs/dbraw/zinc/09/95/01/452099501.db2.gz DOXOIUYUTYCATB-APWZRJJASA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761000 452099505 /nfs/dbraw/zinc/09/95/05/452099505.db2.gz DOXOIUYUTYCATB-APWZRJJASA-N 2 2 333.476 1.388 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000649486490 452107191 /nfs/dbraw/zinc/10/71/91/452107191.db2.gz OKCWBXWMLGQJHJ-UHFFFAOYSA-N 2 2 345.365 1.791 20 0 EDADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767980 452110306 /nfs/dbraw/zinc/11/03/06/452110306.db2.gz XDHFOKVAWBBECN-HXUWFJFHSA-N 2 2 347.503 1.812 20 0 EDADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767980 452110312 /nfs/dbraw/zinc/11/03/12/452110312.db2.gz XDHFOKVAWBBECN-HXUWFJFHSA-N 2 2 347.503 1.812 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767965 452110349 /nfs/dbraw/zinc/11/03/49/452110349.db2.gz XAAHUHNRSAWHMF-OXJNMPFZSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767965 452110353 /nfs/dbraw/zinc/11/03/53/452110353.db2.gz XAAHUHNRSAWHMF-OXJNMPFZSA-N 2 2 345.487 1.348 20 0 EDADLP Cc1sc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1-c1ccco1 ZINC000637865958 452123343 /nfs/dbraw/zinc/12/33/43/452123343.db2.gz GYGQITPDFIJEJW-LBPRGKRZSA-N 2 2 334.445 1.355 20 0 EDADLP Cc1sc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1-c1ccco1 ZINC000637865958 452123346 /nfs/dbraw/zinc/12/33/46/452123346.db2.gz GYGQITPDFIJEJW-LBPRGKRZSA-N 2 2 334.445 1.355 20 0 EDADLP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000651865919 452129616 /nfs/dbraw/zinc/12/96/16/452129616.db2.gz MRLSGDOPGBGHHV-UHFFFAOYSA-N 3 2 340.556 1.351 20 0 EDADLP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000651865919 452129622 /nfs/dbraw/zinc/12/96/22/452129622.db2.gz MRLSGDOPGBGHHV-UHFFFAOYSA-N 3 2 340.556 1.351 20 0 EDADLP CC(C)C[N@H+](C)CCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000651865919 452129629 /nfs/dbraw/zinc/12/96/29/452129629.db2.gz MRLSGDOPGBGHHV-UHFFFAOYSA-N 3 2 340.556 1.351 20 0 EDADLP CC(C)C[N@@H+](C)CCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000651865919 452129632 /nfs/dbraw/zinc/12/96/32/452129632.db2.gz MRLSGDOPGBGHHV-UHFFFAOYSA-N 3 2 340.556 1.351 20 0 EDADLP CCc1n[nH]cc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643362766 452150508 /nfs/dbraw/zinc/15/05/08/452150508.db2.gz JDJVZIAUGPQCRV-UHFFFAOYSA-N 2 2 333.480 1.604 20 0 EDADLP CCc1n[nH]cc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643362766 452150515 /nfs/dbraw/zinc/15/05/15/452150515.db2.gz JDJVZIAUGPQCRV-UHFFFAOYSA-N 2 2 333.480 1.604 20 0 EDADLP Cc1cncc(CC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)n1 ZINC000649589153 452157317 /nfs/dbraw/zinc/15/73/17/452157317.db2.gz IYYLSKSMIYVLTB-HXUWFJFHSA-N 2 2 340.471 1.896 20 0 EDADLP Cc1cncc(CC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)n1 ZINC000649589153 452157319 /nfs/dbraw/zinc/15/73/19/452157319.db2.gz IYYLSKSMIYVLTB-HXUWFJFHSA-N 2 2 340.471 1.896 20 0 EDADLP Cc1cncc(CC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000649589153 452157320 /nfs/dbraw/zinc/15/73/20/452157320.db2.gz IYYLSKSMIYVLTB-HXUWFJFHSA-N 2 2 340.471 1.896 20 0 EDADLP Cc1cncc(CC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000649589153 452157322 /nfs/dbraw/zinc/15/73/22/452157322.db2.gz IYYLSKSMIYVLTB-HXUWFJFHSA-N 2 2 340.471 1.896 20 0 EDADLP CC(C)O[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000649698354 452202643 /nfs/dbraw/zinc/20/26/43/452202643.db2.gz XKNHHVDKLHSXKN-MRXNPFEDSA-N 2 2 341.496 1.103 20 0 EDADLP CC(C)O[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000649698354 452202646 /nfs/dbraw/zinc/20/26/46/452202646.db2.gz XKNHHVDKLHSXKN-MRXNPFEDSA-N 2 2 341.496 1.103 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645222629 452218720 /nfs/dbraw/zinc/21/87/20/452218720.db2.gz WQAZBUMPWLYWKJ-WBVHZDCISA-N 2 2 331.460 1.646 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F)cn21 ZINC000647478583 452225882 /nfs/dbraw/zinc/22/58/82/452225882.db2.gz VWAPYXZCPHOYOL-GFCCVEGCSA-N 2 2 343.353 1.764 20 0 EDADLP COC1CC[NH+](CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000643460497 452233384 /nfs/dbraw/zinc/23/33/84/452233384.db2.gz ROJZCLNINKMPRR-QUCCMNQESA-N 3 2 345.487 1.943 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000641784339 452254382 /nfs/dbraw/zinc/25/43/82/452254382.db2.gz BZDCAHZQBAFLQA-MSOLQXFVSA-N 2 2 337.508 1.474 20 0 EDADLP c1cn2c(cccc2C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000641788054 452263442 /nfs/dbraw/zinc/26/34/42/452263442.db2.gz IAMBPYWSHWAUPI-QGZVFWFLSA-N 2 2 343.475 1.221 20 0 EDADLP c1cn2c(cccc2C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)[nH+]1 ZINC000641788054 452263449 /nfs/dbraw/zinc/26/34/49/452263449.db2.gz IAMBPYWSHWAUPI-QGZVFWFLSA-N 3 2 343.475 1.221 20 0 EDADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657464262 452263503 /nfs/dbraw/zinc/26/35/03/452263503.db2.gz LNMUHAMVRRZXFW-TZMCWYRMSA-N 2 2 326.466 1.027 20 0 EDADLP CCn1cc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641788939 452267535 /nfs/dbraw/zinc/26/75/35/452267535.db2.gz WIINHKNBCRRLHA-AEFFLSMTSA-N 2 2 335.496 1.350 20 0 EDADLP C[N@@H+]1CCN(Cc2cnn(Cc3ccccc3Cl)c2)[C@H](C[NH3+])C1 ZINC000647539206 452270489 /nfs/dbraw/zinc/27/04/89/452270489.db2.gz FQSNJAQOEQSQCV-MRXNPFEDSA-N 2 2 333.867 1.660 20 0 EDADLP C[N@H+]1CCN(Cc2cnn(Cc3ccccc3Cl)c2)[C@H](C[NH3+])C1 ZINC000647539206 452270497 /nfs/dbraw/zinc/27/04/97/452270497.db2.gz FQSNJAQOEQSQCV-MRXNPFEDSA-N 2 2 333.867 1.660 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NCC12CC(C1)C[NH2+]2 ZINC000659429513 452275006 /nfs/dbraw/zinc/27/50/06/452275006.db2.gz POYYQJFYCLZOCS-UHFFFAOYSA-N 2 2 325.416 1.483 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000659434395 452282234 /nfs/dbraw/zinc/28/22/34/452282234.db2.gz KMIJBLJHFBCOAM-QZTJIDSGSA-N 2 2 348.491 1.733 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657506528 452285522 /nfs/dbraw/zinc/28/55/22/452285522.db2.gz LSNVBCBNAPZGCX-UHFFFAOYSA-N 2 2 331.420 1.429 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000659440673 452289472 /nfs/dbraw/zinc/28/94/72/452289472.db2.gz UDQLFXACPXZXBF-WBVHZDCISA-N 2 2 334.464 1.275 20 0 EDADLP Cc1nc(N[C@H](C)CN2CC[NH+](C)CC2)c(Br)c(C)[nH+]1 ZINC000663571415 452292501 /nfs/dbraw/zinc/29/25/01/452292501.db2.gz BTFMHMWZTIZKPS-SNVBAGLBSA-N 2 2 342.285 1.904 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568885 452299774 /nfs/dbraw/zinc/29/97/74/452299774.db2.gz WDJFEUXEVWKONO-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568885 452299786 /nfs/dbraw/zinc/29/97/86/452299786.db2.gz WDJFEUXEVWKONO-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000643603391 452327897 /nfs/dbraw/zinc/32/78/97/452327897.db2.gz LHCMGYUGGDPJIG-IRXDYDNUSA-N 2 2 335.423 1.285 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000643603391 452327911 /nfs/dbraw/zinc/32/79/11/452327911.db2.gz LHCMGYUGGDPJIG-IRXDYDNUSA-N 2 2 335.423 1.285 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760744 452331107 /nfs/dbraw/zinc/33/11/07/452331107.db2.gz OKDVLGRTJYCHMJ-YESZJQIVSA-N 3 2 341.544 1.383 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760744 452331115 /nfs/dbraw/zinc/33/11/15/452331115.db2.gz OKDVLGRTJYCHMJ-YESZJQIVSA-N 3 2 341.544 1.383 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760744 452331123 /nfs/dbraw/zinc/33/11/23/452331123.db2.gz OKDVLGRTJYCHMJ-YESZJQIVSA-N 3 2 341.544 1.383 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760744 452331132 /nfs/dbraw/zinc/33/11/32/452331132.db2.gz OKDVLGRTJYCHMJ-YESZJQIVSA-N 3 2 341.544 1.383 20 0 EDADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000638052744 452330958 /nfs/dbraw/zinc/33/09/58/452330958.db2.gz NJZLDZGSKPTTEZ-CQSZACIVSA-N 2 2 339.867 1.861 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638056807 452344989 /nfs/dbraw/zinc/34/49/89/452344989.db2.gz NMAZBMPGEVDLKV-AWEZNQCLSA-N 2 2 345.365 1.496 20 0 EDADLP CC(C)O[C@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000655551900 452368273 /nfs/dbraw/zinc/36/82/73/452368273.db2.gz JRFRCOGAZTYHSA-YQQAZPJKSA-N 2 2 338.496 1.410 20 0 EDADLP CC(C)O[C@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000655551900 452368283 /nfs/dbraw/zinc/36/82/83/452368283.db2.gz JRFRCOGAZTYHSA-YQQAZPJKSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000659513727 452377866 /nfs/dbraw/zinc/37/78/66/452377866.db2.gz ZSFXHJMABQUFRR-LSDHHAIUSA-N 2 2 331.464 1.869 20 0 EDADLP Cn1c[nH+]cc1CCCN1C[C@@H]2C[C@H]1C[N@@H+]2CCCc1c[nH+]cn1C ZINC000640049930 452390960 /nfs/dbraw/zinc/39/09/60/452390960.db2.gz UTFRAMACJDKHDO-OALUTQOASA-N 3 2 342.491 1.478 20 0 EDADLP Cn1c[nH+]cc1CCCN1C[C@@H]2C[C@H]1C[N@H+]2CCCc1c[nH+]cn1C ZINC000640049930 452390969 /nfs/dbraw/zinc/39/09/69/452390969.db2.gz UTFRAMACJDKHDO-OALUTQOASA-N 3 2 342.491 1.478 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)cc2[nH+]1 ZINC000657652233 452422918 /nfs/dbraw/zinc/42/29/18/452422918.db2.gz CBUYNDRNPRTUEO-LBPRGKRZSA-N 2 2 329.404 1.180 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)cc2[nH+]1 ZINC000657652233 452422923 /nfs/dbraw/zinc/42/29/23/452422923.db2.gz CBUYNDRNPRTUEO-LBPRGKRZSA-N 2 2 329.404 1.180 20 0 EDADLP Cc1nc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(Br)c(C)[nH+]1 ZINC000663730599 452465572 /nfs/dbraw/zinc/46/55/72/452465572.db2.gz WVCZQXSAVZLWQC-GZMMTYOYSA-N 2 2 329.242 1.987 20 0 EDADLP Cc1nc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(Br)c(C)[nH+]1 ZINC000663730599 452465577 /nfs/dbraw/zinc/46/55/77/452465577.db2.gz WVCZQXSAVZLWQC-GZMMTYOYSA-N 2 2 329.242 1.987 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC1=CCCOC1 ZINC000661653202 452468948 /nfs/dbraw/zinc/46/89/48/452468948.db2.gz QRRXFYCEDOXXDF-MRXNPFEDSA-N 2 2 344.459 1.397 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC1=CCCOC1 ZINC000661653202 452468954 /nfs/dbraw/zinc/46/89/54/452468954.db2.gz QRRXFYCEDOXXDF-MRXNPFEDSA-N 2 2 344.459 1.397 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000652289987 452472894 /nfs/dbraw/zinc/47/28/94/452472894.db2.gz MZZNBEKHOONMIU-HNNXBMFYSA-N 2 2 334.464 1.268 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665940300 452479506 /nfs/dbraw/zinc/47/95/06/452479506.db2.gz JAYGHPGQYDZWMI-BRWVUGGUSA-N 2 2 346.475 1.945 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@H]1c1ccco1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665940300 452479513 /nfs/dbraw/zinc/47/95/13/452479513.db2.gz JAYGHPGQYDZWMI-BRWVUGGUSA-N 2 2 346.475 1.945 20 0 EDADLP Cn1ncc(Br)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657753855 452502276 /nfs/dbraw/zinc/50/22/76/452502276.db2.gz ZCAXSUQDPQPBFZ-GFCCVEGCSA-N 2 2 343.269 1.526 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCc2ncn(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000647800595 452531558 /nfs/dbraw/zinc/53/15/58/452531558.db2.gz GMTMNDCHMNLKNH-WMZOPIPTSA-N 2 2 329.448 1.839 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCc2ccccc21 ZINC000655724598 452536524 /nfs/dbraw/zinc/53/65/24/452536524.db2.gz FMLVYYUAQMJIQI-CRAIPNDOSA-N 2 2 343.471 1.807 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1(C)C ZINC000652367768 452550206 /nfs/dbraw/zinc/55/02/06/452550206.db2.gz OOXBZIWYYLLRRP-LSDHHAIUSA-N 2 2 331.464 1.997 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1(C)C ZINC000652367768 452550215 /nfs/dbraw/zinc/55/02/15/452550215.db2.gz OOXBZIWYYLLRRP-LSDHHAIUSA-N 2 2 331.464 1.997 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000650150923 452554807 /nfs/dbraw/zinc/55/48/07/452554807.db2.gz BNQJZOUWMOIPIA-VXNCWWDNSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000650150923 452554815 /nfs/dbraw/zinc/55/48/15/452554815.db2.gz BNQJZOUWMOIPIA-VXNCWWDNSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000650150923 452554822 /nfs/dbraw/zinc/55/48/22/452554822.db2.gz BNQJZOUWMOIPIA-VXNCWWDNSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000650150923 452554831 /nfs/dbraw/zinc/55/48/31/452554831.db2.gz BNQJZOUWMOIPIA-VXNCWWDNSA-N 2 2 345.487 1.827 20 0 EDADLP CC[C@H](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370559 452556452 /nfs/dbraw/zinc/55/64/52/452556452.db2.gz CVFMHWDUJQYXOX-ZMSDIMECSA-N 2 2 340.512 1.515 20 0 EDADLP CC[C@H](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370559 452556460 /nfs/dbraw/zinc/55/64/60/452556460.db2.gz CVFMHWDUJQYXOX-ZMSDIMECSA-N 2 2 340.512 1.515 20 0 EDADLP COC1(CCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000652370774 452558904 /nfs/dbraw/zinc/55/89/04/452558904.db2.gz OFLTWGAPYICAPX-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP COC1(CCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000652370774 452558914 /nfs/dbraw/zinc/55/89/14/452558914.db2.gz OFLTWGAPYICAPX-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCO1 ZINC000655760072 452561579 /nfs/dbraw/zinc/56/15/79/452561579.db2.gz WVDFHNDVLKGOFT-SJLPKXTDSA-N 3 2 325.497 1.330 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCO1 ZINC000655760070 452562747 /nfs/dbraw/zinc/56/27/47/452562747.db2.gz WVDFHNDVLKGOFT-AEFFLSMTSA-N 3 2 325.497 1.330 20 0 EDADLP OCCN1CCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772485 452568915 /nfs/dbraw/zinc/56/89/15/452568915.db2.gz XEBZFSARIPKQDR-QZTJIDSGSA-N 2 2 325.497 1.066 20 0 EDADLP COc1ccc(-c2noc([C@@H](C)[N@H+](C)CCN3CC[NH2+]CC3)n2)cc1 ZINC000647836137 452573991 /nfs/dbraw/zinc/57/39/91/452573991.db2.gz ANHYREYVRSKJIL-CQSZACIVSA-N 2 2 345.447 1.643 20 0 EDADLP COc1ccc(-c2noc([C@@H](C)[N@@H+](C)CCN3CC[NH2+]CC3)n2)cc1 ZINC000647836137 452574001 /nfs/dbraw/zinc/57/40/01/452574001.db2.gz ANHYREYVRSKJIL-CQSZACIVSA-N 2 2 345.447 1.643 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000647849133 452582906 /nfs/dbraw/zinc/58/29/06/452582906.db2.gz IOIPYYPEWASUCQ-UHFFFAOYSA-N 2 2 327.812 1.720 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000647849133 452582913 /nfs/dbraw/zinc/58/29/13/452582913.db2.gz IOIPYYPEWASUCQ-UHFFFAOYSA-N 2 2 327.812 1.720 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000647848526 452583255 /nfs/dbraw/zinc/58/32/55/452583255.db2.gz SUHYGJMZODDJHV-UHFFFAOYSA-N 2 2 327.432 1.969 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000647848526 452583261 /nfs/dbraw/zinc/58/32/61/452583261.db2.gz SUHYGJMZODDJHV-UHFFFAOYSA-N 2 2 327.432 1.969 20 0 EDADLP Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000655829029 452600190 /nfs/dbraw/zinc/60/01/90/452600190.db2.gz JNKKWJMGAONOAM-IAGOWNOFSA-N 2 2 325.460 1.927 20 0 EDADLP Cn1nnc2c1CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000655829029 452600198 /nfs/dbraw/zinc/60/01/98/452600198.db2.gz JNKKWJMGAONOAM-IAGOWNOFSA-N 2 2 325.460 1.927 20 0 EDADLP CC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@H]1CCCCO1 ZINC000655847884 452608265 /nfs/dbraw/zinc/60/82/65/452608265.db2.gz DZQWITOZNHBIGL-RTBURBONSA-N 2 2 339.524 1.720 20 0 EDADLP CC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@H]1CCCCO1 ZINC000655847884 452608272 /nfs/dbraw/zinc/60/82/72/452608272.db2.gz DZQWITOZNHBIGL-RTBURBONSA-N 2 2 339.524 1.720 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647878099 452619257 /nfs/dbraw/zinc/61/92/57/452619257.db2.gz PMYMCXNLBOUPDS-HNNXBMFYSA-N 2 2 340.431 1.634 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647878099 452619264 /nfs/dbraw/zinc/61/92/64/452619264.db2.gz PMYMCXNLBOUPDS-HNNXBMFYSA-N 2 2 340.431 1.634 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647878099 452619270 /nfs/dbraw/zinc/61/92/70/452619270.db2.gz PMYMCXNLBOUPDS-HNNXBMFYSA-N 2 2 340.431 1.634 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647878099 452619277 /nfs/dbraw/zinc/61/92/77/452619277.db2.gz PMYMCXNLBOUPDS-HNNXBMFYSA-N 2 2 340.431 1.634 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663893074 452619553 /nfs/dbraw/zinc/61/95/53/452619553.db2.gz IUMWBMOEHIMZSN-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663893074 452619560 /nfs/dbraw/zinc/61/95/60/452619560.db2.gz IUMWBMOEHIMZSN-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP O=C1[C@@H](N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000647884899 452622689 /nfs/dbraw/zinc/62/26/89/452622689.db2.gz HNZLRPPZAOTTHE-WMZOPIPTSA-N 2 2 328.460 1.019 20 0 EDADLP O=C1[C@@H]([NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000647884899 452622697 /nfs/dbraw/zinc/62/26/97/452622697.db2.gz HNZLRPPZAOTTHE-WMZOPIPTSA-N 2 2 328.460 1.019 20 0 EDADLP O=C(c1ccc(Cl)cc1F)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647884078 452623343 /nfs/dbraw/zinc/62/33/43/452623343.db2.gz DHIURPIAXVKBFH-LBPRGKRZSA-N 2 2 325.815 1.846 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647940050 452681911 /nfs/dbraw/zinc/68/19/11/452681911.db2.gz KXQQVJKLBZXDNU-BBRMVZONSA-N 2 2 332.448 1.386 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647940050 452681919 /nfs/dbraw/zinc/68/19/19/452681919.db2.gz KXQQVJKLBZXDNU-BBRMVZONSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000663982702 452688197 /nfs/dbraw/zinc/68/81/97/452688197.db2.gz KUWJNLIJKGURLD-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000663982702 452688208 /nfs/dbraw/zinc/68/82/08/452688208.db2.gz KUWJNLIJKGURLD-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664002438 452704150 /nfs/dbraw/zinc/70/41/50/452704150.db2.gz GJIDXDIKQPDKDG-GVDBMIGSSA-N 2 2 340.512 1.515 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664002438 452704157 /nfs/dbraw/zinc/70/41/57/452704157.db2.gz GJIDXDIKQPDKDG-GVDBMIGSSA-N 2 2 340.512 1.515 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664002438 452704162 /nfs/dbraw/zinc/70/41/62/452704162.db2.gz GJIDXDIKQPDKDG-GVDBMIGSSA-N 2 2 340.512 1.515 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664002438 452704174 /nfs/dbraw/zinc/70/41/74/452704174.db2.gz GJIDXDIKQPDKDG-GVDBMIGSSA-N 2 2 340.512 1.515 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000647968969 452713120 /nfs/dbraw/zinc/71/31/20/452713120.db2.gz FBODUDJNVGWPQM-CABCVRRESA-N 2 2 342.867 1.732 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000647968969 452713124 /nfs/dbraw/zinc/71/31/24/452713124.db2.gz FBODUDJNVGWPQM-CABCVRRESA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000647968969 452713129 /nfs/dbraw/zinc/71/31/29/452713129.db2.gz FBODUDJNVGWPQM-CABCVRRESA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000647968969 452713137 /nfs/dbraw/zinc/71/31/37/452713137.db2.gz FBODUDJNVGWPQM-CABCVRRESA-N 2 2 342.867 1.732 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3COC(C)(C)C3)CC2)C1 ZINC000659887127 452765148 /nfs/dbraw/zinc/76/51/48/452765148.db2.gz IFZMXJUMNVYORS-DLBZAZTESA-N 2 2 325.497 1.281 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3COC(C)(C)C3)CC2)C1 ZINC000659887127 452765166 /nfs/dbraw/zinc/76/51/66/452765166.db2.gz IFZMXJUMNVYORS-DLBZAZTESA-N 2 2 325.497 1.281 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCc2ccccc21 ZINC000664072889 452766964 /nfs/dbraw/zinc/76/69/64/452766964.db2.gz WUNFPLVFCYKANU-QGZVFWFLSA-N 2 2 332.492 1.899 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCc2ccccc21 ZINC000664072889 452766970 /nfs/dbraw/zinc/76/69/70/452766970.db2.gz WUNFPLVFCYKANU-QGZVFWFLSA-N 2 2 332.492 1.899 20 0 EDADLP C[C@H](O)CNc1cc(NCC2CC[NH+](C3CCOCC3)CC2)nc[nH+]1 ZINC000664152794 452825112 /nfs/dbraw/zinc/82/51/12/452825112.db2.gz HMDPGCQKOOJZIR-AWEZNQCLSA-N 2 2 349.479 1.572 20 0 EDADLP C[C@H](O)CNc1cc(NCC2CC[NH+](C3CCOCC3)CC2)[nH+]cn1 ZINC000664152794 452825118 /nfs/dbraw/zinc/82/51/18/452825118.db2.gz HMDPGCQKOOJZIR-AWEZNQCLSA-N 2 2 349.479 1.572 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118706 452835009 /nfs/dbraw/zinc/83/50/09/452835009.db2.gz ZGTDKPFGCSJJFK-HRCADAONSA-N 3 2 345.491 1.279 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C(C)(C)CO ZINC000664183619 452853136 /nfs/dbraw/zinc/85/31/36/452853136.db2.gz UGASIDUILSFMRR-HUUCEWRRSA-N 2 2 349.479 1.263 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)CO ZINC000664183619 452853149 /nfs/dbraw/zinc/85/31/49/452853149.db2.gz UGASIDUILSFMRR-HUUCEWRRSA-N 2 2 349.479 1.263 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000658340163 452853263 /nfs/dbraw/zinc/85/32/63/452853263.db2.gz BONBTGCBRZFKRH-ZWKOTPCHSA-N 2 2 344.503 1.449 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000658340163 452853281 /nfs/dbraw/zinc/85/32/81/452853281.db2.gz BONBTGCBRZFKRH-ZWKOTPCHSA-N 2 2 344.503 1.449 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C3CC3)nn2C)[C@@H](C)C1 ZINC000645861119 452856655 /nfs/dbraw/zinc/85/66/55/452856655.db2.gz YWRXIZYJWDWKIB-HOCLYGCPSA-N 2 2 335.496 1.919 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc(C3CC3)nn2C)[C@@H](C)C1 ZINC000645861119 452856667 /nfs/dbraw/zinc/85/66/67/452856667.db2.gz YWRXIZYJWDWKIB-HOCLYGCPSA-N 2 2 335.496 1.919 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658345041 452858030 /nfs/dbraw/zinc/85/80/30/452858030.db2.gz YBDMRVYJFHVRNY-QFBILLFUSA-N 2 2 327.476 1.887 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658345041 452858038 /nfs/dbraw/zinc/85/80/38/452858038.db2.gz YBDMRVYJFHVRNY-QFBILLFUSA-N 2 2 327.476 1.887 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654736074 452863027 /nfs/dbraw/zinc/86/30/27/452863027.db2.gz YDINDBDYEPVADQ-BRWVUGGUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654736074 452863035 /nfs/dbraw/zinc/86/30/35/452863035.db2.gz YDINDBDYEPVADQ-BRWVUGGUSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000656113023 452871245 /nfs/dbraw/zinc/87/12/45/452871245.db2.gz MQZSJSDVQDIFOG-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000656113023 452871256 /nfs/dbraw/zinc/87/12/56/452871256.db2.gz MQZSJSDVQDIFOG-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CC2([NH3+])CCC2)CC1 ZINC000648164675 452872861 /nfs/dbraw/zinc/87/28/61/452872861.db2.gz HIUNJFIBRFEDSY-UHFFFAOYSA-N 2 2 344.459 1.561 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000656125972 452881190 /nfs/dbraw/zinc/88/11/90/452881190.db2.gz ZSLWYJNEYADUEH-HNNXBMFYSA-N 2 2 332.496 1.761 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000656125972 452881200 /nfs/dbraw/zinc/88/12/00/452881200.db2.gz ZSLWYJNEYADUEH-HNNXBMFYSA-N 2 2 332.496 1.761 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)ccn12 ZINC000654749430 452881349 /nfs/dbraw/zinc/88/13/49/452881349.db2.gz LMYMLLCLMDKHKO-HOTGVXAUSA-N 2 2 328.416 1.314 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000643983401 452894271 /nfs/dbraw/zinc/89/42/71/452894271.db2.gz ITWSPAWMVFSYQN-PKOBYXMFSA-N 2 2 345.487 1.265 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000643983401 452894276 /nfs/dbraw/zinc/89/42/76/452894276.db2.gz ITWSPAWMVFSYQN-PKOBYXMFSA-N 2 2 345.487 1.265 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccn(C(C)(C)C)n3)C2)CC1 ZINC000654775383 452908387 /nfs/dbraw/zinc/90/83/87/452908387.db2.gz KUTJTKVOMPTFFH-AWEZNQCLSA-N 2 2 333.480 1.536 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccn(C(C)(C)C)n3)C2)CC1 ZINC000654775383 452908389 /nfs/dbraw/zinc/90/83/89/452908389.db2.gz KUTJTKVOMPTFFH-AWEZNQCLSA-N 2 2 333.480 1.536 20 0 EDADLP COc1nc(NCC[N@H+](C)CCC[NH+](C)C)ncc1Br ZINC000664248259 452928189 /nfs/dbraw/zinc/92/81/89/452928189.db2.gz RKYAZLXQSXWAPW-UHFFFAOYSA-N 2 2 346.273 1.543 20 0 EDADLP COc1nc(NCC[N@@H+](C)CCC[NH+](C)C)ncc1Br ZINC000664248259 452928195 /nfs/dbraw/zinc/92/81/95/452928195.db2.gz RKYAZLXQSXWAPW-UHFFFAOYSA-N 2 2 346.273 1.543 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000656198963 452955316 /nfs/dbraw/zinc/95/53/16/452955316.db2.gz PEFHEHJOWZOOMU-RRFJBIMHSA-N 2 2 335.452 1.205 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000656203378 452957397 /nfs/dbraw/zinc/95/73/97/452957397.db2.gz HWMPJMXNUOLBES-UHFFFAOYSA-N 2 2 332.448 1.972 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)C(C)C ZINC000664285278 452966288 /nfs/dbraw/zinc/96/62/88/452966288.db2.gz FIVDILCJBRXOIA-SJORKVTESA-N 2 2 342.528 1.904 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)C(C)C ZINC000664285278 452966295 /nfs/dbraw/zinc/96/62/95/452966295.db2.gz FIVDILCJBRXOIA-SJORKVTESA-N 2 2 342.528 1.904 20 0 EDADLP Cc1ccc(F)c(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000648316162 452998539 /nfs/dbraw/zinc/99/85/39/452998539.db2.gz JCYHLENJNSQMRI-MRXNPFEDSA-N 2 2 333.451 1.961 20 0 EDADLP Cc1ccc(F)c(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000648316162 452998545 /nfs/dbraw/zinc/99/85/45/452998545.db2.gz JCYHLENJNSQMRI-MRXNPFEDSA-N 2 2 333.451 1.961 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)CCO1 ZINC000662323662 453040315 /nfs/dbraw/zinc/04/03/15/453040315.db2.gz OPBUSFUOUYPLIP-GFCCVEGCSA-N 2 2 330.366 1.946 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)CCO1 ZINC000662323662 453040321 /nfs/dbraw/zinc/04/03/21/453040321.db2.gz OPBUSFUOUYPLIP-GFCCVEGCSA-N 2 2 330.366 1.946 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](CCn2cnc3ccccc3c2=O)CCO1 ZINC000662325822 453042433 /nfs/dbraw/zinc/04/24/33/453042433.db2.gz QISSABWDCAXSPS-INIZCTEOSA-N 2 2 344.459 1.439 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCn2cnc3ccccc3c2=O)CCO1 ZINC000662325822 453042442 /nfs/dbraw/zinc/04/24/42/453042442.db2.gz QISSABWDCAXSPS-INIZCTEOSA-N 2 2 344.459 1.439 20 0 EDADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc(C)n1 ZINC000660128201 453055409 /nfs/dbraw/zinc/05/54/09/453055409.db2.gz TZXRDDALWWKERT-DFNIBXOVSA-N 2 2 329.492 1.836 20 0 EDADLP Cc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc(C)n1 ZINC000660128201 453055419 /nfs/dbraw/zinc/05/54/19/453055419.db2.gz TZXRDDALWWKERT-DFNIBXOVSA-N 2 2 329.492 1.836 20 0 EDADLP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc(C)n1 ZINC000660128201 453055428 /nfs/dbraw/zinc/05/54/28/453055428.db2.gz TZXRDDALWWKERT-DFNIBXOVSA-N 2 2 329.492 1.836 20 0 EDADLP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc(C)n1 ZINC000660128201 453055438 /nfs/dbraw/zinc/05/54/38/453055438.db2.gz TZXRDDALWWKERT-DFNIBXOVSA-N 2 2 329.492 1.836 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000652889372 453058300 /nfs/dbraw/zinc/05/83/00/453058300.db2.gz QIQTYQFHARWIIA-QZTJIDSGSA-N 2 2 331.460 1.347 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000652889372 453058312 /nfs/dbraw/zinc/05/83/12/453058312.db2.gz QIQTYQFHARWIIA-QZTJIDSGSA-N 2 2 331.460 1.347 20 0 EDADLP COc1cc(C)ccc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664401354 453063870 /nfs/dbraw/zinc/06/38/70/453063870.db2.gz OFNOJYVSNMGSES-UHFFFAOYSA-N 2 2 336.480 1.686 20 0 EDADLP COc1cc(C)ccc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664401354 453063878 /nfs/dbraw/zinc/06/38/78/453063878.db2.gz OFNOJYVSNMGSES-UHFFFAOYSA-N 2 2 336.480 1.686 20 0 EDADLP CC[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000648416589 453070969 /nfs/dbraw/zinc/07/09/69/453070969.db2.gz FPMWRBOULYTOCO-SJORKVTESA-N 2 2 333.480 1.536 20 0 EDADLP CC(C)[C@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)[NH+]1CCOCC1 ZINC000662368350 453079988 /nfs/dbraw/zinc/07/99/88/453079988.db2.gz PYJBYSDZFUCYHQ-AWEZNQCLSA-N 2 2 337.489 1.480 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(C)[nH+]1 ZINC000656340640 453102224 /nfs/dbraw/zinc/10/22/24/453102224.db2.gz RPCBKLADSDZSBM-IRXDYDNUSA-N 2 2 344.459 1.448 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc(C)[nH+]1 ZINC000656340640 453102231 /nfs/dbraw/zinc/10/22/31/453102231.db2.gz RPCBKLADSDZSBM-IRXDYDNUSA-N 2 2 344.459 1.448 20 0 EDADLP CCN(C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646103098 453104093 /nfs/dbraw/zinc/10/40/93/453104093.db2.gz AXAJKVYRMDNFFF-UHFFFAOYSA-N 2 2 331.460 1.836 20 0 EDADLP CCN(C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646103098 453104101 /nfs/dbraw/zinc/10/41/01/453104101.db2.gz AXAJKVYRMDNFFF-UHFFFAOYSA-N 2 2 331.460 1.836 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000666754283 453117972 /nfs/dbraw/zinc/11/79/72/453117972.db2.gz JUUPZOLZCNBCFX-ZACQAIPSSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000666754283 453117979 /nfs/dbraw/zinc/11/79/79/453117979.db2.gz JUUPZOLZCNBCFX-ZACQAIPSSA-N 2 2 338.496 1.269 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000664474836 453126614 /nfs/dbraw/zinc/12/66/14/453126614.db2.gz KKFAHCNDPJBHJO-HZPDHXFCSA-N 2 2 335.452 1.319 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000664474836 453126617 /nfs/dbraw/zinc/12/66/17/453126617.db2.gz KKFAHCNDPJBHJO-HZPDHXFCSA-N 2 2 335.452 1.319 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662428344 453135707 /nfs/dbraw/zinc/13/57/07/453135707.db2.gz YIGAOQLIFVHNLK-CYBMUJFWSA-N 2 2 337.221 1.770 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662445710 453152127 /nfs/dbraw/zinc/15/21/27/453152127.db2.gz HWUWFSOFZFFETK-ZDUSSCGKSA-N 2 2 328.420 1.504 20 0 EDADLP C[C@@H](CO)[C@@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664536990 453175939 /nfs/dbraw/zinc/17/59/39/453175939.db2.gz BQFKOSQFICJHJK-RDJZCZTQSA-N 2 2 340.512 1.205 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000648643927 453179513 /nfs/dbraw/zinc/17/95/13/453179513.db2.gz TUAGBPXSLBUHLR-OAHLLOKOSA-N 2 2 337.512 1.546 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000648643927 453179520 /nfs/dbraw/zinc/17/95/20/453179520.db2.gz TUAGBPXSLBUHLR-OAHLLOKOSA-N 2 2 337.512 1.546 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C2([NH+](C)C)CC2)[NH+]2CCOCC2)cc1 ZINC000666847941 453186848 /nfs/dbraw/zinc/18/68/48/453186848.db2.gz FUXWJZMFBSZCNF-QGZVFWFLSA-N 2 2 331.460 1.579 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000646182956 453194977 /nfs/dbraw/zinc/19/49/77/453194977.db2.gz SVRNLBJAMXCQRI-GJZGRUSLSA-N 2 2 329.448 1.899 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1F ZINC000648717302 453204428 /nfs/dbraw/zinc/20/44/28/453204428.db2.gz RXHAXGXVULBQCD-GDBMZVCRSA-N 2 2 349.450 1.819 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1F ZINC000648717302 453204437 /nfs/dbraw/zinc/20/44/37/453204437.db2.gz RXHAXGXVULBQCD-GDBMZVCRSA-N 2 2 349.450 1.819 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000656495424 453225615 /nfs/dbraw/zinc/22/56/15/453225615.db2.gz QAEGQEOJKKCBJO-QGZVFWFLSA-N 2 2 348.472 1.869 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000656495424 453225620 /nfs/dbraw/zinc/22/56/20/453225620.db2.gz QAEGQEOJKKCBJO-QGZVFWFLSA-N 2 2 348.472 1.869 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000653077579 453257007 /nfs/dbraw/zinc/25/70/07/453257007.db2.gz DGYMQVBFERMLFE-HUUCEWRRSA-N 2 2 335.448 1.852 20 0 EDADLP COc1ccc(Br)c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653080113 453260136 /nfs/dbraw/zinc/26/01/36/453260136.db2.gz YJFOKGGDSABSPC-NSHDSACASA-N 2 2 330.226 1.675 20 0 EDADLP COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653102320 453285280 /nfs/dbraw/zinc/28/52/80/453285280.db2.gz VIYWKHUWZBIEJB-DGCLKSJQSA-N 2 2 347.419 1.201 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000653111655 453297371 /nfs/dbraw/zinc/29/73/71/453297371.db2.gz VUNOJHLLMITENV-INIZCTEOSA-N 2 2 329.448 1.548 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653113943 453301962 /nfs/dbraw/zinc/30/19/62/453301962.db2.gz SAPCEDHRNAFOQT-QZTJIDSGSA-N 3 2 334.508 1.192 20 0 EDADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653123135 453314847 /nfs/dbraw/zinc/31/48/47/453314847.db2.gz OXCHTBUWYCDTQV-CRAIPNDOSA-N 3 2 348.491 1.625 20 0 EDADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653123135 453314859 /nfs/dbraw/zinc/31/48/59/453314859.db2.gz OXCHTBUWYCDTQV-CRAIPNDOSA-N 3 2 348.491 1.625 20 0 EDADLP C[C@H]1C[NH+](CCN2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000660483484 453338306 /nfs/dbraw/zinc/33/83/06/453338306.db2.gz HLMVXHDUOYEMIW-BZSNNMDCSA-N 2 2 325.497 1.140 20 0 EDADLP O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660482589 453339532 /nfs/dbraw/zinc/33/95/32/453339532.db2.gz GLRGKBULINVGQI-FJIDUMEYSA-N 2 2 335.492 1.478 20 0 EDADLP O=C1N[C@@H]2CCCC[C@H]2C[C@@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660482589 453339541 /nfs/dbraw/zinc/33/95/41/453339541.db2.gz GLRGKBULINVGQI-FJIDUMEYSA-N 2 2 335.492 1.478 20 0 EDADLP CC(=O)NCC[NH+](Cc1ccc(C)s1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660488365 453342622 /nfs/dbraw/zinc/34/26/22/453342622.db2.gz SNHMRGKYOAZMLS-INIZCTEOSA-N 2 2 341.521 1.696 20 0 EDADLP CC(=O)NCC[NH+](Cc1ccc(C)s1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660488365 453342632 /nfs/dbraw/zinc/34/26/32/453342632.db2.gz SNHMRGKYOAZMLS-INIZCTEOSA-N 2 2 341.521 1.696 20 0 EDADLP CC(=O)NCC[N@H+](Cc1ccc(C)s1)C[C@@H](O)C[NH+](C)C(C)C ZINC000660488365 453342638 /nfs/dbraw/zinc/34/26/38/453342638.db2.gz SNHMRGKYOAZMLS-INIZCTEOSA-N 2 2 341.521 1.696 20 0 EDADLP CC(=O)NCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)C[NH+](C)C(C)C ZINC000660488365 453342646 /nfs/dbraw/zinc/34/26/46/453342646.db2.gz SNHMRGKYOAZMLS-INIZCTEOSA-N 2 2 341.521 1.696 20 0 EDADLP CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000653159623 453352600 /nfs/dbraw/zinc/35/26/00/453352600.db2.gz IPTPJXDPDNHKNK-NVXWUHKLSA-N 2 2 348.491 1.921 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000651198816 453353558 /nfs/dbraw/zinc/35/35/58/453353558.db2.gz KGPHDRPPJIMMPB-QGZVFWFLSA-N 2 2 346.475 1.475 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000651198816 453353566 /nfs/dbraw/zinc/35/35/66/453353566.db2.gz KGPHDRPPJIMMPB-QGZVFWFLSA-N 2 2 346.475 1.475 20 0 EDADLP C[C@@H]1SCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000653175208 453366582 /nfs/dbraw/zinc/36/65/82/453366582.db2.gz QWBDFZRORMHOOU-RRQGHBQHSA-N 2 2 344.484 1.811 20 0 EDADLP CCO[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1C[NH3+] ZINC000653247309 453432289 /nfs/dbraw/zinc/43/22/89/453432289.db2.gz VUUYFEIKYUWNKI-IAGOWNOFSA-N 2 2 328.416 1.367 20 0 EDADLP CCN(C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658828233 453446779 /nfs/dbraw/zinc/44/67/79/453446779.db2.gz BTTSSVKWVMRHLH-CABCVRRESA-N 2 2 347.463 1.058 20 0 EDADLP CCN(C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658828233 453446787 /nfs/dbraw/zinc/44/67/87/453446787.db2.gz BTTSSVKWVMRHLH-CABCVRRESA-N 2 2 347.463 1.058 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000662740996 453466760 /nfs/dbraw/zinc/46/67/60/453466760.db2.gz BQHZQZQQQPSJNI-SFHVURJKSA-N 2 2 330.476 1.061 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000662740996 453466763 /nfs/dbraw/zinc/46/67/63/453466763.db2.gz BQHZQZQQQPSJNI-SFHVURJKSA-N 2 2 330.476 1.061 20 0 EDADLP CSc1cccnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651322448 453469418 /nfs/dbraw/zinc/46/94/18/453469418.db2.gz RIELIUHMZVCWBN-CYBMUJFWSA-N 2 2 334.489 1.702 20 0 EDADLP CSc1cccnc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651322448 453469423 /nfs/dbraw/zinc/46/94/23/453469423.db2.gz RIELIUHMZVCWBN-CYBMUJFWSA-N 2 2 334.489 1.702 20 0 EDADLP COC1CC[NH+](CCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662744962 453472990 /nfs/dbraw/zinc/47/29/90/453472990.db2.gz BUHAJPTVIQHQNM-HNNXBMFYSA-N 2 2 327.375 1.192 20 0 EDADLP C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664916593 453480904 /nfs/dbraw/zinc/48/09/04/453480904.db2.gz PZHJRJBBPMZFAV-WMLDXEAASA-N 2 2 334.464 1.691 20 0 EDADLP C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664916593 453480912 /nfs/dbraw/zinc/48/09/12/453480912.db2.gz PZHJRJBBPMZFAV-WMLDXEAASA-N 2 2 334.464 1.691 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664919490 453484065 /nfs/dbraw/zinc/48/40/65/453484065.db2.gz GMHGXDTZWQRAIZ-KBPBESRZSA-N 2 2 339.484 1.508 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664919490 453484069 /nfs/dbraw/zinc/48/40/69/453484069.db2.gz GMHGXDTZWQRAIZ-KBPBESRZSA-N 2 2 339.484 1.508 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660652953 453490767 /nfs/dbraw/zinc/49/07/67/453490767.db2.gz NHTVCVOQGHQZBD-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660652953 453490774 /nfs/dbraw/zinc/49/07/74/453490774.db2.gz NHTVCVOQGHQZBD-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660652953 453490780 /nfs/dbraw/zinc/49/07/80/453490780.db2.gz NHTVCVOQGHQZBD-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660652953 453490788 /nfs/dbraw/zinc/49/07/88/453490788.db2.gz NHTVCVOQGHQZBD-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000660660562 453498566 /nfs/dbraw/zinc/49/85/66/453498566.db2.gz XAWGQHAQEOUWBO-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000660660562 453498573 /nfs/dbraw/zinc/49/85/73/453498573.db2.gz XAWGQHAQEOUWBO-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000660660562 453498578 /nfs/dbraw/zinc/49/85/78/453498578.db2.gz XAWGQHAQEOUWBO-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000660660562 453498584 /nfs/dbraw/zinc/49/85/84/453498584.db2.gz XAWGQHAQEOUWBO-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP CCC[N@H+](C)Cc1nc(-c2ccc(N3CC[NH+](C)CC3)cn2)no1 ZINC000664943066 453508209 /nfs/dbraw/zinc/50/82/09/453508209.db2.gz XVILKYJWUNCSKE-UHFFFAOYSA-N 2 2 330.436 1.725 20 0 EDADLP CCC[N@@H+](C)Cc1nc(-c2ccc(N3CC[NH+](C)CC3)cn2)no1 ZINC000664943066 453508218 /nfs/dbraw/zinc/50/82/18/453508218.db2.gz XVILKYJWUNCSKE-UHFFFAOYSA-N 2 2 330.436 1.725 20 0 EDADLP [NH3+]Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)co1 ZINC000662849034 453569323 /nfs/dbraw/zinc/56/93/23/453569323.db2.gz DZRXYKQGDIQONX-MSOLQXFVSA-N 2 2 341.411 1.464 20 0 EDADLP [NH3+]Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)co1 ZINC000662849034 453569331 /nfs/dbraw/zinc/56/93/31/453569331.db2.gz DZRXYKQGDIQONX-MSOLQXFVSA-N 2 2 341.411 1.464 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850082 453570921 /nfs/dbraw/zinc/57/09/21/453570921.db2.gz MVJUDYNXNPXJLY-OKYOBFRVSA-N 2 2 343.471 1.486 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850082 453570923 /nfs/dbraw/zinc/57/09/23/453570923.db2.gz MVJUDYNXNPXJLY-OKYOBFRVSA-N 2 2 343.471 1.486 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659022417 453585167 /nfs/dbraw/zinc/58/51/67/453585167.db2.gz QZGGGUHXXALVJK-INIZCTEOSA-N 2 2 346.431 1.107 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659022418 453585233 /nfs/dbraw/zinc/58/52/33/453585233.db2.gz QZGGGUHXXALVJK-MRXNPFEDSA-N 2 2 346.431 1.107 20 0 EDADLP CN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900519 453593237 /nfs/dbraw/zinc/59/32/37/453593237.db2.gz MQMCXJKRRXYTEJ-GOSISDBHSA-N 3 2 336.524 1.393 20 0 EDADLP CN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900519 453593240 /nfs/dbraw/zinc/59/32/40/453593240.db2.gz MQMCXJKRRXYTEJ-GOSISDBHSA-N 3 2 336.524 1.393 20 0 EDADLP [NH3+][C@@H](CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)CC1CCCCC1 ZINC000662908407 453597546 /nfs/dbraw/zinc/59/75/46/453597546.db2.gz UHCPRHGSGVJLAB-ROUUACIJSA-N 2 2 336.524 1.570 20 0 EDADLP [NH3+][C@@H](CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)CC1CCCCC1 ZINC000662908407 453597548 /nfs/dbraw/zinc/59/75/48/453597548.db2.gz UHCPRHGSGVJLAB-ROUUACIJSA-N 2 2 336.524 1.570 20 0 EDADLP [NH3+][C@@H](CCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)CC1CCCCC1 ZINC000662908409 453597711 /nfs/dbraw/zinc/59/77/11/453597711.db2.gz UHCPRHGSGVJLAB-ZWKOTPCHSA-N 2 2 336.524 1.570 20 0 EDADLP [NH3+][C@@H](CCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)CC1CCCCC1 ZINC000662908409 453597713 /nfs/dbraw/zinc/59/77/13/453597713.db2.gz UHCPRHGSGVJLAB-ZWKOTPCHSA-N 2 2 336.524 1.570 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662911389 453599553 /nfs/dbraw/zinc/59/95/53/453599553.db2.gz SNQSIPYWYGXNHR-KURKYZTESA-N 2 2 335.492 1.478 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)[C@H](C[NH3+])C1 ZINC000659051825 453600653 /nfs/dbraw/zinc/60/06/53/453600653.db2.gz REOSAFIPNUYXJB-OCCSQVGLSA-N 2 2 340.374 1.580 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000662939463 453614290 /nfs/dbraw/zinc/61/42/90/453614290.db2.gz OCIZSUCHIDITFW-UHFFFAOYSA-N 2 2 349.479 1.098 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000659133932 453650129 /nfs/dbraw/zinc/65/01/29/453650129.db2.gz YFYQAWPGNQYKKP-GJZGRUSLSA-N 2 2 347.463 1.452 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660949678 453658969 /nfs/dbraw/zinc/65/89/69/453658969.db2.gz GHZAQFQHEHVIFZ-CABCVRRESA-N 2 2 331.464 1.832 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660949678 453658974 /nfs/dbraw/zinc/65/89/74/453658974.db2.gz GHZAQFQHEHVIFZ-CABCVRRESA-N 2 2 331.464 1.832 20 0 EDADLP C=Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657091347 453673992 /nfs/dbraw/zinc/67/39/92/453673992.db2.gz MURUWJXXOJROKW-UHFFFAOYSA-N 2 2 325.478 1.491 20 0 EDADLP C=Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657091347 453673995 /nfs/dbraw/zinc/67/39/95/453673995.db2.gz MURUWJXXOJROKW-UHFFFAOYSA-N 2 2 325.478 1.491 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000661011429 453680879 /nfs/dbraw/zinc/68/08/79/453680879.db2.gz XTPLAMGTULPGFY-QGZVFWFLSA-N 2 2 343.431 1.318 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000661011429 453680883 /nfs/dbraw/zinc/68/08/83/453680883.db2.gz XTPLAMGTULPGFY-QGZVFWFLSA-N 2 2 343.431 1.318 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000661011429 453680889 /nfs/dbraw/zinc/68/08/89/453680889.db2.gz XTPLAMGTULPGFY-QGZVFWFLSA-N 2 2 343.431 1.318 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000661011429 453680894 /nfs/dbraw/zinc/68/08/94/453680894.db2.gz XTPLAMGTULPGFY-QGZVFWFLSA-N 2 2 343.431 1.318 20 0 EDADLP CC(C)(C)CN1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000663304580 453762664 /nfs/dbraw/zinc/76/26/64/453762664.db2.gz RODNOSVUFQFIOW-SJORKVTESA-N 2 2 337.508 1.866 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661274575 453780026 /nfs/dbraw/zinc/78/00/26/453780026.db2.gz BXKRBMOFWLKPQK-ZFWWWQNUSA-N 2 2 335.452 1.517 20 0 EDADLP O=C(NC1CC[NH+](C2CCC2)CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661289531 453785235 /nfs/dbraw/zinc/78/52/35/453785235.db2.gz PCPFHULUXGTIPG-KRWDZBQOSA-N 2 2 336.480 1.119 20 0 EDADLP Cc1cc(C(F)(F)F)cc(N2CCN(C(=O)C[NH+](C)C)CC2)[nH+]1 ZINC000663384641 453786158 /nfs/dbraw/zinc/78/61/58/453786158.db2.gz MHAUBTUZPFRBFJ-UHFFFAOYSA-N 2 2 330.354 1.619 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000663439337 453799046 /nfs/dbraw/zinc/79/90/46/453799046.db2.gz OIWYFEQEEXUHDL-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000663439337 453799047 /nfs/dbraw/zinc/79/90/47/453799047.db2.gz OIWYFEQEEXUHDL-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H](C)CO1 ZINC000663447691 453801174 /nfs/dbraw/zinc/80/11/74/453801174.db2.gz IQSCIMHLMFOMEZ-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H](C)CO1 ZINC000663447691 453801175 /nfs/dbraw/zinc/80/11/75/453801175.db2.gz IQSCIMHLMFOMEZ-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC000663518489 453814862 /nfs/dbraw/zinc/81/48/62/453814862.db2.gz MHLCCNMBYQUJJP-HNNXBMFYSA-N 2 2 332.448 1.934 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000663524782 453815801 /nfs/dbraw/zinc/81/58/01/453815801.db2.gz XDDZDZILUAGDSV-MRXNPFEDSA-N 2 2 345.422 1.852 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000414957584 486734625 /nfs/dbraw/zinc/73/46/25/486734625.db2.gz QDNJUYVZKNYIIY-HZPDHXFCSA-N 2 2 332.448 1.910 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncnc4[nH]ccc43)CC2)CC1 ZINC000667642249 486894826 /nfs/dbraw/zinc/89/48/26/486894826.db2.gz UQBCWJDOLOIDOD-UHFFFAOYSA-N 2 2 342.447 1.198 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@]34C[C@@H]3COC4(C)C)CC2)CC1 ZINC000667641876 486893630 /nfs/dbraw/zinc/89/36/30/486893630.db2.gz GTLYDFQVONYQIX-AUUYWEPGSA-N 2 2 335.492 1.476 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(CO)cc3)CC2)CC1 ZINC000667642018 486893643 /nfs/dbraw/zinc/89/36/43/486893643.db2.gz MAYJSIJDNLHWED-UHFFFAOYSA-N 2 2 331.460 1.467 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000677114534 486978558 /nfs/dbraw/zinc/97/85/58/486978558.db2.gz OIZWAIYJKJGLSX-JKSUJKDBSA-N 2 2 331.464 1.832 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)sc2n1 ZINC000322138117 487040108 /nfs/dbraw/zinc/04/01/08/487040108.db2.gz VUGZOCZPTGNDJX-CHWSQXEVSA-N 2 2 333.461 1.423 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)sc2n1 ZINC000322138117 487040112 /nfs/dbraw/zinc/04/01/12/487040112.db2.gz VUGZOCZPTGNDJX-CHWSQXEVSA-N 2 2 333.461 1.423 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000684469373 487071130 /nfs/dbraw/zinc/07/11/30/487071130.db2.gz LIJMRTNRAQYDGF-UHFFFAOYSA-N 2 2 342.443 1.948 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000673662092 487082301 /nfs/dbraw/zinc/08/23/01/487082301.db2.gz NDVVQGSOMWEUIS-IRXDYDNUSA-N 2 2 347.507 1.810 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)[nH+]c12 ZINC000673780726 487112953 /nfs/dbraw/zinc/11/29/53/487112953.db2.gz AFEOVSHVZMUEGP-QGZVFWFLSA-N 2 2 339.443 1.841 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000677535990 487113144 /nfs/dbraw/zinc/11/31/44/487113144.db2.gz QULLLHSQQBMTBR-DZOHQFGASA-N 2 2 346.475 1.450 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000677535990 487113148 /nfs/dbraw/zinc/11/31/48/487113148.db2.gz QULLLHSQQBMTBR-DZOHQFGASA-N 2 2 346.475 1.450 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000677535990 487113150 /nfs/dbraw/zinc/11/31/50/487113150.db2.gz QULLLHSQQBMTBR-DZOHQFGASA-N 2 2 346.475 1.450 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000677535990 487113153 /nfs/dbraw/zinc/11/31/53/487113153.db2.gz QULLLHSQQBMTBR-DZOHQFGASA-N 2 2 346.475 1.450 20 0 EDADLP O=S1(=O)CC[C@H](CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000677695546 487152439 /nfs/dbraw/zinc/15/24/39/487152439.db2.gz XGVDAWIDPXPLKC-UXLLHSPISA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000677695546 487152442 /nfs/dbraw/zinc/15/24/42/487152442.db2.gz XGVDAWIDPXPLKC-UXLLHSPISA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000677695546 487152445 /nfs/dbraw/zinc/15/24/45/487152445.db2.gz XGVDAWIDPXPLKC-UXLLHSPISA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000677695546 487152448 /nfs/dbraw/zinc/15/24/48/487152448.db2.gz XGVDAWIDPXPLKC-UXLLHSPISA-N 2 2 326.506 1.760 20 0 EDADLP COC[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000674467729 487262786 /nfs/dbraw/zinc/26/27/86/487262786.db2.gz USPXEIKOFABYON-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP COC[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000674467729 487262789 /nfs/dbraw/zinc/26/27/89/487262789.db2.gz USPXEIKOFABYON-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP O=C(NC1CC1)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000678279041 487280856 /nfs/dbraw/zinc/28/08/56/487280856.db2.gz GJFAQTZDYZHOIV-QGZVFWFLSA-N 2 2 343.471 1.733 20 0 EDADLP O=C(NC1CC1)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000678279041 487280859 /nfs/dbraw/zinc/28/08/59/487280859.db2.gz GJFAQTZDYZHOIV-QGZVFWFLSA-N 2 2 343.471 1.733 20 0 EDADLP CC(C)Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000674604435 487286223 /nfs/dbraw/zinc/28/62/23/487286223.db2.gz KGBKTRRGEQHQRP-MRXNPFEDSA-N 2 2 345.491 1.800 20 0 EDADLP CC(C)Nc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000674604435 487286227 /nfs/dbraw/zinc/28/62/27/487286227.db2.gz KGBKTRRGEQHQRP-MRXNPFEDSA-N 2 2 345.491 1.800 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000674747019 487308699 /nfs/dbraw/zinc/30/86/99/487308699.db2.gz VTIFTDFYDAAXEI-UHFFFAOYSA-N 2 2 325.416 1.374 20 0 EDADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000527248080 487308401 /nfs/dbraw/zinc/30/84/01/487308401.db2.gz PXDXUBARXAIJJB-CRAIPNDOSA-N 2 2 342.443 1.748 20 0 EDADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000527248080 487308404 /nfs/dbraw/zinc/30/84/04/487308404.db2.gz PXDXUBARXAIJJB-CRAIPNDOSA-N 2 2 342.443 1.748 20 0 EDADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000527248080 487308407 /nfs/dbraw/zinc/30/84/07/487308407.db2.gz PXDXUBARXAIJJB-CRAIPNDOSA-N 2 2 342.443 1.748 20 0 EDADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000527248080 487308410 /nfs/dbraw/zinc/30/84/10/487308410.db2.gz PXDXUBARXAIJJB-CRAIPNDOSA-N 2 2 342.443 1.748 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000682362164 487352544 /nfs/dbraw/zinc/35/25/44/487352544.db2.gz QHNLQHUYMJYSCI-OAHLLOKOSA-N 2 2 325.840 1.079 20 0 EDADLP Cc1nc2ccccn2c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000675247416 487392837 /nfs/dbraw/zinc/39/28/37/487392837.db2.gz FZEVXNLJMDVDBT-KRWDZBQOSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1nc2ccccn2c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000675247416 487392839 /nfs/dbraw/zinc/39/28/39/487392839.db2.gz FZEVXNLJMDVDBT-KRWDZBQOSA-N 2 2 327.476 1.855 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000679294794 487410358 /nfs/dbraw/zinc/41/03/58/487410358.db2.gz HQHWZSZIZQXQQU-WBVHZDCISA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000679294794 487410359 /nfs/dbraw/zinc/41/03/59/487410359.db2.gz HQHWZSZIZQXQQU-WBVHZDCISA-N 2 2 338.496 1.221 20 0 EDADLP CN(C(=O)c1cn(C(C)(C)C)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682899763 487427793 /nfs/dbraw/zinc/42/77/93/487427793.db2.gz LSKLORKPCBVPIV-OAHLLOKOSA-N 2 2 348.495 1.274 20 0 EDADLP CN(C(=O)c1cn(C(C)(C)C)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682899763 487427795 /nfs/dbraw/zinc/42/77/95/487427795.db2.gz LSKLORKPCBVPIV-OAHLLOKOSA-N 2 2 348.495 1.274 20 0 EDADLP CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000679575685 487440278 /nfs/dbraw/zinc/44/02/78/487440278.db2.gz SIPHKRHEBOVABL-AEFFLSMTSA-N 2 2 332.492 1.701 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000675782219 487443658 /nfs/dbraw/zinc/44/36/58/487443658.db2.gz OGYQZLYNGRZPQQ-HNNXBMFYSA-N 2 2 337.851 1.917 20 0 EDADLP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)CCCO2 ZINC000675782032 487443873 /nfs/dbraw/zinc/44/38/73/487443873.db2.gz KRRYZAHUZXDZRJ-KRWDZBQOSA-N 2 2 331.460 1.881 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)CC1 ZINC000675974911 487463075 /nfs/dbraw/zinc/46/30/75/487463075.db2.gz CBJUGGQJNYORSW-CQSZACIVSA-N 2 2 341.459 1.515 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[NH2+][C@H]1C)C1CCOCC1 ZINC000669583241 485631144 /nfs/dbraw/zinc/63/11/44/485631144.db2.gz VVIOABCZNSYCKS-NUEKZKHPSA-N 2 2 349.479 1.810 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000668497366 485808251 /nfs/dbraw/zinc/80/82/51/485808251.db2.gz QYJZPKRRSAGYFG-CQSZACIVSA-N 2 2 344.381 1.532 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000668497366 485808256 /nfs/dbraw/zinc/80/82/56/485808256.db2.gz QYJZPKRRSAGYFG-CQSZACIVSA-N 2 2 344.381 1.532 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCOC(C)(C)C)C1 ZINC000676042859 485904360 /nfs/dbraw/zinc/90/43/60/485904360.db2.gz FKUJZVXJJDESRH-MRXNPFEDSA-N 2 2 343.512 1.206 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCOC(C)(C)C)C1 ZINC000676042859 485904364 /nfs/dbraw/zinc/90/43/64/485904364.db2.gz FKUJZVXJJDESRH-MRXNPFEDSA-N 2 2 343.512 1.206 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCOC(C)(C)C)C1 ZINC000676042859 485904372 /nfs/dbraw/zinc/90/43/72/485904372.db2.gz FKUJZVXJJDESRH-MRXNPFEDSA-N 2 2 343.512 1.206 20 0 EDADLP O=C(NCC[NH2+]C1CC1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000668586119 485921341 /nfs/dbraw/zinc/92/13/41/485921341.db2.gz GQXQTOMICXLKBS-AWEZNQCLSA-N 2 2 338.477 1.173 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000237441548 485983949 /nfs/dbraw/zinc/98/39/49/485983949.db2.gz SJBKVOUPRZXZBA-XOUADPBQSA-N 2 2 332.448 1.439 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC(C)(C)[NH3+] ZINC000237503665 485988273 /nfs/dbraw/zinc/98/82/73/485988273.db2.gz RRZZOHISOCHSCE-INIZCTEOSA-N 2 2 333.476 1.863 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2cccnc2n1 ZINC000668686931 486046719 /nfs/dbraw/zinc/04/67/19/486046719.db2.gz AWDXPUHTTHGPJL-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2cccnc2n1 ZINC000668686931 486046723 /nfs/dbraw/zinc/04/67/23/486046723.db2.gz AWDXPUHTTHGPJL-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncoc1-c1ccon1 ZINC000668689340 486049675 /nfs/dbraw/zinc/04/96/75/486049675.db2.gz QEVHDSILJCGUQQ-UHFFFAOYSA-N 2 2 347.419 1.428 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncoc1-c1ccon1 ZINC000668689340 486049682 /nfs/dbraw/zinc/04/96/82/486049682.db2.gz QEVHDSILJCGUQQ-UHFFFAOYSA-N 2 2 347.419 1.428 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000669399192 486061537 /nfs/dbraw/zinc/06/15/37/486061537.db2.gz IRKBFLSJCYVOTH-ROUUACIJSA-N 2 2 346.475 1.420 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNc2nc(C)[nH+]c(C)c2Br)C1 ZINC000322844587 486153778 /nfs/dbraw/zinc/15/37/78/486153778.db2.gz RXLLUJJGVKAGAN-NSHDSACASA-N 2 2 329.242 1.989 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNc2nc(C)[nH+]c(C)c2Br)C1 ZINC000322844587 486153783 /nfs/dbraw/zinc/15/37/83/486153783.db2.gz RXLLUJJGVKAGAN-NSHDSACASA-N 2 2 329.242 1.989 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669484229 486249808 /nfs/dbraw/zinc/24/98/08/486249808.db2.gz KTEXSGLQCHJRIS-ZOBUZTSGSA-N 3 2 337.512 1.066 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669484229 486249810 /nfs/dbraw/zinc/24/98/10/486249810.db2.gz KTEXSGLQCHJRIS-ZOBUZTSGSA-N 3 2 337.512 1.066 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000668846570 486255717 /nfs/dbraw/zinc/25/57/17/486255717.db2.gz YKVWBSRPTOJGNF-NJAFHUGGSA-N 2 2 346.475 1.357 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000668873826 486286013 /nfs/dbraw/zinc/28/60/13/486286013.db2.gz ABGZXRZUGNVYEH-JKSUJKDBSA-N 2 2 327.432 1.951 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000670082450 486608026 /nfs/dbraw/zinc/60/80/26/486608026.db2.gz PTCUJVDXRHSFHN-HNNXBMFYSA-N 2 2 331.464 1.909 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc([S@](C)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354036308 491000694 /nfs/dbraw/zinc/00/06/94/491000694.db2.gz GVSWWDMPVPOCTF-MTJJIEKYSA-N 2 2 349.544 1.882 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc([S@](C)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354036308 491000695 /nfs/dbraw/zinc/00/06/95/491000695.db2.gz GVSWWDMPVPOCTF-MTJJIEKYSA-N 2 2 349.544 1.882 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[NH+](C)C ZINC000078737445 491002378 /nfs/dbraw/zinc/00/23/78/491002378.db2.gz ONGPUBGOEDIQHS-QWHCGFSZSA-N 2 2 325.403 1.996 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[NH+](C)C ZINC000078737445 491002379 /nfs/dbraw/zinc/00/23/79/491002379.db2.gz ONGPUBGOEDIQHS-QWHCGFSZSA-N 2 2 325.403 1.996 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H](O)C1CC1 ZINC000305253823 491010598 /nfs/dbraw/zinc/01/05/98/491010598.db2.gz VWGPVEQJWBKEBV-INIZCTEOSA-N 2 2 337.489 1.095 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H](O)C1CC1 ZINC000305253823 491010599 /nfs/dbraw/zinc/01/05/99/491010599.db2.gz VWGPVEQJWBKEBV-INIZCTEOSA-N 2 2 337.489 1.095 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529329356 500865086 /nfs/dbraw/zinc/86/50/86/500865086.db2.gz ZGARTPJUNPEQGQ-INIZCTEOSA-N 2 2 348.447 1.390 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000132201866 534830089 /nfs/dbraw/zinc/83/00/89/534830089.db2.gz XILGADJKYWAWHH-ZBFHGGJFSA-N 2 2 326.872 1.931 20 0 EDADLP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000332070244 534839604 /nfs/dbraw/zinc/83/96/04/534839604.db2.gz VEJLJBYCMJJIOH-BOMAWHNGSA-N 2 2 347.507 1.840 20 0 EDADLP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000332070244 534839606 /nfs/dbraw/zinc/83/96/06/534839606.db2.gz VEJLJBYCMJJIOH-BOMAWHNGSA-N 2 2 347.507 1.840 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090592325 534913516 /nfs/dbraw/zinc/91/35/16/534913516.db2.gz LTNZNMIIMQRRAU-HZPDHXFCSA-N 2 2 349.479 1.592 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090592325 534913520 /nfs/dbraw/zinc/91/35/20/534913520.db2.gz LTNZNMIIMQRRAU-HZPDHXFCSA-N 2 2 349.479 1.592 20 0 EDADLP CCO[C@H](C)c1noc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000177384768 528019788 /nfs/dbraw/zinc/01/97/88/528019788.db2.gz JJEXYVUVVYYNAW-CQSZACIVSA-N 2 2 339.484 1.625 20 0 EDADLP CCO[C@H](C)c1noc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000177384768 528019798 /nfs/dbraw/zinc/01/97/98/528019798.db2.gz JJEXYVUVVYYNAW-CQSZACIVSA-N 2 2 339.484 1.625 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340179412 535125966 /nfs/dbraw/zinc/12/59/66/535125966.db2.gz AHADPXTYDYKCQS-OFLPRAFFSA-N 2 2 346.537 1.536 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340179412 535125971 /nfs/dbraw/zinc/12/59/71/535125971.db2.gz AHADPXTYDYKCQS-OFLPRAFFSA-N 2 2 346.537 1.536 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)CC1 ZINC000345209618 535145059 /nfs/dbraw/zinc/14/50/59/535145059.db2.gz VPBFQBMLRKMWAZ-UHFFFAOYSA-N 2 2 337.468 1.603 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)CCO1 ZINC000333820782 535355875 /nfs/dbraw/zinc/35/58/75/535355875.db2.gz JTFAWJVRCYMBSF-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)CCO1 ZINC000333820782 535355880 /nfs/dbraw/zinc/35/58/80/535355880.db2.gz JTFAWJVRCYMBSF-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448023 535542898 /nfs/dbraw/zinc/54/28/98/535542898.db2.gz MNPVAOGTKCHMQR-IRXDYDNUSA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448023 535542903 /nfs/dbraw/zinc/54/29/03/535542903.db2.gz MNPVAOGTKCHMQR-IRXDYDNUSA-N 2 2 325.497 1.726 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000076003831 535597639 /nfs/dbraw/zinc/59/76/39/535597639.db2.gz IYHNNBDDEOAQSY-OAHLLOKOSA-N 2 2 336.480 1.515 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000076003831 535597644 /nfs/dbraw/zinc/59/76/44/535597644.db2.gz IYHNNBDDEOAQSY-OAHLLOKOSA-N 2 2 336.480 1.515 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000074057423 535634744 /nfs/dbraw/zinc/63/47/44/535634744.db2.gz YJYDBFGMVYLKBT-ZDUSSCGKSA-N 2 2 325.403 1.949 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2)CC1 ZINC000074057423 535634748 /nfs/dbraw/zinc/63/47/48/535634748.db2.gz YJYDBFGMVYLKBT-ZDUSSCGKSA-N 2 2 325.403 1.949 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000340181671 535731145 /nfs/dbraw/zinc/73/11/45/535731145.db2.gz WQIJIGXNPRGPCR-WMLDXEAASA-N 2 2 346.454 1.649 20 0 EDADLP CCC[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@@H+]1CCOC ZINC000270980203 535735779 /nfs/dbraw/zinc/73/57/79/535735779.db2.gz SZHMWGBNFIFSDQ-KRWDZBQOSA-N 2 2 344.459 1.836 20 0 EDADLP CCC[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@H+]1CCOC ZINC000270980203 535735785 /nfs/dbraw/zinc/73/57/85/535735785.db2.gz SZHMWGBNFIFSDQ-KRWDZBQOSA-N 2 2 344.459 1.836 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000271245533 535738581 /nfs/dbraw/zinc/73/85/81/535738581.db2.gz CJQWMHHGYDAWSC-NHCUHLMSSA-N 2 2 342.531 1.973 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000271245533 535738585 /nfs/dbraw/zinc/73/85/85/535738585.db2.gz CJQWMHHGYDAWSC-NHCUHLMSSA-N 2 2 342.531 1.973 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000353414694 535778307 /nfs/dbraw/zinc/77/83/07/535778307.db2.gz UPCVVHJXKFLHFA-SFHVURJKSA-N 2 2 342.491 1.859 20 0 EDADLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1Cl ZINC000237198089 535909344 /nfs/dbraw/zinc/90/93/44/535909344.db2.gz JQJJTMDOGSIQMG-ZDUSSCGKSA-N 2 2 327.812 1.207 20 0 EDADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000121112230 535971772 /nfs/dbraw/zinc/97/17/72/535971772.db2.gz RARPHFIMMKFFTR-OAHLLOKOSA-N 2 2 339.827 1.100 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCc2nnc3n2CCCCC3)s1 ZINC000352813090 536056880 /nfs/dbraw/zinc/05/68/80/536056880.db2.gz JJZMYVZTXJOYQV-UHFFFAOYSA-N 2 2 334.493 1.855 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)s1 ZINC000352781201 536057600 /nfs/dbraw/zinc/05/76/00/536057600.db2.gz YSIFHFVNWVIFQN-UHFFFAOYSA-N 2 2 347.488 1.726 20 0 EDADLP CC[C@H]1CC[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000339484153 536088951 /nfs/dbraw/zinc/08/89/51/536088951.db2.gz XZVYCCPGBLXCQP-MPBYHJMHSA-N 2 2 335.492 1.713 20 0 EDADLP CC[C@H]1CC[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000339484153 536088958 /nfs/dbraw/zinc/08/89/58/536088958.db2.gz XZVYCCPGBLXCQP-MPBYHJMHSA-N 2 2 335.492 1.713 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([N@H+](C)CCO)[C@@H]1C ZINC000347083718 536159377 /nfs/dbraw/zinc/15/93/77/536159377.db2.gz LIJTVJOCISKRJH-HOCLYGCPSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([N@@H+](C)CCO)[C@@H]1C ZINC000347083718 536159381 /nfs/dbraw/zinc/15/93/81/536159381.db2.gz LIJTVJOCISKRJH-HOCLYGCPSA-N 2 2 344.459 1.512 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCCn2cc[nH+]c2)([NH+]2CCCCC2)CC1 ZINC000080599458 536338828 /nfs/dbraw/zinc/33/88/28/536338828.db2.gz IHFAIBOGOTYDPO-UHFFFAOYSA-N 3 2 348.495 1.133 20 0 EDADLP C[NH+]1CCC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000047885905 536342099 /nfs/dbraw/zinc/34/20/99/536342099.db2.gz JNNOCUNOAVYMEL-UHFFFAOYSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000195157146 536367763 /nfs/dbraw/zinc/36/77/63/536367763.db2.gz LWAAATWHUAIOCF-QGZVFWFLSA-N 2 2 329.444 1.360 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000195157146 536367765 /nfs/dbraw/zinc/36/77/65/536367765.db2.gz LWAAATWHUAIOCF-QGZVFWFLSA-N 2 2 329.444 1.360 20 0 EDADLP COc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc(Cl)c1OC ZINC000347173592 536744527 /nfs/dbraw/zinc/74/45/27/536744527.db2.gz PIGNLUCYVVLSSF-UHFFFAOYSA-N 2 2 341.839 1.221 20 0 EDADLP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc(Cl)c1OC ZINC000347173592 536744532 /nfs/dbraw/zinc/74/45/32/536744532.db2.gz PIGNLUCYVVLSSF-UHFFFAOYSA-N 2 2 341.839 1.221 20 0 EDADLP COc1cc(CN2CC[C@H]([NH2+][C@H]3C[N@H+](C)C[C@@H]3C)C2)cc(OC)c1 ZINC000344900834 536771264 /nfs/dbraw/zinc/77/12/64/536771264.db2.gz GTUMNAHRSYFCAI-QOKNQOGYSA-N 2 2 333.476 1.818 20 0 EDADLP COc1cc(CN2CC[C@H]([NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc(OC)c1 ZINC000344900834 536771270 /nfs/dbraw/zinc/77/12/70/536771270.db2.gz GTUMNAHRSYFCAI-QOKNQOGYSA-N 2 2 333.476 1.818 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)([NH+](C)C)C1 ZINC000726256642 578339235 /nfs/dbraw/zinc/33/92/35/578339235.db2.gz ZNXJEKZSXKJGLI-NUJGCVRESA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)([NH+](C)C)C1 ZINC000726256642 578339236 /nfs/dbraw/zinc/33/92/36/578339236.db2.gz ZNXJEKZSXKJGLI-NUJGCVRESA-N 2 2 340.512 1.517 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1C ZINC000726257910 578339736 /nfs/dbraw/zinc/33/97/36/578339736.db2.gz QOXHRGRYULAIRG-CYBMUJFWSA-N 2 2 336.436 1.227 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)c1C ZINC000726257910 578339737 /nfs/dbraw/zinc/33/97/37/578339737.db2.gz QOXHRGRYULAIRG-CYBMUJFWSA-N 2 2 336.436 1.227 20 0 EDADLP C[C@@H](c1cccc(NC(=S)NCC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000729162588 578560405 /nfs/dbraw/zinc/56/04/05/578560405.db2.gz FHJOOESNCZXVJP-AWEZNQCLSA-N 2 2 336.505 1.928 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)CCN1c1nc2ccccc2o1 ZINC000729929479 578602449 /nfs/dbraw/zinc/60/24/49/578602449.db2.gz XQMUOUPFEFKVOH-HZPDHXFCSA-N 2 2 344.459 1.795 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CCN1c1nc2ccccc2o1 ZINC000729929479 578602451 /nfs/dbraw/zinc/60/24/51/578602451.db2.gz XQMUOUPFEFKVOH-HZPDHXFCSA-N 2 2 344.459 1.795 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000729929714 578602658 /nfs/dbraw/zinc/60/26/58/578602658.db2.gz OIBMYGPFUIVKQC-AWEZNQCLSA-N 2 2 341.415 1.566 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000729929714 578602659 /nfs/dbraw/zinc/60/26/59/578602659.db2.gz OIBMYGPFUIVKQC-AWEZNQCLSA-N 2 2 341.415 1.566 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3CCSC3=O)CC2)CC1 ZINC000760286532 580027148 /nfs/dbraw/zinc/02/71/48/580027148.db2.gz TUTXMSYWKQAAOI-UHFFFAOYSA-N 2 2 326.510 1.603 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000733154648 578744325 /nfs/dbraw/zinc/74/43/25/578744325.db2.gz SOAYCDNDQAAMHW-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000734099695 578798621 /nfs/dbraw/zinc/79/86/21/578798621.db2.gz QWKWKKUOTDDBSS-HNNXBMFYSA-N 2 2 335.521 1.586 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3COc4ccccc43)C2)CC1 ZINC000734271678 578805985 /nfs/dbraw/zinc/80/59/85/578805985.db2.gz DQIMTXZMLSVNAZ-YOEHRIQHSA-N 2 2 344.459 1.588 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3COc4ccccc43)C2)CC1 ZINC000734271678 578805986 /nfs/dbraw/zinc/80/59/86/578805986.db2.gz DQIMTXZMLSVNAZ-YOEHRIQHSA-N 2 2 344.459 1.588 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000760876441 580040426 /nfs/dbraw/zinc/04/04/26/580040426.db2.gz REKOEUGWWRPPKV-MRXNPFEDSA-N 2 2 346.431 1.293 20 0 EDADLP CCOC(=O)C1=C(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)NC(=O)N[C@H]1C ZINC000735871279 578930908 /nfs/dbraw/zinc/93/09/08/578930908.db2.gz YJZWKZJMVHBBKY-NSHDSACASA-N 2 2 347.419 1.108 20 0 EDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000736197210 578962336 /nfs/dbraw/zinc/96/23/36/578962336.db2.gz LUFCVNPDTRBHRC-CABCVRRESA-N 2 2 342.447 1.582 20 0 EDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000736197210 578962337 /nfs/dbraw/zinc/96/23/37/578962337.db2.gz LUFCVNPDTRBHRC-CABCVRRESA-N 2 2 342.447 1.582 20 0 EDADLP CN(C)c1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c[nH+]1 ZINC000736779794 579019539 /nfs/dbraw/zinc/01/95/39/579019539.db2.gz MDTZJSRDOUPMCW-UHFFFAOYSA-N 2 2 346.398 1.910 20 0 EDADLP C[C@H]1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CCC1 ZINC000761302909 580054449 /nfs/dbraw/zinc/05/44/49/580054449.db2.gz LRKNYJJCXFHLFY-XJKSGUPXSA-N 2 2 334.464 1.360 20 0 EDADLP C[C@H]1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CCC1 ZINC000761302909 580054450 /nfs/dbraw/zinc/05/44/50/580054450.db2.gz LRKNYJJCXFHLFY-XJKSGUPXSA-N 2 2 334.464 1.360 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)[C@@H]4[C@H]5CCC[C@H]5CN4C3=O)C2)CC1 ZINC000761307203 580054544 /nfs/dbraw/zinc/05/45/44/580054544.db2.gz YEYQKOOPNAGCOT-HJWJTTGWSA-N 2 2 346.475 1.218 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)[C@@H]4[C@H]5CCC[C@H]5CN4C3=O)C2)CC1 ZINC000761307203 580054545 /nfs/dbraw/zinc/05/45/45/580054545.db2.gz YEYQKOOPNAGCOT-HJWJTTGWSA-N 2 2 346.475 1.218 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000749491663 579728565 /nfs/dbraw/zinc/72/85/65/579728565.db2.gz WWWOXTFNYOMNCC-OWCLPIDISA-N 2 2 341.496 1.821 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000749491663 579728567 /nfs/dbraw/zinc/72/85/67/579728567.db2.gz WWWOXTFNYOMNCC-OWCLPIDISA-N 2 2 341.496 1.821 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000750854143 579784124 /nfs/dbraw/zinc/78/41/24/579784124.db2.gz XNCNNQWAXAHAKE-UHFFFAOYSA-N 2 2 331.460 1.096 20 0 EDADLP Cc1ccncc1/C=C/C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000752316196 579845394 /nfs/dbraw/zinc/84/53/94/579845394.db2.gz JXODVSLEQOYIHT-IDOMTICXSA-N 2 2 328.460 1.688 20 0 EDADLP Cc1ccncc1/C=C/C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000752316196 579845396 /nfs/dbraw/zinc/84/53/96/579845396.db2.gz JXODVSLEQOYIHT-IDOMTICXSA-N 2 2 328.460 1.688 20 0 EDADLP COC[C@@H](C)NC(=S)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000755397802 579926564 /nfs/dbraw/zinc/92/65/64/579926564.db2.gz MUCTWCBKPNGITO-JZWPEALZSA-N 2 2 340.537 1.139 20 0 EDADLP COC[C@@H](C)NC(=S)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000755397802 579926565 /nfs/dbraw/zinc/92/65/65/579926565.db2.gz MUCTWCBKPNGITO-JZWPEALZSA-N 2 2 340.537 1.139 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@](C)(c3ccccn3)CC2=O)C1 ZINC000758241355 579978148 /nfs/dbraw/zinc/97/81/48/579978148.db2.gz UIBUNEQZKUARMQ-MBOZVWFJSA-N 2 2 342.487 1.945 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@](C)(c3ccccn3)CC2=O)C1 ZINC000758241355 579978149 /nfs/dbraw/zinc/97/81/49/579978149.db2.gz UIBUNEQZKUARMQ-MBOZVWFJSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C[C@](C)(c3ccccn3)CC2=O)C1 ZINC000758241355 579978150 /nfs/dbraw/zinc/97/81/50/579978150.db2.gz UIBUNEQZKUARMQ-MBOZVWFJSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C[C@](C)(c3ccccn3)CC2=O)C1 ZINC000758241355 579978151 /nfs/dbraw/zinc/97/81/51/579978151.db2.gz UIBUNEQZKUARMQ-MBOZVWFJSA-N 2 2 342.487 1.945 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccnc(Cl)c1 ZINC000766024024 580156923 /nfs/dbraw/zinc/15/69/23/580156923.db2.gz VLISZLDQHSVUCK-ZBFHGGJFSA-N 2 2 338.883 1.792 20 0 EDADLP C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000769690539 580242884 /nfs/dbraw/zinc/24/28/84/580242884.db2.gz FQXUQAFTLHXSSF-ZIAGYGMSSA-N 2 2 342.484 1.042 20 0 EDADLP Cn1nnnc1CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000772464198 580312031 /nfs/dbraw/zinc/31/20/31/580312031.db2.gz BLBKKBCCTRONOZ-UHFFFAOYSA-N 2 2 329.452 1.077 20 0 EDADLP Cc1ccc(N2CCC(C(=O)O[C@H](C)C[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000782260637 580570004 /nfs/dbraw/zinc/57/00/04/580570004.db2.gz BVPTYFQGGAGDCO-MRXNPFEDSA-N 2 2 347.459 1.870 20 0 EDADLP CO[C@]1(C)C[C@@H]([N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1(C)C ZINC000783995871 580611220 /nfs/dbraw/zinc/61/12/20/580611220.db2.gz MFVOZXRZIIFCFR-DDUZABMNSA-N 2 2 334.464 1.829 20 0 EDADLP CO[C@]1(C)C[C@@H]([N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1(C)C ZINC000783995871 580611221 /nfs/dbraw/zinc/61/12/21/580611221.db2.gz MFVOZXRZIIFCFR-DDUZABMNSA-N 2 2 334.464 1.829 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(N(C)C)[nH+]1 ZINC000785385312 580641904 /nfs/dbraw/zinc/64/19/04/580641904.db2.gz KFOIHDTXKGBUPF-AWEZNQCLSA-N 2 2 347.463 1.384 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000785506074 580646055 /nfs/dbraw/zinc/64/60/55/580646055.db2.gz MUGFHSPICIXQOT-HNNXBMFYSA-N 2 2 332.448 1.428 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000785506074 580646056 /nfs/dbraw/zinc/64/60/56/580646056.db2.gz MUGFHSPICIXQOT-HNNXBMFYSA-N 2 2 332.448 1.428 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[NH+]1CCCCC1 ZINC000793703193 580852556 /nfs/dbraw/zinc/85/25/56/580852556.db2.gz XCDUJVDJPHZGCH-CQSZACIVSA-N 2 2 347.463 1.106 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[NH+]1CCCCC1 ZINC000793703193 580852557 /nfs/dbraw/zinc/85/25/57/580852557.db2.gz XCDUJVDJPHZGCH-CQSZACIVSA-N 2 2 347.463 1.106 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)s1 ZINC000796264300 580949483 /nfs/dbraw/zinc/94/94/83/580949483.db2.gz NAWUPJCNJYTEID-UHFFFAOYSA-N 2 2 347.488 1.726 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000798378508 580995816 /nfs/dbraw/zinc/99/58/16/580995816.db2.gz IAZBVGNCLQMGBU-UHFFFAOYSA-N 2 2 349.548 1.974 20 0 EDADLP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000891906902 590681147 /nfs/dbraw/zinc/68/11/47/590681147.db2.gz OAQZYWDKNVKBDQ-CQSZACIVSA-N 2 2 325.416 1.412 20 0 EDADLP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000891906902 590681151 /nfs/dbraw/zinc/68/11/51/590681151.db2.gz OAQZYWDKNVKBDQ-CQSZACIVSA-N 2 2 325.416 1.412 20 0 EDADLP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CCn3cc[nH+]c32)c1 ZINC000891928217 590692794 /nfs/dbraw/zinc/69/27/94/590692794.db2.gz WKZXXALMRLSBDH-HOTGVXAUSA-N 2 2 341.415 1.693 20 0 EDADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000892001079 590737036 /nfs/dbraw/zinc/73/70/36/590737036.db2.gz DLGADNHRODFQEW-SJORKVTESA-N 2 2 334.439 1.966 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)cn21 ZINC000892213836 590868103 /nfs/dbraw/zinc/86/81/03/590868103.db2.gz KWEFUYGYLLFWPL-QAPCUYQASA-N 2 2 327.432 1.769 20 0 EDADLP CC1(C)CC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)[NH2+]C1 ZINC000892394110 591008620 /nfs/dbraw/zinc/00/86/20/591008620.db2.gz SMACLMLGYKSYIH-QGZVFWFLSA-N 2 2 345.491 1.687 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000892483297 591043663 /nfs/dbraw/zinc/04/36/63/591043663.db2.gz MVUIMIWFZAVFKM-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP CCN(C)C(=O)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893685734 591045664 /nfs/dbraw/zinc/04/56/64/591045664.db2.gz RMJGPZXALRMBRM-UHFFFAOYSA-N 2 2 342.484 1.043 20 0 EDADLP CC1(C)CC[C@@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)[NH2+]C1 ZINC000891345410 591052129 /nfs/dbraw/zinc/05/21/29/591052129.db2.gz VSJIDFVOLRIIDR-HNNXBMFYSA-N 2 2 342.447 1.845 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000891358369 591058498 /nfs/dbraw/zinc/05/84/98/591058498.db2.gz NSCGUZBPEPJTCC-HYVNUMGLSA-N 2 2 332.448 1.191 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000892546530 591067882 /nfs/dbraw/zinc/06/78/82/591067882.db2.gz HFGPQFXPWARGIU-KSZLIROESA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)cc1 ZINC000892546530 591067886 /nfs/dbraw/zinc/06/78/86/591067886.db2.gz HFGPQFXPWARGIU-KSZLIROESA-N 2 2 346.475 1.232 20 0 EDADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000892558315 591071533 /nfs/dbraw/zinc/07/15/33/591071533.db2.gz RSHPIPSKWFJPCD-OTVXOJSOSA-N 2 2 331.464 1.846 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cc(N)cc[nH+]3)CC2)CC1 ZINC000891461240 591079235 /nfs/dbraw/zinc/07/92/35/591079235.db2.gz KTGZDSLPAKRYOF-UHFFFAOYSA-N 3 2 346.479 1.022 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000892613486 591096758 /nfs/dbraw/zinc/09/67/58/591096758.db2.gz FQYWRDPIJYDXEQ-YTQUADARSA-N 2 2 328.460 1.814 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000892613486 591096760 /nfs/dbraw/zinc/09/67/60/591096760.db2.gz FQYWRDPIJYDXEQ-YTQUADARSA-N 2 2 328.460 1.814 20 0 EDADLP C[C@H](NC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000891518311 591104196 /nfs/dbraw/zinc/10/41/96/591104196.db2.gz PDYGELPZHYZZIF-RLFYNMQTSA-N 2 2 340.512 1.502 20 0 EDADLP CN(C)c1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc[nH+]1 ZINC000891531918 591110101 /nfs/dbraw/zinc/11/01/01/591110101.db2.gz AQAJMSNEZOENFG-UHFFFAOYSA-N 2 2 327.432 1.744 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cncs1 ZINC000893866266 591120879 /nfs/dbraw/zinc/12/08/79/591120879.db2.gz JMXUENWBJIWZKR-LBPRGKRZSA-N 2 2 325.482 1.529 20 0 EDADLP C[C@@]1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH+]2CCC1CC2 ZINC000892781498 591173736 /nfs/dbraw/zinc/17/37/36/591173736.db2.gz OAXHHSPOHHVRFG-UYAOXDASSA-N 2 2 343.471 1.488 20 0 EDADLP C[C@@]1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH+]2CCC1CC2 ZINC000892781498 591173738 /nfs/dbraw/zinc/17/37/38/591173738.db2.gz OAXHHSPOHHVRFG-UYAOXDASSA-N 2 2 343.471 1.488 20 0 EDADLP COc1nccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1F ZINC000892792487 591177299 /nfs/dbraw/zinc/17/72/99/591177299.db2.gz GZCJYJALZOTODP-AWEZNQCLSA-N 2 2 338.427 1.262 20 0 EDADLP COc1nccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1F ZINC000892792487 591177300 /nfs/dbraw/zinc/17/73/00/591177300.db2.gz GZCJYJALZOTODP-AWEZNQCLSA-N 2 2 338.427 1.262 20 0 EDADLP CCOC(=O)c1ncc(C[NH2+]C2CC[NH+](CCCOC)CC2)s1 ZINC000892803148 591182829 /nfs/dbraw/zinc/18/28/29/591182829.db2.gz YJUHZOPTZLMCSN-UHFFFAOYSA-N 2 2 341.477 1.910 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000892837713 591200485 /nfs/dbraw/zinc/20/04/85/591200485.db2.gz FSGBIEGLOSVVOK-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1CCC(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000892837713 591200488 /nfs/dbraw/zinc/20/04/88/591200488.db2.gz FSGBIEGLOSVVOK-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000892837684 591200648 /nfs/dbraw/zinc/20/06/48/591200648.db2.gz FGZMRXAWHIXFOR-ULQDDVLXSA-N 2 2 340.512 1.469 20 0 EDADLP COCc1nccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000892949186 591236199 /nfs/dbraw/zinc/23/61/99/591236199.db2.gz NBEMMTDSECIQNF-UHFFFAOYSA-N 2 2 333.480 1.618 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC(F)(F)C1 ZINC000895685421 591252565 /nfs/dbraw/zinc/25/25/65/591252565.db2.gz LSMIYOAPHKOWQZ-GDBMZVCRSA-N 2 2 331.451 1.806 20 0 EDADLP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)nc(NC(C)(C)C)n1 ZINC000895771207 591269581 /nfs/dbraw/zinc/26/95/81/591269581.db2.gz VDAQLIPMPVFJES-BETUJISGSA-N 2 2 348.499 1.314 20 0 EDADLP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)nc(NC(C)(C)C)n1 ZINC000895771207 591269583 /nfs/dbraw/zinc/26/95/83/591269583.db2.gz VDAQLIPMPVFJES-BETUJISGSA-N 2 2 348.499 1.314 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)nc(NC(C)(C)C)n1 ZINC000895771207 591269584 /nfs/dbraw/zinc/26/95/84/591269584.db2.gz VDAQLIPMPVFJES-BETUJISGSA-N 2 2 348.499 1.314 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)nc(NC(C)(C)C)n1 ZINC000895771207 591269586 /nfs/dbraw/zinc/26/95/86/591269586.db2.gz VDAQLIPMPVFJES-BETUJISGSA-N 2 2 348.499 1.314 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000895787241 591272536 /nfs/dbraw/zinc/27/25/36/591272536.db2.gz LEMPUBFMDCPXFV-MRXNPFEDSA-N 2 2 326.400 1.746 20 0 EDADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000894354173 591287736 /nfs/dbraw/zinc/28/77/36/591287736.db2.gz RLVFPKYVDIYDOW-LBPRGKRZSA-N 2 2 329.448 1.788 20 0 EDADLP Cc1cnc(Br)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000841195956 591298027 /nfs/dbraw/zinc/29/80/27/591298027.db2.gz IVPDKOFCDQKWNA-JTQLQIEISA-N 2 2 342.241 1.259 20 0 EDADLP Cc1cnc(Br)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000841195956 591298029 /nfs/dbraw/zinc/29/80/29/591298029.db2.gz IVPDKOFCDQKWNA-JTQLQIEISA-N 2 2 342.241 1.259 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000894454109 591315064 /nfs/dbraw/zinc/31/50/64/591315064.db2.gz NRODTNBTBXITRM-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000897428722 591409660 /nfs/dbraw/zinc/40/96/60/591409660.db2.gz QJCYPBOBKHVDHO-HNNXBMFYSA-N 2 2 336.505 1.917 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000897428722 591409663 /nfs/dbraw/zinc/40/96/63/591409663.db2.gz QJCYPBOBKHVDHO-HNNXBMFYSA-N 2 2 336.505 1.917 20 0 EDADLP Cn1ncc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)n1 ZINC000894763347 591413300 /nfs/dbraw/zinc/41/33/00/591413300.db2.gz ZPGYMPJQHIRDOJ-UHFFFAOYSA-N 2 2 339.346 1.488 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c[nH+]1 ZINC000896389868 591446998 /nfs/dbraw/zinc/44/69/98/591446998.db2.gz JKLWXPHIKNEGST-MRXNPFEDSA-N 2 2 333.480 1.165 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c[nH+]1 ZINC000896389868 591447001 /nfs/dbraw/zinc/44/70/01/591447001.db2.gz JKLWXPHIKNEGST-MRXNPFEDSA-N 2 2 333.480 1.165 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000897565192 591556842 /nfs/dbraw/zinc/55/68/42/591556842.db2.gz XCYFOFRCDKIZCO-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000897565192 591556847 /nfs/dbraw/zinc/55/68/47/591556847.db2.gz XCYFOFRCDKIZCO-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897565192 591556851 /nfs/dbraw/zinc/55/68/51/591556851.db2.gz XCYFOFRCDKIZCO-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897565192 591556854 /nfs/dbraw/zinc/55/68/54/591556854.db2.gz XCYFOFRCDKIZCO-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1)C(C)C ZINC000897876988 591703252 /nfs/dbraw/zinc/70/32/52/591703252.db2.gz PQSCDTHSFSEINL-CVEARBPZSA-N 2 2 339.480 1.297 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+]1C1CCCC1)C(C)C ZINC000897876988 591703255 /nfs/dbraw/zinc/70/32/55/591703255.db2.gz PQSCDTHSFSEINL-CVEARBPZSA-N 2 2 339.480 1.297 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000897078272 591734655 /nfs/dbraw/zinc/73/46/55/591734655.db2.gz ULFQXSHDSSWFDA-WBAXXEDZSA-N 2 2 349.475 1.570 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000897078272 591734656 /nfs/dbraw/zinc/73/46/56/591734656.db2.gz ULFQXSHDSSWFDA-WBAXXEDZSA-N 2 2 349.475 1.570 20 0 EDADLP O[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1F ZINC000898184742 591826683 /nfs/dbraw/zinc/82/66/83/591826683.db2.gz WJQFXYLBUINZCI-MSOLQXFVSA-N 2 2 338.423 1.302 20 0 EDADLP O[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1F ZINC000898184742 591826685 /nfs/dbraw/zinc/82/66/85/591826685.db2.gz WJQFXYLBUINZCI-MSOLQXFVSA-N 2 2 338.423 1.302 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000898274761 591849246 /nfs/dbraw/zinc/84/92/46/591849246.db2.gz URWPWASANZXHRL-LEUOFYLZSA-N 2 2 334.508 1.985 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000898274761 591849249 /nfs/dbraw/zinc/84/92/49/591849249.db2.gz URWPWASANZXHRL-LEUOFYLZSA-N 2 2 334.508 1.985 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1-c1[nH]cc[nH+]1)N1CC[NH+](C)CC1 ZINC000909630680 591871237 /nfs/dbraw/zinc/87/12/37/591871237.db2.gz QMKYNKMHRBXEOZ-AWEZNQCLSA-N 2 2 327.432 1.329 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000900067294 591885836 /nfs/dbraw/zinc/88/58/36/591885836.db2.gz SDUJRMYVVGJFCQ-UHFFFAOYSA-N 2 2 342.447 1.370 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000900162500 591922952 /nfs/dbraw/zinc/92/29/52/591922952.db2.gz AXJUNOMZSSYACF-UHFFFAOYSA-N 2 2 333.480 1.180 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000899933520 591987486 /nfs/dbraw/zinc/98/74/86/591987486.db2.gz OWSJYSYBTPFCER-NVLKRUCJSA-N 2 2 343.471 1.299 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000899933520 591987489 /nfs/dbraw/zinc/98/74/89/591987489.db2.gz OWSJYSYBTPFCER-NVLKRUCJSA-N 2 2 343.471 1.299 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)C1([NH3+])CC1 ZINC000902386073 591989341 /nfs/dbraw/zinc/98/93/41/591989341.db2.gz ZUIPKELBKQEEPV-NSHDSACASA-N 2 2 331.869 1.396 20 0 EDADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000900365344 591997459 /nfs/dbraw/zinc/99/74/59/591997459.db2.gz HSADPUUSPDBQDT-CYBMUJFWSA-N 2 2 344.463 1.916 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(OC)c1 ZINC000902473201 591997597 /nfs/dbraw/zinc/99/75/97/591997597.db2.gz UMXCJJSIHAXBKF-CQJJVWNLSA-N 2 2 333.432 1.903 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CC[C@]4(C3)CCCC[NH2+]4)nc[nH+]2)C1 ZINC000900401562 592008654 /nfs/dbraw/zinc/00/86/54/592008654.db2.gz GMWHDPTXYBWXBI-QAPCUYQASA-N 2 2 331.464 1.408 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000900445815 592028979 /nfs/dbraw/zinc/02/89/79/592028979.db2.gz GOIWROFVCMWZQP-BLLLJJGKSA-N 2 2 334.807 1.919 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000900445815 592028982 /nfs/dbraw/zinc/02/89/82/592028982.db2.gz GOIWROFVCMWZQP-BLLLJJGKSA-N 2 2 334.807 1.919 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000900575101 592056634 /nfs/dbraw/zinc/05/66/34/592056634.db2.gz VTEHMQBCOPUTQZ-AWEZNQCLSA-N 2 2 328.416 1.866 20 0 EDADLP C/C(=C/C(=O)N(CC[NH+](C)C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000900660452 592084299 /nfs/dbraw/zinc/08/42/99/592084299.db2.gz UXOVUQROVBJUEF-ICFOKQHNSA-N 2 2 337.508 1.988 20 0 EDADLP CN(C)c1cccnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674696 592091005 /nfs/dbraw/zinc/09/10/05/592091005.db2.gz MCFFMRJEENTKLB-CQSZACIVSA-N 2 2 331.464 1.046 20 0 EDADLP CN(C)c1cccnc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674696 592091009 /nfs/dbraw/zinc/09/10/09/592091009.db2.gz MCFFMRJEENTKLB-CQSZACIVSA-N 2 2 331.464 1.046 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900687730 592094965 /nfs/dbraw/zinc/09/49/65/592094965.db2.gz XOFXNWZBLFWGRZ-UHFFFAOYSA-N 2 2 349.479 1.039 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000903428080 592168307 /nfs/dbraw/zinc/16/83/07/592168307.db2.gz CUEJFJYGRPTRLH-WBVHZDCISA-N 2 2 342.443 1.592 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000903428080 592168309 /nfs/dbraw/zinc/16/83/09/592168309.db2.gz CUEJFJYGRPTRLH-WBVHZDCISA-N 2 2 342.443 1.592 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903439782 592170030 /nfs/dbraw/zinc/17/00/30/592170030.db2.gz OUPCEPIWCQDQQG-CABCVRRESA-N 2 2 325.478 1.061 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903439782 592170032 /nfs/dbraw/zinc/17/00/32/592170032.db2.gz OUPCEPIWCQDQQG-CABCVRRESA-N 2 2 325.478 1.061 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000903442236 592172185 /nfs/dbraw/zinc/17/21/85/592172185.db2.gz LOYFGXHCBZFIEY-BDXSIMOUSA-N 2 2 336.524 1.154 20 0 EDADLP COc1ccc(CN2CCC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)CC2=O)cc1 ZINC000903457048 592174159 /nfs/dbraw/zinc/17/41/59/592174159.db2.gz LIBPKTXMIJZJJT-WBVHZDCISA-N 2 2 331.460 1.585 20 0 EDADLP COc1ccc(CN2CCC[N@@H+](C[C@@H]3C[NH2+]C[C@H]3C)CC2=O)cc1 ZINC000903457048 592174168 /nfs/dbraw/zinc/17/41/68/592174168.db2.gz LIBPKTXMIJZJJT-WBVHZDCISA-N 2 2 331.460 1.585 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903483059 592177047 /nfs/dbraw/zinc/17/70/47/592177047.db2.gz CFUSKFGJMYEVDX-MRXNPFEDSA-N 2 2 338.473 1.733 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000901118938 592239497 /nfs/dbraw/zinc/23/94/97/592239497.db2.gz PCRGZZTWEVQWNV-UHFFFAOYSA-N 2 2 335.496 1.538 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000901118938 592239498 /nfs/dbraw/zinc/23/94/98/592239498.db2.gz PCRGZZTWEVQWNV-UHFFFAOYSA-N 2 2 335.496 1.538 20 0 EDADLP CN(C(=O)c1nccnc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906657496 592240200 /nfs/dbraw/zinc/24/02/00/592240200.db2.gz YENIDQUWKNHZII-ZDUSSCGKSA-N 2 2 337.855 1.371 20 0 EDADLP CN(C(=O)c1nccnc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906657496 592240202 /nfs/dbraw/zinc/24/02/02/592240202.db2.gz YENIDQUWKNHZII-ZDUSSCGKSA-N 2 2 337.855 1.371 20 0 EDADLP [NH3+][C@]1(c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)C[C@@H]1c1ccccc1 ZINC000904640010 592302337 /nfs/dbraw/zinc/30/23/37/592302337.db2.gz XIWIBQPNIPQMJW-ZXFNITATSA-N 2 2 326.400 1.947 20 0 EDADLP [NH3+][C@]1(c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)C[C@@H]1c1ccccc1 ZINC000904640010 592302343 /nfs/dbraw/zinc/30/23/43/592302343.db2.gz XIWIBQPNIPQMJW-ZXFNITATSA-N 2 2 326.400 1.947 20 0 EDADLP C[NH+]1CCN(c2ccnc(-c3noc(C[C@H]([NH3+])C(F)F)n3)c2)CC1 ZINC000904670713 592309474 /nfs/dbraw/zinc/30/94/74/592309474.db2.gz BAJJCHOCKLMBGB-NSHDSACASA-N 2 2 338.362 1.018 20 0 EDADLP NC(=O)c1cn[nH]c1[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779827 592320325 /nfs/dbraw/zinc/32/03/25/592320325.db2.gz BPWIWWBRRQIGGM-UKRRQHHQSA-N 2 2 347.463 1.194 20 0 EDADLP NC(=O)c1cn[nH]c1[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779827 592320330 /nfs/dbraw/zinc/32/03/30/592320330.db2.gz BPWIWWBRRQIGGM-UKRRQHHQSA-N 2 2 347.463 1.194 20 0 EDADLP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000901300239 592321569 /nfs/dbraw/zinc/32/15/69/592321569.db2.gz TXEYLZRDCBGTEC-UYSNPLJNSA-N 2 2 332.448 1.964 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCOC[C@@H]1C[C@@H]1CNc2ccccc21 ZINC000903789075 592322632 /nfs/dbraw/zinc/32/26/32/592322632.db2.gz UFSNVEOQKRDDCG-FGTMMUONSA-N 2 2 345.487 1.743 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCOC[C@@H]1C[C@@H]1CNc2ccccc21 ZINC000903789075 592322636 /nfs/dbraw/zinc/32/26/36/592322636.db2.gz UFSNVEOQKRDDCG-FGTMMUONSA-N 2 2 345.487 1.743 20 0 EDADLP Cn1ncc2c1nc(C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1)[nH]c2=O ZINC000903816278 592324176 /nfs/dbraw/zinc/32/41/76/592324176.db2.gz XUCGHXLIQSXIPA-CYBMUJFWSA-N 2 2 330.436 1.552 20 0 EDADLP Cn1ncc2c1nc(C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1)[nH]c2=O ZINC000903816278 592324182 /nfs/dbraw/zinc/32/41/82/592324182.db2.gz XUCGHXLIQSXIPA-CYBMUJFWSA-N 2 2 330.436 1.552 20 0 EDADLP Cc1ccsc1CNC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817735 592325708 /nfs/dbraw/zinc/32/57/08/592325708.db2.gz GQJKGBSUPDFKCQ-UHFFFAOYSA-N 2 2 337.489 1.517 20 0 EDADLP Cc1ccsc1CNC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817735 592325714 /nfs/dbraw/zinc/32/57/14/592325714.db2.gz GQJKGBSUPDFKCQ-UHFFFAOYSA-N 2 2 337.489 1.517 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)NC(=O)NCc1ccccc1 ZINC000903867088 592342462 /nfs/dbraw/zinc/34/24/62/592342462.db2.gz XZHNBTBBQXVBBY-SFHVURJKSA-N 2 2 330.432 1.230 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@]12CC[NH2+]C2)NC(=O)NCc1ccccc1 ZINC000903867088 592342469 /nfs/dbraw/zinc/34/24/69/592342469.db2.gz XZHNBTBBQXVBBY-SFHVURJKSA-N 2 2 330.432 1.230 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(C[C@H]([NH3+])CC(F)F)CC2)C1 ZINC000903890873 592352647 /nfs/dbraw/zinc/35/26/47/592352647.db2.gz HEPVQFZTJCLHLR-KFWWJZLASA-N 2 2 346.466 1.281 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)[C@H]2C1 ZINC000903897512 592367790 /nfs/dbraw/zinc/36/77/90/592367790.db2.gz FGCCWBMVWWGZAV-BGTYHANMSA-N 2 2 336.480 1.114 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)[C@H]2C1 ZINC000903897512 592367795 /nfs/dbraw/zinc/36/77/95/592367795.db2.gz FGCCWBMVWWGZAV-BGTYHANMSA-N 2 2 336.480 1.114 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cnn1C ZINC000903898745 592369351 /nfs/dbraw/zinc/36/93/51/592369351.db2.gz OKKGYCGJVPAKGF-YXJHDRRASA-N 3 2 330.480 1.626 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cnn1C ZINC000903898745 592369356 /nfs/dbraw/zinc/36/93/56/592369356.db2.gz OKKGYCGJVPAKGF-YXJHDRRASA-N 3 2 330.480 1.626 20 0 EDADLP COc1ccc2c(c1)CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903933301 592384926 /nfs/dbraw/zinc/38/49/26/592384926.db2.gz OIMPWFFTNFNXKZ-INIZCTEOSA-N 2 2 327.432 1.770 20 0 EDADLP COc1ccc2c(c1)CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903933301 592384930 /nfs/dbraw/zinc/38/49/30/592384930.db2.gz OIMPWFFTNFNXKZ-INIZCTEOSA-N 2 2 327.432 1.770 20 0 EDADLP FC(F)(F)[C@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903937152 592388054 /nfs/dbraw/zinc/38/80/54/592388054.db2.gz CKCHWWSXYHQNGR-DGCLKSJQSA-N 2 2 333.358 1.356 20 0 EDADLP FC(F)(F)[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903937152 592388058 /nfs/dbraw/zinc/38/80/58/592388058.db2.gz CKCHWWSXYHQNGR-DGCLKSJQSA-N 2 2 333.358 1.356 20 0 EDADLP Cc1cc(C)n2c(C[NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)cnc2n1 ZINC000903972113 592397706 /nfs/dbraw/zinc/39/77/06/592397706.db2.gz GRTIRNUNNYHVAS-OAHLLOKOSA-N 2 2 329.448 1.594 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3noc([C@H]4[C@@H]5CC[NH2+]C[C@@H]54)n3)C2)cc1 ZINC000904102841 592426171 /nfs/dbraw/zinc/42/61/71/592426171.db2.gz DWINKSQLSNADQP-TWMKSMIVSA-N 2 2 340.427 1.966 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3noc([C@H]4[C@@H]5CC[NH2+]C[C@@H]54)n3)C2)cc1 ZINC000904102841 592426174 /nfs/dbraw/zinc/42/61/74/592426174.db2.gz DWINKSQLSNADQP-TWMKSMIVSA-N 2 2 340.427 1.966 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N(O)Cc3ccccc3)C2)CC1 ZINC000904171650 592449591 /nfs/dbraw/zinc/44/95/91/592449591.db2.gz YGFYLRVOBVCCTC-MRXNPFEDSA-N 2 2 332.448 1.756 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N(O)Cc3ccccc3)C2)CC1 ZINC000904171650 592449595 /nfs/dbraw/zinc/44/95/95/592449595.db2.gz YGFYLRVOBVCCTC-MRXNPFEDSA-N 2 2 332.448 1.756 20 0 EDADLP O[C@@H](C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)CC1(O)CCCC1 ZINC000905345079 592500787 /nfs/dbraw/zinc/50/07/87/592500787.db2.gz LDFSRMGZQQIQCL-MOPGFXCFSA-N 2 2 348.487 1.051 20 0 EDADLP O[C@@H](C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)CC1(O)CCCC1 ZINC000905345079 592500789 /nfs/dbraw/zinc/50/07/89/592500789.db2.gz LDFSRMGZQQIQCL-MOPGFXCFSA-N 2 2 348.487 1.051 20 0 EDADLP O[C@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000905447714 592528514 /nfs/dbraw/zinc/52/85/14/592528514.db2.gz TVIGQPBUSUJSMU-RBUKOAKNSA-N 2 2 333.476 1.106 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)CC1 ZINC000908549750 592534553 /nfs/dbraw/zinc/53/45/53/592534553.db2.gz RGGZTFUZTACCCN-QGZVFWFLSA-N 2 2 347.507 1.746 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccnn2CC[NH+](C)C)CC1(C)C ZINC000908548750 592534562 /nfs/dbraw/zinc/53/45/62/592534562.db2.gz MIIDVBVPHDQGGI-AWEZNQCLSA-N 2 2 330.436 1.402 20 0 EDADLP CSC[C@@H](O)C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000905577692 592578693 /nfs/dbraw/zinc/57/86/93/592578693.db2.gz ZRHSKCHTKFFICB-KRWDZBQOSA-N 2 2 338.517 1.981 20 0 EDADLP CSC[C@@H](O)C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000905577692 592578694 /nfs/dbraw/zinc/57/86/94/592578694.db2.gz ZRHSKCHTKFFICB-KRWDZBQOSA-N 2 2 338.517 1.981 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)C[C@H](O)c1ccccc1 ZINC000905620185 592587729 /nfs/dbraw/zinc/58/77/29/592587729.db2.gz QEIFHRNJFVDXRB-QYZOEREBSA-N 2 2 334.460 1.314 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)C[C@H](O)c1ccccc1 ZINC000905620185 592587730 /nfs/dbraw/zinc/58/77/30/592587730.db2.gz QEIFHRNJFVDXRB-QYZOEREBSA-N 2 2 334.460 1.314 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2C[NH2+]CCC2(F)F)[nH+]cn1 ZINC000905679601 592610103 /nfs/dbraw/zinc/61/01/03/592610103.db2.gz YIQGWSGAKFBEKM-OLZOCXBDSA-N 2 2 341.406 1.485 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2C[NH2+]CCC2(F)F)nc[nH+]1 ZINC000905679601 592610106 /nfs/dbraw/zinc/61/01/06/592610106.db2.gz YIQGWSGAKFBEKM-OLZOCXBDSA-N 2 2 341.406 1.485 20 0 EDADLP CC(C)(C)n1ncc(NCC[NH+]2CCC([NH3+])CC2)c(Cl)c1=O ZINC000905703584 592616089 /nfs/dbraw/zinc/61/60/89/592616089.db2.gz CSSVKOXFMFZYOE-UHFFFAOYSA-N 2 2 327.860 1.487 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2COC(C)(C)C)C1 ZINC000905731476 592631621 /nfs/dbraw/zinc/63/16/21/592631621.db2.gz YFOGZVQVYHGHJF-GJZGRUSLSA-N 2 2 334.464 1.973 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2COC(C)(C)C)C1 ZINC000905731476 592631624 /nfs/dbraw/zinc/63/16/24/592631624.db2.gz YFOGZVQVYHGHJF-GJZGRUSLSA-N 2 2 334.464 1.973 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905919091 592681674 /nfs/dbraw/zinc/68/16/74/592681674.db2.gz KAVPNAJLIGHECX-BVBHFADKSA-N 2 2 334.460 1.314 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905919091 592681676 /nfs/dbraw/zinc/68/16/76/592681676.db2.gz KAVPNAJLIGHECX-BVBHFADKSA-N 2 2 334.460 1.314 20 0 EDADLP OCC1(C[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000905909934 592691385 /nfs/dbraw/zinc/69/13/85/592691385.db2.gz OGLGEFBXXIMKAU-IBGZPJMESA-N 2 2 347.503 1.939 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906593043 592853680 /nfs/dbraw/zinc/85/36/80/592853680.db2.gz JNCDHARBJYFEBK-INIZCTEOSA-N 2 2 333.480 1.102 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906593043 592853682 /nfs/dbraw/zinc/85/36/82/592853682.db2.gz JNCDHARBJYFEBK-INIZCTEOSA-N 2 2 333.480 1.102 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910777674 592893536 /nfs/dbraw/zinc/89/35/36/592893536.db2.gz MGSSWIWJAMLAEJ-KRWDZBQOSA-N 2 2 336.439 1.932 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910777674 592893537 /nfs/dbraw/zinc/89/35/37/592893537.db2.gz MGSSWIWJAMLAEJ-KRWDZBQOSA-N 2 2 336.439 1.932 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1c1c[nH+]cn1C ZINC000910841492 592895767 /nfs/dbraw/zinc/89/57/67/592895767.db2.gz LACGWGYTLIRIDC-LSDHHAIUSA-N 2 2 347.463 1.026 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1c1c[nH+]cn1C ZINC000910841492 592895768 /nfs/dbraw/zinc/89/57/68/592895768.db2.gz LACGWGYTLIRIDC-LSDHHAIUSA-N 2 2 347.463 1.026 20 0 EDADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000911371324 593017018 /nfs/dbraw/zinc/01/70/18/593017018.db2.gz KRKIWFOPJXRKHF-CVEARBPZSA-N 2 2 349.479 1.114 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@@H]([NH+]3CCOCC3)C1(C)C)CC2 ZINC000911849386 593025999 /nfs/dbraw/zinc/02/59/99/593025999.db2.gz ZBDQKFJPIOBXTK-HYVNUMGLSA-N 2 2 346.475 1.369 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)C[NH2+]CC[NH3+])C1 ZINC000912357422 593088473 /nfs/dbraw/zinc/08/84/73/593088473.db2.gz QIWJGRIIIWXADA-ZIAGYGMSSA-N 2 2 332.448 1.292 20 0 EDADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000912588088 593106590 /nfs/dbraw/zinc/10/65/90/593106590.db2.gz BCRXPCLEYZKEIS-HNNXBMFYSA-N 2 2 334.464 1.045 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000806866935 593122388 /nfs/dbraw/zinc/12/23/88/593122388.db2.gz GAHPQAKCLNLUGJ-HNNXBMFYSA-N 2 2 347.507 1.971 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000806866935 593122389 /nfs/dbraw/zinc/12/23/89/593122389.db2.gz GAHPQAKCLNLUGJ-HNNXBMFYSA-N 2 2 347.507 1.971 20 0 EDADLP CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000805763183 593140255 /nfs/dbraw/zinc/14/02/55/593140255.db2.gz QLKVGSMREZCKOI-HOTGVXAUSA-N 2 2 327.469 1.386 20 0 EDADLP CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000805763183 593140257 /nfs/dbraw/zinc/14/02/57/593140257.db2.gz QLKVGSMREZCKOI-HOTGVXAUSA-N 2 2 327.469 1.386 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@@H]1CCn2cc[nH+]c21)CCC(F)(F)F ZINC000838565981 593188179 /nfs/dbraw/zinc/18/81/79/593188179.db2.gz KHMPMNFUMIYYJR-LLVKDONJSA-N 2 2 333.358 1.901 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@@H]1CCn2cc[nH+]c21)CCC(F)(F)F ZINC000838565981 593188181 /nfs/dbraw/zinc/18/81/81/593188181.db2.gz KHMPMNFUMIYYJR-LLVKDONJSA-N 2 2 333.358 1.901 20 0 EDADLP COC[C@H](C)OC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000867014526 593339919 /nfs/dbraw/zinc/33/99/19/593339919.db2.gz GSTYWXBYDBXWLV-LSVZVQIISA-N 2 2 325.453 1.401 20 0 EDADLP COC[C@H](C)OC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000867014526 593339922 /nfs/dbraw/zinc/33/99/22/593339922.db2.gz GSTYWXBYDBXWLV-LSVZVQIISA-N 2 2 325.453 1.401 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)c(N(C)C)[nH+]1 ZINC000839591950 593345841 /nfs/dbraw/zinc/34/58/41/593345841.db2.gz MTYQUYSAOVAPGS-CQSZACIVSA-N 2 2 347.463 1.243 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(N(C)C)[nH+]1 ZINC000839591950 593345842 /nfs/dbraw/zinc/34/58/42/593345842.db2.gz MTYQUYSAOVAPGS-CQSZACIVSA-N 2 2 347.463 1.243 20 0 EDADLP C[C@H](O)c1ncc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000809585341 593348319 /nfs/dbraw/zinc/34/83/19/593348319.db2.gz HPBNGVBENCLZSB-YCPHGPKFSA-N 2 2 338.521 1.654 20 0 EDADLP C[C@H](O)c1ncc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000809585341 593348321 /nfs/dbraw/zinc/34/83/21/593348321.db2.gz HPBNGVBENCLZSB-YCPHGPKFSA-N 2 2 338.521 1.654 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000809995312 593374321 /nfs/dbraw/zinc/37/43/21/593374321.db2.gz OVTBLCCXGVSLQQ-OAHLLOKOSA-N 2 2 333.432 1.481 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000806664883 593462752 /nfs/dbraw/zinc/46/27/52/593462752.db2.gz BMMKJTNQJLEZKH-RYRKJORJSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000806664883 593462753 /nfs/dbraw/zinc/46/27/53/593462753.db2.gz BMMKJTNQJLEZKH-RYRKJORJSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000811814381 593483508 /nfs/dbraw/zinc/48/35/08/593483508.db2.gz WXSQPNNKTCSLQC-RHSMWYFYSA-N 2 2 329.485 1.726 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@H]1C[NH3+] ZINC000817880500 593643830 /nfs/dbraw/zinc/64/38/30/593643830.db2.gz XEHHRLVZRDSELO-FRRDWIJNSA-N 2 2 329.466 1.335 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@H]1C[NH3+] ZINC000817880500 593643831 /nfs/dbraw/zinc/64/38/31/593643831.db2.gz XEHHRLVZRDSELO-FRRDWIJNSA-N 2 2 329.466 1.335 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000817889544 593645534 /nfs/dbraw/zinc/64/55/34/593645534.db2.gz OZURDIBLPQRPGB-FUHWJXTLSA-N 3 2 327.432 1.432 20 0 EDADLP C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817892024 593645692 /nfs/dbraw/zinc/64/56/92/593645692.db2.gz IZIXGELXWBUXEA-GDBMZVCRSA-N 2 2 325.478 1.226 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1cccc2[nH]ccc21 ZINC000818986278 593732415 /nfs/dbraw/zinc/73/24/15/593732415.db2.gz KAIBRZVNZJDOEP-ARFHVFGLSA-N 2 2 345.443 1.360 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1cccc2[nH]ccc21 ZINC000818986278 593732416 /nfs/dbraw/zinc/73/24/16/593732416.db2.gz KAIBRZVNZJDOEP-ARFHVFGLSA-N 2 2 345.443 1.360 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H](O)C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000819084032 593737912 /nfs/dbraw/zinc/73/79/12/593737912.db2.gz ANTAPQZIECCKPQ-INIZCTEOSA-N 2 2 349.456 1.610 20 0 EDADLP CN(C)c1[nH+]cccc1CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821590857 593872334 /nfs/dbraw/zinc/87/23/34/593872334.db2.gz JMYZRFWYWXGXHN-UHFFFAOYSA-N 2 2 346.398 1.910 20 0 EDADLP CC[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000820902960 593918728 /nfs/dbraw/zinc/91/87/28/593918728.db2.gz XRJQNIJUJOSTOG-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000820902960 593918730 /nfs/dbraw/zinc/91/87/30/593918730.db2.gz XRJQNIJUJOSTOG-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP Cc1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c(N(C)C)[nH+]1 ZINC000822078646 593990888 /nfs/dbraw/zinc/99/08/88/593990888.db2.gz QRTTWQLHBNUBIQ-ZIAGYGMSSA-N 2 2 335.452 1.687 20 0 EDADLP Cc1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c(N(C)C)[nH+]1 ZINC000822078646 593990890 /nfs/dbraw/zinc/99/08/90/593990890.db2.gz QRTTWQLHBNUBIQ-ZIAGYGMSSA-N 2 2 335.452 1.687 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/c3cn(C)cn3)CC2)CC1 ZINC000823114411 594155479 /nfs/dbraw/zinc/15/54/79/594155479.db2.gz VSVKFOSLKCFVFL-AATRIKPKSA-N 2 2 345.491 1.452 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/c3cn(C)cn3)CC2)CC1 ZINC000823114411 594155480 /nfs/dbraw/zinc/15/54/80/594155480.db2.gz VSVKFOSLKCFVFL-AATRIKPKSA-N 2 2 345.491 1.452 20 0 EDADLP CO[C@H]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)Cc3ccc[nH+]c3N2C1 ZINC000825259410 594157277 /nfs/dbraw/zinc/15/72/77/594157277.db2.gz OWVKHXSVSFZLQM-HOTGVXAUSA-N 2 2 330.432 1.113 20 0 EDADLP CCCN(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](C)C1 ZINC000826052551 594318631 /nfs/dbraw/zinc/31/86/31/594318631.db2.gz OEKUVPIJQMZRGZ-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CCCN(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000826052551 594318634 /nfs/dbraw/zinc/31/86/34/594318634.db2.gz OEKUVPIJQMZRGZ-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000826181999 594366260 /nfs/dbraw/zinc/36/62/60/594366260.db2.gz WFJMLDLUCDHHEP-WFASDCNBSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000826181999 594366262 /nfs/dbraw/zinc/36/62/62/594366262.db2.gz WFJMLDLUCDHHEP-WFASDCNBSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000826181999 594366264 /nfs/dbraw/zinc/36/62/64/594366264.db2.gz WFJMLDLUCDHHEP-WFASDCNBSA-N 2 2 330.436 1.790 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000826181999 594366265 /nfs/dbraw/zinc/36/62/65/594366265.db2.gz WFJMLDLUCDHHEP-WFASDCNBSA-N 2 2 330.436 1.790 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000828366313 594402158 /nfs/dbraw/zinc/40/21/58/594402158.db2.gz BXFJZVPIOIFHGQ-UHFFFAOYSA-N 2 2 327.432 1.233 20 0 EDADLP Cc1ccnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826313108 594420549 /nfs/dbraw/zinc/42/05/49/594420549.db2.gz WISCLLHOFZVUGB-CYBMUJFWSA-N 2 2 342.451 1.151 20 0 EDADLP Cc1ccnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826313108 594420551 /nfs/dbraw/zinc/42/05/51/594420551.db2.gz WISCLLHOFZVUGB-CYBMUJFWSA-N 2 2 342.451 1.151 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826515111 594513268 /nfs/dbraw/zinc/51/32/68/594513268.db2.gz NFHLCECEIYEJRC-WFASDCNBSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826515111 594513269 /nfs/dbraw/zinc/51/32/69/594513269.db2.gz NFHLCECEIYEJRC-WFASDCNBSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826515111 594513270 /nfs/dbraw/zinc/51/32/70/594513270.db2.gz NFHLCECEIYEJRC-WFASDCNBSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826515111 594513271 /nfs/dbraw/zinc/51/32/71/594513271.db2.gz NFHLCECEIYEJRC-WFASDCNBSA-N 2 2 328.420 1.908 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826662044 594549150 /nfs/dbraw/zinc/54/91/50/594549150.db2.gz XHIOZZGCUGYBIF-GNJLHFKMSA-N 2 2 335.492 1.788 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826662044 594549153 /nfs/dbraw/zinc/54/91/53/594549153.db2.gz XHIOZZGCUGYBIF-GNJLHFKMSA-N 2 2 335.492 1.788 20 0 EDADLP CN(C(=O)Cc1ncc[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166210 594573371 /nfs/dbraw/zinc/57/33/71/594573371.db2.gz SMQVOJDDYYEFKA-IRXDYDNUSA-N 2 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1ncc[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166210 594573373 /nfs/dbraw/zinc/57/33/73/594573373.db2.gz SMQVOJDDYYEFKA-IRXDYDNUSA-N 2 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166210 594573374 /nfs/dbraw/zinc/57/33/74/594573374.db2.gz SMQVOJDDYYEFKA-IRXDYDNUSA-N 3 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166210 594573376 /nfs/dbraw/zinc/57/33/76/594573376.db2.gz SMQVOJDDYYEFKA-IRXDYDNUSA-N 3 2 347.507 1.748 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000831211760 594581950 /nfs/dbraw/zinc/58/19/50/594581950.db2.gz JINVYYBRWUTMKU-NWDGAFQWSA-N 2 2 327.498 1.321 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000827430237 594671289 /nfs/dbraw/zinc/67/12/89/594671289.db2.gz ONUGVPSSNOYNNH-SFHVURJKSA-N 2 2 334.508 1.242 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC000827430237 594671290 /nfs/dbraw/zinc/67/12/90/594671290.db2.gz ONUGVPSSNOYNNH-SFHVURJKSA-N 2 2 334.508 1.242 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000841087240 594849039 /nfs/dbraw/zinc/84/90/39/594849039.db2.gz SAQINSSCODWILV-IBGZPJMESA-N 3 2 332.492 1.690 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c(N(C)C)[nH+]1 ZINC000841176342 594863687 /nfs/dbraw/zinc/86/36/87/594863687.db2.gz LMARKGIFJIMVDX-OAHLLOKOSA-N 2 2 347.463 1.418 20 0 EDADLP COc1ccc2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc2c1 ZINC000841238222 594874526 /nfs/dbraw/zinc/87/45/26/594874526.db2.gz CEFFOTUUJIHFGY-INIZCTEOSA-N 2 2 328.416 1.955 20 0 EDADLP COc1ccc2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc2c1 ZINC000841238222 594874527 /nfs/dbraw/zinc/87/45/27/594874527.db2.gz CEFFOTUUJIHFGY-INIZCTEOSA-N 2 2 328.416 1.955 20 0 EDADLP C[C@]1(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CCC[NH2+]C1 ZINC000841690369 594937820 /nfs/dbraw/zinc/93/78/20/594937820.db2.gz JYWQRELRVUPNSR-KRWDZBQOSA-N 2 2 328.420 1.456 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c21)[NH+]1CCOCC1 ZINC000836211864 594939111 /nfs/dbraw/zinc/93/91/11/594939111.db2.gz MOJXPFYTVVXIRO-JKSUJKDBSA-N 2 2 349.479 1.764 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000841825276 594958773 /nfs/dbraw/zinc/95/87/73/594958773.db2.gz NCTUEHOLEHCNCL-ROUUACIJSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000841825276 594958774 /nfs/dbraw/zinc/95/87/74/594958774.db2.gz NCTUEHOLEHCNCL-ROUUACIJSA-N 2 2 346.475 1.439 20 0 EDADLP C[C@@H](CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)[NH+](C)C ZINC000836622533 594981402 /nfs/dbraw/zinc/98/14/02/594981402.db2.gz FFMIJMWHFHBDOA-HNNXBMFYSA-N 2 2 347.507 1.971 20 0 EDADLP C[C@@H](CNC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1)[NH+](C)C ZINC000836622533 594981404 /nfs/dbraw/zinc/98/14/04/594981404.db2.gz FFMIJMWHFHBDOA-HNNXBMFYSA-N 2 2 347.507 1.971 20 0 EDADLP CCC[NH2+]CCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000841962467 594990428 /nfs/dbraw/zinc/99/04/28/594990428.db2.gz ZQVMNNDVAYPDBQ-UHFFFAOYSA-N 2 2 327.498 1.195 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000842057249 595010994 /nfs/dbraw/zinc/01/09/94/595010994.db2.gz JBGFXAGOMJUYSZ-UHFFFAOYSA-N 2 2 343.431 1.122 20 0 EDADLP C[C@@]1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC[NH2+]C1 ZINC000843206592 595035056 /nfs/dbraw/zinc/03/50/56/595035056.db2.gz ZGLZGSLFARCVEB-MAUKXSAKSA-N 2 2 328.416 1.894 20 0 EDADLP C[C@@]1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC[NH2+]C1 ZINC000843206592 595035059 /nfs/dbraw/zinc/03/50/59/595035059.db2.gz ZGLZGSLFARCVEB-MAUKXSAKSA-N 2 2 328.416 1.894 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000837134207 595041018 /nfs/dbraw/zinc/04/10/18/595041018.db2.gz DSYACTFVPXREMB-UHFFFAOYSA-N 2 2 329.448 1.480 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC000843357819 595086546 /nfs/dbraw/zinc/08/65/46/595086546.db2.gz VMJAZSROSPOKLK-OAHLLOKOSA-N 2 2 332.448 1.003 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[NH2+]C1 ZINC000843357819 595086551 /nfs/dbraw/zinc/08/65/51/595086551.db2.gz VMJAZSROSPOKLK-OAHLLOKOSA-N 2 2 332.448 1.003 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843362670 595087682 /nfs/dbraw/zinc/08/76/82/595087682.db2.gz MXPHPPUOEOXDBK-GJZGRUSLSA-N 2 2 346.475 1.680 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843362670 595087686 /nfs/dbraw/zinc/08/76/86/595087686.db2.gz MXPHPPUOEOXDBK-GJZGRUSLSA-N 2 2 346.475 1.680 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1[NH3+] ZINC000843377078 595093452 /nfs/dbraw/zinc/09/34/52/595093452.db2.gz JCOVVWYVESKQER-LOWVWBTDSA-N 2 2 331.420 1.655 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1[NH3+] ZINC000843377078 595093456 /nfs/dbraw/zinc/09/34/56/595093456.db2.gz JCOVVWYVESKQER-LOWVWBTDSA-N 2 2 331.420 1.655 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000121595320 595117135 /nfs/dbraw/zinc/11/71/35/595117135.db2.gz DBIHATCVMIZCSS-HACGYAERSA-N 2 2 331.420 1.444 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C(=O)N[C@](C)(C3CC3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000121595320 595117137 /nfs/dbraw/zinc/11/71/37/595117137.db2.gz DBIHATCVMIZCSS-HACGYAERSA-N 2 2 331.420 1.444 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C[C@H]1C[NH3+] ZINC000846226583 595179625 /nfs/dbraw/zinc/17/96/25/595179625.db2.gz QBDSSXUCRYDKQH-KBAYOESNSA-N 2 2 331.460 1.786 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)C[C@H]1C[NH3+] ZINC000846226583 595179626 /nfs/dbraw/zinc/17/96/26/595179626.db2.gz QBDSSXUCRYDKQH-KBAYOESNSA-N 2 2 331.460 1.786 20 0 EDADLP COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000842966927 595248717 /nfs/dbraw/zinc/24/87/17/595248717.db2.gz QRVHDOABAPXHPJ-CJNGLKHVSA-N 2 2 333.388 1.227 20 0 EDADLP COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000842966927 595248718 /nfs/dbraw/zinc/24/87/18/595248718.db2.gz QRVHDOABAPXHPJ-CJNGLKHVSA-N 2 2 333.388 1.227 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH3+])cc2)c(N(C)C)[nH+]1 ZINC000843053869 595275867 /nfs/dbraw/zinc/27/58/67/595275867.db2.gz VMLMMNGMRQDBFX-UHFFFAOYSA-N 2 2 341.415 1.170 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H](O)c3cnn(C)c3)c2cc1C ZINC000843094494 595286353 /nfs/dbraw/zinc/28/63/53/595286353.db2.gz UKIRAWJFHJQJKH-YJBOKZPZSA-N 2 2 343.431 1.071 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCC([NH3+])CC1 ZINC000844220160 595305659 /nfs/dbraw/zinc/30/56/59/595305659.db2.gz AKICAYYJFDFOEK-UHFFFAOYSA-N 3 2 344.503 1.533 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCC([NH3+])CC1 ZINC000844220160 595305661 /nfs/dbraw/zinc/30/56/61/595305661.db2.gz AKICAYYJFDFOEK-UHFFFAOYSA-N 3 2 344.503 1.533 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ncc(C2(O)CCCCC2)s1 ZINC000846717008 595305992 /nfs/dbraw/zinc/30/59/92/595305992.db2.gz JMLVUVJBBXFJEO-NSHDSACASA-N 2 2 326.466 1.512 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221130 595306178 /nfs/dbraw/zinc/30/61/78/595306178.db2.gz WBZXIGWPNHDRMT-GOSISDBHSA-N 2 2 348.491 1.767 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221130 595306180 /nfs/dbraw/zinc/30/61/80/595306180.db2.gz WBZXIGWPNHDRMT-GOSISDBHSA-N 2 2 348.491 1.767 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000844223369 595308162 /nfs/dbraw/zinc/30/81/62/595308162.db2.gz VLIMUWVWMATYIK-HRCADAONSA-N 2 2 328.460 1.765 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000844223369 595308164 /nfs/dbraw/zinc/30/81/64/595308164.db2.gz VLIMUWVWMATYIK-HRCADAONSA-N 2 2 328.460 1.765 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000848531991 595403216 /nfs/dbraw/zinc/40/32/16/595403216.db2.gz YNYNIJMQYAQJMN-JKSUJKDBSA-N 2 2 339.480 1.839 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000849099070 595481917 /nfs/dbraw/zinc/48/19/17/595481917.db2.gz GATJPFGOCHXNSH-AWEZNQCLSA-N 2 2 345.426 1.709 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000849099070 595481918 /nfs/dbraw/zinc/48/19/18/595481918.db2.gz GATJPFGOCHXNSH-AWEZNQCLSA-N 2 2 345.426 1.709 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000849325757 595506411 /nfs/dbraw/zinc/50/64/11/595506411.db2.gz RKULWZRQOACHKU-DYVFJYSZSA-N 2 2 329.485 1.725 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000849325757 595506412 /nfs/dbraw/zinc/50/64/12/595506412.db2.gz RKULWZRQOACHKU-DYVFJYSZSA-N 2 2 329.485 1.725 20 0 EDADLP COc1cc(N)c(Cl)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000852847540 595572645 /nfs/dbraw/zinc/57/26/45/595572645.db2.gz TZIXBRHNLHAFJI-UHFFFAOYSA-N 2 2 342.871 1.544 20 0 EDADLP COc1cc(N)c(Cl)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000852847540 595572648 /nfs/dbraw/zinc/57/26/48/595572648.db2.gz TZIXBRHNLHAFJI-UHFFFAOYSA-N 2 2 342.871 1.544 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)C=C2CC[NH2+]CC2)c2cccs2)CC1 ZINC000852871918 595591261 /nfs/dbraw/zinc/59/12/61/595591261.db2.gz FGCIEQJWRZHTNY-INIZCTEOSA-N 2 2 348.516 1.463 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046034 595689613 /nfs/dbraw/zinc/68/96/13/595689613.db2.gz GCPWRPKNFRZWIL-ROUUACIJSA-N 2 2 331.460 1.869 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046034 595689616 /nfs/dbraw/zinc/68/96/16/595689616.db2.gz GCPWRPKNFRZWIL-ROUUACIJSA-N 2 2 331.460 1.869 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858122845 595704736 /nfs/dbraw/zinc/70/47/36/595704736.db2.gz JZQJNUHDZCICLC-UHFFFAOYSA-N 2 2 345.285 1.773 20 0 EDADLP CN(c1cc(Cl)[nH]c(=O)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000858408755 595787939 /nfs/dbraw/zinc/78/79/39/595787939.db2.gz ZXPKHZMZKAEJRA-GFCCVEGCSA-N 2 2 325.844 1.440 20 0 EDADLP CN(c1cc(Cl)[nH]c(=O)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000858408755 595787941 /nfs/dbraw/zinc/78/79/41/595787941.db2.gz ZXPKHZMZKAEJRA-GFCCVEGCSA-N 2 2 325.844 1.440 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+]2CCC([C@@H]3CCCCO3)CC2)C1 ZINC000853573291 595809542 /nfs/dbraw/zinc/80/95/42/595809542.db2.gz WXROEJNDFDINJK-WMZOPIPTSA-N 2 2 346.475 1.975 20 0 EDADLP C[C@H](O)c1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000853591712 595819403 /nfs/dbraw/zinc/81/94/03/595819403.db2.gz VPDOAQVDTUGBLD-HNNXBMFYSA-N 2 2 336.480 1.423 20 0 EDADLP C[C@H](O)c1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000853591712 595819405 /nfs/dbraw/zinc/81/94/05/595819405.db2.gz VPDOAQVDTUGBLD-HNNXBMFYSA-N 2 2 336.480 1.423 20 0 EDADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858602321 595839319 /nfs/dbraw/zinc/83/93/19/595839319.db2.gz WOKYMTKSMDDIRJ-YOEHRIQHSA-N 2 2 333.432 1.751 20 0 EDADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000858602321 595839324 /nfs/dbraw/zinc/83/93/24/595839324.db2.gz WOKYMTKSMDDIRJ-YOEHRIQHSA-N 2 2 333.432 1.751 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000853813323 595888693 /nfs/dbraw/zinc/88/86/93/595888693.db2.gz ZCCZALQIAAHKKM-UHFFFAOYSA-N 2 2 328.420 1.825 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000853813323 595888696 /nfs/dbraw/zinc/88/86/96/595888696.db2.gz ZCCZALQIAAHKKM-UHFFFAOYSA-N 2 2 328.420 1.825 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)S1 ZINC000851852865 595947860 /nfs/dbraw/zinc/94/78/60/595947860.db2.gz QTZSDWFTIVOARH-QLFBSQMISA-N 2 2 326.510 1.205 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)S1 ZINC000851852865 595947862 /nfs/dbraw/zinc/94/78/62/595947862.db2.gz QTZSDWFTIVOARH-QLFBSQMISA-N 2 2 326.510 1.205 20 0 EDADLP CCCOCCOC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000859080753 595970536 /nfs/dbraw/zinc/97/05/36/595970536.db2.gz QHWLFHIFGVSJEY-SJPCQFCGSA-N 2 2 339.480 1.792 20 0 EDADLP CCCOCCOC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000859080753 595970537 /nfs/dbraw/zinc/97/05/37/595970537.db2.gz QHWLFHIFGVSJEY-SJPCQFCGSA-N 2 2 339.480 1.792 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851988987 595998410 /nfs/dbraw/zinc/99/84/10/595998410.db2.gz RBBMXCANOYRBPG-QLFBSQMISA-N 2 2 329.485 1.533 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851988987 595998411 /nfs/dbraw/zinc/99/84/11/595998411.db2.gz RBBMXCANOYRBPG-QLFBSQMISA-N 2 2 329.485 1.533 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851988987 595998412 /nfs/dbraw/zinc/99/84/12/595998412.db2.gz RBBMXCANOYRBPG-QLFBSQMISA-N 2 2 329.485 1.533 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851988987 595998413 /nfs/dbraw/zinc/99/84/13/595998413.db2.gz RBBMXCANOYRBPG-QLFBSQMISA-N 2 2 329.485 1.533 20 0 EDADLP COC(=O)c1nc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)ccc1Cl ZINC000854221139 596006850 /nfs/dbraw/zinc/00/68/50/596006850.db2.gz HCDDZPCULRLZHY-CMPLNLGQSA-N 2 2 327.812 1.378 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214226 596006878 /nfs/dbraw/zinc/00/68/78/596006878.db2.gz ODSCNVSOZNMZJZ-KRWDZBQOSA-N 3 2 346.519 1.733 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214226 596006881 /nfs/dbraw/zinc/00/68/81/596006881.db2.gz ODSCNVSOZNMZJZ-KRWDZBQOSA-N 3 2 346.519 1.733 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852010893 596006981 /nfs/dbraw/zinc/00/69/81/596006981.db2.gz VLMPEUGCDKFHLP-QGZVFWFLSA-N 2 2 325.497 1.870 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852010893 596006984 /nfs/dbraw/zinc/00/69/84/596006984.db2.gz VLMPEUGCDKFHLP-QGZVFWFLSA-N 2 2 325.497 1.870 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000854224041 596007629 /nfs/dbraw/zinc/00/76/29/596007629.db2.gz VBKWYPNIINMHDO-AAEUAGOBSA-N 2 2 338.395 1.512 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])c1[nH+]ccn1C ZINC000861550084 596026411 /nfs/dbraw/zinc/02/64/11/596026411.db2.gz BJGQCNXUIXIBNG-DOMZBBRYSA-N 2 2 331.420 1.507 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000861553561 596027931 /nfs/dbraw/zinc/02/79/31/596027931.db2.gz SJULBJBJFWUCBB-IHRRRGAJSA-N 2 2 335.452 1.184 20 0 EDADLP CC(C)(C)OC(=O)N1CC(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000859281755 596031099 /nfs/dbraw/zinc/03/10/99/596031099.db2.gz WXQURZOYYVGWHP-UHFFFAOYSA-N 2 2 335.452 1.789 20 0 EDADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCOCC3)c2)C1 ZINC000856734575 596065406 /nfs/dbraw/zinc/06/54/06/596065406.db2.gz RSSCOBHZOJOPJS-SFHVURJKSA-N 2 2 331.460 1.558 20 0 EDADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCOCC3)c2)C1 ZINC000856734575 596065410 /nfs/dbraw/zinc/06/54/10/596065410.db2.gz RSSCOBHZOJOPJS-SFHVURJKSA-N 2 2 331.460 1.558 20 0 EDADLP CC1(C)CC[C@H](CO)[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000856803830 596087439 /nfs/dbraw/zinc/08/74/39/596087439.db2.gz MZMDSBJKFCPSIH-MRXNPFEDSA-N 2 2 349.475 1.407 20 0 EDADLP CC1(C)CC[C@H](CO)[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000856803830 596087440 /nfs/dbraw/zinc/08/74/40/596087440.db2.gz MZMDSBJKFCPSIH-MRXNPFEDSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000859616563 596147376 /nfs/dbraw/zinc/14/73/76/596147376.db2.gz VDBFDHGCLDIPMJ-BZUAXINKSA-N 2 2 326.481 1.743 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000859616563 596147378 /nfs/dbraw/zinc/14/73/78/596147378.db2.gz VDBFDHGCLDIPMJ-BZUAXINKSA-N 2 2 326.481 1.743 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857113673 596160441 /nfs/dbraw/zinc/16/04/41/596160441.db2.gz FYNMUUIODAIXNZ-HNNXBMFYSA-N 2 2 334.464 1.568 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000864565771 596266948 /nfs/dbraw/zinc/26/69/48/596266948.db2.gz LJRRWMQFHFZXDT-OWOJBTEDSA-N 2 2 345.443 1.346 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc[nH+]c3N3CCCC3)CC[C@@H]21 ZINC000868765407 596299034 /nfs/dbraw/zinc/29/90/34/596299034.db2.gz TZRFFQGBUHQVEW-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc[nH+]c3N3CCCC3)CC[C@@H]21 ZINC000868765407 596299036 /nfs/dbraw/zinc/29/90/36/596299036.db2.gz TZRFFQGBUHQVEW-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP Cc1nc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cs1 ZINC000870667201 596315820 /nfs/dbraw/zinc/31/58/20/596315820.db2.gz FYKWNIJCRRLASQ-UHFFFAOYSA-N 2 2 331.445 1.780 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CC[NH2+]CC3CC3)c[nH+]2)C[C@H](C)O1 ZINC000870866062 596382456 /nfs/dbraw/zinc/38/24/56/596382456.db2.gz LIRXDLHAUBKGTA-GJZGRUSLSA-N 2 2 346.475 1.701 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CC[NH2+]CC2CC2)[NH+]2CCOCC2)cc1 ZINC000870870394 596384761 /nfs/dbraw/zinc/38/47/61/596384761.db2.gz SOBFAMRENNFQAB-IBGZPJMESA-N 2 2 345.487 1.874 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000870886088 596390287 /nfs/dbraw/zinc/39/02/87/596390287.db2.gz UKEDFESWWOZYQK-FHWLQOOXSA-N 2 2 345.487 1.564 20 0 EDADLP C[NH+](C)CCOc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000864927018 596418814 /nfs/dbraw/zinc/41/88/14/596418814.db2.gz QUBMFODMHKCHFT-ARJAWSKDSA-N 2 2 333.432 1.454 20 0 EDADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000869263562 596466225 /nfs/dbraw/zinc/46/62/25/596466225.db2.gz VLVXOEWDWUMAFT-RDJZCZTQSA-N 2 2 328.416 1.219 20 0 EDADLP Cc1cc(CNC(=S)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000865232656 596518775 /nfs/dbraw/zinc/51/87/75/596518775.db2.gz XPAFBTFBAFNPAD-ZDUSSCGKSA-N 2 2 337.493 1.116 20 0 EDADLP Cc1cc(CNC(=S)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000865232656 596518777 /nfs/dbraw/zinc/51/87/77/596518777.db2.gz XPAFBTFBAFNPAD-ZDUSSCGKSA-N 2 2 337.493 1.116 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000871286142 596525004 /nfs/dbraw/zinc/52/50/04/596525004.db2.gz ZVMFPIHJRNSHCQ-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000871286142 596525007 /nfs/dbraw/zinc/52/50/07/596525007.db2.gz ZVMFPIHJRNSHCQ-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000871286142 596525010 /nfs/dbraw/zinc/52/50/10/596525010.db2.gz ZVMFPIHJRNSHCQ-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000871286142 596525012 /nfs/dbraw/zinc/52/50/12/596525012.db2.gz ZVMFPIHJRNSHCQ-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cc(CNC(=S)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)no1 ZINC000865254501 596525110 /nfs/dbraw/zinc/52/51/10/596525110.db2.gz ZSYJIDCMEGJYKK-UHFFFAOYSA-N 2 2 346.460 1.616 20 0 EDADLP CCCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)nn1 ZINC000865410187 596565563 /nfs/dbraw/zinc/56/55/63/596565563.db2.gz LPJDQESMMHYBDI-UHFFFAOYSA-N 2 2 329.452 1.125 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000865428248 596571681 /nfs/dbraw/zinc/57/16/81/596571681.db2.gz RIAVWVMEEMASLA-HNNXBMFYSA-N 2 2 348.365 1.410 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865450387 596579413 /nfs/dbraw/zinc/57/94/13/596579413.db2.gz MGLGEJYGEKKSJH-GFCCVEGCSA-N 2 2 328.819 1.551 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc(Cl)c(F)c2)C1 ZINC000865450387 596579414 /nfs/dbraw/zinc/57/94/14/596579414.db2.gz MGLGEJYGEKKSJH-GFCCVEGCSA-N 2 2 328.819 1.551 20 0 EDADLP c1c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nnn1C[C@@H]1CCCO1 ZINC000865462647 596582573 /nfs/dbraw/zinc/58/25/73/596582573.db2.gz ONUWXJNYBRXLJG-MSOLQXFVSA-N 2 2 349.479 1.190 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000867857938 596588429 /nfs/dbraw/zinc/58/84/29/596588429.db2.gz PPUGBQGSPJFNSR-MGPQQGTHSA-N 2 2 333.398 1.608 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000867857938 596588430 /nfs/dbraw/zinc/58/84/30/596588430.db2.gz PPUGBQGSPJFNSR-MGPQQGTHSA-N 2 2 333.398 1.608 20 0 EDADLP COc1ncc(Br)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000865508567 596594300 /nfs/dbraw/zinc/59/43/00/596594300.db2.gz GIRJVPMJMKWAOP-ZDUSSCGKSA-N 2 2 332.242 1.255 20 0 EDADLP COCC[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)NC(=O)OC(C)(C)C ZINC000865532892 596602293 /nfs/dbraw/zinc/60/22/93/596602293.db2.gz RBTYYBMSSUTONY-UONOGXRCSA-N 2 2 338.452 1.717 20 0 EDADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)/C=C/C[NH+]3CCOCC3)cccc21 ZINC000867907165 596612190 /nfs/dbraw/zinc/61/21/90/596612190.db2.gz OUSFVLDCRXROAB-PFWMLDTASA-N 2 2 345.443 1.899 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000863644446 596641898 /nfs/dbraw/zinc/64/18/98/596641898.db2.gz WOJTXLPEEXJJQY-IBGZPJMESA-N 2 2 342.487 1.729 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000867997829 596648839 /nfs/dbraw/zinc/64/88/39/596648839.db2.gz KOUJLGUQJYPSNX-QYZOEREBSA-N 2 2 345.487 1.700 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000867997829 596648841 /nfs/dbraw/zinc/64/88/41/596648841.db2.gz KOUJLGUQJYPSNX-QYZOEREBSA-N 2 2 345.487 1.700 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000865727649 596661462 /nfs/dbraw/zinc/66/14/62/596661462.db2.gz DQYHTUUAFPAJSR-SARBKMAYSA-N 2 2 349.519 1.819 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000865727649 596661464 /nfs/dbraw/zinc/66/14/64/596661464.db2.gz DQYHTUUAFPAJSR-SARBKMAYSA-N 2 2 349.519 1.819 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=S)NC[C@@H]1CCC[NH+]1CC ZINC000871688721 596672477 /nfs/dbraw/zinc/67/24/77/596672477.db2.gz QQQJMSPRYLQIFC-CABCVRRESA-N 2 2 328.526 1.046 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000871688721 596672481 /nfs/dbraw/zinc/67/24/81/596672481.db2.gz QQQJMSPRYLQIFC-CABCVRRESA-N 2 2 328.526 1.046 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC000871688721 596672484 /nfs/dbraw/zinc/67/24/84/596672484.db2.gz QQQJMSPRYLQIFC-CABCVRRESA-N 2 2 328.526 1.046 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868175805 596711965 /nfs/dbraw/zinc/71/19/65/596711965.db2.gz BNFSILADRZMHDP-HNONPPJISA-N 2 2 344.459 1.828 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186945 596715432 /nfs/dbraw/zinc/71/54/32/596715432.db2.gz WTVMFWAICQMCSC-JKSUJKDBSA-N 2 2 332.448 1.734 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186945 596715434 /nfs/dbraw/zinc/71/54/34/596715434.db2.gz WTVMFWAICQMCSC-JKSUJKDBSA-N 2 2 332.448 1.734 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)Nc1cc2n(n1)CC[N@H+](C)C2 ZINC000868206493 596723619 /nfs/dbraw/zinc/72/36/19/596723619.db2.gz YRYNGGOWAQFQHT-UHFFFAOYSA-N 2 2 328.420 1.370 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2 ZINC000868206493 596723620 /nfs/dbraw/zinc/72/36/20/596723620.db2.gz YRYNGGOWAQFQHT-UHFFFAOYSA-N 2 2 328.420 1.370 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)[nH+]c12 ZINC000868330992 596789001 /nfs/dbraw/zinc/78/90/01/596789001.db2.gz PMPWOQKPTJIZAS-NVXWUHKLSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)[nH+]c12 ZINC000868330992 596789004 /nfs/dbraw/zinc/78/90/04/596789004.db2.gz PMPWOQKPTJIZAS-NVXWUHKLSA-N 2 2 341.459 1.921 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872146382 596810552 /nfs/dbraw/zinc/81/05/52/596810552.db2.gz MQOHTXASZCJDDQ-UHTWSYAYSA-N 2 2 345.321 1.665 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872146382 596810554 /nfs/dbraw/zinc/81/05/54/596810554.db2.gz MQOHTXASZCJDDQ-UHTWSYAYSA-N 2 2 345.321 1.665 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCCc2ccccc2)C[C@@H]1C(F)(F)F ZINC000872149004 596811798 /nfs/dbraw/zinc/81/17/98/596811798.db2.gz RXPXITYOAMULAP-CABCVRRESA-N 2 2 343.393 1.804 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCCc2ccccc2)C[C@@H]1C(F)(F)F ZINC000872149004 596811801 /nfs/dbraw/zinc/81/18/01/596811801.db2.gz RXPXITYOAMULAP-CABCVRRESA-N 2 2 343.393 1.804 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153359 596814840 /nfs/dbraw/zinc/81/48/40/596814840.db2.gz KHIFMULVUNASLL-QRCPMIHRSA-N 2 2 329.444 1.556 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153359 596814842 /nfs/dbraw/zinc/81/48/42/596814842.db2.gz KHIFMULVUNASLL-QRCPMIHRSA-N 2 2 329.444 1.556 20 0 EDADLP C[C@@]1(c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)C[NH2+]CCO1 ZINC000872178453 596821945 /nfs/dbraw/zinc/82/19/45/596821945.db2.gz WKIDRCZWWDIMTO-QAPCUYQASA-N 2 2 344.415 1.478 20 0 EDADLP C[C@@]1(c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)C[NH2+]CCO1 ZINC000872178453 596821947 /nfs/dbraw/zinc/82/19/47/596821947.db2.gz WKIDRCZWWDIMTO-QAPCUYQASA-N 2 2 344.415 1.478 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC[C@H]21 ZINC000866204060 596826240 /nfs/dbraw/zinc/82/62/40/596826240.db2.gz APCJNIQHBDAXNJ-ARFHVFGLSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC[C@H]21 ZINC000866204060 596826250 /nfs/dbraw/zinc/82/62/50/596826250.db2.gz APCJNIQHBDAXNJ-ARFHVFGLSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC[C@H]21 ZINC000866204060 596826253 /nfs/dbraw/zinc/82/62/53/596826253.db2.gz APCJNIQHBDAXNJ-ARFHVFGLSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3nc4c(cnn4C(C)(C)C)c(N)[nH+]3)CC[C@H]21 ZINC000866207296 596827780 /nfs/dbraw/zinc/82/77/80/596827780.db2.gz CKGOVAULFNIBNN-DGCLKSJQSA-N 2 2 329.452 1.694 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3nc4c(cnn4C(C)(C)C)c(N)[nH+]3)CC[C@H]21 ZINC000866207296 596827781 /nfs/dbraw/zinc/82/77/81/596827781.db2.gz CKGOVAULFNIBNN-DGCLKSJQSA-N 2 2 329.452 1.694 20 0 EDADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866236208 596835492 /nfs/dbraw/zinc/83/54/92/596835492.db2.gz VYJNAHWINHVJLJ-WMZOPIPTSA-N 2 2 342.443 1.814 20 0 EDADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866236208 596835495 /nfs/dbraw/zinc/83/54/95/596835495.db2.gz VYJNAHWINHVJLJ-WMZOPIPTSA-N 2 2 342.443 1.814 20 0 EDADLP O[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000872215257 596839090 /nfs/dbraw/zinc/83/90/90/596839090.db2.gz VLQUHRXCUBOUPI-RBUKOAKNSA-N 2 2 327.428 1.342 20 0 EDADLP O[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000872215257 596839093 /nfs/dbraw/zinc/83/90/93/596839093.db2.gz VLQUHRXCUBOUPI-RBUKOAKNSA-N 2 2 327.428 1.342 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000872217660 596839858 /nfs/dbraw/zinc/83/98/58/596839858.db2.gz CFCXVZQOPABHQX-BBRMVZONSA-N 2 2 338.448 1.172 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000872217660 596839860 /nfs/dbraw/zinc/83/98/60/596839860.db2.gz CFCXVZQOPABHQX-BBRMVZONSA-N 2 2 338.448 1.172 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000870332778 596841267 /nfs/dbraw/zinc/84/12/67/596841267.db2.gz YGSOVNVZNSWOKH-STQMWFEESA-N 2 2 347.431 1.028 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000870332778 596841270 /nfs/dbraw/zinc/84/12/70/596841270.db2.gz YGSOVNVZNSWOKH-STQMWFEESA-N 2 2 347.431 1.028 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872225548 596843427 /nfs/dbraw/zinc/84/34/27/596843427.db2.gz CNPCNPRSSIXMQC-WOJBJXKFSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000872225548 596843436 /nfs/dbraw/zinc/84/34/36/596843436.db2.gz CNPCNPRSSIXMQC-WOJBJXKFSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000872225548 596843438 /nfs/dbraw/zinc/84/34/38/596843438.db2.gz CNPCNPRSSIXMQC-WOJBJXKFSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000872225548 596843442 /nfs/dbraw/zinc/84/34/42/596843442.db2.gz CNPCNPRSSIXMQC-WOJBJXKFSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1CN1CCO[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872225548 596843446 /nfs/dbraw/zinc/84/34/46/596843446.db2.gz CNPCNPRSSIXMQC-WOJBJXKFSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1CN1CCO[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000872225548 596843450 /nfs/dbraw/zinc/84/34/50/596843450.db2.gz CNPCNPRSSIXMQC-WOJBJXKFSA-N 2 2 347.503 1.241 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000866318999 596854849 /nfs/dbraw/zinc/85/48/49/596854849.db2.gz AFIGTWYWTAEKRN-UHFFFAOYSA-N 2 2 346.406 1.339 20 0 EDADLP C[C@H](NC(=O)N1CCN(C)c2[nH+]cccc2C1)C1=CC[N@H+](C)CC1 ZINC000868489207 596858801 /nfs/dbraw/zinc/85/88/01/596858801.db2.gz SEGNAOVYORHJHR-AWEZNQCLSA-N 2 2 329.448 1.693 20 0 EDADLP C[C@H](NC(=O)N1CCN(C)c2[nH+]cccc2C1)C1=CC[N@@H+](C)CC1 ZINC000868489207 596858802 /nfs/dbraw/zinc/85/88/02/596858802.db2.gz SEGNAOVYORHJHR-AWEZNQCLSA-N 2 2 329.448 1.693 20 0 EDADLP Cc1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000124771868 596897508 /nfs/dbraw/zinc/89/75/08/596897508.db2.gz BQYUUNDCRRMUSY-JKSUJKDBSA-N 2 2 349.479 1.787 20 0 EDADLP Cc1nc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000124771868 596897509 /nfs/dbraw/zinc/89/75/09/596897509.db2.gz BQYUUNDCRRMUSY-JKSUJKDBSA-N 2 2 349.479 1.787 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875578943 596903680 /nfs/dbraw/zinc/90/36/80/596903680.db2.gz OFEGUJKXVRBHDM-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875578943 596903683 /nfs/dbraw/zinc/90/36/83/596903683.db2.gz OFEGUJKXVRBHDM-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875591465 596908129 /nfs/dbraw/zinc/90/81/29/596908129.db2.gz MBMISQGTHARJDV-UHFFFAOYSA-N 2 2 325.416 1.448 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000874068619 596916053 /nfs/dbraw/zinc/91/60/53/596916053.db2.gz MPYMLFUOCCYMCM-UHFFFAOYSA-N 2 2 342.447 1.792 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(N(C)C)[nH+]1 ZINC000874370602 597044854 /nfs/dbraw/zinc/04/48/54/597044854.db2.gz YTTPYWRDVSIVHO-CABCVRRESA-N 2 2 345.447 1.090 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(N(C)C)[nH+]1 ZINC000874370602 597044857 /nfs/dbraw/zinc/04/48/57/597044857.db2.gz YTTPYWRDVSIVHO-CABCVRRESA-N 2 2 345.447 1.090 20 0 EDADLP COC1CC[NH+](CCNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000876207789 597136959 /nfs/dbraw/zinc/13/69/59/597136959.db2.gz HWUHBNONUSUIDC-GOSISDBHSA-N 2 2 346.475 1.583 20 0 EDADLP COC1CC[NH+](CCNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000876207789 597136963 /nfs/dbraw/zinc/13/69/63/597136963.db2.gz HWUHBNONUSUIDC-GOSISDBHSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000874709126 597154279 /nfs/dbraw/zinc/15/42/79/597154279.db2.gz XOPRAFKIQWFDQA-SFHVURJKSA-N 2 2 333.476 1.631 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000874709126 597154280 /nfs/dbraw/zinc/15/42/80/597154280.db2.gz XOPRAFKIQWFDQA-SFHVURJKSA-N 2 2 333.476 1.631 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1cccc(S(N)(=O)=O)c1 ZINC000873237113 597236012 /nfs/dbraw/zinc/23/60/12/597236012.db2.gz MPVOMYBDORPDPS-JSGCOSHPSA-N 2 2 325.478 1.763 20 0 EDADLP Cc1cccc(CN2CCO[C@H](C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)C2)c1 ZINC000873263891 597242681 /nfs/dbraw/zinc/24/26/81/597242681.db2.gz ABEYWPRIJHCQRS-MISYRCLQSA-N 2 2 347.503 1.552 20 0 EDADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(I)cnn1C ZINC000873275995 597245951 /nfs/dbraw/zinc/24/59/51/597245951.db2.gz MAHYXRPRBPTAOV-MWLCHTKSSA-N 2 2 348.232 1.502 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)O1 ZINC000876726261 597307390 /nfs/dbraw/zinc/30/73/90/597307390.db2.gz XMHGJXNFBORFHW-DZKIICNBSA-N 2 2 334.464 1.123 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000875171671 597313813 /nfs/dbraw/zinc/31/38/13/597313813.db2.gz IFUXKSPJLYQOFW-HOCLYGCPSA-N 2 2 331.464 1.916 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841994 597355430 /nfs/dbraw/zinc/35/54/30/597355430.db2.gz WLPJHMBASYLRTQ-GXTWGEPZSA-N 2 2 330.354 1.979 20 0 EDADLP Cc1nccnc1[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000875429564 597425158 /nfs/dbraw/zinc/42/51/58/597425158.db2.gz PFOBUKSEMRVLBQ-CQSZACIVSA-N 2 2 334.468 1.171 20 0 EDADLP O=S1(=O)CCC(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000877089458 597429266 /nfs/dbraw/zinc/42/92/66/597429266.db2.gz MVLSKDSFUVISHZ-IRXDYDNUSA-N 2 2 344.521 1.169 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000877248182 597478481 /nfs/dbraw/zinc/47/84/81/597478481.db2.gz HJHXABCEDJMZSI-RTBURBONSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000877248182 597478482 /nfs/dbraw/zinc/47/84/82/597478482.db2.gz HJHXABCEDJMZSI-RTBURBONSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]3[NH2+]CCC3(C)C)C2)c1 ZINC000877249221 597478995 /nfs/dbraw/zinc/47/89/95/597478995.db2.gz TXHRTNYZQNGCHC-ZWKOTPCHSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]3[NH2+]CCC3(C)C)C2)c1 ZINC000877249221 597478996 /nfs/dbraw/zinc/47/89/96/597478996.db2.gz TXHRTNYZQNGCHC-ZWKOTPCHSA-N 2 2 345.487 1.700 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257929 597481905 /nfs/dbraw/zinc/48/19/05/597481905.db2.gz UOPOIUKJFPZKFM-FXAWDEMLSA-N 2 2 346.519 1.669 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccccc1C[NH+]1CCOCC1)C2 ZINC000877375207 597504582 /nfs/dbraw/zinc/50/45/82/597504582.db2.gz UZYPDDGGJAHINJ-QFBILLFUSA-N 2 2 329.444 1.200 20 0 EDADLP CC1(C)C[C@H](C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C(C)(C)O1 ZINC000878291856 597593136 /nfs/dbraw/zinc/59/31/36/597593136.db2.gz BJVQEMVPUQHMCY-ZBFHGGJFSA-N 2 2 337.508 1.994 20 0 EDADLP CC1(C)C[C@H](C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C(C)(C)O1 ZINC000878291856 597593137 /nfs/dbraw/zinc/59/31/37/597593137.db2.gz BJVQEMVPUQHMCY-ZBFHGGJFSA-N 2 2 337.508 1.994 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883035679 597626570 /nfs/dbraw/zinc/62/65/70/597626570.db2.gz LIXTUCPAGYHBHK-MRXNPFEDSA-N 2 2 335.452 1.216 20 0 EDADLP C[NH+]1CC[C@@H]2C[NH+](CCCC[NH+]3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879578553 597640753 /nfs/dbraw/zinc/64/07/53/597640753.db2.gz UOAUPVGTUXSCLT-IYWMVGAKSA-N 4 2 334.552 1.819 20 0 EDADLP C[NH+]1CC[C@@H]2C[NH+](CCCC[NH+]3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)CC[C@H]21 ZINC000879578553 597640754 /nfs/dbraw/zinc/64/07/54/597640754.db2.gz UOAUPVGTUXSCLT-IYWMVGAKSA-N 4 2 334.552 1.819 20 0 EDADLP C[NH+]1CC[C@@H]2C[NH+](CCCC[N@@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)CC[C@H]21 ZINC000879578553 597640756 /nfs/dbraw/zinc/64/07/56/597640756.db2.gz UOAUPVGTUXSCLT-IYWMVGAKSA-N 4 2 334.552 1.819 20 0 EDADLP C[NH+]1CC[C@@H]2C[NH+](CCCC[N@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)CC[C@H]21 ZINC000879578553 597640757 /nfs/dbraw/zinc/64/07/57/597640757.db2.gz UOAUPVGTUXSCLT-IYWMVGAKSA-N 4 2 334.552 1.819 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000879673401 597681789 /nfs/dbraw/zinc/68/17/89/597681789.db2.gz JFPGVQVUXQRMAV-INIZCTEOSA-N 2 2 342.447 1.753 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000879673401 597681794 /nfs/dbraw/zinc/68/17/94/597681794.db2.gz JFPGVQVUXQRMAV-INIZCTEOSA-N 2 2 342.447 1.753 20 0 EDADLP COC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000883315125 597711579 /nfs/dbraw/zinc/71/15/79/597711579.db2.gz YQAMKKZZLRQLFV-HDICACEKSA-N 2 2 334.460 1.912 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+](C)C2(C[NH3+])CCCCC2)cc1 ZINC000883454850 597754207 /nfs/dbraw/zinc/75/42/07/597754207.db2.gz MXVINTAGCCCSNK-UHFFFAOYSA-N 2 2 325.478 1.688 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)C2(C[NH3+])CCCCC2)cc1 ZINC000883454850 597754209 /nfs/dbraw/zinc/75/42/09/597754209.db2.gz MXVINTAGCCCSNK-UHFFFAOYSA-N 2 2 325.478 1.688 20 0 EDADLP Cc1ccc(N2CC[NH+](CC(=O)NC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000878997690 597779917 /nfs/dbraw/zinc/77/99/17/597779917.db2.gz JDYXAMXFXUCKRB-UHFFFAOYSA-N 2 2 344.503 1.636 20 0 EDADLP C[N@H+](CCS(N)(=O)=O)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000880085464 597837037 /nfs/dbraw/zinc/83/70/37/597837037.db2.gz OLWSOPZYHMWFEJ-UHFFFAOYSA-N 2 2 325.478 1.393 20 0 EDADLP C[N@@H+](CCS(N)(=O)=O)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000880085464 597837038 /nfs/dbraw/zinc/83/70/38/597837038.db2.gz OLWSOPZYHMWFEJ-UHFFFAOYSA-N 2 2 325.478 1.393 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133352 597850410 /nfs/dbraw/zinc/85/04/10/597850410.db2.gz SUJPAHKLKRXFBH-QRQLOZEOSA-N 2 2 334.460 1.741 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133352 597850411 /nfs/dbraw/zinc/85/04/11/597850411.db2.gz SUJPAHKLKRXFBH-QRQLOZEOSA-N 2 2 334.460 1.741 20 0 EDADLP COc1cccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880133352 597850413 /nfs/dbraw/zinc/85/04/13/597850413.db2.gz SUJPAHKLKRXFBH-QRQLOZEOSA-N 2 2 334.460 1.741 20 0 EDADLP COc1cccc(COC[C@H](O)C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880133352 597850414 /nfs/dbraw/zinc/85/04/14/597850414.db2.gz SUJPAHKLKRXFBH-QRQLOZEOSA-N 2 2 334.460 1.741 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000884193208 598021875 /nfs/dbraw/zinc/02/18/75/598021875.db2.gz YWJOOHMKPKCTMI-UHFFFAOYSA-N 2 2 342.443 1.790 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]([NH3+])CCOC ZINC000884225044 598035709 /nfs/dbraw/zinc/03/57/09/598035709.db2.gz HFKZWUYKEVXLHB-MRXNPFEDSA-N 2 2 334.464 1.510 20 0 EDADLP CCc1nc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc(C)[nH+]1 ZINC000882814851 598068171 /nfs/dbraw/zinc/06/81/71/598068171.db2.gz UWPXVXXEFJQSLO-UHFFFAOYSA-N 2 2 331.464 1.658 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000939856360 699995149 /nfs/dbraw/zinc/99/51/49/699995149.db2.gz LFOQNFWRZMUYFB-PBHICJAKSA-N 2 2 330.407 1.701 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000939858020 699997121 /nfs/dbraw/zinc/99/71/21/699997121.db2.gz WJADGJYCWXOGIL-WBMJQRKESA-N 2 2 334.370 1.798 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000914411123 695392656 /nfs/dbraw/zinc/39/26/56/695392656.db2.gz FEQZAWKVVLXBMV-LBPRGKRZSA-N 2 2 327.498 1.734 20 0 EDADLP Cc1cccc(OCC[NH+]2CC(NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001031053167 695394938 /nfs/dbraw/zinc/39/49/38/695394938.db2.gz ZCWSRMTVYXNEMX-UHFFFAOYSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)s1 ZINC000939855267 699993083 /nfs/dbraw/zinc/99/30/83/699993083.db2.gz CIGVJSLRFYJBTB-SMDDNHRTSA-N 2 2 333.461 1.593 20 0 EDADLP Cn1nccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992857796 695417524 /nfs/dbraw/zinc/41/75/24/695417524.db2.gz KNFFZAIOHAQKEY-VNQPRFMTSA-N 2 2 342.447 1.103 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnns3)[C@@H]2C1 ZINC000992878872 695427225 /nfs/dbraw/zinc/42/72/25/695427225.db2.gz SUZMWHXCXFUNIN-YUTCNCBUSA-N 2 2 346.460 1.221 20 0 EDADLP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[NH+]1Cc1cccs1 ZINC000925416445 695593734 /nfs/dbraw/zinc/59/37/34/695593734.db2.gz ISNXYXHVSDTVHM-IHRRRGAJSA-N 2 2 340.468 1.664 20 0 EDADLP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[NH+]1Cc1cccs1 ZINC000925416445 695593737 /nfs/dbraw/zinc/59/37/37/695593737.db2.gz ISNXYXHVSDTVHM-IHRRRGAJSA-N 2 2 340.468 1.664 20 0 EDADLP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000925416445 695593739 /nfs/dbraw/zinc/59/37/39/695593739.db2.gz ISNXYXHVSDTVHM-IHRRRGAJSA-N 2 2 340.468 1.664 20 0 EDADLP C[NH+]1CC[C@H]1CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000925416445 695593741 /nfs/dbraw/zinc/59/37/41/695593741.db2.gz ISNXYXHVSDTVHM-IHRRRGAJSA-N 2 2 340.468 1.664 20 0 EDADLP CC[C@@H](C[NH+]1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1)OC ZINC001031161464 695626243 /nfs/dbraw/zinc/62/62/43/695626243.db2.gz QJFZSFYAQFAJBC-INIZCTEOSA-N 2 2 329.404 1.106 20 0 EDADLP Cc1ccc(OCC[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031260581 696067624 /nfs/dbraw/zinc/06/76/24/696067624.db2.gz RNRCNGFDBLYNFR-INIZCTEOSA-N 2 2 331.460 1.516 20 0 EDADLP Cc1ccc(OCC[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031260581 696067627 /nfs/dbraw/zinc/06/76/27/696067627.db2.gz RNRCNGFDBLYNFR-INIZCTEOSA-N 2 2 331.460 1.516 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)noc2C)[C@H]1C ZINC000993604192 696253940 /nfs/dbraw/zinc/25/39/40/696253940.db2.gz CMTHQARBBMWNNV-WMLDXEAASA-N 2 2 345.447 1.966 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)[C@@H]1C ZINC000993627254 696290997 /nfs/dbraw/zinc/29/09/97/696290997.db2.gz XNOSNLLWZQEZGV-NVXWUHKLSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)[C@@H]1C ZINC000993627254 696290998 /nfs/dbraw/zinc/29/09/98/696290998.db2.gz XNOSNLLWZQEZGV-NVXWUHKLSA-N 2 2 327.432 1.756 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000993815782 696388059 /nfs/dbraw/zinc/38/80/59/696388059.db2.gz JEQHVGWLAKVFEV-HOCLYGCPSA-N 2 2 347.463 1.036 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000993815782 696388062 /nfs/dbraw/zinc/38/80/62/696388062.db2.gz JEQHVGWLAKVFEV-HOCLYGCPSA-N 2 2 347.463 1.036 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000993815788 696388213 /nfs/dbraw/zinc/38/82/13/696388213.db2.gz JEQHVGWLAKVFEV-ZBFHGGJFSA-N 2 2 347.463 1.036 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000993815788 696388214 /nfs/dbraw/zinc/38/82/14/696388214.db2.gz JEQHVGWLAKVFEV-ZBFHGGJFSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CCC[N@@H+]1CCCO ZINC000994203630 696578524 /nfs/dbraw/zinc/57/85/24/696578524.db2.gz ARKBEOUPSBLCAS-ZBFHGGJFSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CCC[N@H+]1CCCO ZINC000994203630 696578526 /nfs/dbraw/zinc/57/85/26/696578526.db2.gz ARKBEOUPSBLCAS-ZBFHGGJFSA-N 2 2 343.431 1.232 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)s1 ZINC001015705470 696596320 /nfs/dbraw/zinc/59/63/20/696596320.db2.gz LWURMAURTDKZPU-CQSZACIVSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)s1 ZINC001015705470 696596322 /nfs/dbraw/zinc/59/63/22/696596322.db2.gz LWURMAURTDKZPU-CQSZACIVSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)s1 ZINC001015705470 696596324 /nfs/dbraw/zinc/59/63/24/696596324.db2.gz LWURMAURTDKZPU-CQSZACIVSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)s1 ZINC001015705470 696596326 /nfs/dbraw/zinc/59/63/26/696596326.db2.gz LWURMAURTDKZPU-CQSZACIVSA-N 2 2 336.505 1.874 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000994255235 696659849 /nfs/dbraw/zinc/65/98/49/696659849.db2.gz QDVKUDMHKPFJHE-RHSMWYFYSA-N 2 2 346.450 1.786 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000994255235 696659850 /nfs/dbraw/zinc/65/98/50/696659850.db2.gz QDVKUDMHKPFJHE-RHSMWYFYSA-N 2 2 346.450 1.786 20 0 EDADLP COc1nccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994402772 696825116 /nfs/dbraw/zinc/82/51/16/696825116.db2.gz BFXZMOKRBJBAPV-ZBFHGGJFSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994402772 696825119 /nfs/dbraw/zinc/82/51/19/696825119.db2.gz BFXZMOKRBJBAPV-ZBFHGGJFSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994402765 696825339 /nfs/dbraw/zinc/82/53/39/696825339.db2.gz BFXZMOKRBJBAPV-GDBMZVCRSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994402765 696825343 /nfs/dbraw/zinc/82/53/43/696825343.db2.gz BFXZMOKRBJBAPV-GDBMZVCRSA-N 2 2 347.463 1.050 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)cn2)[C@H]1C ZINC000994421919 696843668 /nfs/dbraw/zinc/84/36/68/696843668.db2.gz NLMRGWCLTXVPKN-YOEHRIQHSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)cn2)[C@H]1C ZINC000994421919 696843672 /nfs/dbraw/zinc/84/36/72/696843672.db2.gz NLMRGWCLTXVPKN-YOEHRIQHSA-N 2 2 342.447 1.459 20 0 EDADLP CCc1nocc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994502998 696940457 /nfs/dbraw/zinc/94/04/57/696940457.db2.gz DWQHMCSVSWFGMA-CJNGLKHVSA-N 2 2 331.420 1.603 20 0 EDADLP CCc1nocc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994502998 696940459 /nfs/dbraw/zinc/94/04/59/696940459.db2.gz DWQHMCSVSWFGMA-CJNGLKHVSA-N 2 2 331.420 1.603 20 0 EDADLP Cc1nc(CC[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cs1 ZINC000994512253 696955824 /nfs/dbraw/zinc/95/58/24/696955824.db2.gz XIUMIVJZJKBHRW-CZUORRHYSA-N 2 2 347.488 1.860 20 0 EDADLP Cc1nc(CC[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cs1 ZINC000994512253 696955826 /nfs/dbraw/zinc/95/58/26/696955826.db2.gz XIUMIVJZJKBHRW-CZUORRHYSA-N 2 2 347.488 1.860 20 0 EDADLP CCc1ccccc1CC[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031391306 697018686 /nfs/dbraw/zinc/01/86/86/697018686.db2.gz DDUPMOTYQUCDMU-UHFFFAOYSA-N 2 2 326.444 1.797 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCc1ccns1 ZINC000994537731 697076835 /nfs/dbraw/zinc/07/68/35/697076835.db2.gz TXKAILJCJDKEMX-ZFWWWQNUSA-N 2 2 333.461 1.551 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCc1ccns1 ZINC000994537731 697076836 /nfs/dbraw/zinc/07/68/36/697076836.db2.gz TXKAILJCJDKEMX-ZFWWWQNUSA-N 2 2 333.461 1.551 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000919726496 697324219 /nfs/dbraw/zinc/32/42/19/697324219.db2.gz LXTFVPBWNAZJOK-DLBZAZTESA-N 2 2 340.512 1.326 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000919726496 697324221 /nfs/dbraw/zinc/32/42/21/697324221.db2.gz LXTFVPBWNAZJOK-DLBZAZTESA-N 2 2 340.512 1.326 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)on1 ZINC001031667076 697448513 /nfs/dbraw/zinc/44/85/13/697448513.db2.gz XEKNCLPQFHHUNK-OAHLLOKOSA-N 2 2 336.436 1.104 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)on1 ZINC001031667076 697448514 /nfs/dbraw/zinc/44/85/14/697448514.db2.gz XEKNCLPQFHHUNK-OAHLLOKOSA-N 2 2 336.436 1.104 20 0 EDADLP C[C@@H](F)CC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031686678 697517252 /nfs/dbraw/zinc/51/72/52/697517252.db2.gz RYPVCXKLCSTURM-WBMJQRKESA-N 2 2 337.443 1.586 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943256346 698022052 /nfs/dbraw/zinc/02/20/52/698022052.db2.gz SHJSOYQVZWOPGT-IAGOWNOFSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000943256346 698022055 /nfs/dbraw/zinc/02/20/55/698022055.db2.gz SHJSOYQVZWOPGT-IAGOWNOFSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000943332353 698148863 /nfs/dbraw/zinc/14/88/63/698148863.db2.gz CEQTYQRDTNAQBI-BBRMVZONSA-N 2 2 348.495 1.172 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000943332353 698148867 /nfs/dbraw/zinc/14/88/67/698148867.db2.gz CEQTYQRDTNAQBI-BBRMVZONSA-N 2 2 348.495 1.172 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+]([C@H](C)c3cnccn3)C2)CC1 ZINC001032094861 698602658 /nfs/dbraw/zinc/60/26/58/698602658.db2.gz QFFDXRKWNULPTH-OAHLLOKOSA-N 2 2 345.491 1.706 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnsn2)C1 ZINC000995040513 700240762 /nfs/dbraw/zinc/24/07/62/700240762.db2.gz XAXLGDHYMWEEAO-STQMWFEESA-N 2 2 334.449 1.118 20 0 EDADLP C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943765228 698814205 /nfs/dbraw/zinc/81/42/05/698814205.db2.gz BQIMEMQCLSXSMV-DOTOQJQBSA-N 2 2 342.443 1.858 20 0 EDADLP C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943765228 698814210 /nfs/dbraw/zinc/81/42/10/698814210.db2.gz BQIMEMQCLSXSMV-DOTOQJQBSA-N 2 2 342.443 1.858 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)C[C@H]2C)CC1 ZINC000943756334 698831247 /nfs/dbraw/zinc/83/12/47/698831247.db2.gz OMXPAOWNHYSQCO-IAGOWNOFSA-N 2 2 345.491 1.535 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)C[C@H]2C)CC1 ZINC000943756334 698831251 /nfs/dbraw/zinc/83/12/51/698831251.db2.gz OMXPAOWNHYSQCO-IAGOWNOFSA-N 2 2 345.491 1.535 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154818 701556867 /nfs/dbraw/zinc/55/68/67/701556867.db2.gz TYRGJUIMRYHMJH-KBPBESRZSA-N 2 2 345.451 1.199 20 0 EDADLP CC1CC(C[NH+]2CC(N3CCN(C(=O)CCn4cc[nH+]c4)CC3)C2)C1 ZINC000941509853 701558841 /nfs/dbraw/zinc/55/88/41/701558841.db2.gz ZQYHAIGQPPTWPI-UHFFFAOYSA-N 2 2 345.491 1.148 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)ncn1 ZINC001031765294 699051293 /nfs/dbraw/zinc/05/12/93/699051293.db2.gz VAYIPXHXBMVRGW-UHFFFAOYSA-N 2 2 343.475 1.209 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031766935 699066862 /nfs/dbraw/zinc/06/68/62/699066862.db2.gz OIIXOZXJGFPSJK-ZWKOTPCHSA-N 2 2 346.450 1.786 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031766935 699066865 /nfs/dbraw/zinc/06/68/65/699066865.db2.gz OIIXOZXJGFPSJK-ZWKOTPCHSA-N 2 2 346.450 1.786 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)o1 ZINC000995156976 701567592 /nfs/dbraw/zinc/56/75/92/701567592.db2.gz YGDNVXUPFYFTJA-UONOGXRCSA-N 2 2 331.420 1.632 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995157057 701568127 /nfs/dbraw/zinc/56/81/27/701568127.db2.gz BLXBZDRRPULMIB-TZMCWYRMSA-N 2 2 340.418 1.882 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)sn1 ZINC001031776691 699168997 /nfs/dbraw/zinc/16/89/97/699168997.db2.gz MNRNKOVKBSELEA-AWEZNQCLSA-N 2 2 338.477 1.184 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)sn1 ZINC001031776691 699168999 /nfs/dbraw/zinc/16/89/99/699168999.db2.gz MNRNKOVKBSELEA-AWEZNQCLSA-N 2 2 338.477 1.184 20 0 EDADLP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031783621 699210979 /nfs/dbraw/zinc/21/09/79/699210979.db2.gz CWRXZAPLHARQTK-KRWDZBQOSA-N 2 2 328.460 1.994 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCCO2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031783674 699211280 /nfs/dbraw/zinc/21/12/80/699211280.db2.gz DSIJURMCGGHOEX-IAGOWNOFSA-N 2 2 346.475 1.453 20 0 EDADLP COc1nscc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939208551 699354629 /nfs/dbraw/zinc/35/46/29/699354629.db2.gz DBCNJSNKUBTUFA-GWCFXTLKSA-N 2 2 335.433 1.054 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)s1 ZINC000939212004 699360787 /nfs/dbraw/zinc/36/07/87/699360787.db2.gz WDURKEVABJMKBH-IINYFYTJSA-N 2 2 333.461 1.662 20 0 EDADLP C[C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1[NH2+]CCF ZINC000939236105 699404600 /nfs/dbraw/zinc/40/46/00/699404600.db2.gz NZDUPGFKRLSLSH-GJZGRUSLSA-N 2 2 327.444 1.037 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000941599531 701592217 /nfs/dbraw/zinc/59/22/17/701592217.db2.gz AUUCVDWHMOUMBP-HZPDHXFCSA-N 2 2 347.507 1.463 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000941599531 701592218 /nfs/dbraw/zinc/59/22/18/701592218.db2.gz AUUCVDWHMOUMBP-HZPDHXFCSA-N 2 2 347.507 1.463 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001031813678 699502923 /nfs/dbraw/zinc/50/29/23/699502923.db2.gz XXRVQSGDEUMSRW-OAHLLOKOSA-N 2 2 343.475 1.522 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)cn1 ZINC001031817596 699533416 /nfs/dbraw/zinc/53/34/16/699533416.db2.gz LEPGOZWZFXVNGE-UHFFFAOYSA-N 2 2 336.399 1.295 20 0 EDADLP Cc1ncoc1C[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817637 699533731 /nfs/dbraw/zinc/53/37/31/699533731.db2.gz MOBHODVKFMPLEV-UHFFFAOYSA-N 2 2 325.372 1.493 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+]CC1CC1 ZINC000939528004 699666602 /nfs/dbraw/zinc/66/66/02/699666602.db2.gz GLKLVHKCTNSMTP-CXAGYDPISA-N 2 2 325.416 1.727 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)c(C)n1 ZINC000939534403 699675244 /nfs/dbraw/zinc/67/52/44/699675244.db2.gz JXYNKDZCSODJOV-FZKQIMNGSA-N 2 2 341.459 1.611 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939534445 699675632 /nfs/dbraw/zinc/67/56/32/699675632.db2.gz KEOISFODOGBLGV-SJKOYZFVSA-N 2 2 345.447 1.458 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cncn1C ZINC000939535053 699676250 /nfs/dbraw/zinc/67/62/50/699676250.db2.gz OTQPROGBVNDNLJ-GXTWGEPZSA-N 2 2 330.436 1.058 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1cnsn1 ZINC000939550615 699699864 /nfs/dbraw/zinc/69/98/64/699699864.db2.gz NBKCEEMFTOJHNX-BXUZGUMPSA-N 2 2 346.460 1.249 20 0 EDADLP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939641230 699770568 /nfs/dbraw/zinc/77/05/68/699770568.db2.gz CZBKFOUBLSXLQW-SUMWQHHRSA-N 2 2 345.447 1.540 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nc(CC2CC2)no1 ZINC000939753515 699903017 /nfs/dbraw/zinc/90/30/17/699903017.db2.gz GEOMLYXPBJJNMF-HIFRSBDPSA-N 2 2 347.463 1.054 20 0 EDADLP CC1([NH2+]Cc2nnc(C3CC3)[nH]2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940356507 700518079 /nfs/dbraw/zinc/51/80/79/700518079.db2.gz QMKZQUQNBMGLNK-UHFFFAOYSA-N 2 2 343.435 1.119 20 0 EDADLP CC1(C)CO[C@@H](C[NH+]2CC(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001031968420 701652454 /nfs/dbraw/zinc/65/24/54/701652454.db2.gz VYWIRVZGLSHRLL-HUUCEWRRSA-N 2 2 346.475 1.693 20 0 EDADLP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001031968419 701652596 /nfs/dbraw/zinc/65/25/96/701652596.db2.gz VYWIRVZGLSHRLL-GJZGRUSLSA-N 2 2 346.475 1.693 20 0 EDADLP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000940426194 700619715 /nfs/dbraw/zinc/61/97/15/700619715.db2.gz JCPPBWROHCPHFN-UHFFFAOYSA-N 2 2 344.463 1.592 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000940426320 700620019 /nfs/dbraw/zinc/62/00/19/700620019.db2.gz PXQOKKOZFPVQRC-HNAYVOBHSA-N 2 2 346.475 1.360 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]Cc2cccnc2)CC1 ZINC000940426315 700620267 /nfs/dbraw/zinc/62/02/67/700620267.db2.gz POGFLMSUJDXCNB-UHFFFAOYSA-N 2 2 327.432 1.529 20 0 EDADLP Cc1conc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000940441739 700643418 /nfs/dbraw/zinc/64/34/18/700643418.db2.gz RNGUTNQLYABNMC-UHFFFAOYSA-N 2 2 331.420 1.728 20 0 EDADLP CC1([NH2+]Cc2nnc(C3CC3)[nH]2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940483514 700671189 /nfs/dbraw/zinc/67/11/89/700671189.db2.gz HLYKWSPCZRQFQB-UHFFFAOYSA-N 2 2 343.435 1.050 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1)C1CCC1 ZINC000941130137 701207558 /nfs/dbraw/zinc/20/75/58/701207558.db2.gz PJKVEOHBZPUCTE-HOTGVXAUSA-N 2 2 348.491 1.984 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1)C1CCC1 ZINC000941130137 701207559 /nfs/dbraw/zinc/20/75/59/701207559.db2.gz PJKVEOHBZPUCTE-HOTGVXAUSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)C[N@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941130871 701208770 /nfs/dbraw/zinc/20/87/70/701208770.db2.gz WKERDJUJVVWVJZ-INIZCTEOSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941130871 701208772 /nfs/dbraw/zinc/20/87/72/701208772.db2.gz WKERDJUJVVWVJZ-INIZCTEOSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@@H](c1cnccn1)[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031930912 701377109 /nfs/dbraw/zinc/37/71/09/701377109.db2.gz CSGBGFCWUQLXRE-ZDUSSCGKSA-N 2 2 343.431 1.554 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCCO2)CC1(C)C ZINC000941167505 701378609 /nfs/dbraw/zinc/37/86/09/701378609.db2.gz WFEBLRGMWYMUAJ-IRXDYDNUSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC1(C)C ZINC000941167505 701378611 /nfs/dbraw/zinc/37/86/11/701378611.db2.gz WFEBLRGMWYMUAJ-IRXDYDNUSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941167479 701378811 /nfs/dbraw/zinc/37/88/11/701378811.db2.gz VWSMMNMKKODUIJ-INIZCTEOSA-N 2 2 344.463 1.113 20 0 EDADLP Cn1cncc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941167479 701378812 /nfs/dbraw/zinc/37/88/12/701378812.db2.gz VWSMMNMKKODUIJ-INIZCTEOSA-N 2 2 344.463 1.113 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221154 701411778 /nfs/dbraw/zinc/41/17/78/701411778.db2.gz MBNOKVANXHCCTD-HNNXBMFYSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221154 701411779 /nfs/dbraw/zinc/41/17/79/701411779.db2.gz MBNOKVANXHCCTD-HNNXBMFYSA-N 2 2 335.452 1.191 20 0 EDADLP CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252510 701427119 /nfs/dbraw/zinc/42/71/19/701427119.db2.gz ACCAOONHLQNJFB-HZPDHXFCSA-N 2 2 334.464 1.526 20 0 EDADLP CC1(C)C[N@@H+](C[C@H]2CCCOC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252510 701427120 /nfs/dbraw/zinc/42/71/20/701427120.db2.gz ACCAOONHLQNJFB-HZPDHXFCSA-N 2 2 334.464 1.526 20 0 EDADLP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000999184377 706612629 /nfs/dbraw/zinc/61/26/29/706612629.db2.gz UBFFZKVJCAYQJE-BZOOQXSSSA-N 2 2 328.416 1.446 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001032128856 701801328 /nfs/dbraw/zinc/80/13/28/701801328.db2.gz LWOAMQDQTQVSSU-HUUCEWRRSA-N 2 2 336.505 1.812 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000995175816 701804628 /nfs/dbraw/zinc/80/46/28/701804628.db2.gz BDFNHDGEODINFA-DZGCQCFKSA-N 2 2 330.436 1.069 20 0 EDADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cnn(C)c1)n1cc[nH+]c1 ZINC001032656592 706616533 /nfs/dbraw/zinc/61/65/33/706616533.db2.gz HCBYAIKOIAWUFD-XIRDDKMYSA-N 2 2 342.447 1.096 20 0 EDADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cnn(C)c1)n1cc[nH+]c1 ZINC001032656592 706616537 /nfs/dbraw/zinc/61/65/37/706616537.db2.gz HCBYAIKOIAWUFD-XIRDDKMYSA-N 2 2 342.447 1.096 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnoc2C)C1 ZINC000995180301 701946349 /nfs/dbraw/zinc/94/63/49/701946349.db2.gz DXXVXXSPVJEBEZ-UKRRQHHQSA-N 2 2 331.420 1.632 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001031977360 702019480 /nfs/dbraw/zinc/01/94/80/702019480.db2.gz YNKGESVHNQBMSJ-IUODEOHRSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001031977360 702019486 /nfs/dbraw/zinc/01/94/86/702019486.db2.gz YNKGESVHNQBMSJ-IUODEOHRSA-N 2 2 337.414 1.711 20 0 EDADLP Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995181426 702028260 /nfs/dbraw/zinc/02/82/60/702028260.db2.gz HEGOOHBANTYUQN-LSDHHAIUSA-N 2 2 345.447 1.940 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031977763 702036084 /nfs/dbraw/zinc/03/60/84/702036084.db2.gz HUICYMHTACMPBA-LRDDRELGSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031977763 702036089 /nfs/dbraw/zinc/03/60/89/702036089.db2.gz HUICYMHTACMPBA-LRDDRELGSA-N 2 2 337.414 1.711 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000995822329 702091754 /nfs/dbraw/zinc/09/17/54/702091754.db2.gz KDATYVRAGKZVGK-GJZGRUSLSA-N 2 2 349.504 1.207 20 0 EDADLP Cn1nccc1CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000995893939 702196211 /nfs/dbraw/zinc/19/62/11/702196211.db2.gz QWUPINKOXOLQSL-INIZCTEOSA-N 2 2 344.463 1.145 20 0 EDADLP Cn1nccc1CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000995893939 702196218 /nfs/dbraw/zinc/19/62/18/702196218.db2.gz QWUPINKOXOLQSL-INIZCTEOSA-N 2 2 344.463 1.145 20 0 EDADLP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)cn1 ZINC000995894898 702197815 /nfs/dbraw/zinc/19/78/15/702197815.db2.gz UCFDXPDGBQAXFV-MRXNPFEDSA-N 2 2 344.463 1.145 20 0 EDADLP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000995894898 702197823 /nfs/dbraw/zinc/19/78/23/702197823.db2.gz UCFDXPDGBQAXFV-MRXNPFEDSA-N 2 2 344.463 1.145 20 0 EDADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182665 702206667 /nfs/dbraw/zinc/20/66/67/702206667.db2.gz OTYZHKJPQJFGAA-DZGCQCFKSA-N 2 2 342.443 1.889 20 0 EDADLP C[C@@H](c1nc2ccccc2o1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182665 702206670 /nfs/dbraw/zinc/20/66/70/702206670.db2.gz OTYZHKJPQJFGAA-DZGCQCFKSA-N 2 2 342.443 1.889 20 0 EDADLP C[C@H]1C[N@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097955 702265056 /nfs/dbraw/zinc/26/50/56/702265056.db2.gz LPFPNAHDTKZNKJ-XJKSGUPXSA-N 2 2 347.488 1.488 20 0 EDADLP C[C@H]1C[N@@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097955 702265061 /nfs/dbraw/zinc/26/50/61/702265061.db2.gz LPFPNAHDTKZNKJ-XJKSGUPXSA-N 2 2 347.488 1.488 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nc1 ZINC000944167542 702406074 /nfs/dbraw/zinc/40/60/74/702406074.db2.gz DVODJSLDLAIKLI-CVEARBPZSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nc1 ZINC000944167542 702406080 /nfs/dbraw/zinc/40/60/80/702406080.db2.gz DVODJSLDLAIKLI-CVEARBPZSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)n1 ZINC000996043626 702460862 /nfs/dbraw/zinc/46/08/62/702460862.db2.gz OOOLQQSIZJLAJH-AWEZNQCLSA-N 2 2 347.488 1.983 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184596 702692100 /nfs/dbraw/zinc/69/21/00/702692100.db2.gz URIMDXZAFAXPDT-OCCSQVGLSA-N 2 2 343.431 1.091 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000942184596 702692102 /nfs/dbraw/zinc/69/21/02/702692102.db2.gz URIMDXZAFAXPDT-OCCSQVGLSA-N 2 2 343.431 1.091 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2(C)C)o1 ZINC000996312306 702701133 /nfs/dbraw/zinc/70/11/33/702701133.db2.gz YQVKXUHOJWPQPE-CQSZACIVSA-N 2 2 349.479 1.437 20 0 EDADLP C[C@H]([NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C)c1cnccn1 ZINC000996355589 702733272 /nfs/dbraw/zinc/73/32/72/702733272.db2.gz NBDFICRROMDSHY-WFASDCNBSA-N 2 2 328.420 1.330 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000996458168 702802753 /nfs/dbraw/zinc/80/27/53/702802753.db2.gz RVUXWRFKINFDGF-HZPDHXFCSA-N 2 2 348.491 1.720 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCCO2)C(C)(C)C1 ZINC000996512206 702831717 /nfs/dbraw/zinc/83/17/17/702831717.db2.gz BUWMJYWFUHYZKF-IAGOWNOFSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)s1 ZINC000996513802 702833241 /nfs/dbraw/zinc/83/32/41/702833241.db2.gz JYSMTRHDPLWAQW-AWEZNQCLSA-N 2 2 347.488 1.754 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)C1 ZINC000996513957 702833812 /nfs/dbraw/zinc/83/38/12/702833812.db2.gz KVHJRUGBRPEVOF-PREGVCBESA-N 2 2 348.491 1.604 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996514436 702849930 /nfs/dbraw/zinc/84/99/30/702849930.db2.gz MICDXPXRLDAXAH-GDBMZVCRSA-N 2 2 348.491 1.941 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CC[C@H]2CCOC2)C(C)(C)C1 ZINC000996561801 702875814 /nfs/dbraw/zinc/87/58/14/702875814.db2.gz JHKNNYIUBGNCEY-HOCLYGCPSA-N 2 2 334.464 1.514 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996568038 702880271 /nfs/dbraw/zinc/88/02/71/702880271.db2.gz AOXXACNXMZSYMF-OAHLLOKOSA-N 2 2 347.488 1.836 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C(C)(C)C1 ZINC000996565019 702886265 /nfs/dbraw/zinc/88/62/65/702886265.db2.gz WHJSUTYQYWRWBP-GOEBONIOSA-N 2 2 334.464 1.514 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996619767 702926219 /nfs/dbraw/zinc/92/62/19/702926219.db2.gz KQTLWCDWCLPKTB-HNNXBMFYSA-N 2 2 346.475 1.379 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995250113 702962630 /nfs/dbraw/zinc/96/26/30/702962630.db2.gz NHCOZORHFJJSEL-KBPBESRZSA-N 2 2 346.435 1.293 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000995251626 702979229 /nfs/dbraw/zinc/97/92/29/702979229.db2.gz PZJRLJCGGXDAKL-SJORKVTESA-N 2 2 342.443 1.966 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996683814 702981855 /nfs/dbraw/zinc/98/18/55/702981855.db2.gz JLKWAZAKIQLAFW-CHWSQXEVSA-N 2 2 332.433 1.146 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)n1 ZINC000996706526 702995279 /nfs/dbraw/zinc/99/52/79/702995279.db2.gz LSPHWYDWOYUTHL-MRXNPFEDSA-N 2 2 344.463 1.687 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]Cc3cnsn3)CC2)c[nH+]1 ZINC000996714749 703009787 /nfs/dbraw/zinc/00/97/87/703009787.db2.gz GPVKWFBAGSXLMI-UHFFFAOYSA-N 2 2 348.476 1.559 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)C[C@H]1C ZINC000942518657 703019811 /nfs/dbraw/zinc/01/98/11/703019811.db2.gz VAEBRJPKLWXDRF-CJNGLKHVSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)C[C@H]1C ZINC000942518657 703019814 /nfs/dbraw/zinc/01/98/14/703019814.db2.gz VAEBRJPKLWXDRF-CJNGLKHVSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)[nH]1 ZINC000942556269 703070187 /nfs/dbraw/zinc/07/01/87/703070187.db2.gz YMVPHMWAXWIUAV-UKRRQHHQSA-N 2 2 348.495 1.314 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)[nH]1 ZINC000942556269 703070190 /nfs/dbraw/zinc/07/01/90/703070190.db2.gz YMVPHMWAXWIUAV-UKRRQHHQSA-N 2 2 348.495 1.314 20 0 EDADLP CCC[NH+]1CCN(C2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC000996804896 703095040 /nfs/dbraw/zinc/09/50/40/703095040.db2.gz YRJTVRJWELGLPY-UHFFFAOYSA-N 2 2 347.507 1.647 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942598179 703113201 /nfs/dbraw/zinc/11/32/01/703113201.db2.gz SMYCCZIWXLLVHJ-SWLSCSKDSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942598179 703113203 /nfs/dbraw/zinc/11/32/03/703113203.db2.gz SMYCCZIWXLLVHJ-SWLSCSKDSA-N 2 2 335.452 1.046 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000996995327 703252136 /nfs/dbraw/zinc/25/21/36/703252136.db2.gz NOXGLFSCNFEMFJ-CYBMUJFWSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000996995327 703252138 /nfs/dbraw/zinc/25/21/38/703252138.db2.gz NOXGLFSCNFEMFJ-CYBMUJFWSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000997037032 703288770 /nfs/dbraw/zinc/28/87/70/703288770.db2.gz QWQRLDVDGHXCOG-NSHDSACASA-N 2 2 332.408 1.239 20 0 EDADLP COCc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000997041509 703291780 /nfs/dbraw/zinc/29/17/80/703291780.db2.gz KTLRLQPZDMRUAB-UHFFFAOYSA-N 2 2 342.443 1.879 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC000997041700 703292127 /nfs/dbraw/zinc/29/21/27/703292127.db2.gz MOEGLEVPZPWBRB-UHFFFAOYSA-N 2 2 333.823 1.781 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)ncn1 ZINC000997087574 703325841 /nfs/dbraw/zinc/32/58/41/703325841.db2.gz YOIZMMYGYGKXEL-CYBMUJFWSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)ncn1 ZINC000997087574 703325844 /nfs/dbraw/zinc/32/58/44/703325844.db2.gz YOIZMMYGYGKXEL-CYBMUJFWSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)o1 ZINC000997087547 703325880 /nfs/dbraw/zinc/32/58/80/703325880.db2.gz YJMFOPPYHLTQDI-GFCCVEGCSA-N 2 2 345.447 1.974 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000997087547 703325882 /nfs/dbraw/zinc/32/58/82/703325882.db2.gz YJMFOPPYHLTQDI-GFCCVEGCSA-N 2 2 345.447 1.974 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000997085831 703331272 /nfs/dbraw/zinc/33/12/72/703331272.db2.gz RAQAGZAZTKOUHS-GFCCVEGCSA-N 2 2 333.461 1.826 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000997085831 703331274 /nfs/dbraw/zinc/33/12/74/703331274.db2.gz RAQAGZAZTKOUHS-GFCCVEGCSA-N 2 2 333.461 1.826 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cs1 ZINC000997127148 703386326 /nfs/dbraw/zinc/38/63/26/703386326.db2.gz QONJJQFHIBHKCF-UHFFFAOYSA-N 2 2 333.461 1.752 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000997178129 703464664 /nfs/dbraw/zinc/46/46/64/703464664.db2.gz CHHNMJVAFDQABC-NSHDSACASA-N 2 2 348.476 1.464 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CCO)CC1)C2 ZINC000997182888 703468215 /nfs/dbraw/zinc/46/82/15/703468215.db2.gz JEHXGXSDBJCJJR-DOMZBBRYSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCO)CC1)CC2 ZINC000997182888 703468217 /nfs/dbraw/zinc/46/82/17/703468217.db2.gz JEHXGXSDBJCJJR-DOMZBBRYSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC000997211238 703510620 /nfs/dbraw/zinc/51/06/20/703510620.db2.gz PIFTYAQAXPDRIA-LLVKDONJSA-N 2 2 332.408 1.294 20 0 EDADLP Cc1cccnc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997236253 703523403 /nfs/dbraw/zinc/52/34/03/703523403.db2.gz JIPBNHCSBMBTEM-UHFFFAOYSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1conc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997238033 703524696 /nfs/dbraw/zinc/52/46/96/703524696.db2.gz SSJTUIYIIWUJAN-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997237952 703524797 /nfs/dbraw/zinc/52/47/97/703524797.db2.gz RVPZFMJGAAIUOE-HNNXBMFYSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2nnc(C(C)C)[nH]2)CC1 ZINC000997310727 703567315 /nfs/dbraw/zinc/56/73/15/703567315.db2.gz SZNWKUSQPWBXMZ-UHFFFAOYSA-N 2 2 345.451 1.214 20 0 EDADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000997356662 703587295 /nfs/dbraw/zinc/58/72/95/703587295.db2.gz KVNUQMSVSJSUCP-CYBMUJFWSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000997356662 703587297 /nfs/dbraw/zinc/58/72/97/703587297.db2.gz KVNUQMSVSJSUCP-CYBMUJFWSA-N 2 2 337.489 1.068 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCO[C@H]2CC2(F)F)CCC1 ZINC001032444379 703621385 /nfs/dbraw/zinc/62/13/85/703621385.db2.gz WUKIXIVKPBWQKJ-IHRRRGAJSA-N 2 2 343.418 1.180 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCO[C@H]2CC2(F)F)CCC1 ZINC001032444379 703621386 /nfs/dbraw/zinc/62/13/86/703621386.db2.gz WUKIXIVKPBWQKJ-IHRRRGAJSA-N 2 2 343.418 1.180 20 0 EDADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864129 703773603 /nfs/dbraw/zinc/77/36/03/703773603.db2.gz CNMJNTSKHRIRED-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864129 703773604 /nfs/dbraw/zinc/77/36/04/703773604.db2.gz CNMJNTSKHRIRED-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)c(C)[nH+]1 ZINC000997558305 703831498 /nfs/dbraw/zinc/83/14/98/703831498.db2.gz XEZKGBJSVPKTEP-WBMJQRKESA-N 2 2 344.459 1.145 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c(C)[nH+]1 ZINC000997558305 703831500 /nfs/dbraw/zinc/83/15/00/703831500.db2.gz XEZKGBJSVPKTEP-WBMJQRKESA-N 2 2 344.459 1.145 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514527 703907875 /nfs/dbraw/zinc/90/78/75/703907875.db2.gz UJTDCJMYOMCANZ-KBMXLJTQSA-N 2 2 341.415 1.201 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514527 703907877 /nfs/dbraw/zinc/90/78/77/703907877.db2.gz UJTDCJMYOMCANZ-KBMXLJTQSA-N 2 2 341.415 1.201 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997642122 703948803 /nfs/dbraw/zinc/94/88/03/703948803.db2.gz NJESESKSWHWMSE-XJKSGUPXSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997642122 703948806 /nfs/dbraw/zinc/94/88/06/703948806.db2.gz NJESESKSWHWMSE-XJKSGUPXSA-N 2 2 349.479 1.579 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001004207562 703966313 /nfs/dbraw/zinc/96/63/13/703966313.db2.gz GEDWHNPXFACUPX-QGZVFWFLSA-N 2 2 345.491 1.740 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001004207562 703966317 /nfs/dbraw/zinc/96/63/17/703966317.db2.gz GEDWHNPXFACUPX-QGZVFWFLSA-N 2 2 345.491 1.740 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC([NH2+]CCF)C1 ZINC000999286600 706779553 /nfs/dbraw/zinc/77/95/53/706779553.db2.gz BZDPAXHMMUSCFM-BCLQGDPASA-N 2 2 327.444 1.178 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC([NH2+]CCF)C1 ZINC000999286600 706779556 /nfs/dbraw/zinc/77/95/56/706779556.db2.gz BZDPAXHMMUSCFM-BCLQGDPASA-N 2 2 327.444 1.178 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)ccn1 ZINC001004257970 704085972 /nfs/dbraw/zinc/08/59/72/704085972.db2.gz PDHRMRCZBVBXHS-UHFFFAOYSA-N 2 2 329.404 1.068 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995610043 704575963 /nfs/dbraw/zinc/57/59/63/704575963.db2.gz YCNAZEIONBAWTK-IAGOWNOFSA-N 2 2 346.475 1.047 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995610043 704575964 /nfs/dbraw/zinc/57/59/64/704575964.db2.gz YCNAZEIONBAWTK-IAGOWNOFSA-N 2 2 346.475 1.047 20 0 EDADLP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000997738500 704635835 /nfs/dbraw/zinc/63/58/35/704635835.db2.gz MZPFIHDVQQLDDV-LBPRGKRZSA-N 2 2 346.435 1.623 20 0 EDADLP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000997739732 704637804 /nfs/dbraw/zinc/63/78/04/704637804.db2.gz YCEDSXKUIAFVQI-UHFFFAOYSA-N 2 2 344.463 1.413 20 0 EDADLP Cn1c[nH+]cc1CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001032557549 704738168 /nfs/dbraw/zinc/73/81/68/704738168.db2.gz MMJFZORJGPFNDJ-GJZGRUSLSA-N 2 2 331.464 1.080 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@H]1C ZINC000944965128 704835161 /nfs/dbraw/zinc/83/51/61/704835161.db2.gz QQGMWNUYRVUTSR-CXAGYDPISA-N 2 2 345.422 1.752 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cncc(F)c2)C[C@H]1C ZINC000944965128 704835165 /nfs/dbraw/zinc/83/51/65/704835165.db2.gz QQGMWNUYRVUTSR-CXAGYDPISA-N 2 2 345.422 1.752 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000997916907 704976357 /nfs/dbraw/zinc/97/63/57/704976357.db2.gz WMJRKMBSWCFYPM-UHFFFAOYSA-N 2 2 334.449 1.071 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CCc3[nH+]ccn3C)CC2)O1 ZINC000997930668 705036534 /nfs/dbraw/zinc/03/65/34/705036534.db2.gz RPWYIKWSTYSFKK-RDJZCZTQSA-N 2 2 348.491 1.748 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nc(C)no2)CC1 ZINC000997948690 705067192 /nfs/dbraw/zinc/06/71/92/705067192.db2.gz JOKIKOZRHHGQOX-HZPDHXFCSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nc(C)no2)CC1 ZINC000997948690 705067194 /nfs/dbraw/zinc/06/71/94/705067194.db2.gz JOKIKOZRHHGQOX-HZPDHXFCSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2nc(C)no2)CC1 ZINC000997948690 705067201 /nfs/dbraw/zinc/06/72/01/705067201.db2.gz JOKIKOZRHHGQOX-HZPDHXFCSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nc(C)no2)CC1 ZINC000997948690 705067207 /nfs/dbraw/zinc/06/72/07/705067207.db2.gz JOKIKOZRHHGQOX-HZPDHXFCSA-N 2 2 349.479 1.675 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000997953688 705083004 /nfs/dbraw/zinc/08/30/04/705083004.db2.gz XOZZZUVJVGTDJC-CYBMUJFWSA-N 2 2 346.435 1.554 20 0 EDADLP C[C@H](CC(=O)N1CCC(C[NH2+]Cc2nncs2)CC1)n1cc[nH+]c1 ZINC000998122531 705375602 /nfs/dbraw/zinc/37/56/02/705375602.db2.gz AFFKQSXGASGZHQ-CYBMUJFWSA-N 2 2 348.476 1.714 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1)n1cc[nH+]c1 ZINC000998125967 705383561 /nfs/dbraw/zinc/38/35/61/705383561.db2.gz IVYBUPKXEOVLFN-HNNXBMFYSA-N 2 2 344.463 1.596 20 0 EDADLP CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000948647939 705423125 /nfs/dbraw/zinc/42/31/25/705423125.db2.gz NVOHCLOYYVCHBW-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000948647939 705423126 /nfs/dbraw/zinc/42/31/26/705423126.db2.gz NVOHCLOYYVCHBW-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000948647939 705423129 /nfs/dbraw/zinc/42/31/29/705423129.db2.gz NVOHCLOYYVCHBW-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000948647939 705423133 /nfs/dbraw/zinc/42/31/33/705423133.db2.gz NVOHCLOYYVCHBW-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)nn1C ZINC000998181111 705481184 /nfs/dbraw/zinc/48/11/84/705481184.db2.gz FTYHHDSDHCKDOH-UHFFFAOYSA-N 2 2 330.436 1.023 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@H+](CCF)CC1 ZINC000998188773 705493850 /nfs/dbraw/zinc/49/38/50/705493850.db2.gz KAPHNASGSLCLRJ-CVEARBPZSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@@H]1CCC[N@@H+](CCF)CC1 ZINC000998188773 705493853 /nfs/dbraw/zinc/49/38/53/705493853.db2.gz KAPHNASGSLCLRJ-CVEARBPZSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@@H]1CCC[NH+](CCF)CC1 ZINC000998188773 705493855 /nfs/dbraw/zinc/49/38/55/705493855.db2.gz KAPHNASGSLCLRJ-CVEARBPZSA-N 2 2 329.460 1.380 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@@H]1CCC[NH+](CCF)CC1 ZINC000998188773 705493857 /nfs/dbraw/zinc/49/38/57/705493857.db2.gz KAPHNASGSLCLRJ-CVEARBPZSA-N 2 2 329.460 1.380 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998244349 705590685 /nfs/dbraw/zinc/59/06/85/705590685.db2.gz LTEXYKDTPCTAGS-UHFFFAOYSA-N 2 2 345.422 1.823 20 0 EDADLP Cc1oncc1C[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000998253779 705612784 /nfs/dbraw/zinc/61/27/84/705612784.db2.gz JOZYQJSIOXMVAD-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)no1 ZINC000999003062 706442492 /nfs/dbraw/zinc/44/24/92/706442492.db2.gz CGKDEDAJWVMENY-VQCLRJIVSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999035912 706450431 /nfs/dbraw/zinc/45/04/31/706450431.db2.gz PRXMBUGNVGGQHI-CQSZACIVSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999023409 706460675 /nfs/dbraw/zinc/46/06/75/706460675.db2.gz KSJKEOIKCFNLJP-UHFFFAOYSA-N 2 2 347.419 1.425 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000999469933 706979088 /nfs/dbraw/zinc/97/90/88/706979088.db2.gz PFHWYTCXVIBBJP-UHFFFAOYSA-N 2 2 333.823 1.780 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999534609 707034975 /nfs/dbraw/zinc/03/49/75/707034975.db2.gz GQJNORHWYFUFRK-KBPBESRZSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)on1 ZINC000999535777 707036416 /nfs/dbraw/zinc/03/64/16/707036416.db2.gz MDZSLPNUQBQQAC-GJZGRUSLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000999537828 707038665 /nfs/dbraw/zinc/03/86/65/707038665.db2.gz UVSPNZGOMWXWEM-SJORKVTESA-N 2 2 339.443 1.621 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)no1 ZINC000999682522 707168109 /nfs/dbraw/zinc/16/81/09/707168109.db2.gz PHFMNKVLPLTPIF-WLYUNCDWSA-N 2 2 349.479 1.443 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)no1 ZINC000999682522 707168113 /nfs/dbraw/zinc/16/81/13/707168113.db2.gz PHFMNKVLPLTPIF-WLYUNCDWSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)s1 ZINC000999713627 707251342 /nfs/dbraw/zinc/25/13/42/707251342.db2.gz LKSVXFHWZVOCHJ-AWEZNQCLSA-N 2 2 333.461 1.737 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)n1 ZINC000999708711 707300600 /nfs/dbraw/zinc/30/06/00/707300600.db2.gz SABXUSKENLLZTC-AWEZNQCLSA-N 2 2 340.387 1.420 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC(F)(F)F)C2)O1 ZINC001033196568 707410434 /nfs/dbraw/zinc/41/04/34/707410434.db2.gz NWVRDCQHIQKFAJ-FRRDWIJNSA-N 2 2 337.386 1.191 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC(F)(F)F)C2)O1 ZINC001033196568 707410436 /nfs/dbraw/zinc/41/04/36/707410436.db2.gz NWVRDCQHIQKFAJ-FRRDWIJNSA-N 2 2 337.386 1.191 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCC(F)(F)F)C2)O1 ZINC001033196568 707410440 /nfs/dbraw/zinc/41/04/40/707410440.db2.gz NWVRDCQHIQKFAJ-FRRDWIJNSA-N 2 2 337.386 1.191 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC(F)(F)F)C2)O1 ZINC001033196568 707410442 /nfs/dbraw/zinc/41/04/42/707410442.db2.gz NWVRDCQHIQKFAJ-FRRDWIJNSA-N 2 2 337.386 1.191 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC001033196633 707411001 /nfs/dbraw/zinc/41/10/01/707411001.db2.gz DKZOXOKQHRCWSP-FUHWJXTLSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC001033196633 707411003 /nfs/dbraw/zinc/41/10/03/707411003.db2.gz DKZOXOKQHRCWSP-FUHWJXTLSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001033196633 707411006 /nfs/dbraw/zinc/41/10/06/707411006.db2.gz DKZOXOKQHRCWSP-FUHWJXTLSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001033196633 707411008 /nfs/dbraw/zinc/41/10/08/707411008.db2.gz DKZOXOKQHRCWSP-FUHWJXTLSA-N 2 2 346.475 1.607 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)c1cnccn1 ZINC000999839308 707411924 /nfs/dbraw/zinc/41/19/24/707411924.db2.gz ZJHORWJZHGFWAL-HUUCEWRRSA-N 2 2 328.420 1.405 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001033197609 707417039 /nfs/dbraw/zinc/41/70/39/707417039.db2.gz IRIGZZFGYRBLSN-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001033197609 707417040 /nfs/dbraw/zinc/41/70/40/707417040.db2.gz IRIGZZFGYRBLSN-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001033197609 707417043 /nfs/dbraw/zinc/41/70/43/707417043.db2.gz IRIGZZFGYRBLSN-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC001033197609 707417046 /nfs/dbraw/zinc/41/70/46/707417046.db2.gz IRIGZZFGYRBLSN-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)sc1C ZINC000999915214 707557821 /nfs/dbraw/zinc/55/78/21/707557821.db2.gz IDMIORKQSXQUSH-UHFFFAOYSA-N 2 2 333.461 1.736 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1nonc1C ZINC001004897761 707614503 /nfs/dbraw/zinc/61/45/03/707614503.db2.gz QSHDKCFVEAREFT-GOEBONIOSA-N 2 2 346.435 1.442 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)c3occc3C[NH+](C)C)C2)o1 ZINC001033365624 707660104 /nfs/dbraw/zinc/66/01/04/707660104.db2.gz IVEQDKIGZWDBSF-OAHLLOKOSA-N 2 2 346.431 1.984 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3occc3C[NH+](C)C)C2)o1 ZINC001033365624 707660106 /nfs/dbraw/zinc/66/01/06/707660106.db2.gz IVEQDKIGZWDBSF-OAHLLOKOSA-N 2 2 346.431 1.984 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033211714 707693898 /nfs/dbraw/zinc/69/38/98/707693898.db2.gz LSFKCKSRQZELBP-WMLDXEAASA-N 2 2 343.431 1.475 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033211714 707693901 /nfs/dbraw/zinc/69/39/01/707693901.db2.gz LSFKCKSRQZELBP-WMLDXEAASA-N 2 2 343.431 1.475 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccn1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004945212 707714499 /nfs/dbraw/zinc/71/44/99/707714499.db2.gz JLEPTBWFCXGROZ-RHSMWYFYSA-N 2 2 327.432 1.907 20 0 EDADLP Cc1nsc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032730702 707730042 /nfs/dbraw/zinc/73/00/42/707730042.db2.gz NNVCPXGUBFWMNW-PMPSAXMXSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nsc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032730702 707730044 /nfs/dbraw/zinc/73/00/44/707730044.db2.gz NNVCPXGUBFWMNW-PMPSAXMXSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730702 707730048 /nfs/dbraw/zinc/73/00/48/707730048.db2.gz NNVCPXGUBFWMNW-PMPSAXMXSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730702 707730050 /nfs/dbraw/zinc/73/00/50/707730050.db2.gz NNVCPXGUBFWMNW-PMPSAXMXSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004959795 707772913 /nfs/dbraw/zinc/77/29/13/707772913.db2.gz YTEOOCUPBGRHIW-BLLLJJGKSA-N 2 2 331.420 1.808 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cc[nH+]1 ZINC001061652515 707790770 /nfs/dbraw/zinc/79/07/70/707790770.db2.gz KASCMLDWIVDQQJ-JKSUJKDBSA-N 2 2 331.464 1.600 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cc[nH+]1 ZINC001061652515 707790773 /nfs/dbraw/zinc/79/07/73/707790773.db2.gz KASCMLDWIVDQQJ-JKSUJKDBSA-N 2 2 331.464 1.600 20 0 EDADLP C[C@@H]([NH2+]CC1CCOCC1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004976318 707810267 /nfs/dbraw/zinc/81/02/67/707810267.db2.gz FGIZCCAKLZFECX-CRAIPNDOSA-N 2 2 348.491 1.748 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033433821 707824367 /nfs/dbraw/zinc/82/43/67/707824367.db2.gz XJGAVIMAEQZPSV-GVDBMIGSSA-N 2 2 339.443 1.652 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033433821 707824368 /nfs/dbraw/zinc/82/43/68/707824368.db2.gz XJGAVIMAEQZPSV-GVDBMIGSSA-N 2 2 339.443 1.652 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420308 707831006 /nfs/dbraw/zinc/83/10/06/707831006.db2.gz NVVAREWIWKUNCK-NVXWUHKLSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420308 707831009 /nfs/dbraw/zinc/83/10/09/707831009.db2.gz NVVAREWIWKUNCK-NVXWUHKLSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420308 707831014 /nfs/dbraw/zinc/83/10/14/707831014.db2.gz NVVAREWIWKUNCK-NVXWUHKLSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420308 707831017 /nfs/dbraw/zinc/83/10/17/707831017.db2.gz NVVAREWIWKUNCK-NVXWUHKLSA-N 2 2 346.475 1.465 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033453118 707896864 /nfs/dbraw/zinc/89/68/64/707896864.db2.gz SCEBQSIFLGELRL-KRWDZBQOSA-N 2 2 328.416 1.177 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033453118 707896866 /nfs/dbraw/zinc/89/68/66/707896866.db2.gz SCEBQSIFLGELRL-KRWDZBQOSA-N 2 2 328.416 1.177 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005181211 708125827 /nfs/dbraw/zinc/12/58/27/708125827.db2.gz WHXDSEWKOZWPBD-INIZCTEOSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001005181211 708125828 /nfs/dbraw/zinc/12/58/28/708125828.db2.gz WHXDSEWKOZWPBD-INIZCTEOSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033582923 708266737 /nfs/dbraw/zinc/26/67/37/708266737.db2.gz RKTHJVFDJLFYHS-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033582923 708266740 /nfs/dbraw/zinc/26/67/40/708266740.db2.gz RKTHJVFDJLFYHS-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)s1 ZINC001033582923 708266744 /nfs/dbraw/zinc/26/67/44/708266744.db2.gz RKTHJVFDJLFYHS-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC001033582923 708266745 /nfs/dbraw/zinc/26/67/45/708266745.db2.gz RKTHJVFDJLFYHS-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001033593076 708292597 /nfs/dbraw/zinc/29/25/97/708292597.db2.gz FUSPVOVBBDJQIC-OAHLLOKOSA-N 2 2 330.407 1.835 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001033593076 708292599 /nfs/dbraw/zinc/29/25/99/708292599.db2.gz FUSPVOVBBDJQIC-OAHLLOKOSA-N 2 2 330.407 1.835 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033585826 708314223 /nfs/dbraw/zinc/31/42/23/708314223.db2.gz NLUCRIIXSXOKSP-OAHLLOKOSA-N 2 2 342.447 1.228 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033585826 708314226 /nfs/dbraw/zinc/31/42/26/708314226.db2.gz NLUCRIIXSXOKSP-OAHLLOKOSA-N 2 2 342.447 1.228 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033665389 708447935 /nfs/dbraw/zinc/44/79/35/708447935.db2.gz NTUILNBQMXMFKA-UONOGXRCSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033665389 708447940 /nfs/dbraw/zinc/44/79/40/708447940.db2.gz NTUILNBQMXMFKA-UONOGXRCSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2c(F)cccc2F)C1 ZINC001033665389 708447945 /nfs/dbraw/zinc/44/79/45/708447945.db2.gz NTUILNBQMXMFKA-UONOGXRCSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2c(F)cccc2F)C1 ZINC001033665389 708447948 /nfs/dbraw/zinc/44/79/48/708447948.db2.gz NTUILNBQMXMFKA-UONOGXRCSA-N 2 2 337.414 1.949 20 0 EDADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001033669880 708459179 /nfs/dbraw/zinc/45/91/79/708459179.db2.gz ROZASSPNMJSZPU-UKRRQHHQSA-N 2 2 331.420 1.782 20 0 EDADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001033669880 708459181 /nfs/dbraw/zinc/45/91/81/708459181.db2.gz ROZASSPNMJSZPU-UKRRQHHQSA-N 2 2 331.420 1.782 20 0 EDADLP CCc1nnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001005407758 708911286 /nfs/dbraw/zinc/91/12/86/708911286.db2.gz SSVHLDURGJKKBH-UKRRQHHQSA-N 2 2 349.479 1.395 20 0 EDADLP CCc1nnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001005407758 708911289 /nfs/dbraw/zinc/91/12/89/708911289.db2.gz SSVHLDURGJKKBH-UKRRQHHQSA-N 2 2 349.479 1.395 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001033871105 708959927 /nfs/dbraw/zinc/95/99/27/708959927.db2.gz BYDZLURIVHDJEP-OCCSQVGLSA-N 2 2 343.431 1.234 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001033871105 708959929 /nfs/dbraw/zinc/95/99/29/708959929.db2.gz BYDZLURIVHDJEP-OCCSQVGLSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000921933011 709057458 /nfs/dbraw/zinc/05/74/58/709057458.db2.gz JISSXWGDUAQCMS-UHFFFAOYSA-N 2 2 342.443 1.486 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001034046596 709299358 /nfs/dbraw/zinc/29/93/58/709299358.db2.gz XVECZBXRCTUALV-GDBMZVCRSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001034046596 709299362 /nfs/dbraw/zinc/29/93/62/709299362.db2.gz XVECZBXRCTUALV-GDBMZVCRSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2csc(C)n2)C1 ZINC001034046596 709299364 /nfs/dbraw/zinc/29/93/64/709299364.db2.gz XVECZBXRCTUALV-GDBMZVCRSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2csc(C)n2)C1 ZINC001034046596 709299367 /nfs/dbraw/zinc/29/93/67/709299367.db2.gz XVECZBXRCTUALV-GDBMZVCRSA-N 2 2 336.505 1.826 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(F)cn2)C1 ZINC001034139157 709389030 /nfs/dbraw/zinc/38/90/30/709389030.db2.gz RQZZZJYOAXRHHA-IRXDYDNUSA-N 2 2 334.439 1.786 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(F)cn2)C1 ZINC001034139157 709389033 /nfs/dbraw/zinc/38/90/33/709389033.db2.gz RQZZZJYOAXRHHA-IRXDYDNUSA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001034139157 709389036 /nfs/dbraw/zinc/38/90/36/709389036.db2.gz RQZZZJYOAXRHHA-IRXDYDNUSA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001034139157 709389039 /nfs/dbraw/zinc/38/90/39/709389039.db2.gz RQZZZJYOAXRHHA-IRXDYDNUSA-N 2 2 334.439 1.786 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccc(F)cn2)C1 ZINC001034139156 709389353 /nfs/dbraw/zinc/38/93/53/709389353.db2.gz RQZZZJYOAXRHHA-IAGOWNOFSA-N 2 2 334.439 1.786 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccc(F)cn2)C1 ZINC001034139156 709389355 /nfs/dbraw/zinc/38/93/55/709389355.db2.gz RQZZZJYOAXRHHA-IAGOWNOFSA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001034139156 709389357 /nfs/dbraw/zinc/38/93/57/709389357.db2.gz RQZZZJYOAXRHHA-IAGOWNOFSA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001034139156 709389360 /nfs/dbraw/zinc/38/93/60/709389360.db2.gz RQZZZJYOAXRHHA-IAGOWNOFSA-N 2 2 334.439 1.786 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002790937 709398548 /nfs/dbraw/zinc/39/85/48/709398548.db2.gz CPHSEGIGQUHYAT-KRWDZBQOSA-N 2 2 347.507 1.856 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002790937 709398550 /nfs/dbraw/zinc/39/85/50/709398550.db2.gz CPHSEGIGQUHYAT-KRWDZBQOSA-N 2 2 347.507 1.856 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC001002792019 709399927 /nfs/dbraw/zinc/39/99/27/709399927.db2.gz MFQLFEHXLRISJT-CZUORRHYSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC001002792019 709399928 /nfs/dbraw/zinc/39/99/28/709399928.db2.gz MFQLFEHXLRISJT-CZUORRHYSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001002834280 709449624 /nfs/dbraw/zinc/44/96/24/709449624.db2.gz STIGOBOTFQRBNR-QGZVFWFLSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002834991 709450750 /nfs/dbraw/zinc/45/07/50/709450750.db2.gz VRUSPINHGUZKHF-INIZCTEOSA-N 2 2 332.448 1.405 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](Cc2ncccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034206703 709553186 /nfs/dbraw/zinc/55/31/86/709553186.db2.gz DVPBWSKULSRALY-DLBZAZTESA-N 2 2 343.475 1.289 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](Cc2ncccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034206703 709553191 /nfs/dbraw/zinc/55/31/91/709553191.db2.gz DVPBWSKULSRALY-DLBZAZTESA-N 2 2 343.475 1.289 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034218038 709573772 /nfs/dbraw/zinc/57/37/72/709573772.db2.gz YCPJESHUWPDOLA-BZUAXINKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034218038 709573776 /nfs/dbraw/zinc/57/37/76/709573776.db2.gz YCPJESHUWPDOLA-BZUAXINKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034218038 709573781 /nfs/dbraw/zinc/57/37/81/709573781.db2.gz YCPJESHUWPDOLA-BZUAXINKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034218038 709573784 /nfs/dbraw/zinc/57/37/84/709573784.db2.gz YCPJESHUWPDOLA-BZUAXINKSA-N 2 2 334.464 1.794 20 0 EDADLP Cn1nccc1C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339532 709801703 /nfs/dbraw/zinc/80/17/03/709801703.db2.gz HZWHWVKLDRHWNQ-MRXNPFEDSA-N 2 2 347.507 1.765 20 0 EDADLP Cn1nccc1C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339532 709801706 /nfs/dbraw/zinc/80/17/06/709801706.db2.gz HZWHWVKLDRHWNQ-MRXNPFEDSA-N 2 2 347.507 1.765 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001034378442 709899651 /nfs/dbraw/zinc/89/96/51/709899651.db2.gz SMWWYOFYRNYENZ-CJNGLKHVSA-N 2 2 348.495 1.487 20 0 EDADLP Cc1nnc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001034378442 709899656 /nfs/dbraw/zinc/89/96/56/709899656.db2.gz SMWWYOFYRNYENZ-CJNGLKHVSA-N 2 2 348.495 1.487 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC001034399343 709941937 /nfs/dbraw/zinc/94/19/37/709941937.db2.gz SSISGSAWRQCJFS-MAUKXSAKSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001034399343 709941940 /nfs/dbraw/zinc/94/19/40/709941940.db2.gz SSISGSAWRQCJFS-MAUKXSAKSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001034399343 709941941 /nfs/dbraw/zinc/94/19/41/709941941.db2.gz SSISGSAWRQCJFS-MAUKXSAKSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001034399343 709941944 /nfs/dbraw/zinc/94/19/44/709941944.db2.gz SSISGSAWRQCJFS-MAUKXSAKSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)no1 ZINC001034403203 709949989 /nfs/dbraw/zinc/94/99/89/709949989.db2.gz UVZBOGPFBOEZIS-GDBMZVCRSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)no1 ZINC001034403203 709949992 /nfs/dbraw/zinc/94/99/92/709949992.db2.gz UVZBOGPFBOEZIS-GDBMZVCRSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)no1 ZINC001034403203 709949993 /nfs/dbraw/zinc/94/99/93/709949993.db2.gz UVZBOGPFBOEZIS-GDBMZVCRSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)no1 ZINC001034403203 709949995 /nfs/dbraw/zinc/94/99/95/709949995.db2.gz UVZBOGPFBOEZIS-GDBMZVCRSA-N 2 2 334.464 1.796 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426617 709963004 /nfs/dbraw/zinc/96/30/04/709963004.db2.gz NMLZJPBDSLLOKP-CABCVRRESA-N 2 2 349.479 1.241 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426617 709963008 /nfs/dbraw/zinc/96/30/08/709963008.db2.gz NMLZJPBDSLLOKP-CABCVRRESA-N 2 2 349.479 1.241 20 0 EDADLP Cn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432639 710002812 /nfs/dbraw/zinc/00/28/12/710002812.db2.gz XEVAIDJIJBHQLT-QGZVFWFLSA-N 2 2 347.507 1.623 20 0 EDADLP Cn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432639 710002817 /nfs/dbraw/zinc/00/28/17/710002817.db2.gz XEVAIDJIJBHQLT-QGZVFWFLSA-N 2 2 347.507 1.623 20 0 EDADLP Cc1noc([C@@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034489288 710139093 /nfs/dbraw/zinc/13/90/93/710139093.db2.gz BBBKREWNPHTVGT-UKRRQHHQSA-N 2 2 347.463 1.506 20 0 EDADLP Cc1noc([C@@H](C)[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034489288 710139094 /nfs/dbraw/zinc/13/90/94/710139094.db2.gz BBBKREWNPHTVGT-UKRRQHHQSA-N 2 2 347.463 1.506 20 0 EDADLP Cc1ncoc1C[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001003221282 710140053 /nfs/dbraw/zinc/14/00/53/710140053.db2.gz MZRFKFYGBUPIPI-UHFFFAOYSA-N 2 2 347.419 1.427 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003229742 710150433 /nfs/dbraw/zinc/15/04/33/710150433.db2.gz IKAZGHJRPZKXBE-KRWDZBQOSA-N 2 2 345.491 1.678 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003229742 710150435 /nfs/dbraw/zinc/15/04/35/710150435.db2.gz IKAZGHJRPZKXBE-KRWDZBQOSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC001003493984 710378042 /nfs/dbraw/zinc/37/80/42/710378042.db2.gz ZDQBLAHGAWFNBI-GJZGRUSLSA-N 2 2 333.480 1.231 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)CC[N@H+]1C ZINC001003493984 710378044 /nfs/dbraw/zinc/37/80/44/710378044.db2.gz ZDQBLAHGAWFNBI-GJZGRUSLSA-N 2 2 333.480 1.231 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)o1 ZINC001003629499 710459013 /nfs/dbraw/zinc/45/90/13/710459013.db2.gz BLTCITFHPMJITB-CYBMUJFWSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)o1 ZINC001003629499 710459014 /nfs/dbraw/zinc/45/90/14/710459014.db2.gz BLTCITFHPMJITB-CYBMUJFWSA-N 2 2 349.479 1.752 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1)C(N)=O ZINC001034671900 710616521 /nfs/dbraw/zinc/61/65/21/710616521.db2.gz ZDGUQONWQAMEQF-RAIGVLPGSA-N 2 2 329.404 1.067 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001005583162 710624730 /nfs/dbraw/zinc/62/47/30/710624730.db2.gz GPGYHMXFMDATBZ-UHFFFAOYSA-N 2 2 343.431 1.188 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC[NH+](C[C@@H]3CCOC3)CC2)c[nH+]1 ZINC001005584419 710628662 /nfs/dbraw/zinc/62/86/62/710628662.db2.gz ZPQFWVCNJLBILW-INIZCTEOSA-N 2 2 348.491 1.886 20 0 EDADLP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1)OC ZINC001005619457 710725196 /nfs/dbraw/zinc/72/51/96/710725196.db2.gz ZPWFLXQZAVNLED-NVXWUHKLSA-N 2 2 348.491 1.793 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001032943468 710916546 /nfs/dbraw/zinc/91/65/46/710916546.db2.gz FHSNHKGRQSMAGC-GOEBONIOSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001032943468 710916548 /nfs/dbraw/zinc/91/65/48/710916548.db2.gz FHSNHKGRQSMAGC-GOEBONIOSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001032943468 710916550 /nfs/dbraw/zinc/91/65/50/710916550.db2.gz FHSNHKGRQSMAGC-GOEBONIOSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001032943468 710916552 /nfs/dbraw/zinc/91/65/52/710916552.db2.gz FHSNHKGRQSMAGC-GOEBONIOSA-N 2 2 336.867 1.862 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001034744069 710946878 /nfs/dbraw/zinc/94/68/78/710946878.db2.gz JVLXFKZQJBTBQV-SHTZXODSSA-N 2 2 331.395 1.704 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c(C)s1 ZINC001032960030 710967024 /nfs/dbraw/zinc/96/70/24/710967024.db2.gz LQECGUDWXJWIGC-ZBFHGGJFSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c(C)s1 ZINC001032960030 710967027 /nfs/dbraw/zinc/96/70/27/710967027.db2.gz LQECGUDWXJWIGC-ZBFHGGJFSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)s1 ZINC001032960030 710967029 /nfs/dbraw/zinc/96/70/29/710967029.db2.gz LQECGUDWXJWIGC-ZBFHGGJFSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)s1 ZINC001032960030 710967031 /nfs/dbraw/zinc/96/70/31/710967031.db2.gz LQECGUDWXJWIGC-ZBFHGGJFSA-N 2 2 336.505 1.887 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC001032971882 711035045 /nfs/dbraw/zinc/03/50/45/711035045.db2.gz ANONKNMHXOHIOB-MSOLQXFVSA-N 2 2 349.450 1.519 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC001032971882 711035052 /nfs/dbraw/zinc/03/50/52/711035052.db2.gz ANONKNMHXOHIOB-MSOLQXFVSA-N 2 2 349.450 1.519 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC001032971882 711035056 /nfs/dbraw/zinc/03/50/56/711035056.db2.gz ANONKNMHXOHIOB-MSOLQXFVSA-N 2 2 349.450 1.519 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC001032971882 711035061 /nfs/dbraw/zinc/03/50/61/711035061.db2.gz ANONKNMHXOHIOB-MSOLQXFVSA-N 2 2 349.450 1.519 20 0 EDADLP CCOc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001032968541 711043637 /nfs/dbraw/zinc/04/36/37/711043637.db2.gz RGSKDNQGVPZWDV-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP CCOc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001032968541 711043639 /nfs/dbraw/zinc/04/36/39/711043639.db2.gz RGSKDNQGVPZWDV-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP CCOc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001032968541 711043641 /nfs/dbraw/zinc/04/36/41/711043641.db2.gz RGSKDNQGVPZWDV-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP CCOc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001032968541 711043644 /nfs/dbraw/zinc/04/36/44/711043644.db2.gz RGSKDNQGVPZWDV-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001003974753 711134737 /nfs/dbraw/zinc/13/47/37/711134737.db2.gz JOOTWHXTCIZVCE-TZMCWYRMSA-N 2 2 334.468 1.097 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001003974753 711134742 /nfs/dbraw/zinc/13/47/42/711134742.db2.gz JOOTWHXTCIZVCE-TZMCWYRMSA-N 2 2 334.468 1.097 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001034801630 711141847 /nfs/dbraw/zinc/14/18/47/711141847.db2.gz MVEYQXFYESRTLN-UBHSHLNASA-N 2 2 332.408 1.353 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2cncs2)CC1 ZINC001005719631 711143723 /nfs/dbraw/zinc/14/37/23/711143723.db2.gz SILJDSGJZYXCPB-UHFFFAOYSA-N 2 2 333.461 1.771 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)c1cnccn1 ZINC001034802040 711144199 /nfs/dbraw/zinc/14/41/99/711144199.db2.gz VOXRYDNXDHTLIU-RBSFLKMASA-N 2 2 328.420 1.451 20 0 EDADLP Cc1nc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2)co1 ZINC001034810752 711172009 /nfs/dbraw/zinc/17/20/09/711172009.db2.gz KDFHQNNPJTWJRK-GOSISDBHSA-N 2 2 342.443 1.983 20 0 EDADLP Cc1nc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2)co1 ZINC001034810752 711172012 /nfs/dbraw/zinc/17/20/12/711172012.db2.gz KDFHQNNPJTWJRK-GOSISDBHSA-N 2 2 342.443 1.983 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC001003975416 711172428 /nfs/dbraw/zinc/17/24/28/711172428.db2.gz MFGWFINEZWJMMB-ZDUSSCGKSA-N 2 2 340.418 1.979 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003984005 711184539 /nfs/dbraw/zinc/18/45/39/711184539.db2.gz YIENKCMSEIVDIH-UHFFFAOYSA-N 2 2 342.447 1.276 20 0 EDADLP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(C3CC3)no2)CCC1 ZINC001034957047 711428038 /nfs/dbraw/zinc/42/80/38/711428038.db2.gz IUMODHYLBFSDKC-CQSZACIVSA-N 2 2 347.463 1.512 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001034957957 711430391 /nfs/dbraw/zinc/43/03/91/711430391.db2.gz QYEKQXZZNYRIGM-CQSZACIVSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001034957957 711430395 /nfs/dbraw/zinc/43/03/95/711430395.db2.gz QYEKQXZZNYRIGM-CQSZACIVSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001004147412 711559482 /nfs/dbraw/zinc/55/94/82/711559482.db2.gz GWYPOBILZGUFAY-CYBMUJFWSA-N 2 2 335.452 1.369 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004501192 711901318 /nfs/dbraw/zinc/90/13/18/711901318.db2.gz YKMTYHYNTOBDEB-QGZVFWFLSA-N 2 2 348.491 1.438 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004501192 711901319 /nfs/dbraw/zinc/90/13/19/711901319.db2.gz YKMTYHYNTOBDEB-QGZVFWFLSA-N 2 2 348.491 1.438 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@H]2CCC[N@@H+]2Cc2ccon2)CC1 ZINC001004585421 712019079 /nfs/dbraw/zinc/01/90/79/712019079.db2.gz FPMLDUIHIKXYRM-MRXNPFEDSA-N 2 2 343.431 1.843 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@H]2CCC[N@H+]2Cc2ccon2)CC1 ZINC001004585421 712019080 /nfs/dbraw/zinc/01/90/80/712019080.db2.gz FPMLDUIHIKXYRM-MRXNPFEDSA-N 2 2 343.431 1.843 20 0 EDADLP CC(C)(C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1)c1c[nH+]c[nH]1 ZINC001004594933 712033980 /nfs/dbraw/zinc/03/39/80/712033980.db2.gz CHKZCEGUYRXQFV-OAHLLOKOSA-N 2 2 334.464 1.383 20 0 EDADLP CC(C)(C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1)c1c[nH+]c[nH]1 ZINC001004594933 712033982 /nfs/dbraw/zinc/03/39/82/712033982.db2.gz CHKZCEGUYRXQFV-OAHLLOKOSA-N 2 2 334.464 1.383 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598311 712041312 /nfs/dbraw/zinc/04/13/12/712041312.db2.gz WDBRFMFYJRBWBS-ZBFHGGJFSA-N 2 2 348.491 1.771 20 0 EDADLP C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001004598311 712041314 /nfs/dbraw/zinc/04/13/14/712041314.db2.gz WDBRFMFYJRBWBS-ZBFHGGJFSA-N 2 2 348.491 1.771 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004609106 712061940 /nfs/dbraw/zinc/06/19/40/712061940.db2.gz FIFXIHCNGJTZHA-KRWDZBQOSA-N 2 2 334.464 1.346 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004609106 712061942 /nfs/dbraw/zinc/06/19/42/712061942.db2.gz FIFXIHCNGJTZHA-KRWDZBQOSA-N 2 2 334.464 1.346 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004609044 712061991 /nfs/dbraw/zinc/06/19/91/712061991.db2.gz DIFBWHMXPGDBII-QGZVFWFLSA-N 2 2 334.464 1.048 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004609044 712061995 /nfs/dbraw/zinc/06/19/95/712061995.db2.gz DIFBWHMXPGDBII-QGZVFWFLSA-N 2 2 334.464 1.048 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@H]2CCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001004627519 712085811 /nfs/dbraw/zinc/08/58/11/712085811.db2.gz ZUXYMHYZLDNMSQ-SJLPKXTDSA-N 2 2 346.475 1.623 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001004627519 712085812 /nfs/dbraw/zinc/08/58/12/712085812.db2.gz ZUXYMHYZLDNMSQ-SJLPKXTDSA-N 2 2 346.475 1.623 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C2CC2)[nH+]1 ZINC001061543164 712310539 /nfs/dbraw/zinc/31/05/39/712310539.db2.gz VVRFNXDELDPGFP-ZBFHGGJFSA-N 2 2 343.475 1.699 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C2CC2)[nH+]1 ZINC001061543164 712310541 /nfs/dbraw/zinc/31/05/41/712310541.db2.gz VVRFNXDELDPGFP-ZBFHGGJFSA-N 2 2 343.475 1.699 20 0 EDADLP CS[C@H](C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000119341193 295659980 /nfs/dbraw/zinc/65/99/80/295659980.db2.gz MJFRLNXRVXWPEW-OAHLLOKOSA-N 2 2 342.553 1.987 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000362731864 299096710 /nfs/dbraw/zinc/09/67/10/299096710.db2.gz UUMRTWTZNOKAKK-MWDXBVQZSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000362731864 299096714 /nfs/dbraw/zinc/09/67/14/299096714.db2.gz UUMRTWTZNOKAKK-MWDXBVQZSA-N 2 2 338.496 1.364 20 0 EDADLP C[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)C1CC([NH3+])C1 ZINC000420323287 282355157 /nfs/dbraw/zinc/35/51/57/282355157.db2.gz BGKWUMMKHJJVLY-UHFFFAOYSA-N 2 2 345.365 1.665 20 0 EDADLP C[N@@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)C1CC([NH3+])C1 ZINC000420323287 282355158 /nfs/dbraw/zinc/35/51/58/282355158.db2.gz BGKWUMMKHJJVLY-UHFFFAOYSA-N 2 2 345.365 1.665 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000415980441 290732644 /nfs/dbraw/zinc/73/26/44/290732644.db2.gz GPUBVZHGXVVKFK-QGZVFWFLSA-N 2 2 332.448 1.735 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000332823717 539605883 /nfs/dbraw/zinc/60/58/83/539605883.db2.gz FZKUKHAADDUTKO-HUUCEWRRSA-N 2 2 345.491 1.985 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)N1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000332823717 539605887 /nfs/dbraw/zinc/60/58/87/539605887.db2.gz FZKUKHAADDUTKO-HUUCEWRRSA-N 2 2 345.491 1.985 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000412426654 304007047 /nfs/dbraw/zinc/00/70/47/304007047.db2.gz OADAKKBCFKLVRZ-AWEZNQCLSA-N 2 2 340.493 1.936 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000561212001 306284856 /nfs/dbraw/zinc/28/48/56/306284856.db2.gz PJPGNPGCAJUOEI-UHFFFAOYSA-N 2 2 348.491 1.706 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)[nH+]c1 ZINC000151180446 539745352 /nfs/dbraw/zinc/74/53/52/539745352.db2.gz YGMMCPNMHAZMDJ-GJZGRUSLSA-N 2 2 335.452 1.210 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)[nH+]c1 ZINC000151180446 539745358 /nfs/dbraw/zinc/74/53/58/539745358.db2.gz YGMMCPNMHAZMDJ-GJZGRUSLSA-N 2 2 335.452 1.210 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353521345 539934315 /nfs/dbraw/zinc/93/43/15/539934315.db2.gz RFOVPBMDFIQMDK-KURKYZTESA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353521345 539934318 /nfs/dbraw/zinc/93/43/18/539934318.db2.gz RFOVPBMDFIQMDK-KURKYZTESA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000562970285 306314009 /nfs/dbraw/zinc/31/40/09/306314009.db2.gz FHIISNKLCLTOPO-UHFFFAOYSA-N 2 2 346.475 1.518 20 0 EDADLP O=C([C@@H]1CSC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000563170600 306321483 /nfs/dbraw/zinc/32/14/83/306321483.db2.gz VKQVXMDTEMBKFZ-INIZCTEOSA-N 2 2 349.504 1.245 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)C1CCCC1 ZINC000639762371 452101257 /nfs/dbraw/zinc/10/12/57/452101257.db2.gz SFTQZJMOOHZHPJ-GOSISDBHSA-N 2 2 325.497 1.555 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)C1CCCC1 ZINC000639762371 452101261 /nfs/dbraw/zinc/10/12/61/452101261.db2.gz SFTQZJMOOHZHPJ-GOSISDBHSA-N 2 2 325.497 1.555 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000285287776 540080530 /nfs/dbraw/zinc/08/05/30/540080530.db2.gz IUGWYGHOGDLXGP-HKUYNNGSSA-N 2 2 342.443 1.873 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000285287776 540080533 /nfs/dbraw/zinc/08/05/33/540080533.db2.gz IUGWYGHOGDLXGP-HKUYNNGSSA-N 2 2 342.443 1.873 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000291114964 540090853 /nfs/dbraw/zinc/09/08/53/540090853.db2.gz CVKBFCZIQAGISA-QGZVFWFLSA-N 2 2 328.416 1.327 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000291114964 540090856 /nfs/dbraw/zinc/09/08/56/540090856.db2.gz CVKBFCZIQAGISA-QGZVFWFLSA-N 2 2 328.416 1.327 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183809369 235232748 /nfs/dbraw/zinc/23/27/48/235232748.db2.gz XHQRMAUUZNECQX-QGZVFWFLSA-N 2 2 342.443 1.655 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183809383 235232790 /nfs/dbraw/zinc/23/27/90/235232790.db2.gz XHQRMAUUZNECQX-KRWDZBQOSA-N 2 2 342.443 1.655 20 0 EDADLP c1ccc(N2CCO[C@@H](C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000563349587 306328930 /nfs/dbraw/zinc/32/89/30/306328930.db2.gz HPLZJOFYWLWMBZ-QUCCMNQESA-N 2 2 345.487 1.546 20 0 EDADLP c1ccc(N2CCO[C@@H](C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000563349587 306328931 /nfs/dbraw/zinc/32/89/31/306328931.db2.gz HPLZJOFYWLWMBZ-QUCCMNQESA-N 2 2 345.487 1.546 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000563455723 306334531 /nfs/dbraw/zinc/33/45/31/306334531.db2.gz GBRVXACYAOADJU-MRXNPFEDSA-N 2 2 328.420 1.038 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cnn(Cc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000563455723 306334532 /nfs/dbraw/zinc/33/45/32/306334532.db2.gz GBRVXACYAOADJU-MRXNPFEDSA-N 2 2 328.420 1.038 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc2n1C ZINC000563489461 306335400 /nfs/dbraw/zinc/33/54/00/306335400.db2.gz ZCAAHDIXOYXATL-CQSZACIVSA-N 2 2 345.447 1.652 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000066664824 138180558 /nfs/dbraw/zinc/18/05/58/138180558.db2.gz BVLOPMARRWFRHT-CALCHBBNSA-N 2 2 336.524 1.393 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000066664824 138180559 /nfs/dbraw/zinc/18/05/59/138180559.db2.gz BVLOPMARRWFRHT-CALCHBBNSA-N 2 2 336.524 1.393 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000067459236 138188102 /nfs/dbraw/zinc/18/81/02/138188102.db2.gz DJNWLSDUOQORKV-SFHVURJKSA-N 2 2 349.475 1.861 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000067459236 138188107 /nfs/dbraw/zinc/18/81/07/138188107.db2.gz DJNWLSDUOQORKV-SFHVURJKSA-N 2 2 349.475 1.861 20 0 EDADLP CCc1nnc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000076331462 138248045 /nfs/dbraw/zinc/24/80/45/138248045.db2.gz STWNBGJQUFBZFS-UHFFFAOYSA-N 2 2 340.497 1.590 20 0 EDADLP CCc1nnc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000076331462 138248046 /nfs/dbraw/zinc/24/80/46/138248046.db2.gz STWNBGJQUFBZFS-UHFFFAOYSA-N 2 2 340.497 1.590 20 0 EDADLP CCCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000076951534 138250523 /nfs/dbraw/zinc/25/05/23/138250523.db2.gz FDNCCRVKWQEPPM-UHFFFAOYSA-N 2 2 339.505 1.487 20 0 EDADLP CCCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000076951534 138250524 /nfs/dbraw/zinc/25/05/24/138250524.db2.gz FDNCCRVKWQEPPM-UHFFFAOYSA-N 2 2 339.505 1.487 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000077120886 138251462 /nfs/dbraw/zinc/25/14/62/138251462.db2.gz DMKYADRXFUHRRJ-UHFFFAOYSA-N 2 2 334.370 1.928 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@@H](C3CCC3)C2)CC1 ZINC000413394464 304059980 /nfs/dbraw/zinc/05/99/80/304059980.db2.gz BCTJMDHOPCOXTA-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP COC(=O)C1(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CCCCC1 ZINC000123896637 138322118 /nfs/dbraw/zinc/32/21/18/138322118.db2.gz KLVFHICRLPKJHL-GJZGRUSLSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)CCCCC1 ZINC000123896637 138322119 /nfs/dbraw/zinc/32/21/19/138322119.db2.gz KLVFHICRLPKJHL-GJZGRUSLSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC000123896637 138322120 /nfs/dbraw/zinc/32/21/20/138322120.db2.gz KLVFHICRLPKJHL-GJZGRUSLSA-N 2 2 339.480 1.393 20 0 EDADLP COC(=O)C1(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000123896637 138322121 /nfs/dbraw/zinc/32/21/21/138322121.db2.gz KLVFHICRLPKJHL-GJZGRUSLSA-N 2 2 339.480 1.393 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123974609 138322787 /nfs/dbraw/zinc/32/27/87/138322787.db2.gz XGPHBFDSYGNAJZ-DOTOQJQBSA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123974609 138322788 /nfs/dbraw/zinc/32/27/88/138322788.db2.gz XGPHBFDSYGNAJZ-DOTOQJQBSA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123974609 138322789 /nfs/dbraw/zinc/32/27/89/138322789.db2.gz XGPHBFDSYGNAJZ-DOTOQJQBSA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123974609 138322790 /nfs/dbraw/zinc/32/27/90/138322790.db2.gz XGPHBFDSYGNAJZ-DOTOQJQBSA-N 2 2 333.476 1.768 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131182610 138353466 /nfs/dbraw/zinc/35/34/66/138353466.db2.gz GAEKBJZDDUFIMI-SFHVURJKSA-N 2 2 344.459 1.559 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131182610 138353467 /nfs/dbraw/zinc/35/34/67/138353467.db2.gz GAEKBJZDDUFIMI-SFHVURJKSA-N 2 2 344.459 1.559 20 0 EDADLP COc1ccc([C@@H](NC(=O)NCC[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000133376285 138392192 /nfs/dbraw/zinc/39/21/92/138392192.db2.gz ICIZJKJKGAITRT-OAHLLOKOSA-N 2 2 331.420 1.379 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000369665722 155131842 /nfs/dbraw/zinc/13/18/42/155131842.db2.gz PRHYQSHNUHMAKB-ZBFHGGJFSA-N 2 2 344.463 1.928 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc3ccccc3n2)C[C@H](C)O1 ZINC000564202208 306356592 /nfs/dbraw/zinc/35/65/92/306356592.db2.gz CZGJRKQPNTVERJ-RVKKMQEKSA-N 2 2 329.444 1.795 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc3ccccc3n2)C[C@H](C)O1 ZINC000564202208 306356593 /nfs/dbraw/zinc/35/65/93/306356593.db2.gz CZGJRKQPNTVERJ-RVKKMQEKSA-N 2 2 329.444 1.795 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC000564847079 306367110 /nfs/dbraw/zinc/36/71/10/306367110.db2.gz XRDCRCMMRFLOTR-HLLBOEOZSA-N 2 2 340.439 1.654 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC000564847079 306367111 /nfs/dbraw/zinc/36/71/11/306367111.db2.gz XRDCRCMMRFLOTR-HLLBOEOZSA-N 2 2 340.439 1.654 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000565154724 306376160 /nfs/dbraw/zinc/37/61/60/306376160.db2.gz BAZNJUYWRDTWPA-JSGCOSHPSA-N 2 2 325.840 1.647 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000565154724 306376161 /nfs/dbraw/zinc/37/61/61/306376161.db2.gz BAZNJUYWRDTWPA-JSGCOSHPSA-N 2 2 325.840 1.647 20 0 EDADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000186126103 138812985 /nfs/dbraw/zinc/81/29/85/138812985.db2.gz KBNQSBACMRPSKM-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000565588133 306387339 /nfs/dbraw/zinc/38/73/39/306387339.db2.gz ZLCNZHMRCJBXIJ-YJBOKZPZSA-N 2 2 346.475 1.316 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[N@@H+](C)CC3)CC2)cs1 ZINC000069155272 201164358 /nfs/dbraw/zinc/16/43/58/201164358.db2.gz SIQTZZLUDSFJQD-UHFFFAOYSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[N@H+](C)CC3)CC2)cs1 ZINC000069155272 201164362 /nfs/dbraw/zinc/16/43/62/201164362.db2.gz SIQTZZLUDSFJQD-UHFFFAOYSA-N 2 2 336.505 1.828 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414343525 304108788 /nfs/dbraw/zinc/10/87/88/304108788.db2.gz QSJIGMSFJJVXGQ-GFCCVEGCSA-N 2 2 341.358 1.438 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414343525 304108789 /nfs/dbraw/zinc/10/87/89/304108789.db2.gz QSJIGMSFJJVXGQ-GFCCVEGCSA-N 2 2 341.358 1.438 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nn1C ZINC000414356073 304111055 /nfs/dbraw/zinc/11/10/55/304111055.db2.gz DEXTYJFJZNWSPI-IEBWSBKVSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)nn1C ZINC000414356073 304111058 /nfs/dbraw/zinc/11/10/58/304111058.db2.gz DEXTYJFJZNWSPI-IEBWSBKVSA-N 2 2 328.460 1.701 20 0 EDADLP C[C@@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC000565946452 306394927 /nfs/dbraw/zinc/39/49/27/306394927.db2.gz SSNGVOQCNXMEQV-WMLDXEAASA-N 2 2 326.868 1.801 20 0 EDADLP C[C@H]1[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000345788082 291307832 /nfs/dbraw/zinc/30/78/32/291307832.db2.gz QVVBHIXIXMOCMJ-DOTOQJQBSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000345788082 291307835 /nfs/dbraw/zinc/30/78/35/291307835.db2.gz QVVBHIXIXMOCMJ-DOTOQJQBSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC[NH+]1C ZINC000345788082 291307838 /nfs/dbraw/zinc/30/78/38/291307838.db2.gz QVVBHIXIXMOCMJ-DOTOQJQBSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC[NH+]1C ZINC000345788082 291307841 /nfs/dbraw/zinc/30/78/41/291307841.db2.gz QVVBHIXIXMOCMJ-DOTOQJQBSA-N 3 2 339.528 1.137 20 0 EDADLP C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000414462033 304116504 /nfs/dbraw/zinc/11/65/04/304116504.db2.gz LUDCOTJBIHVUJS-UHFFFAOYSA-N 2 2 348.472 1.646 20 0 EDADLP O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011412 203070723 /nfs/dbraw/zinc/07/07/23/203070723.db2.gz SDSNFMAWFARUCA-WOJBJXKFSA-N 2 2 348.487 1.608 20 0 EDADLP O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011412 203070725 /nfs/dbraw/zinc/07/07/25/203070725.db2.gz SDSNFMAWFARUCA-WOJBJXKFSA-N 2 2 348.487 1.608 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)Cc1ccccc1 ZINC000566800301 306429205 /nfs/dbraw/zinc/42/92/05/306429205.db2.gz WUZOZTZGNPPLCD-AEFFLSMTSA-N 2 2 326.444 1.735 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000076003091 203331415 /nfs/dbraw/zinc/33/14/15/203331415.db2.gz IEGFVERMPDKHOI-MRXNPFEDSA-N 2 2 333.476 1.975 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000076003091 203331417 /nfs/dbraw/zinc/33/14/17/203331417.db2.gz IEGFVERMPDKHOI-MRXNPFEDSA-N 2 2 333.476 1.975 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000076546325 203357286 /nfs/dbraw/zinc/35/72/86/203357286.db2.gz XCEOYHWZNPQLBB-UHFFFAOYSA-N 2 2 343.431 1.419 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000415033831 304153038 /nfs/dbraw/zinc/15/30/38/304153038.db2.gz HIQPHZSOTDJFPG-GOSISDBHSA-N 3 2 332.492 1.297 20 0 EDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3C[NH2+]CCO3)cnc12 ZINC000415091356 304158650 /nfs/dbraw/zinc/15/86/50/304158650.db2.gz CCOFUSRKGMMYSD-ZDUSSCGKSA-N 2 2 339.237 1.483 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)c1 ZINC000104716999 204116982 /nfs/dbraw/zinc/11/69/82/204116982.db2.gz CGGINDILQOIBGG-UHFFFAOYSA-N 2 2 326.400 1.511 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2c[nH+]ccc2OC)CC1=O ZINC000105323487 204144522 /nfs/dbraw/zinc/14/45/22/204144522.db2.gz JSVAAECMSPEHJY-KGLIPLIRSA-N 2 2 346.431 1.362 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2c[nH+]ccc2OC)CC1=O ZINC000105323487 204144525 /nfs/dbraw/zinc/14/45/25/204144525.db2.gz JSVAAECMSPEHJY-KGLIPLIRSA-N 2 2 346.431 1.362 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)C2)CC1 ZINC000107370004 204236163 /nfs/dbraw/zinc/23/61/63/204236163.db2.gz NZGBIGDCYAGZCV-GOSISDBHSA-N 2 2 330.476 1.645 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3)C2)CC1 ZINC000107370004 204236169 /nfs/dbraw/zinc/23/61/69/204236169.db2.gz NZGBIGDCYAGZCV-GOSISDBHSA-N 2 2 330.476 1.645 20 0 EDADLP CN(Cc1ccccn1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237174963 139042990 /nfs/dbraw/zinc/04/29/90/139042990.db2.gz WLGLIORRUCEPJC-IBGZPJMESA-N 2 2 349.438 1.855 20 0 EDADLP CC[C@@H](C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000125407614 205008410 /nfs/dbraw/zinc/00/84/10/205008410.db2.gz DOUDBMAQPXFIBO-KRWDZBQOSA-N 2 2 346.475 1.282 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H]([NH3+])CC(C)C)CC2 ZINC000237289793 139046676 /nfs/dbraw/zinc/04/66/76/139046676.db2.gz YJRVDURVGLWIGM-MRXNPFEDSA-N 2 2 349.475 1.552 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]([NH3+])CC(C)C)CC2 ZINC000237289793 139046677 /nfs/dbraw/zinc/04/66/77/139046677.db2.gz YJRVDURVGLWIGM-MRXNPFEDSA-N 2 2 349.475 1.552 20 0 EDADLP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131831198 205304730 /nfs/dbraw/zinc/30/47/30/205304730.db2.gz IHJMBYJKUNAOBL-OAHLLOKOSA-N 2 2 345.422 1.667 20 0 EDADLP C[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[NH+]1CCSCC1 ZINC000132150429 205315175 /nfs/dbraw/zinc/31/51/75/205315175.db2.gz DKKOXKAYGCTYPJ-HZPDHXFCSA-N 2 2 348.516 1.724 20 0 EDADLP [NH3+][C@@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)c1ccccc1 ZINC000237808384 139060945 /nfs/dbraw/zinc/06/09/45/139060945.db2.gz WOFGDKZTEJDIRU-LJQANCHMSA-N 2 2 349.438 1.679 20 0 EDADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000237933672 139064367 /nfs/dbraw/zinc/06/43/67/139064367.db2.gz UGDOEABRDAMVLF-QGZVFWFLSA-N 2 2 346.475 1.847 20 0 EDADLP [NH3+]Cc1nc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000238047357 139067474 /nfs/dbraw/zinc/06/74/74/139067474.db2.gz RRDXLOVJRNJGGH-AWEZNQCLSA-N 2 2 330.457 1.996 20 0 EDADLP [NH3+]Cc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000238047357 139067475 /nfs/dbraw/zinc/06/74/75/139067475.db2.gz RRDXLOVJRNJGGH-AWEZNQCLSA-N 2 2 330.457 1.996 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000111824437 220200778 /nfs/dbraw/zinc/20/07/78/220200778.db2.gz BNZMDCGAESLUNZ-OAHLLOKOSA-N 2 2 335.452 1.294 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000111824437 220200784 /nfs/dbraw/zinc/20/07/84/220200784.db2.gz BNZMDCGAESLUNZ-OAHLLOKOSA-N 2 2 335.452 1.294 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000238088645 139068619 /nfs/dbraw/zinc/06/86/19/139068619.db2.gz REJDUYMMKXAVOY-DLBZAZTESA-N 2 2 349.500 1.099 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000238088645 139068620 /nfs/dbraw/zinc/06/86/20/139068620.db2.gz REJDUYMMKXAVOY-DLBZAZTESA-N 2 2 349.500 1.099 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCNS(=O)(=O)c3ccccc3)CC[C@@H]21 ZINC000158831224 206212753 /nfs/dbraw/zinc/21/27/53/206212753.db2.gz GWLMCORZWVCDRM-WBVHZDCISA-N 2 2 337.489 1.381 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CCNS(=O)(=O)c3ccccc3)CC[C@@H]21 ZINC000158831224 206212759 /nfs/dbraw/zinc/21/27/59/206212759.db2.gz GWLMCORZWVCDRM-WBVHZDCISA-N 2 2 337.489 1.381 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CCNS(=O)(=O)c3ccccc3)CC[C@@H]21 ZINC000158831224 206212764 /nfs/dbraw/zinc/21/27/64/206212764.db2.gz GWLMCORZWVCDRM-WBVHZDCISA-N 2 2 337.489 1.381 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCNS(=O)(=O)c3ccccc3)CC[C@@H]21 ZINC000158831224 206212767 /nfs/dbraw/zinc/21/27/67/206212767.db2.gz GWLMCORZWVCDRM-WBVHZDCISA-N 2 2 337.489 1.381 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CCO1 ZINC000246042528 139093085 /nfs/dbraw/zinc/09/30/85/139093085.db2.gz YLXIMZXFAYFCMY-GOEBONIOSA-N 2 2 347.463 1.152 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCS[C@H](C)C1 ZINC000246095736 139094731 /nfs/dbraw/zinc/09/47/31/139094731.db2.gz HCXSFQAQSUMQIL-HUUCEWRRSA-N 2 2 334.489 1.556 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCS[C@H](C)C1 ZINC000246095736 139094732 /nfs/dbraw/zinc/09/47/32/139094732.db2.gz HCXSFQAQSUMQIL-HUUCEWRRSA-N 2 2 334.489 1.556 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246418242 139107820 /nfs/dbraw/zinc/10/78/20/139107820.db2.gz SQXINKYLIJJXLU-OWCLPIDISA-N 2 2 347.459 1.215 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246418242 139107821 /nfs/dbraw/zinc/10/78/21/139107821.db2.gz SQXINKYLIJJXLU-OWCLPIDISA-N 2 2 347.459 1.215 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000415307942 304190741 /nfs/dbraw/zinc/19/07/41/304190741.db2.gz WWLNJHRGRIUAFP-UHFFFAOYSA-N 2 2 335.452 1.866 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N2CC[NH2+][C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000331845128 296233582 /nfs/dbraw/zinc/23/35/82/296233582.db2.gz VCPDXJXHFOLJLS-CABCVRRESA-N 2 2 332.448 1.905 20 0 EDADLP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000265997133 248010598 /nfs/dbraw/zinc/01/05/98/248010598.db2.gz HPWVOTVHYXOSEQ-ZWKOTPCHSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000265997133 248010601 /nfs/dbraw/zinc/01/06/01/248010601.db2.gz HPWVOTVHYXOSEQ-ZWKOTPCHSA-N 2 2 334.460 1.389 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000247145244 139137674 /nfs/dbraw/zinc/13/76/74/139137674.db2.gz IANUPECACQYXOW-XHSDSOJGSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000247145244 139137675 /nfs/dbraw/zinc/13/76/75/139137675.db2.gz IANUPECACQYXOW-XHSDSOJGSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]([NH3+])CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415364592 304204873 /nfs/dbraw/zinc/20/48/73/304204873.db2.gz UOCNZSSQDXGYEC-GFCCVEGCSA-N 2 2 343.431 1.555 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c1 ZINC000568856966 306490274 /nfs/dbraw/zinc/49/02/74/306490274.db2.gz GNZYBRIFJNDEBD-UHFFFAOYSA-N 2 2 329.404 1.185 20 0 EDADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000252444670 139204492 /nfs/dbraw/zinc/20/44/92/139204492.db2.gz ZPUVWPCZQBXZDO-BBWFWOEESA-N 2 2 339.524 1.943 20 0 EDADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000252444670 139204493 /nfs/dbraw/zinc/20/44/93/139204493.db2.gz ZPUVWPCZQBXZDO-BBWFWOEESA-N 2 2 339.524 1.943 20 0 EDADLP C[C@]([NH3+])(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000261645246 139214023 /nfs/dbraw/zinc/21/40/23/139214023.db2.gz IZSOOSFYUIADQB-LJQANCHMSA-N 2 2 340.427 1.409 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261632597 139212873 /nfs/dbraw/zinc/21/28/73/139212873.db2.gz FNTMEBJRTZDDAN-UGSOOPFHSA-N 2 2 335.448 1.552 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261632597 139212874 /nfs/dbraw/zinc/21/28/74/139212874.db2.gz FNTMEBJRTZDDAN-UGSOOPFHSA-N 2 2 335.448 1.552 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000261700038 139218735 /nfs/dbraw/zinc/21/87/35/139218735.db2.gz IGTIJZZEOIIZAI-KURKYZTESA-N 2 2 331.460 1.239 20 0 EDADLP COc1cc(OC)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000261760579 139223817 /nfs/dbraw/zinc/22/38/17/139223817.db2.gz VTGNQJAGPOHYKU-CQSZACIVSA-N 2 2 335.448 1.192 20 0 EDADLP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC[NH2+]1 ZINC000569122379 306497430 /nfs/dbraw/zinc/49/74/30/306497430.db2.gz GQJKJJPHCNVIBA-LESCRADOSA-N 3 2 341.459 1.058 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261780711 139225316 /nfs/dbraw/zinc/22/53/16/139225316.db2.gz MZLKPLHTPOVSOF-LJQANCHMSA-N 2 2 333.476 1.899 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261780711 139225317 /nfs/dbraw/zinc/22/53/17/139225317.db2.gz MZLKPLHTPOVSOF-LJQANCHMSA-N 2 2 333.476 1.899 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2[nH+]c1C1CC1 ZINC000415460630 304223690 /nfs/dbraw/zinc/22/36/90/304223690.db2.gz YZYPEWPYHGMCHM-CQSZACIVSA-N 2 2 341.415 1.243 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000261937124 139238531 /nfs/dbraw/zinc/23/85/31/139238531.db2.gz UCLHGMRVJIBOPH-KSZLIROESA-N 2 2 328.460 1.647 20 0 EDADLP C[NH2+]CCC1CC[NH+](CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000261980764 139241542 /nfs/dbraw/zinc/24/15/42/139241542.db2.gz HXIHRYJBIDMSCR-UHFFFAOYSA-N 2 2 336.461 1.330 20 0 EDADLP [NH3+]C1(c2noc(CC[NH+]3CCN(c4ccccn4)CC3)n2)CCC1 ZINC000261988471 139242138 /nfs/dbraw/zinc/24/21/38/139242138.db2.gz SAYCHVXMFUBCSG-UHFFFAOYSA-N 2 2 328.420 1.167 20 0 EDADLP CCO[C@H](C)c1noc(CN2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262039563 139245885 /nfs/dbraw/zinc/24/58/85/139245885.db2.gz OZOHHJBCOSTNJE-RHSMWYFYSA-N 2 2 337.468 1.284 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C1(C[NH3+])CCOCC1)c1c(F)cccc1F ZINC000262078519 139249138 /nfs/dbraw/zinc/24/91/38/139249138.db2.gz CFTHBFJMVJQSAZ-CQSZACIVSA-N 2 2 341.402 1.439 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)C ZINC000174237304 207002695 /nfs/dbraw/zinc/00/26/95/207002695.db2.gz BJJQCTGCXCKGAO-UHFFFAOYSA-N 2 2 342.528 1.905 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1CCOCC1(C)C)C(C)C ZINC000174237304 207002698 /nfs/dbraw/zinc/00/26/98/207002698.db2.gz BJJQCTGCXCKGAO-UHFFFAOYSA-N 2 2 342.528 1.905 20 0 EDADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000569238271 306501031 /nfs/dbraw/zinc/50/10/31/306501031.db2.gz JJJSMNDZYVQPCH-GDBMZVCRSA-N 2 2 335.452 1.061 20 0 EDADLP CC(=O)N(c1nc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1)C1CC1 ZINC000262108647 139251595 /nfs/dbraw/zinc/25/15/95/139251595.db2.gz JZDPOKNSKDTEGI-INIZCTEOSA-N 2 2 349.504 1.138 20 0 EDADLP CC(=O)N(c1nc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1)C1CC1 ZINC000262108647 139251596 /nfs/dbraw/zinc/25/15/96/139251596.db2.gz JZDPOKNSKDTEGI-INIZCTEOSA-N 2 2 349.504 1.138 20 0 EDADLP O[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)COc1cccc2[nH]ccc21 ZINC000569333860 306503819 /nfs/dbraw/zinc/50/38/19/306503819.db2.gz ZZULGNBRECMVHR-UONOGXRCSA-N 2 2 326.400 1.709 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)c[nH+]1 ZINC000417002692 251127296 /nfs/dbraw/zinc/12/72/96/251127296.db2.gz GGVUHEGBNANTGB-GFCCVEGCSA-N 2 2 327.379 1.192 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)[NH+]2CCOCC2)c1 ZINC000416996424 251123614 /nfs/dbraw/zinc/12/36/14/251123614.db2.gz MROMADINPIXJIP-QZTJIDSGSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415575823 304229880 /nfs/dbraw/zinc/22/98/80/304229880.db2.gz XMWDNZWCZKEVNM-QWHCGFSZSA-N 2 2 327.388 1.020 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F)[NH+]1CCC(C)CC1 ZINC000417311462 251154936 /nfs/dbraw/zinc/15/49/36/251154936.db2.gz LXONNRCUNPNFSD-UONOGXRCSA-N 2 2 332.439 1.651 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417580891 251196063 /nfs/dbraw/zinc/19/60/63/251196063.db2.gz DZXNZWKAKYPYPT-CHWSQXEVSA-N 2 2 340.418 1.823 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417580891 251196068 /nfs/dbraw/zinc/19/60/68/251196068.db2.gz DZXNZWKAKYPYPT-CHWSQXEVSA-N 2 2 340.418 1.823 20 0 EDADLP CC(C)(C[NH3+])NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417579244 251196560 /nfs/dbraw/zinc/19/65/60/251196560.db2.gz ACRAKOOZROLQRU-LBPRGKRZSA-N 2 2 340.418 1.966 20 0 EDADLP CC(C)(C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417579244 251196565 /nfs/dbraw/zinc/19/65/65/251196565.db2.gz ACRAKOOZROLQRU-LBPRGKRZSA-N 2 2 340.418 1.966 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417587022 251197281 /nfs/dbraw/zinc/19/72/81/251197281.db2.gz ROUGHTXHWDRIKQ-OLZOCXBDSA-N 2 2 340.418 1.966 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417587022 251197284 /nfs/dbraw/zinc/19/72/84/251197284.db2.gz ROUGHTXHWDRIKQ-OLZOCXBDSA-N 2 2 340.418 1.966 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417828269 251285872 /nfs/dbraw/zinc/28/58/72/251285872.db2.gz OUXHOBUBYJFVEW-AVGNSLFASA-N 2 2 326.466 1.156 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417828269 251285876 /nfs/dbraw/zinc/28/58/76/251285876.db2.gz OUXHOBUBYJFVEW-AVGNSLFASA-N 2 2 326.466 1.156 20 0 EDADLP CCn1nncc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000417869160 251305507 /nfs/dbraw/zinc/30/55/07/251305507.db2.gz HKTYJYRJWLJLEY-OAHLLOKOSA-N 2 2 329.448 1.809 20 0 EDADLP CCn1nncc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000417869160 251305513 /nfs/dbraw/zinc/30/55/13/251305513.db2.gz HKTYJYRJWLJLEY-OAHLLOKOSA-N 2 2 329.448 1.809 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC2CC[NH2+]CC2)c1 ZINC000262504921 139282954 /nfs/dbraw/zinc/28/29/54/139282954.db2.gz JJGVZGKDIBLOCI-UHFFFAOYSA-N 2 2 341.415 1.394 20 0 EDADLP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000262665988 139294692 /nfs/dbraw/zinc/29/46/92/139294692.db2.gz JZIOQPXDYZEECQ-KZNAEPCWSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]([NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000569569965 306511110 /nfs/dbraw/zinc/51/11/10/306511110.db2.gz JMMHOGLBKVZMRZ-ARFHVFGLSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CCc2nc(NC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)sc2C1 ZINC000262804334 139304892 /nfs/dbraw/zinc/30/48/92/139304892.db2.gz PPDXGQHTKLWNFZ-NSHDSACASA-N 2 2 346.460 1.504 20 0 EDADLP C[N@H+]1CCc2nc(NC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)sc2C1 ZINC000262804334 139304893 /nfs/dbraw/zinc/30/48/93/139304893.db2.gz PPDXGQHTKLWNFZ-NSHDSACASA-N 2 2 346.460 1.504 20 0 EDADLP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422864644 252005552 /nfs/dbraw/zinc/00/55/52/252005552.db2.gz NKTKCRJBGIECKJ-JQFCIGGWSA-N 2 2 337.414 1.900 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422886072 252012149 /nfs/dbraw/zinc/01/21/49/252012149.db2.gz VYNYRMRQNHDZEX-LPHOPBHVSA-N 3 2 344.503 1.694 20 0 EDADLP C[C@H](NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422886072 252012151 /nfs/dbraw/zinc/01/21/51/252012151.db2.gz VYNYRMRQNHDZEX-LPHOPBHVSA-N 2 2 344.503 1.694 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422892921 252013134 /nfs/dbraw/zinc/01/31/34/252013134.db2.gz ZTYOZMSJNVQEAG-ATZDWAIDSA-N 3 2 344.503 1.614 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422892921 252013138 /nfs/dbraw/zinc/01/31/38/252013138.db2.gz ZTYOZMSJNVQEAG-ATZDWAIDSA-N 3 2 344.503 1.614 20 0 EDADLP Cc1nc(N2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)cc[nH+]1 ZINC000423785295 252071678 /nfs/dbraw/zinc/07/16/78/252071678.db2.gz RKWAQYCEWWJBAK-UHFFFAOYSA-N 2 2 331.464 1.733 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)ccc1OC(F)F ZINC000423481823 252054655 /nfs/dbraw/zinc/05/46/55/252054655.db2.gz QTHUPJADDIOZPM-DGCLKSJQSA-N 2 2 329.391 1.851 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CC)CC[NH2+]CC1 ZINC000422912298 252020212 /nfs/dbraw/zinc/02/02/12/252020212.db2.gz VWJNHNPMDZUYDQ-HOTGVXAUSA-N 3 2 325.497 1.772 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CC)CC[NH2+]CC1 ZINC000422912298 252020215 /nfs/dbraw/zinc/02/02/15/252020215.db2.gz VWJNHNPMDZUYDQ-HOTGVXAUSA-N 3 2 325.497 1.772 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423864803 252095572 /nfs/dbraw/zinc/09/55/72/252095572.db2.gz ZMVHWZFJUGPELF-HOTGVXAUSA-N 2 2 331.460 1.728 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423864803 252095574 /nfs/dbraw/zinc/09/55/74/252095574.db2.gz ZMVHWZFJUGPELF-HOTGVXAUSA-N 2 2 331.460 1.728 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000423866569 252098613 /nfs/dbraw/zinc/09/86/13/252098613.db2.gz FPCLSTPMGGKCDL-SZVBFZGTSA-N 2 2 331.460 1.430 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000423807846 252085249 /nfs/dbraw/zinc/08/52/49/252085249.db2.gz YBFAEMOTADHOQQ-WBVHZDCISA-N 2 2 326.444 1.944 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424277870 252187973 /nfs/dbraw/zinc/18/79/73/252187973.db2.gz BCMYSEFMWGSNPU-NUEKZKHPSA-N 2 2 349.475 1.910 20 0 EDADLP COCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424331261 252195941 /nfs/dbraw/zinc/19/59/41/252195941.db2.gz JJVNNKKHLYRPMG-IAGOWNOFSA-N 2 2 335.448 1.188 20 0 EDADLP COCC[NH2+]CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000168595634 533018169 /nfs/dbraw/zinc/01/81/69/533018169.db2.gz HONACQZLEWKWPN-CYBMUJFWSA-N 2 2 341.402 1.281 20 0 EDADLP COCC[NH2+]CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000168595634 533018174 /nfs/dbraw/zinc/01/81/74/533018174.db2.gz HONACQZLEWKWPN-CYBMUJFWSA-N 2 2 341.402 1.281 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)ccc2[nH+]1 ZINC000415674595 304253809 /nfs/dbraw/zinc/25/38/09/304253809.db2.gz HWUCZHSVIWPIET-CYBMUJFWSA-N 2 2 329.404 1.169 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000112466077 220332693 /nfs/dbraw/zinc/33/26/93/220332693.db2.gz TXKGIOQNULRVGG-QGZVFWFLSA-N 2 2 339.528 1.140 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000112466077 220332698 /nfs/dbraw/zinc/33/26/98/220332698.db2.gz TXKGIOQNULRVGG-QGZVFWFLSA-N 2 2 339.528 1.140 20 0 EDADLP O=C(C[N@@H+]1CCCN(c2[nH+]cnc3[nH]ccc32)CC1)N1CCCC1 ZINC000263806149 139361797 /nfs/dbraw/zinc/36/17/97/139361797.db2.gz SAHIFEKXKFCVMN-UHFFFAOYSA-N 2 2 328.420 1.092 20 0 EDADLP O=C(C[N@H+]1CCCN(c2[nH+]cnc3[nH]ccc32)CC1)N1CCCC1 ZINC000263806149 139361798 /nfs/dbraw/zinc/36/17/98/139361798.db2.gz SAHIFEKXKFCVMN-UHFFFAOYSA-N 2 2 328.420 1.092 20 0 EDADLP Cc1nc(N(CC[NH+](C)C)Cc2cccc(F)c2)nc(N(C)C)[nH+]1 ZINC000490095913 255078843 /nfs/dbraw/zinc/07/88/43/255078843.db2.gz QFUATFPWPDJLFU-UHFFFAOYSA-N 2 2 332.427 1.953 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000492541202 255178244 /nfs/dbraw/zinc/17/82/44/255178244.db2.gz WSINEPJTMWITKF-XITLMJRVSA-N 2 2 334.464 1.876 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N(CCCOC)C1CC[NH+](C)CC1 ZINC000493341023 255205353 /nfs/dbraw/zinc/20/53/53/255205353.db2.gz UMJROPFASRPGIG-SREVYHEPSA-N 2 2 334.464 1.876 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000493947612 255227767 /nfs/dbraw/zinc/22/77/67/255227767.db2.gz CLDVYMXTFRHBHD-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000493947612 255227768 /nfs/dbraw/zinc/22/77/68/255227768.db2.gz CLDVYMXTFRHBHD-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000495198018 255272746 /nfs/dbraw/zinc/27/27/46/255272746.db2.gz ZQUKSNFMGYNXIL-FQEVSTJZSA-N 2 2 345.487 1.486 20 0 EDADLP CC[C@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000495198018 255272747 /nfs/dbraw/zinc/27/27/47/255272747.db2.gz ZQUKSNFMGYNXIL-FQEVSTJZSA-N 2 2 345.487 1.486 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495376715 255282195 /nfs/dbraw/zinc/28/21/95/255282195.db2.gz GYSLDLUDBUYIKW-MAUKXSAKSA-N 2 2 340.512 1.469 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495376715 255282196 /nfs/dbraw/zinc/28/21/96/255282196.db2.gz GYSLDLUDBUYIKW-MAUKXSAKSA-N 2 2 340.512 1.469 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495417616 255283393 /nfs/dbraw/zinc/28/33/93/255283393.db2.gz BGABVHVELIXXIG-UHFFFAOYSA-N 2 2 329.485 1.537 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495417616 255283394 /nfs/dbraw/zinc/28/33/94/255283394.db2.gz BGABVHVELIXXIG-UHFFFAOYSA-N 2 2 329.485 1.537 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000494196989 255241754 /nfs/dbraw/zinc/24/17/54/255241754.db2.gz AWONIZCMVIXWLU-SJORKVTESA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000494196989 255241755 /nfs/dbraw/zinc/24/17/55/255241755.db2.gz AWONIZCMVIXWLU-SJORKVTESA-N 2 2 336.480 1.119 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CCO1 ZINC000494865787 255263470 /nfs/dbraw/zinc/26/34/70/255263470.db2.gz PNZVJLJMVYMKJW-HOCLYGCPSA-N 2 2 337.468 1.238 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CCO1 ZINC000494865787 255263471 /nfs/dbraw/zinc/26/34/71/255263471.db2.gz PNZVJLJMVYMKJW-HOCLYGCPSA-N 2 2 337.468 1.238 20 0 EDADLP [NH3+]CC[N@H+](CCO)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496067592 255348210 /nfs/dbraw/zinc/34/82/10/255348210.db2.gz NCCWIYXMEUHPII-UHFFFAOYSA-N 2 2 335.448 1.288 20 0 EDADLP [NH3+]CC[N@@H+](CCO)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496067592 255348211 /nfs/dbraw/zinc/34/82/11/255348211.db2.gz NCCWIYXMEUHPII-UHFFFAOYSA-N 2 2 335.448 1.288 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496313953 255379504 /nfs/dbraw/zinc/37/95/04/255379504.db2.gz SKFMYOOTMZPBSM-CQSZACIVSA-N 2 2 326.485 1.127 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496313953 255379505 /nfs/dbraw/zinc/37/95/05/255379505.db2.gz SKFMYOOTMZPBSM-CQSZACIVSA-N 2 2 326.485 1.127 20 0 EDADLP COCC[NH+]1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117767897 221087342 /nfs/dbraw/zinc/08/73/42/221087342.db2.gz OOEWMQGXZXHMQT-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP OCC1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOCC1 ZINC000119420859 221315597 /nfs/dbraw/zinc/31/55/97/221315597.db2.gz NGKRCJYWWULQGL-UHFFFAOYSA-N 2 2 340.387 1.412 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000264343303 139398797 /nfs/dbraw/zinc/39/87/97/139398797.db2.gz CWCWZMKVDNDTBO-MRXNPFEDSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000264343303 139398798 /nfs/dbraw/zinc/39/87/98/139398798.db2.gz CWCWZMKVDNDTBO-MRXNPFEDSA-N 2 2 345.487 1.348 20 0 EDADLP CN(CC[NH3+])C(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415883090 304284266 /nfs/dbraw/zinc/28/42/66/304284266.db2.gz ZJWWHPYVIFYKNG-UHFFFAOYSA-N 2 2 341.415 1.242 20 0 EDADLP Cc1c[nH]c(-c2ccccc2NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[nH+]1 ZINC000571166457 306559297 /nfs/dbraw/zinc/55/92/97/306559297.db2.gz GOWCFFKMXAALOB-CQSZACIVSA-N 2 2 327.388 1.192 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)C[C@@H](C)O1 ZINC000571316098 306562749 /nfs/dbraw/zinc/56/27/49/306562749.db2.gz RQXSMXRXEDVCME-LJZGOAPGSA-N 2 2 348.487 1.794 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000043179478 132413040 /nfs/dbraw/zinc/41/30/40/132413040.db2.gz SAAOMMOIMVWJDS-UHFFFAOYSA-N 2 2 331.464 1.786 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000571656590 306571411 /nfs/dbraw/zinc/57/14/11/306571411.db2.gz MBORXMZZYQWFGP-IRXDYDNUSA-N 2 2 332.448 1.111 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000571656587 306571376 /nfs/dbraw/zinc/57/13/76/306571376.db2.gz MBORXMZZYQWFGP-DLBZAZTESA-N 2 2 332.448 1.111 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269961778 140025150 /nfs/dbraw/zinc/02/51/50/140025150.db2.gz PXCSZMFXXUNEAC-AWEZNQCLSA-N 2 2 335.477 1.008 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1O ZINC000270887943 140190526 /nfs/dbraw/zinc/19/05/26/140190526.db2.gz KYFLVPOIQKUZTP-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1O ZINC000270887943 140190528 /nfs/dbraw/zinc/19/05/28/140190528.db2.gz KYFLVPOIQKUZTP-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP CCOc1cc(C)nc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)n1 ZINC000270913763 140197333 /nfs/dbraw/zinc/19/73/33/140197333.db2.gz UBIJZUBJULNRKU-UHFFFAOYSA-N 2 2 330.436 1.511 20 0 EDADLP COCC[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)[C@@H](C)C(N)=O ZINC000271174875 140251422 /nfs/dbraw/zinc/25/14/22/140251422.db2.gz SQNYJNXYYASOTR-INIZCTEOSA-N 2 2 335.492 1.967 20 0 EDADLP COCC[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)[C@@H](C)C(N)=O ZINC000271174875 140251423 /nfs/dbraw/zinc/25/14/23/140251423.db2.gz SQNYJNXYYASOTR-INIZCTEOSA-N 2 2 335.492 1.967 20 0 EDADLP COCC[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H](C)C(N)=O ZINC000271174875 140251425 /nfs/dbraw/zinc/25/14/25/140251425.db2.gz SQNYJNXYYASOTR-INIZCTEOSA-N 2 2 335.492 1.967 20 0 EDADLP COCC[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H](C)C(N)=O ZINC000271174875 140251427 /nfs/dbraw/zinc/25/14/27/140251427.db2.gz SQNYJNXYYASOTR-INIZCTEOSA-N 2 2 335.492 1.967 20 0 EDADLP C[C@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCN1c1nccn2cnnc12 ZINC000271320353 140277872 /nfs/dbraw/zinc/27/78/72/140277872.db2.gz SZINIEAFANWSIB-LSDHHAIUSA-N 2 2 329.452 1.119 20 0 EDADLP C[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCN1c1nccn2cnnc12 ZINC000271320353 140277873 /nfs/dbraw/zinc/27/78/73/140277873.db2.gz SZINIEAFANWSIB-LSDHHAIUSA-N 2 2 329.452 1.119 20 0 EDADLP C[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCN1c1nccn2cnnc12 ZINC000271320353 140277874 /nfs/dbraw/zinc/27/78/74/140277874.db2.gz SZINIEAFANWSIB-LSDHHAIUSA-N 2 2 329.452 1.119 20 0 EDADLP C[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCN1c1nccn2cnnc12 ZINC000271320353 140277876 /nfs/dbraw/zinc/27/78/76/140277876.db2.gz SZINIEAFANWSIB-LSDHHAIUSA-N 2 2 329.452 1.119 20 0 EDADLP c1c[nH+]c(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000271434315 140295339 /nfs/dbraw/zinc/29/53/39/140295339.db2.gz QNFOOZGGSILQFG-GOSISDBHSA-N 2 2 325.460 1.802 20 0 EDADLP c1c[nH+]c(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000271434315 140295340 /nfs/dbraw/zinc/29/53/40/140295340.db2.gz QNFOOZGGSILQFG-GOSISDBHSA-N 2 2 325.460 1.802 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000271703356 140336764 /nfs/dbraw/zinc/33/67/64/140336764.db2.gz NXFARABOWGGKSE-QGZVFWFLSA-N 2 2 333.432 1.791 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000271703356 140336765 /nfs/dbraw/zinc/33/67/65/140336765.db2.gz NXFARABOWGGKSE-QGZVFWFLSA-N 2 2 333.432 1.791 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@]2(O)CCc3ccccc32)CC1 ZINC000271841831 140359591 /nfs/dbraw/zinc/35/95/91/140359591.db2.gz TUJGKXQGLUCBAN-FQEVSTJZSA-N 2 2 346.471 1.828 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cccc(F)c2F)C[C@@H](C)O1 ZINC000572114105 306581567 /nfs/dbraw/zinc/58/15/67/306581567.db2.gz DGMQNLKZCIQLEJ-NFAWXSAZSA-N 2 2 328.403 1.567 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@@H](C)C[NH2+]1 ZINC000331608452 141056314 /nfs/dbraw/zinc/05/63/14/141056314.db2.gz RCEXCUNPIYXCDB-GJZGRUSLSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000331782464 141080340 /nfs/dbraw/zinc/08/03/40/141080340.db2.gz LQFFIDIAHULBBS-JKIFEVAISA-N 2 2 332.448 1.891 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000332155186 141132045 /nfs/dbraw/zinc/13/20/45/141132045.db2.gz IZVHNJBNYOPDKT-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000332443144 141182671 /nfs/dbraw/zinc/18/26/71/141182671.db2.gz BOGNEAUCMMUCJF-UHFFFAOYSA-N 2 2 348.495 1.134 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)ccc2[nH+]1 ZINC000332561031 141203439 /nfs/dbraw/zinc/20/34/39/141203439.db2.gz QOJFNRCTJUKQJK-STQMWFEESA-N 2 2 329.404 1.132 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)ccc2[nH+]1 ZINC000332561031 141203441 /nfs/dbraw/zinc/20/34/41/141203441.db2.gz QOJFNRCTJUKQJK-STQMWFEESA-N 2 2 329.404 1.132 20 0 EDADLP COCC[NH+]1CCC(NC(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000332613119 141215189 /nfs/dbraw/zinc/21/51/89/141215189.db2.gz MCTQKYQWXWRCKY-UHFFFAOYSA-N 2 2 330.432 1.722 20 0 EDADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+]1CCC(C)CC1 ZINC000333208371 141281433 /nfs/dbraw/zinc/28/14/33/141281433.db2.gz CGXBBYUGPTXNDO-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000333254341 141288244 /nfs/dbraw/zinc/28/82/44/141288244.db2.gz HNCFRSYYJXSPMP-IKGGRYGDSA-N 2 2 337.489 1.493 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000333365675 141306295 /nfs/dbraw/zinc/30/62/95/141306295.db2.gz LTVYWKGUNZNSAZ-UXLLHSPISA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@H]1[NH+]1CCOCC1 ZINC000333464764 141321440 /nfs/dbraw/zinc/32/14/40/141321440.db2.gz QKMRGOASXSGQBL-BZUAXINKSA-N 2 2 347.463 1.123 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@@H]21 ZINC000333723268 141366357 /nfs/dbraw/zinc/36/63/57/141366357.db2.gz VAHAJIPXPMPKRW-IRXDYDNUSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@@H]21 ZINC000333723268 141366359 /nfs/dbraw/zinc/36/63/59/141366359.db2.gz VAHAJIPXPMPKRW-IRXDYDNUSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000333737748 141369666 /nfs/dbraw/zinc/36/96/66/141369666.db2.gz XEBVSNZJJSIQAJ-UKRRQHHQSA-N 2 2 337.493 1.501 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000333737748 141369667 /nfs/dbraw/zinc/36/96/67/141369667.db2.gz XEBVSNZJJSIQAJ-UKRRQHHQSA-N 2 2 337.493 1.501 20 0 EDADLP Cc1cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)cn2cc[nH+]c12 ZINC000340127254 142274515 /nfs/dbraw/zinc/27/45/15/142274515.db2.gz XARYBFSRNQOYRC-UHFFFAOYSA-N 2 2 340.387 1.326 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340252310 142320248 /nfs/dbraw/zinc/32/02/48/142320248.db2.gz LOBRXDSNMFLOIY-MRXNPFEDSA-N 3 2 339.528 1.186 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340252310 142320250 /nfs/dbraw/zinc/32/02/50/142320250.db2.gz LOBRXDSNMFLOIY-MRXNPFEDSA-N 3 2 339.528 1.186 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)[N@H+](C)C1 ZINC000344727357 143003785 /nfs/dbraw/zinc/00/37/85/143003785.db2.gz BKLGFSOHUXKKLH-CABCVRRESA-N 2 2 331.420 1.826 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)[N@@H+](C)C1 ZINC000344727357 143003786 /nfs/dbraw/zinc/00/37/86/143003786.db2.gz BKLGFSOHUXKKLH-CABCVRRESA-N 2 2 331.420 1.826 20 0 EDADLP Cc1cncc(CCC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000344921963 143027196 /nfs/dbraw/zinc/02/71/96/143027196.db2.gz PPJWTAUUXKYEIZ-KRWDZBQOSA-N 2 2 344.503 1.950 20 0 EDADLP Cc1cncc(CCC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000344921963 143027197 /nfs/dbraw/zinc/02/71/97/143027197.db2.gz PPJWTAUUXKYEIZ-KRWDZBQOSA-N 2 2 344.503 1.950 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000345271063 143071873 /nfs/dbraw/zinc/07/18/73/143071873.db2.gz KDUXXMXMTUVEHW-BQFCYCMXSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000345271063 143071874 /nfs/dbraw/zinc/07/18/74/143071874.db2.gz KDUXXMXMTUVEHW-BQFCYCMXSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000345622790 143113453 /nfs/dbraw/zinc/11/34/53/143113453.db2.gz ATJOSHFPLCHLAT-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000345622790 143113454 /nfs/dbraw/zinc/11/34/54/143113454.db2.gz ATJOSHFPLCHLAT-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCC[N@@H+]1C ZINC000345742504 143127740 /nfs/dbraw/zinc/12/77/40/143127740.db2.gz JBCLXNTZGWWUAR-BZUAXINKSA-N 2 2 333.480 1.867 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCC[N@H+]1C ZINC000345742504 143127741 /nfs/dbraw/zinc/12/77/41/143127741.db2.gz JBCLXNTZGWWUAR-BZUAXINKSA-N 2 2 333.480 1.867 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000345887977 143143587 /nfs/dbraw/zinc/14/35/87/143143587.db2.gz VLRJIGFGLVEHGK-UHFFFAOYSA-N 2 2 340.512 1.023 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000345887977 143143588 /nfs/dbraw/zinc/14/35/88/143143588.db2.gz VLRJIGFGLVEHGK-UHFFFAOYSA-N 2 2 340.512 1.023 20 0 EDADLP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000346296195 143188296 /nfs/dbraw/zinc/18/82/96/143188296.db2.gz VVFAFFGMRQUXQS-OLZOCXBDSA-N 2 2 337.386 1.240 20 0 EDADLP O=C(C[N@H+]1C[C@@H](F)C[C@@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000346385498 143199442 /nfs/dbraw/zinc/19/94/42/143199442.db2.gz WUASLPWKNANTGI-ZWKOTPCHSA-N 2 2 349.450 1.303 20 0 EDADLP O=C(C[N@@H+]1C[C@@H](F)C[C@@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000346385498 143199443 /nfs/dbraw/zinc/19/94/43/143199443.db2.gz WUASLPWKNANTGI-ZWKOTPCHSA-N 2 2 349.450 1.303 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000346422736 143203250 /nfs/dbraw/zinc/20/32/50/143203250.db2.gz RKZIALMNFBWDAD-NVXWUHKLSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000346422736 143203251 /nfs/dbraw/zinc/20/32/51/143203251.db2.gz RKZIALMNFBWDAD-NVXWUHKLSA-N 2 2 346.475 1.069 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(=O)[nH]1 ZINC000346791622 143246228 /nfs/dbraw/zinc/24/62/28/143246228.db2.gz JOCSVNIAOMLQIZ-CXAGYDPISA-N 2 2 327.432 1.886 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@](C)(F)C3)CC2)CC1 ZINC000347013095 143271478 /nfs/dbraw/zinc/27/14/78/143271478.db2.gz MMRVPKGEUFIBNP-QGZVFWFLSA-N 2 2 326.460 1.689 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347076090 143279594 /nfs/dbraw/zinc/27/95/94/143279594.db2.gz MMJRQHYCJPCUES-QGZVFWFLSA-N 2 2 348.878 1.795 20 0 EDADLP [NH3+]CC(=O)NCC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000347676406 143348522 /nfs/dbraw/zinc/34/85/22/143348522.db2.gz VARLRXDVVRCBFY-UHFFFAOYSA-N 2 2 329.404 1.624 20 0 EDADLP CO[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000369851561 286008538 /nfs/dbraw/zinc/00/85/38/286008538.db2.gz MTIMMXDFWGRXTP-GDBMZVCRSA-N 2 2 326.485 1.125 20 0 EDADLP CO[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000369851561 286008539 /nfs/dbraw/zinc/00/85/39/286008539.db2.gz MTIMMXDFWGRXTP-GDBMZVCRSA-N 2 2 326.485 1.125 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416822009 304350196 /nfs/dbraw/zinc/35/01/96/304350196.db2.gz MGDZZOXIQVJZKL-AWEZNQCLSA-N 2 2 340.493 1.420 20 0 EDADLP CO[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000369851361 155202628 /nfs/dbraw/zinc/20/26/28/155202628.db2.gz LXAGONLQNCDAIP-GDBMZVCRSA-N 2 2 340.512 1.515 20 0 EDADLP CO[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000369851361 155202629 /nfs/dbraw/zinc/20/26/29/155202629.db2.gz LXAGONLQNCDAIP-GDBMZVCRSA-N 2 2 340.512 1.515 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369881778 155216430 /nfs/dbraw/zinc/21/64/30/155216430.db2.gz FDJWLJSGRIEPOH-AWEZNQCLSA-N 2 2 336.480 1.723 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369881778 155216437 /nfs/dbraw/zinc/21/64/37/155216437.db2.gz FDJWLJSGRIEPOH-AWEZNQCLSA-N 2 2 336.480 1.723 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000369883308 155218537 /nfs/dbraw/zinc/21/85/37/155218537.db2.gz JTYMVABPNDHNPX-HNNXBMFYSA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[N@@H+]1C ZINC000352752015 149149588 /nfs/dbraw/zinc/14/95/88/149149588.db2.gz IFLODQWVQDLNAW-UKRRQHHQSA-N 2 2 328.420 1.931 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[N@H+]1C ZINC000352752015 149149591 /nfs/dbraw/zinc/14/95/91/149149591.db2.gz IFLODQWVQDLNAW-UKRRQHHQSA-N 2 2 328.420 1.931 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(C)(C)n2cncn2)nc[nH+]1 ZINC000353251114 149340304 /nfs/dbraw/zinc/34/03/04/149340304.db2.gz HGLKZOMBSSEPKS-KBPBESRZSA-N 2 2 344.467 1.492 20 0 EDADLP COC[C@]1(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[NH2+]1 ZINC000416973431 304358724 /nfs/dbraw/zinc/35/87/24/304358724.db2.gz IXCJYKWJKGWPPH-GOSISDBHSA-N 2 2 347.463 1.250 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000416975042 304358906 /nfs/dbraw/zinc/35/89/06/304358906.db2.gz NIJLAWMHDIHMPS-GOEBONIOSA-N 2 2 347.463 1.330 20 0 EDADLP [NH3+][C@H]1CCC[C@H](CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000416975348 304358999 /nfs/dbraw/zinc/35/89/99/304358999.db2.gz NVVHCFXJNLFLKQ-HOCLYGCPSA-N 2 2 331.464 1.999 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369956241 155252130 /nfs/dbraw/zinc/25/21/30/155252130.db2.gz AAMLIDIXIPGDTG-LTIDMASMSA-N 2 2 341.496 1.007 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369956241 155252133 /nfs/dbraw/zinc/25/21/33/155252133.db2.gz AAMLIDIXIPGDTG-LTIDMASMSA-N 2 2 341.496 1.007 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000354861706 150000036 /nfs/dbraw/zinc/00/00/36/150000036.db2.gz QSCVNDQLIRHLHK-DZGCQCFKSA-N 2 2 333.411 1.526 20 0 EDADLP COCC(C)(C)C[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354912174 150027280 /nfs/dbraw/zinc/02/72/80/150027280.db2.gz BETWWPDTEBCYGA-LSDHHAIUSA-N 2 2 326.460 1.937 20 0 EDADLP COCC(C)(C)C[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354912174 150027282 /nfs/dbraw/zinc/02/72/82/150027282.db2.gz BETWWPDTEBCYGA-LSDHHAIUSA-N 2 2 326.460 1.937 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354947334 150049131 /nfs/dbraw/zinc/04/91/31/150049131.db2.gz MJUQZWABXJAGCM-BEFAXECRSA-N 2 2 327.472 1.953 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354947334 150049135 /nfs/dbraw/zinc/04/91/35/150049135.db2.gz MJUQZWABXJAGCM-BEFAXECRSA-N 2 2 327.472 1.953 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355057171 150095680 /nfs/dbraw/zinc/09/56/80/150095680.db2.gz RRQBGZFZJCCJCC-JKSUJKDBSA-N 2 2 336.524 1.534 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355057171 150095684 /nfs/dbraw/zinc/09/56/84/150095684.db2.gz RRQBGZFZJCCJCC-JKSUJKDBSA-N 2 2 336.524 1.534 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000355162975 150148651 /nfs/dbraw/zinc/14/86/51/150148651.db2.gz LTXCXEVDBVELFP-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000355162975 150148654 /nfs/dbraw/zinc/14/86/54/150148654.db2.gz LTXCXEVDBVELFP-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000355162975 150148659 /nfs/dbraw/zinc/14/86/59/150148659.db2.gz LTXCXEVDBVELFP-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000355162975 150148662 /nfs/dbraw/zinc/14/86/62/150148662.db2.gz LTXCXEVDBVELFP-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1[NH+](C)C ZINC000355284599 150198862 /nfs/dbraw/zinc/19/88/62/150198862.db2.gz MVBQFPHRBSTSJA-HRCADAONSA-N 2 2 341.521 1.134 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1[NH+](C)C ZINC000355284599 150198864 /nfs/dbraw/zinc/19/88/64/150198864.db2.gz MVBQFPHRBSTSJA-HRCADAONSA-N 2 2 341.521 1.134 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC[N@@H+]1C[C@H](C)O ZINC000355500023 150293623 /nfs/dbraw/zinc/29/36/23/150293623.db2.gz BIPQAQNIKKCQEI-CWRNSKLLSA-N 2 2 334.464 1.058 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC[N@H+]1C[C@H](C)O ZINC000355500023 150293627 /nfs/dbraw/zinc/29/36/27/150293627.db2.gz BIPQAQNIKKCQEI-CWRNSKLLSA-N 2 2 334.464 1.058 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417038465 304364481 /nfs/dbraw/zinc/36/44/81/304364481.db2.gz NKJTXTFOVVGCRU-NUJGCVRESA-N 2 2 346.475 1.439 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000357351523 151005050 /nfs/dbraw/zinc/00/50/50/151005050.db2.gz JZVGLJLPRJLZKE-OAHLLOKOSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000357351523 151005051 /nfs/dbraw/zinc/00/50/51/151005051.db2.gz JZVGLJLPRJLZKE-OAHLLOKOSA-N 2 2 347.450 1.437 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357467911 151040793 /nfs/dbraw/zinc/04/07/93/151040793.db2.gz BPVFZTRPUNRDOB-BRWVUGGUSA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357467911 151040795 /nfs/dbraw/zinc/04/07/95/151040795.db2.gz BPVFZTRPUNRDOB-BRWVUGGUSA-N 2 2 341.496 1.055 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000357566447 151069240 /nfs/dbraw/zinc/06/92/40/151069240.db2.gz GHZFZGCSSGZDAM-ZHALLVOQSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000357566447 151069242 /nfs/dbraw/zinc/06/92/42/151069242.db2.gz GHZFZGCSSGZDAM-ZHALLVOQSA-N 2 2 345.487 1.595 20 0 EDADLP CC[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H](C)O ZINC000357627277 151090514 /nfs/dbraw/zinc/09/05/14/151090514.db2.gz AIUUENHBVZGKQD-CVEARBPZSA-N 2 2 325.497 1.460 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000357637834 151095270 /nfs/dbraw/zinc/09/52/70/151095270.db2.gz QAROUKCESWIDNL-AEFFLSMTSA-N 2 2 336.476 1.512 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000357637834 151095271 /nfs/dbraw/zinc/09/52/71/151095271.db2.gz QAROUKCESWIDNL-AEFFLSMTSA-N 2 2 336.476 1.512 20 0 EDADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357648478 151100178 /nfs/dbraw/zinc/10/01/78/151100178.db2.gz MDZRRKCPQOHXPM-INIZCTEOSA-N 2 2 327.513 1.706 20 0 EDADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357648478 151100181 /nfs/dbraw/zinc/10/01/81/151100181.db2.gz MDZRRKCPQOHXPM-INIZCTEOSA-N 2 2 327.513 1.706 20 0 EDADLP [NH3+]CCCOC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000417072090 304369637 /nfs/dbraw/zinc/36/96/37/304369637.db2.gz HGFDFZJPAVTBDL-UHFFFAOYSA-N 2 2 335.452 1.423 20 0 EDADLP Cc1cc(C[N@H+]2C[C@H](F)C[C@@H]2CN(C)c2cc[nH+]c(N(C)C)n2)on1 ZINC000357711269 151122158 /nfs/dbraw/zinc/12/21/58/151122158.db2.gz YPVVELFRGBUKQQ-ZIAGYGMSSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@H](F)C[C@@H]2CN(C)c2cc[nH+]c(N(C)C)n2)on1 ZINC000357711269 151122161 /nfs/dbraw/zinc/12/21/61/151122161.db2.gz YPVVELFRGBUKQQ-ZIAGYGMSSA-N 2 2 348.426 1.888 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](CCO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000357841772 151170153 /nfs/dbraw/zinc/17/01/53/151170153.db2.gz SBFGQAPCSKMNDS-HNNXBMFYSA-N 2 2 337.489 1.097 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](CCO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000357841772 151170157 /nfs/dbraw/zinc/17/01/57/151170157.db2.gz SBFGQAPCSKMNDS-HNNXBMFYSA-N 2 2 337.489 1.097 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000358105760 151272514 /nfs/dbraw/zinc/27/25/14/151272514.db2.gz YJRQGIZMJRRALL-KBPBESRZSA-N 2 2 349.479 1.194 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000358161215 151291753 /nfs/dbraw/zinc/29/17/53/151291753.db2.gz DWAQAJRDNCJNFU-HNNXBMFYSA-N 2 2 330.331 1.173 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000358161215 151291754 /nfs/dbraw/zinc/29/17/54/151291754.db2.gz DWAQAJRDNCJNFU-HNNXBMFYSA-N 2 2 330.331 1.173 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000370056269 155305412 /nfs/dbraw/zinc/30/54/12/155305412.db2.gz DXPGVLACERWCGP-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000370056269 155305414 /nfs/dbraw/zinc/30/54/14/155305414.db2.gz DXPGVLACERWCGP-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP Cn1cc([C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2CO)cn1 ZINC000358467605 151387061 /nfs/dbraw/zinc/38/70/61/151387061.db2.gz PMTFNVUOPUEJAG-PKOBYXMFSA-N 2 2 337.427 1.814 20 0 EDADLP Cn1cc([C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2CO)cn1 ZINC000358467605 151387062 /nfs/dbraw/zinc/38/70/62/151387062.db2.gz PMTFNVUOPUEJAG-PKOBYXMFSA-N 2 2 337.427 1.814 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccncn1 ZINC000358758262 151486895 /nfs/dbraw/zinc/48/68/95/151486895.db2.gz ROFOWARBGQNLFB-LPHOPBHVSA-N 2 2 325.460 1.792 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000360344664 152001011 /nfs/dbraw/zinc/00/10/11/152001011.db2.gz OGTOGPXLUPNWAA-AEFFLSMTSA-N 2 2 330.476 1.499 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000360344664 152001013 /nfs/dbraw/zinc/00/10/13/152001013.db2.gz OGTOGPXLUPNWAA-AEFFLSMTSA-N 2 2 330.476 1.499 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360573110 152103348 /nfs/dbraw/zinc/10/33/48/152103348.db2.gz ZTGUEWDGZBBBSD-SJKOYZFVSA-N 2 2 334.395 1.548 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360573110 152103351 /nfs/dbraw/zinc/10/33/51/152103351.db2.gz ZTGUEWDGZBBBSD-SJKOYZFVSA-N 2 2 334.395 1.548 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000360966406 152265809 /nfs/dbraw/zinc/26/58/09/152265809.db2.gz NVCYZCGJLHBSCT-WMZOPIPTSA-N 2 2 340.464 1.332 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000370141325 155344608 /nfs/dbraw/zinc/34/46/08/155344608.db2.gz GGDONHGLGZAYOG-HUUCEWRRSA-N 2 2 335.452 1.123 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000370141325 155344611 /nfs/dbraw/zinc/34/46/11/155344611.db2.gz GGDONHGLGZAYOG-HUUCEWRRSA-N 2 2 335.452 1.123 20 0 EDADLP CNC(=O)Cc1noc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000361071687 152295207 /nfs/dbraw/zinc/29/52/07/152295207.db2.gz BXTMKQJKGLUUJR-UHFFFAOYSA-N 2 2 346.435 1.247 20 0 EDADLP CCNC(=O)C1(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CCC1 ZINC000361115776 152309471 /nfs/dbraw/zinc/30/94/71/152309471.db2.gz AKXRRXIYXYJFGK-UHFFFAOYSA-N 2 2 339.480 1.300 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000361170341 152326080 /nfs/dbraw/zinc/32/60/80/152326080.db2.gz PIYNXBFJLVPFCM-HNNXBMFYSA-N 2 2 331.464 1.793 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364349027 153212670 /nfs/dbraw/zinc/21/26/70/153212670.db2.gz VVZZAGALAAWZCW-YYIAUSFCSA-N 2 2 325.497 1.626 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364349027 153212673 /nfs/dbraw/zinc/21/26/73/153212673.db2.gz VVZZAGALAAWZCW-YYIAUSFCSA-N 2 2 325.497 1.626 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364349025 153213290 /nfs/dbraw/zinc/21/32/90/153213290.db2.gz VVZZAGALAAWZCW-LUKYLMHMSA-N 2 2 325.497 1.626 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364349025 153213292 /nfs/dbraw/zinc/21/32/92/153213292.db2.gz VVZZAGALAAWZCW-LUKYLMHMSA-N 2 2 325.497 1.626 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364594056 153281210 /nfs/dbraw/zinc/28/12/10/153281210.db2.gz ZFOXYIHOXQBFAM-UHFFFAOYSA-N 2 2 344.459 1.650 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364594056 153281214 /nfs/dbraw/zinc/28/12/14/153281214.db2.gz ZFOXYIHOXQBFAM-UHFFFAOYSA-N 2 2 344.459 1.650 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000364669472 153299060 /nfs/dbraw/zinc/29/90/60/153299060.db2.gz DPILKMOCVLVPBK-AEFFLSMTSA-N 2 2 346.475 1.225 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000364669472 153299063 /nfs/dbraw/zinc/29/90/63/153299063.db2.gz DPILKMOCVLVPBK-AEFFLSMTSA-N 2 2 346.475 1.225 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000364722472 153313844 /nfs/dbraw/zinc/31/38/44/153313844.db2.gz FYNXBYIYPVKMQT-IDHHARJASA-N 2 2 346.475 1.922 20 0 EDADLP Cc1cccn2cc(CNC(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)[nH+]c12 ZINC000364726641 153315322 /nfs/dbraw/zinc/31/53/22/153315322.db2.gz ZMFYUUHNRKJDCW-YZVOILCLSA-N 2 2 342.443 1.791 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000367898788 154318035 /nfs/dbraw/zinc/31/80/35/154318035.db2.gz AVMRWZJLVWYSAB-UONOGXRCSA-N 2 2 336.480 1.101 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000367902566 154318554 /nfs/dbraw/zinc/31/85/54/154318554.db2.gz STZMERJYJNMHFF-INIZCTEOSA-N 2 2 335.452 1.088 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000417354273 304394300 /nfs/dbraw/zinc/39/43/00/304394300.db2.gz LRRASANZUXQYQM-CYBMUJFWSA-N 2 2 333.432 1.874 20 0 EDADLP CN(CCc1ccncc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372899 155000999 /nfs/dbraw/zinc/00/09/99/155000999.db2.gz MWGAUYGAYMKHTN-QGZVFWFLSA-N 2 2 345.491 1.434 20 0 EDADLP CN(CCc1ccncc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372899 155001002 /nfs/dbraw/zinc/00/10/02/155001002.db2.gz MWGAUYGAYMKHTN-QGZVFWFLSA-N 2 2 345.491 1.434 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369499613 155060633 /nfs/dbraw/zinc/06/06/33/155060633.db2.gz HIRFAXWJOIUIEK-SJORKVTESA-N 2 2 326.444 1.735 20 0 EDADLP CC[N@H+](CCNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)C1CC1 ZINC000371714692 156074582 /nfs/dbraw/zinc/07/45/82/156074582.db2.gz VEEJDGRZGACHIS-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)C1CC1 ZINC000371714692 156074583 /nfs/dbraw/zinc/07/45/83/156074583.db2.gz VEEJDGRZGACHIS-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@H+](CCNC(=O)N1CCC[NH+](Cc2nccn2C)CC1)C1CC1 ZINC000371714692 156074586 /nfs/dbraw/zinc/07/45/86/156074586.db2.gz VEEJDGRZGACHIS-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CCC[NH+](Cc2nccn2C)CC1)C1CC1 ZINC000371714692 156074588 /nfs/dbraw/zinc/07/45/88/156074588.db2.gz VEEJDGRZGACHIS-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP CC[NH+](CCNC(=O)N1CCC[N@H+](Cc2nccn2C)CC1)C1CC1 ZINC000371714692 156074590 /nfs/dbraw/zinc/07/45/90/156074590.db2.gz VEEJDGRZGACHIS-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP CC[NH+](CCNC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1)C1CC1 ZINC000371714692 156074591 /nfs/dbraw/zinc/07/45/91/156074591.db2.gz VEEJDGRZGACHIS-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP C[NH+](C)C(C)(C)C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000371986385 156196834 /nfs/dbraw/zinc/19/68/34/156196834.db2.gz ZKYJWHOUFVMWCM-UHFFFAOYSA-N 2 2 345.534 1.831 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C)[nH+]cc2C)CC1=O ZINC000372164943 156250611 /nfs/dbraw/zinc/25/06/11/156250611.db2.gz NZNQHVQFIYEZCI-JKSUJKDBSA-N 2 2 344.459 1.392 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)on2)cn1 ZINC000372190712 156263920 /nfs/dbraw/zinc/26/39/20/156263920.db2.gz GXMXLYOVLHFSKW-JLSDUUJJSA-N 2 2 345.447 1.759 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)on2)cn1 ZINC000372190712 156263924 /nfs/dbraw/zinc/26/39/24/156263924.db2.gz GXMXLYOVLHFSKW-JLSDUUJJSA-N 2 2 345.447 1.759 20 0 EDADLP NC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000373896049 157052626 /nfs/dbraw/zinc/05/26/26/157052626.db2.gz ZYEOKMUFUSKDHA-AWEZNQCLSA-N 2 2 341.415 1.418 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nnc3n2CCOC3)[nH+]1 ZINC000373901795 157056812 /nfs/dbraw/zinc/05/68/12/157056812.db2.gz DAWYTHFISOAODB-AWEZNQCLSA-N 2 2 328.420 1.588 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nnc3n2CCOC3)[nH+]1 ZINC000373901795 157056814 /nfs/dbraw/zinc/05/68/14/157056814.db2.gz DAWYTHFISOAODB-AWEZNQCLSA-N 2 2 328.420 1.588 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373931854 157071840 /nfs/dbraw/zinc/07/18/40/157071840.db2.gz DQYCZJSBZXKAKB-IRXDYDNUSA-N 2 2 343.475 1.976 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373931854 157071843 /nfs/dbraw/zinc/07/18/43/157071843.db2.gz DQYCZJSBZXKAKB-IRXDYDNUSA-N 2 2 343.475 1.976 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2COc3ccccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374256099 157216086 /nfs/dbraw/zinc/21/60/86/157216086.db2.gz UVWPVBOYCHNEBC-YJBOKZPZSA-N 2 2 343.471 1.790 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2COc3ccccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374256099 157216088 /nfs/dbraw/zinc/21/60/88/157216088.db2.gz UVWPVBOYCHNEBC-YJBOKZPZSA-N 2 2 343.471 1.790 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374422045 157285457 /nfs/dbraw/zinc/28/54/57/157285457.db2.gz QPVYOARUYKZVLY-BRWVUGGUSA-N 2 2 325.497 1.866 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374422045 157285460 /nfs/dbraw/zinc/28/54/60/157285460.db2.gz QPVYOARUYKZVLY-BRWVUGGUSA-N 2 2 325.497 1.866 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H]2CCCCN12 ZINC000374504980 157311259 /nfs/dbraw/zinc/31/12/59/157311259.db2.gz MQPUDDGIRZYQPN-ZWKOTPCHSA-N 2 2 328.460 1.789 20 0 EDADLP CC(C)CC(=O)N1CCC(C[N@@H+]2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000374780589 157398585 /nfs/dbraw/zinc/39/85/85/157398585.db2.gz REDSPUZBJDTPGP-QGZVFWFLSA-N 2 2 325.497 1.534 20 0 EDADLP CC(C)CC(=O)N1CCC(C[N@H+]2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000374780589 157398587 /nfs/dbraw/zinc/39/85/87/157398587.db2.gz REDSPUZBJDTPGP-QGZVFWFLSA-N 2 2 325.497 1.534 20 0 EDADLP COc1cccc(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000378370297 158155924 /nfs/dbraw/zinc/15/59/24/158155924.db2.gz MLLGOSBWRPPKOJ-INIZCTEOSA-N 2 2 345.487 1.865 20 0 EDADLP COc1cccc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000378370297 158155926 /nfs/dbraw/zinc/15/59/26/158155926.db2.gz MLLGOSBWRPPKOJ-INIZCTEOSA-N 2 2 345.487 1.865 20 0 EDADLP O=C(COc1ccccc1)N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000378442846 158175223 /nfs/dbraw/zinc/17/52/23/158175223.db2.gz GLABZVIHUKBEPD-UHFFFAOYSA-N 2 2 342.443 1.887 20 0 EDADLP O=C(COc1ccccc1)N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000378442846 158175225 /nfs/dbraw/zinc/17/52/25/158175225.db2.gz GLABZVIHUKBEPD-UHFFFAOYSA-N 2 2 342.443 1.887 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000378485375 158187616 /nfs/dbraw/zinc/18/76/16/158187616.db2.gz ZZPXFXJXZUHRJT-GJZGRUSLSA-N 2 2 333.432 1.911 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000378485375 158187618 /nfs/dbraw/zinc/18/76/18/158187618.db2.gz ZZPXFXJXZUHRJT-GJZGRUSLSA-N 2 2 333.432 1.911 20 0 EDADLP Cc1cc(=O)[nH]c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000408037574 158246748 /nfs/dbraw/zinc/24/67/48/158246748.db2.gz FMRLHGGQSFNOLG-AWEZNQCLSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1cc(=O)[nH]c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000408037574 158246750 /nfs/dbraw/zinc/24/67/50/158246750.db2.gz FMRLHGGQSFNOLG-AWEZNQCLSA-N 2 2 332.448 1.336 20 0 EDADLP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352331316 162122389 /nfs/dbraw/zinc/12/23/89/162122389.db2.gz QAVHUHDSPMXRRO-CVEARBPZSA-N 2 2 332.510 1.433 20 0 EDADLP CC(C)[C@H](CO)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000352424784 162174666 /nfs/dbraw/zinc/17/46/66/162174666.db2.gz HTMPCMRQVRMYGS-HNNXBMFYSA-N 2 2 340.512 1.109 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352504431 162217571 /nfs/dbraw/zinc/21/75/71/162217571.db2.gz QMDTXSHRILJUSM-MRXNPFEDSA-N 2 2 346.475 1.507 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352504431 162217575 /nfs/dbraw/zinc/21/75/75/162217575.db2.gz QMDTXSHRILJUSM-MRXNPFEDSA-N 2 2 346.475 1.507 20 0 EDADLP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352504719 162217995 /nfs/dbraw/zinc/21/79/95/162217995.db2.gz UDNNQEJZPUXJNS-QAPCUYQASA-N 2 2 330.476 1.556 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352526385 162230493 /nfs/dbraw/zinc/23/04/93/162230493.db2.gz NCNMGUDQHGTAAI-BBRMVZONSA-N 2 2 336.867 1.647 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)N1CC[NH+](C)CC1 ZINC000360927979 162299490 /nfs/dbraw/zinc/29/94/90/162299490.db2.gz IWFGOLLRGIVOAA-IRXDYDNUSA-N 2 2 345.491 1.050 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000365182687 162353216 /nfs/dbraw/zinc/35/32/16/162353216.db2.gz HQOCJPVIIQEYGL-CABCVRRESA-N 2 2 333.436 1.046 20 0 EDADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366121314 162369654 /nfs/dbraw/zinc/36/96/54/162369654.db2.gz CWGRCWYGRFSSGP-LJQANCHMSA-N 2 2 343.471 1.829 20 0 EDADLP CCCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000070947642 287253087 /nfs/dbraw/zinc/25/30/87/287253087.db2.gz RVKFXSWXUPMXLJ-UHFFFAOYSA-N 2 2 347.503 1.734 20 0 EDADLP CCCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000070947642 287253088 /nfs/dbraw/zinc/25/30/88/287253088.db2.gz RVKFXSWXUPMXLJ-UHFFFAOYSA-N 2 2 347.503 1.734 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000073666746 287262680 /nfs/dbraw/zinc/26/26/80/287262680.db2.gz UGRXNZSOLNRKAI-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP [NH3+]CCNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000418309167 304478201 /nfs/dbraw/zinc/47/82/01/304478201.db2.gz VVKNVZHQEWAGRM-UHFFFAOYSA-N 2 2 345.274 1.822 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)CC1 ZINC000121660666 287373166 /nfs/dbraw/zinc/37/31/66/287373166.db2.gz RQTZDRDTHLAPCB-FQEVSTJZSA-N 2 2 345.487 1.835 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@](C)(c3ccccc3)C2)CC1 ZINC000121660666 287373168 /nfs/dbraw/zinc/37/31/68/287373168.db2.gz RQTZDRDTHLAPCB-FQEVSTJZSA-N 2 2 345.487 1.835 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418465505 304498737 /nfs/dbraw/zinc/49/87/37/304498737.db2.gz NHZGSQZLABHOPN-CABCVRRESA-N 2 2 349.479 1.828 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H]1CCCC[NH2+]1)CC2 ZINC000237409811 273009912 /nfs/dbraw/zinc/00/99/12/273009912.db2.gz HKAPMFNTBHHHFP-MRXNPFEDSA-N 2 2 347.459 1.320 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cnccn1 ZINC000268804366 273022236 /nfs/dbraw/zinc/02/22/36/273022236.db2.gz ISJNSHOESOELRA-OAHLLOKOSA-N 2 2 339.443 1.715 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000274462290 268143305 /nfs/dbraw/zinc/14/33/05/268143305.db2.gz KCJSMPMDECDHDL-MSOLQXFVSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000274462290 268143306 /nfs/dbraw/zinc/14/33/06/268143306.db2.gz KCJSMPMDECDHDL-MSOLQXFVSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000274462290 268143308 /nfs/dbraw/zinc/14/33/08/268143308.db2.gz KCJSMPMDECDHDL-MSOLQXFVSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000274462290 268143309 /nfs/dbraw/zinc/14/33/09/268143309.db2.gz KCJSMPMDECDHDL-MSOLQXFVSA-N 2 2 346.519 1.649 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000274580370 268162814 /nfs/dbraw/zinc/16/28/14/268162814.db2.gz FDHYOXIZHBOQFG-SWLSCSKDSA-N 2 2 347.488 1.916 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000275018385 268265221 /nfs/dbraw/zinc/26/52/21/268265221.db2.gz SAKSBOJILKSFOY-UHFFFAOYSA-N 2 2 346.382 1.884 20 0 EDADLP O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3c[nH+]c4ccc(Cl)cn34)C2)N1 ZINC000279379517 268826599 /nfs/dbraw/zinc/82/65/99/268826599.db2.gz IUGGIDBXSLJNSJ-HNNXBMFYSA-N 2 2 333.779 1.162 20 0 EDADLP O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3c[nH+]c4ccc(Cl)cn34)C2)N1 ZINC000279379517 268826603 /nfs/dbraw/zinc/82/66/03/268826603.db2.gz IUGGIDBXSLJNSJ-HNNXBMFYSA-N 2 2 333.779 1.162 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000274206637 273077878 /nfs/dbraw/zinc/07/78/78/273077878.db2.gz OGUWCBDUPIYYDO-IBGZPJMESA-N 2 2 349.475 1.334 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000274206637 273077879 /nfs/dbraw/zinc/07/78/79/273077879.db2.gz OGUWCBDUPIYYDO-IBGZPJMESA-N 2 2 349.475 1.334 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cn[nH]c1 ZINC000275155012 273103909 /nfs/dbraw/zinc/10/39/09/273103909.db2.gz HMSAPGAFSNITFG-ZDUSSCGKSA-N 2 2 333.461 1.466 20 0 EDADLP Cn1nncc1C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275655687 273116671 /nfs/dbraw/zinc/11/66/71/273116671.db2.gz KWKMFUKVJSUABE-CQSZACIVSA-N 2 2 332.477 1.758 20 0 EDADLP Cn1nncc1C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275655687 273116673 /nfs/dbraw/zinc/11/66/73/273116673.db2.gz KWKMFUKVJSUABE-CQSZACIVSA-N 2 2 332.477 1.758 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275665995 273117478 /nfs/dbraw/zinc/11/74/78/273117478.db2.gz YGKCNQYLVCWCDC-UHFFFAOYSA-N 3 2 348.882 1.770 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1cccnc1)[C@H]1CC12CC[NH2+]CC2 ZINC000275771203 273127246 /nfs/dbraw/zinc/12/72/46/273127246.db2.gz SGPZNFVEOMSSDW-HNNXBMFYSA-N 2 2 325.416 1.600 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)[NH+](CC)CC ZINC000275909592 273133013 /nfs/dbraw/zinc/13/30/13/273133013.db2.gz JCMYFPAQLNESFS-CVEARBPZSA-N 2 2 333.480 1.630 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)[NH+](CC)CC ZINC000275909592 273133015 /nfs/dbraw/zinc/13/30/15/273133015.db2.gz JCMYFPAQLNESFS-CVEARBPZSA-N 2 2 333.480 1.630 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000276140481 273152160 /nfs/dbraw/zinc/15/21/60/273152160.db2.gz BBKYEPVGAWKAGB-UHFFFAOYSA-N 2 2 333.476 1.933 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000279149641 273283883 /nfs/dbraw/zinc/28/38/83/273283883.db2.gz FDYCXAKBMQZWGB-AWEZNQCLSA-N 2 2 342.443 1.798 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000279149641 273283884 /nfs/dbraw/zinc/28/38/84/273283884.db2.gz FDYCXAKBMQZWGB-AWEZNQCLSA-N 2 2 342.443 1.798 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000279149641 273283886 /nfs/dbraw/zinc/28/38/86/273283886.db2.gz FDYCXAKBMQZWGB-AWEZNQCLSA-N 2 2 342.443 1.798 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000279149641 273283888 /nfs/dbraw/zinc/28/38/88/273283888.db2.gz FDYCXAKBMQZWGB-AWEZNQCLSA-N 2 2 342.443 1.798 20 0 EDADLP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000279545716 273305981 /nfs/dbraw/zinc/30/59/81/273305981.db2.gz AFKLWUYZEFSLCJ-KBPBESRZSA-N 2 2 333.411 1.531 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000280774574 273396736 /nfs/dbraw/zinc/39/67/36/273396736.db2.gz SEPNZWKCUMQJPM-OAHLLOKOSA-N 2 2 332.448 1.475 20 0 EDADLP COc1ncc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1Cl ZINC000284259209 274136528 /nfs/dbraw/zinc/13/65/28/274136528.db2.gz IWFFPKQMRZKBTK-SMDDNHRTSA-N 2 2 340.855 1.734 20 0 EDADLP COc1ncc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1Cl ZINC000284259209 274136530 /nfs/dbraw/zinc/13/65/30/274136530.db2.gz IWFFPKQMRZKBTK-SMDDNHRTSA-N 2 2 340.855 1.734 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000284381786 274182410 /nfs/dbraw/zinc/18/24/10/274182410.db2.gz HVIFJFLNAVMEJS-OAHLLOKOSA-N 2 2 349.479 1.007 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000284381786 274182413 /nfs/dbraw/zinc/18/24/13/274182413.db2.gz HVIFJFLNAVMEJS-OAHLLOKOSA-N 2 2 349.479 1.007 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284527125 274234216 /nfs/dbraw/zinc/23/42/16/274234216.db2.gz OVEUIUWIDRUOON-FUHWJXTLSA-N 2 2 347.459 1.172 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284527125 274234218 /nfs/dbraw/zinc/23/42/18/274234218.db2.gz OVEUIUWIDRUOON-FUHWJXTLSA-N 2 2 347.459 1.172 20 0 EDADLP C[N@@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3Cc3ccccc3)[C@H]2C1 ZINC000284634881 274273191 /nfs/dbraw/zinc/27/31/91/274273191.db2.gz NMGCELIKBQPKMQ-ZWKOTPCHSA-N 2 2 326.444 1.836 20 0 EDADLP C[N@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3Cc3ccccc3)[C@H]2C1 ZINC000284634881 274273192 /nfs/dbraw/zinc/27/31/92/274273192.db2.gz NMGCELIKBQPKMQ-ZWKOTPCHSA-N 2 2 326.444 1.836 20 0 EDADLP Cn1c(N2CCC(O)(C[NH+]3CCOCC3)CC2)[nH+]c2cccc(F)c21 ZINC000407954052 274886915 /nfs/dbraw/zinc/88/69/15/274886915.db2.gz CYZUWKKWWSSIAG-UHFFFAOYSA-N 2 2 348.422 1.376 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc[nH+]cc2C)CC1=O ZINC000245894280 276171028 /nfs/dbraw/zinc/17/10/28/276171028.db2.gz CVQKZJJGTUUQCW-LSDHHAIUSA-N 2 2 330.432 1.661 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc[nH+]cc2C)CC1=O ZINC000245894280 276171030 /nfs/dbraw/zinc/17/10/30/276171030.db2.gz CVQKZJJGTUUQCW-LSDHHAIUSA-N 2 2 330.432 1.661 20 0 EDADLP CCCCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372563 276233859 /nfs/dbraw/zinc/23/38/59/276233859.db2.gz KAWPKQJSGCDVON-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CCCCN(CCOC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372563 276233861 /nfs/dbraw/zinc/23/38/61/276233861.db2.gz KAWPKQJSGCDVON-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000368698501 277055183 /nfs/dbraw/zinc/05/51/83/277055183.db2.gz OCYXKIHFSMAFKJ-QAPCUYQASA-N 2 2 337.464 1.051 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000340266125 277517706 /nfs/dbraw/zinc/51/77/06/277517706.db2.gz SRXICQJQUGYFMQ-HNNXBMFYSA-N 2 2 349.479 1.146 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000333379591 278015939 /nfs/dbraw/zinc/01/59/39/278015939.db2.gz WASNDCYYELIBRV-KDOFPFPSSA-N 2 2 344.459 1.659 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCc2c[nH+]cn2C)C[C@@H](C)O1 ZINC000365705711 278768881 /nfs/dbraw/zinc/76/88/81/278768881.db2.gz VGUDEJBZEPOAJJ-RBSFLKMASA-N 2 2 335.452 1.203 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000418428622 279138069 /nfs/dbraw/zinc/13/80/69/279138069.db2.gz QKWXQSQZAXWUCQ-JKSUJKDBSA-N 3 2 339.528 1.170 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000418428622 279138072 /nfs/dbraw/zinc/13/80/72/279138072.db2.gz QKWXQSQZAXWUCQ-JKSUJKDBSA-N 3 2 339.528 1.170 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000427910905 279478692 /nfs/dbraw/zinc/47/86/92/279478692.db2.gz ZBDIQIDZRZDELU-MRXNPFEDSA-N 2 2 333.480 1.356 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000287697696 288298790 /nfs/dbraw/zinc/29/87/90/288298790.db2.gz IYRZLZFHKFOJMX-ZACQAIPSSA-N 2 2 343.475 1.929 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccccc2OC2CC2)CC1 ZINC000287744872 288312330 /nfs/dbraw/zinc/31/23/30/288312330.db2.gz LCYYHJLYSUZJAD-UHFFFAOYSA-N 2 2 331.460 1.984 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc2c1ncn2C ZINC000287929884 288359262 /nfs/dbraw/zinc/35/92/62/288359262.db2.gz DRHVTCXIZXCLCZ-UHFFFAOYSA-N 2 2 344.463 1.066 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc2c1ncn2C ZINC000287929884 288359264 /nfs/dbraw/zinc/35/92/64/288359264.db2.gz DRHVTCXIZXCLCZ-UHFFFAOYSA-N 2 2 344.463 1.066 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000289196202 288648309 /nfs/dbraw/zinc/64/83/09/288648309.db2.gz JHIRTGRSAYSGDO-FUHWJXTLSA-N 2 2 342.491 1.757 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)c1cc(C[NH+]2CCCC2)on1 ZINC000291612313 289124917 /nfs/dbraw/zinc/12/49/17/289124917.db2.gz DQLCCVYYLILICR-UHFFFAOYSA-N 2 2 329.404 1.897 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCCC(C)(C)C ZINC000371299735 289333822 /nfs/dbraw/zinc/33/38/22/289333822.db2.gz JWFXQIIOJZEIOM-PMPSAXMXSA-N 2 2 325.497 1.722 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCCC(C)(C)C ZINC000371299735 289333826 /nfs/dbraw/zinc/33/38/26/289333826.db2.gz JWFXQIIOJZEIOM-PMPSAXMXSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000292441138 289348236 /nfs/dbraw/zinc/34/82/36/289348236.db2.gz OLSXYITVNFAVEV-YJBOKZPZSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000292441138 289348239 /nfs/dbraw/zinc/34/82/39/289348239.db2.gz OLSXYITVNFAVEV-YJBOKZPZSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)c1cnccn1 ZINC000345297433 290001118 /nfs/dbraw/zinc/00/11/18/290001118.db2.gz FVNOOYRTUNLRLR-WPKBUWHJSA-N 2 2 340.431 1.755 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000372838209 447309057 /nfs/dbraw/zinc/30/90/57/447309057.db2.gz ONLNJEQWPCRMOC-CVEARBPZSA-N 2 2 347.463 1.070 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000372838209 447309061 /nfs/dbraw/zinc/30/90/61/447309061.db2.gz ONLNJEQWPCRMOC-CVEARBPZSA-N 2 2 347.463 1.070 20 0 EDADLP C[C@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC000178692188 298303946 /nfs/dbraw/zinc/30/39/46/298303946.db2.gz CYZJAZLXXJRNIM-OAHLLOKOSA-N 2 2 346.475 1.560 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496906611 298577393 /nfs/dbraw/zinc/57/73/93/298577393.db2.gz GMVAIUYPJMFADQ-RHSMWYFYSA-N 2 2 329.485 1.726 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000370470568 300233611 /nfs/dbraw/zinc/23/36/11/300233611.db2.gz HOFGSGGWFHTERZ-DOTOQJQBSA-N 2 2 334.508 1.146 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000370470568 300233614 /nfs/dbraw/zinc/23/36/14/300233614.db2.gz HOFGSGGWFHTERZ-DOTOQJQBSA-N 2 2 334.508 1.146 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000419903490 304707199 /nfs/dbraw/zinc/70/71/99/304707199.db2.gz WULVJVPUMRDTDO-UONOGXRCSA-N 2 2 348.447 1.052 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000420300132 304745747 /nfs/dbraw/zinc/74/57/47/304745747.db2.gz HFSUQHURCOCWDP-WMZOPIPTSA-N 2 2 347.459 1.061 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c(C)c1 ZINC000420363797 304752132 /nfs/dbraw/zinc/75/21/32/304752132.db2.gz JUCJULRDQBXBPT-RVSPLBMKSA-N 2 2 332.448 1.928 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)NC(=O)NCc1ccccc1 ZINC000420363740 304752147 /nfs/dbraw/zinc/75/21/47/304752147.db2.gz JLVONUKSTFELGH-RZLSGREXSA-N 2 2 332.448 1.377 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000237783684 302020630 /nfs/dbraw/zinc/02/06/30/302020630.db2.gz JBURLLQDJJQDSC-QUCCMNQESA-N 2 2 345.487 1.874 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294362998 303097326 /nfs/dbraw/zinc/09/73/26/303097326.db2.gz GJPHOKGHIOCAEA-UHFFFAOYSA-N 2 2 329.404 1.110 20 0 EDADLP CC1(C)OCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000294716873 303138754 /nfs/dbraw/zinc/13/87/54/303138754.db2.gz JXBSZEPGXKQMSZ-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295045066 303166476 /nfs/dbraw/zinc/16/64/76/303166476.db2.gz FDWDCKPZBSFFNX-NVXWUHKLSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000295045066 303166478 /nfs/dbraw/zinc/16/64/78/303166478.db2.gz FDWDCKPZBSFFNX-NVXWUHKLSA-N 2 2 349.475 1.849 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000295266384 303196707 /nfs/dbraw/zinc/19/67/07/303196707.db2.gz VHMUXKGXZREVGE-GJZGRUSLSA-N 2 2 339.505 1.934 20 0 EDADLP O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000295362005 303208925 /nfs/dbraw/zinc/20/89/25/303208925.db2.gz FVQYCABLQAPRGU-SFHVURJKSA-N 2 2 342.443 1.508 20 0 EDADLP CCNC(=O)CC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295693554 303253440 /nfs/dbraw/zinc/25/34/40/303253440.db2.gz DOEHYLXNISGOTB-HNNXBMFYSA-N 2 2 332.448 1.661 20 0 EDADLP CCNC(=O)CC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295693554 303253442 /nfs/dbraw/zinc/25/34/42/303253442.db2.gz DOEHYLXNISGOTB-HNNXBMFYSA-N 2 2 332.448 1.661 20 0 EDADLP COc1nccnc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000295871411 303277802 /nfs/dbraw/zinc/27/78/02/303277802.db2.gz XIAAWSPXIOXAIB-AWEZNQCLSA-N 2 2 328.420 1.633 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000104070400 303299286 /nfs/dbraw/zinc/29/92/86/303299286.db2.gz CQDAMZLLOIMICK-ZDUSSCGKSA-N 2 2 337.386 1.370 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000104070400 303299287 /nfs/dbraw/zinc/29/92/87/303299287.db2.gz CQDAMZLLOIMICK-ZDUSSCGKSA-N 2 2 337.386 1.370 20 0 EDADLP O=C(CCn1c[nH+]c2c1CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000296824007 303339901 /nfs/dbraw/zinc/33/99/01/303339901.db2.gz RWSOKHKHXYIWLY-UHFFFAOYSA-N 2 2 339.443 1.896 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@@H]1c1ccccc1 ZINC000296935769 303348603 /nfs/dbraw/zinc/34/86/03/303348603.db2.gz BKBVMUZAKCSOCQ-HKUYNNGSSA-N 2 2 342.443 1.770 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@@H]1c1ccccc1 ZINC000296935769 303348605 /nfs/dbraw/zinc/34/86/05/303348605.db2.gz BKBVMUZAKCSOCQ-HKUYNNGSSA-N 2 2 342.443 1.770 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297540765 303410413 /nfs/dbraw/zinc/41/04/13/303410413.db2.gz ORYXSAYTCBFVEB-PBHICJAKSA-N 2 2 343.431 1.339 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)ccc1OCC(=O)N1CCCC1 ZINC000414854256 447328429 /nfs/dbraw/zinc/32/84/29/447328429.db2.gz YYCOAQIGWDBUNH-MRXNPFEDSA-N 2 2 347.459 1.538 20 0 EDADLP CNC(=O)C[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000299228467 303595292 /nfs/dbraw/zinc/59/52/92/303595292.db2.gz FXQRALUBLCUGST-OAHLLOKOSA-N 2 2 335.448 1.012 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000456216983 447333261 /nfs/dbraw/zinc/33/32/61/447333261.db2.gz PDDRBNHBBFOQNG-NXHRZFHOSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000456216983 447333264 /nfs/dbraw/zinc/33/32/64/447333264.db2.gz PDDRBNHBBFOQNG-NXHRZFHOSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000456216983 447333266 /nfs/dbraw/zinc/33/32/66/447333266.db2.gz PDDRBNHBBFOQNG-NXHRZFHOSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000456216983 447333268 /nfs/dbraw/zinc/33/32/68/447333268.db2.gz PDDRBNHBBFOQNG-NXHRZFHOSA-N 2 2 335.492 1.620 20 0 EDADLP CC1CC[NH+](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000302093476 303712395 /nfs/dbraw/zinc/71/23/95/303712395.db2.gz IBXJDAFVNFHCFV-INIZCTEOSA-N 2 2 333.480 1.972 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000420754733 304778631 /nfs/dbraw/zinc/77/86/31/304778631.db2.gz BTEHEXLGRNIKLA-UHFFFAOYSA-N 2 2 333.480 1.934 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420894226 304781934 /nfs/dbraw/zinc/78/19/34/304781934.db2.gz RFEOHAMGTFBPPQ-RDHHWEPZSA-N 2 2 338.496 1.364 20 0 EDADLP COC1([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000421822458 304815887 /nfs/dbraw/zinc/81/58/87/304815887.db2.gz XBVGDNZYBUWDEA-QGZVFWFLSA-N 2 2 347.507 1.926 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000423079913 304884731 /nfs/dbraw/zinc/88/47/31/304884731.db2.gz YUZWKNHTJAHWHF-CZUORRHYSA-N 2 2 326.462 1.337 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])c2cscn2)Cc2ccccc2C1 ZINC000423433858 304896259 /nfs/dbraw/zinc/89/62/59/304896259.db2.gz XHCANTOVYOVDRS-OAHLLOKOSA-N 2 2 330.457 1.358 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000423717960 304905675 /nfs/dbraw/zinc/90/56/75/304905675.db2.gz AQAKFPNULLDZNV-UHFFFAOYSA-N 2 2 325.416 1.996 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423924236 304917435 /nfs/dbraw/zinc/91/74/35/304917435.db2.gz DFEAQHMJKSWZKD-QLFBSQMISA-N 2 2 332.448 1.645 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000423934148 304919225 /nfs/dbraw/zinc/91/92/25/304919225.db2.gz YHKSVIBDQPEDON-AWEZNQCLSA-N 2 2 332.448 1.789 20 0 EDADLP C[NH+](C)CCOCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425239323 304956913 /nfs/dbraw/zinc/95/69/13/304956913.db2.gz NWHZZBQUXJZSKE-MRXNPFEDSA-N 2 2 330.432 1.626 20 0 EDADLP O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000428032474 305004530 /nfs/dbraw/zinc/00/45/30/305004530.db2.gz KESNJKRUKCNMOP-NVXWUHKLSA-N 2 2 348.516 1.076 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428037146 305004849 /nfs/dbraw/zinc/00/48/49/305004849.db2.gz SQJNVKGPVOSJLY-KYJSFNMBSA-N 2 2 340.471 1.899 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428037146 305004850 /nfs/dbraw/zinc/00/48/50/305004850.db2.gz SQJNVKGPVOSJLY-KYJSFNMBSA-N 2 2 340.471 1.899 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000428055175 305005966 /nfs/dbraw/zinc/00/59/66/305005966.db2.gz PZRUAKJJFGFPFW-CWRNSKLLSA-N 2 2 347.459 1.392 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000428055175 305005967 /nfs/dbraw/zinc/00/59/67/305005967.db2.gz PZRUAKJJFGFPFW-CWRNSKLLSA-N 2 2 347.459 1.392 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430588248 305057408 /nfs/dbraw/zinc/05/74/08/305057408.db2.gz CLGCNVFBKLKILR-QGZVFWFLSA-N 2 2 344.459 1.826 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430588248 305057409 /nfs/dbraw/zinc/05/74/09/305057409.db2.gz CLGCNVFBKLKILR-QGZVFWFLSA-N 2 2 344.459 1.826 20 0 EDADLP CCCCc1noc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430604621 305058336 /nfs/dbraw/zinc/05/83/36/305058336.db2.gz OHPMXOMRPWDUBD-AWEZNQCLSA-N 2 2 335.452 1.056 20 0 EDADLP CCCCc1noc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430604621 305058337 /nfs/dbraw/zinc/05/83/37/305058337.db2.gz OHPMXOMRPWDUBD-AWEZNQCLSA-N 2 2 335.452 1.056 20 0 EDADLP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430608439 305058536 /nfs/dbraw/zinc/05/85/36/305058536.db2.gz FJJZXGWRQZWTJV-STQMWFEESA-N 2 2 340.493 1.528 20 0 EDADLP CCO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430608439 305058537 /nfs/dbraw/zinc/05/85/37/305058537.db2.gz FJJZXGWRQZWTJV-STQMWFEESA-N 2 2 340.493 1.528 20 0 EDADLP NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430635433 305060655 /nfs/dbraw/zinc/06/06/55/305060655.db2.gz GYSBNVRWKDFWOZ-ZDUSSCGKSA-N 2 2 326.238 1.646 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430642135 305061043 /nfs/dbraw/zinc/06/10/43/305061043.db2.gz NYNKXWWVROPPNO-DLBZAZTESA-N 2 2 330.476 1.300 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430642135 305061044 /nfs/dbraw/zinc/06/10/44/305061044.db2.gz NYNKXWWVROPPNO-DLBZAZTESA-N 2 2 330.476 1.300 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC([NH3+])CC2)c1 ZINC000430670261 305062155 /nfs/dbraw/zinc/06/21/55/305062155.db2.gz VUODLFXUIMGFQK-CQSZACIVSA-N 2 2 346.475 1.919 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000430921248 305068193 /nfs/dbraw/zinc/06/81/93/305068193.db2.gz SCWFAWMOWGPYQU-ZDUSSCGKSA-N 2 2 347.850 1.804 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccnn2Cc2ccccc2Cl)C1 ZINC000430921248 305068194 /nfs/dbraw/zinc/06/81/94/305068194.db2.gz SCWFAWMOWGPYQU-ZDUSSCGKSA-N 2 2 347.850 1.804 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000430931522 305068886 /nfs/dbraw/zinc/06/88/86/305068886.db2.gz WNIQEZJPBQVPNX-PKOBYXMFSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000430931522 305068887 /nfs/dbraw/zinc/06/88/87/305068887.db2.gz WNIQEZJPBQVPNX-PKOBYXMFSA-N 3 2 344.503 1.308 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000430949596 305070164 /nfs/dbraw/zinc/07/01/64/305070164.db2.gz DNKQTQKLPLGQCE-ILXRZTDVSA-N 2 2 347.459 1.565 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000430949596 305070165 /nfs/dbraw/zinc/07/01/65/305070165.db2.gz DNKQTQKLPLGQCE-ILXRZTDVSA-N 2 2 347.459 1.565 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000430960110 305071048 /nfs/dbraw/zinc/07/10/48/305071048.db2.gz HCDDAQPOODXMQW-LSDHHAIUSA-N 2 2 349.475 1.731 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000430960110 305071049 /nfs/dbraw/zinc/07/10/49/305071049.db2.gz HCDDAQPOODXMQW-LSDHHAIUSA-N 2 2 349.475 1.731 20 0 EDADLP C[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000431008253 305072636 /nfs/dbraw/zinc/07/26/36/305072636.db2.gz YMHFTUWZOLKNIQ-PBHICJAKSA-N 2 2 327.432 1.390 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCCC2)no1 ZINC000431037401 305073392 /nfs/dbraw/zinc/07/33/92/305073392.db2.gz JOQJEKOXMMHAMG-QWHCGFSZSA-N 2 2 335.452 1.534 20 0 EDADLP [NH3+]C1CC[NH+](CCCC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000433124910 305101040 /nfs/dbraw/zinc/10/10/40/305101040.db2.gz GUQAWQIQBOZZEV-UHFFFAOYSA-N 3 2 345.491 1.370 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434462189 305123125 /nfs/dbraw/zinc/12/31/25/305123125.db2.gz CLDDJVKBWVJSPC-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000434463069 305123325 /nfs/dbraw/zinc/12/33/25/305123325.db2.gz LLGGQKMCRCALKG-UHFFFAOYSA-N 2 2 336.480 1.121 20 0 EDADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434495828 305123620 /nfs/dbraw/zinc/12/36/20/305123620.db2.gz ZJEZJKIKYAGPEP-JKSUJKDBSA-N 2 2 341.521 1.993 20 0 EDADLP CCOCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434495828 305123621 /nfs/dbraw/zinc/12/36/21/305123621.db2.gz ZJEZJKIKYAGPEP-JKSUJKDBSA-N 2 2 341.521 1.993 20 0 EDADLP CCOCC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000434495828 305123622 /nfs/dbraw/zinc/12/36/22/305123622.db2.gz ZJEZJKIKYAGPEP-JKSUJKDBSA-N 2 2 341.521 1.993 20 0 EDADLP CCOCC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000434495828 305123623 /nfs/dbraw/zinc/12/36/23/305123623.db2.gz ZJEZJKIKYAGPEP-JKSUJKDBSA-N 2 2 341.521 1.993 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000434797802 305130487 /nfs/dbraw/zinc/13/04/87/305130487.db2.gz SWLPYVQUJKVVFC-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000434797802 305130488 /nfs/dbraw/zinc/13/04/88/305130488.db2.gz SWLPYVQUJKVVFC-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)N1 ZINC000435027396 305134762 /nfs/dbraw/zinc/13/47/62/305134762.db2.gz FZJXKAGCZJPFDO-HNNXBMFYSA-N 2 2 331.401 1.108 20 0 EDADLP O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)N1 ZINC000435027396 305134763 /nfs/dbraw/zinc/13/47/63/305134763.db2.gz FZJXKAGCZJPFDO-HNNXBMFYSA-N 2 2 331.401 1.108 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435571489 305142752 /nfs/dbraw/zinc/14/27/52/305142752.db2.gz VUGVCAQQUOXFGF-INIZCTEOSA-N 2 2 346.475 1.708 20 0 EDADLP Cn1cc[nH+]c1CN(Cc1noc(C2CC2)n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691774 305145430 /nfs/dbraw/zinc/14/54/30/305145430.db2.gz HWYHERTZFAXUPU-CQSZACIVSA-N 2 2 342.447 1.825 20 0 EDADLP C[NH2+]CCC[NH+]1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000435873633 305148611 /nfs/dbraw/zinc/14/86/11/305148611.db2.gz DYBVRWKJGZCEDA-UHFFFAOYSA-N 2 2 349.504 1.741 20 0 EDADLP O=C(CC[NH2+]CC[C@@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000438219315 305183440 /nfs/dbraw/zinc/18/34/40/305183440.db2.gz LKSCVIJPFSNFKP-MRXNPFEDSA-N 2 2 332.448 1.137 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000440692416 305211279 /nfs/dbraw/zinc/21/12/79/305211279.db2.gz KTJZLXTXFPXQGM-HOTGVXAUSA-N 2 2 340.512 1.022 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000440692416 305211280 /nfs/dbraw/zinc/21/12/80/305211280.db2.gz KTJZLXTXFPXQGM-HOTGVXAUSA-N 2 2 340.512 1.022 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000440692416 305211281 /nfs/dbraw/zinc/21/12/81/305211281.db2.gz KTJZLXTXFPXQGM-HOTGVXAUSA-N 2 2 340.512 1.022 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000440692416 305211282 /nfs/dbraw/zinc/21/12/82/305211282.db2.gz KTJZLXTXFPXQGM-HOTGVXAUSA-N 2 2 340.512 1.022 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H]1C ZINC000441069406 305216861 /nfs/dbraw/zinc/21/68/61/305216861.db2.gz DVYKTEILQRCIFB-ZIAGYGMSSA-N 2 2 344.459 1.512 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@H]1C ZINC000441069406 305216862 /nfs/dbraw/zinc/21/68/62/305216862.db2.gz DVYKTEILQRCIFB-ZIAGYGMSSA-N 2 2 344.459 1.512 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@H]1C ZINC000441069406 305216863 /nfs/dbraw/zinc/21/68/63/305216863.db2.gz DVYKTEILQRCIFB-ZIAGYGMSSA-N 2 2 344.459 1.512 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@H]1C ZINC000441069406 305216864 /nfs/dbraw/zinc/21/68/64/305216864.db2.gz DVYKTEILQRCIFB-ZIAGYGMSSA-N 2 2 344.459 1.512 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC(N)=O)c(C)c1 ZINC000441386983 305221884 /nfs/dbraw/zinc/22/18/84/305221884.db2.gz XNQMOVNBAGTUCA-HIFRSBDPSA-N 2 2 329.404 1.414 20 0 EDADLP O=S(=O)(NCCn1cc[nH+]c1)c1ccccc1Cn1cc[nH+]c1 ZINC000442911144 305231193 /nfs/dbraw/zinc/23/11/93/305231193.db2.gz HPXWJYGBIAIGFB-UHFFFAOYSA-N 2 2 331.401 1.106 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000447658663 305283794 /nfs/dbraw/zinc/28/37/94/305283794.db2.gz IQAFULOQFOWLNT-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H](C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000447657022 305283814 /nfs/dbraw/zinc/28/38/14/305283814.db2.gz CLQNYWUUMIWISG-XHSDSOJGSA-N 2 2 325.497 1.817 20 0 EDADLP C[C@@H](C(=O)N(C)CC[NH+]1CCOC(C)(C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000447657022 305283815 /nfs/dbraw/zinc/28/38/15/305283815.db2.gz CLQNYWUUMIWISG-XHSDSOJGSA-N 2 2 325.497 1.817 20 0 EDADLP C[C@@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000447657022 305283816 /nfs/dbraw/zinc/28/38/16/305283816.db2.gz CLQNYWUUMIWISG-XHSDSOJGSA-N 2 2 325.497 1.817 20 0 EDADLP C[C@@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000447657022 305283817 /nfs/dbraw/zinc/28/38/17/305283817.db2.gz CLQNYWUUMIWISG-XHSDSOJGSA-N 2 2 325.497 1.817 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447850433 305287188 /nfs/dbraw/zinc/28/71/88/305287188.db2.gz VQHHMVLMPKRZLR-INIZCTEOSA-N 2 2 327.432 1.506 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000447850433 305287189 /nfs/dbraw/zinc/28/71/89/305287189.db2.gz VQHHMVLMPKRZLR-INIZCTEOSA-N 2 2 327.432 1.506 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(C)[nH+]1 ZINC000448325076 305295762 /nfs/dbraw/zinc/29/57/62/305295762.db2.gz LTHGRYBLCBDDAZ-HNNXBMFYSA-N 2 2 332.448 1.874 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c(C)[nH+]1 ZINC000448325076 305295763 /nfs/dbraw/zinc/29/57/63/305295763.db2.gz LTHGRYBLCBDDAZ-HNNXBMFYSA-N 2 2 332.448 1.874 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000449315199 305311124 /nfs/dbraw/zinc/31/11/24/305311124.db2.gz HGYYWBGYKHIDME-NXHRZFHOSA-N 2 2 331.460 1.340 20 0 EDADLP CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451539987 305352119 /nfs/dbraw/zinc/35/21/19/305352119.db2.gz WBTHILDRLGHOLC-IAGOWNOFSA-N 2 2 339.480 1.204 20 0 EDADLP CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451539987 305352120 /nfs/dbraw/zinc/35/21/20/305352120.db2.gz WBTHILDRLGHOLC-IAGOWNOFSA-N 2 2 339.480 1.204 20 0 EDADLP CC[C@H](C(=O)OC)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451539987 305352121 /nfs/dbraw/zinc/35/21/21/305352121.db2.gz WBTHILDRLGHOLC-IAGOWNOFSA-N 2 2 339.480 1.204 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000456371990 305461150 /nfs/dbraw/zinc/46/11/50/305461150.db2.gz FHLRPQPGZMUVKX-CQSZACIVSA-N 2 2 342.447 1.541 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492820832 305603795 /nfs/dbraw/zinc/60/37/95/305603795.db2.gz CEDBZOKEJLVBOF-XITLMJRVSA-N 2 2 339.443 1.750 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNC(=O)/C=C\c2[nH]cc[nH+]2)CCC[N@@H+]1C ZINC000493612124 447354379 /nfs/dbraw/zinc/35/43/79/447354379.db2.gz ITGMQUOEWWKKOY-MZVVEVKISA-N 2 2 328.420 1.356 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNC(=O)/C=C\c2[nH]cc[nH+]2)CCC[N@H+]1C ZINC000493612124 447354385 /nfs/dbraw/zinc/35/43/85/447354385.db2.gz ITGMQUOEWWKKOY-MZVVEVKISA-N 2 2 328.420 1.356 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000514662088 305701229 /nfs/dbraw/zinc/70/12/29/305701229.db2.gz FZSWSBTWYBJJRF-ZBFHGGJFSA-N 2 2 329.448 1.586 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000514667128 305701271 /nfs/dbraw/zinc/70/12/71/305701271.db2.gz YGCWZLCFTXEAFZ-BXUZGUMPSA-N 2 2 345.896 1.514 20 0 EDADLP C[C@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000515404093 305720848 /nfs/dbraw/zinc/72/08/48/305720848.db2.gz LZWLFXJKKZSZSX-DOTOQJQBSA-N 2 2 326.444 1.917 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000530298323 305937478 /nfs/dbraw/zinc/93/74/78/305937478.db2.gz RQELIOHTPDYQPM-UHFFFAOYSA-N 2 2 347.488 1.942 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000534581004 306008094 /nfs/dbraw/zinc/00/80/94/306008094.db2.gz ZLSPODIWPSKPDT-ZDUSSCGKSA-N 2 2 333.436 1.368 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000534581004 306008095 /nfs/dbraw/zinc/00/80/95/306008095.db2.gz ZLSPODIWPSKPDT-ZDUSSCGKSA-N 2 2 333.436 1.368 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000548519569 306130165 /nfs/dbraw/zinc/13/01/65/306130165.db2.gz VVBOBSXIULHTJM-UHFFFAOYSA-N 2 2 342.443 1.236 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)on1 ZINC000548665317 306134123 /nfs/dbraw/zinc/13/41/23/306134123.db2.gz YUIIMZPHRHZCCC-CYBMUJFWSA-N 2 2 329.404 1.944 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)on1 ZINC000548665317 306134124 /nfs/dbraw/zinc/13/41/24/306134124.db2.gz YUIIMZPHRHZCCC-CYBMUJFWSA-N 2 2 329.404 1.944 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CCCC[NH+](C)C)c[nH+]2)CCO1 ZINC000552114981 306175430 /nfs/dbraw/zinc/17/54/30/306175430.db2.gz IUBLYMCYYVMCKE-HNNXBMFYSA-N 2 2 334.464 1.655 20 0 EDADLP CC1(C)C[NH+](CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000553336662 306184428 /nfs/dbraw/zinc/18/44/28/306184428.db2.gz BRTNUMDUNFAFAC-UHFFFAOYSA-N 2 2 331.460 1.477 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCOC ZINC000553544462 306186312 /nfs/dbraw/zinc/18/63/12/306186312.db2.gz LDFCWLAFNVGBDG-RDJZCZTQSA-N 2 2 334.464 1.405 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCOC ZINC000553544462 306186313 /nfs/dbraw/zinc/18/63/13/306186313.db2.gz LDFCWLAFNVGBDG-RDJZCZTQSA-N 2 2 334.464 1.405 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000377816104 447370620 /nfs/dbraw/zinc/37/06/20/447370620.db2.gz CDVUHLFKKMXBBZ-HOTGVXAUSA-N 2 2 343.431 1.787 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000377816104 447370628 /nfs/dbraw/zinc/37/06/28/447370628.db2.gz CDVUHLFKKMXBBZ-HOTGVXAUSA-N 2 2 343.431 1.787 20 0 EDADLP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000414970680 447380592 /nfs/dbraw/zinc/38/05/92/447380592.db2.gz HSZGCDPEVSCVCL-BBRMVZONSA-N 2 2 341.415 1.390 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCOC(C)C)CC2)CC1 ZINC000422189664 447394930 /nfs/dbraw/zinc/39/49/30/447394930.db2.gz VERIJHBORCIPIJ-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCOC(C)C)CC2)CC1 ZINC000422189664 447394939 /nfs/dbraw/zinc/39/49/39/447394939.db2.gz VERIJHBORCIPIJ-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCn4cc[nH+]c43)C2)CC1 ZINC000378112146 447401181 /nfs/dbraw/zinc/40/11/81/447401181.db2.gz OJMNDKQZJYSJKN-IRXDYDNUSA-N 2 2 345.491 1.387 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000378111486 447401720 /nfs/dbraw/zinc/40/17/20/447401720.db2.gz NICRIWXQWGTRSK-PBHICJAKSA-N 2 2 327.432 1.869 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000378111486 447401727 /nfs/dbraw/zinc/40/17/27/447401727.db2.gz NICRIWXQWGTRSK-PBHICJAKSA-N 2 2 327.432 1.869 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000493829554 447402495 /nfs/dbraw/zinc/40/24/95/447402495.db2.gz XCENDFGFJQEMPJ-RRGWEWPQSA-N 2 2 340.427 1.722 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000493829554 447402496 /nfs/dbraw/zinc/40/24/96/447402496.db2.gz XCENDFGFJQEMPJ-RRGWEWPQSA-N 2 2 340.427 1.722 20 0 EDADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415300692 447405394 /nfs/dbraw/zinc/40/53/94/447405394.db2.gz ALXHVUZPQUKNQF-CQSZACIVSA-N 2 2 340.383 1.681 20 0 EDADLP O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000378191849 447406586 /nfs/dbraw/zinc/40/65/86/447406586.db2.gz KMOMQLKMXLZQOF-SJORKVTESA-N 2 2 341.459 2.447 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000415302007 447406687 /nfs/dbraw/zinc/40/66/87/447406687.db2.gz MNOXQAAVYKQTPG-KRWDZBQOSA-N 2 2 333.436 1.476 20 0 EDADLP CCc1noc(C)c1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458578598 447419743 /nfs/dbraw/zinc/41/97/43/447419743.db2.gz DIXRLXIMIZNGIT-UHFFFAOYSA-N 2 2 337.468 1.371 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)ccc2[nH+]1 ZINC000415424114 447423641 /nfs/dbraw/zinc/42/36/41/447423641.db2.gz HWPNJQAISSAXHZ-OAHLLOKOSA-N 2 2 343.431 1.605 20 0 EDADLP COC(=O)c1oc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C ZINC000046063304 441078209 /nfs/dbraw/zinc/07/82/09/441078209.db2.gz XIASSTHFXVKRGH-UHFFFAOYSA-N 2 2 335.448 1.588 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000047029271 441150759 /nfs/dbraw/zinc/15/07/59/441150759.db2.gz OWZUJXLMUMCTMR-MRXNPFEDSA-N 2 2 327.432 1.799 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)N(C)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000105173860 441239872 /nfs/dbraw/zinc/23/98/72/441239872.db2.gz ZCOJLQTVVGJBJS-SJLPKXTDSA-N 2 2 340.512 1.471 20 0 EDADLP CC(C)(CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000071913057 441194582 /nfs/dbraw/zinc/19/45/82/441194582.db2.gz UBTBFRKXQGPANM-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080926215 441209691 /nfs/dbraw/zinc/20/96/91/441209691.db2.gz FBNGQUXMZCYSNJ-SFHVURJKSA-N 2 2 340.427 1.809 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cnccn1 ZINC000080980510 441217474 /nfs/dbraw/zinc/21/74/74/441217474.db2.gz SFJUGCHIXUCKKR-UHFFFAOYSA-N 2 2 340.431 1.042 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cnccn1 ZINC000080980510 441217477 /nfs/dbraw/zinc/21/74/77/441217477.db2.gz SFJUGCHIXUCKKR-UHFFFAOYSA-N 2 2 340.431 1.042 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCNS(C)(=O)=O ZINC000081013322 441220737 /nfs/dbraw/zinc/22/07/37/441220737.db2.gz OABGEQIEYGDHKY-WBVHZDCISA-N 2 2 339.505 1.378 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCNS(C)(=O)=O ZINC000081013322 441220739 /nfs/dbraw/zinc/22/07/39/441220739.db2.gz OABGEQIEYGDHKY-WBVHZDCISA-N 2 2 339.505 1.378 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCNS(C)(=O)=O ZINC000081013322 441220740 /nfs/dbraw/zinc/22/07/40/441220740.db2.gz OABGEQIEYGDHKY-WBVHZDCISA-N 2 2 339.505 1.378 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCNS(C)(=O)=O ZINC000081013322 441220743 /nfs/dbraw/zinc/22/07/43/441220743.db2.gz OABGEQIEYGDHKY-WBVHZDCISA-N 2 2 339.505 1.378 20 0 EDADLP C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105298104 441249097 /nfs/dbraw/zinc/24/90/97/441249097.db2.gz QCWNBXPQSNERRU-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105301831 441249834 /nfs/dbraw/zinc/24/98/34/441249834.db2.gz LYVHFHDLRYLRDS-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H](C)S1 ZINC000072771141 441256875 /nfs/dbraw/zinc/25/68/75/441256875.db2.gz RKWGDMVIHCVRBH-GASCZTMLSA-N 2 2 337.489 1.750 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H](C)S1 ZINC000072771141 441256878 /nfs/dbraw/zinc/25/68/78/441256878.db2.gz RKWGDMVIHCVRBH-GASCZTMLSA-N 2 2 337.489 1.750 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000105786453 441268635 /nfs/dbraw/zinc/26/86/35/441268635.db2.gz WABPOTODJKZDNF-OAHLLOKOSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000105786453 441268640 /nfs/dbraw/zinc/26/86/40/441268640.db2.gz WABPOTODJKZDNF-OAHLLOKOSA-N 2 2 333.480 1.972 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000049018296 441342356 /nfs/dbraw/zinc/34/23/56/441342356.db2.gz WFKPOEIPHWKLPN-UHFFFAOYSA-N 2 2 341.415 1.310 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000105897933 441312118 /nfs/dbraw/zinc/31/21/18/441312118.db2.gz HIAJCWCIQMGHHL-CQSZACIVSA-N 2 2 328.482 1.364 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000105897933 441312120 /nfs/dbraw/zinc/31/21/20/441312120.db2.gz HIAJCWCIQMGHHL-CQSZACIVSA-N 2 2 328.482 1.364 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000106914048 441389349 /nfs/dbraw/zinc/38/93/49/441389349.db2.gz KOFXJIQIOJKDMG-IAGOWNOFSA-N 2 2 326.444 1.795 20 0 EDADLP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065172434 441405861 /nfs/dbraw/zinc/40/58/61/441405861.db2.gz ZJBOBQFDRRNQJY-JZXOWHBKSA-N 2 2 327.513 1.261 20 0 EDADLP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065172434 441405867 /nfs/dbraw/zinc/40/58/67/441405867.db2.gz ZJBOBQFDRRNQJY-JZXOWHBKSA-N 2 2 327.513 1.261 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065172434 441405872 /nfs/dbraw/zinc/40/58/72/441405872.db2.gz ZJBOBQFDRRNQJY-JZXOWHBKSA-N 2 2 327.513 1.261 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065172434 441405877 /nfs/dbraw/zinc/40/58/77/441405877.db2.gz ZJBOBQFDRRNQJY-JZXOWHBKSA-N 2 2 327.513 1.261 20 0 EDADLP COC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000074580009 441446773 /nfs/dbraw/zinc/44/67/73/441446773.db2.gz GVOZZKQOXWNBBC-MRXNPFEDSA-N 2 2 328.501 1.325 20 0 EDADLP COC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000074580009 441446775 /nfs/dbraw/zinc/44/67/75/441446775.db2.gz GVOZZKQOXWNBBC-MRXNPFEDSA-N 2 2 328.501 1.325 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)CC(C)C)CC2)cc1 ZINC000065961399 441497514 /nfs/dbraw/zinc/49/75/14/441497514.db2.gz QDRNJIJSJFDDQF-UHFFFAOYSA-N 2 2 333.476 1.927 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CC(C)C)CC2)cc1 ZINC000065961399 441497516 /nfs/dbraw/zinc/49/75/16/441497516.db2.gz QDRNJIJSJFDDQF-UHFFFAOYSA-N 2 2 333.476 1.927 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)S1 ZINC000075893322 441565391 /nfs/dbraw/zinc/56/53/91/441565391.db2.gz JWQQHRYSMKKNLB-IYBDPMFKSA-N 2 2 348.516 1.946 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)S1 ZINC000075893322 441565395 /nfs/dbraw/zinc/56/53/95/441565395.db2.gz JWQQHRYSMKKNLB-IYBDPMFKSA-N 2 2 348.516 1.946 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000054510194 441582259 /nfs/dbraw/zinc/58/22/59/441582259.db2.gz VNPHTPMLKJZSGT-GOSISDBHSA-N 2 2 345.491 1.641 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000054510194 441582265 /nfs/dbraw/zinc/58/22/65/441582265.db2.gz VNPHTPMLKJZSGT-GOSISDBHSA-N 2 2 345.491 1.641 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066914166 441585678 /nfs/dbraw/zinc/58/56/78/441585678.db2.gz WMAKQGANXVEXBK-ZACQAIPSSA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC(C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066917051 441586525 /nfs/dbraw/zinc/58/65/25/441586525.db2.gz UUILXEUDAQCURA-FGTMMUONSA-N 2 2 339.524 1.968 20 0 EDADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC(C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066917051 441586530 /nfs/dbraw/zinc/58/65/30/441586530.db2.gz UUILXEUDAQCURA-FGTMMUONSA-N 2 2 339.524 1.968 20 0 EDADLP Cn1ccnc1CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000113254722 441592682 /nfs/dbraw/zinc/59/26/82/441592682.db2.gz QRWORFQDDCTEKC-UHFFFAOYSA-N 2 2 336.443 1.924 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000076073220 441593682 /nfs/dbraw/zinc/59/36/82/441593682.db2.gz QBQZGQDGEUPIQW-HNNXBMFYSA-N 2 2 335.452 1.411 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000114477915 441662315 /nfs/dbraw/zinc/66/23/15/441662315.db2.gz XIRUTNBYVLZUSM-CYBMUJFWSA-N 2 2 325.403 1.507 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000114477915 441662318 /nfs/dbraw/zinc/66/23/18/441662318.db2.gz XIRUTNBYVLZUSM-CYBMUJFWSA-N 2 2 325.403 1.507 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000113512498 441613420 /nfs/dbraw/zinc/61/34/20/441613420.db2.gz MXBDBCCGFAPXJK-QGZVFWFLSA-N 2 2 332.492 1.513 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000113512498 441613423 /nfs/dbraw/zinc/61/34/23/441613423.db2.gz MXBDBCCGFAPXJK-QGZVFWFLSA-N 2 2 332.492 1.513 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000158803149 441765663 /nfs/dbraw/zinc/76/56/63/441765663.db2.gz FDQVKIMJIBGHIY-WDSOQIARSA-N 3 2 346.519 1.820 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000158803149 441765671 /nfs/dbraw/zinc/76/56/71/441765671.db2.gz FDQVKIMJIBGHIY-WDSOQIARSA-N 3 2 346.519 1.820 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[NH+]1C ZINC000158803149 441765679 /nfs/dbraw/zinc/76/56/79/441765679.db2.gz FDQVKIMJIBGHIY-WDSOQIARSA-N 3 2 346.519 1.820 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[NH+]1C ZINC000158803149 441765682 /nfs/dbraw/zinc/76/56/82/441765682.db2.gz FDQVKIMJIBGHIY-WDSOQIARSA-N 3 2 346.519 1.820 20 0 EDADLP Cn1cnnc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092369163 441794754 /nfs/dbraw/zinc/79/47/54/441794754.db2.gz KSLGYGNYTNXVHT-UHFFFAOYSA-N 2 2 334.855 1.510 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173965997 441869748 /nfs/dbraw/zinc/86/97/48/441869748.db2.gz BBIGLEBLTQUMBF-AEFFLSMTSA-N 2 2 331.460 1.298 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173965997 441869755 /nfs/dbraw/zinc/86/97/55/441869755.db2.gz BBIGLEBLTQUMBF-AEFFLSMTSA-N 2 2 331.460 1.298 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000043311596 441832907 /nfs/dbraw/zinc/83/29/07/441832907.db2.gz XBYCXJWJYZZUSZ-UHFFFAOYSA-N 2 2 327.432 1.978 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174199252 441902108 /nfs/dbraw/zinc/90/21/08/441902108.db2.gz KEKGFNROGRVLRK-INIZCTEOSA-N 2 2 342.443 1.525 20 0 EDADLP CN(CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000124347942 441920716 /nfs/dbraw/zinc/92/07/16/441920716.db2.gz VAYGEEOEOBXCCG-UHFFFAOYSA-N 2 2 344.503 1.798 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000118106523 441887012 /nfs/dbraw/zinc/88/70/12/441887012.db2.gz YNWYZEOKHIVHSZ-OAHLLOKOSA-N 2 2 327.388 1.021 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000118106523 441887016 /nfs/dbraw/zinc/88/70/16/441887016.db2.gz YNWYZEOKHIVHSZ-OAHLLOKOSA-N 2 2 327.388 1.021 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000123437718 441887522 /nfs/dbraw/zinc/88/75/22/441887522.db2.gz WFZMBRQGXVSNDS-WMLDXEAASA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@H+]1C ZINC000123437718 441887527 /nfs/dbraw/zinc/88/75/27/441887527.db2.gz WFZMBRQGXVSNDS-WMLDXEAASA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[NH+]1C ZINC000123437718 441887528 /nfs/dbraw/zinc/88/75/28/441887528.db2.gz WFZMBRQGXVSNDS-WMLDXEAASA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[NH+]1C ZINC000123437718 441887533 /nfs/dbraw/zinc/88/75/33/441887533.db2.gz WFZMBRQGXVSNDS-WMLDXEAASA-N 2 2 346.475 1.741 20 0 EDADLP C[C@H]1C[NH+](CCCCNC(=O)Cc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000123629692 441892965 /nfs/dbraw/zinc/89/29/65/441892965.db2.gz GLBZEHJCPACLJS-HOTGVXAUSA-N 2 2 344.459 1.882 20 0 EDADLP C[N@H+](CCC(=O)OC(C)(C)C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093686688 441893098 /nfs/dbraw/zinc/89/30/98/441893098.db2.gz FXDLRQZBBAFXOL-UHFFFAOYSA-N 2 2 349.479 1.392 20 0 EDADLP C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093686688 441893103 /nfs/dbraw/zinc/89/31/03/441893103.db2.gz FXDLRQZBBAFXOL-UHFFFAOYSA-N 2 2 349.479 1.392 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2c1 ZINC000093821463 441897292 /nfs/dbraw/zinc/89/72/92/441897292.db2.gz BKKQYXNTPHVNKA-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2c1 ZINC000093821463 441897296 /nfs/dbraw/zinc/89/72/96/441897296.db2.gz BKKQYXNTPHVNKA-KRWDZBQOSA-N 2 2 341.459 1.381 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000150813807 441955471 /nfs/dbraw/zinc/95/54/71/441955471.db2.gz PHDWUSXZAFYVRT-QGZVFWFLSA-N 2 2 327.472 1.989 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCc2ccccc2C1 ZINC000150813807 441955477 /nfs/dbraw/zinc/95/54/77/441955477.db2.gz PHDWUSXZAFYVRT-QGZVFWFLSA-N 2 2 327.472 1.989 20 0 EDADLP CCN(C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000174719038 441958989 /nfs/dbraw/zinc/95/89/89/441958989.db2.gz WLPQQFPYFXKPIQ-UHFFFAOYSA-N 2 2 332.492 1.609 20 0 EDADLP CCN(C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000174719038 441958992 /nfs/dbraw/zinc/95/89/92/441958992.db2.gz WLPQQFPYFXKPIQ-UHFFFAOYSA-N 2 2 332.492 1.609 20 0 EDADLP C[C@H]1C[NH+]=C(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)S1 ZINC000079497675 442054157 /nfs/dbraw/zinc/05/41/57/442054157.db2.gz FQNFCXHAVCGQRS-LSDHHAIUSA-N 2 2 335.473 1.535 20 0 EDADLP COCc1csc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000175442120 442065144 /nfs/dbraw/zinc/06/51/44/442065144.db2.gz DTROOSFVZHGXIL-UHFFFAOYSA-N 2 2 341.481 1.437 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000162270690 442079833 /nfs/dbraw/zinc/07/98/33/442079833.db2.gz UEHZTXXCAPXOON-NSHDSACASA-N 2 2 346.258 1.864 20 0 EDADLP C[N@H+]1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000162270690 442079838 /nfs/dbraw/zinc/07/98/38/442079838.db2.gz UEHZTXXCAPXOON-NSHDSACASA-N 2 2 346.258 1.864 20 0 EDADLP Cc1ccc(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175772511 442119330 /nfs/dbraw/zinc/11/93/30/442119330.db2.gz PZYFXZGWOHDWGJ-UHFFFAOYSA-N 2 2 332.492 1.863 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[N@@H+]1C1CC1 ZINC000121154312 442184068 /nfs/dbraw/zinc/18/40/68/442184068.db2.gz QVMGKYYCULFWND-QWHCGFSZSA-N 2 2 343.518 1.583 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C[N@H+]1C1CC1 ZINC000121154312 442184072 /nfs/dbraw/zinc/18/40/72/442184072.db2.gz QVMGKYYCULFWND-QWHCGFSZSA-N 2 2 343.518 1.583 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000164676208 442200819 /nfs/dbraw/zinc/20/08/19/442200819.db2.gz ABECWGAKCLWRNC-LZWOXQAQSA-N 2 2 334.464 1.685 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn2c1CCCC2 ZINC000127008161 442161735 /nfs/dbraw/zinc/16/17/35/442161735.db2.gz MHDNSZIVPDFVNF-UHFFFAOYSA-N 2 2 333.480 1.317 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn2c1CCCC2 ZINC000127008161 442161736 /nfs/dbraw/zinc/16/17/36/442161736.db2.gz MHDNSZIVPDFVNF-UHFFFAOYSA-N 2 2 333.480 1.317 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000176357824 442214199 /nfs/dbraw/zinc/21/41/99/442214199.db2.gz OOVUHBJXCOMEJN-GOEBONIOSA-N 2 2 332.448 1.378 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@]3(C)CO)CC2)CC1 ZINC000128414308 442265544 /nfs/dbraw/zinc/26/55/44/442265544.db2.gz XLDIFJFJSOXRQE-SFHVURJKSA-N 2 2 338.496 1.101 20 0 EDADLP O=C([C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[NH+](C2CC2)CC1 ZINC000170802498 442266510 /nfs/dbraw/zinc/26/65/10/442266510.db2.gz CTQHWBXTQMTMKA-LJQANCHMSA-N 2 2 343.471 1.491 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000128717312 442284337 /nfs/dbraw/zinc/28/43/37/442284337.db2.gz WZVSSIQASJFWGB-SJORKVTESA-N 3 2 345.491 1.050 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000128717312 442284339 /nfs/dbraw/zinc/28/43/39/442284339.db2.gz WZVSSIQASJFWGB-SJORKVTESA-N 3 2 345.491 1.050 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000153463128 442284363 /nfs/dbraw/zinc/28/43/63/442284363.db2.gz QHBGRLWPQDTLSO-GOSISDBHSA-N 2 2 349.500 1.505 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CCOC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000153463128 442284366 /nfs/dbraw/zinc/28/43/66/442284366.db2.gz QHBGRLWPQDTLSO-GOSISDBHSA-N 2 2 349.500 1.505 20 0 EDADLP CC(=O)c1cccc(OCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177112992 442298746 /nfs/dbraw/zinc/29/87/46/442298746.db2.gz WDDOZKVZVGZRSW-UHFFFAOYSA-N 2 2 347.459 1.410 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000129404432 442314906 /nfs/dbraw/zinc/31/49/06/442314906.db2.gz DHOZCHODKRAKBC-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCOC1 ZINC000171651834 442367230 /nfs/dbraw/zinc/36/72/30/442367230.db2.gz AMNRBVKKZZEOAN-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCOC1 ZINC000171651834 442367233 /nfs/dbraw/zinc/36/72/33/442367233.db2.gz AMNRBVKKZZEOAN-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000131419705 442371954 /nfs/dbraw/zinc/37/19/54/442371954.db2.gz SABLQAGYDBNJKU-OAHLLOKOSA-N 2 2 329.510 1.218 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC2CC[NH+](CC3CC3)CC2)nc[nH+]1 ZINC000171543336 442355343 /nfs/dbraw/zinc/35/53/43/442355343.db2.gz VYYZHCSWHUTCJJ-INIZCTEOSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC2CC[NH+](CC3CC3)CC2)[nH+]cn1 ZINC000171543336 442355347 /nfs/dbraw/zinc/35/53/47/442355347.db2.gz VYYZHCSWHUTCJJ-INIZCTEOSA-N 2 2 331.464 1.724 20 0 EDADLP CCC[C@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@@H+]1CCOC ZINC000130929648 442359546 /nfs/dbraw/zinc/35/95/46/442359546.db2.gz WKILZDTWDRUWRG-JKSUJKDBSA-N 2 2 343.537 1.383 20 0 EDADLP CCC[C@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@H+]1CCOC ZINC000130929648 442359547 /nfs/dbraw/zinc/35/95/47/442359547.db2.gz WKILZDTWDRUWRG-JKSUJKDBSA-N 2 2 343.537 1.383 20 0 EDADLP CCC[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC[NH+]1CCOC ZINC000130929648 442359549 /nfs/dbraw/zinc/35/95/49/442359549.db2.gz WKILZDTWDRUWRG-JKSUJKDBSA-N 2 2 343.537 1.383 20 0 EDADLP CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134166611 442454222 /nfs/dbraw/zinc/45/42/22/442454222.db2.gz BJDASESQKPCLID-HNNXBMFYSA-N 2 2 348.495 1.360 20 0 EDADLP C[C@@H]1CSCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000172592418 442498341 /nfs/dbraw/zinc/49/83/41/442498341.db2.gz OVEVUCFGAKARPH-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP C[C@@H]1CSCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000172592418 442498347 /nfs/dbraw/zinc/49/83/47/442498347.db2.gz OVEVUCFGAKARPH-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP CC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000134605727 442500006 /nfs/dbraw/zinc/50/00/06/442500006.db2.gz AKMGDNAGBGWJQQ-APWZRJJASA-N 2 2 345.491 1.241 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NCCOc1ccccc1 ZINC000156308677 442465826 /nfs/dbraw/zinc/46/58/26/442465826.db2.gz YNHLILXNNCAVHO-GOSISDBHSA-N 2 2 341.411 1.730 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NCCOc1ccccc1 ZINC000156308677 442465830 /nfs/dbraw/zinc/46/58/30/442465830.db2.gz YNHLILXNNCAVHO-GOSISDBHSA-N 2 2 341.411 1.730 20 0 EDADLP COC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccco1 ZINC000134384705 442476666 /nfs/dbraw/zinc/47/66/66/442476666.db2.gz NKWFZTXRHJWMAZ-HNNXBMFYSA-N 2 2 331.420 1.299 20 0 EDADLP C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179869974 442514186 /nfs/dbraw/zinc/51/41/86/442514186.db2.gz UQBPWPMFYOANAP-HOTGVXAUSA-N 2 2 346.475 1.523 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000157467949 442586439 /nfs/dbraw/zinc/58/64/39/442586439.db2.gz GUFDJYCEZZALQU-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000157467949 442586446 /nfs/dbraw/zinc/58/64/46/442586446.db2.gz GUFDJYCEZZALQU-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC2)cc(OC)c1 ZINC000192123530 442598026 /nfs/dbraw/zinc/59/80/26/442598026.db2.gz RWFFTFUKUKIQBY-KBPBESRZSA-N 2 2 335.448 1.331 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000157677790 442604073 /nfs/dbraw/zinc/60/40/73/442604073.db2.gz IMTAKTMKFSGFBA-HUUCEWRRSA-N 2 2 336.505 1.639 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000157677790 442604075 /nfs/dbraw/zinc/60/40/75/442604075.db2.gz IMTAKTMKFSGFBA-HUUCEWRRSA-N 2 2 336.505 1.639 20 0 EDADLP C[C@@]([NH3+])(C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000192522838 442658075 /nfs/dbraw/zinc/65/80/75/442658075.db2.gz DVERKVJIOJGHPK-ROUUACIJSA-N 2 2 349.500 1.185 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000136097427 442649753 /nfs/dbraw/zinc/64/97/53/442649753.db2.gz NPMMCRLKQZCZNI-OIISXLGYSA-N 2 2 342.447 1.695 20 0 EDADLP C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000136097427 442649755 /nfs/dbraw/zinc/64/97/55/442649755.db2.gz NPMMCRLKQZCZNI-OIISXLGYSA-N 2 2 342.447 1.695 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH+]ccc3N)c[nH+]2)C[C@H](C)O1 ZINC000188063725 442707110 /nfs/dbraw/zinc/70/71/10/442707110.db2.gz DLAAYMBUWOBJRC-BETUJISGSA-N 2 2 341.415 1.602 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000192789388 442686562 /nfs/dbraw/zinc/68/65/62/442686562.db2.gz MAOWWZGNFIXCNO-MRXNPFEDSA-N 2 2 346.475 1.065 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000192789388 442686564 /nfs/dbraw/zinc/68/65/64/442686564.db2.gz MAOWWZGNFIXCNO-MRXNPFEDSA-N 2 2 346.475 1.065 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)c1ccccc1 ZINC000187288852 442667971 /nfs/dbraw/zinc/66/79/71/442667971.db2.gz LKGQHWZNZPZHJR-AEFFLSMTSA-N 2 2 333.476 1.595 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)c1ccccc1 ZINC000187288852 442667973 /nfs/dbraw/zinc/66/79/73/442667973.db2.gz LKGQHWZNZPZHJR-AEFFLSMTSA-N 2 2 333.476 1.595 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC2(O)CCCCCC2)CC1 ZINC000187333993 442670730 /nfs/dbraw/zinc/67/07/30/442670730.db2.gz ZTZZTQBDBZQYBQ-MRXNPFEDSA-N 2 2 325.497 1.556 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2(O)CCCCCC2)CC1 ZINC000187333993 442670732 /nfs/dbraw/zinc/67/07/32/442670732.db2.gz ZTZZTQBDBZQYBQ-MRXNPFEDSA-N 2 2 325.497 1.556 20 0 EDADLP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000188209380 442724760 /nfs/dbraw/zinc/72/47/60/442724760.db2.gz ZFHQZHIUKPDPLV-RDJZCZTQSA-N 2 2 349.450 1.279 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326121 442739726 /nfs/dbraw/zinc/73/97/26/442739726.db2.gz VPUBHSNZXSQTOO-YLJYHZDGSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326121 442739728 /nfs/dbraw/zinc/73/97/28/442739728.db2.gz VPUBHSNZXSQTOO-YLJYHZDGSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188326121 442739731 /nfs/dbraw/zinc/73/97/31/442739731.db2.gz VPUBHSNZXSQTOO-YLJYHZDGSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188326121 442739734 /nfs/dbraw/zinc/73/97/34/442739734.db2.gz VPUBHSNZXSQTOO-YLJYHZDGSA-N 2 2 347.503 1.812 20 0 EDADLP COCc1noc([C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000182211176 442745395 /nfs/dbraw/zinc/74/53/95/442745395.db2.gz RWLDSCSXSIUBGD-CABCVRRESA-N 2 2 337.468 1.379 20 0 EDADLP COCc1noc([C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000182211176 442745398 /nfs/dbraw/zinc/74/53/98/442745398.db2.gz RWLDSCSXSIUBGD-CABCVRRESA-N 2 2 337.468 1.379 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000188406674 442747413 /nfs/dbraw/zinc/74/74/13/442747413.db2.gz LXFLDFZYBPIIEM-NVXWUHKLSA-N 2 2 340.512 1.205 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000188406674 442747415 /nfs/dbraw/zinc/74/74/15/442747415.db2.gz LXFLDFZYBPIIEM-NVXWUHKLSA-N 2 2 340.512 1.205 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1nccn1C ZINC000182632452 442798850 /nfs/dbraw/zinc/79/88/50/442798850.db2.gz GSWRIVLVWNHARQ-MRXNPFEDSA-N 2 2 328.464 1.808 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193647449 442763779 /nfs/dbraw/zinc/76/37/79/442763779.db2.gz MHRQQFMPRUTMDO-CALCHBBNSA-N 2 2 331.460 1.585 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193647449 442763781 /nfs/dbraw/zinc/76/37/81/442763781.db2.gz MHRQQFMPRUTMDO-CALCHBBNSA-N 2 2 331.460 1.585 20 0 EDADLP CCCOc1cccc(CNC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193647449 442763782 /nfs/dbraw/zinc/76/37/82/442763782.db2.gz MHRQQFMPRUTMDO-CALCHBBNSA-N 2 2 331.460 1.585 20 0 EDADLP CCCOc1cccc(CNC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193647449 442763785 /nfs/dbraw/zinc/76/37/85/442763785.db2.gz MHRQQFMPRUTMDO-CALCHBBNSA-N 2 2 331.460 1.585 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)[NH+]2CCOCC2)s1 ZINC000182415534 442765278 /nfs/dbraw/zinc/76/52/78/442765278.db2.gz LCNFZDFIEKWFLF-HIFRSBDPSA-N 2 2 325.478 1.529 20 0 EDADLP C=Cn1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000193889979 442806962 /nfs/dbraw/zinc/80/69/62/442806962.db2.gz HZZPDCVCCMWVOF-UHFFFAOYSA-N 2 2 331.464 1.360 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000265531700 442811840 /nfs/dbraw/zinc/81/18/40/442811840.db2.gz FTOBQUUMHQZKSG-OAHLLOKOSA-N 2 2 334.464 1.333 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000265531700 442811847 /nfs/dbraw/zinc/81/18/47/442811847.db2.gz FTOBQUUMHQZKSG-OAHLLOKOSA-N 2 2 334.464 1.333 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000268128703 442859474 /nfs/dbraw/zinc/85/94/74/442859474.db2.gz HPODQQMHJHOCSE-CRAIPNDOSA-N 2 2 343.475 1.392 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000268128703 442859476 /nfs/dbraw/zinc/85/94/76/442859476.db2.gz HPODQQMHJHOCSE-CRAIPNDOSA-N 2 2 343.475 1.392 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(C[C@H]2CCOC2)C2CC2)CC1 ZINC000179278766 318455584 /nfs/dbraw/zinc/45/55/84/318455584.db2.gz MZHHGBHGVQUYQC-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000181833204 318491086 /nfs/dbraw/zinc/49/10/86/318491086.db2.gz KUFYCHJDOIJCMF-QGZVFWFLSA-N 2 2 347.459 1.433 20 0 EDADLP CN(C(=O)c1ocnc1C(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625502216 450397270 /nfs/dbraw/zinc/39/72/70/450397270.db2.gz QXGGOEPWIZWXHI-GFCCVEGCSA-N 2 2 342.390 1.853 20 0 EDADLP CN(C(=O)c1ocnc1C(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625502216 450397273 /nfs/dbraw/zinc/39/72/73/450397273.db2.gz QXGGOEPWIZWXHI-GFCCVEGCSA-N 2 2 342.390 1.853 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265924940 442971370 /nfs/dbraw/zinc/97/13/70/442971370.db2.gz VZTVIIZYYZKMJQ-SFHVURJKSA-N 2 2 331.460 1.440 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265924940 442971374 /nfs/dbraw/zinc/97/13/74/442971374.db2.gz VZTVIIZYYZKMJQ-SFHVURJKSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184295193 443009092 /nfs/dbraw/zinc/00/90/92/443009092.db2.gz LPQVRDFOWYDRAF-MRXNPFEDSA-N 2 2 331.464 1.788 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184295193 443009094 /nfs/dbraw/zinc/00/90/94/443009094.db2.gz LPQVRDFOWYDRAF-MRXNPFEDSA-N 2 2 331.464 1.788 20 0 EDADLP CCn1cc[nH+]c1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000195515212 443027363 /nfs/dbraw/zinc/02/73/63/443027363.db2.gz SFTRVDKYLGIOPO-UHFFFAOYSA-N 2 2 334.386 1.990 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2)C1 ZINC000268881289 443136656 /nfs/dbraw/zinc/13/66/56/443136656.db2.gz HVCXITQJFZAGSZ-ZBFHGGJFSA-N 2 2 335.448 1.723 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2)C1 ZINC000268881289 443136659 /nfs/dbraw/zinc/13/66/59/443136659.db2.gz HVCXITQJFZAGSZ-ZBFHGGJFSA-N 2 2 335.448 1.723 20 0 EDADLP Cc1c(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cnn1C ZINC000268912603 443144889 /nfs/dbraw/zinc/14/48/89/443144889.db2.gz NIBHZEMIULUFEJ-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1c(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cnn1C ZINC000268912603 443144894 /nfs/dbraw/zinc/14/48/94/443144894.db2.gz NIBHZEMIULUFEJ-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)c1csc(C[NH3+])n1)[NH+](C)C ZINC000237205201 443164217 /nfs/dbraw/zinc/16/42/17/443164217.db2.gz WHDUHKJTLRDMHK-CYBMUJFWSA-N 2 2 334.445 1.643 20 0 EDADLP COc1cccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000190751840 443175882 /nfs/dbraw/zinc/17/58/82/443175882.db2.gz HLQDTOGUKZGBRJ-SFHVURJKSA-N 2 2 327.428 1.599 20 0 EDADLP COc1cccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000190751840 443175884 /nfs/dbraw/zinc/17/58/84/443175884.db2.gz HLQDTOGUKZGBRJ-SFHVURJKSA-N 2 2 327.428 1.599 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)[nH+]1 ZINC000269034258 443178689 /nfs/dbraw/zinc/17/86/89/443178689.db2.gz VDHCWTZNTGDQOE-HOCLYGCPSA-N 2 2 330.432 1.580 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)[nH+]1 ZINC000269034258 443178692 /nfs/dbraw/zinc/17/86/92/443178692.db2.gz VDHCWTZNTGDQOE-HOCLYGCPSA-N 2 2 330.432 1.580 20 0 EDADLP NC(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000237763382 443182587 /nfs/dbraw/zinc/18/25/87/443182587.db2.gz LUTRFQJISKSHNJ-LJQANCHMSA-N 2 2 339.439 1.294 20 0 EDADLP NC(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000237763382 443182590 /nfs/dbraw/zinc/18/25/90/443182590.db2.gz LUTRFQJISKSHNJ-LJQANCHMSA-N 2 2 339.439 1.294 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1CO ZINC000190845358 443194334 /nfs/dbraw/zinc/19/43/34/443194334.db2.gz XRAAFPZUYMFXFJ-WBVHZDCISA-N 2 2 347.459 1.018 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1CO ZINC000190845358 443194341 /nfs/dbraw/zinc/19/43/41/443194341.db2.gz XRAAFPZUYMFXFJ-WBVHZDCISA-N 2 2 347.459 1.018 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000266721700 443219597 /nfs/dbraw/zinc/21/95/97/443219597.db2.gz SYYIOARYJNUPJR-INIZCTEOSA-N 2 2 348.495 1.066 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH+]3CCC(c4[nH]cc[nH+]4)CC3)C2=O)n(C)n1 ZINC000266757129 443230837 /nfs/dbraw/zinc/23/08/37/443230837.db2.gz PFRBDPZNAIOYBV-CQSZACIVSA-N 2 2 328.420 1.437 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245552481 443236352 /nfs/dbraw/zinc/23/63/52/443236352.db2.gz PSHBTCDBUJIRPF-HOTGVXAUSA-N 2 2 331.464 1.642 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245552481 443236357 /nfs/dbraw/zinc/23/63/57/443236357.db2.gz PSHBTCDBUJIRPF-HOTGVXAUSA-N 2 2 331.464 1.642 20 0 EDADLP CNC(=O)Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000245583533 443238212 /nfs/dbraw/zinc/23/82/12/443238212.db2.gz JKMVNWDHIPYKOT-TZMCWYRMSA-N 2 2 333.461 1.711 20 0 EDADLP CNC(=O)Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000245583533 443238213 /nfs/dbraw/zinc/23/82/13/443238213.db2.gz JKMVNWDHIPYKOT-TZMCWYRMSA-N 2 2 333.461 1.711 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000269233413 443243813 /nfs/dbraw/zinc/24/38/13/443243813.db2.gz KWWUKVQEZDDQBL-UXLLHSPISA-N 2 2 347.459 1.613 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000269233413 443243816 /nfs/dbraw/zinc/24/38/16/443243816.db2.gz KWWUKVQEZDDQBL-UXLLHSPISA-N 2 2 347.459 1.613 20 0 EDADLP C[NH+](C)C1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000360136973 319116939 /nfs/dbraw/zinc/11/69/39/319116939.db2.gz QXJHKPRGNOAIKS-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)Cn2cccn2)CCC1 ZINC000387440095 319131560 /nfs/dbraw/zinc/13/15/60/319131560.db2.gz PJQOELXEGOOKJV-SFHVURJKSA-N 2 2 328.460 1.888 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)Cn2cccn2)CCC1 ZINC000387440095 319131563 /nfs/dbraw/zinc/13/15/63/319131563.db2.gz PJQOELXEGOOKJV-SFHVURJKSA-N 2 2 328.460 1.888 20 0 EDADLP C[N@H+](Cc1ccnc(N)c1)[C@@H]1CCC[NH+](Cc2ccnc(N)c2)CC1 ZINC000411398168 319182484 /nfs/dbraw/zinc/18/24/84/319182484.db2.gz AYZRZTFDCALHLP-QGZVFWFLSA-N 2 2 340.475 1.788 20 0 EDADLP C[N@@H+](Cc1ccnc(N)c1)[C@@H]1CCC[NH+](Cc2ccnc(N)c2)CC1 ZINC000411398168 319182486 /nfs/dbraw/zinc/18/24/86/319182486.db2.gz AYZRZTFDCALHLP-QGZVFWFLSA-N 2 2 340.475 1.788 20 0 EDADLP C[NH+](Cc1ccnc(N)c1)[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)CC1 ZINC000411398168 319182487 /nfs/dbraw/zinc/18/24/87/319182487.db2.gz AYZRZTFDCALHLP-QGZVFWFLSA-N 2 2 340.475 1.788 20 0 EDADLP C[NH+](Cc1ccnc(N)c1)[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)CC1 ZINC000411398168 319182489 /nfs/dbraw/zinc/18/24/89/319182489.db2.gz AYZRZTFDCALHLP-QGZVFWFLSA-N 2 2 340.475 1.788 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCSC3(CCC3)CC2)CC1 ZINC000411871040 319210691 /nfs/dbraw/zinc/21/06/91/319210691.db2.gz QAGQBOUIBMAMAB-HNNXBMFYSA-N 2 2 325.522 1.901 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCSC3(CCC3)CC2)CC1 ZINC000411871040 319210693 /nfs/dbraw/zinc/21/06/93/319210693.db2.gz QAGQBOUIBMAMAB-HNNXBMFYSA-N 2 2 325.522 1.901 20 0 EDADLP C[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412276988 319229328 /nfs/dbraw/zinc/22/93/28/319229328.db2.gz ZRWNBSAMYPWHOL-DFGXFYAUSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412276988 319229331 /nfs/dbraw/zinc/22/93/31/319229331.db2.gz ZRWNBSAMYPWHOL-DFGXFYAUSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412276988 319229333 /nfs/dbraw/zinc/22/93/33/319229333.db2.gz ZRWNBSAMYPWHOL-DFGXFYAUSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412276988 319229335 /nfs/dbraw/zinc/22/93/35/319229335.db2.gz ZRWNBSAMYPWHOL-DFGXFYAUSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@@H](C(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412276994 319229351 /nfs/dbraw/zinc/22/93/51/319229351.db2.gz ZRWNBSAMYPWHOL-UIBIWLFHSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@@H](C(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412276994 319229354 /nfs/dbraw/zinc/22/93/54/319229354.db2.gz ZRWNBSAMYPWHOL-UIBIWLFHSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412276994 319229357 /nfs/dbraw/zinc/22/93/57/319229357.db2.gz ZRWNBSAMYPWHOL-UIBIWLFHSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412276994 319229358 /nfs/dbraw/zinc/22/93/58/319229358.db2.gz ZRWNBSAMYPWHOL-UIBIWLFHSA-N 2 2 337.508 1.817 20 0 EDADLP CCN(C)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000191185908 443254830 /nfs/dbraw/zinc/25/48/30/443254830.db2.gz IMLLSIXLDQPKAC-UHFFFAOYSA-N 2 2 331.508 1.751 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413563435 319277204 /nfs/dbraw/zinc/27/72/04/319277204.db2.gz RSRYLGTVDVFJBH-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413563435 319277207 /nfs/dbraw/zinc/27/72/07/319277207.db2.gz RSRYLGTVDVFJBH-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H](O)c3ccccc3)CC2)CC1 ZINC000266887824 443281089 /nfs/dbraw/zinc/28/10/89/443281089.db2.gz VIXWARDXRAXFJK-GOSISDBHSA-N 2 2 331.460 1.395 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000266911292 443288538 /nfs/dbraw/zinc/28/85/38/443288538.db2.gz IYNBQCGGGXZLRF-QGZVFWFLSA-N 2 2 339.443 1.562 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H](C)CN3CC[NH+](C)CC3)cn2c1 ZINC000264364804 443264440 /nfs/dbraw/zinc/26/44/40/443264440.db2.gz FIVNTBWSDDNNPK-OAHLLOKOSA-N 2 2 344.463 1.078 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000269287090 443267280 /nfs/dbraw/zinc/26/72/80/443267280.db2.gz SQBCXYRTCLDOEL-AWEZNQCLSA-N 2 2 333.436 1.442 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000269287090 443267286 /nfs/dbraw/zinc/26/72/86/443267286.db2.gz SQBCXYRTCLDOEL-AWEZNQCLSA-N 2 2 333.436 1.442 20 0 EDADLP CCC[NH2+]CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416915195 319473642 /nfs/dbraw/zinc/47/36/42/319473642.db2.gz XTSNPHFILHHNFE-MRXNPFEDSA-N 2 2 345.447 1.817 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416925987 319476248 /nfs/dbraw/zinc/47/62/48/319476248.db2.gz UHGIJEREZQHGLU-KCXAZCMYSA-N 2 2 345.422 1.946 20 0 EDADLP [NH3+]CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000416935250 319478314 /nfs/dbraw/zinc/47/83/14/319478314.db2.gz FYMKPIKAXOIESR-OAHLLOKOSA-N 2 2 331.464 1.952 20 0 EDADLP NC(=O)c1coc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000186000445 443296016 /nfs/dbraw/zinc/29/60/16/443296016.db2.gz AEWBUUJASGNFNN-UHFFFAOYSA-N 2 2 335.327 1.515 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1OC(F)F ZINC000264709132 443384072 /nfs/dbraw/zinc/38/40/72/443384072.db2.gz AZXYOKZSXWNNRQ-ZDUSSCGKSA-N 2 2 329.391 1.632 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1OC(F)F ZINC000264709132 443384078 /nfs/dbraw/zinc/38/40/78/443384078.db2.gz AZXYOKZSXWNNRQ-ZDUSSCGKSA-N 2 2 329.391 1.632 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420369133 319611486 /nfs/dbraw/zinc/61/14/86/319611486.db2.gz OBGHQGZCQAMVDI-OGHNNQOOSA-N 2 2 333.432 1.778 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000282656131 443400384 /nfs/dbraw/zinc/40/03/84/443400384.db2.gz PNUGAXRUYLERRP-INIZCTEOSA-N 2 2 331.464 1.788 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000267300060 443410635 /nfs/dbraw/zinc/41/06/35/443410635.db2.gz XIELSKDKVOEIOI-UHFFFAOYSA-N 2 2 342.447 1.023 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccnn1C ZINC000278808033 443448052 /nfs/dbraw/zinc/44/80/52/443448052.db2.gz RUFFDAAUNFAVMJ-JQHSSLGASA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccnn1C ZINC000278808033 443448056 /nfs/dbraw/zinc/44/80/56/443448056.db2.gz RUFFDAAUNFAVMJ-JQHSSLGASA-N 2 2 328.460 1.954 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+](C)C ZINC000267426094 443453550 /nfs/dbraw/zinc/45/35/50/443453550.db2.gz QNAMBBYFOUDKPI-LBPRGKRZSA-N 2 2 329.404 1.092 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)C2=O)cc1 ZINC000422976356 319744140 /nfs/dbraw/zinc/74/41/40/319744140.db2.gz CXPYGAMDOIRLHQ-LESCRADOSA-N 2 2 347.459 1.153 20 0 EDADLP C[N@@H+]1CCCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000267644756 443525535 /nfs/dbraw/zinc/52/55/35/443525535.db2.gz UROMEFAWDNSOMQ-UHFFFAOYSA-N 2 2 341.459 1.973 20 0 EDADLP C[N@H+]1CCCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000267644756 443525540 /nfs/dbraw/zinc/52/55/40/443525540.db2.gz UROMEFAWDNSOMQ-UHFFFAOYSA-N 2 2 341.459 1.973 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)n1C ZINC000425383511 319835573 /nfs/dbraw/zinc/83/55/73/319835573.db2.gz PLKXWRAMXHTGSJ-AWEZNQCLSA-N 2 2 345.447 1.586 20 0 EDADLP COC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000265164893 443555718 /nfs/dbraw/zinc/55/57/18/443555718.db2.gz CKICUHZCKBIQEL-HOCLYGCPSA-N 2 2 331.416 1.651 20 0 EDADLP COC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000265164893 443555720 /nfs/dbraw/zinc/55/57/20/443555720.db2.gz CKICUHZCKBIQEL-HOCLYGCPSA-N 2 2 331.416 1.651 20 0 EDADLP Cc1n[nH]c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000265167079 443556440 /nfs/dbraw/zinc/55/64/40/443556440.db2.gz CKHDNOOMVRUPGZ-UHFFFAOYSA-N 2 2 342.447 1.364 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[N@H+]2CC=CCC2)cn1 ZINC000279898220 443636951 /nfs/dbraw/zinc/63/69/51/443636951.db2.gz LAMAXUHHOXBRJC-UHFFFAOYSA-N 2 2 340.431 1.637 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[N@@H+]2CC=CCC2)cn1 ZINC000279898220 443636956 /nfs/dbraw/zinc/63/69/56/443636956.db2.gz LAMAXUHHOXBRJC-UHFFFAOYSA-N 2 2 340.431 1.637 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000272414311 443618109 /nfs/dbraw/zinc/61/81/09/443618109.db2.gz GDSAMHKVFRCGBX-GOEBONIOSA-N 2 2 327.432 1.612 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000272414311 443618112 /nfs/dbraw/zinc/61/81/12/443618112.db2.gz GDSAMHKVFRCGBX-GOEBONIOSA-N 2 2 327.432 1.612 20 0 EDADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000438995308 320037287 /nfs/dbraw/zinc/03/72/87/320037287.db2.gz BSDBPVWNUUNRNL-BBRMVZONSA-N 2 2 334.464 1.550 20 0 EDADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000438995308 320037290 /nfs/dbraw/zinc/03/72/90/320037290.db2.gz BSDBPVWNUUNRNL-BBRMVZONSA-N 2 2 334.464 1.550 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)CC1 ZINC000441046283 320086830 /nfs/dbraw/zinc/08/68/30/320086830.db2.gz MTXYDJPEYFTZGQ-MRXNPFEDSA-N 2 2 338.540 1.780 20 0 EDADLP C[C@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)CC[N@@H+]1CC(C)(C)O ZINC000443982289 320118104 /nfs/dbraw/zinc/11/81/04/320118104.db2.gz PKKKXVJBABXFGA-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)CC[N@H+]1CC(C)(C)O ZINC000443982289 320118106 /nfs/dbraw/zinc/11/81/06/320118106.db2.gz PKKKXVJBABXFGA-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C(C)C ZINC000449440024 320190876 /nfs/dbraw/zinc/19/08/76/320190876.db2.gz JWTWSQPPNRVSLA-KRWDZBQOSA-N 2 2 341.496 1.497 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000449728861 320202365 /nfs/dbraw/zinc/20/23/65/320202365.db2.gz XQVXUIRTQYTKGP-HLLBOEOZSA-N 2 2 348.466 1.580 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000449756351 320205835 /nfs/dbraw/zinc/20/58/35/320205835.db2.gz VXDMNDOJRNTOEG-PBHICJAKSA-N 2 2 348.466 1.593 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)NC3C[NH+](C(C)C)C3)CC2)cs1 ZINC000457725070 320333664 /nfs/dbraw/zinc/33/36/64/320333664.db2.gz QBDQZCKUXTWBKA-UHFFFAOYSA-N 2 2 336.505 1.872 20 0 EDADLP COc1ccccc1-c1ncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000491335682 320368872 /nfs/dbraw/zinc/36/88/72/320368872.db2.gz RIVGRPYBAQVQIH-SFHVURJKSA-N 2 2 330.432 1.554 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000493589986 320395226 /nfs/dbraw/zinc/39/52/26/320395226.db2.gz NSXBCGOQNYJMKU-OTDNITJGSA-N 2 2 344.278 1.625 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2cc(Br)cs2)[C@H](C[NH3+])C1 ZINC000493589986 320395227 /nfs/dbraw/zinc/39/52/27/320395227.db2.gz NSXBCGOQNYJMKU-OTDNITJGSA-N 2 2 344.278 1.625 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000276483546 443721727 /nfs/dbraw/zinc/72/17/27/443721727.db2.gz SQOSYFLVWIXITC-UHFFFAOYSA-N 2 2 331.460 1.893 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000276511626 443729937 /nfs/dbraw/zinc/72/99/37/443729937.db2.gz BIJJFHDMLKYEDQ-GOSISDBHSA-N 2 2 342.443 1.231 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(C)CC[NH+]3CCCC3)ccc2n1C ZINC000527376274 320508251 /nfs/dbraw/zinc/50/82/51/320508251.db2.gz GWKUZQRAVLKHBC-UHFFFAOYSA-N 2 2 343.431 1.374 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000298538906 443794627 /nfs/dbraw/zinc/79/46/27/443794627.db2.gz BDMLVHUNASLFFU-ZIAGYGMSSA-N 2 2 333.436 1.016 20 0 EDADLP CCS(=O)(=O)CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000298555528 443798216 /nfs/dbraw/zinc/79/82/16/443798216.db2.gz OQPIPIUKRCZDFG-UHFFFAOYSA-N 2 2 333.457 1.792 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000528089129 320535009 /nfs/dbraw/zinc/53/50/09/320535009.db2.gz ZWQLTKPCIJRTIV-SFHVURJKSA-N 2 2 342.443 1.690 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000288125336 443778643 /nfs/dbraw/zinc/77/86/43/443778643.db2.gz WXEIESKWJRQEJB-INIZCTEOSA-N 2 2 334.464 1.343 20 0 EDADLP O=C(C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000298625398 443821488 /nfs/dbraw/zinc/82/14/88/443821488.db2.gz JIWJSCIQRFPFJU-LSDHHAIUSA-N 2 2 345.447 1.160 20 0 EDADLP O=C(C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000298625398 443821489 /nfs/dbraw/zinc/82/14/89/443821489.db2.gz JIWJSCIQRFPFJU-LSDHHAIUSA-N 2 2 345.447 1.160 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[N@H+](C)CC3)c[nH+]2)CCO1 ZINC000298643680 443826677 /nfs/dbraw/zinc/82/66/77/443826677.db2.gz DTOPCDNWAILBMA-OAHLLOKOSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[N@@H+](C)CC3)c[nH+]2)CCO1 ZINC000298643680 443826679 /nfs/dbraw/zinc/82/66/79/443826679.db2.gz DTOPCDNWAILBMA-OAHLLOKOSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@H](CNc1nc(NC[C@@H](C)[NH+](C)C)c2c([nH+]1)CCS2)[NH+](C)C ZINC000288294899 443835184 /nfs/dbraw/zinc/83/51/84/443835184.db2.gz GXLGOJZIGRFIMR-VXGBXAGGSA-N 3 2 338.525 1.849 20 0 EDADLP COC(=O)C[N@H+](CC[C@@H](C)c1ccccc1)CCN1CC[NH+](C)CC1 ZINC000281283792 443869188 /nfs/dbraw/zinc/86/91/88/443869188.db2.gz ONSYGIXYOBEMJP-GOSISDBHSA-N 2 2 347.503 1.903 20 0 EDADLP COC(=O)C[N@@H+](CC[C@@H](C)c1ccccc1)CCN1CC[NH+](C)CC1 ZINC000281283792 443869194 /nfs/dbraw/zinc/86/91/94/443869194.db2.gz ONSYGIXYOBEMJP-GOSISDBHSA-N 2 2 347.503 1.903 20 0 EDADLP C[NH+](C)CCCOc1cnccc1CNC(=O)CCn1cc[nH+]c1 ZINC000288626322 443937942 /nfs/dbraw/zinc/93/79/42/443937942.db2.gz AETJPLHDBIXLRB-UHFFFAOYSA-N 2 2 331.420 1.315 20 0 EDADLP C[C@@H]([NH2+]CC(=O)NC[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000299057769 443941735 /nfs/dbraw/zinc/94/17/35/443941735.db2.gz SLASCQLPYDKORM-RHSMWYFYSA-N 2 2 328.416 1.818 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2cn3ccc(C)cc3[nH+]2)[N@H+](C)C1 ZINC000285324727 443942404 /nfs/dbraw/zinc/94/24/04/443942404.db2.gz UVNCPXBWXQZTSY-HOTGVXAUSA-N 2 2 345.447 1.503 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2cn3ccc(C)cc3[nH+]2)[N@@H+](C)C1 ZINC000285324727 443942409 /nfs/dbraw/zinc/94/24/09/443942409.db2.gz UVNCPXBWXQZTSY-HOTGVXAUSA-N 2 2 345.447 1.503 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000293015808 443903440 /nfs/dbraw/zinc/90/34/40/443903440.db2.gz QEPVTWIKQQLJDX-IBGZPJMESA-N 2 2 327.428 1.700 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000293015808 443903444 /nfs/dbraw/zinc/90/34/44/443903444.db2.gz QEPVTWIKQQLJDX-IBGZPJMESA-N 2 2 327.428 1.700 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000293015808 443903448 /nfs/dbraw/zinc/90/34/48/443903448.db2.gz QEPVTWIKQQLJDX-IBGZPJMESA-N 2 2 327.428 1.700 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000293015808 443903452 /nfs/dbraw/zinc/90/34/52/443903452.db2.gz QEPVTWIKQQLJDX-IBGZPJMESA-N 2 2 327.428 1.700 20 0 EDADLP C[C@H](C(=O)NC1CC1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285360139 443955642 /nfs/dbraw/zinc/95/56/42/443955642.db2.gz FCDBKCUFTOWEHO-QGZVFWFLSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285360139 443955647 /nfs/dbraw/zinc/95/56/47/443955647.db2.gz FCDBKCUFTOWEHO-QGZVFWFLSA-N 2 2 344.503 1.403 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nncn1-c1ccccc1 ZINC000277835781 444049062 /nfs/dbraw/zinc/04/90/62/444049062.db2.gz WMLMQONVONFZSY-UHFFFAOYSA-N 2 2 328.464 1.337 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nncn1-c1ccccc1 ZINC000277835781 444049065 /nfs/dbraw/zinc/04/90/65/444049065.db2.gz WMLMQONVONFZSY-UHFFFAOYSA-N 2 2 328.464 1.337 20 0 EDADLP C[NH+]1CCN(c2ccc(CNc3nc[nH+]c(N)c3Cl)cn2)CC1 ZINC000277667228 444023557 /nfs/dbraw/zinc/02/35/57/444023557.db2.gz ZSFQYHHNFLUCAQ-UHFFFAOYSA-N 2 2 333.827 1.471 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nncn3-c3ccccc3)C2)CC1 ZINC000277718444 444029826 /nfs/dbraw/zinc/02/98/26/444029826.db2.gz NFPBFEAFGIOYNH-GOSISDBHSA-N 2 2 340.475 1.479 20 0 EDADLP C[N@H+](CCNc1cc(N2CCOCC2)[nH+]cn1)Cc1ccc(F)cc1 ZINC000277723900 444032741 /nfs/dbraw/zinc/03/27/41/444032741.db2.gz HYYVBZUHJTVYML-UHFFFAOYSA-N 2 2 345.422 1.996 20 0 EDADLP C[N@@H+](CCNc1cc(N2CCOCC2)[nH+]cn1)Cc1ccc(F)cc1 ZINC000277723900 444032743 /nfs/dbraw/zinc/03/27/43/444032743.db2.gz HYYVBZUHJTVYML-UHFFFAOYSA-N 2 2 345.422 1.996 20 0 EDADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282077661 444080410 /nfs/dbraw/zinc/08/04/10/444080410.db2.gz NSRRTQJLVPXTSO-ZDUSSCGKSA-N 2 2 333.436 1.245 20 0 EDADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282077661 444080411 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Cn1c[nH+]c(CCNC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000562674527 321068612 /nfs/dbraw/zinc/06/86/12/321068612.db2.gz DXDILJWSJSNKCK-UHFFFAOYSA-N 2 2 341.459 1.533 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150166 321099553 /nfs/dbraw/zinc/09/95/53/321099553.db2.gz DVLYZCPRBOMGEH-AUUYWEPGSA-N 2 2 342.443 1.436 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150166 321099555 /nfs/dbraw/zinc/09/95/55/321099555.db2.gz DVLYZCPRBOMGEH-AUUYWEPGSA-N 2 2 342.443 1.436 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2CN(c3cc[nH+]c4cc(F)c(Cl)cc43)CCN2C1=O ZINC000564471535 321134107 /nfs/dbraw/zinc/13/41/07/321134107.db2.gz XWCZLNLXZDGQOQ-NOZJJQNGSA-N 2 2 334.782 1.776 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](c4nnc[nH]4)C3)c2cc1C ZINC000564880061 321153432 /nfs/dbraw/zinc/15/34/32/321153432.db2.gz NISHDNSYLSOHOV-LSDHHAIUSA-N 2 2 340.431 1.622 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](c4nnc[nH]4)C3)c2cc1C ZINC000564880061 321153433 /nfs/dbraw/zinc/15/34/33/321153433.db2.gz NISHDNSYLSOHOV-LSDHHAIUSA-N 2 2 340.431 1.622 20 0 EDADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289273576 444093252 /nfs/dbraw/zinc/09/32/52/444093252.db2.gz FKGIWNCPSLMYOK-IRXDYDNUSA-N 2 2 349.475 1.921 20 0 EDADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289273576 444093256 /nfs/dbraw/zinc/09/32/56/444093256.db2.gz FKGIWNCPSLMYOK-IRXDYDNUSA-N 2 2 349.475 1.921 20 0 EDADLP c1nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000565225716 321176836 /nfs/dbraw/zinc/17/68/36/321176836.db2.gz SIJMWOFDBVLYOV-MRXNPFEDSA-N 2 2 347.463 1.004 20 0 EDADLP CNC(=O)C(C)(C)C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000565770256 321200313 /nfs/dbraw/zinc/20/03/13/321200313.db2.gz MAPNEQTYLNGFHA-AWEZNQCLSA-N 2 2 332.448 1.376 20 0 EDADLP C[NH+](C)CC1(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC1 ZINC000565941847 321207557 /nfs/dbraw/zinc/20/75/57/321207557.db2.gz HBAFANKQTWAKRT-UHFFFAOYSA-N 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ZINC000289363173 444119304 /nfs/dbraw/zinc/11/93/04/444119304.db2.gz ZKWSHRFXHRXBLL-DOTOQJQBSA-N 2 2 328.464 1.367 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CCn2cc[nH+]c2)[NH+]2CCOCC2)cc1 ZINC000299657146 444108426 /nfs/dbraw/zinc/10/84/26/444108426.db2.gz MDFMWBVCSVHDIU-GOSISDBHSA-N 2 2 342.443 1.771 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CCn3cc[nH+]c3)c[nH+]2)CCO1 ZINC000299659822 444108641 /nfs/dbraw/zinc/10/86/41/444108641.db2.gz MWDQGKZVLWJSLE-CQSZACIVSA-N 2 2 329.404 1.210 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c2[nH+]ccn21 ZINC000572579525 321432553 /nfs/dbraw/zinc/43/25/53/321432553.db2.gz SJXCXEALFFFMOC-KFWWJZLASA-N 2 2 335.452 1.281 20 0 EDADLP Cc1nc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c(C)c(C)[nH+]1 ZINC000301428799 444171251 /nfs/dbraw/zinc/17/12/51/444171251.db2.gz FFEPKPNEWRXCQY-UHFFFAOYSA-N 2 2 345.491 1.926 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000285960356 444163651 /nfs/dbraw/zinc/16/36/51/444163651.db2.gz WSDNTQUUBJFJBS-IRXDYDNUSA-N 2 2 326.400 1.417 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000285960356 444163654 /nfs/dbraw/zinc/16/36/54/444163654.db2.gz WSDNTQUUBJFJBS-IRXDYDNUSA-N 2 2 326.400 1.417 20 0 EDADLP Cc1cc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nc(C)[nH+]1 ZINC000301411506 444170385 /nfs/dbraw/zinc/17/03/85/444170385.db2.gz PKJFYNGERCYRTL-QGZVFWFLSA-N 2 2 333.480 1.325 20 0 EDADLP Cc1cc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nc(C)[nH+]1 ZINC000301411506 444170388 /nfs/dbraw/zinc/17/03/88/444170388.db2.gz PKJFYNGERCYRTL-QGZVFWFLSA-N 2 2 333.480 1.325 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)cn1 ZINC000302244066 444211013 /nfs/dbraw/zinc/21/10/13/444211013.db2.gz ZETPYFKCAOMNCZ-UHFFFAOYSA-N 2 2 342.447 1.454 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000289866057 444213135 /nfs/dbraw/zinc/21/31/35/444213135.db2.gz GTKKDGYNUBOJAQ-IRXDYDNUSA-N 2 2 341.459 1.367 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](Cc3ccco3)CC1)C2 ZINC000289582741 444176576 /nfs/dbraw/zinc/17/65/76/444176576.db2.gz RJRPHWJBYXFBQN-HNNXBMFYSA-N 2 2 328.416 1.691 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000575898528 321533215 /nfs/dbraw/zinc/53/32/15/321533215.db2.gz FYZWJFSXEINQOE-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289682354 444189965 /nfs/dbraw/zinc/18/99/65/444189965.db2.gz JQZSSQLHMHXVEP-LRDDRELGSA-N 2 2 334.445 1.586 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNc2cc[nH+]cc2C(N)=O)nc[nH+]1 ZINC000302020972 444200798 /nfs/dbraw/zinc/20/07/98/444200798.db2.gz HZRORFHPJICUIR-NSHDSACASA-N 2 2 327.392 1.093 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNc2cc[nH+]cc2C(N)=O)[nH+]cn1 ZINC000302020972 444200799 /nfs/dbraw/zinc/20/07/99/444200799.db2.gz HZRORFHPJICUIR-NSHDSACASA-N 2 2 327.392 1.093 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783124 444203232 /nfs/dbraw/zinc/20/32/32/444203232.db2.gz LDNNQGPFUHYBNP-MOPGFXCFSA-N 2 2 345.487 1.726 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783124 444203233 /nfs/dbraw/zinc/20/32/33/444203233.db2.gz LDNNQGPFUHYBNP-MOPGFXCFSA-N 2 2 345.487 1.726 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783124 444203234 /nfs/dbraw/zinc/20/32/34/444203234.db2.gz LDNNQGPFUHYBNP-MOPGFXCFSA-N 2 2 345.487 1.726 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1)C1CC1 ZINC000289783124 444203235 /nfs/dbraw/zinc/20/32/35/444203235.db2.gz LDNNQGPFUHYBNP-MOPGFXCFSA-N 2 2 345.487 1.726 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3(O)CCCCC3)CC2)CC1 ZINC000304428612 444249671 /nfs/dbraw/zinc/24/96/71/444249671.db2.gz LNOVPOWGNYRHBR-UHFFFAOYSA-N 2 2 337.508 1.747 20 0 EDADLP [NH3+]CC[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(F)F ZINC000576582768 321579099 /nfs/dbraw/zinc/57/90/99/321579099.db2.gz DSNPBKHBXMAUJE-AWEZNQCLSA-N 2 2 327.375 1.231 20 0 EDADLP CC(C)N(C[C@H](C)O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000305017011 444255123 /nfs/dbraw/zinc/25/51/23/444255123.db2.gz FAZAOYFHIMKUMR-HNNXBMFYSA-N 2 2 340.512 1.346 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000577090583 321622483 /nfs/dbraw/zinc/62/24/83/321622483.db2.gz RJAMGJNZPGFRTO-UHFFFAOYSA-N 2 2 334.464 1.314 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)c1 ZINC000577095068 321622633 /nfs/dbraw/zinc/62/26/33/321622633.db2.gz JGSHOPRRJOSZPU-HQYGPGPXSA-N 2 2 345.443 1.682 20 0 EDADLP Cn1cc[nH+]c1CC1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000302917436 444231719 /nfs/dbraw/zinc/23/17/19/444231719.db2.gz WYOCUNCXICSCJA-UHFFFAOYSA-N 2 2 342.447 1.506 20 0 EDADLP Cn1cc[nH+]c1CC1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000302917436 444231723 /nfs/dbraw/zinc/23/17/23/444231723.db2.gz WYOCUNCXICSCJA-UHFFFAOYSA-N 2 2 342.447 1.506 20 0 EDADLP Cc1ccccc1OCCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000577215690 321633622 /nfs/dbraw/zinc/63/36/22/321633622.db2.gz ILIQXTHJELQWJN-KURKYZTESA-N 2 2 336.476 1.824 20 0 EDADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000290108294 444243366 /nfs/dbraw/zinc/24/33/66/444243366.db2.gz YFIAHPHOFAPTOA-JKSUJKDBSA-N 2 2 345.491 1.945 20 0 EDADLP c1nn(-c2cc[nH+]cc2)cc1-c1nc([C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000297692410 444319337 /nfs/dbraw/zinc/31/93/37/444319337.db2.gz LYUKHQWOTHFJAC-HNNXBMFYSA-N 2 2 338.371 1.853 20 0 EDADLP c1nn(-c2cc[nH+]cc2)cc1-c1nc([C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000297692410 444319338 /nfs/dbraw/zinc/31/93/38/444319338.db2.gz LYUKHQWOTHFJAC-HNNXBMFYSA-N 2 2 338.371 1.853 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000297700798 444320904 /nfs/dbraw/zinc/32/09/04/444320904.db2.gz AUDUITWKXHUYOH-ZIAGYGMSSA-N 2 2 327.388 1.016 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000297700798 444320905 /nfs/dbraw/zinc/32/09/05/444320905.db2.gz AUDUITWKXHUYOH-ZIAGYGMSSA-N 2 2 327.388 1.016 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309993414 444290800 /nfs/dbraw/zinc/29/08/00/444290800.db2.gz LLEVZFOJQGXQKH-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000309993414 444290803 /nfs/dbraw/zinc/29/08/03/444290803.db2.gz LLEVZFOJQGXQKH-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP COCC(=O)N1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310367140 444291591 /nfs/dbraw/zinc/29/15/91/444291591.db2.gz FNEVEWYSBCDTHP-IBGZPJMESA-N 2 2 345.487 1.878 20 0 EDADLP COCC(=O)N1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000310367140 444291594 /nfs/dbraw/zinc/29/15/94/444291594.db2.gz FNEVEWYSBCDTHP-IBGZPJMESA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000578013268 321708375 /nfs/dbraw/zinc/70/83/75/321708375.db2.gz KCPBABWDYJBXQU-LSDHHAIUSA-N 2 2 349.479 1.144 20 0 EDADLP COc1cc(Cl)ccc1C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000578186813 321734338 /nfs/dbraw/zinc/73/43/38/321734338.db2.gz CLTCEULJHUNSOI-XEZPLFJOSA-N 2 2 342.867 1.908 20 0 EDADLP CO[C@H]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340300365 444377113 /nfs/dbraw/zinc/37/71/13/444377113.db2.gz LOMMCYNFHVMWOH-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CO[C@H]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340300365 444377115 /nfs/dbraw/zinc/37/71/15/444377115.db2.gz LOMMCYNFHVMWOH-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[NH+]1CCCC1 ZINC000340473272 444392537 /nfs/dbraw/zinc/39/25/37/444392537.db2.gz NYIDMSJTNOCVFD-LBPRGKRZSA-N 2 2 328.254 1.685 20 0 EDADLP COC[C@@H]1CCN(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000337766515 444395548 /nfs/dbraw/zinc/39/55/48/444395548.db2.gz MWQQNAZUSDXAOE-HZPDHXFCSA-N 2 2 338.496 1.175 20 0 EDADLP COC[C@@H]1CCN(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000337766515 444395554 /nfs/dbraw/zinc/39/55/54/444395554.db2.gz MWQQNAZUSDXAOE-HZPDHXFCSA-N 2 2 338.496 1.175 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000580554271 322066365 /nfs/dbraw/zinc/06/63/65/322066365.db2.gz SVKGEEBPYDSQRH-GGPKGHCWSA-N 2 2 347.503 1.277 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000580554271 322066367 /nfs/dbraw/zinc/06/63/67/322066367.db2.gz SVKGEEBPYDSQRH-GGPKGHCWSA-N 2 2 347.503 1.277 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)CC2 ZINC000580650161 322078212 /nfs/dbraw/zinc/07/82/12/322078212.db2.gz HHPAXSMNHSHCQI-KBAYOESNSA-N 2 2 346.475 1.514 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)COC1CCC([NH3+])CC1 ZINC000580711927 322085984 /nfs/dbraw/zinc/08/59/84/322085984.db2.gz QRCVDKWFZQNLAK-UHFFFAOYSA-N 2 2 348.369 1.690 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000580893047 322109188 /nfs/dbraw/zinc/10/91/88/322109188.db2.gz SIVQBQFRNFQEGE-CQSZACIVSA-N 2 2 347.440 1.472 20 0 EDADLP Cc1ccc(C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)c1 ZINC000581359988 322168050 /nfs/dbraw/zinc/16/80/50/322168050.db2.gz OMFRECMJVYDING-MRXNPFEDSA-N 2 2 332.492 1.865 20 0 EDADLP Cc1ccc(C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)c1 ZINC000581359988 322168051 /nfs/dbraw/zinc/16/80/51/322168051.db2.gz OMFRECMJVYDING-MRXNPFEDSA-N 2 2 332.492 1.865 20 0 EDADLP CC(=O)[C@@](C)(O)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000581865591 322224960 /nfs/dbraw/zinc/22/49/60/322224960.db2.gz DCCMNUUIBDMLMI-ZBFHGGJFSA-N 2 2 337.489 1.769 20 0 EDADLP CC(=O)[C@@](C)(O)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000581865591 322224962 /nfs/dbraw/zinc/22/49/62/322224962.db2.gz DCCMNUUIBDMLMI-ZBFHGGJFSA-N 2 2 337.489 1.769 20 0 EDADLP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000581882013 322227942 /nfs/dbraw/zinc/22/79/42/322227942.db2.gz YVBTZABSTDPYJA-HUUCEWRRSA-N 2 2 328.420 1.898 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000581892034 322229888 /nfs/dbraw/zinc/22/98/88/322229888.db2.gz WMJPZQXWHMHLTD-GFCCVEGCSA-N 2 2 328.372 1.577 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000581892034 322229890 /nfs/dbraw/zinc/22/98/90/322229890.db2.gz WMJPZQXWHMHLTD-GFCCVEGCSA-N 2 2 328.372 1.577 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)n2c1 ZINC000329259795 444515383 /nfs/dbraw/zinc/51/53/83/444515383.db2.gz FMTMQKDCNYWRBR-PBHICJAKSA-N 2 2 349.456 1.469 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338189721 444556163 /nfs/dbraw/zinc/55/61/63/444556163.db2.gz GSAQVLBAXYIVQI-BRWVUGGUSA-N 2 2 337.508 1.961 20 0 EDADLP Cc1c[nH+]cn1C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329378508 444556377 /nfs/dbraw/zinc/55/63/77/444556377.db2.gz MOPZTDIIMLOSPN-UHFFFAOYSA-N 2 2 332.448 1.610 20 0 EDADLP Cc1ccc2c(C[NH+]3CCN(C(=O)C[NH+](C)C)CC3)ccc(O)c2n1 ZINC000338263991 444596734 /nfs/dbraw/zinc/59/67/34/444596734.db2.gz CSUFDJRMYYVVSR-UHFFFAOYSA-N 2 2 342.443 1.455 20 0 EDADLP c1cn2c([nH+]1)C[C@H](c1nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no1)CC2 ZINC000329662403 444671082 /nfs/dbraw/zinc/67/10/82/444671082.db2.gz JCMAXDPTPPSAQB-HZSPNIEDSA-N 2 2 329.404 1.922 20 0 EDADLP c1cn2c([nH+]1)C[C@H](c1nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)CC2 ZINC000329662403 444671084 /nfs/dbraw/zinc/67/10/84/444671084.db2.gz JCMAXDPTPPSAQB-HZSPNIEDSA-N 2 2 329.404 1.922 20 0 EDADLP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000343875679 444640684 /nfs/dbraw/zinc/64/06/84/444640684.db2.gz NQTCHYNRTMIZTG-ZDUSSCGKSA-N 2 2 326.391 1.446 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000341123076 444684844 /nfs/dbraw/zinc/68/48/44/444684844.db2.gz KRFPNSFJDZMHRP-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000341123076 444684850 /nfs/dbraw/zinc/68/48/50/444684850.db2.gz KRFPNSFJDZMHRP-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000341123076 444684856 /nfs/dbraw/zinc/68/48/56/444684856.db2.gz KRFPNSFJDZMHRP-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000341123076 444684860 /nfs/dbraw/zinc/68/48/60/444684860.db2.gz KRFPNSFJDZMHRP-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP CC1(C)COCCN1CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341334835 444783783 /nfs/dbraw/zinc/78/37/83/444783783.db2.gz BPMPXEYUYSPZKG-UHFFFAOYSA-N 2 2 332.492 1.746 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC[NH+](C4CCC4)CC3)nc[nH+]2)C1 ZINC000334055098 444763994 /nfs/dbraw/zinc/76/39/94/444763994.db2.gz UMYLGQKBSNVUNI-HUUCEWRRSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC[C@@H]1CCCO1 ZINC000342614240 444776855 /nfs/dbraw/zinc/77/68/55/444776855.db2.gz ZTFACRHNBGRHJF-KRWDZBQOSA-N 2 2 346.475 1.621 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC[C@@H]1CCCO1 ZINC000342614240 444776859 /nfs/dbraw/zinc/77/68/59/444776859.db2.gz ZTFACRHNBGRHJF-KRWDZBQOSA-N 2 2 346.475 1.621 20 0 EDADLP COC[C@@H](O)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338630724 444782983 /nfs/dbraw/zinc/78/29/83/444782983.db2.gz AZOSOERWQKFGCZ-KBPBESRZSA-N 2 2 325.478 1.437 20 0 EDADLP COC[C@@H](O)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338630724 444782986 /nfs/dbraw/zinc/78/29/86/444782986.db2.gz AZOSOERWQKFGCZ-KBPBESRZSA-N 2 2 325.478 1.437 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342766588 444856017 /nfs/dbraw/zinc/85/60/17/444856017.db2.gz WLGQEBYCSGYQGB-AWEZNQCLSA-N 2 2 342.390 1.180 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCC2CCOCC2)CC1 ZINC000336983116 444887295 /nfs/dbraw/zinc/88/72/95/444887295.db2.gz TVQUTZUIQVKRKS-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3cnc(OC)nc3C)CC2)c1 ZINC000337124223 444952833 /nfs/dbraw/zinc/95/28/33/444952833.db2.gz CZJZKZOVHPLKAY-UHFFFAOYSA-N 2 2 329.404 1.519 20 0 EDADLP CN(C)c1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c[nH+]1 ZINC000341721206 444969836 /nfs/dbraw/zinc/96/98/36/444969836.db2.gz JVVFKHZXCUDQCG-MRXNPFEDSA-N 2 2 348.516 1.981 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000341801583 445008569 /nfs/dbraw/zinc/00/85/69/445008569.db2.gz ONFUQCPXWPJWGU-SQWLQELKSA-N 2 2 332.448 1.121 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000341801583 445008574 /nfs/dbraw/zinc/00/85/74/445008574.db2.gz ONFUQCPXWPJWGU-SQWLQELKSA-N 2 2 332.448 1.121 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343079131 445047103 /nfs/dbraw/zinc/04/71/03/445047103.db2.gz OSVXNUXXLQMCJI-QUCCMNQESA-N 3 2 330.520 1.734 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343079131 445047106 /nfs/dbraw/zinc/04/71/06/445047106.db2.gz OSVXNUXXLQMCJI-QUCCMNQESA-N 3 2 330.520 1.734 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000341898492 445060247 /nfs/dbraw/zinc/06/02/47/445060247.db2.gz GNYSHUZFTKWEKQ-OAHLLOKOSA-N 2 2 337.489 1.361 20 0 EDADLP Cn1cc([C@@H](CO)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000341906061 445064957 /nfs/dbraw/zinc/06/49/57/445064957.db2.gz UJRLQTJRESIGDW-RTBURBONSA-N 2 2 344.459 1.334 20 0 EDADLP Cn1cc([C@@H](CO)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000341906061 445064962 /nfs/dbraw/zinc/06/49/62/445064962.db2.gz UJRLQTJRESIGDW-RTBURBONSA-N 2 2 344.459 1.334 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000344694098 445131279 /nfs/dbraw/zinc/13/12/79/445131279.db2.gz WVVNFMDJWYTQAY-MRXNPFEDSA-N 2 2 333.480 1.050 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000344694098 445131281 /nfs/dbraw/zinc/13/12/81/445131281.db2.gz WVVNFMDJWYTQAY-MRXNPFEDSA-N 2 2 333.480 1.050 20 0 EDADLP C[N@@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1Cc1ccccc1 ZINC000341948188 445088895 /nfs/dbraw/zinc/08/88/95/445088895.db2.gz WAGIOVDVKOQWEC-SLFFLAALSA-N 2 2 329.488 1.708 20 0 EDADLP C[N@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1Cc1ccccc1 ZINC000341948188 445088896 /nfs/dbraw/zinc/08/88/96/445088896.db2.gz WAGIOVDVKOQWEC-SLFFLAALSA-N 2 2 329.488 1.708 20 0 EDADLP C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1Cc1ccccc1 ZINC000341948188 445088898 /nfs/dbraw/zinc/08/88/98/445088898.db2.gz WAGIOVDVKOQWEC-SLFFLAALSA-N 2 2 329.488 1.708 20 0 EDADLP C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1Cc1ccccc1 ZINC000341948188 445088900 /nfs/dbraw/zinc/08/89/00/445088900.db2.gz WAGIOVDVKOQWEC-SLFFLAALSA-N 2 2 329.488 1.708 20 0 EDADLP CC[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339225676 445099475 /nfs/dbraw/zinc/09/94/75/445099475.db2.gz BINFXJRJSHVBSX-IRXDYDNUSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339225676 445099478 /nfs/dbraw/zinc/09/94/78/445099478.db2.gz BINFXJRJSHVBSX-IRXDYDNUSA-N 2 2 325.497 1.865 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](CCO)CC1)Cc1ccccc1Cl ZINC000339245390 445110803 /nfs/dbraw/zinc/11/08/03/445110803.db2.gz DLDYXZYPGWGZJY-UHFFFAOYSA-N 2 2 339.867 1.298 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](CCO)CC1)Cc1ccccc1Cl ZINC000339245390 445110806 /nfs/dbraw/zinc/11/08/06/445110806.db2.gz DLDYXZYPGWGZJY-UHFFFAOYSA-N 2 2 339.867 1.298 20 0 EDADLP CC[C@H](C(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339261292 445121134 /nfs/dbraw/zinc/12/11/34/445121134.db2.gz XZUHMMIXOBJVCC-IAGOWNOFSA-N 2 2 341.496 1.104 20 0 EDADLP CC[C@H](C(=O)NCCCC[NH+]1CCOCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339261292 445121137 /nfs/dbraw/zinc/12/11/37/445121137.db2.gz XZUHMMIXOBJVCC-IAGOWNOFSA-N 2 2 341.496 1.104 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000339265008 445123989 /nfs/dbraw/zinc/12/39/89/445123989.db2.gz PYYDFRUPBBSHFV-QGZVFWFLSA-N 2 2 349.479 1.085 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000339265008 445123993 /nfs/dbraw/zinc/12/39/93/445123993.db2.gz PYYDFRUPBBSHFV-QGZVFWFLSA-N 2 2 349.479 1.085 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000342099303 445171388 /nfs/dbraw/zinc/17/13/88/445171388.db2.gz JCZCGFUYKSAKOP-HNNXBMFYSA-N 2 2 347.459 1.838 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccnn2Cc2ccccc2Cl)CCC1 ZINC000342100368 445172184 /nfs/dbraw/zinc/17/21/84/445172184.db2.gz JYYJYUMJHLJIHI-UHFFFAOYSA-N 2 2 347.850 1.994 20 0 EDADLP Cc1cccn2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3c[nH+]cn3C)cnc12 ZINC000343396736 445215523 /nfs/dbraw/zinc/21/55/23/445215523.db2.gz UXKDHVSRMRIZDZ-RHSMWYFYSA-N 2 2 338.415 1.486 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346988785 445229221 /nfs/dbraw/zinc/22/92/21/445229221.db2.gz SSSZORZTWLRKGP-OAHLLOKOSA-N 2 2 325.478 1.205 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346988785 445229222 /nfs/dbraw/zinc/22/92/22/445229222.db2.gz SSSZORZTWLRKGP-OAHLLOKOSA-N 2 2 325.478 1.205 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000343497225 445234114 /nfs/dbraw/zinc/23/41/14/445234114.db2.gz KRWXYIVBVBHIIZ-QFBILLFUSA-N 3 2 344.503 1.504 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000343497225 445234116 /nfs/dbraw/zinc/23/41/16/445234116.db2.gz KRWXYIVBVBHIIZ-QFBILLFUSA-N 3 2 344.503 1.504 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000343514349 445237122 /nfs/dbraw/zinc/23/71/22/445237122.db2.gz JMMPHHKMXUZZCA-ZFWWWQNUSA-N 2 2 338.402 1.532 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCSCC2)CC[N@@H+]1CCOC ZINC000347442871 445238388 /nfs/dbraw/zinc/23/83/88/445238388.db2.gz DONPICISJNKGRJ-JKSUJKDBSA-N 2 2 343.537 1.383 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCSCC2)CC[N@H+]1CCOC ZINC000347442871 445238390 /nfs/dbraw/zinc/23/83/90/445238390.db2.gz DONPICISJNKGRJ-JKSUJKDBSA-N 2 2 343.537 1.383 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)CCC[NH+]2CCCC2)c1C ZINC000343619893 445266730 /nfs/dbraw/zinc/26/67/30/445266730.db2.gz KUMRMQVMEBPMCE-UHFFFAOYSA-N 2 2 336.480 1.981 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)c1C ZINC000343619893 445266733 /nfs/dbraw/zinc/26/67/33/445266733.db2.gz KUMRMQVMEBPMCE-UHFFFAOYSA-N 2 2 336.480 1.981 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)cc1OC ZINC000343576893 445248490 /nfs/dbraw/zinc/24/84/90/445248490.db2.gz TUGSDGAOFIRWLI-HOCLYGCPSA-N 2 2 349.475 1.640 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000343576893 445248493 /nfs/dbraw/zinc/24/84/93/445248493.db2.gz TUGSDGAOFIRWLI-HOCLYGCPSA-N 2 2 349.475 1.640 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCCO1 ZINC000348193309 445311739 /nfs/dbraw/zinc/31/17/39/445311739.db2.gz NIMLUUDMUSWBQD-HOCLYGCPSA-N 2 2 337.489 1.549 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)Cc2ncc(C[NH+](C)C)s2)C[C@H](C)O1 ZINC000348414085 445282900 /nfs/dbraw/zinc/28/29/00/445282900.db2.gz WYIYABCAIWGFSP-OKILXGFUSA-N 2 2 326.510 1.746 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)Cc2ncc(C[NH+](C)C)s2)C[C@H](C)O1 ZINC000348414085 445282904 /nfs/dbraw/zinc/28/29/04/445282904.db2.gz WYIYABCAIWGFSP-OKILXGFUSA-N 2 2 326.510 1.746 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2nc(C3CC3)no2)C[C@H]1n1cc[nH+]c1 ZINC000348255210 445329626 /nfs/dbraw/zinc/32/96/26/445329626.db2.gz HZUZYVXMZZIDBR-WCQYABFASA-N 2 2 330.392 1.087 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2nc(C3CC3)no2)C[C@H]1n1cc[nH+]c1 ZINC000348255210 445329629 /nfs/dbraw/zinc/32/96/29/445329629.db2.gz HZUZYVXMZZIDBR-WCQYABFASA-N 2 2 330.392 1.087 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849120 445342293 /nfs/dbraw/zinc/34/22/93/445342293.db2.gz FOTVQHBBEFLYLL-NEPJUHHUSA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849120 445342296 /nfs/dbraw/zinc/34/22/96/445342296.db2.gz FOTVQHBBEFLYLL-NEPJUHHUSA-N 2 2 337.420 1.320 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362398071 445359113 /nfs/dbraw/zinc/35/91/13/445359113.db2.gz QFGPIVRYZJHAEZ-RDJZCZTQSA-N 2 2 331.460 1.380 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362398071 445359119 /nfs/dbraw/zinc/35/91/19/445359119.db2.gz QFGPIVRYZJHAEZ-RDJZCZTQSA-N 2 2 331.460 1.380 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362398071 445359123 /nfs/dbraw/zinc/35/91/23/445359123.db2.gz QFGPIVRYZJHAEZ-RDJZCZTQSA-N 2 2 331.460 1.380 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362398071 445359127 /nfs/dbraw/zinc/35/91/27/445359127.db2.gz QFGPIVRYZJHAEZ-RDJZCZTQSA-N 2 2 331.460 1.380 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348237421 445324918 /nfs/dbraw/zinc/32/49/18/445324918.db2.gz CZLBLDSLYYIMIX-PMACEKPBSA-N 2 2 331.504 1.770 20 0 EDADLP O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000357074786 445408869 /nfs/dbraw/zinc/40/88/69/445408869.db2.gz NIXLIZJLNYBSKD-ZIAGYGMSSA-N 2 2 349.504 1.219 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357083076 445415822 /nfs/dbraw/zinc/41/58/22/445415822.db2.gz ILYVDOWRECDHBX-OALUTQOASA-N 2 2 345.487 1.769 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357083076 445415828 /nfs/dbraw/zinc/41/58/28/445415828.db2.gz ILYVDOWRECDHBX-OALUTQOASA-N 2 2 345.487 1.769 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1cccc(N2CCCC2=O)c1 ZINC000357090852 445421496 /nfs/dbraw/zinc/42/14/96/445421496.db2.gz SDHSWLQRAYLDKD-GJZGRUSLSA-N 2 2 342.443 1.293 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1cccc(N2CCCC2=O)c1 ZINC000357090852 445421500 /nfs/dbraw/zinc/42/15/00/445421500.db2.gz SDHSWLQRAYLDKD-GJZGRUSLSA-N 2 2 342.443 1.293 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357093267 445423162 /nfs/dbraw/zinc/42/31/62/445423162.db2.gz XTRDNXUXSPGBJE-VYDXJSESSA-N 2 2 340.471 1.756 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357093267 445423164 /nfs/dbraw/zinc/42/31/64/445423164.db2.gz XTRDNXUXSPGBJE-VYDXJSESSA-N 2 2 340.471 1.756 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000351992021 445423499 /nfs/dbraw/zinc/42/34/99/445423499.db2.gz AKJTYEKGAUTZNK-NUJGCVRESA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000351992021 445423506 /nfs/dbraw/zinc/42/35/06/445423506.db2.gz AKJTYEKGAUTZNK-NUJGCVRESA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000351992021 445423511 /nfs/dbraw/zinc/42/35/11/445423511.db2.gz AKJTYEKGAUTZNK-NUJGCVRESA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000351992021 445423517 /nfs/dbraw/zinc/42/35/17/445423517.db2.gz AKJTYEKGAUTZNK-NUJGCVRESA-N 2 2 331.460 1.438 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000354859241 445428806 /nfs/dbraw/zinc/42/88/06/445428806.db2.gz OIPOAOMHIWBXHZ-LSDHHAIUSA-N 2 2 346.406 1.851 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2ccsc2Cl)CN1CC[NH+]1CCOCC1 ZINC000359733975 445398599 /nfs/dbraw/zinc/39/85/99/445398599.db2.gz SZJOSDZDHDHKMO-CYBMUJFWSA-N 2 2 343.880 1.424 20 0 EDADLP Cc1n[nH]c(C)c1C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354911303 445432356 /nfs/dbraw/zinc/43/23/56/445432356.db2.gz ADBRNQRCNAJLIG-HUUCEWRRSA-N 2 2 334.443 1.804 20 0 EDADLP Cc1n[nH]c(C)c1C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354911303 445432361 /nfs/dbraw/zinc/43/23/61/445432361.db2.gz ADBRNQRCNAJLIG-HUUCEWRRSA-N 2 2 334.443 1.804 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000348901207 445434492 /nfs/dbraw/zinc/43/44/92/445434492.db2.gz PLJLQYWOKUXTFM-XMTFNYHQSA-N 2 2 339.524 1.970 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000348901207 445434496 /nfs/dbraw/zinc/43/44/96/445434496.db2.gz PLJLQYWOKUXTFM-XMTFNYHQSA-N 2 2 339.524 1.970 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000348901207 445434501 /nfs/dbraw/zinc/43/45/01/445434501.db2.gz PLJLQYWOKUXTFM-XMTFNYHQSA-N 2 2 339.524 1.970 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000348901207 445434504 /nfs/dbraw/zinc/43/45/04/445434504.db2.gz PLJLQYWOKUXTFM-XMTFNYHQSA-N 2 2 339.524 1.970 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000362565474 445442643 /nfs/dbraw/zinc/44/26/43/445442643.db2.gz BHIBGVVTFJIXDM-WBVHZDCISA-N 2 2 349.479 1.206 20 0 EDADLP NC(=O)C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352030678 445450280 /nfs/dbraw/zinc/45/02/80/445450280.db2.gz WYIRDASXNBJXPG-LJQANCHMSA-N 2 2 344.503 1.929 20 0 EDADLP NC(=O)C[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352030678 445450285 /nfs/dbraw/zinc/45/02/85/445450285.db2.gz WYIRDASXNBJXPG-LJQANCHMSA-N 2 2 344.503 1.929 20 0 EDADLP Cc1nc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000359846021 445457503 /nfs/dbraw/zinc/45/75/03/445457503.db2.gz CXRNJQUHODEULG-QGZVFWFLSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000359846021 445457508 /nfs/dbraw/zinc/45/75/08/445457508.db2.gz CXRNJQUHODEULG-QGZVFWFLSA-N 2 2 340.475 2.569 20 0 EDADLP OCc1cn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc3[nH+]ccn32)nn1 ZINC000349035794 445484009 /nfs/dbraw/zinc/48/40/09/445484009.db2.gz KHBBCPNTLCGGJJ-HOTGVXAUSA-N 2 2 326.404 1.692 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000357172280 445466436 /nfs/dbraw/zinc/46/64/36/445466436.db2.gz BZQUXQFJZNEZJW-FUHWJXTLSA-N 2 2 347.528 1.809 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000357172280 445466437 /nfs/dbraw/zinc/46/64/37/445466437.db2.gz BZQUXQFJZNEZJW-FUHWJXTLSA-N 2 2 347.528 1.809 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000362699810 445507582 /nfs/dbraw/zinc/50/75/82/445507582.db2.gz WUKMLDDMTKQREA-KRWDZBQOSA-N 2 2 342.418 1.770 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000362699810 445507585 /nfs/dbraw/zinc/50/75/85/445507585.db2.gz WUKMLDDMTKQREA-KRWDZBQOSA-N 2 2 342.418 1.770 20 0 EDADLP CC(=O)NCC[NH+](Cc1ccc(C)s1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352099079 445491975 /nfs/dbraw/zinc/49/19/75/445491975.db2.gz DGDYQJMEPQFUTK-INIZCTEOSA-N 2 2 339.505 1.450 20 0 EDADLP CC(=O)NCC[NH+](Cc1ccc(C)s1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352099079 445491977 /nfs/dbraw/zinc/49/19/77/445491977.db2.gz DGDYQJMEPQFUTK-INIZCTEOSA-N 2 2 339.505 1.450 20 0 EDADLP CC(=O)NCC[N@H+](Cc1ccc(C)s1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352099079 445491982 /nfs/dbraw/zinc/49/19/82/445491982.db2.gz DGDYQJMEPQFUTK-INIZCTEOSA-N 2 2 339.505 1.450 20 0 EDADLP CC(=O)NCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352099079 445491984 /nfs/dbraw/zinc/49/19/84/445491984.db2.gz DGDYQJMEPQFUTK-INIZCTEOSA-N 2 2 339.505 1.450 20 0 EDADLP CCN(CCOC)c1cccc(CN2CCO[C@H]3CC[N@H+](C)C[C@@H]32)[nH+]1 ZINC000352103531 445494328 /nfs/dbraw/zinc/49/43/28/445494328.db2.gz PHCCSFGAODCXSA-ROUUACIJSA-N 2 2 348.491 1.459 20 0 EDADLP CCN(CCOC)c1cccc(CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)[nH+]1 ZINC000352103531 445494330 /nfs/dbraw/zinc/49/43/30/445494330.db2.gz PHCCSFGAODCXSA-ROUUACIJSA-N 2 2 348.491 1.459 20 0 EDADLP COc1cccc(C=C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000357302089 445536184 /nfs/dbraw/zinc/53/61/84/445536184.db2.gz DISISYGROWUWIM-UHFFFAOYSA-N 2 2 343.471 1.948 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362837328 445574491 /nfs/dbraw/zinc/57/44/91/445574491.db2.gz LWEFNLZMFPQVBF-UHFFFAOYSA-N 2 2 347.507 1.413 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000360119153 445577305 /nfs/dbraw/zinc/57/73/05/445577305.db2.gz MWSLOFWXBCGTSI-UHFFFAOYSA-N 2 2 349.479 1.274 20 0 EDADLP CC[C@@H](C(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1)[NH+](C)C ZINC000362775223 445543945 /nfs/dbraw/zinc/54/39/45/445543945.db2.gz OFMUOFLYJJQGOM-INIZCTEOSA-N 2 2 329.448 1.988 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000355964360 445547727 /nfs/dbraw/zinc/54/77/27/445547727.db2.gz QBCCGCDUECNBLC-QGZVFWFLSA-N 2 2 341.544 1.383 20 0 EDADLP COCc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000362782708 445548056 /nfs/dbraw/zinc/54/80/56/445548056.db2.gz WESPDNYFISKVFM-PXNSSMCTSA-N 2 2 347.503 1.670 20 0 EDADLP COCc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000362782708 445548059 /nfs/dbraw/zinc/54/80/59/445548059.db2.gz WESPDNYFISKVFM-PXNSSMCTSA-N 2 2 347.503 1.670 20 0 EDADLP COCc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000362782708 445548064 /nfs/dbraw/zinc/54/80/64/445548064.db2.gz WESPDNYFISKVFM-PXNSSMCTSA-N 2 2 347.503 1.670 20 0 EDADLP COCc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000362782708 445548068 /nfs/dbraw/zinc/54/80/68/445548068.db2.gz WESPDNYFISKVFM-PXNSSMCTSA-N 2 2 347.503 1.670 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC1([NH+](C)C)CCCCC1)[NH+]1CCOCC1 ZINC000356097320 445619296 /nfs/dbraw/zinc/61/92/96/445619296.db2.gz UIZZEWYPTCDENZ-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000358522596 445632048 /nfs/dbraw/zinc/63/20/48/445632048.db2.gz RKQYAUCKCVIERO-NJAFHUGGSA-N 2 2 348.491 1.650 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000358522596 445632051 /nfs/dbraw/zinc/63/20/51/445632051.db2.gz RKQYAUCKCVIERO-NJAFHUGGSA-N 2 2 348.491 1.650 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000349775953 445674133 /nfs/dbraw/zinc/67/41/33/445674133.db2.gz KFDKCRUJXNZGPC-OAHLLOKOSA-N 2 2 331.420 1.244 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000349775953 445674135 /nfs/dbraw/zinc/67/41/35/445674135.db2.gz KFDKCRUJXNZGPC-OAHLLOKOSA-N 2 2 331.420 1.244 20 0 EDADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353627091 445681769 /nfs/dbraw/zinc/68/17/69/445681769.db2.gz JWTWERJEQGUTIH-ZBFHGGJFSA-N 2 2 326.444 1.994 20 0 EDADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353627091 445681770 /nfs/dbraw/zinc/68/17/70/445681770.db2.gz JWTWERJEQGUTIH-ZBFHGGJFSA-N 2 2 326.444 1.994 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000356232294 445689073 /nfs/dbraw/zinc/68/90/73/445689073.db2.gz VCZIICPTGOYYON-ZACQAIPSSA-N 2 2 340.512 1.326 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH+]1C ZINC000358694108 445721234 /nfs/dbraw/zinc/72/12/34/445721234.db2.gz PFAGJNGBNIOEBD-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H](C)[NH+]1C ZINC000358694108 445721239 /nfs/dbraw/zinc/72/12/39/445721239.db2.gz PFAGJNGBNIOEBD-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP Cc1nc(NCCCC[NH+]2CCN(c3ncccn3)CC2)cc[nH+]1 ZINC000361002365 445744346 /nfs/dbraw/zinc/74/43/46/445744346.db2.gz JHGCWXPUFBGUFG-UHFFFAOYSA-N 2 2 327.436 1.589 20 0 EDADLP CCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361118579 445750018 /nfs/dbraw/zinc/75/00/18/445750018.db2.gz WCEAURJDZXMRGS-HZPDHXFCSA-N 2 2 328.453 1.188 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CCO1 ZINC000363302954 445757911 /nfs/dbraw/zinc/75/79/11/445757911.db2.gz MUHJOMDVBNPKBC-QGZVFWFLSA-N 2 2 346.475 1.273 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CCO1 ZINC000363302954 445757912 /nfs/dbraw/zinc/75/79/12/445757912.db2.gz MUHJOMDVBNPKBC-QGZVFWFLSA-N 2 2 346.475 1.273 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CCO1 ZINC000363302954 445757914 /nfs/dbraw/zinc/75/79/14/445757914.db2.gz MUHJOMDVBNPKBC-QGZVFWFLSA-N 2 2 346.475 1.273 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CCO1 ZINC000363302954 445757919 /nfs/dbraw/zinc/75/79/19/445757919.db2.gz MUHJOMDVBNPKBC-QGZVFWFLSA-N 2 2 346.475 1.273 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358865575 445819320 /nfs/dbraw/zinc/81/93/20/445819320.db2.gz MZKSTVGCWJLBCV-KRWDZBQOSA-N 3 2 336.455 1.010 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000350148506 445780363 /nfs/dbraw/zinc/78/03/63/445780363.db2.gz CCIUMUOZPDSNOO-GJZGRUSLSA-N 2 2 338.452 1.743 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000350148506 445780365 /nfs/dbraw/zinc/78/03/65/445780365.db2.gz CCIUMUOZPDSNOO-GJZGRUSLSA-N 2 2 338.452 1.743 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000361582644 445831801 /nfs/dbraw/zinc/83/18/01/445831801.db2.gz MHHCNXJVQGAEEG-UHFFFAOYSA-N 2 2 328.420 1.408 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)N2CCn3cc[nH+]c3C2)ccc1F ZINC000350518402 445844350 /nfs/dbraw/zinc/84/43/50/445844350.db2.gz ZZRWIKHMHNLZOX-UHFFFAOYSA-N 2 2 331.395 1.809 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)NCCC3=CCCCC3)CC2)C1 ZINC000363539753 445850929 /nfs/dbraw/zinc/85/09/29/445850929.db2.gz ONODOSLLYCJQJX-IBGZPJMESA-N 2 2 348.535 1.705 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)NCCC3=CCCCC3)CC2)C1 ZINC000363539753 445850932 /nfs/dbraw/zinc/85/09/32/445850932.db2.gz ONODOSLLYCJQJX-IBGZPJMESA-N 2 2 348.535 1.705 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc(N(C)C)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354010878 445854411 /nfs/dbraw/zinc/85/44/11/445854411.db2.gz PLEWCPNSGDTXLE-ZBFHGGJFSA-N 2 2 337.537 1.667 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354010878 445854413 /nfs/dbraw/zinc/85/44/13/445854413.db2.gz PLEWCPNSGDTXLE-ZBFHGGJFSA-N 2 2 337.537 1.667 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CO)CC1 ZINC000350619809 445856611 /nfs/dbraw/zinc/85/66/11/445856611.db2.gz KFJWNFNPAYNFJL-HKUYNNGSSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CO)CC1 ZINC000350619809 445856616 /nfs/dbraw/zinc/85/66/16/445856616.db2.gz KFJWNFNPAYNFJL-HKUYNNGSSA-N 2 2 345.487 1.739 20 0 EDADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000356574164 445866376 /nfs/dbraw/zinc/86/63/76/445866376.db2.gz GZNQZLPEDORBAA-KRWDZBQOSA-N 2 2 347.507 1.322 20 0 EDADLP CCc1nc(C[NH+]2C[C@H]3CN(c4cc(C)[nH+]c(C)n4)C[C@@H]3C2)no1 ZINC000361769578 445929688 /nfs/dbraw/zinc/92/96/88/445929688.db2.gz UBYSQLMWFVSUIM-KBPBESRZSA-N 2 2 328.420 1.607 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000369105322 445932597 /nfs/dbraw/zinc/93/25/97/445932597.db2.gz VFHLVOKLBDDPJZ-MRXNPFEDSA-N 2 2 325.416 1.968 20 0 EDADLP C[NH+](C)[C@H](CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)c1ccccc1 ZINC000359017613 445889927 /nfs/dbraw/zinc/88/99/27/445889927.db2.gz CNCBEAFVNWQZKW-HUUCEWRRSA-N 2 2 327.388 1.176 20 0 EDADLP C[NH+](C)[C@H](CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)c1ccccc1 ZINC000359017613 445889931 /nfs/dbraw/zinc/88/99/31/445889931.db2.gz CNCBEAFVNWQZKW-HUUCEWRRSA-N 2 2 327.388 1.176 20 0 EDADLP O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000359018545 445891204 /nfs/dbraw/zinc/89/12/04/445891204.db2.gz LKNRAXMHNMBEBP-KGLIPLIRSA-N 2 2 343.387 1.303 20 0 EDADLP O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000359018545 445891207 /nfs/dbraw/zinc/89/12/07/445891207.db2.gz LKNRAXMHNMBEBP-KGLIPLIRSA-N 2 2 343.387 1.303 20 0 EDADLP C[C@@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC[NH2+]CC1 ZINC000361711754 445893426 /nfs/dbraw/zinc/89/34/26/445893426.db2.gz VCQDTGIKCXSTAE-HNNXBMFYSA-N 2 2 349.479 1.180 20 0 EDADLP C[NH+](C)Cc1cccc(CN2C(=O)N[C@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000359028071 445896288 /nfs/dbraw/zinc/89/62/88/445896288.db2.gz GQQKLSCSKHDWSD-OAHLLOKOSA-N 2 2 327.388 1.134 20 0 EDADLP C[NH+](C)Cc1cccc(CN2C(=O)N[C@H](Cc3c[nH]c[nH+]3)C2=O)c1 ZINC000359028071 445896290 /nfs/dbraw/zinc/89/62/90/445896290.db2.gz GQQKLSCSKHDWSD-OAHLLOKOSA-N 2 2 327.388 1.134 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2[nH+]1 ZINC000359060143 445918393 /nfs/dbraw/zinc/91/83/93/445918393.db2.gz MAVBFKOGRYHZSS-ZFWWWQNUSA-N 2 2 341.415 1.324 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)ccc2[nH+]1 ZINC000359060143 445918399 /nfs/dbraw/zinc/91/83/99/445918399.db2.gz MAVBFKOGRYHZSS-ZFWWWQNUSA-N 2 2 341.415 1.324 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000356724844 445968092 /nfs/dbraw/zinc/96/80/92/445968092.db2.gz HQZIENHGDNMQJR-HZPDHXFCSA-N 2 2 333.480 1.676 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000356724844 445968097 /nfs/dbraw/zinc/96/80/97/445968097.db2.gz HQZIENHGDNMQJR-HZPDHXFCSA-N 2 2 333.480 1.676 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000365027280 445980892 /nfs/dbraw/zinc/98/08/92/445980892.db2.gz GRAXLUXPHVKNAH-JYJNAYRXSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000365027280 445980897 /nfs/dbraw/zinc/98/08/97/445980897.db2.gz GRAXLUXPHVKNAH-JYJNAYRXSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]cn1 ZINC000365027280 445980903 /nfs/dbraw/zinc/98/09/03/445980903.db2.gz GRAXLUXPHVKNAH-JYJNAYRXSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]cn1 ZINC000365027280 445980909 /nfs/dbraw/zinc/98/09/09/445980909.db2.gz GRAXLUXPHVKNAH-JYJNAYRXSA-N 2 2 331.464 1.867 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369258527 446026030 /nfs/dbraw/zinc/02/60/30/446026030.db2.gz WKXQIBMRBIOYMM-YVSFHVDLSA-N 3 2 336.524 1.532 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369258527 446026033 /nfs/dbraw/zinc/02/60/33/446026033.db2.gz WKXQIBMRBIOYMM-YVSFHVDLSA-N 3 2 336.524 1.532 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258527 446026034 /nfs/dbraw/zinc/02/60/34/446026034.db2.gz WKXQIBMRBIOYMM-YVSFHVDLSA-N 3 2 336.524 1.532 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369258527 446026036 /nfs/dbraw/zinc/02/60/36/446026036.db2.gz WKXQIBMRBIOYMM-YVSFHVDLSA-N 3 2 336.524 1.532 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000354239633 446035371 /nfs/dbraw/zinc/03/53/71/446035371.db2.gz JHDNZEJADLKTOE-UHFFFAOYSA-N 2 2 334.468 1.349 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000354239633 446035376 /nfs/dbraw/zinc/03/53/76/446035376.db2.gz JHDNZEJADLKTOE-UHFFFAOYSA-N 2 2 334.468 1.349 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3ccccc3O)C2)CC1 ZINC000369275452 446040584 /nfs/dbraw/zinc/04/05/84/446040584.db2.gz XQKSVICQADHZFK-MRXNPFEDSA-N 2 2 331.460 1.610 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCc3ccccc3O)C2)CC1 ZINC000369275452 446040589 /nfs/dbraw/zinc/04/05/89/446040589.db2.gz XQKSVICQADHZFK-MRXNPFEDSA-N 2 2 331.460 1.610 20 0 EDADLP COc1cccc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369277925 446044602 /nfs/dbraw/zinc/04/46/02/446044602.db2.gz OHRMMSGDBGNFGG-OAHLLOKOSA-N 2 2 347.459 1.359 20 0 EDADLP COc1cccc(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369277925 446044610 /nfs/dbraw/zinc/04/46/10/446044610.db2.gz OHRMMSGDBGNFGG-OAHLLOKOSA-N 2 2 347.459 1.359 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000583089504 325999226 /nfs/dbraw/zinc/99/92/26/325999226.db2.gz SDTLGJPGLYNMJQ-HNNXBMFYSA-N 2 2 334.464 1.323 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)Cc1ccc(OC)c(F)c1 ZINC000583321522 326049846 /nfs/dbraw/zinc/04/98/46/326049846.db2.gz OKADESODLNIRDA-INWMFGNUSA-N 2 2 337.439 1.279 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)Cc1ccc(OC)c(F)c1 ZINC000583321522 326049847 /nfs/dbraw/zinc/04/98/47/326049847.db2.gz OKADESODLNIRDA-INWMFGNUSA-N 2 2 337.439 1.279 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000359223429 446053498 /nfs/dbraw/zinc/05/34/98/446053498.db2.gz RYLUOWBANQHLHG-LJQANCHMSA-N 2 2 344.503 1.648 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000583381590 326062194 /nfs/dbraw/zinc/06/21/94/326062194.db2.gz RIDVNZCJHLEXCP-DLBZAZTESA-N 2 2 326.868 1.680 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000583381590 326062198 /nfs/dbraw/zinc/06/21/98/326062198.db2.gz RIDVNZCJHLEXCP-DLBZAZTESA-N 2 2 326.868 1.680 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000583489078 326081863 /nfs/dbraw/zinc/08/18/63/326081863.db2.gz NWZKMEWWYYRLJS-CABCVRRESA-N 2 2 331.395 1.700 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@H]2SCCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000583614216 326104808 /nfs/dbraw/zinc/10/48/08/326104808.db2.gz JRMIOFVLQRQUNO-GOEBONIOSA-N 2 2 334.489 1.301 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@H]2SCCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000583614216 326104810 /nfs/dbraw/zinc/10/48/10/326104810.db2.gz JRMIOFVLQRQUNO-GOEBONIOSA-N 2 2 334.489 1.301 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000356836172 446057587 /nfs/dbraw/zinc/05/75/87/446057587.db2.gz HBWPEIJPTBZGPQ-QZTJIDSGSA-N 3 2 332.492 1.998 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000583937476 326169539 /nfs/dbraw/zinc/16/95/39/326169539.db2.gz NWWXXCMUUCKUKS-GJZGRUSLSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCCCCn3cc[nH+]c3)[nH+]cn2)C1 ZINC000584039877 326188096 /nfs/dbraw/zinc/18/80/96/326188096.db2.gz PEPBVOOYJSCUQZ-LSDHHAIUSA-N 2 2 330.436 1.773 20 0 EDADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000584169508 326212651 /nfs/dbraw/zinc/21/26/51/326212651.db2.gz BRPRUZOZCNHLKY-INMHGKMJSA-N 2 2 341.521 1.218 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCCCN2C(=O)c3ccccc3C2=O)n1C ZINC000584242885 326228125 /nfs/dbraw/zinc/22/81/25/326228125.db2.gz IAJIVOHOTOPOBX-UHFFFAOYSA-N 2 2 326.400 1.895 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366179079 446065684 /nfs/dbraw/zinc/06/56/84/446065684.db2.gz PGZQQWLINRBMLT-MRXNPFEDSA-N 2 2 338.496 1.412 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366179079 446065693 /nfs/dbraw/zinc/06/56/93/446065693.db2.gz PGZQQWLINRBMLT-MRXNPFEDSA-N 2 2 338.496 1.412 20 0 EDADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000356851899 446071348 /nfs/dbraw/zinc/07/13/48/446071348.db2.gz RDUSEGXWACICLC-NVXWUHKLSA-N 2 2 346.475 1.228 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccnn3Cc3cccs3)C[C@H]12 ZINC000351480203 446080366 /nfs/dbraw/zinc/08/03/66/446080366.db2.gz ULNKLTSVRNOTPG-VHDGCEQUSA-N 2 2 345.472 1.601 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccnn3Cc3cccs3)C[C@H]12 ZINC000351480203 446080373 /nfs/dbraw/zinc/08/03/73/446080373.db2.gz ULNKLTSVRNOTPG-VHDGCEQUSA-N 2 2 345.472 1.601 20 0 EDADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359304355 446136363 /nfs/dbraw/zinc/13/63/63/446136363.db2.gz KHZFGFPIIRZQSX-JFNPMQPZSA-N 2 2 331.504 1.812 20 0 EDADLP C[C@H]1CN(C(=O)CCc2ccncn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000365239409 446095206 /nfs/dbraw/zinc/09/52/06/446095206.db2.gz FAQRIYNXIYSGMD-HNNXBMFYSA-N 2 2 331.464 1.036 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000369353267 446095936 /nfs/dbraw/zinc/09/59/36/446095936.db2.gz BOWXBJQUJYRKKZ-VQIMIIECSA-N 2 2 348.535 1.488 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000369353267 446095939 /nfs/dbraw/zinc/09/59/39/446095939.db2.gz BOWXBJQUJYRKKZ-VQIMIIECSA-N 2 2 348.535 1.488 20 0 EDADLP COc1cc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)ccc1C ZINC000373205813 446096642 /nfs/dbraw/zinc/09/66/42/446096642.db2.gz RYUJXSZFCLIULL-IEBWSBKVSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)ccc1C ZINC000373205813 446096654 /nfs/dbraw/zinc/09/66/54/446096654.db2.gz RYUJXSZFCLIULL-IEBWSBKVSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)ccc1C ZINC000373205813 446096661 /nfs/dbraw/zinc/09/66/61/446096661.db2.gz RYUJXSZFCLIULL-IEBWSBKVSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)ccc1C ZINC000373205813 446096667 /nfs/dbraw/zinc/09/66/67/446096667.db2.gz RYUJXSZFCLIULL-IEBWSBKVSA-N 2 2 347.503 1.840 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359275057 446111029 /nfs/dbraw/zinc/11/10/29/446111029.db2.gz BOGBXBFREJTMAL-HRCADAONSA-N 2 2 346.450 1.014 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359275057 446111035 /nfs/dbraw/zinc/11/10/35/446111035.db2.gz BOGBXBFREJTMAL-HRCADAONSA-N 2 2 346.450 1.014 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000351515364 446118280 /nfs/dbraw/zinc/11/82/80/446118280.db2.gz BVCKBPFBLOSWJJ-DOTOQJQBSA-N 2 2 339.480 1.251 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000351515364 446118286 /nfs/dbraw/zinc/11/82/86/446118286.db2.gz BVCKBPFBLOSWJJ-DOTOQJQBSA-N 2 2 339.480 1.251 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)C(C)C ZINC000351516204 446119397 /nfs/dbraw/zinc/11/93/97/446119397.db2.gz WWNWVQHRGCWXAY-GDBMZVCRSA-N 2 2 327.469 1.106 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C(C)C ZINC000351516204 446119400 /nfs/dbraw/zinc/11/94/00/446119400.db2.gz WWNWVQHRGCWXAY-GDBMZVCRSA-N 2 2 327.469 1.106 20 0 EDADLP COC(=O)[C@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000351516204 446119404 /nfs/dbraw/zinc/11/94/04/446119404.db2.gz WWNWVQHRGCWXAY-GDBMZVCRSA-N 2 2 327.469 1.106 20 0 EDADLP COC(=O)[C@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000351516204 446119407 /nfs/dbraw/zinc/11/94/07/446119407.db2.gz WWNWVQHRGCWXAY-GDBMZVCRSA-N 2 2 327.469 1.106 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)C1CCCCC1 ZINC000351519524 446122500 /nfs/dbraw/zinc/12/25/00/446122500.db2.gz CHLHNUBOUXIWCR-IXDOHACOSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)C1CCCCC1 ZINC000351519524 446122503 /nfs/dbraw/zinc/12/25/03/446122503.db2.gz CHLHNUBOUXIWCR-IXDOHACOSA-N 2 2 338.496 1.221 20 0 EDADLP COc1ccc([C@H](NC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C(C)C)cc1 ZINC000359294124 446127494 /nfs/dbraw/zinc/12/74/94/446127494.db2.gz BAPIHAFNHIILPN-GPMSIDNRSA-N 2 2 331.460 1.660 20 0 EDADLP C[N@H+](CCOCC(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365292206 446130299 /nfs/dbraw/zinc/13/02/99/446130299.db2.gz KMYFWCMKZALVND-KRWDZBQOSA-N 2 2 328.403 1.837 20 0 EDADLP C[N@@H+](CCOCC(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365292206 446130301 /nfs/dbraw/zinc/13/03/01/446130301.db2.gz KMYFWCMKZALVND-KRWDZBQOSA-N 2 2 328.403 1.837 20 0 EDADLP C[NH+](CCOCC(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365292206 446130303 /nfs/dbraw/zinc/13/03/03/446130303.db2.gz KMYFWCMKZALVND-KRWDZBQOSA-N 2 2 328.403 1.837 20 0 EDADLP C[NH+](CCOCC(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000365292206 446130306 /nfs/dbraw/zinc/13/03/06/446130306.db2.gz KMYFWCMKZALVND-KRWDZBQOSA-N 2 2 328.403 1.837 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366354536 446170476 /nfs/dbraw/zinc/17/04/76/446170476.db2.gz NMFOIYPYRCFAIV-SJORKVTESA-N 2 2 349.479 1.558 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2cnn(C)c2C)CC1 ZINC000362051293 446180147 /nfs/dbraw/zinc/18/01/47/446180147.db2.gz AKPYVQHIROHJDP-RDJZCZTQSA-N 2 2 333.480 1.418 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]2c2cnn(C)c2C)CC1 ZINC000362051293 446180149 /nfs/dbraw/zinc/18/01/49/446180149.db2.gz AKPYVQHIROHJDP-RDJZCZTQSA-N 2 2 333.480 1.418 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C2 ZINC000365329027 446151333 /nfs/dbraw/zinc/15/13/33/446151333.db2.gz WWMVEQPNNICCBC-UHFFFAOYSA-N 2 2 345.422 1.889 20 0 EDADLP CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000362091488 446206400 /nfs/dbraw/zinc/20/64/00/446206400.db2.gz VKOGMHZTRASOBF-IBGZPJMESA-N 2 2 349.475 1.728 20 0 EDADLP CC(=O)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000365453980 446213776 /nfs/dbraw/zinc/21/37/76/446213776.db2.gz APHXUILKIZFMHT-UHFFFAOYSA-N 2 2 333.432 1.771 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373437360 446217780 /nfs/dbraw/zinc/21/77/80/446217780.db2.gz WDMVQADXGLXOND-CKEIUWERSA-N 2 2 335.473 1.237 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000365460249 446217982 /nfs/dbraw/zinc/21/79/82/446217982.db2.gz ROUDBYFIMVEQNR-DOMZBBRYSA-N 2 2 333.461 1.974 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000365460249 446217987 /nfs/dbraw/zinc/21/79/87/446217987.db2.gz ROUDBYFIMVEQNR-DOMZBBRYSA-N 2 2 333.461 1.974 20 0 EDADLP C[NH+]1CC[C@]2(CC[NH+](C/C=C/C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366484700 446233608 /nfs/dbraw/zinc/23/36/08/446233608.db2.gz ULOQFKMEGDQFBO-IGVYDEPUSA-N 4 2 332.536 1.598 20 0 EDADLP C[NH+]1CC[C@]2(CC[NH+](C/C=C/C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366484700 446233611 /nfs/dbraw/zinc/23/36/11/446233611.db2.gz ULOQFKMEGDQFBO-IGVYDEPUSA-N 4 2 332.536 1.598 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](C/C=C/C[NH+]3CC[C@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000366484700 446233614 /nfs/dbraw/zinc/23/36/14/446233614.db2.gz ULOQFKMEGDQFBO-IGVYDEPUSA-N 2 2 332.536 1.598 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](C/C=C/C[NH+]3CC[C@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000366484700 446233616 /nfs/dbraw/zinc/23/36/16/446233616.db2.gz ULOQFKMEGDQFBO-IGVYDEPUSA-N 2 2 332.536 1.598 20 0 EDADLP CO[C@@](C)(CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000362150107 446237320 /nfs/dbraw/zinc/23/73/20/446237320.db2.gz FRLDYYBCNAJZTP-SFHVURJKSA-N 2 2 340.512 1.469 20 0 EDADLP CO[C@@](C)(CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000362150107 446237322 /nfs/dbraw/zinc/23/73/22/446237322.db2.gz FRLDYYBCNAJZTP-SFHVURJKSA-N 2 2 340.512 1.469 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000365539454 446246359 /nfs/dbraw/zinc/24/63/59/446246359.db2.gz PNSTYIFKCSBXBH-BMFZPTHFSA-N 2 2 346.431 1.022 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000365539454 446246362 /nfs/dbraw/zinc/24/63/62/446246362.db2.gz PNSTYIFKCSBXBH-BMFZPTHFSA-N 2 2 346.431 1.022 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000365539454 446246363 /nfs/dbraw/zinc/24/63/63/446246363.db2.gz PNSTYIFKCSBXBH-BMFZPTHFSA-N 2 2 346.431 1.022 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)NC(=O)NCc1ccco1 ZINC000365539454 446246366 /nfs/dbraw/zinc/24/63/66/446246366.db2.gz PNSTYIFKCSBXBH-BMFZPTHFSA-N 2 2 346.431 1.022 20 0 EDADLP C[C@@H]1C[NH+](CCCCNc2cccc(-n3cc[nH+]c3)n2)C[C@@H](C)O1 ZINC000366527689 446249869 /nfs/dbraw/zinc/24/98/69/446249869.db2.gz XMIAKAKLWGAPPN-HZPDHXFCSA-N 2 2 329.448 2.569 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000365582366 446262401 /nfs/dbraw/zinc/26/24/01/446262401.db2.gz KGMRPGQVDBRZJL-HZPDHXFCSA-N 2 2 347.463 1.340 20 0 EDADLP Cc1nccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1 ZINC000373612400 446281342 /nfs/dbraw/zinc/28/13/42/446281342.db2.gz REUGDTTZWVKVAI-GOSISDBHSA-N 2 2 333.480 1.012 20 0 EDADLP Cc1nccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1 ZINC000373612400 446281345 /nfs/dbraw/zinc/28/13/45/446281345.db2.gz REUGDTTZWVKVAI-GOSISDBHSA-N 2 2 333.480 1.012 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc2c(c1)NC(=O)CO2 ZINC000362280949 446302127 /nfs/dbraw/zinc/30/21/27/446302127.db2.gz VKCVKRVXGRYCEW-LLVKDONJSA-N 2 2 329.404 1.668 20 0 EDADLP C[NH+](C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000373697614 446306078 /nfs/dbraw/zinc/30/60/78/446306078.db2.gz AZUBZZCKWCIEIF-BZUAXINKSA-N 2 2 341.496 1.942 20 0 EDADLP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000370525772 446318106 /nfs/dbraw/zinc/31/81/06/446318106.db2.gz HFVQJYMDYRJUFG-ZTRSQXPZSA-N 2 2 333.476 1.812 20 0 EDADLP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000370525772 446318109 /nfs/dbraw/zinc/31/81/09/446318109.db2.gz HFVQJYMDYRJUFG-ZTRSQXPZSA-N 2 2 333.476 1.812 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000373742448 446320615 /nfs/dbraw/zinc/32/06/15/446320615.db2.gz PRHWBYUKHYLDAO-UHFFFAOYSA-N 2 2 349.523 1.822 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H](C)O1 ZINC000370605533 446354686 /nfs/dbraw/zinc/35/46/86/446354686.db2.gz AEFULRCSSXNIHQ-MJBXVCDLSA-N 2 2 334.464 1.834 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H](C)O1 ZINC000370605533 446354690 /nfs/dbraw/zinc/35/46/90/446354690.db2.gz AEFULRCSSXNIHQ-MJBXVCDLSA-N 2 2 334.464 1.834 20 0 EDADLP [NH3+]C[C@H]1CCCN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417832645 446374395 /nfs/dbraw/zinc/37/43/95/446374395.db2.gz DIYAQTQZJQJYDC-MRXNPFEDSA-N 2 2 327.432 1.759 20 0 EDADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423117433 446429629 /nfs/dbraw/zinc/42/96/29/446429629.db2.gz VLMIEEOKCNTDIA-CVEARBPZSA-N 2 2 342.436 1.086 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000420249911 446432048 /nfs/dbraw/zinc/43/20/48/446432048.db2.gz YHYCZYMKKIRNAE-QGZVFWFLSA-N 2 2 341.459 1.446 20 0 EDADLP COCC1(CNc2nc(C)[nH+]c3ccc(OC)cc32)CC[NH2+]CC1 ZINC000420249997 446432091 /nfs/dbraw/zinc/43/20/91/446432091.db2.gz YRWHDNNOPUCRLM-UHFFFAOYSA-N 2 2 330.432 2.375 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1C ZINC000374896352 446443348 /nfs/dbraw/zinc/44/33/48/446443348.db2.gz KOJKUGPDQUMWQU-WBVHZDCISA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1C ZINC000374896352 446443356 /nfs/dbraw/zinc/44/33/56/446443356.db2.gz KOJKUGPDQUMWQU-WBVHZDCISA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1C ZINC000374896352 446443363 /nfs/dbraw/zinc/44/33/63/446443363.db2.gz KOJKUGPDQUMWQU-WBVHZDCISA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1C ZINC000374896352 446443371 /nfs/dbraw/zinc/44/33/71/446443371.db2.gz KOJKUGPDQUMWQU-WBVHZDCISA-N 2 2 334.464 1.589 20 0 EDADLP Cc1c([C@H]2[C@H]([NH2+]CC[NH+]3CCC(C)CC3)CC(=O)N2C)cnn1C ZINC000431970011 446445935 /nfs/dbraw/zinc/44/59/35/446445935.db2.gz OOZYCBOAAHMKLO-AEFFLSMTSA-N 2 2 333.480 1.322 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000370728509 446405599 /nfs/dbraw/zinc/40/55/99/446405599.db2.gz BDDGQBWFSXFNBB-XIRDDKMYSA-N 2 2 338.496 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000370728509 446405604 /nfs/dbraw/zinc/40/56/04/446405604.db2.gz BDDGQBWFSXFNBB-XIRDDKMYSA-N 2 2 338.496 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000370728509 446405610 /nfs/dbraw/zinc/40/56/10/446405610.db2.gz BDDGQBWFSXFNBB-XIRDDKMYSA-N 2 2 338.496 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000370728509 446405616 /nfs/dbraw/zinc/40/56/16/446405616.db2.gz BDDGQBWFSXFNBB-XIRDDKMYSA-N 2 2 338.496 1.221 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000370728508 446406247 /nfs/dbraw/zinc/40/62/47/446406247.db2.gz BDDGQBWFSXFNBB-UAGQMJEPSA-N 2 2 338.496 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000370728508 446406250 /nfs/dbraw/zinc/40/62/50/446406250.db2.gz BDDGQBWFSXFNBB-UAGQMJEPSA-N 2 2 338.496 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000370728508 446406252 /nfs/dbraw/zinc/40/62/52/446406252.db2.gz BDDGQBWFSXFNBB-UAGQMJEPSA-N 2 2 338.496 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000370728508 446406255 /nfs/dbraw/zinc/40/62/55/446406255.db2.gz BDDGQBWFSXFNBB-UAGQMJEPSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)[nH+]1 ZINC000411145989 446410041 /nfs/dbraw/zinc/41/00/41/446410041.db2.gz DGTISEFYLHRDPA-GJZGRUSLSA-N 2 2 330.432 1.688 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)[nH+]1 ZINC000411145989 446410044 /nfs/dbraw/zinc/41/00/44/446410044.db2.gz DGTISEFYLHRDPA-GJZGRUSLSA-N 2 2 330.432 1.688 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000376282380 446413261 /nfs/dbraw/zinc/41/32/61/446413261.db2.gz QPUXEVMXFCMEHC-INIZCTEOSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000376282380 446413265 /nfs/dbraw/zinc/41/32/65/446413265.db2.gz QPUXEVMXFCMEHC-INIZCTEOSA-N 2 2 334.464 1.402 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCCO[C@H](C[NH3+])C1 ZINC000420289809 446453901 /nfs/dbraw/zinc/45/39/01/446453901.db2.gz UOCNMEDRJGMABH-CYBMUJFWSA-N 2 2 329.400 1.966 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000420292741 446455846 /nfs/dbraw/zinc/45/58/46/446455846.db2.gz PVLIXLAGNPVBSO-YOEHRIQHSA-N 2 2 326.444 1.563 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000420292741 446455855 /nfs/dbraw/zinc/45/58/55/446455855.db2.gz PVLIXLAGNPVBSO-YOEHRIQHSA-N 2 2 326.444 1.563 20 0 EDADLP Cc1noc(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370820149 446458804 /nfs/dbraw/zinc/45/88/04/446458804.db2.gz NUWONLWIMIDULX-KRWDZBQOSA-N 2 2 348.491 1.851 20 0 EDADLP Cc1noc(C)c1CCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370820149 446458809 /nfs/dbraw/zinc/45/88/09/446458809.db2.gz NUWONLWIMIDULX-KRWDZBQOSA-N 2 2 348.491 1.851 20 0 EDADLP NC(=O)C[N@H+](CCC1CCCCC1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420296747 446458890 /nfs/dbraw/zinc/45/88/90/446458890.db2.gz DTBOIXWWKONCHJ-OALUTQOASA-N 2 2 347.503 1.675 20 0 EDADLP NC(=O)C[N@@H+](CCC1CCCCC1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420296747 446458899 /nfs/dbraw/zinc/45/88/99/446458899.db2.gz DTBOIXWWKONCHJ-OALUTQOASA-N 2 2 347.503 1.675 20 0 EDADLP CN(C(=O)[C@@H]1Cc2ccccc2O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829005 446463989 /nfs/dbraw/zinc/46/39/89/446463989.db2.gz CXSWAQOGSFGAQS-HKUYNNGSSA-N 2 2 343.471 1.617 20 0 EDADLP CN(C(=O)[C@@H]1Cc2ccccc2O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829005 446463993 /nfs/dbraw/zinc/46/39/93/446463993.db2.gz CXSWAQOGSFGAQS-HKUYNNGSSA-N 2 2 343.471 1.617 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000420311930 446476219 /nfs/dbraw/zinc/47/62/19/446476219.db2.gz WJBXJLWJOOMGQF-DZGCQCFKSA-N 2 2 340.489 1.635 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000420311930 446476225 /nfs/dbraw/zinc/47/62/25/446476225.db2.gz WJBXJLWJOOMGQF-DZGCQCFKSA-N 2 2 340.489 1.635 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCC[NH2+]C)[C@@H](C)C1 ZINC000418274843 446480375 /nfs/dbraw/zinc/48/03/75/446480375.db2.gz BRDUSTJBSPPXMY-INIZCTEOSA-N 2 2 348.491 1.911 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCC[NH2+]C)[C@@H](C)C1 ZINC000418274843 446480380 /nfs/dbraw/zinc/48/03/80/446480380.db2.gz BRDUSTJBSPPXMY-INIZCTEOSA-N 2 2 348.491 1.911 20 0 EDADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000420324781 446491919 /nfs/dbraw/zinc/49/19/19/446491919.db2.gz ZZNDSWYQAOXWSR-AEFFLSMTSA-N 2 2 330.476 1.610 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000420338860 446509739 /nfs/dbraw/zinc/50/97/39/446509739.db2.gz YDRQYRNYQSKYCD-INIZCTEOSA-N 2 2 331.460 1.929 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1C ZINC000420338860 446509745 /nfs/dbraw/zinc/50/97/45/446509745.db2.gz YDRQYRNYQSKYCD-INIZCTEOSA-N 2 2 331.460 1.929 20 0 EDADLP C[NH2+]CCNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418325871 446499354 /nfs/dbraw/zinc/49/93/54/446499354.db2.gz KBQJYVCSYBRUPX-AWEZNQCLSA-N 2 2 333.436 1.064 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1OCC(=O)N(C)C ZINC000423511246 446557999 /nfs/dbraw/zinc/55/79/99/446557999.db2.gz KGPDTUJZYRWZPX-DOTOQJQBSA-N 2 2 349.475 1.573 20 0 EDADLP O=c1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)nc2ccc(Cl)cn12 ZINC000420383255 446559626 /nfs/dbraw/zinc/55/96/26/446559626.db2.gz SPXXQGVQTCZUAT-QGZVFWFLSA-N 2 2 332.835 1.923 20 0 EDADLP O=c1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)nc2ccc(Cl)cn12 ZINC000420383255 446559631 /nfs/dbraw/zinc/55/96/31/446559631.db2.gz SPXXQGVQTCZUAT-QGZVFWFLSA-N 2 2 332.835 1.923 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)cn21 ZINC000420389398 446564498 /nfs/dbraw/zinc/56/44/98/446564498.db2.gz YFKBBLBJFPXXST-MRXNPFEDSA-N 2 2 325.420 1.530 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)cn21 ZINC000420389398 446564501 /nfs/dbraw/zinc/56/45/01/446564501.db2.gz YFKBBLBJFPXXST-MRXNPFEDSA-N 2 2 325.420 1.530 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418375472 446519135 /nfs/dbraw/zinc/51/91/35/446519135.db2.gz UBSFCXNOJFBMEN-KURKYZTESA-N 2 2 344.459 1.033 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418375472 446519141 /nfs/dbraw/zinc/51/91/41/446519141.db2.gz UBSFCXNOJFBMEN-KURKYZTESA-N 2 2 344.459 1.033 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418380896 446523104 /nfs/dbraw/zinc/52/31/04/446523104.db2.gz HTCNWRILQAJJLI-UONOGXRCSA-N 2 2 335.452 1.166 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)[nH+]1 ZINC000411412840 446527761 /nfs/dbraw/zinc/52/77/61/446527761.db2.gz CFKDCVZBFBAGAJ-DZGCQCFKSA-N 2 2 332.448 1.886 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)[nH+]1 ZINC000411412840 446527775 /nfs/dbraw/zinc/52/77/75/446527775.db2.gz CFKDCVZBFBAGAJ-DZGCQCFKSA-N 2 2 332.448 1.886 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000420392101 446567014 /nfs/dbraw/zinc/56/70/14/446567014.db2.gz UGKRECMRIAWTMH-HNNXBMFYSA-N 2 2 334.464 1.288 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000420392101 446567023 /nfs/dbraw/zinc/56/70/23/446567023.db2.gz UGKRECMRIAWTMH-HNNXBMFYSA-N 2 2 334.464 1.288 20 0 EDADLP Cc1ccc([C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c2cccs2)cc1 ZINC000420352885 446531470 /nfs/dbraw/zinc/53/14/70/446531470.db2.gz MYXFNDYHGILCKK-QAPCUYQASA-N 2 2 347.484 1.514 20 0 EDADLP Cc1ccc([C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c2cccs2)cc1 ZINC000420352885 446531479 /nfs/dbraw/zinc/53/14/79/446531479.db2.gz MYXFNDYHGILCKK-QAPCUYQASA-N 2 2 347.484 1.514 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433035876 446532288 /nfs/dbraw/zinc/53/22/88/446532288.db2.gz OFGWZZLVOOXDLF-ZBFHGGJFSA-N 2 2 337.468 1.671 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433035876 446532294 /nfs/dbraw/zinc/53/22/94/446532294.db2.gz OFGWZZLVOOXDLF-ZBFHGGJFSA-N 2 2 337.468 1.671 20 0 EDADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420354035 446532952 /nfs/dbraw/zinc/53/29/52/446532952.db2.gz NWPRVDAMKHKTDI-MNOVXSKESA-N 2 2 331.819 1.077 20 0 EDADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420354035 446532959 /nfs/dbraw/zinc/53/29/59/446532959.db2.gz NWPRVDAMKHKTDI-MNOVXSKESA-N 2 2 331.819 1.077 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000420355665 446535821 /nfs/dbraw/zinc/53/58/21/446535821.db2.gz CEKBWLITPVPIJF-VBHSOAQHSA-N 2 2 346.500 1.931 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000420354917 446536401 /nfs/dbraw/zinc/53/64/01/446536401.db2.gz DMANBRBSMSLMKO-CQSZACIVSA-N 2 2 334.489 1.918 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000420364722 446544075 /nfs/dbraw/zinc/54/40/75/446544075.db2.gz KOCYOLBBPDEJHX-GPMSIDNRSA-N 3 2 345.491 1.096 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000420364722 446544080 /nfs/dbraw/zinc/54/40/80/446544080.db2.gz KOCYOLBBPDEJHX-GPMSIDNRSA-N 2 2 345.491 1.096 20 0 EDADLP Cc1cc([C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)ccc1F ZINC000420368358 446546669 /nfs/dbraw/zinc/54/66/69/446546669.db2.gz WQMUIPFRUXFQFL-QGZVFWFLSA-N 2 2 335.423 1.329 20 0 EDADLP Cc1cc([C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)ccc1F ZINC000420368358 446546673 /nfs/dbraw/zinc/54/66/73/446546673.db2.gz WQMUIPFRUXFQFL-QGZVFWFLSA-N 2 2 335.423 1.329 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420377831 446554587 /nfs/dbraw/zinc/55/45/87/446554587.db2.gz LJJMVZNRSUZKIL-MCIONIFRSA-N 2 2 333.432 1.702 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420377831 446554590 /nfs/dbraw/zinc/55/45/90/446554590.db2.gz LJJMVZNRSUZKIL-MCIONIFRSA-N 2 2 333.432 1.702 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000418470418 446556663 /nfs/dbraw/zinc/55/66/63/446556663.db2.gz LIBCORQUCGRCPU-UONOGXRCSA-N 2 2 340.493 1.358 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCCOc1cccc(F)c1 ZINC000420381236 446557356 /nfs/dbraw/zinc/55/73/56/446557356.db2.gz CMRASTNMYMXOPK-YJBOKZPZSA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCCOc1cccc(F)c1 ZINC000420381236 446557357 /nfs/dbraw/zinc/55/73/57/446557357.db2.gz CMRASTNMYMXOPK-YJBOKZPZSA-N 2 2 349.450 1.785 20 0 EDADLP CC[NH+](CC)CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371078201 446614197 /nfs/dbraw/zinc/61/41/97/446614197.db2.gz FFBAIABBYRHOAB-UHFFFAOYSA-N 3 2 338.540 1.641 20 0 EDADLP C[C@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000371083856 446618450 /nfs/dbraw/zinc/61/84/50/446618450.db2.gz AAZNSDVJGNSRDX-MPGHIAIKSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000371083856 446618451 /nfs/dbraw/zinc/61/84/51/446618451.db2.gz AAZNSDVJGNSRDX-MPGHIAIKSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[C@H](C)[C@@H](C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)O1 ZINC000423566014 446577809 /nfs/dbraw/zinc/57/78/09/446577809.db2.gz BTCNWRQQCBEKEJ-IVSAIRAKSA-N 2 2 346.475 1.704 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(=O)OC ZINC000420404726 446578749 /nfs/dbraw/zinc/57/87/49/446578749.db2.gz SKCCPWBVENFYAY-IVSAIRAKSA-N 2 2 339.480 1.154 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(=O)OC ZINC000420404726 446578753 /nfs/dbraw/zinc/57/87/53/446578753.db2.gz SKCCPWBVENFYAY-IVSAIRAKSA-N 2 2 339.480 1.154 20 0 EDADLP COC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(C)o1 ZINC000411511695 446578736 /nfs/dbraw/zinc/57/87/36/446578736.db2.gz JQZPTCPXNQDQHC-INIZCTEOSA-N 2 2 337.464 1.854 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCc3ccc(C)cc3)CC2)C1 ZINC000371020067 446579439 /nfs/dbraw/zinc/57/94/39/446579439.db2.gz STEUKGRGIMMPNI-FQEVSTJZSA-N 2 2 331.504 1.876 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCc3ccc(C)cc3)CC2)C1 ZINC000371020067 446579448 /nfs/dbraw/zinc/57/94/48/446579448.db2.gz STEUKGRGIMMPNI-FQEVSTJZSA-N 2 2 331.504 1.876 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000367728357 446580666 /nfs/dbraw/zinc/58/06/66/446580666.db2.gz LIGXCCQIAYMWNE-MAUKXSAKSA-N 2 2 331.460 1.683 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCc2c[nH+]c3n2CCCC3)CCO1 ZINC000375119371 446592644 /nfs/dbraw/zinc/59/26/44/446592644.db2.gz OPUYAILIVWCXNS-UHFFFAOYSA-N 2 2 335.452 1.129 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCc2c[nH+]c3n2CCCC3)CCO1 ZINC000375119371 446592653 /nfs/dbraw/zinc/59/26/53/446592653.db2.gz OPUYAILIVWCXNS-UHFFFAOYSA-N 2 2 335.452 1.129 20 0 EDADLP CCCCNc1cc(N(C)C[C@@H]2CCc3[nH+]ccn3C2)nc(N)[nH+]1 ZINC000367814435 446593789 /nfs/dbraw/zinc/59/37/89/446593789.db2.gz NEHYMKKJMDNHHS-ZDUSSCGKSA-N 2 2 329.452 2.166 20 0 EDADLP CCCCNc1cc(N(C)C[C@@H]2CCc3[nH+]ccn3C2)[nH+]c(N)n1 ZINC000367814435 446593795 /nfs/dbraw/zinc/59/37/95/446593795.db2.gz NEHYMKKJMDNHHS-ZDUSSCGKSA-N 2 2 329.452 2.166 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000371089489 446620484 /nfs/dbraw/zinc/62/04/84/446620484.db2.gz UDLVCCKXTDXNSX-PBHICJAKSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371089489 446620491 /nfs/dbraw/zinc/62/04/91/446620491.db2.gz UDLVCCKXTDXNSX-PBHICJAKSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418691229 446650908 /nfs/dbraw/zinc/65/09/08/446650908.db2.gz DIZRYCMUEOGVKR-VOAKCMCISA-N 2 2 328.457 1.695 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418691229 446650911 /nfs/dbraw/zinc/65/09/11/446650911.db2.gz DIZRYCMUEOGVKR-VOAKCMCISA-N 2 2 328.457 1.695 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000371097526 446626654 /nfs/dbraw/zinc/62/66/54/446626654.db2.gz FWKUBGGNUKQWNO-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000371097526 446626660 /nfs/dbraw/zinc/62/66/60/446626660.db2.gz FWKUBGGNUKQWNO-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)CC1 ZINC000371097526 446626664 /nfs/dbraw/zinc/62/66/64/446626664.db2.gz FWKUBGGNUKQWNO-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)CC1 ZINC000371097526 446626671 /nfs/dbraw/zinc/62/66/71/446626671.db2.gz FWKUBGGNUKQWNO-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP CC(C)[C@H](CNc1nc(N[C@H]2CCCOC2)cc[nH+]1)[NH+]1CCOCC1 ZINC000435344421 446690137 /nfs/dbraw/zinc/69/01/37/446690137.db2.gz VMYARWLMXKMNOQ-HOTGVXAUSA-N 2 2 349.479 1.836 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000376750629 446695479 /nfs/dbraw/zinc/69/54/79/446695479.db2.gz UBKASXBNVZVYJF-IAGOWNOFSA-N 2 2 332.448 1.548 20 0 EDADLP CC(C)(C[NH3+])C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423769426 446696087 /nfs/dbraw/zinc/69/60/87/446696087.db2.gz FFVLVXINUYLYER-UHFFFAOYSA-N 2 2 341.459 1.501 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435627506 446703886 /nfs/dbraw/zinc/70/38/86/446703886.db2.gz RRUBFDBZLVMFBN-INIZCTEOSA-N 2 2 349.475 1.436 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435627506 446703894 /nfs/dbraw/zinc/70/38/94/446703894.db2.gz RRUBFDBZLVMFBN-INIZCTEOSA-N 2 2 349.475 1.436 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000423816570 446705853 /nfs/dbraw/zinc/70/58/53/446705853.db2.gz KDCDDQQFOTZHQY-CQSZACIVSA-N 2 2 337.489 1.722 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000371237369 446708194 /nfs/dbraw/zinc/70/81/94/446708194.db2.gz SYNAHZAHTBLVCF-CABCVRRESA-N 2 2 328.420 1.831 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423822466 446712431 /nfs/dbraw/zinc/71/24/31/446712431.db2.gz IRGFTJKVZGFVRG-NUTKFTJISA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423822466 446712434 /nfs/dbraw/zinc/71/24/34/446712434.db2.gz IRGFTJKVZGFVRG-NUTKFTJISA-N 2 2 339.386 1.205 20 0 EDADLP COc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cn1 ZINC000436019778 446720985 /nfs/dbraw/zinc/72/09/85/446720985.db2.gz CTLZBMQIBRFUER-INIZCTEOSA-N 2 2 327.432 2.238 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)nc2)CC1 ZINC000368231591 446726582 /nfs/dbraw/zinc/72/65/82/446726582.db2.gz MJLLSIAJKODWAN-OAHLLOKOSA-N 2 2 340.431 1.546 20 0 EDADLP COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000411914224 446728470 /nfs/dbraw/zinc/72/84/70/446728470.db2.gz TUDSIOYYAXDGJH-KCXAZCMYSA-N 2 2 344.415 1.485 20 0 EDADLP COC[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000411914224 446728477 /nfs/dbraw/zinc/72/84/77/446728477.db2.gz TUDSIOYYAXDGJH-KCXAZCMYSA-N 2 2 344.415 1.485 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000423853303 446731470 /nfs/dbraw/zinc/73/14/70/446731470.db2.gz WOWRGEKLAUBFOW-KRWDZBQOSA-N 2 2 344.459 1.289 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000423910255 446759441 /nfs/dbraw/zinc/75/94/41/446759441.db2.gz FMORHNAAWOHZME-ZDUSSCGKSA-N 2 2 331.794 1.797 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000423910255 446759447 /nfs/dbraw/zinc/75/94/47/446759447.db2.gz FMORHNAAWOHZME-ZDUSSCGKSA-N 2 2 331.794 1.797 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[NH2+]CC2CC2)on1 ZINC000423923639 446773173 /nfs/dbraw/zinc/77/31/73/446773173.db2.gz KXUSPTXBEQTUHO-GJZGRUSLSA-N 2 2 338.427 1.353 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[NH2+]CC2CC2)on1 ZINC000423923639 446773182 /nfs/dbraw/zinc/77/31/82/446773182.db2.gz KXUSPTXBEQTUHO-GJZGRUSLSA-N 2 2 338.427 1.353 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c2n1CCCC2 ZINC000376885201 446777778 /nfs/dbraw/zinc/77/77/78/446777778.db2.gz CSQCHVLKFCBACX-ZIAGYGMSSA-N 2 2 349.479 1.124 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c2n1CCCC2 ZINC000376885201 446777782 /nfs/dbraw/zinc/77/77/82/446777782.db2.gz CSQCHVLKFCBACX-ZIAGYGMSSA-N 2 2 349.479 1.124 20 0 EDADLP O=C(C[C@H]1CC[NH2+]C1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423929309 446780750 /nfs/dbraw/zinc/78/07/50/446780750.db2.gz MEZXEOKBBHVNHI-CVEARBPZSA-N 2 2 344.459 1.661 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C1(C)C[NH2+]C1 ZINC000423930078 446781586 /nfs/dbraw/zinc/78/15/86/446781586.db2.gz VRRIPUGDVGHDBB-STQMWFEESA-N 2 2 340.468 1.432 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C1(C)C[NH2+]C1 ZINC000423930078 446781594 /nfs/dbraw/zinc/78/15/94/446781594.db2.gz VRRIPUGDVGHDBB-STQMWFEESA-N 2 2 340.468 1.432 20 0 EDADLP O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)N1CC[NH+](C2CCC2)CC1 ZINC000371348260 446795926 /nfs/dbraw/zinc/79/59/26/446795926.db2.gz UNLWBWOZLNFHPQ-MRXNPFEDSA-N 2 2 343.475 1.930 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000423992819 446813802 /nfs/dbraw/zinc/81/38/02/446813802.db2.gz KHKMXAWQUUVXJT-INMHGKMJSA-N 2 2 331.464 1.143 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000423992819 446813808 /nfs/dbraw/zinc/81/38/08/446813808.db2.gz KHKMXAWQUUVXJT-INMHGKMJSA-N 2 2 331.464 1.143 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000368457811 446874549 /nfs/dbraw/zinc/87/45/49/446874549.db2.gz LHROWKCYNQWBPZ-MRXNPFEDSA-N 2 2 348.447 1.274 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000368457811 446874555 /nfs/dbraw/zinc/87/45/55/446874555.db2.gz LHROWKCYNQWBPZ-MRXNPFEDSA-N 2 2 348.447 1.274 20 0 EDADLP O=C1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C2CC2)N1 ZINC000420958021 446927077 /nfs/dbraw/zinc/92/70/77/446927077.db2.gz DLZYJJHLDRMSGX-ICSRJNTNSA-N 2 2 343.471 1.666 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]23CCOC3)CC1 ZINC000421020843 446992990 /nfs/dbraw/zinc/99/29/90/446992990.db2.gz 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Cn1ncnc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266486 447028564 /nfs/dbraw/zinc/02/85/64/447028564.db2.gz KTIFNHGUAUEUQJ-UHFFFAOYSA-N 3 2 334.512 1.443 20 0 EDADLP Cn1ncnc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377266486 447028571 /nfs/dbraw/zinc/02/85/71/447028571.db2.gz KTIFNHGUAUEUQJ-UHFFFAOYSA-N 3 2 334.512 1.443 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncnn1C ZINC000377266486 447028576 /nfs/dbraw/zinc/02/85/76/447028576.db2.gz KTIFNHGUAUEUQJ-UHFFFAOYSA-N 2 2 334.512 1.443 20 0 EDADLP C[C@H](O)CNc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)nc[nH+]1 ZINC000413138292 447028904 /nfs/dbraw/zinc/02/89/04/447028904.db2.gz ZYGCZPQIDILWGW-ZDUSSCGKSA-N 2 2 330.436 1.462 20 0 EDADLP C[C@H](O)CNc1cc(N2CCC(Cc3[nH+]ccn3C)CC2)[nH+]cn1 ZINC000413138292 447028907 /nfs/dbraw/zinc/02/89/07/447028907.db2.gz ZYGCZPQIDILWGW-ZDUSSCGKSA-N 2 2 330.436 1.462 20 0 EDADLP CC1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)CC1 ZINC000372518677 447104110 /nfs/dbraw/zinc/10/41/10/447104110.db2.gz 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ZINC000427730018 447639608 /nfs/dbraw/zinc/63/96/08/447639608.db2.gz CWJMZDBSLHLCEU-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000427730018 447639612 /nfs/dbraw/zinc/63/96/12/447639612.db2.gz CWJMZDBSLHLCEU-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000427730018 447639615 /nfs/dbraw/zinc/63/96/15/447639615.db2.gz CWJMZDBSLHLCEU-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000427730018 447639618 /nfs/dbraw/zinc/63/96/18/447639618.db2.gz CWJMZDBSLHLCEU-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407308979 447614399 /nfs/dbraw/zinc/61/43/99/447614399.db2.gz DZBCJOFRMQZRGH-OALUTQOASA-N 2 2 343.471 1.666 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000422535722 447623754 /nfs/dbraw/zinc/62/37/54/447623754.db2.gz CDNRIDURSXAFOI-HUUCEWRRSA-N 2 2 347.463 1.167 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000422535722 447623757 /nfs/dbraw/zinc/62/37/57/447623757.db2.gz CDNRIDURSXAFOI-HUUCEWRRSA-N 2 2 347.463 1.167 20 0 EDADLP COC(=O)[C@@H]([N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1(OC)CCC1 ZINC000459392802 447650571 /nfs/dbraw/zinc/65/05/71/447650571.db2.gz QGOKSDQRYDYSRU-GDBMZVCRSA-N 2 2 335.448 1.785 20 0 EDADLP COC(=O)[C@@H]([N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1(OC)CCC1 ZINC000459392802 447650577 /nfs/dbraw/zinc/65/05/77/447650577.db2.gz QGOKSDQRYDYSRU-GDBMZVCRSA-N 2 2 335.448 1.785 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000416881996 447700651 /nfs/dbraw/zinc/70/06/51/447700651.db2.gz HOYIAUVBPACFNR-RDJZCZTQSA-N 2 2 334.464 1.405 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000428456009 447702071 /nfs/dbraw/zinc/70/20/71/447702071.db2.gz GSGPAOSZKJKCDS-GDBMZVCRSA-N 2 2 331.464 1.988 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000428456009 447702074 /nfs/dbraw/zinc/70/20/74/447702074.db2.gz GSGPAOSZKJKCDS-GDBMZVCRSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000416907248 447703584 /nfs/dbraw/zinc/70/35/84/447703584.db2.gz BGZOETGQMNTSEU-GOSISDBHSA-N 2 2 345.422 1.774 20 0 EDADLP COC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451204012 447703712 /nfs/dbraw/zinc/70/37/12/447703712.db2.gz UYBGNWJJNKDSAW-LPHOPBHVSA-N 2 2 346.475 1.477 20 0 EDADLP COC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451204012 447703718 /nfs/dbraw/zinc/70/37/18/447703718.db2.gz UYBGNWJJNKDSAW-LPHOPBHVSA-N 2 2 346.475 1.477 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422585246 447655061 /nfs/dbraw/zinc/65/50/61/447655061.db2.gz CACMQZPCNUIMDD-MRXNPFEDSA-N 2 2 332.448 1.257 20 0 EDADLP O[C@@]1(C[NH2+]Cc2cn3cccnc3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000459421396 447661266 /nfs/dbraw/zinc/66/12/66/447661266.db2.gz CGUDQOLFDJTLRA-LJQANCHMSA-N 2 2 337.427 1.456 20 0 EDADLP O[C@@]1(C[NH2+]Cc2cn3cccnc3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459421396 447661270 /nfs/dbraw/zinc/66/12/70/447661270.db2.gz CGUDQOLFDJTLRA-LJQANCHMSA-N 2 2 337.427 1.456 20 0 EDADLP CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000495948379 447666940 /nfs/dbraw/zinc/66/69/40/447666940.db2.gz UJPOOBCDIBUJCE-INIZCTEOSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000495948379 447666945 /nfs/dbraw/zinc/66/69/45/447666945.db2.gz UJPOOBCDIBUJCE-INIZCTEOSA-N 2 2 341.496 1.773 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422641952 447685171 /nfs/dbraw/zinc/68/51/71/447685171.db2.gz YTSDRMUFOAUTQU-KKUMJFAQSA-N 2 2 347.459 1.741 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422641952 447685175 /nfs/dbraw/zinc/68/51/75/447685175.db2.gz YTSDRMUFOAUTQU-KKUMJFAQSA-N 2 2 347.459 1.741 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416995850 447729720 /nfs/dbraw/zinc/72/97/20/447729720.db2.gz PNNZIHGGDOXBPB-WMLDXEAASA-N 2 2 327.432 1.729 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000422724624 447730161 /nfs/dbraw/zinc/73/01/61/447730161.db2.gz WGFAKCWAOAVJRF-MJGOQNOKSA-N 3 2 333.476 1.615 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496290861 447753150 /nfs/dbraw/zinc/75/31/50/447753150.db2.gz HEOZWKQCQBNJNF-JKSUJKDBSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496290861 447753153 /nfs/dbraw/zinc/75/31/53/447753153.db2.gz HEOZWKQCQBNJNF-JKSUJKDBSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000496290861 447753155 /nfs/dbraw/zinc/75/31/55/447753155.db2.gz HEOZWKQCQBNJNF-JKSUJKDBSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496290861 447753158 /nfs/dbraw/zinc/75/31/58/447753158.db2.gz HEOZWKQCQBNJNF-JKSUJKDBSA-N 2 2 341.496 1.773 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430543720 447775576 /nfs/dbraw/zinc/77/55/76/447775576.db2.gz FEZGKWJKXKRNKI-KGLIPLIRSA-N 2 2 339.867 1.894 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430543720 447775578 /nfs/dbraw/zinc/77/55/78/447775578.db2.gz FEZGKWJKXKRNKI-KGLIPLIRSA-N 2 2 339.867 1.894 20 0 EDADLP CC[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422937147 447776607 /nfs/dbraw/zinc/77/66/07/447776607.db2.gz NNCSWJBMMHAYBQ-SJORKVTESA-N 2 2 339.505 1.616 20 0 EDADLP CC[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422937144 447776783 /nfs/dbraw/zinc/77/67/83/447776783.db2.gz NNCSWJBMMHAYBQ-DLBZAZTESA-N 2 2 339.505 1.616 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000430554009 447777721 /nfs/dbraw/zinc/77/77/21/447777721.db2.gz MAOZNGNRIPXBDC-MRXNPFEDSA-N 2 2 328.478 1.774 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000430554009 447777724 /nfs/dbraw/zinc/77/77/24/447777724.db2.gz MAOZNGNRIPXBDC-MRXNPFEDSA-N 2 2 328.478 1.774 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953555 447779767 /nfs/dbraw/zinc/77/97/67/447779767.db2.gz FPHYWLGQOUENIX-IRXDYDNUSA-N 2 2 349.500 1.941 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430578283 447780345 /nfs/dbraw/zinc/78/03/45/447780345.db2.gz AQFWTMUOGMIMGF-KRWDZBQOSA-N 2 2 341.402 1.963 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)cc(C)[nH+]1 ZINC000422969510 447784251 /nfs/dbraw/zinc/78/42/51/447784251.db2.gz CWODJVBHGZWQRP-UHFFFAOYSA-N 2 2 340.427 1.302 20 0 EDADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000430928514 447787365 /nfs/dbraw/zinc/78/73/65/447787365.db2.gz LQXDKZJAVOGJGX-OAHLLOKOSA-N 2 2 348.466 1.547 20 0 EDADLP CO[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000569821142 447899585 /nfs/dbraw/zinc/89/95/85/447899585.db2.gz QJRZZFLTVYKOGZ-HUUCEWRRSA-N 2 2 340.855 1.312 20 0 EDADLP CO[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000569821142 447899592 /nfs/dbraw/zinc/89/95/92/447899592.db2.gz QJRZZFLTVYKOGZ-HUUCEWRRSA-N 2 2 340.855 1.312 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523778153 447907341 /nfs/dbraw/zinc/90/73/41/447907341.db2.gz VGLMKRNRVCQFKM-ZIAGYGMSSA-N 2 2 328.420 1.513 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523778153 447907344 /nfs/dbraw/zinc/90/73/44/447907344.db2.gz VGLMKRNRVCQFKM-ZIAGYGMSSA-N 2 2 328.420 1.513 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C)o1 ZINC000523856270 447909237 /nfs/dbraw/zinc/90/92/37/447909237.db2.gz KMXOOMYHEYYSHR-KRWDZBQOSA-N 2 2 349.475 1.977 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)o1 ZINC000523856270 447909243 /nfs/dbraw/zinc/90/92/43/447909243.db2.gz KMXOOMYHEYYSHR-KRWDZBQOSA-N 2 2 349.475 1.977 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000524265167 447921865 /nfs/dbraw/zinc/92/18/65/447921865.db2.gz GWNMYNBNMPTQDF-QGZVFWFLSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000524265167 447921871 /nfs/dbraw/zinc/92/18/71/447921871.db2.gz GWNMYNBNMPTQDF-QGZVFWFLSA-N 2 2 348.495 1.122 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)cn2c1 ZINC000576119254 447979243 /nfs/dbraw/zinc/97/92/43/447979243.db2.gz GRTLEGQGUIQUGG-INIZCTEOSA-N 2 2 345.447 1.289 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3CCCC[N@H+]3CCO)cn2c1 ZINC000576119254 447979245 /nfs/dbraw/zinc/97/92/45/447979245.db2.gz GRTLEGQGUIQUGG-INIZCTEOSA-N 2 2 345.447 1.289 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000576169697 447989761 /nfs/dbraw/zinc/98/97/61/447989761.db2.gz OVLRURSQOHGIOI-ZIAGYGMSSA-N 2 2 330.432 1.564 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000576169697 447989765 /nfs/dbraw/zinc/98/97/65/447989765.db2.gz OVLRURSQOHGIOI-ZIAGYGMSSA-N 2 2 330.432 1.564 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)cn2)n1 ZINC000576099511 447970847 /nfs/dbraw/zinc/97/08/47/447970847.db2.gz XOEGTQVIUNPZGV-DYVFJYSZSA-N 2 2 329.448 1.741 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000576447472 448056067 /nfs/dbraw/zinc/05/60/67/448056067.db2.gz JVTBSPIHUKJMPV-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1F ZINC000556421099 448117383 /nfs/dbraw/zinc/11/73/83/448117383.db2.gz RZNZRKKLROIGJI-NSHDSACASA-N 2 2 325.409 1.843 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3ncnn3C)c2cc1C ZINC000576747332 448130453 /nfs/dbraw/zinc/13/04/53/448130453.db2.gz QPSGRUGVPVXPTA-KBPBESRZSA-N 2 2 328.420 1.493 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000571298715 448131780 /nfs/dbraw/zinc/13/17/80/448131780.db2.gz SNAZCCZSPLDXGC-OAHLLOKOSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000571298715 448131786 /nfs/dbraw/zinc/13/17/86/448131786.db2.gz SNAZCCZSPLDXGC-OAHLLOKOSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000571298715 448131790 /nfs/dbraw/zinc/13/17/90/448131790.db2.gz SNAZCCZSPLDXGC-OAHLLOKOSA-N 2 2 349.479 1.036 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000576801030 448141782 /nfs/dbraw/zinc/14/17/82/448141782.db2.gz ZTACIBZROIZNTG-HNNXBMFYSA-N 2 2 329.448 1.908 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000576801030 448141784 /nfs/dbraw/zinc/14/17/84/448141784.db2.gz ZTACIBZROIZNTG-HNNXBMFYSA-N 2 2 329.448 1.908 20 0 EDADLP C[C@@H](CC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1)n1cc[nH+]c1 ZINC000514604818 448171727 /nfs/dbraw/zinc/17/17/27/448171727.db2.gz HQWKAXDPEQYPPH-ZDUSSCGKSA-N 2 2 346.435 1.865 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C[N@@H+]1C1CC1 ZINC000531962090 448175886 /nfs/dbraw/zinc/17/58/86/448175886.db2.gz RNMMOHNQOFSRBY-YFROIQMUSA-N 2 2 342.443 1.456 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)C[N@H+]1C1CC1 ZINC000531962090 448175888 /nfs/dbraw/zinc/17/58/88/448175888.db2.gz RNMMOHNQOFSRBY-YFROIQMUSA-N 2 2 342.443 1.456 20 0 EDADLP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)N(C)c1ccccc1 ZINC000514788845 448203807 /nfs/dbraw/zinc/20/38/07/448203807.db2.gz OEHURHBCMDITFP-DODZYUBVSA-N 2 2 335.492 1.571 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000577164730 448222774 /nfs/dbraw/zinc/22/27/74/448222774.db2.gz YXZNUYCACNSBNH-BXUZGUMPSA-N 2 2 326.391 1.619 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000527528192 448248513 /nfs/dbraw/zinc/24/85/13/448248513.db2.gz YJJYAGTWVUIMER-OAHLLOKOSA-N 2 2 348.491 1.819 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000527528192 448248519 /nfs/dbraw/zinc/24/85/19/448248519.db2.gz YJJYAGTWVUIMER-OAHLLOKOSA-N 2 2 348.491 1.819 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000527528192 448248527 /nfs/dbraw/zinc/24/85/27/448248527.db2.gz YJJYAGTWVUIMER-OAHLLOKOSA-N 2 2 348.491 1.819 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000527528192 448248535 /nfs/dbraw/zinc/24/85/35/448248535.db2.gz YJJYAGTWVUIMER-OAHLLOKOSA-N 2 2 348.491 1.819 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC[C@H]21 ZINC000532526523 448269571 /nfs/dbraw/zinc/26/95/71/448269571.db2.gz BSAQWFQCDRLAIT-DZGCQCFKSA-N 2 2 326.404 1.219 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC[C@H]21 ZINC000532526523 448269578 /nfs/dbraw/zinc/26/95/78/448269578.db2.gz BSAQWFQCDRLAIT-DZGCQCFKSA-N 2 2 326.404 1.219 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCc1c(F)cccc1F ZINC000572039123 448269747 /nfs/dbraw/zinc/26/97/47/448269747.db2.gz MPOWNJXEOMRTBC-GOSISDBHSA-N 2 2 337.414 1.699 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCc1c(F)cccc1F ZINC000572039123 448269756 /nfs/dbraw/zinc/26/97/56/448269756.db2.gz MPOWNJXEOMRTBC-GOSISDBHSA-N 2 2 337.414 1.699 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000572029518 448267152 /nfs/dbraw/zinc/26/71/52/448267152.db2.gz NMBFMMYWTXIBKM-HOTGVXAUSA-N 2 2 329.400 1.430 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000582674115 448309392 /nfs/dbraw/zinc/30/93/92/448309392.db2.gz KIBCNWDYQHSGPK-HIFRSBDPSA-N 2 2 339.867 1.989 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000582674115 448309396 /nfs/dbraw/zinc/30/93/96/448309396.db2.gz KIBCNWDYQHSGPK-HIFRSBDPSA-N 2 2 339.867 1.989 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000532786800 448312519 /nfs/dbraw/zinc/31/25/19/448312519.db2.gz BHOMBKCPORKWOL-QAPCUYQASA-N 2 2 345.447 1.121 20 0 EDADLP COc1cncc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000577400466 448288595 /nfs/dbraw/zinc/28/85/95/448288595.db2.gz RLPAZKBADZTYRV-UHFFFAOYSA-N 2 2 348.451 1.165 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000515374092 448302239 /nfs/dbraw/zinc/30/22/39/448302239.db2.gz YKRPBUGLZMNPKG-HNNXBMFYSA-N 2 2 341.415 1.263 20 0 EDADLP Cn1cc(-c2nc(C[NH2+]C3(CCO)CC[NH+](C)CC3)cs2)cn1 ZINC000527723406 448346081 /nfs/dbraw/zinc/34/60/81/448346081.db2.gz DCOMYPFPWHWONH-UHFFFAOYSA-N 2 2 335.477 1.480 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000533089048 448354913 /nfs/dbraw/zinc/35/49/13/448354913.db2.gz RTTNWTBUOQXNPU-CQSZACIVSA-N 2 2 334.464 1.451 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@H](C)O1 ZINC000582841610 448355382 /nfs/dbraw/zinc/35/53/82/448355382.db2.gz QDMSDAIBFDRSQD-ZRSLWSEBSA-N 2 2 348.487 1.966 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@H](C)O1 ZINC000582841610 448355385 /nfs/dbraw/zinc/35/53/85/448355385.db2.gz QDMSDAIBFDRSQD-ZRSLWSEBSA-N 2 2 348.487 1.966 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1=O ZINC000516188666 448395517 /nfs/dbraw/zinc/39/55/17/448395517.db2.gz OHUBKKOBRKZMLT-KBPBESRZSA-N 2 2 347.463 1.094 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1=O ZINC000516188666 448395521 /nfs/dbraw/zinc/39/55/21/448395521.db2.gz OHUBKKOBRKZMLT-KBPBESRZSA-N 2 2 347.463 1.094 20 0 EDADLP [NH3+]CC1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000577841636 448399386 /nfs/dbraw/zinc/39/93/86/448399386.db2.gz AAJAJDKZXFZJGA-GOSISDBHSA-N 2 2 346.475 1.268 20 0 EDADLP [NH3+]CC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000577841636 448399390 /nfs/dbraw/zinc/39/93/90/448399390.db2.gz AAJAJDKZXFZJGA-GOSISDBHSA-N 2 2 346.475 1.268 20 0 EDADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000583057726 448412420 /nfs/dbraw/zinc/41/24/20/448412420.db2.gz HQAOEJCQCUVXEI-HOTGVXAUSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000583057726 448412423 /nfs/dbraw/zinc/41/24/23/448412423.db2.gz HQAOEJCQCUVXEI-HOTGVXAUSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000583057726 448412428 /nfs/dbraw/zinc/41/24/28/448412428.db2.gz HQAOEJCQCUVXEI-HOTGVXAUSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000583057726 448412434 /nfs/dbraw/zinc/41/24/34/448412434.db2.gz HQAOEJCQCUVXEI-HOTGVXAUSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CCC[NH2+]CC1 ZINC000516430857 448420225 /nfs/dbraw/zinc/42/02/25/448420225.db2.gz QBCLYMGXCUEPDH-QGZVFWFLSA-N 2 2 332.448 1.065 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000582901026 448373455 /nfs/dbraw/zinc/37/34/55/448373455.db2.gz WLRMDLJPBIGYIB-ROUUACIJSA-N 2 2 343.471 1.415 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000582901026 448373459 /nfs/dbraw/zinc/37/34/59/448373459.db2.gz WLRMDLJPBIGYIB-ROUUACIJSA-N 2 2 343.471 1.415 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000527861826 448376952 /nfs/dbraw/zinc/37/69/52/448376952.db2.gz DESSZCVVSOYMFX-ZBFHGGJFSA-N 2 2 331.464 1.904 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCN4C(=O)CC[C@@H]4C3)c2cc1C ZINC000534298026 448442165 /nfs/dbraw/zinc/44/21/65/448442165.db2.gz DSWOBRPDXZHJMR-CVEARBPZSA-N 2 2 342.443 1.321 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCN4C(=O)CC[C@@H]4C3)c2cc1C ZINC000534298026 448442167 /nfs/dbraw/zinc/44/21/67/448442167.db2.gz DSWOBRPDXZHJMR-CVEARBPZSA-N 2 2 342.443 1.321 20 0 EDADLP CCCOc1c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1OCC ZINC000578083898 448459197 /nfs/dbraw/zinc/45/91/97/448459197.db2.gz ISLRWFJTVVPKTR-HZPDHXFCSA-N 2 2 347.459 1.618 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](CO)C3CCOCC3)c2cc1C ZINC000516803927 448475776 /nfs/dbraw/zinc/47/57/76/448475776.db2.gz FSZMHABBHJQMPO-FUHWJXTLSA-N 2 2 347.459 1.391 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnn(C4CC4)c3)CC2)CC1 ZINC000528318172 448485817 /nfs/dbraw/zinc/48/58/17/448485817.db2.gz XBKIZWFDZJIUMJ-UHFFFAOYSA-N 2 2 331.464 1.506 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000566555647 448506233 /nfs/dbraw/zinc/50/62/33/448506233.db2.gz GDTWVTVKLFFXAM-JZXOWHBKSA-N 2 2 331.460 1.787 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000516970503 448513635 /nfs/dbraw/zinc/51/36/35/448513635.db2.gz QLNSQSLZQLMUKQ-GJZGRUSLSA-N 2 2 342.867 1.516 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000516970503 448513637 /nfs/dbraw/zinc/51/36/37/448513637.db2.gz QLNSQSLZQLMUKQ-GJZGRUSLSA-N 2 2 342.867 1.516 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000578372473 448530230 /nfs/dbraw/zinc/53/02/30/448530230.db2.gz HWZKGQXDFIYYOS-UHFFFAOYSA-N 2 2 335.411 1.860 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Nc1cccc2nsnc21 ZINC000573184552 448560301 /nfs/dbraw/zinc/56/03/01/448560301.db2.gz VGFHNVVYBGPFBE-UHFFFAOYSA-N 2 2 343.416 1.175 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](Cc3ccco3)CC1)CC2 ZINC000578537524 448575627 /nfs/dbraw/zinc/57/56/27/448575627.db2.gz CKSRQKQRMHYHKG-HNNXBMFYSA-N 2 2 328.416 1.691 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C1CC1 ZINC000538146712 448579789 /nfs/dbraw/zinc/57/97/89/448579789.db2.gz DELIWKYRKPGVQX-KRWDZBQOSA-N 2 2 332.496 1.522 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C1CC1 ZINC000538146712 448579795 /nfs/dbraw/zinc/57/97/95/448579795.db2.gz DELIWKYRKPGVQX-KRWDZBQOSA-N 2 2 332.496 1.522 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000584516511 448552585 /nfs/dbraw/zinc/55/25/85/448552585.db2.gz VIZSQOXWFIKVLZ-JYJNAYRXSA-N 2 2 333.480 1.826 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000584516511 448552588 /nfs/dbraw/zinc/55/25/88/448552588.db2.gz VIZSQOXWFIKVLZ-JYJNAYRXSA-N 2 2 333.480 1.826 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)C1 ZINC000584516511 448552593 /nfs/dbraw/zinc/55/25/93/448552593.db2.gz VIZSQOXWFIKVLZ-JYJNAYRXSA-N 2 2 333.480 1.826 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)C1 ZINC000584516511 448552595 /nfs/dbraw/zinc/55/25/95/448552595.db2.gz VIZSQOXWFIKVLZ-JYJNAYRXSA-N 2 2 333.480 1.826 20 0 EDADLP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000567102808 448614142 /nfs/dbraw/zinc/61/41/42/448614142.db2.gz MLHIIBLFPSUMSX-RYQLBKOJSA-N 2 2 331.460 1.187 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(-c3ccncc3)cc2)[C@H](C[NH3+])C1 ZINC000567147772 448623755 /nfs/dbraw/zinc/62/37/55/448623755.db2.gz BLBZVENUUXBIPR-GOSISDBHSA-N 2 2 339.443 1.533 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(-c3ccncc3)cc2)[C@H](C[NH3+])C1 ZINC000567147772 448623759 /nfs/dbraw/zinc/62/37/59/448623759.db2.gz BLBZVENUUXBIPR-GOSISDBHSA-N 2 2 339.443 1.533 20 0 EDADLP CNC(=O)c1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000528726584 448647171 /nfs/dbraw/zinc/64/71/71/448647171.db2.gz DYDIQPDEEDZOJP-UHFFFAOYSA-N 2 2 331.460 1.733 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC([NH+]2CCCCC2)C1 ZINC000573567866 448660673 /nfs/dbraw/zinc/66/06/73/448660673.db2.gz SKYDCLLHOKQYIO-UCUFBTAOSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CC([NH+]2CCCCC2)C1 ZINC000573567866 448660679 /nfs/dbraw/zinc/66/06/79/448660679.db2.gz SKYDCLLHOKQYIO-UCUFBTAOSA-N 2 2 336.480 1.166 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528754325 448663323 /nfs/dbraw/zinc/66/33/23/448663323.db2.gz KIQZTLREISIRFZ-KDURUIRLSA-N 2 2 329.444 1.994 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528754325 448663329 /nfs/dbraw/zinc/66/33/29/448663329.db2.gz KIQZTLREISIRFZ-KDURUIRLSA-N 2 2 329.444 1.994 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000528759762 448665114 /nfs/dbraw/zinc/66/51/14/448665114.db2.gz GTGOLHLDPPXCJB-OIPACUDHSA-N 2 2 335.448 1.325 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000517895376 448626774 /nfs/dbraw/zinc/62/67/74/448626774.db2.gz QDBNFSFGBRSYOD-JKSUJKDBSA-N 2 2 340.431 1.836 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000573437933 448627196 /nfs/dbraw/zinc/62/71/96/448627196.db2.gz ROWQXMNSYVINMP-XVSDVWIESA-N 2 2 332.444 1.701 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000573437933 448627201 /nfs/dbraw/zinc/62/72/01/448627201.db2.gz ROWQXMNSYVINMP-XVSDVWIESA-N 2 2 332.444 1.701 20 0 EDADLP C[NH+](C)[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccc(Cl)cc1 ZINC000567402986 448685820 /nfs/dbraw/zinc/68/58/20/448685820.db2.gz CQOBRLZTTIKVAR-HOTGVXAUSA-N 2 2 336.867 1.059 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000573980026 448763016 /nfs/dbraw/zinc/76/30/16/448763016.db2.gz WXVMNMQSCMCRPZ-ZBFHGGJFSA-N 2 2 335.448 1.140 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000573980026 448763020 /nfs/dbraw/zinc/76/30/20/448763020.db2.gz WXVMNMQSCMCRPZ-ZBFHGGJFSA-N 2 2 335.448 1.140 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCn2ccc3cc(Cl)ccc32)[C@@H](C[NH3+])C1 ZINC000567715716 448746360 /nfs/dbraw/zinc/74/63/60/448746360.db2.gz UXKJWWGAIZPJQS-HNNXBMFYSA-N 2 2 349.866 1.579 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCn2ccc3cc(Cl)ccc32)[C@@H](C[NH3+])C1 ZINC000567715716 448746364 /nfs/dbraw/zinc/74/63/64/448746364.db2.gz UXKJWWGAIZPJQS-HNNXBMFYSA-N 2 2 349.866 1.579 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccccc1 ZINC000568034802 448804270 /nfs/dbraw/zinc/80/42/70/448804270.db2.gz WHZSXCOAABHMFQ-IKGGRYGDSA-N 2 2 339.443 1.855 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccccc1 ZINC000568034802 448804277 /nfs/dbraw/zinc/80/42/77/448804277.db2.gz WHZSXCOAABHMFQ-IKGGRYGDSA-N 2 2 339.443 1.855 20 0 EDADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000568078430 448811816 /nfs/dbraw/zinc/81/18/16/448811816.db2.gz QSWUDPBVAVQBJL-UGUYLWEFSA-N 2 2 330.469 1.166 20 0 EDADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000567825763 448769719 /nfs/dbraw/zinc/76/97/19/448769719.db2.gz CVRMICVNFIQAPU-UHFFFAOYSA-N 2 2 339.403 1.968 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1C ZINC000574098688 448790920 /nfs/dbraw/zinc/79/09/20/448790920.db2.gz BHWUDIKLMUHQOU-LBPRGKRZSA-N 2 2 336.461 1.830 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000568163136 448825268 /nfs/dbraw/zinc/82/52/68/448825268.db2.gz PUBXJCRASLERAD-JHJVBQTASA-N 2 2 325.403 1.824 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000568163136 448825273 /nfs/dbraw/zinc/82/52/73/448825273.db2.gz PUBXJCRASLERAD-JHJVBQTASA-N 2 2 325.403 1.824 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000574267357 448830158 /nfs/dbraw/zinc/83/01/58/448830158.db2.gz FZHPNDPPAUXUSE-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000574267357 448830163 /nfs/dbraw/zinc/83/01/63/448830163.db2.gz FZHPNDPPAUXUSE-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP Cc1cc(NCCNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000529368308 448843273 /nfs/dbraw/zinc/84/32/73/448843273.db2.gz SPVXTJWORPQSHQ-KGLIPLIRSA-N 2 2 334.468 1.699 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000568275238 448848442 /nfs/dbraw/zinc/84/84/42/448848442.db2.gz NTURYGASJYZXSY-QGZVFWFLSA-N 2 2 346.523 1.438 20 0 EDADLP C[C@H](CN1CCC(C)CC1)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000568275238 448848449 /nfs/dbraw/zinc/84/84/49/448848449.db2.gz NTURYGASJYZXSY-QGZVFWFLSA-N 2 2 346.523 1.438 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519830114 448855444 /nfs/dbraw/zinc/85/54/44/448855444.db2.gz AFSLLKVLZBPSHC-INIZCTEOSA-N 2 2 334.460 1.482 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519830114 448855447 /nfs/dbraw/zinc/85/54/47/448855447.db2.gz AFSLLKVLZBPSHC-INIZCTEOSA-N 2 2 334.460 1.482 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519830114 448855452 /nfs/dbraw/zinc/85/54/52/448855452.db2.gz AFSLLKVLZBPSHC-INIZCTEOSA-N 2 2 334.460 1.482 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000519830114 448855454 /nfs/dbraw/zinc/85/54/54/448855454.db2.gz AFSLLKVLZBPSHC-INIZCTEOSA-N 2 2 334.460 1.482 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000574451976 448877336 /nfs/dbraw/zinc/87/73/36/448877336.db2.gz ZVLKQKIGBBXMBO-GOSISDBHSA-N 2 2 335.423 1.292 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)CC[C@@H]1[NH3+] ZINC000592489431 448859245 /nfs/dbraw/zinc/85/92/45/448859245.db2.gz VPNXLUHTQPNTFI-HIFRSBDPSA-N 2 2 333.432 1.779 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)CC[C@@H]1[NH3+] ZINC000592489431 448859252 /nfs/dbraw/zinc/85/92/52/448859252.db2.gz VPNXLUHTQPNTFI-HIFRSBDPSA-N 2 2 333.432 1.779 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547679788 448914440 /nfs/dbraw/zinc/91/44/40/448914440.db2.gz BXRCNUYLFNLLRD-QGZVFWFLSA-N 2 2 341.459 1.971 20 0 EDADLP O=C(C1CC1)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000568616277 448894994 /nfs/dbraw/zinc/89/49/94/448894994.db2.gz RDQZLNPZUSEGTO-UHFFFAOYSA-N 2 2 343.471 1.573 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000589020043 448960003 /nfs/dbraw/zinc/96/00/03/448960003.db2.gz SFPROMAGXOOZGX-QBPKDAKJSA-N 2 2 349.479 1.555 20 0 EDADLP O=C(COc1ccccc1C[NH2+]CCC[NH+]1CCC1)N1CCCC1 ZINC000569238194 448987256 /nfs/dbraw/zinc/98/72/56/448987256.db2.gz KVRPBCRVEYRQRM-UHFFFAOYSA-N 2 2 331.460 1.873 20 0 EDADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000520838289 448938058 /nfs/dbraw/zinc/93/80/58/448938058.db2.gz WJHZBBAJKFQDHZ-RDTXWAMCSA-N 2 2 326.444 1.855 20 0 EDADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000520838289 448938062 /nfs/dbraw/zinc/93/80/62/448938062.db2.gz WJHZBBAJKFQDHZ-RDTXWAMCSA-N 2 2 326.444 1.855 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000569334893 449005044 /nfs/dbraw/zinc/00/50/44/449005044.db2.gz RKBWDHUKCFPOSE-INIZCTEOSA-N 2 2 348.495 1.155 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000569392976 449019658 /nfs/dbraw/zinc/01/96/58/449019658.db2.gz JPAYSPJQNDSGDW-UHFFFAOYSA-N 2 2 335.500 1.642 20 0 EDADLP CCNc1nc(NC2CC[NH+](C(C)C)CC2)[nH+]c(NC(C)(C)C)n1 ZINC000569392976 449019661 /nfs/dbraw/zinc/01/96/61/449019661.db2.gz JPAYSPJQNDSGDW-UHFFFAOYSA-N 2 2 335.500 1.642 20 0 EDADLP C[C@@H](CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000521869460 449021221 /nfs/dbraw/zinc/02/12/21/449021221.db2.gz BSSSZEQACXTEJW-HOTGVXAUSA-N 2 2 333.480 1.090 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000522317769 449077407 /nfs/dbraw/zinc/07/74/07/449077407.db2.gz YBYJPBDSHGRUIJ-UHFFFAOYSA-N 2 2 328.420 1.657 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)cn21 ZINC000592959899 449082891 /nfs/dbraw/zinc/08/28/91/449082891.db2.gz QIUWDNGNKWPGCZ-ZDUSSCGKSA-N 2 2 338.415 1.605 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000582230600 449043626 /nfs/dbraw/zinc/04/36/26/449043626.db2.gz JKCUYKUCEMVAJB-QZTJIDSGSA-N 2 2 346.475 1.063 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604182370 449187433 /nfs/dbraw/zinc/18/74/33/449187433.db2.gz DDJFPXCLMJAWCO-HZPDHXFCSA-N 3 2 339.528 1.184 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604182370 449187435 /nfs/dbraw/zinc/18/74/35/449187435.db2.gz DDJFPXCLMJAWCO-HZPDHXFCSA-N 3 2 339.528 1.184 20 0 EDADLP Cc1noc(C)c1[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604196488 449189968 /nfs/dbraw/zinc/18/99/68/449189968.db2.gz HDKRTSNUZSLIJW-WFASDCNBSA-N 2 2 349.479 1.820 20 0 EDADLP Cc1noc(C)c1[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604196488 449189973 /nfs/dbraw/zinc/18/99/73/449189973.db2.gz HDKRTSNUZSLIJW-WFASDCNBSA-N 2 2 349.479 1.820 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590847367 449318993 /nfs/dbraw/zinc/31/89/93/449318993.db2.gz NUCUXZXNQQVOOH-IAGOWNOFSA-N 2 2 349.479 1.586 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590847367 449318999 /nfs/dbraw/zinc/31/89/99/449318999.db2.gz NUCUXZXNQQVOOH-IAGOWNOFSA-N 2 2 349.479 1.586 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C[C@@H](C)O1 ZINC000590849949 449319869 /nfs/dbraw/zinc/31/98/69/449319869.db2.gz KKYPVAQZRIPFIA-BRWVUGGUSA-N 2 2 349.479 1.729 20 0 EDADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000590850011 449320543 /nfs/dbraw/zinc/32/05/43/449320543.db2.gz NXFLXAGUXPWUGN-INIZCTEOSA-N 2 2 348.495 1.256 20 0 EDADLP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000593910119 449279646 /nfs/dbraw/zinc/27/96/46/449279646.db2.gz RGLWEQNACHCAIQ-KBPBESRZSA-N 2 2 341.839 1.339 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2C(=O)OC)CC1 ZINC000611577699 449343877 /nfs/dbraw/zinc/34/38/77/449343877.db2.gz VHQUUZMOBHZMIS-HNNXBMFYSA-N 2 2 325.453 1.005 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2C(=O)OC)CC1 ZINC000611577699 449343882 /nfs/dbraw/zinc/34/38/82/449343882.db2.gz VHQUUZMOBHZMIS-HNNXBMFYSA-N 2 2 325.453 1.005 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CCC4(C[NH+](C)C4)C3)CC2)cs1 ZINC000614039837 449427543 /nfs/dbraw/zinc/42/75/43/449427543.db2.gz ZRBXEGOROVILIM-UHFFFAOYSA-N 2 2 348.516 1.828 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000605986483 449435956 /nfs/dbraw/zinc/43/59/56/449435956.db2.gz XVCMCLQHLATGHI-MRXNPFEDSA-N 2 2 348.495 1.326 20 0 EDADLP O=C(C[N@@H+](CCCO)C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000607153117 449581077 /nfs/dbraw/zinc/58/10/77/449581077.db2.gz UEHZTGDBUAYKAV-UHFFFAOYSA-N 2 2 337.489 1.239 20 0 EDADLP O=C(C[N@H+](CCCO)C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000607153117 449581084 /nfs/dbraw/zinc/58/10/84/449581084.db2.gz UEHZTGDBUAYKAV-UHFFFAOYSA-N 2 2 337.489 1.239 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)[nH]c1C ZINC000602487529 449628396 /nfs/dbraw/zinc/62/83/96/449628396.db2.gz RSHQJSGIPGHCDF-HYVNUMGLSA-N 2 2 335.448 1.793 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)[nH]c1C ZINC000602487529 449628402 /nfs/dbraw/zinc/62/84/02/449628402.db2.gz RSHQJSGIPGHCDF-HYVNUMGLSA-N 2 2 335.448 1.793 20 0 EDADLP CN(C(=O)[C@H]1Cc2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906491 449664602 /nfs/dbraw/zinc/66/46/02/449664602.db2.gz KLPCTYUINBAZLY-MJGOQNOKSA-N 2 2 327.472 1.953 20 0 EDADLP CN(C(=O)[C@H]1Cc2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906491 449664606 /nfs/dbraw/zinc/66/46/06/449664606.db2.gz KLPCTYUINBAZLY-MJGOQNOKSA-N 2 2 327.472 1.953 20 0 EDADLP COC(=O)c1csc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000602655977 449734554 /nfs/dbraw/zinc/73/45/54/449734554.db2.gz JPMRMXZYKDKUHV-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP COC(=O)c1csc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000602655977 449734556 /nfs/dbraw/zinc/73/45/56/449734556.db2.gz JPMRMXZYKDKUHV-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP COC(=O)c1csc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000602655977 449734561 /nfs/dbraw/zinc/73/45/61/449734561.db2.gz JPMRMXZYKDKUHV-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP COC(=O)c1csc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000602655977 449734566 /nfs/dbraw/zinc/73/45/66/449734566.db2.gz JPMRMXZYKDKUHV-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000612579361 449783344 /nfs/dbraw/zinc/78/33/44/449783344.db2.gz ZSVJPGGSNQPAQY-YFHUEUNASA-N 2 2 346.475 1.408 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617729508 449788332 /nfs/dbraw/zinc/78/83/32/449788332.db2.gz DTMNXRWYAQIKJV-KBPBESRZSA-N 2 2 330.432 1.570 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617729508 449788336 /nfs/dbraw/zinc/78/83/36/449788336.db2.gz DTMNXRWYAQIKJV-KBPBESRZSA-N 2 2 330.432 1.570 20 0 EDADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000602732779 449774246 /nfs/dbraw/zinc/77/42/46/449774246.db2.gz KJPNZQBOFLSDLM-STQMWFEESA-N 2 2 346.431 1.614 20 0 EDADLP COC(=O)c1coc([C@@H](C)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000602801687 449821274 /nfs/dbraw/zinc/82/12/74/449821274.db2.gz ZASIUKXMUUTNAC-CYBMUJFWSA-N 2 2 338.452 1.480 20 0 EDADLP COC(=O)c1coc([C@@H](C)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000602801687 449821279 /nfs/dbraw/zinc/82/12/79/449821279.db2.gz ZASIUKXMUUTNAC-CYBMUJFWSA-N 2 2 338.452 1.480 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC000617763747 449822886 /nfs/dbraw/zinc/82/28/86/449822886.db2.gz ZUXWNZOFGGGBOL-UHFFFAOYSA-N 2 2 345.447 1.191 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC000617763747 449822893 /nfs/dbraw/zinc/82/28/93/449822893.db2.gz ZUXWNZOFGGGBOL-UHFFFAOYSA-N 2 2 345.447 1.191 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(C(F)(F)F)nc1 ZINC000617764725 449824138 /nfs/dbraw/zinc/82/41/38/449824138.db2.gz DIZKXEHXGWVWBE-UHFFFAOYSA-N 2 2 333.358 1.109 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(C(F)(F)F)nc1 ZINC000617764725 449824145 /nfs/dbraw/zinc/82/41/45/449824145.db2.gz DIZKXEHXGWVWBE-UHFFFAOYSA-N 2 2 333.358 1.109 20 0 EDADLP C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765556 449827410 /nfs/dbraw/zinc/82/74/10/449827410.db2.gz GHYYYPXYSQSHIY-VQIMIIECSA-N 2 2 335.492 1.541 20 0 EDADLP C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765556 449827420 /nfs/dbraw/zinc/82/74/20/449827420.db2.gz GHYYYPXYSQSHIY-VQIMIIECSA-N 2 2 335.492 1.541 20 0 EDADLP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000601326771 449833908 /nfs/dbraw/zinc/83/39/08/449833908.db2.gz PICQEWSXZGDKGX-HOCLYGCPSA-N 2 2 329.404 1.206 20 0 EDADLP COC(=O)[C@H](c1ccccc1C)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000601326771 449833915 /nfs/dbraw/zinc/83/39/15/449833915.db2.gz PICQEWSXZGDKGX-HOCLYGCPSA-N 2 2 329.404 1.206 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000599301062 449874858 /nfs/dbraw/zinc/87/48/58/449874858.db2.gz APMIKVBDVSWNKZ-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000599301062 449874860 /nfs/dbraw/zinc/87/48/60/449874860.db2.gz APMIKVBDVSWNKZ-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000608700034 449913597 /nfs/dbraw/zinc/91/35/97/449913597.db2.gz KTHHCHHLUHEHKG-UHFFFAOYSA-N 3 2 338.500 1.174 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346417 450060851 /nfs/dbraw/zinc/06/08/51/450060851.db2.gz IOWYILPMRVYDJB-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346417 450060856 /nfs/dbraw/zinc/06/08/56/450060856.db2.gz IOWYILPMRVYDJB-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346417 450060859 /nfs/dbraw/zinc/06/08/59/450060859.db2.gz IOWYILPMRVYDJB-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346417 450060862 /nfs/dbraw/zinc/06/08/62/450060862.db2.gz IOWYILPMRVYDJB-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000595387085 450101420 /nfs/dbraw/zinc/10/14/20/450101420.db2.gz GIXFVXIZIXLLAV-OWCLPIDISA-N 2 2 348.447 1.320 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000595387085 450101423 /nfs/dbraw/zinc/10/14/23/450101423.db2.gz GIXFVXIZIXLLAV-OWCLPIDISA-N 2 2 348.447 1.320 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)NCCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000615907712 450269252 /nfs/dbraw/zinc/26/92/52/450269252.db2.gz NWTJMMFOHOFNMY-HOTGVXAUSA-N 2 2 337.468 1.462 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000625366577 450315425 /nfs/dbraw/zinc/31/54/25/450315425.db2.gz OCDMXRCXRCWEBX-OAHLLOKOSA-N 2 2 348.491 1.760 20 0 EDADLP COCC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000618878444 450325879 /nfs/dbraw/zinc/32/58/79/450325879.db2.gz VSDXYSXCLDUGLP-UHFFFAOYSA-N 2 2 341.496 1.104 20 0 EDADLP COCC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000618878444 450325883 /nfs/dbraw/zinc/32/58/83/450325883.db2.gz VSDXYSXCLDUGLP-UHFFFAOYSA-N 2 2 341.496 1.104 20 0 EDADLP Cc1ccc(CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000622946661 450343054 /nfs/dbraw/zinc/34/30/54/450343054.db2.gz VIDSULVPTVWMJU-UHFFFAOYSA-N 2 2 348.491 1.988 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC1 ZINC000619882618 450351799 /nfs/dbraw/zinc/35/17/99/450351799.db2.gz IXHGOABFSNWVIE-UHFFFAOYSA-N 2 2 337.508 1.678 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000616550466 450447459 /nfs/dbraw/zinc/44/74/59/450447459.db2.gz UAKNNNGGXLCJLU-RCCFBDPRSA-N 2 2 338.455 1.909 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000616550466 450447464 /nfs/dbraw/zinc/44/74/64/450447464.db2.gz UAKNNNGGXLCJLU-RCCFBDPRSA-N 2 2 338.455 1.909 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000625850506 450521279 /nfs/dbraw/zinc/52/12/79/450521279.db2.gz SXDQAACVEZFJJE-GOEBONIOSA-N 2 2 332.448 1.781 20 0 EDADLP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000623435804 450521767 /nfs/dbraw/zinc/52/17/67/450521767.db2.gz SYFSBDBCKLGENU-SFHVURJKSA-N 2 2 348.491 1.658 20 0 EDADLP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000623435804 450521768 /nfs/dbraw/zinc/52/17/68/450521768.db2.gz SYFSBDBCKLGENU-SFHVURJKSA-N 2 2 348.491 1.658 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000623601603 450549342 /nfs/dbraw/zinc/54/93/42/450549342.db2.gz JQVGNKCSUMBJTG-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000623601603 450549343 /nfs/dbraw/zinc/54/93/43/450549343.db2.gz JQVGNKCSUMBJTG-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623601603 450549344 /nfs/dbraw/zinc/54/93/44/450549344.db2.gz JQVGNKCSUMBJTG-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000623601603 450549345 /nfs/dbraw/zinc/54/93/45/450549345.db2.gz JQVGNKCSUMBJTG-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1nccn1Cc1ccccc1 ZINC000623618059 450552379 /nfs/dbraw/zinc/55/23/79/450552379.db2.gz BCJVKGLBABWKDA-KRWDZBQOSA-N 2 2 341.459 1.361 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000623619271 450552606 /nfs/dbraw/zinc/55/26/06/450552606.db2.gz ZSJNISHBULIRKL-INIZCTEOSA-N 2 2 345.422 1.645 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000623619271 450552608 /nfs/dbraw/zinc/55/26/08/450552608.db2.gz ZSJNISHBULIRKL-INIZCTEOSA-N 2 2 345.422 1.645 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C[C@H](C)[NH2+]1 ZINC000620897987 450556794 /nfs/dbraw/zinc/55/67/94/450556794.db2.gz JCOAZAHRLGBSDO-SQWLQELKSA-N 2 2 349.479 1.082 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C[C@H](C)[NH2+]1 ZINC000620897987 450556798 /nfs/dbraw/zinc/55/67/98/450556798.db2.gz JCOAZAHRLGBSDO-SQWLQELKSA-N 2 2 349.479 1.082 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1C[C@@H](O)C1 ZINC000626043427 450560635 /nfs/dbraw/zinc/56/06/35/450560635.db2.gz QDQMVXFYEFYYQR-MAEOIBBWSA-N 2 2 347.459 1.160 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1C[C@@H](O)C1 ZINC000626043427 450560637 /nfs/dbraw/zinc/56/06/37/450560637.db2.gz QDQMVXFYEFYYQR-MAEOIBBWSA-N 2 2 347.459 1.160 20 0 EDADLP COC[C@H](C)[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000626134072 450580302 /nfs/dbraw/zinc/58/03/02/450580302.db2.gz AALSTGXEEZGEJP-QFBILLFUSA-N 2 2 345.487 1.785 20 0 EDADLP COC[C@H](C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000626134072 450580303 /nfs/dbraw/zinc/58/03/03/450580303.db2.gz AALSTGXEEZGEJP-QFBILLFUSA-N 2 2 345.487 1.785 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)[C@H]1c1ccccc1 ZINC000623813307 450599290 /nfs/dbraw/zinc/59/92/90/450599290.db2.gz HGRHTLVVADXKOT-YESZJQIVSA-N 2 2 332.448 1.062 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)[C@H]1c1ccccc1 ZINC000623813307 450599295 /nfs/dbraw/zinc/59/92/95/450599295.db2.gz HGRHTLVVADXKOT-YESZJQIVSA-N 2 2 332.448 1.062 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000623813307 450599303 /nfs/dbraw/zinc/59/93/03/450599303.db2.gz HGRHTLVVADXKOT-YESZJQIVSA-N 2 2 332.448 1.062 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000623813307 450599306 /nfs/dbraw/zinc/59/93/06/450599306.db2.gz HGRHTLVVADXKOT-YESZJQIVSA-N 2 2 332.448 1.062 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000632998289 450599663 /nfs/dbraw/zinc/59/96/63/450599663.db2.gz MYDHDKJRAQEIJF-QGZVFWFLSA-N 2 2 342.443 1.378 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)CC2 ZINC000623815554 450599870 /nfs/dbraw/zinc/59/98/70/450599870.db2.gz HHFIHDIRYORVMP-KRWDZBQOSA-N 2 2 338.455 1.928 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[N@H+]1CCc3ccccc3C1)CC2 ZINC000623815554 450599877 /nfs/dbraw/zinc/59/98/77/450599877.db2.gz HHFIHDIRYORVMP-KRWDZBQOSA-N 2 2 338.455 1.928 20 0 EDADLP COC[C@]1(C)C[NH+]([C@H](C)CC[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174993 450608773 /nfs/dbraw/zinc/60/87/73/450608773.db2.gz FHIPVUOCFLYVRW-SQNIBIBYSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@]1(C)C[NH+]([C@H](C)CC[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174993 450608778 /nfs/dbraw/zinc/60/87/78/450608778.db2.gz FHIPVUOCFLYVRW-SQNIBIBYSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@]1(C)C[NH+](CC[C@@H](C)[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174993 450608784 /nfs/dbraw/zinc/60/87/84/450608784.db2.gz FHIPVUOCFLYVRW-SQNIBIBYSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@]1(C)C[NH+](CC[C@@H](C)[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174993 450608788 /nfs/dbraw/zinc/60/87/88/450608788.db2.gz FHIPVUOCFLYVRW-SQNIBIBYSA-N 2 2 344.496 1.240 20 0 EDADLP COc1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)ccc1OCC(F)(F)F ZINC000623837098 450609757 /nfs/dbraw/zinc/60/97/57/450609757.db2.gz XXVDLBZUBZUZAG-ZDUSSCGKSA-N 2 2 348.365 1.793 20 0 EDADLP COc1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)ccc1OCC(F)(F)F ZINC000623837098 450609761 /nfs/dbraw/zinc/60/97/61/450609761.db2.gz XXVDLBZUBZUZAG-ZDUSSCGKSA-N 2 2 348.365 1.793 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000635060578 450614836 /nfs/dbraw/zinc/61/48/36/450614836.db2.gz ZUBLVHBZWUHHHQ-UHFFFAOYSA-N 2 2 345.487 1.689 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC000627309755 450638750 /nfs/dbraw/zinc/63/87/50/450638750.db2.gz ZETNWFOXCGZXLA-JKSUJKDBSA-N 2 2 346.475 1.276 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC000627309755 450638754 /nfs/dbraw/zinc/63/87/54/450638754.db2.gz ZETNWFOXCGZXLA-JKSUJKDBSA-N 2 2 346.475 1.276 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)C3CC[NH+](C)CC3)nc[nH+]2)C1 ZINC000623969829 450655886 /nfs/dbraw/zinc/65/58/86/450655886.db2.gz VWSFYIHDUJGOQH-OFQRWUPVSA-N 2 2 333.480 1.826 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)C3CC[NH+](C)CC3)[nH+]cn2)C1 ZINC000623969829 450655891 /nfs/dbraw/zinc/65/58/91/450655891.db2.gz VWSFYIHDUJGOQH-OFQRWUPVSA-N 2 2 333.480 1.826 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000629415534 450661343 /nfs/dbraw/zinc/66/13/43/450661343.db2.gz WDDBIUUNTBQOPJ-INIZCTEOSA-N 2 2 346.475 1.549 20 0 EDADLP CNS(=O)(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000621291982 450662782 /nfs/dbraw/zinc/66/27/82/450662782.db2.gz KGGFCWKPKYASDI-CQSZACIVSA-N 2 2 345.534 1.359 20 0 EDADLP CNS(=O)(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000621291982 450662787 /nfs/dbraw/zinc/66/27/87/450662787.db2.gz KGGFCWKPKYASDI-CQSZACIVSA-N 2 2 345.534 1.359 20 0 EDADLP CNS(=O)(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000621291982 450662795 /nfs/dbraw/zinc/66/27/95/450662795.db2.gz KGGFCWKPKYASDI-CQSZACIVSA-N 2 2 345.534 1.359 20 0 EDADLP CNS(=O)(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000621291982 450662799 /nfs/dbraw/zinc/66/27/99/450662799.db2.gz KGGFCWKPKYASDI-CQSZACIVSA-N 2 2 345.534 1.359 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635126761 450672772 /nfs/dbraw/zinc/67/27/72/450672772.db2.gz ISVXFQBHXWLYCE-QGZVFWFLSA-N 2 2 345.487 1.990 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635126761 450672775 /nfs/dbraw/zinc/67/27/75/450672775.db2.gz ISVXFQBHXWLYCE-QGZVFWFLSA-N 2 2 345.487 1.990 20 0 EDADLP FC(F)(F)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)n1cccn1 ZINC000624045449 450681974 /nfs/dbraw/zinc/68/19/74/450681974.db2.gz IJDGMFRPGRLRAN-KGLIPLIRSA-N 2 2 332.370 1.829 20 0 EDADLP CC(C)C[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)n1cc[nH+]c1 ZINC000635137443 450683176 /nfs/dbraw/zinc/68/31/76/450683176.db2.gz AZDUGBMBPOGHAH-DLBZAZTESA-N 2 2 336.480 1.943 20 0 EDADLP CC(C)C[C@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)n1cc[nH+]c1 ZINC000635137443 450683182 /nfs/dbraw/zinc/68/31/82/450683182.db2.gz AZDUGBMBPOGHAH-DLBZAZTESA-N 2 2 336.480 1.943 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000629535787 450727395 /nfs/dbraw/zinc/72/73/95/450727395.db2.gz DPZIBNVBCSPQCS-VNHYZAJKSA-N 2 2 325.478 1.728 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563667 450737566 /nfs/dbraw/zinc/73/75/66/450737566.db2.gz FAHWRDICGZZJOF-FVCCEPFGSA-N 2 2 337.386 1.129 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563667 450737572 /nfs/dbraw/zinc/73/75/72/450737572.db2.gz FAHWRDICGZZJOF-FVCCEPFGSA-N 2 2 337.386 1.129 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000629564731 450738905 /nfs/dbraw/zinc/73/89/05/450738905.db2.gz BEXVDKRCPHYJSB-UHFFFAOYSA-N 2 2 329.828 1.455 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000629564731 450738906 /nfs/dbraw/zinc/73/89/06/450738906.db2.gz BEXVDKRCPHYJSB-UHFFFAOYSA-N 2 2 329.828 1.455 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)CC3 ZINC000624230062 450757546 /nfs/dbraw/zinc/75/75/46/450757546.db2.gz LUEBZGMIUJYXIN-UONOGXRCSA-N 2 2 329.444 1.690 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)CC3 ZINC000624230062 450757547 /nfs/dbraw/zinc/75/75/47/450757547.db2.gz LUEBZGMIUJYXIN-UONOGXRCSA-N 2 2 329.444 1.690 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000635298652 450825800 /nfs/dbraw/zinc/82/58/00/450825800.db2.gz CAXDNIROGWGQDK-UHFFFAOYSA-N 2 2 332.448 1.970 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCC[C@@H](C(F)(F)F)C1 ZINC000631887570 450848812 /nfs/dbraw/zinc/84/88/12/450848812.db2.gz OYODIFCZLVSZOO-MGPQQGTHSA-N 2 2 333.398 1.861 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCC[C@@H](C(F)(F)F)C1 ZINC000631887570 450848816 /nfs/dbraw/zinc/84/88/16/450848816.db2.gz OYODIFCZLVSZOO-MGPQQGTHSA-N 2 2 333.398 1.861 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887645 450849201 /nfs/dbraw/zinc/84/92/01/450849201.db2.gz PKQAQYVYJHSVRX-RDJZCZTQSA-N 2 2 344.459 1.401 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887645 450849203 /nfs/dbraw/zinc/84/92/03/450849203.db2.gz PKQAQYVYJHSVRX-RDJZCZTQSA-N 2 2 344.459 1.401 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)c[nH+]2)CCO1 ZINC000635325248 450850483 /nfs/dbraw/zinc/85/04/83/450850483.db2.gz NCBHVIRDNMMGLM-GJZGRUSLSA-N 2 2 332.448 1.265 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)c[nH+]2)CCO1 ZINC000635325248 450850487 /nfs/dbraw/zinc/85/04/87/450850487.db2.gz NCBHVIRDNMMGLM-GJZGRUSLSA-N 2 2 332.448 1.265 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635328013 450853221 /nfs/dbraw/zinc/85/32/21/450853221.db2.gz GDGVNVAKKGTJMT-JKSUJKDBSA-N 2 2 326.400 1.935 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635328013 450853226 /nfs/dbraw/zinc/85/32/26/450853226.db2.gz GDGVNVAKKGTJMT-JKSUJKDBSA-N 2 2 326.400 1.935 20 0 EDADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635400824 450907232 /nfs/dbraw/zinc/90/72/32/450907232.db2.gz HFOFJLHOGQYRSS-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635400824 450907236 /nfs/dbraw/zinc/90/72/36/450907236.db2.gz HFOFJLHOGQYRSS-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000635400824 450907237 /nfs/dbraw/zinc/90/72/37/450907237.db2.gz HFOFJLHOGQYRSS-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000635400824 450907241 /nfs/dbraw/zinc/90/72/41/450907241.db2.gz HFOFJLHOGQYRSS-SJLPKXTDSA-N 2 2 331.460 1.728 20 0 EDADLP Cc1cc(CO)cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)[nH+]1 ZINC000624704231 450955185 /nfs/dbraw/zinc/95/51/85/450955185.db2.gz CIFGICIRXYOKGW-KRWDZBQOSA-N 2 2 328.416 1.590 20 0 EDADLP Cc1cc(CO)cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)[nH+]1 ZINC000624704231 450955188 /nfs/dbraw/zinc/95/51/88/450955188.db2.gz CIFGICIRXYOKGW-KRWDZBQOSA-N 2 2 328.416 1.590 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501749 450996578 /nfs/dbraw/zinc/99/65/78/450996578.db2.gz RTZHEBTYVJDNKN-STQMWFEESA-N 2 2 348.369 1.604 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501749 450996580 /nfs/dbraw/zinc/99/65/80/450996580.db2.gz RTZHEBTYVJDNKN-STQMWFEESA-N 2 2 348.369 1.604 20 0 EDADLP C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000635506271 451000641 /nfs/dbraw/zinc/00/06/41/451000641.db2.gz QRNHOICCZYYRSK-IAGOWNOFSA-N 2 2 333.476 1.386 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000635506271 451000643 /nfs/dbraw/zinc/00/06/43/451000643.db2.gz QRNHOICCZYYRSK-IAGOWNOFSA-N 2 2 333.476 1.386 20 0 EDADLP CC[N@H+](CCCNC(=O)NCC1([NH3+])CCOCC1)c1ccccc1 ZINC000626925313 451008527 /nfs/dbraw/zinc/00/85/27/451008527.db2.gz KFTBRNKDIUPINA-UHFFFAOYSA-N 2 2 334.464 1.710 20 0 EDADLP CC[N@@H+](CCCNC(=O)NCC1([NH3+])CCOCC1)c1ccccc1 ZINC000626925313 451008532 /nfs/dbraw/zinc/00/85/32/451008532.db2.gz KFTBRNKDIUPINA-UHFFFAOYSA-N 2 2 334.464 1.710 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C[NH2+]1 ZINC000626927323 451011135 /nfs/dbraw/zinc/01/11/35/451011135.db2.gz XUGQNBSESRAJMZ-PBHICJAKSA-N 2 2 327.432 1.871 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCOCC2)cc1 ZINC000626944431 451023169 /nfs/dbraw/zinc/02/31/69/451023169.db2.gz QEANWCPUPFQJHB-JQHSSLGASA-N 2 2 346.475 1.418 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635531949 451027651 /nfs/dbraw/zinc/02/76/51/451027651.db2.gz XFDUIAUBJDDHOY-CHWSQXEVSA-N 2 2 348.369 1.604 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635531949 451027655 /nfs/dbraw/zinc/02/76/55/451027655.db2.gz XFDUIAUBJDDHOY-CHWSQXEVSA-N 2 2 348.369 1.604 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635545461 451041420 /nfs/dbraw/zinc/04/14/20/451041420.db2.gz JHJLQJBWZJDCDS-ZDUSSCGKSA-N 2 2 348.369 1.557 20 0 EDADLP CC(C)C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)n1cc[nH+]c1 ZINC000635559134 451058064 /nfs/dbraw/zinc/05/80/64/451058064.db2.gz QQHRBTLDPPFCFS-SFHVURJKSA-N 2 2 349.523 1.860 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)n1cc[nH+]c1 ZINC000635571271 451070014 /nfs/dbraw/zinc/07/00/14/451070014.db2.gz UEORGNKQEBAJBT-ZWKOTPCHSA-N 2 2 347.507 1.709 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)n1cc[nH+]c1 ZINC000635571271 451070018 /nfs/dbraw/zinc/07/00/18/451070018.db2.gz UEORGNKQEBAJBT-ZWKOTPCHSA-N 2 2 347.507 1.709 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[C@H]1C(F)(F)F ZINC000627015849 451080582 /nfs/dbraw/zinc/08/05/82/451080582.db2.gz AYIIGNYXOHZXCR-GRYCIOLGSA-N 2 2 345.369 1.367 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897707 451082268 /nfs/dbraw/zinc/08/22/68/451082268.db2.gz ILJRINZAMXFGEW-UHFFFAOYSA-N 2 2 328.416 1.403 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635551748 451049069 /nfs/dbraw/zinc/04/90/69/451049069.db2.gz OFFOHMYRTPOSIO-OALUTQOASA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635551748 451049075 /nfs/dbraw/zinc/04/90/75/451049075.db2.gz OFFOHMYRTPOSIO-OALUTQOASA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000635551748 451049077 /nfs/dbraw/zinc/04/90/77/451049077.db2.gz OFFOHMYRTPOSIO-OALUTQOASA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000635551748 451049082 /nfs/dbraw/zinc/04/90/82/451049082.db2.gz OFFOHMYRTPOSIO-OALUTQOASA-N 3 2 348.535 1.630 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000627077453 451112413 /nfs/dbraw/zinc/11/24/13/451112413.db2.gz CJOXSVHOTFSYBR-LSDHHAIUSA-N 2 2 348.495 2.137 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CCC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627086507 451118210 /nfs/dbraw/zinc/11/82/10/451118210.db2.gz UWXFSRHCVFWVTH-AWEZNQCLSA-N 2 2 334.468 1.762 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H](C)CCCC[NH3+])nc(C(C)C)[nH+]1 ZINC000627093795 451121329 /nfs/dbraw/zinc/12/13/29/451121329.db2.gz TYFJLADXUBQBET-CYBMUJFWSA-N 2 2 336.484 2.137 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000627126814 451139688 /nfs/dbraw/zinc/13/96/88/451139688.db2.gz LXZABQQSYKEXFR-MRXNPFEDSA-N 2 2 336.480 1.025 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121645 451142894 /nfs/dbraw/zinc/14/28/94/451142894.db2.gz PVSSSVCLVKKFDZ-OAHLLOKOSA-N 2 2 334.464 1.720 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)CC(C)(C)C ZINC000635693889 451177363 /nfs/dbraw/zinc/17/73/63/451177363.db2.gz DJTZLVLXTMKOQK-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)CC(C)(C)C ZINC000635693889 451177368 /nfs/dbraw/zinc/17/73/68/451177368.db2.gz DJTZLVLXTMKOQK-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCOC[C@H]3CCCO3)c2)CC1 ZINC000634193811 451229969 /nfs/dbraw/zinc/22/99/69/451229969.db2.gz BWPWYIWBCNNYCE-MRXNPFEDSA-N 2 2 348.447 1.358 20 0 EDADLP CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193206 451227847 /nfs/dbraw/zinc/22/78/47/451227847.db2.gz GNYPAWAAKGTFKQ-HOTGVXAUSA-N 2 2 332.448 1.977 20 0 EDADLP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)c1ccccc1 ZINC000638098363 451262827 /nfs/dbraw/zinc/26/28/27/451262827.db2.gz CAJXCJQXFFXWSL-GJZGRUSLSA-N 2 2 346.475 1.052 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000638102780 451269141 /nfs/dbraw/zinc/26/91/41/451269141.db2.gz WUSFEFXXZDONRL-GXFFZTMASA-N 2 2 334.342 1.171 20 0 EDADLP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000632457970 451307371 /nfs/dbraw/zinc/30/73/71/451307371.db2.gz SVLXUGXHAZIBPT-INIZCTEOSA-N 2 2 339.505 1.474 20 0 EDADLP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000632457970 451307376 /nfs/dbraw/zinc/30/73/76/451307376.db2.gz SVLXUGXHAZIBPT-INIZCTEOSA-N 2 2 339.505 1.474 20 0 EDADLP C[C@@H]1C[N@@H+]([C@@H](c2nccn2C)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638137870 451312259 /nfs/dbraw/zinc/31/22/59/451312259.db2.gz POCLXAKAAYNMDA-KBAYOESNSA-N 2 2 331.508 1.829 20 0 EDADLP C[C@@H]1C[N@H+]([C@@H](c2nccn2C)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638137870 451312262 /nfs/dbraw/zinc/31/22/62/451312262.db2.gz POCLXAKAAYNMDA-KBAYOESNSA-N 2 2 331.508 1.829 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000640530701 451382653 /nfs/dbraw/zinc/38/26/53/451382653.db2.gz BLRZLQNJFBJRCB-GOSISDBHSA-N 3 2 338.540 1.737 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000640530701 451382658 /nfs/dbraw/zinc/38/26/58/451382658.db2.gz BLRZLQNJFBJRCB-GOSISDBHSA-N 3 2 338.540 1.737 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000638254252 451383608 /nfs/dbraw/zinc/38/36/08/451383608.db2.gz DPWFIYLXEVJOGV-UHFFFAOYSA-N 2 2 334.464 1.709 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000638186733 451344686 /nfs/dbraw/zinc/34/46/86/451344686.db2.gz ZGTCYQSAJZJULO-ROUUACIJSA-N 3 2 331.460 1.049 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccco1 ZINC000636662025 451393058 /nfs/dbraw/zinc/39/30/58/451393058.db2.gz KQSNLXSUHJIQEU-CABCVRRESA-N 2 2 338.452 1.292 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)c1ccco1 ZINC000636662025 451393061 /nfs/dbraw/zinc/39/30/61/451393061.db2.gz KQSNLXSUHJIQEU-CABCVRRESA-N 2 2 338.452 1.292 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000628753714 451398012 /nfs/dbraw/zinc/39/80/12/451398012.db2.gz YWPPTHUJYSQEDF-KRWDZBQOSA-N 2 2 345.491 1.052 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000628753714 451398015 /nfs/dbraw/zinc/39/80/15/451398015.db2.gz YWPPTHUJYSQEDF-KRWDZBQOSA-N 2 2 345.491 1.052 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H]1CCC[N@H+]1CCCO ZINC000635976145 451411022 /nfs/dbraw/zinc/41/10/22/451411022.db2.gz WJSYQEYQLXHJTI-STQMWFEESA-N 2 2 348.369 1.340 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635976796 451412641 /nfs/dbraw/zinc/41/26/41/451412641.db2.gz NJEJNVRCPRLPGQ-OAHLLOKOSA-N 2 2 344.415 1.155 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635976796 451412650 /nfs/dbraw/zinc/41/26/50/451412650.db2.gz NJEJNVRCPRLPGQ-OAHLLOKOSA-N 2 2 344.415 1.155 20 0 EDADLP CO[C@@](C)(C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000638350800 451451187 /nfs/dbraw/zinc/45/11/87/451451187.db2.gz BIQKOMYMNUZBES-SFHVURJKSA-N 2 2 333.480 1.393 20 0 EDADLP C[C@H]([C@H](C)NC(=O)Nc1ccnc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000640614152 451460571 /nfs/dbraw/zinc/46/05/71/451460571.db2.gz MVJFMVFVXHOIEP-UONOGXRCSA-N 2 2 335.452 1.374 20 0 EDADLP CCc1cc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)n(C)n1 ZINC000636052237 451468301 /nfs/dbraw/zinc/46/83/01/451468301.db2.gz IGMSMRWGVHGJJC-UHFFFAOYSA-N 2 2 347.507 1.615 20 0 EDADLP CCc1cc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)n(C)n1 ZINC000636052237 451468304 /nfs/dbraw/zinc/46/83/04/451468304.db2.gz IGMSMRWGVHGJJC-UHFFFAOYSA-N 2 2 347.507 1.615 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H](C3CC[NH2+]CC3)C1)CC2 ZINC000638401749 451490796 /nfs/dbraw/zinc/49/07/96/451490796.db2.gz WUDLPRFVXZMLKM-DLBZAZTESA-N 2 2 330.476 1.992 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC([C@H]3CCC[NH2+]C3)CC1)CC2 ZINC000638401837 451491041 /nfs/dbraw/zinc/49/10/41/451491041.db2.gz HONQLUATRFUQIB-IRXDYDNUSA-N 2 2 330.476 1.992 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)C1CC1 ZINC000634723835 451504406 /nfs/dbraw/zinc/50/44/06/451504406.db2.gz DUORAMVBXAEZEL-CJNGLKHVSA-N 2 2 330.831 1.947 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC(F)(F)CC3)C2)CC1 ZINC000636791275 451512292 /nfs/dbraw/zinc/51/22/92/451512292.db2.gz FFSZUXPYOZKIBV-CQSZACIVSA-N 2 2 344.450 1.986 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC(F)(F)CC3)C2)CC1 ZINC000636791275 451512297 /nfs/dbraw/zinc/51/22/97/451512297.db2.gz FFSZUXPYOZKIBV-CQSZACIVSA-N 2 2 344.450 1.986 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000636799170 451518688 /nfs/dbraw/zinc/51/86/88/451518688.db2.gz MDGVMNUPMKTEQL-GOSISDBHSA-N 2 2 333.476 1.606 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000636799170 451518692 /nfs/dbraw/zinc/51/86/92/451518692.db2.gz MDGVMNUPMKTEQL-GOSISDBHSA-N 2 2 333.476 1.606 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCOC4(CC[NH+](C)CC4)C3)cc2[nH+]1 ZINC000636108823 451520427 /nfs/dbraw/zinc/52/04/27/451520427.db2.gz VGYFMQLHKYWYAO-UHFFFAOYSA-N 2 2 328.416 1.580 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)OCCc2ccccc21 ZINC000640700605 451521382 /nfs/dbraw/zinc/52/13/82/451521382.db2.gz MLFHKFPTDXQDHI-IBGZPJMESA-N 2 2 333.476 1.474 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)OCCc2ccccc21 ZINC000640700605 451521389 /nfs/dbraw/zinc/52/13/89/451521389.db2.gz MLFHKFPTDXQDHI-IBGZPJMESA-N 2 2 333.476 1.474 20 0 EDADLP O[C@]1(C[N@@H+]2CCO[C@H](C(F)F)CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634759755 451530609 /nfs/dbraw/zinc/53/06/09/451530609.db2.gz PCTSZSLBZBJPJE-WMZOPIPTSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@]1(C[N@H+]2CCO[C@H](C(F)F)CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634759755 451530613 /nfs/dbraw/zinc/53/06/13/451530613.db2.gz PCTSZSLBZBJPJE-WMZOPIPTSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@H](C(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634759755 451530617 /nfs/dbraw/zinc/53/06/17/451530617.db2.gz PCTSZSLBZBJPJE-WMZOPIPTSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@H](C(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634759755 451530619 /nfs/dbraw/zinc/53/06/19/451530619.db2.gz PCTSZSLBZBJPJE-WMZOPIPTSA-N 2 2 340.414 1.979 20 0 EDADLP COc1cc(C[C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccn1 ZINC000638482364 451535158 /nfs/dbraw/zinc/53/51/58/451535158.db2.gz RACRWWHRFPXVHP-DOTOQJQBSA-N 2 2 348.491 1.554 20 0 EDADLP COc1cc(C[C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccn1 ZINC000638482364 451535159 /nfs/dbraw/zinc/53/51/59/451535159.db2.gz RACRWWHRFPXVHP-DOTOQJQBSA-N 2 2 348.491 1.554 20 0 EDADLP COc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000638482231 451535770 /nfs/dbraw/zinc/53/57/70/451535770.db2.gz PEBGITIUCDVZPY-ZDUSSCGKSA-N 2 2 326.466 1.184 20 0 EDADLP COc1ncc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC000638482231 451535775 /nfs/dbraw/zinc/53/57/75/451535775.db2.gz PEBGITIUCDVZPY-ZDUSSCGKSA-N 2 2 326.466 1.184 20 0 EDADLP NS(=O)(=O)c1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1Cl ZINC000631029468 451542162 /nfs/dbraw/zinc/54/21/62/451542162.db2.gz CAAXMBFDWCVCOD-UHFFFAOYSA-N 2 2 328.825 1.364 20 0 EDADLP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nncn1C ZINC000634714688 451495741 /nfs/dbraw/zinc/49/57/41/451495741.db2.gz OZWQUHDPODGESO-MJGOQNOKSA-N 2 2 343.475 1.739 20 0 EDADLP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nncn1C ZINC000634714688 451495744 /nfs/dbraw/zinc/49/57/44/451495744.db2.gz OZWQUHDPODGESO-MJGOQNOKSA-N 2 2 343.475 1.739 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000636159590 451554153 /nfs/dbraw/zinc/55/41/53/451554153.db2.gz CZZXECIGECRBSS-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@H]1CC[NH+](C)C1 ZINC000636159590 451554156 /nfs/dbraw/zinc/55/41/56/451554156.db2.gz CZZXECIGECRBSS-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@H]1CC[NH+](C)C1 ZINC000636159590 451554159 /nfs/dbraw/zinc/55/41/59/451554159.db2.gz CZZXECIGECRBSS-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP O[C@H]1CC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631122384 451596472 /nfs/dbraw/zinc/59/64/72/451596472.db2.gz XVOLVHRUQKHJTD-ROUUACIJSA-N 2 2 334.460 1.648 20 0 EDADLP C1=CCN(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631127452 451598542 /nfs/dbraw/zinc/59/85/42/451598542.db2.gz YFDFANCCIJPRBL-UHFFFAOYSA-N 2 2 345.487 1.749 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C[C@H](C)[NH2+]1 ZINC000636230476 451606470 /nfs/dbraw/zinc/60/64/70/451606470.db2.gz BWMAOPGELZNZPT-YXJHDRRASA-N 2 2 331.460 1.868 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C[C@H](C)[NH2+]1 ZINC000636230476 451606476 /nfs/dbraw/zinc/60/64/76/451606476.db2.gz BWMAOPGELZNZPT-YXJHDRRASA-N 2 2 331.460 1.868 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CC1=CCOCC1 ZINC000631147659 451608372 /nfs/dbraw/zinc/60/83/72/451608372.db2.gz HRIPYEPFEQGHBN-UHFFFAOYSA-N 2 2 332.444 1.834 20 0 EDADLP Cc1nc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000631095041 451580045 /nfs/dbraw/zinc/58/00/45/451580045.db2.gz ZTTHHHGOIUMDFN-UHFFFAOYSA-N 2 2 326.448 1.907 20 0 EDADLP Cc1nc(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000631095041 451580051 /nfs/dbraw/zinc/58/00/51/451580051.db2.gz ZTTHHHGOIUMDFN-UHFFFAOYSA-N 2 2 326.448 1.907 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000636883243 451580892 /nfs/dbraw/zinc/58/08/92/451580892.db2.gz NYFINVGTYDBTRS-HNNXBMFYSA-N 2 2 331.464 1.904 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632870770 451624060 /nfs/dbraw/zinc/62/40/60/451624060.db2.gz KASWAIDYDPZZQG-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cnn2c1CCCC2 ZINC000631275318 451676392 /nfs/dbraw/zinc/67/63/92/451676392.db2.gz DBCYQTNNDHATLD-UHFFFAOYSA-N 2 2 347.507 1.246 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cnn2c1CCCC2 ZINC000631275318 451676393 /nfs/dbraw/zinc/67/63/93/451676393.db2.gz DBCYQTNNDHATLD-UHFFFAOYSA-N 2 2 347.507 1.246 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000638810534 451698306 /nfs/dbraw/zinc/69/83/06/451698306.db2.gz VHGLZBIMKNQFQB-ZNMIVQPWSA-N 2 2 343.830 1.704 20 0 EDADLP CN(C(=O)c1nnc(C(C)(C)C)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631364683 451712531 /nfs/dbraw/zinc/71/25/31/451712531.db2.gz USXSQBOFKJATHS-CQSZACIVSA-N 2 2 349.479 1.608 20 0 EDADLP CN(C(=O)c1nnc(C(C)(C)C)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631364683 451712533 /nfs/dbraw/zinc/71/25/33/451712533.db2.gz USXSQBOFKJATHS-CQSZACIVSA-N 2 2 349.479 1.608 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ocnc1C(F)(F)F ZINC000638984661 451745605 /nfs/dbraw/zinc/74/56/05/451745605.db2.gz ZHMAJHVZAQKUIL-UHFFFAOYSA-N 2 2 341.293 1.750 20 0 EDADLP C[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[NH+]1CCCCCC1 ZINC000638984844 451745937 /nfs/dbraw/zinc/74/59/37/451745937.db2.gz TWBYZTFYEJVHRF-OAHLLOKOSA-N 3 2 331.464 1.694 20 0 EDADLP C[C@]([NH3+])(C(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000639005605 451751817 /nfs/dbraw/zinc/75/18/17/451751817.db2.gz XWZXZZXTWJCWDN-LJQANCHMSA-N 2 2 339.443 1.037 20 0 EDADLP c1c([C@@H]2COCC[NH2+]2)nnn1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000641179483 451770514 /nfs/dbraw/zinc/77/05/14/451770514.db2.gz MTXVYYQXWFUGSU-IBGZPJMESA-N 2 2 341.459 1.973 20 0 EDADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639176004 451786451 /nfs/dbraw/zinc/78/64/51/451786451.db2.gz SWQYOLMCFKOZAP-UHFFFAOYSA-N 2 2 333.885 1.761 20 0 EDADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639176004 451786453 /nfs/dbraw/zinc/78/64/53/451786453.db2.gz SWQYOLMCFKOZAP-UHFFFAOYSA-N 2 2 333.885 1.761 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179390 451786698 /nfs/dbraw/zinc/78/66/98/451786698.db2.gz SNYVEYSTQLISPY-RISCZKNCSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179390 451786701 /nfs/dbraw/zinc/78/67/01/451786701.db2.gz SNYVEYSTQLISPY-RISCZKNCSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179390 451786702 /nfs/dbraw/zinc/78/67/02/451786702.db2.gz SNYVEYSTQLISPY-RISCZKNCSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179390 451786705 /nfs/dbraw/zinc/78/67/05/451786705.db2.gz SNYVEYSTQLISPY-RISCZKNCSA-N 2 2 345.896 1.759 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000641284751 451809309 /nfs/dbraw/zinc/80/93/09/451809309.db2.gz QWVZITPCMQAXFJ-UHFFFAOYSA-N 2 2 326.466 1.163 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000641294122 451819420 /nfs/dbraw/zinc/81/94/20/451819420.db2.gz GJJCWISBMVCPSE-CQSZACIVSA-N 2 2 335.473 1.190 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000641294122 451819425 /nfs/dbraw/zinc/81/94/25/451819425.db2.gz GJJCWISBMVCPSE-CQSZACIVSA-N 2 2 335.473 1.190 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000641294122 451819429 /nfs/dbraw/zinc/81/94/29/451819429.db2.gz GJJCWISBMVCPSE-CQSZACIVSA-N 2 2 335.473 1.190 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000641294122 451819430 /nfs/dbraw/zinc/81/94/30/451819430.db2.gz GJJCWISBMVCPSE-CQSZACIVSA-N 2 2 335.473 1.190 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000639330161 451828959 /nfs/dbraw/zinc/82/89/59/451828959.db2.gz RHIYJLGKYNVCBZ-OALUTQOASA-N 2 2 346.471 1.866 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000639330161 451828966 /nfs/dbraw/zinc/82/89/66/451828966.db2.gz RHIYJLGKYNVCBZ-OALUTQOASA-N 2 2 346.471 1.866 20 0 EDADLP OCCCCOc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000639331751 451830904 /nfs/dbraw/zinc/83/09/04/451830904.db2.gz YTWINPCGZIEKTI-LJQANCHMSA-N 2 2 348.487 1.869 20 0 EDADLP OCCCCOc1ccccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000639331751 451830907 /nfs/dbraw/zinc/83/09/07/451830907.db2.gz YTWINPCGZIEKTI-LJQANCHMSA-N 2 2 348.487 1.869 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000639335713 451833377 /nfs/dbraw/zinc/83/33/77/451833377.db2.gz QVBGIQVBBWCPQR-UHFFFAOYSA-N 2 2 332.444 1.620 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CCC2(COC2)C1 ZINC000639335713 451833381 /nfs/dbraw/zinc/83/33/81/451833381.db2.gz QVBGIQVBBWCPQR-UHFFFAOYSA-N 2 2 332.444 1.620 20 0 EDADLP C[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)[C@@H](CO)C1 ZINC000639337191 451833488 /nfs/dbraw/zinc/83/34/88/451833488.db2.gz PUYUWJIZRYFCDL-CYBMUJFWSA-N 2 2 339.237 1.205 20 0 EDADLP C[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)[C@@H](CO)C1 ZINC000639337191 451833492 /nfs/dbraw/zinc/83/34/92/451833492.db2.gz PUYUWJIZRYFCDL-CYBMUJFWSA-N 2 2 339.237 1.205 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000644519085 451835884 /nfs/dbraw/zinc/83/58/84/451835884.db2.gz QPZSEZGGWPQHMG-GOSISDBHSA-N 2 2 327.428 1.368 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000644519085 451835889 /nfs/dbraw/zinc/83/58/89/451835889.db2.gz QPZSEZGGWPQHMG-GOSISDBHSA-N 2 2 327.428 1.368 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCN1CCOC(C)(C)C1 ZINC000644534864 451848374 /nfs/dbraw/zinc/84/83/74/451848374.db2.gz SPDNKZBWJXVPLM-GOSISDBHSA-N 2 2 335.492 1.180 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCN1CCOC(C)(C)C1 ZINC000644534864 451848377 /nfs/dbraw/zinc/84/83/77/451848377.db2.gz SPDNKZBWJXVPLM-GOSISDBHSA-N 2 2 335.492 1.180 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)ccc2n1C1CC1 ZINC000653348587 451860289 /nfs/dbraw/zinc/86/02/89/451860289.db2.gz LTWDOXDISAPOER-LIRRHRJNSA-N 2 2 340.427 1.532 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2c(F)cccc2OC(F)F)CC1 ZINC000644580926 451874365 /nfs/dbraw/zinc/87/43/65/451874365.db2.gz XJPHADGTMQUCAJ-GFCCVEGCSA-N 2 2 347.381 1.125 20 0 EDADLP O[C@@]1(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639515806 451918460 /nfs/dbraw/zinc/91/84/60/451918460.db2.gz YHHUWSSAYNJTNX-HOTGVXAUSA-N 2 2 344.377 1.623 20 0 EDADLP O[C@@]1(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639515806 451918463 /nfs/dbraw/zinc/91/84/63/451918463.db2.gz YHHUWSSAYNJTNX-HOTGVXAUSA-N 2 2 344.377 1.623 20 0 EDADLP O[C@@]1(C[NH+]2CC[C@@](O)(C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639515806 451918472 /nfs/dbraw/zinc/91/84/72/451918472.db2.gz YHHUWSSAYNJTNX-HOTGVXAUSA-N 2 2 344.377 1.623 20 0 EDADLP COC[C@]1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC[NH2+]1 ZINC000649278138 451949576 /nfs/dbraw/zinc/94/95/76/451949576.db2.gz NSYMRRHWYDDZBU-INIZCTEOSA-N 2 2 338.477 1.836 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1C[NH2+]CCC1(F)F ZINC000649279424 451950913 /nfs/dbraw/zinc/95/09/13/451950913.db2.gz NUGXMRMMFAOHLT-OAHLLOKOSA-N 2 2 339.386 1.702 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000649269959 451942727 /nfs/dbraw/zinc/94/27/27/451942727.db2.gz AEZWHBOVBGCDQC-AEFFLSMTSA-N 3 2 341.459 1.060 20 0 EDADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000642739077 451944747 /nfs/dbraw/zinc/94/47/47/451944747.db2.gz MDBSYPDMHIHCBT-HOTGVXAUSA-N 2 2 346.475 1.099 20 0 EDADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000642739077 451944754 /nfs/dbraw/zinc/94/47/54/451944754.db2.gz MDBSYPDMHIHCBT-HOTGVXAUSA-N 2 2 346.475 1.099 20 0 EDADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000649277232 451947664 /nfs/dbraw/zinc/94/76/64/451947664.db2.gz OLIAQUSLWNXCJW-CYBMUJFWSA-N 2 2 328.416 1.937 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)COC1(C)C[NH2+]C1)c1ccc(F)cc1 ZINC000649282301 451954343 /nfs/dbraw/zinc/95/43/43/451954343.db2.gz RQDGFBITRVHJKU-OAHLLOKOSA-N 2 2 332.379 1.143 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)COC1(C)C[NH2+]C1)c1ccccc1F ZINC000649282782 451955408 /nfs/dbraw/zinc/95/54/08/451955408.db2.gz GMRBKUBEERXWEL-HNNXBMFYSA-N 2 2 332.379 1.143 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)COC1(C)C[NH2+]C1)c1ccccc1F ZINC000649282783 451955449 /nfs/dbraw/zinc/95/54/49/451955449.db2.gz GMRBKUBEERXWEL-OAHLLOKOSA-N 2 2 332.379 1.143 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000649285854 451959109 /nfs/dbraw/zinc/95/91/09/451959109.db2.gz ZFYRKBPVOWONJX-ZIAGYGMSSA-N 2 2 330.432 1.140 20 0 EDADLP COC[C@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCC[NH2+]1 ZINC000649289662 451964029 /nfs/dbraw/zinc/96/40/29/451964029.db2.gz HMNCJFWCLGIFCV-SFHVURJKSA-N 2 2 332.448 1.457 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651631394 451976959 /nfs/dbraw/zinc/97/69/59/451976959.db2.gz LPGKPAIYCILPSZ-UHFFFAOYSA-N 2 2 328.416 1.568 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)COC1(C)C[NH2+]C1 ZINC000649332035 452013122 /nfs/dbraw/zinc/01/31/22/452013122.db2.gz RXAYGGCPCCNORR-UHFFFAOYSA-N 2 2 328.416 1.268 20 0 EDADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000647035015 452016738 /nfs/dbraw/zinc/01/67/38/452016738.db2.gz OWIZZSWVILWHSL-RDJZCZTQSA-N 2 2 330.407 1.632 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641491198 452022591 /nfs/dbraw/zinc/02/25/91/452022591.db2.gz NMJPOYFNZIUMRL-UHFFFAOYSA-N 2 2 334.445 1.029 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641491198 452022597 /nfs/dbraw/zinc/02/25/97/452022597.db2.gz NMJPOYFNZIUMRL-UHFFFAOYSA-N 2 2 334.445 1.029 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000649352579 452037469 /nfs/dbraw/zinc/03/74/69/452037469.db2.gz XNLDSIYSKAIXRY-INIZCTEOSA-N 2 2 333.480 1.325 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000649357677 452040440 /nfs/dbraw/zinc/04/04/40/452040440.db2.gz ADNJPLOSLYQWEQ-JZXOWHBKSA-N 3 2 341.459 1.187 20 0 EDADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C[NH3+])OC ZINC000649379238 452052420 /nfs/dbraw/zinc/05/24/20/452052420.db2.gz UZSUTGMABDNPIT-WBAXXEDZSA-N 2 2 348.491 1.423 20 0 EDADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C[NH3+])OC ZINC000649379238 452052427 /nfs/dbraw/zinc/05/24/27/452052427.db2.gz UZSUTGMABDNPIT-WBAXXEDZSA-N 2 2 348.491 1.423 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC000644935912 452074278 /nfs/dbraw/zinc/07/42/78/452074278.db2.gz RICBJZQZGZDYHH-BQFCYCMXSA-N 2 2 334.508 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC000644935912 452074284 /nfs/dbraw/zinc/07/42/84/452074284.db2.gz RICBJZQZGZDYHH-BQFCYCMXSA-N 2 2 334.508 1.890 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000649409627 452074307 /nfs/dbraw/zinc/07/43/07/452074307.db2.gz FZCUKSWEEDSAOY-UHFFFAOYSA-N 2 2 336.386 1.957 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000649409627 452074312 /nfs/dbraw/zinc/07/43/12/452074312.db2.gz FZCUKSWEEDSAOY-UHFFFAOYSA-N 2 2 336.386 1.957 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649414917 452078920 /nfs/dbraw/zinc/07/89/20/452078920.db2.gz AAHXEZIZBOSYRF-YJBOKZPZSA-N 3 2 334.508 1.193 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649414917 452078924 /nfs/dbraw/zinc/07/89/24/452078924.db2.gz AAHXEZIZBOSYRF-YJBOKZPZSA-N 3 2 334.508 1.193 20 0 EDADLP CC1CCC(N(C)C(=O)C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000639765574 452106890 /nfs/dbraw/zinc/10/68/90/452106890.db2.gz KAYQMQDMGCTNCN-LEOMRAHMSA-N 2 2 325.497 1.412 20 0 EDADLP CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000639765574 452106896 /nfs/dbraw/zinc/10/68/96/452106896.db2.gz KAYQMQDMGCTNCN-LEOMRAHMSA-N 2 2 325.497 1.412 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000641627786 452147981 /nfs/dbraw/zinc/14/79/81/452147981.db2.gz SWULSGZRYTXMOO-HNNXBMFYSA-N 2 2 326.466 1.210 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000641627786 452147988 /nfs/dbraw/zinc/14/79/88/452147988.db2.gz SWULSGZRYTXMOO-HNNXBMFYSA-N 2 2 326.466 1.210 20 0 EDADLP CC(C)Oc1cc[nH+]c(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000649566571 452148299 /nfs/dbraw/zinc/14/82/99/452148299.db2.gz PKMIHMDKZZZOII-SFHVURJKSA-N 2 2 346.475 1.783 20 0 EDADLP CC(C)Oc1cc[nH+]c(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000649566571 452148303 /nfs/dbraw/zinc/14/83/03/452148303.db2.gz PKMIHMDKZZZOII-SFHVURJKSA-N 2 2 346.475 1.783 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000649614909 452169200 /nfs/dbraw/zinc/16/92/00/452169200.db2.gz LOTYJUHZJZGMNM-HNNXBMFYSA-N 2 2 328.416 1.500 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000649614909 452169203 /nfs/dbraw/zinc/16/92/03/452169203.db2.gz LOTYJUHZJZGMNM-HNNXBMFYSA-N 2 2 328.416 1.500 20 0 EDADLP C[C@H](O)C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000653900418 452169733 /nfs/dbraw/zinc/16/97/33/452169733.db2.gz ACKUVDDZYPDXAB-AWEZNQCLSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H](O)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000653900418 452169735 /nfs/dbraw/zinc/16/97/35/452169735.db2.gz ACKUVDDZYPDXAB-AWEZNQCLSA-N 2 2 337.489 1.238 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](Cc2ccccc2)c2ncco2)CC1 ZINC000653913046 452171828 /nfs/dbraw/zinc/17/18/28/452171828.db2.gz OTWBZMYZWQCRSP-KRWDZBQOSA-N 2 2 342.443 1.712 20 0 EDADLP O=C1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CN1C1CC1 ZINC000651992305 452210045 /nfs/dbraw/zinc/21/00/45/452210045.db2.gz CNDDDFCTMKKRHC-HNNXBMFYSA-N 2 2 328.460 1.647 20 0 EDADLP CCn1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(-c2ccccc2)n1 ZINC000641720966 452219538 /nfs/dbraw/zinc/21/95/38/452219538.db2.gz YRZBXQYNEXCBFB-SFHVURJKSA-N 2 2 327.476 1.905 20 0 EDADLP CCn1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(-c2ccccc2)n1 ZINC000641720966 452219548 /nfs/dbraw/zinc/21/95/48/452219548.db2.gz YRZBXQYNEXCBFB-SFHVURJKSA-N 2 2 327.476 1.905 20 0 EDADLP CC(C)([NH3+])CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000645225330 452220721 /nfs/dbraw/zinc/22/07/21/452220721.db2.gz AATZLJXOVFFJNR-UHFFFAOYSA-N 2 2 333.432 1.229 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000645225921 452221782 /nfs/dbraw/zinc/22/17/82/452221782.db2.gz UWTCKADSTOUUJB-LJQANCHMSA-N 2 2 347.459 1.620 20 0 EDADLP CSc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000641728325 452224782 /nfs/dbraw/zinc/22/47/82/452224782.db2.gz PHPYLRKIBZAOHT-AWEZNQCLSA-N 2 2 325.478 1.498 20 0 EDADLP C[C@H]([NH3+])[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCO1 ZINC000647507816 452244151 /nfs/dbraw/zinc/24/41/51/452244151.db2.gz YJDZEOWFIFKXTE-GXFFZTMASA-N 2 2 339.237 1.645 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000641772327 452245834 /nfs/dbraw/zinc/24/58/34/452245834.db2.gz OYEQNOFBEQBYTA-KRWDZBQOSA-N 2 2 331.464 1.665 20 0 EDADLP c1c2cccnc2oc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786442 452259350 /nfs/dbraw/zinc/25/93/50/452259350.db2.gz AIANJJLZDULTEW-QGZVFWFLSA-N 2 2 344.459 1.714 20 0 EDADLP c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)nc2c1CCC2 ZINC000641786470 452259422 /nfs/dbraw/zinc/25/94/22/452259422.db2.gz BTJKMNBUFPAPJQ-IBGZPJMESA-N 2 2 344.503 1.457 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000663553492 452263398 /nfs/dbraw/zinc/26/33/98/452263398.db2.gz QSSQCWFXKWATAR-UHFFFAOYSA-N 3 2 341.544 1.290 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000663553492 452263404 /nfs/dbraw/zinc/26/34/04/452263404.db2.gz QSSQCWFXKWATAR-UHFFFAOYSA-N 3 2 341.544 1.290 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659424739 452265889 /nfs/dbraw/zinc/26/58/89/452265889.db2.gz FBYAZWWNXSRUEX-HFCFLWKCSA-N 2 2 344.459 1.020 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659424739 452265897 /nfs/dbraw/zinc/26/58/97/452265897.db2.gz FBYAZWWNXSRUEX-HFCFLWKCSA-N 2 2 344.459 1.020 20 0 EDADLP C[N@@H+]1CCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)[C@@H](C[NH3+])C1 ZINC000647539552 452272380 /nfs/dbraw/zinc/27/23/80/452272380.db2.gz OVVVKXAGNKRSTM-ZDUSSCGKSA-N 2 2 338.818 1.135 20 0 EDADLP C[N@H+]1CCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)[C@@H](C[NH3+])C1 ZINC000647539552 452272388 /nfs/dbraw/zinc/27/23/88/452272388.db2.gz OVVVKXAGNKRSTM-ZDUSSCGKSA-N 2 2 338.818 1.135 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000638035726 452289913 /nfs/dbraw/zinc/28/99/13/452289913.db2.gz UEOQNHNCAMEBSS-KRWDZBQOSA-N 2 2 346.475 1.455 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000638035726 452289921 /nfs/dbraw/zinc/28/99/21/452289921.db2.gz UEOQNHNCAMEBSS-KRWDZBQOSA-N 2 2 346.475 1.455 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643541166 452301948 /nfs/dbraw/zinc/30/19/48/452301948.db2.gz QCFBEMGXZQASSP-AWEZNQCLSA-N 2 2 347.463 1.296 20 0 EDADLP CCO[C@@H]1CN(C(=O)NCCC[N@H+](CC)c2ccccc2)C[C@H]1C[NH3+] ZINC000652121242 452317140 /nfs/dbraw/zinc/31/71/40/452317140.db2.gz AZKFLHLHTPNCNM-SJLPKXTDSA-N 2 2 348.491 1.908 20 0 EDADLP CCO[C@@H]1CN(C(=O)NCCC[N@@H+](CC)c2ccccc2)C[C@H]1C[NH3+] ZINC000652121242 452317152 /nfs/dbraw/zinc/31/71/52/452317152.db2.gz AZKFLHLHTPNCNM-SJLPKXTDSA-N 2 2 348.491 1.908 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000641941861 452348138 /nfs/dbraw/zinc/34/81/38/452348138.db2.gz SLEWGJXPCBJZLO-GJZGRUSLSA-N 2 2 334.464 1.567 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000638061034 452352002 /nfs/dbraw/zinc/35/20/02/452352002.db2.gz XGDPIRPWPGMXGD-SJORKVTESA-N 2 2 335.448 1.168 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000638061234 452355655 /nfs/dbraw/zinc/35/56/55/452355655.db2.gz CDAKHJHODQCTNP-APWZRJJASA-N 2 2 346.475 1.845 20 0 EDADLP CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)O ZINC000655551713 452369728 /nfs/dbraw/zinc/36/97/28/452369728.db2.gz DCNUGQMVAIGQDE-ZFWWWQNUSA-N 2 2 326.485 1.004 20 0 EDADLP CC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)O ZINC000655551713 452369736 /nfs/dbraw/zinc/36/97/36/452369736.db2.gz DCNUGQMVAIGQDE-ZFWWWQNUSA-N 2 2 326.485 1.004 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000638079287 452396600 /nfs/dbraw/zinc/39/66/00/452396600.db2.gz LUDINZCAXYUXIJ-WMZOPIPTSA-N 2 2 333.432 1.224 20 0 EDADLP CC(C)(CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000654349216 452400606 /nfs/dbraw/zinc/40/06/06/452400606.db2.gz BQVROKCGVVJVGM-CVEARBPZSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000654349216 452400608 /nfs/dbraw/zinc/40/06/08/452400608.db2.gz BQVROKCGVVJVGM-CVEARBPZSA-N 2 2 338.496 1.413 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)CO ZINC000663681163 452416270 /nfs/dbraw/zinc/41/62/70/452416270.db2.gz JGAGZJXQAQYXEJ-KFWWJZLASA-N 2 2 349.479 1.406 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)CO ZINC000663681163 452416278 /nfs/dbraw/zinc/41/62/78/452416278.db2.gz JGAGZJXQAQYXEJ-KFWWJZLASA-N 2 2 349.479 1.406 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661681135 452489426 /nfs/dbraw/zinc/48/94/26/452489426.db2.gz NKEPLVGHGWVUCS-OAHLLOKOSA-N 2 2 348.472 1.646 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661681135 452489430 /nfs/dbraw/zinc/48/94/30/452489430.db2.gz NKEPLVGHGWVUCS-OAHLLOKOSA-N 2 2 348.472 1.646 20 0 EDADLP c1[nH]nc(-c2cccnc2)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750643 452499296 /nfs/dbraw/zinc/49/92/96/452499296.db2.gz KWOPXCKSNWSZGX-QGZVFWFLSA-N 2 2 327.432 1.815 20 0 EDADLP Cc1cc(C)n2c(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cnc2n1 ZINC000657751036 452499968 /nfs/dbraw/zinc/49/99/68/452499968.db2.gz NKAXKLFPUVZZOI-INIZCTEOSA-N 2 2 329.448 1.689 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NCc1ccccc1 ZINC000655702189 452524839 /nfs/dbraw/zinc/52/48/39/452524839.db2.gz ZCARSJQKEJHRQE-QAPCUYQASA-N 2 2 331.460 1.534 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cn1 ZINC000655715749 452533437 /nfs/dbraw/zinc/53/34/37/452533437.db2.gz NGNGRDXZNJRBIL-IAGOWNOFSA-N 2 2 333.480 1.232 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652357894 452538101 /nfs/dbraw/zinc/53/81/01/452538101.db2.gz LKWDJFVFLCFWJK-QZTJIDSGSA-N 2 2 333.476 1.503 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652357894 452538107 /nfs/dbraw/zinc/53/81/07/452538107.db2.gz LKWDJFVFLCFWJK-QZTJIDSGSA-N 2 2 333.476 1.503 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC[C@H]3CCOC3)C2)CC1 ZINC000652370978 452560021 /nfs/dbraw/zinc/56/00/21/452560021.db2.gz ZGYMQYHWVPTNLW-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC[C@H]3CCOC3)C2)CC1 ZINC000652370978 452560030 /nfs/dbraw/zinc/56/00/30/452560030.db2.gz ZGYMQYHWVPTNLW-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)nc(N2CCOCC2)c1 ZINC000655757041 452561481 /nfs/dbraw/zinc/56/14/81/452561481.db2.gz OGUHLIROTJWNSX-SFHVURJKSA-N 2 2 346.475 1.261 20 0 EDADLP CNC(=O)C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655764607 452564905 /nfs/dbraw/zinc/56/49/05/452564905.db2.gz MDZQYWGWZYTWMI-ZWKOTPCHSA-N 2 2 331.460 1.707 20 0 EDADLP C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661773578 452569755 /nfs/dbraw/zinc/56/97/55/452569755.db2.gz IVICFYZJDJTPJW-SJLPKXTDSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661773578 452569764 /nfs/dbraw/zinc/56/97/64/452569764.db2.gz IVICFYZJDJTPJW-SJLPKXTDSA-N 2 2 331.460 1.176 20 0 EDADLP CC(=O)Nc1ccc(S(=O)(=O)CCC[N@H+](C)CCC[NH3+])cc1 ZINC000647848187 452582386 /nfs/dbraw/zinc/58/23/86/452582386.db2.gz JSIUIBLPUZFQJH-UHFFFAOYSA-N 2 2 327.450 1.089 20 0 EDADLP CC(=O)Nc1ccc(S(=O)(=O)CCC[N@@H+](C)CCC[NH3+])cc1 ZINC000647848187 452582394 /nfs/dbraw/zinc/58/23/94/452582394.db2.gz JSIUIBLPUZFQJH-UHFFFAOYSA-N 2 2 327.450 1.089 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901567 452643920 /nfs/dbraw/zinc/64/39/20/452643920.db2.gz QPDJPVIJOPAAAO-MSOLQXFVSA-N 2 2 345.487 1.818 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901567 452643923 /nfs/dbraw/zinc/64/39/23/452643923.db2.gz QPDJPVIJOPAAAO-MSOLQXFVSA-N 2 2 345.487 1.818 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903854 452645412 /nfs/dbraw/zinc/64/54/12/452645412.db2.gz QXWPBPXTGQGBBO-WBVHZDCISA-N 2 2 326.444 1.861 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903854 452645422 /nfs/dbraw/zinc/64/54/22/452645422.db2.gz QXWPBPXTGQGBBO-WBVHZDCISA-N 2 2 326.444 1.861 20 0 EDADLP Cn1cc(C[N@H+](CCC2CCCCC2)[C@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000647916426 452653887 /nfs/dbraw/zinc/65/38/87/452653887.db2.gz KCCYTSSQRABFBA-KRWDZBQOSA-N 2 2 348.491 1.218 20 0 EDADLP Cn1cc(C[N@@H+](CCC2CCCCC2)[C@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000647916426 452653891 /nfs/dbraw/zinc/65/38/91/452653891.db2.gz KCCYTSSQRABFBA-KRWDZBQOSA-N 2 2 348.491 1.218 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647927098 452663596 /nfs/dbraw/zinc/66/35/96/452663596.db2.gz YXEDLPLQYHHZKL-UHFFFAOYSA-N 2 2 335.448 1.394 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000655913490 452671887 /nfs/dbraw/zinc/67/18/87/452671887.db2.gz UXBTXUNMCKRXTK-NSHDSACASA-N 2 2 336.383 1.465 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000666213396 452690562 /nfs/dbraw/zinc/69/05/62/452690562.db2.gz DQLAICLAFQYHHS-KBPBESRZSA-N 2 2 344.419 1.498 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000666213396 452690571 /nfs/dbraw/zinc/69/05/71/452690571.db2.gz DQLAICLAFQYHHS-KBPBESRZSA-N 2 2 344.419 1.498 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000655932375 452702778 /nfs/dbraw/zinc/70/27/78/452702778.db2.gz ZUXCLAZXLJBDJH-CRAIPNDOSA-N 2 2 341.459 1.925 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000655932375 452702787 /nfs/dbraw/zinc/70/27/87/452702787.db2.gz ZUXCLAZXLJBDJH-CRAIPNDOSA-N 2 2 341.459 1.925 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000647968788 452713492 /nfs/dbraw/zinc/71/34/92/452713492.db2.gz YITYZQKUSWGAHU-HZPDHXFCSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000647968788 452713496 /nfs/dbraw/zinc/71/34/96/452713496.db2.gz YITYZQKUSWGAHU-HZPDHXFCSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000647968788 452713500 /nfs/dbraw/zinc/71/35/00/452713500.db2.gz YITYZQKUSWGAHU-HZPDHXFCSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000647968788 452713505 /nfs/dbraw/zinc/71/35/05/452713505.db2.gz YITYZQKUSWGAHU-HZPDHXFCSA-N 2 2 331.464 1.610 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC000659836978 452724878 /nfs/dbraw/zinc/72/48/78/452724878.db2.gz BETLVEQYGQDWLG-UHFFFAOYSA-N 2 2 332.473 1.545 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658118474 452731405 /nfs/dbraw/zinc/73/14/05/452731405.db2.gz CSILHSMLCJNAQO-LBPRGKRZSA-N 2 2 334.420 1.265 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658118474 452731413 /nfs/dbraw/zinc/73/14/13/452731413.db2.gz CSILHSMLCJNAQO-LBPRGKRZSA-N 2 2 334.420 1.265 20 0 EDADLP CCN(C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@@H]1CC[N@H+](C)C1 ZINC000666396158 452842121 /nfs/dbraw/zinc/84/21/21/452842121.db2.gz OEKDAOZQWRBSFF-OAHLLOKOSA-N 2 2 347.463 1.785 20 0 EDADLP CCN(C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000666396158 452842128 /nfs/dbraw/zinc/84/21/28/452842128.db2.gz OEKDAOZQWRBSFF-OAHLLOKOSA-N 2 2 347.463 1.785 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000659960394 452858131 /nfs/dbraw/zinc/85/81/31/452858131.db2.gz JGSYESXSVKYGBL-INIZCTEOSA-N 2 2 339.505 1.901 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000659960394 452858138 /nfs/dbraw/zinc/85/81/38/452858138.db2.gz JGSYESXSVKYGBL-INIZCTEOSA-N 2 2 339.505 1.901 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000659960394 452858143 /nfs/dbraw/zinc/85/81/43/452858143.db2.gz JGSYESXSVKYGBL-INIZCTEOSA-N 2 2 339.505 1.901 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000659960394 452858152 /nfs/dbraw/zinc/85/81/52/452858152.db2.gz JGSYESXSVKYGBL-INIZCTEOSA-N 2 2 339.505 1.901 20 0 EDADLP COCC[NH+]1CCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000656107002 452865531 /nfs/dbraw/zinc/86/55/31/452865531.db2.gz QUDMXPLFLAIMQZ-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000648157887 452867006 /nfs/dbraw/zinc/86/70/06/452867006.db2.gz OWCMMDIUJQOTPX-MRXNPFEDSA-N 2 2 345.834 1.787 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654738395 452867335 /nfs/dbraw/zinc/86/73/35/452867335.db2.gz OKJJPRXKBNICDC-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654738395 452867341 /nfs/dbraw/zinc/86/73/41/452867341.db2.gz OKJJPRXKBNICDC-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP Cn1cc([C@@H]2CN(Cc3c[nH+]c4ccc(Cl)cn34)C[C@H]2[NH3+])cn1 ZINC000643973900 452888123 /nfs/dbraw/zinc/88/81/23/452888123.db2.gz GUDIVRMKCHBCER-LSDHHAIUSA-N 2 2 330.823 1.648 20 0 EDADLP O=c1[nH]c(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc2ccccc12 ZINC000662153041 452888860 /nfs/dbraw/zinc/88/88/60/452888860.db2.gz MOSPZJPOCLJZGX-OAHLLOKOSA-N 2 2 342.443 1.409 20 0 EDADLP O=c1[nH]c(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc2ccccc12 ZINC000662153041 452888865 /nfs/dbraw/zinc/88/88/65/452888865.db2.gz MOSPZJPOCLJZGX-OAHLLOKOSA-N 2 2 342.443 1.409 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154450 452892528 /nfs/dbraw/zinc/89/25/28/452892528.db2.gz FGDXRXQEQZHXRC-QFBILLFUSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154450 452892538 /nfs/dbraw/zinc/89/25/38/452892538.db2.gz FGDXRXQEQZHXRC-QFBILLFUSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]1SCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000645913449 452893753 /nfs/dbraw/zinc/89/37/53/452893753.db2.gz QEPYSMIEGJVXPJ-ZFWWWQNUSA-N 2 2 328.526 1.548 20 0 EDADLP C[C@@H]1SCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000645913449 452893761 /nfs/dbraw/zinc/89/37/61/452893761.db2.gz QEPYSMIEGJVXPJ-ZFWWWQNUSA-N 2 2 328.526 1.548 20 0 EDADLP CC[C@@H](O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000664233033 452908092 /nfs/dbraw/zinc/90/80/92/452908092.db2.gz KEHGVWMBEQJQOH-OAHLLOKOSA-N 2 2 326.485 1.007 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656198848 452955112 /nfs/dbraw/zinc/95/51/12/452955112.db2.gz GHONDXHIZFBROA-HUUCEWRRSA-N 2 2 335.452 1.470 20 0 EDADLP O=C(C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1)N1CCc2ccccc21 ZINC000662254636 452982471 /nfs/dbraw/zinc/98/24/71/452982471.db2.gz RAIZXYBCUIRLEE-QGZVFWFLSA-N 2 2 329.444 1.276 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261271 452991009 /nfs/dbraw/zinc/99/10/09/452991009.db2.gz WCGYWKYQFQFXHI-GOSISDBHSA-N 2 2 345.487 1.642 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nnn(CC(F)(F)F)n2)C1 ZINC000662283675 453006572 /nfs/dbraw/zinc/00/65/72/453006572.db2.gz JDYLJRQPERGPBJ-UTUOFQBUSA-N 2 2 348.373 1.096 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nnn(CC(F)(F)F)n2)C1 ZINC000662283675 453006583 /nfs/dbraw/zinc/00/65/83/453006583.db2.gz JDYLJRQPERGPBJ-UTUOFQBUSA-N 2 2 348.373 1.096 20 0 EDADLP O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000654890311 453010274 /nfs/dbraw/zinc/01/02/74/453010274.db2.gz REZPSSJMYXUJGK-RBUKOAKNSA-N 2 2 343.471 1.442 20 0 EDADLP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000654890311 453010280 /nfs/dbraw/zinc/01/02/80/453010280.db2.gz REZPSSJMYXUJGK-RBUKOAKNSA-N 2 2 343.471 1.442 20 0 EDADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000646022372 453018344 /nfs/dbraw/zinc/01/83/44/453018344.db2.gz WPMIBVQIYZYIMS-LJQANCHMSA-N 2 2 342.443 1.460 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662315729 453032024 /nfs/dbraw/zinc/03/20/24/453032024.db2.gz GWQXAVZCMCJNNE-IXDOHACOSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662315729 453032038 /nfs/dbraw/zinc/03/20/38/453032038.db2.gz GWQXAVZCMCJNNE-IXDOHACOSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319435 453036321 /nfs/dbraw/zinc/03/63/21/453036321.db2.gz NFUDTVLIWZZCIL-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319435 453036325 /nfs/dbraw/zinc/03/63/25/453036325.db2.gz NFUDTVLIWZZCIL-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NCCCc2ccccc2)CCO1 ZINC000662319924 453038272 /nfs/dbraw/zinc/03/82/72/453038272.db2.gz QPONLIGVGPNPSJ-LJQANCHMSA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NCCCc2ccccc2)CCO1 ZINC000662319924 453038278 /nfs/dbraw/zinc/03/82/78/453038278.db2.gz QPONLIGVGPNPSJ-LJQANCHMSA-N 2 2 347.503 1.778 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322190 453040084 /nfs/dbraw/zinc/04/00/84/453040084.db2.gz UVIBBAFFAQJHLB-DLBZAZTESA-N 2 2 327.513 1.922 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322190 453040091 /nfs/dbraw/zinc/04/00/91/453040091.db2.gz UVIBBAFFAQJHLB-DLBZAZTESA-N 2 2 327.513 1.922 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000652884021 453044517 /nfs/dbraw/zinc/04/45/17/453044517.db2.gz ZUYSXRZVTMGYPB-IEBWSBKVSA-N 2 2 344.503 1.008 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000652884021 453044526 /nfs/dbraw/zinc/04/45/26/453044526.db2.gz ZUYSXRZVTMGYPB-IEBWSBKVSA-N 2 2 344.503 1.008 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000662378908 453088525 /nfs/dbraw/zinc/08/85/25/453088525.db2.gz LHMYZBIKDAGQII-INIZCTEOSA-N 2 2 334.464 1.546 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000666734436 453104754 /nfs/dbraw/zinc/10/47/54/453104754.db2.gz QQGYFVGGWKTLOP-AWEZNQCLSA-N 2 2 347.463 1.323 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000666734445 453105232 /nfs/dbraw/zinc/10/52/32/453105232.db2.gz RFGCXWXXYLNDAB-CQSZACIVSA-N 2 2 345.447 1.029 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000662412309 453121287 /nfs/dbraw/zinc/12/12/87/453121287.db2.gz MGEDGOIXZMTITD-QGZVFWFLSA-N 2 2 335.448 1.012 20 0 EDADLP [NH3+]CCn1cc(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)nn1 ZINC000662428440 453134748 /nfs/dbraw/zinc/13/47/48/453134748.db2.gz BKTNZSHHLVUIHI-UHFFFAOYSA-N 2 2 325.376 1.633 20 0 EDADLP Cc1noc(C)c1CO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660283338 453173544 /nfs/dbraw/zinc/17/35/44/453173544.db2.gz HTFCXRRMLHOWDU-CVEARBPZSA-N 2 2 325.453 1.583 20 0 EDADLP Cc1noc(C)c1CO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660283338 453173547 /nfs/dbraw/zinc/17/35/47/453173547.db2.gz HTFCXRRMLHOWDU-CVEARBPZSA-N 2 2 325.453 1.583 20 0 EDADLP Cc1noc(C)c1CO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660283338 453173551 /nfs/dbraw/zinc/17/35/51/453173551.db2.gz HTFCXRRMLHOWDU-CVEARBPZSA-N 2 2 325.453 1.583 20 0 EDADLP Cc1noc(C)c1CO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660283338 453173553 /nfs/dbraw/zinc/17/35/53/453173553.db2.gz HTFCXRRMLHOWDU-CVEARBPZSA-N 2 2 325.453 1.583 20 0 EDADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000655070400 453193367 /nfs/dbraw/zinc/19/33/67/453193367.db2.gz AHMNJFJSGABUSX-GDBMZVCRSA-N 2 2 334.489 1.532 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660346722 453238526 /nfs/dbraw/zinc/23/85/26/453238526.db2.gz VLUOBHUZBFJVTL-NVXWUHKLSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660346722 453238532 /nfs/dbraw/zinc/23/85/32/453238532.db2.gz VLUOBHUZBFJVTL-NVXWUHKLSA-N 2 2 338.496 1.128 20 0 EDADLP COc1ccc(C(=O)C2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653063728 453240476 /nfs/dbraw/zinc/24/04/76/453240476.db2.gz UNHUGKIPQDVZCJ-QGZVFWFLSA-N 2 2 347.459 1.396 20 0 EDADLP CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653078557 453258191 /nfs/dbraw/zinc/25/81/91/453258191.db2.gz DITKENPRHSOWTF-WMLDXEAASA-N 2 2 348.491 1.293 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780406 453263510 /nfs/dbraw/zinc/26/35/10/453263510.db2.gz HTDWTIHWNWTRDG-JKSUJKDBSA-N 3 2 347.507 1.681 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780406 453263516 /nfs/dbraw/zinc/26/35/16/453263516.db2.gz HTDWTIHWNWTRDG-JKSUJKDBSA-N 3 2 347.507 1.681 20 0 EDADLP O=C(NCCC[NH+]1CCCC1)NCc1ccc[nH+]c1N1CCCC1 ZINC000656540612 453264926 /nfs/dbraw/zinc/26/49/26/453264926.db2.gz MZBLLJWHKAIIEZ-UHFFFAOYSA-N 2 2 331.464 1.967 20 0 EDADLP C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089691 453272076 /nfs/dbraw/zinc/27/20/76/453272076.db2.gz QOOBFGCLXGFQQY-WQVCFCJDSA-N 2 2 339.867 1.907 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000648787844 453273936 /nfs/dbraw/zinc/27/39/36/453273936.db2.gz HRSLPDAQYCTNJH-HZPDHXFCSA-N 2 2 336.480 1.966 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000648787844 453273943 /nfs/dbraw/zinc/27/39/43/453273943.db2.gz HRSLPDAQYCTNJH-HZPDHXFCSA-N 2 2 336.480 1.966 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000653092644 453275046 /nfs/dbraw/zinc/27/50/46/453275046.db2.gz HISUDVUHMGIDFD-BBWFWOEESA-N 2 2 335.448 1.586 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000648796685 453281943 /nfs/dbraw/zinc/28/19/43/453281943.db2.gz MTZQPXXLSNEWPR-JKSUJKDBSA-N 2 2 334.464 1.577 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662555975 453284293 /nfs/dbraw/zinc/28/42/93/453284293.db2.gz YZTDPXCREHAZOL-UHFFFAOYSA-N 2 2 340.193 1.438 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646292615 453292949 /nfs/dbraw/zinc/29/29/49/453292949.db2.gz PFKSJRHMRISYBS-ZBFHGGJFSA-N 2 2 343.830 1.706 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646292615 453292958 /nfs/dbraw/zinc/29/29/58/453292958.db2.gz PFKSJRHMRISYBS-ZBFHGGJFSA-N 2 2 343.830 1.706 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653116845 453305711 /nfs/dbraw/zinc/30/57/11/453305711.db2.gz WGESZMSAZMORDS-MRXNPFEDSA-N 2 2 331.460 1.729 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653120808 453310380 /nfs/dbraw/zinc/31/03/80/453310380.db2.gz BEHSQTUHOXWKDX-INIZCTEOSA-N 2 2 334.464 1.045 20 0 EDADLP C[C@H](CC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)[NH+](C)C ZINC000656681838 453363046 /nfs/dbraw/zinc/36/30/46/453363046.db2.gz MOYOVZFZZACQND-MFKMUULPSA-N 2 2 328.254 1.905 20 0 EDADLP O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472349 453332135 /nfs/dbraw/zinc/33/21/35/453332135.db2.gz DUZJPHDUOWTHGB-RTBURBONSA-N 2 2 336.451 1.916 20 0 EDADLP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472349 453332143 /nfs/dbraw/zinc/33/21/43/453332143.db2.gz DUZJPHDUOWTHGB-RTBURBONSA-N 2 2 336.451 1.916 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000653149104 453336484 /nfs/dbraw/zinc/33/64/84/453336484.db2.gz XDVVQEBTMBVKEI-INIZCTEOSA-N 3 2 340.899 1.509 20 0 EDADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646355854 453343997 /nfs/dbraw/zinc/34/39/97/453343997.db2.gz WIRNZYHYHHFJSH-UHFFFAOYSA-N 2 2 340.427 1.336 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000653154522 453345001 /nfs/dbraw/zinc/34/50/01/453345001.db2.gz UXCHJEIZSBJFSB-HRCADAONSA-N 3 2 338.883 1.480 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000653154522 453345005 /nfs/dbraw/zinc/34/50/05/453345005.db2.gz UXCHJEIZSBJFSB-HRCADAONSA-N 3 2 338.883 1.480 20 0 EDADLP CC(C)(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000662656785 453369460 /nfs/dbraw/zinc/36/94/60/453369460.db2.gz SUEIQVBYFIKPMF-IRXDYDNUSA-N 2 2 331.460 1.646 20 0 EDADLP [NH3+][C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000662659656 453373209 /nfs/dbraw/zinc/37/32/09/453373209.db2.gz UAMZNHKBCOSNKH-MRXNPFEDSA-N 2 2 332.354 1.708 20 0 EDADLP Cc1cn(-c2ccccc2)nc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000667081160 453393638 /nfs/dbraw/zinc/39/36/38/453393638.db2.gz YOYRDQKMEZKZQF-OAHLLOKOSA-N 2 2 328.420 1.287 20 0 EDADLP Cc1cn(-c2ccccc2)nc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000667081160 453393647 /nfs/dbraw/zinc/39/36/47/453393647.db2.gz YOYRDQKMEZKZQF-OAHLLOKOSA-N 2 2 328.420 1.287 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662685413 453406796 /nfs/dbraw/zinc/40/67/96/453406796.db2.gz SOSARLQDRKEJKS-AWEZNQCLSA-N 2 2 330.354 1.420 20 0 EDADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704267 453426848 /nfs/dbraw/zinc/42/68/48/453426848.db2.gz XWDIMQZBBUQKHR-AYHJJNSGSA-N 2 2 335.492 1.478 20 0 EDADLP CC(C)CNC(=O)CCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000660589316 453430474 /nfs/dbraw/zinc/43/04/74/453430474.db2.gz GJNIZODHPNCLJB-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)CNC(=O)CCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000660589316 453430482 /nfs/dbraw/zinc/43/04/82/453430482.db2.gz GJNIZODHPNCLJB-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP [NH3+][C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)cccc1F ZINC000662710958 453434907 /nfs/dbraw/zinc/43/49/07/453434907.db2.gz ZUPUKDQSRKITPS-LRDDRELGSA-N 2 2 339.386 1.334 20 0 EDADLP COc1ccc(C[C@@H]2CCCCN2C(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653251308 453435517 /nfs/dbraw/zinc/43/55/17/453435517.db2.gz VMDHKFKZQQCLAO-FUHWJXTLSA-N 2 2 333.476 1.898 20 0 EDADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000667147916 453439113 /nfs/dbraw/zinc/43/91/13/453439113.db2.gz MWKOHGSNYRICQN-UHFFFAOYSA-N 3 2 332.452 1.648 20 0 EDADLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000667147916 453439118 /nfs/dbraw/zinc/43/91/18/453439118.db2.gz MWKOHGSNYRICQN-UHFFFAOYSA-N 3 2 332.452 1.648 20 0 EDADLP Cc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000667147916 453439130 /nfs/dbraw/zinc/43/91/30/453439130.db2.gz MWKOHGSNYRICQN-UHFFFAOYSA-N 2 2 332.452 1.648 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H]([NH3+])c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000662720876 453445654 /nfs/dbraw/zinc/44/56/54/453445654.db2.gz MTZWXHBARFZYML-FIXISWKDSA-N 2 2 327.375 1.190 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000662720878 453445889 /nfs/dbraw/zinc/44/58/89/453445889.db2.gz MTZWXHBARFZYML-RWSFTLGLSA-N 2 2 327.375 1.190 20 0 EDADLP COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2=O)cc1 ZINC000660616571 453454797 /nfs/dbraw/zinc/45/47/97/453454797.db2.gz NLTUICPNESXGNW-AZUAARDMSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(CN2CC[C@H]([N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2=O)cc1 ZINC000660616571 453454801 /nfs/dbraw/zinc/45/48/01/453454801.db2.gz NLTUICPNESXGNW-AZUAARDMSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)C2=O)cc1 ZINC000660616571 453454802 /nfs/dbraw/zinc/45/48/02/453454802.db2.gz NLTUICPNESXGNW-AZUAARDMSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)C2=O)cc1 ZINC000660616571 453454805 /nfs/dbraw/zinc/45/48/05/453454805.db2.gz NLTUICPNESXGNW-AZUAARDMSA-N 2 2 343.471 1.824 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000655443022 453529760 /nfs/dbraw/zinc/52/97/60/453529760.db2.gz KMBMNYNZMLQPQA-UHFFFAOYSA-N 2 2 334.445 1.888 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000662885002 453587843 /nfs/dbraw/zinc/58/78/43/453587843.db2.gz XDPZNTPZUXVTTN-HUUCEWRRSA-N 2 2 327.375 1.144 20 0 EDADLP C[C@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1[nH+]ccn1C ZINC000659042059 453596317 /nfs/dbraw/zinc/59/63/17/453596317.db2.gz RVVOIEKJWVNZBB-SWLSCSKDSA-N 2 2 329.404 1.964 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CC12CCSCC2 ZINC000665162974 453597474 /nfs/dbraw/zinc/59/74/74/453597474.db2.gz CKYXACDNJWUXEH-HNNXBMFYSA-N 2 2 342.553 1.702 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC12CCSCC2 ZINC000665162974 453597481 /nfs/dbraw/zinc/59/74/81/453597481.db2.gz CKYXACDNJWUXEH-HNNXBMFYSA-N 2 2 342.553 1.702 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1c[nH+]ccc1N ZINC000665240316 453619941 /nfs/dbraw/zinc/61/99/41/453619941.db2.gz IBNLBZMRBRKUHD-RHSMWYFYSA-N 3 2 326.444 1.912 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1c[nH+]ccc1N ZINC000665240316 453619944 /nfs/dbraw/zinc/61/99/44/453619944.db2.gz IBNLBZMRBRKUHD-RHSMWYFYSA-N 3 2 326.444 1.912 20 0 EDADLP C[C@@H](NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1c[nH+]ccc1N ZINC000665283931 453635520 /nfs/dbraw/zinc/63/55/20/453635520.db2.gz XLZVISTZPQUQFQ-AEFFLSMTSA-N 2 2 339.487 1.961 20 0 EDADLP C[C@@H](NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1c[nH+]ccc1N ZINC000665283931 453635527 /nfs/dbraw/zinc/63/55/27/453635527.db2.gz XLZVISTZPQUQFQ-AEFFLSMTSA-N 2 2 339.487 1.961 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)c1c[nH+]ccc1N ZINC000665283931 453635532 /nfs/dbraw/zinc/63/55/32/453635532.db2.gz XLZVISTZPQUQFQ-AEFFLSMTSA-N 2 2 339.487 1.961 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 ZINC000663004464 453644271 /nfs/dbraw/zinc/64/42/71/453644271.db2.gz MNIXMBWCULZQNL-CABCVRRESA-N 2 2 327.432 1.255 20 0 EDADLP Cc1nc(CS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cs1 ZINC000657070861 453661099 /nfs/dbraw/zinc/66/10/99/453661099.db2.gz AASVWERQILLCTA-LBPRGKRZSA-N 2 2 348.538 1.143 20 0 EDADLP Cc1nc(CS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000657070861 453661102 /nfs/dbraw/zinc/66/11/02/453661102.db2.gz AASVWERQILLCTA-LBPRGKRZSA-N 2 2 348.538 1.143 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659286946 453701939 /nfs/dbraw/zinc/70/19/39/453701939.db2.gz HUIBLTOYWMORHY-INIZCTEOSA-N 2 2 335.448 1.518 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000665463079 453703250 /nfs/dbraw/zinc/70/32/50/453703250.db2.gz ZLUBYEBVIPMFDL-SFHVURJKSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000665463079 453703255 /nfs/dbraw/zinc/70/32/55/453703255.db2.gz ZLUBYEBVIPMFDL-SFHVURJKSA-N 2 2 331.460 1.822 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000665555638 453747328 /nfs/dbraw/zinc/74/73/28/453747328.db2.gz IDCDFMJCBBSIDH-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000665555638 453747329 /nfs/dbraw/zinc/74/73/29/453747329.db2.gz IDCDFMJCBBSIDH-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000665618138 453768942 /nfs/dbraw/zinc/76/89/42/453768942.db2.gz IEQYTYJRALQHKJ-UHFFFAOYSA-N 2 2 331.464 1.919 20 0 EDADLP CC[N@H+]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000665618138 453768945 /nfs/dbraw/zinc/76/89/45/453768945.db2.gz IEQYTYJRALQHKJ-UHFFFAOYSA-N 2 2 331.464 1.919 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccnn1CC1CC1 ZINC000657341549 453769345 /nfs/dbraw/zinc/76/93/45/453769345.db2.gz ZFJXRQMIPKESOE-QGZVFWFLSA-N 2 2 333.480 1.325 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccnn1CC1CC1 ZINC000657341549 453769347 /nfs/dbraw/zinc/76/93/47/453769347.db2.gz ZFJXRQMIPKESOE-QGZVFWFLSA-N 2 2 333.480 1.325 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657356777 453773871 /nfs/dbraw/zinc/77/38/71/453773871.db2.gz RLFGKZLTYRNFKK-UHFFFAOYSA-N 2 2 329.366 1.746 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccnn2CC2CC2)C1=O ZINC000657431640 453785969 /nfs/dbraw/zinc/78/59/69/453785969.db2.gz HPWKYNNVQUWMIV-MRXNPFEDSA-N 2 2 342.447 1.307 20 0 EDADLP Cc1c(N2CCC([NH+](C)C)CC2)nc[nH+]c1N1CCC([NH+](C)C)CC1 ZINC000663386113 453785967 /nfs/dbraw/zinc/78/59/67/453785967.db2.gz CDJFRLGPAZCSOG-UHFFFAOYSA-N 3 2 346.523 1.846 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)CO1 ZINC000663410211 453791719 /nfs/dbraw/zinc/79/17/19/453791719.db2.gz ZOUMXSONGITZHK-UONOGXRCSA-N 2 2 340.512 1.704 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)CO1 ZINC000663410211 453791720 /nfs/dbraw/zinc/79/17/20/453791720.db2.gz ZOUMXSONGITZHK-UONOGXRCSA-N 2 2 340.512 1.704 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)[C@H](C)CO1 ZINC000663425299 453794638 /nfs/dbraw/zinc/79/46/38/453794638.db2.gz OTJARCDLDQSBGD-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)[C@H](C)CO1 ZINC000663425299 453794641 /nfs/dbraw/zinc/79/46/41/453794641.db2.gz OTJARCDLDQSBGD-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661351643 453797902 /nfs/dbraw/zinc/79/79/02/453797902.db2.gz OLZFBHXNQFHGLD-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661351643 453797903 /nfs/dbraw/zinc/79/79/03/453797903.db2.gz OLZFBHXNQFHGLD-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)CC3([NH3+])CCC3)CC2)c1 ZINC000163511441 486681002 /nfs/dbraw/zinc/68/10/02/486681002.db2.gz YPEWGRJAXWRWGS-UHFFFAOYSA-N 2 2 347.459 1.620 20 0 EDADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000680009158 486694144 /nfs/dbraw/zinc/69/41/44/486694144.db2.gz AUNONXDPIIDIGT-HNNXBMFYSA-N 2 2 342.443 1.765 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000667423361 486774202 /nfs/dbraw/zinc/77/42/02/486774202.db2.gz MXEULRIACRHHOG-ARFHVFGLSA-N 2 2 332.448 1.237 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000667423361 486774206 /nfs/dbraw/zinc/77/42/06/486774206.db2.gz MXEULRIACRHHOG-ARFHVFGLSA-N 2 2 332.448 1.237 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c[nH+]2)CCO1 ZINC000416989561 486790494 /nfs/dbraw/zinc/79/04/94/486790494.db2.gz ORYLGHXNWBEFMH-VNQPRFMTSA-N 2 2 347.463 1.376 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000680528178 486801619 /nfs/dbraw/zinc/80/16/19/486801619.db2.gz DKUUCDMJWVLXDD-HZPDHXFCSA-N 2 2 331.464 1.502 20 0 EDADLP Cc1ncc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC000667601872 486869320 /nfs/dbraw/zinc/86/93/20/486869320.db2.gz LURQPHIQAXKJRU-UHFFFAOYSA-N 2 2 333.480 1.105 20 0 EDADLP Cc1[nH+]cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC000667601872 486869327 /nfs/dbraw/zinc/86/93/27/486869327.db2.gz LURQPHIQAXKJRU-UHFFFAOYSA-N 3 2 333.480 1.105 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684023098 486915865 /nfs/dbraw/zinc/91/58/65/486915865.db2.gz SNPHINMSPKCTKC-UHFFFAOYSA-N 2 2 326.444 1.908 20 0 EDADLP Cn1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C(F)F)n1 ZINC000681164853 486956648 /nfs/dbraw/zinc/95/66/48/486956648.db2.gz FZOROUDXUFCIFS-CQSZACIVSA-N 2 2 327.423 1.570 20 0 EDADLP Cn1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C(F)F)n1 ZINC000681164853 486956651 /nfs/dbraw/zinc/95/66/51/486956651.db2.gz FZOROUDXUFCIFS-CQSZACIVSA-N 2 2 327.423 1.570 20 0 EDADLP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000667792315 486966317 /nfs/dbraw/zinc/96/63/17/486966317.db2.gz VJGDYJJSUVDHMQ-UHFFFAOYSA-N 2 2 338.415 1.476 20 0 EDADLP C[N@H+](C[C@H]1CNc2ccnn2C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000684199060 486982763 /nfs/dbraw/zinc/98/27/63/486982763.db2.gz NDAVPUAFVYLXMI-MRXNPFEDSA-N 2 2 343.479 1.218 20 0 EDADLP C[N@@H+](C[C@H]1CNc2ccnn2C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000684199060 486982767 /nfs/dbraw/zinc/98/27/67/486982767.db2.gz NDAVPUAFVYLXMI-MRXNPFEDSA-N 2 2 343.479 1.218 20 0 EDADLP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[N@H+](C)CCO1 ZINC000667838682 486988421 /nfs/dbraw/zinc/98/84/21/486988421.db2.gz DEDBCTAPCFQSAE-BLLLJJGKSA-N 2 2 334.420 1.009 20 0 EDADLP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[N@@H+](C)CCO1 ZINC000667838682 486988426 /nfs/dbraw/zinc/98/84/26/486988426.db2.gz DEDBCTAPCFQSAE-BLLLJJGKSA-N 2 2 334.420 1.009 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@](C)(O)Cc3ccccc3)C2)CC1 ZINC000673669888 487085754 /nfs/dbraw/zinc/08/57/54/487085754.db2.gz WKQMZLXYEJQHPL-YLJYHZDGSA-N 2 2 345.487 1.265 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@](C)(O)Cc3ccccc3)C2)CC1 ZINC000673669888 487085757 /nfs/dbraw/zinc/08/57/57/487085757.db2.gz WKQMZLXYEJQHPL-YLJYHZDGSA-N 2 2 345.487 1.265 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000684552743 487095649 /nfs/dbraw/zinc/09/56/49/487095649.db2.gz DZYHASQTRBEXIA-INIZCTEOSA-N 2 2 328.464 1.510 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4n[nH]cc4c3)C2)CC1 ZINC000673740499 487102387 /nfs/dbraw/zinc/10/23/87/487102387.db2.gz GWPKPFHVLWAOLQ-OAHLLOKOSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4n[nH]cc4c3)C2)CC1 ZINC000673740499 487102394 /nfs/dbraw/zinc/10/23/94/487102394.db2.gz GWPKPFHVLWAOLQ-OAHLLOKOSA-N 2 2 327.432 1.461 20 0 EDADLP Cc1cc([C@@H]2CCCN2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)on1 ZINC000677579394 487124321 /nfs/dbraw/zinc/12/43/21/487124321.db2.gz MKSIJFVGUPERDF-INIZCTEOSA-N 2 2 349.479 1.856 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000677648373 487140936 /nfs/dbraw/zinc/14/09/36/487140936.db2.gz CRCNNKORORRWTR-INIZCTEOSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)[N@H+]1CCc2ccccc2C1 ZINC000677648373 487140940 /nfs/dbraw/zinc/14/09/40/487140940.db2.gz CRCNNKORORRWTR-INIZCTEOSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681754653 487158665 /nfs/dbraw/zinc/15/86/65/487158665.db2.gz ZXDPYRLWCPWBMS-INIZCTEOSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681754653 487158671 /nfs/dbraw/zinc/15/86/71/487158671.db2.gz ZXDPYRLWCPWBMS-INIZCTEOSA-N 2 2 331.460 1.824 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CCSC1 ZINC000673965913 487171376 /nfs/dbraw/zinc/17/13/76/487171376.db2.gz MBAHLQNAORLWPD-FUHWJXTLSA-N 2 2 348.516 1.600 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CCSC1 ZINC000673965913 487171380 /nfs/dbraw/zinc/17/13/80/487171380.db2.gz MBAHLQNAORLWPD-FUHWJXTLSA-N 2 2 348.516 1.600 20 0 EDADLP Cc1ccn2ncc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2c1 ZINC000678039689 487232351 /nfs/dbraw/zinc/23/23/51/487232351.db2.gz GMRRWTQUIZEVEN-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1ccn2ncc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2c1 ZINC000678039689 487232355 /nfs/dbraw/zinc/23/23/55/487232355.db2.gz GMRRWTQUIZEVEN-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP COC1CC[NH+](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000674325467 487237057 /nfs/dbraw/zinc/23/70/57/487237057.db2.gz RKESUAWSNCYFCJ-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP CCc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000674361843 487243505 /nfs/dbraw/zinc/24/35/05/487243505.db2.gz WCTNBLVYJSOKNK-OAHLLOKOSA-N 2 2 331.460 1.853 20 0 EDADLP CCc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000674361843 487243507 /nfs/dbraw/zinc/24/35/07/487243507.db2.gz WCTNBLVYJSOKNK-OAHLLOKOSA-N 2 2 331.460 1.853 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000678080360 487244246 /nfs/dbraw/zinc/24/42/46/487244246.db2.gz ASFCPSRQBLAUCM-DJIMGWMZSA-N 2 2 332.448 1.403 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000678080360 487244248 /nfs/dbraw/zinc/24/42/48/487244248.db2.gz ASFCPSRQBLAUCM-DJIMGWMZSA-N 2 2 332.448 1.403 20 0 EDADLP C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000681993475 487273712 /nfs/dbraw/zinc/27/37/12/487273712.db2.gz LBZOTDCWVFBMEI-HLLBOEOZSA-N 2 2 349.519 1.913 20 0 EDADLP C[C@@H]1C(=O)CC[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000681993475 487273714 /nfs/dbraw/zinc/27/37/14/487273714.db2.gz LBZOTDCWVFBMEI-HLLBOEOZSA-N 2 2 349.519 1.913 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000685564690 487297270 /nfs/dbraw/zinc/29/72/70/487297270.db2.gz BVSDPOUHLAIOSF-HZPDHXFCSA-N 2 2 346.393 1.958 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000685564690 487297272 /nfs/dbraw/zinc/29/72/72/487297272.db2.gz BVSDPOUHLAIOSF-HZPDHXFCSA-N 2 2 346.393 1.958 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@H+](CCO)C(C)(C)C3)ccc2[nH+]1 ZINC000682047413 487294111 /nfs/dbraw/zinc/29/41/11/487294111.db2.gz AXAVRWGQKRKMGY-UHFFFAOYSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)ccc2[nH+]1 ZINC000682047413 487294112 /nfs/dbraw/zinc/29/41/12/487294112.db2.gz AXAVRWGQKRKMGY-UHFFFAOYSA-N 2 2 331.420 1.563 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000678584652 487339112 /nfs/dbraw/zinc/33/91/12/487339112.db2.gz CTCKCVXSEGAUPI-MAUKXSAKSA-N 2 2 330.476 1.940 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000678584652 487339117 /nfs/dbraw/zinc/33/91/17/487339117.db2.gz CTCKCVXSEGAUPI-MAUKXSAKSA-N 2 2 330.476 1.940 20 0 EDADLP COCc1nc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(OC)n1 ZINC000682392291 487356446 /nfs/dbraw/zinc/35/64/46/487356446.db2.gz HINULAZRZAPGOQ-ZDUSSCGKSA-N 2 2 335.452 1.212 20 0 EDADLP COCc1nc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(OC)n1 ZINC000682392291 487356450 /nfs/dbraw/zinc/35/64/50/487356450.db2.gz HINULAZRZAPGOQ-ZDUSSCGKSA-N 2 2 335.452 1.212 20 0 EDADLP C[C@@H](C[C@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000675430214 487407048 /nfs/dbraw/zinc/40/70/48/487407048.db2.gz GUJKIPYTCUKXOQ-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](C[C@H]1CCOC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000675430214 487407049 /nfs/dbraw/zinc/40/70/49/487407049.db2.gz GUJKIPYTCUKXOQ-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](COc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675462669 487409620 /nfs/dbraw/zinc/40/96/20/487409620.db2.gz ZSHZHRNGEMRWSE-SJORKVTESA-N 2 2 345.487 1.986 20 0 EDADLP C[C@H](COc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675462669 487409623 /nfs/dbraw/zinc/40/96/23/487409623.db2.gz ZSHZHRNGEMRWSE-SJORKVTESA-N 2 2 345.487 1.986 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000676037982 487467965 /nfs/dbraw/zinc/46/79/65/487467965.db2.gz MBZGLQOVISCFLY-ZIAGYGMSSA-N 2 2 340.431 1.178 20 0 EDADLP C[N@H+](CC[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000569568493 485872562 /nfs/dbraw/zinc/87/25/62/485872562.db2.gz NKUAJKGDTUJCKG-UHFFFAOYSA-N 2 2 344.459 1.826 20 0 EDADLP C[N@@H+](CC[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000569568493 485872570 /nfs/dbraw/zinc/87/25/70/485872570.db2.gz NKUAJKGDTUJCKG-UHFFFAOYSA-N 2 2 344.459 1.826 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669323328 485968830 /nfs/dbraw/zinc/96/88/30/485968830.db2.gz RHNJYKASPAHSKW-IKGGRYGDSA-N 2 2 338.496 1.128 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115548807 485970169 /nfs/dbraw/zinc/97/01/69/485970169.db2.gz HYQTUJCOBIWFTR-GOSISDBHSA-N 2 2 336.476 1.513 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115548807 485970174 /nfs/dbraw/zinc/97/01/74/485970174.db2.gz HYQTUJCOBIWFTR-GOSISDBHSA-N 2 2 336.476 1.513 20 0 EDADLP CC1(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000669366266 486014864 /nfs/dbraw/zinc/01/48/64/486014864.db2.gz DRIWKPOEMZLKLG-QGZVFWFLSA-N 2 2 346.475 1.501 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NCC1=CC[NH2+]CC1 ZINC000669386409 486021492 /nfs/dbraw/zinc/02/14/92/486021492.db2.gz FDSSSFVBRPTMRH-UHFFFAOYSA-N 2 2 325.416 1.650 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2nc[nH]c2cc1F ZINC000668686923 486046437 /nfs/dbraw/zinc/04/64/37/486046437.db2.gz ARHKPPJOTLINBR-UHFFFAOYSA-N 2 2 347.438 1.800 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2nc[nH]c2cc1F ZINC000668686923 486046443 /nfs/dbraw/zinc/04/64/43/486046443.db2.gz ARHKPPJOTLINBR-UHFFFAOYSA-N 2 2 347.438 1.800 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2[nH]cnc2cc1F ZINC000668686923 486046448 /nfs/dbraw/zinc/04/64/48/486046448.db2.gz ARHKPPJOTLINBR-UHFFFAOYSA-N 2 2 347.438 1.800 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2[nH]cnc2cc1F ZINC000668686923 486046453 /nfs/dbraw/zinc/04/64/53/486046453.db2.gz ARHKPPJOTLINBR-UHFFFAOYSA-N 2 2 347.438 1.800 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000516174040 486062657 /nfs/dbraw/zinc/06/26/57/486062657.db2.gz CXWQHHITKRYRRX-IRXDYDNUSA-N 2 2 345.491 1.807 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000516174040 486062665 /nfs/dbraw/zinc/06/26/65/486062665.db2.gz CXWQHHITKRYRRX-IRXDYDNUSA-N 2 2 345.491 1.807 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C1 ZINC000668741736 486114389 /nfs/dbraw/zinc/11/43/89/486114389.db2.gz ZOBBHXHHZDHDAE-KRWDZBQOSA-N 2 2 327.432 1.503 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)C1 ZINC000668741736 486114399 /nfs/dbraw/zinc/11/43/99/486114399.db2.gz ZOBBHXHHZDHDAE-KRWDZBQOSA-N 2 2 327.432 1.503 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)[C@@H](C[NH3+])C1 ZINC000669422604 486142969 /nfs/dbraw/zinc/14/29/69/486142969.db2.gz IVCSEURFAVOHTQ-AWEZNQCLSA-N 2 2 349.866 1.648 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)[C@@H](C[NH3+])C1 ZINC000669422604 486142976 /nfs/dbraw/zinc/14/29/76/486142976.db2.gz IVCSEURFAVOHTQ-AWEZNQCLSA-N 2 2 349.866 1.648 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000668846518 486255709 /nfs/dbraw/zinc/25/57/09/486255709.db2.gz RLURGIGRDMJNRY-ROUUACIJSA-N 2 2 346.475 1.501 20 0 EDADLP CC1([NH3+])CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000668846537 486255782 /nfs/dbraw/zinc/25/57/82/486255782.db2.gz UFZASQNEBXUAHT-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[NH2+]CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000668873868 486285769 /nfs/dbraw/zinc/28/57/69/486285769.db2.gz MRYXBRHAUWKFMW-HNNXBMFYSA-N 2 2 331.420 1.045 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000668889014 486307027 /nfs/dbraw/zinc/30/70/27/486307027.db2.gz BQKLQVZUCVWFJJ-SWLSCSKDSA-N 2 2 331.395 1.700 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)[N@H+](C)C1 ZINC000671448461 486520090 /nfs/dbraw/zinc/52/00/90/486520090.db2.gz HSAMUTYXELBRII-IRXDYDNUSA-N 2 2 346.475 1.797 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)[N@@H+](C)C1 ZINC000671448461 486520093 /nfs/dbraw/zinc/52/00/93/486520093.db2.gz HSAMUTYXELBRII-IRXDYDNUSA-N 2 2 346.475 1.797 20 0 EDADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000672153286 486557556 /nfs/dbraw/zinc/55/75/56/486557556.db2.gz VJDMKIYTSGYNSF-WBVHZDCISA-N 2 2 325.416 1.374 20 0 EDADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000672153286 486557558 /nfs/dbraw/zinc/55/75/58/486557558.db2.gz VJDMKIYTSGYNSF-WBVHZDCISA-N 2 2 325.416 1.374 20 0 EDADLP O=C1NCC[C@@]12CCC[N@@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000516580256 486631222 /nfs/dbraw/zinc/63/12/22/486631222.db2.gz FGQFEZKQDIREIV-ICSRJNTNSA-N 2 2 343.471 1.632 20 0 EDADLP O=C1NCC[C@@]12CCC[N@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000516580256 486631224 /nfs/dbraw/zinc/63/12/24/486631224.db2.gz FGQFEZKQDIREIV-ICSRJNTNSA-N 2 2 343.471 1.632 20 0 EDADLP O=C1NCC[C@@]12CCC[NH+]2C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000516580256 486631226 /nfs/dbraw/zinc/63/12/26/486631226.db2.gz FGQFEZKQDIREIV-ICSRJNTNSA-N 2 2 343.471 1.632 20 0 EDADLP O=C1NCC[C@@]12CCC[NH+]2C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000516580256 486631228 /nfs/dbraw/zinc/63/12/28/486631228.db2.gz FGQFEZKQDIREIV-ICSRJNTNSA-N 2 2 343.471 1.632 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672098556 491196480 /nfs/dbraw/zinc/19/64/80/491196480.db2.gz JZTBGWUFPNJRPI-RHSMWYFYSA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000672098556 491196483 /nfs/dbraw/zinc/19/64/83/491196483.db2.gz JZTBGWUFPNJRPI-RHSMWYFYSA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000672098556 491196484 /nfs/dbraw/zinc/19/64/84/491196484.db2.gz JZTBGWUFPNJRPI-RHSMWYFYSA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000672098556 491196487 /nfs/dbraw/zinc/19/64/87/491196487.db2.gz JZTBGWUFPNJRPI-RHSMWYFYSA-N 2 2 346.475 1.136 20 0 EDADLP Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135645038 491230135 /nfs/dbraw/zinc/23/01/35/491230135.db2.gz ISOCCILINQBZJC-KRWDZBQOSA-N 2 2 345.491 1.472 20 0 EDADLP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135645038 491230136 /nfs/dbraw/zinc/23/01/36/491230136.db2.gz ISOCCILINQBZJC-KRWDZBQOSA-N 2 2 345.491 1.472 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193626805 491005861 /nfs/dbraw/zinc/00/58/61/491005861.db2.gz CYVRPGFQPNNWOI-UPJWGTAASA-N 2 2 334.395 1.356 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193626805 491005863 /nfs/dbraw/zinc/00/58/63/491005863.db2.gz CYVRPGFQPNNWOI-UPJWGTAASA-N 2 2 334.395 1.356 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193626805 491005865 /nfs/dbraw/zinc/00/58/65/491005865.db2.gz CYVRPGFQPNNWOI-UPJWGTAASA-N 2 2 334.395 1.356 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193626805 491005868 /nfs/dbraw/zinc/00/58/68/491005868.db2.gz CYVRPGFQPNNWOI-UPJWGTAASA-N 2 2 334.395 1.356 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)n1cc[nH+]c1 ZINC000636109893 500611732 /nfs/dbraw/zinc/61/17/32/500611732.db2.gz JBUXEJQOYWKLQJ-MRXNPFEDSA-N 2 2 334.464 1.794 20 0 EDADLP COc1cccc2c(N(C)C[C@@H](O)C[NH+]3CCOCC3)cc(C)[nH+]c12 ZINC000129133230 533839515 /nfs/dbraw/zinc/83/95/15/533839515.db2.gz HZJZHWWMQMPBAC-OAHLLOKOSA-N 2 2 345.443 1.681 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370771839 520977528 /nfs/dbraw/zinc/97/75/28/520977528.db2.gz ILRXNINUMUXAJV-GOSISDBHSA-N 2 2 334.439 1.848 20 0 EDADLP O=C([C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000175151311 534588855 /nfs/dbraw/zinc/58/88/55/534588855.db2.gz WJLZVEPUIIWZKI-JKSUJKDBSA-N 2 2 332.448 1.331 20 0 EDADLP COC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000247240314 536522283 /nfs/dbraw/zinc/52/22/83/536522283.db2.gz DLTUBKMQFZDZJB-MSOLQXFVSA-N 2 2 332.492 1.951 20 0 EDADLP COC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000247240314 536522288 /nfs/dbraw/zinc/52/22/88/536522288.db2.gz DLTUBKMQFZDZJB-MSOLQXFVSA-N 2 2 332.492 1.951 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000263229798 535053775 /nfs/dbraw/zinc/05/37/75/535053775.db2.gz HSNOMXXNLHDNKU-KRWDZBQOSA-N 2 2 342.399 1.912 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000353284688 535490653 /nfs/dbraw/zinc/49/06/53/535490653.db2.gz CZIDMRQTUYLPPI-UHFFFAOYSA-N 2 2 333.476 1.990 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000236952948 535652761 /nfs/dbraw/zinc/65/27/61/535652761.db2.gz VSGDNNDBGNXHQI-RDTXWAMCSA-N 2 2 349.475 1.721 20 0 EDADLP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346818426 535691656 /nfs/dbraw/zinc/69/16/56/535691656.db2.gz GEYPTDIEJFPJDZ-NVXWUHKLSA-N 2 2 336.432 1.567 20 0 EDADLP CCOC(=O)COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000346818426 535691658 /nfs/dbraw/zinc/69/16/58/535691658.db2.gz GEYPTDIEJFPJDZ-NVXWUHKLSA-N 2 2 336.432 1.567 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262317545 535702512 /nfs/dbraw/zinc/70/25/12/535702512.db2.gz QYRCGNOQWAHAOM-QAPCUYQASA-N 2 2 346.475 1.523 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000264256404 535839476 /nfs/dbraw/zinc/83/94/76/535839476.db2.gz ZRLBGCINQIRBOW-UHFFFAOYSA-N 2 2 345.447 1.750 20 0 EDADLP CC[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1[nH]cc[nH+]1 ZINC000347973137 535854199 /nfs/dbraw/zinc/85/41/99/535854199.db2.gz UATKYKBLVVYWRU-JKSUJKDBSA-N 2 2 328.416 1.878 20 0 EDADLP CC[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1[nH]cc[nH+]1 ZINC000347973137 535854203 /nfs/dbraw/zinc/85/42/03/535854203.db2.gz UATKYKBLVVYWRU-JKSUJKDBSA-N 2 2 328.416 1.878 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc4[nH]ccc4c3)CC2)CC1 ZINC000333334954 536339491 /nfs/dbraw/zinc/33/94/91/536339491.db2.gz RPXXDLRZAWDXJB-UHFFFAOYSA-N 2 2 341.459 1.803 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270958535 536454339 /nfs/dbraw/zinc/45/43/39/536454339.db2.gz YZDYMVMFKRVKPW-CVEARBPZSA-N 2 2 338.402 1.667 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270958535 536454343 /nfs/dbraw/zinc/45/43/43/536454343.db2.gz YZDYMVMFKRVKPW-CVEARBPZSA-N 2 2 338.402 1.667 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000271309298 536546924 /nfs/dbraw/zinc/54/69/24/536546924.db2.gz LANARTURVAKFPG-UHFFFAOYSA-N 2 2 343.431 1.498 20 0 EDADLP CCS(=O)(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000743264740 579474405 /nfs/dbraw/zinc/47/44/05/579474405.db2.gz SMDKXAAACLCZNY-UHFFFAOYSA-N 2 2 325.409 1.844 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)[nH+]c12 ZINC000725896575 578301485 /nfs/dbraw/zinc/30/14/85/578301485.db2.gz MDTDSRUXPXTNRS-HOTGVXAUSA-N 2 2 328.416 1.165 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]c12 ZINC000725896575 578301486 /nfs/dbraw/zinc/30/14/86/578301486.db2.gz MDTDSRUXPXTNRS-HOTGVXAUSA-N 2 2 328.416 1.165 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000726258399 578339742 /nfs/dbraw/zinc/33/97/42/578339742.db2.gz JJAFPNDZWIZLME-HNNXBMFYSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000726258399 578339743 /nfs/dbraw/zinc/33/97/43/578339743.db2.gz JJAFPNDZWIZLME-HNNXBMFYSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000726260749 578340550 /nfs/dbraw/zinc/34/05/50/578340550.db2.gz YGMPWZPNTQDAHT-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000726260749 578340551 /nfs/dbraw/zinc/34/05/51/578340551.db2.gz YGMPWZPNTQDAHT-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000788019616 578548564 /nfs/dbraw/zinc/54/85/64/578548564.db2.gz AVCSLVFEIOPNGX-UHFFFAOYSA-N 2 2 335.452 1.409 20 0 EDADLP Cc1cc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)nc(N)[nH+]1 ZINC000729920455 578599605 /nfs/dbraw/zinc/59/96/05/578599605.db2.gz XPCFNNKIZDGITO-UHFFFAOYSA-N 2 2 329.452 1.641 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000735559228 578898410 /nfs/dbraw/zinc/89/84/10/578898410.db2.gz KAXZMTGLSJJQJG-STQMWFEESA-N 2 2 343.435 1.077 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000735559228 578898411 /nfs/dbraw/zinc/89/84/11/578898411.db2.gz KAXZMTGLSJJQJG-STQMWFEESA-N 2 2 343.435 1.077 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000737639365 579124318 /nfs/dbraw/zinc/12/43/18/579124318.db2.gz POPQYXVLGOOLRG-ZDUSSCGKSA-N 2 2 346.410 1.160 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000737639365 579124320 /nfs/dbraw/zinc/12/43/20/579124320.db2.gz POPQYXVLGOOLRG-ZDUSSCGKSA-N 2 2 346.410 1.160 20 0 EDADLP CC[C@H]1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CC1 ZINC000761297809 580054197 /nfs/dbraw/zinc/05/41/97/580054197.db2.gz BZKZECJSIUTJQV-CVEARBPZSA-N 2 2 334.464 1.360 20 0 EDADLP CC[C@H]1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CC1 ZINC000761297809 580054198 /nfs/dbraw/zinc/05/41/98/580054198.db2.gz BZKZECJSIUTJQV-CVEARBPZSA-N 2 2 334.464 1.360 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)CN(C4CCCC4)C3=O)C2)CC1 ZINC000761299886 580054300 /nfs/dbraw/zinc/05/43/00/580054300.db2.gz FOOHNFRNKHPXPY-INIZCTEOSA-N 2 2 334.464 1.362 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)CN(C4CCCC4)C3=O)C2)CC1 ZINC000761299886 580054301 /nfs/dbraw/zinc/05/43/01/580054301.db2.gz FOOHNFRNKHPXPY-INIZCTEOSA-N 2 2 334.464 1.362 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)CCO1 ZINC000739010608 579193913 /nfs/dbraw/zinc/19/39/13/579193913.db2.gz QWRNXJXKBYYMLQ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[NH+](C3CCCC3)CC2)CCO1 ZINC000739010608 579193914 /nfs/dbraw/zinc/19/39/14/579193914.db2.gz QWRNXJXKBYYMLQ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCO1 ZINC000739010608 579193915 /nfs/dbraw/zinc/19/39/15/579193915.db2.gz QWRNXJXKBYYMLQ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCO1 ZINC000739010608 579193916 /nfs/dbraw/zinc/19/39/16/579193916.db2.gz QWRNXJXKBYYMLQ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)OC/C=C/COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745082735 579537075 /nfs/dbraw/zinc/53/70/75/579537075.db2.gz QVRUIHHFPVPWMF-COAGQGPPSA-N 2 2 338.448 1.598 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)OC/C=C/COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745082735 579537076 /nfs/dbraw/zinc/53/70/76/579537076.db2.gz QVRUIHHFPVPWMF-COAGQGPPSA-N 2 2 338.448 1.598 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OC/C=C/COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745082735 579537077 /nfs/dbraw/zinc/53/70/77/579537077.db2.gz QVRUIHHFPVPWMF-COAGQGPPSA-N 2 2 338.448 1.598 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OC/C=C/COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745082735 579537078 /nfs/dbraw/zinc/53/70/78/579537078.db2.gz QVRUIHHFPVPWMF-COAGQGPPSA-N 2 2 338.448 1.598 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000745869900 579566311 /nfs/dbraw/zinc/56/63/11/579566311.db2.gz NPYNSIQDYNYWAK-UHFFFAOYSA-N 2 2 345.491 1.678 20 0 EDADLP CCCCC[C@@H](O)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746252720 579582028 /nfs/dbraw/zinc/58/20/28/579582028.db2.gz GTSQUJPAVWAVKA-QZTJIDSGSA-N 2 2 339.524 1.945 20 0 EDADLP CCCCC[C@@H](O)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746252720 579582031 /nfs/dbraw/zinc/58/20/31/579582031.db2.gz GTSQUJPAVWAVKA-QZTJIDSGSA-N 2 2 339.524 1.945 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CN1CC2(CCCC2)CC1=O ZINC000746649729 579604922 /nfs/dbraw/zinc/60/49/22/579604922.db2.gz OXIANLWZOBGENA-ZACQAIPSSA-N 2 2 335.492 1.920 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CN1CC2(CCCC2)CC1=O ZINC000746649729 579604924 /nfs/dbraw/zinc/60/49/24/579604924.db2.gz OXIANLWZOBGENA-ZACQAIPSSA-N 2 2 335.492 1.920 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)N(C)CC[NH+](C)C)c1[nH+]ccn1C ZINC000747580091 579649772 /nfs/dbraw/zinc/64/97/72/579649772.db2.gz GPMVEWDADNYVHO-MRXNPFEDSA-N 2 2 345.447 1.721 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(F)n3)C2)CC1 ZINC000747973232 579665321 /nfs/dbraw/zinc/66/53/21/579665321.db2.gz KXWSLMKZQIZZOS-CQSZACIVSA-N 2 2 335.427 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccc(F)n3)C2)CC1 ZINC000747973232 579665322 /nfs/dbraw/zinc/66/53/22/579665322.db2.gz KXWSLMKZQIZZOS-CQSZACIVSA-N 2 2 335.427 1.188 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=S)NCC[NH+]1CCOCC1 ZINC000749013221 579710143 /nfs/dbraw/zinc/71/01/43/579710143.db2.gz MRERLYIZVXUGTN-UHFFFAOYSA-N 2 2 336.505 1.675 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000753095872 579872511 /nfs/dbraw/zinc/87/25/11/579872511.db2.gz XUWFEFUHYXSBJY-QGZVFWFLSA-N 2 2 335.492 1.637 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000753095872 579872512 /nfs/dbraw/zinc/87/25/12/579872512.db2.gz XUWFEFUHYXSBJY-QGZVFWFLSA-N 2 2 335.492 1.637 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000753095872 579872513 /nfs/dbraw/zinc/87/25/13/579872513.db2.gz XUWFEFUHYXSBJY-QGZVFWFLSA-N 2 2 335.492 1.637 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000753095872 579872514 /nfs/dbraw/zinc/87/25/14/579872514.db2.gz XUWFEFUHYXSBJY-QGZVFWFLSA-N 2 2 335.492 1.637 20 0 EDADLP O=C1CC2(CN1C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CCOCC2 ZINC000753099536 579872558 /nfs/dbraw/zinc/87/25/58/579872558.db2.gz BGODDPCGTQEBPJ-KRWDZBQOSA-N 2 2 335.492 1.781 20 0 EDADLP O=C1CC2(CN1C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)CCOCC2 ZINC000753099536 579872559 /nfs/dbraw/zinc/87/25/59/579872559.db2.gz BGODDPCGTQEBPJ-KRWDZBQOSA-N 2 2 335.492 1.781 20 0 EDADLP CC(C)C[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000755788757 579935185 /nfs/dbraw/zinc/93/51/85/579935185.db2.gz HXCUVHPBIKUUDJ-KDOFPFPSSA-N 2 2 332.448 1.978 20 0 EDADLP CC(C)C[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000755788757 579935186 /nfs/dbraw/zinc/93/51/86/579935186.db2.gz HXCUVHPBIKUUDJ-KDOFPFPSSA-N 2 2 332.448 1.978 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000756699112 579955333 /nfs/dbraw/zinc/95/53/33/579955333.db2.gz SBDYRXFZVDTUHU-DOTOQJQBSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000756699112 579955334 /nfs/dbraw/zinc/95/53/34/579955334.db2.gz SBDYRXFZVDTUHU-DOTOQJQBSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000759156823 579999857 /nfs/dbraw/zinc/99/98/57/579999857.db2.gz JHVZFVUVFXMICT-CKEIUWERSA-N 2 2 348.472 1.606 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000759156823 579999858 /nfs/dbraw/zinc/99/98/58/579999858.db2.gz JHVZFVUVFXMICT-CKEIUWERSA-N 2 2 348.472 1.606 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000764701675 580126733 /nfs/dbraw/zinc/12/67/33/580126733.db2.gz KXJGQRFYWJZFNP-INIZCTEOSA-N 2 2 328.501 1.471 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000764701675 580126734 /nfs/dbraw/zinc/12/67/34/580126734.db2.gz KXJGQRFYWJZFNP-INIZCTEOSA-N 2 2 328.501 1.471 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767557306 580192892 /nfs/dbraw/zinc/19/28/92/580192892.db2.gz XWZQEDZWQSUUGK-QGZVFWFLSA-N 2 2 335.448 1.984 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc3[nH+]ccn32)C[C@H](C)O1 ZINC000770062051 580252163 /nfs/dbraw/zinc/25/21/63/580252163.db2.gz KIDBWLVLXQKUIW-KBPBESRZSA-N 2 2 330.432 1.952 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000781093927 580541864 /nfs/dbraw/zinc/54/18/64/580541864.db2.gz PULNWRSGQDKFQN-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000781093927 580541865 /nfs/dbraw/zinc/54/18/65/580541865.db2.gz PULNWRSGQDKFQN-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP Cc1ccc(CNC(=O)CC[NH+]2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000781385501 580548034 /nfs/dbraw/zinc/54/80/34/580548034.db2.gz DCYXVZJKZOZOPH-UHFFFAOYSA-N 2 2 332.448 1.329 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000783995015 580611242 /nfs/dbraw/zinc/61/12/42/580611242.db2.gz QQSIFVAMRKZGIV-HOTGVXAUSA-N 2 2 331.464 1.111 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCCn2cc[nH+]c2)CC1=O ZINC000785644177 580648664 /nfs/dbraw/zinc/64/86/64/580648664.db2.gz OMDWTHFMOPHZPC-JKSUJKDBSA-N 2 2 348.447 1.149 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCCCn2cc[nH+]c2)CC1=O ZINC000785644177 580648665 /nfs/dbraw/zinc/64/86/65/580648665.db2.gz OMDWTHFMOPHZPC-JKSUJKDBSA-N 2 2 348.447 1.149 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCNC2=O)cc1 ZINC000786833734 580680606 /nfs/dbraw/zinc/68/06/06/580680606.db2.gz AAXPWSYTRYCZGX-YOEHRIQHSA-N 2 2 331.464 1.113 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCNC2=O)cc1 ZINC000786833734 580680607 /nfs/dbraw/zinc/68/06/07/580680607.db2.gz AAXPWSYTRYCZGX-YOEHRIQHSA-N 2 2 331.464 1.113 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525699 580748584 /nfs/dbraw/zinc/74/85/84/580748584.db2.gz MAKUBLBUYBOIHV-QZTJIDSGSA-N 2 2 331.460 1.176 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525699 580748585 /nfs/dbraw/zinc/74/85/85/580748585.db2.gz MAKUBLBUYBOIHV-QZTJIDSGSA-N 2 2 331.460 1.176 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCc3c2cnn3CCO)s1 ZINC000796280466 580949909 /nfs/dbraw/zinc/94/99/09/580949909.db2.gz MVUUMPINOHZUON-AWEZNQCLSA-N 2 2 335.477 1.561 20 0 EDADLP O=C1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126690 581017680 /nfs/dbraw/zinc/01/76/80/581017680.db2.gz ICCYHUOOIYSUHK-BZSNNMDCSA-N 2 2 341.455 1.778 20 0 EDADLP O=C1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126690 581017681 /nfs/dbraw/zinc/01/76/81/581017681.db2.gz ICCYHUOOIYSUHK-BZSNNMDCSA-N 2 2 341.455 1.778 20 0 EDADLP O=C1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126690 581017682 /nfs/dbraw/zinc/01/76/82/581017682.db2.gz ICCYHUOOIYSUHK-BZSNNMDCSA-N 2 2 341.455 1.778 20 0 EDADLP O=C1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126690 581017683 /nfs/dbraw/zinc/01/76/83/581017683.db2.gz ICCYHUOOIYSUHK-BZSNNMDCSA-N 2 2 341.455 1.778 20 0 EDADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)NCCF ZINC000800499461 581054061 /nfs/dbraw/zinc/05/40/61/581054061.db2.gz XYZNBQJCUSIJAU-CQSZACIVSA-N 2 2 336.455 1.785 20 0 EDADLP CCc1ccc([C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000800569071 581055048 /nfs/dbraw/zinc/05/50/48/581055048.db2.gz ISZASINUYLDCCA-SFHVURJKSA-N 2 2 331.460 1.444 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)C(C)(C)[NH+]3CCOCC3)cc2)CC1 ZINC000801107305 581065921 /nfs/dbraw/zinc/06/59/21/581065921.db2.gz FZHBESOBQAJGNM-UHFFFAOYSA-N 2 2 346.475 1.488 20 0 EDADLP CNc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc[nH+]1 ZINC000891831317 590642890 /nfs/dbraw/zinc/64/28/90/590642890.db2.gz SJJFXPXMBMLVTQ-UHFFFAOYSA-N 2 2 346.479 1.337 20 0 EDADLP CNc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)[nH+]cn1 ZINC000891831317 590642892 /nfs/dbraw/zinc/64/28/92/590642892.db2.gz SJJFXPXMBMLVTQ-UHFFFAOYSA-N 2 2 346.479 1.337 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000891846629 590651903 /nfs/dbraw/zinc/65/19/03/590651903.db2.gz OTAMHAFDPVPRHI-HNNXBMFYSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000891846629 590651906 /nfs/dbraw/zinc/65/19/06/590651906.db2.gz OTAMHAFDPVPRHI-HNNXBMFYSA-N 2 2 347.463 1.202 20 0 EDADLP CC[NH+]1CCN(c2ccc(CNc3cc(NC)[nH+]cn3)cn2)CC1 ZINC000891862158 590661111 /nfs/dbraw/zinc/66/11/11/590661111.db2.gz MZJKUMGYKORKJK-UHFFFAOYSA-N 2 2 327.436 1.667 20 0 EDADLP CC[NH+]1CCN(c2ccc(CNc3cc(NC)nc[nH+]3)cn2)CC1 ZINC000891862158 590661112 /nfs/dbraw/zinc/66/11/12/590661112.db2.gz MZJKUMGYKORKJK-UHFFFAOYSA-N 2 2 327.436 1.667 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000893113346 590668446 /nfs/dbraw/zinc/66/84/46/590668446.db2.gz WWMIINYTVCYADM-CQSZACIVSA-N 2 2 345.447 1.410 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000893192284 590703775 /nfs/dbraw/zinc/70/37/75/590703775.db2.gz ULCUDKIIUFYCGX-UHFFFAOYSA-N 2 2 327.432 1.319 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000893366734 590809249 /nfs/dbraw/zinc/80/92/49/590809249.db2.gz GOMGFYJHBAQFNB-GOEBONIOSA-N 2 2 339.480 1.502 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cn3ccnc3s2)CC1 ZINC000892174892 590844166 /nfs/dbraw/zinc/84/41/66/590844166.db2.gz HETSYIWSWVJQIN-AWEZNQCLSA-N 2 2 333.461 1.134 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cn3ccnc3s2)CC1 ZINC000892174892 590844170 /nfs/dbraw/zinc/84/41/70/590844170.db2.gz HETSYIWSWVJQIN-AWEZNQCLSA-N 2 2 333.461 1.134 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892198380 590862080 /nfs/dbraw/zinc/86/20/80/590862080.db2.gz BCFZJXWPMMZAFR-STQMWFEESA-N 2 2 337.493 1.560 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893646992 591034381 /nfs/dbraw/zinc/03/43/81/591034381.db2.gz QZKPBCGGMCSKEY-SFHVURJKSA-N 2 2 343.512 1.927 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000893646992 591034386 /nfs/dbraw/zinc/03/43/86/591034386.db2.gz QZKPBCGGMCSKEY-SFHVURJKSA-N 2 2 343.512 1.927 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000892483805 591043976 /nfs/dbraw/zinc/04/39/76/591043976.db2.gz AXIORMDSCRTIKQ-INIZCTEOSA-N 2 2 345.491 1.687 20 0 EDADLP COCCOc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000892487983 591045850 /nfs/dbraw/zinc/04/58/50/591045850.db2.gz ZTCMEVWTTIALGC-GASCZTMLSA-N 2 2 326.437 1.894 20 0 EDADLP COCCOc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000892487983 591045854 /nfs/dbraw/zinc/04/58/54/591045854.db2.gz ZTCMEVWTTIALGC-GASCZTMLSA-N 2 2 326.437 1.894 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c[nH+]1 ZINC000891349075 591054357 /nfs/dbraw/zinc/05/43/57/591054357.db2.gz USEBRJRJMRAPNE-NWDGAFQWSA-N 2 2 345.369 1.426 20 0 EDADLP O=C(OCc1ccccc1)N1CC([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000893707667 591056538 /nfs/dbraw/zinc/05/65/38/591056538.db2.gz WTDVHALKOUMOIU-HNNXBMFYSA-N 2 2 326.400 1.809 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000892527093 591059393 /nfs/dbraw/zinc/05/93/93/591059393.db2.gz ILNDKSLZCZOHLL-PBHICJAKSA-N 2 2 333.457 1.844 20 0 EDADLP CC(C)(C)c1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000892601532 591088997 /nfs/dbraw/zinc/08/89/97/591088997.db2.gz VWFMWEILLXYYIV-GFCCVEGCSA-N 2 2 334.468 1.664 20 0 EDADLP C[NH2+]C[C@H]1CCCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000891502936 591095467 /nfs/dbraw/zinc/09/54/67/591095467.db2.gz AJHBPEOAQIVENZ-LLVKDONJSA-N 2 2 333.358 1.729 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000893783215 591096264 /nfs/dbraw/zinc/09/62/64/591096264.db2.gz OPXCVONGNQNKNX-AWEZNQCLSA-N 2 2 342.447 1.840 20 0 EDADLP C[C@@H](O)c1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[nH+]1 ZINC000893837175 591109277 /nfs/dbraw/zinc/10/92/77/591109277.db2.gz HJPCYGRMZUGFOK-FFHGMXDLSA-N 2 2 332.448 1.630 20 0 EDADLP C[C@@H](O)c1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[nH+]1 ZINC000893837175 591109279 /nfs/dbraw/zinc/10/92/79/591109279.db2.gz HJPCYGRMZUGFOK-FFHGMXDLSA-N 2 2 332.448 1.630 20 0 EDADLP CC(C)([NH3+])CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000891541823 591114809 /nfs/dbraw/zinc/11/48/09/591114809.db2.gz NTVOXDREOMXQQT-KRWDZBQOSA-N 2 2 348.491 1.357 20 0 EDADLP Oc1cc(Br)cnc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000892670685 591121113 /nfs/dbraw/zinc/12/11/13/591121113.db2.gz XINTXQRJIKYOBC-UHFFFAOYSA-N 2 2 344.253 1.486 20 0 EDADLP CCn1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)nn1 ZINC000892675388 591123833 /nfs/dbraw/zinc/12/38/33/591123833.db2.gz AXVYUOMYAMCXHH-OAHLLOKOSA-N 2 2 329.448 1.809 20 0 EDADLP CCn1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nn1 ZINC000892675388 591123836 /nfs/dbraw/zinc/12/38/36/591123836.db2.gz AXVYUOMYAMCXHH-OAHLLOKOSA-N 2 2 329.448 1.809 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894084924 591183817 /nfs/dbraw/zinc/18/38/17/591183817.db2.gz PTKNFWILXSDLSA-MRXNPFEDSA-N 2 2 343.431 1.007 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894084924 591183821 /nfs/dbraw/zinc/18/38/21/591183821.db2.gz PTKNFWILXSDLSA-MRXNPFEDSA-N 2 2 343.431 1.007 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2nc3ccccc3n3nnnc23)CC1 ZINC000892815688 591191276 /nfs/dbraw/zinc/19/12/76/591191276.db2.gz HRAJMGKRZLVOEU-UHFFFAOYSA-N 2 2 340.435 1.110 20 0 EDADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000891707667 591194334 /nfs/dbraw/zinc/19/43/34/591194334.db2.gz FEWNJFJMUWXQLD-FZKCQIBNSA-N 2 2 329.448 1.490 20 0 EDADLP Cc1ccc(CNC(=O)NCc2cn(C)c[nH+]2)c(N2CCCC2)[nH+]1 ZINC000894102777 591194766 /nfs/dbraw/zinc/19/47/66/591194766.db2.gz XSAVXIIFRDBXTB-UHFFFAOYSA-N 2 2 328.420 1.723 20 0 EDADLP CN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1(C[NH3+])CCCCC1 ZINC000891710216 591195267 /nfs/dbraw/zinc/19/52/67/591195267.db2.gz XTZRUHXWOUECOM-OAHLLOKOSA-N 2 2 331.464 1.963 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000891728492 591201166 /nfs/dbraw/zinc/20/11/66/591201166.db2.gz DAWJQBFNIBFBMQ-QTDMDRALSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000891728492 591201170 /nfs/dbraw/zinc/20/11/70/591201170.db2.gz DAWJQBFNIBFBMQ-QTDMDRALSA-N 2 2 338.402 1.747 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2c3c(nn2C)CCC3)CC1 ZINC000895654939 591240993 /nfs/dbraw/zinc/24/09/93/591240993.db2.gz MEUSIFIHIWTHPY-UHFFFAOYSA-N 2 2 332.492 1.986 20 0 EDADLP O=S(=O)(c1ccccc1)N1CCC(C[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000894242248 591242301 /nfs/dbraw/zinc/24/23/01/591242301.db2.gz IFPHBXNXCXUVKS-UHFFFAOYSA-N 2 2 334.445 1.600 20 0 EDADLP C[NH+](C)C[C@@H]1C[NH+](C[C@H]2C[C@]2(C)Br)C[C@H]1C[NH+](C)C ZINC000895700690 591252956 /nfs/dbraw/zinc/25/29/56/591252956.db2.gz ZMSITLCSBULIOR-TUVASFSCSA-N 3 2 332.330 1.831 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(Cc4ccoc4)C3)C2)CC1 ZINC000893022158 591257937 /nfs/dbraw/zinc/25/79/37/591257937.db2.gz KIKGOVAHFAJFDA-KRWDZBQOSA-N 2 2 346.475 1.632 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(Cc4ccoc4)C3)C2)CC1 ZINC000893022158 591257939 /nfs/dbraw/zinc/25/79/39/591257939.db2.gz KIKGOVAHFAJFDA-KRWDZBQOSA-N 2 2 346.475 1.632 20 0 EDADLP O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2c[nH+]c[nH]2)N2CC[C@H]1C2 ZINC000894362878 591290043 /nfs/dbraw/zinc/29/00/43/591290043.db2.gz YLPQQUCNKRHXJA-IRXDYDNUSA-N 2 2 325.416 1.098 20 0 EDADLP CC(C)(C)c1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000894434794 591312414 /nfs/dbraw/zinc/31/24/14/591312414.db2.gz GSJWIHXOHUKOJP-ZDUSSCGKSA-N 2 2 334.468 1.442 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccnn3C3CCC3)CC2)CC1 ZINC000894451184 591315551 /nfs/dbraw/zinc/31/55/51/591315551.db2.gz DXCFVPTUDZCYEK-UHFFFAOYSA-N 2 2 345.491 1.594 20 0 EDADLP Cc1cc(F)ncc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000894451103 591315749 /nfs/dbraw/zinc/31/57/49/591315749.db2.gz BIHDUQPJRJYYDK-UHFFFAOYSA-N 2 2 334.439 1.515 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[NH+](CCF)C1)[N@@H+]1CCc2ccccc2C1 ZINC000898491766 591376749 /nfs/dbraw/zinc/37/67/49/591376749.db2.gz OCFUHFCOVOYSDF-MAUKXSAKSA-N 2 2 333.451 1.983 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[NH+](CCF)C1)[N@H+]1CCc2ccccc2C1 ZINC000898491766 591376755 /nfs/dbraw/zinc/37/67/55/591376755.db2.gz OCFUHFCOVOYSDF-MAUKXSAKSA-N 2 2 333.451 1.983 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)[NH+]1CCc2ccccc2C1 ZINC000898491766 591376760 /nfs/dbraw/zinc/37/67/60/591376760.db2.gz OCFUHFCOVOYSDF-MAUKXSAKSA-N 2 2 333.451 1.983 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)[NH+]1CCc2ccccc2C1 ZINC000898491766 591376764 /nfs/dbraw/zinc/37/67/64/591376764.db2.gz OCFUHFCOVOYSDF-MAUKXSAKSA-N 2 2 333.451 1.983 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898494012 591378050 /nfs/dbraw/zinc/37/80/50/591378050.db2.gz CVVSYSJMKMLTIX-JKSUJKDBSA-N 2 2 329.460 1.330 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898494012 591378054 /nfs/dbraw/zinc/37/80/54/591378054.db2.gz CVVSYSJMKMLTIX-JKSUJKDBSA-N 2 2 329.460 1.330 20 0 EDADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC([NH+]2CCCC2)C1 ZINC000898608689 591435912 /nfs/dbraw/zinc/43/59/12/591435912.db2.gz BLZNJJBTHAXVSD-SFHVURJKSA-N 2 2 329.444 1.194 20 0 EDADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC([NH+]2CCCC2)C1 ZINC000898608689 591435916 /nfs/dbraw/zinc/43/59/16/591435916.db2.gz BLZNJJBTHAXVSD-SFHVURJKSA-N 2 2 329.444 1.194 20 0 EDADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000897439936 591452777 /nfs/dbraw/zinc/45/27/77/591452777.db2.gz JXLRYKIGOKSQAO-GOSISDBHSA-N 2 2 330.432 1.234 20 0 EDADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)C2CC[NH+](CC(F)F)CC2)C12CCC2 ZINC000898832093 591551857 /nfs/dbraw/zinc/55/18/57/591551857.db2.gz WCVPCQATTGOYOG-UONOGXRCSA-N 2 2 329.435 1.953 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000896633230 591560347 /nfs/dbraw/zinc/56/03/47/591560347.db2.gz RNLHWDXLEPWPBW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000896633230 591560348 /nfs/dbraw/zinc/56/03/48/591560348.db2.gz RNLHWDXLEPWPBW-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898901663 591586960 /nfs/dbraw/zinc/58/69/60/591586960.db2.gz MQCPFMBIDPZBFE-UHFFFAOYSA-N 2 2 344.463 1.380 20 0 EDADLP C[NH+](C)CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccnc1 ZINC000896716344 591592431 /nfs/dbraw/zinc/59/24/31/591592431.db2.gz HCGUGVALNSKCHM-MRXNPFEDSA-N 2 2 325.478 1.489 20 0 EDADLP C[NH+]1CCN(c2cc(-c3noc(CCc4[nH]cc[nH+]4)n3)ccn2)CC1 ZINC000896772409 591609115 /nfs/dbraw/zinc/60/91/15/591609115.db2.gz BJYMAWMZCCXLSK-UHFFFAOYSA-N 2 2 339.403 1.392 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCc2c(C)[nH+]c3ccccn32)CC1 ZINC000898971259 591622514 /nfs/dbraw/zinc/62/25/14/591622514.db2.gz ALBVCCDYVDGNGX-UHFFFAOYSA-N 2 2 345.447 1.506 20 0 EDADLP COCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)o1 ZINC000895230187 591666436 /nfs/dbraw/zinc/66/64/36/591666436.db2.gz NBVKUDFIXBHVCN-MRXNPFEDSA-N 2 2 338.448 1.992 20 0 EDADLP COCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)o1 ZINC000895230187 591666440 /nfs/dbraw/zinc/66/64/40/591666440.db2.gz NBVKUDFIXBHVCN-MRXNPFEDSA-N 2 2 338.448 1.992 20 0 EDADLP C[C@@H]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000896980621 591699989 /nfs/dbraw/zinc/69/99/89/591699989.db2.gz NEZVTDWODQWKEX-PBHICJAKSA-N 2 2 332.448 1.403 20 0 EDADLP Cc1cc(NCCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)nc(C(C)C)[nH+]1 ZINC000899135464 591704391 /nfs/dbraw/zinc/70/43/91/591704391.db2.gz CQNCQONBXNXTSG-HNNXBMFYSA-N 2 2 347.463 1.157 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2c3c(nn2C)CCSC3)CC1 ZINC000895354910 591725901 /nfs/dbraw/zinc/72/59/01/591725901.db2.gz VQSHHJVYHCLCLR-UHFFFAOYSA-N 2 2 332.477 1.265 20 0 EDADLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000899255191 591746538 /nfs/dbraw/zinc/74/65/38/591746538.db2.gz RWWMHRNIJZMRHG-DWQUBVKVSA-N 2 2 347.846 1.855 20 0 EDADLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000899255191 591746541 /nfs/dbraw/zinc/74/65/41/591746541.db2.gz RWWMHRNIJZMRHG-DWQUBVKVSA-N 2 2 347.846 1.855 20 0 EDADLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000899255191 591746543 /nfs/dbraw/zinc/74/65/43/591746543.db2.gz RWWMHRNIJZMRHG-DWQUBVKVSA-N 2 2 347.846 1.855 20 0 EDADLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000899255191 591746547 /nfs/dbraw/zinc/74/65/47/591746547.db2.gz RWWMHRNIJZMRHG-DWQUBVKVSA-N 2 2 347.846 1.855 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000897229779 591779464 /nfs/dbraw/zinc/77/94/64/591779464.db2.gz XCZLKCRJKFGUOZ-MRXNPFEDSA-N 2 2 339.480 1.696 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000897229779 591779467 /nfs/dbraw/zinc/77/94/67/591779467.db2.gz XCZLKCRJKFGUOZ-MRXNPFEDSA-N 2 2 339.480 1.696 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000895550775 591798358 /nfs/dbraw/zinc/79/83/58/591798358.db2.gz GNFILZUPYYEVPO-UHFFFAOYSA-N 2 2 345.491 1.603 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CC2CCSCC2)CC1 ZINC000895550150 591803564 /nfs/dbraw/zinc/80/35/64/591803564.db2.gz AGEZTOMZZKWNAA-UHFFFAOYSA-N 2 2 325.522 1.935 20 0 EDADLP C/C(=C/C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900285663 591972074 /nfs/dbraw/zinc/97/20/74/591972074.db2.gz ZEZUXFXYUOMGKG-WTQUMQLASA-N 2 2 349.450 1.823 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@@H]([C@H]3CCCO3)CC2=O)CCN1c1cc[nH+]cc1 ZINC000902372729 591981743 /nfs/dbraw/zinc/98/17/43/591981743.db2.gz UQINRJVHYPVXBP-SOLBZPMBSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@@H]([C@H]3CCCO3)CC2=O)CCN1c1cc[nH+]cc1 ZINC000902372729 591981745 /nfs/dbraw/zinc/98/17/45/591981745.db2.gz UQINRJVHYPVXBP-SOLBZPMBSA-N 2 2 344.459 1.577 20 0 EDADLP CCc1nnc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000900340353 591989245 /nfs/dbraw/zinc/98/92/45/591989245.db2.gz XNFNAKMMCRNXKT-UHFFFAOYSA-N 2 2 332.433 1.500 20 0 EDADLP CCn1c[nH+]c(CNc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000902390737 591990086 /nfs/dbraw/zinc/99/00/86/591990086.db2.gz ABHDGWFBSJWJJT-UHFFFAOYSA-N 2 2 341.459 1.832 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CC[NH2+]CC[NH2+]CC2)nc[nH+]1 ZINC000900369356 591998884 /nfs/dbraw/zinc/99/88/84/591998884.db2.gz SDXUHMWTYAOVBE-CRAIPNDOSA-N 3 2 348.495 1.091 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CC[NH2+]CC[NH2+]CC2)ncn1 ZINC000900369356 591998887 /nfs/dbraw/zinc/99/88/87/591998887.db2.gz SDXUHMWTYAOVBE-CRAIPNDOSA-N 2 2 348.495 1.091 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000900411010 592011148 /nfs/dbraw/zinc/01/11/48/592011148.db2.gz AMJHMJQMJXWTFE-SFHVURJKSA-N 2 2 336.524 1.489 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000900411010 592011151 /nfs/dbraw/zinc/01/11/51/592011151.db2.gz AMJHMJQMJXWTFE-SFHVURJKSA-N 2 2 336.524 1.489 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNc1cccc[nH+]1 ZINC000900482063 592030826 /nfs/dbraw/zinc/03/08/26/592030826.db2.gz YPNGOQXOTXVWDN-INIZCTEOSA-N 3 2 333.480 1.368 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNc1cccc[nH+]1 ZINC000900482063 592030827 /nfs/dbraw/zinc/03/08/27/592030827.db2.gz YPNGOQXOTXVWDN-INIZCTEOSA-N 3 2 333.480 1.368 20 0 EDADLP CNC(=O)CN1CCC([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902742145 592055316 /nfs/dbraw/zinc/05/53/16/592055316.db2.gz ZUNSZAKPSYNQOZ-OAHLLOKOSA-N 2 2 341.459 1.733 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H](O)c3cccc(Cl)c3)nn2)CC1 ZINC000900583518 592056518 /nfs/dbraw/zinc/05/65/18/592056518.db2.gz VGVXNHVXAURQLX-QGZVFWFLSA-N 2 2 349.866 1.849 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)nn1 ZINC000902751380 592057439 /nfs/dbraw/zinc/05/74/39/592057439.db2.gz UJPZAXUYESGLDG-HNNXBMFYSA-N 2 2 343.479 1.686 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(C)C)CC2)C1 ZINC000900598314 592064172 /nfs/dbraw/zinc/06/41/72/592064172.db2.gz MPJVENLEPNCTPX-GOSISDBHSA-N 2 2 347.507 1.771 20 0 EDADLP C[C@H](c1ccccc1)[C@H](O)Cn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1 ZINC000900584219 592069643 /nfs/dbraw/zinc/06/96/43/592069643.db2.gz XPMUEPNUNDNUSF-DNVCBOLYSA-N 2 2 343.475 1.627 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000902884229 592079215 /nfs/dbraw/zinc/07/92/15/592079215.db2.gz CIBVXCCJPKZIOA-CYBMUJFWSA-N 2 2 339.509 1.878 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000902884229 592079216 /nfs/dbraw/zinc/07/92/16/592079216.db2.gz CIBVXCCJPKZIOA-CYBMUJFWSA-N 2 2 339.509 1.878 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900756866 592107994 /nfs/dbraw/zinc/10/79/94/592107994.db2.gz URAJWFLAJNBJPN-UHFFFAOYSA-N 2 2 346.475 1.891 20 0 EDADLP CC[C@@H]1C[N@H+](CCn2cccn2)CCN1C(=O)CNc1cccc[nH+]1 ZINC000900763956 592127519 /nfs/dbraw/zinc/12/75/19/592127519.db2.gz FTRZNHUIEFIKOI-MRXNPFEDSA-N 2 2 342.447 1.313 20 0 EDADLP CC[C@@H]1C[N@@H+](CCn2cccn2)CCN1C(=O)CNc1cccc[nH+]1 ZINC000900763956 592127521 /nfs/dbraw/zinc/12/75/21/592127521.db2.gz FTRZNHUIEFIKOI-MRXNPFEDSA-N 2 2 342.447 1.313 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903467841 592174606 /nfs/dbraw/zinc/17/46/06/592174606.db2.gz DZVAJETZANFDAH-MRXNPFEDSA-N 2 2 335.423 1.537 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)NCc1cnn(-c2ccccc2)c1 ZINC000903467536 592174822 /nfs/dbraw/zinc/17/48/22/592174822.db2.gz BJQULAOVRGGCTF-KRWDZBQOSA-N 2 2 339.443 1.363 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470826 592175153 /nfs/dbraw/zinc/17/51/53/592175153.db2.gz DQQHINULKZEDPN-DLBZAZTESA-N 3 2 330.476 1.280 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)NCCCOc1ccccc1F ZINC000903485753 592178134 /nfs/dbraw/zinc/17/81/34/592178134.db2.gz PYHLXJKBQMRYCP-KRWDZBQOSA-N 2 2 349.450 1.975 20 0 EDADLP C/C(=C/C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000900955111 592183696 /nfs/dbraw/zinc/18/36/96/592183696.db2.gz MHUHTUUKPQUOCQ-SSZFMOIBSA-N 2 2 349.450 1.652 20 0 EDADLP C/C(=C/C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000900955111 592183699 /nfs/dbraw/zinc/18/36/99/592183699.db2.gz MHUHTUUKPQUOCQ-SSZFMOIBSA-N 2 2 349.450 1.652 20 0 EDADLP CCOC(=O)CNC(=O)C1CC[NH+](C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904346537 592235246 /nfs/dbraw/zinc/23/52/46/592235246.db2.gz STQCNJPSDJPAHN-HNNXBMFYSA-N 2 2 341.496 1.531 20 0 EDADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000904383940 592247273 /nfs/dbraw/zinc/24/72/73/592247273.db2.gz DLQPALJJPZNWCW-HNNXBMFYSA-N 3 2 330.480 1.969 20 0 EDADLP Cc1ccc(NC(=O)N2CC[NH2+]CCC23CCOCC3)c(N(C)C)[nH+]1 ZINC000904385986 592248328 /nfs/dbraw/zinc/24/83/28/592248328.db2.gz MCHNKNYBKZTBDZ-UHFFFAOYSA-N 2 2 347.463 1.832 20 0 EDADLP C/C(=C/C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)C[NH+]1CCOCC1 ZINC000901105596 592248405 /nfs/dbraw/zinc/24/84/05/592248405.db2.gz GWLFDQONVWTXOQ-VKAVYKQESA-N 2 2 344.459 1.317 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3c(Cl)nc(Cl)n3C)C[C@H]2[NH3+])c1 ZINC000904493490 592267047 /nfs/dbraw/zinc/26/70/47/592267047.db2.gz BKCMKAIFBZDEKH-RKDXNWHRSA-N 2 2 329.235 1.387 20 0 EDADLP C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906661500 592271335 /nfs/dbraw/zinc/27/13/35/592271335.db2.gz RECVVBQTUXUUDN-LZWOXQAQSA-N 2 2 345.491 1.360 20 0 EDADLP C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906661500 592271336 /nfs/dbraw/zinc/27/13/36/592271336.db2.gz RECVVBQTUXUUDN-LZWOXQAQSA-N 2 2 345.491 1.360 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903734013 592297845 /nfs/dbraw/zinc/29/78/45/592297845.db2.gz SHCSCGSYLFAZQJ-ROUUACIJSA-N 2 2 336.524 1.395 20 0 EDADLP C[C@H]1CCCCN1C(=O)CN1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903734013 592297848 /nfs/dbraw/zinc/29/78/48/592297848.db2.gz SHCSCGSYLFAZQJ-ROUUACIJSA-N 2 2 336.524 1.395 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903775030 592318288 /nfs/dbraw/zinc/31/82/88/592318288.db2.gz FQFFAGLAESHJCG-ROUUACIJSA-N 3 2 337.508 1.332 20 0 EDADLP COc1ccc([C@@H]2C[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903778195 592319342 /nfs/dbraw/zinc/31/93/42/592319342.db2.gz KIZNWCYYRVZDNH-GBESFXJTSA-N 2 2 332.444 1.837 20 0 EDADLP COc1ccc([C@@H]2C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903778195 592319350 /nfs/dbraw/zinc/31/93/50/592319350.db2.gz KIZNWCYYRVZDNH-GBESFXJTSA-N 2 2 332.444 1.837 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(C[C@@H]3CCC[C@@H](C(F)(F)F)O3)C[C@H]2[NH3+])c1 ZINC000903780522 592320618 /nfs/dbraw/zinc/32/06/18/592320618.db2.gz HZPJODCSTKYOLL-SFTQSGBHSA-N 2 2 332.370 1.647 20 0 EDADLP CO[C@H]1CCN(Cc2nc(C(=O)NC[C@H](C)Cn3cc[nH+]c3)co2)C1 ZINC000906768372 592323400 /nfs/dbraw/zinc/32/34/00/592323400.db2.gz ZNHFYCGWLGTMKZ-KBPBESRZSA-N 2 2 347.419 1.158 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)NC[C@H](C)Cn3cc[nH+]c3)co2)C1 ZINC000906768372 592323405 /nfs/dbraw/zinc/32/34/05/592323405.db2.gz ZNHFYCGWLGTMKZ-KBPBESRZSA-N 2 2 347.419 1.158 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NC[C@H](C)Cn3cc[nH+]c3)co2)C1 ZINC000906768372 592323410 /nfs/dbraw/zinc/32/34/10/592323410.db2.gz ZNHFYCGWLGTMKZ-KBPBESRZSA-N 2 2 347.419 1.158 20 0 EDADLP C/C(=C\C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000901338544 592335279 /nfs/dbraw/zinc/33/52/79/592335279.db2.gz WVRINIMMYHAEFB-KJCUYJGMSA-N 2 2 345.487 1.902 20 0 EDADLP C/C(=C\C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000901338544 592335283 /nfs/dbraw/zinc/33/52/83/592335283.db2.gz WVRINIMMYHAEFB-KJCUYJGMSA-N 2 2 345.487 1.902 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccc(N3CCCCC3)nc1)C2 ZINC000903843208 592342960 /nfs/dbraw/zinc/34/29/60/592342960.db2.gz FJMZCKWRCGDWCC-UXLLHSPISA-N 2 2 343.475 1.822 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccc(N3CCCCC3)nc1)C2 ZINC000903843208 592342964 /nfs/dbraw/zinc/34/29/64/592342964.db2.gz FJMZCKWRCGDWCC-UXLLHSPISA-N 2 2 343.475 1.822 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N(C)[C@@H]3CCC[NH+](C)C3)co2)C1 ZINC000906797383 592348471 /nfs/dbraw/zinc/34/84/71/592348471.db2.gz ICWNRGGSLUTVHX-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N(C)[C@@H]3CCC[NH+](C)C3)co2)C1 ZINC000906797383 592348474 /nfs/dbraw/zinc/34/84/74/592348474.db2.gz ICWNRGGSLUTVHX-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)co2)C1 ZINC000906797383 592348477 /nfs/dbraw/zinc/34/84/77/592348477.db2.gz ICWNRGGSLUTVHX-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)co2)C1 ZINC000906797383 592348481 /nfs/dbraw/zinc/34/84/81/592348481.db2.gz ICWNRGGSLUTVHX-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903891472 592352111 /nfs/dbraw/zinc/35/21/11/592352111.db2.gz ARTCAZNJIXMPGQ-HOTGVXAUSA-N 3 2 343.479 1.799 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903891472 592352115 /nfs/dbraw/zinc/35/21/15/592352115.db2.gz ARTCAZNJIXMPGQ-HOTGVXAUSA-N 3 2 343.479 1.799 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000908159703 592355001 /nfs/dbraw/zinc/35/50/01/592355001.db2.gz LLKCVJLZORTFMM-CQSZACIVSA-N 2 2 342.447 1.677 20 0 EDADLP O[C@H]([C@@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000903892350 592363548 /nfs/dbraw/zinc/36/35/48/592363548.db2.gz HSAKCCFXIXTEGF-WCFLWFBJSA-N 2 2 333.358 1.090 20 0 EDADLP O[C@H]([C@@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000903892350 592363553 /nfs/dbraw/zinc/36/35/53/592363553.db2.gz HSAKCCFXIXTEGF-WCFLWFBJSA-N 2 2 333.358 1.090 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cnn1C ZINC000903898838 592369144 /nfs/dbraw/zinc/36/91/44/592369144.db2.gz QJWFLTRMXGVVIW-ROUUACIJSA-N 3 2 333.524 1.654 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cnn1C ZINC000903898838 592369149 /nfs/dbraw/zinc/36/91/49/592369149.db2.gz QJWFLTRMXGVVIW-ROUUACIJSA-N 3 2 333.524 1.654 20 0 EDADLP Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903898490 592369467 /nfs/dbraw/zinc/36/94/67/592369467.db2.gz NWRKTOIGPKWKPN-CJNGLKHVSA-N 2 2 329.452 1.446 20 0 EDADLP Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903898490 592369472 /nfs/dbraw/zinc/36/94/72/592369472.db2.gz NWRKTOIGPKWKPN-CJNGLKHVSA-N 2 2 329.452 1.446 20 0 EDADLP COc1cccc2c1CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903903174 592371659 /nfs/dbraw/zinc/37/16/59/592371659.db2.gz SHNOZPAOBRYBHH-OAHLLOKOSA-N 2 2 327.432 1.770 20 0 EDADLP COc1cccc2c1CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903903174 592371664 /nfs/dbraw/zinc/37/16/64/592371664.db2.gz SHNOZPAOBRYBHH-OAHLLOKOSA-N 2 2 327.432 1.770 20 0 EDADLP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918326 592375761 /nfs/dbraw/zinc/37/57/61/592375761.db2.gz WSYAPHZZDWXMJP-MAUKXSAKSA-N 2 2 349.479 1.900 20 0 EDADLP CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918326 592375764 /nfs/dbraw/zinc/37/57/64/592375764.db2.gz WSYAPHZZDWXMJP-MAUKXSAKSA-N 2 2 349.479 1.900 20 0 EDADLP CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903929164 592382220 /nfs/dbraw/zinc/38/22/20/592382220.db2.gz BEAJJDUHDGOMKX-INIZCTEOSA-N 2 2 331.468 1.594 20 0 EDADLP CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903929164 592382226 /nfs/dbraw/zinc/38/22/26/592382226.db2.gz BEAJJDUHDGOMKX-INIZCTEOSA-N 2 2 331.468 1.594 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000906906923 592398041 /nfs/dbraw/zinc/39/80/41/592398041.db2.gz KLDPVYPJUFNJJP-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)c1ccccc1 ZINC000905095898 592421192 /nfs/dbraw/zinc/42/11/92/592421192.db2.gz HHALHHDWEQMHNU-WDYCEAGBSA-N 2 2 336.476 1.608 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2(O)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000905160833 592424832 /nfs/dbraw/zinc/42/48/32/592424832.db2.gz SXHVFYRWMFGMML-NXHRZFHOSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2(O)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000905160833 592424838 /nfs/dbraw/zinc/42/48/38/592424838.db2.gz SXHVFYRWMFGMML-NXHRZFHOSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905179673 592441151 /nfs/dbraw/zinc/44/11/51/592441151.db2.gz LJAGMUFJRFCYTL-CRAIPNDOSA-N 2 2 333.476 1.863 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000905259893 592480229 /nfs/dbraw/zinc/48/02/29/592480229.db2.gz HROGZZNNATWXCB-BPQIPLTHSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000905259893 592480231 /nfs/dbraw/zinc/48/02/31/592480231.db2.gz HROGZZNNATWXCB-BPQIPLTHSA-N 2 2 334.460 1.141 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cncc(O)c3)c2cc1C ZINC000905631285 592590789 /nfs/dbraw/zinc/59/07/89/592590789.db2.gz MVSXKYRCQAINRC-MRXNPFEDSA-N 2 2 326.400 1.904 20 0 EDADLP O=C1CC[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC000905715807 592622258 /nfs/dbraw/zinc/62/22/58/592622258.db2.gz SQQLGHBFYOOUQT-KDOFPFPSSA-N 2 2 344.463 1.136 20 0 EDADLP O=C1CC[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)[C@H](C2CC[NH2+]CC2)N1 ZINC000905715807 592622260 /nfs/dbraw/zinc/62/22/60/592622260.db2.gz SQQLGHBFYOOUQT-KDOFPFPSSA-N 2 2 344.463 1.136 20 0 EDADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)CC1(O)CCCC1 ZINC000905908617 592677468 /nfs/dbraw/zinc/67/74/68/592677468.db2.gz JTDQFORYEIHXIO-SFHVURJKSA-N 2 2 333.476 1.692 20 0 EDADLP Cc1ccc(-n2cc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)nn2)cc1 ZINC000906290678 592781390 /nfs/dbraw/zinc/78/13/90/592781390.db2.gz QSJBKXVROOFWJT-UHFFFAOYSA-N 2 2 342.491 1.645 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000906591724 592853561 /nfs/dbraw/zinc/85/35/61/592853561.db2.gz FQBIHEISQXQNFP-QGZVFWFLSA-N 2 2 333.480 1.186 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000906591724 592853563 /nfs/dbraw/zinc/85/35/63/592853563.db2.gz FQBIHEISQXQNFP-QGZVFWFLSA-N 2 2 333.480 1.186 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000910688220 592886062 /nfs/dbraw/zinc/88/60/62/592886062.db2.gz ZOSVXSUQWDVCNX-LSDHHAIUSA-N 2 2 347.463 1.167 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000910688220 592886063 /nfs/dbraw/zinc/88/60/63/592886063.db2.gz ZOSVXSUQWDVCNX-LSDHHAIUSA-N 2 2 347.463 1.167 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910778500 592893719 /nfs/dbraw/zinc/89/37/19/592893719.db2.gz WLZMFPGSMFTXSO-KRWDZBQOSA-N 2 2 336.439 1.932 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910778500 592893720 /nfs/dbraw/zinc/89/37/20/592893720.db2.gz WLZMFPGSMFTXSO-KRWDZBQOSA-N 2 2 336.439 1.932 20 0 EDADLP [NH3+][C@H]1CCCn2nc(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)cc21 ZINC000911643277 592965006 /nfs/dbraw/zinc/96/50/06/592965006.db2.gz RQCJIMSWICRLKN-AWEZNQCLSA-N 2 2 340.431 1.602 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cnc(C3CC3)o2)CC1 ZINC000888379530 593039315 /nfs/dbraw/zinc/03/93/15/593039315.db2.gz YTFMYCLYLLXWLG-UHFFFAOYSA-N 2 2 327.388 1.951 20 0 EDADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000912045894 593056258 /nfs/dbraw/zinc/05/62/58/593056258.db2.gz BOJCSOAWBBKDSC-HRCADAONSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000912045894 593056259 /nfs/dbraw/zinc/05/62/59/593056259.db2.gz BOJCSOAWBBKDSC-HRCADAONSA-N 2 2 325.497 1.865 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000912407115 593093866 /nfs/dbraw/zinc/09/38/66/593093866.db2.gz QCYWOXWTGHZZQX-UHFFFAOYSA-N 2 2 343.427 1.769 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)S1 ZINC000806934259 593129304 /nfs/dbraw/zinc/12/93/04/593129304.db2.gz UAHWFSLZYXOKAN-GJZGRUSLSA-N 2 2 338.521 1.886 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)S1 ZINC000806934259 593129305 /nfs/dbraw/zinc/12/93/05/593129305.db2.gz UAHWFSLZYXOKAN-GJZGRUSLSA-N 2 2 338.521 1.886 20 0 EDADLP O=C1C[C@@]2(CCOC2)CN1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000782943545 593130507 /nfs/dbraw/zinc/13/05/07/593130507.db2.gz UKNHPYDWOOEZNK-IBGZPJMESA-N 2 2 346.475 1.972 20 0 EDADLP OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000805767493 593140895 /nfs/dbraw/zinc/14/08/95/593140895.db2.gz WTAHTXLGAXOKED-BBWFWOEESA-N 2 2 336.501 1.944 20 0 EDADLP OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000805767493 593140898 /nfs/dbraw/zinc/14/08/98/593140898.db2.gz WTAHTXLGAXOKED-BBWFWOEESA-N 2 2 336.501 1.944 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)C2)C1 ZINC000840085535 593152762 /nfs/dbraw/zinc/15/27/62/593152762.db2.gz FJPLKJSHFUPPQW-WDSOQIARSA-N 2 2 333.476 1.532 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)C2)C1 ZINC000840085535 593152763 /nfs/dbraw/zinc/15/27/63/593152763.db2.gz FJPLKJSHFUPPQW-WDSOQIARSA-N 2 2 333.476 1.532 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)C2)C1 ZINC000840085535 593152765 /nfs/dbraw/zinc/15/27/65/593152765.db2.gz FJPLKJSHFUPPQW-WDSOQIARSA-N 2 2 333.476 1.532 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)C2)C1 ZINC000840085535 593152768 /nfs/dbraw/zinc/15/27/68/593152768.db2.gz FJPLKJSHFUPPQW-WDSOQIARSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1[C@H](C2CC2)[C@@H](C2CC2)N1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000839954862 593224257 /nfs/dbraw/zinc/22/42/57/593224257.db2.gz XBERBEIGXBPIGG-QZTJIDSGSA-N 2 2 326.444 1.808 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCO1 ZINC000838939135 593242260 /nfs/dbraw/zinc/24/22/60/593242260.db2.gz YJOVPWDGXANZKL-NZSAHSFTSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCO1 ZINC000838939135 593242262 /nfs/dbraw/zinc/24/22/62/593242262.db2.gz YJOVPWDGXANZKL-NZSAHSFTSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810724603 593426029 /nfs/dbraw/zinc/42/60/29/593426029.db2.gz ARACHAHQJRMRJZ-VKJFTORMSA-N 2 2 341.471 1.521 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810724603 593426030 /nfs/dbraw/zinc/42/60/30/593426030.db2.gz ARACHAHQJRMRJZ-VKJFTORMSA-N 2 2 341.471 1.521 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnn(C)c2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000816517247 593529039 /nfs/dbraw/zinc/52/90/39/593529039.db2.gz JQUSMUVHELUFDU-HIFRSBDPSA-N 2 2 325.888 1.531 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnn(C)c2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000816517247 593529040 /nfs/dbraw/zinc/52/90/40/593529040.db2.gz JQUSMUVHELUFDU-HIFRSBDPSA-N 2 2 325.888 1.531 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)CCO1 ZINC000813617480 593543865 /nfs/dbraw/zinc/54/38/65/593543865.db2.gz XZUONZGSHXDJSC-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)CCO1 ZINC000813617480 593543866 /nfs/dbraw/zinc/54/38/66/593543866.db2.gz XZUONZGSHXDJSC-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CCO1 ZINC000813617480 593543867 /nfs/dbraw/zinc/54/38/67/593543867.db2.gz XZUONZGSHXDJSC-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP CCS(=O)(=O)CC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817276125 593587351 /nfs/dbraw/zinc/58/73/51/593587351.db2.gz RIUJLLZRNHWWGX-UHFFFAOYSA-N 2 2 340.489 1.385 20 0 EDADLP CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817276125 593587353 /nfs/dbraw/zinc/58/73/53/593587353.db2.gz RIUJLLZRNHWWGX-UHFFFAOYSA-N 2 2 340.489 1.385 20 0 EDADLP COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000817893809 593646351 /nfs/dbraw/zinc/64/63/51/593646351.db2.gz IBTKUZHAEJXTOI-KZNAEPCWSA-N 2 2 336.432 1.094 20 0 EDADLP C[NH+]1CCC(CNC(=O)/C=C/[C@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000819316183 593750553 /nfs/dbraw/zinc/75/05/53/593750553.db2.gz FVRBDIFDXUCBQI-IWAYRVGRSA-N 2 2 335.492 1.788 20 0 EDADLP C[C@H](C[NH2+]c1ccc(N2CCC[N@H+](C)CC2)cc1)S(C)(=O)=O ZINC000819411725 593753780 /nfs/dbraw/zinc/75/37/80/593753780.db2.gz PFUMYIRJTGYLHI-CQSZACIVSA-N 2 2 325.478 1.674 20 0 EDADLP C[C@H](C[NH2+]c1ccc(N2CCC[N@@H+](C)CC2)cc1)S(C)(=O)=O ZINC000819411725 593753781 /nfs/dbraw/zinc/75/37/81/593753781.db2.gz PFUMYIRJTGYLHI-CQSZACIVSA-N 2 2 325.478 1.674 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820092284 593789975 /nfs/dbraw/zinc/78/99/75/593789975.db2.gz AEYVAQKMLVMYPT-HTXZXRQPSA-N 2 2 341.455 1.121 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000820092284 593789976 /nfs/dbraw/zinc/78/99/76/593789976.db2.gz AEYVAQKMLVMYPT-HTXZXRQPSA-N 2 2 341.455 1.121 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H](C)C[NH+](C)C ZINC000821564576 593864885 /nfs/dbraw/zinc/86/48/85/593864885.db2.gz KAEUCNPTFPPMTK-ZDUSSCGKSA-N 2 2 335.452 1.546 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000821600476 593876245 /nfs/dbraw/zinc/87/62/45/593876245.db2.gz OBKUVDINJMNQHL-UHFFFAOYSA-N 2 2 348.426 1.284 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000821600476 593876247 /nfs/dbraw/zinc/87/62/47/593876247.db2.gz OBKUVDINJMNQHL-UHFFFAOYSA-N 2 2 348.426 1.284 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)CO ZINC000824474827 594019781 /nfs/dbraw/zinc/01/97/81/594019781.db2.gz JNFNTJXSTPSJFN-CQSZACIVSA-N 2 2 327.388 1.786 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824568978 594040030 /nfs/dbraw/zinc/04/00/30/594040030.db2.gz FGBHULSSPIQWHQ-OCCSQVGLSA-N 2 2 348.426 1.503 20 0 EDADLP CN1C(=O)NCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000822530128 594063135 /nfs/dbraw/zinc/06/31/35/594063135.db2.gz RBWTUTXFRZTWLX-UHFFFAOYSA-N 2 2 326.404 1.257 20 0 EDADLP Cc1nn(CC(F)F)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824958456 594105484 /nfs/dbraw/zinc/10/54/84/594105484.db2.gz ZCDDTOQFLSDTFK-UHFFFAOYSA-N 2 2 331.411 1.070 20 0 EDADLP Cc1nn(CC(F)F)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824958456 594105486 /nfs/dbraw/zinc/10/54/86/594105486.db2.gz ZCDDTOQFLSDTFK-UHFFFAOYSA-N 2 2 331.411 1.070 20 0 EDADLP COC[C@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)c(OC)c2)no1 ZINC000822925552 594122667 /nfs/dbraw/zinc/12/26/67/594122667.db2.gz DPXRZQUDKVZJJB-LBPRGKRZSA-N 2 2 336.392 1.332 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000825174502 594142024 /nfs/dbraw/zinc/14/20/24/594142024.db2.gz NGBZJWNLJSRSNY-SJLPKXTDSA-N 2 2 331.460 1.436 20 0 EDADLP CC[NH+]1CCC([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825451930 594187196 /nfs/dbraw/zinc/18/71/96/594187196.db2.gz LYYXLBOZBRMELB-UHFFFAOYSA-N 2 2 340.435 1.431 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825451930 594187197 /nfs/dbraw/zinc/18/71/97/594187197.db2.gz LYYXLBOZBRMELB-UHFFFAOYSA-N 2 2 340.435 1.431 20 0 EDADLP COC(=O)/C=C/c1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)o1 ZINC000827884850 594297041 /nfs/dbraw/zinc/29/70/41/594297041.db2.gz JVVYKTQXECVGPC-AATRIKPKSA-N 2 2 330.388 1.522 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000826169320 594360627 /nfs/dbraw/zinc/36/06/27/594360627.db2.gz OXNMDNSTIDTGJJ-HNNXBMFYSA-N 2 2 339.403 1.909 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000826169320 594360629 /nfs/dbraw/zinc/36/06/29/594360629.db2.gz OXNMDNSTIDTGJJ-HNNXBMFYSA-N 2 2 339.403 1.909 20 0 EDADLP Cc1cccc2c(NCCCn3cc[nH+]c3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000826305283 594416153 /nfs/dbraw/zinc/41/61/53/594416153.db2.gz QQKHPTJWXZDHBV-UHFFFAOYSA-N 2 2 334.387 1.844 20 0 EDADLP O[C@H](C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C[NH+]1CCCC1 ZINC000826503377 594505752 /nfs/dbraw/zinc/50/57/52/594505752.db2.gz WDEQVGNNTHJMSI-WBVHZDCISA-N 2 2 342.447 1.290 20 0 EDADLP c1cn(CC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c[nH+]1 ZINC000826525144 594518549 /nfs/dbraw/zinc/51/85/49/594518549.db2.gz YMPZTGHNNRZVCI-UHFFFAOYSA-N 2 2 339.403 1.607 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000826589412 594534036 /nfs/dbraw/zinc/53/40/36/594534036.db2.gz IDOOKLPNKDZILB-QGZVFWFLSA-N 2 2 328.416 1.209 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000826589412 594534039 /nfs/dbraw/zinc/53/40/39/594534039.db2.gz IDOOKLPNKDZILB-QGZVFWFLSA-N 2 2 328.416 1.209 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)[NH+](C)C ZINC000826596229 594535447 /nfs/dbraw/zinc/53/54/47/594535447.db2.gz AIOAPJSOPWIOIL-QZTJIDSGSA-N 2 2 333.476 1.652 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)[NH+](C)C ZINC000826596229 594535448 /nfs/dbraw/zinc/53/54/48/594535448.db2.gz AIOAPJSOPWIOIL-QZTJIDSGSA-N 2 2 333.476 1.652 20 0 EDADLP [NH3+]CCCCCCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000831093557 594554784 /nfs/dbraw/zinc/55/47/84/594554784.db2.gz BMHRGHWPUOJKKI-UHFFFAOYSA-N 2 2 348.491 1.837 20 0 EDADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000826846632 594587562 /nfs/dbraw/zinc/58/75/62/594587562.db2.gz RLQYRUDYHKQXDO-LBPRGKRZSA-N 2 2 345.365 1.967 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC000831480629 594639904 /nfs/dbraw/zinc/63/99/04/594639904.db2.gz HIAIBKGLOCLURZ-OKILXGFUSA-N 2 2 331.420 1.907 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC000831480629 594639906 /nfs/dbraw/zinc/63/99/06/594639906.db2.gz HIAIBKGLOCLURZ-OKILXGFUSA-N 2 2 331.420 1.907 20 0 EDADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000829589132 594646124 /nfs/dbraw/zinc/64/61/24/594646124.db2.gz SNTWNBJNXQNUEO-PLNGDYQASA-N 2 2 337.508 1.701 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000827494792 594677271 /nfs/dbraw/zinc/67/72/71/594677271.db2.gz PGFJEIZWSDLFND-ARFHVFGLSA-N 2 2 332.448 1.283 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCCCC3)cc2)[C@H](C[NH3+])C1 ZINC000841005241 594837987 /nfs/dbraw/zinc/83/79/87/594837987.db2.gz HWVXRZDANBAMTM-QGZVFWFLSA-N 2 2 331.464 1.784 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(N3CCCCC3)cc2)[C@H](C[NH3+])C1 ZINC000841005241 594837989 /nfs/dbraw/zinc/83/79/89/594837989.db2.gz HWVXRZDANBAMTM-QGZVFWFLSA-N 2 2 331.464 1.784 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)S1 ZINC000841977057 594994104 /nfs/dbraw/zinc/99/41/04/594994104.db2.gz KKHOSCKFEPLFJL-ZDUSSCGKSA-N 2 2 339.509 1.337 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c21)Cc1ccccc1 ZINC000837354997 595091434 /nfs/dbraw/zinc/09/14/34/595091434.db2.gz XVTVSUWRRIBIIB-HOTGVXAUSA-N 2 2 327.432 1.800 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000837492170 595124076 /nfs/dbraw/zinc/12/40/76/595124076.db2.gz XAUFPZRFQSGIND-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000837492170 595124078 /nfs/dbraw/zinc/12/40/78/595124078.db2.gz XAUFPZRFQSGIND-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000842672752 595166493 /nfs/dbraw/zinc/16/64/93/595166493.db2.gz AZEVIAREHGQDGZ-GFCCVEGCSA-N 2 2 329.441 1.293 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000842672752 595166495 /nfs/dbraw/zinc/16/64/95/595166495.db2.gz AZEVIAREHGQDGZ-GFCCVEGCSA-N 2 2 329.441 1.293 20 0 EDADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@@H]1CC[NH3+] ZINC000846226369 595178858 /nfs/dbraw/zinc/17/88/58/595178858.db2.gz LMCVETCRNMSFDS-IAQYHMDHSA-N 2 2 331.420 1.656 20 0 EDADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@@H]1CC[NH3+] ZINC000846226369 595178862 /nfs/dbraw/zinc/17/88/62/595178862.db2.gz LMCVETCRNMSFDS-IAQYHMDHSA-N 2 2 331.420 1.656 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(N2CCNC2=O)cc1 ZINC000834850364 595230242 /nfs/dbraw/zinc/23/02/42/595230242.db2.gz KZDACPBIDCPSKV-CRAIPNDOSA-N 2 2 346.475 1.714 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(N2CCNC2=O)cc1 ZINC000834850364 595230244 /nfs/dbraw/zinc/23/02/44/595230244.db2.gz KZDACPBIDCPSKV-CRAIPNDOSA-N 2 2 346.475 1.714 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000844022830 595247017 /nfs/dbraw/zinc/24/70/17/595247017.db2.gz RXQSKAGGENGYAE-HRCADAONSA-N 2 2 336.480 1.964 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000844022830 595247019 /nfs/dbraw/zinc/24/70/19/595247019.db2.gz RXQSKAGGENGYAE-HRCADAONSA-N 2 2 336.480 1.964 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000843107639 595288221 /nfs/dbraw/zinc/28/82/21/595288221.db2.gz GBKQXNQQHWRURH-RTBURBONSA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000843107639 595288222 /nfs/dbraw/zinc/28/82/22/595288222.db2.gz GBKQXNQQHWRURH-RTBURBONSA-N 2 2 332.419 1.942 20 0 EDADLP [NH3+]C1CCC(OCC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000844167494 595289377 /nfs/dbraw/zinc/28/93/77/595289377.db2.gz AEHSWLQHRUDJEI-UHFFFAOYSA-N 2 2 329.404 1.170 20 0 EDADLP O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000844176555 595292837 /nfs/dbraw/zinc/29/28/37/595292837.db2.gz TVXRUMVHWUIJDQ-AWEZNQCLSA-N 2 2 332.379 1.396 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000846673104 595298081 /nfs/dbraw/zinc/29/80/81/595298081.db2.gz NTJXXGRLRXRUTH-CKEIUWERSA-N 2 2 334.464 1.518 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)CO[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000844191598 595298405 /nfs/dbraw/zinc/29/84/05/595298405.db2.gz YXUIGAAVOOQZAG-SFHVURJKSA-N 2 2 346.475 1.141 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](C)C3CC([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000844225385 595309200 /nfs/dbraw/zinc/30/92/00/595309200.db2.gz PGMAONUFYLEXAS-VBCSKYIJSA-N 2 2 346.475 1.660 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](C)C3CC([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000844225385 595309203 /nfs/dbraw/zinc/30/92/03/595309203.db2.gz PGMAONUFYLEXAS-VBCSKYIJSA-N 2 2 346.475 1.660 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846796309 595317510 /nfs/dbraw/zinc/31/75/10/595317510.db2.gz IRHCWROZBQWMPS-UHFFFAOYSA-N 2 2 330.270 1.154 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000846816422 595320787 /nfs/dbraw/zinc/32/07/87/595320787.db2.gz WFZXGRSSKWQCJL-OWCLPIDISA-N 2 2 326.437 1.107 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000846816422 595320788 /nfs/dbraw/zinc/32/07/88/595320788.db2.gz WFZXGRSSKWQCJL-OWCLPIDISA-N 2 2 326.437 1.107 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000846816422 595320791 /nfs/dbraw/zinc/32/07/91/595320791.db2.gz WFZXGRSSKWQCJL-OWCLPIDISA-N 2 2 326.437 1.107 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000846816422 595320794 /nfs/dbraw/zinc/32/07/94/595320794.db2.gz WFZXGRSSKWQCJL-OWCLPIDISA-N 2 2 326.437 1.107 20 0 EDADLP O=C1[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CN1C[NH+]1CCSCC1 ZINC000844684981 595372653 /nfs/dbraw/zinc/37/26/53/595372653.db2.gz OFWSNAJGIGLOBT-ROUUACIJSA-N 2 2 345.512 1.973 20 0 EDADLP O=C1[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CN1C[NH+]1CCSCC1 ZINC000844684981 595372655 /nfs/dbraw/zinc/37/26/55/595372655.db2.gz OFWSNAJGIGLOBT-ROUUACIJSA-N 2 2 345.512 1.973 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C[C@@H](C(=O)OC(C)(C)C)CC2=O)C1 ZINC000844698846 595376971 /nfs/dbraw/zinc/37/69/71/595376971.db2.gz QNKJCLFRIPVFBN-KBPBESRZSA-N 2 2 348.447 1.357 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C[C@@H](C(=O)OC(C)(C)C)CC2=O)C1 ZINC000844698846 595376974 /nfs/dbraw/zinc/37/69/74/595376974.db2.gz QNKJCLFRIPVFBN-KBPBESRZSA-N 2 2 348.447 1.357 20 0 EDADLP C/C(=C/c1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485497 595431342 /nfs/dbraw/zinc/43/13/42/595431342.db2.gz FRHBABGPCFTTGL-AKMXKPQHSA-N 2 2 328.460 1.770 20 0 EDADLP C/C(=C/c1ccccn1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485497 595431343 /nfs/dbraw/zinc/43/13/43/595431343.db2.gz FRHBABGPCFTTGL-AKMXKPQHSA-N 2 2 328.460 1.770 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)CC2 ZINC000845160123 595453144 /nfs/dbraw/zinc/45/31/44/595453144.db2.gz FSYCRVLSGONILA-OAHLLOKOSA-N 2 2 336.399 1.651 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1n[nH]c(-c2ccccc2)n1 ZINC000849074421 595478244 /nfs/dbraw/zinc/47/82/44/595478244.db2.gz XVEUVXBFGBNKJZ-CQSZACIVSA-N 2 2 327.436 1.570 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1n[nH]c(-c2ccccc2)n1 ZINC000849074421 595478245 /nfs/dbraw/zinc/47/82/45/595478245.db2.gz XVEUVXBFGBNKJZ-CQSZACIVSA-N 2 2 327.436 1.570 20 0 EDADLP COC(=O)NC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000852763042 595532617 /nfs/dbraw/zinc/53/26/17/595532617.db2.gz FLDKMZXJXFLQLK-UHFFFAOYSA-N 2 2 347.459 1.839 20 0 EDADLP CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765652 595533643 /nfs/dbraw/zinc/53/36/43/595533643.db2.gz QHJZSABFXJWSRX-LSDHHAIUSA-N 2 2 349.479 1.340 20 0 EDADLP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765652 595533644 /nfs/dbraw/zinc/53/36/44/595533644.db2.gz QHJZSABFXJWSRX-LSDHHAIUSA-N 2 2 349.479 1.340 20 0 EDADLP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c(C)c[nH+]1 ZINC000849567991 595572472 /nfs/dbraw/zinc/57/24/72/595572472.db2.gz LIEQSDHTCLVZBC-HOTGVXAUSA-N 2 2 327.432 1.528 20 0 EDADLP Cc1cc(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c(C)c[nH+]1 ZINC000849567991 595572474 /nfs/dbraw/zinc/57/24/74/595572474.db2.gz LIEQSDHTCLVZBC-HOTGVXAUSA-N 2 2 327.432 1.528 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852856755 595577986 /nfs/dbraw/zinc/57/79/86/595577986.db2.gz DVJJWVHMHKTVOR-UHFFFAOYSA-N 2 2 342.443 1.323 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccn1 ZINC000853109649 595667279 /nfs/dbraw/zinc/66/72/79/595667279.db2.gz PGGJHPZIYLUVCT-CMKODMSKSA-N 2 2 341.455 1.588 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccn1 ZINC000853109649 595667283 /nfs/dbraw/zinc/66/72/83/595667283.db2.gz PGGJHPZIYLUVCT-CMKODMSKSA-N 2 2 341.455 1.588 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000855415331 595704418 /nfs/dbraw/zinc/70/44/18/595704418.db2.gz VHLWSWRXCOZLAH-MRXNPFEDSA-N 2 2 325.428 1.249 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000855415331 595704420 /nfs/dbraw/zinc/70/44/20/595704420.db2.gz VHLWSWRXCOZLAH-MRXNPFEDSA-N 2 2 325.428 1.249 20 0 EDADLP Cn1ccnc1[C@@](O)(CC[NH2+]Cc1c[nH+]c2n1CCC2)C(F)(F)F ZINC000850071509 595733164 /nfs/dbraw/zinc/73/31/64/595733164.db2.gz SJRRLHACCGQUKI-AWEZNQCLSA-N 2 2 343.353 1.493 20 0 EDADLP NC(=[NH+]OC[C@@H]1COCCO1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000853659196 595849047 /nfs/dbraw/zinc/84/90/47/595849047.db2.gz TYKIEVYMPZBFCG-KRWDZBQOSA-N 2 2 333.432 1.934 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851669533 595877941 /nfs/dbraw/zinc/87/79/41/595877941.db2.gz YNRBBFZNVFVMME-CYBMUJFWSA-N 2 2 339.390 1.478 20 0 EDADLP C[C@@H]1C[N@H+](CC[C@H]2COC(C)(C)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000851882737 595961834 /nfs/dbraw/zinc/96/18/34/595961834.db2.gz FJPVDECLJDBAHS-IKGGRYGDSA-N 2 2 325.497 1.486 20 0 EDADLP C[C@@H]1C[N@@H+](CC[C@H]2COC(C)(C)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000851882737 595961835 /nfs/dbraw/zinc/96/18/35/595961835.db2.gz FJPVDECLJDBAHS-IKGGRYGDSA-N 2 2 325.497 1.486 20 0 EDADLP CCN1OC[C@@H]([N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584220 596020270 /nfs/dbraw/zinc/02/02/70/596020270.db2.gz FIIKWGQKVNXYQO-DLBZAZTESA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@@H]([N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584220 596020273 /nfs/dbraw/zinc/02/02/73/596020273.db2.gz FIIKWGQKVNXYQO-DLBZAZTESA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@@H]([NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856584220 596020278 /nfs/dbraw/zinc/02/02/78/596020278.db2.gz FIIKWGQKVNXYQO-DLBZAZTESA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@@H]([NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856584220 596020283 /nfs/dbraw/zinc/02/02/83/596020283.db2.gz FIIKWGQKVNXYQO-DLBZAZTESA-N 2 2 348.447 1.149 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000852070463 596032918 /nfs/dbraw/zinc/03/29/18/596032918.db2.gz BSIWUXIIUVUOAE-CRAIPNDOSA-N 2 2 348.491 1.958 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000852070463 596032921 /nfs/dbraw/zinc/03/29/21/596032921.db2.gz BSIWUXIIUVUOAE-CRAIPNDOSA-N 2 2 348.491 1.958 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c21 ZINC000852363686 596136919 /nfs/dbraw/zinc/13/69/19/596136919.db2.gz SRYZSYZJORHZNH-HZPDHXFCSA-N 2 2 325.416 1.902 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c21 ZINC000852363686 596136921 /nfs/dbraw/zinc/13/69/21/596136921.db2.gz SRYZSYZJORHZNH-HZPDHXFCSA-N 2 2 325.416 1.902 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000854725945 596176407 /nfs/dbraw/zinc/17/64/07/596176407.db2.gz CWXMDXFKDGCNFQ-YJBOKZPZSA-N 2 2 341.471 1.522 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000854725945 596176409 /nfs/dbraw/zinc/17/64/09/596176409.db2.gz CWXMDXFKDGCNFQ-YJBOKZPZSA-N 2 2 341.471 1.522 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)nc2)CC12CCOCC2 ZINC000852748820 596237884 /nfs/dbraw/zinc/23/78/84/596237884.db2.gz FAPSPEADAVBCGM-LBPRGKRZSA-N 2 2 338.839 1.361 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)nc2)CC12CCOCC2 ZINC000852748820 596237885 /nfs/dbraw/zinc/23/78/85/596237885.db2.gz FAPSPEADAVBCGM-LBPRGKRZSA-N 2 2 338.839 1.361 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@H](O)Cc2ccccc2)nn1 ZINC000864645729 596295320 /nfs/dbraw/zinc/29/53/20/596295320.db2.gz JDWOTXIRQULPCJ-GOSISDBHSA-N 2 2 331.464 1.438 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@H](O)Cc2ccccc2)nn1 ZINC000864645729 596295321 /nfs/dbraw/zinc/29/53/21/596295321.db2.gz JDWOTXIRQULPCJ-GOSISDBHSA-N 2 2 331.464 1.438 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000864659208 596299733 /nfs/dbraw/zinc/29/97/33/596299733.db2.gz FPYLFUSDNXUUMH-XBXARRHUSA-N 2 2 343.471 1.609 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000864659208 596299735 /nfs/dbraw/zinc/29/97/35/596299735.db2.gz FPYLFUSDNXUUMH-XBXARRHUSA-N 2 2 343.471 1.609 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCN1C(=O)OC(C)(C)C ZINC000862531005 596340139 /nfs/dbraw/zinc/34/01/39/596340139.db2.gz ARMNJZKIMBBPQR-BZUAXINKSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]CC[N@H+]2CC[C@@H](O)C2)CCN1C(=O)OC(C)(C)C ZINC000862531005 596340140 /nfs/dbraw/zinc/34/01/40/596340140.db2.gz ARMNJZKIMBBPQR-BZUAXINKSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000869130154 596420275 /nfs/dbraw/zinc/42/02/75/596420275.db2.gz SVQWJPZFDDSHJO-BASYENTBSA-N 2 2 342.443 1.953 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@H]3CC[NH2+]C3)C2)c1 ZINC000870977077 596424206 /nfs/dbraw/zinc/42/42/06/596424206.db2.gz ATMYDAGTJBCJHD-SJLPKXTDSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@H]3CC[NH2+]C3)C2)c1 ZINC000870977077 596424209 /nfs/dbraw/zinc/42/42/09/596424209.db2.gz ATMYDAGTJBCJHD-SJLPKXTDSA-N 2 2 331.460 1.312 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000865060782 596459304 /nfs/dbraw/zinc/45/93/04/596459304.db2.gz SVGVLOABRGELIN-HOTGVXAUSA-N 2 2 326.400 1.670 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000865060782 596459307 /nfs/dbraw/zinc/45/93/07/596459307.db2.gz SVGVLOABRGELIN-HOTGVXAUSA-N 2 2 326.400 1.670 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=S)NC[C@H]3CCOC3)c2)CC1 ZINC000865254298 596525395 /nfs/dbraw/zinc/52/53/95/596525395.db2.gz WJWVELGKVVYJEL-CYBMUJFWSA-N 2 2 335.477 1.156 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=S)NCC(F)(F)F)c2)CC1 ZINC000865253657 596525414 /nfs/dbraw/zinc/52/54/14/596525414.db2.gz MBZMMMYKNYSGEN-UHFFFAOYSA-N 2 2 333.383 1.682 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549421 596614550 /nfs/dbraw/zinc/61/45/50/596614550.db2.gz CRFDUHSPHXBWRB-HONMWMINSA-N 2 2 347.419 1.265 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000863551134 596615571 /nfs/dbraw/zinc/61/55/71/596615571.db2.gz HRPTUSDKLDTZJL-UHFFFAOYSA-N 2 2 334.869 1.282 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000863551134 596615572 /nfs/dbraw/zinc/61/55/72/596615572.db2.gz HRPTUSDKLDTZJL-UHFFFAOYSA-N 2 2 334.869 1.282 20 0 EDADLP [NH3+][C@H]1CCc2ncc(NC(=O)Cc3cn4cc(F)ccc4[nH+]3)cc2C1 ZINC000867968399 596638191 /nfs/dbraw/zinc/63/81/91/596638191.db2.gz BSELPSCIIOUWTE-ZDUSSCGKSA-N 2 2 339.374 1.866 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000868019827 596656915 /nfs/dbraw/zinc/65/69/15/596656915.db2.gz DDEQYAWQTVAAAU-JKSUJKDBSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000868019827 596656920 /nfs/dbraw/zinc/65/69/20/596656920.db2.gz DDEQYAWQTVAAAU-JKSUJKDBSA-N 2 2 340.431 1.503 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)s1 ZINC000865779655 596681058 /nfs/dbraw/zinc/68/10/58/596681058.db2.gz LBODNDYZEDCLBP-ZDUSSCGKSA-N 2 2 325.478 1.880 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798923 596688731 /nfs/dbraw/zinc/68/87/31/596688731.db2.gz BLTSAXGEHAOHCI-VQTJNVASSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798923 596688733 /nfs/dbraw/zinc/68/87/33/596688733.db2.gz BLTSAXGEHAOHCI-VQTJNVASSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798923 596688734 /nfs/dbraw/zinc/68/87/34/596688734.db2.gz BLTSAXGEHAOHCI-VQTJNVASSA-N 2 2 347.503 1.506 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000865798923 596688736 /nfs/dbraw/zinc/68/87/36/596688736.db2.gz BLTSAXGEHAOHCI-VQTJNVASSA-N 2 2 347.503 1.506 20 0 EDADLP C[C@@H](c1cccc(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000868120332 596692960 /nfs/dbraw/zinc/69/29/60/596692960.db2.gz LPAOVZXVEKRPGP-DZKIICNBSA-N 2 2 332.448 1.939 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000868156173 596704770 /nfs/dbraw/zinc/70/47/70/596704770.db2.gz BFXUSUSZAOXTKX-MTCRFPMVSA-N 2 2 343.471 1.260 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000868156173 596704773 /nfs/dbraw/zinc/70/47/73/596704773.db2.gz BFXUSUSZAOXTKX-MTCRFPMVSA-N 2 2 343.471 1.260 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc(NCc2ccccc2)[nH+]cn1 ZINC000865882851 596709103 /nfs/dbraw/zinc/70/91/03/596709103.db2.gz ZZYVEILJDNCYCX-HZPDHXFCSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1cc(NCc2ccccc2)[nH+]cn1 ZINC000865882851 596709105 /nfs/dbraw/zinc/70/91/05/596709105.db2.gz ZZYVEILJDNCYCX-HZPDHXFCSA-N 2 2 341.459 1.980 20 0 EDADLP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000868177907 596712508 /nfs/dbraw/zinc/71/25/08/596712508.db2.gz ICMRAPABIQHHQQ-YESZJQIVSA-N 2 2 330.432 1.440 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)C1 ZINC000868284583 596764388 /nfs/dbraw/zinc/76/43/88/596764388.db2.gz COGQYWITMROGDS-NVXWUHKLSA-N 2 2 332.448 1.193 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)C1 ZINC000868284583 596764390 /nfs/dbraw/zinc/76/43/90/596764390.db2.gz COGQYWITMROGDS-NVXWUHKLSA-N 2 2 332.448 1.193 20 0 EDADLP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C1 ZINC000868284583 596764393 /nfs/dbraw/zinc/76/43/93/596764393.db2.gz COGQYWITMROGDS-NVXWUHKLSA-N 2 2 332.448 1.193 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)c1 ZINC000870157674 596779539 /nfs/dbraw/zinc/77/95/39/596779539.db2.gz KAJJQNHXXJFJQE-IBGZPJMESA-N 2 2 343.471 1.966 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)c1 ZINC000870157674 596779540 /nfs/dbraw/zinc/77/95/40/596779540.db2.gz KAJJQNHXXJFJQE-IBGZPJMESA-N 2 2 343.471 1.966 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149372 596812911 /nfs/dbraw/zinc/81/29/11/596812911.db2.gz VLDQZKPIAFRDAY-VHDGCEQUSA-N 2 2 343.393 1.803 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149372 596812912 /nfs/dbraw/zinc/81/29/12/596812912.db2.gz VLDQZKPIAFRDAY-VHDGCEQUSA-N 2 2 343.393 1.803 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000868382760 596814429 /nfs/dbraw/zinc/81/44/29/596814429.db2.gz KLHGNUBRYGFXCP-JKSUJKDBSA-N 2 2 349.523 1.033 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000868382760 596814431 /nfs/dbraw/zinc/81/44/31/596814431.db2.gz KLHGNUBRYGFXCP-JKSUJKDBSA-N 2 2 349.523 1.033 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CCN(C)c3[nH+]cccc3C2)C[N@@H+]1C1CC1 ZINC000868383506 596814555 /nfs/dbraw/zinc/81/45/55/596814555.db2.gz VJLZSGRYYUJSOK-DZGCQCFKSA-N 2 2 329.448 1.668 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CCN(C)c3[nH+]cccc3C2)C[N@H+]1C1CC1 ZINC000868383506 596814558 /nfs/dbraw/zinc/81/45/58/596814558.db2.gz VJLZSGRYYUJSOK-DZGCQCFKSA-N 2 2 329.448 1.668 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153433 596815076 /nfs/dbraw/zinc/81/50/76/596815076.db2.gz AEOBVPATXDLPKU-FUHIMQAGSA-N 2 2 342.487 1.265 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153433 596815078 /nfs/dbraw/zinc/81/50/78/596815078.db2.gz AEOBVPATXDLPKU-FUHIMQAGSA-N 2 2 342.487 1.265 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000872218498 596840743 /nfs/dbraw/zinc/84/07/43/596840743.db2.gz OVCUHJTTYFTURX-WFASDCNBSA-N 2 2 330.831 1.947 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000872218498 596840746 /nfs/dbraw/zinc/84/07/46/596840746.db2.gz OVCUHJTTYFTURX-WFASDCNBSA-N 2 2 330.831 1.947 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000866413952 596880013 /nfs/dbraw/zinc/88/00/13/596880013.db2.gz XJIHADMRBZWDPU-JSGCOSHPSA-N 2 2 333.432 1.513 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000866413952 596880017 /nfs/dbraw/zinc/88/00/17/596880017.db2.gz XJIHADMRBZWDPU-JSGCOSHPSA-N 2 2 333.432 1.513 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2[nH+]ccn21 ZINC000875644506 596931697 /nfs/dbraw/zinc/93/16/97/596931697.db2.gz GFHLZBSBZMILMT-FPCVCCKLSA-N 3 2 348.495 1.270 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Cl)no3)CC2)CC1 ZINC000874257457 596988927 /nfs/dbraw/zinc/98/89/27/596988927.db2.gz ZMRCHQZMFRJECB-UHFFFAOYSA-N 2 2 326.828 1.616 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876109633 597093726 /nfs/dbraw/zinc/09/37/26/597093726.db2.gz RGJAHIDEQSVQFX-HJOIGYKYSA-N 2 2 340.512 1.611 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(O)c(Cl)c1 ZINC000876399937 597193518 /nfs/dbraw/zinc/19/35/18/597193518.db2.gz UGYVJGGWDHNJKF-UHFFFAOYSA-N 2 2 342.871 1.728 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000874838902 597194124 /nfs/dbraw/zinc/19/41/24/597194124.db2.gz SKTLFBJPWRITFH-QRVBRYPASA-N 2 2 343.471 1.583 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000874838902 597194127 /nfs/dbraw/zinc/19/41/27/597194127.db2.gz SKTLFBJPWRITFH-QRVBRYPASA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000874838902 597194130 /nfs/dbraw/zinc/19/41/30/597194130.db2.gz SKTLFBJPWRITFH-QRVBRYPASA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000874838902 597194134 /nfs/dbraw/zinc/19/41/34/597194134.db2.gz SKTLFBJPWRITFH-QRVBRYPASA-N 2 2 343.471 1.583 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c(C)[nH+]1 ZINC000873105933 597196980 /nfs/dbraw/zinc/19/69/80/597196980.db2.gz CNOGGETZIARYBM-MNOVXSKESA-N 2 2 344.337 1.233 20 0 EDADLP COCCN(C)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cn1 ZINC000873227627 597234243 /nfs/dbraw/zinc/23/42/43/597234243.db2.gz JZCAGZURVOUETC-KGLIPLIRSA-N 2 2 346.397 1.733 20 0 EDADLP COCCN(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cn1 ZINC000873227627 597234245 /nfs/dbraw/zinc/23/42/45/597234245.db2.gz JZCAGZURVOUETC-KGLIPLIRSA-N 2 2 346.397 1.733 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3C[NH2+]2)CC[NH2+]CC1 ZINC000873296621 597250186 /nfs/dbraw/zinc/25/01/86/597250186.db2.gz KAMCZZQQHJFKRO-QAPCUYQASA-N 3 2 345.487 1.612 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1C(F)(F)F ZINC000873310390 597252772 /nfs/dbraw/zinc/25/27/72/597252772.db2.gz UTWDBTMPPMDRQC-ONGXEEELSA-N 2 2 327.310 1.935 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000875096148 597280008 /nfs/dbraw/zinc/28/00/08/597280008.db2.gz OUMXZRLFTKQWJC-MRXNPFEDSA-N 2 2 349.479 1.172 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000875096148 597280009 /nfs/dbraw/zinc/28/00/09/597280009.db2.gz OUMXZRLFTKQWJC-MRXNPFEDSA-N 2 2 349.479 1.172 20 0 EDADLP [NH3+][C@@H](C(=O)NCCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000876707663 597296351 /nfs/dbraw/zinc/29/63/51/597296351.db2.gz NMNCGPLSCHFKMT-CQSZACIVSA-N 2 2 345.365 1.544 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876709978 597297923 /nfs/dbraw/zinc/29/79/23/597297923.db2.gz CLTNDHPOUHNZNH-GVDBMIGSSA-N 2 2 331.460 1.377 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876709978 597297924 /nfs/dbraw/zinc/29/79/24/597297924.db2.gz CLTNDHPOUHNZNH-GVDBMIGSSA-N 2 2 331.460 1.377 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000875157660 597307784 /nfs/dbraw/zinc/30/77/84/597307784.db2.gz VLDICZMUJFCSFZ-KRWDZBQOSA-N 2 2 346.475 1.137 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000875157660 597307787 /nfs/dbraw/zinc/30/77/87/597307787.db2.gz VLDICZMUJFCSFZ-KRWDZBQOSA-N 2 2 346.475 1.137 20 0 EDADLP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875157660 597307791 /nfs/dbraw/zinc/30/77/91/597307791.db2.gz VLDICZMUJFCSFZ-KRWDZBQOSA-N 2 2 346.475 1.137 20 0 EDADLP CCCC[NH+](C)CCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875157660 597307795 /nfs/dbraw/zinc/30/77/95/597307795.db2.gz VLDICZMUJFCSFZ-KRWDZBQOSA-N 2 2 346.475 1.137 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000875301862 597376136 /nfs/dbraw/zinc/37/61/36/597376136.db2.gz GHXLUMYQVFLDKV-CVEARBPZSA-N 2 2 342.528 1.763 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000875301862 597376141 /nfs/dbraw/zinc/37/61/41/597376141.db2.gz GHXLUMYQVFLDKV-CVEARBPZSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)C(C)(F)F)CC1 ZINC000875428759 597425066 /nfs/dbraw/zinc/42/50/66/597425066.db2.gz RXENHIZWGSQUKD-UHFFFAOYSA-N 2 2 334.455 1.993 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@@H]1C(F)(F)F ZINC000877361639 597501468 /nfs/dbraw/zinc/50/14/68/597501468.db2.gz UDMQALPHMOMTHW-JQWIXIFHSA-N 2 2 326.322 1.472 20 0 EDADLP CC(C)(C)OC(=O)N1[C@@H](C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)COC1(C)C ZINC000877657673 597545491 /nfs/dbraw/zinc/54/54/91/597545491.db2.gz GTOINNCJEYDBPJ-UONOGXRCSA-N 2 2 343.468 1.015 20 0 EDADLP CC(C)(C)OC(=O)N1[C@@H](C[NH2+]CC[N@H+]2CC[C@@H](O)C2)COC1(C)C ZINC000877657673 597545492 /nfs/dbraw/zinc/54/54/92/597545492.db2.gz GTOINNCJEYDBPJ-UONOGXRCSA-N 2 2 343.468 1.015 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C[C@H]3C[C@@]3(C(=O)OC)C2)CC1 ZINC000877724701 597551365 /nfs/dbraw/zinc/55/13/65/597551365.db2.gz SRIFLLWQHCTBPN-JCKWVBRZSA-N 2 2 338.448 1.335 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)n(C)c1C ZINC000877746864 597552761 /nfs/dbraw/zinc/55/27/61/597552761.db2.gz ZUKXIKAHWVHAIR-UHFFFAOYSA-N 2 2 348.491 1.332 20 0 EDADLP Cc1cc(C)n2c(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)cnc2n1 ZINC000877747625 597552807 /nfs/dbraw/zinc/55/28/07/597552807.db2.gz VCPPHZGXNUCLEQ-UHFFFAOYSA-N 2 2 342.491 1.558 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)[nH]c1C ZINC000877747041 597552957 /nfs/dbraw/zinc/55/29/57/597552957.db2.gz SYRZZSWMUYHJPN-UHFFFAOYSA-N 2 2 334.464 1.322 20 0 EDADLP COc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](C)CC2)c(OC)c1 ZINC000877933932 597564841 /nfs/dbraw/zinc/56/48/41/597564841.db2.gz VUIWMUAVRUEFEA-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP COc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)c(OC)c1 ZINC000877933932 597564842 /nfs/dbraw/zinc/56/48/42/597564842.db2.gz VUIWMUAVRUEFEA-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000881439720 597619705 /nfs/dbraw/zinc/61/97/05/597619705.db2.gz QEJITNZERWWWSJ-KRWDZBQOSA-N 2 2 336.524 1.489 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000881439720 597619708 /nfs/dbraw/zinc/61/97/08/597619708.db2.gz QEJITNZERWWWSJ-KRWDZBQOSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578497 597640948 /nfs/dbraw/zinc/64/09/48/597640948.db2.gz TXGKMNBOGZNOIJ-LASHMREHSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578497 597640950 /nfs/dbraw/zinc/64/09/50/597640950.db2.gz TXGKMNBOGZNOIJ-LASHMREHSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578497 597640953 /nfs/dbraw/zinc/64/09/53/597640953.db2.gz TXGKMNBOGZNOIJ-LASHMREHSA-N 3 2 334.552 1.817 20 0 EDADLP C[C@H](CC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578497 597640955 /nfs/dbraw/zinc/64/09/55/597640955.db2.gz TXGKMNBOGZNOIJ-LASHMREHSA-N 3 2 334.552 1.817 20 0 EDADLP Cn1nc2c(c1C[N@H+](C)CCCN1CC[NH+](C)CC1)CSCC2 ZINC000883184962 597679784 /nfs/dbraw/zinc/67/97/84/597679784.db2.gz KCWABCWUVXAIPW-UHFFFAOYSA-N 2 2 337.537 1.279 20 0 EDADLP Cn1nc2c(c1C[N@@H+](C)CCCN1CC[NH+](C)CC1)CSCC2 ZINC000883184962 597679788 /nfs/dbraw/zinc/67/97/88/597679788.db2.gz KCWABCWUVXAIPW-UHFFFAOYSA-N 2 2 337.537 1.279 20 0 EDADLP CC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC(F)(F)C1 ZINC000883255230 597694910 /nfs/dbraw/zinc/69/49/10/597694910.db2.gz PBUYRDPDTGYHDE-UHFFFAOYSA-N 2 2 331.451 1.808 20 0 EDADLP CC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC(F)(F)C1 ZINC000883255230 597694911 /nfs/dbraw/zinc/69/49/11/597694911.db2.gz PBUYRDPDTGYHDE-UHFFFAOYSA-N 2 2 331.451 1.808 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCO1 ZINC000883271442 597697529 /nfs/dbraw/zinc/69/75/29/597697529.db2.gz MKLXNOWQFSHWCB-HOTGVXAUSA-N 2 2 347.463 1.022 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CCO1 ZINC000883271442 597697531 /nfs/dbraw/zinc/69/75/31/597697531.db2.gz MKLXNOWQFSHWCB-HOTGVXAUSA-N 2 2 347.463 1.022 20 0 EDADLP O=C1OCCN1[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878917897 597755327 /nfs/dbraw/zinc/75/53/27/597755327.db2.gz YOBXYPZMOIGZIY-MJGOQNOKSA-N 2 2 345.443 1.150 20 0 EDADLP O=C1OCCN1[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878917897 597755330 /nfs/dbraw/zinc/75/53/30/597755330.db2.gz YOBXYPZMOIGZIY-MJGOQNOKSA-N 2 2 345.443 1.150 20 0 EDADLP O=C1OCCN1[C@@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000878917897 597755334 /nfs/dbraw/zinc/75/53/34/597755334.db2.gz YOBXYPZMOIGZIY-MJGOQNOKSA-N 2 2 345.443 1.150 20 0 EDADLP O=C1OCCN1[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000878917897 597755339 /nfs/dbraw/zinc/75/53/39/597755339.db2.gz YOBXYPZMOIGZIY-MJGOQNOKSA-N 2 2 345.443 1.150 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC23CC[NH+](C)CC3)cc1 ZINC000878954762 597765923 /nfs/dbraw/zinc/76/59/23/597765923.db2.gz FMYIHPGBSOHEPX-GOSISDBHSA-N 2 2 343.471 1.966 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC23CC[NH+](C)CC3)cc1 ZINC000878954762 597765927 /nfs/dbraw/zinc/76/59/27/597765927.db2.gz FMYIHPGBSOHEPX-GOSISDBHSA-N 2 2 343.471 1.966 20 0 EDADLP [NH3+]C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000883574618 597808505 /nfs/dbraw/zinc/80/85/05/597808505.db2.gz KZHOLBWDHOUXPA-OLZOCXBDSA-N 2 2 341.337 1.813 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000879221279 597855293 /nfs/dbraw/zinc/85/52/93/597855293.db2.gz KECMNKMERUIMNS-RBSFLKMASA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000879221279 597855297 /nfs/dbraw/zinc/85/52/97/597855297.db2.gz KECMNKMERUIMNS-RBSFLKMASA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000880263507 597887127 /nfs/dbraw/zinc/88/71/27/597887127.db2.gz YQQGKHBYBITTKE-QAPCUYQASA-N 2 2 344.459 1.372 20 0 EDADLP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000880263507 597887129 /nfs/dbraw/zinc/88/71/29/597887129.db2.gz YQQGKHBYBITTKE-QAPCUYQASA-N 2 2 344.459 1.372 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCCOC1 ZINC000880463181 597939113 /nfs/dbraw/zinc/93/91/13/597939113.db2.gz OYXKXBYDTBMQPG-JKSUJKDBSA-N 2 2 341.496 1.008 20 0 EDADLP C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@H]1CCc2ccccc21 ZINC000029310628 597958378 /nfs/dbraw/zinc/95/83/78/597958378.db2.gz MCDXGOGYBVXZBF-INIZCTEOSA-N 2 2 342.443 1.579 20 0 EDADLP C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)[C@H]1CCc2ccccc21 ZINC000029310628 597958379 /nfs/dbraw/zinc/95/83/79/597958379.db2.gz MCDXGOGYBVXZBF-INIZCTEOSA-N 2 2 342.443 1.579 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571890 597967639 /nfs/dbraw/zinc/96/76/39/597967639.db2.gz VAQVQBRGOKEJGE-ZFWWWQNUSA-N 2 2 329.404 1.448 20 0 EDADLP C[C@@H](CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)Cn1cc[nH+]c1 ZINC000884196685 598023903 /nfs/dbraw/zinc/02/39/03/598023903.db2.gz XUWAXGWPGMTEHD-XJKSGUPXSA-N 2 2 325.416 1.687 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000884211995 598031135 /nfs/dbraw/zinc/03/11/35/598031135.db2.gz SSNHGNAPGQVINF-UHFFFAOYSA-N 2 2 335.448 1.125 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000884211995 598031139 /nfs/dbraw/zinc/03/11/39/598031139.db2.gz SSNHGNAPGQVINF-UHFFFAOYSA-N 2 2 335.448 1.125 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c[nH+]1 ZINC000884382040 598087046 /nfs/dbraw/zinc/08/70/46/598087046.db2.gz YRQCOFIEQADEAR-XHSDSOJGSA-N 2 2 334.464 1.672 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[NH2+]CC3(C)C)C2)cc1 ZINC000884470207 598114379 /nfs/dbraw/zinc/11/43/79/598114379.db2.gz IAXUKSFVKDWSJU-MSOLQXFVSA-N 2 2 345.487 1.558 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[NH2+]CC3(C)C)C2)cc1 ZINC000884470207 598114382 /nfs/dbraw/zinc/11/43/82/598114382.db2.gz IAXUKSFVKDWSJU-MSOLQXFVSA-N 2 2 345.487 1.558 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000914161163 695172821 /nfs/dbraw/zinc/17/28/21/695172821.db2.gz RYMYMNQSBOJNMU-GFCCVEGCSA-N 2 2 337.493 1.488 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000914161163 695172823 /nfs/dbraw/zinc/17/28/23/695172823.db2.gz RYMYMNQSBOJNMU-GFCCVEGCSA-N 2 2 337.493 1.488 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@H]2C1 ZINC000992758740 695289310 /nfs/dbraw/zinc/28/93/10/695289310.db2.gz SNPVOODRTXZZEZ-ULQDDVLXSA-N 2 2 330.476 1.979 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c1 ZINC000939856210 699994663 /nfs/dbraw/zinc/99/46/63/699994663.db2.gz KQJNDMGGCGXCOS-YOEHRIQHSA-N 2 2 328.416 1.528 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCc1c(F)cccc1F ZINC000939858297 699997330 /nfs/dbraw/zinc/99/73/30/699997330.db2.gz XUKPTNTUPVBRLG-CXAGYDPISA-N 2 2 348.397 1.841 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3ccc4ncccc4c3)C2)C1 ZINC001031252431 696015514 /nfs/dbraw/zinc/01/55/14/696015514.db2.gz GHQOCUYZSMWTIW-MRXNPFEDSA-N 2 2 338.455 1.877 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3ccc4ncccc4c3)C2)C1 ZINC001031252431 696015520 /nfs/dbraw/zinc/01/55/20/696015520.db2.gz GHQOCUYZSMWTIW-MRXNPFEDSA-N 2 2 338.455 1.877 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2C[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC001031254025 696025605 /nfs/dbraw/zinc/02/56/05/696025605.db2.gz NHNYGORUEHLJNR-HKUYNNGSSA-N 2 2 345.487 1.600 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2conc2C)[C@H]1C ZINC000993610248 696257052 /nfs/dbraw/zinc/25/70/52/696257052.db2.gz FHYXBBIZBVYNKG-GOEBONIOSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2conc2C)[C@H]1C ZINC000993610248 696257053 /nfs/dbraw/zinc/25/70/53/696257053.db2.gz FHYXBBIZBVYNKG-GOEBONIOSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)n(C)n2)[C@@H]1C ZINC000993611720 696258590 /nfs/dbraw/zinc/25/85/90/696258590.db2.gz HQRZVHDANHBMEY-NVXWUHKLSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)n(C)n2)[C@@H]1C ZINC000993611720 696258591 /nfs/dbraw/zinc/25/85/91/696258591.db2.gz HQRZVHDANHBMEY-NVXWUHKLSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)s1 ZINC000994207896 696581039 /nfs/dbraw/zinc/58/10/39/696581039.db2.gz KMNGJVUUPXYDHF-MLGOLLRUSA-N 2 2 347.488 1.897 20 0 EDADLP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)s1 ZINC000994207896 696581042 /nfs/dbraw/zinc/58/10/42/696581042.db2.gz KMNGJVUUPXYDHF-MLGOLLRUSA-N 2 2 347.488 1.897 20 0 EDADLP Cc1conc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994236829 696597569 /nfs/dbraw/zinc/59/75/69/696597569.db2.gz ABSFMPJAQUZZHM-HUUCEWRRSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1conc1C[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994236829 696597570 /nfs/dbraw/zinc/59/75/70/696597570.db2.gz ABSFMPJAQUZZHM-HUUCEWRRSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994407416 696831078 /nfs/dbraw/zinc/83/10/78/696831078.db2.gz LQDNILOLTPTITO-WMLDXEAASA-N 2 2 334.464 1.856 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994407416 696831082 /nfs/dbraw/zinc/83/10/82/696831082.db2.gz LQDNILOLTPTITO-WMLDXEAASA-N 2 2 334.464 1.856 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000917634013 697055910 /nfs/dbraw/zinc/05/59/10/697055910.db2.gz IDKQVHCAPFWOCT-HUUCEWRRSA-N 2 2 332.452 1.066 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)NC[C@H]3CC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000917634013 697055913 /nfs/dbraw/zinc/05/59/13/697055913.db2.gz IDKQVHCAPFWOCT-HUUCEWRRSA-N 2 2 332.452 1.066 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000920117969 697398704 /nfs/dbraw/zinc/39/87/04/697398704.db2.gz NHPVFMPCUZGUJY-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000920117969 697398707 /nfs/dbraw/zinc/39/87/07/697398707.db2.gz NHPVFMPCUZGUJY-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000920117969 697398709 /nfs/dbraw/zinc/39/87/09/697398709.db2.gz NHPVFMPCUZGUJY-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000920117969 697398710 /nfs/dbraw/zinc/39/87/10/697398710.db2.gz NHPVFMPCUZGUJY-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001031665920 697446946 /nfs/dbraw/zinc/44/69/46/697446946.db2.gz JBMQTQPLOJSNRP-KRWDZBQOSA-N 2 2 334.439 1.642 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001031665920 697446947 /nfs/dbraw/zinc/44/69/47/697446947.db2.gz JBMQTQPLOJSNRP-KRWDZBQOSA-N 2 2 334.439 1.642 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001031674337 697482752 /nfs/dbraw/zinc/48/27/52/697482752.db2.gz IIUFSPVWKSWFAB-YOEHRIQHSA-N 2 2 343.475 1.236 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cc(F)cc(F)c3)C2)CC[N@@H+]1C ZINC001031682286 697503562 /nfs/dbraw/zinc/50/35/62/697503562.db2.gz DFCZUVOUZGPFOQ-SJKOYZFVSA-N 2 2 337.414 1.853 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cc(F)cc(F)c3)C2)CC[N@H+]1C ZINC001031682286 697503564 /nfs/dbraw/zinc/50/35/64/697503564.db2.gz DFCZUVOUZGPFOQ-SJKOYZFVSA-N 2 2 337.414 1.853 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3cnccn3)C2)CC[N@@H+]1C ZINC001031684610 697511894 /nfs/dbraw/zinc/51/18/94/697511894.db2.gz UUOHTJHOQJLPGZ-JLJPHGGASA-N 2 2 331.464 1.316 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3cnccn3)C2)CC[N@H+]1C ZINC001031684610 697511895 /nfs/dbraw/zinc/51/18/95/697511895.db2.gz UUOHTJHOQJLPGZ-JLJPHGGASA-N 2 2 331.464 1.316 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000921388341 697587822 /nfs/dbraw/zinc/58/78/22/697587822.db2.gz GFGAMYUBZQHQCT-GJZGRUSLSA-N 2 2 328.501 1.373 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000921427164 697603582 /nfs/dbraw/zinc/60/35/82/697603582.db2.gz YXZIVXATCOIMIW-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000921427164 697603585 /nfs/dbraw/zinc/60/35/85/697603585.db2.gz YXZIVXATCOIMIW-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001031713607 697733992 /nfs/dbraw/zinc/73/39/92/697733992.db2.gz CNKSQVSJUAFYGF-WMLDXEAASA-N 2 2 331.464 1.460 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001031713607 697733994 /nfs/dbraw/zinc/73/39/94/697733994.db2.gz CNKSQVSJUAFYGF-WMLDXEAASA-N 2 2 331.464 1.460 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)cn2)C1 ZINC001031714420 697741610 /nfs/dbraw/zinc/74/16/10/697741610.db2.gz IIGQAEMXBCVDAH-KRWDZBQOSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)no1 ZINC000940081785 700176135 /nfs/dbraw/zinc/17/61/35/700176135.db2.gz NSOOMZCJIMQIQB-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP CC1([NH2+]C[C@H]2CCCOC2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083693 700177984 /nfs/dbraw/zinc/17/79/84/700177984.db2.gz SNOUGVYHRHHNAH-OAHLLOKOSA-N 2 2 334.464 1.740 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c(C)o1 ZINC000995152368 701549777 /nfs/dbraw/zinc/54/97/77/701549777.db2.gz LLEORXIIPJNCQZ-KGLIPLIRSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2csnn2)C1 ZINC000995040590 700242166 /nfs/dbraw/zinc/24/21/66/700242166.db2.gz XJRQNXSRSBMBSG-QWHCGFSZSA-N 2 2 334.449 1.118 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000995152675 701550762 /nfs/dbraw/zinc/55/07/62/701550762.db2.gz MLZFATDCBXHQGB-KBPBESRZSA-N 2 2 345.451 1.199 20 0 EDADLP CCn1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000995152634 701550890 /nfs/dbraw/zinc/55/08/90/701550890.db2.gz MEWHLHQRXWCYKG-KGLIPLIRSA-N 2 2 330.436 1.243 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000943879277 698985383 /nfs/dbraw/zinc/98/53/83/698985383.db2.gz UPBJUJSURMKVJU-PBHICJAKSA-N 2 2 328.416 1.305 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000943879277 698985385 /nfs/dbraw/zinc/98/53/85/698985385.db2.gz UPBJUJSURMKVJU-PBHICJAKSA-N 2 2 328.416 1.305 20 0 EDADLP CCc1onc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154213 701556023 /nfs/dbraw/zinc/55/60/23/701556023.db2.gz RNOCAARHAISPDT-KBPBESRZSA-N 2 2 345.447 1.886 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000995153028 701558235 /nfs/dbraw/zinc/55/82/35/701558235.db2.gz OCOQBAXVAUBILE-KGLIPLIRSA-N 2 2 342.447 1.170 20 0 EDADLP CCCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044610 699088656 /nfs/dbraw/zinc/08/86/56/699088656.db2.gz MPXMAOXUZXRELF-IRXDYDNUSA-N 2 2 325.497 1.868 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031774212 699143730 /nfs/dbraw/zinc/14/37/30/699143730.db2.gz RWBMMEAZGBUOSX-MRXNPFEDSA-N 2 2 342.443 1.860 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031774212 699143732 /nfs/dbraw/zinc/14/37/32/699143732.db2.gz RWBMMEAZGBUOSX-MRXNPFEDSA-N 2 2 342.443 1.860 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnon2)C1 ZINC000939246709 699416386 /nfs/dbraw/zinc/41/63/86/699416386.db2.gz IQIINOSFGGSDOT-UKRRQHHQSA-N 2 2 346.435 1.416 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)o1 ZINC000939257199 699434365 /nfs/dbraw/zinc/43/43/65/699434365.db2.gz KUSWDEFCNIDQAK-WFASDCNBSA-N 2 2 335.452 1.046 20 0 EDADLP COc1ncccc1C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031813273 699493287 /nfs/dbraw/zinc/49/32/87/699493287.db2.gz SIYVSEXQNWAJOT-UHFFFAOYSA-N 2 2 344.459 1.267 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1csnn1 ZINC000939399012 699548259 /nfs/dbraw/zinc/54/82/59/699548259.db2.gz USJPGXFBMQYSNY-UKRRQHHQSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939410126 699564441 /nfs/dbraw/zinc/56/44/41/699564441.db2.gz XZHRPVCENNAKAB-AAEUAGOBSA-N 2 2 333.823 1.637 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)sn1 ZINC000939533968 699672123 /nfs/dbraw/zinc/67/21/23/699672123.db2.gz HFUMUQYCUVEJCX-XHDPSFHLSA-N 2 2 333.461 1.364 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)c(C)s1 ZINC000939535628 699676541 /nfs/dbraw/zinc/67/65/41/699676541.db2.gz RALWYXZFSOPLPY-ZBEGNZNMSA-N 2 2 347.488 1.673 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)cc1 ZINC000939622862 699760003 /nfs/dbraw/zinc/76/00/03/699760003.db2.gz OQVIMHJTGOBJBR-UGSOOPFHSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)sc1C ZINC000939624391 699762222 /nfs/dbraw/zinc/76/22/22/699762222.db2.gz XMNGZPBMPQDZRS-MEBBXXQBSA-N 2 2 347.488 1.971 20 0 EDADLP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939643886 699784094 /nfs/dbraw/zinc/78/40/94/699784094.db2.gz XUFWACGETSSAHP-IUODEOHRSA-N 2 2 347.488 1.754 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC000939760324 699913191 /nfs/dbraw/zinc/91/31/91/699913191.db2.gz VFVPEOHHHUFJJL-KBPBESRZSA-N 2 2 349.479 1.399 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)O1 ZINC000940144384 700273419 /nfs/dbraw/zinc/27/34/19/700273419.db2.gz HXZFKNYKZCRQSH-HOCLYGCPSA-N 2 2 334.464 1.881 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)O1 ZINC000940144384 700273420 /nfs/dbraw/zinc/27/34/20/700273420.db2.gz HXZFKNYKZCRQSH-HOCLYGCPSA-N 2 2 334.464 1.881 20 0 EDADLP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000940183180 700340268 /nfs/dbraw/zinc/34/02/68/700340268.db2.gz RQPHDVJMZPHCDR-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968412 701651742 /nfs/dbraw/zinc/65/17/42/701651742.db2.gz VRECYOQQXMBFLA-HUUCEWRRSA-N 2 2 332.448 1.447 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940426175 700619520 /nfs/dbraw/zinc/61/95/20/700619520.db2.gz IDTUVBJDZRMLOY-UHFFFAOYSA-N 2 2 327.432 1.529 20 0 EDADLP CC(C)n1cc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC000940482906 700671068 /nfs/dbraw/zinc/67/10/68/700671068.db2.gz ZEOCDEKKIPMHHE-UHFFFAOYSA-N 2 2 345.451 1.226 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCOC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968474 701661134 /nfs/dbraw/zinc/66/11/34/701661134.db2.gz XXBNXYRBDSBPOR-UKRRQHHQSA-N 2 2 332.448 1.304 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2nccs2)CC1(C)C ZINC000940621845 700783509 /nfs/dbraw/zinc/78/35/09/700783509.db2.gz WBTJJPZGBFZQNU-ZIAGYGMSSA-N 2 2 336.505 1.954 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2nccs2)CC1(C)C ZINC000940621845 700783511 /nfs/dbraw/zinc/78/35/11/700783511.db2.gz WBTJJPZGBFZQNU-ZIAGYGMSSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2nccs2)CC1(C)C ZINC000940621845 700783512 /nfs/dbraw/zinc/78/35/12/700783512.db2.gz WBTJJPZGBFZQNU-ZIAGYGMSSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2nccs2)CC1(C)C ZINC000940621845 700783513 /nfs/dbraw/zinc/78/35/13/700783513.db2.gz WBTJJPZGBFZQNU-ZIAGYGMSSA-N 2 2 336.505 1.954 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C/C=C\Cl)CC2(C)C)C1 ZINC000940647513 700809825 /nfs/dbraw/zinc/80/98/25/700809825.db2.gz QFGMZFDMNRZCHE-PSVOHZHUSA-N 2 2 329.872 1.286 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](C/C=C\Cl)CC2(C)C)C1 ZINC000940647513 700809828 /nfs/dbraw/zinc/80/98/28/700809828.db2.gz QFGMZFDMNRZCHE-PSVOHZHUSA-N 2 2 329.872 1.286 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C/C=C\Cl)CC2(C)C)C1 ZINC000940647513 700809831 /nfs/dbraw/zinc/80/98/31/700809831.db2.gz QFGMZFDMNRZCHE-PSVOHZHUSA-N 2 2 329.872 1.286 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C/C=C\Cl)CC2(C)C)C1 ZINC000940647513 700809833 /nfs/dbraw/zinc/80/98/33/700809833.db2.gz QFGMZFDMNRZCHE-PSVOHZHUSA-N 2 2 329.872 1.286 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842488 700938658 /nfs/dbraw/zinc/93/86/58/700938658.db2.gz IEJFHNMLMMKADW-HZPDHXFCSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842488 700938659 /nfs/dbraw/zinc/93/86/59/700938659.db2.gz IEJFHNMLMMKADW-HZPDHXFCSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842488 700938660 /nfs/dbraw/zinc/93/86/60/700938660.db2.gz IEJFHNMLMMKADW-HZPDHXFCSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842488 700938661 /nfs/dbraw/zinc/93/86/61/700938661.db2.gz IEJFHNMLMMKADW-HZPDHXFCSA-N 2 2 349.479 1.579 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCF)CC2(C)C)C1 ZINC000940972650 701014977 /nfs/dbraw/zinc/01/49/77/701014977.db2.gz OTWAHODRTSKTAC-HUUCEWRRSA-N 2 2 329.460 1.282 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCF)CC2(C)C)C1 ZINC000940972650 701014979 /nfs/dbraw/zinc/01/49/79/701014979.db2.gz OTWAHODRTSKTAC-HUUCEWRRSA-N 2 2 329.460 1.282 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCF)CC2(C)C)C1 ZINC000940972650 701014981 /nfs/dbraw/zinc/01/49/81/701014981.db2.gz OTWAHODRTSKTAC-HUUCEWRRSA-N 2 2 329.460 1.282 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCF)CC2(C)C)C1 ZINC000940972650 701014982 /nfs/dbraw/zinc/01/49/82/701014982.db2.gz OTWAHODRTSKTAC-HUUCEWRRSA-N 2 2 329.460 1.282 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cs1 ZINC000995114411 701042874 /nfs/dbraw/zinc/04/28/74/701042874.db2.gz HZRIBPKMWWJRHW-STQMWFEESA-N 2 2 333.461 1.792 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995116430 701052927 /nfs/dbraw/zinc/05/29/27/701052927.db2.gz NIFCRECFKOKXHE-HOCLYGCPSA-N 2 2 327.432 1.730 20 0 EDADLP CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000941141667 701202149 /nfs/dbraw/zinc/20/21/49/701202149.db2.gz HFKKCZZSIHBBTQ-INIZCTEOSA-N 2 2 343.431 1.090 20 0 EDADLP CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000941141667 701202152 /nfs/dbraw/zinc/20/21/52/701202152.db2.gz HFKKCZZSIHBBTQ-INIZCTEOSA-N 2 2 343.431 1.090 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)no1 ZINC000941166265 701377223 /nfs/dbraw/zinc/37/72/23/701377223.db2.gz DYALKYVJNFKZHF-MRXNPFEDSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)no1 ZINC000941166265 701377224 /nfs/dbraw/zinc/37/72/24/701377224.db2.gz DYALKYVJNFKZHF-MRXNPFEDSA-N 2 2 346.475 1.796 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217151 701403361 /nfs/dbraw/zinc/40/33/61/701403361.db2.gz KGOGXSXOBJBKLQ-HOTGVXAUSA-N 2 2 347.507 1.571 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217151 701403362 /nfs/dbraw/zinc/40/33/62/701403362.db2.gz KGOGXSXOBJBKLQ-HOTGVXAUSA-N 2 2 347.507 1.571 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217151 701403363 /nfs/dbraw/zinc/40/33/63/701403363.db2.gz KGOGXSXOBJBKLQ-HOTGVXAUSA-N 2 2 347.507 1.571 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217151 701403364 /nfs/dbraw/zinc/40/33/64/701403364.db2.gz KGOGXSXOBJBKLQ-HOTGVXAUSA-N 2 2 347.507 1.571 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217624 701404055 /nfs/dbraw/zinc/40/40/55/701404055.db2.gz QXBIDZYJAYXHTL-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217624 701404056 /nfs/dbraw/zinc/40/40/56/701404056.db2.gz QXBIDZYJAYXHTL-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941217624 701404057 /nfs/dbraw/zinc/40/40/57/701404057.db2.gz QXBIDZYJAYXHTL-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941217624 701404058 /nfs/dbraw/zinc/40/40/58/701404058.db2.gz QXBIDZYJAYXHTL-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000995172231 701709897 /nfs/dbraw/zinc/70/98/97/701709897.db2.gz YMPBMSCLDKUNFY-CHWSQXEVSA-N 2 2 333.461 1.494 20 0 EDADLP CCc1nocc1C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995740586 701927966 /nfs/dbraw/zinc/92/79/66/701927966.db2.gz XVGOPUHYKTWCHZ-HNNXBMFYSA-N 2 2 345.447 1.920 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C)c1cnccn1 ZINC000995744527 701954380 /nfs/dbraw/zinc/95/43/80/701954380.db2.gz HOEQGUXTRKLTJN-UKRRQHHQSA-N 2 2 342.447 1.720 20 0 EDADLP CCc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC000995180709 701997220 /nfs/dbraw/zinc/99/72/20/701997220.db2.gz FVGQLFWQWHWVOW-UONOGXRCSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000995182661 702086066 /nfs/dbraw/zinc/08/60/66/702086066.db2.gz JMWAWEAQQFSHTB-QWHCGFSZSA-N 2 2 333.461 1.792 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC000995185316 702122685 /nfs/dbraw/zinc/12/26/85/702122685.db2.gz NGZPUTRZSDUKRV-KGLIPLIRSA-N 2 2 331.420 1.632 20 0 EDADLP CCc1nocc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995187200 702174548 /nfs/dbraw/zinc/17/45/48/702174548.db2.gz RFNHBBLGJWQLMZ-HIFRSBDPSA-N 2 2 345.447 1.886 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995878317 702183908 /nfs/dbraw/zinc/18/39/08/702183908.db2.gz FDJCTRVMXSLBRQ-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995878317 702183911 /nfs/dbraw/zinc/18/39/11/702183911.db2.gz FDJCTRVMXSLBRQ-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP C[C@@H]1C[N@H+](CCC(F)(F)F)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097069 702261007 /nfs/dbraw/zinc/26/10/07/702261007.db2.gz CUUCPWSBFXQSMT-YPMHNXCESA-N 2 2 332.370 1.742 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(F)(F)F)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097069 702261009 /nfs/dbraw/zinc/26/10/09/702261009.db2.gz CUUCPWSBFXQSMT-YPMHNXCESA-N 2 2 332.370 1.742 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)o1 ZINC000944097236 702261781 /nfs/dbraw/zinc/26/17/81/702261781.db2.gz FGMHOMFIQJJQHF-MLGOLLRUSA-N 2 2 345.447 1.594 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)o1 ZINC000944097236 702261783 /nfs/dbraw/zinc/26/17/83/702261783.db2.gz FGMHOMFIQJJQHF-MLGOLLRUSA-N 2 2 345.447 1.594 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944098004 702265373 /nfs/dbraw/zinc/26/53/73/702265373.db2.gz MAYDXKFQBYYFAL-DOMZBBRYSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944098004 702265375 /nfs/dbraw/zinc/26/53/75/702265375.db2.gz MAYDXKFQBYYFAL-DOMZBBRYSA-N 2 2 331.420 1.286 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032185804 702308723 /nfs/dbraw/zinc/30/87/23/702308723.db2.gz CGOMMTNKBSJNCF-ZBFHGGJFSA-N 2 2 344.459 1.013 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032185804 702308729 /nfs/dbraw/zinc/30/87/29/702308729.db2.gz CGOMMTNKBSJNCF-ZBFHGGJFSA-N 2 2 344.459 1.013 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)o1 ZINC000995964543 702309168 /nfs/dbraw/zinc/30/91/68/702309168.db2.gz BENCGURZJKKCSN-ZIAGYGMSSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995964543 702309173 /nfs/dbraw/zinc/30/91/73/702309173.db2.gz BENCGURZJKKCSN-ZIAGYGMSSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCCO)C[C@H]3C)ccn12 ZINC000942053785 702478410 /nfs/dbraw/zinc/47/84/10/702478410.db2.gz UFGVAANCIVJILC-CJNGLKHVSA-N 2 2 330.432 1.465 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCCO)C[C@H]3C)ccn12 ZINC000942053785 702478416 /nfs/dbraw/zinc/47/84/16/702478416.db2.gz UFGVAANCIVJILC-CJNGLKHVSA-N 2 2 330.432 1.465 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCCO)C[C@@H]3C)ccn12 ZINC000942053784 702478436 /nfs/dbraw/zinc/47/84/36/702478436.db2.gz UFGVAANCIVJILC-BBRMVZONSA-N 2 2 330.432 1.465 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCCO)C[C@@H]3C)ccn12 ZINC000942053784 702478443 /nfs/dbraw/zinc/47/84/43/702478443.db2.gz UFGVAANCIVJILC-BBRMVZONSA-N 2 2 330.432 1.465 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC000995550025 702543729 /nfs/dbraw/zinc/54/37/29/702543729.db2.gz HBJJRHXCCJHLJD-KGLIPLIRSA-N 2 2 347.463 1.368 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC000995550025 702543734 /nfs/dbraw/zinc/54/37/34/702543734.db2.gz HBJJRHXCCJHLJD-KGLIPLIRSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)o1 ZINC000996299965 702691248 /nfs/dbraw/zinc/69/12/48/702691248.db2.gz HOWZQNNADWZYPP-DZGCQCFKSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)o1 ZINC000996299965 702691251 /nfs/dbraw/zinc/69/12/51/702691251.db2.gz HOWZQNNADWZYPP-DZGCQCFKSA-N 2 2 334.464 1.794 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000996354401 702732052 /nfs/dbraw/zinc/73/20/52/702732052.db2.gz HJXYAFPIIDALTO-HUUCEWRRSA-N 2 2 334.464 1.594 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996356238 702733737 /nfs/dbraw/zinc/73/37/37/702733737.db2.gz QYIUASSZKQJDPP-INIZCTEOSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)n1 ZINC000942256073 702747412 /nfs/dbraw/zinc/74/74/12/702747412.db2.gz COTZXOGESYRWFF-DZGCQCFKSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)n1 ZINC000942256073 702747415 /nfs/dbraw/zinc/74/74/15/702747415.db2.gz COTZXOGESYRWFF-DZGCQCFKSA-N 2 2 347.463 1.333 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)n1 ZINC000996463422 702791021 /nfs/dbraw/zinc/79/10/21/702791021.db2.gz WQEIPWTZLPELDU-AWEZNQCLSA-N 2 2 343.431 1.383 20 0 EDADLP COc1ccnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000995231285 702827867 /nfs/dbraw/zinc/82/78/67/702827867.db2.gz AOVHPGMTOVCUKE-HUUCEWRRSA-N 2 2 343.431 1.361 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996513161 702832416 /nfs/dbraw/zinc/83/24/16/702832416.db2.gz GMRBOOPGQFCVIW-MRXNPFEDSA-N 2 2 327.432 1.384 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996560680 702878928 /nfs/dbraw/zinc/87/89/28/702878928.db2.gz DHDYECFTOZDPMQ-OAHLLOKOSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)cs1 ZINC000996613563 702918550 /nfs/dbraw/zinc/91/85/50/702918550.db2.gz VSKNRJSJWKOPGQ-OAHLLOKOSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)oc1C ZINC000995243758 702931825 /nfs/dbraw/zinc/93/18/25/702931825.db2.gz SNFUBOIIPYZZJO-CABCVRRESA-N 2 2 331.420 1.563 20 0 EDADLP Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995243874 702932979 /nfs/dbraw/zinc/93/29/79/702932979.db2.gz TUEUQIPLNLNHNS-GJZGRUSLSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995243871 702933140 /nfs/dbraw/zinc/93/31/40/702933140.db2.gz TUEUQIPLNLNHNS-CABCVRRESA-N 2 2 331.420 1.563 20 0 EDADLP COc1ncccc1C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996650527 702940096 /nfs/dbraw/zinc/94/00/96/702940096.db2.gz JPKWAJATLKABLS-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP COc1ncccc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996650527 702940098 /nfs/dbraw/zinc/94/00/98/702940098.db2.gz JPKWAJATLKABLS-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)o1 ZINC000996674140 702971107 /nfs/dbraw/zinc/97/11/07/702971107.db2.gz AFAITNNWMYGDQE-AWEZNQCLSA-N 2 2 344.419 1.233 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996685617 702983669 /nfs/dbraw/zinc/98/36/69/702983669.db2.gz SZLKUWUCRVVTQN-ARFHVFGLSA-N 2 2 332.448 1.663 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996685617 702983670 /nfs/dbraw/zinc/98/36/70/702983670.db2.gz SZLKUWUCRVVTQN-ARFHVFGLSA-N 2 2 332.448 1.663 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc2nonc2c1 ZINC001032315428 702984022 /nfs/dbraw/zinc/98/40/22/702984022.db2.gz LRUDSLFJFKEAAQ-ZQIUZPCESA-N 2 2 341.415 1.102 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc2nonc2c1 ZINC001032315428 702984024 /nfs/dbraw/zinc/98/40/24/702984024.db2.gz LRUDSLFJFKEAAQ-ZQIUZPCESA-N 2 2 341.415 1.102 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2nonc2c1 ZINC001032315428 702984025 /nfs/dbraw/zinc/98/40/25/702984025.db2.gz LRUDSLFJFKEAAQ-ZQIUZPCESA-N 2 2 341.415 1.102 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2nonc2c1 ZINC001032315428 702984027 /nfs/dbraw/zinc/98/40/27/702984027.db2.gz LRUDSLFJFKEAAQ-ZQIUZPCESA-N 2 2 341.415 1.102 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)ncn1 ZINC000996686676 702993136 /nfs/dbraw/zinc/99/31/36/702993136.db2.gz ZRLHQEFZISENNL-HZPDHXFCSA-N 2 2 340.431 1.392 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)ncn1 ZINC000996686676 702993138 /nfs/dbraw/zinc/99/31/38/702993138.db2.gz ZRLHQEFZISENNL-HZPDHXFCSA-N 2 2 340.431 1.392 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996711109 703005916 /nfs/dbraw/zinc/00/59/16/703005916.db2.gz AZGCJNIYTQWRBM-INIZCTEOSA-N 2 2 345.447 1.769 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996718316 703012283 /nfs/dbraw/zinc/01/22/83/703012283.db2.gz XOLDPUQZSQKNLU-OAHLLOKOSA-N 2 2 328.420 1.008 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518161 703012828 /nfs/dbraw/zinc/01/28/28/703012828.db2.gz NHSFJKWJCKWUBM-LRDDRELGSA-N 2 2 340.387 1.358 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518161 703012829 /nfs/dbraw/zinc/01/28/29/703012829.db2.gz NHSFJKWJCKWUBM-LRDDRELGSA-N 2 2 340.387 1.358 20 0 EDADLP CC[C@H](C(=O)N1CCC([NH2+]Cc2noc(C(C)C)n2)CC1)[NH+](C)C ZINC000996720871 703014567 /nfs/dbraw/zinc/01/45/67/703014567.db2.gz VPIYMCXLGOVWRK-CQSZACIVSA-N 2 2 337.468 1.614 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC([NH2+]C[C@H]3CCOC3)CC1)C2 ZINC000996754955 703043862 /nfs/dbraw/zinc/04/38/62/703043862.db2.gz FGMQINAAXSXSFK-HUUCEWRRSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC([NH2+]C[C@H]3CCOC3)CC1)CC2 ZINC000996754955 703043865 /nfs/dbraw/zinc/04/38/65/703043865.db2.gz FGMQINAAXSXSFK-HUUCEWRRSA-N 2 2 346.475 1.440 20 0 EDADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C(F)(F)F ZINC000996845152 703121848 /nfs/dbraw/zinc/12/18/48/703121848.db2.gz HREJGAKEKSLEMC-STQMWFEESA-N 2 2 346.397 1.988 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996836712 703124346 /nfs/dbraw/zinc/12/43/46/703124346.db2.gz ZZYOUIHYAYXZJP-UHFFFAOYSA-N 2 2 345.422 1.668 20 0 EDADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C(F)(F)F ZINC000996855620 703133823 /nfs/dbraw/zinc/13/38/23/703133823.db2.gz IWUCROJHQFHYOA-YPMHNXCESA-N 2 2 332.370 1.599 20 0 EDADLP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996997124 703260365 /nfs/dbraw/zinc/26/03/65/703260365.db2.gz UESSVWZBPUQEQX-CYBMUJFWSA-N 2 2 344.419 1.302 20 0 EDADLP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nnsc2Cl)CC1)[NH+](C)C ZINC000997009984 703270673 /nfs/dbraw/zinc/27/06/73/703270673.db2.gz PZOVNLXNKXYWRH-LBPRGKRZSA-N 2 2 345.900 1.612 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000997041402 703291739 /nfs/dbraw/zinc/29/17/39/703291739.db2.gz JVZOEPLKAAMNBI-KRWDZBQOSA-N 2 2 334.464 1.474 20 0 EDADLP Cc1nc(CC[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cs1 ZINC000997042273 703292455 /nfs/dbraw/zinc/29/24/55/703292455.db2.gz OONZVYSKIITQKC-UHFFFAOYSA-N 2 2 333.461 1.540 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1)c1cnccn1 ZINC000997045313 703293916 /nfs/dbraw/zinc/29/39/16/703293916.db2.gz LLYSLFQEBOWJSX-LSDHHAIUSA-N 2 2 342.447 1.966 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997085135 703330570 /nfs/dbraw/zinc/33/05/70/703330570.db2.gz OZBIQNUMMPLEDL-AWEZNQCLSA-N 2 2 344.463 1.145 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997085135 703330571 /nfs/dbraw/zinc/33/05/71/703330571.db2.gz OZBIQNUMMPLEDL-AWEZNQCLSA-N 2 2 344.463 1.145 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000997086800 703332765 /nfs/dbraw/zinc/33/27/65/703332765.db2.gz VPYLXXWPMBRRMB-CYBMUJFWSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000997086800 703332768 /nfs/dbraw/zinc/33/27/68/703332768.db2.gz VPYLXXWPMBRRMB-CYBMUJFWSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1csc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC000997209368 703509100 /nfs/dbraw/zinc/50/91/00/703509100.db2.gz CHRODFSMYBYCNP-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000997286746 703549439 /nfs/dbraw/zinc/54/94/39/703549439.db2.gz IJHKSMZCUIDWLA-CYBMUJFWSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032442926 703619053 /nfs/dbraw/zinc/61/90/53/703619053.db2.gz JINXSBKWDIPXFQ-IRXDYDNUSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032442926 703619055 /nfs/dbraw/zinc/61/90/55/703619055.db2.gz JINXSBKWDIPXFQ-IRXDYDNUSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[N@H+]2C)o1 ZINC001032456207 703633984 /nfs/dbraw/zinc/63/39/84/703633984.db2.gz LNZXSOKVAQORBF-JYJNAYRXSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1ncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001032456207 703633985 /nfs/dbraw/zinc/63/39/85/703633985.db2.gz LNZXSOKVAQORBF-JYJNAYRXSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[NH+]2C)o1 ZINC001032456207 703633986 /nfs/dbraw/zinc/63/39/86/703633986.db2.gz LNZXSOKVAQORBF-JYJNAYRXSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[NH+]2C)o1 ZINC001032456207 703633987 /nfs/dbraw/zinc/63/39/87/703633987.db2.gz LNZXSOKVAQORBF-JYJNAYRXSA-N 2 2 332.448 1.643 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000997413315 703668414 /nfs/dbraw/zinc/66/84/14/703668414.db2.gz KHUDCPJRUFKQGX-UHFFFAOYSA-N 2 2 333.823 1.712 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032492924 703774094 /nfs/dbraw/zinc/77/40/94/703774094.db2.gz DQADRNDNJKBYJR-XYJFISCASA-N 2 2 345.491 1.326 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032492924 703774095 /nfs/dbraw/zinc/77/40/95/703774095.db2.gz DQADRNDNJKBYJR-XYJFISCASA-N 2 2 345.491 1.326 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C)sn1 ZINC000947929810 703869370 /nfs/dbraw/zinc/86/93/70/703869370.db2.gz OSUKGMFEDIEATF-UONOGXRCSA-N 2 2 347.488 1.897 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C)sn1 ZINC000947929810 703869372 /nfs/dbraw/zinc/86/93/72/703869372.db2.gz OSUKGMFEDIEATF-UONOGXRCSA-N 2 2 347.488 1.897 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997587937 703875949 /nfs/dbraw/zinc/87/59/49/703875949.db2.gz RCOJRCTUEUDHAR-YOEHRIQHSA-N 2 2 349.479 1.659 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997587937 703875951 /nfs/dbraw/zinc/87/59/51/703875951.db2.gz RCOJRCTUEUDHAR-YOEHRIQHSA-N 2 2 349.479 1.659 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC001004203562 703938762 /nfs/dbraw/zinc/93/87/62/703938762.db2.gz KWQHVJSOUOBOIJ-OKILXGFUSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC001004203562 703938768 /nfs/dbraw/zinc/93/87/68/703938768.db2.gz KWQHVJSOUOBOIJ-OKILXGFUSA-N 2 2 334.464 1.936 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997642138 703948760 /nfs/dbraw/zinc/94/87/60/703948760.db2.gz NUVWJXATAIHJNT-BBRMVZONSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997642138 703948764 /nfs/dbraw/zinc/94/87/64/703948764.db2.gz NUVWJXATAIHJNT-BBRMVZONSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997642140 703948908 /nfs/dbraw/zinc/94/89/08/703948908.db2.gz NUVWJXATAIHJNT-XJKSGUPXSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997642140 703948914 /nfs/dbraw/zinc/94/89/14/703948914.db2.gz NUVWJXATAIHJNT-XJKSGUPXSA-N 2 2 335.452 1.271 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032523424 703979467 /nfs/dbraw/zinc/97/94/67/703979467.db2.gz YAHOMODMOSHTCG-KKUMJFAQSA-N 2 2 332.448 1.082 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032523424 703979470 /nfs/dbraw/zinc/97/94/70/703979470.db2.gz YAHOMODMOSHTCG-KKUMJFAQSA-N 2 2 332.448 1.082 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC001004252924 704078275 /nfs/dbraw/zinc/07/82/75/704078275.db2.gz KNNJTPYDDLCQJC-KRWDZBQOSA-N 2 2 346.406 1.336 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033074399 704117526 /nfs/dbraw/zinc/11/75/26/704117526.db2.gz ZXIFSURBVJOSEM-DOTOQJQBSA-N 2 2 348.495 1.204 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033074399 704117529 /nfs/dbraw/zinc/11/75/29/704117529.db2.gz ZXIFSURBVJOSEM-DOTOQJQBSA-N 2 2 348.495 1.204 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033074399 704117530 /nfs/dbraw/zinc/11/75/30/704117530.db2.gz ZXIFSURBVJOSEM-DOTOQJQBSA-N 2 2 348.495 1.204 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033074399 704117532 /nfs/dbraw/zinc/11/75/32/704117532.db2.gz ZXIFSURBVJOSEM-DOTOQJQBSA-N 2 2 348.495 1.204 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033080135 704145246 /nfs/dbraw/zinc/14/52/46/704145246.db2.gz CYMSTSUMTRNOII-HZPDHXFCSA-N 2 2 348.516 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033080135 704145248 /nfs/dbraw/zinc/14/52/48/704145248.db2.gz CYMSTSUMTRNOII-HZPDHXFCSA-N 2 2 348.516 1.826 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944943438 704795863 /nfs/dbraw/zinc/79/58/63/704795863.db2.gz HXMRBXGWSVHJAQ-IUODEOHRSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944943438 704795865 /nfs/dbraw/zinc/79/58/65/704795865.db2.gz HXMRBXGWSVHJAQ-IUODEOHRSA-N 2 2 331.420 1.515 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997951424 705078162 /nfs/dbraw/zinc/07/81/62/705078162.db2.gz GDJOHRFXIASRHM-UHFFFAOYSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1ncccc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000998113774 705364349 /nfs/dbraw/zinc/36/43/49/705364349.db2.gz CPPJQVRJIJNFBS-UHFFFAOYSA-N 2 2 327.432 1.684 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998139986 705406671 /nfs/dbraw/zinc/40/66/71/705406671.db2.gz YDAHPXZHUQWLAP-OAHLLOKOSA-N 2 2 348.491 1.843 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998139986 705406673 /nfs/dbraw/zinc/40/66/73/705406673.db2.gz YDAHPXZHUQWLAP-OAHLLOKOSA-N 2 2 348.491 1.843 20 0 EDADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC000921505775 705447239 /nfs/dbraw/zinc/44/72/39/705447239.db2.gz BIPDKHBPVUUANX-HOTGVXAUSA-N 2 2 333.476 1.977 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CCO1 ZINC000998184384 705484377 /nfs/dbraw/zinc/48/43/77/705484377.db2.gz UEAXIIVMFPJRBP-ZBFHGGJFSA-N 2 2 334.464 1.596 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]C[C@@H]2CCCCO2)C1 ZINC000998987557 706419337 /nfs/dbraw/zinc/41/93/37/706419337.db2.gz ORPXPOVZOYIKAB-JCYILVPMSA-N 2 2 347.459 1.781 20 0 EDADLP Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999035036 706449593 /nfs/dbraw/zinc/44/95/93/706449593.db2.gz KEHUYTKFYSLZQV-MRXNPFEDSA-N 2 2 327.432 1.827 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000999111540 706538029 /nfs/dbraw/zinc/53/80/29/706538029.db2.gz VFISVPYSALHEIL-QQFBHYJXSA-N 2 2 342.443 1.954 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999468520 706977358 /nfs/dbraw/zinc/97/73/58/706977358.db2.gz GASJLGNNIXGHPZ-UHFFFAOYSA-N 2 2 333.823 1.780 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1)[NH+](C)C ZINC000999481136 706990146 /nfs/dbraw/zinc/99/01/46/706990146.db2.gz BJEBXIPHLUVENN-HUUCEWRRSA-N 2 2 349.479 1.758 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3nccs3)C2)no1 ZINC000999563543 707060105 /nfs/dbraw/zinc/06/01/05/707060105.db2.gz TWAADFCGFCCIQW-LBPRGKRZSA-N 2 2 349.460 1.587 20 0 EDADLP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000999605380 707070078 /nfs/dbraw/zinc/07/00/78/707070078.db2.gz KDAAWHJVAWFJJS-UHFFFAOYSA-N 2 2 333.461 1.805 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)n1 ZINC000999576863 707084088 /nfs/dbraw/zinc/08/40/88/707084088.db2.gz ZOVXJIPFHFIXNR-HZPDHXFCSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)n1 ZINC000999576863 707084090 /nfs/dbraw/zinc/08/40/90/707084090.db2.gz ZOVXJIPFHFIXNR-HZPDHXFCSA-N 2 2 349.479 1.579 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC000999681672 707166814 /nfs/dbraw/zinc/16/68/14/707166814.db2.gz KRQORFKWOAOESQ-OAHLLOKOSA-N 2 2 338.415 1.462 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC001033265371 707287993 /nfs/dbraw/zinc/28/79/93/707287993.db2.gz GRDLHRWKGVLCRH-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC001033265371 707287997 /nfs/dbraw/zinc/28/79/97/707287997.db2.gz GRDLHRWKGVLCRH-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC000999706423 707297079 /nfs/dbraw/zinc/29/70/79/707297079.db2.gz ACVPDCNQCYAXDX-OAHLLOKOSA-N 2 2 345.451 1.145 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999707219 707298191 /nfs/dbraw/zinc/29/81/91/707298191.db2.gz MLUGTEHFXUYJQQ-CYBMUJFWSA-N 2 2 342.428 1.580 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)cn1 ZINC000999774344 707333487 /nfs/dbraw/zinc/33/34/87/707333487.db2.gz GLLVAOSLCAXBBA-INIZCTEOSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)nn1C ZINC000999748611 707349598 /nfs/dbraw/zinc/34/95/98/707349598.db2.gz YWUGMAMZCQTGBO-UHFFFAOYSA-N 2 2 330.436 1.082 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC000999754126 707355464 /nfs/dbraw/zinc/35/54/64/707355464.db2.gz QHMBMRBZYYCTRT-UHFFFAOYSA-N 2 2 331.420 1.645 20 0 EDADLP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000999754517 707355982 /nfs/dbraw/zinc/35/59/82/707355982.db2.gz RVWRDIKOKVZSRL-UHFFFAOYSA-N 2 2 345.447 1.899 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3F)C2)O1 ZINC001033185807 707374173 /nfs/dbraw/zinc/37/41/73/707374173.db2.gz QOHVKUPPQLIYKB-UWWQBHOKSA-N 2 2 349.450 1.578 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3F)C2)O1 ZINC001033185807 707374178 /nfs/dbraw/zinc/37/41/78/707374178.db2.gz QOHVKUPPQLIYKB-UWWQBHOKSA-N 2 2 349.450 1.578 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3F)C2)O1 ZINC001033185807 707374186 /nfs/dbraw/zinc/37/41/86/707374186.db2.gz QOHVKUPPQLIYKB-UWWQBHOKSA-N 2 2 349.450 1.578 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3F)C2)O1 ZINC001033185807 707374192 /nfs/dbraw/zinc/37/41/92/707374192.db2.gz QOHVKUPPQLIYKB-UWWQBHOKSA-N 2 2 349.450 1.578 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC001033296495 707406001 /nfs/dbraw/zinc/40/60/01/707406001.db2.gz VQRMIWCLTSQQGR-WMZOPIPTSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC001033296495 707406002 /nfs/dbraw/zinc/40/60/02/707406002.db2.gz VQRMIWCLTSQQGR-WMZOPIPTSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001033197611 707417142 /nfs/dbraw/zinc/41/71/42/707417142.db2.gz IRIGZZFGYRBLSN-IRXDYDNUSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001033197611 707417144 /nfs/dbraw/zinc/41/71/44/707417144.db2.gz IRIGZZFGYRBLSN-IRXDYDNUSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001033197611 707417145 /nfs/dbraw/zinc/41/71/45/707417145.db2.gz IRIGZZFGYRBLSN-IRXDYDNUSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001033197611 707417147 /nfs/dbraw/zinc/41/71/47/707417147.db2.gz IRIGZZFGYRBLSN-IRXDYDNUSA-N 2 2 331.464 1.302 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946798316 707429822 /nfs/dbraw/zinc/42/98/22/707429822.db2.gz WTFQADSQGHMQPU-OKILXGFUSA-N 2 2 329.404 1.311 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]2CC1 ZINC000946798316 707429827 /nfs/dbraw/zinc/42/98/27/707429827.db2.gz WTFQADSQGHMQPU-OKILXGFUSA-N 2 2 329.404 1.311 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199366 707445545 /nfs/dbraw/zinc/44/55/45/707445545.db2.gz RGVLWFPIXRQALK-WBVHZDCISA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199366 707445547 /nfs/dbraw/zinc/44/55/47/707445547.db2.gz RGVLWFPIXRQALK-WBVHZDCISA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199366 707445549 /nfs/dbraw/zinc/44/55/49/707445549.db2.gz RGVLWFPIXRQALK-WBVHZDCISA-N 2 2 334.464 1.754 20 0 EDADLP CCc1nocc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033199366 707445551 /nfs/dbraw/zinc/44/55/51/707445551.db2.gz RGVLWFPIXRQALK-WBVHZDCISA-N 2 2 334.464 1.754 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](Cc3cscn3)C[C@H]2CC1 ZINC000946800556 707451780 /nfs/dbraw/zinc/45/17/80/707451780.db2.gz DYHRBXIQJFEIGK-OKILXGFUSA-N 2 2 345.472 1.779 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](Cc3cscn3)C[C@H]2CC1 ZINC000946800556 707451782 /nfs/dbraw/zinc/45/17/82/707451782.db2.gz DYHRBXIQJFEIGK-OKILXGFUSA-N 2 2 345.472 1.779 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999836610 707472447 /nfs/dbraw/zinc/47/24/47/707472447.db2.gz NDWLMAOOQFZSKS-MRXNPFEDSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1csnn1 ZINC001004902930 707592918 /nfs/dbraw/zinc/59/29/18/707592918.db2.gz RTDFAQBHUCHGBF-UKRRQHHQSA-N 2 2 348.476 1.602 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NC1(C2CC[NH+](Cc3cnon3)CC2)CC1 ZINC001000105361 707699764 /nfs/dbraw/zinc/69/97/64/707699764.db2.gz OGNRYASKBMZLIA-HNNXBMFYSA-N 2 2 333.436 1.025 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NC1(C2CC[NH+](Cc3cnon3)CC2)CC1 ZINC001000105361 707699766 /nfs/dbraw/zinc/69/97/66/707699766.db2.gz OGNRYASKBMZLIA-HNNXBMFYSA-N 2 2 333.436 1.025 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CCC1 ZINC001032731595 707733944 /nfs/dbraw/zinc/73/39/44/707733944.db2.gz IVKQUNGMIZGCPO-JYJNAYRXSA-N 2 2 346.475 1.788 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CCC1 ZINC001032731595 707733947 /nfs/dbraw/zinc/73/39/47/707733947.db2.gz IVKQUNGMIZGCPO-JYJNAYRXSA-N 2 2 346.475 1.788 20 0 EDADLP Cc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@@H+](C)C2)sn1 ZINC001032731857 707734571 /nfs/dbraw/zinc/73/45/71/707734571.db2.gz RJJTUGJYCUYCNJ-KKUMJFAQSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@H+](C)C2)sn1 ZINC001032731857 707734575 /nfs/dbraw/zinc/73/45/75/707734575.db2.gz RJJTUGJYCUYCNJ-KKUMJFAQSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)sn1 ZINC001032731857 707734579 /nfs/dbraw/zinc/73/45/79/707734579.db2.gz RJJTUGJYCUYCNJ-KKUMJFAQSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)sn1 ZINC001032731857 707734583 /nfs/dbraw/zinc/73/45/83/707734583.db2.gz RJJTUGJYCUYCNJ-KKUMJFAQSA-N 2 2 334.489 1.578 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033416058 707793413 /nfs/dbraw/zinc/79/34/13/707793413.db2.gz MUKRIMGSZLXLCU-WMLDXEAASA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033416058 707793416 /nfs/dbraw/zinc/79/34/16/707793416.db2.gz MUKRIMGSZLXLCU-WMLDXEAASA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033416058 707793420 /nfs/dbraw/zinc/79/34/20/707793420.db2.gz MUKRIMGSZLXLCU-WMLDXEAASA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033416058 707793424 /nfs/dbraw/zinc/79/34/24/707793424.db2.gz MUKRIMGSZLXLCU-WMLDXEAASA-N 2 2 334.439 1.738 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033425991 707846181 /nfs/dbraw/zinc/84/61/81/707846181.db2.gz MMQKPOGHISSDHS-HNNXBMFYSA-N 2 2 348.495 1.063 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033425991 707846185 /nfs/dbraw/zinc/84/61/85/707846185.db2.gz MMQKPOGHISSDHS-HNNXBMFYSA-N 2 2 348.495 1.063 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033425991 707846189 /nfs/dbraw/zinc/84/61/89/707846189.db2.gz MMQKPOGHISSDHS-HNNXBMFYSA-N 2 2 348.495 1.063 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033425991 707846193 /nfs/dbraw/zinc/84/61/93/707846193.db2.gz MMQKPOGHISSDHS-HNNXBMFYSA-N 2 2 348.495 1.063 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001004994542 707880986 /nfs/dbraw/zinc/88/09/86/707880986.db2.gz VNMYHPIRKJTDKY-RHSMWYFYSA-N 2 2 344.463 1.484 20 0 EDADLP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)cn1 ZINC001005008813 707924524 /nfs/dbraw/zinc/92/45/24/707924524.db2.gz JTKPUSLUNDWOFK-WMLDXEAASA-N 2 2 342.447 1.541 20 0 EDADLP Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)s1 ZINC001005010301 707927877 /nfs/dbraw/zinc/92/78/77/707927877.db2.gz PKQXDSKARGPJCA-OCCSQVGLSA-N 2 2 348.476 1.602 20 0 EDADLP C[C@@H]1Cc2cc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)ccc2O1 ZINC000921748299 707970452 /nfs/dbraw/zinc/97/04/52/707970452.db2.gz VFSCVRIINOSJGG-APWZRJJASA-N 2 2 345.487 1.506 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033530960 708153428 /nfs/dbraw/zinc/15/34/28/708153428.db2.gz IMHAUYVXWZVHDE-QGZVFWFLSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033530960 708153430 /nfs/dbraw/zinc/15/34/30/708153430.db2.gz IMHAUYVXWZVHDE-QGZVFWFLSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001033616598 708342725 /nfs/dbraw/zinc/34/27/25/708342725.db2.gz JMXMGWITKSYVAT-TZMCWYRMSA-N 2 2 342.390 1.218 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001033616598 708342728 /nfs/dbraw/zinc/34/27/28/708342728.db2.gz JMXMGWITKSYVAT-TZMCWYRMSA-N 2 2 342.390 1.218 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001033665084 708447459 /nfs/dbraw/zinc/44/74/59/708447459.db2.gz LKDMFAHRWOOCNC-HUUCEWRRSA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001033665084 708447462 /nfs/dbraw/zinc/44/74/62/708447462.db2.gz LKDMFAHRWOOCNC-HUUCEWRRSA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2noc3c2CCCC3)C1 ZINC001033665084 708447465 /nfs/dbraw/zinc/44/74/65/708447465.db2.gz LKDMFAHRWOOCNC-HUUCEWRRSA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2noc3c2CCCC3)C1 ZINC001033665084 708447469 /nfs/dbraw/zinc/44/74/69/708447469.db2.gz LKDMFAHRWOOCNC-HUUCEWRRSA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC001033704552 708533940 /nfs/dbraw/zinc/53/39/40/708533940.db2.gz WUTCJZGUTINUAK-HNNXBMFYSA-N 2 2 348.397 1.937 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C1 ZINC001033704552 708533942 /nfs/dbraw/zinc/53/39/42/708533942.db2.gz WUTCJZGUTINUAK-HNNXBMFYSA-N 2 2 348.397 1.937 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c(C)n1 ZINC001033707815 708540089 /nfs/dbraw/zinc/54/00/89/708540089.db2.gz VCIHGOOSMIZXJY-KRWDZBQOSA-N 2 2 327.432 1.628 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c(C)n1 ZINC001033707815 708540090 /nfs/dbraw/zinc/54/00/90/708540090.db2.gz VCIHGOOSMIZXJY-KRWDZBQOSA-N 2 2 327.432 1.628 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3nc(C4CC4)no3)CC2)C1 ZINC001002121224 708635120 /nfs/dbraw/zinc/63/51/20/708635120.db2.gz QPOUFZFVHXSDIC-OAHLLOKOSA-N 2 2 347.463 1.227 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3nc(C4CC4)no3)CC2)C1 ZINC001002121224 708635123 /nfs/dbraw/zinc/63/51/23/708635123.db2.gz QPOUFZFVHXSDIC-OAHLLOKOSA-N 2 2 347.463 1.227 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nc(C)no2)CC1 ZINC001002155977 708670489 /nfs/dbraw/zinc/67/04/89/708670489.db2.gz DWNDOWCZXWYXBI-MRXNPFEDSA-N 2 2 349.479 1.581 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nc(C)no2)CC1 ZINC001002155977 708670493 /nfs/dbraw/zinc/67/04/93/708670493.db2.gz DWNDOWCZXWYXBI-MRXNPFEDSA-N 2 2 349.479 1.581 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033777014 708703961 /nfs/dbraw/zinc/70/39/61/708703961.db2.gz SECRWPNZLNDOGL-ZFWWWQNUSA-N 2 2 336.436 1.200 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033777014 708703962 /nfs/dbraw/zinc/70/39/62/708703962.db2.gz SECRWPNZLNDOGL-ZFWWWQNUSA-N 2 2 336.436 1.200 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001033777014 708703965 /nfs/dbraw/zinc/70/39/65/708703965.db2.gz SECRWPNZLNDOGL-ZFWWWQNUSA-N 2 2 336.436 1.200 20 0 EDADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874384 708967298 /nfs/dbraw/zinc/96/72/98/708967298.db2.gz XIZIIYNTXXLLJJ-CZUORRHYSA-N 2 2 343.431 1.363 20 0 EDADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033874384 708967300 /nfs/dbraw/zinc/96/73/00/708967300.db2.gz XIZIIYNTXXLLJJ-CZUORRHYSA-N 2 2 343.431 1.363 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061706768 709015356 /nfs/dbraw/zinc/01/53/56/709015356.db2.gz UXECNNSLVCMVLJ-CVEARBPZSA-N 2 2 331.464 1.520 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061706768 709015359 /nfs/dbraw/zinc/01/53/59/709015359.db2.gz UXECNNSLVCMVLJ-CVEARBPZSA-N 2 2 331.464 1.520 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033935909 709122938 /nfs/dbraw/zinc/12/29/38/709122938.db2.gz KKXOHHMLVOJIEP-YESZJQIVSA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033935909 709122941 /nfs/dbraw/zinc/12/29/41/709122941.db2.gz KKXOHHMLVOJIEP-YESZJQIVSA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2nccn2C)C1 ZINC001033935909 709122944 /nfs/dbraw/zinc/12/29/44/709122944.db2.gz KKXOHHMLVOJIEP-YESZJQIVSA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2nccn2C)C1 ZINC001033935909 709122947 /nfs/dbraw/zinc/12/29/47/709122947.db2.gz KKXOHHMLVOJIEP-YESZJQIVSA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033940592 709146389 /nfs/dbraw/zinc/14/63/89/709146389.db2.gz IOZUYBNGVHTNQA-OAHLLOKOSA-N 2 2 336.505 1.908 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033940592 709146391 /nfs/dbraw/zinc/14/63/91/709146391.db2.gz IOZUYBNGVHTNQA-OAHLLOKOSA-N 2 2 336.505 1.908 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001034041377 709290106 /nfs/dbraw/zinc/29/01/06/709290106.db2.gz COBRPBKEUJYUTM-HOTGVXAUSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001034041377 709290109 /nfs/dbraw/zinc/29/01/09/709290109.db2.gz COBRPBKEUJYUTM-HOTGVXAUSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001034041377 709290112 /nfs/dbraw/zinc/29/01/12/709290112.db2.gz COBRPBKEUJYUTM-HOTGVXAUSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001034041377 709290115 /nfs/dbraw/zinc/29/01/15/709290115.db2.gz COBRPBKEUJYUTM-HOTGVXAUSA-N 2 2 333.480 1.278 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)oc1C ZINC001034139063 709389421 /nfs/dbraw/zinc/38/94/21/709389421.db2.gz QVUJEAOQKRZIFN-JKSUJKDBSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)oc1C ZINC001034139063 709389423 /nfs/dbraw/zinc/38/94/23/709389423.db2.gz QVUJEAOQKRZIFN-JKSUJKDBSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)oc1C ZINC001034139063 709389426 /nfs/dbraw/zinc/38/94/26/709389426.db2.gz QVUJEAOQKRZIFN-JKSUJKDBSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)oc1C ZINC001034139063 709389429 /nfs/dbraw/zinc/38/94/29/709389429.db2.gz QVUJEAOQKRZIFN-JKSUJKDBSA-N 2 2 334.464 1.856 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)on1 ZINC001034129331 709398455 /nfs/dbraw/zinc/39/84/55/709398455.db2.gz BQDWDEJLDIPBNF-HIFRSBDPSA-N 2 2 336.436 1.248 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)on1 ZINC001034129331 709398458 /nfs/dbraw/zinc/39/84/58/709398458.db2.gz BQDWDEJLDIPBNF-HIFRSBDPSA-N 2 2 336.436 1.248 20 0 EDADLP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)on1 ZINC001034129331 709398461 /nfs/dbraw/zinc/39/84/61/709398461.db2.gz BQDWDEJLDIPBNF-HIFRSBDPSA-N 2 2 336.436 1.248 20 0 EDADLP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001034129331 709398464 /nfs/dbraw/zinc/39/84/64/709398464.db2.gz BQDWDEJLDIPBNF-HIFRSBDPSA-N 2 2 336.436 1.248 20 0 EDADLP CC[C@H](C[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1)OC ZINC001002875029 709481582 /nfs/dbraw/zinc/48/15/82/709481582.db2.gz MVAMWDIPMFEMAW-QGZVFWFLSA-N 2 2 348.491 1.768 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)ncn1 ZINC001034270467 709676059 /nfs/dbraw/zinc/67/60/59/709676059.db2.gz HNVZKCGAFOVUNX-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC001034270467 709676060 /nfs/dbraw/zinc/67/60/60/709676060.db2.gz HNVZKCGAFOVUNX-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)ncn1 ZINC001034270467 709676061 /nfs/dbraw/zinc/67/60/61/709676061.db2.gz HNVZKCGAFOVUNX-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)ncn1 ZINC001034270467 709676062 /nfs/dbraw/zinc/67/60/62/709676062.db2.gz HNVZKCGAFOVUNX-FUHWJXTLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)on1 ZINC001034271496 709678284 /nfs/dbraw/zinc/67/82/84/709678284.db2.gz NVZNPDIZNUMOJZ-RDJZCZTQSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)on1 ZINC001034271496 709678288 /nfs/dbraw/zinc/67/82/88/709678288.db2.gz NVZNPDIZNUMOJZ-RDJZCZTQSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)on1 ZINC001034271496 709678292 /nfs/dbraw/zinc/67/82/92/709678292.db2.gz NVZNPDIZNUMOJZ-RDJZCZTQSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)on1 ZINC001034271496 709678295 /nfs/dbraw/zinc/67/82/95/709678295.db2.gz NVZNPDIZNUMOJZ-RDJZCZTQSA-N 2 2 334.464 1.938 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005534421 709689326 /nfs/dbraw/zinc/68/93/26/709689326.db2.gz YSSAMNZZZFAALW-NUEKZKHPSA-N 2 2 332.448 1.473 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005534421 709689327 /nfs/dbraw/zinc/68/93/27/709689327.db2.gz YSSAMNZZZFAALW-NUEKZKHPSA-N 2 2 332.448 1.473 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cnoc2C)C1 ZINC001034310377 709753742 /nfs/dbraw/zinc/75/37/42/709753742.db2.gz XDKIYDZINIUMNC-INIZCTEOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2cnoc2C)C1 ZINC001034310377 709753743 /nfs/dbraw/zinc/75/37/43/709753743.db2.gz XDKIYDZINIUMNC-INIZCTEOSA-N 2 2 331.420 1.659 20 0 EDADLP O=C(NC1CC[NH+](Cc2cncs2)CC1)[C@H]1CCCc2[nH+]ccn21 ZINC001003015996 709803691 /nfs/dbraw/zinc/80/36/91/709803691.db2.gz HRBHTKKZEUSPKA-OAHLLOKOSA-N 2 2 345.472 1.998 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375488 709869743 /nfs/dbraw/zinc/86/97/43/709869743.db2.gz CBLZEGXVLMTHRI-XJKSGUPXSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375488 709869749 /nfs/dbraw/zinc/86/97/49/709869749.db2.gz CBLZEGXVLMTHRI-XJKSGUPXSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nc1 ZINC001034386323 709915106 /nfs/dbraw/zinc/91/51/06/709915106.db2.gz QUYCUGAORHFSKT-KRWDZBQOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nc1 ZINC001034386323 709915109 /nfs/dbraw/zinc/91/51/09/709915109.db2.gz QUYCUGAORHFSKT-KRWDZBQOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cn1 ZINC001034400962 709944756 /nfs/dbraw/zinc/94/47/56/709944756.db2.gz YXIKAWCYYOACPQ-SJORKVTESA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC001034400962 709944759 /nfs/dbraw/zinc/94/47/59/709944759.db2.gz YXIKAWCYYOACPQ-SJORKVTESA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001034400962 709944764 /nfs/dbraw/zinc/94/47/64/709944764.db2.gz YXIKAWCYYOACPQ-SJORKVTESA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001034400962 709944766 /nfs/dbraw/zinc/94/47/66/709944766.db2.gz YXIKAWCYYOACPQ-SJORKVTESA-N 2 2 345.491 1.740 20 0 EDADLP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426619 709962871 /nfs/dbraw/zinc/96/28/71/709962871.db2.gz NMLZJPBDSLLOKP-HUUCEWRRSA-N 2 2 349.479 1.241 20 0 EDADLP CC[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426619 709962872 /nfs/dbraw/zinc/96/28/72/709962872.db2.gz NMLZJPBDSLLOKP-HUUCEWRRSA-N 2 2 349.479 1.241 20 0 EDADLP COc1cncc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003160472 710069180 /nfs/dbraw/zinc/06/91/80/710069180.db2.gz QFSHAPWFFZZGGR-INIZCTEOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003160472 710069184 /nfs/dbraw/zinc/06/91/84/710069184.db2.gz QFSHAPWFFZZGGR-INIZCTEOSA-N 2 2 347.463 1.050 20 0 EDADLP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001003191444 710087761 /nfs/dbraw/zinc/08/77/61/710087761.db2.gz YGSGEPYSEJGSGR-MRXNPFEDSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001034484763 710129681 /nfs/dbraw/zinc/12/96/81/710129681.db2.gz NSZPXERGSKWGBI-IAGOWNOFSA-N 2 2 348.491 1.750 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001034484763 710129683 /nfs/dbraw/zinc/12/96/83/710129683.db2.gz NSZPXERGSKWGBI-IAGOWNOFSA-N 2 2 348.491 1.750 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034503952 710146150 /nfs/dbraw/zinc/14/61/50/710146150.db2.gz VJPQNZMJMBKTDN-AWEZNQCLSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034503952 710146151 /nfs/dbraw/zinc/14/61/51/710146151.db2.gz VJPQNZMJMBKTDN-AWEZNQCLSA-N 2 2 331.420 1.728 20 0 EDADLP C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003242756 710165985 /nfs/dbraw/zinc/16/59/85/710165985.db2.gz HZQPNNZZEVGTGY-AWEZNQCLSA-N 2 2 346.479 1.085 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001034546255 710219723 /nfs/dbraw/zinc/21/97/23/710219723.db2.gz BWKIUARPYGEPRW-IRXDYDNUSA-N 2 2 334.464 1.813 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001034546255 710219725 /nfs/dbraw/zinc/21/97/25/710219725.db2.gz BWKIUARPYGEPRW-IRXDYDNUSA-N 2 2 334.464 1.813 20 0 EDADLP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547493 710221773 /nfs/dbraw/zinc/22/17/73/710221773.db2.gz SBVRQVDZRUBVSL-HNNXBMFYSA-N 2 2 328.420 1.152 20 0 EDADLP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547493 710221774 /nfs/dbraw/zinc/22/17/74/710221774.db2.gz SBVRQVDZRUBVSL-HNNXBMFYSA-N 2 2 328.420 1.152 20 0 EDADLP CCc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547499 710221999 /nfs/dbraw/zinc/22/19/99/710221999.db2.gz SERSRXHRPLMUAE-OAHLLOKOSA-N 2 2 331.420 1.604 20 0 EDADLP CCc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547499 710222001 /nfs/dbraw/zinc/22/20/01/710222001.db2.gz SERSRXHRPLMUAE-OAHLLOKOSA-N 2 2 331.420 1.604 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)C1 ZINC001003482703 710377136 /nfs/dbraw/zinc/37/71/36/710377136.db2.gz JNBOANGBHCELKH-MRXNPFEDSA-N 2 2 347.507 1.623 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)C1 ZINC001003482703 710377138 /nfs/dbraw/zinc/37/71/38/710377138.db2.gz JNBOANGBHCELKH-MRXNPFEDSA-N 2 2 347.507 1.623 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)oc1C ZINC001003544974 710412541 /nfs/dbraw/zinc/41/25/41/710412541.db2.gz WNOPQJNFCJICGT-UHFFFAOYSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)oc1C ZINC001003629592 710459237 /nfs/dbraw/zinc/45/92/37/710459237.db2.gz CNVHPWJDUWWONO-LRDDRELGSA-N 2 2 334.464 1.570 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)oc1C ZINC001003629592 710459239 /nfs/dbraw/zinc/45/92/39/710459239.db2.gz CNVHPWJDUWWONO-LRDDRELGSA-N 2 2 334.464 1.570 20 0 EDADLP Cc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001003651882 710469602 /nfs/dbraw/zinc/46/96/02/710469602.db2.gz IVSJDJGTQVSSON-HZPDHXFCSA-N 2 2 343.431 1.601 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)o1 ZINC001003842037 710676550 /nfs/dbraw/zinc/67/65/50/710676550.db2.gz SQMKMZIZZRBYIH-AWEZNQCLSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C1CC[NH+](CCCO)CC1)C2 ZINC001005624419 710744336 /nfs/dbraw/zinc/74/43/36/710744336.db2.gz QQZXGIXKFVEZJA-CQSZACIVSA-N 2 2 334.464 1.128 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C1CC[NH+](CCCO)CC1)CC2 ZINC001005624419 710744341 /nfs/dbraw/zinc/74/43/41/710744341.db2.gz QQZXGIXKFVEZJA-CQSZACIVSA-N 2 2 334.464 1.128 20 0 EDADLP COC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005626661 710767784 /nfs/dbraw/zinc/76/77/84/710767784.db2.gz WOLRECWPSQDFNB-LSDHHAIUSA-N 2 2 334.464 1.403 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)nn1C ZINC001034744033 710946536 /nfs/dbraw/zinc/94/65/36/710946536.db2.gz IEHPIDKXQKKSKC-HDJSIYSDSA-N 2 2 330.436 1.211 20 0 EDADLP c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n(C2CCC2)n1 ZINC000922339226 711142497 /nfs/dbraw/zinc/14/24/97/711142497.db2.gz YBGNNRXDWHVTLU-KRWDZBQOSA-N 2 2 347.507 1.494 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003968707 711144133 /nfs/dbraw/zinc/14/41/33/711144133.db2.gz SZSZFLIQVVUICK-HNNXBMFYSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003968707 711144136 /nfs/dbraw/zinc/14/41/36/711144136.db2.gz SZSZFLIQVVUICK-HNNXBMFYSA-N 2 2 333.480 1.325 20 0 EDADLP Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001034891387 711347120 /nfs/dbraw/zinc/34/71/20/711347120.db2.gz SGGXTIIDRVUTEK-MOPGFXCFSA-N 2 2 345.487 1.715 20 0 EDADLP Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001034891387 711347121 /nfs/dbraw/zinc/34/71/21/711347121.db2.gz SGGXTIIDRVUTEK-MOPGFXCFSA-N 2 2 345.487 1.715 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)sn1 ZINC001034956121 711425089 /nfs/dbraw/zinc/42/50/89/711425089.db2.gz ODRPCNJXILQJSI-CYBMUJFWSA-N 2 2 349.460 1.588 20 0 EDADLP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1)C1CCC1 ZINC001034957945 711430248 /nfs/dbraw/zinc/43/02/48/711430248.db2.gz QMAINHUGZNNKNN-OAHLLOKOSA-N 2 2 347.463 1.512 20 0 EDADLP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1)C1CCC1 ZINC001034957945 711430251 /nfs/dbraw/zinc/43/02/51/711430251.db2.gz QMAINHUGZNNKNN-OAHLLOKOSA-N 2 2 347.463 1.512 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)o1 ZINC001034958635 711432365 /nfs/dbraw/zinc/43/23/65/711432365.db2.gz LDEDIEUCRRHBHK-HZPDHXFCSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)o1 ZINC001034958635 711432367 /nfs/dbraw/zinc/43/23/67/711432367.db2.gz LDEDIEUCRRHBHK-HZPDHXFCSA-N 2 2 349.479 1.437 20 0 EDADLP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC001004148989 711563050 /nfs/dbraw/zinc/56/30/50/711563050.db2.gz ZIJFONZLYVONGF-UHFFFAOYSA-N 2 2 336.867 1.911 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033126732 711890897 /nfs/dbraw/zinc/89/08/97/711890897.db2.gz PJNFXVDLVKAMRH-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033126732 711890898 /nfs/dbraw/zinc/89/08/98/711890898.db2.gz PJNFXVDLVKAMRH-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033126732 711890900 /nfs/dbraw/zinc/89/09/00/711890900.db2.gz PJNFXVDLVKAMRH-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033126732 711890901 /nfs/dbraw/zinc/89/09/01/711890901.db2.gz PJNFXVDLVKAMRH-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631317 712016145 /nfs/dbraw/zinc/01/61/45/712016145.db2.gz BFHHNQVQJPBYIX-QKPAOTATSA-N 2 2 332.448 1.330 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631317 712016147 /nfs/dbraw/zinc/01/61/47/712016147.db2.gz BFHHNQVQJPBYIX-QKPAOTATSA-N 2 2 332.448 1.330 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631317 712016150 /nfs/dbraw/zinc/01/61/50/712016150.db2.gz BFHHNQVQJPBYIX-QKPAOTATSA-N 2 2 332.448 1.330 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631317 712016152 /nfs/dbraw/zinc/01/61/52/712016152.db2.gz BFHHNQVQJPBYIX-QKPAOTATSA-N 2 2 332.448 1.330 20 0 EDADLP CO[C@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627162 712084767 /nfs/dbraw/zinc/08/47/67/712084767.db2.gz WFBYNTDRASRKBJ-WBVHZDCISA-N 2 2 334.464 1.621 20 0 EDADLP CO[C@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001004627162 712084770 /nfs/dbraw/zinc/08/47/70/712084770.db2.gz WFBYNTDRASRKBJ-WBVHZDCISA-N 2 2 334.464 1.621 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033151070 712115193 /nfs/dbraw/zinc/11/51/93/712115193.db2.gz HQKVQEBUGJRDMA-IAGOWNOFSA-N 2 2 339.443 1.888 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033151070 712115194 /nfs/dbraw/zinc/11/51/94/712115194.db2.gz HQKVQEBUGJRDMA-IAGOWNOFSA-N 2 2 339.443 1.888 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033152609 712157429 /nfs/dbraw/zinc/15/74/29/712157429.db2.gz PYOZKSRAKDWALD-HOTGVXAUSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033152609 712157430 /nfs/dbraw/zinc/15/74/30/712157430.db2.gz PYOZKSRAKDWALD-HOTGVXAUSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H]3C[N@@H+](CCF)C[C@H]3CC1)C2 ZINC000946651852 712200688 /nfs/dbraw/zinc/20/06/88/712200688.db2.gz GSHMNQYJWCXQSX-HRCADAONSA-N 2 2 348.466 1.963 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H]3C[N@H+](CCF)C[C@H]3CC1)C2 ZINC000946651852 712200690 /nfs/dbraw/zinc/20/06/90/712200690.db2.gz GSHMNQYJWCXQSX-HRCADAONSA-N 2 2 348.466 1.963 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCF)C[C@H]3CC1)CC2 ZINC000946651852 712200692 /nfs/dbraw/zinc/20/06/92/712200692.db2.gz GSHMNQYJWCXQSX-HRCADAONSA-N 2 2 348.466 1.963 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H]3C[N@H+](CCF)C[C@H]3CC1)CC2 ZINC000946651852 712200694 /nfs/dbraw/zinc/20/06/94/712200694.db2.gz GSHMNQYJWCXQSX-HRCADAONSA-N 2 2 348.466 1.963 20 0 EDADLP C[NH+](C)CCC1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000369552702 282082582 /nfs/dbraw/zinc/08/25/82/282082582.db2.gz RUYYGUUIHUNMHL-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+](C)CCC1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000369552702 282082585 /nfs/dbraw/zinc/08/25/85/282082585.db2.gz RUYYGUUIHUNMHL-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000052523790 214133084 /nfs/dbraw/zinc/13/30/84/214133084.db2.gz IGETYGIPRWSCNK-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000052523790 214133086 /nfs/dbraw/zinc/13/30/86/214133086.db2.gz IGETYGIPRWSCNK-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000184929534 282186617 /nfs/dbraw/zinc/18/66/17/282186617.db2.gz XSPYQLYVGNHKJV-OAHLLOKOSA-N 2 2 346.479 1.491 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CCC[N@H+](CC)CC1)[NH+]1CCOCC1 ZINC000363565824 282220620 /nfs/dbraw/zinc/22/06/20/282220620.db2.gz IJWJQWPGUJHHQY-KRWDZBQOSA-N 2 2 325.497 1.678 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CCC[N@@H+](CC)CC1)[NH+]1CCOCC1 ZINC000363565824 282220621 /nfs/dbraw/zinc/22/06/21/282220621.db2.gz IJWJQWPGUJHHQY-KRWDZBQOSA-N 2 2 325.497 1.678 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000173838759 529814213 /nfs/dbraw/zinc/81/42/13/529814213.db2.gz KDEALYPLIHZGHE-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560044599 306260567 /nfs/dbraw/zinc/26/05/67/306260567.db2.gz JZPJXPODASSNPL-HOCLYGCPSA-N 2 2 332.448 1.642 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CNC(=O)C4)CC3)cn2)CC1 ZINC000329184530 539419541 /nfs/dbraw/zinc/41/95/41/539419541.db2.gz PGIUOHCIQKRALM-UHFFFAOYSA-N 2 2 344.463 1.171 20 0 EDADLP OCCn1ncc2c1CCC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000326632092 539591497 /nfs/dbraw/zinc/59/14/97/539591497.db2.gz SNATYHMJDHNTJB-QGZVFWFLSA-N 2 2 341.459 1.906 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2=O)n(C)n1 ZINC000151173905 539744396 /nfs/dbraw/zinc/74/43/96/539744396.db2.gz CDIYGQOKDOSGTO-MRXNPFEDSA-N 2 2 340.431 1.051 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000352922390 539928895 /nfs/dbraw/zinc/92/88/95/539928895.db2.gz REGBFPXYDWKEPZ-YJJCSNFXSA-N 2 2 325.497 1.014 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000352922390 539928900 /nfs/dbraw/zinc/92/89/00/539928900.db2.gz REGBFPXYDWKEPZ-YJJCSNFXSA-N 2 2 325.497 1.014 20 0 EDADLP CC[C@@H](NC(=O)N1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562807810 306309873 /nfs/dbraw/zinc/30/98/73/306309873.db2.gz YWIWVNYIASDIFO-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP CC[C@@H](NC(=O)N1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562807810 306309874 /nfs/dbraw/zinc/30/98/74/306309874.db2.gz YWIWVNYIASDIFO-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP Cc1cc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1O ZINC000563003130 306315751 /nfs/dbraw/zinc/31/57/51/306315751.db2.gz OBATWZXMOHFIBN-JZXOWHBKSA-N 2 2 336.476 1.611 20 0 EDADLP Cc1cc(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1O ZINC000563003130 306315752 /nfs/dbraw/zinc/31/57/52/306315752.db2.gz OBATWZXMOHFIBN-JZXOWHBKSA-N 2 2 336.476 1.611 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000563336860 306328141 /nfs/dbraw/zinc/32/81/41/306328141.db2.gz NHWXPNRMYOPCFL-AWEZNQCLSA-N 2 2 329.366 1.739 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000563336860 306328142 /nfs/dbraw/zinc/32/81/42/306328142.db2.gz NHWXPNRMYOPCFL-AWEZNQCLSA-N 2 2 329.366 1.739 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379653538 540159777 /nfs/dbraw/zinc/15/97/77/540159777.db2.gz GCNDAKUSZGQERT-HKUYNNGSSA-N 3 2 344.503 1.403 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379653538 540159781 /nfs/dbraw/zinc/15/97/81/540159781.db2.gz GCNDAKUSZGQERT-HKUYNNGSSA-N 3 2 344.503 1.403 20 0 EDADLP c1cn(-c2ccc(C[N@@H+]3CCOCC4(CCOCC4)C3)cn2)c[nH+]1 ZINC000184117825 235310777 /nfs/dbraw/zinc/31/07/77/235310777.db2.gz NNBZNVHXMSEJGN-UHFFFAOYSA-N 2 2 328.416 1.896 20 0 EDADLP c1cn(-c2ccc(C[N@H+]3CCOCC4(CCOCC4)C3)cn2)c[nH+]1 ZINC000184117825 235310780 /nfs/dbraw/zinc/31/07/80/235310780.db2.gz NNBZNVHXMSEJGN-UHFFFAOYSA-N 2 2 328.416 1.896 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c2[nH+]ccn21 ZINC000334064075 291073595 /nfs/dbraw/zinc/07/35/95/291073595.db2.gz CKUNJDMRIHAXSW-BFHYXJOUSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c2[nH+]ccn21 ZINC000334064075 291073598 /nfs/dbraw/zinc/07/35/98/291073598.db2.gz CKUNJDMRIHAXSW-BFHYXJOUSA-N 2 2 335.452 1.376 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000563442549 306333354 /nfs/dbraw/zinc/33/33/54/306333354.db2.gz RGRCCJFEKVPDEQ-HUUCEWRRSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000563442549 306333355 /nfs/dbraw/zinc/33/33/55/306333355.db2.gz RGRCCJFEKVPDEQ-HUUCEWRRSA-N 2 2 330.363 1.225 20 0 EDADLP CC(C)OCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758281 138135274 /nfs/dbraw/zinc/13/52/74/138135274.db2.gz UMANGSZFBZQTFR-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000563539037 306338124 /nfs/dbraw/zinc/33/81/24/306338124.db2.gz LQRDXSUMZQDEAP-MRXNPFEDSA-N 2 2 336.911 1.924 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000076004438 138244900 /nfs/dbraw/zinc/24/49/00/138244900.db2.gz OMBRNTHETFSMJJ-GJZGRUSLSA-N 2 2 326.485 1.520 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000076004438 138244901 /nfs/dbraw/zinc/24/49/01/138244901.db2.gz OMBRNTHETFSMJJ-GJZGRUSLSA-N 2 2 326.485 1.520 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000413391904 304059530 /nfs/dbraw/zinc/05/95/30/304059530.db2.gz BZINQCZKCUHXGG-BBWFWOEESA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000413391904 304059531 /nfs/dbraw/zinc/05/95/31/304059531.db2.gz BZINQCZKCUHXGG-BBWFWOEESA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC000413391904 304059533 /nfs/dbraw/zinc/05/95/33/304059533.db2.gz BZINQCZKCUHXGG-BBWFWOEESA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC000413391904 304059535 /nfs/dbraw/zinc/05/95/35/304059535.db2.gz BZINQCZKCUHXGG-BBWFWOEESA-N 2 2 338.496 1.079 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000093172968 138292315 /nfs/dbraw/zinc/29/23/15/138292315.db2.gz LKOQRINDZSCOQP-IBGZPJMESA-N 2 2 349.450 1.345 20 0 EDADLP CCCCCn1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000563588167 306340181 /nfs/dbraw/zinc/34/01/81/306340181.db2.gz XSDGZIGOVDCRIK-INIZCTEOSA-N 2 2 336.484 1.166 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])Oc1ccccc1C ZINC000563588488 306340191 /nfs/dbraw/zinc/34/01/91/306340191.db2.gz PTMBWCPANIJAKD-CVEARBPZSA-N 2 2 334.464 1.437 20 0 EDADLP C[C@H](C(=O)NCC(F)(F)F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918574 138302714 /nfs/dbraw/zinc/30/27/14/138302714.db2.gz YEEBPGBXWXEXML-LLVKDONJSA-N 2 2 332.370 1.742 20 0 EDADLP CCCCCCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109755716 138306189 /nfs/dbraw/zinc/30/61/89/138306189.db2.gz PARNLQBPSFVNDG-SFHVURJKSA-N 2 2 338.540 1.785 20 0 EDADLP CCCCCCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109755716 138306190 /nfs/dbraw/zinc/30/61/90/138306190.db2.gz PARNLQBPSFVNDG-SFHVURJKSA-N 2 2 338.540 1.785 20 0 EDADLP C[NH+](C)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000133888349 138399491 /nfs/dbraw/zinc/39/94/91/138399491.db2.gz RPNCOQADNPZUTH-GDBMZVCRSA-N 2 2 325.840 1.390 20 0 EDADLP C[NH+](C)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133888349 138399492 /nfs/dbraw/zinc/39/94/92/138399492.db2.gz RPNCOQADNPZUTH-GDBMZVCRSA-N 2 2 325.840 1.390 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)CC[N@@H+]1CCOC ZINC000563814941 306348391 /nfs/dbraw/zinc/34/83/91/306348391.db2.gz YOYHJRIIFPDAEA-JSGCOSHPSA-N 2 2 326.466 1.102 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)CC[N@H+]1CCOC ZINC000563814941 306348392 /nfs/dbraw/zinc/34/83/92/306348392.db2.gz YOYHJRIIFPDAEA-JSGCOSHPSA-N 2 2 326.466 1.102 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000563890168 306351649 /nfs/dbraw/zinc/35/16/49/306351649.db2.gz DAGQQYMPFMRFPS-ZDUSSCGKSA-N 2 2 331.420 1.783 20 0 EDADLP CCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343394023 283344336 /nfs/dbraw/zinc/34/43/36/283344336.db2.gz FYKWXNSJNAUPOH-IXDOHACOSA-N 2 2 325.497 1.674 20 0 EDADLP CCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343394023 283344339 /nfs/dbraw/zinc/34/43/39/283344339.db2.gz FYKWXNSJNAUPOH-IXDOHACOSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000139940599 201143778 /nfs/dbraw/zinc/14/37/78/201143778.db2.gz SVYGKQNKGAEFPP-RDJZCZTQSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000139940599 201143780 /nfs/dbraw/zinc/14/37/80/201143780.db2.gz SVYGKQNKGAEFPP-RDJZCZTQSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000139940599 201143784 /nfs/dbraw/zinc/14/37/84/201143784.db2.gz SVYGKQNKGAEFPP-RDJZCZTQSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000139940599 201143787 /nfs/dbraw/zinc/14/37/87/201143787.db2.gz SVYGKQNKGAEFPP-RDJZCZTQSA-N 2 2 345.443 1.828 20 0 EDADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000276347827 201294945 /nfs/dbraw/zinc/29/49/45/201294945.db2.gz HOJUWXJLSFQKNG-RDJZCZTQSA-N 2 2 334.443 1.551 20 0 EDADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000276347827 201294949 /nfs/dbraw/zinc/29/49/49/201294949.db2.gz HOJUWXJLSFQKNG-RDJZCZTQSA-N 2 2 334.443 1.551 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)n1cc[nH+]c1 ZINC000565955110 306395676 /nfs/dbraw/zinc/39/56/76/306395676.db2.gz WKJPOBFIDMCLAN-OAHLLOKOSA-N 2 2 328.416 1.884 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000171718376 296062357 /nfs/dbraw/zinc/06/23/57/296062357.db2.gz VZRPJNBPUDSSFI-BRWVUGGUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)C[C@@H](C)O1 ZINC000566132717 306399511 /nfs/dbraw/zinc/39/95/11/306399511.db2.gz ZRHFALDOEKOWNA-XQZMSQOBSA-N 2 2 326.481 1.251 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000414707868 304130803 /nfs/dbraw/zinc/13/08/03/304130803.db2.gz ZHHBXSVJTLRRMU-SQNIBIBYSA-N 2 2 338.540 1.672 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069742587 203045341 /nfs/dbraw/zinc/04/53/41/203045341.db2.gz BALXHVBZUMOCSC-MRXNPFEDSA-N 2 2 342.443 1.448 20 0 EDADLP CC[NH2+]CC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414821530 304144658 /nfs/dbraw/zinc/14/46/58/304144658.db2.gz FFDVZQGBKHOAQM-UHFFFAOYSA-N 2 2 341.883 1.750 20 0 EDADLP CC[N@H+](C[C@H](O)Cn1cccn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108570 203338736 /nfs/dbraw/zinc/33/87/36/203338736.db2.gz OQWRXDYPTYSBBI-SFHVURJKSA-N 2 2 343.475 1.878 20 0 EDADLP CC[N@@H+](C[C@H](O)Cn1cccn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108570 203338738 /nfs/dbraw/zinc/33/87/38/203338738.db2.gz OQWRXDYPTYSBBI-SFHVURJKSA-N 2 2 343.475 1.878 20 0 EDADLP Cc1cc(Br)cn2c(CN(C)C[C@H](O)C[NH3+])c[nH+]c12 ZINC000415067736 304156766 /nfs/dbraw/zinc/15/67/66/304156766.db2.gz LIEKJTNDUXXMGC-GFCCVEGCSA-N 2 2 327.226 1.157 20 0 EDADLP Cc1cc(Br)cn2c(C[N@H+](C)C[C@H](O)C[NH3+])cnc12 ZINC000415067736 304156767 /nfs/dbraw/zinc/15/67/67/304156767.db2.gz LIEKJTNDUXXMGC-GFCCVEGCSA-N 2 2 327.226 1.157 20 0 EDADLP Cc1cc(Br)cn2c(C[N@@H+](C)C[C@H](O)C[NH3+])cnc12 ZINC000415067736 304156769 /nfs/dbraw/zinc/15/67/69/304156769.db2.gz LIEKJTNDUXXMGC-GFCCVEGCSA-N 2 2 327.226 1.157 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000101979785 204028670 /nfs/dbraw/zinc/02/86/70/204028670.db2.gz DIRYZPKPOWPBQZ-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000101979785 204028672 /nfs/dbraw/zinc/02/86/72/204028672.db2.gz DIRYZPKPOWPBQZ-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000104718509 204115459 /nfs/dbraw/zinc/11/54/59/204115459.db2.gz UQXVEVUFDRBTNY-OAHLLOKOSA-N 2 2 332.448 1.471 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000104779900 204120380 /nfs/dbraw/zinc/12/03/80/204120380.db2.gz UDKCTJXHVJMDCL-YJBOKZPZSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000104779900 204120384 /nfs/dbraw/zinc/12/03/84/204120384.db2.gz UDKCTJXHVJMDCL-YJBOKZPZSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000104779900 204120386 /nfs/dbraw/zinc/12/03/86/204120386.db2.gz UDKCTJXHVJMDCL-YJBOKZPZSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000104779900 204120390 /nfs/dbraw/zinc/12/03/90/204120390.db2.gz UDKCTJXHVJMDCL-YJBOKZPZSA-N 2 2 346.475 1.063 20 0 EDADLP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccco1 ZINC000109317217 204282157 /nfs/dbraw/zinc/28/21/57/204282157.db2.gz VZFAMLWUIJRHGA-GJZGRUSLSA-N 2 2 345.447 1.993 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1OC ZINC000195156175 139008191 /nfs/dbraw/zinc/00/81/91/139008191.db2.gz JGCSGKGGTGODJZ-INIZCTEOSA-N 2 2 347.459 1.442 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N[C@@H](C[NH3+])C2CC2)c1)[NH+]1CCOCC1 ZINC000415145088 304164752 /nfs/dbraw/zinc/16/47/52/304164752.db2.gz DESWCRILYGVNIV-GUYCJALGSA-N 2 2 332.448 1.939 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C[C@@H](C)O1 ZINC000195515811 139018734 /nfs/dbraw/zinc/01/87/34/139018734.db2.gz NUXGBIDLTQUHRI-BZUAXINKSA-N 2 2 332.448 1.451 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C[C@@H](C)O1 ZINC000195515811 139018735 /nfs/dbraw/zinc/01/87/35/139018735.db2.gz NUXGBIDLTQUHRI-BZUAXINKSA-N 2 2 332.448 1.451 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1Br ZINC000225326130 139021512 /nfs/dbraw/zinc/02/15/12/139021512.db2.gz AIFXSOZVROBAAI-ZDUSSCGKSA-N 2 2 342.281 1.793 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1Br ZINC000225326130 139021513 /nfs/dbraw/zinc/02/15/13/139021513.db2.gz AIFXSOZVROBAAI-ZDUSSCGKSA-N 2 2 342.281 1.793 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000236885011 139034178 /nfs/dbraw/zinc/03/41/78/139034178.db2.gz JGAVEBMECVNDKJ-CABCVRRESA-N 2 2 331.464 1.684 20 0 EDADLP C[NH2+]CCCC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000237122568 139041281 /nfs/dbraw/zinc/04/12/81/139041281.db2.gz UEWUWHZYXRIRLL-QGZVFWFLSA-N 2 2 333.476 1.736 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)c1c(F)cccc1F ZINC000237137482 139041836 /nfs/dbraw/zinc/04/18/36/139041836.db2.gz DONOUNZQCYBDLY-WFASDCNBSA-N 2 2 341.402 1.452 20 0 EDADLP OCCNc1nc(NCc2ccn3cc[nH+]c3c2)[nH+]c2ccccc21 ZINC000567370659 306449453 /nfs/dbraw/zinc/44/94/53/306449453.db2.gz RWOCFBZPQXHRHO-UHFFFAOYSA-N 2 2 334.383 1.138 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130417063 205239685 /nfs/dbraw/zinc/23/96/85/205239685.db2.gz YPKXAFMUHDQESB-UHFFFAOYSA-N 2 2 334.855 1.510 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH+]2CCSCC2)c[nH+]1 ZINC000131198528 205277272 /nfs/dbraw/zinc/27/72/72/205277272.db2.gz OIZMZVASPDCICT-AWEZNQCLSA-N 2 2 336.505 1.981 20 0 EDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000111445753 220156907 /nfs/dbraw/zinc/15/69/07/220156907.db2.gz YZIABUUBDVTNTH-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000111445753 220156908 /nfs/dbraw/zinc/15/69/08/220156908.db2.gz YZIABUUBDVTNTH-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111456288 220158416 /nfs/dbraw/zinc/15/84/16/220158416.db2.gz SJQXEALKUKWPOP-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP [NH3+][C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000237812851 139061051 /nfs/dbraw/zinc/06/10/51/139061051.db2.gz FLPIOLICWMHPSB-QGZVFWFLSA-N 2 2 331.460 1.838 20 0 EDADLP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1COCC[NH2+]1 ZINC000237968667 139065350 /nfs/dbraw/zinc/06/53/50/139065350.db2.gz NSASXJYSVBALHA-MRXNPFEDSA-N 2 2 335.473 1.205 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245416283 139073209 /nfs/dbraw/zinc/07/32/09/139073209.db2.gz FAAAQURXKGPIRK-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CN(C)CCO3)n2)C1 ZINC000245470744 139076371 /nfs/dbraw/zinc/07/63/71/139076371.db2.gz WTNKULHECFFVOL-GXTWGEPZSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3C[NH+](C)CCO3)n2)C1 ZINC000245470744 139076372 /nfs/dbraw/zinc/07/63/72/139076372.db2.gz WTNKULHECFFVOL-GXTWGEPZSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3C[NH+](C)CCO3)n2)C1 ZINC000245470744 139076373 /nfs/dbraw/zinc/07/63/73/139076373.db2.gz WTNKULHECFFVOL-GXTWGEPZSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3C[N@H+](C)CCO3)n2)C1 ZINC000245470744 139076374 /nfs/dbraw/zinc/07/63/74/139076374.db2.gz WTNKULHECFFVOL-GXTWGEPZSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3C[N@@H+](C)CCO3)n2)C1 ZINC000245470744 139076375 /nfs/dbraw/zinc/07/63/75/139076375.db2.gz WTNKULHECFFVOL-GXTWGEPZSA-N 2 2 338.477 1.644 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245512180 139077505 /nfs/dbraw/zinc/07/75/05/139077505.db2.gz NCAQPFAJWCMNMF-HRCADAONSA-N 2 2 331.464 1.832 20 0 EDADLP Cc1c(C(=O)Nc2ccc3[nH+]ccn3c2)nnn1C1CC[NH2+]CC1 ZINC000567794136 306463558 /nfs/dbraw/zinc/46/35/58/306463558.db2.gz OFPNMTFNWDPQPE-UHFFFAOYSA-N 2 2 325.376 1.411 20 0 EDADLP COC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000246434075 139108411 /nfs/dbraw/zinc/10/84/11/139108411.db2.gz KOEBHJDBJNKBBK-BEFAXECRSA-N 2 2 345.443 1.899 20 0 EDADLP COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000246434075 139108412 /nfs/dbraw/zinc/10/84/12/139108412.db2.gz KOEBHJDBJNKBBK-BEFAXECRSA-N 2 2 345.443 1.899 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000246551215 139112564 /nfs/dbraw/zinc/11/25/64/139112564.db2.gz TVIPTNXSRGNFEO-IIAWOOMASA-N 2 2 332.448 1.454 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247076059 139134464 /nfs/dbraw/zinc/13/44/64/139134464.db2.gz WVSXHUJQBYIJSB-YOEHRIQHSA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247076059 139134465 /nfs/dbraw/zinc/13/44/65/139134465.db2.gz WVSXHUJQBYIJSB-YOEHRIQHSA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247076059 139134466 /nfs/dbraw/zinc/13/44/66/139134466.db2.gz WVSXHUJQBYIJSB-YOEHRIQHSA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247076059 139134467 /nfs/dbraw/zinc/13/44/67/139134467.db2.gz WVSXHUJQBYIJSB-YOEHRIQHSA-N 2 2 346.475 1.789 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247330055 139145027 /nfs/dbraw/zinc/14/50/27/139145027.db2.gz WVPHAWBKSZCBGV-DOTOQJQBSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247330055 139145028 /nfs/dbraw/zinc/14/50/28/139145028.db2.gz WVPHAWBKSZCBGV-DOTOQJQBSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247330055 139145029 /nfs/dbraw/zinc/14/50/29/139145029.db2.gz WVPHAWBKSZCBGV-DOTOQJQBSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247330055 139145030 /nfs/dbraw/zinc/14/50/30/139145030.db2.gz WVPHAWBKSZCBGV-DOTOQJQBSA-N 2 2 345.443 1.828 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000247888534 139155546 /nfs/dbraw/zinc/15/55/46/139155546.db2.gz DRWVQJISDDSUHN-SJLPKXTDSA-N 2 2 330.476 1.894 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000247888534 139155547 /nfs/dbraw/zinc/15/55/47/139155547.db2.gz DRWVQJISDDSUHN-SJLPKXTDSA-N 2 2 330.476 1.894 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@H](C)[C@H]2C)CC1 ZINC000248004695 139156984 /nfs/dbraw/zinc/15/69/84/139156984.db2.gz KSLNROCBZMPOJH-QZTJIDSGSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@H](C)[C@H]2C)CC1 ZINC000248004695 139156985 /nfs/dbraw/zinc/15/69/85/139156985.db2.gz KSLNROCBZMPOJH-QZTJIDSGSA-N 2 2 345.487 1.748 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000248796861 139175694 /nfs/dbraw/zinc/17/56/94/139175694.db2.gz YTOXXBWGQBCPKS-UZLBHIALSA-N 2 2 343.471 1.670 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000248796861 139175695 /nfs/dbraw/zinc/17/56/95/139175695.db2.gz YTOXXBWGQBCPKS-UZLBHIALSA-N 2 2 343.471 1.670 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](CO)O[C@@H](C)C3)c2cc1C ZINC000248867261 139178466 /nfs/dbraw/zinc/17/84/66/139178466.db2.gz UCCCLSDSDIWHFX-ARFHVFGLSA-N 2 2 333.432 1.096 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](CO)O[C@@H](C)C3)c2cc1C ZINC000248867261 139178467 /nfs/dbraw/zinc/17/84/67/139178467.db2.gz UCCCLSDSDIWHFX-ARFHVFGLSA-N 2 2 333.432 1.096 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C[C@@H](C)O1 ZINC000249882135 139199607 /nfs/dbraw/zinc/19/96/07/139199607.db2.gz NUXGBIDLTQUHRI-OAGGEKHMSA-N 2 2 332.448 1.451 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C[C@@H](C)O1 ZINC000249882135 139199608 /nfs/dbraw/zinc/19/96/08/139199608.db2.gz NUXGBIDLTQUHRI-OAGGEKHMSA-N 2 2 332.448 1.451 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000261604236 139210132 /nfs/dbraw/zinc/21/01/32/139210132.db2.gz AANVHVKLDLRGJB-UHFFFAOYSA-N 2 2 326.400 1.307 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000261656412 139214918 /nfs/dbraw/zinc/21/49/18/139214918.db2.gz HVGUGFUZKNYCIV-FQEVSTJZSA-N 3 2 344.503 1.569 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000261656412 139214919 /nfs/dbraw/zinc/21/49/19/139214919.db2.gz HVGUGFUZKNYCIV-FQEVSTJZSA-N 3 2 344.503 1.569 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261632595 139212848 /nfs/dbraw/zinc/21/28/48/139212848.db2.gz FNTMEBJRTZDDAN-SCLBCKFNSA-N 2 2 335.448 1.552 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261632595 139212849 /nfs/dbraw/zinc/21/28/49/139212849.db2.gz FNTMEBJRTZDDAN-SCLBCKFNSA-N 2 2 335.448 1.552 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000261784735 139225625 /nfs/dbraw/zinc/22/56/25/139225625.db2.gz NDYIDRZWSJKHEY-AWEZNQCLSA-N 2 2 327.331 1.617 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000261784735 139225626 /nfs/dbraw/zinc/22/56/26/139225626.db2.gz NDYIDRZWSJKHEY-AWEZNQCLSA-N 2 2 327.331 1.617 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261800176 139227186 /nfs/dbraw/zinc/22/71/86/139227186.db2.gz ZXWZBDBYGAZKDS-BBWFWOEESA-N 2 2 344.459 1.455 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@H]1CCC[NH2+]C1 ZINC000261819197 139228858 /nfs/dbraw/zinc/22/88/58/139228858.db2.gz IFFINPZDAQECNE-AWEZNQCLSA-N 2 2 333.432 1.718 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@H]1CCC[NH2+]C1 ZINC000261819197 139228859 /nfs/dbraw/zinc/22/88/59/139228859.db2.gz IFFINPZDAQECNE-AWEZNQCLSA-N 2 2 333.432 1.718 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@H]3CC[NH2+]C3)c[nH+]2)CCO1 ZINC000261899657 139235136 /nfs/dbraw/zinc/23/51/36/139235136.db2.gz UVGKZQZPDNEJIX-CABCVRRESA-N 2 2 332.448 1.313 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000261932012 139238238 /nfs/dbraw/zinc/23/82/38/139238238.db2.gz ZYCNLZJJZFYRPT-INIZCTEOSA-N 2 2 348.838 1.530 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000261932012 139238239 /nfs/dbraw/zinc/23/82/39/139238239.db2.gz ZYCNLZJJZFYRPT-INIZCTEOSA-N 2 2 348.838 1.530 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416987306 251119131 /nfs/dbraw/zinc/11/91/31/251119131.db2.gz MSOBKDVWLBOHTK-MGPQQGTHSA-N 2 2 335.452 1.184 20 0 EDADLP C[NH2+][C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1cnn(C)c1 ZINC000262446052 139279450 /nfs/dbraw/zinc/27/94/50/139279450.db2.gz VKLTWPCGURPMRS-MLGOLLRUSA-N 2 2 347.488 1.305 20 0 EDADLP C[NH2+][C@@H](C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1cnn(C)c1 ZINC000262446052 139279451 /nfs/dbraw/zinc/27/94/51/139279451.db2.gz VKLTWPCGURPMRS-MLGOLLRUSA-N 2 2 347.488 1.305 20 0 EDADLP CCn1c[nH+]cc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000417752586 251255492 /nfs/dbraw/zinc/25/54/92/251255492.db2.gz IHSIHUDDZVWDBJ-UHFFFAOYSA-N 2 2 334.386 1.990 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417832695 251290624 /nfs/dbraw/zinc/29/06/24/251290624.db2.gz DMIZRPVMRCPOFP-VQFNDLOPSA-N 2 2 339.443 1.533 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417823361 251284343 /nfs/dbraw/zinc/28/43/43/251284343.db2.gz JRNZCSUNYSXSCK-MELADBBJSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417823361 251284345 /nfs/dbraw/zinc/28/43/45/251284345.db2.gz JRNZCSUNYSXSCK-MELADBBJSA-N 2 2 340.493 1.546 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176370388 207220449 /nfs/dbraw/zinc/22/04/49/207220449.db2.gz VHTBOSXKWNRVLR-UHFFFAOYSA-N 2 2 346.431 1.552 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418437558 251369681 /nfs/dbraw/zinc/36/96/81/251369681.db2.gz YIAHRSLVOZRIHI-ROUUACIJSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418437558 251369685 /nfs/dbraw/zinc/36/96/85/251369685.db2.gz YIAHRSLVOZRIHI-ROUUACIJSA-N 2 2 346.475 1.439 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000418731145 251399846 /nfs/dbraw/zinc/39/98/46/251399846.db2.gz SVMRBLMOVCLDGV-DOTOQJQBSA-N 2 2 331.464 1.426 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000418704180 251388821 /nfs/dbraw/zinc/38/88/21/251388821.db2.gz CMOSQMLJCLNZSG-IHRRRGAJSA-N 2 2 341.431 1.240 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000418704180 251388824 /nfs/dbraw/zinc/38/88/24/251388824.db2.gz CMOSQMLJCLNZSG-IHRRRGAJSA-N 2 2 341.431 1.240 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000262646444 139292783 /nfs/dbraw/zinc/29/27/83/139292783.db2.gz OJWYWMYIHMXKEZ-QRQLOZEOSA-N 2 2 343.471 1.957 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1cccc(F)c1 ZINC000177382077 207327622 /nfs/dbraw/zinc/32/76/22/207327622.db2.gz FFUQQOHJCPLXAO-UHFFFAOYSA-N 2 2 336.455 1.722 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1cccc(F)c1 ZINC000177382077 207327624 /nfs/dbraw/zinc/32/76/24/207327624.db2.gz FFUQQOHJCPLXAO-UHFFFAOYSA-N 2 2 336.455 1.722 20 0 EDADLP CN(CC[N@H+](C)CC(=O)Nc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000177382077 207327629 /nfs/dbraw/zinc/32/76/29/207327629.db2.gz FFUQQOHJCPLXAO-UHFFFAOYSA-N 2 2 336.455 1.722 20 0 EDADLP CN(CC[N@@H+](C)CC(=O)Nc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000177382077 207327634 /nfs/dbraw/zinc/32/76/34/207327634.db2.gz FFUQQOHJCPLXAO-UHFFFAOYSA-N 2 2 336.455 1.722 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)CC2)cs1 ZINC000262720224 139298843 /nfs/dbraw/zinc/29/88/43/139298843.db2.gz FMFHVWMJRCPHRP-STQMWFEESA-N 2 2 336.505 1.872 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422881473 252009169 /nfs/dbraw/zinc/00/91/69/252009169.db2.gz NTVNTZGEVSITGW-YJBOKZPZSA-N 3 2 330.476 1.162 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000422881014 252010152 /nfs/dbraw/zinc/01/01/52/252010152.db2.gz MZVBYTRGVYWARV-ROUUACIJSA-N 3 2 330.476 1.291 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422884014 252010597 /nfs/dbraw/zinc/01/05/97/252010597.db2.gz RHJXVZGNYXSUEM-MSOLQXFVSA-N 3 2 331.508 1.844 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179549 252043499 /nfs/dbraw/zinc/04/34/99/252043499.db2.gz MLFSTFZOKGQFFV-PKOBYXMFSA-N 3 2 331.508 1.177 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179549 252043502 /nfs/dbraw/zinc/04/35/02/252043502.db2.gz MLFSTFZOKGQFFV-PKOBYXMFSA-N 3 2 331.508 1.177 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000423931631 252105315 /nfs/dbraw/zinc/10/53/15/252105315.db2.gz MMOVEJKWXLUQPA-QRFRQXIXSA-N 2 2 345.487 1.906 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000423931631 252105317 /nfs/dbraw/zinc/10/53/17/252105317.db2.gz MMOVEJKWXLUQPA-QRFRQXIXSA-N 2 2 345.487 1.906 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424045509 252123959 /nfs/dbraw/zinc/12/39/59/252123959.db2.gz QUCUOQMWDBVARR-RJFAQORQSA-N 2 2 349.519 1.757 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424045509 252123960 /nfs/dbraw/zinc/12/39/60/252123960.db2.gz QUCUOQMWDBVARR-RJFAQORQSA-N 2 2 349.519 1.757 20 0 EDADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423791859 252075497 /nfs/dbraw/zinc/07/54/97/252075497.db2.gz HNEXEEICCOTWRI-HNNXBMFYSA-N 2 2 345.434 1.335 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000423790988 252076005 /nfs/dbraw/zinc/07/60/05/252076005.db2.gz ALJQXTNMPIEKSK-AWEZNQCLSA-N 2 2 330.432 1.555 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000424129026 252133632 /nfs/dbraw/zinc/13/36/32/252133632.db2.gz FVJWWDQHGKAKRS-CYBMUJFWSA-N 2 2 328.420 1.268 20 0 EDADLP CC(=O)Nc1nc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cs1 ZINC000424298299 252192538 /nfs/dbraw/zinc/19/25/38/252192538.db2.gz UIXWSXVKGQTROU-UHFFFAOYSA-N 2 2 346.460 1.738 20 0 EDADLP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000263229843 139329780 /nfs/dbraw/zinc/32/97/80/139329780.db2.gz NGQIQXHTPQQVSL-RDJZCZTQSA-N 2 2 347.846 1.984 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CC(F)(F)CN2)([NH+]2CCCCC2)CC1 ZINC000263288498 139333555 /nfs/dbraw/zinc/33/35/55/139333555.db2.gz VKFVYTZPBSGLDJ-CQSZACIVSA-N 2 2 344.450 1.050 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263316076 139335433 /nfs/dbraw/zinc/33/54/33/139335433.db2.gz ZKYHWOORUXWSBT-JKSUJKDBSA-N 2 2 337.414 1.664 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263316076 139335434 /nfs/dbraw/zinc/33/54/34/139335434.db2.gz ZKYHWOORUXWSBT-JKSUJKDBSA-N 2 2 337.414 1.664 20 0 EDADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000337377424 285145721 /nfs/dbraw/zinc/14/57/21/285145721.db2.gz BHXCJLCRWUIWJM-ULQDDVLXSA-N 2 2 325.497 1.724 20 0 EDADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000337377424 285145724 /nfs/dbraw/zinc/14/57/24/285145724.db2.gz BHXCJLCRWUIWJM-ULQDDVLXSA-N 2 2 325.497 1.724 20 0 EDADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415758720 304266652 /nfs/dbraw/zinc/26/66/52/304266652.db2.gz ISWOIJVBFVKRPN-ZSHCYNCHSA-N 2 2 338.367 1.146 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@@H+]3CCOC(C)(C)C3)cn2c1 ZINC000263793424 139360720 /nfs/dbraw/zinc/36/07/20/139360720.db2.gz YVACJHPDRLGIAI-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@H+]3CCOC(C)(C)C3)cn2c1 ZINC000263793424 139360721 /nfs/dbraw/zinc/36/07/21/139360721.db2.gz YVACJHPDRLGIAI-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCC1 ZINC000446844505 285235063 /nfs/dbraw/zinc/23/50/63/285235063.db2.gz UFUASEWZMQXWJH-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCC1 ZINC000446844505 285235068 /nfs/dbraw/zinc/23/50/68/285235068.db2.gz UFUASEWZMQXWJH-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000459805723 255003969 /nfs/dbraw/zinc/00/39/69/255003969.db2.gz LZDHLSUWJGXPBI-GJZGRUSLSA-N 2 2 341.496 1.449 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000459805723 255003971 /nfs/dbraw/zinc/00/39/71/255003971.db2.gz LZDHLSUWJGXPBI-GJZGRUSLSA-N 2 2 341.496 1.449 20 0 EDADLP C[NH+]1CCC(CNC(=O)/C=C/c2cnccn2)([NH+]2CCCCC2)CC1 ZINC000491927743 255155128 /nfs/dbraw/zinc/15/51/28/255155128.db2.gz DYGNBLFMCULVQC-AATRIKPKSA-N 2 2 343.475 1.556 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000493464099 255209991 /nfs/dbraw/zinc/20/99/91/255209991.db2.gz XVIPYTRPYKGBIY-AATRIKPKSA-N 2 2 343.406 1.500 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(CN3CC(C)(C)OC3=O)CC2)CC1 ZINC000494107304 255237447 /nfs/dbraw/zinc/23/74/47/255237447.db2.gz NVFSSWHLAJELGX-UHFFFAOYSA-N 2 2 338.496 1.665 20 0 EDADLP CN(C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000496116029 255354548 /nfs/dbraw/zinc/35/45/48/255354548.db2.gz UQSFSUVMVRHQSR-AWEZNQCLSA-N 2 2 338.452 1.817 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496174388 255360973 /nfs/dbraw/zinc/36/09/73/255360973.db2.gz WRQGRJJAOIEZIC-ILXRZTDVSA-N 2 2 329.485 1.677 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496174388 255360974 /nfs/dbraw/zinc/36/09/74/255360974.db2.gz WRQGRJJAOIEZIC-ILXRZTDVSA-N 2 2 329.485 1.677 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496174388 255360975 /nfs/dbraw/zinc/36/09/75/255360975.db2.gz WRQGRJJAOIEZIC-ILXRZTDVSA-N 2 2 329.485 1.677 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496174388 255360976 /nfs/dbraw/zinc/36/09/76/255360976.db2.gz WRQGRJJAOIEZIC-ILXRZTDVSA-N 2 2 329.485 1.677 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000263978743 139373668 /nfs/dbraw/zinc/37/36/68/139373668.db2.gz AMOBKFMQGCRTRH-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@H]1CCCN(C(=O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000119555077 221346762 /nfs/dbraw/zinc/34/67/62/221346762.db2.gz XTELYJDREJNAKZ-HTUJPFKRSA-N 2 2 348.535 1.488 20 0 EDADLP C[C@H]1CCCN(C(=O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000119555077 221346765 /nfs/dbraw/zinc/34/67/65/221346765.db2.gz XTELYJDREJNAKZ-HTUJPFKRSA-N 2 2 348.535 1.488 20 0 EDADLP C[C@H]1CCCN(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000119555077 221346769 /nfs/dbraw/zinc/34/67/69/221346769.db2.gz XTELYJDREJNAKZ-HTUJPFKRSA-N 2 2 348.535 1.488 20 0 EDADLP C[C@H]1CCCN(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000119555077 221346773 /nfs/dbraw/zinc/34/67/73/221346773.db2.gz XTELYJDREJNAKZ-HTUJPFKRSA-N 2 2 348.535 1.488 20 0 EDADLP COC[C@H](C)[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360764887 285366971 /nfs/dbraw/zinc/36/69/71/285366971.db2.gz QPZADVBIYIWXHU-ARFHVFGLSA-N 2 2 325.497 1.532 20 0 EDADLP COC[C@H](C)[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360764887 285366972 /nfs/dbraw/zinc/36/69/72/285366972.db2.gz QPZADVBIYIWXHU-ARFHVFGLSA-N 2 2 325.497 1.532 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCC[NH2+]C2CC2)c1 ZINC000415870196 304283047 /nfs/dbraw/zinc/28/30/47/304283047.db2.gz OMQWYJXRYKDQQU-UHFFFAOYSA-N 2 2 341.415 1.284 20 0 EDADLP C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000174243395 533606829 /nfs/dbraw/zinc/60/68/29/533606829.db2.gz OSXJEKYLATUYKP-YESZJQIVSA-N 2 2 338.496 1.223 20 0 EDADLP COC[C@@H](O)C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000571756505 306573538 /nfs/dbraw/zinc/57/35/38/306573538.db2.gz QVGHEWGNNNHTDC-ZDUSSCGKSA-N 2 2 342.237 1.545 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000270980292 140212700 /nfs/dbraw/zinc/21/27/00/140212700.db2.gz DTXXBJSTTLBWFC-UHFFFAOYSA-N 2 2 342.443 1.554 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271137252 140243852 /nfs/dbraw/zinc/24/38/52/140243852.db2.gz UJLYIYOFNQVGSA-HNNXBMFYSA-N 2 2 344.463 1.668 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271137252 140243854 /nfs/dbraw/zinc/24/38/54/140243854.db2.gz UJLYIYOFNQVGSA-HNNXBMFYSA-N 2 2 344.463 1.668 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000271420005 140293660 /nfs/dbraw/zinc/29/36/60/140293660.db2.gz BPAHKIGLZXMFKD-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)ccc2[nH+]1 ZINC000271612145 140320083 /nfs/dbraw/zinc/32/00/83/140320083.db2.gz HCKVTRGOQPBXSA-OAHLLOKOSA-N 2 2 339.399 1.054 20 0 EDADLP CN(C[C@H]1CCCC[C@H]1O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000305845093 140653412 /nfs/dbraw/zinc/65/34/12/140653412.db2.gz SKDWORKBZAWDSI-NVXWUHKLSA-N 2 2 340.512 1.205 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000331904015 141096115 /nfs/dbraw/zinc/09/61/15/141096115.db2.gz MCKSZVZIHROLRW-HZPDHXFCSA-N 2 2 342.443 1.708 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000331904015 141096116 /nfs/dbraw/zinc/09/61/16/141096116.db2.gz MCKSZVZIHROLRW-HZPDHXFCSA-N 2 2 342.443 1.708 20 0 EDADLP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331919925 141098387 /nfs/dbraw/zinc/09/83/87/141098387.db2.gz OBXMCRJYUCJSGH-PCKAHOCUSA-N 2 2 333.480 1.626 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc[nH+]1 ZINC000332446663 141183380 /nfs/dbraw/zinc/18/33/80/141183380.db2.gz DXUNIAFNSOXCBM-UKRRQHHQSA-N 2 2 332.452 1.099 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc[nH+]1 ZINC000332446663 141183381 /nfs/dbraw/zinc/18/33/81/141183381.db2.gz DXUNIAFNSOXCBM-UKRRQHHQSA-N 2 2 332.452 1.099 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000332557432 141203012 /nfs/dbraw/zinc/20/30/12/141203012.db2.gz OQQJZGQBJTZKBF-OOHWJJMZSA-N 2 2 331.464 1.740 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000333329778 141300635 /nfs/dbraw/zinc/30/06/35/141300635.db2.gz CKJJRKQDQCKZJT-CYBMUJFWSA-N 2 2 335.452 1.019 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000333329778 141300636 /nfs/dbraw/zinc/30/06/36/141300636.db2.gz CKJJRKQDQCKZJT-CYBMUJFWSA-N 2 2 335.452 1.019 20 0 EDADLP Cc1nc(N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c2c([nH+]1)CCCC2 ZINC000333473795 141323176 /nfs/dbraw/zinc/32/31/76/141323176.db2.gz BCTJWFBVAZLVJY-AWEZNQCLSA-N 2 2 327.436 1.556 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000333737749 141369841 /nfs/dbraw/zinc/36/98/41/141369841.db2.gz XEBVSNZJJSIQAJ-ZFWWWQNUSA-N 2 2 337.493 1.501 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000333737749 141369842 /nfs/dbraw/zinc/36/98/42/141369842.db2.gz XEBVSNZJJSIQAJ-ZFWWWQNUSA-N 2 2 337.493 1.501 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)C1CCOCC1 ZINC000333804083 141384487 /nfs/dbraw/zinc/38/44/87/141384487.db2.gz ONNWJBPUFCMDBI-HNNXBMFYSA-N 2 2 349.479 1.764 20 0 EDADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000333868116 141397656 /nfs/dbraw/zinc/39/76/56/141397656.db2.gz BFDRDZZDQRSULR-RCCFBDPRSA-N 2 2 343.475 1.297 20 0 EDADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@H](O)COC(C)C)CC2)c1 ZINC000572356231 306586303 /nfs/dbraw/zinc/58/63/03/306586303.db2.gz BQZRVZMLWVEUDF-FQEVSTJZSA-N 2 2 349.519 1.883 20 0 EDADLP CC(C)(C[NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000572397703 306587595 /nfs/dbraw/zinc/58/75/95/306587595.db2.gz IUGIUASEUZPQFA-UHFFFAOYSA-N 2 2 333.432 1.087 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CC[NH+](C)CC2)cc1 ZINC000339571566 142080361 /nfs/dbraw/zinc/08/03/61/142080361.db2.gz YARLUHXDUSQSIC-SFHVURJKSA-N 2 2 346.475 1.325 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000339775864 142152250 /nfs/dbraw/zinc/15/22/50/142152250.db2.gz JGVDRKJKTHEDBZ-INIZCTEOSA-N 2 2 331.460 1.619 20 0 EDADLP CC1(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC000340282236 142329036 /nfs/dbraw/zinc/32/90/36/142329036.db2.gz CQRPRETUAPIVFT-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000345027714 143041105 /nfs/dbraw/zinc/04/11/05/143041105.db2.gz JGSAPCNSOIWOFH-CABCVRRESA-N 2 2 335.452 1.281 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000345027714 143041106 /nfs/dbraw/zinc/04/11/06/143041106.db2.gz JGSAPCNSOIWOFH-CABCVRRESA-N 2 2 335.452 1.281 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345395561 143086089 /nfs/dbraw/zinc/08/60/89/143086089.db2.gz SKKHVDKMXOHRDX-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345395561 143086090 /nfs/dbraw/zinc/08/60/90/143086090.db2.gz SKKHVDKMXOHRDX-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000345514006 143100624 /nfs/dbraw/zinc/10/06/24/143100624.db2.gz LICPUUFYWSIXRB-UHFFFAOYSA-N 2 2 327.432 1.580 20 0 EDADLP C[C@H]1CN(C(=O)NCC[C@@H]2CCOC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000345844177 143139010 /nfs/dbraw/zinc/13/90/10/143139010.db2.gz CYIZCAFTRGBBGX-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NCC[C@@H]2CCOC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000345844177 143139011 /nfs/dbraw/zinc/13/90/11/143139011.db2.gz CYIZCAFTRGBBGX-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346202442 143178440 /nfs/dbraw/zinc/17/84/40/143178440.db2.gz JCEOKZVBCRCLKU-INIZCTEOSA-N 2 2 349.460 1.089 20 0 EDADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346202442 143178441 /nfs/dbraw/zinc/17/84/41/143178441.db2.gz JCEOKZVBCRCLKU-INIZCTEOSA-N 2 2 349.460 1.089 20 0 EDADLP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000346224423 143180591 /nfs/dbraw/zinc/18/05/91/143180591.db2.gz SFRBIIXNZXDZEH-MSOLQXFVSA-N 2 2 329.444 1.194 20 0 EDADLP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000346224423 143180592 /nfs/dbraw/zinc/18/05/92/143180592.db2.gz SFRBIIXNZXDZEH-MSOLQXFVSA-N 2 2 329.444 1.194 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000346246690 143183215 /nfs/dbraw/zinc/18/32/15/143183215.db2.gz UINZVKLQERGLHE-NSHDSACASA-N 2 2 330.366 1.680 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000346246690 143183216 /nfs/dbraw/zinc/18/32/16/143183216.db2.gz UINZVKLQERGLHE-NSHDSACASA-N 2 2 330.366 1.680 20 0 EDADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C[C@@H](C)C1 ZINC000346257148 143184305 /nfs/dbraw/zinc/18/43/05/143184305.db2.gz GSIKCKRGRVWOTB-NBMJBFSESA-N 2 2 349.519 1.819 20 0 EDADLP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346257148 143184306 /nfs/dbraw/zinc/18/43/06/143184306.db2.gz GSIKCKRGRVWOTB-NBMJBFSESA-N 2 2 349.519 1.819 20 0 EDADLP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346257148 143184307 /nfs/dbraw/zinc/18/43/07/143184307.db2.gz GSIKCKRGRVWOTB-NBMJBFSESA-N 2 2 349.519 1.819 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000346312071 143190489 /nfs/dbraw/zinc/19/04/89/143190489.db2.gz LLPIOFQEKSQMJX-FUHWJXTLSA-N 2 2 346.475 1.396 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000346312071 143190490 /nfs/dbraw/zinc/19/04/90/143190490.db2.gz LLPIOFQEKSQMJX-FUHWJXTLSA-N 2 2 346.475 1.396 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C(N)=O)[C@H](C)C3)c2cc1C ZINC000346585778 143219208 /nfs/dbraw/zinc/21/92/08/143219208.db2.gz MDSWRAYPNYQEHH-KFWWJZLASA-N 2 2 330.432 1.067 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C(N)=O)[C@H](C)C3)c2cc1C ZINC000346585778 143219209 /nfs/dbraw/zinc/21/92/09/143219209.db2.gz MDSWRAYPNYQEHH-KFWWJZLASA-N 2 2 330.432 1.067 20 0 EDADLP C[C@@H](CO)[N@@H+]1CCCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000346646471 143225997 /nfs/dbraw/zinc/22/59/97/143225997.db2.gz OCZZFUOTHWWTCW-KRWDZBQOSA-N 2 2 328.460 1.820 20 0 EDADLP C[C@@H](CO)[N@H+]1CCCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000346646471 143225998 /nfs/dbraw/zinc/22/59/98/143225998.db2.gz OCZZFUOTHWWTCW-KRWDZBQOSA-N 2 2 328.460 1.820 20 0 EDADLP CC(C)OC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346877125 143254986 /nfs/dbraw/zinc/25/49/86/143254986.db2.gz GSCUBSOGIJGXNL-NUJGCVRESA-N 2 2 338.496 1.521 20 0 EDADLP CC(C)OC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346877125 143254987 /nfs/dbraw/zinc/25/49/87/143254987.db2.gz GSCUBSOGIJGXNL-NUJGCVRESA-N 2 2 338.496 1.521 20 0 EDADLP CC(C)OC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346877125 143254988 /nfs/dbraw/zinc/25/49/88/143254988.db2.gz GSCUBSOGIJGXNL-NUJGCVRESA-N 2 2 338.496 1.521 20 0 EDADLP CC(C)OC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346877125 143254989 /nfs/dbraw/zinc/25/49/89/143254989.db2.gz GSCUBSOGIJGXNL-NUJGCVRESA-N 2 2 338.496 1.521 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)[C@H]2CCN(C3CC3)C2=O)CCC[NH+]1C ZINC000346885339 143256238 /nfs/dbraw/zinc/25/62/38/143256238.db2.gz NPVNLKNOEXYWCN-JCGIZDLHSA-N 2 2 345.491 1.498 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)[C@H]2CCN(C3CC3)C2=O)CCC[NH+]1C ZINC000346885339 143256239 /nfs/dbraw/zinc/25/62/39/143256239.db2.gz NPVNLKNOEXYWCN-JCGIZDLHSA-N 2 2 345.491 1.498 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)[C@H]2CCN(C3CC3)C2=O)CCC[N@@H+]1C ZINC000346885339 143256240 /nfs/dbraw/zinc/25/62/40/143256240.db2.gz NPVNLKNOEXYWCN-JCGIZDLHSA-N 2 2 345.491 1.498 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)[C@H]2CCN(C3CC3)C2=O)CCC[N@H+]1C ZINC000346885339 143256241 /nfs/dbraw/zinc/25/62/41/143256241.db2.gz NPVNLKNOEXYWCN-JCGIZDLHSA-N 2 2 345.491 1.498 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000347010617 143271138 /nfs/dbraw/zinc/27/11/38/143271138.db2.gz IUGHLZFMXAEEEB-HYVNUMGLSA-N 2 2 328.460 1.707 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000347046253 143276103 /nfs/dbraw/zinc/27/61/03/143276103.db2.gz JUKFNFGYDXOKRX-MRXNPFEDSA-N 2 2 343.431 1.392 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000347046253 143276104 /nfs/dbraw/zinc/27/61/04/143276104.db2.gz JUKFNFGYDXOKRX-MRXNPFEDSA-N 2 2 343.431 1.392 20 0 EDADLP COc1ccncc1C[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000347179831 143291736 /nfs/dbraw/zinc/29/17/36/143291736.db2.gz ZZNJFCVLJISYCB-CVEARBPZSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccncc1C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000347179831 143291737 /nfs/dbraw/zinc/29/17/37/143291737.db2.gz ZZNJFCVLJISYCB-CVEARBPZSA-N 2 2 347.438 1.868 20 0 EDADLP CCS(=O)(=O)N1CC[N@H+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000347327750 143309034 /nfs/dbraw/zinc/30/90/34/143309034.db2.gz XZPKUOTYYHJEDP-AWEZNQCLSA-N 2 2 328.482 1.328 20 0 EDADLP CCS(=O)(=O)N1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000347327750 143309035 /nfs/dbraw/zinc/30/90/35/143309035.db2.gz XZPKUOTYYHJEDP-AWEZNQCLSA-N 2 2 328.482 1.328 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCC[N@@H+]1C ZINC000347821050 143367086 /nfs/dbraw/zinc/36/70/86/143367086.db2.gz RBDFIAVOFOSFJZ-FVQBIDKESA-N 2 2 349.479 1.670 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CCC[N@H+]1C ZINC000347821050 143367087 /nfs/dbraw/zinc/36/70/87/143367087.db2.gz RBDFIAVOFOSFJZ-FVQBIDKESA-N 2 2 349.479 1.670 20 0 EDADLP CC(C)n1cc(CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nn1 ZINC000347884122 143374709 /nfs/dbraw/zinc/37/47/09/143374709.db2.gz QQGOZARIPGTBTG-UHFFFAOYSA-N 2 2 334.512 1.849 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H]1N1CCOCC1 ZINC000347912734 143378538 /nfs/dbraw/zinc/37/85/38/143378538.db2.gz FOSPZSFSMWEPDK-ZBFHGGJFSA-N 2 2 338.521 1.747 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C[C@@H]1N1CCOCC1 ZINC000347912734 143378539 /nfs/dbraw/zinc/37/85/39/143378539.db2.gz FOSPZSFSMWEPDK-ZBFHGGJFSA-N 2 2 338.521 1.747 20 0 EDADLP CC[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)C[C@@H]1[NH+]1CCOCC1 ZINC000347912734 143378540 /nfs/dbraw/zinc/37/85/40/143378540.db2.gz FOSPZSFSMWEPDK-ZBFHGGJFSA-N 2 2 338.521 1.747 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000416893954 304353772 /nfs/dbraw/zinc/35/37/72/304353772.db2.gz PZMLSDWHXDPFGK-KBPBESRZSA-N 2 2 333.823 1.906 20 0 EDADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)ccn1 ZINC000352776591 149161444 /nfs/dbraw/zinc/16/14/44/149161444.db2.gz SXPSIPQFOVBBRD-UHFFFAOYSA-N 3 2 349.504 1.830 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416897748 304354383 /nfs/dbraw/zinc/35/43/83/304354383.db2.gz AKDVOOVVRNRASK-CQDKDKBSSA-N 2 2 331.395 1.780 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000352819947 149180099 /nfs/dbraw/zinc/18/00/99/149180099.db2.gz OVDCBJRBAUARDC-RYRKJORJSA-N 2 2 348.491 1.616 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000352819947 149180101 /nfs/dbraw/zinc/18/01/01/149180101.db2.gz OVDCBJRBAUARDC-RYRKJORJSA-N 2 2 348.491 1.616 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000353260965 149343931 /nfs/dbraw/zinc/34/39/31/149343931.db2.gz PJAHQAPIBFXAHG-OAHLLOKOSA-N 2 2 343.475 1.759 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000353260965 149343933 /nfs/dbraw/zinc/34/39/33/149343933.db2.gz PJAHQAPIBFXAHG-OAHLLOKOSA-N 2 2 343.475 1.759 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000369930594 155240823 /nfs/dbraw/zinc/24/08/23/155240823.db2.gz ZZLUYLVVLUVZOV-QGZVFWFLSA-N 2 2 346.475 1.273 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000369930594 155240825 /nfs/dbraw/zinc/24/08/25/155240825.db2.gz ZZLUYLVVLUVZOV-QGZVFWFLSA-N 2 2 346.475 1.273 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000369930594 155240827 /nfs/dbraw/zinc/24/08/27/155240827.db2.gz ZZLUYLVVLUVZOV-QGZVFWFLSA-N 2 2 346.475 1.273 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000369930594 155240829 /nfs/dbraw/zinc/24/08/29/155240829.db2.gz ZZLUYLVVLUVZOV-QGZVFWFLSA-N 2 2 346.475 1.273 20 0 EDADLP CCn1cnnc1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573557176 306623953 /nfs/dbraw/zinc/62/39/53/306623953.db2.gz VKMZCXZQCRSDAN-AWEZNQCLSA-N 2 2 328.420 1.415 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000416975044 304358873 /nfs/dbraw/zinc/35/88/73/304358873.db2.gz NIJLAWMHDIHMPS-ZBFHGGJFSA-N 2 2 347.463 1.330 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000573630468 306627553 /nfs/dbraw/zinc/62/75/53/306627553.db2.gz SDBLZRWZUYGBMV-UHFFFAOYSA-N 2 2 347.385 1.977 20 0 EDADLP C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354951420 150052161 /nfs/dbraw/zinc/05/21/61/150052161.db2.gz OSXDZXIMPSHDDR-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354951420 150052163 /nfs/dbraw/zinc/05/21/63/150052163.db2.gz OSXDZXIMPSHDDR-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCCSC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355070273 150103027 /nfs/dbraw/zinc/10/30/27/150103027.db2.gz MLSXUQHZLOKHRE-GJZGRUSLSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCCSC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355070273 150103030 /nfs/dbraw/zinc/10/30/30/150103030.db2.gz MLSXUQHZLOKHRE-GJZGRUSLSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000355135960 150133574 /nfs/dbraw/zinc/13/35/74/150133574.db2.gz FDPAALLOZOWQIW-CVEARBPZSA-N 2 2 342.443 1.770 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)C1CC[NH+](CC(F)F)CC1 ZINC000355304828 150207740 /nfs/dbraw/zinc/20/77/40/150207740.db2.gz UGALZCSJEBEYIU-OAHLLOKOSA-N 2 2 347.450 1.317 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C1CC[NH+](CC(F)F)CC1 ZINC000355304828 150207745 /nfs/dbraw/zinc/20/77/45/150207745.db2.gz UGALZCSJEBEYIU-OAHLLOKOSA-N 2 2 347.450 1.317 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[C@H]1C ZINC000355585896 150325941 /nfs/dbraw/zinc/32/59/41/150325941.db2.gz ICQJZOJKXLHBCD-CVEARBPZSA-N 2 2 346.475 1.469 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[C@H]1C ZINC000355585896 150325943 /nfs/dbraw/zinc/32/59/43/150325943.db2.gz ICQJZOJKXLHBCD-CVEARBPZSA-N 2 2 346.475 1.469 20 0 EDADLP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000355733545 150379245 /nfs/dbraw/zinc/37/92/45/150379245.db2.gz LLUFVXOSXGJVOK-PMPSAXMXSA-N 2 2 325.497 1.580 20 0 EDADLP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000355733545 150379247 /nfs/dbraw/zinc/37/92/47/150379247.db2.gz LLUFVXOSXGJVOK-PMPSAXMXSA-N 2 2 325.497 1.580 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000355772894 150395551 /nfs/dbraw/zinc/39/55/51/150395551.db2.gz LKQORERSRJDVTL-INIZCTEOSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000355772894 150395554 /nfs/dbraw/zinc/39/55/54/150395554.db2.gz LKQORERSRJDVTL-INIZCTEOSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000355772894 150395556 /nfs/dbraw/zinc/39/55/56/150395556.db2.gz LKQORERSRJDVTL-INIZCTEOSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000355772894 150395559 /nfs/dbraw/zinc/39/55/59/150395559.db2.gz LKQORERSRJDVTL-INIZCTEOSA-N 2 2 349.479 1.036 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000357407936 151022771 /nfs/dbraw/zinc/02/27/71/151022771.db2.gz FXQKECVMXMPULD-CRAIPNDOSA-N 2 2 331.460 1.731 20 0 EDADLP COC(=O)c1cccc(OCC[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357650597 151101953 /nfs/dbraw/zinc/10/19/53/151101953.db2.gz PSNFHHRWMWZOJG-UHFFFAOYSA-N 2 2 336.432 1.241 20 0 EDADLP COC(=O)c1cccc(OCC[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357650597 151101955 /nfs/dbraw/zinc/10/19/55/151101955.db2.gz PSNFHHRWMWZOJG-UHFFFAOYSA-N 2 2 336.432 1.241 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357653116 151102769 /nfs/dbraw/zinc/10/27/69/151102769.db2.gz XCYMYDGFWYBPQH-OAHLLOKOSA-N 2 2 349.475 1.088 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357653116 151102770 /nfs/dbraw/zinc/10/27/70/151102770.db2.gz XCYMYDGFWYBPQH-OAHLLOKOSA-N 2 2 349.475 1.088 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc(=O)n2c1 ZINC000357743324 151134996 /nfs/dbraw/zinc/13/49/96/151134996.db2.gz FLXWUNOOAQXVJC-INIZCTEOSA-N 2 2 342.443 1.157 20 0 EDADLP Cc1ccc2nc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc(=O)n2c1 ZINC000357743324 151134998 /nfs/dbraw/zinc/13/49/98/151134998.db2.gz FLXWUNOOAQXVJC-INIZCTEOSA-N 2 2 342.443 1.157 20 0 EDADLP CC[N@H+](CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)C(C)C ZINC000357930808 151200500 /nfs/dbraw/zinc/20/05/00/151200500.db2.gz VDRHECSYWCCMJR-MRXNPFEDSA-N 2 2 348.495 1.423 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)C(C)C ZINC000357930808 151200503 /nfs/dbraw/zinc/20/05/03/151200503.db2.gz VDRHECSYWCCMJR-MRXNPFEDSA-N 2 2 348.495 1.423 20 0 EDADLP CC[NH+](CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)C(C)C ZINC000357930808 151200504 /nfs/dbraw/zinc/20/05/04/151200504.db2.gz VDRHECSYWCCMJR-MRXNPFEDSA-N 2 2 348.495 1.423 20 0 EDADLP CC[NH+](CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)C(C)C ZINC000357930808 151200506 /nfs/dbraw/zinc/20/05/06/151200506.db2.gz VDRHECSYWCCMJR-MRXNPFEDSA-N 2 2 348.495 1.423 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000358034561 151241431 /nfs/dbraw/zinc/24/14/31/151241431.db2.gz AAKZPLISEMNKGL-HNNXBMFYSA-N 2 2 344.459 1.826 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358049398 151247856 /nfs/dbraw/zinc/24/78/56/151247856.db2.gz RSAFAZAGGHLQHR-HNAYVOBHSA-N 3 2 344.503 1.550 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358049398 151247858 /nfs/dbraw/zinc/24/78/58/151247858.db2.gz RSAFAZAGGHLQHR-HNAYVOBHSA-N 3 2 344.503 1.550 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)C1 ZINC000358351171 151346835 /nfs/dbraw/zinc/34/68/35/151346835.db2.gz LBYMRBTYQPIRIS-DGCLKSJQSA-N 2 2 331.507 1.265 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)s2)C1 ZINC000358351171 151346836 /nfs/dbraw/zinc/34/68/36/151346836.db2.gz LBYMRBTYQPIRIS-DGCLKSJQSA-N 2 2 331.507 1.265 20 0 EDADLP [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417084197 304371240 /nfs/dbraw/zinc/37/12/40/304371240.db2.gz YJMXEJFRNCZVSI-QGZVFWFLSA-N 2 2 327.432 1.954 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000358678161 151457201 /nfs/dbraw/zinc/45/72/01/151457201.db2.gz HHCPSUDUHICTDV-QRQLOZEOSA-N 2 2 345.487 1.873 20 0 EDADLP CCN(CC(F)F)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000573970910 306639465 /nfs/dbraw/zinc/63/94/65/306639465.db2.gz OADBDZVERBIRPY-HNNXBMFYSA-N 2 2 336.386 1.915 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000370121234 155335880 /nfs/dbraw/zinc/33/58/80/155335880.db2.gz LNFSNTWCSQZSGS-CRAIPNDOSA-N 2 2 331.460 1.541 20 0 EDADLP CNC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000360854981 152230594 /nfs/dbraw/zinc/23/05/94/152230594.db2.gz DHSWCGMZPRUMPO-UHFFFAOYSA-N 2 2 330.476 1.940 20 0 EDADLP Cc1ccc([C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)c(C)c1 ZINC000370142623 155345963 /nfs/dbraw/zinc/34/59/63/155345963.db2.gz ZDJWFVMDLMABPW-IBGZPJMESA-N 2 2 345.487 1.841 20 0 EDADLP Cc1ccc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)c(C)c1 ZINC000370142623 155345965 /nfs/dbraw/zinc/34/59/65/155345965.db2.gz ZDJWFVMDLMABPW-IBGZPJMESA-N 2 2 345.487 1.841 20 0 EDADLP CC(C)NS(=O)(=O)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361349785 152368440 /nfs/dbraw/zinc/36/84/40/152368440.db2.gz YCJUJMZIZBDVLD-UHFFFAOYSA-N 2 2 345.431 1.321 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H](C)C[NH2+]C)[C@H]1CC12CC[NH2+]CC2 ZINC000370163759 155357720 /nfs/dbraw/zinc/35/77/20/155357720.db2.gz QHAODVUNYIHOBU-CABCVRRESA-N 3 2 333.480 1.229 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000370172969 155362647 /nfs/dbraw/zinc/36/26/47/155362647.db2.gz CLJJQSHJKNGMKQ-INIZCTEOSA-N 2 2 342.447 1.833 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)NC1CCCC1 ZINC000363765038 153049973 /nfs/dbraw/zinc/04/99/73/153049973.db2.gz YDMFTDMLXVQJSH-MXSMSXNCSA-N 2 2 337.508 1.913 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)NC1CCCC1 ZINC000363765038 153049975 /nfs/dbraw/zinc/04/99/75/153049975.db2.gz YDMFTDMLXVQJSH-MXSMSXNCSA-N 2 2 337.508 1.913 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCN1CC[NH+](C)CC1)C2 ZINC000364072702 153138399 /nfs/dbraw/zinc/13/83/99/153138399.db2.gz OMCKYNWPMXPJMW-CQSZACIVSA-N 2 2 333.480 1.002 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCN1CC[NH+](C)CC1)CC2 ZINC000364072702 153138401 /nfs/dbraw/zinc/13/84/01/153138401.db2.gz OMCKYNWPMXPJMW-CQSZACIVSA-N 2 2 333.480 1.002 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccc(F)cc1 ZINC000364253751 153187582 /nfs/dbraw/zinc/18/75/82/153187582.db2.gz GCBABMJRIIWUPO-CRAIPNDOSA-N 2 2 349.450 1.800 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000364423861 153232407 /nfs/dbraw/zinc/23/24/07/153232407.db2.gz WMSIFFZCBAGJHG-OWCLPIDISA-N 2 2 334.464 1.451 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000364423861 153232408 /nfs/dbraw/zinc/23/24/08/153232408.db2.gz WMSIFFZCBAGJHG-OWCLPIDISA-N 2 2 334.464 1.451 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364838564 153347592 /nfs/dbraw/zinc/34/75/92/153347592.db2.gz KQXGSABJCJGVEB-INIZCTEOSA-N 2 2 332.448 1.137 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364838564 153347594 /nfs/dbraw/zinc/34/75/94/153347594.db2.gz KQXGSABJCJGVEB-INIZCTEOSA-N 2 2 332.448 1.137 20 0 EDADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(S(N)(=O)=O)c1 ZINC000367617123 154200916 /nfs/dbraw/zinc/20/09/16/154200916.db2.gz JHZRNBUKMHYJGA-ZDUSSCGKSA-N 2 2 348.472 1.760 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367622620 154201793 /nfs/dbraw/zinc/20/17/93/154201793.db2.gz JKOPQIRAYNKKQV-ROUUACIJSA-N 2 2 344.503 1.973 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367622620 154201795 /nfs/dbraw/zinc/20/17/95/154201795.db2.gz JKOPQIRAYNKKQV-ROUUACIJSA-N 2 2 344.503 1.973 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H]1Cc2ccccc21 ZINC000367894461 154316491 /nfs/dbraw/zinc/31/64/91/154316491.db2.gz CZFIBEPHQPXOQX-QRQLOZEOSA-N 2 2 329.488 1.663 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000367894461 154316492 /nfs/dbraw/zinc/31/64/92/154316492.db2.gz CZFIBEPHQPXOQX-QRQLOZEOSA-N 2 2 329.488 1.663 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H]1Cc2ccccc21 ZINC000367894461 154316494 /nfs/dbraw/zinc/31/64/94/154316494.db2.gz CZFIBEPHQPXOQX-QRQLOZEOSA-N 2 2 329.488 1.663 20 0 EDADLP C[N@@H+](Cc1nnnn1CC(F)(F)F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368073856 154398396 /nfs/dbraw/zinc/39/83/96/154398396.db2.gz SXTSWOSJBJZPFQ-SNVBAGLBSA-N 2 2 329.330 1.126 20 0 EDADLP C[N@H+](Cc1nnnn1CC(F)(F)F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368073856 154398397 /nfs/dbraw/zinc/39/83/97/154398397.db2.gz SXTSWOSJBJZPFQ-SNVBAGLBSA-N 2 2 329.330 1.126 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000369483045 155054168 /nfs/dbraw/zinc/05/41/68/155054168.db2.gz GARYHWVNZPBYAA-MRXNPFEDSA-N 2 2 343.431 1.408 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000369483045 155054170 /nfs/dbraw/zinc/05/41/70/155054170.db2.gz GARYHWVNZPBYAA-MRXNPFEDSA-N 2 2 343.431 1.408 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369566451 155089891 /nfs/dbraw/zinc/08/98/91/155089891.db2.gz CPOPOVQXTOTLDU-BZUAXINKSA-N 2 2 333.480 1.865 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000369566451 155089893 /nfs/dbraw/zinc/08/98/93/155089893.db2.gz CPOPOVQXTOTLDU-BZUAXINKSA-N 2 2 333.480 1.865 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000369598857 155104198 /nfs/dbraw/zinc/10/41/98/155104198.db2.gz FHHGAYWLLVMBOR-IBGZPJMESA-N 2 2 347.459 1.017 20 0 EDADLP Cc1nc(N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c2c([nH+]1)CCCC2 ZINC000371624045 156034901 /nfs/dbraw/zinc/03/49/01/156034901.db2.gz HGPPMLLWOHLQBS-INIZCTEOSA-N 2 2 345.491 1.116 20 0 EDADLP O=C(CC[N@@H+]1CCO[C@@H](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372253138 156288675 /nfs/dbraw/zinc/28/86/75/156288675.db2.gz BFNGMZPVCBLQKR-QGZVFWFLSA-N 2 2 344.459 1.231 20 0 EDADLP O=C(CC[N@H+]1CCO[C@@H](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372253138 156288679 /nfs/dbraw/zinc/28/86/79/156288679.db2.gz BFNGMZPVCBLQKR-QGZVFWFLSA-N 2 2 344.459 1.231 20 0 EDADLP CC1=CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000372282168 156310576 /nfs/dbraw/zinc/31/05/76/156310576.db2.gz PUDHSSGQYACCBE-LJQANCHMSA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000372282168 156310580 /nfs/dbraw/zinc/31/05/80/156310580.db2.gz PUDHSSGQYACCBE-LJQANCHMSA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000372282168 156310585 /nfs/dbraw/zinc/31/05/85/156310585.db2.gz PUDHSSGQYACCBE-LJQANCHMSA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000372282168 156310588 /nfs/dbraw/zinc/31/05/88/156310588.db2.gz PUDHSSGQYACCBE-LJQANCHMSA-N 2 2 343.471 1.656 20 0 EDADLP C[C@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1cn[nH]c1 ZINC000372295164 156317287 /nfs/dbraw/zinc/31/72/87/156317287.db2.gz NFLAUOALQYSHPK-HNNXBMFYSA-N 2 2 349.479 1.212 20 0 EDADLP CCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]([NH3+])CCC(N)=O)c1 ZINC000373896142 157052598 /nfs/dbraw/zinc/05/25/98/157052598.db2.gz QLZYNPRGWCBPFO-CQSZACIVSA-N 2 2 329.404 1.491 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201370 157191603 /nfs/dbraw/zinc/19/16/03/157191603.db2.gz VDCRDLLQYVHBGL-CQSZACIVSA-N 2 2 336.436 1.293 20 0 EDADLP C[C@@H]1CN(c2nnnn2-c2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374257043 157215843 /nfs/dbraw/zinc/21/58/43/157215843.db2.gz PWBDYMYVSPUZNP-OAHLLOKOSA-N 2 2 341.463 1.267 20 0 EDADLP C[C@@H]1CN(c2nnnn2-c2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374257043 157215848 /nfs/dbraw/zinc/21/58/48/157215848.db2.gz PWBDYMYVSPUZNP-OAHLLOKOSA-N 2 2 341.463 1.267 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000374287041 157225972 /nfs/dbraw/zinc/22/59/72/157225972.db2.gz IYCCTTRPQDVDJU-IKGGRYGDSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N(C)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374327800 157245554 /nfs/dbraw/zinc/24/55/54/157245554.db2.gz XGJPXLFGMNNZBT-HKUYNNGSSA-N 2 2 344.503 1.607 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3cccnc3)CC2)CC1 ZINC000374480537 157303537 /nfs/dbraw/zinc/30/35/37/157303537.db2.gz JQSBZZIMMKQRBV-QGZVFWFLSA-N 2 2 344.503 1.889 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000374485140 157305203 /nfs/dbraw/zinc/30/52/03/157305203.db2.gz YYGKUJMIFSRMNY-OAHLLOKOSA-N 2 2 334.468 1.112 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)[C@H]2CCCCN12 ZINC000374506470 157310829 /nfs/dbraw/zinc/31/08/29/157310829.db2.gz PZCPYRZZYUTTEX-ZWKOTPCHSA-N 2 2 328.460 1.789 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2COc2ccc(F)cc2)CC1 ZINC000374618091 157346986 /nfs/dbraw/zinc/34/69/86/157346986.db2.gz FYMRSZLUESUSKZ-MRXNPFEDSA-N 2 2 335.423 1.443 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2COc2ccc(F)cc2)CC1 ZINC000374618091 157346991 /nfs/dbraw/zinc/34/69/91/157346991.db2.gz FYMRSZLUESUSKZ-MRXNPFEDSA-N 2 2 335.423 1.443 20 0 EDADLP C[N@H+](CC[C@H]1CCOC1=O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374750132 157386716 /nfs/dbraw/zinc/38/67/16/157386716.db2.gz LWBLANPIPYUASP-KRWDZBQOSA-N 2 2 331.460 1.974 20 0 EDADLP C[N@@H+](CC[C@H]1CCOC1=O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374750132 157386719 /nfs/dbraw/zinc/38/67/19/157386719.db2.gz LWBLANPIPYUASP-KRWDZBQOSA-N 2 2 331.460 1.974 20 0 EDADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000362480835 286630172 /nfs/dbraw/zinc/63/01/72/286630172.db2.gz APMVDCJLJQKDFI-GJZGRUSLSA-N 2 2 325.478 1.707 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C1CC1 ZINC000575847885 306672477 /nfs/dbraw/zinc/67/24/77/306672477.db2.gz RQDTTZANGAPDNG-OAHLLOKOSA-N 2 2 329.404 1.885 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)CCO2)CC1 ZINC000378171819 158099264 /nfs/dbraw/zinc/09/92/64/158099264.db2.gz TUBWCWOXIXXXIR-INIZCTEOSA-N 2 2 339.430 1.456 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)CCO2)CC1 ZINC000378171819 158099266 /nfs/dbraw/zinc/09/92/66/158099266.db2.gz TUBWCWOXIXXXIR-INIZCTEOSA-N 2 2 339.430 1.456 20 0 EDADLP C[NH+]1CCN(C2(CNC(=O)[C@@H]3CCCC[NH2+]3)CCCCCC2)CC1 ZINC000378205259 158108618 /nfs/dbraw/zinc/10/86/18/158108618.db2.gz ZXICHHDPATWVOA-KRWDZBQOSA-N 2 2 336.524 1.585 20 0 EDADLP C[C@H]1CN(C(=O)C[C@H](O)c2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378398290 158163258 /nfs/dbraw/zinc/16/32/58/158163258.db2.gz QFNLUYRYRKWFOL-LPHOPBHVSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@H]1CN(C(=O)C[C@H](O)c2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378398290 158163263 /nfs/dbraw/zinc/16/32/63/158163263.db2.gz QFNLUYRYRKWFOL-LPHOPBHVSA-N 2 2 345.487 1.737 20 0 EDADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c2ccccc21 ZINC000576108565 306678235 /nfs/dbraw/zinc/67/82/35/306678235.db2.gz FBZOYQTVQXNOKX-MAZHCROVSA-N 2 2 344.436 1.956 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000352135880 162002844 /nfs/dbraw/zinc/00/28/44/162002844.db2.gz ZGZBYGMIACBIPE-JKSUJKDBSA-N 2 2 349.479 1.084 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000352135880 162002847 /nfs/dbraw/zinc/00/28/47/162002847.db2.gz ZGZBYGMIACBIPE-JKSUJKDBSA-N 2 2 349.479 1.084 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000352135880 162002850 /nfs/dbraw/zinc/00/28/50/162002850.db2.gz ZGZBYGMIACBIPE-JKSUJKDBSA-N 2 2 349.479 1.084 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000352135880 162002852 /nfs/dbraw/zinc/00/28/52/162002852.db2.gz ZGZBYGMIACBIPE-JKSUJKDBSA-N 2 2 349.479 1.084 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000352149637 162014721 /nfs/dbraw/zinc/01/47/21/162014721.db2.gz UKBBHXJHLJUKFC-LZWOXQAQSA-N 2 2 334.464 1.369 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CCCc2[nH+]ccn21)[NH+]1CCOCC1 ZINC000352167251 162026098 /nfs/dbraw/zinc/02/60/98/162026098.db2.gz KSLLSZQKNBNLHB-HOTGVXAUSA-N 2 2 334.464 1.624 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000352188690 162037782 /nfs/dbraw/zinc/03/77/82/162037782.db2.gz HKYAAUIYKHMTRV-UHFFFAOYSA-N 2 2 328.482 1.323 20 0 EDADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352388539 162156109 /nfs/dbraw/zinc/15/61/09/162156109.db2.gz RLIYRELXWBOTDB-OAGGEKHMSA-N 2 2 332.510 1.025 20 0 EDADLP COC1(CO)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000352412735 162170054 /nfs/dbraw/zinc/17/00/54/162170054.db2.gz IJXZMDZLLCGCMG-UHFFFAOYSA-N 2 2 347.503 1.672 20 0 EDADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352495167 162211288 /nfs/dbraw/zinc/21/12/88/162211288.db2.gz JDVNDZMJLXPUQD-CVEARBPZSA-N 2 2 346.475 1.310 20 0 EDADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1cccc2ccccc21 ZINC000352495912 162212565 /nfs/dbraw/zinc/21/25/65/162212565.db2.gz PWIXUCCACYLBBH-QGZVFWFLSA-N 2 2 338.455 1.758 20 0 EDADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352505153 162217685 /nfs/dbraw/zinc/21/76/85/162217685.db2.gz YJQOLKSDGSWMEO-SJLPKXTDSA-N 2 2 346.475 1.392 20 0 EDADLP CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364231499 162321644 /nfs/dbraw/zinc/32/16/44/162321644.db2.gz MFLOAXXMQOSHPN-KRWDZBQOSA-N 2 2 330.476 1.997 20 0 EDADLP CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364231499 162321649 /nfs/dbraw/zinc/32/16/49/162321649.db2.gz MFLOAXXMQOSHPN-KRWDZBQOSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)OCO2 ZINC000364458762 162330147 /nfs/dbraw/zinc/33/01/47/162330147.db2.gz OMXIRWMODIHOIK-WBVHZDCISA-N 2 2 347.459 1.472 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(OCCO)CCOCC2)C1 ZINC000367067356 287146943 /nfs/dbraw/zinc/14/69/43/287146943.db2.gz QXGDINVLEDEPAO-PKOBYXMFSA-N 2 2 348.487 1.970 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(OCCO)CCOCC2)C1 ZINC000367067356 287146946 /nfs/dbraw/zinc/14/69/46/287146946.db2.gz QXGDINVLEDEPAO-PKOBYXMFSA-N 2 2 348.487 1.970 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502905 452269167 /nfs/dbraw/zinc/26/91/67/452269167.db2.gz UXWNXUPOEWVQGX-ZIAGYGMSSA-N 2 2 325.478 1.744 20 0 EDADLP CC[C@H](CCO)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000123075906 222210303 /nfs/dbraw/zinc/21/03/03/222210303.db2.gz OMTUQPHJSYJLMX-OAHLLOKOSA-N 2 2 340.512 1.253 20 0 EDADLP CO[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000123177677 222230481 /nfs/dbraw/zinc/23/04/81/222230481.db2.gz VOWRKOJXEGECKT-ROUUACIJSA-N 2 2 325.497 1.330 20 0 EDADLP CO[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000123177677 222230485 /nfs/dbraw/zinc/23/04/85/222230485.db2.gz VOWRKOJXEGECKT-ROUUACIJSA-N 2 2 325.497 1.330 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278687852 273266954 /nfs/dbraw/zinc/26/69/54/273266954.db2.gz PNCJIIQUAAFPQX-VIFPVBQESA-N 2 2 336.383 1.591 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262791049 273018032 /nfs/dbraw/zinc/01/80/32/273018032.db2.gz NFWOHWUTMAWIEP-ARFHVFGLSA-N 2 2 348.466 1.545 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C)c2)CC1 ZINC000275421625 268340492 /nfs/dbraw/zinc/34/04/92/268340492.db2.gz AAILKANTPNDVTG-SFHVURJKSA-N 2 2 344.459 1.383 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C)c2)CC1 ZINC000275421625 268340493 /nfs/dbraw/zinc/34/04/93/268340493.db2.gz AAILKANTPNDVTG-SFHVURJKSA-N 2 2 344.459 1.383 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000042898969 272910208 /nfs/dbraw/zinc/91/02/08/272910208.db2.gz KWHSWXRWSKBLGG-UHFFFAOYSA-N 2 2 342.447 1.632 20 0 EDADLP O=C1CCN(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000276286151 273157719 /nfs/dbraw/zinc/15/77/19/273157719.db2.gz SJJQLUXJPUUHIU-UHFFFAOYSA-N 2 2 331.460 1.355 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNc2nc3c(cnn3C)c(N)[nH+]2)C[C@H](C)O1 ZINC000276364692 273164135 /nfs/dbraw/zinc/16/41/35/273164135.db2.gz ZQKGZZHPZXVLEF-TXEJJXNPSA-N 2 2 333.440 1.247 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNc2nc3c(cnn3C)c(N)[nH+]2)C[C@H](C)O1 ZINC000276364692 273164137 /nfs/dbraw/zinc/16/41/37/273164137.db2.gz ZQKGZZHPZXVLEF-TXEJJXNPSA-N 2 2 333.440 1.247 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278687852 273266953 /nfs/dbraw/zinc/26/69/53/273266953.db2.gz PNCJIIQUAAFPQX-VIFPVBQESA-N 2 2 336.383 1.591 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000280088776 273344440 /nfs/dbraw/zinc/34/44/40/273344440.db2.gz YYMIICLADSJLIF-UHFFFAOYSA-N 2 2 340.431 1.637 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000280088776 273344441 /nfs/dbraw/zinc/34/44/41/273344441.db2.gz YYMIICLADSJLIF-UHFFFAOYSA-N 2 2 340.431 1.637 20 0 EDADLP COc1ccccc1-n1nccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000280418033 273360671 /nfs/dbraw/zinc/36/06/71/273360671.db2.gz BIRRMAHQCDHBPI-INIZCTEOSA-N 2 2 330.432 1.427 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3ccnn3C)n2c1 ZINC000284530986 274235246 /nfs/dbraw/zinc/23/52/46/274235246.db2.gz MLOSNSPGVOPQGE-RDTXWAMCSA-N 2 2 338.415 1.486 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3COc4ccccc4C3)C2)CC1 ZINC000369274842 277028050 /nfs/dbraw/zinc/02/80/50/277028050.db2.gz SPGMMYBGKUUHIL-DLBZAZTESA-N 2 2 343.471 1.522 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3COc4ccccc4C3)C2)CC1 ZINC000369274842 277028051 /nfs/dbraw/zinc/02/80/51/277028051.db2.gz SPGMMYBGKUUHIL-DLBZAZTESA-N 2 2 343.471 1.522 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCc4occc43)cn2)CC1 ZINC000133880213 277114710 /nfs/dbraw/zinc/11/47/10/277114710.db2.gz LWQOLRZWECXHRQ-MRXNPFEDSA-N 2 2 327.432 1.989 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000371044964 277206240 /nfs/dbraw/zinc/20/62/40/277206240.db2.gz QLPJDCGCJHVHPU-HNNXBMFYSA-N 2 2 349.479 1.420 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000155356665 277475848 /nfs/dbraw/zinc/47/58/48/277475848.db2.gz BEGFAYHQORGBMG-UHFFFAOYSA-N 2 2 334.420 1.267 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc[nH+]1 ZINC000333674363 277841904 /nfs/dbraw/zinc/84/19/04/277841904.db2.gz NRAKAGXRHXPDNI-LLDVTBCESA-N 2 2 331.464 1.890 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422878743 278044609 /nfs/dbraw/zinc/04/46/09/278044609.db2.gz KNFXCEIPXLBSNZ-APWZRJJASA-N 2 2 344.503 1.975 20 0 EDADLP CC[NH+](CC)CCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000367482543 279106451 /nfs/dbraw/zinc/10/64/51/279106451.db2.gz GDKVSDRXUQNUFN-OAHLLOKOSA-N 2 2 337.468 1.529 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000287610930 288276700 /nfs/dbraw/zinc/27/67/00/288276700.db2.gz ZJFRSFMEBFQJHS-CVEARBPZSA-N 2 2 347.463 1.388 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[NH2+]CC2CC2)[NH+]2CCOCC2)cc1 ZINC000165675315 280943720 /nfs/dbraw/zinc/94/37/20/280943720.db2.gz CUFPLSJGRWVIJT-GOSISDBHSA-N 2 2 331.460 1.484 20 0 EDADLP Cc1ccoc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000291877544 289203813 /nfs/dbraw/zinc/20/38/13/289203813.db2.gz ODQNDYSGWWGMBL-UHFFFAOYSA-N 2 2 334.464 1.946 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292053817 289250562 /nfs/dbraw/zinc/25/05/62/289250562.db2.gz BTZPXGKWORURAM-LJQANCHMSA-N 2 2 331.460 1.681 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292053817 289250565 /nfs/dbraw/zinc/25/05/65/289250565.db2.gz BTZPXGKWORURAM-LJQANCHMSA-N 2 2 331.460 1.681 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292053817 289250569 /nfs/dbraw/zinc/25/05/69/289250569.db2.gz BTZPXGKWORURAM-LJQANCHMSA-N 2 2 331.460 1.681 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292053817 289250572 /nfs/dbraw/zinc/25/05/72/289250572.db2.gz BTZPXGKWORURAM-LJQANCHMSA-N 2 2 331.460 1.681 20 0 EDADLP C[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)[N@@H+]1CCc2sccc2C1 ZINC000292412780 289340387 /nfs/dbraw/zinc/34/03/87/289340387.db2.gz MKSSBGXCURLNPJ-ZDUSSCGKSA-N 2 2 345.472 1.917 20 0 EDADLP C[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)[N@H+]1CCc2sccc2C1 ZINC000292412780 289340389 /nfs/dbraw/zinc/34/03/89/289340389.db2.gz MKSSBGXCURLNPJ-ZDUSSCGKSA-N 2 2 345.472 1.917 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](C)CC1)c1c(F)cccc1F ZINC000265273117 289355152 /nfs/dbraw/zinc/35/51/52/289355152.db2.gz VDLYDOMUFGLAMO-OAHLLOKOSA-N 2 2 340.418 1.915 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)c1c(F)cccc1F ZINC000265273117 289355155 /nfs/dbraw/zinc/35/51/55/289355155.db2.gz VDLYDOMUFGLAMO-OAHLLOKOSA-N 2 2 340.418 1.915 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2csc(CC[NH3+])n2)[C@@H](c2ccccc2)C1 ZINC000261747548 290033728 /nfs/dbraw/zinc/03/37/28/290033728.db2.gz OQQODMWUIDDNMA-OAHLLOKOSA-N 2 2 330.457 1.773 20 0 EDADLP C[N@H+]1CCN(C(=O)c2csc(CC[NH3+])n2)[C@@H](c2ccccc2)C1 ZINC000261747548 290033730 /nfs/dbraw/zinc/03/37/30/290033730.db2.gz OQQODMWUIDDNMA-OAHLLOKOSA-N 2 2 330.457 1.773 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337183779 297123459 /nfs/dbraw/zinc/12/34/59/297123459.db2.gz BXQQUMXHUYTHFQ-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337183779 297123461 /nfs/dbraw/zinc/12/34/61/297123461.db2.gz BXQQUMXHUYTHFQ-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337183779 297123462 /nfs/dbraw/zinc/12/34/62/297123462.db2.gz BXQQUMXHUYTHFQ-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337183779 297123464 /nfs/dbraw/zinc/12/34/64/297123464.db2.gz BXQQUMXHUYTHFQ-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN(C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337183779 297123466 /nfs/dbraw/zinc/12/34/66/297123466.db2.gz BXQQUMXHUYTHFQ-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN(C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000337183779 297123468 /nfs/dbraw/zinc/12/34/68/297123468.db2.gz BXQQUMXHUYTHFQ-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337183779 297123471 /nfs/dbraw/zinc/12/34/71/297123471.db2.gz BXQQUMXHUYTHFQ-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337183779 297123473 /nfs/dbraw/zinc/12/34/73/297123473.db2.gz BXQQUMXHUYTHFQ-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000354947744 297201673 /nfs/dbraw/zinc/20/16/73/297201673.db2.gz OFAMILKMTLDPNQ-WCXIOVBPSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000354947744 297201675 /nfs/dbraw/zinc/20/16/75/297201675.db2.gz OFAMILKMTLDPNQ-WCXIOVBPSA-N 2 2 337.508 1.817 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420373951 304753074 /nfs/dbraw/zinc/75/30/74/304753074.db2.gz ZQGZDNDAROVBBI-NSHDSACASA-N 2 2 327.450 1.826 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000456207910 447325232 /nfs/dbraw/zinc/32/52/32/447325232.db2.gz HTCYLRPUOCRLFO-BBWFWOEESA-N 2 2 333.476 1.420 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000456207910 447325238 /nfs/dbraw/zinc/32/52/38/447325238.db2.gz HTCYLRPUOCRLFO-BBWFWOEESA-N 2 2 333.476 1.420 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000456207910 447325242 /nfs/dbraw/zinc/32/52/42/447325242.db2.gz HTCYLRPUOCRLFO-BBWFWOEESA-N 2 2 333.476 1.420 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000456207910 447325247 /nfs/dbraw/zinc/32/52/47/447325247.db2.gz HTCYLRPUOCRLFO-BBWFWOEESA-N 2 2 333.476 1.420 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1(C)C ZINC000333930079 302999963 /nfs/dbraw/zinc/99/99/63/302999963.db2.gz YTXOFBVRXCAJTL-BARDWOONSA-N 2 2 331.464 1.901 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000294246878 303082830 /nfs/dbraw/zinc/08/28/30/303082830.db2.gz XTDIOJDLGQDUBJ-UHFFFAOYSA-N 2 2 325.376 1.278 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000294350149 303095638 /nfs/dbraw/zinc/09/56/38/303095638.db2.gz UQLXBBBXQHTZDG-HZPDHXFCSA-N 2 2 348.447 1.267 20 0 EDADLP Cc1ccnc(-c2noc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)n2)c1 ZINC000295205839 303188362 /nfs/dbraw/zinc/18/83/62/303188362.db2.gz OFXPMYQCTWPPGC-UHFFFAOYSA-N 2 2 346.479 1.755 20 0 EDADLP Cc1ccnc(-c2noc(C[N@H+](C)CCCN(C)CC[NH+](C)C)n2)c1 ZINC000295205839 303188363 /nfs/dbraw/zinc/18/83/63/303188363.db2.gz OFXPMYQCTWPPGC-UHFFFAOYSA-N 2 2 346.479 1.755 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)c1 ZINC000295232191 303192090 /nfs/dbraw/zinc/19/20/90/303192090.db2.gz CXWNXMKLYBTZRQ-UHFFFAOYSA-N 2 2 337.374 1.874 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000295248371 303194236 /nfs/dbraw/zinc/19/42/36/303194236.db2.gz UABARQGVUJPWMC-CABCVRRESA-N 2 2 339.505 1.968 20 0 EDADLP CCn1nc(C)c(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)n1 ZINC000295710374 303256052 /nfs/dbraw/zinc/25/60/52/303256052.db2.gz MWSLCYAJAGNATJ-OAHLLOKOSA-N 2 2 329.452 1.754 20 0 EDADLP COc1nccnc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000295871413 303277816 /nfs/dbraw/zinc/27/78/16/303277816.db2.gz XIAAWSPXIOXAIB-CQSZACIVSA-N 2 2 328.420 1.633 20 0 EDADLP COC(=O)COC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000296470960 303318868 /nfs/dbraw/zinc/31/88/68/303318868.db2.gz PLHAHHKBXNALSI-HNNXBMFYSA-N 2 2 336.432 1.187 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000297989589 303481907 /nfs/dbraw/zinc/48/19/07/303481907.db2.gz XGBNKISENOHATR-OAHLLOKOSA-N 2 2 349.479 1.306 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298455907 303525435 /nfs/dbraw/zinc/52/54/35/303525435.db2.gz ODOCUGQHJHAIBW-UHFFFAOYSA-N 2 2 337.489 1.653 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299264240 303599658 /nfs/dbraw/zinc/59/96/58/303599658.db2.gz LORJCHZFPTWDOP-TZMCWYRMSA-N 2 2 329.404 1.262 20 0 EDADLP Cn1ncc2c1ncnc2NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000301450961 303679265 /nfs/dbraw/zinc/67/92/65/303679265.db2.gz LJKLZLWNLYEFCO-UHFFFAOYSA-N 2 2 343.479 1.726 20 0 EDADLP Cc1ccc([C@@H](CNc2cc[nH+]cc2C(N)=O)[NH+]2CCOCC2)cc1 ZINC000302209426 303718134 /nfs/dbraw/zinc/71/81/34/303718134.db2.gz FWXPPSLZPBPSOU-GOSISDBHSA-N 2 2 340.427 1.974 20 0 EDADLP C[C@@H](O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000304018925 303748222 /nfs/dbraw/zinc/74/82/22/303748222.db2.gz XKMQZEFQOFOCJW-OAHLLOKOSA-N 2 2 335.448 1.017 20 0 EDADLP Cc1c(Cl)c(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)nn1C ZINC000421334537 304799715 /nfs/dbraw/zinc/79/97/15/304799715.db2.gz QATJLWFTTQMBOK-HNNXBMFYSA-N 2 2 327.904 1.744 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCn1cc(Br)cn1 ZINC000423082871 304884773 /nfs/dbraw/zinc/88/47/73/304884773.db2.gz DYGZRYOILPILSR-TZMCWYRMSA-N 2 2 345.285 1.782 20 0 EDADLP FC(F)(F)c1cccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000423132516 304888048 /nfs/dbraw/zinc/88/80/48/304888048.db2.gz PJQVKNPLPJYMNZ-ZFWWWQNUSA-N 2 2 329.366 2.000 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000423377399 304893971 /nfs/dbraw/zinc/89/39/71/304893971.db2.gz YQWZFCFEFUHEAZ-RHSMWYFYSA-N 2 2 341.521 1.089 20 0 EDADLP O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423847597 304912177 /nfs/dbraw/zinc/91/21/77/304912177.db2.gz QKSPOXGPORFJET-CQSZACIVSA-N 2 2 336.399 1.807 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000429018483 305022743 /nfs/dbraw/zinc/02/27/43/305022743.db2.gz ILFRYYINOUXLLP-LJQANCHMSA-N 2 2 326.444 1.651 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000429018483 305022744 /nfs/dbraw/zinc/02/27/44/305022744.db2.gz ILFRYYINOUXLLP-LJQANCHMSA-N 2 2 326.444 1.651 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000429018483 305022745 /nfs/dbraw/zinc/02/27/45/305022745.db2.gz ILFRYYINOUXLLP-LJQANCHMSA-N 2 2 326.444 1.651 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000429018483 305022746 /nfs/dbraw/zinc/02/27/46/305022746.db2.gz ILFRYYINOUXLLP-LJQANCHMSA-N 2 2 326.444 1.651 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000429527841 305031406 /nfs/dbraw/zinc/03/14/06/305031406.db2.gz HNHHPQDOCHJBHH-SJORKVTESA-N 2 2 331.460 1.522 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000429527841 305031407 /nfs/dbraw/zinc/03/14/07/305031407.db2.gz HNHHPQDOCHJBHH-SJORKVTESA-N 2 2 331.460 1.522 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)c1OC ZINC000430575120 305056815 /nfs/dbraw/zinc/05/68/15/305056815.db2.gz JWAOYKFQGJKHJE-GOSISDBHSA-N 2 2 337.464 1.625 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430615323 305059112 /nfs/dbraw/zinc/05/91/12/305059112.db2.gz BHWNXZKXERUFPA-HRCADAONSA-N 2 2 347.459 1.263 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000430615323 305059113 /nfs/dbraw/zinc/05/91/13/305059113.db2.gz BHWNXZKXERUFPA-HRCADAONSA-N 2 2 347.459 1.263 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430647724 305061304 /nfs/dbraw/zinc/06/13/04/305061304.db2.gz QLGFQXIBRVCXIF-SJORKVTESA-N 3 2 345.491 1.322 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430647724 305061305 /nfs/dbraw/zinc/06/13/05/305061305.db2.gz QLGFQXIBRVCXIF-SJORKVTESA-N 3 2 345.491 1.322 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[NH2+]CC2CC2)cc1 ZINC000430834178 305065517 /nfs/dbraw/zinc/06/55/17/305065517.db2.gz BDNMBAAPMLBRRH-SFHVURJKSA-N 2 2 331.460 1.484 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000430849514 305066013 /nfs/dbraw/zinc/06/60/13/305066013.db2.gz GUVDSNSUMYFHBE-WMLDXEAASA-N 2 2 335.448 1.168 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000430849514 305066014 /nfs/dbraw/zinc/06/60/14/305066014.db2.gz GUVDSNSUMYFHBE-WMLDXEAASA-N 2 2 335.448 1.168 20 0 EDADLP C[C@@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000430877384 305066751 /nfs/dbraw/zinc/06/67/51/305066751.db2.gz XJYFXOUNAJEFST-HOTGVXAUSA-N 2 2 349.479 1.180 20 0 EDADLP CC(C)([NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000430904737 305067497 /nfs/dbraw/zinc/06/74/97/305067497.db2.gz VHYCYYBUMIJOAC-UHFFFAOYSA-N 2 2 326.404 1.999 20 0 EDADLP C[C@H]1C[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000430952267 305070346 /nfs/dbraw/zinc/07/03/46/305070346.db2.gz YLAXTDNRVKVUTE-BBRMVZONSA-N 2 2 326.462 1.528 20 0 EDADLP C[C@H]1C[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000430952267 305070347 /nfs/dbraw/zinc/07/03/47/305070347.db2.gz YLAXTDNRVKVUTE-BBRMVZONSA-N 2 2 326.462 1.528 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000430959008 305070808 /nfs/dbraw/zinc/07/08/08/305070808.db2.gz VIUCTDMRJVEVNS-GOSISDBHSA-N 3 2 344.503 1.181 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000430959008 305070809 /nfs/dbraw/zinc/07/08/09/305070809.db2.gz VIUCTDMRJVEVNS-GOSISDBHSA-N 3 2 344.503 1.181 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000430999500 305072472 /nfs/dbraw/zinc/07/24/72/305072472.db2.gz LDYSGZRSOKMOAW-CQSZACIVSA-N 2 2 345.447 1.504 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000430999500 305072473 /nfs/dbraw/zinc/07/24/73/305072473.db2.gz LDYSGZRSOKMOAW-CQSZACIVSA-N 2 2 345.447 1.504 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[NH+]1CCOCC1 ZINC000433376125 305106807 /nfs/dbraw/zinc/10/68/07/305106807.db2.gz QZHPHLOWXHMWOY-NJAFHUGGSA-N 2 2 346.475 1.254 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[NH+]1CCOCC1 ZINC000433376125 305106808 /nfs/dbraw/zinc/10/68/08/305106808.db2.gz QZHPHLOWXHMWOY-NJAFHUGGSA-N 2 2 346.475 1.254 20 0 EDADLP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434495826 305123630 /nfs/dbraw/zinc/12/36/30/305123630.db2.gz ZJEZJKIKYAGPEP-HOTGVXAUSA-N 2 2 341.521 1.993 20 0 EDADLP CCOCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434495826 305123631 /nfs/dbraw/zinc/12/36/31/305123631.db2.gz ZJEZJKIKYAGPEP-HOTGVXAUSA-N 2 2 341.521 1.993 20 0 EDADLP CCOCC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000434495826 305123632 /nfs/dbraw/zinc/12/36/32/305123632.db2.gz ZJEZJKIKYAGPEP-HOTGVXAUSA-N 2 2 341.521 1.993 20 0 EDADLP CCOCC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000434495826 305123633 /nfs/dbraw/zinc/12/36/33/305123633.db2.gz ZJEZJKIKYAGPEP-HOTGVXAUSA-N 2 2 341.521 1.993 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cnccn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435558441 305142254 /nfs/dbraw/zinc/14/22/54/305142254.db2.gz FKCFNWZUGXVKSF-OAHLLOKOSA-N 2 2 340.431 1.478 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)COC1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435563749 305142444 /nfs/dbraw/zinc/14/24/44/305142444.db2.gz NKRNSUDQEJMADQ-INIZCTEOSA-N 2 2 346.475 1.850 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)NC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435683189 305145227 /nfs/dbraw/zinc/14/52/27/305145227.db2.gz PQUOPULDDZKFQN-OAHLLOKOSA-N 2 2 331.464 1.126 20 0 EDADLP CN(CC1CC1)C(=O)CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435696113 305145534 /nfs/dbraw/zinc/14/55/34/305145534.db2.gz TZVPPQLGSXGNLT-INIZCTEOSA-N 2 2 345.491 1.233 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)c1 ZINC000435725302 305146451 /nfs/dbraw/zinc/14/64/51/305146451.db2.gz WWEHACPUKPRCQL-MRXNPFEDSA-N 2 2 344.415 1.100 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000436063653 305151923 /nfs/dbraw/zinc/15/19/23/305151923.db2.gz YAUFUADINVXRAB-ZDUSSCGKSA-N 2 2 349.460 1.618 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000436063653 305151924 /nfs/dbraw/zinc/15/19/24/305151924.db2.gz YAUFUADINVXRAB-ZDUSSCGKSA-N 2 2 349.460 1.618 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000438833498 305189656 /nfs/dbraw/zinc/18/96/56/305189656.db2.gz XLJHCUJCRCSSNO-SFHVURJKSA-N 2 2 329.448 1.679 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H]1CO ZINC000442890226 305230589 /nfs/dbraw/zinc/23/05/89/305230589.db2.gz NWGDXBPAYSRCOU-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@H]1CO ZINC000442890226 305230590 /nfs/dbraw/zinc/23/05/90/305230590.db2.gz NWGDXBPAYSRCOU-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000446818113 305271006 /nfs/dbraw/zinc/27/10/06/305271006.db2.gz OXHLJOAXOUHLEA-IAGOWNOFSA-N 2 2 341.459 1.676 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000446818113 305271007 /nfs/dbraw/zinc/27/10/07/305271007.db2.gz OXHLJOAXOUHLEA-IAGOWNOFSA-N 2 2 341.459 1.676 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]2CO)cn1 ZINC000446907866 305271710 /nfs/dbraw/zinc/27/17/10/305271710.db2.gz ZNJWEWZXXPRRRU-YOEHRIQHSA-N 2 2 343.456 1.875 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]2CO)cn1 ZINC000446907866 305271711 /nfs/dbraw/zinc/27/17/11/305271711.db2.gz ZNJWEWZXXPRRRU-YOEHRIQHSA-N 2 2 343.456 1.875 20 0 EDADLP COc1cc(F)cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000449114496 305307075 /nfs/dbraw/zinc/30/70/75/305307075.db2.gz ZNYKFRMIOJWRQE-QGZVFWFLSA-N 2 2 337.439 1.867 20 0 EDADLP COc1cc(F)cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000449114496 305307076 /nfs/dbraw/zinc/30/70/76/305307076.db2.gz ZNYKFRMIOJWRQE-QGZVFWFLSA-N 2 2 337.439 1.867 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@@H]3C[N@H+](C)CCN3C)cn2)cc1 ZINC000449142618 305307576 /nfs/dbraw/zinc/30/75/76/305307576.db2.gz TYXIGKYSPSQDRU-QGZVFWFLSA-N 2 2 329.448 1.216 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@@H]3C[N@@H+](C)CCN3C)cn2)cc1 ZINC000449142618 305307577 /nfs/dbraw/zinc/30/75/77/305307577.db2.gz TYXIGKYSPSQDRU-QGZVFWFLSA-N 2 2 329.448 1.216 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449147644 305308009 /nfs/dbraw/zinc/30/80/09/305308009.db2.gz HPEHYXBQVRIJGO-UHFFFAOYSA-N 2 2 331.460 1.913 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000449173260 305308672 /nfs/dbraw/zinc/30/86/72/305308672.db2.gz WYYUWQFADFHNHT-QZTJIDSGSA-N 2 2 343.475 1.579 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000449173260 305308673 /nfs/dbraw/zinc/30/86/73/305308673.db2.gz WYYUWQFADFHNHT-QZTJIDSGSA-N 2 2 343.475 1.579 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449347247 305312024 /nfs/dbraw/zinc/31/20/24/305312024.db2.gz PXYORUJRPMTUPP-LJQANCHMSA-N 2 2 331.460 1.145 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449347247 305312025 /nfs/dbraw/zinc/31/20/25/305312025.db2.gz PXYORUJRPMTUPP-LJQANCHMSA-N 2 2 331.460 1.145 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 ZINC000451507346 305350180 /nfs/dbraw/zinc/35/01/80/305350180.db2.gz VGHGJPRQGITLCO-ROUUACIJSA-N 2 2 345.487 1.734 20 0 EDADLP CCO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C ZINC000451537891 305351998 /nfs/dbraw/zinc/35/19/98/305351998.db2.gz IVCBSYJZECSJHK-AEFFLSMTSA-N 2 2 349.475 1.671 20 0 EDADLP CCO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C ZINC000451537891 305351999 /nfs/dbraw/zinc/35/19/99/305351999.db2.gz IVCBSYJZECSJHK-AEFFLSMTSA-N 2 2 349.475 1.671 20 0 EDADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1(C)C ZINC000451573482 305354464 /nfs/dbraw/zinc/35/44/64/305354464.db2.gz YDVMRTARLBUJSP-KRWDZBQOSA-N 2 2 349.475 1.671 20 0 EDADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1(C)C ZINC000451573482 305354465 /nfs/dbraw/zinc/35/44/65/305354465.db2.gz YDVMRTARLBUJSP-KRWDZBQOSA-N 2 2 349.475 1.671 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(-c3ccco3)no2)CC1 ZINC000451988813 305376516 /nfs/dbraw/zinc/37/65/16/305376516.db2.gz PTOZQVINTFDDRG-UHFFFAOYSA-N 2 2 333.436 1.835 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000454264180 305421348 /nfs/dbraw/zinc/42/13/48/305421348.db2.gz LKBUQBAMJHXHBG-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)/C=C/C[NH+](C)C)c[nH+]2)C[C@H](C)O1 ZINC000491873475 305579718 /nfs/dbraw/zinc/57/97/18/305579718.db2.gz ULCGVWCIOZVALD-FKZIUMHTSA-N 2 2 332.448 1.429 20 0 EDADLP Cc1cccc([C@H](CNC(=O)/C=C\C[NH+](C)C)[NH+]2CCOCC2)c1 ZINC000491881290 305580094 /nfs/dbraw/zinc/58/00/94/305580094.db2.gz GOHIDIQXJMYDQV-MTIYJEKLSA-N 2 2 331.460 1.602 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000516462934 305737104 /nfs/dbraw/zinc/73/71/04/305737104.db2.gz QGUJTTZXRWDHKF-AWEZNQCLSA-N 2 2 326.404 1.124 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000521924108 305795380 /nfs/dbraw/zinc/79/53/80/305795380.db2.gz DYXWRISYAWADQY-DOTOQJQBSA-N 2 2 328.416 1.394 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000533089047 305995493 /nfs/dbraw/zinc/99/54/93/305995493.db2.gz RTTNWTBUOQXNPU-AWEZNQCLSA-N 2 2 334.464 1.451 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000533736232 306002706 /nfs/dbraw/zinc/00/27/06/306002706.db2.gz DRIQPUBPDCVFJQ-CQSZACIVSA-N 2 2 342.447 1.695 20 0 EDADLP CC(C)CO[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535985948 306018773 /nfs/dbraw/zinc/01/87/73/306018773.db2.gz VGIDBDUUOXVEHX-HRBLRVMOSA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)CO[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000535985948 306018774 /nfs/dbraw/zinc/01/87/74/306018774.db2.gz VGIDBDUUOXVEHX-HRBLRVMOSA-N 2 2 337.508 1.817 20 0 EDADLP Cc1nc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)no1 ZINC000538045934 306029951 /nfs/dbraw/zinc/02/99/51/306029951.db2.gz RFBOEHORBJONOK-KBPBESRZSA-N 2 2 338.452 1.468 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000539703782 306035894 /nfs/dbraw/zinc/03/58/94/306035894.db2.gz CCWYODOSMHPGJR-QGZVFWFLSA-N 2 2 345.491 1.954 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000539703782 306035895 /nfs/dbraw/zinc/03/58/95/306035895.db2.gz CCWYODOSMHPGJR-QGZVFWFLSA-N 2 2 345.491 1.954 20 0 EDADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000541423795 306045586 /nfs/dbraw/zinc/04/55/86/306045586.db2.gz WHXRXEXVLYHJPP-QGZVFWFLSA-N 2 2 328.416 1.266 20 0 EDADLP C[C@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[NH+]1CCCCC1 ZINC000543381163 306063328 /nfs/dbraw/zinc/06/33/28/306063328.db2.gz DUZAQLWZELGAGT-CQSZACIVSA-N 2 2 328.420 1.657 20 0 EDADLP Cc1cc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c(C)c[nH+]1 ZINC000546743192 306096013 /nfs/dbraw/zinc/09/60/13/306096013.db2.gz ZELONRQRTCTYQR-UHFFFAOYSA-N 2 2 333.480 1.658 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547654654 306106785 /nfs/dbraw/zinc/10/67/85/306106785.db2.gz VSPXYZQHZXJWQZ-JSGCOSHPSA-N 2 2 334.445 1.457 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000548155980 306120881 /nfs/dbraw/zinc/12/08/81/306120881.db2.gz CLHGPXDLXIUEHH-UHFFFAOYSA-N 2 2 327.388 1.289 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(OCC3CCCCC3)CC2)CC1 ZINC000552812946 306181396 /nfs/dbraw/zinc/18/13/96/306181396.db2.gz MNWYOTQXGLHJLB-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP CC1(C)C[N@@H+](C2(CNC(=O)Cn3cc[nH+]c3)CCCCC2)CCO1 ZINC000555224114 306200451 /nfs/dbraw/zinc/20/04/51/306200451.db2.gz FJCOSCNCADILHU-UHFFFAOYSA-N 2 2 334.464 1.813 20 0 EDADLP CC1(C)C[N@H+](C2(CNC(=O)Cn3cc[nH+]c3)CCCCC2)CCO1 ZINC000555224114 306200452 /nfs/dbraw/zinc/20/04/52/306200452.db2.gz FJCOSCNCADILHU-UHFFFAOYSA-N 2 2 334.464 1.813 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000556675610 306213361 /nfs/dbraw/zinc/21/33/61/306213361.db2.gz YSHGHCXUPBMTQT-OAHLLOKOSA-N 2 2 339.443 1.505 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000556758916 306216107 /nfs/dbraw/zinc/21/61/07/306216107.db2.gz MNUXLOOLNNGCCH-QAPCUYQASA-N 2 2 331.464 1.999 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000556758916 306216108 /nfs/dbraw/zinc/21/61/08/306216108.db2.gz MNUXLOOLNNGCCH-QAPCUYQASA-N 2 2 331.464 1.999 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000556781515 306217823 /nfs/dbraw/zinc/21/78/23/306217823.db2.gz ZXCNMWPKDAKPLQ-NVXWUHKLSA-N 2 2 332.448 1.976 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000556781515 306217824 /nfs/dbraw/zinc/21/78/24/306217824.db2.gz ZXCNMWPKDAKPLQ-NVXWUHKLSA-N 2 2 332.448 1.976 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2nc3ccccc3n2C2CC2)[C@@H](C[NH3+])C1 ZINC000557181564 306225569 /nfs/dbraw/zinc/22/55/69/306225569.db2.gz XASSQAHAWVGWSS-AWEZNQCLSA-N 2 2 342.447 1.156 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2nc3ccccc3n2C2CC2)[C@@H](C[NH3+])C1 ZINC000557181564 306225570 /nfs/dbraw/zinc/22/55/70/306225570.db2.gz XASSQAHAWVGWSS-AWEZNQCLSA-N 2 2 342.447 1.156 20 0 EDADLP Cn1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c(-c2ccccc2Cl)n1 ZINC000414962338 447375349 /nfs/dbraw/zinc/37/53/49/447375349.db2.gz JOJOKKIZUZWPBA-CQSZACIVSA-N 2 2 333.867 1.734 20 0 EDADLP CN1CC[NH2+]C[C@@H]1CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414966838 447377085 /nfs/dbraw/zinc/37/70/85/447377085.db2.gz ANILWLAAZUPFFF-QGZVFWFLSA-N 2 2 336.911 1.798 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000414966838 447377086 /nfs/dbraw/zinc/37/70/86/447377086.db2.gz ANILWLAAZUPFFF-QGZVFWFLSA-N 2 2 336.911 1.798 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414978807 447383122 /nfs/dbraw/zinc/38/31/22/447383122.db2.gz SMXSAXZOFNHUQO-LJQANCHMSA-N 3 2 334.483 1.326 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000419738831 447384470 /nfs/dbraw/zinc/38/44/70/447384470.db2.gz YVZLTBLUWPMZHH-QGZVFWFLSA-N 2 2 331.464 1.887 20 0 EDADLP CO[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C12CCC2 ZINC000458577389 447418432 /nfs/dbraw/zinc/41/84/32/447418432.db2.gz DGXYBYMSQXITLA-JKSUJKDBSA-N 2 2 338.496 1.269 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378362831 447422634 /nfs/dbraw/zinc/42/26/34/447422634.db2.gz IXJVLZUOLKIKHY-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378362831 447422640 /nfs/dbraw/zinc/42/26/40/447422640.db2.gz IXJVLZUOLKIKHY-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000458593276 447425022 /nfs/dbraw/zinc/42/50/22/447425022.db2.gz MIFCBGMNYYEJNS-MSOLQXFVSA-N 2 2 334.508 1.842 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415432613 447434530 /nfs/dbraw/zinc/43/45/30/447434530.db2.gz GBDPVYJVWSQASY-CQSZACIVSA-N 2 2 329.404 1.125 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000080457658 441172931 /nfs/dbraw/zinc/17/29/31/441172931.db2.gz NXUUWCZXTXHHTN-KRWDZBQOSA-N 2 2 338.496 1.367 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000080530137 441177077 /nfs/dbraw/zinc/17/70/77/441177077.db2.gz OCNCCIGXZMTSCY-QZTJIDSGSA-N 2 2 328.460 1.600 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000080530137 441177081 /nfs/dbraw/zinc/17/70/81/441177081.db2.gz OCNCCIGXZMTSCY-QZTJIDSGSA-N 2 2 328.460 1.600 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)O1 ZINC000047434580 441188612 /nfs/dbraw/zinc/18/86/12/441188612.db2.gz XLYHGZYZQHWXRI-GJZGRUSLSA-N 2 2 343.431 1.496 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015372134 441201854 /nfs/dbraw/zinc/20/18/54/441201854.db2.gz ZJEOZXFFPARHJX-INIZCTEOSA-N 2 2 333.476 1.906 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015372134 441201856 /nfs/dbraw/zinc/20/18/56/441201856.db2.gz ZJEOZXFFPARHJX-INIZCTEOSA-N 2 2 333.476 1.906 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959397 441211778 /nfs/dbraw/zinc/21/17/78/441211778.db2.gz XGQXQCDFBNYEKH-OCCSQVGLSA-N 2 2 341.415 1.715 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959397 441211782 /nfs/dbraw/zinc/21/17/82/441211782.db2.gz XGQXQCDFBNYEKH-OCCSQVGLSA-N 2 2 341.415 1.715 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CC[NH+](CC4CC4)CC3)nc[nH+]2)C1 ZINC000105788121 441269208 /nfs/dbraw/zinc/26/92/08/441269208.db2.gz BRJWBNVKMNMNRP-MRXNPFEDSA-N 2 2 331.464 1.217 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000081481456 441275947 /nfs/dbraw/zinc/27/59/47/441275947.db2.gz SZCADCQNDCUKGL-QGZVFWFLSA-N 2 2 337.508 1.822 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000081481456 441275950 /nfs/dbraw/zinc/27/59/50/441275950.db2.gz SZCADCQNDCUKGL-QGZVFWFLSA-N 2 2 337.508 1.822 20 0 EDADLP CNC(=O)[C@H](C)C[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000081576313 441291784 /nfs/dbraw/zinc/29/17/84/441291784.db2.gz ILPZDESAGKDOAX-CABCVRRESA-N 2 2 332.448 1.328 20 0 EDADLP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000081576313 441291788 /nfs/dbraw/zinc/29/17/88/441291788.db2.gz ILPZDESAGKDOAX-CABCVRRESA-N 2 2 332.448 1.328 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000081633501 441297835 /nfs/dbraw/zinc/29/78/35/441297835.db2.gz DUEKGPLXJQCSPR-KRWDZBQOSA-N 3 2 336.524 1.251 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000081633501 441297839 /nfs/dbraw/zinc/29/78/39/441297839.db2.gz DUEKGPLXJQCSPR-KRWDZBQOSA-N 3 2 336.524 1.251 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000081633501 441297842 /nfs/dbraw/zinc/29/78/42/441297842.db2.gz DUEKGPLXJQCSPR-KRWDZBQOSA-N 3 2 336.524 1.251 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000081633501 441297847 /nfs/dbraw/zinc/29/78/47/441297847.db2.gz DUEKGPLXJQCSPR-KRWDZBQOSA-N 3 2 336.524 1.251 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000073227182 441303063 /nfs/dbraw/zinc/30/30/63/441303063.db2.gz IANQXXSXFXZIBD-INIZCTEOSA-N 2 2 332.448 1.230 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000073227182 441303066 /nfs/dbraw/zinc/30/30/66/441303066.db2.gz IANQXXSXFXZIBD-INIZCTEOSA-N 2 2 332.448 1.230 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000105904716 441314899 /nfs/dbraw/zinc/31/48/99/441314899.db2.gz WXUMYBCNANTBBC-UHFFFAOYSA-N 2 2 345.422 1.706 20 0 EDADLP CCOCCNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000084695617 441414292 /nfs/dbraw/zinc/41/42/92/441414292.db2.gz YFNBKGHMLHMDMQ-UHFFFAOYSA-N 2 2 348.491 1.173 20 0 EDADLP CCOCCNC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000084695617 441414295 /nfs/dbraw/zinc/41/42/95/441414295.db2.gz YFNBKGHMLHMDMQ-UHFFFAOYSA-N 2 2 348.491 1.173 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)on1 ZINC000051959858 441429818 /nfs/dbraw/zinc/42/98/18/441429818.db2.gz LCUIUMZIWMUOMN-AWEZNQCLSA-N 2 2 336.436 1.354 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)O1 ZINC000065423149 441430897 /nfs/dbraw/zinc/43/08/97/441430897.db2.gz LABXITROTDFAEJ-KRWDZBQOSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC(C)(C)O1 ZINC000065423149 441430901 /nfs/dbraw/zinc/43/09/01/441430901.db2.gz LABXITROTDFAEJ-KRWDZBQOSA-N 2 2 345.487 1.830 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000109787696 441506604 /nfs/dbraw/zinc/50/66/04/441506604.db2.gz KZUOHQSVXLLICQ-UHFFFAOYSA-N 2 2 338.496 1.951 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000109787696 441506609 /nfs/dbraw/zinc/50/66/09/441506609.db2.gz KZUOHQSVXLLICQ-UHFFFAOYSA-N 2 2 338.496 1.951 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000066177498 441510101 /nfs/dbraw/zinc/51/01/01/441510101.db2.gz GYIDDVAUXJSMKZ-AWEZNQCLSA-N 2 2 330.436 1.797 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000066177498 441510105 /nfs/dbraw/zinc/51/01/05/441510105.db2.gz GYIDDVAUXJSMKZ-AWEZNQCLSA-N 2 2 330.436 1.797 20 0 EDADLP C[C@H]1C[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)S1 ZINC000075893208 441565743 /nfs/dbraw/zinc/56/57/43/441565743.db2.gz OCNWXEFYYUUNOB-KBPBESRZSA-N 2 2 329.510 1.039 20 0 EDADLP c1cc(C[NH+]2CCC([NH2+]C[C@H]3CN(C4CC4)CCO3)CC2)ccn1 ZINC000089682035 441570598 /nfs/dbraw/zinc/57/05/98/441570598.db2.gz IUIPZAYIULGFKW-IBGZPJMESA-N 2 2 330.476 1.499 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000075956436 441571505 /nfs/dbraw/zinc/57/15/05/441571505.db2.gz KMPFTWJSJZJWCI-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[C@@H](C)O1 ZINC000076055240 441588082 /nfs/dbraw/zinc/58/80/82/441588082.db2.gz VSHCSVFUOALMTB-OAGGEKHMSA-N 2 2 349.479 1.798 20 0 EDADLP CCN(C(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1)c1ccccc1 ZINC000089926306 441596773 /nfs/dbraw/zinc/59/67/73/441596773.db2.gz MAXLTXDRUOEQQI-INIZCTEOSA-N 2 2 341.459 1.984 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000038419589 441614556 /nfs/dbraw/zinc/61/45/56/441614556.db2.gz ZVLCUZTXWPUMLF-UHFFFAOYSA-N 2 2 346.475 1.115 20 0 EDADLP C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090102400 441621391 /nfs/dbraw/zinc/62/13/91/441621391.db2.gz WWNLKFXBMPPEEV-AWEZNQCLSA-N 2 2 337.445 1.584 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000114478060 441661828 /nfs/dbraw/zinc/66/18/28/441661828.db2.gz CEMNYHIGVUDHCH-ARFHVFGLSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000114478060 441661831 /nfs/dbraw/zinc/66/18/31/441661831.db2.gz CEMNYHIGVUDHCH-ARFHVFGLSA-N 2 2 339.480 1.060 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479178 441662183 /nfs/dbraw/zinc/66/21/83/441662183.db2.gz IPFVUEZCDJMNJJ-QGZVFWFLSA-N 2 2 333.476 1.797 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479178 441662188 /nfs/dbraw/zinc/66/21/88/441662188.db2.gz IPFVUEZCDJMNJJ-QGZVFWFLSA-N 2 2 333.476 1.797 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000114826154 441687179 /nfs/dbraw/zinc/68/71/79/441687179.db2.gz OCGNNKYFMZKHDD-RDJZCZTQSA-N 2 2 331.464 1.564 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000114826154 441687183 /nfs/dbraw/zinc/68/71/83/441687183.db2.gz OCGNNKYFMZKHDD-RDJZCZTQSA-N 2 2 331.464 1.564 20 0 EDADLP O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000114563073 441668098 /nfs/dbraw/zinc/66/80/98/441668098.db2.gz SDSNFMAWFARUCA-VQTJNVASSA-N 2 2 348.487 1.608 20 0 EDADLP O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000114563073 441668104 /nfs/dbraw/zinc/66/81/04/441668104.db2.gz SDSNFMAWFARUCA-VQTJNVASSA-N 2 2 348.487 1.608 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316579 441755051 /nfs/dbraw/zinc/75/50/51/441755051.db2.gz JPQDXBGSLUUSLR-UHFFFAOYSA-N 2 2 348.447 1.288 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000068080616 441724240 /nfs/dbraw/zinc/72/42/40/441724240.db2.gz NUJRTLCJHAOHNV-UHFFFAOYSA-N 2 2 342.447 1.025 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000139389316 441815860 /nfs/dbraw/zinc/81/58/60/441815860.db2.gz MKJGOBGWKYZREM-QGZVFWFLSA-N 2 2 346.475 1.487 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000139389316 441815865 /nfs/dbraw/zinc/81/58/65/441815865.db2.gz MKJGOBGWKYZREM-QGZVFWFLSA-N 2 2 346.475 1.487 20 0 EDADLP CCCC[C@@H](C(=O)OC)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116399874 441819462 /nfs/dbraw/zinc/81/94/62/441819462.db2.gz YBTJNNQYZDHVPV-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[C@@H](C(=O)OC)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000116399874 441819465 /nfs/dbraw/zinc/81/94/65/441819465.db2.gz YBTJNNQYZDHVPV-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCC[C@H](C(=O)OCC)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000116399819 441819610 /nfs/dbraw/zinc/81/96/10/441819610.db2.gz OXRRJDFVIZUEOL-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CCC[C@H](C(=O)OCC)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000116399819 441819616 /nfs/dbraw/zinc/81/96/16/441819616.db2.gz OXRRJDFVIZUEOL-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCCn1cc[nH+]c1)c1c(F)cccc1F ZINC000115779212 441774827 /nfs/dbraw/zinc/77/48/27/441774827.db2.gz RHTSVEVJDHYZJS-AWEZNQCLSA-N 2 2 337.374 1.763 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1 ZINC000068413693 441793419 /nfs/dbraw/zinc/79/34/19/441793419.db2.gz MEAPURVGMMZPLQ-GOSISDBHSA-N 2 2 346.475 1.006 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1 ZINC000068413693 441793423 /nfs/dbraw/zinc/79/34/23/441793423.db2.gz MEAPURVGMMZPLQ-GOSISDBHSA-N 2 2 346.475 1.006 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000122718687 441860627 /nfs/dbraw/zinc/86/06/27/441860627.db2.gz FXQPDUXTWUFNKJ-QGZVFWFLSA-N 2 2 336.480 1.917 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(c2cncc(-n3cc[nH+]c3C)n2)C[C@@H]1C ZINC000092924470 441840876 /nfs/dbraw/zinc/84/08/76/441840876.db2.gz PSPYHZJPQIFASY-OKILXGFUSA-N 2 2 330.436 1.516 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(c2cncc(-n3cc[nH+]c3C)n2)C[C@@H]1C ZINC000092924470 441840883 /nfs/dbraw/zinc/84/08/83/441840883.db2.gz PSPYHZJPQIFASY-OKILXGFUSA-N 2 2 330.436 1.516 20 0 EDADLP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000122556659 441854660 /nfs/dbraw/zinc/85/46/60/441854660.db2.gz HHGJGDRTEZFNKX-HOTGVXAUSA-N 2 2 348.491 1.168 20 0 EDADLP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000122556659 441854668 /nfs/dbraw/zinc/85/46/68/441854668.db2.gz HHGJGDRTEZFNKX-HOTGVXAUSA-N 2 2 348.491 1.168 20 0 EDADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174197130 441901619 /nfs/dbraw/zinc/90/16/19/441901619.db2.gz WIKBRYRMQAEDOE-MRXNPFEDSA-N 2 2 340.427 1.667 20 0 EDADLP CN(C)c1ncc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)s1 ZINC000093562813 441890253 /nfs/dbraw/zinc/89/02/53/441890253.db2.gz NTEWDEKRXMGLLU-UHFFFAOYSA-N 2 2 347.492 1.387 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)no1 ZINC000174873952 441976915 /nfs/dbraw/zinc/97/69/15/441976915.db2.gz XLPHKYZBGQPJSV-HNNXBMFYSA-N 2 2 335.452 1.023 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)no1 ZINC000174873952 441976920 /nfs/dbraw/zinc/97/69/20/441976920.db2.gz XLPHKYZBGQPJSV-HNNXBMFYSA-N 2 2 335.452 1.023 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000174624175 441945903 /nfs/dbraw/zinc/94/59/03/441945903.db2.gz CWNRPUBTIMHRAL-SFHVURJKSA-N 2 2 346.475 1.093 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000174624175 441945910 /nfs/dbraw/zinc/94/59/10/441945910.db2.gz CWNRPUBTIMHRAL-SFHVURJKSA-N 2 2 346.475 1.093 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723863 441958744 /nfs/dbraw/zinc/95/87/44/441958744.db2.gz GPSWJMFDHRHWPM-HNNXBMFYSA-N 2 2 336.455 1.722 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000174720360 441959506 /nfs/dbraw/zinc/95/95/06/441959506.db2.gz UTCZYPNHSWIINV-SFHVURJKSA-N 2 2 348.466 1.500 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000174728551 441961047 /nfs/dbraw/zinc/96/10/47/441961047.db2.gz VTHWBPTXFDQDPE-IBGZPJMESA-N 2 2 344.503 1.576 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000174728551 441961053 /nfs/dbraw/zinc/96/10/53/441961053.db2.gz VTHWBPTXFDQDPE-IBGZPJMESA-N 2 2 344.503 1.576 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000161713919 442027158 /nfs/dbraw/zinc/02/71/58/442027158.db2.gz VPUXLUSMOABOGV-MRXNPFEDSA-N 2 2 331.464 1.691 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000162007278 442056033 /nfs/dbraw/zinc/05/60/33/442056033.db2.gz MXHFRHLZFTXCBK-IEBWSBKVSA-N 3 2 347.503 1.970 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000162007278 442056038 /nfs/dbraw/zinc/05/60/38/442056038.db2.gz MXHFRHLZFTXCBK-IEBWSBKVSA-N 3 2 347.503 1.970 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@@H+]1C ZINC000162007278 442056043 /nfs/dbraw/zinc/05/60/43/442056043.db2.gz MXHFRHLZFTXCBK-IEBWSBKVSA-N 2 2 347.503 1.970 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@H+]1C ZINC000162007278 442056049 /nfs/dbraw/zinc/05/60/49/442056049.db2.gz MXHFRHLZFTXCBK-IEBWSBKVSA-N 2 2 347.503 1.970 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000175771839 442119495 /nfs/dbraw/zinc/11/94/95/442119495.db2.gz GCOFSSGCDNZEIG-ZBFHGGJFSA-N 2 2 335.452 1.086 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NCC[NH+]1CCOCC1)c1ccco1 ZINC000120808699 442136429 /nfs/dbraw/zinc/13/64/29/442136429.db2.gz LTUODSGCPMYEMO-HNNXBMFYSA-N 2 2 338.452 1.294 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000079955798 442100010 /nfs/dbraw/zinc/10/00/10/442100010.db2.gz TVIHCRCIDXVBJV-UHFFFAOYSA-N 2 2 343.475 1.919 20 0 EDADLP C[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C[NH+]1CCCC1 ZINC000079953271 442100714 /nfs/dbraw/zinc/10/07/14/442100714.db2.gz JDNNKBHGFXNHMM-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP COc1cccc2c(N3CCN(C(=O)C[NH+](C)C)CC3)cc(C)[nH+]c12 ZINC000121150706 442182967 /nfs/dbraw/zinc/18/29/67/442182967.db2.gz IJXAZPIYNXLLED-UHFFFAOYSA-N 2 2 342.443 1.762 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000121154596 442184632 /nfs/dbraw/zinc/18/46/32/442184632.db2.gz PRLUZRJNBKCWGY-INIZCTEOSA-N 2 2 333.501 1.875 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000121154596 442184638 /nfs/dbraw/zinc/18/46/38/442184638.db2.gz PRLUZRJNBKCWGY-INIZCTEOSA-N 2 2 333.501 1.875 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nn1C ZINC000164521735 442198663 /nfs/dbraw/zinc/19/86/63/442198663.db2.gz CWXPPGVFDBFHSJ-XYPWUTKMSA-N 2 2 346.479 1.503 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nn1C ZINC000164521735 442198665 /nfs/dbraw/zinc/19/86/65/442198665.db2.gz CWXPPGVFDBFHSJ-XYPWUTKMSA-N 2 2 346.479 1.503 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164562433 442199444 /nfs/dbraw/zinc/19/94/44/442199444.db2.gz NUPQLLTVKGBBGK-INIZCTEOSA-N 2 2 342.447 1.979 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCSCC3)CC2)CC1 ZINC000127478486 442206420 /nfs/dbraw/zinc/20/64/20/442206420.db2.gz IUNJBLMYOPTIJX-UHFFFAOYSA-N 2 2 326.510 1.303 20 0 EDADLP [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000165142093 442206603 /nfs/dbraw/zinc/20/66/03/442206603.db2.gz GZKOBCHAPVPPET-BCYZHJNNSA-N 2 2 343.471 1.550 20 0 EDADLP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CSC[NH2+]1 ZINC000166706702 442217949 /nfs/dbraw/zinc/21/79/49/442217949.db2.gz AORAAHCWIPEULN-HNNXBMFYSA-N 2 2 337.514 1.879 20 0 EDADLP C[N@H+](CC(=O)NCC[NH+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000154124703 442322743 /nfs/dbraw/zinc/32/27/43/442322743.db2.gz HLSJGQPZXVPKTH-QGZVFWFLSA-N 2 2 333.501 1.598 20 0 EDADLP C[N@@H+](CC(=O)NCC[NH+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000154124703 442322745 /nfs/dbraw/zinc/32/27/45/442322745.db2.gz HLSJGQPZXVPKTH-QGZVFWFLSA-N 2 2 333.501 1.598 20 0 EDADLP C[NH+](CC(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000154124703 442322746 /nfs/dbraw/zinc/32/27/46/442322746.db2.gz HLSJGQPZXVPKTH-QGZVFWFLSA-N 2 2 333.501 1.598 20 0 EDADLP C[NH+](CC(=O)NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000154124703 442322748 /nfs/dbraw/zinc/32/27/48/442322748.db2.gz HLSJGQPZXVPKTH-QGZVFWFLSA-N 2 2 333.501 1.598 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171174126 442323009 /nfs/dbraw/zinc/32/30/09/442323009.db2.gz YOTKTFKMKCQHLF-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171174126 442323013 /nfs/dbraw/zinc/32/30/13/442323013.db2.gz YOTKTFKMKCQHLF-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171174126 442323014 /nfs/dbraw/zinc/32/30/14/442323014.db2.gz YOTKTFKMKCQHLF-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171174126 442323018 /nfs/dbraw/zinc/32/30/18/442323018.db2.gz YOTKTFKMKCQHLF-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377114 442333955 /nfs/dbraw/zinc/33/39/55/442333955.db2.gz PCUKCYJRZXTMGH-WMZOPIPTSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377114 442333958 /nfs/dbraw/zinc/33/39/58/442333958.db2.gz PCUKCYJRZXTMGH-WMZOPIPTSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377114 442333962 /nfs/dbraw/zinc/33/39/62/442333962.db2.gz PCUKCYJRZXTMGH-WMZOPIPTSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377114 442333965 /nfs/dbraw/zinc/33/39/65/442333965.db2.gz PCUKCYJRZXTMGH-WMZOPIPTSA-N 2 2 338.540 1.639 20 0 EDADLP COC(=O)c1oc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000177378291 442334213 /nfs/dbraw/zinc/33/42/13/442334213.db2.gz UVOOAZKUDMZWSX-UHFFFAOYSA-N 2 2 337.464 1.832 20 0 EDADLP COC(=O)c1oc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000177378291 442334217 /nfs/dbraw/zinc/33/42/17/442334217.db2.gz UVOOAZKUDMZWSX-UHFFFAOYSA-N 2 2 337.464 1.832 20 0 EDADLP COC(=O)c1oc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000177378291 442334219 /nfs/dbraw/zinc/33/42/19/442334219.db2.gz UVOOAZKUDMZWSX-UHFFFAOYSA-N 2 2 337.464 1.832 20 0 EDADLP COC(=O)c1oc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000177378291 442334222 /nfs/dbraw/zinc/33/42/22/442334222.db2.gz UVOOAZKUDMZWSX-UHFFFAOYSA-N 2 2 337.464 1.832 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000154621618 442348295 /nfs/dbraw/zinc/34/82/95/442348295.db2.gz UWGVIIPFWUIWDF-MRXNPFEDSA-N 2 2 331.460 1.619 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000154621618 442348297 /nfs/dbraw/zinc/34/82/97/442348297.db2.gz UWGVIIPFWUIWDF-MRXNPFEDSA-N 2 2 331.460 1.619 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C[N@@H+]1C1CC1 ZINC000129230919 442307100 /nfs/dbraw/zinc/30/71/00/442307100.db2.gz PBULXXJBCFPZKW-BZUAXINKSA-N 2 2 343.475 1.975 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C[N@H+]1C1CC1 ZINC000129230919 442307101 /nfs/dbraw/zinc/30/71/01/442307101.db2.gz PBULXXJBCFPZKW-BZUAXINKSA-N 2 2 343.475 1.975 20 0 EDADLP CC(C)(CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000171095939 442311223 /nfs/dbraw/zinc/31/12/23/442311223.db2.gz WRCORTIDNBGTHK-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)(CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000171095939 442311226 /nfs/dbraw/zinc/31/12/26/442311226.db2.gz WRCORTIDNBGTHK-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCSC1 ZINC000154035222 442317931 /nfs/dbraw/zinc/31/79/31/442317931.db2.gz ZNBPFKHHUIOILO-MRXNPFEDSA-N 2 2 334.489 1.163 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCSC1 ZINC000154035222 442317934 /nfs/dbraw/zinc/31/79/34/442317934.db2.gz ZNBPFKHHUIOILO-MRXNPFEDSA-N 2 2 334.489 1.163 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)CCCC[NH+]3CCOCC3)cn21 ZINC000171836545 442384447 /nfs/dbraw/zinc/38/44/47/442384447.db2.gz XXFCNNBBWRRVGH-UHFFFAOYSA-N 2 2 330.432 1.761 20 0 EDADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154757091 442355113 /nfs/dbraw/zinc/35/51/13/442355113.db2.gz ODNQVVWGSOFGSP-INIZCTEOSA-N 2 2 338.496 1.666 20 0 EDADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154757091 442355115 /nfs/dbraw/zinc/35/51/15/442355115.db2.gz ODNQVVWGSOFGSP-INIZCTEOSA-N 2 2 338.496 1.666 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1cccnc1)c1ccccc1 ZINC000178119507 442408998 /nfs/dbraw/zinc/40/89/98/442408998.db2.gz KHDOQPRWAFEPRY-GOSISDBHSA-N 2 2 326.444 1.933 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1cccnc1)c1ccccc1 ZINC000178119507 442408999 /nfs/dbraw/zinc/40/89/99/442408999.db2.gz KHDOQPRWAFEPRY-GOSISDBHSA-N 2 2 326.444 1.933 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000133572068 442424196 /nfs/dbraw/zinc/42/41/96/442424196.db2.gz GSLMUVBEVGIZTJ-AWEZNQCLSA-N 2 2 346.456 1.996 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179468967 442462504 /nfs/dbraw/zinc/46/25/04/442462504.db2.gz WWOLPCRZVHTIIQ-MSOLQXFVSA-N 2 2 346.475 1.405 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179468967 442462513 /nfs/dbraw/zinc/46/25/13/442462513.db2.gz WWOLPCRZVHTIIQ-MSOLQXFVSA-N 2 2 346.475 1.405 20 0 EDADLP [NH3+]C1(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)Cc2ccccc2C1 ZINC000178722575 442463619 /nfs/dbraw/zinc/46/36/19/442463619.db2.gz HSTUVRJQGCIHDR-UHFFFAOYSA-N 2 2 333.395 1.380 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000186612850 442573490 /nfs/dbraw/zinc/57/34/90/442573490.db2.gz CPOKJQLSQHYQTO-UHFFFAOYSA-N 2 2 346.475 1.629 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000186612850 442573494 /nfs/dbraw/zinc/57/34/94/442573494.db2.gz CPOKJQLSQHYQTO-UHFFFAOYSA-N 2 2 346.475 1.629 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cncc(Cl)n3)CC2)CC1 ZINC000192341364 442635938 /nfs/dbraw/zinc/63/59/38/442635938.db2.gz PCPWOWMTYAQDBF-UHFFFAOYSA-N 2 2 337.855 1.418 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC(c3ccccc3)C2)CN1CC[NH+]1CCOCC1 ZINC000180715355 442651393 /nfs/dbraw/zinc/65/13/93/442651393.db2.gz XQRBXEDWAMFBJA-CTWPCTMYSA-N 2 2 343.471 1.455 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000186921665 442630512 /nfs/dbraw/zinc/63/05/12/442630512.db2.gz SEFDXORKUQUHHE-UHFFFAOYSA-N 2 2 345.422 1.040 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181076748 442678982 /nfs/dbraw/zinc/67/89/82/442678982.db2.gz JXBGUKINMHSMAK-UHFFFAOYSA-N 2 2 344.415 1.655 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181076748 442678985 /nfs/dbraw/zinc/67/89/85/442678985.db2.gz JXBGUKINMHSMAK-UHFFFAOYSA-N 2 2 344.415 1.655 20 0 EDADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000181120071 442680881 /nfs/dbraw/zinc/68/08/81/442680881.db2.gz ISCBJAXUASEXAW-HOCLYGCPSA-N 2 2 343.537 1.651 20 0 EDADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000181120071 442680883 /nfs/dbraw/zinc/68/08/83/442680883.db2.gz ISCBJAXUASEXAW-HOCLYGCPSA-N 2 2 343.537 1.651 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccnn1C ZINC000192738591 442681854 /nfs/dbraw/zinc/68/18/54/442681854.db2.gz IYGQFUDYHMDBQA-INIZCTEOSA-N 2 2 344.459 1.982 20 0 EDADLP CC(C)OC[C@H](O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301009 442735506 /nfs/dbraw/zinc/73/55/06/442735506.db2.gz BYVSRDAEEWXFMO-RTBURBONSA-N 2 2 336.476 1.341 20 0 EDADLP CC(C)OC[C@H](O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301009 442735508 /nfs/dbraw/zinc/73/55/08/442735508.db2.gz BYVSRDAEEWXFMO-RTBURBONSA-N 2 2 336.476 1.341 20 0 EDADLP CC(C)OC[C@H](O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188301009 442735510 /nfs/dbraw/zinc/73/55/10/442735510.db2.gz BYVSRDAEEWXFMO-RTBURBONSA-N 2 2 336.476 1.341 20 0 EDADLP CC(C)OC[C@H](O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188301009 442735512 /nfs/dbraw/zinc/73/55/12/442735512.db2.gz BYVSRDAEEWXFMO-RTBURBONSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000193587816 442756847 /nfs/dbraw/zinc/75/68/47/442756847.db2.gz FJHVUYZKEOPKDN-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000193587816 442756849 /nfs/dbraw/zinc/75/68/49/442756849.db2.gz FJHVUYZKEOPKDN-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H](CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000181717297 442712075 /nfs/dbraw/zinc/71/20/75/442712075.db2.gz WXTZCZYCZBCOQB-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000182355566 442759623 /nfs/dbraw/zinc/75/96/23/442759623.db2.gz AWFLKPAQYWGSET-GJZGRUSLSA-N 2 2 334.445 1.713 20 0 EDADLP CCn1nccc1N1CCC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1=O ZINC000188551792 442762697 /nfs/dbraw/zinc/76/26/97/442762697.db2.gz PKIWAOXKRYTNMQ-INIZCTEOSA-N 2 2 333.480 1.861 20 0 EDADLP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nccn1C ZINC000182468493 442771740 /nfs/dbraw/zinc/77/17/40/442771740.db2.gz ARPSHOVRTWMLTH-INIZCTEOSA-N 2 2 328.464 1.808 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC(=O)NCc1ccco1 ZINC000265449668 442776981 /nfs/dbraw/zinc/77/69/81/442776981.db2.gz BRSWIWVDNVEVCE-UHFFFAOYSA-N 2 2 331.376 1.208 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000246773159 442811890 /nfs/dbraw/zinc/81/18/90/442811890.db2.gz RHQBEGZFHWFBLF-HOTGVXAUSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000246773159 442811894 /nfs/dbraw/zinc/81/18/94/442811894.db2.gz RHQBEGZFHWFBLF-HOTGVXAUSA-N 2 2 325.497 1.581 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000188892445 442836026 /nfs/dbraw/zinc/83/60/26/442836026.db2.gz PEZKRMCPZGPUEW-MRXNPFEDSA-N 2 2 337.851 1.145 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000188892445 442836036 /nfs/dbraw/zinc/83/60/36/442836036.db2.gz PEZKRMCPZGPUEW-MRXNPFEDSA-N 2 2 337.851 1.145 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000188892445 442836040 /nfs/dbraw/zinc/83/60/40/442836040.db2.gz PEZKRMCPZGPUEW-MRXNPFEDSA-N 2 2 337.851 1.145 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000188892445 442836045 /nfs/dbraw/zinc/83/60/45/442836045.db2.gz PEZKRMCPZGPUEW-MRXNPFEDSA-N 2 2 337.851 1.145 20 0 EDADLP COCc1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)no1 ZINC000182977122 442858622 /nfs/dbraw/zinc/85/86/22/442858622.db2.gz DRXBYBAOSVKFLC-UHFFFAOYSA-N 2 2 338.452 1.540 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000247926420 442873696 /nfs/dbraw/zinc/87/36/96/442873696.db2.gz ZVKBNPGXRJBAHU-BRWVUGGUSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000247926420 442873697 /nfs/dbraw/zinc/87/36/97/442873697.db2.gz ZVKBNPGXRJBAHU-BRWVUGGUSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000265808046 442928608 /nfs/dbraw/zinc/92/86/08/442928608.db2.gz LRQZFTZUANQPTO-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000265808046 442928614 /nfs/dbraw/zinc/92/86/14/442928614.db2.gz LRQZFTZUANQPTO-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000194728141 442943725 /nfs/dbraw/zinc/94/37/25/442943725.db2.gz RJLWHORSRUJWLX-IYBDPMFKSA-N 2 2 333.476 1.929 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000194728141 442943728 /nfs/dbraw/zinc/94/37/28/442943728.db2.gz RJLWHORSRUJWLX-IYBDPMFKSA-N 2 2 333.476 1.929 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249648116 442998261 /nfs/dbraw/zinc/99/82/61/442998261.db2.gz YBJQSGBFULBWBN-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249648116 442998263 /nfs/dbraw/zinc/99/82/63/442998263.db2.gz YBJQSGBFULBWBN-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP Nc1nc(-n2cccn2)cc(NCC[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000268346604 442956119 /nfs/dbraw/zinc/95/61/19/442956119.db2.gz DBZKRXWDTZTIFH-UHFFFAOYSA-N 2 2 335.415 1.715 20 0 EDADLP Nc1nc(-n2cccn2)cc(NCC[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000268346604 442956121 /nfs/dbraw/zinc/95/61/21/442956121.db2.gz DBZKRXWDTZTIFH-UHFFFAOYSA-N 2 2 335.415 1.715 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000268361450 442961292 /nfs/dbraw/zinc/96/12/92/442961292.db2.gz KIKZPHJWDKUWQL-SUMWQHHRSA-N 2 2 329.448 1.936 20 0 EDADLP CCS(=O)(=O)N1CC(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190668851 318571363 /nfs/dbraw/zinc/57/13/63/318571363.db2.gz GZZCKDJDSYHFAP-AWEZNQCLSA-N 2 2 348.472 1.804 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266047786 442999082 /nfs/dbraw/zinc/99/90/82/442999082.db2.gz XWNUXVUNMKLMBK-RCCFBDPRSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266047786 442999083 /nfs/dbraw/zinc/99/90/83/442999083.db2.gz XWNUXVUNMKLMBK-RCCFBDPRSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249648116 442998250 /nfs/dbraw/zinc/99/82/50/442998250.db2.gz YBJQSGBFULBWBN-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249648116 442998252 /nfs/dbraw/zinc/99/82/52/442998252.db2.gz YBJQSGBFULBWBN-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1COCCN1CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000249648116 442998254 /nfs/dbraw/zinc/99/82/54/442998254.db2.gz YBJQSGBFULBWBN-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1COCCN1CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000249648116 442998256 /nfs/dbraw/zinc/99/82/56/442998256.db2.gz YBJQSGBFULBWBN-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249648116 442998257 /nfs/dbraw/zinc/99/82/57/442998257.db2.gz YBJQSGBFULBWBN-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000249648116 442998259 /nfs/dbraw/zinc/99/82/59/442998259.db2.gz YBJQSGBFULBWBN-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP COc1nccnc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000296055098 318660826 /nfs/dbraw/zinc/66/08/26/318660826.db2.gz OYTSVAQGWOEAAL-UHFFFAOYSA-N 2 2 331.420 1.501 20 0 EDADLP COC(=O)[C@H]1CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000254961812 443078526 /nfs/dbraw/zinc/07/85/26/443078526.db2.gz IXXWLBGVGZAXLU-ZJBFNYKTSA-N 2 2 338.448 1.598 20 0 EDADLP COC(=O)[C@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@@H]1C(=O)OC ZINC000254961812 443078530 /nfs/dbraw/zinc/07/85/30/443078530.db2.gz IXXWLBGVGZAXLU-ZJBFNYKTSA-N 2 2 338.448 1.598 20 0 EDADLP C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000255767140 443109395 /nfs/dbraw/zinc/10/93/95/443109395.db2.gz FTVDHHWNKVURAM-BLMOFCDVSA-N 2 2 343.471 1.613 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000268815485 443116951 /nfs/dbraw/zinc/11/69/51/443116951.db2.gz MDBDVORYLXRKSK-APWZRJJASA-N 3 2 344.503 1.647 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000268815485 443116954 /nfs/dbraw/zinc/11/69/54/443116954.db2.gz MDBDVORYLXRKSK-APWZRJJASA-N 3 2 344.503 1.647 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000268825409 443119272 /nfs/dbraw/zinc/11/92/72/443119272.db2.gz ITCMOOQMXFDPJK-MISYRCLQSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000268825409 443119278 /nfs/dbraw/zinc/11/92/78/443119278.db2.gz ITCMOOQMXFDPJK-MISYRCLQSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000266792917 443244078 /nfs/dbraw/zinc/24/40/78/443244078.db2.gz YDUQDKSUXDTXBP-GOSISDBHSA-N 2 2 346.519 1.603 20 0 EDADLP C[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000266792917 443244082 /nfs/dbraw/zinc/24/40/82/443244082.db2.gz YDUQDKSUXDTXBP-GOSISDBHSA-N 2 2 346.519 1.603 20 0 EDADLP C[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000266792917 443244085 /nfs/dbraw/zinc/24/40/85/443244085.db2.gz YDUQDKSUXDTXBP-GOSISDBHSA-N 2 2 346.519 1.603 20 0 EDADLP C[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000266792917 443244086 /nfs/dbraw/zinc/24/40/86/443244086.db2.gz YDUQDKSUXDTXBP-GOSISDBHSA-N 2 2 346.519 1.603 20 0 EDADLP Oc1cc(F)cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000185462556 443203975 /nfs/dbraw/zinc/20/39/75/443203975.db2.gz DKWYTIMOFWNHPR-UHFFFAOYSA-N 2 2 345.422 1.623 20 0 EDADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652048 319112223 /nfs/dbraw/zinc/11/22/23/319112223.db2.gz SEXBZARUDXXSKH-HNNXBMFYSA-N 2 2 333.476 1.965 20 0 EDADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652048 319112224 /nfs/dbraw/zinc/11/22/24/319112224.db2.gz SEXBZARUDXXSKH-HNNXBMFYSA-N 2 2 333.476 1.965 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cn2c1 ZINC000266809805 443250813 /nfs/dbraw/zinc/25/08/13/443250813.db2.gz WBXJHHBHSKDPSY-MRXNPFEDSA-N 2 2 325.416 1.798 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c(C)[nH+]1 ZINC000411455190 319182889 /nfs/dbraw/zinc/18/28/89/319182889.db2.gz ASPNYMADEIDSMM-HNNXBMFYSA-N 2 2 332.448 1.888 20 0 EDADLP CCOC(=O)[C@H](CC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000412227217 319227324 /nfs/dbraw/zinc/22/73/24/319227324.db2.gz JFQYBAIXNQVYGE-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@H](CC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000412227217 319227325 /nfs/dbraw/zinc/22/73/25/319227325.db2.gz JFQYBAIXNQVYGE-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H](CC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000412227219 319227335 /nfs/dbraw/zinc/22/73/35/319227335.db2.gz JFQYBAIXNQVYGE-HOCLYGCPSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H](CC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000412227219 319227337 /nfs/dbraw/zinc/22/73/37/319227337.db2.gz JFQYBAIXNQVYGE-HOCLYGCPSA-N 2 2 339.480 1.203 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415693249 319364644 /nfs/dbraw/zinc/36/46/44/319364644.db2.gz HSTWAMQNLBQXRW-GFCCVEGCSA-N 2 2 343.431 1.425 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415813358 319372664 /nfs/dbraw/zinc/37/26/64/319372664.db2.gz UHJVYNGOMASVMD-NEPJUHHUSA-N 2 2 343.431 1.553 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000266911278 443287821 /nfs/dbraw/zinc/28/78/21/443287821.db2.gz IWUGNXPBPWUFOP-AWEZNQCLSA-N 2 2 343.431 1.578 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000191505090 443304581 /nfs/dbraw/zinc/30/45/81/443304581.db2.gz YNDGIZJAWZAMOE-IBGZPJMESA-N 2 2 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O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCn2c[nH+]cc2C1 ZINC000291039839 443738665 /nfs/dbraw/zinc/73/86/65/443738665.db2.gz FZVVSOBUDPVKJM-KRWDZBQOSA-N 2 2 326.400 1.126 20 0 EDADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCn2c[nH+]cc2C1 ZINC000291039839 443738667 /nfs/dbraw/zinc/73/86/67/443738667.db2.gz FZVVSOBUDPVKJM-KRWDZBQOSA-N 2 2 326.400 1.126 20 0 EDADLP O=C(N1CC[NH+](Cc2cccc(O)c2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280892023 443767563 /nfs/dbraw/zinc/76/75/63/443767563.db2.gz QCNJTOCHGSCMDI-VQIMIIECSA-N 2 2 329.444 1.426 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000625522348 450407579 /nfs/dbraw/zinc/40/75/79/450407579.db2.gz NXKBLAJEZYQIET-ZBFHGGJFSA-N 2 2 337.508 1.865 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 ZINC000625522348 450407584 /nfs/dbraw/zinc/40/75/84/450407584.db2.gz NXKBLAJEZYQIET-ZBFHGGJFSA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000288114137 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20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000298734764 443852928 /nfs/dbraw/zinc/85/29/28/443852928.db2.gz MJVIWNPVXQLGDO-HOTGVXAUSA-N 2 2 329.448 1.540 20 0 EDADLP CSCCC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000281280044 443867722 /nfs/dbraw/zinc/86/77/22/443867722.db2.gz GIPOLCNSBBHKGL-UHFFFAOYSA-N 2 2 336.505 1.805 20 0 EDADLP CSCCC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000281280044 443867727 /nfs/dbraw/zinc/86/77/27/443867727.db2.gz GIPOLCNSBBHKGL-UHFFFAOYSA-N 2 2 336.505 1.805 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277229219 443943535 /nfs/dbraw/zinc/94/35/35/443943535.db2.gz OOYJKUHVLOSJJI-WBVHZDCISA-N 2 2 346.475 1.817 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277229219 443943537 /nfs/dbraw/zinc/94/35/37/443943537.db2.gz OOYJKUHVLOSJJI-WBVHZDCISA-N 2 2 346.475 1.817 20 0 EDADLP C[N@@H+]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000299239034 443992883 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CNC(=O)NC(=O)CC[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000299267284 444000906 /nfs/dbraw/zinc/00/09/06/444000906.db2.gz KRCPIMVXOMQPEI-MRXNPFEDSA-N 2 2 334.464 1.578 20 0 EDADLP O[C@]1(Cn2ccnn2)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000285575533 444034890 /nfs/dbraw/zinc/03/48/90/444034890.db2.gz SGXOFRVURXGNCM-GOSISDBHSA-N 2 2 338.415 1.491 20 0 EDADLP O[C@]1(Cn2ccnn2)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000285575533 444034892 /nfs/dbraw/zinc/03/48/92/444034892.db2.gz SGXOFRVURXGNCM-GOSISDBHSA-N 2 2 338.415 1.491 20 0 EDADLP COCCOCC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000289071744 444047170 /nfs/dbraw/zinc/04/71/70/444047170.db2.gz SDOFHVQRXGPOOG-IBGZPJMESA-N 2 2 336.476 1.872 20 0 EDADLP COCCOCC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000289071744 444047176 /nfs/dbraw/zinc/04/71/76/444047176.db2.gz SDOFHVQRXGPOOG-IBGZPJMESA-N 2 2 336.476 1.872 20 0 EDADLP COCCOCC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000289071744 444047180 /nfs/dbraw/zinc/04/71/80/444047180.db2.gz SDOFHVQRXGPOOG-IBGZPJMESA-N 2 2 336.476 1.872 20 0 EDADLP COCCOCC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000289071744 444047184 /nfs/dbraw/zinc/04/71/84/444047184.db2.gz SDOFHVQRXGPOOG-IBGZPJMESA-N 2 2 336.476 1.872 20 0 EDADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(=O)[nH]n1 ZINC000285496529 444007060 /nfs/dbraw/zinc/00/70/60/444007060.db2.gz APGSRCRONDZCQL-ZDUSSCGKSA-N 2 2 342.447 1.868 20 0 EDADLP C[C@H](C(=O)N(C)C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285504574 444009491 /nfs/dbraw/zinc/00/94/91/444009491.db2.gz QHNCHVHVUXLPFM-QGZVFWFLSA-N 2 2 332.492 1.213 20 0 EDADLP Cc1noc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000553025628 320934655 /nfs/dbraw/zinc/93/46/55/320934655.db2.gz HGDSUTUENPSCNX-ZIAGYGMSSA-N 2 2 338.452 1.468 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000299542148 444074224 /nfs/dbraw/zinc/07/42/24/444074224.db2.gz VWSKNRQYLOWRLD-UGSOOPFHSA-N 2 2 348.447 1.655 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000562671787 321068421 /nfs/dbraw/zinc/06/84/21/321068421.db2.gz NIDGAJLAVNLZIL-IIAWOOMASA-N 2 2 332.448 1.962 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000562810455 321077511 /nfs/dbraw/zinc/07/75/11/321077511.db2.gz OEVPFLXGFLPKCT-CYBMUJFWSA-N 2 2 346.809 1.716 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000562810455 321077512 /nfs/dbraw/zinc/07/75/12/321077512.db2.gz OEVPFLXGFLPKCT-CYBMUJFWSA-N 2 2 346.809 1.716 20 0 EDADLP OC[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000564976137 321162533 /nfs/dbraw/zinc/16/25/33/321162533.db2.gz SHJLHVROVYLBHX-QKLQHJQFSA-N 2 2 332.488 1.794 20 0 EDADLP OC[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000564976137 321162534 /nfs/dbraw/zinc/16/25/34/321162534.db2.gz SHJLHVROVYLBHX-QKLQHJQFSA-N 2 2 332.488 1.794 20 0 EDADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289274784 444093416 /nfs/dbraw/zinc/09/34/16/444093416.db2.gz FKGIWNCPSLMYOK-SJORKVTESA-N 2 2 349.475 1.921 20 0 EDADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289274784 444093422 /nfs/dbraw/zinc/09/34/22/444093422.db2.gz FKGIWNCPSLMYOK-SJORKVTESA-N 2 2 349.475 1.921 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000565167238 321171933 /nfs/dbraw/zinc/17/19/33/321171933.db2.gz XSTJUCQDLYAABB-KBRIMQKVSA-N 2 2 327.419 1.612 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000565167238 321171934 /nfs/dbraw/zinc/17/19/34/321171934.db2.gz XSTJUCQDLYAABB-KBRIMQKVSA-N 2 2 327.419 1.612 20 0 EDADLP CC[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000565167238 321171936 /nfs/dbraw/zinc/17/19/36/321171936.db2.gz XSTJUCQDLYAABB-KBRIMQKVSA-N 2 2 327.419 1.612 20 0 EDADLP CC[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000565167238 321171937 /nfs/dbraw/zinc/17/19/37/321171937.db2.gz XSTJUCQDLYAABB-KBRIMQKVSA-N 2 2 327.419 1.612 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000565660275 321196115 /nfs/dbraw/zinc/19/61/15/321196115.db2.gz KKQJFEIQOHCHQL-MAUKXSAKSA-N 2 2 342.443 1.873 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566414767 321228897 /nfs/dbraw/zinc/22/88/97/321228897.db2.gz RSBGAYMNTYDPHF-BRWVUGGUSA-N 2 2 348.491 1.921 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566414767 321228899 /nfs/dbraw/zinc/22/88/99/321228899.db2.gz RSBGAYMNTYDPHF-BRWVUGGUSA-N 2 2 348.491 1.921 20 0 EDADLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000566836059 321234949 /nfs/dbraw/zinc/23/49/49/321234949.db2.gz HHHBTXPMWQXMBL-MAUKXSAKSA-N 2 2 346.475 1.326 20 0 EDADLP COC(=O)c1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000566836059 321234951 /nfs/dbraw/zinc/23/49/51/321234951.db2.gz HHHBTXPMWQXMBL-MAUKXSAKSA-N 2 2 346.475 1.326 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@](C)(CC)CO)CC2)CC1 ZINC000568228163 321283248 /nfs/dbraw/zinc/28/32/48/321283248.db2.gz QLACJCKNTRDIBR-GOSISDBHSA-N 2 2 325.497 1.414 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@](C)(CC)CO)CC2)CC1 ZINC000568228163 321283249 /nfs/dbraw/zinc/28/32/49/321283249.db2.gz QLACJCKNTRDIBR-GOSISDBHSA-N 2 2 325.497 1.414 20 0 EDADLP [NH3+]C[C@@H]1CCCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000568489646 321293397 /nfs/dbraw/zinc/29/33/97/321293397.db2.gz KKRUZTRWBYFVDY-WMZOPIPTSA-N 2 2 346.475 1.440 20 0 EDADLP O=S(=O)(CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000570082394 321337070 /nfs/dbraw/zinc/33/70/70/321337070.db2.gz ZNLJEBSPCCYSAP-ZDUSSCGKSA-N 2 2 326.437 1.673 20 0 EDADLP O=S(=O)(CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000570082394 321337071 /nfs/dbraw/zinc/33/70/71/321337071.db2.gz ZNLJEBSPCCYSAP-ZDUSSCGKSA-N 2 2 326.437 1.673 20 0 EDADLP O=C(COC1CC[NH2+]CC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000570562676 321347601 /nfs/dbraw/zinc/34/76/01/321347601.db2.gz PTGYZGIGXHPEHL-UHFFFAOYSA-N 2 2 346.475 1.847 20 0 EDADLP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000570564466 321348017 /nfs/dbraw/zinc/34/80/17/321348017.db2.gz RBVKZKUEYDNYAC-UONOGXRCSA-N 2 2 335.404 1.318 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C[C@H](C)O1 ZINC000570625845 321350937 /nfs/dbraw/zinc/35/09/37/321350937.db2.gz NYPKZRVPPKFQRG-RUOLKGTKSA-N 2 2 330.472 1.775 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C[C@H](C)O1 ZINC000570625845 321350938 /nfs/dbraw/zinc/35/09/38/321350938.db2.gz NYPKZRVPPKFQRG-RUOLKGTKSA-N 2 2 330.472 1.775 20 0 EDADLP O=C1NC(=O)N2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]12 ZINC000570927663 321363740 /nfs/dbraw/zinc/36/37/40/321363740.db2.gz AVOYYHZXRFIXJV-QGZVFWFLSA-N 2 2 342.443 1.409 20 0 EDADLP O=C1NC(=O)N2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]12 ZINC000570927663 321363742 /nfs/dbraw/zinc/36/37/42/321363742.db2.gz AVOYYHZXRFIXJV-QGZVFWFLSA-N 2 2 342.443 1.409 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000571340630 321383298 /nfs/dbraw/zinc/38/32/98/321383298.db2.gz IQKBRZHPJQGOIR-DLBZAZTESA-N 2 2 346.475 1.440 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000571340630 321383300 /nfs/dbraw/zinc/38/33/00/321383300.db2.gz IQKBRZHPJQGOIR-DLBZAZTESA-N 2 2 346.475 1.440 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000571340630 321383301 /nfs/dbraw/zinc/38/33/01/321383301.db2.gz IQKBRZHPJQGOIR-DLBZAZTESA-N 2 2 346.475 1.440 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000571340630 321383302 /nfs/dbraw/zinc/38/33/02/321383302.db2.gz IQKBRZHPJQGOIR-DLBZAZTESA-N 2 2 346.475 1.440 20 0 EDADLP Cc1csc2nc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)cc(=O)n12 ZINC000573396206 321452944 /nfs/dbraw/zinc/45/29/44/321452944.db2.gz VATSEECAZPCPGU-UHFFFAOYSA-N 2 2 330.417 1.110 20 0 EDADLP CCOc1ccccc1C(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000289497985 444159741 /nfs/dbraw/zinc/15/97/41/444159741.db2.gz DENCAZJSTYAPEN-UHFFFAOYSA-N 2 2 342.443 1.819 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1 ZINC000574078171 321468570 /nfs/dbraw/zinc/46/85/70/321468570.db2.gz UNVHWVCQAKIEOG-NJAFHUGGSA-N 2 2 331.460 1.483 20 0 EDADLP c1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000301446813 444172095 /nfs/dbraw/zinc/17/20/95/444172095.db2.gz KDACXOYTRMCULL-INIZCTEOSA-N 2 2 331.464 1.625 20 0 EDADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000302210328 444209341 /nfs/dbraw/zinc/20/93/41/444209341.db2.gz GJRRMEVENNYONG-UHFFFAOYSA-N 2 2 331.807 1.551 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](C)CCc1nc(-c2ccccc2)no1)C1CC1 ZINC000289847881 444210792 /nfs/dbraw/zinc/21/07/92/444210792.db2.gz QFFWFCMXSFEUAD-INIZCTEOSA-N 2 2 330.432 1.666 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCc1nc(-c2ccccc2)no1)C1CC1 ZINC000289847881 444210793 /nfs/dbraw/zinc/21/07/93/444210793.db2.gz QFFWFCMXSFEUAD-INIZCTEOSA-N 2 2 330.432 1.666 20 0 EDADLP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289847881 444210796 /nfs/dbraw/zinc/21/07/96/444210796.db2.gz QFFWFCMXSFEUAD-INIZCTEOSA-N 2 2 330.432 1.666 20 0 EDADLP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289847881 444210799 /nfs/dbraw/zinc/21/07/99/444210799.db2.gz QFFWFCMXSFEUAD-INIZCTEOSA-N 2 2 330.432 1.666 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000296190981 444211185 /nfs/dbraw/zinc/21/11/85/444211185.db2.gz IXHJIPBOKHPQJG-AWEZNQCLSA-N 2 2 329.404 1.060 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)[C@H]2C)CC1 ZINC000296220584 444213118 /nfs/dbraw/zinc/21/31/18/444213118.db2.gz MTIBELNBIVVDRZ-MJGOQNOKSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)[C@H]2C)CC1 ZINC000296220584 444213119 /nfs/dbraw/zinc/21/31/19/444213119.db2.gz MTIBELNBIVVDRZ-MJGOQNOKSA-N 2 2 345.487 1.484 20 0 EDADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000289633935 444183505 /nfs/dbraw/zinc/18/35/05/444183505.db2.gz HKEHTEODFNXEDH-HOTGVXAUSA-N 2 2 339.867 1.957 20 0 EDADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(Cl)c1 ZINC000289633935 444183506 /nfs/dbraw/zinc/18/35/06/444183506.db2.gz HKEHTEODFNXEDH-HOTGVXAUSA-N 2 2 339.867 1.957 20 0 EDADLP Cc1nc(N2CCC(C(=O)NCC[NH+](C)C)CC2)c2c([nH+]1)CCCC2 ZINC000302048497 444202202 /nfs/dbraw/zinc/20/22/02/444202202.db2.gz MGIGHWKBXFIDBV-UHFFFAOYSA-N 2 2 345.491 1.558 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000296102845 444204393 /nfs/dbraw/zinc/20/43/93/444204393.db2.gz XLIJHPCKQBHBQW-KKUMJFAQSA-N 2 2 334.464 1.904 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000296102845 444204395 /nfs/dbraw/zinc/20/43/95/444204395.db2.gz XLIJHPCKQBHBQW-KKUMJFAQSA-N 2 2 334.464 1.904 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000305072364 444256502 /nfs/dbraw/zinc/25/65/02/444256502.db2.gz PFUPCBNEBTWYDY-GOSISDBHSA-N 2 2 342.443 1.199 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000305072364 444256505 /nfs/dbraw/zinc/25/65/05/444256505.db2.gz PFUPCBNEBTWYDY-GOSISDBHSA-N 2 2 342.443 1.199 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000305234061 444266626 /nfs/dbraw/zinc/26/66/26/444266626.db2.gz ZWGLPCXQKCGXNA-MRXNPFEDSA-N 2 2 328.416 1.401 20 0 EDADLP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000303042014 444232804 /nfs/dbraw/zinc/23/28/04/444232804.db2.gz HCTKANJJZQYHAY-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1)CS2 ZINC000577143192 321626534 /nfs/dbraw/zinc/62/65/34/321626534.db2.gz WAGFVVWNHOWYKF-CZUORRHYSA-N 2 2 343.412 1.660 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000303108112 444233850 /nfs/dbraw/zinc/23/38/50/444233850.db2.gz HGZGHLIEKBEKHJ-MJGOQNOKSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000303108112 444233852 /nfs/dbraw/zinc/23/38/52/444233852.db2.gz HGZGHLIEKBEKHJ-MJGOQNOKSA-N 2 2 348.487 1.920 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000577164733 321628280 /nfs/dbraw/zinc/62/82/80/321628280.db2.gz YXZNUYCACNSBNH-SMDDNHRTSA-N 2 2 326.391 1.619 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000296580543 444239956 /nfs/dbraw/zinc/23/99/56/444239956.db2.gz WWAATRRPAGQAJD-GOSISDBHSA-N 2 2 340.427 1.543 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000297700795 444320592 /nfs/dbraw/zinc/32/05/92/444320592.db2.gz AUDUITWKXHUYOH-UONOGXRCSA-N 2 2 327.388 1.016 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000297700795 444320596 /nfs/dbraw/zinc/32/05/96/444320596.db2.gz AUDUITWKXHUYOH-UONOGXRCSA-N 2 2 327.388 1.016 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311684450 444293607 /nfs/dbraw/zinc/29/36/07/444293607.db2.gz MWJUHRHEYZEXMG-PKOBYXMFSA-N 2 2 345.487 1.783 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311684450 444293610 /nfs/dbraw/zinc/29/36/10/444293610.db2.gz MWJUHRHEYZEXMG-PKOBYXMFSA-N 2 2 345.487 1.783 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1CC(C)(C)O ZINC000290619157 444302317 /nfs/dbraw/zinc/30/23/17/444302317.db2.gz ILDWLDCRRBMCSU-CYBMUJFWSA-N 2 2 331.420 1.643 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1CC(C)(C)O ZINC000290619157 444302320 /nfs/dbraw/zinc/30/23/20/444302320.db2.gz ILDWLDCRRBMCSU-CYBMUJFWSA-N 2 2 331.420 1.643 20 0 EDADLP CCCc1nnc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000340250451 444373141 /nfs/dbraw/zinc/37/31/41/444373141.db2.gz DXMHIMFYTONTMM-UHFFFAOYSA-N 2 2 340.497 1.638 20 0 EDADLP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000578627545 321805736 /nfs/dbraw/zinc/80/57/36/321805736.db2.gz YPJAJNUQWCQCMA-DOTOQJQBSA-N 2 2 330.476 1.556 20 0 EDADLP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](Cc2cccnc2)CC1 ZINC000327239073 444381278 /nfs/dbraw/zinc/38/12/78/444381278.db2.gz MHKPFCKTTANEOH-IBGZPJMESA-N 2 2 336.439 1.613 20 0 EDADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000337941378 444465670 /nfs/dbraw/zinc/46/56/70/444465670.db2.gz FOEMYHGHIFYHER-HOTGVXAUSA-N 2 2 334.427 1.932 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340651804 444471655 /nfs/dbraw/zinc/47/16/55/444471655.db2.gz UDFSZZURSFMGJJ-HOTGVXAUSA-N 2 2 349.479 1.159 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340651804 444471657 /nfs/dbraw/zinc/47/16/57/444471657.db2.gz UDFSZZURSFMGJJ-HOTGVXAUSA-N 2 2 349.479 1.159 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([NH+]3CCCCC3)CC2)nc[nH+]1 ZINC000329098279 444471925 /nfs/dbraw/zinc/47/19/25/444471925.db2.gz CPRWFTTZMQMBFF-QGZVFWFLSA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([NH+]3CCCCC3)CC2)[nH+]cn1 ZINC000329098279 444471928 /nfs/dbraw/zinc/47/19/28/444471928.db2.gz CPRWFTTZMQMBFF-QGZVFWFLSA-N 2 2 345.491 1.892 20 0 EDADLP CN(CC1CCCCC1)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340705983 444484613 /nfs/dbraw/zinc/48/46/13/444484613.db2.gz CTHLJLAQQAFTOX-UHFFFAOYSA-N 2 2 333.480 1.581 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338009387 444485165 /nfs/dbraw/zinc/48/51/65/444485165.db2.gz VHDUQIBSDBUEHD-GPMSIDNRSA-N 2 2 343.471 1.739 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338009387 444485170 /nfs/dbraw/zinc/48/51/70/444485170.db2.gz VHDUQIBSDBUEHD-GPMSIDNRSA-N 2 2 343.471 1.739 20 0 EDADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000580090307 322009028 /nfs/dbraw/zinc/00/90/28/322009028.db2.gz QVHLGXYRXMZFJR-SFHVURJKSA-N 2 2 326.444 1.786 20 0 EDADLP Cn1c[nH+]cc1CCC[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000580090307 322009030 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331.464 1.392 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[N@H+]1C ZINC000338059643 444503332 /nfs/dbraw/zinc/50/33/32/444503332.db2.gz FQJUXYFIDXRMTB-NVXWUHKLSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000581141361 322141960 /nfs/dbraw/zinc/14/19/60/322141960.db2.gz VZKUEXNPICQKME-AWEZNQCLSA-N 2 2 342.447 1.052 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000581141361 322141961 /nfs/dbraw/zinc/14/19/61/322141961.db2.gz VZKUEXNPICQKME-AWEZNQCLSA-N 2 2 342.447 1.052 20 0 EDADLP Cc1cnc(CC[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)nc1 ZINC000581186267 322146183 /nfs/dbraw/zinc/14/61/83/322146183.db2.gz OQSFZDLUXPANIS-SFHVURJKSA-N 2 2 326.444 1.336 20 0 EDADLP Cc1cnc(CC[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)nc1 ZINC000581186267 322146184 /nfs/dbraw/zinc/14/61/84/322146184.db2.gz OQSFZDLUXPANIS-SFHVURJKSA-N 2 2 326.444 1.336 20 0 EDADLP C[C@H](COc1cccc(F)c1)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000581246014 322153932 /nfs/dbraw/zinc/15/39/32/322153932.db2.gz FGQONPJUHYUXHN-AESZEHBQSA-N 2 2 340.439 1.653 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000581498420 322185452 /nfs/dbraw/zinc/18/54/52/322185452.db2.gz YBBRPSVAHCIKAN-INIZCTEOSA-N 2 2 339.867 1.733 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000581992275 322241783 /nfs/dbraw/zinc/24/17/83/322241783.db2.gz PUIDCONPIHMJEI-KGLIPLIRSA-N 2 2 339.509 1.073 20 0 EDADLP CCc1csc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000338182571 444552898 /nfs/dbraw/zinc/55/28/98/444552898.db2.gz NQXUJBRXWVNZEM-UHFFFAOYSA-N 2 2 338.521 1.732 20 0 EDADLP CCc1csc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000338182571 444552900 /nfs/dbraw/zinc/55/29/00/444552900.db2.gz NQXUJBRXWVNZEM-UHFFFAOYSA-N 2 2 338.521 1.732 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCOCC1 ZINC000343734699 444552980 /nfs/dbraw/zinc/55/29/80/444552980.db2.gz MKAGQARVTZCBAL-ZIFCJYIRSA-N 2 2 345.487 1.591 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCOCC1 ZINC000343734699 444552981 /nfs/dbraw/zinc/55/29/81/444552981.db2.gz MKAGQARVTZCBAL-ZIFCJYIRSA-N 2 2 345.487 1.591 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332818979 444563844 /nfs/dbraw/zinc/56/38/44/444563844.db2.gz WSQTZJIWIBGHRP-KBPBESRZSA-N 2 2 333.480 1.889 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000332818979 444563846 /nfs/dbraw/zinc/56/38/46/444563846.db2.gz WSQTZJIWIBGHRP-KBPBESRZSA-N 2 2 333.480 1.889 20 0 EDADLP OC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCO1 ZINC000342161628 444541555 /nfs/dbraw/zinc/54/15/55/444541555.db2.gz JHYABINQGLMDTK-GBESFXJTSA-N 2 2 334.460 1.407 20 0 EDADLP OC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCO1 ZINC000342161628 444541559 /nfs/dbraw/zinc/54/15/59/444541559.db2.gz JHYABINQGLMDTK-GBESFXJTSA-N 2 2 334.460 1.407 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343851203 444627919 /nfs/dbraw/zinc/62/79/19/444627919.db2.gz MNRGXEPJOBISPA-INMHGKMJSA-N 2 2 328.460 1.754 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000343851203 444627921 /nfs/dbraw/zinc/62/79/21/444627921.db2.gz MNRGXEPJOBISPA-INMHGKMJSA-N 2 2 328.460 1.754 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(c2cc[nH+]cc2Br)CC1 ZINC000342245676 444586423 /nfs/dbraw/zinc/58/64/23/444586423.db2.gz JZYOBOVDVVQZMM-UHFFFAOYSA-N 2 2 336.237 1.900 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342277566 444608874 /nfs/dbraw/zinc/60/88/74/444608874.db2.gz DRRWWCPAGZWZBM-BHIYHBOVSA-N 2 2 343.471 1.583 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000342277566 444608877 /nfs/dbraw/zinc/60/88/77/444608877.db2.gz DRRWWCPAGZWZBM-BHIYHBOVSA-N 2 2 343.471 1.583 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342277573 444609183 /nfs/dbraw/zinc/60/91/83/444609183.db2.gz DRRWWCPAGZWZBM-QRQLOZEOSA-N 2 2 343.471 1.583 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000342277573 444609185 /nfs/dbraw/zinc/60/91/85/444609185.db2.gz DRRWWCPAGZWZBM-QRQLOZEOSA-N 2 2 343.471 1.583 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000338292236 444614479 /nfs/dbraw/zinc/61/44/79/444614479.db2.gz RNAIJWKRTFFXDE-GJZGRUSLSA-N 2 2 348.472 1.804 20 0 EDADLP CNC(=O)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000343891217 444649372 /nfs/dbraw/zinc/64/93/72/444649372.db2.gz XUOQWEWLVYMRCD-APWZRJJASA-N 2 2 344.503 1.504 20 0 EDADLP CNC(=O)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000343891217 444649378 /nfs/dbraw/zinc/64/93/78/444649378.db2.gz XUOQWEWLVYMRCD-APWZRJJASA-N 2 2 344.503 1.504 20 0 EDADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000343897887 444653934 /nfs/dbraw/zinc/65/39/34/444653934.db2.gz YYRKEXQHDHEMMC-APWZRJJASA-N 2 2 333.476 1.437 20 0 EDADLP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000343897895 444654005 /nfs/dbraw/zinc/65/40/05/444654005.db2.gz YYRKEXQHDHEMMC-QFBILLFUSA-N 2 2 333.476 1.437 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343986497 444710717 /nfs/dbraw/zinc/71/07/17/444710717.db2.gz QOMDBBWCPVFLAI-RYRKJORJSA-N 2 2 336.524 1.392 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343986497 444710720 /nfs/dbraw/zinc/71/07/20/444710720.db2.gz QOMDBBWCPVFLAI-RYRKJORJSA-N 2 2 336.524 1.392 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333928791 444720625 /nfs/dbraw/zinc/72/06/25/444720625.db2.gz XTDLVDNOGADCPR-LSDHHAIUSA-N 2 2 327.432 1.596 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000341140384 444693274 /nfs/dbraw/zinc/69/32/74/444693274.db2.gz UNYYGUULAZICQB-UHFFFAOYSA-N 2 2 346.431 1.539 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1OC ZINC000341140384 444693278 /nfs/dbraw/zinc/69/32/78/444693278.db2.gz UNYYGUULAZICQB-UHFFFAOYSA-N 2 2 346.431 1.539 20 0 EDADLP CN(CCC[N@H+](C)Cc1csc(-c2ncccn2)n1)CC[NH+](C)C ZINC000344050146 444751041 /nfs/dbraw/zinc/75/10/41/444751041.db2.gz ZTGKWEQKEYEKCA-UHFFFAOYSA-N 2 2 348.520 1.915 20 0 EDADLP CN(CCC[N@@H+](C)Cc1csc(-c2ncccn2)n1)CC[NH+](C)C ZINC000344050146 444751044 /nfs/dbraw/zinc/75/10/44/444751044.db2.gz ZTGKWEQKEYEKCA-UHFFFAOYSA-N 2 2 348.520 1.915 20 0 EDADLP CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000341316436 444776320 /nfs/dbraw/zinc/77/63/20/444776320.db2.gz RKSBQBZATVGBBM-IAGOWNOFSA-N 2 2 340.512 1.611 20 0 EDADLP CO[C@@H]1CCCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000341316436 444776325 /nfs/dbraw/zinc/77/63/25/444776325.db2.gz RKSBQBZATVGBBM-IAGOWNOFSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NCC[NH+](C)C)cc1 ZINC000342656712 444800152 /nfs/dbraw/zinc/80/01/52/444800152.db2.gz ATBYMRUVGVYQOX-QGZVFWFLSA-N 2 2 334.464 1.229 20 0 EDADLP CCO[C@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C12CCC2 ZINC000344138475 444801965 /nfs/dbraw/zinc/80/19/65/444801965.db2.gz NJPJCWFAIACFDA-MSOLQXFVSA-N 2 2 339.524 1.314 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000336856643 444805431 /nfs/dbraw/zinc/80/54/31/444805431.db2.gz NJBROYSTVBNUQX-UONOGXRCSA-N 2 2 326.466 1.261 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000336856643 444805433 /nfs/dbraw/zinc/80/54/33/444805433.db2.gz NJBROYSTVBNUQX-UONOGXRCSA-N 2 2 326.466 1.261 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000341405015 444813373 /nfs/dbraw/zinc/81/33/73/444813373.db2.gz SMSPMTGIFXOUSQ-UHFFFAOYSA-N 2 2 342.480 1.968 20 0 EDADLP C[NH+](C)CCOC1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000336869976 444814877 /nfs/dbraw/zinc/81/48/77/444814877.db2.gz GLWXDNLVNCKKHO-UHFFFAOYSA-N 2 2 334.386 1.988 20 0 EDADLP C[NH+](C)CCOC1CC[NH+](Cc2nccn2CC(F)(F)F)CC1 ZINC000336869976 444814881 /nfs/dbraw/zinc/81/48/81/444814881.db2.gz GLWXDNLVNCKKHO-UHFFFAOYSA-N 2 2 334.386 1.988 20 0 EDADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)CCO1 ZINC000336878688 444825755 /nfs/dbraw/zinc/82/57/55/444825755.db2.gz HPFHECDAEKAIQK-DOTOQJQBSA-N 2 2 338.448 1.342 20 0 EDADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)CCO1 ZINC000336878688 444825759 /nfs/dbraw/zinc/82/57/59/444825759.db2.gz HPFHECDAEKAIQK-DOTOQJQBSA-N 2 2 338.448 1.342 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[N@@H+]1C ZINC000344182687 444826017 /nfs/dbraw/zinc/82/60/17/444826017.db2.gz HQQXVAZEHLVBEE-MSOLQXFVSA-N 2 2 345.487 1.940 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[N@H+]1C ZINC000344182687 444826020 /nfs/dbraw/zinc/82/60/20/444826020.db2.gz HQQXVAZEHLVBEE-MSOLQXFVSA-N 2 2 345.487 1.940 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[NH2+]CC1(F)F ZINC000342721658 444833808 /nfs/dbraw/zinc/83/38/08/444833808.db2.gz AEZKZVLRJBMQSX-CQSZACIVSA-N 2 2 339.386 1.702 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)ccc1F ZINC000342719921 444834353 /nfs/dbraw/zinc/83/43/53/444834353.db2.gz YHBKRUTZNPVRGQ-ZDUSSCGKSA-N 2 2 329.366 1.748 20 0 EDADLP Cn1c2c(cccc2F)[nH+]c1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000336988274 444889426 /nfs/dbraw/zinc/88/94/26/444889426.db2.gz WGUQBAOMGVXPET-OAHLLOKOSA-N 2 2 345.422 1.455 20 0 EDADLP Cn1c2c(cccc2F)[nH+]c1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000336988274 444889430 /nfs/dbraw/zinc/88/94/30/444889430.db2.gz WGUQBAOMGVXPET-OAHLLOKOSA-N 2 2 345.422 1.455 20 0 EDADLP Cc1c[nH+]c(CN2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)n1C ZINC000342845315 444890339 /nfs/dbraw/zinc/89/03/39/444890339.db2.gz ILNPTDZTGCLUPA-UHFFFAOYSA-N 2 2 336.480 1.966 20 0 EDADLP Cc1c[nH+]c(CN2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)n1C ZINC000342845315 444890341 /nfs/dbraw/zinc/89/03/41/444890341.db2.gz ILNPTDZTGCLUPA-UHFFFAOYSA-N 2 2 336.480 1.966 20 0 EDADLP CCC(CC)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000339097994 445031241 /nfs/dbraw/zinc/03/12/41/445031241.db2.gz SCCJNBRJUHHMIF-HNNXBMFYSA-N 2 2 347.507 1.611 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)N(C)Cc1[nH+]ccn1C)[NH+](C)C ZINC000341821716 445017708 /nfs/dbraw/zinc/01/77/08/445017708.db2.gz ZZHMSOCJTCIPHV-HNNXBMFYSA-N 2 2 345.447 1.873 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900275 445060543 /nfs/dbraw/zinc/06/05/43/445060543.db2.gz XKPOZLOIJOAACU-QYZOEREBSA-N 2 2 343.471 1.630 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900275 445060545 /nfs/dbraw/zinc/06/05/45/445060545.db2.gz XKPOZLOIJOAACU-QYZOEREBSA-N 2 2 343.471 1.630 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[NH+]2C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341900275 445060546 /nfs/dbraw/zinc/06/05/46/445060546.db2.gz XKPOZLOIJOAACU-QYZOEREBSA-N 2 2 343.471 1.630 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[NH+]2C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341900275 445060548 /nfs/dbraw/zinc/06/05/48/445060548.db2.gz XKPOZLOIJOAACU-QYZOEREBSA-N 2 2 343.471 1.630 20 0 EDADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000337396657 445062105 /nfs/dbraw/zinc/06/21/05/445062105.db2.gz PQDKOGYUFDGSNF-DOTOQJQBSA-N 2 2 335.492 1.779 20 0 EDADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1OC ZINC000337396657 445062107 /nfs/dbraw/zinc/06/21/07/445062107.db2.gz PQDKOGYUFDGSNF-DOTOQJQBSA-N 2 2 335.492 1.779 20 0 EDADLP C[C@@H]1CN(C(=O)COc2ccsc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000337479318 445098898 /nfs/dbraw/zinc/09/88/98/445098898.db2.gz VTYTZADFVISUEN-CQSZACIVSA-N 2 2 337.489 1.754 20 0 EDADLP C[C@@H]1CN(C(=O)COc2ccsc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000337479318 445098905 /nfs/dbraw/zinc/09/89/05/445098905.db2.gz VTYTZADFVISUEN-CQSZACIVSA-N 2 2 337.489 1.754 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000343252264 445161865 /nfs/dbraw/zinc/16/18/65/445161865.db2.gz JANPFMRIRUTPQF-UHFFFAOYSA-N 2 2 329.444 1.511 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000343252264 445161868 /nfs/dbraw/zinc/16/18/68/445161868.db2.gz JANPFMRIRUTPQF-UHFFFAOYSA-N 2 2 329.444 1.511 20 0 EDADLP COc1cc(C)c([C@H](C)NC(=O)C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000342120923 445183423 /nfs/dbraw/zinc/18/34/23/445183423.db2.gz AGMYCOQCKJGKQD-ZDUSSCGKSA-N 2 2 335.448 1.660 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337574299 445145193 /nfs/dbraw/zinc/14/51/93/445145193.db2.gz VCWJYSXSYRRUDL-DOTOQJQBSA-N 2 2 346.475 1.646 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337574299 445145199 /nfs/dbraw/zinc/14/51/99/445145199.db2.gz VCWJYSXSYRRUDL-DOTOQJQBSA-N 2 2 346.475 1.646 20 0 EDADLP CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000337600690 445160238 /nfs/dbraw/zinc/16/02/38/445160238.db2.gz NOQQSCNCLPRDNI-HUUCEWRRSA-N 2 2 340.443 1.662 20 0 EDADLP CC[NH+](CC)CC(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000337600690 445160239 /nfs/dbraw/zinc/16/02/39/445160239.db2.gz NOQQSCNCLPRDNI-HUUCEWRRSA-N 2 2 340.443 1.662 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)C1 ZINC000343400146 445216066 /nfs/dbraw/zinc/21/60/66/445216066.db2.gz RHZJOROOWWPBRJ-SOLBZPMBSA-N 2 2 335.496 1.113 20 0 EDADLP COCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)C1 ZINC000343400146 445216067 /nfs/dbraw/zinc/21/60/67/445216067.db2.gz RHZJOROOWWPBRJ-SOLBZPMBSA-N 2 2 335.496 1.113 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1 ZINC000343400146 445216068 /nfs/dbraw/zinc/21/60/68/445216068.db2.gz RHZJOROOWWPBRJ-SOLBZPMBSA-N 2 2 335.496 1.113 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1 ZINC000343400146 445216069 /nfs/dbraw/zinc/21/60/69/445216069.db2.gz RHZJOROOWWPBRJ-SOLBZPMBSA-N 2 2 335.496 1.113 20 0 EDADLP CC(C)C[C@H](CNc1cc(NCC2CC2)[nH+]cn1)[NH+]1CCOCC1 ZINC000345852662 445200763 /nfs/dbraw/zinc/20/07/63/445200763.db2.gz PCPIFIUBFQEMSC-MRXNPFEDSA-N 2 2 333.480 2.457 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000343437771 445223046 /nfs/dbraw/zinc/22/30/46/445223046.db2.gz CJXWKNORHOHVQA-UHFFFAOYSA-N 2 2 339.443 1.993 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000343437771 445223048 /nfs/dbraw/zinc/22/30/48/445223048.db2.gz CJXWKNORHOHVQA-UHFFFAOYSA-N 2 2 339.443 1.993 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346922490 445228023 /nfs/dbraw/zinc/22/80/23/445228023.db2.gz KTYNGCIVSDYGCR-SOLBZPMBSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346922490 445228024 /nfs/dbraw/zinc/22/80/24/445228024.db2.gz KTYNGCIVSDYGCR-SOLBZPMBSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346922490 445228026 /nfs/dbraw/zinc/22/80/26/445228026.db2.gz KTYNGCIVSDYGCR-SOLBZPMBSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346922490 445228027 /nfs/dbraw/zinc/22/80/27/445228027.db2.gz KTYNGCIVSDYGCR-SOLBZPMBSA-N 2 2 349.523 1.990 20 0 EDADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)[NH+]2CCOCC2)c1 ZINC000343466641 445228243 /nfs/dbraw/zinc/22/82/43/445228243.db2.gz JRFWRDCYAIFVBU-KRWDZBQOSA-N 2 2 333.476 1.606 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000346999684 445229321 /nfs/dbraw/zinc/22/93/21/445229321.db2.gz YWNCUVSJDRHUFR-WMZOPIPTSA-N 2 2 334.533 1.930 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000346999684 445229324 /nfs/dbraw/zinc/22/93/24/445229324.db2.gz YWNCUVSJDRHUFR-WMZOPIPTSA-N 2 2 334.533 1.930 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[NH2+]Cc2cnc3cnccn23)CCC[N@@H+]1C ZINC000343473029 445229369 /nfs/dbraw/zinc/22/93/69/445229369.db2.gz ZDQCMVBSJCFFMC-RDTXWAMCSA-N 2 2 339.447 1.636 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[NH2+]Cc2cnc3cnccn23)CCC[N@H+]1C ZINC000343473029 445229370 /nfs/dbraw/zinc/22/93/70/445229370.db2.gz ZDQCMVBSJCFFMC-RDTXWAMCSA-N 2 2 339.447 1.636 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000343527740 445239229 /nfs/dbraw/zinc/23/92/29/445239229.db2.gz LHFMVSOSWSRMKF-NVXWUHKLSA-N 2 2 328.464 1.510 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2[nH+]ccn2CC(C)C)[N@H+](C)C1 ZINC000347518273 445240449 /nfs/dbraw/zinc/24/04/49/445240449.db2.gz PUCOQYWHIHRFKK-GJZGRUSLSA-N 2 2 337.468 1.400 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2[nH+]ccn2CC(C)C)[N@@H+](C)C1 ZINC000347518273 445240451 /nfs/dbraw/zinc/24/04/51/445240451.db2.gz PUCOQYWHIHRFKK-GJZGRUSLSA-N 2 2 337.468 1.400 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000348362936 445267720 /nfs/dbraw/zinc/26/77/20/445267720.db2.gz DARQSLFEPBTMPL-KRWDZBQOSA-N 2 2 341.521 1.672 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000348362936 445267724 /nfs/dbraw/zinc/26/77/24/445267724.db2.gz DARQSLFEPBTMPL-KRWDZBQOSA-N 2 2 341.521 1.672 20 0 EDADLP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000347527474 445241607 /nfs/dbraw/zinc/24/16/07/445241607.db2.gz RSBBRJLNWKYNIA-GOSISDBHSA-N 2 2 329.444 1.617 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCCO1 ZINC000348193307 445311763 /nfs/dbraw/zinc/31/17/63/445311763.db2.gz NIMLUUDMUSWBQD-GDBMZVCRSA-N 2 2 337.489 1.549 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000343631761 445271354 /nfs/dbraw/zinc/27/13/54/445271354.db2.gz NSTGNZUIOXLSLZ-OAGGEKHMSA-N 2 2 331.464 1.501 20 0 EDADLP CC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+](CC)CC ZINC000343638067 445274896 /nfs/dbraw/zinc/27/48/96/445274896.db2.gz KTXVNPSFJYDUDB-KRWDZBQOSA-N 3 2 326.529 1.591 20 0 EDADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+](CC)CC ZINC000343638067 445274898 /nfs/dbraw/zinc/27/48/98/445274898.db2.gz KTXVNPSFJYDUDB-KRWDZBQOSA-N 3 2 326.529 1.591 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)Cc2nccn2C)cc[nH+]1 ZINC000348166873 445299374 /nfs/dbraw/zinc/29/93/74/445299374.db2.gz GKKFQAVLTFNJEI-UONOGXRCSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)Cc2nccn2C)cc[nH+]1 ZINC000348166873 445299377 /nfs/dbraw/zinc/29/93/77/445299377.db2.gz GKKFQAVLTFNJEI-UONOGXRCSA-N 2 2 347.442 1.325 20 0 EDADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C(N)=O)C1 ZINC000351822873 445333564 /nfs/dbraw/zinc/33/35/64/445333564.db2.gz YRZIKQHUVFDRQM-IEBWSBKVSA-N 2 2 344.503 1.785 20 0 EDADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C(N)=O)C1 ZINC000351822873 445333567 /nfs/dbraw/zinc/33/35/67/445333567.db2.gz YRZIKQHUVFDRQM-IEBWSBKVSA-N 2 2 344.503 1.785 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000354694104 445342960 /nfs/dbraw/zinc/34/29/60/445342960.db2.gz SSFCAHQHGRCDHT-IAGOWNOFSA-N 2 2 341.496 1.103 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000354694104 445342964 /nfs/dbraw/zinc/34/29/64/445342964.db2.gz SSFCAHQHGRCDHT-IAGOWNOFSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000351851283 445343372 /nfs/dbraw/zinc/34/33/72/445343372.db2.gz LBCOTYVKRRSRPW-GOEBONIOSA-N 2 2 327.432 1.158 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000351851283 445343374 /nfs/dbraw/zinc/34/33/74/445343374.db2.gz LBCOTYVKRRSRPW-GOEBONIOSA-N 2 2 327.432 1.158 20 0 EDADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000354702576 445345657 /nfs/dbraw/zinc/34/56/57/445345657.db2.gz YSIWFHHDQFNQDZ-HNNXBMFYSA-N 2 2 327.388 1.069 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@@H](OC)C[NH+]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000348707054 445350374 /nfs/dbraw/zinc/35/03/74/445350374.db2.gz VZTJYGZBEGBARJ-YLFCFFPRSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@@H](OC)C[NH+]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000348707054 445350375 /nfs/dbraw/zinc/35/03/75/445350375.db2.gz VZTJYGZBEGBARJ-YLFCFFPRSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@@H+]1C)[NH+]1CCO[C@H](CC)C1 ZINC000348707054 445350376 /nfs/dbraw/zinc/35/03/76/445350376.db2.gz VZTJYGZBEGBARJ-YLFCFFPRSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@H+]1C)[NH+]1CCO[C@H](CC)C1 ZINC000348707054 445350377 /nfs/dbraw/zinc/35/03/77/445350377.db2.gz VZTJYGZBEGBARJ-YLFCFFPRSA-N 2 2 341.496 1.053 20 0 EDADLP Cc1cn2nc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)sc2n1 ZINC000354744139 445361568 /nfs/dbraw/zinc/36/15/68/445361568.db2.gz HNNVXVNUIMIRRS-CYBMUJFWSA-N 2 2 334.493 1.704 20 0 EDADLP Cc1cn2nc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)sc2n1 ZINC000354744139 445361573 /nfs/dbraw/zinc/36/15/73/445361573.db2.gz HNNVXVNUIMIRRS-CYBMUJFWSA-N 2 2 334.493 1.704 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000357000101 445368861 /nfs/dbraw/zinc/36/88/61/445368861.db2.gz LCCHUHYGDHQYEO-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000357000101 445368863 /nfs/dbraw/zinc/36/88/63/445368863.db2.gz LCCHUHYGDHQYEO-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000348857624 445418898 /nfs/dbraw/zinc/41/88/98/445418898.db2.gz CCYKQULHFYPFDT-AEFFLSMTSA-N 2 2 328.416 1.461 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000348857624 445418901 /nfs/dbraw/zinc/41/89/01/445418901.db2.gz CCYKQULHFYPFDT-AEFFLSMTSA-N 2 2 328.416 1.461 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000357090395 445421469 /nfs/dbraw/zinc/42/14/69/445421469.db2.gz VISKSOGFQLDXQN-ARFHVFGLSA-N 2 2 344.459 1.881 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000357090395 445421478 /nfs/dbraw/zinc/42/14/78/445421478.db2.gz VISKSOGFQLDXQN-ARFHVFGLSA-N 2 2 344.459 1.881 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000357094330 445424903 /nfs/dbraw/zinc/42/49/03/445424903.db2.gz ZJASSJQPVGJFJQ-JKSUJKDBSA-N 2 2 346.450 1.016 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000357094330 445424907 /nfs/dbraw/zinc/42/49/07/445424907.db2.gz ZJASSJQPVGJFJQ-JKSUJKDBSA-N 2 2 346.450 1.016 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351995897 445425320 /nfs/dbraw/zinc/42/53/20/445425320.db2.gz MFAZUUAYJFRDTK-OAHLLOKOSA-N 2 2 330.388 1.645 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351995897 445425326 /nfs/dbraw/zinc/42/53/26/445425326.db2.gz MFAZUUAYJFRDTK-OAHLLOKOSA-N 2 2 330.388 1.645 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357099668 445427338 /nfs/dbraw/zinc/42/73/38/445427338.db2.gz CSRYYKAAUCPUMW-DLBZAZTESA-N 2 2 331.460 1.340 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357099668 445427343 /nfs/dbraw/zinc/42/73/43/445427343.db2.gz CSRYYKAAUCPUMW-DLBZAZTESA-N 2 2 331.460 1.340 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000357102138 445429544 /nfs/dbraw/zinc/42/95/44/445429544.db2.gz IPPQECWNDGGDCH-UHFFFAOYSA-N 2 2 339.486 1.696 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000357057934 445399795 /nfs/dbraw/zinc/39/97/95/445399795.db2.gz PWRAPPVQHLRSAA-UHFFFAOYSA-N 2 2 344.459 1.962 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@H]1[NH+](C)C ZINC000362643664 445475950 /nfs/dbraw/zinc/47/59/50/445475950.db2.gz ZCODHDCGVJYLKR-WMLDXEAASA-N 2 2 327.432 1.964 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000348901534 445434446 /nfs/dbraw/zinc/43/44/46/445434446.db2.gz QLNGOBPHCHODSY-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000348901534 445434449 /nfs/dbraw/zinc/43/44/49/445434449.db2.gz QLNGOBPHCHODSY-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(F)(F)[C@@H](C)C2)C1 ZINC000352017518 445441996 /nfs/dbraw/zinc/44/19/96/445441996.db2.gz HSIQPSHZFRSWQN-GJZGRUSLSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(F)(F)[C@@H](C)C2)C1 ZINC000352017518 445441999 /nfs/dbraw/zinc/44/19/99/445441999.db2.gz HSIQPSHZFRSWQN-GJZGRUSLSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)C1 ZINC000352017518 445442004 /nfs/dbraw/zinc/44/20/04/445442004.db2.gz HSIQPSHZFRSWQN-GJZGRUSLSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)C1 ZINC000352017518 445442008 /nfs/dbraw/zinc/44/20/08/445442008.db2.gz HSIQPSHZFRSWQN-GJZGRUSLSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NC[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000362572688 445446820 /nfs/dbraw/zinc/44/68/20/445446820.db2.gz LCBDVYUAOQUFAS-ZOBUZTSGSA-N 2 2 349.479 1.835 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NC[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000362572688 445446821 /nfs/dbraw/zinc/44/68/21/445446821.db2.gz LCBDVYUAOQUFAS-ZOBUZTSGSA-N 2 2 349.479 1.835 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000352060789 445465561 /nfs/dbraw/zinc/46/55/61/445465561.db2.gz VJLNHMHFUQZRKA-IAGOWNOFSA-N 2 2 325.497 1.866 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000362661529 445484506 /nfs/dbraw/zinc/48/45/06/445484506.db2.gz DZZUHYZCPBMFNU-HPFXQQBRSA-N 2 2 345.491 2.090 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000362661529 445484509 /nfs/dbraw/zinc/48/45/09/445484509.db2.gz DZZUHYZCPBMFNU-HPFXQQBRSA-N 2 2 345.491 2.090 20 0 EDADLP CC(C)(C)CC[NH+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000355859347 445508839 /nfs/dbraw/zinc/50/88/39/445508839.db2.gz PNHSFHACSHLJCP-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc(OC)c1 ZINC000362664554 445486565 /nfs/dbraw/zinc/48/65/65/445486565.db2.gz MQBWNCRERUZVSR-OAHLLOKOSA-N 2 2 333.432 1.100 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc(OC)c1 ZINC000362664554 445486568 /nfs/dbraw/zinc/48/65/68/445486568.db2.gz MQBWNCRERUZVSR-OAHLLOKOSA-N 2 2 333.432 1.100 20 0 EDADLP CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000355814329 445491516 /nfs/dbraw/zinc/49/15/16/445491516.db2.gz SYMJFNQEYOPYOV-OAHLLOKOSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000355814329 445491520 /nfs/dbraw/zinc/49/15/20/445491520.db2.gz SYMJFNQEYOPYOV-OAHLLOKOSA-N 2 2 325.497 1.724 20 0 EDADLP CCOC(=O)COCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352100997 445493749 /nfs/dbraw/zinc/49/37/49/445493749.db2.gz JUNWXOBZHXKNRV-HNNXBMFYSA-N 2 2 335.448 1.979 20 0 EDADLP CCOC(=O)COCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000352100997 445493753 /nfs/dbraw/zinc/49/37/53/445493753.db2.gz JUNWXOBZHXKNRV-HNNXBMFYSA-N 2 2 335.448 1.979 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000362683099 445498169 /nfs/dbraw/zinc/49/81/69/445498169.db2.gz JZUAFSMLDVZJCF-OAHLLOKOSA-N 2 2 347.850 1.384 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000362683099 445498171 /nfs/dbraw/zinc/49/81/71/445498171.db2.gz JZUAFSMLDVZJCF-OAHLLOKOSA-N 2 2 347.850 1.384 20 0 EDADLP O=C(CC[N@@H+]1CCOCC2(CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000360097765 445565083 /nfs/dbraw/zinc/56/50/83/445565083.db2.gz LLECUASHLJUSCU-UHFFFAOYSA-N 2 2 344.459 1.233 20 0 EDADLP O=C(CC[N@H+]1CCOCC2(CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000360097765 445565085 /nfs/dbraw/zinc/56/50/85/445565085.db2.gz LLECUASHLJUSCU-UHFFFAOYSA-N 2 2 344.459 1.233 20 0 EDADLP CC(C)CCc1noc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362838159 445574583 /nfs/dbraw/zinc/57/45/83/445574583.db2.gz NSLYFRNIPHZDMD-AWEZNQCLSA-N 2 2 335.452 1.054 20 0 EDADLP CC(C)CCc1noc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362838159 445574586 /nfs/dbraw/zinc/57/45/86/445574586.db2.gz NSLYFRNIPHZDMD-AWEZNQCLSA-N 2 2 335.452 1.054 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](O)CC(C)(C)C ZINC000362767870 445540808 /nfs/dbraw/zinc/54/08/08/445540808.db2.gz AZBRSYOAELILDW-INIZCTEOSA-N 2 2 327.513 1.658 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](O)CC(C)(C)C ZINC000362767870 445540811 /nfs/dbraw/zinc/54/08/11/445540811.db2.gz AZBRSYOAELILDW-INIZCTEOSA-N 2 2 327.513 1.658 20 0 EDADLP COCc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000362782709 445547790 /nfs/dbraw/zinc/54/77/90/445547790.db2.gz WESPDNYFISKVFM-XLIONFOSSA-N 2 2 347.503 1.670 20 0 EDADLP COCc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000362782709 445547794 /nfs/dbraw/zinc/54/77/94/445547794.db2.gz WESPDNYFISKVFM-XLIONFOSSA-N 2 2 347.503 1.670 20 0 EDADLP COCc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000362782709 445547799 /nfs/dbraw/zinc/54/77/99/445547799.db2.gz WESPDNYFISKVFM-XLIONFOSSA-N 2 2 347.503 1.670 20 0 EDADLP COCc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000362782709 445547801 /nfs/dbraw/zinc/54/78/01/445547801.db2.gz WESPDNYFISKVFM-XLIONFOSSA-N 2 2 347.503 1.670 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000353432508 445599407 /nfs/dbraw/zinc/59/94/07/445599407.db2.gz CIXPCJUFOJFIFQ-HNNXBMFYSA-N 2 2 343.431 1.080 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H](O)Cc2ccccc2)CC1 ZINC000362897195 445601244 /nfs/dbraw/zinc/60/12/44/445601244.db2.gz VKBMHCVLYKWUJO-SFHVURJKSA-N 2 2 333.476 1.122 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358134357 445607192 /nfs/dbraw/zinc/60/71/92/445607192.db2.gz IYDUQHFJQNWYLX-MRXNPFEDSA-N 2 2 333.480 1.950 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358134357 445607197 /nfs/dbraw/zinc/60/71/97/445607197.db2.gz IYDUQHFJQNWYLX-MRXNPFEDSA-N 2 2 333.480 1.950 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CO)c3ccsc3)cn2)CC1 ZINC000349706541 445651458 /nfs/dbraw/zinc/65/14/58/445651458.db2.gz UYYFJADXJVNZKV-HNNXBMFYSA-N 2 2 333.461 1.113 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000360247405 445654790 /nfs/dbraw/zinc/65/47/90/445654790.db2.gz BMRFXUFHUFZBLH-WMLDXEAASA-N 2 2 339.505 1.803 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000360247405 445654793 /nfs/dbraw/zinc/65/47/93/445654793.db2.gz BMRFXUFHUFZBLH-WMLDXEAASA-N 2 2 339.505 1.803 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000349732335 445658404 /nfs/dbraw/zinc/65/84/04/445658404.db2.gz GDVJIPOJZIYJIL-QGZVFWFLSA-N 2 2 341.544 1.386 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H]1C ZINC000363101570 445678585 /nfs/dbraw/zinc/67/85/85/445678585.db2.gz ANJQTYQRTFVNSN-LMMKCTJWSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H]1C ZINC000363101570 445678587 /nfs/dbraw/zinc/67/85/87/445678587.db2.gz ANJQTYQRTFVNSN-LMMKCTJWSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]1C ZINC000363101570 445678589 /nfs/dbraw/zinc/67/85/89/445678589.db2.gz ANJQTYQRTFVNSN-LMMKCTJWSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]1C ZINC000363101570 445678591 /nfs/dbraw/zinc/67/85/91/445678591.db2.gz ANJQTYQRTFVNSN-LMMKCTJWSA-N 2 2 345.487 1.734 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000358663917 445700560 /nfs/dbraw/zinc/70/05/60/445700560.db2.gz KIASPJKNRSSVKN-SJORKVTESA-N 2 2 336.480 1.001 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000358663917 445700564 /nfs/dbraw/zinc/70/05/64/445700564.db2.gz KIASPJKNRSSVKN-SJORKVTESA-N 2 2 336.480 1.001 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000363081176 445670391 /nfs/dbraw/zinc/67/03/91/445670391.db2.gz GGWMUELQPSZIAN-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000363081176 445670395 /nfs/dbraw/zinc/67/03/95/445670395.db2.gz GGWMUELQPSZIAN-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000363218217 445726549 /nfs/dbraw/zinc/72/65/49/445726549.db2.gz GOLSEELRPMSVOZ-IBGZPJMESA-N 2 2 344.503 1.600 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000363218217 445726554 /nfs/dbraw/zinc/72/65/54/445726554.db2.gz GOLSEELRPMSVOZ-IBGZPJMESA-N 2 2 344.503 1.600 20 0 EDADLP C[C@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@H](C)[NH+]1C ZINC000358720779 445741413 /nfs/dbraw/zinc/74/14/13/445741413.db2.gz VVVJBDVRLZEFMS-HOTGVXAUSA-N 2 2 331.460 1.683 20 0 EDADLP Cc1nn(C)c(Cl)c1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363479140 445821103 /nfs/dbraw/zinc/82/11/03/445821103.db2.gz FRZINOFUIZYMGZ-OAHLLOKOSA-N 2 2 339.915 1.982 20 0 EDADLP Cc1nn(C)c(Cl)c1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363479140 445821107 /nfs/dbraw/zinc/82/11/07/445821107.db2.gz FRZINOFUIZYMGZ-OAHLLOKOSA-N 2 2 339.915 1.982 20 0 EDADLP CC(C)NC(=O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358868980 445822476 /nfs/dbraw/zinc/82/24/76/445822476.db2.gz FDQWOMNVZQFIBG-HZPDHXFCSA-N 2 2 341.496 1.101 20 0 EDADLP CCCCc1noc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000363480278 445823520 /nfs/dbraw/zinc/82/35/20/445823520.db2.gz MIUFLYITBYYXHR-INIZCTEOSA-N 2 2 335.496 1.872 20 0 EDADLP CCCCc1noc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)n1 ZINC000363480278 445823521 /nfs/dbraw/zinc/82/35/21/445823521.db2.gz MIUFLYITBYYXHR-INIZCTEOSA-N 2 2 335.496 1.872 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356437635 445789250 /nfs/dbraw/zinc/78/92/50/445789250.db2.gz VZIDBGVKSXTDBG-NEPJUHHUSA-N 2 2 335.452 1.319 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000354003724 445847988 /nfs/dbraw/zinc/84/79/88/445847988.db2.gz UZIWESGKQITHEA-UHFFFAOYSA-N 2 2 346.475 1.470 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000354003724 445847989 /nfs/dbraw/zinc/84/79/89/445847989.db2.gz UZIWESGKQITHEA-UHFFFAOYSA-N 2 2 346.475 1.470 20 0 EDADLP CCC(O)(CC)CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000350557937 445850123 /nfs/dbraw/zinc/85/01/23/445850123.db2.gz PKXSKXGBIJKFJO-UHFFFAOYSA-N 2 2 342.528 1.595 20 0 EDADLP CCC(O)(CC)CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000350557937 445850125 /nfs/dbraw/zinc/85/01/25/445850125.db2.gz PKXSKXGBIJKFJO-UHFFFAOYSA-N 2 2 342.528 1.595 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358938503 445857673 /nfs/dbraw/zinc/85/76/73/445857673.db2.gz LJFWFMUBYAIMIK-INIZCTEOSA-N 3 2 341.544 1.432 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358938503 445857679 /nfs/dbraw/zinc/85/76/79/445857679.db2.gz LJFWFMUBYAIMIK-INIZCTEOSA-N 3 2 341.544 1.432 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)sc2n1 ZINC000363560245 445858297 /nfs/dbraw/zinc/85/82/97/445858297.db2.gz MSDHLYPKMRRQKS-RDBSUJKOSA-N 2 2 345.472 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)sc2n1 ZINC000363560245 445858304 /nfs/dbraw/zinc/85/83/04/445858304.db2.gz MSDHLYPKMRRQKS-RDBSUJKOSA-N 2 2 345.472 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)sc2n1 ZINC000363560245 445858307 /nfs/dbraw/zinc/85/83/07/445858307.db2.gz MSDHLYPKMRRQKS-RDBSUJKOSA-N 2 2 345.472 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)sc2n1 ZINC000363560245 445858311 /nfs/dbraw/zinc/85/83/11/445858311.db2.gz MSDHLYPKMRRQKS-RDBSUJKOSA-N 2 2 345.472 1.376 20 0 EDADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cncc(F)c1 ZINC000358982220 445873732 /nfs/dbraw/zinc/87/37/32/445873732.db2.gz AUKFZIQCUSITEZ-ZDUSSCGKSA-N 2 2 330.411 1.613 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)NCCn3cc[nH+]c3)C2)nc(C)[nH+]1 ZINC000369119930 445939563 /nfs/dbraw/zinc/93/95/63/445939563.db2.gz OAPNMHNUSGTRBR-HNNXBMFYSA-N 2 2 343.435 1.258 20 0 EDADLP C[N@H+](CCCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)C1CCCCC1 ZINC000359020014 445892330 /nfs/dbraw/zinc/89/23/30/445892330.db2.gz GEZCDKRMFBGXIJ-OAHLLOKOSA-N 2 2 333.436 1.527 20 0 EDADLP C[N@@H+](CCCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)C1CCCCC1 ZINC000359020014 445892333 /nfs/dbraw/zinc/89/23/33/445892333.db2.gz GEZCDKRMFBGXIJ-OAHLLOKOSA-N 2 2 333.436 1.527 20 0 EDADLP C[N@H+](CCCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)C1CCCCC1 ZINC000359020014 445892339 /nfs/dbraw/zinc/89/23/39/445892339.db2.gz GEZCDKRMFBGXIJ-OAHLLOKOSA-N 2 2 333.436 1.527 20 0 EDADLP C[N@@H+](CCCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)C1CCCCC1 ZINC000359020014 445892346 /nfs/dbraw/zinc/89/23/46/445892346.db2.gz GEZCDKRMFBGXIJ-OAHLLOKOSA-N 2 2 333.436 1.527 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000361717964 445896179 /nfs/dbraw/zinc/89/61/79/445896179.db2.gz KMLBDBRQLYHDJS-ULQDDVLXSA-N 2 2 335.492 1.668 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000354107000 445908370 /nfs/dbraw/zinc/90/83/70/445908370.db2.gz ICJFICGQKJIQDY-UHFFFAOYSA-N 2 2 348.447 1.800 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000369078808 445914299 /nfs/dbraw/zinc/91/42/99/445914299.db2.gz YTMJVMUKNNSTCC-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000369078808 445914304 /nfs/dbraw/zinc/91/43/04/445914304.db2.gz YTMJVMUKNNSTCC-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000369078808 445914310 /nfs/dbraw/zinc/91/43/10/445914310.db2.gz YTMJVMUKNNSTCC-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000369078808 445914314 /nfs/dbraw/zinc/91/43/14/445914314.db2.gz YTMJVMUKNNSTCC-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP CCC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000361810871 445964794 /nfs/dbraw/zinc/96/47/94/445964794.db2.gz HLDFBBHKOUBKRQ-UHFFFAOYSA-N 2 2 339.524 1.579 20 0 EDADLP CCC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCOCC1 ZINC000361810871 445964797 /nfs/dbraw/zinc/96/47/97/445964797.db2.gz HLDFBBHKOUBKRQ-UHFFFAOYSA-N 2 2 339.524 1.579 20 0 EDADLP CC[N@H+](CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)C(C)C ZINC000354185441 445980211 /nfs/dbraw/zinc/98/02/11/445980211.db2.gz CDWPRCYYIWGYOF-UHFFFAOYSA-N 2 2 334.468 1.347 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)C(C)C ZINC000354185441 445980214 /nfs/dbraw/zinc/98/02/14/445980214.db2.gz CDWPRCYYIWGYOF-UHFFFAOYSA-N 2 2 334.468 1.347 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000365040409 445986870 /nfs/dbraw/zinc/98/68/70/445986870.db2.gz HDVXAPLXXYVRQP-MRXNPFEDSA-N 2 2 331.464 1.481 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000365040409 445986875 /nfs/dbraw/zinc/98/68/75/445986875.db2.gz HDVXAPLXXYVRQP-MRXNPFEDSA-N 2 2 331.464 1.481 20 0 EDADLP Cn1ccnc1[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000373047926 445993343 /nfs/dbraw/zinc/99/33/43/445993343.db2.gz TYWCSMOASBNDLC-OAHLLOKOSA-N 2 2 349.479 1.420 20 0 EDADLP Cn1ccnc1[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000373047926 445993348 /nfs/dbraw/zinc/99/33/48/445993348.db2.gz TYWCSMOASBNDLC-OAHLLOKOSA-N 2 2 349.479 1.420 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000373047926 445993352 /nfs/dbraw/zinc/99/33/52/445993352.db2.gz TYWCSMOASBNDLC-OAHLLOKOSA-N 2 2 349.479 1.420 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000373047926 445993356 /nfs/dbraw/zinc/99/33/56/445993356.db2.gz TYWCSMOASBNDLC-OAHLLOKOSA-N 2 2 349.479 1.420 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCOc2ccccc2)C[C@H]1C ZINC000354224025 446019762 /nfs/dbraw/zinc/01/97/62/446019762.db2.gz MTMUEVSMRKBWCT-SJORKVTESA-N 2 2 333.476 1.986 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCOc2ccccc2)C[C@H]1C ZINC000354224025 446019769 /nfs/dbraw/zinc/01/97/69/446019769.db2.gz MTMUEVSMRKBWCT-SJORKVTESA-N 2 2 333.476 1.986 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCOc2ccccc2)C[C@H]1C ZINC000354224025 446019774 /nfs/dbraw/zinc/01/97/74/446019774.db2.gz MTMUEVSMRKBWCT-SJORKVTESA-N 2 2 333.476 1.986 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCOc2ccccc2)C[C@H]1C ZINC000354224025 446019779 /nfs/dbraw/zinc/01/97/79/446019779.db2.gz MTMUEVSMRKBWCT-SJORKVTESA-N 2 2 333.476 1.986 20 0 EDADLP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C(C)(C)C ZINC000369264545 446030874 /nfs/dbraw/zinc/03/08/74/446030874.db2.gz BMHGFWGKMNAUPO-OAHLLOKOSA-N 2 2 347.507 1.845 20 0 EDADLP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C(C)(C)C ZINC000369264545 446030876 /nfs/dbraw/zinc/03/08/76/446030876.db2.gz BMHGFWGKMNAUPO-OAHLLOKOSA-N 2 2 347.507 1.845 20 0 EDADLP COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000369278750 446045261 /nfs/dbraw/zinc/04/52/61/446045261.db2.gz SWIKLVQOJILRNE-ZDUSSCGKSA-N 2 2 335.423 1.733 20 0 EDADLP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](c3ncc[nH]3)c3ccncc3)C2)CC1 ZINC000365075214 446009002 /nfs/dbraw/zinc/00/90/02/446009002.db2.gz YZGDSKOEASFVOY-AEFFLSMTSA-N 2 2 340.475 1.652 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3cc(Cl)ccc3Cl)CCN2C1=O ZINC000583095770 326001470 /nfs/dbraw/zinc/00/14/70/326001470.db2.gz UUGBDZCMELBVJU-DGCLKSJQSA-N 2 2 344.242 1.616 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3cc(Cl)ccc3Cl)CCN2C1=O ZINC000583095770 326001472 /nfs/dbraw/zinc/00/14/72/326001472.db2.gz UUGBDZCMELBVJU-DGCLKSJQSA-N 2 2 344.242 1.616 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccccc1F ZINC000583201562 326025471 /nfs/dbraw/zinc/02/54/71/326025471.db2.gz KSIWERKEAJOJJT-QGZVFWFLSA-N 2 2 346.406 1.533 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000583208888 326027536 /nfs/dbraw/zinc/02/75/36/326027536.db2.gz SRYCXTRMZAGKCN-KRWDZBQOSA-N 2 2 340.537 1.529 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000583687780 326118725 /nfs/dbraw/zinc/11/87/25/326118725.db2.gz VBEDWQOVLHPUME-WBVHZDCISA-N 2 2 346.475 1.598 20 0 EDADLP CC(C)c1nc(C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000373153512 446062185 /nfs/dbraw/zinc/06/21/85/446062185.db2.gz QFCLWEYPKGFWSV-UHFFFAOYSA-N 2 2 335.452 1.146 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000584169509 326212741 /nfs/dbraw/zinc/21/27/41/326212741.db2.gz BRPRUZOZCNHLKY-UXLLHSPISA-N 2 2 341.521 1.218 20 0 EDADLP COc1cccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000365225958 446088258 /nfs/dbraw/zinc/08/82/58/446088258.db2.gz NDLVDPJSCQLZAN-GOSISDBHSA-N 2 2 345.487 1.865 20 0 EDADLP COc1cccc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000365225958 446088264 /nfs/dbraw/zinc/08/82/64/446088264.db2.gz NDLVDPJSCQLZAN-GOSISDBHSA-N 2 2 345.487 1.865 20 0 EDADLP CCOCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373173063 446072369 /nfs/dbraw/zinc/07/23/69/446072369.db2.gz LVTBKPGKUJDYQP-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCOCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373173063 446072372 /nfs/dbraw/zinc/07/23/72/446072372.db2.gz LVTBKPGKUJDYQP-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](F)C[NH+]2Cc2cccs2)C1 ZINC000351472618 446073060 /nfs/dbraw/zinc/07/30/60/446073060.db2.gz PYBDWEOIGCDSSJ-GUTXKFCHSA-N 2 2 341.452 1.107 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](F)C[NH+]2Cc2cccs2)C1 ZINC000351472618 446073065 /nfs/dbraw/zinc/07/30/65/446073065.db2.gz PYBDWEOIGCDSSJ-GUTXKFCHSA-N 2 2 341.452 1.107 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000351472618 446073070 /nfs/dbraw/zinc/07/30/70/446073070.db2.gz PYBDWEOIGCDSSJ-GUTXKFCHSA-N 2 2 341.452 1.107 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000351472618 446073077 /nfs/dbraw/zinc/07/30/77/446073077.db2.gz PYBDWEOIGCDSSJ-GUTXKFCHSA-N 2 2 341.452 1.107 20 0 EDADLP CN(CC[NH+]1CCCC1)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354293815 446089136 /nfs/dbraw/zinc/08/91/36/446089136.db2.gz AKPXCOIIWAHSPW-UHFFFAOYSA-N 2 2 332.448 1.082 20 0 EDADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359300732 446133735 /nfs/dbraw/zinc/13/37/35/446133735.db2.gz HPQUWNFAAROVRO-RDBSUJKOSA-N 2 2 344.484 1.794 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(OCc2ccccc2)CC1 ZINC000359302737 446134473 /nfs/dbraw/zinc/13/44/73/446134473.db2.gz IRQGLFRJJXGKPQ-ROUUACIJSA-N 2 2 343.471 1.345 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCC1(c2ccccc2)CCOCC1 ZINC000359307776 446139154 /nfs/dbraw/zinc/13/91/54/446139154.db2.gz OQBOOTVCYYVQKT-IRXDYDNUSA-N 2 2 343.471 1.002 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351490722 446093480 /nfs/dbraw/zinc/09/34/80/446093480.db2.gz IWTVOFXHOLSNSA-BPUTZDHNSA-N 2 2 330.432 1.044 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351490722 446093487 /nfs/dbraw/zinc/09/34/87/446093487.db2.gz IWTVOFXHOLSNSA-BPUTZDHNSA-N 2 2 330.432 1.044 20 0 EDADLP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369647192 446140360 /nfs/dbraw/zinc/14/03/60/446140360.db2.gz IWBZDEVWEVCHQN-LJQANCHMSA-N 3 2 348.535 1.488 20 0 EDADLP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369647192 446140364 /nfs/dbraw/zinc/14/03/64/446140364.db2.gz IWBZDEVWEVCHQN-LJQANCHMSA-N 3 2 348.535 1.488 20 0 EDADLP Cc1c([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000365257935 446107739 /nfs/dbraw/zinc/10/77/39/446107739.db2.gz KWLGXVIFULTHIS-DZGCQCFKSA-N 2 2 348.495 1.257 20 0 EDADLP Cc1c([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000365257935 446107742 /nfs/dbraw/zinc/10/77/42/446107742.db2.gz KWLGXVIFULTHIS-DZGCQCFKSA-N 2 2 348.495 1.257 20 0 EDADLP Cc1cc(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369375902 446113923 /nfs/dbraw/zinc/11/39/23/446113923.db2.gz ZPTSAUWLBUSFNV-AWEZNQCLSA-N 2 2 335.452 1.293 20 0 EDADLP Cc1cc(CN(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369375902 446113925 /nfs/dbraw/zinc/11/39/25/446113925.db2.gz ZPTSAUWLBUSFNV-AWEZNQCLSA-N 2 2 335.452 1.293 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(C)C ZINC000351515285 446117696 /nfs/dbraw/zinc/11/76/96/446117696.db2.gz BCSIONSXQYAEJU-WBVHZDCISA-N 2 2 339.480 1.108 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C(C)C ZINC000351515285 446117703 /nfs/dbraw/zinc/11/77/03/446117703.db2.gz BCSIONSXQYAEJU-WBVHZDCISA-N 2 2 339.480 1.108 20 0 EDADLP CCCCOc1cccc(CNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359311288 446141612 /nfs/dbraw/zinc/14/16/12/446141612.db2.gz ULFCMMKOINXOJK-CALCHBBNSA-N 2 2 331.460 1.633 20 0 EDADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359311288 446141616 /nfs/dbraw/zinc/14/16/16/446141616.db2.gz ULFCMMKOINXOJK-CALCHBBNSA-N 2 2 331.460 1.633 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366347232 446166649 /nfs/dbraw/zinc/16/66/49/446166649.db2.gz KZQSBBUOGSJSEP-DLBZAZTESA-N 2 2 349.479 1.416 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC000359362878 446175024 /nfs/dbraw/zinc/17/50/24/446175024.db2.gz RFBMQVOTGXBWRJ-UHFFFAOYSA-N 2 2 331.420 1.792 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000365405551 446190816 /nfs/dbraw/zinc/19/08/16/446190816.db2.gz LWIRYMBVWDBMRA-AWEZNQCLSA-N 2 2 335.452 1.082 20 0 EDADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317752 446145963 /nfs/dbraw/zinc/14/59/63/446145963.db2.gz YDKHCCSBGSVSRK-UTUOFQBUSA-N 2 2 325.359 1.766 20 0 EDADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317752 446145969 /nfs/dbraw/zinc/14/59/69/446145969.db2.gz YDKHCCSBGSVSRK-UTUOFQBUSA-N 2 2 325.359 1.766 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000359408734 446207268 /nfs/dbraw/zinc/20/72/68/446207268.db2.gz CUWSPUDSCJQXRA-PBHICJAKSA-N 2 2 337.489 1.656 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000359408734 446207272 /nfs/dbraw/zinc/20/72/72/446207272.db2.gz CUWSPUDSCJQXRA-PBHICJAKSA-N 2 2 337.489 1.656 20 0 EDADLP CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000362091944 446208177 /nfs/dbraw/zinc/20/81/77/446208177.db2.gz ZDZQAXUUGMFLLM-SFHVURJKSA-N 2 2 335.448 1.733 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)c3cc(C[NH+](C)C)on3)CC2)[nH+]c1 ZINC000359441999 446224311 /nfs/dbraw/zinc/22/43/11/446224311.db2.gz RDARFZNYMVECHD-UHFFFAOYSA-N 2 2 343.431 1.838 20 0 EDADLP c1cncc([C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C2CCC2)c1 ZINC000366493056 446236834 /nfs/dbraw/zinc/23/68/34/446236834.db2.gz WOCSNKFAFPSELC-UXHICEINSA-N 2 2 344.503 1.919 20 0 EDADLP OCC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccco1 ZINC000370349778 446241828 /nfs/dbraw/zinc/24/18/28/446241828.db2.gz SJACKTBFDUOHFQ-QGZVFWFLSA-N 2 2 337.464 1.089 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)C(=O)OC ZINC000362182581 446251063 /nfs/dbraw/zinc/25/10/63/446251063.db2.gz MYZVRMPUKVWGJP-HWMZRRJGSA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1)C(=O)OC ZINC000362182581 446251067 /nfs/dbraw/zinc/25/10/67/446251067.db2.gz MYZVRMPUKVWGJP-HWMZRRJGSA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)C(=O)OC ZINC000362182581 446251069 /nfs/dbraw/zinc/25/10/69/446251069.db2.gz MYZVRMPUKVWGJP-HWMZRRJGSA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)C(=O)OC ZINC000362182581 446251072 /nfs/dbraw/zinc/25/10/72/446251072.db2.gz MYZVRMPUKVWGJP-HWMZRRJGSA-N 2 2 341.496 1.495 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NCC1CC[NH+](C2CC2)CC1 ZINC000365662949 446293190 /nfs/dbraw/zinc/29/31/90/446293190.db2.gz KOFYULCDCFRGKQ-UHFFFAOYSA-N 2 2 345.491 1.936 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000366759806 446338479 /nfs/dbraw/zinc/33/84/79/446338479.db2.gz NYTWEFMDWSSXNC-GOSISDBHSA-N 2 2 346.475 1.585 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000366759806 446338483 /nfs/dbraw/zinc/33/84/83/446338483.db2.gz NYTWEFMDWSSXNC-GOSISDBHSA-N 2 2 346.475 1.585 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000370601553 446351354 /nfs/dbraw/zinc/35/13/54/446351354.db2.gz ACMVHRBJYMNVNN-IRXDYDNUSA-N 2 2 338.496 1.365 20 0 EDADLP CO[C@@H]1CCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366791279 446352939 /nfs/dbraw/zinc/35/29/39/446352939.db2.gz CQVLJRBTEFBYIB-BRWVUGGUSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366791279 446352941 /nfs/dbraw/zinc/35/29/41/446352941.db2.gz CQVLJRBTEFBYIB-BRWVUGGUSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000370615206 446359648 /nfs/dbraw/zinc/35/96/48/446359648.db2.gz ACTVERLFKYVDNM-IMFGXOCKSA-N 2 2 329.488 1.916 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417960366 446400362 /nfs/dbraw/zinc/40/03/62/446400362.db2.gz XJSQRXLAOYEOAG-HUUCEWRRSA-N 2 2 326.391 1.748 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCCCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417960366 446400366 /nfs/dbraw/zinc/40/03/66/446400366.db2.gz XJSQRXLAOYEOAG-HUUCEWRRSA-N 2 2 326.391 1.748 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376327427 446431717 /nfs/dbraw/zinc/43/17/17/446431717.db2.gz JGDAMTOVWOVMGM-WBVHZDCISA-N 2 2 349.479 1.476 20 0 EDADLP C[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)C1CC[NH2+]CC1 ZINC000420265798 446440046 /nfs/dbraw/zinc/44/00/46/446440046.db2.gz CCJGHSNMBYRTRW-UHFFFAOYSA-N 2 2 325.478 1.132 20 0 EDADLP C[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)C1CC[NH2+]CC1 ZINC000420265798 446440052 /nfs/dbraw/zinc/44/00/52/446440052.db2.gz CCJGHSNMBYRTRW-UHFFFAOYSA-N 2 2 325.478 1.132 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1C ZINC000374896347 446443288 /nfs/dbraw/zinc/44/32/88/446443288.db2.gz KOJKUGPDQUMWQU-NVXWUHKLSA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1C ZINC000374896347 446443296 /nfs/dbraw/zinc/44/32/96/446443296.db2.gz KOJKUGPDQUMWQU-NVXWUHKLSA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1C ZINC000374896347 446443303 /nfs/dbraw/zinc/44/33/03/446443303.db2.gz KOJKUGPDQUMWQU-NVXWUHKLSA-N 2 2 334.464 1.589 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1C ZINC000374896347 446443308 /nfs/dbraw/zinc/44/33/08/446443308.db2.gz KOJKUGPDQUMWQU-NVXWUHKLSA-N 2 2 334.464 1.589 20 0 EDADLP CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000423195753 446449882 /nfs/dbraw/zinc/44/98/82/446449882.db2.gz YGTGEWKBOZYOOP-DZOHQFGASA-N 2 2 334.464 1.337 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H]4C(=O)NC[C@H]43)c2cc1C ZINC000366911494 446408258 /nfs/dbraw/zinc/40/82/58/446408258.db2.gz JWLQFJVIPHVHRV-HDMKZQKVSA-N 2 2 342.443 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H]4C(=O)NC[C@H]43)c2cc1C ZINC000366911494 446408264 /nfs/dbraw/zinc/40/82/64/446408264.db2.gz JWLQFJVIPHVHRV-HDMKZQKVSA-N 2 2 342.443 1.224 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376286896 446414720 /nfs/dbraw/zinc/41/47/20/446414720.db2.gz BIROWPIWQIQLEZ-GDBMZVCRSA-N 2 2 335.452 1.086 20 0 EDADLP CC1CC[NH+](CC2CC[NH+](Cc3nc(N)nc(N(C)C)n3)CC2)CC1 ZINC000370752420 446417230 /nfs/dbraw/zinc/41/72/30/446417230.db2.gz FHSVISKAILDHNF-UHFFFAOYSA-N 2 2 347.511 1.464 20 0 EDADLP C[NH2+]CC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000420294502 446457594 /nfs/dbraw/zinc/45/75/94/446457594.db2.gz OOKSABJKFCRSLU-CQSZACIVSA-N 2 2 340.265 1.907 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420295102 446458207 /nfs/dbraw/zinc/45/82/07/446458207.db2.gz UUPRPZSVJMYFBV-UKRRQHHQSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420295102 446458211 /nfs/dbraw/zinc/45/82/11/446458211.db2.gz UUPRPZSVJMYFBV-UKRRQHHQSA-N 2 2 333.432 1.861 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420298020 446460250 /nfs/dbraw/zinc/46/02/50/446460250.db2.gz ZNGJGPNMUSQPBC-KRWDZBQOSA-N 2 2 341.521 1.753 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420298020 446460258 /nfs/dbraw/zinc/46/02/58/446460258.db2.gz ZNGJGPNMUSQPBC-KRWDZBQOSA-N 2 2 341.521 1.753 20 0 EDADLP CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000420311089 446473677 /nfs/dbraw/zinc/47/36/77/446473677.db2.gz GSNJZSHMSYAJFM-LJQANCHMSA-N 3 2 346.519 1.870 20 0 EDADLP CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000420311089 446473681 /nfs/dbraw/zinc/47/36/81/446473681.db2.gz GSNJZSHMSYAJFM-LJQANCHMSA-N 3 2 346.519 1.870 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420311456 446476403 /nfs/dbraw/zinc/47/64/03/446476403.db2.gz VYZNZYOUKVBFDP-DZGCQCFKSA-N 2 2 328.478 1.493 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420311456 446476411 /nfs/dbraw/zinc/47/64/11/446476411.db2.gz VYZNZYOUKVBFDP-DZGCQCFKSA-N 2 2 328.478 1.493 20 0 EDADLP C[C@H]1C[N@H+](CCN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000420318441 446483445 /nfs/dbraw/zinc/48/34/45/446483445.db2.gz WDHFYVVETKEXJF-IRXDYDNUSA-N 2 2 347.507 1.085 20 0 EDADLP C[C@H]1C[N@@H+](CCN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000420318441 446483451 /nfs/dbraw/zinc/48/34/51/446483451.db2.gz WDHFYVVETKEXJF-IRXDYDNUSA-N 2 2 347.507 1.085 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000420317585 446484351 /nfs/dbraw/zinc/48/43/51/446484351.db2.gz ZMRRRZWGYRZSKB-IMJJTQAJSA-N 2 2 331.416 1.471 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000420317585 446484358 /nfs/dbraw/zinc/48/43/58/446484358.db2.gz ZMRRRZWGYRZSKB-IMJJTQAJSA-N 2 2 331.416 1.471 20 0 EDADLP CCOC(=O)CN(C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)c1ccccc1 ZINC000420320557 446485927 /nfs/dbraw/zinc/48/59/27/446485927.db2.gz QPSHLIGMBPLQMI-GOSISDBHSA-N 2 2 335.448 1.546 20 0 EDADLP COC[C@]1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[NH2+]C1 ZINC000423318877 446486771 /nfs/dbraw/zinc/48/67/71/446486771.db2.gz DXZIYQNCEGZBQR-SFHVURJKSA-N 2 2 328.416 1.174 20 0 EDADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000418297840 446489819 /nfs/dbraw/zinc/48/98/19/446489819.db2.gz OWFUCICGHLXRBX-OAHLLOKOSA-N 2 2 326.391 1.702 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])C3CCC3)c[nH+]2)C[C@@H](C)O1 ZINC000423332359 446491934 /nfs/dbraw/zinc/49/19/34/446491934.db2.gz NFTRSZKAGALHDP-XNJGSVPQSA-N 2 2 332.448 1.439 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(COC)c3)CC2)C1 ZINC000370873199 446492206 /nfs/dbraw/zinc/49/22/06/446492206.db2.gz OVFJQYHCMAQBFD-FQEVSTJZSA-N 2 2 347.503 1.671 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(COC)c3)CC2)C1 ZINC000370873199 446492213 /nfs/dbraw/zinc/49/22/13/446492213.db2.gz OVFJQYHCMAQBFD-FQEVSTJZSA-N 2 2 347.503 1.671 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]([NH3+])C2CCC2)[NH+]2CCOCC2)c1 ZINC000423338160 446494576 /nfs/dbraw/zinc/49/45/76/446494576.db2.gz VSJZXNUBAIVQDO-ZWKOTPCHSA-N 2 2 331.460 1.612 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420331891 446502983 /nfs/dbraw/zinc/50/29/83/446502983.db2.gz MSIBKKAQKYYESP-UHFFFAOYSA-N 2 2 335.448 1.474 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420331891 446502990 /nfs/dbraw/zinc/50/29/90/446502990.db2.gz MSIBKKAQKYYESP-UHFFFAOYSA-N 2 2 335.448 1.474 20 0 EDADLP O=S(=O)(C1CC[NH+](CCC[NH+]2CCCC2)CC1)N1CCCC1 ZINC000367092521 446504639 /nfs/dbraw/zinc/50/46/39/446504639.db2.gz FWJPMRMKHGXPHR-UHFFFAOYSA-N 2 2 329.510 1.362 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000420341858 446513845 /nfs/dbraw/zinc/51/38/45/446513845.db2.gz QLXNFLRYLIIHGL-KZNAEPCWSA-N 3 2 330.476 1.089 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000420341858 446513852 /nfs/dbraw/zinc/51/38/52/446513852.db2.gz QLXNFLRYLIIHGL-KZNAEPCWSA-N 3 2 330.476 1.089 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C)[NH2+]C)cc1 ZINC000423403280 446520272 /nfs/dbraw/zinc/52/02/72/446520272.db2.gz XHQPORGPXBFJHA-KGLIPLIRSA-N 2 2 327.494 1.976 20 0 EDADLP CC(C)c1nc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)nc(N(C)C)[nH+]1 ZINC000367215874 446524202 /nfs/dbraw/zinc/52/42/02/446524202.db2.gz OHXGJILFOLJLGG-HUUCEWRRSA-N 2 2 348.495 1.974 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411413653 446528694 /nfs/dbraw/zinc/52/86/94/446528694.db2.gz HJQLGGDMBGANRW-HUUCEWRRSA-N 2 2 341.415 1.358 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411413653 446528701 /nfs/dbraw/zinc/52/87/01/446528701.db2.gz HJQLGGDMBGANRW-HUUCEWRRSA-N 2 2 341.415 1.358 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000418414649 446536125 /nfs/dbraw/zinc/53/61/25/446536125.db2.gz TVVBYPVVFJEJIA-SFHVURJKSA-N 2 2 348.491 1.896 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420356831 446537930 /nfs/dbraw/zinc/53/79/30/446537930.db2.gz GSALFAVUCCLRJA-OAHLLOKOSA-N 3 2 338.521 1.355 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1cccc2ccccc21 ZINC000420359952 446540298 /nfs/dbraw/zinc/54/02/98/446540298.db2.gz WMWNJCWJITUKDS-OFQRWUPVSA-N 2 2 329.444 1.657 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1cccc2ccccc21 ZINC000420359952 446540303 /nfs/dbraw/zinc/54/03/03/446540303.db2.gz WMWNJCWJITUKDS-OFQRWUPVSA-N 2 2 329.444 1.657 20 0 EDADLP C[NH2+]CCC[N@H+](C)CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000420391375 446567552 /nfs/dbraw/zinc/56/75/52/446567552.db2.gz SFAVEWUKEOJGTG-UHFFFAOYSA-N 2 2 341.477 1.350 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000420391375 446567555 /nfs/dbraw/zinc/56/75/55/446567555.db2.gz SFAVEWUKEOJGTG-UHFFFAOYSA-N 2 2 341.477 1.350 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420369128 446549154 /nfs/dbraw/zinc/54/91/54/446549154.db2.gz OBGHQGZCQAMVDI-GDZNZVCISA-N 2 2 333.432 1.778 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420374282 446552628 /nfs/dbraw/zinc/55/26/28/446552628.db2.gz HJTXFSOUCKKNDR-CVEARBPZSA-N 2 2 349.475 1.497 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420374282 446552638 /nfs/dbraw/zinc/55/26/38/446552638.db2.gz HJTXFSOUCKKNDR-CVEARBPZSA-N 2 2 349.475 1.497 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000420392790 446568920 /nfs/dbraw/zinc/56/89/20/446568920.db2.gz ZZVZZVSWQLGVKR-AAEUAGOBSA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc(OC)c1OC ZINC000420392790 446568924 /nfs/dbraw/zinc/56/89/24/446568924.db2.gz ZZVZZVSWQLGVKR-AAEUAGOBSA-N 2 2 337.420 1.320 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000420395208 446570425 /nfs/dbraw/zinc/57/04/25/446570425.db2.gz DCWYYTIJGFBETI-HIFRSBDPSA-N 2 2 332.448 1.244 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000420395208 446570431 /nfs/dbraw/zinc/57/04/31/446570431.db2.gz DCWYYTIJGFBETI-HIFRSBDPSA-N 2 2 332.448 1.244 20 0 EDADLP COCC[NH2+]CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418514328 446574813 /nfs/dbraw/zinc/57/48/13/446574813.db2.gz WXQYKNKOKNGKND-HNNXBMFYSA-N 2 2 349.479 1.344 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCCCC[NH3+])CC2)cc1 ZINC000418512305 446575385 /nfs/dbraw/zinc/57/53/85/446575385.db2.gz QPIANFMBNYNUHE-UHFFFAOYSA-N 2 2 334.464 1.651 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H]1C[NH3+] ZINC000420402159 446575414 /nfs/dbraw/zinc/57/54/14/446575414.db2.gz JUKCGJJNAIXOIT-ZIAGYGMSSA-N 2 2 341.477 1.481 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H]1C[NH3+] ZINC000420402159 446575417 /nfs/dbraw/zinc/57/54/17/446575417.db2.gz JUKCGJJNAIXOIT-ZIAGYGMSSA-N 2 2 341.477 1.481 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])C[C@@H]1Cc1ccccc1 ZINC000418525635 446581769 /nfs/dbraw/zinc/58/17/69/446581769.db2.gz PLIBNQFIRPFZLX-AWEZNQCLSA-N 2 2 326.391 1.149 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])C[C@@H]1Cc1ccccc1 ZINC000418525635 446581773 /nfs/dbraw/zinc/58/17/73/446581773.db2.gz PLIBNQFIRPFZLX-AWEZNQCLSA-N 2 2 326.391 1.149 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420412405 446586282 /nfs/dbraw/zinc/58/62/82/446586282.db2.gz ZBECLPULVYXZAE-RDJZCZTQSA-N 2 2 345.443 1.876 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420412405 446586286 /nfs/dbraw/zinc/58/62/86/446586286.db2.gz ZBECLPULVYXZAE-RDJZCZTQSA-N 2 2 345.443 1.876 20 0 EDADLP C[N@@H+]1CCO[C@H]([C@H](NC[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC000423580103 446586392 /nfs/dbraw/zinc/58/63/92/446586392.db2.gz XGHMVNNIQULNBQ-YESZJQIVSA-N 2 2 339.867 1.290 20 0 EDADLP C[N@H+]1CCO[C@H]([C@H](NC[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC000423580103 446586397 /nfs/dbraw/zinc/58/63/97/446586397.db2.gz XGHMVNNIQULNBQ-YESZJQIVSA-N 2 2 339.867 1.290 20 0 EDADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000367781582 446589908 /nfs/dbraw/zinc/58/99/08/446589908.db2.gz BAWWASUYGWEZMK-UHFFFAOYSA-N 2 2 337.508 1.964 20 0 EDADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000367781582 446589913 /nfs/dbraw/zinc/58/99/13/446589913.db2.gz BAWWASUYGWEZMK-UHFFFAOYSA-N 2 2 337.508 1.964 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH+]1CCOCC1 ZINC000371056436 446601634 /nfs/dbraw/zinc/60/16/34/446601634.db2.gz RYRDUYGORMKSHW-HOTGVXAUSA-N 2 2 349.479 1.276 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000418659544 446639277 /nfs/dbraw/zinc/63/92/77/446639277.db2.gz XMHVBEQLCKRPLU-KZNAEPCWSA-N 2 2 346.475 1.363 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000418659544 446639281 /nfs/dbraw/zinc/63/92/81/446639281.db2.gz XMHVBEQLCKRPLU-KZNAEPCWSA-N 2 2 346.475 1.363 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC(C)(C)CCC[NH3+])CC2 ZINC000423682935 446639584 /nfs/dbraw/zinc/63/95/84/446639584.db2.gz OOZMGOIIYHHRSD-UHFFFAOYSA-N 2 2 349.475 1.696 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC(C)(C)CCC[NH3+])CC2 ZINC000423682935 446639590 /nfs/dbraw/zinc/63/95/90/446639590.db2.gz OOZMGOIIYHHRSD-UHFFFAOYSA-N 2 2 349.475 1.696 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000368128778 446657442 /nfs/dbraw/zinc/65/74/42/446657442.db2.gz JUFYCKYGLIXIEW-OAGGEKHMSA-N 2 2 329.448 1.708 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000368128778 446657448 /nfs/dbraw/zinc/65/74/48/446657448.db2.gz 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0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CCO)C(C)(C)C)C2)CC1 ZINC000368791806 447109306 /nfs/dbraw/zinc/10/93/06/447109306.db2.gz SFEANARSKBOFRI-ZBFHGGJFSA-N 2 2 340.512 1.251 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000372525671 447110108 /nfs/dbraw/zinc/11/01/08/447110108.db2.gz HVQIWQJPPDVBSV-WBVHZDCISA-N 2 2 346.475 1.547 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000372525671 447110114 /nfs/dbraw/zinc/11/01/14/447110114.db2.gz HVQIWQJPPDVBSV-WBVHZDCISA-N 2 2 346.475 1.547 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCc2nnc(-c3ccccc3)o2)n1C ZINC000425341120 447121657 /nfs/dbraw/zinc/12/16/57/447121657.db2.gz FRIMRJYQIBPEFM-UHFFFAOYSA-N 2 2 326.404 1.868 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)on1 ZINC000372477629 447074873 /nfs/dbraw/zinc/07/48/73/447074873.db2.gz HWUWEOBQHNZLDT-VHDGCEQUSA-N 2 2 336.436 1.401 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)on1 ZINC000372477629 447074878 /nfs/dbraw/zinc/07/48/78/447074878.db2.gz HWUWEOBQHNZLDT-VHDGCEQUSA-N 2 2 336.436 1.401 20 0 EDADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000419327951 447093461 /nfs/dbraw/zinc/09/34/61/447093461.db2.gz DDRAZAOJIJFNCJ-IRXDYDNUSA-N 2 2 328.460 1.818 20 0 EDADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000419327951 447093468 /nfs/dbraw/zinc/09/34/68/447093468.db2.gz DDRAZAOJIJFNCJ-IRXDYDNUSA-N 2 2 328.460 1.818 20 0 EDADLP CCCN1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000421353743 447140396 /nfs/dbraw/zinc/14/03/96/447140396.db2.gz QCMHGKGIZGBAPX-MRXNPFEDSA-N 2 2 330.476 1.894 20 0 EDADLP CCCN1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000421356891 447140638 /nfs/dbraw/zinc/14/06/38/447140638.db2.gz YQHBIADVIPINHJ-QGZVFWFLSA-N 2 2 330.476 1.894 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)n1C ZINC000425362432 447127794 /nfs/dbraw/zinc/12/77/94/447127794.db2.gz UYLGFNBCEJPJGJ-UHFFFAOYSA-N 2 2 336.461 1.321 20 0 EDADLP COc1c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377625049 447252263 /nfs/dbraw/zinc/25/22/63/447252263.db2.gz KRVSVKYGNQIWOW-INIZCTEOSA-N 2 2 335.496 1.337 20 0 EDADLP COc1c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377625049 447252268 /nfs/dbraw/zinc/25/22/68/447252268.db2.gz KRVSVKYGNQIWOW-INIZCTEOSA-N 2 2 335.496 1.337 20 0 EDADLP COc1c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377625049 447252275 /nfs/dbraw/zinc/25/22/75/447252275.db2.gz KRVSVKYGNQIWOW-INIZCTEOSA-N 2 2 335.496 1.337 20 0 EDADLP COc1c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377625049 447252280 /nfs/dbraw/zinc/25/22/80/447252280.db2.gz KRVSVKYGNQIWOW-INIZCTEOSA-N 2 2 335.496 1.337 20 0 EDADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCO1 ZINC000377691729 447297652 /nfs/dbraw/zinc/29/76/52/447297652.db2.gz AWSIZVNYWCNIHJ-UHFFFAOYSA-N 2 2 335.448 1.425 20 0 EDADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCO1 ZINC000377691729 447297653 /nfs/dbraw/zinc/29/76/53/447297653.db2.gz AWSIZVNYWCNIHJ-UHFFFAOYSA-N 2 2 335.448 1.425 20 0 EDADLP C[NH+](C)CC1(C(=O)NC(C)(C)C[NH+]2CCOCC2)CCCCC1 ZINC000413960237 447271334 /nfs/dbraw/zinc/27/13/34/447271334.db2.gz PQKFVHSIKZYXCL-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP CCOc1ccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000372762561 447273982 /nfs/dbraw/zinc/27/39/82/447273982.db2.gz CLKRVAPVBHAKSJ-XLIONFOSSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1ccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000372762561 447273989 /nfs/dbraw/zinc/27/39/89/447273989.db2.gz CLKRVAPVBHAKSJ-XLIONFOSSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1 ZINC000372762561 447273991 /nfs/dbraw/zinc/27/39/91/447273991.db2.gz CLKRVAPVBHAKSJ-XLIONFOSSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1 ZINC000372762561 447273993 /nfs/dbraw/zinc/27/39/93/447273993.db2.gz CLKRVAPVBHAKSJ-XLIONFOSSA-N 2 2 347.503 1.922 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415456485 447449678 /nfs/dbraw/zinc/44/96/78/447449678.db2.gz KKHRKXPQMUFKHH-DOMZBBRYSA-N 2 2 327.388 1.054 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCOC2(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000458943031 447511823 /nfs/dbraw/zinc/51/18/23/447511823.db2.gz AEHFTCSNQYCQSA-GOEBONIOSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCOC2(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000458943031 447511828 /nfs/dbraw/zinc/51/18/28/447511828.db2.gz AEHFTCSNQYCQSA-GOEBONIOSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H](CC(C)C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000416188050 447534465 /nfs/dbraw/zinc/53/44/65/447534465.db2.gz HLYSLGGEOKYIBQ-WBVHZDCISA-N 2 2 325.497 1.674 20 0 EDADLP CO[C@@H](CC(C)C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000416188050 447534474 /nfs/dbraw/zinc/53/44/74/447534474.db2.gz HLYSLGGEOKYIBQ-WBVHZDCISA-N 2 2 325.497 1.674 20 0 EDADLP CN(CC(=O)N1CC[NH2+]CC1)c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000420157652 447644228 /nfs/dbraw/zinc/64/42/28/447644228.db2.gz XBAUDMYPMUFCIG-UHFFFAOYSA-N 2 2 336.798 1.895 20 0 EDADLP CCC(C)(C)OCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459230332 447618501 /nfs/dbraw/zinc/61/85/01/447618501.db2.gz ZCKCBMFILJVNJV-UHFFFAOYSA-N 2 2 342.528 1.859 20 0 EDADLP CCC(C)(C)OCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459230332 447618504 /nfs/dbraw/zinc/61/85/04/447618504.db2.gz ZCKCBMFILJVNJV-UHFFFAOYSA-N 2 2 342.528 1.859 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496062788 447700195 /nfs/dbraw/zinc/70/01/95/447700195.db2.gz FSSDPOPEAQDEGY-KKUMJFAQSA-N 2 2 329.485 1.534 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496062788 447700200 /nfs/dbraw/zinc/70/02/00/447700200.db2.gz FSSDPOPEAQDEGY-KKUMJFAQSA-N 2 2 329.485 1.534 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496062788 447700206 /nfs/dbraw/zinc/70/02/06/447700206.db2.gz FSSDPOPEAQDEGY-KKUMJFAQSA-N 2 2 329.485 1.534 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496062788 447700211 /nfs/dbraw/zinc/70/02/11/447700211.db2.gz FSSDPOPEAQDEGY-KKUMJFAQSA-N 2 2 329.485 1.534 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416921612 447709808 /nfs/dbraw/zinc/70/98/08/447709808.db2.gz UZBBATZYKNHNOZ-UHOFOFEASA-N 2 2 345.422 1.946 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451024925 447655134 /nfs/dbraw/zinc/65/51/34/447655134.db2.gz ITPQDLJJHOIYLT-CABCVRRESA-N 2 2 334.464 1.761 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451024925 447655136 /nfs/dbraw/zinc/65/51/36/447655136.db2.gz ITPQDLJJHOIYLT-CABCVRRESA-N 2 2 334.464 1.761 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459408675 447655200 /nfs/dbraw/zinc/65/52/00/447655200.db2.gz XRAWXNTVVWLHFJ-MRXNPFEDSA-N 2 2 331.464 1.386 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459408675 447655205 /nfs/dbraw/zinc/65/52/05/447655205.db2.gz XRAWXNTVVWLHFJ-MRXNPFEDSA-N 2 2 331.464 1.386 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)cc(C)[nH+]1 ZINC000422590642 447659682 /nfs/dbraw/zinc/65/96/82/447659682.db2.gz PGBSMWQZTIYJGI-UHFFFAOYSA-N 2 2 332.448 1.257 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)cc(C)[nH+]1 ZINC000422590642 447659688 /nfs/dbraw/zinc/65/96/88/447659688.db2.gz PGBSMWQZTIYJGI-UHFFFAOYSA-N 2 2 332.448 1.257 20 0 EDADLP CCNc1nc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000420223025 447676264 /nfs/dbraw/zinc/67/62/64/447676264.db2.gz ZFOFUAXABQRUIZ-CQSZACIVSA-N 2 2 347.511 1.904 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]1 ZINC000420223025 447676266 /nfs/dbraw/zinc/67/62/66/447676266.db2.gz ZFOFUAXABQRUIZ-CQSZACIVSA-N 2 2 347.511 1.904 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000420223025 447676268 /nfs/dbraw/zinc/67/62/68/447676268.db2.gz ZFOFUAXABQRUIZ-CQSZACIVSA-N 2 2 347.511 1.904 20 0 EDADLP C[NH2+]CCC1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000420230034 447679578 /nfs/dbraw/zinc/67/95/78/447679578.db2.gz WQHGCFNRBGSLHF-GOEBONIOSA-N 2 2 333.480 1.510 20 0 EDADLP C[NH2+]CCC1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000420230034 447679582 /nfs/dbraw/zinc/67/95/82/447679582.db2.gz WQHGCFNRBGSLHF-GOEBONIOSA-N 2 2 333.480 1.510 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422642641 447686172 /nfs/dbraw/zinc/68/61/72/447686172.db2.gz ZVEHZKFWJJPNES-UHFFFAOYSA-N 2 2 335.423 1.491 20 0 EDADLP Cc1ccc(CCC[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c[nH+]1 ZINC000428281841 447687258 /nfs/dbraw/zinc/68/72/58/447687258.db2.gz BLOKDKMITYQGEA-MRXNPFEDSA-N 2 2 325.478 1.725 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)c[nH+]1 ZINC000428281841 447687262 /nfs/dbraw/zinc/68/72/62/447687262.db2.gz BLOKDKMITYQGEA-MRXNPFEDSA-N 2 2 325.478 1.725 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000416808762 447688633 /nfs/dbraw/zinc/68/86/33/447688633.db2.gz ACEWIEQQWSPCTC-KGLIPLIRSA-N 2 2 338.477 1.158 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416812600 447689606 /nfs/dbraw/zinc/68/96/06/447689606.db2.gz DQNNGIKFHSAYJB-KGLIPLIRSA-N 2 2 340.493 1.548 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416923754 447711514 /nfs/dbraw/zinc/71/15/14/447711514.db2.gz WLZJGXDNEPUWGU-DAXOMENPSA-N 2 2 345.422 1.946 20 0 EDADLP COc1ccc(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c(OC)c1OC ZINC000422701184 447720453 /nfs/dbraw/zinc/72/04/53/447720453.db2.gz IASOGCVHXFWQRL-HIFRSBDPSA-N 2 2 338.448 1.612 20 0 EDADLP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422711122 447723689 /nfs/dbraw/zinc/72/36/89/447723689.db2.gz GQMASRWRFLITAR-ZWKOTPCHSA-N 3 2 331.508 1.844 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714740 447725493 /nfs/dbraw/zinc/72/54/93/447725493.db2.gz LKTVEVJDEAWHFE-NRSPTQNISA-N 3 2 343.515 1.908 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714740 447725497 /nfs/dbraw/zinc/72/54/97/447725497.db2.gz LKTVEVJDEAWHFE-NRSPTQNISA-N 3 2 343.515 1.908 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459666325 447735223 /nfs/dbraw/zinc/73/52/23/447735223.db2.gz RMVWWLKESOISAT-UHFFFAOYSA-N 2 2 333.436 1.517 20 0 EDADLP Cc1cccc(N2CCC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)[nH+]1 ZINC000422757824 447741735 /nfs/dbraw/zinc/74/17/35/447741735.db2.gz JBGVLIANWHCEML-IEBWSBKVSA-N 3 2 330.476 1.715 20 0 EDADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1(N2CCOCC2)CCCCC1 ZINC000422770316 447746442 /nfs/dbraw/zinc/74/64/42/447746442.db2.gz WAAOKYMQUZFZTI-ZWKOTPCHSA-N 2 2 337.508 1.378 20 0 EDADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422777621 447748472 /nfs/dbraw/zinc/74/84/72/447748472.db2.gz CMFCPPWGTGPSMB-SXLOBPIMSA-N 2 2 347.503 1.725 20 0 EDADLP C[C@@H]1CN(C(C)(C)C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000422796718 447752439 /nfs/dbraw/zinc/75/24/39/447752439.db2.gz KHSMDAKWCHLZHD-YALNPMBYSA-N 2 2 325.497 1.231 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@](C)(C[NH3+])C1CC1)CC2 ZINC000422823957 447760576 /nfs/dbraw/zinc/76/05/76/447760576.db2.gz FPRSRKNADSLYBE-LJQANCHMSA-N 2 2 347.459 1.306 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@](C)(C[NH3+])C1CC1)CC2 ZINC000422823957 447760579 /nfs/dbraw/zinc/76/05/79/447760579.db2.gz FPRSRKNADSLYBE-LJQANCHMSA-N 2 2 347.459 1.306 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422846560 447767469 /nfs/dbraw/zinc/76/74/69/447767469.db2.gz QCJSPSDBCVEAFT-BHIYHBOVSA-N 2 2 345.487 1.577 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422849821 447769520 /nfs/dbraw/zinc/76/95/20/447769520.db2.gz MJWFXWKYSUVPFU-QZTJIDSGSA-N 2 2 339.524 1.626 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000422849821 447769522 /nfs/dbraw/zinc/76/95/22/447769522.db2.gz MJWFXWKYSUVPFU-QZTJIDSGSA-N 3 2 339.524 1.626 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000430594306 447782660 /nfs/dbraw/zinc/78/26/60/447782660.db2.gz VGHSLLLSCYZVHF-CYBMUJFWSA-N 2 2 329.242 1.746 20 0 EDADLP FC(F)COc1ncccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423032170 447794281 /nfs/dbraw/zinc/79/42/81/447794281.db2.gz XREUPYMNGAHPOD-UKRRQHHQSA-N 2 2 327.375 1.582 20 0 EDADLP C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000488249008 447844326 /nfs/dbraw/zinc/84/43/26/447844326.db2.gz IHXXGSNULNDVON-RDJZCZTQSA-N 2 2 333.476 1.905 20 0 EDADLP C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000488249008 447844327 /nfs/dbraw/zinc/84/43/27/447844327.db2.gz IHXXGSNULNDVON-RDJZCZTQSA-N 2 2 333.476 1.905 20 0 EDADLP COc1ccccc1C1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000569695215 447869634 /nfs/dbraw/zinc/86/96/34/447869634.db2.gz OUKQZFVVAYELDJ-CQSZACIVSA-N 2 2 332.448 1.011 20 0 EDADLP COc1ccccc1C1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000569695215 447869639 /nfs/dbraw/zinc/86/96/39/447869639.db2.gz OUKQZFVVAYELDJ-CQSZACIVSA-N 2 2 332.448 1.011 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000575758926 447892937 /nfs/dbraw/zinc/89/29/37/447892937.db2.gz JZHSODJZMLSZDJ-OAHLLOKOSA-N 2 2 344.459 1.888 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000575758926 447892942 /nfs/dbraw/zinc/89/29/42/447892942.db2.gz JZHSODJZMLSZDJ-OAHLLOKOSA-N 2 2 344.459 1.888 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000569808684 447896131 /nfs/dbraw/zinc/89/61/31/447896131.db2.gz GAZQVLLTYNKNJG-JKSUJKDBSA-N 2 2 339.480 1.285 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000569808684 447896138 /nfs/dbraw/zinc/89/61/38/447896138.db2.gz GAZQVLLTYNKNJG-JKSUJKDBSA-N 2 2 339.480 1.285 20 0 EDADLP COc1ccccc1C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000569912027 447913760 /nfs/dbraw/zinc/91/37/60/447913760.db2.gz KYMNBBLMOGHZIP-IRXDYDNUSA-N 2 2 348.491 1.547 20 0 EDADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000523255198 447876784 /nfs/dbraw/zinc/87/67/84/447876784.db2.gz IVOBDKOEFJEBPX-ZIAGYGMSSA-N 2 2 328.420 1.655 20 0 EDADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@H+]1CCCC[C@H]1C ZINC000523255198 447876788 /nfs/dbraw/zinc/87/67/88/447876788.db2.gz IVOBDKOEFJEBPX-ZIAGYGMSSA-N 2 2 328.420 1.655 20 0 EDADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496826683 447946841 /nfs/dbraw/zinc/94/68/41/447946841.db2.gz HHIHROMUBFZLQH-MAUKXSAKSA-N 2 2 341.496 1.822 20 0 EDADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496826683 447946846 /nfs/dbraw/zinc/94/68/46/447946846.db2.gz HHIHROMUBFZLQH-MAUKXSAKSA-N 2 2 341.496 1.822 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000576164269 447988586 /nfs/dbraw/zinc/98/85/86/447988586.db2.gz RNSATRIIOBQVNG-UHFFFAOYSA-N 2 2 332.444 1.800 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000570382253 447998190 /nfs/dbraw/zinc/99/81/90/447998190.db2.gz LPZJSLGCZNDKIW-KRWDZBQOSA-N 2 2 332.448 1.070 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1C ZINC000570410317 448007496 /nfs/dbraw/zinc/00/74/96/448007496.db2.gz HDYWRJSCRPFWHO-GOSISDBHSA-N 3 2 328.460 1.975 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1C ZINC000570410317 448007501 /nfs/dbraw/zinc/00/75/01/448007501.db2.gz HDYWRJSCRPFWHO-GOSISDBHSA-N 3 2 328.460 1.975 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000570264271 447971931 /nfs/dbraw/zinc/97/19/31/447971931.db2.gz DBNILFJESMERTL-NVXWUHKLSA-N 2 2 328.416 1.653 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000570264271 447971935 /nfs/dbraw/zinc/97/19/35/447971935.db2.gz DBNILFJESMERTL-NVXWUHKLSA-N 2 2 328.416 1.653 20 0 EDADLP CC(C)C[C@@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)NC(=O)OC(C)(C)C ZINC000497279196 448032838 /nfs/dbraw/zinc/03/28/38/448032838.db2.gz DSZOJRZRHGXMFR-JKSUJKDBSA-N 2 2 342.528 1.761 20 0 EDADLP CC(C)C[C@@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)NC(=O)OC(C)(C)C ZINC000497279196 448032845 /nfs/dbraw/zinc/03/28/45/448032845.db2.gz DSZOJRZRHGXMFR-JKSUJKDBSA-N 2 2 342.528 1.761 20 0 EDADLP C[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)Cn1cc[nH+]c1 ZINC000570582416 448033858 /nfs/dbraw/zinc/03/38/58/448033858.db2.gz VROPIDRIOJRSGK-ZBFHGGJFSA-N 2 2 336.505 1.853 20 0 EDADLP CC[C@@H](C)CS(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000576395691 448044315 /nfs/dbraw/zinc/04/43/15/448044315.db2.gz MLFAJYQQCGOIQQ-MRXNPFEDSA-N 2 2 345.553 1.854 20 0 EDADLP CC[C@@H](C)CS(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000576395691 448044321 /nfs/dbraw/zinc/04/43/21/448044321.db2.gz MLFAJYQQCGOIQQ-MRXNPFEDSA-N 2 2 345.553 1.854 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)[C@@H](C)C1 ZINC000497711084 448073487 /nfs/dbraw/zinc/07/34/87/448073487.db2.gz QKUVUJXYCQQPJM-NQUFMGSDSA-N 2 2 345.491 1.544 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)[C@@H](C)C1 ZINC000497711084 448073491 /nfs/dbraw/zinc/07/34/91/448073491.db2.gz QKUVUJXYCQQPJM-NQUFMGSDSA-N 2 2 345.491 1.544 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000531483337 448091464 /nfs/dbraw/zinc/09/14/64/448091464.db2.gz WSOWMXVOOUIGFS-QWRGUYRKSA-N 2 2 345.369 1.870 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000531483337 448091471 /nfs/dbraw/zinc/09/14/71/448091471.db2.gz WSOWMXVOOUIGFS-QWRGUYRKSA-N 2 2 345.369 1.870 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000511906655 448154269 /nfs/dbraw/zinc/15/42/69/448154269.db2.gz PZLBUBPBGAMXLE-ULQDDVLXSA-N 2 2 338.496 1.365 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000511906655 448154276 /nfs/dbraw/zinc/15/42/76/448154276.db2.gz PZLBUBPBGAMXLE-ULQDDVLXSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000571500674 448162902 /nfs/dbraw/zinc/16/29/02/448162902.db2.gz MVGHKCPFXYVHMQ-SFHVURJKSA-N 2 2 330.476 1.603 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000571500674 448162908 /nfs/dbraw/zinc/16/29/08/448162908.db2.gz MVGHKCPFXYVHMQ-SFHVURJKSA-N 2 2 330.476 1.603 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)C[C@H](C)O1 ZINC000571316101 448136889 /nfs/dbraw/zinc/13/68/89/448136889.db2.gz RQXSMXRXEDVCME-NAODFFGXSA-N 2 2 348.487 1.794 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)C[C@H](C)O1 ZINC000571316101 448136896 /nfs/dbraw/zinc/13/68/96/448136896.db2.gz RQXSMXRXEDVCME-NAODFFGXSA-N 2 2 348.487 1.794 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000576823521 448148176 /nfs/dbraw/zinc/14/81/76/448148176.db2.gz MISKCCJXZZIUMO-GOSISDBHSA-N 2 2 346.431 1.419 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000576823521 448148178 /nfs/dbraw/zinc/14/81/78/448148178.db2.gz MISKCCJXZZIUMO-GOSISDBHSA-N 2 2 346.431 1.419 20 0 EDADLP C[C@H]([NH3+])C1CC[NH+](Cc2nnc3n2c2ccsc2c(=O)n3C)CC1 ZINC000571762697 448200931 /nfs/dbraw/zinc/20/09/31/448200931.db2.gz DKSAOSUVIXFKHC-JTQLQIEISA-N 2 2 346.460 1.202 20 0 EDADLP Cc1cc(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000514931754 448226613 /nfs/dbraw/zinc/22/66/13/448226613.db2.gz BESJJGOIAKFBBK-JKSUJKDBSA-N 2 2 328.420 1.068 20 0 EDADLP C[NH+]1CCN([C@@H](CNC(=O)c2c[nH+]ccc2N)c2cccs2)CC1 ZINC000577182588 448228250 /nfs/dbraw/zinc/22/82/50/448228250.db2.gz OHQMZYSBKNIREN-HNNXBMFYSA-N 2 2 345.472 1.274 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000514944326 448230154 /nfs/dbraw/zinc/23/01/54/448230154.db2.gz PAEIXILFMYKLDU-HOTGVXAUSA-N 2 2 333.476 1.953 20 0 EDADLP Cc1nc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)nc(N(C)C)[nH+]1 ZINC000527490738 448237753 /nfs/dbraw/zinc/23/77/53/448237753.db2.gz KJYQNPQPCCCKML-UHFFFAOYSA-N 2 2 346.866 2.370 20 0 EDADLP Cc1nc(NCC[N@H+]2CCc3c(Cl)cccc3C2)nc(N(C)C)[nH+]1 ZINC000527490738 448237757 /nfs/dbraw/zinc/23/77/57/448237757.db2.gz KJYQNPQPCCCKML-UHFFFAOYSA-N 2 2 346.866 2.370 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccccc1 ZINC000577163922 448222625 /nfs/dbraw/zinc/22/26/25/448222625.db2.gz NTIHOPBXSPMJSL-CHWSQXEVSA-N 2 2 337.374 1.791 20 0 EDADLP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC000527532617 448248606 /nfs/dbraw/zinc/24/86/06/448248606.db2.gz GEYAUFWZMQAWHN-INIZCTEOSA-N 2 2 334.464 1.765 20 0 EDADLP O[C@@H](CNCc1c[nH+]c2n1CCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000515416160 448310769 /nfs/dbraw/zinc/31/07/69/448310769.db2.gz MQHJPQRFYKSBCB-IBGZPJMESA-N 2 2 340.471 1.728 20 0 EDADLP O[C@@H](CNCc1c[nH+]c2n1CCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000515416160 448310772 /nfs/dbraw/zinc/31/07/72/448310772.db2.gz MQHJPQRFYKSBCB-IBGZPJMESA-N 2 2 340.471 1.728 20 0 EDADLP COC(C)(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000532647576 448290114 /nfs/dbraw/zinc/29/01/14/448290114.db2.gz LJFRLYAQPASDIR-UHFFFAOYSA-N 2 2 347.503 1.996 20 0 EDADLP COC(C)(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000532647576 448290120 /nfs/dbraw/zinc/29/01/20/448290120.db2.gz LJFRLYAQPASDIR-UHFFFAOYSA-N 2 2 347.503 1.996 20 0 EDADLP Nc1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)[nH+]c2ccccc12 ZINC000577412881 448293059 /nfs/dbraw/zinc/29/30/59/448293059.db2.gz SCLAMAFOFPBZNS-AWEZNQCLSA-N 2 2 327.432 1.903 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000527689674 448338402 /nfs/dbraw/zinc/33/84/02/448338402.db2.gz CFYOEUWTUWZRFK-UHFFFAOYSA-N 2 2 328.416 1.415 20 0 EDADLP CCOc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H]3CCC[N@H+](C)C3)C2=O)cc1 ZINC000577622402 448343743 /nfs/dbraw/zinc/34/37/43/448343743.db2.gz UWARZYFWVJHTIP-YOEHRIQHSA-N 2 2 345.443 1.649 20 0 EDADLP CCOc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H]3CCC[N@@H+](C)C3)C2=O)cc1 ZINC000577622402 448343746 /nfs/dbraw/zinc/34/37/46/448343746.db2.gz UWARZYFWVJHTIP-YOEHRIQHSA-N 2 2 345.443 1.649 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n[nH]1 ZINC000515856410 448359646 /nfs/dbraw/zinc/35/96/46/448359646.db2.gz SXEOTIMYFJIOEL-SWLSCSKDSA-N 2 2 342.447 1.696 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n[nH]1 ZINC000515856410 448359651 /nfs/dbraw/zinc/35/96/51/448359651.db2.gz SXEOTIMYFJIOEL-SWLSCSKDSA-N 2 2 342.447 1.696 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000572263144 448331644 /nfs/dbraw/zinc/33/16/44/448331644.db2.gz IDDXRFNROWDGRU-WBVHZDCISA-N 2 2 339.443 1.806 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000533311767 448385109 /nfs/dbraw/zinc/38/51/09/448385109.db2.gz OKZJIIVABDBMPU-UHFFFAOYSA-N 2 2 339.443 1.814 20 0 EDADLP COC[C@@]1(C[NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)CCC[NH2+]1 ZINC000572474353 448387235 /nfs/dbraw/zinc/38/72/35/448387235.db2.gz HNPYEVIPKYPGPN-QAPCUYQASA-N 2 2 342.447 1.398 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000572603879 448420729 /nfs/dbraw/zinc/42/07/29/448420729.db2.gz PMJFEZGONRIXEK-OAGGEKHMSA-N 2 2 332.448 1.743 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000572603879 448420735 /nfs/dbraw/zinc/42/07/35/448420735.db2.gz PMJFEZGONRIXEK-OAGGEKHMSA-N 2 2 332.448 1.743 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000583089505 448423274 /nfs/dbraw/zinc/42/32/74/448423274.db2.gz SDTLGJPGLYNMJQ-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)n1-c1ccccc1 ZINC000534334977 448449639 /nfs/dbraw/zinc/44/96/39/448449639.db2.gz VPHWBLVUOHSQSF-INIZCTEOSA-N 2 2 335.429 1.084 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000578110431 448462213 /nfs/dbraw/zinc/46/22/13/448462213.db2.gz XGEJCJKADYTZPJ-UHFFFAOYSA-N 2 2 338.496 1.271 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000572884853 448490617 /nfs/dbraw/zinc/49/06/17/448490617.db2.gz XXKDFCUDSZFCNB-SFHVURJKSA-N 2 2 348.466 1.596 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000591868852 448515201 /nfs/dbraw/zinc/51/52/01/448515201.db2.gz GSPMGEFONLSEML-ULQDDVLXSA-N 2 2 332.448 1.690 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000591868852 448515208 /nfs/dbraw/zinc/51/52/08/448515208.db2.gz GSPMGEFONLSEML-ULQDDVLXSA-N 2 2 332.448 1.690 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)CCN2C1=O ZINC000516981114 448516388 /nfs/dbraw/zinc/51/63/88/448516388.db2.gz JGIICKOXLMRCID-RYUDHWBXSA-N 2 2 329.322 1.329 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)CCN2C1=O ZINC000516981114 448516394 /nfs/dbraw/zinc/51/63/94/448516394.db2.gz JGIICKOXLMRCID-RYUDHWBXSA-N 2 2 329.322 1.329 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCN3CCOC[C@@H]3C)c2cc1C ZINC000572992334 448516618 /nfs/dbraw/zinc/51/66/18/448516618.db2.gz GDRLCQDDRWNNSX-IRXDYDNUSA-N 2 2 346.475 1.324 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000591873238 448523076 /nfs/dbraw/zinc/52/30/76/448523076.db2.gz ZBQFCNPVQGVLES-QGZVFWFLSA-N 2 2 347.507 1.812 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000591873238 448523081 /nfs/dbraw/zinc/52/30/81/448523081.db2.gz ZBQFCNPVQGVLES-QGZVFWFLSA-N 2 2 347.507 1.812 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000517225283 448556201 /nfs/dbraw/zinc/55/62/01/448556201.db2.gz SXKVFUCINHNIME-SJORKVTESA-N 3 2 333.480 1.094 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000517225283 448556205 /nfs/dbraw/zinc/55/62/05/448556205.db2.gz SXKVFUCINHNIME-SJORKVTESA-N 3 2 333.480 1.094 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000573206476 448568217 /nfs/dbraw/zinc/56/82/17/448568217.db2.gz AYDFNLASTZTIPR-HUUCEWRRSA-N 2 2 326.412 1.002 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000573206476 448568222 /nfs/dbraw/zinc/56/82/22/448568222.db2.gz AYDFNLASTZTIPR-HUUCEWRRSA-N 2 2 326.412 1.002 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000517326937 448571666 /nfs/dbraw/zinc/57/16/66/448571666.db2.gz YHTZXWURJUJUHE-QWHCGFSZSA-N 2 2 342.281 1.931 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000517326937 448571668 /nfs/dbraw/zinc/57/16/68/448571668.db2.gz YHTZXWURJUJUHE-QWHCGFSZSA-N 2 2 342.281 1.931 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC(C)(F)F)CC2)CC1 ZINC000573107993 448545422 /nfs/dbraw/zinc/54/54/22/448545422.db2.gz NTZKMTSIKVCOBY-UHFFFAOYSA-N 2 2 332.439 1.843 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC(C)(F)F)CC2)CC1 ZINC000573107993 448545429 /nfs/dbraw/zinc/54/54/29/448545429.db2.gz NTZKMTSIKVCOBY-UHFFFAOYSA-N 2 2 332.439 1.843 20 0 EDADLP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000573377919 448612497 /nfs/dbraw/zinc/61/24/97/448612497.db2.gz ZCDKYYVIUDZKEF-SKDZVZGDSA-N 2 2 349.475 1.003 20 0 EDADLP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000573377919 448612503 /nfs/dbraw/zinc/61/25/03/448612503.db2.gz ZCDKYYVIUDZKEF-SKDZVZGDSA-N 2 2 349.475 1.003 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCCC[NH2+]1 ZINC000578738300 448621911 /nfs/dbraw/zinc/62/19/11/448621911.db2.gz FYSRXNLJZLQKRA-RHSMWYFYSA-N 2 2 337.489 1.847 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000573251618 448581689 /nfs/dbraw/zinc/58/16/89/448581689.db2.gz VCDAMSYGVBNHME-YCPHGPKFSA-N 2 2 336.436 1.080 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000573251618 448581695 /nfs/dbraw/zinc/58/16/95/448581695.db2.gz VCDAMSYGVBNHME-YCPHGPKFSA-N 2 2 336.436 1.080 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000566966990 448592687 /nfs/dbraw/zinc/59/26/87/448592687.db2.gz AATOPWFOVNRLHT-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000566966990 448592695 /nfs/dbraw/zinc/59/26/95/448592695.db2.gz AATOPWFOVNRLHT-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2cncc(Br)c2)CC1 ZINC000517586628 448597115 /nfs/dbraw/zinc/59/71/15/448597115.db2.gz RRGSFOBGZVDCLU-UHFFFAOYSA-N 2 2 328.254 1.781 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000573493249 448641213 /nfs/dbraw/zinc/64/12/13/448641213.db2.gz GXWILMJEOYAOKK-KRWDZBQOSA-N 2 2 340.427 1.234 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000518270413 448659308 /nfs/dbraw/zinc/65/93/08/448659308.db2.gz MUCOIFGSRHOURC-IKGGRYGDSA-N 2 2 340.512 1.611 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000518270413 448659313 /nfs/dbraw/zinc/65/93/13/448659313.db2.gz MUCOIFGSRHOURC-IKGGRYGDSA-N 2 2 340.512 1.611 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)CCN2C1=O ZINC000579005601 448694435 /nfs/dbraw/zinc/69/44/35/448694435.db2.gz HVUHOYSKKABMJU-XJKSGUPXSA-N 2 2 348.878 1.684 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)CCN2C1=O ZINC000579005601 448694438 /nfs/dbraw/zinc/69/44/38/448694438.db2.gz HVUHOYSKKABMJU-XJKSGUPXSA-N 2 2 348.878 1.684 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1)COC1CCOCC1 ZINC000518759462 448706844 /nfs/dbraw/zinc/70/68/44/448706844.db2.gz WDWUMRBBYXUIKO-QGZVFWFLSA-N 2 2 331.416 1.518 20 0 EDADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OC(C)C)c1 ZINC000579098322 448712696 /nfs/dbraw/zinc/71/26/96/448712696.db2.gz UHXSLVAXSXUILP-MRXNPFEDSA-N 2 2 334.464 1.567 20 0 EDADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC(C)C)c1 ZINC000579098322 448712700 /nfs/dbraw/zinc/71/27/00/448712700.db2.gz UHXSLVAXSXUILP-MRXNPFEDSA-N 2 2 334.464 1.567 20 0 EDADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)n2)c1 ZINC000579108284 448716502 /nfs/dbraw/zinc/71/65/02/448716502.db2.gz OIHUBSGIGPNZHN-RDBSUJKOSA-N 2 2 330.436 1.593 20 0 EDADLP [NH3+][C@@H](CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000567795211 448763964 /nfs/dbraw/zinc/76/39/64/448763964.db2.gz CKRVILBVCWPGAD-MRXNPFEDSA-N 2 2 327.432 1.014 20 0 EDADLP C[C@]1(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC[NH2+]C1 ZINC000519392082 448764715 /nfs/dbraw/zinc/76/47/15/448764715.db2.gz RMYWYXSOBQRKMF-IBGZPJMESA-N 2 2 345.443 1.102 20 0 EDADLP CC(C)[C@H](CNC[C@H](O)C[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000567679305 448735913 /nfs/dbraw/zinc/73/59/13/448735913.db2.gz RTTNUJBVBXRROW-ROUUACIJSA-N 2 2 327.513 1.170 20 0 EDADLP C[C@@H](C[NH2+]C[C@H](O)COC1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000573913262 448744075 /nfs/dbraw/zinc/74/40/75/448744075.db2.gz BMQHDLRBHVVTOY-WMZOPIPTSA-N 2 2 336.476 1.653 20 0 EDADLP C[C@@H](C[NH2+]C[C@H](O)COC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000573913262 448744082 /nfs/dbraw/zinc/74/40/82/448744082.db2.gz BMQHDLRBHVVTOY-WMZOPIPTSA-N 2 2 336.476 1.653 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000519175662 448749936 /nfs/dbraw/zinc/74/99/36/448749936.db2.gz YWFHFLUFHWZMMJ-IXDOHACOSA-N 2 2 326.481 1.743 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000519175662 448749938 /nfs/dbraw/zinc/74/99/38/448749938.db2.gz YWFHFLUFHWZMMJ-IXDOHACOSA-N 2 2 326.481 1.743 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000519175662 448749945 /nfs/dbraw/zinc/74/99/45/448749945.db2.gz YWFHFLUFHWZMMJ-IXDOHACOSA-N 2 2 326.481 1.743 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000519175662 448749948 /nfs/dbraw/zinc/74/99/48/448749948.db2.gz YWFHFLUFHWZMMJ-IXDOHACOSA-N 2 2 326.481 1.743 20 0 EDADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000573940259 448754252 /nfs/dbraw/zinc/75/42/52/448754252.db2.gz LTGRMFIHLMSGHT-KGLIPLIRSA-N 2 2 338.477 1.173 20 0 EDADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000519635149 448806882 /nfs/dbraw/zinc/80/68/82/448806882.db2.gz UZEHVBGJQYSIHD-NVXWUHKLSA-N 3 2 347.507 1.400 20 0 EDADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000519635149 448806888 /nfs/dbraw/zinc/80/68/88/448806888.db2.gz UZEHVBGJQYSIHD-NVXWUHKLSA-N 3 2 347.507 1.400 20 0 EDADLP O[C@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000568077385 448811759 /nfs/dbraw/zinc/81/17/59/448811759.db2.gz PRLVNHIDZBRPIX-OAHLLOKOSA-N 2 2 331.382 1.712 20 0 EDADLP COCC[C@H](Cc1ccco1)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000579346039 448771379 /nfs/dbraw/zinc/77/13/79/448771379.db2.gz XPTFHIDBEIHHQZ-NXOAAHMSSA-N 2 2 340.464 1.287 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000568176254 448830525 /nfs/dbraw/zinc/83/05/25/448830525.db2.gz VGPNASXRRLCQCI-IAGOWNOFSA-N 2 2 339.524 1.991 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)Nc1cccc2c1CC[NH2+]C2 ZINC000519747907 448833133 /nfs/dbraw/zinc/83/31/33/448833133.db2.gz LLTPXWJAKNXSFF-UHFFFAOYSA-N 2 2 330.432 1.319 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)C[C@H]2[NH3+])cn1 ZINC000568253840 448846056 /nfs/dbraw/zinc/84/60/56/448846056.db2.gz BXUUJHJJMKTYMY-DZGCQCFKSA-N 2 2 347.850 1.829 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)C[C@H]2[NH3+])cn1 ZINC000568253840 448846062 /nfs/dbraw/zinc/84/60/62/448846062.db2.gz BXUUJHJJMKTYMY-DZGCQCFKSA-N 2 2 347.850 1.829 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000529358166 448839495 /nfs/dbraw/zinc/83/94/95/448839495.db2.gz OKBSIYJWVOJYNN-HNNXBMFYSA-N 2 2 334.489 1.860 20 0 EDADLP O=C(CC[NH2+]C1CC1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000568234622 448841607 /nfs/dbraw/zinc/84/16/07/448841607.db2.gz VXSDDAZQNZXYOF-UHFFFAOYSA-N 2 2 347.459 1.156 20 0 EDADLP CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c[nH+]1 ZINC000592490079 448861010 /nfs/dbraw/zinc/86/10/10/448861010.db2.gz AAYCDSCFPUIUMS-HNNXBMFYSA-N 2 2 331.464 1.964 20 0 EDADLP CN(C)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c[nH+]1 ZINC000592490079 448861016 /nfs/dbraw/zinc/86/10/16/448861016.db2.gz AAYCDSCFPUIUMS-HNNXBMFYSA-N 2 2 331.464 1.964 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCCC[NH2+]C(C)C ZINC000568738139 448912896 /nfs/dbraw/zinc/91/28/96/448912896.db2.gz BTKHCCUBCDQMGF-HNNXBMFYSA-N 2 2 349.479 1.461 20 0 EDADLP CC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000520588068 448915134 /nfs/dbraw/zinc/91/51/34/448915134.db2.gz DWGDGLXMJNGQSZ-CYBMUJFWSA-N 2 2 331.420 1.113 20 0 EDADLP CC[C@@H]([NH3+])C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000520588068 448915141 /nfs/dbraw/zinc/91/51/41/448915141.db2.gz DWGDGLXMJNGQSZ-CYBMUJFWSA-N 2 2 331.420 1.113 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000568858924 448928159 /nfs/dbraw/zinc/92/81/59/448928159.db2.gz UZJMMFDTNBEMMZ-SFHVURJKSA-N 2 2 346.431 1.419 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000568858924 448928164 /nfs/dbraw/zinc/92/81/64/448928164.db2.gz UZJMMFDTNBEMMZ-SFHVURJKSA-N 2 2 346.431 1.419 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000574688312 448932672 /nfs/dbraw/zinc/93/26/72/448932672.db2.gz KQLHDSQIIYTWGY-OAHLLOKOSA-N 2 2 337.468 1.178 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000588288155 448892316 /nfs/dbraw/zinc/89/23/16/448892316.db2.gz IELCAWUEEPCMDI-UHFFFAOYSA-N 2 2 335.452 1.410 20 0 EDADLP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c[nH]1 ZINC000589195937 448986579 /nfs/dbraw/zinc/98/65/79/448986579.db2.gz OZBBCRHDDMTKRG-MRXNPFEDSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1cc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c[nH]1 ZINC000589195937 448986583 /nfs/dbraw/zinc/98/65/83/448986583.db2.gz OZBBCRHDDMTKRG-MRXNPFEDSA-N 2 2 334.464 1.402 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1-n1cccn1 ZINC000521216856 448962971 /nfs/dbraw/zinc/96/29/71/448962971.db2.gz MRDWGSNVJHWAFJ-GJZGRUSLSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1-n1cccn1 ZINC000521216856 448962974 /nfs/dbraw/zinc/96/29/74/448962974.db2.gz MRDWGSNVJHWAFJ-GJZGRUSLSA-N 2 2 342.447 1.218 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1COc2ccccc2C1 ZINC000574822864 448965911 /nfs/dbraw/zinc/96/59/11/448965911.db2.gz NXJYOAXAIVQAPT-PMUMKWKESA-N 2 2 326.400 1.333 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000521267728 448968657 /nfs/dbraw/zinc/96/86/57/448968657.db2.gz XHEUOZQQSXSWSR-IJEWVQPXSA-N 2 2 330.432 1.202 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000521267728 448968660 /nfs/dbraw/zinc/96/86/60/448968660.db2.gz XHEUOZQQSXSWSR-IJEWVQPXSA-N 2 2 330.432 1.202 20 0 EDADLP CCN1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000582052402 448998530 /nfs/dbraw/zinc/99/85/30/448998530.db2.gz MSNBWKFDWCZUKM-LSDHHAIUSA-N 2 2 348.495 1.576 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)Cc1cccs1 ZINC000582057922 449000050 /nfs/dbraw/zinc/00/00/50/449000050.db2.gz KGSWYDZKXOFCFU-CAOSSQGBSA-N 2 2 326.506 1.986 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Cc1cccs1 ZINC000582057922 449000054 /nfs/dbraw/zinc/00/00/54/449000054.db2.gz KGSWYDZKXOFCFU-CAOSSQGBSA-N 2 2 326.506 1.986 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccnc(OC(F)F)c2)C[C@H](C)O1 ZINC000569333752 449004986 /nfs/dbraw/zinc/00/49/86/449004986.db2.gz TUNCTHCVWPLEFI-MBNYWOFBSA-N 2 2 345.390 1.243 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccnc(OC(F)F)c2)C[C@H](C)O1 ZINC000569333752 449004990 /nfs/dbraw/zinc/00/49/90/449004990.db2.gz TUNCTHCVWPLEFI-MBNYWOFBSA-N 2 2 345.390 1.243 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000521519123 448992839 /nfs/dbraw/zinc/99/28/39/448992839.db2.gz FVLQKOBARCWQLX-GDBMZVCRSA-N 2 2 349.479 1.084 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000521519123 448992842 /nfs/dbraw/zinc/99/28/42/448992842.db2.gz FVLQKOBARCWQLX-GDBMZVCRSA-N 2 2 349.479 1.084 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000548656362 449072634 /nfs/dbraw/zinc/07/26/34/449072634.db2.gz AYSILEMSZKIJRC-INIZCTEOSA-N 2 2 331.464 1.715 20 0 EDADLP C[C@@H]1C[NH+](CCCC[N@@H+]2CC[S@](=O)C[C@@H](C)C2)CC[S@](=O)C1 ZINC000582397783 449083868 /nfs/dbraw/zinc/08/38/68/449083868.db2.gz KLASKTOGPVSTJG-KFVVBQDRSA-N 2 2 348.578 1.167 20 0 EDADLP C[C@@H]1C[NH+](CCCC[N@H+]2CC[S@](=O)C[C@@H](C)C2)CC[S@](=O)C1 ZINC000582397783 449083876 /nfs/dbraw/zinc/08/38/76/449083876.db2.gz KLASKTOGPVSTJG-KFVVBQDRSA-N 2 2 348.578 1.167 20 0 EDADLP C[C@@H]1C[N@H+](CCCC[NH+]2CC[S@](=O)C[C@@H](C)C2)CC[S@](=O)C1 ZINC000582397783 449083881 /nfs/dbraw/zinc/08/38/81/449083881.db2.gz KLASKTOGPVSTJG-KFVVBQDRSA-N 2 2 348.578 1.167 20 0 EDADLP C[C@@H]1C[N@@H+](CCCC[NH+]2CC[S@](=O)C[C@@H](C)C2)CC[S@](=O)C1 ZINC000582397783 449083887 /nfs/dbraw/zinc/08/38/87/449083887.db2.gz KLASKTOGPVSTJG-KFVVBQDRSA-N 2 2 348.578 1.167 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000522022097 449044169 /nfs/dbraw/zinc/04/41/69/449044169.db2.gz MUXPPUQNIYMTRJ-DOTOQJQBSA-N 2 2 334.464 1.227 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000582240071 449045890 /nfs/dbraw/zinc/04/58/90/449045890.db2.gz OVXQJPAAJOJLAZ-GOSISDBHSA-N 2 2 342.443 1.944 20 0 EDADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582250667 449047840 /nfs/dbraw/zinc/04/78/40/449047840.db2.gz YSMKZKAAPPMTLE-ZIFCJYIRSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582250667 449047845 /nfs/dbraw/zinc/04/78/45/449047845.db2.gz YSMKZKAAPPMTLE-ZIFCJYIRSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582250667 449047849 /nfs/dbraw/zinc/04/78/49/449047849.db2.gz YSMKZKAAPPMTLE-ZIFCJYIRSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582250667 449047854 /nfs/dbraw/zinc/04/78/54/449047854.db2.gz YSMKZKAAPPMTLE-ZIFCJYIRSA-N 2 2 345.487 1.734 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2ncccc12 ZINC000522190481 449061314 /nfs/dbraw/zinc/06/13/14/449061314.db2.gz VODUTLXDAMSCFK-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2ncccc12 ZINC000522190481 449061321 /nfs/dbraw/zinc/06/13/21/449061321.db2.gz VODUTLXDAMSCFK-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP CC(C)(CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[NH+]1CCCCC1 ZINC000522649758 449086812 /nfs/dbraw/zinc/08/68/12/449086812.db2.gz NYKKPVBKYOSCFJ-UHFFFAOYSA-N 2 2 328.420 1.657 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1([NH+]2CCOCC2)CCCC1 ZINC000548748410 449094201 /nfs/dbraw/zinc/09/42/01/449094201.db2.gz ZCBIGEOYIQNRMK-GJZGRUSLSA-N 2 2 346.475 1.979 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000593737086 449172372 /nfs/dbraw/zinc/17/23/72/449172372.db2.gz LOWSBCGGDXOYBN-GDBMZVCRSA-N 2 2 349.431 1.097 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000593737086 449172374 /nfs/dbraw/zinc/17/23/74/449172374.db2.gz LOWSBCGGDXOYBN-GDBMZVCRSA-N 2 2 349.431 1.097 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000604295707 449202210 /nfs/dbraw/zinc/20/22/10/449202210.db2.gz BTIRICNAFWUROG-IRXDYDNUSA-N 2 2 336.480 1.917 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000604295707 449202215 /nfs/dbraw/zinc/20/22/15/449202215.db2.gz BTIRICNAFWUROG-IRXDYDNUSA-N 2 2 336.480 1.917 20 0 EDADLP COC(=O)[C@@H]([N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1(OC)CCC1 ZINC000595906338 449244557 /nfs/dbraw/zinc/24/45/57/449244557.db2.gz JTCPRMYRGKLWOX-HUUCEWRRSA-N 2 2 328.453 1.140 20 0 EDADLP COC(=O)[C@@H]([N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1(OC)CCC1 ZINC000595906338 449244558 /nfs/dbraw/zinc/24/45/58/449244558.db2.gz JTCPRMYRGKLWOX-HUUCEWRRSA-N 2 2 328.453 1.140 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2Cc3ccccc3NC2=O)CC1 ZINC000600211510 449245905 /nfs/dbraw/zinc/24/59/05/449245905.db2.gz WFSPJQJDSCFJDP-KRWDZBQOSA-N 2 2 345.443 1.557 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)C1 ZINC000604643712 449267961 /nfs/dbraw/zinc/26/79/61/449267961.db2.gz WHFLICGTFIUWBK-QGZVFWFLSA-N 2 2 348.495 1.085 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)C1 ZINC000604643712 449267967 /nfs/dbraw/zinc/26/79/67/449267967.db2.gz WHFLICGTFIUWBK-QGZVFWFLSA-N 2 2 348.495 1.085 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N(CC3CC3)CC3CC3)C2)CC1 ZINC000604656707 449271172 /nfs/dbraw/zinc/27/11/72/449271172.db2.gz KRVPUAMYFLMYBI-KRWDZBQOSA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N(CC3CC3)CC3CC3)C2)CC1 ZINC000604656707 449271173 /nfs/dbraw/zinc/27/11/73/449271173.db2.gz KRVPUAMYFLMYBI-KRWDZBQOSA-N 2 2 334.508 1.987 20 0 EDADLP COC(=O)c1sc2ccccc2c1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593904040 449274478 /nfs/dbraw/zinc/27/44/78/449274478.db2.gz QHBXQCCJCMMRCZ-CYBMUJFWSA-N 2 2 349.456 1.583 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000593457542 449293309 /nfs/dbraw/zinc/29/33/09/449293309.db2.gz NGFYPEPRYQDGKR-KRWDZBQOSA-N 2 2 345.491 1.000 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cn1 ZINC000590853277 449321983 /nfs/dbraw/zinc/32/19/83/449321983.db2.gz WPUYLMDLZKYGGW-OAHLLOKOSA-N 2 2 328.420 1.891 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c[nH+]1 ZINC000590853277 449321986 /nfs/dbraw/zinc/32/19/86/449321986.db2.gz WPUYLMDLZKYGGW-OAHLLOKOSA-N 2 2 328.420 1.891 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000594013838 449322616 /nfs/dbraw/zinc/32/26/16/449322616.db2.gz COORKNPMWJMIAK-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000594013838 449322618 /nfs/dbraw/zinc/32/26/18/449322618.db2.gz COORKNPMWJMIAK-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000594013838 449322620 /nfs/dbraw/zinc/32/26/20/449322620.db2.gz COORKNPMWJMIAK-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000594013838 449322621 /nfs/dbraw/zinc/32/26/21/449322621.db2.gz COORKNPMWJMIAK-JYJNAYRXSA-N 2 2 344.496 1.225 20 0 EDADLP COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000596066317 449344320 /nfs/dbraw/zinc/34/43/20/449344320.db2.gz CLQBUOVDYZQOMT-RBSFLKMASA-N 2 2 331.416 1.555 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C(C)(C)CO)CC1 ZINC000605575125 449399854 /nfs/dbraw/zinc/39/98/54/449399854.db2.gz HITVUQJSQNYXBH-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C(C)(C)CO)CC1 ZINC000605575125 449399860 /nfs/dbraw/zinc/39/98/60/449399860.db2.gz HITVUQJSQNYXBH-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000596173437 449396114 /nfs/dbraw/zinc/39/61/14/449396114.db2.gz VSSXEMRXOJXDAP-UHFFFAOYSA-N 2 2 335.448 1.592 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000596269385 449448236 /nfs/dbraw/zinc/44/82/36/449448236.db2.gz SMRKYRKSBJXIEY-UHFFFAOYSA-N 2 2 333.432 1.488 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000596269385 449448240 /nfs/dbraw/zinc/44/82/40/449448240.db2.gz SMRKYRKSBJXIEY-UHFFFAOYSA-N 2 2 333.432 1.488 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000600643609 449469469 /nfs/dbraw/zinc/46/94/69/449469469.db2.gz IAYHFTLDDXPQIE-ZBFHGGJFSA-N 2 2 328.420 1.367 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000600643609 449469470 /nfs/dbraw/zinc/46/94/70/449469470.db2.gz IAYHFTLDDXPQIE-ZBFHGGJFSA-N 2 2 328.420 1.367 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614129884 449472826 /nfs/dbraw/zinc/47/28/26/449472826.db2.gz DBZSBRKUHXYJMC-KBPBESRZSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614129884 449472827 /nfs/dbraw/zinc/47/28/27/449472827.db2.gz DBZSBRKUHXYJMC-KBPBESRZSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNc2cc(-n3cc[nH+]c3)ncn2)C[C@H](C)O1 ZINC000607142844 449577204 /nfs/dbraw/zinc/57/72/04/449577204.db2.gz ZJTBBBGALNNRDL-OKILXGFUSA-N 2 2 330.436 1.962 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNc2cc(-n3cc[nH+]c3)ncn2)C[C@H](C)O1 ZINC000607142844 449577210 /nfs/dbraw/zinc/57/72/10/449577210.db2.gz ZJTBBBGALNNRDL-OKILXGFUSA-N 2 2 330.436 1.962 20 0 EDADLP CO[C@H](C)CN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000607246107 449589923 /nfs/dbraw/zinc/58/99/23/449589923.db2.gz ZNOIWXUFSPOWNJ-HZPDHXFCSA-N 2 2 340.512 1.610 20 0 EDADLP CO[C@H](C)CN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000607246107 449589927 /nfs/dbraw/zinc/58/99/27/449589927.db2.gz ZNOIWXUFSPOWNJ-HZPDHXFCSA-N 2 2 340.512 1.610 20 0 EDADLP C[S@@](=O)C1(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000602471727 449618736 /nfs/dbraw/zinc/61/87/36/449618736.db2.gz HGHCFUPIWGQPNT-HSZRJFAPSA-N 2 2 343.537 1.068 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(F)c(O)c1F ZINC000617506630 449656299 /nfs/dbraw/zinc/65/62/99/449656299.db2.gz UQWKTBRKJCCCIY-JTQLQIEISA-N 2 2 347.381 1.811 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(F)c(O)c1F ZINC000617506630 449656302 /nfs/dbraw/zinc/65/63/02/449656302.db2.gz UQWKTBRKJCCCIY-JTQLQIEISA-N 2 2 347.381 1.811 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2F)CC1 ZINC000607948522 449679915 /nfs/dbraw/zinc/67/99/15/449679915.db2.gz RTZSFPBBDYQZFO-UHFFFAOYSA-N 2 2 331.395 1.621 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2F)CC1 ZINC000607948522 449679917 /nfs/dbraw/zinc/67/99/17/449679917.db2.gz RTZSFPBBDYQZFO-UHFFFAOYSA-N 2 2 331.395 1.621 20 0 EDADLP O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000612430939 449700500 /nfs/dbraw/zinc/70/05/00/449700500.db2.gz IZNDEMPHSREZIL-GJZGRUSLSA-N 2 2 332.448 1.228 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000612430939 449700504 /nfs/dbraw/zinc/70/05/04/449700504.db2.gz IZNDEMPHSREZIL-GJZGRUSLSA-N 2 2 332.448 1.228 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@@H]2CCc3[nH+]ccn3C2)nc(C)[nH+]1 ZINC000601148893 449717566 /nfs/dbraw/zinc/71/75/66/449717566.db2.gz BFWATQPTZDOZFW-AWEZNQCLSA-N 2 2 343.431 2.152 20 0 EDADLP COC(=O)c1cc(C2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)no1 ZINC000602743661 449778508 /nfs/dbraw/zinc/77/85/08/449778508.db2.gz XCVZEDHRUTXASM-UHFFFAOYSA-N 2 2 330.388 1.984 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)C[NH+]1CCN(C)CC1 ZINC000608313882 449804945 /nfs/dbraw/zinc/80/49/45/449804945.db2.gz QUIITJBIMXCNMJ-AWEZNQCLSA-N 2 2 330.436 1.339 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000617763981 449824312 /nfs/dbraw/zinc/82/43/12/449824312.db2.gz DRTAPITVJLXIPF-UHFFFAOYSA-N 2 2 335.477 1.752 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000617763981 449824316 /nfs/dbraw/zinc/82/43/16/449824316.db2.gz DRTAPITVJLXIPF-UHFFFAOYSA-N 2 2 335.477 1.752 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncccc1Br ZINC000617764408 449824974 /nfs/dbraw/zinc/82/49/74/449824974.db2.gz VUVMBYWZOCLPON-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncccc1Br ZINC000617764408 449824982 /nfs/dbraw/zinc/82/49/82/449824982.db2.gz VUVMBYWZOCLPON-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000617764310 449825315 /nfs/dbraw/zinc/82/53/15/449825315.db2.gz REXWUGLZKZKHBF-KRWDZBQOSA-N 2 2 331.460 1.746 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000617764310 449825319 /nfs/dbraw/zinc/82/53/19/449825319.db2.gz REXWUGLZKZKHBF-KRWDZBQOSA-N 2 2 331.460 1.746 20 0 EDADLP CC(=O)c1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)nc1C ZINC000617765245 449825799 /nfs/dbraw/zinc/82/57/99/449825799.db2.gz YKQHHSSZYKCGKO-UHFFFAOYSA-N 2 2 334.464 1.514 20 0 EDADLP CC(=O)c1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)nc1C ZINC000617765245 449825806 /nfs/dbraw/zinc/82/58/06/449825806.db2.gz YKQHHSSZYKCGKO-UHFFFAOYSA-N 2 2 334.464 1.514 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccc(F)cc1F ZINC000617765538 449827697 /nfs/dbraw/zinc/82/76/97/449827697.db2.gz FOVXXRSHFBPEAG-UHFFFAOYSA-N 2 2 327.419 1.897 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccc(F)cc1F ZINC000617765538 449827701 /nfs/dbraw/zinc/82/77/01/449827701.db2.gz FOVXXRSHFBPEAG-UHFFFAOYSA-N 2 2 327.419 1.897 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1C ZINC000601328706 449837049 /nfs/dbraw/zinc/83/70/49/449837049.db2.gz WNIZQCBPTRGLKR-KDOFPFPSSA-N 2 2 330.432 1.683 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000617734737 449795913 /nfs/dbraw/zinc/79/59/13/449795913.db2.gz HEYNBADFJXRVMH-CVEARBPZSA-N 2 2 349.475 1.466 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000617734737 449795915 /nfs/dbraw/zinc/79/59/15/449795915.db2.gz HEYNBADFJXRVMH-CVEARBPZSA-N 2 2 349.475 1.466 20 0 EDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000599310988 449882326 /nfs/dbraw/zinc/88/23/26/449882326.db2.gz KXHJNGZNQTYXKM-LJQANCHMSA-N 2 2 344.503 1.535 20 0 EDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000599310988 449882331 /nfs/dbraw/zinc/88/23/31/449882331.db2.gz KXHJNGZNQTYXKM-LJQANCHMSA-N 2 2 344.503 1.535 20 0 EDADLP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000599310988 449882347 /nfs/dbraw/zinc/88/23/47/449882347.db2.gz KXHJNGZNQTYXKM-LJQANCHMSA-N 2 2 344.503 1.535 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)s1 ZINC000602889879 449897572 /nfs/dbraw/zinc/89/75/72/449897572.db2.gz FLZQUGRAYOMHCD-MRXNPFEDSA-N 2 2 326.462 1.732 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)s1 ZINC000602889879 449897577 /nfs/dbraw/zinc/89/75/77/449897577.db2.gz FLZQUGRAYOMHCD-MRXNPFEDSA-N 2 2 326.462 1.732 20 0 EDADLP C[C@H](CSCCF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000595052342 449850476 /nfs/dbraw/zinc/85/04/76/449850476.db2.gz XMVYANYAMQCUCO-FFHGMXDLSA-N 2 2 331.501 1.751 20 0 EDADLP C[C@H](CSCCF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000595052342 449850481 /nfs/dbraw/zinc/85/04/81/449850481.db2.gz XMVYANYAMQCUCO-FFHGMXDLSA-N 2 2 331.501 1.751 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615088935 449950439 /nfs/dbraw/zinc/95/04/39/449950439.db2.gz VOIFEJKYYDPJPT-ZIAGYGMSSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615088935 449950442 /nfs/dbraw/zinc/95/04/42/449950442.db2.gz VOIFEJKYYDPJPT-ZIAGYGMSSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615088935 449950445 /nfs/dbraw/zinc/95/04/45/449950445.db2.gz VOIFEJKYYDPJPT-ZIAGYGMSSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615088935 449950449 /nfs/dbraw/zinc/95/04/49/449950449.db2.gz VOIFEJKYYDPJPT-ZIAGYGMSSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C[NH+]1CCN(C)CC1 ZINC000608709215 449917597 /nfs/dbraw/zinc/91/75/97/449917597.db2.gz URGHXRCUSCKGGW-IRXDYDNUSA-N 2 2 348.495 1.113 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612965539 449961854 /nfs/dbraw/zinc/96/18/54/449961854.db2.gz ZQZZFXKPVRRLTL-OAHLLOKOSA-N 2 2 329.448 1.623 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000609260072 449990263 /nfs/dbraw/zinc/99/02/63/449990263.db2.gz HQVCZLNNJCJULN-HOTGVXAUSA-N 2 2 348.447 1.322 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000609260072 449990268 /nfs/dbraw/zinc/99/02/68/449990268.db2.gz HQVCZLNNJCJULN-HOTGVXAUSA-N 2 2 348.447 1.322 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000601476983 450000455 /nfs/dbraw/zinc/00/04/55/450000455.db2.gz NKEDHMWMDNPQJA-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000601476983 450000459 /nfs/dbraw/zinc/00/04/59/450000459.db2.gz NKEDHMWMDNPQJA-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476983 450000466 /nfs/dbraw/zinc/00/04/66/450000466.db2.gz NKEDHMWMDNPQJA-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476983 450000470 /nfs/dbraw/zinc/00/04/70/450000470.db2.gz NKEDHMWMDNPQJA-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477719 450001529 /nfs/dbraw/zinc/00/15/29/450001529.db2.gz TZPYZLBSYDBQNM-INIZCTEOSA-N 2 2 347.507 1.784 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477719 450001534 /nfs/dbraw/zinc/00/15/34/450001534.db2.gz TZPYZLBSYDBQNM-INIZCTEOSA-N 2 2 347.507 1.784 20 0 EDADLP COC(=O)CCN1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1=O ZINC000595298173 450011758 /nfs/dbraw/zinc/01/17/58/450011758.db2.gz PSKULFDCSAZSGE-MRXNPFEDSA-N 2 2 337.464 1.101 20 0 EDADLP CC(C)C[C@H](NC(=O)CCc1[nH]cc[nH+]1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000615229316 450013001 /nfs/dbraw/zinc/01/30/01/450013001.db2.gz YRNBMJDTTNOHGH-GJZGRUSLSA-N 2 2 349.479 1.036 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC000603065564 450048301 /nfs/dbraw/zinc/04/83/01/450048301.db2.gz FZZJDDZDHADYST-INIZCTEOSA-N 2 2 346.431 1.550 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000625287069 450274489 /nfs/dbraw/zinc/27/44/89/450274489.db2.gz IUXQIPFOVYPRQY-MRXNPFEDSA-N 2 2 336.480 1.571 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccn1)CC2 ZINC000625346878 450306226 /nfs/dbraw/zinc/30/62/26/450306226.db2.gz BVZVIKTUSRQEKS-INIZCTEOSA-N 2 2 341.459 1.739 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([S@](C)=O)c3)C2)CC1 ZINC000613774690 450309261 /nfs/dbraw/zinc/30/92/61/450309261.db2.gz UTLCVDCDTHTMDF-MYYSRTQBSA-N 2 2 349.500 1.322 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([S@](C)=O)c3)C2)CC1 ZINC000613774690 450309264 /nfs/dbraw/zinc/30/92/64/450309264.db2.gz UTLCVDCDTHTMDF-MYYSRTQBSA-N 2 2 349.500 1.322 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000623271046 450472392 /nfs/dbraw/zinc/47/23/92/450472392.db2.gz RJZOKNCBNKPNOF-CVEARBPZSA-N 2 2 325.416 1.231 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000623271046 450472395 /nfs/dbraw/zinc/47/23/95/450472395.db2.gz RJZOKNCBNKPNOF-CVEARBPZSA-N 2 2 325.416 1.231 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCCC(F)(F)CC1)[NH+]1CCOCC1 ZINC000625766607 450500624 /nfs/dbraw/zinc/50/06/24/450500624.db2.gz SLABXNTUFWJMLO-UHFFFAOYSA-N 2 2 333.423 1.335 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCCC(F)(F)CC1)[NH+]1CCOCC1 ZINC000625766607 450500627 /nfs/dbraw/zinc/50/06/27/450500627.db2.gz SLABXNTUFWJMLO-UHFFFAOYSA-N 2 2 333.423 1.335 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623425349 450520356 /nfs/dbraw/zinc/52/03/56/450520356.db2.gz YXPGWANGSDRGOT-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623425349 450520357 /nfs/dbraw/zinc/52/03/57/450520357.db2.gz YXPGWANGSDRGOT-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000623519044 450536822 /nfs/dbraw/zinc/53/68/22/450536822.db2.gz VPXJDUWWRDMLER-QGZVFWFLSA-N 2 2 338.496 1.271 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000623519044 450536824 /nfs/dbraw/zinc/53/68/24/450536824.db2.gz VPXJDUWWRDMLER-QGZVFWFLSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000623550917 450541982 /nfs/dbraw/zinc/54/19/82/450541982.db2.gz DARWBVXAYZVRJM-CVEARBPZSA-N 2 2 334.464 1.227 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000623550917 450541984 /nfs/dbraw/zinc/54/19/84/450541984.db2.gz DARWBVXAYZVRJM-CVEARBPZSA-N 2 2 334.464 1.227 20 0 EDADLP COc1cc2c(c(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)c1)O[C@H](C)C2 ZINC000623618200 450552174 /nfs/dbraw/zinc/55/21/74/450552174.db2.gz HMNGBIJCFPJLPD-DYVFJYSZSA-N 2 2 347.459 1.448 20 0 EDADLP CC[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000620903602 450558055 /nfs/dbraw/zinc/55/80/55/450558055.db2.gz XEBCTXLWWVBBIZ-QFBILLFUSA-N 2 2 344.503 1.647 20 0 EDADLP c1cn2c(cccc2C[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)[nH+]1 ZINC000623652971 450560992 /nfs/dbraw/zinc/56/09/92/450560992.db2.gz VBBYXEPHLSWJJZ-ZDUSSCGKSA-N 2 2 334.387 1.141 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)CC(C)C ZINC000623706295 450568649 /nfs/dbraw/zinc/56/86/49/450568649.db2.gz SWGANACYAZHSLW-JKSUJKDBSA-N 2 2 328.501 1.373 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)CC(C)C ZINC000623706295 450568651 /nfs/dbraw/zinc/56/86/51/450568651.db2.gz SWGANACYAZHSLW-JKSUJKDBSA-N 2 2 328.501 1.373 20 0 EDADLP COc1ccc([C@@H]2CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1F ZINC000626124170 450578836 /nfs/dbraw/zinc/57/88/36/450578836.db2.gz IEPLZIOKWFCYPT-OAHLLOKOSA-N 2 2 335.423 1.398 20 0 EDADLP COc1ccc([C@@H]2CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1F ZINC000626124170 450578838 /nfs/dbraw/zinc/57/88/38/450578838.db2.gz IEPLZIOKWFCYPT-OAHLLOKOSA-N 2 2 335.423 1.398 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000621108255 450582090 /nfs/dbraw/zinc/58/20/90/450582090.db2.gz WUVIBXSMJNIBNP-QGZVFWFLSA-N 2 2 335.492 1.480 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000621108255 450582093 /nfs/dbraw/zinc/58/20/93/450582093.db2.gz WUVIBXSMJNIBNP-QGZVFWFLSA-N 2 2 335.492 1.480 20 0 EDADLP c1nc2c(s1)CCC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000623895648 450627864 /nfs/dbraw/zinc/62/78/64/450627864.db2.gz YIAWBJIIZJFKQD-HUUCEWRRSA-N 2 2 336.505 1.517 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c[nH+]cn1C ZINC000621109995 450582418 /nfs/dbraw/zinc/58/24/18/450582418.db2.gz HKRAIOFKJZMCRD-NVXWUHKLSA-N 2 2 333.480 1.261 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1c[nH+]cn1C ZINC000621109995 450582419 /nfs/dbraw/zinc/58/24/19/450582419.db2.gz HKRAIOFKJZMCRD-NVXWUHKLSA-N 2 2 333.480 1.261 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)ccc2n1C ZINC000633014214 450612081 /nfs/dbraw/zinc/61/20/81/450612081.db2.gz YITFQSBEHDLZST-ZDUSSCGKSA-N 2 2 343.431 1.550 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000631491779 450621851 /nfs/dbraw/zinc/62/18/51/450621851.db2.gz CVCPPVQZUZKZOL-HOTGVXAUSA-N 2 2 347.507 1.994 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000631491779 450621858 /nfs/dbraw/zinc/62/18/58/450621858.db2.gz CVCPPVQZUZKZOL-HOTGVXAUSA-N 2 2 347.507 1.994 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000626201858 450622563 /nfs/dbraw/zinc/62/25/63/450622563.db2.gz ZWQBJEFLJSBMBT-HZPDHXFCSA-N 2 2 334.464 1.107 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000626201858 450622566 /nfs/dbraw/zinc/62/25/66/450622566.db2.gz ZWQBJEFLJSBMBT-HZPDHXFCSA-N 2 2 334.464 1.107 20 0 EDADLP CC(C)(O)C[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623929813 450638952 /nfs/dbraw/zinc/63/89/52/450638952.db2.gz VLPXFRLHTAGOHK-UHFFFAOYSA-N 2 2 325.416 1.775 20 0 EDADLP c1cc(C[NH2+]CCC[NH+]2CCOCC2)n(CCc2ccccc2)n1 ZINC000621325559 450686584 /nfs/dbraw/zinc/68/65/84/450686584.db2.gz BIEULOFQBJZALJ-UHFFFAOYSA-N 2 2 328.460 1.938 20 0 EDADLP Cc1cc(CNC(=O)NC[C@@H]2COCC[N@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000624085362 450700926 /nfs/dbraw/zinc/70/09/26/450700926.db2.gz PEAHDFTVSXZZIL-MRXNPFEDSA-N 2 2 347.463 1.120 20 0 EDADLP Cc1cc(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000624085362 450700931 /nfs/dbraw/zinc/70/09/31/450700931.db2.gz PEAHDFTVSXZZIL-MRXNPFEDSA-N 2 2 347.463 1.120 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000631708501 450725144 /nfs/dbraw/zinc/72/51/44/450725144.db2.gz FAHCTUSYUIAHCC-MRXNPFEDSA-N 2 2 325.478 1.180 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000631708501 450725148 /nfs/dbraw/zinc/72/51/48/450725148.db2.gz FAHCTUSYUIAHCC-MRXNPFEDSA-N 2 2 325.478 1.180 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC([N@H+]3CCOC[C@H]3C)CC1)CC2 ZINC000627427281 450727133 /nfs/dbraw/zinc/72/71/33/450727133.db2.gz AVHQKDNHXBAIAK-HZPDHXFCSA-N 2 2 346.475 1.466 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC([N@@H+]3CCOC[C@H]3C)CC1)CC2 ZINC000627427281 450727141 /nfs/dbraw/zinc/72/71/41/450727141.db2.gz AVHQKDNHXBAIAK-HZPDHXFCSA-N 2 2 346.475 1.466 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC([N@H+]3CCOC[C@@H]3C)CC1)CC2 ZINC000627427280 450727378 /nfs/dbraw/zinc/72/73/78/450727378.db2.gz AVHQKDNHXBAIAK-HOTGVXAUSA-N 2 2 346.475 1.466 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC([N@@H+]3CCOC[C@@H]3C)CC1)CC2 ZINC000627427280 450727384 /nfs/dbraw/zinc/72/73/84/450727384.db2.gz AVHQKDNHXBAIAK-HOTGVXAUSA-N 2 2 346.475 1.466 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C[NH+]1CCCC1 ZINC000629557065 450734608 /nfs/dbraw/zinc/73/46/08/450734608.db2.gz AYIRXSAMOFDENQ-LJQANCHMSA-N 3 2 333.476 1.065 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc(CN2CCOCC2)c1)C[NH+]1CCCC1 ZINC000629557065 450734614 /nfs/dbraw/zinc/73/46/14/450734614.db2.gz AYIRXSAMOFDENQ-LJQANCHMSA-N 2 2 333.476 1.065 20 0 EDADLP Cn1c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)nc2ccc(Cl)cc21 ZINC000629654112 450772232 /nfs/dbraw/zinc/77/22/32/450772232.db2.gz VERGXUMMOSRNRS-UHFFFAOYSA-N 2 2 332.795 1.471 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585143 450750043 /nfs/dbraw/zinc/75/00/43/450750043.db2.gz LKECXYFVNXBJHL-JFRXWTBNSA-N 2 2 337.508 1.629 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585143 450750049 /nfs/dbraw/zinc/75/00/49/450750049.db2.gz LKECXYFVNXBJHL-JFRXWTBNSA-N 2 2 337.508 1.629 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633253656 450759077 /nfs/dbraw/zinc/75/90/77/450759077.db2.gz YTNPCQSHXLCZID-INIZCTEOSA-N 2 2 328.416 1.653 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633253656 450759079 /nfs/dbraw/zinc/75/90/79/450759079.db2.gz YTNPCQSHXLCZID-INIZCTEOSA-N 2 2 328.416 1.653 20 0 EDADLP C[NH2+]CCn1cc(-c2ccc(OCC[NH+]3CCOCC3)c(C)c2)cn1 ZINC000629703085 450785684 /nfs/dbraw/zinc/78/56/84/450785684.db2.gz YUJWZKFYUQHBRL-UHFFFAOYSA-N 2 2 344.459 1.789 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)NCCNc1ccc2ccccc2[nH+]1 ZINC000621642995 450808346 /nfs/dbraw/zinc/80/83/46/450808346.db2.gz ZJHDXIYJTSDTPH-HNNXBMFYSA-N 2 2 326.444 2.543 20 0 EDADLP CN(CCCNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)c1ccccc1 ZINC000631867952 450836792 /nfs/dbraw/zinc/83/67/92/450836792.db2.gz QBPFQSGZTUHNNU-APWZRJJASA-N 2 2 330.476 1.361 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886953 450849190 /nfs/dbraw/zinc/84/91/90/450849190.db2.gz NGEPZURIGXJURF-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886953 450849193 /nfs/dbraw/zinc/84/91/93/450849193.db2.gz NGEPZURIGXJURF-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000633447411 450855538 /nfs/dbraw/zinc/85/55/38/450855538.db2.gz WCHVZUQJWYGSPQ-CVEARBPZSA-N 2 2 342.443 1.328 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C[N@H+]1CCO ZINC000633447411 450855540 /nfs/dbraw/zinc/85/55/40/450855540.db2.gz WCHVZUQJWYGSPQ-CVEARBPZSA-N 2 2 342.443 1.328 20 0 EDADLP C[C@H](C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000635496121 450991024 /nfs/dbraw/zinc/99/10/24/450991024.db2.gz IGMXINAOLDKLTK-DLBZAZTESA-N 2 2 333.476 1.686 20 0 EDADLP C[N@H+](CC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1)C1CCC1 ZINC000630017110 450956650 /nfs/dbraw/zinc/95/66/50/450956650.db2.gz QYNNZFWVWLPMGL-MOPGFXCFSA-N 2 2 343.471 1.583 20 0 EDADLP C[N@@H+](CC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1)C1CCC1 ZINC000630017110 450956653 /nfs/dbraw/zinc/95/66/53/450956653.db2.gz QYNNZFWVWLPMGL-MOPGFXCFSA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000630017110 450956654 /nfs/dbraw/zinc/95/66/54/450956654.db2.gz QYNNZFWVWLPMGL-MOPGFXCFSA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C1CCC1 ZINC000630017110 450956655 /nfs/dbraw/zinc/95/66/55/450956655.db2.gz QYNNZFWVWLPMGL-MOPGFXCFSA-N 2 2 343.471 1.583 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+](C[C@H]3CCCO3)CC1)CC2 ZINC000624765164 450985701 /nfs/dbraw/zinc/98/57/01/450985701.db2.gz PCEONGVUMQDZKM-IAGOWNOFSA-N 2 2 346.475 1.467 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+](C[C@H]3CCCO3)CC1)CC2 ZINC000624765164 450985703 /nfs/dbraw/zinc/98/57/03/450985703.db2.gz PCEONGVUMQDZKM-IAGOWNOFSA-N 2 2 346.475 1.467 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000635533596 451029410 /nfs/dbraw/zinc/02/94/10/451029410.db2.gz WHFFJOJCCPBFHJ-RBUKOAKNSA-N 2 2 345.487 1.219 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000635533596 451029417 /nfs/dbraw/zinc/02/94/17/451029417.db2.gz WHFFJOJCCPBFHJ-RBUKOAKNSA-N 2 2 345.487 1.219 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[C@@H]1C(F)(F)F ZINC000627015852 451080910 /nfs/dbraw/zinc/08/09/10/451080910.db2.gz AYIIGNYXOHZXCR-WOPDTQHZSA-N 2 2 345.369 1.367 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635551751 451047859 /nfs/dbraw/zinc/04/78/59/451047859.db2.gz OFFOHMYRTPOSIO-RTBURBONSA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635551751 451047862 /nfs/dbraw/zinc/04/78/62/451047862.db2.gz OFFOHMYRTPOSIO-RTBURBONSA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000635551751 451047863 /nfs/dbraw/zinc/04/78/63/451047863.db2.gz OFFOHMYRTPOSIO-RTBURBONSA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000635551751 451047865 /nfs/dbraw/zinc/04/78/65/451047865.db2.gz OFFOHMYRTPOSIO-RTBURBONSA-N 3 2 348.535 1.630 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[C@H](C)O1 ZINC000632118214 451048063 /nfs/dbraw/zinc/04/80/63/451048063.db2.gz JVZJEIPLDIUBGI-GBGWRMMESA-N 2 2 335.492 1.569 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[C@H](C)O1 ZINC000632118214 451048067 /nfs/dbraw/zinc/04/80/67/451048067.db2.gz JVZJEIPLDIUBGI-GBGWRMMESA-N 2 2 335.492 1.569 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@H](C)CO1 ZINC000628061418 451112584 /nfs/dbraw/zinc/11/25/84/451112584.db2.gz IKDFHNAKFGAOTJ-ZAWLATJESA-N 2 2 345.487 1.557 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@H](C)CO1 ZINC000628061418 451112590 /nfs/dbraw/zinc/11/25/90/451112590.db2.gz IKDFHNAKFGAOTJ-ZAWLATJESA-N 2 2 345.487 1.557 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@H](C)CO1 ZINC000628061418 451112597 /nfs/dbraw/zinc/11/25/97/451112597.db2.gz IKDFHNAKFGAOTJ-ZAWLATJESA-N 2 2 345.487 1.557 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@H](C)CO1 ZINC000628061418 451112602 /nfs/dbraw/zinc/11/26/02/451112602.db2.gz IKDFHNAKFGAOTJ-ZAWLATJESA-N 2 2 345.487 1.557 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627179639 451168424 /nfs/dbraw/zinc/16/84/24/451168424.db2.gz YMGUDFCRVRVHQV-GXTWGEPZSA-N 2 2 334.468 1.760 20 0 EDADLP Cc1nc(C)c(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)o1 ZINC000628202719 451178964 /nfs/dbraw/zinc/17/89/64/451178964.db2.gz FDUUWRQMTMZYIK-UHFFFAOYSA-N 2 2 342.443 1.969 20 0 EDADLP C[C@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)n1cccn1 ZINC000634194021 451229548 /nfs/dbraw/zinc/22/95/48/451229548.db2.gz ILAOISPYDDZWLS-CQSZACIVSA-N 2 2 328.420 1.620 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627216009 451192211 /nfs/dbraw/zinc/19/22/11/451192211.db2.gz MTTLEDBQCWNXJP-AWEZNQCLSA-N 2 2 340.493 1.502 20 0 EDADLP C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)[C@H]1C[N@H+](C)CCO1 ZINC000635712741 451192181 /nfs/dbraw/zinc/19/21/81/451192181.db2.gz SOBOULDJUNFQGW-BLLLJJGKSA-N 2 2 330.388 1.027 20 0 EDADLP C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)[C@H]1C[N@@H+](C)CCO1 ZINC000635712741 451192185 /nfs/dbraw/zinc/19/21/85/451192185.db2.gz SOBOULDJUNFQGW-BLLLJJGKSA-N 2 2 330.388 1.027 20 0 EDADLP CCc1c[nH]c(CC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)[nH+]1 ZINC000635720416 451197526 /nfs/dbraw/zinc/19/75/26/451197526.db2.gz SUNLGVDQMKFYSL-OAHLLOKOSA-N 2 2 342.447 1.689 20 0 EDADLP Cc1n[nH]c(=O)c(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1C ZINC000634194262 451230889 /nfs/dbraw/zinc/23/08/89/451230889.db2.gz JHCAQCOTERHLNO-UHFFFAOYSA-N 2 2 342.403 1.198 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3ncccc3F)c2)CC1 ZINC000634193201 451228341 /nfs/dbraw/zinc/22/83/41/451228341.db2.gz GJHVXYOUHPUFKD-UHFFFAOYSA-N 2 2 329.379 1.549 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[NH+]1CCSCC1 ZINC000628545414 451285917 /nfs/dbraw/zinc/28/59/17/451285917.db2.gz LXGAICDNGOBLIQ-GOEBONIOSA-N 2 2 325.522 1.947 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+]1CCSCC1 ZINC000628545414 451285922 /nfs/dbraw/zinc/28/59/22/451285922.db2.gz LXGAICDNGOBLIQ-GOEBONIOSA-N 2 2 325.522 1.947 20 0 EDADLP C[NH+](C)CCN1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630572661 451253970 /nfs/dbraw/zinc/25/39/70/451253970.db2.gz MDQRIHLWVWEDKK-UHFFFAOYSA-N 2 2 327.432 1.396 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000638110276 451278815 /nfs/dbraw/zinc/27/88/15/451278815.db2.gz CPULQSUAGOUQNH-LPHOPBHVSA-N 2 2 342.443 1.657 20 0 EDADLP COCCc1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000638119831 451288918 /nfs/dbraw/zinc/28/89/18/451288918.db2.gz WBVOFJGYAZEVEW-AWEZNQCLSA-N 2 2 325.478 1.486 20 0 EDADLP COCCc1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000638119831 451288922 /nfs/dbraw/zinc/28/89/22/451288922.db2.gz WBVOFJGYAZEVEW-AWEZNQCLSA-N 2 2 325.478 1.486 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636547548 451289147 /nfs/dbraw/zinc/28/91/47/451289147.db2.gz KCEPROGTMHYGOA-AWEZNQCLSA-N 2 2 335.452 1.139 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636547548 451289150 /nfs/dbraw/zinc/28/91/50/451289150.db2.gz KCEPROGTMHYGOA-AWEZNQCLSA-N 2 2 335.452 1.139 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cn1 ZINC000630642416 451294001 /nfs/dbraw/zinc/29/40/01/451294001.db2.gz ZAGQXJBRDUGEOQ-UHFFFAOYSA-N 2 2 346.822 1.676 20 0 EDADLP CC[NH2+][C@H](C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000638140056 451314585 /nfs/dbraw/zinc/31/45/85/451314585.db2.gz SZRXOZFMXQWIIO-CQSZACIVSA-N 2 2 338.883 1.576 20 0 EDADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H]1CCOC1 ZINC000638149847 451322562 /nfs/dbraw/zinc/32/25/62/451322562.db2.gz QKJICYULWDFHPQ-GOSISDBHSA-N 2 2 334.460 1.866 20 0 EDADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H]1CCOC1 ZINC000638149847 451322565 /nfs/dbraw/zinc/32/25/65/451322565.db2.gz QKJICYULWDFHPQ-GOSISDBHSA-N 2 2 334.460 1.866 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)[nH+]1 ZINC000638215153 451359059 /nfs/dbraw/zinc/35/90/59/451359059.db2.gz MFYYDRPPYGECET-OAHLLOKOSA-N 2 2 328.416 1.696 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)n1cc[nH+]c1 ZINC000638260117 451385167 /nfs/dbraw/zinc/38/51/67/451385167.db2.gz ODHRDPJIPCQYCO-IKGGRYGDSA-N 2 2 334.464 1.825 20 0 EDADLP Cc1cc(NCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000628826020 451434645 /nfs/dbraw/zinc/43/46/45/451434645.db2.gz JRROQWJIMBVVFQ-GASCZTMLSA-N 2 2 333.480 2.309 20 0 EDADLP Cc1cc(NCCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000628826020 451434651 /nfs/dbraw/zinc/43/46/51/451434651.db2.gz JRROQWJIMBVVFQ-GASCZTMLSA-N 2 2 333.480 2.309 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000634661371 451458326 /nfs/dbraw/zinc/45/83/26/451458326.db2.gz QAIPSVDRKKFSLU-CQSZACIVSA-N 2 2 334.445 1.238 20 0 EDADLP CO[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCOC1 ZINC000638385793 451479848 /nfs/dbraw/zinc/47/98/48/451479848.db2.gz HPFKVGOGKUXKQV-RTBURBONSA-N 2 2 334.460 1.660 20 0 EDADLP C[C@H](C[C@@H]1CCCC(=O)N1)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000638397765 451487783 /nfs/dbraw/zinc/48/77/83/451487783.db2.gz HGCJAJSRAYDZEY-CABCVRRESA-N 2 2 331.464 1.693 20 0 EDADLP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631039592 451547654 /nfs/dbraw/zinc/54/76/54/451547654.db2.gz JLMPCFYNICKIDD-QGZVFWFLSA-N 2 2 344.459 1.772 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636784900 451506243 /nfs/dbraw/zinc/50/62/43/451506243.db2.gz ANIYWJMWRFARIW-IAGOWNOFSA-N 2 2 339.443 1.772 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1nc2ccccc2o1 ZINC000638482459 451536079 /nfs/dbraw/zinc/53/60/79/451536079.db2.gz RWLRFEHJURZDOS-OAHLLOKOSA-N 2 2 330.432 1.860 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1nc2ccccc2o1 ZINC000638482459 451536085 /nfs/dbraw/zinc/53/60/85/451536085.db2.gz RWLRFEHJURZDOS-OAHLLOKOSA-N 2 2 330.432 1.860 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000638493561 451543917 /nfs/dbraw/zinc/54/39/17/451543917.db2.gz XJXRRSZCTCVOTP-MRXNPFEDSA-N 2 2 333.480 1.089 20 0 EDADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000632774207 451572338 /nfs/dbraw/zinc/57/23/38/451572338.db2.gz GLSMTOKXQBPBEX-GOSISDBHSA-N 2 2 328.416 1.605 20 0 EDADLP CO[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000638599941 451598097 /nfs/dbraw/zinc/59/80/97/451598097.db2.gz VERVNSKYGRCWCQ-UXHICEINSA-N 2 2 347.503 1.240 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638601664 451599004 /nfs/dbraw/zinc/59/90/04/451599004.db2.gz PEROCHYXMOYHRR-INIZCTEOSA-N 3 2 339.528 1.314 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638601664 451599007 /nfs/dbraw/zinc/59/90/07/451599007.db2.gz PEROCHYXMOYHRR-INIZCTEOSA-N 3 2 339.528 1.314 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638611898 451605633 /nfs/dbraw/zinc/60/56/33/451605633.db2.gz KEGLEEYURORDKH-CYBMUJFWSA-N 2 2 326.448 1.617 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717124 451664024 /nfs/dbraw/zinc/66/40/24/451664024.db2.gz FTUZJONYIJVQAU-CJNGLKHVSA-N 2 2 326.448 1.302 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717124 451664028 /nfs/dbraw/zinc/66/40/28/451664028.db2.gz FTUZJONYIJVQAU-CJNGLKHVSA-N 2 2 326.448 1.302 20 0 EDADLP CC[C@H](Nc1nc(C)[nH+]c(N)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000631165531 451620880 /nfs/dbraw/zinc/62/08/80/451620880.db2.gz NBFPHIDEQMQDTH-JKSUJKDBSA-N 2 2 342.447 1.854 20 0 EDADLP CC[C@H](Nc1nc(C)[nH+]c(N)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000631165531 451620884 /nfs/dbraw/zinc/62/08/84/451620884.db2.gz NBFPHIDEQMQDTH-JKSUJKDBSA-N 2 2 342.447 1.854 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000636939152 451622188 /nfs/dbraw/zinc/62/21/88/451622188.db2.gz AINPSXUQNVIWCA-CABCVRRESA-N 2 2 335.452 1.319 20 0 EDADLP Cn1ncc(Br)c1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000635015400 451649966 /nfs/dbraw/zinc/64/99/66/451649966.db2.gz ASYHWPWFTUHORA-STQMWFEESA-N 2 2 329.242 1.039 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@@H]1c1ccccc1 ZINC000636985749 451662335 /nfs/dbraw/zinc/66/23/35/451662335.db2.gz UNHWIMCZJWWPAO-XIRDDKMYSA-N 2 2 325.416 1.552 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@@H]1c1ccccc1 ZINC000636985749 451662337 /nfs/dbraw/zinc/66/23/37/451662337.db2.gz UNHWIMCZJWWPAO-XIRDDKMYSA-N 2 2 325.416 1.552 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](C)O1 ZINC000632978446 451675384 /nfs/dbraw/zinc/67/53/84/451675384.db2.gz GEDJUSLBTXLHHR-KEYYUXOJSA-N 2 2 338.496 1.410 20 0 EDADLP CN(C(=O)c1nnc(C2CC2)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631366268 451713202 /nfs/dbraw/zinc/71/32/02/451713202.db2.gz XVNGGSBDSZEBOL-AWEZNQCLSA-N 2 2 333.436 1.188 20 0 EDADLP CN(C(=O)c1nnc(C2CC2)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631366268 451713208 /nfs/dbraw/zinc/71/32/08/451713208.db2.gz XVNGGSBDSZEBOL-AWEZNQCLSA-N 2 2 333.436 1.188 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637107790 451725763 /nfs/dbraw/zinc/72/57/63/451725763.db2.gz REGMSQYZSPVBQA-IAGOWNOFSA-N 2 2 339.443 1.629 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637107790 451725768 /nfs/dbraw/zinc/72/57/68/451725768.db2.gz REGMSQYZSPVBQA-IAGOWNOFSA-N 2 2 339.443 1.629 20 0 EDADLP Cn1nc(C(C)(C)C)cc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988153 451747909 /nfs/dbraw/zinc/74/79/09/451747909.db2.gz TZPFBPGSXVBVSV-UHFFFAOYSA-N 2 2 342.447 1.775 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990501 451749184 /nfs/dbraw/zinc/74/91/84/451749184.db2.gz LQJQXHAAVFHVSK-NSHDSACASA-N 2 2 330.404 1.234 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990637 451749235 /nfs/dbraw/zinc/74/92/35/451749235.db2.gz MTHHQGLCVKGGSC-CABCVRRESA-N 2 2 334.489 1.639 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc(CCC[NH3+])nn3)c2cc1C ZINC000641213305 451783344 /nfs/dbraw/zinc/78/33/44/451783344.db2.gz DCWLXOCCUSKDSB-OAHLLOKOSA-N 2 2 328.420 1.197 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000641263560 451798119 /nfs/dbraw/zinc/79/81/19/451798119.db2.gz NXYXILMWBFWUGW-UHFFFAOYSA-N 2 2 348.472 1.421 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000641263560 451798121 /nfs/dbraw/zinc/79/81/21/451798121.db2.gz NXYXILMWBFWUGW-UHFFFAOYSA-N 2 2 348.472 1.421 20 0 EDADLP C[C@H](O)C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000639301574 451816425 /nfs/dbraw/zinc/81/64/25/451816425.db2.gz HJTZQSIIGYLEMZ-INIZCTEOSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@H](O)C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000639301574 451816429 /nfs/dbraw/zinc/81/64/29/451816429.db2.gz HJTZQSIIGYLEMZ-INIZCTEOSA-N 2 2 334.460 1.743 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000639326956 451828441 /nfs/dbraw/zinc/82/84/41/451828441.db2.gz JVHXRLODILLVMF-QZTJIDSGSA-N 2 2 330.476 1.061 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000639326956 451828445 /nfs/dbraw/zinc/82/84/45/451828445.db2.gz JVHXRLODILLVMF-QZTJIDSGSA-N 2 2 330.476 1.061 20 0 EDADLP CO[C@@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(F)(F)F ZINC000651443720 451830885 /nfs/dbraw/zinc/83/08/85/451830885.db2.gz YLOHLHLCSYMCFM-LBPRGKRZSA-N 2 2 325.375 1.096 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H]2COCC[NH+]2C)CC1 ZINC000637444490 451860793 /nfs/dbraw/zinc/86/07/93/451860793.db2.gz ABZNOMSUDPKGKK-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2COCC[NH+]2C)CC1 ZINC000637444490 451860797 /nfs/dbraw/zinc/86/07/97/451860797.db2.gz ABZNOMSUDPKGKK-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637444490 451860803 /nfs/dbraw/zinc/86/08/03/451860803.db2.gz ABZNOMSUDPKGKK-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637444490 451860804 /nfs/dbraw/zinc/86/08/04/451860804.db2.gz ABZNOMSUDPKGKK-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP CCOc1ccc(OC[C@@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000644562398 451863750 /nfs/dbraw/zinc/86/37/50/451863750.db2.gz OGVYQAMOOBBUOC-HNNXBMFYSA-N 2 2 348.447 1.414 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637511499 451917073 /nfs/dbraw/zinc/91/70/73/451917073.db2.gz UYACLDYNCSTUCU-WBVHZDCISA-N 2 2 338.496 1.221 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637511499 451917077 /nfs/dbraw/zinc/91/70/77/451917077.db2.gz UYACLDYNCSTUCU-WBVHZDCISA-N 2 2 338.496 1.221 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000646920647 451938531 /nfs/dbraw/zinc/93/85/31/451938531.db2.gz SVHOGJIGCZNJMG-ROUUACIJSA-N 2 2 329.444 1.295 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000646920647 451938535 /nfs/dbraw/zinc/93/85/35/451938535.db2.gz SVHOGJIGCZNJMG-ROUUACIJSA-N 2 2 329.444 1.295 20 0 EDADLP COC[C@]1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000649279353 451951424 /nfs/dbraw/zinc/95/14/24/451951424.db2.gz IRXGJCUSVDKZAF-SFHVURJKSA-N 2 2 333.432 1.226 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1ccc(F)cc1 ZINC000649282267 451953718 /nfs/dbraw/zinc/95/37/18/451953718.db2.gz PXAWCIPFFMKIRC-ZFWWWQNUSA-N 2 2 332.379 1.001 20 0 EDADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]1([NH3+])CCN(C)C1 ZINC000649288579 451961708 /nfs/dbraw/zinc/96/17/08/451961708.db2.gz ZKJZMKMAMSSEPN-OXJNMPFZSA-N 2 2 344.503 1.710 20 0 EDADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1([NH3+])CCN(C)C1 ZINC000649288579 451961714 /nfs/dbraw/zinc/96/17/14/451961714.db2.gz ZKJZMKMAMSSEPN-OXJNMPFZSA-N 2 2 344.503 1.710 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000649289190 451964912 /nfs/dbraw/zinc/96/49/12/451964912.db2.gz AKWHIHIPSUCDKB-IPQWEPCOSA-N 2 2 330.432 1.062 20 0 EDADLP C[C@@H]1C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC000639622306 451979931 /nfs/dbraw/zinc/97/99/31/451979931.db2.gz ZVRMTXDHKFVTQG-YZGWKJHDSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC000639622306 451979937 /nfs/dbraw/zinc/97/99/37/451979937.db2.gz ZVRMTXDHKFVTQG-YZGWKJHDSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC000639622306 451979945 /nfs/dbraw/zinc/97/99/45/451979945.db2.gz ZVRMTXDHKFVTQG-YZGWKJHDSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC000639622306 451979951 /nfs/dbraw/zinc/97/99/51/451979951.db2.gz ZVRMTXDHKFVTQG-YZGWKJHDSA-N 2 2 346.471 1.503 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])[NH+]2CCOCC2)cc1 ZINC000649303269 451980097 /nfs/dbraw/zinc/98/00/97/451980097.db2.gz OHTYJWKMQIKKSJ-OTWHNJEPSA-N 2 2 345.487 1.860 20 0 EDADLP c1cc2c(c(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)c1)CCC2 ZINC000651710645 452028084 /nfs/dbraw/zinc/02/80/84/452028084.db2.gz JFHVGKGQNZFBIS-LJQANCHMSA-N 2 2 329.488 1.671 20 0 EDADLP CN(Cc1nnn(C(C)(C)C)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653593900 452030518 /nfs/dbraw/zinc/03/05/18/452030518.db2.gz VLMPYYQLALQNSY-HNNXBMFYSA-N 2 2 335.500 1.028 20 0 EDADLP CN(Cc1nnn(C(C)(C)C)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653593900 452030524 /nfs/dbraw/zinc/03/05/24/452030524.db2.gz VLMPYYQLALQNSY-HNNXBMFYSA-N 2 2 335.500 1.028 20 0 EDADLP CCc1cc(CCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)on1 ZINC000649393405 452063450 /nfs/dbraw/zinc/06/34/50/452063450.db2.gz HZOQNRWFIUOSLA-QGZVFWFLSA-N 2 2 334.464 1.584 20 0 EDADLP CCc1cc(CCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)on1 ZINC000649393405 452063454 /nfs/dbraw/zinc/06/34/54/452063454.db2.gz HZOQNRWFIUOSLA-QGZVFWFLSA-N 2 2 334.464 1.584 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000649415338 452077468 /nfs/dbraw/zinc/07/74/68/452077468.db2.gz VUHPHULMGGWWRZ-PMPSAXMXSA-N 2 2 331.464 1.380 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000649415338 452077472 /nfs/dbraw/zinc/07/74/72/452077472.db2.gz VUHPHULMGGWWRZ-PMPSAXMXSA-N 2 2 331.464 1.380 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761002 452099484 /nfs/dbraw/zinc/09/94/84/452099484.db2.gz DOXOIUYUTYCATB-QFBILLFUSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761002 452099490 /nfs/dbraw/zinc/09/94/90/452099490.db2.gz DOXOIUYUTYCATB-QFBILLFUSA-N 2 2 333.476 1.388 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639762478 452101733 /nfs/dbraw/zinc/10/17/33/452101733.db2.gz LKLZRZGSWAKPSY-JTDSTZFVSA-N 2 2 333.476 1.641 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639762478 452101740 /nfs/dbraw/zinc/10/17/40/452101740.db2.gz LKLZRZGSWAKPSY-JTDSTZFVSA-N 2 2 333.476 1.641 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639763329 452104045 /nfs/dbraw/zinc/10/40/45/452104045.db2.gz CHXAISAIJQFLJH-HKUYNNGSSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639763329 452104050 /nfs/dbraw/zinc/10/40/50/452104050.db2.gz CHXAISAIJQFLJH-HKUYNNGSSA-N 2 2 336.476 1.432 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2c2cn[nH]c2)C1 ZINC000639780866 452125108 /nfs/dbraw/zinc/12/51/08/452125108.db2.gz NBRTZDAYCTZZKG-SJORKVTESA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2c2cn[nH]c2)C1 ZINC000639780866 452125115 /nfs/dbraw/zinc/12/51/15/452125115.db2.gz NBRTZDAYCTZZKG-SJORKVTESA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2cn[nH]c2)C1 ZINC000639780866 452125120 /nfs/dbraw/zinc/12/51/20/452125120.db2.gz NBRTZDAYCTZZKG-SJORKVTESA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]2c2cn[nH]c2)C1 ZINC000639780866 452125126 /nfs/dbraw/zinc/12/51/26/452125126.db2.gz NBRTZDAYCTZZKG-SJORKVTESA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)Oc1cc[nH+]c(CN2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000649552124 452141278 /nfs/dbraw/zinc/14/12/78/452141278.db2.gz XUPWGJSMLRVRJW-UHFFFAOYSA-N 2 2 334.464 1.465 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000649589923 452156582 /nfs/dbraw/zinc/15/65/82/452156582.db2.gz GQPCGUMJDVBSJP-YOEHRIQHSA-N 2 2 346.454 1.607 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000649589923 452156592 /nfs/dbraw/zinc/15/65/92/452156592.db2.gz GQPCGUMJDVBSJP-YOEHRIQHSA-N 2 2 346.454 1.607 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](C)OC3(CCCCC3)C2)CC1 ZINC000653907967 452171407 /nfs/dbraw/zinc/17/14/07/452171407.db2.gz CWWQLBKIJNORRN-DLBZAZTESA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](C)OC3(CCCCC3)C2)CC1 ZINC000653907967 452171412 /nfs/dbraw/zinc/17/14/12/452171412.db2.gz CWWQLBKIJNORRN-DLBZAZTESA-N 2 2 337.508 1.963 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000649625029 452172709 /nfs/dbraw/zinc/17/27/09/452172709.db2.gz RLFBCDSENPENBI-PMACEKPBSA-N 2 2 344.455 1.682 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000649625029 452172713 /nfs/dbraw/zinc/17/27/13/452172713.db2.gz RLFBCDSENPENBI-PMACEKPBSA-N 2 2 344.455 1.682 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(F)c3cccnc23)CC1=O ZINC000649688024 452198313 /nfs/dbraw/zinc/19/83/13/452198313.db2.gz OOKFRGOOBGMSGI-UHFFFAOYSA-N 2 2 330.407 1.580 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(F)c3cccnc23)CC1=O ZINC000649688024 452198320 /nfs/dbraw/zinc/19/83/20/452198320.db2.gz OOKFRGOOBGMSGI-UHFFFAOYSA-N 2 2 330.407 1.580 20 0 EDADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cc1cnccn1 ZINC000637977183 452222027 /nfs/dbraw/zinc/22/20/27/452222027.db2.gz GTGNYWPQJHGJAJ-UHFFFAOYSA-N 2 2 342.443 1.820 20 0 EDADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)Cc1cnccn1 ZINC000637977183 452222033 /nfs/dbraw/zinc/22/20/33/452222033.db2.gz GTGNYWPQJHGJAJ-UHFFFAOYSA-N 2 2 342.443 1.820 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)no1 ZINC000641746847 452234384 /nfs/dbraw/zinc/23/43/84/452234384.db2.gz CLKBHOKVSPLTSM-QGZVFWFLSA-N 2 2 331.416 1.677 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)no1 ZINC000641746847 452234390 /nfs/dbraw/zinc/23/43/90/452234390.db2.gz CLKBHOKVSPLTSM-QGZVFWFLSA-N 2 2 331.416 1.677 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)c2)CC1 ZINC000655449934 452245544 /nfs/dbraw/zinc/24/55/44/452245544.db2.gz WGFACRQTDNBTPE-ICSRJNTNSA-N 2 2 342.487 1.762 20 0 EDADLP c1ccc(C[NH+]2CCC(Nc3nc[nH+]c4c3OCCN4)CC2)nc1 ZINC000665692837 452248110 /nfs/dbraw/zinc/24/81/10/452248110.db2.gz PEBJAJVRHSMRSY-UHFFFAOYSA-N 2 2 326.404 1.752 20 0 EDADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655460109 452252058 /nfs/dbraw/zinc/25/20/58/452252058.db2.gz VNYAXZBBNNGJIQ-GDBMZVCRSA-N 2 2 340.427 1.627 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCCO1 ZINC000641783970 452254796 /nfs/dbraw/zinc/25/47/96/452254796.db2.gz BMKNFDAQPPCHCN-OKZBNKHCSA-N 2 2 325.497 1.330 20 0 EDADLP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)C2 ZINC000641785597 452257747 /nfs/dbraw/zinc/25/77/47/452257747.db2.gz CLSPHODSBDVVRA-LEWJYISDSA-N 2 2 343.515 1.930 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccn(C)n1 ZINC000641785074 452257969 /nfs/dbraw/zinc/25/79/69/452257969.db2.gz HLNAJVZCLJNVPR-SJORKVTESA-N 2 2 335.496 1.257 20 0 EDADLP CCOc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000641789688 452266429 /nfs/dbraw/zinc/26/64/29/452266429.db2.gz QRTSHLYVWKWDOF-LJQANCHMSA-N 2 2 347.503 1.972 20 0 EDADLP COCc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC000641788631 452267635 /nfs/dbraw/zinc/26/76/35/452267635.db2.gz SKPYFJVDZQFFNG-INIZCTEOSA-N 2 2 337.464 1.312 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000641789323 452267947 /nfs/dbraw/zinc/26/79/47/452267947.db2.gz BHHOLCYJCZEHCM-HNNXBMFYSA-N 2 2 338.521 1.592 20 0 EDADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000663557930 452269597 /nfs/dbraw/zinc/26/95/97/452269597.db2.gz ZRCQNERKAUJVKL-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000663557930 452269606 /nfs/dbraw/zinc/26/96/06/452269606.db2.gz ZRCQNERKAUJVKL-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CC1(C)[C@H]([NH2+]Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@@H]1[NH3+] ZINC000641801487 452277750 /nfs/dbraw/zinc/27/77/50/452277750.db2.gz RCWUDUZAKSOMGB-LSDHHAIUSA-N 2 2 349.456 1.961 20 0 EDADLP CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](O)C(C)C ZINC000665717569 452280766 /nfs/dbraw/zinc/28/07/66/452280766.db2.gz IAVHDTJXQWGPOM-XIRDDKMYSA-N 2 2 340.512 1.250 20 0 EDADLP CC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](O)C(C)C ZINC000665717569 452280776 /nfs/dbraw/zinc/28/07/76/452280776.db2.gz IAVHDTJXQWGPOM-XIRDDKMYSA-N 2 2 340.512 1.250 20 0 EDADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000643542423 452302634 /nfs/dbraw/zinc/30/26/34/452302634.db2.gz PDTQNYICBCMQKW-LSDHHAIUSA-N 2 2 326.462 1.125 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657531370 452316983 /nfs/dbraw/zinc/31/69/83/452316983.db2.gz KOJSRRCKVSXLDA-KRWDZBQOSA-N 2 2 345.443 1.548 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C)C[NH2+]CCO3)n2)C1 ZINC000638050515 452320934 /nfs/dbraw/zinc/32/09/34/452320934.db2.gz OXQUOOXADFMRJY-LRDDRELGSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C)C[NH2+]CCO3)n2)C1 ZINC000638050515 452320936 /nfs/dbraw/zinc/32/09/36/452320936.db2.gz OXQUOOXADFMRJY-LRDDRELGSA-N 2 2 338.477 1.692 20 0 EDADLP [NH3+]CC1(CCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000652139318 452333460 /nfs/dbraw/zinc/33/34/60/452333460.db2.gz HRMIEPDXOCACIC-UHFFFAOYSA-N 2 2 331.395 1.940 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638053578 452335010 /nfs/dbraw/zinc/33/50/10/452335010.db2.gz JPCQTPRVPBZRBP-ROUUACIJSA-N 2 2 329.444 1.532 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638053576 452335101 /nfs/dbraw/zinc/33/51/01/452335101.db2.gz JPCQTPRVPBZRBP-MSOLQXFVSA-N 2 2 329.444 1.532 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652151040 452344856 /nfs/dbraw/zinc/34/48/56/452344856.db2.gz HHJRVJYXIZAQQS-KBPBESRZSA-N 2 2 326.437 1.676 20 0 EDADLP C[C@]1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[NH2+]CCO1 ZINC000638061230 452354589 /nfs/dbraw/zinc/35/45/89/452354589.db2.gz BZVLAHNTJFHMKI-GOSISDBHSA-N 2 2 332.448 1.457 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCCC[NH2+]1 ZINC000638061560 452356149 /nfs/dbraw/zinc/35/61/49/452356149.db2.gz IJPMXOXNEPHDQF-LJQANCHMSA-N 2 2 346.475 1.847 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCC[C@@H](C)C1 ZINC000663628358 452367311 /nfs/dbraw/zinc/36/73/11/452367311.db2.gz MJRXNNLRKGUFNG-SJORKVTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCC[C@@H](C)C1 ZINC000663628358 452367319 /nfs/dbraw/zinc/36/73/19/452367319.db2.gz MJRXNNLRKGUFNG-SJORKVTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000663628358 452367324 /nfs/dbraw/zinc/36/73/24/452367324.db2.gz MJRXNNLRKGUFNG-SJORKVTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000663628358 452367330 /nfs/dbraw/zinc/36/73/30/452367330.db2.gz MJRXNNLRKGUFNG-SJORKVTESA-N 3 2 341.544 1.290 20 0 EDADLP COC[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638067237 452369714 /nfs/dbraw/zinc/36/97/14/452369714.db2.gz ANAWECMZUQNXMV-GOSISDBHSA-N 2 2 334.460 1.866 20 0 EDADLP COC[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638067237 452369723 /nfs/dbraw/zinc/36/97/23/452369723.db2.gz ANAWECMZUQNXMV-GOSISDBHSA-N 2 2 334.460 1.866 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638067111 452370321 /nfs/dbraw/zinc/37/03/21/452370321.db2.gz AESWJPVDENRBMU-KRWDZBQOSA-N 2 2 341.459 1.223 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638067111 452370331 /nfs/dbraw/zinc/37/03/31/452370331.db2.gz AESWJPVDENRBMU-KRWDZBQOSA-N 2 2 341.459 1.223 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657606291 452385999 /nfs/dbraw/zinc/38/59/99/452385999.db2.gz SLYVYRJCCAEQJT-JKSUJKDBSA-N 2 2 330.494 1.185 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659537677 452397211 /nfs/dbraw/zinc/39/72/11/452397211.db2.gz MNCLXDCUVQVIOW-SJLPKXTDSA-N 2 2 347.507 1.100 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659537677 452397222 /nfs/dbraw/zinc/39/72/22/452397222.db2.gz MNCLXDCUVQVIOW-SJLPKXTDSA-N 2 2 347.507 1.100 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000663666691 452405873 /nfs/dbraw/zinc/40/58/73/452405873.db2.gz XZMLNCQURHABIV-INIZCTEOSA-N 2 2 334.464 1.173 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000663666691 452405882 /nfs/dbraw/zinc/40/58/82/452405882.db2.gz XZMLNCQURHABIV-INIZCTEOSA-N 2 2 334.464 1.173 20 0 EDADLP O=C(NCCC[C@@H]1CCC[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659552666 452409676 /nfs/dbraw/zinc/40/96/76/452409676.db2.gz QNVUWTVGZFESIY-KRWDZBQOSA-N 2 2 338.496 1.272 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)c2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000659562551 452418093 /nfs/dbraw/zinc/41/80/93/452418093.db2.gz IVWLVPDYOXBMML-ZDUSSCGKSA-N 2 2 330.354 1.202 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(F)(F)c2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000659562551 452418100 /nfs/dbraw/zinc/41/81/00/452418100.db2.gz IVWLVPDYOXBMML-ZDUSSCGKSA-N 2 2 330.354 1.202 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000654370376 452420029 /nfs/dbraw/zinc/42/00/29/452420029.db2.gz JZHXFIAKOFDJGT-FZNQNYSPSA-N 2 2 347.463 1.058 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@@H](C)[C@H](O)[C@@H](C)C3)c2cc1C ZINC000661633676 452451720 /nfs/dbraw/zinc/45/17/20/452451720.db2.gz YYFQCTDUOVHLMO-CYJAXWMASA-N 2 2 331.460 1.963 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@@H](C)[C@H](O)[C@@H](C)C3)c2cc1C ZINC000661633676 452451731 /nfs/dbraw/zinc/45/17/31/452451731.db2.gz YYFQCTDUOVHLMO-CYJAXWMASA-N 2 2 331.460 1.963 20 0 EDADLP C[C@@H](COc1c(F)cccc1F)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659597682 452453548 /nfs/dbraw/zinc/45/35/48/452453548.db2.gz YHXVOJVHRPETEG-NWDGAFQWSA-N 2 2 342.390 1.016 20 0 EDADLP C[C@@H](COc1c(F)cccc1F)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659597682 452453556 /nfs/dbraw/zinc/45/35/56/452453556.db2.gz YHXVOJVHRPETEG-NWDGAFQWSA-N 2 2 342.390 1.016 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)CC[NH+]3CCCCC3)ccc2[nH+]1 ZINC000652291066 452475152 /nfs/dbraw/zinc/47/51/52/452475152.db2.gz DASJJICSXVYRSF-UHFFFAOYSA-N 2 2 343.431 1.526 20 0 EDADLP O=C(NCC12CC(C1)C[NH2+]2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000659620106 452476894 /nfs/dbraw/zinc/47/68/94/452476894.db2.gz HDGGVQHNLCFXPH-UHFFFAOYSA-N 2 2 344.459 1.145 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661669387 452478251 /nfs/dbraw/zinc/47/82/51/452478251.db2.gz QAKWLTJVQMZNEK-GBESFXJTSA-N 2 2 336.476 1.024 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661669387 452478260 /nfs/dbraw/zinc/47/82/60/452478260.db2.gz QAKWLTJVQMZNEK-GBESFXJTSA-N 2 2 336.476 1.024 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661669387 452478265 /nfs/dbraw/zinc/47/82/65/452478265.db2.gz QAKWLTJVQMZNEK-GBESFXJTSA-N 2 2 336.476 1.024 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661669387 452478272 /nfs/dbraw/zinc/47/82/72/452478272.db2.gz QAKWLTJVQMZNEK-GBESFXJTSA-N 2 2 336.476 1.024 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)C1 ZINC000663747877 452478495 /nfs/dbraw/zinc/47/84/95/452478495.db2.gz LGSHVEQICDSBGZ-NSHDSACASA-N 2 2 340.435 1.891 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000659633441 452497530 /nfs/dbraw/zinc/49/75/30/452497530.db2.gz COVVIKKQDWSQQK-CVEARBPZSA-N 2 2 348.491 1.909 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000659633441 452497539 /nfs/dbraw/zinc/49/75/39/452497539.db2.gz COVVIKKQDWSQQK-CVEARBPZSA-N 2 2 348.491 1.909 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663771237 452498372 /nfs/dbraw/zinc/49/83/72/452498372.db2.gz YTLXNQQFUHIRQZ-UHFFFAOYSA-N 2 2 349.479 1.417 20 0 EDADLP c1c(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]c2n1CCCC2 ZINC000655687988 452510605 /nfs/dbraw/zinc/51/06/05/452510605.db2.gz FMSBUVKGFLZQFP-SFHVURJKSA-N 3 2 332.492 1.995 20 0 EDADLP c1cnc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)nc1 ZINC000655695067 452514523 /nfs/dbraw/zinc/51/45/23/452514523.db2.gz PVMAMXLAOCFYEP-DLBZAZTESA-N 2 2 331.464 1.288 20 0 EDADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)[C@H]1CC[NH3+] ZINC000652353989 452531158 /nfs/dbraw/zinc/53/11/58/452531158.db2.gz JVQXAWMZOUZUKG-YOEHRIQHSA-N 2 2 346.475 1.776 20 0 EDADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)[C@H]1CC[NH3+] ZINC000652353989 452531166 /nfs/dbraw/zinc/53/11/66/452531166.db2.gz JVQXAWMZOUZUKG-YOEHRIQHSA-N 2 2 346.475 1.776 20 0 EDADLP C[C@@H]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000655713665 452531454 /nfs/dbraw/zinc/53/14/54/452531454.db2.gz RRFVABQOEMHUCQ-CVEARBPZSA-N 2 2 348.516 1.994 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1C[NH3+] ZINC000652357204 452535397 /nfs/dbraw/zinc/53/53/97/452535397.db2.gz AXROFZBENYEMIY-ZHALLVOQSA-N 2 2 331.460 1.550 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C[C@H]1C[NH3+] ZINC000652357204 452535409 /nfs/dbraw/zinc/53/54/09/452535409.db2.gz AXROFZBENYEMIY-ZHALLVOQSA-N 2 2 331.460 1.550 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCOc2cccc(C)c2)C[C@H]1C[NH3+] ZINC000652357567 452537208 /nfs/dbraw/zinc/53/72/08/452537208.db2.gz XWCKWXRFTNIKOH-JFIYKMOQSA-N 2 2 349.475 1.174 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NCCOc2cccc(C)c2)C[C@H]1C[NH3+] ZINC000652357567 452537215 /nfs/dbraw/zinc/53/72/15/452537215.db2.gz XWCKWXRFTNIKOH-JFIYKMOQSA-N 2 2 349.475 1.174 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NCc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000652358351 452540163 /nfs/dbraw/zinc/54/01/63/452540163.db2.gz YTMQGFHWEWIRQN-UKRRQHHQSA-N 2 2 325.840 1.252 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NCc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000652358351 452540169 /nfs/dbraw/zinc/54/01/69/452540169.db2.gz YTMQGFHWEWIRQN-UKRRQHHQSA-N 2 2 325.840 1.252 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NC[C@H]1Cc2ccccc2O1 ZINC000647815094 452546195 /nfs/dbraw/zinc/54/61/95/452546195.db2.gz OTZTVRRSTQYEJG-QGZVFWFLSA-N 2 2 329.444 1.323 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NC[C@H]1Cc2ccccc2O1 ZINC000647815094 452546207 /nfs/dbraw/zinc/54/62/07/452546207.db2.gz OTZTVRRSTQYEJG-QGZVFWFLSA-N 2 2 329.444 1.323 20 0 EDADLP COc1cc(-c2noc(C[N@H+](C)CCC[NH3+])n2)cc(OC)c1OC ZINC000647847131 452580008 /nfs/dbraw/zinc/58/00/08/452580008.db2.gz AISXJMJGXPYJQL-UHFFFAOYSA-N 2 2 336.392 1.543 20 0 EDADLP COc1cc(-c2noc(C[N@@H+](C)CCC[NH3+])n2)cc(OC)c1OC ZINC000647847131 452580014 /nfs/dbraw/zinc/58/00/14/452580014.db2.gz AISXJMJGXPYJQL-UHFFFAOYSA-N 2 2 336.392 1.543 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654506151 452580623 /nfs/dbraw/zinc/58/06/23/452580623.db2.gz PCXQGPAHOLRCKE-BRWVUGGUSA-N 2 2 343.475 1.976 20 0 EDADLP O=C1Nc2ccccc2CC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655791317 452582773 /nfs/dbraw/zinc/58/27/73/452582773.db2.gz MAVJFOXSWWNUNC-SJLPKXTDSA-N 2 2 329.444 1.783 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C)[C@H]3C)cc2[nH+]1 ZINC000657874646 452584767 /nfs/dbraw/zinc/58/47/67/452584767.db2.gz WSXOGGQSFCXYPM-QWHCGFSZSA-N 2 2 329.404 1.132 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C)[C@H]3C)cc2[nH+]1 ZINC000657874646 452584771 /nfs/dbraw/zinc/58/47/71/452584771.db2.gz WSXOGGQSFCXYPM-QWHCGFSZSA-N 2 2 329.404 1.132 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655830609 452601681 /nfs/dbraw/zinc/60/16/81/452601681.db2.gz YZJCWAIUCRGRDS-HLLBOEOZSA-N 2 2 340.475 1.568 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655830609 452601685 /nfs/dbraw/zinc/60/16/85/452601685.db2.gz YZJCWAIUCRGRDS-HLLBOEOZSA-N 2 2 340.475 1.568 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000663888618 452613262 /nfs/dbraw/zinc/61/32/62/452613262.db2.gz XCLXVHQGCVBVNY-KFWWJZLASA-N 2 2 337.468 1.236 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000663888618 452613272 /nfs/dbraw/zinc/61/32/72/452613272.db2.gz XCLXVHQGCVBVNY-KFWWJZLASA-N 2 2 337.468 1.236 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCOc1ccc(F)cc1 ZINC000647900575 452640936 /nfs/dbraw/zinc/64/09/36/452640936.db2.gz DDCZHNZAPHHPEZ-YJBOKZPZSA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCOc1ccc(F)cc1 ZINC000647900575 452640940 /nfs/dbraw/zinc/64/09/40/452640940.db2.gz DDCZHNZAPHHPEZ-YJBOKZPZSA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCOc1ccc(F)cc1 ZINC000647900572 452641073 /nfs/dbraw/zinc/64/10/73/452641073.db2.gz DDCZHNZAPHHPEZ-MAUKXSAKSA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCOc1ccc(F)cc1 ZINC000647900572 452641084 /nfs/dbraw/zinc/64/10/84/452641084.db2.gz DDCZHNZAPHHPEZ-MAUKXSAKSA-N 2 2 349.450 1.785 20 0 EDADLP CCC(C)(C)CC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000647916362 452653568 /nfs/dbraw/zinc/65/35/68/452653568.db2.gz IGXJKWUUJFUXPW-OAHLLOKOSA-N 2 2 336.480 1.074 20 0 EDADLP CCC(C)(C)CC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000647916362 452653575 /nfs/dbraw/zinc/65/35/75/452653575.db2.gz IGXJKWUUJFUXPW-OAHLLOKOSA-N 2 2 336.480 1.074 20 0 EDADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000657991468 452665214 /nfs/dbraw/zinc/66/52/14/452665214.db2.gz VZZXUYWRYVUVNN-FUHWJXTLSA-N 2 2 329.448 1.547 20 0 EDADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000657991468 452665224 /nfs/dbraw/zinc/66/52/24/452665224.db2.gz VZZXUYWRYVUVNN-FUHWJXTLSA-N 2 2 329.448 1.547 20 0 EDADLP CCN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000663959182 452671894 /nfs/dbraw/zinc/67/18/94/452671894.db2.gz IQIULRDTQVZAGM-NSHDSACASA-N 2 2 333.358 1.681 20 0 EDADLP CCN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000663959182 452671900 /nfs/dbraw/zinc/67/19/00/452671900.db2.gz IQIULRDTQVZAGM-NSHDSACASA-N 2 2 333.358 1.681 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917853 452679628 /nfs/dbraw/zinc/67/96/28/452679628.db2.gz YAYUWHFCNUCKJX-YPMHNXCESA-N 2 2 345.369 1.359 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000659845311 452730253 /nfs/dbraw/zinc/73/02/53/452730253.db2.gz UKCVHMLCGXRECY-WMZOPIPTSA-N 2 2 339.524 1.658 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000659845311 452730258 /nfs/dbraw/zinc/73/02/58/452730258.db2.gz UKCVHMLCGXRECY-WMZOPIPTSA-N 2 2 339.524 1.658 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000658120075 452734840 /nfs/dbraw/zinc/73/48/40/452734840.db2.gz GJBSQFOQESYJQO-ZDUSSCGKSA-N 2 2 343.431 1.509 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000658120075 452734843 /nfs/dbraw/zinc/73/48/43/452734843.db2.gz GJBSQFOQESYJQO-ZDUSSCGKSA-N 2 2 343.431 1.509 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccnn3-c3ccccn3)CC2)C1 ZINC000648008193 452749094 /nfs/dbraw/zinc/74/90/94/452749094.db2.gz YGQNUSJJIAUNET-KRWDZBQOSA-N 2 2 340.475 1.479 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccnn3-c3ccccn3)CC2)C1 ZINC000648008193 452749099 /nfs/dbraw/zinc/74/90/99/452749099.db2.gz YGQNUSJJIAUNET-KRWDZBQOSA-N 2 2 340.475 1.479 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000659882492 452757001 /nfs/dbraw/zinc/75/70/01/452757001.db2.gz HMWLBZMCZFNURK-HNNXBMFYSA-N 2 2 334.445 1.628 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000659882492 452757006 /nfs/dbraw/zinc/75/70/06/452757006.db2.gz HMWLBZMCZFNURK-HNNXBMFYSA-N 2 2 334.445 1.628 20 0 EDADLP COc1cc2cc[nH+]c(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2cc1OC ZINC000664066838 452761256 /nfs/dbraw/zinc/76/12/56/452761256.db2.gz DNZDGMPNOQAQBX-CQSZACIVSA-N 2 2 329.400 1.507 20 0 EDADLP COc1cc2cc[nH+]c(N3CC([N@H+]4CC[C@@H](O)C4)C3)c2cc1OC ZINC000664066838 452761265 /nfs/dbraw/zinc/76/12/65/452761265.db2.gz DNZDGMPNOQAQBX-CQSZACIVSA-N 2 2 329.400 1.507 20 0 EDADLP Cc1[nH+]cc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)n1-c1ccccc1 ZINC000648064705 452791756 /nfs/dbraw/zinc/79/17/56/452791756.db2.gz JALWPEJIWIMESS-HNNXBMFYSA-N 2 2 341.459 1.733 20 0 EDADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000658234018 452797851 /nfs/dbraw/zinc/79/78/51/452797851.db2.gz MVOZDXUTDKXYJJ-QXAKKESOSA-N 2 2 332.492 1.974 20 0 EDADLP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294359 452835050 /nfs/dbraw/zinc/83/50/50/452835050.db2.gz HENWAGKAKGFLCR-QZTJIDSGSA-N 2 2 326.481 1.661 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000658295396 452836067 /nfs/dbraw/zinc/83/60/67/452836067.db2.gz SBVJVXOLGVIBAV-RDTXWAMCSA-N 2 2 342.447 1.566 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)NCC1CC[NH+](CC2CC2)CC1 ZINC000662150597 452885877 /nfs/dbraw/zinc/88/58/77/452885877.db2.gz XZGJPSNRXBRJOL-UHFFFAOYSA-N 2 2 331.464 1.915 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)C1 ZINC000662156098 452893912 /nfs/dbraw/zinc/89/39/12/452893912.db2.gz KHBXPCAFKOQNJT-CYBMUJFWSA-N 2 2 332.370 1.476 20 0 EDADLP O[C@@H]1CC[N@H+](C2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)C1 ZINC000662156098 452893921 /nfs/dbraw/zinc/89/39/21/452893921.db2.gz KHBXPCAFKOQNJT-CYBMUJFWSA-N 2 2 332.370 1.476 20 0 EDADLP C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000666482959 452899788 /nfs/dbraw/zinc/89/97/88/452899788.db2.gz SPZZLQLKVPKXBP-LPHOPBHVSA-N 2 2 334.460 1.743 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000650705524 452942745 /nfs/dbraw/zinc/94/27/45/452942745.db2.gz KJNRYGSWZLMMLM-UHFFFAOYSA-N 3 2 335.492 1.827 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000645968930 452954222 /nfs/dbraw/zinc/95/42/22/452954222.db2.gz JBDWIBLOAWXFFT-SZMVWBNQSA-N 2 2 331.460 1.044 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000645977680 452964766 /nfs/dbraw/zinc/96/47/66/452964766.db2.gz IJPICGHRYPSJCJ-WMLDXEAASA-N 3 2 330.476 1.605 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000645977680 452964775 /nfs/dbraw/zinc/96/47/75/452964775.db2.gz IJPICGHRYPSJCJ-WMLDXEAASA-N 3 2 330.476 1.605 20 0 EDADLP Cc1ccccc1C1([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000645978349 452966665 /nfs/dbraw/zinc/96/66/65/452966665.db2.gz GFKWXMHNXGCCDS-UHFFFAOYSA-N 2 2 345.487 1.801 20 0 EDADLP O=C(NC1CCCCC1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662251491 452978802 /nfs/dbraw/zinc/97/88/02/452978802.db2.gz FPTIORGSNGQEHL-MRXNPFEDSA-N 2 2 336.480 1.167 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662261208 452991809 /nfs/dbraw/zinc/99/18/09/452991809.db2.gz UTKZFAJSJZVEDG-IBGZPJMESA-N 2 2 345.487 1.724 20 0 EDADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1cc(Cl)ccc1Cl ZINC000662286253 453012006 /nfs/dbraw/zinc/01/20/06/453012006.db2.gz PAVAQPLSDVLSOJ-UHFFFAOYSA-N 2 2 332.231 1.636 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662291778 453014921 /nfs/dbraw/zinc/01/49/21/453014921.db2.gz KGDDAYZBJNXXJP-FUHWJXTLSA-N 3 2 336.524 1.251 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662298343 453021753 /nfs/dbraw/zinc/02/17/53/453021753.db2.gz XUFKMKQRFFPXNN-ZIAGYGMSSA-N 2 2 335.448 1.342 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662298343 453021761 /nfs/dbraw/zinc/02/17/61/453021761.db2.gz XUFKMKQRFFPXNN-ZIAGYGMSSA-N 2 2 335.448 1.342 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319901 453034906 /nfs/dbraw/zinc/03/49/06/453034906.db2.gz QCSLNBHEHNIAMN-HKUYNNGSSA-N 2 2 347.503 1.776 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319901 453034912 /nfs/dbraw/zinc/03/49/12/453034912.db2.gz QCSLNBHEHNIAMN-HKUYNNGSSA-N 2 2 347.503 1.776 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)nc12 ZINC000662320727 453038765 /nfs/dbraw/zinc/03/87/65/453038765.db2.gz ITFHDLJHTQEKBJ-QGZVFWFLSA-N 2 2 344.459 1.546 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)nc12 ZINC000662320727 453038770 /nfs/dbraw/zinc/03/87/70/453038770.db2.gz ITFHDLJHTQEKBJ-QGZVFWFLSA-N 2 2 344.459 1.546 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103635 453105592 /nfs/dbraw/zinc/10/55/92/453105592.db2.gz ZHXGLNBNIHFHHM-INIZCTEOSA-N 2 2 331.460 1.835 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103635 453105596 /nfs/dbraw/zinc/10/55/96/453105596.db2.gz ZHXGLNBNIHFHHM-INIZCTEOSA-N 2 2 331.460 1.835 20 0 EDADLP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103637 453105849 /nfs/dbraw/zinc/10/58/49/453105849.db2.gz ZHXGLNBNIHFHHM-MRXNPFEDSA-N 2 2 331.460 1.835 20 0 EDADLP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103637 453105857 /nfs/dbraw/zinc/10/58/57/453105857.db2.gz ZHXGLNBNIHFHHM-MRXNPFEDSA-N 2 2 331.460 1.835 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103644 453106326 /nfs/dbraw/zinc/10/63/26/453106326.db2.gz KZXSOJRJWQHQOY-QGZVFWFLSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103644 453106336 /nfs/dbraw/zinc/10/63/36/453106336.db2.gz KZXSOJRJWQHQOY-QGZVFWFLSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)C1CC[NH+]([C@H]3CCSC3)CC1)CC2 ZINC000654993662 453111182 /nfs/dbraw/zinc/11/11/82/453111182.db2.gz YJNFYMBIHSHEQY-HNNXBMFYSA-N 2 2 334.489 1.751 20 0 EDADLP COc1ccccc1C(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000656399112 453168684 /nfs/dbraw/zinc/16/86/84/453168684.db2.gz QCYGPPWYNIOSEV-UHFFFAOYSA-N 2 2 328.416 1.429 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000653058453 453235610 /nfs/dbraw/zinc/23/56/10/453235610.db2.gz UQFMEKFLUULYOA-HNNXBMFYSA-N 2 2 332.473 1.748 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cn21 ZINC000646234972 453247314 /nfs/dbraw/zinc/24/73/14/453247314.db2.gz XDVNSSKOTNBFRW-GDBMZVCRSA-N 2 2 327.432 1.579 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000653075602 453254910 /nfs/dbraw/zinc/25/49/10/453254910.db2.gz UGECIKSHJYOJRO-CYBMUJFWSA-N 2 2 340.265 1.833 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662539352 453264728 /nfs/dbraw/zinc/26/47/28/453264728.db2.gz ASXAPABPBXOWTA-AWEZNQCLSA-N 2 2 344.463 1.798 20 0 EDADLP C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)C1=CC[N@H+](C)CC1 ZINC000664631710 453269051 /nfs/dbraw/zinc/26/90/51/453269051.db2.gz ZUSZSJFQZYKQSG-DZGCQCFKSA-N 2 2 349.479 1.429 20 0 EDADLP C[C@H](NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)C1=CC[N@@H+](C)CC1 ZINC000664631710 453269064 /nfs/dbraw/zinc/26/90/64/453269064.db2.gz ZUSZSJFQZYKQSG-DZGCQCFKSA-N 2 2 349.479 1.429 20 0 EDADLP CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653104383 453286607 /nfs/dbraw/zinc/28/66/07/453286607.db2.gz GOWBJTOQSVQLLR-ZDUSSCGKSA-N 2 2 333.354 1.823 20 0 EDADLP CCN1C[C@@H](CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)Oc2ccccc21 ZINC000653106669 453289999 /nfs/dbraw/zinc/28/99/99/453289999.db2.gz HZGHSFDRVKBLMB-HUUCEWRRSA-N 2 2 334.464 1.011 20 0 EDADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653108442 453291278 /nfs/dbraw/zinc/29/12/78/453291278.db2.gz XTDALNNAAROOEM-SFHVURJKSA-N 3 2 332.492 1.355 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112874 453299423 /nfs/dbraw/zinc/29/94/23/453299423.db2.gz LWMSFYBADFFOFV-ROUUACIJSA-N 2 2 329.444 1.988 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC[C@H](C3CC[NH2+]CC3)C2)[nH+]1 ZINC000656609676 453317084 /nfs/dbraw/zinc/31/70/84/453317084.db2.gz WGNKINCQISUAEK-INIZCTEOSA-N 2 2 331.464 1.529 20 0 EDADLP c1nc(N2CCC[C@H](C3CC[NH2+]CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000656609676 453317093 /nfs/dbraw/zinc/31/70/93/453317093.db2.gz WGNKINCQISUAEK-INIZCTEOSA-N 2 2 331.464 1.529 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000653149153 453335310 /nfs/dbraw/zinc/33/53/10/453335310.db2.gz YGGOUIPYKGWZNV-IBGZPJMESA-N 2 2 340.471 1.932 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCNc1cccc(Br)c1 ZINC000653155969 453347105 /nfs/dbraw/zinc/34/71/05/453347105.db2.gz NBFPJYZZQKBIEZ-ZDUSSCGKSA-N 2 2 343.269 1.256 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660498466 453352589 /nfs/dbraw/zinc/35/25/89/453352589.db2.gz QSODQYNGWBWGJK-HOCLYGCPSA-N 2 2 342.505 1.832 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660498466 453352596 /nfs/dbraw/zinc/35/25/96/453352596.db2.gz QSODQYNGWBWGJK-HOCLYGCPSA-N 2 2 342.505 1.832 20 0 EDADLP CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000653159624 453352795 /nfs/dbraw/zinc/35/27/95/453352795.db2.gz IPTPJXDPDNHKNK-RDJZCZTQSA-N 2 2 348.491 1.921 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000655241835 453360041 /nfs/dbraw/zinc/36/00/41/453360041.db2.gz SEFLBQURYFKAFI-NYTXWWLZSA-N 2 2 334.464 1.368 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000655241835 453360047 /nfs/dbraw/zinc/36/00/47/453360047.db2.gz SEFLBQURYFKAFI-NYTXWWLZSA-N 2 2 334.464 1.368 20 0 EDADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000662663427 453377896 /nfs/dbraw/zinc/37/78/96/453377896.db2.gz FVEYJEHQYUSKJC-HZPDHXFCSA-N 2 2 337.851 1.348 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648926384 453402684 /nfs/dbraw/zinc/40/26/84/453402684.db2.gz MLSKKMAPHFHAGK-LSDHHAIUSA-N 2 2 332.448 1.134 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648926384 453402691 /nfs/dbraw/zinc/40/26/91/453402691.db2.gz MLSKKMAPHFHAGK-LSDHHAIUSA-N 2 2 332.448 1.134 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)[NH+]2CCOCC2)cc1 ZINC000662692803 453411407 /nfs/dbraw/zinc/41/14/07/453411407.db2.gz YQHBCJIPVGMFEH-ROUUACIJSA-N 2 2 345.487 1.873 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CCO1 ZINC000662700014 453420217 /nfs/dbraw/zinc/42/02/17/453420217.db2.gz FTXRGSAQPMZPAL-AWEZNQCLSA-N 2 2 327.375 1.192 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CCO1 ZINC000662700014 453420221 /nfs/dbraw/zinc/42/02/21/453420221.db2.gz FTXRGSAQPMZPAL-AWEZNQCLSA-N 2 2 327.375 1.192 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660612612 453453187 /nfs/dbraw/zinc/45/31/87/453453187.db2.gz USHQOMUDDDSLDD-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660612612 453453189 /nfs/dbraw/zinc/45/31/89/453453189.db2.gz USHQOMUDDDSLDD-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP Cc1cccn2cc(CCNC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)[nH+]c12 ZINC000662738402 453463419 /nfs/dbraw/zinc/46/34/19/453463419.db2.gz WCKSBXOPYUUPDE-OAHLLOKOSA-N 2 2 340.349 1.843 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000664925850 453487141 /nfs/dbraw/zinc/48/71/41/453487141.db2.gz DJGIQBZZAYJLKX-KGLIPLIRSA-N 2 2 335.452 1.019 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000664925850 453487147 /nfs/dbraw/zinc/48/71/47/453487147.db2.gz DJGIQBZZAYJLKX-KGLIPLIRSA-N 2 2 335.452 1.019 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCCOc1ccccc1)C2 ZINC000660652354 453489235 /nfs/dbraw/zinc/48/92/35/453489235.db2.gz IWXGEHRMCLSCCE-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCCOc1ccccc1)C2 ZINC000660652354 453489247 /nfs/dbraw/zinc/48/92/47/453489247.db2.gz IWXGEHRMCLSCCE-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NCCOc1ccccc1)C2 ZINC000660652354 453489262 /nfs/dbraw/zinc/48/92/62/453489262.db2.gz IWXGEHRMCLSCCE-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCCOc1ccccc1)C2 ZINC000660652354 453489267 /nfs/dbraw/zinc/48/92/67/453489267.db2.gz IWXGEHRMCLSCCE-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667255999 453517266 /nfs/dbraw/zinc/51/72/66/453517266.db2.gz BHJLTOSHFQUXEI-AWEZNQCLSA-N 2 2 325.457 1.481 20 0 EDADLP COc1cccc2c(N3CCN(CC[NH+](C)C)C(=O)C3)cc[nH+]c12 ZINC000651382997 453522836 /nfs/dbraw/zinc/52/28/36/453522836.db2.gz CXCJXJOWCXQXRF-UHFFFAOYSA-N 2 2 328.416 1.454 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000660701578 453526158 /nfs/dbraw/zinc/52/61/58/453526158.db2.gz ASHYPIOVKJGQHQ-ZNMIVQPWSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000660701578 453526161 /nfs/dbraw/zinc/52/61/61/453526161.db2.gz ASHYPIOVKJGQHQ-ZNMIVQPWSA-N 2 2 326.485 1.268 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662799462 453534845 /nfs/dbraw/zinc/53/48/45/453534845.db2.gz LJIFGAYKDBVWIG-WKILWMFISA-N 2 2 330.432 1.027 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@]3(C)CC3(F)F)C2)CC1 ZINC000660712030 453540791 /nfs/dbraw/zinc/54/07/91/453540791.db2.gz IBQXRZAVZWYTJO-IUODEOHRSA-N 2 2 330.423 1.499 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@]3(C)CC3(F)F)C2)CC1 ZINC000660712030 453540796 /nfs/dbraw/zinc/54/07/96/453540796.db2.gz IBQXRZAVZWYTJO-IUODEOHRSA-N 2 2 330.423 1.499 20 0 EDADLP CN(CC1=CCCOC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660713681 453542969 /nfs/dbraw/zinc/54/29/69/453542969.db2.gz VGNATDOZRIQPKY-INIZCTEOSA-N 2 2 336.480 1.143 20 0 EDADLP CN(CC1=CCCOC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660713681 453542974 /nfs/dbraw/zinc/54/29/74/453542974.db2.gz VGNATDOZRIQPKY-INIZCTEOSA-N 2 2 336.480 1.143 20 0 EDADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000662808907 453543690 /nfs/dbraw/zinc/54/36/90/453543690.db2.gz DDACIYXZXNLBRW-GOEBONIOSA-N 2 2 337.851 1.178 20 0 EDADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000662808907 453543693 /nfs/dbraw/zinc/54/36/93/453543693.db2.gz DDACIYXZXNLBRW-GOEBONIOSA-N 2 2 337.851 1.178 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c2[nH+]ccn21 ZINC000665048062 453553050 /nfs/dbraw/zinc/55/30/50/453553050.db2.gz RBGWPVCAIYDHBW-SNPRPXQTSA-N 2 2 333.436 1.130 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c2[nH+]ccn21 ZINC000665048062 453553051 /nfs/dbraw/zinc/55/30/51/453553051.db2.gz RBGWPVCAIYDHBW-SNPRPXQTSA-N 2 2 333.436 1.130 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000667325904 453556631 /nfs/dbraw/zinc/55/66/31/453556631.db2.gz HSKAPGGJURWUKF-ZWKOTPCHSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000667325904 453556644 /nfs/dbraw/zinc/55/66/44/453556644.db2.gz HSKAPGGJURWUKF-ZWKOTPCHSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667325904 453556648 /nfs/dbraw/zinc/55/66/48/453556648.db2.gz HSKAPGGJURWUKF-ZWKOTPCHSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000667325904 453556651 /nfs/dbraw/zinc/55/66/51/453556651.db2.gz HSKAPGGJURWUKF-ZWKOTPCHSA-N 2 2 330.476 1.997 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662849789 453571033 /nfs/dbraw/zinc/57/10/33/453571033.db2.gz MDJSENFJPGCBSU-IXDOHACOSA-N 2 2 329.444 1.096 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662849789 453571036 /nfs/dbraw/zinc/57/10/36/453571036.db2.gz MDJSENFJPGCBSU-IXDOHACOSA-N 2 2 329.444 1.096 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659022633 453585398 /nfs/dbraw/zinc/58/53/98/453585398.db2.gz NPCOZLNJIPMRSE-UHFFFAOYSA-N 2 2 344.459 1.866 20 0 EDADLP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900528 453593843 /nfs/dbraw/zinc/59/38/43/453593843.db2.gz MXNOPQAFJLBDQB-RGPMPMONSA-N 3 2 348.535 1.534 20 0 EDADLP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900528 453593845 /nfs/dbraw/zinc/59/38/45/453593845.db2.gz MXNOPQAFJLBDQB-RGPMPMONSA-N 3 2 348.535 1.534 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000662909406 453598853 /nfs/dbraw/zinc/59/88/53/453598853.db2.gz FBBVCHDSIKVEBY-GOSISDBHSA-N 2 2 331.460 1.566 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000665283950 453635702 /nfs/dbraw/zinc/63/57/02/453635702.db2.gz XPULWAHNHIYXOO-RLLQIKCJSA-N 2 2 346.519 1.159 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660949684 453658939 /nfs/dbraw/zinc/65/89/39/453658939.db2.gz GHZAQFQHEHVIFZ-HUUCEWRRSA-N 2 2 331.464 1.832 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660949684 453658944 /nfs/dbraw/zinc/65/89/44/453658944.db2.gz GHZAQFQHEHVIFZ-HUUCEWRRSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccccc1 ZINC000657071114 453661050 /nfs/dbraw/zinc/66/10/50/453661050.db2.gz FNEIPBSHGBGJEI-HNNXBMFYSA-N 2 2 327.494 1.378 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)Cc1ccccc1 ZINC000657071114 453661054 /nfs/dbraw/zinc/66/10/54/453661054.db2.gz FNEIPBSHGBGJEI-HNNXBMFYSA-N 2 2 327.494 1.378 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc2ccoc21 ZINC000657092277 453676096 /nfs/dbraw/zinc/67/60/96/453676096.db2.gz SIWCNAJOQAJDBM-UHFFFAOYSA-N 2 2 339.461 1.595 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc2ccoc21 ZINC000657092277 453676098 /nfs/dbraw/zinc/67/60/98/453676098.db2.gz SIWCNAJOQAJDBM-UHFFFAOYSA-N 2 2 339.461 1.595 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]([NH3+])COC(C)C)cc1F ZINC000659288554 453703117 /nfs/dbraw/zinc/70/31/17/453703117.db2.gz JLYTXXNYWYWZHG-HNNXBMFYSA-N 2 2 334.395 1.688 20 0 EDADLP O=C(NCCC[NH+]1CCCC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663236458 453741875 /nfs/dbraw/zinc/74/18/75/453741875.db2.gz BDIJGQLTUSRSQE-UHFFFAOYSA-N 2 2 338.496 1.226 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000665552752 453744310 /nfs/dbraw/zinc/74/43/10/453744310.db2.gz IARVZTZNANPSJY-RRFJBIMHSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000665552752 453744315 /nfs/dbraw/zinc/74/43/15/453744315.db2.gz IARVZTZNANPSJY-RRFJBIMHSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000665552752 453744321 /nfs/dbraw/zinc/74/43/21/453744321.db2.gz IARVZTZNANPSJY-RRFJBIMHSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000665552752 453744324 /nfs/dbraw/zinc/74/43/24/453744324.db2.gz IARVZTZNANPSJY-RRFJBIMHSA-N 2 2 326.485 1.268 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cc[nH+]1 ZINC000665554612 453746406 /nfs/dbraw/zinc/74/64/06/453746406.db2.gz OSQBHPIKYYKLTA-OAHLLOKOSA-N 2 2 346.479 1.489 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)CC2)cc[nH+]1 ZINC000665554612 453746413 /nfs/dbraw/zinc/74/64/13/453746413.db2.gz OSQBHPIKYYKLTA-OAHLLOKOSA-N 2 2 346.479 1.489 20 0 EDADLP c1nc2n(c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000657293260 453758542 /nfs/dbraw/zinc/75/85/42/453758542.db2.gz KQMIFUGKRIRZLK-UHFFFAOYSA-N 2 2 326.444 1.951 20 0 EDADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000657293260 453758544 /nfs/dbraw/zinc/75/85/44/453758544.db2.gz KQMIFUGKRIRZLK-UHFFFAOYSA-N 3 2 326.444 1.951 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000665619120 453769364 /nfs/dbraw/zinc/76/93/64/453769364.db2.gz NPRJEBDWRAFNMB-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000663395046 453788211 /nfs/dbraw/zinc/78/82/11/453788211.db2.gz URCUMKJJKVBFJU-OAHLLOKOSA-N 2 2 332.448 1.936 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000679886962 486662615 /nfs/dbraw/zinc/66/26/15/486662615.db2.gz LQBPJCHNMNKLGS-QGZVFWFLSA-N 2 2 339.443 1.991 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000679886962 486662617 /nfs/dbraw/zinc/66/26/17/486662617.db2.gz LQBPJCHNMNKLGS-QGZVFWFLSA-N 2 2 339.443 1.991 20 0 EDADLP C[NH+]1CCN(C(=O)CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000679937267 486676299 /nfs/dbraw/zinc/67/62/99/486676299.db2.gz DIDNOJVTGAYSGW-IBGZPJMESA-N 2 2 344.503 1.577 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000680069824 486701103 /nfs/dbraw/zinc/70/11/03/486701103.db2.gz QSAPCWQFDYECIH-MRXNPFEDSA-N 2 2 337.414 1.921 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000680069824 486701105 /nfs/dbraw/zinc/70/11/05/486701105.db2.gz QSAPCWQFDYECIH-MRXNPFEDSA-N 2 2 337.414 1.921 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000515671579 486739907 /nfs/dbraw/zinc/73/99/07/486739907.db2.gz NTEHQIAZGRAGMD-SMDDNHRTSA-N 2 2 327.436 1.399 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000515671579 486739912 /nfs/dbraw/zinc/73/99/12/486739912.db2.gz NTEHQIAZGRAGMD-SMDDNHRTSA-N 2 2 327.436 1.399 20 0 EDADLP CS(=O)(=O)NC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680327273 486752233 /nfs/dbraw/zinc/75/22/33/486752233.db2.gz YWTVGAWDUGHKIE-UHFFFAOYSA-N 2 2 340.474 1.447 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000672695617 486765776 /nfs/dbraw/zinc/76/57/76/486765776.db2.gz NHHOIQJHVLZXDC-CABCVRRESA-N 2 2 347.463 1.454 20 0 EDADLP Cc1[nH+]cc(CN2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C ZINC000667489640 486805478 /nfs/dbraw/zinc/80/54/78/486805478.db2.gz ZKLOLCPHEALQJJ-HZPDHXFCSA-N 2 2 347.507 1.351 20 0 EDADLP C[C@@H]1COCCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000676712205 486850055 /nfs/dbraw/zinc/85/00/55/486850055.db2.gz JRUKWFXQBRNQIX-MRXNPFEDSA-N 2 2 347.459 1.568 20 0 EDADLP C[C@@H]1COCCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000676712205 486850058 /nfs/dbraw/zinc/85/00/58/486850058.db2.gz JRUKWFXQBRNQIX-MRXNPFEDSA-N 2 2 347.459 1.568 20 0 EDADLP CCOc1ccnc(N2CCC[N@H+](Cc3c[nH+]c4n3CCC4)CC2)n1 ZINC000667699102 486919746 /nfs/dbraw/zinc/91/97/46/486919746.db2.gz SJUOSWIEZVRQTQ-UHFFFAOYSA-N 2 2 342.447 1.730 20 0 EDADLP CCOc1ccnc(N2CCC[N@@H+](Cc3c[nH+]c4n3CCC4)CC2)n1 ZINC000667699102 486919751 /nfs/dbraw/zinc/91/97/51/486919751.db2.gz SJUOSWIEZVRQTQ-UHFFFAOYSA-N 2 2 342.447 1.730 20 0 EDADLP [NH3+]Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000667735471 486939004 /nfs/dbraw/zinc/93/90/04/486939004.db2.gz UPIWPRPVCWJAOY-UHFFFAOYSA-N 2 2 325.416 1.890 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC[NH+]3CCC3)c[nH+]2)C[C@@H](C)O1 ZINC000677007122 486953136 /nfs/dbraw/zinc/95/31/36/486953136.db2.gz QCIXLXROORZJBZ-HUUCEWRRSA-N 2 2 347.463 1.200 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000677114533 486978353 /nfs/dbraw/zinc/97/83/53/486978353.db2.gz OIZWAIYJKJGLSX-HZPDHXFCSA-N 2 2 331.464 1.832 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000681325107 487015438 /nfs/dbraw/zinc/01/54/38/487015438.db2.gz PJMFQLBPPVCOGK-DYVFJYSZSA-N 2 2 330.432 1.570 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000681325107 487015443 /nfs/dbraw/zinc/01/54/43/487015443.db2.gz PJMFQLBPPVCOGK-DYVFJYSZSA-N 2 2 330.432 1.570 20 0 EDADLP CN(C(=O)c1ccn(C)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290810 487033766 /nfs/dbraw/zinc/03/37/66/487033766.db2.gz QNZPQCSNBNGYDW-ZWKOTPCHSA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1ccn(C)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290810 487033771 /nfs/dbraw/zinc/03/37/71/487033771.db2.gz QNZPQCSNBNGYDW-ZWKOTPCHSA-N 2 2 347.507 1.829 20 0 EDADLP Cn1cnc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000673600936 487067897 /nfs/dbraw/zinc/06/78/97/487067897.db2.gz UZMUCEXCMXEQIU-UHFFFAOYSA-N 2 2 330.432 1.421 20 0 EDADLP COc1cccc(F)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673669500 487084180 /nfs/dbraw/zinc/08/41/80/487084180.db2.gz SIFCZOMOKJCJJR-CYBMUJFWSA-N 2 2 335.423 1.733 20 0 EDADLP COc1cccc(F)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673669500 487084184 /nfs/dbraw/zinc/08/41/84/487084184.db2.gz SIFCZOMOKJCJJR-CYBMUJFWSA-N 2 2 335.423 1.733 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000673668986 487084328 /nfs/dbraw/zinc/08/43/28/487084328.db2.gz KRVJZADCIGZFIK-CQSZACIVSA-N 2 2 332.448 1.302 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000673668986 487084329 /nfs/dbraw/zinc/08/43/29/487084329.db2.gz KRVJZADCIGZFIK-CQSZACIVSA-N 2 2 332.448 1.302 20 0 EDADLP C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000673670709 487086229 /nfs/dbraw/zinc/08/62/29/487086229.db2.gz NQPFEJRQCXVPOA-INIZCTEOSA-N 2 2 345.487 1.979 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(CCO)CC(C)(C)C)CC1 ZINC000677579195 487124298 /nfs/dbraw/zinc/12/42/98/487124298.db2.gz HJNXBJPCTGIBMI-UHFFFAOYSA-N 2 2 328.501 1.062 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2[nH+]1 ZINC000668169427 487128580 /nfs/dbraw/zinc/12/85/80/487128580.db2.gz QQNSYYNCJKXLBI-MRXNPFEDSA-N 2 2 343.431 1.706 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)cc2[nH+]1 ZINC000668169427 487128582 /nfs/dbraw/zinc/12/85/82/487128582.db2.gz QQNSYYNCJKXLBI-MRXNPFEDSA-N 2 2 343.431 1.706 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)nn1 ZINC000678082674 487244213 /nfs/dbraw/zinc/24/42/13/487244213.db2.gz PKYQJUHTMQNCJB-MRXNPFEDSA-N 2 2 331.464 1.334 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)nn1 ZINC000678082674 487244214 /nfs/dbraw/zinc/24/42/14/487244214.db2.gz PKYQJUHTMQNCJB-MRXNPFEDSA-N 2 2 331.464 1.334 20 0 EDADLP COC[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000674470839 487263832 /nfs/dbraw/zinc/26/38/32/487263832.db2.gz WQFBZRULNXNMQQ-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP COC[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000674470839 487263833 /nfs/dbraw/zinc/26/38/33/487263833.db2.gz WQFBZRULNXNMQQ-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP C[NH+]1CCN([C@H](CNC(=O)CCc2c[nH+]c[nH]2)c2cccs2)CC1 ZINC000526996048 487304734 /nfs/dbraw/zinc/30/47/34/487304734.db2.gz NORZYEBWSQWFIQ-OAHLLOKOSA-N 2 2 347.488 1.509 20 0 EDADLP C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000678593213 487339938 /nfs/dbraw/zinc/33/99/38/487339938.db2.gz QSDDEVONDGHOJZ-CYBMUJFWSA-N 2 2 330.436 1.799 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000678677148 487350539 /nfs/dbraw/zinc/35/05/39/487350539.db2.gz DDZQOHDWJIEFCM-MRXNPFEDSA-N 2 2 349.394 1.576 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000678677148 487350542 /nfs/dbraw/zinc/35/05/42/487350542.db2.gz DDZQOHDWJIEFCM-MRXNPFEDSA-N 2 2 349.394 1.576 20 0 EDADLP CO[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678720745 487357274 /nfs/dbraw/zinc/35/72/74/487357274.db2.gz WUBOJIAKGSXRHC-BFYDXBDKSA-N 2 2 338.496 1.269 20 0 EDADLP CO[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678720745 487357277 /nfs/dbraw/zinc/35/72/77/487357277.db2.gz WUBOJIAKGSXRHC-BFYDXBDKSA-N 2 2 338.496 1.269 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000682512219 487379032 /nfs/dbraw/zinc/37/90/32/487379032.db2.gz JESONSYTEBJWCA-CVEARBPZSA-N 2 2 332.448 1.159 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](CO)O1 ZINC000682556954 487388306 /nfs/dbraw/zinc/38/83/06/487388306.db2.gz OFBLZVOURMNXEE-APWZRJJASA-N 2 2 334.460 1.743 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](CO)O1 ZINC000682556954 487388311 /nfs/dbraw/zinc/38/83/11/487388311.db2.gz OFBLZVOURMNXEE-APWZRJJASA-N 2 2 334.460 1.743 20 0 EDADLP C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1F ZINC000679220912 487403167 /nfs/dbraw/zinc/40/31/67/487403167.db2.gz FNOUPCACBRMUMR-HOTGVXAUSA-N 2 2 334.439 1.800 20 0 EDADLP C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1F ZINC000679220912 487403169 /nfs/dbraw/zinc/40/31/69/487403169.db2.gz FNOUPCACBRMUMR-HOTGVXAUSA-N 2 2 334.439 1.800 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)[nH+]c12 ZINC000679378184 487419597 /nfs/dbraw/zinc/41/95/97/487419597.db2.gz FWVANCKTUNUFMV-RDJZCZTQSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)[nH+]c12 ZINC000679378184 487419599 /nfs/dbraw/zinc/41/95/99/487419599.db2.gz FWVANCKTUNUFMV-RDJZCZTQSA-N 2 2 341.459 1.921 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679490915 487431256 /nfs/dbraw/zinc/43/12/56/487431256.db2.gz WUZVFUSZLNTMDE-UHFFFAOYSA-N 2 2 349.479 1.454 20 0 EDADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000679510575 487434407 /nfs/dbraw/zinc/43/44/07/487434407.db2.gz CBHQDHXNHISFEE-UHFFFAOYSA-N 2 2 347.338 1.492 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000675742972 487440744 /nfs/dbraw/zinc/44/07/44/487440744.db2.gz YGWKZCPUXVRLFC-UHFFFAOYSA-N 3 2 345.535 1.662 20 0 EDADLP CC[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CCOC1 ZINC000683042004 487444975 /nfs/dbraw/zinc/44/49/75/487444975.db2.gz PRNLWGAXEWRIKP-FQEVSTJZSA-N 2 2 345.487 1.798 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000675855356 487452761 /nfs/dbraw/zinc/45/27/61/487452761.db2.gz YLOKUNRJLWBIMG-CPUCHLNUSA-N 2 2 328.460 1.437 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000675855356 487452762 /nfs/dbraw/zinc/45/27/62/487452762.db2.gz YLOKUNRJLWBIMG-CPUCHLNUSA-N 2 2 328.460 1.437 20 0 EDADLP C[C@H](CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)n1cc[nH+]c1 ZINC000584355390 485556505 /nfs/dbraw/zinc/55/65/05/485556505.db2.gz VJMQKZWGAMZTHW-QGZVFWFLSA-N 2 2 347.507 1.710 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000669028460 485576231 /nfs/dbraw/zinc/57/62/31/485576231.db2.gz YVRYEUOIAOEZNL-MFKMUULPSA-N 2 2 337.811 1.245 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[C@@H]1[NH3+] ZINC000669153498 485743898 /nfs/dbraw/zinc/74/38/98/485743898.db2.gz FHXHJSZIDYSORL-HOTGVXAUSA-N 2 2 331.464 1.951 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000115549321 485969648 /nfs/dbraw/zinc/96/96/48/485969648.db2.gz RJJZGTWXVQNWFV-UHFFFAOYSA-N 2 2 346.427 1.777 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000115549321 485969654 /nfs/dbraw/zinc/96/96/54/485969654.db2.gz RJJZGTWXVQNWFV-UHFFFAOYSA-N 2 2 346.427 1.777 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261604112 485986266 /nfs/dbraw/zinc/98/62/66/485986266.db2.gz ATIUSMFDDAWJOH-KRWDZBQOSA-N 2 2 341.402 1.917 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261604112 485986272 /nfs/dbraw/zinc/98/62/72/485986272.db2.gz ATIUSMFDDAWJOH-KRWDZBQOSA-N 2 2 341.402 1.917 20 0 EDADLP C[NH+](C)C1(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000668667424 486017698 /nfs/dbraw/zinc/01/76/98/486017698.db2.gz XYJRTZWDNPIOJS-CQSZACIVSA-N 2 2 336.505 1.247 20 0 EDADLP Oc1ccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000237966180 486020344 /nfs/dbraw/zinc/02/03/44/486020344.db2.gz SESSPLUEYRHZBT-UHFFFAOYSA-N 2 2 327.432 1.484 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc(C2CC2)no1 ZINC000668688329 486048972 /nfs/dbraw/zinc/04/89/72/486048972.db2.gz NHHQLNPRMDPAIQ-UHFFFAOYSA-N 2 2 334.464 1.579 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc(C2CC2)no1 ZINC000668688329 486048977 /nfs/dbraw/zinc/04/89/77/486048977.db2.gz NHHQLNPRMDPAIQ-UHFFFAOYSA-N 2 2 334.464 1.579 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000668688571 486049122 /nfs/dbraw/zinc/04/91/22/486049122.db2.gz PMOQLCCPEVTOMY-HZPDHXFCSA-N 2 2 325.497 1.674 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC000668688571 486049127 /nfs/dbraw/zinc/04/91/27/486049127.db2.gz PMOQLCCPEVTOMY-HZPDHXFCSA-N 2 2 325.497 1.674 20 0 EDADLP CN(C)C(=O)c1ccccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784984 486194110 /nfs/dbraw/zinc/19/41/10/486194110.db2.gz KPBCGHAPLGIQGX-QGZVFWFLSA-N 2 2 333.476 1.931 20 0 EDADLP CN(C)C(=O)c1ccccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784984 486194116 /nfs/dbraw/zinc/19/41/16/486194116.db2.gz KPBCGHAPLGIQGX-QGZVFWFLSA-N 2 2 333.476 1.931 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000668785844 486194879 /nfs/dbraw/zinc/19/48/79/486194879.db2.gz ZCGMJCSODIGMBT-OAHLLOKOSA-N 2 2 333.432 1.560 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000668785844 486194882 /nfs/dbraw/zinc/19/48/82/486194882.db2.gz ZCGMJCSODIGMBT-OAHLLOKOSA-N 2 2 333.432 1.560 20 0 EDADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494899 486267428 /nfs/dbraw/zinc/26/74/28/486267428.db2.gz VARWMLZVPIOMGV-BQFCYCMXSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494899 486267436 /nfs/dbraw/zinc/26/74/36/486267436.db2.gz VARWMLZVPIOMGV-BQFCYCMXSA-N 2 2 346.475 1.279 20 0 EDADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)n1-c1ccccc1 ZINC000671492124 486623420 /nfs/dbraw/zinc/62/34/20/486623420.db2.gz NCUPAJDTSYWXAT-SFHVURJKSA-N 2 2 338.415 1.409 20 0 EDADLP Cc1[nH+]cc(C[N@H+]2CC[C@@](O)(Cn3ccnn3)C2)n1-c1ccccc1 ZINC000671492124 486623424 /nfs/dbraw/zinc/62/34/24/486623424.db2.gz NCUPAJDTSYWXAT-SFHVURJKSA-N 2 2 338.415 1.409 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1c1ccccc1 ZINC000517240360 486634119 /nfs/dbraw/zinc/63/41/19/486634119.db2.gz FAWXXVDGKCUIRG-YESZJQIVSA-N 2 2 337.489 1.445 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1c1ccccc1 ZINC000517240360 486634120 /nfs/dbraw/zinc/63/41/20/486634120.db2.gz FAWXXVDGKCUIRG-YESZJQIVSA-N 2 2 337.489 1.445 20 0 EDADLP COC1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOCC1 ZINC000119530211 490995878 /nfs/dbraw/zinc/99/58/78/490995878.db2.gz AHWHPXYYBCXCQJ-UHFFFAOYSA-N 2 2 340.387 1.818 20 0 EDADLP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)[NH+](C)C)CC2)cs1 ZINC000078737787 491002413 /nfs/dbraw/zinc/00/24/13/491002413.db2.gz GKZMFRWJIUHKRH-ZDUSSCGKSA-N 2 2 338.521 1.984 20 0 EDADLP Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000081480978 491178449 /nfs/dbraw/zinc/17/84/49/491178449.db2.gz AYOTZUNMDNNNOB-JKSUJKDBSA-N 2 2 328.416 1.151 20 0 EDADLP Cn1cc[nH+]c1C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000081480978 491178453 /nfs/dbraw/zinc/17/84/53/491178453.db2.gz AYOTZUNMDNNNOB-JKSUJKDBSA-N 2 2 328.416 1.151 20 0 EDADLP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352763094 535166044 /nfs/dbraw/zinc/16/60/44/535166044.db2.gz GPCACKSMVJWLJH-UHFFFAOYSA-N 3 2 326.510 1.530 20 0 EDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237026257 535427471 /nfs/dbraw/zinc/42/74/71/535427471.db2.gz LEJSZWSBEKINSP-UHFFFAOYSA-N 2 2 338.496 1.051 20 0 EDADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237026257 535427476 /nfs/dbraw/zinc/42/74/76/535427476.db2.gz LEJSZWSBEKINSP-UHFFFAOYSA-N 2 2 338.496 1.051 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271660397 535545816 /nfs/dbraw/zinc/54/58/16/535545816.db2.gz OHRFSHYMFRNIGE-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271660397 535545821 /nfs/dbraw/zinc/54/58/21/535545821.db2.gz OHRFSHYMFRNIGE-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000249375269 535849328 /nfs/dbraw/zinc/84/93/28/535849328.db2.gz YHBVKZJGOINUPN-KBAYOESNSA-N 2 2 333.476 1.905 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000249375269 535849333 /nfs/dbraw/zinc/84/93/33/535849333.db2.gz YHBVKZJGOINUPN-KBAYOESNSA-N 2 2 333.476 1.905 20 0 EDADLP CCc1cnc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)s1 ZINC000261850393 536035080 /nfs/dbraw/zinc/03/50/80/536035080.db2.gz XGOKTJHSWXOKIB-UHFFFAOYSA-N 2 2 332.477 1.780 20 0 EDADLP C[NH+]1CCC(CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000264140904 536338569 /nfs/dbraw/zinc/33/85/69/536338569.db2.gz ITVQSQYLXPVICM-UHFFFAOYSA-N 2 2 334.464 1.839 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cnn4ccccc34)cn2)CC1 ZINC000353037269 536427436 /nfs/dbraw/zinc/42/74/36/536427436.db2.gz VIIFOESERXOJAQ-UHFFFAOYSA-N 2 2 337.431 1.166 20 0 EDADLP COC1(C)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000271766835 536561473 /nfs/dbraw/zinc/56/14/73/536561473.db2.gz PVYPCFACTBRLDF-UHFFFAOYSA-N 2 2 345.487 1.832 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000112625299 536565092 /nfs/dbraw/zinc/56/50/92/536565092.db2.gz RPXFWWLOQOGHGC-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP COCCCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000112625299 536565098 /nfs/dbraw/zinc/56/50/98/536565098.db2.gz RPXFWWLOQOGHGC-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP COCCCNC(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000112625299 536565103 /nfs/dbraw/zinc/56/51/03/536565103.db2.gz RPXFWWLOQOGHGC-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP COCCCNC(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000112625299 536565109 /nfs/dbraw/zinc/56/51/09/536565109.db2.gz RPXFWWLOQOGHGC-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP CO[C@H]1CCC[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000340302659 536714137 /nfs/dbraw/zinc/71/41/37/536714137.db2.gz PLSLZFSSYOWRIU-WBVHZDCISA-N 2 2 325.497 1.676 20 0 EDADLP CO[C@H]1CCC[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000340302659 536714144 /nfs/dbraw/zinc/71/41/44/536714144.db2.gz PLSLZFSSYOWRIU-WBVHZDCISA-N 2 2 325.497 1.676 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743852421 578282630 /nfs/dbraw/zinc/28/26/30/578282630.db2.gz ZKLXNHGLAIYNTF-MRXNPFEDSA-N 2 2 332.510 1.246 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743852421 578282631 /nfs/dbraw/zinc/28/26/31/578282631.db2.gz ZKLXNHGLAIYNTF-MRXNPFEDSA-N 2 2 332.510 1.246 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726254037 578338112 /nfs/dbraw/zinc/33/81/12/578338112.db2.gz DWGXUJNYGMMFTL-QGZVFWFLSA-N 2 2 342.528 1.717 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726254037 578338114 /nfs/dbraw/zinc/33/81/14/578338114.db2.gz DWGXUJNYGMMFTL-QGZVFWFLSA-N 2 2 342.528 1.717 20 0 EDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000726256714 578339434 /nfs/dbraw/zinc/33/94/34/578339434.db2.gz MLANBFXCDSHWRN-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000726256714 578339435 /nfs/dbraw/zinc/33/94/35/578339435.db2.gz MLANBFXCDSHWRN-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000726256714 578339436 /nfs/dbraw/zinc/33/94/36/578339436.db2.gz MLANBFXCDSHWRN-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000726256714 578339437 /nfs/dbraw/zinc/33/94/37/578339437.db2.gz MLANBFXCDSHWRN-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C[C@@H](O)c2cccc(F)c2)nc[nH+]1 ZINC000729920135 578599382 /nfs/dbraw/zinc/59/93/82/578599382.db2.gz GMTCCXUNCHIYPL-JKSUJKDBSA-N 2 2 345.422 1.949 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000729980117 578605299 /nfs/dbraw/zinc/60/52/99/578605299.db2.gz LPFUEXYKDLWKGA-OAHLLOKOSA-N 2 2 329.404 1.108 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000729980117 578605300 /nfs/dbraw/zinc/60/53/00/578605300.db2.gz LPFUEXYKDLWKGA-OAHLLOKOSA-N 2 2 329.404 1.108 20 0 EDADLP O=C(CC1CCCC1)NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000731360880 578674047 /nfs/dbraw/zinc/67/40/47/578674047.db2.gz SWHZJIFYJWOCSI-GOSISDBHSA-N 2 2 337.508 1.604 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C\c3cncc(F)c3)C2)CC1 ZINC000732778883 578727710 /nfs/dbraw/zinc/72/77/10/578727710.db2.gz NLHFIFVFVHXTIV-YPQKKHBXSA-N 2 2 332.423 1.519 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C\c3cncc(F)c3)C2)CC1 ZINC000732778883 578727712 /nfs/dbraw/zinc/72/77/12/578727712.db2.gz NLHFIFVFVHXTIV-YPQKKHBXSA-N 2 2 332.423 1.519 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3COc4ccccc43)C2)CC1 ZINC000734271676 578805948 /nfs/dbraw/zinc/80/59/48/578805948.db2.gz DQIMTXZMLSVNAZ-RHSMWYFYSA-N 2 2 344.459 1.588 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3COc4ccccc43)C2)CC1 ZINC000734271676 578805949 /nfs/dbraw/zinc/80/59/49/578805949.db2.gz DQIMTXZMLSVNAZ-RHSMWYFYSA-N 2 2 344.459 1.588 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000734942756 578846412 /nfs/dbraw/zinc/84/64/12/578846412.db2.gz PPTBBZQPQHMJMM-CABCVRRESA-N 2 2 328.501 1.373 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000734942756 578846413 /nfs/dbraw/zinc/84/64/13/578846413.db2.gz PPTBBZQPQHMJMM-CABCVRRESA-N 2 2 328.501 1.373 20 0 EDADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000761069521 580046044 /nfs/dbraw/zinc/04/60/44/580046044.db2.gz GIYMFJQMBLQDJW-UHFFFAOYSA-N 2 2 345.487 1.962 20 0 EDADLP C[C@@H](CNc1[nH+]c2c(cc1-c1nn[nH]n1)CCC2)C[NH+]1CCOCC1 ZINC000736025941 578947500 /nfs/dbraw/zinc/94/75/00/578947500.db2.gz LIHCQMSBRSUOIP-LBPRGKRZSA-N 2 2 343.435 1.131 20 0 EDADLP O=C1C[C@@H](c2ccccn2)CN1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738159065 579166263 /nfs/dbraw/zinc/16/62/63/579166263.db2.gz QSRBVMJMDCVDHV-CVEARBPZSA-N 2 2 325.416 1.889 20 0 EDADLP O=C1C[C@@H](c2ccccn2)CN1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738159065 579166264 /nfs/dbraw/zinc/16/62/64/579166264.db2.gz QSRBVMJMDCVDHV-CVEARBPZSA-N 2 2 325.416 1.889 20 0 EDADLP C[NH+]1CCC([NH+]2CCC([NH2+]C[C@H]3CCCN(C(=O)[O-])C3)CC2)CC1 ZINC000739726193 579241671 /nfs/dbraw/zinc/24/16/71/579241671.db2.gz BADPTWKLCFCOIY-OAHLLOKOSA-N 2 2 338.496 1.525 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CN1CC2(CCCC2)CC1=O ZINC000746649724 579604916 /nfs/dbraw/zinc/60/49/16/579604916.db2.gz OXIANLWZOBGENA-IKGGRYGDSA-N 2 2 335.492 1.920 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CN1CC2(CCCC2)CC1=O ZINC000746649724 579604918 /nfs/dbraw/zinc/60/49/18/579604918.db2.gz OXIANLWZOBGENA-IKGGRYGDSA-N 2 2 335.492 1.920 20 0 EDADLP Cc1cccn2cc(CCNC(=S)NC3CC[NH+](C)CC3)[nH+]c12 ZINC000747657520 579652635 /nfs/dbraw/zinc/65/26/35/579652635.db2.gz GYNGXUQPHCKTBO-UHFFFAOYSA-N 2 2 331.489 1.744 20 0 EDADLP CC(=O)Nc1c(C)cccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000748746800 579699137 /nfs/dbraw/zinc/69/91/37/579699137.db2.gz NEILVRSWIBZVMR-UHFFFAOYSA-N 2 2 346.475 1.709 20 0 EDADLP C[C@@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)[NH+]1CCSCC1 ZINC000750889460 579786110 /nfs/dbraw/zinc/78/61/10/579786110.db2.gz AVQHCAHOOAELHF-LBPRGKRZSA-N 2 2 335.464 1.612 20 0 EDADLP C[C@@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)[NH+]1CCSCC1 ZINC000750889460 579786111 /nfs/dbraw/zinc/78/61/11/579786111.db2.gz AVQHCAHOOAELHF-LBPRGKRZSA-N 2 2 335.464 1.612 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000752076587 579837163 /nfs/dbraw/zinc/83/71/63/579837163.db2.gz ZGBBFOBQHOFEQT-KSZLIROESA-N 2 2 338.492 1.887 20 0 EDADLP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000752076587 579837164 /nfs/dbraw/zinc/83/71/64/579837164.db2.gz ZGBBFOBQHOFEQT-KSZLIROESA-N 2 2 338.492 1.887 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000755792774 579935397 /nfs/dbraw/zinc/93/53/97/579935397.db2.gz WTJYJRKTRFMBQY-LRDDRELGSA-N 2 2 334.445 1.049 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000755792774 579935398 /nfs/dbraw/zinc/93/53/98/579935398.db2.gz WTJYJRKTRFMBQY-LRDDRELGSA-N 2 2 334.445 1.049 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000758443462 579982707 /nfs/dbraw/zinc/98/27/07/579982707.db2.gz VQVNLLMTGGBBPI-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000758443462 579982708 /nfs/dbraw/zinc/98/27/08/579982708.db2.gz VQVNLLMTGGBBPI-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccnc(Cl)c1 ZINC000766024020 580156906 /nfs/dbraw/zinc/15/69/06/580156906.db2.gz VLISZLDQHSVUCK-GOEBONIOSA-N 2 2 338.883 1.792 20 0 EDADLP COC(=O)c1nn(C[N@H+](C)CCCn2cc[nH+]c2)c2ccccc21 ZINC000767759008 580198709 /nfs/dbraw/zinc/19/87/09/580198709.db2.gz IQULRMIHBTWYRB-UHFFFAOYSA-N 2 2 327.388 1.999 20 0 EDADLP COC(=O)c1nn(C[N@@H+](C)CCCn2cc[nH+]c2)c2ccccc21 ZINC000767759008 580198710 /nfs/dbraw/zinc/19/87/10/580198710.db2.gz IQULRMIHBTWYRB-UHFFFAOYSA-N 2 2 327.388 1.999 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000770435757 580260430 /nfs/dbraw/zinc/26/04/30/580260430.db2.gz UYUBDRPIWJNGQU-UHFFFAOYSA-N 2 2 330.432 1.907 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(c3nc(N(C)C)cc[nH+]3)CC2)CC1 ZINC000771188732 580282002 /nfs/dbraw/zinc/28/20/02/580282002.db2.gz PBRQVIBFPKYSHP-UHFFFAOYSA-N 2 2 332.496 1.537 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CN1CC(=O)N(C)C1=O ZINC000776202659 580411131 /nfs/dbraw/zinc/41/11/31/580411131.db2.gz VQWRNTYBZNAZLR-CQSZACIVSA-N 2 2 341.415 1.661 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CN1CC(=O)N(C)C1=O ZINC000776202659 580411132 /nfs/dbraw/zinc/41/11/32/580411132.db2.gz VQWRNTYBZNAZLR-CQSZACIVSA-N 2 2 341.415 1.661 20 0 EDADLP CCO[C@@H]1C[C@@H]([N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1(C)C ZINC000783993065 580610980 /nfs/dbraw/zinc/61/09/80/580610980.db2.gz KTJMZQMDTUQOST-FVQBIDKESA-N 2 2 334.464 1.829 20 0 EDADLP CCO[C@@H]1C[C@@H]([N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1(C)C ZINC000783993065 580610981 /nfs/dbraw/zinc/61/09/81/580610981.db2.gz KTJMZQMDTUQOST-FVQBIDKESA-N 2 2 334.464 1.829 20 0 EDADLP CCO[C@@H]1C[C@@H]([N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000783998120 580611440 /nfs/dbraw/zinc/61/14/40/580611440.db2.gz XVYCRNWOTVDESV-DJIMGWMZSA-N 2 2 346.475 1.973 20 0 EDADLP CCO[C@@H]1C[C@@H]([N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000783998120 580611441 /nfs/dbraw/zinc/61/14/41/580611441.db2.gz XVYCRNWOTVDESV-DJIMGWMZSA-N 2 2 346.475 1.973 20 0 EDADLP CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000793147183 580836705 /nfs/dbraw/zinc/83/67/05/580836705.db2.gz LZHSTXMWCKDIDL-UHFFFAOYSA-N 2 2 345.399 1.766 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[NH+]1CCCCC1 ZINC000793701350 580852376 /nfs/dbraw/zinc/85/23/76/580852376.db2.gz PQIGDOGJSSLIFT-HUUCEWRRSA-N 2 2 347.463 1.106 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000794417585 580891612 /nfs/dbraw/zinc/89/16/12/580891612.db2.gz QWSHJRDXKIHYSG-KGLIPLIRSA-N 2 2 338.452 1.865 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000794417585 580891613 /nfs/dbraw/zinc/89/16/13/580891613.db2.gz QWSHJRDXKIHYSG-KGLIPLIRSA-N 2 2 338.452 1.865 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000795707532 580934893 /nfs/dbraw/zinc/93/48/93/580934893.db2.gz ODFXDOARKGOPTJ-OWCLPIDISA-N 2 2 331.464 1.252 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000799014023 581013916 /nfs/dbraw/zinc/01/39/16/581013916.db2.gz BUYICPZEBFTOTO-LJQANCHMSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014023 581013917 /nfs/dbraw/zinc/01/39/17/581013917.db2.gz BUYICPZEBFTOTO-LJQANCHMSA-N 2 2 326.444 1.991 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C(F)(F)F ZINC000891904919 590680358 /nfs/dbraw/zinc/68/03/58/590680358.db2.gz DDAWVCZPWUHBOS-BBBLOLIVSA-N 2 2 331.342 1.046 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C(F)(F)F ZINC000891904919 590680361 /nfs/dbraw/zinc/68/03/61/590680361.db2.gz DDAWVCZPWUHBOS-BBBLOLIVSA-N 2 2 331.342 1.046 20 0 EDADLP C[NH+]1CCC(CNC(=O)NC/C=C/Cl)([NH+]2CCCCC2)CC1 ZINC000893266597 590744349 /nfs/dbraw/zinc/74/43/49/590744349.db2.gz HRMZFMWJSNBDRB-VMPITWQZSA-N 2 2 328.888 1.988 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C3CC3)C2)cc1 ZINC000892027978 590757124 /nfs/dbraw/zinc/75/71/24/590757124.db2.gz OTDCOMQULCLXDR-ZWKOTPCHSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C3CC3)C2)cc1 ZINC000892027978 590757126 /nfs/dbraw/zinc/75/71/26/590757126.db2.gz OTDCOMQULCLXDR-ZWKOTPCHSA-N 2 2 346.475 1.232 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892078353 590787395 /nfs/dbraw/zinc/78/73/95/590787395.db2.gz OEYPJSVQXCTZOY-DZGCQCFKSA-N 2 2 349.504 1.432 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000892099567 590799069 /nfs/dbraw/zinc/79/90/69/590799069.db2.gz RVJSATITNIEXMJ-SJLPKXTDSA-N 2 2 348.491 1.493 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000892099567 590799073 /nfs/dbraw/zinc/79/90/73/590799073.db2.gz RVJSATITNIEXMJ-SJLPKXTDSA-N 2 2 348.491 1.493 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC/C=C/C[NH3+])C2)cc1 ZINC000892120552 590810115 /nfs/dbraw/zinc/81/01/15/590810115.db2.gz BAZXPWKPEROWQU-YATRRXNKSA-N 2 2 332.448 1.010 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC/C=C/C[NH3+])C2)cc1 ZINC000892120552 590810119 /nfs/dbraw/zinc/81/01/19/590810119.db2.gz BAZXPWKPEROWQU-YATRRXNKSA-N 2 2 332.448 1.010 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000890881340 590829152 /nfs/dbraw/zinc/82/91/52/590829152.db2.gz ZOEIITKFRRWIPN-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000890881340 590829156 /nfs/dbraw/zinc/82/91/56/590829156.db2.gz ZOEIITKFRRWIPN-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)nc(C(C)C)[nH+]1 ZINC000892282142 590912006 /nfs/dbraw/zinc/91/20/06/590912006.db2.gz LBOSZKVASOAADX-HUUCEWRRSA-N 2 2 346.479 1.856 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000892331106 590956880 /nfs/dbraw/zinc/95/68/80/590956880.db2.gz SGABTIJZMNZKTE-HZPDHXFCSA-N 2 2 329.448 1.670 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000892331106 590956882 /nfs/dbraw/zinc/95/68/82/590956882.db2.gz SGABTIJZMNZKTE-HZPDHXFCSA-N 2 2 329.448 1.670 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000892396509 591009657 /nfs/dbraw/zinc/00/96/57/591009657.db2.gz CJIRLPAJWDOWHU-INIZCTEOSA-N 2 2 331.489 1.925 20 0 EDADLP [NH3+]CC12CCC(CC1)N2C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000891344381 591051379 /nfs/dbraw/zinc/05/13/79/591051379.db2.gz GJSWEBAYXGTSEB-UHFFFAOYSA-N 2 2 326.404 1.433 20 0 EDADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000892538888 591065375 /nfs/dbraw/zinc/06/53/75/591065375.db2.gz XQIWKKYSUYELCO-UHFFFAOYSA-N 2 2 342.447 1.182 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC000891462004 591080141 /nfs/dbraw/zinc/08/01/41/591080141.db2.gz PLAOBNLILUMVDZ-IEBWSBKVSA-N 3 2 349.523 1.129 20 0 EDADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3nnc(C4CC4)s3)ccn2)CC1 ZINC000892595752 591086160 /nfs/dbraw/zinc/08/61/60/591086160.db2.gz XFPBQRQNQMTHRF-UHFFFAOYSA-N 2 2 344.488 1.852 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000892609398 591093245 /nfs/dbraw/zinc/09/32/45/591093245.db2.gz OVKYZJVGTSPGMH-FUHWJXTLSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000892609398 591093247 /nfs/dbraw/zinc/09/32/47/591093247.db2.gz OVKYZJVGTSPGMH-FUHWJXTLSA-N 2 2 346.475 1.199 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1OC ZINC000892613958 591096742 /nfs/dbraw/zinc/09/67/42/591096742.db2.gz CWIWEHVOZUFIBR-GUDVDZBRSA-N 2 2 334.460 1.801 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000892615761 591097481 /nfs/dbraw/zinc/09/74/81/591097481.db2.gz QIOSVNQECPWMNK-IEBWSBKVSA-N 2 2 328.460 1.958 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000892615761 591097482 /nfs/dbraw/zinc/09/74/82/591097482.db2.gz QIOSVNQECPWMNK-IEBWSBKVSA-N 2 2 328.460 1.958 20 0 EDADLP CC1(C)CC[C@@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)[NH2+]C1 ZINC000891506527 591100264 /nfs/dbraw/zinc/10/02/64/591100264.db2.gz JGLZNNMNIATWGM-AWEZNQCLSA-N 2 2 326.485 1.175 20 0 EDADLP CC1(C)CC[C@@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)[NH2+]C1 ZINC000891506527 591100268 /nfs/dbraw/zinc/10/02/68/591100268.db2.gz JGLZNNMNIATWGM-AWEZNQCLSA-N 2 2 326.485 1.175 20 0 EDADLP CCOC(=O)c1ncc(C[NH2+]CCC[NH+]2CCC(O)CC2)s1 ZINC000892670843 591121651 /nfs/dbraw/zinc/12/16/51/591121651.db2.gz YJHLOXSEJLYGDD-UHFFFAOYSA-N 2 2 327.450 1.256 20 0 EDADLP COc1ccc(C[NH+]2CCN(c3nc(N)cc(C)[nH+]3)CC2)cc1F ZINC000891561151 591126020 /nfs/dbraw/zinc/12/60/20/591126020.db2.gz JKAIEEZURCVKLM-UHFFFAOYSA-N 2 2 331.395 1.837 20 0 EDADLP CC[C@H](CO)Nc1cc(NCC2(SC)CC[NH+](C)CC2)nc[nH+]1 ZINC000893910049 591134083 /nfs/dbraw/zinc/13/40/83/591134083.db2.gz BMQWPUFKVJLMQT-CYBMUJFWSA-N 2 2 339.509 1.899 20 0 EDADLP CC[C@H](CO)Nc1cc(NCC2(SC)CC[NH+](C)CC2)[nH+]cn1 ZINC000893910049 591134086 /nfs/dbraw/zinc/13/40/86/591134086.db2.gz BMQWPUFKVJLMQT-CYBMUJFWSA-N 2 2 339.509 1.899 20 0 EDADLP COCc1nccc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000892695133 591135764 /nfs/dbraw/zinc/13/57/64/591135764.db2.gz GISFRJZILBHHEZ-UHFFFAOYSA-N 2 2 333.480 1.985 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3[nH]nc(C)c3C)CC2)CC1 ZINC000894005986 591166430 /nfs/dbraw/zinc/16/64/30/591166430.db2.gz PJTSWYUHSWZHEF-UHFFFAOYSA-N 2 2 347.507 1.793 20 0 EDADLP C[C@@]1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH+]2CCC1CC2 ZINC000892781492 591173899 /nfs/dbraw/zinc/17/38/99/591173899.db2.gz OAXHHSPOHHVRFG-AZUAARDMSA-N 2 2 343.471 1.488 20 0 EDADLP C[C@@]1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH+]2CCC1CC2 ZINC000892781492 591173900 /nfs/dbraw/zinc/17/39/00/591173900.db2.gz OAXHHSPOHHVRFG-AZUAARDMSA-N 2 2 343.471 1.488 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000891730552 591202895 /nfs/dbraw/zinc/20/28/95/591202895.db2.gz KTEBIPOVEKRLNK-RKLWJJNISA-N 2 2 336.386 1.466 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000891730552 591202897 /nfs/dbraw/zinc/20/28/97/591202897.db2.gz KTEBIPOVEKRLNK-RKLWJJNISA-N 2 2 336.386 1.466 20 0 EDADLP Cc1[nH+]ccc(N(C)C[C@H](O)C[NH+]2CCOCC2)c1Br ZINC000892856158 591205549 /nfs/dbraw/zinc/20/55/49/591205549.db2.gz FOXBKYZZXCHKHH-LBPRGKRZSA-N 2 2 344.253 1.282 20 0 EDADLP c1nc2n(c1C[N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CCOC2 ZINC000894144690 591207014 /nfs/dbraw/zinc/20/70/14/591207014.db2.gz DXYCCETYWMCERQ-HDICACEKSA-N 2 2 338.455 1.977 20 0 EDADLP c1nc2n(c1C[N@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CCOC2 ZINC000894144690 591207017 /nfs/dbraw/zinc/20/70/17/591207017.db2.gz DXYCCETYWMCERQ-HDICACEKSA-N 2 2 338.455 1.977 20 0 EDADLP c1nc2n(c1C[NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)CCOC2 ZINC000894144690 591207020 /nfs/dbraw/zinc/20/70/20/591207020.db2.gz DXYCCETYWMCERQ-HDICACEKSA-N 2 2 338.455 1.977 20 0 EDADLP c1nc2n(c1C[NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)CCOC2 ZINC000894144690 591207021 /nfs/dbraw/zinc/20/70/21/591207021.db2.gz DXYCCETYWMCERQ-HDICACEKSA-N 2 2 338.455 1.977 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)C1(F)F ZINC000894149326 591208195 /nfs/dbraw/zinc/20/81/95/591208195.db2.gz JZMKLGMCYFUWEI-ZNMIVQPWSA-N 2 2 326.387 1.803 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccc[nH+]c3N3CCCC3)C[C@]2(C)C1 ZINC000895661835 591243184 /nfs/dbraw/zinc/24/31/84/591243184.db2.gz ILRRPFPCZCMSDG-APWZRJJASA-N 2 2 343.475 1.775 20 0 EDADLP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccc[nH+]c3N3CCCC3)C[C@]2(C)C1 ZINC000895661835 591243188 /nfs/dbraw/zinc/24/31/88/591243188.db2.gz ILRRPFPCZCMSDG-APWZRJJASA-N 2 2 343.475 1.775 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000895693826 591251221 /nfs/dbraw/zinc/25/12/21/591251221.db2.gz MQJXXDBKKBWKKM-SOUVJXGZSA-N 2 2 341.496 1.725 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000895693826 591251224 /nfs/dbraw/zinc/25/12/24/591251224.db2.gz MQJXXDBKKBWKKM-SOUVJXGZSA-N 2 2 341.496 1.725 20 0 EDADLP C[NH+]1CCC(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000894284719 591265765 /nfs/dbraw/zinc/26/57/65/591265765.db2.gz KLDCUNLMPJBSFC-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP C[NH+]1CCC(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000894284719 591265766 /nfs/dbraw/zinc/26/57/66/591265766.db2.gz KLDCUNLMPJBSFC-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)n[nH]1 ZINC000896153888 591366427 /nfs/dbraw/zinc/36/64/27/591366427.db2.gz ZWSLPMLGXBOOGG-CJNGLKHVSA-N 2 2 328.420 1.850 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)n[nH]1 ZINC000896153888 591366430 /nfs/dbraw/zinc/36/64/30/591366430.db2.gz ZWSLPMLGXBOOGG-CJNGLKHVSA-N 2 2 328.420 1.850 20 0 EDADLP Cc1cc(N)nc(NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)[nH+]1 ZINC000894632572 591372203 /nfs/dbraw/zinc/37/22/03/591372203.db2.gz UKCKUFJLKNGQAP-INIZCTEOSA-N 2 2 326.448 1.595 20 0 EDADLP Cc1cc(N)nc(NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)[nH+]1 ZINC000894632572 591372206 /nfs/dbraw/zinc/37/22/06/591372206.db2.gz UKCKUFJLKNGQAP-INIZCTEOSA-N 2 2 326.448 1.595 20 0 EDADLP Cc1cc(N)nc(NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000894632572 591372209 /nfs/dbraw/zinc/37/22/09/591372209.db2.gz UKCKUFJLKNGQAP-INIZCTEOSA-N 2 2 326.448 1.595 20 0 EDADLP Cc1cc(N)nc(NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000894632572 591372213 /nfs/dbraw/zinc/37/22/13/591372213.db2.gz UKCKUFJLKNGQAP-INIZCTEOSA-N 2 2 326.448 1.595 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCc3cn(C)c[nH+]3)CC2)CC1 ZINC000898626299 591448843 /nfs/dbraw/zinc/44/88/43/591448843.db2.gz FQFLCLSFZPHFFZ-UHFFFAOYSA-N 2 2 348.495 1.120 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1noc(-c2ccc(F)cc2)n1 ZINC000898670613 591468522 /nfs/dbraw/zinc/46/85/22/591468522.db2.gz ZHTGTYQGXXOMOQ-UHFFFAOYSA-N 2 2 349.410 1.489 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1noc(-c2ccc(F)cc2)n1 ZINC000898670613 591468523 /nfs/dbraw/zinc/46/85/23/591468523.db2.gz ZHTGTYQGXXOMOQ-UHFFFAOYSA-N 2 2 349.410 1.489 20 0 EDADLP Cc1cc(N)nc(NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)[nH+]1 ZINC000895002285 591514305 /nfs/dbraw/zinc/51/43/05/591514305.db2.gz HJCMNJOJNGGRLK-INIZCTEOSA-N 2 2 327.432 1.989 20 0 EDADLP Cc1cc(N)nc(NC[C@H]2C[N@@H+](Cc3ccccc3C)CCO2)[nH+]1 ZINC000895002285 591514308 /nfs/dbraw/zinc/51/43/08/591514308.db2.gz HJCMNJOJNGGRLK-INIZCTEOSA-N 2 2 327.432 1.989 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000897590066 591572275 /nfs/dbraw/zinc/57/22/75/591572275.db2.gz GBFQNHGNCIKELE-INIZCTEOSA-N 2 2 345.443 1.481 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000898961659 591618211 /nfs/dbraw/zinc/61/82/11/591618211.db2.gz JDWZWIUGGFQXOZ-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000898961816 591618297 /nfs/dbraw/zinc/61/82/97/591618297.db2.gz KPAKPVHSFUGKTM-OKILXGFUSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000898961816 591618300 /nfs/dbraw/zinc/61/83/00/591618300.db2.gz KPAKPVHSFUGKTM-OKILXGFUSA-N 2 2 345.447 1.239 20 0 EDADLP CN(C)c1nc(N[C@@H]2CCc3[nH+]cc(Br)n3C2)cc[nH+]1 ZINC000897756539 591645456 /nfs/dbraw/zinc/64/54/56/591645456.db2.gz BBIPIHLDVRKMJZ-SECBINFHSA-N 2 2 337.225 1.929 20 0 EDADLP O=C(NCC1CC[NH+](CC(F)F)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000897791445 591670256 /nfs/dbraw/zinc/67/02/56/591670256.db2.gz MZQFPPBPISHYAT-UHFFFAOYSA-N 2 2 345.434 1.191 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)n1C ZINC000897892857 591709841 /nfs/dbraw/zinc/70/98/41/591709841.db2.gz DGLQVBFBHLMVLL-UHFFFAOYSA-N 2 2 349.479 1.137 20 0 EDADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccc(S(N)(=O)=O)c1 ZINC000895381254 591737640 /nfs/dbraw/zinc/73/76/40/591737640.db2.gz RVYBZWRGLZNQKZ-RHSMWYFYSA-N 2 2 339.505 1.886 20 0 EDADLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc(S(N)(=O)=O)c1 ZINC000895381254 591737644 /nfs/dbraw/zinc/73/76/44/591737644.db2.gz RVYBZWRGLZNQKZ-RHSMWYFYSA-N 2 2 339.505 1.886 20 0 EDADLP COCCOC[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000895467316 591768574 /nfs/dbraw/zinc/76/85/74/591768574.db2.gz LPGGTRIXWGPMOS-PKOBYXMFSA-N 2 2 335.492 1.444 20 0 EDADLP COCCOC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000895467316 591768576 /nfs/dbraw/zinc/76/85/76/591768576.db2.gz LPGGTRIXWGPMOS-PKOBYXMFSA-N 2 2 335.492 1.444 20 0 EDADLP CN(C)c1cc[nH+]c(CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)c1 ZINC000895471573 591772808 /nfs/dbraw/zinc/77/28/08/591772808.db2.gz SQNKUTOKWYZGLZ-UHFFFAOYSA-N 2 2 342.447 1.901 20 0 EDADLP CN(C)c1cc[nH+]c(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)c1 ZINC000895471573 591772811 /nfs/dbraw/zinc/77/28/11/591772811.db2.gz SQNKUTOKWYZGLZ-UHFFFAOYSA-N 2 2 342.447 1.901 20 0 EDADLP CC[C@H](C)[C@H](C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)OC ZINC000895550884 591798161 /nfs/dbraw/zinc/79/81/61/591798161.db2.gz LOIIJSOUBWIBTB-HOTGVXAUSA-N 2 2 325.497 1.853 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000899958847 591844091 /nfs/dbraw/zinc/84/40/91/591844091.db2.gz YVAIGXSUGRICEX-RVKKMQEKSA-N 2 2 335.448 1.378 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000899958847 591844093 /nfs/dbraw/zinc/84/40/93/591844093.db2.gz YVAIGXSUGRICEX-RVKKMQEKSA-N 2 2 335.448 1.378 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000899972962 591845524 /nfs/dbraw/zinc/84/55/24/591845524.db2.gz VIKMVUHGLQMTBW-PKOBYXMFSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000899972962 591845528 /nfs/dbraw/zinc/84/55/28/591845528.db2.gz VIKMVUHGLQMTBW-PKOBYXMFSA-N 2 2 331.460 1.094 20 0 EDADLP O=C(NCc1ccccc1-c1[nH]cc[nH+]1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000909639647 591878930 /nfs/dbraw/zinc/87/89/30/591878930.db2.gz YWXPDPOQFOBNEJ-ZBFHGGJFSA-N 2 2 326.400 1.556 20 0 EDADLP O=C(NCc1ccccc1-c1[nH]cc[nH+]1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000909639647 591878933 /nfs/dbraw/zinc/87/89/33/591878933.db2.gz YWXPDPOQFOBNEJ-ZBFHGGJFSA-N 2 2 326.400 1.556 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000899908923 591975470 /nfs/dbraw/zinc/97/54/70/591975470.db2.gz HCQJDHBELOUVPX-UHFFFAOYSA-N 2 2 341.459 1.403 20 0 EDADLP CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900305436 591981751 /nfs/dbraw/zinc/98/17/51/591981751.db2.gz NWJUQYHHONCZQH-WAIALKQBSA-N 2 2 325.497 1.892 20 0 EDADLP CCN(c1ccccc1)c1cc(N2CC[NH2+]CC[NH2+]CC2)ncn1 ZINC000900369670 591998640 /nfs/dbraw/zinc/99/86/40/591998640.db2.gz YEAZOZLIFMYMTM-UHFFFAOYSA-N 2 2 326.448 1.634 20 0 EDADLP O=c1[nH]ncc(N2CC[C@H]([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C2)c1Cl ZINC000902522841 592010296 /nfs/dbraw/zinc/01/02/96/592010296.db2.gz YRTXKENLDIPJEP-DRZUPDRUSA-N 2 2 335.839 1.000 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000900411009 592011320 /nfs/dbraw/zinc/01/13/20/592011320.db2.gz AMJHMJQMJXWTFE-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000900411009 592011322 /nfs/dbraw/zinc/01/13/22/592011322.db2.gz AMJHMJQMJXWTFE-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)[nH+]c1NC ZINC000900480118 592030370 /nfs/dbraw/zinc/03/03/70/592030370.db2.gz BVRKCXMGSQRTPY-MRXNPFEDSA-N 3 2 347.507 1.920 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)[nH+]c1NC ZINC000900480118 592030373 /nfs/dbraw/zinc/03/03/73/592030373.db2.gz BVRKCXMGSQRTPY-MRXNPFEDSA-N 3 2 347.507 1.920 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(CCCC(=O)OC(C)(C)C)nn2)CC1 ZINC000900538414 592050671 /nfs/dbraw/zinc/05/06/71/592050671.db2.gz XNVSOUCWFBLCNH-UHFFFAOYSA-N 2 2 337.468 1.584 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1)[NH+]1CCOCC1 ZINC000900577402 592057006 /nfs/dbraw/zinc/05/70/06/592057006.db2.gz SOOYWFMXHFQWFR-BJZITVGISA-N 2 2 347.459 1.473 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c1)[NH+]1CCOCC1 ZINC000900577402 592057010 /nfs/dbraw/zinc/05/70/10/592057010.db2.gz SOOYWFMXHFQWFR-BJZITVGISA-N 2 2 347.459 1.473 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)oc1C ZINC000900593863 592062755 /nfs/dbraw/zinc/06/27/55/592062755.db2.gz JONMXCOXCLKZAO-UHFFFAOYSA-N 2 2 332.448 1.422 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)oc1C ZINC000900593863 592062757 /nfs/dbraw/zinc/06/27/57/592062757.db2.gz JONMXCOXCLKZAO-UHFFFAOYSA-N 2 2 332.448 1.422 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900657746 592083622 /nfs/dbraw/zinc/08/36/22/592083622.db2.gz ADJHWGAWWZGHSW-SJORKVTESA-N 2 2 345.491 1.564 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900657746 592083625 /nfs/dbraw/zinc/08/36/25/592083625.db2.gz ADJHWGAWWZGHSW-SJORKVTESA-N 2 2 345.491 1.564 20 0 EDADLP COc1cccc(O)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900670699 592090270 /nfs/dbraw/zinc/09/02/70/592090270.db2.gz UAAUHYOIKMPUME-HNNXBMFYSA-N 2 2 347.459 1.641 20 0 EDADLP COc1cccc(O)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900670699 592090271 /nfs/dbraw/zinc/09/02/71/592090271.db2.gz UAAUHYOIKMPUME-HNNXBMFYSA-N 2 2 347.459 1.641 20 0 EDADLP Cc1nc(C)c(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000900692715 592096359 /nfs/dbraw/zinc/09/63/59/592096359.db2.gz JUIUDSSJXUOAJT-UHFFFAOYSA-N 2 2 338.521 1.787 20 0 EDADLP Cc1nc(C)c(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000900692715 592096362 /nfs/dbraw/zinc/09/63/62/592096362.db2.gz JUIUDSSJXUOAJT-UHFFFAOYSA-N 2 2 338.521 1.787 20 0 EDADLP C[C@H]1Cc2cn[nH]c2[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693407 592096831 /nfs/dbraw/zinc/09/68/31/592096831.db2.gz RNFFVUUKYRVZOV-WMLDXEAASA-N 2 2 347.507 1.560 20 0 EDADLP C[C@H]1Cc2cn[nH]c2[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693407 592096833 /nfs/dbraw/zinc/09/68/33/592096833.db2.gz RNFFVUUKYRVZOV-WMLDXEAASA-N 2 2 347.507 1.560 20 0 EDADLP C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693407 592096836 /nfs/dbraw/zinc/09/68/36/592096836.db2.gz RNFFVUUKYRVZOV-WMLDXEAASA-N 2 2 347.507 1.560 20 0 EDADLP C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693407 592096839 /nfs/dbraw/zinc/09/68/39/592096839.db2.gz RNFFVUUKYRVZOV-WMLDXEAASA-N 2 2 347.507 1.560 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2nsnc21 ZINC000900693649 592096911 /nfs/dbraw/zinc/09/69/11/592096911.db2.gz ZIUTWLVEBSDSJY-UHFFFAOYSA-N 2 2 347.488 1.789 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2nsnc21 ZINC000900693649 592096912 /nfs/dbraw/zinc/09/69/12/592096912.db2.gz ZIUTWLVEBSDSJY-UHFFFAOYSA-N 2 2 347.488 1.789 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000900693395 592097137 /nfs/dbraw/zinc/09/71/37/592097137.db2.gz RKMNQAVRJGZJRY-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000900693395 592097140 /nfs/dbraw/zinc/09/71/40/592097140.db2.gz RKMNQAVRJGZJRY-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(NCc3[nH+]ccn3C)cc2)CC[N@@H+]1C ZINC000900847733 592146893 /nfs/dbraw/zinc/14/68/93/592146893.db2.gz PSMMTTOZJQNSMP-AWEZNQCLSA-N 2 2 327.432 1.808 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(NCc3[nH+]ccn3C)cc2)CC[N@H+]1C ZINC000900847733 592146897 /nfs/dbraw/zinc/14/68/97/592146897.db2.gz PSMMTTOZJQNSMP-AWEZNQCLSA-N 2 2 327.432 1.808 20 0 EDADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903292008 592152214 /nfs/dbraw/zinc/15/22/14/592152214.db2.gz PQTRZOLCPUNWHT-OAHLLOKOSA-N 2 2 348.472 1.949 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903301280 592153491 /nfs/dbraw/zinc/15/34/91/592153491.db2.gz PNFHFNWHAVLGOW-KCQAQPDRSA-N 2 2 325.478 1.694 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903301280 592153492 /nfs/dbraw/zinc/15/34/92/592153492.db2.gz PNFHFNWHAVLGOW-KCQAQPDRSA-N 2 2 325.478 1.694 20 0 EDADLP OC1(C2(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)CC2)CCOCC1 ZINC000903350016 592157586 /nfs/dbraw/zinc/15/75/86/592157586.db2.gz OKIXMAXQORFMQA-UHFFFAOYSA-N 2 2 345.487 1.957 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903469998 592175443 /nfs/dbraw/zinc/17/54/43/592175443.db2.gz YZZZHVIERHDNIQ-SUMWQHHRSA-N 2 2 347.459 1.755 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903485757 592178143 /nfs/dbraw/zinc/17/81/43/592178143.db2.gz PZCKYZQUMZBBOK-KRWDZBQOSA-N 2 2 331.460 1.714 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903486830 592182173 /nfs/dbraw/zinc/18/21/73/592182173.db2.gz XWAAXXYDLPYZRR-QGZVFWFLSA-N 2 2 331.460 1.918 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900982996 592189690 /nfs/dbraw/zinc/18/96/90/592189690.db2.gz HHEYIIASEVXJFY-AENFJUBXSA-N 2 2 335.492 1.740 20 0 EDADLP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900982996 592189691 /nfs/dbraw/zinc/18/96/91/592189691.db2.gz HHEYIIASEVXJFY-AENFJUBXSA-N 2 2 335.492 1.740 20 0 EDADLP Cc1c(Cl)cccc1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903566414 592212606 /nfs/dbraw/zinc/21/26/06/592212606.db2.gz SKPVKFFYHFZKRD-UHFFFAOYSA-N 2 2 331.869 1.350 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000903568692 592223882 /nfs/dbraw/zinc/22/38/82/592223882.db2.gz NQRBYGKQELJJOT-UHFFFAOYSA-N 2 2 335.832 1.181 20 0 EDADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2Br)C1 ZINC000904343823 592234342 /nfs/dbraw/zinc/23/43/42/592234342.db2.gz XOVMWUGULIDRKC-WDMOLILDSA-N 2 2 338.249 1.659 20 0 EDADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2Br)C1 ZINC000904343823 592234343 /nfs/dbraw/zinc/23/43/43/592234343.db2.gz XOVMWUGULIDRKC-WDMOLILDSA-N 2 2 338.249 1.659 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000901157516 592266461 /nfs/dbraw/zinc/26/64/61/592266461.db2.gz LULNQQUUGPFEMX-HUUCEWRRSA-N 2 2 348.447 1.152 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000901157516 592266464 /nfs/dbraw/zinc/26/64/64/592266464.db2.gz LULNQQUUGPFEMX-HUUCEWRRSA-N 2 2 348.447 1.152 20 0 EDADLP CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000904476301 592269333 /nfs/dbraw/zinc/26/93/33/592269333.db2.gz QCLLFSHQJPCPJK-GTJPDFRWSA-N 2 2 326.457 1.255 20 0 EDADLP C/C(=C\C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000901218861 592292443 /nfs/dbraw/zinc/29/24/43/592292443.db2.gz NVCAIFOIZVLOPO-HAZIXKIPSA-N 2 2 329.444 1.568 20 0 EDADLP C/C(=C\C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000901218861 592292448 /nfs/dbraw/zinc/29/24/48/592292448.db2.gz NVCAIFOIZVLOPO-HAZIXKIPSA-N 2 2 329.444 1.568 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903752665 592296785 /nfs/dbraw/zinc/29/67/85/592296785.db2.gz PCXNRYJGSYOQIF-HNNXBMFYSA-N 2 2 339.480 1.110 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903752665 592296786 /nfs/dbraw/zinc/29/67/86/592296786.db2.gz PCXNRYJGSYOQIF-HNNXBMFYSA-N 2 2 339.480 1.110 20 0 EDADLP Cn1ncc2c1nc(C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1)[nH]c2=O ZINC000903816280 592324664 /nfs/dbraw/zinc/32/46/64/592324664.db2.gz XUCGHXLIQSXIPA-ZDUSSCGKSA-N 2 2 330.436 1.552 20 0 EDADLP Cn1ncc2c1nc(C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1)[nH]c2=O ZINC000903816280 592324668 /nfs/dbraw/zinc/32/46/68/592324668.db2.gz XUCGHXLIQSXIPA-ZDUSSCGKSA-N 2 2 330.436 1.552 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903805917 592328668 /nfs/dbraw/zinc/32/86/68/592328668.db2.gz SESDOYHUJMAWBC-WDYCEAGBSA-N 2 2 347.459 1.588 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903805917 592328672 /nfs/dbraw/zinc/32/86/72/592328672.db2.gz SESDOYHUJMAWBC-WDYCEAGBSA-N 2 2 347.459 1.588 20 0 EDADLP Cc1cn2c(nc(C[N@@H+]3CC[NH2+]CCC34CCOCC4)cc2=O)s1 ZINC000903820175 592333580 /nfs/dbraw/zinc/33/35/80/592333580.db2.gz WAJHETPHMSKTMQ-UHFFFAOYSA-N 2 2 348.472 1.409 20 0 EDADLP Cc1cn2c(nc(C[N@H+]3CC[NH2+]CCC34CCOCC4)cc2=O)s1 ZINC000903820175 592333584 /nfs/dbraw/zinc/33/35/84/592333584.db2.gz WAJHETPHMSKTMQ-UHFFFAOYSA-N 2 2 348.472 1.409 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1cccc(N3CCCC3=O)c1)C2 ZINC000903846311 592343530 /nfs/dbraw/zinc/34/35/30/592343530.db2.gz DGHQXOPRKZTFHC-ZQIUZPCESA-N 2 2 342.443 1.564 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1cccc(N3CCCC3=O)c1)C2 ZINC000903846311 592343535 /nfs/dbraw/zinc/34/35/35/592343535.db2.gz DGHQXOPRKZTFHC-ZQIUZPCESA-N 2 2 342.443 1.564 20 0 EDADLP Fc1ccc(N2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000903873619 592355438 /nfs/dbraw/zinc/35/54/38/592355438.db2.gz VQLPBLCDLOKHJS-KRWDZBQOSA-N 2 2 344.438 1.664 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@H]([NH3+])CC(F)F)CC2)C1 ZINC000903878476 592358465 /nfs/dbraw/zinc/35/84/65/592358465.db2.gz VPBZBIGZDYWJDZ-RBSFLKMASA-N 2 2 346.466 1.091 20 0 EDADLP Cc1nnc([C@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898080 592369853 /nfs/dbraw/zinc/36/98/53/592369853.db2.gz IQSMZVCMDOXXRM-KBPBESRZSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nnc([C@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898080 592369858 /nfs/dbraw/zinc/36/98/58/592369858.db2.gz IQSMZVCMDOXXRM-KBPBESRZSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903898080 592369862 /nfs/dbraw/zinc/36/98/62/592369862.db2.gz IQSMZVCMDOXXRM-KBPBESRZSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903898080 592369866 /nfs/dbraw/zinc/36/98/66/592369866.db2.gz IQSMZVCMDOXXRM-KBPBESRZSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nc([C@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903898080 592369870 /nfs/dbraw/zinc/36/98/70/592369870.db2.gz IQSMZVCMDOXXRM-KBPBESRZSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nc([C@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903898080 592369874 /nfs/dbraw/zinc/36/98/74/592369874.db2.gz IQSMZVCMDOXXRM-KBPBESRZSA-N 2 2 330.440 1.009 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903912273 592375132 /nfs/dbraw/zinc/37/51/32/592375132.db2.gz CJMGPNFTAQGAFH-LSDHHAIUSA-N 3 2 329.452 1.316 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903912273 592375138 /nfs/dbraw/zinc/37/51/38/592375138.db2.gz CJMGPNFTAQGAFH-LSDHHAIUSA-N 3 2 329.452 1.316 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cnn1C ZINC000903913974 592376405 /nfs/dbraw/zinc/37/64/05/592376405.db2.gz QYDMDMPSDIUQIU-HOTGVXAUSA-N 3 2 330.480 1.459 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cnn1C ZINC000903913974 592376412 /nfs/dbraw/zinc/37/64/12/592376412.db2.gz QYDMDMPSDIUQIU-HOTGVXAUSA-N 3 2 330.480 1.459 20 0 EDADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074258 592403345 /nfs/dbraw/zinc/40/33/45/592403345.db2.gz FVKAUURDEVVYES-MXWKQRLJSA-N 2 2 332.313 1.388 20 0 EDADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074258 592403347 /nfs/dbraw/zinc/40/33/47/592403347.db2.gz FVKAUURDEVVYES-MXWKQRLJSA-N 2 2 332.313 1.388 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1)C[NH+]1CCOCC1 ZINC000905135714 592431229 /nfs/dbraw/zinc/43/12/29/592431229.db2.gz OYEKZVLEUBKFDW-QRQLOZEOSA-N 2 2 336.476 1.419 20 0 EDADLP CC1(C)C[NH2+]C[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000904303816 592472199 /nfs/dbraw/zinc/47/21/99/592472199.db2.gz IAXJKSSVSZTSKW-MRXNPFEDSA-N 2 2 332.448 1.638 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)n1 ZINC000905534301 592554741 /nfs/dbraw/zinc/55/47/41/592554741.db2.gz XJGLCMWLFXUABN-CQSZACIVSA-N 2 2 339.436 1.873 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)c1c(F)cccc1F ZINC000905620506 592587736 /nfs/dbraw/zinc/58/77/36/592587736.db2.gz SBRAYGBPZOJEJW-BBRMVZONSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)c1c(F)cccc1F ZINC000905620506 592587738 /nfs/dbraw/zinc/58/77/38/592587738.db2.gz SBRAYGBPZOJEJW-BBRMVZONSA-N 2 2 326.387 1.841 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=S)NCC(C)(C)C[NH+](C)C)n1 ZINC000905620335 592587817 /nfs/dbraw/zinc/58/78/17/592587817.db2.gz ZXTCFIYQQHVOIG-UHFFFAOYSA-N 2 2 343.566 1.757 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000905625035 592589245 /nfs/dbraw/zinc/58/92/45/592589245.db2.gz OYCDZUGOWQNDFP-ROUUACIJSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000905625035 592589246 /nfs/dbraw/zinc/58/92/46/592589246.db2.gz OYCDZUGOWQNDFP-ROUUACIJSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000905625033 592589265 /nfs/dbraw/zinc/58/92/65/592589265.db2.gz OYCDZUGOWQNDFP-QZTJIDSGSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000905625033 592589266 /nfs/dbraw/zinc/58/92/66/592589266.db2.gz OYCDZUGOWQNDFP-QZTJIDSGSA-N 2 2 334.460 1.578 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NC3CC[NH+](C4CC4)CC3)co2)C1 ZINC000905633058 592591709 /nfs/dbraw/zinc/59/17/09/592591709.db2.gz JYWSXGWJLZEKRJ-HNNXBMFYSA-N 2 2 348.447 1.252 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000907394521 592624736 /nfs/dbraw/zinc/62/47/36/592624736.db2.gz RGRFJDSAHFHRGM-ICFOKQHNSA-N 2 2 325.497 1.845 20 0 EDADLP CCCCNc1cc(N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)nc(N)[nH+]1 ZINC000905724328 592629922 /nfs/dbraw/zinc/62/99/22/592629922.db2.gz SOAHKEYRUJNFQN-NXEZZACHSA-N 2 2 332.374 1.987 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)CC2(O)CCCCC2)C1 ZINC000905938312 592689734 /nfs/dbraw/zinc/68/97/34/592689734.db2.gz PTMXQLPNHRIINV-IAGOWNOFSA-N 2 2 328.497 1.379 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)CC2(O)CCCCC2)C1 ZINC000905938312 592689736 /nfs/dbraw/zinc/68/97/36/592689736.db2.gz PTMXQLPNHRIINV-IAGOWNOFSA-N 2 2 328.497 1.379 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000907559471 592708920 /nfs/dbraw/zinc/70/89/20/592708920.db2.gz LTGWIUAGCUPKBR-YQQAZPJKSA-N 2 2 334.464 1.878 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C1 ZINC000907559471 592708922 /nfs/dbraw/zinc/70/89/22/592708922.db2.gz LTGWIUAGCUPKBR-YQQAZPJKSA-N 2 2 334.464 1.878 20 0 EDADLP C[C@H]1C[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)c2[nH+]ccn21 ZINC000909213479 592771855 /nfs/dbraw/zinc/77/18/55/592771855.db2.gz AZGXLCMOJMJEPC-LBDPXKHJSA-N 2 2 332.448 1.896 20 0 EDADLP C/C(=C\C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C[NH+]1CCOCC1 ZINC000907836237 592810942 /nfs/dbraw/zinc/81/09/42/592810942.db2.gz KPYPBXNEOWGXNP-OKACTXMXSA-N 2 2 331.416 1.340 20 0 EDADLP Cc1ccc([C@H](C)NC(=O)C(=O)NCC[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000911144583 592938838 /nfs/dbraw/zinc/93/88/38/592938838.db2.gz FWBLGJJKSFXKGD-HNNXBMFYSA-N 2 2 346.475 1.020 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N(C)C[C@H]3CCC[NH+]3C)co2)C1 ZINC000911199784 592952500 /nfs/dbraw/zinc/95/25/00/592952500.db2.gz FPFKUOMEAFSMSE-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N(C)C[C@H]3CCC[NH+]3C)co2)C1 ZINC000911199784 592952501 /nfs/dbraw/zinc/95/25/01/592952501.db2.gz FPFKUOMEAFSMSE-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)co2)C1 ZINC000911199784 592952502 /nfs/dbraw/zinc/95/25/02/592952502.db2.gz FPFKUOMEAFSMSE-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N(C)C[C@H]3CCC[N@H+]3C)co2)C1 ZINC000911199784 592952503 /nfs/dbraw/zinc/95/25/03/592952503.db2.gz FPFKUOMEAFSMSE-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[NH2+]CCN1C)c1ccc(Cl)cc1 ZINC000912135994 593064926 /nfs/dbraw/zinc/06/49/26/593064926.db2.gz OUFHXZHLBJWTIP-LSDHHAIUSA-N 2 2 347.850 1.183 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840079764 593128895 /nfs/dbraw/zinc/12/88/95/593128895.db2.gz YTTCVKHETWPPOE-GOSISDBHSA-N 2 2 329.448 1.304 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840079764 593128897 /nfs/dbraw/zinc/12/88/97/593128897.db2.gz YTTCVKHETWPPOE-GOSISDBHSA-N 2 2 329.448 1.304 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840079764 593128898 /nfs/dbraw/zinc/12/88/98/593128898.db2.gz YTTCVKHETWPPOE-GOSISDBHSA-N 2 2 329.448 1.304 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840079764 593128900 /nfs/dbraw/zinc/12/89/00/593128900.db2.gz YTTCVKHETWPPOE-GOSISDBHSA-N 2 2 329.448 1.304 20 0 EDADLP O=C1N(C[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C2CC2)[C@]12CCCO2 ZINC000839955016 593224213 /nfs/dbraw/zinc/22/42/13/593224213.db2.gz YNWXXFDLPATUTG-PKOBYXMFSA-N 2 2 342.443 1.331 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CCN(Cc3cccnc3)C2=O)C1 ZINC000840029748 593394004 /nfs/dbraw/zinc/39/40/04/593394004.db2.gz GPJXYWKKWRAEGE-ROUUACIJSA-N 2 2 343.475 1.693 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CCN(Cc3cccnc3)C2=O)C1 ZINC000840029748 593394008 /nfs/dbraw/zinc/39/40/08/593394008.db2.gz GPJXYWKKWRAEGE-ROUUACIJSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2CCN(Cc3cccnc3)C2=O)C1 ZINC000840029748 593394011 /nfs/dbraw/zinc/39/40/11/593394011.db2.gz GPJXYWKKWRAEGE-ROUUACIJSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2CCN(Cc3cccnc3)C2=O)C1 ZINC000840029748 593394013 /nfs/dbraw/zinc/39/40/13/593394013.db2.gz GPJXYWKKWRAEGE-ROUUACIJSA-N 2 2 343.475 1.693 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030743 593395044 /nfs/dbraw/zinc/39/50/44/593395044.db2.gz MNCWDXWMCOUHFD-JDFNMSKQSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030743 593395047 /nfs/dbraw/zinc/39/50/47/593395047.db2.gz MNCWDXWMCOUHFD-JDFNMSKQSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030743 593395050 /nfs/dbraw/zinc/39/50/50/593395050.db2.gz MNCWDXWMCOUHFD-JDFNMSKQSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030743 593395052 /nfs/dbraw/zinc/39/50/52/593395052.db2.gz MNCWDXWMCOUHFD-JDFNMSKQSA-N 2 2 345.487 1.781 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](COC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000774087012 593461569 /nfs/dbraw/zinc/46/15/69/593461569.db2.gz MHAUYEWKMHDAEE-LSDHHAIUSA-N 2 2 330.494 1.324 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](COC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000774087012 593461570 /nfs/dbraw/zinc/46/15/70/593461570.db2.gz MHAUYEWKMHDAEE-LSDHHAIUSA-N 2 2 330.494 1.324 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](COC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000774087012 593461571 /nfs/dbraw/zinc/46/15/71/593461571.db2.gz MHAUYEWKMHDAEE-LSDHHAIUSA-N 2 2 330.494 1.324 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](COC(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000774087012 593461572 /nfs/dbraw/zinc/46/15/72/593461572.db2.gz MHAUYEWKMHDAEE-LSDHHAIUSA-N 2 2 330.494 1.324 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000811759234 593479804 /nfs/dbraw/zinc/47/98/04/593479804.db2.gz BPPLORXJIFLIFE-NXHRZFHOSA-N 2 2 348.535 1.549 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000811759234 593479805 /nfs/dbraw/zinc/47/98/05/593479805.db2.gz BPPLORXJIFLIFE-NXHRZFHOSA-N 2 2 348.535 1.549 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)n1C ZINC000813338190 593527701 /nfs/dbraw/zinc/52/77/01/593527701.db2.gz ZTEMBXXUKFVDRC-UKRRQHHQSA-N 2 2 332.452 1.165 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)n1C ZINC000813338190 593527703 /nfs/dbraw/zinc/52/77/03/593527703.db2.gz ZTEMBXXUKFVDRC-UKRRQHHQSA-N 2 2 332.452 1.165 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000816919293 593558444 /nfs/dbraw/zinc/55/84/44/593558444.db2.gz HPFAGBWGYFUANP-SJLPKXTDSA-N 2 2 331.460 1.206 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000816919293 593558445 /nfs/dbraw/zinc/55/84/45/593558445.db2.gz HPFAGBWGYFUANP-SJLPKXTDSA-N 2 2 331.460 1.206 20 0 EDADLP COC(=O)C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000817275925 593587186 /nfs/dbraw/zinc/58/71/86/593587186.db2.gz NVUQFVVRTMSMRV-SFHVURJKSA-N 2 2 332.444 1.950 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnn(C)c3Cl)cn2)CC1 ZINC000815115569 593616363 /nfs/dbraw/zinc/61/63/63/593616363.db2.gz IVMMVEDMEUOFSI-UHFFFAOYSA-N 2 2 348.882 1.900 20 0 EDADLP Cn1ncc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1Cl ZINC000815129161 593616846 /nfs/dbraw/zinc/61/68/46/593616846.db2.gz IGSGZQQKQAKHMM-GJZGRUSLSA-N 2 2 326.872 1.931 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cnn(C)c2Cl)C1=O ZINC000815134815 593617689 /nfs/dbraw/zinc/61/76/89/593617689.db2.gz JXERIJWBOQDOTD-LBPRGKRZSA-N 2 2 336.827 1.088 20 0 EDADLP FC1(F)Oc2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2O1 ZINC000818187423 593679845 /nfs/dbraw/zinc/67/98/45/593679845.db2.gz XYDIDIUDWZRJPD-STQMWFEESA-N 2 2 326.343 1.961 20 0 EDADLP FC1(F)Oc2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2O1 ZINC000818187423 593679846 /nfs/dbraw/zinc/67/98/46/593679846.db2.gz XYDIDIUDWZRJPD-STQMWFEESA-N 2 2 326.343 1.961 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000819244528 593746443 /nfs/dbraw/zinc/74/64/43/593746443.db2.gz LHNHLUUSAZJCNX-HNNXBMFYSA-N 2 2 327.432 1.882 20 0 EDADLP C[NH+](C)C1CCN(c2ccc([NH2+]CCS(C)(=O)=O)cc2)CC1 ZINC000819465674 593755857 /nfs/dbraw/zinc/75/58/57/593755857.db2.gz BLCGIDGHENJHFI-UHFFFAOYSA-N 2 2 325.478 1.674 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCOCC1)C[NH+](C)C ZINC000821542525 593860268 /nfs/dbraw/zinc/86/02/68/593860268.db2.gz WTBCEUZLCQNBIJ-HNNXBMFYSA-N 2 2 334.464 1.838 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821687561 593914645 /nfs/dbraw/zinc/91/46/45/593914645.db2.gz FNAJHVZBCSOIOQ-UHFFFAOYSA-N 2 2 348.426 1.596 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821252696 593997396 /nfs/dbraw/zinc/99/73/96/593997396.db2.gz BCMNOAOIDMDFFE-CVEARBPZSA-N 2 2 342.447 1.804 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821252696 593997399 /nfs/dbraw/zinc/99/73/99/593997399.db2.gz BCMNOAOIDMDFFE-CVEARBPZSA-N 2 2 342.447 1.804 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821252696 593997401 /nfs/dbraw/zinc/99/74/01/593997401.db2.gz BCMNOAOIDMDFFE-CVEARBPZSA-N 2 2 342.447 1.804 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821252696 593997404 /nfs/dbraw/zinc/99/74/04/593997404.db2.gz BCMNOAOIDMDFFE-CVEARBPZSA-N 2 2 342.447 1.804 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000824565547 594039519 /nfs/dbraw/zinc/03/95/19/594039519.db2.gz YJLHNXLNVFUDLW-KFWWJZLASA-N 2 2 348.434 1.790 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000824565547 594039520 /nfs/dbraw/zinc/03/95/20/594039520.db2.gz YJLHNXLNVFUDLW-KFWWJZLASA-N 2 2 348.434 1.790 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568582 594039857 /nfs/dbraw/zinc/03/98/57/594039857.db2.gz AVUFMMBTFRMNOO-BBRMVZONSA-N 2 2 330.436 1.364 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584589 594042634 /nfs/dbraw/zinc/04/26/34/594042634.db2.gz CIAFKAKHRBIEJY-RCBQFDQVSA-N 2 2 328.420 1.381 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824584589 594042636 /nfs/dbraw/zinc/04/26/36/594042636.db2.gz CIAFKAKHRBIEJY-RCBQFDQVSA-N 2 2 328.420 1.381 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000822808088 594103814 /nfs/dbraw/zinc/10/38/14/594103814.db2.gz PDJNQMDBLMDCFT-CYBMUJFWSA-N 2 2 327.344 1.875 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000827666695 594254365 /nfs/dbraw/zinc/25/43/65/594254365.db2.gz WBCVOIQGSZZPGO-QGZVFWFLSA-N 2 2 341.496 1.106 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2nn[nH]n2)o1 ZINC000825851999 594262286 /nfs/dbraw/zinc/26/22/86/594262286.db2.gz ZVKAKJFZXSPWER-UXIGCNINSA-N 2 2 332.408 1.143 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2nn[nH]n2)o1 ZINC000825851999 594262288 /nfs/dbraw/zinc/26/22/88/594262288.db2.gz ZVKAKJFZXSPWER-UXIGCNINSA-N 2 2 332.408 1.143 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000826364556 594446027 /nfs/dbraw/zinc/44/60/27/594446027.db2.gz ABBPPTJLAOWZDX-UHFFFAOYSA-N 2 2 342.382 1.062 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)CC[N@@H+]1C ZINC000828773137 594500555 /nfs/dbraw/zinc/50/05/55/594500555.db2.gz AQVPGLQBTBKWFS-CYBMUJFWSA-N 2 2 326.444 1.932 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)CC[N@H+]1C ZINC000828773137 594500557 /nfs/dbraw/zinc/50/05/57/594500557.db2.gz AQVPGLQBTBKWFS-CYBMUJFWSA-N 2 2 326.444 1.932 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC[NH+]1C ZINC000828773137 594500559 /nfs/dbraw/zinc/50/05/59/594500559.db2.gz AQVPGLQBTBKWFS-CYBMUJFWSA-N 2 2 326.444 1.932 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC[NH+]1C ZINC000828773137 594500561 /nfs/dbraw/zinc/50/05/61/594500561.db2.gz AQVPGLQBTBKWFS-CYBMUJFWSA-N 2 2 326.444 1.932 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000826562752 594526897 /nfs/dbraw/zinc/52/68/97/594526897.db2.gz BLPYAIBKVUHZOA-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000826562752 594526898 /nfs/dbraw/zinc/52/68/98/594526898.db2.gz BLPYAIBKVUHZOA-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC000826562752 594526899 /nfs/dbraw/zinc/52/68/99/594526899.db2.gz BLPYAIBKVUHZOA-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC000826562752 594526900 /nfs/dbraw/zinc/52/69/00/594526900.db2.gz BLPYAIBKVUHZOA-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000826588710 594533501 /nfs/dbraw/zinc/53/35/01/594533501.db2.gz AKVCTXJMJSRDON-RTBURBONSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000826588710 594533502 /nfs/dbraw/zinc/53/35/02/594533502.db2.gz AKVCTXJMJSRDON-RTBURBONSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1 ZINC000826588710 594533505 /nfs/dbraw/zinc/53/35/05/594533505.db2.gz AKVCTXJMJSRDON-RTBURBONSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1 ZINC000826588710 594533506 /nfs/dbraw/zinc/53/35/06/594533506.db2.gz AKVCTXJMJSRDON-RTBURBONSA-N 2 2 345.487 1.654 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@H](C)C[C@H](C)[NH3+])c1[nH+]ccn1C ZINC000831094333 594555252 /nfs/dbraw/zinc/55/52/52/594555252.db2.gz KMVGHCLSFKYIAL-ZENOOKHLSA-N 2 2 345.447 1.943 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)Nc2cc3n(n2)CC[N@H+](C)C3)cc1 ZINC000829405368 594608711 /nfs/dbraw/zinc/60/87/11/594608711.db2.gz CPYYXRAXXCVMET-UHFFFAOYSA-N 2 2 327.432 1.685 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)cc1 ZINC000829405368 594608713 /nfs/dbraw/zinc/60/87/13/594608713.db2.gz CPYYXRAXXCVMET-UHFFFAOYSA-N 2 2 327.432 1.685 20 0 EDADLP CO[C@]1(C)C[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1(C)C ZINC000831344337 594611287 /nfs/dbraw/zinc/61/12/87/594611287.db2.gz QPZBGTXMJNDRIK-QFBILLFUSA-N 2 2 349.475 1.717 20 0 EDADLP C[C@H]1CN(c2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2)CCO1 ZINC000841122966 594855011 /nfs/dbraw/zinc/85/50/11/594855011.db2.gz WGLOUFBQTOMDDZ-YOEHRIQHSA-N 2 2 347.463 1.018 20 0 EDADLP C[C@H]1CN(c2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2)CCO1 ZINC000841122966 594855013 /nfs/dbraw/zinc/85/50/13/594855013.db2.gz WGLOUFBQTOMDDZ-YOEHRIQHSA-N 2 2 347.463 1.018 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000841667867 594932879 /nfs/dbraw/zinc/93/28/79/594932879.db2.gz GPBRSKNTSDDNBK-CZUORRHYSA-N 2 2 343.431 1.569 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1[nH+]ccn1C ZINC000841668305 594932912 /nfs/dbraw/zinc/93/29/12/594932912.db2.gz IACVSAGTJZSRKD-ZBFHGGJFSA-N 2 2 343.431 1.555 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000843356135 595085016 /nfs/dbraw/zinc/08/50/16/595085016.db2.gz RJFBFRLIJIWUIU-IBGZPJMESA-N 2 2 346.475 1.393 20 0 EDADLP CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C1CC[NH2+]CC1 ZINC000843360663 595087071 /nfs/dbraw/zinc/08/70/71/595087071.db2.gz HMINZPIIBGCFAH-UHFFFAOYSA-N 2 2 329.466 1.494 20 0 EDADLP CCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)o1)C1CC[NH2+]CC1 ZINC000843360663 595087077 /nfs/dbraw/zinc/08/70/77/595087077.db2.gz HMINZPIIBGCFAH-UHFFFAOYSA-N 2 2 329.466 1.494 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000843362870 595087848 /nfs/dbraw/zinc/08/78/48/595087848.db2.gz IPPJCXXDPSFPED-FUNVUKJBSA-N 2 2 327.450 1.245 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000843362870 595087851 /nfs/dbraw/zinc/08/78/51/595087851.db2.gz IPPJCXXDPSFPED-FUNVUKJBSA-N 2 2 327.450 1.245 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000837423517 595107432 /nfs/dbraw/zinc/10/74/32/595107432.db2.gz HERXVIDDXGUUFH-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000837423517 595107436 /nfs/dbraw/zinc/10/74/36/595107436.db2.gz HERXVIDDXGUUFH-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000846306529 595202325 /nfs/dbraw/zinc/20/23/25/595202325.db2.gz JQYVNQYDATWTDJ-UHFFFAOYSA-N 2 2 335.452 1.688 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000867338516 595232091 /nfs/dbraw/zinc/23/20/91/595232091.db2.gz IUJGAEGEQOXQNU-DUXPYHPUSA-N 2 2 346.475 1.790 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](O)c3cnn(C)c3)c2cc1C ZINC000843094491 595286492 /nfs/dbraw/zinc/28/64/92/595286492.db2.gz UKIRAWJFHJQJKH-CRAIPNDOSA-N 2 2 343.431 1.071 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000846681471 595300662 /nfs/dbraw/zinc/30/06/62/595300662.db2.gz IOHHKMUTTZEDQU-SFHVURJKSA-N 3 2 347.507 1.435 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000844223329 595308237 /nfs/dbraw/zinc/30/82/37/595308237.db2.gz YKSFCVDDLCMLJA-LJQANCHMSA-N 2 2 328.460 1.911 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000844223329 595308240 /nfs/dbraw/zinc/30/82/40/595308240.db2.gz YKSFCVDDLCMLJA-LJQANCHMSA-N 2 2 328.460 1.911 20 0 EDADLP CC(C)c1cnc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000844226522 595309827 /nfs/dbraw/zinc/30/98/27/595309827.db2.gz MOQKHZICEXWHBE-HUUCEWRRSA-N 2 2 347.463 1.518 20 0 EDADLP CC(C)c1cnc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000844226522 595309830 /nfs/dbraw/zinc/30/98/30/595309830.db2.gz MOQKHZICEXWHBE-HUUCEWRRSA-N 2 2 347.463 1.518 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000846848210 595326038 /nfs/dbraw/zinc/32/60/38/595326038.db2.gz AEAQVKCISCGNSS-PMACEKPBSA-N 2 2 349.519 1.835 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000846848210 595326041 /nfs/dbraw/zinc/32/60/41/595326041.db2.gz AEAQVKCISCGNSS-PMACEKPBSA-N 2 2 349.519 1.835 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000846848210 595326044 /nfs/dbraw/zinc/32/60/44/595326044.db2.gz AEAQVKCISCGNSS-PMACEKPBSA-N 2 2 349.519 1.835 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000846848210 595326048 /nfs/dbraw/zinc/32/60/48/595326048.db2.gz AEAQVKCISCGNSS-PMACEKPBSA-N 2 2 349.519 1.835 20 0 EDADLP OCC1([NH2+]CC2CC2)CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000844335275 595327112 /nfs/dbraw/zinc/32/71/12/595327112.db2.gz OZIWGXKMONJEEU-UHFFFAOYSA-N 2 2 341.459 1.594 20 0 EDADLP CC(C)[NH2+]C1(CO)CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000846941652 595340366 /nfs/dbraw/zinc/34/03/66/595340366.db2.gz XETKIWHZBMWLTL-UHFFFAOYSA-N 2 2 329.448 1.592 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cn1cc(-c2ccncn2)cn1 ZINC000848482529 595391365 /nfs/dbraw/zinc/39/13/65/595391365.db2.gz OIBWDJKJCHCESF-NXHRZFHOSA-N 2 2 342.447 1.481 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cn1cc(-c2ccncn2)cn1 ZINC000848482529 595391366 /nfs/dbraw/zinc/39/13/66/595391366.db2.gz OIBWDJKJCHCESF-NXHRZFHOSA-N 2 2 342.447 1.481 20 0 EDADLP COCC[N@H+](C)CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849073689 595478189 /nfs/dbraw/zinc/47/81/89/595478189.db2.gz WXORUXBAUNWTNX-UHFFFAOYSA-N 3 2 347.507 1.343 20 0 EDADLP COCC[N@@H+](C)CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849073689 595478190 /nfs/dbraw/zinc/47/81/90/595478190.db2.gz WXORUXBAUNWTNX-UHFFFAOYSA-N 3 2 347.507 1.343 20 0 EDADLP Cn1c[nH+]c(CCNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000849116187 595484400 /nfs/dbraw/zinc/48/44/00/595484400.db2.gz KSBIZIXZAVZXPU-UHFFFAOYSA-N 2 2 346.866 1.963 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000845502514 595508211 /nfs/dbraw/zinc/50/82/11/595508211.db2.gz LTYRWOPIEMQLQW-QGZVFWFLSA-N 2 2 346.475 1.522 20 0 EDADLP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000849533564 595559417 /nfs/dbraw/zinc/55/94/17/595559417.db2.gz VYWJCZVIZISSDV-JKSUJKDBSA-N 2 2 338.415 1.742 20 0 EDADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000849533564 595559421 /nfs/dbraw/zinc/55/94/21/595559421.db2.gz VYWJCZVIZISSDV-JKSUJKDBSA-N 2 2 338.415 1.742 20 0 EDADLP [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)=NO1 ZINC000852857714 595579161 /nfs/dbraw/zinc/57/91/61/595579161.db2.gz CYORJMFBSIWNQF-AWEZNQCLSA-N 2 2 331.420 1.182 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2=NO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852859553 595581143 /nfs/dbraw/zinc/58/11/43/595581143.db2.gz WWKKNPLBGHQFMP-GUTXKFCHSA-N 2 2 346.431 1.338 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2=NO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000852859553 595581144 /nfs/dbraw/zinc/58/11/44/595581144.db2.gz WWKKNPLBGHQFMP-GUTXKFCHSA-N 2 2 346.431 1.338 20 0 EDADLP Cc1nn(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1[C@H]1COCC[N@H+]1C ZINC000852962438 595631577 /nfs/dbraw/zinc/63/15/77/595631577.db2.gz GDGNGWWSLSDTPX-IXDOHACOSA-N 2 2 334.464 1.366 20 0 EDADLP Cc1nn(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000852962438 595631581 /nfs/dbraw/zinc/63/15/81/595631581.db2.gz GDGNGWWSLSDTPX-IXDOHACOSA-N 2 2 334.464 1.366 20 0 EDADLP Cc1nn(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1[C@H]1COCC[NH+]1C ZINC000852962438 595631583 /nfs/dbraw/zinc/63/15/83/595631583.db2.gz GDGNGWWSLSDTPX-IXDOHACOSA-N 2 2 334.464 1.366 20 0 EDADLP Cc1nn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)c1[C@H]1COCC[NH+]1C ZINC000852962438 595631586 /nfs/dbraw/zinc/63/15/86/595631586.db2.gz GDGNGWWSLSDTPX-IXDOHACOSA-N 2 2 334.464 1.366 20 0 EDADLP Fc1cccc(Cc2nnc3n2CC[N@@H+](CCn2cc[nH+]c2)C3)c1F ZINC000857958716 595667741 /nfs/dbraw/zinc/66/77/41/595667741.db2.gz IXOSEKSEKWVZRU-UHFFFAOYSA-N 2 2 344.369 1.859 20 0 EDADLP Fc1cccc(Cc2nnc3n2CC[N@H+](CCn2cc[nH+]c2)C3)c1F ZINC000857958716 595667743 /nfs/dbraw/zinc/66/77/43/595667743.db2.gz IXOSEKSEKWVZRU-UHFFFAOYSA-N 2 2 344.369 1.859 20 0 EDADLP CN(C)c1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(Cl)n1 ZINC000855415397 595705681 /nfs/dbraw/zinc/70/56/81/595705681.db2.gz XIEUSJFGJPNOPN-UHFFFAOYSA-N 2 2 341.887 1.414 20 0 EDADLP CN(C)c1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(Cl)n1 ZINC000855415397 595705684 /nfs/dbraw/zinc/70/56/84/595705684.db2.gz XIEUSJFGJPNOPN-UHFFFAOYSA-N 2 2 341.887 1.414 20 0 EDADLP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H]1CC[N@H+](CC)C1 ZINC000853334138 595737673 /nfs/dbraw/zinc/73/76/73/595737673.db2.gz QSZICYZNDLNXPB-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](CC)C1 ZINC000853334138 595737677 /nfs/dbraw/zinc/73/76/77/595737677.db2.gz QSZICYZNDLNXPB-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP O=C1O[C@]2(CN1C[NH+]1CCC(c3ccon3)CC1)C[NH+]1CCC2CC1 ZINC000853590111 595818575 /nfs/dbraw/zinc/81/85/75/595818575.db2.gz QRXQMIDFJXHYFH-SFHVURJKSA-N 2 2 346.431 1.728 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000853606455 595828609 /nfs/dbraw/zinc/82/86/09/595828609.db2.gz LUMMDLZQUNFQCS-OAHLLOKOSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000853606455 595828612 /nfs/dbraw/zinc/82/86/12/595828612.db2.gz LUMMDLZQUNFQCS-OAHLLOKOSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1CC[N@H+](CCn2cnc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000851859035 595951294 /nfs/dbraw/zinc/95/12/94/595951294.db2.gz XVMNCEYIIBENID-VXGBXAGGSA-N 2 2 339.241 1.820 20 0 EDADLP C[C@@H]1CC[N@@H+](CCn2cnc(Br)n2)C[C@H]1n1cc[nH+]c1 ZINC000851859035 595951295 /nfs/dbraw/zinc/95/12/95/595951295.db2.gz XVMNCEYIIBENID-VXGBXAGGSA-N 2 2 339.241 1.820 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000854225189 596007405 /nfs/dbraw/zinc/00/74/05/596007405.db2.gz YMYHAKKQQGGSTN-VQHPVUNQSA-N 2 2 335.423 1.154 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856540897 596014984 /nfs/dbraw/zinc/01/49/84/596014984.db2.gz OCQXFQVOJXJVTA-FGTMMUONSA-N 2 2 330.476 1.711 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856540897 596014987 /nfs/dbraw/zinc/01/49/87/596014987.db2.gz OCQXFQVOJXJVTA-FGTMMUONSA-N 2 2 330.476 1.711 20 0 EDADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856540897 596014989 /nfs/dbraw/zinc/01/49/89/596014989.db2.gz OCQXFQVOJXJVTA-FGTMMUONSA-N 2 2 330.476 1.711 20 0 EDADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856540897 596014991 /nfs/dbraw/zinc/01/49/91/596014991.db2.gz OCQXFQVOJXJVTA-FGTMMUONSA-N 2 2 330.476 1.711 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000852047846 596022697 /nfs/dbraw/zinc/02/26/97/596022697.db2.gz IXJSOYKPLCEMKJ-CVEARBPZSA-N 2 2 329.485 1.678 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000852047846 596022702 /nfs/dbraw/zinc/02/27/02/596022702.db2.gz IXJSOYKPLCEMKJ-CVEARBPZSA-N 2 2 329.485 1.678 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000852047846 596022707 /nfs/dbraw/zinc/02/27/07/596022707.db2.gz IXJSOYKPLCEMKJ-CVEARBPZSA-N 2 2 329.485 1.678 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000852047846 596022712 /nfs/dbraw/zinc/02/27/12/596022712.db2.gz IXJSOYKPLCEMKJ-CVEARBPZSA-N 2 2 329.485 1.678 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852077656 596034831 /nfs/dbraw/zinc/03/48/31/596034831.db2.gz AAJJAHVYJULYQK-MAUKXSAKSA-N 2 2 339.480 1.650 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852077656 596034834 /nfs/dbraw/zinc/03/48/34/596034834.db2.gz AAJJAHVYJULYQK-MAUKXSAKSA-N 2 2 339.480 1.650 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852077656 596034837 /nfs/dbraw/zinc/03/48/37/596034837.db2.gz AAJJAHVYJULYQK-MAUKXSAKSA-N 2 2 339.480 1.650 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 ZINC000852077656 596034840 /nfs/dbraw/zinc/03/48/40/596034840.db2.gz AAJJAHVYJULYQK-MAUKXSAKSA-N 2 2 339.480 1.650 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c21)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861635739 596053717 /nfs/dbraw/zinc/05/37/17/596053717.db2.gz SZOKDOJZLBFAHH-GJZGRUSLSA-N 2 2 333.436 1.128 20 0 EDADLP CCNc1nc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000857307973 596210192 /nfs/dbraw/zinc/21/01/92/596210192.db2.gz FHVCOEGSHQMOGY-UHFFFAOYSA-N 2 2 327.498 1.497 20 0 EDADLP CCNc1nc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000857307973 596210193 /nfs/dbraw/zinc/21/01/93/596210193.db2.gz FHVCOEGSHQMOGY-UHFFFAOYSA-N 2 2 327.498 1.497 20 0 EDADLP C[C@H]1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC[N@@H+](C2CC2)C1 ZINC000868607069 596244991 /nfs/dbraw/zinc/24/49/91/596244991.db2.gz LOFKHCDHZSXSNC-CYBMUJFWSA-N 2 2 330.407 1.959 20 0 EDADLP C[C@H]1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC[N@H+](C2CC2)C1 ZINC000868607069 596244995 /nfs/dbraw/zinc/24/49/95/596244995.db2.gz LOFKHCDHZSXSNC-CYBMUJFWSA-N 2 2 330.407 1.959 20 0 EDADLP COc1ccc2c(c1)CC[C@@H]2C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000862172110 596259776 /nfs/dbraw/zinc/25/97/76/596259776.db2.gz PVFWRJDZNPTCTL-SFHVURJKSA-N 2 2 333.476 1.725 20 0 EDADLP COc1ccc2c(c1)CC[C@@H]2C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000862172110 596259777 /nfs/dbraw/zinc/25/97/77/596259777.db2.gz PVFWRJDZNPTCTL-SFHVURJKSA-N 2 2 333.476 1.725 20 0 EDADLP COc1cc(C[NH+](C)C)ccc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868817868 596316971 /nfs/dbraw/zinc/31/69/71/596316971.db2.gz NQSRCTSQINXWKO-SNAWJCMRSA-N 2 2 333.432 1.584 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000870855532 596378582 /nfs/dbraw/zinc/37/85/82/596378582.db2.gz UZDQMTVAYOVYHV-FRQCXROJSA-N 2 2 329.444 1.337 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870861414 596380644 /nfs/dbraw/zinc/38/06/44/596380644.db2.gz VKTMXWIKUPVGCW-LXZJYRNTSA-N 2 2 343.471 1.612 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870957736 596417832 /nfs/dbraw/zinc/41/78/32/596417832.db2.gz VKMMRXCRDNRFMK-CEXWTWQISA-N 2 2 344.503 1.436 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870957736 596417834 /nfs/dbraw/zinc/41/78/34/596417834.db2.gz VKMMRXCRDNRFMK-CEXWTWQISA-N 2 2 344.503 1.436 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000870977231 596423920 /nfs/dbraw/zinc/42/39/20/596423920.db2.gz CIEMSQJNXNNUKV-WMZOPIPTSA-N 2 2 333.476 1.700 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000870977231 596423921 /nfs/dbraw/zinc/42/39/21/596423921.db2.gz CIEMSQJNXNNUKV-WMZOPIPTSA-N 2 2 333.476 1.700 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC000870978776 596425821 /nfs/dbraw/zinc/42/58/21/596425821.db2.gz BOTMZWSHQQPUHS-SNVBAGLBSA-N 2 2 347.385 1.133 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864956888 596427904 /nfs/dbraw/zinc/42/79/04/596427904.db2.gz PFENFAINOBXXED-AHKGRUIUSA-N 2 2 331.460 1.164 20 0 EDADLP C[C@@H](C(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000870980952 596428585 /nfs/dbraw/zinc/42/85/85/596428585.db2.gz ALQHAJMZHMRRQY-VQIMIIECSA-N 2 2 344.503 1.561 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)cc2C1 ZINC000871010840 596438366 /nfs/dbraw/zinc/43/83/66/596438366.db2.gz JSHUIMOESSIVNR-UHFFFAOYSA-N 2 2 325.416 1.269 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)cc2C1 ZINC000871010840 596438367 /nfs/dbraw/zinc/43/83/67/596438367.db2.gz JSHUIMOESSIVNR-UHFFFAOYSA-N 2 2 325.416 1.269 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000865070525 596463246 /nfs/dbraw/zinc/46/32/46/596463246.db2.gz UDJGIDLRNLHTPI-DAXSKMNVSA-N 2 2 333.432 1.454 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)/C=C/C[NH+]3CCOCC3)C2)cc1 ZINC000871188979 596493875 /nfs/dbraw/zinc/49/38/75/596493875.db2.gz WKFDBAAGCGMHIS-PHXNAMCJSA-N 2 2 343.471 1.574 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)/C=C/C[NH+]3CCOCC3)C2)cc1 ZINC000871188979 596493879 /nfs/dbraw/zinc/49/38/79/596493879.db2.gz WKFDBAAGCGMHIS-PHXNAMCJSA-N 2 2 343.471 1.574 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000871281095 596520785 /nfs/dbraw/zinc/52/07/85/596520785.db2.gz QMIILJKFBNCTGX-QGZVFWFLSA-N 2 2 328.416 1.209 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000871281095 596520787 /nfs/dbraw/zinc/52/07/87/596520787.db2.gz QMIILJKFBNCTGX-QGZVFWFLSA-N 2 2 328.416 1.209 20 0 EDADLP CC[S@](=O)CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865457828 596581020 /nfs/dbraw/zinc/58/10/20/596581020.db2.gz TVQCMZIYGMJKAB-QHCPKHFHSA-N 2 2 340.489 1.256 20 0 EDADLP CC(C)(O)C[NH+]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865499668 596592097 /nfs/dbraw/zinc/59/20/97/596592097.db2.gz MMDICWFTFANENU-UHFFFAOYSA-N 2 2 341.459 1.982 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CCCO1 ZINC000865543985 596606625 /nfs/dbraw/zinc/60/66/25/596606625.db2.gz GCGJXMVAARYZPA-WBVHZDCISA-N 2 2 337.468 1.048 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CCCO1 ZINC000865543985 596606626 /nfs/dbraw/zinc/60/66/26/596606626.db2.gz GCGJXMVAARYZPA-WBVHZDCISA-N 2 2 337.468 1.048 20 0 EDADLP NC(=O)C[N@@H+]1CCc2ccc(NCc3cn(C4CC4)c[nH+]3)cc2C1 ZINC000865546638 596607275 /nfs/dbraw/zinc/60/72/75/596607275.db2.gz BJEMHVFJUXLZEG-UHFFFAOYSA-N 2 2 325.416 1.674 20 0 EDADLP NC(=O)C[N@H+]1CCc2ccc(NCc3cn(C4CC4)c[nH+]3)cc2C1 ZINC000865546638 596607276 /nfs/dbraw/zinc/60/72/76/596607276.db2.gz BJEMHVFJUXLZEG-UHFFFAOYSA-N 2 2 325.416 1.674 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1)C[NH+]1CCCC1 ZINC000863557896 596618304 /nfs/dbraw/zinc/61/83/04/596618304.db2.gz SIGALBLRJFWVEK-SJORKVTESA-N 2 2 345.443 1.161 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2cccnc2Br)CC1 ZINC000865612557 596626714 /nfs/dbraw/zinc/62/67/14/596626714.db2.gz NFMPCSSVCONMLM-UHFFFAOYSA-N 2 2 328.254 1.781 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)ccc1-n1cncn1 ZINC000865660099 596641114 /nfs/dbraw/zinc/64/11/14/596641114.db2.gz WKRLJHXLQZUQQW-INIZCTEOSA-N 2 2 329.448 1.511 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)ccc1-n1cncn1 ZINC000865660099 596641116 /nfs/dbraw/zinc/64/11/16/596641116.db2.gz WKRLJHXLQZUQQW-INIZCTEOSA-N 2 2 329.448 1.511 20 0 EDADLP CC[NH2+][C@@H](C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000863667846 596651230 /nfs/dbraw/zinc/65/12/30/596651230.db2.gz QBWUPMFNWNWXCJ-LBPRGKRZSA-N 2 2 344.419 1.190 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3[C@@H]3CCCO3)C2)CC1 ZINC000865749551 596669305 /nfs/dbraw/zinc/66/93/05/596669305.db2.gz FEQKWPUEPARJIW-BBRMVZONSA-N 2 2 347.463 1.160 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3[C@@H]3CCCO3)C2)CC1 ZINC000865749551 596669307 /nfs/dbraw/zinc/66/93/07/596669307.db2.gz FEQKWPUEPARJIW-BBRMVZONSA-N 2 2 347.463 1.160 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@]23COC(=O)N2CCOC3)C1 ZINC000865770392 596676720 /nfs/dbraw/zinc/67/67/20/596676720.db2.gz RHVPSMGZDXAXMX-AYBZRNKSSA-N 2 2 345.443 1.633 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@]23COC(=O)N2CCOC3)C1 ZINC000865770392 596676722 /nfs/dbraw/zinc/67/67/22/596676722.db2.gz RHVPSMGZDXAXMX-AYBZRNKSSA-N 2 2 345.443 1.633 20 0 EDADLP CC1CC[NH+](CCNC(=O)N2CCN(C)c3[nH+]cccc3C2)CC1 ZINC000868098217 596684549 /nfs/dbraw/zinc/68/45/49/596684549.db2.gz VQXMWPMJFHNIRZ-UHFFFAOYSA-N 2 2 331.464 1.775 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1C[NH+](C)C ZINC000870022087 596712679 /nfs/dbraw/zinc/71/26/79/596712679.db2.gz OTLJURFJTCATNJ-HZPDHXFCSA-N 3 2 329.448 1.146 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)NCC[C@@H]([NH3+])Cc3ccccc3)cc2C1 ZINC000868205418 596722826 /nfs/dbraw/zinc/72/28/26/596722826.db2.gz LDSBRMPLNPZGAL-OAHLLOKOSA-N 2 2 342.447 1.410 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)NCC[C@@H]([NH3+])Cc3ccccc3)cc2C1 ZINC000868205418 596722828 /nfs/dbraw/zinc/72/28/28/596722828.db2.gz LDSBRMPLNPZGAL-OAHLLOKOSA-N 2 2 342.447 1.410 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@@H](O)C[C@@](C)(O)C3CC3)CC2)S1 ZINC000863968895 596737335 /nfs/dbraw/zinc/73/73/35/596737335.db2.gz QEVVZHKFMBQMNQ-IVMMDQJWSA-N 2 2 327.494 1.007 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870085485 596742692 /nfs/dbraw/zinc/74/26/92/596742692.db2.gz MBJUURXLULNBJO-HOCLYGCPSA-N 2 2 326.400 1.324 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870085580 596742831 /nfs/dbraw/zinc/74/28/31/596742831.db2.gz NPSPCAKVBOSLAC-YOEHRIQHSA-N 2 2 326.400 1.324 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@@H]3CCSC3)C2)CC1 ZINC000868288058 596768331 /nfs/dbraw/zinc/76/83/31/596768331.db2.gz WDCPRUZJAMNFCW-CABCVRRESA-N 2 2 340.537 1.597 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@@H]3CCSC3)C2)CC1 ZINC000868288058 596768333 /nfs/dbraw/zinc/76/83/33/596768333.db2.gz WDCPRUZJAMNFCW-CABCVRRESA-N 2 2 340.537 1.597 20 0 EDADLP CCCn1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000122109316 596784635 /nfs/dbraw/zinc/78/46/35/596784635.db2.gz AJNOBKHURSMHAH-UHFFFAOYSA-N 2 2 348.495 1.973 20 0 EDADLP CN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)Cc2ccc[nH+]c21 ZINC000868354257 596797451 /nfs/dbraw/zinc/79/74/51/596797451.db2.gz ISWCAQKRPUBPEM-AWEZNQCLSA-N 2 2 329.448 1.527 20 0 EDADLP CN1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)Cc2ccc[nH+]c21 ZINC000868354257 596797452 /nfs/dbraw/zinc/79/74/52/596797452.db2.gz ISWCAQKRPUBPEM-AWEZNQCLSA-N 2 2 329.448 1.527 20 0 EDADLP Cc1ccc(S(=O)(=O)C2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000872146373 596810507 /nfs/dbraw/zinc/81/05/07/596810507.db2.gz MLHHLDXECUOOIU-UHFFFAOYSA-N 2 2 326.462 1.208 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868396443 596819662 /nfs/dbraw/zinc/81/96/62/596819662.db2.gz LQLVWDITLMGJFZ-CJNGLKHVSA-N 2 2 329.448 1.526 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868396443 596819665 /nfs/dbraw/zinc/81/96/65/596819665.db2.gz LQLVWDITLMGJFZ-CJNGLKHVSA-N 2 2 329.448 1.526 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](COC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000870283498 596823182 /nfs/dbraw/zinc/82/31/82/596823182.db2.gz KIHIXHNRSYYWDT-HNNXBMFYSA-N 2 2 335.379 1.668 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](COC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000870283498 596823187 /nfs/dbraw/zinc/82/31/87/596823187.db2.gz KIHIXHNRSYYWDT-HNNXBMFYSA-N 2 2 335.379 1.668 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000872189911 596827454 /nfs/dbraw/zinc/82/74/54/596827454.db2.gz PLCFYLXNPSSVJR-UHFFFAOYSA-N 2 2 335.452 1.093 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000872189911 596827458 /nfs/dbraw/zinc/82/74/58/596827458.db2.gz PLCFYLXNPSSVJR-UHFFFAOYSA-N 2 2 335.452 1.093 20 0 EDADLP C[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000866208379 596827520 /nfs/dbraw/zinc/82/75/20/596827520.db2.gz IOCDGQIDXRSSBW-YOEHRIQHSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000866208379 596827523 /nfs/dbraw/zinc/82/75/23/596827523.db2.gz IOCDGQIDXRSSBW-YOEHRIQHSA-N 2 2 328.416 1.566 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872225545 596844070 /nfs/dbraw/zinc/84/40/70/596844070.db2.gz CNPCNPRSSIXMQC-UXHICEINSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000872225545 596844072 /nfs/dbraw/zinc/84/40/72/596844072.db2.gz CNPCNPRSSIXMQC-UXHICEINSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000872225545 596844074 /nfs/dbraw/zinc/84/40/74/596844074.db2.gz CNPCNPRSSIXMQC-UXHICEINSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000872225545 596844076 /nfs/dbraw/zinc/84/40/76/596844076.db2.gz CNPCNPRSSIXMQC-UXHICEINSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1CN1CCO[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872225545 596844078 /nfs/dbraw/zinc/84/40/78/596844078.db2.gz CNPCNPRSSIXMQC-UXHICEINSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccccc1CN1CCO[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000872225545 596844080 /nfs/dbraw/zinc/84/40/80/596844080.db2.gz CNPCNPRSSIXMQC-UXHICEINSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000124772296 596897602 /nfs/dbraw/zinc/89/76/02/596897602.db2.gz BQYUUNDCRRMUSY-HZPDHXFCSA-N 2 2 349.479 1.787 20 0 EDADLP Cc1nc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000124772296 596897605 /nfs/dbraw/zinc/89/76/05/596897605.db2.gz BQYUUNDCRRMUSY-HZPDHXFCSA-N 2 2 349.479 1.787 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)NC[C@H](C)[NH+](C)C)Cc3ccc[nH+]c3N2C1 ZINC000875644003 596931550 /nfs/dbraw/zinc/93/15/50/596931550.db2.gz APAUOOYSRKSZIW-NUEKZKHPSA-N 2 2 347.463 1.151 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000872779993 597064938 /nfs/dbraw/zinc/06/49/38/597064938.db2.gz UNQCPBXXLNICQC-LSDHHAIUSA-N 2 2 331.464 1.501 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000872779993 597064940 /nfs/dbraw/zinc/06/49/40/597064940.db2.gz UNQCPBXXLNICQC-LSDHHAIUSA-N 2 2 331.464 1.501 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000874702213 597145624 /nfs/dbraw/zinc/14/56/24/597145624.db2.gz DIWUGGUNHFQMGJ-HNNXBMFYSA-N 2 2 337.464 1.962 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000874702213 597145627 /nfs/dbraw/zinc/14/56/27/597145627.db2.gz DIWUGGUNHFQMGJ-HNNXBMFYSA-N 2 2 337.464 1.962 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000874829586 597188842 /nfs/dbraw/zinc/18/88/42/597188842.db2.gz MPHLKQMCBVJATB-MSOLQXFVSA-N 2 2 344.459 1.223 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000874829586 597188843 /nfs/dbraw/zinc/18/88/43/597188843.db2.gz MPHLKQMCBVJATB-MSOLQXFVSA-N 2 2 344.459 1.223 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876518329 597227762 /nfs/dbraw/zinc/22/77/62/597227762.db2.gz DWUJCADJCHAWQZ-UHFFFAOYSA-N 2 2 342.399 1.808 20 0 EDADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000876524452 597229920 /nfs/dbraw/zinc/22/99/20/597229920.db2.gz QSDAVYJANOSYQC-DDKKJVIOSA-N 2 2 331.460 1.814 20 0 EDADLP CC[C@H](Nc1cccnc1Cl)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000876541631 597233446 /nfs/dbraw/zinc/23/34/46/597233446.db2.gz CSLLGISJVJGNCP-RYUDHWBXSA-N 2 2 325.844 1.027 20 0 EDADLP CC[C@H](Nc1cccnc1Cl)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000876541631 597233447 /nfs/dbraw/zinc/23/34/47/597233447.db2.gz CSLLGISJVJGNCP-RYUDHWBXSA-N 2 2 325.844 1.027 20 0 EDADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000873227756 597233941 /nfs/dbraw/zinc/23/39/41/597233941.db2.gz NEOWAMOYQLWSDD-BZUAXINKSA-N 2 2 325.497 1.506 20 0 EDADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000873227756 597233944 /nfs/dbraw/zinc/23/39/44/597233944.db2.gz NEOWAMOYQLWSDD-BZUAXINKSA-N 2 2 325.497 1.506 20 0 EDADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000873275893 597245869 /nfs/dbraw/zinc/24/58/69/597245869.db2.gz LDLNVMSINDVJHS-DTWKUNHWSA-N 2 2 334.205 1.384 20 0 EDADLP c1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nnn1C[C@H]1CCCO1 ZINC000876576587 597247089 /nfs/dbraw/zinc/24/70/89/597247089.db2.gz MHCGUPGECFUBDK-GOSISDBHSA-N 2 2 349.479 1.001 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875112401 597287401 /nfs/dbraw/zinc/28/74/01/597287401.db2.gz MAXVKCOHTMPOON-YOEHRIQHSA-N 2 2 346.475 1.136 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875112401 597287402 /nfs/dbraw/zinc/28/74/02/597287402.db2.gz MAXVKCOHTMPOON-YOEHRIQHSA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000875130557 597294382 /nfs/dbraw/zinc/29/43/82/597294382.db2.gz OOEIOJFYRFMWDS-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000875130557 597294385 /nfs/dbraw/zinc/29/43/85/597294385.db2.gz OOEIOJFYRFMWDS-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000876711407 597299033 /nfs/dbraw/zinc/29/90/33/597299033.db2.gz VUTFYEGSSMFILS-GFOMBABLSA-N 2 2 343.471 1.765 20 0 EDADLP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000876717966 597303100 /nfs/dbraw/zinc/30/31/00/597303100.db2.gz KCRNMMOEBSHNNQ-UHFFFAOYSA-N 2 2 334.489 1.839 20 0 EDADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000876750384 597321196 /nfs/dbraw/zinc/32/11/96/597321196.db2.gz SIGFZHSNRUIDER-WLMCBFPDSA-N 2 2 329.444 1.592 20 0 EDADLP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876894330 597374569 /nfs/dbraw/zinc/37/45/69/597374569.db2.gz UUTBWBFTAHKGDG-HUUCEWRRSA-N 2 2 349.385 1.332 20 0 EDADLP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876894330 597374573 /nfs/dbraw/zinc/37/45/73/597374573.db2.gz UUTBWBFTAHKGDG-HUUCEWRRSA-N 2 2 349.385 1.332 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000875407829 597416153 /nfs/dbraw/zinc/41/61/53/597416153.db2.gz OOORLUKZKSAZLH-JCYILVPMSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000875407829 597416157 /nfs/dbraw/zinc/41/61/57/597416157.db2.gz OOORLUKZKSAZLH-JCYILVPMSA-N 2 2 340.512 1.517 20 0 EDADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877202003 597460674 /nfs/dbraw/zinc/46/06/74/597460674.db2.gz VQOJMUNGNKBHON-JZIMQPMSSA-N 2 2 346.500 1.807 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)c1 ZINC000877248227 597478295 /nfs/dbraw/zinc/47/82/95/597478295.db2.gz IASCJMRRMAOVCA-TVFCKZIOSA-N 2 2 329.444 1.062 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)c1 ZINC000877248227 597478297 /nfs/dbraw/zinc/47/82/97/597478297.db2.gz IASCJMRRMAOVCA-TVFCKZIOSA-N 2 2 329.444 1.062 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000877247652 597478493 /nfs/dbraw/zinc/47/84/93/597478493.db2.gz SYUDYGRYYZQTHP-QGZVFWFLSA-N 2 2 339.443 1.265 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000877247652 597478494 /nfs/dbraw/zinc/47/84/94/597478494.db2.gz SYUDYGRYYZQTHP-QGZVFWFLSA-N 2 2 339.443 1.265 20 0 EDADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C1CC[NH+](CC(F)F)CC1 ZINC000877341257 597495957 /nfs/dbraw/zinc/49/59/57/597495957.db2.gz RMPPCHUUKARLSY-INIZCTEOSA-N 2 2 337.414 1.794 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878302428 597594009 /nfs/dbraw/zinc/59/40/09/597594009.db2.gz MXEUFISJKREYQZ-ZJUUUORDSA-N 2 2 341.209 1.694 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878302428 597594010 /nfs/dbraw/zinc/59/40/10/597594010.db2.gz MXEUFISJKREYQZ-ZJUUUORDSA-N 2 2 341.209 1.694 20 0 EDADLP Cc1ccc(CNC(=O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000879591237 597648058 /nfs/dbraw/zinc/64/80/58/597648058.db2.gz LDKOFFPXQVAPRW-UHFFFAOYSA-N 2 2 344.503 1.323 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)CC1 ZINC000879591420 597648408 /nfs/dbraw/zinc/64/84/08/597648408.db2.gz VYQRYEUNEKSPEE-UHFFFAOYSA-N 2 2 349.450 1.904 20 0 EDADLP COC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CCCOC1 ZINC000883187754 597681406 /nfs/dbraw/zinc/68/14/06/597681406.db2.gz VJKFJPWULSMXRQ-DOTOQJQBSA-N 2 2 328.497 1.907 20 0 EDADLP CN(C(=O)c1cncc2[nH]ccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167874 597838729 /nfs/dbraw/zinc/83/87/29/597838729.db2.gz YNOVVRVTLJYEJI-OAHLLOKOSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1cncc2[nH]ccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167874 597838731 /nfs/dbraw/zinc/83/87/31/597838731.db2.gz YNOVVRVTLJYEJI-OAHLLOKOSA-N 2 2 341.459 1.803 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131960 597849800 /nfs/dbraw/zinc/84/98/00/597849800.db2.gz CXLHKPOZOLHQNU-CVEARBPZSA-N 2 2 330.432 1.283 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131960 597849803 /nfs/dbraw/zinc/84/98/03/597849803.db2.gz CXLHKPOZOLHQNU-CVEARBPZSA-N 2 2 330.432 1.283 20 0 EDADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131960 597849805 /nfs/dbraw/zinc/84/98/05/597849805.db2.gz CXLHKPOZOLHQNU-CVEARBPZSA-N 2 2 330.432 1.283 20 0 EDADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131960 597849809 /nfs/dbraw/zinc/84/98/09/597849809.db2.gz CXLHKPOZOLHQNU-CVEARBPZSA-N 2 2 330.432 1.283 20 0 EDADLP Cn1cc(CCC[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cn1 ZINC000880250703 597882617 /nfs/dbraw/zinc/88/26/17/597882617.db2.gz TVRBPXBOZZCXCE-UHFFFAOYSA-N 2 2 333.480 1.159 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H]1C[NH+](C)C ZINC000879449635 597920951 /nfs/dbraw/zinc/92/09/51/597920951.db2.gz USWXXJAWAWROSF-HUUCEWRRSA-N 3 2 344.463 1.537 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880486403 597943184 /nfs/dbraw/zinc/94/31/84/597943184.db2.gz RLORWWCTFJMDMU-LJQANCHMSA-N 2 2 343.471 1.262 20 0 EDADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880486403 597943185 /nfs/dbraw/zinc/94/31/85/597943185.db2.gz RLORWWCTFJMDMU-LJQANCHMSA-N 2 2 343.471 1.262 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880486403 597943186 /nfs/dbraw/zinc/94/31/86/597943186.db2.gz RLORWWCTFJMDMU-LJQANCHMSA-N 2 2 343.471 1.262 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880486403 597943187 /nfs/dbraw/zinc/94/31/87/597943187.db2.gz RLORWWCTFJMDMU-LJQANCHMSA-N 2 2 343.471 1.262 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880567614 597965924 /nfs/dbraw/zinc/96/59/24/597965924.db2.gz LDAAKKHVHJZCQZ-INIZCTEOSA-N 2 2 343.431 1.696 20 0 EDADLP O[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CC1(O)CCOCC1 ZINC000880569726 597967265 /nfs/dbraw/zinc/96/72/65/597967265.db2.gz JERBOOKGCSBDDL-ROUUACIJSA-N 2 2 345.443 1.507 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CCO1 ZINC000884043150 597976431 /nfs/dbraw/zinc/97/64/31/597976431.db2.gz PGLGWEINVAEMPW-CXAGYDPISA-N 2 2 326.400 1.435 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N(CC(F)F)C3CCC3)C2)CC1 ZINC000884163750 598011636 /nfs/dbraw/zinc/01/16/36/598011636.db2.gz OVBNANWJYMZAAM-CYBMUJFWSA-N 2 2 344.450 1.984 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N(CC(F)F)C3CCC3)C2)CC1 ZINC000884163750 598011638 /nfs/dbraw/zinc/01/16/38/598011638.db2.gz OVBNANWJYMZAAM-CYBMUJFWSA-N 2 2 344.450 1.984 20 0 EDADLP CC(C)(CNC(=O)c1ncoc1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000884188885 598020012 /nfs/dbraw/zinc/02/00/12/598020012.db2.gz RLAVHRXLCAJCER-UHFFFAOYSA-N 2 2 328.416 1.700 20 0 EDADLP CC(C)(CNC(=O)c1ncoc1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000884188885 598020015 /nfs/dbraw/zinc/02/00/15/598020015.db2.gz RLAVHRXLCAJCER-UHFFFAOYSA-N 2 2 328.416 1.700 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[NH+]1CCOCC1 ZINC000914067282 695055802 /nfs/dbraw/zinc/05/58/02/695055802.db2.gz OFCARAZYDDDATD-WBVHZDCISA-N 2 2 349.479 1.094 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](CCC2CCOCC2)C1 ZINC001031033999 695239066 /nfs/dbraw/zinc/23/90/66/695239066.db2.gz DXBGZSPAFUOITB-UHFFFAOYSA-N 2 2 334.464 1.624 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939857697 699996828 /nfs/dbraw/zinc/99/68/28/699996828.db2.gz UHLBVKLPKUTKHP-PBHICJAKSA-N 2 2 328.416 1.012 20 0 EDADLP Cc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939855335 699993343 /nfs/dbraw/zinc/99/33/43/699993343.db2.gz DONQSMIHVVVQIJ-YOEHRIQHSA-N 2 2 330.407 1.967 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccns3)[C@@H]2C1 ZINC000992882227 695428797 /nfs/dbraw/zinc/42/87/97/695428797.db2.gz YUNMDBSYUOVDRG-NWANDNLSSA-N 2 2 345.472 1.826 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccns3)[C@H]2C1 ZINC000992882230 695428833 /nfs/dbraw/zinc/42/88/33/695428833.db2.gz YUNMDBSYUOVDRG-QEJZJMRPSA-N 2 2 345.472 1.826 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC001038095703 695441473 /nfs/dbraw/zinc/44/14/73/695441473.db2.gz MXVVQEJDKSDBGZ-ROUUACIJSA-N 2 2 344.459 1.430 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001038095703 695441474 /nfs/dbraw/zinc/44/14/74/695441474.db2.gz MXVVQEJDKSDBGZ-ROUUACIJSA-N 2 2 344.459 1.430 20 0 EDADLP CC(=O)Nc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001038095703 695441475 /nfs/dbraw/zinc/44/14/75/695441475.db2.gz MXVVQEJDKSDBGZ-ROUUACIJSA-N 2 2 344.459 1.430 20 0 EDADLP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001038095703 695441476 /nfs/dbraw/zinc/44/14/76/695441476.db2.gz MXVVQEJDKSDBGZ-ROUUACIJSA-N 2 2 344.459 1.430 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)cn1 ZINC000992923952 695456348 /nfs/dbraw/zinc/45/63/48/695456348.db2.gz JUEMXOQGMNANDS-GVDBMIGSSA-N 2 2 342.447 1.034 20 0 EDADLP O=C(NC1C[NH+](Cc2cccc3cccnc32)C1)C12CC[NH+](CC1)C2 ZINC001031264221 696076665 /nfs/dbraw/zinc/07/66/65/696076665.db2.gz MZGOQEISNJUVSJ-UHFFFAOYSA-N 2 2 336.439 1.631 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)n(C)n2)[C@H]1C ZINC000993611711 696258308 /nfs/dbraw/zinc/25/83/08/696258308.db2.gz HQRZVHDANHBMEY-DOTOQJQBSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)n(C)n2)[C@H]1C ZINC000993611711 696258310 /nfs/dbraw/zinc/25/83/10/696258310.db2.gz HQRZVHDANHBMEY-DOTOQJQBSA-N 2 2 344.463 1.403 20 0 EDADLP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000940008435 700110316 /nfs/dbraw/zinc/11/03/16/700110316.db2.gz NAKWTWZRGSDDOC-ZDUSSCGKSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000940008435 700110317 /nfs/dbraw/zinc/11/03/17/700110317.db2.gz NAKWTWZRGSDDOC-ZDUSSCGKSA-N 2 2 335.452 1.197 20 0 EDADLP Cc1nocc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994424171 696846201 /nfs/dbraw/zinc/84/62/01/696846201.db2.gz QCJMXXDAKKWAKL-BBRMVZONSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1nocc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994424171 696846205 /nfs/dbraw/zinc/84/62/05/696846205.db2.gz QCJMXXDAKKWAKL-BBRMVZONSA-N 2 2 331.420 1.657 20 0 EDADLP CCn1cc(CC[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)cn1 ZINC000994503063 696940471 /nfs/dbraw/zinc/94/04/71/696940471.db2.gz FJWHEMLQBHCIQI-DOTOQJQBSA-N 2 2 344.463 1.311 20 0 EDADLP CCn1cc(CC[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)cn1 ZINC000994503063 696940472 /nfs/dbraw/zinc/94/04/72/696940472.db2.gz FJWHEMLQBHCIQI-DOTOQJQBSA-N 2 2 344.463 1.311 20 0 EDADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001031415371 697066138 /nfs/dbraw/zinc/06/61/38/697066138.db2.gz UVMVWAWHVZTDQX-ZWKOTPCHSA-N 2 2 331.460 1.659 20 0 EDADLP CC[C@@H](c1ccccc1)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001031415371 697066139 /nfs/dbraw/zinc/06/61/39/697066139.db2.gz UVMVWAWHVZTDQX-ZWKOTPCHSA-N 2 2 331.460 1.659 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000918217962 697140522 /nfs/dbraw/zinc/14/05/22/697140522.db2.gz YNYWWQIWAIUGTH-OAHLLOKOSA-N 2 2 328.526 1.407 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCSCC1 ZINC000918217962 697140523 /nfs/dbraw/zinc/14/05/23/697140523.db2.gz YNYWWQIWAIUGTH-OAHLLOKOSA-N 2 2 328.526 1.407 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000919779637 697334285 /nfs/dbraw/zinc/33/42/85/697334285.db2.gz QUEPVJPIFUAUID-UHFFFAOYSA-N 2 2 328.420 1.423 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000919779637 697334286 /nfs/dbraw/zinc/33/42/86/697334286.db2.gz QUEPVJPIFUAUID-UHFFFAOYSA-N 2 2 328.420 1.423 20 0 EDADLP COc1cc2c(cc1OC)CC[NH+](C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000920208222 697407981 /nfs/dbraw/zinc/40/79/81/697407981.db2.gz CSJSGSLDICNBFX-KRWDZBQOSA-N 2 2 334.460 1.561 20 0 EDADLP C[NH+]1CCC(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000920306899 697418885 /nfs/dbraw/zinc/41/88/85/697418885.db2.gz ATDGDRRXRBAACH-UHFFFAOYSA-N 2 2 338.546 1.834 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NC[C@@H]3CC[N@@H+]3C)CC2)cc1 ZINC000920546875 697445434 /nfs/dbraw/zinc/44/54/34/697445434.db2.gz OUEHAXKBSFHIPZ-SFHVURJKSA-N 2 2 345.491 1.725 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NC[C@@H]3CC[N@H+]3C)CC2)cc1 ZINC000920546875 697445435 /nfs/dbraw/zinc/44/54/35/697445435.db2.gz OUEHAXKBSFHIPZ-SFHVURJKSA-N 2 2 345.491 1.725 20 0 EDADLP CC1(C)[NH2+]CC[C@@H]1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000925481330 697457147 /nfs/dbraw/zinc/45/71/47/697457147.db2.gz NCLZWKFMHPEZFI-SFHVURJKSA-N 2 2 333.476 1.628 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001031674336 697482778 /nfs/dbraw/zinc/48/27/78/697482778.db2.gz IIUFSPVWKSWFAB-WMLDXEAASA-N 2 2 343.475 1.236 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001031682307 697503344 /nfs/dbraw/zinc/50/33/44/697503344.db2.gz FGVJLIXZLTYSDS-RHSMWYFYSA-N 2 2 346.475 1.369 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001031682307 697503346 /nfs/dbraw/zinc/50/33/46/697503346.db2.gz FGVJLIXZLTYSDS-RHSMWYFYSA-N 2 2 346.475 1.369 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C[N@@H+]1C1CC1 ZINC000921382661 697581252 /nfs/dbraw/zinc/58/12/52/697581252.db2.gz HMNHROUJQUZPJR-NEPJUHHUSA-N 2 2 337.493 1.629 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C[N@H+]1C1CC1 ZINC000921382661 697581254 /nfs/dbraw/zinc/58/12/54/697581254.db2.gz HMNHROUJQUZPJR-NEPJUHHUSA-N 2 2 337.493 1.629 20 0 EDADLP CC1([NH2+]C[C@H]2C[C@]23CCOC3)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083714 700178200 /nfs/dbraw/zinc/17/82/00/700178200.db2.gz UIXDCUXTFFGXIH-BEFAXECRSA-N 2 2 346.475 1.740 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC000943176756 697871512 /nfs/dbraw/zinc/87/15/12/697871512.db2.gz LKTATYSCJYUGTA-DYVFJYSZSA-N 2 2 344.463 1.292 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC000943176756 697871515 /nfs/dbraw/zinc/87/15/15/697871515.db2.gz LKTATYSCJYUGTA-DYVFJYSZSA-N 2 2 344.463 1.292 20 0 EDADLP C[C@@H]1C[N@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178792 697875914 /nfs/dbraw/zinc/87/59/14/697875914.db2.gz VOBFSENGONWQPP-PBHICJAKSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@@H]1C[N@@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178792 697875917 /nfs/dbraw/zinc/87/59/17/697875917.db2.gz VOBFSENGONWQPP-PBHICJAKSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000943337106 698155080 /nfs/dbraw/zinc/15/50/80/698155080.db2.gz XPZUZRBLFWQZPB-CZUORRHYSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000943337106 698155083 /nfs/dbraw/zinc/15/50/83/698155083.db2.gz XPZUZRBLFWQZPB-CZUORRHYSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)cs1 ZINC000943765350 698815606 /nfs/dbraw/zinc/81/56/06/698815606.db2.gz CAWLWUVMCSLVGK-SWLSCSKDSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)cs1 ZINC000943765350 698815608 /nfs/dbraw/zinc/81/56/08/698815608.db2.gz CAWLWUVMCSLVGK-SWLSCSKDSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995156140 701559713 /nfs/dbraw/zinc/55/97/13/701559713.db2.gz WESPMFXFQOFGKH-UONOGXRCSA-N 2 2 328.420 1.125 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1csnn1 ZINC000939132973 699217327 /nfs/dbraw/zinc/21/73/27/699217327.db2.gz MDBCFBSRHYAHNR-OCCSQVGLSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1csnn1 ZINC000939132973 699217328 /nfs/dbraw/zinc/21/73/28/699217328.db2.gz MDBCFBSRHYAHNR-OCCSQVGLSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939208472 699354266 /nfs/dbraw/zinc/35/42/66/699354266.db2.gz COUMGMHMISUHSC-BDJLRTHQSA-N 2 2 334.370 1.867 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cs1 ZINC000939214475 699385757 /nfs/dbraw/zinc/38/57/57/699385757.db2.gz LIOSOUAEIKLRGS-ABAIWWIYSA-N 2 2 333.461 1.396 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cc1 ZINC000939217031 699389465 /nfs/dbraw/zinc/38/94/65/699389465.db2.gz ZOHZJXVLTMHJNP-SUMWQHHRSA-N 2 2 328.416 1.598 20 0 EDADLP C[C@@H](CC(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1)n1cc[nH+]c1 ZINC000941586875 701590918 /nfs/dbraw/zinc/59/09/18/701590918.db2.gz DSOUUJKDAMBDFL-INIZCTEOSA-N 2 2 345.491 1.463 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)C12CCC[NH+]1CCC2 ZINC001031812936 699487808 /nfs/dbraw/zinc/48/78/08/699487808.db2.gz MFOJMTSUUXDIJB-UHFFFAOYSA-N 2 2 332.423 1.397 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000939533797 699671841 /nfs/dbraw/zinc/67/18/41/699671841.db2.gz FJQNBSRNWQYUBZ-DYVFJYSZSA-N 2 2 330.407 1.738 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cn1 ZINC000939534114 699672302 /nfs/dbraw/zinc/67/23/02/699672302.db2.gz HSVJYKFIJBOOEN-CJNGLKHVSA-N 2 2 343.431 1.003 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)sc1C ZINC000939534106 699672427 /nfs/dbraw/zinc/67/24/27/699672427.db2.gz HRCRFJKLOBMVPO-IAQYHMDHSA-N 2 2 347.488 1.673 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CCc1cccs1 ZINC000939536289 699677346 /nfs/dbraw/zinc/67/73/46/699677346.db2.gz VKDFOQKADAFXAZ-BBRMVZONSA-N 2 2 332.473 1.703 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939541072 699681703 /nfs/dbraw/zinc/68/17/03/699681703.db2.gz KUGWJIHXLWMQPK-BXUZGUMPSA-N 2 2 331.420 1.620 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C)co1 ZINC000939550704 699699829 /nfs/dbraw/zinc/69/98/29/699699829.db2.gz OVBRWXMFDPRELO-LRDDRELGSA-N 2 2 343.431 1.694 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995165640 701606359 /nfs/dbraw/zinc/60/63/59/701606359.db2.gz FTMLOYFUQDKGII-HIFRSBDPSA-N 2 2 345.422 1.571 20 0 EDADLP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939624326 699761872 /nfs/dbraw/zinc/76/18/72/699761872.db2.gz WRTHYMATXHWMJI-IINYFYTJSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1oncc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939641494 699771092 /nfs/dbraw/zinc/77/10/92/699771092.db2.gz DWJULGUAWWCKRV-WBMJQRKESA-N 2 2 331.420 1.286 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939642355 699771625 /nfs/dbraw/zinc/77/16/25/699771625.db2.gz JLZNCOBVRYGDDN-CXAGYDPISA-N 2 2 344.463 1.031 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)c(C)o1 ZINC000939643002 699780187 /nfs/dbraw/zinc/78/01/87/699780187.db2.gz OQFCTHJOZCGDAG-PXAZEXFGSA-N 2 2 345.447 1.594 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939643710 699783835 /nfs/dbraw/zinc/78/38/35/699783835.db2.gz VUJRNORULFDXRQ-PBHICJAKSA-N 2 2 334.464 1.216 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)o1 ZINC000939755879 699900836 /nfs/dbraw/zinc/90/08/36/699900836.db2.gz RHUWKFPFQZPCNY-UONOGXRCSA-N 2 2 335.452 1.225 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)c1ccc2c[nH+]cn2c1 ZINC001031850037 699936009 /nfs/dbraw/zinc/93/60/09/699936009.db2.gz MBALQYIVGYXXEA-UHFFFAOYSA-N 2 2 327.413 1.653 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850371 699940997 /nfs/dbraw/zinc/94/09/97/699940997.db2.gz XEGGRGLKGTXNQS-UHFFFAOYSA-N 2 2 325.372 1.493 20 0 EDADLP Cc1conc1C[NH2+]C1(C)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000940228212 700393320 /nfs/dbraw/zinc/39/33/20/700393320.db2.gz JWWKQGKZSBKWRZ-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000083114179 700406391 /nfs/dbraw/zinc/40/63/91/700406391.db2.gz AWUOISLACDHFGT-INIZCTEOSA-N 2 2 346.475 1.730 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000083114179 700406394 /nfs/dbraw/zinc/40/63/94/700406394.db2.gz AWUOISLACDHFGT-INIZCTEOSA-N 2 2 346.475 1.730 20 0 EDADLP COc1cccc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000940397136 700594169 /nfs/dbraw/zinc/59/41/69/700594169.db2.gz HVJSTECQMXJAOL-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC000940441711 700643442 /nfs/dbraw/zinc/64/34/42/700643442.db2.gz QAMQGXBJSHHRLA-DZGCQCFKSA-N 2 2 334.464 1.799 20 0 EDADLP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000940461888 700665145 /nfs/dbraw/zinc/66/51/45/700665145.db2.gz QEDFMLDNISOZJJ-UHFFFAOYSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940624607 700786199 /nfs/dbraw/zinc/78/61/99/700786199.db2.gz IKEMVQJMZFIPLI-IAGOWNOFSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940624607 700786200 /nfs/dbraw/zinc/78/62/00/700786200.db2.gz IKEMVQJMZFIPLI-IAGOWNOFSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940624607 700786203 /nfs/dbraw/zinc/78/62/03/700786203.db2.gz IKEMVQJMZFIPLI-IAGOWNOFSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940624607 700786205 /nfs/dbraw/zinc/78/62/05/700786205.db2.gz IKEMVQJMZFIPLI-IAGOWNOFSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)o1 ZINC000995104904 700917714 /nfs/dbraw/zinc/91/77/14/700917714.db2.gz DLCHSXGFXATXFF-KGLIPLIRSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)o1 ZINC000995104909 700917766 /nfs/dbraw/zinc/91/77/66/700917766.db2.gz DLCHSXGFXATXFF-ZIAGYGMSSA-N 2 2 331.420 1.632 20 0 EDADLP CCn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995105682 700939528 /nfs/dbraw/zinc/93/95/28/700939528.db2.gz GYPQMUNTGXVZGW-KBPBESRZSA-N 2 2 330.436 1.243 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025687 701064621 /nfs/dbraw/zinc/06/46/21/701064621.db2.gz FFIMYBUCGXIGBZ-HZPDHXFCSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025687 701064624 /nfs/dbraw/zinc/06/46/24/701064624.db2.gz FFIMYBUCGXIGBZ-HZPDHXFCSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025687 701064627 /nfs/dbraw/zinc/06/46/27/701064627.db2.gz FFIMYBUCGXIGBZ-HZPDHXFCSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025687 701064629 /nfs/dbraw/zinc/06/46/29/701064629.db2.gz FFIMYBUCGXIGBZ-HZPDHXFCSA-N 2 2 345.491 1.535 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941123325 701181069 /nfs/dbraw/zinc/18/10/69/701181069.db2.gz GHJCTTHIOHQHJI-MRXNPFEDSA-N 2 2 349.479 1.518 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941123325 701181071 /nfs/dbraw/zinc/18/10/71/701181071.db2.gz GHJCTTHIOHQHJI-MRXNPFEDSA-N 2 2 349.479 1.518 20 0 EDADLP Cc1noc(CCC[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)n1 ZINC000945808066 701199202 /nfs/dbraw/zinc/19/92/02/701199202.db2.gz NLAUMQDTHRUQKG-DZGCQCFKSA-N 2 2 346.435 1.034 20 0 EDADLP Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)n1 ZINC000945808066 701199204 /nfs/dbraw/zinc/19/92/04/701199204.db2.gz NLAUMQDTHRUQKG-DZGCQCFKSA-N 2 2 346.435 1.034 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941220290 701410569 /nfs/dbraw/zinc/41/05/69/701410569.db2.gz BLRGTXGSCULLTP-MRXNPFEDSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941220290 701410571 /nfs/dbraw/zinc/41/05/71/701410571.db2.gz BLRGTXGSCULLTP-MRXNPFEDSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)nn1C ZINC000941220286 701410720 /nfs/dbraw/zinc/41/07/20/701410720.db2.gz BJAKWYYJQUPUIK-QGZVFWFLSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)nn1C ZINC000941220286 701410721 /nfs/dbraw/zinc/41/07/21/701410721.db2.gz BJAKWYYJQUPUIK-QGZVFWFLSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247722 701424391 /nfs/dbraw/zinc/42/43/91/701424391.db2.gz QBGDUYPUFIPKMH-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247722 701424392 /nfs/dbraw/zinc/42/43/92/701424392.db2.gz QBGDUYPUFIPKMH-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941237033 701427731 /nfs/dbraw/zinc/42/77/31/701427731.db2.gz GHOFSCYZHGWOSH-HZPDHXFCSA-N 2 2 349.479 1.661 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941237033 701427732 /nfs/dbraw/zinc/42/77/32/701427732.db2.gz GHOFSCYZHGWOSH-HZPDHXFCSA-N 2 2 349.479 1.661 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000941237033 701427733 /nfs/dbraw/zinc/42/77/33/701427733.db2.gz GHOFSCYZHGWOSH-HZPDHXFCSA-N 2 2 349.479 1.661 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000941237033 701427734 /nfs/dbraw/zinc/42/77/34/701427734.db2.gz GHOFSCYZHGWOSH-HZPDHXFCSA-N 2 2 349.479 1.661 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)cn1 ZINC001032129322 701817642 /nfs/dbraw/zinc/81/76/42/701817642.db2.gz VQINBZLDUVUEEV-ROUUACIJSA-N 2 2 345.491 1.453 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001031978096 701987342 /nfs/dbraw/zinc/98/73/42/701987342.db2.gz NZIZJYAXLBJCLK-SJKOYZFVSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001031978096 701987347 /nfs/dbraw/zinc/98/73/47/701987347.db2.gz NZIZJYAXLBJCLK-SJKOYZFVSA-N 2 2 337.414 1.711 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)C[C@H]1C ZINC000944445910 702033722 /nfs/dbraw/zinc/03/37/22/702033722.db2.gz QORAILDYQNHFCK-PBHICJAKSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)C[C@H]1C ZINC000944445910 702033727 /nfs/dbraw/zinc/03/37/27/702033727.db2.gz QORAILDYQNHFCK-PBHICJAKSA-N 2 2 348.491 1.904 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995832782 702108954 /nfs/dbraw/zinc/10/89/54/702108954.db2.gz PDQFBMKXHLLUDA-MCIONIFRSA-N 2 2 349.479 1.299 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995832782 702108957 /nfs/dbraw/zinc/10/89/57/702108957.db2.gz PDQFBMKXHLLUDA-MCIONIFRSA-N 2 2 349.479 1.299 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC000995185323 702122655 /nfs/dbraw/zinc/12/26/55/702122655.db2.gz NLKGOFHVBDZLGE-KGLIPLIRSA-N 2 2 330.436 1.069 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC000995188403 702215410 /nfs/dbraw/zinc/21/54/10/702215410.db2.gz VZMWLYFAITUXCT-UONOGXRCSA-N 2 2 331.420 1.632 20 0 EDADLP CC1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]Cc1cnon1 ZINC000996006082 702388160 /nfs/dbraw/zinc/38/81/60/702388160.db2.gz IFNLLILRXWOWOF-OAHLLOKOSA-N 2 2 340.387 1.358 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C(C)(C)C1 ZINC000996060140 702469153 /nfs/dbraw/zinc/46/91/53/702469153.db2.gz OYNRLYILOJEZMT-GXTWGEPZSA-N 2 2 346.435 1.471 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1 ZINC000996089153 702498054 /nfs/dbraw/zinc/49/80/54/702498054.db2.gz YSFHWYIUMNTGBI-CABCVRRESA-N 2 2 334.464 1.216 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC000996077068 702525521 /nfs/dbraw/zinc/52/55/21/702525521.db2.gz XMHHYHGVRACQLB-HZPDHXFCSA-N 2 2 348.491 1.748 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC000995550029 702543540 /nfs/dbraw/zinc/54/35/40/702543540.db2.gz HBJJRHXCCJHLJD-UONOGXRCSA-N 2 2 347.463 1.368 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1 ZINC000995550029 702543543 /nfs/dbraw/zinc/54/35/43/702543543.db2.gz HBJJRHXCCJHLJD-UONOGXRCSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nncs2)C1 ZINC000995209503 702674561 /nfs/dbraw/zinc/67/45/61/702674561.db2.gz KGPVOXOAKBTEOJ-CHWSQXEVSA-N 2 2 334.449 1.118 20 0 EDADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000996476483 702808655 /nfs/dbraw/zinc/80/86/55/702808655.db2.gz REFWFOQAQVOESM-RHSMWYFYSA-N 2 2 342.443 1.693 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996513246 702832654 /nfs/dbraw/zinc/83/26/54/702832654.db2.gz HUKUMKIBJDMYOA-HNNXBMFYSA-N 2 2 347.488 1.754 20 0 EDADLP CC(C)(C(=O)N1C[C@H]([NH2+]C[C@@H]2CCCOC2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996516213 702852031 /nfs/dbraw/zinc/85/20/31/702852031.db2.gz YHYSDKYCDFSEFH-HOCLYGCPSA-N 2 2 348.491 1.941 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996564368 702885691 /nfs/dbraw/zinc/88/56/91/702885691.db2.gz SYZJCJVWYSCFQB-INIZCTEOSA-N 2 2 327.432 1.682 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000995248800 702956661 /nfs/dbraw/zinc/95/66/61/702956661.db2.gz LGAACBSTRUMIBY-GDBMZVCRSA-N 2 2 343.431 1.361 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001032313374 702964789 /nfs/dbraw/zinc/96/47/89/702964789.db2.gz IGBMSNDVJKHRPP-XYJFISCASA-N 2 2 329.444 1.575 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001032313374 702964792 /nfs/dbraw/zinc/96/47/92/702964792.db2.gz IGBMSNDVJKHRPP-XYJFISCASA-N 2 2 329.444 1.575 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001032313374 702964794 /nfs/dbraw/zinc/96/47/94/702964794.db2.gz IGBMSNDVJKHRPP-XYJFISCASA-N 2 2 329.444 1.575 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001032313374 702964796 /nfs/dbraw/zinc/96/47/96/702964796.db2.gz IGBMSNDVJKHRPP-XYJFISCASA-N 2 2 329.444 1.575 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996684560 702982653 /nfs/dbraw/zinc/98/26/53/702982653.db2.gz OXSVCFXDKYSLBW-ZIAGYGMSSA-N 2 2 331.445 1.751 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996684560 702982654 /nfs/dbraw/zinc/98/26/54/702982654.db2.gz OXSVCFXDKYSLBW-ZIAGYGMSSA-N 2 2 331.445 1.751 20 0 EDADLP CCc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000995253744 702989893 /nfs/dbraw/zinc/98/98/93/702989893.db2.gz UAOOBEMAGDNGIS-OLZOCXBDSA-N 2 2 348.476 1.372 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nn1 ZINC000995254485 702995247 /nfs/dbraw/zinc/99/52/47/702995247.db2.gz VCSBYYFZWMTUGK-LSDHHAIUSA-N 2 2 345.451 1.130 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)n1 ZINC000996714273 703009127 /nfs/dbraw/zinc/00/91/27/703009127.db2.gz KGMSIJYKISNVFF-CYBMUJFWSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996754292 703043137 /nfs/dbraw/zinc/04/31/37/703043137.db2.gz CHBMLVMIZBESQT-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001032027484 703049797 /nfs/dbraw/zinc/04/97/97/703049797.db2.gz SUXHAGANPMDQCW-CRAIPNDOSA-N 2 2 345.491 1.849 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001032027484 703049800 /nfs/dbraw/zinc/04/98/00/703049800.db2.gz SUXHAGANPMDQCW-CRAIPNDOSA-N 2 2 345.491 1.849 20 0 EDADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C(F)(F)F ZINC000996821721 703109002 /nfs/dbraw/zinc/10/90/02/703109002.db2.gz ACEABJMQGALORI-AAEUAGOBSA-N 2 2 332.370 1.977 20 0 EDADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC000996821721 703109004 /nfs/dbraw/zinc/10/90/04/703109004.db2.gz ACEABJMQGALORI-AAEUAGOBSA-N 2 2 332.370 1.977 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996832812 703115612 /nfs/dbraw/zinc/11/56/12/703115612.db2.gz GJYBJMVMAGJHOV-UHFFFAOYSA-N 2 2 333.461 1.590 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H](C[NH2+]CC2CCC2)[C@H](C(F)(F)F)C1 ZINC000996857435 703141717 /nfs/dbraw/zinc/14/17/17/703141717.db2.gz LVNXWZOKXNUQPR-GXTWGEPZSA-N 2 2 344.381 1.979 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](C[NH2+]CC2CCC2)[C@@H](C(F)(F)F)C1 ZINC000996859594 703143225 /nfs/dbraw/zinc/14/32/25/703143225.db2.gz PJRGJBIZGSTDQD-KGLIPLIRSA-N 2 2 344.381 1.910 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000997037148 703288814 /nfs/dbraw/zinc/28/88/14/703288814.db2.gz UROPOPMYEXQMFH-KRWDZBQOSA-N 2 2 346.406 1.406 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997043257 703288962 /nfs/dbraw/zinc/28/89/62/703288962.db2.gz WQTFJZFQZCZHGM-UHFFFAOYSA-N 2 2 336.827 1.120 20 0 EDADLP Cc1nonc1C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000997047096 703296047 /nfs/dbraw/zinc/29/60/47/703296047.db2.gz WKUNYFUUHBRDHP-GFCCVEGCSA-N 2 2 332.408 1.306 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997084858 703320008 /nfs/dbraw/zinc/32/00/08/703320008.db2.gz MBFNGEQBBWVNJF-GFCCVEGCSA-N 2 2 331.420 1.666 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997084858 703320011 /nfs/dbraw/zinc/32/00/11/703320011.db2.gz MBFNGEQBBWVNJF-GFCCVEGCSA-N 2 2 331.420 1.666 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997086935 703332529 /nfs/dbraw/zinc/33/25/29/703332529.db2.gz WEVPHPBUXJYHQC-ZDUSSCGKSA-N 2 2 345.422 1.903 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997086935 703332532 /nfs/dbraw/zinc/33/25/32/703332532.db2.gz WEVPHPBUXJYHQC-ZDUSSCGKSA-N 2 2 345.422 1.903 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1)[NH+](C)C ZINC001060795122 703378434 /nfs/dbraw/zinc/37/84/34/703378434.db2.gz GFVATDMZSIZYSZ-RBSFLKMASA-N 2 2 349.479 1.084 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997127605 703386545 /nfs/dbraw/zinc/38/65/45/703386545.db2.gz RAJLETAMXHGHCV-UHFFFAOYSA-N 2 2 344.463 1.819 20 0 EDADLP Cc1nnsc1C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997221508 703499528 /nfs/dbraw/zinc/49/95/28/703499528.db2.gz KZMZBQUOXOTKBN-UHFFFAOYSA-N 2 2 334.449 1.201 20 0 EDADLP Cc1ncsc1C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997211205 703510779 /nfs/dbraw/zinc/51/07/79/703510779.db2.gz OTLWEQGKGOWOJR-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP CCCCc1nc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)no1 ZINC000997308004 703566345 /nfs/dbraw/zinc/56/63/45/703566345.db2.gz YEULIJYPTYVUOR-UHFFFAOYSA-N 2 2 349.479 1.589 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032431018 703588811 /nfs/dbraw/zinc/58/88/11/703588811.db2.gz NFJIIQDBWJQAAU-QEJZJMRPSA-N 2 2 337.489 1.743 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1C[NH+](C)C ZINC001032431018 703588813 /nfs/dbraw/zinc/58/88/13/703588813.db2.gz NFJIIQDBWJQAAU-QEJZJMRPSA-N 2 2 337.489 1.743 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997390407 703657861 /nfs/dbraw/zinc/65/78/61/703657861.db2.gz PJAXEKYSFNSWOM-CYBMUJFWSA-N 2 2 347.463 1.191 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)sn1 ZINC000997413339 703668645 /nfs/dbraw/zinc/66/86/45/703668645.db2.gz MGSBFZUHVSMJKD-UHFFFAOYSA-N 2 2 335.433 1.129 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)nc1C)[NH+](C)C ZINC001032475218 703695392 /nfs/dbraw/zinc/69/53/92/703695392.db2.gz XMGCXGIACRDTOB-OKZBNKHCSA-N 2 2 330.476 1.824 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)nc1C)[NH+](C)C ZINC001032475218 703695393 /nfs/dbraw/zinc/69/53/93/703695393.db2.gz XMGCXGIACRDTOB-OKZBNKHCSA-N 2 2 330.476 1.824 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032522219 703968679 /nfs/dbraw/zinc/96/86/79/703968679.db2.gz UNCKRPGRJXKLQX-JYJNAYRXSA-N 2 2 332.448 1.292 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032522219 703968680 /nfs/dbraw/zinc/96/86/80/703968680.db2.gz UNCKRPGRJXKLQX-JYJNAYRXSA-N 2 2 332.448 1.292 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001004258552 704086863 /nfs/dbraw/zinc/08/68/63/704086863.db2.gz TYQZLKAKEVPZLE-KRWDZBQOSA-N 2 2 334.464 1.405 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCCOCC1 ZINC000922610575 704144553 /nfs/dbraw/zinc/14/45/53/704144553.db2.gz UGKBQOUXMGNVOI-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCCOCC1 ZINC000922610575 704144554 /nfs/dbraw/zinc/14/45/54/704144554.db2.gz UGKBQOUXMGNVOI-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000922610575 704144555 /nfs/dbraw/zinc/14/45/55/704144555.db2.gz UGKBQOUXMGNVOI-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004423994 704404627 /nfs/dbraw/zinc/40/46/27/704404627.db2.gz FQXKPWVMHOWRJU-INIZCTEOSA-N 2 2 334.464 1.692 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004423994 704404630 /nfs/dbraw/zinc/40/46/30/704404630.db2.gz FQXKPWVMHOWRJU-INIZCTEOSA-N 2 2 334.464 1.692 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004425457 704406360 /nfs/dbraw/zinc/40/63/60/704406360.db2.gz OSEVPROSRPMGML-HOCLYGCPSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001004425457 704406361 /nfs/dbraw/zinc/40/63/61/704406361.db2.gz OSEVPROSRPMGML-HOCLYGCPSA-N 2 2 334.464 1.426 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997818079 704735174 /nfs/dbraw/zinc/73/51/74/704735174.db2.gz UHZDLKLCDRIIDD-UHFFFAOYSA-N 2 2 327.432 1.766 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997818079 704735176 /nfs/dbraw/zinc/73/51/76/704735176.db2.gz UHZDLKLCDRIIDD-UHFFFAOYSA-N 2 2 327.432 1.766 20 0 EDADLP CC1(C)CO[C@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000997815477 704735728 /nfs/dbraw/zinc/73/57/28/704735728.db2.gz BRIBWAHZFDSLSR-KRWDZBQOSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)CO[C@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000997815477 704735729 /nfs/dbraw/zinc/73/57/29/704735729.db2.gz BRIBWAHZFDSLSR-KRWDZBQOSA-N 2 2 348.491 1.986 20 0 EDADLP CCn1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944946631 704799713 /nfs/dbraw/zinc/79/97/13/704799713.db2.gz XSGYQAOXSBQWHZ-HOCLYGCPSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944946631 704799714 /nfs/dbraw/zinc/79/97/14/704799714.db2.gz XSGYQAOXSBQWHZ-HOCLYGCPSA-N 2 2 348.495 1.029 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997912034 704959287 /nfs/dbraw/zinc/95/92/87/704959287.db2.gz ZQDDMUISLPUMCF-MRXNPFEDSA-N 2 2 342.443 1.813 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2c[nH+]cn2C)C1 ZINC001032582147 705017816 /nfs/dbraw/zinc/01/78/16/705017816.db2.gz OJUXAJBASXFBSK-IKGGRYGDSA-N 2 2 345.491 1.327 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2c[nH+]cn2C)C1 ZINC001032582147 705017822 /nfs/dbraw/zinc/01/78/22/705017822.db2.gz OJUXAJBASXFBSK-IKGGRYGDSA-N 2 2 345.491 1.327 20 0 EDADLP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001032585427 705062218 /nfs/dbraw/zinc/06/22/18/705062218.db2.gz IGODZDXZBLDBIQ-FHWLQOOXSA-N 2 2 349.519 1.961 20 0 EDADLP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001032585427 705062222 /nfs/dbraw/zinc/06/22/22/705062222.db2.gz IGODZDXZBLDBIQ-FHWLQOOXSA-N 2 2 349.519 1.961 20 0 EDADLP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001032585427 705062224 /nfs/dbraw/zinc/06/22/24/705062224.db2.gz IGODZDXZBLDBIQ-FHWLQOOXSA-N 2 2 349.519 1.961 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2nnc(C)o2)CC1 ZINC000997948128 705069342 /nfs/dbraw/zinc/06/93/42/705069342.db2.gz GMHLKKHDWBVUGG-HOTGVXAUSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2nnc(C)o2)CC1 ZINC000997948128 705069346 /nfs/dbraw/zinc/06/93/46/705069346.db2.gz GMHLKKHDWBVUGG-HOTGVXAUSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000997948128 705069351 /nfs/dbraw/zinc/06/93/51/705069351.db2.gz GMHLKKHDWBVUGG-HOTGVXAUSA-N 2 2 349.479 1.675 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2nnc(C)o2)CC1 ZINC000997948128 705069356 /nfs/dbraw/zinc/06/93/56/705069356.db2.gz GMHLKKHDWBVUGG-HOTGVXAUSA-N 2 2 349.479 1.675 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1)c1cnccn1 ZINC000997953729 705082983 /nfs/dbraw/zinc/08/29/83/705082983.db2.gz YLCFWBWMQYHXDT-OAHLLOKOSA-N 2 2 342.447 1.653 20 0 EDADLP CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998044578 705239926 /nfs/dbraw/zinc/23/99/26/705239926.db2.gz HWJZVRWWCQLZNC-IRXDYDNUSA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998044578 705239928 /nfs/dbraw/zinc/23/99/28/705239928.db2.gz HWJZVRWWCQLZNC-IRXDYDNUSA-N 2 2 348.491 1.531 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C[C@@H](O)c1ccccc1 ZINC001038602835 705287453 /nfs/dbraw/zinc/28/74/53/705287453.db2.gz DZYYWODUILRKLB-OKZBNKHCSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C[C@@H](O)c1ccccc1 ZINC001038602835 705287458 /nfs/dbraw/zinc/28/74/58/705287458.db2.gz DZYYWODUILRKLB-OKZBNKHCSA-N 2 2 331.460 1.395 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC001038602835 705287462 /nfs/dbraw/zinc/28/74/62/705287462.db2.gz DZYYWODUILRKLB-OKZBNKHCSA-N 2 2 331.460 1.395 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC001038602835 705287467 /nfs/dbraw/zinc/28/74/67/705287467.db2.gz DZYYWODUILRKLB-OKZBNKHCSA-N 2 2 331.460 1.395 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000998071687 705289254 /nfs/dbraw/zinc/28/92/54/705289254.db2.gz LIDIBJOPLLOFBJ-JKSUJKDBSA-N 2 2 346.475 1.694 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)ncn1 ZINC000998119626 705366916 /nfs/dbraw/zinc/36/69/16/705366916.db2.gz NOJRNDCUDVEUCC-UHFFFAOYSA-N 2 2 328.420 1.079 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000998139978 705406534 /nfs/dbraw/zinc/40/65/34/705406534.db2.gz XSDPMMFPHGNEKD-CYBMUJFWSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000998139978 705406537 /nfs/dbraw/zinc/40/65/37/705406537.db2.gz XSDPMMFPHGNEKD-CYBMUJFWSA-N 2 2 345.447 1.913 20 0 EDADLP CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000948648041 705428667 /nfs/dbraw/zinc/42/86/67/705428667.db2.gz NVOHCLOYYVCHBW-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000948648041 705428671 /nfs/dbraw/zinc/42/86/71/705428671.db2.gz NVOHCLOYYVCHBW-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000948648041 705428674 /nfs/dbraw/zinc/42/86/74/705428674.db2.gz NVOHCLOYYVCHBW-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000948648041 705428679 /nfs/dbraw/zinc/42/86/79/705428679.db2.gz NVOHCLOYYVCHBW-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000998222780 705549227 /nfs/dbraw/zinc/54/92/27/705549227.db2.gz MCRJTVAFELFKRL-QGZVFWFLSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001032626998 705733159 /nfs/dbraw/zinc/73/31/59/705733159.db2.gz QALLUGRLXOVDNW-SNPRPXQTSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001032626998 705733161 /nfs/dbraw/zinc/73/31/61/705733161.db2.gz QALLUGRLXOVDNW-SNPRPXQTSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032626998 705733166 /nfs/dbraw/zinc/73/31/66/705733166.db2.gz QALLUGRLXOVDNW-SNPRPXQTSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032626998 705733169 /nfs/dbraw/zinc/73/31/69/705733169.db2.gz QALLUGRLXOVDNW-SNPRPXQTSA-N 2 2 334.489 1.721 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC000998552977 705990704 /nfs/dbraw/zinc/99/07/04/705990704.db2.gz UTKVVQINMKXBNG-NRXISQOPSA-N 2 2 347.463 1.510 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC000998552977 705990707 /nfs/dbraw/zinc/99/07/07/705990707.db2.gz UTKVVQINMKXBNG-NRXISQOPSA-N 2 2 347.463 1.510 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000998733217 706166449 /nfs/dbraw/zinc/16/64/49/706166449.db2.gz TUUVFPCHEIPEGK-ZIAGYGMSSA-N 2 2 349.479 1.542 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000998733217 706166451 /nfs/dbraw/zinc/16/64/51/706166451.db2.gz TUUVFPCHEIPEGK-ZIAGYGMSSA-N 2 2 349.479 1.542 20 0 EDADLP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999006876 706426362 /nfs/dbraw/zinc/42/63/62/706426362.db2.gz HRIPDMVCBVBCCC-BZOOQXSSSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)o1 ZINC000999835241 707468011 /nfs/dbraw/zinc/46/80/11/707468011.db2.gz GYUCCTDMYBHMPO-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000999003058 706442269 /nfs/dbraw/zinc/44/22/69/706442269.db2.gz CCYUNNFLXSAIPT-KLAILNCOSA-N 2 2 339.443 1.620 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000999834801 707468210 /nfs/dbraw/zinc/46/82/10/707468210.db2.gz FXNNFZRIFFGISP-QGZVFWFLSA-N 2 2 334.464 1.671 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)o1 ZINC000999376287 706870604 /nfs/dbraw/zinc/87/06/04/706870604.db2.gz VTFRBPBQFDIBKY-HUUCEWRRSA-N 2 2 343.431 1.838 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1)C1CC1 ZINC000999377740 706872179 /nfs/dbraw/zinc/87/21/79/706872179.db2.gz WYPFIJOPGAMXIF-GOEBONIOSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)no1 ZINC000999369678 706883558 /nfs/dbraw/zinc/88/35/58/706883558.db2.gz KGGBFSHVZRAKDV-GDBMZVCRSA-N 2 2 343.431 1.838 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC000999425401 706932134 /nfs/dbraw/zinc/93/21/34/706932134.db2.gz TWUYTABAQIWFHR-CJNGLKHVSA-N 2 2 337.468 1.299 20 0 EDADLP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC000999469395 706978610 /nfs/dbraw/zinc/97/86/10/706978610.db2.gz MBEPAOVKFXZDAQ-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000999473575 706982608 /nfs/dbraw/zinc/98/26/08/706982608.db2.gz PFFLYAIAAUTHTM-UHFFFAOYSA-N 2 2 342.447 1.264 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CC([NH2+]Cc2ccccc2)C1 ZINC000999556817 707054867 /nfs/dbraw/zinc/05/48/67/707054867.db2.gz NINBYGIYIRPCSR-UHFFFAOYSA-N 2 2 345.487 1.876 20 0 EDADLP CCn1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)nn1 ZINC001005012513 707115257 /nfs/dbraw/zinc/11/52/57/707115257.db2.gz XCRUPVLGNMDQFR-HOCLYGCPSA-N 2 2 345.451 1.054 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999680747 707165677 /nfs/dbraw/zinc/16/56/77/707165677.db2.gz IUKJMGPLVKKLEW-HOTGVXAUSA-N 2 2 342.443 1.955 20 0 EDADLP COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000999686955 707239894 /nfs/dbraw/zinc/23/98/94/707239894.db2.gz BOHRKIWKXDVSFA-UHFFFAOYSA-N 2 2 342.443 1.750 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)s1 ZINC000999716016 707253818 /nfs/dbraw/zinc/25/38/18/707253818.db2.gz YQTILBWVVSYCCB-CYBMUJFWSA-N 2 2 348.476 1.386 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033266354 707292891 /nfs/dbraw/zinc/29/28/91/707292891.db2.gz ODAPWRRWFMTTPR-MRXNPFEDSA-N 2 2 331.395 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033266354 707292893 /nfs/dbraw/zinc/29/28/93/707292893.db2.gz ODAPWRRWFMTTPR-MRXNPFEDSA-N 2 2 331.395 1.459 20 0 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/nfs/dbraw/zinc/49/97/49/708499749.db2.gz RMKYVSIKFBKNNY-OAHLLOKOSA-N 2 2 339.480 1.999 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033789381 708700148 /nfs/dbraw/zinc/70/01/48/708700148.db2.gz NVWGZKWDDKVTAZ-GJZGRUSLSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033789381 708700149 /nfs/dbraw/zinc/70/01/49/708700149.db2.gz NVWGZKWDDKVTAZ-GJZGRUSLSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033789381 708700150 /nfs/dbraw/zinc/70/01/50/708700150.db2.gz NVWGZKWDDKVTAZ-GJZGRUSLSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033789381 708700151 /nfs/dbraw/zinc/70/01/51/708700151.db2.gz NVWGZKWDDKVTAZ-GJZGRUSLSA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001033789608 708700370 /nfs/dbraw/zinc/70/03/70/708700370.db2.gz OKIBHXZSSGDWLV-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001033789608 708700373 /nfs/dbraw/zinc/70/03/73/708700373.db2.gz OKIBHXZSSGDWLV-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033789608 708700376 /nfs/dbraw/zinc/70/03/76/708700376.db2.gz OKIBHXZSSGDWLV-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033789608 708700378 /nfs/dbraw/zinc/70/03/78/708700378.db2.gz OKIBHXZSSGDWLV-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033777007 708704192 /nfs/dbraw/zinc/70/41/92/708704192.db2.gz SECRWPNZLNDOGL-DZGCQCFKSA-N 2 2 336.436 1.200 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033777007 708704193 /nfs/dbraw/zinc/70/41/93/708704193.db2.gz SECRWPNZLNDOGL-DZGCQCFKSA-N 2 2 336.436 1.200 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001033777007 708704194 /nfs/dbraw/zinc/70/41/94/708704194.db2.gz SECRWPNZLNDOGL-DZGCQCFKSA-N 2 2 336.436 1.200 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033790759 708715791 /nfs/dbraw/zinc/71/57/91/708715791.db2.gz YDUQNQGGPQSQBP-ZWKOTPCHSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033790759 708715794 /nfs/dbraw/zinc/71/57/94/708715794.db2.gz YDUQNQGGPQSQBP-ZWKOTPCHSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001033790759 708715797 /nfs/dbraw/zinc/71/57/97/708715797.db2.gz YDUQNQGGPQSQBP-ZWKOTPCHSA-N 2 2 349.519 1.820 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001033790759 708715799 /nfs/dbraw/zinc/71/57/99/708715799.db2.gz YDUQNQGGPQSQBP-ZWKOTPCHSA-N 2 2 349.519 1.820 20 0 EDADLP C[C@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)C1=CC[N@H+](C)CC1 ZINC000921880987 708771693 /nfs/dbraw/zinc/77/16/93/708771693.db2.gz MDKKISDVALOZJY-LBPRGKRZSA-N 2 2 337.493 1.654 20 0 EDADLP C[C@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)C1=CC[N@@H+](C)CC1 ZINC000921880987 708771694 /nfs/dbraw/zinc/77/16/94/708771694.db2.gz MDKKISDVALOZJY-LBPRGKRZSA-N 2 2 337.493 1.654 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001002463273 708988782 /nfs/dbraw/zinc/98/87/82/708988782.db2.gz WUVKKBSEUBWPRB-HIFRSBDPSA-N 2 2 349.479 1.929 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001002463273 708988786 /nfs/dbraw/zinc/98/87/86/708988786.db2.gz WUVKKBSEUBWPRB-HIFRSBDPSA-N 2 2 349.479 1.929 20 0 EDADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033886777 708993891 /nfs/dbraw/zinc/99/38/91/708993891.db2.gz JCTHFDUXHDSSLN-GDBMZVCRSA-N 2 2 343.431 1.135 20 0 EDADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033886777 708993892 /nfs/dbraw/zinc/99/38/92/708993892.db2.gz JCTHFDUXHDSSLN-GDBMZVCRSA-N 2 2 343.431 1.135 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](N(CC)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001034012225 709225464 /nfs/dbraw/zinc/22/54/64/709225464.db2.gz COUQTJDNPUGZJZ-OAHLLOKOSA-N 2 2 346.475 1.756 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](N(CC)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001034012225 709225467 /nfs/dbraw/zinc/22/54/67/709225467.db2.gz COUQTJDNPUGZJZ-OAHLLOKOSA-N 2 2 346.475 1.756 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001034012260 709225580 /nfs/dbraw/zinc/22/55/80/709225580.db2.gz DKZBQIXKLTTZMP-INIZCTEOSA-N 2 2 345.491 1.422 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001034012260 709225582 /nfs/dbraw/zinc/22/55/82/709225582.db2.gz DKZBQIXKLTTZMP-INIZCTEOSA-N 2 2 345.491 1.422 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)n1 ZINC001002803292 709405824 /nfs/dbraw/zinc/40/58/24/709405824.db2.gz UUUUQEYOGFINLH-CRAIPNDOSA-N 2 2 345.491 1.375 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)n1 ZINC001002803292 709405825 /nfs/dbraw/zinc/40/58/25/709405825.db2.gz UUUUQEYOGFINLH-CRAIPNDOSA-N 2 2 345.491 1.375 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[N@H+](CCCO)C3)ccn12 ZINC001034208082 709556418 /nfs/dbraw/zinc/55/64/18/709556418.db2.gz VIQWMMBZQNFRPV-MRXNPFEDSA-N 2 2 330.432 1.609 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[N@@H+](CCCO)C3)ccn12 ZINC001034208082 709556419 /nfs/dbraw/zinc/55/64/19/709556419.db2.gz VIQWMMBZQNFRPV-MRXNPFEDSA-N 2 2 330.432 1.609 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)[nH]n1 ZINC001034216545 709571539 /nfs/dbraw/zinc/57/15/39/709571539.db2.gz IOSWHQDNSZKQIB-PBHICJAKSA-N 2 2 349.479 1.143 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)[nH]n1 ZINC001034216545 709571541 /nfs/dbraw/zinc/57/15/41/709571541.db2.gz IOSWHQDNSZKQIB-PBHICJAKSA-N 2 2 349.479 1.143 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)[nH]n1 ZINC001034216545 709571542 /nfs/dbraw/zinc/57/15/42/709571542.db2.gz IOSWHQDNSZKQIB-PBHICJAKSA-N 2 2 349.479 1.143 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)[nH]n1 ZINC001034216545 709571544 /nfs/dbraw/zinc/57/15/44/709571544.db2.gz IOSWHQDNSZKQIB-PBHICJAKSA-N 2 2 349.479 1.143 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005532544 709659786 /nfs/dbraw/zinc/65/97/86/709659786.db2.gz LATYDDPUGHSLEW-USXIJHARSA-N 2 2 346.475 1.863 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005532544 709659791 /nfs/dbraw/zinc/65/97/91/709659791.db2.gz LATYDDPUGHSLEW-USXIJHARSA-N 2 2 346.475 1.863 20 0 EDADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034278046 709693690 /nfs/dbraw/zinc/69/36/90/709693690.db2.gz GPEZUCPDBFOIJO-LSDHHAIUSA-N 2 2 334.464 1.440 20 0 EDADLP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001034278046 709693693 /nfs/dbraw/zinc/69/36/93/709693693.db2.gz GPEZUCPDBFOIJO-LSDHHAIUSA-N 2 2 334.464 1.440 20 0 EDADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034278046 709693694 /nfs/dbraw/zinc/69/36/94/709693694.db2.gz GPEZUCPDBFOIJO-LSDHHAIUSA-N 2 2 334.464 1.440 20 0 EDADLP COCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001034278046 709693697 /nfs/dbraw/zinc/69/36/97/709693697.db2.gz GPEZUCPDBFOIJO-LSDHHAIUSA-N 2 2 334.464 1.440 20 0 EDADLP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290130 709714755 /nfs/dbraw/zinc/71/47/55/709714755.db2.gz FCJLNJHKEXTFNM-GOEBONIOSA-N 2 2 343.431 1.183 20 0 EDADLP CC[C@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290130 709714757 /nfs/dbraw/zinc/71/47/57/709714757.db2.gz FCJLNJHKEXTFNM-GOEBONIOSA-N 2 2 343.431 1.183 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003012606 709784760 /nfs/dbraw/zinc/78/47/60/709784760.db2.gz YLSFSOQRQDADOL-QGZVFWFLSA-N 2 2 345.491 1.820 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003012606 709784763 /nfs/dbraw/zinc/78/47/63/709784763.db2.gz YLSFSOQRQDADOL-QGZVFWFLSA-N 2 2 345.491 1.820 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034393629 709928000 /nfs/dbraw/zinc/92/80/00/709928000.db2.gz FSFONOGSGPFKKM-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034393629 709928003 /nfs/dbraw/zinc/92/80/03/709928003.db2.gz FSFONOGSGPFKKM-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3ccns3)C2)C1 ZINC001034393629 709928006 /nfs/dbraw/zinc/92/80/06/709928006.db2.gz FSFONOGSGPFKKM-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ccns3)C2)C1 ZINC001034393629 709928009 /nfs/dbraw/zinc/92/80/09/709928009.db2.gz FSFONOGSGPFKKM-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP COc1cc[nH+]cc1CC(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001003136618 710023512 /nfs/dbraw/zinc/02/35/12/710023512.db2.gz ZDEFSZUYYIDOEA-HNNXBMFYSA-N 2 2 347.459 1.640 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCCO2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003195493 710130346 /nfs/dbraw/zinc/13/03/46/710130346.db2.gz XVVVCKPJKAVNFT-NVXWUHKLSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1nonc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034486666 710133482 /nfs/dbraw/zinc/13/34/82/710133482.db2.gz CILSMYWAUHHOCD-CABCVRRESA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nonc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034486666 710133483 /nfs/dbraw/zinc/13/34/83/710133483.db2.gz CILSMYWAUHHOCD-CABCVRRESA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nonc1C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486666 710133486 /nfs/dbraw/zinc/13/34/86/710133486.db2.gz CILSMYWAUHHOCD-CABCVRRESA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nonc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034486666 710133488 /nfs/dbraw/zinc/13/34/88/710133488.db2.gz CILSMYWAUHHOCD-CABCVRRESA-N 2 2 335.452 1.191 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001034503234 710145124 /nfs/dbraw/zinc/14/51/24/710145124.db2.gz MCBWJVHCILKJFJ-HOTGVXAUSA-N 2 2 334.464 1.800 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001034503234 710145126 /nfs/dbraw/zinc/14/51/26/710145126.db2.gz MCBWJVHCILKJFJ-HOTGVXAUSA-N 2 2 334.464 1.800 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@H]2CCOC2)C1 ZINC001034503556 710145424 /nfs/dbraw/zinc/14/54/24/710145424.db2.gz OZSWNGFECPVMNI-JKSUJKDBSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001034503556 710145427 /nfs/dbraw/zinc/14/54/27/710145427.db2.gz OZSWNGFECPVMNI-JKSUJKDBSA-N 2 2 334.464 1.658 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1)OC ZINC001003292623 710223756 /nfs/dbraw/zinc/22/37/56/710223756.db2.gz FRLLYSLTHQRNRH-HNNXBMFYSA-N 2 2 330.432 1.954 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC001003492214 710374784 /nfs/dbraw/zinc/37/47/84/710374784.db2.gz KTKOAFLFJVMKCF-YDHLFZDLSA-N 2 2 348.495 1.485 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC001003492214 710374786 /nfs/dbraw/zinc/37/47/86/710374786.db2.gz KTKOAFLFJVMKCF-YDHLFZDLSA-N 2 2 348.495 1.485 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001003607804 710439874 /nfs/dbraw/zinc/43/98/74/710439874.db2.gz YQDPHFPKWRENPR-ZFWWWQNUSA-N 2 2 332.448 1.447 20 0 EDADLP Cc1cc(C)c(C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC001003606542 710446761 /nfs/dbraw/zinc/44/67/61/710446761.db2.gz DPKOCYQBEDDQAA-INIZCTEOSA-N 2 2 344.459 1.147 20 0 EDADLP Cc1cc(C)c(C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC001003606542 710446762 /nfs/dbraw/zinc/44/67/62/710446762.db2.gz DPKOCYQBEDDQAA-INIZCTEOSA-N 2 2 344.459 1.147 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC001003628471 710458312 /nfs/dbraw/zinc/45/83/12/710458312.db2.gz QFTIEUAWEWJPCX-OLZOCXBDSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001003628471 710458313 /nfs/dbraw/zinc/45/83/13/710458313.db2.gz QFTIEUAWEWJPCX-OLZOCXBDSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003628145 710458323 /nfs/dbraw/zinc/45/83/23/710458323.db2.gz MOIDYOPWEDTXGX-QWHCGFSZSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003628145 710458324 /nfs/dbraw/zinc/45/83/24/710458324.db2.gz MOIDYOPWEDTXGX-QWHCGFSZSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003630313 710459748 /nfs/dbraw/zinc/45/97/48/710459748.db2.gz KZKQVWAHDABQSG-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003630313 710459749 /nfs/dbraw/zinc/45/97/49/710459749.db2.gz KZKQVWAHDABQSG-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001003652452 710469926 /nfs/dbraw/zinc/46/99/26/710469926.db2.gz NKMVQDBJYQDUEH-GVDBMIGSSA-N 2 2 346.475 1.673 20 0 EDADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2OCCCO2)CC1 ZINC000922277471 710570145 /nfs/dbraw/zinc/57/01/45/710570145.db2.gz JXBXZUHWGJCMEM-UHFFFAOYSA-N 2 2 339.867 1.944 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC001061327279 710576316 /nfs/dbraw/zinc/57/63/16/710576316.db2.gz GMGWVYRCLRMKSC-HZPDHXFCSA-N 2 2 331.464 1.581 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC001061327279 710576318 /nfs/dbraw/zinc/57/63/18/710576318.db2.gz GMGWVYRCLRMKSC-HZPDHXFCSA-N 2 2 331.464 1.581 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001034701754 710807176 /nfs/dbraw/zinc/80/71/76/710807176.db2.gz KARAPWZPBYBZIB-WKILWMFISA-N 2 2 328.416 1.495 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)on1 ZINC001034763298 711035074 /nfs/dbraw/zinc/03/50/74/711035074.db2.gz INKLDKNERKFVAT-HAQNSBGRSA-N 2 2 333.392 1.166 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)co1 ZINC001034777035 711055182 /nfs/dbraw/zinc/05/51/82/711055182.db2.gz DNSLDRIYVJCYTM-HDJSIYSDSA-N 2 2 331.420 1.476 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001003956670 711066505 /nfs/dbraw/zinc/06/65/05/711066505.db2.gz ZBCYLAKIYCOMIC-UHFFFAOYSA-N 2 2 331.395 1.821 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001034794628 711111775 /nfs/dbraw/zinc/11/17/75/711111775.db2.gz LLVOHIUSZLEILJ-CQDKDKBSSA-N 2 2 346.435 1.661 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC001003967222 711137672 /nfs/dbraw/zinc/13/76/72/711137672.db2.gz JTNCYICZKMPLSV-QAPCUYQASA-N 2 2 347.507 1.621 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001034799946 711138641 /nfs/dbraw/zinc/13/86/41/711138641.db2.gz UNRSLBLWZJHVBY-WKILWMFISA-N 2 2 343.431 1.504 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003977925 711152032 /nfs/dbraw/zinc/15/20/32/711152032.db2.gz ZSZJSFLBAHPROA-GJZGRUSLSA-N 2 2 331.464 1.460 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003977925 711152037 /nfs/dbraw/zinc/15/20/37/711152037.db2.gz ZSZJSFLBAHPROA-GJZGRUSLSA-N 2 2 331.464 1.460 20 0 EDADLP CCc1nc(C)c(C[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC001003975413 711172712 /nfs/dbraw/zinc/17/27/12/711172712.db2.gz MCNCGJVHHSCRJR-UHFFFAOYSA-N 2 2 345.447 1.602 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001034883309 711285368 /nfs/dbraw/zinc/28/53/68/711285368.db2.gz QKSGLHITAUAHFB-ZIAGYGMSSA-N 2 2 335.452 1.197 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001034883309 711285369 /nfs/dbraw/zinc/28/53/69/711285369.db2.gz QKSGLHITAUAHFB-ZIAGYGMSSA-N 2 2 335.452 1.197 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]ccn32)on1 ZINC001034958146 711431184 /nfs/dbraw/zinc/43/11/84/711431184.db2.gz BLEXFNJQAIHCLI-ZBFHGGJFSA-N 2 2 343.431 1.838 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922509242 711638347 /nfs/dbraw/zinc/63/83/47/711638347.db2.gz CZJHXHNBYAJACE-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922509242 711638348 /nfs/dbraw/zinc/63/83/48/711638348.db2.gz CZJHXHNBYAJACE-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609981 712063602 /nfs/dbraw/zinc/06/36/02/712063602.db2.gz MAPDUTXZVARVDA-CRAIPNDOSA-N 2 2 348.491 1.437 20 0 EDADLP C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609981 712063604 /nfs/dbraw/zinc/06/36/04/712063604.db2.gz MAPDUTXZVARVDA-CRAIPNDOSA-N 2 2 348.491 1.437 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCc4[nH+]ccn43)C2)on1 ZINC001033154324 712165010 /nfs/dbraw/zinc/16/50/10/712165010.db2.gz ZSHHHAQVCNGVRU-GOEBONIOSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCc4[nH+]ccn43)C2)on1 ZINC001033154324 712165012 /nfs/dbraw/zinc/16/50/12/712165012.db2.gz ZSHHHAQVCNGVRU-GOEBONIOSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C(C)C)[nH+]1 ZINC001061542709 712307163 /nfs/dbraw/zinc/30/71/63/712307163.db2.gz OZLRUYJTHZYLPF-CVEARBPZSA-N 2 2 345.491 1.945 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C(C)C)[nH+]1 ZINC001061542709 712307164 /nfs/dbraw/zinc/30/71/64/712307164.db2.gz OZLRUYJTHZYLPF-CVEARBPZSA-N 2 2 345.491 1.945 20 0 EDADLP Cc1nnc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000051236020 214085349 /nfs/dbraw/zinc/08/53/49/214085349.db2.gz QDCGAOPVAGGVDK-UHFFFAOYSA-N 2 2 338.481 1.527 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(O)c1 ZINC000051464037 214094895 /nfs/dbraw/zinc/09/48/95/214094895.db2.gz IRFYGWURFVAPBM-UHFFFAOYSA-N 2 2 331.460 1.989 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H](O)Cn3cccn3)[C@@H](C)C2)s1 ZINC000368963550 282151504 /nfs/dbraw/zinc/15/15/04/282151504.db2.gz BRMZTKVLMURUAG-LXZKKBNFSA-N 2 2 349.504 1.509 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]C[C@@H](O)Cn3cccn3)[C@@H](C)C2)s1 ZINC000368963550 282151505 /nfs/dbraw/zinc/15/15/05/282151505.db2.gz BRMZTKVLMURUAG-LXZKKBNFSA-N 2 2 349.504 1.509 20 0 EDADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022156 529431378 /nfs/dbraw/zinc/43/13/78/529431378.db2.gz XCMPLTATWBMOIL-MOPGFXCFSA-N 2 2 345.487 1.530 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247125571 282212289 /nfs/dbraw/zinc/21/22/89/282212289.db2.gz RZZTYWQGWVKYBY-VYDXJSESSA-N 2 2 349.479 1.475 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000359325407 282257565 /nfs/dbraw/zinc/25/75/65/282257565.db2.gz KUHRSKPXIUQDDE-HYVNUMGLSA-N 2 2 325.497 1.722 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000359325407 282257566 /nfs/dbraw/zinc/25/75/66/282257566.db2.gz KUHRSKPXIUQDDE-HYVNUMGLSA-N 2 2 325.497 1.722 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000559303733 306253632 /nfs/dbraw/zinc/25/36/32/306253632.db2.gz SPGIYPQCDNVYEL-MRXNPFEDSA-N 2 2 349.460 1.041 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000559303733 306253633 /nfs/dbraw/zinc/25/36/33/306253633.db2.gz SPGIYPQCDNVYEL-MRXNPFEDSA-N 2 2 349.460 1.041 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)[N@H+](C)C1 ZINC000329011315 539387775 /nfs/dbraw/zinc/38/77/75/539387775.db2.gz DQEVDUJFMMAJGT-VKJFTORMSA-N 2 2 346.475 1.563 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)[N@@H+](C)C1 ZINC000329011315 539387779 /nfs/dbraw/zinc/38/77/79/539387779.db2.gz DQEVDUJFMMAJGT-VKJFTORMSA-N 2 2 346.475 1.563 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)c[nH+]1 ZINC000101644026 219150844 /nfs/dbraw/zinc/15/08/44/219150844.db2.gz AYIBGPMIIVXELO-HNNXBMFYSA-N 2 2 333.480 1.180 20 0 EDADLP CS(=O)(=O)N1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000323778847 539565448 /nfs/dbraw/zinc/56/54/48/539565448.db2.gz ZMHJZFXERMAQLJ-UHFFFAOYSA-N 2 2 338.477 1.064 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC[C@@H]([NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000334031048 539665480 /nfs/dbraw/zinc/66/54/80/539665480.db2.gz LAENQPFSSQVNJB-YESZJQIVSA-N 2 2 345.491 1.748 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000342978562 539768916 /nfs/dbraw/zinc/76/89/16/539768916.db2.gz RCFFMWGYXOMIJA-OWCLPIDISA-N 2 2 349.479 1.139 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[N@H+](C)C1 ZINC000344410095 539808002 /nfs/dbraw/zinc/80/80/02/539808002.db2.gz ZANNTCRWTQEERV-IRXDYDNUSA-N 2 2 349.500 1.893 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[N@@H+](C)C1 ZINC000344410095 539808007 /nfs/dbraw/zinc/80/80/07/539808007.db2.gz ZANNTCRWTQEERV-IRXDYDNUSA-N 2 2 349.500 1.893 20 0 EDADLP Cc1cc(N2CC[NH+](CCCC(=O)N(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000562358104 306296452 /nfs/dbraw/zinc/29/64/52/306296452.db2.gz NUVBJELNDROMQJ-UHFFFAOYSA-N 2 2 333.480 1.899 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000562789124 306308961 /nfs/dbraw/zinc/30/89/61/306308961.db2.gz LYGPWVQKVXPYNZ-GDBMZVCRSA-N 2 2 331.464 1.869 20 0 EDADLP CO[C@@]1(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)CCOC1 ZINC000359662472 539993357 /nfs/dbraw/zinc/99/33/57/539993357.db2.gz HIAQSLXHMVAQLP-GOSISDBHSA-N 2 2 326.481 1.664 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166114654 540075595 /nfs/dbraw/zinc/07/55/95/540075595.db2.gz DMAYSUGEVZDANV-ZWKOTPCHSA-N 3 2 344.507 1.205 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166114654 540075597 /nfs/dbraw/zinc/07/55/97/540075597.db2.gz DMAYSUGEVZDANV-ZWKOTPCHSA-N 3 2 344.507 1.205 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000290417166 540089604 /nfs/dbraw/zinc/08/96/04/540089604.db2.gz NGWUAKGXFYLEJI-UHFFFAOYSA-N 2 2 343.431 1.617 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000563352330 306329196 /nfs/dbraw/zinc/32/91/96/306329196.db2.gz CAKXVSQEWZDJHI-YJBOKZPZSA-N 2 2 349.475 1.403 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000563352330 306329197 /nfs/dbraw/zinc/32/91/97/306329197.db2.gz CAKXVSQEWZDJHI-YJBOKZPZSA-N 2 2 349.475 1.403 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000563559294 306338844 /nfs/dbraw/zinc/33/88/44/306338844.db2.gz UFBBTPPYNSUXHD-ROUUACIJSA-N 3 2 347.507 1.354 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000563559294 306338845 /nfs/dbraw/zinc/33/88/45/306338845.db2.gz UFBBTPPYNSUXHD-ROUUACIJSA-N 3 2 347.507 1.354 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000076983861 138250947 /nfs/dbraw/zinc/25/09/47/138250947.db2.gz QMUCEBXFDKDZIG-INIZCTEOSA-N 2 2 343.475 1.930 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000076983861 138250948 /nfs/dbraw/zinc/25/09/48/138250948.db2.gz QMUCEBXFDKDZIG-INIZCTEOSA-N 2 2 343.475 1.930 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000084695065 138270148 /nfs/dbraw/zinc/27/01/48/138270148.db2.gz LBZBWWIEKSWQOO-IRXDYDNUSA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000084695065 138270149 /nfs/dbraw/zinc/27/01/49/138270149.db2.gz LBZBWWIEKSWQOO-IRXDYDNUSA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000084695065 138270150 /nfs/dbraw/zinc/27/01/50/138270150.db2.gz LBZBWWIEKSWQOO-IRXDYDNUSA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000084695065 138270151 /nfs/dbraw/zinc/27/01/51/138270151.db2.gz LBZBWWIEKSWQOO-IRXDYDNUSA-N 2 2 325.497 1.726 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)[C@H]1c1ccccc1 ZINC000413394025 304059683 /nfs/dbraw/zinc/05/96/83/304059683.db2.gz AJUKCEJMYVHILX-XWTMOSNGSA-N 2 2 344.459 1.156 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)[C@H]1c1ccccc1 ZINC000413394025 304059685 /nfs/dbraw/zinc/05/96/85/304059685.db2.gz AJUKCEJMYVHILX-XWTMOSNGSA-N 2 2 344.459 1.156 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)[C@H]1c1ccccc1 ZINC000413394025 304059687 /nfs/dbraw/zinc/05/96/87/304059687.db2.gz AJUKCEJMYVHILX-XWTMOSNGSA-N 2 2 344.459 1.156 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)[C@H]1c1ccccc1 ZINC000413394025 304059689 /nfs/dbraw/zinc/05/96/89/304059689.db2.gz AJUKCEJMYVHILX-XWTMOSNGSA-N 2 2 344.459 1.156 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3cn4cccnc4n3)CC2)CC1 ZINC000112358530 138309059 /nfs/dbraw/zinc/30/90/59/138309059.db2.gz OFEZWFHWBOGTMF-UHFFFAOYSA-N 2 2 342.491 1.721 20 0 EDADLP CC[C@@H](C)[C@@H](O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114949614 138310921 /nfs/dbraw/zinc/31/09/21/138310921.db2.gz AMFSVOPBJYMTNW-PBHICJAKSA-N 2 2 340.512 1.251 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc2ncsc2c1 ZINC000563595252 306340727 /nfs/dbraw/zinc/34/07/27/306340727.db2.gz VYAOVJKWEFTWDT-YPMHNXCESA-N 2 2 333.461 1.642 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc2ncsc2c1 ZINC000563595252 306340728 /nfs/dbraw/zinc/34/07/28/306340728.db2.gz VYAOVJKWEFTWDT-YPMHNXCESA-N 2 2 333.461 1.642 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)[NH+]1CCSCC1 ZINC000131261604 138355974 /nfs/dbraw/zinc/35/59/74/138355974.db2.gz DJNQPAYMKCRXIX-HUUCEWRRSA-N 2 2 334.489 1.604 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000563617366 306342339 /nfs/dbraw/zinc/34/23/39/306342339.db2.gz BQCRLCBRDPMVQB-YXJHDRRASA-N 2 2 334.460 1.788 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000563617366 306342340 /nfs/dbraw/zinc/34/23/40/306342340.db2.gz BQCRLCBRDPMVQB-YXJHDRRASA-N 2 2 334.460 1.788 20 0 EDADLP C[NH+](C)CC1(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CCCC1 ZINC000413467444 304062312 /nfs/dbraw/zinc/06/23/12/304062312.db2.gz ZULFUPUANWUKBJ-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CCOCC1 ZINC000133737371 138398040 /nfs/dbraw/zinc/39/80/40/138398040.db2.gz REHHOBOLGGMJSD-MRXNPFEDSA-N 2 2 333.480 1.393 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000362732421 283254381 /nfs/dbraw/zinc/25/43/81/283254381.db2.gz BLISRYGDMFUHKG-WMZOPIPTSA-N 2 2 344.459 1.289 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000362732421 283254384 /nfs/dbraw/zinc/25/43/84/283254384.db2.gz BLISRYGDMFUHKG-WMZOPIPTSA-N 2 2 344.459 1.289 20 0 EDADLP CC[NH2+]CCCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000564064945 306354745 /nfs/dbraw/zinc/35/47/45/306354745.db2.gz YOQCUAUBWCGAKJ-CQSZACIVSA-N 2 2 335.452 1.072 20 0 EDADLP C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177141795 138724048 /nfs/dbraw/zinc/72/40/48/138724048.db2.gz LEIIVXWJHHKELE-OXQOHEQNSA-N 2 2 347.503 1.683 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000564727027 306364015 /nfs/dbraw/zinc/36/40/15/306364015.db2.gz UUJLQWSWJCLVQG-RYRKJORJSA-N 2 2 348.491 1.793 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000564793654 306364997 /nfs/dbraw/zinc/36/49/97/306364997.db2.gz YZVICFGHWRJEBK-WDYCEAGBSA-N 2 2 336.476 1.824 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@@H]2C2CCC2)CC1 ZINC000564898929 306368807 /nfs/dbraw/zinc/36/88/07/306368807.db2.gz RAFMQFAOCNLDQN-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP COc1cccc(F)c1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000186190344 138813910 /nfs/dbraw/zinc/81/39/10/138813910.db2.gz SIAFKUMKJHJJQB-UHFFFAOYSA-N 2 2 338.427 1.982 20 0 EDADLP O[C@H](C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)Cn1cccn1 ZINC000565712098 306389482 /nfs/dbraw/zinc/38/94/82/306389482.db2.gz LUQLSLKEVTZYSP-QGZVFWFLSA-N 2 2 336.480 1.116 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000565892756 306394231 /nfs/dbraw/zinc/39/42/31/306394231.db2.gz QNOLSPQYYQHICW-HNNXBMFYSA-N 2 2 337.439 1.899 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000565892756 306394232 /nfs/dbraw/zinc/39/42/32/306394232.db2.gz QNOLSPQYYQHICW-HNNXBMFYSA-N 2 2 337.439 1.899 20 0 EDADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000565895077 306394307 /nfs/dbraw/zinc/39/43/07/306394307.db2.gz PCVLDDKHBGEKQC-MNOVXSKESA-N 2 2 341.253 1.842 20 0 EDADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000565895077 306394308 /nfs/dbraw/zinc/39/43/08/306394308.db2.gz PCVLDDKHBGEKQC-MNOVXSKESA-N 2 2 341.253 1.842 20 0 EDADLP CS(=O)(=O)c1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000414771301 304139064 /nfs/dbraw/zinc/13/90/64/304139064.db2.gz PFCASCPPALWPRM-ZDUSSCGKSA-N 2 2 328.503 1.973 20 0 EDADLP COc1ccc([C@@H](NC(=O)NC[C@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000566727227 306426385 /nfs/dbraw/zinc/42/63/85/306426385.db2.gz CTOGDVPGLGGNAD-GDBMZVCRSA-N 2 2 343.431 1.569 20 0 EDADLP C[NH+](C)CCOc1cnccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000566996782 306435184 /nfs/dbraw/zinc/43/51/84/306435184.db2.gz MKEYAYSNSXYINQ-UHFFFAOYSA-N 3 2 332.492 1.986 20 0 EDADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000415090102 304158563 /nfs/dbraw/zinc/15/85/63/304158563.db2.gz ZWXYSWZSIWGUJJ-SFHVURJKSA-N 3 2 335.492 1.861 20 0 EDADLP CC(C)(C)[NH2+]CC[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000415096901 304159508 /nfs/dbraw/zinc/15/95/08/304159508.db2.gz BYWUGGUSCMPRLA-UHFFFAOYSA-N 2 2 325.478 1.704 20 0 EDADLP CCn1cc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000415135806 304163189 /nfs/dbraw/zinc/16/31/89/304163189.db2.gz QSHOZMFJDXXOTF-UHFFFAOYSA-N 3 2 327.476 1.986 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000195157164 139008219 /nfs/dbraw/zinc/00/82/19/139008219.db2.gz LWAAATWHUAIOCF-KRWDZBQOSA-N 2 2 329.444 1.360 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000236905031 139034741 /nfs/dbraw/zinc/03/47/41/139034741.db2.gz SFJOJJYTOIZYDE-HNNXBMFYSA-N 2 2 333.432 1.098 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CC23CC[NH2+]CC3)([NH+]2CCCCC2)CC1 ZINC000237065433 139039687 /nfs/dbraw/zinc/03/96/87/139039687.db2.gz ANGDYCHNJMJMCC-QGZVFWFLSA-N 3 2 348.535 1.443 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110690831 220056962 /nfs/dbraw/zinc/05/69/62/220056962.db2.gz AIBOSTMNEAPHLS-INIZCTEOSA-N 2 2 333.476 1.979 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110690831 220056964 /nfs/dbraw/zinc/05/69/64/220056964.db2.gz AIBOSTMNEAPHLS-INIZCTEOSA-N 2 2 333.476 1.979 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237428922 139050960 /nfs/dbraw/zinc/05/09/60/139050960.db2.gz ZLRNANKCGKKOKE-CJNGLKHVSA-N 2 2 337.851 1.534 20 0 EDADLP O=C([C@H]1COCC[NH2+]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000237673540 139057773 /nfs/dbraw/zinc/05/77/73/139057773.db2.gz DLQBPUJARKDMQA-MRXNPFEDSA-N 2 2 337.851 1.363 20 0 EDADLP O=C([C@H]1COCC[NH2+]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000237673540 139057774 /nfs/dbraw/zinc/05/77/74/139057774.db2.gz DLQBPUJARKDMQA-MRXNPFEDSA-N 2 2 337.851 1.363 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237759695 139059840 /nfs/dbraw/zinc/05/98/40/139059840.db2.gz WSKKUJDHUIYPNT-OAHLLOKOSA-N 2 2 330.432 1.620 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237893450 139062995 /nfs/dbraw/zinc/06/29/95/139062995.db2.gz XAQCCOMHYXZXHK-KRWDZBQOSA-N 2 2 338.455 1.980 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000081223847 217370909 /nfs/dbraw/zinc/37/09/09/217370909.db2.gz XLMBVWDVLTXWHY-MOTZXUDYSA-N 2 2 329.444 1.175 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000081223847 217370912 /nfs/dbraw/zinc/37/09/12/217370912.db2.gz XLMBVWDVLTXWHY-MOTZXUDYSA-N 2 2 329.444 1.175 20 0 EDADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237994165 139066073 /nfs/dbraw/zinc/06/60/73/139066073.db2.gz RMRKGWAJAVEVOO-UHFFFAOYSA-N 2 2 337.387 1.845 20 0 EDADLP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000111858434 220211096 /nfs/dbraw/zinc/21/10/96/220211096.db2.gz IRMDILXMSLPVRA-CABCVRRESA-N 2 2 326.485 1.268 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000245440374 139075072 /nfs/dbraw/zinc/07/50/72/139075072.db2.gz UMMSUHAENRSZRC-QZTJIDSGSA-N 2 2 330.476 1.315 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000245440374 139075073 /nfs/dbraw/zinc/07/50/73/139075073.db2.gz UMMSUHAENRSZRC-QZTJIDSGSA-N 2 2 330.476 1.315 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245523551 139077934 /nfs/dbraw/zinc/07/79/34/139077934.db2.gz DJBIVABDAYCVCU-HOTGVXAUSA-N 2 2 331.464 1.644 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245523551 139077935 /nfs/dbraw/zinc/07/79/35/139077935.db2.gz DJBIVABDAYCVCU-HOTGVXAUSA-N 2 2 331.464 1.644 20 0 EDADLP C[C@@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000245573941 139079824 /nfs/dbraw/zinc/07/98/24/139079824.db2.gz AJNFGOPRKCCXSK-OAGGEKHMSA-N 2 2 340.493 1.438 20 0 EDADLP C[C@@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000245573941 139079825 /nfs/dbraw/zinc/07/98/25/139079825.db2.gz AJNFGOPRKCCXSK-OAGGEKHMSA-N 2 2 340.493 1.438 20 0 EDADLP COCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245690319 139083149 /nfs/dbraw/zinc/08/31/49/139083149.db2.gz JMCJYQQHJRANFX-DLBZAZTESA-N 2 2 325.497 1.819 20 0 EDADLP COCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245690319 139083150 /nfs/dbraw/zinc/08/31/50/139083150.db2.gz JMCJYQQHJRANFX-DLBZAZTESA-N 2 2 325.497 1.819 20 0 EDADLP CN(C(=O)c1cnccn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245717109 139084216 /nfs/dbraw/zinc/08/42/16/139084216.db2.gz OXFKBWGVERSAMO-ZWKOTPCHSA-N 2 2 345.491 1.886 20 0 EDADLP CN(C(=O)c1cnccn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245717109 139084217 /nfs/dbraw/zinc/08/42/17/139084217.db2.gz OXFKBWGVERSAMO-ZWKOTPCHSA-N 2 2 345.491 1.886 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3)C2)CC1 ZINC000245908702 139089358 /nfs/dbraw/zinc/08/93/58/139089358.db2.gz ILBQDQABGYHVNN-AEFFLSMTSA-N 2 2 330.476 1.725 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3)C2)CC1 ZINC000245908702 139089359 /nfs/dbraw/zinc/08/93/59/139089359.db2.gz ILBQDQABGYHVNN-AEFFLSMTSA-N 2 2 330.476 1.725 20 0 EDADLP Cc1ccc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)[nH+]1 ZINC000415288820 304186537 /nfs/dbraw/zinc/18/65/37/304186537.db2.gz YLGIMGNHWKUNLW-CYBMUJFWSA-N 2 2 345.369 1.656 20 0 EDADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246395795 139106877 /nfs/dbraw/zinc/10/68/77/139106877.db2.gz LIZKNZOOPLZEIG-LNLFQRSKSA-N 2 2 345.487 1.701 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000415299127 304188439 /nfs/dbraw/zinc/18/84/39/304188439.db2.gz HOLBNNLFJNMOAH-HIFRSBDPSA-N 2 2 333.436 1.476 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cn1 ZINC000246595699 139114384 /nfs/dbraw/zinc/11/43/84/139114384.db2.gz FZCDDICSWUWMMG-RDJZCZTQSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cn1 ZINC000246595699 139114385 /nfs/dbraw/zinc/11/43/85/139114385.db2.gz FZCDDICSWUWMMG-RDJZCZTQSA-N 2 2 331.464 1.333 20 0 EDADLP C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247002283 139130610 /nfs/dbraw/zinc/13/06/10/139130610.db2.gz DAYMPGPNSSDYEE-DOTOQJQBSA-N 2 2 348.472 1.745 20 0 EDADLP C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247002283 139130611 /nfs/dbraw/zinc/13/06/11/139130611.db2.gz DAYMPGPNSSDYEE-DOTOQJQBSA-N 2 2 348.472 1.745 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000247375655 139146342 /nfs/dbraw/zinc/14/63/42/139146342.db2.gz SOMSMKIHCKPOTI-OAGGEKHMSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000247375655 139146343 /nfs/dbraw/zinc/14/63/43/139146343.db2.gz SOMSMKIHCKPOTI-OAGGEKHMSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000247469130 139149499 /nfs/dbraw/zinc/14/94/99/139149499.db2.gz VBYXTCOPNGNCDH-FPCVCCKLSA-N 2 2 326.485 1.124 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000247469130 139149500 /nfs/dbraw/zinc/14/95/00/139149500.db2.gz VBYXTCOPNGNCDH-FPCVCCKLSA-N 2 2 326.485 1.124 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248168112 139158880 /nfs/dbraw/zinc/15/88/80/139158880.db2.gz UEWRFUCBWNQLEN-GGPKGHCWSA-N 3 2 345.535 1.518 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248168112 139158881 /nfs/dbraw/zinc/15/88/81/139158881.db2.gz UEWRFUCBWNQLEN-GGPKGHCWSA-N 3 2 345.535 1.518 20 0 EDADLP CC[C@@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000248548347 139167163 /nfs/dbraw/zinc/16/71/63/139167163.db2.gz JWKYZQQZSFDXOJ-BSLJZLGVSA-N 2 2 349.519 1.961 20 0 EDADLP CC[C@@H]1C[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000248548347 139167164 /nfs/dbraw/zinc/16/71/64/139167164.db2.gz JWKYZQQZSFDXOJ-BSLJZLGVSA-N 2 2 349.519 1.961 20 0 EDADLP C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249360232 139191794 /nfs/dbraw/zinc/19/17/94/139191794.db2.gz SJBZNVXKDXTISZ-SWHMAYCHSA-N 2 2 339.505 1.104 20 0 EDADLP C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249360232 139191795 /nfs/dbraw/zinc/19/17/95/139191795.db2.gz SJBZNVXKDXTISZ-SWHMAYCHSA-N 2 2 339.505 1.104 20 0 EDADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000261618428 139211664 /nfs/dbraw/zinc/21/16/64/139211664.db2.gz FUSPYKQDFPMHCP-RCCFBDPRSA-N 2 2 334.508 1.147 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000261629523 139212562 /nfs/dbraw/zinc/21/25/62/139212562.db2.gz BWQIEPQCYKSPEL-NSHDSACASA-N 2 2 341.839 1.254 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000261629523 139212563 /nfs/dbraw/zinc/21/25/63/139212563.db2.gz BWQIEPQCYKSPEL-NSHDSACASA-N 2 2 341.839 1.254 20 0 EDADLP C[C@@H]([NH3+])CC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000261637343 139213297 /nfs/dbraw/zinc/21/32/97/139213297.db2.gz AMHPOXWGYGGRDG-GFCCVEGCSA-N 2 2 335.839 1.369 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)C1 ZINC000261668613 139215714 /nfs/dbraw/zinc/21/57/14/139215714.db2.gz ABNAWOOMYBCKFL-CVEARBPZSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)C1 ZINC000261668613 139215715 /nfs/dbraw/zinc/21/57/15/139215715.db2.gz ABNAWOOMYBCKFL-CVEARBPZSA-N 2 2 337.851 1.534 20 0 EDADLP COCc1cccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261709342 139219518 /nfs/dbraw/zinc/21/95/18/139219518.db2.gz JVXSARMTITXTBH-UHFFFAOYSA-N 2 2 341.459 1.907 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000261714855 139219993 /nfs/dbraw/zinc/21/99/93/139219993.db2.gz JOCRBLWYUFYNPO-NVXWUHKLSA-N 2 2 341.459 1.354 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)nc(C(C)C)[nH+]1 ZINC000261726736 139220983 /nfs/dbraw/zinc/22/09/83/139220983.db2.gz JRCDHHRZVRKBAO-CABCVRRESA-N 2 2 347.463 1.063 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Br)cc1 ZINC000261736869 139221932 /nfs/dbraw/zinc/22/19/32/139221932.db2.gz LRTMTMQWRLORKI-NEPJUHHUSA-N 2 2 338.249 1.929 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Br)cc1 ZINC000261736869 139221933 /nfs/dbraw/zinc/22/19/33/139221933.db2.gz LRTMTMQWRLORKI-NEPJUHHUSA-N 2 2 338.249 1.929 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1OC(F)(F)F ZINC000261720653 139220344 /nfs/dbraw/zinc/22/03/44/139220344.db2.gz LWAWMJIGSJYGJS-UHFFFAOYSA-N 2 2 331.338 1.449 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1OC(F)(F)F ZINC000261720653 139220345 /nfs/dbraw/zinc/22/03/45/139220345.db2.gz LWAWMJIGSJYGJS-UHFFFAOYSA-N 2 2 331.338 1.449 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261817810 139228694 /nfs/dbraw/zinc/22/86/94/139228694.db2.gz SKUKLCNUPIVLED-RCCFBDPRSA-N 2 2 331.460 1.521 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261817810 139228695 /nfs/dbraw/zinc/22/86/95/139228695.db2.gz SKUKLCNUPIVLED-RCCFBDPRSA-N 2 2 331.460 1.521 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000261819722 139228872 /nfs/dbraw/zinc/22/88/72/139228872.db2.gz HUZNRAYQJFFSEC-KRWDZBQOSA-N 2 2 331.460 1.599 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000261895678 139234887 /nfs/dbraw/zinc/23/48/87/139234887.db2.gz CYVGSYAZLBDJPB-QGZVFWFLSA-N 2 2 345.491 1.071 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@]1(C)CC[NH2+]C1 ZINC000261876215 139233185 /nfs/dbraw/zinc/23/31/85/139233185.db2.gz PXTWDDQOBPVZJH-SFHVURJKSA-N 2 2 333.432 1.718 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@]1(C)CC[NH2+]C1 ZINC000261876215 139233186 /nfs/dbraw/zinc/23/31/86/139233186.db2.gz PXTWDDQOBPVZJH-SFHVURJKSA-N 2 2 333.432 1.718 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261917038 139236768 /nfs/dbraw/zinc/23/67/68/139236768.db2.gz XDUFXAUXAKGIJI-MRXNPFEDSA-N 2 2 331.460 1.729 20 0 EDADLP CN(C)c1cc(NC(=O)NC[C@H]2CCC[NH2+]2)[nH+]cc1Br ZINC000415782241 251026804 /nfs/dbraw/zinc/02/68/04/251026804.db2.gz BBXYEICXJWFBRN-SECBINFHSA-N 2 2 342.241 1.784 20 0 EDADLP [NH3+]CC[C@H](NC(=O)NCCCCNc1cccc[nH+]1)C(F)(F)F ZINC000416007992 251045943 /nfs/dbraw/zinc/04/59/43/251045943.db2.gz NFIZXIVXGJQYEY-NSHDSACASA-N 2 2 333.358 1.853 20 0 EDADLP CO[C@H]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)[C@H](C[NH3+])C1 ZINC000416880810 251117402 /nfs/dbraw/zinc/11/74/02/251117402.db2.gz GRNBKDCMKVLACW-GJZGRUSLSA-N 2 2 345.447 1.492 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000417005289 251127488 /nfs/dbraw/zinc/12/74/88/251127488.db2.gz XSUCCYLOEZGDCA-NJAFHUGGSA-N 2 2 346.475 1.357 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000417016405 251135097 /nfs/dbraw/zinc/13/50/97/251135097.db2.gz GDCJCQNKSGYRQP-RBSFLKMASA-N 2 2 346.466 1.898 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)[C@H](C)[NH3+] ZINC000416998217 251124652 /nfs/dbraw/zinc/12/46/52/251124652.db2.gz YIIJJUBPWSVZJW-YIYPIFLZSA-N 2 2 335.452 1.230 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000262334783 139271104 /nfs/dbraw/zinc/27/11/04/139271104.db2.gz WOKVTBQWBOAJNO-LJQANCHMSA-N 2 2 346.475 1.723 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000262363496 139273262 /nfs/dbraw/zinc/27/32/62/139273262.db2.gz KSJFXIPCACHZKQ-YJBOKZPZSA-N 2 2 331.460 1.340 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000417944564 251317448 /nfs/dbraw/zinc/31/74/48/251317448.db2.gz CMOYQQDUYUHIHX-DFBGVHRSSA-N 2 2 340.855 1.358 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000417944564 251317451 /nfs/dbraw/zinc/31/74/51/251317451.db2.gz CMOYQQDUYUHIHX-DFBGVHRSSA-N 2 2 340.855 1.358 20 0 EDADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418384236 251364375 /nfs/dbraw/zinc/36/43/75/251364375.db2.gz ONIXQVXTXQALKC-KRZKXXONSA-N 2 2 328.460 1.779 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc[nH+]1 ZINC000418710594 251391380 /nfs/dbraw/zinc/39/13/80/251391380.db2.gz DXUNONDHLMNLHS-CABCVRRESA-N 2 2 332.452 1.134 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)cc1F ZINC000262580981 139288165 /nfs/dbraw/zinc/28/81/65/139288165.db2.gz UNRPBSZMQMPCEO-CYBMUJFWSA-N 2 2 335.423 1.334 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000418703304 251387507 /nfs/dbraw/zinc/38/75/07/251387507.db2.gz QVVFNSJYICSEAP-GDBMZVCRSA-N 2 2 326.485 1.256 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000418703304 251387512 /nfs/dbraw/zinc/38/75/12/251387512.db2.gz QVVFNSJYICSEAP-GDBMZVCRSA-N 2 2 326.485 1.256 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000262621226 139290890 /nfs/dbraw/zinc/29/08/90/139290890.db2.gz FBKWXRJLACYHFM-UXLLHSPISA-N 2 2 333.476 1.999 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000262621226 139290891 /nfs/dbraw/zinc/29/08/91/139290891.db2.gz FBKWXRJLACYHFM-UXLLHSPISA-N 2 2 333.476 1.999 20 0 EDADLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000420332285 251677363 /nfs/dbraw/zinc/67/73/63/251677363.db2.gz BEMIYILMURIPHK-UHFFFAOYSA-N 2 2 329.828 1.837 20 0 EDADLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000420332285 251677364 /nfs/dbraw/zinc/67/73/64/251677364.db2.gz BEMIYILMURIPHK-UHFFFAOYSA-N 2 2 329.828 1.837 20 0 EDADLP [NH3+]Cc1cc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)co1 ZINC000262816387 139305689 /nfs/dbraw/zinc/30/56/89/139305689.db2.gz WUFDNCSSTDPCPL-UHFFFAOYSA-N 2 2 346.406 1.429 20 0 EDADLP CCC(CC)C(=O)N1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422713800 251958833 /nfs/dbraw/zinc/95/88/33/251958833.db2.gz HYXRWUYUKDBXRP-QZTJIDSGSA-N 2 2 337.508 1.770 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422881472 252010256 /nfs/dbraw/zinc/01/02/56/252010256.db2.gz NTVNTZGEVSITGW-QAPCUYQASA-N 3 2 330.476 1.162 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422881135 252010517 /nfs/dbraw/zinc/01/05/17/252010517.db2.gz PMQZAMBOWIEJOE-SJLPKXTDSA-N 3 2 331.508 1.844 20 0 EDADLP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422893528 252013482 /nfs/dbraw/zinc/01/34/82/252013482.db2.gz ADGWHZUOSWDPSU-MOPGFXCFSA-N 3 2 333.476 1.484 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422908678 252018927 /nfs/dbraw/zinc/01/89/27/252018927.db2.gz DOUGDDKWNPKHFV-QFBILLFUSA-N 3 2 344.503 1.742 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]([NH3+])CC(C)C)c2)CC1 ZINC000423839576 252087536 /nfs/dbraw/zinc/08/75/36/252087536.db2.gz JEDOGWCQIOKODB-SFHVURJKSA-N 2 2 346.475 1.663 20 0 EDADLP COCC[C@]1(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC[NH2+]C1 ZINC000423849140 252090095 /nfs/dbraw/zinc/09/00/95/252090095.db2.gz RHWBIXSYLGRTBR-GOSISDBHSA-N 2 2 328.416 1.709 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423932183 252105237 /nfs/dbraw/zinc/10/52/37/252105237.db2.gz RUXLGXWISWHOGH-ZNMIVQPWSA-N 2 2 332.448 1.515 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000424146960 252143612 /nfs/dbraw/zinc/14/36/12/252143612.db2.gz QNMNHAJPIWLEOM-CQSZACIVSA-N 2 2 344.463 1.670 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC(=O)N(C)C2CC2)[C@@H]1c1cnn(C)c1 ZINC000364702362 285228045 /nfs/dbraw/zinc/22/80/45/285228045.db2.gz DLTBYAGATBPMTN-HNAYVOBHSA-N 2 2 347.507 1.746 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC(=O)N(C)C2CC2)[C@@H]1c1cnn(C)c1 ZINC000364702362 285228047 /nfs/dbraw/zinc/22/80/47/285228047.db2.gz DLTBYAGATBPMTN-HNAYVOBHSA-N 2 2 347.507 1.746 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC(=O)N(C)C2CC2)[C@@H]1c1cnn(C)c1 ZINC000364702362 285228048 /nfs/dbraw/zinc/22/80/48/285228048.db2.gz DLTBYAGATBPMTN-HNAYVOBHSA-N 2 2 347.507 1.746 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(=O)N(C)C2CC2)[C@@H]1c1cnn(C)c1 ZINC000364702362 285228049 /nfs/dbraw/zinc/22/80/49/285228049.db2.gz DLTBYAGATBPMTN-HNAYVOBHSA-N 2 2 347.507 1.746 20 0 EDADLP CCN1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@H](C)C1=O ZINC000495264997 255276436 /nfs/dbraw/zinc/27/64/36/255276436.db2.gz ZRDAPKONSZTXRV-CVEARBPZSA-N 2 2 344.459 1.567 20 0 EDADLP CCN1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@H](C)C1=O ZINC000495264997 255276437 /nfs/dbraw/zinc/27/64/37/255276437.db2.gz ZRDAPKONSZTXRV-CVEARBPZSA-N 2 2 344.459 1.567 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)CC[C@H]3CCC[NH2+]3)CCCC2)no1 ZINC000494668805 255256963 /nfs/dbraw/zinc/25/69/63/255256963.db2.gz NBRHNGJNJGRJGY-CYBMUJFWSA-N 2 2 335.452 1.549 20 0 EDADLP C[C@@H]([NH3+])CCNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415790463 304272040 /nfs/dbraw/zinc/27/20/40/304272040.db2.gz PFKZBPAQJUGEKW-MRVPVSSYSA-N 2 2 330.230 1.769 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092353 255351538 /nfs/dbraw/zinc/35/15/38/255351538.db2.gz KKLKYNGNNXNBLI-LSDHHAIUSA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092353 255351539 /nfs/dbraw/zinc/35/15/39/255351539.db2.gz KKLKYNGNNXNBLI-LSDHHAIUSA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092353 255351540 /nfs/dbraw/zinc/35/15/40/255351540.db2.gz KKLKYNGNNXNBLI-LSDHHAIUSA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092353 255351541 /nfs/dbraw/zinc/35/15/41/255351541.db2.gz KKLKYNGNNXNBLI-LSDHHAIUSA-N 2 2 329.485 1.630 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496161116 255359318 /nfs/dbraw/zinc/35/93/18/255359318.db2.gz YWYGDNAEZSKITH-MRXNPFEDSA-N 2 2 340.512 1.565 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496161116 255359319 /nfs/dbraw/zinc/35/93/19/255359319.db2.gz YWYGDNAEZSKITH-MRXNPFEDSA-N 2 2 340.512 1.565 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)n1C ZINC000496306797 255378588 /nfs/dbraw/zinc/37/85/88/255378588.db2.gz KAGVZLNTYNLCFW-OAHLLOKOSA-N 2 2 338.452 1.844 20 0 EDADLP CC(C)CO[C@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496345771 255384418 /nfs/dbraw/zinc/38/44/18/255384418.db2.gz OCLZRFPSFPVSKX-FUHWJXTLSA-N 2 2 337.464 1.607 20 0 EDADLP CC(C)CO[C@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496345771 255384419 /nfs/dbraw/zinc/38/44/19/255384419.db2.gz OCLZRFPSFPVSKX-FUHWJXTLSA-N 2 2 337.464 1.607 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CCCCC3)C2)CC1 ZINC000118835131 221192713 /nfs/dbraw/zinc/19/27/13/221192713.db2.gz YIZJTSNJAGPDEJ-FUHWJXTLSA-N 2 2 336.524 1.536 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CCCCC3)C2)CC1 ZINC000118835131 221192716 /nfs/dbraw/zinc/19/27/16/221192716.db2.gz YIZJTSNJAGPDEJ-FUHWJXTLSA-N 2 2 336.524 1.536 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c[nH+]1 ZINC000264085928 139379846 /nfs/dbraw/zinc/37/98/46/139379846.db2.gz DFDFDELLDRJEEN-UHFFFAOYSA-N 2 2 328.420 1.891 20 0 EDADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1[nH+]ccn1C ZINC000264138014 139382354 /nfs/dbraw/zinc/38/23/54/139382354.db2.gz XZZQCEMAFQXGLC-UHFFFAOYSA-N 2 2 342.447 1.802 20 0 EDADLP COC(=O)c1occc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119543676 221344854 /nfs/dbraw/zinc/34/48/54/221344854.db2.gz XTMOOOCWJGZUPB-SJPCQFCGSA-N 2 2 347.459 1.809 20 0 EDADLP COC(=O)c1occc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119543676 221344855 /nfs/dbraw/zinc/34/48/55/221344855.db2.gz XTMOOOCWJGZUPB-SJPCQFCGSA-N 2 2 347.459 1.809 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000119552446 221346802 /nfs/dbraw/zinc/34/68/02/221346802.db2.gz HXGJIRDVTMOCQX-OLZOCXBDSA-N 2 2 334.420 1.265 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000119552446 221346805 /nfs/dbraw/zinc/34/68/05/221346805.db2.gz HXGJIRDVTMOCQX-OLZOCXBDSA-N 2 2 334.420 1.265 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264246727 139389990 /nfs/dbraw/zinc/38/99/90/139389990.db2.gz PTDDWVPCGMVGRI-CRAIPNDOSA-N 2 2 342.443 1.586 20 0 EDADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(-n2cncn2)cc1 ZINC000153343387 533426679 /nfs/dbraw/zinc/42/66/79/533426679.db2.gz SZCWNIUOWMKKAJ-JKSUJKDBSA-N 2 2 329.448 1.886 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1(C)C ZINC000416053036 304287497 /nfs/dbraw/zinc/28/74/97/304287497.db2.gz VCIFGBNNNSNCQM-ZJUUUORDSA-N 2 2 333.358 1.792 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269834753 140003237 /nfs/dbraw/zinc/00/32/37/140003237.db2.gz ACKQPKYTTKWEQI-CQSZACIVSA-N 2 2 326.404 1.467 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[C@H]1O ZINC000270124480 140048368 /nfs/dbraw/zinc/04/83/68/140048368.db2.gz NXLFUXNYWCCDNC-RBUKOAKNSA-N 2 2 345.487 1.424 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[C@H]1O ZINC000270124480 140048369 /nfs/dbraw/zinc/04/83/69/140048369.db2.gz NXLFUXNYWCCDNC-RBUKOAKNSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000416297162 304304928 /nfs/dbraw/zinc/30/49/28/304304928.db2.gz PHTCHOLGYHLCEJ-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000416297162 304304930 /nfs/dbraw/zinc/30/49/30/304304930.db2.gz PHTCHOLGYHLCEJ-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000416297162 304304932 /nfs/dbraw/zinc/30/49/32/304304932.db2.gz PHTCHOLGYHLCEJ-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000416297162 304304935 /nfs/dbraw/zinc/30/49/35/304304935.db2.gz PHTCHOLGYHLCEJ-IXDOHACOSA-N 2 2 345.487 1.347 20 0 EDADLP COc1cccc(COC[C@@H](O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000271703353 140336579 /nfs/dbraw/zinc/33/65/79/140336579.db2.gz NXFARABOWGGKSE-KRWDZBQOSA-N 2 2 333.432 1.791 20 0 EDADLP COc1cccc(COC[C@@H](O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000271703353 140336581 /nfs/dbraw/zinc/33/65/81/140336581.db2.gz NXFARABOWGGKSE-KRWDZBQOSA-N 2 2 333.432 1.791 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000332056977 141116148 /nfs/dbraw/zinc/11/61/48/141116148.db2.gz NVMMAWOMUVFSCU-GDBMZVCRSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000332056977 141116150 /nfs/dbraw/zinc/11/61/50/141116150.db2.gz NVMMAWOMUVFSCU-GDBMZVCRSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000333264811 141289788 /nfs/dbraw/zinc/28/97/88/141289788.db2.gz JIWWLUYIPDHDCL-OWCLPIDISA-N 2 2 344.459 1.517 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000333298069 141294912 /nfs/dbraw/zinc/29/49/12/141294912.db2.gz BKDDKWSVAIZPHJ-QGZVFWFLSA-N 2 2 327.432 1.922 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000333298069 141294913 /nfs/dbraw/zinc/29/49/13/141294913.db2.gz BKDDKWSVAIZPHJ-QGZVFWFLSA-N 2 2 327.432 1.922 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333507728 141328511 /nfs/dbraw/zinc/32/85/11/141328511.db2.gz FCEMTQLKJDZTQN-OAHLLOKOSA-N 2 2 331.464 1.751 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333581970 141340373 /nfs/dbraw/zinc/34/03/73/141340373.db2.gz AYXHDCOSUAFRME-CABCVRRESA-N 2 2 338.496 1.412 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CCC4(CC[NH2+]C4)CC3)cn2c1 ZINC000333779902 141380201 /nfs/dbraw/zinc/38/02/01/141380201.db2.gz KSOXIONSBIVWTH-UHFFFAOYSA-N 2 2 327.432 1.928 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)cn2cc[nH+]c12 ZINC000339842228 142174125 /nfs/dbraw/zinc/17/41/25/142174125.db2.gz CIOZYDBMDKRNIY-UHFFFAOYSA-N 2 2 338.371 1.205 20 0 EDADLP COCCN(CC(C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340248137 142318887 /nfs/dbraw/zinc/31/88/87/142318887.db2.gz BZGJNEYNURWEKN-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C[NH+]1CCCC1 ZINC000340257537 142322112 /nfs/dbraw/zinc/32/21/12/142322112.db2.gz XKDPSBPUMSDCHJ-MRXNPFEDSA-N 3 2 339.528 1.044 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000340269378 142326032 /nfs/dbraw/zinc/32/60/32/142326032.db2.gz UWWUTHRHYHVECY-AWEZNQCLSA-N 2 2 347.463 1.106 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000340269378 142326034 /nfs/dbraw/zinc/32/60/34/142326034.db2.gz UWWUTHRHYHVECY-AWEZNQCLSA-N 2 2 347.463 1.106 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)COCC(F)F ZINC000345157463 143058995 /nfs/dbraw/zinc/05/89/95/143058995.db2.gz LGQWUEWNZKAJLH-UHFFFAOYSA-N 2 2 349.466 1.779 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)COCC(F)F ZINC000345157463 143058996 /nfs/dbraw/zinc/05/89/96/143058996.db2.gz LGQWUEWNZKAJLH-UHFFFAOYSA-N 2 2 349.466 1.779 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000346128056 143170659 /nfs/dbraw/zinc/17/06/59/143170659.db2.gz DERDIBSCDDMHQT-UHFFFAOYSA-N 2 2 349.460 1.043 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000346128056 143170660 /nfs/dbraw/zinc/17/06/60/143170660.db2.gz DERDIBSCDDMHQT-UHFFFAOYSA-N 2 2 349.460 1.043 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000346291501 143187731 /nfs/dbraw/zinc/18/77/31/143187731.db2.gz IHOGIFFMVGZGIM-LJQANCHMSA-N 2 2 345.491 1.186 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000346291501 143187732 /nfs/dbraw/zinc/18/77/32/143187732.db2.gz IHOGIFFMVGZGIM-LJQANCHMSA-N 2 2 345.491 1.186 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](F)C[C@H]3CO)CC2)c1 ZINC000346346692 143194634 /nfs/dbraw/zinc/19/46/34/143194634.db2.gz ARROIACXCSZRCD-ROUUACIJSA-N 2 2 349.450 1.044 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](F)C[C@H]3CO)CC2)c1 ZINC000346346692 143194635 /nfs/dbraw/zinc/19/46/35/143194635.db2.gz ARROIACXCSZRCD-ROUUACIJSA-N 2 2 349.450 1.044 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000346547213 143215603 /nfs/dbraw/zinc/21/56/03/143215603.db2.gz VQCQWKCRLVXJKR-HOTGVXAUSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000346547213 143215604 /nfs/dbraw/zinc/21/56/04/143215604.db2.gz VQCQWKCRLVXJKR-HOTGVXAUSA-N 2 2 331.460 1.270 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCO1 ZINC000346663055 143228406 /nfs/dbraw/zinc/22/84/06/143228406.db2.gz WFGYSBZHDDSLBJ-BRWVUGGUSA-N 2 2 346.475 1.381 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCO1 ZINC000346663055 143228407 /nfs/dbraw/zinc/22/84/07/143228407.db2.gz WFGYSBZHDDSLBJ-BRWVUGGUSA-N 2 2 346.475 1.381 20 0 EDADLP CCCOc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1OC ZINC000347025563 143273261 /nfs/dbraw/zinc/27/32/61/143273261.db2.gz SPWJKSJSBPKZNA-UHFFFAOYSA-N 2 2 335.448 1.348 20 0 EDADLP CCCOc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1OC ZINC000347025563 143273262 /nfs/dbraw/zinc/27/32/62/143273262.db2.gz SPWJKSJSBPKZNA-UHFFFAOYSA-N 2 2 335.448 1.348 20 0 EDADLP Cc1ccc(-c2ncc(C[N@H+](C)CC(=O)N3CC[NH2+]CC3)s2)o1 ZINC000347141375 143286872 /nfs/dbraw/zinc/28/68/72/143286872.db2.gz WHDRSJPBSPRGIG-UHFFFAOYSA-N 2 2 334.445 1.575 20 0 EDADLP Cc1ccc(-c2ncc(C[N@@H+](C)CC(=O)N3CC[NH2+]CC3)s2)o1 ZINC000347141375 143286873 /nfs/dbraw/zinc/28/68/73/143286873.db2.gz WHDRSJPBSPRGIG-UHFFFAOYSA-N 2 2 334.445 1.575 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000347165110 143289838 /nfs/dbraw/zinc/28/98/38/143289838.db2.gz YKTGEDBGOFBDNL-WOSRLPQWSA-N 2 2 325.478 1.586 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000347165110 143289839 /nfs/dbraw/zinc/28/98/39/143289839.db2.gz YKTGEDBGOFBDNL-WOSRLPQWSA-N 2 2 325.478 1.586 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000347322663 143308330 /nfs/dbraw/zinc/30/83/30/143308330.db2.gz PRGOFXCYWUDDQW-MAUKXSAKSA-N 2 2 340.512 1.070 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000347322663 143308331 /nfs/dbraw/zinc/30/83/31/143308331.db2.gz PRGOFXCYWUDDQW-MAUKXSAKSA-N 2 2 340.512 1.070 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000347511945 143330591 /nfs/dbraw/zinc/33/05/91/143330591.db2.gz FWWCYNXMVHMISU-RDTXWAMCSA-N 2 2 347.463 1.071 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000347511945 143330592 /nfs/dbraw/zinc/33/05/92/143330592.db2.gz FWWCYNXMVHMISU-RDTXWAMCSA-N 2 2 347.463 1.071 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000347632918 143343523 /nfs/dbraw/zinc/34/35/23/143343523.db2.gz LTSLARDXZUSAHJ-INIZCTEOSA-N 2 2 345.491 1.954 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000347632918 143343524 /nfs/dbraw/zinc/34/35/24/143343524.db2.gz LTSLARDXZUSAHJ-INIZCTEOSA-N 2 2 345.491 1.954 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000347712823 143352886 /nfs/dbraw/zinc/35/28/86/143352886.db2.gz BXGGERSOINMGFV-NVXWUHKLSA-N 2 2 349.475 1.382 20 0 EDADLP C[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCCCC1 ZINC000347783934 143362788 /nfs/dbraw/zinc/36/27/88/143362788.db2.gz AKZGNPIDPBFBSG-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCCCC1 ZINC000347783934 143362789 /nfs/dbraw/zinc/36/27/89/143362789.db2.gz AKZGNPIDPBFBSG-ZACQAIPSSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1nc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc(N(C)C)[nH+]1 ZINC000347878479 143373845 /nfs/dbraw/zinc/37/38/45/143373845.db2.gz MSFFVOWHLGKIPU-UHFFFAOYSA-N 2 2 347.511 1.100 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1ccccc1 ZINC000416797370 304349221 /nfs/dbraw/zinc/34/92/21/304349221.db2.gz APOCIYJVYOXERZ-HUUCEWRRSA-N 2 2 340.418 1.833 20 0 EDADLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)C1(C)C ZINC000369842079 155199385 /nfs/dbraw/zinc/19/93/85/155199385.db2.gz SPDUURVEKLWGST-IRXDYDNUSA-N 2 2 337.508 1.866 20 0 EDADLP CN(C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)C1CC([NH3+])C1 ZINC000416891538 304353671 /nfs/dbraw/zinc/35/36/71/304353671.db2.gz NNKNYVJFYRVTOL-OFLPRAFFSA-N 2 2 332.448 1.191 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416902147 304355104 /nfs/dbraw/zinc/35/51/04/304355104.db2.gz BIZKEMGSQZFPGI-CABCVRRESA-N 2 2 333.411 1.931 20 0 EDADLP [NH3+]CC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000416979261 304359998 /nfs/dbraw/zinc/35/99/98/304359998.db2.gz WWHBYLSBHOMISI-HNNXBMFYSA-N 2 2 331.464 1.952 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354893716 150015784 /nfs/dbraw/zinc/01/57/84/150015784.db2.gz FNNDXUWSWGYUIL-KRWDZBQOSA-N 2 2 346.475 1.470 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354893716 150015786 /nfs/dbraw/zinc/01/57/86/150015786.db2.gz FNNDXUWSWGYUIL-KRWDZBQOSA-N 2 2 346.475 1.470 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000354919136 150032042 /nfs/dbraw/zinc/03/20/42/150032042.db2.gz LSWBHUZMHIFKND-UHFFFAOYSA-N 2 2 347.450 1.315 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c[nH+]1 ZINC000416982028 304361093 /nfs/dbraw/zinc/36/10/93/304361093.db2.gz IECVNGMGCRAHIX-CYBMUJFWSA-N 2 2 341.406 1.724 20 0 EDADLP C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000355135965 150133765 /nfs/dbraw/zinc/13/37/65/150133765.db2.gz FDPAALLOZOWQIW-HZPDHXFCSA-N 2 2 342.443 1.770 20 0 EDADLP [NH3+]CC[C@H](NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C(F)F ZINC000416986002 304361693 /nfs/dbraw/zinc/36/16/93/304361693.db2.gz LUWNYAOXQHNIDP-ZDUSSCGKSA-N 2 2 341.406 1.854 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000355631202 150343870 /nfs/dbraw/zinc/34/38/70/150343870.db2.gz DLFHLDPXICUOAO-RHSMWYFYSA-N 2 2 343.537 1.477 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)no1 ZINC000355700814 150365378 /nfs/dbraw/zinc/36/53/78/150365378.db2.gz KJVDXXVEPZEOJB-INIZCTEOSA-N 2 2 334.395 1.908 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417038467 304364427 /nfs/dbraw/zinc/36/44/27/304364427.db2.gz NKJTXTFOVVGCRU-SOLBZPMBSA-N 2 2 346.475 1.439 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000357349117 151004300 /nfs/dbraw/zinc/00/43/00/151004300.db2.gz AFRUTVKVUHOTBK-JKSUJKDBSA-N 2 2 341.496 1.103 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000357625748 151089822 /nfs/dbraw/zinc/08/98/22/151089822.db2.gz JMOHYJUZGDEFSW-CVEARBPZSA-N 2 2 325.497 1.555 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000357625748 151089824 /nfs/dbraw/zinc/08/98/24/151089824.db2.gz JMOHYJUZGDEFSW-CVEARBPZSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357719635 151124340 /nfs/dbraw/zinc/12/43/40/151124340.db2.gz BZGDAORLSIXUPP-AWEZNQCLSA-N 2 2 348.447 1.112 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357719635 151124342 /nfs/dbraw/zinc/12/43/42/151124342.db2.gz BZGDAORLSIXUPP-AWEZNQCLSA-N 2 2 348.447 1.112 20 0 EDADLP C[N@H+](C[C@H](O)COCc1cccs1)C1CC[NH+](CCO)CC1 ZINC000357725268 151127542 /nfs/dbraw/zinc/12/75/42/151127542.db2.gz WDCGLJYGBJRRJM-HNNXBMFYSA-N 2 2 328.478 1.014 20 0 EDADLP C[N@@H+](C[C@H](O)COCc1cccs1)C1CC[NH+](CCO)CC1 ZINC000357725268 151127544 /nfs/dbraw/zinc/12/75/44/151127544.db2.gz WDCGLJYGBJRRJM-HNNXBMFYSA-N 2 2 328.478 1.014 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000357814733 151160241 /nfs/dbraw/zinc/16/02/41/151160241.db2.gz KGAOXNWPKWTRMA-GOSISDBHSA-N 2 2 333.480 1.213 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000358082730 151264241 /nfs/dbraw/zinc/26/42/41/151264241.db2.gz WZXJNWKARDZNCY-RDJZCZTQSA-N 2 2 336.480 1.143 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000358132575 151283387 /nfs/dbraw/zinc/28/33/87/151283387.db2.gz DITKYFMUZDTJKE-CYBMUJFWSA-N 2 2 342.237 1.437 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000358132575 151283390 /nfs/dbraw/zinc/28/33/90/151283390.db2.gz DITKYFMUZDTJKE-CYBMUJFWSA-N 2 2 342.237 1.437 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1C(C)(C)C1(C)C ZINC000358166164 151293840 /nfs/dbraw/zinc/29/38/40/151293840.db2.gz KRLPRWONZJDYQU-CABCVRRESA-N 2 2 337.508 1.580 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC(C)(C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000358245497 151316650 /nfs/dbraw/zinc/31/66/50/151316650.db2.gz GPHWRQAGQQOCHT-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3n[nH]c4c3CCCCC4)C2)CC1 ZINC000370061826 155308794 /nfs/dbraw/zinc/30/87/94/155308794.db2.gz VYZOQUGXBZANBD-AWEZNQCLSA-N 2 2 345.491 1.577 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3n[nH]c4c3CCCCC4)C2)CC1 ZINC000370061826 155308796 /nfs/dbraw/zinc/30/87/96/155308796.db2.gz VYZOQUGXBZANBD-AWEZNQCLSA-N 2 2 345.491 1.577 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000360777281 152200515 /nfs/dbraw/zinc/20/05/15/152200515.db2.gz KTDKPYXSZNQPST-HNNXBMFYSA-N 2 2 334.464 1.577 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000360873481 152237415 /nfs/dbraw/zinc/23/74/15/152237415.db2.gz PSFZXJHQHLQURO-VXNCWWDNSA-N 2 2 333.476 1.527 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000360873481 152237418 /nfs/dbraw/zinc/23/74/18/152237418.db2.gz PSFZXJHQHLQURO-VXNCWWDNSA-N 2 2 333.476 1.527 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360880633 152240352 /nfs/dbraw/zinc/24/03/52/152240352.db2.gz ZFJQMNUCYJKCGA-OAHLLOKOSA-N 2 2 325.416 1.908 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000360880633 152240353 /nfs/dbraw/zinc/24/03/53/152240353.db2.gz ZFJQMNUCYJKCGA-OAHLLOKOSA-N 2 2 325.416 1.908 20 0 EDADLP C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360897666 152245908 /nfs/dbraw/zinc/24/59/08/152245908.db2.gz NDHKHXNBOUPPQB-WBVHZDCISA-N 2 2 341.496 1.103 20 0 EDADLP Cc1cccc(CNC(=O)C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000360973025 152267437 /nfs/dbraw/zinc/26/74/37/152267437.db2.gz RGQUAYQGTGPNDB-IBGZPJMESA-N 2 2 344.503 1.323 20 0 EDADLP CN(C)c1nc(N(C)C[C@H]2C[C@@H](F)C[N@@H+]2Cc2ccnn2C)cc[nH+]1 ZINC000361001960 152275880 /nfs/dbraw/zinc/27/58/80/152275880.db2.gz KLUUUKOHUPYQJU-UKRRQHHQSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N(C)C[C@H]2C[C@@H](F)C[N@H+]2Cc2ccnn2C)cc[nH+]1 ZINC000361001960 152275882 /nfs/dbraw/zinc/27/58/82/152275882.db2.gz KLUUUKOHUPYQJU-UKRRQHHQSA-N 2 2 347.442 1.325 20 0 EDADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC000361154806 152321231 /nfs/dbraw/zinc/32/12/31/152321231.db2.gz NUFYUIUXMCXUFW-IBGZPJMESA-N 2 2 344.411 1.889 20 0 EDADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC000361154806 152321232 /nfs/dbraw/zinc/32/12/32/152321232.db2.gz NUFYUIUXMCXUFW-IBGZPJMESA-N 2 2 344.411 1.889 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000361168855 152325140 /nfs/dbraw/zinc/32/51/40/152325140.db2.gz ORMWCLPPCIRNCI-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000361168855 152325143 /nfs/dbraw/zinc/32/51/43/152325143.db2.gz ORMWCLPPCIRNCI-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000370143656 155346419 /nfs/dbraw/zinc/34/64/19/155346419.db2.gz XFBMHOGXLFKBAC-DOTOQJQBSA-N 2 2 335.492 1.573 20 0 EDADLP CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCOCC1 ZINC000370143656 155346425 /nfs/dbraw/zinc/34/64/25/155346425.db2.gz XFBMHOGXLFKBAC-DOTOQJQBSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCc2ncnc(N(CC3CC3)C[C@H]3C[N@H+](C)CCO3)c2C1 ZINC000370171351 155362587 /nfs/dbraw/zinc/36/25/87/155362587.db2.gz GAVPGQPSNNGEEM-OAHLLOKOSA-N 2 2 331.464 1.012 20 0 EDADLP C[NH+]1CCc2ncnc(N(CC3CC3)C[C@H]3C[N@@H+](C)CCO3)c2C1 ZINC000370171351 155362590 /nfs/dbraw/zinc/36/25/90/155362590.db2.gz GAVPGQPSNNGEEM-OAHLLOKOSA-N 2 2 331.464 1.012 20 0 EDADLP C[NH+]1CCO[C@@H](CN(CC2CC2)c2ncnc3c2C[N@H+](C)CC3)C1 ZINC000370171351 155362592 /nfs/dbraw/zinc/36/25/92/155362592.db2.gz GAVPGQPSNNGEEM-OAHLLOKOSA-N 2 2 331.464 1.012 20 0 EDADLP C[NH+]1CCO[C@@H](CN(CC2CC2)c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000370171351 155362594 /nfs/dbraw/zinc/36/25/94/155362594.db2.gz GAVPGQPSNNGEEM-OAHLLOKOSA-N 2 2 331.464 1.012 20 0 EDADLP C[C@@H](CNC(=O)[C@@]1([NH+](C)C)CCOc2ccccc21)Cn1cc[nH+]c1 ZINC000363355775 152953740 /nfs/dbraw/zinc/95/37/40/152953740.db2.gz LLTNTUYSMRFEKI-HNAYVOBHSA-N 2 2 342.443 1.875 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000363558727 153000379 /nfs/dbraw/zinc/00/03/79/153000379.db2.gz ULOCMMACVOMKEI-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000363558727 153000381 /nfs/dbraw/zinc/00/03/81/153000381.db2.gz ULOCMMACVOMKEI-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000363558727 153000385 /nfs/dbraw/zinc/00/03/85/153000385.db2.gz ULOCMMACVOMKEI-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000363558727 153000388 /nfs/dbraw/zinc/00/03/88/153000388.db2.gz ULOCMMACVOMKEI-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP Cn1nnnc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000363780259 153054610 /nfs/dbraw/zinc/05/46/10/153054610.db2.gz BVXRPCMFIWNVFW-QGZVFWFLSA-N 2 2 344.463 1.088 20 0 EDADLP Cn1nnnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000363780259 153054613 /nfs/dbraw/zinc/05/46/13/153054613.db2.gz BVXRPCMFIWNVFW-QGZVFWFLSA-N 2 2 344.463 1.088 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCSC3)CC2)CC1 ZINC000363955350 153106292 /nfs/dbraw/zinc/10/62/92/153106292.db2.gz SLGUSAPODOAGBN-AWEZNQCLSA-N 2 2 340.537 1.597 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](Cc3cccc4nccn43)CC2)C(=O)C1 ZINC000364108255 153146205 /nfs/dbraw/zinc/14/62/05/153146205.db2.gz OYVSNGOXLCBLJN-UHFFFAOYSA-N 2 2 327.432 1.073 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](Cc3cccc4nccn43)CC2)C(=O)C1 ZINC000364108255 153146206 /nfs/dbraw/zinc/14/62/06/153146206.db2.gz OYVSNGOXLCBLJN-UHFFFAOYSA-N 2 2 327.432 1.073 20 0 EDADLP COCCN1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1=O ZINC000364470990 153247148 /nfs/dbraw/zinc/24/71/48/153247148.db2.gz FDANPRBSHDCNBL-UHFFFAOYSA-N 2 2 342.443 1.861 20 0 EDADLP COCCN1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1=O ZINC000364470990 153247150 /nfs/dbraw/zinc/24/71/50/153247150.db2.gz FDANPRBSHDCNBL-UHFFFAOYSA-N 2 2 342.443 1.861 20 0 EDADLP COc1cc[nH+]c(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1OC ZINC000364488380 153249597 /nfs/dbraw/zinc/24/95/97/153249597.db2.gz BKBCSNJNFGAUEH-OAHLLOKOSA-N 2 2 348.447 1.013 20 0 EDADLP COc1cc[nH+]c(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1OC ZINC000364488380 153249599 /nfs/dbraw/zinc/24/95/99/153249599.db2.gz BKBCSNJNFGAUEH-OAHLLOKOSA-N 2 2 348.447 1.013 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3ccc(O)cc3)C2)CC1 ZINC000364897184 153363034 /nfs/dbraw/zinc/36/30/34/153363034.db2.gz MGXZERYYKWHULO-RRGWEWPQSA-N 2 2 329.444 1.690 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3ccc(O)cc3)C2)CC1 ZINC000364897184 153363036 /nfs/dbraw/zinc/36/30/36/153363036.db2.gz MGXZERYYKWHULO-RRGWEWPQSA-N 2 2 329.444 1.690 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@H]2C1 ZINC000364928282 153372507 /nfs/dbraw/zinc/37/25/07/153372507.db2.gz GWBXWXOACPOKPK-RYUDHWBXSA-N 2 2 345.369 1.681 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@H]2C1 ZINC000364928282 153372509 /nfs/dbraw/zinc/37/25/09/153372509.db2.gz GWBXWXOACPOKPK-RYUDHWBXSA-N 2 2 345.369 1.681 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000364928281 153373150 /nfs/dbraw/zinc/37/31/50/153373150.db2.gz GWBXWXOACPOKPK-NWDGAFQWSA-N 2 2 345.369 1.681 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000364928281 153373152 /nfs/dbraw/zinc/37/31/52/153373152.db2.gz GWBXWXOACPOKPK-NWDGAFQWSA-N 2 2 345.369 1.681 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3ncnn3C(C)C)CC2)CC1 ZINC000364995968 153394234 /nfs/dbraw/zinc/39/42/34/153394234.db2.gz HBHLSAHLHURNOW-UHFFFAOYSA-N 2 2 334.512 1.851 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000417264975 304388477 /nfs/dbraw/zinc/38/84/77/304388477.db2.gz AXCIZXCQJNIJMF-ZFWWWQNUSA-N 2 2 331.395 1.938 20 0 EDADLP CC(C)(CCC[NH3+])NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000417278927 304389105 /nfs/dbraw/zinc/38/91/05/304389105.db2.gz ZCCGXQAARSOPEU-MRXNPFEDSA-N 2 2 344.525 1.011 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000367090508 154006871 /nfs/dbraw/zinc/00/68/71/154006871.db2.gz ZYOUEBUPUBCBCS-IXDOHACOSA-N 2 2 347.463 1.310 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000367090508 154006873 /nfs/dbraw/zinc/00/68/73/154006873.db2.gz ZYOUEBUPUBCBCS-IXDOHACOSA-N 2 2 347.463 1.310 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000367207713 154041538 /nfs/dbraw/zinc/04/15/38/154041538.db2.gz DKJPQGMGXINKRK-RDJZCZTQSA-N 2 2 332.448 1.743 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000367305993 154074107 /nfs/dbraw/zinc/07/41/07/154074107.db2.gz SUPKMWWMRJMLMW-HNNXBMFYSA-N 2 2 346.479 1.026 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000367305993 154074109 /nfs/dbraw/zinc/07/41/09/154074109.db2.gz SUPKMWWMRJMLMW-HNNXBMFYSA-N 2 2 346.479 1.026 20 0 EDADLP CC1(C)C[NH+](CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000574528514 306652374 /nfs/dbraw/zinc/65/23/74/306652374.db2.gz KNJQHLBTHJBMDD-SFHVURJKSA-N 2 2 345.487 1.388 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000367554009 154173448 /nfs/dbraw/zinc/17/34/48/154173448.db2.gz RCSPICLQZWQHCA-YJBOKZPZSA-N 2 2 346.475 1.326 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000367554009 154173451 /nfs/dbraw/zinc/17/34/51/154173451.db2.gz RCSPICLQZWQHCA-YJBOKZPZSA-N 2 2 346.475 1.326 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367687102 154230685 /nfs/dbraw/zinc/23/06/85/154230685.db2.gz WGOAUSCAITVTCY-AEFFLSMTSA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367687102 154230688 /nfs/dbraw/zinc/23/06/88/154230688.db2.gz WGOAUSCAITVTCY-AEFFLSMTSA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000368025197 154374190 /nfs/dbraw/zinc/37/41/90/154374190.db2.gz VUBUTODSVRCCTF-IRXDYDNUSA-N 2 2 325.497 1.581 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000369514528 155067071 /nfs/dbraw/zinc/06/70/71/155067071.db2.gz BXUCSYTVMBHORU-ZIAGYGMSSA-N 2 2 346.431 1.504 20 0 EDADLP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000369514528 155067074 /nfs/dbraw/zinc/06/70/74/155067074.db2.gz BXUCSYTVMBHORU-ZIAGYGMSSA-N 2 2 346.431 1.504 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600759 155106032 /nfs/dbraw/zinc/10/60/32/155106032.db2.gz VHVHDKKVDGZNBP-ZTFGCOKTSA-N 2 2 349.425 1.997 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600759 155106036 /nfs/dbraw/zinc/10/60/36/155106036.db2.gz VHVHDKKVDGZNBP-ZTFGCOKTSA-N 2 2 349.425 1.997 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600759 155106039 /nfs/dbraw/zinc/10/60/39/155106039.db2.gz VHVHDKKVDGZNBP-ZTFGCOKTSA-N 2 2 349.425 1.997 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600759 155106043 /nfs/dbraw/zinc/10/60/43/155106043.db2.gz VHVHDKKVDGZNBP-ZTFGCOKTSA-N 2 2 349.425 1.997 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000371812289 156116746 /nfs/dbraw/zinc/11/67/46/156116746.db2.gz DCTIYDNKCUPKFE-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000371812289 156116753 /nfs/dbraw/zinc/11/67/53/156116753.db2.gz DCTIYDNKCUPKFE-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP NC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374030740 157114138 /nfs/dbraw/zinc/11/41/38/157114138.db2.gz GWTHYQPTAASFFT-GOSISDBHSA-N 2 2 330.432 1.169 20 0 EDADLP NC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374030740 157114142 /nfs/dbraw/zinc/11/41/42/157114142.db2.gz GWTHYQPTAASFFT-GOSISDBHSA-N 2 2 330.432 1.169 20 0 EDADLP NC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374030740 157114145 /nfs/dbraw/zinc/11/41/45/157114145.db2.gz GWTHYQPTAASFFT-GOSISDBHSA-N 2 2 330.432 1.169 20 0 EDADLP NC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374030740 157114149 /nfs/dbraw/zinc/11/41/49/157114149.db2.gz GWTHYQPTAASFFT-GOSISDBHSA-N 2 2 330.432 1.169 20 0 EDADLP CC[C@@H](C(=O)N1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1)[NH+](C)C ZINC000374276126 157222944 /nfs/dbraw/zinc/22/29/44/157222944.db2.gz XZZPZKLPLHKNGK-INIZCTEOSA-N 2 2 347.507 1.512 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374405877 157278411 /nfs/dbraw/zinc/27/84/11/157278411.db2.gz ZOPZTHMODPMRGT-MRXNPFEDSA-N 2 2 325.416 1.872 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374749877 157386789 /nfs/dbraw/zinc/38/67/89/157386789.db2.gz DMRCKPGQIDHMJW-UHFFFAOYSA-N 3 2 333.480 1.210 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374749877 157386793 /nfs/dbraw/zinc/38/67/93/157386793.db2.gz DMRCKPGQIDHMJW-UHFFFAOYSA-N 3 2 333.480 1.210 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOc3cc(OC)ccc3C2)CC1 ZINC000374775400 157395192 /nfs/dbraw/zinc/39/51/92/157395192.db2.gz JONXSRRGOCAWQT-HNNXBMFYSA-N 2 2 347.459 1.442 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOc3cc(OC)ccc3C2)CC1 ZINC000374775400 157395194 /nfs/dbraw/zinc/39/51/94/157395194.db2.gz JONXSRRGOCAWQT-HNNXBMFYSA-N 2 2 347.459 1.442 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000378113562 158082011 /nfs/dbraw/zinc/08/20/11/158082011.db2.gz LJPWFNLVWOMHJZ-PBHICJAKSA-N 2 2 342.447 1.525 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000378288040 158129731 /nfs/dbraw/zinc/12/97/31/158129731.db2.gz LXCCGWLLQMDGLJ-RDJZCZTQSA-N 2 2 346.475 1.817 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000378288040 158129733 /nfs/dbraw/zinc/12/97/33/158129733.db2.gz LXCCGWLLQMDGLJ-RDJZCZTQSA-N 2 2 346.475 1.817 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000378288040 158129734 /nfs/dbraw/zinc/12/97/34/158129734.db2.gz LXCCGWLLQMDGLJ-RDJZCZTQSA-N 2 2 346.475 1.817 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000378288040 158129736 /nfs/dbraw/zinc/12/97/36/158129736.db2.gz LXCCGWLLQMDGLJ-RDJZCZTQSA-N 2 2 346.475 1.817 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000378494045 158190970 /nfs/dbraw/zinc/19/09/70/158190970.db2.gz KAIFGSVACVLMOR-WBVHZDCISA-N 2 2 335.496 1.872 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000378494045 158190971 /nfs/dbraw/zinc/19/09/71/158190971.db2.gz KAIFGSVACVLMOR-WBVHZDCISA-N 2 2 335.496 1.872 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422711118 286914071 /nfs/dbraw/zinc/91/40/71/286914071.db2.gz GQMASRWRFLITAR-QZTJIDSGSA-N 3 2 331.508 1.844 20 0 EDADLP OC[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1cccnc1 ZINC000352207307 162050661 /nfs/dbraw/zinc/05/06/61/162050661.db2.gz WGICRZWSEZCDOO-CQSZACIVSA-N 2 2 347.382 1.794 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352208164 162050809 /nfs/dbraw/zinc/05/08/09/162050809.db2.gz JZRRXNPULPRHRZ-UHFFFAOYSA-N 2 2 349.479 1.272 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352434712 162180226 /nfs/dbraw/zinc/18/02/26/162180226.db2.gz ZTJVVTWUIJFUMP-GBESFXJTSA-N 2 2 343.471 1.298 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352434712 162180228 /nfs/dbraw/zinc/18/02/28/162180228.db2.gz ZTJVVTWUIJFUMP-GBESFXJTSA-N 2 2 343.471 1.298 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000352451797 162188885 /nfs/dbraw/zinc/18/88/85/162188885.db2.gz YLBROMZMTZAQHR-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP COc1ccc(-c2cnc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000352502911 162215755 /nfs/dbraw/zinc/21/57/55/162215755.db2.gz ACAXOEJXJUPERP-INIZCTEOSA-N 2 2 342.443 1.830 20 0 EDADLP Cc1cccc(-c2noc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000352504032 162217197 /nfs/dbraw/zinc/21/71/97/162217197.db2.gz MKNRODIFPPSAPR-INIZCTEOSA-N 2 2 327.432 1.525 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352512700 162222255 /nfs/dbraw/zinc/22/22/55/162222255.db2.gz ZLPCNXHXVFPRFE-CQSZACIVSA-N 2 2 326.462 1.672 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352512700 162222257 /nfs/dbraw/zinc/22/22/57/162222257.db2.gz ZLPCNXHXVFPRFE-CQSZACIVSA-N 2 2 326.462 1.672 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352526388 162230523 /nfs/dbraw/zinc/23/05/23/162230523.db2.gz NCNMGUDQHGTAAI-XJKSGUPXSA-N 2 2 336.867 1.647 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCOC1 ZINC000356879422 287025506 /nfs/dbraw/zinc/02/55/06/287025506.db2.gz TTXMVUAPJRQGGM-IAGOWNOFSA-N 2 2 333.480 1.393 20 0 EDADLP C[NH+]1CCC(CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000122623854 222125830 /nfs/dbraw/zinc/12/58/30/222125830.db2.gz DHUMATQRPDSYEB-INIZCTEOSA-N 2 2 331.464 1.691 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000123072302 222211149 /nfs/dbraw/zinc/21/11/49/222211149.db2.gz GWNGFAAPTRYRGH-HIFRSBDPSA-N 2 2 333.432 1.811 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000123072302 222211153 /nfs/dbraw/zinc/21/11/53/222211153.db2.gz GWNGFAAPTRYRGH-HIFRSBDPSA-N 2 2 333.432 1.811 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000123072302 222211157 /nfs/dbraw/zinc/21/11/57/222211157.db2.gz GWNGFAAPTRYRGH-HIFRSBDPSA-N 2 2 333.432 1.811 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000123072302 222211159 /nfs/dbraw/zinc/21/11/59/222211159.db2.gz GWNGFAAPTRYRGH-HIFRSBDPSA-N 2 2 333.432 1.811 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123828460 222339273 /nfs/dbraw/zinc/33/92/73/222339273.db2.gz HYJPPYCPCIYTCF-ZFWWWQNUSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123828460 222339275 /nfs/dbraw/zinc/33/92/75/222339275.db2.gz HYJPPYCPCIYTCF-ZFWWWQNUSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123828460 222339279 /nfs/dbraw/zinc/33/92/79/222339279.db2.gz HYJPPYCPCIYTCF-ZFWWWQNUSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123828460 222339281 /nfs/dbraw/zinc/33/92/81/222339281.db2.gz HYJPPYCPCIYTCF-ZFWWWQNUSA-N 2 2 348.447 1.758 20 0 EDADLP O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418440180 304495854 /nfs/dbraw/zinc/49/58/54/304495854.db2.gz GWGYDVHXISQHRQ-CYBMUJFWSA-N 2 2 332.439 1.843 20 0 EDADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000418490290 304502400 /nfs/dbraw/zinc/50/24/00/304502400.db2.gz QAAWGDPBWBRXNX-UHFFFAOYSA-N 2 2 336.867 1.695 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cnccn1 ZINC000268804363 273022170 /nfs/dbraw/zinc/02/21/70/273022170.db2.gz ISJNSHOESOELRA-HNNXBMFYSA-N 2 2 339.443 1.715 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000275456026 268345108 /nfs/dbraw/zinc/34/51/08/268345108.db2.gz CZYWFCOTAOQVKZ-IRXDYDNUSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000275456026 268345109 /nfs/dbraw/zinc/34/51/09/268345109.db2.gz CZYWFCOTAOQVKZ-IRXDYDNUSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000275456026 268345111 /nfs/dbraw/zinc/34/51/11/268345111.db2.gz CZYWFCOTAOQVKZ-IRXDYDNUSA-N 2 2 347.503 1.811 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275703738 268370459 /nfs/dbraw/zinc/37/04/59/268370459.db2.gz UNONBXGWHBVBIB-ZFWWWQNUSA-N 2 2 330.436 1.586 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000278521807 268674347 /nfs/dbraw/zinc/67/43/47/268674347.db2.gz CQBHXOITMQKEBT-CYBMUJFWSA-N 2 2 346.431 1.610 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000278993533 268763869 /nfs/dbraw/zinc/76/38/69/268763869.db2.gz ZTDWNDWOAYKBRH-INIZCTEOSA-N 2 2 328.460 1.915 20 0 EDADLP CC[C@]1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC[NH2+]1 ZINC000274341149 273085599 /nfs/dbraw/zinc/08/55/99/273085599.db2.gz AXOXOSBMXDSBLQ-LJQANCHMSA-N 2 2 330.476 1.905 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2c[nH+]ccc2N)c1 ZINC000275729324 273122975 /nfs/dbraw/zinc/12/29/75/273122975.db2.gz XGTLZYUGLDSXLF-MRXNPFEDSA-N 2 2 339.399 1.366 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2c[nH+]ccc2N)c1 ZINC000275729324 273122977 /nfs/dbraw/zinc/12/29/77/273122977.db2.gz XGTLZYUGLDSXLF-MRXNPFEDSA-N 2 2 339.399 1.366 20 0 EDADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000275760879 273125887 /nfs/dbraw/zinc/12/58/87/273125887.db2.gz QSQGOHNVJOUDDL-KRWDZBQOSA-N 2 2 340.475 1.892 20 0 EDADLP CN(C)c1ncc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cn1 ZINC000275760879 273125888 /nfs/dbraw/zinc/12/58/88/273125888.db2.gz QSQGOHNVJOUDDL-KRWDZBQOSA-N 2 2 340.475 1.892 20 0 EDADLP CN(C)c1ncc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cn1 ZINC000275760879 273125889 /nfs/dbraw/zinc/12/58/89/273125889.db2.gz QSQGOHNVJOUDDL-KRWDZBQOSA-N 2 2 340.475 1.892 20 0 EDADLP CN(C)c1ncc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cn1 ZINC000275760879 273125890 /nfs/dbraw/zinc/12/58/90/273125890.db2.gz QSQGOHNVJOUDDL-KRWDZBQOSA-N 2 2 340.475 1.892 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C)(O)CC3)CC2)c1 ZINC000177298950 272940467 /nfs/dbraw/zinc/94/04/67/272940467.db2.gz DERGOBGDGKWALF-UHFFFAOYSA-N 2 2 345.487 1.486 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000278242000 273256023 /nfs/dbraw/zinc/25/60/23/273256023.db2.gz TYLHUNIZUFFWCM-HIFRSBDPSA-N 2 2 336.823 1.643 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc2n[nH]cc2c1 ZINC000280529454 273367682 /nfs/dbraw/zinc/36/76/82/273367682.db2.gz NLGBKCUAPZDTAQ-UHFFFAOYSA-N 2 2 343.475 1.590 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc2n[nH]cc2c1 ZINC000280529454 273367683 /nfs/dbraw/zinc/36/76/83/273367683.db2.gz NLGBKCUAPZDTAQ-UHFFFAOYSA-N 2 2 343.475 1.590 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000280718948 273390006 /nfs/dbraw/zinc/39/00/06/273390006.db2.gz FLMNEIZXIAWQOF-KVSKMBFKSA-N 2 2 328.460 1.677 20 0 EDADLP O=C(N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280819104 273402627 /nfs/dbraw/zinc/40/26/27/273402627.db2.gz NBZDFUYJTWYFLM-QWFCFKBJSA-N 2 2 343.471 1.254 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000284822425 274346554 /nfs/dbraw/zinc/34/65/54/274346554.db2.gz JPVAUZLXEZSPEU-UHFFFAOYSA-N 2 2 330.432 1.607 20 0 EDADLP CC(C)[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365589998 276008080 /nfs/dbraw/zinc/00/80/80/276008080.db2.gz WDKXCKDYWIWIAU-KSZLIROESA-N 2 2 337.508 1.674 20 0 EDADLP CC(C)[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365589998 276008081 /nfs/dbraw/zinc/00/80/81/276008081.db2.gz WDKXCKDYWIWIAU-KSZLIROESA-N 2 2 337.508 1.674 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H]2COCCO2)[C@@H]1c1cnn(C)c1 ZINC000450793112 276165835 /nfs/dbraw/zinc/16/58/35/276165835.db2.gz PIWKGDOVTXKBSV-RYQLBKOJSA-N 2 2 336.480 1.540 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H]2COCCO2)[C@@H]1c1cnn(C)c1 ZINC000450793112 276165836 /nfs/dbraw/zinc/16/58/36/276165836.db2.gz PIWKGDOVTXKBSV-RYQLBKOJSA-N 2 2 336.480 1.540 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H]2COCCO2)[C@@H]1c1cnn(C)c1 ZINC000450793112 276165837 /nfs/dbraw/zinc/16/58/37/276165837.db2.gz PIWKGDOVTXKBSV-RYQLBKOJSA-N 2 2 336.480 1.540 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H]2COCCO2)[C@@H]1c1cnn(C)c1 ZINC000450793112 276165838 /nfs/dbraw/zinc/16/58/38/276165838.db2.gz PIWKGDOVTXKBSV-RYQLBKOJSA-N 2 2 336.480 1.540 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)c3ccccc3C2)CC1 ZINC000367931751 276191052 /nfs/dbraw/zinc/19/10/52/276191052.db2.gz PTMDLKAQRXCITQ-MAUKXSAKSA-N 2 2 331.460 1.478 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](O)c3ccccc3C2)CC1 ZINC000367931751 276191054 /nfs/dbraw/zinc/19/10/54/276191054.db2.gz PTMDLKAQRXCITQ-MAUKXSAKSA-N 2 2 331.460 1.478 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378436123 276211385 /nfs/dbraw/zinc/21/13/85/276211385.db2.gz VMKJXNVPFVDIMO-CRAIPNDOSA-N 2 2 338.540 1.780 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378436123 276211386 /nfs/dbraw/zinc/21/13/86/276211386.db2.gz VMKJXNVPFVDIMO-CRAIPNDOSA-N 2 2 338.540 1.780 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc2C1 ZINC000371493817 277009987 /nfs/dbraw/zinc/00/99/87/277009987.db2.gz UNUBKXMXOBZLQK-ICSRJNTNSA-N 2 2 345.487 1.916 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000369274719 277028591 /nfs/dbraw/zinc/02/85/91/277028591.db2.gz RLQYZXFBNMKLRM-SMDDNHRTSA-N 2 2 334.291 1.855 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(C)CC3(Cl)Cl)C2)CC1 ZINC000369274719 277028592 /nfs/dbraw/zinc/02/85/92/277028592.db2.gz RLQYZXFBNMKLRM-SMDDNHRTSA-N 2 2 334.291 1.855 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(C)c1 ZINC000286114534 287938445 /nfs/dbraw/zinc/93/84/45/287938445.db2.gz NFWVGESMLBLWTK-RTBURBONSA-N 2 2 345.487 1.969 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1 ZINC000360775887 277167174 /nfs/dbraw/zinc/16/71/74/277167174.db2.gz NDVIMNCXJCAAEB-JKSUJKDBSA-N 2 2 331.395 1.767 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1 ZINC000360775887 277167175 /nfs/dbraw/zinc/16/71/75/277167175.db2.gz NDVIMNCXJCAAEB-JKSUJKDBSA-N 2 2 331.395 1.767 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000376786328 278015964 /nfs/dbraw/zinc/01/59/64/278015964.db2.gz DRMDWSWXCAIEGW-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354967993 278092905 /nfs/dbraw/zinc/09/29/05/278092905.db2.gz AWSTTYFNQOGCAJ-HNNXBMFYSA-N 2 2 347.507 1.784 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354967993 278092908 /nfs/dbraw/zinc/09/29/08/278092908.db2.gz AWSTTYFNQOGCAJ-HNNXBMFYSA-N 2 2 347.507 1.784 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@@H]1C ZINC000330530316 278293535 /nfs/dbraw/zinc/29/35/35/278293535.db2.gz ATQMEFLRBFKMCR-LTIDMASMSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@@H]1C ZINC000330530316 278293537 /nfs/dbraw/zinc/29/35/37/278293537.db2.gz ATQMEFLRBFKMCR-LTIDMASMSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 ZINC000351859257 278314148 /nfs/dbraw/zinc/31/41/48/278314148.db2.gz CLMIWJYAFONGCM-CHWSQXEVSA-N 2 2 330.432 1.419 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 ZINC000351859257 278314151 /nfs/dbraw/zinc/31/41/51/278314151.db2.gz CLMIWJYAFONGCM-CHWSQXEVSA-N 2 2 330.432 1.419 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000357831191 278547263 /nfs/dbraw/zinc/54/72/63/278547263.db2.gz OSJOFIRACTYHCO-HZPDHXFCSA-N 2 2 349.479 1.263 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[NH+]2CCOCC2)cc1 ZINC000261771150 278844290 /nfs/dbraw/zinc/84/42/90/278844290.db2.gz OHTYJWKMQIKKSJ-GUDVDZBRSA-N 2 2 345.487 1.860 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345102065 279126092 /nfs/dbraw/zinc/12/60/92/279126092.db2.gz HEULVKPMVUTVNM-BBWFWOEESA-N 2 2 340.512 1.467 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cn1 ZINC000261961493 279169537 /nfs/dbraw/zinc/16/95/37/279169537.db2.gz POGDUFMSXMPYSU-RCCFBDPRSA-N 3 2 341.459 1.822 20 0 EDADLP C[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000348588561 279200708 /nfs/dbraw/zinc/20/07/08/279200708.db2.gz PBJWZCLLHBVEJK-AYOQOUSVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@@H]21)[N@H+]1CCc2ccccc2C1 ZINC000348588561 279200713 /nfs/dbraw/zinc/20/07/13/279200713.db2.gz PBJWZCLLHBVEJK-AYOQOUSVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCc2ccccc2C1 ZINC000348588561 279200715 /nfs/dbraw/zinc/20/07/15/279200715.db2.gz PBJWZCLLHBVEJK-AYOQOUSVSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCc2ccccc2C1 ZINC000348588561 279200719 /nfs/dbraw/zinc/20/07/19/279200719.db2.gz PBJWZCLLHBVEJK-AYOQOUSVSA-N 2 2 343.471 1.365 20 0 EDADLP CC[NH+]1CCC(N(C2CC2)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000377029506 279258192 /nfs/dbraw/zinc/25/81/92/279258192.db2.gz IYZQKXGEXZJOIJ-APWZRJJASA-N 2 2 336.524 1.645 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000287239298 288189047 /nfs/dbraw/zinc/18/90/47/288189047.db2.gz RBEXROPWRQPJBM-GDBMZVCRSA-N 2 2 325.416 1.966 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000352169853 280144778 /nfs/dbraw/zinc/14/47/78/280144778.db2.gz IIWOXGJBDYAZSN-ZWKOTPCHSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000352169853 280144781 /nfs/dbraw/zinc/14/47/81/280144781.db2.gz IIWOXGJBDYAZSN-ZWKOTPCHSA-N 2 2 335.492 1.574 20 0 EDADLP CC[C@@H](CSC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368360671 280156243 /nfs/dbraw/zinc/15/62/43/280156243.db2.gz KDKKFIINBKGIRE-GOEBONIOSA-N 2 2 342.553 1.938 20 0 EDADLP CC[C@@H](CSC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368360671 280156244 /nfs/dbraw/zinc/15/62/44/280156244.db2.gz KDKKFIINBKGIRE-GOEBONIOSA-N 2 2 342.553 1.938 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000287697690 288299139 /nfs/dbraw/zinc/29/91/39/288299139.db2.gz IYRZLZFHKFOJMX-IXDOHACOSA-N 2 2 343.475 1.929 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)N3CCn4c[nH+]cc4C3)CC2)[nH+]1 ZINC000358766340 281224638 /nfs/dbraw/zinc/22/46/38/281224638.db2.gz GRQRFMJXPYJDKL-UHFFFAOYSA-N 2 2 340.431 1.781 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000288236223 288439409 /nfs/dbraw/zinc/43/94/09/288439409.db2.gz FLIISKMDTOGWLG-ZBFHGGJFSA-N 2 2 325.416 1.966 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)n(C)c1C ZINC000291164279 289010999 /nfs/dbraw/zinc/01/09/99/289010999.db2.gz IXGCJWLYPWBRDE-UHFFFAOYSA-N 2 2 348.491 1.334 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(C[NH+]2CCNC(=O)C2)c1 ZINC000291186581 289014606 /nfs/dbraw/zinc/01/46/06/289014606.db2.gz LKIRSJABLIRWRV-RVKKMQEKSA-N 2 2 330.476 1.759 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cccc(C[NH+]2CCNC(=O)C2)c1 ZINC000291186581 289014607 /nfs/dbraw/zinc/01/46/07/289014607.db2.gz LKIRSJABLIRWRV-RVKKMQEKSA-N 2 2 330.476 1.759 20 0 EDADLP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291186581 289014609 /nfs/dbraw/zinc/01/46/09/289014609.db2.gz LKIRSJABLIRWRV-RVKKMQEKSA-N 2 2 330.476 1.759 20 0 EDADLP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291186581 289014610 /nfs/dbraw/zinc/01/46/10/289014610.db2.gz LKIRSJABLIRWRV-RVKKMQEKSA-N 2 2 330.476 1.759 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176635680 289068471 /nfs/dbraw/zinc/06/84/71/289068471.db2.gz UOOHUXWWYPXNEO-DOTOQJQBSA-N 3 2 339.528 1.184 20 0 EDADLP C[NH+](C)CC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CCCC1 ZINC000341575507 289089419 /nfs/dbraw/zinc/08/94/19/289089419.db2.gz YFGYKTURCXQXNK-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+](C)CC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CCCC1 ZINC000341575507 289089422 /nfs/dbraw/zinc/08/94/22/289089422.db2.gz YFGYKTURCXQXNK-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3cccnc3-n3cc[nH+]c3)C2)C1 ZINC000291662639 289142277 /nfs/dbraw/zinc/14/22/77/289142277.db2.gz PAGPAQFHWVYHIN-SFHVURJKSA-N 2 2 340.431 1.505 20 0 EDADLP OC1CC[NH+](CCC[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000291938809 289220774 /nfs/dbraw/zinc/22/07/74/289220774.db2.gz MYDNIDPLSLEHMK-UHFFFAOYSA-N 2 2 329.448 1.263 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000330863738 289239175 /nfs/dbraw/zinc/23/91/75/289239175.db2.gz TYQHALTYRIFKII-CVEARBPZSA-N 2 2 325.478 1.303 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000330863738 289239177 /nfs/dbraw/zinc/23/91/77/289239177.db2.gz TYQHALTYRIFKII-CVEARBPZSA-N 2 2 325.478 1.303 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000184586043 289277325 /nfs/dbraw/zinc/27/73/25/289277325.db2.gz XXCKRXLFPDJCHJ-HKUYNNGSSA-N 3 2 346.519 1.679 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000184586043 289277326 /nfs/dbraw/zinc/27/73/26/289277326.db2.gz XXCKRXLFPDJCHJ-HKUYNNGSSA-N 3 2 346.519 1.679 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000184586043 289277327 /nfs/dbraw/zinc/27/73/27/289277327.db2.gz XXCKRXLFPDJCHJ-HKUYNNGSSA-N 3 2 346.519 1.679 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000184586043 289277328 /nfs/dbraw/zinc/27/73/28/289277328.db2.gz XXCKRXLFPDJCHJ-HKUYNNGSSA-N 3 2 346.519 1.679 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292183495 289282482 /nfs/dbraw/zinc/28/24/82/289282482.db2.gz QTKAVBDDGCLLQH-MJGOQNOKSA-N 2 2 332.444 1.657 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292183495 289282486 /nfs/dbraw/zinc/28/24/86/289282486.db2.gz QTKAVBDDGCLLQH-MJGOQNOKSA-N 2 2 332.444 1.657 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292183495 289282489 /nfs/dbraw/zinc/28/24/89/289282489.db2.gz QTKAVBDDGCLLQH-MJGOQNOKSA-N 2 2 332.444 1.657 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292183495 289282492 /nfs/dbraw/zinc/28/24/92/289282492.db2.gz QTKAVBDDGCLLQH-MJGOQNOKSA-N 2 2 332.444 1.657 20 0 EDADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292394932 289335072 /nfs/dbraw/zinc/33/50/72/289335072.db2.gz ZZSIWMUUNJVFDF-INIZCTEOSA-N 2 2 334.445 1.338 20 0 EDADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292394932 289335074 /nfs/dbraw/zinc/33/50/74/289335074.db2.gz ZZSIWMUUNJVFDF-INIZCTEOSA-N 2 2 334.445 1.338 20 0 EDADLP C[C@H](C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2)n1cccn1 ZINC000275721633 298000821 /nfs/dbraw/zinc/00/08/21/298000821.db2.gz ORTNQLNPZGJERD-HUUCEWRRSA-N 2 2 342.447 1.349 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417660579 298396762 /nfs/dbraw/zinc/39/67/62/298396762.db2.gz NHDOFOCJGNIVCZ-RISCZKNCSA-N 2 2 328.407 1.994 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)n1C ZINC000419697089 304664716 /nfs/dbraw/zinc/66/47/16/304664716.db2.gz QCTGMFAPGROXQM-SJLPKXTDSA-N 2 2 332.423 1.881 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000420373895 304752837 /nfs/dbraw/zinc/75/28/37/304752837.db2.gz RLRPOBBGLVASOB-LSTDLKDCSA-N 2 2 344.503 1.700 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000294368446 303098215 /nfs/dbraw/zinc/09/82/15/303098215.db2.gz VWTJJOLTCKOULV-HIFRSBDPSA-N 2 2 334.420 1.095 20 0 EDADLP CO[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000294834366 303148948 /nfs/dbraw/zinc/14/89/48/303148948.db2.gz DMMWECMKVMDISS-SFHVURJKSA-N 2 2 333.476 1.386 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cccnc2N)CCC[NH+]1C ZINC000294890996 303152944 /nfs/dbraw/zinc/15/29/44/303152944.db2.gz AZMNQJDBIGOJHF-WMLDXEAASA-N 2 2 328.464 1.912 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cccnc2N)CCC[NH+]1C ZINC000294890996 303152947 /nfs/dbraw/zinc/15/29/47/303152947.db2.gz AZMNQJDBIGOJHF-WMLDXEAASA-N 2 2 328.464 1.912 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccnc2N)CCC[N@@H+]1C ZINC000294890996 303152949 /nfs/dbraw/zinc/15/29/49/303152949.db2.gz AZMNQJDBIGOJHF-WMLDXEAASA-N 2 2 328.464 1.912 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccnc2N)CCC[N@H+]1C ZINC000294890996 303152951 /nfs/dbraw/zinc/15/29/51/303152951.db2.gz AZMNQJDBIGOJHF-WMLDXEAASA-N 2 2 328.464 1.912 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000295689566 303252962 /nfs/dbraw/zinc/25/29/62/303252962.db2.gz DEOMSWRXUBOPBY-CABCVRRESA-N 2 2 337.464 1.777 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000295689566 303252963 /nfs/dbraw/zinc/25/29/63/303252963.db2.gz DEOMSWRXUBOPBY-CABCVRRESA-N 2 2 337.464 1.777 20 0 EDADLP CN(C(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000296383950 303314308 /nfs/dbraw/zinc/31/43/08/303314308.db2.gz PKHHXXFEJWKMIC-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000296383950 303314309 /nfs/dbraw/zinc/31/43/09/303314309.db2.gz PKHHXXFEJWKMIC-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000296383950 303314311 /nfs/dbraw/zinc/31/43/11/303314311.db2.gz PKHHXXFEJWKMIC-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)cn2c1 ZINC000297316236 303385094 /nfs/dbraw/zinc/38/50/94/303385094.db2.gz IPWHCPAXGUNQQX-HNNXBMFYSA-N 2 2 345.447 1.289 20 0 EDADLP O=C(NCc1ccc2c[nH+]cn2c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000297345151 303387342 /nfs/dbraw/zinc/38/73/42/303387342.db2.gz OKRILGSEQMSTMA-HNNXBMFYSA-N 2 2 336.399 1.807 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416992669 303405451 /nfs/dbraw/zinc/40/54/51/303405451.db2.gz LTIYWJTZOPMDPY-IRXDYDNUSA-N 2 2 327.432 1.858 20 0 EDADLP COCCn1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)cn1 ZINC000414887001 447343734 /nfs/dbraw/zinc/34/37/34/447343734.db2.gz QJBBTXOVTOUCCW-OALUTQOASA-N 2 2 344.459 1.773 20 0 EDADLP CCOC(=O)c1csc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000423076782 304884322 /nfs/dbraw/zinc/88/43/22/304884322.db2.gz ZSROHDNBEHHPQD-ZFWWWQNUSA-N 2 2 339.461 1.219 20 0 EDADLP O=C(C[NH2+]CC1CC1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423929271 304918360 /nfs/dbraw/zinc/91/83/60/304918360.db2.gz MCSXUIBEIRNQJX-MRXNPFEDSA-N 2 2 344.459 1.661 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000424453237 304929982 /nfs/dbraw/zinc/92/99/82/304929982.db2.gz JWTWFSQGPGCORY-CQSZACIVSA-N 2 2 341.415 1.283 20 0 EDADLP CCCCCNC(=O)C1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000430586388 305057237 /nfs/dbraw/zinc/05/72/37/305057237.db2.gz WIIJZYSTMHIHIP-UHFFFAOYSA-N 2 2 337.468 1.782 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)cc1OC ZINC000430589235 305057376 /nfs/dbraw/zinc/05/73/76/305057376.db2.gz DBSLZYOECCIQEJ-BFUOFWGJSA-N 2 2 349.475 1.988 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000430596763 305057713 /nfs/dbraw/zinc/05/77/13/305057713.db2.gz PFFMOVDZFIVESG-INIZCTEOSA-N 2 2 325.428 1.626 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000430596763 305057714 /nfs/dbraw/zinc/05/77/14/305057714.db2.gz PFFMOVDZFIVESG-INIZCTEOSA-N 2 2 325.428 1.626 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000430614206 305059053 /nfs/dbraw/zinc/05/90/53/305059053.db2.gz YRDMSPCSUXHROP-UHFFFAOYSA-N 3 2 344.503 1.310 20 0 EDADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000430622198 305059540 /nfs/dbraw/zinc/05/95/40/305059540.db2.gz FRJXJVHBXDQTQB-LLVKDONJSA-N 2 2 341.839 1.980 20 0 EDADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000430622198 305059541 /nfs/dbraw/zinc/05/95/41/305059541.db2.gz FRJXJVHBXDQTQB-LLVKDONJSA-N 2 2 341.839 1.980 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000430726472 305063497 /nfs/dbraw/zinc/06/34/97/305063497.db2.gz WGNSFYOJLZZHGA-QGZVFWFLSA-N 2 2 349.475 1.701 20 0 EDADLP COCC[C@@]1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[NH2+]C1 ZINC000430760600 305064254 /nfs/dbraw/zinc/06/42/54/305064254.db2.gz JSLUYQNSAYZTBE-IBGZPJMESA-N 2 2 342.443 1.564 20 0 EDADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000430922581 305068226 /nfs/dbraw/zinc/06/82/26/305068226.db2.gz BIJDMTXDMZQAHZ-CYBMUJFWSA-N 2 2 337.439 1.865 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000430942410 305069718 /nfs/dbraw/zinc/06/97/18/305069718.db2.gz LRQYCTLIFNXNLV-IUODEOHRSA-N 2 2 325.840 1.504 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000430942410 305069719 /nfs/dbraw/zinc/06/97/19/305069719.db2.gz LRQYCTLIFNXNLV-IUODEOHRSA-N 2 2 325.840 1.504 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC[C@H]1[NH3+] ZINC000430948927 305070198 /nfs/dbraw/zinc/07/01/98/305070198.db2.gz LXBOYJKHGRPJHT-XYPHTWIQSA-N 2 2 335.423 1.395 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC[C@H]1[NH3+] ZINC000430948927 305070199 /nfs/dbraw/zinc/07/01/99/305070199.db2.gz LXBOYJKHGRPJHT-XYPHTWIQSA-N 2 2 335.423 1.395 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000430949597 305070238 /nfs/dbraw/zinc/07/02/38/305070238.db2.gz DNKQTQKLPLGQCE-KFWWJZLASA-N 2 2 347.459 1.565 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000430949597 305070239 /nfs/dbraw/zinc/07/02/39/305070239.db2.gz DNKQTQKLPLGQCE-KFWWJZLASA-N 2 2 347.459 1.565 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430950733 305070294 /nfs/dbraw/zinc/07/02/94/305070294.db2.gz SBNPZRBQHOOGIC-RHSMWYFYSA-N 2 2 346.475 1.776 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430950733 305070295 /nfs/dbraw/zinc/07/02/95/305070295.db2.gz SBNPZRBQHOOGIC-RHSMWYFYSA-N 2 2 346.475 1.776 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000430956478 305070655 /nfs/dbraw/zinc/07/06/55/305070655.db2.gz OWAWAOSHQHKOBW-ZDUSSCGKSA-N 2 2 331.395 1.539 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000430956478 305070656 /nfs/dbraw/zinc/07/06/56/305070656.db2.gz OWAWAOSHQHKOBW-ZDUSSCGKSA-N 2 2 331.395 1.539 20 0 EDADLP Cc1occc1C(=O)NC1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431074675 305074351 /nfs/dbraw/zinc/07/43/51/305074351.db2.gz WZFDQZCEODDPLF-UHFFFAOYSA-N 2 2 347.419 1.559 20 0 EDADLP COc1ccc([C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)c2[nH+]ccn2C)cc1 ZINC000433162105 305102148 /nfs/dbraw/zinc/10/21/48/305102148.db2.gz LLIMECGJYJPBOX-JKSUJKDBSA-N 2 2 330.432 1.865 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H](C[NH3+])C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000433161746 305102210 /nfs/dbraw/zinc/10/22/10/305102210.db2.gz YHDJYCFOLVNRIG-HOTGVXAUSA-N 3 2 347.507 1.605 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000433958053 305115952 /nfs/dbraw/zinc/11/59/52/305115952.db2.gz FFSGHSWDDLXMTI-UHFFFAOYSA-N 2 2 338.496 1.272 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000433973862 305116235 /nfs/dbraw/zinc/11/62/35/305116235.db2.gz IQGMNHBAIRPDOS-CQSZACIVSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434330940 305120597 /nfs/dbraw/zinc/12/05/97/305120597.db2.gz TYUKSWNZDCRDDK-INIZCTEOSA-N 2 2 338.496 1.415 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OC ZINC000435393093 305139678 /nfs/dbraw/zinc/13/96/78/305139678.db2.gz YVWKGTOVKATKDY-ZBFHGGJFSA-N 2 2 349.475 1.769 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OC ZINC000435393093 305139679 /nfs/dbraw/zinc/13/96/79/305139679.db2.gz YVWKGTOVKATKDY-ZBFHGGJFSA-N 2 2 349.475 1.769 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)N1CCCC1 ZINC000435389473 305139802 /nfs/dbraw/zinc/13/98/02/305139802.db2.gz MOJUQDBFDHFKLF-QGZVFWFLSA-N 2 2 331.460 1.872 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)N1CCCC1 ZINC000435389473 305139803 /nfs/dbraw/zinc/13/98/03/305139803.db2.gz MOJUQDBFDHFKLF-QGZVFWFLSA-N 2 2 331.460 1.872 20 0 EDADLP Cc1cnn(CC(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435563541 305142408 /nfs/dbraw/zinc/14/24/08/305142408.db2.gz MMYUPTKVMKHEQU-HNNXBMFYSA-N 2 2 342.447 1.096 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1ncnn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681299 305145232 /nfs/dbraw/zinc/14/52/32/305145232.db2.gz JVAAVJCFMIRHKW-CQSZACIVSA-N 2 2 329.452 1.176 20 0 EDADLP CCn1ccnc1C[N@H+](CCN1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690191 305145405 /nfs/dbraw/zinc/14/54/05/305145405.db2.gz BUJMXCZTWKMLDC-QGZVFWFLSA-N 2 2 347.507 1.179 20 0 EDADLP CCn1ccnc1C[N@@H+](CCN1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690191 305145406 /nfs/dbraw/zinc/14/54/06/305145406.db2.gz BUJMXCZTWKMLDC-QGZVFWFLSA-N 2 2 347.507 1.179 20 0 EDADLP CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435757004 305147129 /nfs/dbraw/zinc/14/71/29/305147129.db2.gz WWRBBWRXKRJARZ-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@@H](Cc1ccccc1F)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000438201374 305182987 /nfs/dbraw/zinc/18/29/87/305182987.db2.gz PQZODCKCVYUCJE-KRWDZBQOSA-N 2 2 337.483 1.736 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H]1CO ZINC000442890223 305230473 /nfs/dbraw/zinc/23/04/73/305230473.db2.gz NWGDXBPAYSRCOU-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H]1CO ZINC000442890223 305230474 /nfs/dbraw/zinc/23/04/74/305230474.db2.gz NWGDXBPAYSRCOU-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443006287 305232942 /nfs/dbraw/zinc/23/29/42/305232942.db2.gz IFOVQSYYPCXVBL-INIZCTEOSA-N 2 2 348.472 1.646 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443039802 305233557 /nfs/dbraw/zinc/23/35/57/305233557.db2.gz SENYOXNPQPGWMV-HUUCEWRRSA-N 2 2 348.472 1.645 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443039802 305233558 /nfs/dbraw/zinc/23/35/58/305233558.db2.gz SENYOXNPQPGWMV-HUUCEWRRSA-N 2 2 348.472 1.645 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000447265647 305276713 /nfs/dbraw/zinc/27/67/13/305276713.db2.gz SBCDJTVDDHNWAS-HRCADAONSA-N 2 2 337.464 1.421 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000447265647 305276714 /nfs/dbraw/zinc/27/67/14/305276714.db2.gz SBCDJTVDDHNWAS-HRCADAONSA-N 2 2 337.464 1.421 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448320769 305295561 /nfs/dbraw/zinc/29/55/61/305295561.db2.gz KHRKOEYFQATEIT-CQSZACIVSA-N 2 2 334.420 1.265 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448320769 305295562 /nfs/dbraw/zinc/29/55/62/305295562.db2.gz KHRKOEYFQATEIT-CQSZACIVSA-N 2 2 334.420 1.265 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)nc1 ZINC000449079644 305305920 /nfs/dbraw/zinc/30/59/20/305305920.db2.gz ZQDPNKKMTVVSKS-QGZVFWFLSA-N 2 2 345.491 1.680 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000449121517 305307413 /nfs/dbraw/zinc/30/74/13/305307413.db2.gz IAAWKHYCXCDUEK-INIZCTEOSA-N 2 2 335.496 1.479 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000449121517 305307414 /nfs/dbraw/zinc/30/74/14/305307414.db2.gz IAAWKHYCXCDUEK-INIZCTEOSA-N 2 2 335.496 1.479 20 0 EDADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCCO1 ZINC000425897294 447353887 /nfs/dbraw/zinc/35/38/87/447353887.db2.gz STHDISSCUMZZAT-HNNXBMFYSA-N 3 2 336.480 1.732 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCCO1 ZINC000425897294 447353894 /nfs/dbraw/zinc/35/38/94/447353894.db2.gz STHDISSCUMZZAT-HNNXBMFYSA-N 3 2 336.480 1.732 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000515234297 305717503 /nfs/dbraw/zinc/71/75/03/305717503.db2.gz FDZYICXJOBYIBS-ZWKOTPCHSA-N 2 2 336.476 1.601 20 0 EDADLP C[C@@]1(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)CCC[NH2+]C1 ZINC000521839609 305793462 /nfs/dbraw/zinc/79/34/62/305793462.db2.gz WDBKAURTOKBVAA-GOSISDBHSA-N 2 2 347.463 1.107 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000522022100 305798099 /nfs/dbraw/zinc/79/80/99/305798099.db2.gz MUXPPUQNIYMTRJ-WBVHZDCISA-N 2 2 334.464 1.227 20 0 EDADLP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000377796410 447361238 /nfs/dbraw/zinc/36/12/38/447361238.db2.gz NORJKWJJCCIGQY-ZWKOTPCHSA-N 2 2 328.460 1.362 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000377808131 447366499 /nfs/dbraw/zinc/36/64/99/447366499.db2.gz WPDVDRVRMGYRSU-WBVHZDCISA-N 2 2 334.464 1.570 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000534579410 306008229 /nfs/dbraw/zinc/00/82/29/306008229.db2.gz OVOAMECESJOBNF-AWEZNQCLSA-N 2 2 341.415 1.807 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000534579410 306008230 /nfs/dbraw/zinc/00/82/30/306008230.db2.gz OVOAMECESJOBNF-AWEZNQCLSA-N 2 2 341.415 1.807 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000535313315 306012673 /nfs/dbraw/zinc/01/26/73/306012673.db2.gz KURUYDKOZJVTCS-ZFWWWQNUSA-N 2 2 328.420 1.139 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@H](c4[nH+]ccn4C)C3)C2=O)cn1 ZINC000535313315 306012674 /nfs/dbraw/zinc/01/26/74/306012674.db2.gz KURUYDKOZJVTCS-ZFWWWQNUSA-N 2 2 328.420 1.139 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000535313192 306012730 /nfs/dbraw/zinc/01/27/30/306012730.db2.gz KJOXVWQGDDOWSF-ZDUSSCGKSA-N 2 2 331.420 1.074 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000535313192 306012731 /nfs/dbraw/zinc/01/27/31/306012731.db2.gz KJOXVWQGDDOWSF-ZDUSSCGKSA-N 2 2 331.420 1.074 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)Nc3cc(C)[nH+]cc3C)CC2)c1 ZINC000536621852 306024220 /nfs/dbraw/zinc/02/42/20/306024220.db2.gz OIRYDVDQFSWPBJ-UHFFFAOYSA-N 2 2 341.415 1.878 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)cc[nH+]1 ZINC000539838312 306037755 /nfs/dbraw/zinc/03/77/55/306037755.db2.gz RXPDMJMXMZCSLY-UHFFFAOYSA-N 2 2 337.431 1.741 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C12CCC2 ZINC000544015578 306071975 /nfs/dbraw/zinc/07/19/75/306071975.db2.gz JDRPXAGFVJNTJJ-OWCLPIDISA-N 2 2 346.475 1.848 20 0 EDADLP CN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000544623794 306077463 /nfs/dbraw/zinc/07/74/63/306077463.db2.gz GDKVOOONGJTAPT-UHFFFAOYSA-N 2 2 335.452 1.011 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000545150457 306080500 /nfs/dbraw/zinc/08/05/00/306080500.db2.gz BMRFVVCQDQAVCR-UHFFFAOYSA-N 2 2 331.464 1.713 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000545150457 306080501 /nfs/dbraw/zinc/08/05/01/306080501.db2.gz BMRFVVCQDQAVCR-UHFFFAOYSA-N 2 2 331.464 1.713 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000548917304 306142002 /nfs/dbraw/zinc/14/20/02/306142002.db2.gz HSEKBQGVCBHNST-DLBZAZTESA-N 2 2 335.492 1.717 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000548917304 306142003 /nfs/dbraw/zinc/14/20/03/306142003.db2.gz HSEKBQGVCBHNST-DLBZAZTESA-N 2 2 335.492 1.717 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC000553943149 306188038 /nfs/dbraw/zinc/18/80/38/306188038.db2.gz GNDJADQZIBJUMI-CJNGLKHVSA-N 2 2 337.493 1.608 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000556673156 306213120 /nfs/dbraw/zinc/21/31/20/306213120.db2.gz LNCGETWDDXKPEF-HDICACEKSA-N 2 2 340.427 1.524 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000556673156 306213121 /nfs/dbraw/zinc/21/31/21/306213121.db2.gz LNCGETWDDXKPEF-HDICACEKSA-N 2 2 340.427 1.524 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000556673442 306213211 /nfs/dbraw/zinc/21/32/11/306213211.db2.gz KYHQPLMCDCHCQC-IYBDPMFKSA-N 2 2 340.427 1.774 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000556673442 306213212 /nfs/dbraw/zinc/21/32/12/306213212.db2.gz KYHQPLMCDCHCQC-IYBDPMFKSA-N 2 2 340.427 1.774 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)ccc2OCC2CC2)[C@H](C[NH3+])C1 ZINC000557013812 306223207 /nfs/dbraw/zinc/22/32/07/306223207.db2.gz FKBWQFMNXSXBDG-CQSZACIVSA-N 2 2 336.411 1.721 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(F)ccc2OCC2CC2)[C@H](C[NH3+])C1 ZINC000557013812 306223208 /nfs/dbraw/zinc/22/32/08/306223208.db2.gz FKBWQFMNXSXBDG-CQSZACIVSA-N 2 2 336.411 1.721 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]3C(C)C)CC2)s1 ZINC000377818329 447372719 /nfs/dbraw/zinc/37/27/19/447372719.db2.gz ZFONZJGIWBVADW-HZPDHXFCSA-N 2 2 336.505 1.730 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414971969 447380142 /nfs/dbraw/zinc/38/01/42/447380142.db2.gz XCDQTHSJCXMQIW-ZDUSSCGKSA-N 2 2 325.840 1.495 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000415110002 447388427 /nfs/dbraw/zinc/38/84/27/447388427.db2.gz PTLPGILTBSJODC-MSOLQXFVSA-N 2 2 333.476 1.420 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000415113609 447390254 /nfs/dbraw/zinc/39/02/54/447390254.db2.gz WSIFNGCRVDMTSH-GRDNDAEWSA-N 3 2 336.459 1.049 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000422206956 447403643 /nfs/dbraw/zinc/40/36/43/447403643.db2.gz LNYGIIHSUQIDKO-DOTOQJQBSA-N 2 2 334.464 1.685 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@H+]1C[C@H](C)O ZINC000422206956 447403648 /nfs/dbraw/zinc/40/36/48/447403648.db2.gz LNYGIIHSUQIDKO-DOTOQJQBSA-N 2 2 334.464 1.685 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000419797534 447418186 /nfs/dbraw/zinc/41/81/86/447418186.db2.gz UIJUOMMDMXPFCT-UHFFFAOYSA-N 2 2 341.415 1.236 20 0 EDADLP CCc1cnccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378451698 447430678 /nfs/dbraw/zinc/43/06/78/447430678.db2.gz KZHDMIIDEMUBRZ-QGZVFWFLSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1cnccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378451698 447430684 /nfs/dbraw/zinc/43/06/84/447430684.db2.gz KZHDMIIDEMUBRZ-QGZVFWFLSA-N 2 2 330.476 1.885 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000045410437 440981805 /nfs/dbraw/zinc/98/18/05/440981805.db2.gz VQBHXIGBHQISPI-UHFFFAOYSA-N 2 2 329.448 1.540 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080552195 441178955 /nfs/dbraw/zinc/17/89/55/441178955.db2.gz DXDKXDVVGLTBMJ-MAUKXSAKSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080552195 441178960 /nfs/dbraw/zinc/17/89/60/441178960.db2.gz DXDKXDVVGLTBMJ-MAUKXSAKSA-N 2 2 349.450 1.627 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000105079107 441231601 /nfs/dbraw/zinc/23/16/01/441231601.db2.gz GHIKXFSSXYZYBM-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000105079107 441231604 /nfs/dbraw/zinc/23/16/04/441231604.db2.gz GHIKXFSSXYZYBM-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@H+](C)C1CC1 ZINC000105115076 441234405 /nfs/dbraw/zinc/23/44/05/441234405.db2.gz JCPHIIJZNKWBKQ-AWEZNQCLSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@@H+](C)C1CC1 ZINC000105115076 441234409 /nfs/dbraw/zinc/23/44/09/441234409.db2.gz JCPHIIJZNKWBKQ-AWEZNQCLSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000071917076 441196643 /nfs/dbraw/zinc/19/66/43/441196643.db2.gz LWHDQQBPFWZRNC-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)C(=O)N3CCCCC3)CC2)c1 ZINC000104963705 441225859 /nfs/dbraw/zinc/22/58/59/441225859.db2.gz WJBQUWAKOGXDNW-OAHLLOKOSA-N 2 2 332.448 1.613 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCSCC1 ZINC000047992805 441247335 /nfs/dbraw/zinc/24/73/35/441247335.db2.gz VEDPEQQKIXTXSH-INIZCTEOSA-N 2 2 333.501 1.768 20 0 EDADLP C[NH+]1CCC(N(Cc2ccccc2F)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000081349490 441256151 /nfs/dbraw/zinc/25/61/51/441256151.db2.gz BQLPQKZKWCVOFJ-GOSISDBHSA-N 2 2 349.450 1.579 20 0 EDADLP C[NH+]1CCC(N(Cc2ccccc2F)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000081349490 441256156 /nfs/dbraw/zinc/25/61/56/441256156.db2.gz BQLPQKZKWCVOFJ-GOSISDBHSA-N 2 2 349.450 1.579 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1OC ZINC000022792868 441285803 /nfs/dbraw/zinc/28/58/03/441285803.db2.gz WYSWJMXJRSABIS-UHFFFAOYSA-N 2 2 335.448 1.396 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000048870022 441334664 /nfs/dbraw/zinc/33/46/64/441334664.db2.gz QSLHGXUCBBCXSW-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000105875716 441304024 /nfs/dbraw/zinc/30/40/24/441304024.db2.gz QOJYZDMSQUUIDI-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000051126657 441398206 /nfs/dbraw/zinc/39/82/06/441398206.db2.gz SWYMOTFTFMGJPD-UHFFFAOYSA-N 2 2 331.464 1.653 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000108883392 441479345 /nfs/dbraw/zinc/47/93/45/441479345.db2.gz ULTGKCLZILMCJZ-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000108883392 441479347 /nfs/dbraw/zinc/47/93/47/441479347.db2.gz ULTGKCLZILMCJZ-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc(OC)c1 ZINC000088251923 441500968 /nfs/dbraw/zinc/50/09/68/441500968.db2.gz ROWZFPJHLMTBJH-HNNXBMFYSA-N 2 2 344.415 1.291 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc(OC)c1 ZINC000088251923 441500973 /nfs/dbraw/zinc/50/09/73/441500973.db2.gz ROWZFPJHLMTBJH-HNNXBMFYSA-N 2 2 344.415 1.291 20 0 EDADLP COCCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074768067 441465425 /nfs/dbraw/zinc/46/54/25/441465425.db2.gz XKCSMXGUZWUHSK-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066179557 441509510 /nfs/dbraw/zinc/50/95/10/441509510.db2.gz JROYOAGTZXTTJA-KRWDZBQOSA-N 2 2 343.475 1.930 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)C1 ZINC000075894065 441565693 /nfs/dbraw/zinc/56/56/93/441565693.db2.gz IHPLGKHFMVTBEB-BZUAXINKSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)C1 ZINC000075894065 441565699 /nfs/dbraw/zinc/56/56/99/441565699.db2.gz IHPLGKHFMVTBEB-BZUAXINKSA-N 2 2 343.537 1.285 20 0 EDADLP COC(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000066832301 441572740 /nfs/dbraw/zinc/57/27/40/441572740.db2.gz DHCJXUITZQNHCF-JKSUJKDBSA-N 2 2 345.443 1.899 20 0 EDADLP COC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000066832301 441572742 /nfs/dbraw/zinc/57/27/42/441572742.db2.gz DHCJXUITZQNHCF-JKSUJKDBSA-N 2 2 345.443 1.899 20 0 EDADLP C[N@H+](CCNC(=O)C1([NH+]2CCOCC2)CCCC1)Cc1ccccc1 ZINC000114174795 441639856 /nfs/dbraw/zinc/63/98/56/441639856.db2.gz BJROWVBAHTWWDU-UHFFFAOYSA-N 2 2 345.487 1.880 20 0 EDADLP C[N@@H+](CCNC(=O)C1([NH+]2CCOCC2)CCCC1)Cc1ccccc1 ZINC000114174795 441639858 /nfs/dbraw/zinc/63/98/58/441639858.db2.gz BJROWVBAHTWWDU-UHFFFAOYSA-N 2 2 345.487 1.880 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000113513331 441613129 /nfs/dbraw/zinc/61/31/29/441613129.db2.gz PKWBIFVEZCUHSP-HNNXBMFYSA-N 2 2 337.439 1.676 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000113513331 441613136 /nfs/dbraw/zinc/61/31/36/441613136.db2.gz PKWBIFVEZCUHSP-HNNXBMFYSA-N 2 2 337.439 1.676 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000173336492 441717552 /nfs/dbraw/zinc/71/75/52/441717552.db2.gz KEQDAJFYBKCDLZ-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000114826156 441687231 /nfs/dbraw/zinc/68/72/31/441687231.db2.gz OCGNNKYFMZKHDD-WBVHZDCISA-N 2 2 331.464 1.564 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000114826156 441687237 /nfs/dbraw/zinc/68/72/37/441687237.db2.gz OCGNNKYFMZKHDD-WBVHZDCISA-N 2 2 331.464 1.564 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000041993884 441691864 /nfs/dbraw/zinc/69/18/64/441691864.db2.gz DXPPUDJEPPQLJF-ZDUSSCGKSA-N 2 2 329.404 1.088 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000158658433 441753851 /nfs/dbraw/zinc/75/38/51/441753851.db2.gz RAECQKFCYAGBOI-QGZVFWFLSA-N 2 2 348.447 1.355 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(=O)OC ZINC000158877970 441770227 /nfs/dbraw/zinc/77/02/27/441770227.db2.gz RIUHCWWVZDHBBO-ANQUJSFKSA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(=O)OC ZINC000158877970 441770234 /nfs/dbraw/zinc/77/02/34/441770234.db2.gz RIUHCWWVZDHBBO-ANQUJSFKSA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)OC ZINC000158877970 441770241 /nfs/dbraw/zinc/77/02/41/441770241.db2.gz RIUHCWWVZDHBBO-ANQUJSFKSA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@@H](C)[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(=O)OC ZINC000158877970 441770245 /nfs/dbraw/zinc/77/02/45/441770245.db2.gz RIUHCWWVZDHBBO-ANQUJSFKSA-N 2 2 339.480 1.106 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000139540014 441820524 /nfs/dbraw/zinc/82/05/24/441820524.db2.gz AWRJAMNNRAYIDU-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000139540014 441820532 /nfs/dbraw/zinc/82/05/32/441820532.db2.gz AWRJAMNNRAYIDU-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP C[NH+](C)CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000042922796 441799110 /nfs/dbraw/zinc/79/91/10/441799110.db2.gz CTQPOLBTJFLWTO-AWEZNQCLSA-N 2 2 340.493 1.372 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000173645052 441813646 /nfs/dbraw/zinc/81/36/46/441813646.db2.gz TWWVHFLEKTZLEQ-AWEZNQCLSA-N 2 2 339.505 1.496 20 0 EDADLP CCOc1ccccc1C1=CC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093168574 441862451 /nfs/dbraw/zinc/86/24/51/441862451.db2.gz SSIBROOAZLPMSI-UHFFFAOYSA-N 2 2 343.471 1.948 20 0 EDADLP CCOc1ccccc1C1=CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093168574 441862454 /nfs/dbraw/zinc/86/24/54/441862454.db2.gz SSIBROOAZLPMSI-UHFFFAOYSA-N 2 2 343.471 1.948 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173975324 441871509 /nfs/dbraw/zinc/87/15/09/441871509.db2.gz SDNYGAANYRULES-HOCLYGCPSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173975324 441871512 /nfs/dbraw/zinc/87/15/12/441871512.db2.gz SDNYGAANYRULES-HOCLYGCPSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173975324 441871517 /nfs/dbraw/zinc/87/15/17/441871517.db2.gz SDNYGAANYRULES-HOCLYGCPSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173975324 441871519 /nfs/dbraw/zinc/87/15/19/441871519.db2.gz SDNYGAANYRULES-HOCLYGCPSA-N 2 2 332.448 1.284 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174881476 441978351 /nfs/dbraw/zinc/97/83/51/441978351.db2.gz MBBOQGRRPURVAT-AEFFLSMTSA-N 2 2 338.540 1.782 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174881476 441978354 /nfs/dbraw/zinc/97/83/54/441978354.db2.gz MBBOQGRRPURVAT-AEFFLSMTSA-N 2 2 338.540 1.782 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@@H](C)O1 ZINC000119983587 441988293 /nfs/dbraw/zinc/98/82/93/441988293.db2.gz JFRDXCBUMXKDCV-HZPDHXFCSA-N 2 2 349.475 1.973 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000125313188 442008898 /nfs/dbraw/zinc/00/88/98/442008898.db2.gz UJKWQEWPHZRLBP-AWEZNQCLSA-N 2 2 327.423 1.880 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000125313188 442008902 /nfs/dbraw/zinc/00/89/02/442008902.db2.gz UJKWQEWPHZRLBP-AWEZNQCLSA-N 2 2 327.423 1.880 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079268467 442033959 /nfs/dbraw/zinc/03/39/59/442033959.db2.gz ANZHXHDRQUWRQZ-HNNXBMFYSA-N 2 2 333.480 1.936 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079268467 442033968 /nfs/dbraw/zinc/03/39/68/442033968.db2.gz ANZHXHDRQUWRQZ-HNNXBMFYSA-N 2 2 333.480 1.936 20 0 EDADLP CC[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000125620581 442036809 /nfs/dbraw/zinc/03/68/09/442036809.db2.gz QAYZMCKUZYZXMM-KRWDZBQOSA-N 2 2 345.487 1.867 20 0 EDADLP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804705 442043715 /nfs/dbraw/zinc/04/37/15/442043715.db2.gz ICQAITIRYMIYFN-OKZBNKHCSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804705 442043720 /nfs/dbraw/zinc/04/37/20/442043720.db2.gz ICQAITIRYMIYFN-OKZBNKHCSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000120520017 442088444 /nfs/dbraw/zinc/08/84/44/442088444.db2.gz ABPMSFAITXGFIP-GOSISDBHSA-N 2 2 333.480 1.071 20 0 EDADLP COC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000175720266 442111188 /nfs/dbraw/zinc/11/11/88/442111188.db2.gz ISAHJURBMXGGQJ-SFHVURJKSA-N 2 2 348.491 1.699 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000151688026 442107045 /nfs/dbraw/zinc/10/70/45/442107045.db2.gz ZLCAGODHUVPDCQ-UHFFFAOYSA-N 2 2 344.459 1.497 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000151688026 442107050 /nfs/dbraw/zinc/10/70/50/442107050.db2.gz ZLCAGODHUVPDCQ-UHFFFAOYSA-N 2 2 344.459 1.497 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000152133785 442169041 /nfs/dbraw/zinc/16/90/41/442169041.db2.gz FKDZFWXEMAZEOT-MSOLQXFVSA-N 2 2 333.476 1.940 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000152177659 442176581 /nfs/dbraw/zinc/17/65/81/442176581.db2.gz GKPAWVBVUNAAJH-KRWDZBQOSA-N 2 2 337.414 1.746 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000152177659 442176586 /nfs/dbraw/zinc/17/65/86/442176586.db2.gz GKPAWVBVUNAAJH-KRWDZBQOSA-N 2 2 337.414 1.746 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCSC1 ZINC000121106359 442177964 /nfs/dbraw/zinc/17/79/64/442177964.db2.gz KJKMMYZCFSLNMV-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCSC1 ZINC000121106359 442177968 /nfs/dbraw/zinc/17/79/68/442177968.db2.gz KJKMMYZCFSLNMV-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000176121789 442180075 /nfs/dbraw/zinc/18/00/75/442180075.db2.gz PQMLDYUYVUIWOB-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000176121789 442180078 /nfs/dbraw/zinc/18/00/78/442180078.db2.gz PQMLDYUYVUIWOB-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000127284416 442189208 /nfs/dbraw/zinc/18/92/08/442189208.db2.gz CBBHVEVKPOREBB-UHFFFAOYSA-N 2 2 340.435 1.081 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000152281217 442192492 /nfs/dbraw/zinc/19/24/92/442192492.db2.gz KWOIGXQPBMHZMW-HOJAQTOUSA-N 2 2 347.503 1.180 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000152281217 442192500 /nfs/dbraw/zinc/19/25/00/442192500.db2.gz KWOIGXQPBMHZMW-HOJAQTOUSA-N 2 2 347.503 1.180 20 0 EDADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000163256170 442153832 /nfs/dbraw/zinc/15/38/32/442153832.db2.gz AVQZSQBDXYOHJR-HOTGVXAUSA-N 2 2 325.497 1.772 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000127007433 442161686 /nfs/dbraw/zinc/16/16/86/442161686.db2.gz HYRYQLGTQDOVTO-CVEARBPZSA-N 2 2 341.415 1.250 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000127007433 442161688 /nfs/dbraw/zinc/16/16/88/442161688.db2.gz HYRYQLGTQDOVTO-CVEARBPZSA-N 2 2 341.415 1.250 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000176019091 442162347 /nfs/dbraw/zinc/16/23/47/442162347.db2.gz HBTOBROKGXTROZ-AWEZNQCLSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000176019091 442162349 /nfs/dbraw/zinc/16/23/49/442162349.db2.gz HBTOBROKGXTROZ-AWEZNQCLSA-N 2 2 328.501 1.373 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000165692034 442211107 /nfs/dbraw/zinc/21/11/07/442211107.db2.gz UONFPVUKKSTZPC-LLVKDONJSA-N 2 2 325.210 1.840 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000176347184 442212398 /nfs/dbraw/zinc/21/23/98/442212398.db2.gz BEXISYXIBJJARV-OAHLLOKOSA-N 2 2 327.432 1.975 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000176347184 442212402 /nfs/dbraw/zinc/21/24/02/442212402.db2.gz BEXISYXIBJJARV-OAHLLOKOSA-N 2 2 327.432 1.975 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000127567221 442212425 /nfs/dbraw/zinc/21/24/25/442212425.db2.gz APLNKBJHFMJBCJ-UHFFFAOYSA-N 2 2 342.443 1.448 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)C[C@H]3CCC[NH2+]3)CCCC2)no1 ZINC000166159149 442214124 /nfs/dbraw/zinc/21/41/24/442214124.db2.gz HGHCGWQSBRFYDG-CQSZACIVSA-N 2 2 349.479 1.939 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)cc1 ZINC000168948634 442225177 /nfs/dbraw/zinc/22/51/77/442225177.db2.gz GKWPAPIABLAPTL-QGZVFWFLSA-N 2 2 335.492 1.736 20 0 EDADLP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CSC[NH2+]3)c2)C[C@H](C)O1 ZINC000169195455 442226192 /nfs/dbraw/zinc/22/61/92/442226192.db2.gz SRADQLJUZWQSNH-HEHGZKQESA-N 2 2 335.473 1.897 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000170919064 442288808 /nfs/dbraw/zinc/28/88/08/442288808.db2.gz IQJFIZNNOJIRKG-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000170919064 442288810 /nfs/dbraw/zinc/28/88/10/442288810.db2.gz IQJFIZNNOJIRKG-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP COc1ccccc1CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177137191 442303538 /nfs/dbraw/zinc/30/35/38/442303538.db2.gz YFFVBGSKLQWLKO-UHFFFAOYSA-N 2 2 333.476 1.770 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(F)cc3nccnc32)CC1 ZINC000177140265 442304146 /nfs/dbraw/zinc/30/41/46/442304146.db2.gz IBIQCPNHYNSMJO-UHFFFAOYSA-N 2 2 345.422 1.525 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)n1 ZINC000129165732 442304224 /nfs/dbraw/zinc/30/42/24/442304224.db2.gz XDGJHGMTDAYGQT-UHFFFAOYSA-N 2 2 342.447 1.659 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1CCCC1 ZINC000129239160 442307496 /nfs/dbraw/zinc/30/74/96/442307496.db2.gz IPFZRBFJYKDUGG-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1CCCC1 ZINC000129239160 442307500 /nfs/dbraw/zinc/30/75/00/442307500.db2.gz IPFZRBFJYKDUGG-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCC(C)CC1 ZINC000171106122 442313419 /nfs/dbraw/zinc/31/34/19/442313419.db2.gz YDYJAKFXZHEDQY-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCC(C)CC1 ZINC000171106122 442313422 /nfs/dbraw/zinc/31/34/22/442313422.db2.gz YDYJAKFXZHEDQY-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP COc1cc(OC)c(OC)cc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000155507990 442403803 /nfs/dbraw/zinc/40/38/03/442403803.db2.gz DXKAHQFYXPKJEL-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP COC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000155188767 442380350 /nfs/dbraw/zinc/38/03/50/442380350.db2.gz CRGMGFMQCAHBFJ-LJQANCHMSA-N 2 2 334.460 1.912 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171907129 442389339 /nfs/dbraw/zinc/38/93/39/442389339.db2.gz ORWSBXQILHOIHC-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171907129 442389343 /nfs/dbraw/zinc/38/93/43/442389343.db2.gz ORWSBXQILHOIHC-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171907129 442389346 /nfs/dbraw/zinc/38/93/46/442389346.db2.gz ORWSBXQILHOIHC-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171907129 442389347 /nfs/dbraw/zinc/38/93/47/442389347.db2.gz ORWSBXQILHOIHC-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1COc2ccccc2O1 ZINC000178002357 442401080 /nfs/dbraw/zinc/40/10/80/442401080.db2.gz RHECMGOQWLUVJT-MRXNPFEDSA-N 2 2 347.459 1.312 20 0 EDADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1COc2ccccc2O1 ZINC000178002357 442401082 /nfs/dbraw/zinc/40/10/82/442401082.db2.gz RHECMGOQWLUVJT-MRXNPFEDSA-N 2 2 347.459 1.312 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000130832188 442358405 /nfs/dbraw/zinc/35/84/05/442358405.db2.gz SGQKQTBHESVZQS-QGZVFWFLSA-N 2 2 340.512 1.328 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000130832188 442358406 /nfs/dbraw/zinc/35/84/06/442358406.db2.gz SGQKQTBHESVZQS-QGZVFWFLSA-N 2 2 340.512 1.328 20 0 EDADLP CC(C)OCCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000171579332 442358766 /nfs/dbraw/zinc/35/87/66/442358766.db2.gz DXPCCYWJQWXABL-UHFFFAOYSA-N 2 2 328.501 1.469 20 0 EDADLP CC(C)OCCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000171579332 442358768 /nfs/dbraw/zinc/35/87/68/442358768.db2.gz DXPCCYWJQWXABL-UHFFFAOYSA-N 2 2 328.501 1.469 20 0 EDADLP COC(=O)c1ccc(N2CC[N@H+](CCn3cc[nH+]c3)[C@@H](C)C2)cc1 ZINC000130942894 442360749 /nfs/dbraw/zinc/36/07/49/442360749.db2.gz WWHGKGPOTFZGBV-HNNXBMFYSA-N 2 2 328.416 1.880 20 0 EDADLP COC(=O)c1ccc(N2CC[N@@H+](CCn3cc[nH+]c3)[C@@H](C)C2)cc1 ZINC000130942894 442360752 /nfs/dbraw/zinc/36/07/52/442360752.db2.gz WWHGKGPOTFZGBV-HNNXBMFYSA-N 2 2 328.416 1.880 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172149290 442415747 /nfs/dbraw/zinc/41/57/47/442415747.db2.gz PXNPGWGMDWQPLV-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172149290 442415750 /nfs/dbraw/zinc/41/57/50/442415750.db2.gz PXNPGWGMDWQPLV-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000172149290 442415753 /nfs/dbraw/zinc/41/57/53/442415753.db2.gz PXNPGWGMDWQPLV-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000172149290 442415756 /nfs/dbraw/zinc/41/57/56/442415756.db2.gz PXNPGWGMDWQPLV-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NCC[NH+](C)C)[NH+]2CCOCC2)c1 ZINC000133423360 442417512 /nfs/dbraw/zinc/41/75/12/442417512.db2.gz IQAULNRYTXWRKB-QGZVFWFLSA-N 2 2 334.464 1.229 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCCO1 ZINC000172172582 442419103 /nfs/dbraw/zinc/41/91/03/442419103.db2.gz ZWFYWAKHDDVWJY-MRXNPFEDSA-N 2 2 335.448 1.425 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCCO1 ZINC000172172582 442419104 /nfs/dbraw/zinc/41/91/04/442419104.db2.gz ZWFYWAKHDDVWJY-MRXNPFEDSA-N 2 2 335.448 1.425 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000155953226 442438493 /nfs/dbraw/zinc/43/84/93/442438493.db2.gz CJZJBQASUPWHNP-IRXDYDNUSA-N 2 2 348.491 1.699 20 0 EDADLP CSCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000178511271 442440125 /nfs/dbraw/zinc/44/01/25/442440125.db2.gz IHBFXHPHNBSYLT-UHFFFAOYSA-N 2 2 327.519 1.687 20 0 EDADLP CSCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000178511271 442440128 /nfs/dbraw/zinc/44/01/28/442440128.db2.gz IHBFXHPHNBSYLT-UHFFFAOYSA-N 2 2 327.519 1.687 20 0 EDADLP CCN(CC)C(=O)[C@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000179007941 442550097 /nfs/dbraw/zinc/55/00/97/442550097.db2.gz CQDQGHJURLNRME-QZTJIDSGSA-N 2 2 330.476 1.186 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000186533097 442555246 /nfs/dbraw/zinc/55/52/46/442555246.db2.gz BYYDJBLAMCJVOE-HOTGVXAUSA-N 2 2 343.475 1.929 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000186533097 442555247 /nfs/dbraw/zinc/55/52/47/442555247.db2.gz BYYDJBLAMCJVOE-HOTGVXAUSA-N 2 2 343.475 1.929 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000178886753 442514049 /nfs/dbraw/zinc/51/40/49/442514049.db2.gz ZOPFRSJPLKOZDU-UHFFFAOYSA-N 2 2 333.480 1.200 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000157467331 442586457 /nfs/dbraw/zinc/58/64/57/442586457.db2.gz CURAMNQTVXXSSX-UHFFFAOYSA-N 2 2 333.432 1.448 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000157467331 442586464 /nfs/dbraw/zinc/58/64/64/442586464.db2.gz CURAMNQTVXXSSX-UHFFFAOYSA-N 2 2 333.432 1.448 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000192091334 442589161 /nfs/dbraw/zinc/58/91/61/442589161.db2.gz WQQJRUIAKIRTFF-KBPBESRZSA-N 2 2 339.867 1.846 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000186577809 442564941 /nfs/dbraw/zinc/56/49/41/442564941.db2.gz GDIMWLKAFUTFBS-CYBMUJFWSA-N 2 2 327.856 1.961 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1 ZINC000186577809 442564946 /nfs/dbraw/zinc/56/49/46/442564946.db2.gz GDIMWLKAFUTFBS-CYBMUJFWSA-N 2 2 327.856 1.961 20 0 EDADLP COC(=O)c1occc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136066721 442648381 /nfs/dbraw/zinc/64/83/81/442648381.db2.gz YBNNHHJLJZCCOY-INIZCTEOSA-N 2 2 335.448 1.668 20 0 EDADLP COC(=O)c1occc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136066721 442648384 /nfs/dbraw/zinc/64/83/84/442648384.db2.gz YBNNHHJLJZCCOY-INIZCTEOSA-N 2 2 335.448 1.668 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000179293523 442614419 /nfs/dbraw/zinc/61/44/19/442614419.db2.gz SFJZWIHWVVBYGK-RDJZCZTQSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@H+]1C ZINC000179293523 442614424 /nfs/dbraw/zinc/61/44/24/442614424.db2.gz SFJZWIHWVVBYGK-RDJZCZTQSA-N 3 2 339.528 1.137 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H](O)c2ccccc2)CC1 ZINC000179301812 442616879 /nfs/dbraw/zinc/61/68/79/442616879.db2.gz QIQXEMAUYVEPAT-KRWDZBQOSA-N 2 2 334.464 1.045 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cocn3)c2)C1 ZINC000192310303 442630547 /nfs/dbraw/zinc/63/05/47/442630547.db2.gz AOESYZRXADAQID-MRXNPFEDSA-N 2 2 328.416 1.662 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cocn3)c2)C1 ZINC000192310303 442630551 /nfs/dbraw/zinc/63/05/51/442630551.db2.gz AOESYZRXADAQID-MRXNPFEDSA-N 2 2 328.416 1.662 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)c3coc(C[NH3+])c3)c[nH+]2)CCO1 ZINC000188064226 442706949 /nfs/dbraw/zinc/70/69/49/442706949.db2.gz WDUAGPYZRRLIMD-GFCCVEGCSA-N 2 2 330.388 1.288 20 0 EDADLP COC(=O)C1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000192742709 442682534 /nfs/dbraw/zinc/68/25/34/442682534.db2.gz VCCRFWWUSVOIQB-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP CCOC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180785367 442658970 /nfs/dbraw/zinc/65/89/70/442658970.db2.gz JZUGYQBAUGFKTL-CVEARBPZSA-N 2 2 349.479 1.297 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](CCOC(C)C)CC2)C1(C)C ZINC000188227092 442726732 /nfs/dbraw/zinc/72/67/32/442726732.db2.gz JPLQRBDYMUNSRU-QAPCUYQASA-N 2 2 341.496 1.088 20 0 EDADLP C[NH+]1CCC(CNC(=O)Cc2ccncc2)([NH+]2CCCCC2)CC1 ZINC000182056066 442732058 /nfs/dbraw/zinc/73/20/58/442732058.db2.gz WJPWNLIHIGQIGZ-UHFFFAOYSA-N 2 2 330.476 1.691 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324121 442739217 /nfs/dbraw/zinc/73/92/17/442739217.db2.gz VWBLVSOGUMDQNU-YLJYHZDGSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324121 442739218 /nfs/dbraw/zinc/73/92/18/442739218.db2.gz VWBLVSOGUMDQNU-YLJYHZDGSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188324121 442739220 /nfs/dbraw/zinc/73/92/20/442739220.db2.gz VWBLVSOGUMDQNU-YLJYHZDGSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188324121 442739224 /nfs/dbraw/zinc/73/92/24/442739224.db2.gz VWBLVSOGUMDQNU-YLJYHZDGSA-N 2 2 347.503 1.716 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3coc(C[NH3+])c3)cc2)CC1 ZINC000188116660 442713598 /nfs/dbraw/zinc/71/35/98/442713598.db2.gz VOPHASVRBZMJCK-UHFFFAOYSA-N 2 2 342.399 1.378 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000193873029 442802958 /nfs/dbraw/zinc/80/29/58/442802958.db2.gz RTFFHYRXOCKZTQ-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000193873029 442802961 /nfs/dbraw/zinc/80/29/61/442802961.db2.gz RTFFHYRXOCKZTQ-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP Nc1nsc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000267976120 442805074 /nfs/dbraw/zinc/80/50/74/442805074.db2.gz VYUZOANPXPPJCM-UHFFFAOYSA-N 2 2 341.444 1.628 20 0 EDADLP CC[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+](CC)CC ZINC000265464556 442783598 /nfs/dbraw/zinc/78/35/98/442783598.db2.gz YFXODGQEGUNUGR-MRXNPFEDSA-N 2 2 334.464 1.655 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000268049265 442829230 /nfs/dbraw/zinc/82/92/30/442829230.db2.gz UGAAOGCNKZWGCY-UHFFFAOYSA-N 2 2 325.478 1.650 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000268089202 442843368 /nfs/dbraw/zinc/84/33/68/442843368.db2.gz AJVGNLODABHNBI-CZUORRHYSA-N 2 2 327.432 1.659 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000268089202 442843370 /nfs/dbraw/zinc/84/33/70/442843370.db2.gz AJVGNLODABHNBI-CZUORRHYSA-N 2 2 327.432 1.659 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)[nH+]c2c1 ZINC000268094926 442845280 /nfs/dbraw/zinc/84/52/80/442845280.db2.gz COOKLXVXNQMOJW-CZUORRHYSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)[nH+]c2c1 ZINC000268094926 442845282 /nfs/dbraw/zinc/84/52/82/442845282.db2.gz COOKLXVXNQMOJW-CZUORRHYSA-N 2 2 327.432 1.925 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccsc1 ZINC000188952974 442848049 /nfs/dbraw/zinc/84/80/49/442848049.db2.gz GTLVKEVVFQRSAH-UHFFFAOYSA-N 2 2 338.477 1.171 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccsc1 ZINC000188952974 442848050 /nfs/dbraw/zinc/84/80/50/442848050.db2.gz GTLVKEVVFQRSAH-UHFFFAOYSA-N 2 2 338.477 1.171 20 0 EDADLP CC(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000265663628 442869478 /nfs/dbraw/zinc/86/94/78/442869478.db2.gz XSYICVPXVCAGOH-UHFFFAOYSA-N 2 2 331.460 1.987 20 0 EDADLP CC(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000265663628 442869482 /nfs/dbraw/zinc/86/94/82/442869482.db2.gz XSYICVPXVCAGOH-UHFFFAOYSA-N 2 2 331.460 1.987 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(Cc4cccnc4)nn3)CC[C@@H]21 ZINC000183127131 442885224 /nfs/dbraw/zinc/88/52/24/442885224.db2.gz IZAOHDGHFLMXAL-WMZOPIPTSA-N 2 2 326.448 1.638 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(Cc4cccnc4)nn3)CC[C@@H]21 ZINC000183127131 442885226 /nfs/dbraw/zinc/88/52/26/442885226.db2.gz IZAOHDGHFLMXAL-WMZOPIPTSA-N 2 2 326.448 1.638 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(Cc4cccnc4)nn3)CC[C@@H]21 ZINC000183127131 442885228 /nfs/dbraw/zinc/88/52/28/442885228.db2.gz IZAOHDGHFLMXAL-WMZOPIPTSA-N 2 2 326.448 1.638 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(Cc4cccnc4)nn3)CC[C@@H]21 ZINC000183127131 442885230 /nfs/dbraw/zinc/88/52/30/442885230.db2.gz IZAOHDGHFLMXAL-WMZOPIPTSA-N 2 2 326.448 1.638 20 0 EDADLP CN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000182945228 318515476 /nfs/dbraw/zinc/51/54/76/318515476.db2.gz REYMYLALTRWHRY-UHFFFAOYSA-N 2 2 334.464 1.934 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000189370813 442932192 /nfs/dbraw/zinc/93/21/92/442932192.db2.gz KNBRKYZMWOSZIV-UHFFFAOYSA-N 2 2 330.432 1.437 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC[N@H+]1CCCOCC1 ZINC000189370813 442932195 /nfs/dbraw/zinc/93/21/95/442932195.db2.gz KNBRKYZMWOSZIV-UHFFFAOYSA-N 2 2 330.432 1.437 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000183769351 442962790 /nfs/dbraw/zinc/96/27/90/442962790.db2.gz XRZKSBDRRJJDHT-QGZVFWFLSA-N 2 2 342.443 1.655 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC000183772951 442963048 /nfs/dbraw/zinc/96/30/48/442963048.db2.gz WHBKIDXGUIIXCI-QGZVFWFLSA-N 2 2 345.491 1.146 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC000183772951 442963052 /nfs/dbraw/zinc/96/30/52/442963052.db2.gz WHBKIDXGUIIXCI-QGZVFWFLSA-N 2 2 345.491 1.146 20 0 EDADLP CC(C)[C@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)[NH+]1CCOCC1 ZINC000268436017 442988682 /nfs/dbraw/zinc/98/86/82/442988682.db2.gz SKXBLODOGXDXQW-ZDUSSCGKSA-N 2 2 331.424 1.013 20 0 EDADLP COC[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000251940184 443021651 /nfs/dbraw/zinc/02/16/51/443021651.db2.gz UPAINKDYQKESMD-SZMVWBNQSA-N 2 2 349.475 1.141 20 0 EDADLP COC[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000251940184 443021656 /nfs/dbraw/zinc/02/16/56/443021656.db2.gz UPAINKDYQKESMD-SZMVWBNQSA-N 2 2 349.475 1.141 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CCO)c3ccco3)cn2)CC1 ZINC000184514142 443032999 /nfs/dbraw/zinc/03/29/99/443032999.db2.gz JCACKHRGDXRSIX-OAHLLOKOSA-N 2 2 331.420 1.035 20 0 EDADLP C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1CC(C)(C)O ZINC000189936503 443033535 /nfs/dbraw/zinc/03/35/35/443033535.db2.gz YMRPDTRIGMCWAA-HNNXBMFYSA-N 2 2 329.448 1.544 20 0 EDADLP C[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1CC(C)(C)O ZINC000189936503 443033539 /nfs/dbraw/zinc/03/35/39/443033539.db2.gz YMRPDTRIGMCWAA-HNNXBMFYSA-N 2 2 329.448 1.544 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1Cc2ccccc2C1 ZINC000184916850 443097497 /nfs/dbraw/zinc/09/74/97/443097497.db2.gz ANCXLCFATYXYBG-UHFFFAOYSA-N 2 2 344.503 1.821 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1Cc2ccccc2C1 ZINC000184916850 443097500 /nfs/dbraw/zinc/09/75/00/443097500.db2.gz ANCXLCFATYXYBG-UHFFFAOYSA-N 2 2 344.503 1.821 20 0 EDADLP Cc1nc(N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc[nH+]1 ZINC000184945745 443104442 /nfs/dbraw/zinc/10/44/42/443104442.db2.gz BAEKPVNCRNZYGH-UHFFFAOYSA-N 2 2 339.443 1.809 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(N2CCOC2=O)c1 ZINC000268923241 443147765 /nfs/dbraw/zinc/14/77/65/443147765.db2.gz PHJVZVUULIAGAN-YOEHRIQHSA-N 2 2 332.448 1.540 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(N2CCOC2=O)c1 ZINC000268923241 443147769 /nfs/dbraw/zinc/14/77/69/443147769.db2.gz PHJVZVUULIAGAN-YOEHRIQHSA-N 2 2 332.448 1.540 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C[C@@H]1CCCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000261853122 443171787 /nfs/dbraw/zinc/17/17/87/443171787.db2.gz YFNBHALRJSQBJZ-HOTGVXAUSA-N 2 2 346.475 1.850 20 0 EDADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000237934580 443189752 /nfs/dbraw/zinc/18/97/52/443189752.db2.gz XZPULUHKJSJCHC-QGZVFWFLSA-N 2 2 346.475 1.847 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000301587220 318915108 /nfs/dbraw/zinc/91/51/08/318915108.db2.gz RTQBCFFTRZEZBK-CVEARBPZSA-N 2 2 331.464 1.624 20 0 EDADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000261617551 443161561 /nfs/dbraw/zinc/16/15/61/443161561.db2.gz AHSTWKABMOEWNJ-CABCVRRESA-N 2 2 337.489 1.627 20 0 EDADLP CC[C@H](CCO)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269219228 443237939 /nfs/dbraw/zinc/23/79/39/443237939.db2.gz MIHKVVVDXALQSW-QAPCUYQASA-N 2 2 344.459 1.326 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000262856092 443214868 /nfs/dbraw/zinc/21/48/68/443214868.db2.gz KRFMXKRLTMIGPB-FUHWJXTLSA-N 2 2 349.475 1.100 20 0 EDADLP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000382877054 319124882 /nfs/dbraw/zinc/12/48/82/319124882.db2.gz XVCZYRWXOYFSRU-CVEARBPZSA-N 2 2 342.528 1.619 20 0 EDADLP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000382877054 319124885 /nfs/dbraw/zinc/12/48/85/319124885.db2.gz XVCZYRWXOYFSRU-CVEARBPZSA-N 2 2 342.528 1.619 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)c(C)[nH+]1 ZINC000411141932 319167611 /nfs/dbraw/zinc/16/76/11/319167611.db2.gz ZLCMSKJNADABGU-UHFFFAOYSA-N 2 2 341.415 1.723 20 0 EDADLP C[N@H+]([C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](CCO)CC1 ZINC000411240626 319173009 /nfs/dbraw/zinc/17/30/09/319173009.db2.gz OGWZKKJMVWWSLV-QGZVFWFLSA-N 2 2 335.423 1.320 20 0 EDADLP C[N@@H+]([C@@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](CCO)CC1 ZINC000411240626 319173010 /nfs/dbraw/zinc/17/30/10/319173010.db2.gz OGWZKKJMVWWSLV-QGZVFWFLSA-N 2 2 335.423 1.320 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC(F)(F)F ZINC000269259666 443254728 /nfs/dbraw/zinc/25/47/28/443254728.db2.gz ZDYRALRCNPBJNO-ZDUSSCGKSA-N 2 2 326.322 1.480 20 0 EDADLP CC1CCC(NC(=O)C[NH+]2CCN(CC[NH2+]C(C)(C)C)CC2)CC1 ZINC000414689291 319342755 /nfs/dbraw/zinc/34/27/55/319342755.db2.gz FQCWSGYWDHCERN-UHFFFAOYSA-N 2 2 338.540 1.687 20 0 EDADLP CN(C)c1cc(NC(=O)N[C@@H](C[NH3+])C2CC2)[nH+]cc1Br ZINC000415792760 319370347 /nfs/dbraw/zinc/37/03/47/319370347.db2.gz SIRPSTCLUIHEMY-JTQLQIEISA-N 2 2 342.241 1.769 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000415958940 319385358 /nfs/dbraw/zinc/38/53/58/319385358.db2.gz OJHWGSIFJMVALE-OAHLLOKOSA-N 3 2 345.491 1.778 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000415958940 319385359 /nfs/dbraw/zinc/38/53/59/319385359.db2.gz OJHWGSIFJMVALE-OAHLLOKOSA-N 3 2 345.491 1.778 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416816864 319463938 /nfs/dbraw/zinc/46/39/38/319463938.db2.gz HQFKMGJDRLSPNU-UONOGXRCSA-N 2 2 340.493 1.276 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)C[C@H]1[NH3+] ZINC000416909501 319471982 /nfs/dbraw/zinc/47/19/82/319471982.db2.gz LABDLEFYSFWHEY-KCPJHIHWSA-N 2 2 331.395 1.637 20 0 EDADLP COc1ccc([C@H](NC(=O)NCC[C@@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000416912604 319472615 /nfs/dbraw/zinc/47/26/15/319472615.db2.gz UOVFWALTMZWBHL-DOMZBBRYSA-N 2 2 331.420 1.555 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000416913838 319473088 /nfs/dbraw/zinc/47/30/88/319473088.db2.gz GGWWTCFLZBALJX-HUUCEWRRSA-N 2 2 331.395 1.781 20 0 EDADLP CCC[NH2+]CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416919220 319474596 /nfs/dbraw/zinc/47/45/96/319474596.db2.gz MDPTTXWUBGMZDM-HNNXBMFYSA-N 2 2 333.411 1.947 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@@H]2C1 ZINC000272452620 443323150 /nfs/dbraw/zinc/32/31/50/443323150.db2.gz MWYXRQFNYVTQTE-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@@H]2C1 ZINC000272452620 443323152 /nfs/dbraw/zinc/32/31/52/443323152.db2.gz MWYXRQFNYVTQTE-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000264686800 443374400 /nfs/dbraw/zinc/37/44/00/443374400.db2.gz CLIPRBMXTWNDOB-SFHVURJKSA-N 2 2 347.507 1.054 20 0 EDADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000264686800 443374401 /nfs/dbraw/zinc/37/44/01/443374401.db2.gz CLIPRBMXTWNDOB-SFHVURJKSA-N 2 2 347.507 1.054 20 0 EDADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000264686800 443374403 /nfs/dbraw/zinc/37/44/03/443374403.db2.gz CLIPRBMXTWNDOB-SFHVURJKSA-N 2 2 347.507 1.054 20 0 EDADLP CN1CC[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000264686800 443374404 /nfs/dbraw/zinc/37/44/04/443374404.db2.gz CLIPRBMXTWNDOB-SFHVURJKSA-N 2 2 347.507 1.054 20 0 EDADLP COc1cc2[nH+]c(N[C@@H](C)C[NH+]3CCOCC3)nc(N)c2cc1OC ZINC000264662987 443366001 /nfs/dbraw/zinc/36/60/01/443366001.db2.gz SXCCBYKNMRHCJL-NSHDSACASA-N 2 2 347.419 1.362 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000267328903 443420011 /nfs/dbraw/zinc/42/00/11/443420011.db2.gz FLBUTDSYRNDLHE-HZPDHXFCSA-N 2 2 334.464 1.980 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC(c4[nH]cc[nH+]4)CC3)[nH+]cn2)C1 ZINC000264960988 443492639 /nfs/dbraw/zinc/49/26/39/443492639.db2.gz XFYZYRJMYAELBC-AWEZNQCLSA-N 2 2 342.447 1.792 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC(c4[nH]cc[nH+]4)CC3)nc[nH+]2)C1 ZINC000264960988 443492643 /nfs/dbraw/zinc/49/26/43/443492643.db2.gz XFYZYRJMYAELBC-AWEZNQCLSA-N 2 2 342.447 1.792 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000278978416 443479649 /nfs/dbraw/zinc/47/96/49/443479649.db2.gz YGUFLINRBRAIQZ-UHFFFAOYSA-N 2 2 349.475 1.354 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000264839180 443448330 /nfs/dbraw/zinc/44/83/30/443448330.db2.gz AHMMELSEXRCNCZ-LJQANCHMSA-N 3 2 346.519 1.774 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000264839180 443448336 /nfs/dbraw/zinc/44/83/36/443448336.db2.gz AHMMELSEXRCNCZ-LJQANCHMSA-N 3 2 346.519 1.774 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000269808523 443450250 /nfs/dbraw/zinc/45/02/50/443450250.db2.gz LRSXQIKNTUNELX-CQSZACIVSA-N 2 2 341.253 1.499 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000278843131 443458547 /nfs/dbraw/zinc/45/85/47/443458547.db2.gz KRIWCJREJLNFNJ-HNNXBMFYSA-N 2 2 341.459 1.588 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422728787 319733775 /nfs/dbraw/zinc/73/37/75/319733775.db2.gz ARFUVUNGSLKKGP-SJORKVTESA-N 2 2 339.505 1.994 20 0 EDADLP C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272856169 443468757 /nfs/dbraw/zinc/46/87/57/443468757.db2.gz TYLRQAXIUNVDRC-IEZWGBDMSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272856169 443468762 /nfs/dbraw/zinc/46/87/62/443468762.db2.gz TYLRQAXIUNVDRC-IEZWGBDMSA-N 2 2 328.460 1.954 20 0 EDADLP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)nn1 ZINC000423128108 319751442 /nfs/dbraw/zinc/75/14/42/319751442.db2.gz VCLKQSRIORHNBH-MUIFIZLQSA-N 2 2 337.468 1.265 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)O)CC1 ZINC000265103358 443533807 /nfs/dbraw/zinc/53/38/07/443533807.db2.gz FPOIPGUEGNHYCO-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)O)CC1 ZINC000265103358 443533811 /nfs/dbraw/zinc/53/38/11/443533811.db2.gz FPOIPGUEGNHYCO-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccc(O)cc1 ZINC000265222699 443575224 /nfs/dbraw/zinc/57/52/24/443575224.db2.gz XDIXGSUTBIMTJK-UHFFFAOYSA-N 2 2 348.491 1.602 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccc(O)cc1 ZINC000265222699 443575227 /nfs/dbraw/zinc/57/52/27/443575227.db2.gz XDIXGSUTBIMTJK-UHFFFAOYSA-N 2 2 348.491 1.602 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C1 ZINC000273121932 443542773 /nfs/dbraw/zinc/54/27/73/443542773.db2.gz RMYHPUVXCRLXKL-KRWDZBQOSA-N 2 2 331.460 1.666 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C1 ZINC000273121932 443542777 /nfs/dbraw/zinc/54/27/77/443542777.db2.gz RMYHPUVXCRLXKL-KRWDZBQOSA-N 2 2 331.460 1.666 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)n1C ZINC000265152833 443551634 /nfs/dbraw/zinc/55/16/34/443551634.db2.gz ZGBNXROQQVZQHY-MRXNPFEDSA-N 2 2 329.448 1.275 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000272381033 443607906 /nfs/dbraw/zinc/60/79/06/443607906.db2.gz VLZTYTRYXFHYGA-CQSZACIVSA-N 2 2 329.404 1.060 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000272381033 443607909 /nfs/dbraw/zinc/60/79/09/443607909.db2.gz VLZTYTRYXFHYGA-CQSZACIVSA-N 2 2 329.404 1.060 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c[nH+]1 ZINC000272407282 443615963 /nfs/dbraw/zinc/61/59/63/443615963.db2.gz DYDSBJIPDJQTHZ-JKSUJKDBSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c[nH+]1 ZINC000272407282 443615966 /nfs/dbraw/zinc/61/59/66/443615966.db2.gz 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ZINC000447403048 320141182 /nfs/dbraw/zinc/14/11/82/320141182.db2.gz NFXQUIXTVUHBDG-LPHOPBHVSA-N 2 2 347.459 1.799 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC000449386480 320186600 /nfs/dbraw/zinc/18/66/00/320186600.db2.gz IOSGBORIPRBESQ-YYIAUSFCSA-N 2 2 326.481 1.791 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC000449386480 320186602 /nfs/dbraw/zinc/18/66/02/320186602.db2.gz IOSGBORIPRBESQ-YYIAUSFCSA-N 2 2 326.481 1.791 20 0 EDADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389811 320186706 /nfs/dbraw/zinc/18/67/06/320186706.db2.gz UDKIGYCTSHEHJT-PBHICJAKSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389811 320186710 /nfs/dbraw/zinc/18/67/10/320186710.db2.gz UDKIGYCTSHEHJT-PBHICJAKSA-N 2 2 337.439 1.979 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000286215210 443669375 /nfs/dbraw/zinc/66/93/75/443669375.db2.gz BGIJQKOLKAPEEA-SFHVURJKSA-N 2 2 346.475 1.470 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000286215210 443669378 /nfs/dbraw/zinc/66/93/78/443669378.db2.gz BGIJQKOLKAPEEA-SFHVURJKSA-N 2 2 346.475 1.470 20 0 EDADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000457729086 320333995 /nfs/dbraw/zinc/33/39/95/320333995.db2.gz DQQFKQCQGBWFBA-QGZVFWFLSA-N 2 2 348.491 1.699 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C[C@@H]12 ZINC000517019106 320445414 /nfs/dbraw/zinc/44/54/14/320445414.db2.gz SOFATQJTNQLBQZ-KZNAEPCWSA-N 2 2 339.443 1.810 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000298543783 443795280 /nfs/dbraw/zinc/79/52/80/443795280.db2.gz TZOJVPOEDUWCEB-UHFFFAOYSA-N 3 2 329.492 1.550 20 0 EDADLP C[NH+]1CCN(c2ncccc2CNC2CC[NH+](C3CC3)CC2)CC1 ZINC000298543783 443795286 /nfs/dbraw/zinc/79/52/86/443795286.db2.gz TZOJVPOEDUWCEB-UHFFFAOYSA-N 2 2 329.492 1.550 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NCC(F)F ZINC000280816426 443750098 /nfs/dbraw/zinc/75/00/98/443750098.db2.gz JQJWODRIRKEYON-UHFFFAOYSA-N 2 2 325.403 1.664 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000298613033 443817586 /nfs/dbraw/zinc/81/75/86/443817586.db2.gz OHUCDECSIDJQTB-CQSZACIVSA-N 2 2 325.478 1.386 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)NCCc3[nH]cc[nH+]3)CC2)cs1 ZINC000531054507 320647083 /nfs/dbraw/zinc/64/70/83/320647083.db2.gz VSGJLYSUMMQFLP-UHFFFAOYSA-N 2 2 333.461 1.746 20 0 EDADLP C[C@]1(C(N)=O)CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285194653 443890651 /nfs/dbraw/zinc/89/06/51/443890651.db2.gz FAZLMANMWDZGGS-IBGZPJMESA-N 2 2 330.476 1.396 20 0 EDADLP C[C@]1(C(N)=O)CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285194653 443890653 /nfs/dbraw/zinc/89/06/53/443890653.db2.gz FAZLMANMWDZGGS-IBGZPJMESA-N 2 2 330.476 1.396 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000298946468 443909892 /nfs/dbraw/zinc/90/98/92/443909892.db2.gz KMOKPHGAVIRJML-HNNXBMFYSA-N 2 2 342.447 1.630 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000541266988 320769757 /nfs/dbraw/zinc/76/97/57/320769757.db2.gz OAKXLOSMJSPRKI-AWEZNQCLSA-N 2 2 328.416 1.661 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)[C@@H]1c1ccccc1 ZINC000293068914 443916984 /nfs/dbraw/zinc/91/69/84/443916984.db2.gz SATFFJUVWMQRDA-IRXDYDNUSA-N 2 2 325.416 1.854 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]C3CCC4(CC3)NC(=O)NC4=O)n2c1 ZINC000285575449 444034895 /nfs/dbraw/zinc/03/48/95/444034895.db2.gz UTEATTHKGRRGJK-UHFFFAOYSA-N 2 2 327.388 1.253 20 0 EDADLP C[C@H]1CCC[C@@](CNC(=O)C(=O)N(C)Cc2[nH+]ccn2C)([NH+](C)C)C1 ZINC000285544997 444023260 /nfs/dbraw/zinc/02/32/60/444023260.db2.gz QFVPWKWIZPYERG-KBXCAEBGSA-N 2 2 349.479 1.005 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[C@H]1[NH+](C)C ZINC000554542777 320953315 /nfs/dbraw/zinc/95/33/15/320953315.db2.gz PJCDAMQSCABZRN-UKRRQHHQSA-N 2 2 328.420 1.740 20 0 EDADLP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000293641857 444077793 /nfs/dbraw/zinc/07/77/93/444077793.db2.gz IDOBEAKTFUTWCZ-KRWDZBQOSA-N 2 2 346.454 1.650 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000293641857 444077798 /nfs/dbraw/zinc/07/77/98/444077798.db2.gz IDOBEAKTFUTWCZ-KRWDZBQOSA-N 2 2 346.454 1.650 20 0 EDADLP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299553411 444078066 /nfs/dbraw/zinc/07/80/66/444078066.db2.gz QYCAQSWSJRXMCV-IBGZPJMESA-N 2 2 344.503 1.535 20 0 EDADLP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299553411 444078070 /nfs/dbraw/zinc/07/80/70/444078070.db2.gz QYCAQSWSJRXMCV-IBGZPJMESA-N 2 2 344.503 1.535 20 0 EDADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCc3c1cnn3-c1ncccn1)CC2 ZINC000562365038 321054006 /nfs/dbraw/zinc/05/40/06/321054006.db2.gz GNMVOWMWIQYILA-HIFRSBDPSA-N 2 2 335.415 1.841 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000562816961 321078527 /nfs/dbraw/zinc/07/85/27/321078527.db2.gz RAJSSSJWQFMEMM-GDBMZVCRSA-N 2 2 331.464 1.846 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000562957062 321083286 /nfs/dbraw/zinc/08/32/86/321083286.db2.gz RRMDTWJSGJARFA-KBRIMQKVSA-N 2 2 335.423 1.283 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)Cn3cncn3)c2cc1C ZINC000562988432 321085192 /nfs/dbraw/zinc/08/51/92/321085192.db2.gz ZMONPOXPRMPYKZ-CABCVRRESA-N 2 2 328.420 1.284 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)C[C@@H]3C[NH2+]CCO3)ccc2n1C1CC1 ZINC000563094936 321095086 /nfs/dbraw/zinc/09/50/86/321095086.db2.gz KVQNCJMZENNUJJ-OAHLLOKOSA-N 2 2 328.416 1.674 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000563369416 321106087 /nfs/dbraw/zinc/10/60/87/321106087.db2.gz FHJMUDDOCNOOTL-INIZCTEOSA-N 2 2 338.883 1.306 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000563545299 321111331 /nfs/dbraw/zinc/11/13/31/321111331.db2.gz KUSDZGSNONZBQB-AWEZNQCLSA-N 2 2 341.427 1.003 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000563545299 321111332 /nfs/dbraw/zinc/11/13/32/321111332.db2.gz KUSDZGSNONZBQB-AWEZNQCLSA-N 2 2 341.427 1.003 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000565190113 321175955 /nfs/dbraw/zinc/17/59/55/321175955.db2.gz UWWLDYJVYLKZPJ-UHFFFAOYSA-N 2 2 347.463 1.158 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000565190113 321175957 /nfs/dbraw/zinc/17/59/57/321175957.db2.gz UWWLDYJVYLKZPJ-UHFFFAOYSA-N 2 2 347.463 1.158 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565233931 321177745 /nfs/dbraw/zinc/17/77/45/321177745.db2.gz ZONRLPTYUSFGCP-TZMCWYRMSA-N 2 2 326.400 1.300 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000565344466 321182345 /nfs/dbraw/zinc/18/23/45/321182345.db2.gz JUDAUYAQTHSHNQ-HNNXBMFYSA-N 2 2 333.411 1.343 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000565344466 321182347 /nfs/dbraw/zinc/18/23/47/321182347.db2.gz JUDAUYAQTHSHNQ-HNNXBMFYSA-N 2 2 333.411 1.343 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)c1 ZINC000565369268 321184513 /nfs/dbraw/zinc/18/45/13/321184513.db2.gz ZJLDZDJVGVQMCR-CQSZACIVSA-N 2 2 329.404 1.587 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3OCC(F)(F)F)CCN2C1=O ZINC000565667602 321196835 /nfs/dbraw/zinc/19/68/35/321196835.db2.gz NNROVSFQEDANMR-CHWSQXEVSA-N 2 2 343.349 1.372 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)CCN2C1=O ZINC000565667602 321196836 /nfs/dbraw/zinc/19/68/36/321196836.db2.gz NNROVSFQEDANMR-CHWSQXEVSA-N 2 2 343.349 1.372 20 0 EDADLP c1nc(N2CCC(CC[NH+]3CCOCC3)CC2)cc(NC2CC2)[nH+]1 ZINC000565937912 321207021 /nfs/dbraw/zinc/20/70/21/321207021.db2.gz CHRAIXFBIYMLMF-UHFFFAOYSA-N 2 2 331.464 1.990 20 0 EDADLP c1nc(NC2CC2)cc(N2CCC(CC[NH+]3CCOCC3)CC2)[nH+]1 ZINC000565937912 321207022 /nfs/dbraw/zinc/20/70/22/321207022.db2.gz CHRAIXFBIYMLMF-UHFFFAOYSA-N 2 2 331.464 1.990 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566010427 321210658 /nfs/dbraw/zinc/21/06/58/321210658.db2.gz UEOJTNCZDTYWAS-YLJYHZDGSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000566010427 321210660 /nfs/dbraw/zinc/21/06/60/321210660.db2.gz UEOJTNCZDTYWAS-YLJYHZDGSA-N 2 2 345.487 1.954 20 0 EDADLP CCO[C@H](CC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000567626960 321249582 /nfs/dbraw/zinc/24/95/82/321249582.db2.gz PTCMFNLVLRRKND-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CCO[C@H](CC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000567626960 321249584 /nfs/dbraw/zinc/24/95/84/321249584.db2.gz PTCMFNLVLRRKND-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(OC)CCCC3)CC2)CC1 ZINC000567626993 321249670 /nfs/dbraw/zinc/24/96/70/321249670.db2.gz YQGDJXZXAHSPKK-UHFFFAOYSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(OC)CCCC3)CC2)CC1 ZINC000567626993 321249671 /nfs/dbraw/zinc/24/96/71/321249671.db2.gz YQGDJXZXAHSPKK-UHFFFAOYSA-N 2 2 337.508 1.964 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000568184865 321279040 /nfs/dbraw/zinc/27/90/40/321279040.db2.gz LOGPCXDYEHYQMF-OAHLLOKOSA-N 2 2 342.443 1.737 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000568184865 321279041 /nfs/dbraw/zinc/27/90/41/321279041.db2.gz LOGPCXDYEHYQMF-OAHLLOKOSA-N 2 2 342.443 1.737 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC2CC[NH2+]CC2)[NH+]2CCOCC2)cc1 ZINC000568229516 321283475 /nfs/dbraw/zinc/28/34/75/321283475.db2.gz ISJDDAYWIWPKQV-GOSISDBHSA-N 2 2 346.475 1.420 20 0 EDADLP C[NH+]1CCC(CNC(=O)C(=O)c2ccc[nH]2)([NH+]2CCCCC2)CC1 ZINC000569921892 321331839 /nfs/dbraw/zinc/33/18/39/321331839.db2.gz KRXQWZYEJNVDJR-UHFFFAOYSA-N 2 2 332.448 1.264 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)CCC2 ZINC000570261086 321343019 /nfs/dbraw/zinc/34/30/19/321343019.db2.gz PQKVDWRBDKOWHW-OAHLLOKOSA-N 2 2 349.479 1.479 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(OC(F)F)cc1 ZINC000571148199 321375088 /nfs/dbraw/zinc/37/50/88/321375088.db2.gz BNMSWZZLGPXHHW-DGCLKSJQSA-N 2 2 342.390 1.633 20 0 EDADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000571408023 321386375 /nfs/dbraw/zinc/38/63/75/321386375.db2.gz OUZPURMUYSBQNY-XBFCOCLRSA-N 2 2 338.477 1.688 20 0 EDADLP Cn1ncc(C[NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000289398556 444130713 /nfs/dbraw/zinc/13/07/13/444130713.db2.gz NPOVZKOBULSNTO-AWEZNQCLSA-N 2 2 332.477 1.758 20 0 EDADLP Cn1ncc(C[NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000289398556 444130718 /nfs/dbraw/zinc/13/07/18/444130718.db2.gz NPOVZKOBULSNTO-AWEZNQCLSA-N 2 2 332.477 1.758 20 0 EDADLP CNC(=O)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285883963 444140743 /nfs/dbraw/zinc/14/07/43/444140743.db2.gz FUHISSJKEVTPTD-UHFFFAOYSA-N 2 2 344.503 1.657 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)oc1C ZINC000282297075 444141693 /nfs/dbraw/zinc/14/16/93/444141693.db2.gz SJPACQXYWZSZFT-GOEBONIOSA-N 2 2 335.448 1.480 20 0 EDADLP C[C@H]1C[NH+](CCCNc2cc(N3CCOCC3)[nH+]cn2)C[C@H](C)O1 ZINC000301268058 444159196 /nfs/dbraw/zinc/15/91/96/444159196.db2.gz FYVCPHCZGQETQQ-GJZGRUSLSA-N 2 2 335.452 1.224 20 0 EDADLP C[C@H]1C[NH+](CCCNc2cc(N3CCOCC3)nc[nH+]2)C[C@H](C)O1 ZINC000301268058 444159197 /nfs/dbraw/zinc/15/91/97/444159197.db2.gz FYVCPHCZGQETQQ-GJZGRUSLSA-N 2 2 335.452 1.224 20 0 EDADLP COCc1nc(C)cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000301447239 444172381 /nfs/dbraw/zinc/17/23/81/444172381.db2.gz YXPKIGPBPGDXOS-UHFFFAOYSA-N 2 2 333.480 1.902 20 0 EDADLP COC(=O)[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285980160 444168279 /nfs/dbraw/zinc/16/82/79/444168279.db2.gz MCFIWLZWCCIACV-KRWDZBQOSA-N 2 2 331.460 1.694 20 0 EDADLP COC(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285980160 444168282 /nfs/dbraw/zinc/16/82/82/444168282.db2.gz MCFIWLZWCCIACV-KRWDZBQOSA-N 2 2 331.460 1.694 20 0 EDADLP C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000296190389 444210837 /nfs/dbraw/zinc/21/08/37/444210837.db2.gz LQSOMMQYQXKULZ-GDBMZVCRSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000296190389 444210839 /nfs/dbraw/zinc/21/08/39/444210839.db2.gz LQSOMMQYQXKULZ-GDBMZVCRSA-N 2 2 337.489 1.238 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301472450 444173578 /nfs/dbraw/zinc/17/35/78/444173578.db2.gz QAVLRDSSCDOCKF-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP Cc1cc(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000301669956 444184440 /nfs/dbraw/zinc/18/44/40/444184440.db2.gz YJHCFOGSCWXLPJ-OAHLLOKOSA-N 2 2 331.464 1.651 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000302740408 444222303 /nfs/dbraw/zinc/22/23/03/444222303.db2.gz QHRSZPVMDCALES-YESZJQIVSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000302740408 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2 336.480 1.566 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329781426 444714901 /nfs/dbraw/zinc/71/49/01/444714901.db2.gz NGRGZEOEWWVSPX-OAGGEKHMSA-N 2 2 336.480 1.566 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000338500492 444723013 /nfs/dbraw/zinc/72/30/13/444723013.db2.gz HBWQYIAOOJLPDU-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000338500492 444723017 /nfs/dbraw/zinc/72/30/17/444723017.db2.gz HBWQYIAOOJLPDU-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000329739091 444698217 /nfs/dbraw/zinc/69/82/17/444698217.db2.gz USXGKXLCHDDBQQ-IIAWOOMASA-N 2 2 331.464 1.865 20 0 EDADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[N@H+]1C1CC1 ZINC000329739091 444698223 /nfs/dbraw/zinc/69/82/23/444698223.db2.gz USXGKXLCHDDBQQ-IIAWOOMASA-N 2 2 331.464 1.865 20 0 EDADLP C[N@H+](CC[C@@H]1CCCO1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342571001 444749363 /nfs/dbraw/zinc/74/93/63/444749363.db2.gz QHHAQORZHCMKFY-INIZCTEOSA-N 2 2 335.448 1.425 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCO1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342571001 444749366 /nfs/dbraw/zinc/74/93/66/444749366.db2.gz QHHAQORZHCMKFY-INIZCTEOSA-N 2 2 335.448 1.425 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@@H+]3C)nc[nH+]2)C1 ZINC000334027698 444751716 /nfs/dbraw/zinc/75/17/16/444751716.db2.gz IMBWBFYMNLEQQR-YESZJQIVSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@H+]3C)nc[nH+]2)C1 ZINC000334027698 444751722 /nfs/dbraw/zinc/75/17/22/444751722.db2.gz IMBWBFYMNLEQQR-YESZJQIVSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@@H+]3C)[nH+]cn2)C1 ZINC000334027698 444751727 /nfs/dbraw/zinc/75/17/27/444751727.db2.gz IMBWBFYMNLEQQR-YESZJQIVSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@H+]3C)[nH+]cn2)C1 ZINC000334027698 444751730 /nfs/dbraw/zinc/75/17/30/444751730.db2.gz IMBWBFYMNLEQQR-YESZJQIVSA-N 2 2 347.507 1.994 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000334078130 444772126 /nfs/dbraw/zinc/77/21/26/444772126.db2.gz KNQIJDFYBDHSOO-INIZCTEOSA-N 2 2 349.479 1.514 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C[C@H]1[NH+]1CCOCC1 ZINC000333981657 444735801 /nfs/dbraw/zinc/73/58/01/444735801.db2.gz AVFNDRUPNISEBH-ZJIFWQFVSA-N 2 2 347.463 1.641 20 0 EDADLP COCC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000338677034 444803458 /nfs/dbraw/zinc/80/34/58/444803458.db2.gz TWDCGGKGYYXFHI-MRXNPFEDSA-N 2 2 342.528 1.763 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000336855111 444804063 /nfs/dbraw/zinc/80/40/63/444804063.db2.gz GQKQGPWNRJQECU-CQSZACIVSA-N 2 2 325.478 1.499 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000336855111 444804067 /nfs/dbraw/zinc/80/40/67/444804067.db2.gz GQKQGPWNRJQECU-CQSZACIVSA-N 2 2 325.478 1.499 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000330000447 444806125 /nfs/dbraw/zinc/80/61/25/444806125.db2.gz WKUKAKFHIPXPPO-KBXCAEBGSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000330000447 444806128 /nfs/dbraw/zinc/80/61/28/444806128.db2.gz WKUKAKFHIPXPPO-KBXCAEBGSA-N 2 2 328.416 1.956 20 0 EDADLP C[NH+](C)C[C@H]1CCN(c2cc(N3CC[C@H](C[NH+](C)C)C3)[nH+]cn2)C1 ZINC000338688215 444808726 /nfs/dbraw/zinc/80/87/26/444808726.db2.gz CSNWXFJRYWMVGI-HZPDHXFCSA-N 3 2 332.496 1.252 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000342707646 444826181 /nfs/dbraw/zinc/82/61/81/444826181.db2.gz NLKCSHSFPBSCCV-ROUUACIJSA-N 2 2 331.460 1.484 20 0 EDADLP CC[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000342762784 444853986 /nfs/dbraw/zinc/85/39/86/444853986.db2.gz XXTQUYGQCJLODA-BSDSXHPESA-N 2 2 337.508 1.961 20 0 EDADLP CC[C@H](C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000342762784 444853989 /nfs/dbraw/zinc/85/39/89/444853989.db2.gz XXTQUYGQCJLODA-BSDSXHPESA-N 2 2 337.508 1.961 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000342775188 444861531 /nfs/dbraw/zinc/86/15/31/444861531.db2.gz ARDQYBCFPFMYAL-JKSUJKDBSA-N 2 2 341.496 1.103 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000344304410 444890118 /nfs/dbraw/zinc/89/01/18/444890118.db2.gz BMDJJHXLPZVZPR-UHFFFAOYSA-N 2 2 345.487 1.442 20 0 EDADLP COC(=O)[C@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H](C)O1 ZINC000338960436 444954826 /nfs/dbraw/zinc/95/48/26/444954826.db2.gz KCYBHFJYOIYXPO-BLLLJJGKSA-N 2 2 330.388 1.338 20 0 EDADLP COC(=O)[C@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H](C)O1 ZINC000338960436 444954830 /nfs/dbraw/zinc/95/48/30/444954830.db2.gz KCYBHFJYOIYXPO-BLLLJJGKSA-N 2 2 330.388 1.338 20 0 EDADLP CCc1nc(NCc2ccc(N3CC[NH+](CC)CC3)nc2)cc(C)[nH+]1 ZINC000341723060 444971635 /nfs/dbraw/zinc/97/16/35/444971635.db2.gz QFAMQIKHYFOTCN-UHFFFAOYSA-N 2 2 340.475 2.496 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337080940 444933545 /nfs/dbraw/zinc/93/35/45/444933545.db2.gz VZOULKAFRNIBHW-OALUTQOASA-N 2 2 347.503 1.840 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337080940 444933547 /nfs/dbraw/zinc/93/35/47/444933547.db2.gz VZOULKAFRNIBHW-OALUTQOASA-N 2 2 347.503 1.840 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000344453743 444984113 /nfs/dbraw/zinc/98/41/13/444984113.db2.gz YZSOCINELVEUEV-NXHRZFHOSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000344453743 444984117 /nfs/dbraw/zinc/98/41/17/444984117.db2.gz YZSOCINELVEUEV-NXHRZFHOSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000344453743 444984120 /nfs/dbraw/zinc/98/41/20/444984120.db2.gz YZSOCINELVEUEV-NXHRZFHOSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000344453743 444984121 /nfs/dbraw/zinc/98/41/21/444984121.db2.gz YZSOCINELVEUEV-NXHRZFHOSA-N 2 2 331.460 1.201 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3COC[C@H]3n3ccnn3)sc2C1 ZINC000344464139 444992487 /nfs/dbraw/zinc/99/24/87/444992487.db2.gz XGBGCZKYHSNCLA-UONOGXRCSA-N 2 2 348.476 1.231 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3COC[C@H]3n3ccnn3)sc2C1 ZINC000344464139 444992490 /nfs/dbraw/zinc/99/24/90/444992490.db2.gz XGBGCZKYHSNCLA-UONOGXRCSA-N 2 2 348.476 1.231 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000341799334 445006601 /nfs/dbraw/zinc/00/66/01/445006601.db2.gz GDESJLUIEUOIDU-UHFFFAOYSA-N 2 2 337.468 1.451 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000337283090 445015485 /nfs/dbraw/zinc/01/54/85/445015485.db2.gz KFHPDNZAQJTMOR-MRXNPFEDSA-N 2 2 332.448 1.007 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@H+](CC)C[C@H]1C)[NH+]1CCOCC1 ZINC000341819746 445016126 /nfs/dbraw/zinc/01/61/26/445016126.db2.gz HGASZRLJKCBCOS-WBVHZDCISA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCOCC1 ZINC000341819746 445016130 /nfs/dbraw/zinc/01/61/30/445016130.db2.gz HGASZRLJKCBCOS-WBVHZDCISA-N 2 2 325.497 1.676 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000337380510 445056010 /nfs/dbraw/zinc/05/60/10/445056010.db2.gz IUSHGTBZTOJSDC-SFHVURJKSA-N 2 2 339.524 1.315 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000344558488 445059169 /nfs/dbraw/zinc/05/91/69/445059169.db2.gz LAXJGNMSPSGUIU-MOPGFXCFSA-N 2 2 326.444 1.758 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000344558488 445059175 /nfs/dbraw/zinc/05/91/75/445059175.db2.gz LAXJGNMSPSGUIU-MOPGFXCFSA-N 2 2 326.444 1.758 20 0 EDADLP CN(C)C(=O)NCC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341910509 445067909 /nfs/dbraw/zinc/06/79/09/445067909.db2.gz OHDKGZFBYJSHRR-GOSISDBHSA-N 2 2 348.491 1.481 20 0 EDADLP CN(C)C(=O)NCC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341910509 445067914 /nfs/dbraw/zinc/06/79/14/445067914.db2.gz OHDKGZFBYJSHRR-GOSISDBHSA-N 2 2 348.491 1.481 20 0 EDADLP CN(C)C(=O)NCC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341910509 445067917 /nfs/dbraw/zinc/06/79/17/445067917.db2.gz OHDKGZFBYJSHRR-GOSISDBHSA-N 2 2 348.491 1.481 20 0 EDADLP CN(C)C(=O)NCC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341910509 445067923 /nfs/dbraw/zinc/06/79/23/445067923.db2.gz OHDKGZFBYJSHRR-GOSISDBHSA-N 2 2 348.491 1.481 20 0 EDADLP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000337414848 445069023 /nfs/dbraw/zinc/06/90/23/445069023.db2.gz YMBPBNBWECOGHZ-ZWKOTPCHSA-N 2 2 347.507 1.784 20 0 EDADLP CC[C@@H](CSC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341915334 445069927 /nfs/dbraw/zinc/06/99/27/445069927.db2.gz IDXWWMYZWUNHPO-GJZGRUSLSA-N 2 2 342.553 1.938 20 0 EDADLP CC[C@@H](CSC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341915334 445069932 /nfs/dbraw/zinc/06/99/32/445069932.db2.gz IDXWWMYZWUNHPO-GJZGRUSLSA-N 2 2 342.553 1.938 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(=O)OC ZINC000339433473 445138999 /nfs/dbraw/zinc/13/89/99/445138999.db2.gz RZOMCKKVGKNHBA-ZVZYQTTQSA-N 2 2 339.480 1.108 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C(=O)OC ZINC000339433473 445139000 /nfs/dbraw/zinc/13/90/00/445139000.db2.gz RZOMCKKVGKNHBA-ZVZYQTTQSA-N 2 2 339.480 1.108 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C(=O)OC ZINC000339433473 445139004 /nfs/dbraw/zinc/13/90/04/445139004.db2.gz RZOMCKKVGKNHBA-ZVZYQTTQSA-N 2 2 339.480 1.108 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C(=O)OC ZINC000339433473 445139006 /nfs/dbraw/zinc/13/90/06/445139006.db2.gz RZOMCKKVGKNHBA-ZVZYQTTQSA-N 2 2 339.480 1.108 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000337485053 445100393 /nfs/dbraw/zinc/10/03/93/445100393.db2.gz YCXCLFXLCBYGCU-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000337485053 445100397 /nfs/dbraw/zinc/10/03/97/445100397.db2.gz YCXCLFXLCBYGCU-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000343157727 445103892 /nfs/dbraw/zinc/10/38/92/445103892.db2.gz COGRTQCOVOTEAL-OAHLLOKOSA-N 2 2 344.484 1.894 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000337644740 445185040 /nfs/dbraw/zinc/18/50/40/445185040.db2.gz IJTSVVTVHYYAGV-PBHICJAKSA-N 2 2 335.423 1.267 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000345577878 445191772 /nfs/dbraw/zinc/19/17/72/445191772.db2.gz RTWGGDPKCSSPTL-QZTJIDSGSA-N 2 2 331.460 1.176 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000345577878 445191776 /nfs/dbraw/zinc/19/17/76/445191776.db2.gz RTWGGDPKCSSPTL-QZTJIDSGSA-N 2 2 331.460 1.176 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345027725 445156519 /nfs/dbraw/zinc/15/65/19/445156519.db2.gz JGSAPCNSOIWOFH-HUUCEWRRSA-N 2 2 335.452 1.281 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345027725 445156521 /nfs/dbraw/zinc/15/65/21/445156521.db2.gz JGSAPCNSOIWOFH-HUUCEWRRSA-N 2 2 335.452 1.281 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)C[C@H]1[NH+](C)C ZINC000346041670 445204705 /nfs/dbraw/zinc/20/47/05/445204705.db2.gz MNKZMDSFARXYPG-ZJIFWQFVSA-N 2 2 348.516 1.658 20 0 EDADLP CCCN1C(=O)CC[C@H](C(=O)N[C@H](C)C[NH+](C)C)[C@H]1c1c[nH+]cn1C ZINC000346187735 445207592 /nfs/dbraw/zinc/20/75/92/445207592.db2.gz FQFZHWFEAKCQKR-KEYYUXOJSA-N 2 2 349.479 1.176 20 0 EDADLP Cc1[nH]nc2ncc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3c[nH+]cn3C)cc12 ZINC000343387141 445213950 /nfs/dbraw/zinc/21/39/50/445213950.db2.gz HBVHNFNUHYETLZ-CZUORRHYSA-N 2 2 339.403 1.109 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N(C)Cc3[nH]cc[nH+]3)cc2F)CC1 ZINC000347526959 445241271 /nfs/dbraw/zinc/24/12/71/445241271.db2.gz UNNQYELCSUZSBN-UHFFFAOYSA-N 2 2 345.422 1.963 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCC[N@@H+]1C ZINC000347755720 445247205 /nfs/dbraw/zinc/24/72/05/445247205.db2.gz NKGZJJUFNULDLL-RDBSUJKOSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCC[N@H+]1C ZINC000347755720 445247207 /nfs/dbraw/zinc/24/72/07/445247207.db2.gz NKGZJJUFNULDLL-RDBSUJKOSA-N 2 2 333.436 1.062 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354463651 445248341 /nfs/dbraw/zinc/24/83/41/445248341.db2.gz NOIFVQRYCKIPNK-GDBMZVCRSA-N 2 2 346.479 1.448 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354463651 445248343 /nfs/dbraw/zinc/24/83/43/445248343.db2.gz NOIFVQRYCKIPNK-GDBMZVCRSA-N 2 2 346.479 1.448 20 0 EDADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000347994958 445260236 /nfs/dbraw/zinc/26/02/36/445260236.db2.gz GSFDQIUEUGPMQD-BHYGNILZSA-N 2 2 332.448 1.157 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000348520099 445312110 /nfs/dbraw/zinc/31/21/10/445312110.db2.gz HWKGQNOIOOWAMP-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+](C)CCC[NH+]2CCCC2)c1C ZINC000343629835 445270896 /nfs/dbraw/zinc/27/08/96/445270896.db2.gz YUGICEPJMWMMFX-UHFFFAOYSA-N 2 2 336.480 1.981 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)c1C ZINC000343629835 445270900 /nfs/dbraw/zinc/27/09/00/445270900.db2.gz YUGICEPJMWMMFX-UHFFFAOYSA-N 2 2 336.480 1.981 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000351710848 445286308 /nfs/dbraw/zinc/28/63/08/445286308.db2.gz VCDAMSYGVBNHME-SQWLQELKSA-N 2 2 336.436 1.080 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000351710848 445286311 /nfs/dbraw/zinc/28/63/11/445286311.db2.gz VCDAMSYGVBNHME-SQWLQELKSA-N 2 2 336.436 1.080 20 0 EDADLP CN(C)C(=O)NCC[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351733333 445297914 /nfs/dbraw/zinc/29/79/14/445297914.db2.gz AKWMRQIEYNLHOL-UHFFFAOYSA-N 2 2 347.507 1.402 20 0 EDADLP CN(C)C(=O)NCC[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351733333 445297917 /nfs/dbraw/zinc/29/79/17/445297917.db2.gz AKWMRQIEYNLHOL-UHFFFAOYSA-N 2 2 347.507 1.402 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2nccn2C)cc[nH+]1 ZINC000348166872 445299427 /nfs/dbraw/zinc/29/94/27/445299427.db2.gz GKKFQAVLTFNJEI-KGLIPLIRSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)Cc2nccn2C)cc[nH+]1 ZINC000348166872 445299430 /nfs/dbraw/zinc/29/94/30/445299430.db2.gz GKKFQAVLTFNJEI-KGLIPLIRSA-N 2 2 347.442 1.325 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC000351740755 445302702 /nfs/dbraw/zinc/30/27/02/445302702.db2.gz BYMWTGDMZTZTHT-RTBURBONSA-N 2 2 343.471 1.440 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC000351740755 445302703 /nfs/dbraw/zinc/30/27/03/445302703.db2.gz BYMWTGDMZTZTHT-RTBURBONSA-N 2 2 343.471 1.440 20 0 EDADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000348279596 445337302 /nfs/dbraw/zinc/33/73/02/445337302.db2.gz QQUKKWQYYARLMF-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864519 445347330 /nfs/dbraw/zinc/34/73/30/445347330.db2.gz YKJKFVQWEYWLNH-DOTOQJQBSA-N 3 2 346.475 1.126 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864519 445347331 /nfs/dbraw/zinc/34/73/31/445347331.db2.gz YKJKFVQWEYWLNH-DOTOQJQBSA-N 2 2 346.475 1.126 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864519 445347333 /nfs/dbraw/zinc/34/73/33/445347333.db2.gz YKJKFVQWEYWLNH-DOTOQJQBSA-N 2 2 346.475 1.126 20 0 EDADLP CC[N@H+](CCC1CC[NH+](Cc2nc(N)nc(N)n2)CC1)CC1CC1 ZINC000357082901 445416295 /nfs/dbraw/zinc/41/62/95/445416295.db2.gz KCVCPDGUKRYGOP-UHFFFAOYSA-N 2 2 333.484 1.031 20 0 EDADLP CC[N@@H+](CCC1CC[NH+](Cc2nc(N)nc(N)n2)CC1)CC1CC1 ZINC000357082901 445416300 /nfs/dbraw/zinc/41/63/00/445416300.db2.gz KCVCPDGUKRYGOP-UHFFFAOYSA-N 2 2 333.484 1.031 20 0 EDADLP COCCO[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000362510104 445417690 /nfs/dbraw/zinc/41/76/90/445417690.db2.gz KEBOHKKPUMBPOH-OALUTQOASA-N 2 2 349.475 1.456 20 0 EDADLP Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](CCOCC[NH3+])CC2)c(C)c1 ZINC000357093615 445424733 /nfs/dbraw/zinc/42/47/33/445424733.db2.gz WXIPNPWRUOSKRX-KRWDZBQOSA-N 2 2 349.475 1.190 20 0 EDADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354853091 445426545 /nfs/dbraw/zinc/42/65/45/445426545.db2.gz KMFADCKSTJLKCI-PMPSAXMXSA-N 2 2 326.460 1.983 20 0 EDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351951549 445395240 /nfs/dbraw/zinc/39/52/40/445395240.db2.gz LJPHTALHMUQKSV-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351951549 445395243 /nfs/dbraw/zinc/39/52/43/445395243.db2.gz LJPHTALHMUQKSV-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357108759 445433131 /nfs/dbraw/zinc/43/31/31/445433131.db2.gz VCQAGOSAWQRZSZ-GJZGRUSLSA-N 2 2 335.423 1.204 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357108759 445433136 /nfs/dbraw/zinc/43/31/36/445433136.db2.gz VCQAGOSAWQRZSZ-GJZGRUSLSA-N 2 2 335.423 1.204 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C[C@H]21 ZINC000348902933 445435371 /nfs/dbraw/zinc/43/53/71/445435371.db2.gz VTVZMGDEWRRMOK-BFYDXBDKSA-N 2 2 348.447 1.141 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C[C@H]21 ZINC000348902933 445435376 /nfs/dbraw/zinc/43/53/76/445435376.db2.gz VTVZMGDEWRRMOK-BFYDXBDKSA-N 2 2 348.447 1.141 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000357121258 445439075 /nfs/dbraw/zinc/43/90/75/445439075.db2.gz MOHUHOMHOJKZDE-QGZVFWFLSA-N 2 2 325.497 1.822 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000357121258 445439078 /nfs/dbraw/zinc/43/90/78/445439078.db2.gz MOHUHOMHOJKZDE-QGZVFWFLSA-N 2 2 325.497 1.822 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348928011 445443949 /nfs/dbraw/zinc/44/39/49/445443949.db2.gz OKPAUOSTKLALFD-JKSUJKDBSA-N 2 2 338.883 1.305 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348928011 445443952 /nfs/dbraw/zinc/44/39/52/445443952.db2.gz OKPAUOSTKLALFD-JKSUJKDBSA-N 2 2 338.883 1.305 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000348995550 445469511 /nfs/dbraw/zinc/46/95/11/445469511.db2.gz VNRIVCKXAMJVPU-GOSISDBHSA-N 2 2 333.476 1.388 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000348995550 445469517 /nfs/dbraw/zinc/46/95/17/445469517.db2.gz VNRIVCKXAMJVPU-GOSISDBHSA-N 2 2 333.476 1.388 20 0 EDADLP CC[NH+]1CCN(CC(=O)NCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000359967595 445508244 /nfs/dbraw/zinc/50/82/44/445508244.db2.gz JCYFELSEQOXYNG-UHFFFAOYSA-N 2 2 343.475 1.489 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362710838 445512929 /nfs/dbraw/zinc/51/29/29/445512929.db2.gz LTNZNMIIMQRRAU-JKSUJKDBSA-N 2 2 349.479 1.592 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362710838 445512933 /nfs/dbraw/zinc/51/29/33/445512933.db2.gz LTNZNMIIMQRRAU-JKSUJKDBSA-N 2 2 349.479 1.592 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362743391 445528127 /nfs/dbraw/zinc/52/81/27/445528127.db2.gz XYRGRPJTDJJYDD-DOTOQJQBSA-N 2 2 331.460 1.537 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362743391 445528130 /nfs/dbraw/zinc/52/81/30/445528130.db2.gz XYRGRPJTDJJYDD-DOTOQJQBSA-N 2 2 331.460 1.537 20 0 EDADLP C[C@@H](C[NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000357226311 445492226 /nfs/dbraw/zinc/49/22/26/445492226.db2.gz OSORHGKEKNTSFY-ZDUSSCGKSA-N 2 2 326.404 1.856 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCc3nnnn3CC3CC3)c12 ZINC000349083790 445499350 /nfs/dbraw/zinc/49/93/50/445499350.db2.gz OLTUUJXDSGIWHJ-UHFFFAOYSA-N 2 2 348.374 1.219 20 0 EDADLP C[NH2+][C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cnn(C)c1 ZINC000357245099 445503886 /nfs/dbraw/zinc/50/38/86/445503886.db2.gz UHEDCQFPOAUDCI-CZUORRHYSA-N 2 2 344.463 1.306 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357388379 445556291 /nfs/dbraw/zinc/55/62/91/445556291.db2.gz ITPOEBQYCDOXAU-NCOADZHNSA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357388379 445556293 /nfs/dbraw/zinc/55/62/93/445556293.db2.gz ITPOEBQYCDOXAU-NCOADZHNSA-N 2 2 325.497 1.673 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362824761 445567012 /nfs/dbraw/zinc/56/70/12/445567012.db2.gz BUYHIPZZTABCLI-KRWDZBQOSA-N 2 2 344.459 1.138 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362824761 445567016 /nfs/dbraw/zinc/56/70/16/445567016.db2.gz BUYHIPZZTABCLI-KRWDZBQOSA-N 2 2 344.459 1.138 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000362825213 445567257 /nfs/dbraw/zinc/56/72/57/445567257.db2.gz FTKPMMDOUMGJGL-LJQANCHMSA-N 2 2 345.487 1.532 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000362825213 445567260 /nfs/dbraw/zinc/56/72/60/445567260.db2.gz FTKPMMDOUMGJGL-LJQANCHMSA-N 2 2 345.487 1.532 20 0 EDADLP CC[NH+]1CCN(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000360176673 445613228 /nfs/dbraw/zinc/61/32/28/445613228.db2.gz WZRPCYLHVXUXAT-KRWDZBQOSA-N 2 2 348.491 1.560 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000349616296 445623074 /nfs/dbraw/zinc/62/30/74/445623074.db2.gz MWYIGBPFRGYSCS-OAHLLOKOSA-N 2 2 334.464 1.268 20 0 EDADLP CCn1nc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000349628727 445627288 /nfs/dbraw/zinc/62/72/88/445627288.db2.gz HINRLWWWNRWIAP-OAHLLOKOSA-N 2 2 343.475 1.733 20 0 EDADLP CCn1nc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000349628727 445627293 /nfs/dbraw/zinc/62/72/93/445627293.db2.gz HINRLWWWNRWIAP-OAHLLOKOSA-N 2 2 343.475 1.733 20 0 EDADLP CCn1nc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000349628726 445627535 /nfs/dbraw/zinc/62/75/35/445627535.db2.gz HINRLWWWNRWIAP-HNNXBMFYSA-N 2 2 343.475 1.733 20 0 EDADLP CCn1nc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000349628726 445627538 /nfs/dbraw/zinc/62/75/38/445627538.db2.gz HINRLWWWNRWIAP-HNNXBMFYSA-N 2 2 343.475 1.733 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)NCCCNc2cccc[nH+]2)CCSC1 ZINC000360259562 445662568 /nfs/dbraw/zinc/66/25/68/445662568.db2.gz XJDZUMCDSBFMRQ-MRXNPFEDSA-N 2 2 337.493 1.620 20 0 EDADLP COc1ccsc1[C@@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000349811527 445686174 /nfs/dbraw/zinc/68/61/74/445686174.db2.gz HKHHQUGENXRLMH-OAHLLOKOSA-N 2 2 341.521 1.797 20 0 EDADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC000356271699 445711127 /nfs/dbraw/zinc/71/11/27/445711127.db2.gz UTWGDUIEGWCTFN-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCC1 ZINC000356271699 445711128 /nfs/dbraw/zinc/71/11/28/445711128.db2.gz UTWGDUIEGWCTFN-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccccc3F)C2)CC1 ZINC000363338967 445771314 /nfs/dbraw/zinc/77/13/14/445771314.db2.gz OQVJZUHUOFXOEN-CQSZACIVSA-N 2 2 335.423 1.489 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccccc3F)C2)CC1 ZINC000363338967 445771319 /nfs/dbraw/zinc/77/13/19/445771319.db2.gz OQVJZUHUOFXOEN-CQSZACIVSA-N 2 2 335.423 1.489 20 0 EDADLP CCN1CCN(C(=O)NCC[N@H+](CC)C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000353824459 445772044 /nfs/dbraw/zinc/77/20/44/445772044.db2.gz BVDXRUNGFKAHOJ-OAHLLOKOSA-N 2 2 336.484 1.528 20 0 EDADLP CCN1CCN(C(=O)NCC[N@@H+](CC)C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000353824459 445772047 /nfs/dbraw/zinc/77/20/47/445772047.db2.gz BVDXRUNGFKAHOJ-OAHLLOKOSA-N 2 2 336.484 1.528 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353714087 445721262 /nfs/dbraw/zinc/72/12/62/445721262.db2.gz UHGHPFYBNJRLTG-OAHLLOKOSA-N 3 2 342.553 1.133 20 0 EDADLP C[C@H](CNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)[N@H+](C)C1CC1 ZINC000363240303 445736260 /nfs/dbraw/zinc/73/62/60/445736260.db2.gz LJWQZZFQXVYGOV-OAHLLOKOSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@H](CNC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)[N@@H+](C)C1CC1 ZINC000363240303 445736262 /nfs/dbraw/zinc/73/62/62/445736262.db2.gz LJWQZZFQXVYGOV-OAHLLOKOSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@H](CNC(=O)N1CCC[N@H+](Cc2nccn2C)CC1)[NH+](C)C1CC1 ZINC000363240303 445736265 /nfs/dbraw/zinc/73/62/65/445736265.db2.gz LJWQZZFQXVYGOV-OAHLLOKOSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2nccn2C)CC1)[NH+](C)C1CC1 ZINC000363240303 445736268 /nfs/dbraw/zinc/73/62/68/445736268.db2.gz LJWQZZFQXVYGOV-OAHLLOKOSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@H](CNC(=O)N1CCC[NH+](Cc2nccn2C)CC1)[N@H+](C)C1CC1 ZINC000363240303 445736271 /nfs/dbraw/zinc/73/62/71/445736271.db2.gz LJWQZZFQXVYGOV-OAHLLOKOSA-N 2 2 348.495 1.120 20 0 EDADLP C[C@H](CNC(=O)N1CCC[NH+](Cc2nccn2C)CC1)[N@@H+](C)C1CC1 ZINC000363240303 445736273 /nfs/dbraw/zinc/73/62/73/445736273.db2.gz LJWQZZFQXVYGOV-OAHLLOKOSA-N 2 2 348.495 1.120 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000350089029 445766150 /nfs/dbraw/zinc/76/61/50/445766150.db2.gz OXHBUJPVIOSQNY-UHFFFAOYSA-N 2 2 335.452 1.083 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)[C@@H]1C ZINC000353940509 445819274 /nfs/dbraw/zinc/81/92/74/445819274.db2.gz BUAVJBUFUQROAN-TWMKSMIVSA-N 2 2 326.481 1.911 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@@H]1C ZINC000353940509 445819277 /nfs/dbraw/zinc/81/92/77/445819277.db2.gz BUAVJBUFUQROAN-TWMKSMIVSA-N 2 2 326.481 1.911 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363418860 445796617 /nfs/dbraw/zinc/79/66/17/445796617.db2.gz RMBXOZIZKUHTGP-KURKYZTESA-N 2 2 336.524 1.488 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363418860 445796620 /nfs/dbraw/zinc/79/66/20/445796620.db2.gz RMBXOZIZKUHTGP-KURKYZTESA-N 2 2 336.524 1.488 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361520016 445800789 /nfs/dbraw/zinc/80/07/89/445800789.db2.gz RDQWHQWAYOOGDO-LSDHHAIUSA-N 2 2 334.464 1.906 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000361599970 445841481 /nfs/dbraw/zinc/84/14/81/445841481.db2.gz SUQYOOHMMSJPIQ-UHFFFAOYSA-N 2 2 327.432 1.492 20 0 EDADLP CC[C@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)CC[N@H+]1C[C@H](C)O ZINC000354075378 445887960 /nfs/dbraw/zinc/88/79/60/445887960.db2.gz KRRYDPRSRKIGSP-HOTGVXAUSA-N 2 2 333.480 1.748 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000354080450 445891242 /nfs/dbraw/zinc/89/12/42/445891242.db2.gz UUASRLFRMOIGAO-MRXNPFEDSA-N 2 2 332.496 1.905 20 0 EDADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)[C@H](C[NH3+])C1 ZINC000359038008 445901725 /nfs/dbraw/zinc/90/17/25/445901725.db2.gz FFLXYMNJFNUURC-IRXDYDNUSA-N 2 2 333.432 1.656 20 0 EDADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)[C@H](C[NH3+])C1 ZINC000359038008 445901731 /nfs/dbraw/zinc/90/17/31/445901731.db2.gz FFLXYMNJFNUURC-IRXDYDNUSA-N 2 2 333.432 1.656 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000373004248 445969604 /nfs/dbraw/zinc/96/96/04/445969604.db2.gz BIIMRUARHSNHSA-ROUUACIJSA-N 2 2 337.508 1.722 20 0 EDADLP c1cn2c([nH+]1)CC[C@@H](c1nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)C2 ZINC000351026084 445973505 /nfs/dbraw/zinc/97/35/05/445973505.db2.gz OUBJYSHKEMNJDV-MGPQQGTHSA-N 2 2 329.404 1.922 20 0 EDADLP c1cn2c([nH+]1)CC[C@@H](c1nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no1)C2 ZINC000351026084 445973507 /nfs/dbraw/zinc/97/35/07/445973507.db2.gz OUBJYSHKEMNJDV-MGPQQGTHSA-N 2 2 329.404 1.922 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2c(c1)CCO2 ZINC000369188540 445977838 /nfs/dbraw/zinc/97/78/38/445977838.db2.gz PTAPWYVXFRLFGU-QFBILLFUSA-N 2 2 345.487 1.458 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2c(c1)CCO2 ZINC000369188540 445977843 /nfs/dbraw/zinc/97/78/43/445977843.db2.gz PTAPWYVXFRLFGU-QFBILLFUSA-N 2 2 345.487 1.458 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000369188540 445977848 /nfs/dbraw/zinc/97/78/48/445977848.db2.gz PTAPWYVXFRLFGU-QFBILLFUSA-N 2 2 345.487 1.458 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000369188540 445977854 /nfs/dbraw/zinc/97/78/54/445977854.db2.gz PTAPWYVXFRLFGU-QFBILLFUSA-N 2 2 345.487 1.458 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000354198837 445991772 /nfs/dbraw/zinc/99/17/72/445991772.db2.gz MEWXQRVWKFHCLJ-KRWDZBQOSA-N 3 2 332.492 1.998 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000354147090 445945893 /nfs/dbraw/zinc/94/58/93/445945893.db2.gz REAUBULRNIXWDH-MAUKXSAKSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000354147090 445945899 /nfs/dbraw/zinc/94/58/99/445945899.db2.gz REAUBULRNIXWDH-MAUKXSAKSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354147090 445945902 /nfs/dbraw/zinc/94/59/02/445945902.db2.gz REAUBULRNIXWDH-MAUKXSAKSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000354147090 445945908 /nfs/dbraw/zinc/94/59/08/445945908.db2.gz REAUBULRNIXWDH-MAUKXSAKSA-N 2 2 349.450 1.627 20 0 EDADLP CC1CCN(C(=O)C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000369138844 445948530 /nfs/dbraw/zinc/94/85/30/445948530.db2.gz XABFTBIVPDASFF-SFHVURJKSA-N 2 2 336.524 1.347 20 0 EDADLP CC1CCN(C(=O)C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000369138844 445948535 /nfs/dbraw/zinc/94/85/35/445948535.db2.gz XABFTBIVPDASFF-SFHVURJKSA-N 2 2 336.524 1.347 20 0 EDADLP c1nc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc(N2CCSCC2)[nH+]1 ZINC000372970372 445950704 /nfs/dbraw/zinc/95/07/04/445950704.db2.gz SXIIOHUWNBDSBW-LSDHHAIUSA-N 2 2 349.504 1.695 20 0 EDADLP c1nc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc(N2CCSCC2)[nH+]1 ZINC000372970372 445950705 /nfs/dbraw/zinc/95/07/05/445950705.db2.gz SXIIOHUWNBDSBW-LSDHHAIUSA-N 2 2 349.504 1.695 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000366116854 446024579 /nfs/dbraw/zinc/02/45/79/446024579.db2.gz HUPPSZGOKUQCQJ-JKSUJKDBSA-N 2 2 329.510 1.361 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000366116854 446024583 /nfs/dbraw/zinc/02/45/83/446024583.db2.gz HUPPSZGOKUQCQJ-JKSUJKDBSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000366116854 446024586 /nfs/dbraw/zinc/02/45/86/446024586.db2.gz HUPPSZGOKUQCQJ-JKSUJKDBSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000366116854 446024589 /nfs/dbraw/zinc/02/45/89/446024589.db2.gz HUPPSZGOKUQCQJ-JKSUJKDBSA-N 2 2 329.510 1.361 20 0 EDADLP CC(C)CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274005 446038071 /nfs/dbraw/zinc/03/80/71/446038071.db2.gz LQHZCNXDZFWIDE-HOTGVXAUSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274005 446038076 /nfs/dbraw/zinc/03/80/76/446038076.db2.gz LQHZCNXDZFWIDE-HOTGVXAUSA-N 2 2 325.497 1.722 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000583151299 326014582 /nfs/dbraw/zinc/01/45/82/326014582.db2.gz AADSWUNETWLYMJ-DLBZAZTESA-N 2 2 326.481 1.207 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000583151299 326014584 /nfs/dbraw/zinc/01/45/84/326014584.db2.gz AADSWUNETWLYMJ-DLBZAZTESA-N 2 2 326.481 1.207 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000583151299 326014585 /nfs/dbraw/zinc/01/45/85/326014585.db2.gz AADSWUNETWLYMJ-DLBZAZTESA-N 2 2 326.481 1.207 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000583151299 326014587 /nfs/dbraw/zinc/01/45/87/326014587.db2.gz AADSWUNETWLYMJ-DLBZAZTESA-N 2 2 326.481 1.207 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c[nH+]1 ZINC000359220733 446050846 /nfs/dbraw/zinc/05/08/46/446050846.db2.gz GBHKTGPEAYAPSH-HNNXBMFYSA-N 2 2 331.464 1.964 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c[nH+]1 ZINC000359220733 446050853 /nfs/dbraw/zinc/05/08/53/446050853.db2.gz GBHKTGPEAYAPSH-HNNXBMFYSA-N 2 2 331.464 1.964 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000583489079 326081826 /nfs/dbraw/zinc/08/18/26/326081826.db2.gz NWZKMEWWYYRLJS-GJZGRUSLSA-N 2 2 331.395 1.700 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(c2cccc(OC)c2)CC1 ZINC000583572633 326098268 /nfs/dbraw/zinc/09/82/68/326098268.db2.gz SAXRDHYAYVSJRP-GOSISDBHSA-N 2 2 334.460 1.723 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000583572633 326098270 /nfs/dbraw/zinc/09/82/70/326098270.db2.gz SAXRDHYAYVSJRP-GOSISDBHSA-N 2 2 334.460 1.723 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000583572633 326098273 /nfs/dbraw/zinc/09/82/73/326098273.db2.gz SAXRDHYAYVSJRP-GOSISDBHSA-N 2 2 334.460 1.723 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000583625138 326105780 /nfs/dbraw/zinc/10/57/80/326105780.db2.gz KCYZGNFJDYMGBL-VHSXEESVSA-N 2 2 331.338 1.399 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000583625139 326105854 /nfs/dbraw/zinc/10/58/54/326105854.db2.gz KCYZGNFJDYMGBL-ZJUUUORDSA-N 2 2 331.338 1.399 20 0 EDADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000583630097 326107558 /nfs/dbraw/zinc/10/75/58/326107558.db2.gz HMDHYHJCQQTABE-GJZGRUSLSA-N 2 2 341.377 1.904 20 0 EDADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000583630097 326107559 /nfs/dbraw/zinc/10/75/59/326107559.db2.gz HMDHYHJCQQTABE-GJZGRUSLSA-N 2 2 341.377 1.904 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2Cc3ccccc3[C@@H](n3cccn3)C2)CC1 ZINC000373153518 446061412 /nfs/dbraw/zinc/06/14/12/446061412.db2.gz QGOCGNPKCNORRD-SFHVURJKSA-N 2 2 339.443 1.062 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2Cc3ccccc3[C@@H](n3cccn3)C2)CC1 ZINC000373153518 446061416 /nfs/dbraw/zinc/06/14/16/446061416.db2.gz QGOCGNPKCNORRD-SFHVURJKSA-N 2 2 339.443 1.062 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369317797 446068962 /nfs/dbraw/zinc/06/89/62/446068962.db2.gz ZOQFWKYHJAOJJN-ZBFHGGJFSA-N 2 2 340.431 1.645 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369317797 446068966 /nfs/dbraw/zinc/06/89/66/446068966.db2.gz ZOQFWKYHJAOJJN-ZBFHGGJFSA-N 2 2 340.431 1.645 20 0 EDADLP CC[NH+](CC)CCCN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000365190060 446071705 /nfs/dbraw/zinc/07/17/05/446071705.db2.gz NDVUIPUZHVEXGB-SFHVURJKSA-N 2 2 343.475 1.848 20 0 EDADLP CC(C)C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000365208518 446080134 /nfs/dbraw/zinc/08/01/34/446080134.db2.gz ZNEKXFPVMVSKRV-OAHLLOKOSA-N 2 2 333.480 1.079 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)NCc1ccco1 ZINC000356867630 446082928 /nfs/dbraw/zinc/08/29/28/446082928.db2.gz MRZICVRACIJHQY-UHFFFAOYSA-N 2 2 333.354 1.902 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351488887 446090452 /nfs/dbraw/zinc/09/04/52/446090452.db2.gz GMUQHQKMWLRZNG-ZOBORPQBSA-N 2 2 328.416 1.029 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351488887 446090457 /nfs/dbraw/zinc/09/04/57/446090457.db2.gz GMUQHQKMWLRZNG-ZOBORPQBSA-N 2 2 328.416 1.029 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365248001 446100029 /nfs/dbraw/zinc/10/00/29/446100029.db2.gz UHRYLSCQTMGQQC-CZUORRHYSA-N 2 2 331.464 1.844 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365248001 446100034 /nfs/dbraw/zinc/10/00/34/446100034.db2.gz UHRYLSCQTMGQQC-CZUORRHYSA-N 2 2 331.464 1.844 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc(COc4ccc(F)cc4)no3)C[C@@H]12 ZINC000351502262 446107186 /nfs/dbraw/zinc/10/71/86/446107186.db2.gz ZKQXONRCPFZPGF-NILFDRSVSA-N 2 2 332.379 1.957 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc(COc4ccc(F)cc4)no3)C[C@@H]12 ZINC000351502262 446107192 /nfs/dbraw/zinc/10/71/92/446107192.db2.gz ZKQXONRCPFZPGF-NILFDRSVSA-N 2 2 332.379 1.957 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nn1 ZINC000365262817 446110605 /nfs/dbraw/zinc/11/06/05/446110605.db2.gz SVEKTTXZPURCJT-UHFFFAOYSA-N 2 2 335.496 1.967 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359291307 446126115 /nfs/dbraw/zinc/12/61/15/446126115.db2.gz SUWNUGUGOKUFTH-RWMBFGLXSA-N 2 2 339.842 1.977 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359291307 446126122 /nfs/dbraw/zinc/12/61/22/446126122.db2.gz SUWNUGUGOKUFTH-RWMBFGLXSA-N 2 2 339.842 1.977 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000354387299 446168405 /nfs/dbraw/zinc/16/84/05/446168405.db2.gz GUNFRCFOBJZYTM-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000354387299 446168408 /nfs/dbraw/zinc/16/84/08/446168408.db2.gz GUNFRCFOBJZYTM-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000362083113 446200841 /nfs/dbraw/zinc/20/08/41/446200841.db2.gz GOZLHNYWXZGOOQ-CZUORRHYSA-N 2 2 338.448 1.407 20 0 EDADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000362083113 446200844 /nfs/dbraw/zinc/20/08/44/446200844.db2.gz GOZLHNYWXZGOOQ-CZUORRHYSA-N 2 2 338.448 1.407 20 0 EDADLP O=C1CC[C@@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)[C@H](C2CC2)N1 ZINC000370264738 446202372 /nfs/dbraw/zinc/20/23/72/446202372.db2.gz CSMWZHBHGGCFPF-ZBFHGGJFSA-N 2 2 349.398 1.680 20 0 EDADLP CC1CCN(C(=O)C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000370264938 446202654 /nfs/dbraw/zinc/20/26/54/446202654.db2.gz DRDPVNWDSOVQCH-SFHVURJKSA-N 2 2 336.524 1.345 20 0 EDADLP CC1CCN(C(=O)C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000370264938 446202659 /nfs/dbraw/zinc/20/26/59/446202659.db2.gz DRDPVNWDSOVQCH-SFHVURJKSA-N 2 2 336.524 1.345 20 0 EDADLP CC1CCN(C(=O)CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000370264938 446202665 /nfs/dbraw/zinc/20/26/65/446202665.db2.gz DRDPVNWDSOVQCH-SFHVURJKSA-N 2 2 336.524 1.345 20 0 EDADLP CC1CCN(C(=O)CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000370264938 446202671 /nfs/dbraw/zinc/20/26/71/446202671.db2.gz DRDPVNWDSOVQCH-SFHVURJKSA-N 2 2 336.524 1.345 20 0 EDADLP O=C(C[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1)N1CCCC1 ZINC000362100822 446212874 /nfs/dbraw/zinc/21/28/74/446212874.db2.gz ZTVYTCQSYLPOIQ-UHFFFAOYSA-N 2 2 327.432 1.484 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC1CCOCC1 ZINC000370307148 446224456 /nfs/dbraw/zinc/22/44/56/446224456.db2.gz YVBPWPSTSHWOHP-HNNXBMFYSA-N 2 2 346.475 1.694 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC1CCOCC1 ZINC000370307148 446224459 /nfs/dbraw/zinc/22/44/59/446224459.db2.gz YVBPWPSTSHWOHP-HNNXBMFYSA-N 2 2 346.475 1.694 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NC1CCOCC1 ZINC000370307149 446224530 /nfs/dbraw/zinc/22/45/30/446224530.db2.gz YVBPWPSTSHWOHP-OAHLLOKOSA-N 2 2 346.475 1.694 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NC1CCOCC1 ZINC000370307149 446224535 /nfs/dbraw/zinc/22/45/35/446224535.db2.gz YVBPWPSTSHWOHP-OAHLLOKOSA-N 2 2 346.475 1.694 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000365476346 446224992 /nfs/dbraw/zinc/22/49/92/446224992.db2.gz SSVNEDYDLRXMFU-MRXNPFEDSA-N 2 2 349.479 1.862 20 0 EDADLP Cc1ccc(N2CCC[C@@H](C(=O)NC[C@@H](C)[NH+]3CCOCC3)C2)[nH+]c1 ZINC000365526202 446241867 /nfs/dbraw/zinc/24/18/67/446241867.db2.gz FEGYZNGUYIHAOI-IAGOWNOFSA-N 2 2 346.475 1.443 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)NCc1ccccc1F ZINC000365552880 446251902 /nfs/dbraw/zinc/25/19/02/446251902.db2.gz OTBZMMNSCCRBQP-NUJGCVRESA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)NCc1ccccc1F ZINC000365552880 446251907 /nfs/dbraw/zinc/25/19/07/446251907.db2.gz OTBZMMNSCCRBQP-NUJGCVRESA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)NCc1ccccc1F ZINC000365552880 446251912 /nfs/dbraw/zinc/25/19/12/446251912.db2.gz OTBZMMNSCCRBQP-NUJGCVRESA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)NCc1ccccc1F ZINC000365552880 446251915 /nfs/dbraw/zinc/25/19/15/446251915.db2.gz OTBZMMNSCCRBQP-NUJGCVRESA-N 2 2 331.435 1.858 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(CC)CC(=O)NC(C)C)CC1 ZINC000362189424 446252536 /nfs/dbraw/zinc/25/25/36/446252536.db2.gz XARUTZXICSHDSH-UHFFFAOYSA-N 2 2 340.512 1.166 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(CC)CC(=O)NC(C)C)CC1 ZINC000362189424 446252540 /nfs/dbraw/zinc/25/25/40/446252540.db2.gz XARUTZXICSHDSH-UHFFFAOYSA-N 2 2 340.512 1.166 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000373545856 446256241 /nfs/dbraw/zinc/25/62/41/446256241.db2.gz GOSWPUNKNOKLHR-GOEBONIOSA-N 2 2 325.416 1.872 20 0 EDADLP CCCOC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000365567570 446257121 /nfs/dbraw/zinc/25/71/21/446257121.db2.gz AQSJIVHPYUWBIT-INIZCTEOSA-N 2 2 325.497 1.820 20 0 EDADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000373550839 446257635 /nfs/dbraw/zinc/25/76/35/446257635.db2.gz IFHFOJXQHUDBNK-QGZVFWFLSA-N 2 2 340.475 1.734 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000362222543 446271168 /nfs/dbraw/zinc/27/11/68/446271168.db2.gz SFXWYTIUKVODDD-UHFFFAOYSA-N 2 2 344.463 1.979 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nc[nH+]2)C1 ZINC000373672704 446297085 /nfs/dbraw/zinc/29/70/85/446297085.db2.gz JEBJDLGDJMVVKC-OWCLPIDISA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)nc[nH+]2)C1 ZINC000373672704 446297089 /nfs/dbraw/zinc/29/70/89/446297089.db2.gz JEBJDLGDJMVVKC-OWCLPIDISA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)[nH+]cn2)C1 ZINC000373672704 446297092 /nfs/dbraw/zinc/29/70/92/446297092.db2.gz JEBJDLGDJMVVKC-OWCLPIDISA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]cn2)C1 ZINC000373672704 446297094 /nfs/dbraw/zinc/29/70/94/446297094.db2.gz JEBJDLGDJMVVKC-OWCLPIDISA-N 2 2 331.464 1.988 20 0 EDADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000373688466 446304013 /nfs/dbraw/zinc/30/40/13/446304013.db2.gz QUQGWUYGSNNDFG-SJLPKXTDSA-N 2 2 335.467 1.753 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)C2(N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000365719772 446313886 /nfs/dbraw/zinc/31/38/86/446313886.db2.gz DDXNTANWCFBOPI-UHFFFAOYSA-N 2 2 336.524 1.347 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000373732333 446317157 /nfs/dbraw/zinc/31/71/57/446317157.db2.gz DOBBPZPULJJRQF-JKSUJKDBSA-N 2 2 334.464 1.405 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000370601551 446351853 /nfs/dbraw/zinc/35/18/53/446351853.db2.gz ACMVHRBJYMNVNN-DLBZAZTESA-N 2 2 338.496 1.365 20 0 EDADLP O[C@@H](CNc1cccc(-n2cc[nH+]c2)n1)C[N@@H+]1CCc2ccccc2C1 ZINC000370608331 446356239 /nfs/dbraw/zinc/35/62/39/446356239.db2.gz KDXQHSJWWQSBQA-SFHVURJKSA-N 2 2 349.438 2.098 20 0 EDADLP O[C@@H](CNc1cccc(-n2cc[nH+]c2)n1)C[N@H+]1CCc2ccccc2C1 ZINC000370608331 446356245 /nfs/dbraw/zinc/35/62/45/446356245.db2.gz KDXQHSJWWQSBQA-SFHVURJKSA-N 2 2 349.438 2.098 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@H]1C[NH2+]CCN1C ZINC000420272712 446443100 /nfs/dbraw/zinc/44/31/00/446443100.db2.gz LMFKIQZMNRTZGM-CQSZACIVSA-N 2 2 342.443 1.457 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@@H]2CC[NH2+]CC2(F)F)[nH+]cn1 ZINC000420276537 446446302 /nfs/dbraw/zinc/44/63/02/446446302.db2.gz HPYPRKXMHHRZDQ-RYUDHWBXSA-N 2 2 327.379 1.094 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@@H]2CC[NH2+]CC2(F)F)nc[nH+]1 ZINC000420276537 446446309 /nfs/dbraw/zinc/44/63/09/446446309.db2.gz HPYPRKXMHHRZDQ-RYUDHWBXSA-N 2 2 327.379 1.094 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000420282676 446449558 /nfs/dbraw/zinc/44/95/58/446449558.db2.gz AZZSHUXDLSGVRT-DVOMOZLQSA-N 2 2 333.432 1.147 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000420282676 446449563 /nfs/dbraw/zinc/44/95/63/446449563.db2.gz AZZSHUXDLSGVRT-DVOMOZLQSA-N 2 2 333.432 1.147 20 0 EDADLP [NH3+]C[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000418047475 446424268 /nfs/dbraw/zinc/42/42/68/446424268.db2.gz JEJFFBAHKALWNR-CYBMUJFWSA-N 2 2 336.867 1.688 20 0 EDADLP [NH3+]C[C@H]1CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000418047475 446424273 /nfs/dbraw/zinc/42/42/73/446424273.db2.gz JEJFFBAHKALWNR-CYBMUJFWSA-N 2 2 336.867 1.688 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000418048391 446424341 /nfs/dbraw/zinc/42/43/41/446424341.db2.gz LAVUVZWTUDIJMZ-AWEZNQCLSA-N 2 2 336.867 1.701 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000418048391 446424344 /nfs/dbraw/zinc/42/43/44/446424344.db2.gz LAVUVZWTUDIJMZ-AWEZNQCLSA-N 2 2 336.867 1.701 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420296574 446458513 /nfs/dbraw/zinc/45/85/13/446458513.db2.gz XDTKJRBCADJKQZ-OAHLLOKOSA-N 2 2 335.448 1.741 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420296574 446458518 /nfs/dbraw/zinc/45/85/18/446458518.db2.gz XDTKJRBCADJKQZ-OAHLLOKOSA-N 2 2 335.448 1.741 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000420301082 446464496 /nfs/dbraw/zinc/46/44/96/446464496.db2.gz DPFWTACILKCLGN-ARFHVFGLSA-N 2 2 345.443 1.779 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000420301082 446464498 /nfs/dbraw/zinc/46/44/98/446464498.db2.gz DPFWTACILKCLGN-ARFHVFGLSA-N 2 2 345.443 1.779 20 0 EDADLP COc1ccccc1CCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420303107 446465445 /nfs/dbraw/zinc/46/54/45/446465445.db2.gz HAFBWEOHJXSKAP-QGZVFWFLSA-N 2 2 331.460 1.524 20 0 EDADLP COc1ccccc1CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420303107 446465449 /nfs/dbraw/zinc/46/54/49/446465449.db2.gz HAFBWEOHJXSKAP-QGZVFWFLSA-N 2 2 331.460 1.524 20 0 EDADLP [NH3+]CCC[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000420302916 446465571 /nfs/dbraw/zinc/46/55/71/446465571.db2.gz MTATYKZZDHHZBG-UHFFFAOYSA-N 2 2 335.477 1.697 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000418233104 446467021 /nfs/dbraw/zinc/46/70/21/446467021.db2.gz IAJGRQQZISROKU-GUYCJALGSA-N 2 2 325.416 1.453 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000418233104 446467025 /nfs/dbraw/zinc/46/70/25/446467025.db2.gz IAJGRQQZISROKU-GUYCJALGSA-N 2 2 325.416 1.453 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000420306495 446470171 /nfs/dbraw/zinc/47/01/71/446470171.db2.gz HPSQXLIBKVVFRJ-CQSZACIVSA-N 2 2 335.452 1.547 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000420306495 446470177 /nfs/dbraw/zinc/47/01/77/446470177.db2.gz HPSQXLIBKVVFRJ-CQSZACIVSA-N 2 2 335.452 1.547 20 0 EDADLP C[NH2+]CCCNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418278063 446481840 /nfs/dbraw/zinc/48/18/40/446481840.db2.gz KLZQJTUAGAUHSG-OAHLLOKOSA-N 2 2 347.463 1.454 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]3[NH2+]CCCC3(C)C)c[nH+]2)CCO1 ZINC000423323342 446488174 /nfs/dbraw/zinc/48/81/74/446488174.db2.gz HEZRHGMSYGWCOP-WMLDXEAASA-N 2 2 346.475 1.701 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000420326799 446493958 /nfs/dbraw/zinc/49/39/58/446493958.db2.gz XTQGFQXJSPIKNB-INIZCTEOSA-N 2 2 333.476 1.928 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC[N@@H+]1CCOC ZINC000423374661 446507040 /nfs/dbraw/zinc/50/70/40/446507040.db2.gz CPZFJDAGPATCIQ-BLLLJJGKSA-N 2 2 341.402 1.534 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC[N@H+]1CCOC ZINC000423374661 446507049 /nfs/dbraw/zinc/50/70/49/446507049.db2.gz CPZFJDAGPATCIQ-BLLLJJGKSA-N 2 2 341.402 1.534 20 0 EDADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[NH2+]CCN2C)CC1 ZINC000423518406 446559112 /nfs/dbraw/zinc/55/91/12/446559112.db2.gz OOHWRGPOPSEDFB-FXAWDEMLSA-N 3 2 330.520 1.575 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H]1CC ZINC000423402642 446519808 /nfs/dbraw/zinc/51/98/08/446519808.db2.gz YTCIOYBHAYQFCN-OCCSQVGLSA-N 2 2 326.466 1.102 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H]1CC ZINC000423402642 446519812 /nfs/dbraw/zinc/51/98/12/446519812.db2.gz YTCIOYBHAYQFCN-OCCSQVGLSA-N 2 2 326.466 1.102 20 0 EDADLP CC(C)c1nc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)nc(N(C)C)[nH+]1 ZINC000367215873 446523208 /nfs/dbraw/zinc/52/32/08/446523208.db2.gz OHXGJILFOLJLGG-GJZGRUSLSA-N 2 2 348.495 1.974 20 0 EDADLP COC[C@]1(C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)CCC[NH2+]1 ZINC000423416058 446525614 /nfs/dbraw/zinc/52/56/14/446525614.db2.gz PYQUQLCOOFXTLR-DFQSSKMNSA-N 2 2 347.503 1.807 20 0 EDADLP COC[C@]1(CN[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000423416058 446525619 /nfs/dbraw/zinc/52/56/19/446525619.db2.gz PYQUQLCOOFXTLR-DFQSSKMNSA-N 2 2 347.503 1.807 20 0 EDADLP CCC[C@H](C(=O)OCC)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420354153 446533620 /nfs/dbraw/zinc/53/36/20/446533620.db2.gz OHWAPEVSJORSAH-CQSZACIVSA-N 2 2 335.452 1.293 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420357973 446536841 /nfs/dbraw/zinc/53/68/41/446536841.db2.gz DZIRGUFVJAULBU-OGHNNQOOSA-N 2 2 333.432 1.696 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420360177 446539913 /nfs/dbraw/zinc/53/99/13/446539913.db2.gz KQMXQTJBLGMAMY-GFCCVEGCSA-N 2 2 339.461 1.841 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420363253 446542258 /nfs/dbraw/zinc/54/22/58/446542258.db2.gz JEBXZOFRADGSNY-YZVOILCLSA-N 2 2 333.476 1.815 20 0 EDADLP CCCCNc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000367443405 446545869 /nfs/dbraw/zinc/54/58/69/446545869.db2.gz QPBIIBRNBOVPTK-CQSZACIVSA-N 2 2 348.495 1.606 20 0 EDADLP CCCCNc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]c(N)n1 ZINC000367443405 446545877 /nfs/dbraw/zinc/54/58/77/446545877.db2.gz QPBIIBRNBOVPTK-CQSZACIVSA-N 2 2 348.495 1.606 20 0 EDADLP C[C@@H]1CC(=O)NCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367446043 446548805 /nfs/dbraw/zinc/54/88/05/446548805.db2.gz BBIBEQDMVHVRAX-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1CC(=O)NCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000367446043 446548812 /nfs/dbraw/zinc/54/88/12/446548812.db2.gz BBIBEQDMVHVRAX-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1CC(=O)NCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000367446043 446548816 /nfs/dbraw/zinc/54/88/16/446548816.db2.gz BBIBEQDMVHVRAX-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1CC(=O)NCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000367446043 446548822 /nfs/dbraw/zinc/54/88/22/446548822.db2.gz BBIBEQDMVHVRAX-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NCc1ccccc1Cn1cccn1 ZINC000420372519 446550879 /nfs/dbraw/zinc/55/08/79/446550879.db2.gz YBKJTOGUUWMLCE-KRWDZBQOSA-N 2 2 343.475 1.511 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000420373204 446550981 /nfs/dbraw/zinc/55/09/81/446550981.db2.gz QWZDZQVQRIAEDK-XJKCOSOUSA-N 2 2 326.462 1.445 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C12CCOCC2 ZINC000453257958 446552381 /nfs/dbraw/zinc/55/23/81/446552381.db2.gz HIKQFDXXRCBNRW-YESZJQIVSA-N 2 2 326.481 1.397 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C12CCOCC2 ZINC000453257958 446552387 /nfs/dbraw/zinc/55/23/87/446552387.db2.gz HIKQFDXXRCBNRW-YESZJQIVSA-N 2 2 326.481 1.397 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420403470 446576990 /nfs/dbraw/zinc/57/69/90/446576990.db2.gz KYWVMBSQKAEPIC-MJGOQNOKSA-N 3 2 344.503 1.248 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420403470 446576992 /nfs/dbraw/zinc/57/69/92/446576992.db2.gz KYWVMBSQKAEPIC-MJGOQNOKSA-N 3 2 344.503 1.248 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000418666425 446640087 /nfs/dbraw/zinc/64/00/87/446640087.db2.gz DCTWQVFTDWZRJM-JKSUJKDBSA-N 3 2 339.528 1.314 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000418666425 446640094 /nfs/dbraw/zinc/64/00/94/446640094.db2.gz DCTWQVFTDWZRJM-JKSUJKDBSA-N 3 2 339.528 1.314 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423711742 446653367 /nfs/dbraw/zinc/65/33/67/446653367.db2.gz CIRKAKOMXWSVSL-JZXOWHBKSA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423711742 446653370 /nfs/dbraw/zinc/65/33/70/446653370.db2.gz CIRKAKOMXWSVSL-JZXOWHBKSA-N 2 2 335.492 1.478 20 0 EDADLP C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368142639 446666482 /nfs/dbraw/zinc/66/64/82/446666482.db2.gz MDMKRLHBHPWLNB-CWLKWCNXSA-N 2 2 336.501 1.920 20 0 EDADLP C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368142639 446666488 /nfs/dbraw/zinc/66/64/88/446666488.db2.gz MDMKRLHBHPWLNB-CWLKWCNXSA-N 2 2 336.501 1.920 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375177873 446626165 /nfs/dbraw/zinc/62/61/65/446626165.db2.gz CSAWRNPSZKTQOL-CQSZACIVSA-N 2 2 349.479 1.206 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375177873 446626169 /nfs/dbraw/zinc/62/61/69/446626169.db2.gz CSAWRNPSZKTQOL-CQSZACIVSA-N 2 2 349.479 1.206 20 0 EDADLP C[N@H+](C[C@@H](O)Cn1cccn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371205099 446688581 /nfs/dbraw/zinc/68/85/81/446688581.db2.gz NUUWJWKSYKSEQR-GOSISDBHSA-N 2 2 329.448 1.235 20 0 EDADLP C[N@@H+](C[C@@H](O)Cn1cccn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371205099 446688586 /nfs/dbraw/zinc/68/85/86/446688586.db2.gz NUUWJWKSYKSEQR-GOSISDBHSA-N 2 2 329.448 1.235 20 0 EDADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CSC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000423811192 446701889 /nfs/dbraw/zinc/70/18/89/446701889.db2.gz BUVHARMXMPNMOD-IXDOHACOSA-N 2 2 347.484 1.752 20 0 EDADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CSC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000423811192 446701894 /nfs/dbraw/zinc/70/18/94/446701894.db2.gz BUVHARMXMPNMOD-IXDOHACOSA-N 2 2 347.484 1.752 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000423831445 446721348 /nfs/dbraw/zinc/72/13/48/446721348.db2.gz QZDGINSDZKZUFI-BWUSGFMJSA-N 2 2 335.398 1.826 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000423831445 446721355 /nfs/dbraw/zinc/72/13/55/446721355.db2.gz QZDGINSDZKZUFI-BWUSGFMJSA-N 2 2 335.398 1.826 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C ZINC000423905818 446755060 /nfs/dbraw/zinc/75/50/60/446755060.db2.gz ZLKUUYBCFANKLV-ZBFHGGJFSA-N 2 2 339.480 1.380 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C1C[NH2+]C1 ZINC000423911659 446761525 /nfs/dbraw/zinc/76/15/25/446761525.db2.gz HHBKBBLCQRIJDC-SNPRPXQTSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C1C[NH2+]C1 ZINC000423911659 446761533 /nfs/dbraw/zinc/76/15/33/446761533.db2.gz HHBKBBLCQRIJDC-SNPRPXQTSA-N 2 2 339.480 1.974 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423913262 446763985 /nfs/dbraw/zinc/76/39/85/446763985.db2.gz JQDANYVCTSAFNU-NHCYSSNCSA-N 2 2 335.395 1.759 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423913262 446763988 /nfs/dbraw/zinc/76/39/88/446763988.db2.gz JQDANYVCTSAFNU-NHCYSSNCSA-N 2 2 335.395 1.759 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)[C@H]1COCC[NH2+]1 ZINC000423918964 446766325 /nfs/dbraw/zinc/76/63/25/446766325.db2.gz QBISWQMIJNHLFB-KCQAQPDRSA-N 2 2 341.452 1.107 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)[C@H]1COCC[NH2+]1 ZINC000423918964 446766331 /nfs/dbraw/zinc/76/63/31/446766331.db2.gz QBISWQMIJNHLFB-KCQAQPDRSA-N 2 2 341.452 1.107 20 0 EDADLP CC(C)(C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000376875079 446769791 /nfs/dbraw/zinc/76/97/91/446769791.db2.gz SHXOKKCDGMKLSC-SFHVURJKSA-N 2 2 345.487 1.878 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)C1([NH3+])CCCC1 ZINC000423926565 446776396 /nfs/dbraw/zinc/77/63/96/446776396.db2.gz DHLZOBPHVOHWIG-IRXDYDNUSA-N 2 2 331.460 1.788 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)C1([NH3+])CCCC1 ZINC000423926565 446776404 /nfs/dbraw/zinc/77/64/04/446776404.db2.gz DHLZOBPHVOHWIG-IRXDYDNUSA-N 2 2 331.460 1.788 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CCC[NH3+] ZINC000423926395 446776882 /nfs/dbraw/zinc/77/68/82/446776882.db2.gz PAXXQJDJMSIBAH-STQMWFEESA-N 2 2 328.457 1.561 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)CCC[NH3+] ZINC000423926395 446776888 /nfs/dbraw/zinc/77/68/88/446776888.db2.gz PAXXQJDJMSIBAH-STQMWFEESA-N 2 2 328.457 1.561 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)C1CC[NH2+]CC1 ZINC000423934672 446786116 /nfs/dbraw/zinc/78/61/16/446786116.db2.gz WGVCMZOXPWZPQB-ROUUACIJSA-N 2 2 331.460 1.516 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)C1CC[NH2+]CC1 ZINC000423934672 446786122 /nfs/dbraw/zinc/78/61/22/446786122.db2.gz WGVCMZOXPWZPQB-ROUUACIJSA-N 2 2 331.460 1.516 20 0 EDADLP COC1([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000412020191 446787126 /nfs/dbraw/zinc/78/71/26/446787126.db2.gz HVLBGXMUXXOJCP-INIZCTEOSA-N 2 2 346.475 1.668 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCOC ZINC000368384569 446827045 /nfs/dbraw/zinc/82/70/45/446827045.db2.gz WMLFDBDVUBVQNJ-JKSUJKDBSA-N 2 2 334.464 1.405 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCOC ZINC000368384569 446827053 /nfs/dbraw/zinc/82/70/53/446827053.db2.gz WMLFDBDVUBVQNJ-JKSUJKDBSA-N 2 2 334.464 1.405 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)o1 ZINC000368401742 446839867 /nfs/dbraw/zinc/83/98/67/446839867.db2.gz GCJKWXUHPKKNHZ-DYVFJYSZSA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)o1 ZINC000368401742 446839872 /nfs/dbraw/zinc/83/98/72/446839872.db2.gz GCJKWXUHPKKNHZ-DYVFJYSZSA-N 2 2 346.431 1.972 20 0 EDADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623178608 450436133 /nfs/dbraw/zinc/43/61/33/450436133.db2.gz YAPNGKPVUFLRRM-GOEBONIOSA-N 2 2 340.427 1.627 20 0 EDADLP O=C1CC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN12 ZINC000420928309 446900102 /nfs/dbraw/zinc/90/01/02/446900102.db2.gz COSPDZJAIBHYPD-GOSISDBHSA-N 2 2 329.444 1.325 20 0 EDADLP O=C1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN12 ZINC000420928309 446900107 /nfs/dbraw/zinc/90/01/07/446900107.db2.gz COSPDZJAIBHYPD-GOSISDBHSA-N 2 2 329.444 1.325 20 0 EDADLP C[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[NH+]1CCOCC1 ZINC000424126383 446858853 /nfs/dbraw/zinc/85/88/53/446858853.db2.gz BLOIOVHUCKKGLE-WBVHZDCISA-N 2 2 325.497 1.901 20 0 EDADLP Cn1c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2sc1=O ZINC000368440775 446864461 /nfs/dbraw/zinc/86/44/61/446864461.db2.gz HLXOVYNPYBCEBM-ZIAGYGMSSA-N 2 2 333.457 1.553 20 0 EDADLP Cn1c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2sc1=O ZINC000368440775 446864464 /nfs/dbraw/zinc/86/44/64/446864464.db2.gz HLXOVYNPYBCEBM-ZIAGYGMSSA-N 2 2 333.457 1.553 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000419011224 446866806 /nfs/dbraw/zinc/86/68/06/446866806.db2.gz ZNYHPNNOFVGUQV-JKSUJKDBSA-N 2 2 346.475 1.276 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000419011224 446866814 /nfs/dbraw/zinc/86/68/14/446866814.db2.gz ZNYHPNNOFVGUQV-JKSUJKDBSA-N 2 2 346.475 1.276 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000454433049 446871464 /nfs/dbraw/zinc/87/14/64/446871464.db2.gz KFDIRUHHLXRYOD-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000454433049 446871473 /nfs/dbraw/zinc/87/14/73/446871473.db2.gz KFDIRUHHLXRYOD-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000420914209 446885474 /nfs/dbraw/zinc/88/54/74/446885474.db2.gz KGQPISAVNRVXBP-FXQLRMTLSA-N 2 2 326.485 1.268 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454545437 446907232 /nfs/dbraw/zinc/90/72/32/446907232.db2.gz MYVFGRMMPDNLEK-PVAVHDDUSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000454545437 446907242 /nfs/dbraw/zinc/90/72/42/446907242.db2.gz MYVFGRMMPDNLEK-PVAVHDDUSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454545437 446907252 /nfs/dbraw/zinc/90/72/52/446907252.db2.gz MYVFGRMMPDNLEK-PVAVHDDUSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454545437 446907259 /nfs/dbraw/zinc/90/72/59/446907259.db2.gz MYVFGRMMPDNLEK-PVAVHDDUSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@@H](CO)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000420946297 446918724 /nfs/dbraw/zinc/91/87/24/446918724.db2.gz SFZABGVKSJKTEN-IAGOWNOFSA-N 2 2 346.475 1.071 20 0 EDADLP C[C@@H]1C[C@@H](CO)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000420946297 446918732 /nfs/dbraw/zinc/91/87/32/446918732.db2.gz SFZABGVKSJKTEN-IAGOWNOFSA-N 2 2 346.475 1.071 20 0 EDADLP COC(=O)C1(O)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420955550 446927363 /nfs/dbraw/zinc/92/73/63/446927363.db2.gz XXBQQFKRLILANJ-UHFFFAOYSA-N 2 2 348.443 1.019 20 0 EDADLP C[NH+](C)CC1(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CCC1 ZINC000375634065 446940178 /nfs/dbraw/zinc/94/01/78/446940178.db2.gz FTMMWYSROKHKLW-OAHLLOKOSA-N 2 2 331.464 1.834 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000368568018 446949403 /nfs/dbraw/zinc/94/94/03/446949403.db2.gz AVJOVBGHEFCVSG-MRXNPFEDSA-N 3 2 335.496 1.178 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000442762412 446956397 /nfs/dbraw/zinc/95/63/97/446956397.db2.gz HFTNHSJGMUDMMR-CHWSQXEVSA-N 2 2 327.450 1.233 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000442762412 446956401 /nfs/dbraw/zinc/95/64/01/446956401.db2.gz HFTNHSJGMUDMMR-CHWSQXEVSA-N 2 2 327.450 1.233 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2[nH+]c(C)n3c2CCCC3)CC1 ZINC000371778777 446963767 /nfs/dbraw/zinc/96/37/67/446963767.db2.gz UGDJCLCBLDOFGH-HNNXBMFYSA-N 2 2 349.479 1.126 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000372090493 446995846 /nfs/dbraw/zinc/99/58/46/446995846.db2.gz KZBYCENIQWXZRQ-ZIAGYGMSSA-N 2 2 336.436 1.149 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000372090493 446995850 /nfs/dbraw/zinc/99/58/50/446995850.db2.gz KZBYCENIQWXZRQ-ZIAGYGMSSA-N 2 2 336.436 1.149 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C1 ZINC000368642748 447002598 /nfs/dbraw/zinc/00/25/98/447002598.db2.gz OLLSYSLLCIWESA-IRXDYDNUSA-N 2 2 325.497 1.282 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C1 ZINC000368642748 447002601 /nfs/dbraw/zinc/00/26/01/447002601.db2.gz OLLSYSLLCIWESA-IRXDYDNUSA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)([NH+](C)C)C1 ZINC000413156394 447039189 /nfs/dbraw/zinc/03/91/89/447039189.db2.gz RRJVKYMQLLXIST-XLMAVXFVSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)([NH+](C)C)C1 ZINC000413156394 447039193 /nfs/dbraw/zinc/03/91/93/447039193.db2.gz RRJVKYMQLLXIST-XLMAVXFVSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]1CN(C(=O)CC2(O)CCCCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000375785228 447045891 /nfs/dbraw/zinc/04/58/91/447045891.db2.gz CFIOXWHQANVLTG-INIZCTEOSA-N 2 2 337.508 1.699 20 0 EDADLP C[C@H]1CN(C(=O)CC2(O)CCCCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375785228 447045893 /nfs/dbraw/zinc/04/58/93/447045893.db2.gz CFIOXWHQANVLTG-INIZCTEOSA-N 2 2 337.508 1.699 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(Cl)nc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000375798469 447059097 /nfs/dbraw/zinc/05/90/97/447059097.db2.gz XOJAKISRSFGAHG-CYBMUJFWSA-N 2 2 336.867 1.976 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(Cl)nc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375798469 447059100 /nfs/dbraw/zinc/05/91/00/447059100.db2.gz XOJAKISRSFGAHG-CYBMUJFWSA-N 2 2 336.867 1.976 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413210864 447070642 /nfs/dbraw/zinc/07/06/42/447070642.db2.gz WMWBDJHZWQTFKL-GDBMZVCRSA-N 2 2 344.463 1.715 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413210864 447070647 /nfs/dbraw/zinc/07/06/47/447070647.db2.gz WMWBDJHZWQTFKL-GDBMZVCRSA-N 2 2 344.463 1.715 20 0 EDADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000368804386 447118276 /nfs/dbraw/zinc/11/82/76/447118276.db2.gz DTFUGLXQLVEBOV-GGPKGHCWSA-N 2 2 343.471 1.046 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000372483742 447080267 /nfs/dbraw/zinc/08/02/67/447080267.db2.gz WOFFUTZTWYQPHV-HOTGVXAUSA-N 2 2 331.464 1.644 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)on1 ZINC000375906042 447137579 /nfs/dbraw/zinc/13/75/79/447137579.db2.gz NZCQPBZPGURNQV-HOTGVXAUSA-N 2 2 349.479 1.410 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)on1 ZINC000375906042 447137588 /nfs/dbraw/zinc/13/75/88/447137588.db2.gz NZCQPBZPGURNQV-HOTGVXAUSA-N 2 2 349.479 1.410 20 0 EDADLP C[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000372561141 447142039 /nfs/dbraw/zinc/14/20/39/447142039.db2.gz AFMTVDYQIOACFH-BZUAXINKSA-N 2 2 349.479 1.415 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372569782 447148987 /nfs/dbraw/zinc/14/89/87/447148987.db2.gz JTAYGBUKLGSPQA-MRXNPFEDSA-N 2 2 347.463 1.072 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372569782 447148992 /nfs/dbraw/zinc/14/89/92/447148992.db2.gz JTAYGBUKLGSPQA-MRXNPFEDSA-N 2 2 347.463 1.072 20 0 EDADLP C[NH+]1CCC(n2ccc(Nc3ncnc4c3C[N@H+](C)CC4)n2)CC1 ZINC000377474471 447150511 /nfs/dbraw/zinc/15/05/11/447150511.db2.gz UZNWSDGJAOUDKX-UHFFFAOYSA-N 2 2 327.436 1.671 20 0 EDADLP C[NH+]1CCC(n2ccc(Nc3ncnc4c3C[N@@H+](C)CC4)n2)CC1 ZINC000377474471 447150516 /nfs/dbraw/zinc/15/05/16/447150516.db2.gz UZNWSDGJAOUDKX-UHFFFAOYSA-N 2 2 327.436 1.671 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000425420588 447156748 /nfs/dbraw/zinc/15/67/48/447156748.db2.gz PKDITTNMPOYURN-CYBMUJFWSA-N 2 2 345.534 1.772 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)s1 ZINC000425420588 447156758 /nfs/dbraw/zinc/15/67/58/447156758.db2.gz PKDITTNMPOYURN-CYBMUJFWSA-N 2 2 345.534 1.772 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000425420588 447156766 /nfs/dbraw/zinc/15/67/66/447156766.db2.gz PKDITTNMPOYURN-CYBMUJFWSA-N 2 2 345.534 1.772 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000425420588 447156773 /nfs/dbraw/zinc/15/67/73/447156773.db2.gz PKDITTNMPOYURN-CYBMUJFWSA-N 2 2 345.534 1.772 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C[NH+]1CCCC1 ZINC000368821729 447134422 /nfs/dbraw/zinc/13/44/22/447134422.db2.gz BXWNIPGSCDUMST-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ncccn3)C2)c1 ZINC000377523200 447179037 /nfs/dbraw/zinc/17/90/37/447179037.db2.gz FAQNUVPRUTUHMS-LSDHHAIUSA-N 2 2 340.431 1.941 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ncccn3)C2)c1 ZINC000377523200 447179043 /nfs/dbraw/zinc/17/90/43/447179043.db2.gz FAQNUVPRUTUHMS-LSDHHAIUSA-N 2 2 340.431 1.941 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455626438 447187700 /nfs/dbraw/zinc/18/77/00/447187700.db2.gz YFLIFGDQCVJSEC-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455626438 447187713 /nfs/dbraw/zinc/18/77/13/447187713.db2.gz YFLIFGDQCVJSEC-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000372639023 447200897 /nfs/dbraw/zinc/20/08/97/447200897.db2.gz ILGISGDHMQUJGU-HOCLYGCPSA-N 2 2 334.464 1.909 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000377556570 447201712 /nfs/dbraw/zinc/20/17/12/447201712.db2.gz KNBXGOWICBJIBO-UHFFFAOYSA-N 2 2 342.443 1.915 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000377556570 447201716 /nfs/dbraw/zinc/20/17/16/447201716.db2.gz KNBXGOWICBJIBO-UHFFFAOYSA-N 2 2 342.443 1.915 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)CC1 ZINC000377558112 447203640 /nfs/dbraw/zinc/20/36/40/447203640.db2.gz FJMGYHJBUZEGDH-LJQANCHMSA-N 2 2 340.471 1.683 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)CC1 ZINC000377558112 447203649 /nfs/dbraw/zinc/20/36/49/447203649.db2.gz FJMGYHJBUZEGDH-LJQANCHMSA-N 2 2 340.471 1.683 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000372653163 447207268 /nfs/dbraw/zinc/20/72/68/447207268.db2.gz CKBIYKRJDLGZST-IAGOWNOFSA-N 2 2 346.475 1.477 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C[C@H]1C ZINC000372653163 447207274 /nfs/dbraw/zinc/20/72/74/447207274.db2.gz CKBIYKRJDLGZST-IAGOWNOFSA-N 2 2 346.475 1.477 20 0 EDADLP CCCCNc1cc(NCCc2cn3c([nH+]2)CCCC3)nc(N)[nH+]1 ZINC000376076811 447253622 /nfs/dbraw/zinc/25/36/22/447253622.db2.gz CMXQPSMMUNOIRW-UHFFFAOYSA-N 2 2 329.452 1.880 20 0 EDADLP CCCCNc1cc(NCCc2cn3c([nH+]2)CCCC3)[nH+]c(N)n1 ZINC000376076811 447253624 /nfs/dbraw/zinc/25/36/24/447253624.db2.gz CMXQPSMMUNOIRW-UHFFFAOYSA-N 2 2 329.452 1.880 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000455823078 447236059 /nfs/dbraw/zinc/23/60/59/447236059.db2.gz QMZLWTXLUFBYRJ-OAHLLOKOSA-N 2 2 341.908 1.895 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000455823078 447236067 /nfs/dbraw/zinc/23/60/67/447236067.db2.gz QMZLWTXLUFBYRJ-OAHLLOKOSA-N 2 2 341.908 1.895 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425584016 447238293 /nfs/dbraw/zinc/23/82/93/447238293.db2.gz IOWUBKSQDYXSNL-AWEZNQCLSA-N 2 2 337.468 1.716 20 0 EDADLP COc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000369050618 447289793 /nfs/dbraw/zinc/28/97/93/447289793.db2.gz JJDHCGYCLVEUID-LPHOPBHVSA-N 2 2 333.476 1.532 20 0 EDADLP COc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000369050618 447289795 /nfs/dbraw/zinc/28/97/95/447289795.db2.gz JJDHCGYCLVEUID-LPHOPBHVSA-N 2 2 333.476 1.532 20 0 EDADLP COc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000369050618 447289800 /nfs/dbraw/zinc/28/98/00/447289800.db2.gz JJDHCGYCLVEUID-LPHOPBHVSA-N 2 2 333.476 1.532 20 0 EDADLP COc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000369050618 447289802 /nfs/dbraw/zinc/28/98/02/447289802.db2.gz JJDHCGYCLVEUID-LPHOPBHVSA-N 2 2 333.476 1.532 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3ccncc3)cn2)CC1 ZINC000377689354 447295707 /nfs/dbraw/zinc/29/57/07/447295707.db2.gz DPHVOZKAMSMGML-GOSISDBHSA-N 2 2 338.459 1.961 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3ccncc3)cn2)CC1 ZINC000377689354 447295715 /nfs/dbraw/zinc/29/57/15/447295715.db2.gz DPHVOZKAMSMGML-GOSISDBHSA-N 2 2 338.459 1.961 20 0 EDADLP C[C@H](O)c1ncc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)s1 ZINC000377634350 447260780 /nfs/dbraw/zinc/26/07/80/447260780.db2.gz ZXWSDKVRHYIZHT-GJZGRUSLSA-N 2 2 338.521 1.798 20 0 EDADLP C[C@H](O)c1ncc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)s1 ZINC000377634350 447260784 /nfs/dbraw/zinc/26/07/84/447260784.db2.gz ZXWSDKVRHYIZHT-GJZGRUSLSA-N 2 2 338.521 1.798 20 0 EDADLP CN(C(=O)CCc1cscn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377635671 447261444 /nfs/dbraw/zinc/26/14/44/447261444.db2.gz BRVNIVMIJVDYRP-MRXNPFEDSA-N 2 2 336.505 1.703 20 0 EDADLP CN(C(=O)CCc1cscn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377635671 447261449 /nfs/dbraw/zinc/26/14/49/447261449.db2.gz BRVNIVMIJVDYRP-MRXNPFEDSA-N 2 2 336.505 1.703 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000494636721 447452724 /nfs/dbraw/zinc/45/27/24/447452724.db2.gz JKRIVFBFTASYBN-UXLLHSPISA-N 2 2 346.475 1.844 20 0 EDADLP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000390541886 447495135 /nfs/dbraw/zinc/49/51/35/447495135.db2.gz HNBJSEPFSJVQDY-AZUAARDMSA-N 3 2 330.520 1.924 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422323303 447474726 /nfs/dbraw/zinc/47/47/26/447474726.db2.gz FMEMXBIQLHQDEH-QGZVFWFLSA-N 2 2 346.475 1.695 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422323303 447474732 /nfs/dbraw/zinc/47/47/32/447474732.db2.gz FMEMXBIQLHQDEH-QGZVFWFLSA-N 2 2 346.475 1.695 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459108712 447577648 /nfs/dbraw/zinc/57/76/48/447577648.db2.gz PEUZBLKMSDTNHH-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000400190497 447569342 /nfs/dbraw/zinc/56/93/42/447569342.db2.gz ULTMOFCUJZRDED-IAGOWNOFSA-N 2 2 337.489 1.275 20 0 EDADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000400190497 447569349 /nfs/dbraw/zinc/56/93/49/447569349.db2.gz ULTMOFCUJZRDED-IAGOWNOFSA-N 2 2 337.489 1.275 20 0 EDADLP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400320138 447572471 /nfs/dbraw/zinc/57/24/71/447572471.db2.gz BLAVKNKATFVKBY-LSDHHAIUSA-N 2 2 329.485 1.800 20 0 EDADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400320138 447572473 /nfs/dbraw/zinc/57/24/73/447572473.db2.gz BLAVKNKATFVKBY-LSDHHAIUSA-N 2 2 329.485 1.800 20 0 EDADLP C[N@H+](CC[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)Cc1ccccc1 ZINC000450853242 447595656 /nfs/dbraw/zinc/59/56/56/447595656.db2.gz AVTKBGIGJQYDGX-SJORKVTESA-N 2 2 339.505 1.568 20 0 EDADLP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O)Cc1ccccc1 ZINC000450853242 447595660 /nfs/dbraw/zinc/59/56/60/447595660.db2.gz AVTKBGIGJQYDGX-SJORKVTESA-N 2 2 339.505 1.568 20 0 EDADLP CC(C)(CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[NH+]1CCCCC1 ZINC000416827578 447692419 /nfs/dbraw/zinc/69/24/19/447692419.db2.gz LAWLMHZVNBDRPF-ZDUSSCGKSA-N 2 2 332.439 1.795 20 0 EDADLP COC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451204014 447703574 /nfs/dbraw/zinc/70/35/74/447703574.db2.gz UYBGNWJJNKDSAW-VQIMIIECSA-N 2 2 346.475 1.477 20 0 EDADLP COC[C@]1(C)CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451204014 447703577 /nfs/dbraw/zinc/70/35/77/447703577.db2.gz UYBGNWJJNKDSAW-VQIMIIECSA-N 2 2 346.475 1.477 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)c2[nH+]ccn2C)cc1 ZINC000416909554 447704965 /nfs/dbraw/zinc/70/49/65/447704965.db2.gz QNWLTUBVDNFYMT-HOTGVXAUSA-N 2 2 343.431 1.555 20 0 EDADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCN1C(=O)N[C@@H](C)C1=O ZINC000459399889 447652995 /nfs/dbraw/zinc/65/29/95/447652995.db2.gz BGUHQWFFYUGNSF-RDJZCZTQSA-N 2 2 346.475 1.673 20 0 EDADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCN1C(=O)N[C@@H](C)C1=O ZINC000459399889 447653000 /nfs/dbraw/zinc/65/30/00/447653000.db2.gz BGUHQWFFYUGNSF-RDJZCZTQSA-N 2 2 346.475 1.673 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000422586716 447655471 /nfs/dbraw/zinc/65/54/71/447655471.db2.gz GFUCOLYOMCZLNR-CJNGLKHVSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000422586716 447655479 /nfs/dbraw/zinc/65/54/79/447655479.db2.gz GFUCOLYOMCZLNR-CJNGLKHVSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc(C)[nH+]1 ZINC000422590362 447658422 /nfs/dbraw/zinc/65/84/22/447658422.db2.gz OVCYJSQGARHCJT-UHFFFAOYSA-N 2 2 348.491 1.892 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cnc(C)cn2)nc[nH+]1 ZINC000427843065 447660650 /nfs/dbraw/zinc/66/06/50/447660650.db2.gz ROLQITDBLIRVFB-UONOGXRCSA-N 2 2 327.436 1.936 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC000422594833 447661911 /nfs/dbraw/zinc/66/19/11/447661911.db2.gz XKENKXUEKCXXBU-HNNXBMFYSA-N 2 2 332.448 1.115 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000422594833 447661918 /nfs/dbraw/zinc/66/19/18/447661918.db2.gz XKENKXUEKCXXBU-HNNXBMFYSA-N 2 2 332.448 1.115 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])c1c(F)cccc1F ZINC000422597560 447663014 /nfs/dbraw/zinc/66/30/14/447663014.db2.gz LCVWTYBSGCCTJJ-ZDUSSCGKSA-N 2 2 328.407 1.994 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000422634130 447680480 /nfs/dbraw/zinc/68/04/80/447680480.db2.gz JCZURNODTXJYBQ-IJEWVQPXSA-N 2 2 346.475 1.632 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000422634130 447680486 /nfs/dbraw/zinc/68/04/86/447680486.db2.gz JCZURNODTXJYBQ-IJEWVQPXSA-N 2 2 346.475 1.632 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422638252 447684036 /nfs/dbraw/zinc/68/40/36/447684036.db2.gz QAAMJAGIISFAHP-IHRRRGAJSA-N 2 2 333.432 1.717 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422638252 447684040 /nfs/dbraw/zinc/68/40/40/447684040.db2.gz QAAMJAGIISFAHP-IHRRRGAJSA-N 2 2 333.432 1.717 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451114537 447688334 /nfs/dbraw/zinc/68/83/34/447688334.db2.gz MFLAGFKONMTBFF-QAPCUYQASA-N 2 2 334.439 1.943 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@](C)(F)C1 ZINC000451114537 447688340 /nfs/dbraw/zinc/68/83/40/447688340.db2.gz MFLAGFKONMTBFF-QAPCUYQASA-N 2 2 334.439 1.943 20 0 EDADLP C[C@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000496105330 447713087 /nfs/dbraw/zinc/71/30/87/447713087.db2.gz KXHROPHKNJSIIM-XJKSGUPXSA-N 2 2 325.478 1.688 20 0 EDADLP C[C@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000496105330 447713097 /nfs/dbraw/zinc/71/30/97/447713097.db2.gz KXHROPHKNJSIIM-XJKSGUPXSA-N 2 2 325.478 1.688 20 0 EDADLP CCNC(=O)C(C)(C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000459601493 447719228 /nfs/dbraw/zinc/71/92/28/447719228.db2.gz XENJIDVBSZSOEA-QGZVFWFLSA-N 2 2 333.476 1.782 20 0 EDADLP CCNC(=O)C(C)(C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000459601493 447719232 /nfs/dbraw/zinc/71/92/32/447719232.db2.gz XENJIDVBSZSOEA-QGZVFWFLSA-N 2 2 333.476 1.782 20 0 EDADLP C[C@@H]1CN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000416955226 447724709 /nfs/dbraw/zinc/72/47/09/447724709.db2.gz LYCQGEHKKFINKK-OAHLLOKOSA-N 2 2 327.432 1.477 20 0 EDADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422716395 447726933 /nfs/dbraw/zinc/72/69/33/447726933.db2.gz UMLQKKHNNLWMRJ-XLIONFOSSA-N 3 2 330.520 1.912 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)[NH+]2CCOCC2)c1 ZINC000417005384 447729333 /nfs/dbraw/zinc/72/93/33/447729333.db2.gz YKTQJHJEIXMWGI-ROUUACIJSA-N 2 2 348.491 1.651 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000459670816 447736809 /nfs/dbraw/zinc/73/68/09/447736809.db2.gz VZIPFAQMEWQARV-ZDUSSCGKSA-N 2 2 344.415 1.756 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417172788 447736818 /nfs/dbraw/zinc/73/68/18/447736818.db2.gz GFWSKRCOUWCNFB-AEFFLSMTSA-N 2 2 348.491 1.666 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000458305825 447765301 /nfs/dbraw/zinc/76/53/01/447765301.db2.gz DULPUUNPVVOIRO-BZUAXINKSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000458305825 447765304 /nfs/dbraw/zinc/76/53/04/447765304.db2.gz DULPUUNPVVOIRO-BZUAXINKSA-N 2 2 326.485 1.221 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000458252028 447755282 /nfs/dbraw/zinc/75/52/82/447755282.db2.gz MKCDJUKMUBKPDS-LBPRGKRZSA-N 2 2 347.385 1.977 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000458252028 447755286 /nfs/dbraw/zinc/75/52/86/447755286.db2.gz MKCDJUKMUBKPDS-LBPRGKRZSA-N 2 2 347.385 1.977 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)COC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000429762715 447757148 /nfs/dbraw/zinc/75/71/48/447757148.db2.gz DKBZSMIQTMOZIY-HNNXBMFYSA-N 2 2 334.807 1.268 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)CC[NH2+]CC1 ZINC000422817115 447757505 /nfs/dbraw/zinc/75/75/05/447757505.db2.gz GTLFMLVSNMYIQA-CVEARBPZSA-N 3 2 327.513 1.874 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C)CC[NH2+]CC1 ZINC000422817117 447757514 /nfs/dbraw/zinc/75/75/14/447757514.db2.gz GTLFMLVSNMYIQA-HOTGVXAUSA-N 3 2 327.513 1.874 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000430557533 447778384 /nfs/dbraw/zinc/77/83/84/447778384.db2.gz NVBJVYZAHYYMTA-KBPBESRZSA-N 2 2 326.462 1.528 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000430557533 447778388 /nfs/dbraw/zinc/77/83/88/447778388.db2.gz NVBJVYZAHYYMTA-KBPBESRZSA-N 2 2 326.462 1.528 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430566714 447780566 /nfs/dbraw/zinc/78/05/66/447780566.db2.gz IDMIGVIGLWPKTM-WBVHZDCISA-N 2 2 341.459 1.548 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430566714 447780570 /nfs/dbraw/zinc/78/05/70/447780570.db2.gz IDMIGVIGLWPKTM-WBVHZDCISA-N 2 2 341.459 1.548 20 0 EDADLP COC[C@@]1(CO)CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000451927836 447786542 /nfs/dbraw/zinc/78/65/42/447786542.db2.gz NRDUXUXFKRACBK-APWZRJJASA-N 2 2 347.459 1.345 20 0 EDADLP COC[C@@]1(CO)CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000451927836 447786544 /nfs/dbraw/zinc/78/65/44/447786544.db2.gz NRDUXUXFKRACBK-APWZRJJASA-N 2 2 347.459 1.345 20 0 EDADLP COC(=O)COc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422983674 447787167 /nfs/dbraw/zinc/78/71/67/447787167.db2.gz UMOOGOIBCMQHLE-SJLPKXTDSA-N 2 2 334.416 1.095 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430930462 447787957 /nfs/dbraw/zinc/78/79/57/447787957.db2.gz AWROSFWDBJLWFS-ZDUSSCGKSA-N 2 2 327.375 1.446 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430930462 447787959 /nfs/dbraw/zinc/78/79/59/447787959.db2.gz AWROSFWDBJLWFS-ZDUSSCGKSA-N 2 2 327.375 1.446 20 0 EDADLP FC(F)(F)c1cccc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000423012933 447790922 /nfs/dbraw/zinc/79/09/22/447790922.db2.gz LONICYHKJQEXBF-IUODEOHRSA-N 2 2 345.365 1.836 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423078938 447800600 /nfs/dbraw/zinc/80/06/00/447800600.db2.gz WWDHWXIPFJLOBS-YOEHRIQHSA-N 2 2 340.489 1.727 20 0 EDADLP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1S(C)(=O)=O ZINC000423080238 447800794 /nfs/dbraw/zinc/80/07/94/447800794.db2.gz ZFFPYGFMVWVQLY-WBVHZDCISA-N 2 2 338.473 1.255 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000423112313 447807556 /nfs/dbraw/zinc/80/75/56/447807556.db2.gz JQCROTCWDMVDOM-NEWSRXKRSA-N 2 2 341.455 1.946 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000496620362 447834439 /nfs/dbraw/zinc/83/44/39/447834439.db2.gz BHYPIZQYAIYCKY-MAUKXSAKSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000496620362 447834440 /nfs/dbraw/zinc/83/44/40/447834440.db2.gz BHYPIZQYAIYCKY-MAUKXSAKSA-N 2 2 341.496 1.869 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](Nc2nc(C)[nH+]c(N(C)C)n2)[C@H](C)C1 ZINC000488386242 447846230 /nfs/dbraw/zinc/84/62/30/447846230.db2.gz LKYXVHTUHCJRIL-HIFRSBDPSA-N 2 2 336.484 1.795 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](Nc2nc(C)[nH+]c(N(C)C)n2)[C@H](C)C1 ZINC000488386242 447846231 /nfs/dbraw/zinc/84/62/31/447846231.db2.gz LKYXVHTUHCJRIL-HIFRSBDPSA-N 2 2 336.484 1.795 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@H](C)C1 ZINC000488386242 447846232 /nfs/dbraw/zinc/84/62/32/447846232.db2.gz LKYXVHTUHCJRIL-HIFRSBDPSA-N 2 2 336.484 1.795 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@H](C)C1 ZINC000488386242 447846233 /nfs/dbraw/zinc/84/62/33/447846233.db2.gz LKYXVHTUHCJRIL-HIFRSBDPSA-N 2 2 336.484 1.795 20 0 EDADLP Cc1nc(NCCC[N@@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000488397844 447846665 /nfs/dbraw/zinc/84/66/65/447846665.db2.gz ONOMTFBTZLUBIT-UHFFFAOYSA-N 2 2 326.448 2.106 20 0 EDADLP Cc1nc(NCCC[N@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000488397844 447846667 /nfs/dbraw/zinc/84/66/67/447846667.db2.gz ONOMTFBTZLUBIT-UHFFFAOYSA-N 2 2 326.448 2.106 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1C ZINC000488611894 447849430 /nfs/dbraw/zinc/84/94/30/447849430.db2.gz RVKQXXAZWVPZQL-KRWDZBQOSA-N 2 2 344.459 1.369 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1C ZINC000488611894 447849431 /nfs/dbraw/zinc/84/94/31/447849431.db2.gz RVKQXXAZWVPZQL-KRWDZBQOSA-N 2 2 344.459 1.369 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1C ZINC000488611894 447849433 /nfs/dbraw/zinc/84/94/33/447849433.db2.gz RVKQXXAZWVPZQL-KRWDZBQOSA-N 2 2 344.459 1.369 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1C ZINC000488611894 447849434 /nfs/dbraw/zinc/84/94/34/447849434.db2.gz RVKQXXAZWVPZQL-KRWDZBQOSA-N 2 2 344.459 1.369 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000486927440 447826626 /nfs/dbraw/zinc/82/66/26/447826626.db2.gz RINRLKSSFNACDL-UHFFFAOYSA-N 2 2 345.285 1.773 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000496744176 447873785 /nfs/dbraw/zinc/87/37/85/447873785.db2.gz HJBJVISIVRRVFS-ARFHVFGLSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000496744176 447873791 /nfs/dbraw/zinc/87/37/91/447873791.db2.gz HJBJVISIVRRVFS-ARFHVFGLSA-N 2 2 341.496 1.869 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000575853776 447911619 /nfs/dbraw/zinc/91/16/19/447911619.db2.gz XVYQGHLUIDYPGX-CQSZACIVSA-N 2 2 337.493 1.503 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000575853776 447911624 /nfs/dbraw/zinc/91/16/24/447911624.db2.gz XVYQGHLUIDYPGX-CQSZACIVSA-N 2 2 337.493 1.503 20 0 EDADLP COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000575982720 447943431 /nfs/dbraw/zinc/94/34/31/447943431.db2.gz KNQUEUMQIVUYTN-HUUCEWRRSA-N 2 2 331.416 1.443 20 0 EDADLP COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000575982720 447943436 /nfs/dbraw/zinc/94/34/36/447943436.db2.gz KNQUEUMQIVUYTN-HUUCEWRRSA-N 2 2 331.416 1.443 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000552735473 447957281 /nfs/dbraw/zinc/95/72/81/447957281.db2.gz YACLQQVQJUFDFQ-AWEZNQCLSA-N 2 2 343.431 1.463 20 0 EDADLP CN(C[C@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1)C(=O)OC(C)(C)C ZINC000496801371 447924778 /nfs/dbraw/zinc/92/47/78/447924778.db2.gz DGEABNZJOJCDFG-CQSZACIVSA-N 2 2 334.420 1.652 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC34CCOCC4)CC2)CC1 ZINC000530896235 447979691 /nfs/dbraw/zinc/97/96/91/447979691.db2.gz KYZOYQPTCRACFA-KRWDZBQOSA-N 2 2 335.492 1.478 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000576172471 447991701 /nfs/dbraw/zinc/99/17/01/447991701.db2.gz NKSOEMIBNWQLQO-CYBMUJFWSA-N 2 2 343.431 1.900 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000576172471 447991710 /nfs/dbraw/zinc/99/17/10/447991710.db2.gz NKSOEMIBNWQLQO-CYBMUJFWSA-N 2 2 343.431 1.900 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000576172471 447991717 /nfs/dbraw/zinc/99/17/17/447991717.db2.gz NKSOEMIBNWQLQO-CYBMUJFWSA-N 2 2 343.431 1.900 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000576172471 447991722 /nfs/dbraw/zinc/99/17/22/447991722.db2.gz NKSOEMIBNWQLQO-CYBMUJFWSA-N 2 2 343.431 1.900 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)C2)CC1 ZINC000525686649 448010749 /nfs/dbraw/zinc/01/07/49/448010749.db2.gz AKFRWNYUKOKDCD-MRXNPFEDSA-N 2 2 332.496 1.293 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)C2)CC1 ZINC000525686649 448010752 /nfs/dbraw/zinc/01/07/52/448010752.db2.gz AKFRWNYUKOKDCD-MRXNPFEDSA-N 2 2 332.496 1.293 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOCCNC(=O)OC(C)(C)C)C1 ZINC000496929140 448045977 /nfs/dbraw/zinc/04/59/77/448045977.db2.gz XQDRGGSNWBFCQM-AWEZNQCLSA-N 2 2 338.452 1.751 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOCCNC(=O)OC(C)(C)C)C1 ZINC000496929140 448045980 /nfs/dbraw/zinc/04/59/80/448045980.db2.gz XQDRGGSNWBFCQM-AWEZNQCLSA-N 2 2 338.452 1.751 20 0 EDADLP CC[NH+]1CCC(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000555293974 448071301 /nfs/dbraw/zinc/07/13/01/448071301.db2.gz DMWWOCFDLPIBAI-UHFFFAOYSA-N 2 2 345.491 1.052 20 0 EDADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H](C)C1 ZINC000555553510 448086526 /nfs/dbraw/zinc/08/65/26/448086526.db2.gz KKVDMGJICXPWRX-NXOAAHMSSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H]1C[C@@H]1[N@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H](C)C1 ZINC000555553510 448086532 /nfs/dbraw/zinc/08/65/32/448086532.db2.gz KKVDMGJICXPWRX-NXOAAHMSSA-N 2 2 345.491 1.604 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000526975020 448128888 /nfs/dbraw/zinc/12/88/88/448128888.db2.gz VQUPJFFKSQUUSV-JKSUJKDBSA-N 2 2 348.495 1.530 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000526975020 448128894 /nfs/dbraw/zinc/12/88/94/448128894.db2.gz VQUPJFFKSQUUSV-JKSUJKDBSA-N 2 2 348.495 1.530 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000497020063 448129054 /nfs/dbraw/zinc/12/90/54/448129054.db2.gz JYTVHQHKQFUQLX-GDBMZVCRSA-N 2 2 336.436 1.332 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000497020063 448129060 /nfs/dbraw/zinc/12/90/60/448129060.db2.gz JYTVHQHKQFUQLX-GDBMZVCRSA-N 2 2 336.436 1.332 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000576812777 448145121 /nfs/dbraw/zinc/14/51/21/448145121.db2.gz MSOFDZYFDVJDMO-MSOLQXFVSA-N 2 2 348.491 1.975 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000576812777 448145122 /nfs/dbraw/zinc/14/51/22/448145122.db2.gz MSOFDZYFDVJDMO-MSOLQXFVSA-N 2 2 348.491 1.975 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000576812777 448145124 /nfs/dbraw/zinc/14/51/24/448145124.db2.gz MSOFDZYFDVJDMO-MSOLQXFVSA-N 2 2 348.491 1.975 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000576812777 448145127 /nfs/dbraw/zinc/14/51/27/448145127.db2.gz MSOFDZYFDVJDMO-MSOLQXFVSA-N 2 2 348.491 1.975 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000576930212 448172107 /nfs/dbraw/zinc/17/21/07/448172107.db2.gz ONEGVKSPSXNZKW-KDOFPFPSSA-N 2 2 344.459 1.126 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000576930212 448172113 /nfs/dbraw/zinc/17/21/13/448172113.db2.gz ONEGVKSPSXNZKW-KDOFPFPSSA-N 2 2 344.459 1.126 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000514608501 448173006 /nfs/dbraw/zinc/17/30/06/448173006.db2.gz SSQYUOBBOGZJRT-QGZVFWFLSA-N 2 2 347.503 1.743 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)CCC(=O)N2 ZINC000531975006 448177995 /nfs/dbraw/zinc/17/79/95/448177995.db2.gz NOQLZDWZTGPYRS-SUMWQHHRSA-N 2 2 344.459 1.562 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)CCC(=O)N2 ZINC000531975006 448177999 /nfs/dbraw/zinc/17/79/99/448177999.db2.gz NOQLZDWZTGPYRS-SUMWQHHRSA-N 2 2 344.459 1.562 20 0 EDADLP O=C(COC1CC[NH2+]CC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000576982945 448184589 /nfs/dbraw/zinc/18/45/89/448184589.db2.gz DXKWFBUXIGSQDO-UHFFFAOYSA-N 2 2 342.443 1.359 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1c(F)cccc1Cl ZINC000571657617 448188474 /nfs/dbraw/zinc/18/84/74/448188474.db2.gz DYSALLJIHIZIBJ-GHMZBOCLSA-N 2 2 328.819 1.824 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1c(F)cccc1Cl ZINC000571657617 448188476 /nfs/dbraw/zinc/18/84/76/448188476.db2.gz DYSALLJIHIZIBJ-GHMZBOCLSA-N 2 2 328.819 1.824 20 0 EDADLP Cn1nc2c(cc1=O)C[N@@H+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000527324878 448210395 /nfs/dbraw/zinc/21/03/95/448210395.db2.gz GUIABLXTIVLNGT-UHFFFAOYSA-N 2 2 335.411 1.583 20 0 EDADLP Cn1nc2c(cc1=O)C[N@H+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000527324878 448210399 /nfs/dbraw/zinc/21/03/99/448210399.db2.gz GUIABLXTIVLNGT-UHFFFAOYSA-N 2 2 335.411 1.583 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000582409515 448228737 /nfs/dbraw/zinc/22/87/37/448228737.db2.gz MWYWDRUIOHHVBD-INIZCTEOSA-N 2 2 345.422 1.947 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)c3c[nH+]ccc3N)cc2)CC1 ZINC000514864467 448216793 /nfs/dbraw/zinc/21/67/93/448216793.db2.gz DRCBAHLQLDWZGQ-UHFFFAOYSA-N 2 2 325.416 1.494 20 0 EDADLP CNC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000515009584 448241928 /nfs/dbraw/zinc/24/19/28/448241928.db2.gz NVEBYLSSRHSZIS-JSGCOSHPSA-N 2 2 341.415 1.472 20 0 EDADLP CNC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000515009584 448241934 /nfs/dbraw/zinc/24/19/34/448241934.db2.gz NVEBYLSSRHSZIS-JSGCOSHPSA-N 2 2 341.415 1.472 20 0 EDADLP O[C@H](COc1cccc2[nH]ccc21)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571976740 448249389 /nfs/dbraw/zinc/24/93/89/448249389.db2.gz JWNFSLZAHSOGEC-AWEZNQCLSA-N 2 2 341.415 1.453 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000515094059 448258235 /nfs/dbraw/zinc/25/82/35/448258235.db2.gz ZJPHZJBXMGNDKG-UHFFFAOYSA-N 2 2 348.491 1.473 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000515388267 448306216 /nfs/dbraw/zinc/30/62/16/448306216.db2.gz WCFNLEFYEUSBSO-CQSZACIVSA-N 2 2 329.448 1.399 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000572088351 448278745 /nfs/dbraw/zinc/27/87/45/448278745.db2.gz VPFUGCWVUWOKKJ-CQSZACIVSA-N 2 2 342.447 1.435 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000572088351 448278748 /nfs/dbraw/zinc/27/87/48/448278748.db2.gz VPFUGCWVUWOKKJ-CQSZACIVSA-N 2 2 342.447 1.435 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000572147802 448300781 /nfs/dbraw/zinc/30/07/81/448300781.db2.gz MINQIUDVYTYCJR-BWPNAZKDSA-N 2 2 347.503 1.633 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000516049159 448372142 /nfs/dbraw/zinc/37/21/42/448372142.db2.gz YJMWYPJZYDZPQE-UHFFFAOYSA-N 2 2 339.399 2.346 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)CN1CC[NH+]1CCOCC1 ZINC000527666827 448335074 /nfs/dbraw/zinc/33/50/74/448335074.db2.gz WGFPHALBLVQUJT-QGZVFWFLSA-N 2 2 342.443 1.191 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000572466147 448384341 /nfs/dbraw/zinc/38/43/41/448384341.db2.gz LKAYVEJVFQYIRC-IAGOWNOFSA-N 2 2 332.448 1.020 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000572466147 448384348 /nfs/dbraw/zinc/38/43/48/448384348.db2.gz LKAYVEJVFQYIRC-IAGOWNOFSA-N 2 2 332.448 1.020 20 0 EDADLP COC[C@@]1(CNc2nc(-c3ccncc3)[nH+]c(C)c2C)CCC[NH2+]1 ZINC000516168733 448389756 /nfs/dbraw/zinc/38/97/56/448389756.db2.gz BYAPVBIENDDMPF-SFHVURJKSA-N 2 2 327.432 1.758 20 0 EDADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000577841819 448399286 /nfs/dbraw/zinc/39/92/86/448399286.db2.gz SGIRPTWUWHMPCX-KBPBESRZSA-N 2 2 338.477 1.173 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000533485818 448410041 /nfs/dbraw/zinc/41/00/41/448410041.db2.gz RYNTVTYEYXMJFC-DLBZAZTESA-N 2 2 339.528 1.042 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000533485818 448410046 /nfs/dbraw/zinc/41/00/46/448410046.db2.gz RYNTVTYEYXMJFC-DLBZAZTESA-N 2 2 339.528 1.042 20 0 EDADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000533485818 448410049 /nfs/dbraw/zinc/41/00/49/448410049.db2.gz RYNTVTYEYXMJFC-DLBZAZTESA-N 2 2 339.528 1.042 20 0 EDADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000533485818 448410054 /nfs/dbraw/zinc/41/00/54/448410054.db2.gz RYNTVTYEYXMJFC-DLBZAZTESA-N 2 2 339.528 1.042 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000577741269 448375088 /nfs/dbraw/zinc/37/50/88/448375088.db2.gz CMQOBRSHGAAPRC-INIZCTEOSA-N 2 2 341.402 1.994 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000577741269 448375093 /nfs/dbraw/zinc/37/50/93/448375093.db2.gz CMQOBRSHGAAPRC-INIZCTEOSA-N 2 2 341.402 1.994 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493159761 448375441 /nfs/dbraw/zinc/37/54/41/448375441.db2.gz GWQUPMGNCMOQRQ-LLYBFZRZSA-N 2 2 340.431 1.145 20 0 EDADLP COC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000577942395 448422088 /nfs/dbraw/zinc/42/20/88/448422088.db2.gz YNFOOJAQRJBPNY-LSDHHAIUSA-N 2 2 340.855 1.312 20 0 EDADLP COC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000577942395 448422095 /nfs/dbraw/zinc/42/20/95/448422095.db2.gz YNFOOJAQRJBPNY-LSDHHAIUSA-N 2 2 340.855 1.312 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000533865562 448427289 /nfs/dbraw/zinc/42/72/89/448427289.db2.gz QRPCMRDTCDQYKZ-GOEBONIOSA-N 2 2 342.443 1.923 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000533865562 448427296 /nfs/dbraw/zinc/42/72/96/448427296.db2.gz QRPCMRDTCDQYKZ-GOEBONIOSA-N 2 2 342.443 1.923 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCC[NH2+]CC1 ZINC000572704661 448442343 /nfs/dbraw/zinc/44/23/43/448442343.db2.gz DQSUVBJSPULHBS-KRWDZBQOSA-N 2 2 332.448 1.065 20 0 EDADLP Cc1c[nH+]cn1CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000528167141 448451374 /nfs/dbraw/zinc/45/13/74/448451374.db2.gz XYXMVQYRPZUMRS-UHFFFAOYSA-N 2 2 341.415 1.218 20 0 EDADLP [NH3+]CCc1ccccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000566408265 448463271 /nfs/dbraw/zinc/46/32/71/448463271.db2.gz VKDQIYNCVWUPJM-GOSISDBHSA-N 2 2 349.500 1.126 20 0 EDADLP c1nc(NCC[C@@H]2CCC[NH2+]C2)cc(NCC[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000584303042 448479121 /nfs/dbraw/zinc/47/91/21/448479121.db2.gz WAZCSGFYXRCTKV-HOTGVXAUSA-N 3 2 332.496 2.080 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000572853046 448481194 /nfs/dbraw/zinc/48/11/94/448481194.db2.gz WAXXIQPZDFSNSR-OAHLLOKOSA-N 2 2 340.468 1.312 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000572853046 448481201 /nfs/dbraw/zinc/48/12/01/448481201.db2.gz WAXXIQPZDFSNSR-OAHLLOKOSA-N 2 2 340.468 1.312 20 0 EDADLP Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C)c[nH+]1 ZINC000535060704 448482171 /nfs/dbraw/zinc/48/21/71/448482171.db2.gz LQDCQGYOKVJRRQ-DLBZAZTESA-N 2 2 332.448 1.620 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CCN2C1=O ZINC000566490206 448490353 /nfs/dbraw/zinc/49/03/53/448490353.db2.gz DUBKYZAOAKEOJE-FUHWJXTLSA-N 2 2 340.402 1.632 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CCN2C1=O ZINC000566490206 448490358 /nfs/dbraw/zinc/49/03/58/448490358.db2.gz DUBKYZAOAKEOJE-FUHWJXTLSA-N 2 2 340.402 1.632 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000584345282 448490736 /nfs/dbraw/zinc/49/07/36/448490736.db2.gz FWGBESUEPDRIEX-BXUZGUMPSA-N 2 2 340.265 1.767 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000584371080 448501619 /nfs/dbraw/zinc/50/16/19/448501619.db2.gz QPOISVAGOGZGDO-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000584371080 448501622 /nfs/dbraw/zinc/50/16/22/448501622.db2.gz QPOISVAGOGZGDO-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584371080 448501627 /nfs/dbraw/zinc/50/16/27/448501627.db2.gz QPOISVAGOGZGDO-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584371080 448501633 /nfs/dbraw/zinc/50/16/33/448501633.db2.gz QPOISVAGOGZGDO-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP CN1CC[NH+](CCOc2ccc(NC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC000584408390 448515432 /nfs/dbraw/zinc/51/54/32/448515432.db2.gz CLSSWGJLIOGPOY-UHFFFAOYSA-N 2 2 332.448 1.133 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000591873237 448523032 /nfs/dbraw/zinc/52/30/32/448523032.db2.gz ZBQFCNPVQGVLES-KRWDZBQOSA-N 2 2 347.507 1.812 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2CC)CC1 ZINC000591873237 448523035 /nfs/dbraw/zinc/52/30/35/448523035.db2.gz ZBQFCNPVQGVLES-KRWDZBQOSA-N 2 2 347.507 1.812 20 0 EDADLP Cc1cc(NC(=O)CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)no1 ZINC000536372570 448523216 /nfs/dbraw/zinc/52/32/16/448523216.db2.gz YWTNZAFQZJOKHE-UHFFFAOYSA-N 2 2 329.404 2.283 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000528527672 448570501 /nfs/dbraw/zinc/57/05/01/448570501.db2.gz MGRGKWKNXRYDJU-SFHVURJKSA-N 2 2 342.443 1.251 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000537980544 448576526 /nfs/dbraw/zinc/57/65/26/448576526.db2.gz CAFDKNHFXLNGMR-MNEFBYGVSA-N 2 2 333.476 1.669 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)C1CCOCC1 ZINC000537980544 448576531 /nfs/dbraw/zinc/57/65/31/448576531.db2.gz CAFDKNHFXLNGMR-MNEFBYGVSA-N 2 2 333.476 1.669 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000573084519 448538660 /nfs/dbraw/zinc/53/86/60/448538660.db2.gz ZLCJXEXCYYIYBM-ROUUACIJSA-N 2 2 336.476 1.744 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000573084519 448538664 /nfs/dbraw/zinc/53/86/64/448538664.db2.gz ZLCJXEXCYYIYBM-ROUUACIJSA-N 2 2 336.476 1.744 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000517140949 448542306 /nfs/dbraw/zinc/54/23/06/448542306.db2.gz YMBFSMHEMYTKQP-UHFFFAOYSA-N 2 2 347.463 1.059 20 0 EDADLP CC(C)c1nc(CC[NH2+]C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000566732597 448547234 /nfs/dbraw/zinc/54/72/34/448547234.db2.gz CWBDKWZDXNCEQX-IIAWOOMASA-N 2 2 341.521 1.869 20 0 EDADLP Cn1c2ccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)cc2[nH+]c1C1CC1 ZINC000573367083 448609254 /nfs/dbraw/zinc/60/92/54/448609254.db2.gz HCHQLXPHBJEHKW-CQSZACIVSA-N 2 2 328.416 1.445 20 0 EDADLP Clc1cnn2cc(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cnc12 ZINC000517730926 448609490 /nfs/dbraw/zinc/60/94/90/448609490.db2.gz MOGUKPAJVXWRRH-LSDHHAIUSA-N 2 2 335.839 1.282 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573374958 448611057 /nfs/dbraw/zinc/61/10/57/448611057.db2.gz GLDIGNKDZCGRKS-CWRNSKLLSA-N 2 2 335.473 1.055 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573374958 448611063 /nfs/dbraw/zinc/61/10/63/448611063.db2.gz GLDIGNKDZCGRKS-CWRNSKLLSA-N 2 2 335.473 1.055 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC000584616280 448585378 /nfs/dbraw/zinc/58/53/78/448585378.db2.gz IVJJLIDJIAELSN-RYRKJORJSA-N 2 2 348.491 1.699 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC000584616280 448585383 /nfs/dbraw/zinc/58/53/83/448585383.db2.gz IVJJLIDJIAELSN-RYRKJORJSA-N 2 2 348.491 1.699 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528703623 448638099 /nfs/dbraw/zinc/63/80/99/448638099.db2.gz IUXBUMOOHYDXIR-IYBDPMFKSA-N 2 2 346.431 1.153 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528703623 448638102 /nfs/dbraw/zinc/63/81/02/448638102.db2.gz IUXBUMOOHYDXIR-IYBDPMFKSA-N 2 2 346.431 1.153 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CCO1 ZINC000528706982 448639204 /nfs/dbraw/zinc/63/92/04/448639204.db2.gz FRBMIJNONKSSHN-INIZCTEOSA-N 2 2 348.447 1.401 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CCO1 ZINC000528706982 448639210 /nfs/dbraw/zinc/63/92/10/448639210.db2.gz FRBMIJNONKSSHN-INIZCTEOSA-N 2 2 348.447 1.401 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000540884910 448649129 /nfs/dbraw/zinc/64/91/29/448649129.db2.gz IQODLHUBAUDZTG-HNNXBMFYSA-N 2 2 344.463 1.447 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000540884910 448649133 /nfs/dbraw/zinc/64/91/33/448649133.db2.gz IQODLHUBAUDZTG-HNNXBMFYSA-N 2 2 344.463 1.447 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000528752065 448662289 /nfs/dbraw/zinc/66/22/89/448662289.db2.gz DDIRJISDPXDPRZ-YZLZLFLDSA-N 2 2 345.487 1.732 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000528759759 448664638 /nfs/dbraw/zinc/66/46/38/448664638.db2.gz GTGOLHLDPPXCJB-AFIMGQEJSA-N 2 2 335.448 1.325 20 0 EDADLP CCN1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000578898712 448666111 /nfs/dbraw/zinc/66/61/11/448666111.db2.gz DZSUTMHCKWYGIT-GOEBONIOSA-N 2 2 342.447 1.382 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)CC(F)(F)C[NH3+])cc2)CC1 ZINC000573692416 448692175 /nfs/dbraw/zinc/69/21/75/448692175.db2.gz BDTUIIUJUHXJEX-UHFFFAOYSA-N 2 2 326.391 1.357 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000518727291 448702504 /nfs/dbraw/zinc/70/25/04/448702504.db2.gz HWKGPNUAOZNWLR-HNNXBMFYSA-N 2 2 345.447 1.585 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000518733163 448703236 /nfs/dbraw/zinc/70/32/36/448703236.db2.gz VJDFJIOCPZMYTM-CGTJXYLNSA-N 2 2 346.475 1.266 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000518733163 448703242 /nfs/dbraw/zinc/70/32/42/448703242.db2.gz VJDFJIOCPZMYTM-CGTJXYLNSA-N 2 2 346.475 1.266 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CCCOC1 ZINC000542812859 448722593 /nfs/dbraw/zinc/72/25/93/448722593.db2.gz SHNGQGPTWGBTCN-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3nnc(C4CC4)o3)CC2)CC1 ZINC000542592684 448715650 /nfs/dbraw/zinc/71/56/50/448715650.db2.gz FAUBJTLNFRMDDD-UHFFFAOYSA-N 2 2 333.480 1.797 20 0 EDADLP c1ccc(-n2nnnc2CC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000519365275 448762403 /nfs/dbraw/zinc/76/24/03/448762403.db2.gz FNJWIUAONHPUDQ-IRXDYDNUSA-N 2 2 326.448 1.811 20 0 EDADLP c1ccc(-n2nnnc2CC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000519365275 448762411 /nfs/dbraw/zinc/76/24/11/448762411.db2.gz FNJWIUAONHPUDQ-IRXDYDNUSA-N 2 2 326.448 1.811 20 0 EDADLP C[NH+]1CCC(n2ccc(NC(=O)NCCCCn3cc[nH+]c3)n2)CC1 ZINC000573988355 448764113 /nfs/dbraw/zinc/76/41/13/448764113.db2.gz PGQUMIVZMDCNMG-UHFFFAOYSA-N 2 2 345.451 1.948 20 0 EDADLP CC(C)O[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000518971967 448726943 /nfs/dbraw/zinc/72/69/43/448726943.db2.gz DWWLDNRKHYEUEA-IAGOWNOFSA-N 2 2 346.475 1.618 20 0 EDADLP CC(C)O[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000518971967 448726950 /nfs/dbraw/zinc/72/69/50/448726950.db2.gz DWWLDNRKHYEUEA-IAGOWNOFSA-N 2 2 346.475 1.618 20 0 EDADLP COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579216002 448742160 /nfs/dbraw/zinc/74/21/60/448742160.db2.gz ZISIOTFREWCEKC-CVEARBPZSA-N 2 2 346.475 1.399 20 0 EDADLP COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579216002 448742169 /nfs/dbraw/zinc/74/21/69/448742169.db2.gz ZISIOTFREWCEKC-CVEARBPZSA-N 2 2 346.475 1.399 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000579228168 448745255 /nfs/dbraw/zinc/74/52/55/448745255.db2.gz BUAYRABXVUYLRE-BEFAXECRSA-N 3 2 332.492 1.652 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000579228168 448745259 /nfs/dbraw/zinc/74/52/59/448745259.db2.gz BUAYRABXVUYLRE-BEFAXECRSA-N 3 2 332.492 1.652 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000579229143 448746294 /nfs/dbraw/zinc/74/62/94/448746294.db2.gz FRLDDGWRLXTUKR-UONOGXRCSA-N 2 2 345.399 1.083 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000579229143 448746303 /nfs/dbraw/zinc/74/63/03/448746303.db2.gz FRLDDGWRLXTUKR-UONOGXRCSA-N 2 2 345.399 1.083 20 0 EDADLP Nc1nsc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000544350579 448759813 /nfs/dbraw/zinc/75/98/13/448759813.db2.gz FMOPIEXMIKTLIS-UHFFFAOYSA-N 2 2 347.473 1.690 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCOc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000567830020 448772393 /nfs/dbraw/zinc/77/23/93/448772393.db2.gz DESBJNSWJLYYFH-CYBMUJFWSA-N 2 2 325.840 1.600 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCOc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000567830020 448772399 /nfs/dbraw/zinc/77/23/99/448772399.db2.gz DESBJNSWJLYYFH-CYBMUJFWSA-N 2 2 325.840 1.600 20 0 EDADLP COc1ccccc1OCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000568096249 448815433 /nfs/dbraw/zinc/81/54/33/448815433.db2.gz VAWBZZLPTFQSCS-UHFFFAOYSA-N 2 2 334.460 1.901 20 0 EDADLP COC(=O)COc1c(C)cc(C[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000592428560 448831660 /nfs/dbraw/zinc/83/16/60/448831660.db2.gz AHAVGDQOGSAJSZ-ZBFHGGJFSA-N 2 2 336.432 1.403 20 0 EDADLP COC(=O)COc1c(C)cc(C[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000592428560 448831664 /nfs/dbraw/zinc/83/16/64/448831664.db2.gz AHAVGDQOGSAJSZ-ZBFHGGJFSA-N 2 2 336.432 1.403 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529368365 448844180 /nfs/dbraw/zinc/84/41/80/448844180.db2.gz UZYQZSKJNUXDDY-ZFWWWQNUSA-N 2 2 348.495 1.947 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471241 448851847 /nfs/dbraw/zinc/85/18/47/448851847.db2.gz PQTPQZFPCAVXIO-UHFFFAOYSA-N 2 2 331.416 1.628 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471241 448851854 /nfs/dbraw/zinc/85/18/54/448851854.db2.gz PQTPQZFPCAVXIO-UHFFFAOYSA-N 2 2 331.416 1.628 20 0 EDADLP COc1c(N)[nH+]cnc1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000568646696 448901250 /nfs/dbraw/zinc/90/12/50/448901250.db2.gz IGURJAMUMUJJJU-UHFFFAOYSA-N 2 2 335.452 1.762 20 0 EDADLP COc1c(N)nc[nH+]c1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000568646696 448901253 /nfs/dbraw/zinc/90/12/53/448901253.db2.gz IGURJAMUMUJJJU-UHFFFAOYSA-N 2 2 335.452 1.762 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(COCC3CC3)c2)[C@@H](C[NH3+])C1 ZINC000521358358 448973331 /nfs/dbraw/zinc/97/33/31/448973331.db2.gz JRRDYANLHFIPDZ-KRWDZBQOSA-N 2 2 332.448 1.720 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(COCC3CC3)c2)[C@@H](C[NH3+])C1 ZINC000521358358 448973337 /nfs/dbraw/zinc/97/33/37/448973337.db2.gz JRRDYANLHFIPDZ-KRWDZBQOSA-N 2 2 332.448 1.720 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529844561 448982929 /nfs/dbraw/zinc/98/29/29/448982929.db2.gz IUOXVFZMFXTHPH-OAHLLOKOSA-N 2 2 333.480 2.311 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529844561 448982931 /nfs/dbraw/zinc/98/29/31/448982931.db2.gz IUOXVFZMFXTHPH-OAHLLOKOSA-N 2 2 333.480 2.311 20 0 EDADLP CCOc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000521029717 448946725 /nfs/dbraw/zinc/94/67/25/448946725.db2.gz NVTZHDNOUZCJKN-IJEWVQPXSA-N 2 2 340.439 1.784 20 0 EDADLP CCOc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000521029717 448946730 /nfs/dbraw/zinc/94/67/30/448946730.db2.gz NVTZHDNOUZCJKN-IJEWVQPXSA-N 2 2 340.439 1.784 20 0 EDADLP COC(=O)C(C)(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000589258989 448999291 /nfs/dbraw/zinc/99/92/91/448999291.db2.gz HZCVFGSHPBSQCD-DLBZAZTESA-N 2 2 334.460 1.972 20 0 EDADLP COC(=O)C(C)(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000589258989 448999295 /nfs/dbraw/zinc/99/92/95/448999295.db2.gz HZCVFGSHPBSQCD-DLBZAZTESA-N 2 2 334.460 1.972 20 0 EDADLP CSCc1cccnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000589414896 449013538 /nfs/dbraw/zinc/01/35/38/449013538.db2.gz UKWAAYWNYPYSGS-OAHLLOKOSA-N 2 2 348.516 1.843 20 0 EDADLP CSCc1cccnc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000589414896 449013545 /nfs/dbraw/zinc/01/35/45/449013545.db2.gz UKWAAYWNYPYSGS-OAHLLOKOSA-N 2 2 348.516 1.843 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cnc(C4CC4)nc3)[nH+]c2)C1 ZINC000581929568 448989490 /nfs/dbraw/zinc/98/94/90/448989490.db2.gz SMGFVHWMSAJHKM-KRWDZBQOSA-N 2 2 338.459 2.501 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3cnn4c3[C@H](C[NH3+])CCC4)cn2c1 ZINC000592957684 449079401 /nfs/dbraw/zinc/07/94/01/449079401.db2.gz QQSVNKBFXXHWHG-ZDUSSCGKSA-N 2 2 338.415 1.605 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCOC(C)(C)C)CC2)CC1 ZINC000522409041 449080505 /nfs/dbraw/zinc/08/05/05/449080505.db2.gz TUVBKCWMUQQTHO-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP NC(=O)c1c[nH+]ccc1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000569535667 449037317 /nfs/dbraw/zinc/03/73/17/449037317.db2.gz JVLSCMYXGVOLBE-OAHLLOKOSA-N 2 2 342.468 1.632 20 0 EDADLP NC(=O)c1c[nH+]ccc1NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000569535667 449037322 /nfs/dbraw/zinc/03/73/22/449037322.db2.gz JVLSCMYXGVOLBE-OAHLLOKOSA-N 2 2 342.468 1.632 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000575237209 449067650 /nfs/dbraw/zinc/06/76/50/449067650.db2.gz HHEPVWNTGSDTOI-QFSBIZTOSA-N 2 2 325.403 1.600 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530231285 449089504 /nfs/dbraw/zinc/08/95/04/449089504.db2.gz NTSBKUQVGUNNIW-GPJFCIFZSA-N 2 2 331.504 1.911 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530231285 449089509 /nfs/dbraw/zinc/08/95/09/449089509.db2.gz NTSBKUQVGUNNIW-GPJFCIFZSA-N 2 2 331.504 1.911 20 0 EDADLP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)C1 ZINC000575409757 449095074 /nfs/dbraw/zinc/09/50/74/449095074.db2.gz YPWOHGOODBNWIS-BETUJISGSA-N 2 2 343.431 1.113 20 0 EDADLP COC(=O)c1ccccc1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862823 449215063 /nfs/dbraw/zinc/21/50/63/449215063.db2.gz HHEXPBMZWCTFLA-KRWDZBQOSA-N 2 2 332.444 1.547 20 0 EDADLP COC(=O)c1ccccc1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595862823 449215068 /nfs/dbraw/zinc/21/50/68/449215068.db2.gz HHEXPBMZWCTFLA-KRWDZBQOSA-N 2 2 332.444 1.547 20 0 EDADLP CN(Cc1cccnc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604210138 449194155 /nfs/dbraw/zinc/19/41/55/449194155.db2.gz WQMGHHJJQLEOAK-INIZCTEOSA-N 2 2 331.464 1.392 20 0 EDADLP CN(Cc1cccnc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604210138 449194161 /nfs/dbraw/zinc/19/41/61/449194161.db2.gz WQMGHHJJQLEOAK-INIZCTEOSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C)c1ncccc1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590853295 449321511 /nfs/dbraw/zinc/32/15/11/449321511.db2.gz XPUTUKZPRLVTAN-OAHLLOKOSA-N 2 2 328.420 1.891 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590853295 449321513 /nfs/dbraw/zinc/32/15/13/449321513.db2.gz XPUTUKZPRLVTAN-OAHLLOKOSA-N 2 2 328.420 1.891 20 0 EDADLP COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000593904558 449275403 /nfs/dbraw/zinc/27/54/03/449275403.db2.gz ZEGMCLVWSHDFKJ-CYBMUJFWSA-N 2 2 337.420 1.478 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000611407241 449282851 /nfs/dbraw/zinc/28/28/51/449282851.db2.gz MMQLFIBQZCUOHE-OAHLLOKOSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)CC[N@H+]1CCN(Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000611407241 449282854 /nfs/dbraw/zinc/28/28/54/449282854.db2.gz MMQLFIBQZCUOHE-OAHLLOKOSA-N 2 2 330.432 1.712 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000600499636 449413933 /nfs/dbraw/zinc/41/39/33/449413933.db2.gz JFAQVAZFZOFYAC-INIZCTEOSA-N 2 2 333.480 1.422 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000600499636 449413938 /nfs/dbraw/zinc/41/39/38/449413938.db2.gz JFAQVAZFZOFYAC-INIZCTEOSA-N 2 2 333.480 1.422 20 0 EDADLP CN(C(=O)c1ccc(Cl)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605513618 449387991 /nfs/dbraw/zinc/38/79/91/449387991.db2.gz IMIURASRFPYOCC-HNNXBMFYSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1ccc(Cl)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605513618 449387997 /nfs/dbraw/zinc/38/79/97/449387997.db2.gz IMIURASRFPYOCC-HNNXBMFYSA-N 2 2 336.867 1.976 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cnn3cccc(Cl)c23)CC1 ZINC000611977880 449501276 /nfs/dbraw/zinc/50/12/76/449501276.db2.gz MHTFJMVLIGTDID-UHFFFAOYSA-N 2 2 349.866 1.744 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCOC4(C[NH2+]C4)C3)cn2c1 ZINC000596581390 449559649 /nfs/dbraw/zinc/55/96/49/449559649.db2.gz XREFTBAMGBWQGQ-UHFFFAOYSA-N 2 2 346.456 1.077 20 0 EDADLP CCC[N@H+](C)CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000607333465 449597865 /nfs/dbraw/zinc/59/78/65/449597865.db2.gz KKINTIBAIDJAAK-UHFFFAOYSA-N 2 2 332.448 1.355 20 0 EDADLP CCC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000607333465 449597871 /nfs/dbraw/zinc/59/78/71/449597871.db2.gz KKINTIBAIDJAAK-UHFFFAOYSA-N 2 2 332.448 1.355 20 0 EDADLP C[NH+]1CCN(CC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC1 ZINC000600938202 449601324 /nfs/dbraw/zinc/60/13/24/449601324.db2.gz GGGBAQAKPLFMEY-UHFFFAOYSA-N 2 2 341.459 1.949 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000594647111 449603427 /nfs/dbraw/zinc/60/34/27/449603427.db2.gz BLCKUKKELOMCEF-AHCXZYCDSA-N 2 2 337.508 1.721 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000594647111 449603431 /nfs/dbraw/zinc/60/34/31/449603431.db2.gz BLCKUKKELOMCEF-AHCXZYCDSA-N 2 2 337.508 1.721 20 0 EDADLP COC(=O)c1csc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000602473007 449617877 /nfs/dbraw/zinc/61/78/77/449617877.db2.gz GUNLVPWENFGSPJ-HNNXBMFYSA-N 2 2 337.489 1.747 20 0 EDADLP COC(=O)c1csc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000602473007 449617885 /nfs/dbraw/zinc/61/78/85/449617885.db2.gz GUNLVPWENFGSPJ-HNNXBMFYSA-N 2 2 337.489 1.747 20 0 EDADLP CCOC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)on1 ZINC000602484863 449626553 /nfs/dbraw/zinc/62/65/53/449626553.db2.gz JFMIAXSTYFXAIN-UHOFOFEASA-N 2 2 337.420 1.535 20 0 EDADLP CCOC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)on1 ZINC000602484863 449626557 /nfs/dbraw/zinc/62/65/57/449626557.db2.gz JFMIAXSTYFXAIN-UHOFOFEASA-N 2 2 337.420 1.535 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000617504611 449650744 /nfs/dbraw/zinc/65/07/44/449650744.db2.gz BRZWPYSOXKWBTA-FUHWJXTLSA-N 3 2 334.508 1.678 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000617504611 449650747 /nfs/dbraw/zinc/65/07/47/449650747.db2.gz BRZWPYSOXKWBTA-FUHWJXTLSA-N 3 2 334.508 1.678 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612577773 449783246 /nfs/dbraw/zinc/78/32/46/449783246.db2.gz FBVJKMWWXZSCHW-VHSSKADRSA-N 2 2 346.475 1.399 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612577773 449783249 /nfs/dbraw/zinc/78/32/49/449783249.db2.gz FBVJKMWWXZSCHW-VHSSKADRSA-N 2 2 346.475 1.399 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000601270925 449789857 /nfs/dbraw/zinc/78/98/57/449789857.db2.gz CNKQXEZIDRTFSF-INIZCTEOSA-N 2 2 348.495 1.215 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000601270925 449789861 /nfs/dbraw/zinc/78/98/61/449789861.db2.gz CNKQXEZIDRTFSF-INIZCTEOSA-N 2 2 348.495 1.215 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000617765096 449826870 /nfs/dbraw/zinc/82/68/70/449826870.db2.gz TWYDAULCOPBWHP-AWEZNQCLSA-N 2 2 339.509 1.112 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1c1nccs1 ZINC000617765096 449826876 /nfs/dbraw/zinc/82/68/76/449826876.db2.gz TWYDAULCOPBWHP-AWEZNQCLSA-N 2 2 339.509 1.112 20 0 EDADLP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]c2c1C(=O)CCC2 ZINC000617767785 449830585 /nfs/dbraw/zinc/83/05/85/449830585.db2.gz CKPYWTIMMKCMBF-UHFFFAOYSA-N 2 2 334.464 1.455 20 0 EDADLP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]c2c1C(=O)CCC2 ZINC000617767785 449830592 /nfs/dbraw/zinc/83/05/92/449830592.db2.gz CKPYWTIMMKCMBF-UHFFFAOYSA-N 2 2 334.464 1.455 20 0 EDADLP C[C@@H](NC(=O)C1CCCCC1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767319 449830850 /nfs/dbraw/zinc/83/08/50/449830850.db2.gz OYQZNPYKVIKIGG-OAHLLOKOSA-N 2 2 340.512 1.071 20 0 EDADLP C[C@@H](NC(=O)C1CCCCC1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767319 449830855 /nfs/dbraw/zinc/83/08/55/449830855.db2.gz OYQZNPYKVIKIGG-OAHLLOKOSA-N 2 2 340.512 1.071 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn(-c2ccccc2)c1 ZINC000617768419 449832837 /nfs/dbraw/zinc/83/28/37/449832837.db2.gz BYAUTBCVIHLETQ-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn(-c2ccccc2)c1 ZINC000617768419 449832844 /nfs/dbraw/zinc/83/28/44/449832844.db2.gz BYAUTBCVIHLETQ-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000617768050 449832881 /nfs/dbraw/zinc/83/28/81/449832881.db2.gz NLIZGTGCJRTJGT-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000617768050 449832888 /nfs/dbraw/zinc/83/28/88/449832888.db2.gz NLIZGTGCJRTJGT-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000617768304 449833786 /nfs/dbraw/zinc/83/37/86/449833786.db2.gz YCQCLWNCNIGRDC-UHFFFAOYSA-N 2 2 346.475 1.575 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000617768304 449833791 /nfs/dbraw/zinc/83/37/91/449833791.db2.gz YCQCLWNCNIGRDC-UHFFFAOYSA-N 2 2 346.475 1.575 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000599277354 449854387 /nfs/dbraw/zinc/85/43/87/449854387.db2.gz MSEDMBDCSZDZOR-DLBZAZTESA-N 2 2 326.481 1.744 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000599277354 449854395 /nfs/dbraw/zinc/85/43/95/449854395.db2.gz MSEDMBDCSZDZOR-DLBZAZTESA-N 2 2 326.481 1.744 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000597186650 449861747 /nfs/dbraw/zinc/86/17/47/449861747.db2.gz KQULRLASCOGLII-ZWKOTPCHSA-N 2 2 332.444 1.614 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612753757 449868520 /nfs/dbraw/zinc/86/85/20/449868520.db2.gz SPLUONOQVFHPJI-KFZJALRRSA-N 2 2 332.448 1.225 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612753757 449868523 /nfs/dbraw/zinc/86/85/23/449868523.db2.gz SPLUONOQVFHPJI-KFZJALRRSA-N 2 2 332.448 1.225 20 0 EDADLP CCOC(=O)C[C@H](O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000599304642 449877271 /nfs/dbraw/zinc/87/72/71/449877271.db2.gz ZMCVGHIAALVGDY-KRWDZBQOSA-N 2 2 349.475 1.934 20 0 EDADLP CCOC(=O)C[C@H](O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000599304642 449877273 /nfs/dbraw/zinc/87/72/73/449877273.db2.gz ZMCVGHIAALVGDY-KRWDZBQOSA-N 2 2 349.475 1.934 20 0 EDADLP c1cn(-c2cc(N3CCC(OCC[NH+]4CCCC4)CC3)ncn2)c[nH+]1 ZINC000608754815 449929923 /nfs/dbraw/zinc/92/99/23/449929923.db2.gz HHMPSABTDZEIEU-UHFFFAOYSA-N 2 2 342.447 1.744 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000601476980 450000374 /nfs/dbraw/zinc/00/03/74/450000374.db2.gz NKEDHMWMDNPQJA-MSOLQXFVSA-N 3 2 336.524 1.488 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000601476980 450000378 /nfs/dbraw/zinc/00/03/78/450000378.db2.gz NKEDHMWMDNPQJA-MSOLQXFVSA-N 3 2 336.524 1.488 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601476980 450000380 /nfs/dbraw/zinc/00/03/80/450000380.db2.gz NKEDHMWMDNPQJA-MSOLQXFVSA-N 3 2 336.524 1.488 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601476980 450000384 /nfs/dbraw/zinc/00/03/84/450000384.db2.gz NKEDHMWMDNPQJA-MSOLQXFVSA-N 3 2 336.524 1.488 20 0 EDADLP CN(C(=O)C1(C(F)(F)F)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479918 450002730 /nfs/dbraw/zinc/00/27/30/450002730.db2.gz YIZIRYFTEDGESE-CYBMUJFWSA-N 2 2 333.398 1.956 20 0 EDADLP CN(C(=O)C1(C(F)(F)F)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479918 450002732 /nfs/dbraw/zinc/00/27/32/450002732.db2.gz YIZIRYFTEDGESE-CYBMUJFWSA-N 2 2 333.398 1.956 20 0 EDADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000595329622 450044344 /nfs/dbraw/zinc/04/43/44/450044344.db2.gz WAPKQGXSKFUBBU-JKSUJKDBSA-N 2 2 337.464 1.101 20 0 EDADLP COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000595329622 450044348 /nfs/dbraw/zinc/04/43/48/450044348.db2.gz WAPKQGXSKFUBBU-JKSUJKDBSA-N 2 2 337.464 1.101 20 0 EDADLP COC(=O)C[C@@](C)([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cccc(F)c1 ZINC000595483816 450175919 /nfs/dbraw/zinc/17/59/19/450175919.db2.gz MYZHAHDELBFRGW-FUHWJXTLSA-N 2 2 340.439 1.895 20 0 EDADLP COC(=O)C[C@@](C)([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cccc(F)c1 ZINC000595483816 450175924 /nfs/dbraw/zinc/17/59/24/450175924.db2.gz MYZHAHDELBFRGW-FUHWJXTLSA-N 2 2 340.439 1.895 20 0 EDADLP NC(=O)NC(=O)CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552634 450226816 /nfs/dbraw/zinc/22/68/16/450226816.db2.gz YANDZNQBZDQKDP-UHFFFAOYSA-N 2 2 329.404 1.402 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603601570 450333043 /nfs/dbraw/zinc/33/30/43/450333043.db2.gz GPZLLZLRHLFMBK-IYBDPMFKSA-N 2 2 348.495 1.500 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603601570 450333049 /nfs/dbraw/zinc/33/30/49/450333049.db2.gz GPZLLZLRHLFMBK-IYBDPMFKSA-N 2 2 348.495 1.500 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000616157913 450337874 /nfs/dbraw/zinc/33/78/74/450337874.db2.gz VPYJUHXUUYZMIQ-WBVHZDCISA-N 2 2 342.443 1.457 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000616157913 450337877 /nfs/dbraw/zinc/33/78/77/450337877.db2.gz VPYJUHXUUYZMIQ-WBVHZDCISA-N 2 2 342.443 1.457 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000623308239 450491831 /nfs/dbraw/zinc/49/18/31/450491831.db2.gz XJFXYKBJMXEFAZ-WMLDXEAASA-N 2 2 325.416 1.374 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000623308239 450491836 /nfs/dbraw/zinc/49/18/36/450491836.db2.gz XJFXYKBJMXEFAZ-WMLDXEAASA-N 2 2 325.416 1.374 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000623342060 450500977 /nfs/dbraw/zinc/50/09/77/450500977.db2.gz DKRJRHYQGAAYBI-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000623342060 450500982 /nfs/dbraw/zinc/50/09/82/450500982.db2.gz DKRJRHYQGAAYBI-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000616926001 450516996 /nfs/dbraw/zinc/51/69/96/450516996.db2.gz YSDLJZGCJKZOFU-KRWDZBQOSA-N 2 2 328.416 1.659 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000616926001 450516998 /nfs/dbraw/zinc/51/69/98/450516998.db2.gz YSDLJZGCJKZOFU-KRWDZBQOSA-N 2 2 328.416 1.659 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)CC2 ZINC000625868271 450524407 /nfs/dbraw/zinc/52/44/07/450524407.db2.gz VTTHDMVQUITBAE-CVEARBPZSA-N 2 2 332.448 1.077 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000620727846 450536365 /nfs/dbraw/zinc/53/63/65/450536365.db2.gz YADGEDFOHSQLCC-GOSISDBHSA-N 2 2 341.459 1.275 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000620727846 450536367 /nfs/dbraw/zinc/53/63/67/450536367.db2.gz YADGEDFOHSQLCC-GOSISDBHSA-N 2 2 341.459 1.275 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625942365 450539440 /nfs/dbraw/zinc/53/94/40/450539440.db2.gz FEGVOKHOLVGUBX-UHFFFAOYSA-N 2 2 329.404 1.919 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000620935328 450564109 /nfs/dbraw/zinc/56/41/09/450564109.db2.gz IPJMYLPOEJZIDE-LJQANCHMSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000620935328 450564111 /nfs/dbraw/zinc/56/41/11/450564111.db2.gz IPJMYLPOEJZIDE-LJQANCHMSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000626137696 450581338 /nfs/dbraw/zinc/58/13/38/450581338.db2.gz RRSOUHOVOSALGL-NLWGTHIKSA-N 2 2 343.471 1.176 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000626137696 450581339 /nfs/dbraw/zinc/58/13/39/450581339.db2.gz RRSOUHOVOSALGL-NLWGTHIKSA-N 2 2 343.471 1.176 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(c3cc(C)cc[nH+]3)CC1)CC2 ZINC000626165292 450595444 /nfs/dbraw/zinc/59/54/44/450595444.db2.gz MRXPDYMEWJZTLN-INIZCTEOSA-N 2 2 339.443 1.806 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633069098 450657383 /nfs/dbraw/zinc/65/73/83/450657383.db2.gz GQSPHQYLVCUHCS-ZWKOTPCHSA-N 2 2 340.427 1.082 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000633069098 450657386 /nfs/dbraw/zinc/65/73/86/450657386.db2.gz GQSPHQYLVCUHCS-ZWKOTPCHSA-N 2 2 340.427 1.082 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000633036236 450631912 /nfs/dbraw/zinc/63/19/12/450631912.db2.gz ICJOPVNUVGCHTP-OLZOCXBDSA-N 2 2 340.383 1.761 20 0 EDADLP C[NH+](C)CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629438248 450683866 /nfs/dbraw/zinc/68/38/66/450683866.db2.gz JWAVRHMARCIBFS-QGZVFWFLSA-N 2 2 334.464 1.131 20 0 EDADLP C[NH+](C)CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629438248 450683871 /nfs/dbraw/zinc/68/38/71/450683871.db2.gz JWAVRHMARCIBFS-QGZVFWFLSA-N 2 2 334.464 1.131 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000635172784 450717205 /nfs/dbraw/zinc/71/72/05/450717205.db2.gz BZHXEZLHEOIPMN-UHFFFAOYSA-N 2 2 330.432 1.351 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629542952 450729561 /nfs/dbraw/zinc/72/95/61/450729561.db2.gz PZICLQFSFBLQNQ-IHRRRGAJSA-N 2 2 325.478 1.742 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629563257 450737163 /nfs/dbraw/zinc/73/71/63/450737163.db2.gz DJHFDIRKNYLXBO-OCCSQVGLSA-N 2 2 347.356 1.901 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629563257 450737169 /nfs/dbraw/zinc/73/71/69/450737169.db2.gz DJHFDIRKNYLXBO-OCCSQVGLSA-N 2 2 347.356 1.901 20 0 EDADLP C[C@@H](CNS(=O)(=O)CCC[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000631727992 450737516 /nfs/dbraw/zinc/73/75/16/450737516.db2.gz USKTXHGIOHKEEO-ZDUSSCGKSA-N 2 2 345.534 1.366 20 0 EDADLP C[C@@H](CNS(=O)(=O)CCC[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000631727992 450737523 /nfs/dbraw/zinc/73/75/23/450737523.db2.gz USKTXHGIOHKEEO-ZDUSSCGKSA-N 2 2 345.534 1.366 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(C)(c3ccccc3)C2)CC1 ZINC000621488848 450743171 /nfs/dbraw/zinc/74/31/71/450743171.db2.gz YJSZSRNJVNQLFD-UHFFFAOYSA-N 2 2 344.503 1.996 20 0 EDADLP C[N@H+](CCOCC[NH3+])Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000629578228 450745684 /nfs/dbraw/zinc/74/56/84/450745684.db2.gz PBGKCFQKKZITDD-UHFFFAOYSA-N 2 2 348.472 1.731 20 0 EDADLP C[N@@H+](CCOCC[NH3+])Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000629578228 450745690 /nfs/dbraw/zinc/74/56/90/450745690.db2.gz PBGKCFQKKZITDD-UHFFFAOYSA-N 2 2 348.472 1.731 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000633245550 450755090 /nfs/dbraw/zinc/75/50/90/450755090.db2.gz PCAJIBCKSJTRAS-UHFFFAOYSA-N 2 2 346.435 1.477 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000621543122 450764813 /nfs/dbraw/zinc/76/48/13/450764813.db2.gz KBQAQUDWRYXYJN-IRXDYDNUSA-N 2 2 326.444 1.735 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)n1 ZINC000629652614 450771706 /nfs/dbraw/zinc/77/17/06/450771706.db2.gz JUYJVNDLYMLWFC-UHFFFAOYSA-N 2 2 336.779 1.355 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631869413 450836755 /nfs/dbraw/zinc/83/67/55/450836755.db2.gz LBJAWYGNKRCIDX-APWZRJJASA-N 2 2 331.460 1.775 20 0 EDADLP COCCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000624333427 450797964 /nfs/dbraw/zinc/79/79/64/450797964.db2.gz QBBRKWZYQMFSDH-HOCLYGCPSA-N 2 2 338.448 1.438 20 0 EDADLP COCCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1OC ZINC000624333427 450797971 /nfs/dbraw/zinc/79/79/71/450797971.db2.gz QBBRKWZYQMFSDH-HOCLYGCPSA-N 2 2 338.448 1.438 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1)[C@H]1CCC[NH2+]1 ZINC000631822675 450798343 /nfs/dbraw/zinc/79/83/43/450798343.db2.gz KWHAULIPOOMJQM-LSDHHAIUSA-N 2 2 347.463 1.102 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)C1)[C@H]1CCC[NH2+]1 ZINC000631822675 450798351 /nfs/dbraw/zinc/79/83/51/450798351.db2.gz KWHAULIPOOMJQM-LSDHHAIUSA-N 2 2 347.463 1.102 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834525 450804911 /nfs/dbraw/zinc/80/49/11/450804911.db2.gz ZCSYYNDOMWGTMS-ZWKOTPCHSA-N 2 2 344.503 1.927 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834525 450804915 /nfs/dbraw/zinc/80/49/15/450804915.db2.gz ZCSYYNDOMWGTMS-ZWKOTPCHSA-N 2 2 344.503 1.927 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635348857 450872030 /nfs/dbraw/zinc/87/20/30/450872030.db2.gz MONABGKMQLXVFB-ZIAGYGMSSA-N 2 2 326.400 1.935 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635348857 450872034 /nfs/dbraw/zinc/87/20/34/450872034.db2.gz MONABGKMQLXVFB-ZIAGYGMSSA-N 2 2 326.400 1.935 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635351392 450874779 /nfs/dbraw/zinc/87/47/79/450874779.db2.gz OVCRXXJRGUWNKC-HZPDHXFCSA-N 2 2 325.416 1.689 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635351392 450874783 /nfs/dbraw/zinc/87/47/83/450874783.db2.gz OVCRXXJRGUWNKC-HZPDHXFCSA-N 2 2 325.416 1.689 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000633529216 450899744 /nfs/dbraw/zinc/89/97/44/450899744.db2.gz SAHSYQSUELHPCD-DXCKQFNASA-N 2 2 342.447 1.348 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000633529216 450899750 /nfs/dbraw/zinc/89/97/50/450899750.db2.gz SAHSYQSUELHPCD-DXCKQFNASA-N 2 2 342.447 1.348 20 0 EDADLP C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)c2cc(F)ccc2C[NH2+]1 ZINC000631943121 450899975 /nfs/dbraw/zinc/89/99/75/450899975.db2.gz NKHOXNCJWPAPIC-LBPRGKRZSA-N 2 2 329.441 1.405 20 0 EDADLP C[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)c2cc(F)ccc2C[NH2+]1 ZINC000631942901 450900439 /nfs/dbraw/zinc/90/04/39/450900439.db2.gz IRKTVROYKDWNKL-LBPRGKRZSA-N 2 2 341.452 1.548 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635487994 450985065 /nfs/dbraw/zinc/98/50/65/450985065.db2.gz AKWAOVYLQNIKPN-MRXNPFEDSA-N 2 2 331.460 1.681 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635487994 450985071 /nfs/dbraw/zinc/98/50/71/450985071.db2.gz AKWAOVYLQNIKPN-MRXNPFEDSA-N 2 2 331.460 1.681 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C[NH2+]1 ZINC000626925468 451008835 /nfs/dbraw/zinc/00/88/35/451008835.db2.gz MREVHANQQHOTTN-NJAFHUGGSA-N 2 2 346.475 1.500 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000626948245 451027332 /nfs/dbraw/zinc/02/73/32/451027332.db2.gz PYCXDJDPXJLRSA-UHFFFAOYSA-N 2 2 331.420 1.250 20 0 EDADLP CC(C)(O)C[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635533045 451029116 /nfs/dbraw/zinc/02/91/16/451029116.db2.gz QPXBXISJYBYEIR-UHFFFAOYSA-N 2 2 344.415 1.107 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635535078 451031866 /nfs/dbraw/zinc/03/18/66/451031866.db2.gz KORFQWFHRIXZSX-ARFHVFGLSA-N 2 2 331.464 1.142 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635535078 451031869 /nfs/dbraw/zinc/03/18/69/451031869.db2.gz KORFQWFHRIXZSX-ARFHVFGLSA-N 2 2 331.464 1.142 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635535078 451031871 /nfs/dbraw/zinc/03/18/71/451031871.db2.gz KORFQWFHRIXZSX-ARFHVFGLSA-N 2 2 331.464 1.142 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635535078 451031874 /nfs/dbraw/zinc/03/18/74/451031874.db2.gz KORFQWFHRIXZSX-ARFHVFGLSA-N 2 2 331.464 1.142 20 0 EDADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000627001370 451066781 /nfs/dbraw/zinc/06/67/81/451066781.db2.gz FUNYCUZSVAOAPO-NVXWUHKLSA-N 2 2 327.432 1.902 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000632150816 451075369 /nfs/dbraw/zinc/07/53/69/451075369.db2.gz OUTAXJKMFKLFJE-HZPDHXFCSA-N 2 2 337.489 1.445 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000632150816 451075373 /nfs/dbraw/zinc/07/53/73/451075373.db2.gz OUTAXJKMFKLFJE-HZPDHXFCSA-N 2 2 337.489 1.445 20 0 EDADLP CCc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000635551652 451048694 /nfs/dbraw/zinc/04/86/94/451048694.db2.gz MXBOGECYNZDIQE-MRXNPFEDSA-N 2 2 333.480 1.223 20 0 EDADLP CCc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000635551652 451048700 /nfs/dbraw/zinc/04/87/00/451048700.db2.gz MXBOGECYNZDIQE-MRXNPFEDSA-N 2 2 333.480 1.223 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000635617144 451108058 /nfs/dbraw/zinc/10/80/58/451108058.db2.gz ZNOYWICFECUERR-KRWDZBQOSA-N 3 2 336.524 1.395 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000635617144 451108063 /nfs/dbraw/zinc/10/80/63/451108063.db2.gz ZNOYWICFECUERR-KRWDZBQOSA-N 3 2 336.524 1.395 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000627122601 451137186 /nfs/dbraw/zinc/13/71/86/451137186.db2.gz LBDPWPPYQOWOGW-UHFFFAOYSA-N 2 2 333.461 1.812 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[NH2+]1 ZINC000627193784 451179487 /nfs/dbraw/zinc/17/94/87/451179487.db2.gz PQNOEDFAGPLWRB-SJORKVTESA-N 2 2 346.475 1.533 20 0 EDADLP C[C@@]1(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCS1 ZINC000628210405 451182841 /nfs/dbraw/zinc/18/28/41/451182841.db2.gz VXWWZVIIPNPJHB-SFHVURJKSA-N 2 2 348.516 1.996 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628213922 451184940 /nfs/dbraw/zinc/18/49/40/451184940.db2.gz DKJPURQOMPDJTC-AWEZNQCLSA-N 2 2 327.432 1.307 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628213922 451184943 /nfs/dbraw/zinc/18/49/43/451184943.db2.gz DKJPURQOMPDJTC-AWEZNQCLSA-N 2 2 327.432 1.307 20 0 EDADLP C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000635713108 451192133 /nfs/dbraw/zinc/19/21/33/451192133.db2.gz YFTULAQSOZQORC-TUAOUCFPSA-N 2 2 334.342 1.212 20 0 EDADLP C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000635713108 451192139 /nfs/dbraw/zinc/19/21/39/451192139.db2.gz YFTULAQSOZQORC-TUAOUCFPSA-N 2 2 334.342 1.212 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3cc(C4CC4)no3)c2)CC1 ZINC000634193725 451230012 /nfs/dbraw/zinc/23/00/12/451230012.db2.gz GKEVQSPWEDTNKI-UHFFFAOYSA-N 2 2 341.415 1.880 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635715095 451194256 /nfs/dbraw/zinc/19/42/56/451194256.db2.gz SNRWUWQZMDQJTL-CQSZACIVSA-N 2 2 344.415 1.107 20 0 EDADLP C[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@H]1CCCO1 ZINC000634194145 451230396 /nfs/dbraw/zinc/23/03/96/451230396.db2.gz LKSRTLPNGUHKSP-GOEBONIOSA-N 2 2 332.448 1.977 20 0 EDADLP C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1cccnc1 ZINC000634195541 451232258 /nfs/dbraw/zinc/23/22/58/451232258.db2.gz CNSUQSTUZCNDMJ-CQSZACIVSA-N 2 2 325.416 1.971 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCC3CCOCC3)c2)CC1 ZINC000634196420 451233777 /nfs/dbraw/zinc/23/37/77/451233777.db2.gz VXCVNPGNYGZRDD-UHFFFAOYSA-N 2 2 332.448 1.979 20 0 EDADLP Cc1cc(C)n(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000634197809 451234259 /nfs/dbraw/zinc/23/42/59/451234259.db2.gz LBIWLHUPALFQKX-UHFFFAOYSA-N 2 2 328.420 1.285 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)c1c(F)cccc1F ZINC000638118981 451285787 /nfs/dbraw/zinc/28/57/87/451285787.db2.gz GEUYKCYBGDVVCG-RHSMWYFYSA-N 2 2 341.402 1.439 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000638100751 451266876 /nfs/dbraw/zinc/26/68/76/451266876.db2.gz NMJTYHARXYVQPF-FNHZYXHNSA-N 2 2 347.459 1.785 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638102285 451268647 /nfs/dbraw/zinc/26/86/47/451268647.db2.gz SKQXBEOTMSRJEL-CYBMUJFWSA-N 2 2 334.342 1.159 20 0 EDADLP [NH3+]C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCCOC1 ZINC000638105573 451273844 /nfs/dbraw/zinc/27/38/44/451273844.db2.gz VKYKTMHRKDEHCL-IBGZPJMESA-N 2 2 346.475 1.834 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)n1cc[nH+]c1 ZINC000635829947 451277853 /nfs/dbraw/zinc/27/78/53/451277853.db2.gz LESALRJYPMYYHV-HZPDHXFCSA-N 2 2 336.480 1.774 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)n1cc[nH+]c1 ZINC000635829947 451277860 /nfs/dbraw/zinc/27/78/60/451277860.db2.gz LESALRJYPMYYHV-HZPDHXFCSA-N 2 2 336.480 1.774 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114448 451283385 /nfs/dbraw/zinc/28/33/85/451283385.db2.gz JMEAHYFEXPNFPM-WBMJQRKESA-N 2 2 343.468 1.635 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114448 451283389 /nfs/dbraw/zinc/28/33/89/451283389.db2.gz JMEAHYFEXPNFPM-WBMJQRKESA-N 2 2 343.468 1.635 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114448 451283395 /nfs/dbraw/zinc/28/33/95/451283395.db2.gz JMEAHYFEXPNFPM-WBMJQRKESA-N 2 2 343.468 1.635 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114448 451283398 /nfs/dbraw/zinc/28/33/98/451283398.db2.gz JMEAHYFEXPNFPM-WBMJQRKESA-N 2 2 343.468 1.635 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000638139587 451314934 /nfs/dbraw/zinc/31/49/34/451314934.db2.gz MSKLFAKVOFZOFT-KRWDZBQOSA-N 3 2 338.540 1.816 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638139621 451315342 /nfs/dbraw/zinc/31/53/42/451315342.db2.gz NSGLBANBHVZZKW-MAUKXSAKSA-N 2 2 332.448 1.042 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)NCCCCn3cc[nH+]c3)cn2)CC1 ZINC000636621476 451359131 /nfs/dbraw/zinc/35/91/31/451359131.db2.gz OVZGJCAIFJNWRV-UHFFFAOYSA-N 2 2 345.451 1.948 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]3CCOCC3)C1(C)C)CC2 ZINC000640510878 451362231 /nfs/dbraw/zinc/36/22/31/451362231.db2.gz RBIURIHZMUGOPI-BZUAXINKSA-N 2 2 346.475 1.369 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[C@@]2(O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000640479091 451338945 /nfs/dbraw/zinc/33/89/45/451338945.db2.gz CTUFMPKXVXFXHD-CRAIPNDOSA-N 2 2 347.484 1.241 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000640479091 451338948 /nfs/dbraw/zinc/33/89/48/451338948.db2.gz CTUFMPKXVXFXHD-CRAIPNDOSA-N 2 2 347.484 1.241 20 0 EDADLP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000638181683 451343007 /nfs/dbraw/zinc/34/30/07/451343007.db2.gz IRFJMCSXIQDMBX-HKUYNNGSSA-N 2 2 334.460 1.600 20 0 EDADLP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000638181683 451343014 /nfs/dbraw/zinc/34/30/14/451343014.db2.gz IRFJMCSXIQDMBX-HKUYNNGSSA-N 2 2 334.460 1.600 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000628753831 451398040 /nfs/dbraw/zinc/39/80/40/451398040.db2.gz ZZJQRZUTVDJDON-WMZOPIPTSA-N 2 2 339.524 1.972 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000628753831 451398043 /nfs/dbraw/zinc/39/80/43/451398043.db2.gz ZZJQRZUTVDJDON-WMZOPIPTSA-N 2 2 339.524 1.972 20 0 EDADLP CCN1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000640552306 451400514 /nfs/dbraw/zinc/40/05/14/451400514.db2.gz GSQBZRSSHJXOEI-YOEHRIQHSA-N 2 2 334.468 1.188 20 0 EDADLP O=C(N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000628773692 451409193 /nfs/dbraw/zinc/40/91/93/451409193.db2.gz MOZIEOJNTTWBKE-HOTGVXAUSA-N 2 2 343.406 1.144 20 0 EDADLP O=C(N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000628773692 451409197 /nfs/dbraw/zinc/40/91/97/451409197.db2.gz MOZIEOJNTTWBKE-HOTGVXAUSA-N 2 2 343.406 1.144 20 0 EDADLP C[C@H](C(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000628774581 451409618 /nfs/dbraw/zinc/40/96/18/451409618.db2.gz TYUTWWQSEDOWEO-CJNGLKHVSA-N 2 2 345.422 1.390 20 0 EDADLP CC[C@@H](C)[C@@H](C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)OC ZINC000638353446 451453919 /nfs/dbraw/zinc/45/39/19/451453919.db2.gz VBJFHCZMXSJIAQ-IAGOWNOFSA-N 2 2 335.496 1.639 20 0 EDADLP COc1ncc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000638354161 451455386 /nfs/dbraw/zinc/45/53/86/451455386.db2.gz IHRJPVJQSJHHKV-OAHLLOKOSA-N 2 2 333.457 1.661 20 0 EDADLP COc1ncc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000638354161 451455393 /nfs/dbraw/zinc/45/53/93/451455393.db2.gz IHRJPVJQSJHHKV-OAHLLOKOSA-N 2 2 333.457 1.661 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000630879461 451457536 /nfs/dbraw/zinc/45/75/36/451457536.db2.gz LMNQFSSFKJOCKM-UHFFFAOYSA-N 2 2 342.443 1.642 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000630879461 451457542 /nfs/dbraw/zinc/45/75/42/451457542.db2.gz LMNQFSSFKJOCKM-UHFFFAOYSA-N 2 2 342.443 1.642 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccnc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000640615427 451462989 /nfs/dbraw/zinc/46/29/89/451462989.db2.gz QRVGRDBQKKZEOY-GASCZTMLSA-N 2 2 349.479 1.716 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccnc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000640615427 451462996 /nfs/dbraw/zinc/46/29/96/451462996.db2.gz QRVGRDBQKKZEOY-GASCZTMLSA-N 2 2 349.479 1.716 20 0 EDADLP CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640625676 451473720 /nfs/dbraw/zinc/47/37/20/451473720.db2.gz IXVYOZAOILSIET-UHFFFAOYSA-N 2 2 336.484 1.148 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)CC1(O)CCOCC1 ZINC000634704262 451480454 /nfs/dbraw/zinc/48/04/54/451480454.db2.gz IUBGTXVKPKKQAY-RTBURBONSA-N 2 2 348.487 1.533 20 0 EDADLP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2COCC[NH+]2C)cc1 ZINC000628918894 451480530 /nfs/dbraw/zinc/48/05/30/451480530.db2.gz DOLOOQLSRNIENL-SFHVURJKSA-N 2 2 333.476 1.979 20 0 EDADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2COCC[NH+]2C)cc1 ZINC000628918894 451480536 /nfs/dbraw/zinc/48/05/36/451480536.db2.gz DOLOOQLSRNIENL-SFHVURJKSA-N 2 2 333.476 1.979 20 0 EDADLP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000628918894 451480539 /nfs/dbraw/zinc/48/05/39/451480539.db2.gz DOLOOQLSRNIENL-SFHVURJKSA-N 2 2 333.476 1.979 20 0 EDADLP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000628918894 451480545 /nfs/dbraw/zinc/48/05/45/451480545.db2.gz DOLOOQLSRNIENL-SFHVURJKSA-N 2 2 333.476 1.979 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)CC1(O)CCOCC1 ZINC000634704262 451480459 /nfs/dbraw/zinc/48/04/59/451480459.db2.gz IUBGTXVKPKKQAY-RTBURBONSA-N 2 2 348.487 1.533 20 0 EDADLP CC(C)(C)N1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634706469 451483431 /nfs/dbraw/zinc/48/34/31/451483431.db2.gz PPRYFLCZNLVGSQ-XLIONFOSSA-N 2 2 345.487 1.612 20 0 EDADLP CC(C)(C)N1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634706469 451483437 /nfs/dbraw/zinc/48/34/37/451483437.db2.gz PPRYFLCZNLVGSQ-XLIONFOSSA-N 2 2 345.487 1.612 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC([C@H]3CCC[NH2+]C3)CC1)CC2 ZINC000638401838 451490768 /nfs/dbraw/zinc/49/07/68/451490768.db2.gz HONQLUATRFUQIB-SJORKVTESA-N 2 2 330.476 1.992 20 0 EDADLP CN(C)c1cc(NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cc[nH+]1 ZINC000640599393 451443773 /nfs/dbraw/zinc/44/37/73/451443773.db2.gz GMFPOMUIISLTCZ-CQSZACIVSA-N 2 2 346.435 1.762 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccccn4)CC3)CC2)CC1 ZINC000630862076 451445565 /nfs/dbraw/zinc/44/55/65/451445565.db2.gz CAFGHPKMAISHOI-UHFFFAOYSA-N 2 2 342.487 1.788 20 0 EDADLP OCc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719822 451500063 /nfs/dbraw/zinc/50/00/63/451500063.db2.gz ZXQNBQDZNFRVRY-HXUWFJFHSA-N 2 2 326.440 1.906 20 0 EDADLP OCc1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719822 451500066 /nfs/dbraw/zinc/50/00/66/451500066.db2.gz ZXQNBQDZNFRVRY-HXUWFJFHSA-N 2 2 326.440 1.906 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638439586 451517560 /nfs/dbraw/zinc/51/75/60/451517560.db2.gz HPGWTHQSKIQVFH-UHFFFAOYSA-N 2 2 334.370 1.377 20 0 EDADLP C[NH+]1CCC([NH+]2CCC([NH2+]CC(C)(C)N3CCOCC3)CC2)CC1 ZINC000638460510 451527412 /nfs/dbraw/zinc/52/74/12/451527412.db2.gz YHGXEHRLNQOZOV-UHFFFAOYSA-N 3 2 338.540 1.245 20 0 EDADLP COc1cc(C[C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccn1 ZINC000638482367 451535966 /nfs/dbraw/zinc/53/59/66/451535966.db2.gz RACRWWHRFPXVHP-RDJZCZTQSA-N 2 2 348.491 1.554 20 0 EDADLP COc1cc(C[C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccn1 ZINC000638482367 451535973 /nfs/dbraw/zinc/53/59/73/451535973.db2.gz RACRWWHRFPXVHP-RDJZCZTQSA-N 2 2 348.491 1.554 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000636139605 451542151 /nfs/dbraw/zinc/54/21/51/451542151.db2.gz PFHKBSRSUQHXOO-JZXOWHBKSA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000636139605 451542156 /nfs/dbraw/zinc/54/21/56/451542156.db2.gz PFHKBSRSUQHXOO-JZXOWHBKSA-N 2 2 331.460 1.726 20 0 EDADLP C[N@H+](CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccccc1 ZINC000631035511 451544465 /nfs/dbraw/zinc/54/44/65/451544465.db2.gz JWEAXZKCKRMDGJ-GOSISDBHSA-N 2 2 343.475 1.926 20 0 EDADLP C[N@@H+](CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccccc1 ZINC000631035511 451544468 /nfs/dbraw/zinc/54/44/68/451544468.db2.gz JWEAXZKCKRMDGJ-GOSISDBHSA-N 2 2 343.475 1.926 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000636145359 451546720 /nfs/dbraw/zinc/54/67/20/451546720.db2.gz ZGRXTZKAFLWSFG-AWEZNQCLSA-N 2 2 333.436 1.616 20 0 EDADLP COc1cncc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1C ZINC000631059202 451560131 /nfs/dbraw/zinc/56/01/31/451560131.db2.gz JWWLVHYUSJFQCL-INIZCTEOSA-N 2 2 334.464 1.431 20 0 EDADLP COc1cncc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1C ZINC000631059202 451560134 /nfs/dbraw/zinc/56/01/34/451560134.db2.gz JWWLVHYUSJFQCL-INIZCTEOSA-N 2 2 334.464 1.431 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000631060082 451562206 /nfs/dbraw/zinc/56/22/06/451562206.db2.gz CPQREEFKONHWDL-UHFFFAOYSA-N 2 2 344.463 1.440 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC4(CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000634810427 451565102 /nfs/dbraw/zinc/56/51/02/451565102.db2.gz XGSUZZOOYSFMHI-GJZGRUSLSA-N 2 2 331.464 1.264 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC4(CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000634810427 451565109 /nfs/dbraw/zinc/56/51/09/451565109.db2.gz XGSUZZOOYSFMHI-GJZGRUSLSA-N 2 2 331.464 1.264 20 0 EDADLP CC(C)[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631069423 451567026 /nfs/dbraw/zinc/56/70/26/451567026.db2.gz BYLXXSROWUXBSR-LJQANCHMSA-N 2 2 336.476 1.894 20 0 EDADLP C[C@H](C[NH2+]Cc1ccncc1Br)C[NH+]1CCOCC1 ZINC000631075095 451569423 /nfs/dbraw/zinc/56/94/23/451569423.db2.gz AOPGQADLOQMQLU-GFCCVEGCSA-N 2 2 328.254 1.902 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000634962210 451625953 /nfs/dbraw/zinc/62/59/53/451625953.db2.gz NQNKMDGTDLELOR-ULQDDVLXSA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCS(=O)(=O)CC2)[C@@H](C)C1 ZINC000634962210 451625956 /nfs/dbraw/zinc/62/59/56/451625956.db2.gz NQNKMDGTDLELOR-ULQDDVLXSA-N 2 2 346.537 1.680 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000632921995 451652838 /nfs/dbraw/zinc/65/28/38/451652838.db2.gz FDZLIZCKHWARRQ-TZMCWYRMSA-N 2 2 333.436 1.285 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cccc(F)c2F)CC1 ZINC000636988522 451663430 /nfs/dbraw/zinc/66/34/30/451663430.db2.gz VZCVVGWOMIMKKC-UHFFFAOYSA-N 2 2 340.418 1.790 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3-c3ccco3)C2)CC1 ZINC000631259304 451667080 /nfs/dbraw/zinc/66/70/80/451667080.db2.gz PHEPJYQSTBVVFG-ZDUSSCGKSA-N 2 2 343.431 1.568 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]nc3-c3ccco3)C2)CC1 ZINC000631259304 451667085 /nfs/dbraw/zinc/66/70/85/451667085.db2.gz PHEPJYQSTBVVFG-ZDUSSCGKSA-N 2 2 343.431 1.568 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H](c2nccn2C)C2CC2)C1=O ZINC000638979716 451744810 /nfs/dbraw/zinc/74/48/10/451744810.db2.gz GOHRXCKCUBLMGO-GOEBONIOSA-N 2 2 342.447 1.386 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1scc2c1OCCO2 ZINC000638985455 451746206 /nfs/dbraw/zinc/74/62/06/451746206.db2.gz HVIGIAWRZYZRSM-UHFFFAOYSA-N 2 2 346.412 1.576 20 0 EDADLP CC(C)(C)n1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000638985179 451746689 /nfs/dbraw/zinc/74/66/89/451746689.db2.gz BKGRELZUWKHJLE-UHFFFAOYSA-N 2 2 328.420 1.695 20 0 EDADLP Cc1nnc2ccc(C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)cn12 ZINC000638986416 451747343 /nfs/dbraw/zinc/74/73/43/451747343.db2.gz NLAPGVRDVNOSLP-UHFFFAOYSA-N 2 2 337.387 1.095 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000638989411 451748569 /nfs/dbraw/zinc/74/85/69/451748569.db2.gz RCRPMFDIBOHJJZ-QAPCUYQASA-N 2 2 346.500 1.641 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639081039 451764146 /nfs/dbraw/zinc/76/41/46/451764146.db2.gz PFVOKIUBIHPXAT-GFCCVEGCSA-N 2 2 347.492 1.021 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639081039 451764148 /nfs/dbraw/zinc/76/41/48/451764148.db2.gz PFVOKIUBIHPXAT-GFCCVEGCSA-N 2 2 347.492 1.021 20 0 EDADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000639210180 451792019 /nfs/dbraw/zinc/79/20/19/451792019.db2.gz CCQDAFYVQAWFNM-ZYSHUDEJSA-N 2 2 345.487 1.443 20 0 EDADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000639210180 451792020 /nfs/dbraw/zinc/79/20/20/451792020.db2.gz CCQDAFYVQAWFNM-ZYSHUDEJSA-N 2 2 345.487 1.443 20 0 EDADLP O=C(NCC[NH2+]C1CC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000637339950 451794089 /nfs/dbraw/zinc/79/40/89/451794089.db2.gz MOUBEDBGQXFMBB-UHFFFAOYSA-N 2 2 336.867 1.919 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000641261834 451797425 /nfs/dbraw/zinc/79/74/25/451797425.db2.gz VLWRNUNRDVNSKJ-UHFFFAOYSA-N 2 2 348.472 1.599 20 0 EDADLP CC(C)[NH+]1CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC1 ZINC000641270921 451800689 /nfs/dbraw/zinc/80/06/89/451800689.db2.gz SYMZIHOTPQANPF-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP CC(C)[NH+]1CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC1 ZINC000641270921 451800690 /nfs/dbraw/zinc/80/06/90/451800690.db2.gz SYMZIHOTPQANPF-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641278927 451803373 /nfs/dbraw/zinc/80/33/73/451803373.db2.gz LHVWTCGJZWCGHK-HOTGVXAUSA-N 2 2 342.509 1.561 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641278929 451803454 /nfs/dbraw/zinc/80/34/54/451803454.db2.gz LHVWTCGJZWCGHK-IYBDPMFKSA-N 2 2 342.509 1.561 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641278929 451803457 /nfs/dbraw/zinc/80/34/57/451803457.db2.gz LHVWTCGJZWCGHK-IYBDPMFKSA-N 2 2 342.509 1.561 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000653298684 451827451 /nfs/dbraw/zinc/82/74/51/451827451.db2.gz BMVIMOABSMVSHX-HOCLYGCPSA-N 2 2 335.448 1.140 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000653298684 451827459 /nfs/dbraw/zinc/82/74/59/451827459.db2.gz BMVIMOABSMVSHX-HOCLYGCPSA-N 2 2 335.448 1.140 20 0 EDADLP C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@H]1C[NH3+] ZINC000646772714 451831030 /nfs/dbraw/zinc/83/10/30/451831030.db2.gz VRPZXBQPRWPYDH-ZBFHGGJFSA-N 2 2 333.480 1.218 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644519883 451837961 /nfs/dbraw/zinc/83/79/61/451837961.db2.gz STKZIRNCABQGRD-SJLPKXTDSA-N 2 2 328.460 1.880 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644519883 451837970 /nfs/dbraw/zinc/83/79/70/451837970.db2.gz STKZIRNCABQGRD-SJLPKXTDSA-N 2 2 328.460 1.880 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646796044 451845284 /nfs/dbraw/zinc/84/52/84/451845284.db2.gz HVYQNZFKJZFCGJ-IBGZPJMESA-N 2 2 345.487 1.657 20 0 EDADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641325851 451850291 /nfs/dbraw/zinc/85/02/91/451850291.db2.gz JFBBWPGYBKZNOV-OAHLLOKOSA-N 2 2 342.509 1.703 20 0 EDADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641325851 451850293 /nfs/dbraw/zinc/85/02/93/451850293.db2.gz JFBBWPGYBKZNOV-OAHLLOKOSA-N 2 2 342.509 1.703 20 0 EDADLP CCNC(=O)c1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc2ccccc21 ZINC000653346987 451858289 /nfs/dbraw/zinc/85/82/89/451858289.db2.gz OPHVSGVWXSNQKU-CQSZACIVSA-N 2 2 343.431 1.202 20 0 EDADLP c1ccc([C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457487 451877999 /nfs/dbraw/zinc/87/79/99/451877999.db2.gz UBJRSQYOANKRPE-ALGQRKQJSA-N 4 2 340.515 1.073 20 0 EDADLP c1ccc([C@H](C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457487 451878003 /nfs/dbraw/zinc/87/80/03/451878003.db2.gz UBJRSQYOANKRPE-ALGQRKQJSA-N 4 2 340.515 1.073 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000644589377 451880555 /nfs/dbraw/zinc/88/05/55/451880555.db2.gz WYXCPNDCTASGJV-IRWQIABSSA-N 2 2 347.459 1.457 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000644589377 451880557 /nfs/dbraw/zinc/88/05/57/451880557.db2.gz WYXCPNDCTASGJV-IRWQIABSSA-N 2 2 347.459 1.457 20 0 EDADLP C[C@H]1C[C@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[N@@H+]1C1CC1 ZINC000641376435 451910384 /nfs/dbraw/zinc/91/03/84/451910384.db2.gz XMOUDXUQQGNFIV-ZFWWWQNUSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@H]1C[C@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[N@H+]1C1CC1 ZINC000641376435 451910385 /nfs/dbraw/zinc/91/03/85/451910385.db2.gz XMOUDXUQQGNFIV-ZFWWWQNUSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@H]1C[C@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[NH+]1C1CC1 ZINC000641376435 451910390 /nfs/dbraw/zinc/91/03/90/451910390.db2.gz XMOUDXUQQGNFIV-ZFWWWQNUSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@H]1C[C@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[NH+]1C1CC1 ZINC000641376435 451910393 /nfs/dbraw/zinc/91/03/93/451910393.db2.gz XMOUDXUQQGNFIV-ZFWWWQNUSA-N 2 2 349.500 1.578 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649272874 451944502 /nfs/dbraw/zinc/94/45/02/451944502.db2.gz LXNGEQWDUSUJIU-BPQIPLTHSA-N 3 2 341.459 1.045 20 0 EDADLP Cc1ncc(CNC(=O)CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000639563900 451947197 /nfs/dbraw/zinc/94/71/97/451947197.db2.gz CTHYJRGGKABGRW-ZDUSSCGKSA-N 2 2 333.461 1.681 20 0 EDADLP Cc1ncc(CNC(=O)CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000639563900 451947205 /nfs/dbraw/zinc/94/72/05/451947205.db2.gz CTHYJRGGKABGRW-ZDUSSCGKSA-N 2 2 333.461 1.681 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)Cc2ccccc2C1 ZINC000649281956 451953905 /nfs/dbraw/zinc/95/39/05/451953905.db2.gz XRJSAOQUQYSVEK-UHFFFAOYSA-N 2 2 341.480 1.889 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)[C@H]2CCC[NH2+]2)c2[nH+]ccn2C)c1 ZINC000649283223 451956151 /nfs/dbraw/zinc/95/61/51/451956151.db2.gz YTURSFLCBPTWGJ-CVEARBPZSA-N 2 2 344.415 1.395 20 0 EDADLP OC[C@@H]1C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCC1(F)F ZINC000639651168 451999851 /nfs/dbraw/zinc/99/98/51/451999851.db2.gz POCURFCMNVLPCL-IRXDYDNUSA-N 2 2 340.414 1.573 20 0 EDADLP OC[C@@H]1C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCC1(F)F ZINC000639651168 451999858 /nfs/dbraw/zinc/99/98/58/451999858.db2.gz POCURFCMNVLPCL-IRXDYDNUSA-N 2 2 340.414 1.573 20 0 EDADLP OC[C@@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639651168 451999865 /nfs/dbraw/zinc/99/98/65/451999865.db2.gz POCURFCMNVLPCL-IRXDYDNUSA-N 2 2 340.414 1.573 20 0 EDADLP OC[C@@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639651168 451999870 /nfs/dbraw/zinc/99/98/70/451999870.db2.gz POCURFCMNVLPCL-IRXDYDNUSA-N 2 2 340.414 1.573 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649320802 451999930 /nfs/dbraw/zinc/99/99/30/451999930.db2.gz AGPCLEYKGFDTAD-WMZOPIPTSA-N 2 2 345.487 1.734 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649334092 452014525 /nfs/dbraw/zinc/01/45/25/452014525.db2.gz IAKCHHCYOCNDAH-QGZVFWFLSA-N 3 2 344.503 1.347 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649334092 452014530 /nfs/dbraw/zinc/01/45/30/452014530.db2.gz IAKCHHCYOCNDAH-QGZVFWFLSA-N 3 2 344.503 1.347 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000643044208 452024813 /nfs/dbraw/zinc/02/48/13/452024813.db2.gz PBWVEWNAEAQZSR-HZPDHXFCSA-N 2 2 331.464 1.529 20 0 EDADLP c1nc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(N2CCOCC2)[nH+]1 ZINC000643044208 452024817 /nfs/dbraw/zinc/02/48/17/452024817.db2.gz PBWVEWNAEAQZSR-HZPDHXFCSA-N 2 2 331.464 1.529 20 0 EDADLP c1c2cnccc2oc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000651710893 452028367 /nfs/dbraw/zinc/02/83/67/452028367.db2.gz SBQFUGBQOQFSNQ-MRXNPFEDSA-N 2 2 330.432 1.324 20 0 EDADLP CNC(=O)c1cc(O[C@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)ccn1 ZINC000639701708 452037797 /nfs/dbraw/zinc/03/77/97/452037797.db2.gz IJPUHMDOXLMYBL-INIZCTEOSA-N 2 2 343.431 1.261 20 0 EDADLP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)ccn1 ZINC000639701708 452037800 /nfs/dbraw/zinc/03/78/00/452037800.db2.gz IJPUHMDOXLMYBL-INIZCTEOSA-N 2 2 343.431 1.261 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)o1 ZINC000647090601 452055348 /nfs/dbraw/zinc/05/53/48/452055348.db2.gz AOSMRDDGLXHGBR-UHFFFAOYSA-N 3 2 342.443 1.462 20 0 EDADLP CC1(C)C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649409952 452074323 /nfs/dbraw/zinc/07/43/23/452074323.db2.gz DCGDBBCPSOOENS-UHFFFAOYSA-N 2 2 336.505 1.076 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(C(F)F)n[nH]3)C2)CC1 ZINC000639733707 452078839 /nfs/dbraw/zinc/07/88/39/452078839.db2.gz QONWKWJMLVCCBI-JTQLQIEISA-N 2 2 327.379 1.246 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(C(F)F)n[nH]3)C2)CC1 ZINC000639733707 452078840 /nfs/dbraw/zinc/07/88/40/452078840.db2.gz QONWKWJMLVCCBI-JTQLQIEISA-N 2 2 327.379 1.246 20 0 EDADLP c1ncn([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000643252240 452097329 /nfs/dbraw/zinc/09/73/29/452097329.db2.gz YWJKJOJJWCRLKK-GOSISDBHSA-N 2 2 327.432 1.557 20 0 EDADLP c1ncn([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000643252240 452097332 /nfs/dbraw/zinc/09/73/32/452097332.db2.gz YWJKJOJJWCRLKK-GOSISDBHSA-N 2 2 327.432 1.557 20 0 EDADLP CCN1C[C@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1=O ZINC000649478150 452101452 /nfs/dbraw/zinc/10/14/52/452101452.db2.gz VQSDKZGWVWCFDF-LBPRGKRZSA-N 2 2 337.387 1.491 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762512 452102633 /nfs/dbraw/zinc/10/26/33/452102633.db2.gz MVMKZSIGKLKDBP-GJGATLCTSA-N 2 2 339.524 1.704 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762512 452102638 /nfs/dbraw/zinc/10/26/38/452102638.db2.gz MVMKZSIGKLKDBP-GJGATLCTSA-N 2 2 339.524 1.704 20 0 EDADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762758 452102682 /nfs/dbraw/zinc/10/26/82/452102682.db2.gz ODHHFGUYVKWYOA-CSKOPFHVSA-N 2 2 325.497 1.458 20 0 EDADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762758 452102683 /nfs/dbraw/zinc/10/26/83/452102683.db2.gz ODHHFGUYVKWYOA-CSKOPFHVSA-N 2 2 325.497 1.458 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000647172713 452104641 /nfs/dbraw/zinc/10/46/41/452104641.db2.gz FUQYDODAUDYYDS-UHFFFAOYSA-N 2 2 341.452 1.437 20 0 EDADLP Cc1cccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1Br ZINC000637863415 452119696 /nfs/dbraw/zinc/11/96/96/452119696.db2.gz BLKHDRNPUSJEKC-CYBMUJFWSA-N 2 2 340.265 1.401 20 0 EDADLP Cc1cccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1Br ZINC000637863415 452119701 /nfs/dbraw/zinc/11/97/01/452119701.db2.gz BLKHDRNPUSJEKC-CYBMUJFWSA-N 2 2 340.265 1.401 20 0 EDADLP CCC[C@H](C)[C@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000651894166 452150295 /nfs/dbraw/zinc/15/02/95/452150295.db2.gz UICBOZIHINCUEB-WMZOPIPTSA-N 2 2 327.513 1.170 20 0 EDADLP CCC[C@H](C)[C@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000651894166 452150301 /nfs/dbraw/zinc/15/03/01/452150301.db2.gz UICBOZIHINCUEB-WMZOPIPTSA-N 2 2 327.513 1.170 20 0 EDADLP Nc1nc(NCc2ccc(N3CCOCC3)[nH+]c2)c2c([nH+]1)CCCC2 ZINC000645106321 452154544 /nfs/dbraw/zinc/15/45/44/452154544.db2.gz NIXUDHBQTMMXCG-UHFFFAOYSA-N 2 2 340.431 1.203 20 0 EDADLP CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000649715727 452210621 /nfs/dbraw/zinc/21/06/21/452210621.db2.gz KOIKPBUZUHTYOU-INIZCTEOSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000649715727 452210627 /nfs/dbraw/zinc/21/06/27/452210627.db2.gz KOIKPBUZUHTYOU-INIZCTEOSA-N 2 2 325.497 1.865 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000645221412 452217821 /nfs/dbraw/zinc/21/78/21/452217821.db2.gz MGEMSFMSJUGZFU-UHFFFAOYSA-N 2 2 347.459 1.026 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000641776309 452247496 /nfs/dbraw/zinc/24/74/96/452247496.db2.gz YCDIQKWBIRGTOS-UHFFFAOYSA-N 2 2 347.431 1.401 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000641786369 452260466 /nfs/dbraw/zinc/26/04/66/452260466.db2.gz PTGUNJGPQNUFHH-OKYOBFRVSA-N 2 2 349.519 1.330 20 0 EDADLP CCCC[C@H](COC)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786623 452261004 /nfs/dbraw/zinc/26/10/04/452261004.db2.gz LWFMFFXXPKQNKY-ZWKOTPCHSA-N 2 2 327.513 1.578 20 0 EDADLP O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657461160 452260933 /nfs/dbraw/zinc/26/09/33/452260933.db2.gz DKUBPHKMBNSVQF-HNNXBMFYSA-N 2 2 340.427 1.599 20 0 EDADLP FCC1(CF)CC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000641788309 452264095 /nfs/dbraw/zinc/26/40/95/452264095.db2.gz YAHXVVSBVPWSBJ-HNNXBMFYSA-N 2 2 331.451 1.460 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000641788913 452266131 /nfs/dbraw/zinc/26/61/31/452266131.db2.gz WEZKADDFADNESR-FHWLQOOXSA-N 3 2 338.540 1.103 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000643500887 452270599 /nfs/dbraw/zinc/27/05/99/452270599.db2.gz FZWWTCJAJIOMDI-DZGCQCFKSA-N 2 2 325.478 1.730 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)c1ccc(F)cc1 ZINC000659428607 452271348 /nfs/dbraw/zinc/27/13/48/452271348.db2.gz CDDNWRDEAUOWEO-HBSPSFQMSA-N 2 2 343.406 1.781 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)cs2)c1C ZINC000641803858 452279984 /nfs/dbraw/zinc/27/99/84/452279984.db2.gz VMGXWAUDHABKDB-QWHCGFSZSA-N 2 2 347.488 1.736 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000641808016 452288276 /nfs/dbraw/zinc/28/82/76/452288276.db2.gz XGCQMOVGKXSXEN-KGLIPLIRSA-N 2 2 330.432 1.466 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568893 452300679 /nfs/dbraw/zinc/30/06/79/452300679.db2.gz WKSDEVNXMGIXRW-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568893 452300688 /nfs/dbraw/zinc/30/06/88/452300688.db2.gz WKSDEVNXMGIXRW-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000647568893 452300697 /nfs/dbraw/zinc/30/06/97/452300697.db2.gz WKSDEVNXMGIXRW-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568893 452300708 /nfs/dbraw/zinc/30/07/08/452300708.db2.gz WKSDEVNXMGIXRW-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000643537429 452300998 /nfs/dbraw/zinc/30/09/98/452300998.db2.gz HXIKSXDKFIWMSE-SNPRPXQTSA-N 2 2 341.452 1.577 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)c1c(F)cccc1F ZINC000659456916 452308534 /nfs/dbraw/zinc/30/85/34/452308534.db2.gz TXPVQHSRWMRBFU-CHHLVHLRSA-N 2 2 338.402 1.619 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000641941860 452349255 /nfs/dbraw/zinc/34/92/55/452349255.db2.gz SLEWGJXPCBJZLO-CABCVRRESA-N 2 2 334.464 1.567 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647629707 452364786 /nfs/dbraw/zinc/36/47/86/452364786.db2.gz WQCWPIICHDYKBJ-ZBFHGGJFSA-N 2 2 329.379 1.526 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000638064359 452365130 /nfs/dbraw/zinc/36/51/30/452365130.db2.gz KZFZYADSJBCYSX-UHFFFAOYSA-N 2 2 330.388 1.208 20 0 EDADLP CC(C)(C)n1nnc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000657596574 452365784 /nfs/dbraw/zinc/36/57/84/452365784.db2.gz OLGHNTZSONVRDT-INIZCTEOSA-N 2 2 344.463 1.285 20 0 EDADLP CC(C)(C)n1nnc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)n1 ZINC000657596574 452365790 /nfs/dbraw/zinc/36/57/90/452365790.db2.gz OLGHNTZSONVRDT-INIZCTEOSA-N 2 2 344.463 1.285 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638075774 452387074 /nfs/dbraw/zinc/38/70/74/452387074.db2.gz HTPMIMVISBZPDB-LLVKDONJSA-N 2 2 338.253 1.875 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn3cc(Br)cnc23)C1 ZINC000638075774 452387084 /nfs/dbraw/zinc/38/70/84/452387084.db2.gz HTPMIMVISBZPDB-LLVKDONJSA-N 2 2 338.253 1.875 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638075434 452387732 /nfs/dbraw/zinc/38/77/32/452387732.db2.gz RKDKDESKBMXIJT-MAUKXSAKSA-N 2 2 343.475 1.403 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2[nH+]1 ZINC000657620159 452394237 /nfs/dbraw/zinc/39/42/37/452394237.db2.gz KLALRQHJAWCITD-HNNXBMFYSA-N 2 2 341.415 1.278 20 0 EDADLP COc1cncc(/C=C/CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640051173 452395238 /nfs/dbraw/zinc/39/52/38/452395238.db2.gz KHWUAFHRSHPCIK-GQCTYLIASA-N 2 2 332.448 1.199 20 0 EDADLP Cn1nnc2c1ncnc2NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000663669015 452407311 /nfs/dbraw/zinc/40/73/11/452407311.db2.gz UZRKEOKLFVGWOQ-UHFFFAOYSA-N 2 2 344.467 1.121 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)C1 ZINC000663673113 452409758 /nfs/dbraw/zinc/40/97/58/452409758.db2.gz FIBOWMPWIHQOEZ-GFCCVEGCSA-N 2 2 331.468 1.942 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)C1 ZINC000663673113 452409770 /nfs/dbraw/zinc/40/97/70/452409770.db2.gz FIBOWMPWIHQOEZ-GFCCVEGCSA-N 2 2 331.468 1.942 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)o1 ZINC000645475783 452448218 /nfs/dbraw/zinc/44/82/18/452448218.db2.gz HFDZAAMLJIFXNA-UHFFFAOYSA-N 2 2 346.406 1.429 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@H]21 ZINC000663720249 452457538 /nfs/dbraw/zinc/45/75/38/452457538.db2.gz HLJZEHVOTGBVNL-HZPDHXFCSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@H]21 ZINC000663720249 452457543 /nfs/dbraw/zinc/45/75/43/452457543.db2.gz HLJZEHVOTGBVNL-HZPDHXFCSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@H]21 ZINC000663720249 452457550 /nfs/dbraw/zinc/45/75/50/452457550.db2.gz HLJZEHVOTGBVNL-HZPDHXFCSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@H]21 ZINC000663720249 452457555 /nfs/dbraw/zinc/45/75/55/452457555.db2.gz HLJZEHVOTGBVNL-HZPDHXFCSA-N 2 2 345.491 1.748 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617598 452475971 /nfs/dbraw/zinc/47/59/71/452475971.db2.gz SVMCYCXEPPPFPX-UHFFFAOYSA-N 2 2 339.443 1.825 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CCO1 ZINC000663769698 452498466 /nfs/dbraw/zinc/49/84/66/452498466.db2.gz LYPHDUATJHHPNV-INIZCTEOSA-N 2 2 337.468 1.416 20 0 EDADLP Cc1nn2c(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c(C)nc2s1 ZINC000657750374 452499479 /nfs/dbraw/zinc/49/94/79/452499479.db2.gz INLFOPWVXXXDAW-CQSZACIVSA-N 2 2 335.477 1.751 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000659637870 452500982 /nfs/dbraw/zinc/50/09/82/452500982.db2.gz HCBKAMQJDBKXFL-AWEZNQCLSA-N 2 2 334.468 1.348 20 0 EDADLP C[C@@]12COC[C@H]1C[N@H+](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000661702060 452504988 /nfs/dbraw/zinc/50/49/88/452504988.db2.gz OTWLWOHTDNHUEQ-UYAOXDASSA-N 2 2 343.471 1.299 20 0 EDADLP C[C@@]12COC[C@H]1C[N@@H+](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000661702060 452504997 /nfs/dbraw/zinc/50/49/97/452504997.db2.gz OTWLWOHTDNHUEQ-UYAOXDASSA-N 2 2 343.471 1.299 20 0 EDADLP c1cnc(N2CCC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)nc1 ZINC000655695070 452516631 /nfs/dbraw/zinc/51/66/31/452516631.db2.gz PVMAMXLAOCFYEP-SJORKVTESA-N 2 2 331.464 1.288 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357980 452536310 /nfs/dbraw/zinc/53/63/10/452536310.db2.gz UONXBOZPFJPMHT-CKEIUWERSA-N 2 2 335.448 1.168 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357980 452536321 /nfs/dbraw/zinc/53/63/21/452536321.db2.gz UONXBOZPFJPMHT-CKEIUWERSA-N 2 2 335.448 1.168 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cn21 ZINC000647804558 452536966 /nfs/dbraw/zinc/53/69/66/452536966.db2.gz URBNTTXEDPWSBH-RCCFBDPRSA-N 3 2 328.460 1.932 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NC[C@H]1COc2ccccc2O1 ZINC000647814688 452544475 /nfs/dbraw/zinc/54/44/75/452544475.db2.gz ZQADWOZJCGWJNJ-INIZCTEOSA-N 2 2 345.443 1.159 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NC[C@H]1COc2ccccc2O1 ZINC000647814688 452544480 /nfs/dbraw/zinc/54/44/80/452544480.db2.gz ZQADWOZJCGWJNJ-INIZCTEOSA-N 2 2 345.443 1.159 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCN1CC(F)(F)F ZINC000655734308 452546714 /nfs/dbraw/zinc/54/67/14/452546714.db2.gz FHVVQRFZQGQUSD-ZIAGYGMSSA-N 2 2 349.397 1.383 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC000657823289 452551510 /nfs/dbraw/zinc/55/15/10/452551510.db2.gz KIFHXFPDXIFKQK-AWEZNQCLSA-N 2 2 343.431 1.381 20 0 EDADLP COC1(CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000652370775 452558389 /nfs/dbraw/zinc/55/83/89/452558389.db2.gz OFLTWGAPYICAPX-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP COC1(CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000652370775 452558396 /nfs/dbraw/zinc/55/83/96/452558396.db2.gz OFLTWGAPYICAPX-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000655761741 452563805 /nfs/dbraw/zinc/56/38/05/452563805.db2.gz OFUZCZWEIXCREL-QGZVFWFLSA-N 2 2 332.448 1.773 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000647847181 452579562 /nfs/dbraw/zinc/57/95/62/452579562.db2.gz FPBDHNCFLUYHOM-CQSZACIVSA-N 2 2 334.464 1.315 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000647847181 452579566 /nfs/dbraw/zinc/57/95/66/452579566.db2.gz FPBDHNCFLUYHOM-CQSZACIVSA-N 2 2 334.464 1.315 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)cc2[nH+]1 ZINC000657894227 452595995 /nfs/dbraw/zinc/59/59/95/452595995.db2.gz SOZMDJWFUDHOTE-HNNXBMFYSA-N 2 2 343.431 1.380 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)cc2[nH+]1 ZINC000657894227 452595999 /nfs/dbraw/zinc/59/59/99/452595999.db2.gz SOZMDJWFUDHOTE-HNNXBMFYSA-N 2 2 343.431 1.380 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000655851863 452610747 /nfs/dbraw/zinc/61/07/47/452610747.db2.gz AEKNTJLBFVLLFF-YESZJQIVSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000655851863 452610753 /nfs/dbraw/zinc/61/07/53/452610753.db2.gz AEKNTJLBFVLLFF-YESZJQIVSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000655851863 452610763 /nfs/dbraw/zinc/61/07/63/452610763.db2.gz AEKNTJLBFVLLFF-YESZJQIVSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000655851863 452610774 /nfs/dbraw/zinc/61/07/74/452610774.db2.gz AEKNTJLBFVLLFF-YESZJQIVSA-N 2 2 336.480 1.166 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(C)([NH3+])CC2)cc1OC ZINC000647925315 452662532 /nfs/dbraw/zinc/66/25/32/452662532.db2.gz CTCYRMWAEXKHKV-CQSZACIVSA-N 2 2 349.475 1.864 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000647925662 452664483 /nfs/dbraw/zinc/66/44/83/452664483.db2.gz SBBHMFISACUEBV-MRXNPFEDSA-N 2 2 335.423 1.539 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912953 452669627 /nfs/dbraw/zinc/66/96/27/452669627.db2.gz YLGROUJPOHJCNA-CYBMUJFWSA-N 2 2 343.353 1.924 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000647938570 452678828 /nfs/dbraw/zinc/67/88/28/452678828.db2.gz PXXZDYKUXFRDRW-CJNGLKHVSA-N 2 2 332.448 1.386 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC[C@@H]1[NH3+] ZINC000647938570 452678837 /nfs/dbraw/zinc/67/88/37/452678837.db2.gz PXXZDYKUXFRDRW-CJNGLKHVSA-N 2 2 332.448 1.386 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647938837 452679569 /nfs/dbraw/zinc/67/95/69/452679569.db2.gz VXHLSMCKHIOSSH-ZFWWWQNUSA-N 2 2 341.402 1.963 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000647938837 452679580 /nfs/dbraw/zinc/67/95/80/452679580.db2.gz VXHLSMCKHIOSSH-ZFWWWQNUSA-N 2 2 341.402 1.963 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@@H]1[NH3+] ZINC000647940379 452681350 /nfs/dbraw/zinc/68/13/50/452681350.db2.gz WECMKKXKVAEMGN-ZFWWWQNUSA-N 2 2 333.432 1.846 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@@H]1[NH3+] ZINC000647940379 452681357 /nfs/dbraw/zinc/68/13/57/452681357.db2.gz WECMKKXKVAEMGN-ZFWWWQNUSA-N 2 2 333.432 1.846 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000663975169 452684193 /nfs/dbraw/zinc/68/41/93/452684193.db2.gz OMLPKJHRIJIBGZ-QGZVFWFLSA-N 2 2 341.459 1.879 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000663975169 452684205 /nfs/dbraw/zinc/68/42/05/452684205.db2.gz OMLPKJHRIJIBGZ-QGZVFWFLSA-N 2 2 341.459 1.879 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCC1(c2ccccc2)CC1 ZINC000647957037 452699442 /nfs/dbraw/zinc/69/94/42/452699442.db2.gz HWQWNLSSUMGSRF-IBGZPJMESA-N 2 2 327.472 1.910 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCC1(c2ccccc2)CC1 ZINC000647957037 452699457 /nfs/dbraw/zinc/69/94/57/452699457.db2.gz HWQWNLSSUMGSRF-IBGZPJMESA-N 2 2 327.472 1.910 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000661949736 452708017 /nfs/dbraw/zinc/70/80/17/452708017.db2.gz WYQZWROPZIYSHP-MRXNPFEDSA-N 2 2 331.464 1.706 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000661949736 452708025 /nfs/dbraw/zinc/70/80/25/452708025.db2.gz WYQZWROPZIYSHP-MRXNPFEDSA-N 2 2 331.464 1.706 20 0 EDADLP CN(CC[NH+]1CCCCC1)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000664071249 452764536 /nfs/dbraw/zinc/76/45/36/452764536.db2.gz PTFTZOFJXXEPCX-UHFFFAOYSA-N 2 2 333.480 1.750 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)cn21 ZINC000645761411 452765286 /nfs/dbraw/zinc/76/52/86/452765286.db2.gz YWWYRKNGVMMKCO-ZBFHGGJFSA-N 2 2 327.432 1.531 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)cn21 ZINC000645761411 452765297 /nfs/dbraw/zinc/76/52/97/452765297.db2.gz YWWYRKNGVMMKCO-ZBFHGGJFSA-N 2 2 327.432 1.531 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000648032310 452768458 /nfs/dbraw/zinc/76/84/58/452768458.db2.gz ANZGTDGCVOTDPV-YOEHRIQHSA-N 2 2 329.448 1.826 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000654657464 452771433 /nfs/dbraw/zinc/77/14/33/452771433.db2.gz IAWOVELZRXCLKN-IYBDPMFKSA-N 2 2 336.505 1.916 20 0 EDADLP Cc1[nH+]cc(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)n1-c1ccccc1 ZINC000648064706 452792544 /nfs/dbraw/zinc/79/25/44/452792544.db2.gz JALWPEJIWIMESS-OAHLLOKOSA-N 2 2 341.459 1.733 20 0 EDADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000648066094 452797905 /nfs/dbraw/zinc/79/79/05/452797905.db2.gz XZSNRZPDFUNCIO-ZDUSSCGKSA-N 2 2 333.461 1.486 20 0 EDADLP COc1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)on1 ZINC000659911061 452801252 /nfs/dbraw/zinc/80/12/52/452801252.db2.gz BZPHXVWIERILDL-UHFFFAOYSA-N 2 2 344.459 1.933 20 0 EDADLP COc1cc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)on1 ZINC000659911061 452801258 /nfs/dbraw/zinc/80/12/58/452801258.db2.gz BZPHXVWIERILDL-UHFFFAOYSA-N 2 2 344.459 1.933 20 0 EDADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000648073691 452802916 /nfs/dbraw/zinc/80/29/16/452802916.db2.gz UBEPNYFIVPAAHF-CQSZACIVSA-N 2 2 326.322 1.835 20 0 EDADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000648073691 452802926 /nfs/dbraw/zinc/80/29/26/452802926.db2.gz UBEPNYFIVPAAHF-CQSZACIVSA-N 2 2 326.322 1.835 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3CCC(O)CC3)C2)CC1 ZINC000664131353 452812904 /nfs/dbraw/zinc/81/29/04/452812904.db2.gz WSJKEIXVLFQOJS-ISXOHVOVSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3CCC(O)CC3)C2)CC1 ZINC000664131353 452812914 /nfs/dbraw/zinc/81/29/14/452812914.db2.gz WSJKEIXVLFQOJS-ISXOHVOVSA-N 2 2 338.496 1.005 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000658264972 452818631 /nfs/dbraw/zinc/81/86/31/452818631.db2.gz PDMSIYZAUKPCKE-AWEZNQCLSA-N 2 2 332.448 1.934 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000658264972 452818641 /nfs/dbraw/zinc/81/86/41/452818641.db2.gz PDMSIYZAUKPCKE-AWEZNQCLSA-N 2 2 332.448 1.934 20 0 EDADLP CN1CCN(c2cc(NC[C@@H]3CC[N@@H+]3C(C)(C)C)nc[nH+]2)CC1=O ZINC000664142366 452819143 /nfs/dbraw/zinc/81/91/43/452819143.db2.gz JCBHGJHAUPIWKI-ZDUSSCGKSA-N 2 2 332.452 1.040 20 0 EDADLP CN1CCN(c2cc(NC[C@@H]3CC[N@H+]3C(C)(C)C)nc[nH+]2)CC1=O ZINC000664142366 452819150 /nfs/dbraw/zinc/81/91/50/452819150.db2.gz JCBHGJHAUPIWKI-ZDUSSCGKSA-N 2 2 332.452 1.040 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000645838383 452836124 /nfs/dbraw/zinc/83/61/24/452836124.db2.gz QFUIPFOATXGASO-KRWDZBQOSA-N 2 2 337.414 1.921 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000645838383 452836130 /nfs/dbraw/zinc/83/61/30/452836130.db2.gz QFUIPFOATXGASO-KRWDZBQOSA-N 2 2 337.414 1.921 20 0 EDADLP C[NH+]1CCC(C[NH2+]Cc2n[nH]c3ccccc32)(N2CCOCC2)CC1 ZINC000666407277 452846674 /nfs/dbraw/zinc/84/66/74/452846674.db2.gz XKGFJSXASFYRPW-UHFFFAOYSA-N 2 2 343.475 1.449 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000658340158 452853107 /nfs/dbraw/zinc/85/31/07/452853107.db2.gz BONBTGCBRZFKRH-QZTJIDSGSA-N 2 2 344.503 1.449 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000658340158 452853123 /nfs/dbraw/zinc/85/31/23/452853123.db2.gz BONBTGCBRZFKRH-QZTJIDSGSA-N 2 2 344.503 1.449 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000654734147 452858432 /nfs/dbraw/zinc/85/84/32/452858432.db2.gz BMOUHQUUGCLSBW-TWMKSMIVSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000654734147 452858443 /nfs/dbraw/zinc/85/84/43/452858443.db2.gz BMOUHQUUGCLSBW-TWMKSMIVSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000654734147 452858452 /nfs/dbraw/zinc/85/84/52/452858452.db2.gz BMOUHQUUGCLSBW-TWMKSMIVSA-N 2 2 336.480 1.118 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CC2)cs1 ZINC000648152944 452864661 /nfs/dbraw/zinc/86/46/61/452864661.db2.gz QSRLQNFOEDXDOS-HOCLYGCPSA-N 2 2 336.505 1.861 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[C@H]3C[NH3+])CC2)cs1 ZINC000648152944 452864669 /nfs/dbraw/zinc/86/46/69/452864669.db2.gz QSRLQNFOEDXDOS-HOCLYGCPSA-N 2 2 336.505 1.861 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654758560 452888505 /nfs/dbraw/zinc/88/85/05/452888505.db2.gz GBLSJNAJEVXMJB-HZPDHXFCSA-N 2 2 339.867 1.780 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654758560 452888511 /nfs/dbraw/zinc/88/85/11/452888511.db2.gz GBLSJNAJEVXMJB-HZPDHXFCSA-N 2 2 339.867 1.780 20 0 EDADLP CN(C(=O)NCCc1ccoc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000666479218 452898854 /nfs/dbraw/zinc/89/88/54/452898854.db2.gz NVKRABNOLRQZCZ-QGZVFWFLSA-N 2 2 334.464 1.632 20 0 EDADLP CN(C(=O)NCCc1ccoc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000666479218 452898861 /nfs/dbraw/zinc/89/88/61/452898861.db2.gz NVKRABNOLRQZCZ-QGZVFWFLSA-N 2 2 334.464 1.632 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000664223742 452900225 /nfs/dbraw/zinc/90/02/25/452900225.db2.gz CDWYKXBLVVSVPP-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000664223742 452900233 /nfs/dbraw/zinc/90/02/33/452900233.db2.gz CDWYKXBLVVSVPP-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000664223529 452900778 /nfs/dbraw/zinc/90/07/78/452900778.db2.gz KOVJMHLQUKZHGQ-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000664223529 452900785 /nfs/dbraw/zinc/90/07/85/452900785.db2.gz KOVJMHLQUKZHGQ-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CN(C)c1cc(C(F)(F)F)nc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664246945 452925709 /nfs/dbraw/zinc/92/57/09/452925709.db2.gz BPUAYZHSGIFOOH-UHFFFAOYSA-N 2 2 348.417 1.857 20 0 EDADLP CN(C)c1cc(C(F)(F)F)nc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664246945 452925716 /nfs/dbraw/zinc/92/57/16/452925716.db2.gz BPUAYZHSGIFOOH-UHFFFAOYSA-N 2 2 348.417 1.857 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2ccnn2-c2ccccc2OC)C[C@H]1C[NH3+] ZINC000650714706 452948595 /nfs/dbraw/zinc/94/85/95/452948595.db2.gz ZWNOOYXHTCBKHZ-RDTXWAMCSA-N 2 2 330.432 1.677 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2ccnn2-c2ccccc2OC)C[C@H]1C[NH3+] ZINC000650714706 452948600 /nfs/dbraw/zinc/94/86/00/452948600.db2.gz ZWNOOYXHTCBKHZ-RDTXWAMCSA-N 2 2 330.432 1.677 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977868 452964272 /nfs/dbraw/zinc/96/42/72/452964272.db2.gz MGFANRHYIPRTNT-AEFFLSMTSA-N 3 2 348.466 1.153 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977868 452964278 /nfs/dbraw/zinc/96/42/78/452964278.db2.gz MGFANRHYIPRTNT-AEFFLSMTSA-N 3 2 348.466 1.153 20 0 EDADLP COc1cccc(C[N@H+](C[C@H]2C[NH2+]CCO2)C2CCC(O)CC2)c1 ZINC000662255801 452986471 /nfs/dbraw/zinc/98/64/71/452986471.db2.gz DIBGARQYICRVQL-FAFZWHIHSA-N 2 2 334.460 1.789 20 0 EDADLP COc1cccc(C[N@@H+](C[C@H]2C[NH2+]CCO2)C2CCC(O)CC2)c1 ZINC000662255801 452986474 /nfs/dbraw/zinc/98/64/74/452986474.db2.gz DIBGARQYICRVQL-FAFZWHIHSA-N 2 2 334.460 1.789 20 0 EDADLP CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)[nH]1 ZINC000662264223 452994673 /nfs/dbraw/zinc/99/46/73/452994673.db2.gz GSVDNVBLSVHEIQ-BFHYXJOUSA-N 2 2 334.468 1.008 20 0 EDADLP CCc1nnc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)[nH]1 ZINC000662264223 452994681 /nfs/dbraw/zinc/99/46/81/452994681.db2.gz GSVDNVBLSVHEIQ-BFHYXJOUSA-N 2 2 334.468 1.008 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000662266112 452996912 /nfs/dbraw/zinc/99/69/12/452996912.db2.gz FMMJMACDQMDJIT-OAHLLOKOSA-N 2 2 337.464 1.814 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000662266112 452996917 /nfs/dbraw/zinc/99/69/17/452996917.db2.gz FMMJMACDQMDJIT-OAHLLOKOSA-N 2 2 337.464 1.814 20 0 EDADLP FC(F)(F)Cn1nnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000662273530 453003023 /nfs/dbraw/zinc/00/30/23/453003023.db2.gz OBCCOJPQKQHALM-RYUDHWBXSA-N 2 2 332.374 1.447 20 0 EDADLP FC(F)(F)Cn1nnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000662273530 453003033 /nfs/dbraw/zinc/00/30/33/453003033.db2.gz OBCCOJPQKQHALM-RYUDHWBXSA-N 2 2 332.374 1.447 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncc(Br)s1 ZINC000664330288 453004735 /nfs/dbraw/zinc/00/47/35/453004735.db2.gz JATZUYPEAMYXJY-UHFFFAOYSA-N 2 2 349.298 1.519 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncc(Br)s1 ZINC000664330288 453004742 /nfs/dbraw/zinc/00/47/42/453004742.db2.gz JATZUYPEAMYXJY-UHFFFAOYSA-N 2 2 349.298 1.519 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662320849 453037921 /nfs/dbraw/zinc/03/79/21/453037921.db2.gz XCRZDJFKEOYYNK-GOSISDBHSA-N 2 2 349.475 1.354 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662320849 453037932 /nfs/dbraw/zinc/03/79/32/453037932.db2.gz XCRZDJFKEOYYNK-GOSISDBHSA-N 2 2 349.475 1.354 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320200 453038123 /nfs/dbraw/zinc/03/81/23/453038123.db2.gz RYEVOKSREZMPDO-XDNAFOTISA-N 2 2 339.524 1.922 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320200 453038130 /nfs/dbraw/zinc/03/81/30/453038130.db2.gz RYEVOKSREZMPDO-XDNAFOTISA-N 2 2 339.524 1.922 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1F ZINC000648370675 453039439 /nfs/dbraw/zinc/03/94/39/453039439.db2.gz QCWUUZYTMORZFQ-FUHWJXTLSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1F ZINC000648370675 453039446 /nfs/dbraw/zinc/03/94/46/453039446.db2.gz QCWUUZYTMORZFQ-FUHWJXTLSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1F ZINC000648370675 453039453 /nfs/dbraw/zinc/03/94/53/453039453.db2.gz QCWUUZYTMORZFQ-FUHWJXTLSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1F ZINC000648370675 453039461 /nfs/dbraw/zinc/03/94/61/453039461.db2.gz QCWUUZYTMORZFQ-FUHWJXTLSA-N 2 2 335.467 1.971 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)CCO1 ZINC000662323577 453041548 /nfs/dbraw/zinc/04/15/48/453041548.db2.gz NYLILQAMOLEANN-WMZOPIPTSA-N 2 2 331.460 1.983 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)CCO1 ZINC000662323577 453041557 /nfs/dbraw/zinc/04/15/57/453041557.db2.gz NYLILQAMOLEANN-WMZOPIPTSA-N 2 2 331.460 1.983 20 0 EDADLP CCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OCC ZINC000666659434 453044664 /nfs/dbraw/zinc/04/46/64/453044664.db2.gz RTCUUSHGOIPEEY-CQSZACIVSA-N 2 2 336.436 1.591 20 0 EDADLP CCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OCC ZINC000666659434 453044668 /nfs/dbraw/zinc/04/46/68/453044668.db2.gz RTCUUSHGOIPEEY-CQSZACIVSA-N 2 2 336.436 1.591 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654950513 453063506 /nfs/dbraw/zinc/06/35/06/453063506.db2.gz KQKMSDAKXKZSGJ-CABCVRRESA-N 2 2 341.415 1.406 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654950513 453063512 /nfs/dbraw/zinc/06/35/12/453063512.db2.gz KQKMSDAKXKZSGJ-CABCVRRESA-N 2 2 341.415 1.406 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC(F)(F)C3)C2)CC1 ZINC000650877440 453077403 /nfs/dbraw/zinc/07/74/03/453077403.db2.gz VOOIAZWSUMBJQO-CYBMUJFWSA-N 2 2 330.423 1.596 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC(F)(F)C3)C2)CC1 ZINC000650877440 453077409 /nfs/dbraw/zinc/07/74/09/453077409.db2.gz VOOIAZWSUMBJQO-CYBMUJFWSA-N 2 2 330.423 1.596 20 0 EDADLP CN(Cc1cccs1)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102434 453103936 /nfs/dbraw/zinc/10/39/36/453103936.db2.gz JSWGXMQFBMXXKU-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP CN(Cc1cccs1)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102434 453103938 /nfs/dbraw/zinc/10/39/38/453103938.db2.gz JSWGXMQFBMXXKU-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@H](NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000646103692 453107599 /nfs/dbraw/zinc/10/75/99/453107599.db2.gz LNRBYSQPQXLWPX-HNNXBMFYSA-N 2 2 349.450 1.800 20 0 EDADLP C[C@H](NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000646103692 453107606 /nfs/dbraw/zinc/10/76/06/453107606.db2.gz LNRBYSQPQXLWPX-HNNXBMFYSA-N 2 2 349.450 1.800 20 0 EDADLP CCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664519706 453159524 /nfs/dbraw/zinc/15/95/24/453159524.db2.gz JSUDFRBYBIXQEX-HOTGVXAUSA-N 2 2 331.464 1.786 20 0 EDADLP CCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000664519706 453159532 /nfs/dbraw/zinc/15/95/32/453159532.db2.gz JSUDFRBYBIXQEX-HOTGVXAUSA-N 2 2 331.464 1.786 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000660304595 453196529 /nfs/dbraw/zinc/19/65/29/453196529.db2.gz GHTNIBKTYTXRBC-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000660304595 453196536 /nfs/dbraw/zinc/19/65/36/453196536.db2.gz GHTNIBKTYTXRBC-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CCCCNc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc(N)[nH+]1 ZINC000664598307 453232879 /nfs/dbraw/zinc/23/28/79/453232879.db2.gz SMKYITDYQGKGJL-AWEZNQCLSA-N 2 2 334.468 1.306 20 0 EDADLP CCCCNc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc(N)[nH+]1 ZINC000664598307 453232886 /nfs/dbraw/zinc/23/28/86/453232886.db2.gz SMKYITDYQGKGJL-AWEZNQCLSA-N 2 2 334.468 1.306 20 0 EDADLP CCCCNc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)[nH+]c(N)n1 ZINC000664598307 453232892 /nfs/dbraw/zinc/23/28/92/453232892.db2.gz SMKYITDYQGKGJL-AWEZNQCLSA-N 2 2 334.468 1.306 20 0 EDADLP CCCCNc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)[nH+]c(N)n1 ZINC000664598307 453232899 /nfs/dbraw/zinc/23/28/99/453232899.db2.gz SMKYITDYQGKGJL-AWEZNQCLSA-N 2 2 334.468 1.306 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648766781 453245775 /nfs/dbraw/zinc/24/57/75/453245775.db2.gz LCSOMQWPPJWGLE-NVXWUHKLSA-N 2 2 331.460 1.680 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648766781 453245781 /nfs/dbraw/zinc/24/57/81/453245781.db2.gz LCSOMQWPPJWGLE-NVXWUHKLSA-N 2 2 331.460 1.680 20 0 EDADLP CCCOc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653069665 453248128 /nfs/dbraw/zinc/24/81/28/453248128.db2.gz WLMFHUXJQZBQIQ-UKRRQHHQSA-N 2 2 337.464 1.940 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000653075604 453254080 /nfs/dbraw/zinc/25/40/80/453254080.db2.gz UHOQUYHLLIYIHU-KRWDZBQOSA-N 2 2 346.475 1.920 20 0 EDADLP COc1cccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653080064 453259700 /nfs/dbraw/zinc/25/97/00/453259700.db2.gz XISSNDDALPVRDJ-MSOLQXFVSA-N 2 2 349.475 1.482 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000648782552 453264488 /nfs/dbraw/zinc/26/44/88/453264488.db2.gz OKOSKYSAPCWPHV-HOTGVXAUSA-N 2 2 335.496 1.396 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000648782552 453264499 /nfs/dbraw/zinc/26/44/99/453264499.db2.gz OKOSKYSAPCWPHV-HOTGVXAUSA-N 2 2 335.496 1.396 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000662545813 453273516 /nfs/dbraw/zinc/27/35/16/453273516.db2.gz JYEZDQAZNLYKLN-GJZGRUSLSA-N 2 2 332.448 1.660 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC000648788167 453275615 /nfs/dbraw/zinc/27/56/15/453275615.db2.gz UVOZIFPVQCCHKN-HZPDHXFCSA-N 2 2 336.480 1.966 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC000648788167 453275622 /nfs/dbraw/zinc/27/56/22/453275622.db2.gz UVOZIFPVQCCHKN-HZPDHXFCSA-N 2 2 336.480 1.966 20 0 EDADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000653105094 453285598 /nfs/dbraw/zinc/28/55/98/453285598.db2.gz FVBUVTNHBMPMKP-GJZGRUSLSA-N 2 2 337.489 1.627 20 0 EDADLP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000653119501 453307943 /nfs/dbraw/zinc/30/79/43/453307943.db2.gz LVMYDSOUDLEQML-OALUTQOASA-N 2 2 345.487 1.436 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1[nH+]ccn1C ZINC000660450230 453320398 /nfs/dbraw/zinc/32/03/98/453320398.db2.gz QGLMMWFMWJRBAV-LBPRGKRZSA-N 2 2 333.461 1.900 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)c1[nH+]ccn1C ZINC000660450230 453320405 /nfs/dbraw/zinc/32/04/05/453320405.db2.gz QGLMMWFMWJRBAV-LBPRGKRZSA-N 2 2 333.461 1.900 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000658738347 453339119 /nfs/dbraw/zinc/33/91/19/453339119.db2.gz YEXMASJOKZXJLI-LSDHHAIUSA-N 2 2 347.463 1.105 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@H](C)CO1 ZINC000662629665 453346463 /nfs/dbraw/zinc/34/64/63/453346463.db2.gz AWZCIJBPZGZMIF-RKVPGOIHSA-N 2 2 345.487 1.904 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@H](C)CO1 ZINC000662629665 453346474 /nfs/dbraw/zinc/34/64/74/453346474.db2.gz AWZCIJBPZGZMIF-RKVPGOIHSA-N 2 2 345.487 1.904 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000653155530 453346633 /nfs/dbraw/zinc/34/66/33/453346633.db2.gz XUSXOBDCERKGRW-GOSISDBHSA-N 2 2 349.475 1.277 20 0 EDADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660498467 453351516 /nfs/dbraw/zinc/35/15/16/453351516.db2.gz QSODQYNGWBWGJK-ZBFHGGJFSA-N 2 2 342.505 1.832 20 0 EDADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660498467 453351528 /nfs/dbraw/zinc/35/15/28/453351528.db2.gz QSODQYNGWBWGJK-ZBFHGGJFSA-N 2 2 342.505 1.832 20 0 EDADLP CCN1C[C@@H](C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C)Oc2ccccc21 ZINC000656694417 453368345 /nfs/dbraw/zinc/36/83/45/453368345.db2.gz PENNBDMFFIAKKF-IAGOWNOFSA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)Oc2ccccc21 ZINC000656694417 453368354 /nfs/dbraw/zinc/36/83/54/453368354.db2.gz PENNBDMFFIAKKF-IAGOWNOFSA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@@H](C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)Oc2ccccc21 ZINC000656694417 453368360 /nfs/dbraw/zinc/36/83/60/453368360.db2.gz PENNBDMFFIAKKF-IAGOWNOFSA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)Oc2ccccc21 ZINC000656694417 453368369 /nfs/dbraw/zinc/36/83/69/453368369.db2.gz PENNBDMFFIAKKF-IAGOWNOFSA-N 2 2 335.492 1.907 20 0 EDADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000662665542 453380380 /nfs/dbraw/zinc/38/03/80/453380380.db2.gz GBXTXXCQXKHGDK-HZPDHXFCSA-N 2 2 337.851 1.348 20 0 EDADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000651231422 453382539 /nfs/dbraw/zinc/38/25/39/453382539.db2.gz DCEWVRRGZAZIDC-QUCCMNQESA-N 2 2 346.519 1.789 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)c[nH+]2)C[C@H](C)O1 ZINC000662674347 453391141 /nfs/dbraw/zinc/39/11/41/453391141.db2.gz BMVVTHNZRKMZED-VBQJREDUSA-N 2 2 346.475 1.700 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)c[nH+]2)CCO1 ZINC000662675303 453392050 /nfs/dbraw/zinc/39/20/50/453392050.db2.gz KPZFWILPLVDYCO-CJNGLKHVSA-N 2 2 332.448 1.311 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)c[nH+]2)CCO1 ZINC000662675304 453392067 /nfs/dbraw/zinc/39/20/67/453392067.db2.gz KPZFWILPLVDYCO-CZUORRHYSA-N 2 2 332.448 1.311 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])c[nH+]2)CC1 ZINC000662676506 453394125 /nfs/dbraw/zinc/39/41/25/453394125.db2.gz XRCVZTPCTCOJFH-HOTGVXAUSA-N 2 2 332.448 1.298 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H](C)CO1 ZINC000664791379 453408211 /nfs/dbraw/zinc/40/82/11/453408211.db2.gz GRYDFXKGZXVIQJ-NUWOQIAWSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@H](C)CO1 ZINC000664791379 453408222 /nfs/dbraw/zinc/40/82/22/453408222.db2.gz GRYDFXKGZXVIQJ-NUWOQIAWSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1nn(C)c2cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc12 ZINC000667125473 453421050 /nfs/dbraw/zinc/42/10/50/453421050.db2.gz DETOCRRLLDBHQV-UHFFFAOYSA-N 2 2 346.479 1.887 20 0 EDADLP Cc1nn(C)c2cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc12 ZINC000667125473 453421056 /nfs/dbraw/zinc/42/10/56/453421056.db2.gz DETOCRRLLDBHQV-UHFFFAOYSA-N 2 2 346.479 1.887 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3([NH3+])CC4(CCC4)C3)CC2)CC1 ZINC000662700581 453422431 /nfs/dbraw/zinc/42/24/31/453422431.db2.gz VWVQBBSZXBDSBV-UHFFFAOYSA-N 3 2 334.508 1.323 20 0 EDADLP [NH3+][C@@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccccc1 ZINC000662707558 453430853 /nfs/dbraw/zinc/43/08/53/453430853.db2.gz KIAWPOUCQQXUOR-BRWVUGGUSA-N 2 2 329.444 1.446 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cnc3cnccn23)cc1 ZINC000656790201 453448039 /nfs/dbraw/zinc/44/80/39/453448039.db2.gz QTCPKHJZGZUJLF-ROUUACIJSA-N 2 2 337.427 1.973 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662728558 453456015 /nfs/dbraw/zinc/45/60/15/453456015.db2.gz CKYKQCGOTIMTCP-CVEARBPZSA-N 2 2 328.416 1.254 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)on1 ZINC000662731880 453456680 /nfs/dbraw/zinc/45/66/80/453456680.db2.gz KASZYMQSVBRCIH-CHWSQXEVSA-N 2 2 336.436 1.242 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)CC1 ZINC000664873007 453457850 /nfs/dbraw/zinc/45/78/50/453457850.db2.gz ZMJVQXMTQICWNO-UHFFFAOYSA-N 2 2 333.480 1.395 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)CC1 ZINC000664873007 453457855 /nfs/dbraw/zinc/45/78/55/453457855.db2.gz ZMJVQXMTQICWNO-UHFFFAOYSA-N 2 2 333.480 1.395 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cnn2ccccc12 ZINC000664877472 453458763 /nfs/dbraw/zinc/45/87/63/453458763.db2.gz JIQGOMZLWWLOSL-UHFFFAOYSA-N 2 2 332.452 1.017 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cnn2ccccc12 ZINC000664877472 453458773 /nfs/dbraw/zinc/45/87/73/453458773.db2.gz JIQGOMZLWWLOSL-UHFFFAOYSA-N 2 2 332.452 1.017 20 0 EDADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cc[nH+]c1 ZINC000651315897 453461988 /nfs/dbraw/zinc/46/19/88/453461988.db2.gz FEJDENFSRCQMTE-NVXWUHKLSA-N 3 2 333.480 1.461 20 0 EDADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cc[nH+]c1 ZINC000651315897 453461994 /nfs/dbraw/zinc/46/19/94/453461994.db2.gz FEJDENFSRCQMTE-NVXWUHKLSA-N 3 2 333.480 1.461 20 0 EDADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1ccnc1 ZINC000651315897 453461998 /nfs/dbraw/zinc/46/19/98/453461998.db2.gz FEJDENFSRCQMTE-NVXWUHKLSA-N 2 2 333.480 1.461 20 0 EDADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1ccnc1 ZINC000651315897 453462002 /nfs/dbraw/zinc/46/20/02/453462002.db2.gz FEJDENFSRCQMTE-NVXWUHKLSA-N 2 2 333.480 1.461 20 0 EDADLP Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)NCC[NH+]1CCC1 ZINC000651327885 453472760 /nfs/dbraw/zinc/47/27/60/453472760.db2.gz LNZUVZOIHGQLLC-MRXNPFEDSA-N 2 2 327.432 1.709 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000667237286 453500961 /nfs/dbraw/zinc/50/09/61/453500961.db2.gz UVXOQMGJLZCTSC-AWEZNQCLSA-N 2 2 333.436 1.490 20 0 EDADLP O=C(C[NH2+]C1(CCO)CCCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000660681799 453510513 /nfs/dbraw/zinc/51/05/13/453510513.db2.gz WPWHZHSYFVBBBY-UHFFFAOYSA-N 2 2 335.448 1.209 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000660701577 453526227 /nfs/dbraw/zinc/52/62/27/453526227.db2.gz ASHYPIOVKJGQHQ-SOUVJXGZSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000660701577 453526233 /nfs/dbraw/zinc/52/62/33/453526233.db2.gz ASHYPIOVKJGQHQ-SOUVJXGZSA-N 2 2 326.485 1.268 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)c1ccccn1 ZINC000664982222 453529428 /nfs/dbraw/zinc/52/94/28/453529428.db2.gz IDLUAJADQNTSGR-UHFFFAOYSA-N 2 2 335.496 1.542 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)c1ccccn1 ZINC000664982222 453529435 /nfs/dbraw/zinc/52/94/35/453529435.db2.gz IDLUAJADQNTSGR-UHFFFAOYSA-N 2 2 335.496 1.542 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655442453 453529553 /nfs/dbraw/zinc/52/95/53/453529553.db2.gz PZBANWAGMSHGGT-GGPKGHCWSA-N 2 2 343.471 1.393 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655442453 453529563 /nfs/dbraw/zinc/52/95/63/453529563.db2.gz PZBANWAGMSHGGT-GGPKGHCWSA-N 2 2 343.471 1.393 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655449787 453536825 /nfs/dbraw/zinc/53/68/25/453536825.db2.gz PBCZBJCCRIACRM-HHXXYDBFSA-N 2 2 328.460 1.677 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCc3ccco3)C2)CC1 ZINC000660712977 453540742 /nfs/dbraw/zinc/54/07/42/453540742.db2.gz OWVFCFZIZLQODV-HNNXBMFYSA-N 2 2 334.464 1.680 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCc3ccco3)C2)CC1 ZINC000660712977 453540749 /nfs/dbraw/zinc/54/07/49/453540749.db2.gz OWVFCFZIZLQODV-HNNXBMFYSA-N 2 2 334.464 1.680 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c[nH+]1 ZINC000665062409 453561299 /nfs/dbraw/zinc/56/12/99/453561299.db2.gz DDBKPSDPKUZAGD-KRWDZBQOSA-N 2 2 334.464 1.951 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC[C@H]1F ZINC000658988472 453568078 /nfs/dbraw/zinc/56/80/78/453568078.db2.gz XSMHKXCOUXRHJS-HUUCEWRRSA-N 2 2 336.411 1.422 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCCCC[NH+](C)C2CC2)[C@@H](C)CO1 ZINC000665080503 453568742 /nfs/dbraw/zinc/56/87/42/453568742.db2.gz YVQXTEKVBCSCDF-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCCCC[NH+](C)C2CC2)[C@@H](C)CO1 ZINC000665080503 453568746 /nfs/dbraw/zinc/56/87/46/453568746.db2.gz YVQXTEKVBCSCDF-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCCCC[N@H+](C)C2CC2)[C@@H](C)CO1 ZINC000665080503 453568748 /nfs/dbraw/zinc/56/87/48/453568748.db2.gz YVQXTEKVBCSCDF-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCCCC[N@@H+](C)C2CC2)[C@@H](C)CO1 ZINC000665080503 453568751 /nfs/dbraw/zinc/56/87/51/453568751.db2.gz YVQXTEKVBCSCDF-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP O=C([C@@H]1CCC[NH2+]CC1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662851263 453571256 /nfs/dbraw/zinc/57/12/56/453571256.db2.gz ZKABVPWDSWHDDS-QRVBRYPASA-N 2 2 343.471 1.488 20 0 EDADLP O=C([C@@H]1CCC[NH2+]CC1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662851263 453571257 /nfs/dbraw/zinc/57/12/57/453571257.db2.gz ZKABVPWDSWHDDS-QRVBRYPASA-N 2 2 343.471 1.488 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901324 453595809 /nfs/dbraw/zinc/59/58/09/453595809.db2.gz VLEBGZZXZYXHHG-LULLPPNCSA-N 3 2 348.535 1.534 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901324 453595813 /nfs/dbraw/zinc/59/58/13/453595813.db2.gz VLEBGZZXZYXHHG-LULLPPNCSA-N 3 2 348.535 1.534 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661043650 453692720 /nfs/dbraw/zinc/69/27/20/453692720.db2.gz CJWZTBVERKZZKQ-HOTGVXAUSA-N 2 2 331.464 1.619 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661043650 453692726 /nfs/dbraw/zinc/69/27/26/453692726.db2.gz CJWZTBVERKZZKQ-HOTGVXAUSA-N 2 2 331.464 1.619 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)[C@@H]2CCC[NH+](C)C2)cc1 ZINC000665463838 453703582 /nfs/dbraw/zinc/70/35/82/453703582.db2.gz PAJZPPOOAYVMFQ-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)[C@@H]2CCC[NH+](C)C2)cc1 ZINC000665463838 453703586 /nfs/dbraw/zinc/70/35/86/453703586.db2.gz PAJZPPOOAYVMFQ-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000665463838 453703590 /nfs/dbraw/zinc/70/35/90/453703590.db2.gz PAJZPPOOAYVMFQ-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000665463838 453703594 /nfs/dbraw/zinc/70/35/94/453703594.db2.gz PAJZPPOOAYVMFQ-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP c1cn(C[C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nn1 ZINC000661138386 453724983 /nfs/dbraw/zinc/72/49/83/453724983.db2.gz AYDJNCNPGXKLSA-LJQANCHMSA-N 2 2 341.459 1.632 20 0 EDADLP c1cn(C[C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)nn1 ZINC000661138386 453724986 /nfs/dbraw/zinc/72/49/86/453724986.db2.gz AYDJNCNPGXKLSA-LJQANCHMSA-N 2 2 341.459 1.632 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000665553035 453744734 /nfs/dbraw/zinc/74/47/34/453744734.db2.gz MGOHGPQPMOKRSH-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000665553035 453744735 /nfs/dbraw/zinc/74/47/35/453744735.db2.gz MGOHGPQPMOKRSH-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1ccc([C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)N2CCOCC2)o1 ZINC000657298090 453759257 /nfs/dbraw/zinc/75/92/57/453759257.db2.gz RQGKZLGOURXJID-INIZCTEOSA-N 2 2 330.432 1.894 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cn2)CC1 ZINC000657301806 453760288 /nfs/dbraw/zinc/76/02/88/453760288.db2.gz HRBYWUAAPLRHPE-UHFFFAOYSA-N 3 2 326.448 1.266 20 0 EDADLP CCCn1nccc1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000657303379 453761509 /nfs/dbraw/zinc/76/15/09/453761509.db2.gz NQNXSAICAWHVPT-UHFFFAOYSA-N 2 2 343.479 1.385 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N(C)Cc1ccccc1 ZINC000663303729 453762654 /nfs/dbraw/zinc/76/26/54/453762654.db2.gz JUXNZPOFISWPQW-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657332552 453768139 /nfs/dbraw/zinc/76/81/39/453768139.db2.gz MOKOCVCQMPXXQL-UHFFFAOYSA-N 2 2 326.448 1.266 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657341089 453768825 /nfs/dbraw/zinc/76/88/25/453768825.db2.gz LCEHIBYYENSHFM-MRXNPFEDSA-N 2 2 334.468 1.035 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657341089 453768829 /nfs/dbraw/zinc/76/88/29/453768829.db2.gz LCEHIBYYENSHFM-MRXNPFEDSA-N 2 2 334.468 1.035 20 0 EDADLP Cc1[nH]c(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)[nH+]c1C ZINC000657371685 453777356 /nfs/dbraw/zinc/77/73/56/453777356.db2.gz ZZUSEYZPXHMFAC-ROUUACIJSA-N 2 2 328.460 1.999 20 0 EDADLP Cc1[nH]c(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)[nH+]c1C ZINC000657371685 453777361 /nfs/dbraw/zinc/77/73/61/453777361.db2.gz ZZUSEYZPXHMFAC-ROUUACIJSA-N 2 2 328.460 1.999 20 0 EDADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000663514137 453813833 /nfs/dbraw/zinc/81/38/33/453813833.db2.gz NLMHRAHGNMISSC-LBPRGKRZSA-N 2 2 342.281 1.983 20 0 EDADLP C[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401360 486769374 /nfs/dbraw/zinc/76/93/74/486769374.db2.gz VLUBNNISMDWSFI-STQMWFEESA-N 2 2 344.463 1.812 20 0 EDADLP C[C@H]([NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401360 486769379 /nfs/dbraw/zinc/76/93/79/486769379.db2.gz VLUBNNISMDWSFI-STQMWFEESA-N 2 2 344.463 1.812 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2nnc3n2CCCCC3)CC1 ZINC000680832699 486863747 /nfs/dbraw/zinc/86/37/47/486863747.db2.gz WDLVXNBWWKNNHB-CABCVRRESA-N 2 2 348.495 1.208 20 0 EDADLP COCCCOCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667642158 486894768 /nfs/dbraw/zinc/89/47/68/486894768.db2.gz QFOCTBAZXGZFSJ-UHFFFAOYSA-N 2 2 341.496 1.104 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCCCn1cc[nH+]c1 ZINC000683979899 486893164 /nfs/dbraw/zinc/89/31/64/486893164.db2.gz QWCRCEXBHGEVTD-UHFFFAOYSA-N 2 2 337.468 1.416 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCCCn1cc[nH+]c1 ZINC000683979899 486893171 /nfs/dbraw/zinc/89/31/71/486893171.db2.gz QWCRCEXBHGEVTD-UHFFFAOYSA-N 2 2 337.468 1.416 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676844935 486902000 /nfs/dbraw/zinc/90/20/00/486902000.db2.gz UOVPEOURMGCSKK-OIISXLGYSA-N 2 2 332.448 1.205 20 0 EDADLP CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000677054563 486966224 /nfs/dbraw/zinc/96/62/24/486966224.db2.gz XLFJZRZOHKJGNB-MRXNPFEDSA-N 2 2 331.464 1.691 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000677114642 486978507 /nfs/dbraw/zinc/97/85/07/486978507.db2.gz OWHWPCMGKXZRDH-CVEARBPZSA-N 2 2 340.431 1.904 20 0 EDADLP Cc1cnccc1CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677273717 487027008 /nfs/dbraw/zinc/02/70/08/487027008.db2.gz GMUMHPDQVFLERS-KRWDZBQOSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1cnccc1CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677273717 487027014 /nfs/dbraw/zinc/02/70/14/487027014.db2.gz GMUMHPDQVFLERS-KRWDZBQOSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1cccn2c(NC(=O)N3CCC([N@H+](C)CCCO)CC3)c[nH+]c12 ZINC000667950591 487028539 /nfs/dbraw/zinc/02/85/39/487028539.db2.gz JHVQCWGQQDDOME-UHFFFAOYSA-N 2 2 345.447 1.953 20 0 EDADLP Cc1cccn2c(NC(=O)N3CCC([N@@H+](C)CCCO)CC3)c[nH+]c12 ZINC000667950591 487028542 /nfs/dbraw/zinc/02/85/42/487028542.db2.gz JHVQCWGQQDDOME-UHFFFAOYSA-N 2 2 345.447 1.953 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000681386378 487030396 /nfs/dbraw/zinc/03/03/96/487030396.db2.gz ULYYZAGINMXPDL-CQSZACIVSA-N 2 2 332.452 1.041 20 0 EDADLP CN(Cc1c[nH+]c2n1CCC2)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000668013780 487059680 /nfs/dbraw/zinc/05/96/80/487059680.db2.gz HOXQGLYZQLBDLO-FQEVSTJZSA-N 2 2 340.471 1.898 20 0 EDADLP CN(Cc1c[nH+]c2n1CCC2)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000668013780 487059689 /nfs/dbraw/zinc/05/96/89/487059689.db2.gz HOXQGLYZQLBDLO-FQEVSTJZSA-N 2 2 340.471 1.898 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3Cc4ccc(F)cc43)C2)CC1 ZINC000684440267 487060939 /nfs/dbraw/zinc/06/09/39/487060939.db2.gz GWFXLEVUTZTPHW-YJBOKZPZSA-N 2 2 331.435 1.750 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3Cc4ccc(F)cc43)C2)CC1 ZINC000684440267 487060943 /nfs/dbraw/zinc/06/09/43/487060943.db2.gz GWFXLEVUTZTPHW-YJBOKZPZSA-N 2 2 331.435 1.750 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000077931174 487078550 /nfs/dbraw/zinc/07/85/50/487078550.db2.gz CQJVXRFJKZFPKN-SFHVURJKSA-N 2 2 346.475 1.282 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000077931174 487078553 /nfs/dbraw/zinc/07/85/53/487078553.db2.gz CQJVXRFJKZFPKN-SFHVURJKSA-N 2 2 346.475 1.282 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681551199 487083894 /nfs/dbraw/zinc/08/38/94/487083894.db2.gz CSHFXKGZZGXFBP-CQSZACIVSA-N 2 2 330.457 1.682 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681551199 487083899 /nfs/dbraw/zinc/08/38/99/487083899.db2.gz CSHFXKGZZGXFBP-CQSZACIVSA-N 2 2 330.457 1.682 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1Cc1ccccn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000673669148 487084042 /nfs/dbraw/zinc/08/40/42/487084042.db2.gz DVSGKSAZNOKHTE-ZWKOTPCHSA-N 2 2 328.460 1.741 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1Cc1ccccn1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000673669148 487084044 /nfs/dbraw/zinc/08/40/44/487084044.db2.gz DVSGKSAZNOKHTE-ZWKOTPCHSA-N 2 2 328.460 1.741 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)[C@H]1CC[NH+](C2CC2)C1 ZINC000673669148 487084049 /nfs/dbraw/zinc/08/40/49/487084049.db2.gz DVSGKSAZNOKHTE-ZWKOTPCHSA-N 2 2 328.460 1.741 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)[C@H]1CC[NH+](C2CC2)C1 ZINC000673669148 487084055 /nfs/dbraw/zinc/08/40/55/487084055.db2.gz DVSGKSAZNOKHTE-ZWKOTPCHSA-N 2 2 328.460 1.741 20 0 EDADLP COc1cccc(F)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673669503 487084079 /nfs/dbraw/zinc/08/40/79/487084079.db2.gz SIFCZOMOKJCJJR-ZDUSSCGKSA-N 2 2 335.423 1.733 20 0 EDADLP COc1cccc(F)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673669503 487084084 /nfs/dbraw/zinc/08/40/84/487084084.db2.gz SIFCZOMOKJCJJR-ZDUSSCGKSA-N 2 2 335.423 1.733 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673773725 487110613 /nfs/dbraw/zinc/11/06/13/487110613.db2.gz VJBLDELNGRLZRR-UHFFFAOYSA-N 2 2 333.436 1.063 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673773725 487110617 /nfs/dbraw/zinc/11/06/17/487110617.db2.gz VJBLDELNGRLZRR-UHFFFAOYSA-N 2 2 333.436 1.063 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3coc(C4CC4)n3)CC2)CC1 ZINC000681631790 487115316 /nfs/dbraw/zinc/11/53/16/487115316.db2.gz CANHIIDCAZPPGP-UHFFFAOYSA-N 2 2 332.448 1.840 20 0 EDADLP Cc1cn2ccc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)cc2[nH+]1 ZINC000668154901 487122401 /nfs/dbraw/zinc/12/24/01/487122401.db2.gz ZNSOWSWFOGCHAM-UONOGXRCSA-N 2 2 331.420 1.873 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@H](C)C[NH+]3CCOCC3)cc2[nH+]1 ZINC000668155288 487122461 /nfs/dbraw/zinc/12/24/61/487122461.db2.gz JOFDJTOMGABBJN-ZDUSSCGKSA-N 2 2 331.420 1.733 20 0 EDADLP C[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000673843039 487131856 /nfs/dbraw/zinc/13/18/56/487131856.db2.gz YRGNJADVNIAFDT-QFBILLFUSA-N 2 2 342.443 1.272 20 0 EDADLP C[C@@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000673843039 487131862 /nfs/dbraw/zinc/13/18/62/487131862.db2.gz YRGNJADVNIAFDT-QFBILLFUSA-N 2 2 342.443 1.272 20 0 EDADLP Cn1ncc2c1nc(C[NH+]1CCC(CCC[NH+](C)C)CC1)[nH]c2=O ZINC000678047515 487233480 /nfs/dbraw/zinc/23/34/80/487233480.db2.gz VUIAHDUZQAMKMR-UHFFFAOYSA-N 2 2 332.452 1.623 20 0 EDADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)nn1 ZINC000678061317 487236278 /nfs/dbraw/zinc/23/62/78/487236278.db2.gz HSCBWITVNUFBMF-UHFFFAOYSA-N 2 2 345.491 1.774 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCC(=O)c1ccccc1 ZINC000674370232 487246760 /nfs/dbraw/zinc/24/67/60/487246760.db2.gz VXRCJRBXQFSUTH-MRXNPFEDSA-N 2 2 326.400 1.519 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCC(=O)c1ccccc1 ZINC000674370232 487246762 /nfs/dbraw/zinc/24/67/62/487246762.db2.gz VXRCJRBXQFSUTH-MRXNPFEDSA-N 2 2 326.400 1.519 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000674373396 487247913 /nfs/dbraw/zinc/24/79/13/487247913.db2.gz FBJSZLXLCLBWSH-OWCLPIDISA-N 2 2 348.443 1.714 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000674373396 487247916 /nfs/dbraw/zinc/24/79/16/487247916.db2.gz FBJSZLXLCLBWSH-OWCLPIDISA-N 2 2 348.443 1.714 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000674373396 487247918 /nfs/dbraw/zinc/24/79/18/487247918.db2.gz FBJSZLXLCLBWSH-OWCLPIDISA-N 2 2 348.443 1.714 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000674373396 487247920 /nfs/dbraw/zinc/24/79/20/487247920.db2.gz FBJSZLXLCLBWSH-OWCLPIDISA-N 2 2 348.443 1.714 20 0 EDADLP CN(Cc1c(Cl)cnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457366 487278015 /nfs/dbraw/zinc/27/80/15/487278015.db2.gz BHQYPMYEQYUDPX-AWEZNQCLSA-N 2 2 325.888 1.674 20 0 EDADLP CN(Cc1c(Cl)cnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457366 487278017 /nfs/dbraw/zinc/27/80/17/487278017.db2.gz BHQYPMYEQYUDPX-AWEZNQCLSA-N 2 2 325.888 1.674 20 0 EDADLP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000685456969 487278448 /nfs/dbraw/zinc/27/84/48/487278448.db2.gz OMKRWHRSANDNOW-UHFFFAOYSA-N 2 2 327.494 1.015 20 0 EDADLP C[NH+]1CCN(C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)c2ccccc2)CC1 ZINC000526999846 487304602 /nfs/dbraw/zinc/30/46/02/487304602.db2.gz RKGDYOWLHUQHBN-GOSISDBHSA-N 2 2 341.459 1.447 20 0 EDADLP C[NH+]1CCN(C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)c2ccccc2)CC1 ZINC000526999846 487304605 /nfs/dbraw/zinc/30/46/05/487304605.db2.gz RKGDYOWLHUQHBN-GOSISDBHSA-N 2 2 341.459 1.447 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674721662 487305417 /nfs/dbraw/zinc/30/54/17/487305417.db2.gz FZELVDCORMQOPK-MAUKXSAKSA-N 2 2 330.476 1.984 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674721662 487305419 /nfs/dbraw/zinc/30/54/19/487305419.db2.gz FZELVDCORMQOPK-MAUKXSAKSA-N 2 2 330.476 1.984 20 0 EDADLP C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC[NH+](C)CC1 ZINC000682197122 487320126 /nfs/dbraw/zinc/32/01/26/487320126.db2.gz YTAFFUVYAFKDSI-GFCCVEGCSA-N 2 2 329.404 1.119 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000678885460 487375996 /nfs/dbraw/zinc/37/59/96/487375996.db2.gz CNOXGFVORNKLMS-NVXWUHKLSA-N 2 2 339.505 1.378 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000678885460 487375998 /nfs/dbraw/zinc/37/59/98/487375998.db2.gz CNOXGFVORNKLMS-NVXWUHKLSA-N 2 2 339.505 1.378 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)COCC(F)F)C2)CC1 ZINC000682500678 487377130 /nfs/dbraw/zinc/37/71/30/487377130.db2.gz VMOLJRWVDICVQX-CYBMUJFWSA-N 2 2 347.450 1.579 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)COCC(F)F)C2)CC1 ZINC000682500678 487377131 /nfs/dbraw/zinc/37/71/31/487377131.db2.gz VMOLJRWVDICVQX-CYBMUJFWSA-N 2 2 347.450 1.579 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000675199560 487388995 /nfs/dbraw/zinc/38/89/95/487388995.db2.gz KROKJZHGMSSMNK-INIZCTEOSA-N 2 2 348.495 1.122 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C2)o1 ZINC000675233565 487391773 /nfs/dbraw/zinc/39/17/73/487391773.db2.gz WUDXNMLTVZPZIW-HUUCEWRRSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C2)o1 ZINC000675233565 487391776 /nfs/dbraw/zinc/39/17/76/487391776.db2.gz WUDXNMLTVZPZIW-HUUCEWRRSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1cnc(C[NH+](C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC000675233565 487391780 /nfs/dbraw/zinc/39/17/80/487391780.db2.gz WUDXNMLTVZPZIW-HUUCEWRRSA-N 2 2 334.464 1.925 20 0 EDADLP COc1cc[nH+]c(CN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1OC ZINC000682756261 487411672 /nfs/dbraw/zinc/41/16/72/487411672.db2.gz OOSBJQSGVAFUJM-OAHLLOKOSA-N 2 2 335.448 1.786 20 0 EDADLP COc1cc[nH+]c(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1OC ZINC000682756261 487411675 /nfs/dbraw/zinc/41/16/75/487411675.db2.gz OOSBJQSGVAFUJM-OAHLLOKOSA-N 2 2 335.448 1.786 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)[C@@H]2C1 ZINC000679373343 487418530 /nfs/dbraw/zinc/41/85/30/487418530.db2.gz MNGSHSQKFZZTEV-CRAIPNDOSA-N 2 2 328.460 1.738 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3Cc4ccccc4C3)[C@@H]2C1 ZINC000679373343 487418531 /nfs/dbraw/zinc/41/85/31/487418531.db2.gz MNGSHSQKFZZTEV-CRAIPNDOSA-N 2 2 328.460 1.738 20 0 EDADLP CC[C@@]1(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCOC1 ZINC000682860926 487423282 /nfs/dbraw/zinc/42/32/82/487423282.db2.gz NBLCLXJNGQVYRF-GOSISDBHSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cccn2cc(CCNc3nc(N4CCOCC4)cc[nH+]3)[nH+]c12 ZINC000675720597 487438481 /nfs/dbraw/zinc/43/84/81/487438481.db2.gz CTPQQSPVVVRGSW-UHFFFAOYSA-N 2 2 338.415 1.924 20 0 EDADLP COCC(=O)NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000683003066 487441037 /nfs/dbraw/zinc/44/10/37/487441037.db2.gz UGQMODZGPLZNOD-UHFFFAOYSA-N 2 2 342.443 1.908 20 0 EDADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886868 487456622 /nfs/dbraw/zinc/45/66/22/487456622.db2.gz WHJNTGAXYSJLDD-KXBFYZLASA-N 2 2 333.451 1.809 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000668992997 485530719 /nfs/dbraw/zinc/53/07/19/485530719.db2.gz YQNRILPLZYWHDI-UHFFFAOYSA-N 2 2 335.411 1.979 20 0 EDADLP COC(=O)c1oc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000597057050 485595763 /nfs/dbraw/zinc/59/57/63/485595763.db2.gz GVYWHXFKSWORPV-AWEZNQCLSA-N 2 2 336.432 1.965 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)[NH+](C)C ZINC000675729368 485824442 /nfs/dbraw/zinc/82/44/42/485824442.db2.gz XMLQXVGEDYCKEW-KRWDZBQOSA-N 2 2 333.476 1.988 20 0 EDADLP CN(CCCC[NH+](C)C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000673840304 485825440 /nfs/dbraw/zinc/82/54/40/485825440.db2.gz IPGXANUJFXNCFI-UHFFFAOYSA-N 2 2 335.496 1.432 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669291196 485933613 /nfs/dbraw/zinc/93/36/13/485933613.db2.gz UUOXBAHZHDPHGJ-UHFFFAOYSA-N 2 2 325.416 1.750 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669323330 485968735 /nfs/dbraw/zinc/96/87/35/485968735.db2.gz RHNJYKASPAHSKW-ZACQAIPSSA-N 2 2 338.496 1.128 20 0 EDADLP CO[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000668638684 485980334 /nfs/dbraw/zinc/98/03/34/485980334.db2.gz AKSLARHOIJYQOL-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP CO[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000668638684 485980340 /nfs/dbraw/zinc/98/03/40/485980340.db2.gz AKSLARHOIJYQOL-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cc(C4CC4)cn3)C2)CC1 ZINC000668639931 485982734 /nfs/dbraw/zinc/98/27/34/485982734.db2.gz NXJIPUDPACASDV-INIZCTEOSA-N 2 2 331.464 1.045 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cc(C4CC4)cn3)C2)CC1 ZINC000668639931 485982739 /nfs/dbraw/zinc/98/27/39/485982739.db2.gz NXJIPUDPACASDV-INIZCTEOSA-N 2 2 331.464 1.045 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000237974997 486021113 /nfs/dbraw/zinc/02/11/13/486021113.db2.gz WDFCIDWBQFAXEM-UHFFFAOYSA-N 2 2 329.400 1.501 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1C1CC1 ZINC000348932001 486041887 /nfs/dbraw/zinc/04/18/87/486041887.db2.gz URYLYYPDRPFNMI-KDOFPFPSSA-N 2 2 342.447 1.349 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](CNC(=O)Cn2cc[nH+]c2)CCC[N@H+]1C1CC1 ZINC000348932001 486041892 /nfs/dbraw/zinc/04/18/92/486041892.db2.gz URYLYYPDRPFNMI-KDOFPFPSSA-N 2 2 342.447 1.349 20 0 EDADLP COCCN(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000668740558 486112746 /nfs/dbraw/zinc/11/27/46/486112746.db2.gz VIVYIFLOLAETAM-GOSISDBHSA-N 2 2 348.491 1.195 20 0 EDADLP COCCN(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000668740558 486112754 /nfs/dbraw/zinc/11/27/54/486112754.db2.gz VIVYIFLOLAETAM-GOSISDBHSA-N 2 2 348.491 1.195 20 0 EDADLP Cc1cn2ccc(NC(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)cc2[nH+]1 ZINC000668167281 486184574 /nfs/dbraw/zinc/18/45/74/486184574.db2.gz YUOOGVVQYHYXQY-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2ccc(NC(=O)N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)cc2[nH+]1 ZINC000668167281 486184580 /nfs/dbraw/zinc/18/45/80/486184580.db2.gz YUOOGVVQYHYXQY-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)[C@H]2C1 ZINC000305359993 491011120 /nfs/dbraw/zinc/01/11/20/491011120.db2.gz SXTCKXOSERKVJP-ZRNYENFQSA-N 2 2 348.487 1.748 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000305359993 491011122 /nfs/dbraw/zinc/01/11/22/491011122.db2.gz SXTCKXOSERKVJP-ZRNYENFQSA-N 2 2 348.487 1.748 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000305359993 491011123 /nfs/dbraw/zinc/01/11/23/491011123.db2.gz SXTCKXOSERKVJP-ZRNYENFQSA-N 2 2 348.487 1.748 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCn2cccc2)([NH+]2CCCCC2)CC1 ZINC000074067605 491167349 /nfs/dbraw/zinc/16/73/49/491167349.db2.gz GYSYCYRWSBXLQY-UHFFFAOYSA-N 2 2 332.492 1.945 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000159233784 533928313 /nfs/dbraw/zinc/92/83/13/533928313.db2.gz RESIQMXNYZFLCE-WBVHZDCISA-N 2 2 327.432 1.845 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000159233784 533928323 /nfs/dbraw/zinc/92/83/23/533928323.db2.gz RESIQMXNYZFLCE-WBVHZDCISA-N 2 2 327.432 1.845 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@H]1C[NH3+] ZINC000163872321 534028546 /nfs/dbraw/zinc/02/85/46/534028546.db2.gz KRKPMDICLYRKHF-MNOVXSKESA-N 2 2 341.253 1.699 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@H]1C[NH3+] ZINC000163872321 534028554 /nfs/dbraw/zinc/02/85/54/534028554.db2.gz KRKPMDICLYRKHF-MNOVXSKESA-N 2 2 341.253 1.699 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188695178 527167725 /nfs/dbraw/zinc/16/77/25/527167725.db2.gz ZIUVJNOABNQDIN-UHFFFAOYSA-N 2 2 338.415 1.534 20 0 EDADLP CC[N@H+](CCO)CCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000187089737 528534842 /nfs/dbraw/zinc/53/48/42/528534842.db2.gz FUPBBYTZCQTSDB-UHFFFAOYSA-N 2 2 347.463 1.348 20 0 EDADLP CC[N@@H+](CCO)CCNC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000187089737 528534851 /nfs/dbraw/zinc/53/48/51/528534851.db2.gz FUPBBYTZCQTSDB-UHFFFAOYSA-N 2 2 347.463 1.348 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C(=O)OC)ccc3F)C2)CC1 ZINC000181933751 529151343 /nfs/dbraw/zinc/15/13/43/529151343.db2.gz SQEYSEXLRDPUQB-QGZVFWFLSA-N 2 2 349.450 1.824 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C(=O)OC)ccc3F)C2)CC1 ZINC000181933751 529151344 /nfs/dbraw/zinc/15/13/44/529151344.db2.gz SQEYSEXLRDPUQB-QGZVFWFLSA-N 2 2 349.450 1.824 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NCc3ccco3)CC2)CC1 ZINC000270877769 535196901 /nfs/dbraw/zinc/19/69/01/535196901.db2.gz JVUNPUDWZIREIC-UHFFFAOYSA-N 2 2 348.491 1.386 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236947042 535705223 /nfs/dbraw/zinc/70/52/23/535705223.db2.gz PJJVJMZWXYCUCZ-LPHOPBHVSA-N 2 2 344.503 1.091 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236947042 535705227 /nfs/dbraw/zinc/70/52/27/535705227.db2.gz PJJVJMZWXYCUCZ-LPHOPBHVSA-N 2 2 344.503 1.091 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+]2CCc3sccc3C2)C1 ZINC000072886263 535762410 /nfs/dbraw/zinc/76/24/10/535762410.db2.gz MHHQVRJTVWZJCZ-HIFRSBDPSA-N 2 2 337.489 1.332 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+]2CCc3sccc3C2)C1 ZINC000072886263 535762414 /nfs/dbraw/zinc/76/24/14/535762414.db2.gz MHHQVRJTVWZJCZ-HIFRSBDPSA-N 2 2 337.489 1.332 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000072886263 535762420 /nfs/dbraw/zinc/76/24/20/535762420.db2.gz MHHQVRJTVWZJCZ-HIFRSBDPSA-N 2 2 337.489 1.332 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000072886263 535762422 /nfs/dbraw/zinc/76/24/22/535762422.db2.gz MHHQVRJTVWZJCZ-HIFRSBDPSA-N 2 2 337.489 1.332 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000340459875 535778092 /nfs/dbraw/zinc/77/80/92/535778092.db2.gz GCOAPOKZQUHLCN-KRWDZBQOSA-N 3 2 343.479 1.254 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000237019572 535951613 /nfs/dbraw/zinc/95/16/13/535951613.db2.gz JLRGAVILKQAYCI-KSSFIOAISA-N 2 2 346.475 1.579 20 0 EDADLP Cn1ccnc1[C@H]1OCCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352731965 536059140 /nfs/dbraw/zinc/05/91/40/536059140.db2.gz LPDHGSKUIKIKNA-HIFRSBDPSA-N 2 2 335.477 1.948 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CSC[NH2+]3)nc2)CC1 ZINC000262640154 536115247 /nfs/dbraw/zinc/11/52/47/536115247.db2.gz HFKVGKUPIXFEAA-CQSZACIVSA-N 2 2 335.477 1.213 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000112537841 536565481 /nfs/dbraw/zinc/56/54/81/536565481.db2.gz BZUNEVNFYCJALO-QGZVFWFLSA-N 2 2 325.497 1.727 20 0 EDADLP COCCCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000112537841 536565486 /nfs/dbraw/zinc/56/54/86/536565486.db2.gz BZUNEVNFYCJALO-QGZVFWFLSA-N 2 2 325.497 1.727 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339661087 536566491 /nfs/dbraw/zinc/56/64/91/536566491.db2.gz QAYSZISJOMFNIY-INIZCTEOSA-N 2 2 344.459 1.962 20 0 EDADLP COCCCNC(=O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339661087 536566499 /nfs/dbraw/zinc/56/64/99/536566499.db2.gz QAYSZISJOMFNIY-INIZCTEOSA-N 2 2 344.459 1.962 20 0 EDADLP CO[C@@H]1CCC[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000340302653 536624219 /nfs/dbraw/zinc/62/42/19/536624219.db2.gz PLSLZFSSYOWRIU-DOTOQJQBSA-N 2 2 325.497 1.676 20 0 EDADLP CO[C@@H]1CCC[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000340302653 536624220 /nfs/dbraw/zinc/62/42/20/536624220.db2.gz PLSLZFSSYOWRIU-DOTOQJQBSA-N 2 2 325.497 1.676 20 0 EDADLP COc1cc(C)nc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000332100266 536689145 /nfs/dbraw/zinc/68/91/45/536689145.db2.gz DVQOOMMLLVHZNJ-UHFFFAOYSA-N 2 2 335.448 1.058 20 0 EDADLP COc1cc(C)[nH+]c(CN2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000332100266 536689158 /nfs/dbraw/zinc/68/91/58/536689158.db2.gz DVQOOMMLLVHZNJ-UHFFFAOYSA-N 2 2 335.448 1.058 20 0 EDADLP COC[C@@H](NC(=O)[C@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C1CC1 ZINC000347670043 536709318 /nfs/dbraw/zinc/70/93/18/536709318.db2.gz NEGGJUMEQVQGPQ-QZTJIDSGSA-N 2 2 342.443 1.342 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000061925107 536786950 /nfs/dbraw/zinc/78/69/50/536786950.db2.gz NXVBLUFNYPYBBP-UHFFFAOYSA-N 2 2 346.435 1.035 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000061925107 536786953 /nfs/dbraw/zinc/78/69/53/536786953.db2.gz NXVBLUFNYPYBBP-UHFFFAOYSA-N 2 2 346.435 1.035 20 0 EDADLP COCCn1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000352977046 536841786 /nfs/dbraw/zinc/84/17/86/536841786.db2.gz NOOGQRJYOQJOFS-QZTJIDSGSA-N 2 2 349.523 1.520 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000741253348 579405216 /nfs/dbraw/zinc/40/52/16/579405216.db2.gz VEPGPGFZBWSGSC-GFCCVEGCSA-N 2 2 331.420 1.481 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C[C@@H]1CCC[NH+](C)C1 ZINC000741253348 579405217 /nfs/dbraw/zinc/40/52/17/579405217.db2.gz VEPGPGFZBWSGSC-GFCCVEGCSA-N 2 2 331.420 1.481 20 0 EDADLP C[NH+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000741253348 579405218 /nfs/dbraw/zinc/40/52/18/579405218.db2.gz VEPGPGFZBWSGSC-GFCCVEGCSA-N 2 2 331.420 1.481 20 0 EDADLP C[NH+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741253348 579405219 /nfs/dbraw/zinc/40/52/19/579405219.db2.gz VEPGPGFZBWSGSC-GFCCVEGCSA-N 2 2 331.420 1.481 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000725888725 578298729 /nfs/dbraw/zinc/29/87/29/578298729.db2.gz BPZRTULEKZOPBD-UHFFFAOYSA-N 2 2 334.424 1.468 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+](C)C2CCCCC2)CCO1 ZINC000726254106 578338442 /nfs/dbraw/zinc/33/84/42/578338442.db2.gz GAOIKPSBFHGOLR-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+](C)C2CCCCC2)CCO1 ZINC000726254106 578338443 /nfs/dbraw/zinc/33/84/43/578338443.db2.gz GAOIKPSBFHGOLR-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000726254106 578338444 /nfs/dbraw/zinc/33/84/44/578338444.db2.gz GAOIKPSBFHGOLR-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+](C)C2CCCCC2)CCO1 ZINC000726254106 578338445 /nfs/dbraw/zinc/33/84/45/578338445.db2.gz GAOIKPSBFHGOLR-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)CCO1 ZINC000726258293 578339911 /nfs/dbraw/zinc/33/99/11/578339911.db2.gz WEBKXAJATIKMFG-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)CCO1 ZINC000726258293 578339913 /nfs/dbraw/zinc/33/99/13/578339913.db2.gz WEBKXAJATIKMFG-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000726258293 578339914 /nfs/dbraw/zinc/33/99/14/578339914.db2.gz WEBKXAJATIKMFG-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000726258293 578339915 /nfs/dbraw/zinc/33/99/15/578339915.db2.gz WEBKXAJATIKMFG-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000726259620 578340304 /nfs/dbraw/zinc/34/03/04/578340304.db2.gz NUYHTOWFOBQWLS-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000726259620 578340306 /nfs/dbraw/zinc/34/03/06/578340306.db2.gz NUYHTOWFOBQWLS-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CS[C@@H]1CN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)C[C@@H]1[NH+](C)C ZINC000759993625 580021219 /nfs/dbraw/zinc/02/12/19/580021219.db2.gz JSWUEXANDQXZEM-UONOGXRCSA-N 2 2 337.493 1.965 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)NCCc1cn2ccccc2[nH+]1 ZINC000727071824 578514132 /nfs/dbraw/zinc/51/41/32/578514132.db2.gz GXVXALSJSBRBPF-UHFFFAOYSA-N 2 2 333.505 1.929 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cn2c1 ZINC000729500960 578578530 /nfs/dbraw/zinc/57/85/30/578578530.db2.gz CVLUMBJFVLQLKP-HOTGVXAUSA-N 2 2 343.431 1.305 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cn2c1 ZINC000729500960 578578532 /nfs/dbraw/zinc/57/85/32/578578532.db2.gz CVLUMBJFVLQLKP-HOTGVXAUSA-N 2 2 343.431 1.305 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729683719 578587256 /nfs/dbraw/zinc/58/72/56/578587256.db2.gz YHSINLNBYKPFNQ-GJZGRUSLSA-N 2 2 335.496 1.562 20 0 EDADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729683719 578587258 /nfs/dbraw/zinc/58/72/58/578587258.db2.gz YHSINLNBYKPFNQ-GJZGRUSLSA-N 2 2 335.496 1.562 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000729927263 578597957 /nfs/dbraw/zinc/59/79/57/578597957.db2.gz CLVXISCSYTZAEV-PXAZEXFGSA-N 2 2 328.403 1.775 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000729927263 578597958 /nfs/dbraw/zinc/59/79/58/578597958.db2.gz CLVXISCSYTZAEV-PXAZEXFGSA-N 2 2 328.403 1.775 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000753825344 578645424 /nfs/dbraw/zinc/64/54/24/578645424.db2.gz RVJNGAIQGHGGBE-QWHCGFSZSA-N 2 2 326.510 1.789 20 0 EDADLP CC[N@H+](CCc1ccccn1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000733194552 578751517 /nfs/dbraw/zinc/75/15/17/578751517.db2.gz ZNPOVHIEHLUDAX-UHFFFAOYSA-N 2 2 348.491 1.173 20 0 EDADLP CC[N@@H+](CCc1ccccn1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000733194552 578751518 /nfs/dbraw/zinc/75/15/18/578751518.db2.gz ZNPOVHIEHLUDAX-UHFFFAOYSA-N 2 2 348.491 1.173 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736143906 578957351 /nfs/dbraw/zinc/95/73/51/578957351.db2.gz MDXPTYXMMQJDQE-CYBMUJFWSA-N 2 2 330.436 1.144 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736143906 578957352 /nfs/dbraw/zinc/95/73/52/578957352.db2.gz MDXPTYXMMQJDQE-CYBMUJFWSA-N 2 2 330.436 1.144 20 0 EDADLP CN1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)C12CCCC2 ZINC000761297916 580054242 /nfs/dbraw/zinc/05/42/42/580054242.db2.gz CFGWQYMBFBGYIS-HNNXBMFYSA-N 2 2 334.464 1.362 20 0 EDADLP CN1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)C12CCCC2 ZINC000761297916 580054243 /nfs/dbraw/zinc/05/42/43/580054243.db2.gz CFGWQYMBFBGYIS-HNNXBMFYSA-N 2 2 334.464 1.362 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000745086737 579537625 /nfs/dbraw/zinc/53/76/25/579537625.db2.gz RYUSNOGTSSDXPO-OAHLLOKOSA-N 2 2 325.453 1.003 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000745086737 579537626 /nfs/dbraw/zinc/53/76/26/579537626.db2.gz RYUSNOGTSSDXPO-OAHLLOKOSA-N 2 2 325.453 1.003 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453881 579595001 /nfs/dbraw/zinc/59/50/01/579595001.db2.gz OPUKNFPEDZQCDE-GHMZBOCLSA-N 2 2 347.444 1.777 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453881 579595002 /nfs/dbraw/zinc/59/50/02/579595002.db2.gz OPUKNFPEDZQCDE-GHMZBOCLSA-N 2 2 347.444 1.777 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=S)NC[C@@H]3CCCO3)CC2)CC1 ZINC000747620009 579650912 /nfs/dbraw/zinc/65/09/12/579650912.db2.gz SJLWTHHATOAXOU-INIZCTEOSA-N 2 2 340.537 1.188 20 0 EDADLP O=C1c2ccc(F)cc2C(=O)N1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000749019999 579710446 /nfs/dbraw/zinc/71/04/46/579710446.db2.gz ZZLUOEBZEIMYMP-CYBMUJFWSA-N 2 2 328.347 1.913 20 0 EDADLP O=C1c2ccc(F)cc2C(=O)N1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000749019999 579710447 /nfs/dbraw/zinc/71/04/47/579710447.db2.gz ZZLUOEBZEIMYMP-CYBMUJFWSA-N 2 2 328.347 1.913 20 0 EDADLP C[NH+]1CCC(NC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)CC1 ZINC000754113841 579896930 /nfs/dbraw/zinc/89/69/30/579896930.db2.gz RNEVYYIKAUUXJC-UHFFFAOYSA-N 2 2 339.509 1.289 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)CCO1 ZINC000755981068 579940173 /nfs/dbraw/zinc/94/01/73/579940173.db2.gz QUMKERLCQZYYBE-HNNXBMFYSA-N 2 2 338.452 1.074 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccco2)CCO1 ZINC000755981068 579940174 /nfs/dbraw/zinc/94/01/74/579940174.db2.gz QUMKERLCQZYYBE-HNNXBMFYSA-N 2 2 338.452 1.074 20 0 EDADLP CC(C)CO[C@H](C)C(N)=[NH+]OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000762765850 580082480 /nfs/dbraw/zinc/08/24/80/580082480.db2.gz AUYNQSXQPFPFKI-CYBMUJFWSA-N 2 2 340.468 1.289 20 0 EDADLP C[C@H]1C[N@H+](CN2C(=O)C(C)(C)C2(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763335168 580097957 /nfs/dbraw/zinc/09/79/57/580097957.db2.gz LSNRTNXVKFMPSV-HOTGVXAUSA-N 2 2 336.524 1.549 20 0 EDADLP C[C@H]1C[N@@H+](CN2C(=O)C(C)(C)C2(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763335168 580097958 /nfs/dbraw/zinc/09/79/58/580097958.db2.gz LSNRTNXVKFMPSV-HOTGVXAUSA-N 2 2 336.524 1.549 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000765857623 580152683 /nfs/dbraw/zinc/15/26/83/580152683.db2.gz DCOYYXCCGSVBIN-CHWSQXEVSA-N 2 2 340.855 1.762 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000765857623 580152684 /nfs/dbraw/zinc/15/26/84/580152684.db2.gz DCOYYXCCGSVBIN-CHWSQXEVSA-N 2 2 340.855 1.762 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000768499562 580214780 /nfs/dbraw/zinc/21/47/80/580214780.db2.gz BBSFYCUWVPUYON-LZLYRXPVSA-N 2 2 328.460 1.771 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000768499562 580214781 /nfs/dbraw/zinc/21/47/81/580214781.db2.gz BBSFYCUWVPUYON-LZLYRXPVSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000768499562 580214782 /nfs/dbraw/zinc/21/47/82/580214782.db2.gz BBSFYCUWVPUYON-LZLYRXPVSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000768499562 580214783 /nfs/dbraw/zinc/21/47/83/580214783.db2.gz BBSFYCUWVPUYON-LZLYRXPVSA-N 2 2 328.460 1.771 20 0 EDADLP CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000770041220 580251743 /nfs/dbraw/zinc/25/17/43/580251743.db2.gz KJDWVAPCCSNWGO-QZTJIDSGSA-N 2 2 336.476 1.593 20 0 EDADLP CC(C)[N@@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000770041220 580251744 /nfs/dbraw/zinc/25/17/44/580251744.db2.gz KJDWVAPCCSNWGO-QZTJIDSGSA-N 2 2 336.476 1.593 20 0 EDADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1OC ZINC000776159699 580409991 /nfs/dbraw/zinc/40/99/91/580409991.db2.gz ZMLXVNAEFHHTEC-HZPDHXFCSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000783249223 580596529 /nfs/dbraw/zinc/59/65/29/580596529.db2.gz AQBJDXOUPNAYPH-OWCLPIDISA-N 2 2 331.464 1.670 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)C1 ZINC000784039637 580612471 /nfs/dbraw/zinc/61/24/71/580612471.db2.gz XUFDSBBHFMESKA-HUUCEWRRSA-N 2 2 348.447 1.169 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)C1 ZINC000784039637 580612472 /nfs/dbraw/zinc/61/24/72/580612472.db2.gz XUFDSBBHFMESKA-HUUCEWRRSA-N 2 2 348.447 1.169 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785446763 580644945 /nfs/dbraw/zinc/64/49/45/580644945.db2.gz UQKDEVXTOUANKA-UHFFFAOYSA-N 2 2 345.285 1.773 20 0 EDADLP Cc1nc(F)ccc1C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000785515354 580646294 /nfs/dbraw/zinc/64/62/94/580646294.db2.gz OWDITUDUZYNHIQ-AWEZNQCLSA-N 2 2 331.395 1.543 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=S)NCC(C)(C)C[NH+](C)C ZINC000788334209 580717556 /nfs/dbraw/zinc/71/75/56/580717556.db2.gz RKXMDHFRRDHNJG-CQSZACIVSA-N 2 2 330.542 1.101 20 0 EDADLP CO[C@H]1CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788381764 580720017 /nfs/dbraw/zinc/72/00/17/580720017.db2.gz HISMGZSPQKZSLZ-INIZCTEOSA-N 2 2 332.448 1.604 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCOC[C@H](C3CCC3)C2)C1 ZINC000793741952 580854235 /nfs/dbraw/zinc/85/42/35/580854235.db2.gz FBNGAKRDLBFPCF-JKSUJKDBSA-N 2 2 332.448 1.442 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCOC[C@H](C3CCC3)C2)C1 ZINC000793741952 580854236 /nfs/dbraw/zinc/85/42/36/580854236.db2.gz FBNGAKRDLBFPCF-JKSUJKDBSA-N 2 2 332.448 1.442 20 0 EDADLP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@H]1CC(C)(C)OC1=O ZINC000795667314 580933413 /nfs/dbraw/zinc/93/34/13/580933413.db2.gz RVQBRRYIXPZNMG-CWZTWBIVSA-N 2 2 338.448 1.594 20 0 EDADLP C[NH+](C/C=C/C[N@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@H]1CC(C)(C)OC1=O ZINC000795667314 580933414 /nfs/dbraw/zinc/93/34/14/580933414.db2.gz RVQBRRYIXPZNMG-CWZTWBIVSA-N 2 2 338.448 1.594 20 0 EDADLP C[NH+](C/C=C/C[N@H+](C)[C@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795667314 580933415 /nfs/dbraw/zinc/93/34/15/580933415.db2.gz RVQBRRYIXPZNMG-CWZTWBIVSA-N 2 2 338.448 1.594 20 0 EDADLP C[NH+](C/C=C/C[N@@H+](C)[C@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795667314 580933416 /nfs/dbraw/zinc/93/34/16/580933416.db2.gz RVQBRRYIXPZNMG-CWZTWBIVSA-N 2 2 338.448 1.594 20 0 EDADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCCNC1=O ZINC000795894801 580940548 /nfs/dbraw/zinc/94/05/48/580940548.db2.gz DZDFGFLULHOQSK-LJQANCHMSA-N 2 2 344.503 1.799 20 0 EDADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCCNC1=O ZINC000795894801 580940549 /nfs/dbraw/zinc/94/05/49/580940549.db2.gz DZDFGFLULHOQSK-LJQANCHMSA-N 2 2 344.503 1.799 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2COC3(CCOCC3)O2)s1 ZINC000796342454 580951451 /nfs/dbraw/zinc/95/14/51/580951451.db2.gz QGASYGSNQYEUDD-LBPRGKRZSA-N 2 2 327.450 1.216 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@H](C(F)F)C3)c2cc1C ZINC000801565673 581080129 /nfs/dbraw/zinc/08/01/29/581080129.db2.gz HEQMUXFEVLZIMS-BBRMVZONSA-N 2 2 339.386 1.980 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@H](C(F)F)C3)c2cc1C ZINC000801565673 581080130 /nfs/dbraw/zinc/08/01/30/581080130.db2.gz HEQMUXFEVLZIMS-BBRMVZONSA-N 2 2 339.386 1.980 20 0 EDADLP CCc1cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc(CC)[nH+]1 ZINC000891831346 590642902 /nfs/dbraw/zinc/64/29/02/590642902.db2.gz SZWJFJYLGYMIFP-UHFFFAOYSA-N 2 2 345.491 1.592 20 0 EDADLP O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000891906441 590680954 /nfs/dbraw/zinc/68/09/54/590680954.db2.gz MWVKMCHGGPUTSO-XJKSGUPXSA-N 2 2 331.464 1.879 20 0 EDADLP O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000891906441 590680957 /nfs/dbraw/zinc/68/09/57/590680957.db2.gz MWVKMCHGGPUTSO-XJKSGUPXSA-N 2 2 331.464 1.879 20 0 EDADLP COC[C@@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000893185149 590700124 /nfs/dbraw/zinc/70/01/24/590700124.db2.gz VGBVTEUQEXYPQH-MRXNPFEDSA-N 2 2 341.496 1.990 20 0 EDADLP CCO[C@@H]1C[C@H](Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)[C@H]1OC ZINC000893208379 590709782 /nfs/dbraw/zinc/70/97/82/590709782.db2.gz QLUBDGKMSCICFN-KYHPRHEASA-N 2 2 334.464 1.826 20 0 EDADLP CN(C)c1cc(NCc2cccnc2N2CC[NH+](C)CC2)[nH+]cn1 ZINC000892039520 590765422 /nfs/dbraw/zinc/76/54/22/590765422.db2.gz PNDVSHWIAQSXNU-UHFFFAOYSA-N 2 2 327.436 1.302 20 0 EDADLP CN(C)c1cc(NCc2cccnc2N2CC[NH+](C)CC2)nc[nH+]1 ZINC000892039520 590765426 /nfs/dbraw/zinc/76/54/26/590765426.db2.gz PNDVSHWIAQSXNU-UHFFFAOYSA-N 2 2 327.436 1.302 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]CC(C)(C)C(N)=O)CC1 ZINC000893328061 590782142 /nfs/dbraw/zinc/78/21/42/590782142.db2.gz SRHKTJUXBQBAJM-UHFFFAOYSA-N 2 2 342.484 1.077 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892090717 590794126 /nfs/dbraw/zinc/79/41/26/590794126.db2.gz HDZCPELDSCRHMO-HYVNUMGLSA-N 2 2 327.432 1.922 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000892176161 590845636 /nfs/dbraw/zinc/84/56/36/590845636.db2.gz RPLMBWCFILQQAE-SFHVURJKSA-N 2 2 343.471 1.750 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc(C)[nH+]1 ZINC000892187455 590853937 /nfs/dbraw/zinc/85/39/37/590853937.db2.gz DLGDWVXTMBKHRO-MRXNPFEDSA-N 2 2 332.448 1.656 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]31)COCC2 ZINC000892235596 590878078 /nfs/dbraw/zinc/87/80/78/590878078.db2.gz XEGLXGLVRCAODO-MZMPZRCHSA-N 2 2 334.464 1.176 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]31)COCC2 ZINC000892235596 590878082 /nfs/dbraw/zinc/87/80/82/590878082.db2.gz XEGLXGLVRCAODO-MZMPZRCHSA-N 2 2 334.464 1.176 20 0 EDADLP [NH3+]CCCOCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892293142 590919891 /nfs/dbraw/zinc/91/98/91/590919891.db2.gz RCPPXDUMFHDQAI-MRXNPFEDSA-N 2 2 331.420 1.289 20 0 EDADLP CCOC1CC(CNc2nccn3c[nH+]cc23)([NH+]2CCOCC2)C1 ZINC000893526306 590922960 /nfs/dbraw/zinc/92/29/60/590922960.db2.gz VIESNXPCGOLFIS-UHFFFAOYSA-N 2 2 331.420 1.411 20 0 EDADLP CC[C@H](CO)Nc1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)nc[nH+]1 ZINC000893564561 590963574 /nfs/dbraw/zinc/96/35/74/590963574.db2.gz RTMUETZGUINUGY-CQSZACIVSA-N 2 2 337.468 1.206 20 0 EDADLP CC[C@H](CO)Nc1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)nc[nH+]1 ZINC000893564561 590963577 /nfs/dbraw/zinc/96/35/77/590963577.db2.gz RTMUETZGUINUGY-CQSZACIVSA-N 2 2 337.468 1.206 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3nc(N)[nH+]c(C(C)(C)C)n3)CC2)c1 ZINC000892341071 590969757 /nfs/dbraw/zinc/96/97/57/590969757.db2.gz QSXNOKMUDZUUIY-UHFFFAOYSA-N 2 2 343.435 1.482 20 0 EDADLP [NH3+]CC12CCC(CC1)N2C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000892456277 591033892 /nfs/dbraw/zinc/03/38/92/591033892.db2.gz IMERTMHUYFTVPF-UHFFFAOYSA-N 2 2 329.448 1.847 20 0 EDADLP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000892474571 591040360 /nfs/dbraw/zinc/04/03/60/591040360.db2.gz MITHUCFFNSCQSQ-UHFFFAOYSA-N 2 2 329.448 1.275 20 0 EDADLP CC(C)(C)c1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000893711773 591058420 /nfs/dbraw/zinc/05/84/20/591058420.db2.gz OKIBTEIQYDKEMX-CYBMUJFWSA-N 2 2 334.468 1.300 20 0 EDADLP CN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C1(C[NH3+])CCCCC1 ZINC000891508359 591098753 /nfs/dbraw/zinc/09/87/53/591098753.db2.gz ZCVHUQTXXREHQN-UHFFFAOYSA-N 2 2 326.485 1.400 20 0 EDADLP CN(C(=O)NCC[N@H+]1CCOCC1(C)C)C1(C[NH3+])CCCCC1 ZINC000891508359 591098754 /nfs/dbraw/zinc/09/87/54/591098754.db2.gz ZCVHUQTXXREHQN-UHFFFAOYSA-N 2 2 326.485 1.400 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891507314 591100071 /nfs/dbraw/zinc/10/00/71/591100071.db2.gz PQMFLPMEUZURNM-CQSZACIVSA-N 2 2 326.485 1.175 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891507314 591100074 /nfs/dbraw/zinc/10/00/74/591100074.db2.gz PQMFLPMEUZURNM-CQSZACIVSA-N 2 2 326.485 1.175 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](c2ccncc2)C2CC2)CC1 ZINC000893865567 591120046 /nfs/dbraw/zinc/12/00/46/591120046.db2.gz GPXKNHGPFNLCFB-SFHVURJKSA-N 2 2 345.491 1.858 20 0 EDADLP C[C@@H](Cc1cccnc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000893865031 591120094 /nfs/dbraw/zinc/12/00/94/591120094.db2.gz DWNLNFZIZOYWCM-HNNXBMFYSA-N 2 2 333.480 1.338 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000891563010 591129325 /nfs/dbraw/zinc/12/93/25/591129325.db2.gz VSJSVHYYXAYBCN-HOTGVXAUSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000891563010 591129327 /nfs/dbraw/zinc/12/93/27/591129327.db2.gz VSJSVHYYXAYBCN-HOTGVXAUSA-N 2 2 343.431 1.075 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000891655540 591170849 /nfs/dbraw/zinc/17/08/49/591170849.db2.gz QJHLBRHYMASFSH-WKILWMFISA-N 2 2 327.432 1.662 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CC[NH+](Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)S1 ZINC000894054090 591179578 /nfs/dbraw/zinc/17/95/78/591179578.db2.gz QZKMDBHZQCVVQW-LLVKDONJSA-N 2 2 331.445 1.877 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891681442 591182105 /nfs/dbraw/zinc/18/21/05/591182105.db2.gz MJSDTIAWDRWSQE-KRWDZBQOSA-N 2 2 335.411 1.848 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc3oc(=O)oc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894075575 591187465 /nfs/dbraw/zinc/18/74/65/591187465.db2.gz FTAQKVNYTYFGFA-GOEBONIOSA-N 2 2 345.443 1.844 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc3oc(=O)oc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894075575 591187467 /nfs/dbraw/zinc/18/74/67/591187467.db2.gz FTAQKVNYTYFGFA-GOEBONIOSA-N 2 2 345.443 1.844 20 0 EDADLP Cc1noc2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc12 ZINC000894076659 591187986 /nfs/dbraw/zinc/18/79/86/591187986.db2.gz SWIIOQSHWFHVGO-KSSFIOAISA-N 2 2 343.475 1.989 20 0 EDADLP Cc1noc2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc12 ZINC000894076659 591187989 /nfs/dbraw/zinc/18/79/89/591187989.db2.gz SWIIOQSHWFHVGO-KSSFIOAISA-N 2 2 343.475 1.989 20 0 EDADLP O=S1(=O)CCC([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000895646403 591236889 /nfs/dbraw/zinc/23/68/89/591236889.db2.gz HYFBUSXRFGJVIG-SFHVURJKSA-N 2 2 349.500 1.960 20 0 EDADLP O=S1(=O)CCC([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000895646403 591236891 /nfs/dbraw/zinc/23/68/91/591236891.db2.gz HYFBUSXRFGJVIG-SFHVURJKSA-N 2 2 349.500 1.960 20 0 EDADLP Fc1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(F)cn1 ZINC000895684533 591252705 /nfs/dbraw/zinc/25/27/05/591252705.db2.gz DPMSPZUZKYGBQC-HNNXBMFYSA-N 2 2 340.418 1.246 20 0 EDADLP C[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nn1)C[NH+]1CCOCC1 ZINC000893027977 591259572 /nfs/dbraw/zinc/25/95/72/591259572.db2.gz BIJPWRYGPSIBNI-INIZCTEOSA-N 2 2 329.448 1.384 20 0 EDADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000895821192 591280939 /nfs/dbraw/zinc/28/09/39/591280939.db2.gz DDCRAMHOPNCRSY-UHFFFAOYSA-N 2 2 337.489 1.784 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)nc[nH+]1 ZINC000894350990 591287013 /nfs/dbraw/zinc/28/70/13/591287013.db2.gz XIEQNRUYUMDUMW-ZNMIVQPWSA-N 2 2 337.468 1.205 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)nc[nH+]1 ZINC000894350990 591287014 /nfs/dbraw/zinc/28/70/14/591287014.db2.gz XIEQNRUYUMDUMW-ZNMIVQPWSA-N 2 2 337.468 1.205 20 0 EDADLP COCCOCC[NH+]1CCN(c2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000894405927 591303724 /nfs/dbraw/zinc/30/37/24/591303724.db2.gz CFWUWVVARRJOQA-UHFFFAOYSA-N 2 2 334.464 1.838 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000896044240 591330175 /nfs/dbraw/zinc/33/01/75/591330175.db2.gz XTWUXZYHQDWSSR-QAPCUYQASA-N 2 2 349.475 1.571 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000896044240 591330176 /nfs/dbraw/zinc/33/01/76/591330176.db2.gz XTWUXZYHQDWSSR-QAPCUYQASA-N 2 2 349.475 1.571 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000896221716 591386863 /nfs/dbraw/zinc/38/68/63/591386863.db2.gz VDOVJBBPTFWYAZ-BHIYHBOVSA-N 2 2 344.503 1.432 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000896221716 591386869 /nfs/dbraw/zinc/38/68/69/591386869.db2.gz VDOVJBBPTFWYAZ-BHIYHBOVSA-N 2 2 344.503 1.432 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)[C@@H]2C1 ZINC000896480017 591479090 /nfs/dbraw/zinc/47/90/90/591479090.db2.gz UFJMXAZAIKNLBA-OKZBNKHCSA-N 2 2 339.443 1.970 20 0 EDADLP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898721829 591489307 /nfs/dbraw/zinc/48/93/07/591489307.db2.gz WBHNYYBVCHLJIJ-QWRGUYRKSA-N 2 2 336.237 1.971 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000897510516 591511246 /nfs/dbraw/zinc/51/12/46/591511246.db2.gz VSCRLHSDCKHHLQ-MOPGFXCFSA-N 2 2 337.508 1.330 20 0 EDADLP C(C[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)CC1)N1CCOCC1 ZINC000897510516 591511251 /nfs/dbraw/zinc/51/12/51/591511251.db2.gz VSCRLHSDCKHHLQ-MOPGFXCFSA-N 2 2 337.508 1.330 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n[nH]1 ZINC000897601508 591578981 /nfs/dbraw/zinc/57/89/81/591578981.db2.gz NNDROSMATAWITN-PBHICJAKSA-N 2 2 341.415 1.865 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)n[nH]1 ZINC000897601508 591578985 /nfs/dbraw/zinc/57/89/85/591578985.db2.gz NNDROSMATAWITN-PBHICJAKSA-N 2 2 341.415 1.865 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897736185 591656959 /nfs/dbraw/zinc/65/69/59/591656959.db2.gz YBOHHZFMRUJCTI-CKEIUWERSA-N 2 2 347.463 1.112 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000897736185 591656962 /nfs/dbraw/zinc/65/69/62/591656962.db2.gz YBOHHZFMRUJCTI-CKEIUWERSA-N 2 2 347.463 1.112 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)OCCO2 ZINC000897229070 591778862 /nfs/dbraw/zinc/77/88/62/591778862.db2.gz RAHIZGHEMOFMRI-ARFHVFGLSA-N 2 2 328.428 1.463 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)OCCO2 ZINC000897229070 591778866 /nfs/dbraw/zinc/77/88/66/591778866.db2.gz RAHIZGHEMOFMRI-ARFHVFGLSA-N 2 2 328.428 1.463 20 0 EDADLP CC[C@H]1C[C@H](C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCO1 ZINC000895550336 591803259 /nfs/dbraw/zinc/80/32/59/591803259.db2.gz HDFIYNBMPDPKDY-SJORKVTESA-N 2 2 337.508 1.997 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C12CC[NH+](CC1)C2 ZINC000900015278 591867158 /nfs/dbraw/zinc/86/71/58/591867158.db2.gz DNDPLZPMIFXBSO-KRWDZBQOSA-N 2 2 329.444 1.272 20 0 EDADLP C/C(=C/C(=O)NCc1cccnc1-n1ccnc1)C[NH+]1CCOCC1 ZINC000900111745 591911986 /nfs/dbraw/zinc/91/19/86/591911986.db2.gz GZIVACDQYCVFJX-PTNGSMBKSA-N 2 2 341.415 1.162 20 0 EDADLP C/C(=C/C(=O)NCc1cccnc1-n1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000900111745 591911991 /nfs/dbraw/zinc/91/19/91/591911991.db2.gz GZIVACDQYCVFJX-PTNGSMBKSA-N 2 2 341.415 1.162 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)c[nH+]2)CC1 ZINC000900233737 591949602 /nfs/dbraw/zinc/94/96/02/591949602.db2.gz ZNVMJCHROAKONU-VQIMIIECSA-N 2 2 346.475 1.389 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)c[nH+]2)CC1 ZINC000900233737 591949603 /nfs/dbraw/zinc/94/96/03/591949603.db2.gz ZNVMJCHROAKONU-VQIMIIECSA-N 2 2 346.475 1.389 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](CN3CCN(C4CCCC4)C3=O)CC2)CC1 ZINC000902352486 591984658 /nfs/dbraw/zinc/98/46/58/591984658.db2.gz LMIWYGKIPPDCMR-UHFFFAOYSA-N 2 2 349.523 1.336 20 0 EDADLP C/C(=C\C(=O)NCC[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900337064 591988350 /nfs/dbraw/zinc/98/83/50/591988350.db2.gz ADUHWMLYPLYSNG-SAPNQHFASA-N 2 2 331.460 1.513 20 0 EDADLP C/C(=C\C(=O)NCC[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900337064 591988351 /nfs/dbraw/zinc/98/83/51/591988351.db2.gz ADUHWMLYPLYSNG-SAPNQHFASA-N 2 2 331.460 1.513 20 0 EDADLP CC(C)c1nc(NC[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)nc(N(C)C)[nH+]1 ZINC000900362633 591995443 /nfs/dbraw/zinc/99/54/43/591995443.db2.gz OZXDPKDHIPYYHP-GFCCVEGCSA-N 2 2 348.451 1.158 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CC[NH2+]CC[NH2+]CC2)cc[nH+]1 ZINC000900368846 591998655 /nfs/dbraw/zinc/99/86/55/591998655.db2.gz LUNCXJWOLOXGLW-NVXWUHKLSA-N 3 2 348.495 1.091 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)[C@@H]1CCC[NH2+]1 ZINC000902514221 592008180 /nfs/dbraw/zinc/00/81/80/592008180.db2.gz MQYATEONLAKFGG-CVEARBPZSA-N 2 2 325.478 1.703 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@]4(C3)CCCC[NH2+]4)nc[nH+]2)C1 ZINC000900401025 592008450 /nfs/dbraw/zinc/00/84/50/592008450.db2.gz SXQUKXUATKSEPA-HDMKZQKVSA-N 2 2 331.464 1.406 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000902518090 592009189 /nfs/dbraw/zinc/00/91/89/592009189.db2.gz KKDRLORXSWPDDD-FRRDWIJNSA-N 2 2 339.871 1.925 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900410413 592010521 /nfs/dbraw/zinc/01/05/21/592010521.db2.gz SWGLLZCOTUPZEZ-JKSUJKDBSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900410413 592010524 /nfs/dbraw/zinc/01/05/24/592010524.db2.gz SWGLLZCOTUPZEZ-JKSUJKDBSA-N 2 2 325.416 1.900 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC000900575235 592056611 /nfs/dbraw/zinc/05/66/11/592056611.db2.gz XMTPGKXXYUKNLE-MRXNPFEDSA-N 2 2 343.471 1.996 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900589558 592061073 /nfs/dbraw/zinc/06/10/73/592061073.db2.gz KXUHEASHNQYRFI-QGZVFWFLSA-N 2 2 327.432 1.819 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900589558 592061076 /nfs/dbraw/zinc/06/10/76/592061076.db2.gz KXUHEASHNQYRFI-QGZVFWFLSA-N 2 2 327.432 1.819 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902777388 592061361 /nfs/dbraw/zinc/06/13/61/592061361.db2.gz XPEYMGZXWYWABR-HOCLYGCPSA-N 2 2 348.472 1.947 20 0 EDADLP CN(C(=O)CC(F)(F)C(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668689 592086810 /nfs/dbraw/zinc/08/68/10/592086810.db2.gz FULGSOSQXVCIEF-LBPRGKRZSA-N 2 2 339.377 1.904 20 0 EDADLP CN(C(=O)CC(F)(F)C(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668689 592086813 /nfs/dbraw/zinc/08/68/13/592086813.db2.gz FULGSOSQXVCIEF-LBPRGKRZSA-N 2 2 339.377 1.904 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900674785 592091072 /nfs/dbraw/zinc/09/10/72/592091072.db2.gz ZYMHEEORUBSFFG-UHFFFAOYSA-N 2 2 341.521 1.042 20 0 EDADLP CO[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000903085943 592118093 /nfs/dbraw/zinc/11/80/93/592118093.db2.gz IZEZYJPLQRTGGQ-JKSUJKDBSA-N 2 2 332.448 1.277 20 0 EDADLP c1ccc([C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C2CC2)nc1 ZINC000903098192 592120221 /nfs/dbraw/zinc/12/02/21/592120221.db2.gz LYNRMNDNZOOMFJ-HKUYNNGSSA-N 2 2 330.476 1.529 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000900813720 592134690 /nfs/dbraw/zinc/13/46/90/592134690.db2.gz GOHFXCUOMHEITI-IBGZPJMESA-N 2 2 342.443 1.610 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000900813720 592134691 /nfs/dbraw/zinc/13/46/91/592134691.db2.gz GOHFXCUOMHEITI-IBGZPJMESA-N 2 2 342.443 1.610 20 0 EDADLP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900801533 592143345 /nfs/dbraw/zinc/14/33/45/592143345.db2.gz BLYKBNVFEOTNKS-PBHICJAKSA-N 2 2 343.475 1.655 20 0 EDADLP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900801533 592143347 /nfs/dbraw/zinc/14/33/47/592143347.db2.gz BLYKBNVFEOTNKS-PBHICJAKSA-N 2 2 343.475 1.655 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000903433249 592168810 /nfs/dbraw/zinc/16/88/10/592168810.db2.gz WZISAEBSJHKIOZ-CABCVRRESA-N 2 2 340.489 1.646 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000903433249 592168813 /nfs/dbraw/zinc/16/88/13/592168813.db2.gz WZISAEBSJHKIOZ-CABCVRRESA-N 2 2 340.489 1.646 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000903449592 592173755 /nfs/dbraw/zinc/17/37/55/592173755.db2.gz VJPABCGNLPRNLV-RYRKJORJSA-N 2 2 349.425 1.932 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000903449592 592173756 /nfs/dbraw/zinc/17/37/56/592173756.db2.gz VJPABCGNLPRNLV-RYRKJORJSA-N 2 2 349.425 1.932 20 0 EDADLP CN(C)c1cc(NC(=O)C2CCC([NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000900948561 592173835 /nfs/dbraw/zinc/17/38/35/592173835.db2.gz CNWOSWTXZQNINZ-UHFFFAOYSA-N 2 2 332.448 1.977 20 0 EDADLP CCCOc1ccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903472231 592175655 /nfs/dbraw/zinc/17/56/55/592175655.db2.gz YCMDNBOPMGXNFL-QGZVFWFLSA-N 2 2 331.460 1.966 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903485729 592177960 /nfs/dbraw/zinc/17/79/60/592177960.db2.gz PMWHBSSBSIHMCU-INIZCTEOSA-N 2 2 337.489 1.701 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903466422 592178700 /nfs/dbraw/zinc/17/87/00/592178700.db2.gz SJGDZLSAVBOFTN-AWEZNQCLSA-N 2 2 332.404 1.218 20 0 EDADLP CC1(C)CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1[NH3+] ZINC000903556014 592218028 /nfs/dbraw/zinc/21/80/28/592218028.db2.gz KCERNGOSRADLJV-OAHLLOKOSA-N 2 2 336.505 1.061 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000901117967 592238553 /nfs/dbraw/zinc/23/85/53/592238553.db2.gz MXYMUXSCIDRTSD-DLBZAZTESA-N 2 2 346.475 1.929 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4[nH]ccc4n3)C2)CC1 ZINC000906661600 592270889 /nfs/dbraw/zinc/27/08/89/592270889.db2.gz SEOTTYBBQSBYLU-CYBMUJFWSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4[nH]ccc4n3)C2)CC1 ZINC000906661600 592270894 /nfs/dbraw/zinc/27/08/94/592270894.db2.gz SEOTTYBBQSBYLU-CYBMUJFWSA-N 2 2 327.432 1.461 20 0 EDADLP CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717964 592280875 /nfs/dbraw/zinc/28/08/75/592280875.db2.gz GNAWDYSXLVDIAX-KUHUBIRLSA-N 2 2 342.443 1.926 20 0 EDADLP CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717964 592280880 /nfs/dbraw/zinc/28/08/80/592280880.db2.gz GNAWDYSXLVDIAX-KUHUBIRLSA-N 2 2 342.443 1.926 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901200691 592283448 /nfs/dbraw/zinc/28/34/48/592283448.db2.gz IPYADGINEPRRSH-ZWKOTPCHSA-N 3 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901200691 592283450 /nfs/dbraw/zinc/28/34/50/592283450.db2.gz IPYADGINEPRRSH-ZWKOTPCHSA-N 3 2 347.507 1.748 20 0 EDADLP COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766143 592308936 /nfs/dbraw/zinc/30/89/36/592308936.db2.gz PNPIEFYYCSUBSS-JENIJYKNSA-N 2 2 348.443 1.610 20 0 EDADLP COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766143 592308939 /nfs/dbraw/zinc/30/89/39/592308939.db2.gz PNPIEFYYCSUBSS-JENIJYKNSA-N 2 2 348.443 1.610 20 0 EDADLP O=C1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](c2ccccc2)CN1 ZINC000903788479 592322963 /nfs/dbraw/zinc/32/29/63/592322963.db2.gz LUHVJJDDELFIFG-SJORKVTESA-N 2 2 329.444 1.318 20 0 EDADLP O=C1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](c2ccccc2)CN1 ZINC000903788479 592322969 /nfs/dbraw/zinc/32/29/69/592322969.db2.gz LUHVJJDDELFIFG-SJORKVTESA-N 2 2 329.444 1.318 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903816225 592324739 /nfs/dbraw/zinc/32/47/39/592324739.db2.gz WPTUHWNVQPVWLK-HNNXBMFYSA-N 2 2 332.510 1.421 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903816225 592324742 /nfs/dbraw/zinc/32/47/42/592324742.db2.gz WPTUHWNVQPVWLK-HNNXBMFYSA-N 2 2 332.510 1.421 20 0 EDADLP COc1ccc(C[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1F ZINC000903878210 592358941 /nfs/dbraw/zinc/35/89/41/592358941.db2.gz SPUWEMYTPIUTQJ-AWEZNQCLSA-N 2 2 333.411 1.982 20 0 EDADLP COc1ccc(C[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1F ZINC000903878210 592358947 /nfs/dbraw/zinc/35/89/47/592358947.db2.gz SPUWEMYTPIUTQJ-AWEZNQCLSA-N 2 2 333.411 1.982 20 0 EDADLP CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903914676 592365013 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1.025 20 0 EDADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000904301135 592471601 /nfs/dbraw/zinc/47/16/01/592471601.db2.gz HPEUCSAVSZZNOP-YESZJQIVSA-N 3 2 338.540 1.720 20 0 EDADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000904301135 592471602 /nfs/dbraw/zinc/47/16/02/592471602.db2.gz HPEUCSAVSZZNOP-YESZJQIVSA-N 3 2 338.540 1.720 20 0 EDADLP [NH3+]C1CC[NH+](CCNC(=O)c2ncc(Br)s2)CC1 ZINC000905294499 592487168 /nfs/dbraw/zinc/48/71/68/592487168.db2.gz VSAREEDGQITUMG-UHFFFAOYSA-N 2 2 333.255 1.059 20 0 EDADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@@H](O)C3(O)CCC3)cc2)CC1 ZINC000905330023 592507616 /nfs/dbraw/zinc/50/76/16/592507616.db2.gz OEXCLBHBEAAVHI-GOSISDBHSA-N 2 2 333.476 1.905 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000905447712 592528634 /nfs/dbraw/zinc/52/86/34/592528634.db2.gz TVIGQPBUSUJSMU-OALUTQOASA-N 2 2 333.476 1.106 20 0 EDADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1 ZINC000905525821 592561442 /nfs/dbraw/zinc/56/14/42/592561442.db2.gz RDBHUISGUSMAAQ-QGZVFWFLSA-N 2 2 338.452 1.513 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)nc[nH+]2)C1 ZINC000905710921 592619355 /nfs/dbraw/zinc/61/93/55/592619355.db2.gz PWXNZWWBQAHHMD-WRWGMCAJSA-N 2 2 345.369 1.010 20 0 EDADLP CN(C)c1cc[nH+]c(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000905848967 592664530 /nfs/dbraw/zinc/66/45/30/592664530.db2.gz AQZGOYHIGGXFEV-MRXNPFEDSA-N 2 2 332.835 1.987 20 0 EDADLP Cn1ccc(-n2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nn2)n1 ZINC000906280058 592773285 /nfs/dbraw/zinc/77/32/85/592773285.db2.gz IFRVEDJBSMDWCZ-YOEHRIQHSA-N 2 2 341.463 1.450 20 0 EDADLP Cn1ccc(-n2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nn2)n1 ZINC000906280058 592773286 /nfs/dbraw/zinc/77/32/86/592773286.db2.gz IFRVEDJBSMDWCZ-YOEHRIQHSA-N 2 2 341.463 1.450 20 0 EDADLP Cn1ccc(-n2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nn2)n1 ZINC000906280058 592773287 /nfs/dbraw/zinc/77/32/87/592773287.db2.gz IFRVEDJBSMDWCZ-YOEHRIQHSA-N 2 2 341.463 1.450 20 0 EDADLP Cn1ccc(-n2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nn2)n1 ZINC000906280058 592773288 /nfs/dbraw/zinc/77/32/88/592773288.db2.gz IFRVEDJBSMDWCZ-YOEHRIQHSA-N 2 2 341.463 1.450 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)n[nH]1 ZINC000907793070 592797472 /nfs/dbraw/zinc/79/74/72/592797472.db2.gz IZDDZWLHJHBZOT-UHOFOFEASA-N 2 2 335.427 1.435 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)n[nH]1 ZINC000907793070 592797474 /nfs/dbraw/zinc/79/74/74/592797474.db2.gz IZDDZWLHJHBZOT-UHOFOFEASA-N 2 2 335.427 1.435 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C3(C[NH+](C)C)CC3)ccc2n1C(CO)CO ZINC000909308805 592805312 /nfs/dbraw/zinc/80/53/12/592805312.db2.gz ZFOZNKSFMVUAOM-UHFFFAOYSA-N 2 2 346.431 1.151 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)C2CN(C)CC[N@H+](C)C2)c1C ZINC000906453768 592825421 /nfs/dbraw/zinc/82/54/21/592825421.db2.gz LGWPSVVRZDJMNE-UHFFFAOYSA-N 2 2 334.464 1.159 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)C2CN(C)CC[N@@H+](C)C2)c1C ZINC000906453768 592825422 /nfs/dbraw/zinc/82/54/22/592825422.db2.gz LGWPSVVRZDJMNE-UHFFFAOYSA-N 2 2 334.464 1.159 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000910839665 592895526 /nfs/dbraw/zinc/89/55/26/592895526.db2.gz DZMFWDCCXWWYAW-CABCVRRESA-N 2 2 347.463 1.026 20 0 EDADLP CC[C@@H](O)[C@@H](C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190060 592945799 /nfs/dbraw/zinc/94/57/99/592945799.db2.gz GDRTXYCIYMJTIX-NVXWUHKLSA-N 2 2 325.497 1.412 20 0 EDADLP CC[C@@H](O)[C@@H](C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190060 592945800 /nfs/dbraw/zinc/94/58/00/592945800.db2.gz GDRTXYCIYMJTIX-NVXWUHKLSA-N 2 2 325.497 1.412 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000911842587 593021792 /nfs/dbraw/zinc/02/17/92/593021792.db2.gz GRVIGDGJONCOMM-CABCVRRESA-N 2 2 332.448 1.661 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000911962518 593041977 /nfs/dbraw/zinc/04/19/77/593041977.db2.gz UEOIVIUAKKEXMF-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP C[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000911962518 593041979 /nfs/dbraw/zinc/04/19/79/593041979.db2.gz UEOIVIUAKKEXMF-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)C[NH2+]CC[NH3+] ZINC000912015105 593052216 /nfs/dbraw/zinc/05/22/16/593052216.db2.gz UWEQLCYDYNWIKN-UHFFFAOYSA-N 2 2 346.353 1.041 20 0 EDADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C[C@@H]1C ZINC000912023683 593053299 /nfs/dbraw/zinc/05/32/99/593053299.db2.gz HNJDRMIUQQNEEO-SOLBZPMBSA-N 2 2 330.476 1.987 20 0 EDADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C[C@@H]1C ZINC000912023683 593053300 /nfs/dbraw/zinc/05/33/00/593053300.db2.gz HNJDRMIUQQNEEO-SOLBZPMBSA-N 2 2 330.476 1.987 20 0 EDADLP CC[NH+]1[C@H](C)CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1C ZINC000912023683 593053303 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QFXKPFBDBHCDLY-JKSUJKDBSA-N 2 2 342.447 1.821 20 0 EDADLP Cn1cc([C@H]2N(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172365 593233642 /nfs/dbraw/zinc/23/36/42/593233642.db2.gz RRXYVMJPDFWYCV-DJIMGWMZSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172365 593233645 /nfs/dbraw/zinc/23/36/45/593233645.db2.gz RRXYVMJPDFWYCV-DJIMGWMZSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172365 593233648 /nfs/dbraw/zinc/23/36/48/593233648.db2.gz RRXYVMJPDFWYCV-DJIMGWMZSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@H]2N(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172365 593233650 /nfs/dbraw/zinc/23/36/50/593233650.db2.gz RRXYVMJPDFWYCV-DJIMGWMZSA-N 2 2 345.491 1.703 20 0 EDADLP CC[C@@]1(C)CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000808173284 593233840 /nfs/dbraw/zinc/23/38/40/593233840.db2.gz FDUDZZIKYVLQFX-WMWLNJEOSA-N 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C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)[C@]4(CCCO4)[C@H]3C3CC3)CC[C@H]21 ZINC000840025812 593389105 /nfs/dbraw/zinc/38/91/05/593389105.db2.gz DUQYYKSYAAWVJK-MTNOOBJLSA-N 2 2 333.476 1.530 20 0 EDADLP CC(C)n1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1N ZINC000757939596 593389626 /nfs/dbraw/zinc/38/96/26/593389626.db2.gz PSFHOANREBXEKP-UHFFFAOYSA-N 2 2 348.495 1.335 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000812748679 593508561 /nfs/dbraw/zinc/50/85/61/593508561.db2.gz RJTIXBZXDJIGHS-HNNXBMFYSA-N 2 2 341.452 1.224 20 0 EDADLP O=C1COc2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)cc2N1 ZINC000816533942 593530625 /nfs/dbraw/zinc/53/06/25/593530625.db2.gz PUEDYVNZKBHGME-UHFFFAOYSA-N 2 2 335.367 1.888 20 0 EDADLP Oc1ccc(F)c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1F ZINC000816549168 593531129 /nfs/dbraw/zinc/53/11/29/593531129.db2.gz GQHBEDQRVHGRJD-CYBMUJFWSA-N 2 2 341.402 1.167 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000813614428 593543501 /nfs/dbraw/zinc/54/35/01/593543501.db2.gz JCPADQGMAXNALJ-GOSISDBHSA-N 2 2 332.448 1.944 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000813614428 593543503 /nfs/dbraw/zinc/54/35/03/593543503.db2.gz JCPADQGMAXNALJ-GOSISDBHSA-N 2 2 332.448 1.944 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Cc3[nH]cc[nH+]3)c2)CCO1 ZINC000816902490 593556648 /nfs/dbraw/zinc/55/66/48/593556648.db2.gz ULNIGGCNDVFUSU-AWEZNQCLSA-N 2 2 328.416 1.489 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Cc3[nH]cc[nH+]3)c2)CCO1 ZINC000816902490 593556649 /nfs/dbraw/zinc/55/66/49/593556649.db2.gz ULNIGGCNDVFUSU-AWEZNQCLSA-N 2 2 328.416 1.489 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)S1 ZINC000815072362 593613653 /nfs/dbraw/zinc/61/36/53/593613653.db2.gz JZSXWOMZGWIRQG-CJNGLKHVSA-N 2 2 337.464 1.838 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)OC(C)=O)CC2)CC1 ZINC000817656797 593620483 /nfs/dbraw/zinc/62/04/83/593620483.db2.gz PYHGZQJENKLZIJ-UHFFFAOYSA-N 2 2 339.480 1.347 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)OC(C)=O)CC2)CC1 ZINC000817656797 593620484 /nfs/dbraw/zinc/62/04/84/593620484.db2.gz PYHGZQJENKLZIJ-UHFFFAOYSA-N 2 2 339.480 1.347 20 0 EDADLP COc1ccccc1[C@H](N[C@H](C)C[C@@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000817901744 593647147 /nfs/dbraw/zinc/64/71/47/593647147.db2.gz XXVVFJGGFVLLMH-RKVPGOIHSA-N 2 2 344.459 1.875 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820481781 593822817 /nfs/dbraw/zinc/82/28/17/593822817.db2.gz ZZPXAOVSMSSDAH-GFCCVEGCSA-N 2 2 348.426 1.283 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820481781 593822818 /nfs/dbraw/zinc/82/28/18/593822818.db2.gz ZZPXAOVSMSSDAH-GFCCVEGCSA-N 2 2 348.426 1.283 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553281 594037695 /nfs/dbraw/zinc/03/76/95/594037695.db2.gz BAGQQSBZKGVXIH-CMPLNLGQSA-N 2 2 327.367 1.868 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824569231 594039932 /nfs/dbraw/zinc/03/99/32/594039932.db2.gz GLECDNRUUIKYCL-BBRMVZONSA-N 2 2 330.436 1.364 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822691843 594086629 /nfs/dbraw/zinc/08/66/29/594086629.db2.gz PVEDHIHZAHRAPV-OLZOCXBDSA-N 2 2 334.291 1.809 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822691843 594086631 /nfs/dbraw/zinc/08/66/31/594086631.db2.gz PVEDHIHZAHRAPV-OLZOCXBDSA-N 2 2 334.291 1.809 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000825326839 594167544 /nfs/dbraw/zinc/16/75/44/594167544.db2.gz FNHSVWFOIOJDIX-ZDUSSCGKSA-N 2 2 337.431 1.981 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000825326839 594167546 /nfs/dbraw/zinc/16/75/46/594167546.db2.gz FNHSVWFOIOJDIX-ZDUSSCGKSA-N 2 2 337.431 1.981 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825450496 594186730 /nfs/dbraw/zinc/18/67/30/594186730.db2.gz AEGIWBQYSJPQIA-CABCVRRESA-N 2 2 342.447 1.934 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825450496 594186731 /nfs/dbraw/zinc/18/67/31/594186731.db2.gz AEGIWBQYSJPQIA-CABCVRRESA-N 2 2 342.447 1.934 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825450496 594186732 /nfs/dbraw/zinc/18/67/32/594186732.db2.gz AEGIWBQYSJPQIA-CABCVRRESA-N 2 2 342.447 1.934 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825450496 594186733 /nfs/dbraw/zinc/18/67/33/594186733.db2.gz AEGIWBQYSJPQIA-CABCVRRESA-N 2 2 342.447 1.934 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)c2cccs2)CC1 ZINC000825795689 594248885 /nfs/dbraw/zinc/24/88/85/594248885.db2.gz OYLDNDSECJNZIE-GJZGRUSLSA-N 2 2 336.505 1.280 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1ncc[nH]1 ZINC000829780629 594263012 /nfs/dbraw/zinc/26/30/12/594263012.db2.gz ZUZJJZBKDUJDLT-UHFFFAOYSA-N 2 2 347.507 1.607 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000829780629 594263015 /nfs/dbraw/zinc/26/30/15/594263015.db2.gz ZUZJJZBKDUJDLT-UHFFFAOYSA-N 3 2 347.507 1.607 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825938888 594286253 /nfs/dbraw/zinc/28/62/53/594286253.db2.gz YMYAIXVSGQPUGK-UHFFFAOYSA-N 2 2 340.391 1.024 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825938888 594286254 /nfs/dbraw/zinc/28/62/54/594286254.db2.gz YMYAIXVSGQPUGK-UHFFFAOYSA-N 2 2 340.391 1.024 20 0 EDADLP C[C@H](C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1)[NH+](C)C ZINC000830246910 594362001 /nfs/dbraw/zinc/36/20/01/594362001.db2.gz ILTAQVPYLSITGF-GFCCVEGCSA-N 2 2 347.488 1.937 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000826182430 594366443 /nfs/dbraw/zinc/36/64/43/594366443.db2.gz JPCXDNNJWDRJHC-UHFFFAOYSA-N 2 2 342.447 1.936 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000826182430 594366445 /nfs/dbraw/zinc/36/64/45/594366445.db2.gz JPCXDNNJWDRJHC-UHFFFAOYSA-N 2 2 342.447 1.936 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000828335752 594394877 /nfs/dbraw/zinc/39/48/77/594394877.db2.gz HNLMDBLVKDKBEV-UHFFFAOYSA-N 2 2 336.399 1.353 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000826556225 594525050 /nfs/dbraw/zinc/52/50/50/594525050.db2.gz FEPJPAZCFSJEKA-QGZVFWFLSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000826556225 594525052 /nfs/dbraw/zinc/52/50/52/594525052.db2.gz FEPJPAZCFSJEKA-QGZVFWFLSA-N 2 2 342.443 1.668 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccc(C)cc2)CCO1)C1CC1 ZINC000826596554 594535266 /nfs/dbraw/zinc/53/52/66/594535266.db2.gz CPBDTBDOIQVKBK-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccc(C)cc2)CCO1)C1CC1 ZINC000826596554 594535268 /nfs/dbraw/zinc/53/52/68/594535268.db2.gz CPBDTBDOIQVKBK-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)C1CC1 ZINC000826596554 594535269 /nfs/dbraw/zinc/53/52/69/594535269.db2.gz CPBDTBDOIQVKBK-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)C1CC1 ZINC000826596554 594535271 /nfs/dbraw/zinc/53/52/71/594535271.db2.gz CPBDTBDOIQVKBK-IBGZPJMESA-N 2 2 345.487 1.796 20 0 EDADLP C[NH+](C)CCOc1ccc(CCC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000827424127 594670419 /nfs/dbraw/zinc/67/04/19/594670419.db2.gz VUDPPCCTTOOOIO-QGZVFWFLSA-N 2 2 349.475 1.006 20 0 EDADLP C[NH+](C)CCOc1ccc(CCC(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000827424127 594670420 /nfs/dbraw/zinc/67/04/20/594670420.db2.gz VUDPPCCTTOOOIO-QGZVFWFLSA-N 2 2 349.475 1.006 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1OC(=O)C1CC1 ZINC000841086543 594849260 /nfs/dbraw/zinc/84/92/60/594849260.db2.gz ONEYDMYMWAGJPP-OAHLLOKOSA-N 2 2 334.416 1.479 20 0 EDADLP C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000836283135 594946629 /nfs/dbraw/zinc/94/66/29/594946629.db2.gz XGGIRHROLTXDQX-HNNXBMFYSA-N 2 2 339.443 1.836 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841789247 594953045 /nfs/dbraw/zinc/95/30/45/594953045.db2.gz WNBXPLOYVOKRQC-UHFFFAOYSA-N 2 2 334.464 1.098 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841789247 594953046 /nfs/dbraw/zinc/95/30/46/594953046.db2.gz WNBXPLOYVOKRQC-UHFFFAOYSA-N 2 2 334.464 1.098 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)C1 ZINC000836515413 594970787 /nfs/dbraw/zinc/97/07/87/594970787.db2.gz BQIUNXDFIMHTGV-LSDHHAIUSA-N 2 2 335.452 1.470 20 0 EDADLP [NH2+]=C(NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1COc2ccccc2O1 ZINC000842036767 595006817 /nfs/dbraw/zinc/00/68/17/595006817.db2.gz XEBYXGCAZXIVLO-DVOMOZLQSA-N 2 2 333.388 1.188 20 0 EDADLP [NH2+]=C(NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1COc2ccccc2O1 ZINC000842036767 595006819 /nfs/dbraw/zinc/00/68/19/595006819.db2.gz XEBYXGCAZXIVLO-DVOMOZLQSA-N 2 2 333.388 1.188 20 0 EDADLP CCn1nncc1CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000842040186 595007536 /nfs/dbraw/zinc/00/75/36/595007536.db2.gz VZJUKTURUSXKPK-MRXNPFEDSA-N 2 2 344.419 1.197 20 0 EDADLP CCn1nncc1CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000842040186 595007541 /nfs/dbraw/zinc/00/75/41/595007541.db2.gz VZJUKTURUSXKPK-MRXNPFEDSA-N 2 2 344.419 1.197 20 0 EDADLP CC[C@H](C)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000843310141 595070284 /nfs/dbraw/zinc/07/02/84/595070284.db2.gz IFXHFECEGHRUEZ-BPUTZDHNSA-N 2 2 336.480 1.512 20 0 EDADLP CC[C@H](C)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000843310141 595070287 /nfs/dbraw/zinc/07/02/87/595070287.db2.gz IFXHFECEGHRUEZ-BPUTZDHNSA-N 2 2 336.480 1.512 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000843346585 595081540 /nfs/dbraw/zinc/08/15/40/595081540.db2.gz LUHDPPXUPKKRFJ-INIZCTEOSA-N 2 2 344.459 1.100 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000843346585 595081543 /nfs/dbraw/zinc/08/15/43/595081543.db2.gz LUHDPPXUPKKRFJ-INIZCTEOSA-N 2 2 344.459 1.100 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000843354559 595084470 /nfs/dbraw/zinc/08/44/70/595084470.db2.gz CKQBZXYNXCXNGW-UHFFFAOYSA-N 2 2 348.491 1.928 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000843354559 595084473 /nfs/dbraw/zinc/08/44/73/595084473.db2.gz CKQBZXYNXCXNGW-UHFFFAOYSA-N 2 2 348.491 1.928 20 0 EDADLP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000843460209 595118225 /nfs/dbraw/zinc/11/82/25/595118225.db2.gz YQKICMJJHGGAEJ-KRWDZBQOSA-N 2 2 347.463 1.390 20 0 EDADLP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000843460209 595118228 /nfs/dbraw/zinc/11/82/28/595118228.db2.gz YQKICMJJHGGAEJ-KRWDZBQOSA-N 2 2 347.463 1.390 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000846221260 595177272 /nfs/dbraw/zinc/17/72/72/595177272.db2.gz VRQQRJYQCQTYLX-GOSISDBHSA-N 2 2 349.500 1.703 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000846221260 595177275 /nfs/dbraw/zinc/17/72/75/595177275.db2.gz VRQQRJYQCQTYLX-GOSISDBHSA-N 2 2 349.500 1.703 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000843061944 595276997 /nfs/dbraw/zinc/27/69/97/595276997.db2.gz JPWPKICVPRTWDU-DOMZBBRYSA-N 2 2 332.366 1.785 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867432716 595281435 /nfs/dbraw/zinc/28/14/35/595281435.db2.gz GDZTVFBDXYIHRO-KZSQQDEKSA-N 2 2 349.500 1.842 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000844166559 595288800 /nfs/dbraw/zinc/28/88/00/595288800.db2.gz DUHOBPNNXSCULE-RDJZCZTQSA-N 2 2 346.406 1.533 20 0 EDADLP O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000844167815 595289458 /nfs/dbraw/zinc/28/94/58/595289458.db2.gz QAMHVVNEWWQLEL-KRWDZBQOSA-N 2 2 328.416 1.316 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(N2CCCC2=O)cc1 ZINC000846668816 595296858 /nfs/dbraw/zinc/29/68/58/595296858.db2.gz NZDFXUPSMWYWAZ-XJKSGUPXSA-N 2 2 332.448 1.270 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000844188113 595297095 /nfs/dbraw/zinc/29/70/95/595297095.db2.gz PQAKACZUNLLNIV-MRXNPFEDSA-N 2 2 337.414 1.889 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000844188113 595297098 /nfs/dbraw/zinc/29/70/98/595297098.db2.gz PQAKACZUNLLNIV-MRXNPFEDSA-N 2 2 337.414 1.889 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000846669834 595297328 /nfs/dbraw/zinc/29/73/28/595297328.db2.gz VCXUVDUHZHQCTR-QWHCGFSZSA-N 2 2 333.354 1.134 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000844191596 595298353 /nfs/dbraw/zinc/29/83/53/595298353.db2.gz YXUIGAAVOOQZAG-GOSISDBHSA-N 2 2 346.475 1.141 20 0 EDADLP c1cn(-c2cc(-c3noc(C[C@@H]4CSCC[NH2+]4)n3)ccn2)c[nH+]1 ZINC000843186334 595301354 /nfs/dbraw/zinc/30/13/54/595301354.db2.gz PCGAKCNGIHSULO-GFCCVEGCSA-N 2 2 328.401 1.565 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000107329587 595307275 /nfs/dbraw/zinc/30/72/75/595307275.db2.gz GARHOAYOKGESML-UHFFFAOYSA-N 2 2 342.447 1.941 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000844223289 595307863 /nfs/dbraw/zinc/30/78/63/595307863.db2.gz WYINYYLCOYUWKP-LJQANCHMSA-N 2 2 344.459 1.147 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000844223289 595307866 /nfs/dbraw/zinc/30/78/66/595307866.db2.gz WYINYYLCOYUWKP-LJQANCHMSA-N 2 2 344.459 1.147 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCOC(=O)Cc2ccccc2)CC1 ZINC000846912848 595336259 /nfs/dbraw/zinc/33/62/59/595336259.db2.gz PCJOMVCFMNOTTM-KRWDZBQOSA-N 2 2 346.471 1.957 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCOC(=O)Cc2ccccc2)CC1 ZINC000846912848 595336261 /nfs/dbraw/zinc/33/62/61/595336261.db2.gz PCJOMVCFMNOTTM-KRWDZBQOSA-N 2 2 346.471 1.957 20 0 EDADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)C1 ZINC000846940559 595340301 /nfs/dbraw/zinc/34/03/01/595340301.db2.gz TYEPMCJWMQRMMM-CQSZACIVSA-N 2 2 326.437 1.047 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000848410620 595375018 /nfs/dbraw/zinc/37/50/18/595375018.db2.gz ICSFVJLEUBBOPB-UHFFFAOYSA-N 2 2 326.360 1.379 20 0 EDADLP Cn1c(Cl)ncc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000848532268 595402868 /nfs/dbraw/zinc/40/28/68/595402868.db2.gz BRESQEXJZIVUNS-UHFFFAOYSA-N 3 2 348.882 1.770 20 0 EDADLP Cn1nc(Br)c2c1nc[nH+]c2NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848755447 595441053 /nfs/dbraw/zinc/44/10/53/595441053.db2.gz QUZCWBMCCWJXHV-DTORHVGOSA-N 2 2 339.241 1.878 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000849267223 595498801 /nfs/dbraw/zinc/49/88/01/595498801.db2.gz NKUFTDKFZHNZSX-CQSZACIVSA-N 2 2 328.526 1.046 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000849267223 595498803 /nfs/dbraw/zinc/49/88/03/595498803.db2.gz NKUFTDKFZHNZSX-CQSZACIVSA-N 2 2 328.526 1.046 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000857986586 595677829 /nfs/dbraw/zinc/67/78/29/595677829.db2.gz QZWJGRHVUJHZIM-CRAIPNDOSA-N 2 2 326.400 1.081 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000857986586 595677831 /nfs/dbraw/zinc/67/78/31/595677831.db2.gz QZWJGRHVUJHZIM-CRAIPNDOSA-N 2 2 326.400 1.081 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000855414398 595704584 /nfs/dbraw/zinc/70/45/84/595704584.db2.gz CPOMSMUOXVVSIG-MRXNPFEDSA-N 2 2 341.883 1.763 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000855414398 595704587 /nfs/dbraw/zinc/70/45/87/595704587.db2.gz CPOMSMUOXVVSIG-MRXNPFEDSA-N 2 2 341.883 1.763 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OCC1CC(OC(=O)Cn2c[nH+]cc2C)C1 ZINC000860806532 595802267 /nfs/dbraw/zinc/80/22/67/595802267.db2.gz RZCHITXCEIOKBH-UHFFFAOYSA-N 2 2 346.387 1.262 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000850385457 595824295 /nfs/dbraw/zinc/82/42/95/595824295.db2.gz HFKBQACBTISRTL-ILXRZTDVSA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000850385457 595824297 /nfs/dbraw/zinc/82/42/97/595824297.db2.gz HFKBQACBTISRTL-ILXRZTDVSA-N 2 2 339.480 1.695 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(N(C)C)[nH+]1 ZINC000850507100 595847134 /nfs/dbraw/zinc/84/71/34/595847134.db2.gz MPYXIKZWNHPSCS-CYBMUJFWSA-N 2 2 347.463 1.384 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c(N(C)C)[nH+]1 ZINC000850507100 595847137 /nfs/dbraw/zinc/84/71/37/595847137.db2.gz MPYXIKZWNHPSCS-CYBMUJFWSA-N 2 2 347.463 1.384 20 0 EDADLP C[N@H+](C[C@H](O)c1ccccn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851957174 595985429 /nfs/dbraw/zinc/98/54/29/595985429.db2.gz KUAHONIGSBJTRP-VQTJNVASSA-N 2 2 341.455 1.684 20 0 EDADLP C[N@@H+](C[C@H](O)c1ccccn1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851957174 595985434 /nfs/dbraw/zinc/98/54/34/595985434.db2.gz KUAHONIGSBJTRP-VQTJNVASSA-N 2 2 341.455 1.684 20 0 EDADLP C[NH+](C[C@H](O)c1ccccn1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000851957174 595985437 /nfs/dbraw/zinc/98/54/37/595985437.db2.gz KUAHONIGSBJTRP-VQTJNVASSA-N 2 2 341.455 1.684 20 0 EDADLP C[NH+](C[C@H](O)c1ccccn1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000851957174 595985442 /nfs/dbraw/zinc/98/54/42/595985442.db2.gz KUAHONIGSBJTRP-VQTJNVASSA-N 2 2 341.455 1.684 20 0 EDADLP COC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000854225225 596007186 /nfs/dbraw/zinc/00/71/86/596007186.db2.gz ZJJPWMKKIRBIEP-QZTJIDSGSA-N 2 2 347.459 1.961 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000854225187 596007211 /nfs/dbraw/zinc/00/72/11/596007211.db2.gz YMYHAKKQQGGSTN-QBPKDAKJSA-N 2 2 335.423 1.154 20 0 EDADLP CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000852046730 596022728 /nfs/dbraw/zinc/02/27/28/596022728.db2.gz VVNSFBUQRVBJJN-HOTGVXAUSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000852046730 596022732 /nfs/dbraw/zinc/02/27/32/596022732.db2.gz VVNSFBUQRVBJJN-HOTGVXAUSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)NC(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000852046730 596022738 /nfs/dbraw/zinc/02/27/38/596022738.db2.gz VVNSFBUQRVBJJN-HOTGVXAUSA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)NC(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000852046730 596022742 /nfs/dbraw/zinc/02/27/42/596022742.db2.gz VVNSFBUQRVBJJN-HOTGVXAUSA-N 2 2 329.485 1.677 20 0 EDADLP CCN(CC[NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000861550798 596026670 /nfs/dbraw/zinc/02/66/70/596026670.db2.gz VWXJKTKAWNCHES-HNNXBMFYSA-N 2 2 331.420 1.508 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000852062135 596027937 /nfs/dbraw/zinc/02/79/37/596027937.db2.gz ZWZWNBIROYQSQH-OLZOCXBDSA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000852062135 596027941 /nfs/dbraw/zinc/02/79/41/596027941.db2.gz ZWZWNBIROYQSQH-OLZOCXBDSA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000852062135 596027946 /nfs/dbraw/zinc/02/79/46/596027946.db2.gz ZWZWNBIROYQSQH-OLZOCXBDSA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000852062135 596027951 /nfs/dbraw/zinc/02/79/51/596027951.db2.gz ZWZWNBIROYQSQH-OLZOCXBDSA-N 2 2 339.402 1.078 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000859357424 596062689 /nfs/dbraw/zinc/06/26/89/596062689.db2.gz IPMZLCOCNDKBNG-LJQANCHMSA-N 2 2 348.487 1.840 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856942862 596119846 /nfs/dbraw/zinc/11/98/46/596119846.db2.gz YWTAFZIYLURERR-LBPRGKRZSA-N 2 2 339.311 1.753 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856942862 596119848 /nfs/dbraw/zinc/11/98/48/596119848.db2.gz YWTAFZIYLURERR-LBPRGKRZSA-N 2 2 339.311 1.753 20 0 EDADLP COc1ccc2c(c1)CC[C@@H]2C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000859884203 596214992 /nfs/dbraw/zinc/21/49/92/596214992.db2.gz SYWWDEPPLRFRGS-IBGZPJMESA-N 2 2 345.487 1.867 20 0 EDADLP O=C1N[C@H]2C[N@H+](CC=C(Cl)Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000852751299 596237870 /nfs/dbraw/zinc/23/78/70/596237870.db2.gz WLCYMVDWTSSGOT-RYUDHWBXSA-N 2 2 333.263 1.526 20 0 EDADLP O=C1N[C@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000852751299 596237871 /nfs/dbraw/zinc/23/78/71/596237871.db2.gz WLCYMVDWTSSGOT-RYUDHWBXSA-N 2 2 333.263 1.526 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](CC(F)F)C2)CC[N@@H+](C2CC2)C1 ZINC000868607488 596244863 /nfs/dbraw/zinc/24/48/63/596244863.db2.gz WZMFZCULLFCAEY-KGLIPLIRSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](CC(F)F)C2)CC[N@H+](C2CC2)C1 ZINC000868607488 596244865 /nfs/dbraw/zinc/24/48/65/596244865.db2.gz WZMFZCULLFCAEY-KGLIPLIRSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC[NH+](C2CC2)C1 ZINC000868607488 596244869 /nfs/dbraw/zinc/24/48/69/596244869.db2.gz WZMFZCULLFCAEY-KGLIPLIRSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC[NH+](C2CC2)C1 ZINC000868607488 596244873 /nfs/dbraw/zinc/24/48/73/596244873.db2.gz WZMFZCULLFCAEY-KGLIPLIRSA-N 2 2 329.435 1.906 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864544680 596259387 /nfs/dbraw/zinc/25/93/87/596259387.db2.gz VYPYINMQGBOBDB-DAXSKMNVSA-N 2 2 343.471 1.528 20 0 EDADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000866666791 596285275 /nfs/dbraw/zinc/28/52/75/596285275.db2.gz WZTCQUQDBIEIFD-MOPGFXCFSA-N 2 2 344.503 1.716 20 0 EDADLP CCc1ccc2c(C[NH+]3CCC([NH2+]CCO)CC3)cc(=O)oc2c1 ZINC000866681870 596291956 /nfs/dbraw/zinc/29/19/56/596291956.db2.gz GDNSHVSMBDXYEB-UHFFFAOYSA-N 2 2 330.428 1.902 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](COC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000118901294 596310280 /nfs/dbraw/zinc/31/02/80/596310280.db2.gz GINWZNKVFPQYID-INIZCTEOSA-N 2 2 331.416 1.777 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](COC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000118901294 596310284 /nfs/dbraw/zinc/31/02/84/596310284.db2.gz GINWZNKVFPQYID-INIZCTEOSA-N 2 2 331.416 1.777 20 0 EDADLP Cc1cc(OCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)no1 ZINC000870667355 596316162 /nfs/dbraw/zinc/31/61/62/596316162.db2.gz KOEALGPOMZDYJX-UHFFFAOYSA-N 2 2 331.376 1.147 20 0 EDADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000862531421 596340118 /nfs/dbraw/zinc/34/01/18/596340118.db2.gz GPZOEJFGUOYUMO-QWHCGFSZSA-N 2 2 349.422 1.287 20 0 EDADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000862531421 596340119 /nfs/dbraw/zinc/34/01/19/596340119.db2.gz GPZOEJFGUOYUMO-QWHCGFSZSA-N 2 2 349.422 1.287 20 0 EDADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000868962164 596364963 /nfs/dbraw/zinc/36/49/63/596364963.db2.gz PUUAXENAPCWGBX-USXIJHARSA-N 2 2 326.400 1.176 20 0 EDADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000868962164 596364968 /nfs/dbraw/zinc/36/49/68/596364968.db2.gz PUUAXENAPCWGBX-USXIJHARSA-N 2 2 326.400 1.176 20 0 EDADLP Cc1cc(N2CCN(C(=O)CC[NH2+]CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000870857179 596379117 /nfs/dbraw/zinc/37/91/17/596379117.db2.gz AMACZWSZIDPHMD-UHFFFAOYSA-N 2 2 345.491 1.947 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CC(C)C)C2)cc1 ZINC000870978928 596426070 /nfs/dbraw/zinc/42/60/70/596426070.db2.gz DFEMWPXBGKNQGS-QZTJIDSGSA-N 2 2 333.476 1.685 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CC(C)C)C2)cc1 ZINC000870978928 596426073 /nfs/dbraw/zinc/42/60/73/596426073.db2.gz DFEMWPXBGKNQGS-QZTJIDSGSA-N 2 2 333.476 1.685 20 0 EDADLP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000871018592 596440014 /nfs/dbraw/zinc/44/00/14/596440014.db2.gz CEVUHGAQNRFZLC-RTBURBONSA-N 3 2 346.519 1.779 20 0 EDADLP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000871018592 596440016 /nfs/dbraw/zinc/44/00/16/596440016.db2.gz CEVUHGAQNRFZLC-RTBURBONSA-N 3 2 346.519 1.779 20 0 EDADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000865036281 596452439 /nfs/dbraw/zinc/45/24/39/596452439.db2.gz URAZFCFFSLVRJK-SFHVURJKSA-N 2 2 340.427 1.492 20 0 EDADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000865036281 596452442 /nfs/dbraw/zinc/45/24/42/596452442.db2.gz URAZFCFFSLVRJK-SFHVURJKSA-N 2 2 340.427 1.492 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865048791 596454846 /nfs/dbraw/zinc/45/48/46/596454846.db2.gz CYGXXNMUXNJKAG-UTPPLLRLSA-N 2 2 335.492 1.739 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865048791 596454847 /nfs/dbraw/zinc/45/48/47/596454847.db2.gz CYGXXNMUXNJKAG-UTPPLLRLSA-N 2 2 335.492 1.739 20 0 EDADLP CCCn1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)nn1 ZINC000865446301 596577663 /nfs/dbraw/zinc/57/76/63/596577663.db2.gz RUMJBFURMUAJGF-IBGZPJMESA-N 2 2 342.491 1.766 20 0 EDADLP Cc1ccnc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1Br ZINC000865449983 596578624 /nfs/dbraw/zinc/57/86/24/596578624.db2.gz JBFZKSIJZBCEDC-ZDUSSCGKSA-N 2 2 341.297 1.878 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865458538 596581939 /nfs/dbraw/zinc/58/19/39/596581939.db2.gz JKGPLWXFVNCGJA-CSLYMUCUSA-N 2 2 338.496 1.221 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865458538 596581941 /nfs/dbraw/zinc/58/19/41/596581941.db2.gz JKGPLWXFVNCGJA-CSLYMUCUSA-N 2 2 338.496 1.221 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCCNc2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865501004 596592788 /nfs/dbraw/zinc/59/27/88/596592788.db2.gz KHOSPJXTVFATAL-JTQLQIEISA-N 2 2 336.827 1.611 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCCNc2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865501004 596592790 /nfs/dbraw/zinc/59/27/90/596592790.db2.gz KHOSPJXTVFATAL-JTQLQIEISA-N 2 2 336.827 1.611 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863582583 596626170 /nfs/dbraw/zinc/62/61/70/596626170.db2.gz OHYZHVWCRJGTSV-HZPDHXFCSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000863582583 596626174 /nfs/dbraw/zinc/62/61/74/596626174.db2.gz OHYZHVWCRJGTSV-HZPDHXFCSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000865696446 596652773 /nfs/dbraw/zinc/65/27/73/596652773.db2.gz DIYJLDYYGTTYPD-SKHCZCESSA-N 2 2 331.460 1.512 20 0 EDADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000865696446 596652775 /nfs/dbraw/zinc/65/27/75/596652775.db2.gz DIYJLDYYGTTYPD-SKHCZCESSA-N 2 2 331.460 1.512 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1C ZINC000868020049 596657422 /nfs/dbraw/zinc/65/74/22/596657422.db2.gz XUOQKJSSQLNWAE-MRXNPFEDSA-N 2 2 342.447 1.749 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1C ZINC000868020049 596657424 /nfs/dbraw/zinc/65/74/24/596657424.db2.gz XUOQKJSSQLNWAE-MRXNPFEDSA-N 2 2 342.447 1.749 20 0 EDADLP CCOC1CC2(C[C@H]2C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000865800238 596689289 /nfs/dbraw/zinc/68/92/89/596689289.db2.gz WXBIZBIXMWDJST-HFCFLWKCSA-N 2 2 337.508 1.676 20 0 EDADLP CCOC1CC2(C[C@H]2C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000865800238 596689290 /nfs/dbraw/zinc/68/92/90/596689290.db2.gz WXBIZBIXMWDJST-HFCFLWKCSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865812984 596693152 /nfs/dbraw/zinc/69/31/52/596693152.db2.gz ANSSDFDZXIUXNP-GDBMZVCRSA-N 2 2 339.505 1.411 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865812984 596693155 /nfs/dbraw/zinc/69/31/55/596693155.db2.gz ANSSDFDZXIUXNP-GDBMZVCRSA-N 2 2 339.505 1.411 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)Nc3ccc4c(c3)C[NH2+]CC4)cc2C1 ZINC000868163325 596706762 /nfs/dbraw/zinc/70/67/62/596706762.db2.gz DAMSFLWZEPUBIR-UHFFFAOYSA-N 2 2 326.404 1.618 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)Nc3ccc4c(c3)C[NH2+]CC4)cc2C1 ZINC000868163325 596706764 /nfs/dbraw/zinc/70/67/64/596706764.db2.gz DAMSFLWZEPUBIR-UHFFFAOYSA-N 2 2 326.404 1.618 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)cc2C1 ZINC000868206249 596723662 /nfs/dbraw/zinc/72/36/62/596723662.db2.gz UXRUPXQNJWGBCZ-GDBMZVCRSA-N 2 2 346.479 1.715 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)cc2C1 ZINC000868206249 596723664 /nfs/dbraw/zinc/72/36/64/596723664.db2.gz UXRUPXQNJWGBCZ-GDBMZVCRSA-N 2 2 346.479 1.715 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865933897 596727898 /nfs/dbraw/zinc/72/78/98/596727898.db2.gz NVPTZTBYIOLMDW-ZDUSSCGKSA-N 3 2 335.500 1.795 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(N)[nH+]c(C2CCCC2)n1 ZINC000865933897 596727902 /nfs/dbraw/zinc/72/79/02/596727902.db2.gz NVPTZTBYIOLMDW-ZDUSSCGKSA-N 3 2 335.500 1.795 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[NH2+]2)cc1 ZINC000870144085 596769604 /nfs/dbraw/zinc/76/96/04/596769604.db2.gz BXALQNGCVGTBHE-SUMWQHHRSA-N 2 2 328.416 1.770 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000870143501 596770166 /nfs/dbraw/zinc/77/01/66/596770166.db2.gz UQBPYJLFHXLJDZ-QAPCUYQASA-N 2 2 347.459 1.136 20 0 EDADLP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000872033245 596798602 /nfs/dbraw/zinc/79/86/02/596798602.db2.gz AOLAXJWDTLNSCR-RBUKOAKNSA-N 2 2 337.483 1.997 20 0 EDADLP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000872033245 596798606 /nfs/dbraw/zinc/79/86/06/596798606.db2.gz AOLAXJWDTLNSCR-RBUKOAKNSA-N 2 2 337.483 1.997 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C)C[NH+]1CCOCC1 ZINC000868369669 596807641 /nfs/dbraw/zinc/80/76/41/596807641.db2.gz WUJQVNSBZWZDKR-YJBOKZPZSA-N 2 2 346.475 1.441 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000868369669 596807643 /nfs/dbraw/zinc/80/76/43/596807643.db2.gz WUJQVNSBZWZDKR-YJBOKZPZSA-N 2 2 346.475 1.441 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868372368 596809613 /nfs/dbraw/zinc/80/96/13/596809613.db2.gz SZLFCMTYWMACLJ-MAUKXSAKSA-N 2 2 345.491 1.108 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868372368 596809614 /nfs/dbraw/zinc/80/96/14/596809614.db2.gz SZLFCMTYWMACLJ-MAUKXSAKSA-N 2 2 345.491 1.108 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868372368 596809616 /nfs/dbraw/zinc/80/96/16/596809616.db2.gz SZLFCMTYWMACLJ-MAUKXSAKSA-N 2 2 345.491 1.108 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868372368 596809618 /nfs/dbraw/zinc/80/96/18/596809618.db2.gz SZLFCMTYWMACLJ-MAUKXSAKSA-N 2 2 345.491 1.108 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)nc12 ZINC000872147577 596811209 /nfs/dbraw/zinc/81/12/09/596811209.db2.gz JYWKNNRLSALFCS-WCQYABFASA-N 2 2 340.349 1.572 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)nc12 ZINC000872147577 596811212 /nfs/dbraw/zinc/81/12/12/596811212.db2.gz JYWKNNRLSALFCS-WCQYABFASA-N 2 2 340.349 1.572 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153258 596814134 /nfs/dbraw/zinc/81/41/34/596814134.db2.gz FONZDNWNZNZYBQ-HNAYVOBHSA-N 2 2 349.450 1.594 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153258 596814136 /nfs/dbraw/zinc/81/41/36/596814136.db2.gz FONZDNWNZNZYBQ-HNAYVOBHSA-N 2 2 349.450 1.594 20 0 EDADLP [NH3+]C[C@@]1(c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)CCCOC1 ZINC000872174756 596820785 /nfs/dbraw/zinc/82/07/85/596820785.db2.gz KZHDXOCAMDCJLA-KRWDZBQOSA-N 2 2 325.372 1.929 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC[C@H]21 ZINC000868435907 596836948 /nfs/dbraw/zinc/83/69/48/596836948.db2.gz GQBLDADFERHCRA-BZUAXINKSA-N 2 2 329.448 1.396 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC[C@H]21 ZINC000868435907 596836951 /nfs/dbraw/zinc/83/69/51/596836951.db2.gz GQBLDADFERHCRA-BZUAXINKSA-N 2 2 329.448 1.396 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411789 596879781 /nfs/dbraw/zinc/87/97/81/596879781.db2.gz WDZOBSQEWLIYBF-CJNGLKHVSA-N 2 2 337.439 1.978 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411789 596879783 /nfs/dbraw/zinc/87/97/83/596879783.db2.gz WDZOBSQEWLIYBF-CJNGLKHVSA-N 2 2 337.439 1.978 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1CC ZINC000875579151 596903564 /nfs/dbraw/zinc/90/35/64/596903564.db2.gz VXEAHZOPFLGERR-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1CC ZINC000875579151 596903565 /nfs/dbraw/zinc/90/35/65/596903565.db2.gz VXEAHZOPFLGERR-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875579151 596903568 /nfs/dbraw/zinc/90/35/68/596903568.db2.gz VXEAHZOPFLGERR-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875579151 596903571 /nfs/dbraw/zinc/90/35/71/596903571.db2.gz VXEAHZOPFLGERR-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCCC[NH+](C)C1CC1 ZINC000875653607 596935065 /nfs/dbraw/zinc/93/50/65/596935065.db2.gz IOXMFLNSAUAKRW-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCCCC[NH+](C)C1CC1 ZINC000875653607 596935069 /nfs/dbraw/zinc/93/50/69/596935069.db2.gz IOXMFLNSAUAKRW-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000875653607 596935072 /nfs/dbraw/zinc/93/50/72/596935072.db2.gz IOXMFLNSAUAKRW-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000875653607 596935077 /nfs/dbraw/zinc/93/50/77/596935077.db2.gz IOXMFLNSAUAKRW-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000872646222 597008470 /nfs/dbraw/zinc/00/84/70/597008470.db2.gz ZQQFMUZXULRGHF-CYBMUJFWSA-N 2 2 331.399 1.448 20 0 EDADLP CC(C)(CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[NH+]1CCOCC1 ZINC000874430749 597074880 /nfs/dbraw/zinc/07/48/80/597074880.db2.gz HMGOOYJRMHRBGE-AWEZNQCLSA-N 2 2 326.485 1.175 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000874466417 597092537 /nfs/dbraw/zinc/09/25/37/597092537.db2.gz OLNHATSEVRGCDW-MSOLQXFVSA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000874466417 597092539 /nfs/dbraw/zinc/09/25/39/597092539.db2.gz OLNHATSEVRGCDW-MSOLQXFVSA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCN(C)CC1 ZINC000874466417 597092543 /nfs/dbraw/zinc/09/25/43/597092543.db2.gz OLNHATSEVRGCDW-MSOLQXFVSA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+]1C1CCCC1)[NH+]1CCN(C)CC1 ZINC000874466417 597092546 /nfs/dbraw/zinc/09/25/46/597092546.db2.gz OLNHATSEVRGCDW-MSOLQXFVSA-N 2 2 336.524 1.392 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876205503 597134671 /nfs/dbraw/zinc/13/46/71/597134671.db2.gz GTFDXCXYAHTAFR-YJBOKZPZSA-N 2 2 346.475 1.535 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876205503 597134672 /nfs/dbraw/zinc/13/46/72/597134672.db2.gz GTFDXCXYAHTAFR-YJBOKZPZSA-N 2 2 346.475 1.535 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000876205976 597136024 /nfs/dbraw/zinc/13/60/24/597136024.db2.gz YYCYTKROBVOOEP-AEFFLSMTSA-N 2 2 346.475 1.319 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000876205976 597136025 /nfs/dbraw/zinc/13/60/25/597136025.db2.gz YYCYTKROBVOOEP-AEFFLSMTSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000876205976 597136027 /nfs/dbraw/zinc/13/60/27/597136027.db2.gz YYCYTKROBVOOEP-AEFFLSMTSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000876205976 597136028 /nfs/dbraw/zinc/13/60/28/597136028.db2.gz YYCYTKROBVOOEP-AEFFLSMTSA-N 2 2 346.475 1.319 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)nn2)cc1 ZINC000873060143 597175664 /nfs/dbraw/zinc/17/56/64/597175664.db2.gz GEDPJPRDFQDZDM-GDBMZVCRSA-N 2 2 329.448 1.907 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)nn2)cc1 ZINC000873060143 597175668 /nfs/dbraw/zinc/17/56/68/597175668.db2.gz GEDPJPRDFQDZDM-GDBMZVCRSA-N 2 2 329.448 1.907 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+]CCc3c[nH+]cn3C)nn2)cc1 ZINC000873139943 597208784 /nfs/dbraw/zinc/20/87/84/597208784.db2.gz HARJODHKUCOJLA-UHFFFAOYSA-N 2 2 326.404 1.401 20 0 EDADLP COCCC1([NH2+]Cc2c(Br)cnn2C)CC[NH2+]CC1 ZINC000873225074 597232655 /nfs/dbraw/zinc/23/26/55/597232655.db2.gz LXOPHVZZBJNUDQ-UHFFFAOYSA-N 2 2 331.258 1.431 20 0 EDADLP O=c1[nH]ccc2oc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc21 ZINC000876546255 597234692 /nfs/dbraw/zinc/23/46/92/597234692.db2.gz GEZJWWXXBIDYCY-UHFFFAOYSA-N 2 2 330.432 1.747 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000873230547 597235356 /nfs/dbraw/zinc/23/53/56/597235356.db2.gz TWTLADKBHSILEX-MJGOQNOKSA-N 2 2 347.459 1.584 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000874998452 597237576 /nfs/dbraw/zinc/23/75/76/597237576.db2.gz DNZUSGZQVCMQSD-INIZCTEOSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000874998452 597237577 /nfs/dbraw/zinc/23/75/77/597237577.db2.gz DNZUSGZQVCMQSD-INIZCTEOSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000876712610 597299354 /nfs/dbraw/zinc/29/93/54/597299354.db2.gz BTVRNTZHPKQXII-ZBFHGGJFSA-N 2 2 349.454 1.505 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCOC[C@@H]2CC)CC1 ZINC000875189276 597320899 /nfs/dbraw/zinc/32/08/99/597320899.db2.gz IGLVSSMOHKTNPL-KRWDZBQOSA-N 2 2 340.512 1.518 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2CCOC[C@@H]2CC)CC1 ZINC000875189276 597320902 /nfs/dbraw/zinc/32/09/02/597320902.db2.gz IGLVSSMOHKTNPL-KRWDZBQOSA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876985155 597405128 /nfs/dbraw/zinc/40/51/28/597405128.db2.gz UZRYIOHNTQCTJR-UHFFFAOYSA-N 2 2 338.864 1.813 20 0 EDADLP C[NH+]1CCC2(CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)CC1 ZINC000875511822 597460175 /nfs/dbraw/zinc/46/01/75/597460175.db2.gz XNVXLCBWEQHDJH-OAHLLOKOSA-N 2 2 331.464 1.715 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2cc(Br)no2)CC[N@H+]1C ZINC000878163377 597583365 /nfs/dbraw/zinc/58/33/65/597583365.db2.gz QYNUTOYYKJGJON-MXWKQRLJSA-N 2 2 332.242 1.885 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2cc(Br)no2)CC[NH+]1C ZINC000878163377 597583366 /nfs/dbraw/zinc/58/33/66/597583366.db2.gz QYNUTOYYKJGJON-MXWKQRLJSA-N 2 2 332.242 1.885 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2cc(Br)no2)CC[NH+]1C ZINC000878163377 597583367 /nfs/dbraw/zinc/58/33/67/597583367.db2.gz QYNUTOYYKJGJON-MXWKQRLJSA-N 2 2 332.242 1.885 20 0 EDADLP C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000877948157 597565468 /nfs/dbraw/zinc/56/54/68/597565468.db2.gz NAQXKMJEUUNYRW-UHFFFAOYSA-N 2 2 334.439 1.158 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2cc(Br)no2)CC[N@@H+]1C ZINC000878163377 597583364 /nfs/dbraw/zinc/58/33/64/597583364.db2.gz QYNUTOYYKJGJON-MXWKQRLJSA-N 2 2 332.242 1.885 20 0 EDADLP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)no1 ZINC000882989460 597609660 /nfs/dbraw/zinc/60/96/60/597609660.db2.gz RHNRXRDWVBBNAG-QGZVFWFLSA-N 2 2 342.443 1.970 20 0 EDADLP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)no1 ZINC000882989460 597609662 /nfs/dbraw/zinc/60/96/62/597609662.db2.gz RHNRXRDWVBBNAG-QGZVFWFLSA-N 2 2 342.443 1.970 20 0 EDADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sccc3C(N)=O)CC[C@H]21 ZINC000879577000 597639743 /nfs/dbraw/zinc/63/97/43/597639743.db2.gz ZHZIJPNSQNJWJZ-DGCLKSJQSA-N 2 2 336.461 1.202 20 0 EDADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sccc3C(N)=O)CC[C@H]21 ZINC000879577000 597639747 /nfs/dbraw/zinc/63/97/47/597639747.db2.gz ZHZIJPNSQNJWJZ-DGCLKSJQSA-N 2 2 336.461 1.202 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C(N)=O)CC[C@H]21 ZINC000879577000 597639751 /nfs/dbraw/zinc/63/97/51/597639751.db2.gz ZHZIJPNSQNJWJZ-DGCLKSJQSA-N 2 2 336.461 1.202 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C(N)=O)CC[C@H]21 ZINC000879577000 597639753 /nfs/dbraw/zinc/63/97/53/597639753.db2.gz ZHZIJPNSQNJWJZ-DGCLKSJQSA-N 2 2 336.461 1.202 20 0 EDADLP CC(C)c1n[nH]c(CC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000878800389 597715853 /nfs/dbraw/zinc/71/58/53/597715853.db2.gz WREOCKGEWVTMAC-INIZCTEOSA-N 2 2 335.496 1.639 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973539 597792062 /nfs/dbraw/zinc/79/20/62/597792062.db2.gz ZEWDAEFVNHPPIF-INMHGKMJSA-N 2 2 334.464 1.094 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973539 597792064 /nfs/dbraw/zinc/79/20/64/597792064.db2.gz ZEWDAEFVNHPPIF-INMHGKMJSA-N 2 2 334.464 1.094 20 0 EDADLP CCOC(=O)c1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000881976620 597824414 /nfs/dbraw/zinc/82/44/14/597824414.db2.gz BHBHVIDBRPSEIM-AWEZNQCLSA-N 2 2 347.463 1.542 20 0 EDADLP CCOC(=O)c1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000881976620 597824415 /nfs/dbraw/zinc/82/44/15/597824415.db2.gz BHBHVIDBRPSEIM-AWEZNQCLSA-N 2 2 347.463 1.542 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880132996 597850343 /nfs/dbraw/zinc/85/03/43/597850343.db2.gz RWCKVGALVGLWII-CVEARBPZSA-N 2 2 330.432 1.893 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880132996 597850345 /nfs/dbraw/zinc/85/03/45/597850345.db2.gz RWCKVGALVGLWII-CVEARBPZSA-N 2 2 330.432 1.893 20 0 EDADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880132996 597850347 /nfs/dbraw/zinc/85/03/47/597850347.db2.gz RWCKVGALVGLWII-CVEARBPZSA-N 2 2 330.432 1.893 20 0 EDADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)NC(=O)Nc1ccccc1 ZINC000880132996 597850348 /nfs/dbraw/zinc/85/03/48/597850348.db2.gz RWCKVGALVGLWII-CVEARBPZSA-N 2 2 330.432 1.893 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000882394876 597955821 /nfs/dbraw/zinc/95/58/21/597955821.db2.gz KBLXLMBCJDWOIB-QGZVFWFLSA-N 2 2 339.443 1.886 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000882394876 597955824 /nfs/dbraw/zinc/95/58/24/597955824.db2.gz KBLXLMBCJDWOIB-QGZVFWFLSA-N 2 2 339.443 1.886 20 0 EDADLP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000884058121 597981820 /nfs/dbraw/zinc/98/18/20/597981820.db2.gz BDMDPWSRCDNYPO-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CCO1 ZINC000884206033 598028207 /nfs/dbraw/zinc/02/82/07/598028207.db2.gz LFUBQXGGARIZTE-INIZCTEOSA-N 2 2 345.443 1.530 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CCO1 ZINC000884206033 598028211 /nfs/dbraw/zinc/02/82/11/598028211.db2.gz LFUBQXGGARIZTE-INIZCTEOSA-N 2 2 345.443 1.530 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)[C@@H](C)CO1 ZINC000884401162 598093903 /nfs/dbraw/zinc/09/39/03/598093903.db2.gz GMSAPCMWLDHTQE-VBQJREDUSA-N 2 2 345.443 1.528 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)[C@@H](C)CO1 ZINC000884401162 598093908 /nfs/dbraw/zinc/09/39/08/598093908.db2.gz GMSAPCMWLDHTQE-VBQJREDUSA-N 2 2 345.443 1.528 20 0 EDADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884412160 598097715 /nfs/dbraw/zinc/09/77/15/598097715.db2.gz KCEDYBGUZZEBCJ-IRXDYDNUSA-N 3 2 338.540 1.623 20 0 EDADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884412160 598097719 /nfs/dbraw/zinc/09/77/19/598097719.db2.gz KCEDYBGUZZEBCJ-IRXDYDNUSA-N 3 2 338.540 1.623 20 0 EDADLP C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000884463689 598112605 /nfs/dbraw/zinc/11/26/05/598112605.db2.gz PMOQBGZOTREPKE-SWLSCSKDSA-N 2 2 340.431 1.519 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000914074549 695069752 /nfs/dbraw/zinc/06/97/52/695069752.db2.gz HQFCYKFFRUUZCP-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000914183295 695260800 /nfs/dbraw/zinc/26/08/00/695260800.db2.gz QWTYVEKJVINPGW-JKSUJKDBSA-N 2 2 328.501 1.373 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000914248917 695310610 /nfs/dbraw/zinc/31/06/10/695310610.db2.gz ZLOMJWCOFZRWIZ-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C)CC2)s1 ZINC000925406671 695336486 /nfs/dbraw/zinc/33/64/86/695336486.db2.gz PJDDNKUINXPDHU-CQSZACIVSA-N 2 2 336.505 1.842 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[N@H+]3C)CC2)s1 ZINC000925406671 695336489 /nfs/dbraw/zinc/33/64/89/695336489.db2.gz PJDDNKUINXPDHU-CQSZACIVSA-N 2 2 336.505 1.842 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)on1 ZINC000992828182 695385745 /nfs/dbraw/zinc/38/57/45/695385745.db2.gz BTANLNNPDYNPLL-IAOVAPTHSA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@H]2C1 ZINC000992860797 695419140 /nfs/dbraw/zinc/41/91/40/695419140.db2.gz OCZUVOBLTQQPFQ-QEJZJMRPSA-N 2 2 329.404 1.357 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992870681 695423279 /nfs/dbraw/zinc/42/32/79/695423279.db2.gz DLGANGDUTQSOBX-RBSFLKMASA-N 2 2 343.431 1.666 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)o1 ZINC000992925029 695456497 /nfs/dbraw/zinc/45/64/97/695456497.db2.gz NUZXUGZCMHHDNS-ARFHVFGLSA-N 2 2 343.431 1.596 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)[C@H]1C ZINC000993623826 696288751 /nfs/dbraw/zinc/28/87/51/696288751.db2.gz QRVCRKXMYZRXQK-GOEBONIOSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2C)[C@H]1C ZINC000993623826 696288752 /nfs/dbraw/zinc/28/87/52/696288752.db2.gz QRVCRKXMYZRXQK-GOEBONIOSA-N 2 2 330.436 1.094 20 0 EDADLP CCCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000940007988 700109186 /nfs/dbraw/zinc/10/91/86/700109186.db2.gz CNGUXQBBGWVXAS-AWEZNQCLSA-N 2 2 349.479 1.587 20 0 EDADLP CCCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000940007988 700109187 /nfs/dbraw/zinc/10/91/87/700109187.db2.gz CNGUXQBBGWVXAS-AWEZNQCLSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cncs2)[C@@H]1C ZINC000994417165 696832832 /nfs/dbraw/zinc/83/28/32/696832832.db2.gz CHPXORAKHNPCQV-DOMZBBRYSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cncs2)[C@@H]1C ZINC000994417165 696832835 /nfs/dbraw/zinc/83/28/35/696832835.db2.gz CHPXORAKHNPCQV-DOMZBBRYSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccn2)[C@H]1C ZINC000994409306 696835720 /nfs/dbraw/zinc/83/57/20/696835720.db2.gz QPHXAFVBYTVZMG-YOEHRIQHSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994412408 696838265 /nfs/dbraw/zinc/83/82/65/696838265.db2.gz VERZXPSZSMAYLF-WMZOPIPTSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994412408 696838269 /nfs/dbraw/zinc/83/82/69/696838269.db2.gz VERZXPSZSMAYLF-WMZOPIPTSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1ncccc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994508186 696946831 /nfs/dbraw/zinc/94/68/31/696946831.db2.gz PLKCRZKHSSETMA-WBVHZDCISA-N 2 2 327.432 1.756 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994508186 696946833 /nfs/dbraw/zinc/94/68/33/696946833.db2.gz PLKCRZKHSSETMA-WBVHZDCISA-N 2 2 327.432 1.756 20 0 EDADLP Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994505076 696947814 /nfs/dbraw/zinc/94/78/14/696947814.db2.gz IGNIPQPSUUVCBA-NVXWUHKLSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994505076 696947815 /nfs/dbraw/zinc/94/78/15/696947815.db2.gz IGNIPQPSUUVCBA-NVXWUHKLSA-N 2 2 327.432 1.756 20 0 EDADLP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000918119555 697133463 /nfs/dbraw/zinc/13/34/63/697133463.db2.gz DZZOQFCQWSIDKQ-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031595863 697296091 /nfs/dbraw/zinc/29/60/91/697296091.db2.gz BORBTRLIUUHJRO-MSOLQXFVSA-N 2 2 349.450 1.655 20 0 EDADLP CC[C@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031595863 697296092 /nfs/dbraw/zinc/29/60/92/697296092.db2.gz BORBTRLIUUHJRO-MSOLQXFVSA-N 2 2 349.450 1.655 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000995033412 700151216 /nfs/dbraw/zinc/15/12/16/700151216.db2.gz AGBIRHWLSVCLHO-HUUCEWRRSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)cn1 ZINC001031669141 697464084 /nfs/dbraw/zinc/46/40/84/697464084.db2.gz YAVBOUAVNOLBAS-ZWKOTPCHSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)cn1 ZINC001031669141 697464086 /nfs/dbraw/zinc/46/40/86/697464086.db2.gz YAVBOUAVNOLBAS-ZWKOTPCHSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)o1 ZINC001031669827 697465448 /nfs/dbraw/zinc/46/54/48/697465448.db2.gz VRQAKRLRXIJOFV-CVEARBPZSA-N 2 2 332.448 1.405 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)o1 ZINC001031669827 697465449 /nfs/dbraw/zinc/46/54/49/697465449.db2.gz VRQAKRLRXIJOFV-CVEARBPZSA-N 2 2 332.448 1.405 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](CCOC4CCC4)C3)ccn12 ZINC001031670175 697467245 /nfs/dbraw/zinc/46/72/45/697467245.db2.gz DMWRMHAAXIJSEW-UHFFFAOYSA-N 2 2 342.443 1.873 20 0 EDADLP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943178779 697875658 /nfs/dbraw/zinc/87/56/58/697875658.db2.gz VHRCWDMBCXGZOO-RHSMWYFYSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943178779 697875663 /nfs/dbraw/zinc/87/56/63/697875663.db2.gz VHRCWDMBCXGZOO-RHSMWYFYSA-N 2 2 327.432 1.682 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001032098047 698722999 /nfs/dbraw/zinc/72/29/99/698722999.db2.gz GRAHGLFKRCIKRO-HNNXBMFYSA-N 2 2 340.427 1.570 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943766729 698819833 /nfs/dbraw/zinc/81/98/33/698819833.db2.gz NRRIFQBWYBGKSD-DGCLKSJQSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943766729 698819837 /nfs/dbraw/zinc/81/98/37/698819837.db2.gz NRRIFQBWYBGKSD-DGCLKSJQSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC000995157989 701565748 /nfs/dbraw/zinc/56/57/48/701565748.db2.gz FFKJODLJQCKCSN-GJZGRUSLSA-N 2 2 342.447 1.136 20 0 EDADLP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1)C1CCC1 ZINC001031779309 699174244 /nfs/dbraw/zinc/17/42/44/699174244.db2.gz ODUOVNIHTOQSGI-SJLPKXTDSA-N 2 2 346.475 1.309 20 0 EDADLP O=C(NCC1C[NH+](CCc2cccs2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031782158 699200518 /nfs/dbraw/zinc/20/05/18/699200518.db2.gz BJCVRKBIRROGOB-OAHLLOKOSA-N 2 2 344.484 1.798 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939128728 699207438 /nfs/dbraw/zinc/20/74/38/699207438.db2.gz OURKDTIUSPQKIP-HIFRSBDPSA-N 2 2 334.464 1.651 20 0 EDADLP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941563281 701583996 /nfs/dbraw/zinc/58/39/96/701583996.db2.gz DSHKXUZSJDLDPW-INIZCTEOSA-N 2 2 345.491 1.314 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941563951 701584226 /nfs/dbraw/zinc/58/42/26/701584226.db2.gz QSKKJVBDQKRDHA-INIZCTEOSA-N 2 2 345.491 1.458 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939211188 699359708 /nfs/dbraw/zinc/35/97/08/699359708.db2.gz RAXXOPBVYYZDHS-BXUZGUMPSA-N 2 2 333.823 1.637 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cs1 ZINC000939211961 699360707 /nfs/dbraw/zinc/36/07/07/699360707.db2.gz VMVDRDMJXSXPJL-RISCZKNCSA-N 2 2 333.461 1.608 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)c1 ZINC000939216452 699388403 /nfs/dbraw/zinc/38/84/03/699388403.db2.gz VYDLIIQEIPDNNO-GUYCJALGSA-N 2 2 328.416 1.598 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)sn1 ZINC000939216457 699388437 /nfs/dbraw/zinc/38/84/37/699388437.db2.gz VYWVNGTZVZSHEX-ZWNOBZJWSA-N 2 2 335.433 1.054 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001031807009 699417464 /nfs/dbraw/zinc/41/74/64/699417464.db2.gz XXTXKTDSJRKYQW-YJBOKZPZSA-N 2 2 345.491 1.706 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001031807009 699417466 /nfs/dbraw/zinc/41/74/66/699417466.db2.gz XXTXKTDSJRKYQW-YJBOKZPZSA-N 2 2 345.491 1.706 20 0 EDADLP CCc1nocc1C[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031816612 699517051 /nfs/dbraw/zinc/51/70/51/699517051.db2.gz HCURUCYIDVQCKE-UHFFFAOYSA-N 2 2 339.399 1.747 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939402746 699551709 /nfs/dbraw/zinc/55/17/09/699551709.db2.gz ZPEANXNZSZPZKE-CJNGLKHVSA-N 2 2 344.463 1.675 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C)n1 ZINC000939455346 699601945 /nfs/dbraw/zinc/60/19/45/699601945.db2.gz YOCMOVNYVHVDPO-CJNGLKHVSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)on1 ZINC000939533952 699672169 /nfs/dbraw/zinc/67/21/69/699672169.db2.gz GYYDBQPDBSOKMG-SMDDNHRTSA-N 2 2 331.420 1.620 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCc1ccns1 ZINC000939537351 699678289 /nfs/dbraw/zinc/67/82/89/699678289.db2.gz ZPCIGLLORMSXPE-SWLSCSKDSA-N 2 2 333.461 1.098 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cncs1 ZINC000939541643 699682407 /nfs/dbraw/zinc/68/24/07/699682407.db2.gz PAOBMYXKHBSXIV-WCQYABFASA-N 2 2 333.461 1.781 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)n1 ZINC000939622037 699758992 /nfs/dbraw/zinc/75/89/92/699758992.db2.gz HVVKTLODCWUKNC-LRDDRELGSA-N 2 2 330.436 1.114 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)sn1 ZINC000939623104 699760761 /nfs/dbraw/zinc/76/07/61/699760761.db2.gz QXQHBCKOLVBPNU-BONVTDFDSA-N 2 2 333.461 1.662 20 0 EDADLP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnon2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000994985979 699803938 /nfs/dbraw/zinc/80/39/38/699803938.db2.gz DKIQPJMUUJKGQZ-AAEUAGOBSA-N 2 2 340.387 1.634 20 0 EDADLP CC1([NH2+]C[C@H]2C[C@@]23CCOC3)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144642 700274368 /nfs/dbraw/zinc/27/43/68/700274368.db2.gz MCMHBCQXDLUXFH-DNVCBOLYSA-N 2 2 346.475 1.740 20 0 EDADLP CC1([NH2+]C[C@H]2C[C@@]23CCOC3)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940144642 700274372 /nfs/dbraw/zinc/27/43/72/700274372.db2.gz MCMHBCQXDLUXFH-DNVCBOLYSA-N 2 2 346.475 1.740 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968413 701651796 /nfs/dbraw/zinc/65/17/96/701651796.db2.gz VRECYOQQXMBFLA-LSDHHAIUSA-N 2 2 332.448 1.447 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940396888 700593911 /nfs/dbraw/zinc/59/39/11/700593911.db2.gz AFGOWGHJXRTKAJ-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397053 700594188 /nfs/dbraw/zinc/59/41/88/700594188.db2.gz FRSHXDSWQDNMFN-UHFFFAOYSA-N 2 2 345.451 1.043 20 0 EDADLP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000940441740 700643311 /nfs/dbraw/zinc/64/33/11/700643311.db2.gz RNTYOFNDDOLIBJ-UHFFFAOYSA-N 2 2 344.463 1.648 20 0 EDADLP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000940482705 700670651 /nfs/dbraw/zinc/67/06/51/700670651.db2.gz MSBJODUXVWDEKH-UHFFFAOYSA-N 2 2 343.431 1.458 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)ncn1 ZINC000995106896 700936377 /nfs/dbraw/zinc/93/63/77/700936377.db2.gz NIFRLSFUTVKQER-KBPBESRZSA-N 2 2 328.420 1.125 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940846821 700942023 /nfs/dbraw/zinc/94/20/23/700942023.db2.gz JBRIIYRPWNPPHU-GDBMZVCRSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940846821 700942024 /nfs/dbraw/zinc/94/20/24/700942024.db2.gz JBRIIYRPWNPPHU-GDBMZVCRSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)o1 ZINC000941002712 701036562 /nfs/dbraw/zinc/03/65/62/701036562.db2.gz LEFPUIQPVKIARY-OAHLLOKOSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)o1 ZINC000941002712 701036564 /nfs/dbraw/zinc/03/65/64/701036564.db2.gz LEFPUIQPVKIARY-OAHLLOKOSA-N 2 2 349.479 1.437 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001031919282 701045404 /nfs/dbraw/zinc/04/54/04/701045404.db2.gz QRSCLYKIXACHHP-HNNXBMFYSA-N 2 2 336.505 1.813 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001031919282 701045406 /nfs/dbraw/zinc/04/54/06/701045406.db2.gz QRSCLYKIXACHHP-HNNXBMFYSA-N 2 2 336.505 1.813 20 0 EDADLP C[C@H](O)[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353833680 701055397 /nfs/dbraw/zinc/05/53/97/701055397.db2.gz FOHFXDPKPDUGEM-GJZGRUSLSA-N 2 2 326.485 1.005 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941033816 701077278 /nfs/dbraw/zinc/07/72/78/701077278.db2.gz VVAJXXWNQRABLW-UKRRQHHQSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941033816 701077281 /nfs/dbraw/zinc/07/72/81/701077281.db2.gz VVAJXXWNQRABLW-UKRRQHHQSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000941033816 701077283 /nfs/dbraw/zinc/07/72/83/701077283.db2.gz VVAJXXWNQRABLW-UKRRQHHQSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000941033816 701077285 /nfs/dbraw/zinc/07/72/85/701077285.db2.gz VVAJXXWNQRABLW-UKRRQHHQSA-N 2 2 335.452 1.271 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995119303 701105020 /nfs/dbraw/zinc/10/50/20/701105020.db2.gz WRADUGLKPMFXMH-HOCLYGCPSA-N 2 2 327.432 1.730 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810405 701203303 /nfs/dbraw/zinc/20/33/03/701203303.db2.gz XJBDMQYMBHDKJU-TZMCWYRMSA-N 2 2 326.391 1.755 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810405 701203306 /nfs/dbraw/zinc/20/33/06/701203306.db2.gz XJBDMQYMBHDKJU-TZMCWYRMSA-N 2 2 326.391 1.755 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)n1 ZINC000941167240 701378081 /nfs/dbraw/zinc/37/80/81/701378081.db2.gz SISBCDDRLFPSLO-CQSZACIVSA-N 2 2 347.463 1.191 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)n1 ZINC000941167240 701378082 /nfs/dbraw/zinc/37/80/82/701378082.db2.gz SISBCDDRLFPSLO-CQSZACIVSA-N 2 2 347.463 1.191 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCCO2)CC1(C)C ZINC000941167506 701378630 /nfs/dbraw/zinc/37/86/30/701378630.db2.gz WFEBLRGMWYMUAJ-SJORKVTESA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCCO2)CC1(C)C ZINC000941167506 701378632 /nfs/dbraw/zinc/37/86/32/701378632.db2.gz WFEBLRGMWYMUAJ-SJORKVTESA-N 2 2 348.491 1.748 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186639 701391380 /nfs/dbraw/zinc/39/13/80/701391380.db2.gz NDBVPOYGUSFBMK-MRXNPFEDSA-N 2 2 345.447 1.974 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000941186639 701391381 /nfs/dbraw/zinc/39/13/81/701391381.db2.gz NDBVPOYGUSFBMK-MRXNPFEDSA-N 2 2 345.447 1.974 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnoc2C)CC1(C)C ZINC000941187218 701391532 /nfs/dbraw/zinc/39/15/32/701391532.db2.gz WNANDNIMYGKWRM-MRXNPFEDSA-N 2 2 345.447 1.974 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cnoc2C)CC1(C)C ZINC000941187218 701391534 /nfs/dbraw/zinc/39/15/34/701391534.db2.gz WNANDNIMYGKWRM-MRXNPFEDSA-N 2 2 345.447 1.974 20 0 EDADLP CC1(C)C[N@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247908 701424453 /nfs/dbraw/zinc/42/44/53/701424453.db2.gz RNQNMHLAGNAOEQ-QGZVFWFLSA-N 2 2 348.491 1.917 20 0 EDADLP CC1(C)C[N@@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247908 701424454 /nfs/dbraw/zinc/42/44/54/701424454.db2.gz RNQNMHLAGNAOEQ-QGZVFWFLSA-N 2 2 348.491 1.917 20 0 EDADLP CC1(C)C[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252509 701427231 /nfs/dbraw/zinc/42/72/31/701427231.db2.gz ACCAOONHLQNJFB-HOTGVXAUSA-N 2 2 334.464 1.526 20 0 EDADLP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941252509 701427233 /nfs/dbraw/zinc/42/72/33/701427233.db2.gz ACCAOONHLQNJFB-HOTGVXAUSA-N 2 2 334.464 1.526 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941237034 701427830 /nfs/dbraw/zinc/42/78/30/701427830.db2.gz GHOFSCYZHGWOSH-JKSUJKDBSA-N 2 2 349.479 1.661 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000941237034 701427831 /nfs/dbraw/zinc/42/78/31/701427831.db2.gz GHOFSCYZHGWOSH-JKSUJKDBSA-N 2 2 349.479 1.661 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000941237034 701427832 /nfs/dbraw/zinc/42/78/32/701427832.db2.gz GHOFSCYZHGWOSH-JKSUJKDBSA-N 2 2 349.479 1.661 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000941237034 701427833 /nfs/dbraw/zinc/42/78/33/701427833.db2.gz GHOFSCYZHGWOSH-JKSUJKDBSA-N 2 2 349.479 1.661 20 0 EDADLP CC(C)CC[NH+]1CC(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000941433483 701538974 /nfs/dbraw/zinc/53/89/74/701538974.db2.gz WYJPLSXMUMLYNE-UHFFFAOYSA-N 2 2 333.480 1.217 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC000995180112 701944416 /nfs/dbraw/zinc/94/44/16/701944416.db2.gz DJVLLJYRANLFDR-KBPBESRZSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1C ZINC000944444101 702029131 /nfs/dbraw/zinc/02/91/31/702029131.db2.gz IODVXCJQHAZHST-BBRMVZONSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1C ZINC000944444101 702029135 /nfs/dbraw/zinc/02/91/35/702029135.db2.gz IODVXCJQHAZHST-BBRMVZONSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nccn2C)C1 ZINC000995185327 702122629 /nfs/dbraw/zinc/12/26/29/702122629.db2.gz NLKGOFHVBDZLGE-ZIAGYGMSSA-N 2 2 330.436 1.069 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cnc(C)cn2)C1 ZINC001032206133 702129085 /nfs/dbraw/zinc/12/90/85/702129085.db2.gz SJANJIFARFBJGW-QGZVFWFLSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995899245 702203657 /nfs/dbraw/zinc/20/36/57/702203657.db2.gz VWYGHHRIEWXQQZ-DZGCQCFKSA-N 2 2 335.452 1.045 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)nc1 ZINC000995975712 702332386 /nfs/dbraw/zinc/33/23/86/702332386.db2.gz JNXFFOHTXMMUBU-HOTGVXAUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)nc1 ZINC000995975712 702332395 /nfs/dbraw/zinc/33/23/95/702332395.db2.gz JNXFFOHTXMMUBU-HOTGVXAUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996043620 702460873 /nfs/dbraw/zinc/46/08/73/702460873.db2.gz OMFMQBDARCHGRK-ZDUSSCGKSA-N 2 2 334.449 1.070 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)C1 ZINC000996108483 702533002 /nfs/dbraw/zinc/53/30/02/702533002.db2.gz WSMPQHWJUBZQTE-OFLPRAFFSA-N 2 2 348.491 1.915 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000996105294 702565235 /nfs/dbraw/zinc/56/52/35/702565235.db2.gz IAOIQWJZBIFOTC-MRXNPFEDSA-N 2 2 345.422 1.834 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942173162 702683811 /nfs/dbraw/zinc/68/38/11/702683811.db2.gz OJRXIGAOCQGDMK-HOCLYGCPSA-N 2 2 347.463 1.272 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942173162 702683813 /nfs/dbraw/zinc/68/38/13/702683813.db2.gz OJRXIGAOCQGDMK-HOCLYGCPSA-N 2 2 347.463 1.272 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996301491 702693342 /nfs/dbraw/zinc/69/33/42/702693342.db2.gz UFPLUXLZBICNST-TZMCWYRMSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2(C)C)o1 ZINC000996312305 702701119 /nfs/dbraw/zinc/70/11/19/702701119.db2.gz YQVKXUHOJWPQPE-AWEZNQCLSA-N 2 2 349.479 1.437 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1)[NH+](C)C ZINC000996315620 702703789 /nfs/dbraw/zinc/70/37/89/702703789.db2.gz QDKVZYIPKDGONX-QWHCGFSZSA-N 2 2 325.482 1.205 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1(C)C ZINC000996373519 702740734 /nfs/dbraw/zinc/74/07/34/702740734.db2.gz FVCKUWGNVJCRKP-MRXNPFEDSA-N 2 2 337.508 1.866 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)C(C)(C)C1 ZINC000996513236 702832471 /nfs/dbraw/zinc/83/24/71/702832471.db2.gz HPUOICFBGJAFIF-CVEARBPZSA-N 2 2 348.491 1.604 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996519748 702855853 /nfs/dbraw/zinc/85/58/53/702855853.db2.gz QMZVVWJDMRXXQJ-ZIAGYGMSSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996519748 702855855 /nfs/dbraw/zinc/85/58/55/702855855.db2.gz QMZVVWJDMRXXQJ-ZIAGYGMSSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2nccnc2C)C(C)(C)C1 ZINC000996563888 702885172 /nfs/dbraw/zinc/88/51/72/702885172.db2.gz QEMZGBXKIWGOIT-INIZCTEOSA-N 2 2 342.447 1.386 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)c1csnn1 ZINC000996612506 702917616 /nfs/dbraw/zinc/91/76/16/702917616.db2.gz RDXBUOSNFXVDEI-TZMCWYRMSA-N 2 2 337.493 1.522 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)on1 ZINC000996651491 702941339 /nfs/dbraw/zinc/94/13/39/702941339.db2.gz QPANFZMZSAJCGG-UHFFFAOYSA-N 2 2 333.392 1.120 20 0 EDADLP C[NH+](C)C1(C(=O)N2CCC([NH2+]Cc3noc(C4CC4)n3)CC2)CCC1 ZINC000996663757 702961770 /nfs/dbraw/zinc/96/17/70/702961770.db2.gz JUJAEXKHENHXPZ-UHFFFAOYSA-N 2 2 347.463 1.512 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000996669500 702970963 /nfs/dbraw/zinc/97/09/63/702970963.db2.gz GHCNCHVXNYXFPD-GJZGRUSLSA-N 2 2 349.479 1.579 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000996669500 702970965 /nfs/dbraw/zinc/97/09/65/702970965.db2.gz GHCNCHVXNYXFPD-GJZGRUSLSA-N 2 2 349.479 1.579 20 0 EDADLP COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)ccc1C ZINC001032315747 702980587 /nfs/dbraw/zinc/98/05/87/702980587.db2.gz WUSUWECAUGRUIB-OKZBNKHCSA-N 2 2 343.471 1.883 20 0 EDADLP COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)ccc1C ZINC001032315747 702980588 /nfs/dbraw/zinc/98/05/88/702980588.db2.gz WUSUWECAUGRUIB-OKZBNKHCSA-N 2 2 343.471 1.883 20 0 EDADLP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)ccc1C ZINC001032315747 702980592 /nfs/dbraw/zinc/98/05/92/702980592.db2.gz WUSUWECAUGRUIB-OKZBNKHCSA-N 2 2 343.471 1.883 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)ncn1 ZINC000996713314 703007929 /nfs/dbraw/zinc/00/79/29/703007929.db2.gz IANISJHKJOHTNW-HNNXBMFYSA-N 2 2 328.420 1.008 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000996714649 703009585 /nfs/dbraw/zinc/00/95/85/703009585.db2.gz LVHDGGQUESZFHD-SJORKVTESA-N 2 2 342.443 1.443 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC000942517548 703010474 /nfs/dbraw/zinc/01/04/74/703010474.db2.gz BLISGNLHRKWVIW-MLGOLLRUSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C[C@H]1C ZINC000942517548 703010477 /nfs/dbraw/zinc/01/04/77/703010477.db2.gz BLISGNLHRKWVIW-MLGOLLRUSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996740144 703035579 /nfs/dbraw/zinc/03/55/79/703035579.db2.gz SKGJNSNRUZDQLS-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)no1 ZINC000996757802 703046459 /nfs/dbraw/zinc/04/64/59/703046459.db2.gz MYCHXBLJSBPAFX-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000996800029 703086037 /nfs/dbraw/zinc/08/60/37/703086037.db2.gz DDHPDDACUYDVMJ-UHFFFAOYSA-N 2 2 344.419 1.233 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCCCC2)C1 ZINC001032331615 703112046 /nfs/dbraw/zinc/11/20/46/703112046.db2.gz GNLPBTLJACIBOI-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCCCCC2)C1 ZINC001032331615 703112048 /nfs/dbraw/zinc/11/20/48/703112048.db2.gz GNLPBTLJACIBOI-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCCC2)C1 ZINC001032331615 703112050 /nfs/dbraw/zinc/11/20/50/703112050.db2.gz GNLPBTLJACIBOI-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCCC2)C1 ZINC001032331615 703112051 /nfs/dbraw/zinc/11/20/51/703112051.db2.gz GNLPBTLJACIBOI-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000942598106 703112788 /nfs/dbraw/zinc/11/27/88/703112788.db2.gz RLPJKYUDBDXNQJ-NVXWUHKLSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000942598106 703112789 /nfs/dbraw/zinc/11/27/89/703112789.db2.gz RLPJKYUDBDXNQJ-NVXWUHKLSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942598177 703113238 /nfs/dbraw/zinc/11/32/38/703113238.db2.gz SMYCCZIWXLLVHJ-DOMZBBRYSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942598177 703113240 /nfs/dbraw/zinc/11/32/40/703113240.db2.gz SMYCCZIWXLLVHJ-DOMZBBRYSA-N 2 2 335.452 1.046 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC000996853440 703131927 /nfs/dbraw/zinc/13/19/27/703131927.db2.gz DFKURUAIMRYRHP-AAEUAGOBSA-N 2 2 330.354 1.589 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC000996854024 703132177 /nfs/dbraw/zinc/13/21/77/703132177.db2.gz FHRQBQPTBAOZBK-RYUDHWBXSA-N 2 2 330.354 1.589 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996860272 703143556 /nfs/dbraw/zinc/14/35/56/703143556.db2.gz QODLSIWZEFJRAI-UHFFFAOYSA-N 2 2 345.451 1.226 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)s1 ZINC000996861453 703144828 /nfs/dbraw/zinc/14/48/28/703144828.db2.gz WNIGDOQBRARGJV-UHFFFAOYSA-N 2 2 334.449 1.214 20 0 EDADLP CCc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996980586 703235990 /nfs/dbraw/zinc/23/59/90/703235990.db2.gz SHLPALOJRQFOSH-UKRRQHHQSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996980586 703235991 /nfs/dbraw/zinc/23/59/91/703235991.db2.gz SHLPALOJRQFOSH-UKRRQHHQSA-N 2 2 349.479 1.443 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cscn2)CC1 ZINC000996980649 703236032 /nfs/dbraw/zinc/23/60/32/703236032.db2.gz SOHCXKQLSXVJCA-CJNGLKHVSA-N 2 2 336.505 1.954 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cscn2)CC1 ZINC000996980649 703236033 /nfs/dbraw/zinc/23/60/33/703236033.db2.gz SOHCXKQLSXVJCA-CJNGLKHVSA-N 2 2 336.505 1.954 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC000996994889 703251845 /nfs/dbraw/zinc/25/18/45/703251845.db2.gz LPCFIBHBXDESCQ-AWEZNQCLSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)no1 ZINC000996994889 703251846 /nfs/dbraw/zinc/25/18/46/703251846.db2.gz LPCFIBHBXDESCQ-AWEZNQCLSA-N 2 2 349.479 1.758 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000997001322 703258335 /nfs/dbraw/zinc/25/83/35/703258335.db2.gz UDZRVWZYPZFQGC-ZDUSSCGKSA-N 2 2 347.463 1.512 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000997001322 703258337 /nfs/dbraw/zinc/25/83/37/703258337.db2.gz UDZRVWZYPZFQGC-ZDUSSCGKSA-N 2 2 347.463 1.512 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)sc1C ZINC000997042424 703292304 /nfs/dbraw/zinc/29/23/04/703292304.db2.gz PKCZMJOGBIKGPT-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+]Cc2ncccn2)CC1)n1cc[nH+]c1 ZINC000997046569 703295392 /nfs/dbraw/zinc/29/53/92/703295392.db2.gz QROIJNZVVXXLDX-AWEZNQCLSA-N 2 2 328.420 1.405 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]Cc2nncs2)CC1)n1cc[nH+]c1 ZINC000997048704 703297338 /nfs/dbraw/zinc/29/73/38/703297338.db2.gz IUMCJEOWRBUXIL-GFCCVEGCSA-N 2 2 334.449 1.467 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000997081943 703320509 /nfs/dbraw/zinc/32/05/09/703320509.db2.gz ANILLOGYTXEUHG-LSDHHAIUSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000997081943 703320511 /nfs/dbraw/zinc/32/05/11/703320511.db2.gz ANILLOGYTXEUHG-LSDHHAIUSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)ncn1 ZINC000997087582 703325828 /nfs/dbraw/zinc/32/58/28/703325828.db2.gz YOIZMMYGYGKXEL-ZDUSSCGKSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)ncn1 ZINC000997087582 703325830 /nfs/dbraw/zinc/32/58/30/703325830.db2.gz YOIZMMYGYGKXEL-ZDUSSCGKSA-N 2 2 342.447 1.468 20 0 EDADLP C[C@H]1C[N@H+](CCF)CC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000942839332 703353088 /nfs/dbraw/zinc/35/30/88/703353088.db2.gz SCBBZYQZEGPKRL-DZGCQCFKSA-N 2 2 338.427 1.680 20 0 EDADLP C[C@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000942839332 703353090 /nfs/dbraw/zinc/35/30/90/703353090.db2.gz SCBBZYQZEGPKRL-DZGCQCFKSA-N 2 2 338.427 1.680 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000997129518 703388609 /nfs/dbraw/zinc/38/86/09/703388609.db2.gz ZRMMTEXXCBSVNC-GFCCVEGCSA-N 2 2 326.391 1.968 20 0 EDADLP Cc1nn(C)c(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1Cl ZINC000921537383 703409648 /nfs/dbraw/zinc/40/96/48/703409648.db2.gz BMXLGGTXBPTIBP-UHFFFAOYSA-N 2 2 348.882 1.819 20 0 EDADLP Cn1nccc1CC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997181644 703466626 /nfs/dbraw/zinc/46/66/26/703466626.db2.gz BLZJGTFFNBPUMR-UHFFFAOYSA-N 2 2 344.463 1.244 20 0 EDADLP C[C@H]1CC[C@H](C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)O1 ZINC000997183447 703468918 /nfs/dbraw/zinc/46/89/18/703468918.db2.gz PPPQTURMMNRBBK-DZGCQCFKSA-N 2 2 334.464 1.835 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000997221731 703499654 /nfs/dbraw/zinc/49/96/54/703499654.db2.gz NTFBFSXFRLNYQQ-UHFFFAOYSA-N 2 2 344.419 1.302 20 0 EDADLP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001032437969 703606859 /nfs/dbraw/zinc/60/68/59/703606859.db2.gz YGMUVXFIQKKION-YESZJQIVSA-N 2 2 332.448 1.443 20 0 EDADLP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001032437969 703606860 /nfs/dbraw/zinc/60/68/60/703606860.db2.gz YGMUVXFIQKKION-YESZJQIVSA-N 2 2 332.448 1.443 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032433884 703612224 /nfs/dbraw/zinc/61/22/24/703612224.db2.gz UGKHDIJQSGTBFZ-ZOBUZTSGSA-N 2 2 348.516 1.845 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032433884 703612226 /nfs/dbraw/zinc/61/22/26/703612226.db2.gz UGKHDIJQSGTBFZ-ZOBUZTSGSA-N 2 2 348.516 1.845 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1 ZINC001032433884 703612228 /nfs/dbraw/zinc/61/22/28/703612228.db2.gz UGKHDIJQSGTBFZ-ZOBUZTSGSA-N 2 2 348.516 1.845 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1 ZINC001032433884 703612230 /nfs/dbraw/zinc/61/22/30/703612230.db2.gz UGKHDIJQSGTBFZ-ZOBUZTSGSA-N 2 2 348.516 1.845 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC000997413944 703668521 /nfs/dbraw/zinc/66/85/21/703668521.db2.gz WWJIPPZSRQARFN-NSHDSACASA-N 2 2 334.449 1.385 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[N@H+]2C)c(C)n1 ZINC001032479145 703714199 /nfs/dbraw/zinc/71/41/99/703714199.db2.gz GNGROQIVPDIQBX-GBESFXJTSA-N 2 2 342.487 1.968 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[N@@H+]2C)c(C)n1 ZINC001032479145 703714200 /nfs/dbraw/zinc/71/42/00/703714200.db2.gz GNGROQIVPDIQBX-GBESFXJTSA-N 2 2 342.487 1.968 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[NH+]2C)c(C)n1 ZINC001032479145 703714201 /nfs/dbraw/zinc/71/42/01/703714201.db2.gz GNGROQIVPDIQBX-GBESFXJTSA-N 2 2 342.487 1.968 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[NH+]2C)c(C)n1 ZINC001032479145 703714202 /nfs/dbraw/zinc/71/42/02/703714202.db2.gz GNGROQIVPDIQBX-GBESFXJTSA-N 2 2 342.487 1.968 20 0 EDADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001032498188 703796323 /nfs/dbraw/zinc/79/63/23/703796323.db2.gz KORFNMXBFXZIAM-ROUUACIJSA-N 2 2 340.471 1.804 20 0 EDADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001032498188 703796324 /nfs/dbraw/zinc/79/63/24/703796324.db2.gz KORFNMXBFXZIAM-ROUUACIJSA-N 2 2 340.471 1.804 20 0 EDADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCCO1 ZINC001032500781 703819326 /nfs/dbraw/zinc/81/93/26/703819326.db2.gz DUOUBIBGIMCFLT-OKZBNKHCSA-N 2 2 340.427 1.802 20 0 EDADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCCO1 ZINC001032500781 703819329 /nfs/dbraw/zinc/81/93/29/703819329.db2.gz DUOUBIBGIMCFLT-OKZBNKHCSA-N 2 2 340.427 1.802 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922533912 703936048 /nfs/dbraw/zinc/93/60/48/703936048.db2.gz PJAQAHIBDFCVEG-GFCCVEGCSA-N 2 2 327.498 1.733 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922533912 703936051 /nfs/dbraw/zinc/93/60/51/703936051.db2.gz PJAQAHIBDFCVEG-GFCCVEGCSA-N 2 2 327.498 1.733 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC[NH+](CCCO)CC1 ZINC000997648984 703964612 /nfs/dbraw/zinc/96/46/12/703964612.db2.gz MDBLYIYSRWVVPA-GOEBONIOSA-N 2 2 334.464 1.045 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C(C)(C)C1 ZINC000995553836 703966097 /nfs/dbraw/zinc/96/60/97/703966097.db2.gz UJSCTLSPXZZTOJ-KBPBESRZSA-N 2 2 346.479 1.103 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C(C)(C)C1 ZINC000995553836 703966099 /nfs/dbraw/zinc/96/60/99/703966099.db2.gz UJSCTLSPXZZTOJ-KBPBESRZSA-N 2 2 346.479 1.103 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001004207766 703967271 /nfs/dbraw/zinc/96/72/71/703967271.db2.gz JCHMLRKWXDANDD-KRWDZBQOSA-N 2 2 333.480 1.375 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001004207766 703967274 /nfs/dbraw/zinc/96/72/74/703967274.db2.gz JCHMLRKWXDANDD-KRWDZBQOSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CC(C)(C)CO1 ZINC001032535173 704567966 /nfs/dbraw/zinc/56/79/66/704567966.db2.gz VXXRJJGIFPFHFA-HRCADAONSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CC(C)(C)CO1 ZINC001032535173 704567968 /nfs/dbraw/zinc/56/79/68/704567968.db2.gz VXXRJJGIFPFHFA-HRCADAONSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1ccc(C[NH2+]CC2CCN(C(=O)CCc3[nH+]ccn3C)CC2)n1 ZINC000997931095 705026910 /nfs/dbraw/zinc/02/69/10/705026910.db2.gz WZQBYIBDBYIOEY-UHFFFAOYSA-N 2 2 344.463 1.115 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3[nH+]ccn3C)CC2)on1 ZINC000997931093 705026996 /nfs/dbraw/zinc/02/69/96/705026996.db2.gz WWWBCMATPQLJAY-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997944255 705062819 /nfs/dbraw/zinc/06/28/19/705062819.db2.gz QDTIHMGHGANWMV-SFHVURJKSA-N 2 2 337.508 1.726 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997944255 705062823 /nfs/dbraw/zinc/06/28/23/705062823.db2.gz QDTIHMGHGANWMV-SFHVURJKSA-N 2 2 337.508 1.726 20 0 EDADLP Cc1nccnc1C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000997953286 705081729 /nfs/dbraw/zinc/08/17/29/705081729.db2.gz TXFONUBOSMCPMG-UHFFFAOYSA-N 2 2 342.447 1.400 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC000997962578 705097832 /nfs/dbraw/zinc/09/78/32/705097832.db2.gz VJJYXHPONKOFDF-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000997962578 705097839 /nfs/dbraw/zinc/09/78/39/705097839.db2.gz VJJYXHPONKOFDF-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000997962578 705097845 /nfs/dbraw/zinc/09/78/45/705097845.db2.gz VJJYXHPONKOFDF-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](CC(C)C)CC1 ZINC000997962578 705097851 /nfs/dbraw/zinc/09/78/51/705097851.db2.gz VJJYXHPONKOFDF-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998051090 705253933 /nfs/dbraw/zinc/25/39/33/705253933.db2.gz LBSCNEMJSLMNAG-CQSZACIVSA-N 2 2 338.452 1.045 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998051090 705253936 /nfs/dbraw/zinc/25/39/36/705253936.db2.gz LBSCNEMJSLMNAG-CQSZACIVSA-N 2 2 338.452 1.045 20 0 EDADLP Cn1cc(C[NH2+]CC2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)cn1 ZINC000998222657 705549349 /nfs/dbraw/zinc/54/93/49/705549349.db2.gz JLLLXOZUZMJWOM-UHFFFAOYSA-N 2 2 344.463 1.449 20 0 EDADLP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000998269937 705647427 /nfs/dbraw/zinc/64/74/27/705647427.db2.gz RNVRVFXRVFIMFF-LBPRGKRZSA-N 2 2 346.435 1.472 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC000998301391 705699260 /nfs/dbraw/zinc/69/92/60/705699260.db2.gz GSZYQFOUPJNMJZ-NWDGAFQWSA-N 2 2 336.333 1.301 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999038078 706453723 /nfs/dbraw/zinc/45/37/23/706453723.db2.gz DFPZQNAUHXUBSL-KRWDZBQOSA-N 2 2 342.443 1.615 20 0 EDADLP CC(C)n1cc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC000999046598 706487944 /nfs/dbraw/zinc/48/79/44/706487944.db2.gz UKXXYPUJQNMZHN-CQSZACIVSA-N 2 2 345.451 1.296 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999368330 706882144 /nfs/dbraw/zinc/88/21/44/706882144.db2.gz HIYDBFKRVDZJDN-LSDHHAIUSA-N 2 2 340.431 1.331 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)no1 ZINC000999369693 706883607 /nfs/dbraw/zinc/88/36/07/706883607.db2.gz KGGBFSHVZRAKDV-HOCLYGCPSA-N 2 2 343.431 1.838 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)no1 ZINC000999404778 706912793 /nfs/dbraw/zinc/91/27/93/706912793.db2.gz CDRFMEUZCOCUKX-WLYUNCDWSA-N 2 2 349.479 1.585 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)no1 ZINC000999404778 706912796 /nfs/dbraw/zinc/91/27/96/706912796.db2.gz CDRFMEUZCOCUKX-WLYUNCDWSA-N 2 2 349.479 1.585 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999413624 706923619 /nfs/dbraw/zinc/92/36/19/706923619.db2.gz SOVLKRWNCDVZDA-BZUAXINKSA-N 2 2 342.447 1.336 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000999413624 706923622 /nfs/dbraw/zinc/92/36/22/706923622.db2.gz SOVLKRWNCDVZDA-BZUAXINKSA-N 2 2 342.447 1.336 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000999495912 707032596 /nfs/dbraw/zinc/03/25/96/707032596.db2.gz MFHPPYBSBKIZRP-ZBFHGGJFSA-N 2 2 333.432 1.250 20 0 EDADLP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999537360 707037785 /nfs/dbraw/zinc/03/77/85/707037785.db2.gz RPUATUKGVWKTMH-ZBFHGGJFSA-N 2 2 343.431 1.523 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033266680 707294346 /nfs/dbraw/zinc/29/43/46/707294346.db2.gz PQVAQWMLDBWNPA-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033266680 707294352 /nfs/dbraw/zinc/29/43/52/707294352.db2.gz PQVAQWMLDBWNPA-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)on1 ZINC001033268757 707311646 /nfs/dbraw/zinc/31/16/46/707311646.db2.gz BQFRZJNXAZVNPS-INIZCTEOSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)on1 ZINC001033268757 707311652 /nfs/dbraw/zinc/31/16/52/707311652.db2.gz BQFRZJNXAZVNPS-INIZCTEOSA-N 2 2 339.399 1.977 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)on1 ZINC000999840317 707413031 /nfs/dbraw/zinc/41/30/31/707413031.db2.gz DBJOIYRUZGVREY-CYBMUJFWSA-N 2 2 333.392 1.051 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001033197594 707417156 /nfs/dbraw/zinc/41/71/56/707417156.db2.gz IQNHXUAOYMWMAB-IRXDYDNUSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001033197594 707417159 /nfs/dbraw/zinc/41/71/59/707417159.db2.gz IQNHXUAOYMWMAB-IRXDYDNUSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001033197594 707417161 /nfs/dbraw/zinc/41/71/61/707417161.db2.gz IQNHXUAOYMWMAB-IRXDYDNUSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001033197594 707417163 /nfs/dbraw/zinc/41/71/63/707417163.db2.gz IQNHXUAOYMWMAB-IRXDYDNUSA-N 2 2 331.464 1.302 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033198434 707461432 /nfs/dbraw/zinc/46/14/32/707461432.db2.gz LMJFKUXMAYWHSJ-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033198434 707461436 /nfs/dbraw/zinc/46/14/36/707461436.db2.gz LMJFKUXMAYWHSJ-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001033198434 707461440 /nfs/dbraw/zinc/46/14/40/707461440.db2.gz LMJFKUXMAYWHSJ-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001033198434 707461445 /nfs/dbraw/zinc/46/14/45/707461445.db2.gz LMJFKUXMAYWHSJ-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)ncn1 ZINC001033318358 707511004 /nfs/dbraw/zinc/51/10/04/707511004.db2.gz IEVKVLZQXRHUFI-QGZVFWFLSA-N 2 2 345.491 1.692 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)ncn1 ZINC001033318358 707511011 /nfs/dbraw/zinc/51/10/11/707511011.db2.gz IEVKVLZQXRHUFI-QGZVFWFLSA-N 2 2 345.491 1.692 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033366816 707664034 /nfs/dbraw/zinc/66/40/34/707664034.db2.gz VWYTXAGRGDVSQT-OAHLLOKOSA-N 2 2 345.447 1.421 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033366816 707664038 /nfs/dbraw/zinc/66/40/38/707664038.db2.gz VWYTXAGRGDVSQT-OAHLLOKOSA-N 2 2 345.447 1.421 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033208411 707675908 /nfs/dbraw/zinc/67/59/08/707675908.db2.gz NWRAGJMTFCWXLV-STQMWFEESA-N 2 2 344.381 1.931 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033208411 707675912 /nfs/dbraw/zinc/67/59/12/707675912.db2.gz NWRAGJMTFCWXLV-STQMWFEESA-N 2 2 344.381 1.931 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnsn3)C2)CC[N@@H+]1C ZINC001000022207 707688780 /nfs/dbraw/zinc/68/87/80/707688780.db2.gz XQKXAYDBVPERCR-IHRRRGAJSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnsn3)C2)CC[N@H+]1C ZINC001000022207 707688783 /nfs/dbraw/zinc/68/87/83/707688783.db2.gz XQKXAYDBVPERCR-IHRRRGAJSA-N 2 2 337.493 1.349 20 0 EDADLP C[NH+](C)[C@@](C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO)c1ccccc1 ZINC001032725251 707711274 /nfs/dbraw/zinc/71/12/74/707711274.db2.gz GFMTZAVFRPBDAU-JENIJYKNSA-N 2 2 331.460 1.131 20 0 EDADLP C[NH+](C)[C@@](C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO)c1ccccc1 ZINC001032725251 707711277 /nfs/dbraw/zinc/71/12/77/707711277.db2.gz GFMTZAVFRPBDAU-JENIJYKNSA-N 2 2 331.460 1.131 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033397584 707738119 /nfs/dbraw/zinc/73/81/19/707738119.db2.gz TXNQPLGIMAZBTL-SWLSCSKDSA-N 2 2 335.452 1.314 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033397584 707738123 /nfs/dbraw/zinc/73/81/23/707738123.db2.gz TXNQPLGIMAZBTL-SWLSCSKDSA-N 2 2 335.452 1.314 20 0 EDADLP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)nn1C ZINC001004959908 707774832 /nfs/dbraw/zinc/77/48/32/707774832.db2.gz ZJGXTFPKSXFUOR-PBHICJAKSA-N 2 2 344.463 1.554 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)nn1 ZINC001033416168 707794774 /nfs/dbraw/zinc/79/47/74/707794774.db2.gz OIOVPTCOVAORIV-ZBFHGGJFSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)nn1 ZINC001033416168 707794777 /nfs/dbraw/zinc/79/47/77/707794777.db2.gz OIOVPTCOVAORIV-ZBFHGGJFSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001033416168 707794778 /nfs/dbraw/zinc/79/47/78/707794778.db2.gz OIOVPTCOVAORIV-ZBFHGGJFSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001033416168 707794780 /nfs/dbraw/zinc/79/47/80/707794780.db2.gz OIOVPTCOVAORIV-ZBFHGGJFSA-N 2 2 347.463 1.002 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc3n2CCOC3)nc[nH+]1 ZINC000921702045 707836951 /nfs/dbraw/zinc/83/69/51/707836951.db2.gz WLYZXWIEKLASEF-CYBMUJFWSA-N 2 2 343.435 1.004 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001061604207 707847977 /nfs/dbraw/zinc/84/79/77/707847977.db2.gz KRSXXCUKRDQZIS-GOEBONIOSA-N 2 2 343.475 1.557 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001061604207 707847981 /nfs/dbraw/zinc/84/79/81/707847981.db2.gz KRSXXCUKRDQZIS-GOEBONIOSA-N 2 2 343.475 1.557 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)ncn1 ZINC001033427040 707850373 /nfs/dbraw/zinc/85/03/73/707850373.db2.gz XIPLCOFOXBSZDO-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)ncn1 ZINC001033427040 707850377 /nfs/dbraw/zinc/85/03/77/707850377.db2.gz XIPLCOFOXBSZDO-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)ncn1 ZINC001033427040 707850380 /nfs/dbraw/zinc/85/03/80/707850380.db2.gz XIPLCOFOXBSZDO-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)ncn1 ZINC001033427040 707850385 /nfs/dbraw/zinc/85/03/85/707850385.db2.gz XIPLCOFOXBSZDO-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033430390 707860873 /nfs/dbraw/zinc/86/08/73/707860873.db2.gz RKIQENKTBOGFTJ-DJIMGWMZSA-N 2 2 346.475 1.625 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033430390 707860876 /nfs/dbraw/zinc/86/08/76/707860876.db2.gz RKIQENKTBOGFTJ-DJIMGWMZSA-N 2 2 346.475 1.625 20 0 EDADLP Cc1ccncc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005208669 708234135 /nfs/dbraw/zinc/23/41/35/708234135.db2.gz FUGDEMXOXVDGMB-GOSISDBHSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1ccncc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005208669 708234138 /nfs/dbraw/zinc/23/41/38/708234138.db2.gz FUGDEMXOXVDGMB-GOSISDBHSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1ncccc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001044880072 708260388 /nfs/dbraw/zinc/26/03/88/708260388.db2.gz YCHGLMYIUPKBDO-WMLDXEAASA-N 2 2 327.432 1.756 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033592901 708292181 /nfs/dbraw/zinc/29/21/81/708292181.db2.gz JDKUOCOYWDAGKS-CQSZACIVSA-N 2 2 332.448 1.366 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033592901 708292183 /nfs/dbraw/zinc/29/21/83/708292183.db2.gz JDKUOCOYWDAGKS-CQSZACIVSA-N 2 2 332.448 1.366 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033657923 708429587 /nfs/dbraw/zinc/42/95/87/708429587.db2.gz OMAKKHZYOSKSPN-OAHLLOKOSA-N 2 2 332.448 1.681 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033657923 708429588 /nfs/dbraw/zinc/42/95/88/708429588.db2.gz OMAKKHZYOSKSPN-OAHLLOKOSA-N 2 2 332.448 1.681 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001033668475 708457252 /nfs/dbraw/zinc/45/72/52/708457252.db2.gz MPABJMSFFPJTGF-GOEBONIOSA-N 2 2 342.447 1.584 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001033668475 708457254 /nfs/dbraw/zinc/45/72/54/708457254.db2.gz MPABJMSFFPJTGF-GOEBONIOSA-N 2 2 342.447 1.584 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ncccc3C)C2)C1 ZINC001033677807 708486821 /nfs/dbraw/zinc/48/68/21/708486821.db2.gz BYLABAKSZLQWQP-SJLPKXTDSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ncccc3C)C2)C1 ZINC001033677807 708486823 /nfs/dbraw/zinc/48/68/23/708486823.db2.gz BYLABAKSZLQWQP-SJLPKXTDSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncccc3C)C2)C1 ZINC001033677807 708486825 /nfs/dbraw/zinc/48/68/25/708486825.db2.gz BYLABAKSZLQWQP-SJLPKXTDSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncccc3C)C2)C1 ZINC001033677807 708486826 /nfs/dbraw/zinc/48/68/26/708486826.db2.gz BYLABAKSZLQWQP-SJLPKXTDSA-N 2 2 346.475 1.143 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3cnon3)CC2)CC1 ZINC001002007459 708524811 /nfs/dbraw/zinc/52/48/11/708524811.db2.gz XCDODBLURSNWBZ-UHFFFAOYSA-N 2 2 349.479 1.518 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033706454 708537223 /nfs/dbraw/zinc/53/72/23/708537223.db2.gz LYSISPQABBTCDI-GOSISDBHSA-N 2 2 340.427 1.646 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033706454 708537225 /nfs/dbraw/zinc/53/72/25/708537225.db2.gz LYSISPQABBTCDI-GOSISDBHSA-N 2 2 340.427 1.646 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033773501 708672104 /nfs/dbraw/zinc/67/21/04/708672104.db2.gz GTZCLPFRZBSUCQ-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033773501 708672107 /nfs/dbraw/zinc/67/21/07/708672107.db2.gz GTZCLPFRZBSUCQ-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033773501 708672110 /nfs/dbraw/zinc/67/21/10/708672110.db2.gz GTZCLPFRZBSUCQ-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033773501 708672113 /nfs/dbraw/zinc/67/21/13/708672113.db2.gz GTZCLPFRZBSUCQ-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nncn2C)CC1 ZINC001002160648 708674492 /nfs/dbraw/zinc/67/44/92/708674492.db2.gz XXENUINHOZNHCC-MRXNPFEDSA-N 2 2 348.495 1.018 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nncn2C)CC1 ZINC001002160648 708674494 /nfs/dbraw/zinc/67/44/94/708674494.db2.gz XXENUINHOZNHCC-MRXNPFEDSA-N 2 2 348.495 1.018 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001033833856 708860435 /nfs/dbraw/zinc/86/04/35/708860435.db2.gz RNWFYVNWMMOLIC-ZBFHGGJFSA-N 2 2 330.432 1.560 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001033833856 708860439 /nfs/dbraw/zinc/86/04/39/708860439.db2.gz RNWFYVNWMMOLIC-ZBFHGGJFSA-N 2 2 330.432 1.560 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033937939 709118554 /nfs/dbraw/zinc/11/85/54/709118554.db2.gz QUVQKKMDBUYGMA-XYJFISCASA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033937939 709118558 /nfs/dbraw/zinc/11/85/58/709118558.db2.gz QUVQKKMDBUYGMA-XYJFISCASA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001033937939 709118560 /nfs/dbraw/zinc/11/85/60/709118560.db2.gz QUVQKKMDBUYGMA-XYJFISCASA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001033937939 709118564 /nfs/dbraw/zinc/11/85/64/709118564.db2.gz QUVQKKMDBUYGMA-XYJFISCASA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034015803 709231977 /nfs/dbraw/zinc/23/19/77/709231977.db2.gz PFWCGLWBNZJIKG-ZBFHGGJFSA-N 2 2 343.431 1.185 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034015803 709231982 /nfs/dbraw/zinc/23/19/82/709231982.db2.gz PFWCGLWBNZJIKG-ZBFHGGJFSA-N 2 2 343.431 1.185 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](CCO)C1 ZINC001034003349 709241663 /nfs/dbraw/zinc/24/16/63/709241663.db2.gz AMEPJWWWIJNATG-QGZVFWFLSA-N 2 2 328.416 1.401 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001034003349 709241665 /nfs/dbraw/zinc/24/16/65/709241665.db2.gz AMEPJWWWIJNATG-QGZVFWFLSA-N 2 2 328.416 1.401 20 0 EDADLP Cc1nnsc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034131094 709400584 /nfs/dbraw/zinc/40/05/84/709400584.db2.gz LIMMKOCVYVGMEN-KBPBESRZSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034131094 709400585 /nfs/dbraw/zinc/40/05/85/709400585.db2.gz LIMMKOCVYVGMEN-KBPBESRZSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034131094 709400586 /nfs/dbraw/zinc/40/05/86/709400586.db2.gz LIMMKOCVYVGMEN-KBPBESRZSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034131094 709400587 /nfs/dbraw/zinc/40/05/87/709400587.db2.gz LIMMKOCVYVGMEN-KBPBESRZSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034131096 709401169 /nfs/dbraw/zinc/40/11/69/709401169.db2.gz LIMMKOCVYVGMEN-UONOGXRCSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034131096 709401172 /nfs/dbraw/zinc/40/11/72/709401172.db2.gz LIMMKOCVYVGMEN-UONOGXRCSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034131096 709401174 /nfs/dbraw/zinc/40/11/74/709401174.db2.gz LIMMKOCVYVGMEN-UONOGXRCSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034131096 709401177 /nfs/dbraw/zinc/40/11/77/709401177.db2.gz LIMMKOCVYVGMEN-UONOGXRCSA-N 2 2 337.493 1.411 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001002803235 709405870 /nfs/dbraw/zinc/40/58/70/709405870.db2.gz SGHPWIAAVLGBNL-WBVHZDCISA-N 2 2 343.475 1.432 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001002803235 709405871 /nfs/dbraw/zinc/40/58/71/709405871.db2.gz SGHPWIAAVLGBNL-WBVHZDCISA-N 2 2 343.475 1.432 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002804438 709407140 /nfs/dbraw/zinc/40/71/40/709407140.db2.gz ATWCSNBMOWDKCV-NVXWUHKLSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002804438 709407142 /nfs/dbraw/zinc/40/71/42/709407142.db2.gz ATWCSNBMOWDKCV-NVXWUHKLSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148218 709419052 /nfs/dbraw/zinc/41/90/52/709419052.db2.gz GSZYEYVHDZLOTB-MSOLQXFVSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148218 709419053 /nfs/dbraw/zinc/41/90/53/709419053.db2.gz GSZYEYVHDZLOTB-MSOLQXFVSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148218 709419056 /nfs/dbraw/zinc/41/90/56/709419056.db2.gz GSZYEYVHDZLOTB-MSOLQXFVSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148218 709419058 /nfs/dbraw/zinc/41/90/58/709419058.db2.gz GSZYEYVHDZLOTB-MSOLQXFVSA-N 2 2 346.475 1.191 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](Cc2ncccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034206709 709553112 /nfs/dbraw/zinc/55/31/12/709553112.db2.gz DVPBWSKULSRALY-SJORKVTESA-N 2 2 343.475 1.289 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](Cc2ncccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034206709 709553116 /nfs/dbraw/zinc/55/31/16/709553116.db2.gz DVPBWSKULSRALY-SJORKVTESA-N 2 2 343.475 1.289 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)no1 ZINC001034207421 709555348 /nfs/dbraw/zinc/55/53/48/709555348.db2.gz LHQOYBJTXBCMDO-FUHWJXTLSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)no1 ZINC001034207421 709555349 /nfs/dbraw/zinc/55/53/49/709555349.db2.gz LHQOYBJTXBCMDO-FUHWJXTLSA-N 2 2 346.475 1.796 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](CCn2cccn2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252812 709653053 /nfs/dbraw/zinc/65/30/53/709653053.db2.gz ZRHQNTDRMXQTHT-BZUAXINKSA-N 2 2 342.447 1.381 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](CCn2cccn2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252812 709653057 /nfs/dbraw/zinc/65/30/57/709653057.db2.gz ZRHQNTDRMXQTHT-BZUAXINKSA-N 2 2 342.447 1.381 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3cnns3)C2)CC1 ZINC001034378514 709899682 /nfs/dbraw/zinc/89/96/82/709899682.db2.gz UMCBZSPCFIZFIJ-AWEZNQCLSA-N 2 2 337.493 1.351 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3cnns3)C2)CC1 ZINC001034378514 709899685 /nfs/dbraw/zinc/89/96/85/709899685.db2.gz UMCBZSPCFIZFIJ-AWEZNQCLSA-N 2 2 337.493 1.351 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001034378443 709900229 /nfs/dbraw/zinc/90/02/29/709900229.db2.gz SMWWYOFYRNYENZ-CZUORRHYSA-N 2 2 348.495 1.487 20 0 EDADLP Cc1nnc([C@@H](C)[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001034378443 709900232 /nfs/dbraw/zinc/90/02/32/709900232.db2.gz SMWWYOFYRNYENZ-CZUORRHYSA-N 2 2 348.495 1.487 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3nccs3)C2)CC1 ZINC001034385025 709913182 /nfs/dbraw/zinc/91/31/82/709913182.db2.gz IGRMHBOXIUCWCV-HNNXBMFYSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3nccs3)C2)CC1 ZINC001034385025 709913184 /nfs/dbraw/zinc/91/31/84/709913184.db2.gz IGRMHBOXIUCWCV-HNNXBMFYSA-N 2 2 336.505 1.956 20 0 EDADLP Cn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034394939 709931707 /nfs/dbraw/zinc/93/17/07/709931707.db2.gz SGDCPVYKGPBWQD-OAHLLOKOSA-N 2 2 348.495 1.018 20 0 EDADLP Cn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034394939 709931709 /nfs/dbraw/zinc/93/17/09/709931709.db2.gz SGDCPVYKGPBWQD-OAHLLOKOSA-N 2 2 348.495 1.018 20 0 EDADLP Cn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034394939 709931714 /nfs/dbraw/zinc/93/17/14/709931714.db2.gz SGDCPVYKGPBWQD-OAHLLOKOSA-N 2 2 348.495 1.018 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCCO2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001003190700 710108453 /nfs/dbraw/zinc/10/84/53/710108453.db2.gz RSGITSQBBCQSGG-DOTOQJQBSA-N 2 2 346.475 1.595 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001034484782 710129810 /nfs/dbraw/zinc/12/98/10/710129810.db2.gz NXZXFWZAYSLWTP-SJLPKXTDSA-N 2 2 348.491 1.893 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001034484782 710129812 /nfs/dbraw/zinc/12/98/12/710129812.db2.gz NXZXFWZAYSLWTP-SJLPKXTDSA-N 2 2 348.491 1.893 20 0 EDADLP Cc1oncc1C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003195500 710130843 /nfs/dbraw/zinc/13/08/43/710130843.db2.gz XYQMQRREIUWBBE-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487561 710135230 /nfs/dbraw/zinc/13/52/30/710135230.db2.gz OPBOMOAPVHSJBZ-MRXNPFEDSA-N 2 2 345.491 1.470 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487561 710135232 /nfs/dbraw/zinc/13/52/32/710135232.db2.gz OPBOMOAPVHSJBZ-MRXNPFEDSA-N 2 2 345.491 1.470 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cnn(C)c2)C1 ZINC001034501944 710142500 /nfs/dbraw/zinc/14/25/00/710142500.db2.gz BMVNQUOWCAYRAQ-HNNXBMFYSA-N 2 2 330.436 1.165 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](Cc2cnn(C)c2)C1 ZINC001034501944 710142503 /nfs/dbraw/zinc/14/25/03/710142503.db2.gz BMVNQUOWCAYRAQ-HNNXBMFYSA-N 2 2 330.436 1.165 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001003309923 710238929 /nfs/dbraw/zinc/23/89/29/710238929.db2.gz HRPINNFZIPDARY-UHFFFAOYSA-N 2 2 340.387 1.420 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC001003423211 710338598 /nfs/dbraw/zinc/33/85/98/710338598.db2.gz AZWLLYKDMFZDMG-ZDUSSCGKSA-N 2 2 349.479 1.894 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)s1 ZINC001003544270 710412430 /nfs/dbraw/zinc/41/24/30/710412430.db2.gz NRJBXFKUKUBVTP-UHFFFAOYSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)[nH]1 ZINC001003742748 710525270 /nfs/dbraw/zinc/52/52/70/710525270.db2.gz ZTTRODSFHFEWFP-ZDUSSCGKSA-N 2 2 348.495 1.487 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001003775957 710544805 /nfs/dbraw/zinc/54/48/05/710544805.db2.gz CZCGZILYSOUWRJ-SJORKVTESA-N 2 2 343.475 1.574 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001003775957 710544807 /nfs/dbraw/zinc/54/48/07/710544807.db2.gz CZCGZILYSOUWRJ-SJORKVTESA-N 2 2 343.475 1.574 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001005588562 710622250 /nfs/dbraw/zinc/62/22/50/710622250.db2.gz MCJPKKCOSVGQDA-CZUORRHYSA-N 2 2 349.479 1.846 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001005588562 710622252 /nfs/dbraw/zinc/62/22/52/710622252.db2.gz MCJPKKCOSVGQDA-CZUORRHYSA-N 2 2 349.479 1.846 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005591990 710649819 /nfs/dbraw/zinc/64/98/19/710649819.db2.gz KGBUBZNMOLLCKB-MRXNPFEDSA-N 2 2 331.464 1.384 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005591990 710649821 /nfs/dbraw/zinc/64/98/21/710649821.db2.gz KGBUBZNMOLLCKB-MRXNPFEDSA-N 2 2 331.464 1.384 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005605501 710685905 /nfs/dbraw/zinc/68/59/05/710685905.db2.gz JMOZRZLPGXSYKN-CVEARBPZSA-N 2 2 346.475 1.405 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCNC3=O)CC2)c(C)[nH+]1 ZINC001034694319 710768842 /nfs/dbraw/zinc/76/88/42/710768842.db2.gz PLFCJKDNSQDYBU-JYJNAYRXSA-N 2 2 344.459 1.526 20 0 EDADLP COC[C@H](C)[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001003900870 710884781 /nfs/dbraw/zinc/88/47/81/710884781.db2.gz SBKMPZMPYOCBAA-AWEZNQCLSA-N 2 2 343.431 1.496 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001034768788 711028205 /nfs/dbraw/zinc/02/82/05/711028205.db2.gz KQOFHHHVKBYJNK-WKILWMFISA-N 2 2 328.416 1.495 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC001034776955 711055273 /nfs/dbraw/zinc/05/52/73/711055273.db2.gz COZQSAWPSRJROL-SHTZXODSSA-N 2 2 345.447 1.785 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975380 711064969 /nfs/dbraw/zinc/06/49/69/711064969.db2.gz JBTSJNFFGJBHRA-ZWKOTPCHSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001032975380 711064972 /nfs/dbraw/zinc/06/49/72/711064972.db2.gz JBTSJNFFGJBHRA-ZWKOTPCHSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001032975380 711064975 /nfs/dbraw/zinc/06/49/75/711064975.db2.gz JBTSJNFFGJBHRA-ZWKOTPCHSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001032975380 711064978 /nfs/dbraw/zinc/06/49/78/711064978.db2.gz JBTSJNFFGJBHRA-ZWKOTPCHSA-N 2 2 331.460 1.358 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)Cn3c[nH+]cc3C)CC2)on1 ZINC001005714511 711102685 /nfs/dbraw/zinc/10/26/85/711102685.db2.gz SQOXUAQXVSEVOE-UHFFFAOYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1ccncc1C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003972141 711125065 /nfs/dbraw/zinc/12/50/65/711125065.db2.gz VDONAEHQCOAMCX-UHFFFAOYSA-N 2 2 327.432 1.447 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001034801004 711140551 /nfs/dbraw/zinc/14/05/51/711140551.db2.gz CNKHGCBXVDTBOT-MGPQQGTHSA-N 2 2 346.435 1.607 20 0 EDADLP Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001034890361 711346087 /nfs/dbraw/zinc/34/60/87/711346087.db2.gz BLZJWMCOCCOQMJ-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001034890361 711346090 /nfs/dbraw/zinc/34/60/90/711346090.db2.gz BLZJWMCOCCOQMJ-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)cs1 ZINC001034891528 711347616 /nfs/dbraw/zinc/34/76/16/711347616.db2.gz VLJXBJFPYJJBJF-CVEARBPZSA-N 2 2 337.489 1.468 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)cs1 ZINC001034891528 711347622 /nfs/dbraw/zinc/34/76/22/711347622.db2.gz VLJXBJFPYJJBJF-CVEARBPZSA-N 2 2 337.489 1.468 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)co1 ZINC001033143721 711953058 /nfs/dbraw/zinc/95/30/58/711953058.db2.gz KKVQJKWTYUHRJB-FUHWJXTLSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)co1 ZINC001033143721 711953059 /nfs/dbraw/zinc/95/30/59/711953059.db2.gz KKVQJKWTYUHRJB-FUHWJXTLSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)co1 ZINC001033143721 711953060 /nfs/dbraw/zinc/95/30/60/711953060.db2.gz KKVQJKWTYUHRJB-FUHWJXTLSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)co1 ZINC001033143721 711953062 /nfs/dbraw/zinc/95/30/62/711953062.db2.gz KKVQJKWTYUHRJB-FUHWJXTLSA-N 2 2 348.491 1.994 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631392 712017201 /nfs/dbraw/zinc/01/72/01/712017201.db2.gz FRXOQWPUVKJSBT-AALSBFMBSA-N 2 2 332.448 1.064 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631392 712017203 /nfs/dbraw/zinc/01/72/03/712017203.db2.gz FRXOQWPUVKJSBT-AALSBFMBSA-N 2 2 332.448 1.064 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631392 712017205 /nfs/dbraw/zinc/01/72/05/712017205.db2.gz FRXOQWPUVKJSBT-AALSBFMBSA-N 2 2 332.448 1.064 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631392 712017206 /nfs/dbraw/zinc/01/72/06/712017206.db2.gz FRXOQWPUVKJSBT-AALSBFMBSA-N 2 2 332.448 1.064 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001033151118 712117478 /nfs/dbraw/zinc/11/74/78/712117478.db2.gz IIMSTANHVSQLPT-QZTJIDSGSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001033151118 712117481 /nfs/dbraw/zinc/11/74/81/712117481.db2.gz IIMSTANHVSQLPT-QZTJIDSGSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033151118 712117484 /nfs/dbraw/zinc/11/74/84/712117484.db2.gz IIMSTANHVSQLPT-QZTJIDSGSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033151118 712117487 /nfs/dbraw/zinc/11/74/87/712117487.db2.gz IIMSTANHVSQLPT-QZTJIDSGSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000370536397 712330738 /nfs/dbraw/zinc/33/07/38/712330738.db2.gz SFJOAZQTHWQKFA-QZTJIDSGSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000370536397 712330741 /nfs/dbraw/zinc/33/07/41/712330741.db2.gz SFJOAZQTHWQKFA-QZTJIDSGSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000370536397 712330744 /nfs/dbraw/zinc/33/07/44/712330744.db2.gz SFJOAZQTHWQKFA-QZTJIDSGSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000370536397 712330747 /nfs/dbraw/zinc/33/07/47/712330747.db2.gz SFJOAZQTHWQKFA-QZTJIDSGSA-N 2 2 337.508 1.581 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1Br ZINC000050247792 214051736 /nfs/dbraw/zinc/05/17/36/214051736.db2.gz LVXHSWRVRQPDSK-LLVKDONJSA-N 2 2 326.238 1.977 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)ccc1Br ZINC000050247792 214051737 /nfs/dbraw/zinc/05/17/37/214051737.db2.gz LVXHSWRVRQPDSK-LLVKDONJSA-N 2 2 326.238 1.977 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557594742 306230368 /nfs/dbraw/zinc/23/03/68/306230368.db2.gz AKBSZKKIIVKJBH-IEBWSBKVSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557594742 306230369 /nfs/dbraw/zinc/23/03/69/306230369.db2.gz AKBSZKKIIVKJBH-IEBWSBKVSA-N 2 2 344.503 1.261 20 0 EDADLP Cc1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C(C)C)n1 ZINC000365180494 282146797 /nfs/dbraw/zinc/14/67/97/282146797.db2.gz CCGGGWYAGOQKEM-HNNXBMFYSA-N 2 2 345.491 1.807 20 0 EDADLP Cc1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C(C)C)n1 ZINC000365180494 282146799 /nfs/dbraw/zinc/14/67/99/282146799.db2.gz CCGGGWYAGOQKEM-HNNXBMFYSA-N 2 2 345.491 1.807 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000155634323 529417495 /nfs/dbraw/zinc/41/74/95/529417495.db2.gz BHWVOOHVAZKDBP-NJAFHUGGSA-N 2 2 333.476 1.858 20 0 EDADLP CN(C)[C@H](C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1)c1c[nH+]cn1C ZINC000354886751 282233406 /nfs/dbraw/zinc/23/34/06/282233406.db2.gz POZWGKKVQXZBCJ-KRWDZBQOSA-N 2 2 347.507 1.817 20 0 EDADLP CN(C)[C@H](C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)c1c[nH+]cn1C ZINC000354886751 282233409 /nfs/dbraw/zinc/23/34/09/282233409.db2.gz POZWGKKVQXZBCJ-KRWDZBQOSA-N 2 2 347.507 1.817 20 0 EDADLP CN(C)c1ccnc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371972824 282304123 /nfs/dbraw/zinc/30/41/23/282304123.db2.gz HKVSWTPGCSYFGJ-QGZVFWFLSA-N 2 2 345.491 1.388 20 0 EDADLP CN(C)c1ccnc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371972824 282304125 /nfs/dbraw/zinc/30/41/25/282304125.db2.gz HKVSWTPGCSYFGJ-QGZVFWFLSA-N 2 2 345.491 1.388 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000328916365 539377784 /nfs/dbraw/zinc/37/77/84/539377784.db2.gz AKOADGMBCLZVER-BFYDXBDKSA-N 2 2 332.448 1.015 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CC(=O)NCC2CC2)CCC[NH+]1C ZINC000346878195 282354640 /nfs/dbraw/zinc/35/46/40/282354640.db2.gz HCOOXUGAVJIVJU-MAUKXSAKSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CC(=O)NCC2CC2)CCC[NH+]1C ZINC000346878195 282354641 /nfs/dbraw/zinc/35/46/41/282354641.db2.gz HCOOXUGAVJIVJU-MAUKXSAKSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)NCC2CC2)CCC[N@@H+]1C ZINC000346878195 282354642 /nfs/dbraw/zinc/35/46/42/282354642.db2.gz HCOOXUGAVJIVJU-MAUKXSAKSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)NCC2CC2)CCC[N@H+]1C ZINC000346878195 282354643 /nfs/dbraw/zinc/35/46/43/282354643.db2.gz HCOOXUGAVJIVJU-MAUKXSAKSA-N 2 2 333.480 1.261 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134892590 282373527 /nfs/dbraw/zinc/37/35/27/282373527.db2.gz CAQQQQCJTCIZSE-OCCSQVGLSA-N 2 2 333.398 1.956 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134892590 282373528 /nfs/dbraw/zinc/37/35/28/282373528.db2.gz CAQQQQCJTCIZSE-OCCSQVGLSA-N 2 2 333.398 1.956 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134892590 282373529 /nfs/dbraw/zinc/37/35/29/282373529.db2.gz CAQQQQCJTCIZSE-OCCSQVGLSA-N 2 2 333.398 1.956 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134892590 282373531 /nfs/dbraw/zinc/37/35/31/282373531.db2.gz CAQQQQCJTCIZSE-OCCSQVGLSA-N 2 2 333.398 1.956 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000560505718 306272545 /nfs/dbraw/zinc/27/25/45/306272545.db2.gz TVWVRAKFFQFFSA-IBGZPJMESA-N 2 2 342.443 1.308 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000561212058 306284879 /nfs/dbraw/zinc/28/48/79/306284879.db2.gz BGWGLGRVZCAWBV-KRWDZBQOSA-N 2 2 345.491 2.000 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333886275 539657260 /nfs/dbraw/zinc/65/72/60/539657260.db2.gz FWFZVTMGSPJLLB-JKSUJKDBSA-N 2 2 329.448 1.575 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cncnc3)CC2)CC1 ZINC000561478412 306288221 /nfs/dbraw/zinc/28/82/21/306288221.db2.gz OALXRFFEYQNZSY-UHFFFAOYSA-N 2 2 332.452 1.501 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cncnc3)CC2)CC1 ZINC000561478412 306288222 /nfs/dbraw/zinc/28/82/22/306288222.db2.gz OALXRFFEYQNZSY-UHFFFAOYSA-N 2 2 332.452 1.501 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000152533529 539817183 /nfs/dbraw/zinc/81/71/83/539817183.db2.gz SLCVGYASWZETOS-CGTJXYLNSA-N 2 2 346.475 1.404 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000152533529 539817190 /nfs/dbraw/zinc/81/71/90/539817190.db2.gz SLCVGYASWZETOS-CGTJXYLNSA-N 2 2 346.475 1.404 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000152533529 539817195 /nfs/dbraw/zinc/81/71/95/539817195.db2.gz SLCVGYASWZETOS-CGTJXYLNSA-N 2 2 346.475 1.404 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000152533529 539817203 /nfs/dbraw/zinc/81/72/03/539817203.db2.gz SLCVGYASWZETOS-CGTJXYLNSA-N 2 2 346.475 1.404 20 0 EDADLP OCCNc1nc(NCC2CC[NH+](C3CC3)CC2)[nH+]c2ccccc21 ZINC000562471775 306299556 /nfs/dbraw/zinc/29/95/56/306299556.db2.gz SOUBOLYASDDUFD-UHFFFAOYSA-N 2 2 341.459 1.164 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000412692504 304027187 /nfs/dbraw/zinc/02/71/87/304027187.db2.gz DGDLQHBETQUOFG-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000412692504 304027189 /nfs/dbraw/zinc/02/71/89/304027189.db2.gz DGDLQHBETQUOFG-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000412692504 304027191 /nfs/dbraw/zinc/02/71/91/304027191.db2.gz DGDLQHBETQUOFG-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000412692504 304027193 /nfs/dbraw/zinc/02/71/93/304027193.db2.gz DGDLQHBETQUOFG-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000495684934 299197525 /nfs/dbraw/zinc/19/75/25/299197525.db2.gz CHDWZQZJVNAVDJ-FZKCQIBNSA-N 2 2 341.496 1.989 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000495684934 299197528 /nfs/dbraw/zinc/19/75/28/299197528.db2.gz CHDWZQZJVNAVDJ-FZKCQIBNSA-N 2 2 341.496 1.989 20 0 EDADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762891 452101689 /nfs/dbraw/zinc/10/16/89/452101689.db2.gz ANZAYTBSTMZPTK-CRAIPNDOSA-N 2 2 325.497 1.460 20 0 EDADLP CCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167070915 540078807 /nfs/dbraw/zinc/07/88/07/540078807.db2.gz CBMUZFJQYRGXFC-JKSUJKDBSA-N 2 2 331.526 1.605 20 0 EDADLP CCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167070915 540078810 /nfs/dbraw/zinc/07/88/10/540078810.db2.gz CBMUZFJQYRGXFC-JKSUJKDBSA-N 2 2 331.526 1.605 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000264300690 299232320 /nfs/dbraw/zinc/23/23/20/299232320.db2.gz RPUXAKKPURDOCD-JENIJYKNSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000264300690 299232323 /nfs/dbraw/zinc/23/23/23/299232323.db2.gz RPUXAKKPURDOCD-JENIJYKNSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000105064851 540190876 /nfs/dbraw/zinc/19/08/76/540190876.db2.gz CNKJMLHNWOEADS-CALCHBBNSA-N 2 2 348.495 1.083 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000105064851 540190880 /nfs/dbraw/zinc/19/08/80/540190880.db2.gz CNKJMLHNWOEADS-CALCHBBNSA-N 2 2 348.495 1.083 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045547300 138113388 /nfs/dbraw/zinc/11/33/88/138113388.db2.gz ABWRRFBLRYJEGZ-UHFFFAOYSA-N 2 2 346.475 1.282 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1)C[NH+]1CCCC1 ZINC000413065536 304055740 /nfs/dbraw/zinc/05/57/40/304055740.db2.gz GQGSJVICKNUZEL-OAGGEKHMSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1)C[NH+]1CCCC1 ZINC000413065536 304055741 /nfs/dbraw/zinc/05/57/41/304055741.db2.gz GQGSJVICKNUZEL-OAGGEKHMSA-N 2 2 333.480 1.828 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000072861529 138211166 /nfs/dbraw/zinc/21/11/66/138211166.db2.gz RNOPVZNCVLXEGY-JKSUJKDBSA-N 2 2 348.516 1.946 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000072861529 138211167 /nfs/dbraw/zinc/21/11/67/138211167.db2.gz RNOPVZNCVLXEGY-JKSUJKDBSA-N 2 2 348.516 1.946 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000077930873 138255918 /nfs/dbraw/zinc/25/59/18/138255918.db2.gz FGPCRWROELDYNN-GOSISDBHSA-N 2 2 346.475 1.455 20 0 EDADLP Cc1n[nH]c(C)c1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000102942522 138298846 /nfs/dbraw/zinc/29/88/46/138298846.db2.gz LHWBNDNJCHMPAF-UHFFFAOYSA-N 2 2 333.480 1.244 20 0 EDADLP CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000093050473 138291563 /nfs/dbraw/zinc/29/15/63/138291563.db2.gz HKHFRCATSQVPPT-QGZVFWFLSA-N 2 2 330.476 1.539 20 0 EDADLP CC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000093050473 138291564 /nfs/dbraw/zinc/29/15/64/138291564.db2.gz HKHFRCATSQVPPT-QGZVFWFLSA-N 2 2 330.476 1.539 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3cc(C(N)=O)cs3)CC2)cc[nH+]1 ZINC000093562873 138293755 /nfs/dbraw/zinc/29/37/55/138293755.db2.gz OAXOBEKVKNHKAK-UHFFFAOYSA-N 2 2 346.460 1.025 20 0 EDADLP c1ncn(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2)n1 ZINC000093665204 138294444 /nfs/dbraw/zinc/29/44/44/138294444.db2.gz UJFACHNTIHQJDB-QGZVFWFLSA-N 2 2 327.432 1.421 20 0 EDADLP c1ncn(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2)n1 ZINC000093665204 138294445 /nfs/dbraw/zinc/29/44/45/138294445.db2.gz UJFACHNTIHQJDB-QGZVFWFLSA-N 2 2 327.432 1.421 20 0 EDADLP CC(C)c1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC000119529120 138314361 /nfs/dbraw/zinc/31/43/61/138314361.db2.gz GSLXDMVQZHMBOO-XYPWUTKMSA-N 2 2 333.480 1.936 20 0 EDADLP CC(C)c1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)no1 ZINC000119529120 138314362 /nfs/dbraw/zinc/31/43/62/138314362.db2.gz GSLXDMVQZHMBOO-XYPWUTKMSA-N 2 2 333.480 1.936 20 0 EDADLP COc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000121112483 138317200 /nfs/dbraw/zinc/31/72/00/138317200.db2.gz RUYSSXNDYNQKEX-WBVHZDCISA-N 2 2 331.460 1.647 20 0 EDADLP COc1ccc([C@H]2C[C@@H](C)[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000121112483 138317201 /nfs/dbraw/zinc/31/72/01/138317201.db2.gz RUYSSXNDYNQKEX-WBVHZDCISA-N 2 2 331.460 1.647 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(C)(C)C[NH+](C)C ZINC000122970092 138318457 /nfs/dbraw/zinc/31/84/57/138318457.db2.gz OFIRCPQVQPZXOC-GJZGRUSLSA-N 2 2 333.480 1.936 20 0 EDADLP CCOc1ncccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000124385329 138326262 /nfs/dbraw/zinc/32/62/62/138326262.db2.gz XPFGGVJCNILMMB-UHFFFAOYSA-N 2 2 346.475 1.769 20 0 EDADLP CCN(C1CC[NH+](CCC[NH+]2CCCCC2)CC1)S(C)(=O)=O ZINC000125153720 138332468 /nfs/dbraw/zinc/33/24/68/138332468.db2.gz BJKBBFCZNNZPIN-UHFFFAOYSA-N 2 2 331.526 1.608 20 0 EDADLP NC(=O)C1CC[NH+](CCc2ccc(NCc3[nH]cc[nH+]3)cc2)CC1 ZINC000126529294 138338223 /nfs/dbraw/zinc/33/82/23/138338223.db2.gz MMPYIOATRDSFOA-UHFFFAOYSA-N 2 2 327.432 1.762 20 0 EDADLP O=S(=O)(NC1CC[NH+](CCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000131784687 138365695 /nfs/dbraw/zinc/36/56/95/138365695.db2.gz HWSXIRMWZICISK-UHFFFAOYSA-N 2 2 334.445 1.326 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CCOCC1 ZINC000133737165 138397677 /nfs/dbraw/zinc/39/76/77/138397677.db2.gz REHHOBOLGGMJSD-INIZCTEOSA-N 2 2 333.480 1.393 20 0 EDADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000378118483 283253300 /nfs/dbraw/zinc/25/33/00/283253300.db2.gz PLKQBGCOWUBMND-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000378118483 283253303 /nfs/dbraw/zinc/25/33/03/283253303.db2.gz PLKQBGCOWUBMND-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@@H]1O ZINC000186813076 236029721 /nfs/dbraw/zinc/02/97/21/236029721.db2.gz FFHUBYTVOJEUIZ-YJBOKZPZSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@@H]1O ZINC000186813076 236029723 /nfs/dbraw/zinc/02/97/23/236029723.db2.gz FFHUBYTVOJEUIZ-YJBOKZPZSA-N 2 2 347.459 1.160 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)CC(F)(F)C[NH3+])c1ccc(F)cc1 ZINC000563818856 306348573 /nfs/dbraw/zinc/34/85/73/306348573.db2.gz DAIUWIWHYLMLQI-ZDUSSCGKSA-N 2 2 326.322 1.749 20 0 EDADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000563854477 306349890 /nfs/dbraw/zinc/34/98/90/306349890.db2.gz LCXRKAQFBYCZHV-ARFHVFGLSA-N 2 2 332.448 1.205 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)Cc1cn3c([nH+]1)CCCC3)CC2 ZINC000563963960 306353612 /nfs/dbraw/zinc/35/36/12/306353612.db2.gz GCAJIUCTGXUTMK-CQSZACIVSA-N 2 2 327.432 1.945 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000564799389 306365361 /nfs/dbraw/zinc/36/53/61/306365361.db2.gz WVSXGNWPBJXFOT-HZPDHXFCSA-N 2 2 341.455 1.668 20 0 EDADLP C[NH+]1CCN(Cc2cccc(C(=O)NCCn3cc[nH+]c3)c2)CC1 ZINC000072908880 216327581 /nfs/dbraw/zinc/32/75/81/216327581.db2.gz FINYNWQLCOXESQ-UHFFFAOYSA-N 2 2 327.432 1.061 20 0 EDADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1=O ZINC000072971700 216335163 /nfs/dbraw/zinc/33/51/63/216335163.db2.gz VZKZITJBLCUXQY-AWEZNQCLSA-N 2 2 341.415 1.221 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)n1C ZINC000414363749 304111828 /nfs/dbraw/zinc/11/18/28/304111828.db2.gz WUHBCRZVZIKXET-NSHDSACASA-N 2 2 333.358 1.129 20 0 EDADLP C[NH+](C)C[C@](C)(O)CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000132995794 223380062 /nfs/dbraw/zinc/38/00/62/223380062.db2.gz HCJYKDMYIMHGMB-QGZVFWFLSA-N 2 2 326.404 1.540 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(CC[NH3+])CCO)n2)C1 ZINC000414747659 304136696 /nfs/dbraw/zinc/13/66/96/304136696.db2.gz HLVUQWNDVNPJFM-GFCCVEGCSA-N 2 2 341.481 1.160 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CC[NH3+])CCO)n2)C1 ZINC000414747659 304136697 /nfs/dbraw/zinc/13/66/97/304136697.db2.gz HLVUQWNDVNPJFM-GFCCVEGCSA-N 2 2 341.481 1.160 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000566786935 306428610 /nfs/dbraw/zinc/42/86/10/306428610.db2.gz HJNGDFSRNJLTSK-YKDOHLLJSA-N 2 2 336.480 1.009 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000365157814 296139120 /nfs/dbraw/zinc/13/91/20/296139120.db2.gz TYVKCMKQLPFWOV-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000365157814 296139122 /nfs/dbraw/zinc/13/91/22/296139122.db2.gz TYVKCMKQLPFWOV-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000566917156 306433052 /nfs/dbraw/zinc/43/30/52/306433052.db2.gz KWIIGKZTKXIRRZ-AWEZNQCLSA-N 2 2 341.415 1.198 20 0 EDADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000567102809 306437739 /nfs/dbraw/zinc/43/77/39/306437739.db2.gz MLHIIBLFPSUMSX-SZMVWBNQSA-N 2 2 331.460 1.187 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)CCC2 ZINC000567222624 306442605 /nfs/dbraw/zinc/44/26/05/306442605.db2.gz PHOSINNMMGDLRA-NWDGAFQWSA-N 2 2 327.379 1.365 20 0 EDADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194972054 139003602 /nfs/dbraw/zinc/00/36/02/139003602.db2.gz FDMLBSUTSHOMLU-AWEZNQCLSA-N 2 2 325.478 1.683 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515840 139018813 /nfs/dbraw/zinc/01/88/13/139018813.db2.gz DUCMESCGBLNTOT-ZIAGYGMSSA-N 2 2 347.463 1.828 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515840 139018814 /nfs/dbraw/zinc/01/88/14/139018814.db2.gz DUCMESCGBLNTOT-ZIAGYGMSSA-N 2 2 347.463 1.828 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000195519210 139019507 /nfs/dbraw/zinc/01/95/07/139019507.db2.gz ICLWNNDLJVSHSX-UHFFFAOYSA-N 2 2 329.395 1.168 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000236901141 139034552 /nfs/dbraw/zinc/03/45/52/139034552.db2.gz ZGBWHNPDTHXZLR-KDOFPFPSSA-N 2 2 349.475 1.721 20 0 EDADLP CN(Cc1ccncc1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237181877 139043198 /nfs/dbraw/zinc/04/31/98/139043198.db2.gz WKQSMPKEMZNMBM-IBGZPJMESA-N 2 2 349.438 1.855 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@@H](C)O1 ZINC000237394363 139050030 /nfs/dbraw/zinc/05/00/30/139050030.db2.gz QLEMUQDNROMUTH-RKVPGOIHSA-N 2 2 345.487 1.705 20 0 EDADLP C[C@]1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000237568159 139054363 /nfs/dbraw/zinc/05/43/63/139054363.db2.gz IKTVACGDUZJOAY-IBGZPJMESA-N 2 2 331.460 1.525 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)c1 ZINC000237627619 139056302 /nfs/dbraw/zinc/05/63/02/139056302.db2.gz UVFFRIFLRNJEIB-GOSISDBHSA-N 2 2 331.460 1.408 20 0 EDADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245706131 139083726 /nfs/dbraw/zinc/08/37/26/139083726.db2.gz DGSAGYJNBLSEIH-WBVHZDCISA-N 2 2 344.459 1.615 20 0 EDADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245706131 139083727 /nfs/dbraw/zinc/08/37/27/139083727.db2.gz DGSAGYJNBLSEIH-WBVHZDCISA-N 2 2 344.459 1.615 20 0 EDADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246569136 139113221 /nfs/dbraw/zinc/11/32/21/139113221.db2.gz DTMCUBLHLMFPIW-SQNIBIBYSA-N 2 2 337.508 1.678 20 0 EDADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000415317996 304193468 /nfs/dbraw/zinc/19/34/68/304193468.db2.gz MJVZROKOHISQBL-UHFFFAOYSA-N 2 2 340.383 1.634 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000247051497 139133296 /nfs/dbraw/zinc/13/32/96/139133296.db2.gz OWUJPIVUCLLZEE-GXTWGEPZSA-N 2 2 344.381 1.560 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000247051497 139133297 /nfs/dbraw/zinc/13/32/97/139133297.db2.gz OWUJPIVUCLLZEE-GXTWGEPZSA-N 2 2 344.381 1.560 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)[N@H+](C)C1 ZINC000346697931 250044708 /nfs/dbraw/zinc/04/47/08/250044708.db2.gz IDQWYESWLPONIK-LSDHHAIUSA-N 2 2 329.404 1.058 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)[N@@H+](C)C1 ZINC000346697931 250044711 /nfs/dbraw/zinc/04/47/11/250044711.db2.gz IDQWYESWLPONIK-LSDHHAIUSA-N 2 2 329.404 1.058 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc[nH+]1 ZINC000249042505 139183792 /nfs/dbraw/zinc/18/37/92/139183792.db2.gz VFZHWTJJBKZBCN-UYTSQGDYSA-N 3 2 330.480 1.702 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc[nH+]1 ZINC000249042505 139183793 /nfs/dbraw/zinc/18/37/93/139183793.db2.gz VFZHWTJJBKZBCN-UYTSQGDYSA-N 3 2 330.480 1.702 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@]34CCOC4=O)c2cc1C ZINC000249550617 139195385 /nfs/dbraw/zinc/19/53/85/139195385.db2.gz HVCMPGYUBVDUBK-HNAYVOBHSA-N 2 2 343.427 1.796 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@]34CCOC4=O)c2cc1C ZINC000249550617 139195386 /nfs/dbraw/zinc/19/53/86/139195386.db2.gz HVCMPGYUBVDUBK-HNAYVOBHSA-N 2 2 343.427 1.796 20 0 EDADLP CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000249867884 139199354 /nfs/dbraw/zinc/19/93/54/139199354.db2.gz IPKJDTXESIVMDF-HZPDHXFCSA-N 2 2 348.495 1.030 20 0 EDADLP CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000249867884 139199355 /nfs/dbraw/zinc/19/93/55/139199355.db2.gz IPKJDTXESIVMDF-HZPDHXFCSA-N 2 2 348.495 1.030 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261624540 139212228 /nfs/dbraw/zinc/21/22/28/139212228.db2.gz DRAMKZFCECGPJY-BEFAXECRSA-N 2 2 346.475 1.417 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261624540 139212229 /nfs/dbraw/zinc/21/22/29/139212229.db2.gz DRAMKZFCECGPJY-BEFAXECRSA-N 2 2 346.475 1.417 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000261743109 139222399 /nfs/dbraw/zinc/22/23/99/139222399.db2.gz SZYHNFURNHKGBV-UHFFFAOYSA-N 2 2 332.448 1.314 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000261769492 139224539 /nfs/dbraw/zinc/22/45/39/139224539.db2.gz SAVHSIJQFYUYED-LJQANCHMSA-N 3 2 330.476 1.002 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000261769492 139224540 /nfs/dbraw/zinc/22/45/40/139224540.db2.gz SAVHSIJQFYUYED-LJQANCHMSA-N 3 2 330.476 1.002 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000261776862 139225025 /nfs/dbraw/zinc/22/50/25/139225025.db2.gz NMWNZXBJLJTFSI-AWEZNQCLSA-N 2 2 328.416 1.721 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C1([NH3+])CCOCC1 ZINC000261878573 139233589 /nfs/dbraw/zinc/23/35/89/139233589.db2.gz OYDQVDUTVAMEBB-UHFFFAOYSA-N 2 2 328.416 1.398 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CCOCC1 ZINC000261955433 139239795 /nfs/dbraw/zinc/23/97/95/139239795.db2.gz ZQHHCOMOMWNMGO-UHFFFAOYSA-N 2 2 337.851 1.492 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)Cn1cccn1)[C@H]1CC12CC[NH2+]CC2 ZINC000262006500 139243297 /nfs/dbraw/zinc/24/32/97/139243297.db2.gz RRXFFDTZJIKPFZ-HNNXBMFYSA-N 2 2 342.447 1.270 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCc3ccn(C)n3)c2cc1C ZINC000569214802 306499894 /nfs/dbraw/zinc/49/98/94/306499894.db2.gz TZXQCKWHTZJXBH-INIZCTEOSA-N 2 2 327.432 1.580 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416992077 251120998 /nfs/dbraw/zinc/12/09/98/251120998.db2.gz QQHNWEVUBJVTBK-MELADBBJSA-N 2 2 335.452 1.102 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccsc1 ZINC000417021133 251136420 /nfs/dbraw/zinc/13/64/20/251136420.db2.gz SWQMDHPGCZFJBO-DZGCQCFKSA-N 2 2 328.457 1.694 20 0 EDADLP CN(C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)C1CC[NH2+]CC1 ZINC000417664930 251219554 /nfs/dbraw/zinc/21/95/54/251219554.db2.gz XWJRXKXHIDYWID-OAHLLOKOSA-N 2 2 340.418 1.961 20 0 EDADLP [NH3+][C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1c(F)cccc1F ZINC000417804644 251276487 /nfs/dbraw/zinc/27/64/87/251276487.db2.gz CQRZRKSFCCZSKM-MRXNPFEDSA-N 2 2 334.370 1.656 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418305138 251357645 /nfs/dbraw/zinc/35/76/45/251357645.db2.gz XJWLGPFZYWYNFH-UHFFFAOYSA-N 2 2 346.475 1.665 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000418382604 251364329 /nfs/dbraw/zinc/36/43/29/251364329.db2.gz YQJQWRPQAMJOQG-MRXNPFEDSA-N 2 2 336.867 1.919 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[N@@H+](C2CCC2)C1 ZINC000418716099 251395515 /nfs/dbraw/zinc/39/55/15/251395515.db2.gz BXKIZAUYJPRJNB-ZIAGYGMSSA-N 2 2 344.450 1.747 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[N@H+](C2CCC2)C1 ZINC000418716099 251395518 /nfs/dbraw/zinc/39/55/18/251395518.db2.gz BXKIZAUYJPRJNB-ZIAGYGMSSA-N 2 2 344.450 1.747 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000418726054 251399190 /nfs/dbraw/zinc/39/91/90/251399190.db2.gz LKBGFIWWDLEQKZ-GOEBONIOSA-N 2 2 334.464 1.821 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000418626286 251381027 /nfs/dbraw/zinc/38/10/27/251381027.db2.gz LABUKNQNDNBDAM-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422868913 252006721 /nfs/dbraw/zinc/00/67/21/252006721.db2.gz VURBOIHGJZPZGS-RDBSUJKOSA-N 2 2 325.403 1.900 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000422899554 252016568 /nfs/dbraw/zinc/01/65/68/252016568.db2.gz HPXBYZWBUVGUAL-FHLIZLRMSA-N 2 2 347.459 1.661 20 0 EDADLP c1ncn(Cc2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)n1 ZINC000422816383 251986120 /nfs/dbraw/zinc/98/61/20/251986120.db2.gz ZUWMWVKHUKFUSY-ROUUACIJSA-N 2 2 327.432 1.183 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423153326 252040071 /nfs/dbraw/zinc/04/00/71/252040071.db2.gz NDKFSYMLDHOIHX-HZPDHXFCSA-N 2 2 325.478 1.687 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000422992242 252022983 /nfs/dbraw/zinc/02/29/83/252022983.db2.gz QWNGHSNOGOUBIM-UGFHNGPFSA-N 2 2 343.265 1.839 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000423848820 252090054 /nfs/dbraw/zinc/09/00/54/252090054.db2.gz RKEQWDRPEWXFTP-KSSFIOAISA-N 2 2 346.475 1.663 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000423899211 252103093 /nfs/dbraw/zinc/10/30/93/252103093.db2.gz QLIGWHCJRUXESC-HUUCEWRRSA-N 2 2 326.444 1.994 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)cc1 ZINC000424004279 252111855 /nfs/dbraw/zinc/11/18/55/252111855.db2.gz VFDCTGKZWALEPA-FUHWJXTLSA-N 2 2 339.443 1.518 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)cc1 ZINC000424004279 252111858 /nfs/dbraw/zinc/11/18/58/252111858.db2.gz VFDCTGKZWALEPA-FUHWJXTLSA-N 2 2 339.443 1.518 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424190226 252157691 /nfs/dbraw/zinc/15/76/91/252157691.db2.gz MCHCLWNKRJUBMV-KRWDZBQOSA-N 2 2 325.497 1.855 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424127424 252134171 /nfs/dbraw/zinc/13/41/71/252134171.db2.gz DBGGYWHFJHABOB-CYBMUJFWSA-N 2 2 338.415 1.497 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c2C1 ZINC000415607336 304238055 /nfs/dbraw/zinc/23/80/55/304238055.db2.gz JYXCRFBRBVSOML-UHFFFAOYSA-N 2 2 340.374 1.061 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c2C1 ZINC000415607336 304238056 /nfs/dbraw/zinc/23/80/56/304238056.db2.gz JYXCRFBRBVSOML-UHFFFAOYSA-N 2 2 340.374 1.061 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)n1cccn1 ZINC000424748217 252272363 /nfs/dbraw/zinc/27/23/63/252272363.db2.gz HPNPJNPMZATMPG-XNHLSEOASA-N 2 2 345.491 1.604 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)n1cccn1 ZINC000424748217 252272366 /nfs/dbraw/zinc/27/23/66/252272366.db2.gz HPNPJNPMZATMPG-XNHLSEOASA-N 2 2 345.491 1.604 20 0 EDADLP O=C1[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1ccc(Cl)cc1 ZINC000352519000 284996685 /nfs/dbraw/zinc/99/66/85/284996685.db2.gz KYJHMDKIXORXMT-DLBZAZTESA-N 2 2 348.878 1.425 20 0 EDADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000263183056 139327062 /nfs/dbraw/zinc/32/70/62/139327062.db2.gz GYBFXRHUFBHJPV-RHSMWYFYSA-N 2 2 335.452 1.061 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000154589748 533085734 /nfs/dbraw/zinc/08/57/34/533085734.db2.gz RVUCDEWGGSCHDN-UHFFFAOYSA-N 2 2 348.447 1.609 20 0 EDADLP CO[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C12CCC2 ZINC000459800244 255003206 /nfs/dbraw/zinc/00/32/06/255003206.db2.gz ZKJMHHQXXDTBRG-MSOLQXFVSA-N 2 2 337.508 1.330 20 0 EDADLP CO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C12CCC2 ZINC000459800244 255003208 /nfs/dbraw/zinc/00/32/08/255003208.db2.gz ZKJMHHQXXDTBRG-MSOLQXFVSA-N 2 2 337.508 1.330 20 0 EDADLP C[C@H](C[NH2+]Cc1c(Br)cnn1C)C[NH+]1CCOCC1 ZINC000487281253 255028655 /nfs/dbraw/zinc/02/86/55/255028655.db2.gz YIWYJHDUJOSKMM-LLVKDONJSA-N 2 2 331.258 1.241 20 0 EDADLP C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000488715935 255050289 /nfs/dbraw/zinc/05/02/89/255050289.db2.gz IPGXDJQNTPQZFH-FUHWJXTLSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000488715935 255050290 /nfs/dbraw/zinc/05/02/90/255050290.db2.gz IPGXDJQNTPQZFH-FUHWJXTLSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[N@@H+](C2CCC2)C1 ZINC000488752068 255052651 /nfs/dbraw/zinc/05/26/51/255052651.db2.gz XEEBEITWVNUKST-HNNXBMFYSA-N 2 2 331.464 1.624 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[N@H+](C2CCC2)C1 ZINC000488752068 255052653 /nfs/dbraw/zinc/05/26/53/255052653.db2.gz XEEBEITWVNUKST-HNNXBMFYSA-N 2 2 331.464 1.624 20 0 EDADLP C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488766328 255053880 /nfs/dbraw/zinc/05/38/80/255053880.db2.gz NSMPPCMECBRKMC-DOTOQJQBSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488766328 255053882 /nfs/dbraw/zinc/05/38/82/255053882.db2.gz NSMPPCMECBRKMC-DOTOQJQBSA-N 2 2 347.459 1.160 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000492011635 255159094 /nfs/dbraw/zinc/15/90/94/255159094.db2.gz YUEWDYQDSYBLTI-SNAWJCMRSA-N 2 2 341.415 1.669 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000492296478 255168565 /nfs/dbraw/zinc/16/85/65/255168565.db2.gz ORWXLTIZSOCCTE-SREVYHEPSA-N 2 2 334.464 1.876 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493893765 255225093 /nfs/dbraw/zinc/22/50/93/255225093.db2.gz IYMGUUYYTVBSAN-VSZNYVQBSA-N 2 2 349.519 1.866 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000493893765 255225094 /nfs/dbraw/zinc/22/50/94/255225094.db2.gz IYMGUUYYTVBSAN-VSZNYVQBSA-N 2 2 349.519 1.866 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000495190886 255272057 /nfs/dbraw/zinc/27/20/57/255272057.db2.gz LIOPZDQGBBUIEM-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000495190886 255272058 /nfs/dbraw/zinc/27/20/58/255272058.db2.gz LIOPZDQGBBUIEM-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000495190886 255272059 /nfs/dbraw/zinc/27/20/59/255272059.db2.gz LIOPZDQGBBUIEM-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000495190886 255272060 /nfs/dbraw/zinc/27/20/60/255272060.db2.gz LIOPZDQGBBUIEM-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCC(C)CC2)CCO1 ZINC000494200220 255241801 /nfs/dbraw/zinc/24/18/01/255241801.db2.gz CASQPYKAVITLGL-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCC(C)CC2)CCO1 ZINC000494200220 255241802 /nfs/dbraw/zinc/24/18/02/255241802.db2.gz CASQPYKAVITLGL-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@@H]3C)CC2)c1 ZINC000494234066 255242897 /nfs/dbraw/zinc/24/28/97/255242897.db2.gz MYAUJKHIEBNGEP-XLIONFOSSA-N 2 2 345.487 1.796 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494888321 255264468 /nfs/dbraw/zinc/26/44/68/255264468.db2.gz HLNZLSFTKBBJMN-ZWKOTPCHSA-N 2 2 329.444 1.343 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495108300 255269209 /nfs/dbraw/zinc/26/92/09/255269209.db2.gz YZLLHUAHXACALZ-LSDHHAIUSA-N 2 2 338.452 1.887 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415794314 304272372 /nfs/dbraw/zinc/27/23/72/304272372.db2.gz VRYJBNZROQAOLL-QMMMGPOBSA-N 2 2 330.230 1.769 20 0 EDADLP CCOC(=O)N(C)C1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000496044031 255346034 /nfs/dbraw/zinc/34/60/34/255346034.db2.gz ATXXGXYDMROUED-UHFFFAOYSA-N 2 2 325.413 1.316 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCN(C(=O)OC)CC2)CC1 ZINC000496333947 255382702 /nfs/dbraw/zinc/38/27/02/255382702.db2.gz ZEWJGPATBOLXJA-UHFFFAOYSA-N 2 2 341.452 1.224 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343340169 285280568 /nfs/dbraw/zinc/28/05/68/285280568.db2.gz MWCXZUBXMKEOHN-IRXDYDNUSA-N 3 2 347.507 1.320 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343340169 285280571 /nfs/dbraw/zinc/28/05/71/285280571.db2.gz MWCXZUBXMKEOHN-IRXDYDNUSA-N 3 2 347.507 1.320 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118785068 221181828 /nfs/dbraw/zinc/18/18/28/221181828.db2.gz OJGPCRWOIFELML-UHFFFAOYSA-N 2 2 345.443 1.899 20 0 EDADLP CC1(C)C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000119326994 221295191 /nfs/dbraw/zinc/29/51/91/221295191.db2.gz HTXXZWIRZPGMRX-QGZVFWFLSA-N 2 2 325.497 1.330 20 0 EDADLP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000119326994 221295193 /nfs/dbraw/zinc/29/51/93/221295193.db2.gz HTXXZWIRZPGMRX-QGZVFWFLSA-N 2 2 325.497 1.330 20 0 EDADLP C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000119632718 221363728 /nfs/dbraw/zinc/36/37/28/221363728.db2.gz YNVNNTCCZMVQQP-OAHLLOKOSA-N 2 2 333.480 1.890 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264185758 139385248 /nfs/dbraw/zinc/38/52/48/139385248.db2.gz PBLGPMJHEVGTIL-FUHWJXTLSA-N 2 2 341.459 1.377 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000264231673 139388868 /nfs/dbraw/zinc/38/88/68/139388868.db2.gz FIIPFFPAXZEWGX-OAHLLOKOSA-N 2 2 340.493 1.324 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000361762538 285389945 /nfs/dbraw/zinc/38/99/45/285389945.db2.gz BSKRKBZNHOSFAO-YVSFHVDLSA-N 2 2 340.512 1.610 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000361762538 285389947 /nfs/dbraw/zinc/38/99/47/285389947.db2.gz BSKRKBZNHOSFAO-YVSFHVDLSA-N 2 2 340.512 1.610 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000571055743 306557140 /nfs/dbraw/zinc/55/71/40/306557140.db2.gz YSAAZJIJGLVSLH-QGZVFWFLSA-N 2 2 344.459 1.877 20 0 EDADLP CCO[C@@H]1C[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000571148988 306558372 /nfs/dbraw/zinc/55/83/72/306558372.db2.gz KWWCMOVYGPMVPG-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP COC1(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CCC(C)CC1 ZINC000571277676 306560730 /nfs/dbraw/zinc/56/07/30/306560730.db2.gz PLPGFABCRORMSH-WHRQZHCMSA-N 2 2 328.497 1.641 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000571313092 306562572 /nfs/dbraw/zinc/56/25/72/306562572.db2.gz SSHZLEHNQTWCRA-HOCLYGCPSA-N 2 2 325.478 1.394 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000270091998 140044352 /nfs/dbraw/zinc/04/43/52/140044352.db2.gz AQIXEANARLCHHQ-INIZCTEOSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC000270091998 140044353 /nfs/dbraw/zinc/04/43/53/140044353.db2.gz AQIXEANARLCHHQ-INIZCTEOSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000270142293 140050548 /nfs/dbraw/zinc/05/05/48/140050548.db2.gz REIWPNNKAYBFTL-QAPCUYQASA-N 2 2 342.443 1.666 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000270142293 140050550 /nfs/dbraw/zinc/05/05/50/140050550.db2.gz REIWPNNKAYBFTL-QAPCUYQASA-N 2 2 342.443 1.666 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@](C)(O)c2ccccc2)CC1 ZINC000270332551 140080787 /nfs/dbraw/zinc/08/07/87/140080787.db2.gz DVHYYYZAZMTZKT-LJQANCHMSA-N 2 2 348.491 1.219 20 0 EDADLP Cn1ccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000270602558 140132403 /nfs/dbraw/zinc/13/24/03/140132403.db2.gz GBQYFOVYIYVYHU-UHFFFAOYSA-N 2 2 326.444 1.703 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c[nH+]1 ZINC000271083316 140233041 /nfs/dbraw/zinc/23/30/41/140233041.db2.gz GNPGICYRYBMAER-OAHLLOKOSA-N 2 2 334.464 1.512 20 0 EDADLP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000271440261 140296132 /nfs/dbraw/zinc/29/61/32/140296132.db2.gz RTRJQHWAZYYWGP-HOJAQTOUSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000271440261 140296134 /nfs/dbraw/zinc/29/61/34/140296134.db2.gz RTRJQHWAZYYWGP-HOJAQTOUSA-N 2 2 329.488 1.913 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)ccc2[nH+]1 ZINC000271612176 140320059 /nfs/dbraw/zinc/32/00/59/140320059.db2.gz HDVHSYSUIHEOKC-IUODEOHRSA-N 2 2 343.431 1.426 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)ccc2[nH+]1 ZINC000271612176 140320061 /nfs/dbraw/zinc/32/00/61/140320061.db2.gz HDVHSYSUIHEOKC-IUODEOHRSA-N 2 2 343.431 1.426 20 0 EDADLP CC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000271672177 140331285 /nfs/dbraw/zinc/33/12/85/140331285.db2.gz NGRFSNFQTUAGOE-KRWDZBQOSA-N 2 2 333.476 1.954 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@](C)(O)c2ccccc2)CC1 ZINC000271822738 140356570 /nfs/dbraw/zinc/35/65/70/140356570.db2.gz PIEJRBIWDUBZNY-IBGZPJMESA-N 2 2 334.460 1.901 20 0 EDADLP Cc1cccc2[nH+]c(CN3C(=O)N[C@]4(CCCC[C@@H]4C[NH3+])C3=O)cn21 ZINC000571998081 306579057 /nfs/dbraw/zinc/57/90/57/306579057.db2.gz OBMVIWWLLUMYOM-ACJLOTCBSA-N 2 2 341.415 1.582 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329781427 140763622 /nfs/dbraw/zinc/76/36/22/140763622.db2.gz NGRGZEOEWWVSPX-OWCLPIDISA-N 2 2 336.480 1.566 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329781427 140763624 /nfs/dbraw/zinc/76/36/24/140763624.db2.gz NGRGZEOEWWVSPX-OWCLPIDISA-N 2 2 336.480 1.566 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331797982 141082227 /nfs/dbraw/zinc/08/22/27/141082227.db2.gz LSTDIYNDOKWBGS-OAHLLOKOSA-N 2 2 345.447 1.374 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000331997341 141108603 /nfs/dbraw/zinc/10/86/03/141108603.db2.gz BMQWMDNAZKQONO-AWEZNQCLSA-N 2 2 330.432 1.260 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCC[C@H]3NS(C)(=O)=O)n2c1 ZINC000332309209 141159993 /nfs/dbraw/zinc/15/99/93/141159993.db2.gz MIUHJGGGYAOIIQ-HUUCEWRRSA-N 2 2 336.461 1.593 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)c1 ZINC000332401882 141176004 /nfs/dbraw/zinc/17/60/04/141176004.db2.gz UGKSEIITLHPRLR-UHFFFAOYSA-N 2 2 325.416 1.813 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000332999150 141248679 /nfs/dbraw/zinc/24/86/79/141248679.db2.gz ANXZEXIHOAURGL-GOEBONIOSA-N 2 2 331.464 1.936 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@@H]1[NH+]1CCOCC1 ZINC000333464765 141321409 /nfs/dbraw/zinc/32/14/09/141321409.db2.gz QKMRGOASXSGQBL-OAGGEKHMSA-N 2 2 347.463 1.123 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C[C@H]21 ZINC000333537189 141333323 /nfs/dbraw/zinc/33/33/23/141333323.db2.gz NFTRFRKDJVDREF-ZJIFWQFVSA-N 2 2 331.464 1.249 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)C[C@H]21 ZINC000333537189 141333324 /nfs/dbraw/zinc/33/33/24/141333324.db2.gz NFTRFRKDJVDREF-ZJIFWQFVSA-N 2 2 331.464 1.249 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@H](C)[N@H+]1C ZINC000333547311 141334701 /nfs/dbraw/zinc/33/47/01/141334701.db2.gz TXLDAIVCBYIQKP-LZWOXQAQSA-N 2 2 349.479 1.622 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000333547311 141334702 /nfs/dbraw/zinc/33/47/02/141334702.db2.gz TXLDAIVCBYIQKP-LZWOXQAQSA-N 2 2 349.479 1.622 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333645790 141349939 /nfs/dbraw/zinc/34/99/39/141349939.db2.gz VBIDZUGULOEAQO-HNNXBMFYSA-N 2 2 331.464 1.936 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333666528 141352777 /nfs/dbraw/zinc/35/27/77/141352777.db2.gz MKACQKRMSQKORV-ACJLOTCBSA-N 2 2 331.416 1.818 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333666528 141352778 /nfs/dbraw/zinc/35/27/78/141352778.db2.gz MKACQKRMSQKORV-ACJLOTCBSA-N 2 2 331.416 1.818 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333872857 141399009 /nfs/dbraw/zinc/39/90/09/141399009.db2.gz UWMHFCNUIPYZCJ-BFYDXBDKSA-N 2 2 331.464 1.468 20 0 EDADLP Cc1nc(C)c(F)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000339356545 142026227 /nfs/dbraw/zinc/02/62/27/142026227.db2.gz IGYDJZWOSXPYEH-XYPWUTKMSA-N 2 2 333.455 1.980 20 0 EDADLP Cc1nc(C)c(F)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000339356545 142026229 /nfs/dbraw/zinc/02/62/29/142026229.db2.gz IGYDJZWOSXPYEH-XYPWUTKMSA-N 2 2 333.455 1.980 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236032 142315647 /nfs/dbraw/zinc/31/56/47/142315647.db2.gz NXVBLURFASMXGK-RTBURBONSA-N 3 2 344.503 1.576 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236032 142315648 /nfs/dbraw/zinc/31/56/48/142315648.db2.gz NXVBLURFASMXGK-RTBURBONSA-N 3 2 344.503 1.576 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000340264111 142324318 /nfs/dbraw/zinc/32/43/18/142324318.db2.gz LELWZRGAQXQSNR-ROUUACIJSA-N 2 2 331.460 1.176 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000340264111 142324320 /nfs/dbraw/zinc/32/43/20/142324320.db2.gz LELWZRGAQXQSNR-ROUUACIJSA-N 2 2 331.460 1.176 20 0 EDADLP CC(C)NS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340292804 142331855 /nfs/dbraw/zinc/33/18/55/142331855.db2.gz ZJCODYFBTVNUQM-IRXDYDNUSA-N 2 2 339.505 1.739 20 0 EDADLP CC(C)NS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340292804 142331856 /nfs/dbraw/zinc/33/18/56/142331856.db2.gz ZJCODYFBTVNUQM-IRXDYDNUSA-N 2 2 339.505 1.739 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000345271066 143071832 /nfs/dbraw/zinc/07/18/32/143071832.db2.gz KDUXXMXMTUVEHW-XYJFISCASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000345271066 143071833 /nfs/dbraw/zinc/07/18/33/143071833.db2.gz KDUXXMXMTUVEHW-XYJFISCASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+](C)Cc1ccccc1 ZINC000345521718 143101511 /nfs/dbraw/zinc/10/15/11/143101511.db2.gz LHKYICWQKMUQED-INIZCTEOSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000345521718 143101512 /nfs/dbraw/zinc/10/15/12/143101512.db2.gz LHKYICWQKMUQED-INIZCTEOSA-N 2 2 333.476 1.422 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000345703438 143123372 /nfs/dbraw/zinc/12/33/72/143123372.db2.gz CYUFCADWWIBZQH-AWEZNQCLSA-N 2 2 327.375 1.118 20 0 EDADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000345711985 143124377 /nfs/dbraw/zinc/12/43/77/143124377.db2.gz IBQZSKCAMRBXMZ-CYBMUJFWSA-N 2 2 331.794 1.967 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC000345752599 143129095 /nfs/dbraw/zinc/12/90/95/143129095.db2.gz DTURERSMSKUVGH-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC000345752599 143129096 /nfs/dbraw/zinc/12/90/96/143129096.db2.gz DTURERSMSKUVGH-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000345752599 143129097 /nfs/dbraw/zinc/12/90/97/143129097.db2.gz DTURERSMSKUVGH-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC000345752599 143129098 /nfs/dbraw/zinc/12/90/98/143129098.db2.gz DTURERSMSKUVGH-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000346182192 143176068 /nfs/dbraw/zinc/17/60/68/143176068.db2.gz FHABRYJLPCMTCC-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000346182192 143176069 /nfs/dbraw/zinc/17/60/69/143176069.db2.gz FHABRYJLPCMTCC-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000346182192 143176070 /nfs/dbraw/zinc/17/60/70/143176070.db2.gz FHABRYJLPCMTCC-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000346182192 143176071 /nfs/dbraw/zinc/17/60/71/143176071.db2.gz FHABRYJLPCMTCC-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347006120 143270475 /nfs/dbraw/zinc/27/04/75/143270475.db2.gz FIHANVNRJUZQKX-QGZVFWFLSA-N 2 2 345.491 1.327 20 0 EDADLP CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347006120 143270476 /nfs/dbraw/zinc/27/04/76/143270476.db2.gz FIHANVNRJUZQKX-QGZVFWFLSA-N 2 2 345.491 1.327 20 0 EDADLP C[C@@H](C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO)c1ccccc1 ZINC000347383064 143315164 /nfs/dbraw/zinc/31/51/64/143315164.db2.gz XNCHWMPHKFKZIE-IRXDYDNUSA-N 2 2 333.476 1.247 20 0 EDADLP C[C@@H](C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO)c1ccccc1 ZINC000347383064 143315165 /nfs/dbraw/zinc/31/51/65/143315165.db2.gz XNCHWMPHKFKZIE-IRXDYDNUSA-N 2 2 333.476 1.247 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000347712728 143352893 /nfs/dbraw/zinc/35/28/93/143352893.db2.gz BAXQQWSMBQNGMW-LSDHHAIUSA-N 2 2 334.464 1.761 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000347712728 143352894 /nfs/dbraw/zinc/35/28/94/143352894.db2.gz BAXQQWSMBQNGMW-LSDHHAIUSA-N 2 2 334.464 1.761 20 0 EDADLP COC1(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000359975725 292121245 /nfs/dbraw/zinc/12/12/45/292121245.db2.gz LPXQGTRURNWGNE-UHFFFAOYSA-N 2 2 333.480 1.538 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](c2ccsc2)O1 ZINC000369814959 155187842 /nfs/dbraw/zinc/18/78/42/155187842.db2.gz VGEDVZOWFJKQQH-HOCLYGCPSA-N 2 2 337.489 1.674 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](c2ccsc2)O1 ZINC000369814959 155187845 /nfs/dbraw/zinc/18/78/45/155187845.db2.gz VGEDVZOWFJKQQH-HOCLYGCPSA-N 2 2 337.489 1.674 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416859307 304352300 /nfs/dbraw/zinc/35/23/00/304352300.db2.gz UDWUPZLGPCZXKZ-GASCZTMLSA-N 2 2 327.432 1.596 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416856959 304351949 /nfs/dbraw/zinc/35/19/49/304351949.db2.gz DMJRDWZIOPLQRJ-INIZCTEOSA-N 2 2 348.491 1.836 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000090016430 286063543 /nfs/dbraw/zinc/06/35/43/286063543.db2.gz IYRVQDMIPCFAJZ-OAGGEKHMSA-N 2 2 332.510 1.290 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000090016430 286063544 /nfs/dbraw/zinc/06/35/44/286063544.db2.gz IYRVQDMIPCFAJZ-OAGGEKHMSA-N 2 2 332.510 1.290 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCOCC2)s1 ZINC000417810381 292198863 /nfs/dbraw/zinc/19/88/63/292198863.db2.gz BUFPOBRTIBMGDT-TZMCWYRMSA-N 2 2 340.493 1.418 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369900102 155222076 /nfs/dbraw/zinc/22/20/76/155222076.db2.gz LZWWLNWUERMVNL-HNNXBMFYSA-N 2 2 348.447 1.288 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000369900102 155222080 /nfs/dbraw/zinc/22/20/80/155222080.db2.gz LZWWLNWUERMVNL-HNNXBMFYSA-N 2 2 348.447 1.288 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000352752727 149151007 /nfs/dbraw/zinc/15/10/07/149151007.db2.gz KSVOJWDUNCSIDI-HNNXBMFYSA-N 2 2 344.419 1.169 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000352752727 149151009 /nfs/dbraw/zinc/15/10/09/149151009.db2.gz KSVOJWDUNCSIDI-HNNXBMFYSA-N 2 2 344.419 1.169 20 0 EDADLP C[C@H]1CSC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352792561 149167495 /nfs/dbraw/zinc/16/74/95/149167495.db2.gz MJLMUGPIDXIUQC-DOTOQJQBSA-N 2 2 333.501 1.672 20 0 EDADLP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352811657 149176440 /nfs/dbraw/zinc/17/64/40/149176440.db2.gz VDZHCACBEZYPGP-LMMKCTJWSA-N 2 2 343.519 1.664 20 0 EDADLP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352811657 149176444 /nfs/dbraw/zinc/17/64/44/149176444.db2.gz VDZHCACBEZYPGP-LMMKCTJWSA-N 2 2 343.519 1.664 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416902029 304354984 /nfs/dbraw/zinc/35/49/84/304354984.db2.gz CVOFWZJEWJCAOF-DZGCQCFKSA-N 2 2 331.420 1.555 20 0 EDADLP COc1cc2c(c(C[N@H+](C)C3CC[NH+](CCO)CC3)c1)O[C@H](C)C2 ZINC000353347857 149375308 /nfs/dbraw/zinc/37/53/08/149375308.db2.gz DFXISVIYGXGRIA-CQSZACIVSA-N 2 2 334.460 1.907 20 0 EDADLP COc1cc2c(c(C[N@@H+](C)C3CC[NH+](CCO)CC3)c1)O[C@H](C)C2 ZINC000353347857 149375311 /nfs/dbraw/zinc/37/53/11/149375311.db2.gz DFXISVIYGXGRIA-CQSZACIVSA-N 2 2 334.460 1.907 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000416977791 304359871 /nfs/dbraw/zinc/35/98/71/304359871.db2.gz BRNZUOWZZOJZST-ZBFHGGJFSA-N 2 2 331.464 1.999 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354897447 150018332 /nfs/dbraw/zinc/01/83/32/150018332.db2.gz JYXGBLJBCMZSOY-GJZGRUSLSA-N 2 2 327.469 1.154 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354897447 150018334 /nfs/dbraw/zinc/01/83/34/150018334.db2.gz JYXGBLJBCMZSOY-GJZGRUSLSA-N 2 2 327.469 1.154 20 0 EDADLP CCCc1[nH+]c2ccccc2n1CCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000354939351 150043545 /nfs/dbraw/zinc/04/35/45/150043545.db2.gz VRUPQEQFAVPQRJ-IBGZPJMESA-N 2 2 346.475 1.808 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCN1C1CC[NH+](C)CC1 ZINC000354985671 150066449 /nfs/dbraw/zinc/06/64/49/150066449.db2.gz SCRXDNCMVBEZRU-HZPDHXFCSA-N 2 2 345.491 1.072 20 0 EDADLP CC[C@H](C(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000355029190 150082974 /nfs/dbraw/zinc/08/29/74/150082974.db2.gz UJWPBMGAGPHFMI-KZNAEPCWSA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@H](C(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000355029190 150082976 /nfs/dbraw/zinc/08/29/76/150082976.db2.gz UJWPBMGAGPHFMI-KZNAEPCWSA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@H](C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000355029190 150082979 /nfs/dbraw/zinc/08/29/79/150082979.db2.gz UJWPBMGAGPHFMI-KZNAEPCWSA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@H](C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000355029190 150082980 /nfs/dbraw/zinc/08/29/80/150082980.db2.gz UJWPBMGAGPHFMI-KZNAEPCWSA-N 2 2 331.460 1.438 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355060563 150097289 /nfs/dbraw/zinc/09/72/89/150097289.db2.gz FRZUDUUXFSZLSL-IAGOWNOFSA-N 2 2 336.524 1.488 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355060563 150097290 /nfs/dbraw/zinc/09/72/90/150097290.db2.gz FRZUDUUXFSZLSL-IAGOWNOFSA-N 2 2 336.524 1.488 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c[nH]1 ZINC000355661271 150353209 /nfs/dbraw/zinc/35/32/09/150353209.db2.gz SGEWRDKXGJVFJS-UHFFFAOYSA-N 2 2 330.388 1.527 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417035295 304363992 /nfs/dbraw/zinc/36/39/92/304363992.db2.gz JUAVVRNNNZMHNQ-NVXWUHKLSA-N 2 2 334.464 1.357 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417065042 304368666 /nfs/dbraw/zinc/36/86/66/304368666.db2.gz AZILWZOPJDRCRU-GFCCVEGCSA-N 2 2 327.379 1.428 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357653298 151103083 /nfs/dbraw/zinc/10/30/83/151103083.db2.gz WCRXONZYBUBXKJ-UHFFFAOYSA-N 2 2 349.475 1.090 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357653298 151103086 /nfs/dbraw/zinc/10/30/86/151103086.db2.gz WCRXONZYBUBXKJ-UHFFFAOYSA-N 2 2 349.475 1.090 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721880 151125954 /nfs/dbraw/zinc/12/59/54/151125954.db2.gz OQJLGEXVPPUMLD-MRXNPFEDSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721880 151125958 /nfs/dbraw/zinc/12/59/58/151125958.db2.gz OQJLGEXVPPUMLD-MRXNPFEDSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@@H]1CSC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000357735846 151131681 /nfs/dbraw/zinc/13/16/81/151131681.db2.gz HRJLBPSZVYRPAD-HIFRSBDPSA-N 2 2 328.526 1.405 20 0 EDADLP C[C@@H]1CSC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357735846 151131683 /nfs/dbraw/zinc/13/16/83/151131683.db2.gz HRJLBPSZVYRPAD-HIFRSBDPSA-N 2 2 328.526 1.405 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000357835781 151166870 /nfs/dbraw/zinc/16/68/70/151166870.db2.gz UQNUJYVVARYMCF-ZACQAIPSSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000357835781 151166873 /nfs/dbraw/zinc/16/68/73/151166873.db2.gz UQNUJYVVARYMCF-ZACQAIPSSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC000357835781 151166876 /nfs/dbraw/zinc/16/68/76/151166876.db2.gz UQNUJYVVARYMCF-ZACQAIPSSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC000357835781 151166879 /nfs/dbraw/zinc/16/68/79/151166879.db2.gz UQNUJYVVARYMCF-ZACQAIPSSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000358136606 151284802 /nfs/dbraw/zinc/28/48/02/151284802.db2.gz LLQNUIYLLHVZLE-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000358136606 151284803 /nfs/dbraw/zinc/28/48/03/151284803.db2.gz LLQNUIYLLHVZLE-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP CC(C)(O)C[NH+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000358470741 151388021 /nfs/dbraw/zinc/38/80/21/151388021.db2.gz OPZHNXCRUYHHGD-UHFFFAOYSA-N 2 2 342.443 1.460 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359295332 151674171 /nfs/dbraw/zinc/67/41/71/151674171.db2.gz CFHCRXHZCJYASU-BFHYXJOUSA-N 2 2 333.432 1.032 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000360803432 152212047 /nfs/dbraw/zinc/21/20/47/152212047.db2.gz VEOIBFHDPGSWQU-CVEARBPZSA-N 2 2 328.501 1.469 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000360803432 152212049 /nfs/dbraw/zinc/21/20/49/152212049.db2.gz VEOIBFHDPGSWQU-CVEARBPZSA-N 2 2 328.501 1.469 20 0 EDADLP Cc1csc2nc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)cc(=O)n12 ZINC000360926482 152254427 /nfs/dbraw/zinc/25/44/27/152254427.db2.gz JUOZRVJYAAFIQP-KBMXLJTQSA-N 2 2 344.484 1.981 20 0 EDADLP Cc1csc2nc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)cc(=O)n12 ZINC000360926482 152254428 /nfs/dbraw/zinc/25/44/28/152254428.db2.gz JUOZRVJYAAFIQP-KBMXLJTQSA-N 2 2 344.484 1.981 20 0 EDADLP Cc1csc2nc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)cc(=O)n12 ZINC000360926482 152254430 /nfs/dbraw/zinc/25/44/30/152254430.db2.gz JUOZRVJYAAFIQP-KBMXLJTQSA-N 2 2 344.484 1.981 20 0 EDADLP Cc1csc2nc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)cc(=O)n12 ZINC000360926482 152254431 /nfs/dbraw/zinc/25/44/31/152254431.db2.gz JUOZRVJYAAFIQP-KBMXLJTQSA-N 2 2 344.484 1.981 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)CC2CCCC2)CC1 ZINC000360954633 152262736 /nfs/dbraw/zinc/26/27/36/152262736.db2.gz NLGHRUXHOZMHKZ-KRWDZBQOSA-N 2 2 326.481 1.935 20 0 EDADLP O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000361101183 152304781 /nfs/dbraw/zinc/30/47/81/152304781.db2.gz ZRKNERQFTSETMA-MOPGFXCFSA-N 2 2 343.471 1.637 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(O)c1 ZINC000361123593 152312727 /nfs/dbraw/zinc/31/27/27/152312727.db2.gz GUGIDROBESPFRE-GOEBONIOSA-N 2 2 346.475 1.921 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(O)c1 ZINC000361123593 152312729 /nfs/dbraw/zinc/31/27/29/152312729.db2.gz GUGIDROBESPFRE-GOEBONIOSA-N 2 2 346.475 1.921 20 0 EDADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cncc(F)c1 ZINC000361131323 152316216 /nfs/dbraw/zinc/31/62/16/152316216.db2.gz ITPWOGRHFOOFBH-ZDUSSCGKSA-N 2 2 338.427 1.098 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417181772 304381390 /nfs/dbraw/zinc/38/13/90/304381390.db2.gz PYTPYVYYIJDPLU-QGZVFWFLSA-N 2 2 334.464 1.277 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000363615766 153013839 /nfs/dbraw/zinc/01/38/39/153013839.db2.gz ZTWMUISAGSXWED-INIZCTEOSA-N 2 2 331.464 1.744 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000363615766 153013841 /nfs/dbraw/zinc/01/38/41/153013841.db2.gz ZTWMUISAGSXWED-INIZCTEOSA-N 2 2 331.464 1.744 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)CC1 ZINC000363678255 153027855 /nfs/dbraw/zinc/02/78/55/153027855.db2.gz SQZLCKLRYIXNBA-INIZCTEOSA-N 2 2 345.447 1.118 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CCO2)CC1 ZINC000363678255 153027856 /nfs/dbraw/zinc/02/78/56/153027856.db2.gz SQZLCKLRYIXNBA-INIZCTEOSA-N 2 2 345.447 1.118 20 0 EDADLP CN(C(=O)c1ccc2nc[nH]c2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363793793 153057591 /nfs/dbraw/zinc/05/75/91/153057591.db2.gz JMSIXCILGXIZFW-CQSZACIVSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)c1ccc2nc[nH]c2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363793793 153057593 /nfs/dbraw/zinc/05/75/93/153057593.db2.gz JMSIXCILGXIZFW-CQSZACIVSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)c1ccc2nc[nH]c2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363793792 153057780 /nfs/dbraw/zinc/05/77/80/153057780.db2.gz JMSIXCILGXIZFW-AWEZNQCLSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)c1ccc2nc[nH]c2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363793792 153057784 /nfs/dbraw/zinc/05/77/84/153057784.db2.gz JMSIXCILGXIZFW-AWEZNQCLSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)NCC1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363816801 153064978 /nfs/dbraw/zinc/06/49/78/153064978.db2.gz JHEBWVWIRGTPSN-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C(=O)NCC1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363816801 153064980 /nfs/dbraw/zinc/06/49/80/153064980.db2.gz JHEBWVWIRGTPSN-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000364255202 153188236 /nfs/dbraw/zinc/18/82/36/153188236.db2.gz IVHUKQNTKBCYEQ-HKUYNNGSSA-N 2 2 345.487 1.969 20 0 EDADLP CSCCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364380485 153221018 /nfs/dbraw/zinc/22/10/18/153221018.db2.gz OLSBQTAZZPKPQS-OAHLLOKOSA-N 2 2 342.553 1.987 20 0 EDADLP CSCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364380485 153221021 /nfs/dbraw/zinc/22/10/21/153221021.db2.gz OLSBQTAZZPKPQS-OAHLLOKOSA-N 2 2 342.553 1.987 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000364555336 153269535 /nfs/dbraw/zinc/26/95/35/153269535.db2.gz PDPLFDSPZLBTHE-SOLBZPMBSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)C[C@H](C)[N@@H+]1CCO ZINC000364555336 153269538 /nfs/dbraw/zinc/26/95/38/153269538.db2.gz PDPLFDSPZLBTHE-SOLBZPMBSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@H](C)[NH+]1CCO ZINC000364555336 153269541 /nfs/dbraw/zinc/26/95/41/153269541.db2.gz PDPLFDSPZLBTHE-SOLBZPMBSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C[C@H](C)[NH+]1CCO ZINC000364555336 153269544 /nfs/dbraw/zinc/26/95/44/153269544.db2.gz PDPLFDSPZLBTHE-SOLBZPMBSA-N 2 2 331.460 1.174 20 0 EDADLP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000364563461 153273113 /nfs/dbraw/zinc/27/31/13/153273113.db2.gz STKNHPSZDFTJRB-AEFFLSMTSA-N 2 2 333.863 1.984 20 0 EDADLP Cc1cccc(NC2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)[nH+]1 ZINC000364726922 153315028 /nfs/dbraw/zinc/31/50/28/153315028.db2.gz ZTDDZVZNCCBSCW-UHFFFAOYSA-N 2 2 340.431 1.476 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cc2)CC1 ZINC000364831200 153345934 /nfs/dbraw/zinc/34/59/34/153345934.db2.gz VSUFAFTXSITNHR-OAHLLOKOSA-N 2 2 339.443 1.836 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367118053 154014081 /nfs/dbraw/zinc/01/40/81/154014081.db2.gz XANZPDIUFZIFFO-AEFFLSMTSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367118053 154014085 /nfs/dbraw/zinc/01/40/85/154014085.db2.gz XANZPDIUFZIFFO-AEFFLSMTSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1CCCN(C(=O)CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000367118053 154014086 /nfs/dbraw/zinc/01/40/86/154014086.db2.gz XANZPDIUFZIFFO-AEFFLSMTSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1CCCN(C(=O)CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000367118053 154014090 /nfs/dbraw/zinc/01/40/90/154014090.db2.gz XANZPDIUFZIFFO-AEFFLSMTSA-N 2 2 336.524 1.345 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367129444 154017180 /nfs/dbraw/zinc/01/71/80/154017180.db2.gz SAJNENAVOZMDQP-HOTGVXAUSA-N 2 2 335.452 1.168 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367129444 154017182 /nfs/dbraw/zinc/01/71/82/154017182.db2.gz SAJNENAVOZMDQP-HOTGVXAUSA-N 2 2 335.452 1.168 20 0 EDADLP Cc1cnn(C)c1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000367302089 154070798 /nfs/dbraw/zinc/07/07/98/154070798.db2.gz UHOZFIHXNYBJCT-IBGZPJMESA-N 2 2 328.460 1.797 20 0 EDADLP Cc1cnn(C)c1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000367302089 154070799 /nfs/dbraw/zinc/07/07/99/154070799.db2.gz UHOZFIHXNYBJCT-IBGZPJMESA-N 2 2 328.460 1.797 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000367302089 154070802 /nfs/dbraw/zinc/07/08/02/154070802.db2.gz UHOZFIHXNYBJCT-IBGZPJMESA-N 2 2 328.460 1.797 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000367302089 154070803 /nfs/dbraw/zinc/07/08/03/154070803.db2.gz UHOZFIHXNYBJCT-IBGZPJMESA-N 2 2 328.460 1.797 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(S(N)(=O)=O)c1 ZINC000367438535 154122381 /nfs/dbraw/zinc/12/23/81/154122381.db2.gz NPPZIMCMRTYSGS-GFCCVEGCSA-N 2 2 334.445 1.718 20 0 EDADLP C[NH+](C)CCN1CCC(NC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000367876142 154308911 /nfs/dbraw/zinc/30/89/11/154308911.db2.gz FETCGXUZJJPUEC-UHFFFAOYSA-N 2 2 348.495 1.045 20 0 EDADLP CN(C)CC[NH+]1CCC(NC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000367876142 154308916 /nfs/dbraw/zinc/30/89/16/154308916.db2.gz FETCGXUZJJPUEC-UHFFFAOYSA-N 2 2 348.495 1.045 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1C ZINC000367956321 154342738 /nfs/dbraw/zinc/34/27/38/154342738.db2.gz MQAGPUVXZYTFEC-IJEWVQPXSA-N 2 2 334.464 1.322 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1C ZINC000367956321 154342740 /nfs/dbraw/zinc/34/27/40/154342740.db2.gz MQAGPUVXZYTFEC-IJEWVQPXSA-N 2 2 334.464 1.322 20 0 EDADLP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)s1 ZINC000368015255 154369749 /nfs/dbraw/zinc/36/97/49/154369749.db2.gz CLCBDSKPFJIAFF-YDHLFZDLSA-N 2 2 325.478 1.787 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCN2C1=O ZINC000369426951 155029063 /nfs/dbraw/zinc/02/90/63/155029063.db2.gz NIDFGTHVZUBWTJ-INIZCTEOSA-N 2 2 339.399 1.341 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCN2C1=O ZINC000369426951 155029068 /nfs/dbraw/zinc/02/90/68/155029068.db2.gz NIDFGTHVZUBWTJ-INIZCTEOSA-N 2 2 339.399 1.341 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)NCCC[NH+]1CCCCC1 ZINC000369527688 155072261 /nfs/dbraw/zinc/07/22/61/155072261.db2.gz NYOMDIQZSLEJCP-MRXNPFEDSA-N 2 2 333.480 1.963 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)oc1C ZINC000369535432 155075807 /nfs/dbraw/zinc/07/58/07/155075807.db2.gz RQRARIKQKSCCPN-UHFFFAOYSA-N 2 2 346.435 1.405 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)NCCn3cc[nH+]c3)CC2)oc1C ZINC000369535432 155075812 /nfs/dbraw/zinc/07/58/12/155075812.db2.gz RQRARIKQKSCCPN-UHFFFAOYSA-N 2 2 346.435 1.405 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC2CC([NH+]3CCCCC3)C2)nc[nH+]1 ZINC000369556112 155086276 /nfs/dbraw/zinc/08/62/76/155086276.db2.gz JIAFKWXKFSFVGT-HWOWSKLDSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC2CC([NH+]3CCCCC3)C2)[nH+]cn1 ZINC000369556112 155086279 /nfs/dbraw/zinc/08/62/79/155086279.db2.gz JIAFKWXKFSFVGT-HWOWSKLDSA-N 2 2 331.464 1.867 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369648766 155119563 /nfs/dbraw/zinc/11/95/63/155119563.db2.gz PWEWYRKYTSESJL-VVLHAWIVSA-N 2 2 345.491 1.771 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369648766 155119566 /nfs/dbraw/zinc/11/95/66/155119566.db2.gz PWEWYRKYTSESJL-VVLHAWIVSA-N 2 2 345.491 1.771 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369648766 155119567 /nfs/dbraw/zinc/11/95/67/155119567.db2.gz PWEWYRKYTSESJL-VVLHAWIVSA-N 2 2 345.491 1.771 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000369648766 155119569 /nfs/dbraw/zinc/11/95/69/155119569.db2.gz PWEWYRKYTSESJL-VVLHAWIVSA-N 2 2 345.491 1.771 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)([NH+]2CCCCC2)CC1 ZINC000369658026 155122482 /nfs/dbraw/zinc/12/24/82/155122482.db2.gz CMUHJCMXKZRSRD-UHFFFAOYSA-N 3 2 333.480 1.340 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1COc2ccccc2C1 ZINC000574822862 306657959 /nfs/dbraw/zinc/65/79/59/306657959.db2.gz NXJYOAXAIVQAPT-HBUWYVDXSA-N 2 2 326.400 1.333 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC1CCOCC1 ZINC000371568981 156008124 /nfs/dbraw/zinc/00/81/24/156008124.db2.gz BNFQIKQCHNAMLZ-KRWDZBQOSA-N 2 2 337.508 1.870 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC1CCOCC1 ZINC000371568981 156008126 /nfs/dbraw/zinc/00/81/26/156008126.db2.gz BNFQIKQCHNAMLZ-KRWDZBQOSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000372045924 156223967 /nfs/dbraw/zinc/22/39/67/156223967.db2.gz ICQRMNLYLIBUQH-AKHDSKFASA-N 3 2 339.524 1.434 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000372045924 156223970 /nfs/dbraw/zinc/22/39/70/156223970.db2.gz ICQRMNLYLIBUQH-AKHDSKFASA-N 3 2 339.524 1.434 20 0 EDADLP COCCn1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000372409347 156374642 /nfs/dbraw/zinc/37/46/42/156374642.db2.gz DSTWWCXBIBJKRS-UHFFFAOYSA-N 2 2 346.479 1.322 20 0 EDADLP COCCn1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000372409347 156374646 /nfs/dbraw/zinc/37/46/46/156374646.db2.gz DSTWWCXBIBJKRS-UHFFFAOYSA-N 2 2 346.479 1.322 20 0 EDADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nnc4n3CCOC4)CC2)C[C@@H](C)O1 ZINC000373859232 157037347 /nfs/dbraw/zinc/03/73/47/157037347.db2.gz LTQHFFDHMRLJPY-HUUCEWRRSA-N 2 2 349.479 1.130 20 0 EDADLP CC[C@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374771598 157394291 /nfs/dbraw/zinc/39/42/91/157394291.db2.gz ODUCPJWHEJLXJB-INIZCTEOSA-N 2 2 332.492 1.935 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374771598 157394293 /nfs/dbraw/zinc/39/42/93/157394293.db2.gz ODUCPJWHEJLXJB-INIZCTEOSA-N 2 2 332.492 1.935 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377980901 158046340 /nfs/dbraw/zinc/04/63/40/158046340.db2.gz BMAHJINNPDEMQO-HNNXBMFYSA-N 2 2 327.432 1.828 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377980901 158046344 /nfs/dbraw/zinc/04/63/44/158046344.db2.gz BMAHJINNPDEMQO-HNNXBMFYSA-N 2 2 327.432 1.828 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000378207916 158110448 /nfs/dbraw/zinc/11/04/48/158110448.db2.gz TZKUPMDRHZESNV-VQIMIIECSA-N 2 2 349.450 1.438 20 0 EDADLP CC[C@@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000378228873 158116181 /nfs/dbraw/zinc/11/61/81/158116181.db2.gz YEQODXIQCQQEPZ-KBXCAEBGSA-N 2 2 332.448 1.313 20 0 EDADLP COc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000378365894 158153635 /nfs/dbraw/zinc/15/36/35/158153635.db2.gz MXPAZDHJQRUONR-OAHLLOKOSA-N 2 2 331.460 1.936 20 0 EDADLP COc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000378365894 158153637 /nfs/dbraw/zinc/15/36/37/158153637.db2.gz MXPAZDHJQRUONR-OAHLLOKOSA-N 2 2 331.460 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000378563379 158209654 /nfs/dbraw/zinc/20/96/54/158209654.db2.gz LVQPPLCANSPOLX-HNNXBMFYSA-N 2 2 343.431 1.733 20 0 EDADLP Cc1cccc(NC(=O)C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000378599506 158217247 /nfs/dbraw/zinc/21/72/47/158217247.db2.gz VJOIIWUZFOFHSS-UHFFFAOYSA-N 2 2 344.459 1.172 20 0 EDADLP Cc1cccc(NC(=O)C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000378599506 158217248 /nfs/dbraw/zinc/21/72/48/158217248.db2.gz VJOIIWUZFOFHSS-UHFFFAOYSA-N 2 2 344.459 1.172 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534450 162237470 /nfs/dbraw/zinc/23/74/70/162237470.db2.gz GRIUEVNRTQUEPX-SFHVURJKSA-N 2 2 333.480 1.141 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534450 162237472 /nfs/dbraw/zinc/23/74/72/162237472.db2.gz GRIUEVNRTQUEPX-SFHVURJKSA-N 2 2 333.480 1.141 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000363028043 162310550 /nfs/dbraw/zinc/31/05/50/162310550.db2.gz LFRSJEKHOGODBC-MRXNPFEDSA-N 2 2 332.448 1.089 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C1CC1 ZINC000365171996 162351312 /nfs/dbraw/zinc/35/13/12/162351312.db2.gz UFBBCFGUSKBJQU-HUUCEWRRSA-N 2 2 345.491 1.221 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000069479365 287251978 /nfs/dbraw/zinc/25/19/78/287251978.db2.gz BPJKZXXKDISKKR-UHFFFAOYSA-N 2 2 333.436 1.362 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000074110568 287268066 /nfs/dbraw/zinc/26/80/66/287268066.db2.gz XPZGKLPJRMDACX-BBWFWOEESA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000074110568 287268070 /nfs/dbraw/zinc/26/80/70/287268070.db2.gz XPZGKLPJRMDACX-BBWFWOEESA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000075837832 287279345 /nfs/dbraw/zinc/27/93/45/287279345.db2.gz BNRWCWWTYBVQRI-ZACQAIPSSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000075837832 287279346 /nfs/dbraw/zinc/27/93/46/287279346.db2.gz BNRWCWWTYBVQRI-ZACQAIPSSA-N 2 2 337.508 1.866 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000119108078 287349777 /nfs/dbraw/zinc/34/97/77/287349777.db2.gz JSGZGHFUJSVKRT-HABDOHHLSA-N 2 2 334.464 1.922 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000159233897 225176225 /nfs/dbraw/zinc/17/62/25/225176225.db2.gz RESIQMXNYZFLCE-RDJZCZTQSA-N 2 2 327.432 1.845 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000159233897 225176229 /nfs/dbraw/zinc/17/62/29/225176229.db2.gz RESIQMXNYZFLCE-RDJZCZTQSA-N 2 2 327.432 1.845 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000164172012 226050553 /nfs/dbraw/zinc/05/05/53/226050553.db2.gz QIQLOJGGOOSMGY-MRXNPFEDSA-N 2 2 347.463 1.072 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1CSC[NH2+]1 ZINC000166933359 226174816 /nfs/dbraw/zinc/17/48/16/226174816.db2.gz FYHADYMBGVLVMP-MRXNPFEDSA-N 2 2 335.473 1.492 20 0 EDADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000168534123 226216736 /nfs/dbraw/zinc/21/67/36/226216736.db2.gz HOAKWUOQHVELLD-QZTJIDSGSA-N 2 2 331.460 1.046 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000418393626 304490262 /nfs/dbraw/zinc/49/02/62/304490262.db2.gz FKFLSJHKLVTPRL-KRWDZBQOSA-N 2 2 332.448 1.130 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418431653 304495057 /nfs/dbraw/zinc/49/50/57/304495057.db2.gz SQWNAEJGGPWNHN-HRCADAONSA-N 2 2 333.480 1.902 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418431655 304495165 /nfs/dbraw/zinc/49/51/65/304495165.db2.gz SQWNAEJGGPWNHN-XHSDSOJGSA-N 2 2 333.480 1.902 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000237082689 273007533 /nfs/dbraw/zinc/00/75/33/273007533.db2.gz OPVZZNGUBTZTDY-SFHVURJKSA-N 3 2 332.492 1.609 20 0 EDADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCn1cc[nH+]c1 ZINC000274379030 268131105 /nfs/dbraw/zinc/13/11/05/268131105.db2.gz MFXVIYJEWBSFOD-AWEZNQCLSA-N 2 2 326.400 1.938 20 0 EDADLP CC1(C)OCc2cc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc2O1 ZINC000274613730 268168869 /nfs/dbraw/zinc/16/88/69/268168869.db2.gz DGFMHZPNMKYYGG-MRXNPFEDSA-N 2 2 347.459 1.761 20 0 EDADLP CC1(C)OCc2cc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)ccc2O1 ZINC000274613730 268168871 /nfs/dbraw/zinc/16/88/71/268168871.db2.gz DGFMHZPNMKYYGG-MRXNPFEDSA-N 2 2 347.459 1.761 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275944880 268386304 /nfs/dbraw/zinc/38/63/04/268386304.db2.gz LQECYTSIXRMTPP-AWEZNQCLSA-N 2 2 340.431 1.284 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275944880 268386305 /nfs/dbraw/zinc/38/63/05/268386305.db2.gz LQECYTSIXRMTPP-AWEZNQCLSA-N 2 2 340.431 1.284 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)[NH+](C)C ZINC000275618963 273114110 /nfs/dbraw/zinc/11/41/10/273114110.db2.gz MEKYEOBMVPNKTF-HOCLYGCPSA-N 2 2 334.464 1.714 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000275706072 273120748 /nfs/dbraw/zinc/12/07/48/273120748.db2.gz UQMJKUXNERPGSY-LSDHHAIUSA-N 2 2 349.479 1.651 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000043311579 272910609 /nfs/dbraw/zinc/91/06/09/272910609.db2.gz DNOOXLSHAVGJCE-QGZVFWFLSA-N 2 2 343.431 1.256 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NCCCNc2cccc[nH+]2)C[C@@H](C)O1 ZINC000045454884 272911467 /nfs/dbraw/zinc/91/14/67/272911467.db2.gz HZAFMPHOLRMZIL-HZPDHXFCSA-N 2 2 349.479 1.682 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000278242003 273256068 /nfs/dbraw/zinc/25/60/68/273256068.db2.gz TYLHUNIZUFFWCM-ZFWWWQNUSA-N 2 2 336.823 1.643 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000278949707 273275403 /nfs/dbraw/zinc/27/54/03/273275403.db2.gz XDEGBVJGEUVXJA-OAHLLOKOSA-N 2 2 334.464 1.933 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000279110344 273280368 /nfs/dbraw/zinc/28/03/68/273280368.db2.gz VXWOSHZRHKMYDX-RTBURBONSA-N 2 2 343.471 1.491 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000279110344 273280369 /nfs/dbraw/zinc/28/03/69/273280369.db2.gz VXWOSHZRHKMYDX-RTBURBONSA-N 2 2 343.471 1.491 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000279110340 273280387 /nfs/dbraw/zinc/28/03/87/273280387.db2.gz VXWOSHZRHKMYDX-OALUTQOASA-N 2 2 343.471 1.491 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000279110340 273280388 /nfs/dbraw/zinc/28/03/88/273280388.db2.gz VXWOSHZRHKMYDX-OALUTQOASA-N 2 2 343.471 1.491 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC000279144278 273283262 /nfs/dbraw/zinc/28/32/62/273283262.db2.gz GNYJALUKFRFHRX-UHFFFAOYSA-N 2 2 330.436 1.293 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC000279144278 273283263 /nfs/dbraw/zinc/28/32/63/273283263.db2.gz GNYJALUKFRFHRX-UHFFFAOYSA-N 2 2 330.436 1.293 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)N1CC[NH+](C)CC1 ZINC000281192784 273446968 /nfs/dbraw/zinc/44/69/68/273446968.db2.gz CURUTSABTIKHOA-ZDUSSCGKSA-N 2 2 338.883 1.976 20 0 EDADLP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283922416 274012360 /nfs/dbraw/zinc/01/23/60/274012360.db2.gz CGCWPHNFJIUMOO-FUHWJXTLSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283922416 274012361 /nfs/dbraw/zinc/01/23/61/274012361.db2.gz CGCWPHNFJIUMOO-FUHWJXTLSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@@H](C)C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283922416 274012363 /nfs/dbraw/zinc/01/23/63/274012363.db2.gz CGCWPHNFJIUMOO-FUHWJXTLSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@@H](C)C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283922416 274012364 /nfs/dbraw/zinc/01/23/64/274012364.db2.gz CGCWPHNFJIUMOO-FUHWJXTLSA-N 2 2 333.476 1.591 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)CC3 ZINC000123239331 274120271 /nfs/dbraw/zinc/12/02/71/274120271.db2.gz DBNFNWHCRGJGCG-HUUCEWRRSA-N 2 2 342.487 1.869 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)CC3 ZINC000123239331 274120272 /nfs/dbraw/zinc/12/02/72/274120272.db2.gz DBNFNWHCRGJGCG-HUUCEWRRSA-N 2 2 342.487 1.869 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000284327356 274162388 /nfs/dbraw/zinc/16/23/88/274162388.db2.gz IKNNVRXYAKTASL-GOSISDBHSA-N 2 2 333.476 1.860 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H](C)OC)CC2)CC1 ZINC000666216230 452692415 /nfs/dbraw/zinc/69/24/15/452692415.db2.gz GLGCOAITSSSQNL-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H](C)OC)CC2)CC1 ZINC000666216230 452692423 /nfs/dbraw/zinc/69/24/23/452692423.db2.gz GLGCOAITSSSQNL-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)CCC[N@@H+]1C ZINC000284644319 274276825 /nfs/dbraw/zinc/27/68/25/274276825.db2.gz WDLTUULNKGQYLZ-CGTJXYLNSA-N 2 2 341.459 1.619 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H](C(N)=O)c2ccccc2)CCC[N@H+]1C ZINC000284644319 274276828 /nfs/dbraw/zinc/27/68/28/274276828.db2.gz WDLTUULNKGQYLZ-CGTJXYLNSA-N 2 2 341.459 1.619 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000284871892 274367505 /nfs/dbraw/zinc/36/75/05/274367505.db2.gz BLEIOFVZSTUPRU-UHFFFAOYSA-N 2 2 337.468 1.007 20 0 EDADLP CC(C)(C)[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(N)=O ZINC000285292783 274503419 /nfs/dbraw/zinc/50/34/19/274503419.db2.gz BHJFYJYLSGCFPS-QGZVFWFLSA-N 2 2 332.492 1.688 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000411395780 274897439 /nfs/dbraw/zinc/89/74/39/274897439.db2.gz DSDRFJHPTVXPJA-IRXDYDNUSA-N 2 2 345.491 1.723 20 0 EDADLP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000362564189 275011276 /nfs/dbraw/zinc/01/12/76/275011276.db2.gz IKOZXONMHMUQOK-CQSZACIVSA-N 2 2 331.464 1.577 20 0 EDADLP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000362564189 275011277 /nfs/dbraw/zinc/01/12/77/275011277.db2.gz IKOZXONMHMUQOK-CQSZACIVSA-N 2 2 331.464 1.577 20 0 EDADLP CC(C)c1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000343275377 275730927 /nfs/dbraw/zinc/73/09/27/275730927.db2.gz UCIBQUIXOGETFW-HUUCEWRRSA-N 2 2 333.480 1.965 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)CC1 ZINC000422026505 276149588 /nfs/dbraw/zinc/14/95/88/276149588.db2.gz UWRJITITXYSABJ-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)CC1 ZINC000422026505 276149589 /nfs/dbraw/zinc/14/95/89/276149589.db2.gz UWRJITITXYSABJ-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000413285892 276227295 /nfs/dbraw/zinc/22/72/95/276227295.db2.gz CSZDISWLUXUKPF-SWLSCSKDSA-N 2 2 340.418 1.961 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000413285892 276227297 /nfs/dbraw/zinc/22/72/97/276227297.db2.gz CSZDISWLUXUKPF-SWLSCSKDSA-N 2 2 340.418 1.961 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363672127 276360702 /nfs/dbraw/zinc/36/07/02/276360702.db2.gz MPXWYZFQVHJSGJ-ZWKOTPCHSA-N 2 2 336.524 1.347 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363672127 276360703 /nfs/dbraw/zinc/36/07/03/276360703.db2.gz MPXWYZFQVHJSGJ-ZWKOTPCHSA-N 2 2 336.524 1.347 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423515389 277116234 /nfs/dbraw/zinc/11/62/34/277116234.db2.gz NDFHCNZSAHWGHC-NCYKPQTJSA-N 3 2 342.531 1.923 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423515389 277116235 /nfs/dbraw/zinc/11/62/35/277116235.db2.gz NDFHCNZSAHWGHC-NCYKPQTJSA-N 3 2 342.531 1.923 20 0 EDADLP C[N@@H+]1CCc2nc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)sc2C1 ZINC000272262388 277188657 /nfs/dbraw/zinc/18/86/57/277188657.db2.gz QTVRIXUXLFDCLK-UHFFFAOYSA-N 2 2 340.412 1.964 20 0 EDADLP C[N@H+]1CCc2nc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)sc2C1 ZINC000272262388 277188658 /nfs/dbraw/zinc/18/86/58/277188658.db2.gz QTVRIXUXLFDCLK-UHFFFAOYSA-N 2 2 340.412 1.964 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC2(C1)CCCCC2)[NH+]1CCOCC1 ZINC000377371905 277300027 /nfs/dbraw/zinc/30/00/27/277300027.db2.gz KIQUSQBOHQUKDT-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC2(C1)CCCCC2)[NH+]1CCOCC1 ZINC000377371905 277300029 /nfs/dbraw/zinc/30/00/29/277300029.db2.gz KIQUSQBOHQUKDT-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000342707569 278047930 /nfs/dbraw/zinc/04/79/30/278047930.db2.gz MXJPMDVQZSCRGV-SZMVWBNQSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000342707569 278047933 /nfs/dbraw/zinc/04/79/33/278047933.db2.gz MXJPMDVQZSCRGV-SZMVWBNQSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333501158 278202811 /nfs/dbraw/zinc/20/28/11/278202811.db2.gz FLPNYQUYEYPRQM-SCLBCKFNSA-N 2 2 348.422 1.938 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333501158 278202815 /nfs/dbraw/zinc/20/28/15/278202815.db2.gz FLPNYQUYEYPRQM-SCLBCKFNSA-N 2 2 348.422 1.938 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000263273311 278565967 /nfs/dbraw/zinc/56/59/67/278565967.db2.gz SNFMKCJJJVFLLK-RDJZCZTQSA-N 2 2 335.452 1.061 20 0 EDADLP C[C@@H]1c2cccn2CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364228619 279139871 /nfs/dbraw/zinc/13/98/71/279139871.db2.gz DPKBFQGAUHOIAY-HZPDHXFCSA-N 2 2 345.491 1.743 20 0 EDADLP C[C@@H]1c2cccn2CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364228619 279139872 /nfs/dbraw/zinc/13/98/72/279139872.db2.gz DPKBFQGAUHOIAY-HZPDHXFCSA-N 2 2 345.491 1.743 20 0 EDADLP C[C@H](C(=O)NCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000336908421 279223067 /nfs/dbraw/zinc/22/30/67/279223067.db2.gz GLFMHYDNNZUPJZ-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@H](C(=O)NCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000336908421 279223069 /nfs/dbraw/zinc/22/30/69/279223069.db2.gz GLFMHYDNNZUPJZ-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340186696 279336232 /nfs/dbraw/zinc/33/62/32/279336232.db2.gz XOWVXUKBYWGXNZ-WMLDXEAASA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340186696 279336233 /nfs/dbraw/zinc/33/62/33/279336233.db2.gz XOWVXUKBYWGXNZ-WMLDXEAASA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000347457009 279394908 /nfs/dbraw/zinc/39/49/08/279394908.db2.gz WPKASYMNGQWOFN-KURKYZTESA-N 2 2 331.460 1.659 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000347457009 279394910 /nfs/dbraw/zinc/39/49/10/279394910.db2.gz WPKASYMNGQWOFN-KURKYZTESA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000347457009 279394911 /nfs/dbraw/zinc/39/49/11/279394911.db2.gz WPKASYMNGQWOFN-KURKYZTESA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000347457009 279394912 /nfs/dbraw/zinc/39/49/12/279394912.db2.gz WPKASYMNGQWOFN-KURKYZTESA-N 2 2 331.460 1.659 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000287167466 288171452 /nfs/dbraw/zinc/17/14/52/288171452.db2.gz NZDKWOZDLBFZJY-PBHICJAKSA-N 2 2 325.416 1.966 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3cc(Cl)cn3)CC2)CC1 ZINC000287183407 288175487 /nfs/dbraw/zinc/17/54/87/288175487.db2.gz BBHRKPAIFWPZLR-UHFFFAOYSA-N 2 2 339.871 1.211 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129683460 280244291 /nfs/dbraw/zinc/24/42/91/280244291.db2.gz HXRDDAVENLARHQ-RCCFBDPRSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129683460 280244294 /nfs/dbraw/zinc/24/42/94/280244294.db2.gz HXRDDAVENLARHQ-RCCFBDPRSA-N 2 2 337.508 1.820 20 0 EDADLP O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000328641063 280350176 /nfs/dbraw/zinc/35/01/76/280350176.db2.gz CZJKCBDOLJHMTB-CABCVRRESA-N 2 2 337.489 1.834 20 0 EDADLP O=S1(=O)CC[C@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000328641063 280350178 /nfs/dbraw/zinc/35/01/78/280350178.db2.gz CZJKCBDOLJHMTB-CABCVRRESA-N 2 2 337.489 1.834 20 0 EDADLP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C(N)=O)c3ccccc3)C2)nc(C)[nH+]1 ZINC000363632537 280551213 /nfs/dbraw/zinc/55/12/13/280551213.db2.gz FHQNFGYAGGKXFH-SJLPKXTDSA-N 2 2 339.443 1.878 20 0 EDADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc(-n2ccnn2)c1 ZINC000287667116 288289617 /nfs/dbraw/zinc/28/96/17/288289617.db2.gz LZNUQVNLSJOAHW-JKSUJKDBSA-N 2 2 329.448 1.886 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333407473 281285123 /nfs/dbraw/zinc/28/51/23/281285123.db2.gz QSTVPMXLPLWECX-HZPDHXFCSA-N 2 2 338.496 1.128 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333407473 281285124 /nfs/dbraw/zinc/28/51/24/281285124.db2.gz QSTVPMXLPLWECX-HZPDHXFCSA-N 2 2 338.496 1.128 20 0 EDADLP CC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000374407469 281302125 /nfs/dbraw/zinc/30/21/25/281302125.db2.gz WBMIJUDBJAEIQW-ICSRJNTNSA-N 2 2 345.487 1.874 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc3c2CNC3=O)CC1 ZINC000287810956 288329013 /nfs/dbraw/zinc/32/90/13/288329013.db2.gz SQFHHOSYRHNTHG-UHFFFAOYSA-N 2 2 345.447 1.078 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc(Cl)cn1 ZINC000287975878 288371758 /nfs/dbraw/zinc/37/17/58/288371758.db2.gz JIXAWWUNPPOPCV-UHFFFAOYSA-N 2 2 327.860 1.021 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc(Cl)cn1 ZINC000287975878 288371759 /nfs/dbraw/zinc/37/17/59/288371759.db2.gz JIXAWWUNPPOPCV-UHFFFAOYSA-N 2 2 327.860 1.021 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000289866062 288793223 /nfs/dbraw/zinc/79/32/23/288793223.db2.gz GTKKDGYNUBOJAQ-SJORKVTESA-N 2 2 341.459 1.367 20 0 EDADLP COCC[C@H]1COCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000291327736 289039094 /nfs/dbraw/zinc/03/90/94/289039094.db2.gz VJFGLMNLWHGGQP-IRXDYDNUSA-N 2 2 347.459 1.751 20 0 EDADLP COCC[C@H]1COCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000291327736 289039095 /nfs/dbraw/zinc/03/90/95/289039095.db2.gz VJFGLMNLWHGGQP-IRXDYDNUSA-N 2 2 347.459 1.751 20 0 EDADLP C[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000348588563 289293251 /nfs/dbraw/zinc/29/32/51/289293251.db2.gz PBJWZCLLHBVEJK-LZQZEXGQSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@H]21)[N@H+]1CCc2ccccc2C1 ZINC000348588563 289293254 /nfs/dbraw/zinc/29/32/54/289293254.db2.gz PBJWZCLLHBVEJK-LZQZEXGQSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCc2ccccc2C1 ZINC000348588563 289293259 /nfs/dbraw/zinc/29/32/59/289293259.db2.gz PBJWZCLLHBVEJK-LZQZEXGQSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCc2ccccc2C1 ZINC000348588563 289293262 /nfs/dbraw/zinc/29/32/62/289293262.db2.gz PBJWZCLLHBVEJK-LZQZEXGQSA-N 2 2 343.471 1.365 20 0 EDADLP COC[C@H]1CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000458486064 293215653 /nfs/dbraw/zinc/21/56/53/293215653.db2.gz VHGIXYRZBMTEGH-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP Cn1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C(C)(C)C)n1 ZINC000367725858 294236247 /nfs/dbraw/zinc/23/62/47/294236247.db2.gz SFHOZTXMIOFQQA-KRWDZBQOSA-N 2 2 333.524 1.929 20 0 EDADLP Cn1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C(C)(C)C)n1 ZINC000367725858 294236249 /nfs/dbraw/zinc/23/62/49/294236249.db2.gz SFHOZTXMIOFQQA-KRWDZBQOSA-N 2 2 333.524 1.929 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357087881 295134247 /nfs/dbraw/zinc/13/42/47/295134247.db2.gz SMEFJCJXYFMRRT-BPUTZDHNSA-N 2 2 347.459 1.250 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357087881 295134249 /nfs/dbraw/zinc/13/42/49/295134249.db2.gz SMEFJCJXYFMRRT-BPUTZDHNSA-N 2 2 347.459 1.250 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1CCCC1 ZINC000418632103 304521760 /nfs/dbraw/zinc/52/17/60/304521760.db2.gz YXZBWPQHMHCTLR-QGZVFWFLSA-N 2 2 331.464 1.426 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420379714 304753961 /nfs/dbraw/zinc/75/39/61/304753961.db2.gz YAEOLLNKNFINLW-IIYDPXPESA-N 2 2 332.448 1.351 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@@H](C)CC[NH3+])[NH+]2CCOCC2)c1 ZINC000417004903 302031355 /nfs/dbraw/zinc/03/13/55/302031355.db2.gz XPCGYMQHMCATBO-RDJZCZTQSA-N 2 2 334.464 1.405 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000456207732 447325824 /nfs/dbraw/zinc/32/58/24/447325824.db2.gz TUMLKILRUFECHS-KDURUIRLSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000456207732 447325829 /nfs/dbraw/zinc/32/58/29/447325829.db2.gz TUMLKILRUFECHS-KDURUIRLSA-N 2 2 343.471 1.875 20 0 EDADLP CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000293779047 303017467 /nfs/dbraw/zinc/01/74/67/303017467.db2.gz AVJZJVHNBNQPEX-GJZGRUSLSA-N 2 2 334.445 1.713 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000293922868 303038916 /nfs/dbraw/zinc/03/89/16/303038916.db2.gz BBBZUKMOLLIEFZ-UHFFFAOYSA-N 2 2 325.376 1.278 20 0 EDADLP CC1(C)OCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000295216041 303189951 /nfs/dbraw/zinc/18/99/51/303189951.db2.gz MRBOQDYQSFLOLA-QGZVFWFLSA-N 2 2 347.459 1.614 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)CO)CC1 ZINC000295332819 303206023 /nfs/dbraw/zinc/20/60/23/303206023.db2.gz XFTITXBKJJHTCS-UHFFFAOYSA-N 2 2 347.503 1.590 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)CO)CC1 ZINC000295332819 303206025 /nfs/dbraw/zinc/20/60/25/303206025.db2.gz XFTITXBKJJHTCS-UHFFFAOYSA-N 2 2 347.503 1.590 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000295665906 303249680 /nfs/dbraw/zinc/24/96/80/303249680.db2.gz JSTWCIJLPDIENZ-KRWDZBQOSA-N 2 2 333.476 1.812 20 0 EDADLP COC(=O)COC[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000295736981 303260040 /nfs/dbraw/zinc/26/00/40/303260040.db2.gz ONUZGWJNYQCDGF-LSDHHAIUSA-N 2 2 335.448 1.775 20 0 EDADLP [NH3+]CC[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(F)(F)F ZINC000449720869 303388846 /nfs/dbraw/zinc/38/88/46/303388846.db2.gz AUJGZTOYDJHCHP-AWEZNQCLSA-N 2 2 345.365 1.528 20 0 EDADLP [NH3+]CCc1nc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cs1 ZINC000373509916 303390511 /nfs/dbraw/zinc/39/05/11/303390511.db2.gz PULNXHVYTPOPII-JSGCOSHPSA-N 2 2 338.477 1.018 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000339231373 303802951 /nfs/dbraw/zinc/80/29/51/303802951.db2.gz NVNUGDOJROKOAB-UHFFFAOYSA-N 2 2 339.443 1.496 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000353691190 303817641 /nfs/dbraw/zinc/81/76/41/303817641.db2.gz QTCIWMBPFRSNTE-GOSISDBHSA-N 2 2 349.523 1.848 20 0 EDADLP CCCNC(=O)CCC[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000411239628 303890874 /nfs/dbraw/zinc/89/08/74/303890874.db2.gz QVHSEPFCGLRLDQ-CQSZACIVSA-N 2 2 334.468 1.383 20 0 EDADLP Cn1nc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000421777588 304813016 /nfs/dbraw/zinc/81/30/16/304813016.db2.gz ALMHGAIYQNNJSF-UHFFFAOYSA-N 2 2 343.475 1.258 20 0 EDADLP COC[C@]1(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CCC[NH2+]1 ZINC000423425503 304895615 /nfs/dbraw/zinc/89/56/15/304895615.db2.gz MHICMXFDFFQIEY-CZUORRHYSA-N 2 2 341.477 1.477 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423461352 304896743 /nfs/dbraw/zinc/89/67/43/304896743.db2.gz CFBWXHWKCIYJMD-HNNXBMFYSA-N 2 2 347.463 1.154 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923200 304917256 /nfs/dbraw/zinc/91/72/56/304917256.db2.gz BQELKBDNHJSWIL-LSDHHAIUSA-N 2 2 348.447 1.025 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)[C@@H](C)[NH3+] ZINC000423933297 304919109 /nfs/dbraw/zinc/91/91/09/304919109.db2.gz VKNMVZZCRHBLCT-YCPHGPKFSA-N 2 2 334.464 1.747 20 0 EDADLP Cc1ncc(C[NH+]2CCN(Cc3c[nH+]c(N(C)C)n3C)CC2)s1 ZINC000425335661 304961544 /nfs/dbraw/zinc/96/15/44/304961544.db2.gz JDXSGPKXXSRLJY-UHFFFAOYSA-N 2 2 334.493 1.569 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428032088 305004617 /nfs/dbraw/zinc/00/46/17/305004617.db2.gz NIZSNGQSQCUHAE-XYJFISCASA-N 2 2 331.460 1.562 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428032088 305004618 /nfs/dbraw/zinc/00/46/18/305004618.db2.gz NIZSNGQSQCUHAE-XYJFISCASA-N 2 2 331.460 1.562 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428048229 305005589 /nfs/dbraw/zinc/00/55/89/305005589.db2.gz HUMAGTUSWGCVAB-OALUTQOASA-N 2 2 345.487 1.912 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428048229 305005590 /nfs/dbraw/zinc/00/55/90/305005590.db2.gz HUMAGTUSWGCVAB-OALUTQOASA-N 2 2 345.487 1.912 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3O[C@H](C)C2)CC1 ZINC000429117062 305024184 /nfs/dbraw/zinc/02/41/84/305024184.db2.gz STFFEZMCVGGZLE-OAHLLOKOSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3O[C@H](C)C2)CC1 ZINC000429117062 305024185 /nfs/dbraw/zinc/02/41/85/305024185.db2.gz STFFEZMCVGGZLE-OAHLLOKOSA-N 2 2 331.460 1.870 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430572632 305056516 /nfs/dbraw/zinc/05/65/16/305056516.db2.gz PWERNEDUSYTYKT-MJBXVCDLSA-N 2 2 330.432 1.419 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430572632 305056517 /nfs/dbraw/zinc/05/65/17/305056517.db2.gz PWERNEDUSYTYKT-MJBXVCDLSA-N 2 2 330.432 1.419 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000430574346 305056739 /nfs/dbraw/zinc/05/67/39/305056739.db2.gz NYMZALBQWMJJRK-SFHVURJKSA-N 2 2 346.475 1.141 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)C1CC1 ZINC000430588050 305057392 /nfs/dbraw/zinc/05/73/92/305057392.db2.gz BQVBMOJUKBEFRZ-MRXNPFEDSA-N 2 2 327.375 1.621 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000430602954 305058135 /nfs/dbraw/zinc/05/81/35/305058135.db2.gz XGDFKVOBKGXQRE-KRWDZBQOSA-N 2 2 327.432 1.073 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000430603370 305058248 /nfs/dbraw/zinc/05/82/48/305058248.db2.gz YMMILISZBZJURZ-IBGZPJMESA-N 3 2 348.491 1.420 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430620541 305059611 /nfs/dbraw/zinc/05/96/11/305059611.db2.gz IELNMNVVLJWDDS-CQSZACIVSA-N 2 2 346.500 1.886 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430620541 305059612 /nfs/dbraw/zinc/05/96/12/305059612.db2.gz IELNMNVVLJWDDS-CQSZACIVSA-N 2 2 346.500 1.886 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430658602 305061716 /nfs/dbraw/zinc/06/17/16/305061716.db2.gz XYYXIECUANBCGK-MRXNPFEDSA-N 2 2 333.476 1.771 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430658602 305061717 /nfs/dbraw/zinc/06/17/17/305061717.db2.gz XYYXIECUANBCGK-MRXNPFEDSA-N 2 2 333.476 1.771 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430758571 305064218 /nfs/dbraw/zinc/06/42/18/305064218.db2.gz CRPHDWLYJPJOPX-VBQJREDUSA-N 2 2 349.475 1.699 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430758571 305064219 /nfs/dbraw/zinc/06/42/19/305064219.db2.gz CRPHDWLYJPJOPX-VBQJREDUSA-N 2 2 349.475 1.699 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000430917690 305067979 /nfs/dbraw/zinc/06/79/79/305067979.db2.gz DTBPWCDKVCCAMQ-NUJGCVRESA-N 2 2 330.476 1.298 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000430917690 305067980 /nfs/dbraw/zinc/06/79/80/305067980.db2.gz DTBPWCDKVCCAMQ-NUJGCVRESA-N 2 2 330.476 1.298 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430933267 305069094 /nfs/dbraw/zinc/06/90/94/305069094.db2.gz JYFRNGRWSIHBLI-CQSZACIVSA-N 2 2 332.448 1.388 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430933267 305069095 /nfs/dbraw/zinc/06/90/95/305069095.db2.gz JYFRNGRWSIHBLI-CQSZACIVSA-N 2 2 332.448 1.388 20 0 EDADLP O=C(COC1C[NH2+]C1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000431033407 305073227 /nfs/dbraw/zinc/07/32/27/305073227.db2.gz OXKXPCNMYNSJQB-UHFFFAOYSA-N 2 2 326.400 1.813 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431066958 305074177 /nfs/dbraw/zinc/07/41/77/305074177.db2.gz BOZQQBLAKISFEG-GFCCVEGCSA-N 2 2 337.468 1.636 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000432853702 305096257 /nfs/dbraw/zinc/09/62/57/305096257.db2.gz PMHLJLONCZDOOU-MRXNPFEDSA-N 2 2 337.489 1.607 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000432853702 305096258 /nfs/dbraw/zinc/09/62/58/305096258.db2.gz PMHLJLONCZDOOU-MRXNPFEDSA-N 2 2 337.489 1.607 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000432862618 305096566 /nfs/dbraw/zinc/09/65/66/305096566.db2.gz ZTAZSTINCLXZRT-OWCLPIDISA-N 2 2 346.479 1.425 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000432862618 305096567 /nfs/dbraw/zinc/09/65/67/305096567.db2.gz ZTAZSTINCLXZRT-OWCLPIDISA-N 2 2 346.479 1.425 20 0 EDADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000433552972 305111077 /nfs/dbraw/zinc/11/10/77/305111077.db2.gz HXNHCZVFAOGHKV-CVEARBPZSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000433552972 305111078 /nfs/dbraw/zinc/11/10/78/305111078.db2.gz HXNHCZVFAOGHKV-CVEARBPZSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000433552975 305111144 /nfs/dbraw/zinc/11/11/44/305111144.db2.gz HXNHCZVFAOGHKV-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000433552975 305111145 /nfs/dbraw/zinc/11/11/45/305111145.db2.gz HXNHCZVFAOGHKV-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433867920 305114306 /nfs/dbraw/zinc/11/43/06/305114306.db2.gz KLTZSKNMZGCKLA-ZIAGYGMSSA-N 2 2 325.478 1.461 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433867920 305114307 /nfs/dbraw/zinc/11/43/07/305114307.db2.gz KLTZSKNMZGCKLA-ZIAGYGMSSA-N 2 2 325.478 1.461 20 0 EDADLP CCOCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434495825 305123713 /nfs/dbraw/zinc/12/37/13/305123713.db2.gz ZJEZJKIKYAGPEP-CVEARBPZSA-N 2 2 341.521 1.993 20 0 EDADLP CCOCC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434495825 305123714 /nfs/dbraw/zinc/12/37/14/305123714.db2.gz ZJEZJKIKYAGPEP-CVEARBPZSA-N 2 2 341.521 1.993 20 0 EDADLP CCOCC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000434495825 305123715 /nfs/dbraw/zinc/12/37/15/305123715.db2.gz ZJEZJKIKYAGPEP-CVEARBPZSA-N 2 2 341.521 1.993 20 0 EDADLP CCOCC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000434495825 305123716 /nfs/dbraw/zinc/12/37/16/305123716.db2.gz ZJEZJKIKYAGPEP-CVEARBPZSA-N 2 2 341.521 1.993 20 0 EDADLP CCOCCNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434673010 305127171 /nfs/dbraw/zinc/12/71/71/305127171.db2.gz CMIXIPVAHPIWMI-UHFFFAOYSA-N 2 2 334.464 1.552 20 0 EDADLP COCCCNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434686668 305127580 /nfs/dbraw/zinc/12/75/80/305127580.db2.gz ARHJXKCMQGJJLQ-UHFFFAOYSA-N 2 2 334.464 1.552 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434692523 305127781 /nfs/dbraw/zinc/12/77/81/305127781.db2.gz YIPQGVOGKYAJMF-OAHLLOKOSA-N 2 2 348.491 1.940 20 0 EDADLP CCOc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000435382205 305139624 /nfs/dbraw/zinc/13/96/24/305139624.db2.gz CFEQQZOCUMZVLO-ZIAGYGMSSA-N 2 2 337.464 1.720 20 0 EDADLP CCOc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000435382205 305139625 /nfs/dbraw/zinc/13/96/25/305139625.db2.gz CFEQQZOCUMZVLO-ZIAGYGMSSA-N 2 2 337.464 1.720 20 0 EDADLP Cc1ocnc1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435558496 305142329 /nfs/dbraw/zinc/14/23/29/305142329.db2.gz MNLZMTZMKHXXIR-CYBMUJFWSA-N 2 2 329.404 1.501 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@@H]1CCCS1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435562934 305142393 /nfs/dbraw/zinc/14/23/93/305142393.db2.gz AZBOEZPSXAFNEC-UONOGXRCSA-N 2 2 334.489 1.786 20 0 EDADLP CC[C@@H]1CC[C@H](C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)O1 ZINC000435568717 305142700 /nfs/dbraw/zinc/14/27/00/305142700.db2.gz VEPGKCKTZWROHU-BZUAXINKSA-N 2 2 346.475 1.848 20 0 EDADLP C[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435612524 305143242 /nfs/dbraw/zinc/14/32/42/305143242.db2.gz GKNKYYCYVPYBHR-CQSZACIVSA-N 2 2 326.462 1.543 20 0 EDADLP C[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435612524 305143243 /nfs/dbraw/zinc/14/32/43/305143243.db2.gz GKNKYYCYVPYBHR-CQSZACIVSA-N 2 2 326.462 1.543 20 0 EDADLP CCn1c(C)nnc1CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435695368 305145481 /nfs/dbraw/zinc/14/54/81/305145481.db2.gz NFJGQKKZOHJMFG-HNNXBMFYSA-N 2 2 343.479 1.484 20 0 EDADLP C[C@]1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC[NH2+]C1 ZINC000435723103 305146523 /nfs/dbraw/zinc/14/65/23/305146523.db2.gz MYASVPZPJMAVGU-SFHVURJKSA-N 2 2 328.416 1.820 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1csnn1 ZINC000436469650 305157718 /nfs/dbraw/zinc/15/77/18/305157718.db2.gz DJMOUPKXDXKSLD-ZDUSSCGKSA-N 2 2 346.460 1.323 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000438114047 305181304 /nfs/dbraw/zinc/18/13/04/305181304.db2.gz HFRBPJJJAAAWFP-FUHWJXTLSA-N 2 2 348.491 1.979 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000438114047 305181305 /nfs/dbraw/zinc/18/13/05/305181305.db2.gz HFRBPJJJAAAWFP-FUHWJXTLSA-N 2 2 348.491 1.979 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000438114047 305181306 /nfs/dbraw/zinc/18/13/06/305181306.db2.gz HFRBPJJJAAAWFP-FUHWJXTLSA-N 2 2 348.491 1.979 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000438114047 305181307 /nfs/dbraw/zinc/18/13/07/305181307.db2.gz HFRBPJJJAAAWFP-FUHWJXTLSA-N 2 2 348.491 1.979 20 0 EDADLP CCc1ccnc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000438170487 305182609 /nfs/dbraw/zinc/18/26/09/305182609.db2.gz XZVOCVYQNLZHQR-UHFFFAOYSA-N 2 2 333.480 1.469 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000439845698 305202578 /nfs/dbraw/zinc/20/25/78/305202578.db2.gz ZJYHXHFAWIGJHG-AWEZNQCLSA-N 2 2 334.464 1.451 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000440759312 305212411 /nfs/dbraw/zinc/21/24/11/305212411.db2.gz BEFCGOYHGWHGHD-UHFFFAOYSA-N 2 2 327.448 1.570 20 0 EDADLP COC(=O)COC[C@@H](C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000449069589 305305684 /nfs/dbraw/zinc/30/56/84/305305684.db2.gz HFWFMDYIEADYSO-OAHLLOKOSA-N 2 2 334.460 1.991 20 0 EDADLP COC(=O)COC[C@@H](C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000449069589 305305685 /nfs/dbraw/zinc/30/56/85/305305685.db2.gz HFWFMDYIEADYSO-OAHLLOKOSA-N 2 2 334.460 1.991 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2C)C[C@@H]1[NH+]1CCOCC1 ZINC000449137720 305307443 /nfs/dbraw/zinc/30/74/43/305307443.db2.gz GLIUDEZGRHYFDF-NJAFHUGGSA-N 2 2 331.460 1.564 20 0 EDADLP [NH3+]CC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(F)(F)F ZINC000449729762 305318170 /nfs/dbraw/zinc/31/81/70/305318170.db2.gz OFDLKDGOIXBTHE-AWEZNQCLSA-N 2 2 345.365 1.528 20 0 EDADLP c1coc(CN(CC[NH+]2CCOCC2)CC[N@@H+]2CCCOCC2)c1 ZINC000452051325 305380499 /nfs/dbraw/zinc/38/04/99/305380499.db2.gz TXGSHRWUENDNOX-UHFFFAOYSA-N 2 2 337.464 1.136 20 0 EDADLP c1coc(CN(CC[NH+]2CCOCC2)CC[N@H+]2CCCOCC2)c1 ZINC000452051325 305380500 /nfs/dbraw/zinc/38/05/00/305380500.db2.gz TXGSHRWUENDNOX-UHFFFAOYSA-N 2 2 337.464 1.136 20 0 EDADLP C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000454529438 305429124 /nfs/dbraw/zinc/42/91/24/305429124.db2.gz ACBFILUOZSLUSG-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c2[nH+]ccn21 ZINC000456391960 305462207 /nfs/dbraw/zinc/46/22/07/305462207.db2.gz QWWNSNPIJPLOND-ZFWWWQNUSA-N 2 2 340.431 1.466 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000377797908 447360750 /nfs/dbraw/zinc/36/07/50/447360750.db2.gz BEFQCWNLLDAHRK-KRWDZBQOSA-N 2 2 329.460 1.426 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000377797908 447360758 /nfs/dbraw/zinc/36/07/58/447360758.db2.gz BEFQCWNLLDAHRK-KRWDZBQOSA-N 2 2 329.460 1.426 20 0 EDADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000377797908 447360763 /nfs/dbraw/zinc/36/07/63/447360763.db2.gz BEFQCWNLLDAHRK-KRWDZBQOSA-N 2 2 329.460 1.426 20 0 EDADLP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000377797908 447360768 /nfs/dbraw/zinc/36/07/68/447360768.db2.gz BEFQCWNLLDAHRK-KRWDZBQOSA-N 2 2 329.460 1.426 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)C2)CC1 ZINC000533701684 306002533 /nfs/dbraw/zinc/00/25/33/306002533.db2.gz MWPGIEDDMQACJS-OAHLLOKOSA-N 2 2 340.431 1.466 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccccc2CO)CC1 ZINC000533980047 306002888 /nfs/dbraw/zinc/00/28/88/306002888.db2.gz OAMQQUBGVLEPDN-UHFFFAOYSA-N 2 2 334.464 1.004 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCCC3)ccc2[nH+]1 ZINC000540273740 306039088 /nfs/dbraw/zinc/03/90/88/306039088.db2.gz RVMMMUBZFAPTOV-ZDUSSCGKSA-N 2 2 329.404 1.182 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)c2cc1C ZINC000544111297 306072691 /nfs/dbraw/zinc/07/26/91/306072691.db2.gz OYURMXLMPQRECT-RCJHGTSTSA-N 2 2 329.444 1.717 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)c2cc1C ZINC000544111297 306072692 /nfs/dbraw/zinc/07/26/92/306072692.db2.gz OYURMXLMPQRECT-RCJHGTSTSA-N 2 2 329.444 1.717 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000544817234 306079187 /nfs/dbraw/zinc/07/91/87/306079187.db2.gz PCOVSBYOIJHIGU-INIZCTEOSA-N 2 2 343.431 1.090 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000547628454 306105574 /nfs/dbraw/zinc/10/55/74/306105574.db2.gz RFCNGBYLZNRVGW-BZUAXINKSA-N 2 2 347.463 1.141 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000547672383 306107424 /nfs/dbraw/zinc/10/74/24/306107424.db2.gz DDAPBEFTDOMSED-JKSUJKDBSA-N 2 2 327.432 1.800 20 0 EDADLP CCN1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000547693417 306108692 /nfs/dbraw/zinc/10/86/92/306108692.db2.gz DOHNHEABFZGTJV-CVEARBPZSA-N 2 2 331.464 1.489 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000548825854 306139154 /nfs/dbraw/zinc/13/91/54/306139154.db2.gz CXJABAQHCDWGHJ-MJGOQNOKSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000548825854 306139155 /nfs/dbraw/zinc/13/91/55/306139155.db2.gz CXJABAQHCDWGHJ-MJGOQNOKSA-N 2 2 345.487 1.826 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000551245176 306156802 /nfs/dbraw/zinc/15/68/02/306156802.db2.gz ARISPCXZGFFTMB-KRWDZBQOSA-N 2 2 339.443 1.999 20 0 EDADLP CCNc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000553311764 306183883 /nfs/dbraw/zinc/18/38/83/306183883.db2.gz KKQJDOYNODJWSS-GFCCVEGCSA-N 2 2 333.484 1.254 20 0 EDADLP CCNc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000553311764 306183884 /nfs/dbraw/zinc/18/38/84/306183884.db2.gz KKQJDOYNODJWSS-GFCCVEGCSA-N 2 2 333.484 1.254 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000553311764 306183885 /nfs/dbraw/zinc/18/38/85/306183885.db2.gz KKQJDOYNODJWSS-GFCCVEGCSA-N 2 2 333.484 1.254 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000553311764 306183886 /nfs/dbraw/zinc/18/38/86/306183886.db2.gz KKQJDOYNODJWSS-GFCCVEGCSA-N 2 2 333.484 1.254 20 0 EDADLP CCNc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]c(NC(C)(C)C)n1 ZINC000553311764 306183887 /nfs/dbraw/zinc/18/38/87/306183887.db2.gz KKQJDOYNODJWSS-GFCCVEGCSA-N 2 2 333.484 1.254 20 0 EDADLP CCNc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]c(NC(C)(C)C)n1 ZINC000553311764 306183888 /nfs/dbraw/zinc/18/38/88/306183888.db2.gz KKQJDOYNODJWSS-GFCCVEGCSA-N 2 2 333.484 1.254 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000557183216 306225774 /nfs/dbraw/zinc/22/57/74/306225774.db2.gz ZSHWANSOOOUDTK-OWCLPIDISA-N 2 2 331.464 1.756 20 0 EDADLP C[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1=O ZINC000425969151 447369458 /nfs/dbraw/zinc/36/94/58/447369458.db2.gz XMGWSBVVAHKLBW-ICSRJNTNSA-N 2 2 343.471 1.319 20 0 EDADLP C[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1=O ZINC000425969151 447369465 /nfs/dbraw/zinc/36/94/65/447369465.db2.gz XMGWSBVVAHKLBW-ICSRJNTNSA-N 2 2 343.471 1.319 20 0 EDADLP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1=O ZINC000425969151 447369468 /nfs/dbraw/zinc/36/94/68/447369468.db2.gz XMGWSBVVAHKLBW-ICSRJNTNSA-N 2 2 343.471 1.319 20 0 EDADLP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1=O ZINC000425969151 447369473 /nfs/dbraw/zinc/36/94/73/447369473.db2.gz XMGWSBVVAHKLBW-ICSRJNTNSA-N 2 2 343.471 1.319 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)Nc1ccn2cc[nH+]c2c1 ZINC000377816432 447371510 /nfs/dbraw/zinc/37/15/10/447371510.db2.gz GUGZEXUEEXVTMG-LSDHHAIUSA-N 2 2 329.404 1.709 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)Nc1ccn2cc[nH+]c2c1 ZINC000377816432 447371512 /nfs/dbraw/zinc/37/15/12/447371512.db2.gz GUGZEXUEEXVTMG-LSDHHAIUSA-N 2 2 329.404 1.709 20 0 EDADLP COc1sc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1Br ZINC000414965119 447376737 /nfs/dbraw/zinc/37/67/37/447376737.db2.gz NBODGIKGVHGCMB-VIFPVBQESA-N 2 2 334.283 1.512 20 0 EDADLP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000377845723 447378222 /nfs/dbraw/zinc/37/82/22/447378222.db2.gz VBGVSLHSOGUYHA-SFHVURJKSA-N 2 2 330.476 1.894 20 0 EDADLP CC1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000377845723 447378228 /nfs/dbraw/zinc/37/82/28/447378228.db2.gz VBGVSLHSOGUYHA-SFHVURJKSA-N 2 2 330.476 1.894 20 0 EDADLP CN(c1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCN1C)C1CC[NH+](C)CC1 ZINC000414971227 447380770 /nfs/dbraw/zinc/38/07/70/447380770.db2.gz ICDFYIYZRRNFNT-IBGZPJMESA-N 3 2 345.535 1.210 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665293716 453640740 /nfs/dbraw/zinc/64/07/40/453640740.db2.gz BHQFAMWSMHEOLZ-UONOGXRCSA-N 2 2 327.494 1.976 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C[NH+](C)C ZINC000458504982 447392019 /nfs/dbraw/zinc/39/20/19/447392019.db2.gz FSNIYADAJFVTHZ-KFWWJZLASA-N 2 2 326.485 1.125 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C[NH+](C)C ZINC000458504982 447392023 /nfs/dbraw/zinc/39/20/23/447392023.db2.gz FSNIYADAJFVTHZ-KFWWJZLASA-N 2 2 326.485 1.125 20 0 EDADLP Nc1nc(-n2cccn2)cc(NCc2cccnc2-n2cc[nH+]c2)[nH+]1 ZINC000378006503 447396179 /nfs/dbraw/zinc/39/61/79/447396179.db2.gz OGBHKSVJHIWVJA-UHFFFAOYSA-N 2 2 333.359 1.437 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415221035 447400712 /nfs/dbraw/zinc/40/07/12/447400712.db2.gz XXCSCCFQBLKTQC-UHFFFAOYSA-N 2 2 333.436 1.327 20 0 EDADLP Cc1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc(C)[nH+]1 ZINC000422205248 447401891 /nfs/dbraw/zinc/40/18/91/447401891.db2.gz JVJXVZQQYQCGOU-HNNXBMFYSA-N 2 2 334.464 1.685 20 0 EDADLP Cc1cc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc(C)[nH+]1 ZINC000422205248 447401898 /nfs/dbraw/zinc/40/18/98/447401898.db2.gz JVJXVZQQYQCGOU-HNNXBMFYSA-N 2 2 334.464 1.685 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426230214 447402448 /nfs/dbraw/zinc/40/24/48/447402448.db2.gz KQGDVZSKGOMRRD-GVDBMIGSSA-N 2 2 346.475 1.354 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426230214 447402454 /nfs/dbraw/zinc/40/24/54/447402454.db2.gz KQGDVZSKGOMRRD-GVDBMIGSSA-N 2 2 346.475 1.354 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2c(Cl)nc3sccn23)[C@@H](C[NH3+])C1 ZINC000493835994 447406540 /nfs/dbraw/zinc/40/65/40/447406540.db2.gz LBOPZJQEYSGJJQ-ZMWSMAPVSA-N 2 2 339.852 1.164 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415421418 447420047 /nfs/dbraw/zinc/42/00/47/447420047.db2.gz XUCUIXPGBNLHFG-ZDUSSCGKSA-N 2 2 342.399 1.784 20 0 EDADLP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000045545022 440999991 /nfs/dbraw/zinc/99/99/91/440999991.db2.gz AWNUWXYEXJVPES-UHFFFAOYSA-N 2 2 348.491 1.660 20 0 EDADLP Cc1[nH]nc2ncc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc12 ZINC000102792480 441171319 /nfs/dbraw/zinc/17/13/19/441171319.db2.gz GSLLSJIIWKZGTC-UHFFFAOYSA-N 2 2 344.463 1.364 20 0 EDADLP Cc1[nH]nc2ncc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc12 ZINC000102792480 441171321 /nfs/dbraw/zinc/17/13/21/441171321.db2.gz GSLLSJIIWKZGTC-UHFFFAOYSA-N 2 2 344.463 1.364 20 0 EDADLP CN(C[C@H]1CCCO1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000102905279 441173249 /nfs/dbraw/zinc/17/32/49/441173249.db2.gz SOXIGVKHPXPMJW-QGZVFWFLSA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000105175407 441240776 /nfs/dbraw/zinc/24/07/76/441240776.db2.gz QXQDEGSOMABRMA-KRWDZBQOSA-N 2 2 344.503 1.994 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1Cc2ccccc21 ZINC000105175407 441240781 /nfs/dbraw/zinc/24/07/81/441240781.db2.gz QXQDEGSOMABRMA-KRWDZBQOSA-N 2 2 344.503 1.994 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104717130 441200214 /nfs/dbraw/zinc/20/02/14/441200214.db2.gz JHFNQQNVGBNSNS-LSDHHAIUSA-N 2 2 334.464 1.906 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CCn3c(C)csc3=O)CC2)c1 ZINC000104718636 441201719 /nfs/dbraw/zinc/20/17/19/441201719.db2.gz CIAMXQNUIZIOES-UHFFFAOYSA-N 2 2 334.445 1.444 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)nnn2C ZINC000105321525 441251593 /nfs/dbraw/zinc/25/15/93/441251593.db2.gz DHRQJRWUZLBOPP-UHFFFAOYSA-N 2 2 344.463 1.066 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)nnn2C ZINC000105321525 441251594 /nfs/dbraw/zinc/25/15/94/441251594.db2.gz DHRQJRWUZLBOPP-UHFFFAOYSA-N 2 2 344.463 1.066 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cn1 ZINC000072720185 441254547 /nfs/dbraw/zinc/25/45/47/441254547.db2.gz SFIZBIUAVBUDFG-AEFFLSMTSA-N 2 2 345.491 1.723 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cn1 ZINC000072720185 441254550 /nfs/dbraw/zinc/25/45/50/441254550.db2.gz SFIZBIUAVBUDFG-AEFFLSMTSA-N 2 2 345.491 1.723 20 0 EDADLP CCCC[N@H+](CCO)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000072950756 441277858 /nfs/dbraw/zinc/27/78/58/441277858.db2.gz CFCXKWDUQVWMRM-SFHVURJKSA-N 2 2 347.503 1.986 20 0 EDADLP CCCC[N@@H+](CCO)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000072950756 441277861 /nfs/dbraw/zinc/27/78/61/441277861.db2.gz CFCXKWDUQVWMRM-SFHVURJKSA-N 2 2 347.503 1.986 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965335 441279196 /nfs/dbraw/zinc/27/91/96/441279196.db2.gz VMNUKQTWWYSHKY-HOTGVXAUSA-N 2 2 331.526 1.512 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965335 441279199 /nfs/dbraw/zinc/27/91/99/441279199.db2.gz VMNUKQTWWYSHKY-HOTGVXAUSA-N 2 2 331.526 1.512 20 0 EDADLP CCS(=O)(=O)NCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965335 441279201 /nfs/dbraw/zinc/27/92/01/441279201.db2.gz VMNUKQTWWYSHKY-HOTGVXAUSA-N 2 2 331.526 1.512 20 0 EDADLP CCS(=O)(=O)NCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965335 441279204 /nfs/dbraw/zinc/27/92/04/441279204.db2.gz VMNUKQTWWYSHKY-HOTGVXAUSA-N 2 2 331.526 1.512 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000052856267 441481511 /nfs/dbraw/zinc/48/15/11/441481511.db2.gz UEEQJDYWSVYNMC-HDICACEKSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000052856267 441481515 /nfs/dbraw/zinc/48/15/15/441481515.db2.gz UEEQJDYWSVYNMC-HDICACEKSA-N 2 2 345.487 1.748 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2c(F)cccc2F)CC1 ZINC000087455051 441491641 /nfs/dbraw/zinc/49/16/41/441491641.db2.gz SUOAZYDFOOMDGB-UHFFFAOYSA-N 2 2 325.403 1.650 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000053524335 441528506 /nfs/dbraw/zinc/52/85/06/441528506.db2.gz TYBCJWXPORSHBD-HNNXBMFYSA-N 2 2 343.431 1.809 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)C(=O)N1CCCCC1 ZINC000109795743 441507461 /nfs/dbraw/zinc/50/74/61/441507461.db2.gz VISRXPFWNJAOTC-HNNXBMFYSA-N 2 2 347.463 1.037 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000090016433 441614845 /nfs/dbraw/zinc/61/48/45/441614845.db2.gz IYRVQDMIPCFAJZ-BZUAXINKSA-N 2 2 332.510 1.290 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000090016433 441614847 /nfs/dbraw/zinc/61/48/47/441614847.db2.gz IYRVQDMIPCFAJZ-BZUAXINKSA-N 2 2 332.510 1.290 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000090183773 441625747 /nfs/dbraw/zinc/62/57/47/441625747.db2.gz XZDSLKVVIJLYCA-PMPSAXMXSA-N 2 2 344.521 1.290 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000090183773 441625750 /nfs/dbraw/zinc/62/57/50/441625750.db2.gz XZDSLKVVIJLYCA-PMPSAXMXSA-N 2 2 344.521 1.290 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200138 441642223 /nfs/dbraw/zinc/64/22/23/441642223.db2.gz BNCICTOFTZXKMA-GOEBONIOSA-N 2 2 332.448 1.284 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200138 441642227 /nfs/dbraw/zinc/64/22/27/441642227.db2.gz BNCICTOFTZXKMA-GOEBONIOSA-N 2 2 332.448 1.284 20 0 EDADLP O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000090768725 441643221 /nfs/dbraw/zinc/64/32/21/441643221.db2.gz YDSVWAUGJDSBGY-MGPQQGTHSA-N 2 2 344.502 1.099 20 0 EDADLP O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000090768725 441643224 /nfs/dbraw/zinc/64/32/24/441643224.db2.gz YDSVWAUGJDSBGY-MGPQQGTHSA-N 2 2 344.502 1.099 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000090917236 441645699 /nfs/dbraw/zinc/64/56/99/441645699.db2.gz UYSCKINUPVLFAA-QGTPRVQTSA-N 2 2 342.447 1.566 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000090917236 441645703 /nfs/dbraw/zinc/64/57/03/441645703.db2.gz UYSCKINUPVLFAA-QGTPRVQTSA-N 2 2 342.447 1.566 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](C[NH+](C)C)C3)c2cc1C ZINC000113513426 441613036 /nfs/dbraw/zinc/61/30/36/441613036.db2.gz YPCGIEMWRVFKBW-IAGOWNOFSA-N 3 2 330.476 1.898 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](C[NH+](C)C)C3)c2cc1C ZINC000113513426 441613042 /nfs/dbraw/zinc/61/30/42/441613042.db2.gz YPCGIEMWRVFKBW-IAGOWNOFSA-N 3 2 330.476 1.898 20 0 EDADLP CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000114819693 441686757 /nfs/dbraw/zinc/68/67/57/441686757.db2.gz OCYSPFIDCSBDMT-INIZCTEOSA-N 2 2 345.491 1.954 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)o1 ZINC000041796754 441674365 /nfs/dbraw/zinc/67/43/65/441674365.db2.gz NFAMFEUKOOSAEZ-UHFFFAOYSA-N 2 2 337.464 1.962 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC000077249597 441742775 /nfs/dbraw/zinc/74/27/75/441742775.db2.gz FDDPZSFFUFGZNE-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC000077249597 441742779 /nfs/dbraw/zinc/74/27/79/441742779.db2.gz FDDPZSFFUFGZNE-UHFFFAOYSA-N 2 2 339.480 1.204 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000121712347 441763487 /nfs/dbraw/zinc/76/34/87/441763487.db2.gz GRQHHLYWGXIPQZ-UHFFFAOYSA-N 2 2 336.436 1.609 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000116412969 441819289 /nfs/dbraw/zinc/81/92/89/441819289.db2.gz XJFYTPJUHLOGTD-HNNXBMFYSA-N 2 2 342.528 1.763 20 0 EDADLP CC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000121866385 441798118 /nfs/dbraw/zinc/79/81/18/441798118.db2.gz LSLNDFIXDGHXMB-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NCCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000068515351 441812263 /nfs/dbraw/zinc/81/22/63/441812263.db2.gz BEAMMNRSNBCJTJ-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NCCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000068515351 441812264 /nfs/dbraw/zinc/81/22/64/441812264.db2.gz BEAMMNRSNBCJTJ-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP CCCC[N@H+](CCOC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000068851731 441860591 /nfs/dbraw/zinc/86/05/91/441860591.db2.gz AIKZABQPRPWIPN-UHFFFAOYSA-N 2 2 348.491 1.869 20 0 EDADLP CCCC[N@@H+](CCOC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000068851731 441860595 /nfs/dbraw/zinc/86/05/95/441860595.db2.gz AIKZABQPRPWIPN-UHFFFAOYSA-N 2 2 348.491 1.869 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCCCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000068937230 441872009 /nfs/dbraw/zinc/87/20/09/441872009.db2.gz LUSOJKSWHDRVCS-ZACQAIPSSA-N 2 2 325.497 1.722 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000043312075 441833122 /nfs/dbraw/zinc/83/31/22/441833122.db2.gz HIGZKCFYWLFUGI-UHFFFAOYSA-N 2 2 343.431 1.215 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000174112456 441888667 /nfs/dbraw/zinc/88/86/67/441888667.db2.gz GJDACIYGGROWKE-IAGOWNOFSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@H]1SCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000118416343 441895817 /nfs/dbraw/zinc/89/58/17/441895817.db2.gz YCOFMSOOLZTEQD-JKSUJKDBSA-N 2 2 348.516 1.946 20 0 EDADLP C[C@H]1SCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000118416343 441895820 /nfs/dbraw/zinc/89/58/20/441895820.db2.gz YCOFMSOOLZTEQD-JKSUJKDBSA-N 2 2 348.516 1.946 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150764417 441945908 /nfs/dbraw/zinc/94/59/08/441945908.db2.gz NQRYGBDZKWCZGQ-KRWDZBQOSA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150764417 441945916 /nfs/dbraw/zinc/94/59/16/441945916.db2.gz NQRYGBDZKWCZGQ-KRWDZBQOSA-N 2 2 331.460 1.729 20 0 EDADLP Cc1csc2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)n12 ZINC000150858118 441963090 /nfs/dbraw/zinc/96/30/90/441963090.db2.gz GHCRMJAUFSGFQG-CQSZACIVSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)n12 ZINC000150858118 441963094 /nfs/dbraw/zinc/96/30/94/441963094.db2.gz GHCRMJAUFSGFQG-CQSZACIVSA-N 2 2 332.473 1.982 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174889833 441980182 /nfs/dbraw/zinc/98/01/82/441980182.db2.gz HUJHASQNVRHNAF-MSOLQXFVSA-N 2 2 338.540 1.639 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000174941254 441986942 /nfs/dbraw/zinc/98/69/42/441986942.db2.gz AUOJZWNSGUMSFK-QGZVFWFLSA-N 2 2 346.475 1.676 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000174941254 441986946 /nfs/dbraw/zinc/98/69/46/441986946.db2.gz AUOJZWNSGUMSFK-QGZVFWFLSA-N 2 2 346.475 1.676 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000174941254 441986953 /nfs/dbraw/zinc/98/69/53/441986953.db2.gz AUOJZWNSGUMSFK-QGZVFWFLSA-N 2 2 346.475 1.676 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000174941254 441986957 /nfs/dbraw/zinc/98/69/57/441986957.db2.gz AUOJZWNSGUMSFK-QGZVFWFLSA-N 2 2 346.475 1.676 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000079059355 442013678 /nfs/dbraw/zinc/01/36/78/442013678.db2.gz FDSPDIRNEQATSV-UHFFFAOYSA-N 2 2 342.447 1.751 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161898719 442041966 /nfs/dbraw/zinc/04/19/66/442041966.db2.gz GAQRFQNFAVQPHC-INIZCTEOSA-N 3 2 335.496 1.178 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000079440562 442047905 /nfs/dbraw/zinc/04/79/05/442047905.db2.gz TZOHGFBJQKBEEX-HZPDHXFCSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000079440562 442047907 /nfs/dbraw/zinc/04/79/07/442047907.db2.gz TZOHGFBJQKBEEX-HZPDHXFCSA-N 2 2 346.475 1.618 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[NH+](C)CC3)c2C1 ZINC000161964504 442050236 /nfs/dbraw/zinc/05/02/36/442050236.db2.gz BSTCOVZIFDKOOI-UHFFFAOYSA-N 2 2 344.459 1.515 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[NH+](C)CC3)c2C1 ZINC000161964504 442050245 /nfs/dbraw/zinc/05/02/45/442050245.db2.gz BSTCOVZIFDKOOI-UHFFFAOYSA-N 2 2 344.459 1.515 20 0 EDADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)c2C1 ZINC000161964504 442050251 /nfs/dbraw/zinc/05/02/51/442050251.db2.gz BSTCOVZIFDKOOI-UHFFFAOYSA-N 2 2 344.459 1.515 20 0 EDADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)c2C1 ZINC000161964504 442050257 /nfs/dbraw/zinc/05/02/57/442050257.db2.gz BSTCOVZIFDKOOI-UHFFFAOYSA-N 2 2 344.459 1.515 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C[NH+]1CCCC1 ZINC000080050061 442110106 /nfs/dbraw/zinc/11/01/06/442110106.db2.gz YZECVNVVQMWMMT-KRWDZBQOSA-N 2 2 345.491 1.641 20 0 EDADLP CC(C)OC[C@H](O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784214 442121124 /nfs/dbraw/zinc/12/11/24/442121124.db2.gz LMIXRVJDUQWNAC-LJQANCHMSA-N 2 2 335.492 1.806 20 0 EDADLP CC(C)OC[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784214 442121126 /nfs/dbraw/zinc/12/11/26/442121126.db2.gz LMIXRVJDUQWNAC-LJQANCHMSA-N 2 2 335.492 1.806 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000175783678 442121575 /nfs/dbraw/zinc/12/15/75/442121575.db2.gz HITLIFJPARHKOO-UHFFFAOYSA-N 2 2 333.480 1.641 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000175783678 442121580 /nfs/dbraw/zinc/12/15/80/442121580.db2.gz HITLIFJPARHKOO-UHFFFAOYSA-N 2 2 333.480 1.641 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccccc1O ZINC000151669317 442104570 /nfs/dbraw/zinc/10/45/70/442104570.db2.gz RZSCBZOKPZLYIK-UHFFFAOYSA-N 2 2 335.448 1.255 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccccc1O ZINC000151669317 442104575 /nfs/dbraw/zinc/10/45/75/442104575.db2.gz RZSCBZOKPZLYIK-UHFFFAOYSA-N 2 2 335.448 1.255 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)cc1F ZINC000079997554 442105682 /nfs/dbraw/zinc/10/56/82/442105682.db2.gz HSTATHOPMLGOEU-SJKOYZFVSA-N 2 2 346.406 1.828 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000079997554 442105684 /nfs/dbraw/zinc/10/56/84/442105684.db2.gz HSTATHOPMLGOEU-SJKOYZFVSA-N 2 2 346.406 1.828 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000121242800 442195809 /nfs/dbraw/zinc/19/58/09/442195809.db2.gz LBVPYFACBCXSSB-HNNXBMFYSA-N 2 2 342.443 1.781 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000121242800 442195812 /nfs/dbraw/zinc/19/58/12/442195812.db2.gz LBVPYFACBCXSSB-HNNXBMFYSA-N 2 2 342.443 1.781 20 0 EDADLP COCC[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000165026417 442206083 /nfs/dbraw/zinc/20/60/83/442206083.db2.gz FVJLJSFODHONLI-MRXNPFEDSA-N 2 2 347.463 1.024 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)s1 ZINC000167354674 442220273 /nfs/dbraw/zinc/22/02/73/442220273.db2.gz MFXXQMFFGVQFLM-AWEZNQCLSA-N 2 2 325.503 1.617 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000176610120 442240011 /nfs/dbraw/zinc/24/00/11/442240011.db2.gz ASPAPFKIXYHTTA-ROUUACIJSA-N 2 2 345.491 1.782 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000128560390 442274461 /nfs/dbraw/zinc/27/44/61/442274461.db2.gz QLWCVGDCISBJKS-GDBMZVCRSA-N 2 2 341.415 1.489 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000128560390 442274465 /nfs/dbraw/zinc/27/44/65/442274465.db2.gz QLWCVGDCISBJKS-GDBMZVCRSA-N 2 2 341.415 1.489 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000128651775 442280217 /nfs/dbraw/zinc/28/02/17/442280217.db2.gz RDANIYHFQJIWEP-IRXDYDNUSA-N 3 2 345.491 1.193 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000128651775 442280220 /nfs/dbraw/zinc/28/02/20/442280220.db2.gz RDANIYHFQJIWEP-IRXDYDNUSA-N 3 2 345.491 1.193 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccco1 ZINC000171003098 442297348 /nfs/dbraw/zinc/29/73/48/442297348.db2.gz SHWPNCBRCUYBIS-AWEZNQCLSA-N 2 2 338.452 1.292 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccco1 ZINC000171003098 442297350 /nfs/dbraw/zinc/29/73/50/442297350.db2.gz SHWPNCBRCUYBIS-AWEZNQCLSA-N 2 2 338.452 1.292 20 0 EDADLP C[C@H]1c2ccccc2O[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177116407 442299349 /nfs/dbraw/zinc/29/93/49/442299349.db2.gz VDAXXPAWBQHOFI-KBXCAEBGSA-N 2 2 331.460 1.693 20 0 EDADLP CCC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000154263191 442329030 /nfs/dbraw/zinc/32/90/30/442329030.db2.gz SQPLRJJLSPLRRQ-HNNXBMFYSA-N 2 2 336.455 1.452 20 0 EDADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377301 442334148 /nfs/dbraw/zinc/33/41/48/442334148.db2.gz YYMZXAONROKJFI-INIZCTEOSA-N 2 2 338.540 1.782 20 0 EDADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377301 442334151 /nfs/dbraw/zinc/33/41/51/442334151.db2.gz YYMZXAONROKJFI-INIZCTEOSA-N 2 2 338.540 1.782 20 0 EDADLP C[C@@H](C(=O)NC1CCCCC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377301 442334154 /nfs/dbraw/zinc/33/41/54/442334154.db2.gz YYMZXAONROKJFI-INIZCTEOSA-N 2 2 338.540 1.782 20 0 EDADLP C[C@@H](C(=O)NC1CCCCC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377301 442334157 /nfs/dbraw/zinc/33/41/57/442334157.db2.gz YYMZXAONROKJFI-INIZCTEOSA-N 2 2 338.540 1.782 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000177378605 442334280 /nfs/dbraw/zinc/33/42/80/442334280.db2.gz OMBDDONMWOTHAI-KRWDZBQOSA-N 2 2 336.455 1.310 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000177378605 442334282 /nfs/dbraw/zinc/33/42/82/442334282.db2.gz OMBDDONMWOTHAI-KRWDZBQOSA-N 2 2 336.455 1.310 20 0 EDADLP CSCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154455364 442340398 /nfs/dbraw/zinc/34/03/98/442340398.db2.gz BYOMKEAINBMVFZ-XYPWUTKMSA-N 2 2 325.522 1.899 20 0 EDADLP CSCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154455364 442340401 /nfs/dbraw/zinc/34/04/01/442340401.db2.gz BYOMKEAINBMVFZ-XYPWUTKMSA-N 2 2 325.522 1.899 20 0 EDADLP COc1ccc([C@H](NC(=O)C[C@H]2CC[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000130345809 442344640 /nfs/dbraw/zinc/34/46/40/442344640.db2.gz ATAMSWPLJOFJJI-DYVFJYSZSA-N 2 2 328.416 1.634 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000153961834 442313257 /nfs/dbraw/zinc/31/32/57/442313257.db2.gz VQJCQQKDZFCYMQ-HOTGVXAUSA-N 2 2 337.468 1.444 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000153961834 442313261 /nfs/dbraw/zinc/31/32/61/442313261.db2.gz VQJCQQKDZFCYMQ-HOTGVXAUSA-N 2 2 337.468 1.444 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153971748 442314113 /nfs/dbraw/zinc/31/41/13/442314113.db2.gz QIZSNBNIDFOYEU-ULQDDVLXSA-N 2 2 338.540 1.780 20 0 EDADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154756981 442355621 /nfs/dbraw/zinc/35/56/21/442355621.db2.gz ODNQVVWGSOFGSP-MRXNPFEDSA-N 2 2 338.496 1.666 20 0 EDADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154756981 442355626 /nfs/dbraw/zinc/35/56/26/442355626.db2.gz ODNQVVWGSOFGSP-MRXNPFEDSA-N 2 2 338.496 1.666 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000172289673 442435871 /nfs/dbraw/zinc/43/58/71/442435871.db2.gz HXYPTIKLBTXTQO-UHFFFAOYSA-N 2 2 327.472 1.915 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172543079 442486126 /nfs/dbraw/zinc/48/61/26/442486126.db2.gz QMCUMRYOHGHGJZ-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172543079 442486131 /nfs/dbraw/zinc/48/61/31/442486131.db2.gz QMCUMRYOHGHGJZ-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCOCC1 ZINC000179839738 442510514 /nfs/dbraw/zinc/51/05/14/442510514.db2.gz QRFVSDZQGHFCQJ-OAHLLOKOSA-N 2 2 335.448 1.329 20 0 EDADLP C[C@H]([NH3+])C1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)CC1 ZINC000178852020 442502602 /nfs/dbraw/zinc/50/26/02/442502602.db2.gz YRJPIJOMADXQPL-LPHOPBHVSA-N 2 2 344.503 1.561 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000172460421 442466887 /nfs/dbraw/zinc/46/68/87/442466887.db2.gz XXAVLJZMAPEDNL-AWEZNQCLSA-N 2 2 330.432 1.429 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC1CCOCC1 ZINC000179625088 442482853 /nfs/dbraw/zinc/48/28/53/442482853.db2.gz FKMGFXNYUIKSIA-INIZCTEOSA-N 2 2 346.475 1.477 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC1CCOCC1 ZINC000179625088 442482858 /nfs/dbraw/zinc/48/28/58/442482858.db2.gz FKMGFXNYUIKSIA-INIZCTEOSA-N 2 2 346.475 1.477 20 0 EDADLP COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000172752774 442534245 /nfs/dbraw/zinc/53/42/45/442534245.db2.gz FSCFNOACKLDXDX-UHFFFAOYSA-N 2 2 347.463 1.165 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000157169403 442557229 /nfs/dbraw/zinc/55/72/29/442557229.db2.gz CALKNOKEZNGFJU-CVEARBPZSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000157169403 442557232 /nfs/dbraw/zinc/55/72/32/442557232.db2.gz CALKNOKEZNGFJU-CVEARBPZSA-N 2 2 325.416 1.824 20 0 EDADLP Cc1cc(C)c(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)c1 ZINC000172696990 442522896 /nfs/dbraw/zinc/52/28/96/442522896.db2.gz NZALUEZDLMHERS-GOSISDBHSA-N 2 2 345.487 1.635 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000186708653 442597231 /nfs/dbraw/zinc/59/72/31/442597231.db2.gz LIJUKMNKBMLADY-HNAYVOBHSA-N 2 2 346.475 1.699 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000179211008 442598251 /nfs/dbraw/zinc/59/82/51/442598251.db2.gz SZXYMMLRFXQOHT-UHFFFAOYSA-N 2 2 333.476 1.819 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)nc2)CC1 ZINC000135969142 442643176 /nfs/dbraw/zinc/64/31/76/442643176.db2.gz QLKVNRYDROHIGZ-AWEZNQCLSA-N 2 2 340.431 1.231 20 0 EDADLP CCC[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1CCOC ZINC000179316826 442619308 /nfs/dbraw/zinc/61/93/08/442619308.db2.gz BFSXMEXIYQRELE-MRXNPFEDSA-N 2 2 330.432 1.907 20 0 EDADLP CCC[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1CCOC ZINC000179316826 442619313 /nfs/dbraw/zinc/61/93/13/442619313.db2.gz BFSXMEXIYQRELE-MRXNPFEDSA-N 2 2 330.432 1.907 20 0 EDADLP Cn1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nnc1C1CCC1 ZINC000181105505 442680613 /nfs/dbraw/zinc/68/06/13/442680613.db2.gz DYXKAEYNUGGUIT-UHFFFAOYSA-N 2 2 333.480 1.627 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181104541 442680714 /nfs/dbraw/zinc/68/07/14/442680714.db2.gz WLOUZIMEZQGJFQ-UHFFFAOYSA-N 2 2 330.432 1.573 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181104541 442680715 /nfs/dbraw/zinc/68/07/15/442680715.db2.gz WLOUZIMEZQGJFQ-UHFFFAOYSA-N 2 2 330.432 1.573 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181522418 442701950 /nfs/dbraw/zinc/70/19/50/442701950.db2.gz RAGXYJBXOSJPRC-UHFFFAOYSA-N 2 2 346.523 1.948 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181522418 442701951 /nfs/dbraw/zinc/70/19/51/442701951.db2.gz RAGXYJBXOSJPRC-UHFFFAOYSA-N 2 2 346.523 1.948 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000192617907 442668721 /nfs/dbraw/zinc/66/87/21/442668721.db2.gz KDDWVCYZCZKLSB-HNNXBMFYSA-N 2 2 347.459 1.458 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000192617907 442668724 /nfs/dbraw/zinc/66/87/24/442668724.db2.gz KDDWVCYZCZKLSB-HNNXBMFYSA-N 2 2 347.459 1.458 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188183272 442721835 /nfs/dbraw/zinc/72/18/35/442721835.db2.gz UWGUMXNPSXHSLD-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188183272 442721838 /nfs/dbraw/zinc/72/18/38/442721838.db2.gz UWGUMXNPSXHSLD-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)[C@@H](C)C1 ZINC000182103802 442736123 /nfs/dbraw/zinc/73/61/23/442736123.db2.gz WDZJFYWGZVZCJS-AWEZNQCLSA-N 2 2 335.448 1.776 20 0 EDADLP COC(=O)CC[N@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)[C@@H](C)C1 ZINC000182103802 442736126 /nfs/dbraw/zinc/73/61/26/442736126.db2.gz WDZJFYWGZVZCJS-AWEZNQCLSA-N 2 2 335.448 1.776 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000181654468 442708293 /nfs/dbraw/zinc/70/82/93/442708293.db2.gz VBUBETPSNBRYHT-CVEARBPZSA-N 2 2 339.443 1.865 20 0 EDADLP C[C@H]1CN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1CCO ZINC000188706549 442793332 /nfs/dbraw/zinc/79/33/32/442793332.db2.gz OFMAJJJUAUYECV-RRGWEWPQSA-N 2 2 340.427 1.411 20 0 EDADLP C[C@H]1CN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1CCO ZINC000188706549 442793335 /nfs/dbraw/zinc/79/33/35/442793335.db2.gz OFMAJJJUAUYECV-RRGWEWPQSA-N 2 2 340.427 1.411 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000182355546 442759555 /nfs/dbraw/zinc/75/95/55/442759555.db2.gz AWFLKPAQYWGSET-LSDHHAIUSA-N 2 2 334.445 1.713 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C(=O)NCCn3cc[nH+]c3)cc2)CC1 ZINC000193624525 442760945 /nfs/dbraw/zinc/76/09/45/442760945.db2.gz ADSXKOKMRCAGKY-UHFFFAOYSA-N 2 2 327.432 1.061 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)NCCn3cc[nH+]c3)cc2)CC1 ZINC000193624525 442760946 /nfs/dbraw/zinc/76/09/46/442760946.db2.gz ADSXKOKMRCAGKY-UHFFFAOYSA-N 2 2 327.432 1.061 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246447889 442783315 /nfs/dbraw/zinc/78/33/15/442783315.db2.gz DSBBRMNAEDDEQR-HOCLYGCPSA-N 2 2 336.480 1.417 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246447889 442783322 /nfs/dbraw/zinc/78/33/22/442783322.db2.gz DSBBRMNAEDDEQR-HOCLYGCPSA-N 2 2 336.480 1.417 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246447889 442783326 /nfs/dbraw/zinc/78/33/26/442783326.db2.gz DSBBRMNAEDDEQR-HOCLYGCPSA-N 2 2 336.480 1.417 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)[C@@H](C)[NH+]1CCOCC1 ZINC000182710338 442811324 /nfs/dbraw/zinc/81/13/24/442811324.db2.gz XIEPSBPZLHJHOI-NCOADZHNSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)[C@@H](C)[NH+]1CCOCC1 ZINC000182710338 442811326 /nfs/dbraw/zinc/81/13/26/442811326.db2.gz XIEPSBPZLHJHOI-NCOADZHNSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247541924 442861674 /nfs/dbraw/zinc/86/16/74/442861674.db2.gz KBEODHHRWGLFAT-MCIONIFRSA-N 2 2 335.452 1.779 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247541924 442861678 /nfs/dbraw/zinc/86/16/78/442861678.db2.gz KBEODHHRWGLFAT-MCIONIFRSA-N 2 2 335.452 1.779 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000171081845 318432811 /nfs/dbraw/zinc/43/28/11/318432811.db2.gz CRQMRTYPYJECCC-UHFFFAOYSA-N 2 2 335.477 1.286 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000265728381 442897184 /nfs/dbraw/zinc/89/71/84/442897184.db2.gz POKKXLGXWCWBEG-WMZOPIPTSA-N 2 2 333.476 1.764 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000265728381 442897188 /nfs/dbraw/zinc/89/71/88/442897188.db2.gz POKKXLGXWCWBEG-WMZOPIPTSA-N 2 2 333.476 1.764 20 0 EDADLP O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000183363224 442925022 /nfs/dbraw/zinc/92/50/22/442925022.db2.gz BIWFLAOLOWXBPR-UHFFFAOYSA-N 2 2 342.399 1.963 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000268283412 442931503 /nfs/dbraw/zinc/93/15/03/442931503.db2.gz YMBIXUJEHAPHTG-MAUKXSAKSA-N 2 2 346.475 1.933 20 0 EDADLP CC1(C)CN(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C(=O)O1 ZINC000183518404 442936548 /nfs/dbraw/zinc/93/65/48/442936548.db2.gz JEABSHMHDKCERI-UHFFFAOYSA-N 2 2 339.480 1.999 20 0 EDADLP CC[C@@]1(C)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000248973605 442942091 /nfs/dbraw/zinc/94/20/91/442942091.db2.gz TZMPSZVKWAQALQ-MJGOQNOKSA-N 2 2 333.476 1.906 20 0 EDADLP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000189415317 442946524 /nfs/dbraw/zinc/94/65/24/442946524.db2.gz HQLDCKCMGVCXRA-GFCCVEGCSA-N 2 2 346.340 1.855 20 0 EDADLP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000189415317 442946527 /nfs/dbraw/zinc/94/65/27/442946527.db2.gz HQLDCKCMGVCXRA-GFCCVEGCSA-N 2 2 346.340 1.855 20 0 EDADLP O=C(C[NH2+]C1CC1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000193245082 318583086 /nfs/dbraw/zinc/58/30/86/318583086.db2.gz CPZCCJFEHPDFSU-UHFFFAOYSA-N 2 2 337.851 1.615 20 0 EDADLP CC[NH+](CC)CCC[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000193463226 318583753 /nfs/dbraw/zinc/58/37/53/318583753.db2.gz MEDGKSOZGAYVHZ-UHFFFAOYSA-N 2 2 331.468 1.217 20 0 EDADLP CSC1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000195114060 442983484 /nfs/dbraw/zinc/98/34/84/442983484.db2.gz ARTSXTUWPGFMBF-UHFFFAOYSA-N 2 2 342.553 1.940 20 0 EDADLP CSC1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000195114060 442983491 /nfs/dbraw/zinc/98/34/91/442983491.db2.gz ARTSXTUWPGFMBF-UHFFFAOYSA-N 2 2 342.553 1.940 20 0 EDADLP C[C@H]([C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCOCC1 ZINC000294677342 318617175 /nfs/dbraw/zinc/61/71/75/318617175.db2.gz SXKULTOCPYCSRT-UONOGXRCSA-N 2 2 329.404 1.106 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NC[C@H]3CCC[N@@H+]3C)c[nH+]2)CCO1 ZINC000249940939 443009203 /nfs/dbraw/zinc/00/92/03/443009203.db2.gz VROLRUQEOSWRAX-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NC[C@H]3CCC[N@H+]3C)c[nH+]2)CCO1 ZINC000249940939 443009207 /nfs/dbraw/zinc/00/92/07/443009207.db2.gz VROLRUQEOSWRAX-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP CC[C@@](C)(O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000189744536 443001686 /nfs/dbraw/zinc/00/16/86/443001686.db2.gz OREMSRMNVKURPL-LJQANCHMSA-N 2 2 333.476 1.424 20 0 EDADLP CC[C@@](C)(O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000189744536 443001689 /nfs/dbraw/zinc/00/16/89/443001689.db2.gz OREMSRMNVKURPL-LJQANCHMSA-N 2 2 333.476 1.424 20 0 EDADLP Cc1cccnc1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000297260165 318756218 /nfs/dbraw/zinc/75/62/18/318756218.db2.gz JWUMWLZROLUNPU-UHFFFAOYSA-N 2 2 333.480 1.258 20 0 EDADLP COc1cc2[nH+]c(N(C)CC[N@H+](C)C3CC3)nc(N)c2cc1OC ZINC000184790004 443077181 /nfs/dbraw/zinc/07/71/81/443077181.db2.gz IHGGOCGJTDZDBD-UHFFFAOYSA-N 2 2 331.420 1.760 20 0 EDADLP COc1cc2[nH+]c(N(C)CC[N@@H+](C)C3CC3)nc(N)c2cc1OC ZINC000184790004 443077183 /nfs/dbraw/zinc/07/71/83/443077183.db2.gz IHGGOCGJTDZDBD-UHFFFAOYSA-N 2 2 331.420 1.760 20 0 EDADLP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266336746 443100712 /nfs/dbraw/zinc/10/07/12/443100712.db2.gz WCIXYOYVYCWQTA-GOSISDBHSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266336746 443100716 /nfs/dbraw/zinc/10/07/16/443100716.db2.gz WCIXYOYVYCWQTA-GOSISDBHSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000237336921 443168919 /nfs/dbraw/zinc/16/89/19/443168919.db2.gz DRFGKNBXIDLOGJ-VIFPVBQESA-N 2 2 325.210 1.569 20 0 EDADLP C[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)Cn1cc[nH+]c1 ZINC000237383139 443169872 /nfs/dbraw/zinc/16/98/72/443169872.db2.gz YOISVEOYTHNTTB-MRXNPFEDSA-N 2 2 326.444 1.957 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000185303870 443179765 /nfs/dbraw/zinc/17/97/65/443179765.db2.gz INANFKSARADLML-IAGOWNOFSA-N 2 2 338.496 1.148 20 0 EDADLP COc1cccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000190776486 443181777 /nfs/dbraw/zinc/18/17/77/443181777.db2.gz IZHCBWYAELWGJG-UHFFFAOYSA-N 2 2 327.432 1.527 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC[N@H+]1C ZINC000269055315 443184801 /nfs/dbraw/zinc/18/48/01/443184801.db2.gz SAGYKBCQJZRQQK-GSEOLPGOSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC[NH+]1C ZINC000269055315 443184804 /nfs/dbraw/zinc/18/48/04/443184804.db2.gz SAGYKBCQJZRQQK-GSEOLPGOSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC[NH+]1C ZINC000269055315 443184807 /nfs/dbraw/zinc/18/48/07/443184807.db2.gz SAGYKBCQJZRQQK-GSEOLPGOSA-N 3 2 331.504 1.942 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000237880132 443186007 /nfs/dbraw/zinc/18/60/07/443186007.db2.gz RZFRBDPZDSETNT-MJGOQNOKSA-N 2 2 331.460 1.484 20 0 EDADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268936110 443152172 /nfs/dbraw/zinc/15/21/72/443152172.db2.gz RPDGXEYLDKWRDH-CXAGYDPISA-N 2 2 332.448 1.635 20 0 EDADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000268936110 443152175 /nfs/dbraw/zinc/15/21/75/443152175.db2.gz RPDGXEYLDKWRDH-CXAGYDPISA-N 2 2 332.448 1.635 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000269236049 443244261 /nfs/dbraw/zinc/24/42/61/443244261.db2.gz MTVGLCVCDRQLAN-INIZCTEOSA-N 2 2 332.448 1.457 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CCCn3cc[nH+]c32)C[C@@H](C)O1 ZINC000245416368 443224870 /nfs/dbraw/zinc/22/48/70/443224870.db2.gz HYCWSGPQILZHDG-KFWWJZLASA-N 2 2 334.464 1.765 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332819074 318959611 /nfs/dbraw/zinc/95/96/11/318959611.db2.gz XCZFCHPQNWGZOB-HOCLYGCPSA-N 2 2 331.464 1.988 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000266652044 443198583 /nfs/dbraw/zinc/19/85/83/443198583.db2.gz YRFQZSGBJLNCPX-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000266652044 443198585 /nfs/dbraw/zinc/19/85/85/443198585.db2.gz YRFQZSGBJLNCPX-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000266652044 443198586 /nfs/dbraw/zinc/19/85/86/443198586.db2.gz YRFQZSGBJLNCPX-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000266652044 443198588 /nfs/dbraw/zinc/19/85/88/443198588.db2.gz YRFQZSGBJLNCPX-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360030363 319116410 /nfs/dbraw/zinc/11/64/10/319116410.db2.gz GFEKPHXBSBDESG-UHFFFAOYSA-N 2 2 328.416 1.556 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000411596935 319187486 /nfs/dbraw/zinc/18/74/86/319187486.db2.gz UGIDDOGLKHCAJY-CQSZACIVSA-N 2 2 329.404 1.214 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000411596935 319187489 /nfs/dbraw/zinc/18/74/89/319187489.db2.gz UGIDDOGLKHCAJY-CQSZACIVSA-N 2 2 329.404 1.214 20 0 EDADLP COCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccnc1 ZINC000411618011 319188951 /nfs/dbraw/zinc/18/89/51/319188951.db2.gz VTZKMMMUDPPRIC-UHFFFAOYSA-N 2 2 348.491 1.519 20 0 EDADLP COCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccnc1 ZINC000411618011 319188953 /nfs/dbraw/zinc/18/89/53/319188953.db2.gz VTZKMMMUDPPRIC-UHFFFAOYSA-N 2 2 348.491 1.519 20 0 EDADLP CNc1ccccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000412225801 319227279 /nfs/dbraw/zinc/22/72/79/319227279.db2.gz HKFDOQMYQFJAFT-HNNXBMFYSA-N 2 2 330.476 1.969 20 0 EDADLP CNc1ccccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000412225801 319227281 /nfs/dbraw/zinc/22/72/81/319227281.db2.gz HKFDOQMYQFJAFT-HNNXBMFYSA-N 2 2 330.476 1.969 20 0 EDADLP CO[C@@](C)([C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000413398015 319266448 /nfs/dbraw/zinc/26/64/48/319266448.db2.gz HFGWUSXFSRORTI-KDOFPFPSSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000413968262 319307696 /nfs/dbraw/zinc/30/76/96/319307696.db2.gz SJEXBTFELJWXPG-INIZCTEOSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000413968262 319307697 /nfs/dbraw/zinc/30/76/97/319307697.db2.gz SJEXBTFELJWXPG-INIZCTEOSA-N 2 2 333.476 1.734 20 0 EDADLP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000414454910 319326799 /nfs/dbraw/zinc/32/67/99/319326799.db2.gz RYJXLEFTUAMZMG-MAUKXSAKSA-N 2 2 328.464 1.945 20 0 EDADLP CCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000414454910 319326801 /nfs/dbraw/zinc/32/68/01/319326801.db2.gz RYJXLEFTUAMZMG-MAUKXSAKSA-N 2 2 328.464 1.945 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000245928552 443257432 /nfs/dbraw/zinc/25/74/32/443257432.db2.gz ZOCCAFYMSSVEMB-HOTGVXAUSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](C)C1 ZINC000245928552 443257434 /nfs/dbraw/zinc/25/74/34/443257434.db2.gz ZOCCAFYMSSVEMB-HOTGVXAUSA-N 2 2 339.480 1.347 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000414544709 319329462 /nfs/dbraw/zinc/32/94/62/319329462.db2.gz PPLILZQTVPFARU-QGZVFWFLSA-N 2 2 331.460 1.775 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000414544709 319329466 /nfs/dbraw/zinc/32/94/66/319329466.db2.gz PPLILZQTVPFARU-QGZVFWFLSA-N 2 2 331.460 1.775 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000414670235 319338780 /nfs/dbraw/zinc/33/87/80/319338780.db2.gz LUWXTRMBXZUUMM-IBGZPJMESA-N 2 2 344.503 1.392 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000414670235 319338782 /nfs/dbraw/zinc/33/87/82/319338782.db2.gz LUWXTRMBXZUUMM-IBGZPJMESA-N 2 2 344.503 1.392 20 0 EDADLP COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687877 319342664 /nfs/dbraw/zinc/34/26/64/319342664.db2.gz CPAXWOBWFDDDFZ-WMLDXEAASA-N 2 2 333.432 1.030 20 0 EDADLP COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687877 319342666 /nfs/dbraw/zinc/34/26/66/319342666.db2.gz CPAXWOBWFDDDFZ-WMLDXEAASA-N 2 2 333.432 1.030 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2)C1 ZINC000415087893 319346955 /nfs/dbraw/zinc/34/69/55/319346955.db2.gz LFBWXEUKBMFZGU-ROUUACIJSA-N 3 2 330.476 1.226 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2)C1 ZINC000415087893 319346956 /nfs/dbraw/zinc/34/69/56/319346956.db2.gz LFBWXEUKBMFZGU-ROUUACIJSA-N 3 2 330.476 1.226 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415792973 319370497 /nfs/dbraw/zinc/37/04/97/319370497.db2.gz UKGHILCVEXYFFQ-NSHDSACASA-N 2 2 329.404 1.243 20 0 EDADLP C[C@H]1C[N@H+](CCN2CC[NH+](CCOc3ccccc3)CC2)CCO1 ZINC000191409101 443291216 /nfs/dbraw/zinc/29/12/16/443291216.db2.gz NYLOYAWLBFKMCL-SFHVURJKSA-N 2 2 333.476 1.404 20 0 EDADLP C[C@H]1C[N@@H+](CCN2CC[NH+](CCOc3ccccc3)CC2)CCO1 ZINC000191409101 443291221 /nfs/dbraw/zinc/29/12/21/443291221.db2.gz NYLOYAWLBFKMCL-SFHVURJKSA-N 2 2 333.476 1.404 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000269388805 443301175 /nfs/dbraw/zinc/30/11/75/443301175.db2.gz UWEVHUJOZOHQNN-UHFFFAOYSA-N 2 2 340.431 1.748 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000269388805 443301180 /nfs/dbraw/zinc/30/11/80/443301180.db2.gz UWEVHUJOZOHQNN-UHFFFAOYSA-N 2 2 340.431 1.748 20 0 EDADLP COCC[NH2+]CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416917820 319473968 /nfs/dbraw/zinc/47/39/68/319473968.db2.gz RMPKCCQFPHJQPI-HNNXBMFYSA-N 2 2 349.410 1.184 20 0 EDADLP [NH3+]CC[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000416935248 319478046 /nfs/dbraw/zinc/47/80/46/319478046.db2.gz FYMKPIKAXOIESR-HNNXBMFYSA-N 2 2 331.464 1.952 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000272487681 443336769 /nfs/dbraw/zinc/33/67/69/443336769.db2.gz SRTNFPAQWVPNPN-MRXNPFEDSA-N 2 2 336.505 1.453 20 0 EDADLP Cc1[nH]c(C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c[nH+]1 ZINC000267100327 443341915 /nfs/dbraw/zinc/34/19/15/443341915.db2.gz KPSJNCPTSRTPCX-SFHVURJKSA-N 2 2 342.443 1.894 20 0 EDADLP C[C@H]1OCC[C@@]1(O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000278689507 443403071 /nfs/dbraw/zinc/40/30/71/443403071.db2.gz ITXOFJLFNNMXBJ-BDJLRTHQSA-N 2 2 326.360 1.162 20 0 EDADLP C[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[NH+]1CCSCC1 ZINC000269722578 443411246 /nfs/dbraw/zinc/41/12/46/443411246.db2.gz XWOBFPSJEYFRKG-OCCSQVGLSA-N 2 2 327.519 1.904 20 0 EDADLP COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000267407331 443446288 /nfs/dbraw/zinc/44/62/88/443446288.db2.gz HIYDRWVVJZGKNN-CQSZACIVSA-N 2 2 348.447 1.581 20 0 EDADLP COC(=O)C1(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000267407331 443446292 /nfs/dbraw/zinc/44/62/92/443446292.db2.gz HIYDRWVVJZGKNN-CQSZACIVSA-N 2 2 348.447 1.581 20 0 EDADLP CSc1cc2c(cc1C[NH2+]C[C@](C)(O)C[NH+](C)C)OCCO2 ZINC000269801152 443446847 /nfs/dbraw/zinc/44/68/47/443446847.db2.gz JNLFXHRFERNWNB-INIZCTEOSA-N 2 2 326.462 1.582 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000264889734 443468055 /nfs/dbraw/zinc/46/80/55/443468055.db2.gz SGTVWGAGQFSWIS-UHFFFAOYSA-N 2 2 346.460 1.115 20 0 EDADLP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272856171 443468703 /nfs/dbraw/zinc/46/87/03/443468703.db2.gz TYLRQAXIUNVDRC-VDZJLULYSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272856171 443468709 /nfs/dbraw/zinc/46/87/09/443468709.db2.gz TYLRQAXIUNVDRC-VDZJLULYSA-N 2 2 328.460 1.954 20 0 EDADLP COCCCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423103541 319750458 /nfs/dbraw/zinc/75/04/58/319750458.db2.gz LCEHARPUPFVEMI-RBUKOAKNSA-N 2 2 334.460 1.959 20 0 EDADLP COC(=O)C[C@@H]1CC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@@H]1C ZINC000423224305 319757465 /nfs/dbraw/zinc/75/74/65/319757465.db2.gz BUEVFNPNFLFSDK-IJEWVQPXSA-N 2 2 332.448 1.881 20 0 EDADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423770899 319814018 /nfs/dbraw/zinc/81/40/18/319814018.db2.gz HSDKCVSKKFNQNB-SFHVURJKSA-N 2 2 341.459 1.644 20 0 EDADLP COc1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1NC(C)=O ZINC000425350051 319833092 /nfs/dbraw/zinc/83/30/92/319833092.db2.gz FVFMDEKPFCTBKN-UHFFFAOYSA-N 2 2 331.420 1.743 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000273136399 443546723 /nfs/dbraw/zinc/54/67/23/443546723.db2.gz VWRAVHDJOJKBKX-HNNXBMFYSA-N 2 2 342.443 1.731 20 0 EDADLP CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000275577357 443632672 /nfs/dbraw/zinc/63/26/72/443632672.db2.gz OTVZAFBLHIOCGS-OAHLLOKOSA-N 2 2 338.415 1.728 20 0 EDADLP CNC(=O)c1ccn([C@@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000275577357 443632674 /nfs/dbraw/zinc/63/26/74/443632674.db2.gz OTVZAFBLHIOCGS-OAHLLOKOSA-N 2 2 338.415 1.728 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000276157103 443657347 /nfs/dbraw/zinc/65/73/47/443657347.db2.gz FWAVBNVMQYXSQL-IAGOWNOFSA-N 2 2 326.444 1.735 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000434255928 319994567 /nfs/dbraw/zinc/99/45/67/319994567.db2.gz KAYQODWQMDUFJE-SJORKVTESA-N 2 2 340.512 1.471 20 0 EDADLP CCCCNC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441050501 320086817 /nfs/dbraw/zinc/08/68/17/320086817.db2.gz XXYWLPIWNWINHM-QGZVFWFLSA-N 2 2 338.540 1.782 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000276185994 443664515 /nfs/dbraw/zinc/66/45/15/443664515.db2.gz HXVAKNHPPAYNMX-UHFFFAOYSA-N 2 2 333.480 1.004 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC1 ZINC000445847942 320130854 /nfs/dbraw/zinc/13/08/54/320130854.db2.gz UKYIIWAZNWREEO-UHFFFAOYSA-N 2 2 331.464 1.393 20 0 EDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449392910 320187336 /nfs/dbraw/zinc/18/73/36/320187336.db2.gz AEJDNABXMVRVCG-JSGCOSHPSA-N 2 2 345.285 1.471 20 0 EDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449392910 320187337 /nfs/dbraw/zinc/18/73/37/320187337.db2.gz AEJDNABXMVRVCG-JSGCOSHPSA-N 2 2 345.285 1.471 20 0 EDADLP C[C@@H](CNC(=O)NCc1[nH+]ccn1CCc1ccccc1)[NH+](C)C ZINC000454630016 320292621 /nfs/dbraw/zinc/29/26/21/320292621.db2.gz ZNMJWVHDWWBACS-HNNXBMFYSA-N 2 2 329.448 1.875 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000457455829 320326682 /nfs/dbraw/zinc/32/66/82/320326682.db2.gz MZOZROVREVFHMU-RDJZCZTQSA-N 2 2 334.464 1.137 20 0 EDADLP O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000457624731 320331761 /nfs/dbraw/zinc/33/17/61/320331761.db2.gz RZOUBSPISGEORT-GOSISDBHSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC[C@@H]2CCOC2)CC1 ZINC000458600867 320337865 /nfs/dbraw/zinc/33/78/65/320337865.db2.gz RRJHIPIRLYNDJE-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CN(C[C@@H]1CCOC1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000489403765 320359876 /nfs/dbraw/zinc/35/98/76/320359876.db2.gz ZOGJHZYDLISLRU-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000516190636 320434173 /nfs/dbraw/zinc/43/41/73/320434173.db2.gz BQZLJJNHDFWYKE-CYBMUJFWSA-N 2 2 327.388 1.623 20 0 EDADLP O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000516656725 320440210 /nfs/dbraw/zinc/44/02/10/320440210.db2.gz MDDRHNRKMWDNIO-GOSISDBHSA-N 2 2 329.444 1.156 20 0 EDADLP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000283779890 443716524 /nfs/dbraw/zinc/71/65/24/443716524.db2.gz FDGYZFRHLUKYHD-HNNXBMFYSA-N 2 2 337.468 1.013 20 0 EDADLP CO[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000625520185 450406537 /nfs/dbraw/zinc/40/65/37/450406537.db2.gz UXMUTTGSOIZEKD-FUHWJXTLSA-N 2 2 349.450 1.798 20 0 EDADLP CO[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000625520185 450406538 /nfs/dbraw/zinc/40/65/38/450406538.db2.gz UXMUTTGSOIZEKD-FUHWJXTLSA-N 2 2 349.450 1.798 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000288174843 443794722 /nfs/dbraw/zinc/79/47/22/443794722.db2.gz KXFVABBGZLVESA-INIZCTEOSA-N 2 2 348.447 1.236 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000288174843 443794726 /nfs/dbraw/zinc/79/47/26/443794726.db2.gz KXFVABBGZLVESA-INIZCTEOSA-N 2 2 348.447 1.236 20 0 EDADLP COc1ccc([C@H](NC(=O)Cn2c[nH+]cc2C)c2[nH+]ccn2C)cc1 ZINC000527776223 320525032 /nfs/dbraw/zinc/52/50/32/320525032.db2.gz ZZZGQVKNYREAEM-KRWDZBQOSA-N 2 2 339.399 1.839 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccn(COC)n3)CC2)CC1 ZINC000616381250 450407007 /nfs/dbraw/zinc/40/70/07/450407007.db2.gz MCUNDGOLABWRMM-UHFFFAOYSA-N 2 2 349.479 1.119 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccn(COC)n3)CC2)CC1 ZINC000616381250 450407012 /nfs/dbraw/zinc/40/70/12/450407012.db2.gz MCUNDGOLABWRMM-UHFFFAOYSA-N 2 2 349.479 1.119 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N3CCC[N@H+](C)CC3)c[nH+]2)CCO1 ZINC000298643676 443826852 /nfs/dbraw/zinc/82/68/52/443826852.db2.gz DTOPCDNWAILBMA-HNNXBMFYSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N3CCC[N@@H+](C)CC3)c[nH+]2)CCO1 ZINC000298643676 443826854 /nfs/dbraw/zinc/82/68/54/443826854.db2.gz DTOPCDNWAILBMA-HNNXBMFYSA-N 2 2 347.463 1.154 20 0 EDADLP c1c[nH+]c([C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)c2cccnc2)[nH]1 ZINC000530321161 320620748 /nfs/dbraw/zinc/62/07/48/320620748.db2.gz VFSBGQPSFLEFQA-CRAIPNDOSA-N 2 2 341.459 1.985 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292940797 443883511 /nfs/dbraw/zinc/88/35/11/443883511.db2.gz JVUPYIJDVXDXMI-LIRRHRJNSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292940797 443883516 /nfs/dbraw/zinc/88/35/16/443883516.db2.gz JVUPYIJDVXDXMI-LIRRHRJNSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292940797 443883519 /nfs/dbraw/zinc/88/35/19/443883519.db2.gz JVUPYIJDVXDXMI-LIRRHRJNSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292940797 443883523 /nfs/dbraw/zinc/88/35/23/443883523.db2.gz JVUPYIJDVXDXMI-LIRRHRJNSA-N 2 2 344.459 1.530 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCCN1CC(F)(F)F ZINC000532989897 320680883 /nfs/dbraw/zinc/68/08/83/320680883.db2.gz OZXDZISFRLDILT-NEPJUHHUSA-N 2 2 330.354 1.903 20 0 EDADLP C[C@@H](O)C[C@H]1COCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285116216 443862076 /nfs/dbraw/zinc/86/20/76/443862076.db2.gz AFGLUICTTQICAW-QUCCMNQESA-N 2 2 347.503 1.670 20 0 EDADLP C[C@@H](O)C[C@H]1COCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285116216 443862082 /nfs/dbraw/zinc/86/20/82/443862082.db2.gz AFGLUICTTQICAW-QUCCMNQESA-N 2 2 347.503 1.670 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000277392884 443976324 /nfs/dbraw/zinc/97/63/24/443976324.db2.gz RNHJQKQZQVPVNL-IRXDYDNUSA-N 2 2 333.501 1.814 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000277392884 443976326 /nfs/dbraw/zinc/97/63/26/443976326.db2.gz RNHJQKQZQVPVNL-IRXDYDNUSA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277392884 443976330 /nfs/dbraw/zinc/97/63/30/443976330.db2.gz RNHJQKQZQVPVNL-IRXDYDNUSA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277392884 443976335 /nfs/dbraw/zinc/97/63/35/443976335.db2.gz RNHJQKQZQVPVNL-IRXDYDNUSA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299264231 444000048 /nfs/dbraw/zinc/00/00/48/444000048.db2.gz LORJCHZFPTWDOP-JSGCOSHPSA-N 2 2 329.404 1.262 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000293509775 444038851 /nfs/dbraw/zinc/03/88/51/444038851.db2.gz XBOATMSCUAQEKX-CYBMUJFWSA-N 2 2 346.431 1.362 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000293509775 444038855 /nfs/dbraw/zinc/03/88/55/444038855.db2.gz XBOATMSCUAQEKX-CYBMUJFWSA-N 2 2 346.431 1.362 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2ccco2)C1 ZINC000299405806 444039401 /nfs/dbraw/zinc/03/94/01/444039401.db2.gz XNTJVCYYUQFERY-HZPDHXFCSA-N 2 2 337.464 1.745 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2ccco2)C1 ZINC000299405806 444039403 /nfs/dbraw/zinc/03/94/03/444039403.db2.gz XNTJVCYYUQFERY-HZPDHXFCSA-N 2 2 337.464 1.745 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H](C)c2ccco2)C1 ZINC000299405806 444039404 /nfs/dbraw/zinc/03/94/04/444039404.db2.gz XNTJVCYYUQFERY-HZPDHXFCSA-N 2 2 337.464 1.745 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H](C)c2ccco2)C1 ZINC000299405806 444039405 /nfs/dbraw/zinc/03/94/05/444039405.db2.gz XNTJVCYYUQFERY-HZPDHXFCSA-N 2 2 337.464 1.745 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc(C)c1O ZINC000289083445 444049783 /nfs/dbraw/zinc/04/97/83/444049783.db2.gz BCLPPMMMILWUJN-RHSMWYFYSA-N 2 2 328.416 1.852 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299544899 444074914 /nfs/dbraw/zinc/07/49/14/444074914.db2.gz BVJMBYCUOOZONP-KRWDZBQOSA-N 2 2 328.416 1.290 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299544899 444074920 /nfs/dbraw/zinc/07/49/20/444074920.db2.gz BVJMBYCUOOZONP-KRWDZBQOSA-N 2 2 328.416 1.290 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285658636 444063249 /nfs/dbraw/zinc/06/32/49/444063249.db2.gz GJDNDZMCKRMAFX-SJORKVTESA-N 2 2 328.416 1.276 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285658636 444063254 /nfs/dbraw/zinc/06/32/54/444063254.db2.gz GJDNDZMCKRMAFX-SJORKVTESA-N 2 2 328.416 1.276 20 0 EDADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000557120196 321000219 /nfs/dbraw/zinc/00/02/19/321000219.db2.gz ISTOVRXREQZDAI-HUUCEWRRSA-N 2 2 348.447 1.193 20 0 EDADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000557120196 321000220 /nfs/dbraw/zinc/00/02/20/321000220.db2.gz ISTOVRXREQZDAI-HUUCEWRRSA-N 2 2 348.447 1.193 20 0 EDADLP CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000557354706 321002933 /nfs/dbraw/zinc/00/29/33/321002933.db2.gz JXUWZQSQATVUQB-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557374176 321003377 /nfs/dbraw/zinc/00/33/77/321003377.db2.gz IASXNGIGTFQUTE-AWEZNQCLSA-N 2 2 343.431 1.463 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557374176 321003378 /nfs/dbraw/zinc/00/33/78/321003378.db2.gz IASXNGIGTFQUTE-AWEZNQCLSA-N 2 2 343.431 1.463 20 0 EDADLP COc1ccc(OCC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000563215287 321101302 /nfs/dbraw/zinc/10/13/02/321101302.db2.gz FRQDFNLHPJJXGN-UHFFFAOYSA-N 2 2 334.460 1.901 20 0 EDADLP CC[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000564859479 321152271 /nfs/dbraw/zinc/15/22/71/321152271.db2.gz FQPCLBKHFMQXTG-SYQHCUMBSA-N 2 2 342.402 1.404 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)n1C ZINC000564878875 321153675 /nfs/dbraw/zinc/15/36/75/321153675.db2.gz IDSUAAIBYLDUDM-UHFFFAOYSA-N 2 2 334.445 1.106 20 0 EDADLP [NH3+]CCC1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000565110053 321169946 /nfs/dbraw/zinc/16/99/46/321169946.db2.gz MOAWPBSTKNKNLL-UHFFFAOYSA-N 2 2 328.420 1.919 20 0 EDADLP O=C1[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCN1c1cccc(F)c1 ZINC000565165005 321171452 /nfs/dbraw/zinc/17/14/52/321171452.db2.gz OMXALXSBCKQJCM-MRXNPFEDSA-N 2 2 343.406 1.866 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+]Cc2c[nH+]c(C)n2C)c(C)s1 ZINC000565238671 321178296 /nfs/dbraw/zinc/17/82/96/321178296.db2.gz QZWKWXYZIAWEAH-UHFFFAOYSA-N 2 2 342.490 1.475 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000565321462 321182065 /nfs/dbraw/zinc/18/20/65/321182065.db2.gz LEMNQMIIWOGQBY-WMZOPIPTSA-N 2 2 331.460 1.518 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000565321462 321182066 /nfs/dbraw/zinc/18/20/66/321182066.db2.gz LEMNQMIIWOGQBY-WMZOPIPTSA-N 2 2 331.460 1.518 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000565477838 321188156 /nfs/dbraw/zinc/18/81/56/321188156.db2.gz MKTXCJVAERCZKG-FUHWJXTLSA-N 2 2 333.476 1.858 20 0 EDADLP Cc1c(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])oc2ccc(F)cc12 ZINC000565646818 321194382 /nfs/dbraw/zinc/19/43/82/321194382.db2.gz LIIJJBDLOCSNPA-CYBMUJFWSA-N 2 2 334.395 1.665 20 0 EDADLP Cc1c(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])oc2ccc(F)cc12 ZINC000565646818 321194384 /nfs/dbraw/zinc/19/43/84/321194384.db2.gz LIIJJBDLOCSNPA-CYBMUJFWSA-N 2 2 334.395 1.665 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000566417909 321229244 /nfs/dbraw/zinc/22/92/44/321229244.db2.gz ZZOROKMIGGXTIQ-QAPCUYQASA-N 2 2 332.448 1.462 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000566417909 321229245 /nfs/dbraw/zinc/22/92/45/321229245.db2.gz ZZOROKMIGGXTIQ-QAPCUYQASA-N 2 2 332.448 1.462 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000566440860 321231047 /nfs/dbraw/zinc/23/10/47/321231047.db2.gz UGZUZAPWLQADMQ-XJKSGUPXSA-N 2 2 342.447 1.762 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000566440860 321231049 /nfs/dbraw/zinc/23/10/49/321231049.db2.gz UGZUZAPWLQADMQ-XJKSGUPXSA-N 2 2 342.447 1.762 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000567648349 321250610 /nfs/dbraw/zinc/25/06/10/321250610.db2.gz ACXAULAJYXAUKA-HOTGVXAUSA-N 3 2 347.507 1.791 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCCC2)no1 ZINC000568189222 321279647 /nfs/dbraw/zinc/27/96/47/321279647.db2.gz AVGKVHFONCJBSS-UHFFFAOYSA-N 2 2 349.479 1.749 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCCC2)no1 ZINC000568189222 321279648 /nfs/dbraw/zinc/27/96/48/321279648.db2.gz AVGKVHFONCJBSS-UHFFFAOYSA-N 2 2 349.479 1.749 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472526 321326749 /nfs/dbraw/zinc/32/67/49/321326749.db2.gz ASDMJMDIONMKDS-KPFFTGBYSA-N 3 2 345.487 1.679 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472526 321326750 /nfs/dbraw/zinc/32/67/50/321326750.db2.gz ASDMJMDIONMKDS-KPFFTGBYSA-N 3 2 345.487 1.679 20 0 EDADLP CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)[NH+]1CCOCC1 ZINC000569921907 321331671 /nfs/dbraw/zinc/33/16/71/321331671.db2.gz MUOPLIOAXYGGQA-ILXRZTDVSA-N 2 2 335.452 1.545 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CC[NH2+]C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000571105498 321371950 /nfs/dbraw/zinc/37/19/50/321371950.db2.gz IHVFLLPZXFFNRN-HNNXBMFYSA-N 2 2 328.416 1.700 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@@H]21 ZINC000278153505 444108213 /nfs/dbraw/zinc/10/82/13/444108213.db2.gz AIMQYKGYEJKSAB-HCXYKTFWSA-N 2 2 330.472 1.809 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@@H]21 ZINC000278153505 444108219 /nfs/dbraw/zinc/10/82/19/444108219.db2.gz AIMQYKGYEJKSAB-HCXYKTFWSA-N 2 2 330.472 1.809 20 0 EDADLP Cc1nc(N2CC[NH+](C[C@@H]3CCO[C@H]3c3ccnn3C)CC2)cc[nH+]1 ZINC000299742186 444129712 /nfs/dbraw/zinc/12/97/12/444129712.db2.gz ILLKXDDSUCQRNZ-MAUKXSAKSA-N 2 2 342.447 1.418 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000285854494 444129863 /nfs/dbraw/zinc/12/98/63/444129863.db2.gz YBSFHEDZIFWWGW-MRXNPFEDSA-N 2 2 333.432 1.144 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000289412324 444134226 /nfs/dbraw/zinc/13/42/26/444134226.db2.gz VBKCAOFLMRDRJA-DOMZBBRYSA-N 2 2 326.462 1.196 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000289412324 444134230 /nfs/dbraw/zinc/13/42/30/444134230.db2.gz VBKCAOFLMRDRJA-DOMZBBRYSA-N 2 2 326.462 1.196 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(=O)[nH]n1 ZINC000285895480 444145278 /nfs/dbraw/zinc/14/52/78/444145278.db2.gz CKMKNERAUQRCOO-HNNXBMFYSA-N 2 2 341.459 1.368 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(=O)[nH]n1 ZINC000285895480 444145286 /nfs/dbraw/zinc/14/52/86/444145286.db2.gz CKMKNERAUQRCOO-HNNXBMFYSA-N 2 2 341.459 1.368 20 0 EDADLP Cc1ccc(NCCCN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)[nH+]c1 ZINC000285914767 444151367 /nfs/dbraw/zinc/15/13/67/444151367.db2.gz LFLRFIRISDZRQM-ZDUSSCGKSA-N 2 2 328.376 1.078 20 0 EDADLP Cc1ccc(NCCCN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)[nH+]c1 ZINC000285914767 444151370 /nfs/dbraw/zinc/15/13/70/444151370.db2.gz LFLRFIRISDZRQM-ZDUSSCGKSA-N 2 2 328.376 1.078 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CC[N@@H+]4CCCC[C@@H]4C3)nc[nH+]2)C1 ZINC000301232262 444156306 /nfs/dbraw/zinc/15/63/06/444156306.db2.gz JYUXEHWBGPXJFZ-HZPDHXFCSA-N 2 2 331.464 1.360 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CC[N@H+]4CCCC[C@@H]4C3)nc[nH+]2)C1 ZINC000301232262 444156308 /nfs/dbraw/zinc/15/63/08/444156308.db2.gz JYUXEHWBGPXJFZ-HZPDHXFCSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1)C1CC1 ZINC000289490538 444157378 /nfs/dbraw/zinc/15/73/78/444157378.db2.gz JIMDSUITDUKQDT-LSDHHAIUSA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1)C1CC1 ZINC000289490538 444157381 /nfs/dbraw/zinc/15/73/81/444157381.db2.gz JIMDSUITDUKQDT-LSDHHAIUSA-N 2 2 343.265 1.527 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000289844787 444210550 /nfs/dbraw/zinc/21/05/50/444210550.db2.gz FJVMLQFMPAEOHF-KGLIPLIRSA-N 2 2 343.830 1.706 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N[C@@H](C)CC[NH+]2CCN(C)CC2)n1 ZINC000302299938 444211180 /nfs/dbraw/zinc/21/11/80/444211180.db2.gz YHQSXMWQXUYJML-AWEZNQCLSA-N 2 2 329.452 1.409 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000575025770 321511702 /nfs/dbraw/zinc/51/17/02/321511702.db2.gz RUJHFKFHHSICET-ZWKOTPCHSA-N 2 2 346.475 1.420 20 0 EDADLP COc1nccnc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000296328065 444221364 /nfs/dbraw/zinc/22/13/64/444221364.db2.gz HONUKCKBSXNJST-HNNXBMFYSA-N 2 2 342.443 1.996 20 0 EDADLP COc1nccnc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000296328065 444221366 /nfs/dbraw/zinc/22/13/66/444221366.db2.gz HONUKCKBSXNJST-HNNXBMFYSA-N 2 2 342.443 1.996 20 0 EDADLP c1nc(N2CCC(C[NH+]3CCOCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000301829729 444192710 /nfs/dbraw/zinc/19/27/10/444192710.db2.gz PFQOZVDJZPGMEU-UHFFFAOYSA-N 2 2 331.464 1.847 20 0 EDADLP c1nc(NCC2CC2)cc(N2CCC(C[NH+]3CCOCC3)CC2)[nH+]1 ZINC000301829729 444192713 /nfs/dbraw/zinc/19/27/13/444192713.db2.gz PFQOZVDJZPGMEU-UHFFFAOYSA-N 2 2 331.464 1.847 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(c2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000301860323 444194299 /nfs/dbraw/zinc/19/42/99/444194299.db2.gz DOQVHPGUEHNPJZ-UHFFFAOYSA-N 2 2 344.419 1.046 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(c2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000301860323 444194303 /nfs/dbraw/zinc/19/43/03/444194303.db2.gz DOQVHPGUEHNPJZ-UHFFFAOYSA-N 2 2 344.419 1.046 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(O)CCCC3)CC2)CC1 ZINC000303992093 444239270 /nfs/dbraw/zinc/23/92/70/444239270.db2.gz MILMFTWIWAIJNZ-UHFFFAOYSA-N 2 2 338.496 1.149 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000290100875 444242424 /nfs/dbraw/zinc/24/24/24/444242424.db2.gz HYNMLYFERWDUOB-MOPGFXCFSA-N 2 2 345.487 1.844 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)C1 ZINC000304175932 444242994 /nfs/dbraw/zinc/24/29/94/444242994.db2.gz TXRDXDQJBRXUGM-QAPCUYQASA-N 2 2 339.430 1.710 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)C1 ZINC000304175932 444242996 /nfs/dbraw/zinc/24/29/96/444242996.db2.gz TXRDXDQJBRXUGM-QAPCUYQASA-N 2 2 339.430 1.710 20 0 EDADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000290659106 444307223 /nfs/dbraw/zinc/30/72/23/444307223.db2.gz OCGKCGMGQCDDNM-SFHVURJKSA-N 2 2 334.508 1.631 20 0 EDADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000290659106 444307224 /nfs/dbraw/zinc/30/72/24/444307224.db2.gz OCGKCGMGQCDDNM-SFHVURJKSA-N 2 2 334.508 1.631 20 0 EDADLP CN(CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C)CC[NH+](C)C ZINC000290659106 444307226 /nfs/dbraw/zinc/30/72/26/444307226.db2.gz OCGKCGMGQCDDNM-SFHVURJKSA-N 2 2 334.508 1.631 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc(Cl)c1OC ZINC000315915781 444307510 /nfs/dbraw/zinc/30/75/10/444307510.db2.gz VGWJJRGPGHOEMT-ZDUSSCGKSA-N 2 2 327.856 1.693 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc(Cl)c1OC ZINC000315915781 444307512 /nfs/dbraw/zinc/30/75/12/444307512.db2.gz VGWJJRGPGHOEMT-ZDUSSCGKSA-N 2 2 327.856 1.693 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000577628484 321669406 /nfs/dbraw/zinc/66/94/06/321669406.db2.gz HMTATMWCJIETNG-SJLPKXTDSA-N 2 2 349.500 1.319 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCO[C@H]21 ZINC000305756546 444278134 /nfs/dbraw/zinc/27/81/34/444278134.db2.gz AIMQYKGYEJKSAB-WJFTUGDTSA-N 2 2 330.472 1.809 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCO[C@H]21 ZINC000305756546 444278135 /nfs/dbraw/zinc/27/81/35/444278135.db2.gz AIMQYKGYEJKSAB-WJFTUGDTSA-N 2 2 330.472 1.809 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000290556712 444294812 /nfs/dbraw/zinc/29/48/12/444294812.db2.gz DKANEFHUQBRIPH-OKILXGFUSA-N 2 2 331.420 1.907 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000290556712 444294814 /nfs/dbraw/zinc/29/48/14/444294814.db2.gz DKANEFHUQBRIPH-OKILXGFUSA-N 2 2 331.420 1.907 20 0 EDADLP CN1C(=O)CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000325854590 444370513 /nfs/dbraw/zinc/37/05/13/444370513.db2.gz VZWSMOJBQBSCSV-KRWDZBQOSA-N 2 2 329.444 1.431 20 0 EDADLP O=S1(=O)CC[C@@H](C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000297773500 444332669 /nfs/dbraw/zinc/33/26/69/444332669.db2.gz VUUFSYFLXSBDPH-HNNXBMFYSA-N 2 2 345.468 1.792 20 0 EDADLP CC(C)N1CCC[C@@H]([NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1=O ZINC000328650890 444413677 /nfs/dbraw/zinc/41/36/77/444413677.db2.gz JGGFFANMAVXJQQ-OAHLLOKOSA-N 2 2 346.479 1.064 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)C[C@@H](C)O1 ZINC000578860663 321843012 /nfs/dbraw/zinc/84/30/12/321843012.db2.gz ANTVFLAYOWGGTG-YRGRVCCFSA-N 2 2 346.393 1.706 20 0 EDADLP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000326670182 444377894 /nfs/dbraw/zinc/37/78/94/444377894.db2.gz KKXXSRCDRGIWKB-LJQANCHMSA-N 2 2 336.439 1.613 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cn4ccccc4n3)[nH+]c2)C1 ZINC000337773169 444399171 /nfs/dbraw/zinc/39/91/71/444399171.db2.gz FIQDOCATKRLZMD-KRWDZBQOSA-N 2 2 336.443 2.482 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000579478899 321940418 /nfs/dbraw/zinc/94/04/18/321940418.db2.gz FHGJRFKJXRMARS-INIZCTEOSA-N 2 2 348.491 1.795 20 0 EDADLP c1ccc(CCc2noc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000580055497 322002473 /nfs/dbraw/zinc/00/24/73/322002473.db2.gz UYBWMBSCUCOFCZ-KRWDZBQOSA-N 2 2 341.459 1.334 20 0 EDADLP c1ccc(CCc2noc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000580055497 322002475 /nfs/dbraw/zinc/00/24/75/322002475.db2.gz UYBWMBSCUCOFCZ-KRWDZBQOSA-N 2 2 341.459 1.334 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NCCOCC[NH+](C)C)C(F)(F)F ZINC000580209702 322024379 /nfs/dbraw/zinc/02/43/79/322024379.db2.gz FBSNXIIURBIELD-LLVKDONJSA-N 2 2 336.358 1.151 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH2+][C@H](c3ccncc3)C1)C2 ZINC000580686626 322081512 /nfs/dbraw/zinc/08/15/12/322081512.db2.gz SHSZEAVIYHPADK-WBVHZDCISA-N 2 2 325.416 1.322 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000329206221 444501588 /nfs/dbraw/zinc/50/15/88/444501588.db2.gz XIMGBPILYFSSLQ-QZTJIDSGSA-N 2 2 342.443 1.666 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000329206221 444501593 /nfs/dbraw/zinc/50/15/93/444501593.db2.gz XIMGBPILYFSSLQ-QZTJIDSGSA-N 2 2 342.443 1.666 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000580776198 322094425 /nfs/dbraw/zinc/09/44/25/322094425.db2.gz OGYQMUBYDGFDKI-ZNMIVQPWSA-N 2 2 336.455 1.578 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000580822912 322099316 /nfs/dbraw/zinc/09/93/16/322099316.db2.gz UQVLTARZEFNVDS-GVDBMIGSSA-N 2 2 332.448 1.191 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000580822912 322099319 /nfs/dbraw/zinc/09/93/19/322099319.db2.gz UQVLTARZEFNVDS-GVDBMIGSSA-N 2 2 332.448 1.191 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581042192 322127300 /nfs/dbraw/zinc/12/73/00/322127300.db2.gz FOAJOJPOFKINAM-AWEZNQCLSA-N 2 2 332.448 1.830 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[N@@H+]1C ZINC000338059649 444503277 /nfs/dbraw/zinc/50/32/77/444503277.db2.gz FQJUXYFIDXRMTB-WBVHZDCISA-N 2 2 331.464 1.392 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[N@H+]1C ZINC000338059649 444503280 /nfs/dbraw/zinc/50/32/80/444503280.db2.gz FQJUXYFIDXRMTB-WBVHZDCISA-N 2 2 331.464 1.392 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)c2ccccn2)[C@@H](C[NH3+])C1 ZINC000581359320 322168122 /nfs/dbraw/zinc/16/81/22/322168122.db2.gz LYQGCSKXQQUTBP-FUHWJXTLSA-N 2 2 339.443 1.455 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)c2ccccn2)[C@@H](C[NH3+])C1 ZINC000581359320 322168124 /nfs/dbraw/zinc/16/81/24/322168124.db2.gz LYQGCSKXQQUTBP-FUHWJXTLSA-N 2 2 339.443 1.455 20 0 EDADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000581419297 322174887 /nfs/dbraw/zinc/17/48/87/322174887.db2.gz ZROGXCBRIANPOK-BETUJISGSA-N 2 2 345.834 1.887 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)N1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000581430235 322177039 /nfs/dbraw/zinc/17/70/39/322177039.db2.gz SAHRYWXDQYGKLA-INIZCTEOSA-N 2 2 345.491 1.470 20 0 EDADLP C[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCOCC1 ZINC000343734695 444552964 /nfs/dbraw/zinc/55/29/64/444552964.db2.gz MKAGQARVTZCBAL-LMMKCTJWSA-N 2 2 345.487 1.591 20 0 EDADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCOCC1 ZINC000343734695 444552965 /nfs/dbraw/zinc/55/29/65/444552965.db2.gz MKAGQARVTZCBAL-LMMKCTJWSA-N 2 2 345.487 1.591 20 0 EDADLP C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338218970 444569131 /nfs/dbraw/zinc/56/91/31/444569131.db2.gz CPDGACAEWNLIST-SFHVURJKSA-N 2 2 329.400 1.916 20 0 EDADLP C[C@@H]1OCC[C@H]1[N@H+](CCO)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342165001 444542787 /nfs/dbraw/zinc/54/27/87/444542787.db2.gz LHSPKELEDBIVKT-YSIASYRMSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342165001 444542789 /nfs/dbraw/zinc/54/27/89/444542789.db2.gz LHSPKELEDBIVKT-YSIASYRMSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@H]1[NH+](CCO)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342165001 444542791 /nfs/dbraw/zinc/54/27/91/444542791.db2.gz LHSPKELEDBIVKT-YSIASYRMSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@H]1[NH+](CCO)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342165001 444542792 /nfs/dbraw/zinc/54/27/92/444542792.db2.gz LHSPKELEDBIVKT-YSIASYRMSA-N 2 2 348.487 1.749 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000338240877 444583261 /nfs/dbraw/zinc/58/32/61/444583261.db2.gz YRNIYVDSESCDJP-LJQANCHMSA-N 2 2 335.467 1.793 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000338314794 444626525 /nfs/dbraw/zinc/62/65/25/444626525.db2.gz BKGVMEVEDJRVJS-UHFFFAOYSA-N 2 2 341.419 1.359 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000333007439 444627409 /nfs/dbraw/zinc/62/74/09/444627409.db2.gz OJGZVRNTNICBML-XEZPLFJOSA-N 2 2 333.436 1.176 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000333007439 444627413 /nfs/dbraw/zinc/62/74/13/444627413.db2.gz OJGZVRNTNICBML-XEZPLFJOSA-N 2 2 333.436 1.176 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329461026 444589671 /nfs/dbraw/zinc/58/96/71/444589671.db2.gz SJMMCAGMYBMSKU-INIZCTEOSA-N 2 2 332.448 1.617 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329461026 444589676 /nfs/dbraw/zinc/58/96/76/444589676.db2.gz SJMMCAGMYBMSKU-INIZCTEOSA-N 2 2 332.448 1.617 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000338286070 444612025 /nfs/dbraw/zinc/61/20/25/444612025.db2.gz GAALKDYNRXWZLL-UHFFFAOYSA-N 3 2 347.507 1.539 20 0 EDADLP CCC1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)(C(=O)OC)CC1 ZINC000338291494 444615010 /nfs/dbraw/zinc/61/50/10/444615010.db2.gz XZUMAWSOHKHJAN-UHFFFAOYSA-N 2 2 339.480 1.252 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332967063 444615142 /nfs/dbraw/zinc/61/51/42/444615142.db2.gz ZQVWUBKZVUDBHB-UKRRQHHQSA-N 2 2 334.468 1.281 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332967063 444615145 /nfs/dbraw/zinc/61/51/45/444615145.db2.gz ZQVWUBKZVUDBHB-UKRRQHHQSA-N 2 2 334.468 1.281 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000340993234 444619695 /nfs/dbraw/zinc/61/96/95/444619695.db2.gz ZXYBFYUGPMEGSN-WBVHZDCISA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000340993234 444619699 /nfs/dbraw/zinc/61/96/99/444619699.db2.gz ZXYBFYUGPMEGSN-WBVHZDCISA-N 2 2 338.496 1.271 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000333298067 444654664 /nfs/dbraw/zinc/65/46/64/444654664.db2.gz BKDDKWSVAIZPHJ-KRWDZBQOSA-N 2 2 327.432 1.922 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000333298067 444654667 /nfs/dbraw/zinc/65/46/67/444654667.db2.gz BKDDKWSVAIZPHJ-KRWDZBQOSA-N 2 2 327.432 1.922 20 0 EDADLP CNC(=O)N[C@H]1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000342383445 444668097 /nfs/dbraw/zinc/66/80/97/444668097.db2.gz XBGQVWZNWRKNEK-GJZGRUSLSA-N 2 2 345.447 1.017 20 0 EDADLP CNC(=O)N[C@H]1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000342383445 444668098 /nfs/dbraw/zinc/66/80/98/444668098.db2.gz XBGQVWZNWRKNEK-GJZGRUSLSA-N 2 2 345.447 1.017 20 0 EDADLP Cc1cnc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1C ZINC000341092919 444670484 /nfs/dbraw/zinc/67/04/84/444670484.db2.gz NYWJXFHGGJHXOC-UHFFFAOYSA-N 2 2 341.459 1.406 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333727114 444692929 /nfs/dbraw/zinc/69/29/29/444692929.db2.gz VNORIJRAMMZSHX-YESZJQIVSA-N 2 2 345.491 1.858 20 0 EDADLP OC[C@@]1(F)CC[NH+](Cc2ccc(C[N@H+]3CC[C@@](F)(CO)C3)cc2)C1 ZINC000338585477 444756696 /nfs/dbraw/zinc/75/66/96/444756696.db2.gz REESJHLBWWJHNK-HDICACEKSA-N 2 2 340.414 1.499 20 0 EDADLP OC[C@@]1(F)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@](F)(CO)C3)cc2)C1 ZINC000338585477 444756702 /nfs/dbraw/zinc/75/67/02/444756702.db2.gz REESJHLBWWJHNK-HDICACEKSA-N 2 2 340.414 1.499 20 0 EDADLP OC[C@@]1(F)CC[N@@H+](Cc2ccc(C[NH+]3CC[C@@](F)(CO)C3)cc2)C1 ZINC000338585477 444756705 /nfs/dbraw/zinc/75/67/05/444756705.db2.gz REESJHLBWWJHNK-HDICACEKSA-N 2 2 340.414 1.499 20 0 EDADLP OC[C@@]1(F)CC[N@H+](Cc2ccc(C[NH+]3CC[C@@](F)(CO)C3)cc2)C1 ZINC000338585477 444756707 /nfs/dbraw/zinc/75/67/07/444756707.db2.gz REESJHLBWWJHNK-HDICACEKSA-N 2 2 340.414 1.499 20 0 EDADLP CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CCn2cc[nH+]c2)CC1 ZINC000344082407 444771196 /nfs/dbraw/zinc/77/11/96/444771196.db2.gz DJJSZCCEKLUFOB-AWEZNQCLSA-N 2 2 328.482 1.265 20 0 EDADLP CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)CCn2cc[nH+]c2)CC1 ZINC000344082407 444771198 /nfs/dbraw/zinc/77/11/98/444771198.db2.gz DJJSZCCEKLUFOB-AWEZNQCLSA-N 2 2 328.482 1.265 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000334099302 444779110 /nfs/dbraw/zinc/77/91/10/444779110.db2.gz VIFFQMCSRPRALU-SOUVJXGZSA-N 2 2 335.452 1.326 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338623453 444779675 /nfs/dbraw/zinc/77/96/75/444779675.db2.gz GVONRYQGKRNCGN-LJQANCHMSA-N 2 2 349.450 1.046 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](F)(CO)C2)CC1 ZINC000338623453 444779681 /nfs/dbraw/zinc/77/96/81/444779681.db2.gz GVONRYQGKRNCGN-LJQANCHMSA-N 2 2 349.450 1.046 20 0 EDADLP CC1(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]CC1 ZINC000342623016 444782911 /nfs/dbraw/zinc/78/29/11/444782911.db2.gz UGCKYFIUAZBLKJ-UHFFFAOYSA-N 2 2 331.460 1.638 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000336872885 444818363 /nfs/dbraw/zinc/81/83/63/444818363.db2.gz RCHNINAJLPRYNP-UHFFFAOYSA-N 2 2 328.342 1.495 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000342699879 444822818 /nfs/dbraw/zinc/82/28/18/444822818.db2.gz WIEFPUDUBAROPB-OAHLLOKOSA-N 2 2 348.447 1.359 20 0 EDADLP C[NH+](C)Cc1ccc(CNc2ncnc3c2C[N@H+](C)CC3)cc1F ZINC000342774041 444861165 /nfs/dbraw/zinc/86/11/65/444861165.db2.gz HGASHWQVTVWYPE-UHFFFAOYSA-N 2 2 329.423 2.277 20 0 EDADLP C[NH+](C)Cc1ccc(CNc2ncnc3c2C[N@@H+](C)CC3)cc1F ZINC000342774041 444861168 /nfs/dbraw/zinc/86/11/68/444861168.db2.gz HGASHWQVTVWYPE-UHFFFAOYSA-N 2 2 329.423 2.277 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000330059111 444828666 /nfs/dbraw/zinc/82/86/66/444828666.db2.gz KLDRUESEUZDUFB-XHSDSOJGSA-N 2 2 331.464 1.382 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000330059111 444828669 /nfs/dbraw/zinc/82/86/69/444828669.db2.gz KLDRUESEUZDUFB-XHSDSOJGSA-N 2 2 331.464 1.382 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000330059111 444828670 /nfs/dbraw/zinc/82/86/70/444828670.db2.gz KLDRUESEUZDUFB-XHSDSOJGSA-N 2 2 331.464 1.382 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000330059111 444828673 /nfs/dbraw/zinc/82/86/73/444828673.db2.gz KLDRUESEUZDUFB-XHSDSOJGSA-N 2 2 331.464 1.382 20 0 EDADLP COc1ncc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)n1 ZINC000337126804 444953721 /nfs/dbraw/zinc/95/37/21/444953721.db2.gz GFEZIJDXQZTHEX-IYBDPMFKSA-N 2 2 347.507 1.784 20 0 EDADLP COc1ncc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C)n1 ZINC000337126804 444953723 /nfs/dbraw/zinc/95/37/23/444953723.db2.gz GFEZIJDXQZTHEX-IYBDPMFKSA-N 2 2 347.507 1.784 20 0 EDADLP CN(C)c1ccc(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c[nH+]1 ZINC000341721205 444970098 /nfs/dbraw/zinc/97/00/98/444970098.db2.gz JVVFKHZXCUDQCG-INIZCTEOSA-N 2 2 348.516 1.981 20 0 EDADLP C[C@@H]1COCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000338988363 444972545 /nfs/dbraw/zinc/97/25/45/444972545.db2.gz SVVWOPYZYLFHCY-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP CCc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)nc1 ZINC000339003269 444980914 /nfs/dbraw/zinc/98/09/14/444980914.db2.gz IGXNXMDQQPBZIX-UHFFFAOYSA-N 2 2 326.448 1.822 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2C1 ZINC000339056720 445012322 /nfs/dbraw/zinc/01/23/22/445012322.db2.gz QQKCIOLMTRSMTD-MRXNPFEDSA-N 2 2 345.491 1.546 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2C1 ZINC000339056720 445012325 /nfs/dbraw/zinc/01/23/25/445012325.db2.gz QQKCIOLMTRSMTD-MRXNPFEDSA-N 2 2 345.491 1.546 20 0 EDADLP CC(C)COCC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000337381599 445056232 /nfs/dbraw/zinc/05/62/32/445056232.db2.gz ZDSKDPJVSVRNHC-CVEARBPZSA-N 2 2 326.460 1.937 20 0 EDADLP CC(C)COCC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000337381599 445056237 /nfs/dbraw/zinc/05/62/37/445056237.db2.gz ZDSKDPJVSVRNHC-CVEARBPZSA-N 2 2 326.460 1.937 20 0 EDADLP OC[C@@H]1CSCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341914768 445070038 /nfs/dbraw/zinc/07/00/38/445070038.db2.gz ZEWZFUGCJFKXSI-MSOLQXFVSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@@H]1CSCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341914768 445070042 /nfs/dbraw/zinc/07/00/42/445070042.db2.gz ZEWZFUGCJFKXSI-MSOLQXFVSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@@H]1CSCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341914768 445070047 /nfs/dbraw/zinc/07/00/47/445070047.db2.gz ZEWZFUGCJFKXSI-MSOLQXFVSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@@H]1CSCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341914768 445070051 /nfs/dbraw/zinc/07/00/51/445070051.db2.gz ZEWZFUGCJFKXSI-MSOLQXFVSA-N 2 2 336.501 1.687 20 0 EDADLP O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]12 ZINC000341916385 445071218 /nfs/dbraw/zinc/07/12/18/445071218.db2.gz WHKZNBKAVZOTMW-YSTOQKLRSA-N 2 2 330.472 1.980 20 0 EDADLP O[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]12 ZINC000341916385 445071221 /nfs/dbraw/zinc/07/12/21/445071221.db2.gz WHKZNBKAVZOTMW-YSTOQKLRSA-N 2 2 330.472 1.980 20 0 EDADLP O[C@@H]1CC[C@@H]2C[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]12 ZINC000341916385 445071225 /nfs/dbraw/zinc/07/12/25/445071225.db2.gz WHKZNBKAVZOTMW-YSTOQKLRSA-N 2 2 330.472 1.980 20 0 EDADLP O[C@@H]1CC[C@@H]2C[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]12 ZINC000341916385 445071228 /nfs/dbraw/zinc/07/12/28/445071228.db2.gz WHKZNBKAVZOTMW-YSTOQKLRSA-N 2 2 330.472 1.980 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCC[C@@H]1C ZINC000343133864 445086278 /nfs/dbraw/zinc/08/62/78/445086278.db2.gz SGZSUGUJIKTULG-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCC[C@@H]1C ZINC000343133864 445086282 /nfs/dbraw/zinc/08/62/82/445086282.db2.gz SGZSUGUJIKTULG-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000343133864 445086286 /nfs/dbraw/zinc/08/62/86/445086286.db2.gz SGZSUGUJIKTULG-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@H+]1CCCC[C@@H]1C ZINC000343133864 445086290 /nfs/dbraw/zinc/08/62/90/445086290.db2.gz SGZSUGUJIKTULG-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP COc1ccccc1[C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000337564197 445139417 /nfs/dbraw/zinc/13/94/17/445139417.db2.gz AKKOXLHTDJYOCQ-DOTOQJQBSA-N 2 2 347.459 1.136 20 0 EDADLP CC[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339225674 445099344 /nfs/dbraw/zinc/09/93/44/445099344.db2.gz BINFXJRJSHVBSX-DLBZAZTESA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339225674 445099347 /nfs/dbraw/zinc/09/93/47/445099347.db2.gz BINFXJRJSHVBSX-DLBZAZTESA-N 2 2 325.497 1.865 20 0 EDADLP C[C@@H]1OCC[C@@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000343168103 445109897 /nfs/dbraw/zinc/10/98/97/445109897.db2.gz UWKOBMUHEQHTNS-REOARJMMSA-N 2 2 336.480 1.116 20 0 EDADLP C[C@@H]1OCC[C@@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000343168103 445109900 /nfs/dbraw/zinc/10/99/00/445109900.db2.gz UWKOBMUHEQHTNS-REOARJMMSA-N 2 2 336.480 1.116 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000339271536 445128754 /nfs/dbraw/zinc/12/87/54/445128754.db2.gz GFHQDNSRPQAQMM-QGZVFWFLSA-N 2 2 349.479 1.180 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000339271536 445128756 /nfs/dbraw/zinc/12/87/56/445128756.db2.gz GFHQDNSRPQAQMM-QGZVFWFLSA-N 2 2 349.479 1.180 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000339271536 445128758 /nfs/dbraw/zinc/12/87/58/445128758.db2.gz GFHQDNSRPQAQMM-QGZVFWFLSA-N 2 2 349.479 1.180 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000339271536 445128760 /nfs/dbraw/zinc/12/87/60/445128760.db2.gz GFHQDNSRPQAQMM-QGZVFWFLSA-N 2 2 349.479 1.180 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)[C@@H](C)N3CC[NH+](C)CC3)CC[NH2+]2)cc1 ZINC000337609138 445164742 /nfs/dbraw/zinc/16/47/42/445164742.db2.gz WZXGDRDMWSMMSG-VQIMIIECSA-N 2 2 344.503 1.358 20 0 EDADLP C[N@H+](CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C1CCCC1 ZINC000343276166 445173759 /nfs/dbraw/zinc/17/37/59/445173759.db2.gz RTFNLRLSBSNOEH-UHFFFAOYSA-N 2 2 346.475 1.518 20 0 EDADLP C[N@@H+](CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C1CCCC1 ZINC000343276166 445173761 /nfs/dbraw/zinc/17/37/61/445173761.db2.gz RTFNLRLSBSNOEH-UHFFFAOYSA-N 2 2 346.475 1.518 20 0 EDADLP COc1ccccc1[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC[NH2+]1 ZINC000337572149 445144648 /nfs/dbraw/zinc/14/46/48/445144648.db2.gz DIUDWDPNDVGMEU-GDBMZVCRSA-N 2 2 349.500 1.605 20 0 EDADLP COc1ccccc1[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC[NH2+]1 ZINC000337572149 445144651 /nfs/dbraw/zinc/14/46/51/445144651.db2.gz DIUDWDPNDVGMEU-GDBMZVCRSA-N 2 2 349.500 1.605 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000337576173 445146773 /nfs/dbraw/zinc/14/67/73/445146773.db2.gz WTDQASRDTXBIMR-QGZVFWFLSA-N 2 2 327.469 1.251 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000346019071 445204162 /nfs/dbraw/zinc/20/41/62/445204162.db2.gz PMXXTPCVFZKIBY-MSOLQXFVSA-N 2 2 331.460 1.611 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000346019071 445204165 /nfs/dbraw/zinc/20/41/65/445204165.db2.gz PMXXTPCVFZKIBY-MSOLQXFVSA-N 2 2 331.460 1.611 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000346019071 445204166 /nfs/dbraw/zinc/20/41/66/445204166.db2.gz PMXXTPCVFZKIBY-MSOLQXFVSA-N 2 2 331.460 1.611 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000346019071 445204168 /nfs/dbraw/zinc/20/41/68/445204168.db2.gz PMXXTPCVFZKIBY-MSOLQXFVSA-N 2 2 331.460 1.611 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)C1 ZINC000343425223 445220132 /nfs/dbraw/zinc/22/01/32/445220132.db2.gz BGSOYAXZFHYNQL-QAPCUYQASA-N 2 2 341.459 1.952 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)C1 ZINC000343425223 445220134 /nfs/dbraw/zinc/22/01/34/445220134.db2.gz BGSOYAXZFHYNQL-QAPCUYQASA-N 2 2 341.459 1.952 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000343497223 445234342 /nfs/dbraw/zinc/23/43/42/445234342.db2.gz KRWXYIVBVBHIIZ-APWZRJJASA-N 3 2 344.503 1.504 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000343497223 445234344 /nfs/dbraw/zinc/23/43/44/445234344.db2.gz KRWXYIVBVBHIIZ-APWZRJJASA-N 3 2 344.503 1.504 20 0 EDADLP CC[C@H](C(=O)OC)[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348100377 445267798 /nfs/dbraw/zinc/26/77/98/445267798.db2.gz IUSQEXAJISACEA-MGPQQGTHSA-N 2 2 326.416 1.216 20 0 EDADLP CC[C@H](C(=O)OC)[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348100377 445267800 /nfs/dbraw/zinc/26/78/00/445267800.db2.gz IUSQEXAJISACEA-MGPQQGTHSA-N 2 2 326.416 1.216 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ncc(C[NH+](C)C)s1 ZINC000348197369 445313119 /nfs/dbraw/zinc/31/31/19/445313119.db2.gz CYSIUHNUFUVPSQ-CYBMUJFWSA-N 2 2 326.510 1.482 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ncc(C[NH+](C)C)s1 ZINC000348197369 445313120 /nfs/dbraw/zinc/31/31/20/445313120.db2.gz CYSIUHNUFUVPSQ-CYBMUJFWSA-N 2 2 326.510 1.482 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000348110089 445272852 /nfs/dbraw/zinc/27/28/52/445272852.db2.gz BHJFKVKUMOMFIN-UONOGXRCSA-N 2 2 339.459 1.179 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000348110089 445272855 /nfs/dbraw/zinc/27/28/55/445272855.db2.gz BHJFKVKUMOMFIN-UONOGXRCSA-N 2 2 339.459 1.179 20 0 EDADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000348407944 445280505 /nfs/dbraw/zinc/28/05/05/445280505.db2.gz XLFWVQUTDXSKSX-VQTJNVASSA-N 2 2 349.519 1.426 20 0 EDADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000348407944 445280509 /nfs/dbraw/zinc/28/05/09/445280509.db2.gz XLFWVQUTDXSKSX-VQTJNVASSA-N 2 2 349.519 1.426 20 0 EDADLP CC(C)CNC(=O)C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348126404 445282205 /nfs/dbraw/zinc/28/22/05/445282205.db2.gz WCNUSALBSWJGJJ-HUUCEWRRSA-N 2 2 339.459 1.037 20 0 EDADLP CC(C)CNC(=O)C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348126404 445282207 /nfs/dbraw/zinc/28/22/07/445282207.db2.gz WCNUSALBSWJGJJ-HUUCEWRRSA-N 2 2 339.459 1.037 20 0 EDADLP CCOCC[C@H](O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348126236 445282545 /nfs/dbraw/zinc/28/25/45/445282545.db2.gz XRHSZUFMEYMRKD-JYJNAYRXSA-N 2 2 342.459 1.052 20 0 EDADLP CCOCC[C@H](O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348126236 445282547 /nfs/dbraw/zinc/28/25/47/445282547.db2.gz XRHSZUFMEYMRKD-JYJNAYRXSA-N 2 2 342.459 1.052 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000343650309 445282571 /nfs/dbraw/zinc/28/25/71/445282571.db2.gz ZZJWXUHOLSQJOS-XJKSGUPXSA-N 2 2 325.478 1.413 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000343650309 445282574 /nfs/dbraw/zinc/28/25/74/445282574.db2.gz ZZJWXUHOLSQJOS-XJKSGUPXSA-N 2 2 325.478 1.413 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000351710846 445286197 /nfs/dbraw/zinc/28/61/97/445286197.db2.gz VCDAMSYGVBNHME-IJEWVQPXSA-N 2 2 336.436 1.080 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000351710846 445286200 /nfs/dbraw/zinc/28/62/00/445286200.db2.gz VCDAMSYGVBNHME-IJEWVQPXSA-N 2 2 336.436 1.080 20 0 EDADLP CC[N@H+](CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000354688604 445341664 /nfs/dbraw/zinc/34/16/64/445341664.db2.gz JOCUOTGAGKACOG-QGZVFWFLSA-N 2 2 346.475 1.278 20 0 EDADLP CC[N@@H+](CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000354688604 445341667 /nfs/dbraw/zinc/34/16/67/445341667.db2.gz JOCUOTGAGKACOG-QGZVFWFLSA-N 2 2 346.475 1.278 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc[nH+]1 ZINC000362424214 445375143 /nfs/dbraw/zinc/37/51/43/445375143.db2.gz GKXRFNBIPZPVSX-PBHICJAKSA-N 2 2 331.464 1.302 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCOc1cccc(Cl)c1 ZINC000357079616 445413261 /nfs/dbraw/zinc/41/32/61/445413261.db2.gz MKNWJBFZGWBBQU-KGLIPLIRSA-N 2 2 337.851 1.376 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCOc1cccc(Cl)c1 ZINC000357079616 445413263 /nfs/dbraw/zinc/41/32/63/445413263.db2.gz MKNWJBFZGWBBQU-KGLIPLIRSA-N 2 2 337.851 1.376 20 0 EDADLP Cc1cc(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000348858489 445418368 /nfs/dbraw/zinc/41/83/68/445418368.db2.gz FOUTZFHBGWTYFP-LJQANCHMSA-N 2 2 340.427 1.570 20 0 EDADLP Cc1cc(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000348858489 445418369 /nfs/dbraw/zinc/41/83/69/445418369.db2.gz FOUTZFHBGWTYFP-LJQANCHMSA-N 2 2 340.427 1.570 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357101896 445429196 /nfs/dbraw/zinc/42/91/96/445429196.db2.gz FLQYQNHPKFVDCT-GJZGRUSLSA-N 2 2 340.427 1.889 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357101896 445429200 /nfs/dbraw/zinc/42/92/00/445429200.db2.gz FLQYQNHPKFVDCT-GJZGRUSLSA-N 2 2 340.427 1.889 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2COCC[C@@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000362449012 445387485 /nfs/dbraw/zinc/38/74/85/445387485.db2.gz NUPJYJXTCDBHPI-WMZOPIPTSA-N 2 2 347.459 1.425 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2COCC[C@@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000362449012 445387490 /nfs/dbraw/zinc/38/74/90/445387490.db2.gz NUPJYJXTCDBHPI-WMZOPIPTSA-N 2 2 347.459 1.425 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362468865 445398524 /nfs/dbraw/zinc/39/85/24/445398524.db2.gz LJUNHMVJUXACTR-DLBZAZTESA-N 2 2 349.479 1.476 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362468865 445398528 /nfs/dbraw/zinc/39/85/28/445398528.db2.gz LJUNHMVJUXACTR-DLBZAZTESA-N 2 2 349.479 1.476 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)CCOC1C[NH2+]C1)c1cccc(F)c1 ZINC000349006132 445473326 /nfs/dbraw/zinc/47/33/26/445473326.db2.gz SVTFOQKRVGHGKI-INIZCTEOSA-N 2 2 332.379 1.143 20 0 EDADLP O=C(CCOC1C[NH2+]C1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000349024911 445478600 /nfs/dbraw/zinc/47/86/00/445478600.db2.gz FZPOTMHTSWYZAV-UHFFFAOYSA-N 2 2 332.448 1.457 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)C2CC[NH+](CC(F)F)CC2)CCCO1 ZINC000357206859 445481966 /nfs/dbraw/zinc/48/19/66/445481966.db2.gz VRVFNSUZNAZUAX-AWEZNQCLSA-N 2 2 347.450 1.581 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)C2CC[NH+](CC(F)F)CC2)CCCO1 ZINC000357206859 445481969 /nfs/dbraw/zinc/48/19/69/445481969.db2.gz VRVFNSUZNAZUAX-AWEZNQCLSA-N 2 2 347.450 1.581 20 0 EDADLP C[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@@H]1[NH+](C)C ZINC000362657889 445482607 /nfs/dbraw/zinc/48/26/07/445482607.db2.gz ZZRCXAARFLCRNU-QWRGUYRKSA-N 2 2 333.358 1.537 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000362579025 445448000 /nfs/dbraw/zinc/44/80/00/445448000.db2.gz GUTXBZIIJZTJNX-AWEZNQCLSA-N 2 2 340.512 1.210 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000362579025 445448002 /nfs/dbraw/zinc/44/80/02/445448002.db2.gz GUTXBZIIJZTJNX-AWEZNQCLSA-N 2 2 340.512 1.210 20 0 EDADLP COc1cccc2c(NCCC[N@@H+]3CCNC(=O)C3)cc(C)[nH+]c12 ZINC000362659445 445483653 /nfs/dbraw/zinc/48/36/53/445483653.db2.gz VSMKEPKQNBKQSU-UHFFFAOYSA-N 2 2 328.416 1.786 20 0 EDADLP COc1cccc2c(NCCC[N@H+]3CCNC(=O)C3)cc(C)[nH+]c12 ZINC000362659445 445483658 /nfs/dbraw/zinc/48/36/58/445483658.db2.gz VSMKEPKQNBKQSU-UHFFFAOYSA-N 2 2 328.416 1.786 20 0 EDADLP COC[C@]1(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CCC[NH2+]1 ZINC000357253759 445509104 /nfs/dbraw/zinc/50/91/04/445509104.db2.gz DNOOFRWEHBRJHA-GOSISDBHSA-N 2 2 328.416 1.679 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(OC)cc1OC ZINC000357302157 445536278 /nfs/dbraw/zinc/53/62/78/445536278.db2.gz FHKRTOMZPWJRMQ-UHFFFAOYSA-N 2 2 335.448 1.300 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(OC)cc1OC ZINC000357302157 445536280 /nfs/dbraw/zinc/53/62/80/445536280.db2.gz FHKRTOMZPWJRMQ-UHFFFAOYSA-N 2 2 335.448 1.300 20 0 EDADLP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362682321 445498312 /nfs/dbraw/zinc/49/83/12/445498312.db2.gz YKOSZDYLVZSXHA-KRWDZBQOSA-N 2 2 330.432 1.041 20 0 EDADLP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362682321 445498314 /nfs/dbraw/zinc/49/83/14/445498314.db2.gz YKOSZDYLVZSXHA-KRWDZBQOSA-N 2 2 330.432 1.041 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000362682901 445498494 /nfs/dbraw/zinc/49/84/94/445498494.db2.gz HZYQDTCBDBWFAU-KRWDZBQOSA-N 2 2 340.427 1.738 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000362682901 445498499 /nfs/dbraw/zinc/49/84/99/445498499.db2.gz HZYQDTCBDBWFAU-KRWDZBQOSA-N 2 2 340.427 1.738 20 0 EDADLP COCC(C)(C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000362823638 445566139 /nfs/dbraw/zinc/56/61/39/445566139.db2.gz VLJQLAZUODCXSC-QGZVFWFLSA-N 2 2 349.475 1.018 20 0 EDADLP COCC(C)(C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000362823638 445566141 /nfs/dbraw/zinc/56/61/41/445566141.db2.gz VLJQLAZUODCXSC-QGZVFWFLSA-N 2 2 349.475 1.018 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(F)cc1 ZINC000362832431 445573053 /nfs/dbraw/zinc/57/30/53/445573053.db2.gz YXVOFNYXSAOUTK-MRXNPFEDSA-N 2 2 348.422 1.051 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(F)cc1 ZINC000362832431 445573058 /nfs/dbraw/zinc/57/30/58/445573058.db2.gz YXVOFNYXSAOUTK-MRXNPFEDSA-N 2 2 348.422 1.051 20 0 EDADLP CSc1ccc(OCC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362836287 445573468 /nfs/dbraw/zinc/57/34/68/445573468.db2.gz FTXRCVWKCWYVDC-OAHLLOKOSA-N 2 2 349.500 1.684 20 0 EDADLP CSc1ccc(OCC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362836287 445573469 /nfs/dbraw/zinc/57/34/69/445573469.db2.gz FTXRCVWKCWYVDC-OAHLLOKOSA-N 2 2 349.500 1.684 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357306977 445539128 /nfs/dbraw/zinc/53/91/28/445539128.db2.gz WTGIILYCJFBXRK-VQIMIIECSA-N 2 2 345.487 1.931 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357306977 445539129 /nfs/dbraw/zinc/53/91/29/445539129.db2.gz WTGIILYCJFBXRK-VQIMIIECSA-N 2 2 345.487 1.931 20 0 EDADLP Cc1ccc(CCC[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c[nH+]1 ZINC000356086151 445611436 /nfs/dbraw/zinc/61/14/36/445611436.db2.gz GHPMDCWRAJFEIT-UHFFFAOYSA-N 2 2 325.478 1.678 20 0 EDADLP Cc1ccc(CCC[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c[nH+]1 ZINC000356086151 445611439 /nfs/dbraw/zinc/61/14/39/445611439.db2.gz GHPMDCWRAJFEIT-UHFFFAOYSA-N 2 2 325.478 1.678 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000360235298 445646560 /nfs/dbraw/zinc/64/65/60/445646560.db2.gz UAZTVHKBSYKEIR-CJNGLKHVSA-N 2 2 341.477 1.165 20 0 EDADLP Cn1cc[nH+]c1CN(CC(=O)NCC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000360281253 445674800 /nfs/dbraw/zinc/67/48/00/445674800.db2.gz DBSWIMGYIHOVMK-INIZCTEOSA-N 2 2 345.491 1.281 20 0 EDADLP CCc1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N3CC[NH+](CC)CC3)C2)no1 ZINC000363107250 445680603 /nfs/dbraw/zinc/68/06/03/445680603.db2.gz DQTALJHZFPPYER-HUUCEWRRSA-N 2 2 349.479 1.364 20 0 EDADLP CCc1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N3CC[NH+](CC)CC3)C2)no1 ZINC000363107250 445680606 /nfs/dbraw/zinc/68/06/06/445680606.db2.gz DQTALJHZFPPYER-HUUCEWRRSA-N 2 2 349.479 1.364 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@H](C)C[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000349818775 445688563 /nfs/dbraw/zinc/68/85/63/445688563.db2.gz DXQQEHGEGFXLLI-CJNGLKHVSA-N 2 2 345.447 1.767 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)NCCC[NH+]2CCOCC2)CCOc2ccccc21 ZINC000363132420 445690676 /nfs/dbraw/zinc/69/06/76/445690676.db2.gz BOPOVXZYROHKHQ-IBGZPJMESA-N 2 2 347.459 1.065 20 0 EDADLP Cc1cc(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)nc(C2CC2)[nH+]1 ZINC000363175800 445707936 /nfs/dbraw/zinc/70/79/36/445707936.db2.gz BEUBBMOOWOSIRS-MRXNPFEDSA-N 2 2 343.475 1.653 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C(C)C)C1 ZINC000363347704 445774531 /nfs/dbraw/zinc/77/45/31/445774531.db2.gz AACYNGUZSAHDTC-HOTGVXAUSA-N 2 2 334.464 1.718 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C(C)C)C1 ZINC000363347704 445774536 /nfs/dbraw/zinc/77/45/36/445774536.db2.gz AACYNGUZSAHDTC-HOTGVXAUSA-N 2 2 334.464 1.718 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccccc1)c1ccncn1 ZINC000358758261 445759865 /nfs/dbraw/zinc/75/98/65/445759865.db2.gz ROFOWARBGQNLFB-APWZRJJASA-N 2 2 325.460 1.792 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)C1 ZINC000363347703 445774817 /nfs/dbraw/zinc/77/48/17/445774817.db2.gz AACYNGUZSAHDTC-CVEARBPZSA-N 2 2 334.464 1.718 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)C1 ZINC000363347703 445774819 /nfs/dbraw/zinc/77/48/19/445774819.db2.gz AACYNGUZSAHDTC-CVEARBPZSA-N 2 2 334.464 1.718 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)[C@H](C)C1 ZINC000356508436 445831111 /nfs/dbraw/zinc/83/11/11/445831111.db2.gz SLPSYXVIPAUWBK-ZBFHGGJFSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)[C@H](C)C1 ZINC000356508436 445831113 /nfs/dbraw/zinc/83/11/13/445831113.db2.gz SLPSYXVIPAUWBK-ZBFHGGJFSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)[C@H](C)C1 ZINC000356508436 445831121 /nfs/dbraw/zinc/83/11/21/445831121.db2.gz SLPSYXVIPAUWBK-ZBFHGGJFSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)[C@H](C)C1 ZINC000356508436 445831124 /nfs/dbraw/zinc/83/11/24/445831124.db2.gz SLPSYXVIPAUWBK-ZBFHGGJFSA-N 2 2 349.479 1.036 20 0 EDADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc2c(c1)COC2 ZINC000361484993 445783124 /nfs/dbraw/zinc/78/31/24/445783124.db2.gz LQGCEHDRGPNGKF-QGZVFWFLSA-N 2 2 347.503 1.758 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2n1C ZINC000356446578 445794014 /nfs/dbraw/zinc/79/40/14/445794014.db2.gz LMJURCLRSPPIHH-HNNXBMFYSA-N 2 2 330.432 1.458 20 0 EDADLP CCc1cc(=O)[nH]c(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363466457 445815663 /nfs/dbraw/zinc/81/56/63/445815663.db2.gz GUCRUZPQVXNMNZ-MRXNPFEDSA-N 2 2 333.480 1.345 20 0 EDADLP CCc1cc(=O)[nH]c(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363466457 445815666 /nfs/dbraw/zinc/81/56/66/445815666.db2.gz GUCRUZPQVXNMNZ-MRXNPFEDSA-N 2 2 333.480 1.345 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCCN(CC[NH+](C)C)CC3)nc[nH+]2)C1 ZINC000363537092 445848900 /nfs/dbraw/zinc/84/89/00/445848900.db2.gz VCTLBLJHNHEUCX-QGZVFWFLSA-N 2 2 346.523 1.787 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000363559496 445858877 /nfs/dbraw/zinc/85/88/77/445858877.db2.gz DJLLONUQBDJHKI-ZDUSSCGKSA-N 2 2 327.388 1.937 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000363559496 445858882 /nfs/dbraw/zinc/85/88/82/445858882.db2.gz DJLLONUQBDJHKI-ZDUSSCGKSA-N 2 2 327.388 1.937 20 0 EDADLP O=C(CN1CC[NH+](C2CCC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000358966958 445866946 /nfs/dbraw/zinc/86/69/46/445866946.db2.gz NQBZHLCRKLSLNE-UHFFFAOYSA-N 2 2 346.475 1.094 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000361667106 445868678 /nfs/dbraw/zinc/86/86/78/445868678.db2.gz MWAOZDBJKDQRGW-CVEARBPZSA-N 2 2 334.464 1.766 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000361667106 445868684 /nfs/dbraw/zinc/86/86/84/445868684.db2.gz MWAOZDBJKDQRGW-CVEARBPZSA-N 2 2 334.464 1.766 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000354082198 445892259 /nfs/dbraw/zinc/89/22/59/445892259.db2.gz KPDVVCILZUJKFH-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000354082198 445892262 /nfs/dbraw/zinc/89/22/62/445892262.db2.gz KPDVVCILZUJKFH-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000356652395 445915731 /nfs/dbraw/zinc/91/57/31/445915731.db2.gz NFJQYNCXBFTZAD-LSDHHAIUSA-N 2 2 348.495 1.258 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000356652395 445915740 /nfs/dbraw/zinc/91/57/40/445915740.db2.gz NFJQYNCXBFTZAD-LSDHHAIUSA-N 2 2 348.495 1.258 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000372988862 445962729 /nfs/dbraw/zinc/96/27/29/445962729.db2.gz GVEDTBUFNLQRMJ-PBHICJAKSA-N 2 2 346.475 1.789 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000372988862 445962736 /nfs/dbraw/zinc/96/27/36/445962736.db2.gz GVEDTBUFNLQRMJ-PBHICJAKSA-N 2 2 346.475 1.789 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000361826463 445984390 /nfs/dbraw/zinc/98/43/90/445984390.db2.gz XZYHEZDKOXOWOQ-CQSZACIVSA-N 2 2 336.484 1.892 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOc2ccccc2)C[C@H]1C ZINC000354224022 446019489 /nfs/dbraw/zinc/01/94/89/446019489.db2.gz MTMUEVSMRKBWCT-IAGOWNOFSA-N 2 2 333.476 1.986 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOc2ccccc2)C[C@H]1C ZINC000354224022 446019497 /nfs/dbraw/zinc/01/94/97/446019497.db2.gz MTMUEVSMRKBWCT-IAGOWNOFSA-N 2 2 333.476 1.986 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCOc2ccccc2)C[C@H]1C ZINC000354224022 446019506 /nfs/dbraw/zinc/01/95/06/446019506.db2.gz MTMUEVSMRKBWCT-IAGOWNOFSA-N 2 2 333.476 1.986 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCOc2ccccc2)C[C@H]1C ZINC000354224022 446019517 /nfs/dbraw/zinc/01/95/17/446019517.db2.gz MTMUEVSMRKBWCT-IAGOWNOFSA-N 2 2 333.476 1.986 20 0 EDADLP CC(C)c1ncncc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274216 446041375 /nfs/dbraw/zinc/04/13/75/446041375.db2.gz NIVKLDRTZAGKFG-AWEZNQCLSA-N 2 2 331.464 1.498 20 0 EDADLP CC(C)c1ncncc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274216 446041379 /nfs/dbraw/zinc/04/13/79/446041379.db2.gz NIVKLDRTZAGKFG-AWEZNQCLSA-N 2 2 331.464 1.498 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(NC(N)=O)cc3)C2)CC1 ZINC000369277527 446043436 /nfs/dbraw/zinc/04/34/36/446043436.db2.gz MCMXCUIIQDNRGJ-HNNXBMFYSA-N 2 2 345.447 1.076 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(NC(N)=O)cc3)C2)CC1 ZINC000369277527 446043443 /nfs/dbraw/zinc/04/34/43/446043443.db2.gz MCMXCUIIQDNRGJ-HNNXBMFYSA-N 2 2 345.447 1.076 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000583066747 325990519 /nfs/dbraw/zinc/99/05/19/325990519.db2.gz PRTDDPALVRZLBZ-CYBMUJFWSA-N 2 2 329.404 1.216 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000583315860 326047362 /nfs/dbraw/zinc/04/73/62/326047362.db2.gz IMWUMFLIDTUBEB-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000583315860 326047366 /nfs/dbraw/zinc/04/73/66/326047366.db2.gz IMWUMFLIDTUBEB-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP Cc1cc(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000583928357 326166648 /nfs/dbraw/zinc/16/66/48/326166648.db2.gz VOOODSMOJYHAMF-HXUWFJFHSA-N 2 2 339.439 1.952 20 0 EDADLP Cc1cc(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000583928357 326166652 /nfs/dbraw/zinc/16/66/52/326166652.db2.gz VOOODSMOJYHAMF-HXUWFJFHSA-N 2 2 339.439 1.952 20 0 EDADLP Cn1nnc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc21 ZINC000583944952 326171410 /nfs/dbraw/zinc/17/14/10/326171410.db2.gz BOCJHIVYJCRQKP-MRXNPFEDSA-N 2 2 329.448 1.655 20 0 EDADLP Cn1nnc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc21 ZINC000583944952 326171412 /nfs/dbraw/zinc/17/14/12/326171412.db2.gz BOCJHIVYJCRQKP-MRXNPFEDSA-N 2 2 329.448 1.655 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584102188 326199618 /nfs/dbraw/zinc/19/96/18/326199618.db2.gz BLABYWABEIYUAT-ROUUACIJSA-N 2 2 346.475 1.186 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584102188 326199621 /nfs/dbraw/zinc/19/96/21/326199621.db2.gz BLABYWABEIYUAT-ROUUACIJSA-N 2 2 346.475 1.186 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000361929850 446078683 /nfs/dbraw/zinc/07/86/83/446078683.db2.gz SRELKFHHEYBICH-QRQLOZEOSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H](O)c1ccccc1 ZINC000361929850 446078691 /nfs/dbraw/zinc/07/86/91/446078691.db2.gz SRELKFHHEYBICH-QRQLOZEOSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000361929850 446078695 /nfs/dbraw/zinc/07/86/95/446078695.db2.gz SRELKFHHEYBICH-QRQLOZEOSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000361929850 446078704 /nfs/dbraw/zinc/07/87/04/446078704.db2.gz SRELKFHHEYBICH-QRQLOZEOSA-N 2 2 333.476 1.057 20 0 EDADLP C[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)CN1CCOCC1 ZINC000356864913 446079335 /nfs/dbraw/zinc/07/93/35/446079335.db2.gz CMCSPXJARLUDTR-AWEZNQCLSA-N 2 2 337.430 1.961 20 0 EDADLP CN(C(=O)/C=C/c1ccn(C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365213657 446082238 /nfs/dbraw/zinc/08/22/38/446082238.db2.gz IKMQDHJYUYNKQF-WRFKIARRSA-N 2 2 330.476 1.665 20 0 EDADLP CN(C(=O)/C=C/c1ccn(C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365213657 446082248 /nfs/dbraw/zinc/08/22/48/446082248.db2.gz IKMQDHJYUYNKQF-WRFKIARRSA-N 2 2 330.476 1.665 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1C1CC1 ZINC000365217823 446083631 /nfs/dbraw/zinc/08/36/31/446083631.db2.gz YBKZYPAUMFNBNT-JKIFEVAISA-N 2 2 330.432 1.870 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1C1CC1 ZINC000365217823 446083638 /nfs/dbraw/zinc/08/36/38/446083638.db2.gz YBKZYPAUMFNBNT-JKIFEVAISA-N 2 2 330.432 1.870 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)C1 ZINC000361939559 446089207 /nfs/dbraw/zinc/08/92/07/446089207.db2.gz NVGWHXNMSMQCGM-WOJBJXKFSA-N 2 2 347.503 1.232 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)C1 ZINC000361939559 446089210 /nfs/dbraw/zinc/08/92/10/446089210.db2.gz NVGWHXNMSMQCGM-WOJBJXKFSA-N 2 2 347.503 1.232 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CCSC2)([NH+]2CCCCC2)CC1 ZINC000354300064 446093137 /nfs/dbraw/zinc/09/31/37/446093137.db2.gz JVLUPBCJMHELLC-HNNXBMFYSA-N 2 2 325.522 1.806 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC([N@@H+](C)C[C@H](C)O)CC3)cc2n1C ZINC000356939540 446141899 /nfs/dbraw/zinc/14/18/99/446141899.db2.gz LERZYLOUOUJCTH-ZDUSSCGKSA-N 2 2 344.459 1.799 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC([N@H+](C)C[C@H](C)O)CC3)cc2n1C ZINC000356939540 446141904 /nfs/dbraw/zinc/14/19/04/446141904.db2.gz LERZYLOUOUJCTH-ZDUSSCGKSA-N 2 2 344.459 1.799 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365276416 446120217 /nfs/dbraw/zinc/12/02/17/446120217.db2.gz RJGDACUGWGTGDD-BBRMVZONSA-N 2 2 333.484 1.169 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365276416 446120221 /nfs/dbraw/zinc/12/02/21/446120221.db2.gz RJGDACUGWGTGDD-BBRMVZONSA-N 2 2 333.484 1.169 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@H]12 ZINC000351561587 446159945 /nfs/dbraw/zinc/15/99/45/446159945.db2.gz ZKDINJLCWAZJOS-FGTMMUONSA-N 2 2 329.444 1.328 20 0 EDADLP CO[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000369851362 446160787 /nfs/dbraw/zinc/16/07/87/446160787.db2.gz LXAGONLQNCDAIP-GOEBONIOSA-N 2 2 340.512 1.515 20 0 EDADLP CO[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)(C)C ZINC000369851362 446160791 /nfs/dbraw/zinc/16/07/91/446160791.db2.gz LXAGONLQNCDAIP-GOEBONIOSA-N 2 2 340.512 1.515 20 0 EDADLP CC[N@@H+]1CCCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000354393277 446173315 /nfs/dbraw/zinc/17/33/15/446173315.db2.gz OCGYNIZSAVXIDI-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP CC[N@H+]1CCCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000354393277 446173318 /nfs/dbraw/zinc/17/33/18/446173318.db2.gz OCGYNIZSAVXIDI-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP Cc1ccc(NCCCNC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)[nH+]c1 ZINC000370173020 446188880 /nfs/dbraw/zinc/18/88/80/446188880.db2.gz MDOGBPYXMGEZMI-OAHLLOKOSA-N 2 2 342.447 1.950 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317751 446145418 /nfs/dbraw/zinc/14/54/18/446145418.db2.gz YDKHCCSBGSVSRK-SDDRHHMPSA-N 2 2 325.359 1.766 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317751 446145419 /nfs/dbraw/zinc/14/54/19/446145419.db2.gz YDKHCCSBGSVSRK-SDDRHHMPSA-N 2 2 325.359 1.766 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000356955390 446156117 /nfs/dbraw/zinc/15/61/17/446156117.db2.gz QGJOPWHCQRTCTR-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000356955390 446156121 /nfs/dbraw/zinc/15/61/21/446156121.db2.gz QGJOPWHCQRTCTR-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP COC1(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CCOCC1 ZINC000365447107 446209933 /nfs/dbraw/zinc/20/99/33/446209933.db2.gz AONRGAVYKHHWMO-RDJZCZTQSA-N 2 2 336.480 1.588 20 0 EDADLP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CCOCC1 ZINC000365447107 446209935 /nfs/dbraw/zinc/20/99/35/446209935.db2.gz AONRGAVYKHHWMO-RDJZCZTQSA-N 2 2 336.480 1.588 20 0 EDADLP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000362105255 446215088 /nfs/dbraw/zinc/21/50/88/446215088.db2.gz GBRNCKCDRCXSAM-LJQANCHMSA-N 2 2 349.475 1.728 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000365459143 446217965 /nfs/dbraw/zinc/21/79/65/446217965.db2.gz LRGNLLGPXCCZQY-CVEARBPZSA-N 2 2 349.479 1.561 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000365459143 446217968 /nfs/dbraw/zinc/21/79/68/446217968.db2.gz LRGNLLGPXCCZQY-CVEARBPZSA-N 2 2 349.479 1.561 20 0 EDADLP CC[C@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CCOC ZINC000366444872 446217976 /nfs/dbraw/zinc/21/79/76/446217976.db2.gz WUDOMXZOYOZTGA-CVEARBPZSA-N 2 2 349.479 1.513 20 0 EDADLP CC[C@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC[N@H+]1CCOC ZINC000366444872 446217979 /nfs/dbraw/zinc/21/79/79/446217979.db2.gz WUDOMXZOYOZTGA-CVEARBPZSA-N 2 2 349.479 1.513 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[N@@H+]1C1CC1 ZINC000370328393 446232539 /nfs/dbraw/zinc/23/25/39/446232539.db2.gz ZWJFPMYJSBPSKH-UKRRQHHQSA-N 2 2 340.431 1.692 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C[N@H+]1C1CC1 ZINC000370328393 446232546 /nfs/dbraw/zinc/23/25/46/446232546.db2.gz ZWJFPMYJSBPSKH-UKRRQHHQSA-N 2 2 340.431 1.692 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3cnc4cnccn34)CCC[N@@H+]2C)cn1 ZINC000362154528 446239604 /nfs/dbraw/zinc/23/96/04/446239604.db2.gz IQDOMSNZVTWINX-KBXCAEBGSA-N 2 2 339.447 1.636 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3cnc4cnccn34)CCC[N@H+]2C)cn1 ZINC000362154528 446239610 /nfs/dbraw/zinc/23/96/10/446239610.db2.gz IQDOMSNZVTWINX-KBXCAEBGSA-N 2 2 339.447 1.636 20 0 EDADLP CO[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373503418 446240760 /nfs/dbraw/zinc/24/07/60/446240760.db2.gz CQVLJRBTEFBYIB-IXDOHACOSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373503418 446240764 /nfs/dbraw/zinc/24/07/64/446240764.db2.gz CQVLJRBTEFBYIB-IXDOHACOSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000362191189 446253470 /nfs/dbraw/zinc/25/34/70/446253470.db2.gz UFBISEWCZKBRMR-FUHWJXTLSA-N 2 2 331.460 1.613 20 0 EDADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000362191189 446253471 /nfs/dbraw/zinc/25/34/71/446253471.db2.gz UFBISEWCZKBRMR-FUHWJXTLSA-N 2 2 331.460 1.613 20 0 EDADLP CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)C1CC[NH+](CC)CC1)C(=O)OC ZINC000362190165 446253834 /nfs/dbraw/zinc/25/38/34/446253834.db2.gz ZRRLAELSHKFMGI-CZUORRHYSA-N 2 2 327.469 1.106 20 0 EDADLP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)C1CC[NH+](CC)CC1)C(=O)OC ZINC000362190165 446253838 /nfs/dbraw/zinc/25/38/38/446253838.db2.gz ZRRLAELSHKFMGI-CZUORRHYSA-N 2 2 327.469 1.106 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000366581349 446267447 /nfs/dbraw/zinc/26/74/47/446267447.db2.gz MQJLMKHIIMLDNG-JKSUJKDBSA-N 2 2 349.479 1.860 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000366581349 446267450 /nfs/dbraw/zinc/26/74/50/446267450.db2.gz MQJLMKHIIMLDNG-JKSUJKDBSA-N 2 2 349.479 1.860 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000373579968 446269268 /nfs/dbraw/zinc/26/92/68/446269268.db2.gz DXBFMHUQDHJFLU-GOSISDBHSA-N 2 2 337.508 1.726 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000373579968 446269270 /nfs/dbraw/zinc/26/92/70/446269270.db2.gz DXBFMHUQDHJFLU-GOSISDBHSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000366585902 446269639 /nfs/dbraw/zinc/26/96/39/446269639.db2.gz OEMKXNMICLFBFI-DOTOQJQBSA-N 2 2 326.481 1.492 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000366585902 446269641 /nfs/dbraw/zinc/26/96/41/446269641.db2.gz OEMKXNMICLFBFI-DOTOQJQBSA-N 2 2 326.481 1.492 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000362225125 446272468 /nfs/dbraw/zinc/27/24/68/446272468.db2.gz QMVPTKDHPNMAFR-INIZCTEOSA-N 2 2 342.443 1.973 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000362236345 446279384 /nfs/dbraw/zinc/27/93/84/446279384.db2.gz MFSLKMMFAQEMPO-UHFFFAOYSA-N 2 2 326.404 1.328 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000362236345 446279389 /nfs/dbraw/zinc/27/93/89/446279389.db2.gz MFSLKMMFAQEMPO-UHFFFAOYSA-N 2 2 326.404 1.328 20 0 EDADLP C[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCC1)[NH+]1CCSCC1 ZINC000366649189 446293740 /nfs/dbraw/zinc/29/37/40/446293740.db2.gz CZCOVSBWKMDHDS-HNNXBMFYSA-N 2 2 341.521 1.185 20 0 EDADLP CC(C)(C)CN1CCC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000359595408 446310735 /nfs/dbraw/zinc/31/07/35/446310735.db2.gz FUTUTFFSEYTZMB-DLBZAZTESA-N 2 2 337.508 1.678 20 0 EDADLP CC(C)(C)CN1CCC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000359595408 446310742 /nfs/dbraw/zinc/31/07/42/446310742.db2.gz FUTUTFFSEYTZMB-DLBZAZTESA-N 2 2 337.508 1.678 20 0 EDADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)C1 ZINC000365799656 446348491 /nfs/dbraw/zinc/34/84/91/446348491.db2.gz NNLUVEMCVBOZJO-XDNAFOTISA-N 2 2 337.508 1.412 20 0 EDADLP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)C1 ZINC000365799656 446348495 /nfs/dbraw/zinc/34/84/95/446348495.db2.gz NNLUVEMCVBOZJO-XDNAFOTISA-N 2 2 337.508 1.412 20 0 EDADLP Cc1[nH+]c(CNC(=O)CCCC[NH+]2CCOCC2)c2n1CCCC2 ZINC000362272800 446297501 /nfs/dbraw/zinc/29/75/01/446297501.db2.gz JUJFWHHWERHOJS-UHFFFAOYSA-N 2 2 334.464 1.647 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000417954145 446398807 /nfs/dbraw/zinc/39/88/07/446398807.db2.gz OYYGWLAUBIQUEP-WQVCFCJDSA-N 2 2 338.402 1.713 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000417954145 446398809 /nfs/dbraw/zinc/39/88/09/446398809.db2.gz OYYGWLAUBIQUEP-WQVCFCJDSA-N 2 2 338.402 1.713 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000376152199 446357179 /nfs/dbraw/zinc/35/71/79/446357179.db2.gz SWHJRUGDTDWUNV-IEBWSBKVSA-N 2 2 331.460 1.349 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000376152199 446357182 /nfs/dbraw/zinc/35/71/82/446357182.db2.gz SWHJRUGDTDWUNV-IEBWSBKVSA-N 2 2 331.460 1.349 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000417773131 446373351 /nfs/dbraw/zinc/37/33/51/446373351.db2.gz WERIUDZNYYUZST-INIZCTEOSA-N 3 2 339.528 1.091 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000417959590 446400660 /nfs/dbraw/zinc/40/06/60/446400660.db2.gz WNLWUXFPKAWKPS-KNXALSJPSA-N 2 2 338.402 1.713 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000417959590 446400664 /nfs/dbraw/zinc/40/06/64/446400664.db2.gz WNLWUXFPKAWKPS-KNXALSJPSA-N 2 2 338.402 1.713 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417960457 446400673 /nfs/dbraw/zinc/40/06/73/446400673.db2.gz XQLHFBYNSMUYMH-VCTAVGKDSA-N 2 2 326.391 1.699 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417960457 446400676 /nfs/dbraw/zinc/40/06/76/446400676.db2.gz XQLHFBYNSMUYMH-VCTAVGKDSA-N 2 2 326.391 1.699 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1F ZINC000417936972 446392557 /nfs/dbraw/zinc/39/25/57/446392557.db2.gz RUVRJQLSEFENFK-KRWDZBQOSA-N 2 2 340.418 1.730 20 0 EDADLP COCC1(CNc2cc(C)[nH+]c(-c3ccncc3)n2)CC[NH2+]CC1 ZINC000420249093 446432135 /nfs/dbraw/zinc/43/21/35/446432135.db2.gz XJZVJJMVYXTHEG-UHFFFAOYSA-N 2 2 327.432 1.697 20 0 EDADLP CC[C@H]([NH2+]CCn1cc(Br)ccc1=O)[C@@H]1CCC[NH2+]1 ZINC000423144530 446439928 /nfs/dbraw/zinc/43/99/28/446439928.db2.gz HIMLECFBNXJRDD-STQMWFEESA-N 2 2 328.254 1.731 20 0 EDADLP CC(C)c1nc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)nc(N(C)C)[nH+]1 ZINC000420273822 446442839 /nfs/dbraw/zinc/44/28/39/446442839.db2.gz DJEPVSYBIUAWFV-GJZGRUSLSA-N 2 2 348.495 1.784 20 0 EDADLP CC(C)c1nc(N(C)C)nc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)[nH+]1 ZINC000420273822 446442845 /nfs/dbraw/zinc/44/28/45/446442845.db2.gz DJEPVSYBIUAWFV-GJZGRUSLSA-N 2 2 348.495 1.784 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCCN(c3cc(C(F)(F)F)cc[nH+]3)C2)nn1 ZINC000420271576 446442974 /nfs/dbraw/zinc/44/29/74/446442974.db2.gz BFMOYMOUBBJUNH-GFCCVEGCSA-N 2 2 326.326 1.992 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@@H]3CC[NH2+]CC3(F)F)[nH+]cn2)C1 ZINC000420273745 446443424 /nfs/dbraw/zinc/44/34/24/446443424.db2.gz FGSDCGLEFAAKAC-OLZOCXBDSA-N 2 2 341.406 1.342 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@@H]3CC[NH2+]CC3(F)F)nc[nH+]2)C1 ZINC000420273745 446443431 /nfs/dbraw/zinc/44/34/31/446443431.db2.gz FGSDCGLEFAAKAC-OLZOCXBDSA-N 2 2 341.406 1.342 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NC[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000370750351 446415801 /nfs/dbraw/zinc/41/58/01/446415801.db2.gz PUODJQUUAVNTMO-INIZCTEOSA-N 2 2 329.448 2.344 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000370750351 446415805 /nfs/dbraw/zinc/41/58/05/446415805.db2.gz PUODJQUUAVNTMO-INIZCTEOSA-N 2 2 329.448 2.344 20 0 EDADLP CC(C)(C(=O)NCC1(C)C[NH+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000374916639 446457228 /nfs/dbraw/zinc/45/72/28/446457228.db2.gz SMSXKDHDZYVSRY-UHFFFAOYSA-N 2 2 345.487 1.736 20 0 EDADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000423221885 446457311 /nfs/dbraw/zinc/45/73/11/446457311.db2.gz YPBNYYLXOOYAHT-UONOGXRCSA-N 2 2 335.452 1.295 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420298403 446461265 /nfs/dbraw/zinc/46/12/65/446461265.db2.gz ZZWZEFIKIHYMMB-UONOGXRCSA-N 2 2 333.432 1.495 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420298403 446461267 /nfs/dbraw/zinc/46/12/67/446461267.db2.gz ZZWZEFIKIHYMMB-UONOGXRCSA-N 2 2 333.432 1.495 20 0 EDADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370845380 446477397 /nfs/dbraw/zinc/47/73/97/446477397.db2.gz URHRLBZITVRYGS-HNNXBMFYSA-N 2 2 347.507 1.948 20 0 EDADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370845380 446477403 /nfs/dbraw/zinc/47/74/03/446477403.db2.gz URHRLBZITVRYGS-HNNXBMFYSA-N 2 2 347.507 1.948 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000420315158 446479581 /nfs/dbraw/zinc/47/95/81/446479581.db2.gz WMZRWRVQRGABEM-RYUDHWBXSA-N 2 2 339.461 1.841 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000420315158 446479588 /nfs/dbraw/zinc/47/95/88/446479588.db2.gz WMZRWRVQRGABEM-RYUDHWBXSA-N 2 2 339.461 1.841 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420314998 446480639 /nfs/dbraw/zinc/48/06/39/446480639.db2.gz RIVLMVXLADQDKO-ZWKOTPCHSA-N 3 2 332.492 1.479 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420314998 446480642 /nfs/dbraw/zinc/48/06/42/446480642.db2.gz RIVLMVXLADQDKO-ZWKOTPCHSA-N 3 2 332.492 1.479 20 0 EDADLP CCn1c2nnc(C[NH2+][C@](C)(C[NH3+])C(C)C)n2c2ccccc2c1=O ZINC000420321792 446487413 /nfs/dbraw/zinc/48/74/13/446487413.db2.gz RUUUGCUNBMEIHH-GOSISDBHSA-N 2 2 342.447 1.527 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)[NH+]1CCOCC1 ZINC000423333324 446491614 /nfs/dbraw/zinc/49/16/14/446491614.db2.gz VVRMAECVERDYJN-LSDHHAIUSA-N 2 2 340.493 1.396 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c[nH+]1 ZINC000423334954 446492469 /nfs/dbraw/zinc/49/24/69/446492469.db2.gz SYBALBVVHJEBPU-OAHLLOKOSA-N 2 2 328.420 1.199 20 0 EDADLP C[N@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000420335232 446504498 /nfs/dbraw/zinc/50/44/98/446504498.db2.gz PLQVSJRCZLNUAE-UHFFFAOYSA-N 2 2 345.365 1.665 20 0 EDADLP C[N@@H+](CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C1CC([NH3+])C1 ZINC000420335232 446504506 /nfs/dbraw/zinc/50/45/06/446504506.db2.gz PLQVSJRCZLNUAE-UHFFFAOYSA-N 2 2 345.365 1.665 20 0 EDADLP O[C@@H](COCC(F)(F)F)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432796181 446507395 /nfs/dbraw/zinc/50/73/95/446507395.db2.gz ZXYGTGTVKVCBSC-QWHCGFSZSA-N 2 2 347.381 1.949 20 0 EDADLP O[C@@H](COCC(F)(F)F)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432796181 446507404 /nfs/dbraw/zinc/50/74/04/446507404.db2.gz ZXYGTGTVKVCBSC-QWHCGFSZSA-N 2 2 347.381 1.949 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423376324 446509048 /nfs/dbraw/zinc/50/90/48/446509048.db2.gz UYTXXFUTLQALCL-KFNAQCHYSA-N 2 2 325.403 1.867 20 0 EDADLP CCCCNc1cc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)nc(N)[nH+]1 ZINC000376464680 446513086 /nfs/dbraw/zinc/51/30/86/446513086.db2.gz TWNNOKSPUXZLMK-HUUCEWRRSA-N 2 2 348.495 1.696 20 0 EDADLP CCCCNc1cc(N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)nc(N)[nH+]1 ZINC000376464680 446513089 /nfs/dbraw/zinc/51/30/89/446513089.db2.gz TWNNOKSPUXZLMK-HUUCEWRRSA-N 2 2 348.495 1.696 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC2(C[NH3+])CC2)[NH+]2CCOCC2)cc1 ZINC000423361567 446499474 /nfs/dbraw/zinc/49/94/74/446499474.db2.gz XCWPTEYWOXXQQX-QGZVFWFLSA-N 2 2 331.460 1.614 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000420389106 446565324 /nfs/dbraw/zinc/56/53/24/446565324.db2.gz LXQIIJNRTRHXMT-KRWDZBQOSA-N 2 2 333.476 1.320 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000420389106 446565328 /nfs/dbraw/zinc/56/53/28/446565328.db2.gz LXQIIJNRTRHXMT-KRWDZBQOSA-N 2 2 333.476 1.320 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420391326 446566454 /nfs/dbraw/zinc/56/64/54/446566454.db2.gz APTXWFQAUUVAGM-YOEHRIQHSA-N 2 2 333.476 1.715 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420391326 446566464 /nfs/dbraw/zinc/56/64/64/446566464.db2.gz APTXWFQAUUVAGM-YOEHRIQHSA-N 2 2 333.476 1.715 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(F)c1 ZINC000420349286 446525466 /nfs/dbraw/zinc/52/54/66/446525466.db2.gz OHZWKRUKVDVKAQ-LSDHHAIUSA-N 2 2 334.439 1.441 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(F)c1 ZINC000420349286 446525470 /nfs/dbraw/zinc/52/54/70/446525470.db2.gz OHZWKRUKVDVKAQ-LSDHHAIUSA-N 2 2 334.439 1.441 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCC(C)(C)[NH3+] ZINC000418437594 446541870 /nfs/dbraw/zinc/54/18/70/446541870.db2.gz YMIDJLDDTYMDSD-ZDUSSCGKSA-N 2 2 340.493 1.500 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)cc1 ZINC000420363578 446543446 /nfs/dbraw/zinc/54/34/46/446543446.db2.gz BPBCFXXOEUNEPO-DOTOQJQBSA-N 2 2 345.447 1.418 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)cc1 ZINC000420363578 446543450 /nfs/dbraw/zinc/54/34/50/446543450.db2.gz BPBCFXXOEUNEPO-DOTOQJQBSA-N 2 2 345.447 1.418 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)CC2)c1 ZINC000420363992 446544673 /nfs/dbraw/zinc/54/46/73/446544673.db2.gz ONGWTXCNHFETRY-QGZVFWFLSA-N 2 2 332.492 1.607 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCCOc1ccccc1F ZINC000420367956 446546813 /nfs/dbraw/zinc/54/68/13/446546813.db2.gz KCJUQUZFBVMLPT-LJQANCHMSA-N 2 2 349.450 1.786 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCCOc1ccccc1F ZINC000420367956 446546820 /nfs/dbraw/zinc/54/68/20/446546820.db2.gz KCJUQUZFBVMLPT-LJQANCHMSA-N 2 2 349.450 1.786 20 0 EDADLP [NH3+]C[C@@H]([NH2+]CC(=O)NCCOc1cccc(F)c1)C1CCCCC1 ZINC000420371437 446548007 /nfs/dbraw/zinc/54/80/07/446548007.db2.gz PKYIGWWKAWGKIG-QGZVFWFLSA-N 2 2 337.439 1.818 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)c2ccccc21 ZINC000423498160 446554786 /nfs/dbraw/zinc/55/47/86/446554786.db2.gz BLVFFPSANULKSS-ZTFGCOKTSA-N 2 2 331.460 1.661 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423498358 446555309 /nfs/dbraw/zinc/55/53/09/446555309.db2.gz BQUBCRLZSMECSM-FUHWJXTLSA-N 2 2 325.460 1.743 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H](C)C[NH3+])on1 ZINC000418471100 446556545 /nfs/dbraw/zinc/55/65/45/446556545.db2.gz LXOCNJKERFMSJX-XBFCOCLRSA-N 2 2 341.431 1.132 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@H](C)C[NH3+])on1 ZINC000418471100 446556553 /nfs/dbraw/zinc/55/65/53/446556553.db2.gz LXOCNJKERFMSJX-XBFCOCLRSA-N 2 2 341.431 1.132 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418470253 446557099 /nfs/dbraw/zinc/55/70/99/446557099.db2.gz LGYHRCYMODLAQS-PVAVHDDUSA-N 2 2 334.464 1.295 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418470253 446557104 /nfs/dbraw/zinc/55/71/04/446557104.db2.gz LGYHRCYMODLAQS-PVAVHDDUSA-N 2 2 334.464 1.295 20 0 EDADLP CS[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1[NH+]1CCCC1 ZINC000433783563 446598999 /nfs/dbraw/zinc/59/89/99/446598999.db2.gz PROLHSPAOSNCBR-GJZGRUSLSA-N 2 2 349.504 1.329 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)[nH+]1 ZINC000411562828 446602725 /nfs/dbraw/zinc/60/27/25/446602725.db2.gz PPDHMMPYPXEEHR-IBGZPJMESA-N 2 2 344.459 1.890 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)[nH+]1 ZINC000411562828 446602730 /nfs/dbraw/zinc/60/27/30/446602730.db2.gz PPDHMMPYPXEEHR-IBGZPJMESA-N 2 2 344.459 1.890 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC[NH2+]1 ZINC000418592705 446606442 /nfs/dbraw/zinc/60/64/42/446606442.db2.gz DKROWAKWGSDOHE-PBHICJAKSA-N 2 2 334.439 1.793 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000375258072 446676167 /nfs/dbraw/zinc/67/61/67/446676167.db2.gz KNZKKQYBVVSUJQ-QBPKDAKJSA-N 2 2 330.476 1.999 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000375258072 446676170 /nfs/dbraw/zinc/67/61/70/446676170.db2.gz KNZKKQYBVVSUJQ-QBPKDAKJSA-N 2 2 330.476 1.999 20 0 EDADLP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000368100802 446642445 /nfs/dbraw/zinc/64/24/45/446642445.db2.gz WIEWBMIPKBLZHV-PBHICJAKSA-N 2 2 332.448 1.330 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368105039 446645175 /nfs/dbraw/zinc/64/51/75/446645175.db2.gz NFXUGAOOCNMVKU-OLZOCXBDSA-N 2 2 338.411 1.931 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368105039 446645179 /nfs/dbraw/zinc/64/51/79/446645179.db2.gz NFXUGAOOCNMVKU-OLZOCXBDSA-N 2 2 338.411 1.931 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376713216 446669828 /nfs/dbraw/zinc/66/98/28/446669828.db2.gz UWBRXLHCLPTZMP-BSDSXHPESA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376713216 446669835 /nfs/dbraw/zinc/66/98/35/446669835.db2.gz UWBRXLHCLPTZMP-BSDSXHPESA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376713216 446669839 /nfs/dbraw/zinc/66/98/39/446669839.db2.gz UWBRXLHCLPTZMP-BSDSXHPESA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376713216 446669845 /nfs/dbraw/zinc/66/98/45/446669845.db2.gz UWBRXLHCLPTZMP-BSDSXHPESA-N 2 2 335.492 1.430 20 0 EDADLP CN(C(=O)c1conc1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368150321 446671444 /nfs/dbraw/zinc/67/14/44/446671444.db2.gz FJUXEZQXDWFVLY-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP CN(C(=O)c1conc1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368150321 446671446 /nfs/dbraw/zinc/67/14/46/446671446.db2.gz FJUXEZQXDWFVLY-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP COC[C@]1(CNC(=O)NCCCCNc2cccc[nH+]2)CCC[NH2+]1 ZINC000418628733 446621569 /nfs/dbraw/zinc/62/15/69/446621569.db2.gz CNUAZJSLRJXIDM-QGZVFWFLSA-N 2 2 335.452 1.342 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418637723 446629039 /nfs/dbraw/zinc/62/90/39/446629039.db2.gz NXLUHJIXRMHWKE-DZGCQCFKSA-N 2 2 338.402 1.417 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376736812 446686222 /nfs/dbraw/zinc/68/62/22/446686222.db2.gz NGKCNCVXEJTCQB-OAHLLOKOSA-N 2 2 334.464 1.552 20 0 EDADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376736812 446686227 /nfs/dbraw/zinc/68/62/27/446686227.db2.gz NGKCNCVXEJTCQB-OAHLLOKOSA-N 2 2 334.464 1.552 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423835072 446723453 /nfs/dbraw/zinc/72/34/53/446723453.db2.gz DUHUYILLMQDTQC-QGZVFWFLSA-N 2 2 344.459 1.431 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000376800897 446727346 /nfs/dbraw/zinc/72/73/46/446727346.db2.gz DKNPEAYRTJEKCC-DOTOQJQBSA-N 2 2 335.448 1.642 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000376800897 446727351 /nfs/dbraw/zinc/72/73/51/446727351.db2.gz DKNPEAYRTJEKCC-DOTOQJQBSA-N 2 2 335.448 1.642 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000423748986 446678249 /nfs/dbraw/zinc/67/82/49/446678249.db2.gz VFDLEZJBRWOHQS-OAHLLOKOSA-N 2 2 336.505 1.956 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000423748986 446678255 /nfs/dbraw/zinc/67/82/55/446678255.db2.gz VFDLEZJBRWOHQS-OAHLLOKOSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCc1ccccc1 ZINC000371301827 446757100 /nfs/dbraw/zinc/75/71/00/446757100.db2.gz WMYRTNXQMUWBFP-SQNIBIBYSA-N 2 2 331.460 1.486 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCc1ccccc1 ZINC000371301827 446757103 /nfs/dbraw/zinc/75/71/03/446757103.db2.gz WMYRTNXQMUWBFP-SQNIBIBYSA-N 2 2 331.460 1.486 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423911687 446760768 /nfs/dbraw/zinc/76/07/68/446760768.db2.gz HLAAKTFXOSSBDU-JYILRKAJSA-N 2 2 326.416 1.303 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423911687 446760771 /nfs/dbraw/zinc/76/07/71/446760771.db2.gz HLAAKTFXOSSBDU-JYILRKAJSA-N 2 2 326.416 1.303 20 0 EDADLP c1ccc2oc(C[NH+]3CCN(CC[N@@H+]4CCCOCC4)CC3)nc2c1 ZINC000375395770 446771708 /nfs/dbraw/zinc/77/17/08/446771708.db2.gz SYMKWZPIWJQUOH-UHFFFAOYSA-N 2 2 344.459 1.668 20 0 EDADLP c1ccc2oc(C[NH+]3CCN(CC[N@H+]4CCCOCC4)CC3)nc2c1 ZINC000375395770 446771713 /nfs/dbraw/zinc/77/17/13/446771713.db2.gz SYMKWZPIWJQUOH-UHFFFAOYSA-N 2 2 344.459 1.668 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000423925015 446775535 /nfs/dbraw/zinc/77/55/35/446775535.db2.gz ZUFYEJJEQBEYQR-RDBSUJKOSA-N 2 2 325.453 1.776 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000423925015 446775540 /nfs/dbraw/zinc/77/55/40/446775540.db2.gz ZUFYEJJEQBEYQR-RDBSUJKOSA-N 2 2 325.453 1.776 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000423930588 446782465 /nfs/dbraw/zinc/78/24/65/446782465.db2.gz OMIFDGUSNFXPOL-CABCVRRESA-N 2 2 344.459 1.517 20 0 EDADLP CCCCOC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371340206 446788242 /nfs/dbraw/zinc/78/82/42/446788242.db2.gz CCKXPJNJFTUZIO-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000376915078 446794590 /nfs/dbraw/zinc/79/45/90/446794590.db2.gz AXMCFTJMJDHMKY-KRWDZBQOSA-N 2 2 348.495 1.672 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000423989456 446809736 /nfs/dbraw/zinc/80/97/36/446809736.db2.gz GSEKRCXMRRXZMW-QFBILLFUSA-N 2 2 339.443 1.383 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000423989456 446809739 /nfs/dbraw/zinc/80/97/39/446809739.db2.gz GSEKRCXMRRXZMW-QFBILLFUSA-N 2 2 339.443 1.383 20 0 EDADLP C[C@@H]1[C@H](CO)CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000412089916 446849848 /nfs/dbraw/zinc/84/98/48/446849848.db2.gz PZBZGZAXOPVVQV-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H]1[C@H](CO)CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000412089916 446849850 /nfs/dbraw/zinc/84/98/50/446849850.db2.gz PZBZGZAXOPVVQV-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCOC ZINC000368384567 446827258 /nfs/dbraw/zinc/82/72/58/446827258.db2.gz WMLFDBDVUBVQNJ-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCOC ZINC000368384567 446827263 /nfs/dbraw/zinc/82/72/63/446827263.db2.gz WMLFDBDVUBVQNJ-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000412041339 446804221 /nfs/dbraw/zinc/80/42/21/446804221.db2.gz LDJCACRNDDQXTF-YQVWRLOYSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000412041339 446804227 /nfs/dbraw/zinc/80/42/27/446804227.db2.gz LDJCACRNDDQXTF-YQVWRLOYSA-N 2 2 345.487 1.595 20 0 EDADLP COCC1(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CCOCC1 ZINC000368352703 446805203 /nfs/dbraw/zinc/80/52/03/446805203.db2.gz VUZWEYFZTUFYRG-UHFFFAOYSA-N 2 2 342.480 1.437 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000376936199 446807680 /nfs/dbraw/zinc/80/76/80/446807680.db2.gz XWDIETMDXRNSJH-KRWDZBQOSA-N 2 2 334.464 1.645 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000376936199 446807684 /nfs/dbraw/zinc/80/76/84/446807684.db2.gz XWDIETMDXRNSJH-KRWDZBQOSA-N 2 2 334.464 1.645 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000418999504 446856355 /nfs/dbraw/zinc/85/63/55/446856355.db2.gz JDVLJHUYWDTOIO-CVEARBPZSA-N 2 2 346.475 1.405 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000418999504 446856365 /nfs/dbraw/zinc/85/63/65/446856365.db2.gz JDVLJHUYWDTOIO-CVEARBPZSA-N 2 2 346.475 1.405 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000419008704 446863485 /nfs/dbraw/zinc/86/34/85/446863485.db2.gz UMWKWTAMOSTBLB-RDJZCZTQSA-N 2 2 346.475 1.276 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000419008704 446863493 /nfs/dbraw/zinc/86/34/93/446863493.db2.gz UMWKWTAMOSTBLB-RDJZCZTQSA-N 2 2 346.475 1.276 20 0 EDADLP Cn1c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2sc1=O ZINC000368440773 446864747 /nfs/dbraw/zinc/86/47/47/446864747.db2.gz HLXOVYNPYBCEBM-KGLIPLIRSA-N 2 2 333.457 1.553 20 0 EDADLP Cn1c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2sc1=O ZINC000368440773 446864753 /nfs/dbraw/zinc/86/47/53/446864753.db2.gz HLXOVYNPYBCEBM-KGLIPLIRSA-N 2 2 333.457 1.553 20 0 EDADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412147006 446880020 /nfs/dbraw/zinc/88/00/20/446880020.db2.gz GEDLUTFCIRONPK-XWTMOSNGSA-N 2 2 337.508 1.961 20 0 EDADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412147006 446880024 /nfs/dbraw/zinc/88/00/24/446880024.db2.gz GEDLUTFCIRONPK-XWTMOSNGSA-N 2 2 337.508 1.961 20 0 EDADLP OCCO[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420911898 446884298 /nfs/dbraw/zinc/88/42/98/446884298.db2.gz GSWHSNRHAPFBFR-IBGZPJMESA-N 2 2 334.460 1.492 20 0 EDADLP OCCO[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420911898 446884300 /nfs/dbraw/zinc/88/43/00/446884300.db2.gz GSWHSNRHAPFBFR-IBGZPJMESA-N 2 2 334.460 1.492 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420914840 446885866 /nfs/dbraw/zinc/88/58/66/446885866.db2.gz KLERCOJARFMLFL-MSOLQXFVSA-N 2 2 329.444 1.372 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420914840 446885871 /nfs/dbraw/zinc/88/58/71/446885871.db2.gz KLERCOJARFMLFL-MSOLQXFVSA-N 2 2 329.444 1.372 20 0 EDADLP CC(C)OC[C@@H](CO)[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919706 446888631 /nfs/dbraw/zinc/88/86/31/446888631.db2.gz IFHFWSSJDBWOFX-LJQANCHMSA-N 2 2 336.476 1.737 20 0 EDADLP CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919706 446888641 /nfs/dbraw/zinc/88/86/41/446888641.db2.gz IFHFWSSJDBWOFX-LJQANCHMSA-N 2 2 336.476 1.737 20 0 EDADLP O=C1C[C@@]2(CN1)CCC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420932102 446904586 /nfs/dbraw/zinc/90/45/86/446904586.db2.gz HGAIFIFQJISBJH-HXUWFJFHSA-N 2 2 343.471 1.621 20 0 EDADLP O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000420932102 446904591 /nfs/dbraw/zinc/90/45/91/446904591.db2.gz HGAIFIFQJISBJH-HXUWFJFHSA-N 2 2 343.471 1.621 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)oc1C ZINC000368521191 446917427 /nfs/dbraw/zinc/91/74/27/446917427.db2.gz CGIXCCHVVOIJIV-RDJZCZTQSA-N 2 2 349.475 1.870 20 0 EDADLP CC1=CCC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000368530877 446925435 /nfs/dbraw/zinc/92/54/35/446925435.db2.gz QRPZOVMYANDGJV-UHFFFAOYSA-N 2 2 335.492 1.790 20 0 EDADLP CC1=CCC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000368530877 446925437 /nfs/dbraw/zinc/92/54/37/446925437.db2.gz QRPZOVMYANDGJV-UHFFFAOYSA-N 2 2 335.492 1.790 20 0 EDADLP C[C@@H](CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)n1cccn1 ZINC000424761202 446930770 /nfs/dbraw/zinc/93/07/70/446930770.db2.gz JFKFCGYJTKZQMF-JKSUJKDBSA-N 2 2 333.480 1.461 20 0 EDADLP C[C@@H](CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)n1cccn1 ZINC000424761202 446930775 /nfs/dbraw/zinc/93/07/75/446930775.db2.gz JFKFCGYJTKZQMF-JKSUJKDBSA-N 2 2 333.480 1.461 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442798481 446972467 /nfs/dbraw/zinc/97/24/67/446972467.db2.gz XZLUNQWHNZWNQB-DRFQVBMSSA-N 2 2 336.480 1.606 20 0 EDADLP COc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000442765525 446957316 /nfs/dbraw/zinc/95/73/16/446957316.db2.gz ICLHCAMPMDMSJR-PBWFPOADSA-N 2 2 333.432 1.857 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000442765525 446957318 /nfs/dbraw/zinc/95/73/18/446957318.db2.gz ICLHCAMPMDMSJR-PBWFPOADSA-N 2 2 333.432 1.857 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442798481 446972460 /nfs/dbraw/zinc/97/24/60/446972460.db2.gz XZLUNQWHNZWNQB-DRFQVBMSSA-N 2 2 336.480 1.606 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000442821311 446978953 /nfs/dbraw/zinc/97/89/53/446978953.db2.gz UWRKTZQYPDKLJN-AWEZNQCLSA-N 2 2 335.452 1.404 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000442821311 446978957 /nfs/dbraw/zinc/97/89/57/446978957.db2.gz UWRKTZQYPDKLJN-AWEZNQCLSA-N 2 2 335.452 1.404 20 0 EDADLP CCCCCC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000377188233 446980188 /nfs/dbraw/zinc/98/01/88/446980188.db2.gz JWODPGWGYRDPDN-SJORKVTESA-N 2 2 325.497 1.556 20 0 EDADLP CCCCCC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000377188233 446980194 /nfs/dbraw/zinc/98/01/94/446980194.db2.gz JWODPGWGYRDPDN-SJORKVTESA-N 2 2 325.497 1.556 20 0 EDADLP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000443060125 447002205 /nfs/dbraw/zinc/00/22/05/447002205.db2.gz OESXMAIPDKLLIC-LJQANCHMSA-N 3 2 344.503 1.392 20 0 EDADLP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000443060125 447002210 /nfs/dbraw/zinc/00/22/10/447002210.db2.gz OESXMAIPDKLLIC-LJQANCHMSA-N 3 2 344.503 1.392 20 0 EDADLP CN(C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000375780734 447042702 /nfs/dbraw/zinc/04/27/02/447042702.db2.gz QEHJCKHRPPXYHB-KBXCAEBGSA-N 2 2 333.480 1.356 20 0 EDADLP CN(C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000375780734 447042707 /nfs/dbraw/zinc/04/27/07/447042707.db2.gz QEHJCKHRPPXYHB-KBXCAEBGSA-N 2 2 333.480 1.356 20 0 EDADLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000375780734 447042709 /nfs/dbraw/zinc/04/27/09/447042709.db2.gz QEHJCKHRPPXYHB-KBXCAEBGSA-N 2 2 333.480 1.356 20 0 EDADLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000375780734 447042712 /nfs/dbraw/zinc/04/27/12/447042712.db2.gz QEHJCKHRPPXYHB-KBXCAEBGSA-N 2 2 333.480 1.356 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413179634 447053134 /nfs/dbraw/zinc/05/31/34/447053134.db2.gz VATGJTFQFKYGOZ-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413179634 447053140 /nfs/dbraw/zinc/05/31/40/447053140.db2.gz VATGJTFQFKYGOZ-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)NCCCC[NH+]1CCCC1 ZINC000372440855 447059153 /nfs/dbraw/zinc/05/91/53/447059153.db2.gz SBPGMJMHCJEZSA-INIZCTEOSA-N 2 2 333.480 1.963 20 0 EDADLP COCC[NH+]1[C@@H](C)CN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@@H]1C ZINC000377334135 447073332 /nfs/dbraw/zinc/07/33/32/447073332.db2.gz AMAONVFYCPPVJG-GJZGRUSLSA-N 2 2 349.479 1.470 20 0 EDADLP Cc1cnccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372486636 447082321 /nfs/dbraw/zinc/08/23/21/447082321.db2.gz XTBOHPBBUOFSHD-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1cnccc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372486636 447082325 /nfs/dbraw/zinc/08/23/25/447082325.db2.gz XTBOHPBBUOFSHD-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1nnc2n1C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccn3)C[C@@H]1C)CC2 ZINC000375850662 447098765 /nfs/dbraw/zinc/09/87/65/447098765.db2.gz PYEOYHSBQQEMCT-BMGDILEWSA-N 2 2 340.475 1.797 20 0 EDADLP Cc1nnc2n1C[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccn3)C[C@@H]1C)CC2 ZINC000375850662 447098772 /nfs/dbraw/zinc/09/87/72/447098772.db2.gz PYEOYHSBQQEMCT-BMGDILEWSA-N 2 2 340.475 1.797 20 0 EDADLP C[N@@H+]([C@H]1CCN(C(C)(C)C)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000425400366 447143769 /nfs/dbraw/zinc/14/37/69/447143769.db2.gz XLZUCBWRWNXZSW-KRWDZBQOSA-N 2 2 347.507 1.679 20 0 EDADLP CN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000368858835 447163745 /nfs/dbraw/zinc/16/37/45/447163745.db2.gz CGPLPHDQKYVAQH-UHFFFAOYSA-N 2 2 327.432 1.791 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@@H]1C ZINC000375963337 447178201 /nfs/dbraw/zinc/17/82/01/447178201.db2.gz SYVRALSCRRBYLN-JKSUJKDBSA-N 2 2 349.479 1.513 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@@H]1C ZINC000375963337 447178209 /nfs/dbraw/zinc/17/82/09/447178209.db2.gz SYVRALSCRRBYLN-JKSUJKDBSA-N 2 2 349.479 1.513 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CSCCS3)C2)CC1 ZINC000372724638 447248110 /nfs/dbraw/zinc/24/81/10/447248110.db2.gz FQNMIWAPKQNKOG-UKRRQHHQSA-N 2 2 343.562 1.510 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]3CSCCS3)C2)CC1 ZINC000372724638 447248116 /nfs/dbraw/zinc/24/81/16/447248116.db2.gz FQNMIWAPKQNKOG-UKRRQHHQSA-N 2 2 343.562 1.510 20 0 EDADLP COC(=O)c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cn1C ZINC000377623008 447249923 /nfs/dbraw/zinc/24/99/23/447249923.db2.gz YZTPYBLUOYTPEW-UHFFFAOYSA-N 2 2 325.372 1.682 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)n1C ZINC000414392051 447293592 /nfs/dbraw/zinc/29/35/92/447293592.db2.gz LYBDEWLFGGGGCA-HUUCEWRRSA-N 2 2 338.402 1.813 20 0 EDADLP COC(=O)[C@H](C(OC)OC)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000376093079 447264032 /nfs/dbraw/zinc/26/40/32/447264032.db2.gz HLBXLAGEJMFPDL-ZIAGYGMSSA-N 2 2 339.436 1.631 20 0 EDADLP COC(=O)[C@H](C(OC)OC)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000376093079 447264037 /nfs/dbraw/zinc/26/40/37/447264037.db2.gz HLBXLAGEJMFPDL-ZIAGYGMSSA-N 2 2 339.436 1.631 20 0 EDADLP COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372778289 447282572 /nfs/dbraw/zinc/28/25/72/447282572.db2.gz BOEFFMLXEJWSGC-WOJBJXKFSA-N 2 2 347.503 1.240 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426869045 447509931 /nfs/dbraw/zinc/50/99/31/447509931.db2.gz NFFCDBBYTQSSAL-CRAIPNDOSA-N 2 2 328.460 1.914 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426869045 447509937 /nfs/dbraw/zinc/50/99/37/447509937.db2.gz NFFCDBBYTQSSAL-CRAIPNDOSA-N 2 2 328.460 1.914 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)n2)nn1 ZINC000450503491 447509888 /nfs/dbraw/zinc/50/98/88/447509888.db2.gz RUDAKBIIJJPBDW-OCCSQVGLSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)n2)nn1 ZINC000450503491 447509893 /nfs/dbraw/zinc/50/98/93/447509893.db2.gz RUDAKBIIJJPBDW-OCCSQVGLSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)n2)nn1 ZINC000450503491 447509895 /nfs/dbraw/zinc/50/98/95/447509895.db2.gz RUDAKBIIJJPBDW-OCCSQVGLSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)n2)nn1 ZINC000450503491 447509900 /nfs/dbraw/zinc/50/99/00/447509900.db2.gz RUDAKBIIJJPBDW-OCCSQVGLSA-N 2 2 344.419 1.451 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[NH+]1CCOCC1 ZINC000391589181 447514950 /nfs/dbraw/zinc/51/49/50/447514950.db2.gz YNIMBLGHHZYETN-TVFCKZIOSA-N 2 2 337.508 1.770 20 0 EDADLP CNc1nc(NCC2(SC)CC[NH+](C)CC2)[nH+]c2ccccc21 ZINC000450531836 447517815 /nfs/dbraw/zinc/51/78/15/447517815.db2.gz LBNZLTCRDCGBGI-UHFFFAOYSA-N 2 2 331.489 1.755 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000391865691 447519077 /nfs/dbraw/zinc/51/90/77/447519077.db2.gz ZWWKFUXPNRWUEG-ZBFHGGJFSA-N 2 2 336.480 1.609 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000391865691 447519081 /nfs/dbraw/zinc/51/90/81/447519081.db2.gz ZWWKFUXPNRWUEG-ZBFHGGJFSA-N 2 2 336.480 1.609 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000457109573 447519079 /nfs/dbraw/zinc/51/90/79/447519079.db2.gz YHWLHQQVMNMELV-AWEZNQCLSA-N 2 2 330.432 1.260 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000457109573 447519086 /nfs/dbraw/zinc/51/90/86/447519086.db2.gz YHWLHQQVMNMELV-AWEZNQCLSA-N 2 2 330.432 1.260 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccco1 ZINC000457440772 447581604 /nfs/dbraw/zinc/58/16/04/447581604.db2.gz LKKJGSIUZWXRKN-QLFBSQMISA-N 2 2 336.436 1.045 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccco1 ZINC000457440772 447581609 /nfs/dbraw/zinc/58/16/09/447581609.db2.gz LKKJGSIUZWXRKN-QLFBSQMISA-N 2 2 336.436 1.045 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)[N@H+]1C ZINC000495727765 447563129 /nfs/dbraw/zinc/56/31/29/447563129.db2.gz IHOJDSVQGSPORQ-IYBDPMFKSA-N 2 2 340.512 1.564 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)[N@@H+]1C ZINC000495727765 447563135 /nfs/dbraw/zinc/56/31/35/447563135.db2.gz IHOJDSVQGSPORQ-IYBDPMFKSA-N 2 2 340.512 1.564 20 0 EDADLP CCC1(CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)COC1 ZINC000459092716 447570952 /nfs/dbraw/zinc/57/09/52/447570952.db2.gz GFBWVCCURVMGJS-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP CCC1(CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)COC1 ZINC000459092716 447570958 /nfs/dbraw/zinc/57/09/58/447570958.db2.gz GFBWVCCURVMGJS-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP CCn1nncc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459346852 447643000 /nfs/dbraw/zinc/64/30/00/447643000.db2.gz QOVZTCVZTZTOSZ-UHFFFAOYSA-N 3 2 348.539 1.926 20 0 EDADLP CCn1nncc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459346852 447643007 /nfs/dbraw/zinc/64/30/07/447643007.db2.gz QOVZTCVZTZTOSZ-UHFFFAOYSA-N 3 2 348.539 1.926 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000422495388 447597078 /nfs/dbraw/zinc/59/70/78/447597078.db2.gz SHTPVYVACMGTES-OAHLLOKOSA-N 2 2 332.448 1.163 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc(C)[nH+]1 ZINC000422495388 447597083 /nfs/dbraw/zinc/59/70/83/447597083.db2.gz SHTPVYVACMGTES-OAHLLOKOSA-N 2 2 332.448 1.163 20 0 EDADLP C[NH2+]C[C@H]1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416890884 447702492 /nfs/dbraw/zinc/70/24/92/447702492.db2.gz MOPPIVHUURPTLN-SJLPKXTDSA-N 2 2 346.475 1.311 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000457915333 447669685 /nfs/dbraw/zinc/66/96/85/447669685.db2.gz RDKAWNLIGNDVHE-QGZVFWFLSA-N 2 2 329.448 1.435 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)CC[NH2+]1 ZINC000416913863 447707797 /nfs/dbraw/zinc/70/77/97/447707797.db2.gz OHHIDQDSZFLRJH-IUODEOHRSA-N 2 2 331.395 1.652 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)[nH+]cn1 ZINC000420233029 447680017 /nfs/dbraw/zinc/68/00/17/447680017.db2.gz AWPJZJCORBFXHJ-WSMBLCCSSA-N 2 2 335.452 1.084 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000416941096 447717740 /nfs/dbraw/zinc/71/77/40/447717740.db2.gz QAPPSSZWOGVDCC-ZBFHGGJFSA-N 2 2 331.464 1.999 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422738995 447734549 /nfs/dbraw/zinc/73/45/49/447734549.db2.gz KPWVZSJPZLFBKR-QRVBRYPASA-N 3 2 344.503 1.657 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422738995 447734553 /nfs/dbraw/zinc/73/45/53/447734553.db2.gz KPWVZSJPZLFBKR-QRVBRYPASA-N 3 2 344.503 1.657 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000422745101 447736106 /nfs/dbraw/zinc/73/61/06/447736106.db2.gz LOZGPWVVFIEQGI-MHORFTMASA-N 3 2 327.513 1.480 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000422745101 447736108 /nfs/dbraw/zinc/73/61/08/447736108.db2.gz LOZGPWVVFIEQGI-MHORFTMASA-N 3 2 327.513 1.480 20 0 EDADLP Cn1c[nH+]c(CC[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)c1 ZINC000459671232 447736981 /nfs/dbraw/zinc/73/69/81/447736981.db2.gz WDRCGFDDZYCWRO-UHFFFAOYSA-N 2 2 342.443 1.657 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)N2CCOCC2)cc1 ZINC000422756550 447740337 /nfs/dbraw/zinc/74/03/37/447740337.db2.gz IZQNVIWCKWUAOV-SNRMKQJTSA-N 2 2 333.476 1.799 20 0 EDADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000422767539 447744141 /nfs/dbraw/zinc/74/41/41/447744141.db2.gz SSTUMVKYAXEKHE-QAPCUYQASA-N 2 2 347.484 1.513 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000429431359 447748171 /nfs/dbraw/zinc/74/81/71/447748171.db2.gz YWDMHLZBFYIWSC-ZBFHGGJFSA-N 2 2 340.489 1.679 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000429431359 447748173 /nfs/dbraw/zinc/74/81/73/447748173.db2.gz YWDMHLZBFYIWSC-ZBFHGGJFSA-N 2 2 340.489 1.679 20 0 EDADLP CC(C)C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000422809815 447756184 /nfs/dbraw/zinc/75/61/84/447756184.db2.gz SJUHQJZLCDFTBF-FGTMMUONSA-N 2 2 325.497 1.090 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422847496 447768374 /nfs/dbraw/zinc/76/83/74/447768374.db2.gz RKYAXDFFBHDLDL-IEBWSBKVSA-N 2 2 344.503 1.846 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000422919651 447772680 /nfs/dbraw/zinc/77/26/80/447772680.db2.gz KQVVDPNFBUZOFV-SJLPKXTDSA-N 2 2 346.475 1.534 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000430542069 447775028 /nfs/dbraw/zinc/77/50/28/447775028.db2.gz BSUQSMIIEWBVCQ-QGZVFWFLSA-N 2 2 332.492 1.471 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCCN1CCc2ccccc21 ZINC000430542069 447775031 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332.448 1.567 20 0 EDADLP COCCn1cc2c(n1)[C@H]([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)CCC2 ZINC000423038224 447796465 /nfs/dbraw/zinc/79/64/65/447796465.db2.gz OABNSORKRNJDGM-NUJGCVRESA-N 2 2 334.464 1.264 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423079937 447801073 /nfs/dbraw/zinc/80/10/73/447801073.db2.gz YXQNKQDNGOGZTI-BHIYHBOVSA-N 2 2 349.544 1.961 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111914 447863362 /nfs/dbraw/zinc/86/33/62/447863362.db2.gz JDMDHRFXLZKOOC-CVEARBPZSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111914 447863367 /nfs/dbraw/zinc/86/33/67/447863367.db2.gz JDMDHRFXLZKOOC-CVEARBPZSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111914 447863373 /nfs/dbraw/zinc/86/33/73/447863373.db2.gz JDMDHRFXLZKOOC-CVEARBPZSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111914 447863379 /nfs/dbraw/zinc/86/33/79/447863379.db2.gz JDMDHRFXLZKOOC-CVEARBPZSA-N 2 2 341.496 1.773 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000487671939 447835558 /nfs/dbraw/zinc/83/55/58/447835558.db2.gz ZOYYDDCGLSSOEO-AITUJVMLSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000487671939 447835560 /nfs/dbraw/zinc/83/55/60/447835560.db2.gz ZOYYDDCGLSSOEO-AITUJVMLSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000487671939 447835562 /nfs/dbraw/zinc/83/55/62/447835562.db2.gz ZOYYDDCGLSSOEO-AITUJVMLSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000487671939 447835563 /nfs/dbraw/zinc/83/55/63/447835563.db2.gz ZOYYDDCGLSSOEO-AITUJVMLSA-N 2 2 343.471 1.296 20 0 EDADLP Cc1nc(N2CC[NH+](CCc3cccs3)CC2)nc(N(C)C)[nH+]1 ZINC000488411553 447847052 /nfs/dbraw/zinc/84/70/52/447847052.db2.gz MRDNHIXLLDPPJB-UHFFFAOYSA-N 2 2 332.477 1.672 20 0 EDADLP O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000489155321 447852168 /nfs/dbraw/zinc/85/21/68/447852168.db2.gz ZUKSVLBTHLXGFG-GOSISDBHSA-N 2 2 349.500 1.239 20 0 EDADLP O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000489155321 447852171 /nfs/dbraw/zinc/85/21/71/447852171.db2.gz ZUKSVLBTHLXGFG-GOSISDBHSA-N 2 2 349.500 1.239 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000484443456 447825614 /nfs/dbraw/zinc/82/56/14/447825614.db2.gz IOKXBJNLSPVWTF-YYIAUSFCSA-N 2 2 328.460 1.707 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000484443456 447825615 /nfs/dbraw/zinc/82/56/15/447825615.db2.gz IOKXBJNLSPVWTF-YYIAUSFCSA-N 2 2 328.460 1.707 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523666814 447897797 /nfs/dbraw/zinc/89/77/97/447897797.db2.gz YGFJRMXAWLQVSG-NVXWUHKLSA-N 2 2 327.432 1.695 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523666814 447897798 /nfs/dbraw/zinc/89/77/98/447897798.db2.gz YGFJRMXAWLQVSG-NVXWUHKLSA-N 2 2 327.432 1.695 20 0 EDADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000569891198 447909875 /nfs/dbraw/zinc/90/98/75/447909875.db2.gz YFDFEHFMUVDLLO-GDBMZVCRSA-N 2 2 341.446 1.956 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000569891198 447909878 /nfs/dbraw/zinc/90/98/78/447909878.db2.gz YFDFEHFMUVDLLO-GDBMZVCRSA-N 2 2 341.446 1.956 20 0 EDADLP CC[C@H](CSc1ccccc1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570066317 447942364 /nfs/dbraw/zinc/94/23/64/447942364.db2.gz JTYKRDVWUVGVRZ-HUUCEWRRSA-N 2 2 336.505 1.842 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530812566 447962769 /nfs/dbraw/zinc/96/27/69/447962769.db2.gz AYCNACPQHFCJBC-CRAIPNDOSA-N 2 2 328.416 1.025 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530812566 447962773 /nfs/dbraw/zinc/96/27/73/447962773.db2.gz AYCNACPQHFCJBC-CRAIPNDOSA-N 2 2 328.416 1.025 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CCN2C1=O ZINC000575935038 447932340 /nfs/dbraw/zinc/93/23/40/447932340.db2.gz CPIXEPILPWYYLQ-HUUCEWRRSA-N 2 2 330.819 1.632 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CCN2C1=O ZINC000575935038 447932346 /nfs/dbraw/zinc/93/23/46/447932346.db2.gz CPIXEPILPWYYLQ-HUUCEWRRSA-N 2 2 330.819 1.632 20 0 EDADLP CN(C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1)C(=O)OC(C)(C)C ZINC000496864889 447982731 /nfs/dbraw/zinc/98/27/31/447982731.db2.gz PWJZSSXBQDNSSX-HOCLYGCPSA-N 2 2 341.496 1.630 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1)C(=O)OC(C)(C)C ZINC000496864889 447982734 /nfs/dbraw/zinc/98/27/34/447982734.db2.gz PWJZSSXBQDNSSX-HOCLYGCPSA-N 2 2 341.496 1.630 20 0 EDADLP CN(C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1)C(=O)OC(C)(C)C ZINC000496864889 447982736 /nfs/dbraw/zinc/98/27/36/447982736.db2.gz PWJZSSXBQDNSSX-HOCLYGCPSA-N 2 2 341.496 1.630 20 0 EDADLP CN(C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1)C(=O)OC(C)(C)C ZINC000496864889 447982738 /nfs/dbraw/zinc/98/27/38/447982738.db2.gz PWJZSSXBQDNSSX-HOCLYGCPSA-N 2 2 341.496 1.630 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000576170725 447990036 /nfs/dbraw/zinc/99/00/36/447990036.db2.gz SSBBKWWRBJFFTD-BZUAXINKSA-N 2 2 348.491 1.936 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000576170725 447990038 /nfs/dbraw/zinc/99/00/38/447990038.db2.gz SSBBKWWRBJFFTD-BZUAXINKSA-N 2 2 348.491 1.936 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC000570343122 447992284 /nfs/dbraw/zinc/99/22/84/447992284.db2.gz HRUVQMMRSLRTNK-KRWDZBQOSA-N 3 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)CC1 ZINC000570343122 447992286 /nfs/dbraw/zinc/99/22/86/447992286.db2.gz HRUVQMMRSLRTNK-KRWDZBQOSA-N 3 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000570343122 447992288 /nfs/dbraw/zinc/99/22/88/447992288.db2.gz HRUVQMMRSLRTNK-KRWDZBQOSA-N 3 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000570343122 447992290 /nfs/dbraw/zinc/99/22/90/447992290.db2.gz HRUVQMMRSLRTNK-KRWDZBQOSA-N 3 2 336.524 1.347 20 0 EDADLP COc1cccc([C@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)CC[N@@H+]2C2CC2)c1 ZINC000554332760 448023670 /nfs/dbraw/zinc/02/36/70/448023670.db2.gz OWAFXHCHUKKTQW-HKUYNNGSSA-N 2 2 340.427 1.986 20 0 EDADLP COc1cccc([C@H]2[C@@H](NC(=O)Cn3cc[nH+]c3)CC[N@H+]2C2CC2)c1 ZINC000554332760 448023672 /nfs/dbraw/zinc/02/36/72/448023672.db2.gz OWAFXHCHUKKTQW-HKUYNNGSSA-N 2 2 340.427 1.986 20 0 EDADLP CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000496938776 448052303 /nfs/dbraw/zinc/05/23/03/448052303.db2.gz AYLLCMOHFSSPCY-GOSISDBHSA-N 2 2 347.459 1.791 20 0 EDADLP CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000496938776 448052306 /nfs/dbraw/zinc/05/23/06/448052306.db2.gz AYLLCMOHFSSPCY-GOSISDBHSA-N 2 2 347.459 1.791 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)[C@@H](C)C1 ZINC000497720788 448074558 /nfs/dbraw/zinc/07/45/58/448074558.db2.gz XISCPJNTHQLJFN-WLLUSJSYSA-N 2 2 331.464 1.154 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)[C@@H](C)C1 ZINC000497720788 448074561 /nfs/dbraw/zinc/07/45/61/448074561.db2.gz XISCPJNTHQLJFN-WLLUSJSYSA-N 2 2 331.464 1.154 20 0 EDADLP CC(C)OC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500407765 448088157 /nfs/dbraw/zinc/08/81/57/448088157.db2.gz GSCUBSOGIJGXNL-XYJFISCASA-N 2 2 338.496 1.521 20 0 EDADLP CC(C)OC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500407765 448088158 /nfs/dbraw/zinc/08/81/58/448088158.db2.gz GSCUBSOGIJGXNL-XYJFISCASA-N 2 2 338.496 1.521 20 0 EDADLP CC(C)OC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000500407765 448088160 /nfs/dbraw/zinc/08/81/60/448088160.db2.gz GSCUBSOGIJGXNL-XYJFISCASA-N 2 2 338.496 1.521 20 0 EDADLP CC(C)OC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000500407765 448088162 /nfs/dbraw/zinc/08/81/62/448088162.db2.gz GSCUBSOGIJGXNL-XYJFISCASA-N 2 2 338.496 1.521 20 0 EDADLP Cc1ccc(NC(=O)CC[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000556049850 448102956 /nfs/dbraw/zinc/10/29/56/448102956.db2.gz INFXKUBYUWJBRG-IYBDPMFKSA-N 2 2 334.464 1.808 20 0 EDADLP Cc1ccc(NC(=O)CC[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000556049850 448102961 /nfs/dbraw/zinc/10/29/61/448102961.db2.gz INFXKUBYUWJBRG-IYBDPMFKSA-N 2 2 334.464 1.808 20 0 EDADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000556079727 448103874 /nfs/dbraw/zinc/10/38/74/448103874.db2.gz YYMZPEUNSPOJAQ-CXAGYDPISA-N 2 2 337.489 1.643 20 0 EDADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000556079727 448103877 /nfs/dbraw/zinc/10/38/77/448103877.db2.gz YYMZPEUNSPOJAQ-CXAGYDPISA-N 2 2 337.489 1.643 20 0 EDADLP CCCOCc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570784753 448063496 /nfs/dbraw/zinc/06/34/96/448063496.db2.gz ROUXPFMXBSXPLP-QGZVFWFLSA-N 2 2 334.464 1.398 20 0 EDADLP CCCOCc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570784753 448063499 /nfs/dbraw/zinc/06/34/99/448063499.db2.gz ROUXPFMXBSXPLP-QGZVFWFLSA-N 2 2 334.464 1.398 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)Cn3cc[nH+]c3)C2)CC1 ZINC000531836464 448156589 /nfs/dbraw/zinc/15/65/89/448156589.db2.gz VWNIAXSOZFGDML-IRXDYDNUSA-N 2 2 348.495 1.082 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000576687119 448113772 /nfs/dbraw/zinc/11/37/72/448113772.db2.gz STROOPSOUCBFOD-NEPJUHHUSA-N 2 2 333.823 1.739 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531660583 448125740 /nfs/dbraw/zinc/12/57/40/448125740.db2.gz UOOYBUBSDLEJSX-JKSUJKDBSA-N 2 2 335.452 1.134 20 0 EDADLP Cc1ccnn1-c1ccccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576727952 448128169 /nfs/dbraw/zinc/12/81/69/448128169.db2.gz MMXBDPALPYRSAA-CQSZACIVSA-N 2 2 328.420 1.287 20 0 EDADLP Cc1ccnn1-c1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576727952 448128172 /nfs/dbraw/zinc/12/81/72/448128172.db2.gz MMXBDPALPYRSAA-CQSZACIVSA-N 2 2 328.420 1.287 20 0 EDADLP CCN1CCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000526974842 448128798 /nfs/dbraw/zinc/12/87/98/448128798.db2.gz TYTBBIQVVPKSIO-HZPDHXFCSA-N 2 2 348.495 1.528 20 0 EDADLP CCN1CCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000526974842 448128808 /nfs/dbraw/zinc/12/88/08/448128808.db2.gz TYTBBIQVVPKSIO-HZPDHXFCSA-N 2 2 348.495 1.528 20 0 EDADLP CCOC[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000576815930 448144890 /nfs/dbraw/zinc/14/48/90/448144890.db2.gz CGYNCTIIODPDIH-IBGZPJMESA-N 2 2 335.492 1.494 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000556728073 448147873 /nfs/dbraw/zinc/14/78/73/448147873.db2.gz HGELAQKJYZUMSZ-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000556728073 448147879 /nfs/dbraw/zinc/14/78/79/448147879.db2.gz HGELAQKJYZUMSZ-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000531931585 448174529 /nfs/dbraw/zinc/17/45/29/448174529.db2.gz NMZOEQSCCIQQCP-QGZVFWFLSA-N 2 2 333.480 1.392 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000531931585 448174534 /nfs/dbraw/zinc/17/45/34/448174534.db2.gz NMZOEQSCCIQQCP-QGZVFWFLSA-N 2 2 333.480 1.392 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCCn1cc[nH+]c1 ZINC000527246226 448193031 /nfs/dbraw/zinc/19/30/31/448193031.db2.gz QVFWYMPCQGPRPE-UHFFFAOYSA-N 2 2 341.419 1.629 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)ccn12 ZINC000577076206 448206311 /nfs/dbraw/zinc/20/63/11/448206311.db2.gz OGNKSKAOKKPNEU-HNNXBMFYSA-N 2 2 330.432 1.873 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)ccn12 ZINC000577076206 448206314 /nfs/dbraw/zinc/20/63/14/448206314.db2.gz OGNKSKAOKKPNEU-HNNXBMFYSA-N 2 2 330.432 1.873 20 0 EDADLP Cc1nc(NCC(=O)NCC[NH+]2CCCCCC2)c2c([nH+]1)CCCC2 ZINC000559350254 448208736 /nfs/dbraw/zinc/20/87/36/448208736.db2.gz FUIUQZSIONLRJY-UHFFFAOYSA-N 2 2 345.491 2.068 20 0 EDADLP C[NH+]1CCN([C@H](CNC(=O)c2c[nH+]ccc2N)c2cccs2)CC1 ZINC000577182589 448228100 /nfs/dbraw/zinc/22/81/00/448228100.db2.gz OHQMZYSBKNIREN-OAHLLOKOSA-N 2 2 345.472 1.274 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]C2CCN(c3cnccn3)CC2)C[C@@H](C)O1 ZINC000532198195 448215171 /nfs/dbraw/zinc/21/51/71/448215171.db2.gz BLLGBGFGNRVGDG-HZPDHXFCSA-N 2 2 333.480 1.534 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)cnn3C)C2)CC1 ZINC000527365832 448217989 /nfs/dbraw/zinc/21/79/89/448217989.db2.gz CTGBQIQTQQLOCB-AWEZNQCLSA-N 2 2 325.888 1.674 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)cnn3C)C2)CC1 ZINC000527365832 448217992 /nfs/dbraw/zinc/21/79/92/448217992.db2.gz CTGBQIQTQQLOCB-AWEZNQCLSA-N 2 2 325.888 1.674 20 0 EDADLP Cn1cc(-c2ncc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cn2)cn1 ZINC000527519566 448245320 /nfs/dbraw/zinc/24/53/20/448245320.db2.gz BMRUBWNINAZQTF-UHFFFAOYSA-N 2 2 326.448 1.984 20 0 EDADLP Cc1cn2cc(NC(=O)NC[C@H]3CCCC[N@@H+]3CCO)ccc2[nH+]1 ZINC000515129796 448262667 /nfs/dbraw/zinc/26/26/67/448262667.db2.gz MOAXMKOZSGFEQN-OAHLLOKOSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cn2cc(NC(=O)NC[C@H]3CCCC[N@H+]3CCO)ccc2[nH+]1 ZINC000515129796 448262675 /nfs/dbraw/zinc/26/26/75/448262675.db2.gz MOAXMKOZSGFEQN-OAHLLOKOSA-N 2 2 331.420 1.611 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492827452 448306710 /nfs/dbraw/zinc/30/67/10/448306710.db2.gz XAKBCTPUJGDCOV-WLMCBFPDSA-N 2 2 339.399 1.511 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492827452 448306718 /nfs/dbraw/zinc/30/67/18/448306718.db2.gz XAKBCTPUJGDCOV-WLMCBFPDSA-N 2 2 339.399 1.511 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000582677836 448310319 /nfs/dbraw/zinc/31/03/19/448310319.db2.gz WOGHWPNKOJONBI-OAHLLOKOSA-N 2 2 343.431 1.636 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000582677836 448310326 /nfs/dbraw/zinc/31/03/26/448310326.db2.gz WOGHWPNKOJONBI-OAHLLOKOSA-N 2 2 343.431 1.636 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000582677836 448310331 /nfs/dbraw/zinc/31/03/31/448310331.db2.gz WOGHWPNKOJONBI-OAHLLOKOSA-N 2 2 343.431 1.636 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000582677836 448310335 /nfs/dbraw/zinc/31/03/35/448310335.db2.gz WOGHWPNKOJONBI-OAHLLOKOSA-N 2 2 343.431 1.636 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2OCC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000515356144 448297211 /nfs/dbraw/zinc/29/72/11/448297211.db2.gz SGSQKWKFFJJLKX-KPFFTGBYSA-N 2 2 345.487 1.859 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H]2OCC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000515356144 448297215 /nfs/dbraw/zinc/29/72/15/448297215.db2.gz SGSQKWKFFJJLKX-KPFFTGBYSA-N 2 2 345.487 1.859 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000515356144 448297217 /nfs/dbraw/zinc/29/72/17/448297217.db2.gz SGSQKWKFFJJLKX-KPFFTGBYSA-N 2 2 345.487 1.859 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000515356144 448297221 /nfs/dbraw/zinc/29/72/21/448297221.db2.gz SGSQKWKFFJJLKX-KPFFTGBYSA-N 2 2 345.487 1.859 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1CC[NH+]2CCC1CC2)C(F)(F)F ZINC000515387278 448304652 /nfs/dbraw/zinc/30/46/52/448304652.db2.gz AFMSXYZNFMLDKS-LBPRGKRZSA-N 2 2 330.354 1.763 20 0 EDADLP c1nnc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)[nH]1 ZINC000566138472 448393197 /nfs/dbraw/zinc/39/31/97/448393197.db2.gz DDOCPIPHHLBSOG-QGZVFWFLSA-N 2 2 327.432 1.626 20 0 EDADLP c1nnc([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)[nH]1 ZINC000566138472 448393202 /nfs/dbraw/zinc/39/32/02/448393202.db2.gz DDOCPIPHHLBSOG-QGZVFWFLSA-N 2 2 327.432 1.626 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n[nH]1 ZINC000582972865 448394030 /nfs/dbraw/zinc/39/40/30/448394030.db2.gz VIMVTHWWFFEQIH-GXTWGEPZSA-N 2 2 342.447 1.839 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n[nH]1 ZINC000582972865 448394039 /nfs/dbraw/zinc/39/40/39/448394039.db2.gz VIMVTHWWFFEQIH-GXTWGEPZSA-N 2 2 342.447 1.839 20 0 EDADLP CO[C@H](CC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000516278660 448408171 /nfs/dbraw/zinc/40/81/71/448408171.db2.gz YRCCBHYUSHWGIX-ZDEQEGDKSA-N 2 2 328.375 1.014 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000566192341 448410768 /nfs/dbraw/zinc/41/07/68/448410768.db2.gz LIKFUZNSDDWIMJ-HUUCEWRRSA-N 2 2 344.463 1.287 20 0 EDADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000493155913 448375457 /nfs/dbraw/zinc/37/54/57/448375457.db2.gz NJOGVYAZCOBWAJ-MWWKQMNYSA-N 2 2 326.400 1.301 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1COc1cccnc1C ZINC000582913961 448379769 /nfs/dbraw/zinc/37/97/69/448379769.db2.gz ZTEHIVZZFZLVLD-DLBZAZTESA-N 2 2 337.464 1.172 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1COc1cccnc1C ZINC000582913961 448379770 /nfs/dbraw/zinc/37/97/70/448379770.db2.gz ZTEHIVZZFZLVLD-DLBZAZTESA-N 2 2 337.464 1.172 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1COc1cccnc1C ZINC000582913961 448379771 /nfs/dbraw/zinc/37/97/71/448379771.db2.gz ZTEHIVZZFZLVLD-DLBZAZTESA-N 2 2 337.464 1.172 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1COc1cccnc1C ZINC000582913961 448379774 /nfs/dbraw/zinc/37/97/74/448379774.db2.gz ZTEHIVZZFZLVLD-DLBZAZTESA-N 2 2 337.464 1.172 20 0 EDADLP CS(=O)(=O)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000566229759 448420608 /nfs/dbraw/zinc/42/06/08/448420608.db2.gz MOXBLUQTFCPWJH-OAHLLOKOSA-N 2 2 338.473 1.277 20 0 EDADLP CS(=O)(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000566229759 448420614 /nfs/dbraw/zinc/42/06/14/448420614.db2.gz MOXBLUQTFCPWJH-OAHLLOKOSA-N 2 2 338.473 1.277 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566292066 448437077 /nfs/dbraw/zinc/43/70/77/448437077.db2.gz NWWXXCMUUCKUKS-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566292066 448437081 /nfs/dbraw/zinc/43/70/81/448437081.db2.gz NWWXXCMUUCKUKS-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000516568421 448440271 /nfs/dbraw/zinc/44/02/71/448440271.db2.gz BXFUCRAKEXALGX-BZUAXINKSA-N 2 2 339.480 1.285 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000516568421 448440274 /nfs/dbraw/zinc/44/02/74/448440274.db2.gz BXFUCRAKEXALGX-BZUAXINKSA-N 2 2 339.480 1.285 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000534434454 448451825 /nfs/dbraw/zinc/45/18/25/448451825.db2.gz HIZYKDPREVICGM-GJZGRUSLSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000534434454 448451831 /nfs/dbraw/zinc/45/18/31/448451831.db2.gz HIZYKDPREVICGM-GJZGRUSLSA-N 2 2 331.464 1.936 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccccc2)CCCO1 ZINC000572752898 448457504 /nfs/dbraw/zinc/45/75/04/448457504.db2.gz MVFHOBYAVGEUQL-MRXNPFEDSA-N 2 2 340.489 1.551 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2ccccc2)CCCO1 ZINC000572752898 448457507 /nfs/dbraw/zinc/45/75/07/448457507.db2.gz MVFHOBYAVGEUQL-MRXNPFEDSA-N 2 2 340.489 1.551 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000534717506 448467727 /nfs/dbraw/zinc/46/77/27/448467727.db2.gz SEFCGTIAOCFMBR-MRXNPFEDSA-N 3 2 339.528 1.042 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 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CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000519294716 448756385 /nfs/dbraw/zinc/75/63/85/448756385.db2.gz YCJGJXCSLVZUQS-OAHLLOKOSA-N 2 2 334.445 1.304 20 0 EDADLP CC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000519294716 448756388 /nfs/dbraw/zinc/75/63/88/448756388.db2.gz YCJGJXCSLVZUQS-OAHLLOKOSA-N 2 2 334.445 1.304 20 0 EDADLP Cn1nc(C2CC2)nc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000567780445 448760685 /nfs/dbraw/zinc/76/06/85/448760685.db2.gz ONZLFQTVNHRBLP-UHFFFAOYSA-N 2 2 346.523 1.542 20 0 EDADLP [NH3+]CCC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000568052346 448807373 /nfs/dbraw/zinc/80/73/73/448807373.db2.gz XBNMMNJIBGRXGO-UHFFFAOYSA-N 2 2 331.464 1.952 20 0 EDADLP CN(CCC[NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000574173338 448810509 /nfs/dbraw/zinc/81/05/09/448810509.db2.gz HYMNBEMHOIQQLD-UHFFFAOYSA-N 2 2 347.463 1.080 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)[C@@H](C[NH3+])C1 ZINC000529346458 448834285 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EDADLP CC(C)[N@@H+]1CC[C@@H](CNc2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000522107221 449050367 /nfs/dbraw/zinc/05/03/67/449050367.db2.gz IYDCZBFLABGSIK-AWEZNQCLSA-N 2 2 329.448 1.020 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNc2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000522107221 449050372 /nfs/dbraw/zinc/05/03/72/449050372.db2.gz IYDCZBFLABGSIK-AWEZNQCLSA-N 2 2 329.448 1.020 20 0 EDADLP CCOC(=O)C(C)(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601802446 449162197 /nfs/dbraw/zinc/16/21/97/449162197.db2.gz BQZRPWNCUZBWLZ-UHFFFAOYSA-N 2 2 334.420 1.361 20 0 EDADLP Cn1nc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000604418410 449227275 /nfs/dbraw/zinc/22/72/75/449227275.db2.gz WVSGWEOAQKUCRT-MRXNPFEDSA-N 2 2 343.475 1.069 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000590637499 449230527 /nfs/dbraw/zinc/23/05/27/449230527.db2.gz VTNSOCYHSASMKU-UHFFFAOYSA-N 2 2 346.475 1.412 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000590637499 449230529 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20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)c2ccccc2C1 ZINC000590912445 449341487 /nfs/dbraw/zinc/34/14/87/449341487.db2.gz JIAXWCOFCUDKQN-UHFFFAOYSA-N 2 2 334.383 1.755 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)c2ccccc2C1 ZINC000590912445 449341491 /nfs/dbraw/zinc/34/14/91/449341491.db2.gz JIAXWCOFCUDKQN-UHFFFAOYSA-N 2 2 334.383 1.755 20 0 EDADLP CS[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590925575 449346003 /nfs/dbraw/zinc/34/60/03/449346003.db2.gz HGSDYRWVBGAOSS-UKRRQHHQSA-N 2 2 326.510 1.302 20 0 EDADLP CS[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590925575 449346009 /nfs/dbraw/zinc/34/60/09/449346009.db2.gz HGSDYRWVBGAOSS-UKRRQHHQSA-N 2 2 326.510 1.302 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)c1ccc3[nH]c4c(c3c1)C[N@H+](C)CC4)C2 ZINC000614035577 449426541 /nfs/dbraw/zinc/42/65/41/449426541.db2.gz UMNXYKWUVMVXOJ-UHFFFAOYSA-N 2 2 338.455 1.934 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)c1ccc3[nH]c4c(c3c1)C[N@@H+](C)CC4)C2 ZINC000614035577 449426548 /nfs/dbraw/zinc/42/65/48/449426548.db2.gz UMNXYKWUVMVXOJ-UHFFFAOYSA-N 2 2 338.455 1.934 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747811 449532333 /nfs/dbraw/zinc/53/23/33/449532333.db2.gz LBFXCRIEKJSYSW-UYHISHBKSA-N 2 2 348.422 1.794 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747811 449532337 /nfs/dbraw/zinc/53/23/37/449532337.db2.gz LBFXCRIEKJSYSW-UYHISHBKSA-N 2 2 348.422 1.794 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000612056821 449542931 /nfs/dbraw/zinc/54/29/31/449542931.db2.gz KUJWVPHOWTUVRT-QLFBSQMISA-N 2 2 334.464 1.520 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000612056821 449542936 /nfs/dbraw/zinc/54/29/36/449542936.db2.gz KUJWVPHOWTUVRT-QLFBSQMISA-N 2 2 334.464 1.520 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)O1 ZINC000612056821 449542942 /nfs/dbraw/zinc/54/29/42/449542942.db2.gz KUJWVPHOWTUVRT-QLFBSQMISA-N 2 2 334.464 1.520 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)O1 ZINC000612056821 449542948 /nfs/dbraw/zinc/54/29/48/449542948.db2.gz KUJWVPHOWTUVRT-QLFBSQMISA-N 2 2 334.464 1.520 20 0 EDADLP C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CC[NH+](C)CC1 ZINC000606669160 449502358 /nfs/dbraw/zinc/50/23/58/449502358.db2.gz ICUDGNIKGACPLP-LLVKDONJSA-N 2 2 347.385 1.975 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1CC[NH+](C)CC1 ZINC000606700261 449510030 /nfs/dbraw/zinc/51/00/30/449510030.db2.gz GCHAFUSDDAOHRJ-INIZCTEOSA-N 2 2 345.491 1.639 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC[NH+](C)CC1 ZINC000606701645 449511238 /nfs/dbraw/zinc/51/12/38/449511238.db2.gz HFXRHGWUPJLRPU-HNNXBMFYSA-N 2 2 334.464 1.837 20 0 EDADLP COC(=O)c1csc([C@@H](C)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC000600715024 449513585 /nfs/dbraw/zinc/51/35/85/449513585.db2.gz XCVSWXRVXMOAFT-ZWNOBZJWSA-N 2 2 335.433 1.511 20 0 EDADLP Cn1c[nH+]c(CC[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000600734529 449524533 /nfs/dbraw/zinc/52/45/33/449524533.db2.gz DLLPHQXQLBJSRU-UHFFFAOYSA-N 2 2 337.464 1.815 20 0 EDADLP COC(=O)c1[nH]c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000602484836 449626571 /nfs/dbraw/zinc/62/65/71/449626571.db2.gz IXSFOITWLBHCLL-BZUAXINKSA-N 2 2 335.448 1.793 20 0 EDADLP COC(=O)c1[nH]c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000602484836 449626574 /nfs/dbraw/zinc/62/65/74/449626574.db2.gz IXSFOITWLBHCLL-BZUAXINKSA-N 2 2 335.448 1.793 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000602485216 449627131 /nfs/dbraw/zinc/62/71/31/449627131.db2.gz WGNJOKWBUAYIPU-YJBOKZPZSA-N 2 2 348.491 1.649 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000602485216 449627138 /nfs/dbraw/zinc/62/71/38/449627138.db2.gz WGNJOKWBUAYIPU-YJBOKZPZSA-N 2 2 348.491 1.649 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614464650 449627525 /nfs/dbraw/zinc/62/75/25/449627525.db2.gz BJHSWXMELMDGSU-CQSZACIVSA-N 2 2 335.452 1.546 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614464650 449627533 /nfs/dbraw/zinc/62/75/33/449627533.db2.gz BJHSWXMELMDGSU-CQSZACIVSA-N 2 2 335.452 1.546 20 0 EDADLP Cc1ccc(-c2nc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cs2)cc1 ZINC000594737067 449658794 /nfs/dbraw/zinc/65/87/94/449658794.db2.gz XUTIFWGZIBGELO-HOTGVXAUSA-N 2 2 342.468 1.862 20 0 EDADLP Cc1ccc(-c2nc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cs2)cc1 ZINC000594737067 449658797 /nfs/dbraw/zinc/65/87/97/449658797.db2.gz XUTIFWGZIBGELO-HOTGVXAUSA-N 2 2 342.468 1.862 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000607904587 449662333 /nfs/dbraw/zinc/66/23/33/449662333.db2.gz XSGMKMUZVVDVDS-DOTOQJQBSA-N 2 2 325.497 1.581 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000607904587 449662340 /nfs/dbraw/zinc/66/23/40/449662340.db2.gz XSGMKMUZVVDVDS-DOTOQJQBSA-N 2 2 325.497 1.581 20 0 EDADLP Cn1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C1CC1 ZINC000607906832 449664844 /nfs/dbraw/zinc/66/48/44/449664844.db2.gz KNADWUOOJSIPIA-CQSZACIVSA-N 2 2 331.464 1.196 20 0 EDADLP Cn1nc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C1CC1 ZINC000607906832 449664848 /nfs/dbraw/zinc/66/48/48/449664848.db2.gz KNADWUOOJSIPIA-CQSZACIVSA-N 2 2 331.464 1.196 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000599009179 449695745 /nfs/dbraw/zinc/69/57/45/449695745.db2.gz UAQAHNNOZVMEIT-RDJZCZTQSA-N 2 2 347.459 1.308 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000599009179 449695749 /nfs/dbraw/zinc/69/57/49/449695749.db2.gz UAQAHNNOZVMEIT-RDJZCZTQSA-N 2 2 347.459 1.308 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000601113871 449696290 /nfs/dbraw/zinc/69/62/90/449696290.db2.gz RXUCQPFFKSMJHW-QGZVFWFLSA-N 2 2 346.523 2.213 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000612431549 449700562 /nfs/dbraw/zinc/70/05/62/449700562.db2.gz MWSYLJNPYORHPG-DOTOQJQBSA-N 2 2 332.448 1.159 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H](C)C1CCCCC1 ZINC000602647745 449727830 /nfs/dbraw/zinc/72/78/30/449727830.db2.gz MPYJHOGBCBYXML-QGZVFWFLSA-N 2 2 339.524 1.925 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H](C)C1CCCCC1 ZINC000602647745 449727833 /nfs/dbraw/zinc/72/78/33/449727833.db2.gz MPYJHOGBCBYXML-QGZVFWFLSA-N 2 2 339.524 1.925 20 0 EDADLP COC(=O)c1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)[nH]c1C ZINC000602655944 449733973 /nfs/dbraw/zinc/73/39/73/449733973.db2.gz IPGKZEOCPULGJW-UHFFFAOYSA-N 2 2 336.480 1.568 20 0 EDADLP COC(=O)c1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)[nH]c1C ZINC000602655944 449734004 /nfs/dbraw/zinc/73/40/04/449734004.db2.gz IPGKZEOCPULGJW-UHFFFAOYSA-N 2 2 336.480 1.568 20 0 EDADLP COC(=O)c1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)[nH]c1C ZINC000602655944 449734010 /nfs/dbraw/zinc/73/40/10/449734010.db2.gz IPGKZEOCPULGJW-UHFFFAOYSA-N 2 2 336.480 1.568 20 0 EDADLP COC(=O)c1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[nH]c1C ZINC000602655944 449734013 /nfs/dbraw/zinc/73/40/13/449734013.db2.gz IPGKZEOCPULGJW-UHFFFAOYSA-N 2 2 336.480 1.568 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000601105708 449692024 /nfs/dbraw/zinc/69/20/24/449692024.db2.gz NFKQVMUEVMIXSW-CQSZACIVSA-N 2 2 334.464 2.425 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCSc3cccc(Cl)c3)CCN2C1=O ZINC000594876196 449790016 /nfs/dbraw/zinc/79/00/16/449790016.db2.gz IJMXEWOSBBYWGM-TZMCWYRMSA-N 2 2 325.865 1.676 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCSc3cccc(Cl)c3)CCN2C1=O ZINC000594876196 449790019 /nfs/dbraw/zinc/79/00/19/449790019.db2.gz IJMXEWOSBBYWGM-TZMCWYRMSA-N 2 2 325.865 1.676 20 0 EDADLP CC(=O)Nc1cccc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617763277 449822250 /nfs/dbraw/zinc/82/22/50/449822250.db2.gz LKWUEGIZDPQTMN-UHFFFAOYSA-N 2 2 334.464 1.187 20 0 EDADLP CC(=O)Nc1cccc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617763277 449822255 /nfs/dbraw/zinc/82/22/55/449822255.db2.gz LKWUEGIZDPQTMN-UHFFFAOYSA-N 2 2 334.464 1.187 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc2c(c1)CCCO2 ZINC000617763287 449823147 /nfs/dbraw/zinc/82/31/47/449823147.db2.gz LPIILDQIGUQKMX-UHFFFAOYSA-N 2 2 333.476 1.554 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc2c(c1)CCCO2 ZINC000617763287 449823149 /nfs/dbraw/zinc/82/31/49/449823149.db2.gz LPIILDQIGUQKMX-UHFFFAOYSA-N 2 2 333.476 1.554 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000617763951 449824491 /nfs/dbraw/zinc/82/44/91/449824491.db2.gz CPZCZWSMGGXWOU-UHFFFAOYSA-N 2 2 347.463 1.043 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000617763951 449824496 /nfs/dbraw/zinc/82/44/96/449824496.db2.gz CPZCZWSMGGXWOU-UHFFFAOYSA-N 2 2 347.463 1.043 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000617735030 449797850 /nfs/dbraw/zinc/79/78/50/449797850.db2.gz KQTUBMAAGALHKA-GJZGRUSLSA-N 2 2 337.464 1.960 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000617735030 449797855 /nfs/dbraw/zinc/79/78/55/449797855.db2.gz KQTUBMAAGALHKA-GJZGRUSLSA-N 2 2 337.464 1.960 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000599310049 449882233 /nfs/dbraw/zinc/88/22/33/449882233.db2.gz GAAGUTYAJJHIBJ-PKOBYXMFSA-N 2 2 344.503 1.798 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000599310049 449882243 /nfs/dbraw/zinc/88/22/43/449882243.db2.gz GAAGUTYAJJHIBJ-PKOBYXMFSA-N 2 2 344.503 1.798 20 0 EDADLP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)[N@@H+]1CCO[C@@H](CC)C1 ZINC000614963552 449895445 /nfs/dbraw/zinc/89/54/45/449895445.db2.gz OQOLOHZQAREPJX-DLBZAZTESA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)[N@H+]1CCO[C@@H](CC)C1 ZINC000614963552 449895449 /nfs/dbraw/zinc/89/54/49/449895449.db2.gz OQOLOHZQAREPJX-DLBZAZTESA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(C)O ZINC000608718835 449919632 /nfs/dbraw/zinc/91/96/32/449919632.db2.gz LHTZUPCGLIKGRS-OAHLLOKOSA-N 2 2 340.512 1.395 20 0 EDADLP CCc1noc(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479257 450001379 /nfs/dbraw/zinc/00/13/79/450001379.db2.gz TWCQVCYTRLZCQG-OAHLLOKOSA-N 2 2 334.464 1.786 20 0 EDADLP CCc1noc(C)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479257 450001386 /nfs/dbraw/zinc/00/13/86/450001386.db2.gz TWCQVCYTRLZCQG-OAHLLOKOSA-N 2 2 334.464 1.786 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@H+](C)CC[C@@H]2CCCC[NH+]2C)C1=O ZINC000595326122 450041834 /nfs/dbraw/zinc/04/18/34/450041834.db2.gz IUAHOQZMSYLXCO-JKSUJKDBSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@@H+](C)CC[C@@H]2CCCC[NH+]2C)C1=O ZINC000595326122 450041836 /nfs/dbraw/zinc/04/18/36/450041836.db2.gz IUAHOQZMSYLXCO-JKSUJKDBSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([NH+](C)CC[C@@H]2CCCC[N@@H+]2C)C1=O ZINC000595326122 450041839 /nfs/dbraw/zinc/04/18/39/450041839.db2.gz IUAHOQZMSYLXCO-JKSUJKDBSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([NH+](C)CC[C@@H]2CCCC[N@H+]2C)C1=O ZINC000595326122 450041842 /nfs/dbraw/zinc/04/18/42/450041842.db2.gz IUAHOQZMSYLXCO-JKSUJKDBSA-N 2 2 339.480 1.347 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000618553861 450242159 /nfs/dbraw/zinc/24/21/59/450242159.db2.gz VUDMKSUOWYWUTR-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000618553861 450242163 /nfs/dbraw/zinc/24/21/63/450242163.db2.gz VUDMKSUOWYWUTR-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000595604093 450258431 /nfs/dbraw/zinc/25/84/31/450258431.db2.gz DIKHHPLQQLKQNJ-CQSZACIVSA-N 2 2 327.469 1.203 20 0 EDADLP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000595604093 450258433 /nfs/dbraw/zinc/25/84/33/450258433.db2.gz DIKHHPLQQLKQNJ-CQSZACIVSA-N 2 2 327.469 1.203 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCSCC1 ZINC000618663860 450267721 /nfs/dbraw/zinc/26/77/21/450267721.db2.gz NCBLLJVBKBTIJW-LSDHHAIUSA-N 2 2 325.522 1.947 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCSCC1 ZINC000618663860 450267724 /nfs/dbraw/zinc/26/77/24/450267724.db2.gz NCBLLJVBKBTIJW-LSDHHAIUSA-N 2 2 325.522 1.947 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000615907715 450269232 /nfs/dbraw/zinc/26/92/32/450269232.db2.gz NWTJMMFOHOFNMY-IYBDPMFKSA-N 2 2 337.468 1.462 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCCCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000615907715 450269234 /nfs/dbraw/zinc/26/92/34/450269234.db2.gz NWTJMMFOHOFNMY-IYBDPMFKSA-N 2 2 337.468 1.462 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000603600261 450332403 /nfs/dbraw/zinc/33/24/03/450332403.db2.gz PQGNIPJVCRGHPP-INIZCTEOSA-N 2 2 348.495 1.357 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000603600261 450332407 /nfs/dbraw/zinc/33/24/07/450332407.db2.gz PQGNIPJVCRGHPP-INIZCTEOSA-N 2 2 348.495 1.357 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000625307458 450284832 /nfs/dbraw/zinc/28/48/32/450284832.db2.gz ZMFLIIABNSLLCO-UHFFFAOYSA-N 2 2 331.420 1.531 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000625307458 450284838 /nfs/dbraw/zinc/28/48/38/450284838.db2.gz ZMFLIIABNSLLCO-UHFFFAOYSA-N 2 2 331.420 1.531 20 0 EDADLP C[C@@H](CSCCF)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000603428084 450297621 /nfs/dbraw/zinc/29/76/21/450297621.db2.gz JNJVKLSXMJOOAE-HOTGVXAUSA-N 2 2 333.517 1.464 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619882797 450352491 /nfs/dbraw/zinc/35/24/91/450352491.db2.gz PODSUWNXPAULGF-INIZCTEOSA-N 2 2 348.491 1.967 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)CC2 ZINC000616862761 450501704 /nfs/dbraw/zinc/50/17/04/450501704.db2.gz DZZAVNCPAAFTJG-DZGCQCFKSA-N 2 2 345.447 1.363 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)C(C)(C)CO ZINC000616865496 450503053 /nfs/dbraw/zinc/50/30/53/450503053.db2.gz VLQPHDHCFGCDSZ-JSGCOSHPSA-N 2 2 340.493 1.033 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)C(C)(C)CO ZINC000616865496 450503055 /nfs/dbraw/zinc/50/30/55/450503055.db2.gz VLQPHDHCFGCDSZ-JSGCOSHPSA-N 2 2 340.493 1.033 20 0 EDADLP C[NH+](C)C1(CNC(=O)NC[C@H]2COCC[N@@H+]2C)CCCCCC1 ZINC000623399546 450514382 /nfs/dbraw/zinc/51/43/82/450514382.db2.gz QPZDEHZUIOUDTQ-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)C1(CNC(=O)NC[C@H]2COCC[N@H+]2C)CCCCCC1 ZINC000623399546 450514384 /nfs/dbraw/zinc/51/43/84/450514384.db2.gz QPZDEHZUIOUDTQ-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623492609 450530983 /nfs/dbraw/zinc/53/09/83/450530983.db2.gz CQYZOHJPVGFTSK-CQSZACIVSA-N 2 2 336.329 1.923 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623492609 450530986 /nfs/dbraw/zinc/53/09/86/450530986.db2.gz CQYZOHJPVGFTSK-CQSZACIVSA-N 2 2 336.329 1.923 20 0 EDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623597261 450548777 /nfs/dbraw/zinc/54/87/77/450548777.db2.gz DGHLBCANSSKLBX-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623597261 450548780 /nfs/dbraw/zinc/54/87/80/450548780.db2.gz DGHLBCANSSKLBX-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623597261 450548782 /nfs/dbraw/zinc/54/87/82/450548782.db2.gz DGHLBCANSSKLBX-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623597261 450548785 /nfs/dbraw/zinc/54/87/85/450548785.db2.gz DGHLBCANSSKLBX-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000623618872 450552670 /nfs/dbraw/zinc/55/26/70/450552670.db2.gz IDUPJBOPGVDVOX-NEWSRXKRSA-N 2 2 344.503 1.436 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000623618872 450552671 /nfs/dbraw/zinc/55/26/71/450552671.db2.gz IDUPJBOPGVDVOX-NEWSRXKRSA-N 2 2 344.503 1.436 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618872 450552673 /nfs/dbraw/zinc/55/26/73/450552673.db2.gz IDUPJBOPGVDVOX-NEWSRXKRSA-N 2 2 344.503 1.436 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618872 450552675 /nfs/dbraw/zinc/55/26/75/450552675.db2.gz IDUPJBOPGVDVOX-NEWSRXKRSA-N 2 2 344.503 1.436 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1sccc1Br ZINC000623619744 450552825 /nfs/dbraw/zinc/55/28/25/450552825.db2.gz VEDQCGDZZMKRPJ-NSHDSACASA-N 2 2 346.294 1.940 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1sccc1Br ZINC000623619744 450552828 /nfs/dbraw/zinc/55/28/28/450552828.db2.gz VEDQCGDZZMKRPJ-NSHDSACASA-N 2 2 346.294 1.940 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000623618360 450552904 /nfs/dbraw/zinc/55/29/04/450552904.db2.gz NVEDUPICFRSJJP-AWEZNQCLSA-N 2 2 335.839 1.417 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000623618360 450552906 /nfs/dbraw/zinc/55/29/06/450552906.db2.gz NVEDUPICFRSJJP-AWEZNQCLSA-N 2 2 335.839 1.417 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000623638401 450557562 /nfs/dbraw/zinc/55/75/62/450557562.db2.gz DSMJLNSCTVFRQX-NCOADZHNSA-N 2 2 334.508 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000623638401 450557564 /nfs/dbraw/zinc/55/75/64/450557564.db2.gz DSMJLNSCTVFRQX-NCOADZHNSA-N 2 2 334.508 1.890 20 0 EDADLP COC[C@]1(C)C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000626177658 450611338 /nfs/dbraw/zinc/61/13/38/450611338.db2.gz SFLSHZJSBLBNJK-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP COC[C@]1(C)C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000626177658 450611342 /nfs/dbraw/zinc/61/13/42/450611342.db2.gz SFLSHZJSBLBNJK-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP COC[C@@]1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000626177895 450611459 /nfs/dbraw/zinc/61/14/59/450611459.db2.gz YIKJGXDQJMKYGN-LJQANCHMSA-N 2 2 334.460 1.756 20 0 EDADLP COC[C@@]1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000626177895 450611463 /nfs/dbraw/zinc/61/14/63/450611463.db2.gz YIKJGXDQJMKYGN-LJQANCHMSA-N 2 2 334.460 1.756 20 0 EDADLP C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CC[NH+](C)CC1 ZINC000623968527 450654771 /nfs/dbraw/zinc/65/47/71/450654771.db2.gz FTBFPBCNECXGMR-HUUCEWRRSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C1CC[NH+](C)CC1 ZINC000623968527 450654774 /nfs/dbraw/zinc/65/47/74/450654774.db2.gz FTBFPBCNECXGMR-HUUCEWRRSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633091084 450675756 /nfs/dbraw/zinc/67/57/56/450675756.db2.gz HCWWBXMLUDBUOK-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633091084 450675758 /nfs/dbraw/zinc/67/57/58/450675758.db2.gz HCWWBXMLUDBUOK-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)[C@@H]1CCC[NH+]1C1CC1 ZINC000629436255 450680234 /nfs/dbraw/zinc/68/02/34/450680234.db2.gz UVHKDTGMJHTSBT-ROUUACIJSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@@H]1CCC[NH+]1C1CC1 ZINC000629436255 450680240 /nfs/dbraw/zinc/68/02/40/450680240.db2.gz UVHKDTGMJHTSBT-ROUUACIJSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@H]1C[NH+](Cc2ccncc2)CCO1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000629436255 450680246 /nfs/dbraw/zinc/68/02/46/450680246.db2.gz UVHKDTGMJHTSBT-ROUUACIJSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@H]1C[NH+](Cc2ccncc2)CCO1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000629436255 450680253 /nfs/dbraw/zinc/68/02/53/450680253.db2.gz UVHKDTGMJHTSBT-ROUUACIJSA-N 2 2 344.459 1.025 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542332 450728935 /nfs/dbraw/zinc/72/89/35/450728935.db2.gz DQIBDFNYZHRQNF-NQBHXWOUSA-N 2 2 328.254 1.729 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)c2[nH+]ccn2C)c1 ZINC000635171348 450716519 /nfs/dbraw/zinc/71/65/19/450716519.db2.gz PZAHJZPULMIDRN-KBXCAEBGSA-N 2 2 342.443 1.976 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)c2[nH+]ccn2C)c1 ZINC000635171348 450716523 /nfs/dbraw/zinc/71/65/23/450716523.db2.gz PZAHJZPULMIDRN-KBXCAEBGSA-N 2 2 342.443 1.976 20 0 EDADLP CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000629514321 450722408 /nfs/dbraw/zinc/72/24/08/450722408.db2.gz QKIOGFKAUNNDNU-UHFFFAOYSA-N 2 2 339.402 1.617 20 0 EDADLP Cc1cc(N2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC000629567156 450738928 /nfs/dbraw/zinc/73/89/28/450738928.db2.gz WZKPWUUGBPPRIU-KRWDZBQOSA-N 3 2 333.480 1.109 20 0 EDADLP Cc1cc(NCCNC(=O)NCCc2cn(C)c[nH+]2)nc(C(C)C)[nH+]1 ZINC000624188283 450739794 /nfs/dbraw/zinc/73/97/94/450739794.db2.gz BBMSRWLOWSVTCY-UHFFFAOYSA-N 2 2 345.451 1.596 20 0 EDADLP O[C@@H](CNC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000629575430 450744323 /nfs/dbraw/zinc/74/43/23/450744323.db2.gz NLTJZOBBVLASDL-OALUTQOASA-N 2 2 349.544 1.650 20 0 EDADLP O[C@@H](CNC[C@H]1CSCC[N@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000629575430 450744330 /nfs/dbraw/zinc/74/43/30/450744330.db2.gz NLTJZOBBVLASDL-OALUTQOASA-N 2 2 349.544 1.650 20 0 EDADLP C[N@H+](CCOCC[NH3+])Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000629578797 450744927 /nfs/dbraw/zinc/74/49/27/450744927.db2.gz GNSFTIUTOADNQA-UHFFFAOYSA-N 2 2 335.477 1.559 20 0 EDADLP C[N@@H+](CCOCC[NH3+])Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000629578797 450744934 /nfs/dbraw/zinc/74/49/34/450744934.db2.gz GNSFTIUTOADNQA-UHFFFAOYSA-N 2 2 335.477 1.559 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CN1c1c(F)cccc1F ZINC000629577196 450745858 /nfs/dbraw/zinc/74/58/58/450745858.db2.gz WPVXJNVFYVYSIH-STQMWFEESA-N 2 2 339.386 1.116 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629585152 450750799 /nfs/dbraw/zinc/75/07/99/450750799.db2.gz LPAIJAJFIDFGBO-KDURUIRLSA-N 2 2 331.460 1.381 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629585152 450750802 /nfs/dbraw/zinc/75/08/02/450750802.db2.gz LPAIJAJFIDFGBO-KDURUIRLSA-N 2 2 331.460 1.381 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624248906 450763032 /nfs/dbraw/zinc/76/30/32/450763032.db2.gz IQNIOHQTLQPPJD-CQSZACIVSA-N 2 2 325.416 2.141 20 0 EDADLP OCCC[N@H+]1CCC[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624248906 450763036 /nfs/dbraw/zinc/76/30/36/450763036.db2.gz IQNIOHQTLQPPJD-CQSZACIVSA-N 2 2 325.416 2.141 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627478704 450764621 /nfs/dbraw/zinc/76/46/21/450764621.db2.gz QUZCCBQSCGGJMP-ILXRZTDVSA-N 2 2 347.463 1.213 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000631790459 450778550 /nfs/dbraw/zinc/77/85/50/450778550.db2.gz RHRZLZGOWWUUDY-UHFFFAOYSA-N 2 2 345.534 1.190 20 0 EDADLP COCCOc1cc2c(cc1C[N@@H+]1C[C@@]3(C)C[NH2+]C[C@@]3(C)C1)OCO2 ZINC000629665584 450774923 /nfs/dbraw/zinc/77/49/23/450774923.db2.gz NPDZCYYAKSEZOE-KDURUIRLSA-N 2 2 348.443 1.872 20 0 EDADLP COCCOc1cc2c(cc1C[N@H+]1C[C@@]3(C)C[NH2+]C[C@@]3(C)C1)OCO2 ZINC000629665584 450774928 /nfs/dbraw/zinc/77/49/28/450774928.db2.gz NPDZCYYAKSEZOE-KDURUIRLSA-N 2 2 348.443 1.872 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1)c1ccc(F)cc1 ZINC000631866368 450835535 /nfs/dbraw/zinc/83/55/35/450835535.db2.gz OUXOZVZDOKTAAL-KGLIPLIRSA-N 2 2 337.439 1.438 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H](C)O[C@@H]3C)CC2)CC1 ZINC000633458792 450861376 /nfs/dbraw/zinc/86/13/76/450861376.db2.gz MPMRDZHZNBBTLE-JFIYKMOQSA-N 2 2 337.508 1.819 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H](C)O[C@@H]3C)CC2)CC1 ZINC000633458792 450861379 /nfs/dbraw/zinc/86/13/79/450861379.db2.gz MPMRDZHZNBBTLE-JFIYKMOQSA-N 2 2 337.508 1.819 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)C2=O)c1 ZINC000621781614 450865809 /nfs/dbraw/zinc/86/58/09/450865809.db2.gz GVHVPNMZLRPHIU-SOVGHPHASA-N 2 2 345.443 1.622 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)C2=O)c1 ZINC000621781614 450865812 /nfs/dbraw/zinc/86/58/12/450865812.db2.gz GVHVPNMZLRPHIU-SOVGHPHASA-N 2 2 345.443 1.622 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000635401570 450909357 /nfs/dbraw/zinc/90/93/57/450909357.db2.gz XDJDXBHSCBCZNT-UHFFFAOYSA-N 2 2 329.404 1.111 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742834 450914678 /nfs/dbraw/zinc/91/46/78/450914678.db2.gz OVTPWVUBPHQCKN-UHFFFAOYSA-N 2 2 346.475 1.475 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627742834 450914680 /nfs/dbraw/zinc/91/46/80/450914680.db2.gz OVTPWVUBPHQCKN-UHFFFAOYSA-N 2 2 346.475 1.475 20 0 EDADLP COCCOCC[N@H+](C)CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000635456898 450956851 /nfs/dbraw/zinc/95/68/51/450956851.db2.gz WPDRUEAMFPKRTO-UHFFFAOYSA-N 2 2 338.452 1.101 20 0 EDADLP COCCOCC[N@@H+](C)CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000635456898 450956858 /nfs/dbraw/zinc/95/68/58/450956858.db2.gz WPDRUEAMFPKRTO-UHFFFAOYSA-N 2 2 338.452 1.101 20 0 EDADLP C[C@H]([C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1)[NH+]1CCOCC1 ZINC000635506270 451000956 /nfs/dbraw/zinc/00/09/56/451000956.db2.gz QRNHOICCZYYRSK-DLBZAZTESA-N 2 2 333.476 1.386 20 0 EDADLP C[C@H]([C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1)[NH+]1CCOCC1 ZINC000635506270 451000958 /nfs/dbraw/zinc/00/09/58/451000958.db2.gz QRNHOICCZYYRSK-DLBZAZTESA-N 2 2 333.476 1.386 20 0 EDADLP C[NH2+]CCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000626926780 451009480 /nfs/dbraw/zinc/00/94/80/451009480.db2.gz DPWVTLIDULDFJJ-HNNXBMFYSA-N 2 2 349.410 1.184 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000626934156 451016429 /nfs/dbraw/zinc/01/64/29/451016429.db2.gz UEYVZKBDNLQOTO-SJORKVTESA-N 2 2 332.448 1.029 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635545435 451041617 /nfs/dbraw/zinc/04/16/17/451041617.db2.gz IORHNYKWYBYRIG-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635545435 451041621 /nfs/dbraw/zinc/04/16/21/451041621.db2.gz IORHNYKWYBYRIG-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP CC(C)(CO)[NH+]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000632146900 451071515 /nfs/dbraw/zinc/07/15/15/451071515.db2.gz VWTPJSOGDMDDOT-UHFFFAOYSA-N 2 2 328.416 1.605 20 0 EDADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000627070700 451111116 /nfs/dbraw/zinc/11/11/16/451111116.db2.gz FKZWDTIMIOWQMD-IAGOWNOFSA-N 2 2 334.464 1.440 20 0 EDADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000627070700 451111121 /nfs/dbraw/zinc/11/11/21/451111121.db2.gz FKZWDTIMIOWQMD-IAGOWNOFSA-N 2 2 334.464 1.440 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635636614 451124516 /nfs/dbraw/zinc/12/45/16/451124516.db2.gz BNFOZHWLKNGVJA-UHFFFAOYSA-N 2 2 347.503 1.730 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635636614 451124521 /nfs/dbraw/zinc/12/45/21/451124521.db2.gz BNFOZHWLKNGVJA-UHFFFAOYSA-N 2 2 347.503 1.730 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2c(Cl)oc3ccccc32)[C@@H](C[NH3+])C1 ZINC000627145565 451145621 /nfs/dbraw/zinc/14/56/21/451145621.db2.gz SGCBQOIUMXYKMA-NSHDSACASA-N 2 2 336.823 1.871 20 0 EDADLP Cc1cc(N2CC[NH+](CCn3ccccc3=O)CC2)nc(C(C)C)[nH+]1 ZINC000622500206 451159751 /nfs/dbraw/zinc/15/97/51/451159751.db2.gz HCLFPPCNEWGIGG-UHFFFAOYSA-N 2 2 341.459 1.892 20 0 EDADLP Cc1cn2ccc(C(=O)NCC3(O)CC[NH+](C(C)C)CC3)cc2[nH+]1 ZINC000635687397 451169506 /nfs/dbraw/zinc/16/95/06/451169506.db2.gz RAJBZDDQGXHBTE-UHFFFAOYSA-N 2 2 330.432 1.608 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[NH2+]1 ZINC000627203142 451185111 /nfs/dbraw/zinc/18/51/11/451185111.db2.gz VHIXSKBWSQZZKO-WXCOAYGQSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[NH2+]1 ZINC000627203142 451185114 /nfs/dbraw/zinc/18/51/14/451185114.db2.gz VHIXSKBWSQZZKO-WXCOAYGQSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000635713106 451191977 /nfs/dbraw/zinc/19/19/77/451191977.db2.gz YFTULAQSOZQORC-SDDRHHMPSA-N 2 2 334.342 1.212 20 0 EDADLP C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000635713106 451191980 /nfs/dbraw/zinc/19/19/80/451191980.db2.gz YFTULAQSOZQORC-SDDRHHMPSA-N 2 2 334.342 1.212 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2csc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000627223775 451195356 /nfs/dbraw/zinc/19/53/56/451195356.db2.gz FTLOQKSHSAEHFL-SNVBAGLBSA-N 2 2 336.383 1.551 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2csc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000627223775 451195359 /nfs/dbraw/zinc/19/53/59/451195359.db2.gz FTLOQKSHSAEHFL-SNVBAGLBSA-N 2 2 336.383 1.551 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628213923 451184332 /nfs/dbraw/zinc/18/43/32/451184332.db2.gz DKJPURQOMPDJTC-CQSZACIVSA-N 2 2 327.432 1.307 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628213923 451184338 /nfs/dbraw/zinc/18/43/38/451184338.db2.gz DKJPURQOMPDJTC-CQSZACIVSA-N 2 2 327.432 1.307 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)c3cnc(C[NH3+])nc3)CC2)s1 ZINC000638100581 451266908 /nfs/dbraw/zinc/26/69/08/451266908.db2.gz KIGKBIPAARBRHH-UHFFFAOYSA-N 2 2 345.472 1.517 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114446 451283280 /nfs/dbraw/zinc/28/32/80/451283280.db2.gz JMEAHYFEXPNFPM-LRDDRELGSA-N 2 2 343.468 1.635 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114446 451283284 /nfs/dbraw/zinc/28/32/84/451283284.db2.gz JMEAHYFEXPNFPM-LRDDRELGSA-N 2 2 343.468 1.635 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114446 451283289 /nfs/dbraw/zinc/28/32/89/451283289.db2.gz JMEAHYFEXPNFPM-LRDDRELGSA-N 2 2 343.468 1.635 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114446 451283296 /nfs/dbraw/zinc/28/32/96/451283296.db2.gz JMEAHYFEXPNFPM-LRDDRELGSA-N 2 2 343.468 1.635 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)CC1 ZINC000634194929 451232141 /nfs/dbraw/zinc/23/21/41/451232141.db2.gz YUVPDKIMJHBLEK-AWEZNQCLSA-N 3 2 340.431 1.231 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCn4cncc4C3)c2)CC1 ZINC000634194929 451232143 /nfs/dbraw/zinc/23/21/43/451232143.db2.gz YUVPDKIMJHBLEK-AWEZNQCLSA-N 2 2 340.431 1.231 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638123964 451293697 /nfs/dbraw/zinc/29/36/97/451293697.db2.gz YCAIVCRRFXATHH-IBGZPJMESA-N 2 2 346.475 1.525 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000638155512 451326026 /nfs/dbraw/zinc/32/60/26/451326026.db2.gz CKYYTLSAOYPIGG-QGZVFWFLSA-N 2 2 346.475 1.568 20 0 EDADLP CCN1CCN(C(=O)NCC2(C)CC[NH2+]CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000640499901 451349633 /nfs/dbraw/zinc/34/96/33/451349633.db2.gz GWOJSFWPLOISHI-AWEZNQCLSA-N 2 2 334.468 1.188 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000632565553 451407672 /nfs/dbraw/zinc/40/76/72/451407672.db2.gz LOVDTZRAGQXQCY-JKSUJKDBSA-N 2 2 342.443 1.328 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000632565553 451407674 /nfs/dbraw/zinc/40/76/74/451407674.db2.gz LOVDTZRAGQXQCY-JKSUJKDBSA-N 2 2 342.443 1.328 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)cc1 ZINC000635990839 451422179 /nfs/dbraw/zinc/42/21/79/451422179.db2.gz CUQBGTRDSFMFEQ-CGTJXYLNSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)cc1 ZINC000635990839 451422183 /nfs/dbraw/zinc/42/21/83/451422183.db2.gz CUQBGTRDSFMFEQ-CGTJXYLNSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000635990839 451422188 /nfs/dbraw/zinc/42/21/88/451422188.db2.gz CUQBGTRDSFMFEQ-CGTJXYLNSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC000635990839 451422194 /nfs/dbraw/zinc/42/21/94/451422194.db2.gz CUQBGTRDSFMFEQ-CGTJXYLNSA-N 2 2 329.444 1.432 20 0 EDADLP Cc1cc(NCCNC(=O)CCCn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000628825929 451433954 /nfs/dbraw/zinc/43/39/54/451433954.db2.gz DZLMHJATETXWAR-UHFFFAOYSA-N 2 2 330.436 2.113 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000638325878 451434868 /nfs/dbraw/zinc/43/48/68/451434868.db2.gz LIQSEQSCKGJANL-GJZGRUSLSA-N 2 2 332.448 1.660 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)Nc2cc[nH+]c(N(C)C)c2)C[C@H](C)O1 ZINC000640609878 451457000 /nfs/dbraw/zinc/45/70/00/451457000.db2.gz OGSDPANUBLNDSY-KBPBESRZSA-N 2 2 335.452 1.768 20 0 EDADLP Cc1ccc([C@@H](C[NH2+]C[C@@H](O)CC2(O)CCOCC2)[NH+](C)C)cc1 ZINC000634701688 451476277 /nfs/dbraw/zinc/47/62/77/451476277.db2.gz UBHZAOFWJMJSMQ-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000636070421 451484729 /nfs/dbraw/zinc/48/47/29/451484729.db2.gz AYGIOUKZEPFVFD-QAPCUYQASA-N 2 2 340.427 1.597 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000636070421 451484732 /nfs/dbraw/zinc/48/47/32/451484732.db2.gz AYGIOUKZEPFVFD-QAPCUYQASA-N 2 2 340.427 1.597 20 0 EDADLP CN(C)c1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634709774 451487922 /nfs/dbraw/zinc/48/79/22/451487922.db2.gz NWVQPYKGPUFPOO-HXUWFJFHSA-N 2 2 340.471 1.874 20 0 EDADLP CN(C)c1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000634709774 451487926 /nfs/dbraw/zinc/48/79/26/451487926.db2.gz NWVQPYKGPUFPOO-HXUWFJFHSA-N 2 2 340.471 1.874 20 0 EDADLP CN(C)c1cc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc[nH+]1 ZINC000640599466 451444803 /nfs/dbraw/zinc/44/48/03/451444803.db2.gz ASBXVRNMCPKWNB-UHFFFAOYSA-N 2 2 334.468 1.295 20 0 EDADLP CN(C)c1cc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc[nH+]1 ZINC000640599466 451444808 /nfs/dbraw/zinc/44/48/08/451444808.db2.gz ASBXVRNMCPKWNB-UHFFFAOYSA-N 2 2 334.468 1.295 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634719191 451499359 /nfs/dbraw/zinc/49/93/59/451499359.db2.gz POZVDAPKOMKFQN-CHWSQXEVSA-N 2 2 337.247 1.245 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CC1(O)CCOCC1 ZINC000634722224 451503306 /nfs/dbraw/zinc/50/33/06/451503306.db2.gz LUFFTGIOXKQLOQ-SJORKVTESA-N 2 2 326.481 1.276 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CC1(O)CCOCC1 ZINC000634722224 451503310 /nfs/dbraw/zinc/50/33/10/451503310.db2.gz LUFFTGIOXKQLOQ-SJORKVTESA-N 2 2 326.481 1.276 20 0 EDADLP O=C1[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C1CCC1 ZINC000634723255 451504217 /nfs/dbraw/zinc/50/42/17/451504217.db2.gz GYQHHPMXQQVKLE-UYAOXDASSA-N 2 2 343.471 1.366 20 0 EDADLP COc1ccccc1[C@H](CNc1nc(C)[nH+]c(N)n1)[NH+]1CCCC1 ZINC000631042452 451549729 /nfs/dbraw/zinc/54/97/29/451549729.db2.gz IVUCUIOUSFWESS-AWEZNQCLSA-N 2 2 328.420 1.442 20 0 EDADLP C[C@@H]1CCN(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631081786 451573616 /nfs/dbraw/zinc/57/36/16/451573616.db2.gz BTURTYCIEKYHDD-GOSISDBHSA-N 2 2 347.503 1.829 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631087772 451576246 /nfs/dbraw/zinc/57/62/46/451576246.db2.gz FSGHEVBBPTZVSP-IINYFYTJSA-N 2 2 343.880 1.560 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631087772 451576258 /nfs/dbraw/zinc/57/62/58/451576258.db2.gz FSGHEVBBPTZVSP-IINYFYTJSA-N 2 2 343.880 1.560 20 0 EDADLP CCc1nc(C[NH+]2CCC(CNc3nc(C)[nH+]c(N)n3)CC2)cs1 ZINC000631115131 451591607 /nfs/dbraw/zinc/59/16/07/451591607.db2.gz IBKUIFGQIVWVPY-UHFFFAOYSA-N 2 2 347.492 1.527 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000631123134 451597836 /nfs/dbraw/zinc/59/78/36/451597836.db2.gz NDYSLHZSHOCXEE-UHFFFAOYSA-N 2 2 347.507 2.546 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CC1=CCCOC1 ZINC000631136836 451603724 /nfs/dbraw/zinc/60/37/24/451603724.db2.gz RBKGPGPWTNHVOI-UHFFFAOYSA-N 2 2 332.444 1.834 20 0 EDADLP CC(C)[C@](C)(CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631141155 451605918 /nfs/dbraw/zinc/60/59/18/451605918.db2.gz SGEXQAJEIFYXON-IBGZPJMESA-N 2 2 336.476 1.894 20 0 EDADLP COCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631170243 451621374 /nfs/dbraw/zinc/62/13/74/451621374.db2.gz ZCDXAAAETGSBDG-UHFFFAOYSA-N 2 2 334.460 1.914 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638641625 451626366 /nfs/dbraw/zinc/62/63/66/451626366.db2.gz GAHLICCRWHGHLC-HLLBOEOZSA-N 2 2 348.466 1.593 20 0 EDADLP O=S1(=O)CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000634969145 451628886 /nfs/dbraw/zinc/62/88/86/451628886.db2.gz GJNNUZXWWBWEPH-UAGQMJEPSA-N 2 2 344.521 1.311 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634987200 451637762 /nfs/dbraw/zinc/63/77/62/451637762.db2.gz OPLKMABJCMZINX-MSOLQXFVSA-N 2 2 330.476 1.061 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634987200 451637765 /nfs/dbraw/zinc/63/77/65/451637765.db2.gz OPLKMABJCMZINX-MSOLQXFVSA-N 2 2 330.476 1.061 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc(C)[nH+]1 ZINC000636972144 451649812 /nfs/dbraw/zinc/64/98/12/451649812.db2.gz CRCJRLXRBMEGQW-QGZVFWFLSA-N 2 2 344.459 1.448 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc(C)[nH+]1 ZINC000636972144 451649817 /nfs/dbraw/zinc/64/98/17/451649817.db2.gz CRCJRLXRBMEGQW-QGZVFWFLSA-N 2 2 344.459 1.448 20 0 EDADLP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636328813 451682397 /nfs/dbraw/zinc/68/23/97/451682397.db2.gz ILSHIEWPRDCTIS-GOSISDBHSA-N 2 2 343.475 1.180 20 0 EDADLP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636328813 451682402 /nfs/dbraw/zinc/68/24/02/451682402.db2.gz ILSHIEWPRDCTIS-GOSISDBHSA-N 2 2 343.475 1.180 20 0 EDADLP Cc1cccn2cc(Cn3cc([C@@H]([NH3+])C4CCOCC4)nn3)[nH+]c12 ZINC000640954234 451703140 /nfs/dbraw/zinc/70/31/40/451703140.db2.gz WWIXUKGXQRNGDF-INIZCTEOSA-N 2 2 326.404 1.709 20 0 EDADLP C[NH+](C)CCc1cn(Cc2cn3cc(Br)ccc3[nH+]2)nn1 ZINC000640957693 451704270 /nfs/dbraw/zinc/70/42/70/451704270.db2.gz FCDMQOKLMAIEDL-UHFFFAOYSA-N 2 2 349.236 1.841 20 0 EDADLP COc1cccc(CC2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000638859459 451712802 /nfs/dbraw/zinc/71/28/02/451712802.db2.gz IZRDDOSBRHIWOK-SFHVURJKSA-N 2 2 333.476 1.755 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638728570 451667834 /nfs/dbraw/zinc/66/78/34/451667834.db2.gz AYJOJRRTRUURHO-IAGOWNOFSA-N 2 2 346.475 1.177 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638728570 451667839 /nfs/dbraw/zinc/66/78/39/451667839.db2.gz AYJOJRRTRUURHO-IAGOWNOFSA-N 2 2 346.475 1.177 20 0 EDADLP O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000641032241 451735772 /nfs/dbraw/zinc/73/57/72/451735772.db2.gz HFSPPCABRKVCOW-QGZVFWFLSA-N 2 2 334.439 1.795 20 0 EDADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636494774 451736381 /nfs/dbraw/zinc/73/63/81/451736381.db2.gz UAFWJQJJYJMCGS-KRWDZBQOSA-N 2 2 339.443 1.903 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1nc2cccnc2s1 ZINC000638983772 451745930 /nfs/dbraw/zinc/74/59/30/451745930.db2.gz FAYXXOSLIGDAAK-UHFFFAOYSA-N 2 2 340.412 1.748 20 0 EDADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641113021 451753490 /nfs/dbraw/zinc/75/34/90/451753490.db2.gz UMACKZUAXFEFIF-UHFFFAOYSA-N 2 2 328.464 1.601 20 0 EDADLP C[N@H+](Cc1ccc(S(N)(=O)=O)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161369 451781852 /nfs/dbraw/zinc/78/18/52/451781852.db2.gz CDYRIBKSOFFCBG-FOSCPWQOSA-N 2 2 329.491 1.453 20 0 EDADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639161369 451781854 /nfs/dbraw/zinc/78/18/54/451781854.db2.gz CDYRIBKSOFFCBG-FOSCPWQOSA-N 2 2 329.491 1.453 20 0 EDADLP C[NH+](Cc1ccc(S(N)(=O)=O)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161369 451781857 /nfs/dbraw/zinc/78/18/57/451781857.db2.gz CDYRIBKSOFFCBG-FOSCPWQOSA-N 2 2 329.491 1.453 20 0 EDADLP C[NH+](Cc1ccc(S(N)(=O)=O)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639161369 451781858 /nfs/dbraw/zinc/78/18/58/451781858.db2.gz CDYRIBKSOFFCBG-FOSCPWQOSA-N 2 2 329.491 1.453 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639178580 451786761 /nfs/dbraw/zinc/78/67/61/451786761.db2.gz MWLMIKWZVWNOFL-RISCZKNCSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639178580 451786763 /nfs/dbraw/zinc/78/67/63/451786763.db2.gz MWLMIKWZVWNOFL-RISCZKNCSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639178580 451786765 /nfs/dbraw/zinc/78/67/65/451786765.db2.gz MWLMIKWZVWNOFL-RISCZKNCSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639178580 451786768 /nfs/dbraw/zinc/78/67/68/451786768.db2.gz MWLMIKWZVWNOFL-RISCZKNCSA-N 2 2 345.896 1.759 20 0 EDADLP C[NH+]1CCC(N(Cc2ccccc2)Cc2c[nH+]c(N)nc2N)CC1 ZINC000639178292 451786905 /nfs/dbraw/zinc/78/69/05/451786905.db2.gz HQFIXCCDJPPAGP-UHFFFAOYSA-N 2 2 326.448 1.398 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000639210488 451792497 /nfs/dbraw/zinc/79/24/97/451792497.db2.gz GISROFCROMSMMY-GUDVDZBRSA-N 2 2 334.460 1.047 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000639210488 451792498 /nfs/dbraw/zinc/79/24/98/451792498.db2.gz GISROFCROMSMMY-GUDVDZBRSA-N 2 2 334.460 1.047 20 0 EDADLP C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639269853 451801661 /nfs/dbraw/zinc/80/16/61/451801661.db2.gz LUVCDCSXBMSUAZ-PKOBYXMFSA-N 2 2 348.487 1.990 20 0 EDADLP C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639269853 451801665 /nfs/dbraw/zinc/80/16/65/451801665.db2.gz LUVCDCSXBMSUAZ-PKOBYXMFSA-N 2 2 348.487 1.990 20 0 EDADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637440012 451855926 /nfs/dbraw/zinc/85/59/26/451855926.db2.gz GAWWARVVVSIQQO-OAHLLOKOSA-N 2 2 340.493 1.152 20 0 EDADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637440012 451855932 /nfs/dbraw/zinc/85/59/32/451855932.db2.gz GAWWARVVVSIQQO-OAHLLOKOSA-N 2 2 340.493 1.152 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000642304677 451856682 /nfs/dbraw/zinc/85/66/82/451856682.db2.gz XIBFCEJNTWHANS-UHFFFAOYSA-N 2 2 346.475 1.359 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000642304677 451856693 /nfs/dbraw/zinc/85/66/93/451856693.db2.gz XIBFCEJNTWHANS-UHFFFAOYSA-N 2 2 346.475 1.359 20 0 EDADLP COCCOCC[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000651484895 451859054 /nfs/dbraw/zinc/85/90/54/451859054.db2.gz MEJFTGUHALCZFN-UHFFFAOYSA-N 2 2 344.253 1.629 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1 ZINC000644562399 451862469 /nfs/dbraw/zinc/86/24/69/451862469.db2.gz OGVYQAMOOBBUOC-OAHLLOKOSA-N 2 2 348.447 1.414 20 0 EDADLP O=C(CC[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)Nc1ccccc1 ZINC000644569686 451867213 /nfs/dbraw/zinc/86/72/13/451867213.db2.gz LPWPKVWOFXOAQK-SFHVURJKSA-N 2 2 346.475 1.011 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCc1c[nH+]c2n1CCCC2 ZINC000644643345 451913430 /nfs/dbraw/zinc/91/34/30/451913430.db2.gz QHANKSNTYVWIIH-SFHVURJKSA-N 2 2 328.460 1.802 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)CNCc1c[nH+]c2n1CCCC2 ZINC000644643345 451913439 /nfs/dbraw/zinc/91/34/39/451913439.db2.gz QHANKSNTYVWIIH-SFHVURJKSA-N 2 2 328.460 1.802 20 0 EDADLP CC[N@@H+]1CCN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[C@@H]1C ZINC000641391736 451928069 /nfs/dbraw/zinc/92/80/69/451928069.db2.gz BOADEHKHCSMTRP-AWEZNQCLSA-N 2 2 337.489 1.389 20 0 EDADLP CC[N@H+]1CCN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[C@@H]1C ZINC000641391736 451928070 /nfs/dbraw/zinc/92/80/70/451928070.db2.gz BOADEHKHCSMTRP-AWEZNQCLSA-N 2 2 337.489 1.389 20 0 EDADLP CC[NH+]1CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[C@@H]1C ZINC000641391736 451928072 /nfs/dbraw/zinc/92/80/72/451928072.db2.gz BOADEHKHCSMTRP-AWEZNQCLSA-N 2 2 337.489 1.389 20 0 EDADLP CC[NH+]1CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[C@@H]1C ZINC000641391736 451928073 /nfs/dbraw/zinc/92/80/73/451928073.db2.gz BOADEHKHCSMTRP-AWEZNQCLSA-N 2 2 337.489 1.389 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC1CCC([NH3+])CC1 ZINC000649270297 451943642 /nfs/dbraw/zinc/94/36/42/451943642.db2.gz ZBIUJJHVOUEZGS-HTWSVDAQSA-N 3 2 341.459 1.187 20 0 EDADLP Cc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)c(N2CCCC2)[nH+]1 ZINC000642735198 451943795 /nfs/dbraw/zinc/94/37/95/451943795.db2.gz GLQDUYCPKIJCBI-UHFFFAOYSA-N 2 2 340.431 1.912 20 0 EDADLP CN(CCN1CC[NH2+]CC1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000649271565 451944247 /nfs/dbraw/zinc/94/42/47/451944247.db2.gz MNPQEZQIEKCFHG-UHFFFAOYSA-N 2 2 340.427 1.851 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000649285605 451958455 /nfs/dbraw/zinc/95/84/55/451958455.db2.gz HOOGXJGGOFKPDF-GDBMZVCRSA-N 2 2 344.459 1.401 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000649306299 451983231 /nfs/dbraw/zinc/98/32/31/451983231.db2.gz LDHXPZPJIZVFDC-SFHVURJKSA-N 2 2 339.443 1.553 20 0 EDADLP COC[C@H](CC(C)(C)C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000651694887 452018987 /nfs/dbraw/zinc/01/89/87/452018987.db2.gz UXWWGVJUDAOPBQ-HOTGVXAUSA-N 2 2 327.513 1.970 20 0 EDADLP COC[C@H](CC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000651694887 452018992 /nfs/dbraw/zinc/01/89/92/452018992.db2.gz UXWWGVJUDAOPBQ-HOTGVXAUSA-N 2 2 327.513 1.970 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639682084 452021666 /nfs/dbraw/zinc/02/16/66/452021666.db2.gz KEFCLVIPMNBNDQ-KRWDZBQOSA-N 3 2 345.491 1.146 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639682084 452021670 /nfs/dbraw/zinc/02/16/70/452021670.db2.gz KEFCLVIPMNBNDQ-KRWDZBQOSA-N 3 2 345.491 1.146 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000643056222 452028659 /nfs/dbraw/zinc/02/86/59/452028659.db2.gz FCORCZPNFGVGGE-QGZVFWFLSA-N 2 2 346.475 1.571 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000643077523 452034510 /nfs/dbraw/zinc/03/45/10/452034510.db2.gz OMRNFMHAGHNKOV-CLCXKQKWSA-N 2 2 341.459 1.465 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[NH2+]C[C@@](C)(F)C3)CC2)[nH+]c1 ZINC000647065029 452038209 /nfs/dbraw/zinc/03/82/09/452038209.db2.gz LMXVSJPFBCUFJW-GOSISDBHSA-N 2 2 334.439 1.766 20 0 EDADLP CC(C)c1n[nH]c(CC2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000639716297 452057446 /nfs/dbraw/zinc/05/74/46/452057446.db2.gz JZPKPIQFDLWFCH-MRXNPFEDSA-N 2 2 337.512 1.884 20 0 EDADLP CC(C)c1n[nH]c(CC2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000639716297 452057449 /nfs/dbraw/zinc/05/74/49/452057449.db2.gz JZPKPIQFDLWFCH-MRXNPFEDSA-N 2 2 337.512 1.884 20 0 EDADLP CC(C)c1nnc(CC2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)[nH]1 ZINC000639716297 452057454 /nfs/dbraw/zinc/05/74/54/452057454.db2.gz JZPKPIQFDLWFCH-MRXNPFEDSA-N 2 2 337.512 1.884 20 0 EDADLP CC(C)c1nnc(CC2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)[nH]1 ZINC000639716297 452057457 /nfs/dbraw/zinc/05/74/57/452057457.db2.gz JZPKPIQFDLWFCH-MRXNPFEDSA-N 2 2 337.512 1.884 20 0 EDADLP CC(C)c1nc(CC2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)n[nH]1 ZINC000639716297 452057460 /nfs/dbraw/zinc/05/74/60/452057460.db2.gz JZPKPIQFDLWFCH-MRXNPFEDSA-N 2 2 337.512 1.884 20 0 EDADLP CC(C)c1nc(CC2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)n[nH]1 ZINC000639716297 452057463 /nfs/dbraw/zinc/05/74/63/452057463.db2.gz JZPKPIQFDLWFCH-MRXNPFEDSA-N 2 2 337.512 1.884 20 0 EDADLP COCC1(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CC[NH2+]CC1 ZINC000647098639 452059631 /nfs/dbraw/zinc/05/96/31/452059631.db2.gz WYKSPVYYGRMHBR-UHFFFAOYSA-N 2 2 330.432 1.318 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)CCC[NH3+])CC2)cc1 ZINC000649410046 452074019 /nfs/dbraw/zinc/07/40/19/452074019.db2.gz JSDVDOJWYGWWPJ-UHFFFAOYSA-N 3 2 346.519 1.735 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CCC[NH3+])CC2)cc1 ZINC000649410046 452074029 /nfs/dbraw/zinc/07/40/29/452074029.db2.gz JSDVDOJWYGWWPJ-UHFFFAOYSA-N 3 2 346.519 1.735 20 0 EDADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762891 452101682 /nfs/dbraw/zinc/10/16/82/452101682.db2.gz ANZAYTBSTMZPTK-CRAIPNDOSA-N 2 2 325.497 1.460 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000653779344 452110530 /nfs/dbraw/zinc/11/05/30/452110530.db2.gz XAFMDCAGWJARFO-CWRNSKLLSA-N 2 2 336.480 1.760 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000653779344 452110535 /nfs/dbraw/zinc/11/05/35/452110535.db2.gz XAFMDCAGWJARFO-CWRNSKLLSA-N 2 2 336.480 1.760 20 0 EDADLP Cc1cc(N2CCC[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)nc(C)[nH+]1 ZINC000649513443 452116949 /nfs/dbraw/zinc/11/69/49/452116949.db2.gz LPWUJTQWEZCZNR-HNNXBMFYSA-N 2 2 326.448 1.995 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000649530230 452128245 /nfs/dbraw/zinc/12/82/45/452128245.db2.gz OLFZDKFVRFBMSE-RTBURBONSA-N 2 2 342.487 1.504 20 0 EDADLP C[N@H+]1CCC[C@@H]1CN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000649530230 452128252 /nfs/dbraw/zinc/12/82/52/452128252.db2.gz OLFZDKFVRFBMSE-RTBURBONSA-N 2 2 342.487 1.504 20 0 EDADLP CC(C)Oc1cc[nH+]c(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000649552757 452141131 /nfs/dbraw/zinc/14/11/31/452141131.db2.gz VKLSREPYPCNMIZ-GOSISDBHSA-N 2 2 346.475 1.607 20 0 EDADLP CC(C)Oc1cc[nH+]c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000649552757 452141137 /nfs/dbraw/zinc/14/11/37/452141137.db2.gz VKLSREPYPCNMIZ-GOSISDBHSA-N 2 2 346.475 1.607 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)NCCCNc1cccc[nH+]1)CCO2 ZINC000645173287 452192667 /nfs/dbraw/zinc/19/26/67/452192667.db2.gz CNTFWOXEXFQCJQ-UHFFFAOYSA-N 2 2 347.463 1.390 20 0 EDADLP CC(C)O[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000645234711 452227817 /nfs/dbraw/zinc/22/78/17/452227817.db2.gz WVQAYYUAQGNUKG-DOTOQJQBSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)O[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000645234711 452227825 /nfs/dbraw/zinc/22/78/25/452227825.db2.gz WVQAYYUAQGNUKG-DOTOQJQBSA-N 2 2 338.496 1.364 20 0 EDADLP COC[C@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000649761622 452237246 /nfs/dbraw/zinc/23/72/46/452237246.db2.gz FLGUAMFWDCTCMB-OAGGEKHMSA-N 2 2 333.432 1.096 20 0 EDADLP COC[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000649761622 452237254 /nfs/dbraw/zinc/23/72/54/452237254.db2.gz FLGUAMFWDCTCMB-OAGGEKHMSA-N 2 2 333.432 1.096 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000639919023 452237383 /nfs/dbraw/zinc/23/73/83/452237383.db2.gz OMHHWRQOPKDIIU-AWEZNQCLSA-N 2 2 345.365 1.102 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1(C)C ZINC000641752225 452237564 /nfs/dbraw/zinc/23/75/64/452237564.db2.gz ULVKSMDBKUURDT-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1(C)C ZINC000641752225 452237569 /nfs/dbraw/zinc/23/75/69/452237569.db2.gz ULVKSMDBKUURDT-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC3CC[NH+](CC4CC4)CC3)nc[nH+]2)C1 ZINC000665693128 452248314 /nfs/dbraw/zinc/24/83/14/452248314.db2.gz WFAVNYHIXVYIGH-GDBMZVCRSA-N 2 2 345.491 1.970 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC3CC[NH+](CC4CC4)CC3)[nH+]cn2)C1 ZINC000665693128 452248325 /nfs/dbraw/zinc/24/83/25/452248325.db2.gz WFAVNYHIXVYIGH-GDBMZVCRSA-N 2 2 345.491 1.970 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCOC1 ZINC000641784367 452253228 /nfs/dbraw/zinc/25/32/28/452253228.db2.gz CHJNIOQALSMJCW-OKZBNKHCSA-N 2 2 325.497 1.188 20 0 EDADLP O=C1[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CCN1Cc1ccc(F)cc1 ZINC000657446713 452254369 /nfs/dbraw/zinc/25/43/69/452254369.db2.gz LFPFKOPHBJWJFH-INIZCTEOSA-N 2 2 328.391 1.859 20 0 EDADLP COCCOCC[NH+]1CCN(Cc2c[nH+]c3cccc(C)n23)CC1 ZINC000652062670 452254926 /nfs/dbraw/zinc/25/49/26/452254926.db2.gz SBXJJXQXJLGCGW-UHFFFAOYSA-N 2 2 332.448 1.423 20 0 EDADLP COC1(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000641786478 452261248 /nfs/dbraw/zinc/26/12/48/452261248.db2.gz CEWLNHKKYZCJMQ-GOSISDBHSA-N 2 2 339.524 1.722 20 0 EDADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000641788024 452262351 /nfs/dbraw/zinc/26/23/51/452262351.db2.gz XGMOZWMADRLMPP-QRVBRYPASA-N 2 2 339.524 1.576 20 0 EDADLP c1ccc2oc(C[NH2+][C@H]3CCCN(CC[NH+]4CCOCC4)C3)nc2c1 ZINC000641787558 452264013 /nfs/dbraw/zinc/26/40/13/452264013.db2.gz VGZURDMXEGEIAE-INIZCTEOSA-N 2 2 344.459 1.714 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000643495423 452264687 /nfs/dbraw/zinc/26/46/87/452264687.db2.gz IATOZDFKSBTCLT-KXBFYZLASA-N 3 2 344.503 1.472 20 0 EDADLP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657466896 452265877 /nfs/dbraw/zinc/26/58/77/452265877.db2.gz ROSUOMAVRRYPEE-AWEZNQCLSA-N 2 2 346.456 1.382 20 0 EDADLP C[C@@]1(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC[NH2+]C1 ZINC000647538218 452271436 /nfs/dbraw/zinc/27/14/36/452271436.db2.gz JFQMCNSULWEMRV-IAGOWNOFSA-N 2 2 337.489 1.892 20 0 EDADLP C[C@@]1(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC[NH2+]C1 ZINC000647538218 452271448 /nfs/dbraw/zinc/27/14/48/452271448.db2.gz JFQMCNSULWEMRV-IAGOWNOFSA-N 2 2 337.489 1.892 20 0 EDADLP c1nc2ccccn2c1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000647537386 452271842 /nfs/dbraw/zinc/27/18/42/452271842.db2.gz XPAXHEQUAQBTMK-UHFFFAOYSA-N 2 2 337.431 1.409 20 0 EDADLP COc1ccc(-c2noc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)n2)c(OC)c1 ZINC000641802434 452277541 /nfs/dbraw/zinc/27/75/41/452277541.db2.gz KWGNZMLJEBJVBN-UONOGXRCSA-N 2 2 332.404 1.969 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000654137763 452280241 /nfs/dbraw/zinc/28/02/41/452280241.db2.gz LSXPHCASHDHGED-FUHWJXTLSA-N 2 2 330.476 1.989 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000654137763 452280243 /nfs/dbraw/zinc/28/02/43/452280243.db2.gz LSXPHCASHDHGED-FUHWJXTLSA-N 2 2 330.476 1.989 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000638051381 452322638 /nfs/dbraw/zinc/32/26/38/452322638.db2.gz GWDKNEYKCWUCKP-DLBZAZTESA-N 2 2 333.432 1.018 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)s1 ZINC000639995891 452325354 /nfs/dbraw/zinc/32/53/54/452325354.db2.gz ZWONYLBDSGBYJU-GFCCVEGCSA-N 2 2 340.493 1.329 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000638052040 452327196 /nfs/dbraw/zinc/32/71/96/452327196.db2.gz VPXHPPDNENFUBL-PKOBYXMFSA-N 2 2 331.460 1.406 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000638054674 452337341 /nfs/dbraw/zinc/33/73/41/452337341.db2.gz DZHBZOLEBPRCDC-QGZVFWFLSA-N 2 2 329.444 1.777 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659483718 452344575 /nfs/dbraw/zinc/34/45/75/452344575.db2.gz GCOZYYHIKVYGTP-HOTGVXAUSA-N 2 2 331.464 1.619 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCCC3CC[NH2+]CC3)[nH+]c12 ZINC000652162096 452356644 /nfs/dbraw/zinc/35/66/44/452356644.db2.gz FWLMBEQBXMKVTN-UHFFFAOYSA-N 2 2 329.448 1.874 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000638062762 452357765 /nfs/dbraw/zinc/35/77/65/452357765.db2.gz WEGAZJNIEDCSIR-CRAIPNDOSA-N 2 2 332.448 1.455 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C[N@@H+]1C1CC1 ZINC000657593997 452360192 /nfs/dbraw/zinc/36/01/92/452360192.db2.gz GDVBSOZNNPKNRZ-BPAFIMBUSA-N 3 2 329.488 1.968 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C[N@H+]1C1CC1 ZINC000657593997 452360197 /nfs/dbraw/zinc/36/01/97/452360197.db2.gz GDVBSOZNNPKNRZ-BPAFIMBUSA-N 3 2 329.488 1.968 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C[NH+]1C1CC1 ZINC000657593997 452360206 /nfs/dbraw/zinc/36/02/06/452360206.db2.gz GDVBSOZNNPKNRZ-BPAFIMBUSA-N 3 2 329.488 1.968 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[NH+]1C1CC1 ZINC000657593997 452360218 /nfs/dbraw/zinc/36/02/18/452360218.db2.gz GDVBSOZNNPKNRZ-BPAFIMBUSA-N 3 2 329.488 1.968 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cn21 ZINC000652176825 452372209 /nfs/dbraw/zinc/37/22/09/452372209.db2.gz RSWLDCHMYLSASO-KSSFIOAISA-N 2 2 327.432 1.913 20 0 EDADLP CCCc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000645407639 452377868 /nfs/dbraw/zinc/37/78/68/452377868.db2.gz LSOCIBDBUGCLKZ-CQSZACIVSA-N 2 2 334.464 1.834 20 0 EDADLP CCCc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000645407639 452377879 /nfs/dbraw/zinc/37/78/79/452377879.db2.gz LSOCIBDBUGCLKZ-CQSZACIVSA-N 2 2 334.464 1.834 20 0 EDADLP COc1c(F)cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000665809998 452385193 /nfs/dbraw/zinc/38/51/93/452385193.db2.gz GAEXTHCUZCNMEY-UHFFFAOYSA-N 2 2 344.406 1.978 20 0 EDADLP COc1c(F)cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000665809998 452385202 /nfs/dbraw/zinc/38/52/02/452385202.db2.gz GAEXTHCUZCNMEY-UHFFFAOYSA-N 2 2 344.406 1.978 20 0 EDADLP C[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)Cn1cc[nH+]c1 ZINC000638076421 452389785 /nfs/dbraw/zinc/38/97/85/452389785.db2.gz KMWFTNJNYDPYPU-NVXWUHKLSA-N 2 2 329.448 1.095 20 0 EDADLP C[C@H](CNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)Cn1cc[nH+]c1 ZINC000638076421 452389790 /nfs/dbraw/zinc/38/97/90/452389790.db2.gz KMWFTNJNYDPYPU-NVXWUHKLSA-N 2 2 329.448 1.095 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)[nH+]c1 ZINC000663673072 452410058 /nfs/dbraw/zinc/41/00/58/452410058.db2.gz YEOSXNZOXPZAJD-JKSUJKDBSA-N 2 2 349.479 1.600 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)[nH+]c1 ZINC000663673072 452410069 /nfs/dbraw/zinc/41/00/69/452410069.db2.gz YEOSXNZOXPZAJD-JKSUJKDBSA-N 2 2 349.479 1.600 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000663736617 452470170 /nfs/dbraw/zinc/47/01/70/452470170.db2.gz PHWZEUDQLLDVFS-AWEZNQCLSA-N 2 2 348.451 1.374 20 0 EDADLP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1F ZINC000661662235 452474173 /nfs/dbraw/zinc/47/41/73/452474173.db2.gz WPDIHQYMAIDXCM-INIZCTEOSA-N 2 2 335.423 1.745 20 0 EDADLP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1F ZINC000661662235 452474181 /nfs/dbraw/zinc/47/41/81/452474181.db2.gz WPDIHQYMAIDXCM-INIZCTEOSA-N 2 2 335.423 1.745 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655688958 452513135 /nfs/dbraw/zinc/51/31/35/452513135.db2.gz QMZUUIHNKCUJLQ-LJQANCHMSA-N 3 2 338.540 1.247 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655688958 452513142 /nfs/dbraw/zinc/51/31/42/452513142.db2.gz QMZUUIHNKCUJLQ-LJQANCHMSA-N 3 2 338.540 1.247 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652341205 452513238 /nfs/dbraw/zinc/51/32/38/452513238.db2.gz PYTMZTYVNNOMIE-XNJGSVPQSA-N 2 2 337.489 1.603 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)[C@H]2C1 ZINC000663785294 452515887 /nfs/dbraw/zinc/51/58/87/452515887.db2.gz XZIUUBZJZWPOAG-GJZGRUSLSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)[C@H]2C1 ZINC000663785294 452515896 /nfs/dbraw/zinc/51/58/96/452515896.db2.gz XZIUUBZJZWPOAG-GJZGRUSLSA-N 2 2 331.464 1.358 20 0 EDADLP c1cnc(N2CCC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)nc1 ZINC000655695068 452516502 /nfs/dbraw/zinc/51/65/02/452516502.db2.gz PVMAMXLAOCFYEP-IAGOWNOFSA-N 2 2 331.464 1.288 20 0 EDADLP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(OC)c1O ZINC000655705034 452524160 /nfs/dbraw/zinc/52/41/60/452524160.db2.gz UOQJCSSPISSJKX-HNNXBMFYSA-N 2 2 336.432 1.752 20 0 EDADLP COC1(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CCOCC1 ZINC000657800725 452536131 /nfs/dbraw/zinc/53/61/31/452536131.db2.gz JDHZBIBEWNGHHA-LJQANCHMSA-N 2 2 347.503 1.588 20 0 EDADLP COC1(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCOCC1 ZINC000657800725 452536136 /nfs/dbraw/zinc/53/61/36/452536136.db2.gz JDHZBIBEWNGHHA-LJQANCHMSA-N 2 2 347.503 1.588 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000654478644 452546784 /nfs/dbraw/zinc/54/67/84/452546784.db2.gz GYTYUFGKDZZRFJ-HNNXBMFYSA-N 2 2 344.459 1.355 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000654478644 452546791 /nfs/dbraw/zinc/54/67/91/452546791.db2.gz GYTYUFGKDZZRFJ-HNNXBMFYSA-N 2 2 344.459 1.355 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000647821153 452552458 /nfs/dbraw/zinc/55/24/58/452552458.db2.gz CJZHGYILSPLWNP-JKSUJKDBSA-N 2 2 328.416 1.198 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000647821153 452552466 /nfs/dbraw/zinc/55/24/66/452552466.db2.gz CJZHGYILSPLWNP-JKSUJKDBSA-N 2 2 328.416 1.198 20 0 EDADLP NC(=O)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655755136 452560002 /nfs/dbraw/zinc/56/00/02/452560002.db2.gz QRQJDTKTMDTFMQ-DLBZAZTESA-N 2 2 335.423 1.585 20 0 EDADLP CCc1ccc(-c2noc(C[N@H+](C)CCN3CC[NH2+]CC3)n2)cc1 ZINC000647834948 452569026 /nfs/dbraw/zinc/56/90/26/452569026.db2.gz GTRXJUVPPKRYJT-UHFFFAOYSA-N 2 2 329.448 1.636 20 0 EDADLP CCc1ccc(-c2noc(C[N@@H+](C)CCN3CC[NH2+]CC3)n2)cc1 ZINC000647834948 452569033 /nfs/dbraw/zinc/56/90/33/452569033.db2.gz GTRXJUVPPKRYJT-UHFFFAOYSA-N 2 2 329.448 1.636 20 0 EDADLP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655780860 452575305 /nfs/dbraw/zinc/57/53/05/452575305.db2.gz ONNXCNLEWBNOCN-DOTOQJQBSA-N 2 2 331.460 1.606 20 0 EDADLP Cc1c(NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c(=O)n(-c2ccccc2)n1C ZINC000647850115 452582254 /nfs/dbraw/zinc/58/22/54/452582254.db2.gz FSUAZPYCRSKHGT-AWEZNQCLSA-N 2 2 345.447 1.092 20 0 EDADLP Cc1c(NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c(=O)n(-c2ccccc2)n1C ZINC000647850115 452582259 /nfs/dbraw/zinc/58/22/59/452582259.db2.gz FSUAZPYCRSKHGT-AWEZNQCLSA-N 2 2 345.447 1.092 20 0 EDADLP C[N@H+](CCC[NH3+])[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000647848039 452582787 /nfs/dbraw/zinc/58/27/87/452582787.db2.gz ADEGHVKLOQDCGJ-CYBMUJFWSA-N 2 2 331.338 1.971 20 0 EDADLP C[N@@H+](CCC[NH3+])[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000647848039 452582793 /nfs/dbraw/zinc/58/27/93/452582793.db2.gz ADEGHVKLOQDCGJ-CYBMUJFWSA-N 2 2 331.338 1.971 20 0 EDADLP O=C(c1ccc(Cl)cc1F)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647884077 452622388 /nfs/dbraw/zinc/62/23/88/452622388.db2.gz DHIURPIAXVKBFH-GFCCVEGCSA-N 2 2 325.815 1.846 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654546448 452627274 /nfs/dbraw/zinc/62/72/74/452627274.db2.gz UHGLJYMFPFQNMK-HOTGVXAUSA-N 2 2 336.480 1.167 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654546448 452627281 /nfs/dbraw/zinc/62/72/81/452627281.db2.gz UHGLJYMFPFQNMK-HOTGVXAUSA-N 2 2 336.480 1.167 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659742349 452639259 /nfs/dbraw/zinc/63/92/59/452639259.db2.gz TWQJSOIMZDIACR-CABCVRRESA-N 2 2 349.479 1.446 20 0 EDADLP Cc1nc(N2CC(C[NH+]3CCOCC3)C2)c(Br)c(C)[nH+]1 ZINC000663928283 452649598 /nfs/dbraw/zinc/64/95/98/452649598.db2.gz JLCMKQJOPLFTED-UHFFFAOYSA-N 2 2 341.253 1.624 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000643797270 452665600 /nfs/dbraw/zinc/66/56/00/452665600.db2.gz ZUAAVGFXLKAWHW-CQSZACIVSA-N 2 2 343.435 1.008 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC[C@@H]1[NH3+] ZINC000647936597 452675685 /nfs/dbraw/zinc/67/56/85/452675685.db2.gz IEATVPOYYPNVMY-JLSDUUJJSA-N 2 2 349.450 1.785 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC[C@@H]1[NH3+] ZINC000647936597 452675688 /nfs/dbraw/zinc/67/56/88/452675688.db2.gz IEATVPOYYPNVMY-JLSDUUJJSA-N 2 2 349.450 1.785 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC[C@H]1[NH3+] ZINC000647938579 452679891 /nfs/dbraw/zinc/67/98/91/452679891.db2.gz PZCWUOBCZNNRAV-KLHDSHLOSA-N 2 2 347.459 1.390 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC[C@H]1[NH3+] ZINC000647938579 452679900 /nfs/dbraw/zinc/67/99/00/452679900.db2.gz PZCWUOBCZNNRAV-KLHDSHLOSA-N 2 2 347.459 1.390 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)[nH+]1 ZINC000654594667 452681177 /nfs/dbraw/zinc/68/11/77/452681177.db2.gz GGHIGMMJSOXKSC-HRCADAONSA-N 2 2 334.464 1.995 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)[nH+]1 ZINC000654594667 452681184 /nfs/dbraw/zinc/68/11/84/452681184.db2.gz GGHIGMMJSOXKSC-HRCADAONSA-N 2 2 334.464 1.995 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000664002548 452704322 /nfs/dbraw/zinc/70/43/22/452704322.db2.gz HXXMVQMBAAYAGI-IAGOWNOFSA-N 2 2 338.496 1.223 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000664002548 452704331 /nfs/dbraw/zinc/70/43/31/452704331.db2.gz HXXMVQMBAAYAGI-IAGOWNOFSA-N 2 2 338.496 1.223 20 0 EDADLP CN1c2ccccc2C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000658108136 452728418 /nfs/dbraw/zinc/72/84/18/452728418.db2.gz PKJNBWXLGZYNMC-SJORKVTESA-N 2 2 329.444 1.417 20 0 EDADLP CN1c2ccccc2C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000658108118 452728509 /nfs/dbraw/zinc/72/85/09/452728509.db2.gz PKJNBWXLGZYNMC-DLBZAZTESA-N 2 2 329.444 1.417 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCOc2ccccc21 ZINC000664043064 452740240 /nfs/dbraw/zinc/74/02/40/452740240.db2.gz NQSXJYVQZGXEBS-MRXNPFEDSA-N 2 2 348.491 1.735 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCOc2ccccc21 ZINC000664043064 452740249 /nfs/dbraw/zinc/74/02/49/452740249.db2.gz NQSXJYVQZGXEBS-MRXNPFEDSA-N 2 2 348.491 1.735 20 0 EDADLP C[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649267 452740571 /nfs/dbraw/zinc/74/05/71/452740571.db2.gz AQRLMXBLSVNWBU-HRCADAONSA-N 2 2 349.479 1.727 20 0 EDADLP C[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649267 452740580 /nfs/dbraw/zinc/74/05/80/452740580.db2.gz AQRLMXBLSVNWBU-HRCADAONSA-N 2 2 349.479 1.727 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000648032309 452769065 /nfs/dbraw/zinc/76/90/65/452769065.db2.gz ANZGTDGCVOTDPV-WMLDXEAASA-N 2 2 329.448 1.826 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1[nH+]ccn1C ZINC000662096937 452838371 /nfs/dbraw/zinc/83/83/71/452838371.db2.gz MFVKNLBTSWZJHF-CABCVRRESA-N 2 2 335.452 1.235 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000666396132 452841620 /nfs/dbraw/zinc/84/16/20/452841620.db2.gz NFGDYECSETUIJJ-CYBMUJFWSA-N 2 2 335.452 1.688 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000658340160 452853865 /nfs/dbraw/zinc/85/38/65/452853865.db2.gz BONBTGCBRZFKRH-ROUUACIJSA-N 2 2 344.503 1.449 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000658340160 452853880 /nfs/dbraw/zinc/85/38/80/452853880.db2.gz BONBTGCBRZFKRH-ROUUACIJSA-N 2 2 344.503 1.449 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)on2)cn1 ZINC000662151239 452887300 /nfs/dbraw/zinc/88/73/00/452887300.db2.gz GTCYQDZLPRRKEC-HNNXBMFYSA-N 2 2 331.420 1.106 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)on2)cn1 ZINC000662151239 452887306 /nfs/dbraw/zinc/88/73/06/452887306.db2.gz GTCYQDZLPRRKEC-HNNXBMFYSA-N 2 2 331.420 1.106 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1CC[NH3+] ZINC000650711009 452947114 /nfs/dbraw/zinc/94/71/14/452947114.db2.gz GEKBNVBLSMMXHZ-WBVHZDCISA-N 3 2 332.496 1.178 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1CC[NH3+] ZINC000650711009 452947121 /nfs/dbraw/zinc/94/71/21/452947121.db2.gz GEKBNVBLSMMXHZ-WBVHZDCISA-N 3 2 332.496 1.178 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977881 452965869 /nfs/dbraw/zinc/96/58/69/452965869.db2.gz MIYIOTVAGMHEMP-PKOBYXMFSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977881 452965876 /nfs/dbraw/zinc/96/58/76/452965876.db2.gz MIYIOTVAGMHEMP-PKOBYXMFSA-N 3 2 344.503 1.751 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](CC(F)(F)F)O1 ZINC000662238062 452967434 /nfs/dbraw/zinc/96/74/34/452967434.db2.gz QYNYFYVDFLTSGD-STQMWFEESA-N 2 2 337.386 1.192 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](CC(F)(F)F)O1 ZINC000662238062 452967447 /nfs/dbraw/zinc/96/74/47/452967447.db2.gz QYNYFYVDFLTSGD-STQMWFEESA-N 2 2 337.386 1.192 20 0 EDADLP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286014 453009236 /nfs/dbraw/zinc/00/92/36/453009236.db2.gz OZMFQARMLJJURO-INIZCTEOSA-N 2 2 345.487 1.518 20 0 EDADLP COc1ccc(Br)cc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286026 453010224 /nfs/dbraw/zinc/01/02/24/453010224.db2.gz PVNOVIVLDLCUSS-UHFFFAOYSA-N 2 2 329.238 1.662 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033530 453031427 /nfs/dbraw/zinc/03/14/27/453031427.db2.gz KOSKIDXXLNFMRE-UHFFFAOYSA-N 2 2 326.444 2.543 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000658501703 453045947 /nfs/dbraw/zinc/04/59/47/453045947.db2.gz KSMFEXZGTMUQRH-KGLIPLIRSA-N 2 2 347.463 1.105 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000658501703 453045955 /nfs/dbraw/zinc/04/59/55/453045955.db2.gz KSMFEXZGTMUQRH-KGLIPLIRSA-N 2 2 347.463 1.105 20 0 EDADLP C[C@@H]1CC[C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000656313915 453055652 /nfs/dbraw/zinc/05/56/52/453055652.db2.gz INOQOVQUYLBFOB-OIISXLGYSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CC[C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000656313915 453055660 /nfs/dbraw/zinc/05/56/60/453055660.db2.gz INOQOVQUYLBFOB-OIISXLGYSA-N 2 2 338.496 1.364 20 0 EDADLP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652890323 453057291 /nfs/dbraw/zinc/05/72/91/453057291.db2.gz XWIBWJMFQZJAKK-QZTJIDSGSA-N 2 2 347.434 1.068 20 0 EDADLP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652890323 453057296 /nfs/dbraw/zinc/05/72/96/453057296.db2.gz XWIBWJMFQZJAKK-QZTJIDSGSA-N 2 2 347.434 1.068 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652890323 453057304 /nfs/dbraw/zinc/05/73/04/453057304.db2.gz XWIBWJMFQZJAKK-QZTJIDSGSA-N 2 2 347.434 1.068 20 0 EDADLP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652890323 453057310 /nfs/dbraw/zinc/05/73/10/453057310.db2.gz XWIBWJMFQZJAKK-QZTJIDSGSA-N 2 2 347.434 1.068 20 0 EDADLP O=C(c1ccccc1Oc1cc[nH+]cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652892158 453064426 /nfs/dbraw/zinc/06/44/26/453064426.db2.gz BJUTXZRPLUONBY-OAHLLOKOSA-N 2 2 339.395 1.765 20 0 EDADLP O=C(c1ccccc1Oc1cc[nH+]cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652892158 453064435 /nfs/dbraw/zinc/06/44/35/453064435.db2.gz BJUTXZRPLUONBY-OAHLLOKOSA-N 2 2 339.395 1.765 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)[C@H]1C ZINC000646101982 453101904 /nfs/dbraw/zinc/10/19/04/453101904.db2.gz AYWOYUUADANAFH-IXDOHACOSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)[C@H]1C ZINC000646101982 453101906 /nfs/dbraw/zinc/10/19/06/453101906.db2.gz AYWOYUUADANAFH-IXDOHACOSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103772 453107412 /nfs/dbraw/zinc/10/74/12/453107412.db2.gz OAQIHPSKPAFIEJ-KRWDZBQOSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103772 453107416 /nfs/dbraw/zinc/10/74/16/453107416.db2.gz OAQIHPSKPAFIEJ-KRWDZBQOSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000662419782 453129467 /nfs/dbraw/zinc/12/94/67/453129467.db2.gz NXRBZOOJKHPAFW-INIZCTEOSA-N 2 2 335.448 1.012 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000660222412 453140714 /nfs/dbraw/zinc/14/07/14/453140714.db2.gz VJVJAEVHPAZWFI-QGZVFWFLSA-N 2 2 328.460 1.932 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000660222412 453140723 /nfs/dbraw/zinc/14/07/23/453140723.db2.gz VJVJAEVHPAZWFI-QGZVFWFLSA-N 2 2 328.460 1.932 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662438825 453146522 /nfs/dbraw/zinc/14/65/22/453146522.db2.gz CDPLZHZKPZREAM-KRWDZBQOSA-N 2 2 331.460 1.469 20 0 EDADLP CC[C@H]1COC(C)(C)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000650994196 453170021 /nfs/dbraw/zinc/17/00/21/453170021.db2.gz DPODDSISTXEVIS-HNNXBMFYSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)[C@@H](C)CO1 ZINC000664535304 453174581 /nfs/dbraw/zinc/17/45/81/453174581.db2.gz FLNWODSZIZUXDV-DAYGRLMNSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)[C@@H](C)CO1 ZINC000664535304 453174582 /nfs/dbraw/zinc/17/45/82/453174582.db2.gz FLNWODSZIZUXDV-DAYGRLMNSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)[C@@H](C)CO1 ZINC000664535304 453174587 /nfs/dbraw/zinc/17/45/87/453174587.db2.gz FLNWODSZIZUXDV-DAYGRLMNSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)[C@@H](C)CO1 ZINC000664535304 453174590 /nfs/dbraw/zinc/17/45/90/453174590.db2.gz FLNWODSZIZUXDV-DAYGRLMNSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@H]1COC2(CCC2)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537253 453175419 /nfs/dbraw/zinc/17/54/19/453175419.db2.gz IMEXTKCIYVQTDE-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000653000488 453192204 /nfs/dbraw/zinc/19/22/04/453192204.db2.gz GWBGSAPAANHIIS-BBWFWOEESA-N 2 2 341.496 1.055 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000653000488 453192210 /nfs/dbraw/zinc/19/22/10/453192210.db2.gz GWBGSAPAANHIIS-BBWFWOEESA-N 2 2 341.496 1.055 20 0 EDADLP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000662484363 453199496 /nfs/dbraw/zinc/19/94/96/453199496.db2.gz IWTTYZKPEMSXRV-HNNXBMFYSA-N 2 2 349.500 1.721 20 0 EDADLP C[NH2+]C[C@H]1CCCN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000646234868 453245651 /nfs/dbraw/zinc/24/56/51/453245651.db2.gz SIVYAIDDIAAPKC-OAHLLOKOSA-N 2 2 329.448 1.826 20 0 EDADLP CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653068517 453245943 /nfs/dbraw/zinc/24/59/43/453245943.db2.gz GZOCJVBZOYMWSE-BBRMVZONSA-N 2 2 334.464 1.110 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000653074020 453252320 /nfs/dbraw/zinc/25/23/20/453252320.db2.gz WNYHFXNZKPDERM-CYBMUJFWSA-N 2 2 333.354 1.479 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000648777604 453257759 /nfs/dbraw/zinc/25/77/59/453257759.db2.gz NIRVAARPARFMCO-INIZCTEOSA-N 2 2 335.496 1.493 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000648777604 453257769 /nfs/dbraw/zinc/25/77/69/453257769.db2.gz NIRVAARPARFMCO-INIZCTEOSA-N 2 2 335.496 1.493 20 0 EDADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000653080506 453260490 /nfs/dbraw/zinc/26/04/90/453260490.db2.gz JUNCTQRNGGPDFO-CZUORRHYSA-N 2 2 332.448 1.270 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000648782534 453266257 /nfs/dbraw/zinc/26/62/57/453266257.db2.gz NIVWNHVKDLJAMH-INIZCTEOSA-N 2 2 349.523 1.786 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000648782534 453266266 /nfs/dbraw/zinc/26/62/66/453266266.db2.gz NIVWNHVKDLJAMH-INIZCTEOSA-N 2 2 349.523 1.786 20 0 EDADLP C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)C1=CC[N@H+](C)CC1 ZINC000664631713 453268266 /nfs/dbraw/zinc/26/82/66/453268266.db2.gz ZUSZSJFQZYKQSG-ZFWWWQNUSA-N 2 2 349.479 1.429 20 0 EDADLP C[C@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)C1=CC[N@@H+](C)CC1 ZINC000664631713 453268270 /nfs/dbraw/zinc/26/82/70/453268270.db2.gz ZUSZSJFQZYKQSG-ZFWWWQNUSA-N 2 2 349.479 1.429 20 0 EDADLP COCCSc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653086571 453269453 /nfs/dbraw/zinc/26/94/53/453269453.db2.gz WLELBPGYVRIFNY-CJNGLKHVSA-N 2 2 339.505 1.881 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000653092646 453274191 /nfs/dbraw/zinc/27/41/91/453274191.db2.gz HISUDVUHMGIDFD-ULQDDVLXSA-N 2 2 335.448 1.586 20 0 EDADLP CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653096898 453280339 /nfs/dbraw/zinc/28/03/39/453280339.db2.gz YMXFZWJKNKJNLI-QGZVFWFLSA-N 2 2 343.475 1.891 20 0 EDADLP CCc1ccc(-c2noc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)n2)cc1 ZINC000653104663 453286503 /nfs/dbraw/zinc/28/65/03/453286503.db2.gz OVBUEPTUGGETGL-SWLSCSKDSA-N 2 2 345.447 1.755 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000653106232 453287047 /nfs/dbraw/zinc/28/70/47/453287047.db2.gz YAMXFRFLNVEYBI-CABCVRRESA-N 3 2 326.872 1.338 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000653111656 453298385 /nfs/dbraw/zinc/29/83/85/453298385.db2.gz VUNOJHLLMITENV-MRXNPFEDSA-N 2 2 329.448 1.548 20 0 EDADLP CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653115050 453303118 /nfs/dbraw/zinc/30/31/18/453303118.db2.gz AVJNRPSQFPFRRT-WMLDXEAASA-N 2 2 343.475 1.999 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1nc(-c2ccccn2)cs1 ZINC000653118575 453307364 /nfs/dbraw/zinc/30/73/64/453307364.db2.gz QAUBBIPPEFMDTE-LBPRGKRZSA-N 2 2 333.461 1.143 20 0 EDADLP COc1cccc(N2CCC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)c1 ZINC000653119559 453308652 /nfs/dbraw/zinc/30/86/52/453308652.db2.gz OHOQWVDMJQARAC-YOEHRIQHSA-N 2 2 334.464 1.059 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660470967 453331920 /nfs/dbraw/zinc/33/19/20/453331920.db2.gz PTVKVCDXGOMLAJ-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660470967 453331925 /nfs/dbraw/zinc/33/19/25/453331925.db2.gz PTVKVCDXGOMLAJ-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccn1 ZINC000653153069 453339550 /nfs/dbraw/zinc/33/95/50/453339550.db2.gz GWPIJEZYDXJFQX-CRAIPNDOSA-N 2 2 342.443 1.575 20 0 EDADLP Cn1c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2[nH+]c1C1CC1 ZINC000653153332 453342411 /nfs/dbraw/zinc/34/24/11/453342411.db2.gz MAVQQHGFGORXBY-SGTLLEGYSA-N 2 2 326.400 1.625 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000651193460 453344522 /nfs/dbraw/zinc/34/45/22/453344522.db2.gz XKJFIYDKZORMFZ-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000651193460 453344528 /nfs/dbraw/zinc/34/45/28/453344528.db2.gz XKJFIYDKZORMFZ-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000660489798 453344874 /nfs/dbraw/zinc/34/48/74/453344874.db2.gz LYGMQUFVUGQHRD-LJQANCHMSA-N 2 2 343.475 1.933 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000660489798 453344881 /nfs/dbraw/zinc/34/48/81/453344881.db2.gz LYGMQUFVUGQHRD-LJQANCHMSA-N 2 2 343.475 1.933 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000660489798 453344889 /nfs/dbraw/zinc/34/48/89/453344889.db2.gz LYGMQUFVUGQHRD-LJQANCHMSA-N 2 2 343.475 1.933 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000660489798 453344897 /nfs/dbraw/zinc/34/48/97/453344897.db2.gz LYGMQUFVUGQHRD-LJQANCHMSA-N 2 2 343.475 1.933 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660496227 453350179 /nfs/dbraw/zinc/35/01/79/453350179.db2.gz NLRLMHHHDODOAH-SFHVURJKSA-N 2 2 344.459 1.118 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)[NH+](C)C ZINC000653165135 453357995 /nfs/dbraw/zinc/35/79/95/453357995.db2.gz FSDHMSMKKKVIQI-HOCLYGCPSA-N 2 2 329.448 1.953 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(C(C)(C)[NH3+])no2)C[C@H](C)O1 ZINC000662670678 453385074 /nfs/dbraw/zinc/38/50/74/453385074.db2.gz GQFBQVGLEHDOJN-RYUDHWBXSA-N 2 2 338.452 1.486 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C3([NH2+]C4CC4)CCC3)c[nH+]2)CCO1 ZINC000662674986 453392957 /nfs/dbraw/zinc/39/29/57/453392957.db2.gz IDOOVAXYJCCLJH-AWEZNQCLSA-N 2 2 344.459 1.598 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1([NH+]2CCCC2)CCOCC1 ZINC000651264770 453408653 /nfs/dbraw/zinc/40/86/53/453408653.db2.gz LNUFHABBONYCPE-UHFFFAOYSA-N 2 2 346.475 1.523 20 0 EDADLP Cc1ccn2cc(CNC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)[nH+]c2c1 ZINC000662687826 453408697 /nfs/dbraw/zinc/40/86/97/453408697.db2.gz FZMVBVUQNYGSML-AWEZNQCLSA-N 2 2 326.322 1.801 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]([NH3+])CC(C)C)c2)CC1 ZINC000646518014 453448284 /nfs/dbraw/zinc/44/82/84/453448284.db2.gz JEDOGWCQIOKODB-GOSISDBHSA-N 2 2 346.475 1.663 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662741017 453466943 /nfs/dbraw/zinc/46/69/43/453466943.db2.gz BXILQHHVKSYBIF-KSZLIROESA-N 2 2 330.476 1.046 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662741017 453466948 /nfs/dbraw/zinc/46/69/48/453466948.db2.gz BXILQHHVKSYBIF-KSZLIROESA-N 2 2 330.476 1.046 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)[C@@H](C[NH3+])C1 ZINC000667193203 453467227 /nfs/dbraw/zinc/46/72/27/453467227.db2.gz UBNWSKRHRNYABM-AWEZNQCLSA-N 2 2 326.404 1.250 20 0 EDADLP C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664916594 453481167 /nfs/dbraw/zinc/48/11/67/453481167.db2.gz PZHJRJBBPMZFAV-YOEHRIQHSA-N 2 2 334.464 1.691 20 0 EDADLP C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664916594 453481174 /nfs/dbraw/zinc/48/11/74/453481174.db2.gz PZHJRJBBPMZFAV-YOEHRIQHSA-N 2 2 334.464 1.691 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664928370 453491520 /nfs/dbraw/zinc/49/15/20/453491520.db2.gz ZHHKXNUTOWQITP-LSDHHAIUSA-N 2 2 347.463 1.163 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664928370 453491527 /nfs/dbraw/zinc/49/15/27/453491527.db2.gz ZHHKXNUTOWQITP-LSDHHAIUSA-N 2 2 347.463 1.163 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cncc(O)c3)CC2)CC1 ZINC000655407732 453509861 /nfs/dbraw/zinc/50/98/61/453509861.db2.gz OLKDDYAYJYSAGS-UHFFFAOYSA-N 2 2 346.475 1.348 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC[NH2+]C2CC2)CC1 ZINC000655443784 453530104 /nfs/dbraw/zinc/53/01/04/453530104.db2.gz YSYVZGKOIVAQRE-UHFFFAOYSA-N 2 2 330.432 1.155 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447685 453535048 /nfs/dbraw/zinc/53/50/48/453535048.db2.gz YUCOGEKWLHNBHL-BXUZGUMPSA-N 2 2 330.354 1.794 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000662802098 453537794 /nfs/dbraw/zinc/53/77/94/453537794.db2.gz YJAFMZVZUHQXML-INIZCTEOSA-N 2 2 332.448 1.287 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@]3(C)CC3(F)F)C2)CC1 ZINC000660712031 453541429 /nfs/dbraw/zinc/54/14/29/453541429.db2.gz IBQXRZAVZWYTJO-SWLSCSKDSA-N 2 2 330.423 1.499 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@]3(C)CC3(F)F)C2)CC1 ZINC000660712031 453541434 /nfs/dbraw/zinc/54/14/34/453541434.db2.gz IBQXRZAVZWYTJO-SWLSCSKDSA-N 2 2 330.423 1.499 20 0 EDADLP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000662868320 453579982 /nfs/dbraw/zinc/57/99/82/453579982.db2.gz CGXXYFWQHCDNSA-XIRDDKMYSA-N 2 2 342.418 1.847 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CC12CCSCC2 ZINC000665162976 453597751 /nfs/dbraw/zinc/59/77/51/453597751.db2.gz CKYXACDNJWUXEH-OAHLLOKOSA-N 2 2 342.553 1.702 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CC12CCSCC2 ZINC000665162976 453597756 /nfs/dbraw/zinc/59/77/56/453597756.db2.gz CKYXACDNJWUXEH-OAHLLOKOSA-N 2 2 342.553 1.702 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@H](C)C[C@H]3COCC[NH2+]3)CC2=O)cc1 ZINC000665240065 453619997 /nfs/dbraw/zinc/61/99/97/453619997.db2.gz CBFBFDTWILFPJI-KFWWJZLASA-N 2 2 333.432 1.157 20 0 EDADLP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259465 453628737 /nfs/dbraw/zinc/62/87/37/453628737.db2.gz GWLHQUPBSYPIJX-BFYDXBDKSA-N 3 2 339.455 1.623 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000665283948 453635392 /nfs/dbraw/zinc/63/53/92/453635392.db2.gz XPULWAHNHIYXOO-HOJAQTOUSA-N 2 2 346.519 1.159 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000660931532 453650312 /nfs/dbraw/zinc/65/03/12/453650312.db2.gz PKGIVCSWNACWRI-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000660931532 453650317 /nfs/dbraw/zinc/65/03/17/453650317.db2.gz PKGIVCSWNACWRI-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000660934253 453652801 /nfs/dbraw/zinc/65/28/01/453652801.db2.gz OEWBKWGZKQLDQA-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000660934253 453652805 /nfs/dbraw/zinc/65/28/05/453652805.db2.gz OEWBKWGZKQLDQA-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000660934253 453652808 /nfs/dbraw/zinc/65/28/08/453652808.db2.gz OEWBKWGZKQLDQA-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000660934253 453652812 /nfs/dbraw/zinc/65/28/12/453652812.db2.gz OEWBKWGZKQLDQA-CGTJXYLNSA-N 2 2 346.475 1.279 20 0 EDADLP COCC(C)(C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665368265 453670786 /nfs/dbraw/zinc/67/07/86/453670786.db2.gz RFKCVAVOQWXUSI-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP COCC(C)(C)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665368265 453670789 /nfs/dbraw/zinc/67/07/89/453670789.db2.gz RFKCVAVOQWXUSI-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000657092135 453675281 /nfs/dbraw/zinc/67/52/81/453675281.db2.gz CSVXGDWEULIOSH-UHFFFAOYSA-N 2 2 347.912 1.810 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000657092135 453675284 /nfs/dbraw/zinc/67/52/84/453675284.db2.gz CSVXGDWEULIOSH-UHFFFAOYSA-N 2 2 347.912 1.810 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)s1 ZINC000657092735 453675873 /nfs/dbraw/zinc/67/58/73/453675873.db2.gz LXPFWPOAYVXQTD-UHFFFAOYSA-N 2 2 333.523 1.527 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)s1 ZINC000657092735 453675876 /nfs/dbraw/zinc/67/58/76/453675876.db2.gz LXPFWPOAYVXQTD-UHFFFAOYSA-N 2 2 333.523 1.527 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000659281262 453698853 /nfs/dbraw/zinc/69/88/53/453698853.db2.gz YASZDHFHJYJNAX-OCCSQVGLSA-N 2 2 325.478 1.363 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000659281262 453698860 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O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000673657727 487079037 /nfs/dbraw/zinc/07/90/37/487079037.db2.gz AISRMEZDUMKTKC-GOSISDBHSA-N 2 2 338.411 1.731 20 0 EDADLP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000673657727 487079042 /nfs/dbraw/zinc/07/90/42/487079042.db2.gz AISRMEZDUMKTKC-GOSISDBHSA-N 2 2 338.411 1.731 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000673662090 487081805 /nfs/dbraw/zinc/08/18/05/487081805.db2.gz NDVVQGSOMWEUIS-CALCHBBNSA-N 2 2 347.507 1.810 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000673662090 487081808 /nfs/dbraw/zinc/08/18/08/487081808.db2.gz NDVVQGSOMWEUIS-CALCHBBNSA-N 2 2 347.507 1.810 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000673661971 487082045 /nfs/dbraw/zinc/08/20/45/487082045.db2.gz LRQYSYYXJVNTBE-HOTGVXAUSA-N 2 2 333.480 1.327 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)[nH+]c12 ZINC000673780725 487112481 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C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3scnc3C3CC3)C2)CC1 ZINC000677664099 487144732 /nfs/dbraw/zinc/14/47/32/487144732.db2.gz CMZXGRJXRNXVCP-ZDUSSCGKSA-N 2 2 334.489 1.919 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3scnc3C3CC3)C2)CC1 ZINC000677664099 487144736 /nfs/dbraw/zinc/14/47/36/487144736.db2.gz CMZXGRJXRNXVCP-ZDUSSCGKSA-N 2 2 334.489 1.919 20 0 EDADLP O=S1(=O)CC[C@H](CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000677695550 487152643 /nfs/dbraw/zinc/15/26/43/487152643.db2.gz XGVDAWIDPXPLKC-ZOBUZTSGSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000677695550 487152646 /nfs/dbraw/zinc/15/26/46/487152646.db2.gz XGVDAWIDPXPLKC-ZOBUZTSGSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000677695550 487152650 /nfs/dbraw/zinc/15/26/50/487152650.db2.gz XGVDAWIDPXPLKC-ZOBUZTSGSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000677695550 487152653 /nfs/dbraw/zinc/15/26/53/487152653.db2.gz XGVDAWIDPXPLKC-ZOBUZTSGSA-N 2 2 326.506 1.760 20 0 EDADLP [NH3+]CCc1nc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000194831361 487181091 /nfs/dbraw/zinc/18/10/91/487181091.db2.gz JNXCOWHTPQRUKC-UHFFFAOYSA-N 2 2 346.456 1.729 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCCSC3)C2)CC1 ZINC000674028999 487186920 /nfs/dbraw/zinc/18/69/20/487186920.db2.gz BBACIXJIIWOPTQ-KGLIPLIRSA-N 2 2 326.510 1.350 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCCSC3)C2)CC1 ZINC000674028999 487186922 /nfs/dbraw/zinc/18/69/22/487186922.db2.gz BBACIXJIIWOPTQ-KGLIPLIRSA-N 2 2 326.510 1.350 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc4cnccc4c3)C2)CC1 ZINC000684969396 487203000 /nfs/dbraw/zinc/20/30/00/487203000.db2.gz WETYIWQNURVCAY-INIZCTEOSA-N 2 2 339.443 1.528 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc4cnccc4c3)C2)CC1 ZINC000684969396 487203003 /nfs/dbraw/zinc/20/30/03/487203003.db2.gz WETYIWQNURVCAY-INIZCTEOSA-N 2 2 339.443 1.528 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000674192158 487214106 /nfs/dbraw/zinc/21/41/06/487214106.db2.gz SZTIZQXIFYASSK-OAHLLOKOSA-N 2 2 341.415 1.236 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000674192158 487214108 /nfs/dbraw/zinc/21/41/08/487214108.db2.gz SZTIZQXIFYASSK-OAHLLOKOSA-N 2 2 341.415 1.236 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccc4[nH]cnc4c3)CCO2)CC1 ZINC000678253921 487274982 /nfs/dbraw/zinc/27/49/82/487274982.db2.gz GHYDIUWFHKUDOY-INIZCTEOSA-N 2 2 329.448 1.011 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)CCO2)CC1 ZINC000678253921 487274985 /nfs/dbraw/zinc/27/49/85/487274985.db2.gz GHYDIUWFHKUDOY-INIZCTEOSA-N 2 2 329.448 1.011 20 0 EDADLP Cc1ccncc1[C@@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000678426753 487306994 /nfs/dbraw/zinc/30/69/94/487306994.db2.gz LEOVMKCCKIDJKS-QGZVFWFLSA-N 2 2 332.492 1.837 20 0 EDADLP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000678426753 487306996 /nfs/dbraw/zinc/30/69/96/487306996.db2.gz LEOVMKCCKIDJKS-QGZVFWFLSA-N 2 2 332.492 1.837 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000685923993 487346438 /nfs/dbraw/zinc/34/64/38/487346438.db2.gz FVJMTKDEISSELJ-UHFFFAOYSA-N 2 2 343.431 1.252 20 0 EDADLP Cc1cc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)n(C2CC[NH+](C)CC2)n1 ZINC000682509089 487378654 /nfs/dbraw/zinc/37/86/54/487378654.db2.gz CDJWYQAKMBLUGJ-AWEZNQCLSA-N 2 2 342.447 1.856 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000675198773 487389013 /nfs/dbraw/zinc/38/90/13/487389013.db2.gz YHVGVWWCIMVJQD-MRXNPFEDSA-N 2 2 331.464 1.788 20 0 EDADLP Cc1cccn2cc(CCNc3cc(-n4cccn4)nc(N)[nH+]3)[nH+]c12 ZINC000675281363 487395556 /nfs/dbraw/zinc/39/55/56/487395556.db2.gz PHSOBVSOSXNUNM-UHFFFAOYSA-N 2 2 334.387 1.855 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)c1 ZINC000668284061 485566590 /nfs/dbraw/zinc/56/65/90/485566590.db2.gz ATZXOEKOTUNOEN-CYBMUJFWSA-N 2 2 341.415 1.267 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)c1 ZINC000668284061 485566594 /nfs/dbraw/zinc/56/65/94/485566594.db2.gz ATZXOEKOTUNOEN-CYBMUJFWSA-N 2 2 341.415 1.267 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NCc1ccccc1F ZINC000670985641 485609171 /nfs/dbraw/zinc/60/91/71/485609171.db2.gz GICUQPOYCRGQPE-QGZVFWFLSA-N 2 2 349.450 1.629 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NCc1ccccc1F ZINC000670985641 485609181 /nfs/dbraw/zinc/60/91/81/485609181.db2.gz GICUQPOYCRGQPE-QGZVFWFLSA-N 2 2 349.450 1.629 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985283 485609547 /nfs/dbraw/zinc/60/95/47/485609547.db2.gz APKYSJRFKVYIRY-HZPDHXFCSA-N 2 2 325.497 1.866 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985283 485609557 /nfs/dbraw/zinc/60/95/57/485609557.db2.gz APKYSJRFKVYIRY-HZPDHXFCSA-N 2 2 325.497 1.866 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987338 485612275 /nfs/dbraw/zinc/61/22/75/485612275.db2.gz RFSVNHSKLJDPLG-KRWDZBQOSA-N 2 2 325.497 1.822 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987338 485612284 /nfs/dbraw/zinc/61/22/84/485612284.db2.gz RFSVNHSKLJDPLG-KRWDZBQOSA-N 2 2 325.497 1.822 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000668419830 485730184 /nfs/dbraw/zinc/73/01/84/485730184.db2.gz NFSPODREYHMKEB-BRWVUGGUSA-N 2 2 345.491 1.152 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000668419830 485730195 /nfs/dbraw/zinc/73/01/95/485730195.db2.gz NFSPODREYHMKEB-BRWVUGGUSA-N 2 2 345.491 1.152 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1([NH+]2CCOCC2)CCCC1 ZINC000669224637 485830839 /nfs/dbraw/zinc/83/08/39/485830839.db2.gz WZIGLAFTCCYEKQ-BZUAXINKSA-N 2 2 346.475 1.673 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000668608530 485943431 /nfs/dbraw/zinc/94/34/31/485943431.db2.gz RFJFTMJRUCPIBQ-FGTMMUONSA-N 2 2 346.475 1.314 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000668608530 485943439 /nfs/dbraw/zinc/94/34/39/485943439.db2.gz RFJFTMJRUCPIBQ-FGTMMUONSA-N 2 2 346.475 1.314 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000668610726 485944805 /nfs/dbraw/zinc/94/48/05/485944805.db2.gz BBXBXZABHHZRQR-ROUUACIJSA-N 2 2 346.475 1.329 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000668610726 485944810 /nfs/dbraw/zinc/94/48/10/485944810.db2.gz BBXBXZABHHZRQR-ROUUACIJSA-N 2 2 346.475 1.329 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ncnc4sccc43)C2)CC1 ZINC000668639541 485981554 /nfs/dbraw/zinc/98/15/54/485981554.db2.gz JLFYWYSUZZGFDI-LBPRGKRZSA-N 2 2 345.472 1.590 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ncnc4sccc43)C2)CC1 ZINC000668639541 485981562 /nfs/dbraw/zinc/98/15/62/485981562.db2.gz JLFYWYSUZZGFDI-LBPRGKRZSA-N 2 2 345.472 1.590 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000668657129 486004056 /nfs/dbraw/zinc/00/40/56/486004056.db2.gz MCKQABJNMRVZTG-MELADBBJSA-N 2 2 339.509 1.072 20 0 EDADLP O[C@H](C[NH+]1CC(C2CCOCC2)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000669665772 486024237 /nfs/dbraw/zinc/02/42/37/486024237.db2.gz WLLOKBIBAJYWJS-FQEVSTJZSA-N 2 2 330.472 1.764 20 0 EDADLP O[C@H](C[NH+]1CC(C2CCOCC2)C1)C[N@H+]1CCc2ccccc2C1 ZINC000669665772 486024241 /nfs/dbraw/zinc/02/42/41/486024241.db2.gz WLLOKBIBAJYWJS-FQEVSTJZSA-N 2 2 330.472 1.764 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-n4cncn4)c(F)c3)CC2)C1 ZINC000668741751 486114072 /nfs/dbraw/zinc/11/40/72/486114072.db2.gz ZUIYLXFQQZHFFR-INIZCTEOSA-N 2 2 345.422 1.437 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-n4cncn4)c(F)c3)CC2)C1 ZINC000668741751 486114080 /nfs/dbraw/zinc/11/40/80/486114080.db2.gz ZUIYLXFQQZHFFR-INIZCTEOSA-N 2 2 345.422 1.437 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)N[C@H]1CCC[NH2+]CC1 ZINC000668745329 486120162 /nfs/dbraw/zinc/12/01/62/486120162.db2.gz MZLYXBAVFAITNX-SFHVURJKSA-N 2 2 346.475 1.460 20 0 EDADLP C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145733 486177629 /nfs/dbraw/zinc/17/76/29/486177629.db2.gz RFRODJDYZINIRL-YJBOKZPZSA-N 2 2 327.432 1.562 20 0 EDADLP C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145733 486177635 /nfs/dbraw/zinc/17/76/35/486177635.db2.gz RFRODJDYZINIRL-YJBOKZPZSA-N 2 2 327.432 1.562 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145733 486177640 /nfs/dbraw/zinc/17/76/40/486177640.db2.gz RFRODJDYZINIRL-YJBOKZPZSA-N 2 2 327.432 1.562 20 0 EDADLP [NH3+]C1(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CCC1 ZINC000168538019 486556943 /nfs/dbraw/zinc/55/69/43/486556943.db2.gz WWYXKMAQBQXWKH-QGZVFWFLSA-N 2 2 331.460 1.318 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C[C@H](C)O1 ZINC000305717243 491244522 /nfs/dbraw/zinc/24/45/22/491244522.db2.gz HZOYJRIZMGGBFL-AVEIZBFRSA-N 2 2 336.480 1.236 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C[C@H](C)O1 ZINC000305717243 491244523 /nfs/dbraw/zinc/24/45/23/491244523.db2.gz HZOYJRIZMGGBFL-AVEIZBFRSA-N 2 2 336.480 1.236 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305118439 491009167 /nfs/dbraw/zinc/00/91/67/491009167.db2.gz LMSKNASECFWQPU-SJORKVTESA-N 2 2 334.464 1.547 20 0 EDADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC1=O ZINC000155499911 491018186 /nfs/dbraw/zinc/01/81/86/491018186.db2.gz JZTYESXAZHSOQQ-CQSZACIVSA-N 2 2 341.415 1.425 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NC/C=C/C[NH3+])[NH+]2CCOCC2)c1 ZINC000669276676 491019878 /nfs/dbraw/zinc/01/98/78/491019878.db2.gz UICNTNVMMRZLTM-RCAFFNEUSA-N 2 2 332.448 1.182 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)no1 ZINC000668490507 491180713 /nfs/dbraw/zinc/18/07/13/491180713.db2.gz XBNYXUJOWKXKGC-QGZVFWFLSA-N 2 2 331.416 1.677 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)no1 ZINC000668490507 491180716 /nfs/dbraw/zinc/18/07/16/491180716.db2.gz XBNYXUJOWKXKGC-QGZVFWFLSA-N 2 2 331.416 1.677 20 0 EDADLP C[C@@H](CNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1)[NH+](C)C ZINC000455859644 500640590 /nfs/dbraw/zinc/64/05/90/500640590.db2.gz DELOIFIUMQOWEB-VIFPVBQESA-N 2 2 344.257 1.982 20 0 EDADLP Cn1ncc(C2CCC2)c1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611978901 500764995 /nfs/dbraw/zinc/76/49/95/500764995.db2.gz QMNSYDXBDFFJGA-UHFFFAOYSA-N 2 2 333.480 1.443 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000571856925 518195335 /nfs/dbraw/zinc/19/53/35/518195335.db2.gz QYNQMTQTXMPDQL-UHFFFAOYSA-N 2 2 337.427 1.594 20 0 EDADLP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000168534021 534726254 /nfs/dbraw/zinc/72/62/54/534726254.db2.gz HOAKWUOQHVELLD-MSOLQXFVSA-N 2 2 331.460 1.046 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000130295778 534831246 /nfs/dbraw/zinc/83/12/46/534831246.db2.gz YMWGUQFHPWUOHU-UHFFFAOYSA-N 2 2 347.894 1.981 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000333510812 536455097 /nfs/dbraw/zinc/45/50/97/536455097.db2.gz FJSBHDOYVRCUIG-CVEARBPZSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000333510812 536455099 /nfs/dbraw/zinc/45/50/99/536455099.db2.gz FJSBHDOYVRCUIG-CVEARBPZSA-N 2 2 338.402 1.761 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813536 527819268 /nfs/dbraw/zinc/81/92/68/527819268.db2.gz NAZUJBDRVRKKKA-HKUYNNGSSA-N 3 2 346.519 1.679 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813536 527819274 /nfs/dbraw/zinc/81/92/74/527819274.db2.gz NAZUJBDRVRKKKA-HKUYNNGSSA-N 3 2 346.519 1.679 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813536 527819277 /nfs/dbraw/zinc/81/92/77/527819277.db2.gz NAZUJBDRVRKKKA-HKUYNNGSSA-N 3 2 346.519 1.679 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813536 527819284 /nfs/dbraw/zinc/81/92/84/527819284.db2.gz NAZUJBDRVRKKKA-HKUYNNGSSA-N 3 2 346.519 1.679 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000174691712 527831034 /nfs/dbraw/zinc/83/10/34/527831034.db2.gz LLPLIWUJALWCJK-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000174691712 527831041 /nfs/dbraw/zinc/83/10/41/527831041.db2.gz LLPLIWUJALWCJK-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000174691712 527831046 /nfs/dbraw/zinc/83/10/46/527831046.db2.gz LLPLIWUJALWCJK-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000174691712 527831054 /nfs/dbraw/zinc/83/10/54/527831054.db2.gz LLPLIWUJALWCJK-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000129891345 527881670 /nfs/dbraw/zinc/88/16/70/527881670.db2.gz KESOKGULHXMWMK-ZBFHGGJFSA-N 2 2 339.505 1.757 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000129891345 527881673 /nfs/dbraw/zinc/88/16/73/527881673.db2.gz KESOKGULHXMWMK-ZBFHGGJFSA-N 2 2 339.505 1.757 20 0 EDADLP CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000271577823 534917737 /nfs/dbraw/zinc/91/77/37/534917737.db2.gz GYAUUYGGFMNKTB-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP CC(C)(CNC(=O)C[NH2+][C@H](c1cccnc1)C1CC1)[NH+]1CCOCC1 ZINC000347347976 535103669 /nfs/dbraw/zinc/10/36/69/535103669.db2.gz ZTVSEBCUEYDXLM-SFHVURJKSA-N 2 2 346.475 1.349 20 0 EDADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000271712518 535161257 /nfs/dbraw/zinc/16/12/57/535161257.db2.gz MVUCETUCNZKILN-ZDUSSCGKSA-N 2 2 325.478 1.857 20 0 EDADLP CCC[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000249282289 535435551 /nfs/dbraw/zinc/43/55/51/535435551.db2.gz GZPMMKNQZRMIPX-QZTJIDSGSA-N 2 2 333.476 1.906 20 0 EDADLP CCC[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000249282289 535435554 /nfs/dbraw/zinc/43/55/54/535435554.db2.gz GZPMMKNQZRMIPX-QZTJIDSGSA-N 2 2 333.476 1.906 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000075715249 535490742 /nfs/dbraw/zinc/49/07/42/535490742.db2.gz LWVLXJNQBQSGFI-UHFFFAOYSA-N 2 2 332.492 1.739 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000264208716 535524868 /nfs/dbraw/zinc/52/48/68/535524868.db2.gz SNDMODHQPRMQAW-UHFFFAOYSA-N 2 2 345.447 1.698 20 0 EDADLP C[N@H+](CC(=O)NCCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352925414 536171170 /nfs/dbraw/zinc/17/11/70/536171170.db2.gz PFXRMQPTZFWOTB-SJPCQFCGSA-N 2 2 349.450 1.878 20 0 EDADLP C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352925414 536171175 /nfs/dbraw/zinc/17/11/75/536171175.db2.gz PFXRMQPTZFWOTB-SJPCQFCGSA-N 2 2 349.450 1.878 20 0 EDADLP C[NH+](CC(=O)NCCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352925414 536171177 /nfs/dbraw/zinc/17/11/77/536171177.db2.gz PFXRMQPTZFWOTB-SJPCQFCGSA-N 2 2 349.450 1.878 20 0 EDADLP C[NH+](CC(=O)NCCOc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352925414 536171180 /nfs/dbraw/zinc/17/11/80/536171180.db2.gz PFXRMQPTZFWOTB-SJPCQFCGSA-N 2 2 349.450 1.878 20 0 EDADLP C[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000067645532 536341406 /nfs/dbraw/zinc/34/14/06/536341406.db2.gz KFHLGFSNUHQXCS-UHFFFAOYSA-N 2 2 331.395 1.905 20 0 EDADLP COCC1(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC[NH2+]CC1 ZINC000262323403 536810411 /nfs/dbraw/zinc/81/04/11/536810411.db2.gz CVXSCPJBILOHSK-UHFFFAOYSA-N 2 2 344.459 1.867 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245503050 536863102 /nfs/dbraw/zinc/86/31/02/536863102.db2.gz CLOZHMKBRJKKSA-HOTGVXAUSA-N 2 2 347.463 1.070 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245503050 536863109 /nfs/dbraw/zinc/86/31/09/536863109.db2.gz CLOZHMKBRJKKSA-HOTGVXAUSA-N 2 2 347.463 1.070 20 0 EDADLP COC(=O)c1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c[nH]1 ZINC000332387242 536869411 /nfs/dbraw/zinc/86/94/11/536869411.db2.gz JRLJKCHIVZCWGX-ZDUSSCGKSA-N 2 2 348.447 1.042 20 0 EDADLP COC(=O)c1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c[nH]1 ZINC000332387242 536869415 /nfs/dbraw/zinc/86/94/15/536869415.db2.gz JRLJKCHIVZCWGX-ZDUSSCGKSA-N 2 2 348.447 1.042 20 0 EDADLP COc1ccc(CNC(=O)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352766034 536874218 /nfs/dbraw/zinc/87/42/18/536874218.db2.gz USRNBEVQSFKSMN-UHFFFAOYSA-N 2 2 348.472 1.619 20 0 EDADLP CCOCCNC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741878518 579431151 /nfs/dbraw/zinc/43/11/51/579431151.db2.gz YRNFZPZZAGSOEB-UHFFFAOYSA-N 2 2 342.553 1.437 20 0 EDADLP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000743272735 579474769 /nfs/dbraw/zinc/47/47/69/579474769.db2.gz QQKGNUWDAFELEV-PMACEKPBSA-N 2 2 347.503 1.285 20 0 EDADLP Cc1cc(C)cc([C@@H](O)C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000743272735 579474771 /nfs/dbraw/zinc/47/47/71/579474771.db2.gz QQKGNUWDAFELEV-PMACEKPBSA-N 2 2 347.503 1.285 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000761086661 580047646 /nfs/dbraw/zinc/04/76/46/580047646.db2.gz DNZJLNCPEQKBEL-AEFFLSMTSA-N 2 2 329.444 1.434 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000761086661 580047647 /nfs/dbraw/zinc/04/76/47/580047647.db2.gz DNZJLNCPEQKBEL-AEFFLSMTSA-N 2 2 329.444 1.434 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737459187 579093992 /nfs/dbraw/zinc/09/39/92/579093992.db2.gz PDBCEFWSJVZFIU-INIZCTEOSA-N 2 2 340.537 1.143 20 0 EDADLP CCCN1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@@H]1CC ZINC000761307695 580054598 /nfs/dbraw/zinc/05/45/98/580054598.db2.gz ZRGJJYOCCLEXDE-CVEARBPZSA-N 2 2 336.480 1.608 20 0 EDADLP CCCN1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)[C@@H]1CC ZINC000761307695 580054599 /nfs/dbraw/zinc/05/45/99/580054599.db2.gz ZRGJJYOCCLEXDE-CVEARBPZSA-N 2 2 336.480 1.608 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000746229980 579577660 /nfs/dbraw/zinc/57/76/60/579577660.db2.gz BFCVGPBMBNSMOH-ZIFCJYIRSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000746229980 579577661 /nfs/dbraw/zinc/57/76/61/579577661.db2.gz BFCVGPBMBNSMOH-ZIFCJYIRSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000746277934 579584107 /nfs/dbraw/zinc/58/41/07/579584107.db2.gz BQHIPAGZOWIJKN-NVXWUHKLSA-N 2 2 328.416 1.149 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000746277934 579584108 /nfs/dbraw/zinc/58/41/08/579584108.db2.gz BQHIPAGZOWIJKN-NVXWUHKLSA-N 2 2 328.416 1.149 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)C1 ZINC000778215321 580458830 /nfs/dbraw/zinc/45/88/30/580458830.db2.gz OXHACVFKLAJHQN-HNNXBMFYSA-N 2 2 326.437 1.001 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000778215321 580458831 /nfs/dbraw/zinc/45/88/31/580458831.db2.gz OXHACVFKLAJHQN-HNNXBMFYSA-N 2 2 326.437 1.001 20 0 EDADLP O=C(NCCO)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000753536061 579882416 /nfs/dbraw/zinc/88/24/16/579882416.db2.gz ODLBZYFMYLPWPV-UHFFFAOYSA-N 2 2 334.445 1.254 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1nc(C(=O)OC)ccc1=O ZINC000762077041 580066458 /nfs/dbraw/zinc/06/64/58/580066458.db2.gz ZBJNWHJLSUEUMC-UHFFFAOYSA-N 2 2 347.419 1.159 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1nc(C(=O)OC)ccc1=O ZINC000762077041 580066459 /nfs/dbraw/zinc/06/64/59/580066459.db2.gz ZBJNWHJLSUEUMC-UHFFFAOYSA-N 2 2 347.419 1.159 20 0 EDADLP Cn1cc[nH+]c1N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000764835994 580129589 /nfs/dbraw/zinc/12/95/89/580129589.db2.gz SZQLESMUZPOFHO-UHFFFAOYSA-N 2 2 345.476 1.090 20 0 EDADLP Cn1cc[nH+]c1N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000764835994 580129590 /nfs/dbraw/zinc/12/95/90/580129590.db2.gz SZQLESMUZPOFHO-UHFFFAOYSA-N 2 2 345.476 1.090 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)Cn1cc(I)cn1 ZINC000767759535 580198734 /nfs/dbraw/zinc/19/87/34/580198734.db2.gz PCRFPXGDVNSUCY-UHFFFAOYSA-N 2 2 345.188 1.664 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)Cn1cc(I)cn1 ZINC000767759535 580198735 /nfs/dbraw/zinc/19/87/35/580198735.db2.gz PCRFPXGDVNSUCY-UHFFFAOYSA-N 2 2 345.188 1.664 20 0 EDADLP C[C@H]1C[NH+]=C(N2CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)S1 ZINC000768548479 580215967 /nfs/dbraw/zinc/21/59/67/580215967.db2.gz FDBVYUZRTLYNCT-LBPRGKRZSA-N 2 2 330.461 1.577 20 0 EDADLP CN(C(=O)NCCc1ccncc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771772496 580293468 /nfs/dbraw/zinc/29/34/68/580293468.db2.gz RORLLJPVIRDWDH-GOSISDBHSA-N 2 2 345.491 1.434 20 0 EDADLP CN(C(=O)NCCc1ccncc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771772496 580293469 /nfs/dbraw/zinc/29/34/69/580293469.db2.gz RORLLJPVIRDWDH-GOSISDBHSA-N 2 2 345.491 1.434 20 0 EDADLP OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000782074888 580565604 /nfs/dbraw/zinc/56/56/04/580565604.db2.gz AWHLBCSZSIJHRK-GJZGRUSLSA-N 2 2 343.265 1.529 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(N(C)C)[nH+]1 ZINC000784978830 580633321 /nfs/dbraw/zinc/63/33/21/580633321.db2.gz CDAJFDCTFKNUMC-SWLSCSKDSA-N 2 2 347.463 1.193 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(N(C)C)[nH+]1 ZINC000784978830 580633322 /nfs/dbraw/zinc/63/33/22/580633322.db2.gz CDAJFDCTFKNUMC-SWLSCSKDSA-N 2 2 347.463 1.193 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000788246956 580715050 /nfs/dbraw/zinc/71/50/50/580715050.db2.gz UGUNNCWGHATURE-WMLDXEAASA-N 2 2 346.475 1.762 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)C1 ZINC000788246956 580715051 /nfs/dbraw/zinc/71/50/51/580715051.db2.gz UGUNNCWGHATURE-WMLDXEAASA-N 2 2 346.475 1.762 20 0 EDADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000788588972 580725244 /nfs/dbraw/zinc/72/52/44/580725244.db2.gz PAUPCDTUAGOCFG-RDBSUJKOSA-N 2 2 343.468 1.467 20 0 EDADLP CC(C)[NH+]1CCN(CCCOC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000791884939 580804449 /nfs/dbraw/zinc/80/44/49/580804449.db2.gz GFKMVFUVPMFNHH-UHFFFAOYSA-N 2 2 330.432 1.907 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)COc2cccc(F)c2)s1 ZINC000796280538 580949961 /nfs/dbraw/zinc/94/99/61/580949961.db2.gz NVSJTMVUDMBLDN-ZDUSSCGKSA-N 2 2 339.436 1.873 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCOC(C)(C)C)C2)CC1 ZINC000796384350 580952708 /nfs/dbraw/zinc/95/27/08/580952708.db2.gz VGQDXWLFQKMMGB-OAHLLOKOSA-N 2 2 325.497 1.866 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCOC(C)(C)C)C2)CC1 ZINC000796384350 580952709 /nfs/dbraw/zinc/95/27/09/580952709.db2.gz VGQDXWLFQKMMGB-OAHLLOKOSA-N 2 2 325.497 1.866 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)c1ccccc1 ZINC000893077602 590650232 /nfs/dbraw/zinc/65/02/32/590650232.db2.gz AZUXEZLTLMZROD-UYSNPLJNSA-N 2 2 333.457 1.869 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000892044479 590769133 /nfs/dbraw/zinc/76/91/33/590769133.db2.gz KUJBKLJTUOOWQX-NVXWUHKLSA-N 2 2 334.464 1.090 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000892044479 590769135 /nfs/dbraw/zinc/76/91/35/590769135.db2.gz KUJBKLJTUOOWQX-NVXWUHKLSA-N 2 2 334.464 1.090 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC/C=C\C[NH3+])C2)c1 ZINC000892122404 590810698 /nfs/dbraw/zinc/81/06/98/590810698.db2.gz OJUYQCATERCGNJ-BAHPRDJBSA-N 2 2 332.448 1.010 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC/C=C\C[NH3+])C2)c1 ZINC000892122404 590810702 /nfs/dbraw/zinc/81/07/02/590810702.db2.gz OJUYQCATERCGNJ-BAHPRDJBSA-N 2 2 332.448 1.010 20 0 EDADLP CC[C@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000890880627 590829186 /nfs/dbraw/zinc/82/91/86/590829186.db2.gz JLFFZGXOOMEZJC-JKSUJKDBSA-N 2 2 327.513 1.922 20 0 EDADLP CC[C@H](C(=O)N(C)CC(C)(C)C[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000890880627 590829188 /nfs/dbraw/zinc/82/91/88/590829188.db2.gz JLFFZGXOOMEZJC-JKSUJKDBSA-N 2 2 327.513 1.922 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000892175279 590845139 /nfs/dbraw/zinc/84/51/39/590845139.db2.gz LMXXGFOIXPBQCR-HNNXBMFYSA-N 2 2 344.415 1.272 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)Cc2ccc[nH+]c21 ZINC000892187140 590852936 /nfs/dbraw/zinc/85/29/36/590852936.db2.gz ITJZGADIIBSYPU-CWRNSKLLSA-N 2 2 329.448 1.431 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892469754 591038433 /nfs/dbraw/zinc/03/84/33/591038433.db2.gz KEOKYPKGWLYNGP-UHFFFAOYSA-N 3 2 337.512 1.020 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892469754 591038438 /nfs/dbraw/zinc/03/84/38/591038438.db2.gz KEOKYPKGWLYNGP-UHFFFAOYSA-N 3 2 337.512 1.020 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000891344636 591051272 /nfs/dbraw/zinc/05/12/72/591051272.db2.gz LBDJYTDUGMPXFG-CTYIDZIISA-N 2 2 328.420 1.584 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000892536621 591063605 /nfs/dbraw/zinc/06/36/05/591063605.db2.gz RKQLDGUFENUZKY-WMZOPIPTSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000892536621 591063609 /nfs/dbraw/zinc/06/36/09/591063609.db2.gz RKQLDGUFENUZKY-WMZOPIPTSA-N 2 2 346.475 1.199 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891420450 591072183 /nfs/dbraw/zinc/07/21/83/591072183.db2.gz BHIVNNBPBFVMEP-DOTOQJQBSA-N 2 2 325.416 1.908 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891422135 591072419 /nfs/dbraw/zinc/07/24/19/591072419.db2.gz UNHPFQJCTCUNRU-FUHWJXTLSA-N 2 2 325.416 1.956 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000892563297 591073988 /nfs/dbraw/zinc/07/39/88/591073988.db2.gz QLBZKSBYHSSQTH-CQSZACIVSA-N 2 2 328.420 1.408 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000892563297 591073991 /nfs/dbraw/zinc/07/39/91/591073991.db2.gz QLBZKSBYHSSQTH-CQSZACIVSA-N 2 2 328.420 1.408 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)CCC[NH3+])C2)c1 ZINC000892608409 591092007 /nfs/dbraw/zinc/09/20/07/591092007.db2.gz FALWGHQEFJBKQL-KRWDZBQOSA-N 2 2 334.464 1.186 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)CCC[NH3+])C2)c1 ZINC000892608409 591092010 /nfs/dbraw/zinc/09/20/10/591092010.db2.gz FALWGHQEFJBKQL-KRWDZBQOSA-N 2 2 334.464 1.186 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000892608712 591092628 /nfs/dbraw/zinc/09/26/28/591092628.db2.gz HKMPXNKTXBEENM-HKUYNNGSSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000892608712 591092633 /nfs/dbraw/zinc/09/26/33/591092633.db2.gz HKMPXNKTXBEENM-HKUYNNGSSA-N 2 2 346.475 1.247 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000891506124 591098301 /nfs/dbraw/zinc/09/83/01/591098301.db2.gz DHGLTSKRNLUZCT-SFHVURJKSA-N 2 2 340.512 1.504 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000891506124 591098308 /nfs/dbraw/zinc/09/83/08/591098308.db2.gz DHGLTSKRNLUZCT-SFHVURJKSA-N 2 2 340.512 1.504 20 0 EDADLP O=S(=O)(c1ccccc1)C1CC([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000892669828 591120516 /nfs/dbraw/zinc/12/05/16/591120516.db2.gz KONVPIWIDVHWCC-CKDBGZEDSA-N 2 2 338.473 1.038 20 0 EDADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000892670692 591121157 /nfs/dbraw/zinc/12/11/57/591121157.db2.gz XMSGSCUYHZKBQI-CYBMUJFWSA-N 2 2 346.397 1.713 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)NCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000891558593 591124985 /nfs/dbraw/zinc/12/49/85/591124985.db2.gz RCINGOHRWGZROV-SJORKVTESA-N 2 2 327.432 1.528 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)NCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000891558593 591124989 /nfs/dbraw/zinc/12/49/89/591124989.db2.gz RCINGOHRWGZROV-SJORKVTESA-N 2 2 327.432 1.528 20 0 EDADLP Cc1noc2ncc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc12 ZINC000893909800 591134327 /nfs/dbraw/zinc/13/43/27/591134327.db2.gz ULOKKSBBFUYFQO-UHFFFAOYSA-N 2 2 329.448 1.745 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000893959875 591149787 /nfs/dbraw/zinc/14/97/87/591149787.db2.gz MQSGINBHRGAJCT-GOEBONIOSA-N 2 2 341.496 1.726 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000893959877 591150063 /nfs/dbraw/zinc/15/00/63/591150063.db2.gz MQSGINBHRGAJCT-ZBFHGGJFSA-N 2 2 341.496 1.726 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4oc(=O)oc4c3)CC2)C1 ZINC000894013725 591170408 /nfs/dbraw/zinc/17/04/08/591170408.db2.gz FFCLINUFFADFOM-HNNXBMFYSA-N 2 2 331.416 1.598 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4oc(=O)oc4c3)CC2)C1 ZINC000894013725 591170411 /nfs/dbraw/zinc/17/04/11/591170411.db2.gz FFCLINUFFADFOM-HNNXBMFYSA-N 2 2 331.416 1.598 20 0 EDADLP C[NH+]1CCN(c2ccc(CNc3nc(N)[nH+]c(C4CC4)n3)cn2)CC1 ZINC000891666969 591177801 /nfs/dbraw/zinc/17/78/01/591177801.db2.gz DQFPPQOGUYYWCU-UHFFFAOYSA-N 2 2 340.435 1.090 20 0 EDADLP Cn1nc(Br)nc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000894199117 591224982 /nfs/dbraw/zinc/22/49/82/591224982.db2.gz HHKXPJQPRLCPPI-SNVBAGLBSA-N 2 2 341.257 1.979 20 0 EDADLP Cc1ccc(NC(=O)N2CCC(OCCC[NH3+])CC2)c(N(C)C)[nH+]1 ZINC000841154196 591230308 /nfs/dbraw/zinc/23/03/08/591230308.db2.gz DBHABRFJLRTXQD-UHFFFAOYSA-N 2 2 335.452 1.818 20 0 EDADLP CO[C@@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)CC(C)C ZINC000895686704 591249267 /nfs/dbraw/zinc/24/92/67/591249267.db2.gz VMWQWNRNJYGUHA-ZWKOTPCHSA-N 2 2 327.513 1.434 20 0 EDADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685463 591253245 /nfs/dbraw/zinc/25/32/45/591253245.db2.gz LZQBQECTDIWUII-HKUYNNGSSA-N 2 2 347.503 1.709 20 0 EDADLP Cc1ncccc1CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021081 591256748 /nfs/dbraw/zinc/25/67/48/591256748.db2.gz DIHXHHRLJICRDJ-KRWDZBQOSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1ncccc1CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021081 591256750 /nfs/dbraw/zinc/25/67/50/591256750.db2.gz DIHXHHRLJICRDJ-KRWDZBQOSA-N 2 2 345.491 1.400 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000895710842 591257879 /nfs/dbraw/zinc/25/78/79/591257879.db2.gz LMZYZMOWUHQHFR-SFHVURJKSA-N 2 2 342.443 1.851 20 0 EDADLP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893025424 591258787 /nfs/dbraw/zinc/25/87/87/591258787.db2.gz ZYDBDMBQVGLEJX-MRXNPFEDSA-N 3 2 339.528 1.232 20 0 EDADLP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893025424 591258788 /nfs/dbraw/zinc/25/87/88/591258788.db2.gz ZYDBDMBQVGLEJX-MRXNPFEDSA-N 3 2 339.528 1.232 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)nc2c1SCC2 ZINC000895770457 591269498 /nfs/dbraw/zinc/26/94/98/591269498.db2.gz NUDUDMPLAZSRCF-VXGBXAGGSA-N 2 2 334.493 1.357 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)nc2c1SCC2 ZINC000895770457 591269500 /nfs/dbraw/zinc/26/95/00/591269500.db2.gz NUDUDMPLAZSRCF-VXGBXAGGSA-N 2 2 334.493 1.357 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1nc2c(c(NC[C@H]3CC[N@@H+]3C)n1)SCC2 ZINC000895770457 591269504 /nfs/dbraw/zinc/26/95/04/591269504.db2.gz NUDUDMPLAZSRCF-VXGBXAGGSA-N 2 2 334.493 1.357 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1nc2c(c(NC[C@H]3CC[N@H+]3C)n1)SCC2 ZINC000895770457 591269507 /nfs/dbraw/zinc/26/95/07/591269507.db2.gz NUDUDMPLAZSRCF-VXGBXAGGSA-N 2 2 334.493 1.357 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)[nH+]c2c1SCC2 ZINC000895770457 591269508 /nfs/dbraw/zinc/26/95/08/591269508.db2.gz NUDUDMPLAZSRCF-VXGBXAGGSA-N 3 2 334.493 1.357 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)[nH+]c2c1SCC2 ZINC000895770457 591269510 /nfs/dbraw/zinc/26/95/10/591269510.db2.gz NUDUDMPLAZSRCF-VXGBXAGGSA-N 3 2 334.493 1.357 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)c2c([nH+]1)CCS2 ZINC000895770457 591269512 /nfs/dbraw/zinc/26/95/12/591269512.db2.gz NUDUDMPLAZSRCF-VXGBXAGGSA-N 3 2 334.493 1.357 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)c2c([nH+]1)CCS2 ZINC000895770457 591269514 /nfs/dbraw/zinc/26/95/14/591269514.db2.gz NUDUDMPLAZSRCF-VXGBXAGGSA-N 3 2 334.493 1.357 20 0 EDADLP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437390 591352299 /nfs/dbraw/zinc/35/22/99/591352299.db2.gz UZSLSADJSFWOHC-VWPFQQQWSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437390 591352303 /nfs/dbraw/zinc/35/23/03/591352303.db2.gz UZSLSADJSFWOHC-VWPFQQQWSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@H](CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437390 591352308 /nfs/dbraw/zinc/35/23/08/591352308.db2.gz UZSLSADJSFWOHC-VWPFQQQWSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@H](CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437390 591352312 /nfs/dbraw/zinc/35/23/12/591352312.db2.gz UZSLSADJSFWOHC-VWPFQQQWSA-N 2 2 349.479 1.404 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)C1(F)F ZINC000894639168 591375091 /nfs/dbraw/zinc/37/50/91/591375091.db2.gz ZCWGGPSFVLJRDQ-BXUZGUMPSA-N 2 2 341.358 1.267 20 0 EDADLP COC(=O)[C@H]1[C@H](C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)C1(F)F ZINC000894639171 591375176 /nfs/dbraw/zinc/37/51/76/591375176.db2.gz ZCWGGPSFVLJRDQ-SMDDNHRTSA-N 2 2 341.358 1.267 20 0 EDADLP Cc1cccn2cc(CNC(=O)C3C[NH+](C4CCOCC4)C3)[nH+]c12 ZINC000896260939 591400705 /nfs/dbraw/zinc/40/07/05/591400705.db2.gz RLYOVSQWBIQDPD-UHFFFAOYSA-N 2 2 328.416 1.370 20 0 EDADLP Cc1cc[nH+]c(N)c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000894788134 591419160 /nfs/dbraw/zinc/41/91/60/591419160.db2.gz XUWITFGRHVGEMI-UHFFFAOYSA-N 3 2 329.448 1.988 20 0 EDADLP CC(=O)c1cncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000896325629 591419624 /nfs/dbraw/zinc/41/96/24/591419624.db2.gz QRKRDGXBWOBOCA-MRXNPFEDSA-N 2 2 330.432 1.183 20 0 EDADLP CC(=O)c1cncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000896325629 591419628 /nfs/dbraw/zinc/41/96/28/591419628.db2.gz QRKRDGXBWOBOCA-MRXNPFEDSA-N 2 2 330.432 1.183 20 0 EDADLP O=C1C[C@@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)CCCN1 ZINC000898719906 591483833 /nfs/dbraw/zinc/48/38/33/591483833.db2.gz HWPXZKLQZRGHAK-VHSXEESVSA-N 2 2 327.226 1.219 20 0 EDADLP O=C1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)CCN1 ZINC000898722040 591489170 /nfs/dbraw/zinc/48/91/70/591489170.db2.gz XMVLVTNPKYUHHK-NXEZZACHSA-N 2 2 327.226 1.219 20 0 EDADLP C[NH+](C)Cc1ccc(C[NH+]2CC(C)(CO)C2)c2c1OC(F)(F)O2 ZINC000894980039 591507623 /nfs/dbraw/zinc/50/76/23/591507623.db2.gz HADUGMQECRQORG-UHFFFAOYSA-N 2 2 328.359 1.884 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCCC[NH+](C)C2)[C@H](C)CO1 ZINC000897559057 591553323 /nfs/dbraw/zinc/55/33/23/591553323.db2.gz QOVMFDQPUMFNSR-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCCC[NH+](C)C2)[C@H](C)CO1 ZINC000897559057 591553326 /nfs/dbraw/zinc/55/33/26/591553326.db2.gz QOVMFDQPUMFNSR-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)[C@H](C)CO1 ZINC000897559057 591553328 /nfs/dbraw/zinc/55/33/28/591553328.db2.gz QOVMFDQPUMFNSR-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)[C@H](C)CO1 ZINC000897559057 591553331 /nfs/dbraw/zinc/55/33/31/591553331.db2.gz QOVMFDQPUMFNSR-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000898885669 591579361 /nfs/dbraw/zinc/57/93/61/591579361.db2.gz ZBZOJHFAWAYBAH-HIFRSBDPSA-N 2 2 336.823 1.526 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c[nH+]1 ZINC000897671633 591611773 /nfs/dbraw/zinc/61/17/73/591611773.db2.gz HVGZMCSICDJYAI-INIZCTEOSA-N 2 2 334.464 1.497 20 0 EDADLP Clc1ncc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)s1 ZINC000895153105 591621271 /nfs/dbraw/zinc/62/12/71/591621271.db2.gz LSZXEAJIPQWCCD-UHFFFAOYSA-N 2 2 344.912 1.683 20 0 EDADLP Clc1ncc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)s1 ZINC000895153105 591621273 /nfs/dbraw/zinc/62/12/73/591621273.db2.gz LSZXEAJIPQWCCD-UHFFFAOYSA-N 2 2 344.912 1.683 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C[C@H]1Cc1ccccc1 ZINC000897697844 591621542 /nfs/dbraw/zinc/62/15/42/591621542.db2.gz FGXBXHDALVGDNB-RBUKOAKNSA-N 2 2 343.471 1.092 20 0 EDADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C[C@H]1Cc1ccccc1 ZINC000897697844 591621543 /nfs/dbraw/zinc/62/15/43/591621543.db2.gz FGXBXHDALVGDNB-RBUKOAKNSA-N 2 2 343.471 1.092 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1CCC2(C1)OCCO2)c1ccccc1 ZINC000899057390 591654728 /nfs/dbraw/zinc/65/47/28/591654728.db2.gz QIGQMZMVWGPGRY-KRWDZBQOSA-N 2 2 347.459 1.244 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1CCC2(C1)OCCO2)c1ccccc1 ZINC000899057390 591654731 /nfs/dbraw/zinc/65/47/31/591654731.db2.gz QIGQMZMVWGPGRY-KRWDZBQOSA-N 2 2 347.459 1.244 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccccc1 ZINC000899057390 591654732 /nfs/dbraw/zinc/65/47/32/591654732.db2.gz QIGQMZMVWGPGRY-KRWDZBQOSA-N 2 2 347.459 1.244 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccccc1 ZINC000899057390 591654735 /nfs/dbraw/zinc/65/47/35/591654735.db2.gz QIGQMZMVWGPGRY-KRWDZBQOSA-N 2 2 347.459 1.244 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)CCOCC1 ZINC000897740833 591658914 /nfs/dbraw/zinc/65/89/14/591658914.db2.gz HZCARZXHLOUTOS-ZDUSSCGKSA-N 2 2 338.452 1.324 20 0 EDADLP OC1CC2(C[C@@H]2[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000897842676 591691968 /nfs/dbraw/zinc/69/19/68/591691968.db2.gz YNIKSFXDYGSPND-AVAKVYKDSA-N 2 2 332.444 1.401 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C1(CO)CC1 ZINC000895343673 591721955 /nfs/dbraw/zinc/72/19/55/591721955.db2.gz JTMNLKFTCIWOMS-CQSZACIVSA-N 2 2 341.496 1.726 20 0 EDADLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000899252741 591745981 /nfs/dbraw/zinc/74/59/81/591745981.db2.gz IXMSQXIXCWCTSU-DWQUBVKVSA-N 2 2 331.391 1.341 20 0 EDADLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000899252741 591745982 /nfs/dbraw/zinc/74/59/82/591745982.db2.gz IXMSQXIXCWCTSU-DWQUBVKVSA-N 2 2 331.391 1.341 20 0 EDADLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000899252741 591745985 /nfs/dbraw/zinc/74/59/85/591745985.db2.gz IXMSQXIXCWCTSU-DWQUBVKVSA-N 2 2 331.391 1.341 20 0 EDADLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000899252741 591745987 /nfs/dbraw/zinc/74/59/87/591745987.db2.gz IXMSQXIXCWCTSU-DWQUBVKVSA-N 2 2 331.391 1.341 20 0 EDADLP Cn1c[nH+]cc1C[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978596 591747356 /nfs/dbraw/zinc/74/73/56/591747356.db2.gz QAAUUZIRQPYYHS-LLVKDONJSA-N 2 2 336.193 1.231 20 0 EDADLP CCc1[nH]c(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1C(=O)OC ZINC000895461545 591765678 /nfs/dbraw/zinc/76/56/78/591765678.db2.gz MSZKMOIIUIGLRP-UHFFFAOYSA-N 2 2 348.491 1.576 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCCc2nnnn2C)C[N@H+](Cc2ccccc2)C1 ZINC000898039961 591765804 /nfs/dbraw/zinc/76/58/04/591765804.db2.gz LMCSHSZSFLLXPJ-RDJZCZTQSA-N 2 2 328.464 1.643 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCCc2nnnn2C)C[N@@H+](Cc2ccccc2)C1 ZINC000898039961 591765805 /nfs/dbraw/zinc/76/58/05/591765805.db2.gz LMCSHSZSFLLXPJ-RDJZCZTQSA-N 2 2 328.464 1.643 20 0 EDADLP O=c1c(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cccn1C(F)F ZINC000897228306 591778721 /nfs/dbraw/zinc/77/87/21/591778721.db2.gz JUNBPAQTEUTULS-CQSZACIVSA-N 2 2 327.375 1.586 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000895552549 591799029 /nfs/dbraw/zinc/79/90/29/591799029.db2.gz ZOFZBXOJGRRJFT-UHFFFAOYSA-N 2 2 342.487 1.876 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(S(N)(=O)=O)c2)CCN1c1cc[nH+]cc1 ZINC000895558724 591801007 /nfs/dbraw/zinc/80/10/07/591801007.db2.gz VYKVENREXIKUIW-CQSZACIVSA-N 2 2 346.456 1.440 20 0 EDADLP c1cc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)nc(N2CCOCC2)[nH+]1 ZINC000895565822 591807497 /nfs/dbraw/zinc/80/74/97/591807497.db2.gz DEXJLIQPGLWJBM-UONOGXRCSA-N 2 2 335.477 1.305 20 0 EDADLP c1cc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc(N2CCOCC2)[nH+]1 ZINC000895565822 591807499 /nfs/dbraw/zinc/80/74/99/591807499.db2.gz DEXJLIQPGLWJBM-UONOGXRCSA-N 2 2 335.477 1.305 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH+]1CCCC1 ZINC000899963298 591841059 /nfs/dbraw/zinc/84/10/59/591841059.db2.gz DVJYMYXRGRVAAE-MRXNPFEDSA-N 2 2 328.416 1.914 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)Cc1c[nH+]c[nH]1)[NH+]1CCCC1 ZINC000899963298 591841063 /nfs/dbraw/zinc/84/10/63/591841063.db2.gz DVJYMYXRGRVAAE-MRXNPFEDSA-N 2 2 328.416 1.914 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N(C)S(C)(=O)=O)c2)C[N@H+]1C1CC1 ZINC000898286465 591852934 /nfs/dbraw/zinc/85/29/34/591852934.db2.gz HMBRCRZWFKTPHW-HIFRSBDPSA-N 2 2 337.489 1.797 20 0 EDADLP CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)C1 ZINC000898355979 591887345 /nfs/dbraw/zinc/88/73/45/591887345.db2.gz HEMHTOYVYHCLGR-ZFWWWQNUSA-N 2 2 332.404 1.182 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000900061624 591890602 /nfs/dbraw/zinc/89/06/02/591890602.db2.gz HNEZYNWBCNKUKW-WMZOPIPTSA-N 2 2 328.416 1.003 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000900061624 591890606 /nfs/dbraw/zinc/89/06/06/591890606.db2.gz HNEZYNWBCNKUKW-WMZOPIPTSA-N 2 2 328.416 1.003 20 0 EDADLP COc1cccc(CN2CCN(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)c1 ZINC000902145573 591927876 /nfs/dbraw/zinc/92/78/76/591927876.db2.gz FSPGJQYDUFWWCW-KRWDZBQOSA-N 2 2 346.475 1.774 20 0 EDADLP COc1cccc(CN2CCN(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)c1 ZINC000902145573 591927879 /nfs/dbraw/zinc/92/78/79/591927879.db2.gz FSPGJQYDUFWWCW-KRWDZBQOSA-N 2 2 346.475 1.774 20 0 EDADLP C[C@@]12C(=O)N(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000902152012 591929842 /nfs/dbraw/zinc/92/98/42/591929842.db2.gz XUBLWOUVPUJMJN-CUGJGTHOSA-N 2 2 340.427 1.675 20 0 EDADLP C[C@@]12C(=O)N(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000902152012 591929845 /nfs/dbraw/zinc/92/98/45/591929845.db2.gz XUBLWOUVPUJMJN-CUGJGTHOSA-N 2 2 340.427 1.675 20 0 EDADLP NC(=[NH+]OC[C@H]1CNC(=O)C1)c1ccccc1C[NH+]1CCCCC1 ZINC000902226466 591949159 /nfs/dbraw/zinc/94/91/59/591949159.db2.gz LBJPULIUDXWJSW-CQSZACIVSA-N 2 2 330.432 1.655 20 0 EDADLP NC(=[NH+]OCc1nncs1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000902239959 591953771 /nfs/dbraw/zinc/95/37/71/591953771.db2.gz USXZZNIQXRCUHH-UHFFFAOYSA-N 2 2 347.444 1.542 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)cn1 ZINC000900229262 591956584 /nfs/dbraw/zinc/95/65/84/591956584.db2.gz KAQIMJFTOXYYJO-VBKFSLOCSA-N 2 2 346.475 1.823 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)c[nH+]1 ZINC000900229262 591956585 /nfs/dbraw/zinc/95/65/85/591956585.db2.gz KAQIMJFTOXYYJO-VBKFSLOCSA-N 2 2 346.475 1.823 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)C1([NH3+])CC1 ZINC000902317071 591976431 /nfs/dbraw/zinc/97/64/31/591976431.db2.gz TVGOCBLLKSDVLR-GFCCVEGCSA-N 2 2 325.478 1.733 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)CO[NH+]=C(N)COC(C)(C)C)CC1 ZINC000902342885 591977115 /nfs/dbraw/zinc/97/71/15/591977115.db2.gz WWGXPBGBVUCJHN-UHFFFAOYSA-N 2 2 328.457 1.289 20 0 EDADLP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900306046 591982255 /nfs/dbraw/zinc/98/22/55/591982255.db2.gz OHNFOHUIPGJYPN-OAHLLOKOSA-N 2 2 327.432 1.677 20 0 EDADLP C[N@H+]1CC[C@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900306046 591982256 /nfs/dbraw/zinc/98/22/56/591982256.db2.gz OHNFOHUIPGJYPN-OAHLLOKOSA-N 2 2 327.432 1.677 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(OC)c1 ZINC000902468501 592000812 /nfs/dbraw/zinc/00/08/12/592000812.db2.gz UMXCJJSIHAXBKF-FAXLKDOZSA-N 2 2 333.432 1.903 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CCCN2c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000900419048 592013610 /nfs/dbraw/zinc/01/36/10/592013610.db2.gz QGXRVMHHWVVFGJ-HDMKZQKVSA-N 2 2 331.464 1.536 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900439950 592019034 /nfs/dbraw/zinc/01/90/34/592019034.db2.gz UCMBUCNIVVJOSG-QGZVFWFLSA-N 2 2 343.431 1.056 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900439950 592019038 /nfs/dbraw/zinc/01/90/38/592019038.db2.gz UCMBUCNIVVJOSG-QGZVFWFLSA-N 2 2 343.431 1.056 20 0 EDADLP C/C(=C\C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)C[NH+]1CCOCC1 ZINC000900474182 592035054 /nfs/dbraw/zinc/03/50/54/592035054.db2.gz NOSUUGBUIMIXHC-GHRIWEEISA-N 2 2 345.487 1.985 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900550108 592045996 /nfs/dbraw/zinc/04/59/96/592045996.db2.gz QKORPPCKRVOACQ-QGZVFWFLSA-N 2 2 327.432 1.771 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(CC[C@@H](O)c3ccccc3)nn2)CC1 ZINC000900570653 592055043 /nfs/dbraw/zinc/05/50/43/592055043.db2.gz NXWQBAYOFUOYIM-GOSISDBHSA-N 2 2 329.448 1.586 20 0 EDADLP CN(C(=O)OC1COC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000902909338 592083318 /nfs/dbraw/zinc/08/33/18/592083318.db2.gz SDRYKKXJOVDBSG-IRXDYDNUSA-N 2 2 339.480 1.791 20 0 EDADLP CN(C(=O)OC1COC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000902909338 592083321 /nfs/dbraw/zinc/08/33/21/592083321.db2.gz SDRYKKXJOVDBSG-IRXDYDNUSA-N 2 2 339.480 1.791 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cn(C)nn1 ZINC000902948113 592088685 /nfs/dbraw/zinc/08/86/85/592088685.db2.gz POQPMWNAJXRQDE-YOEHRIQHSA-N 2 2 329.448 1.623 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cn(C)nn1 ZINC000902948113 592088689 /nfs/dbraw/zinc/08/86/89/592088689.db2.gz POQPMWNAJXRQDE-YOEHRIQHSA-N 2 2 329.448 1.623 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC(F)(F)C(F)F)C2)CC1 ZINC000900675045 592090833 /nfs/dbraw/zinc/09/08/33/592090833.db2.gz OTJVRTSDTOLRFA-JTQLQIEISA-N 2 2 325.350 1.562 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC(F)(F)C(F)F)C2)CC1 ZINC000900675045 592090835 /nfs/dbraw/zinc/09/08/35/592090835.db2.gz OTJVRTSDTOLRFA-JTQLQIEISA-N 2 2 325.350 1.562 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903092990 592122006 /nfs/dbraw/zinc/12/20/06/592122006.db2.gz OGIOZNSVUJDNDZ-KGLIPLIRSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903092990 592122009 /nfs/dbraw/zinc/12/20/09/592122009.db2.gz OGIOZNSVUJDNDZ-KGLIPLIRSA-N 2 2 326.485 1.268 20 0 EDADLP CN1CCOC[C@]1(CO)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000903277689 592150172 /nfs/dbraw/zinc/15/01/72/592150172.db2.gz ISDSCCIETBZVFA-AZUAARDMSA-N 2 2 347.503 1.322 20 0 EDADLP CN1CCOC[C@]1(CO)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000903277689 592150174 /nfs/dbraw/zinc/15/01/74/592150174.db2.gz ISDSCCIETBZVFA-AZUAARDMSA-N 2 2 347.503 1.322 20 0 EDADLP CN(C)C(=O)N1CCC([NH2+][C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903379955 592163709 /nfs/dbraw/zinc/16/37/09/592163709.db2.gz JICOOBOHKNFMAN-QGZVFWFLSA-N 2 2 333.480 1.810 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903471145 592175716 /nfs/dbraw/zinc/17/57/16/592175716.db2.gz QCIHEPDQLDGCQK-KRWDZBQOSA-N 2 2 331.460 1.964 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000904389866 592242973 /nfs/dbraw/zinc/24/29/73/592242973.db2.gz WTSXMWSPWLRAFH-CQSZACIVSA-N 2 2 327.436 1.292 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000904389866 592242975 /nfs/dbraw/zinc/24/29/75/592242975.db2.gz WTSXMWSPWLRAFH-CQSZACIVSA-N 2 2 327.436 1.292 20 0 EDADLP Cc1cccc2ncc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)n21 ZINC000906676481 592257303 /nfs/dbraw/zinc/25/73/03/592257303.db2.gz FHAGCFXXYDSESP-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP Cc1cccc2ncc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)n21 ZINC000906676481 592257305 /nfs/dbraw/zinc/25/73/05/592257305.db2.gz FHAGCFXXYDSESP-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP C/C(=C\C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000901189443 592270457 /nfs/dbraw/zinc/27/04/57/592270457.db2.gz KILCTQMAPVETQH-ASNKMWSDSA-N 2 2 330.432 1.055 20 0 EDADLP c1c(Cc2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)[nH+]c2ccccn12 ZINC000904530933 592280541 /nfs/dbraw/zinc/28/05/41/592280541.db2.gz KJLCXVXWXRPGSI-PXAZEXFGSA-N 2 2 325.372 1.186 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000901205492 592286401 /nfs/dbraw/zinc/28/64/01/592286401.db2.gz PPCCGDKELPMSKN-CABCVRRESA-N 2 2 348.447 1.011 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000901205492 592286405 /nfs/dbraw/zinc/28/64/05/592286405.db2.gz PPCCGDKELPMSKN-CABCVRRESA-N 2 2 348.447 1.011 20 0 EDADLP O[C@H](COc1ccccc1)CN1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903739241 592299962 /nfs/dbraw/zinc/29/99/62/592299962.db2.gz FUWBQVGYINFHJR-OALUTQOASA-N 2 2 347.503 1.434 20 0 EDADLP [NH3+][C@@H](Cc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1)C(F)F ZINC000904674408 592310537 /nfs/dbraw/zinc/31/05/37/592310537.db2.gz UEGADTLLWODTAD-QWHCGFSZSA-N 2 2 338.358 1.778 20 0 EDADLP [NH3+][C@@H](Cc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)C(F)F ZINC000904674408 592310540 /nfs/dbraw/zinc/31/05/40/592310540.db2.gz UEGADTLLWODTAD-QWHCGFSZSA-N 2 2 338.358 1.778 20 0 EDADLP CC(C)(C[NH3+])C1CC[NH+](Cc2nnnn2CC2CCOCC2)CC1 ZINC000903790909 592315694 /nfs/dbraw/zinc/31/56/94/592315694.db2.gz GTQJMHAXZAZMRI-UHFFFAOYSA-N 2 2 336.484 1.297 20 0 EDADLP COc1ccc([C@@H]2C[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903778196 592319515 /nfs/dbraw/zinc/31/95/15/592319515.db2.gz KIZNWCYYRVZDNH-QYZOEREBSA-N 2 2 332.444 1.837 20 0 EDADLP COc1ccc([C@@H]2C[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CCO2)cc1 ZINC000903778196 592319520 /nfs/dbraw/zinc/31/95/20/592319520.db2.gz KIZNWCYYRVZDNH-QYZOEREBSA-N 2 2 332.444 1.837 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(C[C@H]3CCC[C@H](C(F)(F)F)O3)C[C@H]2[NH3+])c1 ZINC000903780521 592320485 /nfs/dbraw/zinc/32/04/85/592320485.db2.gz HZPJODCSTKYOLL-HKUMRIAESA-N 2 2 332.370 1.647 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000903824994 592334264 /nfs/dbraw/zinc/33/42/64/592334264.db2.gz WTFHFMSKNLFHOK-YRXWBPOGSA-N 2 2 334.460 1.045 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000903824994 592334270 /nfs/dbraw/zinc/33/42/70/592334270.db2.gz WTFHFMSKNLFHOK-YRXWBPOGSA-N 2 2 334.460 1.045 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(S(=O)(=O)N3CCCC3)o1)C2 ZINC000903844991 592343495 /nfs/dbraw/zinc/34/34/95/592343495.db2.gz DPZBRHIJTVAVFO-IHRRRGAJSA-N 2 2 339.461 1.376 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(S(=O)(=O)N3CCCC3)o1)C2 ZINC000903844991 592343500 /nfs/dbraw/zinc/34/35/00/592343500.db2.gz DPZBRHIJTVAVFO-IHRRRGAJSA-N 2 2 339.461 1.376 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CCN2CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000903856433 592347835 /nfs/dbraw/zinc/34/78/35/592347835.db2.gz QXITVMOJBGAZGP-FUHWJXTLSA-N 2 2 348.516 1.206 20 0 EDADLP CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903890852 592352264 /nfs/dbraw/zinc/35/22/64/592352264.db2.gz GUHBOTFVUZYGRJ-GJZGRUSLSA-N 2 2 348.495 1.329 20 0 EDADLP CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903890852 592352268 /nfs/dbraw/zinc/35/22/68/592352268.db2.gz GUHBOTFVUZYGRJ-GJZGRUSLSA-N 2 2 348.495 1.329 20 0 EDADLP CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000906823685 592373413 /nfs/dbraw/zinc/37/34/13/592373413.db2.gz OZQQQLCRNYEFIZ-BRWVUGGUSA-N 2 2 337.508 1.724 20 0 EDADLP [NH3+][C@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)CC(F)F ZINC000903925544 592379476 /nfs/dbraw/zinc/37/94/76/592379476.db2.gz GPXZSNRUDPCYBD-GJZGRUSLSA-N 2 2 341.402 1.029 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905050656 592381016 /nfs/dbraw/zinc/38/10/16/592381016.db2.gz VYEMLOITUIZGOG-MAUKXSAKSA-N 2 2 333.432 1.227 20 0 EDADLP [NH3+][C@H](CC(F)F)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000903932347 592383393 /nfs/dbraw/zinc/38/33/93/592383393.db2.gz BJKLBKPNFJJQFW-OAGGEKHMSA-N 2 2 325.403 1.554 20 0 EDADLP [NH3+][C@H](CC(F)F)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000903932347 592383398 /nfs/dbraw/zinc/38/33/98/592383398.db2.gz BJKLBKPNFJJQFW-OAGGEKHMSA-N 2 2 325.403 1.554 20 0 EDADLP C/C(=C\C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000908206149 592384337 /nfs/dbraw/zinc/38/43/37/592384337.db2.gz DGHYXPGULDXIGC-NKAIQICCSA-N 2 2 349.450 1.823 20 0 EDADLP Nc1ccc2c(c1)OCC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903937290 592387660 /nfs/dbraw/zinc/38/76/60/592387660.db2.gz HESUTIGGWAWGNL-HNNXBMFYSA-N 2 2 328.420 1.179 20 0 EDADLP Nc1ccc2c(c1)OCC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903937290 592387662 /nfs/dbraw/zinc/38/76/62/592387662.db2.gz HESUTIGGWAWGNL-HNNXBMFYSA-N 2 2 328.420 1.179 20 0 EDADLP Fc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)ccc1-n1cncn1 ZINC000903974091 592397227 /nfs/dbraw/zinc/39/72/27/592397227.db2.gz LHNZICVGPKZVSV-OAHLLOKOSA-N 2 2 345.422 1.655 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905102225 592405845 /nfs/dbraw/zinc/40/58/45/592405845.db2.gz CPZJFERTWHFQFL-IUODEOHRSA-N 2 2 332.275 1.862 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905102225 592405849 /nfs/dbraw/zinc/40/58/49/592405849.db2.gz CPZJFERTWHFQFL-IUODEOHRSA-N 2 2 332.275 1.862 20 0 EDADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906971855 592444459 /nfs/dbraw/zinc/44/44/59/592444459.db2.gz UUGMUAJWPLRVNY-DLBZAZTESA-N 2 2 348.491 1.279 20 0 EDADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906971855 592444463 /nfs/dbraw/zinc/44/44/63/592444463.db2.gz UUGMUAJWPLRVNY-DLBZAZTESA-N 2 2 348.491 1.279 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)COc1ccc2cc[nH]c2c1 ZINC000905216267 592470382 /nfs/dbraw/zinc/47/03/82/592470382.db2.gz CYIICCRMFGKRGA-CABCVRRESA-N 2 2 326.400 1.709 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904301383 592471192 /nfs/dbraw/zinc/47/11/92/592471192.db2.gz FPFUOKHTCFVUOW-HYVNUMGLSA-N 2 2 330.432 1.533 20 0 EDADLP C[C@@]1(C[NH2+]C[C@H](O)C2(O)CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000905220588 592472652 /nfs/dbraw/zinc/47/26/52/592472652.db2.gz ZCOJBIZXHWHTJX-OALUTQOASA-N 2 2 348.487 1.533 20 0 EDADLP C[C@@]1(C[NH2+]C[C@H](O)C2(O)CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000905220588 592472654 /nfs/dbraw/zinc/47/26/54/592472654.db2.gz ZCOJBIZXHWHTJX-OALUTQOASA-N 2 2 348.487 1.533 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000908376961 592473304 /nfs/dbraw/zinc/47/33/04/592473304.db2.gz AVCKHUFIIXMJEB-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000905447710 592528204 /nfs/dbraw/zinc/52/82/04/592528204.db2.gz TVIGQPBUSUJSMU-MOPGFXCFSA-N 2 2 333.476 1.106 20 0 EDADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 ZINC000905518019 592559343 /nfs/dbraw/zinc/55/93/43/592559343.db2.gz IKWGCWBBPYEAEL-OAHLLOKOSA-N 2 2 338.452 1.465 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2COC(C)(C)C)C1 ZINC000905725608 592630061 /nfs/dbraw/zinc/63/00/61/592630061.db2.gz YFOGZVQVYHGHJF-LSDHHAIUSA-N 2 2 334.464 1.973 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2COC(C)(C)C)C1 ZINC000905725608 592630063 /nfs/dbraw/zinc/63/00/63/592630063.db2.gz YFOGZVQVYHGHJF-LSDHHAIUSA-N 2 2 334.464 1.973 20 0 EDADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 ZINC000905848964 592664351 /nfs/dbraw/zinc/66/43/51/592664351.db2.gz AQZGOYHIGGXFEV-INIZCTEOSA-N 2 2 332.835 1.987 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)CCC3(O)CCC3)CC2)c1 ZINC000905932826 592688164 /nfs/dbraw/zinc/68/81/64/592688164.db2.gz OXTFXZCNXPMLFB-HNNXBMFYSA-N 2 2 335.448 1.268 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000907766023 592783592 /nfs/dbraw/zinc/78/35/92/592783592.db2.gz WWZFBLATSWUUBK-APWZRJJASA-N 2 2 346.475 1.799 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000907766023 592783595 /nfs/dbraw/zinc/78/35/95/592783595.db2.gz WWZFBLATSWUUBK-APWZRJJASA-N 2 2 346.475 1.799 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734274493 592959034 /nfs/dbraw/zinc/95/90/34/592959034.db2.gz XGBPUMXIALLVKF-OAHLLOKOSA-N 2 2 325.416 1.908 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734274493 592959035 /nfs/dbraw/zinc/95/90/35/592959035.db2.gz XGBPUMXIALLVKF-OAHLLOKOSA-N 2 2 325.416 1.908 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000736231281 592995379 /nfs/dbraw/zinc/99/53/79/592995379.db2.gz WSNUGLFUOBKAED-ZFWWWQNUSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000736231281 592995381 /nfs/dbraw/zinc/99/53/81/592995381.db2.gz WSNUGLFUOBKAED-ZFWWWQNUSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736231281 592995384 /nfs/dbraw/zinc/99/53/84/592995384.db2.gz WSNUGLFUOBKAED-ZFWWWQNUSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736231281 592995386 /nfs/dbraw/zinc/99/53/86/592995386.db2.gz WSNUGLFUOBKAED-ZFWWWQNUSA-N 2 2 330.436 1.660 20 0 EDADLP C[NH+]1CCC(N(CCO)C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000911945357 593037395 /nfs/dbraw/zinc/03/73/95/593037395.db2.gz HBGPALFFYSFZOZ-UHFFFAOYSA-N 2 2 328.416 1.605 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC000912531859 593103590 /nfs/dbraw/zinc/10/35/90/593103590.db2.gz BMZXQRCPAKPQON-HIFRSBDPSA-N 2 2 329.404 1.365 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC000912531859 593103591 /nfs/dbraw/zinc/10/35/91/593103591.db2.gz BMZXQRCPAKPQON-HIFRSBDPSA-N 2 2 329.404 1.365 20 0 EDADLP CCOC(=O)CC(C)(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000838856483 593225771 /nfs/dbraw/zinc/22/57/71/593225771.db2.gz QPCLWHRWSGGWBI-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)CC(C)(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000838856483 593225774 /nfs/dbraw/zinc/22/57/74/593225774.db2.gz QPCLWHRWSGGWBI-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP Cn1cc([C@H]2N(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C(=O)C2(C)C)cn1 ZINC000808161079 593231659 /nfs/dbraw/zinc/23/16/59/593231659.db2.gz QFXKPFBDBHCDLY-HZPDHXFCSA-N 2 2 342.447 1.821 20 0 EDADLP Cn1cc([C@H]2N(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C(=O)C2(C)C)cn1 ZINC000808161079 593231661 /nfs/dbraw/zinc/23/16/61/593231661.db2.gz QFXKPFBDBHCDLY-HZPDHXFCSA-N 2 2 342.447 1.821 20 0 EDADLP CO[C@@H]1C[C@H]([N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000840138802 593258955 /nfs/dbraw/zinc/25/89/55/593258955.db2.gz GFINDJZDHZTEKE-VNQPRFMTSA-N 2 2 332.448 1.583 20 0 EDADLP CO[C@@H]1C[C@H]([N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000840138802 593258956 /nfs/dbraw/zinc/25/89/56/593258956.db2.gz GFINDJZDHZTEKE-VNQPRFMTSA-N 2 2 332.448 1.583 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000867012007 593300216 /nfs/dbraw/zinc/30/02/16/593300216.db2.gz HZLPZNJTVCBODP-UHFFFAOYSA-N 2 2 348.422 1.321 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000867012007 593300218 /nfs/dbraw/zinc/30/02/18/593300218.db2.gz HZLPZNJTVCBODP-UHFFFAOYSA-N 2 2 348.422 1.321 20 0 EDADLP O=C1c2ncccc2CN1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000840001805 593330550 /nfs/dbraw/zinc/33/05/50/593330550.db2.gz CRUAKMRAKMLPEJ-UHFFFAOYSA-N 2 2 344.459 1.429 20 0 EDADLP C[C@@]12C(=O)N(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C(=O)[C@H]1[C@@H]1CC[C@H]2C1 ZINC000840002121 593331077 /nfs/dbraw/zinc/33/10/77/593331077.db2.gz FQIZUFANCQWIGE-INJPQVFBSA-N 2 2 342.443 1.899 20 0 EDADLP C[C@@]12C(=O)N(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C(=O)[C@H]1[C@@H]1CC[C@H]2C1 ZINC000840002121 593331079 /nfs/dbraw/zinc/33/10/79/593331079.db2.gz FQIZUFANCQWIGE-INJPQVFBSA-N 2 2 342.443 1.899 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C(=O)[C@]12CCCO2 ZINC000840007197 593342532 /nfs/dbraw/zinc/34/25/32/593342532.db2.gz MHZFQHALENRGEZ-LNLFQRSKSA-N 2 2 335.492 1.778 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C(=O)[C@]12CCCO2 ZINC000840007197 593342534 /nfs/dbraw/zinc/34/25/34/593342534.db2.gz MHZFQHALENRGEZ-LNLFQRSKSA-N 2 2 335.492 1.778 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000840030022 593394286 /nfs/dbraw/zinc/39/42/86/593394286.db2.gz AGXBZXZKOMQJCV-FUHWJXTLSA-N 2 2 334.464 1.887 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000840030022 593394287 /nfs/dbraw/zinc/39/42/87/593394287.db2.gz AGXBZXZKOMQJCV-FUHWJXTLSA-N 2 2 334.464 1.887 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)[C@@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000840035750 593401457 /nfs/dbraw/zinc/40/14/57/593401457.db2.gz JDYMEBINXCQTHG-IIDMSEBBSA-N 2 2 330.432 1.337 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)[C@@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000840035750 593401458 /nfs/dbraw/zinc/40/14/58/593401458.db2.gz JDYMEBINXCQTHG-IIDMSEBBSA-N 2 2 330.432 1.337 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3C[C@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000840037814 593402661 /nfs/dbraw/zinc/40/26/61/593402661.db2.gz KZLKXUIBUMSXNK-IEBWSBKVSA-N 2 2 348.535 1.693 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000812836424 593510307 /nfs/dbraw/zinc/51/03/07/593510307.db2.gz CXSMVDNQXXKVAM-IEBWSBKVSA-N 2 2 332.492 1.604 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000812836424 593510308 /nfs/dbraw/zinc/51/03/08/593510308.db2.gz CXSMVDNQXXKVAM-IEBWSBKVSA-N 2 2 332.492 1.604 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817982947 593653449 /nfs/dbraw/zinc/65/34/49/593653449.db2.gz WROIGMQFWITUSW-WCQYABFASA-N 2 2 348.415 1.712 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@H](O)c2ccccc2F)C1=O ZINC000819221041 593745143 /nfs/dbraw/zinc/74/51/43/593745143.db2.gz AONRJQJDEKKMEB-CVEARBPZSA-N 2 2 346.406 1.373 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1=O ZINC000819223268 593745308 /nfs/dbraw/zinc/74/53/08/593745308.db2.gz YMDAEIOYWYEGGC-HOTGVXAUSA-N 2 2 346.406 1.373 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000819265871 593747664 /nfs/dbraw/zinc/74/76/64/593747664.db2.gz SVEWBVASYCENQL-CVEARBPZSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000819265871 593747665 /nfs/dbraw/zinc/74/76/65/593747665.db2.gz SVEWBVASYCENQL-CVEARBPZSA-N 2 2 341.496 1.869 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000819306368 593749663 /nfs/dbraw/zinc/74/96/63/593749663.db2.gz SJBFAEXBFJBHLS-RGPMPMONSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000819306368 593749664 /nfs/dbraw/zinc/74/96/64/593749664.db2.gz SJBFAEXBFJBHLS-RGPMPMONSA-N 2 2 345.487 1.702 20 0 EDADLP COC(=O)CC[C@H]([NH3+])c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000822808089 594103872 /nfs/dbraw/zinc/10/38/72/594103872.db2.gz PDJNQMDBLMDCFT-ZDUSSCGKSA-N 2 2 327.344 1.875 20 0 EDADLP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825018941 594117172 /nfs/dbraw/zinc/11/71/72/594117172.db2.gz BKOXJAWLYSXSSV-GUYCJALGSA-N 2 2 342.447 1.598 20 0 EDADLP C[NH+](C)CC1(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC000825391855 594177674 /nfs/dbraw/zinc/17/76/74/594177674.db2.gz HIRPXAYOOUQVMK-UHFFFAOYSA-N 2 2 339.480 1.251 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000827625582 594247115 /nfs/dbraw/zinc/24/71/15/594247115.db2.gz PDPMNFAIXFSHSJ-ROUUACIJSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000827625582 594247118 /nfs/dbraw/zinc/24/71/18/594247118.db2.gz PDPMNFAIXFSHSJ-ROUUACIJSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000827625582 594247121 /nfs/dbraw/zinc/24/71/21/594247121.db2.gz PDPMNFAIXFSHSJ-ROUUACIJSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000827625582 594247124 /nfs/dbraw/zinc/24/71/24/594247124.db2.gz PDPMNFAIXFSHSJ-ROUUACIJSA-N 2 2 346.475 1.271 20 0 EDADLP CCCN(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000826052554 594318775 /nfs/dbraw/zinc/31/87/75/594318775.db2.gz OEKUVPIJQMZRGZ-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP CCCN(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000826052554 594318779 /nfs/dbraw/zinc/31/87/79/594318779.db2.gz OEKUVPIJQMZRGZ-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000826373403 594450155 /nfs/dbraw/zinc/45/01/55/594450155.db2.gz KXJPPBSRQQUYBY-UHFFFAOYSA-N 2 2 330.411 1.970 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000831044461 594543986 /nfs/dbraw/zinc/54/39/86/594543986.db2.gz KBYXWSCHZFUMJC-IBGZPJMESA-N 2 2 345.491 1.773 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000831044461 594543988 /nfs/dbraw/zinc/54/39/88/594543988.db2.gz KBYXWSCHZFUMJC-IBGZPJMESA-N 2 2 345.491 1.773 20 0 EDADLP C[C@H](C(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000829064158 594560981 /nfs/dbraw/zinc/56/09/81/594560981.db2.gz LGLDZDVPDPOCNC-WBVHZDCISA-N 2 2 343.475 1.029 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000829470121 594620993 /nfs/dbraw/zinc/62/09/93/594620993.db2.gz KPTNUUYHIUFMEP-CQSZACIVSA-N 2 2 336.399 1.602 20 0 EDADLP CCO[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C[NH+](C)C ZINC000831709264 594694877 /nfs/dbraw/zinc/69/48/77/594694877.db2.gz XYKWZOFDBLARQO-CQSZACIVSA-N 2 2 332.404 1.274 20 0 EDADLP CCO[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C[NH+](C)C ZINC000831724299 594696465 /nfs/dbraw/zinc/69/64/65/594696465.db2.gz NIQJQUDJPYGUJA-GOSISDBHSA-N 2 2 344.459 1.557 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)Nc2cccc3cccnc32)n1C ZINC000840890428 594823672 /nfs/dbraw/zinc/82/36/72/594823672.db2.gz SFDYKHKCWUQYBS-UHFFFAOYSA-N 2 2 338.415 1.763 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)C[C@@H]21 ZINC000836213499 594939275 /nfs/dbraw/zinc/93/92/75/594939275.db2.gz GVCXBILICIFRLB-CABCVRRESA-N 2 2 326.404 1.113 20 0 EDADLP CCC(CC)[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c21)[NH+]1CCOCC1 ZINC000836211861 594939343 /nfs/dbraw/zinc/93/93/43/594939343.db2.gz MOJXPFYTVVXIRO-CVEARBPZSA-N 2 2 349.479 1.764 20 0 EDADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NOCC[NH+](C)C)c2C1 ZINC000833859133 594950845 /nfs/dbraw/zinc/95/08/45/594950845.db2.gz AONFRFVBYCZMCG-UHFFFAOYSA-N 2 2 342.443 1.836 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000836363456 594955803 /nfs/dbraw/zinc/95/58/03/594955803.db2.gz XVBPKOUKYDQPCL-RBSFLKMASA-N 2 2 333.436 1.271 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000841837688 594961183 /nfs/dbraw/zinc/96/11/83/594961183.db2.gz FJRHXYJDGBGHEN-UHFFFAOYSA-N 2 2 345.491 1.902 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000841837688 594961184 /nfs/dbraw/zinc/96/11/84/594961184.db2.gz FJRHXYJDGBGHEN-UHFFFAOYSA-N 2 2 345.491 1.902 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000836524810 594972196 /nfs/dbraw/zinc/97/21/96/594972196.db2.gz SRGOIQPKIYGSBC-CYBMUJFWSA-N 2 2 342.403 1.263 20 0 EDADLP [NH3+]CCc1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000841924990 594983022 /nfs/dbraw/zinc/98/30/22/594983022.db2.gz LIHXSADRXYEPHK-UHFFFAOYSA-N 2 2 342.443 1.808 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000843349033 595083267 /nfs/dbraw/zinc/08/32/67/595083267.db2.gz DLAADHBKSIZSDE-HZPDHXFCSA-N 2 2 346.475 1.392 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000843349033 595083272 /nfs/dbraw/zinc/08/32/72/595083272.db2.gz DLAADHBKSIZSDE-HZPDHXFCSA-N 2 2 346.475 1.392 20 0 EDADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843354156 595084662 /nfs/dbraw/zinc/08/46/62/595084662.db2.gz VOQQGZJPRPTFHH-IUODEOHRSA-N 2 2 342.509 1.104 20 0 EDADLP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843354156 595084665 /nfs/dbraw/zinc/08/46/65/595084665.db2.gz VOQQGZJPRPTFHH-IUODEOHRSA-N 2 2 342.509 1.104 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000105197172 595114068 /nfs/dbraw/zinc/11/40/68/595114068.db2.gz XEXFRYMCZDWPLT-UHFFFAOYSA-N 2 2 325.416 1.862 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842474602 595114613 /nfs/dbraw/zinc/11/46/13/595114613.db2.gz VTVSZFDMQFTSTR-MLGOLLRUSA-N 2 2 343.431 1.671 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842474602 595114615 /nfs/dbraw/zinc/11/46/15/595114615.db2.gz VTVSZFDMQFTSTR-MLGOLLRUSA-N 2 2 343.431 1.671 20 0 EDADLP CC(C)C[C@@H]1NC(=O)N(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000121544304 595145885 /nfs/dbraw/zinc/14/58/85/595145885.db2.gz VHDPCDBAGOUJHL-KKUMJFAQSA-N 2 2 333.436 1.690 20 0 EDADLP CC(C)C[C@@H]1NC(=O)N(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000121544304 595145889 /nfs/dbraw/zinc/14/58/89/595145889.db2.gz VHDPCDBAGOUJHL-KKUMJFAQSA-N 2 2 333.436 1.690 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000843062287 595277038 /nfs/dbraw/zinc/27/70/38/595277038.db2.gz NJMIJXFEFIJPRC-MJGOQNOKSA-N 2 2 345.418 1.263 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)C[N@H+]1CCc2ccccc2C1 ZINC000843062287 595277039 /nfs/dbraw/zinc/27/70/39/595277039.db2.gz NJMIJXFEFIJPRC-MJGOQNOKSA-N 2 2 345.418 1.263 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000844166555 595288925 /nfs/dbraw/zinc/28/89/25/595288925.db2.gz DUHOBPNNXSCULE-DOTOQJQBSA-N 2 2 346.406 1.533 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000846669985 595297255 /nfs/dbraw/zinc/29/72/55/595297255.db2.gz LMXRCQJSPSQZJZ-SJORKVTESA-N 2 2 337.439 1.377 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000846673106 595298044 /nfs/dbraw/zinc/29/80/44/595298044.db2.gz NTJXXGRLRXRUTH-CPUCHLNUSA-N 2 2 334.464 1.518 20 0 EDADLP Cc1cc(C)c(N2CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2=O)c(C)c1 ZINC000846677341 595299295 /nfs/dbraw/zinc/29/92/95/595299295.db2.gz OJXSBQQIJHAYKI-HOTGVXAUSA-N 2 2 346.475 1.112 20 0 EDADLP Cc1cc(C)c(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2=O)c(C)c1 ZINC000846677345 595299597 /nfs/dbraw/zinc/29/95/97/595299597.db2.gz OJXSBQQIJHAYKI-JKSUJKDBSA-N 2 2 346.475 1.112 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000844196405 595300081 /nfs/dbraw/zinc/30/00/81/595300081.db2.gz HGHHPXBLSARGFH-HXUWFJFHSA-N 2 2 343.471 1.735 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844224519 595308646 /nfs/dbraw/zinc/30/86/46/595308646.db2.gz MIUHBEBLJZFPAC-IAGOWNOFSA-N 2 2 332.448 1.321 20 0 EDADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846825465 595322107 /nfs/dbraw/zinc/32/21/07/595322107.db2.gz VOSCGJPQXUQRIU-YJBOKZPZSA-N 2 2 341.496 1.821 20 0 EDADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846825465 595322109 /nfs/dbraw/zinc/32/21/09/595322109.db2.gz VOSCGJPQXUQRIU-YJBOKZPZSA-N 2 2 341.496 1.821 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000844334004 595327452 /nfs/dbraw/zinc/32/74/52/595327452.db2.gz DBUMLMYCHPISSS-UHFFFAOYSA-N 2 2 332.444 1.784 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000846867618 595329347 /nfs/dbraw/zinc/32/93/47/595329347.db2.gz JOZRJIPGKQFXAU-CQSZACIVSA-N 2 2 329.485 1.678 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000846867618 595329348 /nfs/dbraw/zinc/32/93/48/595329348.db2.gz JOZRJIPGKQFXAU-CQSZACIVSA-N 2 2 329.485 1.678 20 0 EDADLP CC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000846943750 595340847 /nfs/dbraw/zinc/34/08/47/595340847.db2.gz MOVHUDBPLNWJNW-OAHLLOKOSA-N 2 2 344.459 1.420 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000847525587 595440624 /nfs/dbraw/zinc/44/06/24/595440624.db2.gz NIZDXKUTFNQPCC-INIZCTEOSA-N 3 2 336.524 1.345 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000847525587 595440625 /nfs/dbraw/zinc/44/06/25/595440625.db2.gz NIZDXKUTFNQPCC-INIZCTEOSA-N 3 2 336.524 1.345 20 0 EDADLP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000849018484 595475040 /nfs/dbraw/zinc/47/50/40/595475040.db2.gz ACWFSHVVJUQJKP-IAGOWNOFSA-N 2 2 332.448 1.180 20 0 EDADLP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000849018484 595475041 /nfs/dbraw/zinc/47/50/41/595475041.db2.gz ACWFSHVVJUQJKP-IAGOWNOFSA-N 2 2 332.448 1.180 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000847956029 595504218 /nfs/dbraw/zinc/50/42/18/595504218.db2.gz FBTXIWWIJLYEGE-AWEZNQCLSA-N 2 2 330.436 1.198 20 0 EDADLP C[C@@H](CC(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1)n1cc[nH+]c1 ZINC000845544912 595516421 /nfs/dbraw/zinc/51/64/21/595516421.db2.gz SIDUUGJCYXJNKA-STQMWFEESA-N 2 2 330.392 1.419 20 0 EDADLP O=C(C=C1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000852856339 595578313 /nfs/dbraw/zinc/57/83/13/595578313.db2.gz ZPGJTAONHXINJQ-UHFFFAOYSA-N 2 2 329.444 1.445 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000857841576 595630014 /nfs/dbraw/zinc/63/00/14/595630014.db2.gz MJPRNFRLHVRXRF-QFBILLFUSA-N 2 2 342.443 1.197 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000857841576 595630015 /nfs/dbraw/zinc/63/00/15/595630015.db2.gz MJPRNFRLHVRXRF-QFBILLFUSA-N 2 2 342.443 1.197 20 0 EDADLP C[C@@H]1CCc2nc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cn2C1 ZINC000857926584 595655299 /nfs/dbraw/zinc/65/52/99/595655299.db2.gz HUIVQLYXGANARV-OAHLLOKOSA-N 2 2 347.507 1.563 20 0 EDADLP C[C@@H]1CCc2nc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cn2C1 ZINC000857926584 595655300 /nfs/dbraw/zinc/65/53/00/595655300.db2.gz HUIVQLYXGANARV-OAHLLOKOSA-N 2 2 347.507 1.563 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nc[nH+]2)CC1 ZINC000853241579 595716930 /nfs/dbraw/zinc/71/69/30/595716930.db2.gz LUZHSPJHMLHDJK-HUUCEWRRSA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)nc[nH+]2)CC1 ZINC000853241579 595716934 /nfs/dbraw/zinc/71/69/34/595716934.db2.gz LUZHSPJHMLHDJK-HUUCEWRRSA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)[nH+]cn2)CC1 ZINC000853241579 595716938 /nfs/dbraw/zinc/71/69/38/595716938.db2.gz LUZHSPJHMLHDJK-HUUCEWRRSA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)[nH+]cn2)CC1 ZINC000853241579 595716943 /nfs/dbraw/zinc/71/69/43/595716943.db2.gz LUZHSPJHMLHDJK-HUUCEWRRSA-N 2 2 347.463 1.103 20 0 EDADLP CCOC(=O)C1=C(C[NH+]2CCC(n3cc[nH+]c3)CC2)NC(=O)N[C@@H]1C ZINC000109794415 595737789 /nfs/dbraw/zinc/73/77/89/595737789.db2.gz NMKRJXZUDXOCMW-GFCCVEGCSA-N 2 2 347.419 1.039 20 0 EDADLP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000858548180 595825044 /nfs/dbraw/zinc/82/50/44/595825044.db2.gz KATHMWZKERPMNX-IAGOWNOFSA-N 2 2 347.459 1.696 20 0 EDADLP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000858548180 595825045 /nfs/dbraw/zinc/82/50/45/595825045.db2.gz KATHMWZKERPMNX-IAGOWNOFSA-N 2 2 347.459 1.696 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000853605037 595827529 /nfs/dbraw/zinc/82/75/29/595827529.db2.gz CIIUJIHUQSEKDD-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000853605037 595827531 /nfs/dbraw/zinc/82/75/31/595827531.db2.gz CIIUJIHUQSEKDD-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CCO1 ZINC000853605037 595827533 /nfs/dbraw/zinc/82/75/33/595827533.db2.gz CIIUJIHUQSEKDD-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CCO1 ZINC000853605037 595827534 /nfs/dbraw/zinc/82/75/34/595827534.db2.gz CIIUJIHUQSEKDD-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000851899284 595967577 /nfs/dbraw/zinc/96/75/77/595967577.db2.gz TVZJOQWYAGHSGC-WMLDXEAASA-N 2 2 335.448 1.995 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000851899284 595967580 /nfs/dbraw/zinc/96/75/80/595967580.db2.gz TVZJOQWYAGHSGC-WMLDXEAASA-N 2 2 335.448 1.995 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854097048 595974718 /nfs/dbraw/zinc/97/47/18/595974718.db2.gz ZAHZWLIQCOBHLD-HUUCEWRRSA-N 2 2 333.436 1.224 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nccc(N)n3)C2)ccn1 ZINC000856585125 596022809 /nfs/dbraw/zinc/02/28/09/596022809.db2.gz ZPBDIXLDJQCWIW-MRXNPFEDSA-N 2 2 342.447 1.559 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nccc(N)n3)C2)ccn1 ZINC000856585125 596022812 /nfs/dbraw/zinc/02/28/12/596022812.db2.gz ZPBDIXLDJQCWIW-MRXNPFEDSA-N 2 2 342.447 1.559 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nccc(N)n3)C2)ccn1 ZINC000856585125 596022817 /nfs/dbraw/zinc/02/28/17/596022817.db2.gz ZPBDIXLDJQCWIW-MRXNPFEDSA-N 2 2 342.447 1.559 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nccc(N)n3)C2)ccn1 ZINC000856585125 596022821 /nfs/dbraw/zinc/02/28/21/596022821.db2.gz ZPBDIXLDJQCWIW-MRXNPFEDSA-N 2 2 342.447 1.559 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3nncn3C)C2)ccn1 ZINC000856585078 596024123 /nfs/dbraw/zinc/02/41/23/596024123.db2.gz YKEABGRVIKGEES-YOEHRIQHSA-N 2 2 344.463 1.876 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3nncn3C)C2)ccn1 ZINC000856585078 596024126 /nfs/dbraw/zinc/02/41/26/596024126.db2.gz YKEABGRVIKGEES-YOEHRIQHSA-N 2 2 344.463 1.876 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)c3nncn3C)C2)ccn1 ZINC000856585078 596024128 /nfs/dbraw/zinc/02/41/28/596024128.db2.gz YKEABGRVIKGEES-YOEHRIQHSA-N 2 2 344.463 1.876 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)c3nncn3C)C2)ccn1 ZINC000856585078 596024130 /nfs/dbraw/zinc/02/41/30/596024130.db2.gz YKEABGRVIKGEES-YOEHRIQHSA-N 2 2 344.463 1.876 20 0 EDADLP O=C(CCCC[NH+]1CCCC1)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000854340660 596042753 /nfs/dbraw/zinc/04/27/53/596042753.db2.gz LDAYRRYKUOUKFV-UHFFFAOYSA-N 2 2 349.479 1.938 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC[C@H]1C(F)(F)F ZINC000861635703 596053547 /nfs/dbraw/zinc/05/35/47/596053547.db2.gz RVHXJKQFKJKIKC-MXWKQRLJSA-N 2 2 331.342 1.497 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c21 ZINC000852363688 596136889 /nfs/dbraw/zinc/13/68/89/596136889.db2.gz SRYZSYZJORHZNH-JKSUJKDBSA-N 2 2 325.416 1.902 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N[C@@H]1CCn2cc[nH+]c21 ZINC000852363688 596136892 /nfs/dbraw/zinc/13/68/92/596136892.db2.gz SRYZSYZJORHZNH-JKSUJKDBSA-N 2 2 325.416 1.902 20 0 EDADLP O=C1OCCN1[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000852442875 596165231 /nfs/dbraw/zinc/16/52/31/596165231.db2.gz MVASRYGMYUVPIA-GOSISDBHSA-N 2 2 345.443 1.545 20 0 EDADLP O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000852442875 596165234 /nfs/dbraw/zinc/16/52/34/596165234.db2.gz MVASRYGMYUVPIA-GOSISDBHSA-N 2 2 345.443 1.545 20 0 EDADLP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(F)c(F)c1 ZINC000852710601 596231423 /nfs/dbraw/zinc/23/14/23/596231423.db2.gz SKKIMZHQHICRTO-WMLDXEAASA-N 2 2 326.387 1.529 20 0 EDADLP O[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccc(F)c(F)c1 ZINC000852710601 596231424 /nfs/dbraw/zinc/23/14/24/596231424.db2.gz SKKIMZHQHICRTO-WMLDXEAASA-N 2 2 326.387 1.529 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866666898 596284956 /nfs/dbraw/zinc/28/49/56/596284956.db2.gz YLTSAAPNLCEEOZ-CYBMUJFWSA-N 2 2 341.406 1.046 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866666898 596284957 /nfs/dbraw/zinc/28/49/57/596284957.db2.gz YLTSAAPNLCEEOZ-CYBMUJFWSA-N 2 2 341.406 1.046 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000118842166 596296091 /nfs/dbraw/zinc/29/60/91/596296091.db2.gz XMQMQGUYFVMJQX-ZDUSSCGKSA-N 2 2 329.466 1.304 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000118842166 596296092 /nfs/dbraw/zinc/29/60/92/596296092.db2.gz XMQMQGUYFVMJQX-ZDUSSCGKSA-N 2 2 329.466 1.304 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000118842166 596296093 /nfs/dbraw/zinc/29/60/93/596296093.db2.gz XMQMQGUYFVMJQX-ZDUSSCGKSA-N 2 2 329.466 1.304 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000118842166 596296094 /nfs/dbraw/zinc/29/60/94/596296094.db2.gz XMQMQGUYFVMJQX-ZDUSSCGKSA-N 2 2 329.466 1.304 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cn4cc(F)ccc4[nH+]3)CC[C@H]21 ZINC000866709491 596303447 /nfs/dbraw/zinc/30/34/47/596303447.db2.gz KOEBBVLRGVZKMZ-XJKSGUPXSA-N 2 2 330.407 1.959 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3cn4cc(F)ccc4[nH+]3)CC[C@H]21 ZINC000866709491 596303451 /nfs/dbraw/zinc/30/34/51/596303451.db2.gz KOEBBVLRGVZKMZ-XJKSGUPXSA-N 2 2 330.407 1.959 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+](CC(F)F)C1)C(C)(C)C[NH+]1CCOCC1 ZINC000868891761 596341711 /nfs/dbraw/zinc/34/17/11/596341711.db2.gz QRELHBNATUGJNQ-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)C(C)(C)C[NH+]1CCOCC1 ZINC000868891761 596341714 /nfs/dbraw/zinc/34/17/14/596341714.db2.gz QRELHBNATUGJNQ-AWEZNQCLSA-N 2 2 347.450 1.533 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000870862829 596381117 /nfs/dbraw/zinc/38/11/17/596381117.db2.gz BVHSRHUHRCKISJ-FGTMMUONSA-N 2 2 331.460 1.694 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)C2)c1 ZINC000870978060 596424871 /nfs/dbraw/zinc/42/48/71/596424871.db2.gz PVTPGGPCIGNOEP-HUUCEWRRSA-N 2 2 341.402 1.295 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)C2)c1 ZINC000870978060 596424876 /nfs/dbraw/zinc/42/48/76/596424876.db2.gz PVTPGGPCIGNOEP-HUUCEWRRSA-N 2 2 341.402 1.295 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[NH2+]C(C)C)C2)cc1 ZINC000870978801 596425833 /nfs/dbraw/zinc/42/58/33/596425833.db2.gz CKKWJUWGZASPDJ-SFHVURJKSA-N 2 2 333.476 1.700 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[NH2+]C(C)C)C2)cc1 ZINC000870978801 596425834 /nfs/dbraw/zinc/42/58/34/596425834.db2.gz CKKWJUWGZASPDJ-SFHVURJKSA-N 2 2 333.476 1.700 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000870980156 596427543 /nfs/dbraw/zinc/42/75/43/596427543.db2.gz XSOJVZNHRQTIFZ-RBUKOAKNSA-N 2 2 345.487 1.844 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CC[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000870980156 596427546 /nfs/dbraw/zinc/42/75/46/596427546.db2.gz XSOJVZNHRQTIFZ-RBUKOAKNSA-N 2 2 345.487 1.844 20 0 EDADLP C[C@@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)c1[nH+]ccn1C ZINC000869302293 596479549 /nfs/dbraw/zinc/47/95/49/596479549.db2.gz UJVLCOHLSQDCQL-NEPJUHHUSA-N 2 2 339.440 1.052 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000869307942 596481957 /nfs/dbraw/zinc/48/19/57/596481957.db2.gz XRXUXCCBCPGJKP-GINYUPMKSA-N 2 2 329.444 1.266 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000869307942 596481961 /nfs/dbraw/zinc/48/19/61/596481961.db2.gz XRXUXCCBCPGJKP-GINYUPMKSA-N 2 2 329.444 1.266 20 0 EDADLP C[C@@H](O)c1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)[nH+]c1 ZINC000865430130 596572622 /nfs/dbraw/zinc/57/26/22/596572622.db2.gz OJJHKKIUIDSLTD-OAHLLOKOSA-N 2 2 342.447 1.549 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CCCO1 ZINC000867826504 596573859 /nfs/dbraw/zinc/57/38/59/596573859.db2.gz LJZNVLNFXHVHDY-HUUCEWRRSA-N 2 2 347.450 1.581 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CCCO1 ZINC000867826504 596573862 /nfs/dbraw/zinc/57/38/62/596573862.db2.gz LJZNVLNFXHVHDY-HUUCEWRRSA-N 2 2 347.450 1.581 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CCCO1 ZINC000867826504 596573865 /nfs/dbraw/zinc/57/38/65/596573865.db2.gz LJZNVLNFXHVHDY-HUUCEWRRSA-N 2 2 347.450 1.581 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CCCO1 ZINC000867826504 596573866 /nfs/dbraw/zinc/57/38/66/596573866.db2.gz LJZNVLNFXHVHDY-HUUCEWRRSA-N 2 2 347.450 1.581 20 0 EDADLP c1c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nnn1C[C@@H]1CCOC1 ZINC000865462327 596582700 /nfs/dbraw/zinc/58/27/00/596582700.db2.gz KIRBDWBCYJVCQW-MAUKXSAKSA-N 2 2 349.479 1.048 20 0 EDADLP COC(C)(C)c1nsc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865535467 596603917 /nfs/dbraw/zinc/60/39/17/596603917.db2.gz MFXKSLZYSJXHOE-LBPRGKRZSA-N 2 2 339.509 2.000 20 0 EDADLP COC(C)(C)c1nsc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865535467 596603920 /nfs/dbraw/zinc/60/39/20/596603920.db2.gz MFXKSLZYSJXHOE-LBPRGKRZSA-N 2 2 339.509 2.000 20 0 EDADLP Cn1cc[nH+]c1N1CCN(c2nc(N)[nH+]c(C3CCCC3)n2)CC1 ZINC000865547752 596607796 /nfs/dbraw/zinc/60/77/96/596607796.db2.gz YVPKJTLKZRDAKL-UHFFFAOYSA-N 2 2 328.424 1.172 20 0 EDADLP C[NH+](C)C1(C(=O)NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC000871543572 596622487 /nfs/dbraw/zinc/62/24/87/596622487.db2.gz ORRVRUXAFVWWER-UHFFFAOYSA-N 2 2 325.453 1.003 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863582826 596626865 /nfs/dbraw/zinc/62/68/65/596626865.db2.gz UXTDSFQRUFNJGN-YJBOKZPZSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000863582826 596626866 /nfs/dbraw/zinc/62/68/66/596626866.db2.gz UXTDSFQRUFNJGN-YJBOKZPZSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869815238 596647018 /nfs/dbraw/zinc/64/70/18/596647018.db2.gz MNHFTPDCGBYIDV-QGZVFWFLSA-N 2 2 343.471 1.299 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH2+][C@@H]3C)C2)cc1 ZINC000867997710 596648002 /nfs/dbraw/zinc/64/80/02/596648002.db2.gz ISLKJVDEQICFBT-KBAYOESNSA-N 2 2 331.460 1.310 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CC[NH2+][C@@H]3C)C2)cc1 ZINC000867997710 596648004 /nfs/dbraw/zinc/64/80/04/596648004.db2.gz ISLKJVDEQICFBT-KBAYOESNSA-N 2 2 331.460 1.310 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[NH2+]C3CC3)C2)c1 ZINC000867998077 596648431 /nfs/dbraw/zinc/64/84/31/596648431.db2.gz OXFJFRLHJGREHA-SFHVURJKSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[NH2+]C3CC3)C2)c1 ZINC000867998077 596648434 /nfs/dbraw/zinc/64/84/34/596648434.db2.gz OXFJFRLHJGREHA-SFHVURJKSA-N 2 2 331.460 1.454 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000867999167 596649746 /nfs/dbraw/zinc/64/97/46/596649746.db2.gz TWKSYVVAOOWOCI-QGZVFWFLSA-N 2 2 340.431 1.119 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000867999167 596649749 /nfs/dbraw/zinc/64/97/49/596649749.db2.gz TWKSYVVAOOWOCI-QGZVFWFLSA-N 2 2 340.431 1.119 20 0 EDADLP C[C@H]1OCC[C@H]1CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000871729987 596679855 /nfs/dbraw/zinc/67/98/55/596679855.db2.gz LKNXHIWBCZYENV-ZBFHGGJFSA-N 2 2 347.459 1.915 20 0 EDADLP Cn1c[nH+]cc1CCO[NH+]=C(N)[C@H]1CCC(=O)N(CC2CCC2)C1 ZINC000871773438 596693783 /nfs/dbraw/zinc/69/37/83/596693783.db2.gz VSGDCRIBTFWDIA-AWEZNQCLSA-N 2 2 333.436 1.500 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)ccn12 ZINC000870017114 596709615 /nfs/dbraw/zinc/70/96/15/596709615.db2.gz FYMWJOKKVNOEDR-IAGOWNOFSA-N 3 2 343.475 1.454 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000865887448 596711082 /nfs/dbraw/zinc/71/10/82/596711082.db2.gz QNKQGOSMFOXOTK-STISFXCESA-N 2 2 343.471 1.656 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000865887448 596711084 /nfs/dbraw/zinc/71/10/84/596711084.db2.gz QNKQGOSMFOXOTK-STISFXCESA-N 2 2 343.471 1.656 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000863939820 596721728 /nfs/dbraw/zinc/72/17/28/596721728.db2.gz NYIXOSNBAGWVPY-ROUUACIJSA-N 2 2 331.460 1.556 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000863939820 596721732 /nfs/dbraw/zinc/72/17/32/596721732.db2.gz NYIXOSNBAGWVPY-ROUUACIJSA-N 2 2 331.460 1.556 20 0 EDADLP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3COCC[N@@H+]3C)c2)C1 ZINC000863939820 596721735 /nfs/dbraw/zinc/72/17/35/596721735.db2.gz NYIXOSNBAGWVPY-ROUUACIJSA-N 2 2 331.460 1.556 20 0 EDADLP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3COCC[N@H+]3C)c2)C1 ZINC000863939820 596721736 /nfs/dbraw/zinc/72/17/36/596721736.db2.gz NYIXOSNBAGWVPY-ROUUACIJSA-N 2 2 331.460 1.556 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cc3n(n2)CC[N@H+](C)C3)cc1 ZINC000868203810 596722198 /nfs/dbraw/zinc/72/21/98/596722198.db2.gz IFVIQHBQILPOFP-GFCCVEGCSA-N 2 2 328.420 1.670 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)cc1 ZINC000868203810 596722200 /nfs/dbraw/zinc/72/22/00/596722200.db2.gz IFVIQHBQILPOFP-GFCCVEGCSA-N 2 2 328.420 1.670 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000865990091 596749279 /nfs/dbraw/zinc/74/92/79/596749279.db2.gz PMRWLHZILIKRRI-KYJSFNMBSA-N 2 2 342.443 1.955 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000865990091 596749282 /nfs/dbraw/zinc/74/92/82/596749282.db2.gz PMRWLHZILIKRRI-KYJSFNMBSA-N 2 2 342.443 1.955 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCSCC3)CC[NH2+]2)c1 ZINC000870150987 596775122 /nfs/dbraw/zinc/77/51/22/596775122.db2.gz RASFUXCLZPKJBE-PBHICJAKSA-N 2 2 349.500 1.605 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000870156669 596778656 /nfs/dbraw/zinc/77/86/56/596778656.db2.gz AZQFVEMGKBPURF-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000870156669 596778659 /nfs/dbraw/zinc/77/86/59/596778659.db2.gz AZQFVEMGKBPURF-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(N(C)C)[nH+]1 ZINC000868306817 596780718 /nfs/dbraw/zinc/78/07/18/596780718.db2.gz CWKIGLCFETWDTI-BTTYYORXSA-N 2 2 345.447 1.041 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000866140652 596802319 /nfs/dbraw/zinc/80/23/19/596802319.db2.gz NHYLFWJYHHPJOF-MRXNPFEDSA-N 2 2 340.427 1.224 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000866140652 596802322 /nfs/dbraw/zinc/80/23/22/596802322.db2.gz NHYLFWJYHHPJOF-MRXNPFEDSA-N 2 2 340.427 1.224 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3nc4c(cnn4C(C)(C)C)c(N)[nH+]3)CC[C@@H]21 ZINC000866207298 596827576 /nfs/dbraw/zinc/82/75/76/596827576.db2.gz CKGOVAULFNIBNN-YPMHNXCESA-N 2 2 329.452 1.694 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3nc4c(cnn4C(C)(C)C)c(N)[nH+]3)CC[C@@H]21 ZINC000866207298 596827577 /nfs/dbraw/zinc/82/75/77/596827577.db2.gz CKGOVAULFNIBNN-YPMHNXCESA-N 2 2 329.452 1.694 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000872255861 596856359 /nfs/dbraw/zinc/85/63/59/596856359.db2.gz MZXNBVNOFHTTMS-YUELXQCFSA-N 2 2 339.798 1.846 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000872255861 596856363 /nfs/dbraw/zinc/85/63/63/596856363.db2.gz MZXNBVNOFHTTMS-YUELXQCFSA-N 2 2 339.798 1.846 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NCC1(N2CCOCC2)CC1 ZINC000868545867 596879124 /nfs/dbraw/zinc/87/91/24/596879124.db2.gz QUEFFNJOUPJYJO-QGZVFWFLSA-N 2 2 344.459 1.337 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000868545867 596879127 /nfs/dbraw/zinc/87/91/27/596879127.db2.gz QUEFFNJOUPJYJO-QGZVFWFLSA-N 2 2 344.459 1.337 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000868545867 596879129 /nfs/dbraw/zinc/87/91/29/596879129.db2.gz QUEFFNJOUPJYJO-QGZVFWFLSA-N 2 2 344.459 1.337 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000866414243 596880384 /nfs/dbraw/zinc/88/03/84/596880384.db2.gz BCWDRDLNFZNJQG-ONEGZZNKSA-N 2 2 337.508 1.749 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](CN3C(=O)[C@H](C4CC4)[C@H]3C3CC3)CC2)CC1 ZINC000872731369 597049832 /nfs/dbraw/zinc/04/98/32/597049832.db2.gz CPFRXVLLYNTJJC-RTBURBONSA-N 2 2 346.519 1.303 20 0 EDADLP CCC1(CC)CCN(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1=O ZINC000872731379 597050080 /nfs/dbraw/zinc/05/00/80/597050080.db2.gz CXPLCRNKYUXFSG-UHFFFAOYSA-N 2 2 336.524 1.694 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@H]3CCC[N@@H+]4C)nc[nH+]2)C1 ZINC000872778143 597063745 /nfs/dbraw/zinc/06/37/45/597063745.db2.gz BDYWFNBTYPUEFF-XUWVNRHRSA-N 2 2 331.464 1.357 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@H]3CCC[N@H+]4C)nc[nH+]2)C1 ZINC000872778143 597063750 /nfs/dbraw/zinc/06/37/50/597063750.db2.gz BDYWFNBTYPUEFF-XUWVNRHRSA-N 2 2 331.464 1.357 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000872778517 597064350 /nfs/dbraw/zinc/06/43/50/597064350.db2.gz AXYQATYZZCPPIK-HRCADAONSA-N 2 2 331.464 1.501 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000872778517 597064353 /nfs/dbraw/zinc/06/43/53/597064353.db2.gz AXYQATYZZCPPIK-HRCADAONSA-N 2 2 331.464 1.501 20 0 EDADLP CN(C(=O)NCc1ccnc(F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876039998 597070512 /nfs/dbraw/zinc/07/05/12/597070512.db2.gz GDYDZLIMZKCRPJ-MRXNPFEDSA-N 2 2 349.454 1.531 20 0 EDADLP CN(C(=O)NCc1ccnc(F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876039998 597070516 /nfs/dbraw/zinc/07/05/16/597070516.db2.gz GDYDZLIMZKCRPJ-MRXNPFEDSA-N 2 2 349.454 1.531 20 0 EDADLP COc1cc2c(cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)OCO2 ZINC000873228134 597233628 /nfs/dbraw/zinc/23/36/28/597233628.db2.gz PUKDJTBWULBTKG-WDEREUQCSA-N 2 2 332.322 1.993 20 0 EDADLP COc1cc2c(cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)OCO2 ZINC000873228134 597233632 /nfs/dbraw/zinc/23/36/32/597233632.db2.gz PUKDJTBWULBTKG-WDEREUQCSA-N 2 2 332.322 1.993 20 0 EDADLP c1ccc(N2CCC([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)[nH+]c1 ZINC000873291953 597249360 /nfs/dbraw/zinc/24/93/60/597249360.db2.gz OKDVNIXRFFSWCR-KRWDZBQOSA-N 3 2 330.476 1.799 20 0 EDADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)Nc1ccn2cc[nH+]c2c1 ZINC000873323611 597257045 /nfs/dbraw/zinc/25/70/45/597257045.db2.gz PXBSAZKTJNFYDK-CQSZACIVSA-N 2 2 329.404 1.615 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000875071414 597269758 /nfs/dbraw/zinc/26/97/58/597269758.db2.gz IVSCVELMXNPVMH-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000875071414 597269760 /nfs/dbraw/zinc/26/97/60/597269760.db2.gz IVSCVELMXNPVMH-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000875071414 597269762 /nfs/dbraw/zinc/26/97/62/597269762.db2.gz IVSCVELMXNPVMH-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000875071414 597269763 /nfs/dbraw/zinc/26/97/63/597269763.db2.gz IVSCVELMXNPVMH-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cn1 ZINC000875127862 597293315 /nfs/dbraw/zinc/29/33/15/597293315.db2.gz IFMSADVHALIQKJ-CQSZACIVSA-N 2 2 337.387 1.196 20 0 EDADLP Cn1ncc2cc(C[NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)cnc21 ZINC000876715566 597301956 /nfs/dbraw/zinc/30/19/56/597301956.db2.gz PJBQHLVJKAINAI-KRWDZBQOSA-N 2 2 328.464 1.180 20 0 EDADLP Cn1ncc2cc(C[NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cnc21 ZINC000876715566 597301961 /nfs/dbraw/zinc/30/19/61/597301961.db2.gz PJBQHLVJKAINAI-KRWDZBQOSA-N 2 2 328.464 1.180 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000876724241 597306642 /nfs/dbraw/zinc/30/66/42/597306642.db2.gz QVICKRSRTZRNSR-IAGOWNOFSA-N 2 2 344.459 1.993 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000876737078 597314001 /nfs/dbraw/zinc/31/40/01/597314001.db2.gz PSFBOQREKGNHGT-QNMZXZFYSA-N 2 2 329.444 1.869 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000875191930 597321906 /nfs/dbraw/zinc/32/19/06/597321906.db2.gz FGQWAKWEAUTVMY-INIZCTEOSA-N 2 2 340.431 1.781 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000876785270 597339613 /nfs/dbraw/zinc/33/96/13/597339613.db2.gz SMXGWPNTSIAFHS-HEAODLIZSA-N 2 2 328.460 1.699 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)C2)cc1 ZINC000877249907 597479464 /nfs/dbraw/zinc/47/94/64/597479464.db2.gz YOQLJAGATVGEJY-KSZLIROESA-N 2 2 349.450 1.260 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)C2)cc1 ZINC000877249907 597479465 /nfs/dbraw/zinc/47/94/65/597479465.db2.gz YOQLJAGATVGEJY-KSZLIROESA-N 2 2 349.450 1.260 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000877251993 597480197 /nfs/dbraw/zinc/48/01/97/597480197.db2.gz WUJSCJHRLJZIRL-NJAFHUGGSA-N 2 2 334.508 1.146 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000877480761 597523201 /nfs/dbraw/zinc/52/32/01/597523201.db2.gz HCSLIQGTAMBREX-ZBFHGGJFSA-N 2 2 330.436 1.570 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000877480761 597523202 /nfs/dbraw/zinc/52/32/02/597523202.db2.gz HCSLIQGTAMBREX-ZBFHGGJFSA-N 2 2 330.436 1.570 20 0 EDADLP Cn1ncc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cnc21 ZINC000877501770 597525981 /nfs/dbraw/zinc/52/59/81/597525981.db2.gz UJIFUYJRPPMCSM-HNNXBMFYSA-N 2 2 329.448 1.513 20 0 EDADLP Cn1ncc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cnc21 ZINC000877501770 597525982 /nfs/dbraw/zinc/52/59/82/597525982.db2.gz UJIFUYJRPPMCSM-HNNXBMFYSA-N 2 2 329.448 1.513 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCn3c(nnc3-c3cn(C)cn3)C2)c[nH+]1 ZINC000877741189 597552125 /nfs/dbraw/zinc/55/21/25/597552125.db2.gz TUJBVSCUONJYJL-UHFFFAOYSA-N 2 2 337.431 1.830 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCn3c(nnc3-c3cn(C)cn3)C2)c[nH+]1 ZINC000877741189 597552126 /nfs/dbraw/zinc/55/21/26/597552126.db2.gz TUJBVSCUONJYJL-UHFFFAOYSA-N 2 2 337.431 1.830 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000877959398 597566279 /nfs/dbraw/zinc/56/62/79/597566279.db2.gz WBZRRYAKRSUORY-MSOLQXFVSA-N 2 2 331.460 1.613 20 0 EDADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H]1OCCc2ccccc21 ZINC000878035087 597571110 /nfs/dbraw/zinc/57/11/10/597571110.db2.gz YESJYLTZSRHTNN-SFHVURJKSA-N 2 2 331.460 1.443 20 0 EDADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H]1OCCc2ccccc21 ZINC000878035087 597571111 /nfs/dbraw/zinc/57/11/11/597571111.db2.gz YESJYLTZSRHTNN-SFHVURJKSA-N 2 2 331.460 1.443 20 0 EDADLP C[N@H+](C[C@H](O)CC(C)(C)O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000878468383 597605231 /nfs/dbraw/zinc/60/52/31/597605231.db2.gz VOOZOERODZMTMN-IEBWSBKVSA-N 2 2 336.476 1.077 20 0 EDADLP C[N@@H+](C[C@H](O)CC(C)(C)O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000878468383 597605234 /nfs/dbraw/zinc/60/52/34/597605234.db2.gz VOOZOERODZMTMN-IEBWSBKVSA-N 2 2 336.476 1.077 20 0 EDADLP C[NH+](C[C@H](O)CC(C)(C)O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000878468383 597605237 /nfs/dbraw/zinc/60/52/37/597605237.db2.gz VOOZOERODZMTMN-IEBWSBKVSA-N 2 2 336.476 1.077 20 0 EDADLP C[NH+](C[C@H](O)CC(C)(C)O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000878468383 597605242 /nfs/dbraw/zinc/60/52/42/597605242.db2.gz VOOZOERODZMTMN-IEBWSBKVSA-N 2 2 336.476 1.077 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccccc1C(N)=O ZINC000130853135 597633504 /nfs/dbraw/zinc/63/35/04/597633504.db2.gz FYPZNVKNGJCFQN-UHFFFAOYSA-N 2 2 329.404 1.251 20 0 EDADLP CN(CCC[N@H+](C)Cc1nnc(-c2ccccc2O)o1)CC[NH+](C)C ZINC000878622836 597658770 /nfs/dbraw/zinc/65/87/70/597658770.db2.gz AWFZOTTXBALEKS-UHFFFAOYSA-N 2 2 347.463 1.758 20 0 EDADLP CN(CCC[N@@H+](C)Cc1nnc(-c2ccccc2O)o1)CC[NH+](C)C ZINC000878622836 597658775 /nfs/dbraw/zinc/65/87/75/597658775.db2.gz AWFZOTTXBALEKS-UHFFFAOYSA-N 2 2 347.463 1.758 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN1c1cc[nH+]cc1 ZINC000881631234 597664778 /nfs/dbraw/zinc/66/47/78/597664778.db2.gz RQRUNNLMUMOGND-HUUCEWRRSA-N 2 2 325.416 1.578 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCN1c1cc[nH+]cc1 ZINC000881632924 597665889 /nfs/dbraw/zinc/66/58/89/597665889.db2.gz GLRKSANIQOMNCF-CABCVRRESA-N 2 2 325.416 1.578 20 0 EDADLP COC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CCCOC1 ZINC000883187756 597681262 /nfs/dbraw/zinc/68/12/62/597681262.db2.gz VJKFJPWULSMXRQ-RDJZCZTQSA-N 2 2 328.497 1.907 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCOC1 ZINC000883371664 597726251 /nfs/dbraw/zinc/72/62/51/597726251.db2.gz UEGRJIIASCBCLT-QRVBRYPASA-N 2 2 339.524 1.578 20 0 EDADLP COCC[N@@H+](Cc1nnc2n1CCCCC2)CC1CC[NH+](C)CC1 ZINC000879127364 597827406 /nfs/dbraw/zinc/82/74/06/597827406.db2.gz WTBUCMMSLHVFSS-UHFFFAOYSA-N 2 2 335.496 1.795 20 0 EDADLP COCC[N@H+](Cc1nnc2n1CCCCC2)CC1CC[NH+](C)CC1 ZINC000879127364 597827409 /nfs/dbraw/zinc/82/74/09/597827409.db2.gz WTBUCMMSLHVFSS-UHFFFAOYSA-N 2 2 335.496 1.795 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000884185246 598018036 /nfs/dbraw/zinc/01/80/36/598018036.db2.gz PDCGINKYYYBAAY-AWEZNQCLSA-N 2 2 338.249 1.756 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884193422 598021636 /nfs/dbraw/zinc/02/16/36/598021636.db2.gz FWRXZSOALFEZHO-GWCFXTLKSA-N 2 2 337.221 1.850 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)Cn1cc[nH+]c1 ZINC000884196684 598023703 /nfs/dbraw/zinc/02/37/03/598023703.db2.gz XUWAXGWPGMTEHD-CZUORRHYSA-N 2 2 325.416 1.687 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000914293979 695341122 /nfs/dbraw/zinc/34/11/22/695341122.db2.gz SHSRNBXLPULTPW-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914307683 695354577 /nfs/dbraw/zinc/35/45/77/695354577.db2.gz HYGXHXLCCGCUKN-CABCVRRESA-N 2 2 337.493 1.542 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914307683 695354578 /nfs/dbraw/zinc/35/45/78/695354578.db2.gz HYGXHXLCCGCUKN-CABCVRRESA-N 2 2 337.493 1.542 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939856198 699994713 /nfs/dbraw/zinc/99/47/13/699994713.db2.gz KJXFGULOFZLVLK-WBMJQRKESA-N 2 2 329.404 1.385 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccncc1Cl ZINC000939857678 699996842 /nfs/dbraw/zinc/99/68/42/699996842.db2.gz TYQLKFPIFYCEIG-IUODEOHRSA-N 2 2 333.823 1.568 20 0 EDADLP Cc1ccc(F)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c1 ZINC000939855635 699993742 /nfs/dbraw/zinc/99/37/42/699993742.db2.gz FGLGFYZTSHNXDW-WMLDXEAASA-N 2 2 330.407 1.967 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nccs3)[C@H]2C1 ZINC000992927257 695457960 /nfs/dbraw/zinc/45/79/60/695457960.db2.gz WXAGSPLJOISGPQ-KKUMJFAQSA-N 2 2 345.472 1.757 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001031085220 695490263 /nfs/dbraw/zinc/49/02/63/695490263.db2.gz LKTXRYPLWYQYAX-HNNXBMFYSA-N 2 2 341.459 1.620 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1Cc1cncn1C ZINC000993559722 696243080 /nfs/dbraw/zinc/24/30/80/696243080.db2.gz CDSXQMKVLSUODB-RDJZCZTQSA-N 2 2 345.491 1.518 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1Cc1cncn1C ZINC000993559722 696243081 /nfs/dbraw/zinc/24/30/81/696243081.db2.gz CDSXQMKVLSUODB-RDJZCZTQSA-N 2 2 345.491 1.518 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC000993614856 696260074 /nfs/dbraw/zinc/26/00/74/696260074.db2.gz MUSFRUXNFNCAKX-RHSMWYFYSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC000993614856 696260077 /nfs/dbraw/zinc/26/00/77/696260077.db2.gz MUSFRUXNFNCAKX-RHSMWYFYSA-N 2 2 345.422 1.895 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@@H+]1CCF ZINC000994113484 696538703 /nfs/dbraw/zinc/53/87/03/696538703.db2.gz LDQSGRDJQPSBSP-BBRMVZONSA-N 2 2 331.395 1.820 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@H+]1CCF ZINC000994113484 696538704 /nfs/dbraw/zinc/53/87/04/696538704.db2.gz LDQSGRDJQPSBSP-BBRMVZONSA-N 2 2 331.395 1.820 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000444182089 696590446 /nfs/dbraw/zinc/59/04/46/696590446.db2.gz BZUJQWRPCPTYCA-OAGGEKHMSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000444182089 696590448 /nfs/dbraw/zinc/59/04/48/696590448.db2.gz BZUJQWRPCPTYCA-OAGGEKHMSA-N 2 2 331.464 1.936 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ncn2)[C@H]1C ZINC000994425266 696847307 /nfs/dbraw/zinc/84/73/07/696847307.db2.gz RRVKUUHGFKXCAZ-YOEHRIQHSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ncn2)[C@H]1C ZINC000994425266 696847311 /nfs/dbraw/zinc/84/73/11/696847311.db2.gz RRVKUUHGFKXCAZ-YOEHRIQHSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994508172 696947079 /nfs/dbraw/zinc/94/70/79/696947079.db2.gz PLKCRZKHSSETMA-NVXWUHKLSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994508172 696947082 /nfs/dbraw/zinc/94/70/82/696947082.db2.gz PLKCRZKHSSETMA-NVXWUHKLSA-N 2 2 327.432 1.756 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001031384388 697003790 /nfs/dbraw/zinc/00/37/90/697003790.db2.gz FFARPWPWOVDTFP-XIRDDKMYSA-N 2 2 349.425 1.787 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H]3[C@H](c4ccccc4)C3(F)F)C2)C1 ZINC001031384388 697003792 /nfs/dbraw/zinc/00/37/92/697003792.db2.gz FFARPWPWOVDTFP-XIRDDKMYSA-N 2 2 349.425 1.787 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CCCc2cccc(F)c2)C1 ZINC001031391436 697018960 /nfs/dbraw/zinc/01/89/60/697018960.db2.gz GFOGZUUCQSLFSZ-UHFFFAOYSA-N 2 2 330.407 1.764 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCc3cccc(C)c3)C2)C1 ZINC001031419299 697073128 /nfs/dbraw/zinc/07/31/28/697073128.db2.gz VZWSAFRUEGFSAD-LJQANCHMSA-N 2 2 345.487 1.449 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCc3cccc(C)c3)C2)C1 ZINC001031419299 697073130 /nfs/dbraw/zinc/07/31/30/697073130.db2.gz VZWSAFRUEGFSAD-LJQANCHMSA-N 2 2 345.487 1.449 20 0 EDADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H](O)CO)CC1 ZINC000930072094 697273461 /nfs/dbraw/zinc/27/34/61/697273461.db2.gz PFZHJHAVWDSQHT-INIZCTEOSA-N 2 2 346.393 1.955 20 0 EDADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H](O)CO)CC1 ZINC000930072094 697273462 /nfs/dbraw/zinc/27/34/62/697273462.db2.gz PFZHJHAVWDSQHT-INIZCTEOSA-N 2 2 346.393 1.955 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC001031595625 697295024 /nfs/dbraw/zinc/29/50/24/697295024.db2.gz ZYWPGYWKSNWGDS-QGZVFWFLSA-N 2 2 335.423 1.035 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(CF)cc3)C2)C1 ZINC001031595625 697295026 /nfs/dbraw/zinc/29/50/26/697295026.db2.gz ZYWPGYWKSNWGDS-QGZVFWFLSA-N 2 2 335.423 1.035 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC001031596255 697296741 /nfs/dbraw/zinc/29/67/41/697296741.db2.gz JBCAKIDDUDELEP-MSOLQXFVSA-N 2 2 347.434 1.192 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC001031596255 697296742 /nfs/dbraw/zinc/29/67/42/697296742.db2.gz JBCAKIDDUDELEP-MSOLQXFVSA-N 2 2 347.434 1.192 20 0 EDADLP C[N@@H+]1Cc2ccc(NC(=S)NCCC[NH+]3CCOCC3)cc2C1 ZINC000919719211 697322756 /nfs/dbraw/zinc/32/27/56/697322756.db2.gz XZHULNVCFIQMIY-UHFFFAOYSA-N 2 2 334.489 1.641 20 0 EDADLP C[N@H+]1Cc2ccc(NC(=S)NCCC[NH+]3CCOCC3)cc2C1 ZINC000919719211 697322757 /nfs/dbraw/zinc/32/27/57/697322757.db2.gz XZHULNVCFIQMIY-UHFFFAOYSA-N 2 2 334.489 1.641 20 0 EDADLP O=C(NCC1C[NH+](CC=C(Cl)Cl)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031674051 697482373 /nfs/dbraw/zinc/48/23/73/697482373.db2.gz CEYYAJPXUFVXFX-CYBMUJFWSA-N 2 2 332.275 1.695 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cc2F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675341 697485088 /nfs/dbraw/zinc/48/50/88/697485088.db2.gz DOGPENPUAUSHCO-KRWDZBQOSA-N 2 2 349.425 1.855 20 0 EDADLP CC(C)=CC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031685986 697515754 /nfs/dbraw/zinc/51/57/54/697515754.db2.gz IDVOMWFAWPDHJD-QGZVFWFLSA-N 2 2 331.464 1.804 20 0 EDADLP CCn1cc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)nn1 ZINC000940082920 700177181 /nfs/dbraw/zinc/17/71/81/700177181.db2.gz DHBJFVJXLFRUJP-UHFFFAOYSA-N 2 2 345.451 1.125 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)nc1 ZINC000940083202 700177541 /nfs/dbraw/zinc/17/75/41/700177541.db2.gz JFXNFZUYWCVGTC-UHFFFAOYSA-N 2 2 342.447 1.612 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943174775 697867584 /nfs/dbraw/zinc/86/75/84/697867584.db2.gz DHNTXPXEXWWNCF-SWLSCSKDSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943174775 697867588 /nfs/dbraw/zinc/86/75/88/697867588.db2.gz DHNTXPXEXWWNCF-SWLSCSKDSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000943331974 698148058 /nfs/dbraw/zinc/14/80/58/698148058.db2.gz AYMWGZDSXSZKQZ-XJKSGUPXSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000943331974 698148060 /nfs/dbraw/zinc/14/80/60/698148060.db2.gz AYMWGZDSXSZKQZ-XJKSGUPXSA-N 2 2 349.479 1.437 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000995153668 701553408 /nfs/dbraw/zinc/55/34/08/701553408.db2.gz QBCHYSMHYCKFCS-ZFWWWQNUSA-N 2 2 343.431 1.431 20 0 EDADLP Cc1csc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000995157597 701564977 /nfs/dbraw/zinc/56/49/77/701564977.db2.gz ZMWRKPOADPNRDZ-CHWSQXEVSA-N 2 2 333.461 1.792 20 0 EDADLP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783634 699210860 /nfs/dbraw/zinc/21/08/60/699210860.db2.gz DASMOUMRSOKSPD-MRXNPFEDSA-N 2 2 339.443 1.397 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1C[NH+](C[C@@H]3CCCCO3)C1)CC2 ZINC001031788966 699240369 /nfs/dbraw/zinc/24/03/69/699240369.db2.gz LGQBWPQJVNCEPB-HOTGVXAUSA-N 2 2 346.475 1.440 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939209516 699355678 /nfs/dbraw/zinc/35/56/78/699355678.db2.gz GVHGHBAKSKLLJV-BZNIZROVSA-N 2 2 334.370 1.867 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c1C ZINC000939209583 699356003 /nfs/dbraw/zinc/35/60/03/699356003.db2.gz HRIWNTCYQFOYTB-CXAGYDPISA-N 2 2 342.443 1.906 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000939210403 699357599 /nfs/dbraw/zinc/35/75/99/699357599.db2.gz NTKXQULEQSKFTH-IUODEOHRSA-N 2 2 339.399 1.730 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C)no1 ZINC000939237032 699406227 /nfs/dbraw/zinc/40/62/27/699406227.db2.gz UDEPAEGAFOYQNL-CZUORRHYSA-N 2 2 345.447 1.940 20 0 EDADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1[NH2+]CCC1CC1 ZINC000939238311 699408291 /nfs/dbraw/zinc/40/82/91/699408291.db2.gz ZZYAONZUKIIIQU-SJLPKXTDSA-N 2 2 349.519 1.868 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939257197 699434303 /nfs/dbraw/zinc/43/43/03/699434303.db2.gz KUSWDEFCNIDQAK-IUODEOHRSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)co1 ZINC000995163165 701594992 /nfs/dbraw/zinc/59/49/92/701594992.db2.gz WAVUHSNZAMFCKP-KGLIPLIRSA-N 2 2 331.420 1.334 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)c1C ZINC000939401587 699550731 /nfs/dbraw/zinc/55/07/31/699550731.db2.gz URPVZWZZYONZNI-CZUORRHYSA-N 2 2 342.443 1.906 20 0 EDADLP CC(C)C[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC000939530968 699668785 /nfs/dbraw/zinc/66/87/85/699668785.db2.gz SSFQICIIWXPXGB-PBHICJAKSA-N 2 2 327.432 1.973 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939535355 699676488 /nfs/dbraw/zinc/67/64/88/699676488.db2.gz QEEZVRZMDYOEKL-MLGOLLRUSA-N 2 2 348.397 1.878 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC000939547207 699689127 /nfs/dbraw/zinc/68/91/27/699689127.db2.gz WRRXOPMIWWRVHP-ZIAGYGMSSA-N 2 2 347.463 1.054 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C)co1 ZINC000939550703 699699799 /nfs/dbraw/zinc/69/97/99/699699799.db2.gz OVBRWXMFDPRELO-BLLLJJGKSA-N 2 2 343.431 1.694 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1ncccn1 ZINC000939550623 699699967 /nfs/dbraw/zinc/69/99/67/699699967.db2.gz NDTQRIXXJKOFCA-DZGCQCFKSA-N 2 2 340.431 1.188 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000939551525 699701175 /nfs/dbraw/zinc/70/11/75/699701175.db2.gz TVUZFZZSOUSNIP-CZUORRHYSA-N 2 2 342.447 1.131 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)sn1 ZINC000939623105 699760642 /nfs/dbraw/zinc/76/06/42/699760642.db2.gz QXQHBCKOLVBPNU-MEBBXXQBSA-N 2 2 333.461 1.662 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)ccn1 ZINC000939623687 699761316 /nfs/dbraw/zinc/76/13/16/699761316.db2.gz UKRXZYCYSJFHRU-LRDDRELGSA-N 2 2 343.431 1.301 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)cs1 ZINC000939624018 699761577 /nfs/dbraw/zinc/76/15/77/699761577.db2.gz WCJXHQBAIRPOPB-NHYWBVRUSA-N 2 2 347.488 1.916 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000939755158 699906203 /nfs/dbraw/zinc/90/62/03/699906203.db2.gz QAEFZGKACOVYNB-MLGOLLRUSA-N 2 2 343.431 1.694 20 0 EDADLP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1csnn1 ZINC000939810056 699958305 /nfs/dbraw/zinc/95/83/05/699958305.db2.gz KRPSEFWWWZLKCU-HIFRSBDPSA-N 2 2 337.493 1.351 20 0 EDADLP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1cnsn1 ZINC000939813046 699960631 /nfs/dbraw/zinc/96/06/31/699960631.db2.gz YAQJZDVEECRKHE-DZGCQCFKSA-N 2 2 337.493 1.351 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC000995064984 700486054 /nfs/dbraw/zinc/48/60/54/700486054.db2.gz JJYFDUDMVUCELK-JSGCOSHPSA-N 2 2 347.419 1.413 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CCO1 ZINC000940355934 700517852 /nfs/dbraw/zinc/51/78/52/700517852.db2.gz GVYADZBNWLAVFQ-LSDHHAIUSA-N 2 2 334.464 1.738 20 0 EDADLP CC1([NH2+]CC2CC(F)(F)C2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940354264 700537511 /nfs/dbraw/zinc/53/75/11/700537511.db2.gz YYQQOXGUTDUDQR-UHFFFAOYSA-N 2 2 326.391 1.968 20 0 EDADLP CC1([NH2+]C[C@H]2C[C@@]23CCOC3)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397343 700594285 /nfs/dbraw/zinc/59/42/85/700594285.db2.gz KMOBMDJGEPQCMH-RDTXWAMCSA-N 2 2 332.448 1.350 20 0 EDADLP CCc1noc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000940462026 700665681 /nfs/dbraw/zinc/66/56/81/700665681.db2.gz XIRMVRPCRITUAE-UHFFFAOYSA-N 2 2 346.435 1.308 20 0 EDADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838092 700935465 /nfs/dbraw/zinc/93/54/65/700935465.db2.gz DDJRRRBNVNFSEB-WBMJQRKESA-N 2 2 330.432 1.774 20 0 EDADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940838092 700935466 /nfs/dbraw/zinc/93/54/66/700935466.db2.gz DDJRRRBNVNFSEB-WBMJQRKESA-N 2 2 330.432 1.774 20 0 EDADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867633 700949068 /nfs/dbraw/zinc/94/90/68/700949068.db2.gz GVBNJPGMMGCKSD-WFASDCNBSA-N 2 2 343.431 1.038 20 0 EDADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867633 700949069 /nfs/dbraw/zinc/94/90/69/700949069.db2.gz GVBNJPGMMGCKSD-WFASDCNBSA-N 2 2 343.431 1.038 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000940886274 700964244 /nfs/dbraw/zinc/96/42/44/700964244.db2.gz NMXHUNBMKRHWAV-HNNXBMFYSA-N 2 2 330.432 1.547 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC000940886274 700964245 /nfs/dbraw/zinc/96/42/45/700964245.db2.gz NMXHUNBMKRHWAV-HNNXBMFYSA-N 2 2 330.432 1.547 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025684 701064553 /nfs/dbraw/zinc/06/45/53/701064553.db2.gz FFIMYBUCGXIGBZ-CVEARBPZSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025684 701064555 /nfs/dbraw/zinc/06/45/55/701064555.db2.gz FFIMYBUCGXIGBZ-CVEARBPZSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025684 701064557 /nfs/dbraw/zinc/06/45/57/701064557.db2.gz FFIMYBUCGXIGBZ-CVEARBPZSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025684 701064558 /nfs/dbraw/zinc/06/45/58/701064558.db2.gz FFIMYBUCGXIGBZ-CVEARBPZSA-N 2 2 345.491 1.535 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995116971 701071070 /nfs/dbraw/zinc/07/10/70/701071070.db2.gz NZCDZAIPYQKIOM-KGLIPLIRSA-N 2 2 343.431 1.431 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C(C)(C)C2)o1 ZINC000941031883 701073439 /nfs/dbraw/zinc/07/34/39/701073439.db2.gz CPRWXIHXPUSDJU-ZFWWWQNUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C(C)(C)C2)o1 ZINC000941031883 701073443 /nfs/dbraw/zinc/07/34/43/701073443.db2.gz CPRWXIHXPUSDJU-ZFWWWQNUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C(C)(C)C2)o1 ZINC000941031883 701073445 /nfs/dbraw/zinc/07/34/45/701073445.db2.gz CPRWXIHXPUSDJU-ZFWWWQNUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C(C)(C)C2)o1 ZINC000941031883 701073450 /nfs/dbraw/zinc/07/34/50/701073450.db2.gz CPRWXIHXPUSDJU-ZFWWWQNUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)ncn1 ZINC000945806123 701195598 /nfs/dbraw/zinc/19/55/98/701195598.db2.gz AUFCWAZROUSISN-CJNGLKHVSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)ncn1 ZINC000945806123 701195601 /nfs/dbraw/zinc/19/56/01/701195601.db2.gz AUFCWAZROUSISN-CJNGLKHVSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)o1 ZINC000941167348 701378293 /nfs/dbraw/zinc/37/82/93/701378293.db2.gz UQEAACMWEGHUDW-OAHLLOKOSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)o1 ZINC000941167348 701378294 /nfs/dbraw/zinc/37/82/94/701378294.db2.gz UQEAACMWEGHUDW-OAHLLOKOSA-N 2 2 346.475 1.796 20 0 EDADLP CCc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)o1 ZINC000995148109 701535978 /nfs/dbraw/zinc/53/59/78/701535978.db2.gz AGXONUIBDUGGKI-ZIAGYGMSSA-N 2 2 345.447 1.886 20 0 EDADLP O=C(NCC1C[NH+](Cc2cc(F)cc(F)c2)C1)C12CC[NH+](CC1)C2 ZINC001032130138 701835044 /nfs/dbraw/zinc/83/50/44/701835044.db2.gz GTWPIUVLUTVYPE-UHFFFAOYSA-N 2 2 335.398 1.609 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999191502 706634010 /nfs/dbraw/zinc/63/40/10/706634010.db2.gz YPOBWZDXAQGSCC-QLFBSQMISA-N 2 2 349.479 1.443 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999191502 706634011 /nfs/dbraw/zinc/63/40/11/706634011.db2.gz YPOBWZDXAQGSCC-QLFBSQMISA-N 2 2 349.479 1.443 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2(C)C)n1 ZINC000995791143 702084739 /nfs/dbraw/zinc/08/47/39/702084739.db2.gz CBNMJECMXDFKAW-LSDHHAIUSA-N 2 2 349.479 1.577 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2(C)C)n1 ZINC000995791143 702084746 /nfs/dbraw/zinc/08/47/46/702084746.db2.gz CBNMJECMXDFKAW-LSDHHAIUSA-N 2 2 349.479 1.577 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000995900493 702206171 /nfs/dbraw/zinc/20/61/71/702206171.db2.gz JFJVTDYTPPJCBD-JKSUJKDBSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000995900493 702206173 /nfs/dbraw/zinc/20/61/73/702206173.db2.gz JFJVTDYTPPJCBD-JKSUJKDBSA-N 2 2 334.464 1.738 20 0 EDADLP Cn1nccc1C[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001032207762 702212265 /nfs/dbraw/zinc/21/22/65/702212265.db2.gz ZQUPEILJAVMXMY-UHFFFAOYSA-N 2 2 341.459 1.344 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944100959 702214509 /nfs/dbraw/zinc/21/45/09/702214509.db2.gz UZCFOJIIZWUBIU-SWLSCSKDSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944100959 702214513 /nfs/dbraw/zinc/21/45/13/702214513.db2.gz UZCFOJIIZWUBIU-SWLSCSKDSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)s1 ZINC000944100997 702214603 /nfs/dbraw/zinc/21/46/03/702214603.db2.gz VELQGOBFZBLVRH-BLLLJJGKSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)s1 ZINC000944100997 702214605 /nfs/dbraw/zinc/21/46/05/702214605.db2.gz VELQGOBFZBLVRH-BLLLJJGKSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000995189261 702227513 /nfs/dbraw/zinc/22/75/13/702227513.db2.gz ZZFDNVQHAQHHKC-HOTGVXAUSA-N 2 2 334.464 1.562 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097359 702261803 /nfs/dbraw/zinc/26/18/03/702261803.db2.gz HBCYCRRKCQFQFW-LRDDRELGSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097359 702261806 /nfs/dbraw/zinc/26/18/06/702261806.db2.gz HBCYCRRKCQFQFW-LRDDRELGSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995913873 702273549 /nfs/dbraw/zinc/27/35/49/702273549.db2.gz BXWRKOSRWRIJBI-DOMZBBRYSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995913873 702273552 /nfs/dbraw/zinc/27/35/52/702273552.db2.gz BXWRKOSRWRIJBI-DOMZBBRYSA-N 2 2 349.479 1.750 20 0 EDADLP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1)[NH+](C)C ZINC000995944390 702290229 /nfs/dbraw/zinc/29/02/29/702290229.db2.gz BQKFZUPKIBTMSN-NEPJUHHUSA-N 2 2 325.482 1.205 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1[NH2+]CCF ZINC000996090188 702499429 /nfs/dbraw/zinc/49/94/29/702499429.db2.gz KTOVKZSTHSUUMB-HOTGVXAUSA-N 2 2 341.471 1.283 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1[NH2+]CCF ZINC000996090188 702499434 /nfs/dbraw/zinc/49/94/34/702499434.db2.gz KTOVKZSTHSUUMB-HOTGVXAUSA-N 2 2 341.471 1.283 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032666203 706679790 /nfs/dbraw/zinc/67/97/90/706679790.db2.gz ZOYRRSXWGRJLCQ-XIRDDKMYSA-N 2 2 343.475 1.555 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032666203 706679793 /nfs/dbraw/zinc/67/97/93/706679793.db2.gz ZOYRRSXWGRJLCQ-XIRDDKMYSA-N 2 2 343.475 1.555 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996105272 702565497 /nfs/dbraw/zinc/56/54/97/702565497.db2.gz HTMHXROYXDEDHR-OAHLLOKOSA-N 2 2 344.463 1.516 20 0 EDADLP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3csnn3)C(C)(C)C2)CC1 ZINC000996248760 702651328 /nfs/dbraw/zinc/65/13/28/702651328.db2.gz OIOVIGQJKWWKOJ-AWEZNQCLSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H](CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1)n1cc[nH+]c1 ZINC000996364688 702724926 /nfs/dbraw/zinc/72/49/26/702724926.db2.gz OOXMAYMYIKYPLC-GDBMZVCRSA-N 2 2 344.463 1.595 20 0 EDADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1(C)C ZINC000996506436 702827192 /nfs/dbraw/zinc/82/71/92/702827192.db2.gz LPVGYZWFKDZWEP-CZUORRHYSA-N 2 2 343.431 1.088 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]C[C@H]2CCCCO2)C(C)(C)C1 ZINC000996515321 702851015 /nfs/dbraw/zinc/85/10/15/702851015.db2.gz QKGVUEXGMBTOLK-CVEARBPZSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC2(C)C)on1 ZINC000996561143 702875173 /nfs/dbraw/zinc/87/51/73/702875173.db2.gz HWQWUZBZMIGCRW-HNNXBMFYSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996608671 702912034 /nfs/dbraw/zinc/91/20/34/702912034.db2.gz DJDPNJUJEVOXTQ-TZMCWYRMSA-N 2 2 335.452 1.361 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996611288 702916527 /nfs/dbraw/zinc/91/65/27/702916527.db2.gz LVKKJULKWGLKMK-AWEZNQCLSA-N 2 2 349.479 1.445 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CCO1 ZINC000996650319 702940403 /nfs/dbraw/zinc/94/04/03/702940403.db2.gz HUMKPLDKVVMPBD-LSDHHAIUSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CCO1 ZINC000996650319 702940404 /nfs/dbraw/zinc/94/04/04/702940404.db2.gz HUMKPLDKVVMPBD-LSDHHAIUSA-N 2 2 334.464 1.738 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995250129 702962665 /nfs/dbraw/zinc/96/26/65/702962665.db2.gz NHCOZORHFJJSEL-UONOGXRCSA-N 2 2 346.435 1.293 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC000995253063 702972311 /nfs/dbraw/zinc/97/23/11/702972311.db2.gz SJXFSFFXFLTRPO-KBPBESRZSA-N 2 2 346.435 1.464 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)o1 ZINC000996683047 702981268 /nfs/dbraw/zinc/98/12/68/702981268.db2.gz DHWHCXQBIWPCHD-HUUCEWRRSA-N 2 2 329.404 1.590 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995256753 703006048 /nfs/dbraw/zinc/00/60/48/703006048.db2.gz ZYYWEIPBVSAFGI-GJZGRUSLSA-N 2 2 343.431 1.361 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)c(C)n1 ZINC000996712061 703006745 /nfs/dbraw/zinc/00/67/45/703006745.db2.gz FBXAKOUMYNODBD-QGZVFWFLSA-N 2 2 341.459 1.922 20 0 EDADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996712514 703007568 /nfs/dbraw/zinc/00/75/68/703007568.db2.gz FRDCGYSGLKTXLZ-CYBMUJFWSA-N 2 2 349.460 1.375 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000996727595 703022431 /nfs/dbraw/zinc/02/24/31/703022431.db2.gz HKHUZGYZKBTGFJ-HNNXBMFYSA-N 2 2 349.479 1.587 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000996727595 703022433 /nfs/dbraw/zinc/02/24/33/703022433.db2.gz HKHUZGYZKBTGFJ-HNNXBMFYSA-N 2 2 349.479 1.587 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996740089 703035297 /nfs/dbraw/zinc/03/52/97/703035297.db2.gz SBNXAPRCCAIXTA-MRXNPFEDSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)o1 ZINC000996760138 703048399 /nfs/dbraw/zinc/04/83/99/703048399.db2.gz SPTIXZXKGKPPCA-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C(c1ccn2c[nH+]cc2c1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996770772 703065720 /nfs/dbraw/zinc/06/57/20/703065720.db2.gz YABSNYQLKAQRFG-UHFFFAOYSA-N 2 2 342.428 1.580 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942556178 703070312 /nfs/dbraw/zinc/07/03/12/703070312.db2.gz WLTMVIWZUBHVRO-ZFWWWQNUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2nc(C)c(C)o2)CC1 ZINC000996799530 703085399 /nfs/dbraw/zinc/08/53/99/703085399.db2.gz UZMRQUTYFPGYBD-UHFFFAOYSA-N 2 2 331.420 1.577 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccccc2)C1 ZINC001032331943 703113391 /nfs/dbraw/zinc/11/33/91/703113391.db2.gz NBOTUVSZOKPXHG-GBESFXJTSA-N 2 2 343.471 1.235 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCc2ccccc2)C1 ZINC001032331943 703113395 /nfs/dbraw/zinc/11/33/95/703113395.db2.gz NBOTUVSZOKPXHG-GBESFXJTSA-N 2 2 343.471 1.235 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCc2ccccc2)C1 ZINC001032331943 703113397 /nfs/dbraw/zinc/11/33/97/703113397.db2.gz NBOTUVSZOKPXHG-GBESFXJTSA-N 2 2 343.471 1.235 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CCC2)C1 ZINC000996857438 703141853 /nfs/dbraw/zinc/14/18/53/703141853.db2.gz LVNXWZOKXNUQPR-JSGCOSHPSA-N 2 2 344.381 1.979 20 0 EDADLP Cc1nonc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996981459 703236639 /nfs/dbraw/zinc/23/66/39/703236639.db2.gz VPYRMPLNUXTZIC-WBMJQRKESA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996981459 703236641 /nfs/dbraw/zinc/23/66/41/703236641.db2.gz VPYRMPLNUXTZIC-WBMJQRKESA-N 2 2 335.452 1.189 20 0 EDADLP CCn1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000996976345 703241603 /nfs/dbraw/zinc/24/16/03/703241603.db2.gz CNVSSLJGGKUCAC-PBHICJAKSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC000996976345 703241605 /nfs/dbraw/zinc/24/16/05/703241605.db2.gz CNVSSLJGGKUCAC-PBHICJAKSA-N 2 2 348.495 1.109 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996987667 703245209 /nfs/dbraw/zinc/24/52/09/703245209.db2.gz GKLOKMYUHUZMFN-AWEZNQCLSA-N 2 2 343.431 1.907 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)on1 ZINC001032043659 703250791 /nfs/dbraw/zinc/25/07/91/703250791.db2.gz LHEMLQJISWECTL-RDJZCZTQSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)on1 ZINC001032043659 703250793 /nfs/dbraw/zinc/25/07/93/703250793.db2.gz LHEMLQJISWECTL-RDJZCZTQSA-N 2 2 332.448 1.548 20 0 EDADLP C[C@@H]1C[N@H+](CCF)CC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000942839333 703353064 /nfs/dbraw/zinc/35/30/64/703353064.db2.gz SCBBZYQZEGPKRL-HIFRSBDPSA-N 2 2 338.427 1.680 20 0 EDADLP C[C@@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000942839333 703353065 /nfs/dbraw/zinc/35/30/65/703353065.db2.gz SCBBZYQZEGPKRL-HIFRSBDPSA-N 2 2 338.427 1.680 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000997179397 703463475 /nfs/dbraw/zinc/46/34/75/703463475.db2.gz JNPATHBRCCYVDK-UHFFFAOYSA-N 2 2 333.461 1.508 20 0 EDADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997178260 703464596 /nfs/dbraw/zinc/46/45/96/703464596.db2.gz RRJNZPZCENGWIV-QWHCGFSZSA-N 2 2 330.432 1.774 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000997178686 703465512 /nfs/dbraw/zinc/46/55/12/703465512.db2.gz FHVMGDFWGVSHKL-UHFFFAOYSA-N 2 2 330.407 1.883 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC[NH+](CCCO)CC1 ZINC000997185610 703474521 /nfs/dbraw/zinc/47/45/21/703474521.db2.gz HSOOITBZCOPJTP-GDBMZVCRSA-N 2 2 334.464 1.045 20 0 EDADLP CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2)OC ZINC001032414548 703474543 /nfs/dbraw/zinc/47/45/43/703474543.db2.gz CZQAYPQVKYBDIR-YESZJQIVSA-N 2 2 346.475 1.472 20 0 EDADLP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2)OC ZINC001032414548 703474544 /nfs/dbraw/zinc/47/45/44/703474544.db2.gz CZQAYPQVKYBDIR-YESZJQIVSA-N 2 2 346.475 1.472 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2nnc(C(C)C)[nH]2)CC1 ZINC000997210382 703509892 /nfs/dbraw/zinc/50/98/92/703509892.db2.gz IYEAGHTYYRCFRJ-UHFFFAOYSA-N 2 2 345.451 1.283 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2cncc(C)c2)CC1 ZINC000997211083 703510115 /nfs/dbraw/zinc/51/01/15/703510115.db2.gz MJUWFOXQWMBDAI-UHFFFAOYSA-N 2 2 327.432 1.745 20 0 EDADLP CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000997278560 703536820 /nfs/dbraw/zinc/53/68/20/703536820.db2.gz GANFUPOGDRANMS-QAPCUYQASA-N 2 2 337.508 1.866 20 0 EDADLP CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000997278560 703536821 /nfs/dbraw/zinc/53/68/21/703536821.db2.gz GANFUPOGDRANMS-QAPCUYQASA-N 2 2 337.508 1.866 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997261941 703540467 /nfs/dbraw/zinc/54/04/67/703540467.db2.gz YMYHACBBMFOTOI-XJKCOSOUSA-N 2 2 348.495 1.485 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997261941 703540468 /nfs/dbraw/zinc/54/04/68/703540468.db2.gz YMYHACBBMFOTOI-XJKCOSOUSA-N 2 2 348.495 1.485 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1)C1CC1 ZINC001032446341 703615254 /nfs/dbraw/zinc/61/52/54/703615254.db2.gz ZNEBSFIXUHGOQT-LNLFQRSKSA-N 2 2 343.471 1.691 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1)C1CC1 ZINC001032446341 703615255 /nfs/dbraw/zinc/61/52/55/703615255.db2.gz ZNEBSFIXUHGOQT-LNLFQRSKSA-N 2 2 343.471 1.691 20 0 EDADLP Cc1noc(CCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001032460412 703641514 /nfs/dbraw/zinc/64/15/14/703641514.db2.gz LVXVZPBAMRBVGO-ZOBUZTSGSA-N 2 2 349.479 1.182 20 0 EDADLP Cc1noc(CCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001032460412 703641516 /nfs/dbraw/zinc/64/15/16/703641516.db2.gz LVXVZPBAMRBVGO-ZOBUZTSGSA-N 2 2 349.479 1.182 20 0 EDADLP CCCc1nc(C)c(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000997412546 703668219 /nfs/dbraw/zinc/66/82/19/703668219.db2.gz DAEDDVNZYBUOEM-UHFFFAOYSA-N 2 2 345.447 1.913 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccccc1 ZINC001032480297 703721341 /nfs/dbraw/zinc/72/13/41/703721341.db2.gz WJNUNPUTUSUECU-LNLFQRSKSA-N 2 2 343.471 1.835 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccccc1 ZINC001032480297 703721342 /nfs/dbraw/zinc/72/13/42/703721342.db2.gz WJNUNPUTUSUECU-LNLFQRSKSA-N 2 2 343.471 1.835 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1 ZINC001032480297 703721345 /nfs/dbraw/zinc/72/13/45/703721345.db2.gz WJNUNPUTUSUECU-LNLFQRSKSA-N 2 2 343.471 1.835 20 0 EDADLP Cc1nonc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997517175 703766952 /nfs/dbraw/zinc/76/69/52/703766952.db2.gz VPYRMPLNUXTZIC-BLLLJJGKSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997517175 703766953 /nfs/dbraw/zinc/76/69/53/703766953.db2.gz VPYRMPLNUXTZIC-BLLLJJGKSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)[nH+]1 ZINC000997561225 703832452 /nfs/dbraw/zinc/83/24/52/703832452.db2.gz NETVVHHMAWCRRL-GDBMZVCRSA-N 2 2 344.459 1.288 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)[nH+]1 ZINC000997561225 703832453 /nfs/dbraw/zinc/83/24/53/703832453.db2.gz NETVVHHMAWCRRL-GDBMZVCRSA-N 2 2 344.459 1.288 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997613608 703913375 /nfs/dbraw/zinc/91/33/75/703913375.db2.gz KXXXGSONEONWNN-YOEHRIQHSA-N 2 2 349.479 1.661 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997613608 703913376 /nfs/dbraw/zinc/91/33/76/703913376.db2.gz KXXXGSONEONWNN-YOEHRIQHSA-N 2 2 349.479 1.661 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC[NH+](CCCO)CC1 ZINC000997648380 703964034 /nfs/dbraw/zinc/96/40/34/703964034.db2.gz HSOOITBZCOPJTP-GOEBONIOSA-N 2 2 334.464 1.045 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C(C)(C)C1 ZINC000995554293 703969037 /nfs/dbraw/zinc/96/90/37/703969037.db2.gz VFIJQVHVHXNFQR-ZIAGYGMSSA-N 2 2 347.463 1.368 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C(C)(C)C1 ZINC000995554293 703969039 /nfs/dbraw/zinc/96/90/39/703969039.db2.gz VFIJQVHVHXNFQR-ZIAGYGMSSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CC[N@H+](C[C@H]4CCOC4)C3)ccn12 ZINC001033078779 704130321 /nfs/dbraw/zinc/13/03/21/704130321.db2.gz QVRGOUKYTVZDKY-NVXWUHKLSA-N 2 2 342.443 1.826 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H]3CC[N@@H+](C[C@H]4CCOC4)C3)ccn12 ZINC001033078779 704130324 /nfs/dbraw/zinc/13/03/24/704130324.db2.gz QVRGOUKYTVZDKY-NVXWUHKLSA-N 2 2 342.443 1.826 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033079548 704131694 /nfs/dbraw/zinc/13/16/94/704131694.db2.gz ZMTWNLHOMATZAR-GOEBONIOSA-N 2 2 330.432 1.824 20 0 EDADLP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033079548 704131696 /nfs/dbraw/zinc/13/16/96/704131696.db2.gz ZMTWNLHOMATZAR-GOEBONIOSA-N 2 2 330.432 1.824 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033091102 704165567 /nfs/dbraw/zinc/16/55/67/704165567.db2.gz GWFUZFXFACBSLJ-BPQIPLTHSA-N 2 2 347.507 1.837 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033091102 704165568 /nfs/dbraw/zinc/16/55/68/704165568.db2.gz GWFUZFXFACBSLJ-BPQIPLTHSA-N 2 2 347.507 1.837 20 0 EDADLP CC(C)n1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033091102 704165569 /nfs/dbraw/zinc/16/55/69/704165569.db2.gz GWFUZFXFACBSLJ-BPQIPLTHSA-N 2 2 347.507 1.837 20 0 EDADLP CC(C)n1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033091102 704165570 /nfs/dbraw/zinc/16/55/70/704165570.db2.gz GWFUZFXFACBSLJ-BPQIPLTHSA-N 2 2 347.507 1.837 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000997739309 704636806 /nfs/dbraw/zinc/63/68/06/704636806.db2.gz VEDATQWDRGSPKR-APWZRJJASA-N 2 2 346.475 1.597 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC(C[NH2+]C[C@H]3CCOC3)CC2)c[nH+]1 ZINC000997861636 704772042 /nfs/dbraw/zinc/77/20/42/704772042.db2.gz YUPRNURKLSVANC-QGZVFWFLSA-N 2 2 348.491 1.791 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnn(C)c2)C1 ZINC001032582401 705019908 /nfs/dbraw/zinc/01/99/08/705019908.db2.gz WYCTVWDVABOBCK-SQNIBIBYSA-N 2 2 345.491 1.327 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cnn(C)c2)C1 ZINC001032582401 705019915 /nfs/dbraw/zinc/01/99/15/705019915.db2.gz WYCTVWDVABOBCK-SQNIBIBYSA-N 2 2 345.491 1.327 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnn(C)c2)C1 ZINC001032582401 705019920 /nfs/dbraw/zinc/01/99/20/705019920.db2.gz WYCTVWDVABOBCK-SQNIBIBYSA-N 2 2 345.491 1.327 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnn(C)c2)C1 ZINC001032582401 705019925 /nfs/dbraw/zinc/01/99/25/705019925.db2.gz WYCTVWDVABOBCK-SQNIBIBYSA-N 2 2 345.491 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000997951518 705071053 /nfs/dbraw/zinc/07/10/53/705071053.db2.gz YJJASLIMSAAKOJ-CVEARBPZSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000997951518 705071059 /nfs/dbraw/zinc/07/10/59/705071059.db2.gz YJJASLIMSAAKOJ-CVEARBPZSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000997951518 705071065 /nfs/dbraw/zinc/07/10/65/705071065.db2.gz YJJASLIMSAAKOJ-CVEARBPZSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000997951518 705071069 /nfs/dbraw/zinc/07/10/69/705071069.db2.gz YJJASLIMSAAKOJ-CVEARBPZSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998047023 705242955 /nfs/dbraw/zinc/24/29/55/705242955.db2.gz POLXJDQJYHGSFB-OAHLLOKOSA-N 2 2 330.432 1.872 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998047023 705242962 /nfs/dbraw/zinc/24/29/62/705242962.db2.gz POLXJDQJYHGSFB-OAHLLOKOSA-N 2 2 330.432 1.872 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000998119589 705371705 /nfs/dbraw/zinc/37/17/05/705371705.db2.gz NALHXTWUEPIJTB-UHFFFAOYSA-N 2 2 326.391 1.826 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)o1 ZINC001032602923 705407160 /nfs/dbraw/zinc/40/71/60/705407160.db2.gz HSVPCULSPVIPIY-HOTGVXAUSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)o1 ZINC001032602923 705407164 /nfs/dbraw/zinc/40/71/64/705407164.db2.gz HSVPCULSPVIPIY-HOTGVXAUSA-N 2 2 346.475 1.672 20 0 EDADLP Cn1ccc(C[NH2+]CC2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)n1 ZINC000998224127 705553102 /nfs/dbraw/zinc/55/31/02/705553102.db2.gz YALDFKWGETZMST-UHFFFAOYSA-N 2 2 344.463 1.449 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000998245489 705588948 /nfs/dbraw/zinc/58/89/48/705588948.db2.gz VHLVTFIMNNXWJU-RHSMWYFYSA-N 2 2 348.491 1.904 20 0 EDADLP CCc1cnc(C[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000998244247 705590122 /nfs/dbraw/zinc/59/01/22/705590122.db2.gz JNBHVKOWNMSFDE-UHFFFAOYSA-N 2 2 345.447 1.839 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c(C)s1 ZINC000998296369 705698662 /nfs/dbraw/zinc/69/86/62/705698662.db2.gz GMYBKZWKFSAEGO-UHFFFAOYSA-N 2 2 347.488 1.985 20 0 EDADLP CCc1nc(C)c(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000998298384 705701823 /nfs/dbraw/zinc/70/18/23/705701823.db2.gz WZPPDRNXAHEHFD-UHFFFAOYSA-N 2 2 345.447 1.770 20 0 EDADLP CCCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000998559139 705995486 /nfs/dbraw/zinc/99/54/86/705995486.db2.gz ZSEOMZDYACJQFX-NRXISQOPSA-N 2 2 349.479 1.585 20 0 EDADLP CCCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000998559139 705995487 /nfs/dbraw/zinc/99/54/87/705995487.db2.gz ZSEOMZDYACJQFX-NRXISQOPSA-N 2 2 349.479 1.585 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000998725719 706160375 /nfs/dbraw/zinc/16/03/75/706160375.db2.gz XOOOOXDHLASRSN-ZIAGYGMSSA-N 2 2 348.495 1.277 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000998725719 706160378 /nfs/dbraw/zinc/16/03/78/706160378.db2.gz XOOOOXDHLASRSN-ZIAGYGMSSA-N 2 2 348.495 1.277 20 0 EDADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000998806170 706234653 /nfs/dbraw/zinc/23/46/53/706234653.db2.gz SSWIJDAHWADCRU-HPUBIQBYSA-N 2 2 346.475 1.377 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000998935552 706375778 /nfs/dbraw/zinc/37/57/78/706375778.db2.gz LOWSDYCKLQYYTR-QDIHITRGSA-N 2 2 342.447 1.334 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000998935552 706375781 /nfs/dbraw/zinc/37/57/81/706375781.db2.gz LOWSDYCKLQYYTR-QDIHITRGSA-N 2 2 342.447 1.334 20 0 EDADLP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999006880 706426202 /nfs/dbraw/zinc/42/62/02/706426202.db2.gz HUGHGWNICQZZSG-NFOMZHRRSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)no1 ZINC000999003061 706442569 /nfs/dbraw/zinc/44/25/69/706442569.db2.gz CGKDEDAJWVMENY-HLIUYOAVSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]([NH2+]C[C@@H]4CCOC4)C3)ccn12 ZINC000999153375 706582990 /nfs/dbraw/zinc/58/29/90/706582990.db2.gz OUIGBTGODJNYED-DOTOQJQBSA-N 2 2 342.443 1.873 20 0 EDADLP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)CCC1 ZINC000999350647 706863214 /nfs/dbraw/zinc/86/32/14/706863214.db2.gz ZQWNCPJBZHGFNR-CQSZACIVSA-N 2 2 347.463 1.512 20 0 EDADLP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999372056 706886448 /nfs/dbraw/zinc/88/64/48/706886448.db2.gz NVVJIJDCFNJDJK-DZGCQCFKSA-N 2 2 344.419 1.233 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)[nH]1 ZINC000999372550 706887095 /nfs/dbraw/zinc/88/70/95/706887095.db2.gz CFYSNGPLGGTJCV-JSGCOSHPSA-N 2 2 334.468 1.239 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)[nH]1 ZINC000999372550 706887097 /nfs/dbraw/zinc/88/70/97/706887097.db2.gz CFYSNGPLGGTJCV-JSGCOSHPSA-N 2 2 334.468 1.239 20 0 EDADLP Cc1nc([C@H](C)[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)no1 ZINC000999409204 706918793 /nfs/dbraw/zinc/91/87/93/706918793.db2.gz PKCQGPHUTMFFCS-GRTSSRMGSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1nc([C@H](C)[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)no1 ZINC000999409204 706918795 /nfs/dbraw/zinc/91/87/95/706918795.db2.gz PKCQGPHUTMFFCS-GRTSSRMGSA-N 2 2 349.479 1.750 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999497968 706995975 /nfs/dbraw/zinc/99/59/75/706995975.db2.gz TZTHDTMWTKRDBJ-KRWDZBQOSA-N 2 2 347.459 1.640 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC000999511956 707010491 /nfs/dbraw/zinc/01/04/91/707010491.db2.gz NTDXMDOSBNCBKU-HOCLYGCPSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC000999511956 707010492 /nfs/dbraw/zinc/01/04/92/707010492.db2.gz NTDXMDOSBNCBKU-HOCLYGCPSA-N 2 2 334.464 1.802 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999564439 707035050 /nfs/dbraw/zinc/03/50/50/707035050.db2.gz YGTITUCBPHDXGW-ZDUSSCGKSA-N 2 2 347.419 1.427 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946694297 707148878 /nfs/dbraw/zinc/14/88/78/707148878.db2.gz QUBHSAJGGRBRPD-IYBDPMFKSA-N 2 2 336.455 1.883 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946694297 707148883 /nfs/dbraw/zinc/14/88/83/707148883.db2.gz QUBHSAJGGRBRPD-IYBDPMFKSA-N 2 2 336.455 1.883 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]CCc2ccns2)C1 ZINC000999687758 707241390 /nfs/dbraw/zinc/24/13/90/707241390.db2.gz JFIUJBUKDYPQST-UHFFFAOYSA-N 2 2 333.461 1.241 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033265947 707291071 /nfs/dbraw/zinc/29/10/71/707291071.db2.gz LGIYGEBKMZYNCT-OAHLLOKOSA-N 2 2 345.447 1.783 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033265947 707291074 /nfs/dbraw/zinc/29/10/74/707291074.db2.gz LGIYGEBKMZYNCT-OAHLLOKOSA-N 2 2 345.447 1.783 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1)c1cnccn1 ZINC000999773127 707331674 /nfs/dbraw/zinc/33/16/74/707331674.db2.gz BWGGTNNOBHRPGX-GJZGRUSLSA-N 2 2 342.447 1.485 20 0 EDADLP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000999748635 707349927 /nfs/dbraw/zinc/34/99/27/707349927.db2.gz ZPNXCQQNUBUBAR-UHFFFAOYSA-N 2 2 333.461 1.805 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999799805 707370568 /nfs/dbraw/zinc/37/05/68/707370568.db2.gz LXEQFZVXJGUHIL-QZTJIDSGSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999799805 707370573 /nfs/dbraw/zinc/37/05/73/707370573.db2.gz LXEQFZVXJGUHIL-QZTJIDSGSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)c[nH+]1 ZINC001033190441 707391054 /nfs/dbraw/zinc/39/10/54/707391054.db2.gz HSOXPRBLQKTENM-HZPDHXFCSA-N 2 2 334.464 1.496 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)c[nH+]1 ZINC001033190441 707391058 /nfs/dbraw/zinc/39/10/58/707391058.db2.gz HSOXPRBLQKTENM-HZPDHXFCSA-N 2 2 334.464 1.496 20 0 EDADLP C[C@@H]([NH2+]Cc1ncnn1C)[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004846328 707434512 /nfs/dbraw/zinc/43/45/12/707434512.db2.gz KEWWDHZAQJBLAK-KGLIPLIRSA-N 2 2 345.451 1.030 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044821705 707617051 /nfs/dbraw/zinc/61/70/51/707617051.db2.gz ZABCBTUXDQEBRL-ZBFHGGJFSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206657 707636529 /nfs/dbraw/zinc/63/65/29/707636529.db2.gz HXYXNGVYEXIXLS-HUUCEWRRSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206657 707636536 /nfs/dbraw/zinc/63/65/36/707636536.db2.gz HXYXNGVYEXIXLS-HUUCEWRRSA-N 2 2 343.431 1.475 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033365431 707658776 /nfs/dbraw/zinc/65/87/76/707658776.db2.gz NOKCIFMOTSSVBR-RTBURBONSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033365431 707658780 /nfs/dbraw/zinc/65/87/80/707658780.db2.gz NOKCIFMOTSSVBR-RTBURBONSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033365431 707658784 /nfs/dbraw/zinc/65/87/84/707658784.db2.gz NOKCIFMOTSSVBR-RTBURBONSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033365431 707658787 /nfs/dbraw/zinc/65/87/87/707658787.db2.gz NOKCIFMOTSSVBR-RTBURBONSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033211091 707672014 /nfs/dbraw/zinc/67/20/14/707672014.db2.gz HQPKONVQHDACBU-WMZOPIPTSA-N 2 2 339.443 1.573 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033211091 707672016 /nfs/dbraw/zinc/67/20/16/707672016.db2.gz HQPKONVQHDACBU-WMZOPIPTSA-N 2 2 339.443 1.573 20 0 EDADLP Cc1conc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033358078 707678078 /nfs/dbraw/zinc/67/80/78/707678078.db2.gz GJBAHOQURYPNSN-HRCADAONSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1conc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033358078 707678081 /nfs/dbraw/zinc/67/80/81/707678081.db2.gz GJBAHOQURYPNSN-HRCADAONSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358078 707678083 /nfs/dbraw/zinc/67/80/83/707678083.db2.gz GJBAHOQURYPNSN-HRCADAONSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358078 707678085 /nfs/dbraw/zinc/67/80/85/707678085.db2.gz GJBAHOQURYPNSN-HRCADAONSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004950531 707729197 /nfs/dbraw/zinc/72/91/97/707729197.db2.gz BYCHROKPNUVLEP-SWLSCSKDSA-N 2 2 331.420 1.808 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)c(C)o1 ZINC001033397422 707736999 /nfs/dbraw/zinc/73/69/99/707736999.db2.gz SIDWCBUINWYSHN-MRXNPFEDSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)c(C)o1 ZINC001033397422 707737001 /nfs/dbraw/zinc/73/70/01/707737001.db2.gz SIDWCBUINWYSHN-MRXNPFEDSA-N 2 2 334.464 1.666 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032732105 707737038 /nfs/dbraw/zinc/73/70/38/707737038.db2.gz WIFAFEAJDHFMFC-JYJNAYRXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032732105 707737042 /nfs/dbraw/zinc/73/70/42/707737042.db2.gz WIFAFEAJDHFMFC-JYJNAYRXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1onc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032732105 707737046 /nfs/dbraw/zinc/73/70/46/707737046.db2.gz WIFAFEAJDHFMFC-JYJNAYRXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1onc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032732105 707737050 /nfs/dbraw/zinc/73/70/50/707737050.db2.gz WIFAFEAJDHFMFC-JYJNAYRXSA-N 2 2 346.475 1.672 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033397579 707738076 /nfs/dbraw/zinc/73/80/76/707738076.db2.gz TXNQPLGIMAZBTL-DOMZBBRYSA-N 2 2 335.452 1.314 20 0 EDADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033397579 707738080 /nfs/dbraw/zinc/73/80/80/707738080.db2.gz TXNQPLGIMAZBTL-DOMZBBRYSA-N 2 2 335.452 1.314 20 0 EDADLP Cc1nccnc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004956993 707752371 /nfs/dbraw/zinc/75/23/71/707752371.db2.gz SSWANXPQNWMNMC-RHSMWYFYSA-N 2 2 342.447 1.610 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418884 707804021 /nfs/dbraw/zinc/80/40/21/707804021.db2.gz FQQGNLPDPZTWQC-GDBMZVCRSA-N 2 2 346.475 1.927 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418884 707804022 /nfs/dbraw/zinc/80/40/22/707804022.db2.gz FQQGNLPDPZTWQC-GDBMZVCRSA-N 2 2 346.475 1.927 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418884 707804025 /nfs/dbraw/zinc/80/40/25/707804025.db2.gz FQQGNLPDPZTWQC-GDBMZVCRSA-N 2 2 346.475 1.927 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418884 707804026 /nfs/dbraw/zinc/80/40/26/707804026.db2.gz FQQGNLPDPZTWQC-GDBMZVCRSA-N 2 2 346.475 1.927 20 0 EDADLP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033229810 707885940 /nfs/dbraw/zinc/88/59/40/707885940.db2.gz FCPOYOXGAUJOKT-INIZCTEOSA-N 2 2 338.415 1.414 20 0 EDADLP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033229810 707885944 /nfs/dbraw/zinc/88/59/44/707885944.db2.gz FCPOYOXGAUJOKT-INIZCTEOSA-N 2 2 338.415 1.414 20 0 EDADLP CC1([NH+]2CCC2)CCC(NS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000921715288 707891837 /nfs/dbraw/zinc/89/18/37/707891837.db2.gz DCXYEPPKOSHKRX-UHFFFAOYSA-N 2 2 326.466 1.210 20 0 EDADLP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000921716078 707896289 /nfs/dbraw/zinc/89/62/89/707896289.db2.gz HHSSDSAXYGYWJO-UHOFOFEASA-N 2 2 338.402 1.713 20 0 EDADLP C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000921716078 707896292 /nfs/dbraw/zinc/89/62/92/707896292.db2.gz HHSSDSAXYGYWJO-UHOFOFEASA-N 2 2 338.402 1.713 20 0 EDADLP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000921716078 707896294 /nfs/dbraw/zinc/89/62/94/707896294.db2.gz HHSSDSAXYGYWJO-UHOFOFEASA-N 2 2 338.402 1.713 20 0 EDADLP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000921716078 707896295 /nfs/dbraw/zinc/89/62/95/707896295.db2.gz HHSSDSAXYGYWJO-UHOFOFEASA-N 2 2 338.402 1.713 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044748292 707901840 /nfs/dbraw/zinc/90/18/40/707901840.db2.gz CWYDXQIEICYNHO-RISCZKNCSA-N 2 2 331.420 1.726 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC001033457895 707908659 /nfs/dbraw/zinc/90/86/59/707908659.db2.gz MBTDUCOIJXOZEO-YOEHRIQHSA-N 2 2 346.406 1.358 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC001033457895 707908660 /nfs/dbraw/zinc/90/86/60/707908660.db2.gz MBTDUCOIJXOZEO-YOEHRIQHSA-N 2 2 346.406 1.358 20 0 EDADLP C[C@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005007464 707917673 /nfs/dbraw/zinc/91/76/73/707917673.db2.gz DNQGUENJCZVMEB-GJZGRUSLSA-N 2 2 330.436 1.176 20 0 EDADLP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)o1 ZINC001005007741 707922303 /nfs/dbraw/zinc/92/23/03/707922303.db2.gz FKZQVHGCNAWKQX-CJNGLKHVSA-N 2 2 331.420 1.739 20 0 EDADLP C[C@@H]([NH2+]Cc1nccs1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005009774 707927016 /nfs/dbraw/zinc/92/70/16/707927016.db2.gz OHPLMEIZOVRECJ-KGLIPLIRSA-N 2 2 333.461 1.899 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc[nH+]1 ZINC001060926928 707931592 /nfs/dbraw/zinc/93/15/92/707931592.db2.gz GBTLUUPBGPGJHE-GOEBONIOSA-N 2 2 329.448 1.387 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033476192 707937193 /nfs/dbraw/zinc/93/71/93/707937193.db2.gz XPSPBIBUZOGAIW-AEFFLSMTSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033476192 707937195 /nfs/dbraw/zinc/93/71/95/707937195.db2.gz XPSPBIBUZOGAIW-AEFFLSMTSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033476192 707937197 /nfs/dbraw/zinc/93/71/97/707937197.db2.gz XPSPBIBUZOGAIW-AEFFLSMTSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033476192 707937199 /nfs/dbraw/zinc/93/71/99/707937199.db2.gz XPSPBIBUZOGAIW-AEFFLSMTSA-N 2 2 347.507 1.716 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2F)C1 ZINC001032781176 707966728 /nfs/dbraw/zinc/96/67/28/707966728.db2.gz LKFJMQOVYVZYFV-JYJNAYRXSA-N 2 2 347.434 1.441 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2F)C1 ZINC001032781176 707966730 /nfs/dbraw/zinc/96/67/30/707966730.db2.gz LKFJMQOVYVZYFV-JYJNAYRXSA-N 2 2 347.434 1.441 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2ccccc2F)C1 ZINC001032781176 707966732 /nfs/dbraw/zinc/96/67/32/707966732.db2.gz LKFJMQOVYVZYFV-JYJNAYRXSA-N 2 2 347.434 1.441 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOc2ccccc2F)C1 ZINC001032781176 707966734 /nfs/dbraw/zinc/96/67/34/707966734.db2.gz LKFJMQOVYVZYFV-JYJNAYRXSA-N 2 2 347.434 1.441 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(F)(F)F ZINC001032784724 707986255 /nfs/dbraw/zinc/98/62/55/707986255.db2.gz HCYQJNCRTMUOFZ-RDBSUJKOSA-N 2 2 349.397 1.192 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(F)(F)F ZINC001032784724 707986260 /nfs/dbraw/zinc/98/62/60/707986260.db2.gz HCYQJNCRTMUOFZ-RDBSUJKOSA-N 2 2 349.397 1.192 20 0 EDADLP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553481 708218404 /nfs/dbraw/zinc/21/84/04/708218404.db2.gz DAEDKZSQAIRJEA-ZBFHGGJFSA-N 2 2 343.431 1.449 20 0 EDADLP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553481 708218407 /nfs/dbraw/zinc/21/84/07/708218407.db2.gz DAEDKZSQAIRJEA-ZBFHGGJFSA-N 2 2 343.431 1.449 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033593026 708291870 /nfs/dbraw/zinc/29/18/70/708291870.db2.gz FFQAUPHCZWAGMM-WBVHZDCISA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033593026 708291874 /nfs/dbraw/zinc/29/18/74/708291874.db2.gz FFQAUPHCZWAGMM-WBVHZDCISA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033593026 708291877 /nfs/dbraw/zinc/29/18/77/708291877.db2.gz FFQAUPHCZWAGMM-WBVHZDCISA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033593026 708291880 /nfs/dbraw/zinc/29/18/80/708291880.db2.gz FFQAUPHCZWAGMM-WBVHZDCISA-N 2 2 333.480 1.278 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001033666257 708450859 /nfs/dbraw/zinc/45/08/59/708450859.db2.gz VKKIPTRGVXHKQU-CJNGLKHVSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001033666257 708450861 /nfs/dbraw/zinc/45/08/61/708450861.db2.gz VKKIPTRGVXHKQU-CJNGLKHVSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC001033666257 708450863 /nfs/dbraw/zinc/45/08/63/708450863.db2.gz VKKIPTRGVXHKQU-CJNGLKHVSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC001033666257 708450865 /nfs/dbraw/zinc/45/08/65/708450865.db2.gz VKKIPTRGVXHKQU-CJNGLKHVSA-N 2 2 337.414 1.949 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033686790 708501464 /nfs/dbraw/zinc/50/14/64/708501464.db2.gz SVHCFHKJQDDKKV-RDJZCZTQSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033686790 708501467 /nfs/dbraw/zinc/50/14/67/708501467.db2.gz SVHCFHKJQDDKKV-RDJZCZTQSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001033686790 708501469 /nfs/dbraw/zinc/50/14/69/708501469.db2.gz SVHCFHKJQDDKKV-RDJZCZTQSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033686790 708501472 /nfs/dbraw/zinc/50/14/72/708501472.db2.gz SVHCFHKJQDDKKV-RDJZCZTQSA-N 2 2 348.495 1.205 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033687045 708502409 /nfs/dbraw/zinc/50/24/09/708502409.db2.gz WRGVIHSRIHHTEX-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033687045 708502412 /nfs/dbraw/zinc/50/24/12/708502412.db2.gz WRGVIHSRIHHTEX-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033687045 708502413 /nfs/dbraw/zinc/50/24/13/708502413.db2.gz WRGVIHSRIHHTEX-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033687045 708502416 /nfs/dbraw/zinc/50/24/16/708502416.db2.gz WRGVIHSRIHHTEX-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033778348 708706635 /nfs/dbraw/zinc/70/66/35/708706635.db2.gz ZSVMDDGZYGVHPU-IRXDYDNUSA-N 2 2 333.480 1.246 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033778348 708706637 /nfs/dbraw/zinc/70/66/37/708706637.db2.gz ZSVMDDGZYGVHPU-IRXDYDNUSA-N 2 2 333.480 1.246 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033778348 708706638 /nfs/dbraw/zinc/70/66/38/708706638.db2.gz ZSVMDDGZYGVHPU-IRXDYDNUSA-N 2 2 333.480 1.246 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033778348 708706640 /nfs/dbraw/zinc/70/66/40/708706640.db2.gz ZSVMDDGZYGVHPU-IRXDYDNUSA-N 2 2 333.480 1.246 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033830997 708853039 /nfs/dbraw/zinc/85/30/39/708853039.db2.gz RKWMQVCMMLTBPZ-IAGOWNOFSA-N 2 2 345.491 1.185 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033830997 708853044 /nfs/dbraw/zinc/85/30/44/708853044.db2.gz RKWMQVCMMLTBPZ-IAGOWNOFSA-N 2 2 345.491 1.185 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033834683 708861983 /nfs/dbraw/zinc/86/19/83/708861983.db2.gz SQGSLUWSXDKPFE-RBSFLKMASA-N 2 2 336.505 1.906 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033834683 708861985 /nfs/dbraw/zinc/86/19/85/708861985.db2.gz SQGSLUWSXDKPFE-RBSFLKMASA-N 2 2 336.505 1.906 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nccs2)C1 ZINC001033834683 708861988 /nfs/dbraw/zinc/86/19/88/708861988.db2.gz SQGSLUWSXDKPFE-RBSFLKMASA-N 2 2 336.505 1.906 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nccs2)C1 ZINC001033834683 708861990 /nfs/dbraw/zinc/86/19/90/708861990.db2.gz SQGSLUWSXDKPFE-RBSFLKMASA-N 2 2 336.505 1.906 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC001005398629 708882599 /nfs/dbraw/zinc/88/25/99/708882599.db2.gz PIAJPUXSNWJEHO-SFHVURJKSA-N 2 2 346.475 1.748 20 0 EDADLP COC[C@H](C)[NH+]1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001005424505 708942839 /nfs/dbraw/zinc/94/28/39/708942839.db2.gz KRFQHQUVTJMRTA-HNNXBMFYSA-N 2 2 348.491 1.720 20 0 EDADLP Cc1nc(N[C@@H]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc[nH+]1 ZINC001061093905 709012483 /nfs/dbraw/zinc/01/24/83/709012483.db2.gz BVEPYPJBLSGLND-CABCVRRESA-N 2 2 329.448 1.720 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1CC[NH+](CCCO)CC1 ZINC001002845860 709456789 /nfs/dbraw/zinc/45/67/89/709456789.db2.gz TYEFWLVEAVUMBQ-NVXWUHKLSA-N 2 2 346.475 1.117 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)CC[N@@H+]1C ZINC001002860216 709468486 /nfs/dbraw/zinc/46/84/86/709468486.db2.gz JBNGKQXXUPRFEH-RDTXWAMCSA-N 2 2 345.491 1.250 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)CC[N@H+]1C ZINC001002860216 709468488 /nfs/dbraw/zinc/46/84/88/709468488.db2.gz JBNGKQXXUPRFEH-RDTXWAMCSA-N 2 2 345.491 1.250 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034261132 709648968 /nfs/dbraw/zinc/64/89/68/709648968.db2.gz UDNWVQMSENHUHZ-HOTGVXAUSA-N 2 2 336.480 1.932 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034261132 709648970 /nfs/dbraw/zinc/64/89/70/709648970.db2.gz UDNWVQMSENHUHZ-HOTGVXAUSA-N 2 2 336.480 1.932 20 0 EDADLP CC[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269174 709673205 /nfs/dbraw/zinc/67/32/05/709673205.db2.gz AOJOPEHPACTPCB-CZUORRHYSA-N 2 2 343.431 1.411 20 0 EDADLP CC[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269174 709673207 /nfs/dbraw/zinc/67/32/07/709673207.db2.gz AOJOPEHPACTPCB-CZUORRHYSA-N 2 2 343.431 1.411 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2cnc(C)cn2)C1 ZINC001034310461 709753476 /nfs/dbraw/zinc/75/34/76/709753476.db2.gz YHAOBGNDAABZPW-INIZCTEOSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001034310461 709753479 /nfs/dbraw/zinc/75/34/79/709753479.db2.gz YHAOBGNDAABZPW-INIZCTEOSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034399300 709941989 /nfs/dbraw/zinc/94/19/89/709941989.db2.gz SCFVPCKOQWJDRV-HOCLYGCPSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001034399300 709941992 /nfs/dbraw/zinc/94/19/92/709941992.db2.gz SCFVPCKOQWJDRV-HOCLYGCPSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034399300 709941995 /nfs/dbraw/zinc/94/19/95/709941995.db2.gz SCFVPCKOQWJDRV-HOCLYGCPSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001034399300 709941998 /nfs/dbraw/zinc/94/19/98/709941998.db2.gz SCFVPCKOQWJDRV-HOCLYGCPSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nonc1C[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432603 710002475 /nfs/dbraw/zinc/00/24/75/710002475.db2.gz WEXZHYVRWQJMMN-INIZCTEOSA-N 2 2 349.479 1.581 20 0 EDADLP Cc1nonc1C[N@@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432603 710002477 /nfs/dbraw/zinc/00/24/77/710002477.db2.gz WEXZHYVRWQJMMN-INIZCTEOSA-N 2 2 349.479 1.581 20 0 EDADLP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474751 710080324 /nfs/dbraw/zinc/08/03/24/710080324.db2.gz YTMVKVYVYKULAX-GJZGRUSLSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034474751 710080329 /nfs/dbraw/zinc/08/03/29/710080329.db2.gz YTMVKVYVYKULAX-GJZGRUSLSA-N 2 2 343.431 1.232 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001003205912 710115928 /nfs/dbraw/zinc/11/59/28/710115928.db2.gz FJKSADKBKNUAOJ-GXTWGEPZSA-N 2 2 334.464 1.439 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001003205912 710115930 /nfs/dbraw/zinc/11/59/30/710115930.db2.gz FJKSADKBKNUAOJ-GXTWGEPZSA-N 2 2 334.464 1.439 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034483755 710127712 /nfs/dbraw/zinc/12/77/12/710127712.db2.gz FNTKNLDVTJKWPJ-DOTOQJQBSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034483755 710127716 /nfs/dbraw/zinc/12/77/16/710127716.db2.gz FNTKNLDVTJKWPJ-DOTOQJQBSA-N 2 2 348.491 1.748 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCCO2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001003193927 710128488 /nfs/dbraw/zinc/12/84/88/710128488.db2.gz PTYOGKNBPGERIB-CRAIPNDOSA-N 2 2 346.475 1.595 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC001034529315 710183753 /nfs/dbraw/zinc/18/37/53/710183753.db2.gz YHPXPVQREFHDTK-AWEZNQCLSA-N 2 2 336.436 1.250 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC001034529315 710183756 /nfs/dbraw/zinc/18/37/56/710183756.db2.gz YHPXPVQREFHDTK-AWEZNQCLSA-N 2 2 336.436 1.250 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](Cc2nccnc2C)C1 ZINC001034529750 710185787 /nfs/dbraw/zinc/18/57/87/710185787.db2.gz MSFPKXIMGGJLLX-INIZCTEOSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2nccnc2C)C1 ZINC001034529750 710185790 /nfs/dbraw/zinc/18/57/90/710185790.db2.gz MSFPKXIMGGJLLX-INIZCTEOSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547248 710221300 /nfs/dbraw/zinc/22/13/00/710221300.db2.gz NVANZSLYIHPUBC-KRWDZBQOSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547248 710221303 /nfs/dbraw/zinc/22/13/03/710221303.db2.gz NVANZSLYIHPUBC-KRWDZBQOSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)o1 ZINC001003375371 710293420 /nfs/dbraw/zinc/29/34/20/710293420.db2.gz NLQYIUAVOGKZIT-SFHVURJKSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003420583 710335111 /nfs/dbraw/zinc/33/51/11/710335111.db2.gz USJYQTSRHIUXSO-UHFFFAOYSA-N 2 2 335.452 1.333 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+](Cc2cnns2)CC1)[NH+]1CCCC1 ZINC001003424986 710340088 /nfs/dbraw/zinc/34/00/88/710340088.db2.gz YEJZZYKQFNUZNA-UHFFFAOYSA-N 2 2 337.493 1.493 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1C ZINC000425367749 710375978 /nfs/dbraw/zinc/37/59/78/710375978.db2.gz ISVUBYBRLLGHMU-RDJZCZTQSA-N 2 2 328.464 1.664 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1C ZINC000425367749 710375981 /nfs/dbraw/zinc/37/59/81/710375981.db2.gz ISVUBYBRLLGHMU-RDJZCZTQSA-N 2 2 328.464 1.664 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001003627929 710457737 /nfs/dbraw/zinc/45/77/37/710457737.db2.gz JYCYQGYXDKJWSH-OAHLLOKOSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001003627929 710457738 /nfs/dbraw/zinc/45/77/38/710457738.db2.gz JYCYQGYXDKJWSH-OAHLLOKOSA-N 2 2 333.480 1.468 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001003627863 710457837 /nfs/dbraw/zinc/45/78/37/710457837.db2.gz IYGKBHSIYKNQFB-ZIAGYGMSSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001003627863 710457838 /nfs/dbraw/zinc/45/78/38/710457838.db2.gz IYGKBHSIYKNQFB-ZIAGYGMSSA-N 2 2 349.479 1.758 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001003637205 710466824 /nfs/dbraw/zinc/46/68/24/710466824.db2.gz ZGXOUIRWDXRSND-KBXCAEBGSA-N 2 2 345.491 1.108 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001003637205 710466826 /nfs/dbraw/zinc/46/68/26/710466826.db2.gz ZGXOUIRWDXRSND-KBXCAEBGSA-N 2 2 345.491 1.108 20 0 EDADLP CCn1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC001005590560 710645560 /nfs/dbraw/zinc/64/55/60/710645560.db2.gz APMFQCQRXYEDHQ-KRWDZBQOSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)nn1 ZINC001005590560 710645564 /nfs/dbraw/zinc/64/55/64/710645564.db2.gz APMFQCQRXYEDHQ-KRWDZBQOSA-N 2 2 348.495 1.205 20 0 EDADLP Cc1nnc(C[NH+]2CCC(N(C)C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC001005662583 710875273 /nfs/dbraw/zinc/87/52/73/710875273.db2.gz HSDDEKBOSLMIHM-UHFFFAOYSA-N 2 2 347.463 1.429 20 0 EDADLP Cc1noc(C[NH+]2CCC(N(C)C(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC001005663149 710891878 /nfs/dbraw/zinc/89/18/78/710891878.db2.gz SFDFSGJAVBKIOW-UHFFFAOYSA-N 2 2 347.463 1.429 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001032945921 710925528 /nfs/dbraw/zinc/92/55/28/710925528.db2.gz RDVLYFQJWWDHRE-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001032945921 710925533 /nfs/dbraw/zinc/92/55/33/710925533.db2.gz RDVLYFQJWWDHRE-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001032945921 710925535 /nfs/dbraw/zinc/92/55/35/710925535.db2.gz RDVLYFQJWWDHRE-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001032945921 710925545 /nfs/dbraw/zinc/92/55/45/710925545.db2.gz RDVLYFQJWWDHRE-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001034731305 710928979 /nfs/dbraw/zinc/92/89/79/710928979.db2.gz LZKIRDAWPZYSHN-FPCVCCKLSA-N 2 2 346.475 1.883 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960360 710969613 /nfs/dbraw/zinc/96/96/13/710969613.db2.gz REYLEWQVWPGWLZ-SJORKVTESA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960360 710969616 /nfs/dbraw/zinc/96/96/16/710969616.db2.gz REYLEWQVWPGWLZ-SJORKVTESA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960360 710969617 /nfs/dbraw/zinc/96/96/17/710969617.db2.gz REYLEWQVWPGWLZ-SJORKVTESA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960360 710969621 /nfs/dbraw/zinc/96/96/21/710969621.db2.gz REYLEWQVWPGWLZ-SJORKVTESA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC[NH+](CCF)CC1 ZINC001005691021 710998741 /nfs/dbraw/zinc/99/87/41/710998741.db2.gz LWXOXMOXGRVTHW-UHFFFAOYSA-N 2 2 331.395 1.773 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC001032971886 711035346 /nfs/dbraw/zinc/03/53/46/711035346.db2.gz ANONKNMHXOHIOB-ZWKOTPCHSA-N 2 2 349.450 1.519 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC001032971886 711035349 /nfs/dbraw/zinc/03/53/49/711035349.db2.gz ANONKNMHXOHIOB-ZWKOTPCHSA-N 2 2 349.450 1.519 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC001032971886 711035352 /nfs/dbraw/zinc/03/53/52/711035352.db2.gz ANONKNMHXOHIOB-ZWKOTPCHSA-N 2 2 349.450 1.519 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC001032971886 711035354 /nfs/dbraw/zinc/03/53/54/711035354.db2.gz ANONKNMHXOHIOB-ZWKOTPCHSA-N 2 2 349.450 1.519 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034786271 711090151 /nfs/dbraw/zinc/09/01/51/711090151.db2.gz KWTJIDKCAJKASP-WKILWMFISA-N 2 2 334.464 1.704 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC001032977838 711095717 /nfs/dbraw/zinc/09/57/17/711095717.db2.gz VEKRAFLGJAPLMI-HJYXSIQESA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001032977838 711095718 /nfs/dbraw/zinc/09/57/18/711095718.db2.gz VEKRAFLGJAPLMI-HJYXSIQESA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC001032977838 711095720 /nfs/dbraw/zinc/09/57/20/711095720.db2.gz VEKRAFLGJAPLMI-HJYXSIQESA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC001032977838 711095721 /nfs/dbraw/zinc/09/57/21/711095721.db2.gz VEKRAFLGJAPLMI-HJYXSIQESA-N 2 2 343.471 1.563 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001004054776 711378329 /nfs/dbraw/zinc/37/83/29/711378329.db2.gz AUPHMCAPPJCSAB-UHFFFAOYSA-N 2 2 342.443 1.920 20 0 EDADLP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC001004148369 711561344 /nfs/dbraw/zinc/56/13/44/711561344.db2.gz RIGZPVLVXDCXSJ-UHFFFAOYSA-N 2 2 336.867 1.911 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033126107 711867094 /nfs/dbraw/zinc/86/70/94/711867094.db2.gz JZZPIKAIJNEEAL-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033126107 711867096 /nfs/dbraw/zinc/86/70/96/711867096.db2.gz JZZPIKAIJNEEAL-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033126107 711867099 /nfs/dbraw/zinc/86/70/99/711867099.db2.gz JZZPIKAIJNEEAL-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033126107 711867101 /nfs/dbraw/zinc/86/71/01/711867101.db2.gz JZZPIKAIJNEEAL-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033126388 711889691 /nfs/dbraw/zinc/88/96/91/711889691.db2.gz MNLWTNPWILFLMJ-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033126388 711889692 /nfs/dbraw/zinc/88/96/92/711889692.db2.gz MNLWTNPWILFLMJ-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033126388 711889693 /nfs/dbraw/zinc/88/96/93/711889693.db2.gz MNLWTNPWILFLMJ-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033126388 711889694 /nfs/dbraw/zinc/88/96/94/711889694.db2.gz MNLWTNPWILFLMJ-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@H+](CCF)C1 ZINC001033143085 711951483 /nfs/dbraw/zinc/95/14/83/711951483.db2.gz WRPSISKRDHMWLH-CVEARBPZSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033143085 711951485 /nfs/dbraw/zinc/95/14/85/711951485.db2.gz WRPSISKRDHMWLH-CVEARBPZSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@@H]1CC[NH+](CCF)C1 ZINC001033143085 711951487 /nfs/dbraw/zinc/95/14/87/711951487.db2.gz WRPSISKRDHMWLH-CVEARBPZSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@@H]1CC[NH+](CCF)C1 ZINC001033143085 711951489 /nfs/dbraw/zinc/95/14/89/711951489.db2.gz WRPSISKRDHMWLH-CVEARBPZSA-N 2 2 327.444 1.132 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000557627405 306231126 /nfs/dbraw/zinc/23/11/26/306231126.db2.gz ZLMABMIJKJFLLW-MRXNPFEDSA-N 2 2 332.448 1.016 20 0 EDADLP COC[C@@H](C)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761664 214104286 /nfs/dbraw/zinc/10/42/86/214104286.db2.gz LCBWAUSCBUCNCE-CQSZACIVSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1nnc([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)[nH]1 ZINC000557667267 306232617 /nfs/dbraw/zinc/23/26/17/306232617.db2.gz XSAHPXWNSSNMLS-GOSISDBHSA-N 2 2 341.459 1.935 20 0 EDADLP Cc1nnc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)[nH]1 ZINC000557667267 306232618 /nfs/dbraw/zinc/23/26/18/306232618.db2.gz XSAHPXWNSSNMLS-GOSISDBHSA-N 2 2 341.459 1.935 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC1([NH3+])CCC1)c1c(F)cccc1F ZINC000417659332 282175031 /nfs/dbraw/zinc/17/50/31/282175031.db2.gz LBXGQHQDVQTHDH-ZDUSSCGKSA-N 2 2 326.391 1.748 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+](C)C ZINC000363225538 282226408 /nfs/dbraw/zinc/22/64/08/282226408.db2.gz MBBYJWJTQBFTQN-WBVHZDCISA-N 2 2 327.432 1.837 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000173962013 529930077 /nfs/dbraw/zinc/93/00/77/529930077.db2.gz ZNXIVFBUWJZUGP-BZSNNMDCSA-N 2 2 337.508 1.963 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000173962013 529930078 /nfs/dbraw/zinc/93/00/78/529930078.db2.gz ZNXIVFBUWJZUGP-BZSNNMDCSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000173962013 529930080 /nfs/dbraw/zinc/93/00/80/529930080.db2.gz ZNXIVFBUWJZUGP-BZSNNMDCSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000173962013 529930081 /nfs/dbraw/zinc/93/00/81/529930081.db2.gz ZNXIVFBUWJZUGP-BZSNNMDCSA-N 2 2 337.508 1.963 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435531037 539566213 /nfs/dbraw/zinc/56/62/13/539566213.db2.gz IYGRZAJYHRPRAF-WKULXVSPSA-N 2 2 325.497 1.015 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435531037 539566216 /nfs/dbraw/zinc/56/62/16/539566216.db2.gz IYGRZAJYHRPRAF-WKULXVSPSA-N 2 2 325.497 1.015 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435531037 539566219 /nfs/dbraw/zinc/56/62/19/539566219.db2.gz IYGRZAJYHRPRAF-WKULXVSPSA-N 2 2 325.497 1.015 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435531037 539566221 /nfs/dbraw/zinc/56/62/21/539566221.db2.gz IYGRZAJYHRPRAF-WKULXVSPSA-N 2 2 325.497 1.015 20 0 EDADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000560972327 306281407 /nfs/dbraw/zinc/28/14/07/306281407.db2.gz KOXBSXUGNHITDB-INIZCTEOSA-N 2 2 332.448 1.781 20 0 EDADLP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000417521293 299167864 /nfs/dbraw/zinc/16/78/64/299167864.db2.gz PCNXWSBWNAGJQV-BQFCYCMXSA-N 2 2 348.491 1.875 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069249051 215373574 /nfs/dbraw/zinc/37/35/74/215373574.db2.gz MDFWZVUJSSDWBB-INIZCTEOSA-N 2 2 331.526 1.514 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000069249051 215373577 /nfs/dbraw/zinc/37/35/77/215373577.db2.gz MDFWZVUJSSDWBB-INIZCTEOSA-N 2 2 331.526 1.514 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000346143793 539848157 /nfs/dbraw/zinc/84/81/57/539848157.db2.gz XEUPVLXYUIHAAU-INIZCTEOSA-N 2 2 333.476 1.979 20 0 EDADLP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000562699739 306305970 /nfs/dbraw/zinc/30/59/70/306305970.db2.gz MGQJMKAAODZTIZ-UHFFFAOYSA-N 2 2 343.431 1.606 20 0 EDADLP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000562699739 306305971 /nfs/dbraw/zinc/30/59/71/306305971.db2.gz MGQJMKAAODZTIZ-UHFFFAOYSA-N 2 2 343.431 1.606 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H](CCO)C2CCCCC2)C[C@H](C)O1 ZINC000355007748 539952331 /nfs/dbraw/zinc/95/23/31/539952331.db2.gz RUWZZKPXRAPFKT-ATLSCFEFSA-N 2 2 328.497 1.377 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H](CCO)C2CCCCC2)C[C@H](C)O1 ZINC000355007748 539952334 /nfs/dbraw/zinc/95/23/34/539952334.db2.gz RUWZZKPXRAPFKT-ATLSCFEFSA-N 2 2 328.497 1.377 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353835563 295883823 /nfs/dbraw/zinc/88/38/23/295883823.db2.gz MSPZZALXWOEAFR-INIZCTEOSA-N 3 2 339.528 1.186 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC000341296881 283026255 /nfs/dbraw/zinc/02/62/55/283026255.db2.gz HUDJQAQULBXVGN-CVEARBPZSA-N 2 2 338.496 1.364 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC000341296881 283026256 /nfs/dbraw/zinc/02/62/56/283026256.db2.gz HUDJQAQULBXVGN-CVEARBPZSA-N 2 2 338.496 1.364 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000412853590 304042085 /nfs/dbraw/zinc/04/20/85/304042085.db2.gz YWEAWHRSSYHQIR-SFHVURJKSA-N 2 2 330.476 1.258 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000412853590 304042086 /nfs/dbraw/zinc/04/20/86/304042086.db2.gz YWEAWHRSSYHQIR-SFHVURJKSA-N 2 2 330.476 1.258 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171100493 540092137 /nfs/dbraw/zinc/09/21/37/540092137.db2.gz CSQQKBMGEWZGHZ-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000291165084 540090835 /nfs/dbraw/zinc/09/08/35/540090835.db2.gz IIXQYBZMANVYCT-KRWDZBQOSA-N 2 2 328.416 1.234 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000376264043 291064789 /nfs/dbraw/zinc/06/47/89/291064789.db2.gz FCARDHNKKKWHMR-GOEBONIOSA-N 2 2 347.463 1.152 20 0 EDADLP C[NH+]1CCN([C@@H](CNC(=O)CC(F)(F)C[NH3+])c2cccs2)CC1 ZINC000563337806 306328126 /nfs/dbraw/zinc/32/81/26/306328126.db2.gz BXMGATJOAOCKGL-LBPRGKRZSA-N 2 2 346.447 1.137 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)NCCCn2cc[nH+]c2)c1 ZINC000042897124 138109377 /nfs/dbraw/zinc/10/93/77/138109377.db2.gz KDMQHKRXKOKVPX-UHFFFAOYSA-N 2 2 345.447 1.713 20 0 EDADLP Cc1cn2cc(NC(=O)NC(C)(C)C[NH+]3CCOCC3)ccc2[nH+]1 ZINC000563521253 306336789 /nfs/dbraw/zinc/33/67/89/306336789.db2.gz ALEQAHXOXDSFQR-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP C[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000413365086 304057798 /nfs/dbraw/zinc/05/77/98/304057798.db2.gz ULSFSUDUZPPUJA-AWEZNQCLSA-N 2 2 328.501 1.373 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000563549825 306338559 /nfs/dbraw/zinc/33/85/59/306338559.db2.gz GFXIDCWBBMXBMK-OAHLLOKOSA-N 2 2 338.883 1.902 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000563549825 306338560 /nfs/dbraw/zinc/33/85/60/306338560.db2.gz GFXIDCWBBMXBMK-OAHLLOKOSA-N 2 2 338.883 1.902 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CC[NH2+][C@@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000563551222 306338593 /nfs/dbraw/zinc/33/85/93/306338593.db2.gz JRYDLFGIUOQHDG-FUHWJXTLSA-N 2 2 346.475 1.372 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000090659532 138280300 /nfs/dbraw/zinc/28/03/00/138280300.db2.gz JYTSZHSIQIEWJA-SJORKVTESA-N 2 2 347.463 1.483 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000090659532 138280301 /nfs/dbraw/zinc/28/03/01/138280301.db2.gz JYTSZHSIQIEWJA-SJORKVTESA-N 2 2 347.463 1.483 20 0 EDADLP CCc1nn(C)c(CC)c1C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000093046346 138291316 /nfs/dbraw/zinc/29/13/16/138291316.db2.gz NIEBHOZTAPBTQR-UHFFFAOYSA-N 2 2 349.523 1.531 20 0 EDADLP COc1ccccc1CC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120945581 138316674 /nfs/dbraw/zinc/31/66/74/138316674.db2.gz BEMRXGZFLKAUBV-UHFFFAOYSA-N 2 2 345.487 1.724 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC1 ZINC000120959777 138316738 /nfs/dbraw/zinc/31/67/38/138316738.db2.gz BEKZPVXQAPLRKT-MRXNPFEDSA-N 2 2 345.443 1.369 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC1 ZINC000120959777 138316739 /nfs/dbraw/zinc/31/67/39/138316739.db2.gz BEKZPVXQAPLRKT-MRXNPFEDSA-N 2 2 345.443 1.369 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413400840 304060284 /nfs/dbraw/zinc/06/02/84/304060284.db2.gz MNMLOYNMPDNLQV-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2ccc(Cl)c(F)c2)[C@@H](C[NH3+])C1 ZINC000563606053 306341462 /nfs/dbraw/zinc/34/14/62/306341462.db2.gz QCSKKYUXCPZAIR-NSHDSACASA-N 2 2 344.818 1.142 20 0 EDADLP C[N@@H+]1CCN(c2ncnc3cc(Br)ccc32)[C@H](C[NH3+])C1 ZINC000563647804 306343737 /nfs/dbraw/zinc/34/37/37/306343737.db2.gz YBLHJGBYBYRMHZ-LLVKDONJSA-N 2 2 336.237 1.471 20 0 EDADLP C[N@H+]1CCN(c2ncnc3cc(Br)ccc32)[C@H](C[NH3+])C1 ZINC000563647804 306343738 /nfs/dbraw/zinc/34/37/38/306343738.db2.gz YBLHJGBYBYRMHZ-LLVKDONJSA-N 2 2 336.237 1.471 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000563683117 306344914 /nfs/dbraw/zinc/34/49/14/306344914.db2.gz OQCRXJVAKIIQHK-HNNXBMFYSA-N 2 2 349.479 1.016 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000563683117 306344915 /nfs/dbraw/zinc/34/49/15/306344915.db2.gz OQCRXJVAKIIQHK-HNNXBMFYSA-N 2 2 349.479 1.016 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000331904291 535361146 /nfs/dbraw/zinc/36/11/46/535361146.db2.gz WSDMGUYLZRTPAF-DOTOQJQBSA-N 2 2 346.475 1.797 20 0 EDADLP COc1ccc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000563809481 306348004 /nfs/dbraw/zinc/34/80/04/306348004.db2.gz AQWKFFVNMKUTSR-ZDUSSCGKSA-N 2 2 325.840 1.383 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000447454792 305280477 /nfs/dbraw/zinc/28/04/77/305280477.db2.gz YIUQKAQMWMJHSZ-NSHDSACASA-N 2 2 341.209 1.077 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NCC[N@@H+]3CCCOCC3)cn21 ZINC000187163135 236134313 /nfs/dbraw/zinc/13/43/13/236134313.db2.gz LHRCLDYGGYPKFL-UHFFFAOYSA-N 2 2 331.420 1.164 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NCC[N@H+]3CCCOCC3)cn21 ZINC000187163135 236134314 /nfs/dbraw/zinc/13/43/14/236134314.db2.gz LHRCLDYGGYPKFL-UHFFFAOYSA-N 2 2 331.420 1.164 20 0 EDADLP C[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[NH+]1CC(C)C1 ZINC000563829647 306349062 /nfs/dbraw/zinc/34/90/62/306349062.db2.gz JZRNJRYZLITTAU-SJORKVTESA-N 2 2 345.487 1.864 20 0 EDADLP C[C@@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[NH+]1CC(C)C1 ZINC000563829647 306349063 /nfs/dbraw/zinc/34/90/63/306349063.db2.gz JZRNJRYZLITTAU-SJORKVTESA-N 2 2 345.487 1.864 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496526946 283342180 /nfs/dbraw/zinc/34/21/80/283342180.db2.gz MTHZCCJNQZDNDX-GJZGRUSLSA-N 2 2 329.485 1.678 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496526946 283342181 /nfs/dbraw/zinc/34/21/81/283342181.db2.gz MTHZCCJNQZDNDX-GJZGRUSLSA-N 2 2 329.485 1.678 20 0 EDADLP CCn1cc[nH+]c1CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000564329479 306358762 /nfs/dbraw/zinc/35/87/62/306358762.db2.gz UOPKULRYDAHIKC-SJORKVTESA-N 3 2 331.508 1.847 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000564727023 306364063 /nfs/dbraw/zinc/36/40/63/306364063.db2.gz UUJLQWSWJCLVQG-BQFCYCMXSA-N 2 2 348.491 1.793 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+](C)C1 ZINC000413900032 304086666 /nfs/dbraw/zinc/08/66/66/304086666.db2.gz DRSBVRDJCWCRDE-OAHLLOKOSA-N 2 2 342.399 1.049 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+](C)C1 ZINC000413900032 304086667 /nfs/dbraw/zinc/08/66/67/304086667.db2.gz DRSBVRDJCWCRDE-OAHLLOKOSA-N 2 2 342.399 1.049 20 0 EDADLP CC[C@H](C)NC(=O)CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000564843768 306366644 /nfs/dbraw/zinc/36/66/44/306366644.db2.gz CDEFSRCMHSVUKV-HOTGVXAUSA-N 2 2 346.475 1.908 20 0 EDADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000564979827 306371777 /nfs/dbraw/zinc/37/17/77/306371777.db2.gz XOEYSKMHEIHJLQ-DLBZAZTESA-N 2 2 338.492 1.544 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000493897808 296021478 /nfs/dbraw/zinc/02/14/78/296021478.db2.gz RICPFZUESBFGJK-CHWSQXEVSA-N 2 2 337.468 1.780 20 0 EDADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000131343349 223224828 /nfs/dbraw/zinc/22/48/28/223224828.db2.gz HXLRGCAKHLGCKM-HNNXBMFYSA-N 2 2 344.381 1.994 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725256 216300457 /nfs/dbraw/zinc/30/04/57/216300457.db2.gz LSRDIFUMGYIUHZ-YOEHRIQHSA-N 2 2 346.475 1.919 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725256 216300461 /nfs/dbraw/zinc/30/04/61/216300461.db2.gz LSRDIFUMGYIUHZ-YOEHRIQHSA-N 2 2 346.475 1.919 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725256 216300462 /nfs/dbraw/zinc/30/04/62/216300462.db2.gz LSRDIFUMGYIUHZ-YOEHRIQHSA-N 2 2 346.475 1.919 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725256 216300465 /nfs/dbraw/zinc/30/04/65/216300465.db2.gz LSRDIFUMGYIUHZ-YOEHRIQHSA-N 2 2 346.475 1.919 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCNc2nccc(C(F)(F)F)n2)n1C ZINC000414360959 304112047 /nfs/dbraw/zinc/11/20/47/304112047.db2.gz RZZDHXRBMAZRPV-UHFFFAOYSA-N 2 2 343.357 1.497 20 0 EDADLP CCC[N@H+](C)[C@H](C[NH2+]CCC(=O)NC(N)=O)c1ccc(Cl)cc1 ZINC000566128549 306399181 /nfs/dbraw/zinc/39/91/81/306399181.db2.gz DIDFUMDKUUDBQJ-CQSZACIVSA-N 2 2 340.855 1.898 20 0 EDADLP CCC[N@@H+](C)[C@H](C[NH2+]CCC(=O)NC(N)=O)c1ccc(Cl)cc1 ZINC000566128549 306399182 /nfs/dbraw/zinc/39/91/82/306399182.db2.gz DIDFUMDKUUDBQJ-CQSZACIVSA-N 2 2 340.855 1.898 20 0 EDADLP COC(=O)[C@]1(C)CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000414558663 304122749 /nfs/dbraw/zinc/12/27/49/304122749.db2.gz NJUZNLNAPDPQTR-GOSISDBHSA-N 2 2 347.463 1.004 20 0 EDADLP COC(=O)[C@]1(C)CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000414558663 304122751 /nfs/dbraw/zinc/12/27/51/304122751.db2.gz NJUZNLNAPDPQTR-GOSISDBHSA-N 2 2 347.463 1.004 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000566249201 306406378 /nfs/dbraw/zinc/40/63/78/306406378.db2.gz NDXYYNOIPMUQRL-QGZVFWFLSA-N 2 2 344.459 1.431 20 0 EDADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000414694779 304128615 /nfs/dbraw/zinc/12/86/15/304128615.db2.gz NUFXSMMCYUFYMF-QGZVFWFLSA-N 2 2 338.540 1.769 20 0 EDADLP CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)[NH+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414770127 304138841 /nfs/dbraw/zinc/13/88/41/304138841.db2.gz XTQQJIOFYPMMEY-LXTVHRRPSA-N 2 2 326.437 1.334 20 0 EDADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415090365 304158764 /nfs/dbraw/zinc/15/87/64/304158764.db2.gz AIAGKIBRKKUGNS-WCQYABFASA-N 2 2 341.839 1.644 20 0 EDADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415093337 304159018 /nfs/dbraw/zinc/15/90/18/304159018.db2.gz HWPYXOBBINJRDU-SFHVURJKSA-N 2 2 343.427 1.747 20 0 EDADLP CCOc1cc(C[N@H+](C)CC[NH3+])ccc1OCC(=O)N1CCCCC1 ZINC000415101828 304160108 /nfs/dbraw/zinc/16/01/08/304160108.db2.gz CVUAAGCDFVIQRA-UHFFFAOYSA-N 2 2 349.475 1.867 20 0 EDADLP CCOc1cc(C[N@@H+](C)CC[NH3+])ccc1OCC(=O)N1CCCCC1 ZINC000415101828 304160109 /nfs/dbraw/zinc/16/01/09/304160109.db2.gz CVUAAGCDFVIQRA-UHFFFAOYSA-N 2 2 349.475 1.867 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000637951997 452198516 /nfs/dbraw/zinc/19/85/16/452198516.db2.gz LAIXRNSELKAXMK-JTQLQIEISA-N 2 2 326.447 1.498 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000637951997 452198524 /nfs/dbraw/zinc/19/85/24/452198524.db2.gz LAIXRNSELKAXMK-JTQLQIEISA-N 2 2 326.447 1.498 20 0 EDADLP COC(=O)[C@H](c1ccccc1F)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420336937 284305465 /nfs/dbraw/zinc/30/54/65/284305465.db2.gz QSACEKOQEYUILK-IKGGRYGDSA-N 2 2 336.407 1.868 20 0 EDADLP CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC([NH3+])C1 ZINC000415156484 304167029 /nfs/dbraw/zinc/16/70/29/304167029.db2.gz MKKPUWMSKYVEGI-UHFFFAOYSA-N 2 2 329.404 1.916 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000236979232 139036969 /nfs/dbraw/zinc/03/69/69/139036969.db2.gz SZFXIVISNKLURL-SFHVURJKSA-N 2 2 331.460 1.872 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)C[C@H]3CSCC[NH2+]3)c2)CC1 ZINC000237219529 139044828 /nfs/dbraw/zinc/04/48/28/139044828.db2.gz MXUWLGNQUBWMKQ-KRWDZBQOSA-N 2 2 348.516 1.468 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000237379585 139049680 /nfs/dbraw/zinc/04/96/80/139049680.db2.gz OAYZRFLZHDZDNE-IBGZPJMESA-N 2 2 347.459 1.348 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000079506898 217236492 /nfs/dbraw/zinc/23/64/92/217236492.db2.gz IULRSZQGSDCYFF-AWEZNQCLSA-N 2 2 336.505 1.842 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000079506898 217236493 /nfs/dbraw/zinc/23/64/93/217236493.db2.gz IULRSZQGSDCYFF-AWEZNQCLSA-N 2 2 336.505 1.842 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC3CC[NH2+]CC3)c[nH+]2)CCO1 ZINC000237440037 139051327 /nfs/dbraw/zinc/05/13/27/139051327.db2.gz SDXGLEXVGVSZHY-CQSZACIVSA-N 2 2 332.448 1.313 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000111231128 220116813 /nfs/dbraw/zinc/11/68/13/220116813.db2.gz OCVOJWGTJFOEFN-KOSHJBKYSA-N 2 2 349.544 1.896 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000111231128 220116814 /nfs/dbraw/zinc/11/68/14/220116814.db2.gz OCVOJWGTJFOEFN-KOSHJBKYSA-N 2 2 349.544 1.896 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000111231197 220116929 /nfs/dbraw/zinc/11/69/29/220116929.db2.gz ZXAVPPXTZZZKHT-OAHLLOKOSA-N 2 2 335.448 1.668 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000111231197 220116933 /nfs/dbraw/zinc/11/69/33/220116933.db2.gz ZXAVPPXTZZZKHT-OAHLLOKOSA-N 2 2 335.448 1.668 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243719 220122295 /nfs/dbraw/zinc/12/22/95/220122295.db2.gz MSDHBTWYXCZZDN-SNVBAGLBSA-N 2 2 347.341 1.297 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237606640 139055431 /nfs/dbraw/zinc/05/54/31/139055431.db2.gz ZRFRIHJGBQNUJL-QGZVFWFLSA-N 2 2 342.443 1.678 20 0 EDADLP c1ccc(N(CCC[NH+]2CCOCC2)CC[NH+]2CCOCC2)cc1 ZINC000081020070 217352626 /nfs/dbraw/zinc/35/26/26/217352626.db2.gz JIGIVEFAWXXGAR-UHFFFAOYSA-N 2 2 333.476 1.548 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000237823434 139061236 /nfs/dbraw/zinc/06/12/36/139061236.db2.gz ASVAGTRNNPVMPS-RTBURBONSA-N 2 2 339.439 1.876 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000237959338 139065067 /nfs/dbraw/zinc/06/50/67/139065067.db2.gz HRJAQTDGJIKXBQ-UHFFFAOYSA-N 2 2 345.487 1.915 20 0 EDADLP Cn1cncc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000237935333 139064295 /nfs/dbraw/zinc/06/42/95/139064295.db2.gz OYZHDLJTEPVXBY-UHFFFAOYSA-N 2 2 330.432 1.421 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000245420788 139073722 /nfs/dbraw/zinc/07/37/22/139073722.db2.gz CICZZGOTAZVUFE-CABCVRRESA-N 2 2 341.402 1.404 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000245420788 139073723 /nfs/dbraw/zinc/07/37/23/139073723.db2.gz CICZZGOTAZVUFE-CABCVRRESA-N 2 2 341.402 1.404 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)CC1 ZINC000245454719 139075595 /nfs/dbraw/zinc/07/55/95/139075595.db2.gz SCHWSKSOTDKKDG-RHSMWYFYSA-N 2 2 341.496 1.497 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)CC1 ZINC000245454719 139075596 /nfs/dbraw/zinc/07/55/96/139075596.db2.gz SCHWSKSOTDKKDG-RHSMWYFYSA-N 2 2 341.496 1.497 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[N@@H+]1C1CC1 ZINC000245521793 139077694 /nfs/dbraw/zinc/07/76/94/139077694.db2.gz UCXWVVISXGDYNJ-ILXRZTDVSA-N 2 2 329.448 1.585 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[N@H+]1C1CC1 ZINC000245521793 139077695 /nfs/dbraw/zinc/07/76/95/139077695.db2.gz UCXWVVISXGDYNJ-ILXRZTDVSA-N 2 2 329.448 1.585 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245589743 139080316 /nfs/dbraw/zinc/08/03/16/139080316.db2.gz KVTQMUWMQCAISS-YTQUADARSA-N 2 2 347.503 1.858 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245589743 139080317 /nfs/dbraw/zinc/08/03/17/139080317.db2.gz KVTQMUWMQCAISS-YTQUADARSA-N 2 2 347.503 1.858 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[NH2+]CC2)ccc1Oc1cc[nH+]cc1 ZINC000415281219 304184680 /nfs/dbraw/zinc/18/46/80/304184680.db2.gz IFJQVQQAULYPST-UHFFFAOYSA-N 2 2 340.383 1.553 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246137751 139096326 /nfs/dbraw/zinc/09/63/26/139096326.db2.gz KFENWBYZPQYLKN-OLZOCXBDSA-N 2 2 345.447 1.457 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246137751 139096327 /nfs/dbraw/zinc/09/63/27/139096327.db2.gz KFENWBYZPQYLKN-OLZOCXBDSA-N 2 2 345.447 1.457 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246137751 139096328 /nfs/dbraw/zinc/09/63/28/139096328.db2.gz KFENWBYZPQYLKN-OLZOCXBDSA-N 2 2 345.447 1.457 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246137751 139096329 /nfs/dbraw/zinc/09/63/29/139096329.db2.gz KFENWBYZPQYLKN-OLZOCXBDSA-N 2 2 345.447 1.457 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000415320418 304193966 /nfs/dbraw/zinc/19/39/66/304193966.db2.gz WDLDJBFUNGAGOA-KBPBESRZSA-N 2 2 333.436 1.476 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2(C)Cc3ccccc3C2)CC1 ZINC000092318470 218134382 /nfs/dbraw/zinc/13/43/82/218134382.db2.gz NGJCTDUUHQSMDK-UHFFFAOYSA-N 2 2 344.503 1.869 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000261704130 139219026 /nfs/dbraw/zinc/21/90/26/139219026.db2.gz BPTYMDMWKJYEIO-SUMWQHHRSA-N 2 2 328.416 1.803 20 0 EDADLP [NH3+]Cc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccn1 ZINC000261800540 139227247 /nfs/dbraw/zinc/22/72/47/139227247.db2.gz ZZXWOIKSRHWNPT-UHFFFAOYSA-N 2 2 326.400 1.625 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)CC(C)C ZINC000356280884 284814491 /nfs/dbraw/zinc/81/44/91/284814491.db2.gz NVKLVGWEESTKBU-KRWDZBQOSA-N 2 2 342.528 1.717 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3([NH3+])CCOCC3)CC2)c1 ZINC000261900789 139235199 /nfs/dbraw/zinc/23/51/99/139235199.db2.gz RRHCJZUDVWKSGP-HNNXBMFYSA-N 2 2 347.459 1.408 20 0 EDADLP [NH3+]C1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCOCC1 ZINC000261868186 139232663 /nfs/dbraw/zinc/23/26/63/139232663.db2.gz NWXMSWKFTHUWBH-UHFFFAOYSA-N 2 2 332.448 1.586 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000261874112 139233092 /nfs/dbraw/zinc/23/30/92/139233092.db2.gz PMROSHZVTRVLCX-ZHALLVOQSA-N 2 2 336.524 1.108 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000261874112 139233093 /nfs/dbraw/zinc/23/30/93/139233093.db2.gz PMROSHZVTRVLCX-ZHALLVOQSA-N 2 2 336.524 1.108 20 0 EDADLP O=C(c1ccc2c(c1)OCO2)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261950764 139239459 /nfs/dbraw/zinc/23/94/59/139239459.db2.gz NXPIUPHJQCNTSC-AWEZNQCLSA-N 2 2 331.416 1.173 20 0 EDADLP COc1ccc(CCC(=O)N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261953914 139239656 /nfs/dbraw/zinc/23/96/56/139239656.db2.gz GHYZLVPQSJUUQW-HXUWFJFHSA-N 2 2 345.487 1.772 20 0 EDADLP [NH3+]CCc1nc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000262307124 139268619 /nfs/dbraw/zinc/26/86/19/139268619.db2.gz PHQBVCDFDYQHPO-UHFFFAOYSA-N 2 2 336.486 1.664 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000417007458 251128261 /nfs/dbraw/zinc/12/82/61/251128261.db2.gz KVXBNDJHAXUXOH-WMLDXEAASA-N 2 2 334.464 1.269 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC([NH2+]CC3CC3)CC2)c[nH+]1 ZINC000417012869 251130161 /nfs/dbraw/zinc/13/01/61/251130161.db2.gz XUMAPXGWDFCNEN-UHFFFAOYSA-N 2 2 331.464 1.821 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000262317011 139269468 /nfs/dbraw/zinc/26/94/68/139269468.db2.gz UTZWDHJWRAZTFH-DLBZAZTESA-N 2 2 330.476 1.890 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N(CCC[NH3+])Cc2ccccc2)CCO1 ZINC000417425884 251167834 /nfs/dbraw/zinc/16/78/34/251167834.db2.gz MESKVOOISINHGO-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N(CCC[NH3+])Cc2ccccc2)CCO1 ZINC000417425884 251167840 /nfs/dbraw/zinc/16/78/40/251167840.db2.gz MESKVOOISINHGO-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C1C[NH2+]C1 ZINC000262389784 139275469 /nfs/dbraw/zinc/27/54/69/139275469.db2.gz OBXHZPKRXPRXHT-JSGCOSHPSA-N 2 2 337.414 1.901 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C1C[NH2+]C1 ZINC000262389784 139275470 /nfs/dbraw/zinc/27/54/70/139275470.db2.gz OBXHZPKRXPRXHT-JSGCOSHPSA-N 2 2 337.414 1.901 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)CCCC[NH3+])nc[nH+]1 ZINC000417777109 251266060 /nfs/dbraw/zinc/26/60/60/251266060.db2.gz QVMMAZNVNLCBAV-UONOGXRCSA-N 2 2 349.483 1.304 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C)CCCC[NH3+])[nH+]cn1 ZINC000417777109 251266064 /nfs/dbraw/zinc/26/60/64/251266064.db2.gz QVMMAZNVNLCBAV-UONOGXRCSA-N 2 2 349.483 1.304 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417855977 251298749 /nfs/dbraw/zinc/29/87/49/251298749.db2.gz VSAZLNASDMEZPU-NVXWUHKLSA-N 2 2 341.459 1.923 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)NCC1C[NH2+]C1 ZINC000417856348 251300966 /nfs/dbraw/zinc/30/09/66/251300966.db2.gz WBHHGHUPXNCJHF-UHFFFAOYSA-N 2 2 327.432 1.535 20 0 EDADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418345062 251361828 /nfs/dbraw/zinc/36/18/28/251361828.db2.gz BJHFTIQREYBQAU-MRXNPFEDSA-N 2 2 336.867 1.838 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1ccon1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262729518 139299424 /nfs/dbraw/zinc/29/94/24/139299424.db2.gz ARBNWWYRONHHMA-CQSZACIVSA-N 2 2 329.404 1.676 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000262736466 139300025 /nfs/dbraw/zinc/30/00/25/139300025.db2.gz CTEGPZAQVJAMES-OAHLLOKOSA-N 2 2 335.473 1.552 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000262748746 139301031 /nfs/dbraw/zinc/30/10/31/139301031.db2.gz BDTKLBYWWWWBFE-INIZCTEOSA-N 2 2 330.432 1.496 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000422868545 252005641 /nfs/dbraw/zinc/00/56/41/252005641.db2.gz VLSLIOSSXHFAJY-CEXWTWQISA-N 2 2 346.519 1.554 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422876939 252007921 /nfs/dbraw/zinc/00/79/21/252007921.db2.gz GUMHRBWJZGUKEO-TVFCKZIOSA-N 3 2 336.524 1.439 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422876939 252007923 /nfs/dbraw/zinc/00/79/23/252007923.db2.gz GUMHRBWJZGUKEO-TVFCKZIOSA-N 3 2 336.524 1.439 20 0 EDADLP c1cc(N2CCCCC2)ncc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422877746 252008009 /nfs/dbraw/zinc/00/80/09/252008009.db2.gz ISPQAYMGFZMWNK-PKOBYXMFSA-N 2 2 330.476 1.929 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422879425 252010475 /nfs/dbraw/zinc/01/04/75/252010475.db2.gz KKKMOKZYCUYYMT-YJBOKZPZSA-N 3 2 330.476 1.304 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422896278 252015645 /nfs/dbraw/zinc/01/56/45/252015645.db2.gz IBGNQWYZJRYSNP-RBUKOAKNSA-N 3 2 333.476 1.484 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)CC3(C[NH3+])CC3)CCCCCC2)no1 ZINC000423349385 252049844 /nfs/dbraw/zinc/04/98/44/252049844.db2.gz WLNIRMHNOOUZFX-UHFFFAOYSA-N 2 2 349.479 1.926 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)CCC2 ZINC000423524993 252059281 /nfs/dbraw/zinc/05/92/81/252059281.db2.gz TVFKBLHABPWGNP-KBPBESRZSA-N 2 2 335.448 1.635 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(I)cc1 ZINC000423523871 252059447 /nfs/dbraw/zinc/05/94/47/252059447.db2.gz NVGDZJAMEUWCDH-MFKMUULPSA-N 2 2 346.212 1.930 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422992457 252022946 /nfs/dbraw/zinc/02/29/46/252022946.db2.gz CMSXQGPVAXGWAG-RYUDHWBXSA-N 2 2 333.354 1.836 20 0 EDADLP C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1c[nH+]ccc1N ZINC000422994052 252023589 /nfs/dbraw/zinc/02/35/89/252023589.db2.gz GOVLEWOEUGIRFA-LLVKDONJSA-N 2 2 340.474 1.527 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423863811 252096008 /nfs/dbraw/zinc/09/60/08/252096008.db2.gz XCOCNSUIXMSCCS-KBPBESRZSA-N 2 2 327.469 1.106 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423863811 252096014 /nfs/dbraw/zinc/09/60/14/252096014.db2.gz XCOCNSUIXMSCCS-KBPBESRZSA-N 2 2 327.469 1.106 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424193347 252157805 /nfs/dbraw/zinc/15/78/05/252157805.db2.gz UHHSRXYKRZJTHF-CYBMUJFWSA-N 2 2 342.447 1.682 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC(=O)N(C)C3=O)sc2C1 ZINC000424201636 252160031 /nfs/dbraw/zinc/16/00/31/252160031.db2.gz HWBCCUYQBWSCIY-GFCCVEGCSA-N 2 2 336.461 1.147 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC(=O)N(C)C3=O)sc2C1 ZINC000424201636 252160034 /nfs/dbraw/zinc/16/00/34/252160034.db2.gz HWBCCUYQBWSCIY-GFCCVEGCSA-N 2 2 336.461 1.147 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424136742 252138780 /nfs/dbraw/zinc/13/87/80/252138780.db2.gz RISYQZIRBYGWKL-GFCCVEGCSA-N 2 2 328.420 1.268 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424277507 252189019 /nfs/dbraw/zinc/18/90/19/252189019.db2.gz AOFSDGFGVOGDNN-IAGOWNOFSA-N 2 2 337.439 1.913 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000424338199 252199018 /nfs/dbraw/zinc/19/90/18/252199018.db2.gz UCTHBKVMMPWWKN-IAGOWNOFSA-N 2 2 334.439 1.334 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000424335825 252197566 /nfs/dbraw/zinc/19/75/66/252197566.db2.gz PIFMHJJBPVHVAC-CAOSSQGBSA-N 2 2 347.459 1.533 20 0 EDADLP CC[NH+]1CCC(N(C2CC2)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000377029512 285186954 /nfs/dbraw/zinc/18/69/54/285186954.db2.gz IYZQKXGEXZJOIJ-VQIMIIECSA-N 2 2 336.524 1.645 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCCCO1 ZINC000263807059 139361778 /nfs/dbraw/zinc/36/17/78/139361778.db2.gz SFCWHRGOHLABQS-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCCCO1 ZINC000263807059 139361779 /nfs/dbraw/zinc/36/17/79/139361779.db2.gz SFCWHRGOHLABQS-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CS1 ZINC000488421674 255043638 /nfs/dbraw/zinc/04/36/38/255043638.db2.gz TUSUUMAQSXMYFX-IRXDYDNUSA-N 2 2 343.581 1.886 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cccnc1 ZINC000154435337 224253429 /nfs/dbraw/zinc/25/34/29/224253429.db2.gz LISUCNVDOZHRHS-UBLGTCEWSA-N 2 2 342.487 1.955 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cccnc1 ZINC000154435337 224253432 /nfs/dbraw/zinc/25/34/32/224253432.db2.gz LISUCNVDOZHRHS-UBLGTCEWSA-N 2 2 342.487 1.955 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000490708732 255101381 /nfs/dbraw/zinc/10/13/81/255101381.db2.gz XTSZXDFXRDCPLC-HOCLYGCPSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000490708732 255101383 /nfs/dbraw/zinc/10/13/83/255101383.db2.gz XTSZXDFXRDCPLC-HOCLYGCPSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000490708732 255101385 /nfs/dbraw/zinc/10/13/85/255101385.db2.gz XTSZXDFXRDCPLC-HOCLYGCPSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000490708732 255101387 /nfs/dbraw/zinc/10/13/87/255101387.db2.gz XTSZXDFXRDCPLC-HOCLYGCPSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C(C)C)CC2)CCO1 ZINC000492291393 255168384 /nfs/dbraw/zinc/16/83/84/255168384.db2.gz HPLXWBRXGFADGU-MRXNPFEDSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C(C)C)CC2)CCO1 ZINC000492291393 255168385 /nfs/dbraw/zinc/16/83/85/255168385.db2.gz HPLXWBRXGFADGU-MRXNPFEDSA-N 2 2 326.485 1.269 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000492541201 255178350 /nfs/dbraw/zinc/17/83/50/255178350.db2.gz WSINEPJTMWITKF-WAVCKPEOSA-N 2 2 334.464 1.876 20 0 EDADLP CC[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000495202272 255272902 /nfs/dbraw/zinc/27/29/02/255272902.db2.gz MVJTTYQDBJFMKP-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP CC[C@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000495202272 255272903 /nfs/dbraw/zinc/27/29/03/255272903.db2.gz MVJTTYQDBJFMKP-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000494720442 255259624 /nfs/dbraw/zinc/25/96/24/255259624.db2.gz XEZSNQYEUNSEHT-INIZCTEOSA-N 2 2 341.459 1.511 20 0 EDADLP CC[N@H+](CC(=O)OC(C)(C)C)C1CC(N[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000494842417 255262861 /nfs/dbraw/zinc/26/28/61/255262861.db2.gz OPJJXMHNCMCNFF-PRLABOORSA-N 2 2 325.497 1.721 20 0 EDADLP CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(N[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC000494842417 255262862 /nfs/dbraw/zinc/26/28/62/255262862.db2.gz OPJJXMHNCMCNFF-PRLABOORSA-N 2 2 325.497 1.721 20 0 EDADLP CC[NH+](CC(=O)OC(C)(C)C)C1CC(N[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000494842417 255262863 /nfs/dbraw/zinc/26/28/63/255262863.db2.gz OPJJXMHNCMCNFF-PRLABOORSA-N 2 2 325.497 1.721 20 0 EDADLP CC[NH+](CC(=O)OC(C)(C)C)C1CC(N[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000494842417 255262864 /nfs/dbraw/zinc/26/28/64/255262864.db2.gz OPJJXMHNCMCNFF-PRLABOORSA-N 2 2 325.497 1.721 20 0 EDADLP CCOC(=O)N1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000495050609 255267167 /nfs/dbraw/zinc/26/71/67/255267167.db2.gz SXXQRRSUXUHJRK-UHFFFAOYSA-N 2 2 329.404 1.850 20 0 EDADLP CC[N@H+](C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000496272721 255373432 /nfs/dbraw/zinc/37/34/32/255373432.db2.gz IHVLCZOTSNTVQK-SOUVJXGZSA-N 2 2 329.485 1.846 20 0 EDADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000496272721 255373433 /nfs/dbraw/zinc/37/34/33/255373433.db2.gz IHVLCZOTSNTVQK-SOUVJXGZSA-N 2 2 329.485 1.846 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000119285629 221285386 /nfs/dbraw/zinc/28/53/86/221285386.db2.gz NAIBWFNEPANHRK-UHFFFAOYSA-N 2 2 345.447 1.539 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000119502104 221334369 /nfs/dbraw/zinc/33/43/69/221334369.db2.gz NFPMXCIKLXSUCS-MRXNPFEDSA-N 2 2 339.443 1.866 20 0 EDADLP Cc1cc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc[nH+]1 ZINC000119745676 221391596 /nfs/dbraw/zinc/39/15/96/221391596.db2.gz JTDABTHMASATFB-UHFFFAOYSA-N 2 2 340.431 1.859 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c[nH+]1 ZINC000264257177 139390903 /nfs/dbraw/zinc/39/09/03/139390903.db2.gz LCDGLZHTIGHHHI-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP O=C(NCCn1cc[nH+]c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264276838 139392755 /nfs/dbraw/zinc/39/27/55/139392755.db2.gz XYFQBUIFABRABD-KRWDZBQOSA-N 2 2 328.416 1.197 20 0 EDADLP CN(CC[NH3+])C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415881019 304283847 /nfs/dbraw/zinc/28/38/47/304283847.db2.gz SZCIQYFJQWNBPG-UHFFFAOYSA-N 2 2 329.404 1.118 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000270832459 140178621 /nfs/dbraw/zinc/17/86/21/140178621.db2.gz DHKGFCJOMZPXFV-UHFFFAOYSA-N 2 2 339.443 1.931 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000270832459 140178623 /nfs/dbraw/zinc/17/86/23/140178623.db2.gz DHKGFCJOMZPXFV-UHFFFAOYSA-N 2 2 339.443 1.931 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000271083363 140232909 /nfs/dbraw/zinc/23/29/09/140232909.db2.gz GOLNPRPPSVSSGW-OAHLLOKOSA-N 2 2 328.416 1.457 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000271191097 140253957 /nfs/dbraw/zinc/25/39/57/140253957.db2.gz PSVSVWSLCUBCOX-UHFFFAOYSA-N 2 2 349.866 1.584 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271303267 140274404 /nfs/dbraw/zinc/27/44/04/140274404.db2.gz JAODCRYAGGRWOY-OAHLLOKOSA-N 2 2 342.447 1.882 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000271317281 140277193 /nfs/dbraw/zinc/27/71/93/140277193.db2.gz NJFIJAARBMDISP-OAHLLOKOSA-N 2 2 335.415 1.931 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000271317281 140277194 /nfs/dbraw/zinc/27/71/94/140277194.db2.gz NJFIJAARBMDISP-OAHLLOKOSA-N 2 2 335.415 1.931 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@@H+]1C[C@H](C)O ZINC000271590877 140316360 /nfs/dbraw/zinc/31/63/60/140316360.db2.gz XHNHSLSYVBTRMH-GOEBONIOSA-N 2 2 345.447 1.952 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@H+]1C[C@H](C)O ZINC000271590877 140316361 /nfs/dbraw/zinc/31/63/61/140316361.db2.gz XHNHSLSYVBTRMH-GOEBONIOSA-N 2 2 345.447 1.952 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000271797563 140351864 /nfs/dbraw/zinc/35/18/64/140351864.db2.gz KMNBWFDVQMJVDA-GOSISDBHSA-N 2 2 334.460 1.597 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000571865550 306576151 /nfs/dbraw/zinc/57/61/51/306576151.db2.gz OVUJJQVVWLXXPR-OAHLLOKOSA-N 2 2 331.464 1.469 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416310449 304308422 /nfs/dbraw/zinc/30/84/22/304308422.db2.gz NVDMEWYTXRMCMA-GJZGRUSLSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416310449 304308423 /nfs/dbraw/zinc/30/84/23/304308423.db2.gz NVDMEWYTXRMCMA-GJZGRUSLSA-N 2 2 344.459 1.512 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1=O ZINC000331754482 141077153 /nfs/dbraw/zinc/07/71/53/141077153.db2.gz BKIBYGUSUVKFLL-HRCADAONSA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1=O ZINC000331754482 141077155 /nfs/dbraw/zinc/07/71/55/141077155.db2.gz BKIBYGUSUVKFLL-HRCADAONSA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1=O ZINC000331754482 141077156 /nfs/dbraw/zinc/07/71/56/141077156.db2.gz BKIBYGUSUVKFLL-HRCADAONSA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1=O ZINC000331754482 141077157 /nfs/dbraw/zinc/07/71/57/141077157.db2.gz BKIBYGUSUVKFLL-HRCADAONSA-N 2 2 336.480 1.513 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332419661 141178936 /nfs/dbraw/zinc/17/89/36/141178936.db2.gz PKPGTRLFIZJSGL-UHFFFAOYSA-N 2 2 329.452 1.642 20 0 EDADLP CN(C)c1nc(N2CC[NH+](C[C@H](O)C3CCCCC3)CC2)cc[nH+]1 ZINC000332515929 141193991 /nfs/dbraw/zinc/19/39/91/141193991.db2.gz AEZZEIQNSDAYHB-INIZCTEOSA-N 2 2 333.480 1.606 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332655865 141224084 /nfs/dbraw/zinc/22/40/84/141224084.db2.gz NIWMYZDDWCPKPX-GUYCJALGSA-N 2 2 325.453 1.003 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332655865 141224085 /nfs/dbraw/zinc/22/40/85/141224085.db2.gz NIWMYZDDWCPKPX-GUYCJALGSA-N 2 2 325.453 1.003 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000333415464 141314446 /nfs/dbraw/zinc/31/44/46/141314446.db2.gz HFYLALYNZRBYQF-GDBMZVCRSA-N 2 2 332.448 1.520 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000333415464 141314447 /nfs/dbraw/zinc/31/44/47/141314447.db2.gz HFYLALYNZRBYQF-GDBMZVCRSA-N 2 2 332.448 1.520 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)C2)C1 ZINC000333568546 141338242 /nfs/dbraw/zinc/33/82/42/141338242.db2.gz IBZGUVVHQVCRID-MAUKXSAKSA-N 2 2 331.464 1.888 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)C2)C1 ZINC000333568546 141338244 /nfs/dbraw/zinc/33/82/44/141338244.db2.gz IBZGUVVHQVCRID-MAUKXSAKSA-N 2 2 331.464 1.888 20 0 EDADLP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000333658625 141351544 /nfs/dbraw/zinc/35/15/44/141351544.db2.gz LELNMSRRUGCIEO-CRAIPNDOSA-N 2 2 331.464 1.800 20 0 EDADLP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000333658625 141351545 /nfs/dbraw/zinc/35/15/45/141351545.db2.gz LELNMSRRUGCIEO-CRAIPNDOSA-N 2 2 331.464 1.800 20 0 EDADLP C[C@H](CC(=O)NCc1ccncc1OCCC[NH+](C)C)n1cc[nH+]c1 ZINC000572370443 306587105 /nfs/dbraw/zinc/58/71/05/306587105.db2.gz QWMCYZDGJPMZEG-OAHLLOKOSA-N 2 2 345.447 1.876 20 0 EDADLP O=C(NCCC[NH+]1CCCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000339347514 142023983 /nfs/dbraw/zinc/02/39/83/142023983.db2.gz CXOPGXNPGRVDDK-UHFFFAOYSA-N 2 2 331.464 1.395 20 0 EDADLP CO[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000339546402 142073202 /nfs/dbraw/zinc/07/32/02/142073202.db2.gz PVBOFKIYUAJWMB-MAUKXSAKSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339745711 142142486 /nfs/dbraw/zinc/14/24/86/142142486.db2.gz IXFGNKCFKGIHKI-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000339745711 142142488 /nfs/dbraw/zinc/14/24/88/142142488.db2.gz IXFGNKCFKGIHKI-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)NCc2cccc(OCC(F)(F)F)c2)CCC1 ZINC000342128118 142689324 /nfs/dbraw/zinc/68/93/24/142689324.db2.gz GCJQNEOBNDJLNY-UHFFFAOYSA-N 2 2 345.365 1.715 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)[NH+](CC)CC ZINC000345261126 143070709 /nfs/dbraw/zinc/07/07/09/143070709.db2.gz MJFKMVRFUCPYRC-KRWDZBQOSA-N 2 2 335.496 1.575 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+](CC)CC ZINC000345261126 143070710 /nfs/dbraw/zinc/07/07/10/143070710.db2.gz MJFKMVRFUCPYRC-KRWDZBQOSA-N 2 2 335.496 1.575 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1cccc(F)c1 ZINC000345699116 143122948 /nfs/dbraw/zinc/12/29/48/143122948.db2.gz TWSFYVZEWHHOML-WCQYABFASA-N 2 2 326.322 1.747 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(CN3C[C@H]4OCC[NH+](C)[C@@H]4C3)sc2C1 ZINC000346200858 143178123 /nfs/dbraw/zinc/17/81/23/143178123.db2.gz HRHBEHFKNLOMHK-HUUCEWRRSA-N 2 2 336.505 1.424 20 0 EDADLP CC(C)[N@H+]1CCc2nc(CN3C[C@H]4OCC[NH+](C)[C@@H]4C3)sc2C1 ZINC000346200858 143178124 /nfs/dbraw/zinc/17/81/24/143178124.db2.gz HRHBEHFKNLOMHK-HUUCEWRRSA-N 2 2 336.505 1.424 20 0 EDADLP CC(C)[NH+]1CCc2nc(CN3C[C@H]4OCC[N@H+](C)[C@@H]4C3)sc2C1 ZINC000346200858 143178125 /nfs/dbraw/zinc/17/81/25/143178125.db2.gz HRHBEHFKNLOMHK-HUUCEWRRSA-N 2 2 336.505 1.424 20 0 EDADLP CC(C)[NH+]1CCc2nc(CN3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)sc2C1 ZINC000346200858 143178126 /nfs/dbraw/zinc/17/81/26/143178126.db2.gz HRHBEHFKNLOMHK-HUUCEWRRSA-N 2 2 336.505 1.424 20 0 EDADLP CC(C)n1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000346584300 143219001 /nfs/dbraw/zinc/21/90/01/143219001.db2.gz WSBFAMPVUNCKER-OAHLLOKOSA-N 2 2 333.480 1.705 20 0 EDADLP CC(C)n1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000346584300 143219002 /nfs/dbraw/zinc/21/90/02/143219002.db2.gz WSBFAMPVUNCKER-OAHLLOKOSA-N 2 2 333.480 1.705 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@H+](C)Cc1cncc(F)c1 ZINC000347168491 143290319 /nfs/dbraw/zinc/29/03/19/143290319.db2.gz NHBZVLHYQDMAEW-HZPDHXFCSA-N 2 2 335.402 1.999 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)Cc1cncc(F)c1 ZINC000347168491 143290320 /nfs/dbraw/zinc/29/03/20/143290320.db2.gz NHBZVLHYQDMAEW-HZPDHXFCSA-N 2 2 335.402 1.999 20 0 EDADLP CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369738014 155156050 /nfs/dbraw/zinc/15/60/50/155156050.db2.gz JYNMFNOUSLZVHS-XIRDDKMYSA-N 2 2 338.496 1.412 20 0 EDADLP CO[C@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369738014 155156052 /nfs/dbraw/zinc/15/60/52/155156052.db2.gz JYNMFNOUSLZVHS-XIRDDKMYSA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000369852058 155204773 /nfs/dbraw/zinc/20/47/73/155204773.db2.gz OXDNMCOULUPCAO-YQQAZPJKSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000369852058 155204775 /nfs/dbraw/zinc/20/47/75/155204775.db2.gz OXDNMCOULUPCAO-YQQAZPJKSA-N 2 2 338.496 1.005 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cn21 ZINC000573429181 306620483 /nfs/dbraw/zinc/62/04/83/306620483.db2.gz KJCQGMJHTBZPGW-GASCZTMLSA-N 2 2 327.432 1.784 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416897753 304354216 /nfs/dbraw/zinc/35/42/16/304354216.db2.gz AKDVOOVVRNRASK-KCPJHIHWSA-N 2 2 331.395 1.780 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416897692 304354265 /nfs/dbraw/zinc/35/42/65/304354265.db2.gz YLVOAMVAANGCOM-QZTJIDSGSA-N 2 2 348.491 1.733 20 0 EDADLP CO[C@H](C)c1noc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000369908073 155225901 /nfs/dbraw/zinc/22/59/01/155225901.db2.gz JDGSOZAEOOZCII-UONOGXRCSA-N 2 2 337.468 1.377 20 0 EDADLP CO[C@H](C)c1noc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000369908073 155225906 /nfs/dbraw/zinc/22/59/06/155225906.db2.gz JDGSOZAEOOZCII-UONOGXRCSA-N 2 2 337.468 1.377 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000416975282 304359085 /nfs/dbraw/zinc/35/90/85/304359085.db2.gz NMWDRNNIRICZIT-JKSUJKDBSA-N 2 2 347.463 1.235 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2nccs2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354951977 150052086 /nfs/dbraw/zinc/05/20/86/150052086.db2.gz ZAJQIXFXUNYOJV-CQSZACIVSA-N 2 2 336.505 1.703 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2nccs2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354951977 150052088 /nfs/dbraw/zinc/05/20/88/150052088.db2.gz ZAJQIXFXUNYOJV-CQSZACIVSA-N 2 2 336.505 1.703 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1 ZINC000354973893 150061516 /nfs/dbraw/zinc/06/15/16/150061516.db2.gz XBNFYPVPZAZAJM-CVEARBPZSA-N 2 2 335.496 1.841 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1 ZINC000354973893 150061519 /nfs/dbraw/zinc/06/15/19/150061519.db2.gz XBNFYPVPZAZAJM-CVEARBPZSA-N 2 2 335.496 1.841 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354985804 150065877 /nfs/dbraw/zinc/06/58/77/150065877.db2.gz SYZRLQPKWODJEO-ZBFHGGJFSA-N 2 2 345.491 1.457 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3n[nH]cc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354985804 150065878 /nfs/dbraw/zinc/06/58/78/150065878.db2.gz SYZRLQPKWODJEO-ZBFHGGJFSA-N 2 2 345.491 1.457 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000355555935 150312405 /nfs/dbraw/zinc/31/24/05/150312405.db2.gz OSFNQDKCIJAEHA-HOTGVXAUSA-N 2 2 328.416 1.094 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000355555935 150312408 /nfs/dbraw/zinc/31/24/08/150312408.db2.gz OSFNQDKCIJAEHA-HOTGVXAUSA-N 2 2 328.416 1.094 20 0 EDADLP CC1(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCCC1 ZINC000355673559 150357362 /nfs/dbraw/zinc/35/73/62/150357362.db2.gz PJRWPZKVMKMAPK-KRWDZBQOSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@]1(C[NH3+])CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417032749 304363430 /nfs/dbraw/zinc/36/34/30/304363430.db2.gz HPGDLVHDWRXTDU-IEBWSBKVSA-N 2 2 346.475 1.440 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417037450 304364530 /nfs/dbraw/zinc/36/45/30/304364530.db2.gz TZVXDDUDMOPENT-RHSMWYFYSA-N 2 2 334.464 1.269 20 0 EDADLP C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357646083 151099491 /nfs/dbraw/zinc/09/94/91/151099491.db2.gz KBFBIFNPTQSYSL-IBGZPJMESA-N 2 2 345.487 1.569 20 0 EDADLP C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357646083 151099492 /nfs/dbraw/zinc/09/94/92/151099492.db2.gz KBFBIFNPTQSYSL-IBGZPJMESA-N 2 2 345.487 1.569 20 0 EDADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C1CC[NH+](CCO)CC1 ZINC000357653062 151102964 /nfs/dbraw/zinc/10/29/64/151102964.db2.gz WHMWNIJABCQKOM-FQEVSTJZSA-N 2 2 345.487 1.642 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C1CC[NH+](CCO)CC1 ZINC000357653062 151102965 /nfs/dbraw/zinc/10/29/65/151102965.db2.gz WHMWNIJABCQKOM-FQEVSTJZSA-N 2 2 345.487 1.642 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000358030581 151239743 /nfs/dbraw/zinc/23/97/43/151239743.db2.gz XPMCNPBVAGRNGT-SMDDNHRTSA-N 2 2 331.869 1.158 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000358030581 151239744 /nfs/dbraw/zinc/23/97/44/151239744.db2.gz XPMCNPBVAGRNGT-SMDDNHRTSA-N 2 2 331.869 1.158 20 0 EDADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000358173935 151295919 /nfs/dbraw/zinc/29/59/19/151295919.db2.gz WAXJIZDZEFLAKW-MSOLQXFVSA-N 2 2 345.487 1.887 20 0 EDADLP C[C@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1=O ZINC000358183155 151297604 /nfs/dbraw/zinc/29/76/04/151297604.db2.gz DQTTWQIURAHICX-CSQLCUNESA-N 2 2 342.487 1.891 20 0 EDADLP C[C@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1=O ZINC000358183155 151297607 /nfs/dbraw/zinc/29/76/07/151297607.db2.gz DQTTWQIURAHICX-CSQLCUNESA-N 2 2 342.487 1.891 20 0 EDADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000358256326 151318662 /nfs/dbraw/zinc/31/86/62/151318662.db2.gz RYRKIUWDHDOXPK-BLLLJJGKSA-N 2 2 335.839 1.638 20 0 EDADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000358256326 151318664 /nfs/dbraw/zinc/31/86/64/151318664.db2.gz RYRKIUWDHDOXPK-BLLLJJGKSA-N 2 2 335.839 1.638 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000358317001 151336000 /nfs/dbraw/zinc/33/60/00/151336000.db2.gz JPTZABXPDSWPER-GOSISDBHSA-N 2 2 337.508 1.474 20 0 EDADLP C(C[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1)N1CCOCC1 ZINC000358317001 151336003 /nfs/dbraw/zinc/33/60/03/151336003.db2.gz JPTZABXPDSWPER-GOSISDBHSA-N 2 2 337.508 1.474 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000360488512 152064710 /nfs/dbraw/zinc/06/47/10/152064710.db2.gz JTHXZGKQJBRBFP-OAHLLOKOSA-N 3 2 327.436 1.366 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000360488512 152064712 /nfs/dbraw/zinc/06/47/12/152064712.db2.gz JTHXZGKQJBRBFP-OAHLLOKOSA-N 3 2 327.436 1.366 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360496698 152068916 /nfs/dbraw/zinc/06/89/16/152068916.db2.gz NNNCNRJLPVKVDO-UHFFFAOYSA-N 2 2 331.420 1.250 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360496698 152068921 /nfs/dbraw/zinc/06/89/21/152068921.db2.gz NNNCNRJLPVKVDO-UHFFFAOYSA-N 2 2 331.420 1.250 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360548919 152090872 /nfs/dbraw/zinc/09/08/72/152090872.db2.gz DQQGMTGNLUTYFZ-HXUWFJFHSA-N 2 2 345.487 1.915 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360548919 152090876 /nfs/dbraw/zinc/09/08/76/152090876.db2.gz DQQGMTGNLUTYFZ-HXUWFJFHSA-N 2 2 345.487 1.915 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360573112 152103475 /nfs/dbraw/zinc/10/34/75/152103475.db2.gz ZTGUEWDGZBBBSD-YVEFUNNKSA-N 2 2 334.395 1.548 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360573112 152103477 /nfs/dbraw/zinc/10/34/77/152103477.db2.gz ZTGUEWDGZBBBSD-YVEFUNNKSA-N 2 2 334.395 1.548 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000360789710 152206106 /nfs/dbraw/zinc/20/61/06/152206106.db2.gz WVQJNMVEZQRCKT-IAGOWNOFSA-N 2 2 340.512 1.613 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000360789710 152206108 /nfs/dbraw/zinc/20/61/08/152206108.db2.gz WVQJNMVEZQRCKT-IAGOWNOFSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000360873479 152237558 /nfs/dbraw/zinc/23/75/58/152237558.db2.gz PSFZXJHQHLQURO-MTNOOBJLSA-N 2 2 333.476 1.527 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000360873479 152237559 /nfs/dbraw/zinc/23/75/59/152237559.db2.gz PSFZXJHQHLQURO-MTNOOBJLSA-N 2 2 333.476 1.527 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000360939873 152259072 /nfs/dbraw/zinc/25/90/72/152259072.db2.gz DZQYOZMKBUVNEC-MSOLQXFVSA-N 2 2 340.427 1.524 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000360939873 152259075 /nfs/dbraw/zinc/25/90/75/152259075.db2.gz DZQYOZMKBUVNEC-MSOLQXFVSA-N 2 2 340.427 1.524 20 0 EDADLP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000361014315 152280125 /nfs/dbraw/zinc/28/01/25/152280125.db2.gz SZHIFVKWRRYYAH-AWEZNQCLSA-N 2 2 326.824 1.673 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](Cc2nnnn2C(C)(C)C)CC1 ZINC000362327635 152680054 /nfs/dbraw/zinc/68/00/54/152680054.db2.gz YBHKNNRTSJMAHB-UHFFFAOYSA-N 2 2 338.500 1.751 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCCC(C)(C)O)([NH+]2CCCCC2)CC1 ZINC000363698318 153033740 /nfs/dbraw/zinc/03/37/40/153033740.db2.gz TWXLRHKAFIEEOD-UHFFFAOYSA-N 2 2 340.512 1.397 20 0 EDADLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@H](C)N2CC[NH+](C)CC2)[nH+]1 ZINC000363800960 153060382 /nfs/dbraw/zinc/06/03/82/153060382.db2.gz OPTBZNDUIDTVOD-AWEZNQCLSA-N 2 2 327.432 1.960 20 0 EDADLP Cc1nccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)n1 ZINC000363892446 153087508 /nfs/dbraw/zinc/08/75/08/153087508.db2.gz BVWLZVRIIDIHBL-QRTARXTBSA-N 2 2 331.464 1.348 20 0 EDADLP Cc1nccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)n1 ZINC000363892446 153087510 /nfs/dbraw/zinc/08/75/10/153087510.db2.gz BVWLZVRIIDIHBL-QRTARXTBSA-N 2 2 331.464 1.348 20 0 EDADLP CCc1cc(=O)[nH]c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000363932605 153100711 /nfs/dbraw/zinc/10/07/11/153100711.db2.gz OGWFONUUISTOJU-UHFFFAOYSA-N 2 2 334.464 1.679 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000364244056 153184692 /nfs/dbraw/zinc/18/46/92/153184692.db2.gz YFDKGBVIOVPCQX-OXQOHEQNSA-N 2 2 345.487 1.569 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000364247899 153186134 /nfs/dbraw/zinc/18/61/34/153186134.db2.gz PQGBPUIDKAPFRL-INIZCTEOSA-N 2 2 334.335 1.988 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)c[nH+]2)CC1 ZINC000364562768 153271205 /nfs/dbraw/zinc/27/12/05/153271205.db2.gz RLHVAJGDFWJRDA-LPHOPBHVSA-N 2 2 328.460 1.934 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000364897122 153363696 /nfs/dbraw/zinc/36/36/96/153363696.db2.gz RUVMANAWTGPRRY-DJIMGWMZSA-N 2 2 332.448 1.973 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000364897122 153363699 /nfs/dbraw/zinc/36/36/99/153363699.db2.gz RUVMANAWTGPRRY-DJIMGWMZSA-N 2 2 332.448 1.973 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000365006240 153396636 /nfs/dbraw/zinc/39/66/36/153396636.db2.gz VHDRQSYKNQQPLP-INIZCTEOSA-N 2 2 346.475 1.549 20 0 EDADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000271444490 286372799 /nfs/dbraw/zinc/37/27/99/286372799.db2.gz SOALNHXDYNOVAJ-ZWKOTPCHSA-N 2 2 347.459 1.279 20 0 EDADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000271444490 286372801 /nfs/dbraw/zinc/37/28/01/286372801.db2.gz SOALNHXDYNOVAJ-ZWKOTPCHSA-N 2 2 347.459 1.279 20 0 EDADLP COc1ccc(C(=O)CC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000367152606 154024038 /nfs/dbraw/zinc/02/40/38/154024038.db2.gz URXHGEHYCBLBBR-SFHVURJKSA-N 2 2 345.487 1.980 20 0 EDADLP COc1ccc(C(=O)CC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000367152606 154024042 /nfs/dbraw/zinc/02/40/42/154024042.db2.gz URXHGEHYCBLBBR-SFHVURJKSA-N 2 2 345.487 1.980 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3noc(C(F)F)n3)CCC2)CC1 ZINC000367774408 154262940 /nfs/dbraw/zinc/26/29/40/154262940.db2.gz ZCYBYZXAJDMJIG-UHFFFAOYSA-N 2 2 343.378 1.140 20 0 EDADLP CCn1nc(C)c(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000367847898 154297236 /nfs/dbraw/zinc/29/72/36/154297236.db2.gz RJPBVSGRLZXECA-INIZCTEOSA-N 2 2 347.507 1.347 20 0 EDADLP CCn1nc(C)c(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000367847898 154297242 /nfs/dbraw/zinc/29/72/42/154297242.db2.gz RJPBVSGRLZXECA-INIZCTEOSA-N 2 2 347.507 1.347 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000369394706 155010993 /nfs/dbraw/zinc/01/09/93/155010993.db2.gz IRBVKFKCLDLJAS-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000369394706 155011003 /nfs/dbraw/zinc/01/10/03/155011003.db2.gz IRBVKFKCLDLJAS-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCN(C(=O)NCC[NH+](C)C2CC2)CC1 ZINC000369394706 155011005 /nfs/dbraw/zinc/01/10/05/155011005.db2.gz IRBVKFKCLDLJAS-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCN(C(=O)NCC[NH+](C)C2CC2)CC1 ZINC000369394706 155011010 /nfs/dbraw/zinc/01/10/10/155011010.db2.gz IRBVKFKCLDLJAS-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP CCn1ccnc1C[NH+]1CCCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000369394706 155011014 /nfs/dbraw/zinc/01/10/14/155011014.db2.gz IRBVKFKCLDLJAS-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP CCn1ccnc1C[NH+]1CCCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000369394706 155011017 /nfs/dbraw/zinc/01/10/17/155011017.db2.gz IRBVKFKCLDLJAS-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCC(=O)c3ccccc3)CCO2)CC1 ZINC000369443178 155035967 /nfs/dbraw/zinc/03/59/67/155035967.db2.gz NUHQAQBQMRLWKG-GOSISDBHSA-N 2 2 331.460 1.208 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCC(=O)c3ccccc3)CCO2)CC1 ZINC000369443178 155035968 /nfs/dbraw/zinc/03/59/68/155035968.db2.gz NUHQAQBQMRLWKG-GOSISDBHSA-N 2 2 331.460 1.208 20 0 EDADLP CN(C(=O)CCc1c[nH+]cn1C)C1CCN(c2cccc[nH+]2)CC1 ZINC000369545033 155081293 /nfs/dbraw/zinc/08/12/93/155081293.db2.gz CFFKAYUBUCHNLY-UHFFFAOYSA-N 2 2 327.432 1.875 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599055 155103594 /nfs/dbraw/zinc/10/35/94/155103594.db2.gz GRTHEPZZSWVKPP-NEWSRXKRSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599055 155103600 /nfs/dbraw/zinc/10/36/00/155103600.db2.gz GRTHEPZZSWVKPP-NEWSRXKRSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599055 155103605 /nfs/dbraw/zinc/10/36/05/155103605.db2.gz GRTHEPZZSWVKPP-NEWSRXKRSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599055 155103607 /nfs/dbraw/zinc/10/36/07/155103607.db2.gz GRTHEPZZSWVKPP-NEWSRXKRSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N(C1CC1)C1CCCC1 ZINC000369618062 155112611 /nfs/dbraw/zinc/11/26/11/155112611.db2.gz AACVVQMOLGQJQT-INIZCTEOSA-N 2 2 335.492 1.574 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N(C1CC1)C1CCCC1 ZINC000369618062 155112613 /nfs/dbraw/zinc/11/26/13/155112613.db2.gz AACVVQMOLGQJQT-INIZCTEOSA-N 2 2 335.492 1.574 20 0 EDADLP CCn1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000369650447 155121179 /nfs/dbraw/zinc/12/11/79/155121179.db2.gz VELVZMSFAJQCDY-UHFFFAOYSA-N 2 2 333.480 1.583 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000369752519 292336743 /nfs/dbraw/zinc/33/67/43/292336743.db2.gz GUGCENSWGWHIOV-UHFFFAOYSA-N 2 2 337.468 1.029 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000369752519 292336744 /nfs/dbraw/zinc/33/67/44/292336744.db2.gz GUGCENSWGWHIOV-UHFFFAOYSA-N 2 2 337.468 1.029 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000371814525 156119249 /nfs/dbraw/zinc/11/92/49/156119249.db2.gz LNJYXIXPIJLKSA-GOSISDBHSA-N 2 2 346.475 1.227 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000371814525 156119251 /nfs/dbraw/zinc/11/92/51/156119251.db2.gz LNJYXIXPIJLKSA-GOSISDBHSA-N 2 2 346.475 1.227 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)CCC2 ZINC000372227114 156278148 /nfs/dbraw/zinc/27/81/48/156278148.db2.gz YPTNQXMAHQGWGW-DOTOQJQBSA-N 2 2 348.491 1.978 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)c1C ZINC000373829862 157024774 /nfs/dbraw/zinc/02/47/74/157024774.db2.gz FRTMMSXPFROPHG-MRXNPFEDSA-N 2 2 335.448 1.775 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)c1C ZINC000373829862 157024778 /nfs/dbraw/zinc/02/47/78/157024778.db2.gz FRTMMSXPFROPHG-MRXNPFEDSA-N 2 2 335.448 1.775 20 0 EDADLP CCSc1nccnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374052048 157123349 /nfs/dbraw/zinc/12/33/49/157123349.db2.gz PPTKMEAREIPSFX-ZDUSSCGKSA-N 2 2 349.504 1.487 20 0 EDADLP CCSc1nccnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374052048 157123352 /nfs/dbraw/zinc/12/33/52/157123352.db2.gz PPTKMEAREIPSFX-ZDUSSCGKSA-N 2 2 349.504 1.487 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)C1 ZINC000374238153 157208529 /nfs/dbraw/zinc/20/85/29/157208529.db2.gz CJZTZZNFWFJAMQ-KRWDZBQOSA-N 2 2 349.475 1.239 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)C1 ZINC000374238153 157208531 /nfs/dbraw/zinc/20/85/31/157208531.db2.gz CJZTZZNFWFJAMQ-KRWDZBQOSA-N 2 2 349.475 1.239 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2F)CCN1C1CC[NH+](C)CC1 ZINC000374608358 157344103 /nfs/dbraw/zinc/34/41/03/157344103.db2.gz WPIUAQSJZXFRPW-BEFAXECRSA-N 2 2 335.467 1.959 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000378071883 158072162 /nfs/dbraw/zinc/07/21/62/158072162.db2.gz LXTGAAOTBHCGSW-DOMZBBRYSA-N 2 2 333.461 1.974 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000378071883 158072164 /nfs/dbraw/zinc/07/21/64/158072164.db2.gz LXTGAAOTBHCGSW-DOMZBBRYSA-N 2 2 333.461 1.974 20 0 EDADLP COc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1 ZINC000378367273 158154171 /nfs/dbraw/zinc/15/41/71/158154171.db2.gz QEEYSXZFWPMELD-AWEZNQCLSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1 ZINC000378367273 158154173 /nfs/dbraw/zinc/15/41/73/158154173.db2.gz QEEYSXZFWPMELD-AWEZNQCLSA-N 2 2 347.459 1.641 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378365089 158154191 /nfs/dbraw/zinc/15/41/91/158154191.db2.gz HSWJCVGXKVQAMR-OAHLLOKOSA-N 2 2 333.451 1.995 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378365089 158154194 /nfs/dbraw/zinc/15/41/94/158154194.db2.gz HSWJCVGXKVQAMR-OAHLLOKOSA-N 2 2 333.451 1.995 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H]3CCCOC3)CC2)c1 ZINC000352185577 162037867 /nfs/dbraw/zinc/03/78/67/162037867.db2.gz DNSMOGBBMUOOGG-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H]3CCCOC3)CC2)c1 ZINC000352185577 162037872 /nfs/dbraw/zinc/03/78/72/162037872.db2.gz DNSMOGBBMUOOGG-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@H]21 ZINC000352284287 162093405 /nfs/dbraw/zinc/09/34/05/162093405.db2.gz BYWSPXKGUCZSJT-MSOLQXFVSA-N 2 2 329.444 1.437 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000352460448 162193351 /nfs/dbraw/zinc/19/33/51/162193351.db2.gz DRDHUMOTTUUFGJ-HNNXBMFYSA-N 2 2 333.501 1.598 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000352460448 162193354 /nfs/dbraw/zinc/19/33/54/162193354.db2.gz DRDHUMOTTUUFGJ-HNNXBMFYSA-N 2 2 333.501 1.598 20 0 EDADLP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352504718 162217664 /nfs/dbraw/zinc/21/76/64/162217664.db2.gz UDNNQEJZPUXJNS-MAUKXSAKSA-N 2 2 330.476 1.556 20 0 EDADLP CSCCCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000077622895 287289304 /nfs/dbraw/zinc/28/93/04/287289304.db2.gz ALIDBBRAIHGBJP-UHFFFAOYSA-N 2 2 330.542 1.797 20 0 EDADLP CSCCCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000077622895 287289305 /nfs/dbraw/zinc/28/93/05/287289305.db2.gz ALIDBBRAIHGBJP-UHFFFAOYSA-N 2 2 330.542 1.797 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000171955063 227385819 /nfs/dbraw/zinc/38/58/19/227385819.db2.gz LIHAYXBFXMABSL-UHFFFAOYSA-N 2 2 343.431 1.386 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC2CC[NH2+]CC2)[NH+]2CCOCC2)cc1 ZINC000165675040 226131436 /nfs/dbraw/zinc/13/14/36/226131436.db2.gz FCWKTIWVHHUYDA-LJQANCHMSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000165669722 226131672 /nfs/dbraw/zinc/13/16/72/226131672.db2.gz GNBLUPRHZJFRSH-ROUUACIJSA-N 2 2 331.460 1.484 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000124857001 287401033 /nfs/dbraw/zinc/40/10/33/287401033.db2.gz GWZIQKCMTDAWLV-KRWDZBQOSA-N 2 2 347.507 1.600 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123827978 222338432 /nfs/dbraw/zinc/33/84/32/222338432.db2.gz HYJPPYCPCIYTCF-DZGCQCFKSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123827978 222338435 /nfs/dbraw/zinc/33/84/35/222338435.db2.gz HYJPPYCPCIYTCF-DZGCQCFKSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123827978 222338438 /nfs/dbraw/zinc/33/84/38/222338438.db2.gz HYJPPYCPCIYTCF-DZGCQCFKSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123827978 222338445 /nfs/dbraw/zinc/33/84/45/222338445.db2.gz HYJPPYCPCIYTCF-DZGCQCFKSA-N 2 2 348.447 1.758 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)CC[N@@H+]1C ZINC000123701316 222318888 /nfs/dbraw/zinc/31/88/88/222318888.db2.gz ZSVRMQWVOQBTTI-GOEBONIOSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)CC[N@H+]1C ZINC000123701316 222318889 /nfs/dbraw/zinc/31/88/89/222318889.db2.gz ZSVRMQWVOQBTTI-GOEBONIOSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)CC[NH+]1C ZINC000123701316 222318890 /nfs/dbraw/zinc/31/88/90/222318890.db2.gz ZSVRMQWVOQBTTI-GOEBONIOSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)CC[NH+]1C ZINC000123701316 222318891 /nfs/dbraw/zinc/31/88/91/222318891.db2.gz ZSVRMQWVOQBTTI-GOEBONIOSA-N 2 2 332.448 1.427 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000130685112 287497567 /nfs/dbraw/zinc/49/75/67/287497567.db2.gz XRCWKVZZKFWINJ-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC[NH+](C)C)c[nH+]2)C[C@H](C)O1 ZINC000133406892 287538829 /nfs/dbraw/zinc/53/88/29/287538829.db2.gz LTSHJUMACHYNOX-OKILXGFUSA-N 2 2 335.452 1.056 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000273163497 273030770 /nfs/dbraw/zinc/03/07/70/273030770.db2.gz AIKILILLSQPYHD-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000273163497 273030772 /nfs/dbraw/zinc/03/07/72/273030772.db2.gz AIKILILLSQPYHD-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000273425046 273038335 /nfs/dbraw/zinc/03/83/35/273038335.db2.gz RPSLIUGUYUFCLN-USXIJHARSA-N 2 2 340.427 1.774 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000273425046 273038336 /nfs/dbraw/zinc/03/83/36/273038336.db2.gz RPSLIUGUYUFCLN-USXIJHARSA-N 2 2 340.427 1.774 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000275736774 273124102 /nfs/dbraw/zinc/12/41/02/273124102.db2.gz VENZWKXCKGHPIR-HNNXBMFYSA-N 2 2 332.448 1.469 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279067181 273278080 /nfs/dbraw/zinc/27/80/80/273278080.db2.gz SXXCMUXNTUMOAO-CYBMUJFWSA-N 2 2 338.415 1.575 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000279239338 273287309 /nfs/dbraw/zinc/28/73/09/273287309.db2.gz FUZOHHBXBVGMTO-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000279239338 273287310 /nfs/dbraw/zinc/28/73/10/273287310.db2.gz FUZOHHBXBVGMTO-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279592414 273309172 /nfs/dbraw/zinc/30/91/72/273309172.db2.gz VMKGFNFHBPCVCN-LJQANCHMSA-N 2 2 343.471 1.762 20 0 EDADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279592414 273309173 /nfs/dbraw/zinc/30/91/73/273309173.db2.gz VMKGFNFHBPCVCN-LJQANCHMSA-N 2 2 343.471 1.762 20 0 EDADLP C[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)N1CC[NH+](C)CC1 ZINC000281192781 273446912 /nfs/dbraw/zinc/44/69/12/273446912.db2.gz CURUTSABTIKHOA-CYBMUJFWSA-N 2 2 338.883 1.976 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@@H]21 ZINC000284881952 274370985 /nfs/dbraw/zinc/37/09/85/274370985.db2.gz ZIZACGZLOXFPHD-RBUKOAKNSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@@H]21 ZINC000284881952 274370989 /nfs/dbraw/zinc/37/09/89/274370989.db2.gz ZIZACGZLOXFPHD-RBUKOAKNSA-N 2 2 343.471 1.828 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)o1 ZINC000284920731 274387520 /nfs/dbraw/zinc/38/75/20/274387520.db2.gz TWWGYKNGVSESNO-SUMWQHHRSA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)o1 ZINC000284920731 274387521 /nfs/dbraw/zinc/38/75/21/274387521.db2.gz TWWGYKNGVSESNO-SUMWQHHRSA-N 2 2 346.431 1.972 20 0 EDADLP CS(=O)(=O)C1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000285662441 274610106 /nfs/dbraw/zinc/61/01/06/274610106.db2.gz MKEISLRWRFBNEA-UHFFFAOYSA-N 2 2 337.489 1.997 20 0 EDADLP CC(C)C[C@](C)(C[NH3+])NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000157496428 275602806 /nfs/dbraw/zinc/60/28/06/275602806.db2.gz CARNDYGRGZSAHH-GOSISDBHSA-N 2 2 333.480 1.083 20 0 EDADLP CC(C)c1cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000357585391 275730475 /nfs/dbraw/zinc/73/04/75/275730475.db2.gz VTAYNTOZYKVNGM-GDBMZVCRSA-N 2 2 333.480 1.965 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000343659196 276243496 /nfs/dbraw/zinc/24/34/96/276243496.db2.gz AIPBBXZQPAJHSV-QAPCUYQASA-N 2 2 331.460 1.589 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000343659196 276243497 /nfs/dbraw/zinc/24/34/97/276243497.db2.gz AIPBBXZQPAJHSV-QAPCUYQASA-N 2 2 331.460 1.589 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000333368696 276885750 /nfs/dbraw/zinc/88/57/50/276885750.db2.gz FDXPTHWZISFMMW-IAGOWNOFSA-N 3 2 337.512 1.114 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@H]43)cn2)CC1 ZINC000459704702 277114283 /nfs/dbraw/zinc/11/42/83/277114283.db2.gz HVCZYVLUTQHXBS-DLBZAZTESA-N 2 2 343.475 1.229 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@H]43)cn2)CC1 ZINC000459704702 277114285 /nfs/dbraw/zinc/11/42/85/277114285.db2.gz HVCZYVLUTQHXBS-DLBZAZTESA-N 2 2 343.475 1.229 20 0 EDADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000358140972 277326123 /nfs/dbraw/zinc/32/61/23/277326123.db2.gz OOBDBLVBTIYYGL-XHSDSOJGSA-N 2 2 349.479 1.295 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000105301800 277379775 /nfs/dbraw/zinc/37/97/75/277379775.db2.gz IFSDMEGOFKCADY-HOTGVXAUSA-N 2 2 328.501 1.325 20 0 EDADLP COc1ccccc1[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)N(C)C ZINC000414276831 278062286 /nfs/dbraw/zinc/06/22/86/278062286.db2.gz WGIZXUINUFPKFR-INIZCTEOSA-N 2 2 331.464 1.887 20 0 EDADLP C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+]1CCOCC1 ZINC000339678112 278151131 /nfs/dbraw/zinc/15/11/31/278151131.db2.gz RLLKWTMYWYMAKI-BRWVUGGUSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000372661774 278245409 /nfs/dbraw/zinc/24/54/09/278245409.db2.gz ZCLIBUGHUADQIW-GOEBONIOSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000372661774 278245411 /nfs/dbraw/zinc/24/54/11/278245411.db2.gz ZCLIBUGHUADQIW-GOEBONIOSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C[NH3+] ZINC000420412638 278367450 /nfs/dbraw/zinc/36/74/50/278367450.db2.gz SITOAKDCMTZXGN-LSDHHAIUSA-N 2 2 344.459 1.669 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C[NH3+] ZINC000420412638 278367451 /nfs/dbraw/zinc/36/74/51/278367451.db2.gz SITOAKDCMTZXGN-LSDHHAIUSA-N 2 2 344.459 1.669 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000333303348 278368994 /nfs/dbraw/zinc/36/89/94/278368994.db2.gz QKULGHDHNHKBAS-MCIONIFRSA-N 2 2 343.518 1.631 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[NH2+]CC2CC2)[NH+]2CCOCC2)cc1 ZINC000165675443 278855921 /nfs/dbraw/zinc/85/59/21/278855921.db2.gz CUFPLSJGRWVIJT-SFHVURJKSA-N 2 2 331.460 1.484 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)c1C ZINC000351852304 279187590 /nfs/dbraw/zinc/18/75/90/279187590.db2.gz MSGOVTSGOCPHTG-WCQYABFASA-N 2 2 347.488 1.690 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cs2)c1C ZINC000351852304 279187591 /nfs/dbraw/zinc/18/75/91/279187591.db2.gz MSGOVTSGOCPHTG-WCQYABFASA-N 2 2 347.488 1.690 20 0 EDADLP CC(C)N(C)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346897949 279320968 /nfs/dbraw/zinc/32/09/68/279320968.db2.gz SIBJYMQNMOPQSK-QAPCUYQASA-N 2 2 335.496 1.602 20 0 EDADLP CC(C)N(C)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346897949 279320971 /nfs/dbraw/zinc/32/09/71/279320971.db2.gz SIBJYMQNMOPQSK-QAPCUYQASA-N 2 2 335.496 1.602 20 0 EDADLP CC(C)N(C)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346897949 279320974 /nfs/dbraw/zinc/32/09/74/279320974.db2.gz SIBJYMQNMOPQSK-QAPCUYQASA-N 2 2 335.496 1.602 20 0 EDADLP CC(C)N(C)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346897949 279320976 /nfs/dbraw/zinc/32/09/76/279320976.db2.gz SIBJYMQNMOPQSK-QAPCUYQASA-N 2 2 335.496 1.602 20 0 EDADLP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000181386462 279347412 /nfs/dbraw/zinc/34/74/12/279347412.db2.gz CLPUKKCHTXDHEE-KRWDZBQOSA-N 2 2 336.399 1.393 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125285 279353010 /nfs/dbraw/zinc/35/30/10/279353010.db2.gz XDLGGYTYOXTNJQ-SFHVURJKSA-N 2 2 333.476 1.386 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125285 279353011 /nfs/dbraw/zinc/35/30/11/279353011.db2.gz XDLGGYTYOXTNJQ-SFHVURJKSA-N 2 2 333.476 1.386 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287295111 288202653 /nfs/dbraw/zinc/20/26/53/288202653.db2.gz MHSJLDVSQXLOKK-QGZVFWFLSA-N 2 2 326.868 1.632 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287295111 288202655 /nfs/dbraw/zinc/20/26/55/288202655.db2.gz MHSJLDVSQXLOKK-QGZVFWFLSA-N 2 2 326.868 1.632 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)C1 ZINC000662152187 452888694 /nfs/dbraw/zinc/88/86/94/452888694.db2.gz QOIFHUVXLLJNMU-LBPRGKRZSA-N 2 2 346.340 1.732 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)C1 ZINC000662152187 452888700 /nfs/dbraw/zinc/88/87/00/452888700.db2.gz QOIFHUVXLLJNMU-LBPRGKRZSA-N 2 2 346.340 1.732 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000287726677 288306478 /nfs/dbraw/zinc/30/64/78/288306478.db2.gz SVEWQIALBXYOML-FUHWJXTLSA-N 2 2 348.491 1.618 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000289023349 288614786 /nfs/dbraw/zinc/61/47/86/288614786.db2.gz INGKRCSHKOHHDU-WFASDCNBSA-N 2 2 333.411 1.898 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289494561 288713767 /nfs/dbraw/zinc/71/37/67/288713767.db2.gz ZJXIDQWSEJMXSX-OAHLLOKOSA-N 2 2 335.448 1.774 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000290085877 288836592 /nfs/dbraw/zinc/83/65/92/288836592.db2.gz JDNBLESHGUOKDY-QRVBRYPASA-N 2 2 345.487 1.434 20 0 EDADLP C[C@H](CCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000290606108 288924056 /nfs/dbraw/zinc/92/40/56/288924056.db2.gz RNLSAYGGLBGKEW-MRXNPFEDSA-N 2 2 349.479 1.112 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC2CC(F)(F)C2)CC1 ZINC000458587576 289068534 /nfs/dbraw/zinc/06/85/34/289068534.db2.gz JOXADSZSEJPVPZ-UHFFFAOYSA-N 2 2 332.439 1.747 20 0 EDADLP C[NH+](C)CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CCCC1 ZINC000344387634 289121704 /nfs/dbraw/zinc/12/17/04/289121704.db2.gz MKWCCDRJIIBHEW-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP C[NH+](C)CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)C1CCCC1 ZINC000344387634 289121709 /nfs/dbraw/zinc/12/17/09/289121709.db2.gz MKWCCDRJIIBHEW-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000292015284 289239703 /nfs/dbraw/zinc/23/97/03/289239703.db2.gz DRZXZKLWZCMDGH-KRWDZBQOSA-N 2 2 331.460 1.742 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000292034558 289245014 /nfs/dbraw/zinc/24/50/14/289245014.db2.gz HHRBCYSARGINQU-QZTJIDSGSA-N 2 2 331.460 1.708 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292057333 289250893 /nfs/dbraw/zinc/25/08/93/289250893.db2.gz CGBVTFFPTBDBGF-AUUYWEPGSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292057333 289250894 /nfs/dbraw/zinc/25/08/94/289250894.db2.gz CGBVTFFPTBDBGF-AUUYWEPGSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292057333 289250897 /nfs/dbraw/zinc/25/08/97/289250897.db2.gz CGBVTFFPTBDBGF-AUUYWEPGSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292057333 289250900 /nfs/dbraw/zinc/25/09/00/289250900.db2.gz CGBVTFFPTBDBGF-AUUYWEPGSA-N 2 2 344.459 2.000 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC000371302711 289334129 /nfs/dbraw/zinc/33/41/29/289334129.db2.gz ZTHGYNRDOXWLKJ-IKGGRYGDSA-N 2 2 335.492 1.475 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC000371302711 289334132 /nfs/dbraw/zinc/33/41/32/289334132.db2.gz ZTHGYNRDOXWLKJ-IKGGRYGDSA-N 2 2 335.492 1.475 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)NCC[N@@H+]2CCCOCC2)CCOc2ccccc21 ZINC000376068739 289338906 /nfs/dbraw/zinc/33/89/06/289338906.db2.gz LDYKTFYMRBDHGB-IBGZPJMESA-N 2 2 347.459 1.065 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)NCC[N@H+]2CCCOCC2)CCOc2ccccc21 ZINC000376068739 289338907 /nfs/dbraw/zinc/33/89/07/289338907.db2.gz LDYKTFYMRBDHGB-IBGZPJMESA-N 2 2 347.459 1.065 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423351580 295643520 /nfs/dbraw/zinc/64/35/20/295643520.db2.gz ZFRRFYJOVURPIO-HNNXBMFYSA-N 2 2 328.420 1.435 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000418695221 304529078 /nfs/dbraw/zinc/52/90/78/304529078.db2.gz JDZSXVNYVURPQZ-KGLIPLIRSA-N 2 2 340.493 1.500 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)C(=O)N[C@H](C)C[NH3+])ccc2n1C1CC1 ZINC000418899955 304546156 /nfs/dbraw/zinc/54/61/56/304546156.db2.gz JRYONNLRDVEGRA-LLVKDONJSA-N 2 2 343.431 1.013 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420376566 304753635 /nfs/dbraw/zinc/75/36/35/304753635.db2.gz VFHSBYVURYZBIW-TXPKVOOTSA-N 2 2 333.476 1.856 20 0 EDADLP C[C@@H](O)C[C@@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000448393423 447315540 /nfs/dbraw/zinc/31/55/40/447315540.db2.gz YUDMCOWRBMNVFR-WBVHZDCISA-N 2 2 340.512 1.347 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422034533 447318520 /nfs/dbraw/zinc/31/85/20/447318520.db2.gz JLVSPUFBLLMEKK-HOTGVXAUSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422034533 447318527 /nfs/dbraw/zinc/31/85/27/447318527.db2.gz JLVSPUFBLLMEKK-HOTGVXAUSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422034533 447318530 /nfs/dbraw/zinc/31/85/30/447318530.db2.gz JLVSPUFBLLMEKK-HOTGVXAUSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422034533 447318538 /nfs/dbraw/zinc/31/85/38/447318538.db2.gz JLVSPUFBLLMEKK-HOTGVXAUSA-N 2 2 349.479 1.036 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000294066944 303058120 /nfs/dbraw/zinc/05/81/20/303058120.db2.gz BKQRXXAHBMMYPP-HNNXBMFYSA-N 2 2 332.448 1.964 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000343242599 303079157 /nfs/dbraw/zinc/07/91/57/303079157.db2.gz MAFYMGMYQKEWGA-YQVWRLOYSA-N 2 2 348.491 1.542 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000343242599 303079159 /nfs/dbraw/zinc/07/91/59/303079159.db2.gz MAFYMGMYQKEWGA-YQVWRLOYSA-N 2 2 348.491 1.542 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000294350152 303095433 /nfs/dbraw/zinc/09/54/33/303095433.db2.gz UQLXBBBXQHTZDG-JKSUJKDBSA-N 2 2 348.447 1.267 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000295042285 303166371 /nfs/dbraw/zinc/16/63/71/303166371.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000295042285 303166372 /nfs/dbraw/zinc/16/63/72/303166372.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 3 2 331.504 1.724 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2)CC1 ZINC000295844658 303274616 /nfs/dbraw/zinc/27/46/16/303274616.db2.gz FSCBVVUZNIXQDX-SFHVURJKSA-N 2 2 325.460 1.865 20 0 EDADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2)CC1 ZINC000295844658 303274617 /nfs/dbraw/zinc/27/46/17/303274617.db2.gz FSCBVVUZNIXQDX-SFHVURJKSA-N 2 2 325.460 1.865 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295909177 303282197 /nfs/dbraw/zinc/28/21/97/303282197.db2.gz IVDPEZBYYQEGGW-GJZGRUSLSA-N 2 2 334.464 1.856 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295909177 303282199 /nfs/dbraw/zinc/28/21/99/303282199.db2.gz IVDPEZBYYQEGGW-GJZGRUSLSA-N 2 2 334.464 1.856 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000133390023 303652672 /nfs/dbraw/zinc/65/26/72/303652672.db2.gz OHCACWFKTCNBJV-DLBZAZTESA-N 2 2 349.500 1.271 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000493568568 447344305 /nfs/dbraw/zinc/34/43/05/447344305.db2.gz OSSKFBMADRUISC-DKFQHHCZSA-N 2 2 326.400 1.176 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000493568568 447344310 /nfs/dbraw/zinc/34/43/10/447344310.db2.gz OSSKFBMADRUISC-DKFQHHCZSA-N 2 2 326.400 1.176 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422590511 304873162 /nfs/dbraw/zinc/87/31/62/304873162.db2.gz KYHPAIOVVTXZRT-KRWDZBQOSA-N 2 2 348.491 1.795 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)CN1CCOCC1 ZINC000422720110 304879086 /nfs/dbraw/zinc/87/90/86/304879086.db2.gz ZPYGBMSEIHZASH-MISYRCLQSA-N 2 2 347.503 1.287 20 0 EDADLP Cn1cc(-c2cccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)c2)cn1 ZINC000422966164 304881690 /nfs/dbraw/zinc/88/16/90/304881690.db2.gz QVGDVVZPJVYJDE-OALUTQOASA-N 2 2 326.444 1.944 20 0 EDADLP C[C@H]([NH2+]CC(=O)N[C@@H]1CCOc2ccccc21)c1c[nH+]ccc1N ZINC000423112710 304886984 /nfs/dbraw/zinc/88/69/84/304886984.db2.gz KASTZIGXBACNKQ-BLLLJJGKSA-N 2 2 326.400 1.785 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)c1 ZINC000423440737 304896410 /nfs/dbraw/zinc/89/64/10/304896410.db2.gz VXMUVKLDFQAOBL-BBRMVZONSA-N 2 2 341.477 1.014 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423468128 304896990 /nfs/dbraw/zinc/89/69/90/304896990.db2.gz JKUJHTLCKJXYSM-ILXRZTDVSA-N 2 2 347.463 1.152 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000423914402 304915728 /nfs/dbraw/zinc/91/57/28/304915728.db2.gz AMFZKDYXHIQLFU-DOTOQJQBSA-N 2 2 340.427 1.827 20 0 EDADLP C[C@@H]1CN(c2ccc(C[NH2+]Cc3c[nH+]c(N(C)C)n3C)cn2)CCO1 ZINC000425333898 304961542 /nfs/dbraw/zinc/96/15/42/304961542.db2.gz DBOOQFSMXXZUSU-CQSZACIVSA-N 2 2 344.463 1.396 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428040665 305005120 /nfs/dbraw/zinc/00/51/20/305005120.db2.gz XNYGXRAHUSNZSV-FUHWJXTLSA-N 2 2 331.460 1.775 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428040665 305005121 /nfs/dbraw/zinc/00/51/21/305005121.db2.gz XNYGXRAHUSNZSV-FUHWJXTLSA-N 2 2 331.460 1.775 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428041956 305005235 /nfs/dbraw/zinc/00/52/35/305005235.db2.gz AMIAXDUKTPVRCW-KLHDSHLOSA-N 2 2 345.443 1.015 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428041956 305005236 /nfs/dbraw/zinc/00/52/36/305005236.db2.gz AMIAXDUKTPVRCW-KLHDSHLOSA-N 2 2 345.443 1.015 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000428495555 305010245 /nfs/dbraw/zinc/01/02/45/305010245.db2.gz QUYIKDFDOZSXLC-BBRMVZONSA-N 2 2 339.867 1.468 20 0 EDADLP CSCCC[N@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428963197 305020954 /nfs/dbraw/zinc/02/09/54/305020954.db2.gz DFFFXDIAEAEGLY-OAHLLOKOSA-N 2 2 336.505 1.804 20 0 EDADLP CSCCC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000428963197 305020955 /nfs/dbraw/zinc/02/09/55/305020955.db2.gz DFFFXDIAEAEGLY-OAHLLOKOSA-N 2 2 336.505 1.804 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000429007702 305022351 /nfs/dbraw/zinc/02/23/51/305022351.db2.gz WENFPQCWXIABJI-UKRRQHHQSA-N 2 2 333.398 1.815 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000429007702 305022352 /nfs/dbraw/zinc/02/23/52/305022352.db2.gz WENFPQCWXIABJI-UKRRQHHQSA-N 2 2 333.398 1.815 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000429007702 305022353 /nfs/dbraw/zinc/02/23/53/305022353.db2.gz WENFPQCWXIABJI-UKRRQHHQSA-N 2 2 333.398 1.815 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000429007702 305022354 /nfs/dbraw/zinc/02/23/54/305022354.db2.gz WENFPQCWXIABJI-UKRRQHHQSA-N 2 2 333.398 1.815 20 0 EDADLP [NH3+][C@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000429105547 305023968 /nfs/dbraw/zinc/02/39/68/305023968.db2.gz JBWBEFSVEPVRSA-LJQANCHMSA-N 2 2 339.439 1.949 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]C1)c1ccccc1C[NH+]1CCOCC1 ZINC000429222602 305025882 /nfs/dbraw/zinc/02/58/82/305025882.db2.gz VVWWYUVGSVMWMG-MRXNPFEDSA-N 2 2 331.460 1.638 20 0 EDADLP COC1(C[C@@H](C)[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000429515252 305031305 /nfs/dbraw/zinc/03/13/05/305031305.db2.gz NHYFFDGHBDQKLG-QGZVFWFLSA-N 2 2 347.507 1.926 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[NH+]2CCC([NH3+])CC2)cc1OC ZINC000429677066 305034700 /nfs/dbraw/zinc/03/47/00/305034700.db2.gz VAMADQUOJUIFLD-ZDUSSCGKSA-N 2 2 335.448 1.694 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(CC[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000429688188 305035174 /nfs/dbraw/zinc/03/51/74/305035174.db2.gz ZBXZRQBDNGJRMP-FQEVSTJZSA-N 2 2 330.520 1.830 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(CC[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000429688188 305035175 /nfs/dbraw/zinc/03/51/75/305035175.db2.gz ZBXZRQBDNGJRMP-FQEVSTJZSA-N 2 2 330.520 1.830 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CCN(C)Cc3ccccc3)C2)CC1 ZINC000429688188 305035176 /nfs/dbraw/zinc/03/51/76/305035176.db2.gz ZBXZRQBDNGJRMP-FQEVSTJZSA-N 2 2 330.520 1.830 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CCN(C)Cc3ccccc3)C2)CC1 ZINC000429688188 305035177 /nfs/dbraw/zinc/03/51/77/305035177.db2.gz ZBXZRQBDNGJRMP-FQEVSTJZSA-N 2 2 330.520 1.830 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(CC[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000429688188 305035178 /nfs/dbraw/zinc/03/51/78/305035178.db2.gz ZBXZRQBDNGJRMP-FQEVSTJZSA-N 2 2 330.520 1.830 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(CC[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000429688188 305035179 /nfs/dbraw/zinc/03/51/79/305035179.db2.gz ZBXZRQBDNGJRMP-FQEVSTJZSA-N 2 2 330.520 1.830 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430599268 305057894 /nfs/dbraw/zinc/05/78/94/305057894.db2.gz GBEIWQOHHKDEQA-CHWSQXEVSA-N 2 2 325.403 1.683 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430599268 305057895 /nfs/dbraw/zinc/05/78/95/305057895.db2.gz GBEIWQOHHKDEQA-CHWSQXEVSA-N 2 2 325.403 1.683 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430606696 305058361 /nfs/dbraw/zinc/05/83/61/305058361.db2.gz ACCRXQFTLXCEDB-INIZCTEOSA-N 2 2 333.476 1.976 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430606696 305058362 /nfs/dbraw/zinc/05/83/62/305058362.db2.gz ACCRXQFTLXCEDB-INIZCTEOSA-N 2 2 333.476 1.976 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000430629326 305060250 /nfs/dbraw/zinc/06/02/50/305060250.db2.gz PWXVHRXGECPCSK-HNNXBMFYSA-N 2 2 336.505 1.063 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000430629326 305060251 /nfs/dbraw/zinc/06/02/51/305060251.db2.gz PWXVHRXGECPCSK-HNNXBMFYSA-N 2 2 336.505 1.063 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000430629326 305060252 /nfs/dbraw/zinc/06/02/52/305060252.db2.gz PWXVHRXGECPCSK-HNNXBMFYSA-N 3 2 336.505 1.063 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000430629326 305060253 /nfs/dbraw/zinc/06/02/53/305060253.db2.gz PWXVHRXGECPCSK-HNNXBMFYSA-N 3 2 336.505 1.063 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC([NH3+])CC1 ZINC000430645343 305060968 /nfs/dbraw/zinc/06/09/68/305060968.db2.gz BFBIPJOLXUSXLV-AWEZNQCLSA-N 2 2 334.439 1.286 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000430659783 305061554 /nfs/dbraw/zinc/06/15/54/305061554.db2.gz BUKGEPVKPIDDIC-UONOGXRCSA-N 2 2 335.448 1.962 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C1 ZINC000430659783 305061555 /nfs/dbraw/zinc/06/15/55/305061555.db2.gz BUKGEPVKPIDDIC-UONOGXRCSA-N 2 2 335.448 1.962 20 0 EDADLP O=C(C[C@H]1C[NH2+]CCO1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000430708309 305063002 /nfs/dbraw/zinc/06/30/02/305063002.db2.gz IOTDSLBNYWSYTH-INIZCTEOSA-N 2 2 332.448 1.457 20 0 EDADLP C[C@@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)[NH2+]1 ZINC000430927982 305068616 /nfs/dbraw/zinc/06/86/16/305068616.db2.gz KGUGCQBXDHJALO-IYBDPMFKSA-N 2 2 346.475 1.140 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCOc2ccc(C(C)C)cc2)C1 ZINC000430938418 305069405 /nfs/dbraw/zinc/06/94/05/305069405.db2.gz HZQFFTDCOZBZAW-INIZCTEOSA-N 2 2 333.476 1.846 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccc(C(C)C)cc2)C1 ZINC000430938418 305069406 /nfs/dbraw/zinc/06/94/06/305069406.db2.gz HZQFFTDCOZBZAW-INIZCTEOSA-N 2 2 333.476 1.846 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000430941306 305069551 /nfs/dbraw/zinc/06/95/51/305069551.db2.gz VOGGZCNJEOBALH-KRWDZBQOSA-N 2 2 341.459 1.072 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000430941306 305069552 /nfs/dbraw/zinc/06/95/52/305069552.db2.gz VOGGZCNJEOBALH-KRWDZBQOSA-N 2 2 341.459 1.072 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430948750 305070075 /nfs/dbraw/zinc/07/00/75/305070075.db2.gz LDEWISFDHVJKGJ-JKIFEVAISA-N 2 2 344.459 1.810 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430948750 305070076 /nfs/dbraw/zinc/07/00/76/305070076.db2.gz LDEWISFDHVJKGJ-JKIFEVAISA-N 2 2 344.459 1.810 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2cc(Cl)ccc2OC)C1 ZINC000430957409 305070637 /nfs/dbraw/zinc/07/06/37/305070637.db2.gz SBXAPJAPYHFHPA-GFCCVEGCSA-N 2 2 325.840 1.506 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2cc(Cl)ccc2OC)C1 ZINC000430957409 305070638 /nfs/dbraw/zinc/07/06/38/305070638.db2.gz SBXAPJAPYHFHPA-GFCCVEGCSA-N 2 2 325.840 1.506 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430966197 305071517 /nfs/dbraw/zinc/07/15/17/305071517.db2.gz NZTKDGHMCVPATL-CABCVRRESA-N 2 2 344.459 1.682 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430966197 305071518 /nfs/dbraw/zinc/07/15/18/305071518.db2.gz NZTKDGHMCVPATL-CABCVRRESA-N 2 2 344.459 1.682 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000433858161 305113994 /nfs/dbraw/zinc/11/39/94/305113994.db2.gz HTZVIROBKQWBDN-GJZGRUSLSA-N 2 2 339.505 1.851 20 0 EDADLP CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000433858161 305113995 /nfs/dbraw/zinc/11/39/95/305113995.db2.gz HTZVIROBKQWBDN-GJZGRUSLSA-N 2 2 339.505 1.851 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC2CC2)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000434893764 305132685 /nfs/dbraw/zinc/13/26/85/305132685.db2.gz DDLCBURUGJIPMN-SJORKVTESA-N 2 2 338.496 1.223 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N(CC2CC2)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000434893764 305132686 /nfs/dbraw/zinc/13/26/86/305132686.db2.gz DDLCBURUGJIPMN-SJORKVTESA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+]1CCC[C@@H](NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000434893764 305132687 /nfs/dbraw/zinc/13/26/87/305132687.db2.gz DDLCBURUGJIPMN-SJORKVTESA-N 2 2 338.496 1.223 20 0 EDADLP CC[NH+]1CCC[C@@H](NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000434893764 305132688 /nfs/dbraw/zinc/13/26/88/305132688.db2.gz DDLCBURUGJIPMN-SJORKVTESA-N 2 2 338.496 1.223 20 0 EDADLP CCOc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000435377410 305139353 /nfs/dbraw/zinc/13/93/53/305139353.db2.gz BFDSFHJCXWALQR-GDBMZVCRSA-N 2 2 349.475 1.864 20 0 EDADLP CCOc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000435377410 305139354 /nfs/dbraw/zinc/13/93/54/305139354.db2.gz BFDSFHJCXWALQR-GDBMZVCRSA-N 2 2 349.475 1.864 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1ccnn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420750 305140268 /nfs/dbraw/zinc/14/02/68/305140268.db2.gz FWMHLGQGQURKKD-MRXNPFEDSA-N 2 2 328.464 1.781 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000435564404 305142453 /nfs/dbraw/zinc/14/24/53/305142453.db2.gz CHLVNYSVSMLCBJ-GJZGRUSLSA-N 2 2 332.448 1.553 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435562996 305142467 /nfs/dbraw/zinc/14/24/67/305142467.db2.gz BJZBWQDMBZRFEE-CABCVRRESA-N 2 2 332.448 1.410 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)COCC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435564195 305142505 /nfs/dbraw/zinc/14/25/05/305142505.db2.gz GQTHCFLJROHATO-OAHLLOKOSA-N 2 2 332.448 1.317 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C[C@@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559930 305142524 /nfs/dbraw/zinc/14/25/24/305142524.db2.gz RWEMXNCBRZJKQJ-LSDHHAIUSA-N 2 2 332.448 1.460 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)NC1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435683186 305145276 /nfs/dbraw/zinc/14/52/76/305145276.db2.gz PQUOPULDDZKFQN-HNNXBMFYSA-N 2 2 331.464 1.126 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000414899767 447349117 /nfs/dbraw/zinc/34/91/17/447349117.db2.gz HNCYDIHEBVSMFR-LZWOXQAQSA-N 2 2 332.448 1.861 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000414899767 447349119 /nfs/dbraw/zinc/34/91/19/447349119.db2.gz HNCYDIHEBVSMFR-LZWOXQAQSA-N 2 2 332.448 1.861 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C[NH+](C)Cc1ccccc1 ZINC000447658476 305283604 /nfs/dbraw/zinc/28/36/04/305283604.db2.gz GQVZJLUNEDFWRA-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C[NH+](C)Cc1ccccc1 ZINC000447658476 305283605 /nfs/dbraw/zinc/28/36/05/305283605.db2.gz GQVZJLUNEDFWRA-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000447658476 305283606 /nfs/dbraw/zinc/28/36/06/305283606.db2.gz GQVZJLUNEDFWRA-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000447658476 305283607 /nfs/dbraw/zinc/28/36/07/305283607.db2.gz GQVZJLUNEDFWRA-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cn2)cc1 ZINC000449089999 305306283 /nfs/dbraw/zinc/30/62/83/305306283.db2.gz FVJKCRUPROSYBI-QGZVFWFLSA-N 2 2 330.432 1.427 20 0 EDADLP CC1(C)OCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451247997 305335277 /nfs/dbraw/zinc/33/52/77/305335277.db2.gz YNCDKCPSWLLFMC-OAHLLOKOSA-N 2 2 337.489 1.549 20 0 EDADLP CS[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000451312965 305338210 /nfs/dbraw/zinc/33/82/10/305338210.db2.gz LASXWJXTYWCJSV-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP CS[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000451312965 305338211 /nfs/dbraw/zinc/33/82/11/305338211.db2.gz LASXWJXTYWCJSV-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP O[C@]1(C(F)F)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451421393 305345040 /nfs/dbraw/zinc/34/50/40/305345040.db2.gz BNAFNULJUWYYKE-SJLPKXTDSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@]1(C(F)F)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451421393 305345041 /nfs/dbraw/zinc/34/50/41/305345041.db2.gz BNAFNULJUWYYKE-SJLPKXTDSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@]1(C(F)F)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000451421393 305345042 /nfs/dbraw/zinc/34/50/42/305345042.db2.gz BNAFNULJUWYYKE-SJLPKXTDSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@]1(C(F)F)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451421393 305345043 /nfs/dbraw/zinc/34/50/43/305345043.db2.gz BNAFNULJUWYYKE-SJLPKXTDSA-N 2 2 340.414 1.979 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000452369334 305393921 /nfs/dbraw/zinc/39/39/21/305393921.db2.gz RSIDWBHJILDFMX-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000452369334 305393922 /nfs/dbraw/zinc/39/39/22/305393922.db2.gz RSIDWBHJILDFMX-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000452369334 305393923 /nfs/dbraw/zinc/39/39/23/305393923.db2.gz RSIDWBHJILDFMX-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000452369334 305393924 /nfs/dbraw/zinc/39/39/24/305393924.db2.gz RSIDWBHJILDFMX-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419689801 447350455 /nfs/dbraw/zinc/35/04/55/447350455.db2.gz BBJAIJNIVRCBDM-XJKSGUPXSA-N 2 2 332.452 1.570 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491518160 305576595 /nfs/dbraw/zinc/57/65/95/305576595.db2.gz BBUGBIBDWWBHDX-TWGQIWQCSA-N 2 2 342.443 1.922 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000377785842 447355786 /nfs/dbraw/zinc/35/57/86/447355786.db2.gz XLEMTJGPZRVBKO-QGZVFWFLSA-N 2 2 340.427 1.811 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccncc3F)CC2)CC1 ZINC000449023867 447360129 /nfs/dbraw/zinc/36/01/29/447360129.db2.gz VRRSCLSVRBLJPT-UHFFFAOYSA-N 2 2 348.466 1.987 20 0 EDADLP CCC(CC)[C@H](C(=O)NCCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000525168465 305822878 /nfs/dbraw/zinc/82/28/78/305822878.db2.gz WEIBXMYDVWKMMZ-QGZVFWFLSA-N 2 2 336.480 1.917 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)O ZINC000422129200 447362927 /nfs/dbraw/zinc/36/29/27/447362927.db2.gz ILKRTXZEPTWQSS-WBVHZDCISA-N 2 2 325.497 1.412 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)O ZINC000422129200 447362932 /nfs/dbraw/zinc/36/29/32/447362932.db2.gz ILKRTXZEPTWQSS-WBVHZDCISA-N 2 2 325.497 1.412 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414929444 447361274 /nfs/dbraw/zinc/36/12/74/447361274.db2.gz NXHQCESEOIWCCG-OFQRWUPVSA-N 2 2 339.480 1.154 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580278 306008052 /nfs/dbraw/zinc/00/80/52/306008052.db2.gz ZDBCIRYDNSCANL-NSHDSACASA-N 2 2 348.428 1.696 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580278 306008053 /nfs/dbraw/zinc/00/80/53/306008053.db2.gz ZDBCIRYDNSCANL-NSHDSACASA-N 2 2 348.428 1.696 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)cc[nH+]1 ZINC000539819778 306037272 /nfs/dbraw/zinc/03/72/72/306037272.db2.gz SAFGZGIOCKHTMW-UHFFFAOYSA-N 2 2 337.431 1.741 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)cc[nH+]1 ZINC000539819778 306037273 /nfs/dbraw/zinc/03/72/73/306037273.db2.gz SAFGZGIOCKHTMW-UHFFFAOYSA-N 2 2 337.431 1.741 20 0 EDADLP Cc1nnccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000547866302 306113958 /nfs/dbraw/zinc/11/39/58/306113958.db2.gz XNDNPMLXRBBKDG-UHFFFAOYSA-N 2 2 346.479 1.857 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000548283938 306123386 /nfs/dbraw/zinc/12/33/86/306123386.db2.gz FVPOCGVCOLVHJJ-HNNXBMFYSA-N 2 2 345.422 1.898 20 0 EDADLP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000552207533 306177603 /nfs/dbraw/zinc/17/76/03/306177603.db2.gz RXKJPRUFHRXRPE-SFHVURJKSA-N 2 2 326.400 1.059 20 0 EDADLP CC1(C)C[NH+](CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000553306416 306183650 /nfs/dbraw/zinc/18/36/50/306183650.db2.gz OLJACTOYKGTPBL-UHFFFAOYSA-N 2 2 348.466 1.406 20 0 EDADLP CC1(C)COC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000556334944 306210003 /nfs/dbraw/zinc/21/00/03/306210003.db2.gz HMZWFCAFQRLHPY-HNNXBMFYSA-N 2 2 332.448 1.135 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000556380509 306210588 /nfs/dbraw/zinc/21/05/88/306210588.db2.gz FOSQRGJQOHICPL-UHFFFAOYSA-N 2 2 330.354 1.979 20 0 EDADLP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cccc(Cn2cc[nH+]c2)c1 ZINC000556851122 306220020 /nfs/dbraw/zinc/22/00/20/306220020.db2.gz NMMQEBFMBJMPPR-LJQANCHMSA-N 2 2 340.427 1.118 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2nc3ccccc3n2C2CC2)[C@H](C[NH3+])C1 ZINC000557181568 306225595 /nfs/dbraw/zinc/22/55/95/306225595.db2.gz XASSQAHAWVGWSS-CQSZACIVSA-N 2 2 342.447 1.156 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2nc3ccccc3n2C2CC2)[C@H](C[NH3+])C1 ZINC000557181568 306225596 /nfs/dbraw/zinc/22/55/96/306225596.db2.gz XASSQAHAWVGWSS-CQSZACIVSA-N 2 2 342.447 1.156 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[NH+](C2CCCC2)CC1 ZINC000377815813 447370956 /nfs/dbraw/zinc/37/09/56/447370956.db2.gz ZYQIKFBLYJDOEQ-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[NH+](C2CCCC2)CC1 ZINC000377815813 447370962 /nfs/dbraw/zinc/37/09/62/447370962.db2.gz ZYQIKFBLYJDOEQ-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000377815813 447370969 /nfs/dbraw/zinc/37/09/69/447370969.db2.gz ZYQIKFBLYJDOEQ-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000377815813 447370976 /nfs/dbraw/zinc/37/09/76/447370976.db2.gz ZYQIKFBLYJDOEQ-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493696115 447371441 /nfs/dbraw/zinc/37/14/41/447371441.db2.gz WOMIYEDVOLZAQG-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493696115 447371446 /nfs/dbraw/zinc/37/14/46/447371446.db2.gz WOMIYEDVOLZAQG-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000456386928 447382401 /nfs/dbraw/zinc/38/24/01/447382401.db2.gz RTVFONKDLJWBQV-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000456386928 447382406 /nfs/dbraw/zinc/38/24/06/447382406.db2.gz RTVFONKDLJWBQV-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000456386928 447382413 /nfs/dbraw/zinc/38/24/13/447382413.db2.gz RTVFONKDLJWBQV-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000456386928 447382419 /nfs/dbraw/zinc/38/24/19/447382419.db2.gz RTVFONKDLJWBQV-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415024435 447386848 /nfs/dbraw/zinc/38/68/48/447386848.db2.gz NPFXOEBVUMEPIW-CYBMUJFWSA-N 2 2 341.415 1.239 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415024435 447386854 /nfs/dbraw/zinc/38/68/54/447386854.db2.gz NPFXOEBVUMEPIW-CYBMUJFWSA-N 2 2 341.415 1.239 20 0 EDADLP CC[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000422178485 447389330 /nfs/dbraw/zinc/38/93/30/447389330.db2.gz JODMUZGYEZGKAO-HOCLYGCPSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1cccc(F)c1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657070968 453661160 /nfs/dbraw/zinc/66/11/60/453661160.db2.gz COEGCAZDMMFPBI-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP Cc1cccc(F)c1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657070968 453661163 /nfs/dbraw/zinc/66/11/63/453661163.db2.gz COEGCAZDMMFPBI-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP CO[C@@H]([C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000458608827 447425088 /nfs/dbraw/zinc/42/50/88/447425088.db2.gz YYVRUSBQVGNBSP-CJNGLKHVSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000105130231 441236464 /nfs/dbraw/zinc/23/64/64/441236464.db2.gz MNSNIUHYXYSZAD-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000105130231 441236466 /nfs/dbraw/zinc/23/64/66/441236466.db2.gz MNSNIUHYXYSZAD-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)[nH+]c1 ZINC000105139184 441237452 /nfs/dbraw/zinc/23/74/52/441237452.db2.gz NWQOQNPDIUROJC-HOTGVXAUSA-N 2 2 349.479 1.600 20 0 EDADLP Cc1ccccc1C[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015295322 441199571 /nfs/dbraw/zinc/19/95/71/441199571.db2.gz MEYMKQFLYBPFII-UHFFFAOYSA-N 2 2 333.476 1.654 20 0 EDADLP Cc1ccccc1C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015295322 441199574 /nfs/dbraw/zinc/19/95/74/441199574.db2.gz MEYMKQFLYBPFII-UHFFFAOYSA-N 2 2 333.476 1.654 20 0 EDADLP CCOC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000060484697 441245934 /nfs/dbraw/zinc/24/59/34/441245934.db2.gz FBLMRMSHSWRODH-UHFFFAOYSA-N 2 2 345.487 1.832 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000048016968 441250915 /nfs/dbraw/zinc/25/09/15/441250915.db2.gz UEYSSIVMDNSWDJ-GASCZTMLSA-N 2 2 345.447 1.633 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000048016968 441250917 /nfs/dbraw/zinc/25/09/17/441250917.db2.gz UEYSSIVMDNSWDJ-GASCZTMLSA-N 2 2 345.447 1.633 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105215268 441242931 /nfs/dbraw/zinc/24/29/31/441242931.db2.gz WVWSYTHDVPREOY-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000063466825 441330681 /nfs/dbraw/zinc/33/06/81/441330681.db2.gz OEZBHGKHFGKXGW-UHFFFAOYSA-N 2 2 336.455 1.404 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000063466825 441330684 /nfs/dbraw/zinc/33/06/84/441330684.db2.gz OEZBHGKHFGKXGW-UHFFFAOYSA-N 2 2 336.455 1.404 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@@H](C)O1 ZINC000048456413 441306558 /nfs/dbraw/zinc/30/65/58/441306558.db2.gz PNEHHWUXFWMELW-HUUCEWRRSA-N 2 2 349.479 1.446 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NCC[N@H+](CC)C(C)C)C2)CC1 ZINC000106556163 441355378 /nfs/dbraw/zinc/35/53/78/441355378.db2.gz OFCURFPKYFDFCX-KRWDZBQOSA-N 2 2 339.528 1.138 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NCC[N@@H+](CC)C(C)C)C2)CC1 ZINC000106556163 441355380 /nfs/dbraw/zinc/35/53/80/441355380.db2.gz OFCURFPKYFDFCX-KRWDZBQOSA-N 2 2 339.528 1.138 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000052289725 441444714 /nfs/dbraw/zinc/44/47/14/441444714.db2.gz VHMVIIOXTZHQGK-UHFFFAOYSA-N 2 2 328.420 1.686 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066176597 441509849 /nfs/dbraw/zinc/50/98/49/441509849.db2.gz WGRSBZFEOBHTCZ-MRXNPFEDSA-N 2 2 340.431 1.647 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000112914542 441566462 /nfs/dbraw/zinc/56/64/62/441566462.db2.gz ZYKPRXIJGUYFFA-RBUKOAKNSA-N 2 2 346.519 1.678 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000112914542 441566465 /nfs/dbraw/zinc/56/64/65/441566465.db2.gz ZYKPRXIJGUYFFA-RBUKOAKNSA-N 2 2 346.519 1.678 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000112922272 441568346 /nfs/dbraw/zinc/56/83/46/441568346.db2.gz NLJARYSGPVQDEQ-GOSISDBHSA-N 2 2 346.519 1.508 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000112922272 441568349 /nfs/dbraw/zinc/56/83/49/441568349.db2.gz NLJARYSGPVQDEQ-GOSISDBHSA-N 2 2 346.519 1.508 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000112922272 441568351 /nfs/dbraw/zinc/56/83/51/441568351.db2.gz NLJARYSGPVQDEQ-GOSISDBHSA-N 2 2 346.519 1.508 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000112922272 441568354 /nfs/dbraw/zinc/56/83/54/441568354.db2.gz NLJARYSGPVQDEQ-GOSISDBHSA-N 2 2 346.519 1.508 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[NH+]1CCOCC1 ZINC000076055316 441588558 /nfs/dbraw/zinc/58/85/58/441588558.db2.gz WTWIGVAQAIHZBN-JKSUJKDBSA-N 2 2 349.479 1.656 20 0 EDADLP O=C(C[N@@H+]1CCCSCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000089984663 441610065 /nfs/dbraw/zinc/61/00/65/441610065.db2.gz KHUHQBDYQPBHDG-UHFFFAOYSA-N 2 2 339.530 1.831 20 0 EDADLP O=C(C[N@H+]1CCCSCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000089984663 441610067 /nfs/dbraw/zinc/61/00/67/441610067.db2.gz KHUHQBDYQPBHDG-UHFFFAOYSA-N 2 2 339.530 1.831 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+]C2CC[NH+](C)CC2)c(C)s1 ZINC000090580287 441635694 /nfs/dbraw/zinc/63/56/94/441635694.db2.gz CJQXLUFQTNFCPK-UHFFFAOYSA-N 2 2 331.507 1.327 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000090768806 441642599 /nfs/dbraw/zinc/64/25/99/441642599.db2.gz LDJBGYJPNLVBAB-RDBSUJKOSA-N 2 2 346.518 1.203 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000090768806 441642603 /nfs/dbraw/zinc/64/26/03/441642603.db2.gz LDJBGYJPNLVBAB-RDBSUJKOSA-N 2 2 346.518 1.203 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000113514713 441613432 /nfs/dbraw/zinc/61/34/32/441613432.db2.gz GTFNHUJSQLEJTA-ZWKOTPCHSA-N 2 2 344.503 1.513 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000113514713 441613435 /nfs/dbraw/zinc/61/34/35/441613435.db2.gz GTFNHUJSQLEJTA-ZWKOTPCHSA-N 2 2 344.503 1.513 20 0 EDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000076830551 441687892 /nfs/dbraw/zinc/68/78/92/441687892.db2.gz SULAUHFGFMQLDO-UHFFFAOYSA-N 2 2 341.459 1.520 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/c2ccnc(Cl)c2)CC1 ZINC000121438955 441705694 /nfs/dbraw/zinc/70/56/94/441705694.db2.gz GQHKAPLGGJLEQP-ONEGZZNKSA-N 2 2 336.867 1.890 20 0 EDADLP c1cn(-c2cc(N3CCCC[C@H]3C[NH+]3CCOCC3)ncn2)c[nH+]1 ZINC000077219665 441735960 /nfs/dbraw/zinc/73/59/60/441735960.db2.gz ANGJNIDSVCKQHS-HNNXBMFYSA-N 2 2 328.420 1.353 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)c[nH+]2)CCO1 ZINC000137183429 441753450 /nfs/dbraw/zinc/75/34/50/441753450.db2.gz WBUDZKHVXCVSAB-HOCLYGCPSA-N 2 2 344.459 1.313 20 0 EDADLP CCc1nc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000056984700 441766057 /nfs/dbraw/zinc/76/60/57/441766057.db2.gz AVEVGWAJKKSEPM-UHFFFAOYSA-N 2 2 338.521 1.732 20 0 EDADLP CCc1nc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000056984700 441766062 /nfs/dbraw/zinc/76/60/62/441766062.db2.gz AVEVGWAJKKSEPM-UHFFFAOYSA-N 2 2 338.521 1.732 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121869089 441799490 /nfs/dbraw/zinc/79/94/90/441799490.db2.gz VNKVBPFOEZFQHF-OAHLLOKOSA-N 2 2 334.464 1.269 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121869089 441799493 /nfs/dbraw/zinc/79/94/93/441799493.db2.gz VNKVBPFOEZFQHF-OAHLLOKOSA-N 2 2 334.464 1.269 20 0 EDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000122731658 441861171 /nfs/dbraw/zinc/86/11/71/441861171.db2.gz HKSOFPBSEIWVLP-UHFFFAOYSA-N 2 2 349.479 1.066 20 0 EDADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000122731658 441861175 /nfs/dbraw/zinc/86/11/75/441861175.db2.gz HKSOFPBSEIWVLP-UHFFFAOYSA-N 2 2 349.479 1.066 20 0 EDADLP C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173966035 441869614 /nfs/dbraw/zinc/86/96/14/441869614.db2.gz BBIGLEBLTQUMBF-FUHWJXTLSA-N 2 2 331.460 1.298 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173966035 441869619 /nfs/dbraw/zinc/86/96/19/441869619.db2.gz BBIGLEBLTQUMBF-FUHWJXTLSA-N 2 2 331.460 1.298 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)[nH+]1 ZINC000122216007 441840255 /nfs/dbraw/zinc/84/02/55/441840255.db2.gz NWCNCUHUSDZULK-GOEBONIOSA-N 2 2 330.432 1.580 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)[nH+]1 ZINC000122216007 441840261 /nfs/dbraw/zinc/84/02/61/441840261.db2.gz NWCNCUHUSDZULK-GOEBONIOSA-N 2 2 330.432 1.580 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124281181 441915031 /nfs/dbraw/zinc/91/50/31/441915031.db2.gz MFMNBEZPWPENKC-UHFFFAOYSA-N 2 2 343.431 1.593 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124281181 441915035 /nfs/dbraw/zinc/91/50/35/441915035.db2.gz MFMNBEZPWPENKC-UHFFFAOYSA-N 2 2 343.431 1.593 20 0 EDADLP c1ccc(N2CCOCC2)c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665169 441892171 /nfs/dbraw/zinc/89/21/71/441892171.db2.gz PVBHUTZGHZDQII-GOSISDBHSA-N 2 2 345.487 1.677 20 0 EDADLP c1ccc(N2CCOCC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665169 441892174 /nfs/dbraw/zinc/89/21/74/441892174.db2.gz PVBHUTZGHZDQII-GOSISDBHSA-N 2 2 345.487 1.677 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093821075 441896204 /nfs/dbraw/zinc/89/62/04/441896204.db2.gz YMDYBVKLPOHAHI-INIZCTEOSA-N 2 2 327.432 1.301 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093821075 441896210 /nfs/dbraw/zinc/89/62/10/441896210.db2.gz YMDYBVKLPOHAHI-INIZCTEOSA-N 2 2 327.432 1.301 20 0 EDADLP C[C@@H]1[C@H](C)SCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000118416334 441896407 /nfs/dbraw/zinc/89/64/07/441896407.db2.gz YCOFMSOOLZTEQD-CVEARBPZSA-N 2 2 348.516 1.946 20 0 EDADLP C[C@@H]1[C@H](C)SCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000118416334 441896411 /nfs/dbraw/zinc/89/64/11/441896411.db2.gz YCOFMSOOLZTEQD-CVEARBPZSA-N 2 2 348.516 1.946 20 0 EDADLP CC(C)CNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657672 441951159 /nfs/dbraw/zinc/95/11/59/441951159.db2.gz XTHFVJOZNBMPET-UHFFFAOYSA-N 2 2 332.492 1.793 20 0 EDADLP CC(C)CNC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657672 441951162 /nfs/dbraw/zinc/95/11/62/441951162.db2.gz XTHFVJOZNBMPET-UHFFFAOYSA-N 2 2 332.492 1.793 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000124814798 441956503 /nfs/dbraw/zinc/95/65/03/441956503.db2.gz NUXQILAWMPIHRA-SFHVURJKSA-N 2 2 330.476 1.727 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000124814798 441956506 /nfs/dbraw/zinc/95/65/06/441956506.db2.gz NUXQILAWMPIHRA-SFHVURJKSA-N 2 2 330.476 1.727 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000119932854 441978967 /nfs/dbraw/zinc/97/89/67/441978967.db2.gz PYAKSYCOYYOGMU-CRAIPNDOSA-N 3 2 344.503 1.693 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C[N@H+]1C1CC1 ZINC000119932854 441978969 /nfs/dbraw/zinc/97/89/69/441978969.db2.gz PYAKSYCOYYOGMU-CRAIPNDOSA-N 3 2 344.503 1.693 20 0 EDADLP CCOc1ncccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175195861 442015453 /nfs/dbraw/zinc/01/54/53/442015453.db2.gz YMVKYCHRLFXXME-UHFFFAOYSA-N 2 2 335.452 1.628 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000151213053 442024950 /nfs/dbraw/zinc/02/49/50/442024950.db2.gz ARQZBZPBJUCHNH-MJGOQNOKSA-N 2 2 332.492 1.604 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000151213053 442024955 /nfs/dbraw/zinc/02/49/55/442024955.db2.gz ARQZBZPBJUCHNH-MJGOQNOKSA-N 2 2 332.492 1.604 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162026975 442057283 /nfs/dbraw/zinc/05/72/83/442057283.db2.gz XYSMGVRPXFFACM-MJGOQNOKSA-N 3 2 347.503 1.827 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162026975 442057287 /nfs/dbraw/zinc/05/72/87/442057287.db2.gz XYSMGVRPXFFACM-MJGOQNOKSA-N 3 2 347.503 1.827 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000162026975 442057292 /nfs/dbraw/zinc/05/72/92/442057292.db2.gz XYSMGVRPXFFACM-MJGOQNOKSA-N 2 2 347.503 1.827 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000162026975 442057297 /nfs/dbraw/zinc/05/72/97/442057297.db2.gz XYSMGVRPXFFACM-MJGOQNOKSA-N 2 2 347.503 1.827 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000079733093 442082758 /nfs/dbraw/zinc/08/27/58/442082758.db2.gz OBDBENXYYXLCEP-NVXWUHKLSA-N 2 2 329.448 1.744 20 0 EDADLP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000162352957 442086032 /nfs/dbraw/zinc/08/60/32/442086032.db2.gz GPQNTCZQZYVIKL-QGZVFWFLSA-N 2 2 347.459 1.615 20 0 EDADLP COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000162352957 442086036 /nfs/dbraw/zinc/08/60/36/442086036.db2.gz GPQNTCZQZYVIKL-QGZVFWFLSA-N 2 2 347.459 1.615 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000162670176 442113330 /nfs/dbraw/zinc/11/33/30/442113330.db2.gz WNRFYDJJJHRILT-CQSZACIVSA-N 2 2 325.840 1.600 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCOc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000162670176 442113334 /nfs/dbraw/zinc/11/33/34/442113334.db2.gz WNRFYDJJJHRILT-CQSZACIVSA-N 2 2 325.840 1.600 20 0 EDADLP CCC(CC)(C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000120686240 442116455 /nfs/dbraw/zinc/11/64/55/442116455.db2.gz VNYKNPCEDNIXFZ-ZNMIVQPWSA-N 2 2 330.469 1.026 20 0 EDADLP CCC(CC)(C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)OC ZINC000120686240 442116456 /nfs/dbraw/zinc/11/64/56/442116456.db2.gz VNYKNPCEDNIXFZ-ZNMIVQPWSA-N 2 2 330.469 1.026 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151832055 442127671 /nfs/dbraw/zinc/12/76/71/442127671.db2.gz CHZKBIBUPWSXMW-HNNXBMFYSA-N 2 2 342.443 1.702 20 0 EDADLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCOCC1 ZINC000121190320 442189306 /nfs/dbraw/zinc/18/93/06/442189306.db2.gz OCXJGTVUYALTJZ-OAHLLOKOSA-N 2 2 347.463 1.070 20 0 EDADLP C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000097257351 442190312 /nfs/dbraw/zinc/19/03/12/442190312.db2.gz VUPPPFADOAZQKA-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCOCC1 ZINC000097257351 442190314 /nfs/dbraw/zinc/19/03/14/442190314.db2.gz VUPPPFADOAZQKA-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121225346 442194057 /nfs/dbraw/zinc/19/40/57/442194057.db2.gz QECODZZMRGQPHP-HKUYNNGSSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121225346 442194060 /nfs/dbraw/zinc/19/40/60/442194060.db2.gz QECODZZMRGQPHP-HKUYNNGSSA-N 2 2 345.487 1.878 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)[NH+](C)C ZINC000164602519 442199572 /nfs/dbraw/zinc/19/95/72/442199572.db2.gz DXGVOYKIKBWJOH-RKVPGOIHSA-N 2 2 348.491 1.898 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000121299992 442200931 /nfs/dbraw/zinc/20/09/31/442200931.db2.gz NLPVRHCIMAGFKQ-UHFFFAOYSA-N 2 2 341.459 1.516 20 0 EDADLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(=O)N1CCOCC1 ZINC000165194966 442207454 /nfs/dbraw/zinc/20/74/54/442207454.db2.gz TVYOYNWPQYMGMR-SFHVURJKSA-N 2 2 346.475 1.273 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127568774 442212103 /nfs/dbraw/zinc/21/21/03/442212103.db2.gz RFZMJBWVGCEAMW-QZTJIDSGSA-N 2 2 331.460 1.139 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127568774 442212104 /nfs/dbraw/zinc/21/21/04/442212104.db2.gz RFZMJBWVGCEAMW-QZTJIDSGSA-N 2 2 331.460 1.139 20 0 EDADLP O=C([C@@H]1CCCn2cc[nH+]c21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000176529809 442231651 /nfs/dbraw/zinc/23/16/51/442231651.db2.gz OJESMCINCDAYCJ-QGZVFWFLSA-N 2 2 346.475 1.864 20 0 EDADLP O=C([C@H]1CCCn2cc[nH+]c21)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000176529822 442231693 /nfs/dbraw/zinc/23/16/93/442231693.db2.gz OJESMCINCDAYCJ-KRWDZBQOSA-N 2 2 346.475 1.864 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000170808661 442267325 /nfs/dbraw/zinc/26/73/25/442267325.db2.gz WHAZXUPVQNMHDM-OAHLLOKOSA-N 2 2 330.432 1.572 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000170808661 442267327 /nfs/dbraw/zinc/26/73/27/442267327.db2.gz WHAZXUPVQNMHDM-OAHLLOKOSA-N 2 2 330.432 1.572 20 0 EDADLP CC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCCO1 ZINC000128522880 442271469 /nfs/dbraw/zinc/27/14/69/442271469.db2.gz COMWJVGFPDFHBN-JKSUJKDBSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnccn1 ZINC000128715559 442283853 /nfs/dbraw/zinc/28/38/53/442283853.db2.gz AVHUCXPSDZLAJJ-HNNXBMFYSA-N 2 2 340.431 1.261 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC000128963021 442296527 /nfs/dbraw/zinc/29/65/27/442296527.db2.gz LQKIFSGQEZWKED-YIONKMFJSA-N 2 2 333.436 1.758 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)no1 ZINC000128963021 442296529 /nfs/dbraw/zinc/29/65/29/442296529.db2.gz LQKIFSGQEZWKED-YIONKMFJSA-N 2 2 333.436 1.758 20 0 EDADLP COC(=O)Nc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177113686 442299501 /nfs/dbraw/zinc/29/95/01/442299501.db2.gz HMSGHCGMKRASQN-UHFFFAOYSA-N 2 2 348.447 1.621 20 0 EDADLP C[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[NH+]1CCSCC1 ZINC000154095532 442321427 /nfs/dbraw/zinc/32/14/27/442321427.db2.gz GJHDLUNWLJZHLC-AWEZNQCLSA-N 2 2 336.505 1.639 20 0 EDADLP COc1cccc([C@H]2C[C@H]2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177152458 442306119 /nfs/dbraw/zinc/30/61/19/442306119.db2.gz UISZEADVIUMPFO-RTBURBONSA-N 2 2 345.487 1.941 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171686964 442370341 /nfs/dbraw/zinc/37/03/41/442370341.db2.gz LOOCMZRANMROGR-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000171686964 442370343 /nfs/dbraw/zinc/37/03/43/442370343.db2.gz LOOCMZRANMROGR-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000171686964 442370346 /nfs/dbraw/zinc/37/03/46/442370346.db2.gz LOOCMZRANMROGR-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000171686964 442370349 /nfs/dbraw/zinc/37/03/49/442370349.db2.gz LOOCMZRANMROGR-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CO[C@]1(C)C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000155163415 442379251 /nfs/dbraw/zinc/37/92/51/442379251.db2.gz WYYPBNXEAVVROP-IEBWSBKVSA-N 2 2 339.524 1.576 20 0 EDADLP CO[C@]1(C)C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000155163415 442379252 /nfs/dbraw/zinc/37/92/52/442379252.db2.gz WYYPBNXEAVVROP-IEBWSBKVSA-N 2 2 339.524 1.576 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000177831856 442389360 /nfs/dbraw/zinc/38/93/60/442389360.db2.gz XTRCDUWDFKFUAE-APWZRJJASA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000177831856 442389362 /nfs/dbraw/zinc/38/93/62/442389362.db2.gz XTRCDUWDFKFUAE-APWZRJJASA-N 2 2 345.487 1.906 20 0 EDADLP C[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000177552778 442356828 /nfs/dbraw/zinc/35/68/28/442356828.db2.gz AFUOAMMBROLNLZ-DLBZAZTESA-N 2 2 334.464 1.795 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156203089 442454906 /nfs/dbraw/zinc/45/49/06/442454906.db2.gz QHTUJWFLEXHMRR-IRXDYDNUSA-N 2 2 326.444 1.735 20 0 EDADLP CC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000134552702 442494258 /nfs/dbraw/zinc/49/42/58/442494258.db2.gz CHJUEVCRWUKYJM-IEBWSBKVSA-N 2 2 331.460 1.536 20 0 EDADLP CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000134552702 442494263 /nfs/dbraw/zinc/49/42/63/442494263.db2.gz CHJUEVCRWUKYJM-IEBWSBKVSA-N 2 2 331.460 1.536 20 0 EDADLP COC1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[NH2+]CC1 ZINC000178853627 442504020 /nfs/dbraw/zinc/50/40/20/442504020.db2.gz IEECTTIDAFTVKD-UHFFFAOYSA-N 2 2 342.443 1.511 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134940965 442539042 /nfs/dbraw/zinc/53/90/42/442539042.db2.gz FZQURBOLBMSKJK-YQVWRLOYSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134940965 442539048 /nfs/dbraw/zinc/53/90/48/442539048.db2.gz FZQURBOLBMSKJK-YQVWRLOYSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134940965 442539052 /nfs/dbraw/zinc/53/90/52/442539052.db2.gz FZQURBOLBMSKJK-YQVWRLOYSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134940965 442539058 /nfs/dbraw/zinc/53/90/58/442539058.db2.gz FZQURBOLBMSKJK-YQVWRLOYSA-N 3 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134940965 442539061 /nfs/dbraw/zinc/53/90/61/442539061.db2.gz FZQURBOLBMSKJK-YQVWRLOYSA-N 2 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134940965 442539065 /nfs/dbraw/zinc/53/90/65/442539065.db2.gz FZQURBOLBMSKJK-YQVWRLOYSA-N 2 2 348.535 1.488 20 0 EDADLP COCC(=O)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000191944152 442545349 /nfs/dbraw/zinc/54/53/49/442545349.db2.gz PIXSEWZJPHBDAD-UHFFFAOYSA-N 2 2 328.416 1.471 20 0 EDADLP C(C[NH+]1CCCC1)C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000179189424 442593533 /nfs/dbraw/zinc/59/35/33/442593533.db2.gz UFBCNOHLGWNJNF-UHFFFAOYSA-N 2 2 333.480 1.941 20 0 EDADLP C(C[NH+]1CCCC1)C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000179189424 442593537 /nfs/dbraw/zinc/59/35/37/442593537.db2.gz UFBCNOHLGWNJNF-UHFFFAOYSA-N 2 2 333.480 1.941 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000192112405 442595406 /nfs/dbraw/zinc/59/54/06/442595406.db2.gz AXIMLODGXSPKPJ-IHRRRGAJSA-N 2 2 325.478 1.563 20 0 EDADLP Cn1c(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)nnc1C1CC1 ZINC000179251634 442606088 /nfs/dbraw/zinc/60/60/88/442606088.db2.gz PKRDKYZHYFDTPQ-MRXNPFEDSA-N 2 2 332.496 1.294 20 0 EDADLP Cn1c(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)nnc1C1CC1 ZINC000179251634 442606092 /nfs/dbraw/zinc/60/60/92/442606092.db2.gz PKRDKYZHYFDTPQ-MRXNPFEDSA-N 2 2 332.496 1.294 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000179396526 442641092 /nfs/dbraw/zinc/64/10/92/442641092.db2.gz OIKYYPONWIHFKZ-OAHLLOKOSA-N 2 2 344.459 1.514 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[NH+](C)C)C[C@@H](C)O1 ZINC000180642214 442641625 /nfs/dbraw/zinc/64/16/25/442641625.db2.gz WUQBULWOPQKWJR-HUUCEWRRSA-N 2 2 334.464 1.979 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[N@@H+](C)C(C)C)c2)CC1 ZINC000187147508 442656297 /nfs/dbraw/zinc/65/62/97/442656297.db2.gz AXDAYKOMXHCFMX-UHFFFAOYSA-N 2 2 346.475 1.629 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[N@H+](C)C(C)C)c2)CC1 ZINC000187147508 442656300 /nfs/dbraw/zinc/65/63/00/442656300.db2.gz AXDAYKOMXHCFMX-UHFFFAOYSA-N 2 2 346.475 1.629 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000157754024 442610898 /nfs/dbraw/zinc/61/08/98/442610898.db2.gz GLKAMGGLFSQHJV-WBVHZDCISA-N 2 2 348.447 1.355 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000157754024 442610904 /nfs/dbraw/zinc/61/09/04/442610904.db2.gz GLKAMGGLFSQHJV-WBVHZDCISA-N 2 2 348.447 1.355 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H](O)c2ccsc2)CC1 ZINC000179306058 442617517 /nfs/dbraw/zinc/61/75/17/442617517.db2.gz IIJOQTBJFOFRGQ-OAHLLOKOSA-N 2 2 340.493 1.107 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1)[NH+](C)C ZINC000157886739 442624435 /nfs/dbraw/zinc/62/44/35/442624435.db2.gz RTKVOTWJNTXSPB-GOSISDBHSA-N 2 2 349.475 1.558 20 0 EDADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181028176 442675708 /nfs/dbraw/zinc/67/57/08/442675708.db2.gz QQKRTTQOMXPOGO-GOSISDBHSA-N 2 2 339.524 1.970 20 0 EDADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000181035561 442676836 /nfs/dbraw/zinc/67/68/36/442676836.db2.gz YIIMXKKDLDHNRB-LSDHHAIUSA-N 2 2 337.489 1.640 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cn3c(cccc3C)[nH+]2)C1(C)C ZINC000188194862 442722988 /nfs/dbraw/zinc/72/29/88/442722988.db2.gz GPUDPQIZTUXMME-KBXCAEBGSA-N 2 2 330.432 1.791 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193299693 442730963 /nfs/dbraw/zinc/73/09/63/442730963.db2.gz FSBXXNLFAQPGMJ-MRXNPFEDSA-N 2 2 332.448 1.643 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193299693 442730965 /nfs/dbraw/zinc/73/09/65/442730965.db2.gz FSBXXNLFAQPGMJ-MRXNPFEDSA-N 2 2 332.448 1.643 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182597394 442792796 /nfs/dbraw/zinc/79/27/96/442792796.db2.gz XQIYCAMPLRWGMX-HRBLRVMOSA-N 2 2 336.524 1.485 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182597394 442792799 /nfs/dbraw/zinc/79/27/99/442792799.db2.gz XQIYCAMPLRWGMX-HRBLRVMOSA-N 2 2 336.524 1.485 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182597394 442792802 /nfs/dbraw/zinc/79/28/02/442792802.db2.gz XQIYCAMPLRWGMX-HRBLRVMOSA-N 2 2 336.524 1.485 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182597394 442792805 /nfs/dbraw/zinc/79/28/05/442792805.db2.gz XQIYCAMPLRWGMX-HRBLRVMOSA-N 2 2 336.524 1.485 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182475110 442773299 /nfs/dbraw/zinc/77/32/99/442773299.db2.gz GDMYMFOAROCFOR-QGZVFWFLSA-N 2 2 329.444 1.498 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182475110 442773303 /nfs/dbraw/zinc/77/33/03/442773303.db2.gz GDMYMFOAROCFOR-QGZVFWFLSA-N 2 2 329.444 1.498 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000246387401 442777942 /nfs/dbraw/zinc/77/79/42/442777942.db2.gz IUBWFTPZGPVKES-VQHPVUNQSA-N 2 2 340.512 1.467 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000246387401 442777944 /nfs/dbraw/zinc/77/79/44/442777944.db2.gz IUBWFTPZGPVKES-VQHPVUNQSA-N 2 2 340.512 1.467 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246420636 442780381 /nfs/dbraw/zinc/78/03/81/442780381.db2.gz CAQQQQCJTCIZSE-JSGCOSHPSA-N 2 2 333.398 1.956 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246420636 442780386 /nfs/dbraw/zinc/78/03/86/442780386.db2.gz CAQQQQCJTCIZSE-JSGCOSHPSA-N 2 2 333.398 1.956 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246420636 442780389 /nfs/dbraw/zinc/78/03/89/442780389.db2.gz CAQQQQCJTCIZSE-JSGCOSHPSA-N 2 2 333.398 1.956 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246427408 442781132 /nfs/dbraw/zinc/78/11/32/442781132.db2.gz MJROLWRCDTYJFK-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246427408 442781133 /nfs/dbraw/zinc/78/11/33/442781133.db2.gz MJROLWRCDTYJFK-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)[nH+]c1 ZINC000188798201 442816834 /nfs/dbraw/zinc/81/68/34/442816834.db2.gz XWZXBSRYGPZTHN-UHFFFAOYSA-N 2 2 340.431 1.158 20 0 EDADLP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000268077013 442838323 /nfs/dbraw/zinc/83/83/23/442838323.db2.gz FCPXXDVUSIIDLK-UKRRQHHQSA-N 2 2 337.489 1.602 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000247375094 442850247 /nfs/dbraw/zinc/85/02/47/442850247.db2.gz OEEXOMISAIHLHN-OAGGEKHMSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000247375094 442850252 /nfs/dbraw/zinc/85/02/52/442850252.db2.gz OEEXOMISAIHLHN-OAGGEKHMSA-N 2 2 326.485 1.077 20 0 EDADLP CN(Cc1cccc(F)c1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179314422 318456636 /nfs/dbraw/zinc/45/66/36/318456636.db2.gz UPAXIKNOOJTFAJ-UHFFFAOYSA-N 2 2 336.455 1.993 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000248583566 442902864 /nfs/dbraw/zinc/90/28/64/442902864.db2.gz PIMDFQJEEWTIAD-OALUTQOASA-N 2 2 345.487 1.219 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000248583566 442902867 /nfs/dbraw/zinc/90/28/67/442902867.db2.gz PIMDFQJEEWTIAD-OALUTQOASA-N 2 2 345.487 1.219 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@@H]1n1cc[nH+]c1 ZINC000268287116 442932819 /nfs/dbraw/zinc/93/28/19/442932819.db2.gz ASFSBGBVMMUDOZ-HIFRSBDPSA-N 2 2 345.451 1.475 20 0 EDADLP O=C(NCC[NH+]1CCCCC1)c1ccccc1C[NH+]1CCOCC1 ZINC000265842161 442942145 /nfs/dbraw/zinc/94/21/45/442942145.db2.gz SHMLZXFBZYAMEY-UHFFFAOYSA-N 2 2 331.460 1.735 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000183750840 442959462 /nfs/dbraw/zinc/95/94/62/442959462.db2.gz CCSOZIGQHMSPHO-KRWDZBQOSA-N 2 2 343.537 1.799 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000183750840 442959467 /nfs/dbraw/zinc/95/94/67/442959467.db2.gz CCSOZIGQHMSPHO-KRWDZBQOSA-N 2 2 343.537 1.799 20 0 EDADLP CC[C@@H](C)NC(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249570863 442989154 /nfs/dbraw/zinc/98/91/54/442989154.db2.gz OFADWHAOQJYDQV-APWZRJJASA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@@H](C)NC(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249570863 442989156 /nfs/dbraw/zinc/98/91/56/442989156.db2.gz OFADWHAOQJYDQV-APWZRJJASA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249570863 442989157 /nfs/dbraw/zinc/98/91/57/442989157.db2.gz OFADWHAOQJYDQV-APWZRJJASA-N 2 2 333.476 1.470 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249570863 442989159 /nfs/dbraw/zinc/98/91/59/442989159.db2.gz OFADWHAOQJYDQV-APWZRJJASA-N 2 2 333.476 1.470 20 0 EDADLP CC[NH+]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000265867884 442951462 /nfs/dbraw/zinc/95/14/62/442951462.db2.gz YFKXUOMDPGHUDE-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP CC[NH+]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000265867884 442951464 /nfs/dbraw/zinc/95/14/64/442951464.db2.gz YFKXUOMDPGHUDE-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CO)c3ccc(F)cc3)cn2)CC1 ZINC000268539969 443026724 /nfs/dbraw/zinc/02/67/24/443026724.db2.gz KINYUXOUFJQCKK-KRWDZBQOSA-N 2 2 345.422 1.191 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000190152289 443064423 /nfs/dbraw/zinc/06/44/23/443064423.db2.gz BWYJYZVSKFUINQ-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000190152289 443064427 /nfs/dbraw/zinc/06/44/27/443064427.db2.gz BWYJYZVSKFUINQ-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)cc[nH+]1 ZINC000184762382 443073476 /nfs/dbraw/zinc/07/34/76/443073476.db2.gz HZKMKJJTVOKFLI-UHFFFAOYSA-N 2 2 349.442 1.903 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268802245 443112791 /nfs/dbraw/zinc/11/27/91/443112791.db2.gz BKMXSHSXHRUSHE-GDZNZVCISA-N 2 2 337.489 1.728 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268802245 443112794 /nfs/dbraw/zinc/11/27/94/443112794.db2.gz BKMXSHSXHRUSHE-GDZNZVCISA-N 2 2 337.489 1.728 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000298621034 318832869 /nfs/dbraw/zinc/83/28/69/318832869.db2.gz RXUVIHKNSPFFFB-UHFFFAOYSA-N 2 2 343.431 1.063 20 0 EDADLP CC[NH+]1CCC([NH2+]CCS(=O)(=O)NCc2ccccc2)CC1 ZINC000268825168 443119210 /nfs/dbraw/zinc/11/92/10/443119210.db2.gz TXYRSCYZQFRWKD-UHFFFAOYSA-N 2 2 325.478 1.180 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CC(C)C)CC2)cc1F ZINC000237273936 443167144 /nfs/dbraw/zinc/16/71/44/443167144.db2.gz PEMFHJHBBVESLC-MRXNPFEDSA-N 2 2 337.439 1.852 20 0 EDADLP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261911317 443173979 /nfs/dbraw/zinc/17/39/79/443173979.db2.gz JCMPSRIEYHQNGH-UPJWGTAASA-N 2 2 332.370 1.692 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(N2CCOCC2)c1 ZINC000268938912 443153596 /nfs/dbraw/zinc/15/35/96/443153596.db2.gz SFNUHMDQLJMZFZ-QFBILLFUSA-N 2 2 332.492 1.420 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(N2CCOCC2)c1 ZINC000268938912 443153598 /nfs/dbraw/zinc/15/35/98/443153598.db2.gz SFNUHMDQLJMZFZ-QFBILLFUSA-N 2 2 332.492 1.420 20 0 EDADLP C[N@H+](Cc1ccccc1N1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000353362029 319106926 /nfs/dbraw/zinc/10/69/26/319106926.db2.gz XMQNUCZQVULJGD-UHFFFAOYSA-N 2 2 333.476 1.412 20 0 EDADLP C[N@@H+](Cc1ccccc1N1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000353362029 319106927 /nfs/dbraw/zinc/10/69/27/319106927.db2.gz XMQNUCZQVULJGD-UHFFFAOYSA-N 2 2 333.476 1.412 20 0 EDADLP CN(C)C(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000411954111 319216354 /nfs/dbraw/zinc/21/63/54/319216354.db2.gz QUSLRSRPEFIYJJ-GOSISDBHSA-N 2 2 344.503 1.609 20 0 EDADLP CN(C)C(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000411954111 319216356 /nfs/dbraw/zinc/21/63/56/319216356.db2.gz QUSLRSRPEFIYJJ-GOSISDBHSA-N 2 2 344.503 1.609 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413367533 319264148 /nfs/dbraw/zinc/26/41/48/319264148.db2.gz DSBHHYZHUGGTON-INIZCTEOSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413367533 319264151 /nfs/dbraw/zinc/26/41/51/319264151.db2.gz DSBHHYZHUGGTON-INIZCTEOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415736057 319368012 /nfs/dbraw/zinc/36/80/12/319368012.db2.gz FHZXDZACJKSAGM-GWCFXTLKSA-N 2 2 341.415 1.337 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000415974280 319387095 /nfs/dbraw/zinc/38/70/95/319387095.db2.gz QRXYUOVDANJNMU-UHFFFAOYSA-N 3 2 333.480 1.554 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1)c1ccccc1 ZINC000266895854 443284162 /nfs/dbraw/zinc/28/41/62/443284162.db2.gz FFABICPGKKCSAI-HOTGVXAUSA-N 2 2 341.459 1.808 20 0 EDADLP CO[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000191361364 443284873 /nfs/dbraw/zinc/28/48/73/443284873.db2.gz RBDFYXXLRITILY-NVXWUHKLSA-N 2 2 338.496 1.412 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ncnc4c3cnn4C)CC2)CC1 ZINC000269350945 443289906 /nfs/dbraw/zinc/28/99/06/443289906.db2.gz RRYXYRSIHCTCOY-UHFFFAOYSA-N 2 2 343.479 1.358 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264471223 443303699 /nfs/dbraw/zinc/30/36/99/443303699.db2.gz GLYYHULKEVQRTE-INIZCTEOSA-N 2 2 325.416 1.968 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266965610 443304997 /nfs/dbraw/zinc/30/49/97/443304997.db2.gz XZAPGLMTBARBPZ-INIZCTEOSA-N 2 2 327.432 1.372 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416868446 319468235 /nfs/dbraw/zinc/46/82/35/319468235.db2.gz UAXHERDAOMJTRH-KRWDZBQOSA-N 2 2 332.448 1.022 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416886526 319468965 /nfs/dbraw/zinc/46/89/65/319468965.db2.gz GUPUFJCGDOSUJB-KRWDZBQOSA-N 2 2 348.491 1.877 20 0 EDADLP COc1ccc([C@@H](NC(=O)N2CC[NH2+][C@H](C)C2)c2[nH+]ccn2C)cc1 ZINC000416904471 319470361 /nfs/dbraw/zinc/47/03/61/319470361.db2.gz HPBHOSSHDQHUDU-CZUORRHYSA-N 2 2 343.431 1.521 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000416939173 319479554 /nfs/dbraw/zinc/47/95/54/319479554.db2.gz MNYIIRDEYWSZRU-HZPDHXFCSA-N 2 2 331.464 1.999 20 0 EDADLP CC(C)C[C@@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)[NH+]1CCOCC1 ZINC000416942818 319481132 /nfs/dbraw/zinc/48/11/32/319481132.db2.gz SKCSEELCZDBGSB-RDJZCZTQSA-N 2 2 344.475 1.076 20 0 EDADLP CC1(C)Cc2cc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)ccc2O1 ZINC000264557430 443325537 /nfs/dbraw/zinc/32/55/37/443325537.db2.gz DYYTYSAZNJWSMU-INIZCTEOSA-N 2 2 331.460 1.830 20 0 EDADLP CC1(C)Cc2cc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)ccc2O1 ZINC000264557430 443325542 /nfs/dbraw/zinc/32/55/42/443325542.db2.gz DYYTYSAZNJWSMU-INIZCTEOSA-N 2 2 331.460 1.830 20 0 EDADLP CC[N@@H+]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000267167978 443365041 /nfs/dbraw/zinc/36/50/41/443365041.db2.gz BPFJXNJHHQSRKE-UHFFFAOYSA-N 2 2 331.420 1.761 20 0 EDADLP CC[N@H+]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000267167978 443365044 /nfs/dbraw/zinc/36/50/44/443365044.db2.gz BPFJXNJHHQSRKE-UHFFFAOYSA-N 2 2 331.420 1.761 20 0 EDADLP C[NH+](C)C/C=C/C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000264675157 443369852 /nfs/dbraw/zinc/36/98/52/443369852.db2.gz ZPMDGBOSRZSYNR-RMKNXTFCSA-N 2 2 344.459 1.324 20 0 EDADLP C[C@H]1C[N@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccn2)CCCO1 ZINC000278664832 443395177 /nfs/dbraw/zinc/39/51/77/443395177.db2.gz IWJRVVCAWAMWTG-RDJZCZTQSA-N 2 2 329.448 1.985 20 0 EDADLP C[C@H]1C[N@@H+](CCCN[C@H](c2[nH]cc[nH+]2)c2ccccn2)CCCO1 ZINC000278664832 443395179 /nfs/dbraw/zinc/39/51/79/443395179.db2.gz IWJRVVCAWAMWTG-RDJZCZTQSA-N 2 2 329.448 1.985 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000267417065 443449842 /nfs/dbraw/zinc/44/98/42/443449842.db2.gz VZHAOEXFYIKWOK-IEBWSBKVSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000267417065 443449843 /nfs/dbraw/zinc/44/98/43/443449843.db2.gz VZHAOEXFYIKWOK-IEBWSBKVSA-N 2 2 345.487 1.688 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)cc(C)[nH+]1 ZINC000422972559 319743269 /nfs/dbraw/zinc/74/32/69/319743269.db2.gz MEIIBHSCEMUHKW-INIZCTEOSA-N 2 2 326.400 1.131 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)n(C)n1 ZINC000267476538 443471309 /nfs/dbraw/zinc/47/13/09/443471309.db2.gz ZMRSHCQCTDWUII-UONOGXRCSA-N 2 2 328.420 1.437 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)n(C)n1 ZINC000267476538 443471311 /nfs/dbraw/zinc/47/13/11/443471311.db2.gz ZMRSHCQCTDWUII-UONOGXRCSA-N 2 2 328.420 1.437 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000278882920 443471905 /nfs/dbraw/zinc/47/19/05/443471905.db2.gz CTWBTQOXZVZIBY-HNNXBMFYSA-N 2 2 330.436 1.682 20 0 EDADLP C[C@H]([NH3+])CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423223760 319757108 /nfs/dbraw/zinc/75/71/08/319757108.db2.gz HMFHAQPCYTULDT-JOYOIKCWSA-N 2 2 347.278 1.995 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc([C@@H]3CC[NH2+]C3)n[nH]1)C2 ZINC000279097889 443512421 /nfs/dbraw/zinc/51/24/21/443512421.db2.gz WZHHMJNJCPAUQJ-GFCCVEGCSA-N 2 2 342.447 1.542 20 0 EDADLP Cc1c([C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)nnn1-c1cccc(Cl)c1 ZINC000423406759 319772692 /nfs/dbraw/zinc/77/26/92/319772692.db2.gz LEZPTHHLJYNJFP-JVLSTEMRSA-N 2 2 335.839 1.460 20 0 EDADLP CCCNC(=O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271237562 443497165 /nfs/dbraw/zinc/49/71/65/443497165.db2.gz CYQWWJUCNGGGAL-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP CCCNC(=O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271237562 443497168 /nfs/dbraw/zinc/49/71/68/443497168.db2.gz CYQWWJUCNGGGAL-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286137621 443653727 /nfs/dbraw/zinc/65/37/27/443653727.db2.gz ZFPIFJDJEYTICQ-CVEARBPZSA-N 2 2 339.399 1.147 20 0 EDADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286137621 443653734 /nfs/dbraw/zinc/65/37/34/443653734.db2.gz ZFPIFJDJEYTICQ-CVEARBPZSA-N 2 2 339.399 1.147 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000440123838 320063827 /nfs/dbraw/zinc/06/38/27/320063827.db2.gz YMUKGGFDCLDAJB-HNNXBMFYSA-N 2 2 344.484 1.894 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000444268284 320123573 /nfs/dbraw/zinc/12/35/73/320123573.db2.gz MHSJHLGIJNOTGJ-WMZOPIPTSA-N 3 2 334.508 1.053 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449376127 320185245 /nfs/dbraw/zinc/18/52/45/320185245.db2.gz KTIGHGLATJDVKA-BXUZGUMPSA-N 2 2 340.265 1.683 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000449376127 320185248 /nfs/dbraw/zinc/18/52/48/320185248.db2.gz KTIGHGLATJDVKA-BXUZGUMPSA-N 2 2 340.265 1.683 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000449391794 320187816 /nfs/dbraw/zinc/18/78/16/320187816.db2.gz ZKBBEUZCYMCZCA-RDJZCZTQSA-N 2 2 349.475 1.849 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000449391794 320187817 /nfs/dbraw/zinc/18/78/17/320187817.db2.gz ZKBBEUZCYMCZCA-RDJZCZTQSA-N 2 2 349.475 1.849 20 0 EDADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449393723 320187956 /nfs/dbraw/zinc/18/79/56/320187956.db2.gz CROAMBVRFYTITR-IAGOWNOFSA-N 2 2 325.497 1.604 20 0 EDADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449393723 320187959 /nfs/dbraw/zinc/18/79/59/320187959.db2.gz CROAMBVRFYTITR-IAGOWNOFSA-N 2 2 325.497 1.604 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C[C@@H]1C ZINC000449397554 320188375 /nfs/dbraw/zinc/18/83/75/320188375.db2.gz QODWACDMGGEPAI-MWDXBVQZSA-N 2 2 326.481 1.791 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C[C@@H]1C ZINC000449397554 320188378 /nfs/dbraw/zinc/18/83/78/320188378.db2.gz QODWACDMGGEPAI-MWDXBVQZSA-N 2 2 326.481 1.791 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000449399269 320188862 /nfs/dbraw/zinc/18/88/62/320188862.db2.gz ZEMGIJOCSRDKEK-QGZVFWFLSA-N 2 2 332.423 1.948 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000449399269 320188864 /nfs/dbraw/zinc/18/88/64/320188864.db2.gz ZEMGIJOCSRDKEK-QGZVFWFLSA-N 2 2 332.423 1.948 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[NH+]1CCOCC1 ZINC000449723616 320202095 /nfs/dbraw/zinc/20/20/95/320202095.db2.gz GAZUSRSRBXTHTC-CHWSQXEVSA-N 2 2 339.402 1.519 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(-n2ccnn2)c1 ZINC000453274417 320261880 /nfs/dbraw/zinc/26/18/80/320261880.db2.gz WFEQDPXWEBSXPW-CRAIPNDOSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(-n2ccnn2)c1 ZINC000453274417 320261881 /nfs/dbraw/zinc/26/18/81/320261881.db2.gz WFEQDPXWEBSXPW-CRAIPNDOSA-N 2 2 329.448 1.765 20 0 EDADLP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000457780418 320335891 /nfs/dbraw/zinc/33/58/91/320335891.db2.gz SNGOFUFGYKQSQB-GOSISDBHSA-N 2 2 328.460 1.819 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CC(F)(F)C1 ZINC000490901580 320364470 /nfs/dbraw/zinc/36/44/70/320364470.db2.gz OVJDDRIBHPNHFN-UHFFFAOYSA-N 2 2 332.439 1.699 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CC(F)(F)C1 ZINC000490901580 320364471 /nfs/dbraw/zinc/36/44/71/320364471.db2.gz OVJDDRIBHPNHFN-UHFFFAOYSA-N 2 2 332.439 1.699 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000492135290 320376506 /nfs/dbraw/zinc/37/65/06/320376506.db2.gz VIKJEOMFRZXJBJ-ZWKOTPCHSA-N 2 2 348.491 1.699 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000492135290 320376507 /nfs/dbraw/zinc/37/65/07/320376507.db2.gz VIKJEOMFRZXJBJ-ZWKOTPCHSA-N 2 2 348.491 1.699 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)nc2)C1 ZINC000492894675 320390357 /nfs/dbraw/zinc/39/03/57/320390357.db2.gz HQGYLZAWDOUQMG-BYPUDFOVSA-N 2 2 326.404 1.597 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000291003347 443730332 /nfs/dbraw/zinc/73/03/32/443730332.db2.gz UFJLRGFVXWZCSO-CRAIPNDOSA-N 2 2 340.427 1.808 20 0 EDADLP CCCCn1nnnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000525307308 320489638 /nfs/dbraw/zinc/48/96/38/320489638.db2.gz PLDMFANSIPXMAA-UHFFFAOYSA-N 2 2 336.484 1.550 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000527534796 320511631 /nfs/dbraw/zinc/51/16/31/320511631.db2.gz IWPDAXKQMYQECF-HZPDHXFCSA-N 2 2 332.448 1.423 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3nnc(C)s3)CC2)CC1 ZINC000616381364 450406993 /nfs/dbraw/zinc/40/69/93/450406993.db2.gz NTJRQRUNEYUWHN-UHFFFAOYSA-N 2 2 337.493 1.479 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3nnc(C)s3)CC2)CC1 ZINC000616381364 450406997 /nfs/dbraw/zinc/40/69/97/450406997.db2.gz NTJRQRUNEYUWHN-UHFFFAOYSA-N 2 2 337.493 1.479 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000529289136 320571876 /nfs/dbraw/zinc/57/18/76/320571876.db2.gz YJKMIPKFWDJRDK-MRXNPFEDSA-N 2 2 347.463 1.058 20 0 EDADLP CCCCNc1cc(N2CC[NH+](Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000280937276 443778738 /nfs/dbraw/zinc/77/87/38/443778738.db2.gz IBQJBTGOXHOWQY-UHFFFAOYSA-N 2 2 341.463 1.988 20 0 EDADLP C[NH+](C)CCN1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000298489280 443781929 /nfs/dbraw/zinc/78/19/29/443781929.db2.gz JCHAGCCBUCEWKQ-UHFFFAOYSA-N 2 2 341.459 1.251 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000298642220 443826335 /nfs/dbraw/zinc/82/63/35/443826335.db2.gz COUIXYNULJREAB-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP C[N@@H+]1CCCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000298707823 443845598 /nfs/dbraw/zinc/84/55/98/443845598.db2.gz BDEHMQLIVKTOAF-GOSISDBHSA-N 2 2 346.475 1.407 20 0 EDADLP C[N@H+]1CCCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000298707823 443845599 /nfs/dbraw/zinc/84/55/99/443845599.db2.gz BDEHMQLIVKTOAF-GOSISDBHSA-N 2 2 346.475 1.407 20 0 EDADLP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862935 320708344 /nfs/dbraw/zinc/70/83/44/320708344.db2.gz RRQPERQUNGYGRO-ZDUSSCGKSA-N 2 2 326.404 1.775 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288538649 443912034 /nfs/dbraw/zinc/91/20/34/443912034.db2.gz SFQTUFKZWSRLHH-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP CC[N@H+]1CCN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288538649 443912039 /nfs/dbraw/zinc/91/20/39/443912039.db2.gz SFQTUFKZWSRLHH-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277314938 443962652 /nfs/dbraw/zinc/96/26/52/443962652.db2.gz KZIIRIVHOIHBIR-INIZCTEOSA-N 2 2 330.457 1.617 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000277314938 443962655 /nfs/dbraw/zinc/96/26/55/443962655.db2.gz KZIIRIVHOIHBIR-INIZCTEOSA-N 2 2 330.457 1.617 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[N@H+](C)C1 ZINC000285418356 443977489 /nfs/dbraw/zinc/97/74/89/443977489.db2.gz HTCVPPSMJIACSH-PMPSAXMXSA-N 2 2 347.463 1.021 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[N@@H+](C)C1 ZINC000285418356 443977492 /nfs/dbraw/zinc/97/74/92/443977492.db2.gz HTCVPPSMJIACSH-PMPSAXMXSA-N 2 2 347.463 1.021 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C[NH+](C)C ZINC000293338642 443987136 /nfs/dbraw/zinc/98/71/36/443987136.db2.gz ZLWWIHLBRCGELY-CYBMUJFWSA-N 2 2 329.404 1.125 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299394635 444036086 /nfs/dbraw/zinc/03/60/86/444036086.db2.gz RTXLVNJEUJCENG-UHFFFAOYSA-N 2 2 343.431 1.655 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cn2cc[nH+]c12 ZINC000293510985 444038414 /nfs/dbraw/zinc/03/84/14/444038414.db2.gz VMGDYLDYZOLLMJ-HNNXBMFYSA-N 2 2 339.399 1.054 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccccc1 ZINC000285591714 444040127 /nfs/dbraw/zinc/04/01/27/444040127.db2.gz TXDQOTXOGGDTID-LPHOPBHVSA-N 2 2 342.443 1.921 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccccc1 ZINC000285591714 444040129 /nfs/dbraw/zinc/04/01/29/444040129.db2.gz TXDQOTXOGGDTID-LPHOPBHVSA-N 2 2 342.443 1.921 20 0 EDADLP COc1ccc(F)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000293522640 444042144 /nfs/dbraw/zinc/04/21/44/444042144.db2.gz ISCHWNIQUZLJNS-KRWDZBQOSA-N 2 2 337.439 1.867 20 0 EDADLP COc1ccc(F)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000293522640 444042148 /nfs/dbraw/zinc/04/21/48/444042148.db2.gz ISCHWNIQUZLJNS-KRWDZBQOSA-N 2 2 337.439 1.867 20 0 EDADLP Nc1[nH+]cnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1Cl ZINC000277833731 444047960 /nfs/dbraw/zinc/04/79/60/444047960.db2.gz PSWPJHNGLKAKEM-ZDUSSCGKSA-N 2 2 333.823 1.891 20 0 EDADLP Nc1[nH+]cnc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1Cl ZINC000277833731 444047963 /nfs/dbraw/zinc/04/79/63/444047963.db2.gz PSWPJHNGLKAKEM-ZDUSSCGKSA-N 2 2 333.823 1.891 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)C(F)(F)F)CC1 ZINC000555188910 320964240 /nfs/dbraw/zinc/96/42/40/320964240.db2.gz RXTBHAPVABOCFA-UHFFFAOYSA-N 2 2 338.418 1.900 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000299496523 444062916 /nfs/dbraw/zinc/06/29/16/444062916.db2.gz IPNWVUCPZKTIDQ-ZDUSSCGKSA-N 2 2 326.404 1.975 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NCCC[NH+]1CCOCC1)C(F)(F)F ZINC000561070650 321032326 /nfs/dbraw/zinc/03/23/26/321032326.db2.gz RSRMURYNVZSIHZ-LBPRGKRZSA-N 2 2 348.369 1.295 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000562500258 321059854 /nfs/dbraw/zinc/05/98/54/321059854.db2.gz ZKSQNHXGCLLYNM-QGZVFWFLSA-N 2 2 344.459 1.343 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000562500258 321059855 /nfs/dbraw/zinc/05/98/55/321059855.db2.gz ZKSQNHXGCLLYNM-QGZVFWFLSA-N 2 2 344.459 1.343 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000562500258 321059856 /nfs/dbraw/zinc/05/98/56/321059856.db2.gz ZKSQNHXGCLLYNM-QGZVFWFLSA-N 2 2 344.459 1.343 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000562500258 321059857 /nfs/dbraw/zinc/05/98/57/321059857.db2.gz ZKSQNHXGCLLYNM-QGZVFWFLSA-N 2 2 344.459 1.343 20 0 EDADLP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000562814287 321078043 /nfs/dbraw/zinc/07/80/43/321078043.db2.gz YWXOCERRENNCNP-OWCLPIDISA-N 2 2 325.416 1.253 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCC[N@H+](C[C@@H]2CCCNC2=O)CC1 ZINC000564421800 321130289 /nfs/dbraw/zinc/13/02/89/321130289.db2.gz OIALQPCBOPAAGO-INIZCTEOSA-N 2 2 333.480 1.498 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCC[N@@H+](C[C@@H]2CCCNC2=O)CC1 ZINC000564421800 321130291 /nfs/dbraw/zinc/13/02/91/321130291.db2.gz OIALQPCBOPAAGO-INIZCTEOSA-N 2 2 333.480 1.498 20 0 EDADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000289264325 444091017 /nfs/dbraw/zinc/09/10/17/444091017.db2.gz OPOXFHSVXIXCAX-GJZGRUSLSA-N 2 2 335.423 1.751 20 0 EDADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000289264325 444091019 /nfs/dbraw/zinc/09/10/19/444091019.db2.gz OPOXFHSVXIXCAX-GJZGRUSLSA-N 2 2 335.423 1.751 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000564434909 321131414 /nfs/dbraw/zinc/13/14/14/321131414.db2.gz VMUCSJLPIVYNML-BMFZPTHFSA-N 2 2 334.468 1.069 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000564434909 321131415 /nfs/dbraw/zinc/13/14/15/321131415.db2.gz VMUCSJLPIVYNML-BMFZPTHFSA-N 2 2 334.468 1.069 20 0 EDADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000564976042 321162524 /nfs/dbraw/zinc/16/25/24/321162524.db2.gz RPGYWUBNTFCKKX-RBUKOAKNSA-N 2 2 336.476 1.171 20 0 EDADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000564976042 321162526 /nfs/dbraw/zinc/16/25/26/321162526.db2.gz RPGYWUBNTFCKKX-RBUKOAKNSA-N 2 2 336.476 1.171 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CC[NH+](CCc4ccccc4)CC3)c2C1 ZINC000299610350 444094245 /nfs/dbraw/zinc/09/42/45/444094245.db2.gz OCVVUEMZITVMJF-UHFFFAOYSA-N 2 2 337.471 1.829 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CC[NH+](CCc4ccccc4)CC3)c2C1 ZINC000299610350 444094249 /nfs/dbraw/zinc/09/42/49/444094249.db2.gz OCVVUEMZITVMJF-UHFFFAOYSA-N 2 2 337.471 1.829 20 0 EDADLP O=C(C[NH+]1CCC(O)CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000299590883 444088574 /nfs/dbraw/zinc/08/85/74/444088574.db2.gz WFYSYZAEUKPCLK-UHFFFAOYSA-N 2 2 349.500 1.631 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC12CCOCC2 ZINC000565245828 321179020 /nfs/dbraw/zinc/17/90/20/321179020.db2.gz NRPMTPURADURAT-ZDUSSCGKSA-N 2 2 329.404 1.554 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3([S@](C)=O)CCC3)c2cc1C ZINC000565300501 321180314 /nfs/dbraw/zinc/18/03/14/321180314.db2.gz RNBXAVGFMYFOEF-MYYSRTQBSA-N 2 2 349.500 1.905 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000566173768 321220731 /nfs/dbraw/zinc/22/07/31/321220731.db2.gz PWZUQADJROOVKZ-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000566173768 321220733 /nfs/dbraw/zinc/22/07/33/321220733.db2.gz PWZUQADJROOVKZ-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566414768 321228638 /nfs/dbraw/zinc/22/86/38/321228638.db2.gz RSBGAYMNTYDPHF-IKGGRYGDSA-N 2 2 348.491 1.921 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566414768 321228639 /nfs/dbraw/zinc/22/86/39/321228639.db2.gz RSBGAYMNTYDPHF-IKGGRYGDSA-N 2 2 348.491 1.921 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(NC3CC3)nc2)CC1 ZINC000569410512 321324110 /nfs/dbraw/zinc/32/41/10/321324110.db2.gz LUVKHOLHVFLBHP-UHFFFAOYSA-N 2 2 331.464 1.412 20 0 EDADLP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000571115810 321372826 /nfs/dbraw/zinc/37/28/26/321372826.db2.gz ILWZBECWELRVCB-CQSZACIVSA-N 2 2 328.420 1.609 20 0 EDADLP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000571115810 321372828 /nfs/dbraw/zinc/37/28/28/321372828.db2.gz ILWZBECWELRVCB-CQSZACIVSA-N 2 2 328.420 1.609 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC[C@@H](C[NH3+])C1)CC2 ZINC000571322241 321382614 /nfs/dbraw/zinc/38/26/14/321382614.db2.gz YXAGSYDCVQXPON-AWEZNQCLSA-N 2 2 347.459 1.259 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC[C@@H](C[NH3+])C1)CC2 ZINC000571322241 321382616 /nfs/dbraw/zinc/38/26/16/321382616.db2.gz YXAGSYDCVQXPON-AWEZNQCLSA-N 2 2 347.459 1.259 20 0 EDADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000571408019 321386363 /nfs/dbraw/zinc/38/63/63/321386363.db2.gz OUZPURMUYSBQNY-BNOWGMLFSA-N 2 2 338.477 1.688 20 0 EDADLP CC(C)[N@H+](C[C@H](O)COc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289470884 444152438 /nfs/dbraw/zinc/15/24/38/444152438.db2.gz HHUDMVUTIZWEQS-ROUUACIJSA-N 2 2 336.476 1.592 20 0 EDADLP CC(C)[N@@H+](C[C@H](O)COc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289470884 444152442 /nfs/dbraw/zinc/15/24/42/444152442.db2.gz HHUDMVUTIZWEQS-ROUUACIJSA-N 2 2 336.476 1.592 20 0 EDADLP CC(C)[NH+](C[C@H](O)COc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289470884 444152443 /nfs/dbraw/zinc/15/24/43/444152443.db2.gz HHUDMVUTIZWEQS-ROUUACIJSA-N 2 2 336.476 1.592 20 0 EDADLP CC(C)[NH+](C[C@H](O)COc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289470884 444152447 /nfs/dbraw/zinc/15/24/47/444152447.db2.gz HHUDMVUTIZWEQS-ROUUACIJSA-N 2 2 336.476 1.592 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1coc2c1C(=O)CCC2 ZINC000294914146 444157198 /nfs/dbraw/zinc/15/71/98/444157198.db2.gz JLKGVAMBRWZCNW-UHFFFAOYSA-N 2 2 347.459 1.897 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1coc2c1C(=O)CCC2 ZINC000294914146 444157200 /nfs/dbraw/zinc/15/72/00/444157200.db2.gz JLKGVAMBRWZCNW-UHFFFAOYSA-N 2 2 347.459 1.897 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000573940261 321464359 /nfs/dbraw/zinc/46/43/59/321464359.db2.gz LTGRMFIHLMSGHT-ZIAGYGMSSA-N 2 2 338.477 1.173 20 0 EDADLP CN(CCC[N@H+](C)CC(=O)Nc1cc(F)ccc1F)CC[NH+](C)C ZINC000289543702 444168577 /nfs/dbraw/zinc/16/85/77/444168577.db2.gz WWDNSNWILHKUHO-UHFFFAOYSA-N 2 2 342.434 1.719 20 0 EDADLP CN(CCC[N@@H+](C)CC(=O)Nc1cc(F)ccc1F)CC[NH+](C)C ZINC000289543702 444168580 /nfs/dbraw/zinc/16/85/80/444168580.db2.gz WWDNSNWILHKUHO-UHFFFAOYSA-N 2 2 342.434 1.719 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3CC(=O)OC)[C@@H](C)C1 ZINC000301397955 444169182 /nfs/dbraw/zinc/16/91/82/444169182.db2.gz AJKFRPCJGHZRHB-GXTWGEPZSA-N 2 2 346.435 1.166 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)c2[nH+]cnc3c2cnn3CC(=O)OC)[C@@H](C)C1 ZINC000301397955 444169184 /nfs/dbraw/zinc/16/91/84/444169184.db2.gz AJKFRPCJGHZRHB-GXTWGEPZSA-N 2 2 346.435 1.166 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)Cn1cccn1 ZINC000574392841 321482312 /nfs/dbraw/zinc/48/23/12/321482312.db2.gz INGFMRBLEGPXRM-IBGZPJMESA-N 2 2 343.475 1.046 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000285837261 444124650 /nfs/dbraw/zinc/12/46/50/444124650.db2.gz VXMMTHXDIHZSHQ-HKUYNNGSSA-N 2 2 344.503 1.008 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000285837261 444124651 /nfs/dbraw/zinc/12/46/51/444124651.db2.gz VXMMTHXDIHZSHQ-HKUYNNGSSA-N 2 2 344.503 1.008 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000289851317 444211309 /nfs/dbraw/zinc/21/13/09/444211309.db2.gz CGQCDZKVEXFVFG-DOMZBBRYSA-N 2 2 325.840 1.519 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000301598015 444181369 /nfs/dbraw/zinc/18/13/69/444181369.db2.gz HDSJYJDAEOCPGA-HOTGVXAUSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000301598015 444181373 /nfs/dbraw/zinc/18/13/73/444181373.db2.gz HDSJYJDAEOCPGA-HOTGVXAUSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000301598015 444181374 /nfs/dbraw/zinc/18/13/74/444181374.db2.gz HDSJYJDAEOCPGA-HOTGVXAUSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000301598015 444181378 /nfs/dbraw/zinc/18/13/78/444181378.db2.gz HDSJYJDAEOCPGA-HOTGVXAUSA-N 2 2 333.480 1.828 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301830503 444193060 /nfs/dbraw/zinc/19/30/60/444193060.db2.gz PUBMNPINBCLJIU-UHFFFAOYSA-N 2 2 344.463 1.043 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301830503 444193061 /nfs/dbraw/zinc/19/30/61/444193061.db2.gz PUBMNPINBCLJIU-UHFFFAOYSA-N 2 2 344.463 1.043 20 0 EDADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCCC[NH+]1CCC(O)CC1 ZINC000301859404 444193848 /nfs/dbraw/zinc/19/38/48/444193848.db2.gz DDVGOCXXSQSLML-UHFFFAOYSA-N 2 2 332.452 1.840 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1cc(N3CCC[C@@H]3CO)nc[nH+]1)C2 ZINC000301968490 444198643 /nfs/dbraw/zinc/19/86/43/444198643.db2.gz YIEVWLUPDKFXNK-UONOGXRCSA-N 2 2 328.420 1.370 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1cc(N3CCC[C@@H]3CO)[nH+]cn1)C2 ZINC000301968490 444198644 /nfs/dbraw/zinc/19/86/44/444198644.db2.gz YIEVWLUPDKFXNK-UONOGXRCSA-N 2 2 328.420 1.370 20 0 EDADLP CN(CCC[N@H+](C)Cc1cn(Cc2cccnc2)nn1)CC[NH+](C)C ZINC000290181791 444252053 /nfs/dbraw/zinc/25/20/53/444252053.db2.gz NUEVAYMKSQVRHB-UHFFFAOYSA-N 2 2 345.495 1.037 20 0 EDADLP CN(CCC[N@@H+](C)Cc1cn(Cc2cccnc2)nn1)CC[NH+](C)C ZINC000290181791 444252055 /nfs/dbraw/zinc/25/20/55/444252055.db2.gz NUEVAYMKSQVRHB-UHFFFAOYSA-N 2 2 345.495 1.037 20 0 EDADLP c1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000302875012 444228980 /nfs/dbraw/zinc/22/89/80/444228980.db2.gz DTNVMZDSOQXURT-OAHLLOKOSA-N 2 2 331.464 1.990 20 0 EDADLP c1nc(N2CCCC2)cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]1 ZINC000302875012 444228983 /nfs/dbraw/zinc/22/89/83/444228983.db2.gz DTNVMZDSOQXURT-OAHLLOKOSA-N 2 2 331.464 1.990 20 0 EDADLP Cc1nc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]c1C ZINC000577077729 321621688 /nfs/dbraw/zinc/62/16/88/321621688.db2.gz ODNOOAMTJKVCJD-UHFFFAOYSA-N 2 2 342.447 1.250 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@H](C)C[C@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000577176388 321630053 /nfs/dbraw/zinc/63/00/53/321630053.db2.gz ROHJOZTUFBSVBE-ZENOOKHLSA-N 2 2 345.447 1.943 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000303315459 444236549 /nfs/dbraw/zinc/23/65/49/444236549.db2.gz TYHBZSSBEVWHCK-MRXNPFEDSA-N 2 2 333.480 1.148 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1C[C@@H](C)O ZINC000290641077 444304958 /nfs/dbraw/zinc/30/49/58/444304958.db2.gz JNAQTHWAINDDSF-UKRRQHHQSA-N 2 2 331.420 1.643 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1C[C@@H](C)O ZINC000290641077 444304959 /nfs/dbraw/zinc/30/49/59/444304959.db2.gz JNAQTHWAINDDSF-UKRRQHHQSA-N 2 2 331.420 1.643 20 0 EDADLP CC(C)([NH3+])CCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000315954398 444307635 /nfs/dbraw/zinc/30/76/35/444307635.db2.gz KMZPEALJWTXPMD-CYBMUJFWSA-N 2 2 325.478 1.755 20 0 EDADLP C[N@H+]1CCN(CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1(C)C ZINC000290517589 444290547 /nfs/dbraw/zinc/29/05/47/444290547.db2.gz YSVISXRZKACFBV-MRXNPFEDSA-N 2 2 328.464 1.510 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]ccc2OC)CC[N@@H+]1CCOC ZINC000297535053 444297865 /nfs/dbraw/zinc/29/78/65/444297865.db2.gz APNFUXQLSDPNEW-OAHLLOKOSA-N 2 2 336.436 1.342 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]ccc2OC)CC[N@H+]1CCOC ZINC000297535053 444297868 /nfs/dbraw/zinc/29/78/68/444297868.db2.gz APNFUXQLSDPNEW-OAHLLOKOSA-N 2 2 336.436 1.342 20 0 EDADLP C[NH+]1CCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000297545901 444299003 /nfs/dbraw/zinc/29/90/03/444299003.db2.gz JHABAKRLDRMCGM-UHFFFAOYSA-N 2 2 333.823 1.983 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCC2=CC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000578504954 321785668 /nfs/dbraw/zinc/78/56/68/321785668.db2.gz CYQWJRYPRIIKGH-UHFFFAOYSA-N 3 2 349.523 1.156 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)Cc2[nH+]ccn2C)n1 ZINC000328643069 444411226 /nfs/dbraw/zinc/41/12/26/444411226.db2.gz RHEKSVLUCCNXEA-WMLDXEAASA-N 2 2 344.463 2.462 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@]3(C1)CCC[NH2+]C3)CCC2 ZINC000579333040 321919523 /nfs/dbraw/zinc/91/95/23/321919523.db2.gz NJFNYWQVXWPURS-MAUKXSAKSA-N 2 2 331.464 1.854 20 0 EDADLP Cc1cccn2c(C[NH2+]CCc3nnnn3-c3ccccc3)c[nH+]c12 ZINC000337852786 444437185 /nfs/dbraw/zinc/43/71/85/444437185.db2.gz JXIRDAYLGIUYCU-UHFFFAOYSA-N 2 2 333.399 1.951 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCCCC[NH2+]3)c2)CC1 ZINC000580332206 322038924 /nfs/dbraw/zinc/03/89/24/322038924.db2.gz JIHJOQYDTFOUGS-GOSISDBHSA-N 2 2 330.476 1.905 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000580340101 322039728 /nfs/dbraw/zinc/03/97/28/322039728.db2.gz DBKGFVNLHMWDIO-NXHRZFHOSA-N 2 2 346.475 1.357 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CCOCC1 ZINC000580429069 322049694 /nfs/dbraw/zinc/04/96/94/322049694.db2.gz NEOBUGNMNSYIKR-BFYDXBDKSA-N 2 2 334.464 1.912 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000580626157 322074862 /nfs/dbraw/zinc/07/48/62/322074862.db2.gz PHHDMGNPRVQLIA-OAHLLOKOSA-N 2 2 335.452 1.299 20 0 EDADLP COC[C@]1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC[NH2+]1 ZINC000580708957 322085102 /nfs/dbraw/zinc/08/51/02/322085102.db2.gz VDAGWBCSZHWONC-UHOSZYNNSA-N 3 2 331.460 1.601 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580822833 322099407 /nfs/dbraw/zinc/09/94/07/322099407.db2.gz LVFYFSQFVGZALN-QGZVFWFLSA-N 2 2 334.464 1.186 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580822833 322099411 /nfs/dbraw/zinc/09/94/11/322099411.db2.gz LVFYFSQFVGZALN-QGZVFWFLSA-N 2 2 334.464 1.186 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccc3ccccc3n2)C[C@H](C)O1 ZINC000580828710 322100507 /nfs/dbraw/zinc/10/05/07/322100507.db2.gz IIVDUXZFNNCJBL-JTDSTZFVSA-N 2 2 343.471 1.837 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccc3ccccc3n2)C[C@H](C)O1 ZINC000580828710 322100509 /nfs/dbraw/zinc/10/05/09/322100509.db2.gz IIVDUXZFNNCJBL-JTDSTZFVSA-N 2 2 343.471 1.837 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000580831650 322101315 /nfs/dbraw/zinc/10/13/15/322101315.db2.gz AAUSQOVMKHPYON-INIZCTEOSA-N 2 2 336.480 1.960 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)c2ccccn2)[C@H](C[NH3+])C1 ZINC000581359321 322167909 /nfs/dbraw/zinc/16/79/09/322167909.db2.gz LYQGCSKXQQUTBP-SJLPKXTDSA-N 2 2 339.443 1.455 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)c2ccccn2)[C@H](C[NH3+])C1 ZINC000581359321 322167913 /nfs/dbraw/zinc/16/79/13/322167913.db2.gz LYQGCSKXQQUTBP-SJLPKXTDSA-N 2 2 339.443 1.455 20 0 EDADLP C[C@]1(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC[NH2+]C1 ZINC000581726273 322214117 /nfs/dbraw/zinc/21/41/17/322214117.db2.gz GNDGJAJSLUSSJE-IBGZPJMESA-N 2 2 331.460 1.575 20 0 EDADLP C[C@]1(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC[NH2+]C1 ZINC000581726273 322214119 /nfs/dbraw/zinc/21/41/19/322214119.db2.gz GNDGJAJSLUSSJE-IBGZPJMESA-N 2 2 331.460 1.575 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@@H+]1C ZINC000340921369 444578026 /nfs/dbraw/zinc/57/80/26/444578026.db2.gz KUGKUBZEMRRVGD-GOEBONIOSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@H+]1C ZINC000340921369 444578031 /nfs/dbraw/zinc/57/80/31/444578031.db2.gz KUGKUBZEMRRVGD-GOEBONIOSA-N 2 2 331.464 1.964 20 0 EDADLP CC(C)(C)CC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338164195 444543312 /nfs/dbraw/zinc/54/33/12/444543312.db2.gz SLCTXRKYJJPTLG-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C)[C@H](c3[nH+]ccn3C)C1)C2 ZINC000329554404 444627220 /nfs/dbraw/zinc/62/72/20/444627220.db2.gz GSORHMVUFNIDBI-ZBFHGGJFSA-N 2 2 342.447 1.003 20 0 EDADLP CN(C(=O)c1ncn(C)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000329564025 444630112 /nfs/dbraw/zinc/63/01/12/444630112.db2.gz KAIUIKKJNMOCEZ-CVEARBPZSA-N 2 2 348.495 1.224 20 0 EDADLP CN(C(=O)c1ncn(C)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000329564025 444630117 /nfs/dbraw/zinc/63/01/17/444630117.db2.gz KAIUIKKJNMOCEZ-CVEARBPZSA-N 2 2 348.495 1.224 20 0 EDADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000338323189 444632984 /nfs/dbraw/zinc/63/29/84/444632984.db2.gz QKJZSQWMECBUIL-MRXNPFEDSA-N 2 2 326.400 1.842 20 0 EDADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC000338323189 444632989 /nfs/dbraw/zinc/63/29/89/444632989.db2.gz QKJZSQWMECBUIL-MRXNPFEDSA-N 2 2 326.400 1.842 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)nn1 ZINC000338305255 444621236 /nfs/dbraw/zinc/62/12/36/444621236.db2.gz UUAFJQPQWCMKTH-HIFRSBDPSA-N 2 2 348.426 1.263 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)nn1 ZINC000338305255 444621239 /nfs/dbraw/zinc/62/12/39/444621239.db2.gz UUAFJQPQWCMKTH-HIFRSBDPSA-N 2 2 348.426 1.263 20 0 EDADLP Cc1ccc2nc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cn2c1 ZINC000341044964 444650242 /nfs/dbraw/zinc/65/02/42/444650242.db2.gz QBNBOIYLWRWYEX-OAHLLOKOSA-N 2 2 329.448 1.320 20 0 EDADLP Cc1ccc2nc(C[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)cn2c1 ZINC000341044964 444650247 /nfs/dbraw/zinc/65/02/47/444650247.db2.gz QBNBOIYLWRWYEX-OAHLLOKOSA-N 2 2 329.448 1.320 20 0 EDADLP c1c[nH+]c([C@H]2CCCN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)[nH]1 ZINC000333294430 444654820 /nfs/dbraw/zinc/65/48/20/444654820.db2.gz RWXNKZADTJKAJJ-UONOGXRCSA-N 2 2 328.420 2.175 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CCN1C ZINC000333342750 444659137 /nfs/dbraw/zinc/65/91/37/444659137.db2.gz YNFJUVROFDVGCK-HOTGVXAUSA-N 2 2 333.480 1.533 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000341101175 444674984 /nfs/dbraw/zinc/67/49/84/444674984.db2.gz BBNPGLYBVOMGLM-YJBOKZPZSA-N 2 2 331.460 1.333 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000341101175 444674988 /nfs/dbraw/zinc/67/49/88/444674988.db2.gz BBNPGLYBVOMGLM-YJBOKZPZSA-N 2 2 331.460 1.333 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000341164840 444705465 /nfs/dbraw/zinc/70/54/65/444705465.db2.gz QZDORPFMJCJGCW-NVXWUHKLSA-N 2 2 332.496 1.000 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000341164840 444705466 /nfs/dbraw/zinc/70/54/66/444705466.db2.gz QZDORPFMJCJGCW-NVXWUHKLSA-N 2 2 332.496 1.000 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC000342522764 444729939 /nfs/dbraw/zinc/72/99/39/444729939.db2.gz HRWUMRASHCGEIA-CJNGLKHVSA-N 2 2 336.505 1.684 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cs1 ZINC000342522764 444729944 /nfs/dbraw/zinc/72/99/44/444729944.db2.gz HRWUMRASHCGEIA-CJNGLKHVSA-N 2 2 336.505 1.684 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)cs1 ZINC000342522764 444729949 /nfs/dbraw/zinc/72/99/49/444729949.db2.gz HRWUMRASHCGEIA-CJNGLKHVSA-N 2 2 336.505 1.684 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)cs1 ZINC000342522764 444729952 /nfs/dbraw/zinc/72/99/52/444729952.db2.gz HRWUMRASHCGEIA-CJNGLKHVSA-N 2 2 336.505 1.684 20 0 EDADLP C[C@@H]1C[C@H](Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000329739253 444697789 /nfs/dbraw/zinc/69/77/89/444697789.db2.gz USXGKXLCHDDBQQ-YCPHGPKFSA-N 2 2 331.464 1.865 20 0 EDADLP C[C@@H]1C[C@H](Nc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[N@H+]1C1CC1 ZINC000329739253 444697793 /nfs/dbraw/zinc/69/77/93/444697793.db2.gz USXGKXLCHDDBQQ-YCPHGPKFSA-N 2 2 331.464 1.865 20 0 EDADLP Cc1c[nH+]c(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)n1C ZINC000341268905 444755119 /nfs/dbraw/zinc/75/51/19/444755119.db2.gz ZUQYDRVVKWWZQZ-MRXNPFEDSA-N 2 2 327.432 1.790 20 0 EDADLP Cc1c[nH+]c(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)n1C ZINC000341268905 444755121 /nfs/dbraw/zinc/75/51/21/444755121.db2.gz ZUQYDRVVKWWZQZ-MRXNPFEDSA-N 2 2 327.432 1.790 20 0 EDADLP CC(C)(CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000341287323 444763197 /nfs/dbraw/zinc/76/31/97/444763197.db2.gz NBEAYLRMCXDRPE-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP Cc1ccc2[nH+]c(CNc3cnn(CC[NH+]4CCOCC4)c3)cn2c1 ZINC000341305589 444770903 /nfs/dbraw/zinc/77/09/03/444770903.db2.gz RRLQSVOWOJUQER-UHFFFAOYSA-N 2 2 340.431 1.784 20 0 EDADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C[C@H]21 ZINC000329926201 444772523 /nfs/dbraw/zinc/77/25/23/444772523.db2.gz KJQGVCZWHRDFMQ-MSOLQXFVSA-N 2 2 338.411 1.402 20 0 EDADLP C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C[C@H]21 ZINC000329926201 444772528 /nfs/dbraw/zinc/77/25/28/444772528.db2.gz KJQGVCZWHRDFMQ-MSOLQXFVSA-N 2 2 338.411 1.402 20 0 EDADLP O=S(=O)(NC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)C1CC1 ZINC000344134011 444800690 /nfs/dbraw/zinc/80/06/90/444800690.db2.gz ZJSHIWNFMWZZGD-INIZCTEOSA-N 2 2 343.537 1.656 20 0 EDADLP O=S(=O)(NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)C1CC1 ZINC000344134011 444800693 /nfs/dbraw/zinc/80/06/93/444800693.db2.gz ZJSHIWNFMWZZGD-INIZCTEOSA-N 2 2 343.537 1.656 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000338677849 444804700 /nfs/dbraw/zinc/80/47/00/444804700.db2.gz SZXFTNFUNWGZBJ-FUHWJXTLSA-N 2 2 349.450 1.485 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000338677849 444804704 /nfs/dbraw/zinc/80/47/04/444804704.db2.gz SZXFTNFUNWGZBJ-FUHWJXTLSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000338677849 444804709 /nfs/dbraw/zinc/80/47/09/444804709.db2.gz SZXFTNFUNWGZBJ-FUHWJXTLSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000338677849 444804714 /nfs/dbraw/zinc/80/47/14/444804714.db2.gz SZXFTNFUNWGZBJ-FUHWJXTLSA-N 2 2 349.450 1.485 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n1C ZINC000330100370 444844402 /nfs/dbraw/zinc/84/44/02/444844402.db2.gz DLBLXWLUMUXBKO-CYBMUJFWSA-N 2 2 329.452 1.403 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n1C ZINC000330100370 444844405 /nfs/dbraw/zinc/84/44/05/444844405.db2.gz DLBLXWLUMUXBKO-CYBMUJFWSA-N 2 2 329.452 1.403 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)n1C ZINC000342768796 444858244 /nfs/dbraw/zinc/85/82/44/444858244.db2.gz NMBHWLVVZLQSNJ-YJBOKZPZSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)n1C ZINC000342768796 444858247 /nfs/dbraw/zinc/85/82/47/444858247.db2.gz NMBHWLVVZLQSNJ-YJBOKZPZSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC(=O)N1C ZINC000330177599 444874529 /nfs/dbraw/zinc/87/45/29/444874529.db2.gz DBJXYTMKSYHGDM-LUTMRVPUSA-N 2 2 345.491 1.381 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC(=O)N1C ZINC000330178943 444875183 /nfs/dbraw/zinc/87/51/83/444875183.db2.gz FAMQQXXROLUPSF-VHKJUGFYSA-N 2 2 345.491 1.524 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC(=O)N1C ZINC000330178943 444875187 /nfs/dbraw/zinc/87/51/87/444875187.db2.gz FAMQQXXROLUPSF-VHKJUGFYSA-N 2 2 345.491 1.524 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(OC)c2)C1 ZINC000341583034 444907018 /nfs/dbraw/zinc/90/70/18/444907018.db2.gz DEBSWGFCPOLXNI-HOCLYGCPSA-N 2 2 335.448 1.723 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(OC)c2)C1 ZINC000341583034 444907021 /nfs/dbraw/zinc/90/70/21/444907021.db2.gz DEBSWGFCPOLXNI-HOCLYGCPSA-N 2 2 335.448 1.723 20 0 EDADLP CC[NH+](C)CCNc1cc(NCC[N@@H+](C)CC)[nH+]c2cnccc12 ZINC000341802997 445009362 /nfs/dbraw/zinc/00/93/62/445009362.db2.gz XUEKLLGOHZSZQN-UHFFFAOYSA-N 3 2 330.480 2.357 20 0 EDADLP CC[NH+](C)CCNc1cc(NCC[N@H+](C)CC)[nH+]c2cnccc12 ZINC000341802997 445009363 /nfs/dbraw/zinc/00/93/63/445009363.db2.gz XUEKLLGOHZSZQN-UHFFFAOYSA-N 3 2 330.480 2.357 20 0 EDADLP CC[NH+](C)CCNc1cc(NCC[N@H+](C)CC)c2ccncc2[nH+]1 ZINC000341802997 445009365 /nfs/dbraw/zinc/00/93/65/445009365.db2.gz XUEKLLGOHZSZQN-UHFFFAOYSA-N 3 2 330.480 2.357 20 0 EDADLP CC[NH+](C)CCNc1cc(NCC[N@@H+](C)CC)c2ccncc2[nH+]1 ZINC000341802997 445009366 /nfs/dbraw/zinc/00/93/66/445009366.db2.gz XUEKLLGOHZSZQN-UHFFFAOYSA-N 3 2 330.480 2.357 20 0 EDADLP CN(C(=O)c1cc[nH]n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339170246 445071433 /nfs/dbraw/zinc/07/14/33/445071433.db2.gz JNRFUSATZWFIGR-DLBZAZTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1cc[nH]n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339170246 445071437 /nfs/dbraw/zinc/07/14/37/445071437.db2.gz JNRFUSATZWFIGR-DLBZAZTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1ccn[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339170246 445071440 /nfs/dbraw/zinc/07/14/40/445071440.db2.gz JNRFUSATZWFIGR-DLBZAZTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1ccn[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339170246 445071445 /nfs/dbraw/zinc/07/14/45/445071445.db2.gz JNRFUSATZWFIGR-DLBZAZTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)c[nH+]1 ZINC000337340000 445039195 /nfs/dbraw/zinc/03/91/95/445039195.db2.gz GUFBCRCAFGWFFP-UHFFFAOYSA-N 2 2 342.447 1.722 20 0 EDADLP C[C@@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000337344134 445040278 /nfs/dbraw/zinc/04/02/78/445040278.db2.gz YOXSTDFUXQOHFD-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000337344134 445040280 /nfs/dbraw/zinc/04/02/80/445040280.db2.gz YOXSTDFUXQOHFD-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCOCC2)[C@@H](C)C1 ZINC000343079082 445046996 /nfs/dbraw/zinc/04/69/96/445046996.db2.gz OAFSGAZXVVJBBY-VDGAXYAQSA-N 2 2 347.503 1.998 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCOCC2)[C@@H](C)C1 ZINC000343079082 445047000 /nfs/dbraw/zinc/04/70/00/445047000.db2.gz OAFSGAZXVVJBBY-VDGAXYAQSA-N 2 2 347.503 1.998 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000344774585 445141988 /nfs/dbraw/zinc/14/19/88/445141988.db2.gz NEQWZXMRXBASNE-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000344774585 445141991 /nfs/dbraw/zinc/14/19/91/445141991.db2.gz NEQWZXMRXBASNE-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000337489917 445103060 /nfs/dbraw/zinc/10/30/60/445103060.db2.gz DFHQOPWQIDBESL-GAJHUEQPSA-N 2 2 335.517 1.506 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000337489917 445103064 /nfs/dbraw/zinc/10/30/64/445103064.db2.gz DFHQOPWQIDBESL-GAJHUEQPSA-N 2 2 335.517 1.506 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000343158162 445105088 /nfs/dbraw/zinc/10/50/88/445105088.db2.gz ITBYAXRIUJFNCN-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000343158162 445105089 /nfs/dbraw/zinc/10/50/89/445105089.db2.gz ITBYAXRIUJFNCN-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000343158162 445105091 /nfs/dbraw/zinc/10/50/91/445105091.db2.gz ITBYAXRIUJFNCN-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000343158162 445105093 /nfs/dbraw/zinc/10/50/93/445105093.db2.gz ITBYAXRIUJFNCN-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000330860349 445170112 /nfs/dbraw/zinc/17/01/12/445170112.db2.gz RSKIHTRUHYUTDN-LSDHHAIUSA-N 2 2 328.482 1.438 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000345296392 445178402 /nfs/dbraw/zinc/17/84/02/445178402.db2.gz FXDYKSGOTADDPO-OYUZRVEBSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000345296392 445178407 /nfs/dbraw/zinc/17/84/07/445178407.db2.gz FXDYKSGOTADDPO-OYUZRVEBSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000343245779 445158439 /nfs/dbraw/zinc/15/84/39/445158439.db2.gz CMWSIEXQTNHCOP-JKSUJKDBSA-N 2 2 331.464 1.766 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@H+](C)Cc1ccccc1 ZINC000343346374 445206594 /nfs/dbraw/zinc/20/65/94/445206594.db2.gz HCVVKMXIRXKSCU-MOPGFXCFSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000343346374 445206596 /nfs/dbraw/zinc/20/65/96/445206596.db2.gz HCVVKMXIRXKSCU-MOPGFXCFSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343346374 445206597 /nfs/dbraw/zinc/20/65/97/445206597.db2.gz HCVVKMXIRXKSCU-MOPGFXCFSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343346374 445206598 /nfs/dbraw/zinc/20/65/98/445206598.db2.gz HCVVKMXIRXKSCU-MOPGFXCFSA-N 2 2 345.487 1.876 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCC(=O)N[C@@H]3c3ccnn3C)n2c1 ZINC000343389346 445214198 /nfs/dbraw/zinc/21/41/98/445214198.db2.gz MLOSNSPGVOPQGE-KSSFIOAISA-N 2 2 338.415 1.486 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)[C@@H](C)C1 ZINC000346561616 445218232 /nfs/dbraw/zinc/21/82/32/445218232.db2.gz KTFCJGOLYFNWSX-HOCLYGCPSA-N 2 2 347.463 1.249 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)[C@@H](C)C1 ZINC000346561616 445218233 /nfs/dbraw/zinc/21/82/33/445218233.db2.gz KTFCJGOLYFNWSX-HOCLYGCPSA-N 2 2 347.463 1.249 20 0 EDADLP CCn1ccnc(N2CCC([NH2+][C@H]3C[N@H+](CC)C[C@H]3C)CC2)c1=O ZINC000343418065 445218852 /nfs/dbraw/zinc/21/88/52/445218852.db2.gz WHDCYPPPGJBJBY-ZBFHGGJFSA-N 2 2 333.480 1.162 20 0 EDADLP CCn1ccnc(N2CCC([NH2+][C@H]3C[N@@H+](CC)C[C@H]3C)CC2)c1=O ZINC000343418065 445218854 /nfs/dbraw/zinc/21/88/54/445218854.db2.gz WHDCYPPPGJBJBY-ZBFHGGJFSA-N 2 2 333.480 1.162 20 0 EDADLP Fc1cccc(C[NH+]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000343324282 445199007 /nfs/dbraw/zinc/19/90/07/445199007.db2.gz WOOWHWPCUMMRCU-KDURUIRLSA-N 2 2 333.451 1.807 20 0 EDADLP Fc1cccc(C[NH+]2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c1 ZINC000343324282 445199008 /nfs/dbraw/zinc/19/90/08/445199008.db2.gz WOOWHWPCUMMRCU-KDURUIRLSA-N 2 2 333.451 1.807 20 0 EDADLP CSC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346936984 445228179 /nfs/dbraw/zinc/22/81/79/445228179.db2.gz SHVOMRIEUSLSBL-LZWOXQAQSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346936984 445228180 /nfs/dbraw/zinc/22/81/80/445228180.db2.gz SHVOMRIEUSLSBL-LZWOXQAQSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346936984 445228182 /nfs/dbraw/zinc/22/81/82/445228182.db2.gz SHVOMRIEUSLSBL-LZWOXQAQSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346936984 445228184 /nfs/dbraw/zinc/22/81/84/445228184.db2.gz SHVOMRIEUSLSBL-LZWOXQAQSA-N 2 2 326.510 1.459 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1OC ZINC000343557461 445243477 /nfs/dbraw/zinc/24/34/77/445243477.db2.gz CENGWFCHMWEMOY-ZFWWWQNUSA-N 2 2 335.448 1.250 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000343557461 445243479 /nfs/dbraw/zinc/24/34/79/445243479.db2.gz CENGWFCHMWEMOY-ZFWWWQNUSA-N 2 2 335.448 1.250 20 0 EDADLP CC[C@@H](C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)OC)c1ccccc1 ZINC000343612216 445263803 /nfs/dbraw/zinc/26/38/03/445263803.db2.gz GDDCYSDOHHCMBB-SFHVURJKSA-N 2 2 347.503 1.903 20 0 EDADLP CC[C@@H](C[N@@H+](CCN1CC[NH+](C)CC1)CC(=O)OC)c1ccccc1 ZINC000343612216 445263804 /nfs/dbraw/zinc/26/38/04/445263804.db2.gz GDDCYSDOHHCMBB-SFHVURJKSA-N 2 2 347.503 1.903 20 0 EDADLP C[C@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1CC(C)(C)O ZINC000348197919 445313000 /nfs/dbraw/zinc/31/30/00/445313000.db2.gz HHZWXKGPBSWAGZ-ZDUSSCGKSA-N 2 2 326.510 1.482 20 0 EDADLP C[C@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1CC(C)(C)O ZINC000348197919 445313003 /nfs/dbraw/zinc/31/30/03/445313003.db2.gz HHZWXKGPBSWAGZ-ZDUSSCGKSA-N 2 2 326.510 1.482 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)Cc1ccnc(N)c1 ZINC000348126188 445282321 /nfs/dbraw/zinc/28/23/21/445282321.db2.gz XIYNLNBSDMXXHR-LSDHHAIUSA-N 2 2 332.427 1.442 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)Cc1ccnc(N)c1 ZINC000348126188 445282323 /nfs/dbraw/zinc/28/23/23/445282323.db2.gz XIYNLNBSDMXXHR-LSDHHAIUSA-N 2 2 332.427 1.442 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000348151311 445290050 /nfs/dbraw/zinc/29/00/50/445290050.db2.gz NFYHMMKPCMEMLP-OAGGEKHMSA-N 2 2 344.459 1.518 20 0 EDADLP Cn1ccnc1[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000354635906 445323185 /nfs/dbraw/zinc/32/31/85/445323185.db2.gz RFTUSIWHTKGXBB-MRXNPFEDSA-N 2 2 348.495 1.196 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c[nH+]1 ZINC000354636864 445323223 /nfs/dbraw/zinc/32/32/23/445323223.db2.gz NUKPBRZUKJWHNH-OAHLLOKOSA-N 2 2 328.420 1.350 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c[nH+]1 ZINC000354636864 445323226 /nfs/dbraw/zinc/32/32/26/445323226.db2.gz NUKPBRZUKJWHNH-OAHLLOKOSA-N 2 2 328.420 1.350 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000354569232 445298519 /nfs/dbraw/zinc/29/85/19/445298519.db2.gz KLFNYVRXLOSJAH-CQSZACIVSA-N 2 2 330.436 1.078 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)s1 ZINC000348256714 445329473 /nfs/dbraw/zinc/32/94/73/445329473.db2.gz XVFQEZNXKGMMIS-OAHLLOKOSA-N 2 2 329.466 1.387 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@@H](C)C1 ZINC000348663727 445345467 /nfs/dbraw/zinc/34/54/67/445345467.db2.gz FBXKZLNKFCWNLA-HOCLYGCPSA-N 2 2 339.480 1.060 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@@H](C)C1 ZINC000348663727 445345469 /nfs/dbraw/zinc/34/54/69/445345469.db2.gz FBXKZLNKFCWNLA-HOCLYGCPSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@@H](C)C1 ZINC000348663727 445345471 /nfs/dbraw/zinc/34/54/71/445345471.db2.gz FBXKZLNKFCWNLA-HOCLYGCPSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@@H](C)C1 ZINC000348663727 445345473 /nfs/dbraw/zinc/34/54/73/445345473.db2.gz FBXKZLNKFCWNLA-HOCLYGCPSA-N 2 2 339.480 1.060 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)C2=O)c1 ZINC000351862186 445346782 /nfs/dbraw/zinc/34/67/82/445346782.db2.gz OFKVFMQGPHUJNZ-XNJGSVPQSA-N 2 2 333.432 1.478 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)C2=O)c1 ZINC000351862186 445346785 /nfs/dbraw/zinc/34/67/85/445346785.db2.gz OFKVFMQGPHUJNZ-XNJGSVPQSA-N 2 2 333.432 1.478 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000348751462 445362560 /nfs/dbraw/zinc/36/25/60/445362560.db2.gz ROYIDDGQQXJNNX-MRXNPFEDSA-N 2 2 334.464 1.829 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1C[C@@H](F)C[NH+]1Cc1cnn(C)c1 ZINC000351905441 445366250 /nfs/dbraw/zinc/36/62/50/445366250.db2.gz IIDWBMPQDHRFSX-HZPDHXFCSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1C[C@@H](F)C[NH+]1Cc1cnn(C)c1 ZINC000351905441 445366257 /nfs/dbraw/zinc/36/62/57/445366257.db2.gz IIDWBMPQDHRFSX-HZPDHXFCSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351905441 445366263 /nfs/dbraw/zinc/36/62/63/445366263.db2.gz IIDWBMPQDHRFSX-HZPDHXFCSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351905441 445366270 /nfs/dbraw/zinc/36/62/70/445366270.db2.gz IIDWBMPQDHRFSX-HZPDHXFCSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)C(=O)NCC[NH+](C)C ZINC000359672111 445367962 /nfs/dbraw/zinc/36/79/62/445367962.db2.gz JOECYJBDHFLOAR-HNNXBMFYSA-N 2 2 338.500 1.215 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000348234128 445324728 /nfs/dbraw/zinc/32/47/28/445324728.db2.gz VUSAXWHDRASYLQ-KRWDZBQOSA-N 2 2 341.459 1.837 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000357071492 445406922 /nfs/dbraw/zinc/40/69/22/445406922.db2.gz GSPQBLLOJLQUQM-RYRKJORJSA-N 2 2 347.434 1.267 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000357071492 445406923 /nfs/dbraw/zinc/40/69/23/445406923.db2.gz GSPQBLLOJLQUQM-RYRKJORJSA-N 2 2 347.434 1.267 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000348832812 445407343 /nfs/dbraw/zinc/40/73/43/445407343.db2.gz NDCVEXJRWQKMNP-UHFFFAOYSA-N 2 2 341.459 1.639 20 0 EDADLP COCCN(C)c1ccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cn1 ZINC000359731017 445396699 /nfs/dbraw/zinc/39/66/99/445396699.db2.gz OAZCJHFEVFOGFI-MRXNPFEDSA-N 2 2 336.480 1.365 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357110354 445434356 /nfs/dbraw/zinc/43/43/56/445434356.db2.gz XCAXRRFXSBGWPN-ZNMIVQPWSA-N 2 2 347.459 1.422 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357110354 445434358 /nfs/dbraw/zinc/43/43/58/445434358.db2.gz XCAXRRFXSBGWPN-ZNMIVQPWSA-N 2 2 347.459 1.422 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c[nH+]1 ZINC000349035805 445483518 /nfs/dbraw/zinc/48/35/18/445483518.db2.gz PTDHWPVFXRJYOB-MRXNPFEDSA-N 2 2 340.493 1.183 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000352030627 445450135 /nfs/dbraw/zinc/45/01/35/445450135.db2.gz WPJKCYHZGKFQLE-GOSISDBHSA-N 2 2 333.480 1.012 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000352030627 445450138 /nfs/dbraw/zinc/45/01/38/445450138.db2.gz WPJKCYHZGKFQLE-GOSISDBHSA-N 2 2 333.480 1.012 20 0 EDADLP CCOCC(C)(C)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000359841333 445455861 /nfs/dbraw/zinc/45/58/61/445455861.db2.gz OETWLYZBPCORKB-UHFFFAOYSA-N 2 2 342.528 1.717 20 0 EDADLP CCOCC(C)(C)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000359841333 445455864 /nfs/dbraw/zinc/45/58/64/445455864.db2.gz OETWLYZBPCORKB-UHFFFAOYSA-N 2 2 342.528 1.717 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCCCC(N)=O)([NH+]2CCCCC2)CC1 ZINC000352051701 445460046 /nfs/dbraw/zinc/46/00/46/445460046.db2.gz DXESQUQIEHLZLB-UHFFFAOYSA-N 2 2 338.496 1.099 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000357172283 445466006 /nfs/dbraw/zinc/46/60/06/445466006.db2.gz BZQUXQFJZNEZJW-SJLPKXTDSA-N 2 2 347.528 1.809 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000357172283 445466008 /nfs/dbraw/zinc/46/60/08/445466008.db2.gz BZQUXQFJZNEZJW-SJLPKXTDSA-N 2 2 347.528 1.809 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCOC ZINC000355556526 445468795 /nfs/dbraw/zinc/46/87/95/445468795.db2.gz DITXKIBNWNQCOF-JKSUJKDBSA-N 2 2 334.464 1.720 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCOC ZINC000355556526 445468802 /nfs/dbraw/zinc/46/88/02/445468802.db2.gz DITXKIBNWNQCOF-JKSUJKDBSA-N 2 2 334.464 1.720 20 0 EDADLP COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362705302 445509332 /nfs/dbraw/zinc/50/93/32/445509332.db2.gz XNADVNXNTORADY-MRXNPFEDSA-N 2 2 346.475 1.663 20 0 EDADLP COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362705302 445509334 /nfs/dbraw/zinc/50/93/34/445509334.db2.gz XNADVNXNTORADY-MRXNPFEDSA-N 2 2 346.475 1.663 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362743392 445527937 /nfs/dbraw/zinc/52/79/37/445527937.db2.gz XYRGRPJTDJJYDD-NVXWUHKLSA-N 2 2 331.460 1.537 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362743392 445527941 /nfs/dbraw/zinc/52/79/41/445527941.db2.gz XYRGRPJTDJJYDD-NVXWUHKLSA-N 2 2 331.460 1.537 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000360019618 445530933 /nfs/dbraw/zinc/53/09/33/445530933.db2.gz ZSJRBGXGUZLGMN-OAHLLOKOSA-N 2 2 349.479 1.642 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360026958 445535300 /nfs/dbraw/zinc/53/53/00/445535300.db2.gz BFYFIEHEEYRXHL-UHFFFAOYSA-N 2 2 334.460 1.779 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000360026958 445535301 /nfs/dbraw/zinc/53/53/01/445535301.db2.gz BFYFIEHEEYRXHL-UHFFFAOYSA-N 2 2 334.460 1.779 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000357227229 445493077 /nfs/dbraw/zinc/49/30/77/445493077.db2.gz RHZIXYVBVOYNGG-OAHLLOKOSA-N 2 2 345.443 1.229 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000357227229 445493080 /nfs/dbraw/zinc/49/30/80/445493080.db2.gz RHZIXYVBVOYNGG-OAHLLOKOSA-N 2 2 345.443 1.229 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000362684125 445499319 /nfs/dbraw/zinc/49/93/19/445499319.db2.gz NWBOGTJLKHCDPY-ZDUSSCGKSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000362684125 445499321 /nfs/dbraw/zinc/49/93/21/445499321.db2.gz NWBOGTJLKHCDPY-ZDUSSCGKSA-N 2 2 325.815 1.875 20 0 EDADLP O=C(N1CC[NH+](Cc2cccc(O)c2)CC1)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357245982 445505022 /nfs/dbraw/zinc/50/50/22/445505022.db2.gz WLPJBOFCBLCICL-PXNSSMCTSA-N 2 2 343.471 1.816 20 0 EDADLP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000362797608 445553505 /nfs/dbraw/zinc/55/35/05/445553505.db2.gz OQYBJKTWCAJXNY-IEBWSBKVSA-N 2 2 333.451 1.809 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357388383 445555947 /nfs/dbraw/zinc/55/59/47/445555947.db2.gz ITPOEBQYCDOXAU-VQHPVUNQSA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357388383 445555953 /nfs/dbraw/zinc/55/59/53/445555953.db2.gz ITPOEBQYCDOXAU-VQHPVUNQSA-N 2 2 325.497 1.673 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000355981176 445555976 /nfs/dbraw/zinc/55/59/76/445555976.db2.gz DHAKXIHHLGRWHN-NSHDSACASA-N 2 2 325.457 1.649 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000362802056 445556420 /nfs/dbraw/zinc/55/64/20/445556420.db2.gz KBIQQNRGAJCLJF-HZPDHXFCSA-N 2 2 349.500 1.579 20 0 EDADLP Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CC[N@H+](CCc4ccccc4)C3)C2)cn1 ZINC000360080411 445556831 /nfs/dbraw/zinc/55/68/31/445556831.db2.gz WDVVJENXUOOPJU-RTBURBONSA-N 2 2 339.487 1.905 20 0 EDADLP Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](CCc4ccccc4)C3)C2)cn1 ZINC000360080411 445556834 /nfs/dbraw/zinc/55/68/34/445556834.db2.gz WDVVJENXUOOPJU-RTBURBONSA-N 2 2 339.487 1.905 20 0 EDADLP COCc1cnc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000349295522 445557914 /nfs/dbraw/zinc/55/79/14/445557914.db2.gz KDKCIVUJVLLKSO-CQSZACIVSA-N 2 2 338.521 1.890 20 0 EDADLP COCc1cnc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000349295522 445557917 /nfs/dbraw/zinc/55/79/17/445557917.db2.gz KDKCIVUJVLLKSO-CQSZACIVSA-N 2 2 338.521 1.890 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[NH+](C)C ZINC000355995018 445563134 /nfs/dbraw/zinc/56/31/34/445563134.db2.gz VRBOZZCNDWZBJC-SJORKVTESA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000355995018 445563136 /nfs/dbraw/zinc/56/31/36/445563136.db2.gz VRBOZZCNDWZBJC-SJORKVTESA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)CC[NH+]1CCOCC1)C2 ZINC000356001615 445566674 /nfs/dbraw/zinc/56/66/74/445566674.db2.gz AWPMAHBZZJRHOJ-GJZGRUSLSA-N 2 2 348.491 1.865 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCOCC1)CC2 ZINC000356001615 445566677 /nfs/dbraw/zinc/56/66/77/445566677.db2.gz AWPMAHBZZJRHOJ-GJZGRUSLSA-N 2 2 348.491 1.865 20 0 EDADLP O=S(=O)(NCC[NH+]1CCCCC1)c1ccccc1Cn1cc[nH+]c1 ZINC000349498273 445599412 /nfs/dbraw/zinc/59/94/12/445599412.db2.gz JYNPFKMHHVFDIQ-UHFFFAOYSA-N 2 2 348.472 1.696 20 0 EDADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358152850 445608234 /nfs/dbraw/zinc/60/82/34/445608234.db2.gz LBQMQDZKXONLJH-BZSNNMDCSA-N 2 2 337.508 1.724 20 0 EDADLP O=S(=O)(NCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000362926657 445611887 /nfs/dbraw/zinc/61/18/87/445611887.db2.gz RSKWOZODDFQCLH-NXHRZFHOSA-N 2 2 349.500 1.381 20 0 EDADLP O=S(=O)(NCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000362926657 445611892 /nfs/dbraw/zinc/61/18/92/445611892.db2.gz RSKWOZODDFQCLH-NXHRZFHOSA-N 2 2 349.500 1.381 20 0 EDADLP O=S(=O)(NCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000362926657 445611895 /nfs/dbraw/zinc/61/18/95/445611895.db2.gz RSKWOZODDFQCLH-NXHRZFHOSA-N 2 2 349.500 1.381 20 0 EDADLP O=S(=O)(NCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000362926657 445611899 /nfs/dbraw/zinc/61/18/99/445611899.db2.gz RSKWOZODDFQCLH-NXHRZFHOSA-N 2 2 349.500 1.381 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000349668750 445641702 /nfs/dbraw/zinc/64/17/02/445641702.db2.gz PLBGHVFGJJKQSM-MRXNPFEDSA-N 2 2 345.447 1.553 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000349668750 445641708 /nfs/dbraw/zinc/64/17/08/445641708.db2.gz PLBGHVFGJJKQSM-MRXNPFEDSA-N 2 2 345.447 1.553 20 0 EDADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000353498790 445630362 /nfs/dbraw/zinc/63/03/62/445630362.db2.gz BPYOLPLMSIGQSL-HKUYNNGSSA-N 2 2 329.444 1.886 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000362883840 445596061 /nfs/dbraw/zinc/59/60/61/445596061.db2.gz FNBVMJAEYDGTLU-ZDUSSCGKSA-N 2 2 331.424 1.579 20 0 EDADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000356061609 445596965 /nfs/dbraw/zinc/59/69/65/445596965.db2.gz KKJWPCLGZGCIQE-RHSMWYFYSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000356061609 445596969 /nfs/dbraw/zinc/59/69/69/445596969.db2.gz KKJWPCLGZGCIQE-RHSMWYFYSA-N 2 2 328.416 1.399 20 0 EDADLP CSC1(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000356172261 445660545 /nfs/dbraw/zinc/66/05/45/445660545.db2.gz CULOFAUZXSLEJD-UHFFFAOYSA-N 2 2 348.516 1.996 20 0 EDADLP CC[C@H](C(=O)NCC1([NH+]2CCOCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000356175554 445662464 /nfs/dbraw/zinc/66/24/64/445662464.db2.gz ZVAXNLYREPGHPX-GOSISDBHSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H](C(=O)NCC1([NH+]2CCOCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000356175554 445662468 /nfs/dbraw/zinc/66/24/68/445662468.db2.gz ZVAXNLYREPGHPX-GOSISDBHSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000353624577 445680537 /nfs/dbraw/zinc/68/05/37/445680537.db2.gz UBNDZOWXYAJICV-UONOGXRCSA-N 2 2 333.432 1.779 20 0 EDADLP CCOC(=O)c1coc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000353655200 445694244 /nfs/dbraw/zinc/69/42/44/445694244.db2.gz XBWGYIZRTMCKSS-MAUKXSAKSA-N 2 2 349.475 1.914 20 0 EDADLP CCOC(=O)c1coc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000353655200 445694246 /nfs/dbraw/zinc/69/42/46/445694246.db2.gz XBWGYIZRTMCKSS-MAUKXSAKSA-N 2 2 349.475 1.914 20 0 EDADLP CCOC(=O)[C@H](C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000353676488 445702260 /nfs/dbraw/zinc/70/22/60/445702260.db2.gz NXGLRYXEXSDUFM-HNNXBMFYSA-N 2 2 348.447 1.004 20 0 EDADLP CCOC(=O)[C@H](C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000353676488 445702262 /nfs/dbraw/zinc/70/22/62/445702262.db2.gz NXGLRYXEXSDUFM-HNNXBMFYSA-N 2 2 348.447 1.004 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000363338584 445771545 /nfs/dbraw/zinc/77/15/45/445771545.db2.gz IJEDHGVWSNVATH-XLIONFOSSA-N 2 2 345.487 1.305 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256769 445742868 /nfs/dbraw/zinc/74/28/68/445742868.db2.gz OVCFTKSTXMCHRS-CAOSSQGBSA-N 2 2 336.480 1.273 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256769 445742872 /nfs/dbraw/zinc/74/28/72/445742872.db2.gz OVCFTKSTXMCHRS-CAOSSQGBSA-N 2 2 336.480 1.273 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256769 445742875 /nfs/dbraw/zinc/74/28/75/445742875.db2.gz OVCFTKSTXMCHRS-CAOSSQGBSA-N 2 2 336.480 1.273 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256769 445742878 /nfs/dbraw/zinc/74/28/78/445742878.db2.gz OVCFTKSTXMCHRS-CAOSSQGBSA-N 2 2 336.480 1.273 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000356371835 445756907 /nfs/dbraw/zinc/75/69/07/445756907.db2.gz XWAFJWJHNHSSMC-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000356371835 445756909 /nfs/dbraw/zinc/75/69/09/445756909.db2.gz XWAFJWJHNHSSMC-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP CC(C)N1N=C(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)CCC1=O ZINC000363415871 445794913 /nfs/dbraw/zinc/79/49/13/445794913.db2.gz KUBASFNURHRRSX-UHFFFAOYSA-N 2 2 326.360 1.593 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)CC[C@@H]21 ZINC000356451672 445797048 /nfs/dbraw/zinc/79/70/48/445797048.db2.gz XFKBOXJXXOTFIP-NJAFHUGGSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)CC[C@@H]21 ZINC000356451672 445797050 /nfs/dbraw/zinc/79/70/50/445797050.db2.gz XFKBOXJXXOTFIP-NJAFHUGGSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC[C@@H]21 ZINC000356451672 445797052 /nfs/dbraw/zinc/79/70/52/445797052.db2.gz XFKBOXJXXOTFIP-NJAFHUGGSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC[C@@H]21 ZINC000356451672 445797054 /nfs/dbraw/zinc/79/70/54/445797054.db2.gz XFKBOXJXXOTFIP-NJAFHUGGSA-N 2 2 335.492 1.573 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363442645 445805515 /nfs/dbraw/zinc/80/55/15/445805515.db2.gz RKTFAXUCMFVBFI-UHFFFAOYSA-N 2 2 342.447 1.943 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000356596075 445877590 /nfs/dbraw/zinc/87/75/90/445877590.db2.gz KMSLMEGQGOMENX-NVXWUHKLSA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000356596075 445877592 /nfs/dbraw/zinc/87/75/92/445877592.db2.gz KMSLMEGQGOMENX-NVXWUHKLSA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000356596075 445877595 /nfs/dbraw/zinc/87/75/95/445877595.db2.gz KMSLMEGQGOMENX-NVXWUHKLSA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000356596075 445877599 /nfs/dbraw/zinc/87/75/99/445877599.db2.gz KMSLMEGQGOMENX-NVXWUHKLSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNc2cc[nH+]c(N3CCOCC3)n2)C[C@@H](C)O1 ZINC000354065754 445883802 /nfs/dbraw/zinc/88/38/02/445883802.db2.gz PVLRCBIZXZBMNZ-HUUCEWRRSA-N 2 2 349.479 1.613 20 0 EDADLP CC(C)NC(=O)C[NH+]1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000354066214 445883857 /nfs/dbraw/zinc/88/38/57/445883857.db2.gz SYRNTWZZFPDWDN-UHFFFAOYSA-N 2 2 346.479 1.114 20 0 EDADLP CC[C@@]1(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000363535698 445847799 /nfs/dbraw/zinc/84/77/99/445847799.db2.gz UJDRRVFWIASGBE-PKOBYXMFSA-N 2 2 331.460 1.254 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000350627666 445863153 /nfs/dbraw/zinc/86/31/53/445863153.db2.gz FEQZVEDSNBKHTO-UHFFFAOYSA-N 2 2 337.439 1.691 20 0 EDADLP CO[C@@]1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOC1 ZINC000359097333 445943668 /nfs/dbraw/zinc/94/36/68/445943668.db2.gz BASQZNUEVHBUBX-MRXNPFEDSA-N 2 2 326.360 1.428 20 0 EDADLP CCCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372941897 445933860 /nfs/dbraw/zinc/93/38/60/445933860.db2.gz GNHBESRCUUMTAA-HNNXBMFYSA-N 2 2 346.475 1.769 20 0 EDADLP COC(=O)c1cn([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)nn1 ZINC000364157767 445898759 /nfs/dbraw/zinc/89/87/59/445898759.db2.gz REXCFNHHTMJKJT-OAHLLOKOSA-N 2 2 335.452 1.578 20 0 EDADLP COC(=O)c1cn([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)nn1 ZINC000364157767 445898763 /nfs/dbraw/zinc/89/87/63/445898763.db2.gz REXCFNHHTMJKJT-OAHLLOKOSA-N 2 2 335.452 1.578 20 0 EDADLP CCOC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364215372 445901560 /nfs/dbraw/zinc/90/15/60/445901560.db2.gz PGPZPLTXKRBPKL-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP CCOC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364215372 445901564 /nfs/dbraw/zinc/90/15/64/445901564.db2.gz PGPZPLTXKRBPKL-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000350782722 445905839 /nfs/dbraw/zinc/90/58/39/445905839.db2.gz KZOMGESITDETDF-NVXWUHKLSA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000350782722 445905845 /nfs/dbraw/zinc/90/58/45/445905845.db2.gz KZOMGESITDETDF-NVXWUHKLSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000582310609 325819588 /nfs/dbraw/zinc/81/95/88/325819588.db2.gz NUTPFUTXYKLWBL-UHFFFAOYSA-N 2 2 336.399 1.866 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000354107971 445910181 /nfs/dbraw/zinc/91/01/81/445910181.db2.gz NNUXOLAYFOODOD-STQMWFEESA-N 2 2 334.420 1.408 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000354107971 445910186 /nfs/dbraw/zinc/91/01/86/445910186.db2.gz NNUXOLAYFOODOD-STQMWFEESA-N 2 2 334.420 1.408 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000364334863 445911001 /nfs/dbraw/zinc/91/10/01/445911001.db2.gz CNRQNETYUZAGLG-KFWWJZLASA-N 2 2 333.436 1.510 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000364334863 445911011 /nfs/dbraw/zinc/91/10/11/445911011.db2.gz CNRQNETYUZAGLG-KFWWJZLASA-N 2 2 333.436 1.510 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000359063508 445921389 /nfs/dbraw/zinc/92/13/89/445921389.db2.gz WSHHNXBWXDZQRH-UONOGXRCSA-N 2 2 335.452 1.067 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCO1 ZINC000359063508 445921391 /nfs/dbraw/zinc/92/13/91/445921391.db2.gz WSHHNXBWXDZQRH-UONOGXRCSA-N 2 2 335.452 1.067 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000359063508 445921392 /nfs/dbraw/zinc/92/13/92/445921392.db2.gz WSHHNXBWXDZQRH-UONOGXRCSA-N 2 2 335.452 1.067 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCO1 ZINC000359063508 445921393 /nfs/dbraw/zinc/92/13/93/445921393.db2.gz WSHHNXBWXDZQRH-UONOGXRCSA-N 2 2 335.452 1.067 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366000559 445953553 /nfs/dbraw/zinc/95/35/53/445953553.db2.gz MDIYZQJWOAPRLM-OAHLLOKOSA-N 3 2 335.496 1.562 20 0 EDADLP CCCCCC[C@H](O)C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372988567 445962254 /nfs/dbraw/zinc/96/22/54/445962254.db2.gz CMHAEMCZRCZBAE-ROUUACIJSA-N 2 2 327.513 1.266 20 0 EDADLP CCCCCC[C@H](O)C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372988567 445962262 /nfs/dbraw/zinc/96/22/62/445962262.db2.gz CMHAEMCZRCZBAE-ROUUACIJSA-N 2 2 327.513 1.266 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000372988863 445962761 /nfs/dbraw/zinc/96/27/61/445962761.db2.gz GVEDTBUFNLQRMJ-RHSMWYFYSA-N 2 2 346.475 1.789 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000372988863 445962768 /nfs/dbraw/zinc/96/27/68/445962768.db2.gz GVEDTBUFNLQRMJ-RHSMWYFYSA-N 2 2 346.475 1.789 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(N2CC[NH+](CC(=O)NC(C)C)CC2)n1 ZINC000361810707 445963633 /nfs/dbraw/zinc/96/36/33/445963633.db2.gz FVWXDLFLUVNZMS-UHFFFAOYSA-N 2 2 342.447 1.222 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000359135239 445972639 /nfs/dbraw/zinc/97/26/39/445972639.db2.gz DSQIBMXHPMSIRU-IUODEOHRSA-N 2 2 341.452 1.405 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000359135239 445972643 /nfs/dbraw/zinc/97/26/43/445972643.db2.gz DSQIBMXHPMSIRU-IUODEOHRSA-N 2 2 341.452 1.405 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000365024315 445978374 /nfs/dbraw/zinc/97/83/74/445978374.db2.gz BQYFKXQSUMRSPO-SFHVURJKSA-N 2 2 337.508 1.822 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000365024315 445978382 /nfs/dbraw/zinc/97/83/82/445978382.db2.gz BQYFKXQSUMRSPO-SFHVURJKSA-N 2 2 337.508 1.822 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000359145220 445979477 /nfs/dbraw/zinc/97/94/77/445979477.db2.gz KTLZOHVNBYYYRX-UHFFFAOYSA-N 2 2 347.850 1.931 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000359145220 445979481 /nfs/dbraw/zinc/97/94/81/445979481.db2.gz KTLZOHVNBYYYRX-UHFFFAOYSA-N 2 2 347.850 1.931 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000351058855 445981214 /nfs/dbraw/zinc/98/12/14/445981214.db2.gz AAWZOLQUCQSWEP-JKSUJKDBSA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000351058855 445981219 /nfs/dbraw/zinc/98/12/19/445981219.db2.gz AAWZOLQUCQSWEP-JKSUJKDBSA-N 2 2 349.479 1.020 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000356748280 445986101 /nfs/dbraw/zinc/98/61/01/445986101.db2.gz VMUKPWPHZMARTQ-BHIYHBOVSA-N 2 2 343.471 1.583 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000356748280 445986108 /nfs/dbraw/zinc/98/61/08/445986108.db2.gz VMUKPWPHZMARTQ-BHIYHBOVSA-N 2 2 343.471 1.583 20 0 EDADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366064700 445989841 /nfs/dbraw/zinc/98/98/41/445989841.db2.gz YZKWCZVKEFBSEJ-FUHWJXTLSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366064700 445989843 /nfs/dbraw/zinc/98/98/43/445989843.db2.gz YZKWCZVKEFBSEJ-FUHWJXTLSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(N)nc(Cl)c3)C2)CC1 ZINC000369275064 446041171 /nfs/dbraw/zinc/04/11/71/446041171.db2.gz VCSOTFQYEBLTRL-LBPRGKRZSA-N 2 2 337.855 1.216 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(N)nc(Cl)c3)C2)CC1 ZINC000369275064 446041177 /nfs/dbraw/zinc/04/11/77/446041177.db2.gz VCSOTFQYEBLTRL-LBPRGKRZSA-N 2 2 337.855 1.216 20 0 EDADLP COC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369275746 446041538 /nfs/dbraw/zinc/04/15/38/446041538.db2.gz COKHBCKPPPLJGX-INIZCTEOSA-N 2 2 345.443 1.372 20 0 EDADLP COC(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369275746 446041541 /nfs/dbraw/zinc/04/15/41/446041541.db2.gz COKHBCKPPPLJGX-INIZCTEOSA-N 2 2 345.443 1.372 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@]3(C)CCC(=O)N3)c2cc1C ZINC000583019553 325981348 /nfs/dbraw/zinc/98/13/48/325981348.db2.gz CHLMJGHLGFNIQE-KBXCAEBGSA-N 2 2 330.432 1.272 20 0 EDADLP O=C(C[N@@H+]1CCCO[C@H]2CCC[C@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000365143407 446050572 /nfs/dbraw/zinc/05/05/72/446050572.db2.gz AEFXUVQPRAHCFO-MSOLQXFVSA-N 2 2 347.459 1.567 20 0 EDADLP O=C(C[N@H+]1CCCO[C@H]2CCC[C@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000365143407 446050575 /nfs/dbraw/zinc/05/05/75/446050575.db2.gz AEFXUVQPRAHCFO-MSOLQXFVSA-N 2 2 347.459 1.567 20 0 EDADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000583630099 326108223 /nfs/dbraw/zinc/10/82/23/326108223.db2.gz HMDHYHJCQQTABE-LSDHHAIUSA-N 2 2 341.377 1.904 20 0 EDADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000583630099 326108225 /nfs/dbraw/zinc/10/82/25/326108225.db2.gz HMDHYHJCQQTABE-LSDHHAIUSA-N 2 2 341.377 1.904 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000583761986 326136087 /nfs/dbraw/zinc/13/60/87/326136087.db2.gz HZNIBAPAXGDJGK-HKUYNNGSSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000583761986 326136088 /nfs/dbraw/zinc/13/60/88/326136088.db2.gz HZNIBAPAXGDJGK-HKUYNNGSSA-N 2 2 345.487 1.826 20 0 EDADLP CC[N@H+](CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1)C(C)C ZINC000356835771 446057792 /nfs/dbraw/zinc/05/77/92/446057792.db2.gz CJHMRCSYFZHKRL-UHFFFAOYSA-N 2 2 333.480 1.952 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1)C(C)C ZINC000356835771 446057796 /nfs/dbraw/zinc/05/77/96/446057796.db2.gz CJHMRCSYFZHKRL-UHFFFAOYSA-N 2 2 333.480 1.952 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000359231980 446063089 /nfs/dbraw/zinc/06/30/89/446063089.db2.gz MBEKLBYAAONJSO-UHFFFAOYSA-N 2 2 326.448 1.877 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCOC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000354268146 446063449 /nfs/dbraw/zinc/06/34/49/446063449.db2.gz KZXDWCLUZLKHQN-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCOC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000354268146 446063454 /nfs/dbraw/zinc/06/34/54/446063454.db2.gz KZXDWCLUZLKHQN-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000354268146 446063459 /nfs/dbraw/zinc/06/34/59/446063459.db2.gz KZXDWCLUZLKHQN-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000354268146 446063463 /nfs/dbraw/zinc/06/34/63/446063463.db2.gz KZXDWCLUZLKHQN-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(N4CCCC4=O)c3)C[C@H]12 ZINC000351488203 446089988 /nfs/dbraw/zinc/08/99/88/446089988.db2.gz FBHWAWUZDQMNEN-RRQGHBQHSA-N 2 2 342.443 1.421 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(N4CCCC4=O)c3)C[C@H]12 ZINC000351488203 446089990 /nfs/dbraw/zinc/08/99/90/446089990.db2.gz FBHWAWUZDQMNEN-RRQGHBQHSA-N 2 2 342.443 1.421 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CC[NH+](Cc4ccsc4)CC3)C[C@H]12 ZINC000351488504 446089997 /nfs/dbraw/zinc/08/99/97/446089997.db2.gz GCQHTTDULXHCDZ-YESZJQIVSA-N 3 2 348.516 1.061 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CC[NH+](Cc4ccsc4)CC3)C[C@H]12 ZINC000351488504 446089998 /nfs/dbraw/zinc/08/99/98/446089998.db2.gz GCQHTTDULXHCDZ-YESZJQIVSA-N 3 2 348.516 1.061 20 0 EDADLP CCCCCC[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000365230741 446091364 /nfs/dbraw/zinc/09/13/64/446091364.db2.gz LAMKDPQLEFBELJ-MOPGFXCFSA-N 2 2 341.540 1.656 20 0 EDADLP CCCCCC[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000365230741 446091369 /nfs/dbraw/zinc/09/13/69/446091369.db2.gz LAMKDPQLEFBELJ-MOPGFXCFSA-N 2 2 341.540 1.656 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nc4cccnc4s3)C2)CC1 ZINC000365238666 446095801 /nfs/dbraw/zinc/09/58/01/446095801.db2.gz VMOZBTUUNRGGTK-LBPRGKRZSA-N 2 2 345.472 1.590 20 0 EDADLP CN(C[C@@H]1CCCCO1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372508 446111359 /nfs/dbraw/zinc/11/13/59/446111359.db2.gz JNOUZVJMOXYWNU-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C[C@@H]1CCCCO1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372508 446111362 /nfs/dbraw/zinc/11/13/62/446111362.db2.gz JNOUZVJMOXYWNU-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373238404 446114210 /nfs/dbraw/zinc/11/42/10/446114210.db2.gz ZSUBFIDQACNARG-QGZVFWFLSA-N 2 2 325.416 1.732 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373238404 446114213 /nfs/dbraw/zinc/11/42/13/446114213.db2.gz ZSUBFIDQACNARG-QGZVFWFLSA-N 2 2 325.416 1.732 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359288490 446123920 /nfs/dbraw/zinc/12/39/20/446123920.db2.gz ZDYMNZKZDJHWLN-CALCHBBNSA-N 2 2 331.460 1.292 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359288490 446123925 /nfs/dbraw/zinc/12/39/25/446123925.db2.gz ZDYMNZKZDJHWLN-CALCHBBNSA-N 2 2 331.460 1.292 20 0 EDADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000351523518 446126399 /nfs/dbraw/zinc/12/63/99/446126399.db2.gz MCBSNRHEPWYKPC-NNXHMXCWSA-N 2 2 338.496 1.077 20 0 EDADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000351523518 446126406 /nfs/dbraw/zinc/12/64/06/446126406.db2.gz MCBSNRHEPWYKPC-NNXHMXCWSA-N 2 2 338.496 1.077 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000351523518 446126408 /nfs/dbraw/zinc/12/64/08/446126408.db2.gz MCBSNRHEPWYKPC-NNXHMXCWSA-N 2 2 338.496 1.077 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000351523518 446126415 /nfs/dbraw/zinc/12/64/15/446126415.db2.gz MCBSNRHEPWYKPC-NNXHMXCWSA-N 2 2 338.496 1.077 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCN2c2ccccc2)CC1 ZINC000373329077 446167369 /nfs/dbraw/zinc/16/73/69/446167369.db2.gz UKLCPCMLTCQYEC-LJQANCHMSA-N 2 2 344.503 1.798 20 0 EDADLP COC[C@H]1CCCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000373364944 446183263 /nfs/dbraw/zinc/18/32/63/446183263.db2.gz VLMOKNGODHSCFQ-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000370185058 446189240 /nfs/dbraw/zinc/18/92/40/446189240.db2.gz ORCWZVFPLGHYHN-BBWFWOEESA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000370185058 446189244 /nfs/dbraw/zinc/18/92/44/446189244.db2.gz ORCWZVFPLGHYHN-BBWFWOEESA-N 2 2 334.508 1.987 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000373511115 446243538 /nfs/dbraw/zinc/24/35/38/446243538.db2.gz WOUUXMCIFWUBES-DLBZAZTESA-N 2 2 332.448 1.690 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000373511115 446243540 /nfs/dbraw/zinc/24/35/40/446243540.db2.gz WOUUXMCIFWUBES-DLBZAZTESA-N 2 2 332.448 1.690 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccc(F)cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373463334 446226267 /nfs/dbraw/zinc/22/62/67/446226267.db2.gz WRRDPCKPACAKJZ-ZDUSSCGKSA-N 2 2 335.427 1.853 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccc(F)cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373463334 446226273 /nfs/dbraw/zinc/22/62/73/446226273.db2.gz WRRDPCKPACAKJZ-ZDUSSCGKSA-N 2 2 335.427 1.853 20 0 EDADLP CN(C(=O)NCc1cccn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373503991 446240803 /nfs/dbraw/zinc/24/08/03/446240803.db2.gz HOJIPCNWYJMWCG-QGZVFWFLSA-N 2 2 333.480 1.335 20 0 EDADLP CN(C(=O)NCc1cccn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373503991 446240806 /nfs/dbraw/zinc/24/08/06/446240806.db2.gz HOJIPCNWYJMWCG-QGZVFWFLSA-N 2 2 333.480 1.335 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365539205 446246296 /nfs/dbraw/zinc/24/62/96/446246296.db2.gz PDDXWGAITDMOEX-GVDBMIGSSA-N 2 2 337.427 1.824 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365539205 446246297 /nfs/dbraw/zinc/24/62/97/446246297.db2.gz PDDXWGAITDMOEX-GVDBMIGSSA-N 2 2 337.427 1.824 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000366618928 446283431 /nfs/dbraw/zinc/28/34/31/446283431.db2.gz COGQAPREAHCMOO-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000373732330 446316595 /nfs/dbraw/zinc/31/65/95/446316595.db2.gz DOBBPZPULJJRQF-CVEARBPZSA-N 2 2 334.464 1.405 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000373742227 446320451 /nfs/dbraw/zinc/32/04/51/446320451.db2.gz OSKLKPXAJASKPG-UHFFFAOYSA-N 2 2 335.496 1.432 20 0 EDADLP Cc1cc([C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)ccc1F ZINC000373755023 446325980 /nfs/dbraw/zinc/32/59/80/446325980.db2.gz URGHBZWRRCRXMY-GOSISDBHSA-N 2 2 349.450 1.672 20 0 EDADLP Cc1cc([C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)ccc1F ZINC000373755023 446325985 /nfs/dbraw/zinc/32/59/85/446325985.db2.gz URGHBZWRRCRXMY-GOSISDBHSA-N 2 2 349.450 1.672 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000366748987 446333131 /nfs/dbraw/zinc/33/31/31/446333131.db2.gz YJAPIOJUPSEJDX-HZPDHXFCSA-N 2 2 332.448 1.015 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000366748987 446333134 /nfs/dbraw/zinc/33/31/34/446333134.db2.gz YJAPIOJUPSEJDX-HZPDHXFCSA-N 2 2 332.448 1.015 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417952959 446398775 /nfs/dbraw/zinc/39/87/75/446398775.db2.gz NPYMGLLQTKFJHD-ONERCXAPSA-N 2 2 326.391 1.617 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417952959 446398778 /nfs/dbraw/zinc/39/87/78/446398778.db2.gz NPYMGLLQTKFJHD-ONERCXAPSA-N 2 2 326.391 1.617 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000370606556 446354582 /nfs/dbraw/zinc/35/45/82/446354582.db2.gz MSBDWHZQGQDYRS-KRWDZBQOSA-N 2 2 346.475 1.797 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000370606556 446354587 /nfs/dbraw/zinc/35/45/87/446354587.db2.gz MSBDWHZQGQDYRS-KRWDZBQOSA-N 2 2 346.475 1.797 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417955572 446399921 /nfs/dbraw/zinc/39/99/21/446399921.db2.gz RGTVVCWKMATGRK-VQISRLSMSA-N 2 2 326.391 1.747 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417955572 446399923 /nfs/dbraw/zinc/39/99/23/446399923.db2.gz RGTVVCWKMATGRK-VQISRLSMSA-N 2 2 326.391 1.747 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417953754 446398444 /nfs/dbraw/zinc/39/84/44/446398444.db2.gz OWBHCXZTMWUFAK-STQMWFEESA-N 2 2 348.344 1.603 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417953754 446398445 /nfs/dbraw/zinc/39/84/45/446398445.db2.gz OWBHCXZTMWUFAK-STQMWFEESA-N 2 2 348.344 1.603 20 0 EDADLP Cc1noc(C)c1C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374053260 446349322 /nfs/dbraw/zinc/34/93/22/446349322.db2.gz SVXUVRHWJCYKDD-OAHLLOKOSA-N 2 2 348.491 1.854 20 0 EDADLP Cc1noc(C)c1C(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374053260 446349325 /nfs/dbraw/zinc/34/93/25/446349325.db2.gz SVXUVRHWJCYKDD-OAHLLOKOSA-N 2 2 348.491 1.854 20 0 EDADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000366969205 446433802 /nfs/dbraw/zinc/43/38/02/446433802.db2.gz JRBBPGYIESMSGL-ZWKOTPCHSA-N 2 2 345.487 1.924 20 0 EDADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000366969205 446433807 /nfs/dbraw/zinc/43/38/07/446433807.db2.gz JRBBPGYIESMSGL-ZWKOTPCHSA-N 2 2 345.487 1.924 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000423132837 446434537 /nfs/dbraw/zinc/43/45/37/446434537.db2.gz VAXJNJDOENDRFV-DOTOQJQBSA-N 3 2 336.480 1.269 20 0 EDADLP COc1ccc([C@@H](NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[C@H]2CCC[NH2+]2)cc1 ZINC000423148286 446439400 /nfs/dbraw/zinc/43/94/00/446439400.db2.gz FTEINFOXAJDOFQ-IYWMVGAKSA-N 2 2 345.487 1.941 20 0 EDADLP COc1ccc([C@@H](NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[C@H]2CCC[NH2+]2)cc1 ZINC000423148286 446439405 /nfs/dbraw/zinc/43/94/05/446439405.db2.gz FTEINFOXAJDOFQ-IYWMVGAKSA-N 2 2 345.487 1.941 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423145321 446440755 /nfs/dbraw/zinc/44/07/55/446440755.db2.gz KCACRLDUYPRQLA-KPFFTGBYSA-N 3 2 345.487 1.679 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423145321 446440757 /nfs/dbraw/zinc/44/07/57/446440757.db2.gz KCACRLDUYPRQLA-KPFFTGBYSA-N 3 2 345.487 1.679 20 0 EDADLP Cn1cc(I)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000423163109 446443720 /nfs/dbraw/zinc/44/37/20/446443720.db2.gz QTBPRUQRSCQNNS-KOLCDFICSA-N 2 2 348.232 1.632 20 0 EDADLP Cn1c[nH+]cc1[C@H]1[C@H]([NH2+][C@H]2COC(C)(C)C2)CCC(=O)N1C1CC1 ZINC000418053267 446426293 /nfs/dbraw/zinc/42/62/93/446426293.db2.gz YVQYMAVKZVWOIP-SUYBPPKGSA-N 2 2 332.448 1.772 20 0 EDADLP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000423209342 446455154 /nfs/dbraw/zinc/45/51/54/446455154.db2.gz DYONYWJWIRTZLD-HNNXBMFYSA-N 2 2 347.463 1.311 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)C2)nn1 ZINC000420292056 446455669 /nfs/dbraw/zinc/45/56/69/446455669.db2.gz YGMHZFCCGZUHDY-OAHLLOKOSA-N 2 2 342.451 1.359 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCCN(c3cc(N4CCCCC4)nc[nH+]3)C2)nn1 ZINC000420292056 446455675 /nfs/dbraw/zinc/45/56/75/446455675.db2.gz YGMHZFCCGZUHDY-OAHLLOKOSA-N 2 2 342.451 1.359 20 0 EDADLP [NH3+]CCC[C@@H](NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000418213390 446460274 /nfs/dbraw/zinc/46/02/74/446460274.db2.gz MESUKQVIHIAPPR-ZWKOTPCHSA-N 2 2 346.475 1.629 20 0 EDADLP [NH3+]CCC[C@@H](NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000418213390 446460282 /nfs/dbraw/zinc/46/02/82/446460282.db2.gz MESUKQVIHIAPPR-ZWKOTPCHSA-N 2 2 346.475 1.629 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000367013542 446461598 /nfs/dbraw/zinc/46/15/98/446461598.db2.gz AKJUWYFDWLJJCY-CVEARBPZSA-N 2 2 331.526 1.464 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000367013542 446461605 /nfs/dbraw/zinc/46/16/05/446461605.db2.gz AKJUWYFDWLJJCY-CVEARBPZSA-N 2 2 331.526 1.464 20 0 EDADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000367013542 446461609 /nfs/dbraw/zinc/46/16/09/446461609.db2.gz AKJUWYFDWLJJCY-CVEARBPZSA-N 2 2 331.526 1.464 20 0 EDADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000367013542 446461617 /nfs/dbraw/zinc/46/16/17/446461617.db2.gz AKJUWYFDWLJJCY-CVEARBPZSA-N 2 2 331.526 1.464 20 0 EDADLP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418223012 446464128 /nfs/dbraw/zinc/46/41/28/446464128.db2.gz UTNVVWOKADROEA-KRWDZBQOSA-N 2 2 338.496 1.400 20 0 EDADLP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418223012 446464134 /nfs/dbraw/zinc/46/41/34/446464134.db2.gz UTNVVWOKADROEA-KRWDZBQOSA-N 2 2 338.496 1.400 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000420306493 446470350 /nfs/dbraw/zinc/47/03/50/446470350.db2.gz HPSQXLIBKVVFRJ-AWEZNQCLSA-N 2 2 335.452 1.547 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000420306493 446470355 /nfs/dbraw/zinc/47/03/55/446470355.db2.gz HPSQXLIBKVVFRJ-AWEZNQCLSA-N 2 2 335.452 1.547 20 0 EDADLP CS(=O)(=O)N(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000420306349 446470715 /nfs/dbraw/zinc/47/07/15/446470715.db2.gz ATMSATMZKUBJSK-SJORKVTESA-N 2 2 337.489 1.132 20 0 EDADLP CS(=O)(=O)N(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000420306349 446470717 /nfs/dbraw/zinc/47/07/17/446470717.db2.gz ATMSATMZKUBJSK-SJORKVTESA-N 2 2 337.489 1.132 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000423294610 446476176 /nfs/dbraw/zinc/47/61/76/446476176.db2.gz CJPKVANFPPQUKF-LBPRGKRZSA-N 2 2 330.388 1.592 20 0 EDADLP C[C@@H]1C[N@H+](CCN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000420318442 446484011 /nfs/dbraw/zinc/48/40/11/446484011.db2.gz WDHFYVVETKEXJF-SJORKVTESA-N 2 2 347.507 1.085 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000420318442 446484012 /nfs/dbraw/zinc/48/40/12/446484012.db2.gz WDHFYVVETKEXJF-SJORKVTESA-N 2 2 347.507 1.085 20 0 EDADLP CC[N@H+](CC(=O)N(C)c1ccccc1C(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420316488 446482245 /nfs/dbraw/zinc/48/22/45/446482245.db2.gz SVCXBURTXSBURN-OAHLLOKOSA-N 2 2 347.459 1.900 20 0 EDADLP CC[N@@H+](CC(=O)N(C)c1ccccc1C(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420316488 446482250 /nfs/dbraw/zinc/48/22/50/446482250.db2.gz SVCXBURTXSBURN-OAHLLOKOSA-N 2 2 347.459 1.900 20 0 EDADLP Cc1cccc([C@H](CNC(=O)CC2(C[NH3+])CC2)[NH+]2CCOCC2)c1 ZINC000423327969 446489234 /nfs/dbraw/zinc/48/92/34/446489234.db2.gz NMKSVKNTGAVXDK-KRWDZBQOSA-N 2 2 331.460 1.614 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2cc(F)cc(F)c2)CC12CCOCC2 ZINC000420327161 446496194 /nfs/dbraw/zinc/49/61/94/446496194.db2.gz KTXKBHLGWGIDOB-LBPRGKRZSA-N 2 2 339.386 1.591 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2cc(F)cc(F)c2)CC12CCOCC2 ZINC000420327161 446496197 /nfs/dbraw/zinc/49/61/97/446496197.db2.gz KTXKBHLGWGIDOB-LBPRGKRZSA-N 2 2 339.386 1.591 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)CC1(C[NH3+])CC1 ZINC000423377769 446508459 /nfs/dbraw/zinc/50/84/59/446508459.db2.gz FIMONSGMRJPYNN-CQSZACIVSA-N 2 2 337.489 1.709 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423360483 446499408 /nfs/dbraw/zinc/49/94/08/446499408.db2.gz LMYJXYFTBKXECS-HEHGZKQESA-N 2 2 325.478 1.586 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000423516804 446559653 /nfs/dbraw/zinc/55/96/53/446559653.db2.gz NRDXZJAJBFONHB-DOMZBBRYSA-N 2 2 328.382 1.971 20 0 EDADLP CCn1nccc1/C=C/C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370988832 446560101 /nfs/dbraw/zinc/56/01/01/446560101.db2.gz YHMNKPQEKIUEDB-DUMMIQTOSA-N 2 2 345.491 1.543 20 0 EDADLP CCn1nccc1/C=C/C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370988832 446560107 /nfs/dbraw/zinc/56/01/07/446560107.db2.gz YHMNKPQEKIUEDB-DUMMIQTOSA-N 2 2 345.491 1.543 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1C[NH3+] ZINC000420388911 446563221 /nfs/dbraw/zinc/56/32/21/446563221.db2.gz XMNMMHOGLHZSQV-UONOGXRCSA-N 2 2 344.459 1.667 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1C[NH3+] ZINC000420388911 446563225 /nfs/dbraw/zinc/56/32/25/446563225.db2.gz XMNMMHOGLHZSQV-UONOGXRCSA-N 2 2 344.459 1.667 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1C[NH2+]CCN1C)c1ccc(Cl)cc1 ZINC000423528875 446563362 /nfs/dbraw/zinc/56/33/62/446563362.db2.gz XCSCHZGMLQBKDM-HOTGVXAUSA-N 2 2 333.867 1.656 20 0 EDADLP CC[C@@H](NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000420391506 446566898 /nfs/dbraw/zinc/56/68/98/446566898.db2.gz OIIABWMIHFNPOV-HZPDHXFCSA-N 2 2 339.867 1.957 20 0 EDADLP CC[C@@H](NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000420391506 446566905 /nfs/dbraw/zinc/56/69/05/446566905.db2.gz OIIABWMIHFNPOV-HZPDHXFCSA-N 2 2 339.867 1.957 20 0 EDADLP COC[C@]1(C[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)CCC[NH2+]1 ZINC000423416062 446525254 /nfs/dbraw/zinc/52/52/54/446525254.db2.gz PYQUQLCOOFXTLR-YZGWKJHDSA-N 2 2 347.503 1.807 20 0 EDADLP COC[C@]1(CN[C@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000423416062 446525256 /nfs/dbraw/zinc/52/52/56/446525256.db2.gz PYQUQLCOOFXTLR-YZGWKJHDSA-N 2 2 347.503 1.807 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000420354452 446533903 /nfs/dbraw/zinc/53/39/03/446533903.db2.gz DBXXOAVXELAYML-MRXNPFEDSA-N 2 2 345.491 1.988 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420355974 446535668 /nfs/dbraw/zinc/53/56/68/446535668.db2.gz FWLJIRBIQSVUBW-CQSZACIVSA-N 2 2 327.856 1.928 20 0 EDADLP [NH3+]C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)C1CCCCC1 ZINC000420355237 446535777 /nfs/dbraw/zinc/53/57/77/446535777.db2.gz FAVMDYQEUVWRRO-AWEZNQCLSA-N 2 2 338.477 1.571 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423436002 446536531 /nfs/dbraw/zinc/53/65/31/446536531.db2.gz FEGSVPQADDFGBL-QZTJIDSGSA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423436002 446536533 /nfs/dbraw/zinc/53/65/33/446536533.db2.gz FEGSVPQADDFGBL-QZTJIDSGSA-N 2 2 335.492 1.478 20 0 EDADLP [NH3+]C1CC[NH+](CCCC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000433155082 446539543 /nfs/dbraw/zinc/53/95/43/446539543.db2.gz WJDBHSRZDBVLPM-UHFFFAOYSA-N 3 2 333.480 1.593 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000420368691 446545531 /nfs/dbraw/zinc/54/55/31/446545531.db2.gz IDSWPOQTVXBPNS-AWEZNQCLSA-N 2 2 331.420 1.441 20 0 EDADLP Cc1cc([C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)ccc1F ZINC000420368357 446545645 /nfs/dbraw/zinc/54/56/45/446545645.db2.gz WQMUIPFRUXFQFL-KRWDZBQOSA-N 2 2 335.423 1.329 20 0 EDADLP Cc1cc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)ccc1F ZINC000420368357 446545656 /nfs/dbraw/zinc/54/56/56/446545656.db2.gz WQMUIPFRUXFQFL-KRWDZBQOSA-N 2 2 335.423 1.329 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000423479260 446552449 /nfs/dbraw/zinc/55/24/49/446552449.db2.gz UVZADAONBTZNNL-LSDHHAIUSA-N 2 2 347.463 1.167 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cn[nH]c1 ZINC000371078472 446614230 /nfs/dbraw/zinc/61/42/30/446614230.db2.gz WMNFQANRUGSXFO-OAHLLOKOSA-N 2 2 348.495 1.720 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434005597 446616440 /nfs/dbraw/zinc/61/64/40/446616440.db2.gz YJHZDLDDSXNOKN-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000371089506 446620401 /nfs/dbraw/zinc/62/04/01/446620401.db2.gz UDLVCCKXTDXNSX-WMLDXEAASA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371089506 446620407 /nfs/dbraw/zinc/62/04/07/446620407.db2.gz UDLVCCKXTDXNSX-WMLDXEAASA-N 2 2 332.448 1.193 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418520960 446578852 /nfs/dbraw/zinc/57/88/52/446578852.db2.gz FOIKHCCHHYQHQN-UHFFFAOYSA-N 2 2 329.395 1.679 20 0 EDADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423579400 446586834 /nfs/dbraw/zinc/58/68/34/446586834.db2.gz WCSKCDWYHRAVPT-OALUTQOASA-N 2 2 327.428 1.952 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)CC2 ZINC000423593799 446594034 /nfs/dbraw/zinc/59/40/34/446594034.db2.gz MRCSGPQIRZVTNU-CZUORRHYSA-N 2 2 347.459 1.176 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)CC2 ZINC000423593799 446594039 /nfs/dbraw/zinc/59/40/39/446594039.db2.gz MRCSGPQIRZVTNU-CZUORRHYSA-N 2 2 347.459 1.176 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)C1CC[NH+](CC(F)F)CC1 ZINC000367915366 446608129 /nfs/dbraw/zinc/60/81/29/446608129.db2.gz ILYIQZKBPSIVEJ-GJZGRUSLSA-N 2 2 345.434 1.333 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)C1CC[NH+](CC(F)F)CC1 ZINC000367915366 446608137 /nfs/dbraw/zinc/60/81/37/446608137.db2.gz ILYIQZKBPSIVEJ-GJZGRUSLSA-N 2 2 345.434 1.333 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000418659543 446638787 /nfs/dbraw/zinc/63/87/87/446638787.db2.gz XMHVBEQLCKRPLU-KURKYZTESA-N 2 2 346.475 1.363 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000418659543 446638793 /nfs/dbraw/zinc/63/87/93/446638793.db2.gz XMHVBEQLCKRPLU-KURKYZTESA-N 2 2 346.475 1.363 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000375214418 446647508 /nfs/dbraw/zinc/64/75/08/446647508.db2.gz GKQGHFSUPKUENN-UHFFFAOYSA-N 2 2 328.420 1.503 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000375214418 446647513 /nfs/dbraw/zinc/64/75/13/446647513.db2.gz GKQGHFSUPKUENN-UHFFFAOYSA-N 2 2 328.420 1.503 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCOCC1 ZINC000375218050 446650260 /nfs/dbraw/zinc/65/02/60/446650260.db2.gz MEZGFCZHOXQSDY-UHFFFAOYSA-N 2 2 337.508 1.868 20 0 EDADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000418775154 446694642 /nfs/dbraw/zinc/69/46/42/446694642.db2.gz WDSHIVDEFSPSML-CYBMUJFWSA-N 2 2 344.431 1.573 20 0 EDADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423767098 446694847 /nfs/dbraw/zinc/69/48/47/446694847.db2.gz BSBGMFIRQBUICT-OAHLLOKOSA-N 2 2 327.432 1.254 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371220486 446697789 /nfs/dbraw/zinc/69/77/89/446697789.db2.gz QXSYXUKEWAVMNB-ZACQAIPSSA-N 2 2 345.491 1.245 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)C1 ZINC000375291851 446697961 /nfs/dbraw/zinc/69/79/61/446697961.db2.gz ILSVQXIHWZXRJJ-KRWDZBQOSA-N 2 2 331.508 1.986 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)C1 ZINC000375291851 446697966 /nfs/dbraw/zinc/69/79/66/446697966.db2.gz ILSVQXIHWZXRJJ-KRWDZBQOSA-N 2 2 331.508 1.986 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)CC1 ZINC000411886770 446705776 /nfs/dbraw/zinc/70/57/76/446705776.db2.gz BCBCDKFGHKFMNM-OLMNPRSZSA-N 2 2 331.460 1.441 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000371237372 446707113 /nfs/dbraw/zinc/70/71/13/446707113.db2.gz SYNAHZAHTBLVCF-LSDHHAIUSA-N 2 2 328.420 1.831 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000376775029 446712109 /nfs/dbraw/zinc/71/21/09/446712109.db2.gz ABDNXCGIXLDDTG-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000376775029 446712114 /nfs/dbraw/zinc/71/21/14/446712114.db2.gz ABDNXCGIXLDDTG-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H](C[NH3+])C(C)C)cc2)CC1 ZINC000423831091 446719923 /nfs/dbraw/zinc/71/99/23/446719923.db2.gz BNRWGNJDOLTMOS-GOSISDBHSA-N 2 2 346.475 1.520 20 0 EDADLP CN(Cc1nc(-c2ccco2)no1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376799177 446726008 /nfs/dbraw/zinc/72/60/08/446726008.db2.gz NHHRQHQVZWADDL-OAHLLOKOSA-N 2 2 345.447 1.930 20 0 EDADLP CN(Cc1nc(-c2ccco2)no1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376799177 446726015 /nfs/dbraw/zinc/72/60/15/446726015.db2.gz NHHRQHQVZWADDL-OAHLLOKOSA-N 2 2 345.447 1.930 20 0 EDADLP C[N@H+](Cc1nc(-c2ccco2)no1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799177 446726019 /nfs/dbraw/zinc/72/60/19/446726019.db2.gz NHHRQHQVZWADDL-OAHLLOKOSA-N 2 2 345.447 1.930 20 0 EDADLP C[N@@H+](Cc1nc(-c2ccco2)no1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799177 446726026 /nfs/dbraw/zinc/72/60/26/446726026.db2.gz NHHRQHQVZWADDL-OAHLLOKOSA-N 2 2 345.447 1.930 20 0 EDADLP Cc1ccc(C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)c(C)n1 ZINC000375339263 446733232 /nfs/dbraw/zinc/73/32/32/446733232.db2.gz XVVOFKIOJAGHSG-UHFFFAOYSA-N 2 2 332.492 1.538 20 0 EDADLP Cc1ccc(C[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)c(C)n1 ZINC000375339263 446733239 /nfs/dbraw/zinc/73/32/39/446733239.db2.gz XVVOFKIOJAGHSG-UHFFFAOYSA-N 2 2 332.492 1.538 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000423892174 446746730 /nfs/dbraw/zinc/74/67/30/446746730.db2.gz KHBCBBQAEPIBDQ-HNNXBMFYSA-N 2 2 326.444 1.866 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371291977 446748066 /nfs/dbraw/zinc/74/80/66/446748066.db2.gz ALICRJNXWTXDTF-BZUAXINKSA-N 2 2 332.510 1.383 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371291977 446748071 /nfs/dbraw/zinc/74/80/71/446748071.db2.gz ALICRJNXWTXDTF-BZUAXINKSA-N 2 2 332.510 1.383 20 0 EDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000368267623 446748570 /nfs/dbraw/zinc/74/85/70/446748570.db2.gz ZYGVPDFFUFWHPG-INIZCTEOSA-N 2 2 333.480 1.150 20 0 EDADLP c1cn(CCn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c[nH+]1 ZINC000371290215 446748891 /nfs/dbraw/zinc/74/88/91/446748891.db2.gz AOPBPRRXTQLYHH-INIZCTEOSA-N 2 2 339.403 1.143 20 0 EDADLP c1cn(CCn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c[nH+]1 ZINC000371290215 446748895 /nfs/dbraw/zinc/74/88/95/446748895.db2.gz AOPBPRRXTQLYHH-INIZCTEOSA-N 2 2 339.403 1.143 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000423919505 446768927 /nfs/dbraw/zinc/76/89/27/446768927.db2.gz FKPIPEOHXBRHKO-IHRRRGAJSA-N 2 2 340.468 1.574 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000423919505 446768931 /nfs/dbraw/zinc/76/89/31/446768931.db2.gz FKPIPEOHXBRHKO-IHRRRGAJSA-N 2 2 340.468 1.574 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423923087 446773540 /nfs/dbraw/zinc/77/35/40/446773540.db2.gz XAONGSOHQRKFRO-QPSCCSFWSA-N 2 2 338.427 1.447 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423923087 446773544 /nfs/dbraw/zinc/77/35/44/446773544.db2.gz XAONGSOHQRKFRO-QPSCCSFWSA-N 2 2 338.427 1.447 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000423923378 446773968 /nfs/dbraw/zinc/77/39/68/446773968.db2.gz XOBWYKOMQTVXLB-UKRRQHHQSA-N 2 2 336.505 1.939 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000423923378 446773972 /nfs/dbraw/zinc/77/39/72/446773972.db2.gz XOBWYKOMQTVXLB-UKRRQHHQSA-N 2 2 336.505 1.939 20 0 EDADLP CC[NH+]1CCC(NC(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000375408309 446779880 /nfs/dbraw/zinc/77/98/80/446779880.db2.gz DXSQAYBHZHPYQY-INIZCTEOSA-N 2 2 349.479 1.671 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000423934149 446784922 /nfs/dbraw/zinc/78/49/22/446784922.db2.gz YHKSVIBDQPEDON-CQSZACIVSA-N 2 2 332.448 1.789 20 0 EDADLP Cc1cc[nH+]c(N2CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C2)c1 ZINC000418934658 446809850 /nfs/dbraw/zinc/80/98/50/446809850.db2.gz JZLYREJYTBJWCH-HNNXBMFYSA-N 2 2 335.448 1.869 20 0 EDADLP Cc1cc[nH+]c(N2CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C2)c1 ZINC000418934658 446809853 /nfs/dbraw/zinc/80/98/53/446809853.db2.gz JZLYREJYTBJWCH-HNNXBMFYSA-N 2 2 335.448 1.869 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](CC)CCO3)CC2)c1 ZINC000371379654 446819490 /nfs/dbraw/zinc/81/94/90/446819490.db2.gz OIZCEHUJWJCQHV-HXUWFJFHSA-N 2 2 347.503 1.924 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](CC)CCO3)CC2)c1 ZINC000371379654 446819495 /nfs/dbraw/zinc/81/94/95/446819495.db2.gz OIZCEHUJWJCQHV-HXUWFJFHSA-N 2 2 347.503 1.924 20 0 EDADLP C[N@@H+]1CCc2ncnc(Nc3cnn(CC[NH+]4CCCCC4)c3)c2C1 ZINC000371390910 446826838 /nfs/dbraw/zinc/82/68/38/446826838.db2.gz YKWHSXAXVAOGEP-UHFFFAOYSA-N 2 2 341.463 1.891 20 0 EDADLP C[N@H+]1CCc2ncnc(Nc3cnn(CC[NH+]4CCCCC4)c3)c2C1 ZINC000371390910 446826843 /nfs/dbraw/zinc/82/68/43/446826843.db2.gz YKWHSXAXVAOGEP-UHFFFAOYSA-N 2 2 341.463 1.891 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)c(C)c[nH+]1 ZINC000371411016 446838151 /nfs/dbraw/zinc/83/81/51/446838151.db2.gz VQNMDZHIMLOMNS-UHFFFAOYSA-N 2 2 345.447 1.068 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)o1 ZINC000368401741 446839975 /nfs/dbraw/zinc/83/99/75/446839975.db2.gz GCJKWXUHPKKNHZ-CXAGYDPISA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)o1 ZINC000368401741 446839979 /nfs/dbraw/zinc/83/99/79/446839979.db2.gz GCJKWXUHPKKNHZ-CXAGYDPISA-N 2 2 346.431 1.972 20 0 EDADLP CN(C)c1ncc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000371422202 446844902 /nfs/dbraw/zinc/84/49/02/446844902.db2.gz BXACHXDGTAMLKH-KRWDZBQOSA-N 2 2 332.496 1.145 20 0 EDADLP CN(C)c1ncc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000371422202 446844906 /nfs/dbraw/zinc/84/49/06/446844906.db2.gz BXACHXDGTAMLKH-KRWDZBQOSA-N 2 2 332.496 1.145 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)nc[nH+]2)C1 ZINC000418994392 446853308 /nfs/dbraw/zinc/85/33/08/446853308.db2.gz BQBLQBSLTSHBQF-BZUAXINKSA-N 2 2 333.480 1.604 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)nc[nH+]2)C1 ZINC000418994392 446853311 /nfs/dbraw/zinc/85/33/11/446853311.db2.gz BQBLQBSLTSHBQF-BZUAXINKSA-N 2 2 333.480 1.604 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccccc1 ZINC000418998053 446855943 /nfs/dbraw/zinc/85/59/43/446855943.db2.gz GXMIUVAMCALHNP-IYBDPMFKSA-N 2 2 346.475 1.228 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccccc1 ZINC000418998053 446855948 /nfs/dbraw/zinc/85/59/48/446855948.db2.gz GXMIUVAMCALHNP-IYBDPMFKSA-N 2 2 346.475 1.228 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1ccccc1 ZINC000418998051 446856413 /nfs/dbraw/zinc/85/64/13/446856413.db2.gz GXMIUVAMCALHNP-HOTGVXAUSA-N 2 2 346.475 1.228 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1ccccc1 ZINC000418998051 446856422 /nfs/dbraw/zinc/85/64/22/446856422.db2.gz GXMIUVAMCALHNP-HOTGVXAUSA-N 2 2 346.475 1.228 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)nc1 ZINC000371442353 446857670 /nfs/dbraw/zinc/85/76/70/446857670.db2.gz HYAZOVAQCXWCHI-ZBFHGGJFSA-N 2 2 338.883 1.792 20 0 EDADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C[C@H]2C1 ZINC000424274568 446865808 /nfs/dbraw/zinc/86/58/08/446865808.db2.gz WDOREASQWHRSJT-TZNCUMHOSA-N 2 2 337.508 1.722 20 0 EDADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)C[C@H]2C1 ZINC000424274568 446865811 /nfs/dbraw/zinc/86/58/11/446865811.db2.gz WDOREASQWHRSJT-TZNCUMHOSA-N 2 2 337.508 1.722 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371457799 446870679 /nfs/dbraw/zinc/87/06/79/446870679.db2.gz ITVWQOILGHMDRW-AWEZNQCLSA-N 2 2 347.507 1.586 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371457799 446870684 /nfs/dbraw/zinc/87/06/84/446870684.db2.gz ITVWQOILGHMDRW-AWEZNQCLSA-N 2 2 347.507 1.586 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000420907023 446880922 /nfs/dbraw/zinc/88/09/22/446880922.db2.gz SRMQGSJNNACMIZ-UHFFFAOYSA-N 2 2 334.464 1.980 20 0 EDADLP CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420916622 446888570 /nfs/dbraw/zinc/88/85/70/446888570.db2.gz HYINDQYGVJVNOT-MOPGFXCFSA-N 2 2 334.460 1.802 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377058585 446892204 /nfs/dbraw/zinc/89/22/04/446892204.db2.gz XHCMCRQBNPSGIW-SJORKVTESA-N 2 2 344.507 1.539 20 0 EDADLP C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377058584 446892845 /nfs/dbraw/zinc/89/28/45/446892845.db2.gz XHCMCRQBNPSGIW-IRXDYDNUSA-N 2 2 344.507 1.539 20 0 EDADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1(CCO)CCOCC1 ZINC000420927650 446897487 /nfs/dbraw/zinc/89/74/87/446897487.db2.gz BSJZQLCVCYCYEZ-UHFFFAOYSA-N 2 2 348.487 1.882 20 0 EDADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1(CCO)CCOCC1 ZINC000420927650 446897491 /nfs/dbraw/zinc/89/74/91/446897491.db2.gz BSJZQLCVCYCYEZ-UHFFFAOYSA-N 2 2 348.487 1.882 20 0 EDADLP CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420935355 446907649 /nfs/dbraw/zinc/90/76/49/446907649.db2.gz JVTBMWBFBGMISR-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420935355 446907656 /nfs/dbraw/zinc/90/76/56/446907656.db2.gz JVTBMWBFBGMISR-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP CC1(C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](CO)O1 ZINC000420946672 446917804 /nfs/dbraw/zinc/91/78/04/446917804.db2.gz UKAMSJBRQZBHGI-LJQANCHMSA-N 2 2 347.503 1.670 20 0 EDADLP CC1(C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](CO)O1 ZINC000420946672 446917814 /nfs/dbraw/zinc/91/78/14/446917814.db2.gz UKAMSJBRQZBHGI-LJQANCHMSA-N 2 2 347.503 1.670 20 0 EDADLP COc1ncc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c(C)n1 ZINC000375606280 446919324 /nfs/dbraw/zinc/91/93/24/446919324.db2.gz HORUFLYIIMFUJU-XOKHGSTOSA-N 2 2 334.464 1.773 20 0 EDADLP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c(C)n1 ZINC000375606280 446919331 /nfs/dbraw/zinc/91/93/31/446919331.db2.gz HORUFLYIIMFUJU-XOKHGSTOSA-N 2 2 334.464 1.773 20 0 EDADLP Cc1noc(C)c1CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377134942 446942444 /nfs/dbraw/zinc/94/24/44/446942444.db2.gz WPYUWFFOYGTMOD-CYBMUJFWSA-N 2 2 349.479 1.601 20 0 EDADLP Cc1noc(C)c1CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377134942 446942450 /nfs/dbraw/zinc/94/24/50/446942450.db2.gz WPYUWFFOYGTMOD-CYBMUJFWSA-N 2 2 349.479 1.601 20 0 EDADLP Cn1nccc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000377159460 446960942 /nfs/dbraw/zinc/96/09/42/446960942.db2.gz RNUZDZWCBAAUQO-JSGCOSHPSA-N 2 2 328.395 1.743 20 0 EDADLP Cn1nccc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000377159460 446960949 /nfs/dbraw/zinc/96/09/49/446960949.db2.gz RNUZDZWCBAAUQO-JSGCOSHPSA-N 2 2 328.395 1.743 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000442789626 446969361 /nfs/dbraw/zinc/96/93/61/446969361.db2.gz KABGZQHRVQKGOB-DOTOQJQBSA-N 3 2 346.475 1.126 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000442789626 446969367 /nfs/dbraw/zinc/96/93/67/446969367.db2.gz KABGZQHRVQKGOB-DOTOQJQBSA-N 3 2 346.475 1.126 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000442789626 446969372 /nfs/dbraw/zinc/96/93/72/446969372.db2.gz KABGZQHRVQKGOB-DOTOQJQBSA-N 2 2 346.475 1.126 20 0 EDADLP CC[NH+](CC)CCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000368626008 446990642 /nfs/dbraw/zinc/99/06/42/446990642.db2.gz RIOUMUWIEFVKTJ-QGZVFWFLSA-N 2 2 344.463 1.588 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368629788 446991529 /nfs/dbraw/zinc/99/15/29/446991529.db2.gz BVNJUYOSBDEKRT-UHFFFAOYSA-N 2 2 335.452 1.064 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)nc1 ZINC000375714624 446995991 /nfs/dbraw/zinc/99/59/91/446995991.db2.gz PKMMXIYZWNAPDD-GOSISDBHSA-N 2 2 346.475 1.470 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)nc1 ZINC000375714624 446995996 /nfs/dbraw/zinc/99/59/96/446995996.db2.gz PKMMXIYZWNAPDD-GOSISDBHSA-N 2 2 346.475 1.470 20 0 EDADLP COCc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)nc(C(C)(C)C)n1 ZINC000443887376 447065098 /nfs/dbraw/zinc/06/50/98/447065098.db2.gz GQSLCBRYBDNDRU-UHFFFAOYSA-N 2 2 349.523 2.358 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)nc[nH+]1 ZINC000375804399 447065249 /nfs/dbraw/zinc/06/52/49/447065249.db2.gz HZCJTQPRQACQRE-QBPKDAKJSA-N 3 2 344.507 1.950 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)nc[nH+]1 ZINC000375804399 447065255 /nfs/dbraw/zinc/06/52/55/447065255.db2.gz HZCJTQPRQACQRE-QBPKDAKJSA-N 3 2 344.507 1.950 20 0 EDADLP CCn1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000377268561 447029938 /nfs/dbraw/zinc/02/99/38/447029938.db2.gz YLHPGKAOJKZFPB-KRWDZBQOSA-N 2 2 348.495 1.213 20 0 EDADLP CCn1cc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000377268561 447029946 /nfs/dbraw/zinc/02/99/46/447029946.db2.gz YLHPGKAOJKZFPB-KRWDZBQOSA-N 2 2 348.495 1.213 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000372527166 447111534 /nfs/dbraw/zinc/11/15/34/447111534.db2.gz NZBQASYCBBKVFY-SJORKVTESA-N 2 2 346.475 1.405 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000372527166 447111540 /nfs/dbraw/zinc/11/15/40/447111540.db2.gz NZBQASYCBBKVFY-SJORKVTESA-N 2 2 346.475 1.405 20 0 EDADLP COc1c[nH+]ccc1N1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425343937 447123842 /nfs/dbraw/zinc/12/38/42/447123842.db2.gz SOBGZNWVYLJYAK-UHFFFAOYSA-N 2 2 330.436 1.212 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccc(F)cc1 ZINC000444189607 447094238 /nfs/dbraw/zinc/09/42/38/447094238.db2.gz VURMFZOLKGJMMC-RKVPGOIHSA-N 2 2 328.391 1.764 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000455467244 447137200 /nfs/dbraw/zinc/13/72/00/447137200.db2.gz MOMWYLUOFSVGSZ-OAHLLOKOSA-N 2 2 349.479 1.718 20 0 EDADLP Cc1c(Cl)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)nn1C ZINC000421355906 447140678 /nfs/dbraw/zinc/14/06/78/447140678.db2.gz KCGPJHNWDNDBJJ-UHFFFAOYSA-N 2 2 339.915 1.841 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1C ZINC000425363533 447127468 /nfs/dbraw/zinc/12/74/68/447127468.db2.gz WOLUHKNYGOTJJA-GOSISDBHSA-N 3 2 343.475 1.343 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1C ZINC000425363533 447127472 /nfs/dbraw/zinc/12/74/72/447127472.db2.gz WOLUHKNYGOTJJA-GOSISDBHSA-N 3 2 343.475 1.343 20 0 EDADLP C[C@@H](CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[NH+](C)C ZINC000455439540 447131205 /nfs/dbraw/zinc/13/12/05/447131205.db2.gz ZXFJFROTAACQLU-INIZCTEOSA-N 3 2 339.528 1.186 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000375994680 447199041 /nfs/dbraw/zinc/19/90/41/447199041.db2.gz RTBYNOQCXJWBFS-DOTOQJQBSA-N 2 2 342.443 1.873 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CCn2c(C)c(C)[nH+]c2C1)[NH+]1CCOCC1 ZINC000372648785 447205642 /nfs/dbraw/zinc/20/56/42/447205642.db2.gz KERULHQCBBNQEN-SFHVURJKSA-N 2 2 348.491 1.979 20 0 EDADLP Cc1cc(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)nc[nH+]1 ZINC000413590313 447212787 /nfs/dbraw/zinc/21/27/87/447212787.db2.gz YHRZMOICEVSAJB-UHFFFAOYSA-N 2 2 339.443 2.094 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000376033008 447222456 /nfs/dbraw/zinc/22/24/56/447222456.db2.gz RHQDTYLOXFFODE-OAHLLOKOSA-N 2 2 342.443 1.589 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000376033008 447222462 /nfs/dbraw/zinc/22/24/62/447222462.db2.gz RHQDTYLOXFFODE-OAHLLOKOSA-N 2 2 342.443 1.589 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CC[C@H](O)c3ccccc3)CCO2)CC1 ZINC000377586177 447225159 /nfs/dbraw/zinc/22/51/59/447225159.db2.gz XKJNLYJASXVTTK-MOPGFXCFSA-N 2 2 333.476 1.058 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CC[C@H](O)c3ccccc3)CCO2)CC1 ZINC000377586177 447225166 /nfs/dbraw/zinc/22/51/66/447225166.db2.gz XKJNLYJASXVTTK-MOPGFXCFSA-N 2 2 333.476 1.058 20 0 EDADLP COCCSCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376054750 447239332 /nfs/dbraw/zinc/23/93/32/447239332.db2.gz OLQURMZYVXGDIE-DLBZAZTESA-N 2 2 329.554 1.714 20 0 EDADLP COCCSCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376054750 447239342 /nfs/dbraw/zinc/23/93/42/447239342.db2.gz OLQURMZYVXGDIE-DLBZAZTESA-N 2 2 329.554 1.714 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000369047008 447285597 /nfs/dbraw/zinc/28/55/97/447285597.db2.gz KEAKQXQDZJKKJF-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ccc(N3CC[NH+](C)CC3)cn2)n1C ZINC000414303834 447289817 /nfs/dbraw/zinc/28/98/17/447289817.db2.gz VSNVANRYVPFAQL-UHFFFAOYSA-N 2 2 329.452 1.245 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)n1C ZINC000414303834 447289821 /nfs/dbraw/zinc/28/98/21/447289821.db2.gz VSNVANRYVPFAQL-UHFFFAOYSA-N 3 2 329.452 1.245 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000414309496 447291128 /nfs/dbraw/zinc/29/11/28/447291128.db2.gz RVTZHQOIBWUKMA-HKUYNNGSSA-N 3 2 331.504 1.943 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000414309496 447291131 /nfs/dbraw/zinc/29/11/31/447291131.db2.gz RVTZHQOIBWUKMA-HKUYNNGSSA-N 3 2 331.504 1.943 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421825861 447261437 /nfs/dbraw/zinc/26/14/37/447261437.db2.gz PQRHTDUVNJUKFR-MJGOQNOKSA-N 2 2 344.503 1.861 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421825861 447261441 /nfs/dbraw/zinc/26/14/41/447261441.db2.gz PQRHTDUVNJUKFR-MJGOQNOKSA-N 2 2 344.503 1.861 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000377639993 447263947 /nfs/dbraw/zinc/26/39/47/447263947.db2.gz HIVXMRKCPUTRGG-IBGZPJMESA-N 2 2 343.471 1.444 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000377657694 447277044 /nfs/dbraw/zinc/27/70/44/447277044.db2.gz VHVRNXOSTBODLE-QAPCUYQASA-N 2 2 343.487 1.672 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000377657694 447277050 /nfs/dbraw/zinc/27/70/50/447277050.db2.gz VHVRNXOSTBODLE-QAPCUYQASA-N 2 2 343.487 1.672 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079161 447476376 /nfs/dbraw/zinc/47/63/76/447476376.db2.gz MTTPZFALFLSXDL-JKSUJKDBSA-N 2 2 348.495 1.603 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079161 447476378 /nfs/dbraw/zinc/47/63/78/447476378.db2.gz MTTPZFALFLSXDL-JKSUJKDBSA-N 2 2 348.495 1.603 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458846276 447488453 /nfs/dbraw/zinc/48/84/53/447488453.db2.gz JKOKHASIRLBCQP-CALCHBBNSA-N 2 2 338.496 1.415 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458846276 447488459 /nfs/dbraw/zinc/48/84/59/447488459.db2.gz JKOKHASIRLBCQP-CALCHBBNSA-N 2 2 338.496 1.415 20 0 EDADLP CC[N@@H+](CCNC(=O)NCCn1cc[nH+]c1C)CCC(F)(F)F ZINC000494964497 447468964 /nfs/dbraw/zinc/46/89/64/447468964.db2.gz PWZYLNSRGNCCGF-UHFFFAOYSA-N 2 2 335.374 1.765 20 0 EDADLP Cn1c[nH+]cc1CC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000401783195 447580903 /nfs/dbraw/zinc/58/09/03/447580903.db2.gz RMOGPHMHCDTPSI-UHFFFAOYSA-N 2 2 327.837 1.809 20 0 EDADLP O=C(COc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCC1CC1 ZINC000427107209 447545457 /nfs/dbraw/zinc/54/54/57/447545457.db2.gz IRCOSHSEUXYKMH-AEFFLSMTSA-N 2 2 343.471 1.775 20 0 EDADLP O=C(COc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCC1CC1 ZINC000427107209 447545465 /nfs/dbraw/zinc/54/54/65/447545465.db2.gz IRCOSHSEUXYKMH-AEFFLSMTSA-N 2 2 343.471 1.775 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000459146719 447594941 /nfs/dbraw/zinc/59/49/41/447594941.db2.gz JBKWIMBTOXRKOP-KRWDZBQOSA-N 2 2 345.447 1.573 20 0 EDADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)O1 ZINC000459156439 447598010 /nfs/dbraw/zinc/59/80/10/447598010.db2.gz BSPSCNJESXCTKZ-ZMSDIMECSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)O1 ZINC000459156439 447598017 /nfs/dbraw/zinc/59/80/17/447598017.db2.gz BSPSCNJESXCTKZ-ZMSDIMECSA-N 2 2 338.496 1.364 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000416882698 447700388 /nfs/dbraw/zinc/70/03/88/447700388.db2.gz IMZVWVQKOCWFFT-SJORKVTESA-N 2 2 332.448 1.111 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000416885041 447701632 /nfs/dbraw/zinc/70/16/32/447701632.db2.gz LQBHVEXTHMYVGX-VYDXJSESSA-N 2 2 334.464 1.403 20 0 EDADLP [NH3+]CC[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(F)F ZINC000416916665 447709450 /nfs/dbraw/zinc/70/94/50/447709450.db2.gz NRCYVUGKGOVOIK-AWEZNQCLSA-N 2 2 337.374 1.713 20 0 EDADLP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451023324 447653609 /nfs/dbraw/zinc/65/36/09/447653609.db2.gz FNBZTMFQWMVQAP-CVEARBPZSA-N 2 2 337.464 1.777 20 0 EDADLP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451023324 447653614 /nfs/dbraw/zinc/65/36/14/447653614.db2.gz FNBZTMFQWMVQAP-CVEARBPZSA-N 2 2 337.464 1.777 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422632990 447680138 /nfs/dbraw/zinc/68/01/38/447680138.db2.gz HPNUEZIGUGPJAM-YDHLFZDLSA-N 2 2 333.432 1.717 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422632990 447680143 /nfs/dbraw/zinc/68/01/43/447680143.db2.gz HPNUEZIGUGPJAM-YDHLFZDLSA-N 2 2 333.432 1.717 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416814841 447691016 /nfs/dbraw/zinc/69/10/16/447691016.db2.gz NOMWQMQFSAYXOG-WMZOPIPTSA-N 2 2 346.475 1.186 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416814841 447691023 /nfs/dbraw/zinc/69/10/23/447691023.db2.gz NOMWQMQFSAYXOG-WMZOPIPTSA-N 2 2 346.475 1.186 20 0 EDADLP CN(C)c1nc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000428676347 447715195 /nfs/dbraw/zinc/71/51/95/447715195.db2.gz YKLDUJHVKRURKG-INIZCTEOSA-N 2 2 343.500 2.572 20 0 EDADLP CN(C)c1nc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000428676347 447715199 /nfs/dbraw/zinc/71/51/99/447715199.db2.gz YKLDUJHVKRURKG-INIZCTEOSA-N 2 2 343.500 2.572 20 0 EDADLP O=C1CCCN1Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422707770 447722018 /nfs/dbraw/zinc/72/20/18/447722018.db2.gz AVNMUQDDKOQORO-AZUAARDMSA-N 2 2 343.471 1.666 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000416994151 447730027 /nfs/dbraw/zinc/73/00/27/447730027.db2.gz JNDDRKCCGZXPGN-SJLPKXTDSA-N 2 2 348.491 1.523 20 0 EDADLP COc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000422774213 447747576 /nfs/dbraw/zinc/74/75/76/447747576.db2.gz WCZYSLQVGARGEL-DLBZAZTESA-N 2 2 336.432 1.569 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000422819321 447758607 /nfs/dbraw/zinc/75/86/07/447758607.db2.gz MRLOHMVDIQWGIT-FUHWJXTLSA-N 2 2 342.443 1.357 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000422829739 447762856 /nfs/dbraw/zinc/76/28/56/447762856.db2.gz HVGDJSTWROLPRN-IRXDYDNUSA-N 2 2 328.416 1.315 20 0 EDADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000452086090 447813961 /nfs/dbraw/zinc/81/39/61/447813961.db2.gz LCCJLSDYVXMBSU-CQSZACIVSA-N 2 2 345.443 1.108 20 0 EDADLP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)ccc1OCC(=O)N(C)C ZINC000422926229 447774140 /nfs/dbraw/zinc/77/41/40/447774140.db2.gz CIBSAXINFBWFEP-HIFRSBDPSA-N 2 2 335.448 1.392 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000430555691 447777285 /nfs/dbraw/zinc/77/72/85/447777285.db2.gz JIDWRXWOEHWZAY-MRXNPFEDSA-N 2 2 334.464 1.632 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000430555691 447777288 /nfs/dbraw/zinc/77/72/88/447777288.db2.gz JIDWRXWOEHWZAY-MRXNPFEDSA-N 2 2 334.464 1.632 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)CC(C)(C)C[NH3+] ZINC000430592179 447781859 /nfs/dbraw/zinc/78/18/59/447781859.db2.gz LWGUINAFZGSULW-MRXNPFEDSA-N 2 2 332.492 1.546 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1CCN(c2ccccc2)C1)CC(C)(C)C[NH3+] ZINC000430592179 447781862 /nfs/dbraw/zinc/78/18/62/447781862.db2.gz LWGUINAFZGSULW-MRXNPFEDSA-N 2 2 332.492 1.546 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C1 ZINC000430969791 447789018 /nfs/dbraw/zinc/78/90/18/447789018.db2.gz GPLYJZYMEJKIFU-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C1 ZINC000430969791 447789022 /nfs/dbraw/zinc/78/90/22/447789022.db2.gz GPLYJZYMEJKIFU-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000423108954 447806582 /nfs/dbraw/zinc/80/65/82/447806582.db2.gz MXVATSXXBBVDDU-BPUTZDHNSA-N 2 2 345.409 1.798 20 0 EDADLP CO[C@@H]1C[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C[C@H]1OC ZINC000488560444 447848726 /nfs/dbraw/zinc/84/87/26/447848726.db2.gz PBGUMRNOIFXTEC-ZIAGYGMSSA-N 2 2 325.478 1.755 20 0 EDADLP CO[C@@H]1C[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C[C@H]1OC ZINC000488560444 447848729 /nfs/dbraw/zinc/84/87/29/447848729.db2.gz PBGUMRNOIFXTEC-ZIAGYGMSSA-N 2 2 325.478 1.755 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)C[C@@H](C)O1 ZINC000575742693 447887267 /nfs/dbraw/zinc/88/72/67/447887267.db2.gz LVYBJFLDWVVGFF-TVFCKZIOSA-N 2 2 340.508 1.928 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496821279 447941609 /nfs/dbraw/zinc/94/16/09/447941609.db2.gz PSKRLTYMMZYJRD-DLBZAZTESA-N 2 2 341.496 1.822 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496821279 447941614 /nfs/dbraw/zinc/94/16/14/447941614.db2.gz PSKRLTYMMZYJRD-DLBZAZTESA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496821279 447941620 /nfs/dbraw/zinc/94/16/20/447941620.db2.gz PSKRLTYMMZYJRD-DLBZAZTESA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000496821279 447941624 /nfs/dbraw/zinc/94/16/24/447941624.db2.gz PSKRLTYMMZYJRD-DLBZAZTESA-N 2 2 341.496 1.822 20 0 EDADLP O=C1[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCN1c1ccccc1F ZINC000570173647 447958584 /nfs/dbraw/zinc/95/85/84/447958584.db2.gz NDUKCBXSKRQZCR-INIZCTEOSA-N 2 2 343.406 1.866 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CCCO1 ZINC000569912645 447915627 /nfs/dbraw/zinc/91/56/27/447915627.db2.gz BFCRCRXDYFPSLC-ZWKOTPCHSA-N 2 2 331.460 1.790 20 0 EDADLP [NH3+]C[C@H]1C[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CCCO1 ZINC000569912645 447915632 /nfs/dbraw/zinc/91/56/32/447915632.db2.gz BFCRCRXDYFPSLC-ZWKOTPCHSA-N 2 2 331.460 1.790 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569999932 447932291 /nfs/dbraw/zinc/93/22/91/447932291.db2.gz CZTYJARQMMNNBI-BRWVUGGUSA-N 2 2 330.432 1.871 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569999932 447932298 /nfs/dbraw/zinc/93/22/98/447932298.db2.gz CZTYJARQMMNNBI-BRWVUGGUSA-N 2 2 330.432 1.871 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C[S@@](C)=O)CC2)CC1 ZINC000553557575 447995242 /nfs/dbraw/zinc/99/52/42/447995242.db2.gz ZHNCUBQVQIWQNI-QKFKETGDSA-N 2 2 343.537 1.066 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000576197859 447995841 /nfs/dbraw/zinc/99/58/41/447995841.db2.gz XPGKJBKUXGEPSW-IUODEOHRSA-N 2 2 346.456 1.582 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000576197859 447995844 /nfs/dbraw/zinc/99/58/44/447995844.db2.gz XPGKJBKUXGEPSW-IUODEOHRSA-N 2 2 346.456 1.582 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211272 447999717 /nfs/dbraw/zinc/99/97/17/447999717.db2.gz NSGBLBRUEDPUEC-KBAYOESNSA-N 2 2 346.475 1.327 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211272 447999724 /nfs/dbraw/zinc/99/97/24/447999724.db2.gz NSGBLBRUEDPUEC-KBAYOESNSA-N 2 2 346.475 1.327 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000570642380 448041966 /nfs/dbraw/zinc/04/19/66/448041966.db2.gz NQLIVOPRHAMCBS-UHFFFAOYSA-N 2 2 344.434 1.879 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000497300003 448052370 /nfs/dbraw/zinc/05/23/70/448052370.db2.gz UJRIYBJKDIXYIC-HRCADAONSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000497300003 448052376 /nfs/dbraw/zinc/05/23/76/448052376.db2.gz UJRIYBJKDIXYIC-HRCADAONSA-N 2 2 341.496 1.869 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C)[NH+]2CCSCC2)C1 ZINC000502587211 448104583 /nfs/dbraw/zinc/10/45/83/448104583.db2.gz XYAPSCJHOWDEIX-JYJNAYRXSA-N 2 2 341.521 1.135 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000511906654 448154536 /nfs/dbraw/zinc/15/45/36/448154536.db2.gz PZLBUBPBGAMXLE-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000511906654 448154539 /nfs/dbraw/zinc/15/45/39/448154539.db2.gz PZLBUBPBGAMXLE-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)[C@H](C)C1 ZINC000571444774 448156052 /nfs/dbraw/zinc/15/60/52/448156052.db2.gz PHYKASPTLKZXHX-KFWWJZLASA-N 2 2 338.473 1.541 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)[C@H](C)C1 ZINC000571444774 448156053 /nfs/dbraw/zinc/15/60/53/448156053.db2.gz PHYKASPTLKZXHX-KFWWJZLASA-N 2 2 338.473 1.541 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(C)CC[N@H+](C)C3CC3)ccc2n1C ZINC000526695886 448114090 /nfs/dbraw/zinc/11/40/90/448114090.db2.gz YZFQNGLQAGEOTA-UHFFFAOYSA-N 2 2 343.431 1.373 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)ccc2n1C ZINC000526695886 448114094 /nfs/dbraw/zinc/11/40/94/448114094.db2.gz YZFQNGLQAGEOTA-UHFFFAOYSA-N 2 2 343.431 1.373 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1 ZINC000571315252 448135870 /nfs/dbraw/zinc/13/58/70/448135870.db2.gz DNDCRSOGKVBQHM-CVEARBPZSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1 ZINC000571315252 448135874 /nfs/dbraw/zinc/13/58/74/448135874.db2.gz DNDCRSOGKVBQHM-CVEARBPZSA-N 2 2 337.851 1.490 20 0 EDADLP O=C(CC[NH2+][C@H]1CCC[N@@H+](CCCO)C1)Nc1cc(F)cc(F)c1 ZINC000514604435 448171309 /nfs/dbraw/zinc/17/13/09/448171309.db2.gz YMJCIFUJKGULTO-HNNXBMFYSA-N 2 2 341.402 1.730 20 0 EDADLP O=C(CC[NH2+][C@H]1CCC[N@H+](CCCO)C1)Nc1cc(F)cc(F)c1 ZINC000514604435 448171312 /nfs/dbraw/zinc/17/13/12/448171312.db2.gz YMJCIFUJKGULTO-HNNXBMFYSA-N 2 2 341.402 1.730 20 0 EDADLP COc1cccc(C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000571625659 448182032 /nfs/dbraw/zinc/18/20/32/448182032.db2.gz QMPUAXMPFBHGHW-HNNXBMFYSA-N 2 2 334.464 1.257 20 0 EDADLP COc1cccc(C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000571625659 448182036 /nfs/dbraw/zinc/18/20/36/448182036.db2.gz QMPUAXMPFBHGHW-HNNXBMFYSA-N 2 2 334.464 1.257 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000582428410 448237670 /nfs/dbraw/zinc/23/76/70/448237670.db2.gz MLMDEKHERSZOGH-INIZCTEOSA-N 2 2 328.497 1.739 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000582428410 448237675 /nfs/dbraw/zinc/23/76/75/448237675.db2.gz MLMDEKHERSZOGH-INIZCTEOSA-N 2 2 328.497 1.739 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)ccc2n1C ZINC000527353080 448213389 /nfs/dbraw/zinc/21/33/89/448213389.db2.gz PXIFWYFXLYJOFB-UHFFFAOYSA-N 2 2 331.420 1.230 20 0 EDADLP C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000492763084 448281646 /nfs/dbraw/zinc/28/16/46/448281646.db2.gz IYALQOFWVIZUDO-KJTGTQQJSA-N 2 2 340.427 1.829 20 0 EDADLP C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000492763084 448281653 /nfs/dbraw/zinc/28/16/53/448281653.db2.gz IYALQOFWVIZUDO-KJTGTQQJSA-N 2 2 340.427 1.829 20 0 EDADLP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000572121455 448293723 /nfs/dbraw/zinc/29/37/23/448293723.db2.gz WLWWEHYZLRMJLF-ZWKOTPCHSA-N 2 2 336.476 1.425 20 0 EDADLP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000572121455 448293729 /nfs/dbraw/zinc/29/37/29/448293729.db2.gz WLWWEHYZLRMJLF-ZWKOTPCHSA-N 2 2 336.476 1.425 20 0 EDADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(OC(F)F)cc1C ZINC000582617356 448294225 /nfs/dbraw/zinc/29/42/25/448294225.db2.gz NMXFHDBKIUXOQD-KBPBESRZSA-N 2 2 339.386 1.649 20 0 EDADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(OC(F)F)cc1C ZINC000582617356 448294228 /nfs/dbraw/zinc/29/42/28/448294228.db2.gz NMXFHDBKIUXOQD-KBPBESRZSA-N 2 2 339.386 1.649 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)n1C ZINC000572304605 448341446 /nfs/dbraw/zinc/34/14/46/448341446.db2.gz VPQPRWATCVQCQR-INIZCTEOSA-N 3 2 333.505 1.868 20 0 EDADLP CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@H]3CCC[N@H+](C)C3)C2=O)cc1 ZINC000577622400 448343484 /nfs/dbraw/zinc/34/34/84/448343484.db2.gz UWARZYFWVJHTIP-RHSMWYFYSA-N 2 2 345.443 1.649 20 0 EDADLP CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@H]3CCC[N@@H+](C)C3)C2=O)cc1 ZINC000577622400 448343490 /nfs/dbraw/zinc/34/34/90/448343490.db2.gz UWARZYFWVJHTIP-RHSMWYFYSA-N 2 2 345.443 1.649 20 0 EDADLP CC(C)(CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)[NH+]1CCOCC1 ZINC000582834554 448353712 /nfs/dbraw/zinc/35/37/12/448353712.db2.gz OXUORVUOUMIQDE-KRWDZBQOSA-N 2 2 346.475 1.283 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])CC(C)C ZINC000577831083 448394616 /nfs/dbraw/zinc/39/46/16/448394616.db2.gz YQHMTBMRLYWYCW-JKSUJKDBSA-N 3 2 327.517 1.027 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])CC(C)C ZINC000577831083 448394619 /nfs/dbraw/zinc/39/46/19/448394619.db2.gz YQHMTBMRLYWYCW-JKSUJKDBSA-N 3 2 327.517 1.027 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)CC2 ZINC000572538903 448404324 /nfs/dbraw/zinc/40/43/24/448404324.db2.gz MRSFCDQMKXGAGS-XJKSGUPXSA-N 2 2 347.459 1.400 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)CC2 ZINC000572538903 448404329 /nfs/dbraw/zinc/40/43/29/448404329.db2.gz MRSFCDQMKXGAGS-XJKSGUPXSA-N 2 2 347.459 1.400 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000516262888 448405402 /nfs/dbraw/zinc/40/54/02/448405402.db2.gz CHUWDMWHTDXBNV-GOEBONIOSA-N 2 2 336.505 1.963 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000591634528 448420499 /nfs/dbraw/zinc/42/04/99/448420499.db2.gz WRHWXTHPRCPZLL-XHSDSOJGSA-N 2 2 335.452 1.339 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000516568424 448440636 /nfs/dbraw/zinc/44/06/36/448440636.db2.gz BXFUCRAKEXALGX-PMPSAXMXSA-N 2 2 339.480 1.285 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000516568424 448440642 /nfs/dbraw/zinc/44/06/42/448440642.db2.gz BXFUCRAKEXALGX-PMPSAXMXSA-N 2 2 339.480 1.285 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN(C)CC1 ZINC000578024233 448443561 /nfs/dbraw/zinc/44/35/61/448443561.db2.gz RHQDGNVETHUMRW-IEBWSBKVSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN(C)CC1 ZINC000578024233 448443566 /nfs/dbraw/zinc/44/35/66/448443566.db2.gz RHQDGNVETHUMRW-IEBWSBKVSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[NH+]3CC(C)(C)C3)c[nH+]2)C[C@H](C)O1 ZINC000516662346 448460577 /nfs/dbraw/zinc/46/05/77/448460577.db2.gz ZZDZVIDRVCGRKI-GASCZTMLSA-N 2 2 346.475 1.653 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCC[C@@H](C)C1 ZINC000578117346 448463295 /nfs/dbraw/zinc/46/32/95/448463295.db2.gz UUKQWAWVOTUWIV-TWMKSMIVSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCC[C@@H](C)C1 ZINC000578117346 448463297 /nfs/dbraw/zinc/46/32/97/448463297.db2.gz UUKQWAWVOTUWIV-TWMKSMIVSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+]1CCC[C@@H](C)C1 ZINC000578117346 448463303 /nfs/dbraw/zinc/46/33/03/448463303.db2.gz UUKQWAWVOTUWIV-TWMKSMIVSA-N 2 2 338.496 1.269 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000578132649 448469742 /nfs/dbraw/zinc/46/97/42/448469742.db2.gz PRUHECCWAWAQFT-UONOGXRCSA-N 2 2 335.448 1.552 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000578132649 448469747 /nfs/dbraw/zinc/46/97/47/448469747.db2.gz PRUHECCWAWAQFT-UONOGXRCSA-N 2 2 335.448 1.552 20 0 EDADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000516924236 448498169 /nfs/dbraw/zinc/49/81/69/448498169.db2.gz JMWINBZVQIFYRE-VNQPRFMTSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000516924236 448498174 /nfs/dbraw/zinc/49/81/74/448498174.db2.gz JMWINBZVQIFYRE-VNQPRFMTSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000516924236 448498180 /nfs/dbraw/zinc/49/81/80/448498180.db2.gz JMWINBZVQIFYRE-VNQPRFMTSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000516924236 448498185 /nfs/dbraw/zinc/49/81/85/448498185.db2.gz JMWINBZVQIFYRE-VNQPRFMTSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000591865364 448507962 /nfs/dbraw/zinc/50/79/62/448507962.db2.gz WSWJYWZWUMFYQY-MJGOQNOKSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591865364 448507969 /nfs/dbraw/zinc/50/79/69/448507969.db2.gz WSWJYWZWUMFYQY-MJGOQNOKSA-N 2 2 345.487 1.688 20 0 EDADLP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000516966104 448511130 /nfs/dbraw/zinc/51/11/30/448511130.db2.gz VJYATMBMVWBRHH-XHSDSOJGSA-N 2 2 345.443 1.945 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000517038272 448530010 /nfs/dbraw/zinc/53/00/10/448530010.db2.gz RXTAIIIKLDIUPX-HNNXBMFYSA-N 2 2 327.494 1.307 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000517038272 448530014 /nfs/dbraw/zinc/53/00/14/448530014.db2.gz RXTAIIIKLDIUPX-HNNXBMFYSA-N 2 2 327.494 1.307 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000517038272 448530019 /nfs/dbraw/zinc/53/00/19/448530019.db2.gz RXTAIIIKLDIUPX-HNNXBMFYSA-N 2 2 327.494 1.307 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000517038272 448530023 /nfs/dbraw/zinc/53/00/23/448530023.db2.gz RXTAIIIKLDIUPX-HNNXBMFYSA-N 2 2 327.494 1.307 20 0 EDADLP Cc1ccc(NCCCNC(=O)Cn2c[nH+]c3c2CCCC3)[nH+]c1 ZINC000537581198 448559974 /nfs/dbraw/zinc/55/99/74/448559974.db2.gz LHRFPHXTRGGNKH-UHFFFAOYSA-N 2 2 327.432 2.084 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000578502000 448562036 /nfs/dbraw/zinc/56/20/36/448562036.db2.gz PMORMKCADWWPMJ-UHFFFAOYSA-N 2 2 332.448 1.565 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000578502000 448562042 /nfs/dbraw/zinc/56/20/42/448562042.db2.gz PMORMKCADWWPMJ-UHFFFAOYSA-N 2 2 332.448 1.565 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000584574756 448573610 /nfs/dbraw/zinc/57/36/10/448573610.db2.gz MWDVMDYKEMHAGO-QGZVFWFLSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000584574756 448573615 /nfs/dbraw/zinc/57/36/15/448573615.db2.gz MWDVMDYKEMHAGO-QGZVFWFLSA-N 2 2 326.444 1.991 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000573117640 448549679 /nfs/dbraw/zinc/54/96/79/448549679.db2.gz IXORVMFTLYPWAF-CVEARBPZSA-N 2 2 334.464 1.518 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](C)S(C)(=O)=O)c2cc1C ZINC000584715640 448604764 /nfs/dbraw/zinc/60/47/64/448604764.db2.gz XPFZBVYHTVEPID-KGLIPLIRSA-N 2 2 339.461 1.037 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000573414173 448617490 /nfs/dbraw/zinc/61/74/90/448617490.db2.gz BLZFCBCGVYGMLW-WFASDCNBSA-N 2 2 333.461 1.931 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000573414173 448617494 /nfs/dbraw/zinc/61/74/94/448617494.db2.gz BLZFCBCGVYGMLW-WFASDCNBSA-N 2 2 333.461 1.931 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000573263252 448583099 /nfs/dbraw/zinc/58/30/99/448583099.db2.gz OBTSKDGRONHUCV-CYBMUJFWSA-N 2 2 334.370 1.804 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000573263252 448583104 /nfs/dbraw/zinc/58/31/04/448583104.db2.gz OBTSKDGRONHUCV-CYBMUJFWSA-N 2 2 334.370 1.804 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC000584616278 448584729 /nfs/dbraw/zinc/58/47/29/448584729.db2.gz IVJJLIDJIAELSN-NUJGCVRESA-N 2 2 348.491 1.699 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC000584616278 448584734 /nfs/dbraw/zinc/58/47/34/448584734.db2.gz IVJJLIDJIAELSN-NUJGCVRESA-N 2 2 348.491 1.699 20 0 EDADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000566947838 448588792 /nfs/dbraw/zinc/58/87/92/448588792.db2.gz ZTHFESFAWIOBBI-ILXRZTDVSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C[N@H+]1C1CC1 ZINC000566947838 448588797 /nfs/dbraw/zinc/58/87/97/448588797.db2.gz ZTHFESFAWIOBBI-ILXRZTDVSA-N 2 2 331.464 1.722 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC[C@@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000573318200 448595760 /nfs/dbraw/zinc/59/57/60/448595760.db2.gz LOWXGXHHLSGBBF-LMMKCTJWSA-N 2 2 335.492 1.269 20 0 EDADLP CC(C)C[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH+]1CCOCC1 ZINC000540883575 448648150 /nfs/dbraw/zinc/64/81/50/448648150.db2.gz WVYKTSOXGRRADF-INIZCTEOSA-N 2 2 348.491 1.625 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000540883169 448648267 /nfs/dbraw/zinc/64/82/67/448648267.db2.gz JIROIKPQPVLGRV-MRXNPFEDSA-N 2 2 347.507 1.152 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000540883169 448648271 /nfs/dbraw/zinc/64/82/71/448648271.db2.gz JIROIKPQPVLGRV-MRXNPFEDSA-N 2 2 347.507 1.152 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000573547887 448655040 /nfs/dbraw/zinc/65/50/40/448655040.db2.gz SODMADYMOWHAAR-MSOLQXFVSA-N 2 2 346.475 1.420 20 0 EDADLP Cc1cc(C)n(-c2ccc(CC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000518371893 448669929 /nfs/dbraw/zinc/66/99/29/448669929.db2.gz RSHWIFFMWZAQBA-SFHVURJKSA-N 2 2 341.459 1.133 20 0 EDADLP Cc1cc(C)n(-c2ccc(CC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000518371893 448669933 /nfs/dbraw/zinc/66/99/33/448669933.db2.gz RSHWIFFMWZAQBA-SFHVURJKSA-N 2 2 341.459 1.133 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000579004929 448694518 /nfs/dbraw/zinc/69/45/18/448694518.db2.gz RCEWGAXUBLWXOH-UHFFFAOYSA-N 2 2 342.443 1.869 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C(C)C ZINC000541593056 448680906 /nfs/dbraw/zinc/68/09/06/448680906.db2.gz NQNNABGBHDZPQQ-LJQANCHMSA-N 2 2 347.503 1.900 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000578980706 448684160 /nfs/dbraw/zinc/68/41/60/448684160.db2.gz OEQMZAUJNNCWMU-HOTGVXAUSA-N 2 2 348.495 1.706 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@@H](C)[NH+]3CC(C)C3)CC2)nc(C)[nH+]1 ZINC000579270192 448758442 /nfs/dbraw/zinc/75/84/42/448758442.db2.gz VKXKGSZBAVYPDX-CQSZACIVSA-N 2 2 331.464 1.519 20 0 EDADLP CNC(=O)[C@@H](C[NH2+]Cc1c[nH+]c(C)n1C)Cc1ccc(OC)c(F)c1 ZINC000579495529 448809895 /nfs/dbraw/zinc/80/98/95/448809895.db2.gz DSGODRHOTFOITN-CQSZACIVSA-N 2 2 348.422 1.571 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000592278324 448771496 /nfs/dbraw/zinc/77/14/96/448771496.db2.gz JRAGEVGBCLZJFB-OAGGEKHMSA-N 2 2 339.480 1.013 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000592278324 448771501 /nfs/dbraw/zinc/77/15/01/448771501.db2.gz JRAGEVGBCLZJFB-OAGGEKHMSA-N 2 2 339.480 1.013 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)CC1Cc2ccccc2C1 ZINC000579536349 448813633 /nfs/dbraw/zinc/81/36/33/448813633.db2.gz CJZVDVFWIGEFPT-UHFFFAOYSA-N 2 2 345.487 1.124 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)CC1Cc2ccccc2C1 ZINC000579536349 448813638 /nfs/dbraw/zinc/81/36/38/448813638.db2.gz CJZVDVFWIGEFPT-UHFFFAOYSA-N 2 2 345.487 1.124 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)n1C ZINC000519517089 448774679 /nfs/dbraw/zinc/77/46/79/448774679.db2.gz DHSYEEJBHKULSG-UHFFFAOYSA-N 2 2 345.451 1.361 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000519576939 448787880 /nfs/dbraw/zinc/78/78/80/448787880.db2.gz ILLFIKZTMSPGBM-RHSMWYFYSA-N 2 2 341.459 1.955 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000519576939 448787885 /nfs/dbraw/zinc/78/78/85/448787885.db2.gz ILLFIKZTMSPGBM-RHSMWYFYSA-N 2 2 341.459 1.955 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC[N@@H+]1C ZINC000574092016 448788829 /nfs/dbraw/zinc/78/88/29/448788829.db2.gz NRMMROVGTGMMAW-RDJZCZTQSA-N 2 2 344.463 1.376 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2cnn(C)c2)CC[N@H+]1C ZINC000574092016 448788838 /nfs/dbraw/zinc/78/88/38/448788838.db2.gz NRMMROVGTGMMAW-RDJZCZTQSA-N 2 2 344.463 1.376 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529332433 448829327 /nfs/dbraw/zinc/82/93/27/448829327.db2.gz RWLAQACVEIQLCT-ZBFHGGJFSA-N 2 2 349.479 1.764 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCCCc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000574260993 448829954 /nfs/dbraw/zinc/82/99/54/448829954.db2.gz KUPCSQPADIWQCU-QGZVFWFLSA-N 2 2 336.455 1.823 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCCCc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000574260993 448829958 /nfs/dbraw/zinc/82/99/58/448829958.db2.gz KUPCSQPADIWQCU-QGZVFWFLSA-N 2 2 336.455 1.823 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)nc(C(C)C)[nH+]1 ZINC000529367767 448843172 /nfs/dbraw/zinc/84/31/72/448843172.db2.gz RHRGDANYQSESCB-SFHVURJKSA-N 2 2 346.479 1.715 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000529377577 448849135 /nfs/dbraw/zinc/84/91/35/448849135.db2.gz QPXSFSVQIMEZTI-INIZCTEOSA-N 2 2 335.452 1.073 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592479168 448854005 /nfs/dbraw/zinc/85/40/05/448854005.db2.gz TUZQKCHPEZCKDG-DOTOQJQBSA-N 2 2 345.443 1.876 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592479168 448854009 /nfs/dbraw/zinc/85/40/09/448854009.db2.gz TUZQKCHPEZCKDG-DOTOQJQBSA-N 2 2 345.443 1.876 20 0 EDADLP C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)n1cc[nH+]c1 ZINC000520414924 448896882 /nfs/dbraw/zinc/89/68/82/448896882.db2.gz AYLSIQCRHPBFSH-LSDHHAIUSA-N 2 2 328.420 1.357 20 0 EDADLP C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)n1cc[nH+]c1 ZINC000520414924 448896887 /nfs/dbraw/zinc/89/68/87/448896887.db2.gz AYLSIQCRHPBFSH-LSDHHAIUSA-N 2 2 328.420 1.357 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000574548495 448900685 /nfs/dbraw/zinc/90/06/85/448900685.db2.gz DCYVPIMYDAQLRT-LLVKDONJSA-N 2 2 345.274 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000574548495 448900691 /nfs/dbraw/zinc/90/06/91/448900691.db2.gz DCYVPIMYDAQLRT-LLVKDONJSA-N 2 2 345.274 1.820 20 0 EDADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)c21 ZINC000592559111 448901889 /nfs/dbraw/zinc/90/18/89/448901889.db2.gz LJZPEEQWWVVNSX-GXTWGEPZSA-N 2 2 328.420 1.810 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000520549655 448909730 /nfs/dbraw/zinc/90/97/30/448909730.db2.gz XQHPNOKLCXDLPA-RZFLPCETSA-N 2 2 337.427 1.629 20 0 EDADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000529703109 448930886 /nfs/dbraw/zinc/93/08/86/448930886.db2.gz VOWOVPAGSCTNOC-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000529703109 448930891 /nfs/dbraw/zinc/93/08/91/448930891.db2.gz VOWOVPAGSCTNOC-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000529703109 448930895 /nfs/dbraw/zinc/93/08/95/448930895.db2.gz VOWOVPAGSCTNOC-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000529703109 448930896 /nfs/dbraw/zinc/93/08/96/448930896.db2.gz VOWOVPAGSCTNOC-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000579849086 448895881 /nfs/dbraw/zinc/89/58/81/448895881.db2.gz JBWPZDJIPPRXDE-BRWVUGGUSA-N 2 2 330.476 1.441 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000579849086 448895886 /nfs/dbraw/zinc/89/58/86/448895886.db2.gz JBWPZDJIPPRXDE-BRWVUGGUSA-N 2 2 330.476 1.441 20 0 EDADLP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000569093003 448960113 /nfs/dbraw/zinc/96/01/13/448960113.db2.gz LABLNBKTCRUWRH-WMZOPIPTSA-N 2 2 346.475 1.440 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC[C@@H]1CCC[NH2+]1 ZINC000521217323 448962779 /nfs/dbraw/zinc/96/27/79/448962779.db2.gz SCVUWCOXMCQBHQ-AWEZNQCLSA-N 2 2 336.867 1.749 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC[C@@H]1CCC[NH2+]1 ZINC000521217323 448962783 /nfs/dbraw/zinc/96/27/83/448962783.db2.gz SCVUWCOXMCQBHQ-AWEZNQCLSA-N 2 2 336.867 1.749 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000521267727 448968598 /nfs/dbraw/zinc/96/85/98/448968598.db2.gz XHEUOZQQSXSWSR-IIAWOOMASA-N 2 2 330.432 1.202 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000521267727 448968603 /nfs/dbraw/zinc/96/86/03/448968603.db2.gz XHEUOZQQSXSWSR-IIAWOOMASA-N 2 2 330.432 1.202 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161885 448979329 /nfs/dbraw/zinc/97/93/29/448979329.db2.gz GCYFJFZDWYXOQY-QWHCGFSZSA-N 2 2 338.477 1.394 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161885 448979334 /nfs/dbraw/zinc/97/93/34/448979334.db2.gz GCYFJFZDWYXOQY-QWHCGFSZSA-N 2 2 338.477 1.394 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161885 448979338 /nfs/dbraw/zinc/97/93/38/448979338.db2.gz GCYFJFZDWYXOQY-QWHCGFSZSA-N 2 2 338.477 1.394 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NC(N)=O)C2)s1 ZINC000589161885 448979344 /nfs/dbraw/zinc/97/93/44/448979344.db2.gz GCYFJFZDWYXOQY-QWHCGFSZSA-N 2 2 338.477 1.394 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+](C4CCOCC4)CC3)ccn12 ZINC000582190516 449034650 /nfs/dbraw/zinc/03/46/50/449034650.db2.gz WLYJYJYKSVBWQQ-UHFFFAOYSA-N 2 2 328.416 1.580 20 0 EDADLP C[C@H]1CCc2onc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000521528972 448992681 /nfs/dbraw/zinc/99/26/81/448992681.db2.gz VGYVHEDYZLHZNF-AWEZNQCLSA-N 2 2 348.491 1.897 20 0 EDADLP C[C@H]1CCc2onc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000521528972 448992689 /nfs/dbraw/zinc/99/26/89/448992689.db2.gz VGYVHEDYZLHZNF-AWEZNQCLSA-N 2 2 348.491 1.897 20 0 EDADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+][C@H]3CCc4nnnn4CC3)C2)cc1 ZINC000521992189 449036870 /nfs/dbraw/zinc/03/68/70/449036870.db2.gz VQYSLUZPPYMCQD-DLBZAZTESA-N 2 2 326.448 1.632 20 0 EDADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+][C@H]3CCc4nnnn4CC3)C2)cc1 ZINC000521992189 449036873 /nfs/dbraw/zinc/03/68/73/449036873.db2.gz VQYSLUZPPYMCQD-DLBZAZTESA-N 2 2 326.448 1.632 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000589650006 449046879 /nfs/dbraw/zinc/04/68/79/449046879.db2.gz PRTIHXAMZPLQQB-SFHVURJKSA-N 2 2 343.475 1.606 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000589650006 449046885 /nfs/dbraw/zinc/04/68/85/449046885.db2.gz PRTIHXAMZPLQQB-SFHVURJKSA-N 2 2 343.475 1.606 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1cccs1 ZINC000522233173 449065857 /nfs/dbraw/zinc/06/58/57/449065857.db2.gz GUUXCRGSXJYDCA-ZDUSSCGKSA-N 2 2 342.428 1.757 20 0 EDADLP Cc1c(Cl)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nn1C ZINC000530249299 449093482 /nfs/dbraw/zinc/09/34/82/449093482.db2.gz UVHKKJMRIHQZOU-CQSZACIVSA-N 2 2 326.872 1.972 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1([NH+]2CCOCC2)CCCC1 ZINC000548748411 449094355 /nfs/dbraw/zinc/09/43/55/449094355.db2.gz ZCBIGEOYIQNRMK-HUUCEWRRSA-N 2 2 346.475 1.979 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000604175759 449185230 /nfs/dbraw/zinc/18/52/30/449185230.db2.gz AFFAOUOJXHCCIA-SZMVWBNQSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000604175759 449185234 /nfs/dbraw/zinc/18/52/34/449185234.db2.gz AFFAOUOJXHCCIA-SZMVWBNQSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000604175759 449185239 /nfs/dbraw/zinc/18/52/39/449185239.db2.gz AFFAOUOJXHCCIA-SZMVWBNQSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000604175759 449185244 /nfs/dbraw/zinc/18/52/44/449185244.db2.gz AFFAOUOJXHCCIA-SZMVWBNQSA-N 3 2 349.523 1.081 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000595929632 449259842 /nfs/dbraw/zinc/25/98/42/449259842.db2.gz NSCGDTKINSZGSO-PKOBYXMFSA-N 2 2 342.487 1.459 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000611407240 449282343 /nfs/dbraw/zinc/28/23/43/449282343.db2.gz MMQLFIBQZCUOHE-HNNXBMFYSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)CC[N@H+]1CCN(Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000611407240 449282350 /nfs/dbraw/zinc/28/23/50/449282350.db2.gz MMQLFIBQZCUOHE-HNNXBMFYSA-N 2 2 330.432 1.712 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC000602097924 449342726 /nfs/dbraw/zinc/34/27/26/449342726.db2.gz QMJIGXMVXNFUAG-INIZCTEOSA-N 2 2 333.480 1.245 20 0 EDADLP Cc1cc2c[nH]nc2c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602204986 449431837 /nfs/dbraw/zinc/43/18/37/449431837.db2.gz MMPFYWJWCVAJDE-HNNXBMFYSA-N 2 2 341.459 1.770 20 0 EDADLP Cc1cc2c[nH]nc2c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602204986 449431846 /nfs/dbraw/zinc/43/18/46/449431846.db2.gz MMPFYWJWCVAJDE-HNNXBMFYSA-N 2 2 341.459 1.770 20 0 EDADLP Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602203715 449431997 /nfs/dbraw/zinc/43/19/97/449431997.db2.gz GVZQOXLSQMRBSJ-BBRMVZONSA-N 2 2 347.507 1.425 20 0 EDADLP Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602203715 449432001 /nfs/dbraw/zinc/43/20/01/449432001.db2.gz GVZQOXLSQMRBSJ-BBRMVZONSA-N 2 2 347.507 1.425 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)O ZINC000606662562 449501564 /nfs/dbraw/zinc/50/15/64/449501564.db2.gz ZNPOAOCXTUBTHT-CYBMUJFWSA-N 2 2 326.485 1.004 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1CC[NH+](C)CC1 ZINC000606700262 449510042 /nfs/dbraw/zinc/51/00/42/449510042.db2.gz GCHAFUSDDAOHRJ-MRXNPFEDSA-N 2 2 345.491 1.639 20 0 EDADLP O=C(NCC12CCC[NH+]1CCC2)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000614225303 449514648 /nfs/dbraw/zinc/51/46/48/449514648.db2.gz LREMVRMLMGFTPW-UHFFFAOYSA-N 2 2 344.459 1.272 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NCC[NH+]1CCSCC1 ZINC000602417708 449573122 /nfs/dbraw/zinc/57/31/22/449573122.db2.gz RQIAXQOELHVCTH-UHFFFAOYSA-N 2 2 334.489 1.350 20 0 EDADLP OCCSCc1cc[nH+]c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594498217 449557188 /nfs/dbraw/zinc/55/71/88/449557188.db2.gz OSYURTHIVCXKNY-MRXNPFEDSA-N 2 2 337.489 1.972 20 0 EDADLP O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000612335486 449649875 /nfs/dbraw/zinc/64/98/75/449649875.db2.gz YANQCUUDRNCPKM-JKSUJKDBSA-N 2 2 346.475 1.618 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000612335486 449649882 /nfs/dbraw/zinc/64/98/82/449649882.db2.gz YANQCUUDRNCPKM-JKSUJKDBSA-N 2 2 346.475 1.618 20 0 EDADLP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2)c1ccccc1 ZINC000614503908 449652073 /nfs/dbraw/zinc/65/20/73/449652073.db2.gz SUGNFMSTQARWHP-ROUUACIJSA-N 2 2 330.476 1.186 20 0 EDADLP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2)c1ccccc1 ZINC000614503908 449652078 /nfs/dbraw/zinc/65/20/78/449652078.db2.gz SUGNFMSTQARWHP-ROUUACIJSA-N 2 2 330.476 1.186 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(Cl)ccc3OCC3CC3)CCN2C1=O ZINC000594739320 449659946 /nfs/dbraw/zinc/65/99/46/449659946.db2.gz VCIHGBWAKRKIDG-JKSUJKDBSA-N 2 2 349.862 1.873 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)CCN2C1=O ZINC000594739320 449659951 /nfs/dbraw/zinc/65/99/51/449659951.db2.gz VCIHGBWAKRKIDG-JKSUJKDBSA-N 2 2 349.862 1.873 20 0 EDADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000614491307 449642945 /nfs/dbraw/zinc/64/29/45/449642945.db2.gz RZALOJLMAUNNFM-LSDHHAIUSA-N 2 2 332.448 1.085 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000614491307 449642949 /nfs/dbraw/zinc/64/29/49/449642949.db2.gz RZALOJLMAUNNFM-LSDHHAIUSA-N 2 2 332.448 1.085 20 0 EDADLP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]c1C ZINC000602655177 449732766 /nfs/dbraw/zinc/73/27/66/449732766.db2.gz FFOZJTDOVDHKTH-QGZVFWFLSA-N 2 2 348.491 1.710 20 0 EDADLP COC(=O)c1cc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]c1C ZINC000602655177 449732769 /nfs/dbraw/zinc/73/27/69/449732769.db2.gz FFOZJTDOVDHKTH-QGZVFWFLSA-N 2 2 348.491 1.710 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000599182664 449783684 /nfs/dbraw/zinc/78/36/84/449783684.db2.gz ZEVQIGAMPLAGHP-CYBMUJFWSA-N 2 2 335.452 1.315 20 0 EDADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000594925937 449810438 /nfs/dbraw/zinc/81/04/38/449810438.db2.gz QHAPKHLKNMWBBW-JCGIZDLHSA-N 2 2 332.444 1.806 20 0 EDADLP CCN(C#N)CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000602792853 449812937 /nfs/dbraw/zinc/81/29/37/449812937.db2.gz DYVCYASQJRIRCI-UHFFFAOYSA-N 2 2 345.491 1.552 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2cccnc2)CCCC1 ZINC000617764110 449825249 /nfs/dbraw/zinc/82/52/49/449825249.db2.gz JCMWIGITUAOUDA-UHFFFAOYSA-N 2 2 332.492 1.893 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2cccnc2)CCCC1 ZINC000617764110 449825256 /nfs/dbraw/zinc/82/52/56/449825256.db2.gz JCMWIGITUAOUDA-UHFFFAOYSA-N 2 2 332.492 1.893 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-n2cccc2)ccn1 ZINC000617763909 449825268 /nfs/dbraw/zinc/82/52/68/449825268.db2.gz BBEJTYCTAJBDQY-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-n2cccc2)ccn1 ZINC000617763909 449825270 /nfs/dbraw/zinc/82/52/70/449825270.db2.gz BBEJTYCTAJBDQY-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)Cc1ccccc1Cl ZINC000617765030 449826836 /nfs/dbraw/zinc/82/68/36/449826836.db2.gz QUBXLJPHGUCRIC-MRXNPFEDSA-N 2 2 341.883 1.243 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)Cc1ccccc1Cl ZINC000617765030 449826842 /nfs/dbraw/zinc/82/68/42/449826842.db2.gz QUBXLJPHGUCRIC-MRXNPFEDSA-N 2 2 341.883 1.243 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(-c2cccnc2)s1 ZINC000617765464 449827078 /nfs/dbraw/zinc/82/70/78/449827078.db2.gz BQCPPCMCIHTRIS-UHFFFAOYSA-N 2 2 347.488 1.818 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(-c2cccnc2)s1 ZINC000617765464 449827081 /nfs/dbraw/zinc/82/70/81/449827081.db2.gz BQCPPCMCIHTRIS-UHFFFAOYSA-N 2 2 347.488 1.818 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000617766200 449828694 /nfs/dbraw/zinc/82/86/94/449828694.db2.gz BQLMEHPNIINOAO-UHFFFAOYSA-N 2 2 334.439 1.849 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000617766200 449828699 /nfs/dbraw/zinc/82/86/99/449828699.db2.gz BQLMEHPNIINOAO-UHFFFAOYSA-N 2 2 334.439 1.849 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1c2ccccc2NC1=O ZINC000617767164 449831413 /nfs/dbraw/zinc/83/14/13/449831413.db2.gz JFMYWBHCQGHBIK-OAHLLOKOSA-N 2 2 332.448 1.112 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1c2ccccc2NC1=O ZINC000617767164 449831417 /nfs/dbraw/zinc/83/14/17/449831417.db2.gz JFMYWBHCQGHBIK-OAHLLOKOSA-N 2 2 332.448 1.112 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000617768251 449832747 /nfs/dbraw/zinc/83/27/47/449832747.db2.gz VVXNICDGYKLFBQ-UHFFFAOYSA-N 2 2 347.438 1.829 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000617768251 449832753 /nfs/dbraw/zinc/83/27/53/449832753.db2.gz VVXNICDGYKLFBQ-UHFFFAOYSA-N 2 2 347.438 1.829 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000617768137 449833868 /nfs/dbraw/zinc/83/38/68/449833868.db2.gz QLIUMVMERPINLX-MRXNPFEDSA-N 2 2 346.475 1.039 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000617768137 449833872 /nfs/dbraw/zinc/83/38/72/449833872.db2.gz QLIUMVMERPINLX-MRXNPFEDSA-N 2 2 346.475 1.039 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(c1)OCCCO2 ZINC000617768888 449834051 /nfs/dbraw/zinc/83/40/51/449834051.db2.gz YEBMMZGEUMKNRS-UHFFFAOYSA-N 2 2 335.448 1.461 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)OCCCO2 ZINC000617768888 449834056 /nfs/dbraw/zinc/83/40/56/449834056.db2.gz YEBMMZGEUMKNRS-UHFFFAOYSA-N 2 2 335.448 1.461 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC[N@@H+]1C ZINC000608488910 449856363 /nfs/dbraw/zinc/85/63/63/449856363.db2.gz DLRKUBNTCBXUHP-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC[N@H+]1C ZINC000608488910 449856369 /nfs/dbraw/zinc/85/63/69/449856369.db2.gz DLRKUBNTCBXUHP-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000597220782 449880207 /nfs/dbraw/zinc/88/02/07/449880207.db2.gz MRJWTUWFUQCZIH-SFHVURJKSA-N 2 2 344.415 1.730 20 0 EDADLP COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000597220782 449880213 /nfs/dbraw/zinc/88/02/13/449880213.db2.gz MRJWTUWFUQCZIH-SFHVURJKSA-N 2 2 344.415 1.730 20 0 EDADLP COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878526 449887171 /nfs/dbraw/zinc/88/71/71/449887171.db2.gz YBFHIWGMYALDAI-SFHVURJKSA-N 2 2 336.432 1.241 20 0 EDADLP COC(=O)c1ccccc1OCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878526 449887176 /nfs/dbraw/zinc/88/71/76/449887176.db2.gz YBFHIWGMYALDAI-SFHVURJKSA-N 2 2 336.432 1.241 20 0 EDADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000612963938 449958973 /nfs/dbraw/zinc/95/89/73/449958973.db2.gz MZUSDQYTTDCPQC-OAHLLOKOSA-N 2 2 334.489 1.717 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCCO1 ZINC000613005121 449980576 /nfs/dbraw/zinc/98/05/76/449980576.db2.gz KMHPHJKMFWHTPP-QRXAFDDPSA-N 2 2 349.519 1.961 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCCO1 ZINC000613005121 449980582 /nfs/dbraw/zinc/98/05/82/449980582.db2.gz KMHPHJKMFWHTPP-QRXAFDDPSA-N 2 2 349.519 1.961 20 0 EDADLP COC(=O)CCN1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1=O ZINC000595298172 450011715 /nfs/dbraw/zinc/01/17/15/450011715.db2.gz PSKULFDCSAZSGE-INIZCTEOSA-N 2 2 337.464 1.101 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)C1 ZINC000609672757 450082335 /nfs/dbraw/zinc/08/23/35/450082335.db2.gz RTHMWZLKZWGAFJ-HXOBKFHXSA-N 2 2 335.517 1.506 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)C1 ZINC000609672757 450082343 /nfs/dbraw/zinc/08/23/43/450082343.db2.gz RTHMWZLKZWGAFJ-HXOBKFHXSA-N 2 2 335.517 1.506 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599584757 450086346 /nfs/dbraw/zinc/08/63/46/450086346.db2.gz WRLPIMDRDUMZIW-FVQBIDKESA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599584757 450086349 /nfs/dbraw/zinc/08/63/49/450086349.db2.gz WRLPIMDRDUMZIW-FVQBIDKESA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599584757 450086352 /nfs/dbraw/zinc/08/63/52/450086352.db2.gz WRLPIMDRDUMZIW-FVQBIDKESA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599584757 450086356 /nfs/dbraw/zinc/08/63/56/450086356.db2.gz WRLPIMDRDUMZIW-FVQBIDKESA-N 2 2 326.481 1.741 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)CN3CCOCC3)c2cc1C ZINC000613361485 450148866 /nfs/dbraw/zinc/14/88/66/450148866.db2.gz MXWLUXMMDJYIST-SJORKVTESA-N 2 2 346.475 1.324 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000595459052 450156934 /nfs/dbraw/zinc/15/69/34/450156934.db2.gz MCSIXDMSNYMRMY-LSDHHAIUSA-N 2 2 339.480 1.345 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC000595459052 450156937 /nfs/dbraw/zinc/15/69/37/450156937.db2.gz MCSIXDMSNYMRMY-LSDHHAIUSA-N 2 2 339.480 1.345 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1C ZINC000603433345 450300065 /nfs/dbraw/zinc/30/00/65/450300065.db2.gz MJEUAUDNBZORBX-MNOVXSKESA-N 2 2 339.461 1.887 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000603493964 450313118 /nfs/dbraw/zinc/31/31/18/450313118.db2.gz NBKJFCMSJDOVPN-HOTGVXAUSA-N 2 2 333.480 1.652 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603592899 450330534 /nfs/dbraw/zinc/33/05/34/450330534.db2.gz GWJCRFVGJRXPCY-HZPDHXFCSA-N 2 2 348.495 1.357 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603592899 450330540 /nfs/dbraw/zinc/33/05/40/450330540.db2.gz GWJCRFVGJRXPCY-HZPDHXFCSA-N 2 2 348.495 1.357 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccccc1 ZINC000623368961 450507020 /nfs/dbraw/zinc/50/70/20/450507020.db2.gz HGKCBPGGAYYLPD-QZTJIDSGSA-N 2 2 348.491 1.699 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)c1ccccc1 ZINC000623368961 450507023 /nfs/dbraw/zinc/50/70/23/450507023.db2.gz HGKCBPGGAYYLPD-QZTJIDSGSA-N 2 2 348.491 1.699 20 0 EDADLP O=C(C[NH+](C1CC1)C1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000625837743 450518693 /nfs/dbraw/zinc/51/86/93/450518693.db2.gz SJZGMWLAIARTGO-UHFFFAOYSA-N 2 2 343.471 1.762 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623466843 450526193 /nfs/dbraw/zinc/52/61/93/450526193.db2.gz OGIQUSAPCXIFDD-BBWFWOEESA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623466843 450526196 /nfs/dbraw/zinc/52/61/96/450526196.db2.gz OGIQUSAPCXIFDD-BBWFWOEESA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623466843 450526197 /nfs/dbraw/zinc/52/61/97/450526197.db2.gz OGIQUSAPCXIFDD-BBWFWOEESA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623466843 450526200 /nfs/dbraw/zinc/52/62/00/450526200.db2.gz OGIQUSAPCXIFDD-BBWFWOEESA-N 2 2 340.512 1.374 20 0 EDADLP CN(C)[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1c[nH+]cn1C ZINC000620935568 450564009 /nfs/dbraw/zinc/56/40/09/450564009.db2.gz QPTSUJUHUXSORP-QGZVFWFLSA-N 2 2 333.480 1.261 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542331 450729119 /nfs/dbraw/zinc/72/91/19/450729119.db2.gz DQIBDFNYZHRQNF-MDZLAQPJSA-N 2 2 328.254 1.729 20 0 EDADLP C[N@H+](CCOCC[NH3+])CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000629578229 450746275 /nfs/dbraw/zinc/74/62/75/450746275.db2.gz PBRHFRFBIAWTBO-UHFFFAOYSA-N 2 2 342.505 1.665 20 0 EDADLP C[N@@H+](CCOCC[NH3+])CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000629578229 450746279 /nfs/dbraw/zinc/74/62/79/450746279.db2.gz PBRHFRFBIAWTBO-UHFFFAOYSA-N 2 2 342.505 1.665 20 0 EDADLP O[C@H](C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000629581001 450746979 /nfs/dbraw/zinc/74/69/79/450746979.db2.gz JPQKTLWVCXQBBL-NVXWUHKLSA-N 2 2 335.448 1.043 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629616769 450763234 /nfs/dbraw/zinc/76/32/34/450763234.db2.gz ASSVUUCSLGVSLR-MSOLQXFVSA-N 2 2 331.460 1.222 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629616769 450763243 /nfs/dbraw/zinc/76/32/43/450763243.db2.gz ASSVUUCSLGVSLR-MSOLQXFVSA-N 2 2 331.460 1.222 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000624261093 450768710 /nfs/dbraw/zinc/76/87/10/450768710.db2.gz ICAPVODWPUXOLO-HIFRSBDPSA-N 2 2 333.432 1.716 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000624261093 450768715 /nfs/dbraw/zinc/76/87/15/450768715.db2.gz ICAPVODWPUXOLO-HIFRSBDPSA-N 2 2 333.432 1.716 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000624261095 450769122 /nfs/dbraw/zinc/76/91/22/450769122.db2.gz ICAPVODWPUXOLO-ZFWWWQNUSA-N 2 2 333.432 1.716 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000624261095 450769127 /nfs/dbraw/zinc/76/91/27/450769127.db2.gz ICAPVODWPUXOLO-ZFWWWQNUSA-N 2 2 333.432 1.716 20 0 EDADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccccc1C[NH+]1CCOCC1)C2 ZINC000621680555 450830641 /nfs/dbraw/zinc/83/06/41/450830641.db2.gz DIUXFMXRYSTCIM-LPHOPBHVSA-N 2 2 329.444 1.472 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N[C@@H]1CCOc2ccccc21 ZINC000631885592 450845440 /nfs/dbraw/zinc/84/54/40/450845440.db2.gz CHIJCWPERZJTNC-OIISXLGYSA-N 2 2 329.444 1.700 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N[C@@H]1CCOc2ccccc21 ZINC000631885592 450845445 /nfs/dbraw/zinc/84/54/45/450845445.db2.gz CHIJCWPERZJTNC-OIISXLGYSA-N 2 2 329.444 1.700 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886172 450846870 /nfs/dbraw/zinc/84/68/70/450846870.db2.gz HLLJNCQUMBBBPF-RDJZCZTQSA-N 2 2 344.459 1.401 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631886172 450846878 /nfs/dbraw/zinc/84/68/78/450846878.db2.gz HLLJNCQUMBBBPF-RDJZCZTQSA-N 2 2 344.459 1.401 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ncc(C)o3)C2)CC[N@@H+]1C ZINC000631945025 450902578 /nfs/dbraw/zinc/90/25/78/450902578.db2.gz NFUPLGAAZSGCAM-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ncc(C)o3)C2)CC[N@H+]1C ZINC000631945025 450902583 /nfs/dbraw/zinc/90/25/83/450902583.db2.gz NFUPLGAAZSGCAM-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ncc(C)o3)C2)CC[NH+]1C ZINC000631945025 450902585 /nfs/dbraw/zinc/90/25/85/450902585.db2.gz NFUPLGAAZSGCAM-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncc(C)o3)C2)CC[NH+]1C ZINC000631945025 450902591 /nfs/dbraw/zinc/90/25/91/450902591.db2.gz NFUPLGAAZSGCAM-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000635401660 450909270 /nfs/dbraw/zinc/90/92/70/450909270.db2.gz XWPKETKBXIVTPT-UHFFFAOYSA-N 2 2 345.403 1.077 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000635421826 450928273 /nfs/dbraw/zinc/92/82/73/450928273.db2.gz HPXMNFICWIAXOL-LZWOXQAQSA-N 2 2 334.464 1.615 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000635421826 450928278 /nfs/dbraw/zinc/92/82/78/450928278.db2.gz HPXMNFICWIAXOL-LZWOXQAQSA-N 2 2 334.464 1.615 20 0 EDADLP Cc1cn2cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc2s1 ZINC000633617386 450945893 /nfs/dbraw/zinc/94/58/93/450945893.db2.gz KYMUATPPIHMEHI-UHFFFAOYSA-N 2 2 337.493 1.246 20 0 EDADLP Cc1cn2cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)nc2s1 ZINC000633617386 450945899 /nfs/dbraw/zinc/94/58/99/450945899.db2.gz KYMUATPPIHMEHI-UHFFFAOYSA-N 2 2 337.493 1.246 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1ccc(C(F)(F)F)n1 ZINC000633618711 450947315 /nfs/dbraw/zinc/94/73/15/450947315.db2.gz QPCVAHISNWQZSB-LBPRGKRZSA-N 2 2 349.401 1.463 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1ccc(C(F)(F)F)n1 ZINC000633618711 450947323 /nfs/dbraw/zinc/94/73/23/450947323.db2.gz QPCVAHISNWQZSB-LBPRGKRZSA-N 2 2 349.401 1.463 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCO1 ZINC000635464660 450964432 /nfs/dbraw/zinc/96/44/32/450964432.db2.gz HWFLCWMONJLTNH-RYUDHWBXSA-N 2 2 334.342 1.214 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCO1 ZINC000635464660 450964438 /nfs/dbraw/zinc/96/44/38/450964438.db2.gz HWFLCWMONJLTNH-RYUDHWBXSA-N 2 2 334.342 1.214 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC[C@H](C)[NH+]2CCCC2)cc1 ZINC000635502758 450996177 /nfs/dbraw/zinc/99/61/77/450996177.db2.gz IYLXISGQFGUYSA-MAUKXSAKSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1 ZINC000635502759 450996745 /nfs/dbraw/zinc/99/67/45/450996745.db2.gz IYLXISGQFGUYSA-QAPCUYQASA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1 ZINC000635502759 450996747 /nfs/dbraw/zinc/99/67/47/450996747.db2.gz IYLXISGQFGUYSA-QAPCUYQASA-N 2 2 331.460 1.870 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000626918278 451003311 /nfs/dbraw/zinc/00/33/11/451003311.db2.gz WXEQTARMRLOHGE-VXGBXAGGSA-N 2 2 333.358 1.442 20 0 EDADLP Cn1cc[nH+]c1CN1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635509417 451006018 /nfs/dbraw/zinc/00/60/18/451006018.db2.gz NTYHOTUUJBDFRK-UHFFFAOYSA-N 2 2 345.491 1.330 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626925158 451008906 /nfs/dbraw/zinc/00/89/06/451008906.db2.gz IWKPVLHXFZSCLW-KDURUIRLSA-N 2 2 341.459 1.986 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCOCCC[NH3+])c1cccc(F)c1 ZINC000626927474 451010552 /nfs/dbraw/zinc/01/05/52/451010552.db2.gz PAMXYMFCTHZNLY-HNNXBMFYSA-N 2 2 349.410 1.313 20 0 EDADLP C[C@@H]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000632100092 451036340 /nfs/dbraw/zinc/03/63/40/451036340.db2.gz UQTGXMNXLYIQBK-ZIAGYGMSSA-N 2 2 326.466 1.190 20 0 EDADLP C[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000632099874 451036439 /nfs/dbraw/zinc/03/64/39/451036439.db2.gz QAIOOTPTZOSCBV-HOTGVXAUSA-N 2 2 340.493 1.582 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC[C@H](C)[NH+]2CCCC2)cc1 ZINC000635502758 450996172 /nfs/dbraw/zinc/99/61/72/450996172.db2.gz IYLXISGQFGUYSA-MAUKXSAKSA-N 2 2 331.460 1.870 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635555792 451052844 /nfs/dbraw/zinc/05/28/44/451052844.db2.gz JMJRYDLQIOAISM-UHFFFAOYSA-N 2 2 328.416 1.992 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3coc(C(F)(F)F)n3)C2)CC1 ZINC000635552397 451050333 /nfs/dbraw/zinc/05/03/33/451050333.db2.gz UTXJEARAEUEKEG-SNVBAGLBSA-N 2 2 346.353 1.592 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3coc(C(F)(F)F)n3)C2)CC1 ZINC000635552397 451050334 /nfs/dbraw/zinc/05/03/34/451050334.db2.gz UTXJEARAEUEKEG-SNVBAGLBSA-N 2 2 346.353 1.592 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635675517 451158775 /nfs/dbraw/zinc/15/87/75/451158775.db2.gz IPKUTIXMTJOJSN-LRDDRELGSA-N 2 2 326.400 1.790 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635675517 451158782 /nfs/dbraw/zinc/15/87/82/451158782.db2.gz IPKUTIXMTJOJSN-LRDDRELGSA-N 2 2 326.400 1.790 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000628168791 451166860 /nfs/dbraw/zinc/16/68/60/451166860.db2.gz HXRWHCJKRWZDDM-IAGOWNOFSA-N 2 2 330.476 1.992 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000628168791 451166865 /nfs/dbraw/zinc/16/68/65/451166865.db2.gz HXRWHCJKRWZDDM-IAGOWNOFSA-N 2 2 330.476 1.992 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622566724 451171716 /nfs/dbraw/zinc/17/17/16/451171716.db2.gz WGAQUWYXIBTKFK-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622566724 451171719 /nfs/dbraw/zinc/17/17/19/451171719.db2.gz WGAQUWYXIBTKFK-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)cc2[nH+]1 ZINC000635693600 451177099 /nfs/dbraw/zinc/17/70/99/451177099.db2.gz JEKXXNKJMXIMIR-QGZVFWFLSA-N 2 2 342.443 1.970 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C1=O ZINC000628236578 451189617 /nfs/dbraw/zinc/18/96/17/451189617.db2.gz IBMRCOMYFLERSK-AWEZNQCLSA-N 2 2 329.404 1.566 20 0 EDADLP CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193112 451227708 /nfs/dbraw/zinc/22/77/08/451227708.db2.gz BWGQWINZRNBYKI-INIZCTEOSA-N 2 2 347.463 1.323 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H](O)Cc3ccccc3)c2)CC1 ZINC000634193230 451228428 /nfs/dbraw/zinc/22/84/28/451228428.db2.gz HHRQDUASDBFMLZ-KRWDZBQOSA-N 2 2 340.427 1.376 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCc4c[nH]nc4C3)c2)CC1 ZINC000634196246 451233733 /nfs/dbraw/zinc/23/37/33/451233733.db2.gz QWZLZIFYHYBOFK-ZDUSSCGKSA-N 2 2 340.431 1.300 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C)C1(F)F ZINC000628390225 451241091 /nfs/dbraw/zinc/24/10/91/451241091.db2.gz FLNRMRKSERWQLU-OKILXGFUSA-N 2 2 339.434 1.952 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C)C1(F)F ZINC000628390225 451241096 /nfs/dbraw/zinc/24/10/96/451241096.db2.gz FLNRMRKSERWQLU-OKILXGFUSA-N 2 2 339.434 1.952 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000638082946 451245887 /nfs/dbraw/zinc/24/58/87/451245887.db2.gz YZIVZZBYKBULLH-SOUVJXGZSA-N 2 2 335.448 1.761 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000638090660 451255607 /nfs/dbraw/zinc/25/56/07/451255607.db2.gz JLBSQACPWPQBJK-INIZCTEOSA-N 2 2 328.416 1.694 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC000635813369 451261770 /nfs/dbraw/zinc/26/17/70/451261770.db2.gz ZVZBHSMHMAGFDD-SFHVURJKSA-N 2 2 346.519 1.303 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635813369 451261776 /nfs/dbraw/zinc/26/17/76/451261776.db2.gz ZVZBHSMHMAGFDD-SFHVURJKSA-N 2 2 346.519 1.303 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC000635813369 451261783 /nfs/dbraw/zinc/26/17/83/451261783.db2.gz ZVZBHSMHMAGFDD-SFHVURJKSA-N 2 2 346.519 1.303 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635813369 451261790 /nfs/dbraw/zinc/26/17/90/451261790.db2.gz ZVZBHSMHMAGFDD-SFHVURJKSA-N 2 2 346.519 1.303 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000638103763 451270651 /nfs/dbraw/zinc/27/06/51/451270651.db2.gz BZWOULXHZWOKLT-VQIMIIECSA-N 2 2 346.475 1.845 20 0 EDADLP C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C[NH2+]CCO1 ZINC000638104566 451271598 /nfs/dbraw/zinc/27/15/98/451271598.db2.gz JPPGYHGXDMZTJI-SFHVURJKSA-N 2 2 332.448 1.457 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000638111303 451279969 /nfs/dbraw/zinc/27/99/69/451279969.db2.gz CVSLADSWPNNDJI-QGZVFWFLSA-N 2 2 338.411 1.838 20 0 EDADLP Cc1cccc2c1C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)N2 ZINC000638128753 451300889 /nfs/dbraw/zinc/30/08/89/451300889.db2.gz OPBJEELQAORWRZ-SFHVURJKSA-N 2 2 330.476 1.474 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000636587475 451327443 /nfs/dbraw/zinc/32/74/43/451327443.db2.gz DRQXMMIWAZZSJN-RHSMWYFYSA-N 2 2 339.443 1.554 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N@H+]1CCc2ccccc2C1 ZINC000636587475 451327446 /nfs/dbraw/zinc/32/74/46/451327446.db2.gz DRQXMMIWAZZSJN-RHSMWYFYSA-N 2 2 339.443 1.554 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])n1cc[nH+]c1 ZINC000638211292 451356695 /nfs/dbraw/zinc/35/66/95/451356695.db2.gz UDJJKARZGCOTSX-HOTGVXAUSA-N 2 2 349.479 1.316 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638278174 451397179 /nfs/dbraw/zinc/39/71/79/451397179.db2.gz GJTZHHQONOKCAZ-AWEZNQCLSA-N 2 2 329.391 1.690 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638278174 451397186 /nfs/dbraw/zinc/39/71/86/451397186.db2.gz GJTZHHQONOKCAZ-AWEZNQCLSA-N 2 2 329.391 1.690 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C)n1cc[nH+]c1 ZINC000635960709 451399418 /nfs/dbraw/zinc/39/94/18/451399418.db2.gz WIBSRSWRVPVKMD-BRWVUGGUSA-N 2 2 334.464 1.792 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C)n1cc[nH+]c1 ZINC000635960709 451399425 /nfs/dbraw/zinc/39/94/25/451399425.db2.gz WIBSRSWRVPVKMD-BRWVUGGUSA-N 2 2 334.464 1.792 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)n1cc[nH+]c1 ZINC000635976636 451412088 /nfs/dbraw/zinc/41/20/88/451412088.db2.gz XXFTZRIIFZVEFU-IRXDYDNUSA-N 2 2 334.464 1.794 20 0 EDADLP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000638301019 451416538 /nfs/dbraw/zinc/41/65/38/451416538.db2.gz JUBUVUXCQABWRN-CQSZACIVSA-N 2 2 332.448 1.287 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccnn1CC1CCC1 ZINC000640656791 451493977 /nfs/dbraw/zinc/49/39/77/451493977.db2.gz OIIPQEONVFANIB-UHFFFAOYSA-N 2 2 336.484 1.688 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccnn1CC1CCC1 ZINC000640656791 451493979 /nfs/dbraw/zinc/49/39/79/451493979.db2.gz OIIPQEONVFANIB-UHFFFAOYSA-N 2 2 336.484 1.688 20 0 EDADLP O=C1[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]2CCCCN12 ZINC000634716483 451497302 /nfs/dbraw/zinc/49/73/02/451497302.db2.gz VJWFGWKBJNDSJR-GGPKGHCWSA-N 2 2 343.471 1.366 20 0 EDADLP O=C1[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]2CCCCN12 ZINC000634716483 451497307 /nfs/dbraw/zinc/49/73/07/451497307.db2.gz VJWFGWKBJNDSJR-GGPKGHCWSA-N 2 2 343.471 1.366 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C[NH+](C)C1CC1 ZINC000634724554 451505681 /nfs/dbraw/zinc/50/56/81/451505681.db2.gz SHVIGWZEOSXXOP-YVWKXTFCSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C[NH+](C)C1CC1 ZINC000634724554 451505684 /nfs/dbraw/zinc/50/56/84/451505684.db2.gz SHVIGWZEOSXXOP-YVWKXTFCSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000634724554 451505689 /nfs/dbraw/zinc/50/56/89/451505689.db2.gz SHVIGWZEOSXXOP-YVWKXTFCSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000634724554 451505693 /nfs/dbraw/zinc/50/56/93/451505693.db2.gz SHVIGWZEOSXXOP-YVWKXTFCSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000632679442 451516929 /nfs/dbraw/zinc/51/69/29/451516929.db2.gz ICPVWRYEPMGZSL-CQSZACIVSA-N 2 2 342.443 1.994 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC[N@H+]1CC(C)(C)O ZINC000632679442 451516935 /nfs/dbraw/zinc/51/69/35/451516935.db2.gz ICPVWRYEPMGZSL-CQSZACIVSA-N 2 2 342.443 1.994 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC1(F)F ZINC000638453581 451523771 /nfs/dbraw/zinc/52/37/71/451523771.db2.gz FXZGOSOQDIBFIG-KGLIPLIRSA-N 2 2 338.402 1.754 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000636852220 451555333 /nfs/dbraw/zinc/55/53/33/451555333.db2.gz KBKMRGRZWFYPAJ-KRWDZBQOSA-N 2 2 337.439 1.437 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000636852220 451555340 /nfs/dbraw/zinc/55/53/40/451555340.db2.gz KBKMRGRZWFYPAJ-KRWDZBQOSA-N 2 2 337.439 1.437 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)[C@@H]1CC[NH3+] ZINC000634811564 451567438 /nfs/dbraw/zinc/56/74/38/451567438.db2.gz JLPNBRCTMBPBIT-BZUAXINKSA-N 2 2 333.480 1.639 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)[C@@H]1CC[NH3+] ZINC000634811564 451567442 /nfs/dbraw/zinc/56/74/42/451567442.db2.gz JLPNBRCTMBPBIT-BZUAXINKSA-N 2 2 333.480 1.639 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000631109052 451588099 /nfs/dbraw/zinc/58/80/99/451588099.db2.gz YFZCOASTHAVEEJ-UHFFFAOYSA-N 2 2 343.479 2.053 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000638581382 451588253 /nfs/dbraw/zinc/58/82/53/451588253.db2.gz BVYKAMUZHGCBTK-MRXNPFEDSA-N 2 2 349.450 1.756 20 0 EDADLP Cc1cc(NCCNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000638583943 451589090 /nfs/dbraw/zinc/58/90/90/451589090.db2.gz OTSCDFSXRHRXSK-GOEBONIOSA-N 2 2 347.507 2.462 20 0 EDADLP C[C@@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000632843736 451609535 /nfs/dbraw/zinc/60/95/35/451609535.db2.gz CMXWOGRVAVBRDE-AWEZNQCLSA-N 2 2 327.432 1.998 20 0 EDADLP C[C@@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000632843736 451609538 /nfs/dbraw/zinc/60/95/38/451609538.db2.gz CMXWOGRVAVBRDE-AWEZNQCLSA-N 2 2 327.432 1.998 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](Nc3nc(C)[nH+]c(N)n3)C2)cc(OC)c1 ZINC000631159848 451617242 /nfs/dbraw/zinc/61/72/42/451617242.db2.gz ZDKWOGGSWUICCO-CYBMUJFWSA-N 2 2 344.419 1.466 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](Nc3nc(C)[nH+]c(N)n3)C2)cc(OC)c1 ZINC000631159848 451617244 /nfs/dbraw/zinc/61/72/44/451617244.db2.gz ZDKWOGGSWUICCO-CYBMUJFWSA-N 2 2 344.419 1.466 20 0 EDADLP O=C1CC[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CCN1 ZINC000634956974 451624647 /nfs/dbraw/zinc/62/46/47/451624647.db2.gz ZIZQFIZUAZUMNV-QGZVFWFLSA-N 2 2 347.459 1.156 20 0 EDADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)[nH+]1 ZINC000636255671 451624932 /nfs/dbraw/zinc/62/49/32/451624932.db2.gz JISUBIJCKBZTQX-INIZCTEOSA-N 2 2 342.443 1.914 20 0 EDADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)[nH+]1 ZINC000636255671 451624938 /nfs/dbraw/zinc/62/49/38/451624938.db2.gz JISUBIJCKBZTQX-INIZCTEOSA-N 2 2 342.443 1.914 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000636255300 451625344 /nfs/dbraw/zinc/62/53/44/451625344.db2.gz GSCAVPNUWVGTHD-DJIMGWMZSA-N 2 2 340.427 1.913 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000636255300 451625352 /nfs/dbraw/zinc/62/53/52/451625352.db2.gz GSCAVPNUWVGTHD-DJIMGWMZSA-N 2 2 340.427 1.913 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000636255300 451625360 /nfs/dbraw/zinc/62/53/60/451625360.db2.gz GSCAVPNUWVGTHD-DJIMGWMZSA-N 2 2 340.427 1.913 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000636255300 451625367 /nfs/dbraw/zinc/62/53/67/451625367.db2.gz GSCAVPNUWVGTHD-DJIMGWMZSA-N 2 2 340.427 1.913 20 0 EDADLP c1c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000631179895 451629092 /nfs/dbraw/zinc/62/90/92/451629092.db2.gz XWPBSSIZPRKKSW-SJORKVTESA-N 2 2 333.480 1.526 20 0 EDADLP c1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nnn1C[C@@H]1CCOC1 ZINC000631179895 451629101 /nfs/dbraw/zinc/62/91/01/451629101.db2.gz XWPBSSIZPRKKSW-SJORKVTESA-N 2 2 333.480 1.526 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000638646567 451629837 /nfs/dbraw/zinc/62/98/37/451629837.db2.gz ZFGNQXWBRMWNBF-CZUORRHYSA-N 2 2 347.459 1.319 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000638646567 451629841 /nfs/dbraw/zinc/62/98/41/451629841.db2.gz ZFGNQXWBRMWNBF-CZUORRHYSA-N 2 2 347.459 1.319 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000638646562 451630015 /nfs/dbraw/zinc/63/00/15/451630015.db2.gz ZFGNQXWBRMWNBF-BBRMVZONSA-N 2 2 347.459 1.319 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000638646562 451630020 /nfs/dbraw/zinc/63/00/20/451630020.db2.gz ZFGNQXWBRMWNBF-BBRMVZONSA-N 2 2 347.459 1.319 20 0 EDADLP C[NH+](C)[C@]1(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CCSC1 ZINC000638723094 451665583 /nfs/dbraw/zinc/66/55/83/451665583.db2.gz YBFJMUKCFLJPFW-AWEZNQCLSA-N 2 2 349.566 1.264 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](CCc2ccncc2)CC1)[C@@H]1CCSC1 ZINC000636296190 451666124 /nfs/dbraw/zinc/66/61/24/451666124.db2.gz XOFFYVSCTXBTNX-QGZVFWFLSA-N 2 2 348.516 1.206 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](CCc2ccncc2)CC1)[C@@H]1CCSC1 ZINC000636296190 451666126 /nfs/dbraw/zinc/66/61/26/451666126.db2.gz XOFFYVSCTXBTNX-QGZVFWFLSA-N 2 2 348.516 1.206 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000637033005 451689781 /nfs/dbraw/zinc/68/97/81/451689781.db2.gz GYCJPQIWTPZYMV-ZOBUZTSGSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000637033005 451689783 /nfs/dbraw/zinc/68/97/83/451689783.db2.gz GYCJPQIWTPZYMV-ZOBUZTSGSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637033005 451689786 /nfs/dbraw/zinc/68/97/86/451689786.db2.gz GYCJPQIWTPZYMV-ZOBUZTSGSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000637033005 451689787 /nfs/dbraw/zinc/68/97/87/451689787.db2.gz GYCJPQIWTPZYMV-ZOBUZTSGSA-N 2 2 338.496 1.269 20 0 EDADLP Cn1cc(CCCNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cn1 ZINC000638790163 451693001 /nfs/dbraw/zinc/69/30/01/451693001.db2.gz UMRIWIQKHRZSEI-KRWDZBQOSA-N 2 2 328.464 2.000 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852621 451711095 /nfs/dbraw/zinc/71/10/95/451711095.db2.gz ZINFHSAYSZEMGC-OALUTQOASA-N 3 2 346.519 1.826 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852621 451711097 /nfs/dbraw/zinc/71/10/97/451711097.db2.gz ZINFHSAYSZEMGC-OALUTQOASA-N 3 2 346.519 1.826 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000638731070 451669618 /nfs/dbraw/zinc/66/96/18/451669618.db2.gz JRSNISDLCNLPMV-GOSISDBHSA-N 2 2 340.427 1.171 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000638731070 451669622 /nfs/dbraw/zinc/66/96/22/451669622.db2.gz JRSNISDLCNLPMV-GOSISDBHSA-N 2 2 340.427 1.171 20 0 EDADLP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000636473352 451726608 /nfs/dbraw/zinc/72/66/08/451726608.db2.gz YCOOGCALIDTMMW-QZTJIDSGSA-N 2 2 348.491 1.482 20 0 EDADLP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)[NH+](C)C)cc1 ZINC000636473352 451726611 /nfs/dbraw/zinc/72/66/11/451726611.db2.gz YCOOGCALIDTMMW-QZTJIDSGSA-N 2 2 348.491 1.482 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1coc(C(F)(F)F)n1 ZINC000638983685 451746190 /nfs/dbraw/zinc/74/61/90/451746190.db2.gz LSACZFFVVBZBSI-UHFFFAOYSA-N 2 2 341.293 1.750 20 0 EDADLP CSc1cccnc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985553 451746237 /nfs/dbraw/zinc/74/62/37/451746237.db2.gz KTWBLZAVWYBSNM-UHFFFAOYSA-N 2 2 329.429 1.860 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987339 451748080 /nfs/dbraw/zinc/74/80/80/451748080.db2.gz PTYZKGMPLKHKIA-KRWDZBQOSA-N 3 2 341.415 1.138 20 0 EDADLP CC[NH2+]Cc1ccn(Cc2cn(Cc3c[nH+]ccc3OC)nn2)n1 ZINC000641168559 451768168 /nfs/dbraw/zinc/76/81/68/451768168.db2.gz IVSUBHRWHWVXRP-UHFFFAOYSA-N 2 2 327.392 1.084 20 0 EDADLP CCN(CCOC)c1cccc(Cn2cc(C3CC[NH2+]CC3)nn2)[nH+]1 ZINC000641168896 451768266 /nfs/dbraw/zinc/76/82/66/451768266.db2.gz COHVCNSSOARSQX-UHFFFAOYSA-N 2 2 344.463 1.661 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CCCC2 ZINC000639138507 451774994 /nfs/dbraw/zinc/77/49/94/451774994.db2.gz BDCJCSQQEGHKKX-INIZCTEOSA-N 2 2 332.492 1.843 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)CCCC2 ZINC000639138507 451774997 /nfs/dbraw/zinc/77/49/97/451774997.db2.gz BDCJCSQQEGHKKX-INIZCTEOSA-N 2 2 332.492 1.843 20 0 EDADLP Cc1ncc([C@@H](C)[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(C)n1 ZINC000639169921 451784510 /nfs/dbraw/zinc/78/45/10/451784510.db2.gz PUKKIXFQVFTRFU-OAHLLOKOSA-N 2 2 345.491 1.640 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000641255874 451795471 /nfs/dbraw/zinc/79/54/71/451795471.db2.gz KMCBGNFHCYCFGJ-AWEZNQCLSA-N 2 2 338.433 1.233 20 0 EDADLP OC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639237911 451797068 /nfs/dbraw/zinc/79/70/68/451797068.db2.gz CESWDKIFBWZHRZ-HKUYNNGSSA-N 2 2 334.460 1.648 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(=O)c1ccccc1 ZINC000644515611 451834606 /nfs/dbraw/zinc/83/46/06/451834606.db2.gz FKAYSPWUBLJURP-LJQANCHMSA-N 2 2 341.455 1.499 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(=O)c1ccccc1 ZINC000644515611 451834611 /nfs/dbraw/zinc/83/46/11/451834611.db2.gz FKAYSPWUBLJURP-LJQANCHMSA-N 2 2 341.455 1.499 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442314 451858885 /nfs/dbraw/zinc/85/88/85/451858885.db2.gz DRUCNLYPGMHSHG-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442314 451858891 /nfs/dbraw/zinc/85/88/91/451858891.db2.gz DRUCNLYPGMHSHG-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637442314 451858897 /nfs/dbraw/zinc/85/88/97/451858897.db2.gz DRUCNLYPGMHSHG-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637442314 451858902 /nfs/dbraw/zinc/85/89/02/451858902.db2.gz DRUCNLYPGMHSHG-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000646831959 451870875 /nfs/dbraw/zinc/87/08/75/451870875.db2.gz NPXYNXQTFKMOSE-AWEZNQCLSA-N 2 2 340.265 1.483 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000646831959 451870877 /nfs/dbraw/zinc/87/08/77/451870877.db2.gz NPXYNXQTFKMOSE-AWEZNQCLSA-N 2 2 340.265 1.483 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)C1CC1 ZINC000644585067 451878677 /nfs/dbraw/zinc/87/86/77/451878677.db2.gz BFAWJDBYMZHKOX-RBUKOAKNSA-N 2 2 345.487 1.265 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)C1CC1 ZINC000644585067 451878683 /nfs/dbraw/zinc/87/86/83/451878683.db2.gz BFAWJDBYMZHKOX-RBUKOAKNSA-N 2 2 345.487 1.265 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000637511498 451916774 /nfs/dbraw/zinc/91/67/74/451916774.db2.gz UYACLDYNCSTUCU-RDJZCZTQSA-N 2 2 338.496 1.221 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000637511498 451916782 /nfs/dbraw/zinc/91/67/82/451916782.db2.gz UYACLDYNCSTUCU-RDJZCZTQSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)CC2 ZINC000651568895 451923089 /nfs/dbraw/zinc/92/30/89/451923089.db2.gz AWXZVOJXXBRINZ-HUUCEWRRSA-N 2 2 325.416 1.544 20 0 EDADLP Cc1cc(Br)c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC000651581659 451934451 /nfs/dbraw/zinc/93/44/51/451934451.db2.gz JOJZCGPEUDBZKL-UHFFFAOYSA-N 2 2 346.294 1.683 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])[NH+]2CCOCC2)cc1 ZINC000649303270 451980255 /nfs/dbraw/zinc/98/02/55/451980255.db2.gz OHTYJWKMQIKKSJ-QYZOEREBSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)O1 ZINC000637655129 452000135 /nfs/dbraw/zinc/00/01/35/452000135.db2.gz NUNLZRRVRCKOSW-WTTBNOFXSA-N 2 2 338.496 1.362 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)O1 ZINC000637655129 452000143 /nfs/dbraw/zinc/00/01/43/452000143.db2.gz NUNLZRRVRCKOSW-WTTBNOFXSA-N 2 2 338.496 1.362 20 0 EDADLP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000653568322 452018928 /nfs/dbraw/zinc/01/89/28/452018928.db2.gz QSCIEGYZAYSTPZ-QZTJIDSGSA-N 2 2 335.492 1.656 20 0 EDADLP CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000653568322 452018933 /nfs/dbraw/zinc/01/89/33/452018933.db2.gz QSCIEGYZAYSTPZ-QZTJIDSGSA-N 2 2 335.492 1.656 20 0 EDADLP CC[C@@H]1CN(C)c2ccccc2C[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000653568322 452018940 /nfs/dbraw/zinc/01/89/40/452018940.db2.gz QSCIEGYZAYSTPZ-QZTJIDSGSA-N 2 2 335.492 1.656 20 0 EDADLP CC[C@@H]1CN(C)c2ccccc2C[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000653568322 452018943 /nfs/dbraw/zinc/01/89/43/452018943.db2.gz QSCIEGYZAYSTPZ-QZTJIDSGSA-N 2 2 335.492 1.656 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)ccc21 ZINC000653618143 452043313 /nfs/dbraw/zinc/04/33/13/452043313.db2.gz NRJNOIHERLBNDJ-WBVHZDCISA-N 2 2 332.448 1.688 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)ccc21 ZINC000653618143 452043318 /nfs/dbraw/zinc/04/33/18/452043318.db2.gz NRJNOIHERLBNDJ-WBVHZDCISA-N 2 2 332.448 1.688 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCOCC1 ZINC000647076229 452046162 /nfs/dbraw/zinc/04/61/62/452046162.db2.gz CUYIVUOEIJGZKG-ZIAGYGMSSA-N 2 2 333.423 1.237 20 0 EDADLP Cc1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c(OCC[NH+](C)C)c1 ZINC000639714118 452055323 /nfs/dbraw/zinc/05/53/23/452055323.db2.gz ACWITLFTBVNXHU-CQSZACIVSA-N 2 2 343.431 1.878 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000649411306 452073449 /nfs/dbraw/zinc/07/34/49/452073449.db2.gz GMEWQROKPXUVSW-UHFFFAOYSA-N 2 2 331.420 1.163 20 0 EDADLP CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641541652 452073788 /nfs/dbraw/zinc/07/37/88/452073788.db2.gz FEMZXUGMAKXUFF-KRWDZBQOSA-N 2 2 349.500 1.389 20 0 EDADLP CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641541652 452073794 /nfs/dbraw/zinc/07/37/94/452073794.db2.gz FEMZXUGMAKXUFF-KRWDZBQOSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1CCN([C@H](c2nc([C@H]3CCC[NH2+]3)no2)c2ccccc2)CC1 ZINC000647150773 452091115 /nfs/dbraw/zinc/09/11/15/452091115.db2.gz NNRUACDMWIRPDI-CVEARBPZSA-N 2 2 327.432 1.831 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)OC3(CCCCC3)C2)CC1 ZINC000653907970 452171439 /nfs/dbraw/zinc/17/14/39/452171439.db2.gz CWWQLBKIJNORRN-SJORKVTESA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)OC3(CCCCC3)C2)CC1 ZINC000653907970 452171443 /nfs/dbraw/zinc/17/14/43/452171443.db2.gz CWWQLBKIJNORRN-SJORKVTESA-N 2 2 337.508 1.963 20 0 EDADLP CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637952898 452198825 /nfs/dbraw/zinc/19/88/25/452198825.db2.gz MHOYSODBHOOAMM-GOSISDBHSA-N 2 2 347.459 1.108 20 0 EDADLP CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637952898 452198830 /nfs/dbraw/zinc/19/88/30/452198830.db2.gz MHOYSODBHOOAMM-GOSISDBHSA-N 2 2 347.459 1.108 20 0 EDADLP Nc1cnccc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000641705222 452212017 /nfs/dbraw/zinc/21/20/17/452212017.db2.gz MQDDGCOUPZIVPU-UHFFFAOYSA-N 2 2 325.460 1.966 20 0 EDADLP CCCN(C(=O)NCC[NH+]1CCOC(C)(C)C1)[C@H]1CC[N@H+](C)C1 ZINC000645241110 452230818 /nfs/dbraw/zinc/23/08/18/452230818.db2.gz WYPYOKRXGBUBFT-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCCN(C(=O)NCC[NH+]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645241110 452230826 /nfs/dbraw/zinc/23/08/26/452230826.db2.gz WYPYOKRXGBUBFT-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H]1CC[NH+](C)C1 ZINC000645241110 452230828 /nfs/dbraw/zinc/23/08/28/452230828.db2.gz WYPYOKRXGBUBFT-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H]1CC[NH+](C)C1 ZINC000645241110 452230831 /nfs/dbraw/zinc/23/08/31/452230831.db2.gz WYPYOKRXGBUBFT-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP COC1([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000641783942 452250769 /nfs/dbraw/zinc/25/07/69/452250769.db2.gz BATKQGDRPRUKCV-SJORKVTESA-N 2 2 325.497 1.330 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCN(C)S(=O)(=O)c2ccc(F)cc2)n1C ZINC000657454935 452256627 /nfs/dbraw/zinc/25/66/27/452256627.db2.gz OPYJYYKCDRVESG-UHFFFAOYSA-N 2 2 340.424 1.278 20 0 EDADLP CC(C)Cn1nccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786447 452259572 /nfs/dbraw/zinc/25/95/72/452259572.db2.gz AODGUODZNINFSM-GOSISDBHSA-N 2 2 349.523 1.425 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](O)[C@H]3CCOC3)c2cc1C ZINC000647527806 452262854 /nfs/dbraw/zinc/26/28/54/452262854.db2.gz VJJIYEWUTFEGLU-HDMKZQKVSA-N 2 2 333.432 1.001 20 0 EDADLP CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657464257 452264154 /nfs/dbraw/zinc/26/41/54/452264154.db2.gz LNMUHAMVRRZXFW-JSGCOSHPSA-N 2 2 326.466 1.027 20 0 EDADLP CN(C)c1ccccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788496 452265739 /nfs/dbraw/zinc/26/57/39/452265739.db2.gz NPGBBRJBKBPXHH-LJQANCHMSA-N 2 2 346.519 1.639 20 0 EDADLP COC[C@H](CC(C)C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789103 452267680 /nfs/dbraw/zinc/26/76/80/452267680.db2.gz YRTWLCLPPGUCTK-ROUUACIJSA-N 2 2 327.513 1.434 20 0 EDADLP COCc1cccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641788517 452267870 /nfs/dbraw/zinc/26/78/70/452267870.db2.gz OOFYKTLLBAEQOH-FQEVSTJZSA-N 2 2 347.503 1.719 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659428032 452271953 /nfs/dbraw/zinc/27/19/53/452271953.db2.gz MJKSPYNNUVBCGS-UHFFFAOYSA-N 2 2 327.432 1.868 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000641803247 452280296 /nfs/dbraw/zinc/28/02/96/452280296.db2.gz RQMDEDRJBJUWIU-SJORKVTESA-N 3 2 330.476 1.046 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659436558 452283302 /nfs/dbraw/zinc/28/33/02/452283302.db2.gz USTWQNJAGZYORV-KBAYOESNSA-N 2 2 346.475 1.152 20 0 EDADLP CN(C(=O)c1cc(C(F)F)n[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639960762 452286280 /nfs/dbraw/zinc/28/62/80/452286280.db2.gz DBHRLGGNLKNABF-LBPRGKRZSA-N 2 2 341.406 1.588 20 0 EDADLP CN(C(=O)c1cc(C(F)F)n[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639960762 452286288 /nfs/dbraw/zinc/28/62/88/452286288.db2.gz DBHRLGGNLKNABF-LBPRGKRZSA-N 2 2 341.406 1.588 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000659440668 452288526 /nfs/dbraw/zinc/28/85/26/452288526.db2.gz UDQLFXACPXZXBF-DOTOQJQBSA-N 2 2 334.464 1.275 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2cnccc2n1 ZINC000665738514 452309047 /nfs/dbraw/zinc/30/90/47/452309047.db2.gz HEVCVDXJFKXBAN-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2cnccc2n1 ZINC000665738514 452309053 /nfs/dbraw/zinc/30/90/53/452309053.db2.gz HEVCVDXJFKXBAN-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP C[C@H](CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+](C)C ZINC000663588708 452314236 /nfs/dbraw/zinc/31/42/36/452314236.db2.gz MADGVZPNJNYHNL-CQSZACIVSA-N 2 2 335.452 1.058 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cc2[nH+]1 ZINC000657528233 452315180 /nfs/dbraw/zinc/31/51/80/452315180.db2.gz SZFBGBWQPWXIKH-CYBMUJFWSA-N 2 2 341.415 1.182 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cc2[nH+]1 ZINC000657528233 452315193 /nfs/dbraw/zinc/31/51/93/452315193.db2.gz SZFBGBWQPWXIKH-CYBMUJFWSA-N 2 2 341.415 1.182 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000641847866 452327037 /nfs/dbraw/zinc/32/70/37/452327037.db2.gz GQIJUYRZUQAWEN-OAHLLOKOSA-N 2 2 343.475 1.554 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000641847866 452327044 /nfs/dbraw/zinc/32/70/44/452327044.db2.gz GQIJUYRZUQAWEN-OAHLLOKOSA-N 2 2 343.475 1.554 20 0 EDADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000645369503 452349239 /nfs/dbraw/zinc/34/92/39/452349239.db2.gz FZYIICYTQGFHDB-CYBMUJFWSA-N 2 2 325.840 1.521 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638060569 452350984 /nfs/dbraw/zinc/35/09/84/452350984.db2.gz XJAJTKKNRZAKFS-ROUUACIJSA-N 2 2 332.492 1.388 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000638062763 452357640 /nfs/dbraw/zinc/35/76/40/452357640.db2.gz WEGAZJNIEDCSIR-MAUKXSAKSA-N 2 2 332.448 1.455 20 0 EDADLP COc1nccnc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657594853 452364051 /nfs/dbraw/zinc/36/40/51/452364051.db2.gz DOTVCWIEAGGFBN-INIZCTEOSA-N 2 2 328.416 1.342 20 0 EDADLP COc1nccnc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657594853 452364059 /nfs/dbraw/zinc/36/40/59/452364059.db2.gz DOTVCWIEAGGFBN-INIZCTEOSA-N 2 2 328.416 1.342 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000661551174 452367554 /nfs/dbraw/zinc/36/75/54/452367554.db2.gz OMKMJVYJTQXCML-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCCC[C@H]1C ZINC000663629128 452367513 /nfs/dbraw/zinc/36/75/13/452367513.db2.gz NOVBQTOPBVFRIW-IAGOWNOFSA-N 3 2 341.544 1.432 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCCC[C@H]1C ZINC000663629128 452367520 /nfs/dbraw/zinc/36/75/20/452367520.db2.gz NOVBQTOPBVFRIW-IAGOWNOFSA-N 3 2 341.544 1.432 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000663629128 452367526 /nfs/dbraw/zinc/36/75/26/452367526.db2.gz NOVBQTOPBVFRIW-IAGOWNOFSA-N 3 2 341.544 1.432 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000663629128 452367532 /nfs/dbraw/zinc/36/75/32/452367532.db2.gz NOVBQTOPBVFRIW-IAGOWNOFSA-N 3 2 341.544 1.432 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000661551174 452367559 /nfs/dbraw/zinc/36/75/59/452367559.db2.gz OMKMJVYJTQXCML-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@@H]1CCC[C@]1(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655551902 452369645 /nfs/dbraw/zinc/36/96/45/452369645.db2.gz JZGYMFWPTNRCCF-RKVPGOIHSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@@H]1CCC[C@]1(O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655551902 452369654 /nfs/dbraw/zinc/36/96/54/452369654.db2.gz JZGYMFWPTNRCCF-RKVPGOIHSA-N 2 2 338.496 1.005 20 0 EDADLP CC[C@]1(O)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000640033254 452372412 /nfs/dbraw/zinc/37/24/12/452372412.db2.gz KVSBKIQNLVKXKN-SFHVURJKSA-N 2 2 335.448 1.161 20 0 EDADLP CC[C@]1(O)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000640033254 452372422 /nfs/dbraw/zinc/37/24/22/452372422.db2.gz KVSBKIQNLVKXKN-SFHVURJKSA-N 2 2 335.448 1.161 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659518618 452382511 /nfs/dbraw/zinc/38/25/11/452382511.db2.gz YXQUFFXIDQHXRV-ZWKOTPCHSA-N 2 2 347.507 1.085 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659518618 452382525 /nfs/dbraw/zinc/38/25/25/452382525.db2.gz YXQUFFXIDQHXRV-ZWKOTPCHSA-N 2 2 347.507 1.085 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638075436 452385240 /nfs/dbraw/zinc/38/52/40/452385240.db2.gz RKDKDESKBMXIJT-YJBOKZPZSA-N 2 2 343.475 1.403 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638076426 452389703 /nfs/dbraw/zinc/38/97/03/452389703.db2.gz KPRVGPZZFHSCQN-LJQANCHMSA-N 3 2 347.503 1.781 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638076426 452389709 /nfs/dbraw/zinc/38/97/09/452389709.db2.gz KPRVGPZZFHSCQN-LJQANCHMSA-N 3 2 347.503 1.781 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000654375024 452427956 /nfs/dbraw/zinc/42/79/56/452427956.db2.gz QDQHZHQHFWUFHO-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[N@H+](C[C@H]1COCCO1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000661612314 452430827 /nfs/dbraw/zinc/43/08/27/452430827.db2.gz QQYQJYXJHCOKAD-OALUTQOASA-N 2 2 334.460 1.625 20 0 EDADLP C[N@@H+](C[C@H]1COCCO1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000661612314 452430837 /nfs/dbraw/zinc/43/08/37/452430837.db2.gz QQYQJYXJHCOKAD-OALUTQOASA-N 2 2 334.460 1.625 20 0 EDADLP C[NH+](C[C@H]1COCCO1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000661612314 452430849 /nfs/dbraw/zinc/43/08/49/452430849.db2.gz QQYQJYXJHCOKAD-OALUTQOASA-N 2 2 334.460 1.625 20 0 EDADLP C[NH+](C[C@H]1COCCO1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000661612314 452430855 /nfs/dbraw/zinc/43/08/55/452430855.db2.gz QQYQJYXJHCOKAD-OALUTQOASA-N 2 2 334.460 1.625 20 0 EDADLP COc1ccnc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1F ZINC000657674183 452434712 /nfs/dbraw/zinc/43/47/12/452434712.db2.gz ZFWXRZMPBSMUPM-UHFFFAOYSA-N 2 2 346.410 1.061 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@H]1C ZINC000663758734 452487783 /nfs/dbraw/zinc/48/77/83/452487783.db2.gz ABFVPVYNWKKNKU-HUUCEWRRSA-N 2 2 333.480 1.747 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@H]1C ZINC000663758734 452487787 /nfs/dbraw/zinc/48/77/87/452487787.db2.gz ABFVPVYNWKKNKU-HUUCEWRRSA-N 2 2 333.480 1.747 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000657798364 452533876 /nfs/dbraw/zinc/53/38/76/452533876.db2.gz JKHKLDRHSKCROP-LJQANCHMSA-N 2 2 341.503 1.943 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000657798364 452533886 /nfs/dbraw/zinc/53/38/86/452533886.db2.gz JKHKLDRHSKCROP-LJQANCHMSA-N 2 2 341.503 1.943 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1C[NH3+] ZINC000652356997 452533988 /nfs/dbraw/zinc/53/39/88/452533988.db2.gz VKPJHVGFBDZDET-DAXOMENPSA-N 2 2 337.851 1.741 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1C[NH3+] ZINC000652356997 452533996 /nfs/dbraw/zinc/53/39/96/452533996.db2.gz VKPJHVGFBDZDET-DAXOMENPSA-N 2 2 337.851 1.741 20 0 EDADLP Cc1ccnc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000652370887 452559190 /nfs/dbraw/zinc/55/91/90/452559190.db2.gz VGQAVFSOWZKSGD-HNNXBMFYSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1ccnc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000652370887 452559200 /nfs/dbraw/zinc/55/92/00/452559200.db2.gz VGQAVFSOWZKSGD-HNNXBMFYSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000661775154 452570894 /nfs/dbraw/zinc/57/08/94/452570894.db2.gz VYIQNRIQFWYHQN-GOEBONIOSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000661775154 452570898 /nfs/dbraw/zinc/57/08/98/452570898.db2.gz VYIQNRIQFWYHQN-GOEBONIOSA-N 2 2 337.489 1.238 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2[nH+]1 ZINC000657856693 452571107 /nfs/dbraw/zinc/57/11/07/452571107.db2.gz PIMUPQSWANJCHO-ZFWWWQNUSA-N 2 2 343.431 1.522 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647848888 452583355 /nfs/dbraw/zinc/58/33/55/452583355.db2.gz YAFFSUALPAPUDE-UHFFFAOYSA-N 2 2 325.416 1.912 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000647873440 452612979 /nfs/dbraw/zinc/61/29/79/452612979.db2.gz JRPJCLRQXHCGSU-LBPRGKRZSA-N 2 2 346.258 1.864 20 0 EDADLP C[N@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000647873440 452612991 /nfs/dbraw/zinc/61/29/91/452612991.db2.gz JRPJCLRQXHCGSU-LBPRGKRZSA-N 2 2 346.258 1.864 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000647879852 452617889 /nfs/dbraw/zinc/61/78/89/452617889.db2.gz MTELQZXJIBKVPQ-JYJNAYRXSA-N 2 2 346.393 1.961 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000647879852 452617898 /nfs/dbraw/zinc/61/78/98/452617898.db2.gz MTELQZXJIBKVPQ-JYJNAYRXSA-N 2 2 346.393 1.961 20 0 EDADLP CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647886785 452624620 /nfs/dbraw/zinc/62/46/20/452624620.db2.gz VZAPTDLHBCJHSC-IRXDYDNUSA-N 2 2 345.487 1.770 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902831 452644767 /nfs/dbraw/zinc/64/47/67/452644767.db2.gz COSPUYBFNOXTLT-DLBZAZTESA-N 2 2 325.497 1.629 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902831 452644777 /nfs/dbraw/zinc/64/47/77/452644777.db2.gz COSPUYBFNOXTLT-DLBZAZTESA-N 2 2 325.497 1.629 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000647934457 452676182 /nfs/dbraw/zinc/67/61/82/452676182.db2.gz GFXSNYMLWUJZOH-NXHRZFHOSA-N 3 2 332.492 1.465 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000647934457 452676184 /nfs/dbraw/zinc/67/61/84/452676184.db2.gz GFXSNYMLWUJZOH-NXHRZFHOSA-N 3 2 332.492 1.465 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC[C@H]1[NH3+] ZINC000647938824 452680117 /nfs/dbraw/zinc/68/01/17/452680117.db2.gz VTKHWPFHOGWGDC-MGPQQGTHSA-N 2 2 330.432 1.419 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC[C@H]1[NH3+] ZINC000647938824 452680123 /nfs/dbraw/zinc/68/01/23/452680123.db2.gz VTKHWPFHOGWGDC-MGPQQGTHSA-N 2 2 330.432 1.419 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCCNc1ccc2ccccc2[nH+]1)C(F)(F)F ZINC000655918932 452681655 /nfs/dbraw/zinc/68/16/55/452681655.db2.gz NVTKVGONIKCDGU-GFCCVEGCSA-N 2 2 341.337 1.836 20 0 EDADLP CC(C)c1nc(N2CCC(CO)([NH2+]CC3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000663992977 452694794 /nfs/dbraw/zinc/69/47/94/452694794.db2.gz XATWBFNEXVJPRN-UHFFFAOYSA-N 2 2 348.495 1.392 20 0 EDADLP CC(C)c1nc(N(C)C)nc(N2CCC(CO)([NH2+]CC3CC3)CC2)[nH+]1 ZINC000663992977 452694800 /nfs/dbraw/zinc/69/48/00/452694800.db2.gz XATWBFNEXVJPRN-UHFFFAOYSA-N 2 2 348.495 1.392 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000647958369 452702485 /nfs/dbraw/zinc/70/24/85/452702485.db2.gz RKSCIDVFAAXOCC-SJORKVTESA-N 2 2 349.523 1.885 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000647958369 452702491 /nfs/dbraw/zinc/70/24/91/452702491.db2.gz RKSCIDVFAAXOCC-SJORKVTESA-N 2 2 349.523 1.885 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000647958369 452702501 /nfs/dbraw/zinc/70/25/01/452702501.db2.gz RKSCIDVFAAXOCC-SJORKVTESA-N 2 2 349.523 1.885 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000647958369 452702507 /nfs/dbraw/zinc/70/25/07/452702507.db2.gz RKSCIDVFAAXOCC-SJORKVTESA-N 2 2 349.523 1.885 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659864258 452745590 /nfs/dbraw/zinc/74/55/90/452745590.db2.gz KZLQLRNZYPTPGE-NVXWUHKLSA-N 2 2 327.513 1.560 20 0 EDADLP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659864258 452745598 /nfs/dbraw/zinc/74/55/98/452745598.db2.gz KZLQLRNZYPTPGE-NVXWUHKLSA-N 2 2 327.513 1.560 20 0 EDADLP COc1ncncc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000648022199 452759833 /nfs/dbraw/zinc/75/98/33/452759833.db2.gz AMHPMNPLMCKDCF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2=O)cc1 ZINC000658158306 452765314 /nfs/dbraw/zinc/76/53/14/452765314.db2.gz ZJRWTRAMGMLZKB-HBUWYVDXSA-N 2 2 329.444 1.873 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2=O)cc1 ZINC000658158306 452765325 /nfs/dbraw/zinc/76/53/25/452765325.db2.gz ZJRWTRAMGMLZKB-HBUWYVDXSA-N 2 2 329.444 1.873 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654659408 452772822 /nfs/dbraw/zinc/77/28/22/452772822.db2.gz DDMHTINKZXSYLO-NUJGCVRESA-N 2 2 345.491 1.810 20 0 EDADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000648065244 452794401 /nfs/dbraw/zinc/79/44/01/452794401.db2.gz YRNPSMMASCBQMM-LBPRGKRZSA-N 2 2 335.839 1.540 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000664183129 452850846 /nfs/dbraw/zinc/85/08/46/452850846.db2.gz QYXAUWJPHIUNCH-RRFJBIMHSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000664183129 452850855 /nfs/dbraw/zinc/85/08/55/452850855.db2.gz QYXAUWJPHIUNCH-RRFJBIMHSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000654745763 452876837 /nfs/dbraw/zinc/87/68/37/452876837.db2.gz ZJVNGRITLAWDJM-CZUORRHYSA-N 2 2 339.867 1.468 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662147845 452881786 /nfs/dbraw/zinc/88/17/86/452881786.db2.gz WQUHRQCNMWEEPR-GPMSIDNRSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662147845 452881791 /nfs/dbraw/zinc/88/17/91/452881791.db2.gz WQUHRQCNMWEEPR-GPMSIDNRSA-N 2 2 346.475 1.069 20 0 EDADLP O[C@H](COc1ccccc1F)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662161990 452902770 /nfs/dbraw/zinc/90/27/70/452902770.db2.gz YEARNIRRHZCUTG-HOTGVXAUSA-N 2 2 338.423 1.096 20 0 EDADLP O[C@H](COc1ccccc1F)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662161990 452902777 /nfs/dbraw/zinc/90/27/77/452902777.db2.gz YEARNIRRHZCUTG-HOTGVXAUSA-N 2 2 338.423 1.096 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)CO1 ZINC000664234122 452909894 /nfs/dbraw/zinc/90/98/94/452909894.db2.gz QLTWXDJIEOFQRZ-ZSNVMCELSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)CO1 ZINC000664234122 452909904 /nfs/dbraw/zinc/90/99/04/452909904.db2.gz QLTWXDJIEOFQRZ-ZSNVMCELSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)CO1 ZINC000664234122 452909911 /nfs/dbraw/zinc/90/99/11/452909911.db2.gz QLTWXDJIEOFQRZ-ZSNVMCELSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)CO1 ZINC000664234122 452909920 /nfs/dbraw/zinc/90/99/20/452909920.db2.gz QLTWXDJIEOFQRZ-ZSNVMCELSA-N 2 2 338.496 1.410 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c(C)c[nH+]1 ZINC000666495729 452915699 /nfs/dbraw/zinc/91/56/99/452915699.db2.gz BELLQFCSKSULMR-IAGOWNOFSA-N 2 2 344.459 1.885 20 0 EDADLP COc1cccc(SCC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000662264178 452992575 /nfs/dbraw/zinc/99/25/75/452992575.db2.gz BPWIMXJDDYTWHJ-HNNXBMFYSA-N 2 2 349.500 1.684 20 0 EDADLP COc1cccc(SCC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000662264178 452992581 /nfs/dbraw/zinc/99/25/81/452992581.db2.gz BPWIMXJDDYTWHJ-HNNXBMFYSA-N 2 2 349.500 1.684 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc2c1OCCC2=O ZINC000666618474 453013503 /nfs/dbraw/zinc/01/35/03/453013503.db2.gz RTODORFARGJNLN-UHFFFAOYSA-N 2 2 348.447 1.657 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc2c1OCCC2=O ZINC000666618474 453013513 /nfs/dbraw/zinc/01/35/13/453013513.db2.gz RTODORFARGJNLN-UHFFFAOYSA-N 2 2 348.447 1.657 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000666645492 453031914 /nfs/dbraw/zinc/03/19/14/453031914.db2.gz UDDJXEOVXVBSTK-RBUKOAKNSA-N 2 2 344.503 1.390 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000666645492 453031922 /nfs/dbraw/zinc/03/19/22/453031922.db2.gz UDDJXEOVXVBSTK-RBUKOAKNSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319437 453035734 /nfs/dbraw/zinc/03/57/34/453035734.db2.gz NFUDTVLIWZZCIL-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319437 453035744 /nfs/dbraw/zinc/03/57/44/453035744.db2.gz NFUDTVLIWZZCIL-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000656313914 453055007 /nfs/dbraw/zinc/05/50/07/453055007.db2.gz INOQOVQUYLBFOB-HYVNUMGLSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CC[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000656313914 453055012 /nfs/dbraw/zinc/05/50/12/453055012.db2.gz INOQOVQUYLBFOB-HYVNUMGLSA-N 2 2 338.496 1.364 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C)[nH+]1 ZINC000654946539 453059291 /nfs/dbraw/zinc/05/92/91/453059291.db2.gz KUJMBEQYZCOSHW-HZPDHXFCSA-N 2 2 330.432 1.770 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C)[nH+]1 ZINC000654946539 453059298 /nfs/dbraw/zinc/05/92/98/453059298.db2.gz KUJMBEQYZCOSHW-HZPDHXFCSA-N 2 2 330.432 1.770 20 0 EDADLP CC[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000652908830 453091920 /nfs/dbraw/zinc/09/19/20/453091920.db2.gz LLTALWGIQZKZHQ-CVEARBPZSA-N 2 2 337.468 1.273 20 0 EDADLP CC[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000652908830 453091928 /nfs/dbraw/zinc/09/19/28/453091928.db2.gz LLTALWGIQZKZHQ-CVEARBPZSA-N 2 2 337.468 1.273 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000662387801 453098629 /nfs/dbraw/zinc/09/86/29/453098629.db2.gz WIEDUTKCIFRVDN-CQSZACIVSA-N 2 2 342.447 1.658 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000666734197 453104536 /nfs/dbraw/zinc/10/45/36/453104536.db2.gz CDATYOPGZFOGHA-UHFFFAOYSA-N 2 2 345.447 1.077 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000660237423 453147460 /nfs/dbraw/zinc/14/74/60/453147460.db2.gz CJBCCDQVWUPZHW-CABCVRRESA-N 2 2 345.281 1.773 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000660237423 453147466 /nfs/dbraw/zinc/14/74/66/453147466.db2.gz CJBCCDQVWUPZHW-CABCVRRESA-N 2 2 345.281 1.773 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000660237425 453147481 /nfs/dbraw/zinc/14/74/81/453147481.db2.gz CJBCCDQVWUPZHW-HUUCEWRRSA-N 2 2 345.281 1.773 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000660237425 453147485 /nfs/dbraw/zinc/14/74/85/453147485.db2.gz CJBCCDQVWUPZHW-HUUCEWRRSA-N 2 2 345.281 1.773 20 0 EDADLP CC(C)(CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000660250011 453155675 /nfs/dbraw/zinc/15/56/75/453155675.db2.gz PRQSJRYHLPGJDO-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CN(C)[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)c1c[nH+]cn1C ZINC000655050931 453171731 /nfs/dbraw/zinc/17/17/31/453171731.db2.gz RYTTUISFGYRLOA-KRWDZBQOSA-N 2 2 333.480 1.357 20 0 EDADLP CN(C)[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)c1c[nH+]cn1C ZINC000655050931 453171735 /nfs/dbraw/zinc/17/17/35/453171735.db2.gz RYTTUISFGYRLOA-KRWDZBQOSA-N 2 2 333.480 1.357 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000664536363 453175468 /nfs/dbraw/zinc/17/54/68/453175468.db2.gz OAFBZCROYWRJFA-AEFFLSMTSA-N 2 2 344.459 1.289 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000664536363 453175472 /nfs/dbraw/zinc/17/54/72/453175472.db2.gz OAFBZCROYWRJFA-AEFFLSMTSA-N 2 2 344.459 1.289 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000664536364 453176724 /nfs/dbraw/zinc/17/67/24/453176724.db2.gz OAFBZCROYWRJFA-FUHWJXTLSA-N 2 2 344.459 1.289 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000664536364 453176734 /nfs/dbraw/zinc/17/67/34/453176734.db2.gz OAFBZCROYWRJFA-FUHWJXTLSA-N 2 2 344.459 1.289 20 0 EDADLP C[C@@H]1CCC[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000664540174 453180278 /nfs/dbraw/zinc/18/02/78/453180278.db2.gz VESQIWQUUMPOBO-GDBMZVCRSA-N 2 2 326.485 1.269 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653043884 453229127 /nfs/dbraw/zinc/22/91/27/453229127.db2.gz HNPQRDWCADBAMB-HNNXBMFYSA-N 2 2 328.416 1.587 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000653058883 453234751 /nfs/dbraw/zinc/23/47/51/453234751.db2.gz KPFATTXJFSPECW-LLVKDONJSA-N 2 2 347.246 1.327 20 0 EDADLP CCN(CC(=O)Nc1c(F)cccc1F)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058496 453235052 /nfs/dbraw/zinc/23/50/52/453235052.db2.gz WFGDFCNEWZWTKQ-ZDUSSCGKSA-N 2 2 342.390 1.031 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000653064477 453241813 /nfs/dbraw/zinc/24/18/13/453241813.db2.gz WEKLLZUEOJEMMX-JTQLQIEISA-N 2 2 337.317 1.984 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000646232066 453243342 /nfs/dbraw/zinc/24/33/42/453243342.db2.gz KCZXBKZVQVPBAA-UHFFFAOYSA-N 2 2 325.416 1.572 20 0 EDADLP CC[NH+]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662524542 453243795 /nfs/dbraw/zinc/24/37/95/453243795.db2.gz YEJMHFYASOFSJQ-UHFFFAOYSA-N 2 2 344.278 1.892 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cn21 ZINC000646234247 453245469 /nfs/dbraw/zinc/24/54/69/453245469.db2.gz FILPUTZHNGBJGH-GOSISDBHSA-N 2 2 327.432 1.580 20 0 EDADLP CC(C)n1ccnc1C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000648771722 453249971 /nfs/dbraw/zinc/24/99/71/453249971.db2.gz HAVSTUDAOFGCAR-IAGOWNOFSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1ccnc1C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000648771722 453249977 /nfs/dbraw/zinc/24/99/77/453249977.db2.gz HAVSTUDAOFGCAR-IAGOWNOFSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1ccnc1C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648771722 453249982 /nfs/dbraw/zinc/24/99/82/453249982.db2.gz HAVSTUDAOFGCAR-IAGOWNOFSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1ccnc1C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648771722 453249984 /nfs/dbraw/zinc/24/99/84/453249984.db2.gz HAVSTUDAOFGCAR-IAGOWNOFSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648771722 453249988 /nfs/dbraw/zinc/24/99/88/453249988.db2.gz HAVSTUDAOFGCAR-IAGOWNOFSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648771722 453249993 /nfs/dbraw/zinc/24/99/93/453249993.db2.gz HAVSTUDAOFGCAR-IAGOWNOFSA-N 2 2 347.507 1.839 20 0 EDADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662531606 453254896 /nfs/dbraw/zinc/25/48/96/453254896.db2.gz YTRUKNABTHLSDB-HUUCEWRRSA-N 2 2 349.500 1.767 20 0 EDADLP Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653081938 453261940 /nfs/dbraw/zinc/26/19/40/453261940.db2.gz DJZSCUOGIFUERZ-HNNXBMFYSA-N 2 2 334.464 1.598 20 0 EDADLP [NH3+][C@H](C(=O)NCC[N@H+]1CC=CCC1)c1ccccc1Br ZINC000662547168 453275317 /nfs/dbraw/zinc/27/53/17/453275317.db2.gz VBMDEQPSAIWLBL-AWEZNQCLSA-N 2 2 338.249 1.827 20 0 EDADLP [NH3+][C@H](C(=O)NCC[N@@H+]1CC=CCC1)c1ccccc1Br ZINC000662547168 453275319 /nfs/dbraw/zinc/27/53/19/453275319.db2.gz VBMDEQPSAIWLBL-AWEZNQCLSA-N 2 2 338.249 1.827 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000653094679 453278603 /nfs/dbraw/zinc/27/86/03/453278603.db2.gz MYGIRCKPDPZJDC-ZBFHGGJFSA-N 2 2 335.423 1.526 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CC(F)(F)C[NH3+])c1ccccc1F ZINC000653106970 453290051 /nfs/dbraw/zinc/29/00/51/453290051.db2.gz RYDXKYHPICGPGU-CYBMUJFWSA-N 2 2 326.322 1.749 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653108653 453291298 /nfs/dbraw/zinc/29/12/98/453291298.db2.gz CSNRMHKHGPZMGY-APWZRJJASA-N 3 2 346.519 1.814 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653108653 453291301 /nfs/dbraw/zinc/29/13/01/453291301.db2.gz CSNRMHKHGPZMGY-APWZRJJASA-N 3 2 346.519 1.814 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]CC3)c[nH+]2)C[C@@H](C)O1 ZINC000653108753 453293250 /nfs/dbraw/zinc/29/32/50/453293250.db2.gz GVGTXXROAPVDMS-INMHGKMJSA-N 2 2 346.475 1.701 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000653113388 453300219 /nfs/dbraw/zinc/30/02/19/453300219.db2.gz AUBARHFNBPUEOO-ZBFHGGJFSA-N 3 2 338.521 1.355 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000653113388 453300223 /nfs/dbraw/zinc/30/02/23/453300223.db2.gz AUBARHFNBPUEOO-ZBFHGGJFSA-N 3 2 338.521 1.355 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000653114889 453302618 /nfs/dbraw/zinc/30/26/18/453302618.db2.gz ZXQRAJWSLQJMDB-OAHLLOKOSA-N 3 2 336.505 1.453 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CCC[C@H]([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000660472062 453330554 /nfs/dbraw/zinc/33/05/54/453330554.db2.gz BPNGAHMTBWPSLE-KSZLIROESA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CCC[C@H]([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000660472062 453330559 /nfs/dbraw/zinc/33/05/59/453330559.db2.gz BPNGAHMTBWPSLE-KSZLIROESA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000660472062 453330565 /nfs/dbraw/zinc/33/05/65/453330565.db2.gz BPNGAHMTBWPSLE-KSZLIROESA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1CN(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000660472062 453330571 /nfs/dbraw/zinc/33/05/71/453330571.db2.gz BPNGAHMTBWPSLE-KSZLIROESA-N 2 2 325.497 1.282 20 0 EDADLP CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474431 453335105 /nfs/dbraw/zinc/33/51/05/453335105.db2.gz JRFZDACZDGUQNL-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CC(C)(C)CCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474431 453335108 /nfs/dbraw/zinc/33/51/08/453335108.db2.gz JRFZDACZDGUQNL-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151709 453339903 /nfs/dbraw/zinc/33/99/03/453339903.db2.gz POHGKWZVPJONDH-SJLPKXTDSA-N 3 2 332.492 1.388 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151709 453339909 /nfs/dbraw/zinc/33/99/09/453339909.db2.gz POHGKWZVPJONDH-SJLPKXTDSA-N 3 2 332.492 1.388 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646379248 453356330 /nfs/dbraw/zinc/35/63/30/453356330.db2.gz OLCRPIIRTLZIMV-LNLFQRSKSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646379248 453356340 /nfs/dbraw/zinc/35/63/40/453356340.db2.gz OLCRPIIRTLZIMV-LNLFQRSKSA-N 2 2 349.519 1.868 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000662671474 453386794 /nfs/dbraw/zinc/38/67/94/453386794.db2.gz UEWGGUDWOGEDQY-ZWKOTPCHSA-N 2 2 347.459 1.093 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CC[N@@H+]1C ZINC000648925447 453402917 /nfs/dbraw/zinc/40/29/17/453402917.db2.gz KTIODCOVJBZSKJ-NVXWUHKLSA-N 2 2 335.448 1.281 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)CC[N@H+]1C ZINC000648925447 453402920 /nfs/dbraw/zinc/40/29/20/453402920.db2.gz KTIODCOVJBZSKJ-NVXWUHKLSA-N 2 2 335.448 1.281 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc2c1OCC(=O)N2 ZINC000667112927 453413122 /nfs/dbraw/zinc/41/31/22/453413122.db2.gz WVPFPAOYTBZORZ-UHFFFAOYSA-N 2 2 349.435 1.023 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc2c1OCC(=O)N2 ZINC000667112927 453413129 /nfs/dbraw/zinc/41/31/29/453413129.db2.gz WVPFPAOYTBZORZ-UHFFFAOYSA-N 2 2 349.435 1.023 20 0 EDADLP Cc1cc(C)c(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c(C)[nH+]1 ZINC000667119605 453418481 /nfs/dbraw/zinc/41/84/81/453418481.db2.gz XOMPYVIQDZMBHN-UHFFFAOYSA-N 2 2 335.452 1.491 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000660590056 453430273 /nfs/dbraw/zinc/43/02/73/453430273.db2.gz MPBBYFNNHQGOCW-NSHDSACASA-N 2 2 333.358 1.729 20 0 EDADLP CCN(C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658824546 453442861 /nfs/dbraw/zinc/44/28/61/453442861.db2.gz ICZBFXPGBXZQKL-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP CCN(C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658824546 453442875 /nfs/dbraw/zinc/44/28/75/453442875.db2.gz ICZBFXPGBXZQKL-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP CCN(C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000658824546 453442886 /nfs/dbraw/zinc/44/28/86/453442886.db2.gz ICZBFXPGBXZQKL-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP CCN(C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000658824546 453442894 /nfs/dbraw/zinc/44/28/94/453442894.db2.gz ICZBFXPGBXZQKL-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1c(F)cccc1F ZINC000662733696 453459896 /nfs/dbraw/zinc/45/98/96/453459896.db2.gz JPSZOIDTRPUNBR-ZLKJLUDKSA-N 2 2 327.375 1.048 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000662741033 453467916 /nfs/dbraw/zinc/46/79/16/453467916.db2.gz CECZXQXEYDUCML-QRQLOZEOSA-N 2 2 346.519 1.538 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000662741033 453467923 /nfs/dbraw/zinc/46/79/23/453467923.db2.gz CECZXQXEYDUCML-QRQLOZEOSA-N 2 2 346.519 1.538 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651326686 453470515 /nfs/dbraw/zinc/47/05/15/453470515.db2.gz JTVCNOUEMGONRF-UHFFFAOYSA-N 2 2 334.464 1.331 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCc3ccccc3C1)C2 ZINC000660653667 453490416 /nfs/dbraw/zinc/49/04/16/453490416.db2.gz UJMQVRZXEWHDJS-FQEVSTJZSA-N 2 2 327.472 1.989 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCc3ccccc3C1)C2 ZINC000660653667 453490421 /nfs/dbraw/zinc/49/04/21/453490421.db2.gz UJMQVRZXEWHDJS-FQEVSTJZSA-N 2 2 327.472 1.989 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCc3ccccc3C1)C2 ZINC000660653667 453490427 /nfs/dbraw/zinc/49/04/27/453490427.db2.gz UJMQVRZXEWHDJS-FQEVSTJZSA-N 2 2 327.472 1.989 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CCc3ccccc3C1)C2 ZINC000660653667 453490433 /nfs/dbraw/zinc/49/04/33/453490433.db2.gz UJMQVRZXEWHDJS-FQEVSTJZSA-N 2 2 327.472 1.989 20 0 EDADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1=O ZINC000660680938 453508246 /nfs/dbraw/zinc/50/82/46/453508246.db2.gz YAPAAZPKYCERLR-AWEZNQCLSA-N 2 2 330.432 1.181 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000660677993 453508263 /nfs/dbraw/zinc/50/82/63/453508263.db2.gz PMTNHCNBSXGZOK-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679627 453508630 /nfs/dbraw/zinc/50/86/30/453508630.db2.gz QMTBIRUQMDZGMQ-UHFFFAOYSA-N 2 2 339.505 1.522 20 0 EDADLP Cc1nc(N2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)cc[nH+]1 ZINC000662794448 453528639 /nfs/dbraw/zinc/52/86/39/453528639.db2.gz OFZHFYVELMZSEK-UHFFFAOYSA-N 2 2 337.427 1.393 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000655444927 453532253 /nfs/dbraw/zinc/53/22/53/453532253.db2.gz XUXPXFKSFFVMFW-UHFFFAOYSA-N 2 2 348.472 1.930 20 0 EDADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000662799009 453533836 /nfs/dbraw/zinc/53/38/36/453533836.db2.gz HSYZJIVTKYKOGJ-PBHICJAKSA-N 2 2 338.411 1.904 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCc3ccco3)C2)CC1 ZINC000660712978 453541792 /nfs/dbraw/zinc/54/17/92/453541792.db2.gz OWVFCFZIZLQODV-OAHLLOKOSA-N 2 2 334.464 1.680 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCc3ccco3)C2)CC1 ZINC000660712978 453541796 /nfs/dbraw/zinc/54/17/96/453541796.db2.gz OWVFCFZIZLQODV-OAHLLOKOSA-N 2 2 334.464 1.680 20 0 EDADLP Cc1ccncc1CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660714165 453542705 /nfs/dbraw/zinc/54/27/05/453542705.db2.gz XXBVYTCTEWIKGE-QGZVFWFLSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1ccncc1CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660714165 453542707 /nfs/dbraw/zinc/54/27/07/453542707.db2.gz XXBVYTCTEWIKGE-QGZVFWFLSA-N 2 2 345.491 1.400 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646679008 453554764 /nfs/dbraw/zinc/55/47/64/453554764.db2.gz OSHTUQPDVJJARI-HKUYNNGSSA-N 2 2 345.487 1.703 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)CO1 ZINC000665055857 453558137 /nfs/dbraw/zinc/55/81/37/453558137.db2.gz VPJBLCHNPOXUBV-GJZGRUSLSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)CO1 ZINC000665055857 453558139 /nfs/dbraw/zinc/55/81/39/453558139.db2.gz VPJBLCHNPOXUBV-GJZGRUSLSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000665055856 453558179 /nfs/dbraw/zinc/55/81/79/453558179.db2.gz VPJBLCHNPOXUBV-CABCVRRESA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000665055856 453558183 /nfs/dbraw/zinc/55/81/83/453558183.db2.gz VPJBLCHNPOXUBV-CABCVRRESA-N 2 2 338.496 1.412 20 0 EDADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662870258 453581854 /nfs/dbraw/zinc/58/18/54/453581854.db2.gz AXXKRPBPAJJVQV-GOSISDBHSA-N 2 2 343.471 1.241 20 0 EDADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291149 453638427 /nfs/dbraw/zinc/63/84/27/453638427.db2.gz VLEJNDCCRLHVSH-XJKSGUPXSA-N 3 2 333.480 1.774 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000660948559 453658494 /nfs/dbraw/zinc/65/84/94/453658494.db2.gz BBICDVXCOABLCD-HUUCEWRRSA-N 2 2 331.464 1.832 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000660948559 453658499 /nfs/dbraw/zinc/65/84/99/453658499.db2.gz BBICDVXCOABLCD-HUUCEWRRSA-N 2 2 331.464 1.832 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[NH+]2CCOCC2)cc1 ZINC000659280692 453699035 /nfs/dbraw/zinc/69/90/35/453699035.db2.gz UJLIHQDNGJKKCF-ROUUACIJSA-N 2 2 349.475 1.237 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000659284336 453699939 /nfs/dbraw/zinc/69/99/39/453699939.db2.gz HEQBLNDPOOWSTO-KRWDZBQOSA-N 2 2 335.448 1.252 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]([NH3+])COC(C)C)cc1 ZINC000659285314 453700931 /nfs/dbraw/zinc/70/09/31/453700931.db2.gz TUZANYAFLWQCKD-ZWKOTPCHSA-N 2 2 349.475 1.237 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)[C@@H]2CCC[NH+](C)C2)cc1 ZINC000665463836 453703366 /nfs/dbraw/zinc/70/33/66/453703366.db2.gz PAJZPPOOAYVMFQ-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)[C@@H]2CCC[NH+](C)C2)cc1 ZINC000665463836 453703370 /nfs/dbraw/zinc/70/33/70/453703370.db2.gz PAJZPPOOAYVMFQ-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000665463836 453703373 /nfs/dbraw/zinc/70/33/73/453703373.db2.gz PAJZPPOOAYVMFQ-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000665463836 453703377 /nfs/dbraw/zinc/70/33/77/453703377.db2.gz PAJZPPOOAYVMFQ-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205104 453758220 /nfs/dbraw/zinc/75/82/20/453758220.db2.gz PGYJKVZQTCICIV-LSDHHAIUSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205104 453758224 /nfs/dbraw/zinc/75/82/24/453758224.db2.gz PGYJKVZQTCICIV-LSDHHAIUSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205104 453758228 /nfs/dbraw/zinc/75/82/28/453758228.db2.gz PGYJKVZQTCICIV-LSDHHAIUSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205104 453758232 /nfs/dbraw/zinc/75/82/32/453758232.db2.gz PGYJKVZQTCICIV-LSDHHAIUSA-N 2 2 331.464 1.688 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NCc1cccs1 ZINC000663304161 453762821 /nfs/dbraw/zinc/76/28/21/453762821.db2.gz MSGUBRQANRWMQN-HIFRSBDPSA-N 2 2 337.489 1.596 20 0 EDADLP CC(C)(C)CN1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000663304579 453762880 /nfs/dbraw/zinc/76/28/80/453762880.db2.gz RODNOSVUFQFIOW-IRXDYDNUSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1C ZINC000657370747 453776140 /nfs/dbraw/zinc/77/61/40/453776140.db2.gz PRKDQFJHGWGKJA-HKUYNNGSSA-N 2 2 328.460 1.701 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000661397038 453809102 /nfs/dbraw/zinc/80/91/02/453809102.db2.gz KGDVHYPIOMHHLX-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000661397038 453809105 /nfs/dbraw/zinc/80/91/05/453809105.db2.gz KGDVHYPIOMHHLX-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000663525845 453816252 /nfs/dbraw/zinc/81/62/52/453816252.db2.gz CJWJOUOSYFUREL-MRXNPFEDSA-N 2 2 345.422 1.852 20 0 EDADLP C[N@H+](CCNc1nc(N2CCOCC2)cc[nH+]1)Cc1ccccc1 ZINC000676308723 486732014 /nfs/dbraw/zinc/73/20/14/486732014.db2.gz ZUABVCSHZYVQIE-UHFFFAOYSA-N 2 2 327.432 1.857 20 0 EDADLP C[N@@H+](CCNc1nc(N2CCOCC2)cc[nH+]1)Cc1ccccc1 ZINC000676308723 486732018 /nfs/dbraw/zinc/73/20/18/486732018.db2.gz ZUABVCSHZYVQIE-UHFFFAOYSA-N 2 2 327.432 1.857 20 0 EDADLP O=C(C[N@@H+]1CCC12CCOCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000683525006 486745000 /nfs/dbraw/zinc/74/50/00/486745000.db2.gz KYBZRVGRDCZLJK-UHFFFAOYSA-N 2 2 343.471 1.586 20 0 EDADLP O=C(C[N@H+]1CCC12CCOCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000683525006 486745004 /nfs/dbraw/zinc/74/50/04/486745004.db2.gz KYBZRVGRDCZLJK-UHFFFAOYSA-N 2 2 343.471 1.586 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000672695039 486765754 /nfs/dbraw/zinc/76/57/54/486765754.db2.gz GZDQRZYOJWEFOK-LSDHHAIUSA-N 2 2 347.463 1.106 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417047477 486791947 /nfs/dbraw/zinc/79/19/47/486791947.db2.gz YJWBFQVTVDBBND-KURKYZTESA-N 2 2 346.475 1.629 20 0 EDADLP Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000667501095 486811714 /nfs/dbraw/zinc/81/17/14/486811714.db2.gz NBBWVPIKTIJRPF-UHFFFAOYSA-N 2 2 346.397 1.983 20 0 EDADLP Cc1[nH+]cc(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)n1C ZINC000667493197 486808458 /nfs/dbraw/zinc/80/84/58/486808458.db2.gz MGLWPHPRFUQKJP-UHFFFAOYSA-N 2 2 341.459 1.163 20 0 EDADLP C[C@H]1C[N@H+](Cc2c(C3CC3)cnn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000667683295 486912325 /nfs/dbraw/zinc/91/23/25/486912325.db2.gz LLDYAVPOQCQCSD-MAUKXSAKSA-N 2 2 331.508 1.755 20 0 EDADLP C[C@H]1C[N@@H+](Cc2c(C3CC3)cnn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000667683295 486912332 /nfs/dbraw/zinc/91/23/32/486912332.db2.gz LLDYAVPOQCQCSD-MAUKXSAKSA-N 2 2 331.508 1.755 20 0 EDADLP COCc1csc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000667684618 486912885 /nfs/dbraw/zinc/91/28/85/486912885.db2.gz AQIRGTNYDCJVPV-INIZCTEOSA-N 2 2 337.489 1.633 20 0 EDADLP COCc1csc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000667684618 486912888 /nfs/dbraw/zinc/91/28/88/486912888.db2.gz AQIRGTNYDCJVPV-INIZCTEOSA-N 2 2 337.489 1.633 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cn(C4CCC4)nn3)CC2)CC1 ZINC000667688600 486915320 /nfs/dbraw/zinc/91/53/20/486915320.db2.gz XYWXUZNDWBMHAN-UHFFFAOYSA-N 2 2 346.523 1.994 20 0 EDADLP CN(C(=O)c1ccc(O)c(F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681046036 486924282 /nfs/dbraw/zinc/92/42/82/486924282.db2.gz DKMJWDJZEGIMDV-OAHLLOKOSA-N 2 2 335.423 1.772 20 0 EDADLP CN(C(=O)c1ccc(O)c(F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681046036 486924286 /nfs/dbraw/zinc/92/42/86/486924286.db2.gz DKMJWDJZEGIMDV-OAHLLOKOSA-N 2 2 335.423 1.772 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)cc2[nH+]1 ZINC000668162124 487124267 /nfs/dbraw/zinc/12/42/67/487124267.db2.gz PEZCCHPOBOTUEW-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)cc2[nH+]1 ZINC000668162124 487124269 /nfs/dbraw/zinc/12/42/69/487124269.db2.gz PEZCCHPOBOTUEW-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC000677732954 487160999 /nfs/dbraw/zinc/16/09/99/487160999.db2.gz QKITYJFJIGDPCC-AWEZNQCLSA-N 2 2 345.434 1.191 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC000677732954 487161002 /nfs/dbraw/zinc/16/10/02/487161002.db2.gz QKITYJFJIGDPCC-AWEZNQCLSA-N 2 2 345.434 1.191 20 0 EDADLP C[C@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C1CC[NH+](C)CC1 ZINC000681873416 487213086 /nfs/dbraw/zinc/21/30/86/487213086.db2.gz HYADWIMQZIWWSQ-GOEBONIOSA-N 2 2 348.495 1.149 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685463276 487279099 /nfs/dbraw/zinc/27/90/99/487279099.db2.gz NTWQDEPQLNFNCT-AWEZNQCLSA-N 2 2 334.445 1.781 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685463276 487279101 /nfs/dbraw/zinc/27/91/01/487279101.db2.gz NTWQDEPQLNFNCT-AWEZNQCLSA-N 2 2 334.445 1.781 20 0 EDADLP CC1(C)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1CCO ZINC000682006969 487279109 /nfs/dbraw/zinc/27/91/09/487279109.db2.gz RORZDIMUZQZBLD-UHFFFAOYSA-N 2 2 342.443 1.460 20 0 EDADLP CC1(C)CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1CCO ZINC000682006969 487279110 /nfs/dbraw/zinc/27/91/10/487279110.db2.gz RORZDIMUZQZBLD-UHFFFAOYSA-N 2 2 342.443 1.460 20 0 EDADLP c1[nH+]cn(Cc2ccccc2)c1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000682085907 487299845 /nfs/dbraw/zinc/29/98/45/487299845.db2.gz VZZMGTIOBUCDHN-GOSISDBHSA-N 2 2 326.444 1.838 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000674878015 487344046 /nfs/dbraw/zinc/34/40/46/487344046.db2.gz AHBDEAXYBVDUMR-UHFFFAOYSA-N 2 2 338.521 1.567 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000675193218 487387379 /nfs/dbraw/zinc/38/73/79/487387379.db2.gz FUYKGCQUHXVTTR-GOSISDBHSA-N 2 2 345.491 1.783 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000679165732 487396577 /nfs/dbraw/zinc/39/65/77/487396577.db2.gz PMMBSQBJJTYCHG-DOTOQJQBSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000679165732 487396579 /nfs/dbraw/zinc/39/65/79/487396579.db2.gz PMMBSQBJJTYCHG-DOTOQJQBSA-N 2 2 340.512 1.611 20 0 EDADLP CCOc1nc(C)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682900792 487428146 /nfs/dbraw/zinc/42/81/46/487428146.db2.gz XQWRANBDUYNLME-HNNXBMFYSA-N 2 2 346.475 1.687 20 0 EDADLP CCOc1nc(C)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682900792 487428148 /nfs/dbraw/zinc/42/81/48/487428148.db2.gz XQWRANBDUYNLME-HNNXBMFYSA-N 2 2 346.475 1.687 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000675651753 487432423 /nfs/dbraw/zinc/43/24/23/487432423.db2.gz SYSVUKSLGKMCHN-OLZOCXBDSA-N 2 2 330.423 1.642 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000675651753 487432424 /nfs/dbraw/zinc/43/24/24/487432424.db2.gz SYSVUKSLGKMCHN-OLZOCXBDSA-N 2 2 330.423 1.642 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000675745553 487440611 /nfs/dbraw/zinc/44/06/11/487440611.db2.gz RLOQVIVDEUKWCI-RDJZCZTQSA-N 2 2 339.505 1.521 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000675745553 487440614 /nfs/dbraw/zinc/44/06/14/487440614.db2.gz RLOQVIVDEUKWCI-RDJZCZTQSA-N 2 2 339.505 1.521 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000675745552 487440683 /nfs/dbraw/zinc/44/06/83/487440683.db2.gz RLOQVIVDEUKWCI-NVXWUHKLSA-N 2 2 339.505 1.521 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000675745552 487440686 /nfs/dbraw/zinc/44/06/86/487440686.db2.gz RLOQVIVDEUKWCI-NVXWUHKLSA-N 2 2 339.505 1.521 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000675794646 487444430 /nfs/dbraw/zinc/44/44/30/487444430.db2.gz FBQWZSNZKUIJNJ-SFHVURJKSA-N 4 2 345.535 1.914 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCC(=O)c1ccccc1 ZINC000679671649 487456067 /nfs/dbraw/zinc/45/60/67/487456067.db2.gz UFOFKIPNLNSRQJ-QGZVFWFLSA-N 2 2 340.427 1.909 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCC(=O)c1ccccc1 ZINC000679671649 487456069 /nfs/dbraw/zinc/45/60/69/487456069.db2.gz UFOFKIPNLNSRQJ-QGZVFWFLSA-N 2 2 340.427 1.909 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000676047417 487468545 /nfs/dbraw/zinc/46/85/45/487468545.db2.gz JLKFNTXQRWPTAF-UHFFFAOYSA-N 2 2 327.432 1.930 20 0 EDADLP COc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(Cl)c1 ZINC000669532078 485508440 /nfs/dbraw/zinc/50/84/40/485508440.db2.gz AFULAOSZSGTUCL-ZDUSSCGKSA-N 2 2 340.855 1.175 20 0 EDADLP COc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(Cl)c1 ZINC000669532078 485508448 /nfs/dbraw/zinc/50/84/48/485508448.db2.gz AFULAOSZSGTUCL-ZDUSSCGKSA-N 2 2 340.855 1.175 20 0 EDADLP [NH3+]C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000669542940 485528724 /nfs/dbraw/zinc/52/87/24/485528724.db2.gz UODCACADLWIYGU-CVEARBPZSA-N 2 2 331.464 1.867 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1=O ZINC000668283470 485566402 /nfs/dbraw/zinc/56/64/02/485566402.db2.gz QZFBZPIRSMVJHP-SFHVURJKSA-N 2 2 347.459 1.060 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1=O ZINC000668283470 485566405 /nfs/dbraw/zinc/56/64/05/485566405.db2.gz QZFBZPIRSMVJHP-SFHVURJKSA-N 2 2 347.459 1.060 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000669576407 485619281 /nfs/dbraw/zinc/61/92/81/485619281.db2.gz FEEXBYZPIROPER-AYOQOUSVSA-N 2 2 338.455 1.980 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000669576407 485619289 /nfs/dbraw/zinc/61/92/89/485619289.db2.gz FEEXBYZPIROPER-AYOQOUSVSA-N 2 2 338.455 1.980 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000344669889 485948790 /nfs/dbraw/zinc/94/87/90/485948790.db2.gz SZAWMAIQFWTGGY-BBWFWOEESA-N 2 2 346.475 1.863 20 0 EDADLP COCCCOCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616970 485954039 /nfs/dbraw/zinc/95/40/39/485954039.db2.gz IOJOUBOFSHFIPF-KRWDZBQOSA-N 2 2 341.496 1.057 20 0 EDADLP COCCCOCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616970 485954044 /nfs/dbraw/zinc/95/40/44/485954044.db2.gz IOJOUBOFSHFIPF-KRWDZBQOSA-N 2 2 341.496 1.057 20 0 EDADLP Cn1ncc(C2CCC2)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668639219 485981322 /nfs/dbraw/zinc/98/13/22/485981322.db2.gz GEEHWAQTACXVPL-OAHLLOKOSA-N 2 2 345.491 1.586 20 0 EDADLP Cn1ncc(C2CCC2)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668639219 485981329 /nfs/dbraw/zinc/98/13/29/485981329.db2.gz GEEHWAQTACXVPL-OAHLLOKOSA-N 2 2 345.491 1.586 20 0 EDADLP CCc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000668639913 485982906 /nfs/dbraw/zinc/98/29/06/485982906.db2.gz NRMYBPFRHZSRFN-QGZVFWFLSA-N 2 2 330.476 1.471 20 0 EDADLP CCc1ccc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000668639913 485982916 /nfs/dbraw/zinc/98/29/16/485982916.db2.gz NRMYBPFRHZSRFN-QGZVFWFLSA-N 2 2 330.476 1.471 20 0 EDADLP Cc1csc([C@H](C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640469 485983655 /nfs/dbraw/zinc/98/36/55/485983655.db2.gz RWAHRUIZIZNVHO-ZIAGYGMSSA-N 2 2 336.505 1.840 20 0 EDADLP Cc1csc([C@H](C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640469 485983659 /nfs/dbraw/zinc/98/36/59/485983659.db2.gz RWAHRUIZIZNVHO-ZIAGYGMSSA-N 2 2 336.505 1.840 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1)C(C)C ZINC000115549044 486029047 /nfs/dbraw/zinc/02/90/47/486029047.db2.gz FUZUOXCYUGAGNT-INIZCTEOSA-N 2 2 327.513 1.799 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1)C(C)C ZINC000115549044 486029051 /nfs/dbraw/zinc/02/90/51/486029051.db2.gz FUZUOXCYUGAGNT-INIZCTEOSA-N 2 2 327.513 1.799 20 0 EDADLP CON1CCC(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000668689458 486051419 /nfs/dbraw/zinc/05/14/19/486051419.db2.gz RXHMRWCPEVVEBU-UHFFFAOYSA-N 2 2 340.512 1.134 20 0 EDADLP CON1CCC(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000668689458 486051427 /nfs/dbraw/zinc/05/14/27/486051427.db2.gz RXHMRWCPEVVEBU-UHFFFAOYSA-N 2 2 340.512 1.134 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccncc1Cl ZINC000668690151 486052606 /nfs/dbraw/zinc/05/26/06/486052606.db2.gz UKLARUVEGXKWKR-UHFFFAOYSA-N 2 2 338.883 1.762 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccncc1Cl ZINC000668690151 486052613 /nfs/dbraw/zinc/05/26/13/486052613.db2.gz UKLARUVEGXKWKR-UHFFFAOYSA-N 2 2 338.883 1.762 20 0 EDADLP CN(Cc1ccnn1CC1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668161788 486182072 /nfs/dbraw/zinc/18/20/72/486182072.db2.gz DTZNHRLZJQOZKB-GOSISDBHSA-N 2 2 331.508 1.893 20 0 EDADLP CN(Cc1ccnn1CC1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668161788 486182078 /nfs/dbraw/zinc/18/20/78/486182078.db2.gz DTZNHRLZJQOZKB-GOSISDBHSA-N 2 2 331.508 1.893 20 0 EDADLP C[N@H+](Cc1ccnn1CC1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668161788 486182087 /nfs/dbraw/zinc/18/20/87/486182087.db2.gz DTZNHRLZJQOZKB-GOSISDBHSA-N 2 2 331.508 1.893 20 0 EDADLP C[N@@H+](Cc1ccnn1CC1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668161788 486182092 /nfs/dbraw/zinc/18/20/92/486182092.db2.gz DTZNHRLZJQOZKB-GOSISDBHSA-N 2 2 331.508 1.893 20 0 EDADLP COc1ccc(C[C@H](CO)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1O ZINC000668165315 486184687 /nfs/dbraw/zinc/18/46/87/486184687.db2.gz UAHDORSQDCUIKP-AWEZNQCLSA-N 2 2 331.416 1.484 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCOCC2)c1)[NH+]1CCSCC1 ZINC000125080715 491007039 /nfs/dbraw/zinc/00/70/39/491007039.db2.gz PCZPHZSDWSEWJA-HNNXBMFYSA-N 2 2 349.500 1.895 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000073439247 491008721 /nfs/dbraw/zinc/00/87/21/491008721.db2.gz ULTFJVCQTDTNQH-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000073439247 491008722 /nfs/dbraw/zinc/00/87/22/491008722.db2.gz ULTFJVCQTDTNQH-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000073439247 491008724 /nfs/dbraw/zinc/00/87/24/491008724.db2.gz ULTFJVCQTDTNQH-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000073439247 491008725 /nfs/dbraw/zinc/00/87/25/491008725.db2.gz ULTFJVCQTDTNQH-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP COc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000682052239 491012070 /nfs/dbraw/zinc/01/20/70/491012070.db2.gz UIKWIOAXIMTNLP-UHFFFAOYSA-N 2 2 347.463 1.770 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000189886945 518183915 /nfs/dbraw/zinc/18/39/15/518183915.db2.gz MLAYCQIUMVDESS-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)CCC(F)(F)F ZINC000357170970 521068889 /nfs/dbraw/zinc/06/88/89/521068889.db2.gz IBRYWEZIIIJLBP-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)CCC(F)(F)F ZINC000357170970 521068902 /nfs/dbraw/zinc/06/89/02/521068902.db2.gz IBRYWEZIIIJLBP-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP CC[NH+](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)CCC(F)(F)F ZINC000357170970 521068909 /nfs/dbraw/zinc/06/89/09/521068909.db2.gz IBRYWEZIIIJLBP-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP CC[NH+](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)CCC(F)(F)F ZINC000357170970 521068914 /nfs/dbraw/zinc/06/89/14/521068914.db2.gz IBRYWEZIIIJLBP-GFCCVEGCSA-N 2 2 325.375 1.098 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000171317882 534675400 /nfs/dbraw/zinc/67/54/00/534675400.db2.gz NSYOJPDWTYFYJL-HNNXBMFYSA-N 2 2 343.475 1.344 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1(C)C ZINC000187168312 528157909 /nfs/dbraw/zinc/15/79/09/528157909.db2.gz IVMWJTWNTPOZNR-KXBFYZLASA-N 2 2 346.475 1.831 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000166195789 528550893 /nfs/dbraw/zinc/55/08/93/528550893.db2.gz NHFUVJKTOGTWLG-KRWDZBQOSA-N 2 2 349.475 1.387 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000171860927 528739004 /nfs/dbraw/zinc/73/90/04/528739004.db2.gz BSYFWHQXUVSDAD-UHFFFAOYSA-N 2 2 330.432 1.525 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000166191753 528964425 /nfs/dbraw/zinc/96/44/25/528964425.db2.gz WPIMGQZOGNVAKH-MRXNPFEDSA-N 2 2 335.448 1.141 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000271652915 534952938 /nfs/dbraw/zinc/95/29/38/534952938.db2.gz WFXWUKJAKOYAGK-CQSZACIVSA-N 2 2 343.431 1.429 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000271652915 534952946 /nfs/dbraw/zinc/95/29/46/534952946.db2.gz WFXWUKJAKOYAGK-CQSZACIVSA-N 2 2 343.431 1.429 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000331904291 535361151 /nfs/dbraw/zinc/36/11/51/535361151.db2.gz WSDMGUYLZRTPAF-DOTOQJQBSA-N 2 2 346.475 1.797 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000340042537 535565366 /nfs/dbraw/zinc/56/53/66/535565366.db2.gz SWKLVBHQEPLWGS-MRXNPFEDSA-N 2 2 345.484 1.690 20 0 EDADLP CCOC(=O)[C@H](CC)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000072630427 535645176 /nfs/dbraw/zinc/64/51/76/535645176.db2.gz MNFQRSKDDIEPTK-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1O ZINC000270887937 535845608 /nfs/dbraw/zinc/84/56/08/535845608.db2.gz KYFLVPOIQKUZTP-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1O ZINC000270887937 535845613 /nfs/dbraw/zinc/84/56/13/535845613.db2.gz KYFLVPOIQKUZTP-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)CCn3cc[nH+]c3)CCCC2)no1 ZINC000349215076 536061642 /nfs/dbraw/zinc/06/16/42/536061642.db2.gz PQYWZRRPUHGWAP-UHFFFAOYSA-N 2 2 332.408 1.304 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C)C1CCOCC1 ZINC000333800102 536124349 /nfs/dbraw/zinc/12/43/49/536124349.db2.gz NYWNJUKZKAIISG-SQWLQELKSA-N 2 2 349.479 1.763 20 0 EDADLP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261942947 536156450 /nfs/dbraw/zinc/15/64/50/536156450.db2.gz MYUPPVQUXQEMBE-QGZVFWFLSA-N 2 2 331.460 1.654 20 0 EDADLP CCc1cc(OC)ccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261942947 536156451 /nfs/dbraw/zinc/15/64/51/536156451.db2.gz MYUPPVQUXQEMBE-QGZVFWFLSA-N 2 2 331.460 1.654 20 0 EDADLP CN(CC[NH+]1CCCC1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000353444649 536370872 /nfs/dbraw/zinc/37/08/72/536370872.db2.gz VBEBSJVCALOJMW-UHFFFAOYSA-N 2 2 333.358 1.683 20 0 EDADLP C[NH2+][C@H](C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)c1cnn(C)c1 ZINC000262457205 536383106 /nfs/dbraw/zinc/38/31/06/536383106.db2.gz WPQRHESGSUQVOL-WBVHZDCISA-N 2 2 345.447 1.108 20 0 EDADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263245788 536433213 /nfs/dbraw/zinc/43/32/13/536433213.db2.gz PGRDORDMSTUJSY-HOTGVXAUSA-N 2 2 337.414 1.964 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263245788 536433215 /nfs/dbraw/zinc/43/32/15/536433215.db2.gz PGRDORDMSTUJSY-HOTGVXAUSA-N 2 2 337.414 1.964 20 0 EDADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263245790 536449507 /nfs/dbraw/zinc/44/95/07/536449507.db2.gz PGRDORDMSTUJSY-HZPDHXFCSA-N 2 2 337.414 1.964 20 0 EDADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263245790 536449509 /nfs/dbraw/zinc/44/95/09/536449509.db2.gz PGRDORDMSTUJSY-HZPDHXFCSA-N 2 2 337.414 1.964 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347195915 536793986 /nfs/dbraw/zinc/79/39/86/536793986.db2.gz AABDPBKBBKMFNK-UHFFFAOYSA-N 2 2 349.475 1.217 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347195915 536793991 /nfs/dbraw/zinc/79/39/91/536793991.db2.gz AABDPBKBBKMFNK-UHFFFAOYSA-N 2 2 349.475 1.217 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000741784487 579428096 /nfs/dbraw/zinc/42/80/96/579428096.db2.gz GCNWATANOFJJEA-CMKODMSKSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000741784487 579428097 /nfs/dbraw/zinc/42/80/97/579428097.db2.gz GCNWATANOFJJEA-CMKODMSKSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccccc1[C@H](O)C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000741784487 579428099 /nfs/dbraw/zinc/42/80/99/579428099.db2.gz GCNWATANOFJJEA-CMKODMSKSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccccc1[C@H](O)C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000741784487 579428100 /nfs/dbraw/zinc/42/81/00/579428100.db2.gz GCNWATANOFJJEA-CMKODMSKSA-N 2 2 347.503 1.365 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@@H]1c1ccccc1 ZINC000743395439 579478965 /nfs/dbraw/zinc/47/89/65/579478965.db2.gz RWFNGHVENUOLFY-ZBFHGGJFSA-N 2 2 342.443 1.653 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@@H]1c1ccccc1 ZINC000743395439 579478966 /nfs/dbraw/zinc/47/89/66/579478966.db2.gz RWFNGHVENUOLFY-ZBFHGGJFSA-N 2 2 342.443 1.653 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)CCO1 ZINC000726255535 578338832 /nfs/dbraw/zinc/33/88/32/578338832.db2.gz KWSBRPPKWDPPRI-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)CCO1 ZINC000726255535 578338834 /nfs/dbraw/zinc/33/88/34/578338834.db2.gz KWSBRPPKWDPPRI-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000726255535 578338835 /nfs/dbraw/zinc/33/88/35/578338835.db2.gz KWSBRPPKWDPPRI-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000726255535 578338837 /nfs/dbraw/zinc/33/88/37/578338837.db2.gz KWSBRPPKWDPPRI-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1C ZINC000726257917 578339893 /nfs/dbraw/zinc/33/98/93/578339893.db2.gz QOXHRGRYULAIRG-ZDUSSCGKSA-N 2 2 336.436 1.227 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1C ZINC000726257917 578339895 /nfs/dbraw/zinc/33/98/95/578339895.db2.gz QOXHRGRYULAIRG-ZDUSSCGKSA-N 2 2 336.436 1.227 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000727066841 578512849 /nfs/dbraw/zinc/51/28/49/578512849.db2.gz PQEFTOICICDGHN-UHFFFAOYSA-N 2 2 330.542 1.149 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC000727861741 578540139 /nfs/dbraw/zinc/54/01/39/578540139.db2.gz JQZVBCZZUHXSOT-UHFFFAOYSA-N 2 2 335.496 1.506 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729500063 578578427 /nfs/dbraw/zinc/57/84/27/578578427.db2.gz RPXRXBOSNUWYHV-QZTJIDSGSA-N 2 2 344.459 1.165 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729500063 578578429 /nfs/dbraw/zinc/57/84/29/578578429.db2.gz RPXRXBOSNUWYHV-QZTJIDSGSA-N 2 2 344.459 1.165 20 0 EDADLP CC1=C(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)OC1(C)C ZINC000732560419 578717849 /nfs/dbraw/zinc/71/78/49/578717849.db2.gz YYRRXPYZFSYMOR-HNNXBMFYSA-N 2 2 349.475 1.265 20 0 EDADLP CC1=C(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)OC1(C)C ZINC000732560419 578717850 /nfs/dbraw/zinc/71/78/50/578717850.db2.gz YYRRXPYZFSYMOR-HNNXBMFYSA-N 2 2 349.475 1.265 20 0 EDADLP C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000732569323 578718787 /nfs/dbraw/zinc/71/87/87/578718787.db2.gz KKETZGWRZJQBSK-AWEZNQCLSA-N 2 2 333.480 1.488 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732561755 578718918 /nfs/dbraw/zinc/71/89/18/578718918.db2.gz BJEBKEROMLPMMX-SFHVURJKSA-N 3 2 347.507 1.599 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)NCCc3ccccc3)C2)CC1 ZINC000732720540 578725587 /nfs/dbraw/zinc/72/55/87/578725587.db2.gz JLTZLUDWIASPPC-KRWDZBQOSA-N 2 2 346.544 1.862 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)NCCc3ccccc3)C2)CC1 ZINC000732720540 578725588 /nfs/dbraw/zinc/72/55/88/578725588.db2.gz JLTZLUDWIASPPC-KRWDZBQOSA-N 2 2 346.544 1.862 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000733162664 578745177 /nfs/dbraw/zinc/74/51/77/578745177.db2.gz QUKQPDSCLFJFQU-OAHLLOKOSA-N 2 2 342.447 1.023 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000737244313 579059542 /nfs/dbraw/zinc/05/95/42/579059542.db2.gz FICPWFURSUWILT-CHWSQXEVSA-N 2 2 331.424 1.400 20 0 EDADLP Cc1cc(C)n(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000747774549 579657772 /nfs/dbraw/zinc/65/77/72/579657772.db2.gz TVUZWPXWVMBZRH-UHFFFAOYSA-N 2 2 347.507 1.565 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)s1 ZINC000750033889 579749344 /nfs/dbraw/zinc/74/93/44/579749344.db2.gz YJHKAUDMXPJHTM-UHFFFAOYSA-N 2 2 349.441 1.266 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(N(C)C)[nH+]1 ZINC000750403332 579762015 /nfs/dbraw/zinc/76/20/15/579762015.db2.gz IGZPWCWEFSRXJL-HNNXBMFYSA-N 2 2 349.479 1.934 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(N(C)C)[nH+]1 ZINC000750403332 579762016 /nfs/dbraw/zinc/76/20/16/579762016.db2.gz IGZPWCWEFSRXJL-HNNXBMFYSA-N 2 2 349.479 1.934 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000759355863 580004151 /nfs/dbraw/zinc/00/41/51/580004151.db2.gz TURTVGFZTMNFJQ-NJAFHUGGSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CCO1 ZINC000759355863 580004152 /nfs/dbraw/zinc/00/41/52/580004152.db2.gz TURTVGFZTMNFJQ-NJAFHUGGSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000759355863 580004153 /nfs/dbraw/zinc/00/41/53/580004153.db2.gz TURTVGFZTMNFJQ-NJAFHUGGSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000759355863 580004154 /nfs/dbraw/zinc/00/41/54/580004154.db2.gz TURTVGFZTMNFJQ-NJAFHUGGSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cnn(-c2ccccc2)c1 ZINC000765417774 580141648 /nfs/dbraw/zinc/14/16/48/580141648.db2.gz VBSZLHNAWSUXGW-HNNXBMFYSA-N 2 2 327.432 1.297 20 0 EDADLP NS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766128537 580159895 /nfs/dbraw/zinc/15/98/95/580159895.db2.gz KLIIXQUSZPAYNU-DLBZAZTESA-N 2 2 337.489 1.261 20 0 EDADLP NS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766128537 580159896 /nfs/dbraw/zinc/15/98/96/580159896.db2.gz KLIIXQUSZPAYNU-DLBZAZTESA-N 2 2 337.489 1.261 20 0 EDADLP NS(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766128537 580159897 /nfs/dbraw/zinc/15/98/97/580159897.db2.gz KLIIXQUSZPAYNU-DLBZAZTESA-N 2 2 337.489 1.261 20 0 EDADLP NS(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766128537 580159898 /nfs/dbraw/zinc/15/98/98/580159898.db2.gz KLIIXQUSZPAYNU-DLBZAZTESA-N 2 2 337.489 1.261 20 0 EDADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000767120460 580182084 /nfs/dbraw/zinc/18/20/84/580182084.db2.gz VCVFIPLDQJYWEU-MSOLQXFVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000767120460 580182085 /nfs/dbraw/zinc/18/20/85/580182085.db2.gz VCVFIPLDQJYWEU-MSOLQXFVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1CC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000767436764 580189823 /nfs/dbraw/zinc/18/98/23/580189823.db2.gz ZCUNVQGZZFCVDV-RHSMWYFYSA-N 2 2 348.472 1.656 20 0 EDADLP C[C@@H]1CC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000767436764 580189824 /nfs/dbraw/zinc/18/98/24/580189824.db2.gz ZCUNVQGZZFCVDV-RHSMWYFYSA-N 2 2 348.472 1.656 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000767436766 580189828 /nfs/dbraw/zinc/18/98/28/580189828.db2.gz ZCWCGFRNKGEUHY-CABCVRRESA-N 2 2 329.466 1.217 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000767436766 580189829 /nfs/dbraw/zinc/18/98/29/580189829.db2.gz ZCWCGFRNKGEUHY-CABCVRRESA-N 2 2 329.466 1.217 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000769111812 580228783 /nfs/dbraw/zinc/22/87/83/580228783.db2.gz QOXISNLSKZFYGB-KRWDZBQOSA-N 2 2 349.479 1.558 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769533810 580239433 /nfs/dbraw/zinc/23/94/33/580239433.db2.gz QBSOPXFIYWEPEG-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769533810 580239434 /nfs/dbraw/zinc/23/94/34/580239434.db2.gz QBSOPXFIYWEPEG-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCC=CO3)CC2)CC1 ZINC000780363398 580519991 /nfs/dbraw/zinc/51/99/91/580519991.db2.gz PZNNAAJLXOIWEF-QGZVFWFLSA-N 2 2 336.480 1.537 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[NH+](C3CCCC3)CC2)C1 ZINC000783971639 580609532 /nfs/dbraw/zinc/60/95/32/580609532.db2.gz KFKRUPVNKKPYQP-HNNXBMFYSA-N 2 2 331.464 1.254 20 0 EDADLP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783994012 580611105 /nfs/dbraw/zinc/61/11/05/580611105.db2.gz IUDRKQPRWGMFSX-GDBMZVCRSA-N 2 2 342.447 1.573 20 0 EDADLP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783994012 580611106 /nfs/dbraw/zinc/61/11/06/580611106.db2.gz IUDRKQPRWGMFSX-GDBMZVCRSA-N 2 2 342.447 1.573 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)C[NH+]1CCC2CC1 ZINC000790361976 580767562 /nfs/dbraw/zinc/76/75/62/580767562.db2.gz IAYMCKXSUAJXSZ-FUHWJXTLSA-N 3 2 345.447 1.394 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@H](n3cc[nH+]c3)C1)C[NH+]1CCC2CC1 ZINC000790361976 580767563 /nfs/dbraw/zinc/76/75/63/580767563.db2.gz IAYMCKXSUAJXSZ-FUHWJXTLSA-N 3 2 345.447 1.394 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@H](n3ccnc3)C1)C[NH+]1CCC2CC1 ZINC000790361976 580767564 /nfs/dbraw/zinc/76/75/64/580767564.db2.gz IAYMCKXSUAJXSZ-FUHWJXTLSA-N 2 2 345.447 1.394 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@H](n3ccnc3)C1)C[NH+]1CCC2CC1 ZINC000790361976 580767565 /nfs/dbraw/zinc/76/75/65/580767565.db2.gz IAYMCKXSUAJXSZ-FUHWJXTLSA-N 2 2 345.447 1.394 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@H](OC(F)F)C1)C[NH+]1CCC2CC1 ZINC000790375358 580767939 /nfs/dbraw/zinc/76/79/39/580767939.db2.gz TXLLVNBALQXQHQ-BBRMVZONSA-N 2 2 345.390 1.564 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](c3ccccn3)C2)C1 ZINC000799156792 581019899 /nfs/dbraw/zinc/01/98/99/581019899.db2.gz YUXHQTBVABIVAZ-HUUCEWRRSA-N 2 2 325.416 1.578 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](c3ccccn3)C2)C1 ZINC000799156792 581019900 /nfs/dbraw/zinc/01/99/00/581019900.db2.gz YUXHQTBVABIVAZ-HUUCEWRRSA-N 2 2 325.416 1.578 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000892031032 590759941 /nfs/dbraw/zinc/75/99/41/590759941.db2.gz QAGTVODKIYUULI-SFHVURJKSA-N 2 2 345.491 1.108 20 0 EDADLP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C[C@H]2C1 ZINC000892309581 590933420 /nfs/dbraw/zinc/93/34/20/590933420.db2.gz DUYVIGHVITVYGN-GASCZTMLSA-N 2 2 343.406 1.714 20 0 EDADLP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C[C@H]2C1 ZINC000892309581 590933425 /nfs/dbraw/zinc/93/34/25/590933425.db2.gz DUYVIGHVITVYGN-GASCZTMLSA-N 2 2 343.406 1.714 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCc2c(C)[nH+]c3ccccn32)CC1 ZINC000892334782 590962571 /nfs/dbraw/zinc/96/25/71/590962571.db2.gz NMRQPHFBZMJDAO-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP CC[C@@H](CO)Nc1cc(NCC2([NH+]3CCCC3)CCOCC2)nc[nH+]1 ZINC000892341240 590969616 /nfs/dbraw/zinc/96/96/16/590969616.db2.gz XTUIJWXWHFYKBN-HNNXBMFYSA-N 2 2 349.479 1.716 20 0 EDADLP CC1(C)CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)[NH2+]C1 ZINC000892394109 591008516 /nfs/dbraw/zinc/00/85/16/591008516.db2.gz SMACLMLGYKSYIH-KRWDZBQOSA-N 2 2 345.491 1.687 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000891413399 591070670 /nfs/dbraw/zinc/07/06/70/591070670.db2.gz PMQSCKDKAUPPHJ-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562978 591073629 /nfs/dbraw/zinc/07/36/29/591073629.db2.gz NUDIDLYFDPGWRP-AWEZNQCLSA-N 2 2 328.420 1.551 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562978 591073632 /nfs/dbraw/zinc/07/36/32/591073632.db2.gz NUDIDLYFDPGWRP-AWEZNQCLSA-N 2 2 328.420 1.551 20 0 EDADLP COc1ccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)o1 ZINC000892582112 591080159 /nfs/dbraw/zinc/08/01/59/591080159.db2.gz CYWFPFCQEXPNTB-UHFFFAOYSA-N 2 2 343.427 1.966 20 0 EDADLP COc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)nc1 ZINC000892594414 591086424 /nfs/dbraw/zinc/08/64/24/591086424.db2.gz KTCPGQGLWQLIQF-UHFFFAOYSA-N 2 2 327.432 1.527 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)C3CC([NH3+])C3)C2)c1 ZINC000892609580 591093720 /nfs/dbraw/zinc/09/37/20/591093720.db2.gz RLZXKZJQYKNXED-ABHNRTSZSA-N 2 2 346.475 1.327 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)C3CC([NH3+])C3)C2)c1 ZINC000892609580 591093725 /nfs/dbraw/zinc/09/37/25/591093725.db2.gz RLZXKZJQYKNXED-ABHNRTSZSA-N 2 2 346.475 1.327 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C2)c1 ZINC000892609523 591093774 /nfs/dbraw/zinc/09/37/74/591093774.db2.gz QUOQRPMHVWYDDJ-DOTOQJQBSA-N 2 2 334.464 1.184 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])C2)c1 ZINC000892609523 591093778 /nfs/dbraw/zinc/09/37/78/591093778.db2.gz QUOQRPMHVWYDDJ-DOTOQJQBSA-N 2 2 334.464 1.184 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000892610485 591095098 /nfs/dbraw/zinc/09/50/98/591095098.db2.gz BYCIYALOQQILRV-MSOLQXFVSA-N 2 2 346.475 1.199 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)C1 ZINC000892610485 591095103 /nfs/dbraw/zinc/09/51/03/591095103.db2.gz BYCIYALOQQILRV-MSOLQXFVSA-N 2 2 346.475 1.199 20 0 EDADLP C[C@@H]1CC2(CC(NC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)CO1 ZINC000893866746 591120596 /nfs/dbraw/zinc/12/05/96/591120596.db2.gz LUSSTFNRBSZGLZ-KSTDHSDQSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)C[C@@H](O)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892750724 591159271 /nfs/dbraw/zinc/15/92/71/591159271.db2.gz WWAGWJNHESJBSR-MRXNPFEDSA-N 2 2 343.512 1.972 20 0 EDADLP CN(C)c1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)[nH+]cn1 ZINC000891669254 591176833 /nfs/dbraw/zinc/17/68/33/591176833.db2.gz ZBLIRXKBPSHVKN-UHFFFAOYSA-N 2 2 327.436 1.302 20 0 EDADLP CN(C)c1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)nc[nH+]1 ZINC000891669254 591176834 /nfs/dbraw/zinc/17/68/34/591176834.db2.gz ZBLIRXKBPSHVKN-UHFFFAOYSA-N 2 2 327.436 1.302 20 0 EDADLP C[C@H]1C[NH+]=C(N2CC[NH+](Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)S1 ZINC000894054091 591179505 /nfs/dbraw/zinc/17/95/05/591179505.db2.gz QZKMDBHZQCVVQW-NSHDSACASA-N 2 2 331.445 1.877 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000891705300 591193661 /nfs/dbraw/zinc/19/36/61/591193661.db2.gz PZNBECJHIWAJIK-HOTGVXAUSA-N 2 2 340.431 1.645 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000891705300 591193662 /nfs/dbraw/zinc/19/36/62/591193662.db2.gz PZNBECJHIWAJIK-HOTGVXAUSA-N 2 2 340.431 1.645 20 0 EDADLP NC(=O)C[N@@H+]1CCc2ccc(NCc3[nH+]ccn3C3CC3)cc2C1 ZINC000894113168 591198899 /nfs/dbraw/zinc/19/88/99/591198899.db2.gz NWPJTTLTOLPFRD-UHFFFAOYSA-N 2 2 325.416 1.674 20 0 EDADLP NC(=O)C[N@H+]1CCc2ccc(NCc3[nH+]ccn3C3CC3)cc2C1 ZINC000894113168 591198903 /nfs/dbraw/zinc/19/89/03/591198903.db2.gz NWPJTTLTOLPFRD-UHFFFAOYSA-N 2 2 325.416 1.674 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000892837967 591200614 /nfs/dbraw/zinc/20/06/14/591200614.db2.gz JFDUORAJMSXBBX-JYJNAYRXSA-N 2 2 328.501 1.371 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000891731044 591201906 /nfs/dbraw/zinc/20/19/06/591201906.db2.gz MZBMHFQXXFNQAJ-PDUOOLKUSA-N 2 2 338.402 1.841 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000891731044 591201908 /nfs/dbraw/zinc/20/19/08/591201908.db2.gz MZBMHFQXXFNQAJ-PDUOOLKUSA-N 2 2 338.402 1.841 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)[C@@H]2C1 ZINC000891740183 591205495 /nfs/dbraw/zinc/20/54/95/591205495.db2.gz RAAJAJGKSFWWCE-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)[C@@H]2C1 ZINC000891740183 591205499 /nfs/dbraw/zinc/20/54/99/591205499.db2.gz RAAJAJGKSFWWCE-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP Cn1ncc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1C1CC1 ZINC000896031587 591325712 /nfs/dbraw/zinc/32/57/12/591325712.db2.gz WCCFTAHOPVQKII-GOSISDBHSA-N 2 2 347.507 1.184 20 0 EDADLP CCO[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C[NH+](C)C ZINC000896117962 591349639 /nfs/dbraw/zinc/34/96/39/591349639.db2.gz PZCRNYDXWYOUSV-CABCVRRESA-N 2 2 337.468 1.064 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC([NH+]4CCCC4)C3)CC2)CC1 ZINC000898605174 591433731 /nfs/dbraw/zinc/43/37/31/591433731.db2.gz RRGQRSUAOQKCAX-UHFFFAOYSA-N 3 2 348.535 1.489 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896375480 591442806 /nfs/dbraw/zinc/44/28/06/591442806.db2.gz KPEKCGKQBZRSSO-QAPCUYQASA-N 2 2 344.459 1.008 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cn(C)c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000898619225 591443812 /nfs/dbraw/zinc/44/38/12/591443812.db2.gz HXPOBXMHKRAVMS-HNNXBMFYSA-N 2 2 327.432 1.836 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cn(C)c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000898619225 591443815 /nfs/dbraw/zinc/44/38/15/591443815.db2.gz HXPOBXMHKRAVMS-HNNXBMFYSA-N 2 2 327.432 1.836 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000894874202 591452033 /nfs/dbraw/zinc/45/20/33/591452033.db2.gz RZJVOVRJOHWANF-CQSZACIVSA-N 2 2 345.443 1.891 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000894874202 591452036 /nfs/dbraw/zinc/45/20/36/591452036.db2.gz RZJVOVRJOHWANF-CQSZACIVSA-N 2 2 345.443 1.891 20 0 EDADLP C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896530092 591485157 /nfs/dbraw/zinc/48/51/57/591485157.db2.gz HWWYHKHAKVXYPV-CRAIPNDOSA-N 2 2 341.459 1.165 20 0 EDADLP C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896530092 591485160 /nfs/dbraw/zinc/48/51/60/591485160.db2.gz HWWYHKHAKVXYPV-CRAIPNDOSA-N 2 2 341.459 1.165 20 0 EDADLP O=S1CCC([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)CC1 ZINC000898717037 591487748 /nfs/dbraw/zinc/48/77/48/591487748.db2.gz DKEMTLDRLAUYQG-GYEYZBBESA-N 2 2 332.267 1.461 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[NH+]1CCC1)c1ccc(F)c(F)c1 ZINC000898743804 591497183 /nfs/dbraw/zinc/49/71/83/591497183.db2.gz RJZAQDQGROKANK-OAHLLOKOSA-N 2 2 349.385 1.793 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCOC12CCCC2 ZINC000898754522 591512703 /nfs/dbraw/zinc/51/27/03/591512703.db2.gz UVRKOTFVMBBUIO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCOC12CCCC2 ZINC000898754522 591512707 /nfs/dbraw/zinc/51/27/07/591512707.db2.gz UVRKOTFVMBBUIO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1[C@@H](NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000896552306 591516897 /nfs/dbraw/zinc/51/68/97/591516897.db2.gz ACUJODWFMKBSSE-HOCLYGCPSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@H]1[C@@H](NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000896552306 591516900 /nfs/dbraw/zinc/51/69/00/591516900.db2.gz ACUJODWFMKBSSE-HOCLYGCPSA-N 2 2 340.512 1.658 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896554786 591519144 /nfs/dbraw/zinc/51/91/44/591519144.db2.gz HUVQKIUXVJDCMB-CXAGYDPISA-N 2 2 329.448 1.095 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896554786 591519147 /nfs/dbraw/zinc/51/91/47/591519147.db2.gz HUVQKIUXVJDCMB-CXAGYDPISA-N 2 2 329.448 1.095 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000896594260 591545356 /nfs/dbraw/zinc/54/53/56/591545356.db2.gz GYCFJGVQXHAIOG-ZIAGYGMSSA-N 2 2 337.493 1.583 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000896594260 591545359 /nfs/dbraw/zinc/54/53/59/591545359.db2.gz GYCFJGVQXHAIOG-ZIAGYGMSSA-N 2 2 337.493 1.583 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000898893068 591588316 /nfs/dbraw/zinc/58/83/16/591588316.db2.gz YFQBBFREQSGDCH-QGZVFWFLSA-N 2 2 342.443 1.869 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCSC1 ZINC000896835666 591626279 /nfs/dbraw/zinc/62/62/79/591626279.db2.gz ROXBLHPZSKDUPC-GDBMZVCRSA-N 2 2 337.493 1.344 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CCSC1 ZINC000896835666 591626286 /nfs/dbraw/zinc/62/62/86/591626286.db2.gz ROXBLHPZSKDUPC-GDBMZVCRSA-N 2 2 337.493 1.344 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CCSC1 ZINC000896835666 591626289 /nfs/dbraw/zinc/62/62/89/591626289.db2.gz ROXBLHPZSKDUPC-GDBMZVCRSA-N 2 2 337.493 1.344 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000899027456 591641292 /nfs/dbraw/zinc/64/12/92/591641292.db2.gz YAEGUYMIULXAFC-ARFHVFGLSA-N 2 2 344.459 1.236 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000899027456 591641296 /nfs/dbraw/zinc/64/12/96/591641296.db2.gz YAEGUYMIULXAFC-ARFHVFGLSA-N 2 2 344.459 1.236 20 0 EDADLP CN(C(=O)C[C@H]1CC(C)(C)CO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989499 591706590 /nfs/dbraw/zinc/70/65/90/591706590.db2.gz UDYHQYKUGSRCIL-SJORKVTESA-N 2 2 337.508 1.819 20 0 EDADLP CN(C(=O)C[C@H]1CC(C)(C)CO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989499 591706593 /nfs/dbraw/zinc/70/65/93/591706593.db2.gz UDYHQYKUGSRCIL-SJORKVTESA-N 2 2 337.508 1.819 20 0 EDADLP CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000895319016 591710921 /nfs/dbraw/zinc/71/09/21/591710921.db2.gz BMLSPUJJNDUGFW-KRWDZBQOSA-N 2 2 347.459 1.012 20 0 EDADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000897948931 591734083 /nfs/dbraw/zinc/73/40/83/591734083.db2.gz SJMFHLYMPPLBJR-WRWLIDTKSA-N 2 2 346.471 1.962 20 0 EDADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000897975492 591734958 /nfs/dbraw/zinc/73/49/58/591734958.db2.gz KKEVEHUEWZUYSA-APWZRJJASA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000897975492 591734960 /nfs/dbraw/zinc/73/49/60/591734960.db2.gz KKEVEHUEWZUYSA-APWZRJJASA-N 2 2 343.471 1.440 20 0 EDADLP Cn1c[nH+]cc1C[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000897978597 591747446 /nfs/dbraw/zinc/74/74/46/591747446.db2.gz QAAUUZIRQPYYHS-NSHDSACASA-N 2 2 336.193 1.231 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)Nc2nc(C[NH+](C)C)cs2)CC1 ZINC000909574581 591749151 /nfs/dbraw/zinc/74/91/51/591749151.db2.gz WNIDJCZZSIGFPW-UHFFFAOYSA-N 2 2 339.509 1.559 20 0 EDADLP Cn1nnnc1CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000898037896 591765218 /nfs/dbraw/zinc/76/52/18/591765218.db2.gz YLIYKAMLMBKBEM-MRXNPFEDSA-N 2 2 328.464 1.785 20 0 EDADLP Cn1nnnc1CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000898037896 591765220 /nfs/dbraw/zinc/76/52/20/591765220.db2.gz YLIYKAMLMBKBEM-MRXNPFEDSA-N 2 2 328.464 1.785 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCOC23CCOCC3)CC1 ZINC000898115223 591786889 /nfs/dbraw/zinc/78/68/89/591786889.db2.gz JDKOZEUSPNOSOX-INIZCTEOSA-N 2 2 340.464 1.332 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000898208057 591818873 /nfs/dbraw/zinc/81/88/73/591818873.db2.gz XLNDPVGVPFVBSZ-GJZGRUSLSA-N 2 2 334.464 1.622 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023585 591867269 /nfs/dbraw/zinc/86/72/69/591867269.db2.gz PKAIZXQDXDFCNE-UHFFFAOYSA-N 2 2 331.464 1.285 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H](O)c3ccc(F)cc3)nn2)CC1 ZINC000899714801 591917693 /nfs/dbraw/zinc/91/76/93/591917693.db2.gz YGPRKPDOMFMGFO-KRWDZBQOSA-N 2 2 333.411 1.335 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902333475 591979884 /nfs/dbraw/zinc/97/98/84/591979884.db2.gz MNGQVRPSJMXKGX-BRWVUGGUSA-N 2 2 346.475 1.895 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902333475 591979886 /nfs/dbraw/zinc/97/98/86/591979886.db2.gz MNGQVRPSJMXKGX-BRWVUGGUSA-N 2 2 346.475 1.895 20 0 EDADLP COc1cc(OC)cc([C@H](N[C@H](C)C2([NH3+])CC2)c2[nH+]ccn2C)c1 ZINC000902337065 591980636 /nfs/dbraw/zinc/98/06/36/591980636.db2.gz YETMUBJFKJWTFH-WBMJQRKESA-N 2 2 330.432 1.996 20 0 EDADLP C[C@H]1C[N@H+](CN2C[C@@]3(CCCOC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000902370657 591981982 /nfs/dbraw/zinc/98/19/82/591981982.db2.gz MLTPKGHKIGKCKI-MAUKXSAKSA-N 2 2 330.432 1.189 20 0 EDADLP C[C@H]1C[N@@H+](CN2C[C@@]3(CCCOC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000902370657 591981986 /nfs/dbraw/zinc/98/19/86/591981986.db2.gz MLTPKGHKIGKCKI-MAUKXSAKSA-N 2 2 330.432 1.189 20 0 EDADLP Cc1cc(OCc2ccccc2)nc(N2CC[NH2+]CC[NH2+]CC2)n1 ZINC000900368301 591998454 /nfs/dbraw/zinc/99/84/54/591998454.db2.gz AXMMIXJNIGVGHL-UHFFFAOYSA-N 2 2 327.432 1.363 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)[C@@H]1CCCC[NH2+]1 ZINC000902513759 592002788 /nfs/dbraw/zinc/00/27/88/592002788.db2.gz IADDGIKJONAMFK-CJNGLKHVSA-N 2 2 325.478 1.703 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000900437738 592018148 /nfs/dbraw/zinc/01/81/48/592018148.db2.gz XUKDTZRXUGTRPW-SJLPKXTDSA-N 2 2 349.500 1.629 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000900437738 592018149 /nfs/dbraw/zinc/01/81/49/592018149.db2.gz XUKDTZRXUGTRPW-SJLPKXTDSA-N 2 2 349.500 1.629 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC(F)(F)C(F)F)CC2)CC1 ZINC000900444924 592028556 /nfs/dbraw/zinc/02/85/56/592028556.db2.gz CMFWXCVWBIJRBZ-UHFFFAOYSA-N 2 2 339.377 1.952 20 0 EDADLP COCC[N@H+](C)CCNC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000900517175 592043200 /nfs/dbraw/zinc/04/32/00/592043200.db2.gz JCQWIFSGVVXTPN-UHFFFAOYSA-N 2 2 345.447 1.340 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000900517175 592043203 /nfs/dbraw/zinc/04/32/03/592043203.db2.gz JCQWIFSGVVXTPN-UHFFFAOYSA-N 2 2 345.447 1.340 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cn(C)nn1 ZINC000902720299 592052022 /nfs/dbraw/zinc/05/20/22/592052022.db2.gz FSXZKGYIMVJYKP-HIFRSBDPSA-N 2 2 334.493 1.516 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000900562276 592053076 /nfs/dbraw/zinc/05/30/76/592053076.db2.gz MHLZBVFSVPCAKX-CVEARBPZSA-N 2 2 348.447 1.322 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000900562276 592053077 /nfs/dbraw/zinc/05/30/77/592053077.db2.gz MHLZBVFSVPCAKX-CVEARBPZSA-N 2 2 348.447 1.322 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c1)[NH+]1CCOCC1 ZINC000900577404 592057072 /nfs/dbraw/zinc/05/70/72/592057072.db2.gz SOOYWFMXHFQWFR-LJHODMEESA-N 2 2 347.459 1.473 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c1)[NH+]1CCOCC1 ZINC000900577404 592057075 /nfs/dbraw/zinc/05/70/75/592057075.db2.gz SOOYWFMXHFQWFR-LJHODMEESA-N 2 2 347.459 1.473 20 0 EDADLP C[C@H](c1ccccc1)[C@@H](O)Cn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1 ZINC000900583918 592069876 /nfs/dbraw/zinc/06/98/76/592069876.db2.gz XPMUEPNUNDNUSF-BEFAXECRSA-N 2 2 343.475 1.627 20 0 EDADLP CNc1nc(C)ccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900692870 592096880 /nfs/dbraw/zinc/09/68/80/592096880.db2.gz KVGRWWZTOOLMBQ-UHFFFAOYSA-N 2 2 333.480 1.530 20 0 EDADLP CNc1nc(C)ccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900692870 592096881 /nfs/dbraw/zinc/09/68/81/592096881.db2.gz KVGRWWZTOOLMBQ-UHFFFAOYSA-N 2 2 333.480 1.530 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900724805 592105606 /nfs/dbraw/zinc/10/56/06/592105606.db2.gz RWXSVOADMYHITF-APWZRJJASA-N 2 2 346.475 1.134 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900724805 592105608 /nfs/dbraw/zinc/10/56/08/592105608.db2.gz RWXSVOADMYHITF-APWZRJJASA-N 2 2 346.475 1.134 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903088544 592117964 /nfs/dbraw/zinc/11/79/64/592117964.db2.gz KXLRIJHMAAMECK-UHBLESBASA-N 2 2 349.519 1.186 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCO[C@@]23CCOC3)CCC[N@@H+]1C ZINC000903167490 592132538 /nfs/dbraw/zinc/13/25/38/592132538.db2.gz ZFQIXCXTVVAFTC-DZJNRPSUSA-N 2 2 334.464 1.341 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCO[C@@]23CCOC3)CCC[N@H+]1C ZINC000903167490 592132539 /nfs/dbraw/zinc/13/25/39/592132539.db2.gz ZFQIXCXTVVAFTC-DZJNRPSUSA-N 2 2 334.464 1.341 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)C[C@@H]3C[NH2+]C[C@H]3C)C2=O)c1 ZINC000903439027 592170075 /nfs/dbraw/zinc/17/00/75/592170075.db2.gz BPBFZFPUSXQCJW-GLJUWKHASA-N 2 2 347.459 1.596 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)C[C@@H]3C[NH2+]C[C@H]3C)C2=O)c1 ZINC000903439027 592170077 /nfs/dbraw/zinc/17/00/77/592170077.db2.gz BPBFZFPUSXQCJW-GLJUWKHASA-N 2 2 347.459 1.596 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000903469409 592175316 /nfs/dbraw/zinc/17/53/16/592175316.db2.gz UQTGRMUJOALHOE-IRXDYDNUSA-N 2 2 347.434 1.600 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)NCCN1CCc2ccccc21 ZINC000903470914 592175608 /nfs/dbraw/zinc/17/56/08/592175608.db2.gz PNJIZQCGIQYZFJ-QGZVFWFLSA-N 2 2 328.460 1.040 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000903564545 592211746 /nfs/dbraw/zinc/21/17/46/592211746.db2.gz ZBHHSMMYSXJYRN-IZZDOVSWSA-N 2 2 343.880 1.653 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)c2csc3ccccc32)CC1 ZINC000903565738 592212828 /nfs/dbraw/zinc/21/28/28/592212828.db2.gz PATHXVGMFJSWNT-UHFFFAOYSA-N 2 2 339.486 1.603 20 0 EDADLP COc1c(C)cc(C)cc1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565808 592212862 /nfs/dbraw/zinc/21/28/62/592212862.db2.gz QZBNIXAPNYNLEM-UHFFFAOYSA-N 2 2 341.477 1.013 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC3CC[NH+](CC[NH3+])CC3)c(C)c2)CC1 ZINC000904358860 592238914 /nfs/dbraw/zinc/23/89/14/592238914.db2.gz UBBSEWQEVSLIDM-UHFFFAOYSA-N 3 2 345.535 1.972 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000904384756 592248531 /nfs/dbraw/zinc/24/85/31/592248531.db2.gz NEPLOLZPCMXHIA-KSSFIOAISA-N 2 2 345.447 1.572 20 0 EDADLP CC[NH+](CC)CCCCNC(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000906674243 592254536 /nfs/dbraw/zinc/25/45/36/592254536.db2.gz UTTPJERXWBEDDU-AWEZNQCLSA-N 2 2 338.452 1.093 20 0 EDADLP CC[NH+](CC)CCCCNC(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000906674243 592254539 /nfs/dbraw/zinc/25/45/39/592254539.db2.gz UTTPJERXWBEDDU-AWEZNQCLSA-N 2 2 338.452 1.093 20 0 EDADLP C[C@@H]1c2c[nH]nc2CC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000906677462 592258842 /nfs/dbraw/zinc/25/88/42/592258842.db2.gz MIOBMZPQRKAMPV-GOEBONIOSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@@H]1c2c[nH]nc2CC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000906677462 592258848 /nfs/dbraw/zinc/25/88/48/592258848.db2.gz MIOBMZPQRKAMPV-GOEBONIOSA-N 2 2 347.507 1.560 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906679194 592260287 /nfs/dbraw/zinc/26/02/87/592260287.db2.gz DVLROBVWUADKDC-KRWDZBQOSA-N 2 2 338.411 1.387 20 0 EDADLP O=C(NCc1nc(C[NH+]2CCCCC2)no1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908009082 592260490 /nfs/dbraw/zinc/26/04/90/592260490.db2.gz CZWCZNPTTRTNEX-LSDHHAIUSA-N 2 2 347.463 1.689 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000906661231 592269721 /nfs/dbraw/zinc/26/97/21/592269721.db2.gz QFIYTYNYDRJWJP-INIZCTEOSA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000906661231 592269724 /nfs/dbraw/zinc/26/97/24/592269724.db2.gz QFIYTYNYDRJWJP-INIZCTEOSA-N 3 2 336.524 1.536 20 0 EDADLP Cc1cc(C)c(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000906661153 592269974 /nfs/dbraw/zinc/26/99/74/592269974.db2.gz NTNPSTSICHVUED-OAHLLOKOSA-N 2 2 346.475 1.231 20 0 EDADLP Cc1cc(C)c(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000906661153 592269976 /nfs/dbraw/zinc/26/99/76/592269976.db2.gz NTNPSTSICHVUED-OAHLLOKOSA-N 2 2 346.475 1.231 20 0 EDADLP COc1ccc(CC[C@H](C)[N@H+]2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)cc1O ZINC000904484590 592270416 /nfs/dbraw/zinc/27/04/16/592270416.db2.gz GZPHPQZSLOORFE-NUEKZKHPSA-N 2 2 344.459 1.882 20 0 EDADLP COc1ccc(CC[C@H](C)[N@@H+]2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)cc1O ZINC000904484590 592270420 /nfs/dbraw/zinc/27/04/20/592270420.db2.gz GZPHPQZSLOORFE-NUEKZKHPSA-N 2 2 344.459 1.882 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903737711 592300451 /nfs/dbraw/zinc/30/04/51/592300451.db2.gz VJMFMKQURPYRSG-IRXDYDNUSA-N 2 2 336.524 1.441 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903737711 592300456 /nfs/dbraw/zinc/30/04/56/592300456.db2.gz VJMFMKQURPYRSG-IRXDYDNUSA-N 2 2 336.524 1.441 20 0 EDADLP Cn1cc([C@@]2(C)C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cn1 ZINC000903741378 592302843 /nfs/dbraw/zinc/30/28/43/592302843.db2.gz OZTHBDBGYDATDR-DLBZAZTESA-N 2 2 334.464 1.126 20 0 EDADLP Cn1cc([C@@]2(C)C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cn1 ZINC000903741378 592302847 /nfs/dbraw/zinc/30/28/47/592302847.db2.gz OZTHBDBGYDATDR-DLBZAZTESA-N 2 2 334.464 1.126 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000901275628 592310552 /nfs/dbraw/zinc/31/05/52/592310552.db2.gz ZWBRNFJSFPHXOT-YOEHRIQHSA-N 2 2 345.491 1.530 20 0 EDADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000901278439 592311314 /nfs/dbraw/zinc/31/13/14/592311314.db2.gz BJHVMXJDOTZBIT-QGZVFWFLSA-N 2 2 328.416 1.914 20 0 EDADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000901278439 592311319 /nfs/dbraw/zinc/31/13/19/592311319.db2.gz BJHVMXJDOTZBIT-QGZVFWFLSA-N 2 2 328.416 1.914 20 0 EDADLP Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756647 592313418 /nfs/dbraw/zinc/31/34/18/592313418.db2.gz UWPPBARORREWJG-HZPDHXFCSA-N 2 2 334.464 1.559 20 0 EDADLP Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756647 592313423 /nfs/dbraw/zinc/31/34/23/592313423.db2.gz UWPPBARORREWJG-HZPDHXFCSA-N 2 2 334.464 1.559 20 0 EDADLP Cc1nc(C2([NH2+]C[C@H](C[NH3+])Cc3cnn(C)c3C)CCCC2)no1 ZINC000903897797 592367834 /nfs/dbraw/zinc/36/78/34/592367834.db2.gz GLBCTWBDYMEUHS-AWEZNQCLSA-N 2 2 332.452 1.596 20 0 EDADLP Cc1ccc(N2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000903905754 592372623 /nfs/dbraw/zinc/37/26/23/592372623.db2.gz NFBRGXCLSSNKNZ-GOSISDBHSA-N 2 2 340.475 1.833 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cnn1C ZINC000903909221 592373887 /nfs/dbraw/zinc/37/38/87/592373887.db2.gz RWSOWKVHLNSHHE-OAHLLOKOSA-N 2 2 347.507 1.179 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cnn1C ZINC000903909221 592373893 /nfs/dbraw/zinc/37/38/93/592373893.db2.gz RWSOWKVHLNSHHE-OAHLLOKOSA-N 2 2 347.507 1.179 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000903937726 592387088 /nfs/dbraw/zinc/38/70/88/592387088.db2.gz QITCESZUUWZYBR-UHFFFAOYSA-N 2 2 342.487 1.960 20 0 EDADLP Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903915779 592389391 /nfs/dbraw/zinc/38/93/91/592389391.db2.gz BXCYBBRSJQLNET-YOEHRIQHSA-N 2 2 329.452 1.663 20 0 EDADLP Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903915779 592389396 /nfs/dbraw/zinc/38/93/96/592389396.db2.gz BXCYBBRSJQLNET-YOEHRIQHSA-N 2 2 329.452 1.663 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccc2cc[nH]c2c1 ZINC000905076560 592404374 /nfs/dbraw/zinc/40/43/74/592404374.db2.gz QGCONVZNWHATSP-JZXOWHBKSA-N 2 2 345.443 1.360 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccc2cc[nH]c2c1 ZINC000905076560 592404378 /nfs/dbraw/zinc/40/43/78/592404378.db2.gz QGCONVZNWHATSP-JZXOWHBKSA-N 2 2 345.443 1.360 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c(C)[nH+]1 ZINC000905437979 592534122 /nfs/dbraw/zinc/53/41/22/592534122.db2.gz CJXJMFDFRFMGTN-UHFFFAOYSA-N 2 2 330.476 1.860 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3CC(CC(N)=O)C3)c2cc1C ZINC000905534169 592554815 /nfs/dbraw/zinc/55/48/15/592554815.db2.gz OJKYUZNNWXXSJP-YMAMQOFZSA-N 2 2 330.432 1.258 20 0 EDADLP CN1CC[N@H+](C)CC(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000907312615 592581120 /nfs/dbraw/zinc/58/11/20/592581120.db2.gz BBFJZEKXAURPCC-UHFFFAOYSA-N 2 2 347.507 1.395 20 0 EDADLP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)Nc1cccc(F)c1 ZINC000905620785 592587722 /nfs/dbraw/zinc/58/77/22/592587722.db2.gz XEJLJBHABDTEAV-QGZVFWFLSA-N 2 2 335.423 1.997 20 0 EDADLP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)Nc1cccc(F)c1 ZINC000905620785 592587723 /nfs/dbraw/zinc/58/77/23/592587723.db2.gz XEJLJBHABDTEAV-QGZVFWFLSA-N 2 2 335.423 1.997 20 0 EDADLP Cc1nc(NCC(=O)N2CC[NH2+]CC2)cc(Nc2ccccc2)[nH+]1 ZINC000905622463 592588840 /nfs/dbraw/zinc/58/88/40/592588840.db2.gz JTJKFGQLCJWBDC-UHFFFAOYSA-N 2 2 326.404 1.372 20 0 EDADLP Cc1nc(Nc2ccccc2)cc(NCC(=O)N2CC[NH2+]CC2)[nH+]1 ZINC000905622463 592588842 /nfs/dbraw/zinc/58/88/42/592588842.db2.gz JTJKFGQLCJWBDC-UHFFFAOYSA-N 2 2 326.404 1.372 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000907353444 592607590 /nfs/dbraw/zinc/60/75/90/592607590.db2.gz ZYWUWUCQQBMTKP-MRXNPFEDSA-N 2 2 337.468 1.265 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000907353444 592607593 /nfs/dbraw/zinc/60/75/93/592607593.db2.gz ZYWUWUCQQBMTKP-MRXNPFEDSA-N 2 2 337.468 1.265 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000907353444 592607596 /nfs/dbraw/zinc/60/75/96/592607596.db2.gz ZYWUWUCQQBMTKP-MRXNPFEDSA-N 2 2 337.468 1.265 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000907353444 592607600 /nfs/dbraw/zinc/60/76/00/592607600.db2.gz ZYWUWUCQQBMTKP-MRXNPFEDSA-N 2 2 337.468 1.265 20 0 EDADLP Nc1[nH+]cnc(NCc2ccc(CN3CC[NH2+]CC3)cc2)c1Cl ZINC000905704908 592617119 /nfs/dbraw/zinc/61/71/19/592617119.db2.gz SMQKUVDYIXWLGB-UHFFFAOYSA-N 2 2 332.839 1.730 20 0 EDADLP CC[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000905908080 592676968 /nfs/dbraw/zinc/67/69/68/592676968.db2.gz YSROFUZYNIFBDX-AABGKKOBSA-N 2 2 348.487 1.315 20 0 EDADLP CC[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000905908080 592676970 /nfs/dbraw/zinc/67/69/70/592676970.db2.gz YSROFUZYNIFBDX-AABGKKOBSA-N 2 2 348.487 1.315 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000907561155 592709403 /nfs/dbraw/zinc/70/94/03/592709403.db2.gz OUCWOYWNFAZUID-KRWDZBQOSA-N 2 2 347.507 1.368 20 0 EDADLP O=C(NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000909037542 592710562 /nfs/dbraw/zinc/71/05/62/592710562.db2.gz BDMNNQPVOPZHIZ-GOSISDBHSA-N 2 2 331.460 1.338 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000907689910 592758469 /nfs/dbraw/zinc/75/84/69/592758469.db2.gz SYRRFMLLJRLQJV-UHFFFAOYSA-N 2 2 328.420 1.564 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H]3CC[NH+]4CCC[C@H]4C3)co2)C1 ZINC000906242026 592769479 /nfs/dbraw/zinc/76/94/79/592769479.db2.gz ZVXGSYBDSHFQNS-ILXRZTDVSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H]3CC[NH+]4CCC[C@H]4C3)co2)C1 ZINC000906242026 592769481 /nfs/dbraw/zinc/76/94/81/592769481.db2.gz ZVXGSYBDSHFQNS-ILXRZTDVSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)co2)C1 ZINC000906242026 592769483 /nfs/dbraw/zinc/76/94/83/592769483.db2.gz ZVXGSYBDSHFQNS-ILXRZTDVSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)co2)C1 ZINC000906242026 592769485 /nfs/dbraw/zinc/76/94/85/592769485.db2.gz ZVXGSYBDSHFQNS-ILXRZTDVSA-N 2 2 348.447 1.252 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)ccc2n1C(CO)CO ZINC000909307060 592804753 /nfs/dbraw/zinc/80/47/53/592804753.db2.gz JSIRGXAOCMDBHN-ZDUSSCGKSA-N 2 2 346.431 1.151 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C[C@@H]3CC[N@H+](C)C3)ccc2n1C(CO)CO ZINC000909307060 592804755 /nfs/dbraw/zinc/80/47/55/592804755.db2.gz JSIRGXAOCMDBHN-ZDUSSCGKSA-N 2 2 346.431 1.151 20 0 EDADLP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cccn1CC[NH+]1CCOCC1 ZINC000911583192 592954591 /nfs/dbraw/zinc/95/45/91/592954591.db2.gz FUJLFDBTAFADSK-CALCHBBNSA-N 2 2 346.475 1.177 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000911842588 593021894 /nfs/dbraw/zinc/02/18/94/593021894.db2.gz GRVIGDGJONCOMM-GJZGRUSLSA-N 2 2 332.448 1.661 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccc(N3CCCCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000911878977 593029762 /nfs/dbraw/zinc/02/97/62/593029762.db2.gz ISDMGVJCUWHQQQ-SFHVURJKSA-N 2 2 330.476 1.782 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccc(N3CCCCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000911878977 593029764 /nfs/dbraw/zinc/02/97/64/593029764.db2.gz ISDMGVJCUWHQQQ-SFHVURJKSA-N 2 2 330.476 1.782 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000912156466 593064039 /nfs/dbraw/zinc/06/40/39/593064039.db2.gz RNPWZTNWOAJWJN-UHFFFAOYSA-N 2 2 342.230 1.725 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000912386315 593090018 /nfs/dbraw/zinc/09/00/18/593090018.db2.gz CWFXCFGABAJUNX-IZAXUBKRSA-N 2 2 333.476 1.079 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000912386315 593090019 /nfs/dbraw/zinc/09/00/19/593090019.db2.gz CWFXCFGABAJUNX-IZAXUBKRSA-N 2 2 333.476 1.079 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000840086181 593154631 /nfs/dbraw/zinc/15/46/31/593154631.db2.gz KYDGSLMSENPFNY-QZTJIDSGSA-N 2 2 337.464 1.163 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000840086181 593154632 /nfs/dbraw/zinc/15/46/32/593154632.db2.gz KYDGSLMSENPFNY-QZTJIDSGSA-N 2 2 337.464 1.163 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000840086181 593154633 /nfs/dbraw/zinc/15/46/33/593154633.db2.gz KYDGSLMSENPFNY-QZTJIDSGSA-N 2 2 337.464 1.163 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000840086181 593154634 /nfs/dbraw/zinc/15/46/34/593154634.db2.gz KYDGSLMSENPFNY-QZTJIDSGSA-N 2 2 337.464 1.163 20 0 EDADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cn(C)cn2)CC1 ZINC000808379264 593256095 /nfs/dbraw/zinc/25/60/95/593256095.db2.gz JZKYNEZRMKWYDI-UHFFFAOYSA-N 2 2 327.476 1.847 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000802734010 593274197 /nfs/dbraw/zinc/27/41/97/593274197.db2.gz OAYYZGSUHJHBKC-SIXWZSSISA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000802734010 593274199 /nfs/dbraw/zinc/27/41/99/593274199.db2.gz OAYYZGSUHJHBKC-SIXWZSSISA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000802734010 593274201 /nfs/dbraw/zinc/27/42/01/593274201.db2.gz OAYYZGSUHJHBKC-SIXWZSSISA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000802734010 593274202 /nfs/dbraw/zinc/27/42/02/593274202.db2.gz OAYYZGSUHJHBKC-SIXWZSSISA-N 2 2 348.491 1.861 20 0 EDADLP CC(C)[C@H]1N(C[NH+]2CCC(n3cc[nH+]c3)CC2)C(=O)[C@@]12CCCO2 ZINC000840002239 593335947 /nfs/dbraw/zinc/33/59/47/593335947.db2.gz FYXXQWIKYGFFQB-SJLPKXTDSA-N 2 2 332.448 1.894 20 0 EDADLP Cc1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc(Cl)n1 ZINC000839536446 593336687 /nfs/dbraw/zinc/33/66/87/593336687.db2.gz NUVIEZGDKRSKQE-UHFFFAOYSA-N 2 2 339.867 1.703 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(C2OCCO2)s1 ZINC000809742763 593357406 /nfs/dbraw/zinc/35/74/06/593357406.db2.gz JQIUNZSHOHDNBA-UHFFFAOYSA-N 2 2 340.493 1.258 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(C2OCCO2)s1 ZINC000809742763 593357409 /nfs/dbraw/zinc/35/74/09/593357409.db2.gz JQIUNZSHOHDNBA-UHFFFAOYSA-N 2 2 340.493 1.258 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000809961197 593373535 /nfs/dbraw/zinc/37/35/35/593373535.db2.gz OZYOAKNBFFBYLY-RHSMWYFYSA-N 2 2 329.485 1.725 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000809961197 593373538 /nfs/dbraw/zinc/37/35/38/593373538.db2.gz OZYOAKNBFFBYLY-RHSMWYFYSA-N 2 2 329.485 1.725 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000840020476 593382441 /nfs/dbraw/zinc/38/24/41/593382441.db2.gz CBZKCPDCZAYWHL-NWGLXNPWSA-N 2 2 344.459 1.894 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000840020476 593382443 /nfs/dbraw/zinc/38/24/43/593382443.db2.gz CBZKCPDCZAYWHL-NWGLXNPWSA-N 2 2 344.459 1.894 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000810448761 593403166 /nfs/dbraw/zinc/40/31/66/593403166.db2.gz SVQYETZNGJFHGA-CRAIPNDOSA-N 2 2 341.471 1.522 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000810448761 593403167 /nfs/dbraw/zinc/40/31/67/593403167.db2.gz SVQYETZNGJFHGA-CRAIPNDOSA-N 2 2 341.471 1.522 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811760497 593479714 /nfs/dbraw/zinc/47/97/14/593479714.db2.gz VPDGXDQHZRCBOI-JKSUJKDBSA-N 2 2 332.448 1.723 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811760497 593479715 /nfs/dbraw/zinc/47/97/15/593479715.db2.gz VPDGXDQHZRCBOI-JKSUJKDBSA-N 2 2 332.448 1.723 20 0 EDADLP Cc1cc(N2CCC([NH2+][C@H](C)c3cc(CO)on3)CC2)nc(C)[nH+]1 ZINC000813328630 593526963 /nfs/dbraw/zinc/52/69/63/593526963.db2.gz KLXDLGAKTZVMMH-GFCCVEGCSA-N 2 2 331.420 1.893 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2ncon2)C1)C1CC[NH+](C2CC2)CC1 ZINC000816568397 593532275 /nfs/dbraw/zinc/53/22/75/593532275.db2.gz FPEWKINXCKSQAL-CQSZACIVSA-N 2 2 347.463 1.272 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)C1CC[NH+](C2CC2)CC1 ZINC000816568397 593532277 /nfs/dbraw/zinc/53/22/77/593532277.db2.gz FPEWKINXCKSQAL-CQSZACIVSA-N 2 2 347.463 1.272 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000819018815 593734199 /nfs/dbraw/zinc/73/41/99/593734199.db2.gz YEQYQHBLCDNDOA-SFHVURJKSA-N 2 2 348.491 1.782 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000819018815 593734200 /nfs/dbraw/zinc/73/42/00/593734200.db2.gz YEQYQHBLCDNDOA-SFHVURJKSA-N 2 2 348.491 1.782 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Cl)no3)CC2)CC1 ZINC000823745583 593848315 /nfs/dbraw/zinc/84/83/15/593848315.db2.gz DYSKUUIJQLSAMA-UHFFFAOYSA-N 2 2 340.855 1.960 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Cl)no3)CC2)CC1 ZINC000823745583 593848316 /nfs/dbraw/zinc/84/83/16/593848316.db2.gz DYSKUUIJQLSAMA-UHFFFAOYSA-N 2 2 340.855 1.960 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000820753141 593881851 /nfs/dbraw/zinc/88/18/51/593881851.db2.gz WXMGIRXDYREOGL-WBMJQRKESA-N 2 2 337.431 1.977 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000820753141 593881853 /nfs/dbraw/zinc/88/18/53/593881853.db2.gz WXMGIRXDYREOGL-WBMJQRKESA-N 2 2 337.431 1.977 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000822803718 594102885 /nfs/dbraw/zinc/10/28/85/594102885.db2.gz PFBFIWCWOFKMOV-LLVKDONJSA-N 2 2 328.332 1.270 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3nc(N4CC[NH2+]CC4)no3)C2)cc1 ZINC000823310496 594183815 /nfs/dbraw/zinc/18/38/15/594183815.db2.gz XGKUXJRSJRGTPX-HNNXBMFYSA-N 2 2 329.404 1.053 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3nc(N4CC[NH2+]CC4)no3)C2)cc1 ZINC000823310496 594183816 /nfs/dbraw/zinc/18/38/16/594183816.db2.gz XGKUXJRSJRGTPX-HNNXBMFYSA-N 2 2 329.404 1.053 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000827830748 594286075 /nfs/dbraw/zinc/28/60/75/594286075.db2.gz CFUDAPXRPPUSIY-UHFFFAOYSA-N 2 2 330.432 1.993 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826029549 594310214 /nfs/dbraw/zinc/31/02/14/594310214.db2.gz SZOWVWODMDISPI-HNNXBMFYSA-N 2 2 338.419 1.061 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826029549 594310216 /nfs/dbraw/zinc/31/02/16/594310216.db2.gz SZOWVWODMDISPI-HNNXBMFYSA-N 2 2 338.419 1.061 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826159720 594354634 /nfs/dbraw/zinc/35/46/34/594354634.db2.gz PJNAHKRFGMZNQN-CZUORRHYSA-N 2 2 330.436 1.628 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000826159720 594354637 /nfs/dbraw/zinc/35/46/37/594354637.db2.gz PJNAHKRFGMZNQN-CZUORRHYSA-N 2 2 330.436 1.628 20 0 EDADLP c1cn([C@@H]2CCC[N@@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c[nH+]1 ZINC000826524864 594518057 /nfs/dbraw/zinc/51/80/57/594518057.db2.gz NEZXULZRBRRXDH-CQSZACIVSA-N 2 2 349.402 1.548 20 0 EDADLP c1cn([C@@H]2CCC[N@H+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)C2)c[nH+]1 ZINC000826524864 594518059 /nfs/dbraw/zinc/51/80/59/594518059.db2.gz NEZXULZRBRRXDH-CQSZACIVSA-N 2 2 349.402 1.548 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH+]3CC4(C3)CCOCC4)ccn12 ZINC000829227710 594584743 /nfs/dbraw/zinc/58/47/43/594584743.db2.gz CACLVDDDQGYPHB-UHFFFAOYSA-N 2 2 342.443 1.827 20 0 EDADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000826846148 594587614 /nfs/dbraw/zinc/58/76/14/594587614.db2.gz LKHSNMODSFTUKR-CQSZACIVSA-N 2 2 343.349 1.591 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000831735745 594697685 /nfs/dbraw/zinc/69/76/85/594697685.db2.gz UVBMAETYCDOSIA-HOCLYGCPSA-N 2 2 325.416 1.729 20 0 EDADLP [NH3+][C@H](CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C1CC1 ZINC000831793394 594703532 /nfs/dbraw/zinc/70/35/32/594703532.db2.gz PSRYQYIAEPMVQE-MRXNPFEDSA-N 2 2 327.432 1.106 20 0 EDADLP COC[C@@]1(C[NH2+]Cc2ccc(OC(=O)C3CC3)c(OC)c2)CCC[NH2+]1 ZINC000841068295 594846742 /nfs/dbraw/zinc/84/67/42/594846742.db2.gz YOQNVOJFTIVDHL-IBGZPJMESA-N 2 2 348.443 1.869 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1OC(=O)CC ZINC000841085510 594849061 /nfs/dbraw/zinc/84/90/61/594849061.db2.gz FMNLLWVCOCYNEJ-OAHLLOKOSA-N 2 2 336.432 1.869 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841672588 594933690 /nfs/dbraw/zinc/93/36/90/594933690.db2.gz JPERCHJWWUVRTQ-LBPRGKRZSA-N 2 2 336.346 1.064 20 0 EDADLP CC[NH2+]Cc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000843200541 595031813 /nfs/dbraw/zinc/03/18/13/595031813.db2.gz FQHJSCBAAMYCSC-UHFFFAOYSA-N 2 2 329.404 1.234 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NCCOc1ccc(F)cc1 ZINC000843360848 595087517 /nfs/dbraw/zinc/08/75/17/595087517.db2.gz JNKCZKFDEQBLAG-MQVJKMGUSA-N 2 2 335.423 1.665 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NCCOc1ccc(F)cc1 ZINC000843360848 595087519 /nfs/dbraw/zinc/08/75/19/595087519.db2.gz JNKCZKFDEQBLAG-MQVJKMGUSA-N 2 2 335.423 1.665 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845935209 595100041 /nfs/dbraw/zinc/10/00/41/595100041.db2.gz ANBWKBVVYULRQW-UYSNPLJNSA-N 2 2 340.512 1.515 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845935209 595100044 /nfs/dbraw/zinc/10/00/44/595100044.db2.gz ANBWKBVVYULRQW-UYSNPLJNSA-N 2 2 340.512 1.515 20 0 EDADLP [NH3+]CCOCCN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000844221919 595306786 /nfs/dbraw/zinc/30/67/86/595306786.db2.gz OETFTAGHPFRVOH-UHFFFAOYSA-N 2 2 347.381 1.678 20 0 EDADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000846911662 595336185 /nfs/dbraw/zinc/33/61/85/595336185.db2.gz TUTPWCVHMPCMPC-GFCCVEGCSA-N 2 2 332.370 1.743 20 0 EDADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000846911662 595336187 /nfs/dbraw/zinc/33/61/87/595336187.db2.gz TUTPWCVHMPCMPC-GFCCVEGCSA-N 2 2 332.370 1.743 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CN3C(=O)CC34CCCC4)CC2)c1 ZINC000844691434 595373624 /nfs/dbraw/zinc/37/36/24/595373624.db2.gz MHIAUPZIQKCSRI-UHFFFAOYSA-N 2 2 330.432 1.715 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@]3(CC3(F)F)C1)C[NH+]1CCC2CC1 ZINC000844752255 595389481 /nfs/dbraw/zinc/38/94/81/595389481.db2.gz XYEDUWUDEKGBNL-HZPDHXFCSA-N 2 2 341.402 1.982 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@]3(CC3(F)F)C1)C[NH+]1CCC2CC1 ZINC000844752255 595389482 /nfs/dbraw/zinc/38/94/82/595389482.db2.gz XYEDUWUDEKGBNL-HZPDHXFCSA-N 2 2 341.402 1.982 20 0 EDADLP C[NH+]1CCC(CNC(=S)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000849275494 595499788 /nfs/dbraw/zinc/49/97/88/595499788.db2.gz REMCESOYHOVXDD-UHFFFAOYSA-N 2 2 347.532 1.988 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000860029590 595549473 /nfs/dbraw/zinc/54/94/73/595549473.db2.gz NXKFMFQWRLXWGC-KRWDZBQOSA-N 2 2 337.439 1.831 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2[nH+]ccn2C)[C@H](c2cnn(C)c2)C1 ZINC000849520517 595556437 /nfs/dbraw/zinc/55/64/37/595556437.db2.gz NLSFYEKVVAJGJL-CVEARBPZSA-N 2 2 344.463 1.284 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2[nH+]ccn2C)[C@H](c2cnn(C)c2)C1 ZINC000849520517 595556440 /nfs/dbraw/zinc/55/64/40/595556440.db2.gz NLSFYEKVVAJGJL-CVEARBPZSA-N 2 2 344.463 1.284 20 0 EDADLP COc1cc[nH+]cc1NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849517673 595557030 /nfs/dbraw/zinc/55/70/30/595557030.db2.gz MKJTVVWQVLQWFT-KBPBESRZSA-N 2 2 329.404 1.498 20 0 EDADLP COc1cc[nH+]cc1NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849517673 595557032 /nfs/dbraw/zinc/55/70/32/595557032.db2.gz MKJTVVWQVLQWFT-KBPBESRZSA-N 2 2 329.404 1.498 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1[nH]nc2c1CCCC2 ZINC000855346946 595682048 /nfs/dbraw/zinc/68/20/48/595682048.db2.gz POILVFPGWVYBMY-AWEZNQCLSA-N 2 2 335.496 1.219 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1[nH]nc2c1CCCC2 ZINC000855346946 595682051 /nfs/dbraw/zinc/68/20/51/595682051.db2.gz POILVFPGWVYBMY-AWEZNQCLSA-N 2 2 335.496 1.219 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000855346946 595682053 /nfs/dbraw/zinc/68/20/53/595682053.db2.gz POILVFPGWVYBMY-AWEZNQCLSA-N 2 2 335.496 1.219 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000855346946 595682056 /nfs/dbraw/zinc/68/20/56/595682056.db2.gz POILVFPGWVYBMY-AWEZNQCLSA-N 2 2 335.496 1.219 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000858340762 595768629 /nfs/dbraw/zinc/76/86/29/595768629.db2.gz NKVSIGYGJMRJOI-ILXRZTDVSA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000858340762 595768633 /nfs/dbraw/zinc/76/86/33/595768633.db2.gz NKVSIGYGJMRJOI-ILXRZTDVSA-N 2 2 327.469 1.479 20 0 EDADLP NC(=O)[C@](O)(C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000851728519 595899902 /nfs/dbraw/zinc/89/99/02/595899902.db2.gz OOYVEHNHUFGVOO-IBGZPJMESA-N 2 2 331.460 1.310 20 0 EDADLP c1[nH]nc([C@@H]2CC[NH2+]C2)c1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000854143410 595988793 /nfs/dbraw/zinc/98/87/93/595988793.db2.gz SERQXVDXBBXPGW-MBNYWOFBSA-N 2 2 344.419 1.462 20 0 EDADLP c1[nH]nc([C@@H]2CC[NH2+]C2)c1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000854143410 595988794 /nfs/dbraw/zinc/98/87/94/595988794.db2.gz SERQXVDXBBXPGW-MBNYWOFBSA-N 2 2 344.419 1.462 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214227 596007066 /nfs/dbraw/zinc/00/70/66/596007066.db2.gz ODSCNVSOZNMZJZ-QGZVFWFLSA-N 3 2 346.519 1.733 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214227 596007068 /nfs/dbraw/zinc/00/70/68/596007068.db2.gz ODSCNVSOZNMZJZ-QGZVFWFLSA-N 3 2 346.519 1.733 20 0 EDADLP CCc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000859337875 596055861 /nfs/dbraw/zinc/05/58/61/596055861.db2.gz SUMJYPHOJSVJRZ-NSHDSACASA-N 2 2 339.871 1.524 20 0 EDADLP CCc1[nH]nc(Cl)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000859337875 596055862 /nfs/dbraw/zinc/05/58/62/596055862.db2.gz SUMJYPHOJSVJRZ-NSHDSACASA-N 2 2 339.871 1.524 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000859357414 596063033 /nfs/dbraw/zinc/06/30/33/596063033.db2.gz IPMZLCOCNDKBNG-IBGZPJMESA-N 2 2 348.487 1.840 20 0 EDADLP c1cc(C[NH2+]Cc2cnccn2)cc(OCC[NH+]2CCOCC2)c1 ZINC000856766856 596077068 /nfs/dbraw/zinc/07/70/68/596077068.db2.gz DICGTJKISNNDNI-UHFFFAOYSA-N 2 2 328.416 1.477 20 0 EDADLP O=C1O[C@@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CN1c1ccccc1 ZINC000852708102 596230776 /nfs/dbraw/zinc/23/07/76/596230776.db2.gz QQCOGELCOZQXIL-MSOLQXFVSA-N 2 2 345.443 1.543 20 0 EDADLP O=C1O[C@@H](C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CN1c1ccccc1 ZINC000852708102 596230778 /nfs/dbraw/zinc/23/07/78/596230778.db2.gz QQCOGELCOZQXIL-MSOLQXFVSA-N 2 2 345.443 1.543 20 0 EDADLP C[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)NC(=O)OC(C)(C)C ZINC000852708154 596231300 /nfs/dbraw/zinc/23/13/00/596231300.db2.gz RZVWASFDGNDYKR-HIFRSBDPSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)NC(=O)OC(C)(C)C ZINC000852708154 596231301 /nfs/dbraw/zinc/23/13/01/596231301.db2.gz RZVWASFDGNDYKR-HIFRSBDPSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866574551 596254935 /nfs/dbraw/zinc/25/49/35/596254935.db2.gz WZHIWJVTJUPWBP-ZDUSSCGKSA-N 2 2 336.461 1.838 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864544681 596259504 /nfs/dbraw/zinc/25/95/04/596259504.db2.gz VYPYINMQGBOBDB-QPJJXVBHSA-N 2 2 343.471 1.528 20 0 EDADLP COc1ccc2c(c1)CC[C@H]2C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000862172108 596260145 /nfs/dbraw/zinc/26/01/45/596260145.db2.gz PVFWRJDZNPTCTL-GOSISDBHSA-N 2 2 333.476 1.725 20 0 EDADLP COc1ccc2c(c1)CC[C@H]2C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000862172108 596260147 /nfs/dbraw/zinc/26/01/47/596260147.db2.gz PVFWRJDZNPTCTL-GOSISDBHSA-N 2 2 333.476 1.725 20 0 EDADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862295521 596297747 /nfs/dbraw/zinc/29/77/47/596297747.db2.gz LBYYGFIMKXEYFI-OWCLPIDISA-N 2 2 341.496 1.942 20 0 EDADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862295521 596297749 /nfs/dbraw/zinc/29/77/49/596297749.db2.gz LBYYGFIMKXEYFI-OWCLPIDISA-N 2 2 341.496 1.942 20 0 EDADLP Cc1cc(NC(=O)/C=C/C[NH+]2CCOCC2)ccc1OCC[NH+](C)C ZINC000868850842 596325854 /nfs/dbraw/zinc/32/58/54/596325854.db2.gz KFWUYPDETRHGGH-SNAWJCMRSA-N 2 2 347.459 1.762 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000870861201 596380574 /nfs/dbraw/zinc/38/05/74/596380574.db2.gz IOGVYJNHADBAKY-IPCDKGFNSA-N 2 2 343.471 1.708 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000870861202 596380787 /nfs/dbraw/zinc/38/07/87/596380787.db2.gz IOGVYJNHADBAKY-KGXSXCIVSA-N 2 2 343.471 1.708 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[NH2+]CC3CC3)C2)cc1 ZINC000870980020 596427468 /nfs/dbraw/zinc/42/74/68/596427468.db2.gz WIKSOILDKJVHCS-SFHVURJKSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C[NH2+]CC3CC3)C2)cc1 ZINC000870980020 596427470 /nfs/dbraw/zinc/42/74/70/596427470.db2.gz WIKSOILDKJVHCS-SFHVURJKSA-N 2 2 331.460 1.312 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=S)NCC[NH+](C)C)c1cccc(F)c1 ZINC000016703599 596497483 /nfs/dbraw/zinc/49/74/83/596497483.db2.gz FOLQGQRGUBUJOF-AWEZNQCLSA-N 2 2 335.452 1.674 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000865199645 596512987 /nfs/dbraw/zinc/51/29/87/596512987.db2.gz SRCOZWPHVRRQGP-HZPDHXFCSA-N 2 2 346.406 1.074 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000867856848 596587839 /nfs/dbraw/zinc/58/78/39/596587839.db2.gz CBAQBXLLMMXTPQ-GJZGRUSLSA-N 2 2 334.370 1.661 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865534119 596603247 /nfs/dbraw/zinc/60/32/47/596603247.db2.gz FKXWMXJQXLRSIJ-INIZCTEOSA-N 2 2 326.448 1.746 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNc1cc(NCc2ccccc2)[nH+]cn1 ZINC000865534119 596603249 /nfs/dbraw/zinc/60/32/49/596603249.db2.gz FKXWMXJQXLRSIJ-INIZCTEOSA-N 2 2 326.448 1.746 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000863547731 596614567 /nfs/dbraw/zinc/61/45/67/596614567.db2.gz WXKAXLABMFESNQ-OIISXLGYSA-N 2 2 333.432 1.364 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CC[NH2+]C3CC3)C2)c1 ZINC000867998076 596648893 /nfs/dbraw/zinc/64/88/93/596648893.db2.gz OXFJFRLHJGREHA-GOSISDBHSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CC[NH2+]C3CC3)C2)c1 ZINC000867998076 596648897 /nfs/dbraw/zinc/64/88/97/596648897.db2.gz OXFJFRLHJGREHA-GOSISDBHSA-N 2 2 331.460 1.454 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000865744010 596667385 /nfs/dbraw/zinc/66/73/85/596667385.db2.gz MGGNZLSSEJQDBS-ZDUSSCGKSA-N 2 2 347.419 1.728 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3Cc4ccccc4O3)C2)CC1 ZINC000865749019 596669780 /nfs/dbraw/zinc/66/97/80/596669780.db2.gz MWIBMYDRXHNNLY-FUHWJXTLSA-N 2 2 343.471 1.665 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3Cc4ccccc4O3)C2)CC1 ZINC000865749019 596669782 /nfs/dbraw/zinc/66/97/82/596669782.db2.gz MWIBMYDRXHNNLY-FUHWJXTLSA-N 2 2 343.471 1.665 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(C=O)cc1 ZINC000865799195 596688438 /nfs/dbraw/zinc/68/84/38/596688438.db2.gz KTLRABMSVRJDIY-CMDGGOBGSA-N 2 2 343.471 1.997 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(C=O)cc1 ZINC000865799195 596688440 /nfs/dbraw/zinc/68/84/40/596688440.db2.gz KTLRABMSVRJDIY-CMDGGOBGSA-N 2 2 343.471 1.997 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)/C=C/C[NH+]2CCOCC2)ccc1F ZINC000865893760 596713677 /nfs/dbraw/zinc/71/36/77/596713677.db2.gz KLRUJZNSMJZXES-ONEGZZNKSA-N 2 2 335.423 1.392 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnn1C ZINC000868210079 596725356 /nfs/dbraw/zinc/72/53/56/596725356.db2.gz BGKYMLUCZINJBE-CQSZACIVSA-N 2 2 348.495 1.339 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[NH2+]2)c1 ZINC000870150347 596773878 /nfs/dbraw/zinc/77/38/78/596773878.db2.gz KMVIMRRHWWBVPG-SFHVURJKSA-N 2 2 331.460 1.900 20 0 EDADLP Cc1nccnc1[C@@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000872135358 596808382 /nfs/dbraw/zinc/80/83/82/596808382.db2.gz VXGYEMROEGWOHW-MRXNPFEDSA-N 2 2 333.480 1.232 20 0 EDADLP Cc1csc2nc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc(=O)n12 ZINC000872148135 596812028 /nfs/dbraw/zinc/81/20/28/596812028.db2.gz NSDCQWDHUZUPNN-GXSJLCMTSA-N 2 2 346.378 1.633 20 0 EDADLP Cc1csc2nc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc(=O)n12 ZINC000872148135 596812031 /nfs/dbraw/zinc/81/20/31/596812031.db2.gz NSDCQWDHUZUPNN-GXSJLCMTSA-N 2 2 346.378 1.633 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000872152819 596814383 /nfs/dbraw/zinc/81/43/83/596814383.db2.gz VNMRBZLPPAIUIT-ZUEVXXBESA-N 2 2 347.459 1.250 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000872152819 596814384 /nfs/dbraw/zinc/81/43/84/596814384.db2.gz VNMRBZLPPAIUIT-ZUEVXXBESA-N 2 2 347.459 1.250 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)c1 ZINC000872154324 596815187 /nfs/dbraw/zinc/81/51/87/596815187.db2.gz WITUBPIJZWABIE-FXAWDEMLSA-N 2 2 329.488 1.812 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)c1 ZINC000872154324 596815188 /nfs/dbraw/zinc/81/51/88/596815188.db2.gz WITUBPIJZWABIE-FXAWDEMLSA-N 2 2 329.488 1.812 20 0 EDADLP COC[C@@]1(c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)CCCC[NH2+]1 ZINC000872173093 596819426 /nfs/dbraw/zinc/81/94/26/596819426.db2.gz QRTLTXQZCBFRKQ-QGZVFWFLSA-N 2 2 340.387 1.933 20 0 EDADLP C[C@@]1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C[NH2+]CCO1 ZINC000872172734 596819430 /nfs/dbraw/zinc/81/94/30/596819430.db2.gz FRZGQBRDLKTFOL-KRWDZBQOSA-N 2 2 325.372 1.816 20 0 EDADLP CCNc1nc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000866205837 596826928 /nfs/dbraw/zinc/82/69/28/596826928.db2.gz ARHWDXGUAMTUFQ-QWHCGFSZSA-N 2 2 333.484 1.466 20 0 EDADLP CCNc1nc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000866205837 596826931 /nfs/dbraw/zinc/82/69/31/596826931.db2.gz ARHWDXGUAMTUFQ-QWHCGFSZSA-N 2 2 333.484 1.466 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)[nH+]1 ZINC000866205837 596826934 /nfs/dbraw/zinc/82/69/34/596826934.db2.gz ARHWDXGUAMTUFQ-QWHCGFSZSA-N 2 2 333.484 1.466 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)[nH+]1 ZINC000866205837 596826936 /nfs/dbraw/zinc/82/69/36/596826936.db2.gz ARHWDXGUAMTUFQ-QWHCGFSZSA-N 2 2 333.484 1.466 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000866205837 596826938 /nfs/dbraw/zinc/82/69/38/596826938.db2.gz ARHWDXGUAMTUFQ-QWHCGFSZSA-N 2 2 333.484 1.466 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)n1 ZINC000866205837 596826941 /nfs/dbraw/zinc/82/69/41/596826941.db2.gz ARHWDXGUAMTUFQ-QWHCGFSZSA-N 2 2 333.484 1.466 20 0 EDADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@H](O)CC(C)(C)O)CC2)c1 ZINC000872197994 596831388 /nfs/dbraw/zinc/83/13/88/596831388.db2.gz JDQKYZHEMMSRGZ-LJQANCHMSA-N 2 2 349.519 1.619 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000868423275 596832706 /nfs/dbraw/zinc/83/27/06/596832706.db2.gz HGBWACKQFZWGFG-JQFCIGGWSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000868423275 596832708 /nfs/dbraw/zinc/83/27/08/596832708.db2.gz HGBWACKQFZWGFG-JQFCIGGWSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1c2ccccc2C[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000868423275 596832712 /nfs/dbraw/zinc/83/27/12/596832712.db2.gz HGBWACKQFZWGFG-JQFCIGGWSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1c2ccccc2C[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000868423275 596832714 /nfs/dbraw/zinc/83/27/14/596832714.db2.gz HGBWACKQFZWGFG-JQFCIGGWSA-N 2 2 332.448 1.191 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c[nH+]1 ZINC000872256948 596857301 /nfs/dbraw/zinc/85/73/01/596857301.db2.gz GMVYOIZLRKSJOV-BBWFWOEESA-N 3 2 330.432 1.190 20 0 EDADLP Cc1ccc(CCC[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c[nH+]1 ZINC000872256948 596857304 /nfs/dbraw/zinc/85/73/04/596857304.db2.gz GMVYOIZLRKSJOV-BBWFWOEESA-N 3 2 330.432 1.190 20 0 EDADLP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000872296805 596872443 /nfs/dbraw/zinc/87/24/43/596872443.db2.gz BINNEMGSDUOLIW-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000872296805 596872445 /nfs/dbraw/zinc/87/24/45/596872445.db2.gz BINNEMGSDUOLIW-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP CCC(CC)[C@H](CNC(=S)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000874072446 596917038 /nfs/dbraw/zinc/91/70/38/596917038.db2.gz RADJAQBHPPREOY-HNNXBMFYSA-N 2 2 330.542 1.149 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000875676212 596943644 /nfs/dbraw/zinc/94/36/44/596943644.db2.gz FNDVGNINVSUTPO-HWOWSKLDSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000875676212 596943642 /nfs/dbraw/zinc/94/36/42/596943642.db2.gz FNDVGNINVSUTPO-HWOWSKLDSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CN1C[C@H]2CCCCN2C1=O ZINC000872593020 596980387 /nfs/dbraw/zinc/98/03/87/596980387.db2.gz VBHIEPDZJRUWBL-QBPKDAKJSA-N 2 2 336.480 1.418 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CN1C[C@H]2CCCCN2C1=O ZINC000872593020 596980388 /nfs/dbraw/zinc/98/03/88/596980388.db2.gz VBHIEPDZJRUWBL-QBPKDAKJSA-N 2 2 336.480 1.418 20 0 EDADLP CCCNc1cc(N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)nc[nH+]1 ZINC000872778148 597063996 /nfs/dbraw/zinc/06/39/96/597063996.db2.gz BIPZEDZMACXWNI-KGLIPLIRSA-N 2 2 346.435 1.060 20 0 EDADLP CCCNc1cc(N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)[nH+]cn1 ZINC000872778148 597064000 /nfs/dbraw/zinc/06/40/00/597064000.db2.gz BIPZEDZMACXWNI-KGLIPLIRSA-N 2 2 346.435 1.060 20 0 EDADLP C[C@@H](Nc1[nH+]cnc2c1c(Br)nn2C)C1CC[NH2+]CC1 ZINC000872783947 597066472 /nfs/dbraw/zinc/06/64/72/597066472.db2.gz NYUPONGVCRWLRA-MRVPVSSYSA-N 2 2 339.241 1.926 20 0 EDADLP CN(C(=O)c1cc(Cl)no1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874459093 597088872 /nfs/dbraw/zinc/08/88/72/597088872.db2.gz GLZTTYFMKZAJNH-LBPRGKRZSA-N 2 2 326.828 1.569 20 0 EDADLP CN(C(=O)c1cc(Cl)no1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874459093 597088876 /nfs/dbraw/zinc/08/88/76/597088876.db2.gz GLZTTYFMKZAJNH-LBPRGKRZSA-N 2 2 326.828 1.569 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000874703389 597147858 /nfs/dbraw/zinc/14/78/58/597147858.db2.gz PQIFBTSEBVDYKU-ROUUACIJSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000874703389 597147860 /nfs/dbraw/zinc/14/78/60/597147860.db2.gz PQIFBTSEBVDYKU-ROUUACIJSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000874703389 597147861 /nfs/dbraw/zinc/14/78/61/597147861.db2.gz PQIFBTSEBVDYKU-ROUUACIJSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000874703389 597147863 /nfs/dbraw/zinc/14/78/63/597147863.db2.gz PQIFBTSEBVDYKU-ROUUACIJSA-N 2 2 333.476 1.906 20 0 EDADLP Cc1nn(C)c2ncc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc12 ZINC000873227181 597234439 /nfs/dbraw/zinc/23/44/39/597234439.db2.gz HZCAUXIKLQLLBG-WCQYABFASA-N 2 2 327.354 1.846 20 0 EDADLP Cc1nn(C)c2ncc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc12 ZINC000873227181 597234441 /nfs/dbraw/zinc/23/44/41/597234441.db2.gz HZCAUXIKLQLLBG-WCQYABFASA-N 2 2 327.354 1.846 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000873260990 597241789 /nfs/dbraw/zinc/24/17/89/597241789.db2.gz AKLGSYOBOPNEQP-RHSMWYFYSA-N 2 2 332.448 1.068 20 0 EDADLP O=C1NCCN1Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000873263220 597242723 /nfs/dbraw/zinc/24/27/23/597242723.db2.gz URFFWFFLTAFHSM-MSOLQXFVSA-N 2 2 344.459 1.068 20 0 EDADLP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000876731827 597311315 /nfs/dbraw/zinc/31/13/15/597311315.db2.gz UOEOJCVKLLEUPH-NSHDSACASA-N 2 2 333.461 1.934 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@@H]2CC)CC1 ZINC000875190539 597321364 /nfs/dbraw/zinc/32/13/64/597321364.db2.gz DHULDKOXYCSLDO-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@@H]2CC)CC1 ZINC000875190539 597321369 /nfs/dbraw/zinc/32/13/69/597321369.db2.gz DHULDKOXYCSLDO-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876955929 597395700 /nfs/dbraw/zinc/39/57/00/597395700.db2.gz DWIHMFLUQGDACD-HNNXBMFYSA-N 2 2 336.461 1.735 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000875420031 597420754 /nfs/dbraw/zinc/42/07/54/597420754.db2.gz OEQZPCUCGPQDPM-JKSUJKDBSA-N 2 2 347.463 1.070 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000875420031 597420756 /nfs/dbraw/zinc/42/07/56/597420756.db2.gz OEQZPCUCGPQDPM-JKSUJKDBSA-N 2 2 347.463 1.070 20 0 EDADLP CC(C)[NH+](CCC[NH2+]Cc1cccc(S(N)(=O)=O)c1)C(C)C ZINC000877083407 597428279 /nfs/dbraw/zinc/42/82/79/597428279.db2.gz MVXUSVGJQNGYQJ-UHFFFAOYSA-N 2 2 327.494 1.933 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877201687 597460614 /nfs/dbraw/zinc/46/06/14/597460614.db2.gz NDAXTWOMEFYGHL-UKRRQHHQSA-N 2 2 338.452 1.199 20 0 EDADLP COCCC1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[NH2+]CC1 ZINC000877268273 597483994 /nfs/dbraw/zinc/48/39/94/597483994.db2.gz YCYXBDAWTXPNDG-UHFFFAOYSA-N 2 2 329.404 1.156 20 0 EDADLP CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877836907 597560877 /nfs/dbraw/zinc/56/08/77/597560877.db2.gz PPYMYAVESXHKNF-GOSISDBHSA-N 2 2 348.487 1.990 20 0 EDADLP CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877836907 597560878 /nfs/dbraw/zinc/56/08/78/597560878.db2.gz PPYMYAVESXHKNF-GOSISDBHSA-N 2 2 348.487 1.990 20 0 EDADLP CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877836908 597560919 /nfs/dbraw/zinc/56/09/19/597560919.db2.gz PPYMYAVESXHKNF-SFHVURJKSA-N 2 2 348.487 1.990 20 0 EDADLP CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877836908 597560920 /nfs/dbraw/zinc/56/09/20/597560920.db2.gz PPYMYAVESXHKNF-SFHVURJKSA-N 2 2 348.487 1.990 20 0 EDADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sccc3C(N)=O)CC[C@@H]21 ZINC000879576999 597639932 /nfs/dbraw/zinc/63/99/32/597639932.db2.gz ZHZIJPNSQNJWJZ-AAEUAGOBSA-N 2 2 336.461 1.202 20 0 EDADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sccc3C(N)=O)CC[C@@H]21 ZINC000879576999 597639935 /nfs/dbraw/zinc/63/99/35/597639935.db2.gz ZHZIJPNSQNJWJZ-AAEUAGOBSA-N 2 2 336.461 1.202 20 0 EDADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3sccc3C(N)=O)CC[C@@H]21 ZINC000879576999 597639937 /nfs/dbraw/zinc/63/99/37/597639937.db2.gz ZHZIJPNSQNJWJZ-AAEUAGOBSA-N 2 2 336.461 1.202 20 0 EDADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3sccc3C(N)=O)CC[C@@H]21 ZINC000879576999 597639938 /nfs/dbraw/zinc/63/99/38/597639938.db2.gz ZHZIJPNSQNJWJZ-AAEUAGOBSA-N 2 2 336.461 1.202 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC000879582953 597643843 /nfs/dbraw/zinc/64/38/43/597643843.db2.gz ONSYHEBZTXAAKZ-UHFFFAOYSA-N 2 2 340.435 1.480 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CCn2c(nnc2-c2cn(C)cn2)C1 ZINC000879582953 597643847 /nfs/dbraw/zinc/64/38/47/597643847.db2.gz ONSYHEBZTXAAKZ-UHFFFAOYSA-N 2 2 340.435 1.480 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000883156094 597670550 /nfs/dbraw/zinc/67/05/50/597670550.db2.gz DDYDMXOGLOLBPQ-SFHVURJKSA-N 2 2 346.475 1.412 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000883156094 597670554 /nfs/dbraw/zinc/67/05/54/597670554.db2.gz DDYDMXOGLOLBPQ-SFHVURJKSA-N 2 2 346.475 1.412 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000878671017 597674381 /nfs/dbraw/zinc/67/43/81/597674381.db2.gz WZGRJJRIGDHROM-QGZVFWFLSA-N 2 2 342.524 1.505 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878694397 597681926 /nfs/dbraw/zinc/68/19/26/597681926.db2.gz RVQFWNFCENTBLG-QGZVFWFLSA-N 2 2 338.492 1.399 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC(C)(C)CO3)C2)CC1 ZINC000878823657 597724433 /nfs/dbraw/zinc/72/44/33/597724433.db2.gz COUAPJCQQUIQDA-DOTOQJQBSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3CCC(C)(C)CO3)C2)CC1 ZINC000878823657 597724435 /nfs/dbraw/zinc/72/44/35/597724435.db2.gz COUAPJCQQUIQDA-DOTOQJQBSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000883448211 597750968 /nfs/dbraw/zinc/75/09/68/597750968.db2.gz XFVKDVQAWOQCOT-VDGAXYAQSA-N 3 2 340.471 1.523 20 0 EDADLP C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000883448211 597750969 /nfs/dbraw/zinc/75/09/69/597750969.db2.gz XFVKDVQAWOQCOT-VDGAXYAQSA-N 3 2 340.471 1.523 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000879952169 597781665 /nfs/dbraw/zinc/78/16/65/597781665.db2.gz UGKANISZZXVMSB-UHFFFAOYSA-N 3 2 336.524 1.491 20 0 EDADLP CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000883627529 597835406 /nfs/dbraw/zinc/83/54/06/597835406.db2.gz GOVRNKXZYSEFLA-UHFFFAOYSA-N 2 2 333.436 1.124 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCC2CCOCC2)CC1 ZINC000880254356 597884382 /nfs/dbraw/zinc/88/43/82/597884382.db2.gz UEFGJOQTDMLIBW-UHFFFAOYSA-N 2 2 337.508 1.999 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000880254781 597884510 /nfs/dbraw/zinc/88/45/10/597884510.db2.gz NTCRYKOUWKJKRW-IKGGRYGDSA-N 2 2 335.492 1.750 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884184054 598017644 /nfs/dbraw/zinc/01/76/44/598017644.db2.gz DYMRLVSMFUCQOB-OAHLLOKOSA-N 2 2 330.432 1.140 20 0 EDADLP CCc1cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)nc(C)[nH+]1 ZINC000882816061 598069185 /nfs/dbraw/zinc/06/91/85/598069185.db2.gz XMKJDGYJPJCYHR-UHFFFAOYSA-N 2 2 331.464 1.658 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000914141936 695153209 /nfs/dbraw/zinc/15/32/09/695153209.db2.gz UNOLYWNNYWNFRP-SFHVURJKSA-N 2 2 348.491 1.658 20 0 EDADLP CO[C@H](C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1)C1CCC1 ZINC001031050700 695385483 /nfs/dbraw/zinc/38/54/83/695385483.db2.gz UVECNYRWYKQYSH-QZTJIDSGSA-N 2 2 337.508 1.865 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)co1 ZINC000992840474 695398604 /nfs/dbraw/zinc/39/86/04/695398604.db2.gz WOCUTMZRWVFGCU-IAOVAPTHSA-N 2 2 343.431 1.666 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)no1 ZINC000992866839 695413791 /nfs/dbraw/zinc/41/37/91/695413791.db2.gz XLXRGOLILCWYBQ-VNQPRFMTSA-N 2 2 343.431 1.666 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000939855353 699993432 /nfs/dbraw/zinc/99/34/32/699993432.db2.gz DVZPGVNZGWIIDK-XJKSGUPXSA-N 2 2 343.431 1.387 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)cn1 ZINC000992860465 695418885 /nfs/dbraw/zinc/41/88/85/695418885.db2.gz NMSGQLBSRQXLQZ-ARFHVFGLSA-N 2 2 342.447 1.103 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3csnn3)[C@H]2C1 ZINC000992922198 695455396 /nfs/dbraw/zinc/45/53/96/695455396.db2.gz GXGWRXJVCWKNLO-AEGPPILISA-N 2 2 346.460 1.152 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)no1 ZINC000992922188 695455432 /nfs/dbraw/zinc/45/54/32/695455432.db2.gz GSYYHLQVJMTNSI-DJIMGWMZSA-N 2 2 343.431 1.596 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000915073582 695732706 /nfs/dbraw/zinc/73/27/06/695732706.db2.gz WBWPYBNKJKOJFE-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CO[C@H](C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1)c1ccccc1 ZINC001031259454 696071291 /nfs/dbraw/zinc/07/12/91/696071291.db2.gz BLHDWZUTRZEHTD-CRAIPNDOSA-N 2 2 331.460 1.516 20 0 EDADLP CO[C@H](C[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1 ZINC001031259454 696071292 /nfs/dbraw/zinc/07/12/92/696071292.db2.gz BLHDWZUTRZEHTD-CRAIPNDOSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263837 696075824 /nfs/dbraw/zinc/07/58/24/696075824.db2.gz BWTUDAICCZBAJH-RDJZCZTQSA-N 2 2 335.492 1.478 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC[N@@H+]1CCF ZINC000993581010 696233252 /nfs/dbraw/zinc/23/32/52/696233252.db2.gz VXBDKOPMWDKELL-DZGCQCFKSA-N 2 2 331.395 1.820 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC[N@H+]1CCF ZINC000993581010 696233255 /nfs/dbraw/zinc/23/32/55/696233255.db2.gz VXBDKOPMWDKELL-DZGCQCFKSA-N 2 2 331.395 1.820 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994208834 696582245 /nfs/dbraw/zinc/58/22/45/696582245.db2.gz MUHQYPZWHVVMRP-DYVFJYSZSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994208834 696582249 /nfs/dbraw/zinc/58/22/49/696582249.db2.gz MUHQYPZWHVVMRP-DYVFJYSZSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H]2C)o1 ZINC000994225900 696591021 /nfs/dbraw/zinc/59/10/21/696591021.db2.gz DOROFLQZWCLLCL-XJKSGUPXSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H]2C)o1 ZINC000994225900 696591022 /nfs/dbraw/zinc/59/10/22/696591022.db2.gz DOROFLQZWCLLCL-XJKSGUPXSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1nnsc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994417853 696833274 /nfs/dbraw/zinc/83/32/74/696833274.db2.gz GCXXJKBFEHPFEK-TZMCWYRMSA-N 2 2 348.476 1.521 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994417853 696833276 /nfs/dbraw/zinc/83/32/76/696833276.db2.gz GCXXJKBFEHPFEK-TZMCWYRMSA-N 2 2 348.476 1.521 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2ccns2)[C@@H]1C ZINC000994420917 696842590 /nfs/dbraw/zinc/84/25/90/696842590.db2.gz LPKMXXMNOGKPKF-DOMZBBRYSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccns2)[C@@H]1C ZINC000994420917 696842592 /nfs/dbraw/zinc/84/25/92/696842592.db2.gz LPKMXXMNOGKPKF-DOMZBBRYSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cncn2C)[C@H]1C ZINC000994424070 696846064 /nfs/dbraw/zinc/84/60/64/696846064.db2.gz PURQSFFZOHGKJE-BBRMVZONSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cncn2C)[C@H]1C ZINC000994424070 696846065 /nfs/dbraw/zinc/84/60/65/696846065.db2.gz PURQSFFZOHGKJE-BBRMVZONSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1ncsc1CC[NH+]1CC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001031431272 697092500 /nfs/dbraw/zinc/09/25/00/697092500.db2.gz ISJSCHDLHZRRFV-BETUJISGSA-N 2 2 336.505 1.667 20 0 EDADLP Cc1ncsc1CC[NH+]1CC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001031431272 697092503 /nfs/dbraw/zinc/09/25/03/697092503.db2.gz ISJSCHDLHZRRFV-BETUJISGSA-N 2 2 336.505 1.667 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000917892102 697104036 /nfs/dbraw/zinc/10/40/36/697104036.db2.gz WLAVVJAVIUMISA-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000917892102 697104037 /nfs/dbraw/zinc/10/40/37/697104037.db2.gz WLAVVJAVIUMISA-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001031579397 697275119 /nfs/dbraw/zinc/27/51/19/697275119.db2.gz HWZBCHGVOLSHQQ-INIZCTEOSA-N 2 2 332.448 1.123 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001031579397 697275121 /nfs/dbraw/zinc/27/51/21/697275121.db2.gz HWZBCHGVOLSHQQ-INIZCTEOSA-N 2 2 332.448 1.123 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)sn1 ZINC001031667103 697448438 /nfs/dbraw/zinc/44/84/38/697448438.db2.gz YJTDQRJMZVEPDG-INIZCTEOSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)sn1 ZINC001031667103 697448441 /nfs/dbraw/zinc/44/84/41/697448441.db2.gz YJTDQRJMZVEPDG-INIZCTEOSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](CC[C@H]4CCOC4)C3)ccn12 ZINC001031670140 697466830 /nfs/dbraw/zinc/46/68/30/697466830.db2.gz CERNRVONERKBLN-HNNXBMFYSA-N 2 2 342.443 1.731 20 0 EDADLP O=C(NCC1C[NH+](CC=C(Cl)Cl)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674052 697482316 /nfs/dbraw/zinc/48/23/16/697482316.db2.gz CEYYAJPXUFVXFX-ZDUSSCGKSA-N 2 2 332.275 1.695 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681291 697504204 /nfs/dbraw/zinc/50/42/04/697504204.db2.gz MBDFSFOVMWRWET-CXAGYDPISA-N 2 2 349.450 1.723 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681291 697504205 /nfs/dbraw/zinc/50/42/05/697504205.db2.gz MBDFSFOVMWRWET-CXAGYDPISA-N 2 2 349.450 1.723 20 0 EDADLP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001031730280 698067552 /nfs/dbraw/zinc/06/75/52/698067552.db2.gz JLULZCDEMHPXLP-KRWDZBQOSA-N 2 2 339.443 1.712 20 0 EDADLP CC[C@H](C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)CC1)[NH+](C)C ZINC001060755791 698295670 /nfs/dbraw/zinc/29/56/70/698295670.db2.gz PPXPJLWQKVFXOS-RBSFLKMASA-N 2 2 349.479 1.084 20 0 EDADLP C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943765230 698814577 /nfs/dbraw/zinc/81/45/77/698814577.db2.gz BQIMEMQCLSXSMV-RDJZCZTQSA-N 2 2 342.443 1.858 20 0 EDADLP C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943765230 698814583 /nfs/dbraw/zinc/81/45/83/698814583.db2.gz BQIMEMQCLSXSMV-RDJZCZTQSA-N 2 2 342.443 1.858 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995154113 701555852 /nfs/dbraw/zinc/55/58/52/701555852.db2.gz RJZKTVUCMDSKNZ-YPMHNXCESA-N 2 2 326.391 1.872 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939055324 699116078 /nfs/dbraw/zinc/11/60/78/699116078.db2.gz WZHLTMOAWJIUJI-UKRRQHHQSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031775151 699142162 /nfs/dbraw/zinc/14/21/62/699142162.db2.gz AGJPPOWCSFZCMK-INIZCTEOSA-N 2 2 339.443 1.397 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031782786 699204562 /nfs/dbraw/zinc/20/45/62/699204562.db2.gz LYFGQJLNXCQQCH-CVEARBPZSA-N 2 2 332.448 1.063 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031783520 699210325 /nfs/dbraw/zinc/21/03/25/699210325.db2.gz XZBHRFFRRCHFCU-CVEARBPZSA-N 2 2 332.448 1.063 20 0 EDADLP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001031784924 699220189 /nfs/dbraw/zinc/22/01/89/699220189.db2.gz ZHUYLHIUEWHAKJ-INIZCTEOSA-N 2 2 330.476 1.930 20 0 EDADLP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941564022 701584266 /nfs/dbraw/zinc/58/42/66/701584266.db2.gz UKKZPDKOANFBTF-OAHLLOKOSA-N 2 2 331.464 1.066 20 0 EDADLP CCc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cs1 ZINC000939211959 699360864 /nfs/dbraw/zinc/36/08/64/699360864.db2.gz VMVDRDMJXSXPJL-BXUZGUMPSA-N 2 2 333.461 1.608 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000939214917 699386891 /nfs/dbraw/zinc/38/68/91/699386891.db2.gz NOIVAEFYYPQXHS-BDJLRTHQSA-N 2 2 334.370 1.867 20 0 EDADLP CC(C)(C)CC[NH+]1CC(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000941585369 701590419 /nfs/dbraw/zinc/59/04/19/701590419.db2.gz LPERQRALBXEWNB-UHFFFAOYSA-N 2 2 333.480 1.217 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)on1 ZINC000995163394 701595456 /nfs/dbraw/zinc/59/54/56/701595456.db2.gz WGXWDPWVVAQQLF-QWHCGFSZSA-N 2 2 347.419 1.034 20 0 EDADLP Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1 ZINC000939412438 699565860 /nfs/dbraw/zinc/56/58/60/699565860.db2.gz HCPRBQWATNQPSM-DOTOQJQBSA-N 2 2 326.444 1.940 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000939540840 699681715 /nfs/dbraw/zinc/68/17/15/699681715.db2.gz JWAXMSABXOZMDF-HIFRSBDPSA-N 2 2 344.463 1.100 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939541406 699682176 /nfs/dbraw/zinc/68/21/76/699682176.db2.gz NNZLEAYPHMVHPO-JSGCOSHPSA-N 2 2 330.436 1.058 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939621747 699758297 /nfs/dbraw/zinc/75/82/97/699758297.db2.gz CYBLKZCAIDYNQP-IUODEOHRSA-N 2 2 330.436 1.114 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cncc(F)c2)[C@@H](C)C1 ZINC000939623729 699761347 /nfs/dbraw/zinc/76/13/47/699761347.db2.gz VDSWXEKBIORNSN-ZBEGNZNMSA-N 2 2 331.395 1.431 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939642650 699772205 /nfs/dbraw/zinc/77/22/05/699772205.db2.gz LVUHLKAYEHVIEK-YOEHRIQHSA-N 2 2 327.432 1.384 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000939747855 699894268 /nfs/dbraw/zinc/89/42/68/699894268.db2.gz MWGUKLSAEBIGQF-SWLSCSKDSA-N 2 2 343.431 1.694 20 0 EDADLP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1csnn1 ZINC000939810068 699958270 /nfs/dbraw/zinc/95/82/70/699958270.db2.gz KRPSEFWWWZLKCU-ZFWWWQNUSA-N 2 2 337.493 1.351 20 0 EDADLP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000939813049 699960697 /nfs/dbraw/zinc/96/06/97/699960697.db2.gz YAQJZDVEECRKHE-ZFWWWQNUSA-N 2 2 337.493 1.351 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1[NH2+]CC1CC1 ZINC000939816631 699964820 /nfs/dbraw/zinc/96/48/20/699964820.db2.gz PRNKKKJGPKJTRC-BBRMVZONSA-N 2 2 333.501 1.953 20 0 EDADLP C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1[NH2+]CC1CC1 ZINC000939816631 699964822 /nfs/dbraw/zinc/96/48/22/699964822.db2.gz PRNKKKJGPKJTRC-BBRMVZONSA-N 2 2 333.501 1.953 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CCO1 ZINC000940355932 700517827 /nfs/dbraw/zinc/51/78/27/700517827.db2.gz GVYADZBNWLAVFQ-GJZGRUSLSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940352990 700536700 /nfs/dbraw/zinc/53/67/00/700536700.db2.gz DWOCQIBQNPPJSO-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940354104 700537753 /nfs/dbraw/zinc/53/77/53/700537753.db2.gz WPXUQXMMPPNRRS-KBXCAEBGSA-N 2 2 332.448 1.350 20 0 EDADLP C[C@H](CC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1)n1cc[nH+]c1 ZINC000940358083 700539697 /nfs/dbraw/zinc/53/96/97/700539697.db2.gz OISKWSRMTOBKRI-OAHLLOKOSA-N 2 2 342.447 1.795 20 0 EDADLP CCOC1CC(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000940392723 700569265 /nfs/dbraw/zinc/56/92/65/700569265.db2.gz MJXSRQXLUOTAMY-UHFFFAOYSA-N 2 2 334.464 1.738 20 0 EDADLP O=C(NCC1C[NH+](CCC2CC2)C1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001032123101 701652205 /nfs/dbraw/zinc/65/22/05/701652205.db2.gz OSPIKCADBMRBQW-UHFFFAOYSA-N 2 2 325.416 1.729 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000940426122 700619548 /nfs/dbraw/zinc/61/95/48/700619548.db2.gz GFXDRSHIPWSGCX-UHFFFAOYSA-N 2 2 347.488 1.898 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]Cc2cncc(F)c2)CC1 ZINC000940426138 700619600 /nfs/dbraw/zinc/61/96/00/700619600.db2.gz GVINLTMEQYDWLV-UHFFFAOYSA-N 2 2 345.422 1.668 20 0 EDADLP CCCc1nc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)no1 ZINC000940461803 700665162 /nfs/dbraw/zinc/66/51/62/700665162.db2.gz LLTSXRWYYNQDGC-UHFFFAOYSA-N 2 2 349.479 1.589 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccnc3)CC2(C)C)C1 ZINC000940650095 700812075 /nfs/dbraw/zinc/81/20/75/700812075.db2.gz WYKBMJLGAGAQAK-IRXDYDNUSA-N 2 2 346.475 1.129 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccnc3)CC2(C)C)C1 ZINC000940650095 700812077 /nfs/dbraw/zinc/81/20/77/700812077.db2.gz WYKBMJLGAGAQAK-IRXDYDNUSA-N 2 2 346.475 1.129 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccnc3)CC2(C)C)C1 ZINC000940650095 700812079 /nfs/dbraw/zinc/81/20/79/700812079.db2.gz WYKBMJLGAGAQAK-IRXDYDNUSA-N 2 2 346.475 1.129 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3)CC2(C)C)C1 ZINC000940650095 700812080 /nfs/dbraw/zinc/81/20/80/700812080.db2.gz WYKBMJLGAGAQAK-IRXDYDNUSA-N 2 2 346.475 1.129 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000940785025 700895608 /nfs/dbraw/zinc/89/56/08/700895608.db2.gz GHEXXLLKRXVADV-CVEARBPZSA-N 2 2 349.479 1.661 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000940785025 700895609 /nfs/dbraw/zinc/89/56/09/700895609.db2.gz GHEXXLLKRXVADV-CVEARBPZSA-N 2 2 349.479 1.661 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000940785025 700895610 /nfs/dbraw/zinc/89/56/10/700895610.db2.gz GHEXXLLKRXVADV-CVEARBPZSA-N 2 2 349.479 1.661 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000940785025 700895611 /nfs/dbraw/zinc/89/56/11/700895611.db2.gz GHEXXLLKRXVADV-CVEARBPZSA-N 2 2 349.479 1.661 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995105568 700923776 /nfs/dbraw/zinc/92/37/76/700923776.db2.gz AMKXLTPTEYEGOL-GJZGRUSLSA-N 2 2 327.432 1.730 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940846824 700942113 /nfs/dbraw/zinc/94/21/13/700942113.db2.gz JBRIIYRPWNPPHU-ZBFHGGJFSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940846824 700942115 /nfs/dbraw/zinc/94/21/15/700942115.db2.gz JBRIIYRPWNPPHU-ZBFHGGJFSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cs1 ZINC000995114409 701042916 /nfs/dbraw/zinc/04/29/16/701042916.db2.gz HZRIBPKMWWJRHW-QWHCGFSZSA-N 2 2 333.461 1.792 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941025704 701064885 /nfs/dbraw/zinc/06/48/85/701064885.db2.gz FMWRALAGHQXBDO-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941025704 701064889 /nfs/dbraw/zinc/06/48/89/701064889.db2.gz FMWRALAGHQXBDO-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941025704 701064894 /nfs/dbraw/zinc/06/48/94/701064894.db2.gz FMWRALAGHQXBDO-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941025704 701064896 /nfs/dbraw/zinc/06/48/96/701064896.db2.gz FMWRALAGHQXBDO-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP CC1(C)CO[C@@H](C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000941061058 701107974 /nfs/dbraw/zinc/10/79/74/701107974.db2.gz KPFNNOITSKZMNR-HZPDHXFCSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@@H](C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)C1 ZINC000941061058 701107976 /nfs/dbraw/zinc/10/79/76/701107976.db2.gz KPFNNOITSKZMNR-HZPDHXFCSA-N 2 2 348.491 1.984 20 0 EDADLP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941078453 701140473 /nfs/dbraw/zinc/14/04/73/701140473.db2.gz FGDVAEMWYZVBQV-MRXNPFEDSA-N 2 2 349.479 1.518 20 0 EDADLP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941078453 701140475 /nfs/dbraw/zinc/14/04/75/701140475.db2.gz FGDVAEMWYZVBQV-MRXNPFEDSA-N 2 2 349.479 1.518 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)n1 ZINC000945806117 701195790 /nfs/dbraw/zinc/19/57/90/701195790.db2.gz ASGNLFNRXAYZBU-YOEHRIQHSA-N 2 2 344.463 1.223 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)n1 ZINC000945806117 701195792 /nfs/dbraw/zinc/19/57/92/701195792.db2.gz ASGNLFNRXAYZBU-YOEHRIQHSA-N 2 2 344.463 1.223 20 0 EDADLP C[C@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810403 701203350 /nfs/dbraw/zinc/20/33/50/701203350.db2.gz XJBDMQYMBHDKJU-JSGCOSHPSA-N 2 2 326.391 1.755 20 0 EDADLP C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810403 701203352 /nfs/dbraw/zinc/20/33/52/701203352.db2.gz XJBDMQYMBHDKJU-JSGCOSHPSA-N 2 2 326.391 1.755 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001031932273 701375410 /nfs/dbraw/zinc/37/54/10/701375410.db2.gz INASSMYCTKRKNH-UHFFFAOYSA-N 2 2 328.416 1.598 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941165738 701376881 /nfs/dbraw/zinc/37/68/81/701376881.db2.gz BQJPFMPSQHKQTO-HNNXBMFYSA-N 2 2 345.491 1.233 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941165738 701376882 /nfs/dbraw/zinc/37/68/82/701376882.db2.gz BQJPFMPSQHKQTO-HNNXBMFYSA-N 2 2 345.491 1.233 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)CC1(C)C ZINC000941166712 701377459 /nfs/dbraw/zinc/37/74/59/701377459.db2.gz HEEGCSONXNTFDJ-KRWDZBQOSA-N 2 2 341.459 1.775 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)CC1(C)C ZINC000941166712 701377460 /nfs/dbraw/zinc/37/74/60/701377460.db2.gz HEEGCSONXNTFDJ-KRWDZBQOSA-N 2 2 341.459 1.775 20 0 EDADLP CC1(C)C[N@H+](Cc2cnns2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221126 701411382 /nfs/dbraw/zinc/41/13/82/701411382.db2.gz LJMFQERARBRDKJ-AWEZNQCLSA-N 2 2 337.493 1.351 20 0 EDADLP CC1(C)C[N@@H+](Cc2cnns2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221126 701411383 /nfs/dbraw/zinc/41/13/83/701411383.db2.gz LJMFQERARBRDKJ-AWEZNQCLSA-N 2 2 337.493 1.351 20 0 EDADLP CC1(C)C[N@H+](Cc2cncs2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941248297 701424764 /nfs/dbraw/zinc/42/47/64/701424764.db2.gz VKLUCVJCBADJBT-AWEZNQCLSA-N 2 2 333.461 1.757 20 0 EDADLP CC1(C)C[N@@H+](Cc2cncs2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941248297 701424765 /nfs/dbraw/zinc/42/47/65/701424765.db2.gz VKLUCVJCBADJBT-AWEZNQCLSA-N 2 2 333.461 1.757 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941455861 701542889 /nfs/dbraw/zinc/54/28/89/701542889.db2.gz IPYUAGBFPBIQNA-UHFFFAOYSA-N 2 2 339.443 1.415 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000995175820 701805149 /nfs/dbraw/zinc/80/51/49/701805149.db2.gz BDFNHDGEODINFA-ZFWWWQNUSA-N 2 2 330.436 1.069 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976257 701952632 /nfs/dbraw/zinc/95/26/32/701952632.db2.gz HYGBFBJODZXFQG-SUMWQHHRSA-N 2 2 349.450 1.580 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976257 701952637 /nfs/dbraw/zinc/95/26/37/701952637.db2.gz HYGBFBJODZXFQG-SUMWQHHRSA-N 2 2 349.450 1.580 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001031977985 701978651 /nfs/dbraw/zinc/97/86/51/701978651.db2.gz LJFXVIWLWGYQCF-SWLSCSKDSA-N 2 2 336.867 1.481 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001031977985 701978653 /nfs/dbraw/zinc/97/86/53/701978653.db2.gz LJFXVIWLWGYQCF-SWLSCSKDSA-N 2 2 336.867 1.481 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1)C1CC1 ZINC000995894613 702197669 /nfs/dbraw/zinc/19/76/69/702197669.db2.gz KJAHKIZCRPGBJM-ZIAGYGMSSA-N 2 2 337.493 1.205 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995920100 702240580 /nfs/dbraw/zinc/24/05/80/702240580.db2.gz SHVGPCBUMMPGJT-AWEZNQCLSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)o1 ZINC000995921694 702243978 /nfs/dbraw/zinc/24/39/78/702243978.db2.gz AXFVBNDVKLQRTF-ZFWWWQNUSA-N 2 2 337.468 1.291 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000995982846 702342792 /nfs/dbraw/zinc/34/27/92/702342792.db2.gz PYDZNBSUNBEOET-ZIAGYGMSSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000995982846 702342797 /nfs/dbraw/zinc/34/27/97/702342797.db2.gz PYDZNBSUNBEOET-ZIAGYGMSSA-N 2 2 337.493 1.349 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996088132 702497189 /nfs/dbraw/zinc/49/71/89/702497189.db2.gz VUCSYXOACNGQLQ-CQSZACIVSA-N 2 2 347.488 1.836 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)c(C)o1 ZINC000996105720 702565887 /nfs/dbraw/zinc/56/58/87/702565887.db2.gz KIYPEYQCRDAVTP-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)C1 ZINC000996105794 702566125 /nfs/dbraw/zinc/56/61/25/702566125.db2.gz LLSANWLLGUULSI-HZPDHXFCSA-N 2 2 348.491 1.915 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996223449 702633587 /nfs/dbraw/zinc/63/35/87/702633587.db2.gz RLPSQXCIKUVRIA-IUODEOHRSA-N 2 2 349.479 1.607 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)s1 ZINC000996353870 702731761 /nfs/dbraw/zinc/73/17/61/702731761.db2.gz DQOCDGBNHOYSCJ-CYBMUJFWSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000996356950 702734433 /nfs/dbraw/zinc/73/44/33/702734433.db2.gz USRKLEACYFJCEM-OAHLLOKOSA-N 2 2 328.420 1.077 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996513132 702832387 /nfs/dbraw/zinc/83/23/87/702832387.db2.gz GDKDXTSYZSILNF-INIZCTEOSA-N 2 2 334.464 1.216 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3csnn3)C(C)(C)C2)C1 ZINC000996518555 702854232 /nfs/dbraw/zinc/85/42/32/702854232.db2.gz KVLSPUIGGZPRRU-GXTWGEPZSA-N 2 2 337.493 1.207 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3csnn3)C(C)(C)C2)C1 ZINC000996518555 702854236 /nfs/dbraw/zinc/85/42/36/702854236.db2.gz KVLSPUIGGZPRRU-GXTWGEPZSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C)c1csnn1 ZINC000996521284 702857063 /nfs/dbraw/zinc/85/70/63/702857063.db2.gz RFDSKZMOYASFOQ-TZMCWYRMSA-N 2 2 349.504 1.522 20 0 EDADLP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996568891 702880999 /nfs/dbraw/zinc/88/09/99/702880999.db2.gz OCVJQZKVZDFYLZ-OAHLLOKOSA-N 2 2 344.463 1.113 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996611773 702917074 /nfs/dbraw/zinc/91/70/74/702917074.db2.gz PCPBHADFPPRUNY-AWEZNQCLSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995251035 702975949 /nfs/dbraw/zinc/97/59/49/702975949.db2.gz PEXBEMBVQYTJRV-GJZGRUSLSA-N 2 2 328.420 1.056 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996685483 702983322 /nfs/dbraw/zinc/98/33/22/702983322.db2.gz QTENGUIXCRFGHG-HUUCEWRRSA-N 2 2 345.472 1.793 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996685483 702983323 /nfs/dbraw/zinc/98/33/23/702983323.db2.gz QTENGUIXCRFGHG-HUUCEWRRSA-N 2 2 345.472 1.793 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC000942518296 703012531 /nfs/dbraw/zinc/01/25/31/703012531.db2.gz PLJNJVIWVWZPIN-CXAGYDPISA-N 2 2 344.463 1.260 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C[C@H]1C ZINC000942518296 703012534 /nfs/dbraw/zinc/01/25/34/703012534.db2.gz PLJNJVIWVWZPIN-CXAGYDPISA-N 2 2 344.463 1.260 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)o1 ZINC000996760091 703048328 /nfs/dbraw/zinc/04/83/28/703048328.db2.gz SGKWAPVDDOWABJ-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC000996803712 703094194 /nfs/dbraw/zinc/09/41/94/703094194.db2.gz XIBQWWMEDKQZRK-ZDUSSCGKSA-N 2 2 346.435 1.479 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581847 703098249 /nfs/dbraw/zinc/09/82/49/703098249.db2.gz NXZXJTRPFMTBEQ-BBRMVZONSA-N 2 2 346.431 1.970 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581847 703098252 /nfs/dbraw/zinc/09/82/52/703098252.db2.gz NXZXJTRPFMTBEQ-BBRMVZONSA-N 2 2 346.431 1.970 20 0 EDADLP Cc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001032332455 703111017 /nfs/dbraw/zinc/11/10/17/703111017.db2.gz WAZCSJDGAKPDBE-OKZBNKHCSA-N 2 2 329.444 1.111 20 0 EDADLP Cc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001032332455 703111018 /nfs/dbraw/zinc/11/10/18/703111018.db2.gz WAZCSJDGAKPDBE-OKZBNKHCSA-N 2 2 329.444 1.111 20 0 EDADLP Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)CCO2)c1 ZINC001032332455 703111020 /nfs/dbraw/zinc/11/10/20/703111020.db2.gz WAZCSJDGAKPDBE-OKZBNKHCSA-N 2 2 329.444 1.111 20 0 EDADLP Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)CCO2)c1 ZINC001032332455 703111022 /nfs/dbraw/zinc/11/10/22/703111022.db2.gz WAZCSJDGAKPDBE-OKZBNKHCSA-N 2 2 329.444 1.111 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCCC2)C1 ZINC001032332005 703114255 /nfs/dbraw/zinc/11/42/55/703114255.db2.gz ORWJVGZGMSBGRF-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCCC2)C1 ZINC001032332005 703114256 /nfs/dbraw/zinc/11/42/56/703114256.db2.gz ORWJVGZGMSBGRF-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCCC2)C1 ZINC001032332005 703114258 /nfs/dbraw/zinc/11/42/58/703114258.db2.gz ORWJVGZGMSBGRF-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCCC2)C1 ZINC001032332005 703114260 /nfs/dbraw/zinc/11/42/60/703114260.db2.gz ORWJVGZGMSBGRF-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1)c1cnccn1 ZINC000996829153 703118496 /nfs/dbraw/zinc/11/84/96/703118496.db2.gz BNGMKTGWXOJMOY-CQSZACIVSA-N 2 2 342.447 1.485 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)cs1 ZINC000996835339 703123002 /nfs/dbraw/zinc/12/30/02/703123002.db2.gz RHXPKBFTWGFUCY-UHFFFAOYSA-N 2 2 347.488 1.898 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)ccn1 ZINC000996859420 703143393 /nfs/dbraw/zinc/14/33/93/703143393.db2.gz LNUMDVGHGUSAIJ-UHFFFAOYSA-N 2 2 343.431 1.458 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996933283 703202895 /nfs/dbraw/zinc/20/28/95/703202895.db2.gz GMMVGFUGTNYATI-UHFFFAOYSA-N 2 2 343.431 1.526 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042908 703210089 /nfs/dbraw/zinc/21/00/89/703210089.db2.gz NRYBQKAPRWNJNE-ZBFHGGJFSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042908 703210090 /nfs/dbraw/zinc/21/00/90/703210090.db2.gz NRYBQKAPRWNJNE-ZBFHGGJFSA-N 2 2 334.489 1.708 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996986692 703244656 /nfs/dbraw/zinc/24/46/56/703244656.db2.gz AMUZOKRYNBUIPF-CYBMUJFWSA-N 2 2 346.460 1.462 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996988430 703245855 /nfs/dbraw/zinc/24/58/55/703245855.db2.gz IXWCMZQMRKFMDN-HZPDHXFCSA-N 2 2 346.475 1.979 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000997040339 703291141 /nfs/dbraw/zinc/29/11/41/703291141.db2.gz FWMXLJJXWYDDJS-UHFFFAOYSA-N 2 2 340.427 1.763 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1)n1cc[nH+]c1 ZINC000997046972 703295604 /nfs/dbraw/zinc/29/56/04/703295604.db2.gz SGOWJVBUCDKGNB-HOCLYGCPSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000997082204 703320720 /nfs/dbraw/zinc/32/07/20/703320720.db2.gz CPHNFAVKOYHEIF-CYBMUJFWSA-N 2 2 330.436 1.103 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823207 703331490 /nfs/dbraw/zinc/33/14/90/703331490.db2.gz SOCMSZBUKUSGNV-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823207 703331493 /nfs/dbraw/zinc/33/14/93/703331493.db2.gz SOCMSZBUKUSGNV-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccon2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942823207 703331494 /nfs/dbraw/zinc/33/14/94/703331494.db2.gz SOCMSZBUKUSGNV-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccon2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942823207 703331497 /nfs/dbraw/zinc/33/14/97/703331497.db2.gz SOCMSZBUKUSGNV-ZBFHGGJFSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997086553 703332346 /nfs/dbraw/zinc/33/23/46/703332346.db2.gz TXHQALNQXFFOAQ-CYBMUJFWSA-N 2 2 347.488 1.868 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997086553 703332349 /nfs/dbraw/zinc/33/23/49/703332349.db2.gz TXHQALNQXFFOAQ-CYBMUJFWSA-N 2 2 347.488 1.868 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000997128945 703387685 /nfs/dbraw/zinc/38/76/85/703387685.db2.gz WXIBHSBWJTVBSJ-UHFFFAOYSA-N 2 2 333.823 1.781 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC000997181158 703471033 /nfs/dbraw/zinc/47/10/33/703471033.db2.gz WFBKOHPWIPZHAX-CABCVRRESA-N 2 2 334.464 1.358 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032416528 703487952 /nfs/dbraw/zinc/48/79/52/703487952.db2.gz HXWIJJHAZTZQON-KBMXLJTQSA-N 2 2 332.448 1.082 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032416528 703487953 /nfs/dbraw/zinc/48/79/53/703487953.db2.gz HXWIJJHAZTZQON-KBMXLJTQSA-N 2 2 332.448 1.082 20 0 EDADLP CCn1cc(CC[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)cn1 ZINC000997222653 703500385 /nfs/dbraw/zinc/50/03/85/703500385.db2.gz SMRLLXQVYQYZOC-UHFFFAOYSA-N 2 2 344.463 1.300 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000997223059 703500619 /nfs/dbraw/zinc/50/06/19/703500619.db2.gz VRRBXCMGMTYVOT-UHFFFAOYSA-N 2 2 343.435 1.037 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000997418744 703669684 /nfs/dbraw/zinc/66/96/84/703669684.db2.gz YJLIIYVJUBLOBG-QGZVFWFLSA-N 2 2 346.406 1.336 20 0 EDADLP Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CCC[NH+](CCC2)C3)cn1 ZINC001032472485 703685817 /nfs/dbraw/zinc/68/58/17/703685817.db2.gz UYXQNVHZAMZWGY-IRXDYDNUSA-N 2 2 343.475 1.081 20 0 EDADLP Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CCC[NH+](CCC2)C3)cn1 ZINC001032472485 703685818 /nfs/dbraw/zinc/68/58/18/703685818.db2.gz UYXQNVHZAMZWGY-IRXDYDNUSA-N 2 2 343.475 1.081 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1)C12CCC[NH+](CCC1)C2 ZINC001032472566 703686042 /nfs/dbraw/zinc/68/60/42/703686042.db2.gz YCUUECVYYFTQKF-ROUUACIJSA-N 2 2 340.471 1.743 20 0 EDADLP 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CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1)OC ZINC001032477629 703706758 /nfs/dbraw/zinc/70/67/58/703706758.db2.gz NXEGZDABFYKELE-KKUMJFAQSA-N 2 2 328.416 1.887 20 0 EDADLP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1)OC ZINC001032477629 703706760 /nfs/dbraw/zinc/70/67/60/703706760.db2.gz NXEGZDABFYKELE-KKUMJFAQSA-N 2 2 328.416 1.887 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947930670 703885441 /nfs/dbraw/zinc/88/54/41/703885441.db2.gz TUWWHMWFFIVABP-SWLSCSKDSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947930670 703885442 /nfs/dbraw/zinc/88/54/42/703885442.db2.gz TUWWHMWFFIVABP-SWLSCSKDSA-N 2 2 331.420 1.428 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033074400 704117481 /nfs/dbraw/zinc/11/74/81/704117481.db2.gz ZXIFSURBVJOSEM-NVXWUHKLSA-N 2 2 348.495 1.204 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033074400 704117483 /nfs/dbraw/zinc/11/74/83/704117483.db2.gz ZXIFSURBVJOSEM-NVXWUHKLSA-N 2 2 348.495 1.204 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033074400 704117484 /nfs/dbraw/zinc/11/74/84/704117484.db2.gz ZXIFSURBVJOSEM-NVXWUHKLSA-N 2 2 348.495 1.204 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033074400 704117486 /nfs/dbraw/zinc/11/74/86/704117486.db2.gz ZXIFSURBVJOSEM-NVXWUHKLSA-N 2 2 348.495 1.204 20 0 EDADLP CN1CC[N@H+](C)CC(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922667441 704205689 /nfs/dbraw/zinc/20/56/89/704205689.db2.gz MJFUSWOBKSZJQM-SFHVURJKSA-N 2 2 341.459 1.234 20 0 EDADLP CN1CC[N@@H+](C)CC(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922667441 704205692 /nfs/dbraw/zinc/20/56/92/704205692.db2.gz MJFUSWOBKSZJQM-SFHVURJKSA-N 2 2 341.459 1.234 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)c1ccccc1 ZINC001032550381 704687248 /nfs/dbraw/zinc/68/72/48/704687248.db2.gz OGUATWVGBYQZKG-OKZBNKHCSA-N 2 2 340.427 1.292 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)c1ccccc1 ZINC001032550381 704687250 /nfs/dbraw/zinc/68/72/50/704687250.db2.gz OGUATWVGBYQZKG-OKZBNKHCSA-N 2 2 340.427 1.292 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C1CCCCC1 ZINC001032551478 704691702 /nfs/dbraw/zinc/69/17/02/704691702.db2.gz UEOAYOZPTIGDPZ-OKZBNKHCSA-N 2 2 346.475 1.500 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)n1 ZINC000944943024 704795455 /nfs/dbraw/zinc/79/54/55/704795455.db2.gz FNALLCGTKZHAKS-GXTWGEPZSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)n1 ZINC000944943024 704795457 /nfs/dbraw/zinc/79/54/57/704795457.db2.gz FNALLCGTKZHAKS-GXTWGEPZSA-N 2 2 346.435 1.164 20 0 EDADLP CC(C)n1ncnc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946248 704799271 /nfs/dbraw/zinc/79/92/71/704799271.db2.gz WCVPEEROGZUJIQ-HOTGVXAUSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1ncnc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946248 704799273 /nfs/dbraw/zinc/79/92/73/704799273.db2.gz WCVPEEROGZUJIQ-HOTGVXAUSA-N 2 2 348.495 1.281 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)c(C)o1 ZINC000944963696 704829617 /nfs/dbraw/zinc/82/96/17/704829617.db2.gz CPDUPKFERPNCHA-LRDDRELGSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)c(C)o1 ZINC000944963696 704829622 /nfs/dbraw/zinc/82/96/22/704829622.db2.gz CPDUPKFERPNCHA-LRDDRELGSA-N 2 2 345.447 1.823 20 0 EDADLP C[C@H](CC(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000998122603 705375789 /nfs/dbraw/zinc/37/57/89/705375789.db2.gz BLBICQIKQYGTIX-NVXWUHKLSA-N 2 2 334.464 1.699 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000998139165 705405372 /nfs/dbraw/zinc/40/53/72/705405372.db2.gz OQKGBYPSHFNBCM-DOTOQJQBSA-N 2 2 348.491 1.843 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000998139165 705405374 /nfs/dbraw/zinc/40/53/74/705405374.db2.gz OQKGBYPSHFNBCM-DOTOQJQBSA-N 2 2 348.491 1.843 20 0 EDADLP Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001032612091 705587049 /nfs/dbraw/zinc/58/70/49/705587049.db2.gz VDBARUDSNSTYEU-OFQRWUPVSA-N 2 2 336.505 1.823 20 0 EDADLP Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001032612091 705587052 /nfs/dbraw/zinc/58/70/52/705587052.db2.gz VDBARUDSNSTYEU-OFQRWUPVSA-N 2 2 336.505 1.823 20 0 EDADLP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)co1 ZINC000999008384 706428048 /nfs/dbraw/zinc/42/80/48/706428048.db2.gz WXWWNTLRRGFGQI-CBCUQQMYSA-N 2 2 343.431 1.521 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999128878 706530751 /nfs/dbraw/zinc/53/07/51/706530751.db2.gz ZZRRBWZJJKBCQG-IYXRBSQSSA-N 2 2 346.435 1.477 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1)C1CC1 ZINC000999377733 706872053 /nfs/dbraw/zinc/87/20/53/706872053.db2.gz WYPFIJOPGAMXIF-GDBMZVCRSA-N 2 2 347.463 1.368 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999385441 706898120 /nfs/dbraw/zinc/89/81/20/706898120.db2.gz NRAQROZVKPHJQR-PESDSKBTSA-N 2 2 342.447 1.342 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)c[nH+]1 ZINC000999465295 706972836 /nfs/dbraw/zinc/97/28/36/706972836.db2.gz GURYLLNDVVGKGG-MRXNPFEDSA-N 2 2 344.463 1.404 20 0 EDADLP CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999467581 706975708 /nfs/dbraw/zinc/97/57/08/706975708.db2.gz BZKFDFHPRUVNPP-UHFFFAOYSA-N 2 2 331.420 1.843 20 0 EDADLP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999471324 706980169 /nfs/dbraw/zinc/98/01/69/706980169.db2.gz CHMALBZEHVKIQV-UHFFFAOYSA-N 2 2 331.420 1.590 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)o1 ZINC000999549549 707048972 /nfs/dbraw/zinc/04/89/72/707048972.db2.gz UAEXKGGZJZXNCW-HUUCEWRRSA-N 2 2 343.431 1.523 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999687722 707241478 /nfs/dbraw/zinc/24/14/78/707241478.db2.gz HNMMBHNGVCIAQH-UHFFFAOYSA-N 2 2 343.431 1.607 20 0 EDADLP C[C@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1)c1ncccn1 ZINC000999689861 707245562 /nfs/dbraw/zinc/24/55/62/707245562.db2.gz SISFFUJGNCZYJV-HSBZDZAISA-N 2 2 328.420 1.093 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nnc(C)s2)C1 ZINC000999712861 707309310 /nfs/dbraw/zinc/30/93/10/707309310.db2.gz IGFOQAGRKGKFEM-GXTWGEPZSA-N 2 2 348.476 1.693 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946786663 707335902 /nfs/dbraw/zinc/33/59/02/707335902.db2.gz NRLSCTZREJPPOD-QKPAOTATSA-N 2 2 334.439 1.664 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946786663 707335906 /nfs/dbraw/zinc/33/59/06/707335906.db2.gz NRLSCTZREJPPOD-QKPAOTATSA-N 2 2 334.439 1.664 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)n1 ZINC000999778283 707339285 /nfs/dbraw/zinc/33/92/85/707339285.db2.gz XBXVEODDVJBHAV-AWEZNQCLSA-N 2 2 347.488 1.898 20 0 EDADLP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033184897 707367515 /nfs/dbraw/zinc/36/75/15/707367515.db2.gz LRAJGWOEBQEQAQ-FHLIZLRMSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033184897 707367521 /nfs/dbraw/zinc/36/75/21/707367521.db2.gz LRAJGWOEBQEQAQ-FHLIZLRMSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033184897 707367526 /nfs/dbraw/zinc/36/75/26/707367526.db2.gz LRAJGWOEBQEQAQ-FHLIZLRMSA-N 2 2 346.475 1.142 20 0 EDADLP CC(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999799770 707371086 /nfs/dbraw/zinc/37/10/86/707371086.db2.gz LQQWAIACMDYUMO-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999799770 707371090 /nfs/dbraw/zinc/37/10/90/707371090.db2.gz LQQWAIACMDYUMO-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nnsc2Cl)C1 ZINC000999837548 707408619 /nfs/dbraw/zinc/40/86/19/707408619.db2.gz PKYCUCSBVGCYIV-WHXUTIOJSA-N 2 2 343.884 1.222 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2nnsc2Cl)C1 ZINC000999837548 707408622 /nfs/dbraw/zinc/40/86/22/707408622.db2.gz PKYCUCSBVGCYIV-WHXUTIOJSA-N 2 2 343.884 1.222 20 0 EDADLP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC000999837916 707409173 /nfs/dbraw/zinc/40/91/73/707409173.db2.gz UAERBWAWKRFGJV-QGZVFWFLSA-N 2 2 344.463 1.313 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC000999833522 707464830 /nfs/dbraw/zinc/46/48/30/707464830.db2.gz LNRUWUDOHWVIQA-UHFFFAOYSA-N 2 2 349.479 1.542 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC001033317774 707506392 /nfs/dbraw/zinc/50/63/92/707506392.db2.gz DFTRDHQEKHZMQP-QGZVFWFLSA-N 2 2 345.491 1.692 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC001033317774 707506396 /nfs/dbraw/zinc/50/63/96/707506396.db2.gz DFTRDHQEKHZMQP-QGZVFWFLSA-N 2 2 345.491 1.692 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC001033319088 707515026 /nfs/dbraw/zinc/51/50/26/707515026.db2.gz OQBUZEVRMQIVPG-OAHLLOKOSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC001033319088 707515031 /nfs/dbraw/zinc/51/50/31/707515031.db2.gz OQBUZEVRMQIVPG-OAHLLOKOSA-N 2 2 334.464 1.890 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)o1 ZINC001032733904 707748754 /nfs/dbraw/zinc/74/87/54/707748754.db2.gz MIDMYBSEZXLBCN-GJZGRUSLSA-N 2 2 344.459 1.426 20 0 EDADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)o1 ZINC001032733904 707748756 /nfs/dbraw/zinc/74/87/56/707748756.db2.gz MIDMYBSEZXLBCN-GJZGRUSLSA-N 2 2 344.459 1.426 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033391242 707767144 /nfs/dbraw/zinc/76/71/44/707767144.db2.gz PSORYULKGMWCSG-OAHLLOKOSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033391242 707767148 /nfs/dbraw/zinc/76/71/48/707767148.db2.gz PSORYULKGMWCSG-OAHLLOKOSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)on1 ZINC001004975772 707808990 /nfs/dbraw/zinc/80/89/90/707808990.db2.gz LJJNVDVTXVEHEH-RHSMWYFYSA-N 2 2 345.447 1.818 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001032754870 707837052 /nfs/dbraw/zinc/83/70/52/707837052.db2.gz UCBZQYBYUQYACY-BQFCYCMXSA-N 2 2 346.475 1.751 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)on1 ZINC001033423336 707838631 /nfs/dbraw/zinc/83/86/31/707838631.db2.gz MUYBFEBHLCPKSR-UONOGXRCSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)on1 ZINC001033423336 707838635 /nfs/dbraw/zinc/83/86/35/707838635.db2.gz MUYBFEBHLCPKSR-UONOGXRCSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)on1 ZINC001033423336 707838639 /nfs/dbraw/zinc/83/86/39/707838639.db2.gz MUYBFEBHLCPKSR-UONOGXRCSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)on1 ZINC001033423336 707838644 /nfs/dbraw/zinc/83/86/44/707838644.db2.gz MUYBFEBHLCPKSR-UONOGXRCSA-N 2 2 336.436 1.200 20 0 EDADLP Cc1nonc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001004989673 707849032 /nfs/dbraw/zinc/84/90/32/707849032.db2.gz GQFQJTPKQKLVSU-CJNGLKHVSA-N 2 2 346.435 1.442 20 0 EDADLP C[C@@H]([NH2+]Cc1cnsn1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982075 707860730 /nfs/dbraw/zinc/86/07/30/707860730.db2.gz OQPASMDWDRDAPS-UKRRQHHQSA-N 2 2 349.504 1.493 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccc(F)c(F)c1 ZINC001032783917 707977214 /nfs/dbraw/zinc/97/72/14/707977214.db2.gz YFPFPFSTLALWFP-HOTGVXAUSA-N 2 2 349.425 1.888 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccc(F)c(F)c1 ZINC001032783917 707977217 /nfs/dbraw/zinc/97/72/17/707977217.db2.gz YFPFPFSTLALWFP-HOTGVXAUSA-N 2 2 349.425 1.888 20 0 EDADLP Cc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801444 708082895 /nfs/dbraw/zinc/08/28/95/708082895.db2.gz WQHVDYLRKGAPHX-IRXDYDNUSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801444 708082897 /nfs/dbraw/zinc/08/28/97/708082897.db2.gz WQHVDYLRKGAPHX-IRXDYDNUSA-N 2 2 332.448 1.644 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033586185 708276792 /nfs/dbraw/zinc/27/67/92/708276792.db2.gz RZFLLVJZECGRGO-CQSZACIVSA-N 2 2 342.447 1.228 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033586185 708276793 /nfs/dbraw/zinc/27/67/93/708276793.db2.gz RZFLLVJZECGRGO-CQSZACIVSA-N 2 2 342.447 1.228 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033586592 708277105 /nfs/dbraw/zinc/27/71/05/708277105.db2.gz XKCRUBPEVQCQDH-CQSZACIVSA-N 2 2 342.447 1.228 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033586592 708277108 /nfs/dbraw/zinc/27/71/08/708277108.db2.gz XKCRUBPEVQCQDH-CQSZACIVSA-N 2 2 342.447 1.228 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001033666259 708450910 /nfs/dbraw/zinc/45/09/10/708450910.db2.gz VKKIPTRGVXHKQU-CZUORRHYSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001033666259 708450912 /nfs/dbraw/zinc/45/09/12/708450912.db2.gz VKKIPTRGVXHKQU-CZUORRHYSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC001033666259 708450913 /nfs/dbraw/zinc/45/09/13/708450913.db2.gz VKKIPTRGVXHKQU-CZUORRHYSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC001033666259 708450914 /nfs/dbraw/zinc/45/09/14/708450914.db2.gz VKKIPTRGVXHKQU-CZUORRHYSA-N 2 2 337.414 1.949 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001033702389 708529962 /nfs/dbraw/zinc/52/99/62/708529962.db2.gz NCNSQTDKYYUNPB-INIZCTEOSA-N 2 2 328.416 1.625 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001033702389 708529963 /nfs/dbraw/zinc/52/99/63/708529963.db2.gz NCNSQTDKYYUNPB-INIZCTEOSA-N 2 2 328.416 1.625 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033703987 708532771 /nfs/dbraw/zinc/53/27/71/708532771.db2.gz LXMYITQAJNQRKK-QGZVFWFLSA-N 2 2 334.464 1.623 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC001033703987 708532773 /nfs/dbraw/zinc/53/27/73/708532773.db2.gz LXMYITQAJNQRKK-QGZVFWFLSA-N 2 2 334.464 1.623 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033708397 708541354 /nfs/dbraw/zinc/54/13/54/708541354.db2.gz ZKHNZAIOKCSMFM-AWEZNQCLSA-N 2 2 331.420 1.475 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033708397 708541355 /nfs/dbraw/zinc/54/13/55/708541355.db2.gz ZKHNZAIOKCSMFM-AWEZNQCLSA-N 2 2 331.420 1.475 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC001002121644 708636008 /nfs/dbraw/zinc/63/60/08/708636008.db2.gz SXLOHHFPZTUQEH-INIZCTEOSA-N 2 2 331.464 1.065 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001002121644 708636011 /nfs/dbraw/zinc/63/60/11/708636011.db2.gz SXLOHHFPZTUQEH-INIZCTEOSA-N 2 2 331.464 1.065 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)C3CC[NH+](CCCO)CC3)ccn12 ZINC001005394491 708872794 /nfs/dbraw/zinc/87/27/94/708872794.db2.gz FTTVOWPTKOHTCA-UHFFFAOYSA-N 2 2 330.432 1.562 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001005406922 708936713 /nfs/dbraw/zinc/93/67/13/708936713.db2.gz LKSJDYGEMBPFFJ-DVOMOZLQSA-N 2 2 349.479 1.702 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001005406922 708936715 /nfs/dbraw/zinc/93/67/15/708936715.db2.gz LKSJDYGEMBPFFJ-DVOMOZLQSA-N 2 2 349.479 1.702 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC001002442947 708962281 /nfs/dbraw/zinc/96/22/81/708962281.db2.gz BQJFCQDRYALVTH-HNNXBMFYSA-N 2 2 336.867 1.910 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC001002442947 708962282 /nfs/dbraw/zinc/96/22/82/708962282.db2.gz BQJFCQDRYALVTH-HNNXBMFYSA-N 2 2 336.867 1.910 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001002463274 708988898 /nfs/dbraw/zinc/98/88/98/708988898.db2.gz WUVKKBSEUBWPRB-UKRRQHHQSA-N 2 2 349.479 1.929 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001002463274 708988901 /nfs/dbraw/zinc/98/89/01/708988901.db2.gz WUVKKBSEUBWPRB-UKRRQHHQSA-N 2 2 349.479 1.929 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033927826 709058683 /nfs/dbraw/zinc/05/86/83/709058683.db2.gz QPZIIGMCVMSUBU-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033927826 709058687 /nfs/dbraw/zinc/05/86/87/709058687.db2.gz QPZIIGMCVMSUBU-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033927826 709058689 /nfs/dbraw/zinc/05/86/89/709058689.db2.gz QPZIIGMCVMSUBU-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033927826 709058692 /nfs/dbraw/zinc/05/86/92/709058692.db2.gz QPZIIGMCVMSUBU-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CCc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034140312 709390929 /nfs/dbraw/zinc/39/09/29/709390929.db2.gz YUIBEAIAWBDOJG-DOTOQJQBSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1nocc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034140312 709390932 /nfs/dbraw/zinc/39/09/32/709390932.db2.gz YUIBEAIAWBDOJG-DOTOQJQBSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1nocc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034140312 709390935 /nfs/dbraw/zinc/39/09/35/709390935.db2.gz YUIBEAIAWBDOJG-DOTOQJQBSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1nocc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034140312 709390937 /nfs/dbraw/zinc/39/09/37/709390937.db2.gz YUIBEAIAWBDOJG-DOTOQJQBSA-N 2 2 334.464 1.802 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC001002832897 709443764 /nfs/dbraw/zinc/44/37/64/709443764.db2.gz NABNCSSUVXSVCA-KRWDZBQOSA-N 2 2 332.448 1.405 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001002860262 709468524 /nfs/dbraw/zinc/46/85/24/709468524.db2.gz KFESJOBDGMRDHG-LALPHHSUSA-N 2 2 335.452 1.360 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001002860262 709468525 /nfs/dbraw/zinc/46/85/25/709468525.db2.gz KFESJOBDGMRDHG-LALPHHSUSA-N 2 2 335.452 1.360 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](Cc2nccs2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034208136 709556631 /nfs/dbraw/zinc/55/66/31/709556631.db2.gz QVTRXRQWYKYISS-HZPDHXFCSA-N 2 2 348.516 1.956 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](Cc2nccs2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034208136 709556634 /nfs/dbraw/zinc/55/66/34/709556634.db2.gz QVTRXRQWYKYISS-HZPDHXFCSA-N 2 2 348.516 1.956 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001002954606 709654914 /nfs/dbraw/zinc/65/49/14/709654914.db2.gz GAMBMVQYGOFBED-KRWDZBQOSA-N 2 2 348.495 1.253 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001002954606 709654916 /nfs/dbraw/zinc/65/49/16/709654916.db2.gz GAMBMVQYGOFBED-KRWDZBQOSA-N 2 2 348.495 1.253 20 0 EDADLP Cc1nocc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034270829 709676719 /nfs/dbraw/zinc/67/67/19/709676719.db2.gz ITFDMFJJTOTPAZ-SJORKVTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1nocc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034270829 709676721 /nfs/dbraw/zinc/67/67/21/709676721.db2.gz ITFDMFJJTOTPAZ-SJORKVTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1nocc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034270829 709676724 /nfs/dbraw/zinc/67/67/24/709676724.db2.gz ITFDMFJJTOTPAZ-SJORKVTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034270829 709676726 /nfs/dbraw/zinc/67/67/26/709676726.db2.gz ITFDMFJJTOTPAZ-SJORKVTESA-N 2 2 334.464 1.938 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)C1 ZINC001003006370 709774735 /nfs/dbraw/zinc/77/47/35/709774735.db2.gz AKTVDQRIXMXZEF-INIZCTEOSA-N 2 2 347.507 1.479 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)C1 ZINC001003006370 709774740 /nfs/dbraw/zinc/77/47/40/709774740.db2.gz AKTVDQRIXMXZEF-INIZCTEOSA-N 2 2 347.507 1.479 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCCc4[nH+]ccn43)CC2)on1 ZINC001003015227 709801081 /nfs/dbraw/zinc/80/10/81/709801081.db2.gz BWUAIOCUEKKANM-MRXNPFEDSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC001061229507 709822394 /nfs/dbraw/zinc/82/23/94/709822394.db2.gz CDWCVGVFHHGNPD-KRWDZBQOSA-N 2 2 345.491 1.944 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](CCF)C1)c1cc(C[NH+]2CCCC2)on1 ZINC001034404082 709951583 /nfs/dbraw/zinc/95/15/83/709951583.db2.gz GBPHPTUTSURLND-AWEZNQCLSA-N 2 2 338.427 1.824 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](CCF)C1)c1cc(C[NH+]2CCCC2)on1 ZINC001034404082 709951584 /nfs/dbraw/zinc/95/15/84/709951584.db2.gz GBPHPTUTSURLND-AWEZNQCLSA-N 2 2 338.427 1.824 20 0 EDADLP Cn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001034431835 710000297 /nfs/dbraw/zinc/00/02/97/710000297.db2.gz PHPOIQAXCKLRDX-QGZVFWFLSA-N 2 2 347.507 1.623 20 0 EDADLP Cn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001034431835 710000302 /nfs/dbraw/zinc/00/03/02/710000302.db2.gz PHPOIQAXCKLRDX-QGZVFWFLSA-N 2 2 347.507 1.623 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001003179537 710095546 /nfs/dbraw/zinc/09/55/46/710095546.db2.gz IIPWFWAPZUSLJT-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001034484180 710128623 /nfs/dbraw/zinc/12/86/23/710128623.db2.gz JREXVACDQRNKEM-CQSZACIVSA-N 2 2 340.418 1.979 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001034484180 710128625 /nfs/dbraw/zinc/12/86/25/710128625.db2.gz JREXVACDQRNKEM-CQSZACIVSA-N 2 2 340.418 1.979 20 0 EDADLP C[C@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034489368 710138697 /nfs/dbraw/zinc/13/86/97/710138697.db2.gz BSUFYVWACFBYBW-CVEARBPZSA-N 2 2 343.475 1.604 20 0 EDADLP C[C@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034489368 710138700 /nfs/dbraw/zinc/13/87/00/710138700.db2.gz BSUFYVWACFBYBW-CVEARBPZSA-N 2 2 343.475 1.604 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001034530380 710186861 /nfs/dbraw/zinc/18/68/61/710186861.db2.gz WTHDNBOMNBHIRH-INIZCTEOSA-N 2 2 344.463 1.579 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001034530380 710186862 /nfs/dbraw/zinc/18/68/62/710186862.db2.gz WTHDNBOMNBHIRH-INIZCTEOSA-N 2 2 344.463 1.579 20 0 EDADLP COc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547554 710222064 /nfs/dbraw/zinc/22/20/64/710222064.db2.gz VAIXYWYYSDWMQE-INIZCTEOSA-N 2 2 343.431 1.458 20 0 EDADLP COc1ccc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547554 710222065 /nfs/dbraw/zinc/22/20/65/710222065.db2.gz VAIXYWYYSDWMQE-INIZCTEOSA-N 2 2 343.431 1.458 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC001034607346 710271162 /nfs/dbraw/zinc/27/11/62/710271162.db2.gz LQFWPTQSVZCPDG-RBSFLKMASA-N 2 2 347.463 1.558 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC001034607346 710271165 /nfs/dbraw/zinc/27/11/65/710271165.db2.gz LQFWPTQSVZCPDG-RBSFLKMASA-N 2 2 347.463 1.558 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001032839475 710281715 /nfs/dbraw/zinc/28/17/15/710281715.db2.gz BSWVOCKUQCSCDR-RDBSUJKOSA-N 2 2 331.407 1.085 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001032839475 710281718 /nfs/dbraw/zinc/28/17/18/710281718.db2.gz BSWVOCKUQCSCDR-RDBSUJKOSA-N 2 2 331.407 1.085 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001032839475 710281720 /nfs/dbraw/zinc/28/17/20/710281720.db2.gz BSWVOCKUQCSCDR-RDBSUJKOSA-N 2 2 331.407 1.085 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001032839475 710281723 /nfs/dbraw/zinc/28/17/23/710281723.db2.gz BSWVOCKUQCSCDR-RDBSUJKOSA-N 2 2 331.407 1.085 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034665684 710334636 /nfs/dbraw/zinc/33/46/36/710334636.db2.gz PROVHAMISOEXBJ-SMLCLMEVSA-N 2 2 346.475 1.957 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034665684 710334638 /nfs/dbraw/zinc/33/46/38/710334638.db2.gz PROVHAMISOEXBJ-SMLCLMEVSA-N 2 2 346.475 1.957 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccon3)CC2)C1 ZINC001003481969 710368691 /nfs/dbraw/zinc/36/86/91/710368691.db2.gz OELZHGPZSPOZCK-HNNXBMFYSA-N 2 2 334.464 1.877 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccon3)CC2)C1 ZINC001003481969 710368692 /nfs/dbraw/zinc/36/86/92/710368692.db2.gz OELZHGPZSPOZCK-HNNXBMFYSA-N 2 2 334.464 1.877 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003493544 710376168 /nfs/dbraw/zinc/37/61/68/710376168.db2.gz WJFLHYLPRLBDPP-JYJNAYRXSA-N 2 2 345.491 1.849 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003493544 710376169 /nfs/dbraw/zinc/37/61/69/710376169.db2.gz WJFLHYLPRLBDPP-JYJNAYRXSA-N 2 2 345.491 1.849 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3nnc(C)o3)CC2)C1 ZINC001003482782 710377125 /nfs/dbraw/zinc/37/71/25/710377125.db2.gz LGUQKIHDDIIHCK-OAHLLOKOSA-N 2 2 349.479 1.581 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3nnc(C)o3)CC2)C1 ZINC001003482782 710377126 /nfs/dbraw/zinc/37/71/26/710377126.db2.gz LGUQKIHDDIIHCK-OAHLLOKOSA-N 2 2 349.479 1.581 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC001003508947 710390053 /nfs/dbraw/zinc/39/00/53/710390053.db2.gz VNZBSDHJOUISBR-YDHLFZDLSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC001003508947 710390055 /nfs/dbraw/zinc/39/00/55/710390055.db2.gz VNZBSDHJOUISBR-YDHLFZDLSA-N 2 2 349.479 1.750 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000922204901 710421971 /nfs/dbraw/zinc/42/19/71/710421971.db2.gz IAIMHDFWHMUMGP-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000922204901 710421973 /nfs/dbraw/zinc/42/19/73/710421973.db2.gz IAIMHDFWHMUMGP-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001003606060 710446536 /nfs/dbraw/zinc/44/65/36/710446536.db2.gz GKALPOQEAGMACN-HNNXBMFYSA-N 2 2 342.447 1.307 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003626393 710455579 /nfs/dbraw/zinc/45/55/79/710455579.db2.gz NZUJQWPCCDGTNJ-CQSZACIVSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003626393 710455580 /nfs/dbraw/zinc/45/55/80/710455580.db2.gz NZUJQWPCCDGTNJ-CQSZACIVSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nncc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003629274 710458941 /nfs/dbraw/zinc/45/89/41/710458941.db2.gz YPJCDWRKJRYDPH-UHFFFAOYSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1nncc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003629274 710458944 /nfs/dbraw/zinc/45/89/44/710458944.db2.gz YPJCDWRKJRYDPH-UHFFFAOYSA-N 2 2 348.495 1.111 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003630718 710460114 /nfs/dbraw/zinc/46/01/14/710460114.db2.gz NSBFVJYGYIYCLW-CABCVRRESA-N 2 2 331.464 1.460 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003630718 710460115 /nfs/dbraw/zinc/46/01/15/710460115.db2.gz NSBFVJYGYIYCLW-CABCVRRESA-N 2 2 331.464 1.460 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001003738104 710519193 /nfs/dbraw/zinc/51/91/93/710519193.db2.gz WEDINYNUBAXBDD-SFHVURJKSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001003738104 710519194 /nfs/dbraw/zinc/51/91/94/710519194.db2.gz WEDINYNUBAXBDD-SFHVURJKSA-N 2 2 347.507 1.764 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001003776152 710545179 /nfs/dbraw/zinc/54/51/79/710545179.db2.gz JBUMYFWWDNHBDE-IAGOWNOFSA-N 2 2 332.448 1.772 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001003776152 710545182 /nfs/dbraw/zinc/54/51/82/710545182.db2.gz JBUMYFWWDNHBDE-IAGOWNOFSA-N 2 2 332.448 1.772 20 0 EDADLP CCc1nc(N2CC[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001061773495 710642857 /nfs/dbraw/zinc/64/28/57/710642857.db2.gz DHFHUPAIQZVRSL-HZPDHXFCSA-N 2 2 345.491 1.774 20 0 EDADLP CCc1nc(N2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001061773495 710642860 /nfs/dbraw/zinc/64/28/60/710642860.db2.gz DHFHUPAIQZVRSL-HZPDHXFCSA-N 2 2 345.491 1.774 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)co1 ZINC001005591169 710647327 /nfs/dbraw/zinc/64/73/27/710647327.db2.gz FPVBMTQBFGAFRJ-KRWDZBQOSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)co1 ZINC001005591169 710647332 /nfs/dbraw/zinc/64/73/32/710647332.db2.gz FPVBMTQBFGAFRJ-KRWDZBQOSA-N 2 2 334.464 1.890 20 0 EDADLP COc1cccc(C[NH+]2CC(N(C)C(=O)C[NH+]3CCCC3)C2)c1C ZINC001044296937 710684897 /nfs/dbraw/zinc/68/48/97/710684897.db2.gz SEZLZFPKBDJLNY-UHFFFAOYSA-N 2 2 331.460 1.742 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000922292047 710728143 /nfs/dbraw/zinc/72/81/43/710728143.db2.gz QXBFDTRMCQFQSX-GTPINHCMSA-N 2 2 338.496 1.413 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001032967564 711028523 /nfs/dbraw/zinc/02/85/23/711028523.db2.gz IUFOOZKGIXPWLP-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001032967564 711028528 /nfs/dbraw/zinc/02/85/28/711028528.db2.gz IUFOOZKGIXPWLP-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC001032967564 711028532 /nfs/dbraw/zinc/02/85/32/711028532.db2.gz IUFOOZKGIXPWLP-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC001032967564 711028537 /nfs/dbraw/zinc/02/85/37/711028537.db2.gz IUFOOZKGIXPWLP-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)c(C)o1 ZINC001034764928 711041600 /nfs/dbraw/zinc/04/16/00/711041600.db2.gz ZCDXMCXHYXMVEB-HDJSIYSDSA-N 2 2 331.420 1.774 20 0 EDADLP C[C@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)O1 ZINC001034778424 711080144 /nfs/dbraw/zinc/08/01/44/711080144.db2.gz SAUGQPKDFDNFAE-QBYUYEEZSA-N 2 2 334.464 1.547 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001005713462 711106021 /nfs/dbraw/zinc/10/60/21/711106021.db2.gz QTNAVANAKFRVMQ-AWEZNQCLSA-N 2 2 330.432 1.906 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001034801266 711140927 /nfs/dbraw/zinc/14/09/27/711140927.db2.gz JKGLEZMVOOEEPR-NBOOPKSLSA-N 2 2 332.448 1.327 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)o1 ZINC001034831356 711237379 /nfs/dbraw/zinc/23/73/79/711237379.db2.gz PXHIHFWUYGVJBB-MRXNPFEDSA-N 2 2 343.431 1.236 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)o1 ZINC001034831356 711237381 /nfs/dbraw/zinc/23/73/81/711237381.db2.gz PXHIHFWUYGVJBB-MRXNPFEDSA-N 2 2 343.431 1.236 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001004053324 711375166 /nfs/dbraw/zinc/37/51/66/711375166.db2.gz OLDROPWRYBINOJ-UHFFFAOYSA-N 2 2 334.464 1.658 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004146756 711557424 /nfs/dbraw/zinc/55/74/24/711557424.db2.gz AFUFKLWVFAAALN-STQMWFEESA-N 2 2 335.452 1.225 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004146756 711557426 /nfs/dbraw/zinc/55/74/26/711557426.db2.gz AFUFKLWVFAAALN-STQMWFEESA-N 2 2 335.452 1.225 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@@H]2CCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001004594502 712033523 /nfs/dbraw/zinc/03/35/23/712033523.db2.gz ZKMTWQLTFXLKFX-WBVHZDCISA-N 2 2 346.475 1.692 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001004594502 712033525 /nfs/dbraw/zinc/03/35/25/712033525.db2.gz ZKMTWQLTFXLKFX-WBVHZDCISA-N 2 2 346.475 1.692 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033153645 712177229 /nfs/dbraw/zinc/17/72/29/712177229.db2.gz WLEKHYYUTUAUJK-JKSUJKDBSA-N 2 2 342.447 1.227 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033153645 712177232 /nfs/dbraw/zinc/17/72/32/712177232.db2.gz WLEKHYYUTUAUJK-JKSUJKDBSA-N 2 2 342.447 1.227 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376745476 282214850 /nfs/dbraw/zinc/21/48/50/282214850.db2.gz FMXFUOPJHNAKGZ-HLLBOEOZSA-N 2 2 349.479 1.332 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1cccs1 ZINC000348888086 282241501 /nfs/dbraw/zinc/24/15/01/282241501.db2.gz ZIWWFYUSITVBAN-HZSPNIEDSA-N 2 2 338.477 1.075 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1cccs1 ZINC000348888086 282241505 /nfs/dbraw/zinc/24/15/05/282241505.db2.gz ZIWWFYUSITVBAN-HZSPNIEDSA-N 2 2 338.477 1.075 20 0 EDADLP O=C(CC[NH2+][C@H]1CC[C@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000348055499 539330488 /nfs/dbraw/zinc/33/04/88/539330488.db2.gz ADDBVCGDIDIBRX-IRXDYDNUSA-N 2 2 328.460 1.899 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)cn1 ZINC000173953084 529930191 /nfs/dbraw/zinc/93/01/91/529930191.db2.gz DUYSOEINYBBVPH-DOTOQJQBSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)cn1 ZINC000173953084 529930193 /nfs/dbraw/zinc/93/01/93/529930193.db2.gz DUYSOEINYBBVPH-DOTOQJQBSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+](C)CC[C@@H]3CCCC[N@@H+]3C)C2=O)cn1 ZINC000173953084 529930194 /nfs/dbraw/zinc/93/01/94/529930194.db2.gz DUYSOEINYBBVPH-DOTOQJQBSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+](C)CC[C@@H]3CCCC[N@H+]3C)C2=O)cn1 ZINC000173953084 529930195 /nfs/dbraw/zinc/93/01/95/529930195.db2.gz DUYSOEINYBBVPH-DOTOQJQBSA-N 2 2 333.480 1.722 20 0 EDADLP C[N@H+](CCCCNc1nc(NCCO)c2ccccc2[nH+]1)C1CC1 ZINC000560831650 306280098 /nfs/dbraw/zinc/28/00/98/306280098.db2.gz SJPOQSSYSIHUBZ-UHFFFAOYSA-N 2 2 329.448 1.164 20 0 EDADLP C[N@@H+](CCCCNc1nc(NCCO)c2ccccc2[nH+]1)C1CC1 ZINC000560831650 306280099 /nfs/dbraw/zinc/28/00/99/306280099.db2.gz SJPOQSSYSIHUBZ-UHFFFAOYSA-N 2 2 329.448 1.164 20 0 EDADLP OCCn1ncc2c1CCC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000326632091 539591659 /nfs/dbraw/zinc/59/16/59/539591659.db2.gz SNATYHMJDHNTJB-KRWDZBQOSA-N 2 2 341.459 1.906 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246617438 535069617 /nfs/dbraw/zinc/06/96/17/535069617.db2.gz MJJSWFVQSQJOSP-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H]([NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000334031045 539665509 /nfs/dbraw/zinc/66/55/09/539665509.db2.gz LAENQPFSSQVNJB-BBWFWOEESA-N 2 2 345.491 1.748 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C[C@@H](C)O1 ZINC000573788959 539838848 /nfs/dbraw/zinc/83/88/48/539838848.db2.gz FMXDTULDVCKXNG-XLMAVXFVSA-N 2 2 335.448 1.005 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C[C@@H](C)O1 ZINC000573788959 539838851 /nfs/dbraw/zinc/83/88/51/539838851.db2.gz FMXDTULDVCKXNG-XLMAVXFVSA-N 2 2 335.448 1.005 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000562758038 306308084 /nfs/dbraw/zinc/30/80/84/306308084.db2.gz WWIGGKIFMPPTGX-UHFFFAOYSA-N 2 2 343.431 1.530 20 0 EDADLP CCc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc(C)[nH+]1 ZINC000359727601 539993519 /nfs/dbraw/zinc/99/35/19/539993519.db2.gz IGMGNZVYXWDQNK-UHFFFAOYSA-N 3 2 340.475 1.789 20 0 EDADLP COC1CCC(C)(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563003607 306315755 /nfs/dbraw/zinc/31/57/55/306315755.db2.gz URVWLAFJLBNYHA-VBWXLCSBSA-N 2 2 328.497 1.641 20 0 EDADLP COC1CCC(C)(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563003607 306315756 /nfs/dbraw/zinc/31/57/56/306315756.db2.gz URVWLAFJLBNYHA-VBWXLCSBSA-N 2 2 328.497 1.641 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2nn(C)c3ccccc23)C[C@H](C)O1 ZINC000563014511 306315995 /nfs/dbraw/zinc/31/59/95/306315995.db2.gz XJJJHQSRYITUKS-XHSDSOJGSA-N 2 2 346.475 1.176 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2nn(C)c3ccccc23)C[C@H](C)O1 ZINC000563014511 306315996 /nfs/dbraw/zinc/31/59/96/306315996.db2.gz XJJJHQSRYITUKS-XHSDSOJGSA-N 2 2 346.475 1.176 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494943157 540052558 /nfs/dbraw/zinc/05/25/58/540052558.db2.gz UJILUZFLEBDASB-CQSZACIVSA-N 2 2 334.489 1.759 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494943157 540052560 /nfs/dbraw/zinc/05/25/60/540052560.db2.gz UJILUZFLEBDASB-CQSZACIVSA-N 2 2 334.489 1.759 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166097500 540074570 /nfs/dbraw/zinc/07/45/70/540074570.db2.gz AHEFJHFGQWRZMV-JKSUJKDBSA-N 2 2 337.489 1.653 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166097500 540074574 /nfs/dbraw/zinc/07/45/74/540074574.db2.gz AHEFJHFGQWRZMV-JKSUJKDBSA-N 2 2 337.489 1.653 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000047597217 138121957 /nfs/dbraw/zinc/12/19/57/138121957.db2.gz YHEKRXYZGBRMFJ-UHFFFAOYSA-N 2 2 327.432 1.631 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000047597217 138121959 /nfs/dbraw/zinc/12/19/59/138121959.db2.gz YHEKRXYZGBRMFJ-UHFFFAOYSA-N 2 2 327.432 1.631 20 0 EDADLP CCCNC(=O)[C@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534552 138179306 /nfs/dbraw/zinc/17/93/06/138179306.db2.gz SZEGPRHOLDMUFO-SFHVURJKSA-N 2 2 346.519 1.651 20 0 EDADLP CCCNC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534552 138179307 /nfs/dbraw/zinc/17/93/07/138179307.db2.gz SZEGPRHOLDMUFO-SFHVURJKSA-N 2 2 346.519 1.651 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000413086615 304057675 /nfs/dbraw/zinc/05/76/75/304057675.db2.gz SDXWRNKLVIHDAD-KRWDZBQOSA-N 2 2 341.459 1.867 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000413086615 304057676 /nfs/dbraw/zinc/05/76/76/304057676.db2.gz SDXWRNKLVIHDAD-KRWDZBQOSA-N 2 2 341.459 1.867 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000563559457 306338798 /nfs/dbraw/zinc/33/87/98/306338798.db2.gz LILUKXOVSHRQGW-HFZWIWRYSA-N 2 2 331.464 1.577 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000563559574 306338869 /nfs/dbraw/zinc/33/88/69/306338869.db2.gz ZAUODYKVDMFCBF-OAHLLOKOSA-N 2 2 332.448 1.022 20 0 EDADLP COc1ccc(OC)c(C[N@H+](CC(=O)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000093157738 138292448 /nfs/dbraw/zinc/29/24/48/138292448.db2.gz LWXIXIVKRPPHSI-UHFFFAOYSA-N 2 2 347.459 1.442 20 0 EDADLP COc1ccc(OC)c(C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000093157738 138292449 /nfs/dbraw/zinc/29/24/49/138292449.db2.gz LWXIXIVKRPPHSI-UHFFFAOYSA-N 2 2 347.459 1.442 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccccc3C)C2)CC1 ZINC000107371679 138304077 /nfs/dbraw/zinc/30/40/77/138304077.db2.gz BCSYDCMCISPNHA-KRWDZBQOSA-N 2 2 330.476 1.645 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3C)C2)CC1 ZINC000107371679 138304078 /nfs/dbraw/zinc/30/40/78/138304078.db2.gz BCSYDCMCISPNHA-KRWDZBQOSA-N 2 2 330.476 1.645 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)O1 ZINC000413399991 304060168 /nfs/dbraw/zinc/06/01/68/304060168.db2.gz JUQNJIKMCXFMDJ-QLFBSQMISA-N 2 2 326.485 1.125 20 0 EDADLP CCOCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124522875 138327473 /nfs/dbraw/zinc/32/74/73/138327473.db2.gz DPVFOPDEYPPBLA-DLBZAZTESA-N 2 2 325.497 1.819 20 0 EDADLP CCOCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124522875 138327474 /nfs/dbraw/zinc/32/74/74/138327474.db2.gz DPVFOPDEYPPBLA-DLBZAZTESA-N 2 2 325.497 1.819 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)CC[N@@H+]1C ZINC000123895202 138322178 /nfs/dbraw/zinc/32/21/78/138322178.db2.gz NTTUCLXAMSQJTL-PVAVHDDUSA-N 2 2 331.460 1.521 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)CC[N@H+]1C ZINC000123895202 138322179 /nfs/dbraw/zinc/32/21/79/138322179.db2.gz NTTUCLXAMSQJTL-PVAVHDDUSA-N 2 2 331.460 1.521 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000123895202 138322180 /nfs/dbraw/zinc/32/21/80/138322180.db2.gz NTTUCLXAMSQJTL-PVAVHDDUSA-N 2 2 331.460 1.521 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)CC[NH+]1C ZINC000123895202 138322181 /nfs/dbraw/zinc/32/21/81/138322181.db2.gz NTTUCLXAMSQJTL-PVAVHDDUSA-N 2 2 331.460 1.521 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000133580008 138395850 /nfs/dbraw/zinc/39/58/50/138395850.db2.gz YOBJCFPJSFOHRG-IRXDYDNUSA-N 3 2 332.496 1.061 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000133580008 138395852 /nfs/dbraw/zinc/39/58/52/138395852.db2.gz YOBJCFPJSFOHRG-IRXDYDNUSA-N 3 2 332.496 1.061 20 0 EDADLP CSC1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[NH+](C)CC1 ZINC000563661587 306343971 /nfs/dbraw/zinc/34/39/71/306343971.db2.gz HESZOOVDAVKYQE-ZDUSSCGKSA-N 2 2 337.493 1.325 20 0 EDADLP CN(C)[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1c(F)cccc1F ZINC000563706166 306345631 /nfs/dbraw/zinc/34/56/31/306345631.db2.gz GKOZDXPUFZRNBI-CZUORRHYSA-N 2 2 327.419 1.612 20 0 EDADLP CN(C)[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1c(F)cccc1F ZINC000563706166 306345632 /nfs/dbraw/zinc/34/56/32/306345632.db2.gz GKOZDXPUFZRNBI-CZUORRHYSA-N 2 2 327.419 1.612 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000563798314 306347366 /nfs/dbraw/zinc/34/73/66/306347366.db2.gz WASHVYAOFTYMPK-CYBMUJFWSA-N 2 2 344.381 1.532 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)Nc1cc(F)cc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000563853689 306349737 /nfs/dbraw/zinc/34/97/37/306349737.db2.gz UIZDSIAUXWYZDD-HOTGVXAUSA-N 2 2 348.422 1.891 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)Nc1cc(F)cc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC000563853689 306349738 /nfs/dbraw/zinc/34/97/38/306349738.db2.gz UIZDSIAUXWYZDD-HOTGVXAUSA-N 2 2 348.422 1.891 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C)[NH+]2CCOCC2)c1 ZINC000563954366 306353159 /nfs/dbraw/zinc/35/31/59/306353159.db2.gz BYOIPUXDTXMVCD-SZMVWBNQSA-N 2 2 331.460 1.483 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000369665090 155131861 /nfs/dbraw/zinc/13/18/61/155131861.db2.gz NWMQEUUVTJRORY-UONOGXRCSA-N 2 2 334.464 1.475 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000369665090 155131862 /nfs/dbraw/zinc/13/18/62/155131862.db2.gz NWMQEUUVTJRORY-UONOGXRCSA-N 2 2 334.464 1.475 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000369665090 155131863 /nfs/dbraw/zinc/13/18/63/155131863.db2.gz NWMQEUUVTJRORY-UONOGXRCSA-N 2 2 334.464 1.475 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000369665090 155131864 /nfs/dbraw/zinc/13/18/64/155131864.db2.gz NWMQEUUVTJRORY-UONOGXRCSA-N 2 2 334.464 1.475 20 0 EDADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cnccn3)CC2)C[C@H](C)O1 ZINC000564711551 306362991 /nfs/dbraw/zinc/36/29/91/306362991.db2.gz YHYUGZCPTRSSRD-HOTGVXAUSA-N 2 2 334.464 1.567 20 0 EDADLP OC[C@H](CC1CCCC1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000564978599 306371808 /nfs/dbraw/zinc/37/18/08/306371808.db2.gz NRDZVPUYWSOSTQ-VQTJNVASSA-N 2 2 332.488 1.936 20 0 EDADLP OC[C@H](CC1CCCC1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000564978599 306371809 /nfs/dbraw/zinc/37/18/09/306371809.db2.gz NRDZVPUYWSOSTQ-VQTJNVASSA-N 2 2 332.488 1.936 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1cccc(F)c1 ZINC000129492699 223062180 /nfs/dbraw/zinc/06/21/80/223062180.db2.gz GOZBGKHWRPGWDY-OAHLLOKOSA-N 2 2 335.423 1.808 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)Nc1cccc(F)c1 ZINC000129492699 223062183 /nfs/dbraw/zinc/06/21/83/223062183.db2.gz GOZBGKHWRPGWDY-OAHLLOKOSA-N 2 2 335.423 1.808 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)n1C ZINC000414338686 304108208 /nfs/dbraw/zinc/10/82/08/304108208.db2.gz RSNSKDNBAUZVCU-GFCCVEGCSA-N 2 2 340.374 1.294 20 0 EDADLP Cc1ccc(N2CCC([NH2+]Cc3cnc(N(C)C)n3C)CC2)[nH+]c1 ZINC000414356640 304111273 /nfs/dbraw/zinc/11/12/73/304111273.db2.gz FSQKSADKWGSNJU-UHFFFAOYSA-N 2 2 328.464 1.948 20 0 EDADLP Cc1ccc(N2CCC([NH2+]Cc3c[nH+]c(N(C)C)n3C)CC2)[nH+]c1 ZINC000414356640 304111274 /nfs/dbraw/zinc/11/12/74/304111274.db2.gz FSQKSADKWGSNJU-UHFFFAOYSA-N 3 2 328.464 1.948 20 0 EDADLP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000647336736 452181516 /nfs/dbraw/zinc/18/15/16/452181516.db2.gz FRVROSIJZPCFMF-FUHWJXTLSA-N 2 2 327.513 1.170 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000566748883 306427626 /nfs/dbraw/zinc/42/76/26/306427626.db2.gz OQPWFVYLYQKZKP-UHFFFAOYSA-N 2 2 341.415 1.263 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(SC)cc1OC ZINC000415042052 304153694 /nfs/dbraw/zinc/15/36/94/304153694.db2.gz QCRWMZAQLFEJFC-ZDUSSCGKSA-N 2 2 326.462 1.894 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415042537 304153705 /nfs/dbraw/zinc/15/37/05/304153705.db2.gz QQLBVKSRQGMCOY-LLVKDONJSA-N 2 2 336.358 1.138 20 0 EDADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCCn1cc[nH+]c1 ZINC000110176337 220022732 /nfs/dbraw/zinc/02/27/32/220022732.db2.gz BCZCFDHXIJQOPK-UHFFFAOYSA-N 2 2 341.459 1.602 20 0 EDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000236955240 139036405 /nfs/dbraw/zinc/03/64/05/139036405.db2.gz OFSOZJMGJJMKOY-KRWDZBQOSA-N 2 2 348.516 1.103 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000236955240 139036406 /nfs/dbraw/zinc/03/64/06/139036406.db2.gz OFSOZJMGJJMKOY-KRWDZBQOSA-N 2 2 348.516 1.103 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000237057947 139039405 /nfs/dbraw/zinc/03/94/05/139039405.db2.gz JLRGAVILKQAYCI-KBXCAEBGSA-N 2 2 346.475 1.579 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)cc1F ZINC000237301035 139047023 /nfs/dbraw/zinc/04/70/23/139047023.db2.gz AOTSHLDZRXGWFJ-LJQANCHMSA-N 2 2 349.450 1.868 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000237256833 139045766 /nfs/dbraw/zinc/04/57/66/139045766.db2.gz RNRJHECUHCDJHT-UHFFFAOYSA-N 2 2 339.443 1.562 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[NH+]1CCCC1 ZINC000237259334 139045802 /nfs/dbraw/zinc/04/58/02/139045802.db2.gz OAZWJVZZNDTEBO-GJZGRUSLSA-N 2 2 335.473 1.611 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000496903561 284341096 /nfs/dbraw/zinc/34/10/96/284341096.db2.gz RJDYORLFOPMYTF-JKSUJKDBSA-N 2 2 327.469 1.386 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000496903561 284341097 /nfs/dbraw/zinc/34/10/97/284341097.db2.gz RJDYORLFOPMYTF-JKSUJKDBSA-N 2 2 327.469 1.386 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000496903561 284341098 /nfs/dbraw/zinc/34/10/98/284341098.db2.gz RJDYORLFOPMYTF-JKSUJKDBSA-N 2 2 327.469 1.386 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000496903561 284341099 /nfs/dbraw/zinc/34/10/99/284341099.db2.gz RJDYORLFOPMYTF-JKSUJKDBSA-N 2 2 327.469 1.386 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000496984180 284341226 /nfs/dbraw/zinc/34/12/26/284341226.db2.gz HSZRLKULHVHZDU-OAHLLOKOSA-N 2 2 341.496 1.774 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000496984180 284341227 /nfs/dbraw/zinc/34/12/27/284341227.db2.gz HSZRLKULHVHZDU-OAHLLOKOSA-N 2 2 341.496 1.774 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000496984180 284341228 /nfs/dbraw/zinc/34/12/28/284341228.db2.gz HSZRLKULHVHZDU-OAHLLOKOSA-N 2 2 341.496 1.774 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000496984180 284341229 /nfs/dbraw/zinc/34/12/29/284341229.db2.gz HSZRLKULHVHZDU-OAHLLOKOSA-N 2 2 341.496 1.774 20 0 EDADLP C[C@@H](C(=O)NC1CCC([NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237509255 139052871 /nfs/dbraw/zinc/05/28/71/139052871.db2.gz VWBNNJHRJDZLBQ-OOHWJJMZSA-N 2 2 348.466 1.722 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237566153 139054186 /nfs/dbraw/zinc/05/41/86/139054186.db2.gz IGCSHBVCEJXECS-RHSMWYFYSA-N 2 2 348.491 1.961 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000081359842 217387824 /nfs/dbraw/zinc/38/78/24/217387824.db2.gz ANLQWPGKDVZZPN-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000081359842 217387827 /nfs/dbraw/zinc/38/78/27/217387827.db2.gz ANLQWPGKDVZZPN-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cn1 ZINC000245454768 139075577 /nfs/dbraw/zinc/07/55/77/139075577.db2.gz SFIZBIUAVBUDFG-FUHWJXTLSA-N 2 2 345.491 1.723 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cn1 ZINC000245454768 139075578 /nfs/dbraw/zinc/07/55/78/139075578.db2.gz SFIZBIUAVBUDFG-FUHWJXTLSA-N 2 2 345.491 1.723 20 0 EDADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246356248 139105213 /nfs/dbraw/zinc/10/52/13/139105213.db2.gz IBOAJISUEUPVOQ-BDXSIMOUSA-N 2 2 337.508 1.724 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415299186 304188888 /nfs/dbraw/zinc/18/88/88/304188888.db2.gz HRRIAEKGPUGSHA-QGZVFWFLSA-N 2 2 335.452 1.722 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415341335 304197760 /nfs/dbraw/zinc/19/77/60/304197760.db2.gz OQUREDNLIZNTHD-NSHDSACASA-N 2 2 341.415 1.210 20 0 EDADLP C[NH2+]CCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415356883 304202746 /nfs/dbraw/zinc/20/27/46/304202746.db2.gz GIUFZMCSFDXANJ-UHFFFAOYSA-N 2 2 341.415 1.161 20 0 EDADLP COc1ccccc1/C=C/C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000093821184 218252782 /nfs/dbraw/zinc/25/27/82/218252782.db2.gz TWTFRRGPRZPLBW-KRZKXXONSA-N 2 2 343.471 1.947 20 0 EDADLP COc1ccccc1/C=C/C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000093821184 218252785 /nfs/dbraw/zinc/25/27/85/218252785.db2.gz TWTFRRGPRZPLBW-KRZKXXONSA-N 2 2 343.471 1.947 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000252007791 139203869 /nfs/dbraw/zinc/20/38/69/139203869.db2.gz YBDAWYDKKGRHDJ-CABCVRRESA-N 2 2 328.416 1.399 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000252007791 139203870 /nfs/dbraw/zinc/20/38/70/139203870.db2.gz YBDAWYDKKGRHDJ-CABCVRRESA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000261591855 139209378 /nfs/dbraw/zinc/20/93/78/139209378.db2.gz MCXKTNSDMUEMSS-NXHRZFHOSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000261591855 139209379 /nfs/dbraw/zinc/20/93/79/139209379.db2.gz MCXKTNSDMUEMSS-NXHRZFHOSA-N 2 2 331.460 1.392 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1OC ZINC000261625152 139212365 /nfs/dbraw/zinc/21/23/65/139212365.db2.gz CMFVOLJMGJYZBY-SFHVURJKSA-N 2 2 335.448 1.333 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1OC ZINC000261625152 139212366 /nfs/dbraw/zinc/21/23/66/139212366.db2.gz CMFVOLJMGJYZBY-SFHVURJKSA-N 2 2 335.448 1.333 20 0 EDADLP [NH3+]C1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCOCC1 ZINC000261657168 139215021 /nfs/dbraw/zinc/21/50/21/139215021.db2.gz AWLPCWVGOVTEGL-UHFFFAOYSA-N 2 2 328.416 1.098 20 0 EDADLP CC(C)c1ccc(NC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000261682303 139217144 /nfs/dbraw/zinc/21/71/44/139217144.db2.gz MXHPGAACCNSLII-GOSISDBHSA-N 2 2 330.476 1.728 20 0 EDADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261713147 139219738 /nfs/dbraw/zinc/21/97/38/139219738.db2.gz PXQWWQFPDGJXIS-SJLPKXTDSA-N 2 2 330.476 1.186 20 0 EDADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000261727126 139220989 /nfs/dbraw/zinc/22/09/89/139220989.db2.gz RIFJPFWMEQFKHC-UONOGXRCSA-N 2 2 335.452 1.273 20 0 EDADLP CC(C)c1nc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)no1 ZINC000261727126 139220990 /nfs/dbraw/zinc/22/09/90/139220990.db2.gz RIFJPFWMEQFKHC-UONOGXRCSA-N 2 2 335.452 1.273 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000261730541 139221228 /nfs/dbraw/zinc/22/12/28/139221228.db2.gz RTZSBPBNIYUPDI-INIZCTEOSA-N 3 2 327.432 1.159 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000261730541 139221229 /nfs/dbraw/zinc/22/12/29/139221229.db2.gz RTZSBPBNIYUPDI-INIZCTEOSA-N 3 2 327.432 1.159 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261754946 139223375 /nfs/dbraw/zinc/22/33/75/139223375.db2.gz NQVVVYLOOBJDGG-CVEARBPZSA-N 2 2 332.448 1.143 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261754946 139223376 /nfs/dbraw/zinc/22/33/76/139223376.db2.gz NQVVVYLOOBJDGG-CVEARBPZSA-N 2 2 332.448 1.143 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000261826158 139229464 /nfs/dbraw/zinc/22/94/64/139229464.db2.gz YHJFRCCIPHWVPW-LJQANCHMSA-N 2 2 341.459 1.202 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000261826158 139229465 /nfs/dbraw/zinc/22/94/65/139229465.db2.gz YHJFRCCIPHWVPW-LJQANCHMSA-N 2 2 341.459 1.202 20 0 EDADLP Cn1ncc(Cl)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261813257 139228256 /nfs/dbraw/zinc/22/82/56/139228256.db2.gz HTWCLEFJOMFAME-TZMCWYRMSA-N 2 2 339.871 1.154 20 0 EDADLP Cn1ncc(Cl)c1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261813257 139228257 /nfs/dbraw/zinc/22/82/57/139228257.db2.gz HTWCLEFJOMFAME-TZMCWYRMSA-N 2 2 339.871 1.154 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(F)cc1 ZINC000261895141 139234843 /nfs/dbraw/zinc/23/48/43/139234843.db2.gz VXMBSZRNDLPUOG-QLFBSQMISA-N 2 2 332.379 1.271 20 0 EDADLP C[N@H+](CCN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000261899384 139235031 /nfs/dbraw/zinc/23/50/31/139235031.db2.gz VROSAVHTTKEOHR-FQEVSTJZSA-N 3 2 330.520 1.736 20 0 EDADLP C[N@@H+](CCN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000261899384 139235032 /nfs/dbraw/zinc/23/50/32/139235032.db2.gz VROSAVHTTKEOHR-FQEVSTJZSA-N 3 2 330.520 1.736 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261868801 139232888 /nfs/dbraw/zinc/23/28/88/139232888.db2.gz XPVAMGVQSWBNHH-AWEZNQCLSA-N 2 2 337.221 1.673 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261878647 139233586 /nfs/dbraw/zinc/23/35/86/139233586.db2.gz UJKYYKPWKNERLB-IFXJQAMLSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261878647 139233587 /nfs/dbraw/zinc/23/35/87/139233587.db2.gz UJKYYKPWKNERLB-IFXJQAMLSA-N 2 2 344.459 1.811 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261970068 139240672 /nfs/dbraw/zinc/24/06/72/139240672.db2.gz QESORIAEOXZTKC-OAHLLOKOSA-N 2 2 345.472 1.534 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261970068 139240673 /nfs/dbraw/zinc/24/06/73/139240673.db2.gz QESORIAEOXZTKC-OAHLLOKOSA-N 2 2 345.472 1.534 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000569345323 306504419 /nfs/dbraw/zinc/50/44/19/306504419.db2.gz MXRWRTULNCEYHA-UHFFFAOYSA-N 2 2 329.448 1.683 20 0 EDADLP C[NH2+]C[C@@H]1CCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000416874896 251113833 /nfs/dbraw/zinc/11/38/33/251113833.db2.gz SVIHJCLINACDGZ-HNNXBMFYSA-N 2 2 329.448 1.986 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccccc1F ZINC000262363535 139273363 /nfs/dbraw/zinc/27/33/63/139273363.db2.gz KSRNZGWKDAPBPJ-LRDDRELGSA-N 2 2 332.379 1.143 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)c1c(F)cccc1F ZINC000417658880 251215953 /nfs/dbraw/zinc/21/59/53/251215953.db2.gz JYWZXONBOGEQOL-UONOGXRCSA-N 2 2 326.391 1.604 20 0 EDADLP COCC1(CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[NH2+]CC1 ZINC000417840173 251293227 /nfs/dbraw/zinc/29/32/27/251293227.db2.gz ZMSDUIDRUAOILK-AWEZNQCLSA-N 2 2 327.375 1.097 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000417824639 251285141 /nfs/dbraw/zinc/28/51/41/251285141.db2.gz KVYVZMSBMKJITB-CQSZACIVSA-N 2 2 340.493 1.339 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000418722555 251398753 /nfs/dbraw/zinc/39/87/53/251398753.db2.gz LMHIXUYPSDQGHF-MELADBBJSA-N 2 2 340.493 1.499 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418534832 251377870 /nfs/dbraw/zinc/37/78/70/251377870.db2.gz BTLIPPSUSKXXEG-DAXSKMNVSA-N 2 2 340.471 1.947 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262641861 139292589 /nfs/dbraw/zinc/29/25/89/139292589.db2.gz QQDIFIYESPNVFO-KRWDZBQOSA-N 3 2 343.475 1.435 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C[C@H]1CC ZINC000262673793 139295360 /nfs/dbraw/zinc/29/53/60/139295360.db2.gz SWDAVUDSDSCRTB-MSOLQXFVSA-N 2 2 333.476 1.954 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C[C@H]1CC ZINC000262673793 139295361 /nfs/dbraw/zinc/29/53/61/139295361.db2.gz SWDAVUDSDSCRTB-MSOLQXFVSA-N 2 2 333.476 1.954 20 0 EDADLP Cc1cccc([C@H](C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)N2CCOCC2)c1 ZINC000422869027 252006364 /nfs/dbraw/zinc/00/63/64/252006364.db2.gz WQXMHIXIEQSTBI-RLLQIKCJSA-N 2 2 347.503 1.725 20 0 EDADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422875729 252007433 /nfs/dbraw/zinc/00/74/33/252007433.db2.gz CZLFKNBXIDNYKI-KDOFPFPSSA-N 3 2 347.507 1.442 20 0 EDADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422875729 252007437 /nfs/dbraw/zinc/00/74/37/252007437.db2.gz CZLFKNBXIDNYKI-KDOFPFPSSA-N 3 2 347.507 1.442 20 0 EDADLP C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCC[NH2+]1 ZINC000422862560 252003496 /nfs/dbraw/zinc/00/34/96/252003496.db2.gz QDNMROZUZXWJBL-XJKSGUPXSA-N 2 2 326.462 1.589 20 0 EDADLP C[C@H](O)[C@](C)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000423070937 252033825 /nfs/dbraw/zinc/03/38/25/252033825.db2.gz HAYBAHDOSQKAFR-OBZTUIKSSA-N 2 2 332.488 1.973 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422908676 252018635 /nfs/dbraw/zinc/01/86/35/252018635.db2.gz DOUGDDKWNPKHFV-LPHOPBHVSA-N 3 2 344.503 1.742 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000422905752 252018958 /nfs/dbraw/zinc/01/89/58/252018958.db2.gz SQQSZQXIAXPJSS-PBHICJAKSA-N 2 2 339.505 1.602 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000423781978 252070955 /nfs/dbraw/zinc/07/09/55/252070955.db2.gz LRYZGYNCVMFTCW-QGZVFWFLSA-N 2 2 325.416 1.442 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423863627 252095751 /nfs/dbraw/zinc/09/57/51/252095751.db2.gz AIEGPGAPTOMYBK-ATZDWAIDSA-N 2 2 343.471 1.270 20 0 EDADLP COCC[C@@]1(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC[NH2+]C1 ZINC000423804574 252082637 /nfs/dbraw/zinc/08/26/37/252082637.db2.gz SJVAAJCULFSBRU-YJBOKZPZSA-N 2 2 334.464 1.217 20 0 EDADLP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000424143307 252142014 /nfs/dbraw/zinc/14/20/14/252142014.db2.gz FWZXVPWOLYCXLO-ZDUSSCGKSA-N 2 2 328.420 1.551 20 0 EDADLP Cc1noc([C@H](C)N2CC[NH+](C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)n1 ZINC000424278367 252188638 /nfs/dbraw/zinc/18/86/38/252188638.db2.gz DEQDQWGZDLMHDP-XJKSGUPXSA-N 2 2 347.438 1.938 20 0 EDADLP NC(=O)[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(Br)cc1 ZINC000424328677 252195379 /nfs/dbraw/zinc/19/53/79/252195379.db2.gz FLWFQOWEYDWYOS-UPJWGTAASA-N 2 2 326.238 1.835 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000424335828 252197255 /nfs/dbraw/zinc/19/72/55/252197255.db2.gz PIFMHJJBPVHVAC-ZJIFWQFVSA-N 2 2 347.459 1.533 20 0 EDADLP CCc1ccc([C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[NH+](C)C)cc1 ZINC000263013594 139317702 /nfs/dbraw/zinc/31/77/02/139317702.db2.gz QCAROYNSWQMZQN-GJZGRUSLSA-N 2 2 325.403 1.965 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]1CCO)N1CC[NH+](Cc2cccs2)CC1 ZINC000426197316 252323780 /nfs/dbraw/zinc/32/37/80/252323780.db2.gz BPTGDZMXXOFJMV-HNNXBMFYSA-N 2 2 337.489 1.239 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]1CCO)N1CC[NH+](Cc2cccs2)CC1 ZINC000426197316 252323783 /nfs/dbraw/zinc/32/37/83/252323783.db2.gz BPTGDZMXXOFJMV-HNNXBMFYSA-N 2 2 337.489 1.239 20 0 EDADLP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000263263916 139331753 /nfs/dbraw/zinc/33/17/53/139331753.db2.gz RHNBQRZGLHMJEV-YMTOWFKASA-N 2 2 342.230 1.244 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[NH+]2CCCC2)o1 ZINC000263319159 139335654 /nfs/dbraw/zinc/33/56/54/139335654.db2.gz ZYUDHBFCKSOPPD-STQMWFEESA-N 2 2 327.375 1.838 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@](C)(OC)C3CC3)CC2)CC1 ZINC000422016931 285187521 /nfs/dbraw/zinc/18/75/21/285187521.db2.gz IRDNXDMAHPZMFM-LJQANCHMSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@](C)(OC)C3CC3)CC2)CC1 ZINC000422016931 285187522 /nfs/dbraw/zinc/18/75/22/285187522.db2.gz IRDNXDMAHPZMFM-LJQANCHMSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415723606 304261900 /nfs/dbraw/zinc/26/19/00/304261900.db2.gz MFGBAJWPSDGSOZ-LBPRGKRZSA-N 2 2 345.369 1.656 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000263661153 139350809 /nfs/dbraw/zinc/35/08/09/139350809.db2.gz IOMQDYMBIXWEAI-INIZCTEOSA-N 2 2 341.459 1.184 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC000491876447 255153865 /nfs/dbraw/zinc/15/38/65/255153865.db2.gz YXONUZCDRPOZKW-GJZGRUSLSA-N 2 2 338.452 1.292 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC000491876447 255153866 /nfs/dbraw/zinc/15/38/66/255153866.db2.gz YXONUZCDRPOZKW-GJZGRUSLSA-N 2 2 338.452 1.292 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000492365550 255173341 /nfs/dbraw/zinc/17/33/41/255173341.db2.gz LDDCDOXKYDKKJG-VBROQKIQSA-N 2 2 334.420 1.012 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000492365550 255173342 /nfs/dbraw/zinc/17/33/42/255173342.db2.gz LDDCDOXKYDKKJG-VBROQKIQSA-N 2 2 334.420 1.012 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000493043585 255189556 /nfs/dbraw/zinc/18/95/56/255189556.db2.gz FIYJYWYTJVVFRS-GEXIGZQTSA-N 2 2 327.350 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000493043585 255189557 /nfs/dbraw/zinc/18/95/57/255189557.db2.gz FIYJYWYTJVVFRS-GEXIGZQTSA-N 2 2 327.350 1.820 20 0 EDADLP CCc1nc(N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC000495765925 255322839 /nfs/dbraw/zinc/32/28/39/255322839.db2.gz ZUCMOPAWMBIATL-CQSZACIVSA-N 2 2 349.479 1.993 20 0 EDADLP CCc1nc(N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC000495765925 255322840 /nfs/dbraw/zinc/32/28/40/255322840.db2.gz ZUCMOPAWMBIATL-CQSZACIVSA-N 2 2 349.479 1.993 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000264021160 139376009 /nfs/dbraw/zinc/37/60/09/139376009.db2.gz RPHPOMAHIAZQFA-KBPBESRZSA-N 2 2 330.432 1.952 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118841772 221195360 /nfs/dbraw/zinc/19/53/60/221195360.db2.gz LVRMNLJGRPZZDQ-OAHLLOKOSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118841772 221195361 /nfs/dbraw/zinc/19/53/61/221195361.db2.gz LVRMNLJGRPZZDQ-OAHLLOKOSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000118841772 221195365 /nfs/dbraw/zinc/19/53/65/221195365.db2.gz LVRMNLJGRPZZDQ-OAHLLOKOSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000118841772 221195366 /nfs/dbraw/zinc/19/53/66/221195366.db2.gz LVRMNLJGRPZZDQ-OAHLLOKOSA-N 2 2 346.475 1.601 20 0 EDADLP COCC(C)(C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000119464282 221325964 /nfs/dbraw/zinc/32/59/64/221325964.db2.gz RDQGXMCTVBDYHR-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264188625 139385531 /nfs/dbraw/zinc/38/55/31/139385531.db2.gz OEQABCNQVQWYMP-UHFFFAOYSA-N 2 2 331.420 1.360 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+](CCOC)[C@@H](C)C(N)=O)CC1 ZINC000093138995 285339234 /nfs/dbraw/zinc/33/92/34/285339234.db2.gz ZFGMJFOHUCEKAY-INIZCTEOSA-N 2 2 348.491 1.151 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+](CCOC)[C@@H](C)C(N)=O)CC1 ZINC000093138995 285339237 /nfs/dbraw/zinc/33/92/37/285339237.db2.gz ZFGMJFOHUCEKAY-INIZCTEOSA-N 2 2 348.491 1.151 20 0 EDADLP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([N@H+](C)CCO)CC2)c1 ZINC000264280388 139393007 /nfs/dbraw/zinc/39/30/07/139393007.db2.gz GOIVREAXUMEBFE-UHFFFAOYSA-N 2 2 347.503 1.961 20 0 EDADLP CC(C)CNC(=O)c1cccc(C[NH+]2CCC([N@@H+](C)CCO)CC2)c1 ZINC000264280388 139393008 /nfs/dbraw/zinc/39/30/08/139393008.db2.gz GOIVREAXUMEBFE-UHFFFAOYSA-N 2 2 347.503 1.961 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000361775470 285390022 /nfs/dbraw/zinc/39/00/22/285390022.db2.gz WGEGCYVUPQNVFA-ZACQAIPSSA-N 2 2 339.528 1.137 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C ZINC000361775470 285390023 /nfs/dbraw/zinc/39/00/23/285390023.db2.gz WGEGCYVUPQNVFA-ZACQAIPSSA-N 2 2 339.528 1.137 20 0 EDADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154757676 533431809 /nfs/dbraw/zinc/43/18/09/533431809.db2.gz PBIOXLQQLXLXDH-INIZCTEOSA-N 2 2 339.480 1.110 20 0 EDADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154757676 533431812 /nfs/dbraw/zinc/43/18/12/533431812.db2.gz PBIOXLQQLXLXDH-INIZCTEOSA-N 2 2 339.480 1.110 20 0 EDADLP CC(=O)c1ccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000267257483 139592299 /nfs/dbraw/zinc/59/22/99/139592299.db2.gz NNBVFWXKJIEZPC-UHFFFAOYSA-N 2 2 331.460 1.574 20 0 EDADLP CC1(C)CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[NH2+]1 ZINC000332024652 141112100 /nfs/dbraw/zinc/11/21/00/141112100.db2.gz GQPBBLSNMNNBEB-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000332065959 141117350 /nfs/dbraw/zinc/11/73/50/141117350.db2.gz SSHVJPRDLIPDGJ-CABCVRRESA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000332065959 141117352 /nfs/dbraw/zinc/11/73/52/141117352.db2.gz SSHVJPRDLIPDGJ-CABCVRRESA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C2 ZINC000332591185 141210159 /nfs/dbraw/zinc/21/01/59/141210159.db2.gz FIBLDZNKJOAASY-ZFWWWQNUSA-N 2 2 334.464 1.058 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C2 ZINC000332591185 141210160 /nfs/dbraw/zinc/21/01/60/141210160.db2.gz FIBLDZNKJOAASY-ZFWWWQNUSA-N 2 2 334.464 1.058 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000332874468 141242322 /nfs/dbraw/zinc/24/23/22/141242322.db2.gz JIZGRCXLVGGSQB-CVEARBPZSA-N 2 2 347.463 1.377 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C2 ZINC000332873674 141242378 /nfs/dbraw/zinc/24/23/78/141242378.db2.gz UMWPMTBNBDCNEG-FMKPAKJESA-N 2 2 348.491 1.758 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000333094912 141262885 /nfs/dbraw/zinc/26/28/85/141262885.db2.gz CYHAYCFZLJJKFH-TZMCWYRMSA-N 2 2 333.436 1.489 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)CN2CCN(C)c3[nH+]cccc32)CC1 ZINC000333163704 141274385 /nfs/dbraw/zinc/27/43/85/141274385.db2.gz OKRZWPULCZOWGW-UHFFFAOYSA-N 2 2 331.464 1.327 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333298939 141295064 /nfs/dbraw/zinc/29/50/64/141295064.db2.gz IQXCTROSVNHOKI-DLBZAZTESA-N 2 2 343.475 1.823 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333340523 141302084 /nfs/dbraw/zinc/30/20/84/141302084.db2.gz STSFTTGKVPZHSP-QGZVFWFLSA-N 2 2 346.475 1.406 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333387371 141310099 /nfs/dbraw/zinc/31/00/99/141310099.db2.gz OGSAUPUUGSQIFB-IAGOWNOFSA-N 2 2 343.475 1.691 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)[C@@H]2C1 ZINC000333403934 141312418 /nfs/dbraw/zinc/31/24/18/141312418.db2.gz FVNWPVGSYPWAMS-OWCLPIDISA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)[C@@H]2C1 ZINC000333403934 141312420 /nfs/dbraw/zinc/31/24/20/141312420.db2.gz FVNWPVGSYPWAMS-OWCLPIDISA-N 2 2 331.464 1.358 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333538962 141333489 /nfs/dbraw/zinc/33/34/89/141333489.db2.gz JABQAPZQAJYCEC-JKSUJKDBSA-N 2 2 331.464 1.934 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]cn1 ZINC000333615288 141345200 /nfs/dbraw/zinc/34/52/00/141345200.db2.gz YQMPGTFDVPFOCU-HZPDHXFCSA-N 2 2 331.464 1.406 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc[nH+]1 ZINC000333615288 141345202 /nfs/dbraw/zinc/34/52/02/141345202.db2.gz YQMPGTFDVPFOCU-HZPDHXFCSA-N 2 2 331.464 1.406 20 0 EDADLP Cc1[nH]nc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC000339473241 142054550 /nfs/dbraw/zinc/05/45/50/142054550.db2.gz JQKGEJJROQRZKJ-XYPWUTKMSA-N 2 2 331.464 1.410 20 0 EDADLP Cc1[nH]nc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC000339473241 142054552 /nfs/dbraw/zinc/05/45/52/142054552.db2.gz JQKGEJJROQRZKJ-XYPWUTKMSA-N 2 2 331.464 1.410 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000339548660 142073788 /nfs/dbraw/zinc/07/37/88/142073788.db2.gz XMIAEGABKRGOHC-INIZCTEOSA-N 2 2 346.500 1.718 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000339548660 142073790 /nfs/dbraw/zinc/07/37/90/142073790.db2.gz XMIAEGABKRGOHC-INIZCTEOSA-N 2 2 346.500 1.718 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339611025 142092944 /nfs/dbraw/zinc/09/29/44/142092944.db2.gz APOCUQINNCZRFT-BRWVUGGUSA-N 2 2 345.491 1.143 20 0 EDADLP CC1=CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000339628249 142099632 /nfs/dbraw/zinc/09/96/32/142099632.db2.gz YNUJCKLOELDOSP-UHFFFAOYSA-N 2 2 343.471 1.787 20 0 EDADLP CC1=CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000339628249 142099634 /nfs/dbraw/zinc/09/96/34/142099634.db2.gz YNUJCKLOELDOSP-UHFFFAOYSA-N 2 2 343.471 1.787 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000339634949 142102160 /nfs/dbraw/zinc/10/21/60/142102160.db2.gz LSMQUWKKJZASCZ-UHFFFAOYSA-N 2 2 347.463 1.105 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000339634949 142102162 /nfs/dbraw/zinc/10/21/62/142102162.db2.gz LSMQUWKKJZASCZ-UHFFFAOYSA-N 2 2 347.463 1.105 20 0 EDADLP Cc1nc2[nH]ccc2c(N[C@H](CC(C)C)C(=O)NCC[NH+](C)C)[nH+]1 ZINC000340079367 142259456 /nfs/dbraw/zinc/25/94/56/142259456.db2.gz PINKTPYFBIJSKA-CQSZACIVSA-N 2 2 332.452 1.771 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)cn2cc[nH+]c12 ZINC000340193553 142298193 /nfs/dbraw/zinc/29/81/93/142298193.db2.gz YBPXBTJBFNBKMP-UHFFFAOYSA-N 2 2 341.415 1.349 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=C(C)CC2)cn2cc[nH+]c12 ZINC000340193553 142298194 /nfs/dbraw/zinc/29/81/94/142298194.db2.gz YBPXBTJBFNBKMP-UHFFFAOYSA-N 2 2 341.415 1.349 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](c2cccnc2)C2CC2)CC1 ZINC000340249252 142319222 /nfs/dbraw/zinc/31/92/22/142319222.db2.gz JVLYYGZLVITBNO-GOSISDBHSA-N 2 2 345.491 1.858 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccnn2C)c[nH+]1 ZINC000345024044 143040583 /nfs/dbraw/zinc/04/05/83/143040583.db2.gz XKHMQCFWIQMZTQ-CRAIPNDOSA-N 2 2 327.432 1.666 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)CC1 ZINC000345163168 143059753 /nfs/dbraw/zinc/05/97/53/143059753.db2.gz AHQDMUIBTHQDPE-IRXDYDNUSA-N 2 2 346.475 1.335 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)CC1 ZINC000345163168 143059754 /nfs/dbraw/zinc/05/97/54/143059754.db2.gz AHQDMUIBTHQDPE-IRXDYDNUSA-N 2 2 346.475 1.335 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCC[N@H+]1C ZINC000345317180 143077093 /nfs/dbraw/zinc/07/70/93/143077093.db2.gz KKDVGUUWYZEZBD-MAUKXSAKSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCC[N@@H+]1C ZINC000345317180 143077092 /nfs/dbraw/zinc/07/70/92/143077092.db2.gz KKDVGUUWYZEZBD-MAUKXSAKSA-N 2 2 331.460 1.731 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000345507034 143099618 /nfs/dbraw/zinc/09/96/18/143099618.db2.gz ZHXSGRXULNBCGD-GVDBMIGSSA-N 2 2 348.491 1.627 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000345915897 143146754 /nfs/dbraw/zinc/14/67/54/143146754.db2.gz IUAKANXVVQULLD-JENIJYKNSA-N 2 2 345.487 1.829 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000345915897 143146755 /nfs/dbraw/zinc/14/67/55/143146755.db2.gz IUAKANXVVQULLD-JENIJYKNSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000345915897 143146756 /nfs/dbraw/zinc/14/67/56/143146756.db2.gz IUAKANXVVQULLD-JENIJYKNSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000345915897 143146757 /nfs/dbraw/zinc/14/67/57/143146757.db2.gz IUAKANXVVQULLD-JENIJYKNSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000346244011 143182937 /nfs/dbraw/zinc/18/29/37/143182937.db2.gz UGUKTIDAEJDAQN-YJBOKZPZSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000346244011 143182938 /nfs/dbraw/zinc/18/29/38/143182938.db2.gz UGUKTIDAEJDAQN-YJBOKZPZSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C[C@@H](C)C1 ZINC000346257147 143184184 /nfs/dbraw/zinc/18/41/84/143184184.db2.gz GSIKCKRGRVWOTB-ISARSNTHSA-N 2 2 349.519 1.819 20 0 EDADLP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346257147 143184185 /nfs/dbraw/zinc/18/41/85/143184185.db2.gz GSIKCKRGRVWOTB-ISARSNTHSA-N 2 2 349.519 1.819 20 0 EDADLP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346257147 143184186 /nfs/dbraw/zinc/18/41/86/143184186.db2.gz GSIKCKRGRVWOTB-ISARSNTHSA-N 2 2 349.519 1.819 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000346291495 143187758 /nfs/dbraw/zinc/18/77/58/143187758.db2.gz IHOGIFFMVGZGIM-IBGZPJMESA-N 2 2 345.491 1.186 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000346291495 143187759 /nfs/dbraw/zinc/18/77/59/143187759.db2.gz IHOGIFFMVGZGIM-IBGZPJMESA-N 2 2 345.491 1.186 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000346555839 143216269 /nfs/dbraw/zinc/21/62/69/143216269.db2.gz WPAJHNPWMBZDHJ-XJKSGUPXSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1nnc2ccccn21 ZINC000346776980 143244774 /nfs/dbraw/zinc/24/47/74/143244774.db2.gz YRYAKBAAJYBEIN-CYBMUJFWSA-N 2 2 342.447 1.123 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347118799 143284622 /nfs/dbraw/zinc/28/46/22/143284622.db2.gz XQFFPXQYHADSFF-UHFFFAOYSA-N 2 2 347.507 1.529 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000347278467 143303095 /nfs/dbraw/zinc/30/30/95/143303095.db2.gz VNGDKRCXJBPDIM-NEWSRXKRSA-N 3 2 346.519 1.348 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000347278467 143303096 /nfs/dbraw/zinc/30/30/96/143303096.db2.gz VNGDKRCXJBPDIM-NEWSRXKRSA-N 3 2 346.519 1.348 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](CO)O[C@@H](C)C2)CC1 ZINC000347319132 143307937 /nfs/dbraw/zinc/30/79/37/143307937.db2.gz WDHRSOXYPIODFZ-FUHWJXTLSA-N 2 2 333.476 1.410 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](CO)O[C@@H](C)C2)CC1 ZINC000347319132 143307938 /nfs/dbraw/zinc/30/79/38/143307938.db2.gz WDHRSOXYPIODFZ-FUHWJXTLSA-N 2 2 333.476 1.410 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000347418957 143318755 /nfs/dbraw/zinc/31/87/55/143318755.db2.gz KYOIWXIOVCYURX-SFHVURJKSA-N 2 2 329.444 1.439 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000347418957 143318756 /nfs/dbraw/zinc/31/87/56/143318756.db2.gz KYOIWXIOVCYURX-SFHVURJKSA-N 2 2 329.444 1.439 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)[nH+]1 ZINC000347707578 143352316 /nfs/dbraw/zinc/35/23/16/143352316.db2.gz XLZIGMUBPUBFGJ-HNNXBMFYSA-N 2 2 346.475 1.443 20 0 EDADLP CC[C@@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)c1c(C)nn(C)c1C ZINC000347993026 143388678 /nfs/dbraw/zinc/38/86/78/143388678.db2.gz DTCHHDIHIJNDPB-GDBMZVCRSA-N 2 2 335.496 1.630 20 0 EDADLP [NH3+][C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000416818279 304349737 /nfs/dbraw/zinc/34/97/37/304349737.db2.gz IJGFGYSXYALGLM-UONOGXRCSA-N 2 2 338.477 1.158 20 0 EDADLP CC(C)(O)c1cn(C2C[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nn1 ZINC000369853866 155204980 /nfs/dbraw/zinc/20/49/80/155204980.db2.gz SMENCYNAZZWRLB-UHFFFAOYSA-N 2 2 338.415 1.748 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416894767 304353941 /nfs/dbraw/zinc/35/39/41/304353941.db2.gz RHEPESHPEQFTBF-IAGOWNOFSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416895327 304354038 /nfs/dbraw/zinc/35/40/38/304354038.db2.gz SQLZFTDGWRJARL-SOLBZPMBSA-N 2 2 346.475 1.439 20 0 EDADLP C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352802735 149173174 /nfs/dbraw/zinc/17/31/74/149173174.db2.gz WJTMZWDOYLYECU-SOUVJXGZSA-N 2 2 334.489 1.460 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C2(CO)CC2)CC1 ZINC000353028505 149259516 /nfs/dbraw/zinc/25/95/16/149259516.db2.gz OBDQQUJLQNIWET-INIZCTEOSA-N 2 2 331.460 1.349 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C2(CO)CC2)CC1 ZINC000353028505 149259517 /nfs/dbraw/zinc/25/95/17/149259517.db2.gz OBDQQUJLQNIWET-INIZCTEOSA-N 2 2 331.460 1.349 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)s1 ZINC000353140466 149301695 /nfs/dbraw/zinc/30/16/95/149301695.db2.gz PNFRGFAMQDWUQA-FVCCEPFGSA-N 2 2 339.509 1.993 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)s1 ZINC000353140466 149301697 /nfs/dbraw/zinc/30/16/97/149301697.db2.gz PNFRGFAMQDWUQA-FVCCEPFGSA-N 2 2 339.509 1.993 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416959227 304355306 /nfs/dbraw/zinc/35/53/06/304355306.db2.gz PVYHXBSXGZRYBE-IRXDYDNUSA-N 2 2 341.459 1.901 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000353318299 149362912 /nfs/dbraw/zinc/36/29/12/149362912.db2.gz ZBYDHFFWZSRBQN-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000353318299 149362914 /nfs/dbraw/zinc/36/29/14/149362914.db2.gz ZBYDHFFWZSRBQN-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000353331817 149368688 /nfs/dbraw/zinc/36/86/88/149368688.db2.gz UYCVRAJJVVYGBH-YJBOKZPZSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000353331817 149368690 /nfs/dbraw/zinc/36/86/90/149368690.db2.gz UYCVRAJJVVYGBH-YJBOKZPZSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000353331817 149368692 /nfs/dbraw/zinc/36/86/92/149368692.db2.gz UYCVRAJJVVYGBH-YJBOKZPZSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000353331817 149368694 /nfs/dbraw/zinc/36/86/94/149368694.db2.gz UYCVRAJJVVYGBH-YJBOKZPZSA-N 2 2 335.492 1.763 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369962803 155255348 /nfs/dbraw/zinc/25/53/48/155255348.db2.gz OQEFAGNWWZPTPL-LTIDMASMSA-N 2 2 325.497 1.721 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369962803 155255349 /nfs/dbraw/zinc/25/53/49/155255349.db2.gz OQEFAGNWWZPTPL-LTIDMASMSA-N 2 2 325.497 1.721 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC(C)(C)C[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000416979130 304360150 /nfs/dbraw/zinc/36/01/50/304360150.db2.gz DUHJXKPFAIUHJU-BETUJISGSA-N 2 2 335.452 1.232 20 0 EDADLP COc1cc(C)nc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000354874316 150006201 /nfs/dbraw/zinc/00/62/01/150006201.db2.gz UZFXVAFNTOQGDU-HOCLYGCPSA-N 2 2 347.438 1.834 20 0 EDADLP COC1(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CCOCC1 ZINC000354877928 150007069 /nfs/dbraw/zinc/00/70/69/150007069.db2.gz YXFRXYWSJVUULY-GJZGRUSLSA-N 2 2 340.443 1.118 20 0 EDADLP C[C@H]1CN(C(=O)CCc2nccs2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354951976 150051683 /nfs/dbraw/zinc/05/16/83/150051683.db2.gz ZAJQIXFXUNYOJV-AWEZNQCLSA-N 2 2 336.505 1.703 20 0 EDADLP C[C@H]1CN(C(=O)CCc2nccs2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354951976 150051684 /nfs/dbraw/zinc/05/16/84/150051684.db2.gz ZAJQIXFXUNYOJV-AWEZNQCLSA-N 2 2 336.505 1.703 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC3([NH3+])CCC3)c[nH+]2)C[C@H](C)O1 ZINC000416981453 304360774 /nfs/dbraw/zinc/36/07/74/304360774.db2.gz HIDUIZUYDCZDNR-OKILXGFUSA-N 2 2 347.463 1.376 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1C1CC[NH+](C)CC1 ZINC000354985670 150065793 /nfs/dbraw/zinc/06/57/93/150065793.db2.gz SCRXDNCMVBEZRU-HOTGVXAUSA-N 2 2 345.491 1.072 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416980781 304360874 /nfs/dbraw/zinc/36/08/74/304360874.db2.gz GCOLHUFRMIVJQJ-SOUVJXGZSA-N 2 2 349.479 1.622 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000355079641 150106910 /nfs/dbraw/zinc/10/69/10/150106910.db2.gz CZCDJPJQBRVZDS-DOMZBBRYSA-N 2 2 331.420 1.448 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000355337724 150223250 /nfs/dbraw/zinc/22/32/50/150223250.db2.gz SAAAHFDINIKJNZ-HKUYNNGSSA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000355337724 150223251 /nfs/dbraw/zinc/22/32/51/150223251.db2.gz SAAAHFDINIKJNZ-HKUYNNGSSA-N 2 2 349.519 1.820 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)c1 ZINC000355579262 150322001 /nfs/dbraw/zinc/32/20/01/150322001.db2.gz VQRIOVXSTMFBHP-UHFFFAOYSA-N 2 2 345.403 1.102 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000357607781 151083298 /nfs/dbraw/zinc/08/32/98/151083298.db2.gz FUSWBXQQDWZVDX-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000357607781 151083300 /nfs/dbraw/zinc/08/33/00/151083300.db2.gz FUSWBXQQDWZVDX-OAHLLOKOSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642551 151098037 /nfs/dbraw/zinc/09/80/37/151098037.db2.gz BSZOITAUIFEAON-LBPRGKRZSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642551 151098039 /nfs/dbraw/zinc/09/80/39/151098039.db2.gz BSZOITAUIFEAON-LBPRGKRZSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@@H](C(=O)NCc1cccs1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642951 151098051 /nfs/dbraw/zinc/09/80/51/151098051.db2.gz DGZQUKAAZKZCKB-ZDUSSCGKSA-N 2 2 325.478 1.141 20 0 EDADLP C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642951 151098052 /nfs/dbraw/zinc/09/80/52/151098052.db2.gz DGZQUKAAZKZCKB-ZDUSSCGKSA-N 2 2 325.478 1.141 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646059 151099282 /nfs/dbraw/zinc/09/92/82/151099282.db2.gz JWSQFCFKBPWDIW-AWEZNQCLSA-N 2 2 337.439 1.219 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357646059 151099283 /nfs/dbraw/zinc/09/92/83/151099283.db2.gz JWSQFCFKBPWDIW-AWEZNQCLSA-N 2 2 337.439 1.219 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721629 151126104 /nfs/dbraw/zinc/12/61/04/151126104.db2.gz FFVYFDBTQRMPFY-HNNXBMFYSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721629 151126105 /nfs/dbraw/zinc/12/61/05/151126105.db2.gz FFVYFDBTQRMPFY-HNNXBMFYSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357770790 151147033 /nfs/dbraw/zinc/14/70/33/151147033.db2.gz FYMGQQILOPJZCA-ROUUACIJSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357770790 151147036 /nfs/dbraw/zinc/14/70/36/151147036.db2.gz FYMGQQILOPJZCA-ROUUACIJSA-N 2 2 345.487 1.860 20 0 EDADLP [NH3+]CCN(Cc1ccccc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000417075904 304370276 /nfs/dbraw/zinc/37/02/76/304370276.db2.gz MYJQLOUUDQLOKM-UHFFFAOYSA-N 2 2 341.459 1.932 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000358007085 151232956 /nfs/dbraw/zinc/23/29/56/151232956.db2.gz ROJJKASNZQLLKO-SUMWQHHRSA-N 2 2 337.489 1.509 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000358007085 151232958 /nfs/dbraw/zinc/23/29/58/151232958.db2.gz ROJJKASNZQLLKO-SUMWQHHRSA-N 2 2 337.489 1.509 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000358175307 151295719 /nfs/dbraw/zinc/29/57/19/151295719.db2.gz VHIXJUNOMVBBRE-CQSZACIVSA-N 2 2 343.221 1.334 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc3c(cc2Br)OCO3)C1 ZINC000358175307 151295723 /nfs/dbraw/zinc/29/57/23/151295723.db2.gz VHIXJUNOMVBBRE-CQSZACIVSA-N 2 2 343.221 1.334 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1=O ZINC000358183157 151297654 /nfs/dbraw/zinc/29/76/54/151297654.db2.gz DQTTWQIURAHICX-LIEJCIORSA-N 2 2 342.487 1.891 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1=O ZINC000358183157 151297656 /nfs/dbraw/zinc/29/76/56/151297656.db2.gz DQTTWQIURAHICX-LIEJCIORSA-N 2 2 342.487 1.891 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000360568427 152101309 /nfs/dbraw/zinc/10/13/09/152101309.db2.gz KMHDPQVNQIDGNK-FQEVSTJZSA-N 2 2 338.455 1.738 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000360568427 152101310 /nfs/dbraw/zinc/10/13/10/152101310.db2.gz KMHDPQVNQIDGNK-FQEVSTJZSA-N 2 2 338.455 1.738 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000360857618 152231597 /nfs/dbraw/zinc/23/15/97/152231597.db2.gz HUFLMRBHPBERRW-GJZGRUSLSA-N 2 2 337.468 1.356 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000360857618 152231599 /nfs/dbraw/zinc/23/15/99/152231599.db2.gz HUFLMRBHPBERRW-GJZGRUSLSA-N 2 2 337.468 1.356 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000360953860 152262549 /nfs/dbraw/zinc/26/25/49/152262549.db2.gz JNQRKPVWJQJKRF-IAGOWNOFSA-N 3 2 325.497 1.866 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)[NH+](C)C ZINC000361018644 152281055 /nfs/dbraw/zinc/28/10/55/152281055.db2.gz OGLQPUSXQGMAFT-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000361120275 152311221 /nfs/dbraw/zinc/31/12/21/152311221.db2.gz BIHGQNWIEXNYNT-UHFFFAOYSA-N 2 2 325.840 1.394 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CC(=O)N1CCNC1=O ZINC000370171296 155362563 /nfs/dbraw/zinc/36/25/63/155362563.db2.gz YDBCSUVVIVVRFR-DOTOQJQBSA-N 2 2 344.459 1.381 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CC(=O)N1CCNC1=O ZINC000370171296 155362568 /nfs/dbraw/zinc/36/25/68/155362568.db2.gz YDBCSUVVIVVRFR-DOTOQJQBSA-N 2 2 344.459 1.381 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CC(=O)N1CCNC1=O ZINC000370171296 155362570 /nfs/dbraw/zinc/36/25/70/155362570.db2.gz YDBCSUVVIVVRFR-DOTOQJQBSA-N 2 2 344.459 1.381 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CC(=O)N1CCNC1=O ZINC000370171296 155362571 /nfs/dbraw/zinc/36/25/71/155362571.db2.gz YDBCSUVVIVVRFR-DOTOQJQBSA-N 2 2 344.459 1.381 20 0 EDADLP CSC[C@@H](O)C[N@@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000363771039 153052427 /nfs/dbraw/zinc/05/24/27/153052427.db2.gz UKUNGNANNOOTPJ-HNNXBMFYSA-N 2 2 326.510 1.696 20 0 EDADLP CSC[C@@H](O)C[N@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000363771039 153052430 /nfs/dbraw/zinc/05/24/30/153052430.db2.gz UKUNGNANNOOTPJ-HNNXBMFYSA-N 2 2 326.510 1.696 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCCCNC1=O)c1ccccc1 ZINC000363817573 153065737 /nfs/dbraw/zinc/06/57/37/153065737.db2.gz JSNBPVHZDGMRKW-DLBZAZTESA-N 2 2 346.475 1.006 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCCCNC1=O)c1ccccc1 ZINC000363817573 153065738 /nfs/dbraw/zinc/06/57/38/153065738.db2.gz JSNBPVHZDGMRKW-DLBZAZTESA-N 2 2 346.475 1.006 20 0 EDADLP CCOCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363822474 153067172 /nfs/dbraw/zinc/06/71/72/153067172.db2.gz OEEYRXHVPQAOOB-INIZCTEOSA-N 2 2 326.485 1.223 20 0 EDADLP CCOCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363822474 153067174 /nfs/dbraw/zinc/06/71/74/153067174.db2.gz OEEYRXHVPQAOOB-INIZCTEOSA-N 2 2 326.485 1.223 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cc1F ZINC000364217059 153177941 /nfs/dbraw/zinc/17/79/41/153177941.db2.gz DURLTISLMSNLNY-BEFAXECRSA-N 2 2 347.434 1.478 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364838565 153348111 /nfs/dbraw/zinc/34/81/11/153348111.db2.gz KQXGSABJCJGVEB-MRXNPFEDSA-N 2 2 332.448 1.137 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364838565 153348114 /nfs/dbraw/zinc/34/81/14/153348114.db2.gz KQXGSABJCJGVEB-MRXNPFEDSA-N 2 2 332.448 1.137 20 0 EDADLP CCn1cnc2c1ncnc2NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364903418 153365796 /nfs/dbraw/zinc/36/57/96/153365796.db2.gz DJQVKKWMGMNHGS-UHFFFAOYSA-N 2 2 343.479 1.817 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1CC ZINC000364915379 153369693 /nfs/dbraw/zinc/36/96/93/153369693.db2.gz LBAJWPXVUAYNAD-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1CC ZINC000364915379 153369696 /nfs/dbraw/zinc/36/96/96/153369696.db2.gz LBAJWPXVUAYNAD-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000367078311 154001537 /nfs/dbraw/zinc/00/15/37/154001537.db2.gz BIVIBWLUTBGJLR-WMZOPIPTSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000367373097 154092820 /nfs/dbraw/zinc/09/28/20/154092820.db2.gz WMMGHRJIPVUBLD-UHFFFAOYSA-N 2 2 337.414 1.918 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000367989047 154356572 /nfs/dbraw/zinc/35/65/72/154356572.db2.gz PANGNYSQEHXTMU-FUHWJXTLSA-N 2 2 331.460 1.660 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368029003 154376012 /nfs/dbraw/zinc/37/60/12/154376012.db2.gz NFJUUHAUXKKANN-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368029003 154376014 /nfs/dbraw/zinc/37/60/14/154376014.db2.gz NFJUUHAUXKKANN-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP O=C1NC[C@@H]2C[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)CC[C@@H]12 ZINC000368066058 154393348 /nfs/dbraw/zinc/39/33/48/154393348.db2.gz WBUJDWWPDQHCSC-GUDVDZBRSA-N 2 2 343.471 1.345 20 0 EDADLP O=C1NC[C@@H]2C[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC[C@@H]12 ZINC000368066058 154393352 /nfs/dbraw/zinc/39/33/52/154393352.db2.gz WBUJDWWPDQHCSC-GUDVDZBRSA-N 2 2 343.471 1.345 20 0 EDADLP O=C1NC[C@@H]2C[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC[C@@H]12 ZINC000368066058 154393355 /nfs/dbraw/zinc/39/33/55/154393355.db2.gz WBUJDWWPDQHCSC-GUDVDZBRSA-N 2 2 343.471 1.345 20 0 EDADLP COc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369393245 155012058 /nfs/dbraw/zinc/01/20/58/155012058.db2.gz LLCCUSWUJLEAQU-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP COc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369393245 155012062 /nfs/dbraw/zinc/01/20/62/155012062.db2.gz LLCCUSWUJLEAQU-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H](O)CC(C)(C)C)C2)CC1 ZINC000369426267 155026420 /nfs/dbraw/zinc/02/64/20/155026420.db2.gz ZANZBTWWTIBEQA-ZBFHGGJFSA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H](O)CC(C)(C)C)C2)CC1 ZINC000369426267 155026424 /nfs/dbraw/zinc/02/64/24/155026424.db2.gz ZANZBTWWTIBEQA-ZBFHGGJFSA-N 2 2 340.512 1.251 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000369523325 155069866 /nfs/dbraw/zinc/06/98/66/155069866.db2.gz UVFPXBCPXPPKAC-HNNXBMFYSA-N 2 2 335.452 1.136 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCn2c(C)c(C)[nH+]c2C1 ZINC000369523325 155069871 /nfs/dbraw/zinc/06/98/71/155069871.db2.gz UVFPXBCPXPPKAC-HNNXBMFYSA-N 2 2 335.452 1.136 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccn([C@@H]3CCC[NH2+]C3)n1)C2 ZINC000369557545 155085576 /nfs/dbraw/zinc/08/55/76/155085576.db2.gz WHCUXCDWISWYPU-ZIAGYGMSSA-N 2 2 328.420 1.057 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000369570413 155091844 /nfs/dbraw/zinc/09/18/44/155091844.db2.gz NNUKXCGJYPLSOU-SJORKVTESA-N 2 2 346.475 1.405 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000369570413 155091850 /nfs/dbraw/zinc/09/18/50/155091850.db2.gz NNUKXCGJYPLSOU-SJORKVTESA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C[N@@H+]1C1CC1 ZINC000371891412 156153675 /nfs/dbraw/zinc/15/36/75/156153675.db2.gz HKVMMNJEUJVMFI-UWWQBHOKSA-N 2 2 328.460 1.787 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C[N@H+]1C1CC1 ZINC000371891412 156153678 /nfs/dbraw/zinc/15/36/78/156153678.db2.gz HKVMMNJEUJVMFI-UWWQBHOKSA-N 2 2 328.460 1.787 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C[NH+]1C1CC1 ZINC000371891412 156153680 /nfs/dbraw/zinc/15/36/80/156153680.db2.gz HKVMMNJEUJVMFI-UWWQBHOKSA-N 2 2 328.460 1.787 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C[NH+]1C1CC1 ZINC000371891412 156153682 /nfs/dbraw/zinc/15/36/82/156153682.db2.gz HKVMMNJEUJVMFI-UWWQBHOKSA-N 2 2 328.460 1.787 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n(C)n1 ZINC000374257047 157215421 /nfs/dbraw/zinc/21/54/21/157215421.db2.gz CASRWZLVQPIDRZ-AWEZNQCLSA-N 2 2 334.468 1.361 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n(C)n1 ZINC000374257047 157215425 /nfs/dbraw/zinc/21/54/25/157215425.db2.gz CASRWZLVQPIDRZ-AWEZNQCLSA-N 2 2 334.468 1.361 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CC[NH+]([C@@H]4CCCCNC4=O)CC3)n2c1 ZINC000374272576 157223183 /nfs/dbraw/zinc/22/31/83/157223183.db2.gz RDLOCEGXDZTPJS-QGZVFWFLSA-N 2 2 341.459 1.429 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374323886 157242492 /nfs/dbraw/zinc/24/24/92/157242492.db2.gz KGFFEQWMKQNTSJ-WMZOPIPTSA-N 2 2 348.491 1.196 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@@H]1C ZINC000374366988 157262618 /nfs/dbraw/zinc/26/26/18/157262618.db2.gz PIBTYZQUHOEPAD-YJBOKZPZSA-N 2 2 346.475 1.535 20 0 EDADLP COCC[N@H+]1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@@H]1C ZINC000374366988 157262619 /nfs/dbraw/zinc/26/26/19/157262619.db2.gz PIBTYZQUHOEPAD-YJBOKZPZSA-N 2 2 346.475 1.535 20 0 EDADLP COCC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[C@@H]1C ZINC000374366988 157262620 /nfs/dbraw/zinc/26/26/20/157262620.db2.gz PIBTYZQUHOEPAD-YJBOKZPZSA-N 2 2 346.475 1.535 20 0 EDADLP COCC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H]1C ZINC000374366988 157262621 /nfs/dbraw/zinc/26/26/21/157262621.db2.gz PIBTYZQUHOEPAD-YJBOKZPZSA-N 2 2 346.475 1.535 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C(C)C ZINC000374420687 157285464 /nfs/dbraw/zinc/28/54/64/157285464.db2.gz MEIKUHIKSXMLSI-YESZJQIVSA-N 2 2 325.497 1.815 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C(C)C ZINC000374420687 157285467 /nfs/dbraw/zinc/28/54/67/157285467.db2.gz MEIKUHIKSXMLSI-YESZJQIVSA-N 2 2 325.497 1.815 20 0 EDADLP COCCCn1nccc1C[NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000374737481 157383189 /nfs/dbraw/zinc/38/31/89/157383189.db2.gz PKXOQAMKFKBJON-SJLPKXTDSA-N 2 2 336.480 1.510 20 0 EDADLP CCc1nn(C)c(CC)c1C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374755835 157389201 /nfs/dbraw/zinc/38/92/01/157389201.db2.gz ULZJLGCFRIWPRS-UHFFFAOYSA-N 2 2 347.507 1.283 20 0 EDADLP CCc1nn(C)c(CC)c1C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374755835 157389203 /nfs/dbraw/zinc/38/92/03/157389203.db2.gz ULZJLGCFRIWPRS-UHFFFAOYSA-N 2 2 347.507 1.283 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000377829107 158003492 /nfs/dbraw/zinc/00/34/92/158003492.db2.gz PLIRETGFKRHXEQ-OAHLLOKOSA-N 2 2 334.464 1.789 20 0 EDADLP C[C@H]1CN(C(=O)c2n[nH]c3ccccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378366016 158153294 /nfs/dbraw/zinc/15/32/94/158153294.db2.gz AIWGRLVFVMYGOO-AWEZNQCLSA-N 2 2 341.459 1.803 20 0 EDADLP C[C@H]1CN(C(=O)c2n[nH]c3ccccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378366016 158153298 /nfs/dbraw/zinc/15/32/98/158153298.db2.gz AIWGRLVFVMYGOO-AWEZNQCLSA-N 2 2 341.459 1.803 20 0 EDADLP CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378433932 158173003 /nfs/dbraw/zinc/17/30/03/158173003.db2.gz JZSOQMKUJLIRFA-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378433932 158173004 /nfs/dbraw/zinc/17/30/04/158173004.db2.gz JZSOQMKUJLIRFA-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C[C@@H](C)O ZINC000352211663 162053645 /nfs/dbraw/zinc/05/36/45/162053645.db2.gz LHIIJMPMBSTRDJ-QGZVFWFLSA-N 2 2 333.476 1.342 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)C[C@@H](C)O ZINC000352211663 162053648 /nfs/dbraw/zinc/05/36/48/162053648.db2.gz LHIIJMPMBSTRDJ-QGZVFWFLSA-N 2 2 333.476 1.342 20 0 EDADLP CCCCNC(=O)NC(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352364593 162142640 /nfs/dbraw/zinc/14/26/40/162142640.db2.gz GJCNSIWEYKCYKH-UHFFFAOYSA-N 2 2 348.447 1.859 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333872860 287154774 /nfs/dbraw/zinc/15/47/74/287154774.db2.gz UWMHFCNUIPYZCJ-VYDXJSESSA-N 2 2 331.464 1.468 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000075713873 287278356 /nfs/dbraw/zinc/27/83/56/287278356.db2.gz GBHJWXGTQGZNIW-UHFFFAOYSA-N 2 2 343.471 1.404 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000081572852 287313982 /nfs/dbraw/zinc/31/39/82/287313982.db2.gz RYHQDHJCMFZEPL-NSHDSACASA-N 2 2 338.374 1.038 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000081572852 287313984 /nfs/dbraw/zinc/31/39/84/287313984.db2.gz RYHQDHJCMFZEPL-NSHDSACASA-N 2 2 338.374 1.038 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000081572852 287313986 /nfs/dbraw/zinc/31/39/86/287313986.db2.gz RYHQDHJCMFZEPL-NSHDSACASA-N 2 2 338.374 1.038 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000081572852 287313989 /nfs/dbraw/zinc/31/39/89/287313989.db2.gz RYHQDHJCMFZEPL-NSHDSACASA-N 2 2 338.374 1.038 20 0 EDADLP COCOc1ccc(OC)cc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000164105489 226045145 /nfs/dbraw/zinc/04/51/45/226045145.db2.gz ZNDRXIBNWYTHEE-UHFFFAOYSA-N 2 2 338.448 1.614 20 0 EDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000165969018 226142179 /nfs/dbraw/zinc/14/21/79/226142179.db2.gz NAASPHUQOKNYKH-LJQANCHMSA-N 2 2 344.503 1.091 20 0 EDADLP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CSC[NH2+]1 ZINC000166706814 226166472 /nfs/dbraw/zinc/16/64/72/226166472.db2.gz AORAAHCWIPEULN-OAHLLOKOSA-N 2 2 337.514 1.879 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000123036597 222205484 /nfs/dbraw/zinc/20/54/84/222205484.db2.gz TVIVWRMOUDDSEK-ZBFHGGJFSA-N 2 2 349.475 1.735 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000123036597 222205488 /nfs/dbraw/zinc/20/54/88/222205488.db2.gz TVIVWRMOUDDSEK-ZBFHGGJFSA-N 2 2 349.475 1.735 20 0 EDADLP COc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123036597 222205492 /nfs/dbraw/zinc/20/54/92/222205492.db2.gz TVIVWRMOUDDSEK-ZBFHGGJFSA-N 2 2 349.475 1.735 20 0 EDADLP COc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000123036597 222205498 /nfs/dbraw/zinc/20/54/98/222205498.db2.gz TVIVWRMOUDDSEK-ZBFHGGJFSA-N 2 2 349.475 1.735 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000123072082 222211564 /nfs/dbraw/zinc/21/15/64/222211564.db2.gz GWNGFAAPTRYRGH-DZGCQCFKSA-N 2 2 333.432 1.811 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000123072082 222211566 /nfs/dbraw/zinc/21/15/66/222211566.db2.gz GWNGFAAPTRYRGH-DZGCQCFKSA-N 2 2 333.432 1.811 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000123072082 222211570 /nfs/dbraw/zinc/21/15/70/222211570.db2.gz GWNGFAAPTRYRGH-DZGCQCFKSA-N 2 2 333.432 1.811 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000123072082 222211574 /nfs/dbraw/zinc/21/15/74/222211574.db2.gz GWNGFAAPTRYRGH-DZGCQCFKSA-N 2 2 333.432 1.811 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123163716 222228316 /nfs/dbraw/zinc/22/83/16/222228316.db2.gz QJKLISFAGITIED-GOEBONIOSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+]1C ZINC000123163716 222228320 /nfs/dbraw/zinc/22/83/20/222228320.db2.gz QJKLISFAGITIED-GOEBONIOSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(S(=O)(=O)N(C)C)c2)CC[NH+]1C ZINC000123163716 222228322 /nfs/dbraw/zinc/22/83/22/222228322.db2.gz QJKLISFAGITIED-GOEBONIOSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(S(=O)(=O)N(C)C)c2)CC[NH+]1C ZINC000123163716 222228326 /nfs/dbraw/zinc/22/83/26/222228326.db2.gz QJKLISFAGITIED-GOEBONIOSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[N@@H+]1C ZINC000123546105 222294833 /nfs/dbraw/zinc/29/48/33/222294833.db2.gz MUDUYAPYJXVPIW-LSDHHAIUSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[N@H+]1C ZINC000123546105 222294834 /nfs/dbraw/zinc/29/48/34/222294834.db2.gz MUDUYAPYJXVPIW-LSDHHAIUSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[NH+]1C ZINC000123546105 222294839 /nfs/dbraw/zinc/29/48/39/222294839.db2.gz MUDUYAPYJXVPIW-LSDHHAIUSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[NH+]1C ZINC000123546105 222294840 /nfs/dbraw/zinc/29/48/40/222294840.db2.gz MUDUYAPYJXVPIW-LSDHHAIUSA-N 2 2 340.489 1.883 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)s1 ZINC000418396758 304491039 /nfs/dbraw/zinc/49/10/39/304491039.db2.gz CYDQUPLEZNSGHY-AWEZNQCLSA-N 2 2 325.482 1.262 20 0 EDADLP COc1ccc([C@@H](NC(=O)C[C@H]2CC[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000130345570 287491059 /nfs/dbraw/zinc/49/10/59/287491059.db2.gz ATAMSWPLJOFJJI-CXAGYDPISA-N 2 2 328.416 1.634 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000193870956 272999282 /nfs/dbraw/zinc/99/92/82/272999282.db2.gz XWZMIPWHPJYNHL-UHFFFAOYSA-N 2 2 333.476 1.990 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000072861086 267394662 /nfs/dbraw/zinc/39/46/62/267394662.db2.gz IIKSVWMPIBKPKG-HNNXBMFYSA-N 2 2 325.478 1.239 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000072861086 267394667 /nfs/dbraw/zinc/39/46/67/267394667.db2.gz IIKSVWMPIBKPKG-HNNXBMFYSA-N 2 2 325.478 1.239 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000072861086 267394670 /nfs/dbraw/zinc/39/46/70/267394670.db2.gz IIKSVWMPIBKPKG-HNNXBMFYSA-N 2 2 325.478 1.239 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000072861086 267394672 /nfs/dbraw/zinc/39/46/72/267394672.db2.gz IIKSVWMPIBKPKG-HNNXBMFYSA-N 2 2 325.478 1.239 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)cn2c1 ZINC000273479892 268048799 /nfs/dbraw/zinc/04/87/99/268048799.db2.gz QFVUZRWDDSUMFE-GJZGRUSLSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)cn2c1 ZINC000273479892 268048803 /nfs/dbraw/zinc/04/88/03/268048803.db2.gz QFVUZRWDDSUMFE-GJZGRUSLSA-N 2 2 345.447 1.239 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000274232994 268115331 /nfs/dbraw/zinc/11/53/31/268115331.db2.gz SXBNQNULWJIUOS-KRWDZBQOSA-N 2 2 338.423 1.866 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000274640247 268173940 /nfs/dbraw/zinc/17/39/40/268173940.db2.gz RAORBJIEERKASE-QGZVFWFLSA-N 3 2 331.508 1.666 20 0 EDADLP Cc1cc(C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)[nH]n1 ZINC000275564179 268361331 /nfs/dbraw/zinc/36/13/31/268361331.db2.gz FYNOZXQYPJEWLH-AWEZNQCLSA-N 2 2 328.420 1.236 20 0 EDADLP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000275660662 268368843 /nfs/dbraw/zinc/36/88/43/268368843.db2.gz LBHHOTZQSOYCJM-JYJNAYRXSA-N 2 2 334.443 1.597 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccsc2)CC1 ZINC000274250795 273079990 /nfs/dbraw/zinc/07/99/90/273079990.db2.gz YVWHLADZMFAOIU-HNNXBMFYSA-N 2 2 326.462 1.789 20 0 EDADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cn[nH]c1 ZINC000275160136 273105025 /nfs/dbraw/zinc/10/50/25/273105025.db2.gz IQEMXSXDXVGYCS-AWEZNQCLSA-N 2 2 343.431 1.531 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663913438 452638816 /nfs/dbraw/zinc/63/88/16/452638816.db2.gz XRNZGPXLEIJHQW-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663913438 452638823 /nfs/dbraw/zinc/63/88/23/452638823.db2.gz XRNZGPXLEIJHQW-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1ccncc1F)[C@@H]1CC12CC[NH2+]CC2 ZINC000275734261 273123610 /nfs/dbraw/zinc/12/36/10/273123610.db2.gz PQWLMMRZTCBACO-OAHLLOKOSA-N 2 2 343.406 1.739 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1cnsn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275845023 273131195 /nfs/dbraw/zinc/13/11/95/273131195.db2.gz XZQUNUJDSBSESH-GFCCVEGCSA-N 2 2 332.433 1.056 20 0 EDADLP CCOCC[C@H](O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000277639581 273213380 /nfs/dbraw/zinc/21/33/80/273213380.db2.gz HNKKMUAOOAUXIS-IBGZPJMESA-N 2 2 335.492 1.808 20 0 EDADLP CCOCC[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000277639581 273213381 /nfs/dbraw/zinc/21/33/81/273213381.db2.gz HNKKMUAOOAUXIS-IBGZPJMESA-N 2 2 335.492 1.808 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)c[nH+]1 ZINC000277924000 273235518 /nfs/dbraw/zinc/23/55/18/273235518.db2.gz QFOVKFKHRINMSG-UHFFFAOYSA-N 2 2 331.464 1.821 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000280142864 273345853 /nfs/dbraw/zinc/34/58/53/273345853.db2.gz HFKNYZJCNRAXSH-HOTGVXAUSA-N 2 2 344.459 1.754 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000280142864 273345855 /nfs/dbraw/zinc/34/58/55/273345855.db2.gz HFKNYZJCNRAXSH-HOTGVXAUSA-N 2 2 344.459 1.754 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000284076279 274071939 /nfs/dbraw/zinc/07/19/39/274071939.db2.gz UZERDHSWTDMQAC-OAHLLOKOSA-N 2 2 337.468 1.016 20 0 EDADLP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000284110843 274083945 /nfs/dbraw/zinc/08/39/45/274083945.db2.gz CDBTYWDQOIJHTA-QZTJIDSGSA-N 2 2 335.492 1.794 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000284362728 274175137 /nfs/dbraw/zinc/17/51/37/274175137.db2.gz KTPUFEMUYUTQSD-RTQGNFRKSA-N 2 2 340.427 1.422 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000284362728 274175140 /nfs/dbraw/zinc/17/51/40/274175140.db2.gz KTPUFEMUYUTQSD-RTQGNFRKSA-N 2 2 340.427 1.422 20 0 EDADLP C[C@@]1(C(N)=O)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284774497 274326975 /nfs/dbraw/zinc/32/69/75/274326975.db2.gz MWUOTUJXXNBNSR-IEBWSBKVSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284774497 274326978 /nfs/dbraw/zinc/32/69/78/274326978.db2.gz MWUOTUJXXNBNSR-IEBWSBKVSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@@]1(C(N)=O)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284774497 274326981 /nfs/dbraw/zinc/32/69/81/274326981.db2.gz MWUOTUJXXNBNSR-IEBWSBKVSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@@]1(C(N)=O)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284774497 274326984 /nfs/dbraw/zinc/32/69/84/274326984.db2.gz MWUOTUJXXNBNSR-IEBWSBKVSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248873680 287782646 /nfs/dbraw/zinc/78/26/46/287782646.db2.gz LPKJMYZBCCKUND-BRWVUGGUSA-N 2 2 340.512 1.374 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000270807457 276093614 /nfs/dbraw/zinc/09/36/14/276093614.db2.gz OREWDKPBUCTFSJ-PKOBYXMFSA-N 2 2 331.460 1.131 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000236885704 276119285 /nfs/dbraw/zinc/11/92/85/276119285.db2.gz LOKFOWQLQAVCFB-HZPDHXFCSA-N 2 2 339.867 1.828 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2C(N)=O)[C@H](C)C1 ZINC000174774498 276224318 /nfs/dbraw/zinc/22/43/18/276224318.db2.gz JSRLMPCKQHHFDU-CJNGLKHVSA-N 2 2 332.448 1.386 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2C(N)=O)[C@H](C)C1 ZINC000174774498 276224320 /nfs/dbraw/zinc/22/43/20/276224320.db2.gz JSRLMPCKQHHFDU-CJNGLKHVSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2C(N)=O)[C@H](C)C1 ZINC000174774498 276224322 /nfs/dbraw/zinc/22/43/22/276224322.db2.gz JSRLMPCKQHHFDU-CJNGLKHVSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2C(N)=O)[C@H](C)C1 ZINC000174774498 276224325 /nfs/dbraw/zinc/22/43/25/276224325.db2.gz JSRLMPCKQHHFDU-CJNGLKHVSA-N 2 2 332.448 1.386 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940887 276248401 /nfs/dbraw/zinc/24/84/01/276248401.db2.gz GYORADQFHQKXRZ-MRXNPFEDSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940887 276248402 /nfs/dbraw/zinc/24/84/02/276248402.db2.gz GYORADQFHQKXRZ-MRXNPFEDSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940887 276248403 /nfs/dbraw/zinc/24/84/03/276248403.db2.gz GYORADQFHQKXRZ-MRXNPFEDSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940887 276248404 /nfs/dbraw/zinc/24/84/04/276248404.db2.gz GYORADQFHQKXRZ-MRXNPFEDSA-N 3 2 336.524 1.393 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCn4ccnc43)C2)CC1 ZINC000370020509 277028840 /nfs/dbraw/zinc/02/88/40/277028840.db2.gz UGOSVJCQUPANCC-HOCLYGCPSA-N 2 2 331.464 1.045 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCn4ccnc43)C2)CC1 ZINC000370020509 277028842 /nfs/dbraw/zinc/02/88/42/277028842.db2.gz UGOSVJCQUPANCC-HOCLYGCPSA-N 2 2 331.464 1.045 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152427907 277077789 /nfs/dbraw/zinc/07/77/89/277077789.db2.gz FWTDGIGIYFSPKW-HNNXBMFYSA-N 2 2 332.448 1.857 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152427907 277077790 /nfs/dbraw/zinc/07/77/90/277077790.db2.gz FWTDGIGIYFSPKW-HNNXBMFYSA-N 2 2 332.448 1.857 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000152427907 277077792 /nfs/dbraw/zinc/07/77/92/277077792.db2.gz FWTDGIGIYFSPKW-HNNXBMFYSA-N 2 2 332.448 1.857 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000152427907 277077794 /nfs/dbraw/zinc/07/77/94/277077794.db2.gz FWTDGIGIYFSPKW-HNNXBMFYSA-N 2 2 332.448 1.857 20 0 EDADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000372571984 277095695 /nfs/dbraw/zinc/09/56/95/277095695.db2.gz QGXBSOGRGCMSSF-FGTMMUONSA-N 2 2 349.519 1.865 20 0 EDADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000372571984 277095698 /nfs/dbraw/zinc/09/56/98/277095698.db2.gz QGXBSOGRGCMSSF-FGTMMUONSA-N 2 2 349.519 1.865 20 0 EDADLP C[N@@H+]1CC[C@H]2CC[NH+](CCOCCNC(=O)OC(C)(C)C)[C@H]2C1 ZINC000367667527 277177133 /nfs/dbraw/zinc/17/71/33/277177133.db2.gz BVRTVCGHNVKTSS-GJZGRUSLSA-N 2 2 327.469 1.554 20 0 EDADLP C[N@H+]1CC[C@H]2CC[NH+](CCOCCNC(=O)OC(C)(C)C)[C@H]2C1 ZINC000367667527 277177134 /nfs/dbraw/zinc/17/71/34/277177134.db2.gz BVRTVCGHNVKTSS-GJZGRUSLSA-N 2 2 327.469 1.554 20 0 EDADLP C[NH+]1CC[C@H]2CC[N@H+](CCOCCNC(=O)OC(C)(C)C)[C@H]2C1 ZINC000367667527 277177135 /nfs/dbraw/zinc/17/71/35/277177135.db2.gz BVRTVCGHNVKTSS-GJZGRUSLSA-N 2 2 327.469 1.554 20 0 EDADLP C[NH+]1CC[C@H]2CC[N@@H+](CCOCCNC(=O)OC(C)(C)C)[C@H]2C1 ZINC000367667527 277177136 /nfs/dbraw/zinc/17/71/36/277177136.db2.gz BVRTVCGHNVKTSS-GJZGRUSLSA-N 2 2 327.469 1.554 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000362732419 277212064 /nfs/dbraw/zinc/21/20/64/277212064.db2.gz BLISRYGDMFUHKG-FUHWJXTLSA-N 2 2 344.459 1.289 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000362732419 277212066 /nfs/dbraw/zinc/21/20/66/277212066.db2.gz BLISRYGDMFUHKG-FUHWJXTLSA-N 2 2 344.459 1.289 20 0 EDADLP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424339052 278180925 /nfs/dbraw/zinc/18/09/25/278180925.db2.gz VJVGCLLOLRPKTR-CHWSQXEVSA-N 2 2 330.432 1.610 20 0 EDADLP C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CCO2 ZINC000420968350 279056504 /nfs/dbraw/zinc/05/65/04/279056504.db2.gz WCWDHLSEEFSWSX-PXNSSMCTSA-N 2 2 346.471 1.899 20 0 EDADLP C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CCO2 ZINC000420968350 279056505 /nfs/dbraw/zinc/05/65/05/279056505.db2.gz WCWDHLSEEFSWSX-PXNSSMCTSA-N 2 2 346.471 1.899 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341576077 279125797 /nfs/dbraw/zinc/12/57/97/279125797.db2.gz YMHRDYLZLOFSHP-OWCLPIDISA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341576077 279125800 /nfs/dbraw/zinc/12/58/00/279125800.db2.gz YMHRDYLZLOFSHP-OWCLPIDISA-N 2 2 326.485 1.077 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000286860429 288106756 /nfs/dbraw/zinc/10/67/56/288106756.db2.gz BDRPNZSAOPBODR-UHFFFAOYSA-N 2 2 346.475 1.235 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000286860429 288106757 /nfs/dbraw/zinc/10/67/57/288106757.db2.gz BDRPNZSAOPBODR-UHFFFAOYSA-N 2 2 346.475 1.235 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237443490 279228913 /nfs/dbraw/zinc/22/89/13/279228913.db2.gz KLVIYHQLFKGDAH-IIDMSEBBSA-N 2 2 348.466 1.580 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)C(=O)NC2CC2)[C@@H]1c1cnn(C)c1 ZINC000372533028 279292562 /nfs/dbraw/zinc/29/25/62/279292562.db2.gz QCCXXHUUDFDVCO-RVKKMQEKSA-N 2 2 347.507 1.792 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)C(=O)NC2CC2)[C@@H]1c1cnn(C)c1 ZINC000372533028 279292563 /nfs/dbraw/zinc/29/25/63/279292563.db2.gz QCCXXHUUDFDVCO-RVKKMQEKSA-N 2 2 347.507 1.792 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)C(=O)NC2CC2)[C@@H]1c1cnn(C)c1 ZINC000372533028 279292564 /nfs/dbraw/zinc/29/25/64/279292564.db2.gz QCCXXHUUDFDVCO-RVKKMQEKSA-N 2 2 347.507 1.792 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NC2CC2)[C@@H]1c1cnn(C)c1 ZINC000372533028 279292565 /nfs/dbraw/zinc/29/25/65/279292565.db2.gz QCCXXHUUDFDVCO-RVKKMQEKSA-N 2 2 347.507 1.792 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)O1 ZINC000342474136 288191916 /nfs/dbraw/zinc/19/19/16/288191916.db2.gz PBAYINPPAPAHOS-FQBWVUSXSA-N 2 2 337.508 1.423 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)O1 ZINC000342474136 288191917 /nfs/dbraw/zinc/19/19/17/288191917.db2.gz PBAYINPPAPAHOS-FQBWVUSXSA-N 2 2 337.508 1.423 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](C)CC3)C2=O)c(OC)c1 ZINC000287251444 288191998 /nfs/dbraw/zinc/19/19/98/288191998.db2.gz ZLIUDSUSNOLDFW-KRWDZBQOSA-N 2 2 347.459 1.489 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc[nH+]1 ZINC000378353518 280295654 /nfs/dbraw/zinc/29/56/54/280295654.db2.gz GBKUAQLRUDFYRN-IAOVAPTHSA-N 2 2 332.448 1.823 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc[nH+]1 ZINC000378353518 280295657 /nfs/dbraw/zinc/29/56/57/280295657.db2.gz GBKUAQLRUDFYRN-IAOVAPTHSA-N 2 2 332.448 1.823 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)cn2c1 ZINC000272525011 281154863 /nfs/dbraw/zinc/15/48/63/281154863.db2.gz ZYKUBFXWJQQCBI-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cn2c1 ZINC000272525011 281154869 /nfs/dbraw/zinc/15/48/69/281154869.db2.gz ZYKUBFXWJQQCBI-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP CO[C@H](C[NH3+])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000289844793 288789579 /nfs/dbraw/zinc/78/95/79/288789579.db2.gz FJVMLQFMPAEOHF-UONOGXRCSA-N 2 2 343.830 1.706 20 0 EDADLP CC(C)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000291940505 289221307 /nfs/dbraw/zinc/22/13/07/289221307.db2.gz UAPGSUYLWVWKEW-KRWDZBQOSA-N 2 2 346.475 1.620 20 0 EDADLP CC(C)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000291940505 289221308 /nfs/dbraw/zinc/22/13/08/289221308.db2.gz UAPGSUYLWVWKEW-KRWDZBQOSA-N 2 2 346.475 1.620 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292043978 289246811 /nfs/dbraw/zinc/24/68/11/289246811.db2.gz AXHVYTIWELRVHE-SFHVURJKSA-N 2 2 346.431 1.371 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292043978 289246814 /nfs/dbraw/zinc/24/68/14/289246814.db2.gz AXHVYTIWELRVHE-SFHVURJKSA-N 2 2 346.431 1.371 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292043978 289246815 /nfs/dbraw/zinc/24/68/15/289246815.db2.gz AXHVYTIWELRVHE-SFHVURJKSA-N 2 2 346.431 1.371 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292043978 289246818 /nfs/dbraw/zinc/24/68/18/289246818.db2.gz AXHVYTIWELRVHE-SFHVURJKSA-N 2 2 346.431 1.371 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)c[nH+]2)CCO1 ZINC000292166506 289279011 /nfs/dbraw/zinc/27/90/11/289279011.db2.gz VOJHMYMCHCRVDT-HOCLYGCPSA-N 2 2 332.448 1.455 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000176611682 289305825 /nfs/dbraw/zinc/30/58/25/289305825.db2.gz HUCXROWULAHSMM-GVDBMIGSSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(C(=O)N(C)C)cc1 ZINC000292355986 289324436 /nfs/dbraw/zinc/32/44/36/289324436.db2.gz YLEOFBWYZDRYMK-YOEHRIQHSA-N 2 2 346.475 1.379 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(C(=O)N(C)C)cc1 ZINC000292355986 289324439 /nfs/dbraw/zinc/32/44/39/289324439.db2.gz YLEOFBWYZDRYMK-YOEHRIQHSA-N 2 2 346.475 1.379 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)[C@@H](C[NH3+])C1 ZINC000493414063 290006247 /nfs/dbraw/zinc/00/62/47/290006247.db2.gz BKVNYNYHVWUFOP-DLGQBQFBSA-N 2 2 337.807 1.183 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)[C@@H](C[NH3+])C1 ZINC000493414063 290006248 /nfs/dbraw/zinc/00/62/48/290006248.db2.gz BKVNYNYHVWUFOP-DLGQBQFBSA-N 2 2 337.807 1.183 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662238059 452968179 /nfs/dbraw/zinc/96/81/79/452968179.db2.gz QYNYFYVDFLTSGD-CHWSQXEVSA-N 2 2 337.386 1.192 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662238059 452968186 /nfs/dbraw/zinc/96/81/86/452968186.db2.gz QYNYFYVDFLTSGD-CHWSQXEVSA-N 2 2 337.386 1.192 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CCN1C ZINC000355873496 294420176 /nfs/dbraw/zinc/42/01/76/294420176.db2.gz MHFOIYAABHCAAY-KGLIPLIRSA-N 2 2 328.420 1.009 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)CC1 ZINC000422010971 447306650 /nfs/dbraw/zinc/30/66/50/447306650.db2.gz CKWAOASHXBYZSQ-SJLPKXTDSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)CC1 ZINC000422010971 447306653 /nfs/dbraw/zinc/30/66/53/447306653.db2.gz CKWAOASHXBYZSQ-SJLPKXTDSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000422010971 447306657 /nfs/dbraw/zinc/30/66/57/447306657.db2.gz CKWAOASHXBYZSQ-SJLPKXTDSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000422010971 447306660 /nfs/dbraw/zinc/30/66/60/447306660.db2.gz CKWAOASHXBYZSQ-SJLPKXTDSA-N 3 2 336.524 1.203 20 0 EDADLP Cc1cc(C)n([C@H](C)C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000354986068 301251074 /nfs/dbraw/zinc/25/10/74/301251074.db2.gz WCVWDNQTXFKBCE-DLBZAZTESA-N 2 2 347.507 1.688 20 0 EDADLP Cc1cc(C)n([C@H](C)C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000354986068 301251075 /nfs/dbraw/zinc/25/10/75/301251075.db2.gz WCVWDNQTXFKBCE-DLBZAZTESA-N 2 2 347.507 1.688 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420379712 304753862 /nfs/dbraw/zinc/75/38/62/304753862.db2.gz YAEOLLNKNFINLW-GDZNZVCISA-N 2 2 332.448 1.351 20 0 EDADLP C[N@H+](CCCNC(=O)C(=O)Nc1ccc(N)[nH+]c1)C1CCCCC1 ZINC000414705955 447317702 /nfs/dbraw/zinc/31/77/02/447317702.db2.gz OJVGBUNSHALIED-UHFFFAOYSA-N 2 2 333.436 1.373 20 0 EDADLP C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(N)[nH+]c1)C1CCCCC1 ZINC000414705955 447317711 /nfs/dbraw/zinc/31/77/11/447317711.db2.gz OJVGBUNSHALIED-UHFFFAOYSA-N 2 2 333.436 1.373 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000293779522 303017339 /nfs/dbraw/zinc/01/73/39/303017339.db2.gz QANPQIIYVHNFCI-IRXDYDNUSA-N 2 2 347.438 1.860 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000343242598 303082205 /nfs/dbraw/zinc/08/22/05/303082205.db2.gz MAFYMGMYQKEWGA-JENIJYKNSA-N 2 2 348.491 1.542 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000343242598 303082206 /nfs/dbraw/zinc/08/22/06/303082206.db2.gz MAFYMGMYQKEWGA-JENIJYKNSA-N 2 2 348.491 1.542 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000295325501 303205126 /nfs/dbraw/zinc/20/51/26/303205126.db2.gz ZFTMSYOSCWNJIZ-HZPDHXFCSA-N 2 2 333.480 1.096 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H](C)[NH2+]C3CC3)CC2)c1 ZINC000295687877 303252938 /nfs/dbraw/zinc/25/29/38/303252938.db2.gz LLNAKZMADIGQKD-OAHLLOKOSA-N 2 2 347.459 1.359 20 0 EDADLP Cc1cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cn2cc[nH+]c12 ZINC000296788707 303338308 /nfs/dbraw/zinc/33/83/08/303338308.db2.gz GRSXZRYDCIETBG-OAHLLOKOSA-N 2 2 344.463 1.790 20 0 EDADLP Cc1cc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000296788707 303338310 /nfs/dbraw/zinc/33/83/10/303338310.db2.gz GRSXZRYDCIETBG-OAHLLOKOSA-N 2 2 344.463 1.790 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208431 447328060 /nfs/dbraw/zinc/32/80/60/447328060.db2.gz IIPPXWCIPSTYIC-JZXOWHBKSA-N 2 2 333.476 1.593 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208431 447328061 /nfs/dbraw/zinc/32/80/61/447328061.db2.gz IIPPXWCIPSTYIC-JZXOWHBKSA-N 2 2 333.476 1.593 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208431 447328065 /nfs/dbraw/zinc/32/80/65/447328065.db2.gz IIPPXWCIPSTYIC-JZXOWHBKSA-N 2 2 333.476 1.593 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208431 447328069 /nfs/dbraw/zinc/32/80/69/447328069.db2.gz IIPPXWCIPSTYIC-JZXOWHBKSA-N 2 2 333.476 1.593 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000302091793 303712097 /nfs/dbraw/zinc/71/20/97/303712097.db2.gz HHBANSDNTWBKNU-HZPDHXFCSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@]1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C[C@H]1c1ccc(F)cc1 ZINC000423069971 304832088 /nfs/dbraw/zinc/83/20/88/304832088.db2.gz BXEKOQXVTQFRTD-INDMIFKZSA-N 2 2 334.435 1.648 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422937254 304880487 /nfs/dbraw/zinc/88/04/87/304880487.db2.gz JDJGTOONTYZVEG-IAGOWNOFSA-N 2 2 339.505 1.947 20 0 EDADLP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423081023 304884531 /nfs/dbraw/zinc/88/45/31/304884531.db2.gz CFUAPSIOXSWZAJ-DZOHQFGASA-N 2 2 334.464 1.337 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCn1cc(Br)cn1 ZINC000423082870 304884848 /nfs/dbraw/zinc/88/48/48/304884848.db2.gz DYGZRYOILPILSR-OCCSQVGLSA-N 2 2 345.285 1.782 20 0 EDADLP c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(N2CCOCC2)c1 ZINC000423133511 304888179 /nfs/dbraw/zinc/88/81/79/304888179.db2.gz KVZQDRRZKQAUCR-MOPGFXCFSA-N 2 2 331.460 1.380 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000428037864 305004836 /nfs/dbraw/zinc/00/48/36/305004836.db2.gz LJEHOUWIGMGLLC-WMLDXEAASA-N 2 2 338.455 1.736 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000428037864 305004837 /nfs/dbraw/zinc/00/48/37/305004837.db2.gz LJEHOUWIGMGLLC-WMLDXEAASA-N 2 2 338.455 1.736 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)ncn1 ZINC000428245890 305008742 /nfs/dbraw/zinc/00/87/42/305008742.db2.gz XJPGZVZFQLPJTG-GOSISDBHSA-N 2 2 333.480 1.012 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)ncn1 ZINC000428245890 305008743 /nfs/dbraw/zinc/00/87/43/305008743.db2.gz XJPGZVZFQLPJTG-GOSISDBHSA-N 2 2 333.480 1.012 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC([NH3+])CC2)c(OC)c1 ZINC000429772641 305036553 /nfs/dbraw/zinc/03/65/53/305036553.db2.gz OKZJNOVUQDXIMU-KRWDZBQOSA-N 2 2 347.459 1.790 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1OC ZINC000430589241 305057465 /nfs/dbraw/zinc/05/74/65/305057465.db2.gz DBSLZYOECCIQEJ-YJYMSZOUSA-N 2 2 349.475 1.988 20 0 EDADLP [NH3+]C[C@@H]1CCCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000430604522 305058304 /nfs/dbraw/zinc/05/83/04/305058304.db2.gz QNHMIRBGFZDSEB-ZDUSSCGKSA-N 2 2 337.493 1.348 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000430615837 305059107 /nfs/dbraw/zinc/05/91/07/305059107.db2.gz DHAIQDKOIIGQDM-GOSISDBHSA-N 2 2 333.476 1.899 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000430615837 305059108 /nfs/dbraw/zinc/05/91/08/305059108.db2.gz DHAIQDKOIIGQDM-GOSISDBHSA-N 2 2 333.476 1.899 20 0 EDADLP [NH3+]C[C@@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000430894056 305067238 /nfs/dbraw/zinc/06/72/38/305067238.db2.gz LBNWHXRFBYNDFS-GFCCVEGCSA-N 2 2 326.322 1.804 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430924105 305068528 /nfs/dbraw/zinc/06/85/28/305068528.db2.gz HJDCZDMKQFQAKC-BXUZGUMPSA-N 2 2 325.840 1.634 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430924105 305068529 /nfs/dbraw/zinc/06/85/29/305068529.db2.gz HJDCZDMKQFQAKC-BXUZGUMPSA-N 2 2 325.840 1.634 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCCO[C@H](C)c2ccccc2)C1 ZINC000430925837 305068734 /nfs/dbraw/zinc/06/87/34/305068734.db2.gz MRPGZDGVBJAUQA-IAGOWNOFSA-N 2 2 333.476 1.812 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCCO[C@H](C)c2ccccc2)C1 ZINC000430925837 305068735 /nfs/dbraw/zinc/06/87/35/305068735.db2.gz MRPGZDGVBJAUQA-IAGOWNOFSA-N 2 2 333.476 1.812 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)CC2 ZINC000430960848 305071008 /nfs/dbraw/zinc/07/10/08/305071008.db2.gz LTYWELOQJIMBOP-XJKSGUPXSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)CC2 ZINC000430960848 305071009 /nfs/dbraw/zinc/07/10/09/305071009.db2.gz LTYWELOQJIMBOP-XJKSGUPXSA-N 2 2 347.459 1.258 20 0 EDADLP [NH3+]C1CC[NH+](CCCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000433113130 305100510 /nfs/dbraw/zinc/10/05/10/305100510.db2.gz DELSOAAFAKINQY-UHFFFAOYSA-N 3 2 345.491 1.501 20 0 EDADLP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000433932026 305115028 /nfs/dbraw/zinc/11/50/28/305115028.db2.gz PPKDANVGONRRAM-MRXNPFEDSA-N 2 2 338.496 1.272 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000434392280 305121611 /nfs/dbraw/zinc/12/16/11/305121611.db2.gz ZUVYSYLXAVMFSX-KRWDZBQOSA-N 2 2 342.528 1.857 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000434629779 305125416 /nfs/dbraw/zinc/12/54/16/305125416.db2.gz IRLNKJKVHYDJPG-ZDUSSCGKSA-N 2 2 330.392 1.304 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000434629779 305125417 /nfs/dbraw/zinc/12/54/17/305125417.db2.gz IRLNKJKVHYDJPG-ZDUSSCGKSA-N 2 2 330.392 1.304 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1cn(C)nn1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423131 305140355 /nfs/dbraw/zinc/14/03/55/305140355.db2.gz RWBFDJODGCJEJG-HNNXBMFYSA-N 2 2 329.452 1.176 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1cnnn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433754 305140393 /nfs/dbraw/zinc/14/03/93/305140393.db2.gz PCATVFDZRLTJGA-OAHLLOKOSA-N 2 2 329.452 1.176 20 0 EDADLP C[N@H+](CC(=O)NCCCOC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435613073 305143252 /nfs/dbraw/zinc/14/32/52/305143252.db2.gz APNBOPAZSOSXIP-INIZCTEOSA-N 2 2 325.497 1.916 20 0 EDADLP C[N@@H+](CC(=O)NCCCOC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435613073 305143253 /nfs/dbraw/zinc/14/32/53/305143253.db2.gz APNBOPAZSOSXIP-INIZCTEOSA-N 2 2 325.497 1.916 20 0 EDADLP CC[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435621864 305143821 /nfs/dbraw/zinc/14/38/21/305143821.db2.gz AVGHRTFKZFIMCY-OAHLLOKOSA-N 2 2 340.489 1.933 20 0 EDADLP CC[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435621864 305143822 /nfs/dbraw/zinc/14/38/22/305143822.db2.gz AVGHRTFKZFIMCY-OAHLLOKOSA-N 2 2 340.489 1.933 20 0 EDADLP CC[C@@H](C)NC(=O)CN(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435693042 305145613 /nfs/dbraw/zinc/14/56/13/305145613.db2.gz IGEFOIIGSFTNLC-CVEARBPZSA-N 2 2 347.507 1.762 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)Cn1cc[nH+]c1 ZINC000438898565 305190974 /nfs/dbraw/zinc/19/09/74/305190974.db2.gz XUWAXGWPGMTEHD-BBRMVZONSA-N 2 2 325.416 1.687 20 0 EDADLP COC[C@H]1C[N@H+](C[C@H](C)C[NH+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439287925 305196080 /nfs/dbraw/zinc/19/60/80/305196080.db2.gz RUYHIMVYOAGEHA-AJNQNCSDSA-N 2 2 344.496 1.094 20 0 EDADLP COC[C@H]1C[N@@H+](C[C@H](C)C[NH+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439287925 305196081 /nfs/dbraw/zinc/19/60/81/305196081.db2.gz RUYHIMVYOAGEHA-AJNQNCSDSA-N 2 2 344.496 1.094 20 0 EDADLP COC[C@H]1C[NH+](C[C@H](C)C[N@@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439287925 305196082 /nfs/dbraw/zinc/19/60/82/305196082.db2.gz RUYHIMVYOAGEHA-AJNQNCSDSA-N 2 2 344.496 1.094 20 0 EDADLP COC[C@H]1C[NH+](C[C@H](C)C[N@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439287925 305196083 /nfs/dbraw/zinc/19/60/83/305196083.db2.gz RUYHIMVYOAGEHA-AJNQNCSDSA-N 2 2 344.496 1.094 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(=O)n2ccccc2n1 ZINC000441211347 305219088 /nfs/dbraw/zinc/21/90/88/305219088.db2.gz RYRSPUIVECQIJN-BRWVUGGUSA-N 2 2 342.443 1.378 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(=O)n2ccccc2n1 ZINC000441211347 305219089 /nfs/dbraw/zinc/21/90/89/305219089.db2.gz RYRSPUIVECQIJN-BRWVUGGUSA-N 2 2 342.443 1.378 20 0 EDADLP C[N@@H+]1CCCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000442897995 305230769 /nfs/dbraw/zinc/23/07/69/305230769.db2.gz GLGKPGWILJQGLN-UHFFFAOYSA-N 2 2 334.445 1.258 20 0 EDADLP C[N@H+]1CCCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000442897995 305230770 /nfs/dbraw/zinc/23/07/70/305230770.db2.gz GLGKPGWILJQGLN-UHFFFAOYSA-N 2 2 334.445 1.258 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000447868121 305287664 /nfs/dbraw/zinc/28/76/64/305287664.db2.gz HPOHENRSKIJCRV-SJLPKXTDSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000447868121 305287665 /nfs/dbraw/zinc/28/76/65/305287665.db2.gz HPOHENRSKIJCRV-SJLPKXTDSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448260364 305294752 /nfs/dbraw/zinc/29/47/52/305294752.db2.gz LIUXXQGVRQSTCA-HOTGVXAUSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448260364 305294753 /nfs/dbraw/zinc/29/47/53/305294753.db2.gz LIUXXQGVRQSTCA-HOTGVXAUSA-N 2 2 340.512 1.469 20 0 EDADLP COCC1CCC([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000449072739 305305730 /nfs/dbraw/zinc/30/57/30/305305730.db2.gz GKHOLDXYUXSBSK-UHFFFAOYSA-N 2 2 347.507 1.784 20 0 EDADLP [NH3+]CCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449114271 305306994 /nfs/dbraw/zinc/30/69/94/305306994.db2.gz ZAPUXDFVAUMBKA-UHFFFAOYSA-N 2 2 335.839 1.371 20 0 EDADLP [NH3+]CCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449114271 305306995 /nfs/dbraw/zinc/30/69/95/305306995.db2.gz ZAPUXDFVAUMBKA-UHFFFAOYSA-N 2 2 335.839 1.371 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000449143801 305307777 /nfs/dbraw/zinc/30/77/77/305307777.db2.gz RIEQFOVOHDJBRM-UONOGXRCSA-N 2 2 327.469 1.106 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000449319761 305311368 /nfs/dbraw/zinc/31/13/68/305311368.db2.gz HBIFFCQDWKEANS-IXYNUQLISA-N 2 2 332.448 1.167 20 0 EDADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@H](F)C1 ZINC000451189470 305333647 /nfs/dbraw/zinc/33/36/47/305333647.db2.gz FJZYAKDYXNGAOL-QAPCUYQASA-N 2 2 349.450 1.567 20 0 EDADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@H](F)C1 ZINC000451189470 305333648 /nfs/dbraw/zinc/33/36/48/305333648.db2.gz FJZYAKDYXNGAOL-QAPCUYQASA-N 2 2 349.450 1.567 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C1 ZINC000452352872 305391927 /nfs/dbraw/zinc/39/19/27/305391927.db2.gz IOMHBIVYNSSNKY-MRXNPFEDSA-N 2 2 328.416 1.960 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C1 ZINC000452352872 305391928 /nfs/dbraw/zinc/39/19/28/305391928.db2.gz IOMHBIVYNSSNKY-MRXNPFEDSA-N 2 2 328.416 1.960 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)C2 ZINC000452382142 305395607 /nfs/dbraw/zinc/39/56/07/305395607.db2.gz LEUMVAFRHHNQMV-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)C2 ZINC000452382142 305395608 /nfs/dbraw/zinc/39/56/08/305395608.db2.gz LEUMVAFRHHNQMV-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)CC2 ZINC000452382142 305395609 /nfs/dbraw/zinc/39/56/09/305395609.db2.gz LEUMVAFRHHNQMV-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)CC2 ZINC000452382142 305395610 /nfs/dbraw/zinc/39/56/10/305395610.db2.gz LEUMVAFRHHNQMV-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425892762 447351739 /nfs/dbraw/zinc/35/17/39/447351739.db2.gz ACAWTAMHXAIVEK-OALUTQOASA-N 3 2 348.491 1.609 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414906590 447352568 /nfs/dbraw/zinc/35/25/68/447352568.db2.gz ACZASJHWTXYPLL-DVOMOZLQSA-N 2 2 333.432 1.778 20 0 EDADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000515486403 305722951 /nfs/dbraw/zinc/72/29/51/305722951.db2.gz LEQPPNYSYJKSMP-HZPDHXFCSA-N 2 2 332.448 1.455 20 0 EDADLP Cc1cccc(OC[C@H](C)[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000515637459 305725719 /nfs/dbraw/zinc/72/57/19/305725719.db2.gz OGCOZHVNEPPYRD-XSLAGTTESA-N 2 2 336.476 1.822 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000516050526 305731677 /nfs/dbraw/zinc/73/16/77/305731677.db2.gz VNDOMPRHPDXCMO-DLBZAZTESA-N 2 2 328.497 1.643 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000522317746 305803777 /nfs/dbraw/zinc/80/37/77/305803777.db2.gz QRGDKBBWAPCFFZ-UHFFFAOYSA-N 2 2 328.420 1.655 20 0 EDADLP CCOCCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422129569 447363379 /nfs/dbraw/zinc/36/33/79/447363379.db2.gz GVDCFHIOICIJJA-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP CCOCCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422129569 447363384 /nfs/dbraw/zinc/36/33/84/447363384.db2.gz GVDCFHIOICIJJA-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](c2ccc(OC)nc2)C2CC2)CC1 ZINC000528845942 305891009 /nfs/dbraw/zinc/89/10/09/305891009.db2.gz GBMPUYJXEDIDDE-KSSFIOAISA-N 2 2 346.475 1.684 20 0 EDADLP COC[C@]1(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)OCCc2ccccc21 ZINC000419713958 447366463 /nfs/dbraw/zinc/36/64/63/447366463.db2.gz WZNKEGVXNWCAPN-IBGZPJMESA-N 2 2 344.459 1.690 20 0 EDADLP C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H]1n1cc[nH+]c1 ZINC000532091659 305973656 /nfs/dbraw/zinc/97/36/56/305973656.db2.gz AODSCOLPWNYVNK-DZGCQCFKSA-N 2 2 337.387 1.582 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)NCCc1cn2c([nH+]1)CCCC2 ZINC000540848492 306040685 /nfs/dbraw/zinc/04/06/85/306040685.db2.gz OUVZOIQIAQLXOE-UHFFFAOYSA-N 2 2 327.432 1.654 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCCCC1 ZINC000553049721 306182121 /nfs/dbraw/zinc/18/21/21/306182121.db2.gz IKPQRQMPXCIFNQ-UHFFFAOYSA-N 2 2 343.431 1.654 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000553175314 306183365 /nfs/dbraw/zinc/18/33/65/306183365.db2.gz ZSWPTKUTZXFPCJ-UONOGXRCSA-N 2 2 326.404 1.361 20 0 EDADLP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000554463434 306191911 /nfs/dbraw/zinc/19/19/11/306191911.db2.gz UHQNWGGEQTYIJL-OAHLLOKOSA-N 2 2 328.420 1.790 20 0 EDADLP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000554463434 306191912 /nfs/dbraw/zinc/19/19/12/306191912.db2.gz UHQNWGGEQTYIJL-OAHLLOKOSA-N 2 2 328.420 1.790 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000554469382 306192237 /nfs/dbraw/zinc/19/22/37/306192237.db2.gz GKKNKOWYETZFLD-UHFFFAOYSA-N 2 2 328.420 1.886 20 0 EDADLP CC[N@H+]1CCCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000554469382 306192238 /nfs/dbraw/zinc/19/22/38/306192238.db2.gz GKKNKOWYETZFLD-UHFFFAOYSA-N 2 2 328.420 1.886 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000555228105 306200350 /nfs/dbraw/zinc/20/03/50/306200350.db2.gz DQPCZEMXCCRRSW-UHFFFAOYSA-N 2 2 344.415 1.115 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000556781144 306217718 /nfs/dbraw/zinc/21/77/18/306217718.db2.gz DWOJUFVSQCDZLK-QGZVFWFLSA-N 2 2 345.491 1.954 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000556781144 306217719 /nfs/dbraw/zinc/21/77/19/306217719.db2.gz DWOJUFVSQCDZLK-QGZVFWFLSA-N 2 2 345.491 1.954 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000557193116 306226035 /nfs/dbraw/zinc/22/60/35/306226035.db2.gz CUZNKORSYGTQKO-HZPDHXFCSA-N 2 2 325.416 1.623 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000456392925 447385203 /nfs/dbraw/zinc/38/52/03/447385203.db2.gz XLFUTXDWCMROAM-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000456392925 447385204 /nfs/dbraw/zinc/38/52/04/447385204.db2.gz XLFUTXDWCMROAM-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCC1CCCC1 ZINC000657070932 453661446 /nfs/dbraw/zinc/66/14/46/453661446.db2.gz BNVNKDYYURBJKA-HNNXBMFYSA-N 2 2 333.542 1.758 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCC1CCCC1 ZINC000657070932 453661450 /nfs/dbraw/zinc/66/14/50/453661450.db2.gz BNVNKDYYURBJKA-HNNXBMFYSA-N 2 2 333.542 1.758 20 0 EDADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000378191845 447406263 /nfs/dbraw/zinc/40/62/63/447406263.db2.gz KMOMQLKMXLZQOF-DLBZAZTESA-N 2 2 341.459 2.447 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCOCC2CCCC2)CC1 ZINC000458577203 447418164 /nfs/dbraw/zinc/41/81/64/447418164.db2.gz CWHBPCUYHIYYRE-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000046381672 441104714 /nfs/dbraw/zinc/10/47/14/441104714.db2.gz YXEUKGVDFNRIAK-INIZCTEOSA-N 2 2 331.464 1.645 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000046381672 441104716 /nfs/dbraw/zinc/10/47/16/441104716.db2.gz YXEUKGVDFNRIAK-INIZCTEOSA-N 2 2 331.464 1.645 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057172224 441095268 /nfs/dbraw/zinc/09/52/68/441095268.db2.gz JFUPGRZUNLDMPH-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057172224 441095272 /nfs/dbraw/zinc/09/52/72/441095272.db2.gz JFUPGRZUNLDMPH-MJGOQNOKSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CCCn3cc[nH+]c32)C[C@@H](C)O1 ZINC000080617912 441185002 /nfs/dbraw/zinc/18/50/02/441185002.db2.gz WUUYXHFNAUXOTC-WCXIOVBPSA-N 2 2 346.475 1.861 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105079354 441231620 /nfs/dbraw/zinc/23/16/20/441231620.db2.gz KOJKIPZDFURKBP-CABCVRRESA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000105088912 441232700 /nfs/dbraw/zinc/23/27/00/441232700.db2.gz PLMFEYXVCZWTFC-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000105088912 441232706 /nfs/dbraw/zinc/23/27/06/441232706.db2.gz PLMFEYXVCZWTFC-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000081236349 441242343 /nfs/dbraw/zinc/24/23/43/441242343.db2.gz RUNQVZMHEYCBNN-UHFFFAOYSA-N 2 2 339.505 1.999 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105129237 441236483 /nfs/dbraw/zinc/23/64/83/441236483.db2.gz DQIFYCDEZOWUAN-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP Cc1cccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000105164791 441239488 /nfs/dbraw/zinc/23/94/88/441239488.db2.gz CMYVBYQTWIICCQ-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP Cc1cccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000105164791 441239491 /nfs/dbraw/zinc/23/94/91/441239491.db2.gz CMYVBYQTWIICCQ-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000105167520 441240043 /nfs/dbraw/zinc/24/00/43/441240043.db2.gz QJFWJOGMIMZVCD-MRXNPFEDSA-N 2 2 326.485 1.082 20 0 EDADLP Cc1ccc(C[NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC000016377631 441221534 /nfs/dbraw/zinc/22/15/34/441221534.db2.gz NSRUXPSYMDBCBY-QGZVFWFLSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1ccc(C[NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC000016377631 441221538 /nfs/dbraw/zinc/22/15/38/441221538.db2.gz NSRUXPSYMDBCBY-QGZVFWFLSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1ccc(C[N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)o1 ZINC000016377631 441221543 /nfs/dbraw/zinc/22/15/43/441221543.db2.gz NSRUXPSYMDBCBY-QGZVFWFLSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1ccc(C[N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)o1 ZINC000016377631 441221548 /nfs/dbraw/zinc/22/15/48/441221548.db2.gz NSRUXPSYMDBCBY-QGZVFWFLSA-N 2 2 337.464 1.493 20 0 EDADLP COCC[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000105788566 441269837 /nfs/dbraw/zinc/26/98/37/441269837.db2.gz CUBWRYRTOCKFPE-OAHLLOKOSA-N 2 2 349.479 1.208 20 0 EDADLP COCC[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000105788566 441269841 /nfs/dbraw/zinc/26/98/41/441269841.db2.gz CUBWRYRTOCKFPE-OAHLLOKOSA-N 2 2 349.479 1.208 20 0 EDADLP O=C(C[N@@H+]1CCC12CCC2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000081545224 441285929 /nfs/dbraw/zinc/28/59/29/441285929.db2.gz NKDJDPWCYGAOML-UHFFFAOYSA-N 2 2 335.492 1.766 20 0 EDADLP O=C(C[N@H+]1CCC12CCC2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000081545224 441285934 /nfs/dbraw/zinc/28/59/34/441285934.db2.gz NKDJDPWCYGAOML-UHFFFAOYSA-N 2 2 335.492 1.766 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000073047571 441288135 /nfs/dbraw/zinc/28/81/35/441288135.db2.gz BAEOBBVRVJORBZ-INIZCTEOSA-N 2 2 337.489 1.156 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000073047571 441288140 /nfs/dbraw/zinc/28/81/40/441288140.db2.gz BAEOBBVRVJORBZ-INIZCTEOSA-N 2 2 337.489 1.156 20 0 EDADLP C[C@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1)c1ccccc1 ZINC000073669232 441340933 /nfs/dbraw/zinc/34/09/33/441340933.db2.gz YNPPPUAEUGXLDW-INIZCTEOSA-N 2 2 342.443 1.899 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)[NH+](C)C ZINC000106902672 441387023 /nfs/dbraw/zinc/38/70/23/441387023.db2.gz PVVSTSYVFJSCOA-SFHVURJKSA-N 2 2 343.475 1.565 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000106521460 441349028 /nfs/dbraw/zinc/34/90/28/441349028.db2.gz IKHYGBSUJZEWJJ-INIZCTEOSA-N 2 2 347.507 1.183 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000073893973 441365985 /nfs/dbraw/zinc/36/59/85/441365985.db2.gz YEXWONWNTMIPNR-CYBMUJFWSA-N 2 2 325.403 1.949 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(F)cc2F)CC1 ZINC000073893973 441365986 /nfs/dbraw/zinc/36/59/86/441365986.db2.gz YEXWONWNTMIPNR-CYBMUJFWSA-N 2 2 325.403 1.949 20 0 EDADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000108365979 441449218 /nfs/dbraw/zinc/44/92/18/441449218.db2.gz WOHKJPALXFTMBX-UHFFFAOYSA-N 2 2 332.444 1.774 20 0 EDADLP c1coc(-c2nnc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)c1 ZINC000051957350 441429151 /nfs/dbraw/zinc/42/91/51/441429151.db2.gz RZFYDYMAPNNHCM-UHFFFAOYSA-N 2 2 332.404 1.874 20 0 EDADLP Cc1csc(=O)n1CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109753963 441504657 /nfs/dbraw/zinc/50/46/57/441504657.db2.gz KPSLKHZCFOQVDM-MRXNPFEDSA-N 2 2 338.521 1.320 20 0 EDADLP Cc1csc(=O)n1CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109753963 441504660 /nfs/dbraw/zinc/50/46/60/441504660.db2.gz KPSLKHZCFOQVDM-MRXNPFEDSA-N 2 2 338.521 1.320 20 0 EDADLP C[N@H+](CCc1cccs1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000075966069 441573281 /nfs/dbraw/zinc/57/32/81/441573281.db2.gz NWQYMWAEGCCIHT-UHFFFAOYSA-N 2 2 339.505 1.449 20 0 EDADLP C[N@@H+](CCc1cccs1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000075966069 441573285 /nfs/dbraw/zinc/57/32/85/441573285.db2.gz NWQYMWAEGCCIHT-UHFFFAOYSA-N 2 2 339.505 1.449 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000075988931 441575228 /nfs/dbraw/zinc/57/52/28/441575228.db2.gz DMAYTOQEXBQJOX-IAGOWNOFSA-N 2 2 333.501 1.987 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000075988931 441575232 /nfs/dbraw/zinc/57/52/32/441575232.db2.gz DMAYTOQEXBQJOX-IAGOWNOFSA-N 2 2 333.501 1.987 20 0 EDADLP CC(C)[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000067284521 441625083 /nfs/dbraw/zinc/62/50/83/441625083.db2.gz WDFDGZRPBBXLQP-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH+](C)C)C3)CC2)c1 ZINC000113513317 441612955 /nfs/dbraw/zinc/61/29/55/441612955.db2.gz HWSKTDURKZSAOS-SFHVURJKSA-N 2 2 344.503 1.527 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)CC2)c1 ZINC000113513317 441612960 /nfs/dbraw/zinc/61/29/60/441612960.db2.gz HWSKTDURKZSAOS-SFHVURJKSA-N 2 2 344.503 1.527 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000113515598 441613090 /nfs/dbraw/zinc/61/30/90/441613090.db2.gz BTZIJNCVBIRJKV-HNNXBMFYSA-N 2 2 335.448 1.204 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000113515598 441613095 /nfs/dbraw/zinc/61/30/95/441613095.db2.gz BTZIJNCVBIRJKV-HNNXBMFYSA-N 2 2 335.448 1.204 20 0 EDADLP COc1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)c(OC)c1OC ZINC000076898250 441692543 /nfs/dbraw/zinc/69/25/43/441692543.db2.gz BARKJDPIEDBFAO-AWEZNQCLSA-N 2 2 338.448 1.913 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091319029 441694792 /nfs/dbraw/zinc/69/47/92/441694792.db2.gz YKJPKUFACJLLAT-UKRRQHHQSA-N 2 2 341.477 1.095 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091319029 441694798 /nfs/dbraw/zinc/69/47/98/441694798.db2.gz YKJPKUFACJLLAT-UKRRQHHQSA-N 2 2 341.477 1.095 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000158276293 441715891 /nfs/dbraw/zinc/71/58/91/441715891.db2.gz CJCUORXXNVJZJM-LSDHHAIUSA-N 2 2 337.468 1.095 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173352284 441720099 /nfs/dbraw/zinc/72/00/99/441720099.db2.gz HTUDCXTYPXLOGO-UKRRQHHQSA-N 2 2 325.478 1.682 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173352284 441720108 /nfs/dbraw/zinc/72/01/08/441720108.db2.gz HTUDCXTYPXLOGO-UKRRQHHQSA-N 2 2 325.478 1.682 20 0 EDADLP CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(=O)OC ZINC000173529230 441779690 /nfs/dbraw/zinc/77/96/90/441779690.db2.gz HPQQHOADSIKWLT-IXYNUQLISA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(=O)OC ZINC000173529230 441779694 /nfs/dbraw/zinc/77/96/94/441779694.db2.gz HPQQHOADSIKWLT-IXYNUQLISA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@@H](C)[C@@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC ZINC000173529230 441779700 /nfs/dbraw/zinc/77/97/00/441779700.db2.gz HPQQHOADSIKWLT-IXYNUQLISA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@@H](C)[C@@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC ZINC000173529230 441779707 /nfs/dbraw/zinc/77/97/07/441779707.db2.gz HPQQHOADSIKWLT-IXYNUQLISA-N 2 2 327.469 1.105 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116419343 441820202 /nfs/dbraw/zinc/82/02/02/441820202.db2.gz CRXWTWSCLRNGJD-HUUCEWRRSA-N 2 2 328.501 1.373 20 0 EDADLP O=C(NCCC[NH+]1CCOCC1)NCC[NH+]1Cc2ccccc2C1 ZINC000068637697 441834140 /nfs/dbraw/zinc/83/41/40/441834140.db2.gz VZFCUWQENKLTNP-UHFFFAOYSA-N 2 2 332.448 1.024 20 0 EDADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1[nH]cc[nH+]1 ZINC000116760407 441840355 /nfs/dbraw/zinc/84/03/55/441840355.db2.gz SOGZJZHCRAIQAP-UHFFFAOYSA-N 2 2 327.432 1.628 20 0 EDADLP Cn1cccc1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000118953403 441911013 /nfs/dbraw/zinc/91/10/13/441911013.db2.gz HDTXTFLTPZIJKW-UHFFFAOYSA-N 2 2 327.432 1.249 20 0 EDADLP CC[C@H](COC)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119062407 441915506 /nfs/dbraw/zinc/91/55/06/441915506.db2.gz QVIFLICNALPZPA-HZPDHXFCSA-N 2 2 349.479 1.297 20 0 EDADLP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000174416977 441923045 /nfs/dbraw/zinc/92/30/45/441923045.db2.gz FFVLAJMVGQPBKL-QZTJIDSGSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000174416977 441923051 /nfs/dbraw/zinc/92/30/51/441923051.db2.gz FFVLAJMVGQPBKL-QZTJIDSGSA-N 2 2 346.519 1.649 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCN(C)c3ccccc3C2)CC1 ZINC000069090759 441889331 /nfs/dbraw/zinc/88/93/31/441889331.db2.gz UADCLXRNVFGKKZ-MRXNPFEDSA-N 2 2 330.476 1.491 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCN(C)c3ccccc3C2)CC1 ZINC000069090759 441889334 /nfs/dbraw/zinc/88/93/34/441889334.db2.gz UADCLXRNVFGKKZ-MRXNPFEDSA-N 2 2 330.476 1.491 20 0 EDADLP COc1ccsc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000093562713 441889859 /nfs/dbraw/zinc/88/98/59/441889859.db2.gz SQLPDTCKDHJCBX-UHFFFAOYSA-N 2 2 333.461 1.935 20 0 EDADLP c1cc(N2CCCC2)ncc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664425 441892541 /nfs/dbraw/zinc/89/25/41/441892541.db2.gz PBJQXXIAUKLJIZ-GOSISDBHSA-N 2 2 330.476 1.836 20 0 EDADLP c1cc(N2CCCC2)ncc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093664425 441892546 /nfs/dbraw/zinc/89/25/46/441892546.db2.gz PBJQXXIAUKLJIZ-GOSISDBHSA-N 2 2 330.476 1.836 20 0 EDADLP CN(C(=O)Cn1cccn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124701243 441945590 /nfs/dbraw/zinc/94/55/90/441945590.db2.gz GBXJOHNUDIFUPT-ROUUACIJSA-N 2 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1cccn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124701243 441945599 /nfs/dbraw/zinc/94/55/99/441945599.db2.gz GBXJOHNUDIFUPT-ROUUACIJSA-N 2 2 347.507 1.679 20 0 EDADLP O=S(=O)(NCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150846342 441962229 /nfs/dbraw/zinc/96/22/29/441962229.db2.gz SZYWXMLTKHZISC-MRXNPFEDSA-N 2 2 337.489 1.383 20 0 EDADLP O=S(=O)(NCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150846342 441962235 /nfs/dbraw/zinc/96/22/35/441962235.db2.gz SZYWXMLTKHZISC-MRXNPFEDSA-N 2 2 337.489 1.383 20 0 EDADLP COC[C@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C1CC1 ZINC000125372451 442015025 /nfs/dbraw/zinc/01/50/25/442015025.db2.gz NEGGJUMEQVQGPQ-ROUUACIJSA-N 2 2 342.443 1.342 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000125539727 442028502 /nfs/dbraw/zinc/02/85/02/442028502.db2.gz GTMRDPOGQKUXDY-KRWDZBQOSA-N 3 2 333.480 1.210 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000125539727 442028508 /nfs/dbraw/zinc/02/85/08/442028508.db2.gz GTMRDPOGQKUXDY-KRWDZBQOSA-N 3 2 333.480 1.210 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000151239740 442030026 /nfs/dbraw/zinc/03/00/26/442030026.db2.gz GDASWBISNXJKNJ-KRWDZBQOSA-N 2 2 345.491 1.246 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000151239740 442030035 /nfs/dbraw/zinc/03/00/35/442030035.db2.gz GDASWBISNXJKNJ-KRWDZBQOSA-N 2 2 345.491 1.246 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000162395749 442089886 /nfs/dbraw/zinc/08/98/86/442089886.db2.gz NANOZYIYCHQDQG-UHFFFAOYSA-N 2 2 344.419 1.635 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079733077 442082537 /nfs/dbraw/zinc/08/25/37/442082537.db2.gz OBDBENXYYXLCEP-RDJZCZTQSA-N 2 2 329.448 1.744 20 0 EDADLP COc1ccccc1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162783574 442122319 /nfs/dbraw/zinc/12/23/19/442122319.db2.gz GQLCTSPKGVCDAF-INIZCTEOSA-N 2 2 347.459 1.312 20 0 EDADLP COc1ccccc1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162783574 442122321 /nfs/dbraw/zinc/12/23/21/442122321.db2.gz GQLCTSPKGVCDAF-INIZCTEOSA-N 2 2 347.459 1.312 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1csc(Br)c1 ZINC000120816640 442137757 /nfs/dbraw/zinc/13/77/57/442137757.db2.gz VQNRJGBRMKDUJX-UHFFFAOYSA-N 2 2 346.294 1.716 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1csc(Br)c1 ZINC000120816640 442137761 /nfs/dbraw/zinc/13/77/61/442137761.db2.gz VQNRJGBRMKDUJX-UHFFFAOYSA-N 2 2 346.294 1.716 20 0 EDADLP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[NH+](CCO)CC1 ZINC000096626806 442147235 /nfs/dbraw/zinc/14/72/35/442147235.db2.gz DPILYEPNMFLYLE-QGZVFWFLSA-N 2 2 349.450 1.174 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH+](CCO)CC1 ZINC000096626806 442147240 /nfs/dbraw/zinc/14/72/40/442147240.db2.gz DPILYEPNMFLYLE-QGZVFWFLSA-N 2 2 349.450 1.174 20 0 EDADLP C[C@H](Cc1ccc(O)cc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175675111 442104097 /nfs/dbraw/zinc/10/40/97/442104097.db2.gz PIQMJVILXFNMHP-OAHLLOKOSA-N 2 2 348.491 1.648 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000163510092 442170424 /nfs/dbraw/zinc/17/04/24/442170424.db2.gz MSHSHMIGRHXZLN-ZBFHGGJFSA-N 2 2 347.459 1.475 20 0 EDADLP CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)c1 ZINC000121147034 442182123 /nfs/dbraw/zinc/18/21/23/442182123.db2.gz JOVABCKIOULSGD-GOSISDBHSA-N 2 2 330.476 1.664 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](CCO)C(C)(C)C)CC1 ZINC000164756675 442202332 /nfs/dbraw/zinc/20/23/32/442202332.db2.gz UFZFYKYKTWTJPS-HNNXBMFYSA-N 2 2 328.501 1.109 20 0 EDADLP C[C@@H](CC(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000164800748 442202851 /nfs/dbraw/zinc/20/28/51/442202851.db2.gz LFBKMNCOEZVRMT-GJZGRUSLSA-N 2 2 327.432 1.909 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000176825816 442261256 /nfs/dbraw/zinc/26/12/56/442261256.db2.gz WYNLGGQRQWJCAO-UHFFFAOYSA-N 2 2 341.415 1.204 20 0 EDADLP O=C([C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[NH+](C2CC2)CC1 ZINC000170802495 442266264 /nfs/dbraw/zinc/26/62/64/442266264.db2.gz CTQHWBXTQMTMKA-IBGZPJMESA-N 2 2 343.471 1.491 20 0 EDADLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000170886356 442283423 /nfs/dbraw/zinc/28/34/23/442283423.db2.gz HURDULFHVOUTKX-HUUCEWRRSA-N 2 2 328.416 1.711 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC000170985611 442296312 /nfs/dbraw/zinc/29/63/12/442296312.db2.gz SIZSMDQRRXJEIN-UHFFFAOYSA-N 2 2 347.459 1.120 20 0 EDADLP COc1cccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1OC ZINC000177112565 442298734 /nfs/dbraw/zinc/29/87/34/442298734.db2.gz OAJCGOFUYXZHPB-UHFFFAOYSA-N 2 2 335.448 1.460 20 0 EDADLP Cc1ccc(O[C@H](C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177125654 442300936 /nfs/dbraw/zinc/30/09/36/442300936.db2.gz FDMWOJDMIJDIGB-MRXNPFEDSA-N 2 2 333.476 1.905 20 0 EDADLP Cc1noc2nc(C)cc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)c12 ZINC000177135792 442302965 /nfs/dbraw/zinc/30/29/65/442302965.db2.gz WAEAXXNWAAWPJN-UHFFFAOYSA-N 2 2 345.447 1.595 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000177153192 442305934 /nfs/dbraw/zinc/30/59/34/442305934.db2.gz KWYKWPHNABCDOF-UHFFFAOYSA-N 2 2 341.459 1.628 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccco1 ZINC000171095503 442311020 /nfs/dbraw/zinc/31/10/20/442311020.db2.gz QHQFSPQYBZSZTC-AWEZNQCLSA-N 2 2 338.452 1.292 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccco1 ZINC000171095503 442311022 /nfs/dbraw/zinc/31/10/22/442311022.db2.gz QHQFSPQYBZSZTC-AWEZNQCLSA-N 2 2 338.452 1.292 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154035832 442318322 /nfs/dbraw/zinc/31/83/22/442318322.db2.gz SRTVKVIBUNTMOU-KURKYZTESA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171675702 442368927 /nfs/dbraw/zinc/36/89/27/442368927.db2.gz SWBWIWRUPDHRTK-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000171675702 442368929 /nfs/dbraw/zinc/36/89/29/442368929.db2.gz SWBWIWRUPDHRTK-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000171675702 442368931 /nfs/dbraw/zinc/36/89/31/442368931.db2.gz SWBWIWRUPDHRTK-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000171675702 442368934 /nfs/dbraw/zinc/36/89/34/442368934.db2.gz SWBWIWRUPDHRTK-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000171718373 442373610 /nfs/dbraw/zinc/37/36/10/442373610.db2.gz VZRPJNBPUDSSFI-GVDBMIGSSA-N 2 2 338.496 1.365 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(N)c4ccccc4n3)C2)CC1 ZINC000155662084 442417047 /nfs/dbraw/zinc/41/70/47/442417047.db2.gz NNEXBVCGZTWMNZ-HNNXBMFYSA-N 2 2 340.475 1.424 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(N)c4ccccc4n3)C2)CC1 ZINC000155662084 442417050 /nfs/dbraw/zinc/41/70/50/442417050.db2.gz NNEXBVCGZTWMNZ-HNNXBMFYSA-N 2 2 340.475 1.424 20 0 EDADLP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)[NH+]1CCSCC1 ZINC000133609761 442426156 /nfs/dbraw/zinc/42/61/56/442426156.db2.gz TYYSYTFFMMJDEE-CQSZACIVSA-N 2 2 325.478 1.607 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](OCCO)C3)c2cc1C ZINC000172291783 442435995 /nfs/dbraw/zinc/43/59/95/442435995.db2.gz ILHSEXJWWZNEPZ-SJORKVTESA-N 2 2 347.459 1.487 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](OCCO)C3)c2cc1C ZINC000172291783 442435998 /nfs/dbraw/zinc/43/59/98/442435998.db2.gz ILHSEXJWWZNEPZ-SJORKVTESA-N 2 2 347.459 1.487 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(O)cc(F)c3)CC2)CC1 ZINC000186216765 442489634 /nfs/dbraw/zinc/48/96/34/442489634.db2.gz ICKFFUSEZIUVMK-UHFFFAOYSA-N 2 2 349.450 1.907 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000178839669 442499657 /nfs/dbraw/zinc/49/96/57/442499657.db2.gz YGEQKUPBVQMCGN-CVEARBPZSA-N 2 2 341.496 1.942 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000178839669 442499663 /nfs/dbraw/zinc/49/96/63/442499663.db2.gz YGEQKUPBVQMCGN-CVEARBPZSA-N 2 2 341.496 1.942 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134284301 442464898 /nfs/dbraw/zinc/46/48/98/442464898.db2.gz UWIJJLOZPBIHEN-HNNXBMFYSA-N 3 2 343.479 1.159 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000178766084 442478543 /nfs/dbraw/zinc/47/85/43/442478543.db2.gz RLYBARPRDZZCKC-RDJZCZTQSA-N 2 2 331.460 1.900 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156452038 442482525 /nfs/dbraw/zinc/48/25/25/442482525.db2.gz OHAWRVKRSCQYJE-CJNGLKHVSA-N 2 2 341.415 1.504 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156452038 442482530 /nfs/dbraw/zinc/48/25/30/442482530.db2.gz OHAWRVKRSCQYJE-CJNGLKHVSA-N 2 2 341.415 1.504 20 0 EDADLP Cc1cc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000172752836 442533990 /nfs/dbraw/zinc/53/39/90/442533990.db2.gz ICIGEQVOPKKGPX-UHFFFAOYSA-N 2 2 334.464 1.592 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179108449 442574001 /nfs/dbraw/zinc/57/40/01/442574001.db2.gz BJRXQLVITBYPCV-CGTJXYLNSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179108449 442574006 /nfs/dbraw/zinc/57/40/06/442574006.db2.gz BJRXQLVITBYPCV-CGTJXYLNSA-N 2 2 346.475 1.452 20 0 EDADLP C[N@H+](CCC1CC1)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000135299328 442576922 /nfs/dbraw/zinc/57/69/22/442576922.db2.gz HLWBJBMKMSKPQF-UHFFFAOYSA-N 2 2 345.487 1.867 20 0 EDADLP C[N@@H+](CCC1CC1)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000135299328 442576924 /nfs/dbraw/zinc/57/69/24/442576924.db2.gz HLWBJBMKMSKPQF-UHFFFAOYSA-N 2 2 345.487 1.867 20 0 EDADLP CC[N@H+](CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C1CC1 ZINC000135964475 442643313 /nfs/dbraw/zinc/64/33/13/442643313.db2.gz HKYGUUKSZFGUJJ-CQSZACIVSA-N 2 2 332.448 1.407 20 0 EDADLP CC[N@@H+](CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)C1CC1 ZINC000135964475 442643319 /nfs/dbraw/zinc/64/33/19/442643319.db2.gz HKYGUUKSZFGUJJ-CQSZACIVSA-N 2 2 332.448 1.407 20 0 EDADLP Cn1cccc1[C@H]1CCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179301691 442616673 /nfs/dbraw/zinc/61/66/73/442616673.db2.gz LOQSOAAVCADBFF-GOSISDBHSA-N 2 2 347.507 1.898 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000173189186 442621124 /nfs/dbraw/zinc/62/11/24/442621124.db2.gz JFFKTKCEJNCZKJ-LSDHHAIUSA-N 2 2 337.468 1.380 20 0 EDADLP c1nc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)co1 ZINC000192312465 442631481 /nfs/dbraw/zinc/63/14/81/442631481.db2.gz OBWQSZHQNUMVBC-AWEZNQCLSA-N 2 2 344.419 1.060 20 0 EDADLP C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181023823 442675311 /nfs/dbraw/zinc/67/53/11/442675311.db2.gz FCVKMMSPJJNJRD-LSDHHAIUSA-N 2 2 343.537 1.429 20 0 EDADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C2 ZINC000192747024 442682831 /nfs/dbraw/zinc/68/28/31/442682831.db2.gz PJIQFUNOBJRPEN-AYHJJNSGSA-N 3 2 329.492 1.548 20 0 EDADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C2 ZINC000192747024 442682832 /nfs/dbraw/zinc/68/28/32/442682832.db2.gz PJIQFUNOBJRPEN-AYHJJNSGSA-N 3 2 329.492 1.548 20 0 EDADLP Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000182323078 442757461 /nfs/dbraw/zinc/75/74/61/442757461.db2.gz WQCNRJACAAXMLN-INIZCTEOSA-N 2 2 333.476 1.873 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)cc(OC)c1 ZINC000193322257 442732902 /nfs/dbraw/zinc/73/29/02/442732902.db2.gz JEELZDVGTHGXCL-CQSZACIVSA-N 2 2 335.448 1.475 20 0 EDADLP O[C@H](C[NH2+]C1CCC2(CC1)OCCO2)C[N@@H+]1CCc2ccccc2C1 ZINC000193556005 442753415 /nfs/dbraw/zinc/75/34/15/442753415.db2.gz OWOMQGNOXLCZOO-LJQANCHMSA-N 2 2 346.471 1.681 20 0 EDADLP O[C@H](C[NH2+]C1CCC2(CC1)OCCO2)C[N@H+]1CCc2ccccc2C1 ZINC000193556005 442753418 /nfs/dbraw/zinc/75/34/18/442753418.db2.gz OWOMQGNOXLCZOO-LJQANCHMSA-N 2 2 346.471 1.681 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@@H](C)O1 ZINC000246559749 442792847 /nfs/dbraw/zinc/79/28/47/442792847.db2.gz KUYFDCVHHACWFV-XLMAVXFVSA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@@H](C)O1 ZINC000246559749 442792851 /nfs/dbraw/zinc/79/28/51/442792851.db2.gz KUYFDCVHHACWFV-XLMAVXFVSA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@@H](C)O1 ZINC000246559749 442792854 /nfs/dbraw/zinc/79/28/54/442792854.db2.gz KUYFDCVHHACWFV-XLMAVXFVSA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@@H](C)O1 ZINC000246559749 442792857 /nfs/dbraw/zinc/79/28/57/442792857.db2.gz KUYFDCVHHACWFV-XLMAVXFVSA-N 2 2 335.492 1.571 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193608529 442758910 /nfs/dbraw/zinc/75/89/10/442758910.db2.gz RBDHDIYVFWQAGH-HDICACEKSA-N 2 2 345.487 1.634 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193608529 442758912 /nfs/dbraw/zinc/75/89/12/442758912.db2.gz RBDHDIYVFWQAGH-HDICACEKSA-N 2 2 345.487 1.634 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193608529 442758913 /nfs/dbraw/zinc/75/89/13/442758913.db2.gz RBDHDIYVFWQAGH-HDICACEKSA-N 2 2 345.487 1.634 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193608529 442758914 /nfs/dbraw/zinc/75/89/14/442758914.db2.gz RBDHDIYVFWQAGH-HDICACEKSA-N 2 2 345.487 1.634 20 0 EDADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccnn3CC)C2=O)CC1 ZINC000188569207 442764603 /nfs/dbraw/zinc/76/46/03/442764603.db2.gz NIFXPLCOYIRLGC-MRXNPFEDSA-N 2 2 333.480 1.862 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[NH+]4CCC3CC4)CC2)cs1 ZINC000188616713 442770970 /nfs/dbraw/zinc/77/09/70/442770970.db2.gz OBFCCSWVKPHMDB-UHFFFAOYSA-N 2 2 348.516 1.970 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000265435901 442771604 /nfs/dbraw/zinc/77/16/04/442771604.db2.gz GTKLRXCZQKIBBV-INIZCTEOSA-N 2 2 333.480 1.049 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000265435901 442771608 /nfs/dbraw/zinc/77/16/08/442771608.db2.gz GTKLRXCZQKIBBV-INIZCTEOSA-N 2 2 333.480 1.049 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246334041 442773618 /nfs/dbraw/zinc/77/36/18/442773618.db2.gz HFYWCUQBRWKKQK-MSOLQXFVSA-N 2 2 344.503 1.607 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246334041 442773621 /nfs/dbraw/zinc/77/36/21/442773621.db2.gz HFYWCUQBRWKKQK-MSOLQXFVSA-N 2 2 344.503 1.607 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCOC[C@@]34CCOC4)c2cc1C ZINC000193736657 442775958 /nfs/dbraw/zinc/77/59/58/442775958.db2.gz QRWBMPXMFFQZES-APWZRJJASA-N 2 2 345.443 1.505 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCOC[C@@]34CCOC4)c2cc1C ZINC000193736657 442775962 /nfs/dbraw/zinc/77/59/62/442775962.db2.gz QRWBMPXMFFQZES-APWZRJJASA-N 2 2 345.443 1.505 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000182541925 442783494 /nfs/dbraw/zinc/78/34/94/442783494.db2.gz YYPRZPHAWDKTCR-QAPCUYQASA-N 2 2 349.475 1.592 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247049161 442830999 /nfs/dbraw/zinc/83/09/99/442830999.db2.gz NCWGPSFZPIBMFI-ROUUACIJSA-N 3 2 346.523 1.309 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247049161 442831003 /nfs/dbraw/zinc/83/10/03/442831003.db2.gz NCWGPSFZPIBMFI-ROUUACIJSA-N 3 2 346.523 1.309 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)c2[nH]nc3c2C[NH2+]CC3)c1C ZINC000188873636 442832681 /nfs/dbraw/zinc/83/26/81/442832681.db2.gz JTYPNMMCRGBLAS-UHFFFAOYSA-N 2 2 329.404 1.348 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188796252 442815393 /nfs/dbraw/zinc/81/53/93/442815393.db2.gz HWOTXMZVWIHMTB-ZWKOTPCHSA-N 2 2 348.466 1.140 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246948857 442823229 /nfs/dbraw/zinc/82/32/29/442823229.db2.gz NQONTIZGXVVGSW-QFXBJFAPSA-N 2 2 337.508 1.862 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246948857 442823232 /nfs/dbraw/zinc/82/32/32/442823232.db2.gz NQONTIZGXVVGSW-QFXBJFAPSA-N 2 2 337.508 1.862 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246948857 442823234 /nfs/dbraw/zinc/82/32/34/442823234.db2.gz NQONTIZGXVVGSW-QFXBJFAPSA-N 2 2 337.508 1.862 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246948857 442823237 /nfs/dbraw/zinc/82/32/37/442823237.db2.gz NQONTIZGXVVGSW-QFXBJFAPSA-N 2 2 337.508 1.862 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000247251334 442844349 /nfs/dbraw/zinc/84/43/49/442844349.db2.gz UNNLPMXCSXVPAY-LJQANCHMSA-N 2 2 346.519 1.774 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247251334 442844354 /nfs/dbraw/zinc/84/43/54/442844354.db2.gz UNNLPMXCSXVPAY-LJQANCHMSA-N 2 2 346.519 1.774 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000247251334 442844355 /nfs/dbraw/zinc/84/43/55/442844355.db2.gz UNNLPMXCSXVPAY-LJQANCHMSA-N 2 2 346.519 1.774 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000247251334 442844361 /nfs/dbraw/zinc/84/43/61/442844361.db2.gz UNNLPMXCSXVPAY-LJQANCHMSA-N 2 2 346.519 1.774 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000247485047 442856154 /nfs/dbraw/zinc/85/61/54/442856154.db2.gz KMMGFRJXCKVVHH-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000247485047 442856157 /nfs/dbraw/zinc/85/61/57/442856157.db2.gz KMMGFRJXCKVVHH-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COC[C@H]3CCCO3)CC2)c1 ZINC000164051399 318428651 /nfs/dbraw/zinc/42/86/51/318428651.db2.gz KLXLIUDQDZKKTK-IAGOWNOFSA-N 2 2 335.448 1.069 20 0 EDADLP Cc1cn2cc(NC(=O)N[C@@H](C)CN3CC[NH+](C)CC3)ccc2[nH+]1 ZINC000265695506 442883537 /nfs/dbraw/zinc/88/35/37/442883537.db2.gz GQEXECCJOMRYDU-ZDUSSCGKSA-N 2 2 330.436 1.400 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000265697250 442883819 /nfs/dbraw/zinc/88/38/19/442883819.db2.gz HCHQTSAHYKCIMP-UHFFFAOYSA-N 2 2 331.420 1.829 20 0 EDADLP CC1(C)C[C@@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C(C)(C)O1 ZINC000189227305 442901063 /nfs/dbraw/zinc/90/10/63/442901063.db2.gz LFKGQKCELOBLMP-MRXNPFEDSA-N 2 2 349.475 1.860 20 0 EDADLP C[NH+](C)C/C=C/C(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000265713547 442890875 /nfs/dbraw/zinc/89/08/75/442890875.db2.gz WKKLZBKUBCRJRT-VOTSOKGWSA-N 2 2 333.480 1.400 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000194534282 442910944 /nfs/dbraw/zinc/91/09/44/442910944.db2.gz GEQZZRWZZYGZEG-NUJGCVRESA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[N@H+](C2CC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000194534282 442910947 /nfs/dbraw/zinc/91/09/47/442910947.db2.gz GEQZZRWZZYGZEG-NUJGCVRESA-N 2 2 337.508 1.817 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCCO1 ZINC000182282829 318502876 /nfs/dbraw/zinc/50/28/76/318502876.db2.gz QSVIYWCGHDZZJM-SJORKVTESA-N 2 2 335.448 1.471 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194603854 442921492 /nfs/dbraw/zinc/92/14/92/442921492.db2.gz DBFPYIZOGFBSQT-UHFFFAOYSA-N 3 2 336.524 1.345 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194603854 442921494 /nfs/dbraw/zinc/92/14/94/442921494.db2.gz DBFPYIZOGFBSQT-UHFFFAOYSA-N 3 2 336.524 1.345 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)C[C@H]1n1cc[nH+]c1 ZINC000268287114 442932451 /nfs/dbraw/zinc/93/24/51/442932451.db2.gz ASFSBGBVMMUDOZ-DZGCQCFKSA-N 2 2 345.451 1.475 20 0 EDADLP C[C@H]1COCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248879153 442933847 /nfs/dbraw/zinc/93/38/47/442933847.db2.gz RRGFRYPCPVAYSC-HVVXOQGOSA-N 2 2 335.492 1.428 20 0 EDADLP C[C@H]1COCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248879153 442933851 /nfs/dbraw/zinc/93/38/51/442933851.db2.gz RRGFRYPCPVAYSC-HVVXOQGOSA-N 2 2 335.492 1.428 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249176092 442958712 /nfs/dbraw/zinc/95/87/12/442958712.db2.gz MDYZBKRJWYHIQL-GVDBMIGSSA-N 2 2 338.496 1.221 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249176092 442958717 /nfs/dbraw/zinc/95/87/17/442958717.db2.gz MDYZBKRJWYHIQL-GVDBMIGSSA-N 2 2 338.496 1.221 20 0 EDADLP CC[C@]1(CO)CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000189614361 442984761 /nfs/dbraw/zinc/98/47/61/442984761.db2.gz RFKVIRWBHQPSJH-LJQANCHMSA-N 2 2 346.475 1.357 20 0 EDADLP CC[C@]1(CO)CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000189614361 442984767 /nfs/dbraw/zinc/98/47/67/442984767.db2.gz RFKVIRWBHQPSJH-LJQANCHMSA-N 2 2 346.475 1.357 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000265981673 442993194 /nfs/dbraw/zinc/99/31/94/442993194.db2.gz BMIHMDPJAMKVAX-OALUTQOASA-N 2 2 348.487 1.697 20 0 EDADLP CNC(=O)c1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000266096641 443015801 /nfs/dbraw/zinc/01/58/01/443015801.db2.gz JVQBHHFVMBSHDY-UHFFFAOYSA-N 2 2 346.475 1.144 20 0 EDADLP CNC(=O)c1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000266096641 443015804 /nfs/dbraw/zinc/01/58/04/443015804.db2.gz JVQBHHFVMBSHDY-UHFFFAOYSA-N 2 2 346.475 1.144 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cn4c(n3)CCCC4)cn2)CC1 ZINC000268598298 443047250 /nfs/dbraw/zinc/04/72/50/443047250.db2.gz WFUWIMPRMFFZDW-UHFFFAOYSA-N 2 2 341.463 1.051 20 0 EDADLP C[NH+]1CCN(c2ncc(CNCc3cn4c([nH+]3)CCCC4)cn2)CC1 ZINC000268598298 443047254 /nfs/dbraw/zinc/04/72/54/443047254.db2.gz WFUWIMPRMFFZDW-UHFFFAOYSA-N 2 2 341.463 1.051 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088020 450398557 /nfs/dbraw/zinc/39/85/57/450398557.db2.gz SNXYHSBZYSLGAA-UYAOXDASSA-N 3 2 332.536 1.980 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088020 450398560 /nfs/dbraw/zinc/39/85/60/450398560.db2.gz SNXYHSBZYSLGAA-UYAOXDASSA-N 3 2 332.536 1.980 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000268748032 443095990 /nfs/dbraw/zinc/09/59/90/443095990.db2.gz GPTHHZIACXRJPC-RTBURBONSA-N 2 2 328.460 1.880 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000268748032 443095995 /nfs/dbraw/zinc/09/59/95/443095995.db2.gz GPTHHZIACXRJPC-RTBURBONSA-N 2 2 328.460 1.880 20 0 EDADLP CN(C)C(=O)c1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)[nH]1 ZINC000623088729 450398654 /nfs/dbraw/zinc/39/86/54/450398654.db2.gz ASWWQTCUEBYXGU-UHFFFAOYSA-N 2 2 328.407 1.783 20 0 EDADLP CN(C(=O)NC[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268619711 443054199 /nfs/dbraw/zinc/05/41/99/443054199.db2.gz YBVBLHIBCPQXRD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NC[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268619711 443054202 /nfs/dbraw/zinc/05/42/02/443054202.db2.gz YBVBLHIBCPQXRD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268619711 443054205 /nfs/dbraw/zinc/05/42/05/443054205.db2.gz YBVBLHIBCPQXRD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268619711 443054208 /nfs/dbraw/zinc/05/42/08/443054208.db2.gz YBVBLHIBCPQXRD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CC(C)[C@H](NC(=O)C[NH+]1CCC([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000236685509 443144438 /nfs/dbraw/zinc/14/44/38/443144438.db2.gz POKGPFGJWABZGJ-IBGZPJMESA-N 2 2 347.459 1.694 20 0 EDADLP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3C[N@H+](CC(C)C)CCO3)cc12 ZINC000236797474 443147857 /nfs/dbraw/zinc/14/78/57/443147857.db2.gz BTONQJKWELYLNQ-INIZCTEOSA-N 2 2 331.464 1.723 20 0 EDADLP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3C[N@@H+](CC(C)C)CCO3)cc12 ZINC000236797474 443147859 /nfs/dbraw/zinc/14/78/59/443147859.db2.gz BTONQJKWELYLNQ-INIZCTEOSA-N 2 2 331.464 1.723 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000261767554 443169030 /nfs/dbraw/zinc/16/90/30/443169030.db2.gz RUVFHYXGXSHPQW-QGZVFWFLSA-N 2 2 337.420 1.322 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000261767554 443169031 /nfs/dbraw/zinc/16/90/31/443169031.db2.gz RUVFHYXGXSHPQW-QGZVFWFLSA-N 2 2 337.420 1.322 20 0 EDADLP O=C(CC1CC[NH2+]CC1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000238140011 443195115 /nfs/dbraw/zinc/19/51/15/443195115.db2.gz MJWXLRZCXZZMCE-HNNXBMFYSA-N 2 2 337.489 1.627 20 0 EDADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)OCCO2 ZINC000268970706 443162793 /nfs/dbraw/zinc/16/27/93/443162793.db2.gz ZIHOSYQYYGVUCH-HZPDHXFCSA-N 2 2 347.459 1.838 20 0 EDADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)OCCO2 ZINC000268970706 443162797 /nfs/dbraw/zinc/16/27/97/443162797.db2.gz ZIHOSYQYYGVUCH-HZPDHXFCSA-N 2 2 347.459 1.838 20 0 EDADLP C/C=C/C[C@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000185672631 443235985 /nfs/dbraw/zinc/23/59/85/443235985.db2.gz ASKSHHCDNVPRRD-QDLOVBKTSA-N 2 2 338.496 1.171 20 0 EDADLP C[N@H+](CCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C)Cc1ccccc1 ZINC000350042212 319040061 /nfs/dbraw/zinc/04/00/61/319040061.db2.gz QXRVLMCDQXMSFW-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+](CCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C)Cc1ccccc1 ZINC000350042212 319040064 /nfs/dbraw/zinc/04/00/64/319040064.db2.gz QXRVLMCDQXMSFW-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](CCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)Cc1ccccc1 ZINC000350042212 319040070 /nfs/dbraw/zinc/04/00/70/319040070.db2.gz QXRVLMCDQXMSFW-MSOLQXFVSA-N 2 2 346.475 1.233 20 0 EDADLP Cc1cn2cc(NC(=O)c3nnn(C4CC[NH2+]CC4)c3C)ccc2[nH+]1 ZINC000269256506 443254448 /nfs/dbraw/zinc/25/44/48/443254448.db2.gz SRBJKIWCARKVAG-UHFFFAOYSA-N 2 2 339.403 1.719 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413404518 319267472 /nfs/dbraw/zinc/26/74/72/319267472.db2.gz QHZQKJSCHBZCDL-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413404518 319267474 /nfs/dbraw/zinc/26/74/74/319267474.db2.gz QHZQKJSCHBZCDL-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP COC(=O)[C@H]1CN(c2cc[nH+]cc2Br)CC[N@H+](C)C1 ZINC000413497654 319271741 /nfs/dbraw/zinc/27/17/41/319271741.db2.gz LPJINQSRMDCOTE-SNVBAGLBSA-N 2 2 328.210 1.385 20 0 EDADLP COC(=O)[C@H]1CN(c2cc[nH+]cc2Br)CC[N@@H+](C)C1 ZINC000413497654 319271743 /nfs/dbraw/zinc/27/17/43/319271743.db2.gz LPJINQSRMDCOTE-SNVBAGLBSA-N 2 2 328.210 1.385 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000415083295 319345851 /nfs/dbraw/zinc/34/58/51/319345851.db2.gz PQOBVRZHJWIUHU-DLBZAZTESA-N 3 2 333.476 1.485 20 0 EDADLP C[N@H+](CCO)C1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000264304688 443258864 /nfs/dbraw/zinc/25/88/64/443258864.db2.gz XDFNCDYGUXUWLZ-UHFFFAOYSA-N 2 2 328.460 1.820 20 0 EDADLP C[N@@H+](CCO)C1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000264304688 443258871 /nfs/dbraw/zinc/25/88/71/443258871.db2.gz XDFNCDYGUXUWLZ-UHFFFAOYSA-N 2 2 328.460 1.820 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C(F)(F)F ZINC000415989376 319387909 /nfs/dbraw/zinc/38/79/09/319387909.db2.gz AFIOUPUAKQMBEK-CYBMUJFWSA-N 2 2 345.369 1.189 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269454128 443313459 /nfs/dbraw/zinc/31/34/59/443313459.db2.gz VBJYZWVJAKTFQP-GOSISDBHSA-N 2 2 342.443 1.839 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269454128 443313460 /nfs/dbraw/zinc/31/34/60/443313460.db2.gz VBJYZWVJAKTFQP-GOSISDBHSA-N 2 2 342.443 1.839 20 0 EDADLP COc1ccc([C@@H](NC(=O)N[C@@H](C[NH3+])C2CC2)c2[nH+]ccn2C)cc1 ZINC000416909556 319471732 /nfs/dbraw/zinc/47/17/32/319471732.db2.gz QNWLTUBVDNFYMT-JKSUJKDBSA-N 2 2 343.431 1.555 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC3(C)CC[NH+](C)CC3)ccc2[nH+]1 ZINC000272439381 443316398 /nfs/dbraw/zinc/31/63/98/443316398.db2.gz AMLGFNQLKSGXLF-UHFFFAOYSA-N 2 2 343.431 1.429 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000416944701 319481617 /nfs/dbraw/zinc/48/16/17/319481617.db2.gz DKWNPRJUACDOSI-WBVHZDCISA-N 2 2 341.459 1.914 20 0 EDADLP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccco1 ZINC000264562639 443327188 /nfs/dbraw/zinc/32/71/88/443327188.db2.gz QESCKGXKHMBDIF-KBPBESRZSA-N 2 2 331.420 1.746 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)nn1 ZINC000282443090 443340887 /nfs/dbraw/zinc/34/08/87/443340887.db2.gz IGWUYEGFGWAGHM-INIZCTEOSA-N 2 2 327.432 1.834 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)nn1 ZINC000282443090 443340892 /nfs/dbraw/zinc/34/08/92/443340892.db2.gz IGWUYEGFGWAGHM-INIZCTEOSA-N 2 2 327.432 1.834 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nn1 ZINC000282443090 443340897 /nfs/dbraw/zinc/34/08/97/443340897.db2.gz IGWUYEGFGWAGHM-INIZCTEOSA-N 2 2 327.432 1.834 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nn1 ZINC000282443090 443340902 /nfs/dbraw/zinc/34/09/02/443340902.db2.gz IGWUYEGFGWAGHM-INIZCTEOSA-N 2 2 327.432 1.834 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000278541021 443358605 /nfs/dbraw/zinc/35/86/05/443358605.db2.gz GIDUFPKTRIJQHI-UHFFFAOYSA-N 2 2 348.447 1.858 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000278655090 443392574 /nfs/dbraw/zinc/39/25/74/443392574.db2.gz MHCYENYRLKBQFF-GOSISDBHSA-N 2 2 343.471 1.966 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000278655090 443392576 /nfs/dbraw/zinc/39/25/76/443392576.db2.gz MHCYENYRLKBQFF-GOSISDBHSA-N 2 2 343.471 1.966 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000270929654 443484204 /nfs/dbraw/zinc/48/42/04/443484204.db2.gz DXRZUIGIHLLQFH-SJLPKXTDSA-N 2 2 331.460 1.470 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000270929654 443484207 /nfs/dbraw/zinc/48/42/07/443484207.db2.gz DXRZUIGIHLLQFH-SJLPKXTDSA-N 2 2 331.460 1.470 20 0 EDADLP Cn1nncc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000267529934 443487491 /nfs/dbraw/zinc/48/74/91/443487491.db2.gz RPCNWMRHXXAWTO-UHFFFAOYSA-N 2 2 334.855 1.510 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000267417074 443449532 /nfs/dbraw/zinc/44/95/32/443449532.db2.gz VZHAOEXFYIKWOK-MJGOQNOKSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000267417074 443449535 /nfs/dbraw/zinc/44/95/35/443449535.db2.gz VZHAOEXFYIKWOK-MJGOQNOKSA-N 2 2 345.487 1.688 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000278843142 443458586 /nfs/dbraw/zinc/45/85/86/443458586.db2.gz KRIWCJREJLNFNJ-OAHLLOKOSA-N 2 2 341.459 1.588 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000422737204 319735672 /nfs/dbraw/zinc/73/56/72/319735672.db2.gz ZDGDSQYVRIOPFW-KZNAEPCWSA-N 2 2 333.476 1.953 20 0 EDADLP C[NH2+]CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423198001 319756034 /nfs/dbraw/zinc/75/60/34/319756034.db2.gz CMOYNNJBWOIZMQ-GFCCVEGCSA-N 2 2 347.278 1.867 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])c2cscn2)[NH+]2CCCC2)o1 ZINC000423403862 319771802 /nfs/dbraw/zinc/77/18/02/319771802.db2.gz SGNWUDQONLMTHQ-HIFRSBDPSA-N 2 2 334.445 1.998 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000272273542 443576069 /nfs/dbraw/zinc/57/60/69/443576069.db2.gz AKCWPYNMWRAAHF-GOEBONIOSA-N 2 2 327.432 1.960 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000272273542 443576072 /nfs/dbraw/zinc/57/60/72/443576072.db2.gz AKCWPYNMWRAAHF-GOEBONIOSA-N 2 2 327.432 1.960 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000283163827 443546594 /nfs/dbraw/zinc/54/65/94/443546594.db2.gz PDFINKZHUDFAGF-GOSISDBHSA-N 2 2 331.460 1.094 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000283163827 443546600 /nfs/dbraw/zinc/54/66/00/443546600.db2.gz PDFINKZHUDFAGF-GOSISDBHSA-N 2 2 331.460 1.094 20 0 EDADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1O ZINC000279889911 443634882 /nfs/dbraw/zinc/63/48/82/443634882.db2.gz USNXJHBSVWBLIU-HNNXBMFYSA-N 2 2 337.489 1.095 20 0 EDADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1O ZINC000279889911 443634884 /nfs/dbraw/zinc/63/48/84/443634884.db2.gz USNXJHBSVWBLIU-HNNXBMFYSA-N 2 2 337.489 1.095 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444201120 320120087 /nfs/dbraw/zinc/12/00/87/320120087.db2.gz SVPZXXOANSZMCV-LMMKCTJWSA-N 2 2 329.444 1.003 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444201120 320120090 /nfs/dbraw/zinc/12/00/90/320120090.db2.gz SVPZXXOANSZMCV-LMMKCTJWSA-N 2 2 329.444 1.003 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC000449386478 320186725 /nfs/dbraw/zinc/18/67/25/320186725.db2.gz IOSGBORIPRBESQ-LUKYLMHMSA-N 2 2 326.481 1.791 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC000449386478 320186728 /nfs/dbraw/zinc/18/67/28/320186728.db2.gz IOSGBORIPRBESQ-LUKYLMHMSA-N 2 2 326.481 1.791 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000449397724 320188091 /nfs/dbraw/zinc/18/80/91/320188091.db2.gz VVWWTDZXTXJRFM-SFHVURJKSA-N 2 2 332.423 1.948 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000449397724 320188094 /nfs/dbraw/zinc/18/80/94/320188094.db2.gz VVWWTDZXTXJRFM-SFHVURJKSA-N 2 2 332.423 1.948 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449395045 320188148 /nfs/dbraw/zinc/18/81/48/320188148.db2.gz PEEZNJFKLDTLJU-GOSISDBHSA-N 3 2 329.448 1.512 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449395045 320188150 /nfs/dbraw/zinc/18/81/50/320188150.db2.gz PEEZNJFKLDTLJU-GOSISDBHSA-N 3 2 329.448 1.512 20 0 EDADLP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000458787287 320341280 /nfs/dbraw/zinc/34/12/80/320341280.db2.gz BXMQBJJPSRNGHJ-OAHLLOKOSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000458787287 320341281 /nfs/dbraw/zinc/34/12/81/320341281.db2.gz BXMQBJJPSRNGHJ-OAHLLOKOSA-N 2 2 326.485 1.269 20 0 EDADLP CNC(=O)NC(=O)CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280257709 443684989 /nfs/dbraw/zinc/68/49/89/443684989.db2.gz PDJZIAJNWVPAMN-UHFFFAOYSA-N 2 2 343.431 1.827 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)C(C)(C)[NH+]2CCOCC2)cc1 ZINC000283757405 443709188 /nfs/dbraw/zinc/70/91/88/443709188.db2.gz JPGPTIJRWUZPIX-UHFFFAOYSA-N 2 2 333.476 1.518 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](OC)C3)CC2)CC1 ZINC000616381244 450406868 /nfs/dbraw/zinc/40/68/68/450406868.db2.gz MAJKWPXUWKJYAL-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](OC)C3)CC2)CC1 ZINC000616381244 450406872 /nfs/dbraw/zinc/40/68/72/450406872.db2.gz MAJKWPXUWKJYAL-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298523802 443791600 /nfs/dbraw/zinc/79/16/00/443791600.db2.gz CAQMTJKVNIQMRK-LBPRGKRZSA-N 2 2 339.403 1.771 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298523802 443791603 /nfs/dbraw/zinc/79/16/03/443791603.db2.gz CAQMTJKVNIQMRK-LBPRGKRZSA-N 2 2 339.403 1.771 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298666618 443833771 /nfs/dbraw/zinc/83/37/71/443833771.db2.gz YTMWJDQSAGJRTQ-HOTGVXAUSA-N 2 2 340.431 1.693 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298666618 443833775 /nfs/dbraw/zinc/83/37/75/443833775.db2.gz YTMWJDQSAGJRTQ-HOTGVXAUSA-N 2 2 340.431 1.693 20 0 EDADLP CC[NH+](CC)CCC[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000276834414 443845667 /nfs/dbraw/zinc/84/56/67/443845667.db2.gz BKKKIYPAZDAUQW-HNNXBMFYSA-N 2 2 331.468 1.367 20 0 EDADLP CC[NH+](CC)CCC[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000276834414 443845670 /nfs/dbraw/zinc/84/56/70/443845670.db2.gz BKKKIYPAZDAUQW-HNNXBMFYSA-N 2 2 331.468 1.367 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000292933211 443881741 /nfs/dbraw/zinc/88/17/41/443881741.db2.gz HBDNSUWVQIKWMK-GOSISDBHSA-N 2 2 341.459 1.051 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000292933211 443881743 /nfs/dbraw/zinc/88/17/43/443881743.db2.gz HBDNSUWVQIKWMK-GOSISDBHSA-N 2 2 341.459 1.051 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531909012 320668708 /nfs/dbraw/zinc/66/87/08/320668708.db2.gz AHZCZQMOEVBRHX-OWCLPIDISA-N 2 2 335.452 1.214 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298894449 443895932 /nfs/dbraw/zinc/89/59/32/443895932.db2.gz LRUITGZKQJJEGH-DZGCQCFKSA-N 2 2 341.415 1.358 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000534325635 320703936 /nfs/dbraw/zinc/70/39/36/320703936.db2.gz LCPCPMXELWKNML-MRXNPFEDSA-N 2 2 334.464 1.989 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](CO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000293189022 443946946 /nfs/dbraw/zinc/94/69/46/443946946.db2.gz QBYVVDIDZJGINU-LJQANCHMSA-N 2 2 345.487 1.425 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](CO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000293189022 443946949 /nfs/dbraw/zinc/94/69/49/443946949.db2.gz QBYVVDIDZJGINU-LJQANCHMSA-N 2 2 345.487 1.425 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277243555 443947627 /nfs/dbraw/zinc/94/76/27/443947627.db2.gz PRYNQOZPWJOBJL-GOSISDBHSA-N 2 2 333.476 1.865 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277243555 443947632 /nfs/dbraw/zinc/94/76/32/443947632.db2.gz PRYNQOZPWJOBJL-GOSISDBHSA-N 2 2 333.476 1.865 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)CO ZINC000293286886 443973664 /nfs/dbraw/zinc/97/36/64/443973664.db2.gz CYHRZRNWVBYDDV-KRWDZBQOSA-N 2 2 333.476 1.342 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)CO ZINC000293286886 443973669 /nfs/dbraw/zinc/97/36/69/443973669.db2.gz CYHRZRNWVBYDDV-KRWDZBQOSA-N 2 2 333.476 1.342 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000299224468 443988231 /nfs/dbraw/zinc/98/82/31/443988231.db2.gz BMXLLIIZQVXBIX-UHFFFAOYSA-N 2 2 329.404 1.062 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000299224468 443988234 /nfs/dbraw/zinc/98/82/34/443988234.db2.gz BMXLLIIZQVXBIX-UHFFFAOYSA-N 2 2 329.404 1.062 20 0 EDADLP COC[C@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000285364901 443956792 /nfs/dbraw/zinc/95/67/92/443956792.db2.gz QWEJLFWIYFKWJI-AZUAARDMSA-N 2 2 347.503 1.934 20 0 EDADLP C[N@H+](CC(=O)Nc1ccccc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285372857 443959641 /nfs/dbraw/zinc/95/96/41/443959641.db2.gz CHERLLVCCUNUPC-PBWFPOADSA-N 2 2 330.432 1.281 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccccc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285372857 443959643 /nfs/dbraw/zinc/95/96/43/443959643.db2.gz CHERLLVCCUNUPC-PBWFPOADSA-N 2 2 330.432 1.281 20 0 EDADLP C[NH+](CC(=O)Nc1ccccc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285372857 443959646 /nfs/dbraw/zinc/95/96/46/443959646.db2.gz CHERLLVCCUNUPC-PBWFPOADSA-N 2 2 330.432 1.281 20 0 EDADLP C[NH+](CC(=O)Nc1ccccc1C(N)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285372857 443959650 /nfs/dbraw/zinc/95/96/50/443959650.db2.gz CHERLLVCCUNUPC-PBWFPOADSA-N 2 2 330.432 1.281 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548656322 320890250 /nfs/dbraw/zinc/89/02/50/320890250.db2.gz RIECLWRRQSJCII-HNNXBMFYSA-N 2 2 342.447 1.366 20 0 EDADLP C[N@H+](CCNC(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1)Cc1ccccc1 ZINC000285512849 444012618 /nfs/dbraw/zinc/01/26/18/444012618.db2.gz SKNQNYLBQDXLAD-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+](CCNC(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1)Cc1ccccc1 ZINC000285512849 444012622 /nfs/dbraw/zinc/01/26/22/444012622.db2.gz SKNQNYLBQDXLAD-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](CCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000285512849 444012624 /nfs/dbraw/zinc/01/26/24/444012624.db2.gz SKNQNYLBQDXLAD-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP C[NH+](CCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000285512849 444012627 /nfs/dbraw/zinc/01/26/27/444012627.db2.gz SKNQNYLBQDXLAD-ZWKOTPCHSA-N 2 2 346.475 1.233 20 0 EDADLP CC1(C)OCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000293632746 444075297 /nfs/dbraw/zinc/07/52/97/444075297.db2.gz HPPNOMGVFFWYRY-OAHLLOKOSA-N 2 2 332.448 1.277 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCCC[NH2+]C(C)C)ccc2n1C ZINC000561003384 321030862 /nfs/dbraw/zinc/03/08/62/321030862.db2.gz FQZPIRBTUXXRBC-UHFFFAOYSA-N 2 2 331.420 1.325 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000563101500 321095654 /nfs/dbraw/zinc/09/56/54/321095654.db2.gz GDNADSPXUZOUED-SNVBAGLBSA-N 2 2 332.231 1.474 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000563101500 321095655 /nfs/dbraw/zinc/09/56/55/321095655.db2.gz GDNADSPXUZOUED-SNVBAGLBSA-N 2 2 332.231 1.474 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000563392907 321107706 /nfs/dbraw/zinc/10/77/06/321107706.db2.gz QYTXCLTZBFFDFV-HNNXBMFYSA-N 2 2 332.448 1.704 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3nncn3C)c2cc1C ZINC000564698602 321142476 /nfs/dbraw/zinc/14/24/76/321142476.db2.gz ZGMQFZKDFRNPAF-KBPBESRZSA-N 2 2 328.420 1.493 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566010425 321210747 /nfs/dbraw/zinc/21/07/47/321210747.db2.gz UEOJTNCZDTYWAS-PXNSSMCTSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000566010425 321210749 /nfs/dbraw/zinc/21/07/49/321210749.db2.gz UEOJTNCZDTYWAS-PXNSSMCTSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1csc(CCCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000566109176 321216002 /nfs/dbraw/zinc/21/60/02/321216002.db2.gz KPGPVPICEBPKKY-OAGGEKHMSA-N 2 2 341.521 1.834 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CC[NH2+][C@H]3C)CCCC2)no1 ZINC000566285998 321225323 /nfs/dbraw/zinc/22/53/23/321225323.db2.gz AFPKDFWNONBPQH-KBPBESRZSA-N 2 2 349.479 1.795 20 0 EDADLP Cc1csc(NC(=O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)n1 ZINC000567663169 321252058 /nfs/dbraw/zinc/25/20/58/321252058.db2.gz DNUIQMQYKBCJSB-UHFFFAOYSA-N 2 2 346.460 1.527 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@H]3C)c2)CC1 ZINC000568391381 321289420 /nfs/dbraw/zinc/28/94/20/321289420.db2.gz XCXFRSUFJOGTFY-KBXCAEBGSA-N 2 2 344.459 1.287 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000568409258 321290912 /nfs/dbraw/zinc/29/09/12/321290912.db2.gz DGIKTFBWZYHSEU-GHMZBOCLSA-N 2 2 329.326 1.858 20 0 EDADLP O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000568489727 321293408 /nfs/dbraw/zinc/29/34/08/321293408.db2.gz FDMWWRFIGXWKFC-HNNXBMFYSA-N 2 2 331.464 1.871 20 0 EDADLP CC(=O)c1cccc(OCCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000570041198 321335827 /nfs/dbraw/zinc/33/58/27/321335827.db2.gz LZGKVLHLAFJGDL-MRXNPFEDSA-N 2 2 333.432 1.150 20 0 EDADLP CC(=O)c1cccc(OCCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000570041198 321335828 /nfs/dbraw/zinc/33/58/28/321335828.db2.gz LZGKVLHLAFJGDL-MRXNPFEDSA-N 2 2 333.432 1.150 20 0 EDADLP Cc1ccc(OCCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000570508666 321343297 /nfs/dbraw/zinc/34/32/97/321343297.db2.gz FMBDDRQBJPTUJT-KURKYZTESA-N 2 2 336.476 1.824 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000289338829 444112018 /nfs/dbraw/zinc/11/20/18/444112018.db2.gz IXFQFGWNBQPBJW-SUMWQHHRSA-N 2 2 333.432 1.749 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000289338829 444112022 /nfs/dbraw/zinc/11/20/22/444112022.db2.gz IXFQFGWNBQPBJW-SUMWQHHRSA-N 2 2 333.432 1.749 20 0 EDADLP CN1CC[C@@H]([N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1=O ZINC000289394233 444129141 /nfs/dbraw/zinc/12/91/41/444129141.db2.gz RIQZGUMACHLMIV-HUUCEWRRSA-N 2 2 330.432 1.366 20 0 EDADLP CN1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1=O ZINC000289394233 444129146 /nfs/dbraw/zinc/12/91/46/444129146.db2.gz RIQZGUMACHLMIV-HUUCEWRRSA-N 2 2 330.432 1.366 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278382689 444147958 /nfs/dbraw/zinc/14/79/58/444147958.db2.gz CYIUZWYDUXIUJV-INIZCTEOSA-N 2 2 325.416 1.819 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278382689 444147964 /nfs/dbraw/zinc/14/79/64/444147964.db2.gz CYIUZWYDUXIUJV-INIZCTEOSA-N 2 2 325.416 1.819 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301182420 444152192 /nfs/dbraw/zinc/15/21/92/444152192.db2.gz POUGXUCTUVLZIN-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301182420 444152195 /nfs/dbraw/zinc/15/21/95/444152195.db2.gz POUGXUCTUVLZIN-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289492156 444157151 /nfs/dbraw/zinc/15/71/51/444157151.db2.gz JNBKLJRKHLNKSD-KBRIMQKVSA-N 2 2 326.387 1.840 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289492156 444157154 /nfs/dbraw/zinc/15/71/54/444157154.db2.gz JNBKLJRKHLNKSD-KBRIMQKVSA-N 2 2 326.387 1.840 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000294958122 444161830 /nfs/dbraw/zinc/16/18/30/444161830.db2.gz FSIPZAHPNIAFBC-ROUUACIJSA-N 2 2 332.492 1.383 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000294958122 444161833 /nfs/dbraw/zinc/16/18/33/444161833.db2.gz FSIPZAHPNIAFBC-ROUUACIJSA-N 2 2 332.492 1.383 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c(C)[nH+]1 ZINC000278265083 444123625 /nfs/dbraw/zinc/12/36/25/444123625.db2.gz WZEPJGBWLFZAKJ-UHFFFAOYSA-N 2 2 330.432 1.628 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301517137 444176296 /nfs/dbraw/zinc/17/62/96/444176296.db2.gz DATWAWDCZXAFOG-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301517137 444176298 /nfs/dbraw/zinc/17/62/98/444176298.db2.gz DATWAWDCZXAFOG-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP Cc1cnn(C)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000289660361 444187743 /nfs/dbraw/zinc/18/77/43/444187743.db2.gz YNWOWRHVRNUHND-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000289660361 444187745 /nfs/dbraw/zinc/18/77/45/444187745.db2.gz YNWOWRHVRNUHND-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000289660361 444187748 /nfs/dbraw/zinc/18/77/48/444187748.db2.gz YNWOWRHVRNUHND-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)ccc2n1C ZINC000576491086 321571471 /nfs/dbraw/zinc/57/14/71/321571471.db2.gz OKTPPMINTCQENW-YPMHNXCESA-N 2 2 343.431 1.264 20 0 EDADLP Cn1c[nH+]cc1CCN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000290186762 444252275 /nfs/dbraw/zinc/25/22/75/444252275.db2.gz ZSEPVNDKRGROIA-SFHVURJKSA-N 2 2 344.459 1.020 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(I)cc1 ZINC000305116540 444258987 /nfs/dbraw/zinc/25/89/87/444258987.db2.gz IEBYFXVCEFOQKF-GWCFXTLKSA-N 2 2 348.228 1.864 20 0 EDADLP CC(C)C[C@@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000305128826 444259678 /nfs/dbraw/zinc/25/96/78/444259678.db2.gz JGWVBAJGFOIRRT-INIZCTEOSA-N 2 2 340.512 1.251 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997071 444228616 /nfs/dbraw/zinc/22/86/16/444228616.db2.gz YTFMBHZREURNKO-PBHICJAKSA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997071 444228618 /nfs/dbraw/zinc/22/86/18/444228618.db2.gz YTFMBHZREURNKO-PBHICJAKSA-N 2 2 337.489 1.785 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000296431787 444229297 /nfs/dbraw/zinc/22/92/97/444229297.db2.gz NFMUXIBYSWDOJX-CQSZACIVSA-N 2 2 344.459 1.346 20 0 EDADLP C[C@H](CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1)C[NH+]1CCCC1 ZINC000302919681 444232072 /nfs/dbraw/zinc/23/20/72/444232072.db2.gz YQRAZBAATKSKER-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H](CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1)C[NH+]1CCCC1 ZINC000302919681 444232074 /nfs/dbraw/zinc/23/20/74/444232074.db2.gz YQRAZBAATKSKER-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000577163521 321627994 /nfs/dbraw/zinc/62/79/94/321627994.db2.gz FYDXVTNDUZKCFX-MRXNPFEDSA-N 2 2 329.448 1.718 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cn4cccnc4n3)[nH+]c2)C1 ZINC000297572628 444303177 /nfs/dbraw/zinc/30/31/77/444303177.db2.gz HWUUFQFGCIZRLW-MRXNPFEDSA-N 2 2 337.431 1.877 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000297656384 444314335 /nfs/dbraw/zinc/31/43/35/444314335.db2.gz ISDUNKRPHSXDJW-QGZVFWFLSA-N 2 2 328.416 1.069 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000577726525 321676955 /nfs/dbraw/zinc/67/69/55/321676955.db2.gz OHEWTEUMACFJQD-UHFFFAOYSA-N 2 2 348.495 1.299 20 0 EDADLP Cc1c[nH]nc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000290403088 444276645 /nfs/dbraw/zinc/27/66/45/444276645.db2.gz KQGPSKGJIXQDQP-UHFFFAOYSA-N 2 2 343.475 1.981 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000337721613 444373462 /nfs/dbraw/zinc/37/34/62/444373462.db2.gz PRBZDVDDFDYAQO-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000337721613 444373466 /nfs/dbraw/zinc/37/34/66/444373466.db2.gz PRBZDVDDFDYAQO-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000337721613 444373469 /nfs/dbraw/zinc/37/34/69/444373469.db2.gz PRBZDVDDFDYAQO-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000337721613 444373471 /nfs/dbraw/zinc/37/34/71/444373471.db2.gz PRBZDVDDFDYAQO-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CN(C(=O)c1cn(C)cn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000340303021 444376962 /nfs/dbraw/zinc/37/69/62/444376962.db2.gz UJDWRRLXGUFMAG-QZTJIDSGSA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1cn(C)cn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340303021 444376966 /nfs/dbraw/zinc/37/69/66/444376966.db2.gz UJDWRRLXGUFMAG-QZTJIDSGSA-N 2 2 347.507 1.829 20 0 EDADLP CCN1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000578898714 321850652 /nfs/dbraw/zinc/85/06/52/321850652.db2.gz DZSUTMHCKWYGIT-ZBFHGGJFSA-N 2 2 342.447 1.382 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000579098144 321881842 /nfs/dbraw/zinc/88/18/42/321881842.db2.gz VYJWZSQZBAEUJM-OLZOCXBDSA-N 2 2 341.406 1.613 20 0 EDADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000331246766 444456688 /nfs/dbraw/zinc/45/66/88/444456688.db2.gz USXPYSWKWFIKGD-AWEZNQCLSA-N 2 2 335.496 1.859 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000579572452 321948709 /nfs/dbraw/zinc/94/87/09/321948709.db2.gz NYEGYLHLIHGQMJ-KBPBESRZSA-N 2 2 348.447 1.021 20 0 EDADLP COCC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(C)(C)C ZINC000338011892 444485634 /nfs/dbraw/zinc/48/56/34/444485634.db2.gz JEDCFOGQSNJHGI-GOSISDBHSA-N 2 2 341.540 1.824 20 0 EDADLP COCC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(C)(C)C ZINC000338011892 444485637 /nfs/dbraw/zinc/48/56/37/444485637.db2.gz JEDCFOGQSNJHGI-GOSISDBHSA-N 2 2 341.540 1.824 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CCn2cc[nH+]c2)cc1 ZINC000338029090 444491748 /nfs/dbraw/zinc/49/17/48/444491748.db2.gz OYRWLXWKKIBBDB-GOSISDBHSA-N 2 2 342.443 1.771 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)[nH+]c2)C1 ZINC000580062660 322003263 /nfs/dbraw/zinc/00/32/63/322003263.db2.gz PAVVHWDVURWGFC-ZIFCJYIRSA-N 3 2 345.491 1.401 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000580062762 322003304 /nfs/dbraw/zinc/00/33/04/322003304.db2.gz FTHNNGJRIDTEHT-DOMZBBRYSA-N 2 2 341.452 1.453 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)n1C ZINC000580347224 322040790 /nfs/dbraw/zinc/04/07/90/322040790.db2.gz PAFOGPSZWXQDIM-SFHVURJKSA-N 2 2 342.443 1.288 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)Cc2ccccc2C1 ZINC000580835703 322101990 /nfs/dbraw/zinc/10/19/90/322101990.db2.gz LVJFVDITLLWTCM-KRWDZBQOSA-N 2 2 338.455 1.661 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000580887306 322107806 /nfs/dbraw/zinc/10/78/06/322107806.db2.gz MFJFCONELRPZPJ-DOMZBBRYSA-N 2 2 341.452 1.596 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581072475 322132327 /nfs/dbraw/zinc/13/23/27/322132327.db2.gz RJRCSVUTZRSVQO-HXUWFJFHSA-N 2 2 345.487 1.915 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581072475 322132330 /nfs/dbraw/zinc/13/23/30/322132330.db2.gz RJRCSVUTZRSVQO-HXUWFJFHSA-N 2 2 345.487 1.915 20 0 EDADLP CC(C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](C)O ZINC000340771276 444505183 /nfs/dbraw/zinc/50/51/83/444505183.db2.gz NVVRNZNFDSGYTN-INIZCTEOSA-N 2 2 349.475 1.549 20 0 EDADLP CC(C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](C)O ZINC000340771276 444505186 /nfs/dbraw/zinc/50/51/86/444505186.db2.gz NVVRNZNFDSGYTN-INIZCTEOSA-N 2 2 349.475 1.549 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000581832565 322222392 /nfs/dbraw/zinc/22/23/92/322222392.db2.gz MPLUOEZGSJMAHJ-CYBMUJFWSA-N 2 2 328.420 1.374 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000581832565 322222395 /nfs/dbraw/zinc/22/23/95/322222395.db2.gz MPLUOEZGSJMAHJ-CYBMUJFWSA-N 2 2 328.420 1.374 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000343778071 444584431 /nfs/dbraw/zinc/58/44/31/444584431.db2.gz IHKYNWMYOOASIJ-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCOCC1 ZINC000338159758 444541425 /nfs/dbraw/zinc/54/14/25/444541425.db2.gz PGOWOJNGZQGFLX-UHFFFAOYSA-N 2 2 342.443 1.658 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1C[NH+]1CCN(C)C[C@H]1C ZINC000343717453 444542887 /nfs/dbraw/zinc/54/28/87/444542887.db2.gz QZURDYDHYUQVMY-QZTJIDSGSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1C[NH+]1CCN(C)C[C@H]1C ZINC000343717453 444542890 /nfs/dbraw/zinc/54/28/90/444542890.db2.gz QZURDYDHYUQVMY-QZTJIDSGSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1Cc1ccccc1C[N@@H+]1CCN(C)C[C@H]1C ZINC000343717453 444542893 /nfs/dbraw/zinc/54/28/93/444542893.db2.gz QZURDYDHYUQVMY-QZTJIDSGSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1Cc1ccccc1C[N@H+]1CCN(C)C[C@H]1C ZINC000343717453 444542895 /nfs/dbraw/zinc/54/28/95/444542895.db2.gz QZURDYDHYUQVMY-QZTJIDSGSA-N 2 2 330.520 1.958 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)C2 ZINC000329558992 444628252 /nfs/dbraw/zinc/62/82/52/444628252.db2.gz IFWPXGRCPPPYIC-IRXDYDNUSA-N 2 2 346.475 1.325 20 0 EDADLP NC(=O)[C@H]1CCO[C@H]1C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000343853492 444628864 /nfs/dbraw/zinc/62/88/64/444628864.db2.gz SKUINXTWIYHMHG-RDJZCZTQSA-N 2 2 328.416 1.437 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000332887936 444586493 /nfs/dbraw/zinc/58/64/93/444586493.db2.gz IBWKDIWNSAYVDI-LSDHHAIUSA-N 2 2 331.464 1.927 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000332887936 444586497 /nfs/dbraw/zinc/58/64/97/444586497.db2.gz IBWKDIWNSAYVDI-LSDHHAIUSA-N 2 2 331.464 1.927 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000332938081 444603559 /nfs/dbraw/zinc/60/35/59/444603559.db2.gz XUSLADQCFHBYBO-RDJZCZTQSA-N 2 2 349.479 1.334 20 0 EDADLP COc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)nn1 ZINC000338281742 444609773 /nfs/dbraw/zinc/60/97/73/444609773.db2.gz SJYQVQYIRYJUKD-UHFFFAOYSA-N 2 2 333.480 1.476 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000342279439 444609822 /nfs/dbraw/zinc/60/98/22/444609822.db2.gz FZWRSRJQVHLSPL-OKZBNKHCSA-N 2 2 337.508 1.819 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338284213 444610823 /nfs/dbraw/zinc/61/08/23/444610823.db2.gz XWAXSMTVMQEJNN-DLBZAZTESA-N 2 2 339.480 1.158 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338284213 444610825 /nfs/dbraw/zinc/61/08/25/444610825.db2.gz XWAXSMTVMQEJNN-DLBZAZTESA-N 2 2 339.480 1.158 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000338292237 444614866 /nfs/dbraw/zinc/61/48/66/444614866.db2.gz RNAIJWKRTFFXDE-HUUCEWRRSA-N 2 2 348.472 1.804 20 0 EDADLP Cc1c[nH+]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000341049944 444652413 /nfs/dbraw/zinc/65/24/13/444652413.db2.gz QDOMWHXFEUYRKL-ZWKOTPCHSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1c[nH+]c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000341049944 444652416 /nfs/dbraw/zinc/65/24/16/444652416.db2.gz QDOMWHXFEUYRKL-ZWKOTPCHSA-N 2 2 328.460 1.701 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC(F)(F)F)CC2)CC1 ZINC000341088432 444667279 /nfs/dbraw/zinc/66/72/79/444667279.db2.gz QJPLDNRDXCBHTC-UHFFFAOYSA-N 2 2 336.402 1.797 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343919532 444668990 /nfs/dbraw/zinc/66/89/90/444668990.db2.gz FXXKNPVNHKYTAH-YESZJQIVSA-N 2 2 325.497 1.676 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343919532 444668994 /nfs/dbraw/zinc/66/89/94/444668994.db2.gz FXXKNPVNHKYTAH-YESZJQIVSA-N 2 2 325.497 1.676 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(=O)NC1CCCCC1 ZINC000333893180 444710695 /nfs/dbraw/zinc/71/06/95/444710695.db2.gz XOIONIWETNJJLT-ZBFHGGJFSA-N 2 2 336.480 1.609 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(=O)NC1CCCCC1 ZINC000333893180 444710698 /nfs/dbraw/zinc/71/06/98/444710698.db2.gz XOIONIWETNJJLT-ZBFHGGJFSA-N 2 2 336.480 1.609 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000344019307 444731834 /nfs/dbraw/zinc/73/18/34/444731834.db2.gz QYWPPUPARQAIDB-MRXNPFEDSA-N 2 2 346.475 1.549 20 0 EDADLP Cc1ccnc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000329909506 444763369 /nfs/dbraw/zinc/76/33/69/444763369.db2.gz MOGRRTPTJXTICZ-UHFFFAOYSA-N 2 2 331.464 1.465 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCn1cc(Br)cn1 ZINC000336811816 444797265 /nfs/dbraw/zinc/79/72/65/444797265.db2.gz OPUNIPKDRPTJJY-DGCLKSJQSA-N 2 2 331.258 1.392 20 0 EDADLP CN(C)c1nc(N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)cc[nH+]1 ZINC000338714652 444818372 /nfs/dbraw/zinc/81/83/72/444818372.db2.gz UYRIAGALYKROHS-CYBMUJFWSA-N 2 2 328.420 1.661 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000342695155 444819574 /nfs/dbraw/zinc/81/95/74/444819574.db2.gz OWKDZNMGECHCLH-QXAKKESOSA-N 2 2 345.487 1.434 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000342703576 444824160 /nfs/dbraw/zinc/82/41/60/444824160.db2.gz DWOSVRQMYMSSOZ-GBESFXJTSA-N 2 2 343.471 1.718 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCSC[C@H]3CCO)c2cc1C ZINC000336879025 444825965 /nfs/dbraw/zinc/82/59/65/444825965.db2.gz KVGZLQTVBJPXOV-CVEARBPZSA-N 2 2 349.500 1.814 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCSC[C@H]3CCO)c2cc1C ZINC000336879025 444825967 /nfs/dbraw/zinc/82/59/67/444825967.db2.gz KVGZLQTVBJPXOV-CVEARBPZSA-N 2 2 349.500 1.814 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000344204915 444838176 /nfs/dbraw/zinc/83/81/76/444838176.db2.gz BHLAQWRVHRKRBE-ROUUACIJSA-N 3 2 346.523 1.309 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000344204915 444838179 /nfs/dbraw/zinc/83/81/79/444838179.db2.gz BHLAQWRVHRKRBE-ROUUACIJSA-N 3 2 346.523 1.309 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000342764499 444854537 /nfs/dbraw/zinc/85/45/37/444854537.db2.gz IMOYRVDXOYBTAH-BBRMVZONSA-N 2 2 337.414 1.794 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[N@H+]1CCc2ccccc2C1 ZINC000342764499 444854542 /nfs/dbraw/zinc/85/45/42/444854542.db2.gz IMOYRVDXOYBTAH-BBRMVZONSA-N 2 2 337.414 1.794 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccnn2C(C)C)CC1 ZINC000344248767 444862430 /nfs/dbraw/zinc/86/24/30/444862430.db2.gz GEUQOFHPXHFFSE-SJLPKXTDSA-N 2 2 336.480 1.994 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCN(C(C)C)C2=O)CC1 ZINC000342779716 444863821 /nfs/dbraw/zinc/86/38/21/444863821.db2.gz KKSFBDJMQMWOSF-HNNXBMFYSA-N 2 2 325.453 1.003 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@]2(C)CCCC[C@H]2O)CC1 ZINC000342796674 444871408 /nfs/dbraw/zinc/87/14/08/444871408.db2.gz QMHDVVLHRDYESA-SJLPKXTDSA-N 2 2 326.481 1.935 20 0 EDADLP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)C1=O ZINC000337044839 444915490 /nfs/dbraw/zinc/91/54/90/444915490.db2.gz DYGSNTHZVMCXED-CABCVRRESA-N 2 2 330.432 1.134 20 0 EDADLP CC1(C)NC(=O)N(CCC[N@H+]2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)C1=O ZINC000337044839 444915494 /nfs/dbraw/zinc/91/54/94/444915494.db2.gz DYGSNTHZVMCXED-CABCVRRESA-N 2 2 330.432 1.134 20 0 EDADLP CC(C)n1nccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000337172943 444973105 /nfs/dbraw/zinc/97/31/05/444973105.db2.gz GVNWMXQRLPXIDR-UHFFFAOYSA-N 2 2 329.452 1.642 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337080939 444933939 /nfs/dbraw/zinc/93/39/39/444933939.db2.gz VZOULKAFRNIBHW-MOPGFXCFSA-N 2 2 347.503 1.840 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337080939 444933943 /nfs/dbraw/zinc/93/39/43/444933943.db2.gz VZOULKAFRNIBHW-MOPGFXCFSA-N 2 2 347.503 1.840 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000342981850 444987787 /nfs/dbraw/zinc/98/77/87/444987787.db2.gz ULTGKCLZILMCJZ-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000342981850 444987788 /nfs/dbraw/zinc/98/77/88/444987788.db2.gz ULTGKCLZILMCJZ-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3COC[C@H]3n3ccnn3)sc2C1 ZINC000344464142 444992127 /nfs/dbraw/zinc/99/21/27/444992127.db2.gz XGBGCZKYHSNCLA-ZIAGYGMSSA-N 2 2 348.476 1.231 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3COC[C@H]3n3ccnn3)sc2C1 ZINC000344464142 444992132 /nfs/dbraw/zinc/99/21/32/444992132.db2.gz XGBGCZKYHSNCLA-ZIAGYGMSSA-N 2 2 348.476 1.231 20 0 EDADLP CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC000337248349 445002895 /nfs/dbraw/zinc/00/28/95/445002895.db2.gz KZTIDWSUQVYYFQ-UHFFFAOYSA-N 2 2 338.883 1.978 20 0 EDADLP CC[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000344486186 445003923 /nfs/dbraw/zinc/00/39/23/445003923.db2.gz XJSUQIPBLKGNFY-QGTPRVQTSA-N 2 2 331.460 1.316 20 0 EDADLP CC[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000344486186 445003927 /nfs/dbraw/zinc/00/39/27/445003927.db2.gz XJSUQIPBLKGNFY-QGTPRVQTSA-N 2 2 331.460 1.316 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]21 ZINC000341884760 445052663 /nfs/dbraw/zinc/05/26/63/445052663.db2.gz CYDFFHGQMFQDEJ-XUVXKRRUSA-N 2 2 345.487 1.292 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]21 ZINC000341884760 445052667 /nfs/dbraw/zinc/05/26/67/445052667.db2.gz CYDFFHGQMFQDEJ-XUVXKRRUSA-N 2 2 345.487 1.292 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]21 ZINC000341884760 445052669 /nfs/dbraw/zinc/05/26/69/445052669.db2.gz CYDFFHGQMFQDEJ-XUVXKRRUSA-N 2 2 345.487 1.292 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]21 ZINC000341884760 445052672 /nfs/dbraw/zinc/05/26/72/445052672.db2.gz CYDFFHGQMFQDEJ-XUVXKRRUSA-N 2 2 345.487 1.292 20 0 EDADLP Cn1nnc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)ccc21 ZINC000337415658 445069972 /nfs/dbraw/zinc/06/99/72/445069972.db2.gz RGSIBQMZYKOCNM-MRXNPFEDSA-N 2 2 329.448 1.513 20 0 EDADLP Cn1nnc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)ccc21 ZINC000337415658 445069974 /nfs/dbraw/zinc/06/99/74/445069974.db2.gz RGSIBQMZYKOCNM-MRXNPFEDSA-N 2 2 329.448 1.513 20 0 EDADLP OCCOC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000337546168 445130460 /nfs/dbraw/zinc/13/04/60/445130460.db2.gz LSCKJVWQQNPZGJ-UHFFFAOYSA-N 2 2 335.448 1.198 20 0 EDADLP O=C(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)NCc1ccco1 ZINC000337524489 445119510 /nfs/dbraw/zinc/11/95/10/445119510.db2.gz RBFJFRCVJWSWGQ-UHFFFAOYSA-N 2 2 349.354 1.532 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000337544501 445129788 /nfs/dbraw/zinc/12/97/88/445129788.db2.gz LOOGUWVDOOSYTI-UHFFFAOYSA-N 2 2 331.464 1.786 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1 ZINC000342083006 445162365 /nfs/dbraw/zinc/16/23/65/445162365.db2.gz KDBVELPUMRCQJJ-VUCTXSBTSA-N 2 2 333.432 1.702 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1 ZINC000342083006 445162369 /nfs/dbraw/zinc/16/23/69/445162369.db2.gz KDBVELPUMRCQJJ-VUCTXSBTSA-N 2 2 333.432 1.702 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000345302050 445179830 /nfs/dbraw/zinc/17/98/30/445179830.db2.gz NWXGAGOGSBAYBE-ULLKRIBWSA-N 2 2 340.471 1.958 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000345302050 445179835 /nfs/dbraw/zinc/17/98/35/445179835.db2.gz NWXGAGOGSBAYBE-ULLKRIBWSA-N 2 2 340.471 1.958 20 0 EDADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000346151807 445207002 /nfs/dbraw/zinc/20/70/02/445207002.db2.gz BRFGVLRVXREWQR-QGZVFWFLSA-N 2 2 333.395 2.480 20 0 EDADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000346151807 445207004 /nfs/dbraw/zinc/20/70/04/445207004.db2.gz BRFGVLRVXREWQR-QGZVFWFLSA-N 2 2 333.395 2.480 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN(C)C[C@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000346463063 445215643 /nfs/dbraw/zinc/21/56/43/445215643.db2.gz MGZKDRMFISQZFK-MISYRCLQSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN(C)C[C@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000346463063 445215645 /nfs/dbraw/zinc/21/56/45/445215645.db2.gz MGZKDRMFISQZFK-MISYRCLQSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000346463063 445215647 /nfs/dbraw/zinc/21/56/47/445215647.db2.gz MGZKDRMFISQZFK-MISYRCLQSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000346463063 445215649 /nfs/dbraw/zinc/21/56/49/445215649.db2.gz MGZKDRMFISQZFK-MISYRCLQSA-N 2 2 347.503 1.711 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346902750 445227998 /nfs/dbraw/zinc/22/79/98/445227998.db2.gz YGLCEVRIXLOSID-XYJFISCASA-N 2 2 349.523 1.992 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346902750 445227999 /nfs/dbraw/zinc/22/79/99/445227999.db2.gz YGLCEVRIXLOSID-XYJFISCASA-N 2 2 349.523 1.992 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346902750 445228000 /nfs/dbraw/zinc/22/80/00/445228000.db2.gz YGLCEVRIXLOSID-XYJFISCASA-N 2 2 349.523 1.992 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346902750 445228001 /nfs/dbraw/zinc/22/80/01/445228001.db2.gz YGLCEVRIXLOSID-XYJFISCASA-N 2 2 349.523 1.992 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2cnc3cnccn23)CCC[N@@H+]1C ZINC000343473026 445229462 /nfs/dbraw/zinc/22/94/62/445229462.db2.gz ZDQCMVBSJCFFMC-KSSFIOAISA-N 2 2 339.447 1.636 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2cnc3cnccn23)CCC[N@H+]1C ZINC000343473026 445229463 /nfs/dbraw/zinc/22/94/63/445229463.db2.gz ZDQCMVBSJCFFMC-KSSFIOAISA-N 2 2 339.447 1.636 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000343508508 445235982 /nfs/dbraw/zinc/23/59/82/445235982.db2.gz SPLVLKWJSCKRAL-PKOBYXMFSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000343508508 445235977 /nfs/dbraw/zinc/23/59/77/445235977.db2.gz SPLVLKWJSCKRAL-PKOBYXMFSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000343508508 445235979 /nfs/dbraw/zinc/23/59/79/445235979.db2.gz SPLVLKWJSCKRAL-PKOBYXMFSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000343508508 445235980 /nfs/dbraw/zinc/23/59/80/445235980.db2.gz SPLVLKWJSCKRAL-PKOBYXMFSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348333393 445260128 /nfs/dbraw/zinc/26/01/28/445260128.db2.gz YOZIFGVIPYITPX-YSIASYRMSA-N 2 2 329.488 1.771 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348333393 445260129 /nfs/dbraw/zinc/26/01/29/445260129.db2.gz YOZIFGVIPYITPX-YSIASYRMSA-N 2 2 329.488 1.771 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH2+]CCCc3ccc(C)[nH+]c3)C2=O)n(C)n1 ZINC000354498924 445264819 /nfs/dbraw/zinc/26/48/19/445264819.db2.gz JXZCZAKGBPPHIL-MRXNPFEDSA-N 2 2 327.432 1.760 20 0 EDADLP O[C@H](COc1ccccc1F)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354597126 445308630 /nfs/dbraw/zinc/30/86/30/445308630.db2.gz NMQIZMGADJCKGD-AWEZNQCLSA-N 2 2 334.395 1.106 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000343631763 445271620 /nfs/dbraw/zinc/27/16/20/445271620.db2.gz NSTGNZUIOXLSLZ-PMPSAXMXSA-N 2 2 331.464 1.501 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000354566479 445297271 /nfs/dbraw/zinc/29/72/71/445297271.db2.gz CIFYQKLPHUCFLA-UHFFFAOYSA-N 2 2 331.420 1.905 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1[NH+]1CCOCC1 ZINC000354577510 445300956 /nfs/dbraw/zinc/30/09/56/445300956.db2.gz NCTWFYHBTXPLEI-OAGGEKHMSA-N 2 2 332.448 1.330 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n(-c2ccccc2F)n1 ZINC000351854302 445343887 /nfs/dbraw/zinc/34/38/87/445343887.db2.gz QFHRNYPITVJNLJ-UONOGXRCSA-N 2 2 345.422 1.927 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n(-c2ccccc2F)n1 ZINC000351854302 445343890 /nfs/dbraw/zinc/34/38/90/445343890.db2.gz QFHRNYPITVJNLJ-UONOGXRCSA-N 2 2 345.422 1.927 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362383752 445354956 /nfs/dbraw/zinc/35/49/56/445354956.db2.gz AVACPJJLYMRUER-AEFFLSMTSA-N 2 2 345.487 1.770 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362383752 445354963 /nfs/dbraw/zinc/35/49/63/445354963.db2.gz AVACPJJLYMRUER-AEFFLSMTSA-N 2 2 345.487 1.770 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000354748124 445364355 /nfs/dbraw/zinc/36/43/55/445364355.db2.gz KXXKVMCWHIRCJE-UHFFFAOYSA-N 2 2 346.475 1.328 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357077083 445410823 /nfs/dbraw/zinc/41/08/23/445410823.db2.gz JKMAVKSIKXPRET-AEGPPILISA-N 2 2 330.432 1.513 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357077083 445410827 /nfs/dbraw/zinc/41/08/27/445410827.db2.gz JKMAVKSIKXPRET-AEGPPILISA-N 2 2 330.432 1.513 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCCCOc1ccccc1F ZINC000357087675 445420273 /nfs/dbraw/zinc/42/02/73/445420273.db2.gz SEYMLFLWFMSMTE-GJZGRUSLSA-N 2 2 335.423 1.252 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCCCOc1ccccc1F ZINC000357087675 445420276 /nfs/dbraw/zinc/42/02/76/445420276.db2.gz SEYMLFLWFMSMTE-GJZGRUSLSA-N 2 2 335.423 1.252 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357093489 445425175 /nfs/dbraw/zinc/42/51/75/445425175.db2.gz WHTHEBZTQLGBPU-IHRRRGAJSA-N 2 2 333.432 1.572 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357093489 445425179 /nfs/dbraw/zinc/42/51/79/445425179.db2.gz WHTHEBZTQLGBPU-IHRRRGAJSA-N 2 2 333.432 1.572 20 0 EDADLP Cc1cc(N(C)C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)nc[nH+]1 ZINC000359710588 445387049 /nfs/dbraw/zinc/38/70/49/445387049.db2.gz DDTXQPLIXBEPBO-KGLIPLIRSA-N 2 2 345.426 1.694 20 0 EDADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000351947070 445392363 /nfs/dbraw/zinc/39/23/63/445392363.db2.gz LVWHOANKKKSHCD-LSDHHAIUSA-N 2 2 339.459 1.133 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000351947070 445392367 /nfs/dbraw/zinc/39/23/67/445392367.db2.gz LVWHOANKKKSHCD-LSDHHAIUSA-N 2 2 339.459 1.133 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000362465846 445395132 /nfs/dbraw/zinc/39/51/32/445395132.db2.gz BVAARQDFTQOHPY-KRWDZBQOSA-N 2 2 347.459 1.189 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000362465846 445395134 /nfs/dbraw/zinc/39/51/34/445395134.db2.gz BVAARQDFTQOHPY-KRWDZBQOSA-N 2 2 347.459 1.189 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1Cc1ccccc1 ZINC000357193905 445475473 /nfs/dbraw/zinc/47/54/73/445475473.db2.gz WIJKWSSVHXKTKX-MSOLQXFVSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1Cc1ccccc1 ZINC000357193905 445475476 /nfs/dbraw/zinc/47/54/76/445475476.db2.gz WIJKWSSVHXKTKX-MSOLQXFVSA-N 2 2 338.455 1.831 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000362547375 445432908 /nfs/dbraw/zinc/43/29/08/445432908.db2.gz IQGCNDOLPWYYFH-RDJZCZTQSA-N 2 2 326.444 1.788 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000362547375 445432913 /nfs/dbraw/zinc/43/29/13/445432913.db2.gz IQGCNDOLPWYYFH-RDJZCZTQSA-N 2 2 326.444 1.788 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NCC[NH+]2CCOCC2)cc[nH+]1 ZINC000362566661 445443104 /nfs/dbraw/zinc/44/31/04/445443104.db2.gz YTJDXOINTBRMNM-WBVHZDCISA-N 2 2 349.479 1.836 20 0 EDADLP C[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000348937013 445448356 /nfs/dbraw/zinc/44/83/56/445448356.db2.gz YMCOYCJJTMKYSB-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000348937013 445448359 /nfs/dbraw/zinc/44/83/59/445448359.db2.gz YMCOYCJJTMKYSB-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000357143540 445452237 /nfs/dbraw/zinc/45/22/37/445452237.db2.gz JITMHXQZHUKXTN-MRXNPFEDSA-N 2 2 344.459 1.650 20 0 EDADLP COC(=O)c1ccccc1CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000359856548 445461926 /nfs/dbraw/zinc/46/19/26/445461926.db2.gz LRAZKYVTQYENCB-UHFFFAOYSA-N 2 2 328.416 1.557 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355937874 445536754 /nfs/dbraw/zinc/53/67/54/445536754.db2.gz LSYNFRARKKDXIY-LSDHHAIUSA-N 2 2 340.431 1.283 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355937874 445536757 /nfs/dbraw/zinc/53/67/57/445536757.db2.gz LSYNFRARKKDXIY-LSDHHAIUSA-N 2 2 340.431 1.283 20 0 EDADLP CCN(CC)c1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)c[nH+]1 ZINC000352397426 445526318 /nfs/dbraw/zinc/52/63/18/445526318.db2.gz JPLCIDOWCDQWDL-UHFFFAOYSA-N 2 2 342.447 2.167 20 0 EDADLP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362664639 445485917 /nfs/dbraw/zinc/48/59/17/445485917.db2.gz NANUQTBGHLEQKO-DOTOQJQBSA-N 2 2 331.460 1.695 20 0 EDADLP COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362664639 445485919 /nfs/dbraw/zinc/48/59/19/445485919.db2.gz NANUQTBGHLEQKO-DOTOQJQBSA-N 2 2 331.460 1.695 20 0 EDADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362669377 445489026 /nfs/dbraw/zinc/48/90/26/445489026.db2.gz IRSDXLMBLRHTRN-OAHLLOKOSA-N 2 2 337.851 1.745 20 0 EDADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362669377 445489029 /nfs/dbraw/zinc/48/90/29/445489029.db2.gz IRSDXLMBLRHTRN-OAHLLOKOSA-N 2 2 337.851 1.745 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2C)CC1 ZINC000349325181 445564105 /nfs/dbraw/zinc/56/41/05/445564105.db2.gz UIRYMGMPXQNRKT-QZTJIDSGSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000349325181 445564114 /nfs/dbraw/zinc/56/41/14/445564114.db2.gz UIRYMGMPXQNRKT-QZTJIDSGSA-N 2 2 344.503 1.528 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOc2cccc(Cl)c2)C1 ZINC000362826638 445567821 /nfs/dbraw/zinc/56/78/21/445567821.db2.gz PENFELIGPIRSGO-HNNXBMFYSA-N 2 2 337.851 1.615 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000362826638 445567825 /nfs/dbraw/zinc/56/78/25/445567825.db2.gz PENFELIGPIRSGO-HNNXBMFYSA-N 2 2 337.851 1.615 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1C ZINC000362837992 445574514 /nfs/dbraw/zinc/57/45/14/445574514.db2.gz AVSLBOVRANBJEM-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1C ZINC000362837992 445574515 /nfs/dbraw/zinc/57/45/15/445574515.db2.gz AVSLBOVRANBJEM-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000362837992 445574520 /nfs/dbraw/zinc/57/45/20/445574520.db2.gz AVSLBOVRANBJEM-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000362837992 445574523 /nfs/dbraw/zinc/57/45/23/445574523.db2.gz AVSLBOVRANBJEM-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP COc1ccc2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)[nH]c2n1 ZINC000353483421 445623834 /nfs/dbraw/zinc/62/38/34/445623834.db2.gz WTPJZROMLDVTLN-UHFFFAOYSA-N 2 2 345.447 1.511 20 0 EDADLP CCC[N@H+](C)CC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000358591906 445664812 /nfs/dbraw/zinc/66/48/12/445664812.db2.gz NHRUYRUDNGTGPR-GOSISDBHSA-N 2 2 333.476 1.826 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000358591906 445664815 /nfs/dbraw/zinc/66/48/15/445664815.db2.gz NHRUYRUDNGTGPR-GOSISDBHSA-N 2 2 333.476 1.826 20 0 EDADLP Cc1cccc(NC2CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC2)[nH+]1 ZINC000363062854 445665142 /nfs/dbraw/zinc/66/51/42/445665142.db2.gz PXZSVIZBCJLGQA-UHFFFAOYSA-N 2 2 347.463 1.891 20 0 EDADLP CCCc1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000363053675 445661778 /nfs/dbraw/zinc/66/17/78/445661778.db2.gz NJHKBSLWDDDWLJ-ZDUSSCGKSA-N 2 2 336.505 1.994 20 0 EDADLP CCCc1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000363053675 445661781 /nfs/dbraw/zinc/66/17/81/445661781.db2.gz NJHKBSLWDDDWLJ-ZDUSSCGKSA-N 2 2 336.505 1.994 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000353652039 445692851 /nfs/dbraw/zinc/69/28/51/445692851.db2.gz QYHMPDYVAPHHIB-ZDUSSCGKSA-N 2 2 349.500 1.877 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000353652039 445692854 /nfs/dbraw/zinc/69/28/54/445692854.db2.gz QYHMPDYVAPHHIB-ZDUSSCGKSA-N 2 2 349.500 1.877 20 0 EDADLP C[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000349862774 445703005 /nfs/dbraw/zinc/70/30/05/445703005.db2.gz YUUBWFSLVHZEEN-MRXNPFEDSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000349862774 445703006 /nfs/dbraw/zinc/70/30/06/445703006.db2.gz YUUBWFSLVHZEEN-MRXNPFEDSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360562702 445714018 /nfs/dbraw/zinc/71/40/18/445714018.db2.gz MZLUNWOWVXEGCH-IFXJQAMLSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360562702 445714022 /nfs/dbraw/zinc/71/40/22/445714022.db2.gz MZLUNWOWVXEGCH-IFXJQAMLSA-N 2 2 345.443 1.860 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)CC(C)C ZINC000349760465 445669984 /nfs/dbraw/zinc/66/99/84/445669984.db2.gz XAMQVWXKOUUEQO-IRXDYDNUSA-N 2 2 341.544 1.288 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)CC(C)C ZINC000349760465 445669990 /nfs/dbraw/zinc/66/99/90/445669990.db2.gz XAMQVWXKOUUEQO-IRXDYDNUSA-N 2 2 341.544 1.288 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000363081175 445669975 /nfs/dbraw/zinc/66/99/75/445669975.db2.gz GGWMUELQPSZIAN-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000363081175 445669980 /nfs/dbraw/zinc/66/99/80/445669980.db2.gz GGWMUELQPSZIAN-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000356337858 445741685 /nfs/dbraw/zinc/74/16/85/445741685.db2.gz CRKRVFNIOQYWTD-OAGGEKHMSA-N 2 2 348.466 1.545 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000363490523 445828761 /nfs/dbraw/zinc/82/87/61/445828761.db2.gz REMWXQUDBAFVTM-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000363351604 445776975 /nfs/dbraw/zinc/77/69/75/445776975.db2.gz GPEJMFUJOQKZRN-IAGOWNOFSA-N 2 2 346.475 1.383 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000358801038 445781729 /nfs/dbraw/zinc/78/17/29/445781729.db2.gz BZINQCZKCUHXGG-ZACQAIPSSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000358801038 445781733 /nfs/dbraw/zinc/78/17/33/445781733.db2.gz BZINQCZKCUHXGG-ZACQAIPSSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC000358801038 445781738 /nfs/dbraw/zinc/78/17/38/445781738.db2.gz BZINQCZKCUHXGG-ZACQAIPSSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC000358801038 445781743 /nfs/dbraw/zinc/78/17/43/445781743.db2.gz BZINQCZKCUHXGG-ZACQAIPSSA-N 2 2 338.496 1.079 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000361491377 445785239 /nfs/dbraw/zinc/78/52/39/445785239.db2.gz XEQHMNQLPLBXHH-GOSISDBHSA-N 2 2 331.460 1.490 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000361491377 445785246 /nfs/dbraw/zinc/78/52/46/445785246.db2.gz XEQHMNQLPLBXHH-GOSISDBHSA-N 2 2 331.460 1.490 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C(C)(C)C[NH+](C)C ZINC000358820898 445792398 /nfs/dbraw/zinc/79/23/98/445792398.db2.gz HEQXHLSXVJQMRX-KGLIPLIRSA-N 2 2 349.479 1.556 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)C(=O)NC(C)(C)CC)CC1 ZINC000350683148 445879016 /nfs/dbraw/zinc/87/90/16/445879016.db2.gz RUDDCLWPVJPSTB-HNNXBMFYSA-N 2 2 340.512 1.166 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](CO)CCC(C)(C)C)CC1 ZINC000354076344 445889229 /nfs/dbraw/zinc/88/92/29/445889229.db2.gz UALXLGRYFAKPRB-HNNXBMFYSA-N 2 2 342.528 1.499 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000372937019 445930876 /nfs/dbraw/zinc/93/08/76/445930876.db2.gz ZUWRJHMHKSVYCC-UHFFFAOYSA-N 2 2 333.480 1.205 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000356678327 445933598 /nfs/dbraw/zinc/93/35/98/445933598.db2.gz AQTXLRLFOMRGNH-ROUUACIJSA-N 2 2 345.487 1.913 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000356678327 445933603 /nfs/dbraw/zinc/93/36/03/445933603.db2.gz AQTXLRLFOMRGNH-ROUUACIJSA-N 2 2 345.487 1.913 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000356678327 445933607 /nfs/dbraw/zinc/93/36/07/445933607.db2.gz AQTXLRLFOMRGNH-ROUUACIJSA-N 2 2 345.487 1.913 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000356678327 445933611 /nfs/dbraw/zinc/93/36/11/445933611.db2.gz AQTXLRLFOMRGNH-ROUUACIJSA-N 2 2 345.487 1.913 20 0 EDADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000361710209 445892676 /nfs/dbraw/zinc/89/26/76/445892676.db2.gz GAGUBECIQYOQHW-MQVJKMGUSA-N 2 2 347.463 1.075 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000365915523 445904195 /nfs/dbraw/zinc/90/41/95/445904195.db2.gz LSLHGHCVLCKCHK-UHFFFAOYSA-N 2 2 337.489 1.869 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000359050978 445911530 /nfs/dbraw/zinc/91/15/30/445911530.db2.gz YVVOWEJKUCRDTQ-QGZVFWFLSA-N 2 2 345.491 1.194 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000364849043 445963350 /nfs/dbraw/zinc/96/33/50/445963350.db2.gz DUAJRGTTZCSXET-WMZOPIPTSA-N 2 2 335.423 1.186 20 0 EDADLP COc1cc2[nH+]c(N3CC[NH+]4CCC3CC4)nc(N)c2cc1OC ZINC000364977580 445971314 /nfs/dbraw/zinc/97/13/14/445971314.db2.gz GFFKBXGJPXAFOH-UHFFFAOYSA-N 2 2 329.404 1.514 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000351027022 445973882 /nfs/dbraw/zinc/97/38/82/445973882.db2.gz ICTUTMMXCOZMGZ-GOSISDBHSA-N 2 2 337.508 1.822 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000351027022 445973885 /nfs/dbraw/zinc/97/38/85/445973885.db2.gz ICTUTMMXCOZMGZ-GOSISDBHSA-N 2 2 337.508 1.822 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000351027022 445973887 /nfs/dbraw/zinc/97/38/87/445973887.db2.gz ICTUTMMXCOZMGZ-GOSISDBHSA-N 2 2 337.508 1.822 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000351027022 445973890 /nfs/dbraw/zinc/97/38/90/445973890.db2.gz ICTUTMMXCOZMGZ-GOSISDBHSA-N 2 2 337.508 1.822 20 0 EDADLP C[C@@H](CNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1)C[NH+]1CCCC1 ZINC000364709532 445948508 /nfs/dbraw/zinc/94/85/08/445948508.db2.gz WDZNBIUVWIEFST-JKSUJKDBSA-N 2 2 333.480 1.819 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[C@@H](C)[NH+]1CCO ZINC000366117783 446024082 /nfs/dbraw/zinc/02/40/82/446024082.db2.gz IHWUOMGCOPXBLG-RKVPGOIHSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H](C)[NH+]1CCO ZINC000366117783 446024088 /nfs/dbraw/zinc/02/40/88/446024088.db2.gz IHWUOMGCOPXBLG-RKVPGOIHSA-N 2 2 346.475 1.270 20 0 EDADLP COCc1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000369273604 446037302 /nfs/dbraw/zinc/03/73/02/446037302.db2.gz HWSSWWIKFWUWIN-GFCCVEGCSA-N 2 2 338.477 1.188 20 0 EDADLP COCc1nc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000369273604 446037306 /nfs/dbraw/zinc/03/73/06/446037306.db2.gz HWSSWWIKFWUWIN-GFCCVEGCSA-N 2 2 338.477 1.188 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(F)cc3)C2)CC1 ZINC000369279539 446044510 /nfs/dbraw/zinc/04/45/10/446044510.db2.gz XVZTUKVOOPTXRN-HNNXBMFYSA-N 2 2 335.423 1.489 20 0 EDADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859123 446012752 /nfs/dbraw/zinc/01/27/52/446012752.db2.gz AEGSYFMXIRVOEP-KRWDZBQOSA-N 2 2 348.472 1.694 20 0 EDADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361859123 446012757 /nfs/dbraw/zinc/01/27/57/446012757.db2.gz AEGSYFMXIRVOEP-KRWDZBQOSA-N 2 2 348.472 1.694 20 0 EDADLP O=S1(=O)CCCN1[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000366104294 446014770 /nfs/dbraw/zinc/01/47/70/446014770.db2.gz PDTNCDRMCSJSRD-MRXNPFEDSA-N 2 2 329.510 1.362 20 0 EDADLP O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000366104294 446014778 /nfs/dbraw/zinc/01/47/78/446014778.db2.gz PDTNCDRMCSJSRD-MRXNPFEDSA-N 2 2 329.510 1.362 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000583129100 326006710 /nfs/dbraw/zinc/00/67/10/326006710.db2.gz UEKCRVPZQQOIAX-QGZVFWFLSA-N 2 2 339.528 1.140 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000583129100 326006713 /nfs/dbraw/zinc/00/67/13/326006713.db2.gz UEKCRVPZQQOIAX-QGZVFWFLSA-N 2 2 339.528 1.140 20 0 EDADLP CC(C)(C)c1cccc(OCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000583274314 326040368 /nfs/dbraw/zinc/04/03/68/326040368.db2.gz WOZHRHAXVNWXGS-NVXWUHKLSA-N 2 2 331.460 1.607 20 0 EDADLP CC(C)(C)c1cccc(OCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000583274314 326040369 /nfs/dbraw/zinc/04/03/69/326040369.db2.gz WOZHRHAXVNWXGS-NVXWUHKLSA-N 2 2 331.460 1.607 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000583388534 326064049 /nfs/dbraw/zinc/06/40/49/326064049.db2.gz MJINEDUKHXNQFZ-OCCSQVGLSA-N 2 2 333.329 1.810 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000583388534 326064051 /nfs/dbraw/zinc/06/40/51/326064051.db2.gz MJINEDUKHXNQFZ-OCCSQVGLSA-N 2 2 333.329 1.810 20 0 EDADLP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CCS(=O)(=O)C3)CC2)C[C@@H](C)O1 ZINC000365141403 446049457 /nfs/dbraw/zinc/04/94/57/446049457.db2.gz YQQKEDVZYLUUGZ-BFYDXBDKSA-N 2 2 344.521 1.242 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000583914971 326163475 /nfs/dbraw/zinc/16/34/75/326163475.db2.gz CYSNEOVUMQGBMV-CVEARBPZSA-N 2 2 349.479 1.718 20 0 EDADLP Cc1cc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(C)c1Cl ZINC000583933447 326168332 /nfs/dbraw/zinc/16/83/32/326168332.db2.gz WGEQEWADAAIEFB-CYBMUJFWSA-N 2 2 325.840 1.437 20 0 EDADLP Cc1cc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc(C)c1Cl ZINC000583933447 326168335 /nfs/dbraw/zinc/16/83/35/326168335.db2.gz WGEQEWADAAIEFB-CYBMUJFWSA-N 2 2 325.840 1.437 20 0 EDADLP O=C(COC1CC[NH2+]CC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000583936886 326169656 /nfs/dbraw/zinc/16/96/56/326169656.db2.gz RIMFMZGWODWLBE-UHFFFAOYSA-N 2 2 333.432 1.226 20 0 EDADLP C[C@@H](C[NH+](C)C)[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000584048948 326189759 /nfs/dbraw/zinc/18/97/59/326189759.db2.gz QJNSBZQQRNIRNN-AWEZNQCLSA-N 2 2 332.448 1.682 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000584108116 326200571 /nfs/dbraw/zinc/20/05/71/326200571.db2.gz NFAHMKXCBPGHCR-IBGZPJMESA-N 3 2 333.476 1.064 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000584142892 326206796 /nfs/dbraw/zinc/20/67/96/326206796.db2.gz YDQCUVJVJZSHTQ-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000584142892 326206797 /nfs/dbraw/zinc/20/67/97/326206797.db2.gz YDQCUVJVJZSHTQ-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000584142892 326206798 /nfs/dbraw/zinc/20/67/98/326206798.db2.gz YDQCUVJVJZSHTQ-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000584142892 326206799 /nfs/dbraw/zinc/20/67/99/326206799.db2.gz YDQCUVJVJZSHTQ-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP CCc1nc(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000584227046 326223395 /nfs/dbraw/zinc/22/33/95/326223395.db2.gz CQEAVVRIVWXBRZ-GUTXKFCHSA-N 2 2 327.494 1.308 20 0 EDADLP CCc1nc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000584227046 326223397 /nfs/dbraw/zinc/22/33/97/326223397.db2.gz CQEAVVRIVWXBRZ-GUTXKFCHSA-N 2 2 327.494 1.308 20 0 EDADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000356854652 446072039 /nfs/dbraw/zinc/07/20/39/446072039.db2.gz UTUBWPIOYIJOGD-OKZBNKHCSA-N 2 2 339.524 1.970 20 0 EDADLP CC(C)C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000365208517 446080051 /nfs/dbraw/zinc/08/00/51/446080051.db2.gz ZNEKXFPVMVSKRV-HNNXBMFYSA-N 2 2 333.480 1.079 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000351482350 446082895 /nfs/dbraw/zinc/08/28/95/446082895.db2.gz JOZNCCMECUONRD-ZDUSSCGKSA-N 2 2 333.432 1.409 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000351482350 446082898 /nfs/dbraw/zinc/08/28/98/446082898.db2.gz JOZNCCMECUONRD-ZDUSSCGKSA-N 2 2 333.432 1.409 20 0 EDADLP CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(C)C ZINC000356927576 446131954 /nfs/dbraw/zinc/13/19/54/446131954.db2.gz UKKFOTYIQOAKCM-YJBOKZPZSA-N 2 2 332.448 1.545 20 0 EDADLP CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C(C)C ZINC000356927576 446131959 /nfs/dbraw/zinc/13/19/59/446131959.db2.gz UKKFOTYIQOAKCM-YJBOKZPZSA-N 2 2 332.448 1.545 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351488835 446089924 /nfs/dbraw/zinc/08/99/24/446089924.db2.gz GFYCVLKLUPRWQG-XIRDDKMYSA-N 2 2 333.501 1.872 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351488835 446089927 /nfs/dbraw/zinc/08/99/27/446089927.db2.gz GFYCVLKLUPRWQG-XIRDDKMYSA-N 2 2 333.501 1.872 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)CC1 ZINC000373207775 446097890 /nfs/dbraw/zinc/09/78/90/446097890.db2.gz YOGVBYFKPDEAMG-DNVCBOLYSA-N 2 2 349.450 1.272 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)CC1 ZINC000373207775 446097897 /nfs/dbraw/zinc/09/78/97/446097897.db2.gz YOGVBYFKPDEAMG-DNVCBOLYSA-N 2 2 349.450 1.272 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365248000 446099273 /nfs/dbraw/zinc/09/92/73/446099273.db2.gz UHRYLSCQTMGQQC-CJNGLKHVSA-N 2 2 331.464 1.844 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365248000 446099278 /nfs/dbraw/zinc/09/92/78/446099278.db2.gz UHRYLSCQTMGQQC-CJNGLKHVSA-N 2 2 331.464 1.844 20 0 EDADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C(C)C ZINC000369360367 446101421 /nfs/dbraw/zinc/10/14/21/446101421.db2.gz WIWQIKXNLSOZAO-MSOLQXFVSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)C ZINC000369360367 446101425 /nfs/dbraw/zinc/10/14/25/446101425.db2.gz WIWQIKXNLSOZAO-MSOLQXFVSA-N 2 2 338.540 1.732 20 0 EDADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359282052 446117749 /nfs/dbraw/zinc/11/77/49/446117749.db2.gz SHLLMQPJKBDNQL-LZQZEXGQSA-N 2 2 327.472 1.965 20 0 EDADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359282052 446117754 /nfs/dbraw/zinc/11/77/54/446117754.db2.gz SHLLMQPJKBDNQL-LZQZEXGQSA-N 2 2 327.472 1.965 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365276422 446119734 /nfs/dbraw/zinc/11/97/34/446119734.db2.gz RJGDACUGWGTGDD-XJKSGUPXSA-N 2 2 333.484 1.169 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365276422 446119739 /nfs/dbraw/zinc/11/97/39/446119739.db2.gz RJGDACUGWGTGDD-XJKSGUPXSA-N 2 2 333.484 1.169 20 0 EDADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000373317170 446161844 /nfs/dbraw/zinc/16/18/44/446161844.db2.gz LIONTZJMOBGFKO-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369789974 446155609 /nfs/dbraw/zinc/15/56/09/446155609.db2.gz JYNMFNOUSLZVHS-HYVNUMGLSA-N 2 2 338.496 1.412 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369789974 446155616 /nfs/dbraw/zinc/15/56/16/446155616.db2.gz JYNMFNOUSLZVHS-HYVNUMGLSA-N 2 2 338.496 1.412 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000366438979 446213917 /nfs/dbraw/zinc/21/39/17/446213917.db2.gz NRJGFOBUEZIVJT-HNNXBMFYSA-N 2 2 349.479 1.249 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000366438979 446213921 /nfs/dbraw/zinc/21/39/21/446213921.db2.gz NRJGFOBUEZIVJT-HNNXBMFYSA-N 2 2 349.479 1.249 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2nnnn2CC2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000365454581 446214140 /nfs/dbraw/zinc/21/41/40/446214140.db2.gz BEZPINGNUQVKCL-GDBMZVCRSA-N 2 2 345.451 1.379 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2nnnn2CC2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000365454581 446214146 /nfs/dbraw/zinc/21/41/46/446214146.db2.gz BEZPINGNUQVKCL-GDBMZVCRSA-N 2 2 345.451 1.379 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000365459144 446218694 /nfs/dbraw/zinc/21/86/94/446218694.db2.gz LRGNLLGPXCCZQY-HOTGVXAUSA-N 2 2 349.479 1.561 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CCCO1 ZINC000365459144 446218701 /nfs/dbraw/zinc/21/87/01/446218701.db2.gz LRGNLLGPXCCZQY-HOTGVXAUSA-N 2 2 349.479 1.561 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000373465377 446226125 /nfs/dbraw/zinc/22/61/25/446226125.db2.gz KTWYBGDENXKDLY-UHFFFAOYSA-N 2 2 334.464 1.314 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@H]1CCCn2cc[nH+]c21)[NH+]1CCOCC1 ZINC000366492495 446236738 /nfs/dbraw/zinc/23/67/38/446236738.db2.gz GJYVIGCMHKKGED-HZPDHXFCSA-N 2 2 349.479 1.417 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCN(C)c1ccccc1 ZINC000370347457 446239384 /nfs/dbraw/zinc/23/93/84/446239384.db2.gz SYJIUTAIGSORKR-UYAOXDASSA-N 2 2 346.519 1.460 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCN(C)c1ccccc1 ZINC000370347457 446239386 /nfs/dbraw/zinc/23/93/86/446239386.db2.gz SYJIUTAIGSORKR-UYAOXDASSA-N 2 2 346.519 1.460 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCN(C)c1ccccc1 ZINC000370347457 446239391 /nfs/dbraw/zinc/23/93/91/446239391.db2.gz SYJIUTAIGSORKR-UYAOXDASSA-N 2 2 346.519 1.460 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000362186952 446252039 /nfs/dbraw/zinc/25/20/39/446252039.db2.gz ORXMIIGMSVIAEQ-HNNXBMFYSA-N 2 2 327.469 1.106 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)CC1 ZINC000362186952 446252043 /nfs/dbraw/zinc/25/20/43/446252043.db2.gz ORXMIIGMSVIAEQ-HNNXBMFYSA-N 2 2 327.469 1.106 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1ncnc2c1C[N@H+](C)CC2 ZINC000366577720 446266379 /nfs/dbraw/zinc/26/63/79/446266379.db2.gz VIOLFHYFJAHVIS-UHFFFAOYSA-N 2 2 333.480 1.259 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1ncnc2c1C[N@@H+](C)CC2 ZINC000366577720 446266383 /nfs/dbraw/zinc/26/63/83/446266383.db2.gz VIOLFHYFJAHVIS-UHFFFAOYSA-N 2 2 333.480 1.259 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000366613369 446280855 /nfs/dbraw/zinc/28/08/55/446280855.db2.gz YTRKBKDWWFNNEV-XHSDSOJGSA-N 2 2 330.432 1.716 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000366613369 446280857 /nfs/dbraw/zinc/28/08/57/446280857.db2.gz YTRKBKDWWFNNEV-XHSDSOJGSA-N 2 2 330.432 1.716 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCSC(C)(C)C ZINC000370508388 446311218 /nfs/dbraw/zinc/31/12/18/446311218.db2.gz ONAVNKGIUBLTMQ-HZPDHXFCSA-N 2 2 329.554 1.855 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCSC(C)(C)C ZINC000370508388 446311220 /nfs/dbraw/zinc/31/12/20/446311220.db2.gz ONAVNKGIUBLTMQ-HZPDHXFCSA-N 2 2 329.554 1.855 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCSC(C)(C)C ZINC000370508388 446311221 /nfs/dbraw/zinc/31/12/21/446311221.db2.gz ONAVNKGIUBLTMQ-HZPDHXFCSA-N 2 2 329.554 1.855 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCSC(C)(C)C ZINC000370508388 446311222 /nfs/dbraw/zinc/31/12/22/446311222.db2.gz ONAVNKGIUBLTMQ-HZPDHXFCSA-N 2 2 329.554 1.855 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000373743917 446321557 /nfs/dbraw/zinc/32/15/57/446321557.db2.gz YERZHWOISSPCIA-UHFFFAOYSA-N 2 2 338.540 1.737 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000417543535 446363865 /nfs/dbraw/zinc/36/38/65/446363865.db2.gz LJFYWQXMAQTISI-QAPCUYQASA-N 2 2 347.507 1.184 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370650878 446373408 /nfs/dbraw/zinc/37/34/08/446373408.db2.gz GSGAMBAQWNAQOE-LTIDMASMSA-N 2 2 325.497 1.722 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370650878 446373410 /nfs/dbraw/zinc/37/34/10/446373410.db2.gz GSGAMBAQWNAQOE-LTIDMASMSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC000423120122 446429268 /nfs/dbraw/zinc/42/92/68/446429268.db2.gz GLKGFWXBQGRUPB-BFYDXBDKSA-N 2 2 335.448 1.354 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@H]3CC[NH2+]CC3(F)F)[nH+]cn2)C1 ZINC000420273747 446443074 /nfs/dbraw/zinc/44/30/74/446443074.db2.gz FGSDCGLEFAAKAC-QWHCGFSZSA-N 2 2 341.406 1.342 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@H]3CC[NH2+]CC3(F)F)nc[nH+]2)C1 ZINC000420273747 446443081 /nfs/dbraw/zinc/44/30/81/446443081.db2.gz FGSDCGLEFAAKAC-QWHCGFSZSA-N 2 2 341.406 1.342 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000420282682 446449855 /nfs/dbraw/zinc/44/98/55/446449855.db2.gz BAEUMHJHUBFLKO-ROUUACIJSA-N 3 2 334.508 1.711 20 0 EDADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000423218055 446456862 /nfs/dbraw/zinc/45/68/62/446456862.db2.gz RGGYPUAMXGRKTO-KGLIPLIRSA-N 2 2 333.436 1.051 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000420299677 446462136 /nfs/dbraw/zinc/46/21/36/446462136.db2.gz BGHLSRNXAZDQDF-GOSISDBHSA-N 2 2 331.460 1.490 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367020448 446468363 /nfs/dbraw/zinc/46/83/63/446468363.db2.gz NLSSRYDKXGMVNP-IAGOWNOFSA-N 2 2 338.540 1.497 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367020448 446468369 /nfs/dbraw/zinc/46/83/69/446468369.db2.gz NLSSRYDKXGMVNP-IAGOWNOFSA-N 2 2 338.540 1.497 20 0 EDADLP CN(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000370839116 446473318 /nfs/dbraw/zinc/47/33/18/446473318.db2.gz HNYSIWPSUXHAQQ-QGZVFWFLSA-N 2 2 345.491 1.388 20 0 EDADLP CN(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000370839116 446473326 /nfs/dbraw/zinc/47/33/26/446473326.db2.gz HNYSIWPSUXHAQQ-QGZVFWFLSA-N 2 2 345.491 1.388 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)cn2)CC1 ZINC000367038487 446480677 /nfs/dbraw/zinc/48/06/77/446480677.db2.gz YQABNYFLHRUBNZ-IAGOWNOFSA-N 2 2 345.491 1.760 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC(C)(C)O[C@@H]4CCC[C@H]43)cn2)CC1 ZINC000367038487 446480679 /nfs/dbraw/zinc/48/06/79/446480679.db2.gz YQABNYFLHRUBNZ-IAGOWNOFSA-N 2 2 345.491 1.760 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000420323679 446489516 /nfs/dbraw/zinc/48/95/16/446489516.db2.gz GSEJKXQVYBBNEC-INIZCTEOSA-N 2 2 331.460 1.929 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000420323679 446489519 /nfs/dbraw/zinc/48/95/19/446489519.db2.gz GSEJKXQVYBBNEC-INIZCTEOSA-N 2 2 331.460 1.929 20 0 EDADLP CCc1csc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000374971934 446490297 /nfs/dbraw/zinc/49/02/97/446490297.db2.gz YCZJOBZEPYGSNY-AWEZNQCLSA-N 2 2 336.505 1.533 20 0 EDADLP CCc1csc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000374971934 446490301 /nfs/dbraw/zinc/49/03/01/446490301.db2.gz YCZJOBZEPYGSNY-AWEZNQCLSA-N 2 2 336.505 1.533 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(F)c1 ZINC000420326207 446493342 /nfs/dbraw/zinc/49/33/42/446493342.db2.gz JOPLOMIROYUVKE-CQSZACIVSA-N 2 2 335.423 1.760 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(F)c1 ZINC000420326207 446493349 /nfs/dbraw/zinc/49/33/49/446493349.db2.gz JOPLOMIROYUVKE-CQSZACIVSA-N 2 2 335.423 1.760 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)n2c1 ZINC000370894540 446503702 /nfs/dbraw/zinc/50/37/02/446503702.db2.gz BXZWPNDHFNPTKA-FZKQIMNGSA-N 2 2 341.415 1.453 20 0 EDADLP CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420336753 446506191 /nfs/dbraw/zinc/50/61/91/446506191.db2.gz WGMARYAJRHRHAR-HNNXBMFYSA-N 2 2 347.459 1.711 20 0 EDADLP CCOc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420336753 446506197 /nfs/dbraw/zinc/50/61/97/446506197.db2.gz WGMARYAJRHRHAR-HNNXBMFYSA-N 2 2 347.459 1.711 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423386831 446511648 /nfs/dbraw/zinc/51/16/48/446511648.db2.gz RSHSDVDWWDEEAF-WOSRLPQWSA-N 2 2 325.478 1.728 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423351581 446497939 /nfs/dbraw/zinc/49/79/39/446497939.db2.gz ZFRRFYJOVURPIO-OAHLLOKOSA-N 2 2 328.420 1.435 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c(C)[nH+]1 ZINC000411334339 446498220 /nfs/dbraw/zinc/49/82/20/446498220.db2.gz YKMRBTYEQQBWGD-AWEZNQCLSA-N 2 2 341.415 1.695 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)ccn1 ZINC000375066648 446558565 /nfs/dbraw/zinc/55/85/65/446558565.db2.gz SJOYFKKSTUEGGO-AWEZNQCLSA-N 2 2 329.404 1.722 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)C2([NH+]3CCOCC3)CCC2)([NH+](C)C)C1 ZINC000367535647 446558830 /nfs/dbraw/zinc/55/88/30/446558830.db2.gz KFXXUAMIFYMISR-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CC1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC[NH2+]CC1 ZINC000423517618 446559444 /nfs/dbraw/zinc/55/94/44/446559444.db2.gz YJWAQRKLXPGGCQ-UHFFFAOYSA-N 2 2 326.444 1.980 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000433348200 446560045 /nfs/dbraw/zinc/56/00/45/446560045.db2.gz SUZGIPAASDHNMF-WBVHZDCISA-N 2 2 347.463 1.591 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000433348200 446560054 /nfs/dbraw/zinc/56/00/54/446560054.db2.gz SUZGIPAASDHNMF-WBVHZDCISA-N 2 2 347.463 1.591 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000418486575 446562222 /nfs/dbraw/zinc/56/22/22/446562222.db2.gz IKFUGKCETOLLOL-LSDHHAIUSA-N 2 2 334.464 1.568 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000420390416 446565501 /nfs/dbraw/zinc/56/55/01/446565501.db2.gz NFNQKKWIAYVSRF-HEHGZKQESA-N 2 2 339.867 1.955 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000420390416 446565508 /nfs/dbraw/zinc/56/55/08/446565508.db2.gz NFNQKKWIAYVSRF-HEHGZKQESA-N 2 2 339.867 1.955 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420393992 446568575 /nfs/dbraw/zinc/56/85/75/446568575.db2.gz CGXKMILCQDSURZ-CVEARBPZSA-N 2 2 347.459 1.499 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420393992 446568582 /nfs/dbraw/zinc/56/85/82/446568582.db2.gz CGXKMILCQDSURZ-CVEARBPZSA-N 2 2 347.459 1.499 20 0 EDADLP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC[NH2+]CC1 ZINC000423404077 446519882 /nfs/dbraw/zinc/51/98/82/446519882.db2.gz IIAQGRNSWYVCJN-MJGOQNOKSA-N 3 2 346.519 1.898 20 0 EDADLP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC[NH2+]CC1 ZINC000423404077 446519889 /nfs/dbraw/zinc/51/98/89/446519889.db2.gz IIAQGRNSWYVCJN-MJGOQNOKSA-N 3 2 346.519 1.898 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000418382317 446522820 /nfs/dbraw/zinc/52/28/20/446522820.db2.gz IKXUSDRFPFCLSE-HNNXBMFYSA-N 2 2 334.464 1.378 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C2)c1 ZINC000376487863 446529610 /nfs/dbraw/zinc/52/96/10/446529610.db2.gz YFOLXIRUIDCMMG-CQSZACIVSA-N 2 2 347.463 1.748 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C2)c1 ZINC000376487863 446529620 /nfs/dbraw/zinc/52/96/20/446529620.db2.gz YFOLXIRUIDCMMG-CQSZACIVSA-N 2 2 347.463 1.748 20 0 EDADLP COCCOc1ccc(CNC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420355510 446534895 /nfs/dbraw/zinc/53/48/95/446534895.db2.gz BYQXBNSGPCVFLS-YZVOILCLSA-N 2 2 349.475 1.304 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420356830 446538775 /nfs/dbraw/zinc/53/87/75/446538775.db2.gz GSALFAVUCCLRJA-HNNXBMFYSA-N 3 2 338.521 1.355 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420363814 446544380 /nfs/dbraw/zinc/54/43/80/446544380.db2.gz JUZYUBXMEXROIH-XHBSWPGZSA-N 2 2 334.420 1.319 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)Cc2cnccn2)nc[nH+]1 ZINC000453161807 446549440 /nfs/dbraw/zinc/54/94/40/446549440.db2.gz QPLMUNCGMHZVLB-UKRRQHHQSA-N 2 2 327.436 1.498 20 0 EDADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000423516047 446557695 /nfs/dbraw/zinc/55/76/95/446557695.db2.gz NIKIECBXVHTTNY-YOEHRIQHSA-N 2 2 333.480 1.771 20 0 EDADLP C[C@H]1CC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@@H]1C[NH3+] ZINC000420397006 446570588 /nfs/dbraw/zinc/57/05/88/446570588.db2.gz FSJXZDGCNFXMAD-AAEUAGOBSA-N 2 2 330.388 1.882 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@@H]1C[NH3+] ZINC000420397006 446570591 /nfs/dbraw/zinc/57/05/91/446570591.db2.gz FSJXZDGCNFXMAD-AAEUAGOBSA-N 2 2 330.388 1.882 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1c1ccccc1 ZINC000423604545 446600022 /nfs/dbraw/zinc/60/00/22/446600022.db2.gz GIPZUCPAEMQRLP-OTWHNJEPSA-N 2 2 343.471 1.583 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCC[NH2+][C@H]1C)CC2 ZINC000423606869 446600829 /nfs/dbraw/zinc/60/08/29/446600829.db2.gz KLFGZIZBMQTREX-XJKSGUPXSA-N 2 2 347.459 1.319 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCC[NH2+][C@H]1C)CC2 ZINC000423606869 446600838 /nfs/dbraw/zinc/60/08/38/446600838.db2.gz KLFGZIZBMQTREX-XJKSGUPXSA-N 2 2 347.459 1.319 20 0 EDADLP CC(C)[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@@H+]1C ZINC000433811824 446600950 /nfs/dbraw/zinc/60/09/50/446600950.db2.gz SPHQWSDDQHVDJA-HOTGVXAUSA-N 2 2 333.480 1.604 20 0 EDADLP CC(C)[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[N@H+]1C ZINC000433811824 446600958 /nfs/dbraw/zinc/60/09/58/446600958.db2.gz SPHQWSDDQHVDJA-HOTGVXAUSA-N 2 2 333.480 1.604 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCOCC3)CC2)cc1 ZINC000376614950 446606232 /nfs/dbraw/zinc/60/62/32/446606232.db2.gz BZLZDZXQKBEHBQ-UHFFFAOYSA-N 2 2 345.487 1.752 20 0 EDADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCOCC3)CC2)cc1 ZINC000376614950 446606236 /nfs/dbraw/zinc/60/62/36/446606236.db2.gz BZLZDZXQKBEHBQ-UHFFFAOYSA-N 2 2 345.487 1.752 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCOCC3)CC2)cc1 ZINC000376614950 446606239 /nfs/dbraw/zinc/60/62/39/446606239.db2.gz BZLZDZXQKBEHBQ-UHFFFAOYSA-N 2 2 345.487 1.752 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCOCC3)CC2)cc1 ZINC000376614950 446606244 /nfs/dbraw/zinc/60/62/44/446606244.db2.gz BZLZDZXQKBEHBQ-UHFFFAOYSA-N 2 2 345.487 1.752 20 0 EDADLP Cc1cn[nH]c1C[NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000368093480 446637715 /nfs/dbraw/zinc/63/77/15/446637715.db2.gz RNNRLQFKUUCCSO-UHFFFAOYSA-N 2 2 331.468 1.192 20 0 EDADLP Cc1cn[nH]c1C[NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000368093480 446637719 /nfs/dbraw/zinc/63/77/19/446637719.db2.gz RNNRLQFKUUCCSO-UHFFFAOYSA-N 2 2 331.468 1.192 20 0 EDADLP Cc1c[nH]nc1C[NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000368093480 446637724 /nfs/dbraw/zinc/63/77/24/446637724.db2.gz RNNRLQFKUUCCSO-UHFFFAOYSA-N 2 2 331.468 1.192 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423701565 446648616 /nfs/dbraw/zinc/64/86/16/446648616.db2.gz WEHODZGEZVCCJZ-OAHLLOKOSA-N 2 2 334.370 1.587 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418689473 446648588 /nfs/dbraw/zinc/64/85/88/446648588.db2.gz BYXBKEOOGVQMKQ-SOUVJXGZSA-N 2 2 347.463 1.580 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3cccc(F)c3F)CC2)CC1 ZINC000375223975 446654259 /nfs/dbraw/zinc/65/42/59/446654259.db2.gz IAVOIVTYUYNIOR-UHFFFAOYSA-N 2 2 337.414 1.918 20 0 EDADLP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000423716347 446657035 /nfs/dbraw/zinc/65/70/35/446657035.db2.gz WXPZXDCKTSSBMC-HNNXBMFYSA-N 2 2 337.851 1.363 20 0 EDADLP [NH3+]C[C@H](C(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000423748296 446677688 /nfs/dbraw/zinc/67/76/88/446677688.db2.gz UFVNBENUXFYSAC-KRWDZBQOSA-N 2 2 344.484 1.920 20 0 EDADLP [NH3+]C[C@H](C(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000423748296 446677693 /nfs/dbraw/zinc/67/76/93/446677693.db2.gz UFVNBENUXFYSAC-KRWDZBQOSA-N 2 2 344.484 1.920 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000371089789 446621573 /nfs/dbraw/zinc/62/15/73/446621573.db2.gz VBCSDMGUYSUGLR-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000371089789 446621581 /nfs/dbraw/zinc/62/15/81/446621581.db2.gz VBCSDMGUYSUGLR-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000371089789 446621586 /nfs/dbraw/zinc/62/15/86/446621586.db2.gz VBCSDMGUYSUGLR-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000371089789 446621591 /nfs/dbraw/zinc/62/15/91/446621591.db2.gz VBCSDMGUYSUGLR-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c(C)[nH+]1 ZINC000411602986 446622649 /nfs/dbraw/zinc/62/26/49/446622649.db2.gz KNOXUIZCGDQONF-UHFFFAOYSA-N 2 2 332.448 1.936 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)c(C)[nH+]1 ZINC000411602986 446622658 /nfs/dbraw/zinc/62/26/58/446622658.db2.gz KNOXUIZCGDQONF-UHFFFAOYSA-N 2 2 332.448 1.936 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000368048523 446623349 /nfs/dbraw/zinc/62/33/49/446623349.db2.gz YIYJSHXMPZDACP-IRXDYDNUSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000368048523 446623354 /nfs/dbraw/zinc/62/33/54/446623354.db2.gz YIYJSHXMPZDACP-IRXDYDNUSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000368048523 446623359 /nfs/dbraw/zinc/62/33/59/446623359.db2.gz YIYJSHXMPZDACP-IRXDYDNUSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000368048523 446623368 /nfs/dbraw/zinc/62/33/68/446623368.db2.gz YIYJSHXMPZDACP-IRXDYDNUSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418635373 446626682 /nfs/dbraw/zinc/62/66/82/446626682.db2.gz GVVSYUHHZOXIQF-UHFFFAOYSA-N 2 2 346.450 1.963 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418653351 446634111 /nfs/dbraw/zinc/63/41/11/446634111.db2.gz OHDOGWBQNZLCFH-KRWDZBQOSA-N 2 2 334.464 1.222 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418771215 446689398 /nfs/dbraw/zinc/68/93/98/446689398.db2.gz TXCRFDPIMNAHED-CYBMUJFWSA-N 2 2 343.422 1.864 20 0 EDADLP C[C@H]([C@H](C)Nc1nc(N[C@H]2CCCOC2)cc[nH+]1)[NH+]1CCOCC1 ZINC000435348685 446694115 /nfs/dbraw/zinc/69/41/15/446694115.db2.gz DIYBRUWWQKRXBT-ZNMIVQPWSA-N 2 2 335.452 1.589 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000423810723 446699942 /nfs/dbraw/zinc/69/99/42/446699942.db2.gz BDUOQXXYNJAQQM-DYEKYZERSA-N 2 2 333.329 1.809 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1c1ccc(F)c(F)c1 ZINC000423810723 446699947 /nfs/dbraw/zinc/69/99/47/446699947.db2.gz BDUOQXXYNJAQQM-DYEKYZERSA-N 2 2 333.329 1.809 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000368195184 446700036 /nfs/dbraw/zinc/70/00/36/446700036.db2.gz UYECRMFPXARPTI-VYDXJSESSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000368195184 446700044 /nfs/dbraw/zinc/70/00/44/446700044.db2.gz UYECRMFPXARPTI-VYDXJSESSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368195184 446700052 /nfs/dbraw/zinc/70/00/52/446700052.db2.gz UYECRMFPXARPTI-VYDXJSESSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368195184 446700060 /nfs/dbraw/zinc/70/00/60/446700060.db2.gz UYECRMFPXARPTI-VYDXJSESSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000368195183 446700938 /nfs/dbraw/zinc/70/09/38/446700938.db2.gz UYECRMFPXARPTI-INMHGKMJSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000368195183 446700943 /nfs/dbraw/zinc/70/09/43/446700943.db2.gz UYECRMFPXARPTI-INMHGKMJSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368195183 446700950 /nfs/dbraw/zinc/70/09/50/446700950.db2.gz UYECRMFPXARPTI-INMHGKMJSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368195183 446700953 /nfs/dbraw/zinc/70/09/53/446700953.db2.gz UYECRMFPXARPTI-INMHGKMJSA-N 2 2 338.496 1.269 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423831775 446721397 /nfs/dbraw/zinc/72/13/97/446721397.db2.gz RFCPAYROSZVLDA-DZGCQCFKSA-N 2 2 341.377 1.965 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423831775 446721401 /nfs/dbraw/zinc/72/14/01/446721401.db2.gz RFCPAYROSZVLDA-DZGCQCFKSA-N 2 2 341.377 1.965 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C[NH3+])OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423837747 446726102 /nfs/dbraw/zinc/72/61/02/446726102.db2.gz XCBJMUWPFPCTQX-GZBFAFLISA-N 2 2 345.365 1.329 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C[NH3+])OC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423837747 446726107 /nfs/dbraw/zinc/72/61/07/446726107.db2.gz XCBJMUWPFPCTQX-GZBFAFLISA-N 2 2 345.365 1.329 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371189468 446682016 /nfs/dbraw/zinc/68/20/16/446682016.db2.gz SWOHYSPWEXVEAW-KURKYZTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371189468 446682025 /nfs/dbraw/zinc/68/20/25/446682025.db2.gz SWOHYSPWEXVEAW-KURKYZTESA-N 2 2 337.508 1.868 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000371287843 446747056 /nfs/dbraw/zinc/74/70/56/446747056.db2.gz UIWUNXPGWORXCG-HZPDHXFCSA-N 2 2 342.443 1.714 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000371287843 446747062 /nfs/dbraw/zinc/74/70/62/446747062.db2.gz UIWUNXPGWORXCG-HZPDHXFCSA-N 2 2 342.443 1.714 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376863336 446762082 /nfs/dbraw/zinc/76/20/82/446762082.db2.gz BOAJTELEQQSQHW-ZIAGYGMSSA-N 2 2 347.507 1.757 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376863336 446762091 /nfs/dbraw/zinc/76/20/91/446762091.db2.gz BOAJTELEQQSQHW-ZIAGYGMSSA-N 2 2 347.507 1.757 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C1C[NH2+]C1 ZINC000423916186 446765024 /nfs/dbraw/zinc/76/50/24/446765024.db2.gz MYOTZCCAYYEKQL-XBFCOCLRSA-N 2 2 325.453 1.632 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C1C[NH2+]C1 ZINC000423916186 446765030 /nfs/dbraw/zinc/76/50/30/446765030.db2.gz MYOTZCCAYYEKQL-XBFCOCLRSA-N 2 2 325.453 1.632 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000423917887 446767402 /nfs/dbraw/zinc/76/74/02/446767402.db2.gz OUCKWPQBHCEMQG-ZDUSSCGKSA-N 2 2 325.840 1.178 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000423917887 446767406 /nfs/dbraw/zinc/76/74/06/446767406.db2.gz OUCKWPQBHCEMQG-ZDUSSCGKSA-N 2 2 325.840 1.178 20 0 EDADLP CC[N@H+](CCO)CCN[C@@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000376882251 446774195 /nfs/dbraw/zinc/77/41/95/446774195.db2.gz PSAOMTJJMFLIOC-PKOBYXMFSA-N 2 2 335.492 1.180 20 0 EDADLP CC[N@@H+](CCO)CCN[C@@H](C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000376882251 446774199 /nfs/dbraw/zinc/77/41/99/446774199.db2.gz PSAOMTJJMFLIOC-PKOBYXMFSA-N 2 2 335.492 1.180 20 0 EDADLP CC[NH+](CCO)CCN[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000376882251 446774202 /nfs/dbraw/zinc/77/42/02/446774202.db2.gz PSAOMTJJMFLIOC-PKOBYXMFSA-N 2 2 335.492 1.180 20 0 EDADLP CC[NH+](CCO)CCN[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000376882251 446774207 /nfs/dbraw/zinc/77/42/07/446774207.db2.gz PSAOMTJJMFLIOC-PKOBYXMFSA-N 2 2 335.492 1.180 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCCCC1 ZINC000368307565 446775628 /nfs/dbraw/zinc/77/56/28/446775628.db2.gz LDYDIUJBDQNALZ-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCCCC1 ZINC000368307565 446775633 /nfs/dbraw/zinc/77/56/33/446775633.db2.gz LDYDIUJBDQNALZ-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP O=C([C@H]1CC[NH2+]C1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423929971 446782523 /nfs/dbraw/zinc/78/25/23/446782523.db2.gz NFJCHNYZJPWPFJ-LSDHHAIUSA-N 2 2 330.432 1.271 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000423933375 446783603 /nfs/dbraw/zinc/78/36/03/446783603.db2.gz RVCUCAAOWBNEAK-SQNIBIBYSA-N 2 2 331.460 1.516 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000423933375 446783610 /nfs/dbraw/zinc/78/36/10/446783610.db2.gz RVCUCAAOWBNEAK-SQNIBIBYSA-N 2 2 331.460 1.516 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000371337767 446786508 /nfs/dbraw/zinc/78/65/08/446786508.db2.gz WEUFDKDHSIXKSN-IEBWSBKVSA-N 2 2 344.503 1.891 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000371337767 446786518 /nfs/dbraw/zinc/78/65/18/446786518.db2.gz WEUFDKDHSIXKSN-IEBWSBKVSA-N 2 2 344.503 1.891 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000412030964 446792581 /nfs/dbraw/zinc/79/25/81/446792581.db2.gz ALNFSQRQYMOZLR-ULQDDVLXSA-N 2 2 347.459 1.017 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000412030964 446792586 /nfs/dbraw/zinc/79/25/86/446792586.db2.gz ALNFSQRQYMOZLR-ULQDDVLXSA-N 2 2 347.459 1.017 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc4c3OCO4)CC2)C1 ZINC000371382527 446821015 /nfs/dbraw/zinc/82/10/15/446821015.db2.gz ZWXVHSVNKVGYEF-KRWDZBQOSA-N 2 2 347.459 1.254 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000424038853 446829049 /nfs/dbraw/zinc/82/90/49/446829049.db2.gz JCPXPGBYMVIIHB-ZWKOTPCHSA-N 2 2 349.519 1.724 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000424038853 446829058 /nfs/dbraw/zinc/82/90/58/446829058.db2.gz JCPXPGBYMVIIHB-ZWKOTPCHSA-N 2 2 349.519 1.724 20 0 EDADLP C[C@@H]1CN(C(=O)c2cnn(CCF)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376990352 446844436 /nfs/dbraw/zinc/84/44/36/446844436.db2.gz CUGCXQYUTCAEQE-CQSZACIVSA-N 2 2 337.443 1.093 20 0 EDADLP C[C@@H]1CN(C(=O)c2cnn(CCF)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376990352 446844446 /nfs/dbraw/zinc/84/44/46/446844446.db2.gz CUGCXQYUTCAEQE-CQSZACIVSA-N 2 2 337.443 1.093 20 0 EDADLP CCCCCNC(=O)[C@H](C)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371425049 446846375 /nfs/dbraw/zinc/84/63/75/446846375.db2.gz QSXADLKBLFBKFR-WMZOPIPTSA-N 2 2 338.540 1.782 20 0 EDADLP CCCCCNC(=O)[C@H](C)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371425049 446846381 /nfs/dbraw/zinc/84/63/81/446846381.db2.gz QSXADLKBLFBKFR-WMZOPIPTSA-N 2 2 338.540 1.782 20 0 EDADLP CCCCNc1cc(NC2CC[NH+](CCCOC)CC2)nc(N)[nH+]1 ZINC000439154634 446808581 /nfs/dbraw/zinc/80/85/81/446808581.db2.gz MRICLCZDYNAWSY-UHFFFAOYSA-N 2 2 336.484 1.606 20 0 EDADLP CCCCNc1cc(NC2CC[NH+](CCCOC)CC2)[nH+]c(N)n1 ZINC000439154634 446808588 /nfs/dbraw/zinc/80/85/88/446808588.db2.gz MRICLCZDYNAWSY-UHFFFAOYSA-N 2 2 336.484 1.606 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)[NH+](C)C ZINC000454211692 446809142 /nfs/dbraw/zinc/80/91/42/446809142.db2.gz UTRSGSADNVZTGG-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000368443852 446866787 /nfs/dbraw/zinc/86/67/87/446866787.db2.gz WHSOGBBBYKVHMW-QZTJIDSGSA-N 2 2 330.407 1.964 20 0 EDADLP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000368443852 446866794 /nfs/dbraw/zinc/86/67/94/446866794.db2.gz WHSOGBBBYKVHMW-QZTJIDSGSA-N 2 2 330.407 1.964 20 0 EDADLP COCC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000371483652 446885368 /nfs/dbraw/zinc/88/53/68/446885368.db2.gz SOBZCCCSKOASPR-UHFFFAOYSA-N 2 2 337.489 1.333 20 0 EDADLP COCC[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000371483652 446885374 /nfs/dbraw/zinc/88/53/74/446885374.db2.gz SOBZCCCSKOASPR-UHFFFAOYSA-N 2 2 337.489 1.333 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000368664848 447016659 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EDADLP C[C@H](O)CNc1cc(NCc2ccccc2OCC[NH+](C)C)[nH+]cn1 ZINC000413095878 446997383 /nfs/dbraw/zinc/99/73/83/446997383.db2.gz UACBNZBVSYWRMW-AWEZNQCLSA-N 2 2 345.447 1.822 20 0 EDADLP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000443059572 447001691 /nfs/dbraw/zinc/00/16/91/447001691.db2.gz NDHKWFRDYYFCOZ-KRWDZBQOSA-N 3 2 345.491 1.181 20 0 EDADLP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000443059572 447001700 /nfs/dbraw/zinc/00/17/00/447001700.db2.gz NDHKWFRDYYFCOZ-KRWDZBQOSA-N 3 2 345.491 1.181 20 0 EDADLP C[C@@H]1CN(C(=O)NCCC2(O)CCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377333737 447071660 /nfs/dbraw/zinc/07/16/60/447071660.db2.gz KGLIEPYSYNVQIH-OAHLLOKOSA-N 2 2 338.496 1.101 20 0 EDADLP C[C@@H]1CN(C(=O)NCCC2(O)CCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377333737 447071669 /nfs/dbraw/zinc/07/16/69/447071669.db2.gz KGLIEPYSYNVQIH-OAHLLOKOSA-N 2 2 338.496 1.101 20 0 EDADLP CCCCc1noc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000368680139 447030887 /nfs/dbraw/zinc/03/08/87/447030887.db2.gz JMESXWNWKTVSAH-UHFFFAOYSA-N 2 2 338.452 1.071 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000455220282 447088712 /nfs/dbraw/zinc/08/87/12/447088712.db2.gz DAENBVBMEFYQHH-QGZVFWFLSA-N 2 2 346.475 1.775 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000455220282 447088718 /nfs/dbraw/zinc/08/87/18/447088718.db2.gz DAENBVBMEFYQHH-QGZVFWFLSA-N 2 2 346.475 1.775 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377481503 447153905 /nfs/dbraw/zinc/15/39/05/447153905.db2.gz LOMVQLRUIHUBQB-CABCVRRESA-N 2 2 328.416 1.324 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377481503 447153908 /nfs/dbraw/zinc/15/39/08/447153908.db2.gz LOMVQLRUIHUBQB-CABCVRRESA-N 2 2 328.416 1.324 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)CC1 ZINC000375901946 447132507 /nfs/dbraw/zinc/13/25/07/447132507.db2.gz DKHSWFIWRMSGQQ-MRXNPFEDSA-N 2 2 333.505 1.996 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)CC1 ZINC000375901946 447132512 /nfs/dbraw/zinc/13/25/12/447132512.db2.gz DKHSWFIWRMSGQQ-MRXNPFEDSA-N 2 2 333.505 1.996 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1C ZINC000425383394 447134420 /nfs/dbraw/zinc/13/44/20/447134420.db2.gz PHJSYSGCSZLCKJ-OAHLLOKOSA-N 2 2 341.459 1.971 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1C ZINC000425383394 447134427 /nfs/dbraw/zinc/13/44/27/447134427.db2.gz PHJSYSGCSZLCKJ-OAHLLOKOSA-N 2 2 341.459 1.971 20 0 EDADLP CN(C(=O)NCc1ccncc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924638 447204897 /nfs/dbraw/zinc/20/48/97/447204897.db2.gz MPFIELCDGHKXPL-QGZVFWFLSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C(=O)NCc1ccncc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924638 447204903 /nfs/dbraw/zinc/20/49/03/447204903.db2.gz MPFIELCDGHKXPL-QGZVFWFLSA-N 2 2 331.464 1.392 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000372731603 447253181 /nfs/dbraw/zinc/25/31/81/447253181.db2.gz WQGZYOCDUBEQPD-INIZCTEOSA-N 2 2 332.448 1.016 20 0 EDADLP Cc1cc(N2CCC[C@@H](Nc3[nH+]cnc4c3cnn4C)C2)nc(C)[nH+]1 ZINC000377577157 447217342 /nfs/dbraw/zinc/21/73/42/447217342.db2.gz LDAYESKKBHKWJX-CYBMUJFWSA-N 2 2 338.419 1.851 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377579367 447219943 /nfs/dbraw/zinc/21/99/43/447219943.db2.gz CSMMODYJWDUBBF-CVEARBPZSA-N 2 2 343.431 1.039 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000377632915 447259724 /nfs/dbraw/zinc/25/97/24/447259724.db2.gz YCFHWJUQCSRWSG-GOSISDBHSA-N 2 2 330.432 1.633 20 0 EDADLP CN(C(=O)c1cccc2c1OCO2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638015 447264833 /nfs/dbraw/zinc/26/48/33/447264833.db2.gz XSCAKOQVRIDNSS-HNNXBMFYSA-N 2 2 345.443 1.656 20 0 EDADLP CN(C(=O)c1cccc2c1OCO2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638015 447264835 /nfs/dbraw/zinc/26/48/35/447264835.db2.gz XSCAKOQVRIDNSS-HNNXBMFYSA-N 2 2 345.443 1.656 20 0 EDADLP CN(C)c1nc(NCC2CC[NH+](CCO)CC2)[nH+]c2ccccc21 ZINC000450315579 447451881 /nfs/dbraw/zinc/45/18/81/447451881.db2.gz XGFDLOYTYLOPOM-UHFFFAOYSA-N 2 2 329.448 1.812 20 0 EDADLP CCc1cc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)cc[nH+]1 ZINC000450314942 447452219 /nfs/dbraw/zinc/45/22/19/447452219.db2.gz VSYYDXGBVIWUOG-IBGZPJMESA-N 2 2 332.492 1.875 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Cn1cccn1 ZINC000379645696 447454582 /nfs/dbraw/zinc/45/45/82/447454582.db2.gz IGDPBXNMKJZNMV-OALUTQOASA-N 2 2 328.460 1.888 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)Cn1cccn1 ZINC000379645696 447454589 /nfs/dbraw/zinc/45/45/89/447454589.db2.gz IGDPBXNMKJZNMV-OALUTQOASA-N 2 2 328.460 1.888 20 0 EDADLP CC(C)Cn1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392764972 447526414 /nfs/dbraw/zinc/52/64/14/447526414.db2.gz SWFLGHCAGSNLCH-CVEARBPZSA-N 2 2 348.495 1.014 20 0 EDADLP CC(C)Cn1ncnc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392764972 447526421 /nfs/dbraw/zinc/52/64/21/447526421.db2.gz SWFLGHCAGSNLCH-CVEARBPZSA-N 2 2 348.495 1.014 20 0 EDADLP C[C@@H](C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000495081448 447476001 /nfs/dbraw/zinc/47/60/01/447476001.db2.gz UNSBZPAQGGNMDK-DOTOQJQBSA-N 2 2 334.512 1.899 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000457822349 447640905 /nfs/dbraw/zinc/64/09/05/447640905.db2.gz WLMITFUQHAMKSL-HRCADAONSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000457822349 447640909 /nfs/dbraw/zinc/64/09/09/447640909.db2.gz WLMITFUQHAMKSL-HRCADAONSA-N 2 2 326.485 1.125 20 0 EDADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450926686 447622519 /nfs/dbraw/zinc/62/25/19/447622519.db2.gz NFGDTLZTFVUHRQ-WBVHZDCISA-N 2 2 337.464 1.423 20 0 EDADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450926686 447622523 /nfs/dbraw/zinc/62/25/23/447622523.db2.gz NFGDTLZTFVUHRQ-WBVHZDCISA-N 2 2 337.464 1.423 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@](C)(F)C2)C1 ZINC000451123364 447691350 /nfs/dbraw/zinc/69/13/50/447691350.db2.gz VGQPGRUFBZYGKH-NVXWUHKLSA-N 2 2 329.460 1.283 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@](C)(F)C2)C1 ZINC000451123364 447691352 /nfs/dbraw/zinc/69/13/52/447691352.db2.gz VGQPGRUFBZYGKH-NVXWUHKLSA-N 2 2 329.460 1.283 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@](C)(F)C2)C1 ZINC000451123364 447691357 /nfs/dbraw/zinc/69/13/57/447691357.db2.gz VGQPGRUFBZYGKH-NVXWUHKLSA-N 2 2 329.460 1.283 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@](C)(F)C2)C1 ZINC000451123364 447691361 /nfs/dbraw/zinc/69/13/61/447691361.db2.gz VGQPGRUFBZYGKH-NVXWUHKLSA-N 2 2 329.460 1.283 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416814837 447691560 /nfs/dbraw/zinc/69/15/60/447691560.db2.gz NOMWQMQFSAYXOG-FUHWJXTLSA-N 2 2 346.475 1.186 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416814837 447691566 /nfs/dbraw/zinc/69/15/66/447691566.db2.gz NOMWQMQFSAYXOG-FUHWJXTLSA-N 2 2 346.475 1.186 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000416828529 447693771 /nfs/dbraw/zinc/69/37/71/447693771.db2.gz MFOQDXOXSMCLAA-RHSMWYFYSA-N 2 2 338.427 1.760 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC([NH3+])CC2)cc1 ZINC000416886348 447701890 /nfs/dbraw/zinc/70/18/90/447701890.db2.gz NIZPCDVPGUGGQV-GOSISDBHSA-N 2 2 346.475 1.501 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416889291 447702523 /nfs/dbraw/zinc/70/25/23/447702523.db2.gz KGDVVFKJSZQYNU-QZTJIDSGSA-N 2 2 346.475 1.501 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C[C@H]1[NH3+] ZINC000416888615 447702682 /nfs/dbraw/zinc/70/26/82/447702682.db2.gz JKICRFZQSKTJJV-OIISXLGYSA-N 2 2 332.448 1.049 20 0 EDADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451024126 447655615 /nfs/dbraw/zinc/65/56/15/447655615.db2.gz HHKMOKRMISAIDE-CQSZACIVSA-N 2 2 334.464 1.906 20 0 EDADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451024126 447655618 /nfs/dbraw/zinc/65/56/18/447655618.db2.gz HHKMOKRMISAIDE-CQSZACIVSA-N 2 2 334.464 1.906 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408459917 447663806 /nfs/dbraw/zinc/66/38/06/447663806.db2.gz ZVJPVMKHNITOJJ-OAGGEKHMSA-N 2 2 331.526 1.699 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408459917 447663809 /nfs/dbraw/zinc/66/38/09/447663809.db2.gz ZVJPVMKHNITOJJ-OAGGEKHMSA-N 2 2 331.526 1.699 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000422634128 447680787 /nfs/dbraw/zinc/68/07/87/447680787.db2.gz JCZURNODTXJYBQ-FMKPAKJESA-N 2 2 346.475 1.632 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000422634128 447680791 /nfs/dbraw/zinc/68/07/91/447680791.db2.gz JCZURNODTXJYBQ-FMKPAKJESA-N 2 2 346.475 1.632 20 0 EDADLP COCC1(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CC[NH2+]CC1 ZINC000420240433 447682650 /nfs/dbraw/zinc/68/26/50/447682650.db2.gz LZMYRXPMXADBRX-GJZGRUSLSA-N 2 2 349.479 1.112 20 0 EDADLP COCC1(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC[NH2+]CC1 ZINC000420240433 447682658 /nfs/dbraw/zinc/68/26/58/447682658.db2.gz LZMYRXPMXADBRX-GJZGRUSLSA-N 2 2 349.479 1.112 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416923724 447711799 /nfs/dbraw/zinc/71/17/99/447711799.db2.gz WLKRNTNEEIPVII-SWLSCSKDSA-N 2 2 333.411 1.803 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000416941094 447717398 /nfs/dbraw/zinc/71/73/98/447717398.db2.gz QAPPSSZWOGVDCC-GOEBONIOSA-N 2 2 331.464 1.999 20 0 EDADLP CC(C)C[C@H](CNC(=O)N1CC[NH2+]C[C@](C)(F)C1)[NH+]1CCOCC1 ZINC000416942821 447719120 /nfs/dbraw/zinc/71/91/20/447719120.db2.gz SKCSEELCZDBGSB-WBVHZDCISA-N 2 2 344.475 1.076 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CC1 ZINC000416942023 447719127 /nfs/dbraw/zinc/71/91/27/447719127.db2.gz AQZAVYFALSFUAP-MRXNPFEDSA-N 2 2 327.432 1.510 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000422713838 447725544 /nfs/dbraw/zinc/72/55/44/447725544.db2.gz KHOXRAQUWHNUJM-SJLPKXTDSA-N 2 2 336.524 1.299 20 0 EDADLP Cc1ccc([C@H](C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)N2CCOCC2)cc1 ZINC000422716658 447727127 /nfs/dbraw/zinc/72/71/27/447727127.db2.gz UVHCXAKMXYNFLL-RLLQIKCJSA-N 2 2 347.503 1.725 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000422724625 447730174 /nfs/dbraw/zinc/73/01/74/447730174.db2.gz WGFAKCWAOAVJRF-PKOBYXMFSA-N 3 2 333.476 1.615 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+](C2CC2)C1 ZINC000458169430 447733817 /nfs/dbraw/zinc/73/38/17/447733817.db2.gz HLEQXOGYBQDKIP-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+](C2CC2)C1 ZINC000458169430 447733820 /nfs/dbraw/zinc/73/38/20/447733820.db2.gz HLEQXOGYBQDKIP-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+](C2CC2)C1 ZINC000458169430 447733825 /nfs/dbraw/zinc/73/38/25/447733825.db2.gz HLEQXOGYBQDKIP-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+](C2CC2)C1 ZINC000458169430 447733831 /nfs/dbraw/zinc/73/38/31/447733831.db2.gz HLEQXOGYBQDKIP-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000422757510 447741638 /nfs/dbraw/zinc/74/16/38/447741638.db2.gz DFEYLYVKVWLAFI-ZFWWWQNUSA-N 2 2 325.478 1.730 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)cn2)CC1 ZINC000459704704 447745115 /nfs/dbraw/zinc/74/51/15/447745115.db2.gz HVCZYVLUTQHXBS-IRXDYDNUSA-N 2 2 343.475 1.229 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC4(CCC4)[C@H]4COC[C@@H]43)cn2)CC1 ZINC000459704704 447745118 /nfs/dbraw/zinc/74/51/18/447745118.db2.gz HVCZYVLUTQHXBS-IRXDYDNUSA-N 2 2 343.475 1.229 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422797338 447752662 /nfs/dbraw/zinc/75/26/62/447752662.db2.gz MDVHDXXUYLGPQM-HZSPNIEDSA-N 2 2 344.858 1.987 20 0 EDADLP CO[C@@H]1C[C@H]([N@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C12CCC2 ZINC000496310293 447754847 /nfs/dbraw/zinc/75/48/47/447754847.db2.gz VHUKNRHASCOVAU-FCEWJHQRSA-N 2 2 349.475 1.750 20 0 EDADLP CO[C@@H]1C[C@H]([N@@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C12CCC2 ZINC000496310293 447754850 /nfs/dbraw/zinc/75/48/50/447754850.db2.gz VHUKNRHASCOVAU-FCEWJHQRSA-N 2 2 349.475 1.750 20 0 EDADLP c1ncn(Cc2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)n1 ZINC000422816381 447757443 /nfs/dbraw/zinc/75/74/43/447757443.db2.gz ZUWMWVKHUKFUSY-MSOLQXFVSA-N 2 2 327.432 1.183 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496541545 447813220 /nfs/dbraw/zinc/81/32/20/447813220.db2.gz CIOQVUGZZFDHTD-OFQRWUPVSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496541545 447813221 /nfs/dbraw/zinc/81/32/21/447813221.db2.gz CIOQVUGZZFDHTD-OFQRWUPVSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000496541545 447813222 /nfs/dbraw/zinc/81/32/22/447813222.db2.gz CIOQVUGZZFDHTD-OFQRWUPVSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496541545 447813223 /nfs/dbraw/zinc/81/32/23/447813223.db2.gz CIOQVUGZZFDHTD-OFQRWUPVSA-N 2 2 341.496 1.677 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422943106 447777597 /nfs/dbraw/zinc/77/75/97/447777597.db2.gz KCRVIJSJQFWIDQ-PKOBYXMFSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422951318 447779659 /nfs/dbraw/zinc/77/96/59/447779659.db2.gz YCBOEKOEAMDFMF-DVOMOZLQSA-N 2 2 325.478 1.586 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000430591265 447781404 /nfs/dbraw/zinc/78/14/04/447781404.db2.gz AIUIMWJYTQRYHL-LJQANCHMSA-N 3 2 346.519 1.636 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000430591265 447781406 /nfs/dbraw/zinc/78/14/06/447781406.db2.gz AIUIMWJYTQRYHL-LJQANCHMSA-N 3 2 346.519 1.636 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000430805253 447787279 /nfs/dbraw/zinc/78/72/79/447787279.db2.gz IDJCDDIPFAPJRZ-QGZVFWFLSA-N 2 2 328.416 2.017 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000460028921 447787539 /nfs/dbraw/zinc/78/75/39/447787539.db2.gz RJKUKFOLXDEFPT-GJZGRUSLSA-N 2 2 347.463 1.058 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000460028921 447787543 /nfs/dbraw/zinc/78/75/43/447787543.db2.gz RJKUKFOLXDEFPT-GJZGRUSLSA-N 2 2 347.463 1.058 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000462007451 447798318 /nfs/dbraw/zinc/79/83/18/447798318.db2.gz GJRLIHWVHCNCQF-DZKIICNBSA-N 2 2 337.468 1.668 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000462007451 447798322 /nfs/dbraw/zinc/79/83/22/447798322.db2.gz GJRLIHWVHCNCQF-DZKIICNBSA-N 2 2 337.468 1.668 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423113547 447807661 /nfs/dbraw/zinc/80/76/61/447807661.db2.gz YLWVSJSSOIYFHU-YPMHNXCESA-N 2 2 333.354 1.879 20 0 EDADLP COC(=O)N1CCN(c2ccc(NCc3c[nH+]c(C)n3C)c[nH+]2)CC1 ZINC000496682908 447847625 /nfs/dbraw/zinc/84/76/25/447847625.db2.gz MUWCPYCKUXAFIH-UHFFFAOYSA-N 2 2 344.419 1.624 20 0 EDADLP COC(=O)Nc1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000496574730 447824587 /nfs/dbraw/zinc/82/45/87/447824587.db2.gz YLUKSEMZEGWAAZ-IRXDYDNUSA-N 2 2 333.432 1.764 20 0 EDADLP C[N@@H+]1CCc2ncnc(NCCc3[nH+]ccn3Cc3ccccc3)c2C1 ZINC000523371932 447881671 /nfs/dbraw/zinc/88/16/71/447881671.db2.gz RGNUKEWFJUZQEF-UHFFFAOYSA-N 2 2 348.454 2.364 20 0 EDADLP C[N@H+]1CCc2ncnc(NCCc3[nH+]ccn3Cc3ccccc3)c2C1 ZINC000523371932 447881676 /nfs/dbraw/zinc/88/16/76/447881676.db2.gz RGNUKEWFJUZQEF-UHFFFAOYSA-N 2 2 348.454 2.364 20 0 EDADLP CN1C[C@@H](C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)OC1=O ZINC000497145549 447891110 /nfs/dbraw/zinc/89/11/10/447891110.db2.gz HEKJZXGIWFXBCG-SQWLQELKSA-N 2 2 335.452 1.185 20 0 EDADLP CN1C[C@@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)OC1=O ZINC000497145549 447891116 /nfs/dbraw/zinc/89/11/16/447891116.db2.gz HEKJZXGIWFXBCG-SQWLQELKSA-N 2 2 335.452 1.185 20 0 EDADLP CN1C[C@@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)OC1=O ZINC000497145549 447891121 /nfs/dbraw/zinc/89/11/21/447891121.db2.gz HEKJZXGIWFXBCG-SQWLQELKSA-N 2 2 335.452 1.185 20 0 EDADLP CN1C[C@@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)OC1=O ZINC000497145549 447891125 /nfs/dbraw/zinc/89/11/25/447891125.db2.gz HEKJZXGIWFXBCG-SQWLQELKSA-N 2 2 335.452 1.185 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@H]3C[N@@H+](C)C[C@H]31)CCC2 ZINC000575798573 447899885 /nfs/dbraw/zinc/89/98/85/447899885.db2.gz RLJWSWFXWKDNFI-OWCLPIDISA-N 2 2 331.464 1.805 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@H]3C[N@H+](C)C[C@H]31)CCC2 ZINC000575798573 447899891 /nfs/dbraw/zinc/89/98/91/447899891.db2.gz RLJWSWFXWKDNFI-OWCLPIDISA-N 2 2 331.464 1.805 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844475 447959204 /nfs/dbraw/zinc/95/92/04/447959204.db2.gz XXYOREBRHRBYEN-FUHWJXTLSA-N 2 2 331.460 1.344 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000552844475 447959208 /nfs/dbraw/zinc/95/92/08/447959208.db2.gz XXYOREBRHRBYEN-FUHWJXTLSA-N 2 2 331.460 1.344 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CCO1 ZINC000530579217 447919446 /nfs/dbraw/zinc/91/94/46/447919446.db2.gz YWWJXGNHKZQYGE-IEBWSBKVSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CCO1 ZINC000530579217 447919451 /nfs/dbraw/zinc/91/94/51/447919451.db2.gz YWWJXGNHKZQYGE-IEBWSBKVSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000530579217 447919456 /nfs/dbraw/zinc/91/94/56/447919456.db2.gz YWWJXGNHKZQYGE-IEBWSBKVSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCO1 ZINC000530579217 447919461 /nfs/dbraw/zinc/91/94/61/447919461.db2.gz YWWJXGNHKZQYGE-IEBWSBKVSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])Oc1cccc(C)c1 ZINC000575900102 447925437 /nfs/dbraw/zinc/92/54/37/447925437.db2.gz DDMZTLAIJWSLHO-HOTGVXAUSA-N 2 2 334.464 1.437 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])Oc1cccc(C)c1 ZINC000575900102 447925440 /nfs/dbraw/zinc/92/54/40/447925440.db2.gz DDMZTLAIJWSLHO-HOTGVXAUSA-N 2 2 334.464 1.437 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000524367702 447927168 /nfs/dbraw/zinc/92/71/68/447927168.db2.gz YQHCRCBBVUPAAH-GJZGRUSLSA-N 2 2 336.505 1.247 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000524367702 447927173 /nfs/dbraw/zinc/92/71/73/447927173.db2.gz YQHCRCBBVUPAAH-GJZGRUSLSA-N 2 2 336.505 1.247 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[NH+](Cc2cscn2)CC1 ZINC000524491752 447933272 /nfs/dbraw/zinc/93/32/72/447933272.db2.gz SPOREZITHKVXLK-CQSZACIVSA-N 2 2 349.504 1.597 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[NH+](Cc2cscn2)CC1 ZINC000524491752 447933276 /nfs/dbraw/zinc/93/32/76/447933276.db2.gz SPOREZITHKVXLK-CQSZACIVSA-N 2 2 349.504 1.597 20 0 EDADLP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000524491752 447933279 /nfs/dbraw/zinc/93/32/79/447933279.db2.gz SPOREZITHKVXLK-CQSZACIVSA-N 2 2 349.504 1.597 20 0 EDADLP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000524491752 447933282 /nfs/dbraw/zinc/93/32/82/447933282.db2.gz SPOREZITHKVXLK-CQSZACIVSA-N 2 2 349.504 1.597 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C[S@](C)=O)CC2)CC1 ZINC000553557568 447995175 /nfs/dbraw/zinc/99/51/75/447995175.db2.gz ZHNCUBQVQIWQNI-FATZIPQQSA-N 2 2 343.537 1.066 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496886157 448001813 /nfs/dbraw/zinc/00/18/13/448001813.db2.gz AIKQYRZDGJSZQQ-YOEHRIQHSA-N 2 2 335.448 1.949 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496886157 448001818 /nfs/dbraw/zinc/00/18/18/448001818.db2.gz AIKQYRZDGJSZQQ-YOEHRIQHSA-N 2 2 335.448 1.949 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496886157 448001824 /nfs/dbraw/zinc/00/18/24/448001824.db2.gz AIKQYRZDGJSZQQ-YOEHRIQHSA-N 2 2 335.448 1.949 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496886157 448001827 /nfs/dbraw/zinc/00/18/27/448001827.db2.gz AIKQYRZDGJSZQQ-YOEHRIQHSA-N 2 2 335.448 1.949 20 0 EDADLP CN(C[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000497264586 448018540 /nfs/dbraw/zinc/01/85/40/448018540.db2.gz WQPKQOXQVSHSBM-KBPBESRZSA-N 2 2 338.452 1.817 20 0 EDADLP CN(C[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000497264586 448018546 /nfs/dbraw/zinc/01/85/46/448018546.db2.gz WQPKQOXQVSHSBM-KBPBESRZSA-N 2 2 338.452 1.817 20 0 EDADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000531154976 448029592 /nfs/dbraw/zinc/02/95/92/448029592.db2.gz SAJYYIKRKAGAHO-MRXNPFEDSA-N 2 2 345.491 1.709 20 0 EDADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000531154976 448029596 /nfs/dbraw/zinc/02/95/96/448029596.db2.gz SAJYYIKRKAGAHO-MRXNPFEDSA-N 2 2 345.491 1.709 20 0 EDADLP Cc1cc(N2CCN(C(=O)/C=C\C[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000491645891 448069467 /nfs/dbraw/zinc/06/94/67/448069467.db2.gz SOPDVGURVQEDNC-SREVYHEPSA-N 2 2 331.464 1.675 20 0 EDADLP CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000510115340 448151836 /nfs/dbraw/zinc/15/18/36/448151836.db2.gz YAFGYAOLXNYIAD-KDURUIRLSA-N 2 2 345.487 1.748 20 0 EDADLP CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000510115340 448151841 /nfs/dbraw/zinc/15/18/41/448151841.db2.gz YAFGYAOLXNYIAD-KDURUIRLSA-N 2 2 345.487 1.748 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000577076130 448206647 /nfs/dbraw/zinc/20/66/47/448206647.db2.gz MVUGCWKWLNNAPF-RDTXWAMCSA-N 2 2 342.443 1.124 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000577076130 448206651 /nfs/dbraw/zinc/20/66/51/448206651.db2.gz MVUGCWKWLNNAPF-RDTXWAMCSA-N 2 2 342.443 1.124 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000577076130 448206657 /nfs/dbraw/zinc/20/66/57/448206657.db2.gz MVUGCWKWLNNAPF-RDTXWAMCSA-N 2 2 342.443 1.124 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000577076130 448206662 /nfs/dbraw/zinc/20/66/62/448206662.db2.gz MVUGCWKWLNNAPF-RDTXWAMCSA-N 2 2 342.443 1.124 20 0 EDADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cnn1 ZINC000527313227 448208236 /nfs/dbraw/zinc/20/82/36/448208236.db2.gz CWINFEROHUEUBE-UHFFFAOYSA-N 2 2 331.464 1.465 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2c[nH+]c(C)nc2N)cc1 ZINC000556844225 448165827 /nfs/dbraw/zinc/16/58/27/448165827.db2.gz QKSHQCAXMIFXKV-UHFFFAOYSA-N 2 2 327.432 2.139 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000582415666 448229882 /nfs/dbraw/zinc/22/98/82/448229882.db2.gz FVJAUVGGZVNOSE-GUTXKFCHSA-N 2 2 328.403 1.567 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000582415666 448229888 /nfs/dbraw/zinc/22/98/88/448229888.db2.gz FVJAUVGGZVNOSE-GUTXKFCHSA-N 2 2 328.403 1.567 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000577203522 448234981 /nfs/dbraw/zinc/23/49/81/448234981.db2.gz YSRNUMYWYJJXDG-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000577203522 448234985 /nfs/dbraw/zinc/23/49/85/448234985.db2.gz YSRNUMYWYJJXDG-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000532210306 448216185 /nfs/dbraw/zinc/21/61/85/448216185.db2.gz ULCJVJWRQPEYRF-CRAIPNDOSA-N 2 2 343.471 1.874 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000532210306 448216189 /nfs/dbraw/zinc/21/61/89/448216189.db2.gz ULCJVJWRQPEYRF-CRAIPNDOSA-N 2 2 343.471 1.874 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000577495711 448312368 /nfs/dbraw/zinc/31/23/68/448312368.db2.gz BCIBUJSDVVGSTJ-IAGOWNOFSA-N 2 2 345.487 1.876 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000577383655 448283733 /nfs/dbraw/zinc/28/37/33/448283733.db2.gz DMKMDGJDAJMBIG-MRXNPFEDSA-N 2 2 337.464 1.172 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000577383655 448283738 /nfs/dbraw/zinc/28/37/38/448283738.db2.gz DMKMDGJDAJMBIG-MRXNPFEDSA-N 2 2 337.464 1.172 20 0 EDADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000577408017 448290684 /nfs/dbraw/zinc/29/06/84/448290684.db2.gz BLMCZYMXALNSMH-RHSMWYFYSA-N 2 2 347.434 1.427 20 0 EDADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)C1 ZINC000577408017 448290689 /nfs/dbraw/zinc/29/06/89/448290689.db2.gz BLMCZYMXALNSMH-RHSMWYFYSA-N 2 2 347.434 1.427 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000515671576 448342702 /nfs/dbraw/zinc/34/27/02/448342702.db2.gz NTEHQIAZGRAGMD-BXUZGUMPSA-N 2 2 327.436 1.399 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000515671576 448342705 /nfs/dbraw/zinc/34/27/05/448342705.db2.gz NTEHQIAZGRAGMD-BXUZGUMPSA-N 2 2 327.436 1.399 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000577650196 448353620 /nfs/dbraw/zinc/35/36/20/448353620.db2.gz HPVRTCJTSOXLNH-UHFFFAOYSA-N 2 2 333.411 1.343 20 0 EDADLP CC(=O)Nc1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000577735116 448372258 /nfs/dbraw/zinc/37/22/58/448372258.db2.gz WAXMRXIFEYHHHX-HIFRSBDPSA-N 2 2 338.477 1.820 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)CC2 ZINC000572374317 448360696 /nfs/dbraw/zinc/36/06/96/448360696.db2.gz DMKGBRVLUJXVBO-XJKSGUPXSA-N 2 2 347.459 1.400 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)CC2 ZINC000572374317 448360700 /nfs/dbraw/zinc/36/07/00/448360700.db2.gz DMKGBRVLUJXVBO-XJKSGUPXSA-N 2 2 347.459 1.400 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000572466148 448384776 /nfs/dbraw/zinc/38/47/76/448384776.db2.gz LKAYVEJVFQYIRC-SJORKVTESA-N 2 2 332.448 1.020 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000572466148 448384783 /nfs/dbraw/zinc/38/47/83/448384783.db2.gz LKAYVEJVFQYIRC-SJORKVTESA-N 2 2 332.448 1.020 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)C[C@H](C)O1 ZINC000577858909 448404303 /nfs/dbraw/zinc/40/43/03/448404303.db2.gz DEOIHVRNYRGFPA-JZXOWHBKSA-N 2 2 348.491 1.242 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)C[C@H](C)O1 ZINC000577858909 448404309 /nfs/dbraw/zinc/40/43/09/448404309.db2.gz DEOIHVRNYRGFPA-JZXOWHBKSA-N 2 2 348.491 1.242 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]([NH3+])c2cscn2)C[C@H](C)O1 ZINC000583086205 448422108 /nfs/dbraw/zinc/42/21/08/448422108.db2.gz DUMVSIIPFANQLN-MBNYWOFBSA-N 2 2 326.466 1.149 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]([NH3+])c2cscn2)C[C@H](C)O1 ZINC000583086205 448422112 /nfs/dbraw/zinc/42/21/12/448422112.db2.gz DUMVSIIPFANQLN-MBNYWOFBSA-N 2 2 326.466 1.149 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000533864766 448426050 /nfs/dbraw/zinc/42/60/50/448426050.db2.gz BIYHPDOFGOXHJN-HNNXBMFYSA-N 2 2 328.416 1.405 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000533864766 448426055 /nfs/dbraw/zinc/42/60/55/448426055.db2.gz BIYHPDOFGOXHJN-HNNXBMFYSA-N 2 2 328.416 1.405 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000566320418 448445051 /nfs/dbraw/zinc/44/50/51/448445051.db2.gz NJSFJJDSHDEWCO-INIZCTEOSA-N 2 2 339.443 1.493 20 0 EDADLP C[N@H+](CC(=O)NCC1CC[NH+](CC(F)F)CC1)[C@H]1CCSC1 ZINC000516785377 448473930 /nfs/dbraw/zinc/47/39/30/448473930.db2.gz WSCGKOFMFVFVJZ-ZDUSSCGKSA-N 2 2 335.464 1.517 20 0 EDADLP C[N@@H+](CC(=O)NCC1CC[NH+](CC(F)F)CC1)[C@H]1CCSC1 ZINC000516785377 448473935 /nfs/dbraw/zinc/47/39/35/448473935.db2.gz WSCGKOFMFVFVJZ-ZDUSSCGKSA-N 2 2 335.464 1.517 20 0 EDADLP OC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000516859498 448483477 /nfs/dbraw/zinc/48/34/77/448483477.db2.gz VNJZOUFBNLBUMP-UXHICEINSA-N 2 2 326.440 1.729 20 0 EDADLP OC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000516859498 448483485 /nfs/dbraw/zinc/48/34/85/448483485.db2.gz VNJZOUFBNLBUMP-UXHICEINSA-N 2 2 326.440 1.729 20 0 EDADLP CCc1cnc(CC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000572870191 448487169 /nfs/dbraw/zinc/48/71/69/448487169.db2.gz FUDPPWBWNJSHHI-HZSPNIEDSA-N 2 2 327.494 1.308 20 0 EDADLP CCc1cnc(CC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000572870191 448487173 /nfs/dbraw/zinc/48/71/73/448487173.db2.gz FUDPPWBWNJSHHI-HZSPNIEDSA-N 2 2 327.494 1.308 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000584346823 448491375 /nfs/dbraw/zinc/49/13/75/448491375.db2.gz GFKAATWRHMVYCC-UHFFFAOYSA-N 2 2 334.464 1.331 20 0 EDADLP Cc1nc(N)c(CNC(=O)c2ccccc2OCC[NH+](C)C)c[nH+]1 ZINC000584134999 448472885 /nfs/dbraw/zinc/47/28/85/448472885.db2.gz MVBPEIGLJFDKKN-UHFFFAOYSA-N 2 2 329.404 1.238 20 0 EDADLP COCc1cc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000572953606 448504174 /nfs/dbraw/zinc/50/41/74/448504174.db2.gz MMTRKZKHKUHJOC-JKIFEVAISA-N 2 2 340.439 1.532 20 0 EDADLP COCc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000572953606 448504177 /nfs/dbraw/zinc/50/41/77/448504177.db2.gz MMTRKZKHKUHJOC-JKIFEVAISA-N 2 2 340.439 1.532 20 0 EDADLP C[C@@H]([NH2+]C1(C[NH2+]CCC(=O)NC(N)=O)CCCC1)c1ccccc1 ZINC000516965603 448510856 /nfs/dbraw/zinc/51/08/56/448510856.db2.gz DJPULIRRXUSPDN-CQSZACIVSA-N 2 2 332.448 1.825 20 0 EDADLP c1nc(N2CC[NH+](CC3CCOCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000536091940 448515710 /nfs/dbraw/zinc/51/57/10/448515710.db2.gz SDQZUDOFMWKGBI-UHFFFAOYSA-N 2 2 331.464 1.847 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4)no3)CCN2C1=O ZINC000572986227 448515993 /nfs/dbraw/zinc/51/59/93/448515993.db2.gz BRYIVONBANKJTK-UKRRQHHQSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)CCN2C1=O ZINC000572986227 448515996 /nfs/dbraw/zinc/51/59/96/448515996.db2.gz BRYIVONBANKJTK-UKRRQHHQSA-N 2 2 330.363 1.225 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCc2cccc(O)c21 ZINC000566669276 448532793 /nfs/dbraw/zinc/53/27/93/448532793.db2.gz SXFNGUZEPRGHOF-KRWDZBQOSA-N 2 2 345.487 1.906 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCc2cccc(O)c21 ZINC000566669276 448532800 /nfs/dbraw/zinc/53/28/00/448532800.db2.gz SXFNGUZEPRGHOF-KRWDZBQOSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2c1 ZINC000584458751 448533292 /nfs/dbraw/zinc/53/32/92/448533292.db2.gz IHFDQULFYYWEJG-GASCZTMLSA-N 2 2 327.432 1.784 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000517255180 448565119 /nfs/dbraw/zinc/56/51/19/448565119.db2.gz VQMVTPYQDCUNSI-HLLBOEOZSA-N 2 2 349.479 1.814 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000517255180 448565124 /nfs/dbraw/zinc/56/51/24/448565124.db2.gz VQMVTPYQDCUNSI-HLLBOEOZSA-N 2 2 349.479 1.814 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000537953603 448575134 /nfs/dbraw/zinc/57/51/34/448575134.db2.gz ZZTXSYSCNUQAPK-OCCSQVGLSA-N 2 2 343.518 1.441 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000537953603 448575139 /nfs/dbraw/zinc/57/51/39/448575139.db2.gz ZZTXSYSCNUQAPK-OCCSQVGLSA-N 2 2 343.518 1.441 20 0 EDADLP COc1cc(NC(=O)CC[N@H+](C)[C@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000566679009 448536752 /nfs/dbraw/zinc/53/67/52/448536752.db2.gz RRAHUCDKAZBZLO-ZDUSSCGKSA-N 2 2 337.420 1.335 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000566679009 448536756 /nfs/dbraw/zinc/53/67/56/448536756.db2.gz RRAHUCDKAZBZLO-ZDUSSCGKSA-N 2 2 337.420 1.335 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000517152632 448544024 /nfs/dbraw/zinc/54/40/24/448544024.db2.gz RHTGQXXEAXGSBE-HNNXBMFYSA-N 2 2 340.431 1.291 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000517152632 448544028 /nfs/dbraw/zinc/54/40/28/448544028.db2.gz RHTGQXXEAXGSBE-HNNXBMFYSA-N 2 2 340.431 1.291 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000567095725 448611224 /nfs/dbraw/zinc/61/12/24/448611224.db2.gz YCEWGKUQAYTVKQ-IYBDPMFKSA-N 2 2 329.448 1.718 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC1=CC[NH2+]CC1)c1c(F)cccc1F ZINC000578730095 448619363 /nfs/dbraw/zinc/61/93/63/448619363.db2.gz NCXZBBSCWPLZSA-HNNXBMFYSA-N 2 2 338.402 1.786 20 0 EDADLP CCc1c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cnn1-c1ccccc1 ZINC000578739348 448623200 /nfs/dbraw/zinc/62/32/00/448623200.db2.gz MKBSQVRYRCLWMD-OAHLLOKOSA-N 2 2 342.447 1.541 20 0 EDADLP CCc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cnn1-c1ccccc1 ZINC000578739348 448623204 /nfs/dbraw/zinc/62/32/04/448623204.db2.gz MKBSQVRYRCLWMD-OAHLLOKOSA-N 2 2 342.447 1.541 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000573318350 448597352 /nfs/dbraw/zinc/59/73/52/448597352.db2.gz XFMNKCGQSWPYNL-MBNYWOFBSA-N 2 2 346.393 1.706 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000573318350 448597359 /nfs/dbraw/zinc/59/73/59/448597359.db2.gz XFMNKCGQSWPYNL-MBNYWOFBSA-N 2 2 346.393 1.706 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000517961271 448636141 /nfs/dbraw/zinc/63/61/41/448636141.db2.gz OLZPZIROPJXLJZ-AEFFLSMTSA-N 2 2 331.460 1.566 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000517961272 448636325 /nfs/dbraw/zinc/63/63/25/448636325.db2.gz OLZPZIROPJXLJZ-FUHWJXTLSA-N 2 2 331.460 1.566 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)CC1 ZINC000528845944 448694059 /nfs/dbraw/zinc/69/40/59/448694059.db2.gz GBMPUYJXEDIDDE-RDTXWAMCSA-N 2 2 346.475 1.684 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)CCN2C1=O ZINC000579005599 448694533 /nfs/dbraw/zinc/69/45/33/448694533.db2.gz HVUHOYSKKABMJU-CJNGLKHVSA-N 2 2 348.878 1.684 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)CCN2C1=O ZINC000579005599 448694537 /nfs/dbraw/zinc/69/45/37/448694537.db2.gz HVUHOYSKKABMJU-CJNGLKHVSA-N 2 2 348.878 1.684 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@]4(C3)CCC[N@H+](C)C4)nc[nH+]2)C1 ZINC000573782023 448709958 /nfs/dbraw/zinc/70/99/58/448709958.db2.gz GURCGYLYPXQKID-FCEWJHQRSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)nc[nH+]2)C1 ZINC000573782023 448709964 /nfs/dbraw/zinc/70/99/64/448709964.db2.gz GURCGYLYPXQKID-FCEWJHQRSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@]4(C3)CCC[N@H+](C)C4)[nH+]cn2)C1 ZINC000573782023 448709971 /nfs/dbraw/zinc/70/99/71/448709971.db2.gz GURCGYLYPXQKID-FCEWJHQRSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)[nH+]cn2)C1 ZINC000573782023 448709977 /nfs/dbraw/zinc/70/99/77/448709977.db2.gz GURCGYLYPXQKID-FCEWJHQRSA-N 2 2 345.491 1.606 20 0 EDADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)n2)c1 ZINC000579108279 448716252 /nfs/dbraw/zinc/71/62/52/448716252.db2.gz OIHUBSGIGPNZHN-HZSPNIEDSA-N 2 2 330.436 1.593 20 0 EDADLP COc1ccc(CCCCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000573800092 448716586 /nfs/dbraw/zinc/71/65/86/448716586.db2.gz UDEZVUHLEVXCAI-QGZVFWFLSA-N 2 2 333.476 1.899 20 0 EDADLP COc1ccc(CCCCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000573800092 448716594 /nfs/dbraw/zinc/71/65/94/448716594.db2.gz UDEZVUHLEVXCAI-QGZVFWFLSA-N 2 2 333.476 1.899 20 0 EDADLP c1c[nH+]c(CN2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)[nH]1 ZINC000544677706 448763266 /nfs/dbraw/zinc/76/32/66/448763266.db2.gz PTDOAHKHHPUPMA-UHFFFAOYSA-N 2 2 327.436 1.512 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)nc(N2CCCC2)n1 ZINC000519138346 448744439 /nfs/dbraw/zinc/74/44/39/448744439.db2.gz WTGUVYZROYREEU-SJORKVTESA-N 2 2 331.464 1.242 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C)c(C(=O)OC)[nH]3)C2)CC1 ZINC000585726810 448749403 /nfs/dbraw/zinc/74/94/03/448749403.db2.gz QUDNTCPWAOYZNG-INIZCTEOSA-N 2 2 334.464 1.322 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)c(C(=O)OC)[nH]3)C2)CC1 ZINC000585726810 448749411 /nfs/dbraw/zinc/74/94/11/448749411.db2.gz QUDNTCPWAOYZNG-INIZCTEOSA-N 2 2 334.464 1.322 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000567779355 448759997 /nfs/dbraw/zinc/75/99/97/448759997.db2.gz LPCKAPRSNPRHCX-HGTKMLMNSA-N 2 2 332.448 1.309 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000568051336 448807198 /nfs/dbraw/zinc/80/71/98/448807198.db2.gz DGMMSYSVVZSZEN-LJQANCHMSA-N 2 2 333.476 1.124 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000568051336 448807204 /nfs/dbraw/zinc/80/72/04/448807204.db2.gz DGMMSYSVVZSZEN-LJQANCHMSA-N 2 2 333.476 1.124 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000568051016 448807722 /nfs/dbraw/zinc/80/77/22/448807722.db2.gz RVZVFMFRVRPHLK-HNNXBMFYSA-N 2 2 332.347 1.419 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000568051016 448807724 /nfs/dbraw/zinc/80/77/24/448807724.db2.gz RVZVFMFRVRPHLK-HNNXBMFYSA-N 2 2 332.347 1.419 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529293753 448810724 /nfs/dbraw/zinc/81/07/24/448810724.db2.gz ZGBGHEXQEXZKAS-ZBFHGGJFSA-N 2 2 335.452 1.072 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)Cc1ccc(OC)c(F)c1 ZINC000519538513 448780359 /nfs/dbraw/zinc/78/03/59/448780359.db2.gz DVTWEMSSJQJBOL-DUVNUKRYSA-N 2 2 337.439 1.327 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000519592816 448793739 /nfs/dbraw/zinc/79/37/39/448793739.db2.gz JTJAGNDQJMBBJS-FUHWJXTLSA-N 2 2 346.475 1.283 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000519592816 448793743 /nfs/dbraw/zinc/79/37/43/448793743.db2.gz JTJAGNDQJMBBJS-FUHWJXTLSA-N 2 2 346.475 1.283 20 0 EDADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000574209058 448817850 /nfs/dbraw/zinc/81/78/50/448817850.db2.gz RLTRHXDQHDKEAN-UHFFFAOYSA-N 2 2 335.496 1.104 20 0 EDADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000574209058 448817855 /nfs/dbraw/zinc/81/78/55/448817855.db2.gz RLTRHXDQHDKEAN-UHFFFAOYSA-N 2 2 335.496 1.104 20 0 EDADLP CN(CCCN(C)C(=O)Cn1c[nH+]c2c1CCCC2)CC[NH+](C)C ZINC000574209058 448817861 /nfs/dbraw/zinc/81/78/61/448817861.db2.gz RLTRHXDQHDKEAN-UHFFFAOYSA-N 2 2 335.496 1.104 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529329357 448827992 /nfs/dbraw/zinc/82/79/92/448827992.db2.gz ZGARTPJUNPEQGQ-MRXNPFEDSA-N 2 2 348.447 1.390 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN([C@@H](C)c3nccc(N)n3)CC2)CC1 ZINC000579609271 448835910 /nfs/dbraw/zinc/83/59/10/448835910.db2.gz RSDYPAOWUIDGEP-HNNXBMFYSA-N 2 2 332.496 1.610 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)Cn1cc[nH+]c1 ZINC000579661798 448842913 /nfs/dbraw/zinc/84/29/13/448842913.db2.gz GBYWCUNERAENDV-AEFFLSMTSA-N 2 2 341.459 1.943 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)Cn1cc[nH+]c1 ZINC000579661798 448842915 /nfs/dbraw/zinc/84/29/15/448842915.db2.gz GBYWCUNERAENDV-AEFFLSMTSA-N 2 2 341.459 1.943 20 0 EDADLP COc1c(N)[nH+]cnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000568243873 448843326 /nfs/dbraw/zinc/84/33/26/448843326.db2.gz RTFPLSNAFWXVLZ-UHFFFAOYSA-N 2 2 329.404 1.268 20 0 EDADLP CC[C@@H](C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000568338642 448855647 /nfs/dbraw/zinc/85/56/47/448855647.db2.gz UJWPBMGAGPHFMI-OKZBNKHCSA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@@H](C(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000568338642 448855649 /nfs/dbraw/zinc/85/56/49/448855649.db2.gz UJWPBMGAGPHFMI-OKZBNKHCSA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@@H](C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000568338642 448855652 /nfs/dbraw/zinc/85/56/52/448855652.db2.gz UJWPBMGAGPHFMI-OKZBNKHCSA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@@H](C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000568338642 448855659 /nfs/dbraw/zinc/85/56/59/448855659.db2.gz UJWPBMGAGPHFMI-OKZBNKHCSA-N 2 2 331.460 1.438 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c[nH+]1 ZINC000519826493 448853995 /nfs/dbraw/zinc/85/39/95/448853995.db2.gz USJNVIFSJCQBGP-CQSZACIVSA-N 2 2 333.823 1.940 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000574411712 448869106 /nfs/dbraw/zinc/86/91/06/448869106.db2.gz PDZYCUDXEAMYFQ-INIZCTEOSA-N 3 2 336.524 1.345 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000592530040 448881068 /nfs/dbraw/zinc/88/10/68/448881068.db2.gz UTZOUJOZHMIPEK-UHFFFAOYSA-N 2 2 341.415 1.885 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOc2cccc(F)c2)C[C@H](C)O1 ZINC000568620207 448896540 /nfs/dbraw/zinc/89/65/40/448896540.db2.gz DLKBAFFFLMJECF-IJEWVQPXSA-N 2 2 326.412 1.264 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOc2cccc(F)c2)C[C@H](C)O1 ZINC000568620207 448896544 /nfs/dbraw/zinc/89/65/44/448896544.db2.gz DLKBAFFFLMJECF-IJEWVQPXSA-N 2 2 326.412 1.264 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000574529762 448897302 /nfs/dbraw/zinc/89/73/02/448897302.db2.gz ZWKIFMGIGQJLMW-KRWDZBQOSA-N 3 2 336.524 1.395 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000574529762 448897307 /nfs/dbraw/zinc/89/73/07/448897307.db2.gz ZWKIFMGIGQJLMW-KRWDZBQOSA-N 3 2 336.524 1.395 20 0 EDADLP COC[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000579885663 448901435 /nfs/dbraw/zinc/90/14/35/448901435.db2.gz DLPIJHQNFKKXIR-JKSUJKDBSA-N 2 2 334.464 1.379 20 0 EDADLP COCC[N@H+](C)CC[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC000520781931 448929129 /nfs/dbraw/zinc/92/91/29/448929129.db2.gz VTLJVPCDBHBZNU-SFHVURJKSA-N 2 2 344.459 1.788 20 0 EDADLP COCC[N@@H+](C)CC[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC000520781931 448929133 /nfs/dbraw/zinc/92/91/33/448929133.db2.gz VTLJVPCDBHBZNU-SFHVURJKSA-N 2 2 344.459 1.788 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000574702872 448937500 /nfs/dbraw/zinc/93/75/00/448937500.db2.gz IKXKUSXMIVCTFO-UHFFFAOYSA-N 2 2 329.404 1.662 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000589650052 449046340 /nfs/dbraw/zinc/04/63/40/449046340.db2.gz WJRFTYXQEMZWEZ-QGZVFWFLSA-N 2 2 329.448 1.595 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000589650052 449046342 /nfs/dbraw/zinc/04/63/42/449046342.db2.gz WJRFTYXQEMZWEZ-QGZVFWFLSA-N 2 2 329.448 1.595 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589650052 449046345 /nfs/dbraw/zinc/04/63/45/449046345.db2.gz WJRFTYXQEMZWEZ-QGZVFWFLSA-N 2 2 329.448 1.595 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589650052 449046347 /nfs/dbraw/zinc/04/63/47/449046347.db2.gz WJRFTYXQEMZWEZ-QGZVFWFLSA-N 2 2 329.448 1.595 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)[nH+]c12 ZINC000530290601 449105562 /nfs/dbraw/zinc/10/55/62/449105562.db2.gz BFTLSQWAUSSXMJ-GJZGRUSLSA-N 2 2 330.432 1.099 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)[nH+]c12 ZINC000530290601 449105565 /nfs/dbraw/zinc/10/55/65/449105565.db2.gz BFTLSQWAUSSXMJ-GJZGRUSLSA-N 2 2 330.432 1.099 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604169431 449184178 /nfs/dbraw/zinc/18/41/78/449184178.db2.gz VZSUCTYJRPWJSV-OAHLLOKOSA-N 2 2 329.448 1.718 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604169431 449184183 /nfs/dbraw/zinc/18/41/83/449184183.db2.gz VZSUCTYJRPWJSV-OAHLLOKOSA-N 2 2 329.448 1.718 20 0 EDADLP CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604210127 449194004 /nfs/dbraw/zinc/19/40/04/449194004.db2.gz WLGFECXZFPTPAJ-HDMKZQKVSA-N 2 2 340.512 1.251 20 0 EDADLP CC[C@H](C)[C@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604210127 449194007 /nfs/dbraw/zinc/19/40/07/449194007.db2.gz WLGFECXZFPTPAJ-HDMKZQKVSA-N 2 2 340.512 1.251 20 0 EDADLP CC(C)OC(=O)C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000593902396 449273729 /nfs/dbraw/zinc/27/37/29/449273729.db2.gz SHABQMZSJFAYHU-CVEARBPZSA-N 2 2 335.448 1.465 20 0 EDADLP COC(=O)[C@H](CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000593979087 449311342 /nfs/dbraw/zinc/31/13/42/449311342.db2.gz FVUCQLRCPKRELP-MRXNPFEDSA-N 2 2 328.416 1.879 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000596179690 449399602 /nfs/dbraw/zinc/39/96/02/449399602.db2.gz OOCAMGFHTBVHIX-NVXWUHKLSA-N 2 2 346.475 1.259 20 0 EDADLP C[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602197720 449425613 /nfs/dbraw/zinc/42/56/13/449425613.db2.gz WPOUCEZOIYXMAP-HUUCEWRRSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602197720 449425618 /nfs/dbraw/zinc/42/56/18/449425618.db2.gz WPOUCEZOIYXMAP-HUUCEWRRSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C1CC[NH+](C)CC1 ZINC000606642800 449497297 /nfs/dbraw/zinc/49/72/97/449497297.db2.gz YOYBNWBCRCVJAS-CQSZACIVSA-N 2 2 333.480 1.791 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607346336 449599600 /nfs/dbraw/zinc/59/96/00/449599600.db2.gz TWALVCZXNFVTEX-QXAKKESOSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607346336 449599608 /nfs/dbraw/zinc/59/96/08/449599608.db2.gz TWALVCZXNFVTEX-QXAKKESOSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607346336 449599615 /nfs/dbraw/zinc/59/96/15/449599615.db2.gz TWALVCZXNFVTEX-QXAKKESOSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607346336 449599622 /nfs/dbraw/zinc/59/96/22/449599622.db2.gz TWALVCZXNFVTEX-QXAKKESOSA-N 2 2 345.487 1.876 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504920 449649467 /nfs/dbraw/zinc/64/94/67/449649467.db2.gz PIYHWHMPWTYVSW-HNNXBMFYSA-N 3 2 345.491 1.733 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504920 449649474 /nfs/dbraw/zinc/64/94/74/449649474.db2.gz PIYHWHMPWTYVSW-HNNXBMFYSA-N 3 2 345.491 1.733 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1coc2c1C(=O)CCC2 ZINC000617508077 449657683 /nfs/dbraw/zinc/65/76/83/449657683.db2.gz UGSIXLSSDAUIND-ZDUSSCGKSA-N 2 2 335.448 1.800 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1coc2c1C(=O)CCC2 ZINC000617508077 449657692 /nfs/dbraw/zinc/65/76/92/449657692.db2.gz UGSIXLSSDAUIND-ZDUSSCGKSA-N 2 2 335.448 1.800 20 0 EDADLP CCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H]1CC[N@H+](C)C1 ZINC000617552487 449681694 /nfs/dbraw/zinc/68/16/94/449681694.db2.gz OXVYJJVCKRTEIQ-LBPRGKRZSA-N 2 2 330.436 1.201 20 0 EDADLP CCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H]1CC[N@@H+](C)C1 ZINC000617552487 449681701 /nfs/dbraw/zinc/68/17/01/449681701.db2.gz OXVYJJVCKRTEIQ-LBPRGKRZSA-N 2 2 330.436 1.201 20 0 EDADLP Cc1cccn2c(C[NH2+][C@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)c[nH+]c12 ZINC000608075599 449742554 /nfs/dbraw/zinc/74/25/54/449742554.db2.gz NOUGLVKHTJCJOR-BBRMVZONSA-N 2 2 338.415 1.660 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCOc3cccnc3)C2)CC1 ZINC000608133734 449760349 /nfs/dbraw/zinc/76/03/49/449760349.db2.gz HMFVGYQPJCVVRR-MRXNPFEDSA-N 2 2 346.475 1.525 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCOc3cccnc3)C2)CC1 ZINC000608133734 449760355 /nfs/dbraw/zinc/76/03/55/449760355.db2.gz HMFVGYQPJCVVRR-MRXNPFEDSA-N 2 2 346.475 1.525 20 0 EDADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000594925935 449810472 /nfs/dbraw/zinc/81/04/72/449810472.db2.gz QHAPKHLKNMWBBW-FHLIZLRMSA-N 2 2 332.444 1.806 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Br)cn1 ZINC000617766270 449828914 /nfs/dbraw/zinc/82/89/14/449828914.db2.gz DONWVEPGNSIZER-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Br)cn1 ZINC000617766270 449828919 /nfs/dbraw/zinc/82/89/19/449828919.db2.gz DONWVEPGNSIZER-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768058 449832922 /nfs/dbraw/zinc/83/29/22/449832922.db2.gz NPSNICUNYRTIJC-PBHICJAKSA-N 2 2 335.448 1.215 20 0 EDADLP C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768058 449832926 /nfs/dbraw/zinc/83/29/26/449832926.db2.gz NPSNICUNYRTIJC-PBHICJAKSA-N 2 2 335.448 1.215 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1cccc(Cl)c1 ZINC000617768391 449833137 /nfs/dbraw/zinc/83/31/37/449833137.db2.gz AJNMBECYXULRDI-UHFFFAOYSA-N 2 2 327.856 1.719 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1cccc(Cl)c1 ZINC000617768391 449833139 /nfs/dbraw/zinc/83/31/39/449833139.db2.gz AJNMBECYXULRDI-UHFFFAOYSA-N 2 2 327.856 1.719 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000617768133 449834260 /nfs/dbraw/zinc/83/42/60/449834260.db2.gz QIKDSFPERBPOAY-UHFFFAOYSA-N 2 2 332.448 1.185 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000617768133 449834264 /nfs/dbraw/zinc/83/42/64/449834264.db2.gz QIKDSFPERBPOAY-UHFFFAOYSA-N 2 2 332.448 1.185 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335198 449843857 /nfs/dbraw/zinc/84/38/57/449843857.db2.gz RJTDRISGYJDEGK-WBVHZDCISA-N 2 2 345.443 1.876 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601335198 449843858 /nfs/dbraw/zinc/84/38/58/449843858.db2.gz RJTDRISGYJDEGK-WBVHZDCISA-N 2 2 345.443 1.876 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCSc3ccc(F)cc3F)CCN2C1=O ZINC000594876405 449790116 /nfs/dbraw/zinc/79/01/16/449790116.db2.gz XZNSXCXJOVPVMG-AAEUAGOBSA-N 2 2 327.400 1.301 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCSc3ccc(F)cc3F)CCN2C1=O ZINC000594876405 449790120 /nfs/dbraw/zinc/79/01/20/449790120.db2.gz XZNSXCXJOVPVMG-AAEUAGOBSA-N 2 2 327.400 1.301 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC[N@@H+]1C ZINC000608488908 449856471 /nfs/dbraw/zinc/85/64/71/449856471.db2.gz DLRKUBNTCBXUHP-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC[N@H+]1C ZINC000608488908 449856472 /nfs/dbraw/zinc/85/64/72/449856472.db2.gz DLRKUBNTCBXUHP-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000615109195 449961302 /nfs/dbraw/zinc/96/13/02/449961302.db2.gz RITQDHKGCQEAAB-CRAIPNDOSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000615109195 449961309 /nfs/dbraw/zinc/96/13/09/449961309.db2.gz RITQDHKGCQEAAB-CRAIPNDOSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612965538 449961946 /nfs/dbraw/zinc/96/19/46/449961946.db2.gz ZQZZFXKPVRRLTL-HNNXBMFYSA-N 2 2 329.448 1.623 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157616 449970696 /nfs/dbraw/zinc/97/06/96/449970696.db2.gz KMZAFPXOFZUIBE-PMPSAXMXSA-N 2 2 347.463 1.925 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157616 449970701 /nfs/dbraw/zinc/97/07/01/449970701.db2.gz KMZAFPXOFZUIBE-PMPSAXMXSA-N 2 2 347.463 1.925 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000595348040 450061193 /nfs/dbraw/zinc/06/11/93/450061193.db2.gz XOJMUWIOQDHMLY-OAHLLOKOSA-N 2 2 348.447 1.463 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)C1 ZINC000609672758 450082471 /nfs/dbraw/zinc/08/24/71/450082471.db2.gz RTHMWZLKZWGAFJ-SBUREZEXSA-N 2 2 335.517 1.506 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](CC[S@](=O)c3ccccc3)CC2)C1 ZINC000609672758 450082479 /nfs/dbraw/zinc/08/24/79/450082479.db2.gz RTHMWZLKZWGAFJ-SBUREZEXSA-N 2 2 335.517 1.506 20 0 EDADLP CCOC(=O)C1CC[NH+](Cc2cn(Cc3ccc[nH+]c3N)nn2)CC1 ZINC000603252420 450181094 /nfs/dbraw/zinc/18/10/94/450181094.db2.gz AJDVUONHJGIPGS-UHFFFAOYSA-N 2 2 344.419 1.079 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@H]3CCCO3)CC2)CC1 ZINC000622945285 450343389 /nfs/dbraw/zinc/34/33/89/450343389.db2.gz AEYNEIOJGYFVBU-QGZVFWFLSA-N 2 2 338.496 1.413 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000623271049 450472103 /nfs/dbraw/zinc/47/21/03/450472103.db2.gz RJZOKNCBNKPNOF-JKSUJKDBSA-N 2 2 325.416 1.231 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000623271049 450472108 /nfs/dbraw/zinc/47/21/08/450472108.db2.gz RJZOKNCBNKPNOF-JKSUJKDBSA-N 2 2 325.416 1.231 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000623304492 450489555 /nfs/dbraw/zinc/48/95/55/450489555.db2.gz ZTGVRDFJZIDJHH-ANQUJSFKSA-N 2 2 334.464 1.448 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000620770696 450541105 /nfs/dbraw/zinc/54/11/05/450541105.db2.gz TXQMRMVJKKYBSQ-MRXNPFEDSA-N 2 2 348.410 1.667 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000620770696 450541106 /nfs/dbraw/zinc/54/11/06/450541106.db2.gz TXQMRMVJKKYBSQ-MRXNPFEDSA-N 2 2 348.410 1.667 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000625968669 450546229 /nfs/dbraw/zinc/54/62/29/450546229.db2.gz YQXLXFIBCIPYJQ-IAGOWNOFSA-N 2 2 348.491 1.713 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H](C)CC[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000623720027 450572055 /nfs/dbraw/zinc/57/20/55/450572055.db2.gz SMRBKMQRTHJLRN-ZDUSSCGKSA-N 2 2 336.484 1.960 20 0 EDADLP CC[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H](C)[NH2+]1 ZINC000620901933 450557374 /nfs/dbraw/zinc/55/73/74/450557374.db2.gz DITSZQATQGFFGU-GOEBONIOSA-N 2 2 333.480 1.231 20 0 EDADLP OCCOC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC(F)(F)CC1 ZINC000623638238 450557721 /nfs/dbraw/zinc/55/77/21/450557721.db2.gz ZTOHZZFZNICGFW-UHFFFAOYSA-N 2 2 329.391 1.876 20 0 EDADLP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000620907463 450559285 /nfs/dbraw/zinc/55/92/85/450559285.db2.gz QLHAQRYBVKRSKI-JKSUJKDBSA-N 2 2 346.475 1.547 20 0 EDADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000623759534 450579011 /nfs/dbraw/zinc/57/90/11/450579011.db2.gz PEPIRLFERQJJSC-UONOGXRCSA-N 2 2 339.277 1.963 20 0 EDADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000623759534 450579013 /nfs/dbraw/zinc/57/90/13/450579013.db2.gz PEPIRLFERQJJSC-UONOGXRCSA-N 2 2 339.277 1.963 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)CC2 ZINC000626138578 450581706 /nfs/dbraw/zinc/58/17/06/450581706.db2.gz ATVBZRWTQAWAMM-ZACQAIPSSA-N 2 2 346.475 1.514 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000623799805 450591800 /nfs/dbraw/zinc/59/18/00/450591800.db2.gz NSXKMMXLEALOGJ-HOTGVXAUSA-N 2 2 331.464 1.691 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000623799805 450591807 /nfs/dbraw/zinc/59/18/07/450591807.db2.gz NSXKMMXLEALOGJ-HOTGVXAUSA-N 2 2 331.464 1.691 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CCNC(=O)NC(C)C)CC1 ZINC000626089149 450573289 /nfs/dbraw/zinc/57/32/89/450573289.db2.gz CINZEAFCCCZRRC-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623999755 450666362 /nfs/dbraw/zinc/66/63/62/450666362.db2.gz AWYYJPQPYGURBV-ZDUSSCGKSA-N 2 2 349.389 1.248 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633091083 450675437 /nfs/dbraw/zinc/67/54/37/450675437.db2.gz HCWWBXMLUDBUOK-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633091083 450675442 /nfs/dbraw/zinc/67/54/42/450675442.db2.gz HCWWBXMLUDBUOK-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000631672697 450706073 /nfs/dbraw/zinc/70/60/73/450706073.db2.gz KFJNKVUPANRTHH-UHFFFAOYSA-N 2 2 343.518 1.290 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000631678944 450709794 /nfs/dbraw/zinc/70/97/94/450709794.db2.gz PFYWJGGBYLSGKF-MRXNPFEDSA-N 2 2 337.489 1.399 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000631678944 450709801 /nfs/dbraw/zinc/70/98/01/450709801.db2.gz PFYWJGGBYLSGKF-MRXNPFEDSA-N 2 2 337.489 1.399 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(c2nc3ccccc3n3c[nH+]cc23)[C@H](C)C1 ZINC000624118172 450713651 /nfs/dbraw/zinc/71/36/51/450713651.db2.gz ATUXXOONISZRHL-KGLIPLIRSA-N 2 2 325.416 1.774 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(c2nc3ccccc3n3c[nH+]cc23)[C@H](C)C1 ZINC000624118172 450713656 /nfs/dbraw/zinc/71/36/56/450713656.db2.gz ATUXXOONISZRHL-KGLIPLIRSA-N 2 2 325.416 1.774 20 0 EDADLP CS(=O)(=O)c1ccc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000629550475 450730667 /nfs/dbraw/zinc/73/06/67/450730667.db2.gz NXKCYXBDYSCUDA-RHSMWYFYSA-N 2 2 338.473 1.463 20 0 EDADLP CS(=O)(=O)c1ccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)cc1 ZINC000629550475 450730670 /nfs/dbraw/zinc/73/06/70/450730670.db2.gz NXKCYXBDYSCUDA-RHSMWYFYSA-N 2 2 338.473 1.463 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629598960 450756586 /nfs/dbraw/zinc/75/65/86/450756586.db2.gz YLMDAIZUBXWTHN-ZMYBRWDISA-N 2 2 331.460 1.631 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629598960 450756588 /nfs/dbraw/zinc/75/65/88/450756588.db2.gz YLMDAIZUBXWTHN-ZMYBRWDISA-N 2 2 331.460 1.631 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCC[N@H+]1CCCO ZINC000633252794 450758523 /nfs/dbraw/zinc/75/85/23/450758523.db2.gz RKWAPVJXHJTELV-GOSISDBHSA-N 2 2 342.443 1.378 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000633252794 450758527 /nfs/dbraw/zinc/75/85/27/450758527.db2.gz RKWAPVJXHJTELV-GOSISDBHSA-N 2 2 342.443 1.378 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000635217734 450761153 /nfs/dbraw/zinc/76/11/53/450761153.db2.gz SWVUCKHJZFGOPZ-FUHWJXTLSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000635217734 450761159 /nfs/dbraw/zinc/76/11/59/450761159.db2.gz SWVUCKHJZFGOPZ-FUHWJXTLSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629616772 450763330 /nfs/dbraw/zinc/76/33/30/450763330.db2.gz ASSVUUCSLGVSLR-ZWKOTPCHSA-N 2 2 331.460 1.222 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629616772 450763334 /nfs/dbraw/zinc/76/33/34/450763334.db2.gz ASSVUUCSLGVSLR-ZWKOTPCHSA-N 2 2 331.460 1.222 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000626667118 450841923 /nfs/dbraw/zinc/84/19/23/450841923.db2.gz KEPPGZSCOBVUSQ-CVEARBPZSA-N 2 2 334.464 1.371 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000626667118 450841925 /nfs/dbraw/zinc/84/19/25/450841925.db2.gz KEPPGZSCOBVUSQ-CVEARBPZSA-N 2 2 334.464 1.371 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863787 450833320 /nfs/dbraw/zinc/83/33/20/450833320.db2.gz FKKOBWOQEWSBGO-INIZCTEOSA-N 2 2 333.476 1.089 20 0 EDADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865065 450834230 /nfs/dbraw/zinc/83/42/30/450834230.db2.gz YLJYQPZZFYWIIL-CYBMUJFWSA-N 2 2 337.489 1.068 20 0 EDADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NCCCOc1ccccc1F ZINC000631869147 450837296 /nfs/dbraw/zinc/83/72/96/450837296.db2.gz UGBMOSQQTMQYEI-KDOFPFPSSA-N 2 2 335.423 1.443 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000626662238 450839333 /nfs/dbraw/zinc/83/93/33/450839333.db2.gz FFZZNUMPYFALJU-KRWDZBQOSA-N 2 2 344.484 1.925 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000626662238 450839341 /nfs/dbraw/zinc/83/93/41/450839341.db2.gz FFZZNUMPYFALJU-KRWDZBQOSA-N 2 2 344.484 1.925 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887101 450848378 /nfs/dbraw/zinc/84/83/78/450848378.db2.gz NVWLZKFVFAPBCC-UXLLHSPISA-N 2 2 331.460 1.946 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887101 450848383 /nfs/dbraw/zinc/84/83/83/450848383.db2.gz NVWLZKFVFAPBCC-UXLLHSPISA-N 2 2 331.460 1.946 20 0 EDADLP CN(CCOCC[NH3+])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000626929143 451012637 /nfs/dbraw/zinc/01/26/37/451012637.db2.gz HWAUEUGRBSNRIQ-UHFFFAOYSA-N 2 2 325.800 1.104 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635540004 451035640 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EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632147795 451072647 /nfs/dbraw/zinc/07/26/47/451072647.db2.gz BJUQAOFLUIOLQI-KRWDZBQOSA-N 2 2 337.489 1.578 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633896470 451080568 /nfs/dbraw/zinc/08/05/68/451080568.db2.gz NDRFORULRTZQDM-UHFFFAOYSA-N 2 2 340.427 1.811 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000635611915 451104757 /nfs/dbraw/zinc/10/47/57/451104757.db2.gz PIMCYRRYKPISBG-RBSFLKMASA-N 2 2 332.448 1.663 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000635611915 451104758 /nfs/dbraw/zinc/10/47/58/451104758.db2.gz PIMCYRRYKPISBG-RBSFLKMASA-N 2 2 332.448 1.663 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000635693935 451177055 /nfs/dbraw/zinc/17/70/55/451177055.db2.gz FIUVZAPQDOJYJC-HZPDHXFCSA-N 2 2 334.464 1.766 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C[NH2+]1 ZINC000627200766 451184006 /nfs/dbraw/zinc/18/40/06/451184006.db2.gz CEDIODJMJFIMSH-PBHICJAKSA-N 2 2 334.439 1.793 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCn4ccnc4C3)c2)CC1 ZINC000634194872 451231833 /nfs/dbraw/zinc/23/18/33/451231833.db2.gz XFQMESVOCQNTOV-AWEZNQCLSA-N 2 2 340.431 1.231 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCn4cc[nH+]c4C3)c2)CC1 ZINC000634194872 451231838 /nfs/dbraw/zinc/23/18/38/451231838.db2.gz XFQMESVOCQNTOV-AWEZNQCLSA-N 3 2 340.431 1.231 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(=O)Nc3ccccc3)c2)CC1 ZINC000634195110 451232489 /nfs/dbraw/zinc/23/24/89/451232489.db2.gz RWCQUTOODPPEOL-UHFFFAOYSA-N 2 2 339.399 1.411 20 0 EDADLP CC(=O)N1CC[C@@](C)(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000634196258 451234419 /nfs/dbraw/zinc/23/44/19/451234419.db2.gz RMHWZFFOTLMVKG-GOSISDBHSA-N 2 2 345.447 1.030 20 0 EDADLP c1cn(-c2cc(N3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ncn2)c[nH+]1 ZINC000630544760 451240452 /nfs/dbraw/zinc/24/04/52/451240452.db2.gz HJUXZKHDGCEKPW-OAHLLOKOSA-N 2 2 328.420 1.257 20 0 EDADLP COc1cncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000625262952 451244153 /nfs/dbraw/zinc/24/41/53/451244153.db2.gz AYHAPEFZXMFFKC-SJPCQFCGSA-N 2 2 331.464 1.228 20 0 EDADLP COc1cncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000625262952 451244158 /nfs/dbraw/zinc/24/41/58/451244158.db2.gz AYHAPEFZXMFFKC-SJPCQFCGSA-N 2 2 331.464 1.228 20 0 EDADLP CC[NH2+]Cc1ccn(Cc2cn(Cc3cn4ccccc4[nH+]3)nn2)n1 ZINC000630601919 451271163 /nfs/dbraw/zinc/27/11/63/451271163.db2.gz PLTRQOPIQUSWKP-UHFFFAOYSA-N 2 2 336.403 1.328 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCn1cc(Sc2ccc(CO)cc2)nn1 ZINC000630609492 451274237 /nfs/dbraw/zinc/27/42/37/451274237.db2.gz BZAXYTWPLBKVHV-UHFFFAOYSA-N 2 2 349.504 1.805 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(Sc2ccc(CO)cc2)nn1 ZINC000630609492 451274241 /nfs/dbraw/zinc/27/42/41/451274241.db2.gz BZAXYTWPLBKVHV-UHFFFAOYSA-N 2 2 349.504 1.805 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000638116039 451284199 /nfs/dbraw/zinc/28/41/99/451284199.db2.gz CERWOUHOPBEXOJ-INIZCTEOSA-N 2 2 328.416 1.694 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000638116039 451284201 /nfs/dbraw/zinc/28/42/01/451284201.db2.gz CERWOUHOPBEXOJ-INIZCTEOSA-N 2 2 328.416 1.694 20 0 EDADLP Cc1cccc2c1C[C@H](C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)N2 ZINC000638116954 451285087 /nfs/dbraw/zinc/28/50/87/451285087.db2.gz MXIJDPVPCWHJEP-DNVCBOLYSA-N 2 2 342.487 1.616 20 0 EDADLP Cc1cccc2c1C[C@H](C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)N2 ZINC000638116954 451285089 /nfs/dbraw/zinc/28/50/89/451285089.db2.gz MXIJDPVPCWHJEP-DNVCBOLYSA-N 2 2 342.487 1.616 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636557989 451300836 /nfs/dbraw/zinc/30/08/36/451300836.db2.gz HMXHSXDPNNBHBV-AEFFLSMTSA-N 2 2 339.443 1.944 20 0 EDADLP C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000638135962 451308232 /nfs/dbraw/zinc/30/82/32/451308232.db2.gz FJHLRFMKEROUNY-CQSZACIVSA-N 2 2 326.448 1.398 20 0 EDADLP C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000638135962 451308238 /nfs/dbraw/zinc/30/82/38/451308238.db2.gz FJHLRFMKEROUNY-CQSZACIVSA-N 2 2 326.448 1.398 20 0 EDADLP COc1cncc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000638137179 451310902 /nfs/dbraw/zinc/31/09/02/451310902.db2.gz GSNOBOQEPMYEBN-QAPCUYQASA-N 2 2 332.492 1.856 20 0 EDADLP COc1cncc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000638137179 451310907 /nfs/dbraw/zinc/31/09/07/451310907.db2.gz GSNOBOQEPMYEBN-QAPCUYQASA-N 2 2 332.492 1.856 20 0 EDADLP CC(C)C1CCC([NH+]2CCN(Cc3c[nH+]c(N)nc3N)CC2)CC1 ZINC000638137687 451312920 /nfs/dbraw/zinc/31/29/20/451312920.db2.gz YXFDAOJSJBMOHG-UHFFFAOYSA-N 2 2 332.496 1.634 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635887519 451333402 /nfs/dbraw/zinc/33/34/02/451333402.db2.gz IXPNWIJIJCPYNQ-CQSZACIVSA-N 2 2 346.431 1.401 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)[nH+]1 ZINC000635910393 451353177 /nfs/dbraw/zinc/35/31/77/451353177.db2.gz ZVYZDIBEOZXXBB-KRWDZBQOSA-N 2 2 326.444 1.900 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)[nH+]1 ZINC000635910393 451353184 /nfs/dbraw/zinc/35/31/84/451353184.db2.gz ZVYZDIBEOZXXBB-KRWDZBQOSA-N 2 2 326.444 1.900 20 0 EDADLP COCC1(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC[NH2+]CC1 ZINC000638225540 451367127 /nfs/dbraw/zinc/36/71/27/451367127.db2.gz ZXNULKYTVWSCBO-GFCCVEGCSA-N 2 2 348.369 1.509 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000635929192 451372326 /nfs/dbraw/zinc/37/23/26/451372326.db2.gz RXHDOHUIJMOXFZ-AVGNSLFASA-N 2 2 346.353 1.044 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000635929192 451372331 /nfs/dbraw/zinc/37/23/31/451372331.db2.gz RXHDOHUIJMOXFZ-AVGNSLFASA-N 2 2 346.353 1.044 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638242282 451376317 /nfs/dbraw/zinc/37/63/17/451376317.db2.gz WSJCVKKQYORJGQ-MRXNPFEDSA-N 2 2 325.416 1.196 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ncnn3C)cc2)C[C@H](C)O1 ZINC000638335790 451440300 /nfs/dbraw/zinc/44/03/00/451440300.db2.gz TYCKFBXIFWQFCE-GASCZTMLSA-N 2 2 329.448 1.714 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[NH+]2CCCC2)o1 ZINC000636697059 451423197 /nfs/dbraw/zinc/42/31/97/451423197.db2.gz AGBXSZPGSLPLQV-GOEBONIOSA-N 2 2 343.431 1.846 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ncnn3C)cc2)C[C@H](C)O1 ZINC000638335790 451440303 /nfs/dbraw/zinc/44/03/03/451440303.db2.gz TYCKFBXIFWQFCE-GASCZTMLSA-N 2 2 329.448 1.714 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000638325880 451434516 /nfs/dbraw/zinc/43/45/16/451434516.db2.gz LIQSEQSCKGJANL-LSDHHAIUSA-N 2 2 332.448 1.660 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccnc(C[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000640608577 451455611 /nfs/dbraw/zinc/45/56/11/451455611.db2.gz WOMRYBWQGJMSNX-AWEZNQCLSA-N 2 2 335.452 1.233 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC(C)([NH+]3CCOCC3)CC1)CC2 ZINC000628904709 451466450 /nfs/dbraw/zinc/46/64/50/451466450.db2.gz RFTRAVHENPIBGB-MRXNPFEDSA-N 2 2 346.475 1.467 20 0 EDADLP COCCOc1ncccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638369531 451467282 /nfs/dbraw/zinc/46/72/82/451467282.db2.gz RYDDQDVOUBINSK-UHFFFAOYSA-N 2 2 337.464 1.432 20 0 EDADLP O[C@@]1(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634714383 451494626 /nfs/dbraw/zinc/49/46/26/451494626.db2.gz KQAPSLXRQOYVSH-VQIMIIECSA-N 3 2 326.444 1.494 20 0 EDADLP O[C@@]1(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634714383 451494633 /nfs/dbraw/zinc/49/46/33/451494633.db2.gz KQAPSLXRQOYVSH-VQIMIIECSA-N 3 2 326.444 1.494 20 0 EDADLP O[C@@]1(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634714383 451494636 /nfs/dbraw/zinc/49/46/36/451494636.db2.gz KQAPSLXRQOYVSH-VQIMIIECSA-N 3 2 326.444 1.494 20 0 EDADLP O[C@@]1(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634714383 451494641 /nfs/dbraw/zinc/49/46/41/451494641.db2.gz KQAPSLXRQOYVSH-VQIMIIECSA-N 3 2 326.444 1.494 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](O)C(C)(C)CC)CC2)CC1 ZINC000636054408 451470072 /nfs/dbraw/zinc/47/00/72/451470072.db2.gz YMYICFKMLLKZEO-QGZVFWFLSA-N 2 2 339.524 1.802 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](O)C(C)(C)CC)CC2)CC1 ZINC000636054408 451470076 /nfs/dbraw/zinc/47/00/76/451470076.db2.gz YMYICFKMLLKZEO-QGZVFWFLSA-N 2 2 339.524 1.802 20 0 EDADLP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634700646 451474722 /nfs/dbraw/zinc/47/47/22/451474722.db2.gz CXILVSQLHQPYIH-UXHICEINSA-N 3 2 331.504 1.945 20 0 EDADLP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634700646 451474727 /nfs/dbraw/zinc/47/47/27/451474727.db2.gz CXILVSQLHQPYIH-UXHICEINSA-N 3 2 331.504 1.945 20 0 EDADLP CCC[NH+]1CC[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634700646 451474730 /nfs/dbraw/zinc/47/47/30/451474730.db2.gz CXILVSQLHQPYIH-UXHICEINSA-N 3 2 331.504 1.945 20 0 EDADLP CCC[NH+]1CC[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634700646 451474734 /nfs/dbraw/zinc/47/47/34/451474734.db2.gz CXILVSQLHQPYIH-UXHICEINSA-N 3 2 331.504 1.945 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000638380877 451475472 /nfs/dbraw/zinc/47/54/72/451475472.db2.gz GUVVIIUFZFJUBO-CYBMUJFWSA-N 2 2 348.369 1.604 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000628917926 451480226 /nfs/dbraw/zinc/48/02/26/451480226.db2.gz CEIXECMYVARDFQ-RBUKOAKNSA-N 2 2 345.487 1.388 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000628917926 451480229 /nfs/dbraw/zinc/48/02/29/451480229.db2.gz CEIXECMYVARDFQ-RBUKOAKNSA-N 2 2 345.487 1.388 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000628917926 451480232 /nfs/dbraw/zinc/48/02/32/451480232.db2.gz CEIXECMYVARDFQ-RBUKOAKNSA-N 2 2 345.487 1.388 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000628917926 451480236 /nfs/dbraw/zinc/48/02/36/451480236.db2.gz CEIXECMYVARDFQ-RBUKOAKNSA-N 2 2 345.487 1.388 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000634711260 451490816 /nfs/dbraw/zinc/49/08/16/451490816.db2.gz LYVZCWRYXRMGBF-JQHSSLGASA-N 2 2 336.476 1.560 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000640599781 451444674 /nfs/dbraw/zinc/44/46/74/451444674.db2.gz GYAUNLJKATWIEO-OAHLLOKOSA-N 2 2 347.463 1.724 20 0 EDADLP CCc1c[nH]c(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)[nH+]1 ZINC000638411558 451497046 /nfs/dbraw/zinc/49/70/46/451497046.db2.gz JMNWDAGPIWZEOY-IAGOWNOFSA-N 2 2 342.443 1.785 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000630945245 451501918 /nfs/dbraw/zinc/50/19/18/451501918.db2.gz GYRPRBICLQWVCM-QZTJIDSGSA-N 2 2 340.427 1.748 20 0 EDADLP CC[C@@]1(O)CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636791863 451512352 /nfs/dbraw/zinc/51/23/52/451512352.db2.gz MZCHLQLBBXWJCH-MAUKXSAKSA-N 2 2 338.496 1.101 20 0 EDADLP CC[C@@]1(O)CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000636791863 451512357 /nfs/dbraw/zinc/51/23/57/451512357.db2.gz MZCHLQLBBXWJCH-MAUKXSAKSA-N 2 2 338.496 1.101 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1(C)C ZINC000636094774 451512900 /nfs/dbraw/zinc/51/29/00/451512900.db2.gz WSQOUHKMSHFDLI-SJORKVTESA-N 2 2 346.475 1.372 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C2 ZINC000634742646 451520236 /nfs/dbraw/zinc/52/02/36/451520236.db2.gz SDNPIAFRSIFRBI-BGYRXZFFSA-N 2 2 338.455 1.932 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)CC1 ZINC000634751963 451526578 /nfs/dbraw/zinc/52/65/78/451526578.db2.gz AZXRMGGTXQCUOP-CQSZACIVSA-N 2 2 333.423 1.331 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)CC1 ZINC000634751963 451526582 /nfs/dbraw/zinc/52/65/82/451526582.db2.gz AZXRMGGTXQCUOP-CQSZACIVSA-N 2 2 333.423 1.331 20 0 EDADLP COc1cc(Cl)c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000631054799 451557916 /nfs/dbraw/zinc/55/79/16/451557916.db2.gz VVXBJZQNYUZMQV-UHFFFAOYSA-N 2 2 341.839 1.221 20 0 EDADLP Cc1cc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)on1 ZINC000631056670 451559208 /nfs/dbraw/zinc/55/92/08/451559208.db2.gz NENPLNMPULRKPC-UHFFFAOYSA-N 2 2 329.404 1.207 20 0 EDADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)ccc1F ZINC000631073752 451569591 /nfs/dbraw/zinc/56/95/91/451569591.db2.gz OLABJRHONLSVHM-OAHLLOKOSA-N 2 2 347.438 1.805 20 0 EDADLP O[C@@H]1CC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631122385 451596461 /nfs/dbraw/zinc/59/64/61/451596461.db2.gz XVOLVHRUQKHJTD-ZWKOTPCHSA-N 2 2 334.460 1.648 20 0 EDADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631127655 451598556 /nfs/dbraw/zinc/59/85/56/451598556.db2.gz RGQIPNRKXBZJQC-QAPCUYQASA-N 2 2 347.459 1.012 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000636224545 451601527 /nfs/dbraw/zinc/60/15/27/451601527.db2.gz MJZUJNXXTFYXNC-UHFFFAOYSA-N 2 2 334.464 1.577 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)[nH+]1 ZINC000636230755 451606773 /nfs/dbraw/zinc/60/67/73/451606773.db2.gz NBKIMFIPWKXHJT-OAHLLOKOSA-N 2 2 334.464 1.616 20 0 EDADLP OC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCC1 ZINC000631170152 451621866 /nfs/dbraw/zinc/62/18/66/451621866.db2.gz NARYEEBOHMAPGW-LJQANCHMSA-N 2 2 334.460 1.648 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000638720830 451664783 /nfs/dbraw/zinc/66/47/83/451664783.db2.gz KSXHGMPITCAKLK-CJNGLKHVSA-N 2 2 326.448 1.444 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000638720830 451664786 /nfs/dbraw/zinc/66/47/86/451664786.db2.gz KSXHGMPITCAKLK-CJNGLKHVSA-N 2 2 326.448 1.444 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638653529 451633145 /nfs/dbraw/zinc/63/31/45/451633145.db2.gz LITZYJJDFXJFFI-WBVHZDCISA-N 3 2 339.528 1.314 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638653529 451633150 /nfs/dbraw/zinc/63/31/50/451633150.db2.gz LITZYJJDFXJFFI-WBVHZDCISA-N 3 2 339.528 1.314 20 0 EDADLP O=C1CC[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCN1 ZINC000634978385 451634011 /nfs/dbraw/zinc/63/40/11/451634011.db2.gz AWCVZPSQFZTIHT-MSOLQXFVSA-N 2 2 331.460 1.536 20 0 EDADLP O=C1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCN1 ZINC000634978385 451634013 /nfs/dbraw/zinc/63/40/13/451634013.db2.gz AWCVZPSQFZTIHT-MSOLQXFVSA-N 2 2 331.460 1.536 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000638659742 451637378 /nfs/dbraw/zinc/63/73/78/451637378.db2.gz ISMONHKENGXOJV-HUUCEWRRSA-N 2 2 332.510 1.167 20 0 EDADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632911056 451645144 /nfs/dbraw/zinc/64/51/44/451645144.db2.gz GTZOMFVFPIRCLE-GASCZTMLSA-N 2 2 341.415 1.930 20 0 EDADLP COc1cccc(-c2n[nH]cc2C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000635001059 451645419 /nfs/dbraw/zinc/64/54/19/451645419.db2.gz DNKGPGQZPIPANG-UHFFFAOYSA-N 2 2 330.432 1.632 20 0 EDADLP CN(C)c1[nH+]cc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1C ZINC000631230758 451652252 /nfs/dbraw/zinc/65/22/52/451652252.db2.gz VTHNFFGAVURANN-UHFFFAOYSA-N 3 2 329.452 1.245 20 0 EDADLP Cn1ncc(Br)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000635020167 451655580 /nfs/dbraw/zinc/65/55/80/451655580.db2.gz KQCCLEPMUASBFT-KGYLQXTDSA-N 2 2 343.269 1.429 20 0 EDADLP Cc1nc(N2CCC[C@@](O)(C[NH+](C)C)C2)c(Br)c(C)[nH+]1 ZINC000631344235 451703701 /nfs/dbraw/zinc/70/37/01/451703701.db2.gz MPPPDMUBHZKEHJ-CQSZACIVSA-N 2 2 343.269 1.749 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cnn4c3CCCC4)C2)CC1 ZINC000631259158 451667427 /nfs/dbraw/zinc/66/74/27/451667427.db2.gz LXNLGFCLQBOLSK-MRXNPFEDSA-N 2 2 345.491 1.047 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cnn4c3CCCC4)C2)CC1 ZINC000631259158 451667431 /nfs/dbraw/zinc/66/74/31/451667431.db2.gz LXNLGFCLQBOLSK-MRXNPFEDSA-N 2 2 345.491 1.047 20 0 EDADLP C[C@]([NH3+])(C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638984224 451746112 /nfs/dbraw/zinc/74/61/12/451746112.db2.gz KQERDEZIPMLUPO-GOSISDBHSA-N 3 2 325.416 1.304 20 0 EDADLP CN(C)c1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1F ZINC000638985463 451746401 /nfs/dbraw/zinc/74/64/01/451746401.db2.gz HXPLEFXOKSFGHR-UHFFFAOYSA-N 2 2 343.406 1.949 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@@H]1CO ZINC000639089296 451766250 /nfs/dbraw/zinc/76/62/50/451766250.db2.gz FPYGCUQHAXSFQQ-VQIMIIECSA-N 2 2 334.460 1.600 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@@H]1CO ZINC000639089296 451766253 /nfs/dbraw/zinc/76/62/53/451766253.db2.gz FPYGCUQHAXSFQQ-VQIMIIECSA-N 2 2 334.460 1.600 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641214923 451784175 /nfs/dbraw/zinc/78/41/75/451784175.db2.gz KNLDFSHIGCVOHB-QGZVFWFLSA-N 2 2 326.404 1.016 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641214923 451784178 /nfs/dbraw/zinc/78/41/78/451784178.db2.gz KNLDFSHIGCVOHB-QGZVFWFLSA-N 2 2 326.404 1.016 20 0 EDADLP CCC[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)OCC ZINC000637340799 451794514 /nfs/dbraw/zinc/79/45/14/451794514.db2.gz UZOQXOMGTWQDML-QGZVFWFLSA-N 2 2 342.528 1.859 20 0 EDADLP CCC[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)OCC ZINC000637340799 451794516 /nfs/dbraw/zinc/79/45/16/451794516.db2.gz UZOQXOMGTWQDML-QGZVFWFLSA-N 2 2 342.528 1.859 20 0 EDADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)c1cccc(F)c1 ZINC000641255946 451795231 /nfs/dbraw/zinc/79/52/31/451795231.db2.gz KHCYLYICMJBMQP-HNNXBMFYSA-N 2 2 340.424 1.245 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCC1CC[NH2+]CC1 ZINC000653272847 451808409 /nfs/dbraw/zinc/80/84/09/451808409.db2.gz DLCCYPZELNDNBW-UHFFFAOYSA-N 2 2 326.444 1.980 20 0 EDADLP CNC(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000644519063 451836914 /nfs/dbraw/zinc/83/69/14/451836914.db2.gz MCAVNVDXYZLBON-LJQANCHMSA-N 2 2 341.455 1.629 20 0 EDADLP CNC(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000644519063 451836916 /nfs/dbraw/zinc/83/69/16/451836916.db2.gz MCAVNVDXYZLBON-LJQANCHMSA-N 2 2 341.455 1.629 20 0 EDADLP CCN(C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000637413664 451842435 /nfs/dbraw/zinc/84/24/35/451842435.db2.gz WHUACMPNSDNCEX-OAHLLOKOSA-N 2 2 348.495 2.056 20 0 EDADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637439737 451854344 /nfs/dbraw/zinc/85/43/44/451854344.db2.gz ARWPZMVKSGYNPA-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637439737 451854348 /nfs/dbraw/zinc/85/43/48/451854348.db2.gz ARWPZMVKSGYNPA-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644548237 451855018 /nfs/dbraw/zinc/85/50/18/451855018.db2.gz WAWQASMRRJKRFQ-UONOGXRCSA-N 2 2 343.265 1.873 20 0 EDADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644548237 451855020 /nfs/dbraw/zinc/85/50/20/451855020.db2.gz WAWQASMRRJKRFQ-UONOGXRCSA-N 2 2 343.265 1.873 20 0 EDADLP CC(C)c1cc(NCC2([NH+](C)C)CC2)nc(NCC2([NH+](C)C)CC2)[nH+]1 ZINC000642310905 451858040 /nfs/dbraw/zinc/85/80/40/451858040.db2.gz WXMNYPXSYGEUIY-UHFFFAOYSA-N 3 2 346.523 1.456 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)nc(C(C)C)[nH+]1 ZINC000639445583 451871113 /nfs/dbraw/zinc/87/11/13/451871113.db2.gz AJOWXIZEAKPWGS-OAHLLOKOSA-N 2 2 341.463 1.809 20 0 EDADLP CC(=O)NC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639467228 451882204 /nfs/dbraw/zinc/88/22/04/451882204.db2.gz VSQUEATXRLGMTD-LJQANCHMSA-N 2 2 331.460 1.224 20 0 EDADLP CC(=O)NC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639467228 451882212 /nfs/dbraw/zinc/88/22/12/451882212.db2.gz VSQUEATXRLGMTD-LJQANCHMSA-N 2 2 331.460 1.224 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641319797 451841990 /nfs/dbraw/zinc/84/19/90/451841990.db2.gz VRRRCUILNJJLTR-CQSZACIVSA-N 2 2 339.505 1.683 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641319797 451841993 /nfs/dbraw/zinc/84/19/93/451841993.db2.gz VRRRCUILNJJLTR-CQSZACIVSA-N 2 2 339.505 1.683 20 0 EDADLP CC[C@@H](C)[NH+](C)CCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641319797 451841998 /nfs/dbraw/zinc/84/19/98/451841998.db2.gz VRRRCUILNJJLTR-CQSZACIVSA-N 2 2 339.505 1.683 20 0 EDADLP CC[C@@H](C)[NH+](C)CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641319797 451842002 /nfs/dbraw/zinc/84/20/02/451842002.db2.gz VRRRCUILNJJLTR-CQSZACIVSA-N 2 2 339.505 1.683 20 0 EDADLP O[C@@H](CNc1[nH+]cnc2[nH]c3ccccc3c21)C[NH+]1CCOCC1 ZINC000649226496 451917904 /nfs/dbraw/zinc/91/79/04/451917904.db2.gz SINHGWHKRNYDKZ-LBPRGKRZSA-N 2 2 327.388 1.216 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000644651009 451918663 /nfs/dbraw/zinc/91/86/63/451918663.db2.gz LFLUNKIFQINFDO-LSDHHAIUSA-N 2 2 329.400 1.499 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000644651009 451918666 /nfs/dbraw/zinc/91/86/66/451918666.db2.gz LFLUNKIFQINFDO-LSDHHAIUSA-N 2 2 329.400 1.499 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](c2ccccc2)C1 ZINC000649235109 451922744 /nfs/dbraw/zinc/92/27/44/451922744.db2.gz BMWNAWQIEANHIA-SCTDSRPQSA-N 2 2 338.455 1.907 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](c2ccccc2)C1 ZINC000649235109 451922748 /nfs/dbraw/zinc/92/27/48/451922748.db2.gz BMWNAWQIEANHIA-SCTDSRPQSA-N 2 2 338.455 1.907 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649279324 451950453 /nfs/dbraw/zinc/95/04/53/451950453.db2.gz GBBOUDGDSJDWGL-RHSMWYFYSA-N 2 2 333.432 1.018 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000649281204 451952576 /nfs/dbraw/zinc/95/25/76/451952576.db2.gz QMEMUQCJWNNCBJ-IBGZPJMESA-N 2 2 331.460 1.790 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)[C@]1([NH3+])CCN(C)C1)c1cccc(OC)c1 ZINC000649282868 451956451 /nfs/dbraw/zinc/95/64/51/451956451.db2.gz PFWZWTLCFDHRGL-HKUYNNGSSA-N 2 2 348.491 1.227 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)[C@]1([NH3+])CCN(C)C1)Cc1ccccc1 ZINC000649292627 451969741 /nfs/dbraw/zinc/96/97/41/451969741.db2.gz UFAITNCIPJBGII-MJGOQNOKSA-N 2 2 332.492 1.089 20 0 EDADLP [NH3+][C@H](C(=O)NCCCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000649294781 451971260 /nfs/dbraw/zinc/97/12/60/451971260.db2.gz BDKDKFMHPGCQTG-HNNXBMFYSA-N 2 2 325.840 1.568 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)CCO2)CC1 ZINC000649296151 451972683 /nfs/dbraw/zinc/97/26/83/451972683.db2.gz ILITWUNBIRLKRD-HOTGVXAUSA-N 2 2 331.451 1.760 20 0 EDADLP [NH3+][C@H]1CCCCN(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC000649303727 451980261 /nfs/dbraw/zinc/98/02/61/451980261.db2.gz XYQHCVLPIQZLGK-AWEZNQCLSA-N 2 2 345.378 1.290 20 0 EDADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1C[NH2+]CCOC1 ZINC000649305839 451983715 /nfs/dbraw/zinc/98/37/15/451983715.db2.gz GOBKCQZFAZIEOR-CQSZACIVSA-N 2 2 330.388 1.137 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000649308861 451986189 /nfs/dbraw/zinc/98/61/89/451986189.db2.gz CWCWTZILYDLLPA-QGZVFWFLSA-N 2 2 336.505 1.109 20 0 EDADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000649315123 451992446 /nfs/dbraw/zinc/99/24/46/451992446.db2.gz NCPOQLWTKSTIQA-CQSZACIVSA-N 2 2 337.387 1.673 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C(F)(F)F)c3)C2)CC1 ZINC000644795839 451995852 /nfs/dbraw/zinc/99/58/52/451995852.db2.gz LXSSCURKRUTQBC-LBPRGKRZSA-N 2 2 344.381 1.932 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C(F)(F)F)c3)C2)CC1 ZINC000644795839 451995857 /nfs/dbraw/zinc/99/58/57/451995857.db2.gz LXSSCURKRUTQBC-LBPRGKRZSA-N 2 2 344.381 1.932 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653544665 452006752 /nfs/dbraw/zinc/00/67/52/452006752.db2.gz GYOKTQMIIUPNBU-UHFFFAOYSA-N 2 2 344.459 1.856 20 0 EDADLP O[C@]1(C[N@@H+]2CCC[C@H](n3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639678674 452017130 /nfs/dbraw/zinc/01/71/30/452017130.db2.gz SRDPSHGDZLLOKN-OALUTQOASA-N 2 2 341.459 1.552 20 0 EDADLP O[C@]1(C[N@H+]2CCC[C@H](n3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639678674 452017134 /nfs/dbraw/zinc/01/71/34/452017134.db2.gz SRDPSHGDZLLOKN-OALUTQOASA-N 2 2 341.459 1.552 20 0 EDADLP O[C@]1(C[NH+]2CCC[C@H](n3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639678674 452017138 /nfs/dbraw/zinc/01/71/38/452017138.db2.gz SRDPSHGDZLLOKN-OALUTQOASA-N 2 2 341.459 1.552 20 0 EDADLP O[C@]1(C[NH+]2CCC[C@H](n3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639678674 452017144 /nfs/dbraw/zinc/01/71/44/452017144.db2.gz SRDPSHGDZLLOKN-OALUTQOASA-N 2 2 341.459 1.552 20 0 EDADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1C[NH+]1CCOCC1 ZINC000647055878 452032905 /nfs/dbraw/zinc/03/29/05/452032905.db2.gz JYNGNVZAEVWVOD-QGZVFWFLSA-N 2 2 329.444 1.391 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000643077552 452034085 /nfs/dbraw/zinc/03/40/85/452034085.db2.gz STUKTRZUSXNPLP-JJFYZRJRSA-N 2 2 339.430 1.988 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000653686962 452077525 /nfs/dbraw/zinc/07/75/25/452077525.db2.gz HEEDGPPWDNDHMC-CABCVRRESA-N 2 2 340.427 1.801 20 0 EDADLP C[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000649451232 452087814 /nfs/dbraw/zinc/08/78/14/452087814.db2.gz COLJFAXWEMCZTJ-DOTOQJQBSA-N 2 2 339.505 1.378 20 0 EDADLP C[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000649451232 452087821 /nfs/dbraw/zinc/08/78/21/452087821.db2.gz COLJFAXWEMCZTJ-DOTOQJQBSA-N 2 2 339.505 1.378 20 0 EDADLP C[NH+]1CCC2(CC[N@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000639756687 452096741 /nfs/dbraw/zinc/09/67/41/452096741.db2.gz BTYLGHIUJKUKJY-UHFFFAOYSA-N 2 2 348.472 1.426 20 0 EDADLP C[NH+]1CCC2(CC[N@@H+](CC3=Nc4ccccc4S(=O)(=O)N3)C2)CC1 ZINC000639756687 452096751 /nfs/dbraw/zinc/09/67/51/452096751.db2.gz BTYLGHIUJKUKJY-UHFFFAOYSA-N 2 2 348.472 1.426 20 0 EDADLP CCN1C[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1=O ZINC000649478149 452102421 /nfs/dbraw/zinc/10/24/21/452102421.db2.gz VQSDKZGWVWCFDF-GFCCVEGCSA-N 2 2 337.387 1.491 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000649480907 452103969 /nfs/dbraw/zinc/10/39/69/452103969.db2.gz YNTCWYORPAZUIA-UGUYLWEFSA-N 2 2 335.452 1.200 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C[C@@H](C)O1 ZINC000649492629 452110341 /nfs/dbraw/zinc/11/03/41/452110341.db2.gz FGEROBVQWYLYBL-PDCGBLAGSA-N 2 2 338.492 1.394 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCc2ccc3c(c2)OCCCO3)[C@H](C[NH3+])C1 ZINC000637864579 452122039 /nfs/dbraw/zinc/12/20/39/452122039.db2.gz UTSKUBIQVFZAKF-MRXNPFEDSA-N 2 2 347.459 1.272 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCc2ccc3c(c2)OCCCO3)[C@H](C[NH3+])C1 ZINC000637864579 452122042 /nfs/dbraw/zinc/12/20/42/452122042.db2.gz UTSKUBIQVFZAKF-MRXNPFEDSA-N 2 2 347.459 1.272 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CCN(C[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000649524934 452124816 /nfs/dbraw/zinc/12/48/16/452124816.db2.gz YCUWFZNDHWPSNY-GOSISDBHSA-N 2 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CCN(C[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000649524934 452124823 /nfs/dbraw/zinc/12/48/23/452124823.db2.gz YCUWFZNDHWPSNY-GOSISDBHSA-N 2 2 336.524 1.347 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCN3C)CC2)CC1 ZINC000649524934 452124828 /nfs/dbraw/zinc/12/48/28/452124828.db2.gz YCUWFZNDHWPSNY-GOSISDBHSA-N 2 2 336.524 1.347 20 0 EDADLP CC1([NH+]2CCCC2)CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641642474 452159421 /nfs/dbraw/zinc/15/94/21/452159421.db2.gz WMADNUPFWYYFFQ-UHFFFAOYSA-N 2 2 326.466 1.163 20 0 EDADLP Cc1cncc(CC[N@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000649611813 452168253 /nfs/dbraw/zinc/16/82/53/452168253.db2.gz JHOYNRGWXAYWEQ-INIZCTEOSA-N 2 2 327.432 1.942 20 0 EDADLP Cc1cncc(CC[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000649611813 452168261 /nfs/dbraw/zinc/16/82/61/452168261.db2.gz JHOYNRGWXAYWEQ-INIZCTEOSA-N 2 2 327.432 1.942 20 0 EDADLP CC[C@H](C)C[C@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000647336736 452181512 /nfs/dbraw/zinc/18/15/12/452181512.db2.gz FRVROSIJZPCFMF-FUHWJXTLSA-N 2 2 327.513 1.170 20 0 EDADLP CO[C@](C)(CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643406876 452190352 /nfs/dbraw/zinc/19/03/52/452190352.db2.gz JMQBRPWMFARZBV-CRAIPNDOSA-N 2 2 338.496 1.269 20 0 EDADLP CO[C@](C)(CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000643406876 452190357 /nfs/dbraw/zinc/19/03/57/452190357.db2.gz JMQBRPWMFARZBV-CRAIPNDOSA-N 2 2 338.496 1.269 20 0 EDADLP CC[N@H+](CCNC(=O)NCCc1cn2c(cccc2C)[nH+]1)C1CC1 ZINC000645208716 452212284 /nfs/dbraw/zinc/21/22/84/452212284.db2.gz IQXAVJWYYQSCGE-UHFFFAOYSA-N 2 2 329.448 1.969 20 0 EDADLP CC[N@@H+](CCNC(=O)NCCc1cn2c(cccc2C)[nH+]1)C1CC1 ZINC000645208716 452212287 /nfs/dbraw/zinc/21/22/87/452212287.db2.gz IQXAVJWYYQSCGE-UHFFFAOYSA-N 2 2 329.448 1.969 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000647470930 452222739 /nfs/dbraw/zinc/22/27/39/452222739.db2.gz RIWNYKCYBSEFIP-ZIAGYGMSSA-N 2 2 347.463 1.322 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000652037969 452236116 /nfs/dbraw/zinc/23/61/16/452236116.db2.gz FBGNEAPLJWPPSB-ZDUSSCGKSA-N 2 2 328.359 1.861 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000652037969 452236121 /nfs/dbraw/zinc/23/61/21/452236121.db2.gz FBGNEAPLJWPPSB-ZDUSSCGKSA-N 2 2 328.359 1.861 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)CC1 ZINC000639919025 452237294 /nfs/dbraw/zinc/23/72/94/452237294.db2.gz OMHHWRQOPKDIIU-CQSZACIVSA-N 2 2 345.365 1.102 20 0 EDADLP CC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccn(C)n1 ZINC000641785072 452254442 /nfs/dbraw/zinc/25/44/42/452254442.db2.gz HLNAJVZCLJNVPR-IRXDYDNUSA-N 2 2 335.496 1.257 20 0 EDADLP CC1(C)C[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C(C)(C)O1 ZINC000641785758 452257387 /nfs/dbraw/zinc/25/73/87/452257387.db2.gz DIOKLXSEJZWJCM-SJORKVTESA-N 2 2 339.524 1.719 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCC2 ZINC000641785753 452257573 /nfs/dbraw/zinc/25/75/73/452257573.db2.gz LEXGOCOHPHCVQN-SJORKVTESA-N 2 2 347.507 1.277 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)[C@@H](C)C1 ZINC000641788914 452266246 /nfs/dbraw/zinc/26/62/46/452266246.db2.gz WEZKADDFADNESR-OTWHNJEPSA-N 3 2 338.540 1.103 20 0 EDADLP COC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000641788638 452266372 /nfs/dbraw/zinc/26/63/72/452266372.db2.gz ZMCOGKNWAVDHHE-RTBURBONSA-N 2 2 339.524 1.578 20 0 EDADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)ccc1S(C)(=O)=O ZINC000643501864 452269599 /nfs/dbraw/zinc/26/95/99/452269599.db2.gz RGJSHLVHAAVETB-JSGCOSHPSA-N 2 2 326.462 1.891 20 0 EDADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000647551609 452278924 /nfs/dbraw/zinc/27/89/24/452278924.db2.gz XRKCZYIYJSFDEG-SZMVWBNQSA-N 2 2 331.460 1.044 20 0 EDADLP C[C@H](CNC(=O)[C@@H](N)c1c(F)cccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488407 452283780 /nfs/dbraw/zinc/28/37/80/452283780.db2.gz YSCPJCRNMDVIDW-YMEQNVIZSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488407 452283795 /nfs/dbraw/zinc/28/37/95/452283795.db2.gz YSCPJCRNMDVIDW-YMEQNVIZSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488407 452283804 /nfs/dbraw/zinc/28/38/04/452283804.db2.gz YSCPJCRNMDVIDW-YMEQNVIZSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489668 452289210 /nfs/dbraw/zinc/28/92/10/452289210.db2.gz YTBRRAXPDWVTJN-JFILPPLUSA-N 2 2 339.867 1.954 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489668 452289216 /nfs/dbraw/zinc/28/92/16/452289216.db2.gz YTBRRAXPDWVTJN-JFILPPLUSA-N 2 2 339.867 1.954 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC000641810501 452291277 /nfs/dbraw/zinc/29/12/77/452291277.db2.gz XPQFEEQKMIBHLP-MPGHIAIKSA-N 2 2 333.476 1.897 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC000641810501 452291287 /nfs/dbraw/zinc/29/12/87/452291287.db2.gz XPQFEEQKMIBHLP-MPGHIAIKSA-N 2 2 333.476 1.897 20 0 EDADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000649848713 452307157 /nfs/dbraw/zinc/30/71/57/452307157.db2.gz PNHVWVVYJTWYFJ-ROUUACIJSA-N 2 2 335.492 1.572 20 0 EDADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000649848713 452307163 /nfs/dbraw/zinc/30/71/63/452307163.db2.gz PNHVWVVYJTWYFJ-ROUUACIJSA-N 2 2 335.492 1.572 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000652143576 452335498 /nfs/dbraw/zinc/33/54/98/452335498.db2.gz DQLPHAZXTSAUOY-UHFFFAOYSA-N 2 2 334.464 1.316 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000652143576 452335512 /nfs/dbraw/zinc/33/55/12/452335512.db2.gz DQLPHAZXTSAUOY-UHFFFAOYSA-N 2 2 334.464 1.316 20 0 EDADLP [NH3+]C/C=C\CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000641870732 452335703 /nfs/dbraw/zinc/33/57/03/452335703.db2.gz ZOKYSRLPOUSTBR-NMBNSIPYSA-N 2 2 325.416 1.926 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638054508 452338239 /nfs/dbraw/zinc/33/82/39/452338239.db2.gz DUHITXDLDRIBOI-VBQJREDUSA-N 2 2 349.475 1.699 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638054508 452338249 /nfs/dbraw/zinc/33/82/49/452338249.db2.gz DUHITXDLDRIBOI-VBQJREDUSA-N 2 2 349.475 1.699 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000663626499 452363037 /nfs/dbraw/zinc/36/30/37/452363037.db2.gz AMXDBBAUUSBJQV-QBPKDAKJSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000663626499 452363045 /nfs/dbraw/zinc/36/30/45/452363045.db2.gz AMXDBBAUUSBJQV-QBPKDAKJSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000663626499 452363053 /nfs/dbraw/zinc/36/30/53/452363053.db2.gz AMXDBBAUUSBJQV-QBPKDAKJSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000663626499 452363061 /nfs/dbraw/zinc/36/30/61/452363061.db2.gz AMXDBBAUUSBJQV-QBPKDAKJSA-N 2 2 340.512 1.515 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659520576 452384280 /nfs/dbraw/zinc/38/42/80/452384280.db2.gz CKNDORRWAOQLBI-HOCLYGCPSA-N 2 2 331.464 1.999 20 0 EDADLP CCn1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)nn1 ZINC000657624146 452397201 /nfs/dbraw/zinc/39/72/01/452397201.db2.gz QZQRIKULQKVLFJ-UHFFFAOYSA-N 2 2 348.882 1.993 20 0 EDADLP C[NH+](C)C1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000665823491 452399215 /nfs/dbraw/zinc/39/92/15/452399215.db2.gz HVBIBTOOWIDLRW-UHFFFAOYSA-N 2 2 344.459 1.300 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccc(OC3CC3)c2F)[C@@H](C[NH3+])C1 ZINC000659568831 452425588 /nfs/dbraw/zinc/42/55/88/452425588.db2.gz FHRRHHMVEHWOHW-ZDUSSCGKSA-N 2 2 336.411 1.151 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(OC3CC3)c2F)[C@@H](C[NH3+])C1 ZINC000659568831 452425596 /nfs/dbraw/zinc/42/55/96/452425596.db2.gz FHRRHHMVEHWOHW-ZDUSSCGKSA-N 2 2 336.411 1.151 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1[nH+]ccn1C ZINC000659575579 452430048 /nfs/dbraw/zinc/43/00/48/452430048.db2.gz QFUYASNNSIQFOT-NUEKZKHPSA-N 2 2 327.432 1.926 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000654403090 452454550 /nfs/dbraw/zinc/45/45/50/452454550.db2.gz FLAWBXXDOHXIHO-QGZVFWFLSA-N 2 2 345.487 1.990 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000654403090 452454559 /nfs/dbraw/zinc/45/45/59/452454559.db2.gz FLAWBXXDOHXIHO-QGZVFWFLSA-N 2 2 345.487 1.990 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000652287786 452472036 /nfs/dbraw/zinc/47/20/36/452472036.db2.gz HVPBNKVQLCSYBQ-MRXNPFEDSA-N 2 2 327.432 1.839 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)n[nH]1 ZINC000652335902 452506595 /nfs/dbraw/zinc/50/65/95/452506595.db2.gz PRQOMHUMIFWZCK-GOSISDBHSA-N 2 2 344.463 1.990 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655685850 452508209 /nfs/dbraw/zinc/50/82/09/452508209.db2.gz RFFCEIXMFVGQQD-GOSISDBHSA-N 2 2 331.460 1.731 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655708760 452525487 /nfs/dbraw/zinc/52/54/87/452525487.db2.gz OFLWAZAUZKIFBX-PKOBYXMFSA-N 3 2 338.540 1.103 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355472 452530834 /nfs/dbraw/zinc/53/08/34/452530834.db2.gz YVKLMCOQFPPLJO-YOEHRIQHSA-N 2 2 340.489 1.918 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355472 452530842 /nfs/dbraw/zinc/53/08/42/452530842.db2.gz YVKLMCOQFPPLJO-YOEHRIQHSA-N 2 2 340.489 1.918 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NCc2ccc(CC)s2)C[C@H]1C[NH3+] ZINC000652357030 452533967 /nfs/dbraw/zinc/53/39/67/452533967.db2.gz XPXRGRIHVGAWSI-IUODEOHRSA-N 2 2 325.478 1.222 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NCc2ccc(CC)s2)C[C@H]1C[NH3+] ZINC000652357030 452533971 /nfs/dbraw/zinc/53/39/71/452533971.db2.gz XPXRGRIHVGAWSI-IUODEOHRSA-N 2 2 325.478 1.222 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C[C@H]1C[NH3+] ZINC000652357250 452538188 /nfs/dbraw/zinc/53/81/88/452538188.db2.gz FKHAFKVZWLLICC-QWFCFKBJSA-N 2 2 345.487 1.858 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)C[C@H]1C[NH3+] ZINC000652357250 452538195 /nfs/dbraw/zinc/53/81/95/452538195.db2.gz FKHAFKVZWLLICC-QWFCFKBJSA-N 2 2 345.487 1.858 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]([NH3+])c2cscn2)c1 ZINC000645567045 452541999 /nfs/dbraw/zinc/54/19/99/452541999.db2.gz KHGZOHOXPXQKLZ-OAHLLOKOSA-N 2 2 334.445 1.400 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)CC[NH+]3CCCC3)cc2[nH+]1 ZINC000657832911 452557430 /nfs/dbraw/zinc/55/74/30/452557430.db2.gz OELLYCRRWOGXDG-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+](C)CCC[NH3+] ZINC000647848084 452583139 /nfs/dbraw/zinc/58/31/39/452583139.db2.gz CTOAGXYFIIQFLR-UHFFFAOYSA-N 2 2 334.283 1.750 20 0 EDADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000647848084 452583146 /nfs/dbraw/zinc/58/31/46/452583146.db2.gz CTOAGXYFIIQFLR-UHFFFAOYSA-N 2 2 334.283 1.750 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000650187155 452583519 /nfs/dbraw/zinc/58/35/19/452583519.db2.gz USQKUGKWPBLEQI-JFIYKMOQSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000650187155 452583529 /nfs/dbraw/zinc/58/35/29/452583529.db2.gz USQKUGKWPBLEQI-JFIYKMOQSA-N 2 2 331.460 1.347 20 0 EDADLP CN(C)C(=O)C[C@]1(O)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000643755888 452583891 /nfs/dbraw/zinc/58/38/91/452583891.db2.gz GKXWFVMBPDQLEG-LJQANCHMSA-N 2 2 342.443 1.678 20 0 EDADLP CN(C)C(=O)C[C@]1(O)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000643755888 452583896 /nfs/dbraw/zinc/58/38/96/452583896.db2.gz GKXWFVMBPDQLEG-LJQANCHMSA-N 2 2 342.443 1.678 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)[C@H](C[NH3+])C1 ZINC000647872628 452610312 /nfs/dbraw/zinc/61/03/12/452610312.db2.gz KIFYUHQOHQTNFL-MRXNPFEDSA-N 2 2 327.428 1.565 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)[C@H](C[NH3+])C1 ZINC000647872628 452610320 /nfs/dbraw/zinc/61/03/20/452610320.db2.gz KIFYUHQOHQTNFL-MRXNPFEDSA-N 2 2 327.428 1.565 20 0 EDADLP COc1cccc(C(=O)N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1OC ZINC000647882735 452621343 /nfs/dbraw/zinc/62/13/43/452621343.db2.gz YUXOOXYLUBPELP-CQSZACIVSA-N 2 2 333.432 1.071 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc2[nH+]1 ZINC000657959425 452639159 /nfs/dbraw/zinc/63/91/59/452639159.db2.gz IESPSOIMRXPMKQ-GFCCVEGCSA-N 2 2 331.420 1.426 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc2[nH+]1 ZINC000657959425 452639174 /nfs/dbraw/zinc/63/91/74/452639174.db2.gz IESPSOIMRXPMKQ-GFCCVEGCSA-N 2 2 331.420 1.426 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647937948 452679829 /nfs/dbraw/zinc/67/98/29/452679829.db2.gz FLLRFPWTWHQSAC-SJLPKXTDSA-N 2 2 341.459 1.548 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000647937948 452679838 /nfs/dbraw/zinc/67/98/38/452679838.db2.gz FLLRFPWTWHQSAC-SJLPKXTDSA-N 2 2 341.459 1.548 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC[C@H]1[NH3+] ZINC000647940029 452680662 /nfs/dbraw/zinc/68/06/62/452680662.db2.gz KMIRCKQYJBLLEF-ZIAGYGMSSA-N 2 2 344.459 1.810 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC[C@H]1[NH3+] ZINC000647940029 452680668 /nfs/dbraw/zinc/68/06/68/452680668.db2.gz KMIRCKQYJBLLEF-ZIAGYGMSSA-N 2 2 344.459 1.810 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)CC[NH+]3CCCCC3)cc2[nH+]1 ZINC000658049225 452705151 /nfs/dbraw/zinc/70/51/51/452705151.db2.gz ADTSTBXKISHJNK-UHFFFAOYSA-N 2 2 343.431 1.526 20 0 EDADLP CC[C@H](C(=O)NCCC[NH+](C)CC(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000652523169 452724065 /nfs/dbraw/zinc/72/40/65/452724065.db2.gz IBKRUZRCGBAEQK-IAGOWNOFSA-N 2 2 327.513 1.970 20 0 EDADLP CC[C@H](C(=O)NCCC[NH+](C)CC(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000652523169 452724074 /nfs/dbraw/zinc/72/40/74/452724074.db2.gz IBKRUZRCGBAEQK-IAGOWNOFSA-N 2 2 327.513 1.970 20 0 EDADLP CC[C@H](C(=O)NCCC[N@H+](C)CC(C)C)[NH+]1CCO[C@H](CC)C1 ZINC000652523169 452724081 /nfs/dbraw/zinc/72/40/81/452724081.db2.gz IBKRUZRCGBAEQK-IAGOWNOFSA-N 2 2 327.513 1.970 20 0 EDADLP CC[C@H](C(=O)NCCC[N@@H+](C)CC(C)C)[NH+]1CCO[C@H](CC)C1 ZINC000652523169 452724086 /nfs/dbraw/zinc/72/40/86/452724086.db2.gz IBKRUZRCGBAEQK-IAGOWNOFSA-N 2 2 327.513 1.970 20 0 EDADLP [NH3+]C1CCC(OCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000645724518 452725586 /nfs/dbraw/zinc/72/55/86/452725586.db2.gz DMPVSGGIGPXTJZ-UHFFFAOYSA-N 2 2 347.459 1.744 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2=O)cc1 ZINC000658158309 452765050 /nfs/dbraw/zinc/76/50/50/452765050.db2.gz ZJRWTRAMGMLZKB-IYOUNJFTSA-N 2 2 329.444 1.873 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2=O)cc1 ZINC000658158309 452765053 /nfs/dbraw/zinc/76/50/53/452765053.db2.gz ZJRWTRAMGMLZKB-IYOUNJFTSA-N 2 2 329.444 1.873 20 0 EDADLP COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000658160374 452766894 /nfs/dbraw/zinc/76/68/94/452766894.db2.gz XYAKTCZAIUUVGR-CYBMUJFWSA-N 2 2 333.436 1.742 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC1([NH3+])CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648048963 452782884 /nfs/dbraw/zinc/78/28/84/452782884.db2.gz WWHGEZNSUWWDRF-CQSZACIVSA-N 3 2 331.464 1.162 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000658264973 452820155 /nfs/dbraw/zinc/82/01/55/452820155.db2.gz PDMSIYZAUKPCKE-CQSZACIVSA-N 2 2 332.448 1.934 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000658264973 452820166 /nfs/dbraw/zinc/82/01/66/452820166.db2.gz PDMSIYZAUKPCKE-CQSZACIVSA-N 2 2 332.448 1.934 20 0 EDADLP Cc1noc(C)c1C[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664188620 452858769 /nfs/dbraw/zinc/85/87/69/452858769.db2.gz WNAJUEVRBBDDHA-CYBMUJFWSA-N 2 2 339.484 1.405 20 0 EDADLP Cc1noc(C)c1C[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664188620 452858777 /nfs/dbraw/zinc/85/87/77/452858777.db2.gz WNAJUEVRBBDDHA-CYBMUJFWSA-N 2 2 339.484 1.405 20 0 EDADLP CCN(C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658357353 452865843 /nfs/dbraw/zinc/86/58/43/452865843.db2.gz PUAYHQQPIGWMBV-MRXNPFEDSA-N 2 2 341.415 1.363 20 0 EDADLP CCN(C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000658357353 452865851 /nfs/dbraw/zinc/86/58/51/452865851.db2.gz PUAYHQQPIGWMBV-MRXNPFEDSA-N 2 2 341.415 1.363 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@]1(C)CO ZINC000662136884 452869318 /nfs/dbraw/zinc/86/93/18/452869318.db2.gz RLKUWXWJWNURCP-PXNSSMCTSA-N 2 2 345.487 1.281 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@]1(C)CO ZINC000662136884 452869328 /nfs/dbraw/zinc/86/93/28/452869328.db2.gz RLKUWXWJWNURCP-PXNSSMCTSA-N 2 2 345.487 1.281 20 0 EDADLP Cn1ncc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C(F)F ZINC000666457325 452883726 /nfs/dbraw/zinc/88/37/26/452883726.db2.gz GDIINFZDGITWFR-UHFFFAOYSA-N 2 2 332.399 1.363 20 0 EDADLP Cn1ncc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C(F)F ZINC000666457325 452883729 /nfs/dbraw/zinc/88/37/29/452883729.db2.gz GDIINFZDGITWFR-UHFFFAOYSA-N 2 2 332.399 1.363 20 0 EDADLP CC[C@](C)(CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000656153187 452906450 /nfs/dbraw/zinc/90/64/50/452906450.db2.gz PFQHSXYUKGHVPB-SJLPKXTDSA-N 2 2 340.512 1.611 20 0 EDADLP CC[C@](C)(CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000656153187 452906457 /nfs/dbraw/zinc/90/64/57/452906457.db2.gz PFQHSXYUKGHVPB-SJLPKXTDSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000645931943 452909826 /nfs/dbraw/zinc/90/98/26/452909826.db2.gz OXVCFBWKPMRINA-UHFFFAOYSA-N 2 2 329.448 1.922 20 0 EDADLP CC[N@H+]1CCCN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000645931943 452909838 /nfs/dbraw/zinc/90/98/38/452909838.db2.gz OXVCFBWKPMRINA-UHFFFAOYSA-N 2 2 329.448 1.922 20 0 EDADLP C[C@@H](CCNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)[NH+](C)C ZINC000658423197 452947299 /nfs/dbraw/zinc/94/72/99/452947299.db2.gz HYDUTWSPTKELRF-ZDUSSCGKSA-N 2 2 343.431 1.482 20 0 EDADLP O=C(NCCc1cccs1)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662253314 452980827 /nfs/dbraw/zinc/98/08/27/452980827.db2.gz IPTVVDLCHSDZED-HNNXBMFYSA-N 2 2 337.489 1.107 20 0 EDADLP O=C(NCc1ccc(F)cc1)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662253143 452980850 /nfs/dbraw/zinc/98/08/50/452980850.db2.gz WVYVSPBIPQSRDB-QGZVFWFLSA-N 2 2 335.423 1.142 20 0 EDADLP O=C(Nc1ccc(F)cc1)NC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662252498 452981019 /nfs/dbraw/zinc/98/10/19/452981019.db2.gz OTXOKFJRXBRCAR-MRXNPFEDSA-N 2 2 336.411 1.400 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H]1CC[N@H+](CC)C1 ZINC000658468988 453007603 /nfs/dbraw/zinc/00/76/03/453007603.db2.gz ZZIKZPQAPCJFAX-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H]1CC[N@@H+](CC)C1 ZINC000658468988 453007611 /nfs/dbraw/zinc/00/76/11/453007611.db2.gz ZZIKZPQAPCJFAX-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662296273 453017670 /nfs/dbraw/zinc/01/76/70/453017670.db2.gz BMLNAHPXFJGONL-AWEZNQCLSA-N 2 2 334.464 1.098 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662296273 453017682 /nfs/dbraw/zinc/01/76/82/453017682.db2.gz BMLNAHPXFJGONL-AWEZNQCLSA-N 2 2 334.464 1.098 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662296274 453017935 /nfs/dbraw/zinc/01/79/35/453017935.db2.gz BMLNAHPXFJGONL-CQSZACIVSA-N 2 2 334.464 1.098 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662296274 453017943 /nfs/dbraw/zinc/01/79/43/453017943.db2.gz BMLNAHPXFJGONL-CQSZACIVSA-N 2 2 334.464 1.098 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662320850 453038493 /nfs/dbraw/zinc/03/84/93/453038493.db2.gz XCRZDJFKEOYYNK-SFHVURJKSA-N 2 2 349.475 1.354 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662320850 453038500 /nfs/dbraw/zinc/03/85/00/453038500.db2.gz XCRZDJFKEOYYNK-SFHVURJKSA-N 2 2 349.475 1.354 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660119994 453044710 /nfs/dbraw/zinc/04/47/10/453044710.db2.gz AACRHXNXFDGBLV-QGZVFWFLSA-N 2 2 327.432 1.477 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000660119994 453044719 /nfs/dbraw/zinc/04/47/19/453044719.db2.gz AACRHXNXFDGBLV-QGZVFWFLSA-N 2 2 327.432 1.477 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664441 453050901 /nfs/dbraw/zinc/05/09/01/453050901.db2.gz DXFNGRYJLDVBDH-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664441 453050908 /nfs/dbraw/zinc/05/09/08/453050908.db2.gz DXFNGRYJLDVBDH-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)CC1 ZINC000646081260 453091872 /nfs/dbraw/zinc/09/18/72/453091872.db2.gz LEPQKEINRIQYOP-IBGZPJMESA-N 2 2 343.471 1.420 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000664475580 453128040 /nfs/dbraw/zinc/12/80/40/453128040.db2.gz PVRWUKWHDCNKSZ-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000664475580 453128044 /nfs/dbraw/zinc/12/80/44/453128044.db2.gz PVRWUKWHDCNKSZ-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000650966636 453146831 /nfs/dbraw/zinc/14/68/31/453146831.db2.gz RDKSEDNKCKXCIR-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000650966636 453146838 /nfs/dbraw/zinc/14/68/38/453146838.db2.gz RDKSEDNKCKXCIR-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000650966636 453146844 /nfs/dbraw/zinc/14/68/44/453146844.db2.gz RDKSEDNKCKXCIR-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000650966636 453146851 /nfs/dbraw/zinc/14/68/51/453146851.db2.gz RDKSEDNKCKXCIR-MSOLQXFVSA-N 2 2 346.475 1.009 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000660276220 453166946 /nfs/dbraw/zinc/16/69/46/453166946.db2.gz PCWITMKWANAHPQ-GOSISDBHSA-N 3 2 340.556 1.037 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000660276220 453166957 /nfs/dbraw/zinc/16/69/57/453166957.db2.gz PCWITMKWANAHPQ-GOSISDBHSA-N 3 2 340.556 1.037 20 0 EDADLP Cc1noc(C)c1CO[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660283350 453172921 /nfs/dbraw/zinc/17/29/21/453172921.db2.gz HTFCXRRMLHOWDU-HZPDHXFCSA-N 2 2 325.453 1.583 20 0 EDADLP Cc1noc(C)c1CO[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660283350 453172929 /nfs/dbraw/zinc/17/29/29/453172929.db2.gz HTFCXRRMLHOWDU-HZPDHXFCSA-N 2 2 325.453 1.583 20 0 EDADLP Cc1noc(C)c1CO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660283350 453172936 /nfs/dbraw/zinc/17/29/36/453172936.db2.gz HTFCXRRMLHOWDU-HZPDHXFCSA-N 2 2 325.453 1.583 20 0 EDADLP Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660283350 453172944 /nfs/dbraw/zinc/17/29/44/453172944.db2.gz HTFCXRRMLHOWDU-HZPDHXFCSA-N 2 2 325.453 1.583 20 0 EDADLP CC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)CO1 ZINC000650994935 453173042 /nfs/dbraw/zinc/17/30/42/453173042.db2.gz WTWCZVVCRDOTFA-ZBFHGGJFSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)[NH+]1CC(C)C1 ZINC000655068743 453191760 /nfs/dbraw/zinc/19/17/60/453191760.db2.gz FOKBQOLOXFZFMT-NEWSRXKRSA-N 2 2 345.487 1.857 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)[NH+]1CC(C)C1 ZINC000655068743 453191766 /nfs/dbraw/zinc/19/17/66/453191766.db2.gz FOKBQOLOXFZFMT-NEWSRXKRSA-N 2 2 345.487 1.857 20 0 EDADLP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000662478752 453192912 /nfs/dbraw/zinc/19/29/12/453192912.db2.gz HOLBGNAPHGAKKZ-OAHLLOKOSA-N 2 2 348.447 1.078 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656474393 453208084 /nfs/dbraw/zinc/20/80/84/453208084.db2.gz UJQACQMAEUDGKQ-USXIJHARSA-N 2 2 327.432 1.717 20 0 EDADLP O[C@H]1CC[N@@H+](C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)C1 ZINC000664598689 453234154 /nfs/dbraw/zinc/23/41/54/453234154.db2.gz IFQZUWHRCHJILD-INIZCTEOSA-N 2 2 331.464 1.502 20 0 EDADLP O[C@H]1CC[N@H+](C2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)C1 ZINC000664598689 453234163 /nfs/dbraw/zinc/23/41/63/453234163.db2.gz IFQZUWHRCHJILD-INIZCTEOSA-N 2 2 331.464 1.502 20 0 EDADLP O[C@H]1CC[N@@H+](C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)C1 ZINC000664598689 453234170 /nfs/dbraw/zinc/23/41/70/453234170.db2.gz IFQZUWHRCHJILD-INIZCTEOSA-N 2 2 331.464 1.502 20 0 EDADLP O[C@H]1CC[N@H+](C2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)C1 ZINC000664598689 453234178 /nfs/dbraw/zinc/23/41/78/453234178.db2.gz IFQZUWHRCHJILD-INIZCTEOSA-N 2 2 331.464 1.502 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000662526750 453247115 /nfs/dbraw/zinc/24/71/15/453247115.db2.gz KRUIVTLHHSFATO-UHFFFAOYSA-N 2 2 337.387 1.641 20 0 EDADLP C[NH+]1CCC2(CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)CC1 ZINC000646246574 453254255 /nfs/dbraw/zinc/25/42/55/453254255.db2.gz NFLIITYEXWDKAV-UHFFFAOYSA-N 2 2 325.416 1.825 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000653087017 453269062 /nfs/dbraw/zinc/26/90/62/453269062.db2.gz JZFHNWXOEKMCRP-GFCCVEGCSA-N 2 2 337.424 1.486 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccn1C1CC[NH2+]CC1 ZINC000646265411 453271882 /nfs/dbraw/zinc/27/18/82/453271882.db2.gz XCEOAVYFGLRDOC-HNNXBMFYSA-N 2 2 339.443 1.816 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646265223 453271962 /nfs/dbraw/zinc/27/19/62/453271962.db2.gz OYCPQKRPMSFXCC-HZPDHXFCSA-N 2 2 340.431 1.211 20 0 EDADLP Cc1cc(-c2noc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n2)ccc1F ZINC000653104764 453286141 /nfs/dbraw/zinc/28/61/41/453286141.db2.gz UFWGFXVNBPEGEA-RISCZKNCSA-N 2 2 349.410 1.640 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000666971666 453288459 /nfs/dbraw/zinc/28/84/59/453288459.db2.gz CJLAXNFSHQSQQO-KRWDZBQOSA-N 2 2 347.463 1.483 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660422403 453295519 /nfs/dbraw/zinc/29/55/19/453295519.db2.gz DVFMLKOVOMMHSS-NVXWUHKLSA-N 2 2 327.432 1.845 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660422403 453295524 /nfs/dbraw/zinc/29/55/24/453295524.db2.gz DVFMLKOVOMMHSS-NVXWUHKLSA-N 2 2 327.432 1.845 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000653120199 453311416 /nfs/dbraw/zinc/31/14/16/453311416.db2.gz JRJPNEPNJKYREP-HNNXBMFYSA-N 3 2 342.553 1.133 20 0 EDADLP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653124177 453317202 /nfs/dbraw/zinc/31/72/02/453317202.db2.gz SHSDPUXHSCABFQ-OAHLLOKOSA-N 3 2 333.480 1.046 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471594 453331610 /nfs/dbraw/zinc/33/16/10/453331610.db2.gz BIIKJKOHCRSYBL-SJORKVTESA-N 2 2 341.496 1.104 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471594 453331618 /nfs/dbraw/zinc/33/16/18/453331618.db2.gz BIIKJKOHCRSYBL-SJORKVTESA-N 2 2 341.496 1.104 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151710 453340324 /nfs/dbraw/zinc/34/03/24/453340324.db2.gz POHGKWZVPJONDH-WMZOPIPTSA-N 3 2 332.492 1.388 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151710 453340334 /nfs/dbraw/zinc/34/03/34/453340334.db2.gz POHGKWZVPJONDH-WMZOPIPTSA-N 3 2 332.492 1.388 20 0 EDADLP Cn1ccc([C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000653156668 453348339 /nfs/dbraw/zinc/34/83/39/453348339.db2.gz HZZOIPFHZLJROM-HOCLYGCPSA-N 2 2 349.866 1.558 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000653156775 453349177 /nfs/dbraw/zinc/34/91/77/453349177.db2.gz LLDOQKSUMAEXMR-ABAIWWIYSA-N 2 2 342.846 1.453 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000651197260 453351158 /nfs/dbraw/zinc/35/11/58/453351158.db2.gz ZWZLANXMPAFLPB-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000651197260 453351165 /nfs/dbraw/zinc/35/11/65/453351165.db2.gz ZWZLANXMPAFLPB-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP CCc1nc2cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc2n1C1CC1 ZINC000653161105 453354792 /nfs/dbraw/zinc/35/47/92/453354792.db2.gz DBSVBVYDGTYDHD-HNNXBMFYSA-N 2 2 343.475 1.829 20 0 EDADLP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000653163773 453356267 /nfs/dbraw/zinc/35/62/67/453356267.db2.gz RTAAYPPNOQLKQO-APWZRJJASA-N 2 2 346.475 1.507 20 0 EDADLP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000653163955 453357059 /nfs/dbraw/zinc/35/70/59/453357059.db2.gz BETLRLBOJQJMHW-WBVHZDCISA-N 2 2 346.475 1.507 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000653168697 453359996 /nfs/dbraw/zinc/35/99/96/453359996.db2.gz NALNSDBSAKDPKQ-QGZVFWFLSA-N 2 2 337.439 1.612 20 0 EDADLP Cc1ccc(NC(=O)C2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)nc1 ZINC000656700882 453379155 /nfs/dbraw/zinc/37/91/55/453379155.db2.gz MWEVLIRQJCTERM-QGZVFWFLSA-N 2 2 348.491 1.742 20 0 EDADLP Cc1ccc(NC(=O)C2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)nc1 ZINC000656700882 453379161 /nfs/dbraw/zinc/37/91/61/453379161.db2.gz MWEVLIRQJCTERM-QGZVFWFLSA-N 2 2 348.491 1.742 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](C)CO1 ZINC000664791373 453407331 /nfs/dbraw/zinc/40/73/31/453407331.db2.gz GRYDFXKGZXVIQJ-JUVOFCAFSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](C)CO1 ZINC000664791373 453407340 /nfs/dbraw/zinc/40/73/40/453407340.db2.gz GRYDFXKGZXVIQJ-JUVOFCAFSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000662702870 453426270 /nfs/dbraw/zinc/42/62/70/453426270.db2.gz CJZXZWBAXVJRHW-OAHLLOKOSA-N 2 2 331.460 1.891 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660652293 453490303 /nfs/dbraw/zinc/49/03/03/453490303.db2.gz ILCNEOGPVQTCAE-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660652293 453490309 /nfs/dbraw/zinc/49/03/09/453490309.db2.gz ILCNEOGPVQTCAE-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660652293 453490316 /nfs/dbraw/zinc/49/03/16/453490316.db2.gz ILCNEOGPVQTCAE-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660652293 453490323 /nfs/dbraw/zinc/49/03/23/453490323.db2.gz ILCNEOGPVQTCAE-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCN1C(=O)c3ccccc3C1=O)C2 ZINC000660655596 453493454 /nfs/dbraw/zinc/49/34/54/453493454.db2.gz NTKMVLXEGOLNPC-LJQANCHMSA-N 2 2 327.428 1.700 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCN1C(=O)c3ccccc3C1=O)C2 ZINC000660655596 453493459 /nfs/dbraw/zinc/49/34/59/453493459.db2.gz NTKMVLXEGOLNPC-LJQANCHMSA-N 2 2 327.428 1.700 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCN1C(=O)c3ccccc3C1=O)C2 ZINC000660655596 453493466 /nfs/dbraw/zinc/49/34/66/453493466.db2.gz NTKMVLXEGOLNPC-LJQANCHMSA-N 2 2 327.428 1.700 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCN1C(=O)c3ccccc3C1=O)C2 ZINC000660655596 453493475 /nfs/dbraw/zinc/49/34/75/453493475.db2.gz NTKMVLXEGOLNPC-LJQANCHMSA-N 2 2 327.428 1.700 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655442986 453529915 /nfs/dbraw/zinc/52/99/15/453529915.db2.gz ISXAIHDFWRIXEN-MJGOQNOKSA-N 2 2 329.444 1.847 20 0 EDADLP C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1[nH+]ccn1C ZINC000658919492 453535125 /nfs/dbraw/zinc/53/51/25/453535125.db2.gz QLFKKTYMRLUTCB-GFCCVEGCSA-N 2 2 329.404 1.298 20 0 EDADLP CC[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000665070286 453563689 /nfs/dbraw/zinc/56/36/89/453563689.db2.gz ISNKTERCMHANNV-UHFFFAOYSA-N 2 2 326.444 1.934 20 0 EDADLP CC[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000665070286 453563694 /nfs/dbraw/zinc/56/36/94/453563694.db2.gz ISNKTERCMHANNV-UHFFFAOYSA-N 2 2 326.444 1.934 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662849031 453569034 /nfs/dbraw/zinc/56/90/34/453569034.db2.gz DZNJRWZCHFCEPF-AOIWGVFYSA-N 2 2 331.460 1.616 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662849031 453569038 /nfs/dbraw/zinc/56/90/38/453569038.db2.gz DZNJRWZCHFCEPF-AOIWGVFYSA-N 2 2 331.460 1.616 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659017182 453582712 /nfs/dbraw/zinc/58/27/12/453582712.db2.gz GDRXMIVBISQENC-KRWDZBQOSA-N 2 2 330.432 1.271 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662902367 453595391 /nfs/dbraw/zinc/59/53/91/453595391.db2.gz NJRJECPUCYBFJE-QWHCGFSZSA-N 2 2 331.424 1.300 20 0 EDADLP CCc1ccc([C@@H](C[NH+]2CCOCC2)NCC23CC(C2)C[NH2+]3)cc1 ZINC000665279234 453633867 /nfs/dbraw/zinc/63/38/67/453633867.db2.gz ZVQHZSZYRTTXJX-SKINQDTJSA-N 2 2 329.488 1.964 20 0 EDADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279234 453633872 /nfs/dbraw/zinc/63/38/72/453633872.db2.gz ZVQHZSZYRTTXJX-SKINQDTJSA-N 2 2 329.488 1.964 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CCc1ccccc1 ZINC000657093041 453676136 /nfs/dbraw/zinc/67/61/36/453676136.db2.gz WXPKJTSVXVLPDG-UHFFFAOYSA-N 2 2 327.494 1.032 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CCc1ccccc1 ZINC000657093041 453676137 /nfs/dbraw/zinc/67/61/37/453676137.db2.gz WXPKJTSVXVLPDG-UHFFFAOYSA-N 2 2 327.494 1.032 20 0 EDADLP CC1(C)C[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000657143923 453703608 /nfs/dbraw/zinc/70/36/08/453703608.db2.gz JGEZULWBHMDSPO-DLBZAZTESA-N 2 2 329.448 1.282 20 0 EDADLP CC1(C)C[C@H]([NH2+]C[C@@H](O)Cn2ccnn2)C[N@H+]1Cc1ccccc1 ZINC000657143923 453703610 /nfs/dbraw/zinc/70/36/10/453703610.db2.gz JGEZULWBHMDSPO-DLBZAZTESA-N 2 2 329.448 1.282 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000659316473 453713830 /nfs/dbraw/zinc/71/38/30/453713830.db2.gz MLJVTPSBJRYASQ-INIZCTEOSA-N 2 2 339.867 1.737 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663303053 453762619 /nfs/dbraw/zinc/76/26/19/453762619.db2.gz CGAXOIBFGBLVOE-SJORKVTESA-N 2 2 335.423 1.065 20 0 EDADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cnc3n2CCC3)c2ccccc2)CC1 ZINC000657344984 453770184 /nfs/dbraw/zinc/77/01/84/453770184.db2.gz GHJFFFWEAPGVMZ-IBGZPJMESA-N 2 2 339.487 1.908 20 0 EDADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)c2ccccc2)CC1 ZINC000657344984 453770186 /nfs/dbraw/zinc/77/01/86/453770186.db2.gz GHJFFFWEAPGVMZ-IBGZPJMESA-N 3 2 339.487 1.908 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)nc[nH+]2)CC1 ZINC000663386088 453786178 /nfs/dbraw/zinc/78/61/78/453786178.db2.gz AZDOKDJCNUEAQJ-AWEZNQCLSA-N 2 2 331.464 1.724 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)nc[nH+]2)CC1 ZINC000663386088 453786179 /nfs/dbraw/zinc/78/61/79/453786179.db2.gz AZDOKDJCNUEAQJ-AWEZNQCLSA-N 2 2 331.464 1.724 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]cn2)CC1 ZINC000663386088 453786180 /nfs/dbraw/zinc/78/61/80/453786180.db2.gz AZDOKDJCNUEAQJ-AWEZNQCLSA-N 2 2 331.464 1.724 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)[nH+]cn2)CC1 ZINC000663386088 453786181 /nfs/dbraw/zinc/78/61/81/453786181.db2.gz AZDOKDJCNUEAQJ-AWEZNQCLSA-N 2 2 331.464 1.724 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CC[NH+](C)CC1 ZINC000679994262 486691515 /nfs/dbraw/zinc/69/15/15/486691515.db2.gz QCHZCHIXTMWMEX-GDBMZVCRSA-N 3 2 333.480 1.231 20 0 EDADLP c1ccc2c(c1)NCCC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000683690649 486792991 /nfs/dbraw/zinc/79/29/91/486792991.db2.gz NTJLXRHHOBAIQG-FXAWDEMLSA-N 2 2 344.503 1.930 20 0 EDADLP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[NH2+]1 ZINC000667517436 486817744 /nfs/dbraw/zinc/81/77/44/486817744.db2.gz IRXYPLZVEJTAQA-MRXNPFEDSA-N 2 2 341.415 1.267 20 0 EDADLP C[NH+]1CCC(n2ccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)n2)CC1 ZINC000683889970 486853828 /nfs/dbraw/zinc/85/38/28/486853828.db2.gz WXMWMGZPHJYLKO-ZDUSSCGKSA-N 2 2 328.420 1.547 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1nc(-c2ccccn2)no1 ZINC000676716706 486854427 /nfs/dbraw/zinc/85/44/27/486854427.db2.gz CXPRSZRFXRIWOM-KBMXLJTQSA-N 2 2 343.431 1.815 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1nc(-c2ccccn2)no1 ZINC000676716706 486854432 /nfs/dbraw/zinc/85/44/32/486854432.db2.gz CXPRSZRFXRIWOM-KBMXLJTQSA-N 2 2 343.431 1.815 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1N ZINC000166563147 486867671 /nfs/dbraw/zinc/86/76/71/486867671.db2.gz OABPWFCRXAQMSZ-UHFFFAOYSA-N 2 2 330.476 1.866 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1c[nH]c[nH+]1 ZINC000683920230 486867993 /nfs/dbraw/zinc/86/79/93/486867993.db2.gz WNLJNLRWWYKATP-LSDHHAIUSA-N 2 2 334.464 1.571 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000656541383 486866608 /nfs/dbraw/zinc/86/66/08/486866608.db2.gz ZYMOSLGYJCVLFW-AWEZNQCLSA-N 2 2 328.420 1.766 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000680858073 486873254 /nfs/dbraw/zinc/87/32/54/486873254.db2.gz QWQKSMJGJULJNI-KSSFIOAISA-N 2 2 349.500 1.799 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000680858073 486873256 /nfs/dbraw/zinc/87/32/56/486873256.db2.gz QWQKSMJGJULJNI-KSSFIOAISA-N 2 2 349.500 1.799 20 0 EDADLP Cn1cc[nH+]c1C[C@H](NC(=O)NCC[NH+]1CCC1)c1ccccc1 ZINC000677015837 486954740 /nfs/dbraw/zinc/95/47/40/486954740.db2.gz IMBNTDGRUYXAGN-INIZCTEOSA-N 2 2 327.432 1.709 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000677173739 486993619 /nfs/dbraw/zinc/99/36/19/486993619.db2.gz NPWBGSDNHPPFRO-MJGOQNOKSA-N 2 2 344.503 1.528 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@H]1C ZINC000677173739 486993623 /nfs/dbraw/zinc/99/36/23/486993623.db2.gz NPWBGSDNHPPFRO-MJGOQNOKSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000681551679 487083544 /nfs/dbraw/zinc/08/35/44/487083544.db2.gz VAGQJRDMYMCUJE-TWMKSMIVSA-N 2 2 346.475 1.546 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000681551679 487083546 /nfs/dbraw/zinc/08/35/46/487083546.db2.gz VAGQJRDMYMCUJE-TWMKSMIVSA-N 2 2 346.475 1.546 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000681703847 487136176 /nfs/dbraw/zinc/13/61/76/487136176.db2.gz OZTBTQAEVQYDSA-LJQANCHMSA-N 2 2 343.475 1.483 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000681703847 487136180 /nfs/dbraw/zinc/13/61/80/487136180.db2.gz OZTBTQAEVQYDSA-LJQANCHMSA-N 2 2 343.475 1.483 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)no1 ZINC000681825689 487186878 /nfs/dbraw/zinc/18/68/78/487186878.db2.gz BBSMQYXMGOSKMH-CYBMUJFWSA-N 2 2 329.404 1.944 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)no1 ZINC000681825689 487186881 /nfs/dbraw/zinc/18/68/81/487186881.db2.gz BBSMQYXMGOSKMH-CYBMUJFWSA-N 2 2 329.404 1.944 20 0 EDADLP c1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000674062157 487194043 /nfs/dbraw/zinc/19/40/43/487194043.db2.gz HKGTUDBDLRZSGK-INIZCTEOSA-N 2 2 331.464 1.768 20 0 EDADLP C[C@@H](NC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1)C1CC[NH+](C)CC1 ZINC000681874290 487213865 /nfs/dbraw/zinc/21/38/65/487213865.db2.gz ONRAYSIXZRTBMP-HUUCEWRRSA-N 2 2 333.480 1.817 20 0 EDADLP C[C@@H](NC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000681875523 487214343 /nfs/dbraw/zinc/21/43/43/487214343.db2.gz XBKBDJZBEBFMMO-HIFRSBDPSA-N 2 2 334.468 1.138 20 0 EDADLP OC[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000677983684 487219316 /nfs/dbraw/zinc/21/93/16/487219316.db2.gz BXLLCBHKELPJTQ-QGZVFWFLSA-N 2 2 334.851 1.888 20 0 EDADLP CCc1nn(C)c(OC)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678074584 487242415 /nfs/dbraw/zinc/24/24/15/487242415.db2.gz PJAOKQYMTMVGDJ-HNNXBMFYSA-N 2 2 336.480 1.724 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cn1 ZINC000678476998 487315451 /nfs/dbraw/zinc/31/54/51/487315451.db2.gz AUINMJAPZUTMTK-UHFFFAOYSA-N 2 2 325.376 1.278 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000674751324 487309409 /nfs/dbraw/zinc/30/94/09/487309409.db2.gz OXINFMVYUZLWQK-LSDHHAIUSA-N 2 2 326.466 1.192 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000674751324 487309411 /nfs/dbraw/zinc/30/94/11/487309411.db2.gz OXINFMVYUZLWQK-LSDHHAIUSA-N 2 2 326.466 1.192 20 0 EDADLP Cc1ccncc1[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678444333 487310577 /nfs/dbraw/zinc/31/05/77/487310577.db2.gz DDOXQVKVGSUNJK-CVEARBPZSA-N 2 2 345.491 1.919 20 0 EDADLP Cc1ccncc1[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678444333 487310582 /nfs/dbraw/zinc/31/05/82/487310582.db2.gz DDOXQVKVGSUNJK-CVEARBPZSA-N 2 2 345.491 1.919 20 0 EDADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C)cc1C ZINC000678514457 487324720 /nfs/dbraw/zinc/32/47/20/487324720.db2.gz FETXLVNVQJCLOS-UHFFFAOYSA-N 2 2 333.476 1.526 20 0 EDADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C)cc1C ZINC000678514457 487324721 /nfs/dbraw/zinc/32/47/21/487324721.db2.gz FETXLVNVQJCLOS-UHFFFAOYSA-N 2 2 333.476 1.526 20 0 EDADLP Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000678805029 487366693 /nfs/dbraw/zinc/36/66/93/487366693.db2.gz MYVMPSIEOZVHOS-LBPRGKRZSA-N 2 2 338.452 1.169 20 0 EDADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682512700 487379142 /nfs/dbraw/zinc/37/91/42/487379142.db2.gz MKFWVWCWYDIMPS-ARFHVFGLSA-N 2 2 332.448 1.205 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682523213 487381342 /nfs/dbraw/zinc/38/13/42/487381342.db2.gz STYCJNPCIUAXIS-MRXNPFEDSA-N 2 2 339.443 1.873 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](CO)O1 ZINC000682556956 487388508 /nfs/dbraw/zinc/38/85/08/487388508.db2.gz OFBLZVOURMNXEE-QFBILLFUSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](CO)O1 ZINC000682556956 487388513 /nfs/dbraw/zinc/38/85/13/487388513.db2.gz OFBLZVOURMNXEE-QFBILLFUSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)C1=CC[N@H+](C)CC1 ZINC000679693257 487457950 /nfs/dbraw/zinc/45/79/50/487457950.db2.gz QPBBZHILNPFREJ-OAHLLOKOSA-N 2 2 328.460 1.952 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)C1=CC[N@@H+](C)CC1 ZINC000679693257 487457952 /nfs/dbraw/zinc/45/79/52/487457952.db2.gz QPBBZHILNPFREJ-OAHLLOKOSA-N 2 2 328.460 1.952 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000669517070 485481803 /nfs/dbraw/zinc/48/18/03/485481803.db2.gz ZFEUPEWGFLBLBZ-RWMBFGLXSA-N 2 2 336.402 1.639 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000669517070 485481809 /nfs/dbraw/zinc/48/18/09/485481809.db2.gz ZFEUPEWGFLBLBZ-RWMBFGLXSA-N 2 2 336.402 1.639 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])Oc1cccc(F)c1 ZINC000669524292 485493279 /nfs/dbraw/zinc/49/32/79/485493279.db2.gz NVVZQRHPXHIRRB-CABCVRRESA-N 2 2 338.427 1.267 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])Oc1cccc(F)c1 ZINC000669524292 485493284 /nfs/dbraw/zinc/49/32/84/485493284.db2.gz NVVZQRHPXHIRRB-CABCVRRESA-N 2 2 338.427 1.267 20 0 EDADLP CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000355323345 485546086 /nfs/dbraw/zinc/54/60/86/485546086.db2.gz WTZPMHAEXSINNC-VUXNLXKLSA-N 2 2 349.519 1.817 20 0 EDADLP CC(C)[C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000355323345 485546093 /nfs/dbraw/zinc/54/60/93/485546093.db2.gz WTZPMHAEXSINNC-VUXNLXKLSA-N 2 2 349.519 1.817 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987440 485613788 /nfs/dbraw/zinc/61/37/88/485613788.db2.gz UGNCRPUWAHMCCD-RBUKOAKNSA-N 2 2 348.487 1.921 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987440 485613795 /nfs/dbraw/zinc/61/37/95/485613795.db2.gz UGNCRPUWAHMCCD-RBUKOAKNSA-N 2 2 348.487 1.921 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669153577 485743327 /nfs/dbraw/zinc/74/33/27/485743327.db2.gz RABYOHZYXJUHRT-HOTGVXAUSA-N 2 2 329.448 1.575 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000366265922 485883164 /nfs/dbraw/zinc/88/31/64/485883164.db2.gz KRYXLIXERSOVDN-SFHVURJKSA-N 2 2 329.444 1.799 20 0 EDADLP [NH3+]C1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000668610953 485946509 /nfs/dbraw/zinc/94/65/09/485946509.db2.gz YYVCRNXJLCARBD-DAWZGUTISA-N 2 2 346.475 1.457 20 0 EDADLP [NH3+]C1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000668610953 485946515 /nfs/dbraw/zinc/94/65/15/485946515.db2.gz YYVCRNXJLCARBD-DAWZGUTISA-N 2 2 346.475 1.457 20 0 EDADLP Cc1cc(C)n2c(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cnc2n1 ZINC000668785761 486194669 /nfs/dbraw/zinc/19/46/69/486194669.db2.gz WWNZNWVNKALCLX-KRWDZBQOSA-N 2 2 331.464 1.889 20 0 EDADLP Cc1cc(C)n2c(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cnc2n1 ZINC000668785761 486194677 /nfs/dbraw/zinc/19/46/77/486194677.db2.gz WWNZNWVNKALCLX-KRWDZBQOSA-N 2 2 331.464 1.889 20 0 EDADLP COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668793643 486204408 /nfs/dbraw/zinc/20/44/08/486204408.db2.gz IVSFQQVLISZITO-UHFFFAOYSA-N 2 2 346.431 1.768 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](C)C1 ZINC000668819007 486226879 /nfs/dbraw/zinc/22/68/79/486226879.db2.gz MLALUKCAWIAWFQ-HZMVEIRTSA-N 2 2 348.491 1.777 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](C)C1 ZINC000668819007 486226885 /nfs/dbraw/zinc/22/68/85/486226885.db2.gz MLALUKCAWIAWFQ-HZMVEIRTSA-N 2 2 348.491 1.777 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670409451 486457733 /nfs/dbraw/zinc/45/77/33/486457733.db2.gz NJFSKNDJBOZGJA-OAHLLOKOSA-N 2 2 341.459 1.105 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000670409451 486457739 /nfs/dbraw/zinc/45/77/39/486457739.db2.gz NJFSKNDJBOZGJA-OAHLLOKOSA-N 2 2 341.459 1.105 20 0 EDADLP CN1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)[C@H](C[NH3+])C1 ZINC000162280534 486646551 /nfs/dbraw/zinc/64/65/51/486646551.db2.gz MAUQQMGMPUQZNN-OAHLLOKOSA-N 2 2 326.400 1.589 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000133625507 491221818 /nfs/dbraw/zinc/22/18/18/491221818.db2.gz VUMFVYOVRXACLU-ZBFHGGJFSA-N 2 2 349.479 1.446 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000133625507 491221819 /nfs/dbraw/zinc/22/18/19/491221819.db2.gz VUMFVYOVRXACLU-ZBFHGGJFSA-N 2 2 349.479 1.446 20 0 EDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000081480979 491178851 /nfs/dbraw/zinc/17/88/51/491178851.db2.gz AYOTZUNMDNNNOB-HZPDHXFCSA-N 2 2 328.416 1.151 20 0 EDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000081480979 491178852 /nfs/dbraw/zinc/17/88/52/491178852.db2.gz AYOTZUNMDNNNOB-HZPDHXFCSA-N 2 2 328.416 1.151 20 0 EDADLP CN(CCCC[NH+](C)C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000081788542 491181464 /nfs/dbraw/zinc/18/14/64/491181464.db2.gz AELYBQGBUKATAB-UHFFFAOYSA-N 2 2 333.480 1.004 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCC2)[C@@H](C)CO1 ZINC000663439338 500938869 /nfs/dbraw/zinc/93/88/69/500938869.db2.gz OIWYFEQEEXUHDL-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCC2)[C@@H](C)CO1 ZINC000663439338 500938874 /nfs/dbraw/zinc/93/88/74/500938874.db2.gz OIWYFEQEEXUHDL-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP COc1cccc([C@H](C[NH2+]C2CCN(C(N)=O)CC2)[NH+]2CCCC2)c1 ZINC000154833289 533779678 /nfs/dbraw/zinc/77/96/78/533779678.db2.gz IXQPWWLMIGDWMT-SFHVURJKSA-N 2 2 346.475 1.965 20 0 EDADLP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)C[NH+]1CCOCC1 ZINC000153319930 534126279 /nfs/dbraw/zinc/12/62/79/534126279.db2.gz ICZVTAQYLKACMU-HUUCEWRRSA-N 2 2 330.436 1.281 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000171497957 534322038 /nfs/dbraw/zinc/32/20/38/534322038.db2.gz HKMZWYPVDZDWQB-UHFFFAOYSA-N 2 2 337.387 1.641 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173805251 534686010 /nfs/dbraw/zinc/68/60/10/534686010.db2.gz GXTBBUWPXSHEIO-INIZCTEOSA-N 2 2 338.415 1.423 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129783812 528701478 /nfs/dbraw/zinc/70/14/78/528701478.db2.gz HJYFPYKAIRXQBV-HUUCEWRRSA-N 2 2 336.436 1.226 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129783812 528701485 /nfs/dbraw/zinc/70/14/85/528701485.db2.gz HJYFPYKAIRXQBV-HUUCEWRRSA-N 2 2 336.436 1.226 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000175985026 529118499 /nfs/dbraw/zinc/11/84/99/529118499.db2.gz BKFSUOOIKCBBJQ-INIZCTEOSA-N 2 2 341.496 1.007 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000175985026 529118502 /nfs/dbraw/zinc/11/85/02/529118502.db2.gz BKFSUOOIKCBBJQ-INIZCTEOSA-N 2 2 341.496 1.007 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246617438 535069614 /nfs/dbraw/zinc/06/96/14/535069614.db2.gz MJJSWFVQSQJOSP-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000346853091 535210326 /nfs/dbraw/zinc/21/03/26/535210326.db2.gz XRFONXOTIWPUEN-QGZVFWFLSA-N 2 2 328.416 1.598 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000346853091 535210331 /nfs/dbraw/zinc/21/03/31/535210331.db2.gz XRFONXOTIWPUEN-QGZVFWFLSA-N 2 2 328.416 1.598 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346222038 535269475 /nfs/dbraw/zinc/26/94/75/535269475.db2.gz LJFFREFYUGOIEF-BSDSXHPESA-N 2 2 337.508 1.676 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346222038 535269480 /nfs/dbraw/zinc/26/94/80/535269480.db2.gz LJFFREFYUGOIEF-BSDSXHPESA-N 2 2 337.508 1.676 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346222038 535269482 /nfs/dbraw/zinc/26/94/82/535269482.db2.gz LJFFREFYUGOIEF-BSDSXHPESA-N 2 2 337.508 1.676 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000346222038 535269486 /nfs/dbraw/zinc/26/94/86/535269486.db2.gz LJFFREFYUGOIEF-BSDSXHPESA-N 2 2 337.508 1.676 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000051879369 535493876 /nfs/dbraw/zinc/49/38/76/535493876.db2.gz ANHNDPNXLDEFDS-KRWDZBQOSA-N 2 2 330.432 1.976 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000345274040 535536711 /nfs/dbraw/zinc/53/67/11/535536711.db2.gz OYEAEJPCCHSIAQ-QGZVFWFLSA-N 2 2 331.460 1.733 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000345274040 535536713 /nfs/dbraw/zinc/53/67/13/535536713.db2.gz OYEAEJPCCHSIAQ-QGZVFWFLSA-N 2 2 331.460 1.733 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccnn3C)CC2)CC1 ZINC000093141864 535612552 /nfs/dbraw/zinc/61/25/52/535612552.db2.gz WNWMEWLVEHOFSU-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP CCOC(=O)CCC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348078094 535631882 /nfs/dbraw/zinc/63/18/82/535631882.db2.gz GOGWXKKRIIZJQI-CABCVRRESA-N 2 2 340.443 1.608 20 0 EDADLP CCOC(=O)CCC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348078094 535631889 /nfs/dbraw/zinc/63/18/89/535631889.db2.gz GOGWXKKRIIZJQI-CABCVRRESA-N 2 2 340.443 1.608 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@](C)(c3ccccc3)C2)CC1 ZINC000246477766 535637249 /nfs/dbraw/zinc/63/72/49/535637249.db2.gz MZZGGVCRNZOUOV-PXNSSMCTSA-N 2 2 345.487 1.787 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@](C)(c3ccccc3)C2)CC1 ZINC000246477766 535637256 /nfs/dbraw/zinc/63/72/56/535637256.db2.gz MZZGGVCRNZOUOV-PXNSSMCTSA-N 2 2 345.487 1.787 20 0 EDADLP CCOc1ccc(C(C)=O)cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261734123 535710642 /nfs/dbraw/zinc/71/06/42/535710642.db2.gz SAKWEHGAQYEBJB-SFHVURJKSA-N 2 2 331.460 1.767 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352812803 535717428 /nfs/dbraw/zinc/71/74/28/535717428.db2.gz IIXLOTIISIHXOL-OAHLLOKOSA-N 3 2 339.553 1.568 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262924081 535905307 /nfs/dbraw/zinc/90/53/07/535905307.db2.gz HFJIGFYJVIHSSM-CQSZACIVSA-N 2 2 327.375 1.240 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000331743209 536173968 /nfs/dbraw/zinc/17/39/68/536173968.db2.gz GWCPEYNWOQTZEO-CQSZACIVSA-N 2 2 326.466 1.118 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000331743209 536173971 /nfs/dbraw/zinc/17/39/71/536173971.db2.gz GWCPEYNWOQTZEO-CQSZACIVSA-N 2 2 326.466 1.118 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)CC1 ZINC000263236662 536339692 /nfs/dbraw/zinc/33/96/92/536339692.db2.gz DXFMTNPBGSRDIC-IPELMVKDSA-N 3 2 348.535 1.582 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000093412967 536357386 /nfs/dbraw/zinc/35/73/86/536357386.db2.gz ZOBVGTKKFMORQV-UHFFFAOYSA-N 2 2 329.448 1.546 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000093412967 536357391 /nfs/dbraw/zinc/35/73/91/536357391.db2.gz ZOBVGTKKFMORQV-UHFFFAOYSA-N 2 2 329.448 1.546 20 0 EDADLP C[NH2+][C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cnn(C)c1 ZINC000262618955 536384678 /nfs/dbraw/zinc/38/46/78/536384678.db2.gz ZIHKAKICHJZGCM-KRWDZBQOSA-N 2 2 342.447 1.382 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[N@@H+]1C ZINC000742200554 579440263 /nfs/dbraw/zinc/44/02/63/579440263.db2.gz ZCSPLCVXFZAYCO-RDJZCZTQSA-N 2 2 333.501 1.939 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC[N@H+]1C ZINC000742200554 579440264 /nfs/dbraw/zinc/44/02/64/579440264.db2.gz ZCSPLCVXFZAYCO-RDJZCZTQSA-N 2 2 333.501 1.939 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc[nH+]c2N2CCCCC2)C1 ZINC000742249168 579445471 /nfs/dbraw/zinc/44/54/71/579445471.db2.gz QGERWIJQMQQSOR-MRXNPFEDSA-N 2 2 332.448 1.409 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc[nH+]c2N2CCCCC2)C1 ZINC000742249168 579445473 /nfs/dbraw/zinc/44/54/73/579445473.db2.gz QGERWIJQMQQSOR-MRXNPFEDSA-N 2 2 332.448 1.409 20 0 EDADLP O=C1OCCN1c1cccc2c1CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C2 ZINC000743857769 579492601 /nfs/dbraw/zinc/49/26/01/579492601.db2.gz NDDWJKPTMKSOSE-MRXNPFEDSA-N 2 2 345.443 1.458 20 0 EDADLP O=C1OCCN1c1cccc2c1CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C2 ZINC000743857769 579492603 /nfs/dbraw/zinc/49/26/03/579492603.db2.gz NDDWJKPTMKSOSE-MRXNPFEDSA-N 2 2 345.443 1.458 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000726256796 578339322 /nfs/dbraw/zinc/33/93/22/578339322.db2.gz PKAMHNXFRBESHR-BBWFWOEESA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000726256796 578339323 /nfs/dbraw/zinc/33/93/23/578339323.db2.gz PKAMHNXFRBESHR-BBWFWOEESA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000726256796 578339325 /nfs/dbraw/zinc/33/93/25/578339325.db2.gz PKAMHNXFRBESHR-BBWFWOEESA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000726256796 578339327 /nfs/dbraw/zinc/33/93/27/578339327.db2.gz PKAMHNXFRBESHR-BBWFWOEESA-N 2 2 340.512 1.374 20 0 EDADLP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000729681483 578587328 /nfs/dbraw/zinc/58/73/28/578587328.db2.gz DPARZMSTPDJPFZ-HOCLYGCPSA-N 2 2 349.475 1.735 20 0 EDADLP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000729681483 578587329 /nfs/dbraw/zinc/58/73/29/578587329.db2.gz DPARZMSTPDJPFZ-HOCLYGCPSA-N 2 2 349.475 1.735 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000729922141 578600162 /nfs/dbraw/zinc/60/01/62/578600162.db2.gz WFMILUXFMYHWBG-SFHVURJKSA-N 2 2 342.443 1.541 20 0 EDADLP C[NH+]1CCC(CNC(=S)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000760461512 580031305 /nfs/dbraw/zinc/03/13/05/580031305.db2.gz ABBCFVIMTWIAFU-UHFFFAOYSA-N 2 2 347.532 1.416 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000732886028 578734496 /nfs/dbraw/zinc/73/44/96/578734496.db2.gz SWARURABCUOGFO-UHFFFAOYSA-N 2 2 330.436 1.798 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000732886028 578734498 /nfs/dbraw/zinc/73/44/98/578734498.db2.gz SWARURABCUOGFO-UHFFFAOYSA-N 2 2 330.436 1.798 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734265143 578805458 /nfs/dbraw/zinc/80/54/58/578805458.db2.gz KHGBQRIZLGIQFO-CQSZACIVSA-N 2 2 326.404 1.303 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734265143 578805460 /nfs/dbraw/zinc/80/54/60/578805460.db2.gz KHGBQRIZLGIQFO-CQSZACIVSA-N 2 2 326.404 1.303 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000735187336 578866696 /nfs/dbraw/zinc/86/66/96/578866696.db2.gz NVJZKJMKZRZRCU-ZWKOTPCHSA-N 2 2 346.475 1.141 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000735187336 578866697 /nfs/dbraw/zinc/86/66/97/578866697.db2.gz NVJZKJMKZRZRCU-ZWKOTPCHSA-N 2 2 346.475 1.141 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)OC/C=C\COC(=O)[C@H]1CCCC[N@H+]1C ZINC000745082733 579536955 /nfs/dbraw/zinc/53/69/55/579536955.db2.gz QVRUIHHFPVPWMF-CMKSSICZSA-N 2 2 338.448 1.598 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)OC/C=C\COC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745082733 579536957 /nfs/dbraw/zinc/53/69/57/579536957.db2.gz QVRUIHHFPVPWMF-CMKSSICZSA-N 2 2 338.448 1.598 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OC/C=C\COC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745082733 579536959 /nfs/dbraw/zinc/53/69/59/579536959.db2.gz QVRUIHHFPVPWMF-CMKSSICZSA-N 2 2 338.448 1.598 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OC/C=C\COC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745082733 579536961 /nfs/dbraw/zinc/53/69/61/579536961.db2.gz QVRUIHHFPVPWMF-CMKSSICZSA-N 2 2 338.448 1.598 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)NC4(CCCCC4)C3=O)C2)CC1 ZINC000777652242 580447616 /nfs/dbraw/zinc/44/76/16/580447616.db2.gz KDARCJIGWQPCQP-HNNXBMFYSA-N 2 2 334.464 1.410 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)NC4(CCCCC4)C3=O)C2)CC1 ZINC000777652242 580447617 /nfs/dbraw/zinc/44/76/17/580447617.db2.gz KDARCJIGWQPCQP-HNNXBMFYSA-N 2 2 334.464 1.410 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(n2cc([C@@H](C)O)nn2)C1 ZINC000753569113 579882974 /nfs/dbraw/zinc/88/29/74/579882974.db2.gz FIOHCPZGFOFUPW-CYBMUJFWSA-N 2 2 339.403 1.277 20 0 EDADLP C[NH+]1CCC([C@@H]2CC[N@H+](CN3c4ccccc4C(=O)C3=O)C2)CC1 ZINC000755776859 579934743 /nfs/dbraw/zinc/93/47/43/579934743.db2.gz DEPXQWXIJPAUMP-OAHLLOKOSA-N 2 2 327.428 1.837 20 0 EDADLP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3c4ccccc4C(=O)C3=O)C2)CC1 ZINC000755776859 579934744 /nfs/dbraw/zinc/93/47/44/579934744.db2.gz DEPXQWXIJPAUMP-OAHLLOKOSA-N 2 2 327.428 1.837 20 0 EDADLP COC1CC[NH+](CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000759162081 579999905 /nfs/dbraw/zinc/99/99/05/579999905.db2.gz JYSUSMSNARISFE-UHFFFAOYSA-N 2 2 329.485 1.990 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1c2cnccc2n(C)c1=O ZINC000762075851 580066360 /nfs/dbraw/zinc/06/63/60/580066360.db2.gz SALXTVVZYYHCGM-UHFFFAOYSA-N 2 2 342.447 1.864 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1c2cnccc2n(C)c1=O ZINC000762075851 580066361 /nfs/dbraw/zinc/06/63/61/580066361.db2.gz SALXTVVZYYHCGM-UHFFFAOYSA-N 2 2 342.447 1.864 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000765350734 580140332 /nfs/dbraw/zinc/14/03/32/580140332.db2.gz SMIXPKZYXZOEGB-HOTGVXAUSA-N 2 2 341.459 1.432 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000767815600 580200748 /nfs/dbraw/zinc/20/07/48/580200748.db2.gz ZCRKXSQNLMGBGO-CVEARBPZSA-N 2 2 331.464 1.793 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000767815600 580200749 /nfs/dbraw/zinc/20/07/49/580200749.db2.gz ZCRKXSQNLMGBGO-CVEARBPZSA-N 2 2 331.464 1.793 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000770025489 580251431 /nfs/dbraw/zinc/25/14/31/580251431.db2.gz NLEHKBHKBDGDNR-HOTGVXAUSA-N 2 2 332.448 1.237 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000770025489 580251432 /nfs/dbraw/zinc/25/14/32/580251432.db2.gz NLEHKBHKBDGDNR-HOTGVXAUSA-N 2 2 332.448 1.237 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCCC(C)(C)C2)CCO1 ZINC000770478219 580261840 /nfs/dbraw/zinc/26/18/40/580261840.db2.gz XJSCKXFRGGGISW-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCCC(C)(C)C2)CCO1 ZINC000770478219 580261841 /nfs/dbraw/zinc/26/18/41/580261841.db2.gz XJSCKXFRGGGISW-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC000770478219 580261842 /nfs/dbraw/zinc/26/18/42/580261842.db2.gz XJSCKXFRGGGISW-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC000770478219 580261843 /nfs/dbraw/zinc/26/18/43/580261843.db2.gz XJSCKXFRGGGISW-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)OCCn1cc[nH+]c1 ZINC000771978807 580300037 /nfs/dbraw/zinc/30/00/37/580300037.db2.gz PIWAFNACJXGVMH-KRWDZBQOSA-N 2 2 329.400 1.717 20 0 EDADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)OCCn1cc[nH+]c1 ZINC000771978807 580300038 /nfs/dbraw/zinc/30/00/38/580300038.db2.gz PIWAFNACJXGVMH-KRWDZBQOSA-N 2 2 329.400 1.717 20 0 EDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C1CCN(C=O)CC1 ZINC000774299541 580359138 /nfs/dbraw/zinc/35/91/38/580359138.db2.gz HKQQJXCDGYZBEO-UHFFFAOYSA-N 2 2 346.475 1.870 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000774562815 580365717 /nfs/dbraw/zinc/36/57/17/580365717.db2.gz YVWZNLNKFSOIBC-WMLDXEAASA-N 2 2 334.420 1.279 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000774562815 580365718 /nfs/dbraw/zinc/36/57/18/580365718.db2.gz YVWZNLNKFSOIBC-WMLDXEAASA-N 2 2 334.420 1.279 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000783775948 580606011 /nfs/dbraw/zinc/60/60/11/580606011.db2.gz KBRUQLJXVNCSMK-VGWMRTNUSA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)OC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000786828618 580680467 /nfs/dbraw/zinc/68/04/67/580680467.db2.gz YRILXUGETODOOI-INIZCTEOSA-N 2 2 332.444 1.699 20 0 EDADLP Cc1ccc(N2CC[C@H]([NH+]3CCN(c4[nH]cc[nH+]4)CC3)C2=O)cc1 ZINC000788005338 580713014 /nfs/dbraw/zinc/71/30/14/580713014.db2.gz XEHXEEBWHZJMER-INIZCTEOSA-N 2 2 325.416 1.646 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CCO1 ZINC000790706958 580776648 /nfs/dbraw/zinc/77/66/48/580776648.db2.gz KEVYPKWYODUKSD-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CCO1 ZINC000790706958 580776649 /nfs/dbraw/zinc/77/66/49/580776649.db2.gz KEVYPKWYODUKSD-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000790706958 580776650 /nfs/dbraw/zinc/77/66/50/580776650.db2.gz KEVYPKWYODUKSD-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC000790706958 580776651 /nfs/dbraw/zinc/77/66/51/580776651.db2.gz KEVYPKWYODUKSD-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)C2=O)cc1 ZINC000793702859 580852401 /nfs/dbraw/zinc/85/24/01/580852401.db2.gz YNBLFRRIDRROEI-APWZRJJASA-N 2 2 327.428 1.655 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([NH+]3CC[C@]4(CC[N@H+](C)C4)C3)C2=O)cc1 ZINC000793702859 580852402 /nfs/dbraw/zinc/85/24/02/580852402.db2.gz YNBLFRRIDRROEI-APWZRJJASA-N 2 2 327.428 1.655 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)C2=O)cc1 ZINC000793702859 580852403 /nfs/dbraw/zinc/85/24/03/580852403.db2.gz YNBLFRRIDRROEI-APWZRJJASA-N 2 2 327.428 1.655 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@]4(CC[NH+](C)C4)C3)C2=O)cc1 ZINC000793702859 580852404 /nfs/dbraw/zinc/85/24/04/580852404.db2.gz YNBLFRRIDRROEI-APWZRJJASA-N 2 2 327.428 1.655 20 0 EDADLP CCC[C@]12CCCN1C(=O)N([C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2=O ZINC000794775284 580905563 /nfs/dbraw/zinc/90/55/63/580905563.db2.gz HHISWQIEYMVXPL-VQIMIIECSA-N 2 2 348.491 1.752 20 0 EDADLP CCC[C@]12CCCN1C(=O)N([C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2=O ZINC000794775284 580905564 /nfs/dbraw/zinc/90/55/64/580905564.db2.gz HHISWQIEYMVXPL-VQIMIIECSA-N 2 2 348.491 1.752 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000799338779 581025880 /nfs/dbraw/zinc/02/58/80/581025880.db2.gz AZRAFCJAQWCOBP-UONOGXRCSA-N 2 2 326.872 1.931 20 0 EDADLP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000800991401 581063570 /nfs/dbraw/zinc/06/35/70/581063570.db2.gz GTOSOWADHNTNJA-GOSISDBHSA-N 2 2 333.476 1.479 20 0 EDADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000891817721 590635723 /nfs/dbraw/zinc/63/57/23/590635723.db2.gz BFUKSOKDZJRJRR-JKSUJKDBSA-N 2 2 325.416 1.212 20 0 EDADLP [NH3+][C@H](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000891819768 590637327 /nfs/dbraw/zinc/63/73/27/590637327.db2.gz SINGWROMKRDSDY-HZPDHXFCSA-N 2 2 327.432 1.457 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]3CCC[NH2+]3)C2)c1 ZINC000892004798 590739563 /nfs/dbraw/zinc/73/95/63/590739563.db2.gz HYAHFUUTLPUTFT-QZTJIDSGSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3CCC[NH2+]3)C2)c1 ZINC000892004798 590739569 /nfs/dbraw/zinc/73/95/69/590739569.db2.gz HYAHFUUTLPUTFT-QZTJIDSGSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC(C)(C)[NH3+])C2)c1 ZINC000892033111 590762130 /nfs/dbraw/zinc/76/21/30/590762130.db2.gz CKAJYLUVUARCIX-MRXNPFEDSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCC(C)(C)[NH3+])C2)c1 ZINC000892033111 590762133 /nfs/dbraw/zinc/76/21/33/590762133.db2.gz CKAJYLUVUARCIX-MRXNPFEDSA-N 2 2 334.464 1.232 20 0 EDADLP COC(=O)c1c[nH]c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1C1CC1 ZINC000892114668 590806204 /nfs/dbraw/zinc/80/62/04/590806204.db2.gz GOAKBGGQUUWFMP-CQSZACIVSA-N 2 2 347.459 1.833 20 0 EDADLP COC(=O)c1c[nH]c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1C1CC1 ZINC000892114668 590806208 /nfs/dbraw/zinc/80/62/08/590806208.db2.gz GOAKBGGQUUWFMP-CQSZACIVSA-N 2 2 347.459 1.833 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)c1 ZINC000892174913 590845189 /nfs/dbraw/zinc/84/51/89/590845189.db2.gz HPCAOHOKINQDOQ-SFHVURJKSA-N 2 2 331.460 1.742 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000892199950 590861162 /nfs/dbraw/zinc/86/11/62/590861162.db2.gz OFDXISPPOFIVEV-JFIYKMOQSA-N 2 2 348.491 1.621 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])C2)cc1 ZINC000892199950 590861164 /nfs/dbraw/zinc/86/11/64/590861164.db2.gz OFDXISPPOFIVEV-JFIYKMOQSA-N 2 2 348.491 1.621 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000892281979 590911917 /nfs/dbraw/zinc/91/19/17/590911917.db2.gz RSTTWTXTKLNLTF-RDJZCZTQSA-N 2 2 325.416 1.718 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000892281979 590911920 /nfs/dbraw/zinc/91/19/20/590911920.db2.gz RSTTWTXTKLNLTF-RDJZCZTQSA-N 2 2 325.416 1.718 20 0 EDADLP CC[C@H](CO)Nc1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000893563888 590962707 /nfs/dbraw/zinc/96/27/07/590962707.db2.gz LVUFSODKKZSECE-QLFBSQMISA-N 2 2 337.468 1.205 20 0 EDADLP CC[C@H](CO)Nc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc[nH+]1 ZINC000893563888 590962709 /nfs/dbraw/zinc/96/27/09/590962709.db2.gz LVUFSODKKZSECE-QLFBSQMISA-N 2 2 337.468 1.205 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCC(OCC[NH+](C)C)CC2)nc[nH+]1 ZINC000892486650 591045207 /nfs/dbraw/zinc/04/52/07/591045207.db2.gz XRTJUEYNRDNCAM-AWEZNQCLSA-N 2 2 337.468 1.206 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCC(OCC[NH+](C)C)CC2)[nH+]cn1 ZINC000892486650 591045211 /nfs/dbraw/zinc/04/52/11/591045211.db2.gz XRTJUEYNRDNCAM-AWEZNQCLSA-N 2 2 337.468 1.206 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(OC(F)F)cc2F)[C@H](C[NH3+])C1 ZINC000892541425 591066219 /nfs/dbraw/zinc/06/62/19/591066219.db2.gz ANCSVKNMOGDHNS-LLVKDONJSA-N 2 2 346.353 1.211 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(OC(F)F)cc2F)[C@H](C[NH3+])C1 ZINC000892541425 591066221 /nfs/dbraw/zinc/06/62/21/591066221.db2.gz ANCSVKNMOGDHNS-LLVKDONJSA-N 2 2 346.353 1.211 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562760 591073438 /nfs/dbraw/zinc/07/34/38/591073438.db2.gz KRIFFFMNVAWMRU-JKSUJKDBSA-N 2 2 340.431 1.645 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562760 591073442 /nfs/dbraw/zinc/07/34/42/591073442.db2.gz KRIFFFMNVAWMRU-JKSUJKDBSA-N 2 2 340.431 1.645 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC000891462003 591080343 /nfs/dbraw/zinc/08/03/43/591080343.db2.gz PLAOBNLILUMVDZ-HKUYNNGSSA-N 3 2 349.523 1.129 20 0 EDADLP COc1ccc([C@@H](CNc2cc[nH+]cc2CO)[NH+]2CCOCC2)cc1 ZINC000891486623 591089647 /nfs/dbraw/zinc/08/96/47/591089647.db2.gz NFACLJNIZURBTB-LJQANCHMSA-N 2 2 343.427 1.490 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000892610177 591094248 /nfs/dbraw/zinc/09/42/48/591094248.db2.gz ANQWVPMOHMHCNE-HKUYNNGSSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)cc1 ZINC000892610177 591094252 /nfs/dbraw/zinc/09/42/52/591094252.db2.gz ANQWVPMOHMHCNE-HKUYNNGSSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])C2)cc1 ZINC000892610553 591094885 /nfs/dbraw/zinc/09/48/85/591094885.db2.gz CRFFJCCVQUYLPZ-WBVHZDCISA-N 2 2 334.464 1.184 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])C2)cc1 ZINC000892610553 591094890 /nfs/dbraw/zinc/09/48/90/591094890.db2.gz CRFFJCCVQUYLPZ-WBVHZDCISA-N 2 2 334.464 1.184 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000891517840 591102474 /nfs/dbraw/zinc/10/24/74/591102474.db2.gz MGSFOCOLTPIDTC-SOUVJXGZSA-N 2 2 326.485 1.173 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000892751990 591160814 /nfs/dbraw/zinc/16/08/14/591160814.db2.gz WKVQZHOAMNVHCW-UHFFFAOYSA-N 2 2 330.407 1.968 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H]1OC ZINC000892757347 591162205 /nfs/dbraw/zinc/16/22/05/591162205.db2.gz INZPSKTYODZQLP-GUDVDZBRSA-N 3 2 348.491 1.376 20 0 EDADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc(OC)cc32)CC1 ZINC000891704992 591192932 /nfs/dbraw/zinc/19/29/32/591192932.db2.gz NBHIGUQFMXQGKY-UHFFFAOYSA-N 2 2 328.416 1.502 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000892837962 591200528 /nfs/dbraw/zinc/20/05/28/591200528.db2.gz JDNQNSWUMYYNNX-ZFWWWQNUSA-N 2 2 345.447 1.551 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[NH2+]CC2([NH+]3CCSCC3)CCCC2)C1(F)F ZINC000894173584 591216594 /nfs/dbraw/zinc/21/65/94/591216594.db2.gz KVZIHBUSOIMLOS-CHWSQXEVSA-N 2 2 348.459 1.992 20 0 EDADLP CC(C)(C)OCCC[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000895637983 591238516 /nfs/dbraw/zinc/23/85/16/591238516.db2.gz BSOCIOVJMVNMJP-UHFFFAOYSA-N 2 2 341.540 1.920 20 0 EDADLP Cc1c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)ccnc1F ZINC000895686616 591249614 /nfs/dbraw/zinc/24/96/14/591249614.db2.gz TUNMDIQUJGFORA-QGZVFWFLSA-N 2 2 336.455 1.415 20 0 EDADLP Cc1ccc(CC[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000895684161 591252452 /nfs/dbraw/zinc/25/24/52/591252452.db2.gz AFWXBFSASSHXIH-FQEVSTJZSA-N 2 2 331.504 1.924 20 0 EDADLP C[NH+](C)C[C@@H]1C[NH+](C[C@@H]2C[C@@]2(C)Br)C[C@H]1C[NH+](C)C ZINC000895700687 591252913 /nfs/dbraw/zinc/25/29/13/591252913.db2.gz ZMSITLCSBULIOR-APIJFGDWSA-N 3 2 332.330 1.831 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)nc2)CC1 ZINC000895745559 591263727 /nfs/dbraw/zinc/26/37/27/591263727.db2.gz BVELATOISVFZNT-OAHLLOKOSA-N 2 2 331.464 1.645 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+]3C(C)(C)C)nc2)CC1 ZINC000895745559 591263728 /nfs/dbraw/zinc/26/37/28/591263728.db2.gz BVELATOISVFZNT-OAHLLOKOSA-N 2 2 331.464 1.645 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCCc2c[nH+]cn2C)cc1 ZINC000897366175 591342225 /nfs/dbraw/zinc/34/22/25/591342225.db2.gz ZKNXKWVAGWQQBE-KRWDZBQOSA-N 2 2 330.432 1.827 20 0 EDADLP Cc1cc(Br)cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)[nH+]1 ZINC000894727256 591396540 /nfs/dbraw/zinc/39/65/40/591396540.db2.gz ZCHKNLOZOPSUCJ-LBPRGKRZSA-N 2 2 341.253 1.904 20 0 EDADLP Cc1cc(Br)cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)[nH+]1 ZINC000894727256 591396545 /nfs/dbraw/zinc/39/65/45/591396545.db2.gz ZCHKNLOZOPSUCJ-LBPRGKRZSA-N 2 2 341.253 1.904 20 0 EDADLP COC/C=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866956661 591400395 /nfs/dbraw/zinc/40/03/95/591400395.db2.gz FTZAXWJGULUQBU-CVRCPQJVSA-N 2 2 337.508 1.985 20 0 EDADLP COC/C=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866956661 591400397 /nfs/dbraw/zinc/40/03/97/591400397.db2.gz FTZAXWJGULUQBU-CVRCPQJVSA-N 2 2 337.508 1.985 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]CCC2(CO)CC2)CC1 ZINC000894742703 591405838 /nfs/dbraw/zinc/40/58/38/591405838.db2.gz GWQMMYPWUCQFDB-UHFFFAOYSA-N 2 2 341.496 1.728 20 0 EDADLP CC(=O)c1cncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000896325628 591419159 /nfs/dbraw/zinc/41/91/59/591419159.db2.gz QRKRDGXBWOBOCA-INIZCTEOSA-N 2 2 330.432 1.183 20 0 EDADLP CC(=O)c1cncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000896325628 591419163 /nfs/dbraw/zinc/41/91/63/591419163.db2.gz QRKRDGXBWOBOCA-INIZCTEOSA-N 2 2 330.432 1.183 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCc2cn(C)c[nH+]2)cc1 ZINC000898622931 591446178 /nfs/dbraw/zinc/44/61/78/591446178.db2.gz XJERMVFGQHAMPZ-MRXNPFEDSA-N 2 2 331.420 1.531 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000898626671 591449490 /nfs/dbraw/zinc/44/94/90/591449490.db2.gz FGEVMWSTJGDOOP-KRWDZBQOSA-N 2 2 327.432 1.836 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000898626671 591449494 /nfs/dbraw/zinc/44/94/94/591449494.db2.gz FGEVMWSTJGDOOP-KRWDZBQOSA-N 2 2 327.432 1.836 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N(CCc2ccccc2)CC[NH+](C)C)c1 ZINC000898633292 591455250 /nfs/dbraw/zinc/45/52/50/591455250.db2.gz SWUFURJIBWSLRJ-UHFFFAOYSA-N 2 2 329.448 1.736 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000896629110 591558224 /nfs/dbraw/zinc/55/82/24/591558224.db2.gz ASYNMSFUZPBQBL-DLBZAZTESA-N 2 2 340.512 1.471 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000898964613 591619188 /nfs/dbraw/zinc/61/91/88/591619188.db2.gz GQPDEFSKMNBITD-KBPBESRZSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000898964613 591619189 /nfs/dbraw/zinc/61/91/89/591619189.db2.gz GQPDEFSKMNBITD-KBPBESRZSA-N 2 2 345.447 1.239 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895211150 591658987 /nfs/dbraw/zinc/65/89/87/591658987.db2.gz IIJBVQPJQKIKBD-ZNMIVQPWSA-N 2 2 335.452 1.205 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895211150 591658990 /nfs/dbraw/zinc/65/89/90/591658990.db2.gz IIJBVQPJQKIKBD-ZNMIVQPWSA-N 2 2 335.452 1.205 20 0 EDADLP C[C@@H]1CC2(CC([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)C2)CO1 ZINC000897780636 591665657 /nfs/dbraw/zinc/66/56/57/591665657.db2.gz YAZKQSPJPNZICP-IPJUCJBFSA-N 2 2 337.508 1.330 20 0 EDADLP C[C@@H]1CC2(CC([NH2+]C3CC[NH+](CCN4CCOCC4)CC3)C2)CO1 ZINC000897780636 591665659 /nfs/dbraw/zinc/66/56/59/591665659.db2.gz YAZKQSPJPNZICP-IPJUCJBFSA-N 2 2 337.508 1.330 20 0 EDADLP Cc1[nH]c(CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[nH+]c1C ZINC000896906931 591671003 /nfs/dbraw/zinc/67/10/03/591671003.db2.gz YAMMWMAVYNJDKT-LBPRGKRZSA-N 2 2 339.440 1.098 20 0 EDADLP Cc1cnc(F)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896988514 591706071 /nfs/dbraw/zinc/70/60/71/591706071.db2.gz KFIBJNWTPIYBRD-HNNXBMFYSA-N 2 2 334.439 1.770 20 0 EDADLP Cc1cnc(F)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896988514 591706072 /nfs/dbraw/zinc/70/60/72/591706072.db2.gz KFIBJNWTPIYBRD-HNNXBMFYSA-N 2 2 334.439 1.770 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c[nH+]1 ZINC000899159947 591707576 /nfs/dbraw/zinc/70/75/76/591707576.db2.gz YOGCUSDMDXVKQW-HZPDHXFCSA-N 3 2 335.496 1.124 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000899958513 591844127 /nfs/dbraw/zinc/84/41/27/591844127.db2.gz UXWKPTAERQXQRG-INIZCTEOSA-N 2 2 336.480 1.415 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3nnn(CCC[NH2+]C4CC4)n3)C2)cc1 ZINC000899629809 591878942 /nfs/dbraw/zinc/87/89/42/591878942.db2.gz MLUWAPTWTHIEHY-KRWDZBQOSA-N 2 2 342.447 1.389 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3nnn(CCC[NH2+]C4CC4)n3)C2)cc1 ZINC000899629809 591878946 /nfs/dbraw/zinc/87/89/46/591878946.db2.gz MLUWAPTWTHIEHY-KRWDZBQOSA-N 2 2 342.447 1.389 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+]1CCc2sccc2C1 ZINC000900159147 591921206 /nfs/dbraw/zinc/92/12/06/591921206.db2.gz WVTYICSXYWISFL-SUYBPPKGSA-N 2 2 337.489 1.066 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[NH+]1CCc2sccc2C1 ZINC000900159147 591921209 /nfs/dbraw/zinc/92/12/09/591921209.db2.gz WVTYICSXYWISFL-SUYBPPKGSA-N 2 2 337.489 1.066 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)[N@@H+]1CCc2sccc2C1 ZINC000900159147 591921212 /nfs/dbraw/zinc/92/12/12/591921212.db2.gz WVTYICSXYWISFL-SUYBPPKGSA-N 2 2 337.489 1.066 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)[N@H+]1CCc2sccc2C1 ZINC000900159147 591921215 /nfs/dbraw/zinc/92/12/15/591921215.db2.gz WVTYICSXYWISFL-SUYBPPKGSA-N 2 2 337.489 1.066 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C34CC[NH+](CC3)C4)c[nH+]2)CCO1 ZINC000900214645 591945421 /nfs/dbraw/zinc/94/54/21/591945421.db2.gz GSGSSOAFHYOTRL-CQSZACIVSA-N 2 2 330.432 1.019 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000899877211 591969429 /nfs/dbraw/zinc/96/94/29/591969429.db2.gz XOGCHSPXEWTJSP-VXGBXAGGSA-N 2 2 348.356 1.881 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000899877211 591969431 /nfs/dbraw/zinc/96/94/31/591969431.db2.gz XOGCHSPXEWTJSP-VXGBXAGGSA-N 2 2 348.356 1.881 20 0 EDADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000900365345 591997545 /nfs/dbraw/zinc/99/75/45/591997545.db2.gz HSADPUUSPDBQDT-ZDUSSCGKSA-N 2 2 344.463 1.916 20 0 EDADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4C[NH2+]CCOC4)C[C@@H]3C2)cc1 ZINC000902516466 592009144 /nfs/dbraw/zinc/00/91/44/592009144.db2.gz DWNFABDUJZHEIN-YRPNKDGESA-N 3 2 329.488 1.865 20 0 EDADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4C[NH2+]CCOC4)C[C@@H]3C2)cc1 ZINC000902516466 592009146 /nfs/dbraw/zinc/00/91/46/592009146.db2.gz DWNFABDUJZHEIN-YRPNKDGESA-N 3 2 329.488 1.865 20 0 EDADLP CC(C)(C[NH3+])C1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000900409076 592010740 /nfs/dbraw/zinc/01/07/40/592010740.db2.gz IBQDTGSKXXEVAR-OAHLLOKOSA-N 2 2 333.480 1.639 20 0 EDADLP CC(C)(C[NH3+])C1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000900409076 592010743 /nfs/dbraw/zinc/01/07/43/592010743.db2.gz IBQDTGSKXXEVAR-OAHLLOKOSA-N 2 2 333.480 1.639 20 0 EDADLP CCn1cc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000902727606 592053236 /nfs/dbraw/zinc/05/32/36/592053236.db2.gz XXTABENGDNITOA-MRXNPFEDSA-N 2 2 344.419 1.197 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000902939923 592088147 /nfs/dbraw/zinc/08/81/47/592088147.db2.gz KXPRSOAMCJRZRV-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000900695236 592088448 /nfs/dbraw/zinc/08/84/48/592088448.db2.gz OCHRSRZIHCKRID-MRXNPFEDSA-N 2 2 327.432 1.856 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000900695236 592088451 /nfs/dbraw/zinc/08/84/51/592088451.db2.gz OCHRSRZIHCKRID-MRXNPFEDSA-N 2 2 327.432 1.856 20 0 EDADLP C[C@H](c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCN(c2nccnn2)CC1 ZINC000903065702 592112466 /nfs/dbraw/zinc/11/24/66/592112466.db2.gz XRJSOKUGTZWRGW-OAHLLOKOSA-N 2 2 335.415 1.941 20 0 EDADLP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[NH+](C4CC4)C[C@@H]3C)C2)[C@@H]1C(C)C ZINC000903122006 592124241 /nfs/dbraw/zinc/12/42/41/592124241.db2.gz WFUVWARVVVCJJD-IYHZHHKNSA-N 3 2 335.536 1.929 20 0 EDADLP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[NH+](C4CC4)C[C@@H]3C)C2)[C@@H]1C(C)C ZINC000903122006 592124243 /nfs/dbraw/zinc/12/42/43/592124243.db2.gz WFUVWARVVVCJJD-IYHZHHKNSA-N 3 2 335.536 1.929 20 0 EDADLP CC[NH+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)[C@@H]1C(C)C ZINC000903122006 592124245 /nfs/dbraw/zinc/12/42/45/592124245.db2.gz WFUVWARVVVCJJD-IYHZHHKNSA-N 3 2 335.536 1.929 20 0 EDADLP CC[NH+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)[C@@H]1C(C)C ZINC000903122006 592124247 /nfs/dbraw/zinc/12/42/47/592124247.db2.gz WFUVWARVVVCJJD-IYHZHHKNSA-N 3 2 335.536 1.929 20 0 EDADLP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2OC)N(c2cc(N(C)C)[nH+]cn2)C1 ZINC000903213419 592140048 /nfs/dbraw/zinc/14/00/48/592140048.db2.gz OMRLCLMLZVYKDK-JONQDZQNSA-N 2 2 349.479 1.293 20 0 EDADLP Cc1cccc(NCCNC(=O)CCCN2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000900862958 592150491 /nfs/dbraw/zinc/15/04/91/592150491.db2.gz JILPPCFPSKPAOX-UHFFFAOYSA-N 2 2 347.507 1.724 20 0 EDADLP Cc1cccc(NCCNC(=O)CCC[NH+]2CCN(C(C)C)CC2)[nH+]1 ZINC000900862958 592150495 /nfs/dbraw/zinc/15/04/95/592150495.db2.gz JILPPCFPSKPAOX-UHFFFAOYSA-N 2 2 347.507 1.724 20 0 EDADLP C/C(=C/C(=O)N1CC[N@@H+](C)CC12CCCCC2)C[NH+]1CCOCC1 ZINC000900905148 592167544 /nfs/dbraw/zinc/16/75/44/592167544.db2.gz YJKSVWXYPKUJLH-VKAVYKQESA-N 2 2 335.492 1.742 20 0 EDADLP C/C(=C/C(=O)N1CC[N@H+](C)CC12CCCCC2)C[NH+]1CCOCC1 ZINC000900905148 592167545 /nfs/dbraw/zinc/16/75/45/592167545.db2.gz YJKSVWXYPKUJLH-VKAVYKQESA-N 2 2 335.492 1.742 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CCc2[nH]c3ccccc3c2C1 ZINC000903468688 592174728 /nfs/dbraw/zinc/17/47/28/592174728.db2.gz NQHMBMLCAMYIFI-GOSISDBHSA-N 2 2 338.455 1.927 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903484684 592177743 /nfs/dbraw/zinc/17/77/43/592177743.db2.gz VEBUJZNEBGMYTD-ROUUACIJSA-N 3 2 344.503 1.670 20 0 EDADLP CC(C)(C)c1ccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000903569232 592224126 /nfs/dbraw/zinc/22/41/26/592224126.db2.gz XNDDSIRQHYIZHB-UHFFFAOYSA-N 2 2 339.505 1.686 20 0 EDADLP COCCOc1cccc(CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)c1 ZINC000904496485 592271923 /nfs/dbraw/zinc/27/19/23/592271923.db2.gz ZVZGQUUVXSBERS-IAGOWNOFSA-N 2 2 330.432 1.372 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)ccc2n1C1CC1 ZINC000908057902 592278007 /nfs/dbraw/zinc/27/80/07/592278007.db2.gz AHRGMBZJRQBOAM-HNAYVOBHSA-N 2 2 342.443 1.751 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)ccc2n1C1CC1 ZINC000908057902 592278009 /nfs/dbraw/zinc/27/80/09/592278009.db2.gz AHRGMBZJRQBOAM-HNAYVOBHSA-N 2 2 342.443 1.751 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c2ncccc12 ZINC000903717583 592280861 /nfs/dbraw/zinc/28/08/61/592280861.db2.gz SHHLDJKFDZTGSM-LRDDRELGSA-N 2 2 329.400 1.569 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)c2ncccc12 ZINC000903717583 592280866 /nfs/dbraw/zinc/28/08/66/592280866.db2.gz SHHLDJKFDZTGSM-LRDDRELGSA-N 2 2 329.400 1.569 20 0 EDADLP CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752238 592295591 /nfs/dbraw/zinc/29/55/91/592295591.db2.gz LOHZZNHXXWNLGK-WSTZPKSXSA-N 2 2 346.471 1.861 20 0 EDADLP CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903752238 592295595 /nfs/dbraw/zinc/29/55/95/592295595.db2.gz LOHZZNHXXWNLGK-WSTZPKSXSA-N 2 2 346.471 1.861 20 0 EDADLP Cc1sc(C[NH3+])nc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000904645252 592302552 /nfs/dbraw/zinc/30/25/52/592302552.db2.gz VLSKUCMUPFTIJF-MNOVXSKESA-N 2 2 335.433 1.886 20 0 EDADLP Cc1sc(C[NH3+])nc1-c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000904645252 592302555 /nfs/dbraw/zinc/30/25/55/592302555.db2.gz VLSKUCMUPFTIJF-MNOVXSKESA-N 2 2 335.433 1.886 20 0 EDADLP CC(C)(C)n1nnc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903794026 592317451 /nfs/dbraw/zinc/31/74/51/592317451.db2.gz YDKNGXQYGRUFSK-UHFFFAOYSA-N 2 2 328.464 1.921 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000903858688 592348925 /nfs/dbraw/zinc/34/89/25/592348925.db2.gz YCURTHUBABTRHG-JLTOFOAXSA-N 2 2 338.455 1.866 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000903858688 592348927 /nfs/dbraw/zinc/34/89/27/592348927.db2.gz YCURTHUBABTRHG-JLTOFOAXSA-N 2 2 338.455 1.866 20 0 EDADLP Cc1nnc([C@@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898081 592369165 /nfs/dbraw/zinc/36/91/65/592369165.db2.gz IQSMZVCMDOXXRM-KGLIPLIRSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nnc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898081 592369170 /nfs/dbraw/zinc/36/91/70/592369170.db2.gz IQSMZVCMDOXXRM-KGLIPLIRSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903898081 592369174 /nfs/dbraw/zinc/36/91/74/592369174.db2.gz IQSMZVCMDOXXRM-KGLIPLIRSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903898081 592369176 /nfs/dbraw/zinc/36/91/76/592369176.db2.gz IQSMZVCMDOXXRM-KGLIPLIRSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nc([C@@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903898081 592369181 /nfs/dbraw/zinc/36/91/81/592369181.db2.gz IQSMZVCMDOXXRM-KGLIPLIRSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nc([C@@H]2CCC[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903898081 592369186 /nfs/dbraw/zinc/36/91/86/592369186.db2.gz IQSMZVCMDOXXRM-KGLIPLIRSA-N 2 2 330.440 1.009 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000906877776 592379759 /nfs/dbraw/zinc/37/97/59/592379759.db2.gz BMSKLQDNQSOQFE-AWEZNQCLSA-N 2 2 333.432 1.716 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cnn1C ZINC000903934188 592386764 /nfs/dbraw/zinc/38/67/64/592386764.db2.gz DCYOYJRZJPDQSP-YUELXQCFSA-N 3 2 347.429 1.305 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cnn1C ZINC000903934188 592386769 /nfs/dbraw/zinc/38/67/69/592386769.db2.gz DCYOYJRZJPDQSP-YUELXQCFSA-N 3 2 347.429 1.305 20 0 EDADLP C[C@@](O)(C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000905079780 592388430 /nfs/dbraw/zinc/38/84/30/592388430.db2.gz IWOFTZHWCCIOPO-MRXNPFEDSA-N 3 2 328.407 1.199 20 0 EDADLP C[C@](O)(C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C(F)F ZINC000905072743 592402366 /nfs/dbraw/zinc/40/23/66/592402366.db2.gz SGXJCBDEGGZRMW-KRWDZBQOSA-N 2 2 344.402 1.503 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905178736 592441097 /nfs/dbraw/zinc/44/10/97/592441097.db2.gz CZBUNODJKFVOHU-YJBOKZPZSA-N 2 2 349.475 1.099 20 0 EDADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000904310028 592474000 /nfs/dbraw/zinc/47/40/00/592474000.db2.gz VIBIXMNCZJZIDL-CABCVRRESA-N 2 2 333.542 1.934 20 0 EDADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000904310028 592474003 /nfs/dbraw/zinc/47/40/03/592474003.db2.gz VIBIXMNCZJZIDL-CABCVRRESA-N 2 2 333.542 1.934 20 0 EDADLP O[C@@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000905245388 592475231 /nfs/dbraw/zinc/47/52/31/592475231.db2.gz CVKWVISDYFZRMO-MJGOQNOKSA-N 2 2 340.508 1.525 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC000905382467 592513026 /nfs/dbraw/zinc/51/30/26/592513026.db2.gz PPINSOYMLNKCTM-RBUKOAKNSA-N 2 2 347.503 1.058 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC000905382467 592513027 /nfs/dbraw/zinc/51/30/27/592513027.db2.gz PPINSOYMLNKCTM-RBUKOAKNSA-N 2 2 347.503 1.058 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449852 592529384 /nfs/dbraw/zinc/52/93/84/592529384.db2.gz GWOUHXKYZVABRV-QUCCMNQESA-N 2 2 343.471 1.224 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1CC1CC1 ZINC000905449852 592529386 /nfs/dbraw/zinc/52/93/86/592529386.db2.gz GWOUHXKYZVABRV-QUCCMNQESA-N 2 2 343.471 1.224 20 0 EDADLP CO[C@]1(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCSC1 ZINC000905544917 592557843 /nfs/dbraw/zinc/55/78/43/592557843.db2.gz CPKBCQXYRJHTKI-MSOLQXFVSA-N 2 2 336.501 1.517 20 0 EDADLP CO[C@]1(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCSC1 ZINC000905544917 592557844 /nfs/dbraw/zinc/55/78/44/592557844.db2.gz CPKBCQXYRJHTKI-MSOLQXFVSA-N 2 2 336.501 1.517 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H](C)C3=CC[NH+](C)CC3)co2)C1 ZINC000907284757 592583825 /nfs/dbraw/zinc/58/38/25/592583825.db2.gz YQNMDLDJBLPTJZ-ZFWWWQNUSA-N 2 2 348.447 1.276 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H](C)C3=CC[NH+](C)CC3)co2)C1 ZINC000907284757 592583829 /nfs/dbraw/zinc/58/38/29/592583829.db2.gz YQNMDLDJBLPTJZ-ZFWWWQNUSA-N 2 2 348.447 1.276 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)co2)C1 ZINC000907284757 592583831 /nfs/dbraw/zinc/58/38/31/592583831.db2.gz YQNMDLDJBLPTJZ-ZFWWWQNUSA-N 2 2 348.447 1.276 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)co2)C1 ZINC000907284757 592583835 /nfs/dbraw/zinc/58/38/35/592583835.db2.gz YQNMDLDJBLPTJZ-ZFWWWQNUSA-N 2 2 348.447 1.276 20 0 EDADLP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905620204 592587861 /nfs/dbraw/zinc/58/78/61/592587861.db2.gz QPXZUSFMSQIWHF-UXHICEINSA-N 2 2 348.487 1.797 20 0 EDADLP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000905620204 592587864 /nfs/dbraw/zinc/58/78/64/592587864.db2.gz QPXZUSFMSQIWHF-UXHICEINSA-N 2 2 348.487 1.797 20 0 EDADLP CCn1c([C@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000908831030 592635710 /nfs/dbraw/zinc/63/57/10/592635710.db2.gz MICGUONZFYMTMQ-ZIAGYGMSSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000908831030 592635713 /nfs/dbraw/zinc/63/57/13/592635713.db2.gz MICGUONZFYMTMQ-ZIAGYGMSSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908831030 592635716 /nfs/dbraw/zinc/63/57/16/592635716.db2.gz MICGUONZFYMTMQ-ZIAGYGMSSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908831030 592635719 /nfs/dbraw/zinc/63/57/19/592635719.db2.gz MICGUONZFYMTMQ-ZIAGYGMSSA-N 2 2 336.484 1.220 20 0 EDADLP C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H](O)C[NH+]1CCCC1 ZINC000909021371 592715004 /nfs/dbraw/zinc/71/50/04/592715004.db2.gz SNUKJKCWYLTMFB-SFHVURJKSA-N 2 2 333.476 1.412 20 0 EDADLP C[N@H+](Cc1ccccc1N1CCOCC1)C[C@H](O)C[NH+]1CCCC1 ZINC000909021371 592715007 /nfs/dbraw/zinc/71/50/07/592715007.db2.gz SNUKJKCWYLTMFB-SFHVURJKSA-N 2 2 333.476 1.412 20 0 EDADLP CCCC[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000906527843 592841707 /nfs/dbraw/zinc/84/17/07/592841707.db2.gz OKUFANJDQJAXJY-HNNXBMFYSA-N 2 2 333.480 1.223 20 0 EDADLP C[C@@H](C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000910780746 592893802 /nfs/dbraw/zinc/89/38/02/592893802.db2.gz LGPTYMCJLWLDIP-INIZCTEOSA-N 2 2 345.512 1.911 20 0 EDADLP C[C@@H](C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000910780746 592893803 /nfs/dbraw/zinc/89/38/03/592893803.db2.gz LGPTYMCJLWLDIP-INIZCTEOSA-N 2 2 345.512 1.911 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2c2c[nH+]cn2C)CC1 ZINC000910838077 592895477 /nfs/dbraw/zinc/89/54/77/592895477.db2.gz VAFZHSNTKKFWRA-HNNXBMFYSA-N 2 2 347.463 1.026 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911485478 592928527 /nfs/dbraw/zinc/92/85/27/592928527.db2.gz MSIOOMVQGOJAEK-QLFBSQMISA-N 2 2 347.463 1.200 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911530093 592935202 /nfs/dbraw/zinc/93/52/02/592935202.db2.gz WWGPCYFERHUSOG-KGLIPLIRSA-N 2 2 347.463 1.071 20 0 EDADLP CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2C1 ZINC000911877648 593029464 /nfs/dbraw/zinc/02/94/64/593029464.db2.gz AVWSSALKASTKOQ-JSGCOSHPSA-N 2 2 332.448 1.017 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[NH2+]CCN1C)c1ccc(Cl)cc1 ZINC000912135993 593064966 /nfs/dbraw/zinc/06/49/66/593064966.db2.gz OUFHXZHLBJWTIP-HUUCEWRRSA-N 2 2 347.850 1.183 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000912270953 593081088 /nfs/dbraw/zinc/08/10/88/593081088.db2.gz YMQAUVNGUYNUHU-UHFFFAOYSA-N 2 2 340.143 1.955 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000912284390 593082535 /nfs/dbraw/zinc/08/25/35/593082535.db2.gz REZYRBBQOGQQJU-CABCVRRESA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000912284390 593082536 /nfs/dbraw/zinc/08/25/36/593082536.db2.gz REZYRBBQOGQQJU-CABCVRRESA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000912284390 593082537 /nfs/dbraw/zinc/08/25/37/593082537.db2.gz REZYRBBQOGQQJU-CABCVRRESA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000912284390 593082538 /nfs/dbraw/zinc/08/25/38/593082538.db2.gz REZYRBBQOGQQJU-CABCVRRESA-N 2 2 339.480 1.251 20 0 EDADLP COc1cccc2[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000912387467 593090462 /nfs/dbraw/zinc/09/04/62/593090462.db2.gz PYYZZXBBVDIYKT-UHFFFAOYSA-N 2 2 332.448 1.790 20 0 EDADLP COc1cccc2[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000912387467 593090463 /nfs/dbraw/zinc/09/04/63/593090463.db2.gz PYYZZXBBVDIYKT-UHFFFAOYSA-N 2 2 332.448 1.790 20 0 EDADLP CN(C(=O)COCc1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807071798 593141790 /nfs/dbraw/zinc/14/17/90/593141790.db2.gz SJFHKONMTORZQW-GOSISDBHSA-N 2 2 346.475 1.225 20 0 EDADLP CN(C(=O)COCc1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807071798 593141791 /nfs/dbraw/zinc/14/17/91/593141791.db2.gz SJFHKONMTORZQW-GOSISDBHSA-N 2 2 346.475 1.225 20 0 EDADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000840086185 593154718 /nfs/dbraw/zinc/15/47/18/593154718.db2.gz KYDGSLMSENPFNY-ZWKOTPCHSA-N 2 2 337.464 1.163 20 0 EDADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000840086185 593154721 /nfs/dbraw/zinc/15/47/21/593154721.db2.gz KYDGSLMSENPFNY-ZWKOTPCHSA-N 2 2 337.464 1.163 20 0 EDADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000840086185 593154724 /nfs/dbraw/zinc/15/47/24/593154724.db2.gz KYDGSLMSENPFNY-ZWKOTPCHSA-N 2 2 337.464 1.163 20 0 EDADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000840086185 593154725 /nfs/dbraw/zinc/15/47/25/593154725.db2.gz KYDGSLMSENPFNY-ZWKOTPCHSA-N 2 2 337.464 1.163 20 0 EDADLP Cn1nc(Br)cc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000809743456 593357466 /nfs/dbraw/zinc/35/74/66/593357466.db2.gz RRYQULRNKZELST-UHFFFAOYSA-N 2 2 344.301 1.252 20 0 EDADLP Cn1nc(Br)cc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000809743456 593357468 /nfs/dbraw/zinc/35/74/68/593357468.db2.gz RRYQULRNKZELST-UHFFFAOYSA-N 2 2 344.301 1.252 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ncc(C2OCCO2)s1 ZINC000809743231 593357582 /nfs/dbraw/zinc/35/75/82/593357582.db2.gz NLGKUPWIGWZUFV-UHFFFAOYSA-N 2 2 340.493 1.258 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ncc(C2OCCO2)s1 ZINC000809743231 593357583 /nfs/dbraw/zinc/35/75/83/593357583.db2.gz NLGKUPWIGWZUFV-UHFFFAOYSA-N 2 2 340.493 1.258 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000758239186 593398423 /nfs/dbraw/zinc/39/84/23/593398423.db2.gz CPHAZHPFUVQWGC-YVEFUNNKSA-N 2 2 331.420 1.278 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000758239186 593398426 /nfs/dbraw/zinc/39/84/26/593398426.db2.gz CPHAZHPFUVQWGC-YVEFUNNKSA-N 2 2 331.420 1.278 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=S)NCCC[NH+](C)C ZINC000761506780 593417022 /nfs/dbraw/zinc/41/70/22/593417022.db2.gz IYANETLZBQZXNC-UHFFFAOYSA-N 2 2 325.526 1.984 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)[C@]12CCCO2 ZINC000840059419 593438744 /nfs/dbraw/zinc/43/87/44/593438744.db2.gz JZHJNHJRGIXIML-AOIWGVFYSA-N 2 2 345.443 1.908 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)[C@]12CCCO2 ZINC000840059419 593438745 /nfs/dbraw/zinc/43/87/45/593438745.db2.gz JZHJNHJRGIXIML-AOIWGVFYSA-N 2 2 345.443 1.908 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000806664881 593462865 /nfs/dbraw/zinc/46/28/65/593462865.db2.gz BMMKJTNQJLEZKH-JFIYKMOQSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000806664881 593462866 /nfs/dbraw/zinc/46/28/66/593462866.db2.gz BMMKJTNQJLEZKH-JFIYKMOQSA-N 2 2 348.491 1.698 20 0 EDADLP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000813324545 593526326 /nfs/dbraw/zinc/52/63/26/593526326.db2.gz OFIXFMGEIVNIAN-FXAWDEMLSA-N 2 2 344.503 1.403 20 0 EDADLP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000813324545 593526327 /nfs/dbraw/zinc/52/63/27/593526327.db2.gz OFIXFMGEIVNIAN-FXAWDEMLSA-N 2 2 344.503 1.403 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)C1 ZINC000816765225 593549821 /nfs/dbraw/zinc/54/98/21/593549821.db2.gz XAAMVFAOFVVYCM-INIZCTEOSA-N 2 2 344.415 1.693 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)C1 ZINC000816765225 593549822 /nfs/dbraw/zinc/54/98/22/593549822.db2.gz XAAMVFAOFVVYCM-INIZCTEOSA-N 2 2 344.415 1.693 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000816966590 593565160 /nfs/dbraw/zinc/56/51/60/593565160.db2.gz CCAOPSTXNOKZIQ-MRXNPFEDSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000816966590 593565161 /nfs/dbraw/zinc/56/51/61/593565161.db2.gz CCAOPSTXNOKZIQ-MRXNPFEDSA-N 2 2 328.416 1.225 20 0 EDADLP CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CCC[N@@H+]1C ZINC000817292538 593589929 /nfs/dbraw/zinc/58/99/29/593589929.db2.gz MCQLVAAKGYPCOE-MRXNPFEDSA-N 2 2 340.512 1.565 20 0 EDADLP CN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CCC[N@H+]1C ZINC000817292538 593589930 /nfs/dbraw/zinc/58/99/30/593589930.db2.gz MCQLVAAKGYPCOE-MRXNPFEDSA-N 2 2 340.512 1.565 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000817532261 593610427 /nfs/dbraw/zinc/61/04/27/593610427.db2.gz CNPKXYGFKSFQEI-LPHOPBHVSA-N 2 2 331.460 1.179 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000817532261 593610428 /nfs/dbraw/zinc/61/04/28/593610428.db2.gz CNPKXYGFKSFQEI-LPHOPBHVSA-N 2 2 331.460 1.179 20 0 EDADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000815593911 593643704 /nfs/dbraw/zinc/64/37/04/593643704.db2.gz AVLNRXPBHSLLPI-RDJZCZTQSA-N 2 2 349.450 1.718 20 0 EDADLP COc1ccccc1[C@H](N[C@@H](C)C[C@@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000817901742 593647141 /nfs/dbraw/zinc/64/71/41/593647141.db2.gz XXVVFJGGFVLLMH-DAYGRLMNSA-N 2 2 344.459 1.875 20 0 EDADLP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cc(F)cc(Cl)c1 ZINC000817926840 593649156 /nfs/dbraw/zinc/64/91/56/593649156.db2.gz AUHLFIFPTFUSQY-OWCLPIDISA-N 2 2 328.815 1.869 20 0 EDADLP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2O1 ZINC000818187420 593679910 /nfs/dbraw/zinc/67/99/10/593679910.db2.gz XYDIDIUDWZRJPD-CHWSQXEVSA-N 2 2 326.343 1.961 20 0 EDADLP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2O1 ZINC000818187420 593679911 /nfs/dbraw/zinc/67/99/11/593679911.db2.gz XYDIDIUDWZRJPD-CHWSQXEVSA-N 2 2 326.343 1.961 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1 ZINC000819088397 593738367 /nfs/dbraw/zinc/73/83/67/593738367.db2.gz CDMARSDMKQRNMO-WMLDXEAASA-N 2 2 338.448 1.295 20 0 EDADLP CC1CC[NH+](c2ccc(NC[C@@H](O)C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000819395523 593753319 /nfs/dbraw/zinc/75/33/19/593753319.db2.gz OVKKLXWNIBNXBY-HXUWFJFHSA-N 2 2 346.519 1.943 20 0 EDADLP CC1CC[NH+](c2ccc(NC[C@@H](O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000819395523 593753320 /nfs/dbraw/zinc/75/33/20/593753320.db2.gz OVKKLXWNIBNXBY-HXUWFJFHSA-N 2 2 346.519 1.943 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccc(Cl)cc2-c2nn[nH]n2)CC1 ZINC000821582912 593868732 /nfs/dbraw/zinc/86/87/32/593868732.db2.gz BUSZEGVXQSLNDB-UHFFFAOYSA-N 2 2 349.870 1.958 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3[nH+]c4c(cc3-c3nn[nH]n3)CCC4)CC[C@@H]21 ZINC000821625985 593886913 /nfs/dbraw/zinc/88/69/13/593886913.db2.gz ZYZUDGFGRDPBGP-CJNGLKHVSA-N 2 2 339.447 1.671 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3[nH+]c4c(cc3-c3nn[nH]n3)CCC4)CC[C@@H]21 ZINC000821625985 593886915 /nfs/dbraw/zinc/88/69/15/593886915.db2.gz ZYZUDGFGRDPBGP-CJNGLKHVSA-N 2 2 339.447 1.671 20 0 EDADLP Cc1cc(F)cc2c1[nH+]cc(-c1nn[nH]n1)c2N(C)CC[NH+](C)C ZINC000822203102 594009098 /nfs/dbraw/zinc/00/90/98/594009098.db2.gz DZRNUACSEMLZPG-UHFFFAOYSA-N 2 2 329.383 1.860 20 0 EDADLP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000824584240 594042485 /nfs/dbraw/zinc/04/24/85/594042485.db2.gz YGHJLKZCPZIKDY-MRXNPFEDSA-N 2 2 338.448 1.614 20 0 EDADLP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000824584240 594042486 /nfs/dbraw/zinc/04/24/86/594042486.db2.gz YGHJLKZCPZIKDY-MRXNPFEDSA-N 2 2 338.448 1.614 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824976107 594108992 /nfs/dbraw/zinc/10/89/92/594108992.db2.gz MZDJUZKTBWSISH-BLLLJJGKSA-N 2 2 328.420 1.318 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824976107 594108993 /nfs/dbraw/zinc/10/89/93/594108993.db2.gz MZDJUZKTBWSISH-BLLLJJGKSA-N 2 2 328.420 1.318 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000825168894 594141133 /nfs/dbraw/zinc/14/11/33/594141133.db2.gz DITNVHXTMKLGCN-KRWDZBQOSA-N 2 2 331.460 1.579 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(Cl)nc2N)CC1 ZINC000829675130 594238268 /nfs/dbraw/zinc/23/82/68/594238268.db2.gz XSIHVOJSQYBXDO-UHFFFAOYSA-N 2 2 325.844 1.073 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[C@@H]([NH3+])C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000826040370 594313516 /nfs/dbraw/zinc/31/35/16/594313516.db2.gz SPVARCFCDUXELA-OAHLLOKOSA-N 2 2 331.464 1.684 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000830549414 594419824 /nfs/dbraw/zinc/41/98/24/594419824.db2.gz OHPZFSXTOFKOKZ-KRWDZBQOSA-N 2 2 334.464 1.201 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000830549414 594419826 /nfs/dbraw/zinc/41/98/26/594419826.db2.gz OHPZFSXTOFKOKZ-KRWDZBQOSA-N 2 2 334.464 1.201 20 0 EDADLP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830625476 594442405 /nfs/dbraw/zinc/44/24/05/594442405.db2.gz FNQLRQSGKISNHP-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CCCCC[C@H](C)NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830625476 594442408 /nfs/dbraw/zinc/44/24/08/594442408.db2.gz FNQLRQSGKISNHP-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)c1cc(F)ccc1F)CCO2 ZINC000830636595 594444546 /nfs/dbraw/zinc/44/45/46/594444546.db2.gz DNIZBBFKGYJYON-MRXNPFEDSA-N 2 2 326.387 1.795 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)c1cc(F)ccc1F)CCO2 ZINC000830636595 594444547 /nfs/dbraw/zinc/44/45/47/594444547.db2.gz DNIZBBFKGYJYON-MRXNPFEDSA-N 2 2 326.387 1.795 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826364041 594446438 /nfs/dbraw/zinc/44/64/38/594446438.db2.gz JAEQGPUUJXYVCD-AWEZNQCLSA-N 2 2 339.403 1.469 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000826364041 594446439 /nfs/dbraw/zinc/44/64/39/594446439.db2.gz JAEQGPUUJXYVCD-AWEZNQCLSA-N 2 2 339.403 1.469 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC000826565752 594528311 /nfs/dbraw/zinc/52/83/11/594528311.db2.gz YDMHISCAWNGEFB-GOSISDBHSA-N 2 2 333.476 1.652 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC000826565752 594528312 /nfs/dbraw/zinc/52/83/12/594528312.db2.gz YDMHISCAWNGEFB-GOSISDBHSA-N 2 2 333.476 1.652 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C2)c1 ZINC000826565752 594528313 /nfs/dbraw/zinc/52/83/13/594528313.db2.gz YDMHISCAWNGEFB-GOSISDBHSA-N 2 2 333.476 1.652 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C2)c1 ZINC000826565752 594528314 /nfs/dbraw/zinc/52/83/14/594528314.db2.gz YDMHISCAWNGEFB-GOSISDBHSA-N 2 2 333.476 1.652 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NCCCCCC[NH3+])c[nH+]2)CCO1 ZINC000831099484 594556375 /nfs/dbraw/zinc/55/63/75/594556375.db2.gz IXFSCLGOYLCZRL-HNNXBMFYSA-N 2 2 349.479 1.625 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)/C=C/c2cn(C)c[nH+]2)cc1 ZINC000827167804 594650213 /nfs/dbraw/zinc/65/02/13/594650213.db2.gz SUPKDWWZWGUDLT-ZGRWHYIRSA-N 2 2 340.427 1.833 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)/C=C/c2cn(C)c[nH+]2)cc1 ZINC000827167804 594650214 /nfs/dbraw/zinc/65/02/14/594650214.db2.gz SUPKDWWZWGUDLT-ZGRWHYIRSA-N 2 2 340.427 1.833 20 0 EDADLP CN(C(=O)c1nccc2[nH]ccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827346374 594663248 /nfs/dbraw/zinc/66/32/48/594663248.db2.gz HHXVBPDEYIPMLR-HNNXBMFYSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1nccc2[nH]ccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827346374 594663249 /nfs/dbraw/zinc/66/32/49/594663249.db2.gz HHXVBPDEYIPMLR-HNNXBMFYSA-N 2 2 341.459 1.803 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C\COc3ccccc3)C2)CC1 ZINC000827414464 594669702 /nfs/dbraw/zinc/66/97/02/594669702.db2.gz VRTWMKXNDULUJQ-CTEOGUNLSA-N 2 2 343.471 1.906 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C\COc3ccccc3)C2)CC1 ZINC000827414464 594669703 /nfs/dbraw/zinc/66/97/03/594669703.db2.gz VRTWMKXNDULUJQ-CTEOGUNLSA-N 2 2 343.471 1.906 20 0 EDADLP CN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000833141744 594800980 /nfs/dbraw/zinc/80/09/80/594800980.db2.gz GASIAWWXDONAKS-GRDNDAEWSA-N 2 2 327.444 1.130 20 0 EDADLP CN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000833141744 594800981 /nfs/dbraw/zinc/80/09/81/594800981.db2.gz GASIAWWXDONAKS-GRDNDAEWSA-N 2 2 327.444 1.130 20 0 EDADLP CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000833141744 594800982 /nfs/dbraw/zinc/80/09/82/594800982.db2.gz GASIAWWXDONAKS-GRDNDAEWSA-N 2 2 327.444 1.130 20 0 EDADLP O=C(NCc1[nH]cc[nH+]1)Nc1ccc(C(=O)OC[C@H]2CCC[NH2+]2)cc1 ZINC000841282886 594880821 /nfs/dbraw/zinc/88/08/21/594880821.db2.gz ZASRISRTVYYTDB-CQSZACIVSA-N 2 2 343.387 1.640 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000835895839 594888712 /nfs/dbraw/zinc/88/87/12/594888712.db2.gz CNEVHYZYONSKHL-CQSZACIVSA-N 2 2 347.463 1.337 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000835895839 594888714 /nfs/dbraw/zinc/88/87/14/594888714.db2.gz CNEVHYZYONSKHL-CQSZACIVSA-N 2 2 347.463 1.337 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)C[C@@H]21 ZINC000836211554 594939167 /nfs/dbraw/zinc/93/91/67/594939167.db2.gz SDHZJDYKHGIYAM-CABCVRRESA-N 2 2 326.404 1.113 20 0 EDADLP [NH3+]CCc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000841864547 594967923 /nfs/dbraw/zinc/96/79/23/594967923.db2.gz OSKPYKVINKPDOR-KRWDZBQOSA-N 2 2 339.443 1.661 20 0 EDADLP Cc1cc2[nH+]cn(CCc3noc([C@@H]4C[NH2+]CCO4)n3)c2cc1C ZINC000843240103 595047329 /nfs/dbraw/zinc/04/73/29/595047329.db2.gz DXNMSUSRRQJBTH-HNNXBMFYSA-N 2 2 327.388 1.940 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843258559 595054549 /nfs/dbraw/zinc/05/45/49/595054549.db2.gz BMWDQMHXSIZNOC-UHFFFAOYSA-N 2 2 345.447 1.096 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000843349034 595082885 /nfs/dbraw/zinc/08/28/85/595082885.db2.gz DLAADHBKSIZSDE-JKSUJKDBSA-N 2 2 346.475 1.392 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000843349034 595082887 /nfs/dbraw/zinc/08/28/87/595082887.db2.gz DLAADHBKSIZSDE-JKSUJKDBSA-N 2 2 346.475 1.392 20 0 EDADLP CC(C)C[C@@H]1NC(=O)N(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000121544185 595145015 /nfs/dbraw/zinc/14/50/15/595145015.db2.gz VHDPCDBAGOUJHL-ILXRZTDVSA-N 2 2 333.436 1.690 20 0 EDADLP CC(C)C[C@@H]1NC(=O)N(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000121544185 595145016 /nfs/dbraw/zinc/14/50/16/595145016.db2.gz VHDPCDBAGOUJHL-ILXRZTDVSA-N 2 2 333.436 1.690 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1cccnc1-n1cc[nH+]c1)C2 ZINC000846138874 595154731 /nfs/dbraw/zinc/15/47/31/595154731.db2.gz VQWFBHVDDFTNLJ-YJBOKZPZSA-N 2 2 340.431 1.538 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000837716475 595176940 /nfs/dbraw/zinc/17/69/40/595176940.db2.gz NXZYKWDXXPFIRA-RMKNXTFCSA-N 2 2 342.443 1.733 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000844022044 595246287 /nfs/dbraw/zinc/24/62/87/595246287.db2.gz GCXSNAYQYFOAMI-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000844022044 595246290 /nfs/dbraw/zinc/24/62/90/595246290.db2.gz GCXSNAYQYFOAMI-GASCZTMLSA-N 2 2 343.431 1.449 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1Br)C1CC1 ZINC000843093269 595285857 /nfs/dbraw/zinc/28/58/57/595285857.db2.gz GBENFONXHFOYAO-DOMZBBRYSA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1Br)C1CC1 ZINC000843093269 595285858 /nfs/dbraw/zinc/28/58/58/595285858.db2.gz GBENFONXHFOYAO-DOMZBBRYSA-N 2 2 343.265 1.527 20 0 EDADLP COc1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])ccc1OC(=O)C1CC1 ZINC000843120330 595291739 /nfs/dbraw/zinc/29/17/39/595291739.db2.gz FMGMQNKYRGKZLN-OAHLLOKOSA-N 2 2 333.432 1.085 20 0 EDADLP COc1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1OC(=O)C1CC1 ZINC000843120330 595291741 /nfs/dbraw/zinc/29/17/41/595291741.db2.gz FMGMQNKYRGKZLN-OAHLLOKOSA-N 2 2 333.432 1.085 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000846671449 595297763 /nfs/dbraw/zinc/29/77/63/595297763.db2.gz SWYKTKSHMZWAFH-QWHCGFSZSA-N 2 2 334.247 1.422 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844192176 595298564 /nfs/dbraw/zinc/29/85/64/595298564.db2.gz UVSMGDPZIKDLTN-DOTOQJQBSA-N 2 2 332.448 1.055 20 0 EDADLP c1cn(-c2cc(-c3noc(C[C@H]4CSCC[NH2+]4)n3)ccn2)c[nH+]1 ZINC000843186335 595301458 /nfs/dbraw/zinc/30/14/58/595301458.db2.gz PCGAKCNGIHSULO-LBPRGKRZSA-N 2 2 328.401 1.565 20 0 EDADLP O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846877301 595330863 /nfs/dbraw/zinc/33/08/63/595330863.db2.gz FXFPVJPGVZAPOK-CQSZACIVSA-N 2 2 336.823 1.625 20 0 EDADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)C1 ZINC000846911832 595336388 /nfs/dbraw/zinc/33/63/88/595336388.db2.gz KDEQQNRNCWYFAP-CZUORRHYSA-N 2 2 338.448 1.407 20 0 EDADLP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)C1 ZINC000846911832 595336390 /nfs/dbraw/zinc/33/63/90/595336390.db2.gz KDEQQNRNCWYFAP-CZUORRHYSA-N 2 2 338.448 1.407 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C[C@@H](C(=O)OC(C)(C)C)CC2=O)C1 ZINC000844698847 595377008 /nfs/dbraw/zinc/37/70/08/595377008.db2.gz QNKJCLFRIPVFBN-KGLIPLIRSA-N 2 2 348.447 1.357 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C[C@@H](C(=O)OC(C)(C)C)CC2=O)C1 ZINC000844698847 595377010 /nfs/dbraw/zinc/37/70/10/595377010.db2.gz QNKJCLFRIPVFBN-KGLIPLIRSA-N 2 2 348.447 1.357 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000848520853 595402153 /nfs/dbraw/zinc/40/21/53/595402153.db2.gz LHRVINONMPULMC-GOSISDBHSA-N 3 2 341.459 1.919 20 0 EDADLP C/C(=C/c1cccnc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485526 595431446 /nfs/dbraw/zinc/43/14/46/595431446.db2.gz FWJBDJWBRDXIIR-MLRPBERTSA-N 2 2 328.460 1.770 20 0 EDADLP C/C(=C/c1cccnc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485526 595431449 /nfs/dbraw/zinc/43/14/49/595431449.db2.gz FWJBDJWBRDXIIR-MLRPBERTSA-N 2 2 328.460 1.770 20 0 EDADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C[NH+]1CCCC1 ZINC000852777034 595539151 /nfs/dbraw/zinc/53/91/51/595539151.db2.gz GMPIOXMCBLKMSO-XHSDSOJGSA-N 2 2 339.480 1.527 20 0 EDADLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C[NH+]1CCCC1 ZINC000852777034 595539152 /nfs/dbraw/zinc/53/91/52/595539152.db2.gz GMPIOXMCBLKMSO-XHSDSOJGSA-N 2 2 339.480 1.527 20 0 EDADLP C[C@@H](c1cccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)c1)[NH+]1CCOCC1 ZINC000852867252 595587098 /nfs/dbraw/zinc/58/70/98/595587098.db2.gz SGZAMYMIICZJAV-SWLSCSKDSA-N 2 2 332.404 1.122 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cc(-c2ccccc2)on1 ZINC000855414566 595704260 /nfs/dbraw/zinc/70/42/60/595704260.db2.gz HKJUQILRLDVWBS-UHFFFAOYSA-N 2 2 344.459 1.884 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cc(-c2ccccc2)on1 ZINC000855414566 595704264 /nfs/dbraw/zinc/70/42/64/595704264.db2.gz HKJUQILRLDVWBS-UHFFFAOYSA-N 2 2 344.459 1.884 20 0 EDADLP CS(=O)(=O)CC[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000853308453 595732552 /nfs/dbraw/zinc/73/25/52/595732552.db2.gz JMEWJAMGHGOJES-UHFFFAOYSA-N 2 2 348.472 1.738 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)[C@@H]3CCCO3)CC2)cc1 ZINC000858226967 595736086 /nfs/dbraw/zinc/73/60/86/595736086.db2.gz RPUTWWSJGVUREM-OALUTQOASA-N 2 2 333.476 1.851 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000858298142 595757195 /nfs/dbraw/zinc/75/71/95/595757195.db2.gz NKVSIGYGJMRJOI-QLFBSQMISA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000858298142 595757198 /nfs/dbraw/zinc/75/71/98/595757198.db2.gz NKVSIGYGJMRJOI-QLFBSQMISA-N 2 2 327.469 1.479 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(c3ccco3)CC1)C2=O ZINC000853526872 595786522 /nfs/dbraw/zinc/78/65/22/595786522.db2.gz AWMYQSQSMUKWAF-UHFFFAOYSA-N 2 2 346.431 1.433 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)C1 ZINC000853569918 595808763 /nfs/dbraw/zinc/80/87/63/595808763.db2.gz CAHKPQSDDPEJNG-LZLYRXPVSA-N 2 2 346.475 1.975 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)C1 ZINC000853569918 595808767 /nfs/dbraw/zinc/80/87/67/595808767.db2.gz CAHKPQSDDPEJNG-LZLYRXPVSA-N 2 2 346.475 1.975 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741741 595903568 /nfs/dbraw/zinc/90/35/68/595903568.db2.gz IHURTXXZVJNIBF-JKSUJKDBSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741741 595903571 /nfs/dbraw/zinc/90/35/71/595903571.db2.gz IHURTXXZVJNIBF-JKSUJKDBSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741741 595903574 /nfs/dbraw/zinc/90/35/74/595903574.db2.gz IHURTXXZVJNIBF-JKSUJKDBSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741741 595903576 /nfs/dbraw/zinc/90/35/76/595903576.db2.gz IHURTXXZVJNIBF-JKSUJKDBSA-N 2 2 343.512 1.924 20 0 EDADLP COc1ccc([C@@H]2C[C@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000854033812 595958472 /nfs/dbraw/zinc/95/84/72/595958472.db2.gz WXDCJQGXIDXVRB-ZWKOTPCHSA-N 2 2 348.491 1.734 20 0 EDADLP COc1ccc([C@@H]2C[C@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000854033812 595958474 /nfs/dbraw/zinc/95/84/74/595958474.db2.gz WXDCJQGXIDXVRB-ZWKOTPCHSA-N 2 2 348.491 1.734 20 0 EDADLP C[N@@H+]1CCCC12CC[NH+](CCn1cnc(Br)n1)CC2 ZINC000851891021 595964999 /nfs/dbraw/zinc/96/49/99/595964999.db2.gz ZUECAWWJKBLCAR-UHFFFAOYSA-N 2 2 328.258 1.601 20 0 EDADLP C[N@H+]1CCCC12CC[NH+](CCn1cnc(Br)n1)CC2 ZINC000851891021 595965002 /nfs/dbraw/zinc/96/50/02/595965002.db2.gz ZUECAWWJKBLCAR-UHFFFAOYSA-N 2 2 328.258 1.601 20 0 EDADLP COC(=O)c1nc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)ccc1Cl ZINC000854221142 596006286 /nfs/dbraw/zinc/00/62/86/596006286.db2.gz HCDDZPCULRLZHY-ZYHUDNBSSA-N 2 2 327.812 1.378 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncnn3C)C2)ccn1 ZINC000856599666 596029525 /nfs/dbraw/zinc/02/95/25/596029525.db2.gz MVIPSPYPGDJCPN-QGZVFWFLSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncnn3C)C2)ccn1 ZINC000856599666 596029529 /nfs/dbraw/zinc/02/95/29/596029529.db2.gz MVIPSPYPGDJCPN-QGZVFWFLSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ncnn3C)C2)ccn1 ZINC000856599666 596029533 /nfs/dbraw/zinc/02/95/33/596029533.db2.gz MVIPSPYPGDJCPN-QGZVFWFLSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ncnn3C)C2)ccn1 ZINC000856599666 596029537 /nfs/dbraw/zinc/02/95/37/596029537.db2.gz MVIPSPYPGDJCPN-QGZVFWFLSA-N 2 2 344.463 1.704 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccnc(F)c1F ZINC000856914793 596110544 /nfs/dbraw/zinc/11/05/44/596110544.db2.gz BGXBQGLMTBBGOB-UHFFFAOYSA-N 2 2 341.406 1.850 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccnc(F)c1F ZINC000856914793 596110546 /nfs/dbraw/zinc/11/05/46/596110546.db2.gz BGXBQGLMTBBGOB-UHFFFAOYSA-N 2 2 341.406 1.850 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000854736228 596181679 /nfs/dbraw/zinc/18/16/79/596181679.db2.gz CKPADEWNAUKADH-SFHVURJKSA-N 2 2 325.416 1.825 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000854736228 596181680 /nfs/dbraw/zinc/18/16/80/596181680.db2.gz CKPADEWNAUKADH-SFHVURJKSA-N 2 2 325.416 1.825 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)nc2)CC12CCOCC2 ZINC000852748819 596237887 /nfs/dbraw/zinc/23/78/87/596237887.db2.gz FAPSPEADAVBCGM-GFCCVEGCSA-N 2 2 338.839 1.361 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)nc2)CC12CCOCC2 ZINC000852748819 596237888 /nfs/dbraw/zinc/23/78/88/596237888.db2.gz FAPSPEADAVBCGM-GFCCVEGCSA-N 2 2 338.839 1.361 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864887620 596405296 /nfs/dbraw/zinc/40/52/96/596405296.db2.gz MZOSXZGWVBDWQL-CQSZACIVSA-N 2 2 333.423 1.192 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000864887620 596405299 /nfs/dbraw/zinc/40/52/99/596405299.db2.gz MZOSXZGWVBDWQL-CQSZACIVSA-N 2 2 333.423 1.192 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000870959165 596418474 /nfs/dbraw/zinc/41/84/74/596418474.db2.gz WDIDGRFKNYJSLG-UHFFFAOYSA-N 2 2 342.447 1.903 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2)cc1 ZINC000870979506 596427031 /nfs/dbraw/zinc/42/70/31/596427031.db2.gz MYMOYSLLKDFPMS-FHWLQOOXSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2)cc1 ZINC000870979506 596427035 /nfs/dbraw/zinc/42/70/35/596427035.db2.gz MYMOYSLLKDFPMS-FHWLQOOXSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000870980223 596427903 /nfs/dbraw/zinc/42/79/03/596427903.db2.gz ZSZNCEQMOLNFSF-QZTJIDSGSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000870980223 596427906 /nfs/dbraw/zinc/42/79/06/596427906.db2.gz ZSZNCEQMOLNFSF-QZTJIDSGSA-N 2 2 331.460 1.439 20 0 EDADLP O=C([C@H]1CCC[NH+](CC(F)F)C1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000869299139 596478925 /nfs/dbraw/zinc/47/89/25/596478925.db2.gz LKONVCUYFHCHLQ-ZFWWWQNUSA-N 2 2 345.434 1.021 20 0 EDADLP O=C([C@H]1CCC[NH+](CC(F)F)C1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000869299139 596478929 /nfs/dbraw/zinc/47/89/29/596478929.db2.gz LKONVCUYFHCHLQ-ZFWWWQNUSA-N 2 2 345.434 1.021 20 0 EDADLP O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000869299139 596478933 /nfs/dbraw/zinc/47/89/33/596478933.db2.gz LKONVCUYFHCHLQ-ZFWWWQNUSA-N 2 2 345.434 1.021 20 0 EDADLP O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000869299139 596478934 /nfs/dbraw/zinc/47/89/34/596478934.db2.gz LKONVCUYFHCHLQ-ZFWWWQNUSA-N 2 2 345.434 1.021 20 0 EDADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000865178493 596502253 /nfs/dbraw/zinc/50/22/53/596502253.db2.gz WKLGUOIQOHTPIF-HUUCEWRRSA-N 2 2 347.450 1.533 20 0 EDADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865178493 596502255 /nfs/dbraw/zinc/50/22/55/596502255.db2.gz WKLGUOIQOHTPIF-HUUCEWRRSA-N 2 2 347.450 1.533 20 0 EDADLP CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]CCC[NH+]1CCOCC1)C2 ZINC000865399726 596562280 /nfs/dbraw/zinc/56/22/80/596562280.db2.gz UJTNVMSEXIGGQB-UHFFFAOYSA-N 2 2 339.480 1.698 20 0 EDADLP Nc1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc(C2CCCC2)[nH+]1 ZINC000865560895 596611318 /nfs/dbraw/zinc/61/13/18/596611318.db2.gz FXQZNCUEMJUDBC-CYBMUJFWSA-N 2 2 332.452 1.270 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000863550278 596615118 /nfs/dbraw/zinc/61/51/18/596615118.db2.gz SKHPQDVGIQVWDT-KGLIPLIRSA-N 2 2 336.823 1.492 20 0 EDADLP CC[NH+](CC)CC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871541722 596620871 /nfs/dbraw/zinc/62/08/71/596620871.db2.gz HTJYAGWDEAGCJZ-UHFFFAOYSA-N 2 2 327.469 1.251 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000865659242 596641020 /nfs/dbraw/zinc/64/10/20/596641020.db2.gz JFZUGCPVGOTCCG-INIZCTEOSA-N 2 2 341.496 1.678 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000865659242 596641023 /nfs/dbraw/zinc/64/10/23/596641023.db2.gz JFZUGCPVGOTCCG-INIZCTEOSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000865696445 596652511 /nfs/dbraw/zinc/65/25/11/596652511.db2.gz DIYJLDYYGTTYPD-RCMYXZNBSA-N 2 2 331.460 1.512 20 0 EDADLP C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000865696445 596652514 /nfs/dbraw/zinc/65/25/14/596652514.db2.gz DIYJLDYYGTTYPD-RCMYXZNBSA-N 2 2 331.460 1.512 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000868102432 596686527 /nfs/dbraw/zinc/68/65/27/596686527.db2.gz IMFOAGBNURHKFK-SFHVURJKSA-N 2 2 346.475 1.585 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000868102432 596686530 /nfs/dbraw/zinc/68/65/30/596686530.db2.gz IMFOAGBNURHKFK-SFHVURJKSA-N 2 2 346.475 1.585 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1[nH+]cnc3[nH]c(Cl)cc31)C2 ZINC000865904994 596717058 /nfs/dbraw/zinc/71/70/58/596717058.db2.gz YEJOWGIPRNFEKN-JTQLQIEISA-N 2 2 346.822 1.500 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)CC[C@@H]21 ZINC000868219959 596731813 /nfs/dbraw/zinc/73/18/13/596731813.db2.gz ODAGHHQMZDIFJO-RYUDHWBXSA-N 2 2 345.369 1.681 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)CC[C@@H]21 ZINC000868219959 596731814 /nfs/dbraw/zinc/73/18/14/596731814.db2.gz ODAGHHQMZDIFJO-RYUDHWBXSA-N 2 2 345.369 1.681 20 0 EDADLP Cc1ccc(CNC(=O)C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000872150075 596812656 /nfs/dbraw/zinc/81/26/56/596812656.db2.gz YCGRTRZKXNENOL-KBPBESRZSA-N 2 2 329.366 1.680 20 0 EDADLP Cc1ccc(CNC(=O)C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000872150075 596812658 /nfs/dbraw/zinc/81/26/58/596812658.db2.gz YCGRTRZKXNENOL-KBPBESRZSA-N 2 2 329.366 1.680 20 0 EDADLP COC[C@]1(c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)CCCC[NH2+]1 ZINC000872175539 596820554 /nfs/dbraw/zinc/82/05/54/596820554.db2.gz MVYPYZXHLKHJOK-KRWDZBQOSA-N 2 2 340.387 1.933 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000872307921 596876482 /nfs/dbraw/zinc/87/64/82/596876482.db2.gz OUUBZQHJHNNSSF-FGTMMUONSA-N 2 2 346.475 1.306 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000872307921 596876483 /nfs/dbraw/zinc/87/64/83/596876483.db2.gz OUUBZQHJHNNSSF-FGTMMUONSA-N 2 2 346.475 1.306 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000866412449 596880084 /nfs/dbraw/zinc/88/00/84/596880084.db2.gz JBPBXONFZWTQHG-HIFRSBDPSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000866412449 596880087 /nfs/dbraw/zinc/88/00/87/596880087.db2.gz JBPBXONFZWTQHG-HIFRSBDPSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412645 596880427 /nfs/dbraw/zinc/88/04/27/596880427.db2.gz AQZRZAZGHNQUEP-HOTGVXAUSA-N 2 2 325.497 1.602 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412645 596880428 /nfs/dbraw/zinc/88/04/28/596880428.db2.gz AQZRZAZGHNQUEP-HOTGVXAUSA-N 2 2 325.497 1.602 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000874008352 596896885 /nfs/dbraw/zinc/89/68/85/596896885.db2.gz YQVLVZQOJDJTLN-UHFFFAOYSA-N 2 2 330.476 1.858 20 0 EDADLP C[C@H]1C[N@H+](CN2CCC3(CCCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000872596661 596981812 /nfs/dbraw/zinc/98/18/12/596981812.db2.gz XDWAZGNOVRHILX-ZWKOTPCHSA-N 2 2 348.535 1.694 20 0 EDADLP C[C@H]1C[N@@H+](CN2CCC3(CCCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000872596661 596981816 /nfs/dbraw/zinc/98/18/16/596981816.db2.gz XDWAZGNOVRHILX-ZWKOTPCHSA-N 2 2 348.535 1.694 20 0 EDADLP CC(C)(CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCOCC1 ZINC000874431955 597075683 /nfs/dbraw/zinc/07/56/83/597075683.db2.gz SLTXYOXKFNJKQT-KRWDZBQOSA-N 2 2 346.475 1.111 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)CC[NH+](C)C)C2)c1 ZINC000876194087 597127766 /nfs/dbraw/zinc/12/77/66/597127766.db2.gz SWOJLUZKGVCNTN-GOSISDBHSA-N 2 2 348.491 1.399 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000874700358 597144041 /nfs/dbraw/zinc/14/40/41/597144041.db2.gz JLGUHIUJJQLJGI-MRXNPFEDSA-N 2 2 328.416 1.713 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000874700358 597144044 /nfs/dbraw/zinc/14/40/44/597144044.db2.gz JLGUHIUJJQLJGI-MRXNPFEDSA-N 2 2 328.416 1.713 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000874702791 597146505 /nfs/dbraw/zinc/14/65/05/597146505.db2.gz KDQXUBYOJVSAJQ-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000874702791 597146507 /nfs/dbraw/zinc/14/65/07/597146507.db2.gz KDQXUBYOJVSAJQ-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000874702791 597146511 /nfs/dbraw/zinc/14/65/11/597146511.db2.gz KDQXUBYOJVSAJQ-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000874702791 597146514 /nfs/dbraw/zinc/14/65/14/597146514.db2.gz KDQXUBYOJVSAJQ-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000874708207 597153389 /nfs/dbraw/zinc/15/33/89/597153389.db2.gz JXASUDOQPLPVFZ-PBHICJAKSA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000874708207 597153393 /nfs/dbraw/zinc/15/33/93/597153393.db2.gz JXASUDOQPLPVFZ-PBHICJAKSA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000874708207 597153395 /nfs/dbraw/zinc/15/33/95/597153395.db2.gz JXASUDOQPLPVFZ-PBHICJAKSA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000874708207 597153396 /nfs/dbraw/zinc/15/33/96/597153396.db2.gz JXASUDOQPLPVFZ-PBHICJAKSA-N 2 2 329.460 1.426 20 0 EDADLP COc1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC000873227939 597234022 /nfs/dbraw/zinc/23/40/22/597234022.db2.gz PGHIATIEAHTXFV-QWRGUYRKSA-N 2 2 332.322 1.993 20 0 EDADLP COc1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC000873227939 597234023 /nfs/dbraw/zinc/23/40/23/597234023.db2.gz PGHIATIEAHTXFV-QWRGUYRKSA-N 2 2 332.322 1.993 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000875093632 597278681 /nfs/dbraw/zinc/27/86/81/597278681.db2.gz DKXOAJGGPVWLQO-AWEZNQCLSA-N 2 2 335.452 1.028 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000875093632 597278682 /nfs/dbraw/zinc/27/86/82/597278682.db2.gz DKXOAJGGPVWLQO-AWEZNQCLSA-N 2 2 335.452 1.028 20 0 EDADLP [NH3+]C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1(F)F ZINC000876737419 597314022 /nfs/dbraw/zinc/31/40/22/597314022.db2.gz UDRIBFOQJTWSLN-ZIAGYGMSSA-N 2 2 325.359 1.297 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C\[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876742776 597317492 /nfs/dbraw/zinc/31/74/92/597317492.db2.gz TUFWKZPLOXQVTM-AWFCHZOYSA-N 3 2 334.508 1.217 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000877248862 597478977 /nfs/dbraw/zinc/47/89/77/597478977.db2.gz QMAKXXXHYXMMIY-MSOLQXFVSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000877248862 597478978 /nfs/dbraw/zinc/47/89/78/597478978.db2.gz QMAKXXXHYXMMIY-MSOLQXFVSA-N 2 2 331.460 1.454 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C(F)(F)F ZINC000877693531 597548138 /nfs/dbraw/zinc/54/81/38/597548138.db2.gz JKMGSLPBDOIOON-QWHCGFSZSA-N 2 2 326.322 1.870 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C(F)(F)F ZINC000877693531 597548139 /nfs/dbraw/zinc/54/81/39/597548139.db2.gz JKMGSLPBDOIOON-QWHCGFSZSA-N 2 2 326.322 1.870 20 0 EDADLP CC(=O)Nc1cccc2c1CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C2 ZINC000877986071 597567935 /nfs/dbraw/zinc/56/79/35/597567935.db2.gz DXHJUSATZDELDJ-UHFFFAOYSA-N 2 2 344.459 1.214 20 0 EDADLP CC(=O)Nc1cccc2c1CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C2 ZINC000877986071 597567936 /nfs/dbraw/zinc/56/79/36/597567936.db2.gz DXHJUSATZDELDJ-UHFFFAOYSA-N 2 2 344.459 1.214 20 0 EDADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H]1OCCc2ccccc21 ZINC000878035086 597571011 /nfs/dbraw/zinc/57/10/11/597571011.db2.gz YESJYLTZSRHTNN-GOSISDBHSA-N 2 2 331.460 1.443 20 0 EDADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H]1OCCc2ccccc21 ZINC000878035086 597571012 /nfs/dbraw/zinc/57/10/12/597571012.db2.gz YESJYLTZSRHTNN-GOSISDBHSA-N 2 2 331.460 1.443 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CCc3ccc(C(N)=O)cc3)CC2)c1 ZINC000878056636 597572620 /nfs/dbraw/zinc/57/26/20/597572620.db2.gz FTEPMVPXAAYYKJ-UHFFFAOYSA-N 2 2 340.427 1.554 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1cc(Br)no1 ZINC000878549353 597631452 /nfs/dbraw/zinc/63/14/52/597631452.db2.gz FEMGUARFYGFHBC-LLVKDONJSA-N 2 2 332.242 1.888 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)c1cc(Br)no1 ZINC000878549353 597631455 /nfs/dbraw/zinc/63/14/55/597631455.db2.gz FEMGUARFYGFHBC-LLVKDONJSA-N 2 2 332.242 1.888 20 0 EDADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000883156093 597670839 /nfs/dbraw/zinc/67/08/39/597670839.db2.gz DDYDMXOGLOLBPQ-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000883156093 597670843 /nfs/dbraw/zinc/67/08/43/597670843.db2.gz DDYDMXOGLOLBPQ-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000883371420 597725431 /nfs/dbraw/zinc/72/54/31/597725431.db2.gz JLKLCYPXAXXYNL-ZWKOTPCHSA-N 2 2 337.508 1.332 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCOc2ccccc21 ZINC000880142282 597854165 /nfs/dbraw/zinc/85/41/65/597854165.db2.gz MOESRNONHURURF-JKSUJKDBSA-N 2 2 329.444 1.971 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCOc2ccccc21 ZINC000880142282 597854167 /nfs/dbraw/zinc/85/41/67/597854167.db2.gz MOESRNONHURURF-JKSUJKDBSA-N 2 2 329.444 1.971 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CCOc2ccccc21 ZINC000880142282 597854169 /nfs/dbraw/zinc/85/41/69/597854169.db2.gz MOESRNONHURURF-JKSUJKDBSA-N 2 2 329.444 1.971 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CCOc2ccccc21 ZINC000880142282 597854171 /nfs/dbraw/zinc/85/41/71/597854171.db2.gz MOESRNONHURURF-JKSUJKDBSA-N 2 2 329.444 1.971 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccn(CCF)n1 ZINC000880767917 598005323 /nfs/dbraw/zinc/00/53/23/598005323.db2.gz KQUUQMGGPVXLTN-UHFFFAOYSA-N 2 2 340.447 1.342 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccn(CCF)n1 ZINC000880767917 598005325 /nfs/dbraw/zinc/00/53/25/598005325.db2.gz KQUUQMGGPVXLTN-UHFFFAOYSA-N 2 2 340.447 1.342 20 0 EDADLP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000884222192 598034217 /nfs/dbraw/zinc/03/42/17/598034217.db2.gz KGMYMBWLZGTYRN-UHFFFAOYSA-N 2 2 340.431 1.234 20 0 EDADLP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000884222192 598034219 /nfs/dbraw/zinc/03/42/19/598034219.db2.gz KGMYMBWLZGTYRN-UHFFFAOYSA-N 2 2 340.431 1.234 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000884294260 598058104 /nfs/dbraw/zinc/05/81/04/598058104.db2.gz XBRSECLFQRZTCC-AWEZNQCLSA-N 2 2 328.526 1.046 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000884294260 598058107 /nfs/dbraw/zinc/05/81/07/598058107.db2.gz XBRSECLFQRZTCC-AWEZNQCLSA-N 2 2 328.526 1.046 20 0 EDADLP CO[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1)C1CCC1 ZINC001031050699 695385503 /nfs/dbraw/zinc/38/55/03/695385503.db2.gz UVECNYRWYKQYSH-MSOLQXFVSA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)n1 ZINC000939858292 699997436 /nfs/dbraw/zinc/99/74/36/699997436.db2.gz XTLHOSMANSEKRY-ZBFHGGJFSA-N 2 2 330.436 1.297 20 0 EDADLP Cn1nccc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992829028 695388710 /nfs/dbraw/zinc/38/87/10/695388710.db2.gz CGBFEBHYFJJFLG-IAOVAPTHSA-N 2 2 342.447 1.103 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)co1 ZINC000992840480 695398524 /nfs/dbraw/zinc/39/85/24/695398524.db2.gz WOCUTMZRWVFGCU-KBRIMQKVSA-N 2 2 343.431 1.666 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)no1 ZINC000992841353 695404307 /nfs/dbraw/zinc/40/43/07/695404307.db2.gz YRSPPBKLGBGIJH-KBRIMQKVSA-N 2 2 343.431 1.666 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)[C@@H]2C1 ZINC000992847201 695405736 /nfs/dbraw/zinc/40/57/36/695405736.db2.gz AGNWBMFDZSWQAV-CGTJXYLNSA-N 2 2 330.476 1.979 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nncs3)[C@H]2C1 ZINC000992873492 695421377 /nfs/dbraw/zinc/42/13/77/695421377.db2.gz HRVSFFFMAQZFLA-RWMBFGLXSA-N 2 2 346.460 1.221 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cc1F ZINC000939855927 699994162 /nfs/dbraw/zinc/99/41/62/699994162.db2.gz IRWKTVPAYLWGMQ-YOEHRIQHSA-N 2 2 330.407 1.967 20 0 EDADLP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCc1c[nH+]c2n1CCCC2 ZINC000915365405 695803287 /nfs/dbraw/zinc/80/32/87/695803287.db2.gz DHCDJJBJRHFEEC-INIZCTEOSA-N 2 2 338.477 1.125 20 0 EDADLP C[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000915492381 695932619 /nfs/dbraw/zinc/93/26/19/695932619.db2.gz DRGOUEJGMBLZBS-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000915662376 695965293 /nfs/dbraw/zinc/96/52/93/695965293.db2.gz JAOKWEVXKSUKPP-GOEBONIOSA-N 2 2 337.468 1.238 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@@H+]1CCO ZINC000993398796 696047494 /nfs/dbraw/zinc/04/74/94/696047494.db2.gz SNQSSUOVOFRGHC-JSGCOSHPSA-N 2 2 325.478 1.385 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CCC[N@H+]1CCO ZINC000993398796 696047496 /nfs/dbraw/zinc/04/74/96/696047496.db2.gz SNQSSUOVOFRGHC-JSGCOSHPSA-N 2 2 325.478 1.385 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccn2)[C@@H]1C ZINC000993627066 696290608 /nfs/dbraw/zinc/29/06/08/696290608.db2.gz VQKMTCMZXANCQM-NVXWUHKLSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccn2)[C@@H]1C ZINC000993627066 696290610 /nfs/dbraw/zinc/29/06/10/696290610.db2.gz VQKMTCMZXANCQM-NVXWUHKLSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cn(C)nc2C)[C@H]1C ZINC000993627158 696290642 /nfs/dbraw/zinc/29/06/42/696290642.db2.gz WMSDOPBJJJXGLI-DOTOQJQBSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C)[C@H]1C ZINC000993627158 696290643 /nfs/dbraw/zinc/29/06/43/696290643.db2.gz WMSDOPBJJJXGLI-DOTOQJQBSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994208952 696582353 /nfs/dbraw/zinc/58/23/53/696582353.db2.gz NFBMLPXJSBDXSQ-PBHICJAKSA-N 2 2 344.463 1.174 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994208952 696582354 /nfs/dbraw/zinc/58/23/54/696582354.db2.gz NFBMLPXJSBDXSQ-PBHICJAKSA-N 2 2 344.463 1.174 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)O[C@@H]3CCOC3)CC2)CC1 ZINC000916582925 696683451 /nfs/dbraw/zinc/68/34/51/696683451.db2.gz XLHOJSREVUJFNU-MRXNPFEDSA-N 2 2 325.453 1.404 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)O[C@@H]3CCOC3)CC2)CC1 ZINC000916582925 696683452 /nfs/dbraw/zinc/68/34/52/696683452.db2.gz XLHOJSREVUJFNU-MRXNPFEDSA-N 2 2 325.453 1.404 20 0 EDADLP Cc1nnsc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994417842 696833386 /nfs/dbraw/zinc/83/33/86/696833386.db2.gz GCXXJKBFEHPFEK-GXTWGEPZSA-N 2 2 348.476 1.521 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994417842 696833388 /nfs/dbraw/zinc/83/33/88/696833388.db2.gz GCXXJKBFEHPFEK-GXTWGEPZSA-N 2 2 348.476 1.521 20 0 EDADLP CCC[C@H](O)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000918906018 697222490 /nfs/dbraw/zinc/22/24/90/697222490.db2.gz KQCIABARYVZMII-HOCLYGCPSA-N 2 2 326.485 1.005 20 0 EDADLP CCC[C@H](O)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000918906018 697222491 /nfs/dbraw/zinc/22/24/91/697222491.db2.gz KQCIABARYVZMII-HOCLYGCPSA-N 2 2 326.485 1.005 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669581 697464767 /nfs/dbraw/zinc/46/47/67/697464767.db2.gz OLBDAZJHWADDSC-LSDHHAIUSA-N 2 2 334.489 1.566 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669581 697464770 /nfs/dbraw/zinc/46/47/70/697464770.db2.gz OLBDAZJHWADDSC-LSDHHAIUSA-N 2 2 334.489 1.566 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)c3cc([C@H]4CCC[N@@H+]4C)n[nH]3)C2)C1 ZINC001031686719 697517407 /nfs/dbraw/zinc/51/74/07/697517407.db2.gz SKTXFWZIAHFAMS-WTNGLUPJSA-N 2 2 345.491 1.884 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)c3cc([C@H]4CCC[N@H+]4C)n[nH]3)C2)C1 ZINC001031686719 697517409 /nfs/dbraw/zinc/51/74/09/697517409.db2.gz SKTXFWZIAHFAMS-WTNGLUPJSA-N 2 2 345.491 1.884 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(OC)no2)C1 ZINC001031715599 697740999 /nfs/dbraw/zinc/74/09/99/697740999.db2.gz WWMDGWMANIQDEU-OAHLLOKOSA-N 2 2 336.436 1.106 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(OC)no2)C1 ZINC001031715599 697741003 /nfs/dbraw/zinc/74/10/03/697741003.db2.gz WWMDGWMANIQDEU-OAHLLOKOSA-N 2 2 336.436 1.106 20 0 EDADLP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000940082889 700177289 /nfs/dbraw/zinc/17/72/89/700177289.db2.gz BGAXHNBFWIUPOH-UHFFFAOYSA-N 2 2 344.463 1.730 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)nn1C ZINC000940083889 700178529 /nfs/dbraw/zinc/17/85/29/700178529.db2.gz ZRXWUUHNVXIUDS-UHFFFAOYSA-N 2 2 344.463 1.555 20 0 EDADLP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943178780 697875865 /nfs/dbraw/zinc/87/58/65/697875865.db2.gz VHRCWDMBCXGZOO-WMLDXEAASA-N 2 2 327.432 1.682 20 0 EDADLP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943178780 697875871 /nfs/dbraw/zinc/87/58/71/697875871.db2.gz VHRCWDMBCXGZOO-WMLDXEAASA-N 2 2 327.432 1.682 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943255912 698021362 /nfs/dbraw/zinc/02/13/62/698021362.db2.gz QMONYRIFJNDHGM-AEFFLSMTSA-N 2 2 349.519 1.868 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000943255912 698021364 /nfs/dbraw/zinc/02/13/64/698021364.db2.gz QMONYRIFJNDHGM-AEFFLSMTSA-N 2 2 349.519 1.868 20 0 EDADLP Cc1noc(CCC[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC000943767342 698868067 /nfs/dbraw/zinc/86/80/67/698868067.db2.gz VJEWXHCZMOPCSM-TZMCWYRMSA-N 2 2 346.435 1.103 20 0 EDADLP Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC000943767342 698868071 /nfs/dbraw/zinc/86/80/71/698868071.db2.gz VJEWXHCZMOPCSM-TZMCWYRMSA-N 2 2 346.435 1.103 20 0 EDADLP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC000941499737 701560847 /nfs/dbraw/zinc/56/08/47/701560847.db2.gz BDIPJDGVSJSYPU-INIZCTEOSA-N 2 2 347.507 1.227 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1C ZINC000995157816 701565436 /nfs/dbraw/zinc/56/54/36/701565436.db2.gz ZYCZLMFGAVUWMV-KGLIPLIRSA-N 2 2 330.436 1.069 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001031777060 699161031 /nfs/dbraw/zinc/16/10/31/699161031.db2.gz VFMNBDHRSDSOFP-QGZVFWFLSA-N 2 2 346.475 1.513 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001031777060 699161032 /nfs/dbraw/zinc/16/10/32/699161032.db2.gz VFMNBDHRSDSOFP-QGZVFWFLSA-N 2 2 346.475 1.513 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939137617 699225041 /nfs/dbraw/zinc/22/50/41/699225041.db2.gz LEFBREBEMWJPTH-ZIAGYGMSSA-N 2 2 349.479 1.300 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939210246 699357868 /nfs/dbraw/zinc/35/78/68/699357868.db2.gz MPKZQVLPHNNDQF-BDJLRTHQSA-N 2 2 329.404 1.454 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)ccc1C ZINC000939212021 699360855 /nfs/dbraw/zinc/36/08/55/699360855.db2.gz WKAVGJAFPXQJAZ-WMLDXEAASA-N 2 2 342.443 1.906 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939410127 699564428 /nfs/dbraw/zinc/56/44/28/699564428.db2.gz XZHRPVCENNAKAB-DGCLKSJQSA-N 2 2 333.823 1.637 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1[NH2+]CC1CC1 ZINC000939528006 699666579 /nfs/dbraw/zinc/66/65/79/699666579.db2.gz GLKLVHKCTNSMTP-GUYCJALGSA-N 2 2 325.416 1.727 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939535827 699676913 /nfs/dbraw/zinc/67/69/13/699676913.db2.gz SBJOYPPUASWCIF-DZGCQCFKSA-N 2 2 327.432 1.719 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)c1 ZINC000939536549 699677704 /nfs/dbraw/zinc/67/77/04/699677704.db2.gz WRRUQHZHZXCZHS-KBXCAEBGSA-N 2 2 342.443 1.608 20 0 EDADLP COc1nscc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939537347 699678240 /nfs/dbraw/zinc/67/82/40/699678240.db2.gz ZOMHMNBTXAFEAR-RISCZKNCSA-N 2 2 349.460 1.064 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000939624032 699761478 /nfs/dbraw/zinc/76/14/78/699761478.db2.gz WFBUIVZHODRIJH-CXAGYDPISA-N 2 2 344.463 1.675 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC000939624915 699762710 /nfs/dbraw/zinc/76/27/10/699762710.db2.gz ZQVYOYXJACWLFC-KSSFIOAISA-N 2 2 326.444 1.940 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccccc1 ZINC000939640915 699770359 /nfs/dbraw/zinc/77/03/59/699770359.db2.gz BJMUKSCJXDIRFG-CRAIPNDOSA-N 2 2 326.444 1.989 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)c1cccc2[nH+]ccn21 ZINC001031843741 699868999 /nfs/dbraw/zinc/86/89/99/699868999.db2.gz MKPNRSSSSOGSDR-CQSZACIVSA-N 2 2 328.416 1.423 20 0 EDADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939754157 699904296 /nfs/dbraw/zinc/90/42/96/699904296.db2.gz LNUNPTOJQRUHRL-SMDDNHRTSA-N 2 2 349.460 1.293 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]Cc2nccs2)CC1 ZINC000940227651 700391984 /nfs/dbraw/zinc/39/19/84/700391984.db2.gz CCOMYSIBGZDALA-UHFFFAOYSA-N 2 2 347.488 1.980 20 0 EDADLP C[C@H]1CC[C@H](C[NH2+]C2(C)CCN(C(=O)CCc3[nH+]ccn3C)CC2)O1 ZINC000940228841 700394221 /nfs/dbraw/zinc/39/42/21/700394221.db2.gz RYZAQSBHIHECRS-JKSUJKDBSA-N 2 2 348.491 1.891 20 0 EDADLP CC1([NH2+]CC2CC2)CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000940231911 700397372 /nfs/dbraw/zinc/39/73/72/700397372.db2.gz KEVLVNRKWWXRLH-GOSISDBHSA-N 2 2 349.519 1.868 20 0 EDADLP CC1([NH2+]CC2CC2)CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000940231911 700397376 /nfs/dbraw/zinc/39/73/76/700397376.db2.gz KEVLVNRKWWXRLH-GOSISDBHSA-N 2 2 349.519 1.868 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)ncn1 ZINC000940243370 700404851 /nfs/dbraw/zinc/40/48/51/700404851.db2.gz LRXQXUYLCDCNOF-UHFFFAOYSA-N 2 2 342.447 1.543 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2cc(C)ncn2)CC1 ZINC000940441994 700643602 /nfs/dbraw/zinc/64/36/02/700643602.db2.gz WAOZZRPBTSTTRU-UHFFFAOYSA-N 2 2 342.447 1.530 20 0 EDADLP CC1([NH2+]C[C@H]2C[C@]23CCOC3)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482728 700670631 /nfs/dbraw/zinc/67/06/31/700670631.db2.gz NPAMLWAKFMLUBO-QAPCUYQASA-N 2 2 332.448 1.280 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@]23CCOC3)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482729 700670647 /nfs/dbraw/zinc/67/06/47/700670647.db2.gz NPAMLWAKFMLUBO-YJBOKZPZSA-N 2 2 332.448 1.280 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCO)CC3(C)C)ccn12 ZINC000940745707 700872225 /nfs/dbraw/zinc/87/22/25/700872225.db2.gz STYZTYSTJSGAFK-HNNXBMFYSA-N 2 2 330.432 1.465 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCO)CC3(C)C)ccn12 ZINC000940745707 700872227 /nfs/dbraw/zinc/87/22/27/700872227.db2.gz STYZTYSTJSGAFK-HNNXBMFYSA-N 2 2 330.432 1.465 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)CC2(C)C)c[nH+]1 ZINC000940836869 700934761 /nfs/dbraw/zinc/93/47/61/700934761.db2.gz NPNFZKDMQAQKQA-ZIAGYGMSSA-N 2 2 349.479 1.017 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(N)=O)CC2(C)C)c[nH+]1 ZINC000940836869 700934763 /nfs/dbraw/zinc/93/47/63/700934763.db2.gz NPNFZKDMQAQKQA-ZIAGYGMSSA-N 2 2 349.479 1.017 20 0 EDADLP CCn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995105685 700939607 /nfs/dbraw/zinc/93/96/07/700939607.db2.gz GYPQMUNTGXVZGW-ZIAGYGMSSA-N 2 2 330.436 1.243 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)C2)o1 ZINC000940892770 700967787 /nfs/dbraw/zinc/96/77/87/700967787.db2.gz JXXSUAALPLDHHE-HNNXBMFYSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)C2)o1 ZINC000940892770 700967788 /nfs/dbraw/zinc/96/77/88/700967788.db2.gz JXXSUAALPLDHHE-HNNXBMFYSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)CC1(C)C ZINC000940894348 700985421 /nfs/dbraw/zinc/98/54/21/700985421.db2.gz XXKNAPZFQJMXRS-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)CC1(C)C ZINC000940894348 700985423 /nfs/dbraw/zinc/98/54/23/700985423.db2.gz XXKNAPZFQJMXRS-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP CCc1onc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995110678 701000642 /nfs/dbraw/zinc/00/06/42/701000642.db2.gz YULGZGUTZLMMMZ-UONOGXRCSA-N 2 2 345.447 1.886 20 0 EDADLP CC1(C)C[N@H+](C[C@@H]2CCCOC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060356 701107145 /nfs/dbraw/zinc/10/71/45/701107145.db2.gz FXBLCTCVKYQDFP-GOEBONIOSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060356 701107146 /nfs/dbraw/zinc/10/71/46/701107146.db2.gz FXBLCTCVKYQDFP-GOEBONIOSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@H+](CCC[C@H]2CCOC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061791 701109248 /nfs/dbraw/zinc/10/92/48/701109248.db2.gz QLSRLWNZZDYAFA-DOTOQJQBSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@@H+](CCC[C@H]2CCOC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061791 701109250 /nfs/dbraw/zinc/10/92/50/701109250.db2.gz QLSRLWNZZDYAFA-DOTOQJQBSA-N 2 2 348.491 1.986 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)n1 ZINC000945806116 701195614 /nfs/dbraw/zinc/19/56/14/701195614.db2.gz ASGNLFNRXAYZBU-WMLDXEAASA-N 2 2 344.463 1.223 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)n1 ZINC000945806116 701195618 /nfs/dbraw/zinc/19/56/18/701195618.db2.gz ASGNLFNRXAYZBU-WMLDXEAASA-N 2 2 344.463 1.223 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001031932260 701384781 /nfs/dbraw/zinc/38/47/81/701384781.db2.gz ZOGBXFYIAVTRLL-UHFFFAOYSA-N 2 2 334.445 1.660 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000941185705 701390478 /nfs/dbraw/zinc/39/04/78/701390478.db2.gz APIMTISTTVWBBW-RDJZCZTQSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000941185705 701390479 /nfs/dbraw/zinc/39/04/79/701390479.db2.gz APIMTISTTVWBBW-RDJZCZTQSA-N 2 2 348.491 1.904 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215850 701402184 /nfs/dbraw/zinc/40/21/84/701402184.db2.gz BERQMCCZAICVQG-LSDHHAIUSA-N 2 2 331.464 1.145 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215850 701402185 /nfs/dbraw/zinc/40/21/85/701402185.db2.gz BERQMCCZAICVQG-LSDHHAIUSA-N 2 2 331.464 1.145 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215850 701402186 /nfs/dbraw/zinc/40/21/86/701402186.db2.gz BERQMCCZAICVQG-LSDHHAIUSA-N 2 2 331.464 1.145 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215850 701402187 /nfs/dbraw/zinc/40/21/87/701402187.db2.gz BERQMCCZAICVQG-LSDHHAIUSA-N 2 2 331.464 1.145 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)no1 ZINC000941216031 701402218 /nfs/dbraw/zinc/40/22/18/701402218.db2.gz BZWXUNMZJWJPSZ-ZBFHGGJFSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)no1 ZINC000941216031 701402219 /nfs/dbraw/zinc/40/22/19/701402219.db2.gz BZWXUNMZJWJPSZ-ZBFHGGJFSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)no1 ZINC000941216031 701402220 /nfs/dbraw/zinc/40/22/20/701402220.db2.gz BZWXUNMZJWJPSZ-ZBFHGGJFSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)no1 ZINC000941216031 701402221 /nfs/dbraw/zinc/40/22/21/701402221.db2.gz BZWXUNMZJWJPSZ-ZBFHGGJFSA-N 2 2 334.464 1.651 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cccc(Cl)n3)C2)CC1 ZINC001031947814 701503918 /nfs/dbraw/zinc/50/39/18/701503918.db2.gz LDSJNEQIRFDXIB-UHFFFAOYSA-N 2 2 336.867 1.625 20 0 EDADLP CCCn1ncnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995148009 701528469 /nfs/dbraw/zinc/52/84/69/701528469.db2.gz AASYZWAFTIOXMR-KBPBESRZSA-N 2 2 345.451 1.028 20 0 EDADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129239 701814474 /nfs/dbraw/zinc/81/44/74/701814474.db2.gz UIGLHIILOGQQHC-HOTGVXAUSA-N 2 2 333.480 1.089 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001032201506 701868548 /nfs/dbraw/zinc/86/85/48/701868548.db2.gz GIVXXSGWOHONFA-MBNRZODZSA-N 2 2 343.471 1.469 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001032201506 701868554 /nfs/dbraw/zinc/86/85/54/701868554.db2.gz GIVXXSGWOHONFA-MBNRZODZSA-N 2 2 343.471 1.469 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccnn2C)C1 ZINC000995179556 701907225 /nfs/dbraw/zinc/90/72/25/701907225.db2.gz BUNHQGJRUFZLKY-KGLIPLIRSA-N 2 2 330.436 1.069 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)on1 ZINC000995179615 701907968 /nfs/dbraw/zinc/90/79/68/701907968.db2.gz BWILFBKYIKNSQK-CHWSQXEVSA-N 2 2 347.419 1.332 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976254 701952255 /nfs/dbraw/zinc/95/22/55/701952255.db2.gz HYGBFBJODZXFQG-CXAGYDPISA-N 2 2 349.450 1.580 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976254 701952259 /nfs/dbraw/zinc/95/22/59/701952259.db2.gz HYGBFBJODZXFQG-CXAGYDPISA-N 2 2 349.450 1.580 20 0 EDADLP C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C)c1cnccn1 ZINC000995744517 701954015 /nfs/dbraw/zinc/95/40/15/701954015.db2.gz HOEQGUXTRKLTJN-DZGCQCFKSA-N 2 2 342.447 1.720 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)CC[N@@H+]1C ZINC000999189346 706631419 /nfs/dbraw/zinc/63/14/19/706631419.db2.gz KGYBGAGWRMXNFX-BPLDGKMQSA-N 2 2 347.463 1.368 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C2)CC[N@H+]1C ZINC000999189346 706631422 /nfs/dbraw/zinc/63/14/22/706631422.db2.gz KGYBGAGWRMXNFX-BPLDGKMQSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cncs2)C[C@H]1C ZINC000944445182 702031511 /nfs/dbraw/zinc/03/15/11/702031511.db2.gz MXHIJCQXYCDRDL-BXUZGUMPSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cncs2)C[C@H]1C ZINC000944445182 702031519 /nfs/dbraw/zinc/03/15/19/702031519.db2.gz MXHIJCQXYCDRDL-BXUZGUMPSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cncn2C)C1 ZINC000995185388 702124348 /nfs/dbraw/zinc/12/43/48/702124348.db2.gz NVVIUKJEXXVTRN-UONOGXRCSA-N 2 2 330.436 1.069 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)cn1 ZINC000995891496 702234875 /nfs/dbraw/zinc/23/48/75/702234875.db2.gz LNNPTEKMCNCQQW-MRXNPFEDSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918498 702237936 /nfs/dbraw/zinc/23/79/36/702237936.db2.gz NVGFFESAUVDQGH-WFASDCNBSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918498 702237939 /nfs/dbraw/zinc/23/79/39/702237939.db2.gz NVGFFESAUVDQGH-WFASDCNBSA-N 2 2 349.479 1.750 20 0 EDADLP C[C@@H]1C[N@H+](CCOC2CCC2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097278 702262197 /nfs/dbraw/zinc/26/21/97/702262197.db2.gz FXLJCFCOZDRJML-PBHICJAKSA-N 2 2 334.464 1.358 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC2CCC2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097278 702262202 /nfs/dbraw/zinc/26/22/02/702262202.db2.gz FXLJCFCOZDRJML-PBHICJAKSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)ncn1 ZINC000944097621 702263482 /nfs/dbraw/zinc/26/34/82/702263482.db2.gz JAWMYIYZUFDAAM-CXAGYDPISA-N 2 2 342.447 1.088 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)ncn1 ZINC000944097621 702263485 /nfs/dbraw/zinc/26/34/85/702263485.db2.gz JAWMYIYZUFDAAM-CXAGYDPISA-N 2 2 342.447 1.088 20 0 EDADLP C[C@H]1C[N@H+](CCF)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944121120 702288357 /nfs/dbraw/zinc/28/83/57/702288357.db2.gz IDPBPLHPZUWQKP-ZFWWWQNUSA-N 2 2 331.395 1.677 20 0 EDADLP C[C@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944121120 702288365 /nfs/dbraw/zinc/28/83/65/702288365.db2.gz IDPBPLHPZUWQKP-ZFWWWQNUSA-N 2 2 331.395 1.677 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944171675 702417163 /nfs/dbraw/zinc/41/71/63/702417163.db2.gz ZXMOVLKCHUNDQQ-DOMZBBRYSA-N 2 2 344.419 1.171 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944171675 702417167 /nfs/dbraw/zinc/41/71/67/702417167.db2.gz ZXMOVLKCHUNDQQ-DOMZBBRYSA-N 2 2 344.419 1.171 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944171676 702417519 /nfs/dbraw/zinc/41/75/19/702417519.db2.gz ZXMOVLKCHUNDQQ-IUODEOHRSA-N 2 2 344.419 1.171 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944171676 702417525 /nfs/dbraw/zinc/41/75/25/702417525.db2.gz ZXMOVLKCHUNDQQ-IUODEOHRSA-N 2 2 344.419 1.171 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000996042852 702460097 /nfs/dbraw/zinc/46/00/97/702460097.db2.gz NDVJNSUFMGETNJ-CYBMUJFWSA-N 2 2 333.461 1.675 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nccs1 ZINC000996104153 702523457 /nfs/dbraw/zinc/52/34/57/702523457.db2.gz ABLQXULKUFMNFT-CYBMUJFWSA-N 2 2 333.461 1.757 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)o1 ZINC000996301488 702693397 /nfs/dbraw/zinc/69/33/97/702693397.db2.gz UFPLUXLZBICNST-JSGCOSHPSA-N 2 2 335.452 1.189 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000996354947 702732769 /nfs/dbraw/zinc/73/27/69/702732769.db2.gz JZBFMNVNAIARCV-HOTGVXAUSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000996356947 702734167 /nfs/dbraw/zinc/73/41/67/702734167.db2.gz USRKLEACYFJCEM-HNNXBMFYSA-N 2 2 328.420 1.077 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996399282 702756230 /nfs/dbraw/zinc/75/62/30/702756230.db2.gz RHAGCIPVQRYGNE-HOCLYGCPSA-N 2 2 344.463 1.312 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996399282 702756233 /nfs/dbraw/zinc/75/62/33/702756233.db2.gz RHAGCIPVQRYGNE-HOCLYGCPSA-N 2 2 344.463 1.312 20 0 EDADLP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C(C)(C)C2)CC1 ZINC000996450678 702796158 /nfs/dbraw/zinc/79/61/58/702796158.db2.gz XIQYVELOGJMLLS-MRXNPFEDSA-N 2 2 345.491 1.535 20 0 EDADLP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996459665 702803808 /nfs/dbraw/zinc/80/38/08/702803808.db2.gz DVUUQYMAVIUQTM-OAHLLOKOSA-N 2 2 327.432 1.682 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996568778 702880798 /nfs/dbraw/zinc/88/07/98/702880798.db2.gz LSBRGRWSKNHQOA-INIZCTEOSA-N 2 2 344.463 1.113 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996608093 702911619 /nfs/dbraw/zinc/91/16/19/702911619.db2.gz FYDBKWZWDZLTKB-UONOGXRCSA-N 2 2 349.479 1.300 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996608093 702911620 /nfs/dbraw/zinc/91/16/20/702911620.db2.gz FYDBKWZWDZLTKB-UONOGXRCSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996652393 702942107 /nfs/dbraw/zinc/94/21/07/702942107.db2.gz VDLFRVUFGSYVFQ-UHFFFAOYSA-N 2 2 330.436 1.165 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996652393 702942109 /nfs/dbraw/zinc/94/21/09/702942109.db2.gz VDLFRVUFGSYVFQ-UHFFFAOYSA-N 2 2 330.436 1.165 20 0 EDADLP Cc1nnsc1C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996653160 702942492 /nfs/dbraw/zinc/94/24/92/702942492.db2.gz ZCFCMMWXYFEVLZ-UHFFFAOYSA-N 2 2 334.449 1.283 20 0 EDADLP Cc1nnsc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996653160 702942494 /nfs/dbraw/zinc/94/24/94/702942494.db2.gz ZCFCMMWXYFEVLZ-UHFFFAOYSA-N 2 2 334.449 1.283 20 0 EDADLP COc1cccc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC000996653196 702942910 /nfs/dbraw/zinc/94/29/10/702942910.db2.gz ZUVRDZXNTUSOBX-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP COc1cccc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC000996653196 702942913 /nfs/dbraw/zinc/94/29/13/702942913.db2.gz ZUVRDZXNTUSOBX-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000996669501 702971139 /nfs/dbraw/zinc/97/11/39/702971139.db2.gz GHCNCHVXNYXFPD-HUUCEWRRSA-N 2 2 349.479 1.579 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000996669501 702971140 /nfs/dbraw/zinc/97/11/40/702971140.db2.gz GHCNCHVXNYXFPD-HUUCEWRRSA-N 2 2 349.479 1.579 20 0 EDADLP COc1ncccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995254470 702995202 /nfs/dbraw/zinc/99/52/02/702995202.db2.gz VAXSNYNHFDOGAZ-GOEBONIOSA-N 2 2 343.431 1.361 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995256207 703003932 /nfs/dbraw/zinc/00/39/32/703003932.db2.gz YRZKXHGJOLWPTB-XJKSGUPXSA-N 2 2 331.395 1.492 20 0 EDADLP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996712854 703007822 /nfs/dbraw/zinc/00/78/22/703007822.db2.gz HKIBSGKERRYKOQ-MRXNPFEDSA-N 2 2 344.463 1.169 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000995255212 703008724 /nfs/dbraw/zinc/00/87/24/703008724.db2.gz WIVFPVSBMXKSKY-GDBMZVCRSA-N 2 2 328.420 1.056 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)n1 ZINC000996714281 703009064 /nfs/dbraw/zinc/00/90/64/703009064.db2.gz KGMSIJYKISNVFF-ZDUSSCGKSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)on1 ZINC000942518135 703012900 /nfs/dbraw/zinc/01/29/00/703012900.db2.gz NALDQWKGAYTKQW-WBMJQRKESA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)on1 ZINC000942518135 703012903 /nfs/dbraw/zinc/01/29/03/703012903.db2.gz NALDQWKGAYTKQW-WBMJQRKESA-N 2 2 331.420 1.515 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996738128 703034211 /nfs/dbraw/zinc/03/42/11/703034211.db2.gz LVWRGGXYNUHHLO-INIZCTEOSA-N 2 2 339.443 1.621 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001032026901 703046467 /nfs/dbraw/zinc/04/64/67/703046467.db2.gz KLQSPCDIQWVSAP-MRXNPFEDSA-N 2 2 336.505 1.954 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001032026901 703046470 /nfs/dbraw/zinc/04/64/70/703046470.db2.gz KLQSPCDIQWVSAP-MRXNPFEDSA-N 2 2 336.505 1.954 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996760329 703048606 /nfs/dbraw/zinc/04/86/06/703048606.db2.gz SREWXJNWXSIOKM-MRXNPFEDSA-N 2 2 346.475 1.453 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001032026311 703052105 /nfs/dbraw/zinc/05/21/05/703052105.db2.gz CBKXFGODYBBSEJ-KRWDZBQOSA-N 2 2 333.480 1.231 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001032026311 703052108 /nfs/dbraw/zinc/05/21/08/703052108.db2.gz CBKXFGODYBBSEJ-KRWDZBQOSA-N 2 2 333.480 1.231 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556135 703070502 /nfs/dbraw/zinc/07/05/02/703070502.db2.gz VZJJFABXGKOCDG-DZGCQCFKSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556135 703070505 /nfs/dbraw/zinc/07/05/05/703070505.db2.gz VZJJFABXGKOCDG-DZGCQCFKSA-N 2 2 335.452 1.271 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)[nH]1 ZINC000996799946 703086132 /nfs/dbraw/zinc/08/61/32/703086132.db2.gz CGEOQDFFDNHVBX-CYBMUJFWSA-N 2 2 345.451 1.214 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996858382 703142760 /nfs/dbraw/zinc/14/27/60/703142760.db2.gz HNROYVSVTMAIHD-UHFFFAOYSA-N 2 2 345.447 1.913 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@H](C[NH2+]CC2CCC2)[C@H](C(F)(F)F)C1 ZINC000996859596 703143442 /nfs/dbraw/zinc/14/34/42/703143442.db2.gz PJRGJBIZGSTDQD-UONOGXRCSA-N 2 2 344.381 1.910 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996860540 703143866 /nfs/dbraw/zinc/14/38/66/703143866.db2.gz SMPJKBMSQLBYGN-CHWSQXEVSA-N 2 2 344.381 1.897 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032043071 703213684 /nfs/dbraw/zinc/21/36/84/703213684.db2.gz ULWXDGXZBWRYTA-GOEBONIOSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032043071 703213685 /nfs/dbraw/zinc/21/36/85/703213685.db2.gz ULWXDGXZBWRYTA-GOEBONIOSA-N 2 2 334.489 1.708 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997019887 703281853 /nfs/dbraw/zinc/28/18/53/703281853.db2.gz BXKDYMBOWMTYKV-GVDBMIGSSA-N 2 2 346.475 1.673 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCCO1 ZINC001032378910 703352201 /nfs/dbraw/zinc/35/22/01/703352201.db2.gz ZYJVHHPBBAEHPK-JYJNAYRXSA-N 2 2 332.448 1.587 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCCO1 ZINC001032378910 703352202 /nfs/dbraw/zinc/35/22/02/703352202.db2.gz ZYJVHHPBBAEHPK-JYJNAYRXSA-N 2 2 332.448 1.587 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)C1CCCCC1 ZINC001032379402 703353753 /nfs/dbraw/zinc/35/37/53/703353753.db2.gz PIGYFVMWSFFAQG-YESZJQIVSA-N 2 2 346.475 1.569 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C1CCCCC1 ZINC001032379402 703353754 /nfs/dbraw/zinc/35/37/54/703353754.db2.gz PIGYFVMWSFFAQG-YESZJQIVSA-N 2 2 346.475 1.569 20 0 EDADLP Cc1nsc(C)c1C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997128944 703387639 /nfs/dbraw/zinc/38/76/39/703387639.db2.gz WTEAYHMKSYREEJ-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC000997181162 703471109 /nfs/dbraw/zinc/47/11/09/703471109.db2.gz WFBKOHPWIPZHAX-HUUCEWRRSA-N 2 2 334.464 1.358 20 0 EDADLP CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000997278557 703536789 /nfs/dbraw/zinc/53/67/89/703536789.db2.gz GANFUPOGDRANMS-CRAIPNDOSA-N 2 2 337.508 1.866 20 0 EDADLP CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000997278557 703536790 /nfs/dbraw/zinc/53/67/90/703536790.db2.gz GANFUPOGDRANMS-CRAIPNDOSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1noc([C@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000997308537 703566569 /nfs/dbraw/zinc/56/65/69/703566569.db2.gz FLUIMJYIKWMZOA-NSHDSACASA-N 2 2 332.408 1.225 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)c(C)n1 ZINC001032444808 703622300 /nfs/dbraw/zinc/62/23/00/703622300.db2.gz NLARLWJJBZFQHQ-FHWLQOOXSA-N 2 2 342.487 1.824 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)c(C)n1 ZINC001032444808 703622301 /nfs/dbraw/zinc/62/23/01/703622301.db2.gz NLARLWJJBZFQHQ-FHWLQOOXSA-N 2 2 342.487 1.824 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000997413857 703668535 /nfs/dbraw/zinc/66/85/35/703668535.db2.gz QIOBGMIHRKZJHL-UHFFFAOYSA-N 2 2 328.416 1.673 20 0 EDADLP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000997516558 703765695 /nfs/dbraw/zinc/76/56/95/703765695.db2.gz SEILALGQOIFNAN-RDJZCZTQSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1 ZINC000997516558 703765696 /nfs/dbraw/zinc/76/56/96/703765696.db2.gz SEILALGQOIFNAN-RDJZCZTQSA-N 2 2 345.491 1.596 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCC(F)(F)F ZINC000947928629 703812473 /nfs/dbraw/zinc/81/24/73/703812473.db2.gz DYRDKYBUYRSKIV-RYUDHWBXSA-N 2 2 332.370 1.884 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCC(F)(F)F ZINC000947928629 703812475 /nfs/dbraw/zinc/81/24/75/703812475.db2.gz DYRDKYBUYRSKIV-RYUDHWBXSA-N 2 2 332.370 1.884 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930669 703883310 /nfs/dbraw/zinc/88/33/10/703883310.db2.gz TUWWHMWFFIVABP-IUODEOHRSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930669 703883312 /nfs/dbraw/zinc/88/33/12/703883312.db2.gz TUWWHMWFFIVABP-IUODEOHRSA-N 2 2 331.420 1.428 20 0 EDADLP CCc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc(C)[nH+]1 ZINC001061425605 703925826 /nfs/dbraw/zinc/92/58/26/703925826.db2.gz QEAYYJLCKIYHDZ-CVEARBPZSA-N 2 2 345.491 1.917 20 0 EDADLP CCc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)cc(C)[nH+]1 ZINC001061425605 703925829 /nfs/dbraw/zinc/92/58/29/703925829.db2.gz QEAYYJLCKIYHDZ-CVEARBPZSA-N 2 2 345.491 1.917 20 0 EDADLP COCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000997650573 703962851 /nfs/dbraw/zinc/96/28/51/703962851.db2.gz ZSLXBXFOJLCVQA-BBRMVZONSA-N 2 2 348.491 1.686 20 0 EDADLP COCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000997650573 703962853 /nfs/dbraw/zinc/96/28/53/703962853.db2.gz ZSLXBXFOJLCVQA-BBRMVZONSA-N 2 2 348.491 1.686 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001032521127 703967336 /nfs/dbraw/zinc/96/73/36/703967336.db2.gz WJBBKFDJSCXORY-ROUUACIJSA-N 2 2 333.395 1.828 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001032521127 703967340 /nfs/dbraw/zinc/96/73/40/703967340.db2.gz WJBBKFDJSCXORY-ROUUACIJSA-N 2 2 333.395 1.828 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001033070857 704105607 /nfs/dbraw/zinc/10/56/07/704105607.db2.gz TWYNRWQOHFQVEP-ZWKOTPCHSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001033070857 704105610 /nfs/dbraw/zinc/10/56/10/704105610.db2.gz TWYNRWQOHFQVEP-ZWKOTPCHSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001033070857 704105612 /nfs/dbraw/zinc/10/56/12/704105612.db2.gz TWYNRWQOHFQVEP-ZWKOTPCHSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001033070857 704105616 /nfs/dbraw/zinc/10/56/16/704105616.db2.gz TWYNRWQOHFQVEP-ZWKOTPCHSA-N 2 2 345.491 1.691 20 0 EDADLP COCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997763550 704668511 /nfs/dbraw/zinc/66/85/11/704668511.db2.gz YQEPBCPIJLUMHT-NUEKZKHPSA-N 2 2 334.464 1.387 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cccs1 ZINC001032550374 704687214 /nfs/dbraw/zinc/68/72/14/704687214.db2.gz OCJMJMPRGTUHAJ-GJZGRUSLSA-N 2 2 330.457 1.863 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cccs1 ZINC001032550374 704687216 /nfs/dbraw/zinc/68/72/16/704687216.db2.gz OCJMJMPRGTUHAJ-GJZGRUSLSA-N 2 2 330.457 1.863 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000944944524 704797389 /nfs/dbraw/zinc/79/73/89/704797389.db2.gz MYJRZWRMELJMNU-GUYCJALGSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000944944524 704797391 /nfs/dbraw/zinc/79/73/91/704797391.db2.gz MYJRZWRMELJMNU-GUYCJALGSA-N 2 2 342.447 1.317 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965363 704835535 /nfs/dbraw/zinc/83/55/35/704835535.db2.gz RIFDGOZVUGBLST-ZBFHGGJFSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944965363 704835541 /nfs/dbraw/zinc/83/55/41/704835541.db2.gz RIFDGOZVUGBLST-ZBFHGGJFSA-N 2 2 344.463 1.435 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C[C@H]1C ZINC000944966523 704839054 /nfs/dbraw/zinc/83/90/54/704839054.db2.gz ZWIRYRVGHVYJCH-CXAGYDPISA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C[C@H]1C ZINC000944966523 704839059 /nfs/dbraw/zinc/83/90/59/704839059.db2.gz ZWIRYRVGHVYJCH-CXAGYDPISA-N 2 2 342.447 1.317 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000948634404 704990944 /nfs/dbraw/zinc/99/09/44/704990944.db2.gz YVXRZSFGBZORJU-SFHVURJKSA-N 2 2 347.507 1.519 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000948634404 704990947 /nfs/dbraw/zinc/99/09/47/704990947.db2.gz YVXRZSFGBZORJU-SFHVURJKSA-N 2 2 347.507 1.519 20 0 EDADLP Cn1ccnc1C[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000997931043 705027367 /nfs/dbraw/zinc/02/73/67/705027367.db2.gz VKEKFCSODCSFIT-UHFFFAOYSA-N 2 2 344.463 1.115 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000997928278 705032514 /nfs/dbraw/zinc/03/25/14/705032514.db2.gz GUEIEYIKUKXYCS-UHFFFAOYSA-N 2 2 344.463 1.115 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)CC1 ZINC000997948167 705069454 /nfs/dbraw/zinc/06/94/54/705069454.db2.gz GSJDZEYHLVHJRC-HZPDHXFCSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)CC1 ZINC000997948167 705069460 /nfs/dbraw/zinc/06/94/60/705069460.db2.gz GSJDZEYHLVHJRC-HZPDHXFCSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000997948167 705069467 /nfs/dbraw/zinc/06/94/67/705069467.db2.gz GSJDZEYHLVHJRC-HZPDHXFCSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000997948167 705069474 /nfs/dbraw/zinc/06/94/74/705069474.db2.gz GSJDZEYHLVHJRC-HZPDHXFCSA-N 2 2 348.495 1.410 20 0 EDADLP CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998117602 705367073 /nfs/dbraw/zinc/36/70/73/705367073.db2.gz SCZHGGNNDYGEOS-HOTGVXAUSA-N 2 2 348.491 1.915 20 0 EDADLP CCN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998117602 705367076 /nfs/dbraw/zinc/36/70/76/705367076.db2.gz SCZHGGNNDYGEOS-HOTGVXAUSA-N 2 2 348.491 1.915 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)[nH]1 ZINC000998122512 705375130 /nfs/dbraw/zinc/37/51/30/705375130.db2.gz ZVBNQXLIBGGRNR-LBPRGKRZSA-N 2 2 345.451 1.222 20 0 EDADLP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000998139237 705405447 /nfs/dbraw/zinc/40/54/47/705405447.db2.gz QGLYYVCXDLZYHG-CYBMUJFWSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000998139237 705405451 /nfs/dbraw/zinc/40/54/51/705405451.db2.gz QGLYYVCXDLZYHG-CYBMUJFWSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)co1 ZINC000998221172 705546064 /nfs/dbraw/zinc/54/60/64/705546064.db2.gz CWGRSNWMNXPLMQ-UHFFFAOYSA-N 2 2 331.420 1.287 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998222803 705549000 /nfs/dbraw/zinc/54/90/00/705549000.db2.gz NKMSPQBRAJULPV-INIZCTEOSA-N 2 2 334.464 1.217 20 0 EDADLP COc1ccnc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000998296350 705698652 /nfs/dbraw/zinc/69/86/52/705698652.db2.gz FXKUDGNSSDZBIO-UHFFFAOYSA-N 2 2 343.431 1.315 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(F)cc2)C1 ZINC001032628342 705744618 /nfs/dbraw/zinc/74/46/18/705744618.db2.gz WQLVSQXEKOGLSY-JLSDUUJJSA-N 2 2 331.435 1.953 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(F)cc2)C1 ZINC001032628342 705744620 /nfs/dbraw/zinc/74/46/20/705744620.db2.gz WQLVSQXEKOGLSY-JLSDUUJJSA-N 2 2 331.435 1.953 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(F)cc2)C1 ZINC001032628342 705744623 /nfs/dbraw/zinc/74/46/23/705744623.db2.gz WQLVSQXEKOGLSY-JLSDUUJJSA-N 2 2 331.435 1.953 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(F)cc2)C1 ZINC001032628342 705744626 /nfs/dbraw/zinc/74/46/26/705744626.db2.gz WQLVSQXEKOGLSY-JLSDUUJJSA-N 2 2 331.435 1.953 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCO[C@@]23CCOC3)nc[nH+]1 ZINC000903115553 706092855 /nfs/dbraw/zinc/09/28/55/706092855.db2.gz DNMXIVXYYDINDS-CKEIUWERSA-N 2 2 333.436 1.025 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000998725717 706160735 /nfs/dbraw/zinc/16/07/35/706160735.db2.gz XOOOOXDHLASRSN-KGLIPLIRSA-N 2 2 348.495 1.277 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000998725717 706160737 /nfs/dbraw/zinc/16/07/37/706160737.db2.gz XOOOOXDHLASRSN-KGLIPLIRSA-N 2 2 348.495 1.277 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2csnn2)C1 ZINC000998902664 706339483 /nfs/dbraw/zinc/33/94/83/706339483.db2.gz WUGCDUAEFBPLMP-UXUKBGGZSA-N 2 2 346.460 1.391 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000998929563 706358072 /nfs/dbraw/zinc/35/80/72/706358072.db2.gz MKTMGPNLUZNZLF-QDIHITRGSA-N 2 2 325.416 1.687 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000999355368 706844909 /nfs/dbraw/zinc/84/49/09/706844909.db2.gz UVHFQYUGEYXMOW-HOTGVXAUSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000999355368 706844912 /nfs/dbraw/zinc/84/49/12/706844912.db2.gz UVHFQYUGEYXMOW-HOTGVXAUSA-N 2 2 349.479 1.722 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)o1 ZINC000999437979 706945181 /nfs/dbraw/zinc/94/51/81/706945181.db2.gz ZYTAUONIOPDQJU-CJNGLKHVSA-N 2 2 337.468 1.299 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999537819 707038808 /nfs/dbraw/zinc/03/88/08/707038808.db2.gz UVSPNZGOMWXWEM-DLBZAZTESA-N 2 2 339.443 1.621 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999606512 707119820 /nfs/dbraw/zinc/11/98/20/707119820.db2.gz UNCRLCHMOBMMKE-UHFFFAOYSA-N 2 2 328.416 1.224 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000999689305 707244371 /nfs/dbraw/zinc/24/43/71/707244371.db2.gz RHVURMMPVZTVRX-UHFFFAOYSA-N 2 2 347.850 1.790 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999707800 707298722 /nfs/dbraw/zinc/29/87/22/707298722.db2.gz OQJSRHURSVRVCP-OAHLLOKOSA-N 2 2 336.399 1.519 20 0 EDADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946736569 707303053 /nfs/dbraw/zinc/30/30/53/707303053.db2.gz ZMHGVBXINDQGIK-ZIFCJYIRSA-N 2 2 349.519 1.820 20 0 EDADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946736569 707303057 /nfs/dbraw/zinc/30/30/57/707303057.db2.gz ZMHGVBXINDQGIK-ZIFCJYIRSA-N 2 2 349.519 1.820 20 0 EDADLP CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946736569 707303062 /nfs/dbraw/zinc/30/30/62/707303062.db2.gz ZMHGVBXINDQGIK-ZIFCJYIRSA-N 2 2 349.519 1.820 20 0 EDADLP CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946736569 707303068 /nfs/dbraw/zinc/30/30/68/707303068.db2.gz ZMHGVBXINDQGIK-ZIFCJYIRSA-N 2 2 349.519 1.820 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999775206 707334465 /nfs/dbraw/zinc/33/44/65/707334465.db2.gz LJSRNXSZZJMEDE-OAHLLOKOSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2cnc(C)nc2)C1 ZINC000999752181 707353714 /nfs/dbraw/zinc/35/37/14/707353714.db2.gz DDTKQTSMFLFPSU-UHFFFAOYSA-N 2 2 328.420 1.138 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004829465 707368761 /nfs/dbraw/zinc/36/87/61/707368761.db2.gz DCIAXVNKPDFPHY-HOCLYGCPSA-N 2 2 344.463 1.635 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)sn1 ZINC000999839152 707411081 /nfs/dbraw/zinc/41/10/81/707411081.db2.gz ZAOBZFCOENUFSZ-ZDUSSCGKSA-N 2 2 349.460 1.519 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044819288 707599537 /nfs/dbraw/zinc/59/95/37/707599537.db2.gz JWANZEFXTHJCSN-GXTWGEPZSA-N 2 2 331.420 1.428 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033201390 707611901 /nfs/dbraw/zinc/61/19/01/707611901.db2.gz BROOZLAQLYOEAB-FUHWJXTLSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033201390 707611903 /nfs/dbraw/zinc/61/19/03/707611903.db2.gz BROOZLAQLYOEAB-FUHWJXTLSA-N 2 2 346.475 1.405 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733936 707742730 /nfs/dbraw/zinc/74/27/30/707742730.db2.gz NOTQMYOVDHHQAC-KBPBESRZSA-N 2 2 332.473 1.332 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733936 707742732 /nfs/dbraw/zinc/74/27/32/707742732.db2.gz NOTQMYOVDHHQAC-KBPBESRZSA-N 2 2 332.473 1.332 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001033415542 707791604 /nfs/dbraw/zinc/79/16/04/707791604.db2.gz JEXMOOYFXKIADE-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001033415542 707791606 /nfs/dbraw/zinc/79/16/06/707791606.db2.gz JEXMOOYFXKIADE-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001033415542 707791611 /nfs/dbraw/zinc/79/16/11/707791611.db2.gz JEXMOOYFXKIADE-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001033415542 707791614 /nfs/dbraw/zinc/79/16/14/707791614.db2.gz JEXMOOYFXKIADE-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)s1 ZINC001033415501 707791930 /nfs/dbraw/zinc/79/19/30/707791930.db2.gz IUWOVDDFSBCCRH-HIFRSBDPSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)s1 ZINC001033415501 707791935 /nfs/dbraw/zinc/79/19/35/707791935.db2.gz IUWOVDDFSBCCRH-HIFRSBDPSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)s1 ZINC001033415501 707791938 /nfs/dbraw/zinc/79/19/38/707791938.db2.gz IUWOVDDFSBCCRH-HIFRSBDPSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)s1 ZINC001033415501 707791941 /nfs/dbraw/zinc/79/19/41/707791941.db2.gz IUWOVDDFSBCCRH-HIFRSBDPSA-N 2 2 336.505 1.969 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)on1 ZINC001033417827 707801829 /nfs/dbraw/zinc/80/18/29/707801829.db2.gz AWDCJVQYESWSAJ-ZIAGYGMSSA-N 2 2 336.436 1.058 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)on1 ZINC001033417827 707801831 /nfs/dbraw/zinc/80/18/31/707801831.db2.gz AWDCJVQYESWSAJ-ZIAGYGMSSA-N 2 2 336.436 1.058 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)on1 ZINC001033417827 707801833 /nfs/dbraw/zinc/80/18/33/707801833.db2.gz AWDCJVQYESWSAJ-ZIAGYGMSSA-N 2 2 336.436 1.058 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)on1 ZINC001033417827 707801836 /nfs/dbraw/zinc/80/18/36/707801836.db2.gz AWDCJVQYESWSAJ-ZIAGYGMSSA-N 2 2 336.436 1.058 20 0 EDADLP C[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004974701 707805511 /nfs/dbraw/zinc/80/55/11/707805511.db2.gz IUPPSQHSYLZKPH-WMLDXEAASA-N 2 2 344.463 1.256 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnn(CCF)c2)nc[nH+]1 ZINC000921700052 707822701 /nfs/dbraw/zinc/82/27/01/707822701.db2.gz FPHHIQXYKZEFMM-AWEZNQCLSA-N 2 2 333.415 1.443 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984506 707831765 /nfs/dbraw/zinc/83/17/65/707831765.db2.gz WPXUVHQMIANWJA-XJKSGUPXSA-N 2 2 345.447 1.818 20 0 EDADLP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)cn1 ZINC001005009715 707927478 /nfs/dbraw/zinc/92/74/78/707927478.db2.gz NVXUFKGRWVISOX-WBVHZDCISA-N 2 2 342.447 1.541 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476323 707937172 /nfs/dbraw/zinc/93/71/72/707937172.db2.gz VRUBTZRCYBDKIQ-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476323 707937174 /nfs/dbraw/zinc/93/71/74/707937174.db2.gz VRUBTZRCYBDKIQ-INIZCTEOSA-N 2 2 334.464 1.748 20 0 EDADLP COCc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001000325092 707982852 /nfs/dbraw/zinc/98/28/52/707982852.db2.gz QURDZLKSOIUYFT-KRWDZBQOSA-N 2 2 342.443 1.879 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)cn1 ZINC001000698891 708060196 /nfs/dbraw/zinc/06/01/96/708060196.db2.gz WDEIOGFKJJRTOF-CQSZACIVSA-N 2 2 330.436 1.202 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)cc[nH+]1 ZINC001060982078 708085063 /nfs/dbraw/zinc/08/50/63/708085063.db2.gz BWEQUSYEOYKGBY-HNNXBMFYSA-N 2 2 331.464 1.777 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)cc[nH+]1 ZINC001060982078 708085064 /nfs/dbraw/zinc/08/50/64/708085064.db2.gz BWEQUSYEOYKGBY-HNNXBMFYSA-N 2 2 331.464 1.777 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005182616 708128946 /nfs/dbraw/zinc/12/89/46/708128946.db2.gz DZEZSUQXFWCUQS-SWLSCSKDSA-N 2 2 335.452 1.456 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001005182616 708128949 /nfs/dbraw/zinc/12/89/49/708128949.db2.gz DZEZSUQXFWCUQS-SWLSCSKDSA-N 2 2 335.452 1.456 20 0 EDADLP COc1cncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005183512 708133912 /nfs/dbraw/zinc/13/39/12/708133912.db2.gz IVYWCCBPIPFEAA-INIZCTEOSA-N 2 2 347.463 1.002 20 0 EDADLP COc1cncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001005183512 708133914 /nfs/dbraw/zinc/13/39/14/708133914.db2.gz IVYWCCBPIPFEAA-INIZCTEOSA-N 2 2 347.463 1.002 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1 ZINC001032814859 708147564 /nfs/dbraw/zinc/14/75/64/708147564.db2.gz NTVVVEHLQOYXTO-IRXDYDNUSA-N 2 2 332.448 1.375 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1 ZINC001032814859 708147566 /nfs/dbraw/zinc/14/75/66/708147566.db2.gz NTVVVEHLQOYXTO-IRXDYDNUSA-N 2 2 332.448 1.375 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016255980 708148090 /nfs/dbraw/zinc/14/80/90/708148090.db2.gz POWXYQCQWZRCMZ-QWHCGFSZSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016255980 708148093 /nfs/dbraw/zinc/14/80/93/708148093.db2.gz POWXYQCQWZRCMZ-QWHCGFSZSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016255980 708148097 /nfs/dbraw/zinc/14/80/97/708148097.db2.gz POWXYQCQWZRCMZ-QWHCGFSZSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016255980 708148098 /nfs/dbraw/zinc/14/80/98/708148098.db2.gz POWXYQCQWZRCMZ-QWHCGFSZSA-N 2 2 339.871 1.024 20 0 EDADLP Cc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005210516 708236622 /nfs/dbraw/zinc/23/66/22/708236622.db2.gz UCAWOXJBOHZKMW-SFHVURJKSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005210516 708236623 /nfs/dbraw/zinc/23/66/23/708236623.db2.gz UCAWOXJBOHZKMW-SFHVURJKSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033581067 708262561 /nfs/dbraw/zinc/26/25/61/708262561.db2.gz IIUOWCQVHCGZST-LSDHHAIUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033581067 708262562 /nfs/dbraw/zinc/26/25/62/708262562.db2.gz IIUOWCQVHCGZST-LSDHHAIUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033581067 708262566 /nfs/dbraw/zinc/26/25/66/708262566.db2.gz IIUOWCQVHCGZST-LSDHHAIUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033581067 708262569 /nfs/dbraw/zinc/26/25/69/708262569.db2.gz IIUOWCQVHCGZST-LSDHHAIUSA-N 2 2 336.505 1.826 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001033591321 708289170 /nfs/dbraw/zinc/28/91/70/708289170.db2.gz AHWFGHNGHBUHIK-LBPRGKRZSA-N 2 2 332.275 1.934 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001033591321 708289172 /nfs/dbraw/zinc/28/91/72/708289172.db2.gz AHWFGHNGHBUHIK-LBPRGKRZSA-N 2 2 332.275 1.934 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)NCC1CC[NH+](Cc2ccon2)CC1 ZINC001001766730 708290309 /nfs/dbraw/zinc/29/03/09/708290309.db2.gz CHCJRIJWYIKXRT-UHFFFAOYSA-N 2 2 346.431 1.971 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001033594212 708295379 /nfs/dbraw/zinc/29/53/79/708295379.db2.gz LEMOMMKFAFBXKD-INIZCTEOSA-N 2 2 342.443 1.704 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001033594212 708295382 /nfs/dbraw/zinc/29/53/82/708295382.db2.gz LEMOMMKFAFBXKD-INIZCTEOSA-N 2 2 342.443 1.704 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1C ZINC001033703972 708532628 /nfs/dbraw/zinc/53/26/28/708532628.db2.gz LBAWXFUMIGELGB-KRWDZBQOSA-N 2 2 342.443 1.933 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1C ZINC001033703972 708532630 /nfs/dbraw/zinc/53/26/30/708532630.db2.gz LBAWXFUMIGELGB-KRWDZBQOSA-N 2 2 342.443 1.933 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccon2)CC1 ZINC001002156092 708671007 /nfs/dbraw/zinc/67/10/07/708671007.db2.gz GKYNNPWZOOWNLG-QGZVFWFLSA-N 2 2 334.464 1.877 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccon2)CC1 ZINC001002156092 708671008 /nfs/dbraw/zinc/67/10/08/708671008.db2.gz GKYNNPWZOOWNLG-QGZVFWFLSA-N 2 2 334.464 1.877 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001033789605 708700489 /nfs/dbraw/zinc/70/04/89/708700489.db2.gz OKIBHXZSSGDWLV-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001033789605 708700491 /nfs/dbraw/zinc/70/04/91/708700491.db2.gz OKIBHXZSSGDWLV-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033789605 708700492 /nfs/dbraw/zinc/70/04/92/708700492.db2.gz OKIBHXZSSGDWLV-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cccnc2C)C1 ZINC001033789605 708700494 /nfs/dbraw/zinc/70/04/94/708700494.db2.gz OKIBHXZSSGDWLV-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033790798 708715901 /nfs/dbraw/zinc/71/59/01/708715901.db2.gz YSTDMWOGUDAOFJ-STQMWFEESA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033790798 708715903 /nfs/dbraw/zinc/71/59/03/708715903.db2.gz YSTDMWOGUDAOFJ-STQMWFEESA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCC(F)(F)F)C1 ZINC001033790798 708715906 /nfs/dbraw/zinc/71/59/06/708715906.db2.gz YSTDMWOGUDAOFJ-STQMWFEESA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCC(F)(F)F)C1 ZINC001033790798 708715908 /nfs/dbraw/zinc/71/59/08/708715908.db2.gz YSTDMWOGUDAOFJ-STQMWFEESA-N 2 2 337.386 1.192 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(OC)c3)C2)C1 ZINC001016307038 708975819 /nfs/dbraw/zinc/97/58/19/708975819.db2.gz RXBKWIVIHZUGJY-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(OC)c3)C2)C1 ZINC001016307038 708975822 /nfs/dbraw/zinc/97/58/22/708975822.db2.gz RXBKWIVIHZUGJY-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(OC)c3)C2)C1 ZINC001016307038 708975824 /nfs/dbraw/zinc/97/58/24/708975824.db2.gz RXBKWIVIHZUGJY-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(OC)c3)C2)C1 ZINC001016307038 708975827 /nfs/dbraw/zinc/97/58/27/708975827.db2.gz RXBKWIVIHZUGJY-SJLPKXTDSA-N 2 2 347.459 1.106 20 0 EDADLP CC(C)c1cnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001002472390 709005456 /nfs/dbraw/zinc/00/54/56/709005456.db2.gz AFRBUBKBBXSNQT-OAHLLOKOSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1cnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001002472390 709005460 /nfs/dbraw/zinc/00/54/60/709005460.db2.gz AFRBUBKBBXSNQT-OAHLLOKOSA-N 2 2 334.464 1.973 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC001002521212 709073176 /nfs/dbraw/zinc/07/31/76/709073176.db2.gz AADOBBPTZBUBBW-QGZVFWFLSA-N 2 2 335.423 1.237 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC001002521212 709073179 /nfs/dbraw/zinc/07/31/79/709073179.db2.gz AADOBBPTZBUBBW-QGZVFWFLSA-N 2 2 335.423 1.237 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002537475 709082990 /nfs/dbraw/zinc/08/29/90/709082990.db2.gz YLCWPRMONOGMNE-SFHVURJKSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002537475 709082994 /nfs/dbraw/zinc/08/29/94/709082994.db2.gz YLCWPRMONOGMNE-SFHVURJKSA-N 2 2 349.450 1.545 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001034014713 709230149 /nfs/dbraw/zinc/23/01/49/709230149.db2.gz CLBNRJAKBSAVRX-HIFRSBDPSA-N 2 2 347.463 1.458 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001034014713 709230151 /nfs/dbraw/zinc/23/01/51/709230151.db2.gz CLBNRJAKBSAVRX-HIFRSBDPSA-N 2 2 347.463 1.458 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001034018409 709235790 /nfs/dbraw/zinc/23/57/90/709235790.db2.gz YLNOIQGVYLHNQX-KRWDZBQOSA-N 2 2 345.491 1.422 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001034018409 709235791 /nfs/dbraw/zinc/23/57/91/709235791.db2.gz YLNOIQGVYLHNQX-KRWDZBQOSA-N 2 2 345.491 1.422 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001034040196 709273584 /nfs/dbraw/zinc/27/35/84/709273584.db2.gz PXCMKEFGVNSLQF-WBVHZDCISA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001034040196 709273587 /nfs/dbraw/zinc/27/35/87/709273587.db2.gz PXCMKEFGVNSLQF-WBVHZDCISA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2coc(C3CC3)n2)C1 ZINC001034040196 709273590 /nfs/dbraw/zinc/27/35/90/709273590.db2.gz PXCMKEFGVNSLQF-WBVHZDCISA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2coc(C3CC3)n2)C1 ZINC001034040196 709273591 /nfs/dbraw/zinc/27/35/91/709273591.db2.gz PXCMKEFGVNSLQF-WBVHZDCISA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001034042005 709292023 /nfs/dbraw/zinc/29/20/23/709292023.db2.gz KBKJQOAIXKQPHV-WBVHZDCISA-N 2 2 333.480 1.103 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001034042005 709292025 /nfs/dbraw/zinc/29/20/25/709292025.db2.gz KBKJQOAIXKQPHV-WBVHZDCISA-N 2 2 333.480 1.103 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001034042005 709292027 /nfs/dbraw/zinc/29/20/27/709292027.db2.gz KBKJQOAIXKQPHV-WBVHZDCISA-N 2 2 333.480 1.103 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001034042005 709292029 /nfs/dbraw/zinc/29/20/29/709292029.db2.gz KBKJQOAIXKQPHV-WBVHZDCISA-N 2 2 333.480 1.103 20 0 EDADLP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001034045567 709298212 /nfs/dbraw/zinc/29/82/12/709298212.db2.gz LFZWKFBEXTZDSN-QGZVFWFLSA-N 2 2 346.475 1.031 20 0 EDADLP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001034045567 709298214 /nfs/dbraw/zinc/29/82/14/709298214.db2.gz LFZWKFBEXTZDSN-QGZVFWFLSA-N 2 2 346.475 1.031 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)nn1C ZINC001034139015 709389300 /nfs/dbraw/zinc/38/93/00/709389300.db2.gz QSKAOYVXQHJRJR-NVXWUHKLSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)nn1C ZINC001034139015 709389301 /nfs/dbraw/zinc/38/93/01/709389301.db2.gz QSKAOYVXQHJRJR-NVXWUHKLSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1C ZINC001034139015 709389304 /nfs/dbraw/zinc/38/93/04/709389304.db2.gz QSKAOYVXQHJRJR-NVXWUHKLSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)nn1C ZINC001034139015 709389307 /nfs/dbraw/zinc/38/93/07/709389307.db2.gz QSKAOYVXQHJRJR-NVXWUHKLSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)ncn1 ZINC001034130622 709400557 /nfs/dbraw/zinc/40/05/57/709400557.db2.gz JIIJFRQCUOCWHE-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)ncn1 ZINC001034130622 709400559 /nfs/dbraw/zinc/40/05/59/709400559.db2.gz JIIJFRQCUOCWHE-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)ncn1 ZINC001034130622 709400561 /nfs/dbraw/zinc/40/05/61/709400561.db2.gz JIIJFRQCUOCWHE-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)ncn1 ZINC001034130622 709400563 /nfs/dbraw/zinc/40/05/63/709400563.db2.gz JIIJFRQCUOCWHE-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](CC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252357 709652738 /nfs/dbraw/zinc/65/27/38/709652738.db2.gz NYPOREMNGSIOJA-GVDBMIGSSA-N 2 2 346.475 1.911 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252357 709652739 /nfs/dbraw/zinc/65/27/39/709652739.db2.gz NYPOREMNGSIOJA-GVDBMIGSSA-N 2 2 346.475 1.911 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](CC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034252357 709652741 /nfs/dbraw/zinc/65/27/41/709652741.db2.gz NYPOREMNGSIOJA-GVDBMIGSSA-N 2 2 346.475 1.911 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034252357 709652746 /nfs/dbraw/zinc/65/27/46/709652746.db2.gz NYPOREMNGSIOJA-GVDBMIGSSA-N 2 2 346.475 1.911 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2coc(C)n2)C1 ZINC001034308388 709748242 /nfs/dbraw/zinc/74/82/42/709748242.db2.gz AWVAINBJSKAJOW-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2coc(C)n2)C1 ZINC001034308388 709748244 /nfs/dbraw/zinc/74/82/44/709748244.db2.gz AWVAINBJSKAJOW-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2coc(C)n2)C1 ZINC001034308389 709748399 /nfs/dbraw/zinc/74/83/99/709748399.db2.gz AWVAINBJSKAJOW-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2coc(C)n2)C1 ZINC001034308389 709748403 /nfs/dbraw/zinc/74/84/03/709748403.db2.gz AWVAINBJSKAJOW-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3nccn3C)C2)CC[N@@H+]1C ZINC001034364709 709884904 /nfs/dbraw/zinc/88/49/04/709884904.db2.gz VYLORZFPWJCJNU-YESZJQIVSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3nccn3C)C2)CC[N@H+]1C ZINC001034364709 709884909 /nfs/dbraw/zinc/88/49/09/709884909.db2.gz VYLORZFPWJCJNU-YESZJQIVSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3nccn3C)C2)CC[NH+]1C ZINC001034364709 709884912 /nfs/dbraw/zinc/88/49/12/709884912.db2.gz VYLORZFPWJCJNU-YESZJQIVSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccn3C)C2)CC[NH+]1C ZINC001034364709 709884917 /nfs/dbraw/zinc/88/49/17/709884917.db2.gz VYLORZFPWJCJNU-YESZJQIVSA-N 2 2 347.507 1.621 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001003179533 710095656 /nfs/dbraw/zinc/09/56/56/710095656.db2.gz IIPWFWAPZUSLJT-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470941 710103128 /nfs/dbraw/zinc/10/31/28/710103128.db2.gz YOLFVFWWVJXZST-RDJZCZTQSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470941 710103131 /nfs/dbraw/zinc/10/31/31/710103131.db2.gz YOLFVFWWVJXZST-RDJZCZTQSA-N 2 2 342.443 1.837 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCCO2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001003192791 710127504 /nfs/dbraw/zinc/12/75/04/710127504.db2.gz KCHGXGWVHWCRBN-MAUKXSAKSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003194753 710130067 /nfs/dbraw/zinc/13/00/67/710130067.db2.gz WBSCBFJVICMMKK-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC2CC[NH+](C/C=C\Cl)CC2)no1 ZINC001003221216 710140064 /nfs/dbraw/zinc/14/00/64/710140064.db2.gz LNSWRUHFXTWWJH-UTCJRWHESA-N 2 2 326.828 1.683 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003229745 710150555 /nfs/dbraw/zinc/15/05/55/710150555.db2.gz IKAZGHJRPZKXBE-QGZVFWFLSA-N 2 2 345.491 1.678 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003229745 710150557 /nfs/dbraw/zinc/15/05/57/710150557.db2.gz IKAZGHJRPZKXBE-QGZVFWFLSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H](c1ncccn1)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529419 710183703 /nfs/dbraw/zinc/18/37/03/710183703.db2.gz ZXRZHSDQRYKODI-HZPDHXFCSA-N 2 2 331.464 1.604 20 0 EDADLP C[C@H](c1ncccn1)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529419 710183706 /nfs/dbraw/zinc/18/37/06/710183706.db2.gz ZXRZHSDQRYKODI-HZPDHXFCSA-N 2 2 331.464 1.604 20 0 EDADLP CO[C@@H](C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)C1CCC1 ZINC001034546474 710220475 /nfs/dbraw/zinc/22/04/75/710220475.db2.gz FBDBXSPEZBBIQM-SJORKVTESA-N 2 2 334.464 1.669 20 0 EDADLP CO[C@@H](C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)C1CCC1 ZINC001034546474 710220477 /nfs/dbraw/zinc/22/04/77/710220477.db2.gz FBDBXSPEZBBIQM-SJORKVTESA-N 2 2 334.464 1.669 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC001003507742 710389045 /nfs/dbraw/zinc/38/90/45/710389045.db2.gz LZKWBDRMEASCHT-YDHLFZDLSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC001003507742 710389047 /nfs/dbraw/zinc/38/90/47/710389047.db2.gz LZKWBDRMEASCHT-YDHLFZDLSA-N 2 2 349.479 1.750 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCCO2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001003607667 710439437 /nfs/dbraw/zinc/43/94/37/710439437.db2.gz XZOBFKGVPYJHQR-CVEARBPZSA-N 2 2 346.475 1.979 20 0 EDADLP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001003604921 710445490 /nfs/dbraw/zinc/44/54/90/710445490.db2.gz BZFSNDYZPBYYKW-INIZCTEOSA-N 2 2 346.475 1.837 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC001003632397 710460944 /nfs/dbraw/zinc/46/09/44/710460944.db2.gz ZMTJBUXCSXFCGG-CYBMUJFWSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC001003632397 710460945 /nfs/dbraw/zinc/46/09/45/710460945.db2.gz ZMTJBUXCSXFCGG-CYBMUJFWSA-N 2 2 349.479 1.752 20 0 EDADLP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1)OC ZINC001003653375 710470503 /nfs/dbraw/zinc/47/05/03/710470503.db2.gz WWSNEDJEPHOODL-BZUAXINKSA-N 2 2 334.464 1.529 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1)C(N)=O ZINC001034671898 710616501 /nfs/dbraw/zinc/61/65/01/710616501.db2.gz ZDGUQONWQAMEQF-DRZSPHRISA-N 2 2 329.404 1.067 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001003900320 710882496 /nfs/dbraw/zinc/88/24/96/710882496.db2.gz CVJBFAPXGXCWDN-CQSZACIVSA-N 2 2 343.431 1.496 20 0 EDADLP COC(OC)[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000922313650 710931753 /nfs/dbraw/zinc/93/17/53/710931753.db2.gz PJZQDMJRUGATSM-HNNXBMFYSA-N 2 2 338.448 1.495 20 0 EDADLP COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001034761728 710996614 /nfs/dbraw/zinc/99/66/14/710996614.db2.gz SDWABPZEZBDKCH-HDJSIYSDSA-N 2 2 343.431 1.573 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001034762873 711001241 /nfs/dbraw/zinc/00/12/41/711001241.db2.gz CZNVUEBSRXYAEA-JOCQHMNTSA-N 2 2 333.461 1.668 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001034775602 711049202 /nfs/dbraw/zinc/04/92/02/711049202.db2.gz DROJILKIIGHXLE-WKILWMFISA-N 2 2 344.463 1.222 20 0 EDADLP CCc1noc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001034802330 711139952 /nfs/dbraw/zinc/13/99/52/711139952.db2.gz YAAFPJWTZYIBIH-MGPQQGTHSA-N 2 2 346.435 1.607 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001003977694 711150872 /nfs/dbraw/zinc/15/08/72/711150872.db2.gz WJJQDQVFQMPCJP-UHFFFAOYSA-N 2 2 342.443 1.622 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccc(Cl)nc2)CC1)C12CC[NH+](CC1)C2 ZINC001003979515 711159621 /nfs/dbraw/zinc/15/96/21/711159621.db2.gz NRZUDSOMKVPJQB-UHFFFAOYSA-N 2 2 348.878 1.911 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3coc(C4CC4)n3)CC2)C1 ZINC001003975387 711172004 /nfs/dbraw/zinc/17/20/04/711172004.db2.gz LTNVLTVCTNEVTD-AWEZNQCLSA-N 2 2 346.475 1.974 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3coc(C4CC4)n3)CC2)C1 ZINC001003975387 711172007 /nfs/dbraw/zinc/17/20/07/711172007.db2.gz LTNVLTVCTNEVTD-AWEZNQCLSA-N 2 2 346.475 1.974 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001034924312 711387395 /nfs/dbraw/zinc/38/73/95/711387395.db2.gz LXOITMRWFVCUTO-CQSZACIVSA-N 2 2 345.451 1.043 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922397362 711473037 /nfs/dbraw/zinc/47/30/37/711473037.db2.gz LCMQYPPVNKDHLZ-OAHLLOKOSA-N 2 2 347.463 1.272 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922397362 711473039 /nfs/dbraw/zinc/47/30/39/711473039.db2.gz LCMQYPPVNKDHLZ-OAHLLOKOSA-N 2 2 347.463 1.272 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000052523791 214132114 /nfs/dbraw/zinc/13/21/14/214132114.db2.gz IGETYGIPRWSCNK-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000052523791 214132117 /nfs/dbraw/zinc/13/21/17/214132117.db2.gz IGETYGIPRWSCNK-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP CC[C@@H](C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1)[NH+](CC)CC ZINC000558033539 306235167 /nfs/dbraw/zinc/23/51/67/306235167.db2.gz MXHHUEDTPMFWIT-HOCLYGCPSA-N 2 2 336.480 1.278 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000054509682 214242411 /nfs/dbraw/zinc/24/24/11/214242411.db2.gz PHMLWBSBECASBF-GOSISDBHSA-N 2 2 345.491 1.641 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000054509682 214242413 /nfs/dbraw/zinc/24/24/13/214242413.db2.gz PHMLWBSBECASBF-GOSISDBHSA-N 2 2 345.491 1.641 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1c(F)cccc1F ZINC000174879547 231332632 /nfs/dbraw/zinc/33/26/32/231332632.db2.gz FTVANNWDSOCNRB-KBPBESRZSA-N 2 2 327.375 1.014 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1c(F)cccc1F ZINC000174879547 231332636 /nfs/dbraw/zinc/33/26/36/231332636.db2.gz FTVANNWDSOCNRB-KBPBESRZSA-N 2 2 327.375 1.014 20 0 EDADLP CCC(CC)[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000352774514 282251990 /nfs/dbraw/zinc/25/19/90/282251990.db2.gz XSYKHCIIRHHVQN-HLLBOEOZSA-N 2 2 325.497 1.674 20 0 EDADLP CCC(CC)[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000352774514 282251996 /nfs/dbraw/zinc/25/19/96/282251996.db2.gz XSYKHCIIRHHVQN-HLLBOEOZSA-N 2 2 325.497 1.674 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000303028882 539355089 /nfs/dbraw/zinc/35/50/89/539355089.db2.gz SWGUVRGDTICWBH-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000303028882 539355095 /nfs/dbraw/zinc/35/50/95/539355095.db2.gz SWGUVRGDTICWBH-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2n2cncn2)C1 ZINC000559732320 306258113 /nfs/dbraw/zinc/25/81/13/306258113.db2.gz MGSZBWGPDMORRN-BRSBDYLESA-N 2 2 335.496 1.954 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2n2cncn2)C1 ZINC000559732320 306258114 /nfs/dbraw/zinc/25/81/14/306258114.db2.gz MGSZBWGPDMORRN-BRSBDYLESA-N 2 2 335.496 1.954 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179489577 530052583 /nfs/dbraw/zinc/05/25/83/530052583.db2.gz FPPJCKUAQASQDL-GOSISDBHSA-N 2 2 327.476 1.936 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179489577 530052584 /nfs/dbraw/zinc/05/25/84/530052584.db2.gz FPPJCKUAQASQDL-GOSISDBHSA-N 2 2 327.476 1.936 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCOc3cccc(F)c3)CC[C@@H]21 ZINC000158553310 530058833 /nfs/dbraw/zinc/05/88/33/530058833.db2.gz BEICXIMSBWPVCX-QAPCUYQASA-N 2 2 349.450 1.737 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCOc3cccc(F)c3)CC[C@@H]21 ZINC000158553310 530058834 /nfs/dbraw/zinc/05/88/34/530058834.db2.gz BEICXIMSBWPVCX-QAPCUYQASA-N 2 2 349.450 1.737 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCCOc3cccc(F)c3)CC[C@@H]21 ZINC000158553310 530058835 /nfs/dbraw/zinc/05/88/35/530058835.db2.gz BEICXIMSBWPVCX-QAPCUYQASA-N 2 2 349.450 1.737 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCCOc3cccc(F)c3)CC[C@@H]21 ZINC000158553310 530058836 /nfs/dbraw/zinc/05/88/36/530058836.db2.gz BEICXIMSBWPVCX-QAPCUYQASA-N 2 2 349.450 1.737 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354375659 282388788 /nfs/dbraw/zinc/38/87/88/282388788.db2.gz BYKZPAKYEXUODK-PKOBYXMFSA-N 2 2 349.519 1.820 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354375659 282388790 /nfs/dbraw/zinc/38/87/90/282388790.db2.gz BYKZPAKYEXUODK-PKOBYXMFSA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354375659 282388791 /nfs/dbraw/zinc/38/87/91/282388791.db2.gz BYKZPAKYEXUODK-PKOBYXMFSA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354375659 282388793 /nfs/dbraw/zinc/38/87/93/282388793.db2.gz BYKZPAKYEXUODK-PKOBYXMFSA-N 2 2 349.519 1.820 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000332854732 539607503 /nfs/dbraw/zinc/60/75/03/539607503.db2.gz DKJHHHFYYCAXGC-KBPBESRZSA-N 2 2 335.452 1.296 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000561207495 306284720 /nfs/dbraw/zinc/28/47/20/306284720.db2.gz HCYOIUUVDDGHFR-ZBFHGGJFSA-N 2 2 331.464 1.846 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCOCC1 ZINC000647076228 452045807 /nfs/dbraw/zinc/04/58/07/452045807.db2.gz CUYIVUOEIJGZKG-UONOGXRCSA-N 2 2 333.423 1.237 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000151316307 539749894 /nfs/dbraw/zinc/74/98/94/539749894.db2.gz HFGRYHPYGRIIST-ZWKOTPCHSA-N 2 2 344.459 1.374 20 0 EDADLP C[NH+]1CCN(c2cc(C(=O)N3CC[NH+](CC4CC4)CC3)ccn2)CC1 ZINC000104041932 219341321 /nfs/dbraw/zinc/34/13/21/219341321.db2.gz VCQNTZLNARGRQX-UHFFFAOYSA-N 2 2 343.475 1.001 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](O)C3(C)C)CC2)CC1 ZINC000562285564 306294530 /nfs/dbraw/zinc/29/45/30/306294530.db2.gz KLXVPYYYSKKSCF-MRXNPFEDSA-N 2 2 338.496 1.100 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000176150031 299174107 /nfs/dbraw/zinc/17/41/07/299174107.db2.gz GOKNXYRFWDCJNQ-JONQDZQNSA-N 2 2 326.485 1.268 20 0 EDADLP COc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181044143 234069720 /nfs/dbraw/zinc/06/97/20/234069720.db2.gz NTHBMXOBFHEQRD-RDJZCZTQSA-N 2 2 347.459 1.279 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000353409138 539933736 /nfs/dbraw/zinc/93/37/36/539933736.db2.gz HCXMUIRBKRQBDP-OAHLLOKOSA-N 2 2 334.464 1.374 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000653722071 452090994 /nfs/dbraw/zinc/09/09/94/452090994.db2.gz ARZZFBBXQUBNPG-CVEARBPZSA-N 2 2 330.856 1.244 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000653722071 452090998 /nfs/dbraw/zinc/09/09/98/452090998.db2.gz ARZZFBBXQUBNPG-CVEARBPZSA-N 2 2 330.856 1.244 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000563160892 306320924 /nfs/dbraw/zinc/32/09/24/306320924.db2.gz PWNZWMOEVQEPLS-MRXNPFEDSA-N 2 2 333.480 1.362 20 0 EDADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229846 291038075 /nfs/dbraw/zinc/03/80/75/291038075.db2.gz PSQYJSDAKILUMH-MRXNPFEDSA-N 2 2 339.480 1.254 20 0 EDADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229846 291038078 /nfs/dbraw/zinc/03/80/78/291038078.db2.gz PSQYJSDAKILUMH-MRXNPFEDSA-N 2 2 339.480 1.254 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)[C@@H]1c1ccccc1 ZINC000340142872 283050742 /nfs/dbraw/zinc/05/07/42/283050742.db2.gz AJUKCEJMYVHILX-XDNAFOTISA-N 2 2 344.459 1.156 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)[C@@H]1c1ccccc1 ZINC000340142872 283050743 /nfs/dbraw/zinc/05/07/43/283050743.db2.gz AJUKCEJMYVHILX-XDNAFOTISA-N 2 2 344.459 1.156 20 0 EDADLP C[NH+]1CC[C@@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)[C@@H]1c1ccccc1 ZINC000340142872 283050749 /nfs/dbraw/zinc/05/07/49/283050749.db2.gz AJUKCEJMYVHILX-XDNAFOTISA-N 2 2 344.459 1.156 20 0 EDADLP C[NH+]1CC[C@@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)[C@@H]1c1ccccc1 ZINC000340142872 283050752 /nfs/dbraw/zinc/05/07/52/283050752.db2.gz AJUKCEJMYVHILX-XDNAFOTISA-N 2 2 344.459 1.156 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000163268078 540052309 /nfs/dbraw/zinc/05/23/09/540052309.db2.gz SFGYJGGFGCJCAJ-RHSMWYFYSA-N 2 2 330.436 1.424 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000163268078 540052312 /nfs/dbraw/zinc/05/23/12/540052312.db2.gz SFGYJGGFGCJCAJ-RHSMWYFYSA-N 2 2 330.436 1.424 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000276546301 540061979 /nfs/dbraw/zinc/06/19/79/540061979.db2.gz GYCXJDAMUYYQOX-KRWDZBQOSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000276546301 540061981 /nfs/dbraw/zinc/06/19/81/540061981.db2.gz GYCXJDAMUYYQOX-KRWDZBQOSA-N 2 2 328.416 1.225 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166100289 540074900 /nfs/dbraw/zinc/07/49/00/540074900.db2.gz ZMPNDIIEKVMSMJ-ZWKOTPCHSA-N 3 2 329.492 1.550 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166100289 540074903 /nfs/dbraw/zinc/07/49/03/540074903.db2.gz ZMPNDIIEKVMSMJ-ZWKOTPCHSA-N 3 2 329.492 1.550 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ncc[nH]1 ZINC000285824889 540081148 /nfs/dbraw/zinc/08/11/48/540081148.db2.gz WOXJPBIAQIRSCL-AWEZNQCLSA-N 2 2 327.432 1.648 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H](c3ccco3)[NH+](C)C)nc[nH+]2)C1 ZINC000413023917 304049996 /nfs/dbraw/zinc/04/99/96/304049996.db2.gz LDSOTAUJUAFRNY-ZNMIVQPWSA-N 2 2 345.447 1.992 20 0 EDADLP CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000563453471 306334264 /nfs/dbraw/zinc/33/42/64/306334264.db2.gz GXCIKWHVFFKYTN-OAHLLOKOSA-N 2 2 341.415 1.899 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCCCC[NH+]3CCOCC3)nc[nH+]2)C1 ZINC000413061407 304054668 /nfs/dbraw/zinc/05/46/68/304054668.db2.gz PIHYAGXFSLYVNO-JKSUJKDBSA-N 2 2 349.479 1.208 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCCCC[NH+]3CCOCC3)[nH+]cn2)C1 ZINC000413061407 304054670 /nfs/dbraw/zinc/05/46/70/304054670.db2.gz PIHYAGXFSLYVNO-JKSUJKDBSA-N 2 2 349.479 1.208 20 0 EDADLP CCCCO[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050796846 138132931 /nfs/dbraw/zinc/13/29/31/138132931.db2.gz IOYBTUAYBUFRAU-OAHLLOKOSA-N 2 2 325.497 1.866 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccccc3)CC2)CC1 ZINC000050802095 138132978 /nfs/dbraw/zinc/13/29/78/138132978.db2.gz BFHXZEDTDLCJLG-UHFFFAOYSA-N 2 2 331.460 1.740 20 0 EDADLP CCS(=O)(=O)NCC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000068820446 138196123 /nfs/dbraw/zinc/19/61/23/138196123.db2.gz VJFONMIPTBOVPF-UHFFFAOYSA-N 2 2 345.553 1.901 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000068820446 138196127 /nfs/dbraw/zinc/19/61/27/138196127.db2.gz VJFONMIPTBOVPF-UHFFFAOYSA-N 2 2 345.553 1.901 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1nc(C(C)(C)C)cs1 ZINC000563570666 306339372 /nfs/dbraw/zinc/33/93/72/306339372.db2.gz TUTZLSNKLCEGJD-NWDGAFQWSA-N 2 2 339.509 1.786 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1nc(C(C)(C)C)cs1 ZINC000563570666 306339373 /nfs/dbraw/zinc/33/93/73/306339373.db2.gz TUTZLSNKLCEGJD-NWDGAFQWSA-N 2 2 339.509 1.786 20 0 EDADLP CCCN(CCC)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755680 138306101 /nfs/dbraw/zinc/30/61/01/138306101.db2.gz DZBKLCIIRIIPDV-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP CCCN(CCC)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109755680 138306102 /nfs/dbraw/zinc/30/61/02/138306102.db2.gz DZBKLCIIRIIPDV-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000123756369 138320939 /nfs/dbraw/zinc/32/09/39/138320939.db2.gz ZXSQURKHRRZDAE-KRWDZBQOSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000123756369 138320940 /nfs/dbraw/zinc/32/09/40/138320940.db2.gz ZXSQURKHRRZDAE-KRWDZBQOSA-N 2 2 326.444 1.991 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+](Cc3c(C)nn(C)c3OC)CC2)CC1 ZINC000124477175 138327001 /nfs/dbraw/zinc/32/70/01/138327001.db2.gz SVUIMDYWMXIIMO-UHFFFAOYSA-N 2 2 349.523 1.729 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@]2(C)CCOC2)([NH+]2CCCCC2)CC1 ZINC000125458314 138334043 /nfs/dbraw/zinc/33/40/43/138334043.db2.gz JHJJXTNSFFFVTM-QGZVFWFLSA-N 2 2 338.496 1.415 20 0 EDADLP COc1ccc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000563809478 306347919 /nfs/dbraw/zinc/34/79/19/306347919.db2.gz AQWKFFVNMKUTSR-CYBMUJFWSA-N 2 2 325.840 1.383 20 0 EDADLP C[NH+](C)C1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000563832463 306349213 /nfs/dbraw/zinc/34/92/13/306349213.db2.gz IJPNJSQOFJDYKD-FHERZECASA-N 2 2 333.480 1.970 20 0 EDADLP C[NH+](C)C1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000563832463 306349214 /nfs/dbraw/zinc/34/92/14/306349214.db2.gz IJPNJSQOFJDYKD-FHERZECASA-N 2 2 333.480 1.970 20 0 EDADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000563854478 306349916 /nfs/dbraw/zinc/34/99/16/306349916.db2.gz LCXRKAQFBYCZHV-BZUAXINKSA-N 2 2 332.448 1.205 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000376264044 291129020 /nfs/dbraw/zinc/12/90/20/291129020.db2.gz FCARDHNKKKWHMR-HOCLYGCPSA-N 2 2 347.463 1.152 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000364661426 283342490 /nfs/dbraw/zinc/34/24/90/283342490.db2.gz RTSHRZRZIGFJCO-OWLYRPNTSA-N 2 2 331.435 1.638 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000364661426 283342495 /nfs/dbraw/zinc/34/24/95/283342495.db2.gz RTSHRZRZIGFJCO-OWLYRPNTSA-N 2 2 331.435 1.638 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000364661426 283342497 /nfs/dbraw/zinc/34/24/97/283342497.db2.gz RTSHRZRZIGFJCO-OWLYRPNTSA-N 2 2 331.435 1.638 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000364661426 283342501 /nfs/dbraw/zinc/34/25/01/283342501.db2.gz RTSHRZRZIGFJCO-OWLYRPNTSA-N 2 2 331.435 1.638 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000129465359 223059017 /nfs/dbraw/zinc/05/90/17/223059017.db2.gz FDGLSAWKMAILIZ-INIZCTEOSA-N 2 2 331.464 1.775 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000352060788 283548558 /nfs/dbraw/zinc/54/85/58/283548558.db2.gz VJLNHMHFUQZRKA-DLBZAZTESA-N 2 2 325.497 1.866 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565205358 306378215 /nfs/dbraw/zinc/37/82/15/306378215.db2.gz BPOJQECBAMOFLQ-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565205358 306378216 /nfs/dbraw/zinc/37/82/16/306378216.db2.gz BPOJQECBAMOFLQ-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000565216481 306378914 /nfs/dbraw/zinc/37/89/14/306378914.db2.gz WWOCOACFXDUTLS-SFHVURJKSA-N 2 2 342.443 1.717 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495616034 299320174 /nfs/dbraw/zinc/32/01/74/299320174.db2.gz KHZJJDIJNUVMLC-ZFWWWQNUSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495616034 299320176 /nfs/dbraw/zinc/32/01/76/299320176.db2.gz KHZJJDIJNUVMLC-ZFWWWQNUSA-N 2 2 326.485 1.077 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000565420742 306383594 /nfs/dbraw/zinc/38/35/94/306383594.db2.gz OLPXUDRFTSJOCA-IIDMSEBBSA-N 2 2 347.459 1.324 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000072726300 216299853 /nfs/dbraw/zinc/29/98/53/216299853.db2.gz WCASEYPIRFINOW-UHFFFAOYSA-N 2 2 331.460 1.872 20 0 EDADLP C[NH+]1CCN(Cc2cccc(C(=O)NCCCn3cc[nH+]c3)c2)CC1 ZINC000072793485 216306343 /nfs/dbraw/zinc/30/63/43/216306343.db2.gz IEKFCSIAXDMDPT-UHFFFAOYSA-N 2 2 341.459 1.451 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000109949785 220005439 /nfs/dbraw/zinc/00/54/39/220005439.db2.gz AEALEZWKIXCONC-CVEARBPZSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000109949785 220005442 /nfs/dbraw/zinc/00/54/42/220005442.db2.gz AEALEZWKIXCONC-CVEARBPZSA-N 2 2 331.460 1.270 20 0 EDADLP O=C(COc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1)N1CCCC1 ZINC000415048178 304154199 /nfs/dbraw/zinc/15/41/99/304154199.db2.gz WXDGGIMTFQMQJP-KRWDZBQOSA-N 2 2 347.459 1.156 20 0 EDADLP C1=CO[C@H](C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000193986239 138983163 /nfs/dbraw/zinc/98/31/63/138983163.db2.gz ATJMGDWKRAXGCF-INIZCTEOSA-N 2 2 345.447 1.128 20 0 EDADLP COc1cc(Br)c(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1OC ZINC000415096453 304159516 /nfs/dbraw/zinc/15/95/16/304159516.db2.gz PZPVSKNINBMPOD-LLVKDONJSA-N 2 2 345.237 1.544 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CSC[NH2+]1 ZINC000195173407 139008728 /nfs/dbraw/zinc/00/87/28/139008728.db2.gz DVQVBPLFUPUWFH-HNNXBMFYSA-N 2 2 341.427 1.708 20 0 EDADLP [NH3+]CC1(O)CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000415144792 304164149 /nfs/dbraw/zinc/16/41/49/304164149.db2.gz VFSCEQRQQLWBEX-UHFFFAOYSA-N 2 2 339.237 1.382 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415152711 304166268 /nfs/dbraw/zinc/16/62/68/304166268.db2.gz HSQDQFQMIKDZSK-KGLIPLIRSA-N 2 2 329.404 1.916 20 0 EDADLP COCC[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000237163066 139042707 /nfs/dbraw/zinc/04/27/07/139042707.db2.gz HVWJNYFOLNXCNI-HNNXBMFYSA-N 2 2 335.448 1.136 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000496236468 284341118 /nfs/dbraw/zinc/34/11/18/284341118.db2.gz WIWJIYKTFOOWDM-IAGOWNOFSA-N 2 2 341.496 1.776 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000496236468 284341119 /nfs/dbraw/zinc/34/11/19/284341119.db2.gz WIWJIYKTFOOWDM-IAGOWNOFSA-N 2 2 341.496 1.776 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000496236468 284341120 /nfs/dbraw/zinc/34/11/20/284341120.db2.gz WIWJIYKTFOOWDM-IAGOWNOFSA-N 2 2 341.496 1.776 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000496236468 284341121 /nfs/dbraw/zinc/34/11/21/284341121.db2.gz WIWJIYKTFOOWDM-IAGOWNOFSA-N 2 2 341.496 1.776 20 0 EDADLP C[NH2+]CCN(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000237359168 139049102 /nfs/dbraw/zinc/04/91/02/139049102.db2.gz FKNOYOAZLGJPMM-UHFFFAOYSA-N 2 2 329.404 1.203 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237364304 139049280 /nfs/dbraw/zinc/04/92/80/139049280.db2.gz IGCSHBVCEJXECS-WMLDXEAASA-N 2 2 348.491 1.961 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000111229486 220118075 /nfs/dbraw/zinc/11/80/75/220118075.db2.gz KYKLOQQEGVUHAP-GDBMZVCRSA-N 2 2 342.447 1.621 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000111229486 220118077 /nfs/dbraw/zinc/11/80/77/220118077.db2.gz KYKLOQQEGVUHAP-GDBMZVCRSA-N 2 2 342.447 1.621 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@H]1CCn2cc[nH+]c2C1 ZINC000567455000 306452468 /nfs/dbraw/zinc/45/24/68/306452468.db2.gz KXNDUWROBBODIL-HOCLYGCPSA-N 2 2 325.416 1.384 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000111241636 220121229 /nfs/dbraw/zinc/12/12/29/220121229.db2.gz YFKYMJAWKUCEAX-AWEZNQCLSA-N 2 2 349.479 1.569 20 0 EDADLP C[C@H](CNC(=O)c1csc(C[NH3+])n1)[N@@H+]1CCc2ccccc2C1 ZINC000237495432 139052559 /nfs/dbraw/zinc/05/25/59/139052559.db2.gz ZUTUYEVBLGMQOV-GFCCVEGCSA-N 2 2 330.457 1.778 20 0 EDADLP Cn1c[nH+]cc1C[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000111403007 220151477 /nfs/dbraw/zinc/15/14/77/220151477.db2.gz KRXIBOFOFLABPR-UHFFFAOYSA-N 2 2 347.850 1.512 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CSC[NH2+]3)c2)CCO1 ZINC000237637492 139056615 /nfs/dbraw/zinc/05/66/15/139056615.db2.gz FDCSXEUCQDSZJH-XJKSGUPXSA-N 2 2 335.473 1.186 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CSC[NH2+]3)c2)CCO1 ZINC000237637492 139056616 /nfs/dbraw/zinc/05/66/16/139056616.db2.gz FDCSXEUCQDSZJH-XJKSGUPXSA-N 2 2 335.473 1.186 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237617156 139055852 /nfs/dbraw/zinc/05/58/52/139055852.db2.gz CRKRVFNIOQYWTD-PMPSAXMXSA-N 2 2 348.466 1.545 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2csc(C[NH3+])n2)C[C@H](C)O1 ZINC000237656711 139057071 /nfs/dbraw/zinc/05/70/71/139057071.db2.gz KLNLPNIPSSQLAY-PHIMTYICSA-N 2 2 326.466 1.219 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2csc(C[NH3+])n2)C[C@H](C)O1 ZINC000237656711 139057072 /nfs/dbraw/zinc/05/70/72/139057072.db2.gz KLNLPNIPSSQLAY-PHIMTYICSA-N 2 2 326.466 1.219 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3cccc(C)c3)C2)CC1 ZINC000111690983 220180329 /nfs/dbraw/zinc/18/03/29/220180329.db2.gz KTUDPYOGJVYIAP-LJQANCHMSA-N 2 2 344.503 1.323 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3cccc(C)c3)C2)CC1 ZINC000111690983 220180332 /nfs/dbraw/zinc/18/03/32/220180332.db2.gz KTUDPYOGJVYIAP-LJQANCHMSA-N 2 2 344.503 1.323 20 0 EDADLP Cn1cc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c(=O)n(C)c1=O ZINC000237927413 139064117 /nfs/dbraw/zinc/06/41/17/139064117.db2.gz SITHNZYSPCALLJ-KRWDZBQOSA-N 2 2 342.443 1.011 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238087721 139068626 /nfs/dbraw/zinc/06/86/26/139068626.db2.gz IYCTYIROBKTJMB-PMPSAXMXSA-N 2 2 325.416 1.804 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000111919919 220224972 /nfs/dbraw/zinc/22/49/72/220224972.db2.gz PAFRVCPPOPOLHX-UHFFFAOYSA-N 2 2 348.447 1.801 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000245468264 139076161 /nfs/dbraw/zinc/07/61/61/139076161.db2.gz SXMFBQNGWNGNMN-HZPDHXFCSA-N 2 2 339.867 1.780 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000245468264 139076162 /nfs/dbraw/zinc/07/61/62/139076162.db2.gz SXMFBQNGWNGNMN-HZPDHXFCSA-N 2 2 339.867 1.780 20 0 EDADLP CC[NH+]1CCN(CCNc2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000112074017 220239936 /nfs/dbraw/zinc/23/99/36/220239936.db2.gz GPESYPJTYQEQSF-UHFFFAOYSA-N 2 2 326.448 1.896 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246324877 139104155 /nfs/dbraw/zinc/10/41/55/139104155.db2.gz GBVSMBQEJGWXDS-HLLBOEOZSA-N 2 2 331.460 1.898 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246324877 139104156 /nfs/dbraw/zinc/10/41/56/139104156.db2.gz GBVSMBQEJGWXDS-HLLBOEOZSA-N 2 2 331.460 1.898 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246621382 139115492 /nfs/dbraw/zinc/11/54/92/139115492.db2.gz HGGYXJJZQHEVCL-RDJZCZTQSA-N 2 2 349.450 1.485 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246621382 139115493 /nfs/dbraw/zinc/11/54/93/139115493.db2.gz HGGYXJJZQHEVCL-RDJZCZTQSA-N 2 2 349.450 1.485 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246863527 139124572 /nfs/dbraw/zinc/12/45/72/139124572.db2.gz LEAAMGGDEFZTHZ-YJBOKZPZSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246863527 139124573 /nfs/dbraw/zinc/12/45/73/139124573.db2.gz LEAAMGGDEFZTHZ-YJBOKZPZSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246863527 139124574 /nfs/dbraw/zinc/12/45/74/139124574.db2.gz LEAAMGGDEFZTHZ-YJBOKZPZSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246863527 139124575 /nfs/dbraw/zinc/12/45/75/139124575.db2.gz LEAAMGGDEFZTHZ-YJBOKZPZSA-N 2 2 344.459 2.000 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246944991 139127987 /nfs/dbraw/zinc/12/79/87/139127987.db2.gz HUCXROWULAHSMM-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000247056903 139133597 /nfs/dbraw/zinc/13/35/97/139133597.db2.gz YVFRGBMXFDAJHK-GOEBONIOSA-N 2 2 330.432 1.180 20 0 EDADLP CC[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000247056903 139133598 /nfs/dbraw/zinc/13/35/98/139133598.db2.gz YVFRGBMXFDAJHK-GOEBONIOSA-N 2 2 330.432 1.180 20 0 EDADLP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266010960 248027026 /nfs/dbraw/zinc/02/70/26/248027026.db2.gz LWRDYZMQULUYHU-RDJZCZTQSA-N 2 2 338.423 1.220 20 0 EDADLP O[C@H](COc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266010960 248027027 /nfs/dbraw/zinc/02/70/27/248027027.db2.gz LWRDYZMQULUYHU-RDJZCZTQSA-N 2 2 338.423 1.220 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247192808 139139634 /nfs/dbraw/zinc/13/96/34/139139634.db2.gz VMXGMFOPFWZIHQ-HUUCEWRRSA-N 2 2 338.496 1.950 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247192808 139139635 /nfs/dbraw/zinc/13/96/35/139139635.db2.gz VMXGMFOPFWZIHQ-HUUCEWRRSA-N 2 2 338.496 1.950 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247281999 139143592 /nfs/dbraw/zinc/14/35/92/139143592.db2.gz SVYGKQNKGAEFPP-DOTOQJQBSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247281999 139143593 /nfs/dbraw/zinc/14/35/93/139143593.db2.gz SVYGKQNKGAEFPP-DOTOQJQBSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247281999 139143594 /nfs/dbraw/zinc/14/35/94/139143594.db2.gz SVYGKQNKGAEFPP-DOTOQJQBSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247281999 139143595 /nfs/dbraw/zinc/14/35/95/139143595.db2.gz SVYGKQNKGAEFPP-DOTOQJQBSA-N 2 2 345.443 1.828 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247786755 139155067 /nfs/dbraw/zinc/15/50/67/139155067.db2.gz YMZCOSRKAQAXFO-FUHWJXTLSA-N 2 2 342.443 1.961 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247786755 139155068 /nfs/dbraw/zinc/15/50/68/139155068.db2.gz YMZCOSRKAQAXFO-FUHWJXTLSA-N 2 2 342.443 1.961 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248214855 139159595 /nfs/dbraw/zinc/15/95/95/139159595.db2.gz ZKUCHNPCUYAGGP-BPQIPLTHSA-N 2 2 333.476 1.326 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248214855 139159596 /nfs/dbraw/zinc/15/95/96/139159596.db2.gz ZKUCHNPCUYAGGP-BPQIPLTHSA-N 2 2 333.476 1.326 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C)C[NH2+]C)CCCC2)no1 ZINC000236933941 284738544 /nfs/dbraw/zinc/73/85/44/284738544.db2.gz XCVQFRMEBMIKSG-ZDUSSCGKSA-N 2 2 337.468 1.652 20 0 EDADLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093665214 218239689 /nfs/dbraw/zinc/23/96/89/218239689.db2.gz GUFUJZDTBHOKRD-MRXNPFEDSA-N 2 2 341.459 1.636 20 0 EDADLP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093665214 218239692 /nfs/dbraw/zinc/23/96/92/218239692.db2.gz GUFUJZDTBHOKRD-MRXNPFEDSA-N 2 2 341.459 1.636 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000252652711 139204833 /nfs/dbraw/zinc/20/48/33/139204833.db2.gz FDONYLPPAHHUAK-OIISXLGYSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000252652711 139204834 /nfs/dbraw/zinc/20/48/34/139204834.db2.gz FDONYLPPAHHUAK-OIISXLGYSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000252652711 139204835 /nfs/dbraw/zinc/20/48/35/139204835.db2.gz FDONYLPPAHHUAK-OIISXLGYSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000252652711 139204836 /nfs/dbraw/zinc/20/48/36/139204836.db2.gz FDONYLPPAHHUAK-OIISXLGYSA-N 2 2 344.459 1.556 20 0 EDADLP COc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000261780182 139225418 /nfs/dbraw/zinc/22/54/18/139225418.db2.gz PZYHSFJVSNQJGR-UHFFFAOYSA-N 2 2 327.432 1.770 20 0 EDADLP [NH3+]CC1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000261790325 139226328 /nfs/dbraw/zinc/22/63/28/139226328.db2.gz YVJGRCBYMSAHOA-UHFFFAOYSA-N 2 2 333.432 1.213 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261798351 139227000 /nfs/dbraw/zinc/22/70/00/139227000.db2.gz VRZXPSRCPDYROL-KPZWWZAWSA-N 2 2 348.447 1.651 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261798351 139227001 /nfs/dbraw/zinc/22/70/01/139227001.db2.gz VRZXPSRCPDYROL-KPZWWZAWSA-N 2 2 348.447 1.651 20 0 EDADLP O=C(c1cc2ccccc2[nH]1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261928328 139237835 /nfs/dbraw/zinc/23/78/35/139237835.db2.gz LEQNEGLAYFYQTJ-HNNXBMFYSA-N 2 2 326.444 1.925 20 0 EDADLP Cc1cccc(NC(=O)CN2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1C ZINC000261940000 139238801 /nfs/dbraw/zinc/23/88/01/139238801.db2.gz DOLGXILTCPCAPI-FQEVSTJZSA-N 2 2 344.503 1.859 20 0 EDADLP Brc1cnn(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000569211590 306499605 /nfs/dbraw/zinc/49/96/05/306499605.db2.gz XMDZJZKJJWDLQJ-QWHCGFSZSA-N 2 2 329.242 1.002 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000262000046 139242874 /nfs/dbraw/zinc/24/28/74/139242874.db2.gz ZRLDUDWHXLNSEX-NVXWUHKLSA-N 2 2 328.460 1.677 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262001327 139242999 /nfs/dbraw/zinc/24/29/99/139242999.db2.gz LJYLREVYWMNKEQ-AOIWGVFYSA-N 2 2 336.524 1.299 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262001327 139243000 /nfs/dbraw/zinc/24/30/00/139243000.db2.gz LJYLREVYWMNKEQ-AOIWGVFYSA-N 2 2 336.524 1.299 20 0 EDADLP COc1cc(Br)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(OC)c1 ZINC000262129465 139253461 /nfs/dbraw/zinc/25/34/61/139253461.db2.gz NSEGFCSHKDTYQL-NOZJJQNGSA-N 2 2 345.237 1.136 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000262156577 139255908 /nfs/dbraw/zinc/25/59/08/139255908.db2.gz RZFJDUFOAFSVJY-QGZVFWFLSA-N 2 2 340.427 1.738 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000262156577 139255909 /nfs/dbraw/zinc/25/59/09/139255909.db2.gz RZFJDUFOAFSVJY-QGZVFWFLSA-N 2 2 340.427 1.738 20 0 EDADLP O=C(CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1)N1CC[NH2+]CC1 ZINC000262176044 139257494 /nfs/dbraw/zinc/25/74/94/139257494.db2.gz QRDMIDIROWKWKK-UHFFFAOYSA-N 2 2 327.432 1.234 20 0 EDADLP O=C(CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1)N1CC[NH2+]CC1 ZINC000262176044 139257495 /nfs/dbraw/zinc/25/74/95/139257495.db2.gz QRDMIDIROWKWKK-UHFFFAOYSA-N 2 2 327.432 1.234 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)cc1 ZINC000416019272 251047795 /nfs/dbraw/zinc/04/77/95/251047795.db2.gz XLHAQMJBJINADA-GOSISDBHSA-N 2 2 346.475 1.981 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000416019272 251047799 /nfs/dbraw/zinc/04/77/99/251047799.db2.gz XLHAQMJBJINADA-GOSISDBHSA-N 2 2 346.475 1.981 20 0 EDADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262238850 139262688 /nfs/dbraw/zinc/26/26/88/139262688.db2.gz KTYJOZNOIPDWAL-UHFFFAOYSA-N 2 2 336.399 1.991 20 0 EDADLP [NH3+]CCCNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000416997517 251123171 /nfs/dbraw/zinc/12/31/71/251123171.db2.gz OEUMTEJWOPYMNE-UHFFFAOYSA-N 2 2 339.443 1.792 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[NH2+]1 ZINC000416998322 251125047 /nfs/dbraw/zinc/12/50/47/251125047.db2.gz RYVSGKWTDAOETI-PBHICJAKSA-N 2 2 327.432 1.871 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000417001321 251125121 /nfs/dbraw/zinc/12/51/21/251125121.db2.gz SYZDTATVJVEVOA-INMHGKMJSA-N 2 2 334.464 1.403 20 0 EDADLP O=C(NCCC[C@H]1CCC[NH2+]1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000417086966 251140705 /nfs/dbraw/zinc/14/07/05/251140705.db2.gz ZAPUTWOLWSFTPT-OAHLLOKOSA-N 2 2 331.464 1.882 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000417272182 251152757 /nfs/dbraw/zinc/15/27/57/251152757.db2.gz SWMGYZVUBCYUIF-IUODEOHRSA-N 2 2 331.395 1.809 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417580944 251196524 /nfs/dbraw/zinc/19/65/24/251196524.db2.gz FIYNYLPVLGIAAF-RYUDHWBXSA-N 2 2 326.391 1.576 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417580944 251196528 /nfs/dbraw/zinc/19/65/28/251196528.db2.gz FIYNYLPVLGIAAF-RYUDHWBXSA-N 2 2 326.391 1.576 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417587023 251197542 /nfs/dbraw/zinc/19/75/42/251197542.db2.gz ROUGHTXHWDRIKQ-QWHCGFSZSA-N 2 2 340.418 1.966 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417587023 251197546 /nfs/dbraw/zinc/19/75/46/251197546.db2.gz ROUGHTXHWDRIKQ-QWHCGFSZSA-N 2 2 340.418 1.966 20 0 EDADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262388315 139275411 /nfs/dbraw/zinc/27/54/11/139275411.db2.gz MKZAWBJFISSBJT-IOASZLSFSA-N 2 2 337.851 1.268 20 0 EDADLP O=C(C[C@@H]1COCC[NH2+]1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000262409650 139277065 /nfs/dbraw/zinc/27/70/65/139277065.db2.gz QNAZKVPMCKWSNI-CQSZACIVSA-N 2 2 330.388 1.279 20 0 EDADLP CO[C@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)[C@H](C[NH3+])C1 ZINC000417695067 251230618 /nfs/dbraw/zinc/23/06/18/251230618.db2.gz TVMQNOOURZJPES-IRXDYDNUSA-N 2 2 343.431 1.520 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417828275 251286341 /nfs/dbraw/zinc/28/63/41/251286341.db2.gz OUXHOBUBYJFVEW-YNEHKIRRSA-N 2 2 326.466 1.156 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417828275 251286346 /nfs/dbraw/zinc/28/63/46/251286346.db2.gz OUXHOBUBYJFVEW-YNEHKIRRSA-N 2 2 326.466 1.156 20 0 EDADLP C[C@@H](c1cccc(NC(=O)C[C@H]2COCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000262472404 139281338 /nfs/dbraw/zinc/28/13/38/139281338.db2.gz YLQZUCPWFPKJHG-YOEHRIQHSA-N 2 2 333.432 1.397 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1)[C@H]1CCC[NH2+]1 ZINC000262503288 139282900 /nfs/dbraw/zinc/28/29/00/139282900.db2.gz MFIOXIJOKNBXBH-VXGBXAGGSA-N 2 2 342.896 1.877 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1)[C@H]1CCC[NH2+]1 ZINC000262503288 139282901 /nfs/dbraw/zinc/28/29/01/139282901.db2.gz MFIOXIJOKNBXBH-VXGBXAGGSA-N 2 2 342.896 1.877 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000417944579 251317136 /nfs/dbraw/zinc/31/71/36/251317136.db2.gz CMOYQQDUYUHIHX-TUKIKUTGSA-N 2 2 340.855 1.358 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000417944579 251317138 /nfs/dbraw/zinc/31/71/38/251317138.db2.gz CMOYQQDUYUHIHX-TUKIKUTGSA-N 2 2 340.855 1.358 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000417992434 251319220 /nfs/dbraw/zinc/31/92/20/251319220.db2.gz MIOLLLASDFEZIZ-DZGCQCFKSA-N 2 2 344.381 1.887 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000417992434 251319222 /nfs/dbraw/zinc/31/92/22/251319222.db2.gz MIOLLLASDFEZIZ-DZGCQCFKSA-N 2 2 344.381 1.887 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000417856433 251301174 /nfs/dbraw/zinc/30/11/74/251301174.db2.gz WMHXOGKVAHWRDP-OAHLLOKOSA-N 2 2 329.448 1.923 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418718214 251395420 /nfs/dbraw/zinc/39/54/20/251395420.db2.gz DDEGBQPKPXVFRW-ZIAGYGMSSA-N 2 2 332.439 1.747 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418718214 251395424 /nfs/dbraw/zinc/39/54/24/251395424.db2.gz DDEGBQPKPXVFRW-ZIAGYGMSSA-N 2 2 332.439 1.747 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352143 251695139 /nfs/dbraw/zinc/69/51/39/251695139.db2.gz YQJNLTSXUKPCGR-UONOGXRCSA-N 2 2 336.867 1.647 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352143 251695141 /nfs/dbraw/zinc/69/51/41/251695141.db2.gz YQJNLTSXUKPCGR-UONOGXRCSA-N 2 2 336.867 1.647 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000422899556 252017356 /nfs/dbraw/zinc/01/73/56/252017356.db2.gz HPXBYZWBUVGUAL-OLMNPRSZSA-N 2 2 347.459 1.661 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000423151667 252038377 /nfs/dbraw/zinc/03/83/77/252038377.db2.gz KLGZHERYMQIACL-ROUUACIJSA-N 2 2 345.487 1.924 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423151667 252038380 /nfs/dbraw/zinc/03/83/80/252038380.db2.gz KLGZHERYMQIACL-ROUUACIJSA-N 2 2 345.487 1.924 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512909 252058281 /nfs/dbraw/zinc/05/82/81/252058281.db2.gz QSFFLRUACOIGAW-TYNCELHUSA-N 2 2 342.281 1.916 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512909 252058283 /nfs/dbraw/zinc/05/82/83/252058283.db2.gz QSFFLRUACOIGAW-TYNCELHUSA-N 2 2 342.281 1.916 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CC)CC[NH2+]CC1 ZINC000422912299 252020113 /nfs/dbraw/zinc/02/01/13/252020113.db2.gz VWJNHNPMDZUYDQ-HZPDHXFCSA-N 3 2 325.497 1.772 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CC)CC[NH2+]CC1 ZINC000422912299 252020117 /nfs/dbraw/zinc/02/01/17/252020117.db2.gz VWJNHNPMDZUYDQ-HZPDHXFCSA-N 3 2 325.497 1.772 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000423798376 252079314 /nfs/dbraw/zinc/07/93/14/252079314.db2.gz OQUSYPBPXCWJFO-KRWDZBQOSA-N 2 2 349.475 1.512 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000424218786 252166710 /nfs/dbraw/zinc/16/67/10/252166710.db2.gz XAZMFBQGWHGVEJ-OAHLLOKOSA-N 2 2 341.402 1.534 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH3+])CC2 ZINC000424219064 252167341 /nfs/dbraw/zinc/16/73/41/252167341.db2.gz ZCPJYQCMKFLOOO-HZPDHXFCSA-N 2 2 347.459 1.448 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH3+])CC2 ZINC000424219064 252167344 /nfs/dbraw/zinc/16/73/44/252167344.db2.gz ZCPJYQCMKFLOOO-HZPDHXFCSA-N 2 2 347.459 1.448 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)s1 ZINC000262923862 139313150 /nfs/dbraw/zinc/31/31/50/139313150.db2.gz SAYGMBPWYVWXTO-SFHVURJKSA-N 2 2 344.484 1.970 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)on1 ZINC000424275862 252188290 /nfs/dbraw/zinc/18/82/90/252188290.db2.gz BFMKGXMVYJXXSS-MRXNPFEDSA-N 2 2 332.423 1.982 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424335097 252197909 /nfs/dbraw/zinc/19/79/09/252197909.db2.gz OLBHRJMIJNWWBX-NWANDNLSSA-N 2 2 335.448 1.568 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424468895 252239709 /nfs/dbraw/zinc/23/97/09/252239709.db2.gz OURVDKBTDPRILB-GFCCVEGCSA-N 2 2 341.406 1.606 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000424441385 252232592 /nfs/dbraw/zinc/23/25/92/252232592.db2.gz AULFYSJHYLAXDC-UHFFFAOYSA-N 2 2 326.400 1.720 20 0 EDADLP O=S1(=O)CC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000328641066 285064839 /nfs/dbraw/zinc/06/48/39/285064839.db2.gz CZJKCBDOLJHMTB-LSDHHAIUSA-N 2 2 337.489 1.834 20 0 EDADLP O=S1(=O)CC[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000328641066 285064841 /nfs/dbraw/zinc/06/48/41/285064841.db2.gz CZJKCBDOLJHMTB-LSDHHAIUSA-N 2 2 337.489 1.834 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)[NH+]2CCCC2)o1 ZINC000263319157 139335684 /nfs/dbraw/zinc/33/56/84/139335684.db2.gz ZYUDHBFCKSOPPD-OLZOCXBDSA-N 2 2 327.375 1.838 20 0 EDADLP Cc1cc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH]n1 ZINC000154345561 224240950 /nfs/dbraw/zinc/24/09/50/224240950.db2.gz YUUZUQKYMVQRKV-SJPCQFCGSA-N 2 2 331.464 1.030 20 0 EDADLP Cc1cc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]n1 ZINC000154345561 224240952 /nfs/dbraw/zinc/24/09/52/224240952.db2.gz YUUZUQKYMVQRKV-SJPCQFCGSA-N 2 2 331.464 1.030 20 0 EDADLP CCOC1(C)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000489915272 255073989 /nfs/dbraw/zinc/07/39/89/255073989.db2.gz UKVNDKJIFXQBCG-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000492541199 255178329 /nfs/dbraw/zinc/17/83/29/255178329.db2.gz WSINEPJTMWITKF-KXPUMZMLSA-N 2 2 334.464 1.876 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CCCO1 ZINC000493149341 255193501 /nfs/dbraw/zinc/19/35/01/255193501.db2.gz JZVVHEJQQWTWSZ-IMXKFXGHSA-N 2 2 326.400 1.462 20 0 EDADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000493155914 255193863 /nfs/dbraw/zinc/19/38/63/255193863.db2.gz NJOGVYAZCOBWAJ-WLMCBFPDSA-N 2 2 326.400 1.301 20 0 EDADLP CC[C@H]1CN(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCO1 ZINC000494444418 255251151 /nfs/dbraw/zinc/25/11/51/255251151.db2.gz DYYGQRSHZJDAPR-IBGZPJMESA-N 2 2 332.492 1.746 20 0 EDADLP CN(C)CC[N@@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC000494837917 255263308 /nfs/dbraw/zinc/26/33/08/255263308.db2.gz MMXSXGIVTNXICD-UHFFFAOYSA-N 2 2 326.510 1.423 20 0 EDADLP CN(CCCNC(=O)c1sccc1C[NH+](C)C)CC[NH+](C)C ZINC000494837917 255263309 /nfs/dbraw/zinc/26/33/09/255263309.db2.gz MMXSXGIVTNXICD-UHFFFAOYSA-N 2 2 326.510 1.423 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1C ZINC000496357532 255385981 /nfs/dbraw/zinc/38/59/81/255385981.db2.gz IKRSQEAMQTUZKH-OKILXGFUSA-N 2 2 349.479 1.785 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1C ZINC000496357532 255385982 /nfs/dbraw/zinc/38/59/82/255385982.db2.gz IKRSQEAMQTUZKH-OKILXGFUSA-N 2 2 349.479 1.785 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cnccc1NC(=O)OC(C)(C)C ZINC000496454447 255393346 /nfs/dbraw/zinc/39/33/46/255393346.db2.gz RQLGXDBZZIHBLI-STQMWFEESA-N 2 2 338.452 1.424 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118843083 221195684 /nfs/dbraw/zinc/19/56/84/221195684.db2.gz GVUUUCAZBLSJLU-OAHLLOKOSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118843083 221195687 /nfs/dbraw/zinc/19/56/87/221195687.db2.gz GVUUUCAZBLSJLU-OAHLLOKOSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118843083 221195691 /nfs/dbraw/zinc/19/56/91/221195691.db2.gz GVUUUCAZBLSJLU-OAHLLOKOSA-N 2 2 346.475 1.601 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000118843083 221195692 /nfs/dbraw/zinc/19/56/92/221195692.db2.gz GVUUUCAZBLSJLU-OAHLLOKOSA-N 2 2 346.475 1.601 20 0 EDADLP COc1cccc(CC(=O)N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000119505274 221336058 /nfs/dbraw/zinc/33/60/58/221336058.db2.gz BUCHYTSYVORSJX-GOSISDBHSA-N 2 2 345.487 1.866 20 0 EDADLP COc1cccc(CC(=O)N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000119505274 221336061 /nfs/dbraw/zinc/33/60/61/221336061.db2.gz BUCHYTSYVORSJX-GOSISDBHSA-N 2 2 345.487 1.866 20 0 EDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000264170962 139384350 /nfs/dbraw/zinc/38/43/50/139384350.db2.gz HTYPJAVHHKRWGS-UHFFFAOYSA-N 2 2 329.448 1.943 20 0 EDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000264170962 139384351 /nfs/dbraw/zinc/38/43/51/139384351.db2.gz HTYPJAVHHKRWGS-UHFFFAOYSA-N 2 2 329.448 1.943 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCS3)CC2)CC1 ZINC000119657411 221369412 /nfs/dbraw/zinc/36/94/12/221369412.db2.gz WJNKVIBVOHOTGI-INIZCTEOSA-N 2 2 340.537 1.740 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnnn2C)[C@@H]1c1cnn(C)c1 ZINC000328623215 258034188 /nfs/dbraw/zinc/03/41/88/258034188.db2.gz BSUDKUMMHPIOCJ-WMLDXEAASA-N 2 2 331.468 1.454 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnnn2C)[C@@H]1c1cnn(C)c1 ZINC000328623215 258034190 /nfs/dbraw/zinc/03/41/90/258034190.db2.gz BSUDKUMMHPIOCJ-WMLDXEAASA-N 2 2 331.468 1.454 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnnn2C)[C@@H]1c1cnn(C)c1 ZINC000328623215 258034191 /nfs/dbraw/zinc/03/41/91/258034191.db2.gz BSUDKUMMHPIOCJ-WMLDXEAASA-N 2 2 331.468 1.454 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnnn2C)[C@@H]1c1cnn(C)c1 ZINC000328623215 258034193 /nfs/dbraw/zinc/03/41/93/258034193.db2.gz BSUDKUMMHPIOCJ-WMLDXEAASA-N 2 2 331.468 1.454 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)[C@H](C)C1 ZINC000180876601 533424414 /nfs/dbraw/zinc/42/44/14/533424414.db2.gz ALQCGOJGXNXDNO-CYBMUJFWSA-N 2 2 330.388 1.044 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)[C@H](C)C1 ZINC000180876601 533424418 /nfs/dbraw/zinc/42/44/18/533424418.db2.gz ALQCGOJGXNXDNO-CYBMUJFWSA-N 2 2 330.388 1.044 20 0 EDADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C1(CO)CCCC1 ZINC000571643877 306571040 /nfs/dbraw/zinc/57/10/40/306571040.db2.gz YSNRGQUMEHLDQT-TVFCKZIOSA-N 2 2 342.524 1.623 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCSC1 ZINC000269834817 140003213 /nfs/dbraw/zinc/00/32/13/140003213.db2.gz AEZMCDVEYSXIFQ-PBHICJAKSA-N 2 2 349.504 1.397 20 0 EDADLP CC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](O)C(F)(F)F ZINC000270774149 140166379 /nfs/dbraw/zinc/16/63/79/140166379.db2.gz ATEUSOSSOSBMSF-STQMWFEESA-N 2 2 347.385 1.020 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000331382464 141014564 /nfs/dbraw/zinc/01/45/64/141014564.db2.gz FVTXZDZLUMKWIO-AWEZNQCLSA-N 2 2 330.436 1.898 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000332237250 141144877 /nfs/dbraw/zinc/14/48/77/141144877.db2.gz SAZKEVJXIQEWNI-HZPDHXFCSA-N 2 2 338.496 1.809 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000332237250 141144878 /nfs/dbraw/zinc/14/48/78/141144878.db2.gz SAZKEVJXIQEWNI-HZPDHXFCSA-N 2 2 338.496 1.809 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000332563703 141203952 /nfs/dbraw/zinc/20/39/52/141203952.db2.gz WLHAMISTOCEJEE-HIFRSBDPSA-N 2 2 347.463 1.675 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)ccc2[nH+]1 ZINC000333196872 141279529 /nfs/dbraw/zinc/27/95/29/141279529.db2.gz XOLFPIFPFCECRW-BBRMVZONSA-N 2 2 343.431 1.827 20 0 EDADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333299978 141295273 /nfs/dbraw/zinc/29/52/73/141295273.db2.gz IUEJPOWTRNUXDP-SJORKVTESA-N 2 2 343.475 1.965 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333577401 141339829 /nfs/dbraw/zinc/33/98/29/141339829.db2.gz NEDDBTGADQAVFY-HZPDHXFCSA-N 2 2 331.464 1.792 20 0 EDADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000339865462 142182738 /nfs/dbraw/zinc/18/27/38/142182738.db2.gz KXGZTDJTTWFWMP-HOTGVXAUSA-N 2 2 325.497 1.676 20 0 EDADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000339865462 142182739 /nfs/dbraw/zinc/18/27/39/142182739.db2.gz KXGZTDJTTWFWMP-HOTGVXAUSA-N 2 2 325.497 1.676 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C[C@H]1C ZINC000345148194 143057600 /nfs/dbraw/zinc/05/76/00/143057600.db2.gz KEFJFPLMZOOKOX-PMPSAXMXSA-N 2 2 333.480 1.604 20 0 EDADLP CC[N@H+]1C[C@H](C)N(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C[C@H]1C ZINC000345148194 143057601 /nfs/dbraw/zinc/05/76/01/143057601.db2.gz KEFJFPLMZOOKOX-PMPSAXMXSA-N 2 2 333.480 1.604 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000345409230 143087980 /nfs/dbraw/zinc/08/79/80/143087980.db2.gz RVAKMIHDJOOKGY-ZHALLVOQSA-N 2 2 347.503 1.727 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCC[N@@H+]1C ZINC000345742505 143127677 /nfs/dbraw/zinc/12/76/77/143127677.db2.gz JBCLXNTZGWWUAR-OAGGEKHMSA-N 2 2 333.480 1.867 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCC[N@H+]1C ZINC000345742505 143127678 /nfs/dbraw/zinc/12/76/78/143127678.db2.gz JBCLXNTZGWWUAR-OAGGEKHMSA-N 2 2 333.480 1.867 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000345758056 143129723 /nfs/dbraw/zinc/12/97/23/143129723.db2.gz KMOMRYRBAPHDCX-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000345758056 143129724 /nfs/dbraw/zinc/12/97/24/143129724.db2.gz KMOMRYRBAPHDCX-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000345994539 143155198 /nfs/dbraw/zinc/15/51/98/143155198.db2.gz IVMCVTYATUOWCF-CYBMUJFWSA-N 2 2 338.371 1.212 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCCOCC2)([NH+]2CCCCC2)CC1 ZINC000346098751 143167486 /nfs/dbraw/zinc/16/74/86/143167486.db2.gz BQVUXCSIKUFENJ-QGZVFWFLSA-N 2 2 337.508 1.870 20 0 EDADLP Cc1noc(CN2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000346130508 143170696 /nfs/dbraw/zinc/17/06/96/143170696.db2.gz IRJLUKMXQJWLFM-UHFFFAOYSA-N 2 2 344.444 1.943 20 0 EDADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000346168306 143174337 /nfs/dbraw/zinc/17/43/37/143174337.db2.gz IDSSCLJXNBTIRK-GFCCVEGCSA-N 2 2 325.459 1.943 20 0 EDADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000346168306 143174338 /nfs/dbraw/zinc/17/43/38/143174338.db2.gz IDSSCLJXNBTIRK-GFCCVEGCSA-N 2 2 325.459 1.943 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000346184659 143176479 /nfs/dbraw/zinc/17/64/79/143176479.db2.gz PKMVCRHDTNBYKI-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000346184659 143176480 /nfs/dbraw/zinc/17/64/80/143176480.db2.gz PKMVCRHDTNBYKI-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000346184659 143176481 /nfs/dbraw/zinc/17/64/81/143176481.db2.gz PKMVCRHDTNBYKI-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000346184659 143176482 /nfs/dbraw/zinc/17/64/82/143176482.db2.gz PKMVCRHDTNBYKI-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346202443 143178479 /nfs/dbraw/zinc/17/84/79/143178479.db2.gz JCEOKZVBCRCLKU-MRXNPFEDSA-N 2 2 349.460 1.089 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346202443 143178480 /nfs/dbraw/zinc/17/84/80/143178480.db2.gz JCEOKZVBCRCLKU-MRXNPFEDSA-N 2 2 349.460 1.089 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](F)C[C@@H]2CO)CC1 ZINC000346360241 143196512 /nfs/dbraw/zinc/19/65/12/143196512.db2.gz LJOUNEJBEZSFEL-KBAYOESNSA-N 2 2 349.450 1.297 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](F)C[C@@H]2CO)CC1 ZINC000346360241 143196513 /nfs/dbraw/zinc/19/65/13/143196513.db2.gz LJOUNEJBEZSFEL-KBAYOESNSA-N 2 2 349.450 1.297 20 0 EDADLP Cn1cc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)cn1 ZINC000346873111 143254406 /nfs/dbraw/zinc/25/44/06/143254406.db2.gz JORXGAVAKXUPKQ-WMZOPIPTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)cn1 ZINC000346873111 143254407 /nfs/dbraw/zinc/25/44/07/143254407.db2.gz JORXGAVAKXUPKQ-WMZOPIPTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)cn1 ZINC000346873111 143254408 /nfs/dbraw/zinc/25/44/08/143254408.db2.gz JORXGAVAKXUPKQ-WMZOPIPTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)cn1 ZINC000346873111 143254409 /nfs/dbraw/zinc/25/44/09/143254409.db2.gz JORXGAVAKXUPKQ-WMZOPIPTSA-N 2 2 330.480 1.711 20 0 EDADLP C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CC[NH+](CCO)CC1 ZINC000347053087 143276885 /nfs/dbraw/zinc/27/68/85/143276885.db2.gz MCWWAOVMSMUZDJ-QGZVFWFLSA-N 2 2 326.868 1.632 20 0 EDADLP C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CC[NH+](CCO)CC1 ZINC000347053087 143276886 /nfs/dbraw/zinc/27/68/86/143276886.db2.gz MCWWAOVMSMUZDJ-QGZVFWFLSA-N 2 2 326.868 1.632 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000347719137 143354002 /nfs/dbraw/zinc/35/40/02/143354002.db2.gz QMLWJGJYMLIDRS-GOSISDBHSA-N 2 2 345.487 1.342 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000347724240 143354678 /nfs/dbraw/zinc/35/46/78/143354678.db2.gz YZSHQQHFZQAEMZ-KRWDZBQOSA-N 2 2 331.460 1.299 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](c2ccsc2)O1 ZINC000369814957 155187934 /nfs/dbraw/zinc/18/79/34/155187934.db2.gz VGEDVZOWFJKQQH-GDBMZVCRSA-N 2 2 337.489 1.674 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](c2ccsc2)O1 ZINC000369814957 155187936 /nfs/dbraw/zinc/18/79/36/155187936.db2.gz VGEDVZOWFJKQQH-GDBMZVCRSA-N 2 2 337.489 1.674 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000573306847 306617588 /nfs/dbraw/zinc/61/75/88/306617588.db2.gz QLEIWGVVMJOLEI-CABCVRRESA-N 2 2 328.420 1.965 20 0 EDADLP [NH3+]C[C@@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416864482 304353174 /nfs/dbraw/zinc/35/31/74/304353174.db2.gz OSOUJEDXKUEJQE-KRWDZBQOSA-N 2 2 332.448 1.152 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)n(C)n1 ZINC000369899719 155221867 /nfs/dbraw/zinc/22/18/67/155221867.db2.gz JOKJNHTZIOPUGU-OAHLLOKOSA-N 2 2 342.447 1.947 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)n(C)n1 ZINC000369899719 155221869 /nfs/dbraw/zinc/22/18/69/155221869.db2.gz JOKJNHTZIOPUGU-OAHLLOKOSA-N 2 2 342.447 1.947 20 0 EDADLP CCOCCO[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354976662 286106877 /nfs/dbraw/zinc/10/68/77/286106877.db2.gz NKAKPQOTHXSWOG-CVEARBPZSA-N 2 2 341.496 1.055 20 0 EDADLP CCOCCO[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354976662 286106880 /nfs/dbraw/zinc/10/68/80/286106880.db2.gz NKAKPQOTHXSWOG-CVEARBPZSA-N 2 2 341.496 1.055 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000416976940 304359241 /nfs/dbraw/zinc/35/92/41/304359241.db2.gz ALQHZORCPYZPBK-DZGCQCFKSA-N 2 2 335.452 1.089 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000416979116 304360192 /nfs/dbraw/zinc/36/01/92/304360192.db2.gz DRFQEWOFEZQQAE-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000354948323 150049828 /nfs/dbraw/zinc/04/98/28/150049828.db2.gz BFTIZIJMWUNBPY-KRWDZBQOSA-N 2 2 331.460 1.543 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355499987 150293785 /nfs/dbraw/zinc/29/37/85/150293785.db2.gz CLICHXGBAYCULI-RDJZCZTQSA-N 3 2 345.491 1.387 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355499987 150293788 /nfs/dbraw/zinc/29/37/88/150293788.db2.gz CLICHXGBAYCULI-RDJZCZTQSA-N 3 2 345.491 1.387 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000355529615 150303682 /nfs/dbraw/zinc/30/36/82/150303682.db2.gz KHPBRAUJXNBPSE-QGZVFWFLSA-N 2 2 339.443 1.343 20 0 EDADLP Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000355529615 150303685 /nfs/dbraw/zinc/30/36/85/150303685.db2.gz KHPBRAUJXNBPSE-QGZVFWFLSA-N 2 2 339.443 1.343 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355598110 150330607 /nfs/dbraw/zinc/33/06/07/150330607.db2.gz OWFOXBBMVDGTNJ-KRWDZBQOSA-N 2 2 349.500 1.052 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355598110 150330609 /nfs/dbraw/zinc/33/06/09/150330609.db2.gz OWFOXBBMVDGTNJ-KRWDZBQOSA-N 2 2 349.500 1.052 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000357407939 151022864 /nfs/dbraw/zinc/02/28/64/151022864.db2.gz FXQKECVMXMPULD-QAPCUYQASA-N 2 2 331.460 1.731 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000357599550 151080780 /nfs/dbraw/zinc/08/07/80/151080780.db2.gz NERWBAFVMCMPNY-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000357599550 151080783 /nfs/dbraw/zinc/08/07/83/151080783.db2.gz NERWBAFVMCMPNY-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000357599550 151080789 /nfs/dbraw/zinc/08/07/89/151080789.db2.gz NERWBAFVMCMPNY-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000357599550 151080793 /nfs/dbraw/zinc/08/07/93/151080793.db2.gz NERWBAFVMCMPNY-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647081 151099639 /nfs/dbraw/zinc/09/96/39/151099639.db2.gz MGYOOPDYMCFWEB-GOSISDBHSA-N 2 2 349.475 1.801 20 0 EDADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647081 151099641 /nfs/dbraw/zinc/09/96/41/151099641.db2.gz MGYOOPDYMCFWEB-GOSISDBHSA-N 2 2 349.475 1.801 20 0 EDADLP Cc1cc(C[N@H+]2C[C@H](F)C[C@H]2CN(C)c2cc[nH+]c(N(C)C)n2)on1 ZINC000357711267 151121929 /nfs/dbraw/zinc/12/19/29/151121929.db2.gz YPVVELFRGBUKQQ-KGLIPLIRSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CN(C)c2cc[nH+]c(N(C)C)n2)on1 ZINC000357711267 151121931 /nfs/dbraw/zinc/12/19/31/151121931.db2.gz YPVVELFRGBUKQQ-KGLIPLIRSA-N 2 2 348.426 1.888 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722627 151125363 /nfs/dbraw/zinc/12/53/63/151125363.db2.gz RLSKJXYZIUUTLN-KRWDZBQOSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722627 151125366 /nfs/dbraw/zinc/12/53/66/151125366.db2.gz RLSKJXYZIUUTLN-KRWDZBQOSA-N 2 2 347.503 1.812 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357723564 151126275 /nfs/dbraw/zinc/12/62/75/151126275.db2.gz NDKSKYQMAQIWHS-GOSISDBHSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357723564 151126276 /nfs/dbraw/zinc/12/62/76/151126276.db2.gz NDKSKYQMAQIWHS-GOSISDBHSA-N 2 2 336.476 1.432 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CC1 ZINC000357831304 151164970 /nfs/dbraw/zinc/16/49/70/151164970.db2.gz PESJZABXNYKEAL-CVEARBPZSA-N 2 2 349.479 1.623 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000358094512 151267777 /nfs/dbraw/zinc/26/77/77/151267777.db2.gz OCRDJHAZJISJQE-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000358094512 151267780 /nfs/dbraw/zinc/26/77/80/151267780.db2.gz OCRDJHAZJISJQE-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000358136607 151284672 /nfs/dbraw/zinc/28/46/72/151284672.db2.gz LLQNUIYLLHVZLE-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000358136607 151284673 /nfs/dbraw/zinc/28/46/73/151284673.db2.gz LLQNUIYLLHVZLE-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)Nc3cc[nH+]cc3O)cc2F)CC1 ZINC000358354963 151348122 /nfs/dbraw/zinc/34/81/22/151348122.db2.gz OLWYTZAPEMIQRV-UHFFFAOYSA-N 2 2 344.390 1.742 20 0 EDADLP CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360481346 152061861 /nfs/dbraw/zinc/06/18/61/152061861.db2.gz FRPQFERJPCYJAS-LJQANCHMSA-N 2 2 347.503 1.670 20 0 EDADLP CC(C)C[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360481346 152061865 /nfs/dbraw/zinc/06/18/65/152061865.db2.gz FRPQFERJPCYJAS-LJQANCHMSA-N 2 2 347.503 1.670 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1OC ZINC000360536578 152085659 /nfs/dbraw/zinc/08/56/59/152085659.db2.gz WHVKSYKCAHXZRD-IBGZPJMESA-N 2 2 347.459 1.348 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1OC ZINC000360536578 152085662 /nfs/dbraw/zinc/08/56/62/152085662.db2.gz WHVKSYKCAHXZRD-IBGZPJMESA-N 2 2 347.459 1.348 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567031 152099928 /nfs/dbraw/zinc/09/99/28/152099928.db2.gz BVOZNJWLMHMSHX-GOSISDBHSA-N 2 2 335.423 1.348 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567031 152099930 /nfs/dbraw/zinc/09/99/30/152099930.db2.gz BVOZNJWLMHMSHX-GOSISDBHSA-N 2 2 335.423 1.348 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)C1(C)C ZINC000364602831 286305511 /nfs/dbraw/zinc/30/55/11/286305511.db2.gz QJWJXCNFSWDXTJ-JJRVBVJISA-N 2 2 341.521 1.169 20 0 EDADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000360939603 152258118 /nfs/dbraw/zinc/25/81/18/152258118.db2.gz BNMUDCVMRGOJOX-IEBWSBKVSA-N 3 2 332.492 1.998 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1csc2nccn12 ZINC000360968768 152266131 /nfs/dbraw/zinc/26/61/31/152266131.db2.gz JHJDQBURCVMNLT-UHFFFAOYSA-N 2 2 349.504 1.423 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1csc2nccn12 ZINC000360968768 152266133 /nfs/dbraw/zinc/26/61/33/152266133.db2.gz JHJDQBURCVMNLT-UHFFFAOYSA-N 2 2 349.504 1.423 20 0 EDADLP CNS(=O)(=O)CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361084360 152297665 /nfs/dbraw/zinc/29/76/65/152297665.db2.gz ABVWVBDAAVKPSV-UHFFFAOYSA-N 2 2 328.482 1.315 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000361090283 152298948 /nfs/dbraw/zinc/29/89/48/152298948.db2.gz ZAUHZDHLIQNEFF-UHFFFAOYSA-N 2 2 334.464 1.549 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC000361124779 152312608 /nfs/dbraw/zinc/31/26/08/152312608.db2.gz TXUXTXVPOMIWCK-MRXNPFEDSA-N 2 2 339.480 1.252 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)Cc1ccc(CO)cc1 ZINC000361251355 152345288 /nfs/dbraw/zinc/34/52/88/152345288.db2.gz MFZBEDDLPRTYCM-ZWKOTPCHSA-N 2 2 346.450 1.957 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)Cc1ccc(CO)cc1 ZINC000361251355 152345289 /nfs/dbraw/zinc/34/52/89/152345289.db2.gz MFZBEDDLPRTYCM-ZWKOTPCHSA-N 2 2 346.450 1.957 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361289695 152354332 /nfs/dbraw/zinc/35/43/32/152354332.db2.gz WMPHUOSCJMCYLO-HOTGVXAUSA-N 2 2 347.463 1.436 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(C)n1 ZINC000361351835 152368261 /nfs/dbraw/zinc/36/82/61/152368261.db2.gz MVJXMDCMDAEAPK-CQSZACIVSA-N 2 2 333.480 1.687 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)COC(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000370158315 155353638 /nfs/dbraw/zinc/35/36/38/155353638.db2.gz FERRWNIOUGFQDB-OAHLLOKOSA-N 2 2 334.464 1.799 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cc[nH]n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370158841 155353727 /nfs/dbraw/zinc/35/37/27/155353727.db2.gz FGYFRKYYAJCPHG-CQSZACIVSA-N 2 2 328.420 1.411 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000363707389 153035353 /nfs/dbraw/zinc/03/53/53/153035353.db2.gz QIVCYQIRILQUKE-VNQPRFMTSA-N 2 2 333.480 1.672 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1nnc(C2CC2)n1C ZINC000363707389 153035355 /nfs/dbraw/zinc/03/53/55/153035355.db2.gz QIVCYQIRILQUKE-VNQPRFMTSA-N 2 2 333.480 1.672 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)n(C)n1 ZINC000363712770 153037533 /nfs/dbraw/zinc/03/75/33/153037533.db2.gz KXCOXDMFYZSPIB-CWRNSKLLSA-N 2 2 349.479 1.146 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)n(C)n1 ZINC000363712770 153037537 /nfs/dbraw/zinc/03/75/37/153037537.db2.gz KXCOXDMFYZSPIB-CWRNSKLLSA-N 2 2 349.479 1.146 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000363791332 153057614 /nfs/dbraw/zinc/05/76/14/153057614.db2.gz VDVQCHMOLJSWNU-CGTJXYLNSA-N 2 2 336.476 1.951 20 0 EDADLP O=C([C@@H]1CCCCC[NH2+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000364211176 153175311 /nfs/dbraw/zinc/17/53/11/153175311.db2.gz HLSUIYVACIPAGS-ZWKOTPCHSA-N 2 2 331.460 1.396 20 0 EDADLP Cc1n[nH]cc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364277456 153194531 /nfs/dbraw/zinc/19/45/31/153194531.db2.gz CAOWNYGXHMIBBZ-MRXNPFEDSA-N 2 2 334.468 1.028 20 0 EDADLP Cc1n[nH]cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364277456 153194534 /nfs/dbraw/zinc/19/45/34/153194534.db2.gz CAOWNYGXHMIBBZ-MRXNPFEDSA-N 2 2 334.468 1.028 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H]4CCOC(=O)[C@H]43)c2cc1C ZINC000364343949 153210887 /nfs/dbraw/zinc/21/08/87/153210887.db2.gz PWFIIBZBJHLECL-RKVPGOIHSA-N 2 2 343.427 1.651 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H]4CCOC(=O)[C@H]43)c2cc1C ZINC000364343949 153210891 /nfs/dbraw/zinc/21/08/91/153210891.db2.gz PWFIIBZBJHLECL-RKVPGOIHSA-N 2 2 343.427 1.651 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H]4CCOC(=O)[C@@H]43)c2cc1C ZINC000364343948 153211030 /nfs/dbraw/zinc/21/10/30/153211030.db2.gz PWFIIBZBJHLECL-IIDMSEBBSA-N 2 2 343.427 1.651 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H]4CCOC(=O)[C@@H]43)c2cc1C ZINC000364343948 153211032 /nfs/dbraw/zinc/21/10/32/153211032.db2.gz PWFIIBZBJHLECL-IIDMSEBBSA-N 2 2 343.427 1.651 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)CN3CCCC[C@H]3C(=[NH2+])NO)c2cc1C ZINC000364409603 153230373 /nfs/dbraw/zinc/23/03/73/153230373.db2.gz GCUMGFHZRYNKGR-ZBFHGGJFSA-N 2 2 345.447 1.825 20 0 EDADLP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000364886208 153360731 /nfs/dbraw/zinc/36/07/31/153360731.db2.gz PLVZTSVKNCBHHD-DLBZAZTESA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000364886208 153360734 /nfs/dbraw/zinc/36/07/34/153360734.db2.gz PLVZTSVKNCBHHD-DLBZAZTESA-N 2 2 345.491 1.892 20 0 EDADLP COCc1noc([C@H](C)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000364914119 153367400 /nfs/dbraw/zinc/36/74/00/153367400.db2.gz CADXZBKIIIQLIC-KGLIPLIRSA-N 2 2 337.468 1.377 20 0 EDADLP COCc1noc([C@H](C)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000364914119 153367402 /nfs/dbraw/zinc/36/74/02/153367402.db2.gz CADXZBKIIIQLIC-KGLIPLIRSA-N 2 2 337.468 1.377 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364959196 153383377 /nfs/dbraw/zinc/38/33/77/153383377.db2.gz PAJNKBJLCIOHNS-XKQJLSEDSA-N 2 2 330.432 1.727 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364959196 153383382 /nfs/dbraw/zinc/38/33/82/153383382.db2.gz PAJNKBJLCIOHNS-XKQJLSEDSA-N 2 2 330.432 1.727 20 0 EDADLP CCCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367116361 154013215 /nfs/dbraw/zinc/01/32/15/154013215.db2.gz BIHXLERBPXNWGS-UHFFFAOYSA-N 2 2 347.463 1.214 20 0 EDADLP CCCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367116361 154013217 /nfs/dbraw/zinc/01/32/17/154013217.db2.gz BIHXLERBPXNWGS-UHFFFAOYSA-N 2 2 347.463 1.214 20 0 EDADLP c1cn2c([nH+]1)[C@@H](CNN1CCC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000367349293 154084803 /nfs/dbraw/zinc/08/48/03/154084803.db2.gz NTMXNWPYPPXJIP-IAGOWNOFSA-N 2 2 333.480 1.309 20 0 EDADLP C[C@H]1CN(c2nccn(C(F)F)c2=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367935685 154333312 /nfs/dbraw/zinc/33/33/12/154333312.db2.gz QECNCUJEKNQRCS-LBPRGKRZSA-N 2 2 341.406 1.243 20 0 EDADLP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)s1 ZINC000368015254 154369500 /nfs/dbraw/zinc/36/95/00/154369500.db2.gz CLCBDSKPFJIAFF-KCQAQPDRSA-N 2 2 325.478 1.787 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1C ZINC000368018581 154370681 /nfs/dbraw/zinc/37/06/81/154370681.db2.gz JUUOCOMSTCEVBG-BFYDXBDKSA-N 2 2 335.448 1.495 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1C ZINC000368018581 154370686 /nfs/dbraw/zinc/37/06/86/154370686.db2.gz JUUOCOMSTCEVBG-BFYDXBDKSA-N 2 2 335.448 1.495 20 0 EDADLP CCCCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372564 155000606 /nfs/dbraw/zinc/00/06/06/155000606.db2.gz KAWPKQJSGCDVON-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CCCCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372564 155000613 /nfs/dbraw/zinc/00/06/13/155000613.db2.gz KAWPKQJSGCDVON-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000369447507 155039352 /nfs/dbraw/zinc/03/93/52/155039352.db2.gz JPWRVROELJONAQ-GDBMZVCRSA-N 2 2 342.447 1.525 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000369447507 155039358 /nfs/dbraw/zinc/03/93/58/155039358.db2.gz JPWRVROELJONAQ-GDBMZVCRSA-N 2 2 342.447 1.525 20 0 EDADLP Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000371974564 156190462 /nfs/dbraw/zinc/19/04/62/156190462.db2.gz PMNFWSUQXVAASD-MRXNPFEDSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000371974564 156190466 /nfs/dbraw/zinc/19/04/66/156190466.db2.gz PMNFWSUQXVAASD-MRXNPFEDSA-N 2 2 331.460 1.941 20 0 EDADLP CC[N@H+](C)CC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000371976104 156193841 /nfs/dbraw/zinc/19/38/41/156193841.db2.gz YHPGFPQPJJWHHV-UHFFFAOYSA-N 2 2 331.507 1.443 20 0 EDADLP CC[N@@H+](C)CC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000371976104 156193843 /nfs/dbraw/zinc/19/38/43/156193843.db2.gz YHPGFPQPJJWHHV-UHFFFAOYSA-N 2 2 331.507 1.443 20 0 EDADLP CCCN(C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000417518274 304403105 /nfs/dbraw/zinc/40/31/05/304403105.db2.gz KJXXJYOQDWSQPD-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000374253066 157214036 /nfs/dbraw/zinc/21/40/36/157214036.db2.gz DEVBIDGMEYSFOF-QGZVFWFLSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000374253066 157214041 /nfs/dbraw/zinc/21/40/41/157214041.db2.gz DEVBIDGMEYSFOF-QGZVFWFLSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374388290 157271739 /nfs/dbraw/zinc/27/17/39/157271739.db2.gz QOKMLBNRJVATHO-INIZCTEOSA-N 2 2 327.432 1.965 20 0 EDADLP Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000374750838 157386942 /nfs/dbraw/zinc/38/69/42/157386942.db2.gz RXTGPALYLOVDNQ-INIZCTEOSA-N 2 2 348.495 1.123 20 0 EDADLP Cn1ncc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000377846783 158009091 /nfs/dbraw/zinc/00/90/91/158009091.db2.gz GIFODIKXBZSKTI-UHFFFAOYSA-N 3 2 334.512 1.443 20 0 EDADLP Cn1ncc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000377846783 158009093 /nfs/dbraw/zinc/00/90/93/158009093.db2.gz GIFODIKXBZSKTI-UHFFFAOYSA-N 3 2 334.512 1.443 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnn(C)n1 ZINC000377846783 158009094 /nfs/dbraw/zinc/00/90/94/158009094.db2.gz GIFODIKXBZSKTI-UHFFFAOYSA-N 2 2 334.512 1.443 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368337 158155101 /nfs/dbraw/zinc/15/51/01/158155101.db2.gz GWEWEOPMGBDYCK-CQSZACIVSA-N 2 2 347.507 1.948 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368337 158155104 /nfs/dbraw/zinc/15/51/04/158155104.db2.gz GWEWEOPMGBDYCK-CQSZACIVSA-N 2 2 347.507 1.948 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000193879411 286848477 /nfs/dbraw/zinc/84/84/77/286848477.db2.gz LZDHJUASHGHEGF-INIZCTEOSA-N 2 2 331.460 1.145 20 0 EDADLP CC(C)[C@H](NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352478260 162202939 /nfs/dbraw/zinc/20/29/39/162202939.db2.gz USNZDIRBUXQGDL-QUCCMNQESA-N 2 2 344.503 1.479 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000352495928 162213217 /nfs/dbraw/zinc/21/32/17/162213217.db2.gz QBQFWNFBSVDNKY-FUHWJXTLSA-N 2 2 330.476 1.610 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000352504297 162217114 /nfs/dbraw/zinc/21/71/14/162217114.db2.gz OXLPXYGBLMFDFW-KRWDZBQOSA-N 2 2 344.459 1.721 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000352504297 162217116 /nfs/dbraw/zinc/21/71/16/162217116.db2.gz OXLPXYGBLMFDFW-KRWDZBQOSA-N 2 2 344.459 1.721 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000364231116 162321539 /nfs/dbraw/zinc/32/15/39/162321539.db2.gz ATFLOSIFSAVWBO-CYBMUJFWSA-N 2 2 339.399 1.997 20 0 EDADLP COc1cc(C)cnc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365177072 162353644 /nfs/dbraw/zinc/35/36/44/162353644.db2.gz CDDLNDAANQKDGQ-MRXNPFEDSA-N 2 2 346.475 1.639 20 0 EDADLP COc1cc(C)cnc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365177072 162353648 /nfs/dbraw/zinc/35/36/48/162353648.db2.gz CDDLNDAANQKDGQ-MRXNPFEDSA-N 2 2 346.475 1.639 20 0 EDADLP CC(C)Nc1ncccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365680806 162363762 /nfs/dbraw/zinc/36/37/62/162363762.db2.gz HIERKULCSRDMAR-HNNXBMFYSA-N 2 2 345.491 1.800 20 0 EDADLP CC(C)Nc1ncccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365680806 162363765 /nfs/dbraw/zinc/36/37/65/162363765.db2.gz HIERKULCSRDMAR-HNNXBMFYSA-N 2 2 345.491 1.800 20 0 EDADLP C[C@@H](c1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1)[NH+]1CCOCC1 ZINC000172783797 287138846 /nfs/dbraw/zinc/13/88/46/287138846.db2.gz FUTQPKTXQJNLBF-WMLDXEAASA-N 2 2 333.432 1.349 20 0 EDADLP C[C@@H](c1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1)[NH+]1CCOCC1 ZINC000172783797 287138849 /nfs/dbraw/zinc/13/88/49/287138849.db2.gz FUTQPKTXQJNLBF-WMLDXEAASA-N 2 2 333.432 1.349 20 0 EDADLP COC(C)(C)C[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000074735600 287273147 /nfs/dbraw/zinc/27/31/47/287273147.db2.gz XWUABYXABUDGNN-HNNXBMFYSA-N 2 2 342.528 1.857 20 0 EDADLP COC(C)(C)C[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000074735600 287273149 /nfs/dbraw/zinc/27/31/49/287273149.db2.gz XWUABYXABUDGNN-HNNXBMFYSA-N 2 2 342.528 1.857 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000665717666 452282750 /nfs/dbraw/zinc/28/27/50/452282750.db2.gz RBLTWZJPROMEKU-RDBSUJKOSA-N 2 2 326.510 1.348 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000665717666 452282761 /nfs/dbraw/zinc/28/27/61/452282761.db2.gz RBLTWZJPROMEKU-RDBSUJKOSA-N 2 2 326.510 1.348 20 0 EDADLP CC[NH2+]CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000418332986 304481964 /nfs/dbraw/zinc/48/19/64/304481964.db2.gz UKNIYRINEWVUCF-UHFFFAOYSA-N 2 2 333.480 1.939 20 0 EDADLP C[C@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CSC[NH2+]3)cc2)C[C@H](C)O1 ZINC000164594495 226086709 /nfs/dbraw/zinc/08/67/09/226086709.db2.gz UGQBBPQMPDGQJW-GRDNDAEWSA-N 2 2 349.500 1.575 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000167228256 226183873 /nfs/dbraw/zinc/18/38/73/226183873.db2.gz YCRGHOLAPFWLFW-UHFFFAOYSA-N 2 2 343.435 1.220 20 0 EDADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](CC4OCCO4)C3)CC2)nc1 ZINC000122239605 222043722 /nfs/dbraw/zinc/04/37/22/222043722.db2.gz BPIURQABDFOZDK-KRWDZBQOSA-N 2 2 346.475 1.289 20 0 EDADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](CC4OCCO4)C3)CC2)nc1 ZINC000122239605 222043729 /nfs/dbraw/zinc/04/37/29/222043729.db2.gz BPIURQABDFOZDK-KRWDZBQOSA-N 2 2 346.475 1.289 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C3(C[NH3+])CCCC3)c[nH+]2)CCO1 ZINC000237659863 273011750 /nfs/dbraw/zinc/01/17/50/273011750.db2.gz MXUBAOVJDAIAJM-AWEZNQCLSA-N 2 2 332.448 1.442 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)cc[nH+]1 ZINC000274217433 268112238 /nfs/dbraw/zinc/11/22/38/268112238.db2.gz OHCFNWSNMZLEJE-QGZVFWFLSA-N 2 2 343.475 1.841 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)cc[nH+]1 ZINC000274217433 268112241 /nfs/dbraw/zinc/11/22/41/268112241.db2.gz OHCFNWSNMZLEJE-QGZVFWFLSA-N 2 2 343.475 1.841 20 0 EDADLP CC(C)[C@H](CCO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274639705 268173728 /nfs/dbraw/zinc/17/37/28/268173728.db2.gz YXVBFAGPCPJVCM-SFHVURJKSA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274722596 268191434 /nfs/dbraw/zinc/19/14/34/268191434.db2.gz FEYRAFOOEXRSSX-UHFFFAOYSA-N 2 2 332.452 1.040 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000274722596 268191435 /nfs/dbraw/zinc/19/14/35/268191435.db2.gz FEYRAFOOEXRSSX-UHFFFAOYSA-N 2 2 332.452 1.040 20 0 EDADLP CN1C(=O)CCc2cc(C[NH+]3CCC([N@H+](C)CCO)CC3)ccc21 ZINC000274896613 268232951 /nfs/dbraw/zinc/23/29/51/268232951.db2.gz LRNAKRRFLYRKJQ-UHFFFAOYSA-N 2 2 331.460 1.484 20 0 EDADLP CN1C(=O)CCc2cc(C[NH+]3CCC([N@@H+](C)CCO)CC3)ccc21 ZINC000274896613 268232953 /nfs/dbraw/zinc/23/29/53/268232953.db2.gz LRNAKRRFLYRKJQ-UHFFFAOYSA-N 2 2 331.460 1.484 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000275325911 268323011 /nfs/dbraw/zinc/32/30/11/268323011.db2.gz FDHXLKXZJJAYCF-OAHLLOKOSA-N 2 2 345.451 1.013 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000273425039 273038351 /nfs/dbraw/zinc/03/83/51/273038351.db2.gz RPSLIUGUYUFCLN-BHYGNILZSA-N 2 2 340.427 1.774 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000273425039 273038352 /nfs/dbraw/zinc/03/83/52/273038352.db2.gz RPSLIUGUYUFCLN-BHYGNILZSA-N 2 2 340.427 1.774 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1ccncc1F)[C@H]1CC12CC[NH2+]CC2 ZINC000275734259 273123654 /nfs/dbraw/zinc/12/36/54/273123654.db2.gz PQWLMMRZTCBACO-HNNXBMFYSA-N 2 2 343.406 1.739 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000276358097 273163166 /nfs/dbraw/zinc/16/31/66/273163166.db2.gz YWKLWKDMVLXNRI-UHFFFAOYSA-N 2 2 348.447 1.249 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280405106 273358960 /nfs/dbraw/zinc/35/89/60/273358960.db2.gz XVTUPDILVAGXAF-UHFFFAOYSA-N 2 2 349.866 1.809 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280405106 273358962 /nfs/dbraw/zinc/35/89/62/273358962.db2.gz XVTUPDILVAGXAF-UHFFFAOYSA-N 2 2 349.866 1.809 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000280677511 273384514 /nfs/dbraw/zinc/38/45/14/273384514.db2.gz YLXMRHUJDOZEBQ-UHFFFAOYSA-N 2 2 344.459 1.902 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000280677511 273384515 /nfs/dbraw/zinc/38/45/15/273384515.db2.gz YLXMRHUJDOZEBQ-UHFFFAOYSA-N 2 2 344.459 1.902 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000283358487 273838007 /nfs/dbraw/zinc/83/80/07/273838007.db2.gz QBTAJFQXEDUJMY-UHFFFAOYSA-N 2 2 343.431 1.303 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000283919480 274011041 /nfs/dbraw/zinc/01/10/41/274011041.db2.gz KCRUFORPZVPBPL-HUUCEWRRSA-N 2 2 347.463 1.454 20 0 EDADLP OCC1([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000283946675 274021703 /nfs/dbraw/zinc/02/17/03/274021703.db2.gz DHPDZNWSNIELAZ-GOSISDBHSA-N 2 2 334.460 1.409 20 0 EDADLP OCC1([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000283946675 274021705 /nfs/dbraw/zinc/02/17/05/274021705.db2.gz DHPDZNWSNIELAZ-GOSISDBHSA-N 2 2 334.460 1.409 20 0 EDADLP C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285373771 274522385 /nfs/dbraw/zinc/52/23/85/274522385.db2.gz RKJRBQQOMIGYEW-FUHWJXTLSA-N 2 2 330.476 1.455 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000375232316 275576166 /nfs/dbraw/zinc/57/61/66/275576166.db2.gz DVLVVHGRKTZHGC-IAGOWNOFSA-N 2 2 330.476 1.954 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860673 452742427 /nfs/dbraw/zinc/74/24/27/452742427.db2.gz AYSQCQURTDGZSZ-GOSISDBHSA-N 3 2 327.513 1.122 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000331961921 277136345 /nfs/dbraw/zinc/13/63/45/277136345.db2.gz SNQRKEXPQLZHEC-DAXOMENPSA-N 2 2 338.402 1.843 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000331961921 277136346 /nfs/dbraw/zinc/13/63/46/277136346.db2.gz SNQRKEXPQLZHEC-DAXOMENPSA-N 2 2 338.402 1.843 20 0 EDADLP C[N@@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000375214613 277176761 /nfs/dbraw/zinc/17/67/61/277176761.db2.gz IZWWEEXILFJRNC-BBRMVZONSA-N 2 2 330.432 1.140 20 0 EDADLP C[N@H+]1CC[C@H]2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000375214613 277176762 /nfs/dbraw/zinc/17/67/62/277176762.db2.gz IZWWEEXILFJRNC-BBRMVZONSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CC[C@H]2CC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000375214613 277176763 /nfs/dbraw/zinc/17/67/63/277176763.db2.gz IZWWEEXILFJRNC-BBRMVZONSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CC[C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000375214613 277176764 /nfs/dbraw/zinc/17/67/64/277176764.db2.gz IZWWEEXILFJRNC-BBRMVZONSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000372193461 278143160 /nfs/dbraw/zinc/14/31/60/278143160.db2.gz VAXFTKXCGHYODG-SOLBZPMBSA-N 2 2 334.508 1.098 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000372193461 278143162 /nfs/dbraw/zinc/14/31/62/278143162.db2.gz VAXFTKXCGHYODG-SOLBZPMBSA-N 2 2 334.508 1.098 20 0 EDADLP C[N@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@H]1Cc1ccccc1 ZINC000286830583 288099269 /nfs/dbraw/zinc/09/92/69/288099269.db2.gz YCJMSNJCLCNLSZ-MRXNPFEDSA-N 2 2 349.442 1.608 20 0 EDADLP C[C@H](C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000342231563 279298808 /nfs/dbraw/zinc/29/88/08/279298808.db2.gz MIHIYEWXXYOTDU-OAGGEKHMSA-N 2 2 346.537 1.488 20 0 EDADLP C[C@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000342231563 279298812 /nfs/dbraw/zinc/29/88/12/279298812.db2.gz MIHIYEWXXYOTDU-OAGGEKHMSA-N 2 2 346.537 1.488 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c[nH+]cn2c1)C1CCOCC1 ZINC000286991290 288132273 /nfs/dbraw/zinc/13/22/73/288132273.db2.gz SQRRWZIFCVXSKV-MRXNPFEDSA-N 2 2 339.399 1.966 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)[nH+]c2c1 ZINC000287196166 288177768 /nfs/dbraw/zinc/17/77/68/288177768.db2.gz OJVHFKGLOCIUAI-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)[nH+]c2c1 ZINC000287196166 288177772 /nfs/dbraw/zinc/17/77/72/288177772.db2.gz OJVHFKGLOCIUAI-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP CC[C@]1(CO)CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363881717 281349433 /nfs/dbraw/zinc/34/94/33/281349433.db2.gz COSHIXQJIVMYIN-CRAIPNDOSA-N 2 2 338.496 1.101 20 0 EDADLP CC[C@]1(CO)CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363881717 281349434 /nfs/dbraw/zinc/34/94/34/281349434.db2.gz COSHIXQJIVMYIN-CRAIPNDOSA-N 2 2 338.496 1.101 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000288271833 288446740 /nfs/dbraw/zinc/44/67/40/288446740.db2.gz VKAIWIZZWKQMGX-SJLPKXTDSA-N 2 2 348.491 1.651 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000290989167 288985397 /nfs/dbraw/zinc/98/53/97/288985397.db2.gz FNWZFZKOJSKEQQ-HUUCEWRRSA-N 2 2 325.416 1.544 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337824844 289068391 /nfs/dbraw/zinc/06/83/91/289068391.db2.gz WPWNBHWYCCZRKW-KBPBESRZSA-N 2 2 348.438 1.472 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292129948 289268538 /nfs/dbraw/zinc/26/85/38/289268538.db2.gz LDWBYZBKQNKJCU-DNVCBOLYSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292129948 289268541 /nfs/dbraw/zinc/26/85/41/289268541.db2.gz LDWBYZBKQNKJCU-DNVCBOLYSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292129948 289268543 /nfs/dbraw/zinc/26/85/43/289268543.db2.gz LDWBYZBKQNKJCU-DNVCBOLYSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292129948 289268545 /nfs/dbraw/zinc/26/85/45/289268545.db2.gz LDWBYZBKQNKJCU-DNVCBOLYSA-N 2 2 331.460 1.728 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337268873 289277190 /nfs/dbraw/zinc/27/71/90/289277190.db2.gz LBHUKCURDKITMJ-IBGZPJMESA-N 3 2 346.519 1.823 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337268873 289277192 /nfs/dbraw/zinc/27/71/92/289277192.db2.gz LBHUKCURDKITMJ-IBGZPJMESA-N 3 2 346.519 1.823 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000292214562 289291142 /nfs/dbraw/zinc/29/11/42/289291142.db2.gz ZIUXAXIEEJOWTQ-ROUUACIJSA-N 2 2 331.460 1.708 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292237976 289295926 /nfs/dbraw/zinc/29/59/26/289295926.db2.gz WLRGTCPIHKFRBI-ACJLOTCBSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292237976 289295927 /nfs/dbraw/zinc/29/59/27/289295927.db2.gz WLRGTCPIHKFRBI-ACJLOTCBSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292237976 289295928 /nfs/dbraw/zinc/29/59/28/289295928.db2.gz WLRGTCPIHKFRBI-ACJLOTCBSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292237976 289295929 /nfs/dbraw/zinc/29/59/29/289295929.db2.gz WLRGTCPIHKFRBI-ACJLOTCBSA-N 2 2 330.432 1.140 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C ZINC000354359936 289299649 /nfs/dbraw/zinc/29/96/49/289299649.db2.gz AMNALSODPVWHGD-OAGGEKHMSA-N 2 2 348.495 1.291 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)c1 ZINC000292460508 289354011 /nfs/dbraw/zinc/35/40/11/289354011.db2.gz LUFMXORDLPVHSN-QGZVFWFLSA-N 2 2 335.448 1.202 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCn2c[nH+]cc2C1 ZINC000292498133 289363803 /nfs/dbraw/zinc/36/38/03/289363803.db2.gz QYVGBOVXWYAXLJ-MRXNPFEDSA-N 2 2 325.416 1.683 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCn2c[nH+]cc2C1 ZINC000292498133 289363806 /nfs/dbraw/zinc/36/38/06/289363806.db2.gz QYVGBOVXWYAXLJ-MRXNPFEDSA-N 2 2 325.416 1.683 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000261941836 295226456 /nfs/dbraw/zinc/22/64/56/295226456.db2.gz DUCJNMXBMNBYFP-QGZVFWFLSA-N 2 2 342.447 1.087 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000261941836 295226458 /nfs/dbraw/zinc/22/64/58/295226458.db2.gz DUCJNMXBMNBYFP-QGZVFWFLSA-N 2 2 342.447 1.087 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)C[N@@H+]1C1CC1 ZINC000370276507 297281424 /nfs/dbraw/zinc/28/14/24/297281424.db2.gz WZJVNXGVIVLCLE-SXGZJXTBSA-N 2 2 343.471 1.967 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)C[N@H+]1C1CC1 ZINC000370276507 297281427 /nfs/dbraw/zinc/28/14/27/297281427.db2.gz WZJVNXGVIVLCLE-SXGZJXTBSA-N 2 2 343.471 1.967 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000418618892 304520124 /nfs/dbraw/zinc/52/01/24/304520124.db2.gz OAZSGNOGKQRGRQ-ZDUSSCGKSA-N 2 2 340.855 1.393 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418643638 304523974 /nfs/dbraw/zinc/52/39/74/304523974.db2.gz BKBCMLLYVFWOCR-UKRRQHHQSA-N 2 2 340.418 1.793 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329179030 300236045 /nfs/dbraw/zinc/23/60/45/300236045.db2.gz NGZNOAIALBVADJ-WOSRLPQWSA-N 2 2 327.494 1.015 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000329179030 300236050 /nfs/dbraw/zinc/23/60/50/300236050.db2.gz NGZNOAIALBVADJ-WOSRLPQWSA-N 2 2 327.494 1.015 20 0 EDADLP CCOC(=O)Cc1csc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)n1 ZINC000420319940 304751520 /nfs/dbraw/zinc/75/15/20/304751520.db2.gz PPXFVTZPCZCREP-OAHLLOKOSA-N 2 2 342.465 1.150 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH3+])[NH+]2CCOCC2)s1 ZINC000417842734 301794659 /nfs/dbraw/zinc/79/46/59/301794659.db2.gz YGWVBXHNJCDYPN-OCCSQVGLSA-N 2 2 340.493 1.466 20 0 EDADLP CSc1cc2c(cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C)OCCO2 ZINC000653083139 453264332 /nfs/dbraw/zinc/26/43/32/453264332.db2.gz OQHVSNFBZCKTNY-SNVBAGLBSA-N 2 2 325.434 1.397 20 0 EDADLP C[C@@H]1C[C@@H](CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664639944 453275395 /nfs/dbraw/zinc/27/53/95/453275395.db2.gz GPIOCIFSAGXDSP-CVEARBPZSA-N 2 2 328.501 1.374 20 0 EDADLP C[C@@H]1C[C@@H](CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664639944 453275402 /nfs/dbraw/zinc/27/54/02/453275402.db2.gz GPIOCIFSAGXDSP-CVEARBPZSA-N 2 2 328.501 1.374 20 0 EDADLP C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(N)[nH+]c2)([NH+](C)C)C1 ZINC000414750511 447321378 /nfs/dbraw/zinc/32/13/78/447321378.db2.gz RHMFWNMVXMBYKC-SJCJKPOMSA-N 2 2 333.436 1.229 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000295689575 303252824 /nfs/dbraw/zinc/25/28/24/303252824.db2.gz DEOMSWRXUBOPBY-LSDHHAIUSA-N 2 2 337.464 1.777 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000295689575 303252825 /nfs/dbraw/zinc/25/28/25/303252825.db2.gz DEOMSWRXUBOPBY-LSDHHAIUSA-N 2 2 337.464 1.777 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+](C2CC2)C1 ZINC000297145727 303365354 /nfs/dbraw/zinc/36/53/54/303365354.db2.gz CUUURLYVXCZSLE-CVEARBPZSA-N 2 2 343.475 1.786 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+](C2CC2)C1 ZINC000297145727 303365357 /nfs/dbraw/zinc/36/53/57/303365357.db2.gz CUUURLYVXCZSLE-CVEARBPZSA-N 2 2 343.475 1.786 20 0 EDADLP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](CCO)CC1 ZINC000298066535 303495434 /nfs/dbraw/zinc/49/54/34/303495434.db2.gz CATVLAHIVVPAHO-UHFFFAOYSA-N 2 2 331.460 1.423 20 0 EDADLP Cn1ncc(Br)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856883 447330327 /nfs/dbraw/zinc/33/03/27/447330327.db2.gz BEVPIPYBZLYKFL-UHFFFAOYSA-N 2 2 338.253 1.847 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CCC[N@@H+]3CCCO)cn21 ZINC000458373938 447334234 /nfs/dbraw/zinc/33/42/34/447334234.db2.gz SCYVTRXNRGMYEE-MRXNPFEDSA-N 2 2 345.447 1.289 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CCC[N@H+]3CCCO)cn21 ZINC000458373938 447334236 /nfs/dbraw/zinc/33/42/36/447334236.db2.gz SCYVTRXNRGMYEE-MRXNPFEDSA-N 2 2 345.447 1.289 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1CCCCC[NH2+]1 ZINC000372496462 303802835 /nfs/dbraw/zinc/80/28/35/303802835.db2.gz LVYHQSDLLFQUHK-ZWKOTPCHSA-N 2 2 331.460 1.708 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc(C)[nH+]1 ZINC000422291026 304844620 /nfs/dbraw/zinc/84/46/20/304844620.db2.gz FLYRBOYADYENPY-UHFFFAOYSA-N 2 2 346.475 1.551 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000423739294 304907140 /nfs/dbraw/zinc/90/71/40/304907140.db2.gz HDNZNCWEDFHCSR-RHSMWYFYSA-N 2 2 335.423 1.409 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423921214 304916729 /nfs/dbraw/zinc/91/67/29/304916729.db2.gz UAXZPZCTXOOXHD-SOUVJXGZSA-N 2 2 339.459 1.022 20 0 EDADLP C[C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C[NH3+] ZINC000424069358 304927492 /nfs/dbraw/zinc/92/74/92/304927492.db2.gz ISNGHQMUSKFKGP-GJYPPUQNSA-N 2 2 345.487 1.964 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3O[C@@H](C)C2)CC1 ZINC000429117060 305024266 /nfs/dbraw/zinc/02/42/66/305024266.db2.gz STFFEZMCVGGZLE-HNNXBMFYSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)CC1 ZINC000429117060 305024267 /nfs/dbraw/zinc/02/42/67/305024267.db2.gz STFFEZMCVGGZLE-HNNXBMFYSA-N 2 2 331.460 1.870 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@@H](C[NH3+])C3)C2=O)c1 ZINC000430608755 305058490 /nfs/dbraw/zinc/05/84/90/305058490.db2.gz GAFVQQKDGVEOJC-GUYCJALGSA-N 2 2 333.432 1.480 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCC[C@@H](C[NH3+])C3)C2=O)c1 ZINC000430608755 305058491 /nfs/dbraw/zinc/05/84/91/305058491.db2.gz GAFVQQKDGVEOJC-GUYCJALGSA-N 2 2 333.432 1.480 20 0 EDADLP CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000430635792 305060674 /nfs/dbraw/zinc/06/06/74/305060674.db2.gz WKTIONXTKOTRTM-UHFFFAOYSA-N 2 2 346.475 1.141 20 0 EDADLP C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC[NH2+]CC1 ZINC000430641574 305060741 /nfs/dbraw/zinc/06/07/41/305060741.db2.gz MFHLAOGWWZAKGL-UHFFFAOYSA-N 2 2 348.838 1.543 20 0 EDADLP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC[NH2+]CC1 ZINC000430641574 305060742 /nfs/dbraw/zinc/06/07/42/305060742.db2.gz MFHLAOGWWZAKGL-UHFFFAOYSA-N 2 2 348.838 1.543 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430643433 305060997 /nfs/dbraw/zinc/06/09/97/305060997.db2.gz LWECBBVIZIEMOU-AWEZNQCLSA-N 2 2 339.867 1.848 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430643433 305060998 /nfs/dbraw/zinc/06/09/98/305060998.db2.gz LWECBBVIZIEMOU-AWEZNQCLSA-N 2 2 339.867 1.848 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000430728941 305063433 /nfs/dbraw/zinc/06/34/33/305063433.db2.gz DQLZHPGIZXVBQN-GOSISDBHSA-N 2 2 347.459 1.266 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000430752709 305063950 /nfs/dbraw/zinc/06/39/50/305063950.db2.gz HMBBINUINJQNJC-MAUKXSAKSA-N 2 2 349.475 1.558 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000430773310 305064694 /nfs/dbraw/zinc/06/46/94/305064694.db2.gz SEGRCHYUCWYHHI-QGZVFWFLSA-N 2 2 333.432 1.018 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000430921241 305068131 /nfs/dbraw/zinc/06/81/31/305068131.db2.gz SBUBYLXVXUXGKR-CRAIPNDOSA-N 2 2 333.476 1.897 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000430921241 305068132 /nfs/dbraw/zinc/06/81/32/305068132.db2.gz SBUBYLXVXUXGKR-CRAIPNDOSA-N 2 2 333.476 1.897 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000430940458 305069630 /nfs/dbraw/zinc/06/96/30/305069630.db2.gz KIOWJSRNODQPHD-SMDDNHRTSA-N 2 2 343.349 1.971 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000430940458 305069631 /nfs/dbraw/zinc/06/96/31/305069631.db2.gz KIOWJSRNODQPHD-SMDDNHRTSA-N 2 2 343.349 1.971 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000430961593 305071159 /nfs/dbraw/zinc/07/11/59/305071159.db2.gz DUXFBJUTXQEFKI-WMLDXEAASA-N 2 2 346.475 1.776 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000430961593 305071160 /nfs/dbraw/zinc/07/11/60/305071160.db2.gz DUXFBJUTXQEFKI-WMLDXEAASA-N 2 2 346.475 1.776 20 0 EDADLP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431063310 305073911 /nfs/dbraw/zinc/07/39/11/305073911.db2.gz ZSPSPAIQDVXSBM-OLZOCXBDSA-N 2 2 337.468 1.780 20 0 EDADLP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431063310 305073912 /nfs/dbraw/zinc/07/39/12/305073912.db2.gz ZSPSPAIQDVXSBM-OLZOCXBDSA-N 2 2 337.468 1.780 20 0 EDADLP CCN(C[C@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1)CC(F)(F)F ZINC000431068936 305074257 /nfs/dbraw/zinc/07/42/57/305074257.db2.gz DMTMNAMXJWKZKF-LLVKDONJSA-N 2 2 349.401 1.970 20 0 EDADLP CCN(C[C@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1)CC(F)(F)F ZINC000431068936 305074258 /nfs/dbraw/zinc/07/42/58/305074258.db2.gz DMTMNAMXJWKZKF-LLVKDONJSA-N 2 2 349.401 1.970 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C1)CCCC2 ZINC000432117489 305087615 /nfs/dbraw/zinc/08/76/15/305087615.db2.gz TZMCLDJZOGLIHI-MRXNPFEDSA-N 3 2 345.491 1.091 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C1)CCCC2 ZINC000432117489 305087616 /nfs/dbraw/zinc/08/76/16/305087616.db2.gz TZMCLDJZOGLIHI-MRXNPFEDSA-N 3 2 345.491 1.091 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)N3CCN(C)CC3)C1)CCCC2 ZINC000432117489 305087617 /nfs/dbraw/zinc/08/76/17/305087617.db2.gz TZMCLDJZOGLIHI-MRXNPFEDSA-N 2 2 345.491 1.091 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)N3CCN(C)CC3)C1)CCCC2 ZINC000432117489 305087618 /nfs/dbraw/zinc/08/76/18/305087618.db2.gz TZMCLDJZOGLIHI-MRXNPFEDSA-N 2 2 345.491 1.091 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC2)cc1 ZINC000433121184 305100822 /nfs/dbraw/zinc/10/08/22/305100822.db2.gz QQRZRHOVDXJLHY-SFHVURJKSA-N 2 2 333.476 1.960 20 0 EDADLP Cc1cn2cc(NC(=O)c3ncn([C@@H]4CCC[NH2+]C4)n3)ccc2[nH+]1 ZINC000433380052 305106930 /nfs/dbraw/zinc/10/69/30/305106930.db2.gz YHVAASQBYWYHFX-CYBMUJFWSA-N 2 2 325.376 1.411 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000433939912 305115362 /nfs/dbraw/zinc/11/53/62/305115362.db2.gz IUEWYTWEYPJZPO-YESZJQIVSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000433939912 305115363 /nfs/dbraw/zinc/11/53/63/305115363.db2.gz IUEWYTWEYPJZPO-YESZJQIVSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000434386410 305121442 /nfs/dbraw/zinc/12/14/42/305121442.db2.gz RQBXVGRCTQXEKH-DLBZAZTESA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)[NH+](CC)CC ZINC000434669865 305127016 /nfs/dbraw/zinc/12/70/16/305127016.db2.gz MZXFTMZSKJQDIP-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)[NH+](CC)CC ZINC000434669865 305127017 /nfs/dbraw/zinc/12/70/17/305127017.db2.gz MZXFTMZSKJQDIP-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1 ZINC000434932357 305133295 /nfs/dbraw/zinc/13/32/95/305133295.db2.gz HBJCYAJWFUFHTI-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1 ZINC000434932357 305133296 /nfs/dbraw/zinc/13/32/96/305133296.db2.gz HBJCYAJWFUFHTI-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CCCC[NH+](C)CCNC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000434932357 305133297 /nfs/dbraw/zinc/13/32/97/305133297.db2.gz HBJCYAJWFUFHTI-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CCCC[NH+](C)CCNC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000434932357 305133298 /nfs/dbraw/zinc/13/32/98/305133298.db2.gz HBJCYAJWFUFHTI-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)COC1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435563750 305142430 /nfs/dbraw/zinc/14/24/30/305142430.db2.gz NKRNSUDQEJMADQ-MRXNPFEDSA-N 2 2 346.475 1.850 20 0 EDADLP CC[NH+](CC)CC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435565296 305142592 /nfs/dbraw/zinc/14/25/92/305142592.db2.gz GCVLIFACIAODLI-HNNXBMFYSA-N 3 2 333.480 1.233 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435630269 305144100 /nfs/dbraw/zinc/14/41/00/305144100.db2.gz ZZAOYLOSNWVXDM-INIZCTEOSA-N 2 2 344.459 1.826 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)[C@H]1CCC[NH2+]CC1 ZINC000435630269 305144101 /nfs/dbraw/zinc/14/41/01/305144101.db2.gz ZZAOYLOSNWVXDM-INIZCTEOSA-N 2 2 344.459 1.826 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)NCC1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435684738 305145223 /nfs/dbraw/zinc/14/52/23/305145223.db2.gz UZXXBWCCSHUXDV-INIZCTEOSA-N 2 2 345.491 1.373 20 0 EDADLP CCCCNC(=O)CN(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435691284 305145320 /nfs/dbraw/zinc/14/53/20/305145320.db2.gz CWHUQSKBLADRKZ-INIZCTEOSA-N 2 2 347.507 1.763 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000436459107 305157680 /nfs/dbraw/zinc/15/76/80/305157680.db2.gz QUVVWOUJHWZVJN-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000436459107 305157681 /nfs/dbraw/zinc/15/76/81/305157681.db2.gz QUVVWOUJHWZVJN-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000436459107 305157682 /nfs/dbraw/zinc/15/76/82/305157682.db2.gz QUVVWOUJHWZVJN-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000436459107 305157683 /nfs/dbraw/zinc/15/76/83/305157683.db2.gz QUVVWOUJHWZVJN-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000436480485 305158220 /nfs/dbraw/zinc/15/82/20/305158220.db2.gz DALGIEGNUOIXMJ-HOCLYGCPSA-N 2 2 332.452 1.456 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCCOCC1)c1cccc(Cl)c1 ZINC000438680402 305187957 /nfs/dbraw/zinc/18/79/57/305187957.db2.gz OCCSFCQRIXZHNB-INIZCTEOSA-N 2 2 339.867 1.781 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCC[N@H+]1CCCOCC1)c1cccc(Cl)c1 ZINC000438680402 305187958 /nfs/dbraw/zinc/18/79/58/305187958.db2.gz OCCSFCQRIXZHNB-INIZCTEOSA-N 2 2 339.867 1.781 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000439845699 305202560 /nfs/dbraw/zinc/20/25/60/305202560.db2.gz ZJYHXHFAWIGJHG-CQSZACIVSA-N 2 2 334.464 1.451 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000446373316 305264026 /nfs/dbraw/zinc/26/40/26/305264026.db2.gz QYCULKOAEPHTDW-DDUZABMNSA-N 2 2 332.448 1.648 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000446373316 305264027 /nfs/dbraw/zinc/26/40/27/305264027.db2.gz QYCULKOAEPHTDW-DDUZABMNSA-N 2 2 332.448 1.648 20 0 EDADLP C[C@@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000447657020 305283689 /nfs/dbraw/zinc/28/36/89/305283689.db2.gz CLQNYWUUMIWISG-OAGGEKHMSA-N 2 2 325.497 1.817 20 0 EDADLP C[C@@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000447657020 305283690 /nfs/dbraw/zinc/28/36/90/305283690.db2.gz CLQNYWUUMIWISG-OAGGEKHMSA-N 2 2 325.497 1.817 20 0 EDADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CN(C)CCN2C)CC1 ZINC000449144122 305307878 /nfs/dbraw/zinc/30/78/78/305307878.db2.gz YICGQWYYGZZXLJ-GHTZIAJQSA-N 2 2 344.547 1.917 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000449658729 305316398 /nfs/dbraw/zinc/31/63/98/305316398.db2.gz UFYKVZARZPVPGL-UKRRQHHQSA-N 2 2 325.403 1.868 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000449658729 305316399 /nfs/dbraw/zinc/31/63/99/305316399.db2.gz UFYKVZARZPVPGL-UKRRQHHQSA-N 2 2 325.403 1.868 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000450595268 305330393 /nfs/dbraw/zinc/33/03/93/305330393.db2.gz LZKFCHGKLQWRME-AWEZNQCLSA-N 2 2 337.493 1.289 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000450595268 305330394 /nfs/dbraw/zinc/33/03/94/305330394.db2.gz LZKFCHGKLQWRME-AWEZNQCLSA-N 2 2 337.493 1.289 20 0 EDADLP C[C@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)S(C)(=O)=O ZINC000451044915 305331936 /nfs/dbraw/zinc/33/19/36/305331936.db2.gz CEDOFAJCWZBENA-BPQIPLTHSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)S(C)(=O)=O ZINC000451044915 305331937 /nfs/dbraw/zinc/33/19/37/305331937.db2.gz CEDOFAJCWZBENA-BPQIPLTHSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)S(C)(=O)=O ZINC000451044915 305331938 /nfs/dbraw/zinc/33/19/38/305331938.db2.gz CEDOFAJCWZBENA-BPQIPLTHSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)S(C)(=O)=O ZINC000451044915 305331939 /nfs/dbraw/zinc/33/19/39/305331939.db2.gz CEDOFAJCWZBENA-BPQIPLTHSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)S(C)(=O)=O ZINC000451044918 305331966 /nfs/dbraw/zinc/33/19/66/305331966.db2.gz CEDOFAJCWZBENA-NXHRZFHOSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)S(C)(=O)=O ZINC000451044918 305331967 /nfs/dbraw/zinc/33/19/67/305331967.db2.gz CEDOFAJCWZBENA-NXHRZFHOSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)S(C)(=O)=O ZINC000451044918 305331968 /nfs/dbraw/zinc/33/19/68/305331968.db2.gz CEDOFAJCWZBENA-NXHRZFHOSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)S(C)(=O)=O ZINC000451044918 305331969 /nfs/dbraw/zinc/33/19/69/305331969.db2.gz CEDOFAJCWZBENA-NXHRZFHOSA-N 2 2 336.501 1.873 20 0 EDADLP O=C(C[N@@H+]1CCSC[C@H]1C1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000451645777 305358743 /nfs/dbraw/zinc/35/87/43/305358743.db2.gz BWGIBPPVLZPDIJ-KRWDZBQOSA-N 2 2 349.500 1.751 20 0 EDADLP O=C(C[N@H+]1CCSC[C@H]1C1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000451645777 305358744 /nfs/dbraw/zinc/35/87/44/305358744.db2.gz BWGIBPPVLZPDIJ-KRWDZBQOSA-N 2 2 349.500 1.751 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000452366017 305393181 /nfs/dbraw/zinc/39/31/81/305393181.db2.gz OGEWIISEEJHXKY-QGZVFWFLSA-N 2 2 328.416 1.449 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000452366017 305393182 /nfs/dbraw/zinc/39/31/82/305393182.db2.gz OGEWIISEEJHXKY-QGZVFWFLSA-N 2 2 328.416 1.449 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493608180 447353057 /nfs/dbraw/zinc/35/30/57/447353057.db2.gz CCUOHKDYGNAGFF-AXHPFZFWSA-N 2 2 331.464 1.440 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493608180 447353062 /nfs/dbraw/zinc/35/30/62/447353062.db2.gz CCUOHKDYGNAGFF-AXHPFZFWSA-N 2 2 331.464 1.440 20 0 EDADLP CC(C)(C)[NH+]1CCC(Nc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000515554865 305724462 /nfs/dbraw/zinc/72/44/62/305724462.db2.gz FWHKTENYCBEKTQ-UHFFFAOYSA-N 2 2 343.475 1.553 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000521257828 305787445 /nfs/dbraw/zinc/78/74/45/305787445.db2.gz PZYAZYQATRCDKU-UHFFFAOYSA-N 2 2 339.461 1.924 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000521612459 305790913 /nfs/dbraw/zinc/79/09/13/305790913.db2.gz MLIHVDOWMOVLSF-CZUORRHYSA-N 2 2 332.404 1.260 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)c[nH+]1 ZINC000525974582 305831662 /nfs/dbraw/zinc/83/16/62/305831662.db2.gz XWXGQQDOHYGGCB-UHFFFAOYSA-N 2 2 331.464 1.964 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@]3(CO)COCC4(CCC4)N3C)n2c1 ZINC000527753459 305856967 /nfs/dbraw/zinc/85/69/67/305856967.db2.gz LDYPOORKULFUPH-IBGZPJMESA-N 2 2 344.459 1.348 20 0 EDADLP Cn1cc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000530893237 305948924 /nfs/dbraw/zinc/94/89/24/305948924.db2.gz QRTZXZTVUMCCRK-UHFFFAOYSA-N 2 2 342.487 1.863 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCC(=O)OC)CC2)CC1 ZINC000422136498 447366511 /nfs/dbraw/zinc/36/65/11/447366511.db2.gz VALKUPQJUCYDHD-UHFFFAOYSA-N 2 2 339.480 1.348 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCC(=O)OC)CC2)CC1 ZINC000422136498 447366514 /nfs/dbraw/zinc/36/65/14/447366514.db2.gz VALKUPQJUCYDHD-UHFFFAOYSA-N 2 2 339.480 1.348 20 0 EDADLP C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1n1cc[nH+]c1 ZINC000532091660 305973634 /nfs/dbraw/zinc/97/36/34/305973634.db2.gz AODSCOLPWNYVNK-HIFRSBDPSA-N 2 2 337.387 1.582 20 0 EDADLP Cc1[nH]nc2ncc(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cc12 ZINC000536656846 306024996 /nfs/dbraw/zinc/02/49/96/306024996.db2.gz PMTOUHPSMSHYNI-KRWDZBQOSA-N 2 2 342.491 1.868 20 0 EDADLP Cc1[nH]nc2ncc(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cc12 ZINC000536656846 306024997 /nfs/dbraw/zinc/02/49/97/306024997.db2.gz PMTOUHPSMSHYNI-KRWDZBQOSA-N 2 2 342.491 1.868 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000537162589 306026485 /nfs/dbraw/zinc/02/64/85/306026485.db2.gz MARUONDQMQYXSE-LBPRGKRZSA-N 2 2 331.395 1.960 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)C1 ZINC000537162589 306026486 /nfs/dbraw/zinc/02/64/86/306026486.db2.gz MARUONDQMQYXSE-LBPRGKRZSA-N 2 2 331.395 1.960 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)ccc2n1C ZINC000541911085 306049853 /nfs/dbraw/zinc/04/98/53/306049853.db2.gz PPFBSDNBPVWLEH-CYBMUJFWSA-N 2 2 343.431 1.230 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000543399022 306063363 /nfs/dbraw/zinc/06/33/63/306063363.db2.gz CLYRTWBYAWCAQR-MRXNPFEDSA-N 2 2 343.475 1.872 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000543399022 306063364 /nfs/dbraw/zinc/06/33/64/306063364.db2.gz CLYRTWBYAWCAQR-MRXNPFEDSA-N 2 2 343.475 1.872 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000544349955 306074329 /nfs/dbraw/zinc/07/43/29/306074329.db2.gz ASVBCTJLKCVASC-UHFFFAOYSA-N 2 2 335.415 1.688 20 0 EDADLP C[NH+](C)CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCCC1 ZINC000544798968 306079011 /nfs/dbraw/zinc/07/90/11/306079011.db2.gz JDZPHVLHVLWXSY-UHFFFAOYSA-N 2 2 328.420 1.514 20 0 EDADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000551006369 306155366 /nfs/dbraw/zinc/15/53/66/306155366.db2.gz RWBYDXOMPBJTHO-RHSMWYFYSA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000551006369 306155367 /nfs/dbraw/zinc/15/53/67/306155367.db2.gz RWBYDXOMPBJTHO-RHSMWYFYSA-N 2 2 337.489 1.785 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc4n3CCCC4)CC2)CC1 ZINC000556382480 306210636 /nfs/dbraw/zinc/21/06/36/306210636.db2.gz WUNSQUMQADWQGS-UHFFFAOYSA-N 2 2 345.491 1.508 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC1 ZINC000556774889 306217427 /nfs/dbraw/zinc/21/74/27/306217427.db2.gz GONJIQKCBRVMAQ-KRWDZBQOSA-N 2 2 345.491 1.660 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)CC1 ZINC000556774889 306217428 /nfs/dbraw/zinc/21/74/28/306217428.db2.gz GONJIQKCBRVMAQ-KRWDZBQOSA-N 2 2 345.491 1.660 20 0 EDADLP Cc1cnc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000425956081 447368216 /nfs/dbraw/zinc/36/82/16/447368216.db2.gz BRLBYCDLRDJDQU-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1cnc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000425956081 447368220 /nfs/dbraw/zinc/36/82/20/447368220.db2.gz BRLBYCDLRDJDQU-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1cnc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000425956081 447368222 /nfs/dbraw/zinc/36/82/22/447368222.db2.gz BRLBYCDLRDJDQU-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1cnc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000425956081 447368226 /nfs/dbraw/zinc/36/82/26/447368226.db2.gz BRLBYCDLRDJDQU-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000414966784 447377177 /nfs/dbraw/zinc/37/71/77/447377177.db2.gz AAWNMWBRSYOISC-GOSISDBHSA-N 2 2 326.444 1.654 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000456368758 447377980 /nfs/dbraw/zinc/37/79/80/447377980.db2.gz FIHUBAHATARJFR-INIZCTEOSA-N 2 2 345.491 1.390 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000456368758 447377988 /nfs/dbraw/zinc/37/79/88/447377988.db2.gz FIHUBAHATARJFR-INIZCTEOSA-N 2 2 345.491 1.390 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)ccc1OCC(F)(F)F ZINC000414968838 447379455 /nfs/dbraw/zinc/37/94/55/447379455.db2.gz DEUULVYPESGBNF-ZDUSSCGKSA-N 2 2 347.381 1.630 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000378066629 447399512 /nfs/dbraw/zinc/39/95/12/447399512.db2.gz FXXQRDJAPNJVTF-UXLLHSPISA-N 2 2 336.480 1.118 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000378066629 447399516 /nfs/dbraw/zinc/39/95/16/447399516.db2.gz FXXQRDJAPNJVTF-UXLLHSPISA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000663410134 453791632 /nfs/dbraw/zinc/79/16/32/453791632.db2.gz XIZPFMQPGNUCKP-UHFFFAOYSA-N 3 2 341.544 1.478 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000663410134 453791634 /nfs/dbraw/zinc/79/16/34/453791634.db2.gz XIZPFMQPGNUCKP-UHFFFAOYSA-N 3 2 341.544 1.478 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCCCNc1cccc[nH+]1)[NH+]1CCOCC1 ZINC000045486755 440993369 /nfs/dbraw/zinc/99/33/69/440993369.db2.gz LIGAZWIVDJCIRQ-MRXNPFEDSA-N 2 2 349.479 1.540 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@H](C)C1 ZINC000081096073 441233240 /nfs/dbraw/zinc/23/32/40/441233240.db2.gz FBXKZLNKFCWNLA-GDBMZVCRSA-N 2 2 339.480 1.060 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@H](C)C1 ZINC000081096073 441233245 /nfs/dbraw/zinc/23/32/45/441233245.db2.gz FBXKZLNKFCWNLA-GDBMZVCRSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@H](C)C1 ZINC000081096073 441233250 /nfs/dbraw/zinc/23/32/50/441233250.db2.gz FBXKZLNKFCWNLA-GDBMZVCRSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@H](C)C1 ZINC000081096073 441233257 /nfs/dbraw/zinc/23/32/57/441233257.db2.gz FBXKZLNKFCWNLA-GDBMZVCRSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105125242 441235712 /nfs/dbraw/zinc/23/57/12/441235712.db2.gz XWBIPDKPAKHDIQ-MRXNPFEDSA-N 3 2 341.544 1.384 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105125242 441235717 /nfs/dbraw/zinc/23/57/17/441235717.db2.gz XWBIPDKPAKHDIQ-MRXNPFEDSA-N 3 2 341.544 1.384 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000105130384 441237228 /nfs/dbraw/zinc/23/72/28/441237228.db2.gz KZKFITOZMILHGM-OAHLLOKOSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)N(C)CC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000105173866 441239928 /nfs/dbraw/zinc/23/99/28/441239928.db2.gz ZCOJLQTVVGJBJS-AEFFLSMTSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2nncs2)CC1 ZINC000080746915 441193837 /nfs/dbraw/zinc/19/38/37/441193837.db2.gz SWLCONDYOUKTSO-UHFFFAOYSA-N 2 2 341.481 1.299 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)NCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC000047500775 441197256 /nfs/dbraw/zinc/19/72/56/441197256.db2.gz GJABNVBZSLAACJ-GJZGRUSLSA-N 2 2 335.452 1.292 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCNc2cccc[nH+]2)C1 ZINC000047501104 441197346 /nfs/dbraw/zinc/19/73/46/441197346.db2.gz JMHAJODECBOZFD-HNNXBMFYSA-N 2 2 335.452 1.150 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCNc2cccc[nH+]2)C1 ZINC000047501104 441197349 /nfs/dbraw/zinc/19/73/49/441197349.db2.gz JMHAJODECBOZFD-HNNXBMFYSA-N 2 2 335.452 1.150 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC1CCC2(CC1)OCCO2 ZINC000080958678 441212555 /nfs/dbraw/zinc/21/25/55/441212555.db2.gz MNEBXOIZGNCCJN-CQSZACIVSA-N 2 2 348.447 1.391 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC1CCC2(CC1)OCCO2 ZINC000080958678 441212559 /nfs/dbraw/zinc/21/25/59/441212559.db2.gz MNEBXOIZGNCCJN-CQSZACIVSA-N 2 2 348.447 1.391 20 0 EDADLP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000081263208 441245822 /nfs/dbraw/zinc/24/58/22/441245822.db2.gz HNLMVYJULUUUNQ-UHFFFAOYSA-N 2 2 343.431 1.593 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000072851111 441269383 /nfs/dbraw/zinc/26/93/83/441269383.db2.gz MVBWJVJNUJBOQY-ZDUSSCGKSA-N 2 2 329.404 1.267 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)Cn2cc[nH+]c2)[NH+]2CCOCC2)c1 ZINC000072908630 441276346 /nfs/dbraw/zinc/27/63/46/441276346.db2.gz NLRBMWBPCYSYNR-QGZVFWFLSA-N 2 2 328.416 1.381 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000073044745 441288483 /nfs/dbraw/zinc/28/84/83/441288483.db2.gz UBRLREDFMSKUJN-INIZCTEOSA-N 2 2 334.464 1.645 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)C2=O)cn1 ZINC000081636531 441298237 /nfs/dbraw/zinc/29/82/37/441298237.db2.gz YSFYTBSBSNXTFV-AEFFLSMTSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)C2=O)cn1 ZINC000081636531 441298242 /nfs/dbraw/zinc/29/82/42/441298242.db2.gz YSFYTBSBSNXTFV-AEFFLSMTSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)C2=O)cn1 ZINC000081636531 441298245 /nfs/dbraw/zinc/29/82/45/441298245.db2.gz YSFYTBSBSNXTFV-AEFFLSMTSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)C2=O)cn1 ZINC000081636531 441298247 /nfs/dbraw/zinc/29/82/47/441298247.db2.gz YSFYTBSBSNXTFV-AEFFLSMTSA-N 2 2 345.491 1.579 20 0 EDADLP C[C@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000105931527 441319070 /nfs/dbraw/zinc/31/90/70/441319070.db2.gz WMQITIDBELEVNK-QGZVFWFLSA-N 2 2 341.459 1.206 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cn2c1 ZINC000084076393 441382402 /nfs/dbraw/zinc/38/24/02/441382402.db2.gz NHYRLTVTZUXHDX-SFHVURJKSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCN([C@H]4CCC[N@H+](C)C4)CC3)cn2c1 ZINC000084076393 441382408 /nfs/dbraw/zinc/38/24/08/441382408.db2.gz NHYRLTVTZUXHDX-SFHVURJKSA-N 2 2 327.476 1.855 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)n1C ZINC000074096693 441392241 /nfs/dbraw/zinc/39/22/41/441392241.db2.gz SVKSCROVVKLSKF-QGZVFWFLSA-N 2 2 341.459 1.767 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)n1C ZINC000074096693 441392245 /nfs/dbraw/zinc/39/22/45/441392245.db2.gz SVKSCROVVKLSKF-QGZVFWFLSA-N 2 2 341.459 1.767 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCOC2)CC1 ZINC000106936814 441392809 /nfs/dbraw/zinc/39/28/09/441392809.db2.gz PNUXEBPCCPYQHU-SJLPKXTDSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCOC2)CC1 ZINC000106936814 441392813 /nfs/dbraw/zinc/39/28/13/441392813.db2.gz PNUXEBPCCPYQHU-SJLPKXTDSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000106547570 441354544 /nfs/dbraw/zinc/35/45/44/441354544.db2.gz YGDPNWDLJGAZBL-IAGOWNOFSA-N 2 2 339.528 1.042 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074201682 441407312 /nfs/dbraw/zinc/40/73/12/441407312.db2.gz XCZZHDKOTDZCOI-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000074201682 441407316 /nfs/dbraw/zinc/40/73/16/441407316.db2.gz XCZZHDKOTDZCOI-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000109015056 441484661 /nfs/dbraw/zinc/48/46/61/441484661.db2.gz AAEGHGAVHUXOAG-UHFFFAOYSA-N 2 2 347.507 1.624 20 0 EDADLP COc1ccc([C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)c2[nH+]ccn2C)cc1 ZINC000110046075 441513319 /nfs/dbraw/zinc/51/33/19/441513319.db2.gz DLGOMJJFTZNZMQ-JKSUJKDBSA-N 2 2 328.416 1.729 20 0 EDADLP COc1ccc([C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)c2[nH+]ccn2C)cc1 ZINC000110046075 441513323 /nfs/dbraw/zinc/51/33/23/441513323.db2.gz DLGOMJJFTZNZMQ-JKSUJKDBSA-N 2 2 328.416 1.729 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCNC(=O)C3(C)C)c2cc1C ZINC000066529411 441541547 /nfs/dbraw/zinc/54/15/47/441541547.db2.gz GDUPANIKQFAJLB-AWEZNQCLSA-N 2 2 330.432 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCNC(=O)C3(C)C)c2cc1C ZINC000066529411 441541549 /nfs/dbraw/zinc/54/15/49/441541549.db2.gz GDUPANIKQFAJLB-AWEZNQCLSA-N 2 2 330.432 1.224 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000030989591 441510900 /nfs/dbraw/zinc/51/09/00/441510900.db2.gz QZTAEXWKKYHIPQ-UHFFFAOYSA-N 2 2 327.432 1.847 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F)C(C)C ZINC000076083203 441594823 /nfs/dbraw/zinc/59/48/23/441594823.db2.gz LNVNZSIYTUBVFL-UHFFFAOYSA-N 2 2 335.374 1.975 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F)C(C)C ZINC000076083203 441594827 /nfs/dbraw/zinc/59/48/27/441594827.db2.gz LNVNZSIYTUBVFL-UHFFFAOYSA-N 2 2 335.374 1.975 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926885 441596913 /nfs/dbraw/zinc/59/69/13/441596913.db2.gz LWWNOHOFQQNTGY-HNNXBMFYSA-N 2 2 333.480 1.722 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCC3)ccc2n1C ZINC000076238573 441615505 /nfs/dbraw/zinc/61/55/05/441615505.db2.gz IOPAKMSROJJICO-GFCCVEGCSA-N 2 2 343.431 1.421 20 0 EDADLP C[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000114379108 441651043 /nfs/dbraw/zinc/65/10/43/441651043.db2.gz MGQPBHOEASBDPP-QGZVFWFLSA-N 2 2 332.492 1.118 20 0 EDADLP C[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000114379108 441651046 /nfs/dbraw/zinc/65/10/46/441651046.db2.gz MGQPBHOEASBDPP-QGZVFWFLSA-N 2 2 332.492 1.118 20 0 EDADLP C[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000114379108 441651048 /nfs/dbraw/zinc/65/10/48/441651048.db2.gz MGQPBHOEASBDPP-QGZVFWFLSA-N 2 2 332.492 1.118 20 0 EDADLP C[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000114379108 441651051 /nfs/dbraw/zinc/65/10/51/441651051.db2.gz MGQPBHOEASBDPP-QGZVFWFLSA-N 2 2 332.492 1.118 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C2 ZINC000091315117 441695012 /nfs/dbraw/zinc/69/50/12/441695012.db2.gz BGSSQSJROZCTEC-GXTWGEPZSA-N 2 2 334.445 1.505 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000173640723 441811911 /nfs/dbraw/zinc/81/19/11/441811911.db2.gz LURHMTNPZXFVJB-CQSZACIVSA-N 2 2 337.439 1.531 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124267769 441914100 /nfs/dbraw/zinc/91/41/00/441914100.db2.gz UODPHDFRMLAAQF-UHFFFAOYSA-N 2 2 343.431 1.546 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124267769 441914105 /nfs/dbraw/zinc/91/41/05/441914105.db2.gz UODPHDFRMLAAQF-UHFFFAOYSA-N 2 2 343.431 1.546 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000174549138 441937185 /nfs/dbraw/zinc/93/71/85/441937185.db2.gz MTWCAAWIAJJOEU-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000174549138 441937188 /nfs/dbraw/zinc/93/71/88/441937188.db2.gz MTWCAAWIAJJOEU-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000174549138 441937191 /nfs/dbraw/zinc/93/71/91/441937191.db2.gz MTWCAAWIAJJOEU-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000078625075 441954699 /nfs/dbraw/zinc/95/46/99/441954699.db2.gz HJVQANZPNZATPG-UHFFFAOYSA-N 2 2 331.464 1.688 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)on1 ZINC000174881001 441978858 /nfs/dbraw/zinc/97/88/58/441978858.db2.gz FYBSQAMWKXNGES-OAHLLOKOSA-N 2 2 335.452 1.023 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)on1 ZINC000174881001 441978863 /nfs/dbraw/zinc/97/88/63/441978863.db2.gz FYBSQAMWKXNGES-OAHLLOKOSA-N 2 2 335.452 1.023 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NCCc1ccc(F)cc1 ZINC000150861107 441964363 /nfs/dbraw/zinc/96/43/63/441964363.db2.gz GVRZBZKNHAWQPS-QGZVFWFLSA-N 2 2 333.451 1.902 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NCCc1ccc(F)cc1 ZINC000150861107 441964369 /nfs/dbraw/zinc/96/43/69/441964369.db2.gz GVRZBZKNHAWQPS-QGZVFWFLSA-N 2 2 333.451 1.902 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079060023 442014337 /nfs/dbraw/zinc/01/43/37/442014337.db2.gz XCSDEXDOMXWRLK-OAHLLOKOSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079060023 442014341 /nfs/dbraw/zinc/01/43/41/442014341.db2.gz XCSDEXDOMXWRLK-OAHLLOKOSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000079296477 442036930 /nfs/dbraw/zinc/03/69/30/442036930.db2.gz LZQHMHNYYXRNCT-QGZVFWFLSA-N 2 2 345.491 1.783 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000162432182 442092501 /nfs/dbraw/zinc/09/25/01/442092501.db2.gz JJBCKPBWWICNPC-KRWDZBQOSA-N 2 2 335.423 1.443 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000162432182 442092507 /nfs/dbraw/zinc/09/25/07/442092507.db2.gz JJBCKPBWWICNPC-KRWDZBQOSA-N 2 2 335.423 1.443 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000120555871 442093689 /nfs/dbraw/zinc/09/36/89/442093689.db2.gz HDERGLAZLJSBIE-CQSZACIVSA-N 2 2 346.431 1.506 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858092 442057949 /nfs/dbraw/zinc/05/79/49/442057949.db2.gz UQNBEAJCPKFCFA-GOSISDBHSA-N 2 2 345.487 1.933 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858092 442057955 /nfs/dbraw/zinc/05/79/55/442057955.db2.gz UQNBEAJCPKFCFA-GOSISDBHSA-N 2 2 345.487 1.933 20 0 EDADLP CO[C@@H](C)c1noc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000162188172 442071267 /nfs/dbraw/zinc/07/12/67/442071267.db2.gz UAVDKDOAWBQNMS-ZDUSSCGKSA-N 2 2 325.457 1.235 20 0 EDADLP CO[C@@H](C)c1noc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000162188172 442071270 /nfs/dbraw/zinc/07/12/70/442071270.db2.gz UAVDKDOAWBQNMS-ZDUSSCGKSA-N 2 2 325.457 1.235 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1OC(F)(F)F ZINC000120462717 442076532 /nfs/dbraw/zinc/07/65/32/442076532.db2.gz BLBPPSPQERPMSO-UHFFFAOYSA-N 2 2 345.365 1.791 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1OC(F)(F)F ZINC000120462717 442076539 /nfs/dbraw/zinc/07/65/39/442076539.db2.gz BLBPPSPQERPMSO-UHFFFAOYSA-N 2 2 345.365 1.791 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000175761332 442117785 /nfs/dbraw/zinc/11/77/85/442117785.db2.gz IPBRNOPNNQCILE-CVEARBPZSA-N 2 2 342.447 1.939 20 0 EDADLP Cn1nccc1CCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000126592062 442124305 /nfs/dbraw/zinc/12/43/05/442124305.db2.gz DLBNQCXYLOVGMY-UHFFFAOYSA-N 2 2 347.507 1.419 20 0 EDADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000162986688 442136214 /nfs/dbraw/zinc/13/62/14/442136214.db2.gz GNTCJIZQGCLKIM-HRCADAONSA-N 2 2 332.448 1.133 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000079980071 442102812 /nfs/dbraw/zinc/10/28/12/442102812.db2.gz ALLFDJSIJURGHS-UHFFFAOYSA-N 2 2 339.403 1.662 20 0 EDADLP Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000121095315 442176689 /nfs/dbraw/zinc/17/66/89/442176689.db2.gz VBIYQEYHUCRRCJ-QGZVFWFLSA-N 2 2 333.501 1.859 20 0 EDADLP Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000121095315 442176692 /nfs/dbraw/zinc/17/66/92/442176692.db2.gz VBIYQEYHUCRRCJ-QGZVFWFLSA-N 2 2 333.501 1.859 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000127424838 442201572 /nfs/dbraw/zinc/20/15/72/442201572.db2.gz HSFWTKYKBYZVTK-KRWDZBQOSA-N 2 2 345.491 1.783 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1 ZINC000097000061 442154499 /nfs/dbraw/zinc/15/44/99/442154499.db2.gz WXQAFJZNAPSNMS-UHFFFAOYSA-N 2 2 339.505 1.474 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1 ZINC000097000061 442154501 /nfs/dbraw/zinc/15/45/01/442154501.db2.gz WXQAFJZNAPSNMS-UHFFFAOYSA-N 2 2 339.505 1.474 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CCCC2)no1 ZINC000166157121 442214006 /nfs/dbraw/zinc/21/40/06/442214006.db2.gz ARSBCPPLEITZMM-ZIAGYGMSSA-N 2 2 349.479 1.924 20 0 EDADLP CC(C)[N@H+]1C[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)[C@@H](C)C1 ZINC000176583893 442236891 /nfs/dbraw/zinc/23/68/91/442236891.db2.gz QQGRVHNCCGEDTG-GJZGRUSLSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@@H+]1C[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)[C@@H](C)C1 ZINC000176583893 442236893 /nfs/dbraw/zinc/23/68/93/442236893.db2.gz QQGRVHNCCGEDTG-GJZGRUSLSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[NH+]1C[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)[C@@H](C)C1 ZINC000176583893 442236897 /nfs/dbraw/zinc/23/68/97/442236897.db2.gz QQGRVHNCCGEDTG-GJZGRUSLSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[NH+]1C[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)[C@@H](C)C1 ZINC000176583893 442236899 /nfs/dbraw/zinc/23/68/99/442236899.db2.gz QQGRVHNCCGEDTG-GJZGRUSLSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000176678777 442246335 /nfs/dbraw/zinc/24/63/35/442246335.db2.gz QTDSIKFDEVQLCR-UHFFFAOYSA-N 2 2 344.459 1.882 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000170919067 442288797 /nfs/dbraw/zinc/28/87/97/442288797.db2.gz IQJFIZNNOJIRKG-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000170919067 442288799 /nfs/dbraw/zinc/28/87/99/442288799.db2.gz IQJFIZNNOJIRKG-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CSCCS3)CC2)CC1 ZINC000177061950 442292528 /nfs/dbraw/zinc/29/25/28/442292528.db2.gz GSKBPYXCXPNYDC-OAHLLOKOSA-N 2 2 343.562 1.510 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000171192349 442324910 /nfs/dbraw/zinc/32/49/10/442324910.db2.gz QJDKTSPGTUBKHB-AWEZNQCLSA-N 2 2 331.395 1.905 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000171192349 442324911 /nfs/dbraw/zinc/32/49/11/442324911.db2.gz QJDKTSPGTUBKHB-AWEZNQCLSA-N 2 2 331.395 1.905 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000154327921 442332819 /nfs/dbraw/zinc/33/28/19/442332819.db2.gz HNVQEAOHCUATEP-DOMZBBRYSA-N 2 2 329.466 1.021 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000171400788 442345465 /nfs/dbraw/zinc/34/54/65/442345465.db2.gz YIFPKAKHWIOCGY-DLBZAZTESA-N 2 2 333.501 1.987 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000171400788 442345467 /nfs/dbraw/zinc/34/54/67/442345467.db2.gz YIFPKAKHWIOCGY-DLBZAZTESA-N 2 2 333.501 1.987 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177486260 442349002 /nfs/dbraw/zinc/34/90/02/442349002.db2.gz LEKGPYWUWKCSHI-QGZVFWFLSA-N 2 2 349.479 1.558 20 0 EDADLP CCC[NH+]1CCC([NH2+]CCS(=O)(=O)NCc2ccccc2)CC1 ZINC000177768205 442381462 /nfs/dbraw/zinc/38/14/62/442381462.db2.gz NGRNVBMKNFTPMO-UHFFFAOYSA-N 2 2 339.505 1.570 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000625495521 450392556 /nfs/dbraw/zinc/39/25/56/450392556.db2.gz IDPLHRVAHFNVQT-QWQRMKEZSA-N 2 2 344.463 1.200 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)C[C@H](C)O1 ZINC000625495521 450392557 /nfs/dbraw/zinc/39/25/57/450392557.db2.gz IDPLHRVAHFNVQT-QWQRMKEZSA-N 2 2 344.463 1.200 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000177842098 442389896 /nfs/dbraw/zinc/38/98/96/442389896.db2.gz RUXQOBWXLGDLJX-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000177842098 442389898 /nfs/dbraw/zinc/38/98/98/442389898.db2.gz RUXQOBWXLGDLJX-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP CCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000154770233 442356356 /nfs/dbraw/zinc/35/63/56/442356356.db2.gz DNVNFZHPHPXLHT-KRWDZBQOSA-N 2 2 345.491 1.052 20 0 EDADLP CCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000154770233 442356359 /nfs/dbraw/zinc/35/63/59/442356359.db2.gz DNVNFZHPHPXLHT-KRWDZBQOSA-N 2 2 345.491 1.052 20 0 EDADLP C[C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCSCC1 ZINC000131021376 442362381 /nfs/dbraw/zinc/36/23/81/442362381.db2.gz BFLDCQIYMHDXNR-OAHLLOKOSA-N 2 2 344.484 1.985 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000178091328 442406625 /nfs/dbraw/zinc/40/66/25/442406625.db2.gz PXXHGOFEBYOOJE-SFHVURJKSA-N 2 2 331.460 1.299 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000178091328 442406629 /nfs/dbraw/zinc/40/66/29/442406629.db2.gz PXXHGOFEBYOOJE-SFHVURJKSA-N 2 2 331.460 1.299 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+]1CCSCC1 ZINC000133463436 442419139 /nfs/dbraw/zinc/41/91/39/442419139.db2.gz SFKRELYETMYPAJ-CYBMUJFWSA-N 2 2 339.480 1.941 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000155718775 442421667 /nfs/dbraw/zinc/42/16/67/442421667.db2.gz ZVFKXVBTHXBDCN-FMKPAKJESA-N 2 2 339.505 1.953 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000155992370 442441348 /nfs/dbraw/zinc/44/13/48/442441348.db2.gz OIXWLGLTCGQGBV-HNNXBMFYSA-N 2 2 332.448 1.827 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000155992370 442441350 /nfs/dbraw/zinc/44/13/50/442441350.db2.gz OIXWLGLTCGQGBV-HNNXBMFYSA-N 2 2 332.448 1.827 20 0 EDADLP C[C@H]1CSCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172374916 442451820 /nfs/dbraw/zinc/45/18/20/442451820.db2.gz LYRJIRRGEXFNIG-AWEZNQCLSA-N 2 2 340.537 1.692 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156500167 442487015 /nfs/dbraw/zinc/48/70/15/442487015.db2.gz HJNVVOZVKASAKP-ILXRZTDVSA-N 2 2 335.452 1.636 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156500167 442487018 /nfs/dbraw/zinc/48/70/18/442487018.db2.gz HJNVVOZVKASAKP-ILXRZTDVSA-N 2 2 335.452 1.636 20 0 EDADLP Cc1ccc(NCCCNC(=O)NC[C@H](C)C[NH+]2CCOCC2)[nH+]c1 ZINC000156571854 442496598 /nfs/dbraw/zinc/49/65/98/442496598.db2.gz MZOOHOPHNQDIDZ-INIZCTEOSA-N 2 2 349.479 1.460 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134284325 442464145 /nfs/dbraw/zinc/46/41/45/442464145.db2.gz UWIJJLOZPBIHEN-OAHLLOKOSA-N 3 2 343.479 1.159 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000178765569 442478468 /nfs/dbraw/zinc/47/84/68/442478468.db2.gz GMDLBRXNYVWYSY-HKUYNNGSSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000178765569 442478472 /nfs/dbraw/zinc/47/84/72/442478472.db2.gz GMDLBRXNYVWYSY-HKUYNNGSSA-N 2 2 346.519 1.992 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000178884054 442513619 /nfs/dbraw/zinc/51/36/19/442513619.db2.gz ASTSBILIKDBKJA-CYBMUJFWSA-N 2 2 328.507 1.176 20 0 EDADLP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000179089212 442569199 /nfs/dbraw/zinc/56/91/99/442569199.db2.gz WCIPWPILYWLDHY-HOTGVXAUSA-N 2 2 335.448 1.159 20 0 EDADLP C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000179089212 442569204 /nfs/dbraw/zinc/56/92/04/442569204.db2.gz WCIPWPILYWLDHY-HOTGVXAUSA-N 2 2 335.448 1.159 20 0 EDADLP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000179089244 442569227 /nfs/dbraw/zinc/56/92/27/442569227.db2.gz WCIPWPILYWLDHY-HZPDHXFCSA-N 2 2 335.448 1.159 20 0 EDADLP C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000179089244 442569233 /nfs/dbraw/zinc/56/92/33/442569233.db2.gz WCIPWPILYWLDHY-HZPDHXFCSA-N 2 2 335.448 1.159 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000192032825 442575086 /nfs/dbraw/zinc/57/50/86/442575086.db2.gz MOPBCGSDJKEPAW-RDJZCZTQSA-N 2 2 337.851 1.534 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000179169953 442588492 /nfs/dbraw/zinc/58/84/92/442588492.db2.gz MNUCTOUGYNOPNT-RHSMWYFYSA-N 2 2 348.491 1.704 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000179169953 442588499 /nfs/dbraw/zinc/58/84/99/442588499.db2.gz MNUCTOUGYNOPNT-RHSMWYFYSA-N 2 2 348.491 1.704 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000179169953 442588502 /nfs/dbraw/zinc/58/85/02/442588502.db2.gz MNUCTOUGYNOPNT-RHSMWYFYSA-N 2 2 348.491 1.704 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC(=O)NC1CCCC1 ZINC000179169953 442588508 /nfs/dbraw/zinc/58/85/08/442588508.db2.gz MNUCTOUGYNOPNT-RHSMWYFYSA-N 2 2 348.491 1.704 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000186728836 442602678 /nfs/dbraw/zinc/60/26/78/442602678.db2.gz NMKLPRNHKPHMAF-APWZRJJASA-N 2 2 344.459 1.993 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCS1 ZINC000192173499 442608111 /nfs/dbraw/zinc/60/81/11/442608111.db2.gz PBFVCAFZHNSXCA-HNNXBMFYSA-N 2 2 337.489 1.751 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCS1 ZINC000192173499 442608116 /nfs/dbraw/zinc/60/81/16/442608116.db2.gz PBFVCAFZHNSXCA-HNNXBMFYSA-N 2 2 337.489 1.751 20 0 EDADLP CC(C)[C@H](O)C(C)(C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179303260 442616841 /nfs/dbraw/zinc/61/68/41/442616841.db2.gz QWYFWWHIDVYCGY-INIZCTEOSA-N 2 2 342.528 1.355 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192662332 442674183 /nfs/dbraw/zinc/67/41/83/442674183.db2.gz RDOFMQGHUPKRSL-SFHVURJKSA-N 2 2 339.399 1.355 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192662332 442674185 /nfs/dbraw/zinc/67/41/85/442674185.db2.gz RDOFMQGHUPKRSL-SFHVURJKSA-N 2 2 339.399 1.355 20 0 EDADLP CCC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccn1 ZINC000181029561 442676040 /nfs/dbraw/zinc/67/60/40/442676040.db2.gz AISRHHHBPHSVOZ-WMZOPIPTSA-N 2 2 346.475 1.446 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCN(CCO)[C@H](C)C3)c2cc1C ZINC000187690838 442686546 /nfs/dbraw/zinc/68/65/46/442686546.db2.gz XYNLAZQIWCSTBL-SJORKVTESA-N 2 2 346.475 1.012 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCN(CCO)[C@H](C)C3)c2cc1C ZINC000187690838 442686547 /nfs/dbraw/zinc/68/65/47/442686547.db2.gz XYNLAZQIWCSTBL-SJORKVTESA-N 2 2 346.475 1.012 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCC(=O)OC(C)(C)C ZINC000181919382 442721828 /nfs/dbraw/zinc/72/18/28/442721828.db2.gz GICFCUFLQOMUNQ-AWEZNQCLSA-N 2 2 327.469 1.251 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCC(=O)OC(C)(C)C ZINC000181919382 442721831 /nfs/dbraw/zinc/72/18/31/442721831.db2.gz GICFCUFLQOMUNQ-AWEZNQCLSA-N 2 2 327.469 1.251 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NCC(=O)OC(C)(C)C ZINC000181919382 442721833 /nfs/dbraw/zinc/72/18/33/442721833.db2.gz GICFCUFLQOMUNQ-AWEZNQCLSA-N 2 2 327.469 1.251 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NCC(=O)OC(C)(C)C ZINC000181919382 442721836 /nfs/dbraw/zinc/72/18/36/442721836.db2.gz GICFCUFLQOMUNQ-AWEZNQCLSA-N 2 2 327.469 1.251 20 0 EDADLP C[N@H+](CC(=O)N1CCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188263323 442730944 /nfs/dbraw/zinc/73/09/44/442730944.db2.gz NWTIJYKMALXEIG-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP C[N@@H+](CC(=O)N1CCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188263323 442730947 /nfs/dbraw/zinc/73/09/47/442730947.db2.gz NWTIJYKMALXEIG-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP C[NH+](CC(=O)N1CCCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188263323 442730949 /nfs/dbraw/zinc/73/09/49/442730949.db2.gz NWTIJYKMALXEIG-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP C[NH+](CC(=O)N1CCCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188263323 442730950 /nfs/dbraw/zinc/73/09/50/442730950.db2.gz NWTIJYKMALXEIG-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)cn1 ZINC000182113037 442737236 /nfs/dbraw/zinc/73/72/36/442737236.db2.gz GZISCRWNYSPMRL-QGZVFWFLSA-N 2 2 327.432 1.154 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)cn1 ZINC000182113037 442737237 /nfs/dbraw/zinc/73/72/37/442737237.db2.gz GZISCRWNYSPMRL-QGZVFWFLSA-N 2 2 327.432 1.154 20 0 EDADLP C[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1CC(C)(C)O ZINC000188707326 442793483 /nfs/dbraw/zinc/79/34/83/442793483.db2.gz HFWFEEFRHXFGSW-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1CC(C)(C)O ZINC000188707326 442793488 /nfs/dbraw/zinc/79/34/88/442793488.db2.gz HFWFEEFRHXFGSW-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C2CC[NH2+]CC2)[NH+]2CCOCC2)s1 ZINC000182415165 442765428 /nfs/dbraw/zinc/76/54/28/442765428.db2.gz QJBPQQXSEWCONY-OAHLLOKOSA-N 2 2 337.489 1.546 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246270964 442769064 /nfs/dbraw/zinc/76/90/64/442769064.db2.gz AENLVLNKLLYGHI-HLLBOEOZSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246270964 442769068 /nfs/dbraw/zinc/76/90/68/442769068.db2.gz AENLVLNKLLYGHI-HLLBOEOZSA-N 2 2 328.460 1.921 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000246436412 442781810 /nfs/dbraw/zinc/78/18/10/442781810.db2.gz CWTHASDRZBRCKV-IRXDYDNUSA-N 2 2 345.491 1.074 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000246436412 442781814 /nfs/dbraw/zinc/78/18/14/442781814.db2.gz CWTHASDRZBRCKV-IRXDYDNUSA-N 2 2 345.491 1.074 20 0 EDADLP C[N@H+]([C@@H]1Cc2ccccc2[C@@H]1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000182754840 442819071 /nfs/dbraw/zinc/81/90/71/442819071.db2.gz OGGCPIKDAFEBNM-UXHICEINSA-N 2 2 340.471 1.938 20 0 EDADLP C[N@@H+]([C@@H]1Cc2ccccc2[C@@H]1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000182754840 442819076 /nfs/dbraw/zinc/81/90/76/442819076.db2.gz OGGCPIKDAFEBNM-UXHICEINSA-N 2 2 340.471 1.938 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)c1 ZINC000182752339 442819171 /nfs/dbraw/zinc/81/91/71/442819171.db2.gz VWUMWJXFHAKHLV-HKUYNNGSSA-N 2 2 325.412 1.871 20 0 EDADLP Cn1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000179599102 318460664 /nfs/dbraw/zinc/46/06/64/318460664.db2.gz KYRDCAVPQTZXOJ-UHFFFAOYSA-N 2 2 333.524 1.931 20 0 EDADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182960504 442855046 /nfs/dbraw/zinc/85/50/46/442855046.db2.gz VXIJXYNQDSGVMS-KRWDZBQOSA-N 2 2 344.503 1.534 20 0 EDADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182960504 442855050 /nfs/dbraw/zinc/85/50/50/442855050.db2.gz VXIJXYNQDSGVMS-KRWDZBQOSA-N 2 2 344.503 1.534 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265776926 442917285 /nfs/dbraw/zinc/91/72/85/442917285.db2.gz FZVZSHFBMXFUOU-UHFFFAOYSA-N 2 2 342.443 1.844 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000265808047 442928930 /nfs/dbraw/zinc/92/89/30/442928930.db2.gz LRQZFTZUANQPTO-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000265808047 442928934 /nfs/dbraw/zinc/92/89/34/442928934.db2.gz LRQZFTZUANQPTO-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP C[C@H]1COCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248879151 442933614 /nfs/dbraw/zinc/93/36/14/442933614.db2.gz RRGFRYPCPVAYSC-AQDBYXPISA-N 2 2 335.492 1.428 20 0 EDADLP C[C@H]1COCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248879151 442933617 /nfs/dbraw/zinc/93/36/17/442933617.db2.gz RRGFRYPCPVAYSC-AQDBYXPISA-N 2 2 335.492 1.428 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000189443039 442954635 /nfs/dbraw/zinc/95/46/35/442954635.db2.gz WZLRWAPAVWKTOH-LJQANCHMSA-N 2 2 345.487 1.880 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000189443039 442954639 /nfs/dbraw/zinc/95/46/39/442954639.db2.gz WZLRWAPAVWKTOH-LJQANCHMSA-N 2 2 345.487 1.880 20 0 EDADLP O=C(NCC[NH+]1CCCOCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000189443039 442954642 /nfs/dbraw/zinc/95/46/42/442954642.db2.gz WZLRWAPAVWKTOH-LJQANCHMSA-N 2 2 345.487 1.880 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C1 ZINC000189699972 442995688 /nfs/dbraw/zinc/99/56/88/442995688.db2.gz MUXSYNWKIZKMMJ-YOEHRIQHSA-N 2 2 337.489 1.303 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C1 ZINC000189699972 442995692 /nfs/dbraw/zinc/99/56/92/442995692.db2.gz MUXSYNWKIZKMMJ-YOEHRIQHSA-N 2 2 337.489 1.303 20 0 EDADLP C[N@@H+]1CCN(Cc2cc(Br)cc3c2OCC3)[C@H](C[NH3+])C1 ZINC000252796645 443048393 /nfs/dbraw/zinc/04/83/93/443048393.db2.gz GWQXYECCZHHJBJ-CQSZACIVSA-N 2 2 340.265 1.459 20 0 EDADLP C[N@H+]1CCN(Cc2cc(Br)cc3c2OCC3)[C@H](C[NH3+])C1 ZINC000252796645 443048396 /nfs/dbraw/zinc/04/83/96/443048396.db2.gz GWQXYECCZHHJBJ-CQSZACIVSA-N 2 2 340.265 1.459 20 0 EDADLP C[NH+](C)C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000195355269 443012862 /nfs/dbraw/zinc/01/28/62/443012862.db2.gz PFHZQBWWNMZSHO-UHFFFAOYSA-N 3 2 345.491 1.146 20 0 EDADLP CCc1onc(C)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000184355787 443015448 /nfs/dbraw/zinc/01/54/48/443015448.db2.gz JULYMEKGXKZIHT-UHFFFAOYSA-N 2 2 334.464 1.834 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000190165540 443065313 /nfs/dbraw/zinc/06/53/13/443065313.db2.gz GDXGQJMJYTVOAT-IAGOWNOFSA-N 2 2 340.512 1.613 20 0 EDADLP Cc1nn(C)cc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190316870 443084407 /nfs/dbraw/zinc/08/44/07/443084407.db2.gz GQCYTXLHSSUBIB-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP Cc1nn(C)cc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190316870 443084411 /nfs/dbraw/zinc/08/44/11/443084411.db2.gz GQCYTXLHSSUBIB-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP Cc1nn(C)cc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190316870 443084413 /nfs/dbraw/zinc/08/44/13/443084413.db2.gz GQCYTXLHSSUBIB-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP Cc1nn(C)cc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190316870 443084416 /nfs/dbraw/zinc/08/44/16/443084416.db2.gz GQCYTXLHSSUBIB-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)CC1 ZINC000268877886 443134453 /nfs/dbraw/zinc/13/44/53/443134453.db2.gz JHORAAOVIWVFHJ-SFHVURJKSA-N 2 2 328.460 1.899 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]([NH3+])CC(C)C)[NH+]2CCOCC2)c1 ZINC000236722844 443145192 /nfs/dbraw/zinc/14/51/92/443145192.db2.gz RGJCQSUPINIARD-MSOLQXFVSA-N 2 2 333.476 1.858 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)c1c(F)cccc1F ZINC000237191994 443163492 /nfs/dbraw/zinc/16/34/92/443163492.db2.gz DONOUNZQCYBDLY-IUODEOHRSA-N 2 2 341.402 1.452 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)c1ccccc1OCC[NH+](C)C ZINC000268991872 443167702 /nfs/dbraw/zinc/16/77/02/443167702.db2.gz ONEFCRWQIANUCR-UHFFFAOYSA-N 2 2 330.432 1.986 20 0 EDADLP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237969617 443189941 /nfs/dbraw/zinc/18/99/41/443189941.db2.gz HQWRBDDGHISSPN-JWTNVVGKSA-N 2 2 329.444 1.532 20 0 EDADLP C[C@@H]1OCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000268951454 443157619 /nfs/dbraw/zinc/15/76/19/443157619.db2.gz CLIYYLDELLXJPM-IRXDYDNUSA-N 2 2 331.460 1.440 20 0 EDADLP [NH3+][C@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000269189629 443226955 /nfs/dbraw/zinc/22/69/55/443226955.db2.gz VXDLXALQKKAMSC-LJQANCHMSA-N 2 2 339.439 1.949 20 0 EDADLP C[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000266792929 443243891 /nfs/dbraw/zinc/24/38/91/443243891.db2.gz YDUQDKSUXDTXBP-SFHVURJKSA-N 2 2 346.519 1.603 20 0 EDADLP C[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000266792929 443243896 /nfs/dbraw/zinc/24/38/96/443243896.db2.gz YDUQDKSUXDTXBP-SFHVURJKSA-N 2 2 346.519 1.603 20 0 EDADLP C[C@@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000266792929 443243899 /nfs/dbraw/zinc/24/38/99/443243899.db2.gz YDUQDKSUXDTXBP-SFHVURJKSA-N 2 2 346.519 1.603 20 0 EDADLP C[C@@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000266792929 443243903 /nfs/dbraw/zinc/24/39/03/443243903.db2.gz YDUQDKSUXDTXBP-SFHVURJKSA-N 2 2 346.519 1.603 20 0 EDADLP C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@H]3CCc4[nH+]ccn4C3)n1)OC2 ZINC000350342973 319048009 /nfs/dbraw/zinc/04/80/09/319048009.db2.gz URNRLCPKRWSEOC-OGHNNQOOSA-N 2 2 329.404 1.922 20 0 EDADLP C[C@]12CCC[N@H+]1C[C@H](c1noc([C@H]3CCc4[nH+]ccn4C3)n1)OC2 ZINC000350342973 319048011 /nfs/dbraw/zinc/04/80/11/319048011.db2.gz URNRLCPKRWSEOC-OGHNNQOOSA-N 2 2 329.404 1.922 20 0 EDADLP O=C(C[C@@H]1C[NH2+]CCO1)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000269242065 443247285 /nfs/dbraw/zinc/24/72/85/443247285.db2.gz BGQASNHLBNQABM-QGZVFWFLSA-N 2 2 342.443 1.511 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415741868 319369038 /nfs/dbraw/zinc/36/90/38/319369038.db2.gz KHVXOCJJFWEHBD-LRDDRELGSA-N 2 2 340.383 1.761 20 0 EDADLP CCOC1CC(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000191296224 443274382 /nfs/dbraw/zinc/27/43/82/443274382.db2.gz ZPVSCXSIEUGPJL-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)(C)n1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nn1 ZINC000191358008 443284100 /nfs/dbraw/zinc/28/41/00/443284100.db2.gz HYNUZEMQPNICIG-SJORKVTESA-N 2 2 335.496 1.891 20 0 EDADLP C[C@@H](c1cccc(NC(=O)C[C@H]2C[NH2+]CCO2)c1)[NH+]1CCOCC1 ZINC000269276503 443263184 /nfs/dbraw/zinc/26/31/84/443263184.db2.gz XLVUJMJNHBSOFJ-YOEHRIQHSA-N 2 2 333.432 1.397 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000266979264 443308044 /nfs/dbraw/zinc/30/80/44/443308044.db2.gz FEAHSIVLOMEZHU-QZTJIDSGSA-N 2 2 349.450 1.627 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000266979264 443308046 /nfs/dbraw/zinc/30/80/46/443308046.db2.gz FEAHSIVLOMEZHU-QZTJIDSGSA-N 2 2 349.450 1.627 20 0 EDADLP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000266979264 443308048 /nfs/dbraw/zinc/30/80/48/443308048.db2.gz FEAHSIVLOMEZHU-QZTJIDSGSA-N 2 2 349.450 1.627 20 0 EDADLP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000266979264 443308051 /nfs/dbraw/zinc/30/80/51/443308051.db2.gz FEAHSIVLOMEZHU-QZTJIDSGSA-N 2 2 349.450 1.627 20 0 EDADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282390886 443324561 /nfs/dbraw/zinc/32/45/61/443324561.db2.gz DNLQXUJMVRWWSY-MRXNPFEDSA-N 2 2 346.475 1.722 20 0 EDADLP CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282390886 443324566 /nfs/dbraw/zinc/32/45/66/443324566.db2.gz DNLQXUJMVRWWSY-MRXNPFEDSA-N 2 2 346.475 1.722 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000417273451 319489288 /nfs/dbraw/zinc/48/92/88/319489288.db2.gz SOWYYKVJVCPBES-INIZCTEOSA-N 2 2 344.525 1.011 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000417277154 319490307 /nfs/dbraw/zinc/49/03/07/319490307.db2.gz XAXMUNXTOVVFGN-GDBMZVCRSA-N 2 2 344.525 1.011 20 0 EDADLP C[C@@]1(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC[NH2+]C1 ZINC000417468094 319495306 /nfs/dbraw/zinc/49/53/06/319495306.db2.gz NRBBBKPCRWKTGM-CYBMUJFWSA-N 2 2 333.358 1.634 20 0 EDADLP Cc1cc2c(cc1C)[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CO2 ZINC000186029054 443299839 /nfs/dbraw/zinc/29/98/39/443299839.db2.gz DYLAJMSRWRSHHS-SFHVURJKSA-N 2 2 345.487 1.922 20 0 EDADLP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000272611943 443382541 /nfs/dbraw/zinc/38/25/41/443382541.db2.gz SJVZJRYFFZIRBG-CABCVRRESA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000272611943 443382546 /nfs/dbraw/zinc/38/25/46/443382546.db2.gz SJVZJRYFFZIRBG-CABCVRRESA-N 2 2 337.489 1.095 20 0 EDADLP Cc1cc(C)n(-c2ccc(NCC[NH+]3CCC([NH+](C)C)CC3)nn2)n1 ZINC000267252710 443393590 /nfs/dbraw/zinc/39/35/90/443393590.db2.gz ZUTUXBUITKQPLT-UHFFFAOYSA-N 2 2 343.479 1.717 20 0 EDADLP CC(C)C(=O)NCC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278530168 443354918 /nfs/dbraw/zinc/35/49/18/443354918.db2.gz DXZMTUIQFOIBRO-LJQANCHMSA-N 2 2 347.503 1.982 20 0 EDADLP CC(C)C(=O)NCC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278530168 443354922 /nfs/dbraw/zinc/35/49/22/443354922.db2.gz DXZMTUIQFOIBRO-LJQANCHMSA-N 2 2 347.503 1.982 20 0 EDADLP CC(C)C(=O)NCC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278530168 443354927 /nfs/dbraw/zinc/35/49/27/443354927.db2.gz DXZMTUIQFOIBRO-LJQANCHMSA-N 2 2 347.503 1.982 20 0 EDADLP CC(C)C(=O)NCC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278530168 443354928 /nfs/dbraw/zinc/35/49/28/443354928.db2.gz DXZMTUIQFOIBRO-LJQANCHMSA-N 2 2 347.503 1.982 20 0 EDADLP CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267383094 443438507 /nfs/dbraw/zinc/43/85/07/443438507.db2.gz NBPXAAYFRSSOSE-QGZVFWFLSA-N 2 2 348.447 1.502 20 0 EDADLP CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267383094 443438512 /nfs/dbraw/zinc/43/85/12/443438512.db2.gz NBPXAAYFRSSOSE-QGZVFWFLSA-N 2 2 348.447 1.502 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]cn1 ZINC000264937307 443483721 /nfs/dbraw/zinc/48/37/21/443483721.db2.gz RCJULRHIIJHGRO-CQSZACIVSA-N 2 2 328.420 1.545 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc[nH+]1 ZINC000264937307 443483724 /nfs/dbraw/zinc/48/37/24/443483724.db2.gz RCJULRHIIJHGRO-CQSZACIVSA-N 2 2 328.420 1.545 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000278998817 443485636 /nfs/dbraw/zinc/48/56/36/443485636.db2.gz QZWYPWZSTXMJDS-KRWDZBQOSA-N 2 2 328.464 1.510 20 0 EDADLP C[N@H+](CCNC(=O)N1CCC[NH+](Cc2cscn2)CC1)C1CC1 ZINC000264866263 443459248 /nfs/dbraw/zinc/45/92/48/443459248.db2.gz ONANHQYKZCLVRQ-UHFFFAOYSA-N 2 2 337.493 1.455 20 0 EDADLP C[N@@H+](CCNC(=O)N1CCC[NH+](Cc2cscn2)CC1)C1CC1 ZINC000264866263 443459252 /nfs/dbraw/zinc/45/92/52/443459252.db2.gz ONANHQYKZCLVRQ-UHFFFAOYSA-N 2 2 337.493 1.455 20 0 EDADLP C[NH+](CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1)C1CC1 ZINC000264866263 443459255 /nfs/dbraw/zinc/45/92/55/443459255.db2.gz ONANHQYKZCLVRQ-UHFFFAOYSA-N 2 2 337.493 1.455 20 0 EDADLP C[NH+](CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)C1CC1 ZINC000264866263 443459260 /nfs/dbraw/zinc/45/92/60/443459260.db2.gz ONANHQYKZCLVRQ-UHFFFAOYSA-N 2 2 337.493 1.455 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000267460803 443465300 /nfs/dbraw/zinc/46/53/00/443465300.db2.gz UYSZIGDGWRAVPA-ZFWWWQNUSA-N 2 2 348.447 1.389 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000267460803 443465304 /nfs/dbraw/zinc/46/53/04/443465304.db2.gz UYSZIGDGWRAVPA-ZFWWWQNUSA-N 2 2 348.447 1.389 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000272863285 443470826 /nfs/dbraw/zinc/47/08/26/443470826.db2.gz LBDDZWINGZKXFP-CQSZACIVSA-N 2 2 337.493 1.041 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000272863285 443470828 /nfs/dbraw/zinc/47/08/28/443470828.db2.gz LBDDZWINGZKXFP-CQSZACIVSA-N 2 2 337.493 1.041 20 0 EDADLP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000423218054 319756764 /nfs/dbraw/zinc/75/67/64/319756764.db2.gz RGGYPUAMXGRKTO-KBPBESRZSA-N 2 2 333.436 1.051 20 0 EDADLP O=C1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)CN1CC[NH+]1CCOCC1 ZINC000271504895 443505440 /nfs/dbraw/zinc/50/54/40/443505440.db2.gz NQEKAKRNYNSTKL-RDTXWAMCSA-N 2 2 347.434 1.336 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000283043917 443505652 /nfs/dbraw/zinc/50/56/52/443505652.db2.gz IMYLXASYGOUFKQ-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP [NH3+][C@H](C(=O)NCCCC[NH+]1CCOCC1)c1c(F)cccc1F ZINC000423323515 319764178 /nfs/dbraw/zinc/76/41/78/319764178.db2.gz HZGCUPOPTPERIQ-HNNXBMFYSA-N 2 2 327.375 1.193 20 0 EDADLP CS[C@H]1CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000425344028 319832766 /nfs/dbraw/zinc/83/27/66/319832766.db2.gz IPQNGKKNGDMWRM-GJZGRUSLSA-N 2 2 334.489 1.604 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCSC1 ZINC000272291531 443582626 /nfs/dbraw/zinc/58/26/26/443582626.db2.gz HDVXOUQUUWSGHL-INIZCTEOSA-N 2 2 331.445 1.434 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1C ZINC000428477185 319915232 /nfs/dbraw/zinc/91/52/32/319915232.db2.gz DMQDCWFVKUQACT-AWEZNQCLSA-N 2 2 331.420 1.364 20 0 EDADLP Cc1nc2cncc(N3CC[NH+](CC[C@H]4CCCC[N@H+]4C)CC3)n2n1 ZINC000434864329 320004663 /nfs/dbraw/zinc/00/46/63/320004663.db2.gz HWWGQSJJPCENHC-MRXNPFEDSA-N 2 2 343.479 1.429 20 0 EDADLP Cc1nc2cncc(N3CC[NH+](CC[C@H]4CCCC[N@@H+]4C)CC3)n2n1 ZINC000434864329 320004666 /nfs/dbraw/zinc/00/46/66/320004666.db2.gz HWWGQSJJPCENHC-MRXNPFEDSA-N 2 2 343.479 1.429 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC[C@H](C)O)CC1 ZINC000441436431 320095570 /nfs/dbraw/zinc/09/55/70/320095570.db2.gz OMXXRTSZAYDKDE-DLBZAZTESA-N 2 2 333.476 1.595 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CC[C@H](C)O)CC1 ZINC000441436431 320095572 /nfs/dbraw/zinc/09/55/72/320095572.db2.gz OMXXRTSZAYDKDE-DLBZAZTESA-N 2 2 333.476 1.595 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000449284502 320181357 /nfs/dbraw/zinc/18/13/57/320181357.db2.gz OAMGEUAWJMIYKG-GOSISDBHSA-N 2 2 343.475 1.987 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000449284502 320181359 /nfs/dbraw/zinc/18/13/59/320181359.db2.gz OAMGEUAWJMIYKG-GOSISDBHSA-N 2 2 343.475 1.987 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000449393645 320187549 /nfs/dbraw/zinc/18/75/49/320187549.db2.gz MKLZQGQFRZWNNN-HNNXBMFYSA-N 2 2 337.430 1.840 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000449393645 320187552 /nfs/dbraw/zinc/18/75/52/320187552.db2.gz MKLZQGQFRZWNNN-HNNXBMFYSA-N 2 2 337.430 1.840 20 0 EDADLP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCCC[N@@H+]3CCO)cnc21 ZINC000449396511 320188221 /nfs/dbraw/zinc/18/82/21/320188221.db2.gz SCJRMJJZHPKJPH-KRWDZBQOSA-N 2 2 331.464 1.949 20 0 EDADLP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCCC[N@H+]3CCO)cnc21 ZINC000449396511 320188223 /nfs/dbraw/zinc/18/82/23/320188223.db2.gz SCJRMJJZHPKJPH-KRWDZBQOSA-N 2 2 331.464 1.949 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000458596595 320337812 /nfs/dbraw/zinc/33/78/12/320337812.db2.gz OFPGSSHPCXRLOD-QGZVFWFLSA-N 3 2 339.528 1.137 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000458596595 320337813 /nfs/dbraw/zinc/33/78/13/320337813.db2.gz OFPGSSHPCXRLOD-QGZVFWFLSA-N 3 2 339.528 1.137 20 0 EDADLP COC(=O)[C@H](N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1(OC)CCC1 ZINC000459386204 320348033 /nfs/dbraw/zinc/34/80/33/320348033.db2.gz HWXJJPKWWKPJFA-INIZCTEOSA-N 2 2 341.496 1.055 20 0 EDADLP COC(=O)[C@H](N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1(OC)CCC1 ZINC000459386204 320348034 /nfs/dbraw/zinc/34/80/34/320348034.db2.gz HWXJJPKWWKPJFA-INIZCTEOSA-N 2 2 341.496 1.055 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000492771942 320385698 /nfs/dbraw/zinc/38/56/98/320385698.db2.gz SIDDATQRTQXEET-ARJAWSKDSA-N 2 2 332.448 1.774 20 0 EDADLP C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000492858173 320388775 /nfs/dbraw/zinc/38/87/75/320388775.db2.gz FEMZITQGRTUOAH-XITLMJRVSA-N 2 2 339.443 1.750 20 0 EDADLP CNC(=O)[C@@H](C)C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286389831 443703818 /nfs/dbraw/zinc/70/38/18/443703818.db2.gz KUJBIHMJXSYHIH-KRWDZBQOSA-N 2 2 332.492 1.513 20 0 EDADLP CNC(=O)[C@@H](C)C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286389831 443703821 /nfs/dbraw/zinc/70/38/21/443703821.db2.gz KUJBIHMJXSYHIH-KRWDZBQOSA-N 2 2 332.492 1.513 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C[NH+]1CCCCC1 ZINC000298258582 443732703 /nfs/dbraw/zinc/73/27/03/443732703.db2.gz VDVPWENOCYYDQG-AWEZNQCLSA-N 2 2 343.431 1.511 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000527718782 320522753 /nfs/dbraw/zinc/52/27/53/320522753.db2.gz UHPNCPDJWSAYKL-SFHVURJKSA-N 2 2 342.443 1.690 20 0 EDADLP Cn1c[nH+]cc1CC[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000298548721 443797320 /nfs/dbraw/zinc/79/73/20/443797320.db2.gz UKYJARAOEBFBTD-OAHLLOKOSA-N 2 2 340.349 1.972 20 0 EDADLP C[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000298661003 443831896 /nfs/dbraw/zinc/83/18/96/443831896.db2.gz IUMGJIKHYBPWJZ-GOSISDBHSA-N 2 2 346.475 1.407 20 0 EDADLP C[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000298661003 443831899 /nfs/dbraw/zinc/83/18/99/443831899.db2.gz IUMGJIKHYBPWJZ-GOSISDBHSA-N 2 2 346.475 1.407 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2C[N@H+](C)CCN2C)CCO1 ZINC000298569764 443803004 /nfs/dbraw/zinc/80/30/04/443803004.db2.gz WWUFEYMVJFEZRN-AEFFLSMTSA-N 2 2 332.492 1.247 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CCO1 ZINC000298569764 443803006 /nfs/dbraw/zinc/80/30/06/443803006.db2.gz WWUFEYMVJFEZRN-AEFFLSMTSA-N 2 2 332.492 1.247 20 0 EDADLP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000276981410 443883585 /nfs/dbraw/zinc/88/35/85/443883585.db2.gz AELBKPMAAJIVGD-IZZQQSIFSA-N 2 2 345.487 1.565 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H](CO)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000292980170 443894436 /nfs/dbraw/zinc/89/44/36/443894436.db2.gz BGOAIPRWJNANQX-QGZVFWFLSA-N 2 2 346.475 1.215 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H](CO)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000292980170 443894440 /nfs/dbraw/zinc/89/44/40/443894440.db2.gz BGOAIPRWJNANQX-QGZVFWFLSA-N 2 2 346.475 1.215 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](CO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000293189015 443946885 /nfs/dbraw/zinc/94/68/85/443946885.db2.gz QBYVVDIDZJGINU-IBGZPJMESA-N 2 2 345.487 1.425 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](CO)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000293189015 443946889 /nfs/dbraw/zinc/94/68/89/443946889.db2.gz QBYVVDIDZJGINU-IBGZPJMESA-N 2 2 345.487 1.425 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000540051426 320757595 /nfs/dbraw/zinc/75/75/95/320757595.db2.gz FRYDXRDYIBLJTK-HNNXBMFYSA-N 2 2 342.447 1.023 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccn(C)n1 ZINC000541779478 320776557 /nfs/dbraw/zinc/77/65/57/320776557.db2.gz VQXYIYPEOUGVOW-DZGCQCFKSA-N 2 2 330.436 1.386 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc(Cl)n1C ZINC000281696546 443981397 /nfs/dbraw/zinc/98/13/97/443981397.db2.gz NKGDBUGYIDXFLZ-GFCCVEGCSA-N 2 2 327.860 1.106 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc(Cl)n1C ZINC000281696546 443981401 /nfs/dbraw/zinc/98/14/01/443981401.db2.gz NKGDBUGYIDXFLZ-GFCCVEGCSA-N 2 2 327.860 1.106 20 0 EDADLP COCc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000299118962 443959751 /nfs/dbraw/zinc/95/97/51/443959751.db2.gz SFBFQXOUTFCZTP-UHFFFAOYSA-N 2 2 333.476 1.931 20 0 EDADLP COCc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000299118962 443959753 /nfs/dbraw/zinc/95/97/53/443959753.db2.gz SFBFQXOUTFCZTP-UHFFFAOYSA-N 2 2 333.476 1.931 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000299561747 444079904 /nfs/dbraw/zinc/07/99/04/444079904.db2.gz ZYBIDKHHQHHBRV-QGZVFWFLSA-N 2 2 344.459 1.300 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000299561747 444079907 /nfs/dbraw/zinc/07/99/07/444079907.db2.gz ZYBIDKHHQHHBRV-QGZVFWFLSA-N 2 2 344.459 1.300 20 0 EDADLP CC(C)n1cc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000557349491 321002945 /nfs/dbraw/zinc/00/29/45/321002945.db2.gz DJKYKPAULVEBTL-OAHLLOKOSA-N 2 2 330.436 1.478 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000558345321 321011706 /nfs/dbraw/zinc/01/17/06/321011706.db2.gz MVHQAZQEQLXRFA-SJORKVTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000558345321 321011708 /nfs/dbraw/zinc/01/17/08/321011708.db2.gz MVHQAZQEQLXRFA-SJORKVTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000558345321 321011709 /nfs/dbraw/zinc/01/17/09/321011709.db2.gz MVHQAZQEQLXRFA-SJORKVTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000558345321 321011710 /nfs/dbraw/zinc/01/17/10/321011710.db2.gz MVHQAZQEQLXRFA-SJORKVTESA-N 2 2 325.497 1.868 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000561076018 321032798 /nfs/dbraw/zinc/03/27/98/321032798.db2.gz LRHMKOFTIXYBNS-QGZVFWFLSA-N 2 2 331.460 1.550 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[NH+](C2CCOCC2)CC1 ZINC000562137418 321046618 /nfs/dbraw/zinc/04/66/18/321046618.db2.gz WLZDWTZSWANRPU-UHFFFAOYSA-N 2 2 332.448 1.972 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000562811343 321077399 /nfs/dbraw/zinc/07/73/99/321077399.db2.gz JCVPHOYQFUQFRW-OAHLLOKOSA-N 2 2 327.432 1.480 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000562811343 321077401 /nfs/dbraw/zinc/07/74/01/321077401.db2.gz JCVPHOYQFUQFRW-OAHLLOKOSA-N 2 2 327.432 1.480 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000562811342 321077448 /nfs/dbraw/zinc/07/74/48/321077448.db2.gz JCVPHOYQFUQFRW-HNNXBMFYSA-N 2 2 327.432 1.480 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000562811342 321077449 /nfs/dbraw/zinc/07/74/49/321077449.db2.gz JCVPHOYQFUQFRW-HNNXBMFYSA-N 2 2 327.432 1.480 20 0 EDADLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000562956753 321083434 /nfs/dbraw/zinc/08/34/34/321083434.db2.gz CKWUUIZQBRMBMO-ZWNOBZJWSA-N 2 2 349.859 1.488 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000563092569 321094844 /nfs/dbraw/zinc/09/48/44/321094844.db2.gz FFCUEJHOCJBMBM-KRWDZBQOSA-N 2 2 347.459 1.564 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000563092569 321094845 /nfs/dbraw/zinc/09/48/45/321094845.db2.gz FFCUEJHOCJBMBM-KRWDZBQOSA-N 2 2 347.459 1.564 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3CCC(CO)([NH2+]CC4CC4)CC3)on2)cn1 ZINC000563217162 321101418 /nfs/dbraw/zinc/10/14/18/321101418.db2.gz MEXBZVBUCSJPJL-UHFFFAOYSA-N 2 2 345.447 1.402 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000299592690 444089773 /nfs/dbraw/zinc/08/97/73/444089773.db2.gz KQFLZPDOLBBOLW-UHFFFAOYSA-N 2 2 347.463 1.152 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000299592690 444089776 /nfs/dbraw/zinc/08/97/76/444089776.db2.gz KQFLZPDOLBBOLW-UHFFFAOYSA-N 2 2 347.463 1.152 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]1OC ZINC000563932390 321116114 /nfs/dbraw/zinc/11/61/14/321116114.db2.gz NEAKWBQESVVYHM-FCGDIQPGSA-N 2 2 334.460 1.188 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]1OC ZINC000563932390 321116116 /nfs/dbraw/zinc/11/61/16/321116116.db2.gz NEAKWBQESVVYHM-FCGDIQPGSA-N 2 2 334.460 1.188 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000564052565 321119879 /nfs/dbraw/zinc/11/98/79/321119879.db2.gz CQWKHYZTISECPF-INIZCTEOSA-N 2 2 346.475 1.791 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000564309304 321126989 /nfs/dbraw/zinc/12/69/89/321126989.db2.gz BCNCMLJLHYBTDY-OAHLLOKOSA-N 2 2 340.418 1.866 20 0 EDADLP CCN(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000564861709 321152662 /nfs/dbraw/zinc/15/26/62/321152662.db2.gz GLYRQGBPNCXTQO-LSDHHAIUSA-N 2 2 332.448 1.470 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000564911362 321156176 /nfs/dbraw/zinc/15/61/76/321156176.db2.gz WYGFBOPWOVQQOG-INIZCTEOSA-N 2 2 340.418 1.108 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000565041616 321166031 /nfs/dbraw/zinc/16/60/31/321166031.db2.gz WLSHIUZXCYNXFG-GOSISDBHSA-N 3 2 330.476 1.016 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167236 321171986 /nfs/dbraw/zinc/17/19/86/321171986.db2.gz XSTJUCQDLYAABB-COXVUDFISA-N 2 2 327.419 1.612 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167236 321171988 /nfs/dbraw/zinc/17/19/88/321171988.db2.gz XSTJUCQDLYAABB-COXVUDFISA-N 2 2 327.419 1.612 20 0 EDADLP CC[NH+](C)C[C@H](O)CN[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167236 321171990 /nfs/dbraw/zinc/17/19/90/321171990.db2.gz XSTJUCQDLYAABB-COXVUDFISA-N 2 2 327.419 1.612 20 0 EDADLP CC[NH+](C)C[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000565167236 321171992 /nfs/dbraw/zinc/17/19/92/321171992.db2.gz XSTJUCQDLYAABB-COXVUDFISA-N 2 2 327.419 1.612 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000566089484 321214323 /nfs/dbraw/zinc/21/43/23/321214323.db2.gz CRSWWTVKFOZFOC-AAEUAGOBSA-N 2 2 326.824 1.968 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000566173774 321220787 /nfs/dbraw/zinc/22/07/87/321220787.db2.gz PWZUQADJROOVKZ-LSDHHAIUSA-N 2 2 339.480 1.060 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000566173774 321220788 /nfs/dbraw/zinc/22/07/88/321220788.db2.gz PWZUQADJROOVKZ-LSDHHAIUSA-N 2 2 339.480 1.060 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)C1CC1 ZINC000567872651 321263701 /nfs/dbraw/zinc/26/37/01/321263701.db2.gz CWJHQPJWYDXCLE-OSAQELSMSA-N 2 2 326.462 1.366 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)C1CC1 ZINC000567872651 321263702 /nfs/dbraw/zinc/26/37/02/321263702.db2.gz CWJHQPJWYDXCLE-OSAQELSMSA-N 2 2 326.462 1.366 20 0 EDADLP C[C@@H](CC(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1)n1cc[nH+]c1 ZINC000568020820 321273568 /nfs/dbraw/zinc/27/35/68/321273568.db2.gz GFLVYOMXADNDTK-HOTGVXAUSA-N 2 2 334.464 1.984 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000568180786 321278263 /nfs/dbraw/zinc/27/82/63/321278263.db2.gz CETDLZCLAHKWLG-UHFFFAOYSA-N 2 2 330.392 1.478 20 0 EDADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000568491594 321293964 /nfs/dbraw/zinc/29/39/64/321293964.db2.gz NMCVYWBKJPZNJW-OLZOCXBDSA-N 2 2 326.347 1.242 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1F ZINC000568574215 321296914 /nfs/dbraw/zinc/29/69/14/321296914.db2.gz HTKBUTLFNWVVJH-INIZCTEOSA-N 3 2 332.423 1.865 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1F ZINC000568574215 321296916 /nfs/dbraw/zinc/29/69/16/321296916.db2.gz HTKBUTLFNWVVJH-INIZCTEOSA-N 3 2 332.423 1.865 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC[C@H](O)C[N@@H+](C)C2CC2)cc1F ZINC000568574215 321296918 /nfs/dbraw/zinc/29/69/18/321296918.db2.gz HTKBUTLFNWVVJH-INIZCTEOSA-N 2 2 332.423 1.865 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC[C@H](O)C[N@H+](C)C2CC2)cc1F ZINC000568574215 321296920 /nfs/dbraw/zinc/29/69/20/321296920.db2.gz HTKBUTLFNWVVJH-INIZCTEOSA-N 2 2 332.423 1.865 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000568707066 321302237 /nfs/dbraw/zinc/30/22/37/321302237.db2.gz CMYPDURXHNCNHQ-CVEARBPZSA-N 2 2 331.464 1.988 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000568707066 321302239 /nfs/dbraw/zinc/30/22/39/321302239.db2.gz CMYPDURXHNCNHQ-CVEARBPZSA-N 2 2 331.464 1.988 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)c1 ZINC000285854390 444129760 /nfs/dbraw/zinc/12/97/60/444129760.db2.gz XYYVIBIPNWWWPY-RDJZCZTQSA-N 2 2 347.459 1.279 20 0 EDADLP CCCCn1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)n1 ZINC000572393421 321429041 /nfs/dbraw/zinc/42/90/41/321429041.db2.gz JGTTZAORKIASMT-RKVPGOIHSA-N 2 2 338.496 1.551 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H]([NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000301237638 444157529 /nfs/dbraw/zinc/15/75/29/444157529.db2.gz IJXOHFGTSVVPMR-SJORKVTESA-N 2 2 345.491 1.750 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000574504378 321486575 /nfs/dbraw/zinc/48/65/75/321486575.db2.gz DKXFOSXSXRNGBN-JKSUJKDBSA-N 2 2 331.464 1.610 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000575025769 321511907 /nfs/dbraw/zinc/51/19/07/321511907.db2.gz RUJHFKFHHSICET-ROUUACIJSA-N 2 2 346.475 1.420 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301472452 444174123 /nfs/dbraw/zinc/17/41/23/444174123.db2.gz QAVLRDSSCDOCKF-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP COC(=O)C1CC[NH+](CCCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000576828321 321599880 /nfs/dbraw/zinc/59/98/80/321599880.db2.gz HTMQVQXPLVOEMT-AWEZNQCLSA-N 2 2 336.436 1.226 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NC[C@@H](O)C[NH+]2CCCCC2)nc[nH+]1 ZINC000302784979 444224062 /nfs/dbraw/zinc/22/40/62/444224062.db2.gz MGHPKBHAYCSXHX-HZPDHXFCSA-N 2 2 349.479 1.087 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NC[C@@H](O)C[NH+]2CCCCC2)[nH+]cn1 ZINC000302784979 444224065 /nfs/dbraw/zinc/22/40/65/444224065.db2.gz MGHPKBHAYCSXHX-HZPDHXFCSA-N 2 2 349.479 1.087 20 0 EDADLP c1c(CCNc2cc(N3CCOCC3)nc[nH+]2)[nH+]c2n1CCCC2 ZINC000302809699 444225577 /nfs/dbraw/zinc/22/55/77/444225577.db2.gz YIGBBLHHQLSMES-UHFFFAOYSA-N 2 2 328.420 1.501 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1CO)N1CC[NH+](Cc2ccsc2)CC1 ZINC000303116839 444234615 /nfs/dbraw/zinc/23/46/15/444234615.db2.gz UXRBYCCUXKLMBA-MRXNPFEDSA-N 2 2 337.489 1.239 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1CO)N1CC[NH+](Cc2ccsc2)CC1 ZINC000303116839 444234617 /nfs/dbraw/zinc/23/46/17/444234617.db2.gz UXRBYCCUXKLMBA-MRXNPFEDSA-N 2 2 337.489 1.239 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000304011155 444239947 /nfs/dbraw/zinc/23/99/47/444239947.db2.gz VBTQZLKGTDUTMB-APWZRJJASA-N 2 2 335.467 1.961 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000304011155 444239949 /nfs/dbraw/zinc/23/99/49/444239949.db2.gz VBTQZLKGTDUTMB-APWZRJJASA-N 2 2 335.467 1.961 20 0 EDADLP Cc1[nH+]ccn1CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000297699343 444320715 /nfs/dbraw/zinc/32/07/15/444320715.db2.gz XKLIDHHWMFIMKL-UHFFFAOYSA-N 2 2 328.416 1.971 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCCC[C@@H]1O ZINC000305836440 444282740 /nfs/dbraw/zinc/28/27/40/444282740.db2.gz XEDSSIRQSFNALL-AEFFLSMTSA-N 2 2 349.475 1.407 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCCC[C@@H]1O ZINC000305836440 444282741 /nfs/dbraw/zinc/28/27/41/444282741.db2.gz XEDSSIRQSFNALL-AEFFLSMTSA-N 2 2 349.475 1.407 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(Cl)c1OCC(N)=O ZINC000322558156 444340242 /nfs/dbraw/zinc/34/02/42/444340242.db2.gz CJPYWVAVBIRWSG-JQWIXIFHSA-N 2 2 341.839 1.524 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc(Cl)c1OCC(N)=O ZINC000322558156 444340244 /nfs/dbraw/zinc/34/02/44/444340244.db2.gz CJPYWVAVBIRWSG-JQWIXIFHSA-N 2 2 341.839 1.524 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000326578994 444376404 /nfs/dbraw/zinc/37/64/04/444376404.db2.gz AOPLHNXZNOKXAP-QGZVFWFLSA-N 2 2 345.487 1.915 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000337721615 444372933 /nfs/dbraw/zinc/37/29/33/444372933.db2.gz PRBZDVDDFDYAQO-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000337721615 444372937 /nfs/dbraw/zinc/37/29/37/444372937.db2.gz PRBZDVDDFDYAQO-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000337721615 444372941 /nfs/dbraw/zinc/37/29/41/444372941.db2.gz PRBZDVDDFDYAQO-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000337721615 444372946 /nfs/dbraw/zinc/37/29/46/444372946.db2.gz PRBZDVDDFDYAQO-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000340523607 444424029 /nfs/dbraw/zinc/42/40/29/444424029.db2.gz GRSSHCCLRBLDCN-NVXWUHKLSA-N 2 2 335.427 1.980 20 0 EDADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340523607 444424032 /nfs/dbraw/zinc/42/40/32/444424032.db2.gz GRSSHCCLRBLDCN-NVXWUHKLSA-N 2 2 335.427 1.980 20 0 EDADLP CCN(C(=O)C[NH+]1CCC([NH2+]CCOC)CC1)C1CCCCC1 ZINC000578875211 321846618 /nfs/dbraw/zinc/84/66/18/321846618.db2.gz MULXMILKPIIHEV-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000298003156 444384047 /nfs/dbraw/zinc/38/40/47/444384047.db2.gz JDSQFFWXIYMFKU-HUUCEWRRSA-N 2 2 347.463 1.058 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000329110657 444474843 /nfs/dbraw/zinc/47/48/43/444474843.db2.gz QLUFAXAMZVZPRU-QGZVFWFLSA-N 2 2 342.443 1.675 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000329110657 444474845 /nfs/dbraw/zinc/47/48/45/444474845.db2.gz QLUFAXAMZVZPRU-QGZVFWFLSA-N 2 2 342.443 1.675 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000328689822 444430674 /nfs/dbraw/zinc/43/06/74/444430674.db2.gz QOUUSODYDVKRQE-HZPDHXFCSA-N 2 2 332.448 1.016 20 0 EDADLP CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000579704931 321963448 /nfs/dbraw/zinc/96/34/48/321963448.db2.gz YOWYDYWQWQOTFT-IBGZPJMESA-N 2 2 349.475 1.596 20 0 EDADLP Cc1cc(-c2nnc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)o2)c(C)o1 ZINC000579968642 321993388 /nfs/dbraw/zinc/99/33/88/321993388.db2.gz MHXWEOTWAUWYOV-UHFFFAOYSA-N 2 2 328.376 1.992 20 0 EDADLP CC1CCC(O)(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000580316419 322036260 /nfs/dbraw/zinc/03/62/60/322036260.db2.gz CBTYSNNULMFTKX-CSLYMUCUSA-N 2 2 334.464 1.442 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000580513883 322058983 /nfs/dbraw/zinc/05/89/83/322058983.db2.gz OQEILFXLQHLHDS-KRWDZBQOSA-N 2 2 348.472 1.975 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000580513883 322058985 /nfs/dbraw/zinc/05/89/85/322058985.db2.gz OQEILFXLQHLHDS-KRWDZBQOSA-N 2 2 348.472 1.975 20 0 EDADLP CCN1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000580983815 322119606 /nfs/dbraw/zinc/11/96/06/322119606.db2.gz WKAIKLOMHCBNNT-ZBFHGGJFSA-N 2 2 342.447 1.382 20 0 EDADLP c1nn(-c2ncccn2)c2c1[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000581108051 322135530 /nfs/dbraw/zinc/13/55/30/322135530.db2.gz XOGHCQSJKMXOTK-JSGCOSHPSA-N 2 2 335.415 1.910 20 0 EDADLP c1nn(-c2ncccn2)c2c1[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000581108051 322135533 /nfs/dbraw/zinc/13/55/33/322135533.db2.gz XOGHCQSJKMXOTK-JSGCOSHPSA-N 2 2 335.415 1.910 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000581185134 322145795 /nfs/dbraw/zinc/14/57/95/322145795.db2.gz VWZVKFGLISVXAU-OIISXLGYSA-N 2 2 332.448 1.649 20 0 EDADLP Cc1cccc2c1OC[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C2 ZINC000581186815 322146249 /nfs/dbraw/zinc/14/62/49/322146249.db2.gz DIEDBZYDJQQLEI-AHCXZYCDSA-N 2 2 334.460 1.358 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnnn1C1CCOCC1 ZINC000581585535 322194685 /nfs/dbraw/zinc/19/46/85/322194685.db2.gz GHQAXWUHQSGYNC-OAHLLOKOSA-N 2 2 331.424 1.194 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnnn1C1CCOCC1 ZINC000581585535 322194688 /nfs/dbraw/zinc/19/46/88/322194688.db2.gz GHQAXWUHQSGYNC-OAHLLOKOSA-N 2 2 331.424 1.194 20 0 EDADLP CC(=O)[C@@](C)(O)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000581865590 322225267 /nfs/dbraw/zinc/22/52/67/322225267.db2.gz DCCMNUUIBDMLMI-HOCLYGCPSA-N 2 2 337.489 1.769 20 0 EDADLP CC(=O)[C@@](C)(O)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000581865590 322225269 /nfs/dbraw/zinc/22/52/69/322225269.db2.gz DCCMNUUIBDMLMI-HOCLYGCPSA-N 2 2 337.489 1.769 20 0 EDADLP Cc1nc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)[nH]c1C ZINC000581895360 322230425 /nfs/dbraw/zinc/23/04/25/322230425.db2.gz CCICSWCTAXRENH-UHFFFAOYSA-N 2 2 327.476 1.934 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000581979699 322239650 /nfs/dbraw/zinc/23/96/50/322239650.db2.gz RPGCGNLEYKKADT-BBRMVZONSA-N 2 2 343.537 1.651 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000581979699 322239651 /nfs/dbraw/zinc/23/96/51/322239651.db2.gz RPGCGNLEYKKADT-BBRMVZONSA-N 2 2 343.537 1.651 20 0 EDADLP C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000332806099 444559365 /nfs/dbraw/zinc/55/93/65/444559365.db2.gz PNGMRUHGUUYXRO-KGLIPLIRSA-N 2 2 335.452 1.408 20 0 EDADLP CC[C@]1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000343769720 444578111 /nfs/dbraw/zinc/57/81/11/444578111.db2.gz BPKYHDXBZHCKJB-LJQANCHMSA-N 2 2 348.466 1.596 20 0 EDADLP CCC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000338178133 444550448 /nfs/dbraw/zinc/55/04/48/444550448.db2.gz ZMUWPSULBBFVAZ-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP CCC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000338178133 444550453 /nfs/dbraw/zinc/55/04/53/444550453.db2.gz ZMUWPSULBBFVAZ-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP CCN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332954988 444609909 /nfs/dbraw/zinc/60/99/09/444609909.db2.gz HYSZATLUDQGZBL-ZFWWWQNUSA-N 2 2 332.452 1.035 20 0 EDADLP CCN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332954988 444609913 /nfs/dbraw/zinc/60/99/13/444609913.db2.gz HYSZATLUDQGZBL-ZFWWWQNUSA-N 2 2 332.452 1.035 20 0 EDADLP CCCCN(CC)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927580 444674431 /nfs/dbraw/zinc/67/44/31/444674431.db2.gz SHUHGNOBCQTLBI-MSOLQXFVSA-N 2 2 338.540 1.593 20 0 EDADLP CCCCN(CC)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927580 444674434 /nfs/dbraw/zinc/67/44/34/444674434.db2.gz SHUHGNOBCQTLBI-MSOLQXFVSA-N 2 2 338.540 1.593 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2CCC[C@@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000333216776 444648012 /nfs/dbraw/zinc/64/80/12/444648012.db2.gz CRDQECPAARJTMF-HZPDHXFCSA-N 2 2 331.464 2.132 20 0 EDADLP CO[C@H](C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000338544113 444742645 /nfs/dbraw/zinc/74/26/45/444742645.db2.gz KHOWRYLBDWVGOR-GOSISDBHSA-N 2 2 331.460 1.614 20 0 EDADLP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[NH+](C)C[C@@H]2C)c1 ZINC000344050150 444750956 /nfs/dbraw/zinc/75/09/56/444750956.db2.gz BJYYPXWUGLKARR-QFBILLFUSA-N 3 2 335.492 1.683 20 0 EDADLP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[NH+](C)C[C@@H]2C)c1 ZINC000344050150 444750958 /nfs/dbraw/zinc/75/09/58/444750958.db2.gz BJYYPXWUGLKARR-QFBILLFUSA-N 3 2 335.492 1.683 20 0 EDADLP COCC[NH+](C)CCOc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000344050150 444750960 /nfs/dbraw/zinc/75/09/60/444750960.db2.gz BJYYPXWUGLKARR-QFBILLFUSA-N 3 2 335.492 1.683 20 0 EDADLP COCC[NH+](C)CCOc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000344050150 444750961 /nfs/dbraw/zinc/75/09/61/444750961.db2.gz BJYYPXWUGLKARR-QFBILLFUSA-N 3 2 335.492 1.683 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1(CC)CC ZINC000344093937 444778148 /nfs/dbraw/zinc/77/81/48/444778148.db2.gz FZEJPUXZGAXZAN-BZUAXINKSA-N 2 2 325.497 1.900 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1(CC)CC ZINC000344093937 444778151 /nfs/dbraw/zinc/77/81/51/444778151.db2.gz FZEJPUXZGAXZAN-BZUAXINKSA-N 2 2 325.497 1.900 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000342643215 444793141 /nfs/dbraw/zinc/79/31/41/444793141.db2.gz CFIFOKJQMIWVNN-UHFFFAOYSA-N 2 2 342.447 1.863 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[NH+]2CCC1CC2 ZINC000330046961 444823662 /nfs/dbraw/zinc/82/36/62/444823662.db2.gz FCTRRFKNCOWGJI-UHFFFAOYSA-N 2 2 328.420 1.143 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342713587 444830115 /nfs/dbraw/zinc/83/01/15/444830115.db2.gz SXFQSAYBYOCWMV-MRXNPFEDSA-N 2 2 345.487 1.679 20 0 EDADLP COC(=O)c1occc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344241527 444858536 /nfs/dbraw/zinc/85/85/36/444858536.db2.gz WPZYMGQJZYIWKS-UHFFFAOYSA-N 2 2 337.420 1.099 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341536594 444881194 /nfs/dbraw/zinc/88/11/94/444881194.db2.gz TXYPKDFKSBEOJU-ARFHVFGLSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341536594 444881196 /nfs/dbraw/zinc/88/11/96/444881196.db2.gz TXYPKDFKSBEOJU-ARFHVFGLSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C[C@@H]21 ZINC000341536594 444881200 /nfs/dbraw/zinc/88/12/00/444881200.db2.gz TXYPKDFKSBEOJU-ARFHVFGLSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)C[C@@H]21 ZINC000341536594 444881201 /nfs/dbraw/zinc/88/12/01/444881201.db2.gz TXYPKDFKSBEOJU-ARFHVFGLSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1c[nH+]c(CN2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)n1C ZINC000342851715 444894381 /nfs/dbraw/zinc/89/43/81/444894381.db2.gz KGKDCHPETQQOMY-ROUUACIJSA-N 2 2 326.444 1.814 20 0 EDADLP Cc1c[nH+]c(CN2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)n1C ZINC000342851715 444894384 /nfs/dbraw/zinc/89/43/84/444894384.db2.gz KGKDCHPETQQOMY-ROUUACIJSA-N 2 2 326.444 1.814 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000344403787 444944199 /nfs/dbraw/zinc/94/41/99/444944199.db2.gz IMTAKTMKFSGFBA-GJZGRUSLSA-N 2 2 336.505 1.639 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000344403787 444944200 /nfs/dbraw/zinc/94/42/00/444944200.db2.gz IMTAKTMKFSGFBA-GJZGRUSLSA-N 2 2 336.505 1.639 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000338921926 444933260 /nfs/dbraw/zinc/93/32/60/444933260.db2.gz PLTIGBOSRRDJIH-UHFFFAOYSA-N 2 2 328.460 1.913 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000341771913 444994168 /nfs/dbraw/zinc/99/41/68/444994168.db2.gz JOSFPPCTJBWVJV-QZWWFDLISA-N 2 2 325.497 1.673 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000341771913 444994174 /nfs/dbraw/zinc/99/41/74/444994174.db2.gz JOSFPPCTJBWVJV-QZWWFDLISA-N 2 2 325.497 1.673 20 0 EDADLP COc1cc(F)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000341876697 445048138 /nfs/dbraw/zinc/04/81/38/445048138.db2.gz MDJOAFTZFHMZPL-OLZOCXBDSA-N 2 2 326.412 1.950 20 0 EDADLP C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[NH+]1CCOCC1 ZINC000341902466 445062484 /nfs/dbraw/zinc/06/24/84/445062484.db2.gz OSSRDJTXPSBRLN-INIZCTEOSA-N 2 2 334.464 1.623 20 0 EDADLP CN(C(=O)c1cn[nH]c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339173879 445073484 /nfs/dbraw/zinc/07/34/84/445073484.db2.gz KOESDEUYBWQMAJ-DLBZAZTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1cn[nH]c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339173879 445073488 /nfs/dbraw/zinc/07/34/88/445073488.db2.gz KOESDEUYBWQMAJ-DLBZAZTESA-N 2 2 333.480 1.819 20 0 EDADLP CCCCNc1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000343113283 445074871 /nfs/dbraw/zinc/07/48/71/445074871.db2.gz YRYOEKDCVRRBHI-OKILXGFUSA-N 2 2 336.484 1.816 20 0 EDADLP CCCCNc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000343113283 445074874 /nfs/dbraw/zinc/07/48/74/445074874.db2.gz YRYOEKDCVRRBHI-OKILXGFUSA-N 2 2 336.484 1.816 20 0 EDADLP O=S1(=O)CC[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)C1 ZINC000337523977 445119250 /nfs/dbraw/zinc/11/92/50/445119250.db2.gz QWOWQBKROWRWFU-NSHDSACASA-N 2 2 344.400 1.057 20 0 EDADLP FC(F)O[C@H]1CCC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000337568035 445141200 /nfs/dbraw/zinc/14/12/00/445141200.db2.gz ZOMQPNMQOVWULK-HOTGVXAUSA-N 2 2 347.450 1.533 20 0 EDADLP FC(F)O[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000337568035 445141205 /nfs/dbraw/zinc/14/12/05/445141205.db2.gz ZOMQPNMQOVWULK-HOTGVXAUSA-N 2 2 347.450 1.533 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)C[C@H]21 ZINC000342096294 445170037 /nfs/dbraw/zinc/17/00/37/445170037.db2.gz ZFLGQYOCTUPHEP-MGPQQGTHSA-N 2 2 328.416 1.031 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)C[C@H]21 ZINC000342096294 445170044 /nfs/dbraw/zinc/17/00/44/445170044.db2.gz ZFLGQYOCTUPHEP-MGPQQGTHSA-N 2 2 328.416 1.031 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C ZINC000345296394 445178234 /nfs/dbraw/zinc/17/82/34/445178234.db2.gz FXDYKSGOTADDPO-TXPWEPMLSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C ZINC000345296394 445178238 /nfs/dbraw/zinc/17/82/38/445178238.db2.gz FXDYKSGOTADDPO-TXPWEPMLSA-N 2 2 331.464 1.154 20 0 EDADLP O[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)[C@H]1CCOC1 ZINC000337599173 445159049 /nfs/dbraw/zinc/15/90/49/445159049.db2.gz HZJUIEAGOLOXBM-SMDDNHRTSA-N 2 2 326.360 1.020 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346902746 445227718 /nfs/dbraw/zinc/22/77/18/445227718.db2.gz YGLCEVRIXLOSID-LZLYRXPVSA-N 2 2 349.523 1.992 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346902746 445227719 /nfs/dbraw/zinc/22/77/19/445227719.db2.gz YGLCEVRIXLOSID-LZLYRXPVSA-N 2 2 349.523 1.992 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346902746 445227721 /nfs/dbraw/zinc/22/77/21/445227721.db2.gz YGLCEVRIXLOSID-LZLYRXPVSA-N 2 2 349.523 1.992 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346902746 445227722 /nfs/dbraw/zinc/22/77/22/445227722.db2.gz YGLCEVRIXLOSID-LZLYRXPVSA-N 2 2 349.523 1.992 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343492256 445233522 /nfs/dbraw/zinc/23/35/22/445233522.db2.gz GVCXZVKGGCODBG-CRAIPNDOSA-N 2 2 346.475 1.326 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343492256 445233523 /nfs/dbraw/zinc/23/35/23/445233523.db2.gz GVCXZVKGGCODBG-CRAIPNDOSA-N 2 2 346.475 1.326 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000343610130 445262870 /nfs/dbraw/zinc/26/28/70/445262870.db2.gz NHWKUVHBJHQSQX-UHFFFAOYSA-N 2 2 339.443 1.634 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000343610130 445262874 /nfs/dbraw/zinc/26/28/74/445262874.db2.gz NHWKUVHBJHQSQX-UHFFFAOYSA-N 2 2 339.443 1.634 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@H+](C)CCc1cccnc1 ZINC000348096394 445265524 /nfs/dbraw/zinc/26/55/24/445265524.db2.gz ABRYSYXUFWVFEQ-IAGOWNOFSA-N 2 2 331.439 1.902 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)CCc1cccnc1 ZINC000348096394 445265528 /nfs/dbraw/zinc/26/55/28/445265528.db2.gz ABRYSYXUFWVFEQ-IAGOWNOFSA-N 2 2 331.439 1.902 20 0 EDADLP Cc1cnn(C)c1C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000348501337 445308234 /nfs/dbraw/zinc/30/82/34/445308234.db2.gz YNWOWRHVRNUHND-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000348501337 445308238 /nfs/dbraw/zinc/30/82/38/445308238.db2.gz YNWOWRHVRNUHND-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000348501337 445308242 /nfs/dbraw/zinc/30/82/42/445308242.db2.gz YNWOWRHVRNUHND-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000348501337 445308246 /nfs/dbraw/zinc/30/82/46/445308246.db2.gz YNWOWRHVRNUHND-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000348515956 445310736 /nfs/dbraw/zinc/31/07/36/445310736.db2.gz OXRZUFDMVQINCF-QAPCUYQASA-N 2 2 327.432 1.618 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)CCOCC(F)F ZINC000348116577 445276511 /nfs/dbraw/zinc/27/65/11/445276511.db2.gz GXGDCLUSTQOIHT-OLZOCXBDSA-N 2 2 334.386 1.546 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)CCOCC(F)F ZINC000348116577 445276514 /nfs/dbraw/zinc/27/65/14/445276514.db2.gz GXGDCLUSTQOIHT-OLZOCXBDSA-N 2 2 334.386 1.546 20 0 EDADLP CC(C)CNC(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348126403 445282559 /nfs/dbraw/zinc/28/25/59/445282559.db2.gz WCNUSALBSWJGJJ-GJZGRUSLSA-N 2 2 339.459 1.037 20 0 EDADLP CC(C)CNC(=O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348126403 445282562 /nfs/dbraw/zinc/28/25/62/445282562.db2.gz WCNUSALBSWJGJJ-GJZGRUSLSA-N 2 2 339.459 1.037 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)[C@@H](C)C1 ZINC000343659209 445287296 /nfs/dbraw/zinc/28/72/96/445287296.db2.gz AIPBBXZQPAJHSV-YJBOKZPZSA-N 2 2 331.460 1.589 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)[C@@H](C)C1 ZINC000343659209 445287300 /nfs/dbraw/zinc/28/73/00/445287300.db2.gz AIPBBXZQPAJHSV-YJBOKZPZSA-N 2 2 331.460 1.589 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348267499 445332892 /nfs/dbraw/zinc/33/28/92/445332892.db2.gz LHOMDMZUCFQGQO-ZBFHGGJFSA-N 2 2 338.496 1.520 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348267499 445332894 /nfs/dbraw/zinc/33/28/94/445332894.db2.gz LHOMDMZUCFQGQO-ZBFHGGJFSA-N 2 2 338.496 1.520 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348267499 445332897 /nfs/dbraw/zinc/33/28/97/445332897.db2.gz LHOMDMZUCFQGQO-ZBFHGGJFSA-N 2 2 338.496 1.520 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348267499 445332899 /nfs/dbraw/zinc/33/28/99/445332899.db2.gz LHOMDMZUCFQGQO-ZBFHGGJFSA-N 2 2 338.496 1.520 20 0 EDADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccccc1-n1cc[nH+]c1 ZINC000354698975 445344318 /nfs/dbraw/zinc/34/43/18/445344318.db2.gz VPMOPMXZVTXHSW-CQSZACIVSA-N 2 2 327.388 1.069 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000354654174 445328225 /nfs/dbraw/zinc/32/82/25/445328225.db2.gz GFMPOBRJRAWSCK-GDBMZVCRSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357068204 445405202 /nfs/dbraw/zinc/40/52/02/445405202.db2.gz DLYHFFKTKSJUPF-KZNAEPCWSA-N 2 2 342.487 1.265 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357068204 445405204 /nfs/dbraw/zinc/40/52/04/445405204.db2.gz DLYHFFKTKSJUPF-KZNAEPCWSA-N 2 2 342.487 1.265 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357083365 445416446 /nfs/dbraw/zinc/41/64/46/445416446.db2.gz PASJJWYJQYXRPX-CVEARBPZSA-N 2 2 347.459 1.122 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357083365 445416451 /nfs/dbraw/zinc/41/64/51/445416451.db2.gz PASJJWYJQYXRPX-CVEARBPZSA-N 2 2 347.459 1.122 20 0 EDADLP CNC(=O)C[N@H+](CCOCC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000357084560 445417059 /nfs/dbraw/zinc/41/70/59/445417059.db2.gz RGGICHBXDKDDII-UHFFFAOYSA-N 2 2 333.354 1.229 20 0 EDADLP CNC(=O)C[N@@H+](CCOCC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000357084560 445417063 /nfs/dbraw/zinc/41/70/63/445417063.db2.gz RGGICHBXDKDDII-UHFFFAOYSA-N 2 2 333.354 1.229 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000357091171 445422224 /nfs/dbraw/zinc/42/22/24/445422224.db2.gz WAOFINIUBFSNIY-DLBZAZTESA-N 2 2 330.476 1.170 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000357091171 445422225 /nfs/dbraw/zinc/42/22/25/445422225.db2.gz WAOFINIUBFSNIY-DLBZAZTESA-N 2 2 330.476 1.170 20 0 EDADLP COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000362523034 445422406 /nfs/dbraw/zinc/42/24/06/445422406.db2.gz DBZCEJSABOAQFC-ZWKOTPCHSA-N 2 2 331.416 1.782 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c[nH+]1 ZINC000348811771 445395685 /nfs/dbraw/zinc/39/56/85/445395685.db2.gz DAZRAVLZSGOQDO-MRXNPFEDSA-N 2 2 337.489 1.869 20 0 EDADLP CO[C@H](C)CCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355100112 445443117 /nfs/dbraw/zinc/44/31/17/445443117.db2.gz HDIAMIPXCWFISZ-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CO[C@H](C)CCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355100112 445443120 /nfs/dbraw/zinc/44/31/20/445443120.db2.gz HDIAMIPXCWFISZ-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000359825620 445447645 /nfs/dbraw/zinc/44/76/45/445447645.db2.gz FNMVGEVRHSCBTR-SFFUCWETSA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)N(C(=O)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000362719392 445517784 /nfs/dbraw/zinc/51/77/84/445517784.db2.gz JQFDDFJLTCOGBL-GOSISDBHSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)N(C(=O)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000362719392 445517786 /nfs/dbraw/zinc/51/77/86/445517786.db2.gz JQFDDFJLTCOGBL-GOSISDBHSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)N(C(=O)CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000362719392 445517791 /nfs/dbraw/zinc/51/77/91/445517791.db2.gz JQFDDFJLTCOGBL-GOSISDBHSA-N 2 2 338.540 1.732 20 0 EDADLP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362672927 445492332 /nfs/dbraw/zinc/49/23/32/445492332.db2.gz NDKKQQFXAGAVPD-PFWMLDTASA-N 2 2 329.444 1.605 20 0 EDADLP COc1ccccc1/C=C/C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362672927 445492338 /nfs/dbraw/zinc/49/23/38/445492338.db2.gz NDKKQQFXAGAVPD-PFWMLDTASA-N 2 2 329.444 1.605 20 0 EDADLP COc1cc(C)[nH+]c(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000349074991 445495368 /nfs/dbraw/zinc/49/53/68/445495368.db2.gz NQUSGJMGURTGMI-UHFFFAOYSA-N 2 2 332.492 1.858 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000357232032 445495738 /nfs/dbraw/zinc/49/57/38/445495738.db2.gz MLWIRLSRQNCMDD-LSDHHAIUSA-N 2 2 349.479 1.029 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000357232032 445495740 /nfs/dbraw/zinc/49/57/40/445495740.db2.gz MLWIRLSRQNCMDD-LSDHHAIUSA-N 2 2 349.479 1.029 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000359940985 445497935 /nfs/dbraw/zinc/49/79/35/445497935.db2.gz RHWXFBMERIUTKZ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[NH2+][C@H](C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1cnn(C)c1 ZINC000357245094 445504194 /nfs/dbraw/zinc/50/41/94/445504194.db2.gz UHEDCQFPOAUDCI-BBRMVZONSA-N 2 2 344.463 1.306 20 0 EDADLP C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C1CC[NH+](CCO)CC1 ZINC000360063344 445550654 /nfs/dbraw/zinc/55/06/54/445550654.db2.gz LAFIRIRVTLZJQZ-UHFFFAOYSA-N 2 2 339.524 1.660 20 0 EDADLP C[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C1CC[NH+](CCO)CC1 ZINC000360063344 445550656 /nfs/dbraw/zinc/55/06/56/445550656.db2.gz LAFIRIRVTLZJQZ-UHFFFAOYSA-N 2 2 339.524 1.660 20 0 EDADLP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362825564 445567047 /nfs/dbraw/zinc/56/70/47/445567047.db2.gz IQDRDMHKJXYEHC-HOTGVXAUSA-N 2 2 344.459 1.218 20 0 EDADLP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362825564 445567049 /nfs/dbraw/zinc/56/70/49/445567049.db2.gz IQDRDMHKJXYEHC-HOTGVXAUSA-N 2 2 344.459 1.218 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000362829873 445570453 /nfs/dbraw/zinc/57/04/53/445570453.db2.gz IOWUCESXDDSAMK-AWEZNQCLSA-N 2 2 330.388 1.331 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000362829873 445570456 /nfs/dbraw/zinc/57/04/56/445570456.db2.gz IOWUCESXDDSAMK-AWEZNQCLSA-N 2 2 330.388 1.331 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)[NH+](C)C)cc1 ZINC000357775280 445581962 /nfs/dbraw/zinc/58/19/62/445581962.db2.gz XIAZFWJJUXEJJR-KSZLIROESA-N 2 2 346.475 1.322 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)[NH+](C)C)cc1 ZINC000357775280 445581963 /nfs/dbraw/zinc/58/19/63/445581963.db2.gz XIAZFWJJUXEJJR-KSZLIROESA-N 2 2 346.475 1.322 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)s1 ZINC000362772469 445543066 /nfs/dbraw/zinc/54/30/66/445543066.db2.gz GQLMWWTUJQJJHF-UHFFFAOYSA-N 2 2 336.505 1.828 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000358251957 445613323 /nfs/dbraw/zinc/61/33/23/445613323.db2.gz MYBOMMKKEVDCNS-NCYKPQTJSA-N 3 2 343.515 1.943 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000358251957 445613327 /nfs/dbraw/zinc/61/33/27/445613327.db2.gz MYBOMMKKEVDCNS-NCYKPQTJSA-N 3 2 343.515 1.943 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000358251957 445613332 /nfs/dbraw/zinc/61/33/32/445613332.db2.gz MYBOMMKKEVDCNS-NCYKPQTJSA-N 3 2 343.515 1.943 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000358251957 445613334 /nfs/dbraw/zinc/61/33/34/445613334.db2.gz MYBOMMKKEVDCNS-NCYKPQTJSA-N 3 2 343.515 1.943 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)no1 ZINC000360213411 445632196 /nfs/dbraw/zinc/63/21/96/445632196.db2.gz OMADYZOQOINTBQ-MRXNPFEDSA-N 2 2 334.395 1.908 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353537174 445647066 /nfs/dbraw/zinc/64/70/66/445647066.db2.gz WOJBMAQUPFPDIX-SJORKVTESA-N 3 2 336.524 1.441 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000360241961 445650953 /nfs/dbraw/zinc/65/09/53/445650953.db2.gz MJQMUTDJYMJJPA-ZBFHGGJFSA-N 2 2 339.505 1.946 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000360241961 445650957 /nfs/dbraw/zinc/65/09/57/445650957.db2.gz MJQMUTDJYMJJPA-ZBFHGGJFSA-N 2 2 339.505 1.946 20 0 EDADLP CC(C)[C@H]1CN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@@H+]1C ZINC000356157012 445653431 /nfs/dbraw/zinc/65/34/31/445653431.db2.gz BWMBSYHUAQDNIB-GOSISDBHSA-N 2 2 346.475 1.326 20 0 EDADLP CC(C)[C@H]1CN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@H+]1C ZINC000356157012 445653436 /nfs/dbraw/zinc/65/34/36/445653436.db2.gz BWMBSYHUAQDNIB-GOSISDBHSA-N 2 2 346.475 1.326 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1C ZINC000363144735 445694485 /nfs/dbraw/zinc/69/44/85/445694485.db2.gz DMVBWHSLAOAPLI-MRXNPFEDSA-N 2 2 332.448 1.055 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H]2C[N@H+]3CCN2CCC3)c1C ZINC000363144735 445694489 /nfs/dbraw/zinc/69/44/89/445694489.db2.gz DMVBWHSLAOAPLI-MRXNPFEDSA-N 2 2 332.448 1.055 20 0 EDADLP COC(=O)c1occc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353669797 445700283 /nfs/dbraw/zinc/70/02/83/445700283.db2.gz FHOMPNIZALSRCG-UHFFFAOYSA-N 2 2 337.420 1.148 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353678027 445704007 /nfs/dbraw/zinc/70/40/07/445704007.db2.gz ZNLARUBVJQNKFB-UHFFFAOYSA-N 2 2 327.860 1.155 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC[N@@H+]1C ZINC000353688934 445707974 /nfs/dbraw/zinc/70/79/74/445707974.db2.gz BGDKBQBGVHYIHN-NVXWUHKLSA-N 2 2 331.460 1.767 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC[N@H+]1C ZINC000353688934 445707978 /nfs/dbraw/zinc/70/79/78/445707978.db2.gz BGDKBQBGVHYIHN-NVXWUHKLSA-N 2 2 331.460 1.767 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000356284169 445717513 /nfs/dbraw/zinc/71/75/13/445717513.db2.gz SLZFVXPGQCCFEK-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000356284169 445717519 /nfs/dbraw/zinc/71/75/19/445717519.db2.gz SLZFVXPGQCCFEK-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCC1 ZINC000356291295 445721198 /nfs/dbraw/zinc/72/11/98/445721198.db2.gz HHGLKWQPYNJNSV-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCC1 ZINC000356291295 445721200 /nfs/dbraw/zinc/72/12/00/445721200.db2.gz HHGLKWQPYNJNSV-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP COc1ccc2nc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)sc2c1 ZINC000353743978 445735546 /nfs/dbraw/zinc/73/55/46/445735546.db2.gz ZMWHNWDOFLHBII-AWEZNQCLSA-N 2 2 348.472 1.734 20 0 EDADLP COc1ccc2nc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)sc2c1 ZINC000353743978 445735551 /nfs/dbraw/zinc/73/55/51/445735551.db2.gz ZMWHNWDOFLHBII-AWEZNQCLSA-N 2 2 348.472 1.734 20 0 EDADLP CN(C)c1ccccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000353770334 445747269 /nfs/dbraw/zinc/74/72/69/445747269.db2.gz TYUJPAJXCUIDJE-UHFFFAOYSA-N 2 2 340.475 1.931 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000358740990 445753607 /nfs/dbraw/zinc/75/36/07/445753607.db2.gz DBSSQLMSKCEZKY-LLVKDONJSA-N 2 2 341.253 1.269 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000356377710 445759853 /nfs/dbraw/zinc/75/98/53/445759853.db2.gz SFHDNKPZXZOAOG-SJLPKXTDSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000356377710 445759858 /nfs/dbraw/zinc/75/98/58/445759858.db2.gz SFHDNKPZXZOAOG-SJLPKXTDSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000356377710 445759862 /nfs/dbraw/zinc/75/98/62/445759862.db2.gz SFHDNKPZXZOAOG-SJLPKXTDSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000356377710 445759867 /nfs/dbraw/zinc/75/98/67/445759867.db2.gz SFHDNKPZXZOAOG-SJLPKXTDSA-N 2 2 346.475 1.405 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)C1 ZINC000363347705 445774786 /nfs/dbraw/zinc/77/47/86/445774786.db2.gz AACYNGUZSAHDTC-HZPDHXFCSA-N 2 2 334.464 1.718 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)C1 ZINC000363347705 445774791 /nfs/dbraw/zinc/77/47/91/445774791.db2.gz AACYNGUZSAHDTC-HZPDHXFCSA-N 2 2 334.464 1.718 20 0 EDADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C[C@H]4CCOC4)C3)CC2)nc1 ZINC000353939972 445819265 /nfs/dbraw/zinc/81/92/65/445819265.db2.gz PLXUFJOTUUPWOL-RTBURBONSA-N 2 2 344.503 1.952 20 0 EDADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C[C@H]4CCOC4)C3)CC2)nc1 ZINC000353939972 445819267 /nfs/dbraw/zinc/81/92/67/445819267.db2.gz PLXUFJOTUUPWOL-RTBURBONSA-N 2 2 344.503 1.952 20 0 EDADLP CO[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000350414977 445825647 /nfs/dbraw/zinc/82/56/47/445825647.db2.gz PKDGTPWDOVZEHH-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000361517615 445798616 /nfs/dbraw/zinc/79/86/16/445798616.db2.gz DUFQXEBUNNMTKI-UHFFFAOYSA-N 2 2 346.475 1.907 20 0 EDADLP [NH3+]C[C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000358855742 445812876 /nfs/dbraw/zinc/81/28/76/445812876.db2.gz MMKZGLYGXKUDJD-SFHVURJKSA-N 2 2 342.418 1.607 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@@H]1CCOC1 ZINC000361589593 445836325 /nfs/dbraw/zinc/83/63/25/445836325.db2.gz QBMOZUKDNZABPC-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)[C@@H]1CCOC1 ZINC000361589593 445836330 /nfs/dbraw/zinc/83/63/30/445836330.db2.gz QBMOZUKDNZABPC-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CCOC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353994666 445844371 /nfs/dbraw/zinc/84/43/71/445844371.db2.gz CPLOHYHTEBCOJD-QCLGFWRNSA-N 2 2 337.508 1.865 20 0 EDADLP CCOC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353994666 445844373 /nfs/dbraw/zinc/84/43/73/445844373.db2.gz CPLOHYHTEBCOJD-QCLGFWRNSA-N 2 2 337.508 1.865 20 0 EDADLP [NH3+]Cc1cc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)ccn1 ZINC000361609055 445845472 /nfs/dbraw/zinc/84/54/72/445845472.db2.gz ICSYEEOAWHIVOI-UHFFFAOYSA-N 2 2 325.416 1.856 20 0 EDADLP [NH3+]Cc1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccn1 ZINC000361611723 445846268 /nfs/dbraw/zinc/84/62/68/445846268.db2.gz UEQHMINKFHUDFA-SFHVURJKSA-N 2 2 340.427 1.344 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000358916219 445846412 /nfs/dbraw/zinc/84/64/12/445846412.db2.gz RQAKFMPSBMFBHV-GOSISDBHSA-N 2 2 342.491 1.901 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000358916219 445846416 /nfs/dbraw/zinc/84/64/16/445846416.db2.gz RQAKFMPSBMFBHV-GOSISDBHSA-N 2 2 342.491 1.901 20 0 EDADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000363539886 445850335 /nfs/dbraw/zinc/85/03/35/445850335.db2.gz PXYDGCLXSUDZKA-ZNMIVQPWSA-N 2 2 333.480 1.854 20 0 EDADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000363539886 445850338 /nfs/dbraw/zinc/85/03/38/445850338.db2.gz PXYDGCLXSUDZKA-ZNMIVQPWSA-N 2 2 333.480 1.854 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000361673078 445871815 /nfs/dbraw/zinc/87/18/15/445871815.db2.gz UNZQHUPUYRRMSZ-SJLPKXTDSA-N 2 2 333.451 1.901 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000361673078 445871817 /nfs/dbraw/zinc/87/18/17/445871817.db2.gz UNZQHUPUYRRMSZ-SJLPKXTDSA-N 2 2 333.451 1.901 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000361673078 445871819 /nfs/dbraw/zinc/87/18/19/445871819.db2.gz UNZQHUPUYRRMSZ-SJLPKXTDSA-N 2 2 333.451 1.901 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000361673078 445871822 /nfs/dbraw/zinc/87/18/22/445871822.db2.gz UNZQHUPUYRRMSZ-SJLPKXTDSA-N 2 2 333.451 1.901 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000369093051 445925077 /nfs/dbraw/zinc/92/50/77/445925077.db2.gz SYXBQSPRYYJEBW-INIZCTEOSA-N 2 2 327.432 1.741 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000369093051 445925079 /nfs/dbraw/zinc/92/50/79/445925079.db2.gz SYXBQSPRYYJEBW-INIZCTEOSA-N 2 2 327.432 1.741 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cn2)CC1 ZINC000354176060 445972053 /nfs/dbraw/zinc/97/20/53/445972053.db2.gz IMLWWEGCVZXKSJ-LJQANCHMSA-N 3 2 344.507 1.146 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cn2)CC1 ZINC000354176060 445972059 /nfs/dbraw/zinc/97/20/59/445972059.db2.gz IMLWWEGCVZXKSJ-LJQANCHMSA-N 3 2 344.507 1.146 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cn2)CC1 ZINC000354176060 445972066 /nfs/dbraw/zinc/97/20/66/445972066.db2.gz IMLWWEGCVZXKSJ-LJQANCHMSA-N 3 2 344.507 1.146 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cn2)CC1 ZINC000354176060 445972071 /nfs/dbraw/zinc/97/20/71/445972071.db2.gz IMLWWEGCVZXKSJ-LJQANCHMSA-N 3 2 344.507 1.146 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000359133449 445972277 /nfs/dbraw/zinc/97/22/77/445972277.db2.gz XKPRRKXLNPKKHD-CYBMUJFWSA-N 2 2 329.404 1.182 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000359133449 445972278 /nfs/dbraw/zinc/97/22/78/445972278.db2.gz XKPRRKXLNPKKHD-CYBMUJFWSA-N 2 2 329.404 1.182 20 0 EDADLP c1nc(N2CCC[N@@H+](C3CCOCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000365051088 445994607 /nfs/dbraw/zinc/99/46/07/445994607.db2.gz ZOFKQDYELKFMAB-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP c1nc(N2CCC[N@H+](C3CCOCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000365051088 445994612 /nfs/dbraw/zinc/99/46/12/445994612.db2.gz ZOFKQDYELKFMAB-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000369143900 445951583 /nfs/dbraw/zinc/95/15/83/445951583.db2.gz MXNPSBOOZFYXKF-KLAILNCOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000365117192 446036887 /nfs/dbraw/zinc/03/68/87/446036887.db2.gz BWZCXRGJKCPTKA-HKUYNNGSSA-N 2 2 345.487 1.703 20 0 EDADLP Cc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000369276742 446043099 /nfs/dbraw/zinc/04/30/99/446043099.db2.gz IMPFNEGRVNLZGL-QGZVFWFLSA-N 2 2 345.487 1.967 20 0 EDADLP Cc1ccc(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000369276742 446043106 /nfs/dbraw/zinc/04/31/06/446043106.db2.gz IMPFNEGRVNLZGL-QGZVFWFLSA-N 2 2 345.487 1.967 20 0 EDADLP Cc1ccsc1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000359174890 446000303 /nfs/dbraw/zinc/00/03/03/446000303.db2.gz LKLAZWCEIXXSNP-UHFFFAOYSA-N 2 2 338.521 1.924 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000361860386 446013523 /nfs/dbraw/zinc/01/35/23/446013523.db2.gz MCVUGFURHUTIHN-UHFFFAOYSA-N 2 2 339.399 1.355 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000583541792 326090998 /nfs/dbraw/zinc/09/09/98/326090998.db2.gz DXXXIZJLMKQMOZ-RDJZCZTQSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000583541792 326090999 /nfs/dbraw/zinc/09/09/99/326090999.db2.gz DXXXIZJLMKQMOZ-RDJZCZTQSA-N 2 2 340.427 1.651 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nccn2CC(F)(F)F)CC1 ZINC000583630551 326108046 /nfs/dbraw/zinc/10/80/46/326108046.db2.gz HMIMVVCWHOUCBO-OCCSQVGLSA-N 2 2 332.370 1.774 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn2c1 ZINC000583682403 326117054 /nfs/dbraw/zinc/11/70/54/326117054.db2.gz MLVOKACBOUWHRS-CWRNSKLLSA-N 2 2 327.432 1.912 20 0 EDADLP [NH3+]Cc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000584053584 326191230 /nfs/dbraw/zinc/19/12/30/326191230.db2.gz QVBXFJFSKZTXCW-UHFFFAOYSA-N 3 2 332.492 1.032 20 0 EDADLP [NH3+]Cc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000584053584 326191232 /nfs/dbraw/zinc/19/12/32/326191232.db2.gz QVBXFJFSKZTXCW-UHFFFAOYSA-N 3 2 332.492 1.032 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000584162017 326210914 /nfs/dbraw/zinc/21/09/14/326210914.db2.gz XONZVTSDPOBGLK-HOCLYGCPSA-N 2 2 327.432 1.808 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC1CCOCC1 ZINC000369312369 446066024 /nfs/dbraw/zinc/06/60/24/446066024.db2.gz NXVDYGFLDZRJBG-HDICACEKSA-N 2 2 343.471 1.345 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC1CCOCC1 ZINC000369312369 446066027 /nfs/dbraw/zinc/06/60/27/446066027.db2.gz NXVDYGFLDZRJBG-HDICACEKSA-N 2 2 343.471 1.345 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)NC1CCOCC1 ZINC000369312369 446066031 /nfs/dbraw/zinc/06/60/31/446066031.db2.gz NXVDYGFLDZRJBG-HDICACEKSA-N 2 2 343.471 1.345 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)NC1CCOCC1 ZINC000369312369 446066034 /nfs/dbraw/zinc/06/60/34/446066034.db2.gz NXVDYGFLDZRJBG-HDICACEKSA-N 2 2 343.471 1.345 20 0 EDADLP CN(C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C1CC[NH2+]CC1 ZINC000584280673 326233638 /nfs/dbraw/zinc/23/36/38/326233638.db2.gz JOJVELIWIJEOJD-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H]1CSCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000365202945 446077384 /nfs/dbraw/zinc/07/73/84/446077384.db2.gz MJLBZZWJPQRAMQ-HUUCEWRRSA-N 2 2 340.537 1.549 20 0 EDADLP C[C@H]1CSCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000365202945 446077387 /nfs/dbraw/zinc/07/73/87/446077387.db2.gz MJLBZZWJPQRAMQ-HUUCEWRRSA-N 2 2 340.537 1.549 20 0 EDADLP Cn1nccc1-c1ccccc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000351479740 446080620 /nfs/dbraw/zinc/08/06/20/446080620.db2.gz MUXFDZSOZSDVAH-UHFFFAOYSA-N 2 2 328.460 1.976 20 0 EDADLP Cn1nccc1-c1ccccc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000351479740 446080626 /nfs/dbraw/zinc/08/06/26/446080626.db2.gz MUXFDZSOZSDVAH-UHFFFAOYSA-N 2 2 328.460 1.976 20 0 EDADLP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359306350 446137970 /nfs/dbraw/zinc/13/79/70/446137970.db2.gz LXUPJKJFGWRHOX-KFWWJZLASA-N 2 2 342.443 1.292 20 0 EDADLP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359306350 446137976 /nfs/dbraw/zinc/13/79/76/446137976.db2.gz LXUPJKJFGWRHOX-KFWWJZLASA-N 2 2 342.443 1.292 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]12 ZINC000351496739 446100813 /nfs/dbraw/zinc/10/08/13/446100813.db2.gz SEWIMLNEOACSRO-DJIMGWMZSA-N 2 2 343.475 1.680 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]12 ZINC000351496739 446100815 /nfs/dbraw/zinc/10/08/15/446100815.db2.gz SEWIMLNEOACSRO-DJIMGWMZSA-N 2 2 343.475 1.680 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](Cc2ccccc2)C(F)F)CC1 ZINC000354311559 446103062 /nfs/dbraw/zinc/10/30/62/446103062.db2.gz LPOLCYDDSKMZER-HNNXBMFYSA-N 2 2 325.403 1.617 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCCc1nc2ccccc2s1 ZINC000359311525 446140842 /nfs/dbraw/zinc/14/08/42/446140842.db2.gz RVADIUUXLICQCE-STQMWFEESA-N 2 2 330.457 1.106 20 0 EDADLP COCC[C@@]1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[NH2+]C1 ZINC000366337833 446161678 /nfs/dbraw/zinc/16/16/78/446161678.db2.gz KUBZTEBFGQEKHP-SFHVURJKSA-N 2 2 332.448 1.314 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C[C@H](C)O1 ZINC000356964174 446162422 /nfs/dbraw/zinc/16/24/22/446162422.db2.gz WPZVTSKOFWRXSD-XWTMOSNGSA-N 2 2 348.491 1.286 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C[C@H](C)O1 ZINC000356964174 446162428 /nfs/dbraw/zinc/16/24/28/446162428.db2.gz WPZVTSKOFWRXSD-XWTMOSNGSA-N 2 2 348.491 1.286 20 0 EDADLP COCCSCCC[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000365384470 446180270 /nfs/dbraw/zinc/18/02/70/446180270.db2.gz KVAFKPCRTRTTQC-DLBZAZTESA-N 2 2 345.553 1.093 20 0 EDADLP COCCSCCC[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000365384470 446180272 /nfs/dbraw/zinc/18/02/72/446180272.db2.gz KVAFKPCRTRTTQC-DLBZAZTESA-N 2 2 345.553 1.093 20 0 EDADLP COCCSCCC[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000365384470 446180274 /nfs/dbraw/zinc/18/02/74/446180274.db2.gz KVAFKPCRTRTTQC-DLBZAZTESA-N 2 2 345.553 1.093 20 0 EDADLP COCCSCCC[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000365384470 446180275 /nfs/dbraw/zinc/18/02/75/446180275.db2.gz KVAFKPCRTRTTQC-DLBZAZTESA-N 2 2 345.553 1.093 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)C2 ZINC000366394808 446191152 /nfs/dbraw/zinc/19/11/52/446191152.db2.gz IQLIATFNONPQLF-KKUMJFAQSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)C2 ZINC000366394808 446191157 /nfs/dbraw/zinc/19/11/57/446191157.db2.gz IQLIATFNONPQLF-KKUMJFAQSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)CC2 ZINC000366394808 446191163 /nfs/dbraw/zinc/19/11/63/446191163.db2.gz IQLIATFNONPQLF-KKUMJFAQSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)CC2 ZINC000366394808 446191168 /nfs/dbraw/zinc/19/11/68/446191168.db2.gz IQLIATFNONPQLF-KKUMJFAQSA-N 2 2 348.491 1.552 20 0 EDADLP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000354363361 446146022 /nfs/dbraw/zinc/14/60/22/446146022.db2.gz UVADBGSOMNVUQV-IBGZPJMESA-N 2 2 343.471 1.368 20 0 EDADLP O=C(CC[N@H+]1CCc2ccccc2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000354363361 446146027 /nfs/dbraw/zinc/14/60/27/446146027.db2.gz UVADBGSOMNVUQV-IBGZPJMESA-N 2 2 343.471 1.368 20 0 EDADLP CC[N@H+](C)Cc1cccc(CNc2ncnc3c2C[NH+](C)CC3)c1 ZINC000369821830 446158051 /nfs/dbraw/zinc/15/80/51/446158051.db2.gz IHXSKHPJWYBOBS-UHFFFAOYSA-N 2 2 325.460 2.528 20 0 EDADLP CC[N@@H+](C)Cc1cccc(CNc2ncnc3c2C[NH+](C)CC3)c1 ZINC000369821830 446158052 /nfs/dbraw/zinc/15/80/52/446158052.db2.gz IHXSKHPJWYBOBS-UHFFFAOYSA-N 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ZINC000420319882 446486589 /nfs/dbraw/zinc/48/65/89/446486589.db2.gz AUZTZHYFBQGXNF-AWEZNQCLSA-N 2 2 335.423 1.760 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1F ZINC000420319882 446486595 /nfs/dbraw/zinc/48/65/95/446486595.db2.gz AUZTZHYFBQGXNF-AWEZNQCLSA-N 2 2 335.423 1.760 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000423319411 446488295 /nfs/dbraw/zinc/48/82/95/446488295.db2.gz FEXRWOUWACQZSN-WDSOQIARSA-N 2 2 345.487 1.873 20 0 EDADLP CCOC(CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OCC ZINC000375069251 446559583 /nfs/dbraw/zinc/55/95/83/446559583.db2.gz HYEFADTYSHLWKW-HNNXBMFYSA-N 2 2 341.496 1.403 20 0 EDADLP CCOC(CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)OCC ZINC000375069251 446559591 /nfs/dbraw/zinc/55/95/91/446559591.db2.gz HYEFADTYSHLWKW-HNNXBMFYSA-N 2 2 341.496 1.403 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCc1c(F)cccc1F ZINC000420388887 446563519 /nfs/dbraw/zinc/56/35/19/446563519.db2.gz XHZWGMMJKALRLB-GOSISDBHSA-N 2 2 337.414 1.699 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCc1c(F)cccc1F ZINC000420388887 446563526 /nfs/dbraw/zinc/56/35/26/446563526.db2.gz XHZWGMMJKALRLB-GOSISDBHSA-N 2 2 337.414 1.699 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418370458 446518429 /nfs/dbraw/zinc/51/84/29/446518429.db2.gz WDFWPUCGDMPOMD-SKHCZCESSA-N 2 2 330.476 1.883 20 0 EDADLP CCN1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000432947106 446518537 /nfs/dbraw/zinc/51/85/37/446518537.db2.gz BTGRFTMLQDZJIZ-AWEZNQCLSA-N 2 2 331.424 1.085 20 0 EDADLP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418372548 446520044 /nfs/dbraw/zinc/52/00/44/446520044.db2.gz AOWMQUAAFZAMSK-KSZLIROESA-N 2 2 344.459 1.033 20 0 EDADLP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418372548 446520046 /nfs/dbraw/zinc/52/00/46/446520046.db2.gz AOWMQUAAFZAMSK-KSZLIROESA-N 2 2 344.459 1.033 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000418382336 446522621 /nfs/dbraw/zinc/52/26/21/446522621.db2.gz IMZFUXLZUPLHTA-HOTGVXAUSA-N 2 2 348.491 1.939 20 0 EDADLP COC[C@]1(CN[C@@H](C[NH+]2CCOCC2)c2ccccc2C)CCC[NH2+]1 ZINC000423418007 446525160 /nfs/dbraw/zinc/52/51/60/446525160.db2.gz TYRYHCRUCCDYCR-VQTJNVASSA-N 2 2 347.503 1.727 20 0 EDADLP COC[C@]1(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2C)CCC[NH2+]1 ZINC000423418007 446525166 /nfs/dbraw/zinc/52/51/66/446525166.db2.gz TYRYHCRUCCDYCR-VQTJNVASSA-N 2 2 347.503 1.727 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433035873 446532351 /nfs/dbraw/zinc/53/23/51/446532351.db2.gz OFGWZZLVOOXDLF-GDBMZVCRSA-N 2 2 337.468 1.671 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433035873 446532357 /nfs/dbraw/zinc/53/23/57/446532357.db2.gz OFGWZZLVOOXDLF-GDBMZVCRSA-N 2 2 337.468 1.671 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)C[C@@H]21 ZINC000375037647 446533106 /nfs/dbraw/zinc/53/31/06/446533106.db2.gz JJLLXUFTLMAFNF-OAGGEKHMSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)C[C@@H]21 ZINC000375037647 446533114 /nfs/dbraw/zinc/53/31/14/446533114.db2.gz JJLLXUFTLMAFNF-OAGGEKHMSA-N 2 2 331.464 1.216 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420355973 446536163 /nfs/dbraw/zinc/53/61/63/446536163.db2.gz FWLJIRBIQSVUBW-AWEZNQCLSA-N 2 2 327.856 1.928 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420356393 446536411 /nfs/dbraw/zinc/53/64/11/446536411.db2.gz CTDTUCRVOLCOBG-KUHUBIRLSA-N 2 2 344.459 1.449 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420356393 446536415 /nfs/dbraw/zinc/53/64/15/446536415.db2.gz CTDTUCRVOLCOBG-KUHUBIRLSA-N 2 2 344.459 1.449 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000420358219 446537423 /nfs/dbraw/zinc/53/74/23/446537423.db2.gz TWXGECHQJIRXBC-STQMWFEESA-N 2 2 331.338 1.062 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000420358219 446537432 /nfs/dbraw/zinc/53/74/32/446537432.db2.gz TWXGECHQJIRXBC-STQMWFEESA-N 2 2 331.338 1.062 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000423441347 446539206 /nfs/dbraw/zinc/53/92/06/446539206.db2.gz YIGHDTFYWWJXIS-HNNXBMFYSA-N 2 2 344.415 1.023 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000453088938 446542624 /nfs/dbraw/zinc/54/26/24/446542624.db2.gz QJAKEYUPURNAKF-DNVCBOLYSA-N 2 2 326.444 1.416 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000453088938 446542635 /nfs/dbraw/zinc/54/26/35/446542635.db2.gz QJAKEYUPURNAKF-DNVCBOLYSA-N 2 2 326.444 1.416 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)cc[nH+]1 ZINC000418438271 446543617 /nfs/dbraw/zinc/54/36/17/446543617.db2.gz YSJSHGHKNJBQQU-INIZCTEOSA-N 2 2 340.431 1.317 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420364268 446544240 /nfs/dbraw/zinc/54/42/40/446544240.db2.gz KCDXOFKYGVMERV-SFHVURJKSA-N 2 2 333.476 1.946 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453119627 446546172 /nfs/dbraw/zinc/54/61/72/446546172.db2.gz KQUGVFFNDMNPSX-UHFFFAOYSA-N 2 2 345.531 1.914 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000418448008 446546372 /nfs/dbraw/zinc/54/63/72/446546372.db2.gz IYCHSSQPLSMXDH-ZWKOTPCHSA-N 2 2 346.475 1.583 20 0 EDADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000420373898 446550362 /nfs/dbraw/zinc/55/03/62/446550362.db2.gz RLRPOBBGLVASOB-MJQMVNBJSA-N 2 2 344.503 1.700 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420377832 446554508 /nfs/dbraw/zinc/55/45/08/446554508.db2.gz LJJMVZNRSUZKIL-MGPQQGTHSA-N 2 2 333.432 1.702 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420377832 446554513 /nfs/dbraw/zinc/55/45/13/446554513.db2.gz LJJMVZNRSUZKIL-MGPQQGTHSA-N 2 2 333.432 1.702 20 0 EDADLP CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000411468225 446556803 /nfs/dbraw/zinc/55/68/03/446556803.db2.gz AJPSFXFDOMYCFX-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000411468225 446556811 /nfs/dbraw/zinc/55/68/11/446556811.db2.gz AJPSFXFDOMYCFX-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCCCN(C)c1ccccc1 ZINC000420380737 446557338 /nfs/dbraw/zinc/55/73/38/446557338.db2.gz YRFVXFCYNPPLMJ-MDZRGWNJSA-N 2 2 332.492 1.605 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)C2CC2)cc1 ZINC000420398101 446572129 /nfs/dbraw/zinc/57/21/29/446572129.db2.gz YLNIBQCFLSVWKW-GOSISDBHSA-N 2 2 347.459 1.236 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)C2CC2)cc1 ZINC000420398101 446572132 /nfs/dbraw/zinc/57/21/32/446572132.db2.gz YLNIBQCFLSVWKW-GOSISDBHSA-N 2 2 347.459 1.236 20 0 EDADLP [NH3+]C1(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCC1 ZINC000418507993 446572131 /nfs/dbraw/zinc/57/21/31/446572131.db2.gz JUMQXSZGSSRVEP-UHFFFAOYSA-N 2 2 332.448 1.274 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)C1CC[NH+](CC(F)F)CC1 ZINC000367915368 446608081 /nfs/dbraw/zinc/60/80/81/446608081.db2.gz ILYIQZKBPSIVEJ-LSDHHAIUSA-N 2 2 345.434 1.333 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)C1CC[NH+](CC(F)F)CC1 ZINC000367915368 446608085 /nfs/dbraw/zinc/60/80/85/446608085.db2.gz ILYIQZKBPSIVEJ-LSDHHAIUSA-N 2 2 345.434 1.333 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)CC1 ZINC000371117344 446637277 /nfs/dbraw/zinc/63/72/77/446637277.db2.gz FSNFSANCGGCZLR-CQSZACIVSA-N 2 2 345.491 1.189 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCC[NH+]2CCCC2)C1 ZINC000434477069 446648125 /nfs/dbraw/zinc/64/81/25/446648125.db2.gz MWIFVBKBBNEQNX-KRWDZBQOSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCC[NH+]2CCCC2)C1 ZINC000434477069 446648129 /nfs/dbraw/zinc/64/81/29/446648129.db2.gz MWIFVBKBBNEQNX-KRWDZBQOSA-N 2 2 338.496 1.225 20 0 EDADLP Cc1cc(N)cc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000418744430 446664565 /nfs/dbraw/zinc/66/45/65/446664565.db2.gz LUGRGNFBNVLYPB-UHFFFAOYSA-N 2 2 347.507 1.745 20 0 EDADLP Cc1cc(N)cc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000418744430 446664574 /nfs/dbraw/zinc/66/45/74/446664574.db2.gz LUGRGNFBNVLYPB-UHFFFAOYSA-N 2 2 347.507 1.745 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423648326 446625101 /nfs/dbraw/zinc/62/51/01/446625101.db2.gz DKPLJHGFGRTDKK-KRWDZBQOSA-N 2 2 345.443 1.751 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423648326 446625104 /nfs/dbraw/zinc/62/51/04/446625104.db2.gz DKPLJHGFGRTDKK-KRWDZBQOSA-N 2 2 345.443 1.751 20 0 EDADLP Cc1nc(N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c(C)c(C)[nH+]1 ZINC000434225940 446628072 /nfs/dbraw/zinc/62/80/72/446628072.db2.gz NFWLOKPKLOEKTQ-CQSZACIVSA-N 2 2 343.435 1.190 20 0 EDADLP Cc1nc(N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c(C)c(C)[nH+]1 ZINC000434225940 446628080 /nfs/dbraw/zinc/62/80/80/446628080.db2.gz NFWLOKPKLOEKTQ-CQSZACIVSA-N 2 2 343.435 1.190 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368092014 446635028 /nfs/dbraw/zinc/63/50/28/446635028.db2.gz ZFGFEIKMBIJVCA-AWEZNQCLSA-N 2 2 328.416 1.524 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368092014 446635036 /nfs/dbraw/zinc/63/50/36/446635036.db2.gz ZFGFEIKMBIJVCA-AWEZNQCLSA-N 2 2 328.416 1.524 20 0 EDADLP C[NH+](C)[C@H](CNc1nc(N[C@@H]2CCCOC2)cc[nH+]1)c1ccco1 ZINC000435345858 446692584 /nfs/dbraw/zinc/69/25/84/446692584.db2.gz LOBPMTAIBJFBTL-ZIAGYGMSSA-N 2 2 331.420 2.375 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000368186695 446693787 /nfs/dbraw/zinc/69/37/87/446693787.db2.gz AEZDPTYLKRQTBL-DOTOQJQBSA-N 2 2 343.475 1.786 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000368186695 446693792 /nfs/dbraw/zinc/69/37/92/446693792.db2.gz AEZDPTYLKRQTBL-DOTOQJQBSA-N 2 2 343.475 1.786 20 0 EDADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000423821813 446711349 /nfs/dbraw/zinc/71/13/49/446711349.db2.gz IVJPRVIXINKANV-QGZVFWFLSA-N 2 2 342.443 1.751 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000376797651 446725092 /nfs/dbraw/zinc/72/50/92/446725092.db2.gz YSLYTRKAXZWYET-JYJNAYRXSA-N 2 2 349.500 1.664 20 0 EDADLP CCC[C@H](C(=O)N1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)[NH+](C)C ZINC000376805296 446729160 /nfs/dbraw/zinc/72/91/60/446729160.db2.gz UOLDGKLBOCWUIO-OAHLLOKOSA-N 2 2 340.512 1.166 20 0 EDADLP CCC[C@H](C(=O)N1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)[NH+](C)C ZINC000376805296 446729167 /nfs/dbraw/zinc/72/91/67/446729167.db2.gz UOLDGKLBOCWUIO-OAHLLOKOSA-N 2 2 340.512 1.166 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000423853327 446731702 /nfs/dbraw/zinc/73/17/02/446731702.db2.gz WROVXQHRJPYUOT-IBGZPJMESA-N 2 2 346.475 1.807 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000376811520 446733510 /nfs/dbraw/zinc/73/35/10/446733510.db2.gz JUOQKRRFETWWTH-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000376811520 446733519 /nfs/dbraw/zinc/73/35/19/446733519.db2.gz JUOQKRRFETWWTH-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000376811520 446733525 /nfs/dbraw/zinc/73/35/25/446733525.db2.gz JUOQKRRFETWWTH-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000376811520 446733532 /nfs/dbraw/zinc/73/35/32/446733532.db2.gz JUOQKRRFETWWTH-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)[C@H](C)C1 ZINC000423862576 446735709 /nfs/dbraw/zinc/73/57/09/446735709.db2.gz TUGHLVLOEKACAT-RHSMWYFYSA-N 2 2 335.448 1.092 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H](C[NH3+])OC)[C@H](C)C1 ZINC000423862576 446735714 /nfs/dbraw/zinc/73/57/14/446735714.db2.gz TUGHLVLOEKACAT-RHSMWYFYSA-N 2 2 335.448 1.092 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423913195 446763425 /nfs/dbraw/zinc/76/34/25/446763425.db2.gz JHQLVTNVPLNXKM-KKUMJFAQSA-N 2 2 339.459 1.164 20 0 EDADLP C[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC[NH2+]C1 ZINC000423918442 446767277 /nfs/dbraw/zinc/76/72/77/446767277.db2.gz PKPPLYDRMQADLD-XEZPLFJOSA-N 2 2 325.453 1.776 20 0 EDADLP C[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC[NH2+]C1 ZINC000423918442 446767281 /nfs/dbraw/zinc/76/72/81/446767281.db2.gz PKPPLYDRMQADLD-XEZPLFJOSA-N 2 2 325.453 1.776 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423919937 446767996 /nfs/dbraw/zinc/76/79/96/446767996.db2.gz RCLXRQVLHWMREL-OBJOEFQTSA-N 2 2 329.441 1.093 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423919937 446768000 /nfs/dbraw/zinc/76/80/00/446768000.db2.gz RCLXRQVLHWMREL-OBJOEFQTSA-N 2 2 329.441 1.093 20 0 EDADLP OC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCOC1 ZINC000411990330 446775406 /nfs/dbraw/zinc/77/54/06/446775406.db2.gz RDAHEIMCWSUXHX-ICSRJNTNSA-N 2 2 347.503 1.576 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000423932758 446784009 /nfs/dbraw/zinc/78/40/09/446784009.db2.gz PVHMOMUGXNZPDU-XSLAGTTESA-N 2 2 331.460 1.644 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000423932758 446784011 /nfs/dbraw/zinc/78/40/11/446784011.db2.gz PVHMOMUGXNZPDU-XSLAGTTESA-N 2 2 331.460 1.644 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371283943 446741488 /nfs/dbraw/zinc/74/14/88/446741488.db2.gz MYQNGZWGSVLWQR-HOTGVXAUSA-N 2 2 335.452 1.134 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371283943 446741492 /nfs/dbraw/zinc/74/14/92/446741492.db2.gz MYQNGZWGSVLWQR-HOTGVXAUSA-N 2 2 335.452 1.134 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000368392822 446832711 /nfs/dbraw/zinc/83/27/11/446832711.db2.gz HNUXWBXEJALGOO-HNNXBMFYSA-N 2 2 335.452 1.293 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000368392822 446832720 /nfs/dbraw/zinc/83/27/20/446832720.db2.gz HNUXWBXEJALGOO-HNNXBMFYSA-N 2 2 335.452 1.293 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000371427034 446849263 /nfs/dbraw/zinc/84/92/63/446849263.db2.gz SBZNQMBMBRIGLV-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000371427034 446849265 /nfs/dbraw/zinc/84/92/65/446849265.db2.gz SBZNQMBMBRIGLV-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)c[nH+]1 ZINC000438884635 446803447 /nfs/dbraw/zinc/80/34/47/446803447.db2.gz SEONZSKESQCIQQ-INIZCTEOSA-N 2 2 337.427 1.815 20 0 EDADLP Cc1cc(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc(C)[nH+]1 ZINC000420846434 446853939 /nfs/dbraw/zinc/85/39/39/446853939.db2.gz JCUOXIQIEQJXLV-QGZVFWFLSA-N 2 2 334.464 1.854 20 0 EDADLP Cc1cc(CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(C)[nH+]1 ZINC000420846434 446853946 /nfs/dbraw/zinc/85/39/46/446853946.db2.gz JCUOXIQIEQJXLV-QGZVFWFLSA-N 2 2 334.464 1.854 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1ccccc1 ZINC000418998052 446855875 /nfs/dbraw/zinc/85/58/75/446855875.db2.gz GXMIUVAMCALHNP-HZPDHXFCSA-N 2 2 346.475 1.228 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1ccccc1 ZINC000418998052 446855881 /nfs/dbraw/zinc/85/58/81/446855881.db2.gz GXMIUVAMCALHNP-HZPDHXFCSA-N 2 2 346.475 1.228 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000377031547 446873228 /nfs/dbraw/zinc/87/32/28/446873228.db2.gz KAWAQQQIXSXEFK-HKUYNNGSSA-N 3 2 337.556 1.418 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000377031547 446873230 /nfs/dbraw/zinc/87/32/30/446873230.db2.gz KAWAQQQIXSXEFK-HKUYNNGSSA-N 3 2 337.556 1.418 20 0 EDADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905244 446880457 /nfs/dbraw/zinc/88/04/57/446880457.db2.gz QSNPVQOUXKSYJY-QAPCUYQASA-N 2 2 331.460 1.605 20 0 EDADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905244 446880467 /nfs/dbraw/zinc/88/04/67/446880467.db2.gz QSNPVQOUXKSYJY-QAPCUYQASA-N 2 2 331.460 1.605 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C(N)=O)C1 ZINC000420923559 446891861 /nfs/dbraw/zinc/89/18/61/446891861.db2.gz QNIGZOIQALFLDV-QAPCUYQASA-N 2 2 331.460 1.605 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C(N)=O)C1 ZINC000420923559 446891863 /nfs/dbraw/zinc/89/18/63/446891863.db2.gz QNIGZOIQALFLDV-QAPCUYQASA-N 2 2 331.460 1.605 20 0 EDADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)C(F)(F)F ZINC000420937465 446909111 /nfs/dbraw/zinc/90/91/11/446909111.db2.gz LPMPQZHDMHTAGD-HNNXBMFYSA-N 2 2 332.366 1.874 20 0 EDADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)C(F)(F)F ZINC000420937465 446909120 /nfs/dbraw/zinc/90/91/20/446909120.db2.gz LPMPQZHDMHTAGD-HNNXBMFYSA-N 2 2 332.366 1.874 20 0 EDADLP C[C@@H]1C[C@H](CO)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000420946299 446918407 /nfs/dbraw/zinc/91/84/07/446918407.db2.gz SFZABGVKSJKTEN-SJORKVTESA-N 2 2 346.475 1.071 20 0 EDADLP C[C@@H]1C[C@H](CO)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000420946299 446918417 /nfs/dbraw/zinc/91/84/17/446918417.db2.gz SFZABGVKSJKTEN-SJORKVTESA-N 2 2 346.475 1.071 20 0 EDADLP CN(C)C(=O)[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420958939 446929671 /nfs/dbraw/zinc/92/96/71/446929671.db2.gz DWIASKCHWLROOP-SFHVURJKSA-N 2 2 331.460 1.429 20 0 EDADLP CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420958939 446929678 /nfs/dbraw/zinc/92/96/78/446929678.db2.gz DWIASKCHWLROOP-SFHVURJKSA-N 2 2 331.460 1.429 20 0 EDADLP CO[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000442658296 446927085 /nfs/dbraw/zinc/92/70/85/446927085.db2.gz UMFNRTQKVHUSAB-HOCLYGCPSA-N 2 2 326.485 1.221 20 0 EDADLP CN(C(=O)/C=C/c1cncc(O)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371604301 446936114 /nfs/dbraw/zinc/93/61/14/446936114.db2.gz CMSJTDAVMSHIMD-REMYHPOOSA-N 2 2 344.459 1.427 20 0 EDADLP CN(C(=O)/C=C/c1cncc(O)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371604301 446936123 /nfs/dbraw/zinc/93/61/23/446936123.db2.gz CMSJTDAVMSHIMD-REMYHPOOSA-N 2 2 344.459 1.427 20 0 EDADLP C[C@H]1COCCN1CC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375626278 446934030 /nfs/dbraw/zinc/93/40/30/446934030.db2.gz RRKCJNMDQSZWSE-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375626278 446934034 /nfs/dbraw/zinc/93/40/34/446934034.db2.gz RRKCJNMDQSZWSE-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375626278 446934038 /nfs/dbraw/zinc/93/40/38/446934038.db2.gz RRKCJNMDQSZWSE-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H]1COCC[N@H+]1CCN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375626278 446934043 /nfs/dbraw/zinc/93/40/43/446934043.db2.gz RRKCJNMDQSZWSE-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000420965698 446934097 /nfs/dbraw/zinc/93/40/97/446934097.db2.gz SZODWNSOYVYKIV-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H](C2CCCC2)C1)[NH+]1CCOCC1 ZINC000420965698 446934102 /nfs/dbraw/zinc/93/41/02/446934102.db2.gz SZODWNSOYVYKIV-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000442756719 446954232 /nfs/dbraw/zinc/95/42/32/446954232.db2.gz ADTXEXOXSKPFCE-ZIAGYGMSSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1N1CCCC1=O ZINC000442756719 446954237 /nfs/dbraw/zinc/95/42/37/446954237.db2.gz ADTXEXOXSKPFCE-ZIAGYGMSSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000372172678 447021219 /nfs/dbraw/zinc/02/12/19/447021219.db2.gz KYFPLOFETYENDS-CRAIPNDOSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000372172678 447021224 /nfs/dbraw/zinc/02/12/24/447021224.db2.gz KYFPLOFETYENDS-CRAIPNDOSA-N 2 2 345.491 1.953 20 0 EDADLP CCC[C@H](C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000442836867 446984194 /nfs/dbraw/zinc/98/41/94/446984194.db2.gz IWMMZQJHEGTUQH-KDOFPFPSSA-N 2 2 341.496 1.639 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000425005379 446987406 /nfs/dbraw/zinc/98/74/06/446987406.db2.gz WMTNWSGSLHKMCN-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000425005379 446987413 /nfs/dbraw/zinc/98/74/13/446987413.db2.gz WMTNWSGSLHKMCN-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H]1CCC(C)(C)O1 ZINC000368644660 447001909 /nfs/dbraw/zinc/00/19/09/447001909.db2.gz XETPHJFRDZAFKL-ZACQAIPSSA-N 2 2 325.497 1.281 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H]1CCC(C)(C)O1 ZINC000368644660 447001914 /nfs/dbraw/zinc/00/19/14/447001914.db2.gz XETPHJFRDZAFKL-ZACQAIPSSA-N 2 2 325.497 1.281 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H]1CCC(C)(C)O1 ZINC000368644660 447001917 /nfs/dbraw/zinc/00/19/17/447001917.db2.gz XETPHJFRDZAFKL-ZACQAIPSSA-N 2 2 325.497 1.281 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H]1CCC(C)(C)O1 ZINC000368644660 447001924 /nfs/dbraw/zinc/00/19/24/447001924.db2.gz XETPHJFRDZAFKL-ZACQAIPSSA-N 2 2 325.497 1.281 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C1 ZINC000368642746 447002119 /nfs/dbraw/zinc/00/21/19/447002119.db2.gz OLLSYSLLCIWESA-DLBZAZTESA-N 2 2 325.497 1.282 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C1 ZINC000368642746 447002126 /nfs/dbraw/zinc/00/21/26/447002126.db2.gz OLLSYSLLCIWESA-DLBZAZTESA-N 2 2 325.497 1.282 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CCC[C@H]([NH+](C)C)C3)[nH+]cn2)C1 ZINC000413175042 447049902 /nfs/dbraw/zinc/04/99/02/447049902.db2.gz QOLWWPYHSQFHBI-FZKCQIBNSA-N 2 2 333.480 1.968 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CCC[C@H]([NH+](C)C)C3)nc[nH+]2)C1 ZINC000413175042 447049906 /nfs/dbraw/zinc/04/99/06/447049906.db2.gz QOLWWPYHSQFHBI-FZKCQIBNSA-N 2 2 333.480 1.968 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@@H+]1CCOC ZINC000377302229 447051035 /nfs/dbraw/zinc/05/10/35/447051035.db2.gz BNCFTEPMFCMMQB-OAHLLOKOSA-N 2 2 349.479 1.472 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@H+]1CCOC ZINC000377302229 447051041 /nfs/dbraw/zinc/05/10/41/447051041.db2.gz BNCFTEPMFCMMQB-OAHLLOKOSA-N 2 2 349.479 1.472 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)nc[nH+]1 ZINC000413211592 447071974 /nfs/dbraw/zinc/07/19/74/447071974.db2.gz WRYLPABYSPKBRV-KGLIPLIRSA-N 2 2 330.436 1.462 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[nH+]cn1 ZINC000413211592 447071978 /nfs/dbraw/zinc/07/19/78/447071978.db2.gz WRYLPABYSPKBRV-KGLIPLIRSA-N 2 2 330.436 1.462 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485170 447080699 /nfs/dbraw/zinc/08/06/99/447080699.db2.gz PSNARULRYQFXQM-HOCLYGCPSA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485170 447080705 /nfs/dbraw/zinc/08/07/05/447080705.db2.gz PSNARULRYQFXQM-HOCLYGCPSA-N 2 2 338.496 1.412 20 0 EDADLP CCn1ccnc1[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C1CCOCC1 ZINC000425387432 447135545 /nfs/dbraw/zinc/13/55/45/447135545.db2.gz UYSVNKBSJSGTNS-MRXNPFEDSA-N 2 2 346.479 1.960 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000372567575 447147168 /nfs/dbraw/zinc/14/71/68/447147168.db2.gz VKMURHCHVMVLHD-BEFAXECRSA-N 2 2 331.460 1.227 20 0 EDADLP O=C1NCCN1[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000368859581 447164695 /nfs/dbraw/zinc/16/46/95/447164695.db2.gz OZOKXSFZWWYZEK-QGZVFWFLSA-N 2 2 325.416 1.862 20 0 EDADLP O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000368859581 447164701 /nfs/dbraw/zinc/16/47/01/447164701.db2.gz OZOKXSFZWWYZEK-QGZVFWFLSA-N 2 2 325.416 1.862 20 0 EDADLP C[N@H+](CCCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1CC1 ZINC000455610475 447183235 /nfs/dbraw/zinc/18/32/35/447183235.db2.gz LMANOHMDJMGKDB-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP C[N@@H+](CCCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1CC1 ZINC000455610475 447183244 /nfs/dbraw/zinc/18/32/44/447183244.db2.gz LMANOHMDJMGKDB-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCCc3cnccc3C)CC2)C1 ZINC000377539079 447190336 /nfs/dbraw/zinc/19/03/36/447190336.db2.gz BVVGLDXOMPEBKJ-FQEVSTJZSA-N 2 2 346.519 1.661 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCCc3cnccc3C)CC2)C1 ZINC000377539079 447190338 /nfs/dbraw/zinc/19/03/38/447190338.db2.gz BVVGLDXOMPEBKJ-FQEVSTJZSA-N 2 2 346.519 1.661 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CN(c3cc[nH+]c4ccsc43)CCO2)CC1 ZINC000375983133 447191213 /nfs/dbraw/zinc/19/12/13/447191213.db2.gz BPZITNKNBDOCDM-CQSZACIVSA-N 2 2 332.473 1.749 20 0 EDADLP CN1CC[NH+](C[C@@H]2CN(c3cc[nH+]c4ccsc43)CCO2)CC1 ZINC000375983133 447191224 /nfs/dbraw/zinc/19/12/24/447191224.db2.gz BPZITNKNBDOCDM-CQSZACIVSA-N 2 2 332.473 1.749 20 0 EDADLP c1ccc(C[N@H+]2CC[C@H]3CN(CCC[NH+]4CCOCC4)C[C@H]32)cc1 ZINC000425504668 447198960 /nfs/dbraw/zinc/19/89/60/447198960.db2.gz WVKPJGYRWKWKFA-VQTJNVASSA-N 2 2 329.488 1.915 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@H]3CN(CCC[NH+]4CCOCC4)C[C@H]32)cc1 ZINC000425504668 447198967 /nfs/dbraw/zinc/19/89/67/447198967.db2.gz WVKPJGYRWKWKFA-VQTJNVASSA-N 2 2 329.488 1.915 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C(=O)N1CCCCC1 ZINC000375955053 447171630 /nfs/dbraw/zinc/17/16/30/447171630.db2.gz PYRLCMXEWJGLJI-CQSZACIVSA-N 2 2 347.463 1.106 20 0 EDADLP COC[C@H](C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000446045872 447219565 /nfs/dbraw/zinc/21/95/65/447219565.db2.gz RPMPMVXITIKJAO-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cn21 ZINC000377594000 447230407 /nfs/dbraw/zinc/23/04/07/447230407.db2.gz UWEFPLCWIXESJW-HOTGVXAUSA-N 2 2 343.431 1.305 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cn21 ZINC000377594000 447230413 /nfs/dbraw/zinc/23/04/13/447230413.db2.gz UWEFPLCWIXESJW-HOTGVXAUSA-N 2 2 343.431 1.305 20 0 EDADLP CSC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368967652 447232532 /nfs/dbraw/zinc/23/25/32/447232532.db2.gz ZYCQYHGPPCJONN-UXIGCNINSA-N 2 2 329.535 1.975 20 0 EDADLP CSC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368967652 447232540 /nfs/dbraw/zinc/23/25/40/447232540.db2.gz ZYCQYHGPPCJONN-UXIGCNINSA-N 2 2 329.535 1.975 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(-c2cccnc2)n[nH]1 ZINC000377684969 447294690 /nfs/dbraw/zinc/29/46/90/447294690.db2.gz YNJDNDKWKJMRHF-UHFFFAOYSA-N 2 2 342.491 1.930 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(-c2cccnc2)n[nH]1 ZINC000377684969 447294692 /nfs/dbraw/zinc/29/46/92/447294692.db2.gz YNJDNDKWKJMRHF-UHFFFAOYSA-N 2 2 342.491 1.930 20 0 EDADLP CN(CC[N@H+](C)Cc1cc(-c2cccnc2)n[nH]1)C1CC[NH+](C)CC1 ZINC000377684969 447294694 /nfs/dbraw/zinc/29/46/94/447294694.db2.gz YNJDNDKWKJMRHF-UHFFFAOYSA-N 2 2 342.491 1.930 20 0 EDADLP CN(CC[N@@H+](C)Cc1cc(-c2cccnc2)n[nH]1)C1CC[NH+](C)CC1 ZINC000377684969 447294697 /nfs/dbraw/zinc/29/46/97/447294697.db2.gz YNJDNDKWKJMRHF-UHFFFAOYSA-N 2 2 342.491 1.930 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[NH+](Cc2cccnc2)CC1 ZINC000377685588 447294857 /nfs/dbraw/zinc/29/48/57/447294857.db2.gz ZVLRRIXCXSAFHH-INIZCTEOSA-N 2 2 325.416 1.500 20 0 EDADLP CN(Cc1cn(C(C)(C)C)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377630221 447257947 /nfs/dbraw/zinc/25/79/47/447257947.db2.gz QCGDHCCQMAGNPC-KRWDZBQOSA-N 2 2 334.512 1.633 20 0 EDADLP CN(Cc1cn(C(C)(C)C)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377630221 447257952 /nfs/dbraw/zinc/25/79/52/447257952.db2.gz QCGDHCCQMAGNPC-KRWDZBQOSA-N 2 2 334.512 1.633 20 0 EDADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCC1 ZINC000446844502 447260465 /nfs/dbraw/zinc/26/04/65/447260465.db2.gz UFUASEWZMQXWJH-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCC1 ZINC000446844502 447260470 /nfs/dbraw/zinc/26/04/70/447260470.db2.gz UFUASEWZMQXWJH-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[NH+]1CCOCC1 ZINC000369037377 447280566 /nfs/dbraw/zinc/28/05/66/447280566.db2.gz WXULXEOQCWFDTO-ZNMIVQPWSA-N 2 2 335.452 1.408 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)n1C ZINC000414257588 447282931 /nfs/dbraw/zinc/28/29/31/447282931.db2.gz DKWYDBQCZAHZKS-SFHVURJKSA-N 2 2 343.475 1.649 20 0 EDADLP CN(C)c1nc(N2CCC([N@H+](C)CCCO)CC2)[nH+]c2ccccc21 ZINC000450341368 447460278 /nfs/dbraw/zinc/46/02/78/447460278.db2.gz ZTYFFXQGZPMJCF-UHFFFAOYSA-N 2 2 343.475 1.979 20 0 EDADLP CN(C)c1nc(N2CCC([N@@H+](C)CCCO)CC2)[nH+]c2ccccc21 ZINC000450341368 447460282 /nfs/dbraw/zinc/46/02/82/447460282.db2.gz ZTYFFXQGZPMJCF-UHFFFAOYSA-N 2 2 343.475 1.979 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000450352369 447464826 /nfs/dbraw/zinc/46/48/26/447464826.db2.gz YCFFZELVQHDPSD-UHFFFAOYSA-N 2 2 343.471 1.968 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000387717297 447473931 /nfs/dbraw/zinc/47/39/31/447473931.db2.gz LBYJFMDLFRTFGJ-GDBMZVCRSA-N 2 2 325.478 1.496 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC[C@H]1[NH3+] ZINC000387717297 447473937 /nfs/dbraw/zinc/47/39/37/447473937.db2.gz LBYJFMDLFRTFGJ-GDBMZVCRSA-N 2 2 325.478 1.496 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401847185 447580692 /nfs/dbraw/zinc/58/06/92/447580692.db2.gz ADJORTUDUUDTAA-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401847185 447580697 /nfs/dbraw/zinc/58/06/97/447580697.db2.gz ADJORTUDUUDTAA-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)n1-c1ccccc1 ZINC000400166847 447569505 /nfs/dbraw/zinc/56/95/05/447569505.db2.gz JPLVBYZDMMJTQY-CQSZACIVSA-N 2 2 334.445 1.304 20 0 EDADLP CC[N@H+](CCNC(=O)CN1CC[NH+](CC)CC1)CCC(F)(F)F ZINC000427271772 447573731 /nfs/dbraw/zinc/57/37/31/447573731.db2.gz AVPFNAOUAXWIBW-UHFFFAOYSA-N 2 2 338.418 1.014 20 0 EDADLP COC(=O)c1ccc(N2CC[N@H+](CCc3c[nH+]cn3C)[C@H](C)C2)cc1 ZINC000459333249 447637369 /nfs/dbraw/zinc/63/73/69/447637369.db2.gz ZJZNWJQGDWHUJB-OAHLLOKOSA-N 2 2 342.443 1.960 20 0 EDADLP COC(=O)c1ccc(N2CC[N@@H+](CCc3c[nH+]cn3C)[C@H](C)C2)cc1 ZINC000459333249 447637374 /nfs/dbraw/zinc/63/73/74/447637374.db2.gz ZJZNWJQGDWHUJB-OAHLLOKOSA-N 2 2 342.443 1.960 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+](C)C2CC2)CCO1 ZINC000459158173 447599207 /nfs/dbraw/zinc/59/92/07/447599207.db2.gz MVGGZJQOWFQDGT-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+](C)C2CC2)CCO1 ZINC000459158173 447599218 /nfs/dbraw/zinc/59/92/18/447599218.db2.gz MVGGZJQOWFQDGT-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NCCCC[N@H+](C)C2CC2)CCO1 ZINC000459158173 447599223 /nfs/dbraw/zinc/59/92/23/447599223.db2.gz MVGGZJQOWFQDGT-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NCCCC[N@@H+](C)C2CC2)CCO1 ZINC000459158173 447599232 /nfs/dbraw/zinc/59/92/32/447599232.db2.gz MVGGZJQOWFQDGT-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000495888798 447620711 /nfs/dbraw/zinc/62/07/11/447620711.db2.gz BEBMSGZLHGUNBH-VHDGCEQUSA-N 2 2 327.469 1.287 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000495888798 447620720 /nfs/dbraw/zinc/62/07/20/447620720.db2.gz BEBMSGZLHGUNBH-VHDGCEQUSA-N 2 2 327.469 1.287 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000495888798 447620726 /nfs/dbraw/zinc/62/07/26/447620726.db2.gz BEBMSGZLHGUNBH-VHDGCEQUSA-N 2 2 327.469 1.287 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC000495888798 447620732 /nfs/dbraw/zinc/62/07/32/447620732.db2.gz BEBMSGZLHGUNBH-VHDGCEQUSA-N 2 2 327.469 1.287 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416889887 447702585 /nfs/dbraw/zinc/70/25/85/447702585.db2.gz LFAWKBUKUNRUFT-QZTJIDSGSA-N 2 2 348.491 1.877 20 0 EDADLP C[C@H]1CN(Cc2cnc(C3CC3)nc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459562478 447706502 /nfs/dbraw/zinc/70/65/02/447706502.db2.gz PXZNQVYPIURTPT-HNNXBMFYSA-N 2 2 329.492 1.954 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnc(C3CC3)nc2)CCN1C1CC[NH+](C)CC1 ZINC000459562478 447706506 /nfs/dbraw/zinc/70/65/06/447706506.db2.gz PXZNQVYPIURTPT-HNNXBMFYSA-N 2 2 329.492 1.954 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)CCN1C1CC[NH+](C)CC1 ZINC000459562478 447706511 /nfs/dbraw/zinc/70/65/11/447706511.db2.gz PXZNQVYPIURTPT-HNNXBMFYSA-N 2 2 329.492 1.954 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[NH2+]CC1)c1ccccc1F ZINC000416912462 447706701 /nfs/dbraw/zinc/70/67/01/447706701.db2.gz NKOZWCRTNJGINW-HNNXBMFYSA-N 2 2 331.395 1.654 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc(C)[nH+]1 ZINC000422592403 447659925 /nfs/dbraw/zinc/65/99/25/447659925.db2.gz STCXPDIWFKMHCF-KRWDZBQOSA-N 2 2 344.459 1.401 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408459919 447663225 /nfs/dbraw/zinc/66/32/25/447663225.db2.gz ZVJPVMKHNITOJJ-PMPSAXMXSA-N 2 2 331.526 1.699 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408459919 447663231 /nfs/dbraw/zinc/66/32/31/447663231.db2.gz ZVJPVMKHNITOJJ-PMPSAXMXSA-N 2 2 331.526 1.699 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422638885 447684331 /nfs/dbraw/zinc/68/43/31/447684331.db2.gz RQCREWYDLSZXFU-KRWDZBQOSA-N 2 2 342.487 1.552 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C(C)C)C3COC3)CC2)c1 ZINC000451120720 447690884 /nfs/dbraw/zinc/69/08/84/447690884.db2.gz NFLRGHAYWDUEQC-UHFFFAOYSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C(C)C)C3COC3)CC2)c1 ZINC000451120720 447690890 /nfs/dbraw/zinc/69/08/90/447690890.db2.gz NFLRGHAYWDUEQC-UHFFFAOYSA-N 2 2 345.487 1.748 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416921610 447710291 /nfs/dbraw/zinc/71/02/91/447710291.db2.gz UZBBATZYKNHNOZ-DAXOMENPSA-N 2 2 345.422 1.946 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1F ZINC000416926247 447711356 /nfs/dbraw/zinc/71/13/56/447711356.db2.gz YXTZZNUIGHAIOF-SWLSCSKDSA-N 2 2 331.395 1.781 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCCc3c(F)cccc3F)C2)C1 ZINC000429044389 447723949 /nfs/dbraw/zinc/72/39/49/447723949.db2.gz UHSBSKNNDAEDBU-GOSISDBHSA-N 2 2 337.414 1.651 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCCc3c(F)cccc3F)C2)C1 ZINC000429044389 447723953 /nfs/dbraw/zinc/72/39/53/447723953.db2.gz UHSBSKNNDAEDBU-GOSISDBHSA-N 2 2 337.414 1.651 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCCc3c(F)cccc3F)C2)C1 ZINC000429044389 447723962 /nfs/dbraw/zinc/72/39/62/447723962.db2.gz UHSBSKNNDAEDBU-GOSISDBHSA-N 2 2 337.414 1.651 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCCc3c(F)cccc3F)C2)C1 ZINC000429044389 447723967 /nfs/dbraw/zinc/72/39/67/447723967.db2.gz UHSBSKNNDAEDBU-GOSISDBHSA-N 2 2 337.414 1.651 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422835945 447764624 /nfs/dbraw/zinc/76/46/24/447764624.db2.gz ZKWNLOVXBSAHFL-IRXDYDNUSA-N 3 2 332.496 1.096 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417172789 447736735 /nfs/dbraw/zinc/73/67/35/447736735.db2.gz GFWSKRCOUWCNFB-SJLPKXTDSA-N 2 2 348.491 1.666 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000422761958 447742292 /nfs/dbraw/zinc/74/22/92/447742292.db2.gz NFLRQHDGJKVWDU-AEFFLSMTSA-N 3 2 333.476 1.615 20 0 EDADLP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000422763774 447743208 /nfs/dbraw/zinc/74/32/08/447743208.db2.gz PGOBPCPICDYHKL-RISCZKNCSA-N 2 2 331.869 1.348 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC1CCC([NH3+])CC1)CC2 ZINC000422767826 447745015 /nfs/dbraw/zinc/74/50/15/447745015.db2.gz RRULWRJWMAOOEL-UHFFFAOYSA-N 2 2 347.459 1.448 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC1CCC([NH3+])CC1)CC2 ZINC000422767826 447745018 /nfs/dbraw/zinc/74/50/18/447745018.db2.gz RRULWRJWMAOOEL-UHFFFAOYSA-N 2 2 347.459 1.448 20 0 EDADLP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422772257 447746003 /nfs/dbraw/zinc/74/60/03/447746003.db2.gz SHZRJVPVJYHLJJ-QGZVFWFLSA-N 3 2 339.487 1.963 20 0 EDADLP CC[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422773585 447747627 /nfs/dbraw/zinc/74/76/27/447747627.db2.gz YTEXGUNQLAKSQD-OALUTQOASA-N 2 2 344.503 1.846 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000422795775 447752105 /nfs/dbraw/zinc/75/21/05/447752105.db2.gz WPUVALFUIVHGMZ-QRQLOZEOSA-N 2 2 333.476 1.417 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422797340 447753094 /nfs/dbraw/zinc/75/30/94/447753094.db2.gz MDVHDXXUYLGPQM-MGPQQGTHSA-N 2 2 344.858 1.987 20 0 EDADLP CC(C)(C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000458280804 447760378 /nfs/dbraw/zinc/76/03/78/447760378.db2.gz PCVDFZDLUWYTJF-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CC(C)(C[NH+]1CCCC1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000458280804 447760384 /nfs/dbraw/zinc/76/03/84/447760384.db2.gz PCVDFZDLUWYTJF-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@H]([NH3+])C(C)C)CC2 ZINC000422846928 447767741 /nfs/dbraw/zinc/76/77/41/447767741.db2.gz GZMZCYYIUYFBQD-HNNXBMFYSA-N 2 2 335.448 1.161 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@H]([NH3+])C(C)C)CC2 ZINC000422846928 447767745 /nfs/dbraw/zinc/76/77/45/447767745.db2.gz GZMZCYYIUYFBQD-HNNXBMFYSA-N 2 2 335.448 1.161 20 0 EDADLP CC(C)COC(=O)N1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000496417831 447774872 /nfs/dbraw/zinc/77/48/72/447774872.db2.gz FSZTXCVXLYPOAS-MRXNPFEDSA-N 2 2 327.469 1.242 20 0 EDADLP CC(C)COC(=O)N1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000496417831 447774874 /nfs/dbraw/zinc/77/48/74/447774874.db2.gz FSZTXCVXLYPOAS-MRXNPFEDSA-N 2 2 327.469 1.242 20 0 EDADLP CC(C)COC(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000496417831 447774879 /nfs/dbraw/zinc/77/48/79/447774879.db2.gz FSZTXCVXLYPOAS-MRXNPFEDSA-N 2 2 327.469 1.242 20 0 EDADLP CC(C)COC(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000496417831 447774881 /nfs/dbraw/zinc/77/48/81/447774881.db2.gz FSZTXCVXLYPOAS-MRXNPFEDSA-N 2 2 327.469 1.242 20 0 EDADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1OCC(=O)N(C)C ZINC000422946653 447777849 /nfs/dbraw/zinc/77/78/49/447777849.db2.gz WYGKCGBNVJXUTD-HIFRSBDPSA-N 2 2 335.448 1.250 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000430783986 447784899 /nfs/dbraw/zinc/78/48/99/447784899.db2.gz GKLWESPWVFBCHH-RISCZKNCSA-N 2 2 327.375 1.062 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000430969497 447787997 /nfs/dbraw/zinc/78/79/97/447787997.db2.gz FANAIZARTDEXDE-HUUCEWRRSA-N 2 2 332.448 1.881 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000430969497 447787999 /nfs/dbraw/zinc/78/79/99/447787999.db2.gz FANAIZARTDEXDE-HUUCEWRRSA-N 2 2 332.448 1.881 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430971446 447788656 /nfs/dbraw/zinc/78/86/56/447788656.db2.gz NEHDJBNECSIZEH-WFASDCNBSA-N 2 2 341.402 1.916 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430971446 447788658 /nfs/dbraw/zinc/78/86/58/447788658.db2.gz NEHDJBNECSIZEH-WFASDCNBSA-N 2 2 341.402 1.916 20 0 EDADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)n1 ZINC000431101705 447791235 /nfs/dbraw/zinc/79/12/35/447791235.db2.gz PRSAGWOIELUTGV-UHFFFAOYSA-N 2 2 349.479 1.924 20 0 EDADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423045767 447796756 /nfs/dbraw/zinc/79/67/56/447796756.db2.gz SOSPBTVTBIIBQS-IRXDYDNUSA-N 2 2 338.473 1.337 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423108134 447805674 /nfs/dbraw/zinc/80/56/74/447805674.db2.gz SVXYVIYMQQVFGU-NEPJUHHUSA-N 2 2 335.832 1.227 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC3CCN(c4[nH+]ccn4C)CC3)ccn12 ZINC000575428011 447858668 /nfs/dbraw/zinc/85/86/68/447858668.db2.gz HVKXVANSESRXQO-UHFFFAOYSA-N 2 2 338.415 1.775 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496735255 447866537 /nfs/dbraw/zinc/86/65/37/447866537.db2.gz GKMZDBHORSWOMK-DAYGRLMNSA-N 2 2 338.496 1.079 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496735255 447866539 /nfs/dbraw/zinc/86/65/39/447866539.db2.gz GKMZDBHORSWOMK-DAYGRLMNSA-N 2 2 338.496 1.079 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496740887 447870967 /nfs/dbraw/zinc/87/09/67/447870967.db2.gz NNWUTXMYJCGJIL-MAUKXSAKSA-N 2 2 341.496 1.678 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496740887 447870973 /nfs/dbraw/zinc/87/09/73/447870973.db2.gz NNWUTXMYJCGJIL-MAUKXSAKSA-N 2 2 341.496 1.678 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496740887 447870979 /nfs/dbraw/zinc/87/09/79/447870979.db2.gz NNWUTXMYJCGJIL-MAUKXSAKSA-N 2 2 341.496 1.678 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496740887 447870987 /nfs/dbraw/zinc/87/09/87/447870987.db2.gz NNWUTXMYJCGJIL-MAUKXSAKSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCC3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000575672457 447879300 /nfs/dbraw/zinc/87/93/00/447879300.db2.gz NBJKQLIMHIBZED-HOCLYGCPSA-N 2 2 345.491 1.970 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCC3CC[NH+](C4CC4)CC3)[nH+]cn2)C1 ZINC000575672457 447879304 /nfs/dbraw/zinc/87/93/04/447879304.db2.gz NBJKQLIMHIBZED-HOCLYGCPSA-N 2 2 345.491 1.970 20 0 EDADLP CN1C[C@H](C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)OC1=O ZINC000497145548 447890762 /nfs/dbraw/zinc/89/07/62/447890762.db2.gz HEKJZXGIWFXBCG-OFQRWUPVSA-N 2 2 335.452 1.185 20 0 EDADLP CN1C[C@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)OC1=O ZINC000497145548 447890765 /nfs/dbraw/zinc/89/07/65/447890765.db2.gz HEKJZXGIWFXBCG-OFQRWUPVSA-N 2 2 335.452 1.185 20 0 EDADLP CN1C[C@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)OC1=O ZINC000497145548 447890770 /nfs/dbraw/zinc/89/07/70/447890770.db2.gz HEKJZXGIWFXBCG-OFQRWUPVSA-N 2 2 335.452 1.185 20 0 EDADLP CN1C[C@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)OC1=O ZINC000497145548 447890772 /nfs/dbraw/zinc/89/07/72/447890772.db2.gz HEKJZXGIWFXBCG-OFQRWUPVSA-N 2 2 335.452 1.185 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523666815 447897293 /nfs/dbraw/zinc/89/72/93/447897293.db2.gz YGFJRMXAWLQVSG-RDJZCZTQSA-N 2 2 327.432 1.695 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523666815 447897299 /nfs/dbraw/zinc/89/72/99/447897299.db2.gz YGFJRMXAWLQVSG-RDJZCZTQSA-N 2 2 327.432 1.695 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)CC1 ZINC000523719154 447904068 /nfs/dbraw/zinc/90/40/68/447904068.db2.gz BRLHSGIJYHOKNO-UHFFFAOYSA-N 2 2 327.432 1.659 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)CCn3cc[nH+]c3)cc2)CC1 ZINC000523719154 447904071 /nfs/dbraw/zinc/90/40/71/447904071.db2.gz BRLHSGIJYHOKNO-UHFFFAOYSA-N 2 2 327.432 1.659 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC000570154886 447955340 /nfs/dbraw/zinc/95/53/40/447955340.db2.gz HAFVDYXXCZBYTM-WCVJEAGWSA-N 2 2 340.439 1.653 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC000570154886 447955341 /nfs/dbraw/zinc/95/53/41/447955341.db2.gz HAFVDYXXCZBYTM-WCVJEAGWSA-N 2 2 340.439 1.653 20 0 EDADLP COc1c(N)[nH+]cnc1NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000570175762 447959531 /nfs/dbraw/zinc/95/95/31/447959531.db2.gz LQNKVOBBYAESDH-UHFFFAOYSA-N 2 2 346.435 1.996 20 0 EDADLP COc1c(N)nc[nH+]c1NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000570175762 447959537 /nfs/dbraw/zinc/95/95/37/447959537.db2.gz LQNKVOBBYAESDH-UHFFFAOYSA-N 2 2 346.435 1.996 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000575874189 447919049 /nfs/dbraw/zinc/91/90/49/447919049.db2.gz RYLYPPXXFBDOKB-QGZVFWFLSA-N 2 2 341.459 1.821 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000575874189 447919053 /nfs/dbraw/zinc/91/90/53/447919053.db2.gz RYLYPPXXFBDOKB-QGZVFWFLSA-N 2 2 341.459 1.821 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553426706 447993209 /nfs/dbraw/zinc/99/32/09/447993209.db2.gz JMFZTQRQOUZCQX-DLBZAZTESA-N 2 2 341.459 1.294 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000553426706 447993215 /nfs/dbraw/zinc/99/32/15/447993215.db2.gz JMFZTQRQOUZCQX-DLBZAZTESA-N 2 2 341.459 1.294 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC3(CC1)NC(=O)NC3=O)CCC2 ZINC000553846655 448008270 /nfs/dbraw/zinc/00/82/70/448008270.db2.gz KNBUHJTZXQFSHN-POZPTJLLSA-N 2 2 331.420 1.179 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000497213852 447967421 /nfs/dbraw/zinc/96/74/21/447967421.db2.gz YWNUBHXTXUOBCX-HNNXBMFYSA-N 2 2 342.465 1.646 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000497213852 447967426 /nfs/dbraw/zinc/96/74/26/447967426.db2.gz YWNUBHXTXUOBCX-HNNXBMFYSA-N 2 2 342.465 1.646 20 0 EDADLP COc1cccc(F)c1[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000553010757 447968902 /nfs/dbraw/zinc/96/89/02/447968902.db2.gz YKWSLLXQPSXFIX-KGLIPLIRSA-N 2 2 325.428 1.093 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)ccc2n1C ZINC000525907908 448055009 /nfs/dbraw/zinc/05/50/09/448055009.db2.gz MISQHATZMIMNMN-RYUDHWBXSA-N 2 2 343.431 1.371 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)ccc2n1C ZINC000525907908 448055012 /nfs/dbraw/zinc/05/50/12/448055012.db2.gz MISQHATZMIMNMN-RYUDHWBXSA-N 2 2 343.431 1.371 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000531295317 448057094 /nfs/dbraw/zinc/05/70/94/448057094.db2.gz VZYDIEJXTLAPBO-UHFFFAOYSA-N 2 2 344.463 1.475 20 0 EDADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570828028 448071947 /nfs/dbraw/zinc/07/19/47/448071947.db2.gz SRTQMNFCUZRUMD-SNPRPXQTSA-N 2 2 326.400 1.646 20 0 EDADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570828028 448071952 /nfs/dbraw/zinc/07/19/52/448071952.db2.gz SRTQMNFCUZRUMD-SNPRPXQTSA-N 2 2 326.400 1.646 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000571046828 448099446 /nfs/dbraw/zinc/09/94/46/448099446.db2.gz QPTSURYVCNAGAI-ULQDDVLXSA-N 2 2 345.491 1.218 20 0 EDADLP Cc1ccc(NC(=O)CC[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000556049848 448103022 /nfs/dbraw/zinc/10/30/22/448103022.db2.gz INFXKUBYUWJBRG-HOTGVXAUSA-N 2 2 334.464 1.808 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)C[C@H](C)O1 ZINC000570794270 448065826 /nfs/dbraw/zinc/06/58/26/448065826.db2.gz GVWGKFBHNOSKDV-LWASTNQWSA-N 2 2 348.487 1.966 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)C[C@H](C)O1 ZINC000570794270 448065830 /nfs/dbraw/zinc/06/58/30/448065830.db2.gz GVWGKFBHNOSKDV-LWASTNQWSA-N 2 2 348.487 1.966 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1F ZINC000576848159 448154204 /nfs/dbraw/zinc/15/42/04/448154204.db2.gz SZSYMVIIKUTGRP-KCXAZCMYSA-N 2 2 343.406 1.652 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000556797959 448155340 /nfs/dbraw/zinc/15/53/40/448155340.db2.gz SUWHDYWZPSFZNC-INIZCTEOSA-N 2 2 330.432 1.695 20 0 EDADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)C[N@@H+]1C1CC1 ZINC000556680969 448128256 /nfs/dbraw/zinc/12/82/56/448128256.db2.gz XOACTMKMGHPEJD-AYMQEEERSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)C[N@H+]1C1CC1 ZINC000556680969 448128261 /nfs/dbraw/zinc/12/82/61/448128261.db2.gz XOACTMKMGHPEJD-AYMQEEERSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714374 448131212 /nfs/dbraw/zinc/13/12/12/448131212.db2.gz CGNZQYQWKZFKEQ-AYOQOUSVSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714374 448131217 /nfs/dbraw/zinc/13/12/17/448131217.db2.gz CGNZQYQWKZFKEQ-AYOQOUSVSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714374 448131221 /nfs/dbraw/zinc/13/12/21/448131221.db2.gz CGNZQYQWKZFKEQ-AYOQOUSVSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714374 448131224 /nfs/dbraw/zinc/13/12/24/448131224.db2.gz CGNZQYQWKZFKEQ-AYOQOUSVSA-N 3 2 344.503 1.424 20 0 EDADLP CCOC(=O)[C@H]1[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000497033875 448143061 /nfs/dbraw/zinc/14/30/61/448143061.db2.gz JJOKNAICXSWREQ-MELADBBJSA-N 2 2 343.468 1.467 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000571419453 448152503 /nfs/dbraw/zinc/15/25/03/448152503.db2.gz AWBKORGJAGVMLY-SFYZZRBRSA-N 2 2 343.475 1.997 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000531931584 448174780 /nfs/dbraw/zinc/17/47/80/448174780.db2.gz NMZOEQSCCIQQCP-KRWDZBQOSA-N 2 2 333.480 1.392 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000531931584 448174781 /nfs/dbraw/zinc/17/47/81/448174781.db2.gz NMZOEQSCCIQQCP-KRWDZBQOSA-N 2 2 333.480 1.392 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576996059 448188819 /nfs/dbraw/zinc/18/88/19/448188819.db2.gz CVURWABPWBMUOO-ROUUACIJSA-N 2 2 338.455 1.943 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576996059 448188824 /nfs/dbraw/zinc/18/88/24/448188824.db2.gz CVURWABPWBMUOO-ROUUACIJSA-N 2 2 338.455 1.943 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)ccc2n1C ZINC000571771335 448204497 /nfs/dbraw/zinc/20/44/97/448204497.db2.gz CAWHJTKRDHWTIY-GOSISDBHSA-N 2 2 341.415 1.032 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3csnn3)CC2)C[C@H](C)O1 ZINC000577146495 448217828 /nfs/dbraw/zinc/21/78/28/448217828.db2.gz DXAXVBOVKNJALF-OKILXGFUSA-N 2 2 340.493 1.628 20 0 EDADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3csnn3)CC2)C[C@H](C)O1 ZINC000577146495 448217833 /nfs/dbraw/zinc/21/78/33/448217833.db2.gz DXAXVBOVKNJALF-OKILXGFUSA-N 2 2 340.493 1.628 20 0 EDADLP Cc1nc(NCc2ccccc2C[NH+]2CCCC2)nc(N(C)C)[nH+]1 ZINC000532272847 448223284 /nfs/dbraw/zinc/22/32/84/448223284.db2.gz TWRRTIIDGCFGIH-UHFFFAOYSA-N 2 2 326.448 2.454 20 0 EDADLP Cc1nc(N(C)C)nc(NCc2ccccc2C[NH+]2CCCC2)[nH+]1 ZINC000532272847 448223289 /nfs/dbraw/zinc/22/32/89/448223289.db2.gz TWRRTIIDGCFGIH-UHFFFAOYSA-N 2 2 326.448 2.454 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514924347 448224645 /nfs/dbraw/zinc/22/46/45/448224645.db2.gz CDKDTULCESCUOI-KCPJHIHWSA-N 2 2 340.830 1.967 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514924347 448224651 /nfs/dbraw/zinc/22/46/51/448224651.db2.gz CDKDTULCESCUOI-KCPJHIHWSA-N 2 2 340.830 1.967 20 0 EDADLP CCn1c[nH+]cc1CNc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000582476269 448246860 /nfs/dbraw/zinc/24/68/60/448246860.db2.gz QBOVGEHCTHKMRN-UHFFFAOYSA-N 2 2 341.459 1.832 20 0 EDADLP CCOC(=O)[C@@H](CC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591069082 448252088 /nfs/dbraw/zinc/25/20/88/448252088.db2.gz QHVDAVSIIDZOJY-CVEARBPZSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H](CC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591069082 448252091 /nfs/dbraw/zinc/25/20/91/448252091.db2.gz QHVDAVSIIDZOJY-CVEARBPZSA-N 2 2 339.480 1.203 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000515140109 448264692 /nfs/dbraw/zinc/26/46/92/448264692.db2.gz DDRUDTQSSBCSAT-AWEZNQCLSA-N 2 2 328.420 1.836 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccn4c(C)c[nH+]c4c3)C2)CC1 ZINC000577384953 448283973 /nfs/dbraw/zinc/28/39/73/448283973.db2.gz JRMHHNYTBIHJQN-KRWDZBQOSA-N 2 2 341.459 1.495 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527691849 448339388 /nfs/dbraw/zinc/33/93/88/448339388.db2.gz LNPQZIDPZMFDMK-ZDUSSCGKSA-N 2 2 335.192 1.884 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000527691849 448339391 /nfs/dbraw/zinc/33/93/91/448339391.db2.gz LNPQZIDPZMFDMK-ZDUSSCGKSA-N 2 2 335.192 1.884 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000515811009 448353110 /nfs/dbraw/zinc/35/31/10/448353110.db2.gz QRNFMQQPXHFWSW-CRAIPNDOSA-N 2 2 349.479 1.908 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCc2ncccn2)([NH+]2CCCCC2)CC1 ZINC000577672004 448356149 /nfs/dbraw/zinc/35/61/49/448356149.db2.gz LUFSHHKVBFBWJQ-UHFFFAOYSA-N 2 2 345.491 1.476 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000515611873 448333944 /nfs/dbraw/zinc/33/39/44/448333944.db2.gz GYKKABGYHHHCTP-HRCADAONSA-N 2 2 333.480 1.462 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000515611873 448333949 /nfs/dbraw/zinc/33/39/49/448333949.db2.gz GYKKABGYHHHCTP-HRCADAONSA-N 2 2 333.480 1.462 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)C1 ZINC000515611873 448333953 /nfs/dbraw/zinc/33/39/53/448333953.db2.gz GYKKABGYHHHCTP-HRCADAONSA-N 2 2 333.480 1.462 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)C1 ZINC000515611873 448333958 /nfs/dbraw/zinc/33/39/58/448333958.db2.gz GYKKABGYHHHCTP-HRCADAONSA-N 2 2 333.480 1.462 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527965107 448400388 /nfs/dbraw/zinc/40/03/88/448400388.db2.gz KBLIOQKJCUITBJ-UHFFFAOYSA-N 2 2 348.447 1.487 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CCC(=O)NC(N)=O)c(C)c1 ZINC000516276703 448408078 /nfs/dbraw/zinc/40/80/78/448408078.db2.gz JFEURHQPFAFKNL-HNNXBMFYSA-N 2 2 329.404 1.416 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000591634527 448421360 /nfs/dbraw/zinc/42/13/60/448421360.db2.gz WRHWXTHPRCPZLL-JYJNAYRXSA-N 2 2 335.452 1.339 20 0 EDADLP CC[N@H+](C)C[C@@H](O)CN(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000572703509 448442542 /nfs/dbraw/zinc/44/25/42/448442542.db2.gz KJDCKKQTUJKLAP-AZUAARDMSA-N 2 2 349.519 1.522 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)CN(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000572703509 448442545 /nfs/dbraw/zinc/44/25/45/448442545.db2.gz KJDCKKQTUJKLAP-AZUAARDMSA-N 2 2 349.519 1.522 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703509 448442546 /nfs/dbraw/zinc/44/25/46/448442546.db2.gz KJDCKKQTUJKLAP-AZUAARDMSA-N 2 2 349.519 1.522 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703509 448442548 /nfs/dbraw/zinc/44/25/48/448442548.db2.gz KJDCKKQTUJKLAP-AZUAARDMSA-N 2 2 349.519 1.522 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703509 448442551 /nfs/dbraw/zinc/44/25/51/448442551.db2.gz KJDCKKQTUJKLAP-AZUAARDMSA-N 2 2 349.519 1.522 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703509 448442555 /nfs/dbraw/zinc/44/25/55/448442555.db2.gz KJDCKKQTUJKLAP-AZUAARDMSA-N 2 2 349.519 1.522 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3nnnn3CC2)C1 ZINC000572711802 448444971 /nfs/dbraw/zinc/44/49/71/448444971.db2.gz LTVUEGDSIWWAGL-HYVNUMGLSA-N 2 2 326.448 1.803 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3nnnn3CC2)C1 ZINC000572711802 448444976 /nfs/dbraw/zinc/44/49/76/448444976.db2.gz LTVUEGDSIWWAGL-HYVNUMGLSA-N 2 2 326.448 1.803 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000572732110 448451154 /nfs/dbraw/zinc/45/11/54/448451154.db2.gz SCGZBJHZXZOANC-VYDXJSESSA-N 2 2 336.476 1.942 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000572732110 448451157 /nfs/dbraw/zinc/45/11/57/448451157.db2.gz SCGZBJHZXZOANC-VYDXJSESSA-N 2 2 336.476 1.942 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000572732110 448451160 /nfs/dbraw/zinc/45/11/60/448451160.db2.gz SCGZBJHZXZOANC-VYDXJSESSA-N 2 2 336.476 1.942 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000572732110 448451161 /nfs/dbraw/zinc/45/11/61/448451161.db2.gz SCGZBJHZXZOANC-VYDXJSESSA-N 2 2 336.476 1.942 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cscn1 ZINC000578130174 448468378 /nfs/dbraw/zinc/46/83/78/448468378.db2.gz VIWLYFUNIMSUPQ-RDJZCZTQSA-N 2 2 344.484 1.824 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cscn1 ZINC000578130174 448468380 /nfs/dbraw/zinc/46/83/80/448468380.db2.gz VIWLYFUNIMSUPQ-RDJZCZTQSA-N 2 2 344.484 1.824 20 0 EDADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCN(Cc4[nH+]ccn4C)C3=O)C[C@H]2C1 ZINC000578185716 448478798 /nfs/dbraw/zinc/47/87/98/448478798.db2.gz BPEJWCCXCVLLOE-BPKGMFCQSA-N 2 2 346.475 1.704 20 0 EDADLP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000516924233 448497708 /nfs/dbraw/zinc/49/77/08/448497708.db2.gz JMWINBZVQIFYRE-BMFZPTHFSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000516924233 448497714 /nfs/dbraw/zinc/49/77/14/448497714.db2.gz JMWINBZVQIFYRE-BMFZPTHFSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000516924233 448497720 /nfs/dbraw/zinc/49/77/20/448497720.db2.gz JMWINBZVQIFYRE-BMFZPTHFSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000516924233 448497725 /nfs/dbraw/zinc/49/77/25/448497725.db2.gz JMWINBZVQIFYRE-BMFZPTHFSA-N 2 2 326.481 1.741 20 0 EDADLP Cc1ccc2cc[nH+]c(N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)c2c1 ZINC000517026641 448526892 /nfs/dbraw/zinc/52/68/92/448526892.db2.gz BPOWBFJXVGFBBG-HNNXBMFYSA-N 2 2 328.416 1.166 20 0 EDADLP Cc1ccc2cc[nH+]c(N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)c2c1 ZINC000517026641 448526896 /nfs/dbraw/zinc/52/68/96/448526896.db2.gz BPOWBFJXVGFBBG-HNNXBMFYSA-N 2 2 328.416 1.166 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000517038533 448530281 /nfs/dbraw/zinc/53/02/81/448530281.db2.gz GBHHMNCKWAJJBI-OAHLLOKOSA-N 2 2 342.443 1.737 20 0 EDADLP CC[C@@H](C)OCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000517374821 448577499 /nfs/dbraw/zinc/57/74/99/448577499.db2.gz AWDFOTLKYFLLMC-HUUCEWRRSA-N 2 2 334.464 1.706 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(CCO)CCCCC2)C[C@@H](C)O1 ZINC000584470005 448538936 /nfs/dbraw/zinc/53/89/36/448538936.db2.gz HGCWDXWEGPSBDJ-ZACQAIPSSA-N 2 2 328.497 1.379 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000566688132 448539331 /nfs/dbraw/zinc/53/93/31/448539331.db2.gz WGYCLWGWKAXLLB-OTWHNJEPSA-N 2 2 348.487 1.784 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000566688132 448539335 /nfs/dbraw/zinc/53/93/35/448539335.db2.gz WGYCLWGWKAXLLB-OTWHNJEPSA-N 2 2 348.487 1.784 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000566688132 448539340 /nfs/dbraw/zinc/53/93/40/448539340.db2.gz WGYCLWGWKAXLLB-OTWHNJEPSA-N 2 2 348.487 1.784 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC000566688132 448539346 /nfs/dbraw/zinc/53/93/46/448539346.db2.gz WGYCLWGWKAXLLB-OTWHNJEPSA-N 2 2 348.487 1.784 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000528673748 448624381 /nfs/dbraw/zinc/62/43/81/448624381.db2.gz TUJGXJDITQRCDB-LSDHHAIUSA-N 2 2 349.475 1.907 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2cc1C ZINC000566916354 448585441 /nfs/dbraw/zinc/58/54/41/448585441.db2.gz ZWPVNEDVQITMHX-SJORKVTESA-N 3 2 346.475 1.060 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000528674669 448624744 /nfs/dbraw/zinc/62/47/44/448624744.db2.gz KUKYMGVTRCHGEL-KRWDZBQOSA-N 2 2 344.459 1.925 20 0 EDADLP COCc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ncn1 ZINC000578810093 448640597 /nfs/dbraw/zinc/64/05/97/448640597.db2.gz SORYJKOBRHKOJS-UHFFFAOYSA-N 2 2 333.480 1.985 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000528675625 448626465 /nfs/dbraw/zinc/62/64/65/448626465.db2.gz FOCRSLYNWRNYEH-UHFFFAOYSA-N 3 2 333.480 1.258 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC[C@H]2[NH+](C)CCCC2(C)C)C[C@H](C)O1 ZINC000573676826 448686348 /nfs/dbraw/zinc/68/63/48/448686348.db2.gz MWBAJVDJRYOMIS-YYIAUSFCSA-N 2 2 327.513 1.167 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)CNC[C@H]2[NH+](C)CCCC2(C)C)C[C@H](C)O1 ZINC000573676826 448686353 /nfs/dbraw/zinc/68/63/53/448686353.db2.gz MWBAJVDJRYOMIS-YYIAUSFCSA-N 2 2 327.513 1.167 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC000573676826 448686360 /nfs/dbraw/zinc/68/63/60/448686360.db2.gz MWBAJVDJRYOMIS-YYIAUSFCSA-N 2 2 327.513 1.167 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC000573676826 448686367 /nfs/dbraw/zinc/68/63/67/448686367.db2.gz MWBAJVDJRYOMIS-YYIAUSFCSA-N 2 2 327.513 1.167 20 0 EDADLP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000567610758 448722725 /nfs/dbraw/zinc/72/27/25/448722725.db2.gz ZBANNOFKDIMJCD-KRWDZBQOSA-N 2 2 327.432 1.931 20 0 EDADLP Cc1cccc(OCCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1C ZINC000519120197 448743095 /nfs/dbraw/zinc/74/30/95/448743095.db2.gz YZIKHJNLEDLYOO-MRXNPFEDSA-N 2 2 334.464 1.357 20 0 EDADLP Cc1cccc(OCCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1C ZINC000519120197 448743103 /nfs/dbraw/zinc/74/31/03/448743103.db2.gz YZIKHJNLEDLYOO-MRXNPFEDSA-N 2 2 334.464 1.357 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000519147806 448746567 /nfs/dbraw/zinc/74/65/67/448746567.db2.gz WPNTWWGHBRUPEP-CABCVRRESA-N 2 2 336.505 1.295 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000568049951 448807106 /nfs/dbraw/zinc/80/71/06/448807106.db2.gz ANSTXDRHGUPYAL-QGZVFWFLSA-N 2 2 325.884 1.818 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000568049951 448807112 /nfs/dbraw/zinc/80/71/12/448807112.db2.gz ANSTXDRHGUPYAL-QGZVFWFLSA-N 2 2 325.884 1.818 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000568078440 448811588 /nfs/dbraw/zinc/81/15/88/448811588.db2.gz RRBFVJBJNJDLKG-GXTWGEPZSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000568078440 448811595 /nfs/dbraw/zinc/81/15/95/448811595.db2.gz RRBFVJBJNJDLKG-GXTWGEPZSA-N 2 2 337.851 1.490 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000579337782 448769413 /nfs/dbraw/zinc/76/94/13/448769413.db2.gz ZKZHQDSPUKEDIX-UHFFFAOYSA-N 2 2 332.448 1.897 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000579337782 448769416 /nfs/dbraw/zinc/76/94/16/448769416.db2.gz ZKZHQDSPUKEDIX-UHFFFAOYSA-N 2 2 332.448 1.897 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000529302378 448813439 /nfs/dbraw/zinc/81/34/39/448813439.db2.gz MEJYWPLYFWIGGI-LLVKDONJSA-N 2 2 333.358 1.585 20 0 EDADLP C[C@@H]1CCn2ncc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)c2C1 ZINC000567940777 448787373 /nfs/dbraw/zinc/78/73/73/448787373.db2.gz DUVASNAFICXLQW-CQSZACIVSA-N 2 2 333.480 1.221 20 0 EDADLP Cc1ccc(NC(=O)CC[NH+]2CCC(CO)([NH2+]C(C)C)CC2)nc1 ZINC000574099254 448792082 /nfs/dbraw/zinc/79/20/82/448792082.db2.gz XBHQGFHEDIPIFU-UHFFFAOYSA-N 2 2 334.464 1.544 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000579592077 448829678 /nfs/dbraw/zinc/82/96/78/448829678.db2.gz BUNKFKXWEWBKCG-QZTJIDSGSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)c1 ZINC000579592077 448829682 /nfs/dbraw/zinc/82/96/82/448829682.db2.gz BUNKFKXWEWBKCG-QZTJIDSGSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529366211 448842856 /nfs/dbraw/zinc/84/28/56/448842856.db2.gz JEPVMBYLZGOJIQ-GJZGRUSLSA-N 2 2 348.495 2.089 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000568239061 448842983 /nfs/dbraw/zinc/84/29/83/448842983.db2.gz HQIYVFYPGRBGKS-UHFFFAOYSA-N 2 2 333.476 1.460 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)NCc1ccccc1 ZINC000592476555 448853116 /nfs/dbraw/zinc/85/31/16/448853116.db2.gz ZQQTVVMLBHQGGO-IRXDYDNUSA-N 2 2 344.459 1.476 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)NCc1ccccc1 ZINC000592476555 448853120 /nfs/dbraw/zinc/85/31/20/448853120.db2.gz ZQQTVVMLBHQGGO-IRXDYDNUSA-N 2 2 344.459 1.476 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000592479078 448853893 /nfs/dbraw/zinc/85/38/93/448853893.db2.gz PFTHCABNVQLJDT-HOCLYGCPSA-N 2 2 330.432 1.799 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000592479078 448853896 /nfs/dbraw/zinc/85/38/96/448853896.db2.gz PFTHCABNVQLJDT-HOCLYGCPSA-N 2 2 330.432 1.799 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc(CCn4cc[nH+]c4)n3)cn2)CC1 ZINC000547014225 448857842 /nfs/dbraw/zinc/85/78/42/448857842.db2.gz ALQYOIFUWOLIFI-UHFFFAOYSA-N 2 2 339.403 1.323 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N(C)c2ccccc2C(=O)OC)CC[C@H]1[NH3+] ZINC000592489680 448859314 /nfs/dbraw/zinc/85/93/14/448859314.db2.gz ZPOWSGIYIBIOKN-DZGCQCFKSA-N 2 2 333.432 1.495 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N(C)c2ccccc2C(=O)OC)CC[C@H]1[NH3+] ZINC000592489680 448859318 /nfs/dbraw/zinc/85/93/18/448859318.db2.gz ZPOWSGIYIBIOKN-DZGCQCFKSA-N 2 2 333.432 1.495 20 0 EDADLP CC1(C)C[NH+](CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000574528512 448896732 /nfs/dbraw/zinc/89/67/32/448896732.db2.gz KNJQHLBTHJBMDD-GOSISDBHSA-N 2 2 345.487 1.388 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000568738613 448912746 /nfs/dbraw/zinc/91/27/46/448912746.db2.gz CNYSESLXNDUCDC-FRRDWIJNSA-N 2 2 327.379 1.473 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nnnn3C3CC3)CC2)C[C@H](C)O1 ZINC000588710235 448918505 /nfs/dbraw/zinc/91/85/05/448918505.db2.gz RJWQMMSKSDOWEH-OKILXGFUSA-N 2 2 334.468 1.329 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nnnn3C3CC3)CC2)C[C@H](C)O1 ZINC000588710235 448918510 /nfs/dbraw/zinc/91/85/10/448918510.db2.gz RJWQMMSKSDOWEH-OKILXGFUSA-N 2 2 334.468 1.329 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000520393178 448891223 /nfs/dbraw/zinc/89/12/23/448891223.db2.gz MGIRQPVPXZXDBQ-RISCZKNCSA-N 2 2 331.869 1.206 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[NH+]1CCOCC1 ZINC000588914037 448949561 /nfs/dbraw/zinc/94/95/61/448949561.db2.gz LEYYYCWVRDRGSZ-MRXNPFEDSA-N 2 2 349.479 1.375 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC000569232023 448985393 /nfs/dbraw/zinc/98/53/93/448985393.db2.gz FFETXHSAMRRPKU-JFRXWTBNSA-N 2 2 336.476 1.304 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC000569232023 448985400 /nfs/dbraw/zinc/98/54/00/448985400.db2.gz FFETXHSAMRRPKU-JFRXWTBNSA-N 2 2 336.476 1.304 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000521565915 448995307 /nfs/dbraw/zinc/99/53/07/448995307.db2.gz OYXNDHSZNCGKTE-QAPCUYQASA-N 2 2 342.443 1.597 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000521565915 448995310 /nfs/dbraw/zinc/99/53/10/448995310.db2.gz OYXNDHSZNCGKTE-QAPCUYQASA-N 2 2 342.443 1.597 20 0 EDADLP C[C@@H](OCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000521841005 449017643 /nfs/dbraw/zinc/01/76/43/449017643.db2.gz QFJUFNCEICVLCU-NVXWUHKLSA-N 2 2 334.464 1.439 20 0 EDADLP C[C@@H](OCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000521841005 449017645 /nfs/dbraw/zinc/01/76/45/449017645.db2.gz QFJUFNCEICVLCU-NVXWUHKLSA-N 2 2 334.464 1.439 20 0 EDADLP C[C@]1(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)CCC[NH2+]C1 ZINC000521839610 449017687 /nfs/dbraw/zinc/01/76/87/449017687.db2.gz WDBKAURTOKBVAA-SFHVURJKSA-N 2 2 347.463 1.107 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000548327987 449021037 /nfs/dbraw/zinc/02/10/37/449021037.db2.gz YJWZJWHHKNKNJW-IRXDYDNUSA-N 2 2 340.427 1.215 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000548327987 449021041 /nfs/dbraw/zinc/02/10/41/449021041.db2.gz YJWZJWHHKNKNJW-IRXDYDNUSA-N 2 2 340.427 1.215 20 0 EDADLP COC(=O)c1[nH]c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C ZINC000589820426 449064097 /nfs/dbraw/zinc/06/40/97/449064097.db2.gz NNOOOZIJQVSQEE-UHFFFAOYSA-N 2 2 334.464 1.323 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000530243487 449092635 /nfs/dbraw/zinc/09/26/35/449092635.db2.gz RJYNGYYOHRPMHK-UHFFFAOYSA-N 2 2 339.443 1.378 20 0 EDADLP CCOc1ccccc1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530244765 449093504 /nfs/dbraw/zinc/09/35/04/449093504.db2.gz NIELAIYNJYFZCY-UHFFFAOYSA-N 2 2 332.448 1.228 20 0 EDADLP COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000595676985 449114849 /nfs/dbraw/zinc/11/48/49/449114849.db2.gz QGNKQGHAGBFSFW-SFHVURJKSA-N 2 2 349.475 1.479 20 0 EDADLP COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000595676985 449114851 /nfs/dbraw/zinc/11/48/51/449114851.db2.gz QGNKQGHAGBFSFW-SFHVURJKSA-N 2 2 349.475 1.479 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)n1C ZINC000590592879 449208840 /nfs/dbraw/zinc/20/88/40/449208840.db2.gz BGDJCCBRLSSRLP-UHFFFAOYSA-N 2 2 334.464 1.025 20 0 EDADLP CCN(C[C@@H]1CCOC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207961 449192590 /nfs/dbraw/zinc/19/25/90/449192590.db2.gz BHGQHBDTRRBNNU-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP CCN(C[C@@H]1CCOC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207961 449192595 /nfs/dbraw/zinc/19/25/95/449192595.db2.gz BHGQHBDTRRBNNU-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000600503538 449416215 /nfs/dbraw/zinc/41/62/15/449416215.db2.gz UWKAQJQZJDVCNX-UHFFFAOYSA-N 2 2 330.436 1.224 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614033787 449423528 /nfs/dbraw/zinc/42/35/28/449423528.db2.gz BAUXLNXOAWGJBE-UHFFFAOYSA-N 2 2 328.420 1.000 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611806668 449429391 /nfs/dbraw/zinc/42/93/91/449429391.db2.gz LCFHREZHBWKRFX-CABCVRRESA-N 2 2 334.464 1.474 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611806668 449429395 /nfs/dbraw/zinc/42/93/95/449429395.db2.gz LCFHREZHBWKRFX-CABCVRRESA-N 2 2 334.464 1.474 20 0 EDADLP CC(C)(C)C[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000600645945 449470376 /nfs/dbraw/zinc/47/03/76/449470376.db2.gz WEPJFNFPQWBMCL-UHFFFAOYSA-N 2 2 337.464 1.264 20 0 EDADLP CC(C)(C)C[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000600645945 449470380 /nfs/dbraw/zinc/47/03/80/449470380.db2.gz WEPJFNFPQWBMCL-UHFFFAOYSA-N 2 2 337.464 1.264 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3c(c2)CCOC3)CC1 ZINC000611980291 449503845 /nfs/dbraw/zinc/50/38/45/449503845.db2.gz WGIUPWCNTTXJQY-UHFFFAOYSA-N 2 2 331.460 1.515 20 0 EDADLP COC(=O)c1cnc(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)s1 ZINC000600722595 449518447 /nfs/dbraw/zinc/51/84/47/449518447.db2.gz IWJKFIZVFLYIOY-GFCCVEGCSA-N 2 2 325.434 1.098 20 0 EDADLP CN1CC[NH+](CC2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)CC1 ZINC000607143793 449577494 /nfs/dbraw/zinc/57/74/94/449577494.db2.gz HQKONTCGTCVOIW-UHFFFAOYSA-N 2 2 341.463 1.126 20 0 EDADLP CO[C@@H](C)CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000607246105 449589742 /nfs/dbraw/zinc/58/97/42/449589742.db2.gz ZNOIWXUFSPOWNJ-HOTGVXAUSA-N 2 2 340.512 1.610 20 0 EDADLP CO[C@@H](C)CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000607246105 449589748 /nfs/dbraw/zinc/58/97/48/449589748.db2.gz ZNOIWXUFSPOWNJ-HOTGVXAUSA-N 2 2 340.512 1.610 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1C ZINC000602489015 449629624 /nfs/dbraw/zinc/62/96/24/449629624.db2.gz YETIABLICQAIGS-JLJPHGGASA-N 2 2 335.448 1.495 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1C ZINC000602489015 449629629 /nfs/dbraw/zinc/62/96/29/449629629.db2.gz YETIABLICQAIGS-JLJPHGGASA-N 2 2 335.448 1.495 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCCC2)no1 ZINC000602531949 449654471 /nfs/dbraw/zinc/65/44/71/449654471.db2.gz ZKZLOZZJFKQPCL-CQSZACIVSA-N 2 2 349.479 1.749 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCCC2)no1 ZINC000602531949 449654476 /nfs/dbraw/zinc/65/44/76/449654476.db2.gz ZKZLOZZJFKQPCL-CQSZACIVSA-N 2 2 349.479 1.749 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000601029619 449663680 /nfs/dbraw/zinc/66/36/80/449663680.db2.gz HPTDIRUCFSEWOD-BBWFWOEESA-N 2 2 347.507 1.809 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000601029619 449663684 /nfs/dbraw/zinc/66/36/84/449663684.db2.gz HPTDIRUCFSEWOD-BBWFWOEESA-N 2 2 347.507 1.809 20 0 EDADLP C[C@@H](c1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1)[NH+]1CCOCC1 ZINC000601000486 449645956 /nfs/dbraw/zinc/64/59/56/449645956.db2.gz GAHMLIIDHAMUIU-INIZCTEOSA-N 2 2 346.475 1.266 20 0 EDADLP CCOC(=O)CCc1cc(NCCCn2cc[nH+]c2C)nc(C)[nH+]1 ZINC000601118549 449700038 /nfs/dbraw/zinc/70/00/38/449700038.db2.gz DQUHLESYMYAEFG-UHFFFAOYSA-N 2 2 331.420 2.288 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)CO1 ZINC000617725199 449782504 /nfs/dbraw/zinc/78/25/04/449782504.db2.gz IQGJNIOVVOPCFW-IRXDYDNUSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)CO1 ZINC000617725199 449782509 /nfs/dbraw/zinc/78/25/09/449782509.db2.gz IQGJNIOVVOPCFW-IRXDYDNUSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H](C)CO1 ZINC000617725199 449782512 /nfs/dbraw/zinc/78/25/12/449782512.db2.gz IQGJNIOVVOPCFW-IRXDYDNUSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H](C)CO1 ZINC000617725199 449782516 /nfs/dbraw/zinc/78/25/16/449782516.db2.gz IQGJNIOVVOPCFW-IRXDYDNUSA-N 2 2 345.487 1.660 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000601211756 449753704 /nfs/dbraw/zinc/75/37/04/449753704.db2.gz UJCPUTHNGMSUIW-OAHLLOKOSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C(F)(F)F)nn3C)C2)CC1 ZINC000597003381 449758463 /nfs/dbraw/zinc/75/84/63/449758463.db2.gz ONHPDLKBZUYTER-ZDUSSCGKSA-N 2 2 345.413 1.651 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)nn3C)C2)CC1 ZINC000597003381 449758468 /nfs/dbraw/zinc/75/84/68/449758468.db2.gz ONHPDLKBZUYTER-ZDUSSCGKSA-N 2 2 345.413 1.651 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000601301531 449811520 /nfs/dbraw/zinc/81/15/20/449811520.db2.gz KLPWUYSJDBNWHQ-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000601301531 449811525 /nfs/dbraw/zinc/81/15/25/449811525.db2.gz KLPWUYSJDBNWHQ-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000617763308 449822839 /nfs/dbraw/zinc/82/28/39/449822839.db2.gz MMWJNQDNTAKQGX-KRWDZBQOSA-N 2 2 332.492 1.513 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000617763308 449822842 /nfs/dbraw/zinc/82/28/42/449822842.db2.gz MMWJNQDNTAKQGX-KRWDZBQOSA-N 2 2 332.492 1.513 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncccc1C(F)(F)F ZINC000617765044 449827333 /nfs/dbraw/zinc/82/73/33/449827333.db2.gz RFKRFRUIWIOEPW-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncccc1C(F)(F)F ZINC000617765044 449827338 /nfs/dbraw/zinc/82/73/38/449827338.db2.gz RFKRFRUIWIOEPW-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP Cc1nn2c(nc(C)cc2C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767077 449829141 /nfs/dbraw/zinc/82/91/41/449829141.db2.gz GKDQDMIFVPJNHO-UHFFFAOYSA-N 2 2 346.479 1.268 20 0 EDADLP Cc1nn2c(nc(C)cc2C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767077 449829144 /nfs/dbraw/zinc/82/91/44/449829144.db2.gz GKDQDMIFVPJNHO-UHFFFAOYSA-N 2 2 346.479 1.268 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000617768233 449833998 /nfs/dbraw/zinc/83/39/98/449833998.db2.gz VHMAKADGGOEQIC-UHFFFAOYSA-N 2 2 347.438 1.829 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000617768233 449834004 /nfs/dbraw/zinc/83/40/04/449834004.db2.gz VHMAKADGGOEQIC-UHFFFAOYSA-N 2 2 347.438 1.829 20 0 EDADLP COC(=O)[C@@H]1CSCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597150062 449839137 /nfs/dbraw/zinc/83/91/37/449839137.db2.gz NRVNHFXASJPKTE-ZDUSSCGKSA-N 2 2 332.429 1.605 20 0 EDADLP COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597150062 449839142 /nfs/dbraw/zinc/83/91/42/449839142.db2.gz NRVNHFXASJPKTE-ZDUSSCGKSA-N 2 2 332.429 1.605 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC(=O)NCc1ccccc1 ZINC000601335701 449844639 /nfs/dbraw/zinc/84/46/39/449844639.db2.gz XQMKMVUBLOIJKQ-CVEARBPZSA-N 2 2 330.432 1.086 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC(=O)NCc1ccccc1 ZINC000601335701 449844644 /nfs/dbraw/zinc/84/46/44/449844644.db2.gz XQMKMVUBLOIJKQ-CVEARBPZSA-N 2 2 330.432 1.086 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000599277355 449854040 /nfs/dbraw/zinc/85/40/40/449854040.db2.gz MSEDMBDCSZDZOR-IAGOWNOFSA-N 2 2 326.481 1.744 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000599277355 449854047 /nfs/dbraw/zinc/85/40/47/449854047.db2.gz MSEDMBDCSZDZOR-IAGOWNOFSA-N 2 2 326.481 1.744 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000595098799 449868083 /nfs/dbraw/zinc/86/80/83/449868083.db2.gz IETGGHBASHVYQJ-ACBHZAAOSA-N 2 2 345.487 1.734 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000595098799 449868090 /nfs/dbraw/zinc/86/80/90/449868090.db2.gz IETGGHBASHVYQJ-ACBHZAAOSA-N 2 2 345.487 1.734 20 0 EDADLP COc1cccc([C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)c2[nH+]ccn2C)c1 ZINC000599391593 449937825 /nfs/dbraw/zinc/93/78/25/449937825.db2.gz KSLBXCDMLHYXRW-JKSUJKDBSA-N 2 2 328.416 1.729 20 0 EDADLP COc1cccc([C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)c2[nH+]ccn2C)c1 ZINC000599391593 449937828 /nfs/dbraw/zinc/93/78/28/449937828.db2.gz KSLBXCDMLHYXRW-JKSUJKDBSA-N 2 2 328.416 1.729 20 0 EDADLP COc1cccc([C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)c2[nH+]ccn2C)c1 ZINC000599391592 449937846 /nfs/dbraw/zinc/93/78/46/449937846.db2.gz KSLBXCDMLHYXRW-HZPDHXFCSA-N 2 2 328.416 1.729 20 0 EDADLP COc1cccc([C@@H](NC(=O)[C@H]2CCC[N@H+]2C)c2[nH+]ccn2C)c1 ZINC000599391592 449937849 /nfs/dbraw/zinc/93/78/49/449937849.db2.gz KSLBXCDMLHYXRW-HZPDHXFCSA-N 2 2 328.416 1.729 20 0 EDADLP Cn1cc(C(C)(C)NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000608685825 449907685 /nfs/dbraw/zinc/90/76/85/449907685.db2.gz FUGHIEIKAPYCHI-OAHLLOKOSA-N 2 2 348.495 1.123 20 0 EDADLP Cn1cc(C(C)(C)NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000608685825 449907694 /nfs/dbraw/zinc/90/76/94/449907694.db2.gz FUGHIEIKAPYCHI-OAHLLOKOSA-N 2 2 348.495 1.123 20 0 EDADLP CCN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CC[N@H+](CC)C1 ZINC000617925056 449921461 /nfs/dbraw/zinc/92/14/61/449921461.db2.gz DQIONXJXLSVLAE-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP CCN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617925056 449921466 /nfs/dbraw/zinc/92/14/66/449921466.db2.gz DQIONXJXLSVLAE-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612963368 449958703 /nfs/dbraw/zinc/95/87/03/449958703.db2.gz JIMVBEDAHVPMEE-QGZVFWFLSA-N 2 2 339.443 1.873 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000599434813 449973359 /nfs/dbraw/zinc/97/33/59/449973359.db2.gz IUXKDCOLDHEDOV-CYBMUJFWSA-N 2 2 340.386 1.649 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000599434813 449973364 /nfs/dbraw/zinc/97/33/64/449973364.db2.gz IUXKDCOLDHEDOV-CYBMUJFWSA-N 2 2 340.386 1.649 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000615274150 450039548 /nfs/dbraw/zinc/03/95/48/450039548.db2.gz HYKSNISZRAFHEX-HZPDHXFCSA-N 2 2 332.448 1.084 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000615274150 450039552 /nfs/dbraw/zinc/03/95/52/450039552.db2.gz HYKSNISZRAFHEX-HZPDHXFCSA-N 2 2 332.448 1.084 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583960 450084737 /nfs/dbraw/zinc/08/47/37/450084737.db2.gz TYFBFSQLNRGNRH-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583960 450084739 /nfs/dbraw/zinc/08/47/39/450084739.db2.gz TYFBFSQLNRGNRH-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583960 450084742 /nfs/dbraw/zinc/08/47/42/450084742.db2.gz TYFBFSQLNRGNRH-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583960 450084745 /nfs/dbraw/zinc/08/47/45/450084745.db2.gz TYFBFSQLNRGNRH-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603274940 450201517 /nfs/dbraw/zinc/20/15/17/450201517.db2.gz SFNPWIOAIMAQGF-RYRKJORJSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603274940 450201522 /nfs/dbraw/zinc/20/15/22/450201522.db2.gz SFNPWIOAIMAQGF-RYRKJORJSA-N 2 2 337.508 1.866 20 0 EDADLP CSC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613861663 450341683 /nfs/dbraw/zinc/34/16/83/450341683.db2.gz YRIWVWUEWBLSCX-DZGCQCFKSA-N 2 2 328.526 1.548 20 0 EDADLP CSC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613861663 450341689 /nfs/dbraw/zinc/34/16/89/450341689.db2.gz YRIWVWUEWBLSCX-DZGCQCFKSA-N 2 2 328.526 1.548 20 0 EDADLP C[N@H+](CCCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CCCCC1 ZINC000623390430 450511767 /nfs/dbraw/zinc/51/17/67/450511767.db2.gz MUZJSWAIKALRKL-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+](CCCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CCCCC1 ZINC000623390430 450511769 /nfs/dbraw/zinc/51/17/69/450511769.db2.gz MUZJSWAIKALRKL-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](CCCNC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CCCCC1 ZINC000623390430 450511771 /nfs/dbraw/zinc/51/17/71/450511771.db2.gz MUZJSWAIKALRKL-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](CCCNC(=O)NC[C@@H]1COCC[N@H+]1C)C1CCCCC1 ZINC000623390430 450511772 /nfs/dbraw/zinc/51/17/72/450511772.db2.gz MUZJSWAIKALRKL-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H](C)Cn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000623477576 450528131 /nfs/dbraw/zinc/52/81/31/450528131.db2.gz LZNOLWARTCFQRJ-CQSZACIVSA-N 2 2 345.451 1.905 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH+](CCOC(C)C)CC1)CC2 ZINC000625962792 450544551 /nfs/dbraw/zinc/54/45/51/450544551.db2.gz RBQSEUPMMAWXFL-MRXNPFEDSA-N 2 2 334.464 1.323 20 0 EDADLP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633028278 450623404 /nfs/dbraw/zinc/62/34/04/450623404.db2.gz SSXQHQKUOWZVFF-KBPBESRZSA-N 2 2 338.367 1.385 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000623952128 450648782 /nfs/dbraw/zinc/64/87/82/450648782.db2.gz UFJFLXPPQZRGGC-MRXNPFEDSA-N 2 2 332.448 1.409 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000623952128 450648787 /nfs/dbraw/zinc/64/87/87/450648787.db2.gz UFJFLXPPQZRGGC-MRXNPFEDSA-N 2 2 332.448 1.409 20 0 EDADLP C[C@@H]1C[C@@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000623984329 450660233 /nfs/dbraw/zinc/66/02/33/450660233.db2.gz DTKUNSPSVNWQSM-OCCSQVGLSA-N 2 2 327.436 1.186 20 0 EDADLP C[C@@H]1C[C@@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000623984329 450660239 /nfs/dbraw/zinc/66/02/39/450660239.db2.gz DTKUNSPSVNWQSM-OCCSQVGLSA-N 2 2 327.436 1.186 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000633091127 450675214 /nfs/dbraw/zinc/67/52/14/450675214.db2.gz HZEIOCVFMWLIEV-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000633091127 450675218 /nfs/dbraw/zinc/67/52/18/450675218.db2.gz HZEIOCVFMWLIEV-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635139117 450684806 /nfs/dbraw/zinc/68/48/06/450684806.db2.gz RFPLLSORWRFESH-BRWVUGGUSA-N 2 2 340.427 1.530 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635139117 450684812 /nfs/dbraw/zinc/68/48/12/450684812.db2.gz RFPLLSORWRFESH-BRWVUGGUSA-N 2 2 340.427 1.530 20 0 EDADLP C[N@H+](CCOCC[NH3+])Cc1cc2c(cc1Br)OCO2 ZINC000629579667 450747386 /nfs/dbraw/zinc/74/73/86/450747386.db2.gz OSHMMPHKYWJPBI-UHFFFAOYSA-N 2 2 331.210 1.585 20 0 EDADLP C[N@@H+](CCOCC[NH3+])Cc1cc2c(cc1Br)OCO2 ZINC000629579667 450747390 /nfs/dbraw/zinc/74/73/90/450747390.db2.gz OSHMMPHKYWJPBI-UHFFFAOYSA-N 2 2 331.210 1.585 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000629595684 450754782 /nfs/dbraw/zinc/75/47/82/450754782.db2.gz UMZCLWRHQDAVDZ-ROUUACIJSA-N 2 2 330.403 1.951 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000629595684 450754786 /nfs/dbraw/zinc/75/47/86/450754786.db2.gz UMZCLWRHQDAVDZ-ROUUACIJSA-N 2 2 330.403 1.951 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000621543118 450765607 /nfs/dbraw/zinc/76/56/07/450765607.db2.gz KBQAQUDWRYXYJN-DLBZAZTESA-N 2 2 326.444 1.735 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000624261094 450768765 /nfs/dbraw/zinc/76/87/65/450768765.db2.gz ICAPVODWPUXOLO-UKRRQHHQSA-N 2 2 333.432 1.716 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000624261094 450768767 /nfs/dbraw/zinc/76/87/67/450768767.db2.gz ICAPVODWPUXOLO-UKRRQHHQSA-N 2 2 333.432 1.716 20 0 EDADLP CC[N@H+](CC[NH3+])Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000629651014 450770076 /nfs/dbraw/zinc/77/00/76/450770076.db2.gz GNUVAROMPGKNQU-UHFFFAOYSA-N 2 2 341.883 1.832 20 0 EDADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000629651014 450770084 /nfs/dbraw/zinc/77/00/84/450770084.db2.gz GNUVAROMPGKNQU-UHFFFAOYSA-N 2 2 341.883 1.832 20 0 EDADLP c1cc2n(n1)CCC[C@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000631809749 450789923 /nfs/dbraw/zinc/78/99/23/450789923.db2.gz SOXXUFXKVRJVEV-QGZVFWFLSA-N 2 2 333.480 1.104 20 0 EDADLP c1cc2n(n1)CCC[C@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000631809749 450789930 /nfs/dbraw/zinc/78/99/30/450789930.db2.gz SOXXUFXKVRJVEV-QGZVFWFLSA-N 2 2 333.480 1.104 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635281376 450812877 /nfs/dbraw/zinc/81/28/77/450812877.db2.gz WRLOLWFZOIPYLP-ZIAGYGMSSA-N 2 2 334.489 1.991 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635281376 450812879 /nfs/dbraw/zinc/81/28/79/450812879.db2.gz WRLOLWFZOIPYLP-ZIAGYGMSSA-N 2 2 334.489 1.991 20 0 EDADLP C[C@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1[nH+]ccn1C ZINC000624388598 450826226 /nfs/dbraw/zinc/82/62/26/450826226.db2.gz BHGJDXCRMBODOD-AWEZNQCLSA-N 2 2 335.452 1.377 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864180 450833079 /nfs/dbraw/zinc/83/30/79/450833079.db2.gz LXMYRPMVVAKONJ-JKSUJKDBSA-N 2 2 333.476 1.607 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc2c(c1)OCCO2 ZINC000631887366 450848531 /nfs/dbraw/zinc/84/85/31/450848531.db2.gz QWWKYJWNTXLLKZ-HIFRSBDPSA-N 2 2 331.416 1.470 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc2c(c1)OCCO2 ZINC000631887366 450848533 /nfs/dbraw/zinc/84/85/33/450848533.db2.gz QWWKYJWNTXLLKZ-HIFRSBDPSA-N 2 2 331.416 1.470 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000626922880 451006405 /nfs/dbraw/zinc/00/64/05/451006405.db2.gz HCCFEJXTPWQGRU-UHFFFAOYSA-N 2 2 347.463 1.612 20 0 EDADLP Cc1cccn2cc(CCNS(=O)(=O)CC3([NH+](C)C)CC3)[nH+]c12 ZINC000632059297 451007769 /nfs/dbraw/zinc/00/77/69/451007769.db2.gz HIDCYQRIKXZKRX-UHFFFAOYSA-N 2 2 336.461 1.199 20 0 EDADLP [NH3+]CCCOCCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000626930218 451012401 /nfs/dbraw/zinc/01/24/01/451012401.db2.gz YRYVWEIGKCTLOM-UHFFFAOYSA-N 2 2 325.800 1.152 20 0 EDADLP [NH3+]CCCOCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000626929427 451012563 /nfs/dbraw/zinc/01/25/63/451012563.db2.gz MRBBKNSGPZPLCQ-UHFFFAOYSA-N 2 2 335.452 1.237 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000626931978 451014293 /nfs/dbraw/zinc/01/42/93/451014293.db2.gz PDBGFSOZPHZBDW-RZLSGREXSA-N 2 2 347.463 1.245 20 0 EDADLP CCN(CC[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000626932008 451014827 /nfs/dbraw/zinc/01/48/27/451014827.db2.gz PZEXUBBNUIEMGC-OKILXGFUSA-N 2 2 335.452 1.185 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635537661 451034330 /nfs/dbraw/zinc/03/43/30/451034330.db2.gz CJCFDYMCBMRECG-FUHWJXTLSA-N 2 2 347.459 1.106 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635537661 451034336 /nfs/dbraw/zinc/03/43/36/451034336.db2.gz CJCFDYMCBMRECG-FUHWJXTLSA-N 2 2 347.459 1.106 20 0 EDADLP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000635537661 451034343 /nfs/dbraw/zinc/03/43/43/451034343.db2.gz CJCFDYMCBMRECG-FUHWJXTLSA-N 2 2 347.459 1.106 20 0 EDADLP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000635537661 451034347 /nfs/dbraw/zinc/03/43/47/451034347.db2.gz CJCFDYMCBMRECG-FUHWJXTLSA-N 2 2 347.459 1.106 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)cc1 ZINC000635564251 451062102 /nfs/dbraw/zinc/06/21/02/451062102.db2.gz REUMSPSFHYLNOB-HKUYNNGSSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)cc1 ZINC000635564251 451062108 /nfs/dbraw/zinc/06/21/08/451062108.db2.gz REUMSPSFHYLNOB-HKUYNNGSSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000635564251 451062112 /nfs/dbraw/zinc/06/21/12/451062112.db2.gz REUMSPSFHYLNOB-HKUYNNGSSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000635564251 451062117 /nfs/dbraw/zinc/06/21/17/451062117.db2.gz REUMSPSFHYLNOB-HKUYNNGSSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627042580 451098371 /nfs/dbraw/zinc/09/83/71/451098371.db2.gz FKINZKSBNSKDAT-CMPLNLGQSA-N 2 2 346.353 1.759 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc(CC)[nH+]2)[C@@H](C)C1 ZINC000635573679 451073043 /nfs/dbraw/zinc/07/30/43/451073043.db2.gz YKMGQBHSXODPRQ-GOEBONIOSA-N 2 2 336.480 1.768 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc(CC)[nH+]2)[C@@H](C)C1 ZINC000635573679 451073047 /nfs/dbraw/zinc/07/30/47/451073047.db2.gz YKMGQBHSXODPRQ-GOEBONIOSA-N 2 2 336.480 1.768 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCC[NH+]1CCC(O)CC1 ZINC000635581907 451081241 /nfs/dbraw/zinc/08/12/41/451081241.db2.gz ZGQLFFJMHKPONW-CYBMUJFWSA-N 2 2 348.369 1.340 20 0 EDADLP C[C@H](CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000635592739 451089610 /nfs/dbraw/zinc/08/96/10/451089610.db2.gz WXWRNMMDCDNGMJ-OLZOCXBDSA-N 2 2 348.369 1.461 20 0 EDADLP CCC(C)(C)[C@@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635551407 451048962 /nfs/dbraw/zinc/04/89/62/451048962.db2.gz LWZCMRDIANQBMP-CVEARBPZSA-N 2 2 325.497 1.410 20 0 EDADLP CCC(C)(C)[C@@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635551407 451048963 /nfs/dbraw/zinc/04/89/63/451048963.db2.gz LWZCMRDIANQBMP-CVEARBPZSA-N 2 2 325.497 1.410 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000627056469 451104971 /nfs/dbraw/zinc/10/49/71/451104971.db2.gz AZQWAPNBAJHBRX-ZYHUDNBSSA-N 2 2 333.358 1.131 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000635650583 451136373 /nfs/dbraw/zinc/13/63/73/451136373.db2.gz OOZOAHBDQDNJAI-UHFFFAOYSA-N 2 2 334.464 1.618 20 0 EDADLP CN(C)[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1c[nH+]cn1C ZINC000622543191 451167789 /nfs/dbraw/zinc/16/77/89/451167789.db2.gz CQZCBNZVTJFQLD-KRWDZBQOSA-N 2 2 329.448 1.766 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[NH2+]C[C@H]2C(C)C)nc(C(C)C)[nH+]1 ZINC000627178849 451168201 /nfs/dbraw/zinc/16/82/01/451168201.db2.gz AAHFRMCCGYVCFI-HNNXBMFYSA-N 2 2 348.495 1.960 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635715074 451193831 /nfs/dbraw/zinc/19/38/31/451193831.db2.gz SBNVIQPIRXCUAQ-QWHCGFSZSA-N 2 2 348.369 1.292 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cn3cc(C4CC4)cn3)c2)CC1 ZINC000634194461 451230287 /nfs/dbraw/zinc/23/02/87/451230287.db2.gz NCXAQWKRNOAJAK-UHFFFAOYSA-N 2 2 340.431 1.546 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000628277879 451208361 /nfs/dbraw/zinc/20/83/61/451208361.db2.gz NSLFVHIZZFVTKQ-UHFFFAOYSA-N 2 2 335.496 1.778 20 0 EDADLP CCc1c[nH]c(=O)c(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC000634194103 451229080 /nfs/dbraw/zinc/22/90/80/451229080.db2.gz JSMPMQYRBRQVGJ-UHFFFAOYSA-N 2 2 341.415 1.749 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000635783437 451237831 /nfs/dbraw/zinc/23/78/31/451237831.db2.gz VSGAPZVZMXEOBO-IAGOWNOFSA-N 2 2 346.475 1.864 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000635783437 451237837 /nfs/dbraw/zinc/23/78/37/451237837.db2.gz VSGAPZVZMXEOBO-IAGOWNOFSA-N 2 2 346.475 1.864 20 0 EDADLP C[NH+](C)[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000640324568 451254652 /nfs/dbraw/zinc/25/46/52/451254652.db2.gz STQVTKGUFQKPSW-CVEARBPZSA-N 2 2 339.867 1.516 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)C[C@@H]1C ZINC000638109425 451276472 /nfs/dbraw/zinc/27/64/72/451276472.db2.gz FDLQPBNFCRTJLB-JSGCOSHPSA-N 2 2 343.468 1.778 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)C[C@@H]1C ZINC000638109425 451276474 /nfs/dbraw/zinc/27/64/74/451276474.db2.gz FDLQPBNFCRTJLB-JSGCOSHPSA-N 2 2 343.468 1.778 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)C[C@@H]1C ZINC000638109425 451276477 /nfs/dbraw/zinc/27/64/77/451276477.db2.gz FDLQPBNFCRTJLB-JSGCOSHPSA-N 2 2 343.468 1.778 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)C[C@@H]1C ZINC000638109425 451276478 /nfs/dbraw/zinc/27/64/78/451276478.db2.gz FDLQPBNFCRTJLB-JSGCOSHPSA-N 2 2 343.468 1.778 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([N@@H+](C)C[C@@H](C)O)CC3)cc2[nH+]1 ZINC000635830611 451280245 /nfs/dbraw/zinc/28/02/45/451280245.db2.gz YCZKFHVSFLHIFN-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([N@H+](C)C[C@@H](C)O)CC3)cc2[nH+]1 ZINC000635830611 451280248 /nfs/dbraw/zinc/28/02/48/451280248.db2.gz YCZKFHVSFLHIFN-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638128240 451299186 /nfs/dbraw/zinc/29/91/86/451299186.db2.gz QWMKCMZCKOWHPE-OAHLLOKOSA-N 2 2 325.478 1.498 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638128240 451299190 /nfs/dbraw/zinc/29/91/90/451299190.db2.gz QWMKCMZCKOWHPE-OAHLLOKOSA-N 2 2 325.478 1.498 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638128240 451299194 /nfs/dbraw/zinc/29/91/94/451299194.db2.gz QWMKCMZCKOWHPE-OAHLLOKOSA-N 2 2 325.478 1.498 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638128240 451299197 /nfs/dbraw/zinc/29/91/97/451299197.db2.gz QWMKCMZCKOWHPE-OAHLLOKOSA-N 2 2 325.478 1.498 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636589588 451330860 /nfs/dbraw/zinc/33/08/60/451330860.db2.gz KQMHEMWCWCRELU-CYBMUJFWSA-N 2 2 331.424 1.557 20 0 EDADLP COC[C@]1(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCC[NH2+]1 ZINC000638229427 451370953 /nfs/dbraw/zinc/37/09/53/451370953.db2.gz FCDUBLWHLDODPY-QGZVFWFLSA-N 2 2 330.388 1.076 20 0 EDADLP COC[C@@]1(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCC[NH2+]1 ZINC000638234183 451373003 /nfs/dbraw/zinc/37/30/03/451373003.db2.gz YYXQADWQGGKYFM-AAEUAGOBSA-N 2 2 334.342 1.261 20 0 EDADLP COC[C@]1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCCC[NH2+]1 ZINC000638275087 451393913 /nfs/dbraw/zinc/39/39/13/451393913.db2.gz DIRFUEZJTHMRAE-SFHVURJKSA-N 2 2 328.416 1.647 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000628753829 451398719 /nfs/dbraw/zinc/39/87/19/451398719.db2.gz ZZJQRZUTVDJDON-FUHWJXTLSA-N 2 2 339.524 1.972 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000628753829 451398722 /nfs/dbraw/zinc/39/87/22/451398722.db2.gz ZZJQRZUTVDJDON-FUHWJXTLSA-N 2 2 339.524 1.972 20 0 EDADLP C[C@@H](NC(=O)Nc1cc(C[NH+](C)C)ccn1)[C@H](C)[NH+]1CCOCC1 ZINC000640561085 451407208 /nfs/dbraw/zinc/40/72/08/451407208.db2.gz XZTMOOKCCGLYQA-KGLIPLIRSA-N 2 2 335.452 1.374 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000635972680 451407617 /nfs/dbraw/zinc/40/76/17/451407617.db2.gz POGKIPZZKZAWSI-AZUAARDMSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000635972680 451407621 /nfs/dbraw/zinc/40/76/21/451407621.db2.gz POGKIPZZKZAWSI-AZUAARDMSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000635972680 451407626 /nfs/dbraw/zinc/40/76/26/451407626.db2.gz POGKIPZZKZAWSI-AZUAARDMSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000635972680 451407629 /nfs/dbraw/zinc/40/76/29/451407629.db2.gz POGKIPZZKZAWSI-AZUAARDMSA-N 2 2 343.471 1.824 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635971453 451407780 /nfs/dbraw/zinc/40/77/80/451407780.db2.gz JZGVFKGSRLPZQQ-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635971453 451407782 /nfs/dbraw/zinc/40/77/82/451407782.db2.gz JZGVFKGSRLPZQQ-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635971453 451407785 /nfs/dbraw/zinc/40/77/85/451407785.db2.gz JZGVFKGSRLPZQQ-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635971453 451407788 /nfs/dbraw/zinc/40/77/88/451407788.db2.gz JZGVFKGSRLPZQQ-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP [NH3+][C@@H](C(=O)NCC[N@@H+]1CCCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000638293102 451409628 /nfs/dbraw/zinc/40/96/28/451409628.db2.gz HERKHWQIOTZRIB-CQSZACIVSA-N 2 2 345.365 1.544 20 0 EDADLP [NH3+][C@@H](C(=O)NCC[N@H+]1CCCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000638293102 451409635 /nfs/dbraw/zinc/40/96/35/451409635.db2.gz HERKHWQIOTZRIB-CQSZACIVSA-N 2 2 345.365 1.544 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)n1cc[nH+]c1 ZINC000635976635 451412602 /nfs/dbraw/zinc/41/26/02/451412602.db2.gz XXFTZRIIFZVEFU-IAGOWNOFSA-N 2 2 334.464 1.794 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@H](C)[N@H+]1CCO ZINC000635991748 451422830 /nfs/dbraw/zinc/42/28/30/451422830.db2.gz QPEPYXCIYDSBEB-OKILXGFUSA-N 2 2 344.415 1.105 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@H](C)[N@@H+]1CCO ZINC000635991748 451422837 /nfs/dbraw/zinc/42/28/37/451422837.db2.gz QPEPYXCIYDSBEB-OKILXGFUSA-N 2 2 344.415 1.105 20 0 EDADLP O[C@H](C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)CC1(O)CCOCC1 ZINC000634636978 451428846 /nfs/dbraw/zinc/42/88/46/451428846.db2.gz NAAMIHUUCFDLHC-RBUKOAKNSA-N 2 2 348.487 1.706 20 0 EDADLP C[C@@](O)(C[C@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000634642818 451436200 /nfs/dbraw/zinc/43/62/00/451436200.db2.gz QYISBLIIUSOAOU-DLBZAZTESA-N 2 2 342.549 1.850 20 0 EDADLP O[C@]1(C[NH2+]Cc2cnc3n2CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000634714356 451493857 /nfs/dbraw/zinc/49/38/57/451493857.db2.gz JZPUMXWHWYHCKI-FQEVSTJZSA-N 2 2 340.471 1.946 20 0 EDADLP O[C@]1(C[NH2+]Cc2cnc3n2CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000634714356 451493864 /nfs/dbraw/zinc/49/38/64/451493864.db2.gz JZPUMXWHWYHCKI-FQEVSTJZSA-N 2 2 340.471 1.946 20 0 EDADLP O[C@]1(CNCc2c[nH+]c3n2CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000634714356 451493868 /nfs/dbraw/zinc/49/38/68/451493868.db2.gz JZPUMXWHWYHCKI-FQEVSTJZSA-N 2 2 340.471 1.946 20 0 EDADLP O[C@]1(CNCc2c[nH+]c3n2CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000634714356 451493875 /nfs/dbraw/zinc/49/38/75/451493875.db2.gz JZPUMXWHWYHCKI-FQEVSTJZSA-N 2 2 340.471 1.946 20 0 EDADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(C4CC4)no3)ccn2)CC1 ZINC000638370495 451468498 /nfs/dbraw/zinc/46/84/98/451468498.db2.gz KQIUNMJVGJMONM-UHFFFAOYSA-N 2 2 327.432 1.989 20 0 EDADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000634698195 451469495 /nfs/dbraw/zinc/46/94/95/451469495.db2.gz CQGVOSBFEFPFCI-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000634698195 451469499 /nfs/dbraw/zinc/46/94/99/451469499.db2.gz CQGVOSBFEFPFCI-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ncnn2C)CC1 ZINC000638374991 451472127 /nfs/dbraw/zinc/47/21/27/451472127.db2.gz UHUMYWCXPQQSLC-UHFFFAOYSA-N 2 2 328.464 1.242 20 0 EDADLP CO[C@H](CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1)C1CCOCC1 ZINC000638398340 451487732 /nfs/dbraw/zinc/48/77/32/451487732.db2.gz LJYCKCKRPAUHIJ-QGZVFWFLSA-N 2 2 334.464 1.687 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634719192 451499921 /nfs/dbraw/zinc/49/99/21/451499921.db2.gz POZVDAPKOMKFQN-OLZOCXBDSA-N 2 2 337.247 1.245 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000634724432 451506443 /nfs/dbraw/zinc/50/64/43/451506443.db2.gz PZYBTYKZAAELMZ-GJZGRUSLSA-N 2 2 332.366 1.784 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000634724432 451506445 /nfs/dbraw/zinc/50/64/45/451506445.db2.gz PZYBTYKZAAELMZ-GJZGRUSLSA-N 2 2 332.366 1.784 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638425300 451507945 /nfs/dbraw/zinc/50/79/45/451507945.db2.gz FBMNFQILJOFIPT-OAHLLOKOSA-N 3 2 334.464 1.287 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638425300 451507959 /nfs/dbraw/zinc/50/79/59/451507959.db2.gz FBMNFQILJOFIPT-OAHLLOKOSA-N 3 2 334.464 1.287 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638425300 451507966 /nfs/dbraw/zinc/50/79/66/451507966.db2.gz FBMNFQILJOFIPT-OAHLLOKOSA-N 2 2 334.464 1.287 20 0 EDADLP C[C@@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000638449072 451521429 /nfs/dbraw/zinc/52/14/29/451521429.db2.gz LHYQACRBGRXNIO-HNNXBMFYSA-N 2 2 345.553 1.947 20 0 EDADLP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000632703091 451527665 /nfs/dbraw/zinc/52/76/65/451527665.db2.gz NYOHORAOMWMTPB-UHFFFAOYSA-N 2 2 347.463 1.235 20 0 EDADLP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000632703091 451527670 /nfs/dbraw/zinc/52/76/70/451527670.db2.gz NYOHORAOMWMTPB-UHFFFAOYSA-N 2 2 347.463 1.235 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000631029853 451541818 /nfs/dbraw/zinc/54/18/18/451541818.db2.gz GXFXFSATGHAXND-OAHLLOKOSA-N 2 2 348.520 1.999 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000638492368 451542508 /nfs/dbraw/zinc/54/25/08/451542508.db2.gz OQLVFMYPXIALHA-SFHVURJKSA-N 2 2 326.444 1.930 20 0 EDADLP O=C(CC[NH2+]Cc1ccc(=O)[nH]c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000631056005 451557942 /nfs/dbraw/zinc/55/79/42/451557942.db2.gz CAXPWWFQKJHBIU-UHFFFAOYSA-N 2 2 341.415 1.011 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000629165644 451574428 /nfs/dbraw/zinc/57/44/28/451574428.db2.gz CAEDRDPKRGBGFA-HUUCEWRRSA-N 2 2 325.840 1.126 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000629165644 451574431 /nfs/dbraw/zinc/57/44/31/451574431.db2.gz CAEDRDPKRGBGFA-HUUCEWRRSA-N 2 2 325.840 1.126 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2cnc(CCOC)s2)CC1 ZINC000631061667 451562406 /nfs/dbraw/zinc/56/24/06/451562406.db2.gz ZHHGSFRJGFBNID-UHFFFAOYSA-N 2 2 327.494 1.923 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC[C@H]4C[NH2+]CC[C@H]43)nc[nH+]2)CC1 ZINC000634812963 451566354 /nfs/dbraw/zinc/56/63/54/451566354.db2.gz VOZSVONLJUHSHH-LSDHHAIUSA-N 2 2 331.464 1.406 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC[C@H]4C[NH2+]CC[C@H]43)[nH+]cn2)CC1 ZINC000634812963 451566358 /nfs/dbraw/zinc/56/63/58/451566358.db2.gz VOZSVONLJUHSHH-LSDHHAIUSA-N 2 2 331.464 1.406 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H]1CCOC1 ZINC000631079748 451572392 /nfs/dbraw/zinc/57/23/92/451572392.db2.gz SIKADKIOYSTPHV-AEFFLSMTSA-N 2 2 334.460 1.912 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1(CO)CC1 ZINC000631172764 451623658 /nfs/dbraw/zinc/62/36/58/451623658.db2.gz LFXIIAJUUZYDJI-MRXNPFEDSA-N 2 2 334.460 1.648 20 0 EDADLP CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631184985 451632498 /nfs/dbraw/zinc/63/24/98/451632498.db2.gz GIGCKHRKEMECEV-IZAXUBKRSA-N 2 2 334.460 1.912 20 0 EDADLP [NH3+]CCCOCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638664155 451639219 /nfs/dbraw/zinc/63/92/19/451639219.db2.gz RNSJHGCRSJFBCT-INIZCTEOSA-N 2 2 339.867 1.786 20 0 EDADLP [NH3+]CCCOCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638664155 451639222 /nfs/dbraw/zinc/63/92/22/451639222.db2.gz RNSJHGCRSJFBCT-INIZCTEOSA-N 2 2 339.867 1.786 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)C1 ZINC000634992131 451640369 /nfs/dbraw/zinc/64/03/69/451640369.db2.gz FINNUSVSFIOMTO-XNGIKWSVSA-N 2 2 334.508 1.051 20 0 EDADLP c1nc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc2c1OCCO2 ZINC000638669299 451641810 /nfs/dbraw/zinc/64/18/10/451641810.db2.gz QRIXHAJXMKBAQK-CQSZACIVSA-N 2 2 333.432 1.443 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc3c(c1)OCC[NH2+]C3)CC2 ZINC000638674614 451645044 /nfs/dbraw/zinc/64/50/44/451645044.db2.gz VUJRRNBSMBJTLJ-CYBMUJFWSA-N 2 2 326.400 1.875 20 0 EDADLP OCC[NH2+]C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000635002828 451646559 /nfs/dbraw/zinc/64/65/59/451646559.db2.gz ZOOPGUBUQRMPSZ-UHFFFAOYSA-N 2 2 332.423 1.617 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC2(O)CCN(c3ccccc3)CC2)C1 ZINC000631219570 451646825 /nfs/dbraw/zinc/64/68/25/451646825.db2.gz XGTOPDVAFSRBGW-GOSISDBHSA-N 2 2 347.503 1.718 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC2(O)CCN(c3ccccc3)CC2)C1 ZINC000631219570 451646830 /nfs/dbraw/zinc/64/68/30/451646830.db2.gz XGTOPDVAFSRBGW-GOSISDBHSA-N 2 2 347.503 1.718 20 0 EDADLP OCC[NH2+]C1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000635001334 451646900 /nfs/dbraw/zinc/64/69/00/451646900.db2.gz PBYHDEUZZYOKDH-UHFFFAOYSA-N 2 2 328.416 1.815 20 0 EDADLP Cn1ncc(Br)c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000635020169 451655023 /nfs/dbraw/zinc/65/50/23/451655023.db2.gz KQCCLEPMUASBFT-WCFLWFBJSA-N 2 2 343.269 1.429 20 0 EDADLP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636328814 451682275 /nfs/dbraw/zinc/68/22/75/451682275.db2.gz ILSHIEWPRDCTIS-SFHVURJKSA-N 2 2 343.475 1.180 20 0 EDADLP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636328814 451682276 /nfs/dbraw/zinc/68/22/76/451682276.db2.gz ILSHIEWPRDCTIS-SFHVURJKSA-N 2 2 343.475 1.180 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1[nH+]c(C)nc3[nH]ccc31)C2 ZINC000631327897 451697532 /nfs/dbraw/zinc/69/75/32/451697532.db2.gz JMUJIOKUJXZVJV-LBPRGKRZSA-N 2 2 326.404 1.733 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638730849 451669417 /nfs/dbraw/zinc/66/94/17/451669417.db2.gz GFTXMRBNHMCRBX-ROUUACIJSA-N 2 2 348.491 1.410 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638730849 451669422 /nfs/dbraw/zinc/66/94/22/451669422.db2.gz GFTXMRBNHMCRBX-ROUUACIJSA-N 2 2 348.491 1.410 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636464019 451720971 /nfs/dbraw/zinc/72/09/71/451720971.db2.gz PWADGSRXKQJPSV-HNNXBMFYSA-N 2 2 347.463 1.142 20 0 EDADLP Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631396321 451723657 /nfs/dbraw/zinc/72/36/57/451723657.db2.gz PKDMOKCCFAUQOM-INIZCTEOSA-N 2 2 326.448 2.109 20 0 EDADLP Cc1nc(N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631396321 451723660 /nfs/dbraw/zinc/72/36/60/451723660.db2.gz PKDMOKCCFAUQOM-INIZCTEOSA-N 2 2 326.448 2.109 20 0 EDADLP CC[C@@]1(O)CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639075291 451762840 /nfs/dbraw/zinc/76/28/40/451762840.db2.gz HOTBFPCEIDCXMD-LJQANCHMSA-N 2 2 334.460 1.744 20 0 EDADLP CC[C@@]1(O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639075291 451762841 /nfs/dbraw/zinc/76/28/41/451762841.db2.gz HOTBFPCEIDCXMD-LJQANCHMSA-N 2 2 334.460 1.744 20 0 EDADLP COc1cncc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000639172019 451784665 /nfs/dbraw/zinc/78/46/65/451784665.db2.gz GFBPFQFTMRPCRO-GOSISDBHSA-N 2 2 332.492 1.999 20 0 EDADLP COc1cncc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000639172019 451784667 /nfs/dbraw/zinc/78/46/67/451784667.db2.gz GFBPFQFTMRPCRO-GOSISDBHSA-N 2 2 332.492 1.999 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641259868 451796675 /nfs/dbraw/zinc/79/66/75/451796675.db2.gz IHALQRLASLSWNI-UHFFFAOYSA-N 2 2 336.461 1.277 20 0 EDADLP COc1nsc(C[NH2+]CCc2cn(C)c[nH+]2)c1Br ZINC000639255712 451799235 /nfs/dbraw/zinc/79/92/35/451799235.db2.gz KVKUVXMZMXBKMZ-UHFFFAOYSA-N 2 2 331.239 1.980 20 0 EDADLP FC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000639260660 451800313 /nfs/dbraw/zinc/80/03/13/451800313.db2.gz BEXCIFJBXCPFJW-SFHVURJKSA-N 2 2 338.423 1.568 20 0 EDADLP FC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000639260660 451800315 /nfs/dbraw/zinc/80/03/15/451800315.db2.gz BEXCIFJBXCPFJW-SFHVURJKSA-N 2 2 338.423 1.568 20 0 EDADLP Cc1cccc2c1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO2 ZINC000637366691 451801430 /nfs/dbraw/zinc/80/14/30/451801430.db2.gz UAPIJGVOEBYDTP-INIZCTEOSA-N 2 2 348.491 1.481 20 0 EDADLP Cc1cccc2c1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CO2 ZINC000637366691 451801432 /nfs/dbraw/zinc/80/14/32/451801432.db2.gz UAPIJGVOEBYDTP-INIZCTEOSA-N 2 2 348.491 1.481 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000637371054 451803236 /nfs/dbraw/zinc/80/32/36/451803236.db2.gz WTYFJIPGAPKUSN-KRWDZBQOSA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000653276405 451810271 /nfs/dbraw/zinc/81/02/71/451810271.db2.gz DGVOXFDMARBVSR-OWSLCNJRSA-N 2 2 331.460 1.787 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000639304862 451817494 /nfs/dbraw/zinc/81/74/94/451817494.db2.gz CUWKDTRZCUNZDE-CYBMUJFWSA-N 2 2 331.526 1.699 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000639304862 451817500 /nfs/dbraw/zinc/81/75/00/451817500.db2.gz CUWKDTRZCUNZDE-CYBMUJFWSA-N 2 2 331.526 1.699 20 0 EDADLP Cc1ccc([C@@H](CNC[C@H](O)C[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000644535334 451848212 /nfs/dbraw/zinc/84/82/12/451848212.db2.gz GAPQGJGNFZSIFY-DLBZAZTESA-N 2 2 337.464 1.008 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000641333128 451856101 /nfs/dbraw/zinc/85/61/01/451856101.db2.gz ZWMGPNOUIVXYGQ-KRWDZBQOSA-N 2 2 348.472 1.467 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000641333128 451856110 /nfs/dbraw/zinc/85/61/10/451856110.db2.gz ZWMGPNOUIVXYGQ-KRWDZBQOSA-N 2 2 348.472 1.467 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H]2CCOc3ccccc32)C[C@@H](C)O1 ZINC000644556828 451857837 /nfs/dbraw/zinc/85/78/37/451857837.db2.gz CZUFVOHNSLHULH-QBPKDAKJSA-N 2 2 334.460 1.612 20 0 EDADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000644559347 451860151 /nfs/dbraw/zinc/86/01/51/451860151.db2.gz IEBCCBFOJIJACB-HUUCEWRRSA-N 2 2 341.883 1.224 20 0 EDADLP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000644559347 451860158 /nfs/dbraw/zinc/86/01/58/451860158.db2.gz IEBCCBFOJIJACB-HUUCEWRRSA-N 2 2 341.883 1.224 20 0 EDADLP CCC(CC)[C@H](CNC[C@H](O)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000644563369 451864087 /nfs/dbraw/zinc/86/40/87/451864087.db2.gz INPXAXCKVXDKOS-ROUUACIJSA-N 2 2 327.513 1.170 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)[C@@H](C[NH3+])C1 ZINC000646836268 451874779 /nfs/dbraw/zinc/87/47/79/451874779.db2.gz BWSPXXYTMGNWLD-INIZCTEOSA-N 2 2 342.443 1.766 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)[C@@H](C[NH3+])C1 ZINC000646836268 451874786 /nfs/dbraw/zinc/87/47/86/451874786.db2.gz BWSPXXYTMGNWLD-INIZCTEOSA-N 2 2 342.443 1.766 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000644589378 451881093 /nfs/dbraw/zinc/88/10/93/451881093.db2.gz WYXCPNDCTASGJV-OMWUSAIZSA-N 2 2 347.459 1.457 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000644589378 451881098 /nfs/dbraw/zinc/88/10/98/451881098.db2.gz WYXCPNDCTASGJV-OMWUSAIZSA-N 2 2 347.459 1.457 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000639473908 451885506 /nfs/dbraw/zinc/88/55/06/451885506.db2.gz JGLXNIXSWFPYSB-UHFFFAOYSA-N 2 2 343.471 1.499 20 0 EDADLP Cc1cc(Br)cn2cc(CC[NH2+]CCC(N)=O)[nH+]c12 ZINC000644620975 451899788 /nfs/dbraw/zinc/89/97/88/451899788.db2.gz WGDDZGPMLPSTKQ-UHFFFAOYSA-N 2 2 325.210 1.413 20 0 EDADLP CN(C)c1cccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000644608883 451894423 /nfs/dbraw/zinc/89/44/23/451894423.db2.gz JBQSZEFWVFFZLX-SFHVURJKSA-N 2 2 328.460 1.730 20 0 EDADLP CN(C)c1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000644608883 451894426 /nfs/dbraw/zinc/89/44/26/451894426.db2.gz JBQSZEFWVFFZLX-SFHVURJKSA-N 2 2 328.460 1.730 20 0 EDADLP C[N@H+](CCc1cnccn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639558938 451945526 /nfs/dbraw/zinc/94/55/26/451945526.db2.gz LFZIOEJZFUVTGR-IBGZPJMESA-N 2 2 326.444 1.588 20 0 EDADLP C[N@@H+](CCc1cnccn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639558938 451945529 /nfs/dbraw/zinc/94/55/29/451945529.db2.gz LFZIOEJZFUVTGR-IBGZPJMESA-N 2 2 326.444 1.588 20 0 EDADLP C[NH+](CCc1cnccn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639558938 451945533 /nfs/dbraw/zinc/94/55/33/451945533.db2.gz LFZIOEJZFUVTGR-IBGZPJMESA-N 2 2 326.444 1.588 20 0 EDADLP C[NH+](CCc1cnccn1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639558938 451945538 /nfs/dbraw/zinc/94/55/38/451945538.db2.gz LFZIOEJZFUVTGR-IBGZPJMESA-N 2 2 326.444 1.588 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCCCCn2cc[nH+]c2)C1 ZINC000641408200 451945742 /nfs/dbraw/zinc/94/57/42/451945742.db2.gz DZLUJZNUZNEXST-UHFFFAOYSA-N 2 2 348.472 1.630 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)NCCCCn2cc[nH+]c2)C1 ZINC000641408200 451945748 /nfs/dbraw/zinc/94/57/48/451945748.db2.gz DZLUJZNUZNEXST-UHFFFAOYSA-N 2 2 348.472 1.630 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCn2ccccc2=O)CC1 ZINC000649291551 451967600 /nfs/dbraw/zinc/96/76/00/451967600.db2.gz YSLGNSBOPGIKKF-IBGZPJMESA-N 2 2 346.519 1.729 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](CCn2ccccc2=O)CC1 ZINC000649291551 451967603 /nfs/dbraw/zinc/96/76/03/451967603.db2.gz YSLGNSBOPGIKKF-IBGZPJMESA-N 2 2 346.519 1.729 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642904573 451982622 /nfs/dbraw/zinc/98/26/22/451982622.db2.gz ZCUNJGWJOVDDRM-GJZGRUSLSA-N 2 2 347.463 1.215 20 0 EDADLP [NH3+]C1CCC(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000649330357 452012278 /nfs/dbraw/zinc/01/22/78/452012278.db2.gz UKEDFESWWOZYQK-ACBHZAAOSA-N 2 2 345.487 1.564 20 0 EDADLP CC(C)c1[nH+]c(CNCC(=O)N2CC[NH+](C)CC2)c2ccccn21 ZINC000651690843 452016570 /nfs/dbraw/zinc/01/65/70/452016570.db2.gz YLDRMFGOVXGWNW-UHFFFAOYSA-N 2 2 329.448 1.321 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4OCC[NH2+][C@H]4C3)CC2)[nH+]c1 ZINC000649361294 452042344 /nfs/dbraw/zinc/04/23/44/452042344.db2.gz KAYFOIYWTNYHAF-DLBZAZTESA-N 2 2 344.459 1.196 20 0 EDADLP [NH3+]CC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(F)F ZINC000647071536 452042653 /nfs/dbraw/zinc/04/26/53/452042653.db2.gz KGDPBYVYJBZYRC-AWEZNQCLSA-N 2 2 327.375 1.231 20 0 EDADLP CC[N@H+](CCN1CC[NH2+]CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000649413743 452076692 /nfs/dbraw/zinc/07/66/92/452076692.db2.gz AIXXONJBSNGZLQ-UHFFFAOYSA-N 3 2 331.508 1.525 20 0 EDADLP CC[N@@H+](CCN1CC[NH2+]CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000649413743 452076700 /nfs/dbraw/zinc/07/67/00/452076700.db2.gz AIXXONJBSNGZLQ-UHFFFAOYSA-N 3 2 331.508 1.525 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000653722071 452090990 /nfs/dbraw/zinc/09/09/90/452090990.db2.gz ARZZFBBXQUBNPG-CVEARBPZSA-N 2 2 330.856 1.244 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000653722071 452090986 /nfs/dbraw/zinc/09/09/86/452090986.db2.gz ARZZFBBXQUBNPG-CVEARBPZSA-N 2 2 330.856 1.244 20 0 EDADLP CC(C)C[N@H+](C)CCCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000649477972 452101642 /nfs/dbraw/zinc/10/16/42/452101642.db2.gz NFWCHFZESYRQPC-UHFFFAOYSA-N 2 2 340.435 1.995 20 0 EDADLP CC(C)C[N@@H+](C)CCCNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000649477972 452101648 /nfs/dbraw/zinc/10/16/48/452101648.db2.gz NFWCHFZESYRQPC-UHFFFAOYSA-N 2 2 340.435 1.995 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000641592946 452112537 /nfs/dbraw/zinc/11/25/37/452112537.db2.gz MLQSVDVLHDWDRD-UHFFFAOYSA-N 2 2 325.478 1.463 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000641592946 452112541 /nfs/dbraw/zinc/11/25/41/452112541.db2.gz MLQSVDVLHDWDRD-UHFFFAOYSA-N 2 2 325.478 1.463 20 0 EDADLP O=C(C[N@H+]1CCCCC[C@@H]1CO)N1CC[NH+](Cc2ccco2)CC1 ZINC000653783854 452114961 /nfs/dbraw/zinc/11/49/61/452114961.db2.gz VIORHRGUQSVNIG-MRXNPFEDSA-N 2 2 335.448 1.161 20 0 EDADLP O=C(C[N@@H+]1CCCCC[C@@H]1CO)N1CC[NH+](Cc2ccco2)CC1 ZINC000653783854 452114968 /nfs/dbraw/zinc/11/49/68/452114968.db2.gz VIORHRGUQSVNIG-MRXNPFEDSA-N 2 2 335.448 1.161 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)n1cc[nH+]c1 ZINC000649605728 452163259 /nfs/dbraw/zinc/16/32/59/452163259.db2.gz CVLMSKVNWKJMPS-AWEZNQCLSA-N 2 2 343.431 1.764 20 0 EDADLP COc1cncc(/C=C\CC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000649684965 452196917 /nfs/dbraw/zinc/19/69/17/452196917.db2.gz JKKOGUTXOFWKGD-XQRVVYSFSA-N 2 2 332.448 1.199 20 0 EDADLP COc1cncc(/C=C\CC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000649684965 452196925 /nfs/dbraw/zinc/19/69/25/452196925.db2.gz JKKOGUTXOFWKGD-XQRVVYSFSA-N 2 2 332.448 1.199 20 0 EDADLP CC(C)O[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000649702989 452203665 /nfs/dbraw/zinc/20/36/65/452203665.db2.gz RYBJKOSEYAMFKT-SFHVURJKSA-N 2 2 349.475 1.813 20 0 EDADLP CC(C)O[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000649702989 452203671 /nfs/dbraw/zinc/20/36/71/452203671.db2.gz RYBJKOSEYAMFKT-SFHVURJKSA-N 2 2 349.475 1.813 20 0 EDADLP [NH3+]C1(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CCC1 ZINC000645225362 452220004 /nfs/dbraw/zinc/22/00/04/452220004.db2.gz BMAAJZLQZSUYBY-UHFFFAOYSA-N 2 2 345.443 1.374 20 0 EDADLP COC[C@@]1(C)C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000639897719 452222795 /nfs/dbraw/zinc/22/27/95/452222795.db2.gz JEPSKCJJWUVBEW-MOPGFXCFSA-N 2 2 334.460 1.361 20 0 EDADLP COC[C@@]1(C)C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000639897719 452222802 /nfs/dbraw/zinc/22/28/02/452222802.db2.gz JEPSKCJJWUVBEW-MOPGFXCFSA-N 2 2 334.460 1.361 20 0 EDADLP COC[C@@]1(C)C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000639897719 452222806 /nfs/dbraw/zinc/22/28/06/452222806.db2.gz JEPSKCJJWUVBEW-MOPGFXCFSA-N 2 2 334.460 1.361 20 0 EDADLP COC[C@@]1(C)C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000639897719 452222811 /nfs/dbraw/zinc/22/28/11/452222811.db2.gz JEPSKCJJWUVBEW-MOPGFXCFSA-N 2 2 334.460 1.361 20 0 EDADLP Cc1cc(NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc[nH+]1 ZINC000639899556 452224596 /nfs/dbraw/zinc/22/45/96/452224596.db2.gz CCUXYEFMHHPAMB-INIZCTEOSA-N 2 2 332.448 1.919 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665700693 452258014 /nfs/dbraw/zinc/25/80/14/452258014.db2.gz YQEQDUZHZOCBHQ-CQSZACIVSA-N 2 2 325.416 1.992 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665700693 452258023 /nfs/dbraw/zinc/25/80/23/452258023.db2.gz YQEQDUZHZOCBHQ-CQSZACIVSA-N 2 2 325.416 1.992 20 0 EDADLP CCn1ccnc1[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641785927 452258182 /nfs/dbraw/zinc/25/81/82/452258182.db2.gz MOYVSCCCPVETGA-IAGOWNOFSA-N 2 2 335.496 1.350 20 0 EDADLP c1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)nc2c1CCC2 ZINC000641786471 452259318 /nfs/dbraw/zinc/25/93/18/452259318.db2.gz BTJKMNBUFPAPJQ-LJQANCHMSA-N 2 2 344.503 1.457 20 0 EDADLP COC[C@@H](CC(C)C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789102 452266400 /nfs/dbraw/zinc/26/64/00/452266400.db2.gz YRTWLCLPPGUCTK-QZTJIDSGSA-N 2 2 327.513 1.434 20 0 EDADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000638021314 452268222 /nfs/dbraw/zinc/26/82/22/452268222.db2.gz CJXUVYHJUIPJTB-QGZVFWFLSA-N 2 2 331.464 1.111 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[C@H]1F ZINC000659432312 452277280 /nfs/dbraw/zinc/27/72/80/452277280.db2.gz YRDVNAMQVZMOJH-VXGBXAGGSA-N 2 2 325.775 1.568 20 0 EDADLP [NH3+]C1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000647552252 452279676 /nfs/dbraw/zinc/27/96/76/452279676.db2.gz MQBMGGHNULJNIX-XUVXKRRUSA-N 4 2 342.531 1.958 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cc3cc[nH]c3cn2)CC1 ZINC000654139418 452280248 /nfs/dbraw/zinc/28/02/48/452280248.db2.gz MGYPMEGCEOMCKN-UHFFFAOYSA-N 2 2 330.436 1.710 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000641803835 452280415 /nfs/dbraw/zinc/28/04/15/452280415.db2.gz VDPUCMXKEKBMHE-SJORKVTESA-N 3 2 346.475 1.173 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000641803835 452280420 /nfs/dbraw/zinc/28/04/20/452280420.db2.gz VDPUCMXKEKBMHE-SJORKVTESA-N 2 2 346.475 1.173 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000665717664 452281190 /nfs/dbraw/zinc/28/11/90/452281190.db2.gz RBLTWZJPROMEKU-MCIONIFRSA-N 2 2 326.510 1.348 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000665717664 452281200 /nfs/dbraw/zinc/28/12/00/452281200.db2.gz RBLTWZJPROMEKU-MCIONIFRSA-N 2 2 326.510 1.348 20 0 EDADLP C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000665719811 452284124 /nfs/dbraw/zinc/28/41/24/452284124.db2.gz WCWADJDMETZCPS-CQSZACIVSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000659440382 452289667 /nfs/dbraw/zinc/28/96/67/452289667.db2.gz NJROLSCZDNTMCN-KRWDZBQOSA-N 2 2 348.491 1.747 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1C ZINC000641810484 452291142 /nfs/dbraw/zinc/29/11/42/452291142.db2.gz XLWXGYVVRSXBCN-FMKPAKJESA-N 2 2 339.505 1.885 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1C ZINC000641810484 452291152 /nfs/dbraw/zinc/29/11/52/452291152.db2.gz XLWXGYVVRSXBCN-FMKPAKJESA-N 2 2 339.505 1.885 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H]1CC[N@H+](C)C1 ZINC000647569023 452300793 /nfs/dbraw/zinc/30/07/93/452300793.db2.gz ZBNYPZUSHJVAAD-CABCVRRESA-N 2 2 347.463 1.058 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647569023 452300798 /nfs/dbraw/zinc/30/07/98/452300798.db2.gz ZBNYPZUSHJVAAD-CABCVRRESA-N 2 2 347.463 1.058 20 0 EDADLP [NH3+]CC1(CCNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000652121536 452318115 /nfs/dbraw/zinc/31/81/15/452318115.db2.gz MJPFWMXZPMPIPE-KRWDZBQOSA-N 2 2 346.475 1.488 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000643595248 452319531 /nfs/dbraw/zinc/31/95/31/452319531.db2.gz NMZNEINMECOFII-XLIONFOSSA-N 2 2 336.439 1.708 20 0 EDADLP C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000661523272 452333498 /nfs/dbraw/zinc/33/34/98/452333498.db2.gz FURXYAOVGLEKNT-MAUKXSAKSA-N 2 2 345.487 1.531 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)CC2)cc1F ZINC000638053905 452334827 /nfs/dbraw/zinc/33/48/27/452334827.db2.gz BTOBTZJDGXLBGK-HNNXBMFYSA-N 2 2 333.407 1.526 20 0 EDADLP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000638054028 452334844 /nfs/dbraw/zinc/33/48/44/452334844.db2.gz WCCHAOHQUFCWFS-INIZCTEOSA-N 2 2 349.862 1.911 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000659476168 452335083 /nfs/dbraw/zinc/33/50/83/452335083.db2.gz SZGFBEWJWPLSRK-COLVAYQJSA-N 2 2 326.391 1.617 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000659476168 452335093 /nfs/dbraw/zinc/33/50/93/452335093.db2.gz SZGFBEWJWPLSRK-COLVAYQJSA-N 2 2 326.391 1.617 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000638059040 452348566 /nfs/dbraw/zinc/34/85/66/452348566.db2.gz FEDSSNBRFJTVKT-CRAIPNDOSA-N 2 2 332.448 1.455 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659494194 452357741 /nfs/dbraw/zinc/35/77/41/452357741.db2.gz NCDJFRZHTATCLW-GJZGRUSLSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659494194 452357744 /nfs/dbraw/zinc/35/77/44/452357744.db2.gz NCDJFRZHTATCLW-GJZGRUSLSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000647629705 452365127 /nfs/dbraw/zinc/36/51/27/452365127.db2.gz WQCWPIICHDYKBJ-GOEBONIOSA-N 2 2 329.379 1.526 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000657599206 452371286 /nfs/dbraw/zinc/37/12/86/452371286.db2.gz ZYTVRRXUFBWLRO-BHIYHBOVSA-N 2 2 334.460 1.265 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000657599206 452371297 /nfs/dbraw/zinc/37/12/97/452371297.db2.gz ZYTVRRXUFBWLRO-BHIYHBOVSA-N 2 2 334.460 1.265 20 0 EDADLP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](c3cccs3)c3nnc[nH]3)C2)CC1 ZINC000645408780 452379912 /nfs/dbraw/zinc/37/99/12/452379912.db2.gz CXAFDDIIILVGHJ-CZUORRHYSA-N 2 2 346.504 1.714 20 0 EDADLP O=C(CN1CC[NH2+]CC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000638073753 452383589 /nfs/dbraw/zinc/38/35/89/452383589.db2.gz GDRBUMGGYPVUMB-UHFFFAOYSA-N 2 2 339.443 1.730 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1OC(F)F ZINC000640049737 452391374 /nfs/dbraw/zinc/39/13/74/452391374.db2.gz RJHHAWLKXQLPQB-UHFFFAOYSA-N 2 2 327.375 1.494 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1OC(F)F ZINC000640049737 452391379 /nfs/dbraw/zinc/39/13/79/452391379.db2.gz RJHHAWLKXQLPQB-UHFFFAOYSA-N 2 2 327.375 1.494 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000638077990 452392456 /nfs/dbraw/zinc/39/24/56/452392456.db2.gz WYYXBKNGBSJYLP-QGZVFWFLSA-N 2 2 338.411 1.838 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)NCc1ccc[nH+]c1N1CCCC1 ZINC000659540843 452399003 /nfs/dbraw/zinc/39/90/03/452399003.db2.gz XLPVNCHEYASYDN-UHFFFAOYSA-N 2 2 329.448 1.791 20 0 EDADLP C[N@H+](CCCOCCc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000640059097 452400199 /nfs/dbraw/zinc/40/01/99/452400199.db2.gz QPYIVTKYKUGEQI-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP C[N@@H+](CCCOCCc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000640059097 452400208 /nfs/dbraw/zinc/40/02/08/452400208.db2.gz QPYIVTKYKUGEQI-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661619605 452442026 /nfs/dbraw/zinc/44/20/26/452442026.db2.gz ASWJYBKNBCPYFI-OAGGEKHMSA-N 2 2 346.475 1.067 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000655632016 452454264 /nfs/dbraw/zinc/45/42/64/452454264.db2.gz BMRBHWIDMPRHLR-FZNQNYSPSA-N 2 2 348.472 1.550 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)C[NH+]1CCCC1 ZINC000663736991 452470998 /nfs/dbraw/zinc/47/09/98/452470998.db2.gz QGQDBSYYZPGOIV-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)C[NH+]1CCCC1 ZINC000663736991 452471006 /nfs/dbraw/zinc/47/10/06/452471006.db2.gz QGQDBSYYZPGOIV-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000652290723 452475295 /nfs/dbraw/zinc/47/52/95/452475295.db2.gz OHFZWLMPPZBKPD-YJBOKZPZSA-N 2 2 346.475 1.411 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000659639125 452503516 /nfs/dbraw/zinc/50/35/16/452503516.db2.gz NYHILBLHCPVGCG-OAHLLOKOSA-N 2 2 334.464 1.439 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000652341249 452513489 /nfs/dbraw/zinc/51/34/89/452513489.db2.gz ZTYZGKNCQPXGIX-GOSISDBHSA-N 2 2 349.500 1.703 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000652341249 452513493 /nfs/dbraw/zinc/51/34/93/452513493.db2.gz ZTYZGKNCQPXGIX-GOSISDBHSA-N 2 2 349.500 1.703 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000652345250 452516507 /nfs/dbraw/zinc/51/65/07/452516507.db2.gz FUSCGPIEIKDRCB-AWEZNQCLSA-N 2 2 337.439 1.531 20 0 EDADLP CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655710648 452529258 /nfs/dbraw/zinc/52/92/58/452529258.db2.gz CTDJAZLSDDGOIL-RBUKOAKNSA-N 2 2 345.487 1.529 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)NCc1ccco1 ZINC000655712609 452529449 /nfs/dbraw/zinc/52/94/49/452529449.db2.gz RWZVPSVIVNTSCW-RHSMWYFYSA-N 2 2 335.448 1.517 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352009 452529971 /nfs/dbraw/zinc/52/99/71/452529971.db2.gz VPMXTCRXJIRYCY-YOEHRIQHSA-N 2 2 338.473 1.530 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352009 452529980 /nfs/dbraw/zinc/52/99/80/452529980.db2.gz VPMXTCRXJIRYCY-YOEHRIQHSA-N 2 2 338.473 1.530 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cn2ccccc2n1 ZINC000655715528 452533631 /nfs/dbraw/zinc/53/36/31/452533631.db2.gz LNWBENJDZOFAPK-DLBZAZTESA-N 2 2 343.475 1.391 20 0 EDADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccn1 ZINC000655715729 452534193 /nfs/dbraw/zinc/53/41/93/452534193.db2.gz NLAZARKHCFESTC-NVXWUHKLSA-N 2 2 334.464 1.147 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@H]1C[NH3+] ZINC000652357993 452536162 /nfs/dbraw/zinc/53/61/62/452536162.db2.gz WAZMJIPOYCWKLH-CGTJXYLNSA-N 2 2 333.476 1.776 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C[C@H]1C[NH3+] ZINC000652357993 452536178 /nfs/dbraw/zinc/53/61/78/452536178.db2.gz WAZMJIPOYCWKLH-CGTJXYLNSA-N 2 2 333.476 1.776 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652357287 452536586 /nfs/dbraw/zinc/53/65/86/452536586.db2.gz HUTKHAJCCRRTKG-QLFBSQMISA-N 2 2 338.452 1.198 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652357287 452536597 /nfs/dbraw/zinc/53/65/97/452536597.db2.gz HUTKHAJCCRRTKG-QLFBSQMISA-N 2 2 338.452 1.198 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCc2ccccc2C)C[C@H]1C[NH3+] ZINC000652357319 452536749 /nfs/dbraw/zinc/53/67/49/452536749.db2.gz JOIHEFNFSISYHT-KBAYOESNSA-N 2 2 333.476 1.338 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NCCc2ccccc2C)C[C@H]1C[NH3+] ZINC000652357319 452536757 /nfs/dbraw/zinc/53/67/57/452536757.db2.gz JOIHEFNFSISYHT-KBAYOESNSA-N 2 2 333.476 1.338 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCN1Cc1ccccc1 ZINC000655724276 452537205 /nfs/dbraw/zinc/53/72/05/452537205.db2.gz AUXRWEBCBKUMAF-RBUKOAKNSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(C1CCCC1)N1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655722656 452537312 /nfs/dbraw/zinc/53/73/12/452537312.db2.gz BISUDAGWKDPINK-MSOLQXFVSA-N 2 2 335.492 1.620 20 0 EDADLP O=C1[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCN1c1ccccc1 ZINC000655724294 452537912 /nfs/dbraw/zinc/53/79/12/452537912.db2.gz TWNSBXVILZYGKY-MSOLQXFVSA-N 2 2 329.444 1.635 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000655732884 452546762 /nfs/dbraw/zinc/54/67/62/452546762.db2.gz PNXQRGOIZGNBRD-JKSUJKDBSA-N 2 2 331.464 1.786 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000655732884 452546774 /nfs/dbraw/zinc/54/67/74/452546774.db2.gz PNXQRGOIZGNBRD-JKSUJKDBSA-N 2 2 331.464 1.786 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815171 452546893 /nfs/dbraw/zinc/54/68/93/452546893.db2.gz SAPFDHQIGMEGKV-UHFFFAOYSA-N 2 2 331.460 1.918 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815171 452546900 /nfs/dbraw/zinc/54/69/00/452546900.db2.gz SAPFDHQIGMEGKV-UHFFFAOYSA-N 2 2 331.460 1.918 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)C1 ZINC000652368957 452553561 /nfs/dbraw/zinc/55/35/61/452553561.db2.gz IVTMOVTXCQOXFW-ZIAGYGMSSA-N 2 2 335.452 1.233 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)C1 ZINC000652368957 452553568 /nfs/dbraw/zinc/55/35/68/452553568.db2.gz IVTMOVTXCQOXFW-ZIAGYGMSSA-N 2 2 335.452 1.233 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3COC4(CCC4)C3)CC2)nc1 ZINC000657831798 452556722 /nfs/dbraw/zinc/55/67/22/452556722.db2.gz BRFXZKFSMUUVSR-MRXNPFEDSA-N 2 2 331.464 1.290 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)cc2[nH+]1 ZINC000657848852 452565361 /nfs/dbraw/zinc/56/53/61/452565361.db2.gz BRGJMPOZMVXSLT-UHFFFAOYSA-N 2 2 331.420 1.381 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)[C@H](C)CO1 ZINC000663850783 452578011 /nfs/dbraw/zinc/57/80/11/452578011.db2.gz KGZNEAAAZDQDOF-HZPDHXFCSA-N 2 2 346.475 1.411 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)[C@H](C)CO1 ZINC000663850783 452578015 /nfs/dbraw/zinc/57/80/15/452578015.db2.gz KGZNEAAAZDQDOF-HZPDHXFCSA-N 2 2 346.475 1.411 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000647849149 452582171 /nfs/dbraw/zinc/58/21/71/452582171.db2.gz JJCPSYXGISQTCG-UHFFFAOYSA-N 2 2 332.448 1.144 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000647849149 452582176 /nfs/dbraw/zinc/58/21/76/452582176.db2.gz JJCPSYXGISQTCG-UHFFFAOYSA-N 2 2 332.448 1.144 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000655830354 452601334 /nfs/dbraw/zinc/60/13/34/452601334.db2.gz UNDNDLBCUDOHFO-DJIMGWMZSA-N 2 2 325.460 1.925 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000655830354 452601340 /nfs/dbraw/zinc/60/13/40/452601340.db2.gz UNDNDLBCUDOHFO-DJIMGWMZSA-N 2 2 325.460 1.925 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CCCn3nccc32)C1=O ZINC000657969503 452647774 /nfs/dbraw/zinc/64/77/74/452647774.db2.gz BDQDCSGDGROTIW-UONOGXRCSA-N 2 2 328.420 1.232 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000647924070 452662411 /nfs/dbraw/zinc/66/24/11/452662411.db2.gz BYRLGAKNEYMJNL-UHFFFAOYSA-N 2 2 326.444 1.707 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000647926939 452663573 /nfs/dbraw/zinc/66/35/73/452663573.db2.gz SRFNEBHPXIMTIS-UHFFFAOYSA-N 2 2 325.840 1.648 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC[C@@H]1[NH3+] ZINC000647938581 452680398 /nfs/dbraw/zinc/68/03/98/452680398.db2.gz PZCWUOBCZNNRAV-WCVJEAGWSA-N 2 2 347.459 1.390 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC[C@@H]1[NH3+] ZINC000647938581 452680403 /nfs/dbraw/zinc/68/04/03/452680403.db2.gz PZCWUOBCZNNRAV-WCVJEAGWSA-N 2 2 347.459 1.390 20 0 EDADLP CN1C[C@@H]([N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949320 452695701 /nfs/dbraw/zinc/69/57/01/452695701.db2.gz JDGQAJKLUHHCPJ-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CN1C[C@@H]([N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949320 452695714 /nfs/dbraw/zinc/69/57/14/452695714.db2.gz JDGQAJKLUHHCPJ-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CN1C[C@@H]([NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949320 452695724 /nfs/dbraw/zinc/69/57/24/452695724.db2.gz JDGQAJKLUHHCPJ-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CN1C[C@@H]([NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949320 452695730 /nfs/dbraw/zinc/69/57/30/452695730.db2.gz JDGQAJKLUHHCPJ-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000647958368 452701686 /nfs/dbraw/zinc/70/16/86/452701686.db2.gz RKSCIDVFAAXOCC-IRXDYDNUSA-N 2 2 349.523 1.885 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000647958368 452701692 /nfs/dbraw/zinc/70/16/92/452701692.db2.gz RKSCIDVFAAXOCC-IRXDYDNUSA-N 2 2 349.523 1.885 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000647958368 452701701 /nfs/dbraw/zinc/70/17/01/452701701.db2.gz RKSCIDVFAAXOCC-IRXDYDNUSA-N 2 2 349.523 1.885 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000647958368 452701710 /nfs/dbraw/zinc/70/17/10/452701710.db2.gz RKSCIDVFAAXOCC-IRXDYDNUSA-N 2 2 349.523 1.885 20 0 EDADLP C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1[nH+]ccn1C ZINC000666241472 452711850 /nfs/dbraw/zinc/71/18/50/452711850.db2.gz LWCRJZYSELZPDW-NSHDSACASA-N 2 2 344.419 1.463 20 0 EDADLP CCc1nc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cs1 ZINC000664033861 452732927 /nfs/dbraw/zinc/73/29/27/452732927.db2.gz BGXHMBJFTAPJDQ-UHFFFAOYSA-N 2 2 327.498 1.388 20 0 EDADLP CCc1nc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000664033861 452732937 /nfs/dbraw/zinc/73/29/37/452732937.db2.gz BGXHMBJFTAPJDQ-UHFFFAOYSA-N 2 2 327.498 1.388 20 0 EDADLP Cc1noc(C)c1CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664035031 452734913 /nfs/dbraw/zinc/73/49/13/452734913.db2.gz SOIRLCPMOXCQEG-UHFFFAOYSA-N 2 2 325.457 1.017 20 0 EDADLP Cc1noc(C)c1CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664035031 452734918 /nfs/dbraw/zinc/73/49/18/452734918.db2.gz SOIRLCPMOXCQEG-UHFFFAOYSA-N 2 2 325.457 1.017 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648533 452737806 /nfs/dbraw/zinc/73/78/06/452737806.db2.gz CEXPOJNVFPROAY-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654648533 452737809 /nfs/dbraw/zinc/73/78/09/452737809.db2.gz CEXPOJNVFPROAY-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860673 452742421 /nfs/dbraw/zinc/74/24/21/452742421.db2.gz AYSQCQURTDGZSZ-GOSISDBHSA-N 3 2 327.513 1.122 20 0 EDADLP C[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653258 452758401 /nfs/dbraw/zinc/75/84/01/452758401.db2.gz YRIIYTUMHPDKMD-HRCADAONSA-N 2 2 337.468 1.412 20 0 EDADLP C[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654653258 452758412 /nfs/dbraw/zinc/75/84/12/452758412.db2.gz YRIIYTUMHPDKMD-HRCADAONSA-N 2 2 337.468 1.412 20 0 EDADLP C[NH+](C)C1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000666315257 452771538 /nfs/dbraw/zinc/77/15/38/452771538.db2.gz VQHCEVADFKBKQR-UHFFFAOYSA-N 2 2 334.439 1.158 20 0 EDADLP COc1ncncc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000648035810 452773809 /nfs/dbraw/zinc/77/38/09/452773809.db2.gz QTCRYZJTDMVRNI-SJPCQFCGSA-N 2 2 331.464 1.228 20 0 EDADLP COc1ncncc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000648035810 452773812 /nfs/dbraw/zinc/77/38/12/452773812.db2.gz QTCRYZJTDMVRNI-SJPCQFCGSA-N 2 2 331.464 1.228 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnnn1Cc1ccccc1)CCO2 ZINC000648071979 452799844 /nfs/dbraw/zinc/79/98/44/452799844.db2.gz FJYRTPPZFBRSLI-UHFFFAOYSA-N 2 2 341.459 1.623 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnnn1Cc1ccccc1)CCO2 ZINC000648071979 452799850 /nfs/dbraw/zinc/79/98/50/452799850.db2.gz FJYRTPPZFBRSLI-UHFFFAOYSA-N 2 2 341.459 1.623 20 0 EDADLP C1=C(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1 ZINC000645807148 452808894 /nfs/dbraw/zinc/80/88/94/452808894.db2.gz CWYFJBCJXMUTBX-UHFFFAOYSA-N 2 2 329.448 1.546 20 0 EDADLP COCC1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000654688963 452809777 /nfs/dbraw/zinc/80/97/77/452809777.db2.gz MKQWXRAWJDRPAL-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP COCC1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000654688963 452809782 /nfs/dbraw/zinc/80/97/82/452809782.db2.gz MKQWXRAWJDRPAL-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@H](C[NH+](C)C)C3)C2=O)cc1 ZINC000659924268 452817019 /nfs/dbraw/zinc/81/70/19/452817019.db2.gz DUPCSELZTMPOFW-AEFFLSMTSA-N 2 2 331.460 1.680 20 0 EDADLP COc1ccc(CN2CC[C@H]([N@H+]3CC[C@H](C[NH+](C)C)C3)C2=O)cc1 ZINC000659924268 452817027 /nfs/dbraw/zinc/81/70/27/452817027.db2.gz DUPCSELZTMPOFW-AEFFLSMTSA-N 2 2 331.460 1.680 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)cc2[nH+]1 ZINC000658265885 452819714 /nfs/dbraw/zinc/81/97/14/452819714.db2.gz VYHLHFHLXYUQEI-AWEZNQCLSA-N 2 2 343.431 1.570 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)cc2[nH+]1 ZINC000658265885 452819716 /nfs/dbraw/zinc/81/97/16/452819716.db2.gz VYHLHFHLXYUQEI-AWEZNQCLSA-N 2 2 343.431 1.570 20 0 EDADLP C[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)c1[nH+]ccn1C ZINC000662092996 452835624 /nfs/dbraw/zinc/83/56/24/452835624.db2.gz SSLXQMUPLZDKPO-HNNXBMFYSA-N 2 2 349.479 1.625 20 0 EDADLP COc1c(C)[nH+]cnc1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000656111894 452869353 /nfs/dbraw/zinc/86/93/53/452869353.db2.gz AKYWOKSKKVCUKW-UHFFFAOYSA-N 2 2 328.420 1.553 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000656113022 452872359 /nfs/dbraw/zinc/87/23/59/452872359.db2.gz MQZSJSDVQDIFOG-GOSISDBHSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000656113022 452872369 /nfs/dbraw/zinc/87/23/69/452872369.db2.gz MQZSJSDVQDIFOG-GOSISDBHSA-N 2 2 345.491 1.700 20 0 EDADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000666512868 452928438 /nfs/dbraw/zinc/92/84/38/452928438.db2.gz LGPORRJGVRQQBR-OAHLLOKOSA-N 2 2 332.448 1.085 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000666512868 452928445 /nfs/dbraw/zinc/92/84/45/452928445.db2.gz LGPORRJGVRQQBR-OAHLLOKOSA-N 2 2 332.448 1.085 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000658426745 452952639 /nfs/dbraw/zinc/95/26/39/452952639.db2.gz IWHKHHILQZBVIW-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000658426745 452952648 /nfs/dbraw/zinc/95/26/48/452952648.db2.gz IWHKHHILQZBVIW-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977869 452965514 /nfs/dbraw/zinc/96/55/14/452965514.db2.gz MGFANRHYIPRTNT-FUHWJXTLSA-N 3 2 348.466 1.153 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977869 452965524 /nfs/dbraw/zinc/96/55/24/452965524.db2.gz MGFANRHYIPRTNT-FUHWJXTLSA-N 3 2 348.466 1.153 20 0 EDADLP CN(C(=O)CCCC(=O)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310694 452993127 /nfs/dbraw/zinc/99/31/27/452993127.db2.gz AXRLLHNIOUAWAO-QGZVFWFLSA-N 2 2 335.492 1.763 20 0 EDADLP CN(C(=O)CCCC(=O)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310694 452993134 /nfs/dbraw/zinc/99/31/34/452993134.db2.gz AXRLLHNIOUAWAO-QGZVFWFLSA-N 2 2 335.492 1.763 20 0 EDADLP NC(=O)C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000656259885 452993726 /nfs/dbraw/zinc/99/37/26/452993726.db2.gz FFNHGMFZVNBXPE-MSOLQXFVSA-N 2 2 331.460 1.836 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnc2c(c1)COCC2 ZINC000666597459 452997872 /nfs/dbraw/zinc/99/78/72/452997872.db2.gz PMTUFQNHSRAPSD-UHFFFAOYSA-N 2 2 335.452 1.159 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnc2c(c1)COCC2 ZINC000666597459 452997874 /nfs/dbraw/zinc/99/78/74/452997874.db2.gz PMTUFQNHSRAPSD-UHFFFAOYSA-N 2 2 335.452 1.159 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC2=CCSC2)C1 ZINC000662269470 452998532 /nfs/dbraw/zinc/99/85/32/452998532.db2.gz HACGDPPKQDKECF-MRXNPFEDSA-N 2 2 341.521 1.064 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC2=CCSC2)C1 ZINC000662269470 452998541 /nfs/dbraw/zinc/99/85/41/452998541.db2.gz HACGDPPKQDKECF-MRXNPFEDSA-N 2 2 341.521 1.064 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC2=CCSC2)C1 ZINC000662269470 452998548 /nfs/dbraw/zinc/99/85/48/452998548.db2.gz HACGDPPKQDKECF-MRXNPFEDSA-N 2 2 341.521 1.064 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC2=CCSC2)C1 ZINC000662269470 452998557 /nfs/dbraw/zinc/99/85/57/452998557.db2.gz HACGDPPKQDKECF-MRXNPFEDSA-N 2 2 341.521 1.064 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@H]1CC[N@H+](CC)C1 ZINC000658469339 453006266 /nfs/dbraw/zinc/00/62/66/453006266.db2.gz ZXZVNDBHLDKNRZ-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@H]1CC[N@@H+](CC)C1 ZINC000658469339 453006273 /nfs/dbraw/zinc/00/62/73/453006273.db2.gz ZXZVNDBHLDKNRZ-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000664331101 453007159 /nfs/dbraw/zinc/00/71/59/453007159.db2.gz OXGLHLHKRHBARI-UHFFFAOYSA-N 2 2 349.479 1.393 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664331101 453007167 /nfs/dbraw/zinc/00/71/67/453007167.db2.gz OXGLHLHKRHBARI-UHFFFAOYSA-N 2 2 349.479 1.393 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)ccc2n1C ZINC000654887578 453008312 /nfs/dbraw/zinc/00/83/12/453008312.db2.gz KXSCSUSTPFMERX-XBXGTLAGSA-N 2 2 343.431 1.277 20 0 EDADLP OCC1([NH2+]Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC[NH2+]CC1 ZINC000662286502 453011578 /nfs/dbraw/zinc/01/15/78/453011578.db2.gz IVLIUQDBYKTXJL-UHFFFAOYSA-N 2 2 344.434 1.704 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C(C)(C)C1 ZINC000650832535 453039293 /nfs/dbraw/zinc/03/92/93/453039293.db2.gz KDZDILKWLJFWPY-UHFFFAOYSA-N 2 2 330.432 1.446 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C(C)(C)C1 ZINC000650832535 453039298 /nfs/dbraw/zinc/03/92/98/453039298.db2.gz KDZDILKWLJFWPY-UHFFFAOYSA-N 2 2 330.432 1.446 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1[nH]cc[nH+]1 ZINC000660143032 453074720 /nfs/dbraw/zinc/07/47/20/453074720.db2.gz PXBDBJRASQTSDM-NVXWUHKLSA-N 2 2 341.459 1.621 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1[nH]cc[nH+]1 ZINC000660143032 453074731 /nfs/dbraw/zinc/07/47/31/453074731.db2.gz PXBDBJRASQTSDM-NVXWUHKLSA-N 2 2 341.459 1.621 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@]4(CC4(F)F)C3)C2)CC1 ZINC000650876911 453076790 /nfs/dbraw/zinc/07/67/90/453076790.db2.gz JLCXYHWVDFTQAZ-XJKSGUPXSA-N 2 2 342.434 1.596 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@]4(CC4(F)F)C3)C2)CC1 ZINC000650876911 453076801 /nfs/dbraw/zinc/07/68/01/453076801.db2.gz JLCXYHWVDFTQAZ-XJKSGUPXSA-N 2 2 342.434 1.596 20 0 EDADLP CC12CC(C1)C[N@@H+]2CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000662380246 453090944 /nfs/dbraw/zinc/09/09/44/453090944.db2.gz GDOLNIZTUPXHST-UHFFFAOYSA-N 2 2 343.471 1.619 20 0 EDADLP CC12CC(C1)C[N@H+]2CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000662380246 453090954 /nfs/dbraw/zinc/09/09/54/453090954.db2.gz GDOLNIZTUPXHST-UHFFFAOYSA-N 2 2 343.471 1.619 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(Cn3cccn3)c2)[C@@H](C[NH3+])C1 ZINC000666764404 453129200 /nfs/dbraw/zinc/12/92/00/453129200.db2.gz CQYPQQHHYHVWNI-INIZCTEOSA-N 2 2 328.420 1.038 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(Cn3cccn3)c2)[C@@H](C[NH3+])C1 ZINC000666764404 453129207 /nfs/dbraw/zinc/12/92/07/453129207.db2.gz CQYPQQHHYHVWNI-INIZCTEOSA-N 2 2 328.420 1.038 20 0 EDADLP COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666818075 453165519 /nfs/dbraw/zinc/16/55/19/453165519.db2.gz DESYUXZQOIEUOE-DLBZAZTESA-N 2 2 348.491 1.734 20 0 EDADLP COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666818075 453165526 /nfs/dbraw/zinc/16/55/26/453165526.db2.gz DESYUXZQOIEUOE-DLBZAZTESA-N 2 2 348.491 1.734 20 0 EDADLP CN(Cc1cnn(CC(F)F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000646197110 453210602 /nfs/dbraw/zinc/21/06/02/453210602.db2.gz RYFAIPBTFDMPOS-MRXNPFEDSA-N 2 2 341.450 1.749 20 0 EDADLP CN(Cc1cnn(CC(F)F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000646197110 453210610 /nfs/dbraw/zinc/21/06/10/453210610.db2.gz RYFAIPBTFDMPOS-MRXNPFEDSA-N 2 2 341.450 1.749 20 0 EDADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000646221439 453231753 /nfs/dbraw/zinc/23/17/53/453231753.db2.gz HEXWIEIGPLJDRC-QGZVFWFLSA-N 2 2 328.416 1.118 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000653060780 453237339 /nfs/dbraw/zinc/23/73/39/453237339.db2.gz RJXUSHSQOPXYTC-INIZCTEOSA-N 2 2 347.459 1.966 20 0 EDADLP COc1ccc(OC)c([C@@H]2CCCN2C(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653061639 453238884 /nfs/dbraw/zinc/23/88/84/453238884.db2.gz XFVAIFMDDGHOLB-CVEARBPZSA-N 2 2 335.448 1.646 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000646234252 453245127 /nfs/dbraw/zinc/24/51/27/453245127.db2.gz FQWIJTXXMZPPOT-MRXNPFEDSA-N 2 2 329.448 1.969 20 0 EDADLP CC[C@H]1CN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CC[C@H]1[NH3+] ZINC000646234958 453247222 /nfs/dbraw/zinc/24/72/22/453247222.db2.gz WWHYYZWVCLSXAQ-GOEBONIOSA-N 2 2 329.448 1.954 20 0 EDADLP Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653072712 453251359 /nfs/dbraw/zinc/25/13/59/453251359.db2.gz CEIVQTIWDONUSC-SFHVURJKSA-N 2 2 343.475 1.509 20 0 EDADLP Cc1nc(N2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)cc[nH+]1 ZINC000662535414 453258645 /nfs/dbraw/zinc/25/86/45/453258645.db2.gz RDTWYDVQAITKOL-UHFFFAOYSA-N 2 2 343.456 1.455 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000653100724 453283721 /nfs/dbraw/zinc/28/37/21/453283721.db2.gz WSQKSSYEFDECPW-NSHDSACASA-N 2 2 335.782 1.837 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1 ZINC000648801382 453286692 /nfs/dbraw/zinc/28/66/92/453286692.db2.gz SRBGNSIUNNHKCY-IKGGRYGDSA-N 2 2 348.491 1.966 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000653109945 453296083 /nfs/dbraw/zinc/29/60/83/453296083.db2.gz SEUQHGKOVOIKMB-QGZVFWFLSA-N 3 2 332.492 1.219 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000653109945 453296087 /nfs/dbraw/zinc/29/60/87/453296087.db2.gz SEUQHGKOVOIKMB-QGZVFWFLSA-N 3 2 332.492 1.219 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000660426079 453297160 /nfs/dbraw/zinc/29/71/60/453297160.db2.gz BKPYYDODBPHTJG-GJZGRUSLSA-N 2 2 325.428 1.765 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000660426079 453297165 /nfs/dbraw/zinc/29/71/65/453297165.db2.gz BKPYYDODBPHTJG-GJZGRUSLSA-N 2 2 325.428 1.765 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000660426079 453297174 /nfs/dbraw/zinc/29/71/74/453297174.db2.gz BKPYYDODBPHTJG-GJZGRUSLSA-N 2 2 325.428 1.765 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000660426079 453297181 /nfs/dbraw/zinc/29/71/81/453297181.db2.gz BKPYYDODBPHTJG-GJZGRUSLSA-N 2 2 325.428 1.765 20 0 EDADLP c1nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000664678770 453314266 /nfs/dbraw/zinc/31/42/66/453314266.db2.gz MIHBUFUREULWPQ-INIZCTEOSA-N 2 2 331.464 1.847 20 0 EDADLP c1nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000664678770 453314275 /nfs/dbraw/zinc/31/42/75/453314275.db2.gz MIHBUFUREULWPQ-INIZCTEOSA-N 2 2 331.464 1.847 20 0 EDADLP c1nc(N2CCOCC2)cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000664678770 453314286 /nfs/dbraw/zinc/31/42/86/453314286.db2.gz MIHBUFUREULWPQ-INIZCTEOSA-N 2 2 331.464 1.847 20 0 EDADLP c1nc(N2CCOCC2)cc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000664678770 453314298 /nfs/dbraw/zinc/31/42/98/453314298.db2.gz MIHBUFUREULWPQ-INIZCTEOSA-N 2 2 331.464 1.847 20 0 EDADLP COCC1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC[NH2+]CC1 ZINC000662622315 453339697 /nfs/dbraw/zinc/33/96/97/453339697.db2.gz AXIZDYFXKCCEEL-UHFFFAOYSA-N 2 2 332.448 1.314 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000653152796 453340367 /nfs/dbraw/zinc/34/03/67/453340367.db2.gz ZHUHGKFBDBZODP-LSDHHAIUSA-N 2 2 325.840 1.519 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000653158510 453351079 /nfs/dbraw/zinc/35/10/79/453351079.db2.gz BTACPYGYGUARRN-JQWIXIFHSA-N 2 2 339.308 1.963 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000655243685 453364406 /nfs/dbraw/zinc/36/44/06/453364406.db2.gz LGHFLXAMMACLBP-SFHVURJKSA-N 2 2 346.475 1.148 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000655243685 453364415 /nfs/dbraw/zinc/36/44/15/453364415.db2.gz LGHFLXAMMACLBP-SFHVURJKSA-N 2 2 346.475 1.148 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCO1 ZINC000667060352 453375317 /nfs/dbraw/zinc/37/53/17/453375317.db2.gz OGULJNMQBUXHNR-WFASDCNBSA-N 2 2 329.404 1.667 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])n2)C1 ZINC000662662407 453375918 /nfs/dbraw/zinc/37/59/18/453375918.db2.gz FPIGNYKJBRVWBD-MRVWCRGKSA-N 2 2 338.477 1.677 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])n2)C1 ZINC000662662407 453375925 /nfs/dbraw/zinc/37/59/25/453375925.db2.gz FPIGNYKJBRVWBD-MRVWCRGKSA-N 2 2 338.477 1.677 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000662670706 453384925 /nfs/dbraw/zinc/38/49/25/453384925.db2.gz HJVITHFBOTVDEV-HSMVNMDESA-N 2 2 341.402 1.580 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@H](C)CO1 ZINC000664785538 453403375 /nfs/dbraw/zinc/40/33/75/453403375.db2.gz RMFVBLFMNBXYGH-OAGGEKHMSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@H](C)CO1 ZINC000664785538 453403383 /nfs/dbraw/zinc/40/33/83/453403383.db2.gz RMFVBLFMNBXYGH-OAGGEKHMSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@H](C)CO1 ZINC000664785538 453403388 /nfs/dbraw/zinc/40/33/88/453403388.db2.gz RMFVBLFMNBXYGH-OAGGEKHMSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@H](C)CO1 ZINC000664785538 453403397 /nfs/dbraw/zinc/40/33/97/453403397.db2.gz RMFVBLFMNBXYGH-OAGGEKHMSA-N 2 2 340.512 1.515 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCn1cc(Br)cn1 ZINC000660563463 453403818 /nfs/dbraw/zinc/40/38/18/453403818.db2.gz LYNTWPPOUHSBAI-ZDUSSCGKSA-N 2 2 333.274 1.279 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCn1cc(Br)cn1 ZINC000660563463 453403831 /nfs/dbraw/zinc/40/38/31/453403831.db2.gz LYNTWPPOUHSBAI-ZDUSSCGKSA-N 2 2 333.274 1.279 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCn1cc(Br)cn1 ZINC000660563463 453403841 /nfs/dbraw/zinc/40/38/41/453403841.db2.gz LYNTWPPOUHSBAI-ZDUSSCGKSA-N 2 2 333.274 1.279 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000660563463 453403851 /nfs/dbraw/zinc/40/38/51/453403851.db2.gz LYNTWPPOUHSBAI-ZDUSSCGKSA-N 2 2 333.274 1.279 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000646504134 453447550 /nfs/dbraw/zinc/44/75/50/453447550.db2.gz VSBAICRTBQXFGN-CZUORRHYSA-N 2 2 345.365 1.331 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)COCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000646504134 453447558 /nfs/dbraw/zinc/44/75/58/453447558.db2.gz VSBAICRTBQXFGN-CZUORRHYSA-N 2 2 345.365 1.331 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC[C@@H]([NH3+])C(C)C)CC2 ZINC000662729486 453455773 /nfs/dbraw/zinc/45/57/73/453455773.db2.gz RWJMFZQDDBGKFO-MRXNPFEDSA-N 2 2 349.475 1.552 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC[C@@H]([NH3+])C(C)C)CC2 ZINC000662729486 453455780 /nfs/dbraw/zinc/45/57/80/453455780.db2.gz RWJMFZQDDBGKFO-MRXNPFEDSA-N 2 2 349.475 1.552 20 0 EDADLP C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664916591 453480742 /nfs/dbraw/zinc/48/07/42/453480742.db2.gz PZHJRJBBPMZFAV-PBHICJAKSA-N 2 2 334.464 1.691 20 0 EDADLP C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664916591 453480749 /nfs/dbraw/zinc/48/07/49/453480749.db2.gz PZHJRJBBPMZFAV-PBHICJAKSA-N 2 2 334.464 1.691 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1(C)C ZINC000662760593 453498170 /nfs/dbraw/zinc/49/81/70/453498170.db2.gz XRHARAIQLBWYDF-OCCSQVGLSA-N 2 2 343.435 1.159 20 0 EDADLP CNS(=O)(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679951 453508315 /nfs/dbraw/zinc/50/83/15/453508315.db2.gz UVILWQOSMJTCMO-UHFFFAOYSA-N 2 2 325.478 1.180 20 0 EDADLP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1[nH+]ccn1C ZINC000667256075 453516235 /nfs/dbraw/zinc/51/62/35/453516235.db2.gz CYIYWLMAXPYRJL-AWEZNQCLSA-N 2 2 330.436 1.650 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000662792046 453527528 /nfs/dbraw/zinc/52/75/28/453527528.db2.gz URQFVQJPEIMNKA-YOEHRIQHSA-N 2 2 337.439 1.783 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446545 453533670 /nfs/dbraw/zinc/53/36/70/453533670.db2.gz FRVWZOPLBYTXQG-YLJYHZDGSA-N 2 2 343.471 1.729 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000655449810 453536417 /nfs/dbraw/zinc/53/64/17/453536417.db2.gz QATSTURDZITHML-MJGOQNOKSA-N 3 2 348.535 1.443 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000665046885 453552191 /nfs/dbraw/zinc/55/21/91/453552191.db2.gz XLKWUQACORSWFO-LSDHHAIUSA-N 2 2 337.468 1.716 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC000665076094 453566045 /nfs/dbraw/zinc/56/60/45/453566045.db2.gz BHKMBISDLXCQLM-OAHLLOKOSA-N 2 2 328.501 1.374 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC000665076094 453566050 /nfs/dbraw/zinc/56/60/50/453566050.db2.gz BHKMBISDLXCQLM-OAHLLOKOSA-N 2 2 328.501 1.374 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc([C@@H]3C[NH2+]CCO3)cc1)CC2 ZINC000659038261 453593858 /nfs/dbraw/zinc/59/38/58/453593858.db2.gz NZJWPACFZQAXRM-INIZCTEOSA-N 2 2 341.415 1.900 20 0 EDADLP [NH3+]C1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)Cc2ccccc2C1 ZINC000662912319 453599169 /nfs/dbraw/zinc/59/91/69/453599169.db2.gz YPUOTNHXTCTKEL-UHFFFAOYSA-N 2 2 343.471 1.054 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660855070 453611968 /nfs/dbraw/zinc/61/19/68/453611968.db2.gz JERBGRMGBFPVBW-HNNXBMFYSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660855070 453611975 /nfs/dbraw/zinc/61/19/75/453611975.db2.gz JERBGRMGBFPVBW-HNNXBMFYSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233386 453617250 /nfs/dbraw/zinc/61/72/50/453617250.db2.gz GOCFPXOQLIZWCU-NVXWUHKLSA-N 3 2 325.497 1.234 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659092305 453626391 /nfs/dbraw/zinc/62/63/91/453626391.db2.gz SSQRBUTUUHJXFM-AWEZNQCLSA-N 2 2 346.431 1.267 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665256092 453627251 /nfs/dbraw/zinc/62/72/51/453627251.db2.gz OGCUBMDKWMEHLX-CGTJXYLNSA-N 2 2 329.448 1.801 20 0 EDADLP Cc1c(F)cccc1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657070994 453660812 /nfs/dbraw/zinc/66/08/12/453660812.db2.gz DXIDUHCPFKCUKG-ZDUSSCGKSA-N 2 2 345.484 1.684 20 0 EDADLP Cc1c(F)cccc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657070994 453660814 /nfs/dbraw/zinc/66/08/14/453660814.db2.gz DXIDUHCPFKCUKG-ZDUSSCGKSA-N 2 2 345.484 1.684 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665366398 453669167 /nfs/dbraw/zinc/66/91/67/453669167.db2.gz YKEVZFWGDCRKBE-OAHLLOKOSA-N 2 2 348.495 1.120 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665366398 453669171 /nfs/dbraw/zinc/66/91/71/453669171.db2.gz YKEVZFWGDCRKBE-OAHLLOKOSA-N 2 2 348.495 1.120 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(F)cc1F ZINC000657092345 453676122 /nfs/dbraw/zinc/67/61/22/453676122.db2.gz UHXWGSQONBYWBB-UHFFFAOYSA-N 2 2 349.447 1.268 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc(F)cc1F ZINC000657092345 453676124 /nfs/dbraw/zinc/67/61/24/453676124.db2.gz UHXWGSQONBYWBB-UHFFFAOYSA-N 2 2 349.447 1.268 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000665462747 453701133 /nfs/dbraw/zinc/70/11/33/453701133.db2.gz ROWBROKQVJFLMX-WMLDXEAASA-N 2 2 328.416 1.671 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000665462747 453701138 /nfs/dbraw/zinc/70/11/38/453701138.db2.gz ROWBROKQVJFLMX-WMLDXEAASA-N 2 2 328.416 1.671 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659292994 453705213 /nfs/dbraw/zinc/70/52/13/453705213.db2.gz TWCJIQVEZFJJKH-UXLLHSPISA-N 2 2 349.475 1.987 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659292994 453705214 /nfs/dbraw/zinc/70/52/14/453705214.db2.gz TWCJIQVEZFJJKH-UXLLHSPISA-N 2 2 349.475 1.987 20 0 EDADLP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000659293570 453705662 /nfs/dbraw/zinc/70/56/62/453705662.db2.gz VPGPQKPJUSOXNN-PKOBYXMFSA-N 2 2 343.471 1.934 20 0 EDADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000659293569 453706037 /nfs/dbraw/zinc/70/60/37/453706037.db2.gz VPGPQKPJUSOXNN-MJGOQNOKSA-N 2 2 343.471 1.934 20 0 EDADLP Cc1c[nH]c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000657355164 453773388 /nfs/dbraw/zinc/77/33/88/453773388.db2.gz DJRYOLQUIJLERH-KRWDZBQOSA-N 2 2 341.459 1.705 20 0 EDADLP Cc1c[nH]c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000657355164 453773393 /nfs/dbraw/zinc/77/33/93/453773393.db2.gz DJRYOLQUIJLERH-KRWDZBQOSA-N 2 2 341.459 1.705 20 0 EDADLP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657362614 453774885 /nfs/dbraw/zinc/77/48/85/453774885.db2.gz FBUHFWUTZSJKPJ-QGZVFWFLSA-N 2 2 347.507 1.184 20 0 EDADLP Cc1c[nH]c(CNc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)[nH+]1 ZINC000657411680 453783065 /nfs/dbraw/zinc/78/30/65/453783065.db2.gz KXOGIRMBCXZINF-UHFFFAOYSA-N 2 2 327.432 1.647 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663415228 453792715 /nfs/dbraw/zinc/79/27/15/453792715.db2.gz BDCIEILAESAYPR-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663415228 453792716 /nfs/dbraw/zinc/79/27/16/453792716.db2.gz BDCIEILAESAYPR-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663415228 453792718 /nfs/dbraw/zinc/79/27/18/453792718.db2.gz BDCIEILAESAYPR-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663415228 453792720 /nfs/dbraw/zinc/79/27/20/453792720.db2.gz BDCIEILAESAYPR-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP Cc1cc(CO)cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)[nH+]1 ZINC000663423411 453793855 /nfs/dbraw/zinc/79/38/55/453793855.db2.gz VRJLRRAOTFKNSJ-UHFFFAOYSA-N 2 2 347.381 1.973 20 0 EDADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512948 453813432 /nfs/dbraw/zinc/81/34/32/453813432.db2.gz HXGBFEYGABJRSA-CVEARBPZSA-N 3 2 334.512 1.372 20 0 EDADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512948 453813434 /nfs/dbraw/zinc/81/34/34/453813434.db2.gz HXGBFEYGABJRSA-CVEARBPZSA-N 3 2 334.512 1.372 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)[nH+]c12 ZINC000676340865 486741241 /nfs/dbraw/zinc/74/12/41/486741241.db2.gz LRACDFWZQIWTFC-MRXNPFEDSA-N 2 2 328.416 1.118 20 0 EDADLP [NH3+][C@H]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416871411 486787600 /nfs/dbraw/zinc/78/76/00/486787600.db2.gz XTDLKVYZERJWEO-ROUUACIJSA-N 2 2 346.475 1.588 20 0 EDADLP Cn1c[nH+]cc1Cc1noc(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000680808133 486857954 /nfs/dbraw/zinc/85/79/54/486857954.db2.gz UAMWUWVNZNZHBH-UHFFFAOYSA-N 2 2 339.399 1.893 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnc4n3CCC4)CC2)CC1 ZINC000667688154 486914135 /nfs/dbraw/zinc/91/41/35/486914135.db2.gz HESJTLPJTLNYIB-UHFFFAOYSA-N 2 2 331.508 1.820 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000667822600 486982923 /nfs/dbraw/zinc/98/29/23/486982923.db2.gz NZQWCQHWKNTTQP-MJGOQNOKSA-N 3 2 330.476 1.751 20 0 EDADLP CN(C(=O)C(=O)c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684280217 487010881 /nfs/dbraw/zinc/01/08/81/487010881.db2.gz GUJHAKTXBZDQLO-KRWDZBQOSA-N 2 2 329.444 1.496 20 0 EDADLP CN(C(=O)C(=O)c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684280217 487010884 /nfs/dbraw/zinc/01/08/84/487010884.db2.gz GUJHAKTXBZDQLO-KRWDZBQOSA-N 2 2 329.444 1.496 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1nnc(-c2ccco2)o1 ZINC000677501006 487105169 /nfs/dbraw/zinc/10/51/69/487105169.db2.gz QDCRTOCATSTUHO-GFCCVEGCSA-N 2 2 342.359 1.802 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1nnc(-c2ccco2)o1 ZINC000677501006 487105174 /nfs/dbraw/zinc/10/51/74/487105174.db2.gz QDCRTOCATSTUHO-GFCCVEGCSA-N 2 2 342.359 1.802 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)[nH+]c12 ZINC000673777343 487111377 /nfs/dbraw/zinc/11/13/77/487111377.db2.gz QFEQZDKZRITRHD-HUUCEWRRSA-N 2 2 329.448 1.967 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c12 ZINC000673777343 487111382 /nfs/dbraw/zinc/11/13/82/487111382.db2.gz QFEQZDKZRITRHD-HUUCEWRRSA-N 2 2 329.448 1.967 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOc3ccccc3C2)CC1 ZINC000677579454 487123475 /nfs/dbraw/zinc/12/34/75/487123475.db2.gz PPMBQOHCUCWTRC-UHFFFAOYSA-N 2 2 346.475 1.617 20 0 EDADLP CN(CCOC(C)(C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000677579691 487123576 /nfs/dbraw/zinc/12/35/76/487123576.db2.gz ZONWPZIOZFKAPN-UHFFFAOYSA-N 2 2 328.501 1.469 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(NS(C)(=O)=O)c1 ZINC000681743266 487154643 /nfs/dbraw/zinc/15/46/43/487154643.db2.gz IQGZMAHEHPLPSN-GXTWGEPZSA-N 2 2 334.445 1.920 20 0 EDADLP CC(C)[C@H](C(=O)NCC12CCC[NH+]1CCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000684849906 487177793 /nfs/dbraw/zinc/17/77/93/487177793.db2.gz SUHKSFUOZYDHLD-BRWVUGGUSA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C ZINC000674287268 487228723 /nfs/dbraw/zinc/22/87/23/487228723.db2.gz IGMXINAOLDKLTK-IRXDYDNUSA-N 2 2 333.476 1.686 20 0 EDADLP COC1CC[NH+](CCNC(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000674317107 487235331 /nfs/dbraw/zinc/23/53/31/487235331.db2.gz QVVFRERTTFXWRR-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1=CCCOC1 ZINC000678124789 487252722 /nfs/dbraw/zinc/25/27/22/487252722.db2.gz ILAYDGCTGOAONM-UHFFFAOYSA-N 2 2 343.471 1.609 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC1=CCCOC1 ZINC000678124789 487252727 /nfs/dbraw/zinc/25/27/27/487252727.db2.gz ILAYDGCTGOAONM-UHFFFAOYSA-N 2 2 343.471 1.609 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)CC1 ZINC000685414379 487270202 /nfs/dbraw/zinc/27/02/02/487270202.db2.gz ZRILGTHTQZGPHN-AGIUHOORSA-N 2 2 339.402 1.076 20 0 EDADLP CC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000679102048 487392379 /nfs/dbraw/zinc/39/23/79/487392379.db2.gz SREQHPGVPGKXAA-HNNXBMFYSA-N 2 2 347.434 1.927 20 0 EDADLP CC(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000679102048 487392381 /nfs/dbraw/zinc/39/23/81/487392381.db2.gz SREQHPGVPGKXAA-HNNXBMFYSA-N 2 2 347.434 1.927 20 0 EDADLP CCN1OC[C@@H]([N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000682677878 487404476 /nfs/dbraw/zinc/40/44/76/487404476.db2.gz HAMYPJLHANUVTG-MRXNPFEDSA-N 2 2 332.448 1.782 20 0 EDADLP CCN1OC[C@@H]([N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000682677878 487404478 /nfs/dbraw/zinc/40/44/78/487404478.db2.gz HAMYPJLHANUVTG-MRXNPFEDSA-N 2 2 332.448 1.782 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000675782220 487443826 /nfs/dbraw/zinc/44/38/26/487443826.db2.gz OGYQZLYNGRZPQQ-OAHLLOKOSA-N 2 2 337.851 1.917 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)c(N2CCCC2)[nH+]1 ZINC000679699306 487458868 /nfs/dbraw/zinc/45/88/68/487458868.db2.gz AWACSQLVASZIDA-MRXNPFEDSA-N 2 2 345.491 1.242 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000679825900 487466585 /nfs/dbraw/zinc/46/65/85/487466585.db2.gz FYWSJXHJWFBZQS-MOPGFXCFSA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000679825900 487466586 /nfs/dbraw/zinc/46/65/86/487466586.db2.gz FYWSJXHJWFBZQS-MOPGFXCFSA-N 2 2 332.419 1.942 20 0 EDADLP C[NH2+]C[C@H]1CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000669512107 485477095 /nfs/dbraw/zinc/47/70/95/485477095.db2.gz WNZOPEWNSUPQLT-OAHLLOKOSA-N 2 2 329.448 1.826 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)[nH+]c12 ZINC000669511961 485477282 /nfs/dbraw/zinc/47/72/82/485477282.db2.gz PILDNBYXQZKNID-ARFHVFGLSA-N 2 2 341.459 1.873 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000669550315 485543311 /nfs/dbraw/zinc/54/33/11/485543311.db2.gz KSNWHPFVVUGOKO-GVDBMIGSSA-N 2 2 332.448 1.049 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000669550315 485543318 /nfs/dbraw/zinc/54/33/18/485543318.db2.gz KSNWHPFVVUGOKO-GVDBMIGSSA-N 2 2 332.448 1.049 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000669556292 485558834 /nfs/dbraw/zinc/55/88/34/485558834.db2.gz AGXAUGFIBVTCSM-FGEZKYSXSA-N 2 2 344.381 1.886 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000669556292 485558836 /nfs/dbraw/zinc/55/88/36/485558836.db2.gz AGXAUGFIBVTCSM-FGEZKYSXSA-N 2 2 344.381 1.886 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674871768 485689992 /nfs/dbraw/zinc/68/99/92/485689992.db2.gz DESWPDFMPBTFSG-OAHLLOKOSA-N 2 2 337.489 1.747 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000345751153 485980962 /nfs/dbraw/zinc/98/09/62/485980962.db2.gz DOYKVECYTJSNQH-CPUCHLNUSA-N 2 2 332.448 1.130 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000345751153 485980966 /nfs/dbraw/zinc/98/09/66/485980966.db2.gz DOYKVECYTJSNQH-CPUCHLNUSA-N 2 2 332.448 1.130 20 0 EDADLP CC1([NH3+])CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000669366363 486015007 /nfs/dbraw/zinc/01/50/07/486015007.db2.gz ZPZSXZFVZAJRMQ-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](C)C1 ZINC000668819014 486227007 /nfs/dbraw/zinc/22/70/07/486227007.db2.gz MLALUKCAWIAWFQ-YLFCFFPRSA-N 2 2 348.491 1.777 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](C)C1 ZINC000668819014 486227012 /nfs/dbraw/zinc/22/70/12/486227012.db2.gz MLALUKCAWIAWFQ-YLFCFFPRSA-N 2 2 348.491 1.777 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CC(C(F)(F)F)C3)C2)CC1 ZINC000672874758 486239422 /nfs/dbraw/zinc/23/94/22/486239422.db2.gz FTGIWDLVNXUFGI-OTTFEQOBSA-N 2 2 348.413 1.795 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CC(C(F)(F)F)C3)C2)CC1 ZINC000672874758 486239428 /nfs/dbraw/zinc/23/94/28/486239428.db2.gz FTGIWDLVNXUFGI-OTTFEQOBSA-N 2 2 348.413 1.795 20 0 EDADLP COc1ccc2[nH]cc(CCNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2c1 ZINC000669479128 486240170 /nfs/dbraw/zinc/24/01/70/486240170.db2.gz NHPSHUBELOFYOH-CQSZACIVSA-N 2 2 345.447 1.003 20 0 EDADLP COc1ccc2[nH]cc(CCNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2c1 ZINC000669479128 486240171 /nfs/dbraw/zinc/24/01/71/486240171.db2.gz NHPSHUBELOFYOH-CQSZACIVSA-N 2 2 345.447 1.003 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)CC1 ZINC000669934643 486519189 /nfs/dbraw/zinc/51/91/89/486519189.db2.gz WGSVZKUSCWCTQM-KRWDZBQOSA-N 2 2 345.491 1.590 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)CC1 ZINC000669934643 486519192 /nfs/dbraw/zinc/51/91/92/486519192.db2.gz WGSVZKUSCWCTQM-KRWDZBQOSA-N 2 2 345.491 1.590 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000120604725 490997897 /nfs/dbraw/zinc/99/78/97/490997897.db2.gz PMWOOOHAKOPPJN-CQSZACIVSA-N 2 2 343.435 1.240 20 0 EDADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1C ZINC000668467725 491174582 /nfs/dbraw/zinc/17/45/82/491174582.db2.gz RTAGPBRNQCNBMG-CALCHBBNSA-N 2 2 338.411 1.346 20 0 EDADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)n1C ZINC000668467725 491174584 /nfs/dbraw/zinc/17/45/84/491174584.db2.gz RTAGPBRNQCNBMG-CALCHBBNSA-N 2 2 338.411 1.346 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc[nH+]1 ZINC000129117339 534754068 /nfs/dbraw/zinc/75/40/68/534754068.db2.gz XLFVRVPKLDZDSV-QLFBSQMISA-N 2 2 331.464 1.695 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc[nH+]1 ZINC000129117339 534754074 /nfs/dbraw/zinc/75/40/74/534754074.db2.gz XLFVRVPKLDZDSV-QLFBSQMISA-N 2 2 331.464 1.695 20 0 EDADLP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000179534134 527731169 /nfs/dbraw/zinc/73/11/69/527731169.db2.gz DGSAGYJNBLSEIH-DOTOQJQBSA-N 2 2 344.459 1.615 20 0 EDADLP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000179534134 527731171 /nfs/dbraw/zinc/73/11/71/527731171.db2.gz DGSAGYJNBLSEIH-DOTOQJQBSA-N 2 2 344.459 1.615 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000173918523 527835426 /nfs/dbraw/zinc/83/54/26/527835426.db2.gz DICDETVYVKVAAT-OAHLLOKOSA-N 2 2 339.480 1.252 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000173918523 527835430 /nfs/dbraw/zinc/83/54/30/527835430.db2.gz DICDETVYVKVAAT-OAHLLOKOSA-N 2 2 339.480 1.252 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000173918523 527835432 /nfs/dbraw/zinc/83/54/32/527835432.db2.gz DICDETVYVKVAAT-OAHLLOKOSA-N 2 2 339.480 1.252 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2(C(=O)OC)CCCCC2)C1 ZINC000173918523 527835436 /nfs/dbraw/zinc/83/54/36/527835436.db2.gz DICDETVYVKVAAT-OAHLLOKOSA-N 2 2 339.480 1.252 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178096065 529117867 /nfs/dbraw/zinc/11/78/67/529117867.db2.gz KCXVSSSBYAUQJC-KRWDZBQOSA-N 2 2 330.432 1.744 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn4c(cccc4C)n3)C2)CC1 ZINC000171526583 529152473 /nfs/dbraw/zinc/15/24/73/529152473.db2.gz IGRIUULKTVDTRC-SFHVURJKSA-N 2 2 327.476 1.855 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn4c(cccc4C)n3)C2)CC1 ZINC000171526583 529152474 /nfs/dbraw/zinc/15/24/74/529152474.db2.gz IGRIUULKTVDTRC-SFHVURJKSA-N 2 2 327.476 1.855 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346222040 535270440 /nfs/dbraw/zinc/27/04/40/535270440.db2.gz LJFFREFYUGOIEF-WNRNVDISSA-N 2 2 337.508 1.676 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346222040 535270444 /nfs/dbraw/zinc/27/04/44/535270444.db2.gz LJFFREFYUGOIEF-WNRNVDISSA-N 2 2 337.508 1.676 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346222040 535270448 /nfs/dbraw/zinc/27/04/48/535270448.db2.gz LJFFREFYUGOIEF-WNRNVDISSA-N 2 2 337.508 1.676 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346222040 535270451 /nfs/dbraw/zinc/27/04/51/535270451.db2.gz LJFFREFYUGOIEF-WNRNVDISSA-N 2 2 337.508 1.676 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000346184668 535602703 /nfs/dbraw/zinc/60/27/03/535602703.db2.gz PKMVCRHDTNBYKI-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000346184668 535602707 /nfs/dbraw/zinc/60/27/07/535602707.db2.gz PKMVCRHDTNBYKI-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000346184668 535602709 /nfs/dbraw/zinc/60/27/09/535602709.db2.gz PKMVCRHDTNBYKI-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000346184668 535602712 /nfs/dbraw/zinc/60/27/12/535602712.db2.gz PKMVCRHDTNBYKI-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000118834973 535734089 /nfs/dbraw/zinc/73/40/89/535734089.db2.gz DMUCSVSYISZSOS-QGZVFWFLSA-N 2 2 334.508 1.003 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000118834973 535734094 /nfs/dbraw/zinc/73/40/94/535734094.db2.gz DMUCSVSYISZSOS-QGZVFWFLSA-N 2 2 334.508 1.003 20 0 EDADLP CC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1nccs1 ZINC000340251071 535793365 /nfs/dbraw/zinc/79/33/65/535793365.db2.gz MMTYRDYTPOYZDK-CQSZACIVSA-N 2 2 339.509 1.919 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4c(c3)CCN4)CC2)CC1 ZINC000133455172 536339504 /nfs/dbraw/zinc/33/95/04/536339504.db2.gz ULDZMSGSOUOIAK-UHFFFAOYSA-N 2 2 342.487 1.943 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332655863 536369392 /nfs/dbraw/zinc/36/93/92/536369392.db2.gz NIWMYZDDWCPKPX-CXAGYDPISA-N 2 2 325.453 1.003 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332655863 536369395 /nfs/dbraw/zinc/36/93/95/536369395.db2.gz NIWMYZDDWCPKPX-CXAGYDPISA-N 2 2 325.453 1.003 20 0 EDADLP C[NH2+][C@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)c1cnn(C)c1 ZINC000262430291 536379707 /nfs/dbraw/zinc/37/97/07/536379707.db2.gz SWEMYGMKWZRYQM-INIZCTEOSA-N 2 2 347.488 1.129 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000339425956 536380946 /nfs/dbraw/zinc/38/09/46/536380946.db2.gz IFVILBWSHHIAKW-YLJYHZDGSA-N 2 2 343.471 1.524 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000339425956 536380949 /nfs/dbraw/zinc/38/09/49/536380949.db2.gz IFVILBWSHHIAKW-YLJYHZDGSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000339425956 536380952 /nfs/dbraw/zinc/38/09/52/536380952.db2.gz IFVILBWSHHIAKW-YLJYHZDGSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000339425956 536380954 /nfs/dbraw/zinc/38/09/54/536380954.db2.gz IFVILBWSHHIAKW-YLJYHZDGSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH2+][C@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000262362551 536383181 /nfs/dbraw/zinc/38/31/81/536383181.db2.gz KPJBBFIJIRVEHI-KDOFPFPSSA-N 2 2 341.459 1.244 20 0 EDADLP C[NH2+][C@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000262362551 536383182 /nfs/dbraw/zinc/38/31/82/536383182.db2.gz KPJBBFIJIRVEHI-KDOFPFPSSA-N 2 2 341.459 1.244 20 0 EDADLP COC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000263226504 536673818 /nfs/dbraw/zinc/67/38/18/536673818.db2.gz GPZDRKXBEFYAKN-CYBMUJFWSA-N 2 2 346.456 1.614 20 0 EDADLP COC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000263226504 536673822 /nfs/dbraw/zinc/67/38/22/536673822.db2.gz GPZDRKXBEFYAKN-CYBMUJFWSA-N 2 2 346.456 1.614 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000270239886 536690294 /nfs/dbraw/zinc/69/02/94/536690294.db2.gz HNMMJYXOHIGRBN-INIZCTEOSA-N 2 2 346.475 1.527 20 0 EDADLP COc1cc2[nH+]c(N3CC[NH+](C(C)C)CC3)nc(N)c2cc1OC ZINC000248021754 536895465 /nfs/dbraw/zinc/89/54/65/536895465.db2.gz VALPNPDCDIOHGV-UHFFFAOYSA-N 2 2 331.420 1.760 20 0 EDADLP CC(C)n1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000742663411 579458662 /nfs/dbraw/zinc/45/86/62/579458662.db2.gz NQZVSFOANSQDIQ-GOSISDBHSA-N 2 2 347.507 1.633 20 0 EDADLP CC(C)n1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000742663411 579458664 /nfs/dbraw/zinc/45/86/64/579458664.db2.gz NQZVSFOANSQDIQ-GOSISDBHSA-N 2 2 347.507 1.633 20 0 EDADLP Cn1cc[nH+]c1C[C@H](NC(=S)NCC[NH+](C)C)c1ccccc1 ZINC000743021289 579468096 /nfs/dbraw/zinc/46/80/96/579468096.db2.gz GRPHNFURUXPASM-HNNXBMFYSA-N 2 2 331.489 1.730 20 0 EDADLP C[NH+]1CCC(O)(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000397499672 578303894 /nfs/dbraw/zinc/30/38/94/578303894.db2.gz VCZAJVFELYLJQU-AWEZNQCLSA-N 2 2 342.436 1.091 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093416777 578306242 /nfs/dbraw/zinc/30/62/42/578306242.db2.gz YOSMDIXXGPDPLT-HNNXBMFYSA-N 2 2 342.505 1.882 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093416777 578306243 /nfs/dbraw/zinc/30/62/43/578306243.db2.gz YOSMDIXXGPDPLT-HNNXBMFYSA-N 2 2 342.505 1.882 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000726072672 578332263 /nfs/dbraw/zinc/33/22/63/578332263.db2.gz VELZIQCGGJGXMU-HZPDHXFCSA-N 2 2 341.496 1.774 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000726072672 578332264 /nfs/dbraw/zinc/33/22/64/578332264.db2.gz VELZIQCGGJGXMU-HZPDHXFCSA-N 2 2 341.496 1.774 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCCC[C@H]2C)CCO1 ZINC000726258294 578339783 /nfs/dbraw/zinc/33/97/83/578339783.db2.gz WEBKXAJATIKMFG-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCCC[C@H]2C)CCO1 ZINC000726258294 578339785 /nfs/dbraw/zinc/33/97/85/578339785.db2.gz WEBKXAJATIKMFG-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000726258294 578339786 /nfs/dbraw/zinc/33/97/86/578339786.db2.gz WEBKXAJATIKMFG-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000726258294 578339787 /nfs/dbraw/zinc/33/97/87/578339787.db2.gz WEBKXAJATIKMFG-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3csc(C4CC4)n3)C2)CC1 ZINC000732779266 578727829 /nfs/dbraw/zinc/72/78/29/578727829.db2.gz CLHVSMDQOWDJJG-CYBMUJFWSA-N 2 2 334.489 1.919 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3csc(C4CC4)n3)C2)CC1 ZINC000732779266 578727831 /nfs/dbraw/zinc/72/78/31/578727831.db2.gz CLHVSMDQOWDJJG-CYBMUJFWSA-N 2 2 334.489 1.919 20 0 EDADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)n1 ZINC000732779280 578727951 /nfs/dbraw/zinc/72/79/51/578727951.db2.gz CVMYNPBNCUKWSX-ZDUSSCGKSA-N 2 2 336.867 1.942 20 0 EDADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)n1 ZINC000732779280 578727952 /nfs/dbraw/zinc/72/79/52/578727952.db2.gz CVMYNPBNCUKWSX-ZDUSSCGKSA-N 2 2 336.867 1.942 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3scnc3Cl)C2)CC1 ZINC000732780587 578728103 /nfs/dbraw/zinc/72/81/03/578728103.db2.gz LANUKAFKJRIFGT-SNVBAGLBSA-N 2 2 328.869 1.695 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3scnc3Cl)C2)CC1 ZINC000732780587 578728104 /nfs/dbraw/zinc/72/81/04/578728104.db2.gz LANUKAFKJRIFGT-SNVBAGLBSA-N 2 2 328.869 1.695 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000732805788 578730763 /nfs/dbraw/zinc/73/07/63/578730763.db2.gz ZPGXRPBJPZMCCY-CYBMUJFWSA-N 2 2 327.432 1.916 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000732805788 578730765 /nfs/dbraw/zinc/73/07/65/578730765.db2.gz ZPGXRPBJPZMCCY-CYBMUJFWSA-N 2 2 327.432 1.916 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000733870870 578786617 /nfs/dbraw/zinc/78/66/17/578786617.db2.gz ZUBFCFNCFUCMOB-KRWDZBQOSA-N 2 2 325.497 1.822 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000733870870 578786619 /nfs/dbraw/zinc/78/66/19/578786619.db2.gz ZUBFCFNCFUCMOB-KRWDZBQOSA-N 2 2 325.497 1.822 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCn1ccccc1=O ZINC000735054535 578856493 /nfs/dbraw/zinc/85/64/93/578856493.db2.gz RNCMCIPOLTZGKN-UHFFFAOYSA-N 2 2 348.491 1.113 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCn1ccccc1=O ZINC000735054535 578856495 /nfs/dbraw/zinc/85/64/95/578856495.db2.gz RNCMCIPOLTZGKN-UHFFFAOYSA-N 2 2 348.491 1.113 20 0 EDADLP CC1(C)CC(=O)N(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000738110852 579160707 /nfs/dbraw/zinc/16/07/07/579160707.db2.gz JUPNLXCTFFXOBF-UHFFFAOYSA-N 2 2 337.464 1.163 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000744425966 579510433 /nfs/dbraw/zinc/51/04/33/579510433.db2.gz DILVCEWBPJPACA-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000744425966 579510434 /nfs/dbraw/zinc/51/04/34/579510434.db2.gz DILVCEWBPJPACA-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP C[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000746307457 579586399 /nfs/dbraw/zinc/58/63/99/579586399.db2.gz NSCUYWTVCIZYOT-UHFFFAOYSA-N 2 2 331.338 1.449 20 0 EDADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(N)n3)CC2)n1 ZINC000750030949 579749221 /nfs/dbraw/zinc/74/92/21/579749221.db2.gz INPZXWOLDRCWFA-GFCCVEGCSA-N 2 2 347.423 1.170 20 0 EDADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc(C)[nH+]c(N)n3)CC2)n1 ZINC000750030949 579749223 /nfs/dbraw/zinc/74/92/23/579749223.db2.gz INPZXWOLDRCWFA-GFCCVEGCSA-N 2 2 347.423 1.170 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000751482481 579809596 /nfs/dbraw/zinc/80/95/96/579809596.db2.gz SMKBZNRFWCALPJ-UHFFFAOYSA-N 2 2 338.433 1.633 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754111389 579896874 /nfs/dbraw/zinc/89/68/74/579896874.db2.gz CJELQTVMHNRSPW-CYBMUJFWSA-N 2 2 339.509 1.289 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754111389 579896875 /nfs/dbraw/zinc/89/68/75/579896875.db2.gz CJELQTVMHNRSPW-CYBMUJFWSA-N 2 2 339.509 1.289 20 0 EDADLP C[C@H](C(=O)N(CCc1ccccc1)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000755072943 579919382 /nfs/dbraw/zinc/91/93/82/579919382.db2.gz DQTBNZIRHQUTLP-GOSISDBHSA-N 2 2 346.519 1.255 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000757643402 579969500 /nfs/dbraw/zinc/96/95/00/579969500.db2.gz RKHOXNDUPRZWSP-CQSZACIVSA-N 2 2 348.447 1.011 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC2CCC3(CC2)OCCO3)C1 ZINC000757643402 579969501 /nfs/dbraw/zinc/96/95/01/579969501.db2.gz RKHOXNDUPRZWSP-CQSZACIVSA-N 2 2 348.447 1.011 20 0 EDADLP C[C@H]1CC[N@H+](Cn2nc3c(cc2=O)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000759156602 579999828 /nfs/dbraw/zinc/99/98/28/579999828.db2.gz GUSRGFAOFWLQBL-WMLDXEAASA-N 2 2 327.432 1.859 20 0 EDADLP C[C@H]1CC[N@@H+](Cn2nc3c(cc2=O)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000759156602 579999829 /nfs/dbraw/zinc/99/98/29/579999829.db2.gz GUSRGFAOFWLQBL-WMLDXEAASA-N 2 2 327.432 1.859 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@]2(CCOC2)CC1=O ZINC000762073867 580066288 /nfs/dbraw/zinc/06/62/88/580066288.db2.gz KQNWKENGDADACK-SFHVURJKSA-N 2 2 334.464 1.754 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@]2(CCOC2)CC1=O ZINC000762073867 580066289 /nfs/dbraw/zinc/06/62/89/580066289.db2.gz KQNWKENGDADACK-SFHVURJKSA-N 2 2 334.464 1.754 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)n1 ZINC000763984817 580109813 /nfs/dbraw/zinc/10/98/13/580109813.db2.gz ZGSOAPCGDZJZDS-AWEZNQCLSA-N 2 2 337.493 1.313 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)n1 ZINC000763984817 580109814 /nfs/dbraw/zinc/10/98/14/580109814.db2.gz ZGSOAPCGDZJZDS-AWEZNQCLSA-N 2 2 337.493 1.313 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000767120462 580182184 /nfs/dbraw/zinc/18/21/84/580182184.db2.gz VCVFIPLDQJYWEU-QZTJIDSGSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000767120462 580182185 /nfs/dbraw/zinc/18/21/85/580182185.db2.gz VCVFIPLDQJYWEU-QZTJIDSGSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@]1(C)CC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000767963666 580204245 /nfs/dbraw/zinc/20/42/45/580204245.db2.gz ARXFIAJSIQHMPQ-SFHVURJKSA-N 2 2 337.464 1.163 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769315687 580233436 /nfs/dbraw/zinc/23/34/36/580233436.db2.gz CUDCEDLUAKFKRE-UHFFFAOYSA-N 2 2 338.455 1.975 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000775208831 580385790 /nfs/dbraw/zinc/38/57/90/580385790.db2.gz KYIXJIFEUXCVKQ-AWEZNQCLSA-N 2 2 336.436 1.068 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000775208831 580385791 /nfs/dbraw/zinc/38/57/91/580385791.db2.gz KYIXJIFEUXCVKQ-AWEZNQCLSA-N 2 2 336.436 1.068 20 0 EDADLP C[C@H]1CCOCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000775570441 580393851 /nfs/dbraw/zinc/39/38/51/580393851.db2.gz MQBHOBCTLHCSLG-KRWDZBQOSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@H]1CCOCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000775570441 580393852 /nfs/dbraw/zinc/39/38/52/580393852.db2.gz MQBHOBCTLHCSLG-KRWDZBQOSA-N 2 2 331.460 1.442 20 0 EDADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000779562552 580489602 /nfs/dbraw/zinc/48/96/02/580489602.db2.gz KIMWTOJTSJIZKQ-HNNXBMFYSA-N 2 2 339.355 1.040 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)CCOCc2ccccc2)C1 ZINC000783992755 580610808 /nfs/dbraw/zinc/61/08/08/580610808.db2.gz ZXWAXAMKWZWFAV-QGZVFWFLSA-N 2 2 342.443 1.842 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)CCOCc2ccccc2)C1 ZINC000783992755 580610809 /nfs/dbraw/zinc/61/08/09/580610809.db2.gz ZXWAXAMKWZWFAV-QGZVFWFLSA-N 2 2 342.443 1.842 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(N(C)C)[nH+]1 ZINC000785319948 580640273 /nfs/dbraw/zinc/64/02/73/580640273.db2.gz GKLVRZNJHMHZPL-ZDUSSCGKSA-N 2 2 345.447 1.161 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c(N(C)C)[nH+]1 ZINC000785319948 580640274 /nfs/dbraw/zinc/64/02/74/580640274.db2.gz GKLVRZNJHMHZPL-ZDUSSCGKSA-N 2 2 345.447 1.161 20 0 EDADLP C[NH+]1CCC(CNC(=S)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000788331922 580717489 /nfs/dbraw/zinc/71/74/89/580717489.db2.gz IITFYPOXEXPBOM-MRXNPFEDSA-N 2 2 334.489 1.751 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788972438 580733999 /nfs/dbraw/zinc/73/39/99/580733999.db2.gz VSMWAMHGXBZJIX-DJIMGWMZSA-N 2 2 346.431 1.108 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788972438 580734000 /nfs/dbraw/zinc/73/40/00/580734000.db2.gz VSMWAMHGXBZJIX-DJIMGWMZSA-N 2 2 346.431 1.108 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)C[NH+]1CCC2CC1 ZINC000790361974 580767548 /nfs/dbraw/zinc/76/75/48/580767548.db2.gz IAYMCKXSUAJXSZ-AEFFLSMTSA-N 3 2 345.447 1.394 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)C[NH+]1CCC2CC1 ZINC000790361974 580767549 /nfs/dbraw/zinc/76/75/49/580767549.db2.gz IAYMCKXSUAJXSZ-AEFFLSMTSA-N 3 2 345.447 1.394 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@@H](n3ccnc3)C1)C[NH+]1CCC2CC1 ZINC000790361974 580767550 /nfs/dbraw/zinc/76/75/50/580767550.db2.gz IAYMCKXSUAJXSZ-AEFFLSMTSA-N 2 2 345.447 1.394 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CCC[C@@H](n3ccnc3)C1)C[NH+]1CCC2CC1 ZINC000790361974 580767551 /nfs/dbraw/zinc/76/75/51/580767551.db2.gz IAYMCKXSUAJXSZ-AEFFLSMTSA-N 2 2 345.447 1.394 20 0 EDADLP COCC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H]1CC[C@@H](C)C1 ZINC000790481052 580771528 /nfs/dbraw/zinc/77/15/28/580771528.db2.gz WENFQIVBPDWPIU-OAGGEKHMSA-N 2 2 334.464 1.831 20 0 EDADLP COCC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H]1CC[C@@H](C)C1 ZINC000790481052 580771529 /nfs/dbraw/zinc/77/15/29/580771529.db2.gz WENFQIVBPDWPIU-OAGGEKHMSA-N 2 2 334.464 1.831 20 0 EDADLP CC[C@@H](C)CC[C@H](O)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000793615549 580849040 /nfs/dbraw/zinc/84/90/40/580849040.db2.gz NVCMAMRLMAMNET-WBVHZDCISA-N 2 2 327.513 1.706 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]2C1 ZINC000794950229 580908750 /nfs/dbraw/zinc/90/87/50/580908750.db2.gz WJIJGDMAXGLPAO-JKSUJKDBSA-N 2 2 338.496 1.175 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(CC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]2C1 ZINC000794950229 580908751 /nfs/dbraw/zinc/90/87/51/580908751.db2.gz WJIJGDMAXGLPAO-JKSUJKDBSA-N 2 2 338.496 1.175 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C(=O)N1c1cnn(C)c1 ZINC000796314550 580950718 /nfs/dbraw/zinc/95/07/18/580950718.db2.gz GNUWGLXRTQXOLT-FZMZJTMJSA-N 2 2 348.476 1.222 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000800175097 581046200 /nfs/dbraw/zinc/04/62/00/581046200.db2.gz ILDOAFIFZMLNTO-GDBMZVCRSA-N 2 2 328.453 1.044 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000800175097 581046201 /nfs/dbraw/zinc/04/62/01/581046201.db2.gz ILDOAFIFZMLNTO-GDBMZVCRSA-N 2 2 328.453 1.044 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000800986388 581063445 /nfs/dbraw/zinc/06/34/45/581063445.db2.gz BORFSGCKUMTLBB-VDERGJSUSA-N 2 2 339.480 1.287 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000800986388 581063446 /nfs/dbraw/zinc/06/34/46/581063446.db2.gz BORFSGCKUMTLBB-VDERGJSUSA-N 2 2 339.480 1.287 20 0 EDADLP C[NH+](C)CCOCCNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC000893100857 590660058 /nfs/dbraw/zinc/66/00/58/590660058.db2.gz ZFBSJVZOIBXURS-UHFFFAOYSA-N 2 2 344.394 1.945 20 0 EDADLP CN(C)c1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000893119979 590671638 /nfs/dbraw/zinc/67/16/38/590671638.db2.gz XONJWIZXCABSEG-MRXNPFEDSA-N 2 2 327.432 1.721 20 0 EDADLP CN(C)c1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000893119979 590671639 /nfs/dbraw/zinc/67/16/39/590671639.db2.gz XONJWIZXCABSEG-MRXNPFEDSA-N 2 2 327.432 1.721 20 0 EDADLP CN(C)c1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[nH+]cn1 ZINC000893119979 590671642 /nfs/dbraw/zinc/67/16/42/590671642.db2.gz XONJWIZXCABSEG-MRXNPFEDSA-N 2 2 327.432 1.721 20 0 EDADLP CN(C)c1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[nH+]cn1 ZINC000893119979 590671643 /nfs/dbraw/zinc/67/16/43/590671643.db2.gz XONJWIZXCABSEG-MRXNPFEDSA-N 2 2 327.432 1.721 20 0 EDADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000891928040 590692727 /nfs/dbraw/zinc/69/27/27/590692727.db2.gz QPVZTKFYYBUZFQ-JKSUJKDBSA-N 2 2 341.415 1.693 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c2[nH+]ccn21 ZINC000891939738 590697342 /nfs/dbraw/zinc/69/73/42/590697342.db2.gz NLZQHNHUQVPZKZ-MCIONIFRSA-N 2 2 333.436 1.347 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000892033318 590762111 /nfs/dbraw/zinc/76/21/11/590762111.db2.gz DJBWFKQIWMRVRJ-MRXNPFEDSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000892033318 590762114 /nfs/dbraw/zinc/76/21/14/590762114.db2.gz DJBWFKQIWMRVRJ-MRXNPFEDSA-N 2 2 334.464 1.232 20 0 EDADLP C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000892151778 590825687 /nfs/dbraw/zinc/82/56/87/590825687.db2.gz BKRVPWIQLCPJKE-QAPCUYQASA-N 2 2 331.508 1.367 20 0 EDADLP Cn1ncc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1C1CC1 ZINC000892175901 590846032 /nfs/dbraw/zinc/84/60/32/590846032.db2.gz QJLCEGWJTDQBHO-INIZCTEOSA-N 2 2 331.464 1.036 20 0 EDADLP CC(=O)NCC[N@H+](CC1CC[NH+](C)CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000893484177 590901723 /nfs/dbraw/zinc/90/17/23/590901723.db2.gz KHJYNKLNJNIESR-CQSZACIVSA-N 2 2 341.496 1.497 20 0 EDADLP CC(=O)NCC[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000893484177 590901725 /nfs/dbraw/zinc/90/17/25/590901725.db2.gz KHJYNKLNJNIESR-CQSZACIVSA-N 2 2 341.496 1.497 20 0 EDADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cn(Cc3ccccc3)nn2)C[C@H](C)O1 ZINC000892487369 591045354 /nfs/dbraw/zinc/04/53/54/591045354.db2.gz IQKAGXKRFQMIKV-IRXDYDNUSA-N 2 2 343.475 1.915 20 0 EDADLP CC(C)([NH3+])CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000891320483 591045442 /nfs/dbraw/zinc/04/54/42/591045442.db2.gz KYVZNDJBEPBUOT-CYBMUJFWSA-N 2 2 340.493 1.548 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893697848 591051167 /nfs/dbraw/zinc/05/11/67/591051167.db2.gz WYDOLUUFYYWJAQ-CVEARBPZSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893697848 591051171 /nfs/dbraw/zinc/05/11/71/591051171.db2.gz WYDOLUUFYYWJAQ-CVEARBPZSA-N 2 2 343.431 1.075 20 0 EDADLP [NH3+]C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892513985 591054355 /nfs/dbraw/zinc/05/43/55/591054355.db2.gz RCBVDLGMNXPQTQ-AWEZNQCLSA-N 2 2 335.477 1.125 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000891563920 591127628 /nfs/dbraw/zinc/12/76/28/591127628.db2.gz DXYWLCPKYQLAHW-JTNHKYCSSA-N 2 2 326.391 1.699 20 0 EDADLP Cc1ccnc(N)c1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000893980466 591154572 /nfs/dbraw/zinc/15/45/72/591154572.db2.gz MENDBFJTGNNJNR-IAGOWNOFSA-N 2 2 331.508 1.963 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c2c1OC(F)(F)O2 ZINC000893987689 591161140 /nfs/dbraw/zinc/16/11/40/591161140.db2.gz ZIEGNWHFBJQWBD-LLVKDONJSA-N 2 2 328.359 1.884 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@H+]2CC[C@@H](CO)C2)c2c1OC(F)(F)O2 ZINC000893987689 591161141 /nfs/dbraw/zinc/16/11/41/591161141.db2.gz ZIEGNWHFBJQWBD-LLVKDONJSA-N 2 2 328.359 1.884 20 0 EDADLP C[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894044428 591177004 /nfs/dbraw/zinc/17/70/04/591177004.db2.gz UWITYCIJQHIQHJ-ZBFHGGJFSA-N 2 2 341.496 1.990 20 0 EDADLP COc1ccc2[nH+]ccc(N(C)C[C@H](O)C[NH+]3CCOCC3)c2c1 ZINC000892857161 591205395 /nfs/dbraw/zinc/20/53/95/591205395.db2.gz SKNUGBARKVSTKB-AWEZNQCLSA-N 2 2 331.416 1.373 20 0 EDADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2I)C1 ZINC000894190409 591223146 /nfs/dbraw/zinc/22/31/46/591223146.db2.gz PFDRJWYNOQCOEJ-JTQLQIEISA-N 2 2 348.232 1.456 20 0 EDADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2I)C1 ZINC000894190409 591223149 /nfs/dbraw/zinc/22/31/49/591223149.db2.gz PFDRJWYNOQCOEJ-JTQLQIEISA-N 2 2 348.232 1.456 20 0 EDADLP COCc1nccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000892985566 591247150 /nfs/dbraw/zinc/24/71/50/591247150.db2.gz NDZILVDWYXFBDI-XYPWUTKMSA-N 2 2 331.464 1.370 20 0 EDADLP COCc1nccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000892985566 591247152 /nfs/dbraw/zinc/24/71/52/591247152.db2.gz NDZILVDWYXFBDI-XYPWUTKMSA-N 2 2 331.464 1.370 20 0 EDADLP C[C@]1(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCCS1 ZINC000895685271 591252748 /nfs/dbraw/zinc/25/27/48/591252748.db2.gz KYTKMNCGNOAHKQ-DLBZAZTESA-N 2 2 327.538 1.658 20 0 EDADLP COCCOc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000894453645 591314489 /nfs/dbraw/zinc/31/44/89/591314489.db2.gz IUMAGNABEJLNAL-UHFFFAOYSA-N 2 2 339.480 1.763 20 0 EDADLP COCCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000894453645 591314491 /nfs/dbraw/zinc/31/44/91/591314491.db2.gz IUMAGNABEJLNAL-UHFFFAOYSA-N 2 2 339.480 1.763 20 0 EDADLP COCCOc1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000894453645 591314493 /nfs/dbraw/zinc/31/44/93/591314493.db2.gz IUMAGNABEJLNAL-UHFFFAOYSA-N 2 2 339.480 1.763 20 0 EDADLP COCCOc1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000894453645 591314496 /nfs/dbraw/zinc/31/44/96/591314496.db2.gz IUMAGNABEJLNAL-UHFFFAOYSA-N 2 2 339.480 1.763 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000896042603 591330485 /nfs/dbraw/zinc/33/04/85/591330485.db2.gz JJLJXSSEVFUZGB-KBAYOESNSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000896042603 591330489 /nfs/dbraw/zinc/33/04/89/591330489.db2.gz JJLJXSSEVFUZGB-KBAYOESNSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000896042603 591330493 /nfs/dbraw/zinc/33/04/93/591330493.db2.gz JJLJXSSEVFUZGB-KBAYOESNSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000896042603 591330495 /nfs/dbraw/zinc/33/04/95/591330495.db2.gz JJLJXSSEVFUZGB-KBAYOESNSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000896079761 591341366 /nfs/dbraw/zinc/34/13/66/591341366.db2.gz OUAVVJYDTMMSNU-WBVHZDCISA-N 2 2 341.459 1.987 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000896079761 591341370 /nfs/dbraw/zinc/34/13/70/591341370.db2.gz OUAVVJYDTMMSNU-WBVHZDCISA-N 2 2 341.459 1.987 20 0 EDADLP O=C([C@H](C[NH2+]Cc1c[nH+]c[nH]1)Cc1cccc(F)c1)N1CCOCC1 ZINC000894596127 591362907 /nfs/dbraw/zinc/36/29/07/591362907.db2.gz UGPYLQSYYGFXBG-HNNXBMFYSA-N 2 2 346.406 1.356 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)nc[nH+]1 ZINC000894646745 591377675 /nfs/dbraw/zinc/37/76/75/591377675.db2.gz ZGVLCOCZAIFPOD-CABCVRRESA-N 2 2 337.468 1.206 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)[nH+]cn1 ZINC000894646745 591377680 /nfs/dbraw/zinc/37/76/80/591377680.db2.gz ZGVLCOCZAIFPOD-CABCVRRESA-N 2 2 337.468 1.206 20 0 EDADLP C[C@@H]1CCc2[nH]nc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000896324878 591418849 /nfs/dbraw/zinc/41/88/49/591418849.db2.gz KVTNBFVRAPBWGX-ZIAGYGMSSA-N 2 2 345.491 1.433 20 0 EDADLP C[C@@H]1CCc2[nH]nc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000896324878 591418852 /nfs/dbraw/zinc/41/88/52/591418852.db2.gz KVTNBFVRAPBWGX-ZIAGYGMSSA-N 2 2 345.491 1.433 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000896458935 591473501 /nfs/dbraw/zinc/47/35/01/591473501.db2.gz CLTMXSKXFQAENB-JKSUJKDBSA-N 2 2 329.448 1.670 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000896458935 591473502 /nfs/dbraw/zinc/47/35/02/591473502.db2.gz CLTMXSKXFQAENB-JKSUJKDBSA-N 2 2 329.448 1.670 20 0 EDADLP Cc1cc(N2CCC(O)(C[NH+](C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000894957358 591491712 /nfs/dbraw/zinc/49/17/12/591491712.db2.gz ZPWUVGTWEKUYEI-UHFFFAOYSA-N 2 2 327.432 1.740 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000896619016 591555203 /nfs/dbraw/zinc/55/52/03/591555203.db2.gz IJMWLEGMKQGCPB-SWLSCSKDSA-N 2 2 349.385 1.791 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000896619016 591555205 /nfs/dbraw/zinc/55/52/05/591555205.db2.gz IJMWLEGMKQGCPB-SWLSCSKDSA-N 2 2 349.385 1.791 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896714123 591591984 /nfs/dbraw/zinc/59/19/84/591591984.db2.gz LXNKXNDEHDPKEZ-UHFFFAOYSA-N 2 2 345.434 1.285 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896714123 591591986 /nfs/dbraw/zinc/59/19/86/591591986.db2.gz LXNKXNDEHDPKEZ-UHFFFAOYSA-N 2 2 345.434 1.285 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000898963015 591618028 /nfs/dbraw/zinc/61/80/28/591618028.db2.gz VRVCMCWRFFTYQN-KBPBESRZSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000898963015 591618031 /nfs/dbraw/zinc/61/80/31/591618031.db2.gz VRVCMCWRFFTYQN-KBPBESRZSA-N 2 2 345.447 1.239 20 0 EDADLP CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000897704014 591631930 /nfs/dbraw/zinc/63/19/30/591631930.db2.gz ULOUVKQKXVDETD-ZNMIVQPWSA-N 2 2 333.480 1.957 20 0 EDADLP CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1 ZINC000897704014 591631932 /nfs/dbraw/zinc/63/19/32/591631932.db2.gz ULOUVKQKXVDETD-ZNMIVQPWSA-N 2 2 333.480 1.957 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896987972 591705196 /nfs/dbraw/zinc/70/51/96/591705196.db2.gz HKCIOJHVEWOQDU-IRXDYDNUSA-N 3 2 336.524 1.486 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896987972 591705197 /nfs/dbraw/zinc/70/51/97/591705197.db2.gz HKCIOJHVEWOQDU-IRXDYDNUSA-N 3 2 336.524 1.486 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000896987972 591705199 /nfs/dbraw/zinc/70/51/99/591705199.db2.gz HKCIOJHVEWOQDU-IRXDYDNUSA-N 3 2 336.524 1.486 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000896987972 591705202 /nfs/dbraw/zinc/70/52/02/591705202.db2.gz HKCIOJHVEWOQDU-IRXDYDNUSA-N 3 2 336.524 1.486 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163799 591712154 /nfs/dbraw/zinc/71/21/54/591712154.db2.gz JQQIFLHDAJJYNF-PMPSAXMXSA-N 2 2 330.432 1.112 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163799 591712156 /nfs/dbraw/zinc/71/21/56/591712156.db2.gz JQQIFLHDAJJYNF-PMPSAXMXSA-N 2 2 330.432 1.112 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000897191560 591763198 /nfs/dbraw/zinc/76/31/98/591763198.db2.gz LDWYTOUFIBTDPU-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000897191560 591763199 /nfs/dbraw/zinc/76/31/99/591763199.db2.gz LDWYTOUFIBTDPU-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000895609081 591821795 /nfs/dbraw/zinc/82/17/95/591821795.db2.gz ZYHCLYULERKFKG-UHFFFAOYSA-N 2 2 326.400 1.922 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n[nH]1 ZINC000899969044 591849439 /nfs/dbraw/zinc/84/94/39/591849439.db2.gz JNKFRRKRIRIPAC-RHSMWYFYSA-N 2 2 347.463 1.113 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n[nH]1 ZINC000899969044 591849440 /nfs/dbraw/zinc/84/94/40/591849440.db2.gz JNKFRRKRIRIPAC-RHSMWYFYSA-N 2 2 347.463 1.113 20 0 EDADLP C/C(=C\C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000900020650 591871710 /nfs/dbraw/zinc/87/17/10/591871710.db2.gz FIMUMDWPAVMUCB-XEYRCQSKSA-N 2 2 343.471 1.656 20 0 EDADLP C/C(=C\C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000900020650 591871714 /nfs/dbraw/zinc/87/17/14/591871714.db2.gz FIMUMDWPAVMUCB-XEYRCQSKSA-N 2 2 343.471 1.656 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000898333041 591874958 /nfs/dbraw/zinc/87/49/58/591874958.db2.gz QZSAUHHPBPIBIU-RDJZCZTQSA-N 2 2 342.443 1.592 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@H+]1Cc1ccccc1 ZINC000898333041 591874961 /nfs/dbraw/zinc/87/49/61/591874961.db2.gz QZSAUHHPBPIBIU-RDJZCZTQSA-N 2 2 342.443 1.592 20 0 EDADLP O=C(NCc1ccccc1-c1[nH]cc[nH+]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000909636857 591876671 /nfs/dbraw/zinc/87/66/71/591876671.db2.gz CQINDYKVYLKJMM-OAHLLOKOSA-N 2 2 326.400 1.414 20 0 EDADLP CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000898356329 591888126 /nfs/dbraw/zinc/88/81/26/591888126.db2.gz OCVAFAMUDKWCJI-GDBMZVCRSA-N 2 2 348.447 1.089 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1(O)CCOCC1 ZINC000899875804 591969363 /nfs/dbraw/zinc/96/93/63/591969363.db2.gz IKOOWBJDFGYKTK-INIZCTEOSA-N 2 2 335.379 1.003 20 0 EDADLP Nc1ccc(Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000902325071 591979457 /nfs/dbraw/zinc/97/94/57/591979457.db2.gz JKICPHZYVZSNDU-UHFFFAOYSA-N 2 2 347.422 1.827 20 0 EDADLP Nc1ccc(Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000902325071 591979460 /nfs/dbraw/zinc/97/94/60/591979460.db2.gz JKICPHZYVZSNDU-UHFFFAOYSA-N 2 2 347.422 1.827 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000902363865 591986949 /nfs/dbraw/zinc/98/69/49/591986949.db2.gz NZQXYKFSFDUQOA-RTBURBONSA-N 3 2 331.504 1.773 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000902363865 591986950 /nfs/dbraw/zinc/98/69/50/591986950.db2.gz NZQXYKFSFDUQOA-RTBURBONSA-N 3 2 331.504 1.773 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000900367823 591998286 /nfs/dbraw/zinc/99/82/86/591998286.db2.gz VVWVOGZCNLEDML-UHFFFAOYSA-N 2 2 327.432 1.190 20 0 EDADLP C/C(=C/C(=O)Nc1cccc(OCC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000900457587 592023552 /nfs/dbraw/zinc/02/35/52/592023552.db2.gz ZISBRNJQOYNZSD-SSZFMOIBSA-N 2 2 347.459 1.844 20 0 EDADLP C[NH+](C)[C@H]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900550107 592045903 /nfs/dbraw/zinc/04/59/03/592045903.db2.gz QKORPPCKRVOACQ-KRWDZBQOSA-N 2 2 327.432 1.771 20 0 EDADLP C/C(=C\C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000900539655 592051095 /nfs/dbraw/zinc/05/10/95/592051095.db2.gz DRPVQMOUPVHYBL-UWXVCKHVSA-N 2 2 335.492 1.742 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cn(C)nn1 ZINC000902766239 592059585 /nfs/dbraw/zinc/05/95/85/592059585.db2.gz ZMBDGXCNXKECKD-HUUCEWRRSA-N 2 2 329.448 1.887 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cn(C)nn1 ZINC000902766239 592059588 /nfs/dbraw/zinc/05/95/88/592059588.db2.gz ZMBDGXCNXKECKD-HUUCEWRRSA-N 2 2 329.448 1.887 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902777133 592061253 /nfs/dbraw/zinc/06/12/53/592061253.db2.gz RURJLOZOODALKY-LLVKDONJSA-N 2 2 330.354 1.525 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900695139 592088472 /nfs/dbraw/zinc/08/84/72/592088472.db2.gz MBVWHMRLKNGKHM-QGZVFWFLSA-N 2 2 327.432 1.819 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900695139 592088475 /nfs/dbraw/zinc/08/84/75/592088475.db2.gz MBVWHMRLKNGKHM-QGZVFWFLSA-N 2 2 327.432 1.819 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1c(F)cccc1F ZINC000900722297 592104608 /nfs/dbraw/zinc/10/46/08/592104608.db2.gz IWFXWCXWMKPOQY-JDSLSITLSA-N 2 2 341.402 1.139 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1c(F)cccc1F ZINC000900722297 592104609 /nfs/dbraw/zinc/10/46/09/592104609.db2.gz IWFXWCXWMKPOQY-JDSLSITLSA-N 2 2 341.402 1.139 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000900788034 592123670 /nfs/dbraw/zinc/12/36/70/592123670.db2.gz TVQZGDPKAQKNRG-CVEARBPZSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000900788034 592123672 /nfs/dbraw/zinc/12/36/72/592123672.db2.gz TVQZGDPKAQKNRG-CVEARBPZSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000900788034 592123675 /nfs/dbraw/zinc/12/36/75/592123675.db2.gz TVQZGDPKAQKNRG-CVEARBPZSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000900788034 592123677 /nfs/dbraw/zinc/12/36/77/592123677.db2.gz TVQZGDPKAQKNRG-CVEARBPZSA-N 2 2 339.480 1.060 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)NCCN1CCc2ccccc21 ZINC000903470913 592175648 /nfs/dbraw/zinc/17/56/48/592175648.db2.gz PNJIZQCGIQYZFJ-KRWDZBQOSA-N 2 2 328.460 1.040 20 0 EDADLP COc1cc2c(cc1OC)C1(CCC1)[N@@H+](C[C@H]1C[NH2+]CCO1)CC2 ZINC000903564205 592211455 /nfs/dbraw/zinc/21/14/55/592211455.db2.gz QGZYRKPGCCNYOG-OAHLLOKOSA-N 2 2 332.444 1.930 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N(C)[C@@H]3CC[NH+](C4CC4)C3)co2)C1 ZINC000906650263 592234821 /nfs/dbraw/zinc/23/48/21/592234821.db2.gz GYFNDEDVAFTPGL-CABCVRRESA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N(C)[C@@H]3CC[NH+](C4CC4)C3)co2)C1 ZINC000906650263 592234823 /nfs/dbraw/zinc/23/48/23/592234823.db2.gz GYFNDEDVAFTPGL-CABCVRRESA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)co2)C1 ZINC000906650263 592234825 /nfs/dbraw/zinc/23/48/25/592234825.db2.gz GYFNDEDVAFTPGL-CABCVRRESA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)co2)C1 ZINC000906650263 592234828 /nfs/dbraw/zinc/23/48/28/592234828.db2.gz GYFNDEDVAFTPGL-CABCVRRESA-N 2 2 348.447 1.204 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000904368668 592238981 /nfs/dbraw/zinc/23/89/81/592238981.db2.gz LZNLBGFWWWDCGB-LJQANCHMSA-N 2 2 331.460 1.843 20 0 EDADLP CN(C(=O)c1cnn(C2CC2)c1N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906656828 592239210 /nfs/dbraw/zinc/23/92/10/592239210.db2.gz UDHXVWCCKKENEP-HNNXBMFYSA-N 2 2 346.479 1.041 20 0 EDADLP CN(C(=O)c1cnn(C2CC2)c1N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906656828 592239215 /nfs/dbraw/zinc/23/92/15/592239215.db2.gz UDHXVWCCKKENEP-HNNXBMFYSA-N 2 2 346.479 1.041 20 0 EDADLP CC(C)(C)c1cc2n(n1)CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000904389618 592242848 /nfs/dbraw/zinc/24/28/48/592242848.db2.gz PABXEYUQOGIWTQ-AWEZNQCLSA-N 2 2 333.480 1.194 20 0 EDADLP CC(C)(C)c1cc2n(n1)CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000904389618 592242853 /nfs/dbraw/zinc/24/28/53/592242853.db2.gz PABXEYUQOGIWTQ-AWEZNQCLSA-N 2 2 333.480 1.194 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420776 592258835 /nfs/dbraw/zinc/25/88/35/592258835.db2.gz DXSJJVXRPFUTBB-NWDGAFQWSA-N 2 2 332.370 1.711 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420776 592258840 /nfs/dbraw/zinc/25/88/40/592258840.db2.gz DXSJJVXRPFUTBB-NWDGAFQWSA-N 2 2 332.370 1.711 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)s1 ZINC000904449218 592264067 /nfs/dbraw/zinc/26/40/67/592264067.db2.gz JVSPRIGMZBLQKR-AWEZNQCLSA-N 3 2 347.488 1.630 20 0 EDADLP C/C(=C\C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000901203462 592285717 /nfs/dbraw/zinc/28/57/17/592285717.db2.gz QKHKEWQLKDUPSD-IYICPGQYSA-N 2 2 335.492 1.455 20 0 EDADLP c1ccc(OCC[NH+]2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903732793 592288443 /nfs/dbraw/zinc/28/84/43/592288443.db2.gz HOKYXYNFCXQTFO-VQTJNVASSA-N 2 2 345.487 1.452 20 0 EDADLP CCO[C@H]1C[NH2+][C@H](c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)C1 ZINC000904597066 592292539 /nfs/dbraw/zinc/29/25/39/592292539.db2.gz XTSRPOZIPIXFKG-OLZOCXBDSA-N 2 2 326.360 1.757 20 0 EDADLP O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903737394 592299917 /nfs/dbraw/zinc/29/99/17/592299917.db2.gz SMPMDENEISIMOX-DVOMOZLQSA-N 2 2 336.461 1.315 20 0 EDADLP O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903737394 592299921 /nfs/dbraw/zinc/29/99/21/592299921.db2.gz SMPMDENEISIMOX-DVOMOZLQSA-N 2 2 336.461 1.315 20 0 EDADLP [NH3+]Cc1nc(Cc2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cs1 ZINC000904644733 592303479 /nfs/dbraw/zinc/30/34/79/592303479.db2.gz QZDRMKBXVJANQZ-RYUDHWBXSA-N 2 2 335.433 1.501 20 0 EDADLP [NH3+]Cc1nc(Cc2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cs1 ZINC000904644733 592303484 /nfs/dbraw/zinc/30/34/84/592303484.db2.gz QZDRMKBXVJANQZ-RYUDHWBXSA-N 2 2 335.433 1.501 20 0 EDADLP Cc1cccc([C@H]2C(=O)NCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903765510 592309239 /nfs/dbraw/zinc/30/92/39/592309239.db2.gz IXEAHUTWGODVBY-ROUUACIJSA-N 2 2 343.471 1.627 20 0 EDADLP Cc1cccc([C@H]2C(=O)NCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903765510 592309245 /nfs/dbraw/zinc/30/92/45/592309245.db2.gz IXEAHUTWGODVBY-ROUUACIJSA-N 2 2 343.471 1.627 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000908102546 592319800 /nfs/dbraw/zinc/31/98/00/592319800.db2.gz LUEPMIFQZAJMGC-WMZOPIPTSA-N 2 2 328.416 1.483 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000901271845 592320213 /nfs/dbraw/zinc/32/02/13/592320213.db2.gz JIUVNAKPSYKTPM-HOTGVXAUSA-N 2 2 335.398 1.922 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000901271845 592320216 /nfs/dbraw/zinc/32/02/16/592320216.db2.gz JIUVNAKPSYKTPM-HOTGVXAUSA-N 2 2 335.398 1.922 20 0 EDADLP O=c1cc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)nc2ccccn12 ZINC000903816667 592325472 /nfs/dbraw/zinc/32/54/72/592325472.db2.gz ZLOVGQZTVRCCRL-UHFFFAOYSA-N 2 2 328.416 1.039 20 0 EDADLP O=c1cc(C[N@H+]2CC[NH2+]CCC23CCOCC3)nc2ccccn12 ZINC000903816667 592325474 /nfs/dbraw/zinc/32/54/74/592325474.db2.gz ZLOVGQZTVRCCRL-UHFFFAOYSA-N 2 2 328.416 1.039 20 0 EDADLP C/C(=C/C(=O)N1CC([N@H+](C)Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000908120831 592332719 /nfs/dbraw/zinc/33/27/19/592332719.db2.gz XHCRXYKFORCAGY-ATVHPVEESA-N 2 2 343.471 1.608 20 0 EDADLP C/C(=C/C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000908120831 592332722 /nfs/dbraw/zinc/33/27/22/592332722.db2.gz XHCRXYKFORCAGY-ATVHPVEESA-N 2 2 343.471 1.608 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000903843301 592343379 /nfs/dbraw/zinc/34/33/79/592343379.db2.gz IALKQUWRAIMMPF-BBWFWOEESA-N 3 2 348.516 1.204 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000903843301 592343383 /nfs/dbraw/zinc/34/33/83/592343383.db2.gz IALKQUWRAIMMPF-BBWFWOEESA-N 3 2 348.516 1.204 20 0 EDADLP CCCC(=O)N[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903889980 592352600 /nfs/dbraw/zinc/35/26/00/592352600.db2.gz WYAKONCWGLVIEC-LSDHHAIUSA-N 2 2 334.468 1.083 20 0 EDADLP CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903889980 592352603 /nfs/dbraw/zinc/35/26/03/592352603.db2.gz WYAKONCWGLVIEC-LSDHHAIUSA-N 2 2 334.468 1.083 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])CN2CC[NH+](Cc3ccncc3)CC2)cnn1C ZINC000903902630 592371323 /nfs/dbraw/zinc/37/13/23/592371323.db2.gz LETLPCODBMSHJK-SFHVURJKSA-N 2 2 342.491 1.059 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCN(Cc3ccncc3)CC2)cnn1C ZINC000903902630 592371325 /nfs/dbraw/zinc/37/13/25/592371325.db2.gz LETLPCODBMSHJK-SFHVURJKSA-N 2 2 342.491 1.059 20 0 EDADLP FC(F)(F)Cn1cc[nH+]c1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974589 592398736 /nfs/dbraw/zinc/39/87/36/592398736.db2.gz RHPBKRSUHOQWBE-GFCCVEGCSA-N 2 2 332.370 1.694 20 0 EDADLP CCCNC(=O)CCC[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901728417 592445891 /nfs/dbraw/zinc/44/58/91/592445891.db2.gz MTRBPDNIBGUTMV-NSHDSACASA-N 2 2 343.269 1.856 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(O)Cc2ccc(F)cc2)CC1 ZINC000904178094 592451654 /nfs/dbraw/zinc/45/16/54/592451654.db2.gz YSZFBAVMNMSAFR-UHFFFAOYSA-N 2 2 338.427 1.753 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(NCCn4cc[nH+]c4)cc3)[C@H]2C1 ZINC000908347771 592455109 /nfs/dbraw/zinc/45/51/09/592455109.db2.gz LQKYOGXCRALBDR-AEFFLSMTSA-N 2 2 339.443 1.771 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(NCCn4cc[nH+]c4)cc3)[C@H]2C1 ZINC000908347771 592455111 /nfs/dbraw/zinc/45/51/11/592455111.db2.gz LQKYOGXCRALBDR-AEFFLSMTSA-N 2 2 339.443 1.771 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cnn(CCF)c3)[nH+]c2)C1 ZINC000905412301 592524201 /nfs/dbraw/zinc/52/42/01/592524201.db2.gz TWDHFICKRSDHFK-MRXNPFEDSA-N 2 2 332.427 2.000 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000905603729 592575517 /nfs/dbraw/zinc/57/55/17/592575517.db2.gz GCFRXYLZZDXDFP-QGZVFWFLSA-N 2 2 346.475 1.656 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000905603729 592575519 /nfs/dbraw/zinc/57/55/19/592575519.db2.gz GCFRXYLZZDXDFP-QGZVFWFLSA-N 2 2 346.475 1.656 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC[C@H]3CNC(=O)C3)c2cc1C ZINC000905585647 592582379 /nfs/dbraw/zinc/58/23/79/592582379.db2.gz LEWKNQITXHPGIO-HUUCEWRRSA-N 2 2 330.432 1.130 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[NH2+]CCC23CCC3)nc[nH+]1 ZINC000905658346 592598988 /nfs/dbraw/zinc/59/89/88/592598988.db2.gz HEPAHGFLKJLQIG-OAHLLOKOSA-N 2 2 331.464 1.550 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@H]3C[NH2+]CCC3(F)F)[nH+]cn2)C1 ZINC000905676911 592608993 /nfs/dbraw/zinc/60/89/93/592608993.db2.gz FFUNPIKLXHQMEE-CHWSQXEVSA-N 2 2 341.406 1.342 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@H]3C[NH2+]CCC3(F)F)nc[nH+]2)C1 ZINC000905676911 592608994 /nfs/dbraw/zinc/60/89/94/592608994.db2.gz FFUNPIKLXHQMEE-CHWSQXEVSA-N 2 2 341.406 1.342 20 0 EDADLP CCn1c([C@H]2C[NH+](C)C[C@H](C)O2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000908831028 592635745 /nfs/dbraw/zinc/63/57/45/592635745.db2.gz MICGUONZFYMTMQ-UONOGXRCSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@H]2C[NH+](C)C[C@H](C)O2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000908831028 592635748 /nfs/dbraw/zinc/63/57/48/592635748.db2.gz MICGUONZFYMTMQ-UONOGXRCSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908831028 592635751 /nfs/dbraw/zinc/63/57/51/592635751.db2.gz MICGUONZFYMTMQ-UONOGXRCSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908831028 592635754 /nfs/dbraw/zinc/63/57/54/592635754.db2.gz MICGUONZFYMTMQ-UONOGXRCSA-N 2 2 336.484 1.220 20 0 EDADLP CC[NH+]1CCC(NC(=O)/C=C/c2cn(C)c[nH+]2)(C(F)(F)F)CC1 ZINC000905824879 592657442 /nfs/dbraw/zinc/65/74/42/592657442.db2.gz JLYNZLGCPYNPOX-SNAWJCMRSA-N 2 2 330.354 1.966 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C[C@@]1(O)CCOC1 ZINC000905878693 592678162 /nfs/dbraw/zinc/67/81/62/592678162.db2.gz YIXQPZGNNMWEFW-FHWLQOOXSA-N 2 2 334.460 1.316 20 0 EDADLP CC[C@@](O)(C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1)C(F)(F)F ZINC000905930943 592686648 /nfs/dbraw/zinc/68/66/48/592686648.db2.gz IQBITXWFNVGRCT-CQSZACIVSA-N 2 2 333.354 1.916 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)C1 ZINC000905937967 592689292 /nfs/dbraw/zinc/68/92/92/592689292.db2.gz NMFSSRMRDBSRRJ-SJORKVTESA-N 2 2 328.497 1.237 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)C1 ZINC000905937967 592689294 /nfs/dbraw/zinc/68/92/94/592689294.db2.gz NMFSSRMRDBSRRJ-SJORKVTESA-N 2 2 328.497 1.237 20 0 EDADLP OCC1(C[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000905909936 592691452 /nfs/dbraw/zinc/69/14/52/592691452.db2.gz OGLGEFBXXIMKAU-LJQANCHMSA-N 2 2 347.503 1.939 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCN1C ZINC000907563895 592711354 /nfs/dbraw/zinc/71/13/54/592711354.db2.gz KMPWXAMRVIFLHX-PMPSAXMXSA-N 2 2 331.464 1.252 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCN1C ZINC000907563895 592711355 /nfs/dbraw/zinc/71/13/55/592711355.db2.gz KMPWXAMRVIFLHX-PMPSAXMXSA-N 2 2 331.464 1.252 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)co2)C1 ZINC000906242029 592769579 /nfs/dbraw/zinc/76/95/79/592769579.db2.gz ZVXGSYBDSHFQNS-ZNMIVQPWSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)co2)C1 ZINC000906242029 592769582 /nfs/dbraw/zinc/76/95/82/592769582.db2.gz ZVXGSYBDSHFQNS-ZNMIVQPWSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)co2)C1 ZINC000906242029 592769584 /nfs/dbraw/zinc/76/95/84/592769584.db2.gz ZVXGSYBDSHFQNS-ZNMIVQPWSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)co2)C1 ZINC000906242029 592769586 /nfs/dbraw/zinc/76/95/86/592769586.db2.gz ZVXGSYBDSHFQNS-ZNMIVQPWSA-N 2 2 348.447 1.252 20 0 EDADLP C[C@@H]([NH2+]Cc1cn(Cc2ncon2)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000906293258 592783006 /nfs/dbraw/zinc/78/30/06/592783006.db2.gz NDBYBXSBLRGAGU-ZIAGYGMSSA-N 2 2 345.451 1.452 20 0 EDADLP C[C@@H]([NH2+]Cc1cn(Cc2ncon2)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000906293258 592783009 /nfs/dbraw/zinc/78/30/09/592783009.db2.gz NDBYBXSBLRGAGU-ZIAGYGMSSA-N 2 2 345.451 1.452 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000907838890 592809534 /nfs/dbraw/zinc/80/95/34/592809534.db2.gz JCSNEXCQNSHOAW-IYBDPMFKSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000907838890 592809537 /nfs/dbraw/zinc/80/95/37/592809537.db2.gz JCSNEXCQNSHOAW-IYBDPMFKSA-N 2 2 325.497 1.819 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000910597601 592879617 /nfs/dbraw/zinc/87/96/17/592879617.db2.gz RNXYOXGDBFOSLW-UHFFFAOYSA-N 2 2 349.479 1.093 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1ccc2c(n1)C[NH2+]CC2 ZINC000911642861 592965120 /nfs/dbraw/zinc/96/51/20/592965120.db2.gz OLBFJOXTAFTONR-UHFFFAOYSA-N 2 2 337.427 1.653 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C(C)(C)C1 ZINC000911913206 593036270 /nfs/dbraw/zinc/03/62/70/593036270.db2.gz ZHLULTPYGODDHL-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C(C)(C)C1 ZINC000911913206 593036271 /nfs/dbraw/zinc/03/62/71/593036271.db2.gz ZHLULTPYGODDHL-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP COCC[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C(C)(C)C1 ZINC000911913206 593036272 /nfs/dbraw/zinc/03/62/72/593036272.db2.gz ZHLULTPYGODDHL-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP COCC[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C(C)(C)C1 ZINC000911913206 593036273 /nfs/dbraw/zinc/03/62/73/593036273.db2.gz ZHLULTPYGODDHL-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)c1[nH+]c2c(cc1-c1nn[nH]n1)CCC2 ZINC000736854580 593042165 /nfs/dbraw/zinc/04/21/65/593042165.db2.gz DPBPFKFAXPQTTB-LBPRGKRZSA-N 2 2 327.436 1.528 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)c1[nH+]c2c(cc1-c1nn[nH]n1)CCC2 ZINC000736854580 593042167 /nfs/dbraw/zinc/04/21/67/593042167.db2.gz DPBPFKFAXPQTTB-LBPRGKRZSA-N 2 2 327.436 1.528 20 0 EDADLP Cc1ccc(CNC(=O)c2ccccc2NC(=O)C[NH2+]CC[NH3+])cc1 ZINC000911982521 593045191 /nfs/dbraw/zinc/04/51/91/593045191.db2.gz QTTJYIBIILFVLL-UHFFFAOYSA-N 2 2 340.427 1.412 20 0 EDADLP C[C@@H](NC(=O)c1ccccc1NC(=O)C[NH2+]CC[NH3+])c1ccccc1 ZINC000911991969 593046878 /nfs/dbraw/zinc/04/68/78/593046878.db2.gz JJVBZEZAWXQUMU-CQSZACIVSA-N 2 2 340.427 1.664 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000912304178 593085304 /nfs/dbraw/zinc/08/53/04/593085304.db2.gz KWKATJCDDMJOQW-SFHVURJKSA-N 2 2 332.448 1.145 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000912304178 593085305 /nfs/dbraw/zinc/08/53/05/593085305.db2.gz KWKATJCDDMJOQW-SFHVURJKSA-N 2 2 332.448 1.145 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CN3C[C@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085558 593152861 /nfs/dbraw/zinc/15/28/61/593152861.db2.gz FSMMDZRJYALZLH-VQIMIIECSA-N 2 2 328.460 1.773 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CN3C[C@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085558 593152863 /nfs/dbraw/zinc/15/28/63/593152863.db2.gz FSMMDZRJYALZLH-VQIMIIECSA-N 2 2 328.460 1.773 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CN3C[C@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085558 593152864 /nfs/dbraw/zinc/15/28/64/593152864.db2.gz FSMMDZRJYALZLH-VQIMIIECSA-N 2 2 328.460 1.773 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CN3C[C@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085558 593152866 /nfs/dbraw/zinc/15/28/66/593152866.db2.gz FSMMDZRJYALZLH-VQIMIIECSA-N 2 2 328.460 1.773 20 0 EDADLP CO[C@@H]1C[C@H]([N@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000840138759 593259477 /nfs/dbraw/zinc/25/94/77/593259477.db2.gz GFINDJZDHZTEKE-CWRNSKLLSA-N 2 2 332.448 1.583 20 0 EDADLP CO[C@@H]1C[C@H]([N@@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000840138759 593259478 /nfs/dbraw/zinc/25/94/78/593259478.db2.gz GFINDJZDHZTEKE-CWRNSKLLSA-N 2 2 332.448 1.583 20 0 EDADLP CCC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000802736693 593275086 /nfs/dbraw/zinc/27/50/86/593275086.db2.gz OMPVSDQMNQCYRT-UGSOOPFHSA-N 2 2 345.447 1.668 20 0 EDADLP CCC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000802736693 593275087 /nfs/dbraw/zinc/27/50/87/593275087.db2.gz OMPVSDQMNQCYRT-UGSOOPFHSA-N 2 2 345.447 1.668 20 0 EDADLP CCCCNc1cc(N2CCN(c3[nH+]ccn3C)CC2)nc(N)[nH+]1 ZINC000804465787 593417260 /nfs/dbraw/zinc/41/72/60/593417260.db2.gz HVMDUXWFVIPPIQ-UHFFFAOYSA-N 2 2 330.440 1.331 20 0 EDADLP CCCCNc1cc(N2CCN(c3[nH+]ccn3C)CC2)[nH+]c(N)n1 ZINC000804465787 593417261 /nfs/dbraw/zinc/41/72/61/593417261.db2.gz HVMDUXWFVIPPIQ-UHFFFAOYSA-N 2 2 330.440 1.331 20 0 EDADLP Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000806364334 593440433 /nfs/dbraw/zinc/44/04/33/593440433.db2.gz UUKBRODWQPZNHF-CABCVRRESA-N 2 2 347.463 1.783 20 0 EDADLP CC1(C)C(=O)N(C[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H]1[C@H]1CCCO1 ZINC000811730600 593477280 /nfs/dbraw/zinc/47/72/80/593477280.db2.gz VLNJSRFYWUQNRP-IAGOWNOFSA-N 2 2 344.459 1.577 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000811856781 593484508 /nfs/dbraw/zinc/48/45/08/593484508.db2.gz RNJOOIHXYUEHCQ-AWEZNQCLSA-N 2 2 330.436 1.795 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000811856781 593484509 /nfs/dbraw/zinc/48/45/09/593484509.db2.gz RNJOOIHXYUEHCQ-AWEZNQCLSA-N 2 2 330.436 1.795 20 0 EDADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000813326351 593526698 /nfs/dbraw/zinc/52/66/98/593526698.db2.gz STCRLJDWVUSUDN-XGXHKWSGSA-N 2 2 345.487 1.516 20 0 EDADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000813326351 593526699 /nfs/dbraw/zinc/52/66/99/593526699.db2.gz STCRLJDWVUSUDN-XGXHKWSGSA-N 2 2 345.487 1.516 20 0 EDADLP CCOC(=O)[C@@H](F)C1C[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000816635577 593536700 /nfs/dbraw/zinc/53/67/00/593536700.db2.gz PZVSHHGBZLMTNE-INIZCTEOSA-N 2 2 332.379 1.909 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000816750882 593547364 /nfs/dbraw/zinc/54/73/64/593547364.db2.gz USLQXHNLOMSDBU-JKSUJKDBSA-N 2 2 341.415 1.203 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000816750882 593547365 /nfs/dbraw/zinc/54/73/65/593547365.db2.gz USLQXHNLOMSDBU-JKSUJKDBSA-N 2 2 341.415 1.203 20 0 EDADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000816913777 593557544 /nfs/dbraw/zinc/55/75/44/593557544.db2.gz SSIBJDNPQYYRDG-CYBMUJFWSA-N 2 2 345.422 1.721 20 0 EDADLP C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000817892027 593645723 /nfs/dbraw/zinc/64/57/23/593645723.db2.gz IZIXGELXWBUXEA-ZBFHGGJFSA-N 2 2 325.478 1.226 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCc3ccnn3C)c2cc1C ZINC000819235221 593745955 /nfs/dbraw/zinc/74/59/55/593745955.db2.gz WSLDHLKTWIFVCY-MRXNPFEDSA-N 2 2 327.432 1.580 20 0 EDADLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576641 594041494 /nfs/dbraw/zinc/04/14/94/594041494.db2.gz BYDKUUZZJCUPOY-MLGOLLRUSA-N 2 2 332.477 1.955 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000822699310 594087402 /nfs/dbraw/zinc/08/74/02/594087402.db2.gz VMDAGQSGMVEFDI-UHFFFAOYSA-N 2 2 342.382 1.062 20 0 EDADLP CCc1nc2c(nccc2C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]1 ZINC000824958110 594104888 /nfs/dbraw/zinc/10/48/88/594104888.db2.gz ROOMZHHDUCRMOO-UHFFFAOYSA-N 2 2 332.452 1.134 20 0 EDADLP CCc1nc2c(nccc2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]1 ZINC000824958110 594104890 /nfs/dbraw/zinc/10/48/90/594104890.db2.gz ROOMZHHDUCRMOO-UHFFFAOYSA-N 2 2 332.452 1.134 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826159759 594354946 /nfs/dbraw/zinc/35/49/46/594354946.db2.gz QNRLYQLKHMMHMK-XJKSGUPXSA-N 2 2 330.436 1.628 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000826159759 594354947 /nfs/dbraw/zinc/35/49/47/594354947.db2.gz QNRLYQLKHMMHMK-XJKSGUPXSA-N 2 2 330.436 1.628 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826159736 594354981 /nfs/dbraw/zinc/35/49/81/594354981.db2.gz QBNWYUVYKMBEET-JSGCOSHPSA-N 2 2 348.426 1.767 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826159736 594354982 /nfs/dbraw/zinc/35/49/82/594354982.db2.gz QBNWYUVYKMBEET-JSGCOSHPSA-N 2 2 348.426 1.767 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000826551436 594523074 /nfs/dbraw/zinc/52/30/74/594523074.db2.gz MENFUSZIXIYSTJ-RTBURBONSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000826551436 594523076 /nfs/dbraw/zinc/52/30/76/594523076.db2.gz MENFUSZIXIYSTJ-RTBURBONSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC000826551436 594523080 /nfs/dbraw/zinc/52/30/80/594523080.db2.gz MENFUSZIXIYSTJ-RTBURBONSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC000826551436 594523083 /nfs/dbraw/zinc/52/30/83/594523083.db2.gz MENFUSZIXIYSTJ-RTBURBONSA-N 2 2 345.487 1.654 20 0 EDADLP CN(C(=O)[C@@H](O)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831162917 594572745 /nfs/dbraw/zinc/57/27/45/594572745.db2.gz AQWTZESRWPJCFQ-SQNIBIBYSA-N 2 2 337.508 1.553 20 0 EDADLP CN(C(=O)[C@@H](O)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831162917 594572747 /nfs/dbraw/zinc/57/27/47/594572747.db2.gz AQWTZESRWPJCFQ-SQNIBIBYSA-N 2 2 337.508 1.553 20 0 EDADLP CN(C(=O)[C@@H](O)C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831162914 594572765 /nfs/dbraw/zinc/57/27/65/594572765.db2.gz AQWTZESRWPJCFQ-KURKYZTESA-N 2 2 337.508 1.553 20 0 EDADLP CN(C(=O)[C@@H](O)C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831162914 594572767 /nfs/dbraw/zinc/57/27/67/594572767.db2.gz AQWTZESRWPJCFQ-KURKYZTESA-N 2 2 337.508 1.553 20 0 EDADLP CO[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1(C)C ZINC000831339451 594610493 /nfs/dbraw/zinc/61/04/93/594610493.db2.gz RUTBXKGQQJHZSF-CVEARBPZSA-N 2 2 335.448 1.327 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC1 ZINC000827242502 594655715 /nfs/dbraw/zinc/65/57/15/594655715.db2.gz AEBJCZMDRGIMJW-ZBFHGGJFSA-N 2 2 346.418 1.808 20 0 EDADLP C[C@@H](C(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000827462340 594674630 /nfs/dbraw/zinc/67/46/30/594674630.db2.gz MZQKMSOCRUKQQG-ZACQAIPSSA-N 2 2 336.524 1.486 20 0 EDADLP Cc1ccc(N2CC[C@H]([NH2+]Cc3c[nH+]c(N(C)C)n3C)C2=O)cc1 ZINC000840899641 594825528 /nfs/dbraw/zinc/82/55/28/594825528.db2.gz MROJNNZSZXQEIK-INIZCTEOSA-N 2 2 327.432 1.690 20 0 EDADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000841008710 594838460 /nfs/dbraw/zinc/83/84/60/594838460.db2.gz APCBVFLTDPIENV-HNNXBMFYSA-N 2 2 343.431 1.511 20 0 EDADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cnn(-c4ccccc4)n3)CC2)C1 ZINC000841104743 594851592 /nfs/dbraw/zinc/85/15/92/594851592.db2.gz ZSNNGLHHNSBMFA-APWZRJJASA-N 2 2 341.459 1.986 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000841672766 594933623 /nfs/dbraw/zinc/93/36/23/594933623.db2.gz QCDNGADOHKVRNA-MRXNPFEDSA-N 2 2 342.447 1.974 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000841837734 594961319 /nfs/dbraw/zinc/96/13/19/594961319.db2.gz GUXGLOMBWJLRQC-UHFFFAOYSA-N 2 2 331.464 1.336 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000841837734 594961322 /nfs/dbraw/zinc/96/13/22/594961322.db2.gz GUXGLOMBWJLRQC-UHFFFAOYSA-N 2 2 331.464 1.336 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000841838275 594961512 /nfs/dbraw/zinc/96/15/12/594961512.db2.gz VILGFAMMBOUNTG-SFHVURJKSA-N 2 2 345.491 1.758 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000841838275 594961513 /nfs/dbraw/zinc/96/15/13/594961513.db2.gz VILGFAMMBOUNTG-SFHVURJKSA-N 2 2 345.491 1.758 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1C ZINC000842147886 595023683 /nfs/dbraw/zinc/02/36/83/595023683.db2.gz IERKPMFCKLGHMH-HIFRSBDPSA-N 2 2 348.447 1.052 20 0 EDADLP COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845614227 595032374 /nfs/dbraw/zinc/03/23/74/595032374.db2.gz JDVVWKZLBMLQTF-KKUMJFAQSA-N 2 2 325.409 1.113 20 0 EDADLP COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845614227 595032377 /nfs/dbraw/zinc/03/23/77/595032377.db2.gz JDVVWKZLBMLQTF-KKUMJFAQSA-N 2 2 325.409 1.113 20 0 EDADLP C[NH+]1CCN(c2ccnc(-c3noc([C@H]([NH3+])CC(F)F)n3)c2)CC1 ZINC000843208759 595036933 /nfs/dbraw/zinc/03/69/33/595036933.db2.gz KYOONJPCJKQUQT-LLVKDONJSA-N 2 2 338.362 1.538 20 0 EDADLP CCC[C@@H](O)[C@@H](CO)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000842227203 595045154 /nfs/dbraw/zinc/04/51/54/595045154.db2.gz SGZUPZGCYWLHQE-RTBURBONSA-N 2 2 335.492 1.833 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843347065 595082344 /nfs/dbraw/zinc/08/23/44/595082344.db2.gz SJRIRBMSNABATI-RYUDHWBXSA-N 2 2 331.420 1.527 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843347065 595082348 /nfs/dbraw/zinc/08/23/48/595082348.db2.gz SJRIRBMSNABATI-RYUDHWBXSA-N 2 2 331.420 1.527 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843353884 595084323 /nfs/dbraw/zinc/08/43/23/595084323.db2.gz QAQPXLJNVOEZMY-HOCLYGCPSA-N 2 2 346.475 1.680 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000843353884 595084327 /nfs/dbraw/zinc/08/43/27/595084327.db2.gz QAQPXLJNVOEZMY-HOCLYGCPSA-N 2 2 346.475 1.680 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+](CCS(C)(=O)=O)C(C)C)cc1 ZINC000842476726 595115189 /nfs/dbraw/zinc/11/51/89/595115189.db2.gz UBBOFTUNIYVIIV-HNNXBMFYSA-N 2 2 328.478 1.493 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCS(C)(=O)=O)C(C)C)cc1 ZINC000842476726 595115190 /nfs/dbraw/zinc/11/51/90/595115190.db2.gz UBBOFTUNIYVIIV-HNNXBMFYSA-N 2 2 328.478 1.493 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[C@@H](c3[nH+]ccn3C)C1)CC2 ZINC000846017197 595123724 /nfs/dbraw/zinc/12/37/24/595123724.db2.gz DBDKLTGHOLNXPC-CABCVRRESA-N 2 2 327.432 1.894 20 0 EDADLP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000843495357 595130521 /nfs/dbraw/zinc/13/05/21/595130521.db2.gz MTTWOMKSOYTTLK-BBRMVZONSA-N 2 2 329.366 1.965 20 0 EDADLP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000843495357 595130523 /nfs/dbraw/zinc/13/05/23/595130523.db2.gz MTTWOMKSOYTTLK-BBRMVZONSA-N 2 2 329.366 1.965 20 0 EDADLP NC(=O)C1=NO[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842702305 595174486 /nfs/dbraw/zinc/17/44/86/595174486.db2.gz KAAHZDIJRYJFLM-CVEARBPZSA-N 2 2 342.443 1.403 20 0 EDADLP NC(=O)C1=NO[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842702305 595174489 /nfs/dbraw/zinc/17/44/89/595174489.db2.gz KAAHZDIJRYJFLM-CVEARBPZSA-N 2 2 342.443 1.403 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@@H]1C ZINC000844022721 595246990 /nfs/dbraw/zinc/24/69/90/595246990.db2.gz HWRJQDYUUZZJRC-GASCZTMLSA-N 2 2 334.464 1.324 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@@H]1C ZINC000844022721 595246995 /nfs/dbraw/zinc/24/69/95/595246995.db2.gz HWRJQDYUUZZJRC-GASCZTMLSA-N 2 2 334.464 1.324 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000843067938 595279698 /nfs/dbraw/zinc/27/96/98/595279698.db2.gz CPUSJQGLLZUHNX-MOPGFXCFSA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000843067938 595279699 /nfs/dbraw/zinc/27/96/99/595279699.db2.gz CPUSJQGLLZUHNX-MOPGFXCFSA-N 2 2 332.419 1.942 20 0 EDADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000844176558 595292933 /nfs/dbraw/zinc/29/29/33/595292933.db2.gz TVXRUMVHWUIJDQ-CQSZACIVSA-N 2 2 332.379 1.396 20 0 EDADLP Cc1ccc(N2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C)C2)cc1C ZINC000846673837 595297990 /nfs/dbraw/zinc/29/79/90/595297990.db2.gz SATWSGRCSSJPPF-WMZOPIPTSA-N 2 2 332.492 1.620 20 0 EDADLP c1cn(-c2ncccc2-c2noc(C[NH2+]C[C@@H]3CCCO3)n2)c[nH+]1 ZINC000843180604 595300575 /nfs/dbraw/zinc/30/05/75/595300575.db2.gz LQFXYRTTXPPNEW-LBPRGKRZSA-N 2 2 326.360 1.586 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc2)C[C@@H](C)O1 ZINC000844220197 595305599 /nfs/dbraw/zinc/30/55/99/595305599.db2.gz USOZRDRZIKJANO-HUUCEWRRSA-N 2 2 334.464 1.519 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc2)C[C@@H](C)O1 ZINC000844220197 595305600 /nfs/dbraw/zinc/30/56/00/595305600.db2.gz USOZRDRZIKJANO-HUUCEWRRSA-N 2 2 334.464 1.519 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000844224101 595307731 /nfs/dbraw/zinc/30/77/31/595307731.db2.gz DASOGGQTUGKLHJ-OAHLLOKOSA-N 2 2 347.507 1.542 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)Nc3cccnc3Cl)C2)nn1 ZINC000844225629 595308966 /nfs/dbraw/zinc/30/89/66/595308966.db2.gz DGXMNDNTYJZZGR-GFCCVEGCSA-N 2 2 349.826 1.061 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)nn1 ZINC000844225629 595308968 /nfs/dbraw/zinc/30/89/68/595308968.db2.gz DGXMNDNTYJZZGR-GFCCVEGCSA-N 2 2 349.826 1.061 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846825462 595322001 /nfs/dbraw/zinc/32/20/01/595322001.db2.gz VOSCGJPQXUQRIU-QAPCUYQASA-N 2 2 341.496 1.821 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846825462 595322003 /nfs/dbraw/zinc/32/20/03/595322003.db2.gz VOSCGJPQXUQRIU-QAPCUYQASA-N 2 2 341.496 1.821 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3C(=O)CC34CCCC4)CC2)CC1 ZINC000844709270 595380536 /nfs/dbraw/zinc/38/05/36/595380536.db2.gz YWTJMLOZFUZGIO-UHFFFAOYSA-N 2 2 348.535 1.981 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3C(=O)CC34CCCC4)CC2)CC1 ZINC000844709270 595380540 /nfs/dbraw/zinc/38/05/40/595380540.db2.gz YWTJMLOZFUZGIO-UHFFFAOYSA-N 2 2 348.535 1.981 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C(=O)CC34CCCC4)CC2)CC1 ZINC000844709270 595380542 /nfs/dbraw/zinc/38/05/42/595380542.db2.gz YWTJMLOZFUZGIO-UHFFFAOYSA-N 2 2 348.535 1.981 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C(=O)CC34CCCC4)CC2)CC1 ZINC000844709270 595380545 /nfs/dbraw/zinc/38/05/45/595380545.db2.gz YWTJMLOZFUZGIO-UHFFFAOYSA-N 2 2 348.535 1.981 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000844903165 595411141 /nfs/dbraw/zinc/41/11/41/595411141.db2.gz UCMDECDEKMESDG-DZKIICNBSA-N 3 2 338.521 1.923 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000844903165 595411143 /nfs/dbraw/zinc/41/11/43/595411143.db2.gz UCMDECDEKMESDG-DZKIICNBSA-N 3 2 338.521 1.923 20 0 EDADLP C/C(=C/c1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485501 595431594 /nfs/dbraw/zinc/43/15/94/595431594.db2.gz FRHBABGPCFTTGL-REZBVGGZSA-N 2 2 328.460 1.770 20 0 EDADLP C/C(=C/c1ccccn1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485501 595431596 /nfs/dbraw/zinc/43/15/96/595431596.db2.gz FRHBABGPCFTTGL-REZBVGGZSA-N 2 2 328.460 1.770 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000848884420 595462679 /nfs/dbraw/zinc/46/26/79/595462679.db2.gz LFPKESRYNJJXEO-XITLMJRVSA-N 2 2 347.459 1.678 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000848884420 595462681 /nfs/dbraw/zinc/46/26/81/595462681.db2.gz LFPKESRYNJJXEO-XITLMJRVSA-N 2 2 347.459 1.678 20 0 EDADLP Cc1ccc(CNC(=[NH2+])NCC2([NH+]3CCOCC3)CCOCC2)cc1 ZINC000849115658 595484165 /nfs/dbraw/zinc/48/41/65/595484165.db2.gz ASPNTXARLABDMO-UHFFFAOYSA-N 2 2 346.475 1.490 20 0 EDADLP Cc1cc(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)cc[nH+]1 ZINC000845491243 595506518 /nfs/dbraw/zinc/50/65/18/595506518.db2.gz INUMSTUGDDZIES-CQSZACIVSA-N 2 2 336.436 1.595 20 0 EDADLP O=S(=O)(CC[NH2+]C1CC[NH+](CC2CC2)CC1)CC(F)(F)F ZINC000850518278 595527332 /nfs/dbraw/zinc/52/73/32/595527332.db2.gz DENZSVIJEAOPNS-UHFFFAOYSA-N 2 2 328.400 1.428 20 0 EDADLP C[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000852761115 595531690 /nfs/dbraw/zinc/53/16/90/595531690.db2.gz QRSLWPCKVCJZMV-HUUCEWRRSA-N 2 2 329.485 1.942 20 0 EDADLP C[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)NC(=O)OC(C)(C)C ZINC000852761115 595531693 /nfs/dbraw/zinc/53/16/93/595531693.db2.gz QRSLWPCKVCJZMV-HUUCEWRRSA-N 2 2 329.485 1.942 20 0 EDADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccns1 ZINC000860052265 595558252 /nfs/dbraw/zinc/55/82/52/595558252.db2.gz VKUAYIBHZYTJHY-LBPRGKRZSA-N 2 2 326.466 1.021 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)[C@@H](c2cnn(C)c2)C1 ZINC000849529778 595559701 /nfs/dbraw/zinc/55/97/01/595559701.db2.gz JWDOEPZEZIRXRV-HUUCEWRRSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)[C@@H](c2cnn(C)c2)C1 ZINC000849529778 595559704 /nfs/dbraw/zinc/55/97/04/595559704.db2.gz JWDOEPZEZIRXRV-HUUCEWRRSA-N 2 2 330.436 1.274 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(Nc3cc(Cl)[nH]c(=O)n3)CC2)CC1 ZINC000858375265 595778914 /nfs/dbraw/zinc/77/89/14/595778914.db2.gz OCWGPOMXHQNGQG-UHFFFAOYSA-N 2 2 325.844 1.806 20 0 EDADLP Cc1cc(NCCNC(=O)NCc2c[nH+]cn2C)nc(C(C)C)[nH+]1 ZINC000858465235 595802367 /nfs/dbraw/zinc/80/23/67/595802367.db2.gz YXHSPCFRQKCRKQ-UHFFFAOYSA-N 2 2 331.424 1.553 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC([C@H]3CCCCO3)CC2)C1 ZINC000853573289 595809391 /nfs/dbraw/zinc/80/93/91/595809391.db2.gz WXROEJNDFDINJK-SJLPKXTDSA-N 2 2 346.475 1.975 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CC[S@](=O)CC(F)(F)F)s1 ZINC000850350946 595815095 /nfs/dbraw/zinc/81/50/95/595815095.db2.gz WNJQULGPBIVVND-FQEVSTJZSA-N 2 2 329.413 1.605 20 0 EDADLP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000850354179 595816886 /nfs/dbraw/zinc/81/68/86/595816886.db2.gz XDKJPYBELUMNAL-ZACQAIPSSA-N 2 2 330.432 1.923 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000850432535 595832852 /nfs/dbraw/zinc/83/28/52/595832852.db2.gz ZMESQKHQULURNP-GPANFISMSA-N 2 2 327.469 1.744 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000850432535 595832856 /nfs/dbraw/zinc/83/28/56/595832856.db2.gz ZMESQKHQULURNP-GPANFISMSA-N 2 2 327.469 1.744 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cn2nccc2-c2ccncc2)CCO1 ZINC000853624559 595836723 /nfs/dbraw/zinc/83/67/23/595836723.db2.gz JVHWCXOGBJWXCH-QGZVFWFLSA-N 2 2 329.448 1.945 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cn2nccc2-c2ccncc2)CCO1 ZINC000853624559 595836726 /nfs/dbraw/zinc/83/67/26/595836726.db2.gz JVHWCXOGBJWXCH-QGZVFWFLSA-N 2 2 329.448 1.945 20 0 EDADLP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000858601063 595839710 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Cn1cc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(Cl)n1 ZINC000856768897 596076701 /nfs/dbraw/zinc/07/67/01/596076701.db2.gz QDEFLHSIHYTXAI-UHFFFAOYSA-N 2 2 349.866 1.655 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)nc3)C2)nn1 ZINC000852751158 596237873 /nfs/dbraw/zinc/23/78/73/596237873.db2.gz RECKOBWSSNDXLR-CYBMUJFWSA-N 2 2 349.826 1.061 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)nc3)C2)nn1 ZINC000852751158 596237874 /nfs/dbraw/zinc/23/78/74/596237874.db2.gz RECKOBWSSNDXLR-CYBMUJFWSA-N 2 2 349.826 1.061 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)Cc3ccc[nH+]c3N2C1 ZINC000870537153 596275093 /nfs/dbraw/zinc/27/50/93/596275093.db2.gz SMDJAUCAWBLDNE-MWQQHZPXSA-N 2 2 344.459 1.358 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)Cc3ccc[nH+]c3N2C1 ZINC000870537153 596275095 /nfs/dbraw/zinc/27/50/95/596275095.db2.gz SMDJAUCAWBLDNE-MWQQHZPXSA-N 2 2 344.459 1.358 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC([NH+]2CCOCC2)CC1 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2 346.475 1.007 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000867998733 596649295 /nfs/dbraw/zinc/64/92/95/596649295.db2.gz ZQWHARNDYOELFE-QZTJIDSGSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000867998733 596649296 /nfs/dbraw/zinc/64/92/96/596649296.db2.gz ZQWHARNDYOELFE-QZTJIDSGSA-N 2 2 331.460 1.312 20 0 EDADLP C[C@@H]1CN(c2cc(NCc3ccccc3)[nH+]cn2)CC[N@@H+]1CCO ZINC000865690170 596652100 /nfs/dbraw/zinc/65/21/00/596652100.db2.gz WVHIGIVQQVQHEH-OAHLLOKOSA-N 2 2 327.432 1.592 20 0 EDADLP C[C@@H]1CN(c2cc(NCc3ccccc3)[nH+]cn2)CC[N@H+]1CCO ZINC000865690170 596652102 /nfs/dbraw/zinc/65/21/02/596652102.db2.gz WVHIGIVQQVQHEH-OAHLLOKOSA-N 2 2 327.432 1.592 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC[C@@H]21 ZINC000868023143 596658976 /nfs/dbraw/zinc/65/89/76/596658976.db2.gz CMXBEJYEEAMBDC-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC[C@@H]21 ZINC000868023143 596658981 /nfs/dbraw/zinc/65/89/81/596658981.db2.gz CMXBEJYEEAMBDC-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP CN(C(=O)C1CC2(CSC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728344 596661317 /nfs/dbraw/zinc/66/13/17/596661317.db2.gz UDRICAGJMMGLOK-MRXNPFEDSA-N 2 2 337.533 1.757 20 0 EDADLP CN(C(=O)C1CC2(CSC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728344 596661318 /nfs/dbraw/zinc/66/13/18/596661318.db2.gz UDRICAGJMMGLOK-MRXNPFEDSA-N 2 2 337.533 1.757 20 0 EDADLP C[NH+](C)C[C@H](N)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000871783270 596699908 /nfs/dbraw/zinc/69/99/08/596699908.db2.gz POXSTTAPJOFFEN-HNNXBMFYSA-N 2 2 331.420 1.130 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868234422 596739512 /nfs/dbraw/zinc/73/95/12/596739512.db2.gz QDGZQOZPHKBGOC-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868234422 596739514 /nfs/dbraw/zinc/73/95/14/596739514.db2.gz QDGZQOZPHKBGOC-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CCCNc1cc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)nc[nH+]1 ZINC000865965453 596740326 /nfs/dbraw/zinc/74/03/26/596740326.db2.gz NTDHFTFFIYMRBU-KRWDZBQOSA-N 2 2 335.452 1.326 20 0 EDADLP CCCNc1cc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)nc[nH+]1 ZINC000865965453 596740329 /nfs/dbraw/zinc/74/03/29/596740329.db2.gz NTDHFTFFIYMRBU-KRWDZBQOSA-N 2 2 335.452 1.326 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1)[NH+]1CCSCC1 ZINC000870085610 596742472 /nfs/dbraw/zinc/74/24/72/596742472.db2.gz NYTFJYUMDLRTIJ-CZUORRHYSA-N 2 2 335.473 1.302 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+][C@@H](c3ccc(O)cc3)C1)CC2 ZINC000870092736 596747013 /nfs/dbraw/zinc/74/70/13/596747013.db2.gz ZTGBKBFAZAIPBU-DOTOQJQBSA-N 2 2 340.427 1.633 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@H]3CCSC3)C2)CC1 ZINC000868288059 596768421 /nfs/dbraw/zinc/76/84/21/596768421.db2.gz WDCPRUZJAMNFCW-GJZGRUSLSA-N 2 2 340.537 1.597 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@H]3CCSC3)C2)CC1 ZINC000868288059 596768422 /nfs/dbraw/zinc/76/84/22/596768422.db2.gz WDCPRUZJAMNFCW-GJZGRUSLSA-N 2 2 340.537 1.597 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[NH2+]2)cc1 ZINC000870142429 596769179 /nfs/dbraw/zinc/76/91/79/596769179.db2.gz KDEYJCACCJRTCF-MAUKXSAKSA-N 2 2 340.427 1.627 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[NH2+]2)cc1 ZINC000870143401 596769606 /nfs/dbraw/zinc/76/96/06/596769606.db2.gz UZEVBKRYVUIOMV-SFHVURJKSA-N 2 2 331.460 1.900 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868354116 596797360 /nfs/dbraw/zinc/79/73/60/596797360.db2.gz MVVGQMNRYKUACZ-HNNXBMFYSA-N 2 2 331.464 1.917 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000866135820 596800680 /nfs/dbraw/zinc/80/06/80/596800680.db2.gz LGFTXNMAIRMSRJ-MTCRFPMVSA-N 2 2 343.471 1.608 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000866135820 596800681 /nfs/dbraw/zinc/80/06/81/596800681.db2.gz LGFTXNMAIRMSRJ-MTCRFPMVSA-N 2 2 343.471 1.608 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872146381 596810571 /nfs/dbraw/zinc/81/05/71/596810571.db2.gz MQOHTXASZCJDDQ-RTXFEEFZSA-N 2 2 345.321 1.665 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872146381 596810573 /nfs/dbraw/zinc/81/05/73/596810573.db2.gz MQOHTXASZCJDDQ-RTXFEEFZSA-N 2 2 345.321 1.665 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148506 596812137 /nfs/dbraw/zinc/81/21/37/596812137.db2.gz PSFIGKDTSLMPFS-KGLIPLIRSA-N 2 2 329.366 1.680 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872148506 596812139 /nfs/dbraw/zinc/81/21/39/596812139.db2.gz PSFIGKDTSLMPFS-KGLIPLIRSA-N 2 2 329.366 1.680 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154306 596814981 /nfs/dbraw/zinc/81/49/81/596814981.db2.gz VZKANYRSCRTDAB-MMMWYMCRSA-N 2 2 331.460 1.802 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154306 596814983 /nfs/dbraw/zinc/81/49/83/596814983.db2.gz VZKANYRSCRTDAB-MMMWYMCRSA-N 2 2 331.460 1.802 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@H]21 ZINC000866206624 596826746 /nfs/dbraw/zinc/82/67/46/596826746.db2.gz FABYXXQIXYWTBP-LSDHHAIUSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@H]21 ZINC000866206624 596826748 /nfs/dbraw/zinc/82/67/48/596826748.db2.gz FABYXXQIXYWTBP-LSDHHAIUSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@H]21 ZINC000866206624 596826751 /nfs/dbraw/zinc/82/67/51/596826751.db2.gz FABYXXQIXYWTBP-LSDHHAIUSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@H]21 ZINC000866206624 596826754 /nfs/dbraw/zinc/82/67/54/596826754.db2.gz FABYXXQIXYWTBP-LSDHHAIUSA-N 2 2 331.464 1.358 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)c1cc(NCC2CC2)[nH+]cn1 ZINC000866255895 596839287 /nfs/dbraw/zinc/83/92/87/596839287.db2.gz GNTVNYLCMBLTDN-UHFFFAOYSA-N 2 2 331.464 1.847 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC1 ZINC000868545865 596879016 /nfs/dbraw/zinc/87/90/16/596879016.db2.gz QUEFFNJOUPJYJO-KRWDZBQOSA-N 2 2 344.459 1.337 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000868545865 596879018 /nfs/dbraw/zinc/87/90/18/596879018.db2.gz QUEFFNJOUPJYJO-KRWDZBQOSA-N 2 2 344.459 1.337 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000868545865 596879021 /nfs/dbraw/zinc/87/90/21/596879021.db2.gz QUEFFNJOUPJYJO-KRWDZBQOSA-N 2 2 344.459 1.337 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccns1 ZINC000875897710 597025770 /nfs/dbraw/zinc/02/57/70/597025770.db2.gz WNWVTLNXNUIXGP-CYBMUJFWSA-N 2 2 339.509 1.872 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccns1 ZINC000875897710 597025776 /nfs/dbraw/zinc/02/57/76/597025776.db2.gz WNWVTLNXNUIXGP-CYBMUJFWSA-N 2 2 339.509 1.872 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000876205994 597135847 /nfs/dbraw/zinc/13/58/47/597135847.db2.gz ZBVTVYDDSFYWRK-DAYGRLMNSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000876205994 597135850 /nfs/dbraw/zinc/13/58/50/597135850.db2.gz ZBVTVYDDSFYWRK-DAYGRLMNSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000876205994 597135853 /nfs/dbraw/zinc/13/58/53/597135853.db2.gz ZBVTVYDDSFYWRK-DAYGRLMNSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000876205994 597135857 /nfs/dbraw/zinc/13/58/57/597135857.db2.gz ZBVTVYDDSFYWRK-DAYGRLMNSA-N 2 2 346.475 1.270 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000874706929 597151841 /nfs/dbraw/zinc/15/18/41/597151841.db2.gz BBQJYROAQHJZPP-IBGZPJMESA-N 2 2 345.487 1.662 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000874706929 597151842 /nfs/dbraw/zinc/15/18/42/597151842.db2.gz BBQJYROAQHJZPP-IBGZPJMESA-N 2 2 345.487 1.662 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000874706929 597151843 /nfs/dbraw/zinc/15/18/43/597151843.db2.gz BBQJYROAQHJZPP-IBGZPJMESA-N 2 2 345.487 1.662 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000874706929 597151844 /nfs/dbraw/zinc/15/18/44/597151844.db2.gz BBQJYROAQHJZPP-IBGZPJMESA-N 2 2 345.487 1.662 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ncc(Cl)s1 ZINC000876367199 597182241 /nfs/dbraw/zinc/18/22/41/597182241.db2.gz VLQGNLUAFWGTTC-UHFFFAOYSA-N 2 2 333.889 1.479 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ncc(Cl)s1 ZINC000876367199 597182244 /nfs/dbraw/zinc/18/22/44/597182244.db2.gz VLQGNLUAFWGTTC-UHFFFAOYSA-N 2 2 333.889 1.479 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000873222863 597231864 /nfs/dbraw/zinc/23/18/64/597231864.db2.gz DEQVQLAPVAYQQO-GOSISDBHSA-N 2 2 328.464 1.918 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000873222863 597231868 /nfs/dbraw/zinc/23/18/68/597231868.db2.gz DEQVQLAPVAYQQO-GOSISDBHSA-N 2 2 328.464 1.918 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H](Cc2cccnc2)C2CCCC2)[C@H](C[NH3+])C1 ZINC000876541869 597233407 /nfs/dbraw/zinc/23/34/07/597233407.db2.gz IDMXUXLRZRDKRB-QZTJIDSGSA-N 2 2 330.476 1.532 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H](Cc2cccnc2)C2CCCC2)[C@H](C[NH3+])C1 ZINC000876541869 597233408 /nfs/dbraw/zinc/23/34/08/597233408.db2.gz IDMXUXLRZRDKRB-QZTJIDSGSA-N 2 2 330.476 1.532 20 0 EDADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000873276534 597245546 /nfs/dbraw/zinc/24/55/46/597245546.db2.gz QBFQDSXIGNEUQV-WDEREUQCSA-N 2 2 348.232 1.774 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000875071649 597269880 /nfs/dbraw/zinc/26/98/80/597269880.db2.gz MJDWEMIPPBJUAR-OAHLLOKOSA-N 2 2 335.452 1.058 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000875071649 597269882 /nfs/dbraw/zinc/26/98/82/597269882.db2.gz MJDWEMIPPBJUAR-OAHLLOKOSA-N 2 2 335.452 1.058 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841995 597355449 /nfs/dbraw/zinc/35/54/49/597355449.db2.gz WLPJHMBASYLRTQ-JSGCOSHPSA-N 2 2 330.354 1.979 20 0 EDADLP CCOC1CC2(C[C@H]2NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000875428080 597424413 /nfs/dbraw/zinc/42/44/13/597424413.db2.gz BDPRRPNDGOPHDJ-UPTPFMHGSA-N 2 2 338.496 1.269 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000875545265 597472414 /nfs/dbraw/zinc/47/24/14/597472414.db2.gz RZRPFACSJVAHFJ-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000875545265 597472416 /nfs/dbraw/zinc/47/24/16/597472416.db2.gz RZRPFACSJVAHFJ-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000875545265 597472418 /nfs/dbraw/zinc/47/24/18/597472418.db2.gz RZRPFACSJVAHFJ-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000875545265 597472420 /nfs/dbraw/zinc/47/24/20/597472420.db2.gz RZRPFACSJVAHFJ-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP COCCC1(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC000877267808 597483650 /nfs/dbraw/zinc/48/36/50/597483650.db2.gz FVPZSLNWGWXACH-UHFFFAOYSA-N 2 2 342.443 1.820 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@@H]1C(F)(F)F ZINC000877358922 597500736 /nfs/dbraw/zinc/50/07/36/597500736.db2.gz GGWZENQHBAJTFI-NEPJUHHUSA-N 2 2 339.321 1.477 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000878286060 597592640 /nfs/dbraw/zinc/59/26/40/597592640.db2.gz JYGHUSSRMHIVSL-CRAIPNDOSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000878286060 597592641 /nfs/dbraw/zinc/59/26/41/597592641.db2.gz JYGHUSSRMHIVSL-CRAIPNDOSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000878286060 597592642 /nfs/dbraw/zinc/59/26/42/597592642.db2.gz JYGHUSSRMHIVSL-CRAIPNDOSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000878286060 597592643 /nfs/dbraw/zinc/59/26/43/597592643.db2.gz JYGHUSSRMHIVSL-CRAIPNDOSA-N 3 2 334.508 1.146 20 0 EDADLP CCS(=O)(=O)CCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879596843 597651285 /nfs/dbraw/zinc/65/12/85/597651285.db2.gz RWEXZJLOGXYAHP-UHFFFAOYSA-N 2 2 345.553 1.303 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000883159923 597672084 /nfs/dbraw/zinc/67/20/84/597672084.db2.gz AANIVCAUDYYTLI-KRWDZBQOSA-N 2 2 333.476 1.778 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCc2ccns2)[C@H]1C ZINC000994297420 696725983 /nfs/dbraw/zinc/72/59/83/696725983.db2.gz GHRCUKHVUSSVBL-ZFWWWQNUSA-N 2 2 347.488 1.929 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccns2)[C@H]1C ZINC000994297420 696725986 /nfs/dbraw/zinc/72/59/86/696725986.db2.gz GHRCUKHVUSSVBL-ZFWWWQNUSA-N 2 2 347.488 1.929 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000939857466 699996746 /nfs/dbraw/zinc/99/67/46/699996746.db2.gz TXCARPCOTKGWKO-MAUKXSAKSA-N 2 2 341.459 1.586 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000939858279 699997074 /nfs/dbraw/zinc/99/70/74/699997074.db2.gz XHFODLRNNDHZKF-WMLDXEAASA-N 2 2 342.447 1.053 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nccs3)[C@H]2C1 ZINC000992856668 695417006 /nfs/dbraw/zinc/41/70/06/695417006.db2.gz JODFJZRKGBZVFC-MELADBBJSA-N 2 2 345.472 1.826 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992860796 695419065 /nfs/dbraw/zinc/41/90/65/695419065.db2.gz OCZUVOBLTQQPFQ-NWANDNLSSA-N 2 2 329.404 1.357 20 0 EDADLP C[C@H]1C[C@@H](C[NH+]2CC(NC(=O)c3c[nH+]ccc3N(C)C)C2)CCO1 ZINC001031267823 696081924 /nfs/dbraw/zinc/08/19/24/696081924.db2.gz XAZTZXDXRFVPEO-KBPBESRZSA-N 2 2 332.448 1.377 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)nc2)[C@H]1C ZINC000993612699 696259134 /nfs/dbraw/zinc/25/91/34/696259134.db2.gz JLJHMXGBYHUWPB-WMLDXEAASA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)nc2)[C@H]1C ZINC000993612699 696259135 /nfs/dbraw/zinc/25/91/35/696259135.db2.gz JLJHMXGBYHUWPB-WMLDXEAASA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)[C@H]1C ZINC000993627252 696290882 /nfs/dbraw/zinc/29/08/82/696290882.db2.gz XNOSNLLWZQEZGV-DOTOQJQBSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)[C@H]1C ZINC000993627252 696290884 /nfs/dbraw/zinc/29/08/84/696290884.db2.gz XNOSNLLWZQEZGV-DOTOQJQBSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994214137 696585497 /nfs/dbraw/zinc/58/54/97/696585497.db2.gz WDESWXWCWOMXLC-CRAIPNDOSA-N 2 2 341.459 1.835 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994214137 696585498 /nfs/dbraw/zinc/58/54/98/696585498.db2.gz WDESWXWCWOMXLC-CRAIPNDOSA-N 2 2 341.459 1.835 20 0 EDADLP C[C@H](CNC(=O)NCc1nc(C[NH+](C)C)cs1)[N@H+](C)C1CC1 ZINC000916850714 696793732 /nfs/dbraw/zinc/79/37/32/696793732.db2.gz HRLNKTQLJKIWJA-LLVKDONJSA-N 2 2 325.482 1.487 20 0 EDADLP C[C@H](CNC(=O)NCc1nc(C[NH+](C)C)cs1)[N@@H+](C)C1CC1 ZINC000916850714 696793733 /nfs/dbraw/zinc/79/37/33/696793733.db2.gz HRLNKTQLJKIWJA-LLVKDONJSA-N 2 2 325.482 1.487 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000916857844 696799340 /nfs/dbraw/zinc/79/93/40/696799340.db2.gz DSVQAOGLZVQCGU-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CO[C@@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389276 697009805 /nfs/dbraw/zinc/00/98/05/697009805.db2.gz JQNZIOGBEJHCHW-SFHVURJKSA-N 2 2 331.460 1.140 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031418242 697068149 /nfs/dbraw/zinc/06/81/49/697068149.db2.gz JKCVCNRNUMZKNG-HNNXBMFYSA-N 2 2 345.434 1.333 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031418242 697068151 /nfs/dbraw/zinc/06/81/51/697068151.db2.gz JKCVCNRNUMZKNG-HNNXBMFYSA-N 2 2 345.434 1.333 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCc3ccc(C)cc3)C2)C1 ZINC001031417736 697068249 /nfs/dbraw/zinc/06/82/49/697068249.db2.gz AGBIPKJTCALFLH-LJQANCHMSA-N 2 2 345.487 1.449 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCc3ccc(C)cc3)C2)C1 ZINC001031417736 697068250 /nfs/dbraw/zinc/06/82/50/697068250.db2.gz AGBIPKJTCALFLH-LJQANCHMSA-N 2 2 345.487 1.449 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001031667010 697447885 /nfs/dbraw/zinc/44/78/85/697447885.db2.gz VIZVZZKTGURTQX-KRWDZBQOSA-N 2 2 346.475 1.511 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001031667010 697447886 /nfs/dbraw/zinc/44/78/86/697447886.db2.gz VIZVZZKTGURTQX-KRWDZBQOSA-N 2 2 346.475 1.511 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3ncc(C)o3)C2)CC[N@@H+]1C ZINC001031684482 697511014 /nfs/dbraw/zinc/51/10/14/697511014.db2.gz PPABRLMXDKANCB-CWRNSKLLSA-N 2 2 334.464 1.822 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3ncc(C)o3)C2)CC[N@H+]1C ZINC001031684482 697511016 /nfs/dbraw/zinc/51/10/16/697511016.db2.gz PPABRLMXDKANCB-CWRNSKLLSA-N 2 2 334.464 1.822 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921437673 697613126 /nfs/dbraw/zinc/61/31/26/697613126.db2.gz DJPKLKHCBWKWPD-ZDUSSCGKSA-N 2 2 339.509 1.878 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)O1 ZINC000940083681 700177934 /nfs/dbraw/zinc/17/79/34/700177934.db2.gz SBWYKUPBDMXQAE-CABCVRRESA-N 2 2 334.464 1.881 20 0 EDADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756433 698464393 /nfs/dbraw/zinc/46/43/93/698464393.db2.gz PIPMHKPRXGUMOT-WKILWMFISA-N 2 2 349.479 1.016 20 0 EDADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756433 698464396 /nfs/dbraw/zinc/46/43/96/698464396.db2.gz PIPMHKPRXGUMOT-WKILWMFISA-N 2 2 349.479 1.016 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995153654 701553193 /nfs/dbraw/zinc/55/31/93/701553193.db2.gz PYCNTQDRLVEPAS-JSGCOSHPSA-N 2 2 331.395 1.561 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)CC1 ZINC000943877663 698983429 /nfs/dbraw/zinc/98/34/29/698983429.db2.gz OQCQLAZLSUZCOC-RHSMWYFYSA-N 2 2 349.479 1.517 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)CC1 ZINC000943877663 698983431 /nfs/dbraw/zinc/98/34/31/698983431.db2.gz OQCQLAZLSUZCOC-RHSMWYFYSA-N 2 2 349.479 1.517 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000995156120 701559669 /nfs/dbraw/zinc/55/96/69/701559669.db2.gz VVPHJMOSCHVFPN-IRXDYDNUSA-N 2 2 342.443 1.519 20 0 EDADLP Cc1csc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000995157602 701564953 /nfs/dbraw/zinc/56/49/53/701564953.db2.gz ZMWRKPOADPNRDZ-QWHCGFSZSA-N 2 2 333.461 1.792 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)o1 ZINC000939054165 699114501 /nfs/dbraw/zinc/11/45/01/699114501.db2.gz FLBKGIBDDCZIOI-ZFWWWQNUSA-N 2 2 349.479 1.471 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)sc1C ZINC001031776275 699153587 /nfs/dbraw/zinc/15/35/87/699153587.db2.gz HMQQRAYGYWJGPC-OAHLLOKOSA-N 2 2 336.505 1.792 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)sc1C ZINC001031776275 699153589 /nfs/dbraw/zinc/15/35/89/699153589.db2.gz HMQQRAYGYWJGPC-OAHLLOKOSA-N 2 2 336.505 1.792 20 0 EDADLP CCOC1CC(C[NH+]2CC(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001031784501 699203023 /nfs/dbraw/zinc/20/30/23/699203023.db2.gz UCXSCDZENPJICH-ARWYELJZSA-N 2 2 346.475 1.309 20 0 EDADLP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784556 699203340 /nfs/dbraw/zinc/20/33/40/699203340.db2.gz VELONTIBBCXQLU-KRWDZBQOSA-N 2 2 328.460 1.994 20 0 EDADLP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001031782851 699205484 /nfs/dbraw/zinc/20/54/84/699205484.db2.gz OBCYWZHFEWBSKS-KRWDZBQOSA-N 2 2 328.460 1.994 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)n1 ZINC000939128869 699207996 /nfs/dbraw/zinc/20/79/96/699207996.db2.gz QXNIVRCLFXZDPW-OCCSQVGLSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)n1 ZINC000939128869 699207999 /nfs/dbraw/zinc/20/79/99/699207999.db2.gz QXNIVRCLFXZDPW-OCCSQVGLSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3cc(C[NH+](C)C)on3)C2)cs1 ZINC001031800281 699317007 /nfs/dbraw/zinc/31/70/07/699317007.db2.gz YWKSQBGYQDFYDQ-UHFFFAOYSA-N 2 2 348.472 1.968 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3C)C2)o1 ZINC001031799848 699330277 /nfs/dbraw/zinc/33/02/77/699330277.db2.gz HEWCAMVLMIAACW-UHFFFAOYSA-N 2 2 339.399 1.801 20 0 EDADLP COc1nscc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939208561 699354377 /nfs/dbraw/zinc/35/43/77/699354377.db2.gz DBCNJSNKUBTUFA-MFKMUULPSA-N 2 2 335.433 1.054 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000939210420 699357642 /nfs/dbraw/zinc/35/76/42/699357642.db2.gz OBMCSUVCUPJARU-WMLDXEAASA-N 2 2 341.459 1.655 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806550 699429308 /nfs/dbraw/zinc/42/93/08/699429308.db2.gz GLGKAIDXZWJFNM-SFHVURJKSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031806550 699429312 /nfs/dbraw/zinc/42/93/12/699429312.db2.gz GLGKAIDXZWJFNM-SFHVURJKSA-N 2 2 345.491 1.453 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000995162993 701593824 /nfs/dbraw/zinc/59/38/24/701593824.db2.gz UVOBCJRFCYGWQM-QWHCGFSZSA-N 2 2 333.461 1.494 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)co1 ZINC000995163169 701594984 /nfs/dbraw/zinc/59/49/84/701594984.db2.gz WAVUHSNZAMFCKP-ZIAGYGMSSA-N 2 2 331.420 1.334 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)o1 ZINC000939398887 699548084 /nfs/dbraw/zinc/54/80/84/699548084.db2.gz SOOXHDIGLZAFSB-DOTOQJQBSA-N 2 2 348.491 1.905 20 0 EDADLP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cs1 ZINC000939533759 699671758 /nfs/dbraw/zinc/67/17/58/699671758.db2.gz FCBIBSZMFOXBEG-MLGOLLRUSA-N 2 2 347.488 1.407 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)c1 ZINC000939536552 699677635 /nfs/dbraw/zinc/67/76/35/699677635.db2.gz WRRUQHZHZXCZHS-RDTXWAMCSA-N 2 2 342.443 1.608 20 0 EDADLP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939540076 699680532 /nfs/dbraw/zinc/68/05/32/699680532.db2.gz FPUPYIALGZLYKD-IUODEOHRSA-N 2 2 345.447 1.874 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939542033 699683022 /nfs/dbraw/zinc/68/30/22/699683022.db2.gz RKURNTFQVHKBED-RYUDHWBXSA-N 2 2 333.461 1.781 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000939543115 699684231 /nfs/dbraw/zinc/68/42/31/699684231.db2.gz ZRKPGQJJZHVAQC-SWLSCSKDSA-N 2 2 344.463 1.366 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC000069574349 699712348 /nfs/dbraw/zinc/71/23/48/699712348.db2.gz XKEHVAAAEAVRFW-INIZCTEOSA-N 2 2 335.496 1.362 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)ccn1 ZINC000939623689 699761295 /nfs/dbraw/zinc/76/12/95/699761295.db2.gz UKRXZYCYSJFHRU-WBMJQRKESA-N 2 2 343.431 1.301 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)cn1 ZINC000939640858 699770067 /nfs/dbraw/zinc/77/00/67/699770067.db2.gz AACATZYIRBZVHI-SUMWQHHRSA-N 2 2 342.447 1.088 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1nccs1 ZINC000939643521 699783798 /nfs/dbraw/zinc/78/37/98/699783798.db2.gz UPMDLGFBZYPEFF-TZMCWYRMSA-N 2 2 333.461 1.446 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cncs1 ZINC000939643910 699784117 /nfs/dbraw/zinc/78/41/17/699784117.db2.gz XZGJFLGJJFWMRE-IUODEOHRSA-N 2 2 333.461 1.446 20 0 EDADLP C[C@H]1C[C@H](C[NH+]2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)CCO1 ZINC001031843644 699868005 /nfs/dbraw/zinc/86/80/05/699868005.db2.gz JXBOCMNDUCSXEG-LSDHHAIUSA-N 2 2 342.443 1.811 20 0 EDADLP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000940182668 700339826 /nfs/dbraw/zinc/33/98/26/700339826.db2.gz LAHUYRHLBVLUGA-AWEZNQCLSA-N 2 2 343.431 1.604 20 0 EDADLP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000940183183 700340223 /nfs/dbraw/zinc/34/02/23/700340223.db2.gz RQPHDVJMZPHCDR-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC000940243483 700404705 /nfs/dbraw/zinc/40/47/05/700404705.db2.gz RLDFOYKIYOPUQC-HOTGVXAUSA-N 2 2 334.464 1.811 20 0 EDADLP CC1([NH2+]Cc2ccc(CO)cc2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940356172 700517730 /nfs/dbraw/zinc/51/77/30/700517730.db2.gz LXFXNBFGOLLBBO-UHFFFAOYSA-N 2 2 342.443 1.615 20 0 EDADLP CCn1nc(C)c(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000940352775 700536172 /nfs/dbraw/zinc/53/61/72/700536172.db2.gz AWFZNTPUBZWUBY-UHFFFAOYSA-N 2 2 345.451 1.043 20 0 EDADLP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000940396955 700593880 /nfs/dbraw/zinc/59/38/80/700593880.db2.gz BXIAEUJJJDNDPV-UHFFFAOYSA-N 2 2 330.436 1.340 20 0 EDADLP COc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)ccn1 ZINC000940397839 700594578 /nfs/dbraw/zinc/59/45/78/700594578.db2.gz TWPRAHYGEYNIFM-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP CCOC1CC(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000940426509 700620655 /nfs/dbraw/zinc/62/06/55/700620655.db2.gz UKHHJOBAVAZXKP-UHFFFAOYSA-N 2 2 348.491 1.748 20 0 EDADLP COc1cccc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000940482552 700670368 /nfs/dbraw/zinc/67/03/68/700670368.db2.gz DDBOPVRDEMFYPU-UHFFFAOYSA-N 2 2 343.431 1.458 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001032123045 701668042 /nfs/dbraw/zinc/66/80/42/701668042.db2.gz MYNHORCEEAVYLA-CQSZACIVSA-N 2 2 327.432 1.975 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccon3)CC2(C)C)CC[N@@H+]1C ZINC000940756892 700891919 /nfs/dbraw/zinc/89/19/19/700891919.db2.gz LYZKKSVUAFUHOX-FVQBIDKESA-N 2 2 334.464 1.732 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccon3)CC2(C)C)CC[N@H+]1C ZINC000940756892 700891921 /nfs/dbraw/zinc/89/19/21/700891921.db2.gz LYZKKSVUAFUHOX-FVQBIDKESA-N 2 2 334.464 1.732 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccon3)CC2(C)C)CC[NH+]1C ZINC000940756892 700891923 /nfs/dbraw/zinc/89/19/23/700891923.db2.gz LYZKKSVUAFUHOX-FVQBIDKESA-N 2 2 334.464 1.732 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)CC[NH+]1C ZINC000940756892 700891925 /nfs/dbraw/zinc/89/19/25/700891925.db2.gz LYZKKSVUAFUHOX-FVQBIDKESA-N 2 2 334.464 1.732 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c(C)o1 ZINC000995105267 700918491 /nfs/dbraw/zinc/91/84/91/700918491.db2.gz FLSVXUUPPCASFC-KBPBESRZSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000995107890 700972226 /nfs/dbraw/zinc/97/22/26/700972226.db2.gz SLMWXHMEIJKSLC-KGLIPLIRSA-N 2 2 328.420 1.125 20 0 EDADLP CCc1onc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995110677 701000648 /nfs/dbraw/zinc/00/06/48/701000648.db2.gz YULGZGUTZLMMMZ-KGLIPLIRSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995119202 701103930 /nfs/dbraw/zinc/10/39/30/701103930.db2.gz WGJBRLLEXNCXEH-HIFRSBDPSA-N 2 2 330.436 1.069 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)sc1C ZINC000945806540 701196671 /nfs/dbraw/zinc/19/66/71/701196671.db2.gz DXJYBHDTNOKFAX-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)sc1C ZINC000945806540 701196673 /nfs/dbraw/zinc/19/66/73/701196673.db2.gz DXJYBHDTNOKFAX-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810874 701204179 /nfs/dbraw/zinc/20/41/79/701204179.db2.gz YEBAHSKOHNRFHF-CRAIPNDOSA-N 2 2 342.443 1.402 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810874 701204183 /nfs/dbraw/zinc/20/41/83/701204183.db2.gz YEBAHSKOHNRFHF-CRAIPNDOSA-N 2 2 342.443 1.402 20 0 EDADLP CC1(C)C[N@H+](CC2CCOCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941128887 701205476 /nfs/dbraw/zinc/20/54/76/701205476.db2.gz ACSMITLXXFXLDR-HNNXBMFYSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941128887 701205480 /nfs/dbraw/zinc/20/54/80/701205480.db2.gz ACSMITLXXFXLDR-HNNXBMFYSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941220288 701410689 /nfs/dbraw/zinc/41/06/89/701410689.db2.gz BLRGTXGSCULLTP-INIZCTEOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941220288 701410690 /nfs/dbraw/zinc/41/06/90/701410690.db2.gz BLRGTXGSCULLTP-INIZCTEOSA-N 2 2 345.491 1.598 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC000999170148 706599543 /nfs/dbraw/zinc/59/95/43/706599543.db2.gz ZQCPUPIIOJWCMJ-DAWZGUTISA-N 2 2 337.508 1.866 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC000999170148 706599546 /nfs/dbraw/zinc/59/95/46/706599546.db2.gz ZQCPUPIIOJWCMJ-DAWZGUTISA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000943950579 701708096 /nfs/dbraw/zinc/70/80/96/701708096.db2.gz QKPRXSFHGQRTCI-GOEBONIOSA-N 2 2 343.431 1.090 20 0 EDADLP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000943950579 701708099 /nfs/dbraw/zinc/70/80/99/701708099.db2.gz QKPRXSFHGQRTCI-GOEBONIOSA-N 2 2 343.431 1.090 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)on1 ZINC001032128456 701786591 /nfs/dbraw/zinc/78/65/91/701786591.db2.gz DBMNABVNPHZVBW-HZPDHXFCSA-N 2 2 334.464 1.651 20 0 EDADLP O=[N+]([O-])c1ccnn1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000183521662 701798716 /nfs/dbraw/zinc/79/87/16/701798716.db2.gz NXAWLBUTVCACRK-UHFFFAOYSA-N 2 2 337.424 1.573 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000995744619 701954269 /nfs/dbraw/zinc/95/42/69/701954269.db2.gz HVAHHTAJPAUKRL-GJZGRUSLSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2(C)C)n1 ZINC000995791140 702085220 /nfs/dbraw/zinc/08/52/20/702085220.db2.gz CBNMJECMXDFKAW-HUUCEWRRSA-N 2 2 349.479 1.577 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2(C)C)n1 ZINC000995791140 702085227 /nfs/dbraw/zinc/08/52/27/702085227.db2.gz CBNMJECMXDFKAW-HUUCEWRRSA-N 2 2 349.479 1.577 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)c(C)s1 ZINC001031980633 702143260 /nfs/dbraw/zinc/14/32/60/702143260.db2.gz XACBWRJUDQGXIF-XHDPSFHLSA-N 2 2 336.505 1.506 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c(C)s1 ZINC001031980633 702143263 /nfs/dbraw/zinc/14/32/63/702143263.db2.gz XACBWRJUDQGXIF-XHDPSFHLSA-N 2 2 336.505 1.506 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)n1 ZINC000999202673 706647394 /nfs/dbraw/zinc/64/73/94/706647394.db2.gz WSFRNJHMOGSBDX-QLFBSQMISA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)n1 ZINC000999202673 706647397 /nfs/dbraw/zinc/64/73/97/706647397.db2.gz WSFRNJHMOGSBDX-QLFBSQMISA-N 2 2 349.479 1.443 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)cn1 ZINC000995892256 702191992 /nfs/dbraw/zinc/19/19/92/702191992.db2.gz MMKPMJWRMCWTSG-HNNXBMFYSA-N 2 2 330.436 1.103 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000995892256 702191996 /nfs/dbraw/zinc/19/19/96/702191996.db2.gz MMKPMJWRMCWTSG-HNNXBMFYSA-N 2 2 330.436 1.103 20 0 EDADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995975250 702331481 /nfs/dbraw/zinc/33/14/81/702331481.db2.gz IXPKMKUENQSQPU-JKSUJKDBSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995975250 702331489 /nfs/dbraw/zinc/33/14/89/702331489.db2.gz IXPKMKUENQSQPU-JKSUJKDBSA-N 2 2 345.491 1.596 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942053335 702483472 /nfs/dbraw/zinc/48/34/72/702483472.db2.gz NQBFCOVQFBRKIN-GDBMZVCRSA-N 2 2 349.479 1.661 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942053335 702483474 /nfs/dbraw/zinc/48/34/74/702483474.db2.gz NQBFCOVQFBRKIN-GDBMZVCRSA-N 2 2 349.479 1.661 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942053338 702484109 /nfs/dbraw/zinc/48/41/09/702484109.db2.gz NQBFCOVQFBRKIN-ZBFHGGJFSA-N 2 2 349.479 1.661 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942053338 702484112 /nfs/dbraw/zinc/48/41/12/702484112.db2.gz NQBFCOVQFBRKIN-ZBFHGGJFSA-N 2 2 349.479 1.661 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2cnc(C)cn2)C(C)(C)C1 ZINC000996562598 702876344 /nfs/dbraw/zinc/87/63/44/702876344.db2.gz MMWLQBSUSAXLEG-MRXNPFEDSA-N 2 2 342.447 1.386 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000995239811 702901395 /nfs/dbraw/zinc/90/13/95/702901395.db2.gz KNPACZLICXWPPY-JSGCOSHPSA-N 2 2 344.419 1.218 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996608669 702911976 /nfs/dbraw/zinc/91/19/76/702911976.db2.gz DJDPNJUJEVOXTQ-OCCSQVGLSA-N 2 2 335.452 1.361 20 0 EDADLP C[C@H]([NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)c1csnn1 ZINC000996612501 702917693 /nfs/dbraw/zinc/91/76/93/702917693.db2.gz RDXBUOSNFXVDEI-JSGCOSHPSA-N 2 2 337.493 1.522 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC000995242917 702920067 /nfs/dbraw/zinc/92/00/67/702920067.db2.gz HMYSBEXLDYVRIH-GJZGRUSLSA-N 2 2 331.420 1.563 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996616120 702923447 /nfs/dbraw/zinc/92/34/47/702923447.db2.gz ANUISHDCUYLXJX-HNNXBMFYSA-N 2 2 344.463 1.435 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccccc1F ZINC001032315306 702968754 /nfs/dbraw/zinc/96/87/54/702968754.db2.gz IAKYTGWKDDHVAT-XYJFISCASA-N 2 2 331.435 1.748 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccccc1F ZINC001032315306 702968755 /nfs/dbraw/zinc/96/87/55/702968755.db2.gz IAKYTGWKDDHVAT-XYJFISCASA-N 2 2 331.435 1.748 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1F ZINC001032315306 702968759 /nfs/dbraw/zinc/96/87/59/702968759.db2.gz IAKYTGWKDDHVAT-XYJFISCASA-N 2 2 331.435 1.748 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C[C@H]1C ZINC000942519050 703020786 /nfs/dbraw/zinc/02/07/86/703020786.db2.gz YSEJOSCYRCRMBD-CXAGYDPISA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C[C@H]1C ZINC000942519050 703020789 /nfs/dbraw/zinc/02/07/89/703020789.db2.gz YSEJOSCYRCRMBD-CXAGYDPISA-N 2 2 342.447 1.317 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000996726056 703021022 /nfs/dbraw/zinc/02/10/22/703021022.db2.gz VUCKNXBILPSAMP-OAHLLOKOSA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000996726056 703021027 /nfs/dbraw/zinc/02/10/27/703021027.db2.gz VUCKNXBILPSAMP-OAHLLOKOSA-N 2 2 347.463 1.512 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996739345 703025277 /nfs/dbraw/zinc/02/52/77/703025277.db2.gz QOLBVKBWYGFOJI-GFCCVEGCSA-N 2 2 346.460 1.078 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996739384 703025752 /nfs/dbraw/zinc/02/57/52/703025752.db2.gz RLGAAVRJRVDWGZ-OAHLLOKOSA-N 2 2 339.443 1.621 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)no1 ZINC000996757806 703046504 /nfs/dbraw/zinc/04/65/04/703046504.db2.gz MYCHXBLJSBPAFX-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP Cn1ccc(C[NH2+]C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)n1 ZINC000996796540 703080976 /nfs/dbraw/zinc/08/09/76/703080976.db2.gz UGMDCKOYZJBMOX-UHFFFAOYSA-N 2 2 338.415 1.462 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)o1 ZINC000996836440 703123954 /nfs/dbraw/zinc/12/39/54/703123954.db2.gz WZWYRWXUNGPQGX-UHFFFAOYSA-N 2 2 345.447 1.738 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+]Cc2ccnn2C)CC1)n1cc[nH+]c1 ZINC000997046960 703295621 /nfs/dbraw/zinc/29/56/21/703295621.db2.gz RVQAZAMOULNFHB-AWEZNQCLSA-N 2 2 330.436 1.349 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H]1CCOC1 ZINC001032378856 703352181 /nfs/dbraw/zinc/35/21/81/703352181.db2.gz YAPXLRNRKKQOCY-PMPSAXMXSA-N 2 2 332.448 1.444 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H]1CCOC1 ZINC001032378856 703352182 /nfs/dbraw/zinc/35/21/82/703352182.db2.gz YAPXLRNRKKQOCY-PMPSAXMXSA-N 2 2 332.448 1.444 20 0 EDADLP C[C@H]1C[N@H+](CCF)CC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000942839335 703353022 /nfs/dbraw/zinc/35/30/22/703353022.db2.gz SCBBZYQZEGPKRL-ZFWWWQNUSA-N 2 2 338.427 1.680 20 0 EDADLP C[C@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000942839335 703353023 /nfs/dbraw/zinc/35/30/23/703353023.db2.gz SCBBZYQZEGPKRL-ZFWWWQNUSA-N 2 2 338.427 1.680 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000997178710 703465673 /nfs/dbraw/zinc/46/56/73/703465673.db2.gz FXFRMUDWPQCMTH-UHFFFAOYSA-N 2 2 326.391 1.589 20 0 EDADLP Cn1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)n1 ZINC000997182935 703468195 /nfs/dbraw/zinc/46/81/95/703468195.db2.gz LPUFITRPTKYKLH-UHFFFAOYSA-N 2 2 330.436 1.202 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000997220468 703498467 /nfs/dbraw/zinc/49/84/67/703498467.db2.gz BSVFGJWCEPRVBL-LLVKDONJSA-N 2 2 332.408 1.294 20 0 EDADLP C[C@H]1CC[C@H](C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)O1 ZINC000997237920 703524729 /nfs/dbraw/zinc/52/47/29/703524729.db2.gz RFGYIVRJACJEND-WMLDXEAASA-N 2 2 334.464 1.501 20 0 EDADLP Cc1nnsc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997238775 703525420 /nfs/dbraw/zinc/52/54/20/703525420.db2.gz XMEBLDPZZNFDKL-UHFFFAOYSA-N 2 2 348.476 1.293 20 0 EDADLP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccccn1 ZINC001032454267 703640745 /nfs/dbraw/zinc/64/07/45/703640745.db2.gz KROFGGUNBAZFIA-BZSNNMDCSA-N 2 2 328.460 1.741 20 0 EDADLP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccccn1 ZINC001032454267 703640746 /nfs/dbraw/zinc/64/07/46/703640746.db2.gz KROFGGUNBAZFIA-BZSNNMDCSA-N 2 2 328.460 1.741 20 0 EDADLP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001032454267 703640747 /nfs/dbraw/zinc/64/07/47/703640747.db2.gz KROFGGUNBAZFIA-BZSNNMDCSA-N 2 2 328.460 1.741 20 0 EDADLP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001032454267 703640748 /nfs/dbraw/zinc/64/07/48/703640748.db2.gz KROFGGUNBAZFIA-BZSNNMDCSA-N 2 2 328.460 1.741 20 0 EDADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460444 703641805 /nfs/dbraw/zinc/64/18/05/703641805.db2.gz NJTJWGBHUFNFPC-BZSNNMDCSA-N 2 2 330.476 1.761 20 0 EDADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460444 703641806 /nfs/dbraw/zinc/64/18/06/703641806.db2.gz NJTJWGBHUFNFPC-BZSNNMDCSA-N 2 2 330.476 1.761 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCCOC2)no1 ZINC001032488845 703763963 /nfs/dbraw/zinc/76/39/63/703763963.db2.gz ITSCBSNVEIPQLZ-KKUMJFAQSA-N 2 2 348.447 1.062 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCCOC2)no1 ZINC001032488845 703763964 /nfs/dbraw/zinc/76/39/64/703763964.db2.gz ITSCBSNVEIPQLZ-KKUMJFAQSA-N 2 2 348.447 1.062 20 0 EDADLP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032523407 703979552 /nfs/dbraw/zinc/97/95/52/703979552.db2.gz XCFJADCEOVFBGK-ILXRZTDVSA-N 2 2 334.439 1.795 20 0 EDADLP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]c2c1CCCC2 ZINC001032523407 703979554 /nfs/dbraw/zinc/97/95/54/703979554.db2.gz XCFJADCEOVFBGK-ILXRZTDVSA-N 2 2 334.439 1.795 20 0 EDADLP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033078128 704129333 /nfs/dbraw/zinc/12/93/33/704129333.db2.gz JWFJACRGBNQMGX-ZBFHGGJFSA-N 2 2 330.432 1.824 20 0 EDADLP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001033078128 704129334 /nfs/dbraw/zinc/12/93/34/704129334.db2.gz JWFJACRGBNQMGX-ZBFHGGJFSA-N 2 2 330.432 1.824 20 0 EDADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085195 704148263 /nfs/dbraw/zinc/14/82/63/704148263.db2.gz POJYBAHGAPGVEL-IXDOHACOSA-N 2 2 346.475 1.333 20 0 EDADLP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085195 704148264 /nfs/dbraw/zinc/14/82/64/704148264.db2.gz POJYBAHGAPGVEL-IXDOHACOSA-N 2 2 346.475 1.333 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033093193 704169997 /nfs/dbraw/zinc/16/99/97/704169997.db2.gz YDBVWHYBKKZOIB-DJIMGWMZSA-N 2 2 333.480 1.276 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033093193 704169999 /nfs/dbraw/zinc/16/99/99/704169999.db2.gz YDBVWHYBKKZOIB-DJIMGWMZSA-N 2 2 333.480 1.276 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033093193 704170000 /nfs/dbraw/zinc/17/00/00/704170000.db2.gz YDBVWHYBKKZOIB-DJIMGWMZSA-N 2 2 333.480 1.276 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033093193 704170002 /nfs/dbraw/zinc/17/00/02/704170002.db2.gz YDBVWHYBKKZOIB-DJIMGWMZSA-N 2 2 333.480 1.276 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCCO1 ZINC001032534973 704567698 /nfs/dbraw/zinc/56/76/98/704567698.db2.gz NJWMPAKQDFSALX-HRCADAONSA-N 2 2 332.448 1.207 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCCO1 ZINC001032534973 704567699 /nfs/dbraw/zinc/56/76/99/704567699.db2.gz NJWMPAKQDFSALX-HRCADAONSA-N 2 2 332.448 1.207 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2nncs2)CC1 ZINC000997868145 704773689 /nfs/dbraw/zinc/77/36/89/704773689.db2.gz RJEUDRXHSFKQHY-JSGCOSHPSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2nncs2)CC1 ZINC000997868145 704773692 /nfs/dbraw/zinc/77/36/92/704773692.db2.gz RJEUDRXHSFKQHY-JSGCOSHPSA-N 2 2 337.493 1.207 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997872346 704777985 /nfs/dbraw/zinc/77/79/85/704777985.db2.gz KLMCKVBELDLCDH-HNNXBMFYSA-N 2 2 343.431 1.462 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)s1 ZINC000944965434 704835410 /nfs/dbraw/zinc/83/54/10/704835410.db2.gz SOPRLXVEABHJNK-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)s1 ZINC000944965434 704835416 /nfs/dbraw/zinc/83/54/16/704835416.db2.gz SOPRLXVEABHJNK-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccn2)C1 ZINC001032582137 705017945 /nfs/dbraw/zinc/01/79/45/705017945.db2.gz OGWPUEYYIOMTOF-WDSOQIARSA-N 2 2 342.487 1.989 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccn2)C1 ZINC001032582137 705017951 /nfs/dbraw/zinc/01/79/51/705017951.db2.gz OGWPUEYYIOMTOF-WDSOQIARSA-N 2 2 342.487 1.989 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccn2)C1 ZINC001032582137 705017957 /nfs/dbraw/zinc/01/79/57/705017957.db2.gz OGWPUEYYIOMTOF-WDSOQIARSA-N 2 2 342.487 1.989 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccn2)C1 ZINC001032582137 705017963 /nfs/dbraw/zinc/01/79/63/705017963.db2.gz OGWPUEYYIOMTOF-WDSOQIARSA-N 2 2 342.487 1.989 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CC1 ZINC001032585400 705055133 /nfs/dbraw/zinc/05/51/33/705055133.db2.gz HAFVSTSTLGYJHM-GBESFXJTSA-N 2 2 347.503 1.715 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CC1 ZINC001032585400 705055138 /nfs/dbraw/zinc/05/51/38/705055138.db2.gz HAFVSTSTLGYJHM-GBESFXJTSA-N 2 2 347.503 1.715 20 0 EDADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032585400 705055144 /nfs/dbraw/zinc/05/51/44/705055144.db2.gz HAFVSTSTLGYJHM-GBESFXJTSA-N 2 2 347.503 1.715 20 0 EDADLP CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998045531 705240865 /nfs/dbraw/zinc/24/08/65/705240865.db2.gz KVQQFEKLNADJDB-HOTGVXAUSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998045531 705240867 /nfs/dbraw/zinc/24/08/67/705240867.db2.gz KVQQFEKLNADJDB-HOTGVXAUSA-N 2 2 334.464 1.141 20 0 EDADLP CC(C)(C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1)c1c[nH+]c[nH]1 ZINC000998224048 705552126 /nfs/dbraw/zinc/55/21/26/705552126.db2.gz WDGKLBQUXMTVHR-OAHLLOKOSA-N 2 2 334.464 1.552 20 0 EDADLP CCOC1CC(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000998296309 705698911 /nfs/dbraw/zinc/69/89/11/705698911.db2.gz DJHLWFZDGGQOMU-UHFFFAOYSA-N 2 2 334.464 1.526 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000998297885 705701396 /nfs/dbraw/zinc/70/13/96/705701396.db2.gz PUUJJFGGAYXWDE-ZDUSSCGKSA-N 2 2 346.435 1.418 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C(F)(F)F ZINC000998300570 705705212 /nfs/dbraw/zinc/70/52/12/705705212.db2.gz FBGKWNZVRHSPLC-QWHCGFSZSA-N 2 2 332.370 1.740 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000999038214 706454026 /nfs/dbraw/zinc/45/40/26/706454026.db2.gz FQVIWIRJGMCUFG-HUUCEWRRSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)no1 ZINC000999050827 706471415 /nfs/dbraw/zinc/47/14/15/706471415.db2.gz MHDHOELTRSEVJA-LRVUVFPRSA-N 2 2 347.463 1.646 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)sn1 ZINC000999045724 706487193 /nfs/dbraw/zinc/48/71/93/706487193.db2.gz PZINNNSXLBYCEK-LBPRGKRZSA-N 2 2 349.460 1.588 20 0 EDADLP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH2+]Cc2csnn2)C1 ZINC000999123521 706548292 /nfs/dbraw/zinc/54/82/92/706548292.db2.gz MVROKPCKRVZBEB-UHFFFAOYSA-N 2 2 342.428 1.579 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)s1 ZINC000999320495 706820726 /nfs/dbraw/zinc/82/07/26/706820726.db2.gz ZQPBHUKUCHWGRZ-AWEZNQCLSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)s1 ZINC000999320495 706820729 /nfs/dbraw/zinc/82/07/29/706820729.db2.gz ZQPBHUKUCHWGRZ-AWEZNQCLSA-N 2 2 333.461 1.888 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712328 706822359 /nfs/dbraw/zinc/82/23/59/706822359.db2.gz SZCGXNPDARKVLR-JLSDUUJJSA-N 2 2 340.427 1.806 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712328 706822361 /nfs/dbraw/zinc/82/23/61/706822361.db2.gz SZCGXNPDARKVLR-JLSDUUJJSA-N 2 2 340.427 1.806 20 0 EDADLP CCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999365062 706878545 /nfs/dbraw/zinc/87/85/45/706878545.db2.gz PBPAEKIUCYYYDL-ZIAGYGMSSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999365062 706878546 /nfs/dbraw/zinc/87/85/46/706878546.db2.gz PBPAEKIUCYYYDL-ZIAGYGMSSA-N 2 2 349.479 1.758 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999368327 706882351 /nfs/dbraw/zinc/88/23/51/706882351.db2.gz HIYDBFKRVDZJDN-CABCVRRESA-N 2 2 340.431 1.331 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]Cc2ccns2)C1 ZINC000999426281 706933154 /nfs/dbraw/zinc/93/31/54/706933154.db2.gz PVOCXNBMUAQYPA-BBNOBNGHSA-N 2 2 345.472 1.759 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000999474206 706982998 /nfs/dbraw/zinc/98/29/98/706982998.db2.gz SUFVNJQGTSKRLR-MKTAYPAQSA-N 2 2 346.406 1.404 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000999475373 706984081 /nfs/dbraw/zinc/98/40/81/706984081.db2.gz XWBPLRSTHYWATJ-LKSINWNRSA-N 2 2 326.391 1.967 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999512383 707011023 /nfs/dbraw/zinc/01/10/23/707011023.db2.gz PJJKKOIVEKTJQC-HUUCEWRRSA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999512383 707011027 /nfs/dbraw/zinc/01/10/27/707011027.db2.gz PJJKKOIVEKTJQC-HUUCEWRRSA-N 2 2 347.463 1.512 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999599262 707102042 /nfs/dbraw/zinc/10/20/42/707102042.db2.gz YCIOGOSZUWXDMS-HIFRSBDPSA-N 2 2 347.463 1.648 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694231 707148448 /nfs/dbraw/zinc/14/84/48/707148448.db2.gz OGKQEJGEWHWFJV-YESZJQIVSA-N 2 2 348.491 1.558 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694231 707148449 /nfs/dbraw/zinc/14/84/49/707148449.db2.gz OGKQEJGEWHWFJV-YESZJQIVSA-N 2 2 348.491 1.558 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001033267023 707295495 /nfs/dbraw/zinc/29/54/95/707295495.db2.gz SMKQRLMATYXITP-CABCVRRESA-N 2 2 328.420 1.275 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001033267023 707295499 /nfs/dbraw/zinc/29/54/99/707295499.db2.gz SMKQRLMATYXITP-CABCVRRESA-N 2 2 328.420 1.275 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)s1 ZINC000999775168 707334815 /nfs/dbraw/zinc/33/48/15/707334815.db2.gz KELMTUYBIJIHCQ-CQSZACIVSA-N 2 2 347.488 1.898 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)cn1 ZINC000999778213 707339385 /nfs/dbraw/zinc/33/93/85/707339385.db2.gz VXWDHXMAWFCCRN-HNNXBMFYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)n1 ZINC000999793433 707365014 /nfs/dbraw/zinc/36/50/14/707365014.db2.gz QLKOKQIKRDDYHU-RDJZCZTQSA-N 2 2 347.463 1.333 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000999838384 707410569 /nfs/dbraw/zinc/41/05/69/707410569.db2.gz VWLQTMSTIOZHHW-AQFXKWCLSA-N 2 2 334.464 1.669 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199814 707453942 /nfs/dbraw/zinc/45/39/42/707453942.db2.gz YUOLECTVXAKNHO-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033199814 707453945 /nfs/dbraw/zinc/45/39/45/707453945.db2.gz YUOLECTVXAKNHO-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033199814 707453948 /nfs/dbraw/zinc/45/39/48/707453948.db2.gz YUOLECTVXAKNHO-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033199814 707453951 /nfs/dbraw/zinc/45/39/51/707453951.db2.gz YUOLECTVXAKNHO-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000999837196 707474303 /nfs/dbraw/zinc/47/43/03/707474303.db2.gz QKWPGXVCPXZQPM-SJORKVTESA-N 2 2 334.464 1.813 20 0 EDADLP CN(C(=O)C[N@@H+]1CCc2sccc2C1)C1CC([NH2+]CCF)C1 ZINC000999872775 707517163 /nfs/dbraw/zinc/51/71/63/707517163.db2.gz HAGDQKPTZHBQRG-UHFFFAOYSA-N 2 2 325.453 1.655 20 0 EDADLP CN(C(=O)C[N@H+]1CCc2sccc2C1)C1CC([NH2+]CCF)C1 ZINC000999872775 707517167 /nfs/dbraw/zinc/51/71/67/707517167.db2.gz HAGDQKPTZHBQRG-UHFFFAOYSA-N 2 2 325.453 1.655 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1nonc1C ZINC001004897762 707614226 /nfs/dbraw/zinc/61/42/26/707614226.db2.gz QSHDKCFVEAREFT-HOCLYGCPSA-N 2 2 346.435 1.442 20 0 EDADLP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004922656 707658642 /nfs/dbraw/zinc/65/86/42/707658642.db2.gz WKJQOZITPREJLC-NVXWUHKLSA-N 2 2 344.463 1.566 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004944674 707692677 /nfs/dbraw/zinc/69/26/77/707692677.db2.gz HDKIFLJBRHBSSH-XJKSGUPXSA-N 2 2 330.436 1.245 20 0 EDADLP CCn1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)nn1 ZINC001004946459 707717504 /nfs/dbraw/zinc/71/75/04/707717504.db2.gz MDFMVRKWBQFHMK-BBRMVZONSA-N 2 2 345.451 1.123 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc[nH+]1 ZINC001061652160 707777874 /nfs/dbraw/zinc/77/78/74/707777874.db2.gz GDQBHHDAVQSVGQ-GDBMZVCRSA-N 2 2 329.448 1.069 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)ncn1 ZINC001004962405 707785480 /nfs/dbraw/zinc/78/54/80/707785480.db2.gz CAIPGFHLPVSJOI-GOEBONIOSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)ncn1 ZINC001033418870 707804728 /nfs/dbraw/zinc/80/47/28/707804728.db2.gz FDWVYIPPQGSUJB-WMLDXEAASA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)ncn1 ZINC001033418870 707804730 /nfs/dbraw/zinc/80/47/30/707804730.db2.gz FDWVYIPPQGSUJB-WMLDXEAASA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)ncn1 ZINC001033418870 707804732 /nfs/dbraw/zinc/80/47/32/707804732.db2.gz FDWVYIPPQGSUJB-WMLDXEAASA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)ncn1 ZINC001033418870 707804735 /nfs/dbraw/zinc/80/47/35/707804735.db2.gz FDWVYIPPQGSUJB-WMLDXEAASA-N 2 2 331.464 1.160 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC001033452441 707895443 /nfs/dbraw/zinc/89/54/43/707895443.db2.gz LEVVIUGKXQUNNO-QZTJIDSGSA-N 2 2 342.443 1.089 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC001033452441 707895449 /nfs/dbraw/zinc/89/54/49/707895449.db2.gz LEVVIUGKXQUNNO-QZTJIDSGSA-N 2 2 342.443 1.089 20 0 EDADLP CCn1ncnc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005008398 707923806 /nfs/dbraw/zinc/92/38/06/707923806.db2.gz ITTRBXMKCAJLRH-GJZGRUSLSA-N 2 2 345.451 1.054 20 0 EDADLP CS[C@@H]1CCC[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000921757246 707984886 /nfs/dbraw/zinc/98/48/86/707984886.db2.gz DRRSWPGCBZFUQV-HRCADAONSA-N 2 2 341.521 1.183 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)oc1C ZINC001005180671 708124102 /nfs/dbraw/zinc/12/41/02/708124102.db2.gz URZQQWJYRGTUQF-MRXNPFEDSA-N 2 2 334.464 1.808 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)oc1C ZINC001005180671 708124106 /nfs/dbraw/zinc/12/41/06/708124106.db2.gz URZQQWJYRGTUQF-MRXNPFEDSA-N 2 2 334.464 1.808 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033530774 708153067 /nfs/dbraw/zinc/15/30/67/708153067.db2.gz GYWDXSBALLUACA-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033530774 708153070 /nfs/dbraw/zinc/15/30/70/708153070.db2.gz GYWDXSBALLUACA-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)nn1C ZINC001033531998 708155452 /nfs/dbraw/zinc/15/54/52/708155452.db2.gz PYDMTCVPORLKCF-SFHVURJKSA-N 2 2 347.507 1.493 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)nn1C ZINC001033531998 708155454 /nfs/dbraw/zinc/15/54/54/708155454.db2.gz PYDMTCVPORLKCF-SFHVURJKSA-N 2 2 347.507 1.493 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001005211033 708237920 /nfs/dbraw/zinc/23/79/20/708237920.db2.gz ZTURWJMXALWWHD-GOSISDBHSA-N 2 2 349.450 1.579 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001005211033 708237923 /nfs/dbraw/zinc/23/79/23/708237923.db2.gz ZTURWJMXALWWHD-GOSISDBHSA-N 2 2 349.450 1.579 20 0 EDADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033578287 708255333 /nfs/dbraw/zinc/25/53/33/708255333.db2.gz HQRYZBOISCKLFG-OAHLLOKOSA-N 2 2 329.404 1.060 20 0 EDADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033578287 708255334 /nfs/dbraw/zinc/25/53/34/708255334.db2.gz HQRYZBOISCKLFG-OAHLLOKOSA-N 2 2 329.404 1.060 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033594846 708297027 /nfs/dbraw/zinc/29/70/27/708297027.db2.gz RGDQWVJKXOUKKU-OAHLLOKOSA-N 2 2 334.489 1.580 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033594846 708297031 /nfs/dbraw/zinc/29/70/31/708297031.db2.gz RGDQWVJKXOUKKU-OAHLLOKOSA-N 2 2 334.489 1.580 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033596346 708300630 /nfs/dbraw/zinc/30/06/30/708300630.db2.gz YPEVTIHTGCYJLZ-OAHLLOKOSA-N 2 2 348.878 1.864 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033596346 708300632 /nfs/dbraw/zinc/30/06/32/708300632.db2.gz YPEVTIHTGCYJLZ-OAHLLOKOSA-N 2 2 348.878 1.864 20 0 EDADLP CCc1noc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001001824484 708327201 /nfs/dbraw/zinc/32/72/01/708327201.db2.gz IHLXDFSFWIZJKG-UKRRQHHQSA-N 2 2 349.479 1.158 20 0 EDADLP CCc1noc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001001824484 708327204 /nfs/dbraw/zinc/32/72/04/708327204.db2.gz IHLXDFSFWIZJKG-UKRRQHHQSA-N 2 2 349.479 1.158 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001033615907 708341310 /nfs/dbraw/zinc/34/13/10/708341310.db2.gz DAIZWFSVSVJYGH-JKSUJKDBSA-N 2 2 334.464 1.610 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001033615907 708341312 /nfs/dbraw/zinc/34/13/12/708341312.db2.gz DAIZWFSVSVJYGH-JKSUJKDBSA-N 2 2 334.464 1.610 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCC1 ZINC001033615912 708341683 /nfs/dbraw/zinc/34/16/83/708341683.db2.gz DBZOTAXNIMBDOX-RDJZCZTQSA-N 2 2 334.464 1.608 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCC1 ZINC001033615912 708341684 /nfs/dbraw/zinc/34/16/84/708341684.db2.gz DBZOTAXNIMBDOX-RDJZCZTQSA-N 2 2 334.464 1.608 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033617587 708345743 /nfs/dbraw/zinc/34/57/43/708345743.db2.gz WEZOOESQWNIZOL-CYBMUJFWSA-N 2 2 326.391 1.839 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033617587 708345746 /nfs/dbraw/zinc/34/57/46/708345746.db2.gz WEZOOESQWNIZOL-CYBMUJFWSA-N 2 2 326.391 1.839 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)cc[nH+]1 ZINC001061028056 708359660 /nfs/dbraw/zinc/35/96/60/708359660.db2.gz CHXLLEJQYCDKTL-HNNXBMFYSA-N 2 2 329.448 1.674 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC001033658197 708429138 /nfs/dbraw/zinc/42/91/38/708429138.db2.gz RHLFOOHDEBLVKW-INIZCTEOSA-N 2 2 332.448 1.219 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC001033658197 708429139 /nfs/dbraw/zinc/42/91/39/708429139.db2.gz RHLFOOHDEBLVKW-INIZCTEOSA-N 2 2 332.448 1.219 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccsc3)C2)C1 ZINC001033670404 708460148 /nfs/dbraw/zinc/46/01/48/708460148.db2.gz BFVXBSZDSWZICU-HOTGVXAUSA-N 2 2 337.489 1.502 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccsc3)C2)C1 ZINC001033670404 708460150 /nfs/dbraw/zinc/46/01/50/708460150.db2.gz BFVXBSZDSWZICU-HOTGVXAUSA-N 2 2 337.489 1.502 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccsc3)C2)C1 ZINC001033670404 708460153 /nfs/dbraw/zinc/46/01/53/708460153.db2.gz BFVXBSZDSWZICU-HOTGVXAUSA-N 2 2 337.489 1.502 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001033670404 708460156 /nfs/dbraw/zinc/46/01/56/708460156.db2.gz BFVXBSZDSWZICU-HOTGVXAUSA-N 2 2 337.489 1.502 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c(C)s1 ZINC001033661604 708474917 /nfs/dbraw/zinc/47/49/17/708474917.db2.gz LUIPWBYYHFQXQQ-LSDHHAIUSA-N 2 2 336.505 1.744 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c(C)s1 ZINC001033661604 708474918 /nfs/dbraw/zinc/47/49/18/708474918.db2.gz LUIPWBYYHFQXQQ-LSDHHAIUSA-N 2 2 336.505 1.744 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001033661604 708474919 /nfs/dbraw/zinc/47/49/19/708474919.db2.gz LUIPWBYYHFQXQQ-LSDHHAIUSA-N 2 2 336.505 1.744 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001033661604 708474920 /nfs/dbraw/zinc/47/49/20/708474920.db2.gz LUIPWBYYHFQXQQ-LSDHHAIUSA-N 2 2 336.505 1.744 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033685419 708499496 /nfs/dbraw/zinc/49/94/96/708499496.db2.gz LHVZQIQTMYZGEC-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033685419 708499499 /nfs/dbraw/zinc/49/94/99/708499499.db2.gz LHVZQIQTMYZGEC-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033685419 708499502 /nfs/dbraw/zinc/49/95/02/708499502.db2.gz LHVZQIQTMYZGEC-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033685419 708499504 /nfs/dbraw/zinc/49/95/04/708499504.db2.gz LHVZQIQTMYZGEC-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033790345 708715127 /nfs/dbraw/zinc/71/51/27/708715127.db2.gz UZQOERINTNXNPS-MOPGFXCFSA-N 2 2 345.487 1.483 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033790345 708715129 /nfs/dbraw/zinc/71/51/29/708715129.db2.gz UZQOERINTNXNPS-MOPGFXCFSA-N 2 2 345.487 1.483 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC001033790345 708715131 /nfs/dbraw/zinc/71/51/31/708715131.db2.gz UZQOERINTNXNPS-MOPGFXCFSA-N 2 2 345.487 1.483 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC001033790345 708715132 /nfs/dbraw/zinc/71/51/32/708715132.db2.gz UZQOERINTNXNPS-MOPGFXCFSA-N 2 2 345.487 1.483 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033790436 708715307 /nfs/dbraw/zinc/71/53/07/708715307.db2.gz WCZAGPUAAVHFJA-CVEARBPZSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033790436 708715309 /nfs/dbraw/zinc/71/53/09/708715309.db2.gz WCZAGPUAAVHFJA-CVEARBPZSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033790436 708715311 /nfs/dbraw/zinc/71/53/11/708715311.db2.gz WCZAGPUAAVHFJA-CVEARBPZSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033790436 708715313 /nfs/dbraw/zinc/71/53/13/708715313.db2.gz WCZAGPUAAVHFJA-CVEARBPZSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001033831865 708854736 /nfs/dbraw/zinc/85/47/36/708854736.db2.gz ZXXNTCBXKDSPEG-IAGOWNOFSA-N 2 2 332.448 1.439 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001033831865 708854738 /nfs/dbraw/zinc/85/47/38/708854738.db2.gz ZXXNTCBXKDSPEG-IAGOWNOFSA-N 2 2 332.448 1.439 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3cnns3)CC2)CC[N@@H+]1C ZINC001005408249 708915894 /nfs/dbraw/zinc/91/58/94/708915894.db2.gz VWQAQCBQWSEJOG-IUODEOHRSA-N 2 2 337.493 1.301 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3cnns3)CC2)CC[N@H+]1C ZINC001005408249 708915896 /nfs/dbraw/zinc/91/58/96/708915896.db2.gz VWQAQCBQWSEJOG-IUODEOHRSA-N 2 2 337.493 1.301 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)sn1 ZINC001002478283 709026985 /nfs/dbraw/zinc/02/69/85/709026985.db2.gz ADRXZQVHOXDGDM-CQSZACIVSA-N 2 2 338.477 1.327 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)sn1 ZINC001002478283 709026988 /nfs/dbraw/zinc/02/69/88/709026988.db2.gz ADRXZQVHOXDGDM-CQSZACIVSA-N 2 2 338.477 1.327 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000921932706 709057482 /nfs/dbraw/zinc/05/74/82/709057482.db2.gz IEOPESWBINPVDV-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001002791947 709399993 /nfs/dbraw/zinc/39/99/93/709399993.db2.gz JSBAYOSQLZTVTB-HNNXBMFYSA-N 2 2 337.493 1.492 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001002791947 709399996 /nfs/dbraw/zinc/39/99/96/709399996.db2.gz JSBAYOSQLZTVTB-HNNXBMFYSA-N 2 2 337.493 1.492 20 0 EDADLP COc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001034136214 709407266 /nfs/dbraw/zinc/40/72/66/709407266.db2.gz JMXPLHDMYHBYLR-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001034136214 709407267 /nfs/dbraw/zinc/40/72/67/709407267.db2.gz JMXPLHDMYHBYLR-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034136214 709407268 /nfs/dbraw/zinc/40/72/68/709407268.db2.gz JMXPLHDMYHBYLR-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001034136214 709407269 /nfs/dbraw/zinc/40/72/69/709407269.db2.gz JMXPLHDMYHBYLR-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3nc(C)no3)CC2)CC[N@@H+]1C ZINC001002861745 709464978 /nfs/dbraw/zinc/46/49/78/709464978.db2.gz DZAKXZDRVPFALE-VBNZEHGJSA-N 2 2 349.479 1.750 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3nc(C)no3)CC2)CC[N@H+]1C ZINC001002861745 709464979 /nfs/dbraw/zinc/46/49/79/709464979.db2.gz DZAKXZDRVPFALE-VBNZEHGJSA-N 2 2 349.479 1.750 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nonc3C)CC2)CC[N@@H+]1C ZINC001002859254 709467067 /nfs/dbraw/zinc/46/70/67/709467067.db2.gz NHOYDRFGCUGYJH-GOEBONIOSA-N 2 2 335.452 1.189 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nonc3C)CC2)CC[N@H+]1C ZINC001002859254 709467068 /nfs/dbraw/zinc/46/70/68/709467068.db2.gz NHOYDRFGCUGYJH-GOEBONIOSA-N 2 2 335.452 1.189 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@@H+]1C ZINC001034214828 709567413 /nfs/dbraw/zinc/56/74/13/709567413.db2.gz RLOFVZYYESAENU-BZUAXINKSA-N 2 2 331.464 1.288 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@H+]1C ZINC001034214828 709567417 /nfs/dbraw/zinc/56/74/17/709567417.db2.gz RLOFVZYYESAENU-BZUAXINKSA-N 2 2 331.464 1.288 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034214828 709567420 /nfs/dbraw/zinc/56/74/20/709567420.db2.gz RLOFVZYYESAENU-BZUAXINKSA-N 2 2 331.464 1.288 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034214828 709567424 /nfs/dbraw/zinc/56/74/24/709567424.db2.gz RLOFVZYYESAENU-BZUAXINKSA-N 2 2 331.464 1.288 20 0 EDADLP CO[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218627 709575679 /nfs/dbraw/zinc/57/56/79/709575679.db2.gz IFSPBKSXEBUUDF-HZPDHXFCSA-N 2 2 348.491 1.768 20 0 EDADLP CO[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218627 709575682 /nfs/dbraw/zinc/57/56/82/709575682.db2.gz IFSPBKSXEBUUDF-HZPDHXFCSA-N 2 2 348.491 1.768 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c(C)c(C)[nH+]1 ZINC001061213320 709734740 /nfs/dbraw/zinc/73/47/40/709734740.db2.gz DVKFOPNQBFHICQ-KRWDZBQOSA-N 2 2 345.491 1.925 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](CCO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001034328434 709780465 /nfs/dbraw/zinc/78/04/65/709780465.db2.gz VOIFQSSLONTIDP-MRXNPFEDSA-N 2 2 328.416 1.449 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](CCO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001034328434 709780467 /nfs/dbraw/zinc/78/04/67/709780467.db2.gz VOIFQSSLONTIDP-MRXNPFEDSA-N 2 2 328.416 1.449 20 0 EDADLP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328604 709780678 /nfs/dbraw/zinc/78/06/78/709780678.db2.gz YNEWHEBEYMTXFM-DOTOQJQBSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328604 709780681 /nfs/dbraw/zinc/78/06/81/709780681.db2.gz YNEWHEBEYMTXFM-DOTOQJQBSA-N 2 2 342.443 1.837 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001032833334 709798276 /nfs/dbraw/zinc/79/82/76/709798276.db2.gz UCCJZJQSMQIHEF-YLXGYYMFSA-N 2 2 343.471 1.611 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](C/C=C/c3ccccc3)C2)C1 ZINC001032833334 709798279 /nfs/dbraw/zinc/79/82/79/709798279.db2.gz UCCJZJQSMQIHEF-YLXGYYMFSA-N 2 2 343.471 1.611 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](C/C=C/c3ccccc3)C2)C1 ZINC001032833334 709798281 /nfs/dbraw/zinc/79/82/81/709798281.db2.gz UCCJZJQSMQIHEF-YLXGYYMFSA-N 2 2 343.471 1.611 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)C1 ZINC001032833334 709798285 /nfs/dbraw/zinc/79/82/85/709798285.db2.gz UCCJZJQSMQIHEF-YLXGYYMFSA-N 2 2 343.471 1.611 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378096 709899163 /nfs/dbraw/zinc/89/91/63/709899163.db2.gz PVTSNVHCCCORHW-INIZCTEOSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378096 709899169 /nfs/dbraw/zinc/89/91/69/709899169.db2.gz PVTSNVHCCCORHW-INIZCTEOSA-N 2 2 334.464 1.796 20 0 EDADLP C[C@H](c1nncn1C)[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384659 709912092 /nfs/dbraw/zinc/91/20/92/709912092.db2.gz GDPZYFJYNNOZHW-ZBFHGGJFSA-N 2 2 348.495 1.189 20 0 EDADLP C[C@H](c1nncn1C)[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384659 709912096 /nfs/dbraw/zinc/91/20/96/709912096.db2.gz GDPZYFJYNNOZHW-ZBFHGGJFSA-N 2 2 348.495 1.189 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC001034387138 709916151 /nfs/dbraw/zinc/91/61/51/709916151.db2.gz WEQKGYVGTITPJJ-KRWDZBQOSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC001034387138 709916154 /nfs/dbraw/zinc/91/61/54/709916154.db2.gz WEQKGYVGTITPJJ-KRWDZBQOSA-N 2 2 347.507 1.541 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)C12CCC[NH+](CCC1)C2 ZINC001003129869 710029103 /nfs/dbraw/zinc/02/91/03/710029103.db2.gz JYHCKQDPNRTPKM-UHFFFAOYSA-N 2 2 332.448 1.631 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)nn1C ZINC001003158959 710067497 /nfs/dbraw/zinc/06/74/97/710067497.db2.gz KPFKWNXXZGVREG-QGZVFWFLSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)nn1C ZINC001003158959 710067499 /nfs/dbraw/zinc/06/74/99/710067499.db2.gz KPFKWNXXZGVREG-QGZVFWFLSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003168007 710079778 /nfs/dbraw/zinc/07/97/78/710079778.db2.gz QTGWJMOTERWZHY-DOMZBBRYSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003168007 710079782 /nfs/dbraw/zinc/07/97/82/710079782.db2.gz QTGWJMOTERWZHY-DOMZBBRYSA-N 2 2 335.452 1.504 20 0 EDADLP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001003178983 710094755 /nfs/dbraw/zinc/09/47/55/710094755.db2.gz CPHGTUZMZMAPJS-INIZCTEOSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001003185578 710101563 /nfs/dbraw/zinc/10/15/63/710101563.db2.gz UFBGILDRHNUVTI-HOTGVXAUSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)sn1 ZINC001034485282 710130530 /nfs/dbraw/zinc/13/05/30/710130530.db2.gz QOMVXSUZXQVNMU-CQSZACIVSA-N 2 2 347.488 1.898 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)sn1 ZINC001034485282 710130535 /nfs/dbraw/zinc/13/05/35/710130535.db2.gz QOMVXSUZXQVNMU-CQSZACIVSA-N 2 2 347.488 1.898 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485714 710131320 /nfs/dbraw/zinc/13/13/20/710131320.db2.gz TZCWSRHXTREWPQ-GJZGRUSLSA-N 2 2 342.447 1.485 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485714 710131321 /nfs/dbraw/zinc/13/13/21/710131321.db2.gz TZCWSRHXTREWPQ-GJZGRUSLSA-N 2 2 342.447 1.485 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525211 710174997 /nfs/dbraw/zinc/17/49/97/710174997.db2.gz KJNNAFAMXYBPKU-HZPDHXFCSA-N 2 2 345.491 1.252 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525211 710174999 /nfs/dbraw/zinc/17/49/99/710174999.db2.gz KJNNAFAMXYBPKU-HZPDHXFCSA-N 2 2 345.491 1.252 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525211 710175000 /nfs/dbraw/zinc/17/50/00/710175000.db2.gz KJNNAFAMXYBPKU-HZPDHXFCSA-N 2 2 345.491 1.252 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525211 710175001 /nfs/dbraw/zinc/17/50/01/710175001.db2.gz KJNNAFAMXYBPKU-HZPDHXFCSA-N 2 2 345.491 1.252 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC001034529317 710183641 /nfs/dbraw/zinc/18/36/41/710183641.db2.gz YHPXPVQREFHDTK-CQSZACIVSA-N 2 2 336.436 1.250 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC001034529317 710183644 /nfs/dbraw/zinc/18/36/44/710183644.db2.gz YHPXPVQREFHDTK-CQSZACIVSA-N 2 2 336.436 1.250 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034529114 710183881 /nfs/dbraw/zinc/18/38/81/710183881.db2.gz XMBGWOSKNYURIK-DLBZAZTESA-N 2 2 345.491 1.913 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034529114 710183884 /nfs/dbraw/zinc/18/38/84/710183884.db2.gz XMBGWOSKNYURIK-DLBZAZTESA-N 2 2 345.491 1.913 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)co1 ZINC001003375267 710293436 /nfs/dbraw/zinc/29/34/36/710293436.db2.gz LFZBWABGUBUZSL-SFHVURJKSA-N 2 2 346.475 1.938 20 0 EDADLP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001003604923 710445569 /nfs/dbraw/zinc/44/55/69/710445569.db2.gz BZFSNDYZPBYYKW-MRXNPFEDSA-N 2 2 346.475 1.837 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001003625661 710454834 /nfs/dbraw/zinc/45/48/34/710454834.db2.gz IOWOKSUTNURAGC-CQSZACIVSA-N 2 2 346.475 1.974 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001003625661 710454835 /nfs/dbraw/zinc/45/48/35/710454835.db2.gz IOWOKSUTNURAGC-CQSZACIVSA-N 2 2 346.475 1.974 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)co1 ZINC001003630709 710459944 /nfs/dbraw/zinc/45/99/44/710459944.db2.gz NPAZVHYLCPLZSY-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)co1 ZINC001003630709 710459945 /nfs/dbraw/zinc/45/99/45/710459945.db2.gz NPAZVHYLCPLZSY-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001003652448 710469931 /nfs/dbraw/zinc/46/99/31/710469931.db2.gz NKIBGPSMQRWOIT-BRWVUGGUSA-N 2 2 346.475 1.673 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003721427 710513550 /nfs/dbraw/zinc/51/35/50/710513550.db2.gz ZJQKGEAGGQWJPZ-UHFFFAOYSA-N 2 2 344.463 1.521 20 0 EDADLP CNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001005583301 710625257 /nfs/dbraw/zinc/62/52/57/710625257.db2.gz HWEUUMJZBMVMHK-LBPRGKRZSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001034679220 710661181 /nfs/dbraw/zinc/66/11/81/710661181.db2.gz TXQVRXWPHKIDOW-QAETUUGQSA-N 2 2 346.475 1.499 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC001034692636 710781863 /nfs/dbraw/zinc/78/18/63/710781863.db2.gz LWNPOJXHZSTFKA-HDJSIYSDSA-N 2 2 346.435 1.354 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ncccn3)CC2)CC1 ZINC001003892800 710838474 /nfs/dbraw/zinc/83/84/74/710838474.db2.gz VIHLGOPNGLEBID-UHFFFAOYSA-N 2 2 345.491 1.678 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960357 710968530 /nfs/dbraw/zinc/96/85/30/710968530.db2.gz REYLEWQVWPGWLZ-DLBZAZTESA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960357 710968534 /nfs/dbraw/zinc/96/85/34/710968534.db2.gz REYLEWQVWPGWLZ-DLBZAZTESA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960357 710968539 /nfs/dbraw/zinc/96/85/39/710968539.db2.gz REYLEWQVWPGWLZ-DLBZAZTESA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960357 710968545 /nfs/dbraw/zinc/96/85/45/710968545.db2.gz REYLEWQVWPGWLZ-DLBZAZTESA-N 2 2 347.507 1.765 20 0 EDADLP CC(C)c1ocnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959205 710984145 /nfs/dbraw/zinc/98/41/45/710984145.db2.gz FQSAFMZOTFNZSO-HOCLYGCPSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032959205 710984148 /nfs/dbraw/zinc/98/41/48/710984148.db2.gz FQSAFMZOTFNZSO-HOCLYGCPSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032959205 710984153 /nfs/dbraw/zinc/98/41/53/710984153.db2.gz FQSAFMZOTFNZSO-HOCLYGCPSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032959205 710984154 /nfs/dbraw/zinc/98/41/54/710984154.db2.gz FQSAFMZOTFNZSO-HOCLYGCPSA-N 2 2 334.464 1.925 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034764181 711038612 /nfs/dbraw/zinc/03/86/12/711038612.db2.gz PPEBJYJXQZMFCI-SHTZXODSSA-N 2 2 330.436 1.211 20 0 EDADLP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001034776632 711053513 /nfs/dbraw/zinc/05/35/13/711053513.db2.gz VMTPDLPCQIIPOV-SHTZXODSSA-N 2 2 331.420 1.476 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034785997 711088857 /nfs/dbraw/zinc/08/88/57/711088857.db2.gz GTGYVFBGNIIJEY-HDJSIYSDSA-N 2 2 328.420 1.268 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034786691 711091322 /nfs/dbraw/zinc/09/13/22/711091322.db2.gz RFNOBBRWOPRFEF-SHTZXODSSA-N 2 2 344.463 1.254 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC001032977836 711095681 /nfs/dbraw/zinc/09/56/81/711095681.db2.gz VEKRAFLGJAPLMI-BDJRERGKSA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001032977836 711095682 /nfs/dbraw/zinc/09/56/82/711095682.db2.gz VEKRAFLGJAPLMI-BDJRERGKSA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC001032977836 711095683 /nfs/dbraw/zinc/09/56/83/711095683.db2.gz VEKRAFLGJAPLMI-BDJRERGKSA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC001032977836 711095684 /nfs/dbraw/zinc/09/56/84/711095684.db2.gz VEKRAFLGJAPLMI-BDJRERGKSA-N 2 2 343.471 1.563 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001003970430 711119766 /nfs/dbraw/zinc/11/97/66/711119766.db2.gz GBBGZLZTNRFWGF-GXTWGEPZSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003970430 711119768 /nfs/dbraw/zinc/11/97/68/711119768.db2.gz GBBGZLZTNRFWGF-GXTWGEPZSA-N 2 2 335.452 1.361 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799536 711136001 /nfs/dbraw/zinc/13/60/01/711136001.db2.gz JMZKDXZPDNQHGZ-SHTZXODSSA-N 2 2 330.436 1.317 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC001003967221 711137701 /nfs/dbraw/zinc/13/77/01/711137701.db2.gz JTNCYICZKMPLSV-MAUKXSAKSA-N 2 2 347.507 1.621 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC001034801260 711141140 /nfs/dbraw/zinc/14/11/40/711141140.db2.gz JKGLEZMVOOEEPR-KONPQCLYSA-N 2 2 332.448 1.327 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001034881493 711282127 /nfs/dbraw/zinc/28/21/27/711282127.db2.gz JEIVVWREKWYMMM-ZIAGYGMSSA-N 2 2 333.436 1.122 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001034881493 711282129 /nfs/dbraw/zinc/28/21/29/711282129.db2.gz JEIVVWREKWYMMM-ZIAGYGMSSA-N 2 2 333.436 1.122 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1C[NH2+]C[C@H]1CCOC1 ZINC001034943701 711397622 /nfs/dbraw/zinc/39/76/22/711397622.db2.gz JIQWBRFABBJBTJ-NVXWUHKLSA-N 2 2 346.475 1.379 20 0 EDADLP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1)C1CCC1 ZINC001034957857 711430624 /nfs/dbraw/zinc/43/06/24/711430624.db2.gz MBCFQAVTXPFKJO-OAHLLOKOSA-N 2 2 346.479 1.247 20 0 EDADLP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)[nH]1)C1CCC1 ZINC001034957857 711430626 /nfs/dbraw/zinc/43/06/26/711430626.db2.gz MBCFQAVTXPFKJO-OAHLLOKOSA-N 2 2 346.479 1.247 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922398277 711474678 /nfs/dbraw/zinc/47/46/78/711474678.db2.gz UROXHLILYVAFJO-GJZGRUSLSA-N 2 2 349.504 1.598 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922398277 711474680 /nfs/dbraw/zinc/47/46/80/711474680.db2.gz UROXHLILYVAFJO-GJZGRUSLSA-N 2 2 349.504 1.598 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004470179 711846728 /nfs/dbraw/zinc/84/67/28/711846728.db2.gz ROVVGLIBUGNFDK-KRWDZBQOSA-N 2 2 347.459 1.328 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004470179 711846730 /nfs/dbraw/zinc/84/67/30/711846730.db2.gz ROVVGLIBUGNFDK-KRWDZBQOSA-N 2 2 347.459 1.328 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033125219 711875476 /nfs/dbraw/zinc/87/54/76/711875476.db2.gz BAVOEPUXOFMDCA-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033125219 711875479 /nfs/dbraw/zinc/87/54/79/711875479.db2.gz BAVOEPUXOFMDCA-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033125219 711875480 /nfs/dbraw/zinc/87/54/80/711875480.db2.gz BAVOEPUXOFMDCA-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033125219 711875482 /nfs/dbraw/zinc/87/54/82/711875482.db2.gz BAVOEPUXOFMDCA-ZWKOTPCHSA-N 2 2 345.491 1.692 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)no1 ZINC001033144416 711978873 /nfs/dbraw/zinc/97/88/73/711978873.db2.gz WXYXDBFWIKKSTA-SJLPKXTDSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)no1 ZINC001033144416 711978874 /nfs/dbraw/zinc/97/88/74/711978874.db2.gz WXYXDBFWIKKSTA-SJLPKXTDSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)no1 ZINC001033144416 711978875 /nfs/dbraw/zinc/97/88/75/711978875.db2.gz WXYXDBFWIKKSTA-SJLPKXTDSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)no1 ZINC001033144416 711978876 /nfs/dbraw/zinc/97/88/76/711978876.db2.gz WXYXDBFWIKKSTA-SJLPKXTDSA-N 2 2 348.491 1.994 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@H]2CCC[N@@H+]2Cc2ccon2)CC1 ZINC001004626674 712084010 /nfs/dbraw/zinc/08/40/10/712084010.db2.gz RZYIEKYCAFUSGR-QGZVFWFLSA-N 2 2 343.431 1.774 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@H]2CCC[N@H+]2Cc2ccon2)CC1 ZINC001004626674 712084012 /nfs/dbraw/zinc/08/40/12/712084012.db2.gz RZYIEKYCAFUSGR-QGZVFWFLSA-N 2 2 343.431 1.774 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H](C)[NH+]3CC(C)C3)CC2)oc1C ZINC000557595739 306230248 /nfs/dbraw/zinc/23/02/48/306230248.db2.gz JNEXVYGDUNWHSN-OAHLLOKOSA-N 2 2 348.491 1.960 20 0 EDADLP Cc1noc(C)c1CCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050802670 214070787 /nfs/dbraw/zinc/07/07/87/214070787.db2.gz GCPTUECGSPRGAN-UHFFFAOYSA-N 2 2 348.491 1.899 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000557683517 306233186 /nfs/dbraw/zinc/23/31/86/306233186.db2.gz QIHNUIXCRSRMDH-OAHLLOKOSA-N 2 2 328.420 1.884 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000557683517 306233187 /nfs/dbraw/zinc/23/31/87/306233187.db2.gz QIHNUIXCRSRMDH-OAHLLOKOSA-N 2 2 328.420 1.884 20 0 EDADLP COCC[NH+]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000053997157 214210076 /nfs/dbraw/zinc/21/00/76/214210076.db2.gz PEDDZSQWXSPGKF-UHFFFAOYSA-N 2 2 345.447 1.318 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[NH+](CC(C)C)CC1)[NH+]1CCOCC1 ZINC000359068337 282249706 /nfs/dbraw/zinc/24/97/06/282249706.db2.gz GFQPEXUJSOTTAA-GOSISDBHSA-N 2 2 339.524 1.924 20 0 EDADLP CCC(CC)[C@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000346159455 282273717 /nfs/dbraw/zinc/27/37/17/282273717.db2.gz XGNPNBPVVGOKQU-HNNXBMFYSA-N 2 2 336.480 1.941 20 0 EDADLP C[N@H+](C[C@H](O)C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000181735237 529959202 /nfs/dbraw/zinc/95/92/02/529959202.db2.gz JEXCDCREBHQJJU-HNNXBMFYSA-N 2 2 331.382 1.944 20 0 EDADLP C[N@@H+](C[C@H](O)C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000181735237 529959204 /nfs/dbraw/zinc/95/92/04/529959204.db2.gz JEXCDCREBHQJJU-HNNXBMFYSA-N 2 2 331.382 1.944 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000559854939 306259120 /nfs/dbraw/zinc/25/91/20/306259120.db2.gz LVLXAOCJILWNOO-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000559854939 306259121 /nfs/dbraw/zinc/25/91/21/306259121.db2.gz LVLXAOCJILWNOO-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000348110086 282351744 /nfs/dbraw/zinc/35/17/44/282351744.db2.gz BHJFKVKUMOMFIN-KBPBESRZSA-N 2 2 339.459 1.179 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC(=O)NC(C)(C)C ZINC000348110086 282351746 /nfs/dbraw/zinc/35/17/46/282351746.db2.gz BHJFKVKUMOMFIN-KBPBESRZSA-N 2 2 339.459 1.179 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177996566 232053043 /nfs/dbraw/zinc/05/30/43/232053043.db2.gz GSNGYPMWWURVBQ-CABCVRRESA-N 2 2 337.489 1.488 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177996566 232053046 /nfs/dbraw/zinc/05/30/46/232053046.db2.gz GSNGYPMWWURVBQ-CABCVRRESA-N 2 2 337.489 1.488 20 0 EDADLP COc1ccc(OC)c(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000560516045 306272984 /nfs/dbraw/zinc/27/29/84/306272984.db2.gz GALCNEGYLSPCPI-LZWOXQAQSA-N 2 2 338.448 1.264 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000433245183 539557203 /nfs/dbraw/zinc/55/72/03/539557203.db2.gz KRNVJLZLXNZJKE-LZWOXQAQSA-N 2 2 337.468 1.670 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105166697 299144978 /nfs/dbraw/zinc/14/49/78/299144978.db2.gz PNADHIXNTRCTAX-GJZGRUSLSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[NH+]3CC(C)(C)C3)c[nH+]2)CCO1 ZINC000561156139 306283050 /nfs/dbraw/zinc/28/30/50/306283050.db2.gz LBIPGBHXTHOTPM-CQSZACIVSA-N 2 2 332.448 1.265 20 0 EDADLP Cc1nccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000154339570 539625417 /nfs/dbraw/zinc/62/54/17/539625417.db2.gz VUAWFHZWXNHTIK-XYPWUTKMSA-N 2 2 329.448 1.168 20 0 EDADLP Cc1nccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000154339570 539625420 /nfs/dbraw/zinc/62/54/20/539625420.db2.gz VUAWFHZWXNHTIK-XYPWUTKMSA-N 2 2 329.448 1.168 20 0 EDADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333886498 539657594 /nfs/dbraw/zinc/65/75/94/539657594.db2.gz VZNQOVSXLGMUNR-USCDJENESA-N 2 2 335.492 1.510 20 0 EDADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333886498 539657598 /nfs/dbraw/zinc/65/75/98/539657598.db2.gz VZNQOVSXLGMUNR-USCDJENESA-N 2 2 335.492 1.510 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(NC(C)=O)c2)CC1 ZINC000103492207 219307321 /nfs/dbraw/zinc/30/73/21/219307321.db2.gz ZQQJJEROMHTCDG-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP O=C(C[N@H+]1CCCCC[C@H]1CCO)N1CC[NH+](Cc2ccco2)CC1 ZINC000342055198 539755846 /nfs/dbraw/zinc/75/58/46/539755846.db2.gz ZBJLTXCEGHLTNK-KRWDZBQOSA-N 2 2 349.475 1.551 20 0 EDADLP O=C(C[N@@H+]1CCCCC[C@H]1CCO)N1CC[NH+](Cc2ccco2)CC1 ZINC000342055198 539755851 /nfs/dbraw/zinc/75/58/51/539755851.db2.gz ZBJLTXCEGHLTNK-KRWDZBQOSA-N 2 2 349.475 1.551 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982024 306291829 /nfs/dbraw/zinc/29/18/29/306291829.db2.gz IIIUPHITEABZMJ-NVXWUHKLSA-N 3 2 332.496 1.000 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982024 306291830 /nfs/dbraw/zinc/29/18/30/306291830.db2.gz IIIUPHITEABZMJ-NVXWUHKLSA-N 3 2 332.496 1.000 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982024 306291831 /nfs/dbraw/zinc/29/18/31/306291831.db2.gz IIIUPHITEABZMJ-NVXWUHKLSA-N 3 2 332.496 1.000 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000561982024 306291832 /nfs/dbraw/zinc/29/18/32/306291832.db2.gz IIIUPHITEABZMJ-NVXWUHKLSA-N 3 2 332.496 1.000 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000562259155 306293219 /nfs/dbraw/zinc/29/32/19/306293219.db2.gz KMIXXEZBJITEQB-HZPDHXFCSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000562259155 306293220 /nfs/dbraw/zinc/29/32/20/306293220.db2.gz KMIXXEZBJITEQB-HZPDHXFCSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000562259155 306293221 /nfs/dbraw/zinc/29/32/21/306293221.db2.gz KMIXXEZBJITEQB-HZPDHXFCSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000562259155 306293222 /nfs/dbraw/zinc/29/32/22/306293222.db2.gz KMIXXEZBJITEQB-HZPDHXFCSA-N 2 2 333.480 1.828 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c[nH+]1 ZINC000562789146 306309006 /nfs/dbraw/zinc/30/90/06/306309006.db2.gz ADPLSXLHRUIVIM-HZPDHXFCSA-N 2 2 331.464 1.679 20 0 EDADLP [NH3+][C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)c1cscn1 ZINC000562967102 306313879 /nfs/dbraw/zinc/31/38/79/306313879.db2.gz WUABMZYGQVICPA-UAGQMJEPSA-N 2 2 342.468 1.876 20 0 EDADLP [NH3+][C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1cscn1 ZINC000562967102 306313880 /nfs/dbraw/zinc/31/38/80/306313880.db2.gz WUABMZYGQVICPA-UAGQMJEPSA-N 2 2 342.468 1.876 20 0 EDADLP O=C(c1cccc(Cl)c1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000563155247 306320629 /nfs/dbraw/zinc/32/06/29/306320629.db2.gz YMUIBHKYNNQEQQ-UHFFFAOYSA-N 2 2 336.867 1.003 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC12CCOCC2 ZINC000563206336 306323463 /nfs/dbraw/zinc/32/34/63/306323463.db2.gz FDVSPSSVFOPPKM-CQSZACIVSA-N 2 2 328.416 1.091 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183252791 540136907 /nfs/dbraw/zinc/13/69/07/540136907.db2.gz RTFOXUJYFDJXCO-UHFFFAOYSA-N 2 2 338.455 1.975 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3ccc(Cl)c(F)c3)CCN2C1=O ZINC000563442750 306333470 /nfs/dbraw/zinc/33/34/70/306333470.db2.gz SVAKROCSDFOCAA-QMTHXVAHSA-N 2 2 327.787 1.102 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)CCN2C1=O ZINC000563442750 306333471 /nfs/dbraw/zinc/33/34/71/306333471.db2.gz SVAKROCSDFOCAA-QMTHXVAHSA-N 2 2 327.787 1.102 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000563560743 306338968 /nfs/dbraw/zinc/33/89/68/306338968.db2.gz XWHGAQDVZJRYCA-IRXDYDNUSA-N 2 2 332.448 1.111 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000093045922 138291248 /nfs/dbraw/zinc/29/12/48/138291248.db2.gz WFUQGFLRYSDJBB-UHFFFAOYSA-N 2 2 343.475 1.629 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000123669334 138320398 /nfs/dbraw/zinc/32/03/98/138320398.db2.gz MWIUBACGGMWYFP-SFHVURJKSA-N 2 2 346.475 1.282 20 0 EDADLP O=C(Cc1cccc(F)c1)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000131612227 138362823 /nfs/dbraw/zinc/36/28/23/138362823.db2.gz NNPLMMAIWLMXEZ-UHFFFAOYSA-N 2 2 330.407 1.799 20 0 EDADLP O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000131612227 138362825 /nfs/dbraw/zinc/36/28/25/138362825.db2.gz NNPLMMAIWLMXEZ-UHFFFAOYSA-N 2 2 330.407 1.799 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CCn3cc[nH+]c3)C2=O)c1 ZINC000132030773 138370350 /nfs/dbraw/zinc/37/03/50/138370350.db2.gz WAVVEKHCVIEOAW-KRWDZBQOSA-N 2 2 344.415 1.638 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CCn3cc[nH+]c3)C2=O)c1 ZINC000132030773 138370352 /nfs/dbraw/zinc/37/03/52/138370352.db2.gz WAVVEKHCVIEOAW-KRWDZBQOSA-N 2 2 344.415 1.638 20 0 EDADLP COc1c(N)[nH+]cnc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000563730901 306346338 /nfs/dbraw/zinc/34/63/38/306346338.db2.gz KFIMRIZUVSYMSS-GFCCVEGCSA-N 2 2 328.420 1.984 20 0 EDADLP COc1c(N)nc[nH+]c1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000563730901 306346339 /nfs/dbraw/zinc/34/63/39/306346339.db2.gz KFIMRIZUVSYMSS-GFCCVEGCSA-N 2 2 328.420 1.984 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)Nc1cc(F)cc(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000563853691 306349670 /nfs/dbraw/zinc/34/96/70/306349670.db2.gz UIZDSIAUXWYZDD-HZPDHXFCSA-N 2 2 348.422 1.891 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)Nc1cc(F)cc(NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000563853691 306349671 /nfs/dbraw/zinc/34/96/71/306349671.db2.gz UIZDSIAUXWYZDD-HZPDHXFCSA-N 2 2 348.422 1.891 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563945093 306352763 /nfs/dbraw/zinc/35/27/63/306352763.db2.gz PBINHNXABYYGID-LJQANCHMSA-N 2 2 343.475 1.967 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000413844130 304080174 /nfs/dbraw/zinc/08/01/74/304080174.db2.gz LFSNDQUWGPCYHE-ULQDDVLXSA-N 2 2 338.540 1.780 20 0 EDADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180784609 138761885 /nfs/dbraw/zinc/76/18/85/138761885.db2.gz CUBPNXPISOPBDG-XHSDSOJGSA-N 2 2 347.463 1.049 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)C1CC1 ZINC000564793582 306365020 /nfs/dbraw/zinc/36/50/20/306365020.db2.gz QURQDCRHOKBBPQ-UKRRQHHQSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)C1CC1 ZINC000564793582 306365021 /nfs/dbraw/zinc/36/50/21/306365021.db2.gz QURQDCRHOKBBPQ-UKRRQHHQSA-N 2 2 337.851 1.490 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000564850359 306367471 /nfs/dbraw/zinc/36/74/71/306367471.db2.gz XOCGOHITMKIPPN-VNHYZAJKSA-N 2 2 326.412 1.394 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000564850359 306367472 /nfs/dbraw/zinc/36/74/72/306367472.db2.gz XOCGOHITMKIPPN-VNHYZAJKSA-N 2 2 326.412 1.394 20 0 EDADLP [NH3+]CC1(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000564891764 306368592 /nfs/dbraw/zinc/36/85/92/306368592.db2.gz GNNGDPZGFCTGBL-UHFFFAOYSA-N 2 2 345.443 1.231 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1 ZINC000565161920 306376809 /nfs/dbraw/zinc/37/68/09/306376809.db2.gz JAARZWBZQPXNJB-UHFFFAOYSA-N 2 2 346.475 1.957 20 0 EDADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)C1=O ZINC000414104256 304100384 /nfs/dbraw/zinc/10/03/84/304100384.db2.gz FKBBMYCMLGHJCG-OAHLLOKOSA-N 2 2 335.835 1.387 20 0 EDADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCc3cccc(Cl)c3C2)C1=O ZINC000414104256 304100385 /nfs/dbraw/zinc/10/03/85/304100385.db2.gz FKBBMYCMLGHJCG-OAHLLOKOSA-N 2 2 335.835 1.387 20 0 EDADLP Cc1ccc(NC(=O)CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)nc1 ZINC000565720378 306390029 /nfs/dbraw/zinc/39/00/29/306390029.db2.gz PWTBEXZJGPTRBO-UHFFFAOYSA-N 2 2 346.475 1.545 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000414352525 304110400 /nfs/dbraw/zinc/11/04/00/304110400.db2.gz XAYYENIKTWESDL-CZUORRHYSA-N 2 2 333.432 1.874 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000414352525 304110402 /nfs/dbraw/zinc/11/04/02/304110402.db2.gz XAYYENIKTWESDL-CZUORRHYSA-N 2 2 333.432 1.874 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1CCOC ZINC000565836119 306393056 /nfs/dbraw/zinc/39/30/56/306393056.db2.gz MQFHGALZKZPPLR-MOPGFXCFSA-N 2 2 345.487 1.660 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000566017384 306396765 /nfs/dbraw/zinc/39/67/65/306396765.db2.gz RASLDHHBJWYEIQ-UHFFFAOYSA-N 2 2 338.406 1.762 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)[C@H](C[NH3+])C1 ZINC000566071125 306397864 /nfs/dbraw/zinc/39/78/64/306397864.db2.gz MRAJOWQIEWKERR-OAHLLOKOSA-N 2 2 348.447 1.593 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)[C@H](C[NH3+])C1 ZINC000566071125 306397865 /nfs/dbraw/zinc/39/78/65/306397865.db2.gz MRAJOWQIEWKERR-OAHLLOKOSA-N 2 2 348.447 1.593 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)N1CCSCC1 ZINC000125131041 296110235 /nfs/dbraw/zinc/11/02/35/296110235.db2.gz SGOQYLKEHXAFHH-MRXNPFEDSA-N 2 2 325.522 1.902 20 0 EDADLP O=C([C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1)N1CCSCC1 ZINC000125131041 296110237 /nfs/dbraw/zinc/11/02/37/296110237.db2.gz SGOQYLKEHXAFHH-MRXNPFEDSA-N 2 2 325.522 1.902 20 0 EDADLP Cn1c(C[NH2+]C[C@H]2C[NH2+]CCO2)nc2cc(C(F)(F)F)ccc21 ZINC000415098199 304159534 /nfs/dbraw/zinc/15/95/34/304159534.db2.gz VCQXGPVIFKUCIQ-LLVKDONJSA-N 2 2 328.338 1.670 20 0 EDADLP Cc1nn(C)cc1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415126889 304162291 /nfs/dbraw/zinc/16/22/91/304162291.db2.gz HFSVFUUNQDRMGU-UHFFFAOYSA-N 3 2 327.476 1.812 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000236830557 139032914 /nfs/dbraw/zinc/03/29/14/139032914.db2.gz LOKFOWQLQAVCFB-HOTGVXAUSA-N 2 2 339.867 1.828 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000236884779 139034127 /nfs/dbraw/zinc/03/41/27/139034127.db2.gz LOLVRFMELZAPNO-HNNXBMFYSA-N 2 2 331.464 1.699 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000236979477 139036924 /nfs/dbraw/zinc/03/69/24/139036924.db2.gz ASOKQBLQGZKUKK-IAGOWNOFSA-N 2 2 331.460 1.857 20 0 EDADLP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CSC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202777 139044151 /nfs/dbraw/zinc/04/41/51/139044151.db2.gz PRAOHVACOOLQKH-DLBZAZTESA-N 2 2 348.516 1.144 20 0 EDADLP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CSC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202777 139044152 /nfs/dbraw/zinc/04/41/52/139044152.db2.gz PRAOHVACOOLQKH-DLBZAZTESA-N 2 2 348.516 1.144 20 0 EDADLP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CSC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202777 139044153 /nfs/dbraw/zinc/04/41/53/139044153.db2.gz PRAOHVACOOLQKH-DLBZAZTESA-N 2 2 348.516 1.144 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)CCC[NH3+])c2[nH+]ccn2C)c1 ZINC000237222711 139044980 /nfs/dbraw/zinc/04/49/80/139044980.db2.gz OIZCPTWDBVEXJQ-INIZCTEOSA-N 2 2 332.404 1.382 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cc1F ZINC000237300512 139046936 /nfs/dbraw/zinc/04/69/36/139046936.db2.gz AOTSHLDZRXGWFJ-IBGZPJMESA-N 2 2 349.450 1.868 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000079506895 217236776 /nfs/dbraw/zinc/23/67/76/217236776.db2.gz IULRSZQGSDCYFF-CQSZACIVSA-N 2 2 336.505 1.842 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000079506895 217236780 /nfs/dbraw/zinc/23/67/80/217236780.db2.gz IULRSZQGSDCYFF-CQSZACIVSA-N 2 2 336.505 1.842 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297732 284347520 /nfs/dbraw/zinc/34/75/20/284347520.db2.gz NAZUJBDRVRKKKA-PKOBYXMFSA-N 3 2 346.519 1.679 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297732 284347522 /nfs/dbraw/zinc/34/75/22/284347522.db2.gz NAZUJBDRVRKKKA-PKOBYXMFSA-N 3 2 346.519 1.679 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297732 284347524 /nfs/dbraw/zinc/34/75/24/284347524.db2.gz NAZUJBDRVRKKKA-PKOBYXMFSA-N 3 2 346.519 1.679 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297732 284347526 /nfs/dbraw/zinc/34/75/26/284347526.db2.gz NAZUJBDRVRKKKA-PKOBYXMFSA-N 3 2 346.519 1.679 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000496154297 284348864 /nfs/dbraw/zinc/34/88/64/284348864.db2.gz WWTSXVJFPIFWJI-HNNXBMFYSA-N 2 2 333.432 1.314 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000496154297 284348865 /nfs/dbraw/zinc/34/88/65/284348865.db2.gz WWTSXVJFPIFWJI-HNNXBMFYSA-N 2 2 333.432 1.314 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000496154297 284348866 /nfs/dbraw/zinc/34/88/66/284348866.db2.gz WWTSXVJFPIFWJI-HNNXBMFYSA-N 2 2 333.432 1.314 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000496154297 284348867 /nfs/dbraw/zinc/34/88/67/284348867.db2.gz WWTSXVJFPIFWJI-HNNXBMFYSA-N 2 2 333.432 1.314 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)c[nH+]2)CCO1 ZINC000237441064 139051266 /nfs/dbraw/zinc/05/12/66/139051266.db2.gz PYDSJAHXCBAGOS-KDOFPFPSSA-N 2 2 340.427 1.623 20 0 EDADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000111445751 220157034 /nfs/dbraw/zinc/15/70/34/220157034.db2.gz YZIABUUBDVTNTH-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000111445751 220157036 /nfs/dbraw/zinc/15/70/36/220157036.db2.gz YZIABUUBDVTNTH-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)CC2CC[NH2+]CC2)[NH+]2CCOCC2)c1 ZINC000237782602 139060193 /nfs/dbraw/zinc/06/01/93/139060193.db2.gz RSBHMMQXTLLCBP-LJQANCHMSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C2CC[NH2+]CC2)[NH+]2CCOCC2)c1 ZINC000237782515 139060283 /nfs/dbraw/zinc/06/02/83/139060283.db2.gz ZWODWUJLOIXXJT-GOSISDBHSA-N 2 2 331.460 1.484 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3C[NH+](C)CCO3)n2)C1 ZINC000081283902 217377756 /nfs/dbraw/zinc/37/77/56/217377756.db2.gz WTNKULHECFFVOL-JSGCOSHPSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3C[NH+](C)CCO3)n2)C1 ZINC000081283902 217377757 /nfs/dbraw/zinc/37/77/57/217377757.db2.gz WTNKULHECFFVOL-JSGCOSHPSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3C[N@H+](C)CCO3)n2)C1 ZINC000081283902 217377760 /nfs/dbraw/zinc/37/77/60/217377760.db2.gz WTNKULHECFFVOL-JSGCOSHPSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)n2)C1 ZINC000081283902 217377761 /nfs/dbraw/zinc/37/77/61/217377761.db2.gz WTNKULHECFFVOL-JSGCOSHPSA-N 2 2 338.477 1.644 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000245420919 139073601 /nfs/dbraw/zinc/07/36/01/139073601.db2.gz HROUTJNFIJFFQQ-GOEBONIOSA-N 2 2 347.459 1.694 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000245420919 139073602 /nfs/dbraw/zinc/07/36/02/139073602.db2.gz HROUTJNFIJFFQQ-GOEBONIOSA-N 2 2 347.459 1.694 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000245420919 139073603 /nfs/dbraw/zinc/07/36/03/139073603.db2.gz HROUTJNFIJFFQQ-GOEBONIOSA-N 2 2 347.459 1.694 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000245420919 139073604 /nfs/dbraw/zinc/07/36/04/139073604.db2.gz HROUTJNFIJFFQQ-GOEBONIOSA-N 2 2 347.459 1.694 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000245449092 139075451 /nfs/dbraw/zinc/07/54/51/139075451.db2.gz NJQPVZAYVMBCMR-KGLIPLIRSA-N 2 2 326.485 1.663 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000245449092 139075452 /nfs/dbraw/zinc/07/54/52/139075452.db2.gz NJQPVZAYVMBCMR-KGLIPLIRSA-N 2 2 326.485 1.663 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415315206 304192723 /nfs/dbraw/zinc/19/27/23/304192723.db2.gz LJWMLDQIIWPCLS-CYBMUJFWSA-N 2 2 335.452 1.866 20 0 EDADLP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000266031265 248047799 /nfs/dbraw/zinc/04/77/99/248047799.db2.gz RRVLXQBJWJSIQF-GUYCJALGSA-N 2 2 326.387 1.652 20 0 EDADLP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000266031265 248047802 /nfs/dbraw/zinc/04/78/02/248047802.db2.gz RRVLXQBJWJSIQF-GUYCJALGSA-N 2 2 326.387 1.652 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H](C)C1 ZINC000247136419 139137305 /nfs/dbraw/zinc/13/73/05/139137305.db2.gz RXYFTUBGVVSZTM-RYQLBKOJSA-N 2 2 333.476 1.940 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)[C@@H](C)C1 ZINC000247136419 139137306 /nfs/dbraw/zinc/13/73/06/139137306.db2.gz RXYFTUBGVVSZTM-RYQLBKOJSA-N 2 2 333.476 1.940 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000247235634 139141715 /nfs/dbraw/zinc/14/17/15/139141715.db2.gz RQLYSKPGXXASIB-ZIAGYGMSSA-N 2 2 328.420 1.900 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000247235634 139141716 /nfs/dbraw/zinc/14/17/16/139141716.db2.gz RQLYSKPGXXASIB-ZIAGYGMSSA-N 2 2 328.420 1.900 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000247604083 139152936 /nfs/dbraw/zinc/15/29/36/139152936.db2.gz LKYURRXXZBVHQS-IAGOWNOFSA-N 2 2 339.528 1.138 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000247604083 139152937 /nfs/dbraw/zinc/15/29/37/139152937.db2.gz LKYURRXXZBVHQS-IAGOWNOFSA-N 2 2 339.528 1.138 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247964438 139156445 /nfs/dbraw/zinc/15/64/45/139156445.db2.gz GPUHKROPBTZIMC-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247964438 139156446 /nfs/dbraw/zinc/15/64/46/139156446.db2.gz GPUHKROPBTZIMC-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247964438 139156447 /nfs/dbraw/zinc/15/64/47/139156447.db2.gz GPUHKROPBTZIMC-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247964438 139156448 /nfs/dbraw/zinc/15/64/48/139156448.db2.gz GPUHKROPBTZIMC-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H]1C[C@H](N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1C ZINC000248014341 139157161 /nfs/dbraw/zinc/15/71/61/139157161.db2.gz LOMZUIYYXZNBNU-MDNKFWRPSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H](N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1C ZINC000248014341 139157162 /nfs/dbraw/zinc/15/71/62/139157162.db2.gz LOMZUIYYXZNBNU-MDNKFWRPSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H](N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1C ZINC000248014341 139157163 /nfs/dbraw/zinc/15/71/63/139157163.db2.gz LOMZUIYYXZNBNU-MDNKFWRPSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@@H+]1C ZINC000248014341 139157164 /nfs/dbraw/zinc/15/71/64/139157164.db2.gz LOMZUIYYXZNBNU-MDNKFWRPSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1C ZINC000248014341 139157165 /nfs/dbraw/zinc/15/71/65/139157165.db2.gz LOMZUIYYXZNBNU-MDNKFWRPSA-N 2 2 331.504 1.942 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)CC1 ZINC000248050469 139157652 /nfs/dbraw/zinc/15/76/52/139157652.db2.gz NRZHLEUZTFNHHE-IPMKNSEASA-N 2 2 342.487 1.650 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000568863985 306490791 /nfs/dbraw/zinc/49/07/91/306490791.db2.gz OPVCJZXATCRXBK-HUUCEWRRSA-N 2 2 338.452 1.249 20 0 EDADLP CCOCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000093316019 218213569 /nfs/dbraw/zinc/21/35/69/218213569.db2.gz DNGDJBIHFOGYNO-UHFFFAOYSA-N 2 2 333.476 1.608 20 0 EDADLP CCOCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000093316019 218213571 /nfs/dbraw/zinc/21/35/71/218213571.db2.gz DNGDJBIHFOGYNO-UHFFFAOYSA-N 2 2 333.476 1.608 20 0 EDADLP COc1cccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261611368 139210879 /nfs/dbraw/zinc/21/08/79/139210879.db2.gz ABQFZDQCHFJUKJ-UHFFFAOYSA-N 2 2 327.432 1.770 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000261797920 139226833 /nfs/dbraw/zinc/22/68/33/139226833.db2.gz VNOZSFYJMTXRNP-MRXNPFEDSA-N 2 2 325.840 1.506 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000261797920 139226834 /nfs/dbraw/zinc/22/68/34/139226834.db2.gz VNOZSFYJMTXRNP-MRXNPFEDSA-N 2 2 325.840 1.506 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)c1ccco1 ZINC000101660460 284821814 /nfs/dbraw/zinc/82/18/14/284821814.db2.gz KBJDCLOQMZQGJR-JKSUJKDBSA-N 2 2 336.480 1.415 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000261947210 139239192 /nfs/dbraw/zinc/23/91/92/139239192.db2.gz VVRNNJQRKNXJJU-CQSZACIVSA-N 2 2 336.867 1.566 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000261947210 139239193 /nfs/dbraw/zinc/23/91/93/139239193.db2.gz VVRNNJQRKNXJJU-CQSZACIVSA-N 2 2 336.867 1.566 20 0 EDADLP C[C@@]1(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)CC[NH2+]C1 ZINC000261975320 139241124 /nfs/dbraw/zinc/24/11/24/139241124.db2.gz IRVBRQMPFUKXIB-GOSISDBHSA-N 2 2 334.439 1.381 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000369944953 296311358 /nfs/dbraw/zinc/31/13/58/296311358.db2.gz UHEXFXXGHLXTBN-QGZVFWFLSA-N 2 2 336.524 1.537 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000369944953 296311361 /nfs/dbraw/zinc/31/13/61/296311361.db2.gz UHEXFXXGHLXTBN-QGZVFWFLSA-N 2 2 336.524 1.537 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)NCC3([NH3+])CCC3)cc2[nH+]c1C1CC1 ZINC000415553668 251008141 /nfs/dbraw/zinc/00/81/41/251008141.db2.gz BWOPVNMTENLKAG-UHFFFAOYSA-N 2 2 341.415 1.387 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000416988281 251119488 /nfs/dbraw/zinc/11/94/88/251119488.db2.gz CHKKVEVVFPWSSY-SJORKVTESA-N 2 2 332.448 1.111 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000417172803 251144581 /nfs/dbraw/zinc/14/45/81/251144581.db2.gz GHTGIIVKBVVFCM-MRXNPFEDSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417657000 251215780 /nfs/dbraw/zinc/21/57/80/251215780.db2.gz HEAFPWPMLGTWEH-HONMWMINSA-N 2 2 326.391 1.699 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000417690492 251230965 /nfs/dbraw/zinc/23/09/65/251230965.db2.gz LLKXXUKFWFQSQF-QGZVFWFLSA-N 2 2 331.395 1.715 20 0 EDADLP CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000262449820 139279776 /nfs/dbraw/zinc/27/97/76/139279776.db2.gz HRVZIAKZDPCECS-OAHLLOKOSA-N 2 2 325.478 1.511 20 0 EDADLP CCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000262449820 139279777 /nfs/dbraw/zinc/27/97/77/139279777.db2.gz HRVZIAKZDPCECS-OAHLLOKOSA-N 2 2 325.478 1.511 20 0 EDADLP C[C@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[NH2+]1 ZINC000417841253 251293627 /nfs/dbraw/zinc/29/36/27/251293627.db2.gz LTPICWHEROEPLS-HNNXBMFYSA-N 2 2 327.432 1.629 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418436956 251370761 /nfs/dbraw/zinc/37/07/61/251370761.db2.gz WZRFUKIONOEUDM-IRXDYDNUSA-N 2 2 331.464 1.426 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418525543 251375411 /nfs/dbraw/zinc/37/54/11/251375411.db2.gz PEHPNOLZDNIOEJ-UHFFFAOYSA-N 2 2 326.391 1.416 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cs1 ZINC000418716230 251394991 /nfs/dbraw/zinc/39/49/91/251394991.db2.gz ZNRILVNDSFMQNW-RYUDHWBXSA-N 2 2 325.482 1.405 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cs1 ZINC000418716230 251394995 /nfs/dbraw/zinc/39/49/95/251394995.db2.gz ZNRILVNDSFMQNW-RYUDHWBXSA-N 2 2 325.482 1.405 20 0 EDADLP C[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262564147 139286885 /nfs/dbraw/zinc/28/68/85/139286885.db2.gz BKNNSJWKVHNFNX-HZPDHXFCSA-N 2 2 348.466 1.452 20 0 EDADLP C[C@H](O)C[C@H](C)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262657959 139293684 /nfs/dbraw/zinc/29/36/84/139293684.db2.gz ZVNKRWCUPOKLIX-MPGHIAIKSA-N 2 2 344.459 1.324 20 0 EDADLP C[C@H](CNC(=O)c1coc(C[NH3+])c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000262780140 139303121 /nfs/dbraw/zinc/30/31/21/139303121.db2.gz KSFHACDEQMVZDG-OAHLLOKOSA-N 2 2 342.443 1.679 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262841403 139307237 /nfs/dbraw/zinc/30/72/37/139307237.db2.gz UAZYSEROPRIFNM-HUUCEWRRSA-N 2 2 340.431 1.211 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422876590 252007628 /nfs/dbraw/zinc/00/76/28/252007628.db2.gz GLEJUHQTDJYIIZ-ZFWWWQNUSA-N 2 2 335.448 1.440 20 0 EDADLP c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(N2CCCCC2)n1 ZINC000422894288 252015506 /nfs/dbraw/zinc/01/55/06/252015506.db2.gz BZCOWACTJFGKQR-MJGOQNOKSA-N 2 2 330.476 1.929 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000422860734 252003067 /nfs/dbraw/zinc/00/30/67/252003067.db2.gz MUAYEKYCJYPZNS-JKSUJKDBSA-N 3 2 325.497 1.629 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000422860734 252003072 /nfs/dbraw/zinc/00/30/72/252003072.db2.gz MUAYEKYCJYPZNS-JKSUJKDBSA-N 3 2 325.497 1.629 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000423178083 252043108 /nfs/dbraw/zinc/04/31/08/252043108.db2.gz JXQVCAAWNURJRL-ZDUSSCGKSA-N 2 2 325.478 1.907 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1S(C)(=O)=O ZINC000423356557 252052295 /nfs/dbraw/zinc/05/22/95/252052295.db2.gz GTQFGDRGCDELGM-OBJOEFQTSA-N 2 2 326.462 1.747 20 0 EDADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CCC[NH2+]1 ZINC000423413011 252053880 /nfs/dbraw/zinc/05/38/80/252053880.db2.gz JGBQQBJBHNTACK-BEFAXECRSA-N 2 2 333.476 1.784 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000422903837 252018666 /nfs/dbraw/zinc/01/86/66/252018666.db2.gz PBESVRDWRDOSHS-WBVHZDCISA-N 2 2 346.406 1.703 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422992455 252023086 /nfs/dbraw/zinc/02/30/86/252023086.db2.gz CMSXQGPVAXGWAG-NEPJUHHUSA-N 2 2 333.354 1.836 20 0 EDADLP [NH3+]C1CCC(OCC(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000423838109 252087503 /nfs/dbraw/zinc/08/75/03/252087503.db2.gz IFEIFRUIOSFQOJ-UHFFFAOYSA-N 2 2 328.416 1.979 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+]4CCOCC4)cn3)[C@@H]2C1 ZINC000425065605 252296932 /nfs/dbraw/zinc/29/69/32/252296932.db2.gz LVNJNBHXFVOCSW-FUHWJXTLSA-N 2 2 344.459 1.080 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+]4CCOCC4)cn3)[C@@H]2C1 ZINC000425065605 252296937 /nfs/dbraw/zinc/29/69/37/252296937.db2.gz LVNJNBHXFVOCSW-FUHWJXTLSA-N 2 2 344.459 1.080 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000424988222 252291133 /nfs/dbraw/zinc/29/11/33/252291133.db2.gz FDIQYHHZSOXHLW-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000425054889 252295099 /nfs/dbraw/zinc/29/50/99/252295099.db2.gz FUQXXJCHCSGTEG-IPMKNSEASA-N 2 2 343.471 1.440 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000425054889 252295102 /nfs/dbraw/zinc/29/51/02/252295102.db2.gz FUQXXJCHCSGTEG-IPMKNSEASA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000425054889 252295105 /nfs/dbraw/zinc/29/51/05/252295105.db2.gz FUQXXJCHCSGTEG-IPMKNSEASA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000425054889 252295109 /nfs/dbraw/zinc/29/51/09/252295109.db2.gz FUQXXJCHCSGTEG-IPMKNSEASA-N 2 2 343.471 1.440 20 0 EDADLP OCCOc1ccccc1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425901530 252313576 /nfs/dbraw/zinc/31/35/76/252313576.db2.gz PXKBOVGQJYLOGH-UHFFFAOYSA-N 2 2 331.416 1.803 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263125127 139323775 /nfs/dbraw/zinc/32/37/75/139323775.db2.gz BESZTEIDJFZHSW-AWEZNQCLSA-N 2 2 333.423 1.333 20 0 EDADLP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000261888015 285037066 /nfs/dbraw/zinc/03/70/66/285037066.db2.gz GCNNNDOHZDIODJ-GVDBMIGSSA-N 2 2 338.473 1.207 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)c1 ZINC000171572868 533063629 /nfs/dbraw/zinc/06/36/29/533063629.db2.gz OVAOPYPXZBMQJH-UHFFFAOYSA-N 2 2 344.419 1.209 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000153456505 224107448 /nfs/dbraw/zinc/10/74/48/224107448.db2.gz PRHZHWWHMLYYFK-QGZVFWFLSA-N 2 2 344.459 1.374 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000153456505 224107451 /nfs/dbraw/zinc/10/74/51/224107451.db2.gz PRHZHWWHMLYYFK-QGZVFWFLSA-N 2 2 344.459 1.374 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@]3(C)CCCCO3)CC2)CC1 ZINC000422028615 285187419 /nfs/dbraw/zinc/18/74/19/285187419.db2.gz YJSDJAWOAJHACJ-LJQANCHMSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@]3(C)CCCCO3)CC2)CC1 ZINC000422028615 285187420 /nfs/dbraw/zinc/18/74/20/285187420.db2.gz YJSDJAWOAJHACJ-LJQANCHMSA-N 2 2 337.508 1.964 20 0 EDADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000449588767 254642473 /nfs/dbraw/zinc/64/24/73/254642473.db2.gz QYHZUHOORHXIEF-CVEARBPZSA-N 2 2 340.464 1.725 20 0 EDADLP COCC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000153789496 224157912 /nfs/dbraw/zinc/15/79/12/224157912.db2.gz VZRDPUDSRPIFBW-MJGOQNOKSA-N 3 2 334.508 1.850 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000153789496 224157914 /nfs/dbraw/zinc/15/79/14/224157914.db2.gz VZRDPUDSRPIFBW-MJGOQNOKSA-N 3 2 334.508 1.850 20 0 EDADLP COCC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000153789496 224157915 /nfs/dbraw/zinc/15/79/15/224157915.db2.gz VZRDPUDSRPIFBW-MJGOQNOKSA-N 3 2 334.508 1.850 20 0 EDADLP COCC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000153789496 224157917 /nfs/dbraw/zinc/15/79/17/224157917.db2.gz VZRDPUDSRPIFBW-MJGOQNOKSA-N 3 2 334.508 1.850 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000459805725 255003785 /nfs/dbraw/zinc/00/37/85/255003785.db2.gz LZDHLSUWJGXPBI-HUUCEWRRSA-N 2 2 341.496 1.449 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000459805725 255003786 /nfs/dbraw/zinc/00/37/86/255003786.db2.gz LZDHLSUWJGXPBI-HUUCEWRRSA-N 2 2 341.496 1.449 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH+]1Cc1cccs1 ZINC000487277503 255028302 /nfs/dbraw/zinc/02/83/02/255028302.db2.gz GGEWPRXOCWCAGU-YXWQFLTLSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH+]1Cc1cccs1 ZINC000487277503 255028304 /nfs/dbraw/zinc/02/83/04/255028304.db2.gz GGEWPRXOCWCAGU-YXWQFLTLSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000487277503 255028306 /nfs/dbraw/zinc/02/83/06/255028306.db2.gz GGEWPRXOCWCAGU-YXWQFLTLSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000487277503 255028307 /nfs/dbraw/zinc/02/83/07/255028307.db2.gz GGEWPRXOCWCAGU-YXWQFLTLSA-N 2 2 339.480 1.974 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)C=Cc3c[nH]c[nH+]3)CCCC2)CC1 ZINC000493550552 255215312 /nfs/dbraw/zinc/21/53/12/255215312.db2.gz MLZZSHHPYSINIG-PLNGDYQASA-N 2 2 332.448 1.963 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000493947610 255227939 /nfs/dbraw/zinc/22/79/39/255227939.db2.gz CLDVYMXTFRHBHD-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000493947610 255227940 /nfs/dbraw/zinc/22/79/40/255227940.db2.gz CLDVYMXTFRHBHD-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CN3CC(CC)(CC)OC3=O)C2)CC1 ZINC000494455364 255251425 /nfs/dbraw/zinc/25/14/25/255251425.db2.gz ROCZGCOESFMWOU-MRXNPFEDSA-N 2 2 338.496 1.667 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CN3CC(CC)(CC)OC3=O)C2)CC1 ZINC000494455364 255251426 /nfs/dbraw/zinc/25/14/26/255251426.db2.gz ROCZGCOESFMWOU-MRXNPFEDSA-N 2 2 338.496 1.667 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496290344 255376089 /nfs/dbraw/zinc/37/60/89/255376089.db2.gz GTCNJLSLZQUTCL-OWCLPIDISA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496290344 255376090 /nfs/dbraw/zinc/37/60/90/255376090.db2.gz GTCNJLSLZQUTCL-OWCLPIDISA-N 2 2 340.512 1.610 20 0 EDADLP CC(C)(C)C(=O)NCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119236469 221272930 /nfs/dbraw/zinc/27/29/30/221272930.db2.gz YCTUNPLKAMDULL-UHFFFAOYSA-N 2 2 339.403 1.785 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000119439605 221320737 /nfs/dbraw/zinc/32/07/37/221320737.db2.gz SXGOYGWNUIAUJD-QGZVFWFLSA-N 2 2 327.432 1.847 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)n1C ZINC000570649166 306547595 /nfs/dbraw/zinc/54/75/95/306547595.db2.gz NIXDCZKXAXSOPG-UHFFFAOYSA-N 2 2 336.461 1.705 20 0 EDADLP Cc1ccc2c(C[NH+]3CCC([N@H+](C)CCO)CC3)cc(=O)oc2c1 ZINC000264289881 139394058 /nfs/dbraw/zinc/39/40/58/139394058.db2.gz MPTBBSNIKOHJKW-UHFFFAOYSA-N 2 2 330.428 1.990 20 0 EDADLP Cc1ccc2c(C[NH+]3CCC([N@@H+](C)CCO)CC3)cc(=O)oc2c1 ZINC000264289881 139394059 /nfs/dbraw/zinc/39/40/59/139394059.db2.gz MPTBBSNIKOHJKW-UHFFFAOYSA-N 2 2 330.428 1.990 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(c3[nH+]cnc4[nH]ccc43)CC2)cn1 ZINC000264315495 139396527 /nfs/dbraw/zinc/39/65/27/139396527.db2.gz IBJTXALCFJDPOP-UHFFFAOYSA-N 2 2 325.420 1.887 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(c3[nH+]cnc4[nH]ccc43)CC2)cn1 ZINC000264315495 139396528 /nfs/dbraw/zinc/39/65/28/139396528.db2.gz IBJTXALCFJDPOP-UHFFFAOYSA-N 2 2 325.420 1.887 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000361762536 285389952 /nfs/dbraw/zinc/38/99/52/285389952.db2.gz BSKRKBZNHOSFAO-NCOADZHNSA-N 2 2 340.512 1.610 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000361762536 285389954 /nfs/dbraw/zinc/38/99/54/285389954.db2.gz BSKRKBZNHOSFAO-NCOADZHNSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000268424423 139778162 /nfs/dbraw/zinc/77/81/62/139778162.db2.gz XDTFOTZWUKLMFW-UKRRQHHQSA-N 2 2 328.420 1.359 20 0 EDADLP NC(=O)C1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCCC1 ZINC000269860580 140007861 /nfs/dbraw/zinc/00/78/61/140007861.db2.gz QRAFBFVZOIQSHK-UHFFFAOYSA-N 2 2 337.387 1.668 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000270923093 140199750 /nfs/dbraw/zinc/19/97/50/140199750.db2.gz DBJPBMXYJIHARH-OAHLLOKOSA-N 2 2 344.459 1.819 20 0 EDADLP CN(C)c1ncc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000271156845 140248195 /nfs/dbraw/zinc/24/81/95/140248195.db2.gz IFUCEIZLKLVMLI-UHFFFAOYSA-N 2 2 343.479 1.336 20 0 EDADLP CN(C)c1ncc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000271156845 140248196 /nfs/dbraw/zinc/24/81/96/140248196.db2.gz IFUCEIZLKLVMLI-UHFFFAOYSA-N 2 2 343.479 1.336 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000271176220 140251204 /nfs/dbraw/zinc/25/12/04/140251204.db2.gz XZZIKOXEVUELHC-AWEZNQCLSA-N 2 2 330.432 1.429 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[NH+]3CCCCC3)ccc2[nH+]1 ZINC000271537982 140308835 /nfs/dbraw/zinc/30/88/35/140308835.db2.gz HIQQNYGWESFLMJ-UHFFFAOYSA-N 2 2 329.404 1.183 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000331701801 141069732 /nfs/dbraw/zinc/06/97/32/141069732.db2.gz WABDIFNFTVIEMT-LTIDMASMSA-N 2 2 346.475 1.379 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)[nH+]1 ZINC000332119163 141126306 /nfs/dbraw/zinc/12/63/06/141126306.db2.gz HYOPIHQQKKABRT-GJZGRUSLSA-N 2 2 330.432 1.485 20 0 EDADLP COC(=O)c1occc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000332170510 141134669 /nfs/dbraw/zinc/13/46/69/141134669.db2.gz VXHNTSVSCORHMR-JKSUJKDBSA-N 2 2 336.432 1.924 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NCc1c[nH+]c(N(C)C)n1C ZINC000332195292 141138250 /nfs/dbraw/zinc/13/82/50/141138250.db2.gz YNALGWRBJIDGIH-UHFFFAOYSA-N 2 2 330.436 1.638 20 0 EDADLP Cc1cccn2c(C[NH2+][C@H]3CCCC[C@@H]3NS(C)(=O)=O)c[nH+]c12 ZINC000332240246 141145369 /nfs/dbraw/zinc/14/53/69/141145369.db2.gz IRSRSYPPPMYAQD-GJZGRUSLSA-N 2 2 336.461 1.593 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)s1 ZINC000332531756 141197603 /nfs/dbraw/zinc/19/76/03/141197603.db2.gz YFJJCQURSDMYRO-UONOGXRCSA-N 2 2 337.493 1.549 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000333120094 141267179 /nfs/dbraw/zinc/26/71/79/141267179.db2.gz AAJICRKVKZLPQO-GOSISDBHSA-N 2 2 349.454 1.389 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C[C@@H]21 ZINC000333127113 141268441 /nfs/dbraw/zinc/26/84/41/141268441.db2.gz BEOLVRJAVDFTLN-LVQVYYBASA-N 2 2 329.448 1.429 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000333309978 141297019 /nfs/dbraw/zinc/29/70/19/141297019.db2.gz ROEADLUBQGTVMU-UHFFFAOYSA-N 2 2 327.432 1.882 20 0 EDADLP CN(C)c1cc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]cc1Br ZINC000333322003 141299097 /nfs/dbraw/zinc/29/90/97/141299097.db2.gz NCVBNGAOHJUTGV-JDICNCQASA-N 2 2 340.225 1.249 20 0 EDADLP CC1(C)C[NH+](CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000572376269 306587368 /nfs/dbraw/zinc/58/73/68/306587368.db2.gz FCYBDIJMYCIYDW-UHFFFAOYSA-N 2 2 331.460 1.924 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NCCn2cc[nH+]c2C)c[nH+]1 ZINC000339665584 142112367 /nfs/dbraw/zinc/11/23/67/142112367.db2.gz VISAMIUZAYSZQH-UHFFFAOYSA-N 2 2 330.436 1.932 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@@H+](C2CCC2)C1 ZINC000344742268 143005917 /nfs/dbraw/zinc/00/59/17/143005917.db2.gz PBTRCAMLMUPNBO-LPHOPBHVSA-N 2 2 349.519 1.820 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@H+](C2CCC2)C1 ZINC000344742268 143005918 /nfs/dbraw/zinc/00/59/18/143005918.db2.gz PBTRCAMLMUPNBO-LPHOPBHVSA-N 2 2 349.519 1.820 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH+](C2CCC2)C1 ZINC000344742268 143005920 /nfs/dbraw/zinc/00/59/20/143005920.db2.gz PBTRCAMLMUPNBO-LPHOPBHVSA-N 2 2 349.519 1.820 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)c[nH+]1 ZINC000344817050 143015441 /nfs/dbraw/zinc/01/54/41/143015441.db2.gz PSNGQKGTOIJAEX-LJQANCHMSA-N 2 2 331.460 1.772 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)c[nH+]1 ZINC000344817050 143015442 /nfs/dbraw/zinc/01/54/42/143015442.db2.gz PSNGQKGTOIJAEX-LJQANCHMSA-N 2 2 331.460 1.772 20 0 EDADLP C[C@H](Cn1cccn1)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000345154056 143058364 /nfs/dbraw/zinc/05/83/64/143058364.db2.gz HMEAZWOZTHUJLQ-QGZVFWFLSA-N 3 2 328.464 1.469 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000345270524 143071703 /nfs/dbraw/zinc/07/17/03/143071703.db2.gz XICWCPNQDNCTAW-GPMSIDNRSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000345270524 143071704 /nfs/dbraw/zinc/07/17/04/143071704.db2.gz XICWCPNQDNCTAW-GPMSIDNRSA-N 2 2 345.487 1.735 20 0 EDADLP CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346178788 143175570 /nfs/dbraw/zinc/17/55/70/143175570.db2.gz SOCRBKRZHATERD-NSHDSACASA-N 2 2 326.447 1.057 20 0 EDADLP CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346178788 143175571 /nfs/dbraw/zinc/17/55/71/143175571.db2.gz SOCRBKRZHATERD-NSHDSACASA-N 2 2 326.447 1.057 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C[C@@H]2OCC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000346491599 143210638 /nfs/dbraw/zinc/21/06/38/143210638.db2.gz KPWDMNBQDPSZHY-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C[C@@H]2OCC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000346491599 143210639 /nfs/dbraw/zinc/21/06/39/143210639.db2.gz KPWDMNBQDPSZHY-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@@H]2OCC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000346491599 143210640 /nfs/dbraw/zinc/21/06/40/143210640.db2.gz KPWDMNBQDPSZHY-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@@H]2OCC[N@@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000346491599 143210641 /nfs/dbraw/zinc/21/06/41/143210641.db2.gz KPWDMNBQDPSZHY-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](C)[C@H](C(N)=O)C3)c2cc1C ZINC000346585793 143219167 /nfs/dbraw/zinc/21/91/67/143219167.db2.gz MDSWRAYPNYQEHH-RRFJBIMHSA-N 2 2 330.432 1.067 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](C)[C@H](C(N)=O)C3)c2cc1C ZINC000346585793 143219168 /nfs/dbraw/zinc/21/91/68/143219168.db2.gz MDSWRAYPNYQEHH-RRFJBIMHSA-N 2 2 330.432 1.067 20 0 EDADLP Cn1cc(CC[N@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000346873110 143254428 /nfs/dbraw/zinc/25/44/28/143254428.db2.gz JORXGAVAKXUPKQ-SJLPKXTDSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[N@@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000346873110 143254429 /nfs/dbraw/zinc/25/44/29/143254429.db2.gz JORXGAVAKXUPKQ-SJLPKXTDSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000346873110 143254430 /nfs/dbraw/zinc/25/44/30/143254430.db2.gz JORXGAVAKXUPKQ-SJLPKXTDSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000346873110 143254431 /nfs/dbraw/zinc/25/44/31/143254431.db2.gz JORXGAVAKXUPKQ-SJLPKXTDSA-N 2 2 330.480 1.711 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000347069893 143278738 /nfs/dbraw/zinc/27/87/38/143278738.db2.gz OVUCORWDUPSNAJ-UHFFFAOYSA-N 2 2 347.850 1.389 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000347069893 143278739 /nfs/dbraw/zinc/27/87/39/143278739.db2.gz OVUCORWDUPSNAJ-UHFFFAOYSA-N 2 2 347.850 1.389 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@H](C)C[NH+]3CCOCC3)CC2)[nH+]1 ZINC000347707584 143352387 /nfs/dbraw/zinc/35/23/87/143352387.db2.gz XLZIGMUBPUBFGJ-OAHLLOKOSA-N 2 2 346.475 1.443 20 0 EDADLP Cc1nc(CN2C[C@H](F)C[C@@H]2C[N@@H+](C)CCc2c[nH+]cn2C)no1 ZINC000347757288 143359061 /nfs/dbraw/zinc/35/90/61/143359061.db2.gz GPULDDNUYTZVGW-UKRRQHHQSA-N 2 2 336.415 1.198 20 0 EDADLP Cc1nc(CN2C[C@H](F)C[C@@H]2C[N@H+](C)CCc2c[nH+]cn2C)no1 ZINC000347757288 143359062 /nfs/dbraw/zinc/35/90/62/143359062.db2.gz GPULDDNUYTZVGW-UKRRQHHQSA-N 2 2 336.415 1.198 20 0 EDADLP COc1ncccc1C[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348080225 143398602 /nfs/dbraw/zinc/39/86/02/143398602.db2.gz HTGXQSUVMXWKNF-JKSUJKDBSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ncccc1C[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348080225 143398603 /nfs/dbraw/zinc/39/86/03/143398603.db2.gz HTGXQSUVMXWKNF-JKSUJKDBSA-N 2 2 347.438 1.868 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000369680797 155134183 /nfs/dbraw/zinc/13/41/83/155134183.db2.gz YRUIEOUKDPOIPH-KRWDZBQOSA-N 2 2 348.491 1.967 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369790957 155179178 /nfs/dbraw/zinc/17/91/78/155179178.db2.gz PFXPBXKZJNJXLC-GOEBONIOSA-N 2 2 340.537 1.692 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369790957 155179179 /nfs/dbraw/zinc/17/91/79/155179179.db2.gz PFXPBXKZJNJXLC-GOEBONIOSA-N 2 2 340.537 1.692 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416859783 304352887 /nfs/dbraw/zinc/35/28/87/304352887.db2.gz USDLOKNJMJUGHN-PBHICJAKSA-N 2 2 327.432 1.738 20 0 EDADLP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000369892632 155220586 /nfs/dbraw/zinc/22/05/86/155220586.db2.gz LPUIDIREPPFYFH-OWCLPIDISA-N 2 2 333.480 1.960 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000352955857 149228991 /nfs/dbraw/zinc/22/89/91/149228991.db2.gz ARCFSIIJWOKJQK-INIZCTEOSA-N 2 2 344.459 1.962 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000352955857 149228992 /nfs/dbraw/zinc/22/89/92/149228992.db2.gz ARCFSIIJWOKJQK-INIZCTEOSA-N 2 2 344.459 1.962 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)CCO1 ZINC000353009944 149251902 /nfs/dbraw/zinc/25/19/02/149251902.db2.gz SIGMCABCYDCIFQ-GXTWGEPZSA-N 2 2 325.363 1.892 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416959218 304355416 /nfs/dbraw/zinc/35/54/16/304355416.db2.gz PVYHXBSXGZRYBE-DLBZAZTESA-N 2 2 341.459 1.901 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)[C@H]1C ZINC000416961827 304355998 /nfs/dbraw/zinc/35/59/98/304355998.db2.gz SKSZXYYSIPWCKF-HOTGVXAUSA-N 2 2 341.459 1.866 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000353318251 149363260 /nfs/dbraw/zinc/36/32/60/149363260.db2.gz YPAXCDKTZVQLLO-KRWDZBQOSA-N 2 2 333.480 1.329 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000353318251 149363264 /nfs/dbraw/zinc/36/32/64/149363264.db2.gz YPAXCDKTZVQLLO-KRWDZBQOSA-N 2 2 333.480 1.329 20 0 EDADLP CCC(CC)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000353323214 149365170 /nfs/dbraw/zinc/36/51/70/149365170.db2.gz JRMJBVZZYCRYHP-SFHVURJKSA-N 2 2 339.524 1.972 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1C[NH3+] ZINC000416972006 304357895 /nfs/dbraw/zinc/35/78/95/304357895.db2.gz FJJDQUYMGPXDAY-GDBMZVCRSA-N 2 2 331.464 1.808 20 0 EDADLP C[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000354996879 150070045 /nfs/dbraw/zinc/07/00/45/150070045.db2.gz OQZFUXMAHHDIFH-INIZCTEOSA-N 2 2 349.475 1.006 20 0 EDADLP CSC[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355104262 150118126 /nfs/dbraw/zinc/11/81/26/150118126.db2.gz ISLSVRAYAAKCID-ZIAGYGMSSA-N 2 2 328.526 1.548 20 0 EDADLP CSC[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355104262 150118128 /nfs/dbraw/zinc/11/81/28/150118128.db2.gz ISLSVRAYAAKCID-ZIAGYGMSSA-N 2 2 328.526 1.548 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@]1(C)CCOC1 ZINC000355465315 150280708 /nfs/dbraw/zinc/28/07/08/150280708.db2.gz WLUXAEIORGRIIZ-KRWDZBQOSA-N 2 2 326.485 1.080 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@]1(C)CCOC1 ZINC000355465315 150280710 /nfs/dbraw/zinc/28/07/10/150280710.db2.gz WLUXAEIORGRIIZ-KRWDZBQOSA-N 2 2 326.485 1.080 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000355658474 150352737 /nfs/dbraw/zinc/35/27/37/150352737.db2.gz KVBVMAPLBMNVCK-HUUCEWRRSA-N 2 2 348.491 1.865 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000355658474 150352738 /nfs/dbraw/zinc/35/27/38/150352738.db2.gz KVBVMAPLBMNVCK-HUUCEWRRSA-N 2 2 348.491 1.865 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000355658474 150352741 /nfs/dbraw/zinc/35/27/41/150352741.db2.gz KVBVMAPLBMNVCK-HUUCEWRRSA-N 2 2 348.491 1.865 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CCSCC1 ZINC000355730259 150377916 /nfs/dbraw/zinc/37/79/16/150377916.db2.gz SJEFQFIIXLWKSY-UHFFFAOYSA-N 2 2 342.553 1.797 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CCSCC1 ZINC000355730259 150377917 /nfs/dbraw/zinc/37/79/17/150377917.db2.gz SJEFQFIIXLWKSY-UHFFFAOYSA-N 2 2 342.553 1.797 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000417039723 304364672 /nfs/dbraw/zinc/36/46/72/304364672.db2.gz OFHRWOWYOFFGRX-OIISXLGYSA-N 2 2 332.448 1.049 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417064547 304368681 /nfs/dbraw/zinc/36/86/81/304368681.db2.gz GGECMZZVPGMSRS-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000358019867 151237281 /nfs/dbraw/zinc/23/72/81/151237281.db2.gz KJAHDLZFGUKQSU-YKTARERQSA-N 2 2 345.487 1.976 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000358019867 151237283 /nfs/dbraw/zinc/23/72/83/151237283.db2.gz KJAHDLZFGUKQSU-YKTARERQSA-N 2 2 345.487 1.976 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000358046612 151246861 /nfs/dbraw/zinc/24/68/61/151246861.db2.gz ZSMQZAIHLLCVNF-CRAIPNDOSA-N 3 2 332.492 1.408 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000358046612 151246863 /nfs/dbraw/zinc/24/68/63/151246863.db2.gz ZSMQZAIHLLCVNF-CRAIPNDOSA-N 3 2 332.492 1.408 20 0 EDADLP C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358154177 151289258 /nfs/dbraw/zinc/28/92/58/151289258.db2.gz NGCWGBPNIUEZSD-FUHWJXTLSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@]2(C)CCCOC2)([NH+]2CCCCC2)CC1 ZINC000358183877 151298259 /nfs/dbraw/zinc/29/82/59/151298259.db2.gz ODWMZVRUUQUZRH-GOSISDBHSA-N 2 2 337.508 1.870 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C1 ZINC000358344156 151344121 /nfs/dbraw/zinc/34/41/21/151344121.db2.gz VAQNJSLGUWZYCF-OLZOCXBDSA-N 2 2 331.507 1.298 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN(C)S(=O)(=O)c2cccs2)C1 ZINC000358344156 151344123 /nfs/dbraw/zinc/34/41/23/151344123.db2.gz VAQNJSLGUWZYCF-OLZOCXBDSA-N 2 2 331.507 1.298 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)[NH+]2CCOCC2)cc1 ZINC000417174139 292252411 /nfs/dbraw/zinc/25/24/11/292252411.db2.gz IIFXVYJPKSBDBB-MSOLQXFVSA-N 2 2 348.491 1.651 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360534159 152084373 /nfs/dbraw/zinc/08/43/73/152084373.db2.gz DQFCBVRLHLLPQQ-FOIQADDNSA-N 2 2 340.471 1.901 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360534159 152084377 /nfs/dbraw/zinc/08/43/77/152084377.db2.gz DQFCBVRLHLLPQQ-FOIQADDNSA-N 2 2 340.471 1.901 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000360534843 152084522 /nfs/dbraw/zinc/08/45/22/152084522.db2.gz KTLMDJCFJLOBHI-UGSOOPFHSA-N 2 2 333.432 1.716 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000360534843 152084524 /nfs/dbraw/zinc/08/45/24/152084524.db2.gz KTLMDJCFJLOBHI-UGSOOPFHSA-N 2 2 333.432 1.716 20 0 EDADLP C[C@@H]1CN(C(=O)NCC2CCOCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000360828628 152222842 /nfs/dbraw/zinc/22/28/42/152222842.db2.gz KGLSHQVNQAVSKU-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCC2CCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000360828628 152222843 /nfs/dbraw/zinc/22/28/43/152222843.db2.gz KGLSHQVNQAVSKU-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000360857621 152231825 /nfs/dbraw/zinc/23/18/25/152231825.db2.gz HUFLMRBHPBERRW-LSDHHAIUSA-N 2 2 337.468 1.356 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000360857621 152231826 /nfs/dbraw/zinc/23/18/26/152231826.db2.gz HUFLMRBHPBERRW-LSDHHAIUSA-N 2 2 337.468 1.356 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000360891472 152242436 /nfs/dbraw/zinc/24/24/36/152242436.db2.gz ZRGYINGURFCLBP-QGZVFWFLSA-N 2 2 335.423 1.237 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000360891472 152242437 /nfs/dbraw/zinc/24/24/37/152242437.db2.gz ZRGYINGURFCLBP-QGZVFWFLSA-N 2 2 335.423 1.237 20 0 EDADLP C[NH+](C)CC1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000360950246 152261390 /nfs/dbraw/zinc/26/13/90/152261390.db2.gz ACIUEDGVDHCCKS-INIZCTEOSA-N 2 2 333.480 1.463 20 0 EDADLP C[NH+](C)CC1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000360950246 152261392 /nfs/dbraw/zinc/26/13/92/152261392.db2.gz ACIUEDGVDHCCKS-INIZCTEOSA-N 2 2 333.480 1.463 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)c2cccc(F)c2)CC1 ZINC000360964970 152265371 /nfs/dbraw/zinc/26/53/71/152265371.db2.gz ZHKSTBPLVKGJPO-QGZVFWFLSA-N 2 2 338.423 1.866 20 0 EDADLP Cc1cccc(CNC(=O)C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000360973026 152267718 /nfs/dbraw/zinc/26/77/18/152267718.db2.gz RGQUAYQGTGPNDB-LJQANCHMSA-N 2 2 344.503 1.323 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccccc2)CC1 ZINC000360975010 152268098 /nfs/dbraw/zinc/26/80/98/152268098.db2.gz MJCSBTWYHHYQCF-KRWDZBQOSA-N 2 2 333.432 1.220 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(N(C)C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000361090310 152299061 /nfs/dbraw/zinc/29/90/61/152299061.db2.gz ZIBWWJOORLNUGQ-INIZCTEOSA-N 2 2 344.503 1.993 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(N(C)C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000361090310 152299064 /nfs/dbraw/zinc/29/90/64/152299064.db2.gz ZIBWWJOORLNUGQ-INIZCTEOSA-N 2 2 344.503 1.993 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)C1 ZINC000361164889 152324120 /nfs/dbraw/zinc/32/41/20/152324120.db2.gz ALRSNJGKQZHIIJ-SFHVURJKSA-N 2 2 349.450 1.904 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)C1 ZINC000361164889 152324124 /nfs/dbraw/zinc/32/41/24/152324124.db2.gz ALRSNJGKQZHIIJ-SFHVURJKSA-N 2 2 349.450 1.904 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)N2CCc3c([nH+]cn3C)C2)CC1 ZINC000361217111 152338540 /nfs/dbraw/zinc/33/85/40/152338540.db2.gz LYIQUKHMVRVLSP-UHFFFAOYSA-N 2 2 349.479 1.377 20 0 EDADLP CC1CCN(C(=O)C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000363690193 153030042 /nfs/dbraw/zinc/03/00/42/153030042.db2.gz HXRSUBGWXCWOHK-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP CC1CCN(C(=O)C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000363690193 153030044 /nfs/dbraw/zinc/03/00/44/153030044.db2.gz HXRSUBGWXCWOHK-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000363702310 153034552 /nfs/dbraw/zinc/03/45/52/153034552.db2.gz BHYPAZAMLUXYGF-RNJTYBCJSA-N 2 2 349.450 1.831 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000363702310 153034554 /nfs/dbraw/zinc/03/45/54/153034554.db2.gz BHYPAZAMLUXYGF-RNJTYBCJSA-N 2 2 349.450 1.831 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000363714658 153037301 /nfs/dbraw/zinc/03/73/01/153037301.db2.gz RBIYUBCBQJQGTF-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP NC(=O)C1([NH+]2CCN(Cc3cccc4[nH+]ccn43)CC2)CCCC1 ZINC000364073559 153138462 /nfs/dbraw/zinc/13/84/62/153138462.db2.gz QZHQFXJIWPNSPO-UHFFFAOYSA-N 2 2 327.432 1.250 20 0 EDADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364346749 153212723 /nfs/dbraw/zinc/21/27/23/153212723.db2.gz JAOGNQMLBSSYGA-DJIMGWMZSA-N 2 2 335.496 1.976 20 0 EDADLP CCCn1c(C)nnc1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364346749 153212726 /nfs/dbraw/zinc/21/27/26/153212726.db2.gz JAOGNQMLBSSYGA-DJIMGWMZSA-N 2 2 335.496 1.976 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)C2 ZINC000364570979 153275407 /nfs/dbraw/zinc/27/54/07/153275407.db2.gz STKSTSZOHURWDB-UONOGXRCSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)C2 ZINC000364570979 153275409 /nfs/dbraw/zinc/27/54/09/153275409.db2.gz STKSTSZOHURWDB-UONOGXRCSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)CC2 ZINC000364570979 153275412 /nfs/dbraw/zinc/27/54/12/153275412.db2.gz STKSTSZOHURWDB-UONOGXRCSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)CC2 ZINC000364570979 153275413 /nfs/dbraw/zinc/27/54/13/153275413.db2.gz STKSTSZOHURWDB-UONOGXRCSA-N 2 2 334.464 1.163 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000364724871 153314904 /nfs/dbraw/zinc/31/49/04/153314904.db2.gz QIJQYABZFGTGIA-SIIHOXLZSA-N 2 2 328.416 1.483 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000364825602 153344513 /nfs/dbraw/zinc/34/45/13/153344513.db2.gz ATPLIHNFLGYMBR-SFHVURJKSA-N 2 2 346.475 1.275 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000364825602 153344517 /nfs/dbraw/zinc/34/45/17/153344517.db2.gz ATPLIHNFLGYMBR-SFHVURJKSA-N 2 2 346.475 1.275 20 0 EDADLP O=C(CC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1)N1CCOCC1 ZINC000364916822 153369508 /nfs/dbraw/zinc/36/95/08/153369508.db2.gz PYBOTPYZPHJCFS-UHFFFAOYSA-N 2 2 342.443 1.795 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)C12CCOCC2 ZINC000375080565 286389268 /nfs/dbraw/zinc/38/92/68/286389268.db2.gz WZNHCVAWQWBMLK-ZJPYXAASSA-N 2 2 338.492 1.804 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)C12CCOCC2 ZINC000375080565 286389269 /nfs/dbraw/zinc/38/92/69/286389269.db2.gz WZNHCVAWQWBMLK-ZJPYXAASSA-N 2 2 338.492 1.804 20 0 EDADLP COCCOCc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000367466047 154135912 /nfs/dbraw/zinc/13/59/12/154135912.db2.gz QWXPAJCCNSXQCX-MOPGFXCFSA-N 2 2 334.460 1.802 20 0 EDADLP COCCOCc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000367466047 154135914 /nfs/dbraw/zinc/13/59/14/154135914.db2.gz QWXPAJCCNSXQCX-MOPGFXCFSA-N 2 2 334.460 1.802 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)nc1 ZINC000367545243 154169165 /nfs/dbraw/zinc/16/91/65/154169165.db2.gz UGVDTNJAFPDIBM-GVDBMIGSSA-N 2 2 333.432 1.552 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)nc1 ZINC000367545243 154169167 /nfs/dbraw/zinc/16/91/67/154169167.db2.gz UGVDTNJAFPDIBM-GVDBMIGSSA-N 2 2 333.432 1.552 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc(OC)c1O ZINC000368032214 154375683 /nfs/dbraw/zinc/37/56/83/154375683.db2.gz XVTYGTCBYBWDAT-GJZGRUSLSA-N 2 2 336.432 1.752 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc(OC)c1O ZINC000368032214 154375684 /nfs/dbraw/zinc/37/56/84/154375684.db2.gz XVTYGTCBYBWDAT-GJZGRUSLSA-N 2 2 336.432 1.752 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C[NH+]1CCCCC1 ZINC000368304680 154499160 /nfs/dbraw/zinc/49/91/60/154499160.db2.gz PCRBNNFFPTYEAJ-DOTOQJQBSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C[NH+]1CCCCC1 ZINC000368304680 154499164 /nfs/dbraw/zinc/49/91/64/154499164.db2.gz PCRBNNFFPTYEAJ-DOTOQJQBSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)N2CC[NH+](C3CCC3)CC2)CCOc2ccccc21 ZINC000369598745 155103520 /nfs/dbraw/zinc/10/35/20/155103520.db2.gz CHGPYQHPJZEXHV-FQEVSTJZSA-N 2 2 343.471 1.923 20 0 EDADLP [NH3+]CCN(Cc1ccccc1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000417447627 304396717 /nfs/dbraw/zinc/39/67/17/304396717.db2.gz QPZMJANNWVDWKM-UHFFFAOYSA-N 2 2 327.432 1.890 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccncc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371893501 156157348 /nfs/dbraw/zinc/15/73/48/156157348.db2.gz HTLCVXVIXJHQRM-ZDUSSCGKSA-N 2 2 335.427 1.275 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccncc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371893501 156157350 /nfs/dbraw/zinc/15/73/50/156157350.db2.gz HTLCVXVIXJHQRM-ZDUSSCGKSA-N 2 2 335.427 1.275 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)CCC2 ZINC000372227121 156277676 /nfs/dbraw/zinc/27/76/76/156277676.db2.gz YPTNQXMAHQGWGW-WBVHZDCISA-N 2 2 348.491 1.978 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)C2 ZINC000372395965 156368276 /nfs/dbraw/zinc/36/82/76/156368276.db2.gz FVHNHHXCOKPOEF-HUUCEWRRSA-N 2 2 347.507 1.390 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)CC2 ZINC000372395965 156368279 /nfs/dbraw/zinc/36/82/79/156368279.db2.gz FVHNHHXCOKPOEF-HUUCEWRRSA-N 2 2 347.507 1.390 20 0 EDADLP Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc(C2CC2)[nH+]1 ZINC000372414686 156376836 /nfs/dbraw/zinc/37/68/36/156376836.db2.gz ADWJPYSYSPSTTD-OAHLLOKOSA-N 2 2 329.448 1.581 20 0 EDADLP Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)nc(C2CC2)[nH+]1 ZINC000372414686 156376840 /nfs/dbraw/zinc/37/68/40/156376840.db2.gz ADWJPYSYSPSTTD-OAHLLOKOSA-N 2 2 329.448 1.581 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000374200031 157189395 /nfs/dbraw/zinc/18/93/95/157189395.db2.gz NHJVTGRHJBGFTJ-ZDUSSCGKSA-N 2 2 348.447 1.389 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000374200031 157189399 /nfs/dbraw/zinc/18/93/99/157189399.db2.gz NHJVTGRHJBGFTJ-ZDUSSCGKSA-N 2 2 348.447 1.389 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374422051 157285084 /nfs/dbraw/zinc/28/50/84/157285084.db2.gz QPVYOARUYKZVLY-YESZJQIVSA-N 2 2 325.497 1.866 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374422051 157285087 /nfs/dbraw/zinc/28/50/87/157285087.db2.gz QPVYOARUYKZVLY-YESZJQIVSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC[NH2+]C1 ZINC000378222876 158114137 /nfs/dbraw/zinc/11/41/37/158114137.db2.gz OBHCPKCWNDHBLN-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP O=C1[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCN1c1cccc(Cl)c1 ZINC000575935860 306674477 /nfs/dbraw/zinc/67/44/77/306674477.db2.gz AFFQFJPYYRIWRK-OAHLLOKOSA-N 2 2 345.834 1.991 20 0 EDADLP C[N@H+](Cc1cc(C(N)=O)cs1)C1CC[NH+](C2CCOCC2)CC1 ZINC000378350172 158147366 /nfs/dbraw/zinc/14/73/66/158147366.db2.gz NBCYNIYRARTSPA-UHFFFAOYSA-N 2 2 337.489 1.922 20 0 EDADLP C[N@@H+](Cc1cc(C(N)=O)cs1)C1CC[NH+](C2CCOCC2)CC1 ZINC000378350172 158147368 /nfs/dbraw/zinc/14/73/68/158147368.db2.gz NBCYNIYRARTSPA-UHFFFAOYSA-N 2 2 337.489 1.922 20 0 EDADLP COCCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCC1 ZINC000378375032 158157227 /nfs/dbraw/zinc/15/72/27/158157227.db2.gz ZHDRAYLMDZREHW-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP COCCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCC1 ZINC000378375032 158157229 /nfs/dbraw/zinc/15/72/29/158157229.db2.gz ZHDRAYLMDZREHW-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)NCCCn1cc[nH+]c1 ZINC000378518376 158197459 /nfs/dbraw/zinc/19/74/59/158197459.db2.gz RUOCVACMXIVECX-UHFFFAOYSA-N 2 2 330.436 1.128 20 0 EDADLP CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)NCCCn1cc[nH+]c1 ZINC000378518376 158197461 /nfs/dbraw/zinc/19/74/61/158197461.db2.gz RUOCVACMXIVECX-UHFFFAOYSA-N 2 2 330.436 1.128 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000352149636 162015018 /nfs/dbraw/zinc/01/50/18/162015018.db2.gz UKBBHXJHLJUKFC-IJEWVQPXSA-N 2 2 334.464 1.369 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000352187173 162039085 /nfs/dbraw/zinc/03/90/85/162039085.db2.gz PXNCHXKUSGVVOY-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000352187173 162039086 /nfs/dbraw/zinc/03/90/86/162039086.db2.gz PXNCHXKUSGVVOY-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@H]1C[NH+](CCCNCc2ncc(C[NH+](C)C)s2)C[C@H](C)O1 ZINC000352257548 162078708 /nfs/dbraw/zinc/07/87/08/162078708.db2.gz UXFYVVNOWJSKJY-KBPBESRZSA-N 2 2 326.510 1.794 20 0 EDADLP C[C@H]1CN(CCC[NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@H](C)O1 ZINC000352257548 162078709 /nfs/dbraw/zinc/07/87/09/162078709.db2.gz UXFYVVNOWJSKJY-KBPBESRZSA-N 2 2 326.510 1.794 20 0 EDADLP OC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000352402735 162164986 /nfs/dbraw/zinc/16/49/86/162164986.db2.gz PDEOPKSIXQBQLV-RBUKOAKNSA-N 2 2 333.476 1.328 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCCc2[nH+]ccn21 ZINC000352453610 162189042 /nfs/dbraw/zinc/18/90/42/162189042.db2.gz PBUDVJNTIIGROQ-QGZVFWFLSA-N 2 2 339.443 1.936 20 0 EDADLP C[C@H](CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)[NH+](C)C ZINC000352486139 162206676 /nfs/dbraw/zinc/20/66/76/162206676.db2.gz MZFAJFMIEBQLEW-CJNGLKHVSA-N 2 2 349.479 1.084 20 0 EDADLP C[C@H](CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)[NH+](C)C ZINC000352486139 162206678 /nfs/dbraw/zinc/20/66/78/162206678.db2.gz MZFAJFMIEBQLEW-CJNGLKHVSA-N 2 2 349.479 1.084 20 0 EDADLP O=C1[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCCN1c1cccc(F)c1 ZINC000352496082 162212922 /nfs/dbraw/zinc/21/29/22/162212922.db2.gz RQBMUFREACHFKN-QZTJIDSGSA-N 2 2 346.450 1.301 20 0 EDADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000352504612 162217530 /nfs/dbraw/zinc/21/75/30/162217530.db2.gz SFPPKQGXTXGUOM-ZCYBBYNQSA-N 2 2 346.519 1.051 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000352510051 162220246 /nfs/dbraw/zinc/22/02/46/162220246.db2.gz MDAMSAAZNRHIKC-IRXDYDNUSA-N 2 2 330.476 1.610 20 0 EDADLP CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352512442 162221834 /nfs/dbraw/zinc/22/18/34/162221834.db2.gz XVQFUGLOTUJOJC-GDBMZVCRSA-N 2 2 348.516 1.715 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000352518949 162225917 /nfs/dbraw/zinc/22/59/17/162225917.db2.gz KICCMGWGVCPIHC-HNNXBMFYSA-N 2 2 333.432 1.990 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000352518949 162225920 /nfs/dbraw/zinc/22/59/20/162225920.db2.gz KICCMGWGVCPIHC-HNNXBMFYSA-N 2 2 333.432 1.990 20 0 EDADLP CCc1oc(C(=O)OC)cc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364228740 162321253 /nfs/dbraw/zinc/32/12/53/162321253.db2.gz FFALTTNKGCAKKR-INIZCTEOSA-N 2 2 349.475 1.840 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000365998826 162367215 /nfs/dbraw/zinc/36/72/15/162367215.db2.gz FVJIYVSJCGTSSA-SFHVURJKSA-N 2 2 331.460 1.270 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000365998826 162367218 /nfs/dbraw/zinc/36/72/18/162367218.db2.gz FVJIYVSJCGTSSA-SFHVURJKSA-N 2 2 331.460 1.270 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000365998826 162367223 /nfs/dbraw/zinc/36/72/23/162367223.db2.gz FVJIYVSJCGTSSA-SFHVURJKSA-N 2 2 331.460 1.270 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000365998826 162367228 /nfs/dbraw/zinc/36/72/28/162367228.db2.gz FVJIYVSJCGTSSA-SFHVURJKSA-N 2 2 331.460 1.270 20 0 EDADLP COc1ccncc1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000366349504 162378050 /nfs/dbraw/zinc/37/80/50/162378050.db2.gz OWDHPJSXXBVYLH-UHFFFAOYSA-N 2 2 329.404 1.665 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000366349504 162378053 /nfs/dbraw/zinc/37/80/53/162378053.db2.gz OWDHPJSXXBVYLH-UHFFFAOYSA-N 2 2 329.404 1.665 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158662815 225062054 /nfs/dbraw/zinc/06/20/54/225062054.db2.gz ROPGZPFXMBGKTD-MJGOQNOKSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158662815 225062060 /nfs/dbraw/zinc/06/20/60/225062060.db2.gz ROPGZPFXMBGKTD-MJGOQNOKSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158662815 225062065 /nfs/dbraw/zinc/06/20/65/225062065.db2.gz ROPGZPFXMBGKTD-MJGOQNOKSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158662815 225062068 /nfs/dbraw/zinc/06/20/68/225062068.db2.gz ROPGZPFXMBGKTD-MJGOQNOKSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)[NH+]2CCOCC2)c1 ZINC000164899014 226103513 /nfs/dbraw/zinc/10/35/13/226103513.db2.gz RGJCQSUPINIARD-ZWKOTPCHSA-N 2 2 333.476 1.858 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000418355631 304485198 /nfs/dbraw/zinc/48/51/98/304485198.db2.gz PODRBCMDAOSYMH-SFHVURJKSA-N 2 2 348.491 1.783 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000418482242 304500956 /nfs/dbraw/zinc/50/09/56/304500956.db2.gz APCKNLIWDKMIDQ-KBPBESRZSA-N 2 2 333.436 1.048 20 0 EDADLP CS[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1[NH+]1CCCC1 ZINC000275183686 268292362 /nfs/dbraw/zinc/29/23/62/268292362.db2.gz ZINHVDLICHYXDC-HUUCEWRRSA-N 2 2 330.457 1.986 20 0 EDADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000275833688 268376254 /nfs/dbraw/zinc/37/62/54/268376254.db2.gz IDWZCADCWCGXCM-OALUTQOASA-N 2 2 342.491 1.553 20 0 EDADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000275833688 268376255 /nfs/dbraw/zinc/37/62/55/268376255.db2.gz IDWZCADCWCGXCM-OALUTQOASA-N 2 2 342.491 1.553 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)ccc2[nH+]1 ZINC000275711989 273120955 /nfs/dbraw/zinc/12/09/55/273120955.db2.gz QGKVATFDMBCXCG-AWEZNQCLSA-N 2 2 343.431 1.381 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)ccc2[nH+]1 ZINC000275711989 273120956 /nfs/dbraw/zinc/12/09/56/273120956.db2.gz QGKVATFDMBCXCG-AWEZNQCLSA-N 2 2 343.431 1.381 20 0 EDADLP CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000661861098 452637876 /nfs/dbraw/zinc/63/78/76/452637876.db2.gz MNZRPTOETNKOIH-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000661861098 452637882 /nfs/dbraw/zinc/63/78/82/452637882.db2.gz MNZRPTOETNKOIH-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000277425273 273195562 /nfs/dbraw/zinc/19/55/62/273195562.db2.gz KHYFGGNABCCRKA-YJBOKZPZSA-N 2 2 347.459 1.472 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000279149647 273283930 /nfs/dbraw/zinc/28/39/30/273283930.db2.gz FDYCXAKBMQZWGB-CQSZACIVSA-N 2 2 342.443 1.798 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000279149647 273283931 /nfs/dbraw/zinc/28/39/31/273283931.db2.gz FDYCXAKBMQZWGB-CQSZACIVSA-N 2 2 342.443 1.798 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000279149647 273283933 /nfs/dbraw/zinc/28/39/33/273283933.db2.gz FDYCXAKBMQZWGB-CQSZACIVSA-N 2 2 342.443 1.798 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000279149647 273283934 /nfs/dbraw/zinc/28/39/34/273283934.db2.gz FDYCXAKBMQZWGB-CQSZACIVSA-N 2 2 342.443 1.798 20 0 EDADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000279650142 273314321 /nfs/dbraw/zinc/31/43/21/273314321.db2.gz BTBQNKBCKBQUCO-HOTGVXAUSA-N 2 2 339.867 1.957 20 0 EDADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000279650142 273314323 /nfs/dbraw/zinc/31/43/23/273314323.db2.gz BTBQNKBCKBQUCO-HOTGVXAUSA-N 2 2 339.867 1.957 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C[NH+]1CCOCC1 ZINC000279774190 273326319 /nfs/dbraw/zinc/32/63/19/273326319.db2.gz BIYNSSNARQNPSZ-AWEZNQCLSA-N 2 2 349.866 1.979 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000279792070 273327495 /nfs/dbraw/zinc/32/74/95/273327495.db2.gz CWGVYWXSALNVFD-SFHVURJKSA-N 2 2 332.423 1.948 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000284063600 274066464 /nfs/dbraw/zinc/06/64/64/274066464.db2.gz QCOFABJMHCRZSU-ZBFHGGJFSA-N 2 2 343.431 1.175 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000284063600 274066465 /nfs/dbraw/zinc/06/64/65/274066465.db2.gz QCOFABJMHCRZSU-ZBFHGGJFSA-N 2 2 343.431 1.175 20 0 EDADLP CCOC(=O)C1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)CC1 ZINC000284582875 274252765 /nfs/dbraw/zinc/25/27/65/274252765.db2.gz JZVKRGJFFHMXOR-YJJGSOMYSA-N 2 2 348.447 1.451 20 0 EDADLP O=C1C[C@]2(CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905362 274381080 /nfs/dbraw/zinc/38/10/80/274381080.db2.gz UZUZSPONQPTSTL-UYAOXDASSA-N 2 2 343.471 1.490 20 0 EDADLP O=C1C[C@]2(CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905362 274381083 /nfs/dbraw/zinc/38/10/83/274381083.db2.gz UZUZSPONQPTSTL-UYAOXDASSA-N 2 2 343.471 1.490 20 0 EDADLP O=C1C[C@]2(CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905362 274381086 /nfs/dbraw/zinc/38/10/86/274381086.db2.gz UZUZSPONQPTSTL-UYAOXDASSA-N 2 2 343.471 1.490 20 0 EDADLP O=C1C[C@]2(CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905362 274381089 /nfs/dbraw/zinc/38/10/89/274381089.db2.gz UZUZSPONQPTSTL-UYAOXDASSA-N 2 2 343.471 1.490 20 0 EDADLP CC1CC[NH+](CCN2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)CC1 ZINC000368396293 276197255 /nfs/dbraw/zinc/19/72/55/276197255.db2.gz BEUWBVRNPZUYOP-MOPGFXCFSA-N 2 2 338.540 1.055 20 0 EDADLP CC1CC[NH+](CCN2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)CC1 ZINC000368396293 276197257 /nfs/dbraw/zinc/19/72/57/276197257.db2.gz BEUWBVRNPZUYOP-MOPGFXCFSA-N 2 2 338.540 1.055 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000358171558 276231942 /nfs/dbraw/zinc/23/19/42/276231942.db2.gz UCFMIVKJUZSSPU-ULQDDVLXSA-N 2 2 340.512 1.611 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000358171558 276231943 /nfs/dbraw/zinc/23/19/43/276231943.db2.gz UCFMIVKJUZSSPU-ULQDDVLXSA-N 2 2 340.512 1.611 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000343606084 276260259 /nfs/dbraw/zinc/26/02/59/276260259.db2.gz MKGSXDSBOQIWFI-BRWVUGGUSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000343606084 276260261 /nfs/dbraw/zinc/26/02/61/276260261.db2.gz MKGSXDSBOQIWFI-BRWVUGGUSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000343606084 276260263 /nfs/dbraw/zinc/26/02/63/276260263.db2.gz MKGSXDSBOQIWFI-BRWVUGGUSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000343606084 276260264 /nfs/dbraw/zinc/26/02/64/276260264.db2.gz MKGSXDSBOQIWFI-BRWVUGGUSA-N 2 2 325.497 1.866 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000375578354 276378627 /nfs/dbraw/zinc/37/86/27/276378627.db2.gz OZWITTSJTVIEMP-JKSUJKDBSA-N 2 2 349.479 1.671 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000375578354 276378629 /nfs/dbraw/zinc/37/86/29/276378629.db2.gz OZWITTSJTVIEMP-JKSUJKDBSA-N 2 2 349.479 1.671 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccccc1 ZINC000356713400 276390805 /nfs/dbraw/zinc/39/08/05/276390805.db2.gz RBCVSCBUBQOKMC-ROUUACIJSA-N 2 2 346.475 1.453 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccccc1 ZINC000356713400 276390807 /nfs/dbraw/zinc/39/08/07/276390807.db2.gz RBCVSCBUBQOKMC-ROUUACIJSA-N 2 2 346.475 1.453 20 0 EDADLP CCn1nc(C)c(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)c1C ZINC000354862446 276721921 /nfs/dbraw/zinc/72/19/21/276721921.db2.gz RNRDVAYPRXVLQR-CVEARBPZSA-N 2 2 348.470 1.956 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000124382988 277027156 /nfs/dbraw/zinc/02/71/56/277027156.db2.gz QQDAZWAYLNJEJQ-ZDUSSCGKSA-N 2 2 334.291 1.855 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc4ccccc4n3)C2)CC1 ZINC000363339303 277028008 /nfs/dbraw/zinc/02/80/08/277028008.db2.gz UGZWHFPTXKOSGB-CQSZACIVSA-N 2 2 339.443 1.528 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc4ccccc4n3)C2)CC1 ZINC000363339303 277028009 /nfs/dbraw/zinc/02/80/09/277028009.db2.gz UGZWHFPTXKOSGB-CQSZACIVSA-N 2 2 339.443 1.528 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C[C@H]1Cc1ccccc1 ZINC000357175279 277095275 /nfs/dbraw/zinc/09/52/75/277095275.db2.gz FEKGHZFEFDQFLB-RTBURBONSA-N 2 2 327.472 1.999 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C[C@H]1Cc1ccccc1 ZINC000357175279 277095277 /nfs/dbraw/zinc/09/52/77/277095277.db2.gz FEKGHZFEFDQFLB-RTBURBONSA-N 2 2 327.472 1.999 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C[C@H]1Cc1ccccc1 ZINC000357175279 277095278 /nfs/dbraw/zinc/09/52/78/277095278.db2.gz FEKGHZFEFDQFLB-RTBURBONSA-N 2 2 327.472 1.999 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)C[C@H]1Cc1ccccc1 ZINC000357175279 277095279 /nfs/dbraw/zinc/09/52/79/277095279.db2.gz FEKGHZFEFDQFLB-RTBURBONSA-N 2 2 327.472 1.999 20 0 EDADLP CNC(=O)[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000408520895 277253306 /nfs/dbraw/zinc/25/33/06/277253306.db2.gz AGDIRSDNCXCEIJ-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CNC(=O)[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000408520895 277253307 /nfs/dbraw/zinc/25/33/07/277253307.db2.gz AGDIRSDNCXCEIJ-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000341267576 277384441 /nfs/dbraw/zinc/38/44/41/277384441.db2.gz ZXKIKOSWWJWCMX-IRXDYDNUSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000341267576 277384442 /nfs/dbraw/zinc/38/44/42/277384442.db2.gz ZXKIKOSWWJWCMX-IRXDYDNUSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)N1CC[C@H]([NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000336883645 277627448 /nfs/dbraw/zinc/62/74/48/277627448.db2.gz ZUQTYUIWXRHZJJ-SFHVURJKSA-N 2 2 336.524 1.486 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(c1ncnc3c1C[N@H+](C)CC3)C2 ZINC000264433025 278076192 /nfs/dbraw/zinc/07/61/92/278076192.db2.gz KWKPHEJIRSKAIN-UHFFFAOYSA-N 2 2 326.448 1.884 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(c1ncnc3c1C[N@@H+](C)CC3)C2 ZINC000264433025 278076194 /nfs/dbraw/zinc/07/61/94/278076194.db2.gz KWKPHEJIRSKAIN-UHFFFAOYSA-N 2 2 326.448 1.884 20 0 EDADLP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351487925 278180880 /nfs/dbraw/zinc/18/08/80/278180880.db2.gz DLDCETOPXIQSNI-IHRRRGAJSA-N 2 2 342.443 1.419 20 0 EDADLP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351487925 278180882 /nfs/dbraw/zinc/18/08/82/278180882.db2.gz DLDCETOPXIQSNI-IHRRRGAJSA-N 2 2 342.443 1.419 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000340476471 278299777 /nfs/dbraw/zinc/29/97/77/278299777.db2.gz QNCYSAOSRCAWBC-AAEUAGOBSA-N 2 2 340.265 1.826 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000340476471 278299778 /nfs/dbraw/zinc/29/97/78/278299778.db2.gz QNCYSAOSRCAWBC-AAEUAGOBSA-N 2 2 340.265 1.826 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457810770 279116973 /nfs/dbraw/zinc/11/69/73/279116973.db2.gz OKXDCJWOMXIJTI-CRAIPNDOSA-N 2 2 335.492 1.573 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000344225574 279186101 /nfs/dbraw/zinc/18/61/01/279186101.db2.gz NNHNSPAGCPHRHE-HNNXBMFYSA-N 3 2 329.448 1.776 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000104140448 279277883 /nfs/dbraw/zinc/27/78/83/279277883.db2.gz CNCHISNMDRMUKC-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000104140448 279277885 /nfs/dbraw/zinc/27/78/85/279277885.db2.gz CNCHISNMDRMUKC-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363014338 279287899 /nfs/dbraw/zinc/28/78/99/279287899.db2.gz JEERBKLDKUHSCH-IXDOHACOSA-N 2 2 325.497 1.674 20 0 EDADLP CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363014338 279287900 /nfs/dbraw/zinc/28/79/00/279287900.db2.gz JEERBKLDKUHSCH-IXDOHACOSA-N 2 2 325.497 1.674 20 0 EDADLP CC[NH+]1CCCN(C(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363014338 279287901 /nfs/dbraw/zinc/28/79/01/279287901.db2.gz JEERBKLDKUHSCH-IXDOHACOSA-N 2 2 325.497 1.674 20 0 EDADLP CC[NH+]1CCCN(C(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363014338 279287902 /nfs/dbraw/zinc/28/79/02/279287902.db2.gz JEERBKLDKUHSCH-IXDOHACOSA-N 2 2 325.497 1.674 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346922489 279335423 /nfs/dbraw/zinc/33/54/23/279335423.db2.gz KTYNGCIVSDYGCR-RYRKJORJSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346922489 279335425 /nfs/dbraw/zinc/33/54/25/279335425.db2.gz KTYNGCIVSDYGCR-RYRKJORJSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346922489 279335428 /nfs/dbraw/zinc/33/54/28/279335428.db2.gz KTYNGCIVSDYGCR-RYRKJORJSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346922489 279335432 /nfs/dbraw/zinc/33/54/32/279335432.db2.gz KTYNGCIVSDYGCR-RYRKJORJSA-N 2 2 349.523 1.990 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000362842870 280001237 /nfs/dbraw/zinc/00/12/37/280001237.db2.gz NGHUVNIWIVIDJU-JYJNAYRXSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000362842870 280001239 /nfs/dbraw/zinc/00/12/39/280001239.db2.gz NGHUVNIWIVIDJU-JYJNAYRXSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000287548255 288263143 /nfs/dbraw/zinc/26/31/43/288263143.db2.gz ORLKTHLHSPSPDC-HNNXBMFYSA-N 2 2 343.431 1.080 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000287543601 288261997 /nfs/dbraw/zinc/26/19/97/288261997.db2.gz OLHSCJPHSSSHGP-CYBMUJFWSA-N 2 2 334.420 1.800 20 0 EDADLP Cn1c[nH+]cc1CN(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000289784715 288778516 /nfs/dbraw/zinc/77/85/16/288778516.db2.gz LMBLPUOGIKXORV-UHFFFAOYSA-N 2 2 329.448 1.540 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(O)ccc2Cl)CC1 ZINC000290277356 288870657 /nfs/dbraw/zinc/87/06/57/288870657.db2.gz CQLWEJRBGPQQHM-UHFFFAOYSA-N 2 2 325.840 1.801 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000290499120 288907660 /nfs/dbraw/zinc/90/76/60/288907660.db2.gz VPERISYKKXQCMK-ARFHVFGLSA-N 2 2 349.479 1.139 20 0 EDADLP CCOC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)[nH]c1C ZINC000291469755 289076709 /nfs/dbraw/zinc/07/67/09/289076709.db2.gz OZGJMBMBABKEPR-QGZVFWFLSA-N 2 2 348.491 1.712 20 0 EDADLP CCOC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)[nH]c1C ZINC000291469755 289076711 /nfs/dbraw/zinc/07/67/11/289076711.db2.gz OZGJMBMBABKEPR-QGZVFWFLSA-N 2 2 348.491 1.712 20 0 EDADLP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352510483 289281612 /nfs/dbraw/zinc/28/16/12/289281612.db2.gz NOQNQZJUTHMBDX-AEFFLSMTSA-N 2 2 342.487 1.334 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000247109278 289301690 /nfs/dbraw/zinc/30/16/90/289301690.db2.gz RAPBEUCBJNOWDB-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000247109278 289301693 /nfs/dbraw/zinc/30/16/93/289301693.db2.gz RAPBEUCBJNOWDB-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000341003069 289484234 /nfs/dbraw/zinc/48/42/34/289484234.db2.gz FVBLAGNNSAUSCR-CYBMUJFWSA-N 2 2 335.473 1.800 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000265144186 289774820 /nfs/dbraw/zinc/77/48/20/289774820.db2.gz JXDWEFNHLMUEJQ-SFHVURJKSA-N 2 2 342.443 1.577 20 0 EDADLP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCCC[NH3+])c2cccs2)CCO1 ZINC000417809917 297069725 /nfs/dbraw/zinc/06/97/25/297069725.db2.gz BNCJGXZROXBQFQ-OLZOCXBDSA-N 2 2 326.466 1.158 20 0 EDADLP C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCCC[NH3+])c2cccs2)CCO1 ZINC000417809917 297069727 /nfs/dbraw/zinc/06/97/27/297069727.db2.gz BNCJGXZROXBQFQ-OLZOCXBDSA-N 2 2 326.466 1.158 20 0 EDADLP COc1ccc([C@H]2CCCN2C(=O)C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000342099304 295248509 /nfs/dbraw/zinc/24/85/09/295248509.db2.gz JCZCGFUYKSAKOP-OAHLLOKOSA-N 2 2 347.459 1.838 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3F)C2=O)CC12CCOCC2 ZINC000420322384 295276414 /nfs/dbraw/zinc/27/64/14/295276414.db2.gz DYJVNOWHLQXUAL-WMLDXEAASA-N 2 2 347.434 1.618 20 0 EDADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN(c3ccccc3F)C2=O)CC12CCOCC2 ZINC000420322384 295276416 /nfs/dbraw/zinc/27/64/16/295276416.db2.gz DYJVNOWHLQXUAL-WMLDXEAASA-N 2 2 347.434 1.618 20 0 EDADLP C[C@@H]1CSCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496553318 297178734 /nfs/dbraw/zinc/17/87/34/297178734.db2.gz SHZLKIFSAFTJBH-BBRMVZONSA-N 2 2 325.478 1.545 20 0 EDADLP C[C@@H]1CSCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496553318 297178738 /nfs/dbraw/zinc/17/87/38/297178738.db2.gz SHZLKIFSAFTJBH-BBRMVZONSA-N 2 2 325.478 1.545 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000418616773 304519759 /nfs/dbraw/zinc/51/97/59/304519759.db2.gz HBUXLHWUVLNVPV-LSDHHAIUSA-N 2 2 334.464 1.691 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418633221 304522114 /nfs/dbraw/zinc/52/21/14/304522114.db2.gz CUYGRUQKSYJCIA-INIZCTEOSA-N 2 2 334.464 1.885 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c(C)c1 ZINC000420363798 304752156 /nfs/dbraw/zinc/75/21/56/304752156.db2.gz JUCJULRDQBXBPT-SUYBPPKGSA-N 2 2 332.448 1.928 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420379602 304753805 /nfs/dbraw/zinc/75/38/05/304753805.db2.gz XRPFXCJFBCPCOU-IIYDPXPESA-N 2 2 333.432 1.778 20 0 EDADLP CC[C@H](C(=O)OC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422027778 447316712 /nfs/dbraw/zinc/31/67/12/447316712.db2.gz WWXXDAOFLUAVPA-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP CC[C@H](C(=O)OC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422027778 447316714 /nfs/dbraw/zinc/31/67/14/447316714.db2.gz WWXXDAOFLUAVPA-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000456201066 447319987 /nfs/dbraw/zinc/31/99/87/447319987.db2.gz BGIIZJCAGCTZHI-FGTMMUONSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000456201066 447319989 /nfs/dbraw/zinc/31/99/89/447319989.db2.gz BGIIZJCAGCTZHI-FGTMMUONSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000456201066 447319990 /nfs/dbraw/zinc/31/99/90/447319990.db2.gz BGIIZJCAGCTZHI-FGTMMUONSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000456201066 447319998 /nfs/dbraw/zinc/31/99/98/447319998.db2.gz BGIIZJCAGCTZHI-FGTMMUONSA-N 2 2 329.444 1.240 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000456206287 447326169 /nfs/dbraw/zinc/32/61/69/447326169.db2.gz DSJCPNMDBCFQKB-BBWFWOEESA-N 2 2 345.487 1.347 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000456206287 447326175 /nfs/dbraw/zinc/32/61/75/447326175.db2.gz DSJCPNMDBCFQKB-BBWFWOEESA-N 2 2 345.487 1.347 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000456206287 447326181 /nfs/dbraw/zinc/32/61/81/447326181.db2.gz DSJCPNMDBCFQKB-BBWFWOEESA-N 2 2 345.487 1.347 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000456206287 447326186 /nfs/dbraw/zinc/32/61/86/447326186.db2.gz DSJCPNMDBCFQKB-BBWFWOEESA-N 2 2 345.487 1.347 20 0 EDADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293954782 303043773 /nfs/dbraw/zinc/04/37/73/303043773.db2.gz SHXDWTOJHHEZLQ-AWEZNQCLSA-N 2 2 326.360 1.052 20 0 EDADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293954782 303043775 /nfs/dbraw/zinc/04/37/75/303043775.db2.gz SHXDWTOJHHEZLQ-AWEZNQCLSA-N 2 2 326.360 1.052 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000294346035 303094767 /nfs/dbraw/zinc/09/47/67/303094767.db2.gz KBHGRMFXSZBHDG-GFCCVEGCSA-N 2 2 346.435 1.196 20 0 EDADLP COC(=O)COC[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000295588814 303238597 /nfs/dbraw/zinc/23/85/97/303238597.db2.gz FANSDOVGUJSMPP-UKRRQHHQSA-N 2 2 336.436 1.212 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@H]1C ZINC000297066966 303358592 /nfs/dbraw/zinc/35/85/92/303358592.db2.gz UDIASBGMAMZGMA-CQSZACIVSA-N 2 2 331.420 1.827 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)C[C@H]1C ZINC000297066966 303358593 /nfs/dbraw/zinc/35/85/93/303358593.db2.gz UDIASBGMAMZGMA-CQSZACIVSA-N 2 2 331.420 1.827 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000456207911 447328521 /nfs/dbraw/zinc/32/85/21/447328521.db2.gz HTCYLRPUOCRLFO-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000456207911 447328526 /nfs/dbraw/zinc/32/85/26/447328526.db2.gz HTCYLRPUOCRLFO-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000456207911 447328533 /nfs/dbraw/zinc/32/85/33/447328533.db2.gz HTCYLRPUOCRLFO-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000456207911 447328541 /nfs/dbraw/zinc/32/85/41/447328541.db2.gz HTCYLRPUOCRLFO-IXDOHACOSA-N 2 2 333.476 1.420 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)n1 ZINC000301815596 303697122 /nfs/dbraw/zinc/69/71/22/303697122.db2.gz IWCIPVKSGIPVKG-GFCCVEGCSA-N 2 2 343.460 1.584 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000458381804 447336114 /nfs/dbraw/zinc/33/61/14/447336114.db2.gz QQCNDDILALGRJN-OAHLLOKOSA-N 2 2 329.448 1.782 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000458381804 447336120 /nfs/dbraw/zinc/33/61/20/447336120.db2.gz QQCNDDILALGRJN-OAHLLOKOSA-N 2 2 329.448 1.782 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000458394381 447343354 /nfs/dbraw/zinc/34/33/54/447343354.db2.gz CGFIVQQACLKPQJ-SFHVURJKSA-N 2 2 341.459 1.926 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000458394381 447343358 /nfs/dbraw/zinc/34/33/58/447343358.db2.gz CGFIVQQACLKPQJ-SFHVURJKSA-N 2 2 341.459 1.926 20 0 EDADLP O=C1CC2(CN1)CC[NH+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000420916296 304783754 /nfs/dbraw/zinc/78/37/54/304783754.db2.gz OGGDJCNDJIAANA-UHFFFAOYSA-N 2 2 343.471 1.621 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422625269 304875082 /nfs/dbraw/zinc/87/50/82/304875082.db2.gz BCUVUEYPDLSZSB-UHFFFAOYSA-N 2 2 345.487 1.969 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000422915838 304880034 /nfs/dbraw/zinc/88/00/34/304880034.db2.gz ZFOQPJKCKKDNET-HZPDHXFCSA-N 3 2 341.496 1.008 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493583027 447347849 /nfs/dbraw/zinc/34/78/49/447347849.db2.gz UKMZPTWPFYDQEU-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000493583027 447347853 /nfs/dbraw/zinc/34/78/53/447347853.db2.gz UKMZPTWPFYDQEU-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP COC(=O)[C@](C)(C[NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000425333191 304961436 /nfs/dbraw/zinc/96/14/36/304961436.db2.gz DVBGDPHVOLYNTK-GOSISDBHSA-N 2 2 330.432 1.707 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428040667 305005024 /nfs/dbraw/zinc/00/50/24/305005024.db2.gz XNYGXRAHUSNZSV-WMZOPIPTSA-N 2 2 331.460 1.775 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428040667 305005025 /nfs/dbraw/zinc/00/50/25/305005025.db2.gz XNYGXRAHUSNZSV-WMZOPIPTSA-N 2 2 331.460 1.775 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428052717 305006000 /nfs/dbraw/zinc/00/60/00/305006000.db2.gz ZVIWKYCWJYJZET-SJLPKXTDSA-N 2 2 331.460 1.523 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428052717 305006001 /nfs/dbraw/zinc/00/60/01/305006001.db2.gz ZVIWKYCWJYJZET-SJLPKXTDSA-N 2 2 331.460 1.523 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@]1(C)CCCO1 ZINC000428231691 305008553 /nfs/dbraw/zinc/00/85/53/305008553.db2.gz SGYYIEQPCJNEJO-WMZOPIPTSA-N 2 2 333.480 1.536 20 0 EDADLP COC1(C[C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCC1 ZINC000429526322 305031339 /nfs/dbraw/zinc/03/13/39/305031339.db2.gz ISYSYFAZWUZPSK-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP COC1(C[C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCC1 ZINC000429526322 305031340 /nfs/dbraw/zinc/03/13/40/305031340.db2.gz ISYSYFAZWUZPSK-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP COC1(C[C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCC1 ZINC000429526321 305031483 /nfs/dbraw/zinc/03/14/83/305031483.db2.gz ISYSYFAZWUZPSK-HZPDHXFCSA-N 2 2 325.497 1.866 20 0 EDADLP COC1(C[C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCC1 ZINC000429526321 305031484 /nfs/dbraw/zinc/03/14/84/305031484.db2.gz ISYSYFAZWUZPSK-HZPDHXFCSA-N 2 2 325.497 1.866 20 0 EDADLP CN(Cc1ccon1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000430411048 305052689 /nfs/dbraw/zinc/05/26/89/305052689.db2.gz STUUCNKXSCLBFF-KRWDZBQOSA-N 2 2 339.399 1.448 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000430585590 305057165 /nfs/dbraw/zinc/05/71/65/305057165.db2.gz QXVALRDKJRNESH-IBGZPJMESA-N 2 2 346.519 1.949 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000430585590 305057166 /nfs/dbraw/zinc/05/71/66/305057166.db2.gz QXVALRDKJRNESH-IBGZPJMESA-N 2 2 346.519 1.949 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430604371 305058131 /nfs/dbraw/zinc/05/81/31/305058131.db2.gz QAZFOMGQPBLMCF-UHFFFAOYSA-N 2 2 333.476 1.989 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430604371 305058132 /nfs/dbraw/zinc/05/81/32/305058132.db2.gz QAZFOMGQPBLMCF-UHFFFAOYSA-N 2 2 333.476 1.989 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCOc2cccc(C)c2)C1 ZINC000430620742 305059519 /nfs/dbraw/zinc/05/95/19/305059519.db2.gz BQXMSDYBXOGDGR-SJORKVTESA-N 2 2 333.476 1.810 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCOc2cccc(C)c2)C1 ZINC000430620742 305059520 /nfs/dbraw/zinc/05/95/20/305059520.db2.gz BQXMSDYBXOGDGR-SJORKVTESA-N 2 2 333.476 1.810 20 0 EDADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430706395 305063048 /nfs/dbraw/zinc/06/30/48/305063048.db2.gz MXAUPOFENAFEKD-XWTMOSNGSA-N 2 2 337.508 1.724 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000430747252 305063917 /nfs/dbraw/zinc/06/39/17/305063917.db2.gz LDWHVCGPDPYKDV-NVXWUHKLSA-N 2 2 335.448 1.168 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)C2=O)c1 ZINC000430921003 305068146 /nfs/dbraw/zinc/06/81/46/305068146.db2.gz WXFVTJYJWWJFDR-ZLIFDBKOSA-N 2 2 333.432 1.478 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)C2=O)c1 ZINC000430921003 305068147 /nfs/dbraw/zinc/06/81/47/305068147.db2.gz WXFVTJYJWWJFDR-ZLIFDBKOSA-N 2 2 333.432 1.478 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@H]1[NH3+] ZINC000430945472 305069943 /nfs/dbraw/zinc/06/99/43/305069943.db2.gz XQJNJKUMTDQVQT-GDBMZVCRSA-N 2 2 334.439 1.143 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@H]1[NH3+] ZINC000430945472 305069944 /nfs/dbraw/zinc/06/99/44/305069944.db2.gz XQJNJKUMTDQVQT-GDBMZVCRSA-N 2 2 334.439 1.143 20 0 EDADLP C[C@@H]1C[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000430952268 305070378 /nfs/dbraw/zinc/07/03/78/305070378.db2.gz YLAXTDNRVKVUTE-CJNGLKHVSA-N 2 2 326.462 1.528 20 0 EDADLP C[C@@H]1C[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000430952268 305070379 /nfs/dbraw/zinc/07/03/79/305070379.db2.gz YLAXTDNRVKVUTE-CJNGLKHVSA-N 2 2 326.462 1.528 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@@H]1[NH3+] ZINC000430958897 305070911 /nfs/dbraw/zinc/07/09/11/305070911.db2.gz ZUNICORXHAEBMZ-HOCLYGCPSA-N 2 2 336.505 1.061 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@@H]1[NH3+] ZINC000430958897 305070912 /nfs/dbraw/zinc/07/09/12/305070912.db2.gz ZUNICORXHAEBMZ-HOCLYGCPSA-N 2 2 336.505 1.061 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430960833 305071001 /nfs/dbraw/zinc/07/10/01/305071001.db2.gz ACUOZRRCDQEFDI-WMLDXEAASA-N 2 2 327.432 1.158 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430960833 305071002 /nfs/dbraw/zinc/07/10/02/305071002.db2.gz ACUOZRRCDQEFDI-WMLDXEAASA-N 2 2 327.432 1.158 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430966199 305071372 /nfs/dbraw/zinc/07/13/72/305071372.db2.gz NZTKDGHMCVPATL-HUUCEWRRSA-N 2 2 344.459 1.682 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430966199 305071373 /nfs/dbraw/zinc/07/13/73/305071373.db2.gz NZTKDGHMCVPATL-HUUCEWRRSA-N 2 2 344.459 1.682 20 0 EDADLP COCC[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]C1 ZINC000431054933 305073886 /nfs/dbraw/zinc/07/38/86/305073886.db2.gz VJVPKHXKFWVDOA-SFHVURJKSA-N 2 2 346.406 1.644 20 0 EDADLP c1coc(C[NH+]2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)c1 ZINC000433600713 305111517 /nfs/dbraw/zinc/11/15/17/305111517.db2.gz SWLDITDMPPKZAM-UHFFFAOYSA-N 2 2 345.472 1.945 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)c1 ZINC000434660673 305126585 /nfs/dbraw/zinc/12/65/85/305126585.db2.gz DIPXUNKZTYDXSN-LJQANCHMSA-N 2 2 345.487 1.931 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)c1 ZINC000434660673 305126586 /nfs/dbraw/zinc/12/65/86/305126586.db2.gz DIPXUNKZTYDXSN-LJQANCHMSA-N 2 2 345.487 1.931 20 0 EDADLP c1ccc(NCCCCNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)[nH+]c1 ZINC000435346507 305138456 /nfs/dbraw/zinc/13/84/56/305138456.db2.gz BWYSTZXRTXWFCE-OAHLLOKOSA-N 2 2 342.447 1.611 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@H]1CCCCO1)[C@H]1CC12CC[NH2+]CC2 ZINC000435563529 305142410 /nfs/dbraw/zinc/14/24/10/305142410.db2.gz MLRNGPLGKFVYQV-CABCVRRESA-N 2 2 332.448 1.460 20 0 EDADLP Cc1ncncc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435559972 305142440 /nfs/dbraw/zinc/14/24/40/305142440.db2.gz SIVUQOJMFOTXLP-HNNXBMFYSA-N 2 2 340.431 1.303 20 0 EDADLP CCC[N@H+](C)CC(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435572403 305142841 /nfs/dbraw/zinc/14/28/41/305142841.db2.gz FIVOVOOGZIIRAT-MRXNPFEDSA-N 3 2 347.507 1.716 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435572403 305142842 /nfs/dbraw/zinc/14/28/42/305142842.db2.gz FIVOVOOGZIIRAT-MRXNPFEDSA-N 3 2 347.507 1.716 20 0 EDADLP Cn1cc[nH+]c1CN(CC(=O)NC(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000435684141 305145162 /nfs/dbraw/zinc/14/51/62/305145162.db2.gz RXUCSANMEFQIKK-AWEZNQCLSA-N 2 2 333.480 1.279 20 0 EDADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cc(C(N)=O)no2)CC1 ZINC000449237565 305309119 /nfs/dbraw/zinc/30/91/19/305309119.db2.gz CAOBRKBFPFOFHO-AWEZNQCLSA-N 2 2 342.443 1.959 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CCO1 ZINC000449338278 305311826 /nfs/dbraw/zinc/31/18/26/305311826.db2.gz UVBNCMFNAVGLEM-LJQANCHMSA-N 2 2 331.460 1.145 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CCO1 ZINC000449338278 305311827 /nfs/dbraw/zinc/31/18/27/305311827.db2.gz UVBNCMFNAVGLEM-LJQANCHMSA-N 2 2 331.460 1.145 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451218722 305334383 /nfs/dbraw/zinc/33/43/83/305334383.db2.gz BRFVIOUKWRIUJN-IJXRJRJASA-N 2 2 329.488 1.960 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451218722 305334384 /nfs/dbraw/zinc/33/43/84/305334384.db2.gz BRFVIOUKWRIUJN-IJXRJRJASA-N 2 2 329.488 1.960 20 0 EDADLP CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000451945941 305372998 /nfs/dbraw/zinc/37/29/98/305372998.db2.gz KBLGAVRIGDNRGC-JCURWCKSSA-N 2 2 344.415 1.797 20 0 EDADLP C[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCN1C(=O)c1cnn(C)c1 ZINC000452050548 305380266 /nfs/dbraw/zinc/38/02/66/305380266.db2.gz JXXAJERJNDUHPG-DOTOQJQBSA-N 2 2 333.480 1.441 20 0 EDADLP C[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCN1C(=O)c1cnn(C)c1 ZINC000452050548 305380267 /nfs/dbraw/zinc/38/02/67/305380267.db2.gz JXXAJERJNDUHPG-DOTOQJQBSA-N 2 2 333.480 1.441 20 0 EDADLP C[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCN1C(=O)c1cnn(C)c1 ZINC000452050548 305380268 /nfs/dbraw/zinc/38/02/68/305380268.db2.gz JXXAJERJNDUHPG-DOTOQJQBSA-N 2 2 333.480 1.441 20 0 EDADLP C[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCN1C(=O)c1cnn(C)c1 ZINC000452050548 305380269 /nfs/dbraw/zinc/38/02/69/305380269.db2.gz JXXAJERJNDUHPG-DOTOQJQBSA-N 2 2 333.480 1.441 20 0 EDADLP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000497141523 305686170 /nfs/dbraw/zinc/68/61/70/305686170.db2.gz DIEJQIDAHWNDMG-UHFFFAOYSA-N 2 2 346.435 1.744 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000514732920 305703848 /nfs/dbraw/zinc/70/38/48/305703848.db2.gz NXHDZXCMUIRTCM-KDOFPFPSSA-N 2 2 347.459 1.475 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530220743 305934599 /nfs/dbraw/zinc/93/45/99/305934599.db2.gz AQTURDPXMMIWCA-IAGOWNOFSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000534306276 306005645 /nfs/dbraw/zinc/00/56/45/306005645.db2.gz NJFRJIACUYKBTQ-CQSZACIVSA-N 3 2 349.504 1.209 20 0 EDADLP C[N@@H+](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000534306276 306005646 /nfs/dbraw/zinc/00/56/46/306005646.db2.gz NJFRJIACUYKBTQ-CQSZACIVSA-N 3 2 349.504 1.209 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H](C)O1 ZINC000537547976 306027324 /nfs/dbraw/zinc/02/73/24/306027324.db2.gz BVRLHZJZELKVKY-GJZGRUSLSA-N 2 2 334.464 1.377 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000550644401 306153525 /nfs/dbraw/zinc/15/35/25/306153525.db2.gz FYJSEGRKPANYQD-CQSZACIVSA-N 2 2 334.445 1.188 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000550644401 306153526 /nfs/dbraw/zinc/15/35/26/306153526.db2.gz FYJSEGRKPANYQD-CQSZACIVSA-N 2 2 334.445 1.188 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C[N@@H+]1C1CC1 ZINC000551064054 306155661 /nfs/dbraw/zinc/15/56/61/306155661.db2.gz MCUBNTOSAPWBKZ-DFHBCGBQSA-N 2 2 349.500 1.926 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C[N@H+]1C1CC1 ZINC000551064054 306155662 /nfs/dbraw/zinc/15/56/62/306155662.db2.gz MCUBNTOSAPWBKZ-DFHBCGBQSA-N 2 2 349.500 1.926 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000551942286 306169774 /nfs/dbraw/zinc/16/97/74/306169774.db2.gz AMGQPNPOGBVOKD-SFHVURJKSA-N 2 2 344.459 1.754 20 0 EDADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000414957037 447374097 /nfs/dbraw/zinc/37/40/97/447374097.db2.gz BFVREZOKOUNDJO-LBPRGKRZSA-N 2 2 328.254 1.451 20 0 EDADLP COC[C@@]1(C[NH2+]Cc2ccnn2-c2ccccc2OC)CCC[NH2+]1 ZINC000414960630 447375316 /nfs/dbraw/zinc/37/53/16/447375316.db2.gz UFYCUAXXMWDNIY-SFHVURJKSA-N 2 2 330.432 1.739 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000414966725 447376991 /nfs/dbraw/zinc/37/69/91/447376991.db2.gz PHFJDRXZHHZIDD-GFCCVEGCSA-N 2 2 338.253 1.090 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414962629 447375735 /nfs/dbraw/zinc/37/57/35/447375735.db2.gz JXMCXEGCLNLNFM-UHFFFAOYSA-N 2 2 342.390 1.277 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000493855663 447412611 /nfs/dbraw/zinc/41/26/11/447412611.db2.gz KTPUFEMUYUTQSD-MYOVTOPRSA-N 2 2 340.427 1.422 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000493855663 447412617 /nfs/dbraw/zinc/41/26/17/447412617.db2.gz KTPUFEMUYUTQSD-MYOVTOPRSA-N 2 2 340.427 1.422 20 0 EDADLP O[C@H](COCc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011417 441103132 /nfs/dbraw/zinc/10/31/32/441103132.db2.gz SDSNFMAWFARUCA-UXHICEINSA-N 2 2 348.487 1.608 20 0 EDADLP O[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011417 441103136 /nfs/dbraw/zinc/10/31/36/441103136.db2.gz SDSNFMAWFARUCA-UXHICEINSA-N 2 2 348.487 1.608 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[NH+](C2CC2)CC1 ZINC000105142720 441237865 /nfs/dbraw/zinc/23/78/65/441237865.db2.gz IGQFHEKSQPITGN-UHFFFAOYSA-N 2 2 329.448 1.540 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000104842480 441215414 /nfs/dbraw/zinc/21/54/14/441215414.db2.gz LOESWPUFXKGPFY-IBGZPJMESA-N 2 2 344.503 1.528 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c1 ZINC000104963966 441226012 /nfs/dbraw/zinc/22/60/12/441226012.db2.gz UYACJGYSNJRKFI-OAHLLOKOSA-N 2 2 332.448 1.613 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000072794101 441258720 /nfs/dbraw/zinc/25/87/20/441258720.db2.gz NRLWSHXXOPXACH-UHFFFAOYSA-N 2 2 332.448 1.055 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000072860204 441270912 /nfs/dbraw/zinc/27/09/12/441270912.db2.gz WBZVEXAMONREEW-GJZGRUSLSA-N 2 2 338.496 1.807 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000072860204 441270916 /nfs/dbraw/zinc/27/09/16/441270916.db2.gz WBZVEXAMONREEW-GJZGRUSLSA-N 2 2 338.496 1.807 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000072860204 441270920 /nfs/dbraw/zinc/27/09/20/441270920.db2.gz WBZVEXAMONREEW-GJZGRUSLSA-N 2 2 338.496 1.807 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000072860204 441270922 /nfs/dbraw/zinc/27/09/22/441270922.db2.gz WBZVEXAMONREEW-GJZGRUSLSA-N 2 2 338.496 1.807 20 0 EDADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000061863879 441290710 /nfs/dbraw/zinc/29/07/10/441290710.db2.gz JLWWZKBUZSRAIV-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000061863879 441290715 /nfs/dbraw/zinc/29/07/15/441290715.db2.gz JLWWZKBUZSRAIV-MRXNPFEDSA-N 2 2 348.491 1.658 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000048869679 441335003 /nfs/dbraw/zinc/33/50/03/441335003.db2.gz CKWSJWGEAVTAIO-CQSZACIVSA-N 2 2 344.419 1.003 20 0 EDADLP CC[NH+](CC)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000063781769 441354443 /nfs/dbraw/zinc/35/44/43/441354443.db2.gz YJYBVZNMVPYXES-GOSISDBHSA-N 2 2 333.476 1.826 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCCCNc1cccc[nH+]1 ZINC000106584001 441360808 /nfs/dbraw/zinc/36/08/08/441360808.db2.gz BCYFYRILHYMZJY-MRXNPFEDSA-N 2 2 348.495 1.209 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000074201810 441407425 /nfs/dbraw/zinc/40/74/25/441407425.db2.gz KJVCESSGGQEOMW-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000074201810 441407429 /nfs/dbraw/zinc/40/74/29/441407429.db2.gz KJVCESSGGQEOMW-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP COC(=O)N1CC[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000051451701 441411371 /nfs/dbraw/zinc/41/13/71/441411371.db2.gz GRIKQGWQZDLADP-HNNXBMFYSA-N 2 2 346.431 1.398 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ncc(C)c(OC)c3C)C2)CC1 ZINC000107368701 441412473 /nfs/dbraw/zinc/41/24/73/441412473.db2.gz GSXKADJDCXCNJV-KRWDZBQOSA-N 2 2 332.492 1.919 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncc(C)c(OC)c3C)C2)CC1 ZINC000107368701 441412477 /nfs/dbraw/zinc/41/24/77/441412477.db2.gz GSXKADJDCXCNJV-KRWDZBQOSA-N 2 2 332.492 1.919 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(Cc3[nH+]cc(C)c(OC)c3C)C2)CC1 ZINC000107368701 441412479 /nfs/dbraw/zinc/41/24/79/441412479.db2.gz GSXKADJDCXCNJV-KRWDZBQOSA-N 2 2 332.492 1.919 20 0 EDADLP Cc1cc(C)cc(OCCC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000051762621 441422695 /nfs/dbraw/zinc/42/26/95/441422695.db2.gz NEVYWWXUTFRKFM-UHFFFAOYSA-N 2 2 333.476 1.778 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000085387117 441435959 /nfs/dbraw/zinc/43/59/59/441435959.db2.gz IDPRAZXFMBMACI-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000085387117 441435962 /nfs/dbraw/zinc/43/59/62/441435962.db2.gz IDPRAZXFMBMACI-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000074676286 441456541 /nfs/dbraw/zinc/45/65/41/441456541.db2.gz KADMUYCYLXYQMF-UHFFFAOYSA-N 3 2 349.523 1.881 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000074676286 441456546 /nfs/dbraw/zinc/45/65/46/441456546.db2.gz KADMUYCYLXYQMF-UHFFFAOYSA-N 3 2 349.523 1.881 20 0 EDADLP CC(C)[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000112979697 441574197 /nfs/dbraw/zinc/57/41/97/441574197.db2.gz NAEAZKCMLZVFLG-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP CC(C)[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCC1 ZINC000112979697 441574201 /nfs/dbraw/zinc/57/42/01/441574201.db2.gz NAEAZKCMLZVFLG-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000066861611 441576793 /nfs/dbraw/zinc/57/67/93/441576793.db2.gz XNAQZXGARNTDEL-UHFFFAOYSA-N 2 2 337.439 1.820 20 0 EDADLP O=C(CC[N@@H+]1CCOC[C@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000090007965 441612319 /nfs/dbraw/zinc/61/23/19/441612319.db2.gz ACNPKNFRUWRNIW-KRWDZBQOSA-N 2 2 344.459 1.231 20 0 EDADLP O=C(CC[N@H+]1CCOC[C@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000090007965 441612322 /nfs/dbraw/zinc/61/23/22/441612322.db2.gz ACNPKNFRUWRNIW-KRWDZBQOSA-N 2 2 344.459 1.231 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCSC1 ZINC000089938853 441600261 /nfs/dbraw/zinc/60/02/61/441600261.db2.gz UNWAPUNFGREKNB-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCSC1 ZINC000089938853 441600265 /nfs/dbraw/zinc/60/02/65/441600265.db2.gz UNWAPUNFGREKNB-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP O=C(C[N@@H+]1CCCSCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000089985550 441609873 /nfs/dbraw/zinc/60/98/73/441609873.db2.gz ZKGYMWBMRYIVRK-UHFFFAOYSA-N 2 2 349.500 1.896 20 0 EDADLP O=C(C[N@H+]1CCCSCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000089985550 441609876 /nfs/dbraw/zinc/60/98/76/441609876.db2.gz ZKGYMWBMRYIVRK-UHFFFAOYSA-N 2 2 349.500 1.896 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)ccc2n1C ZINC000076270605 441620069 /nfs/dbraw/zinc/62/00/69/441620069.db2.gz NANBTSNJIOFWGP-LLVKDONJSA-N 2 2 331.420 1.277 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H]1CCCO1 ZINC000076297752 441624968 /nfs/dbraw/zinc/62/49/68/441624968.db2.gz SYCBCEOHGMZUTA-MRXNPFEDSA-N 2 2 337.489 1.503 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H]1CCCO1 ZINC000076297752 441624974 /nfs/dbraw/zinc/62/49/74/441624974.db2.gz SYCBCEOHGMZUTA-MRXNPFEDSA-N 2 2 337.489 1.503 20 0 EDADLP Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000114478162 441662374 /nfs/dbraw/zinc/66/23/74/441662374.db2.gz OYHMVFKRCWOIRE-INIZCTEOSA-N 2 2 346.475 1.275 20 0 EDADLP Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000114478162 441662375 /nfs/dbraw/zinc/66/23/75/441662375.db2.gz OYHMVFKRCWOIRE-INIZCTEOSA-N 2 2 346.475 1.275 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113515778 441613273 /nfs/dbraw/zinc/61/32/73/441613273.db2.gz HPBUZDPPCAMRIQ-OAHLLOKOSA-N 2 2 325.478 1.320 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113515778 441613275 /nfs/dbraw/zinc/61/32/75/441613275.db2.gz HPBUZDPPCAMRIQ-OAHLLOKOSA-N 2 2 325.478 1.320 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000121492820 441716410 /nfs/dbraw/zinc/71/64/10/441716410.db2.gz WMMQRRIAAQAAFK-KRWDZBQOSA-N 3 2 349.523 1.214 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000121492820 441716419 /nfs/dbraw/zinc/71/64/19/441716419.db2.gz WMMQRRIAAQAAFK-KRWDZBQOSA-N 3 2 349.523 1.214 20 0 EDADLP COc1cc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)cc(OC)c1 ZINC000077120200 441719997 /nfs/dbraw/zinc/71/99/97/441719997.db2.gz OBDVHWVIHIHMPS-UHFFFAOYSA-N 2 2 330.432 1.718 20 0 EDADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cccc(CO)c1 ZINC000121833285 441791022 /nfs/dbraw/zinc/79/10/22/441791022.db2.gz YQFTWSVQFAAUQN-KRWDZBQOSA-N 2 2 335.492 1.220 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCC[NH+]2Cc3ccccc3C2)c[nH+]1 ZINC000068407830 441792032 /nfs/dbraw/zinc/79/20/32/441792032.db2.gz QABRFVXAXMRNEO-UHFFFAOYSA-N 2 2 339.443 1.963 20 0 EDADLP C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173966013 441870558 /nfs/dbraw/zinc/87/05/58/441870558.db2.gz BBIGLEBLTQUMBF-WMZOPIPTSA-N 2 2 331.460 1.298 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173966013 441870563 /nfs/dbraw/zinc/87/05/63/441870563.db2.gz BBIGLEBLTQUMBF-WMZOPIPTSA-N 2 2 331.460 1.298 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000093045906 441853325 /nfs/dbraw/zinc/85/33/25/441853325.db2.gz QRJKYRPXIHBJAZ-UHFFFAOYSA-N 2 2 339.509 1.195 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173881525 441855169 /nfs/dbraw/zinc/85/51/69/441855169.db2.gz VGKUVYMYWTWMJI-SFHVURJKSA-N 2 2 339.524 1.973 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173881525 441855176 /nfs/dbraw/zinc/85/51/76/441855176.db2.gz VGKUVYMYWTWMJI-SFHVURJKSA-N 2 2 339.524 1.973 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[C@@H]1O ZINC000078480107 441934836 /nfs/dbraw/zinc/93/48/36/441934836.db2.gz WWORVCHBVKKCIB-MSOLQXFVSA-N 2 2 331.460 1.176 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[C@@H]1O ZINC000078480107 441934845 /nfs/dbraw/zinc/93/48/45/441934845.db2.gz WWORVCHBVKKCIB-MSOLQXFVSA-N 2 2 331.460 1.176 20 0 EDADLP Cc1nc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000174706049 441956368 /nfs/dbraw/zinc/95/63/68/441956368.db2.gz ULNIDLUZNNHETL-UHFFFAOYSA-N 2 2 345.491 1.994 20 0 EDADLP COCc1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175600222 442092045 /nfs/dbraw/zinc/09/20/45/442092045.db2.gz NKQIIKBZRXIVFB-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)NC2CC2)CC1 ZINC000120360309 442056308 /nfs/dbraw/zinc/05/63/08/442056308.db2.gz RCEOHQFFDPJHOE-UHFFFAOYSA-N 2 2 330.476 1.539 20 0 EDADLP CCc1cc(=O)[nH]c(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000162048421 442059281 /nfs/dbraw/zinc/05/92/81/442059281.db2.gz GNUNYEAHVXFRSW-MRXNPFEDSA-N 2 2 333.480 1.347 20 0 EDADLP CCc1cc(=O)[nH]c(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000162048421 442059285 /nfs/dbraw/zinc/05/92/85/442059285.db2.gz GNUNYEAHVXFRSW-MRXNPFEDSA-N 2 2 333.480 1.347 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nsc(N(C)C)n1 ZINC000162193948 442073651 /nfs/dbraw/zinc/07/36/51/442073651.db2.gz BRDOVQBEIOMJJI-UHFFFAOYSA-N 2 2 326.514 1.062 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nsc(N(C)C)n1 ZINC000162193948 442073653 /nfs/dbraw/zinc/07/36/53/442073653.db2.gz BRDOVQBEIOMJJI-UHFFFAOYSA-N 2 2 326.514 1.062 20 0 EDADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]Cc2cc[nH]c2)CC1 ZINC000175711237 442109524 /nfs/dbraw/zinc/10/95/24/442109524.db2.gz NXAFWHUAIFWXBC-UHFFFAOYSA-N 2 2 348.472 1.241 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000163451090 442166513 /nfs/dbraw/zinc/16/65/13/442166513.db2.gz YATZMDZKKRCCGI-MRXNPFEDSA-N 2 2 335.448 1.585 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000163451090 442166517 /nfs/dbraw/zinc/16/65/17/442166517.db2.gz YATZMDZKKRCCGI-MRXNPFEDSA-N 2 2 335.448 1.585 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000121055240 442170674 /nfs/dbraw/zinc/17/06/74/442170674.db2.gz WYYPGVAFZIWSQV-HNNXBMFYSA-N 2 2 340.431 1.857 20 0 EDADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000121102540 442177520 /nfs/dbraw/zinc/17/75/20/442177520.db2.gz FPAXRYVQOROSQP-GOSISDBHSA-N 2 2 349.479 1.184 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 ZINC000177255369 442320971 /nfs/dbraw/zinc/32/09/71/442320971.db2.gz CZGKGKHQYYSQKR-UHFFFAOYSA-N 2 2 339.505 1.947 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cn2ccccc2n1 ZINC000171282263 442337684 /nfs/dbraw/zinc/33/76/84/442337684.db2.gz OWVCQEFNYRGUMF-UHFFFAOYSA-N 2 2 343.475 1.361 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cn2ccccc2n1 ZINC000171282263 442337686 /nfs/dbraw/zinc/33/76/86/442337686.db2.gz OWVCQEFNYRGUMF-UHFFFAOYSA-N 2 2 343.475 1.361 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCCOC1 ZINC000171637795 442365786 /nfs/dbraw/zinc/36/57/86/442365786.db2.gz RRABTARYMZTLAO-MRXNPFEDSA-N 2 2 335.448 1.282 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CCCOC1 ZINC000171637795 442365788 /nfs/dbraw/zinc/36/57/88/442365788.db2.gz RRABTARYMZTLAO-MRXNPFEDSA-N 2 2 335.448 1.282 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CN1CC[NH+](C)CC1 ZINC000132124809 442387647 /nfs/dbraw/zinc/38/76/47/442387647.db2.gz UCVRIUYKJUFQCM-UHFFFAOYSA-N 2 2 346.475 1.013 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000178078732 442406323 /nfs/dbraw/zinc/40/63/23/442406323.db2.gz QFXROIFRNUDURF-HNNXBMFYSA-N 2 2 330.436 1.671 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000133399335 442416453 /nfs/dbraw/zinc/41/64/53/442416453.db2.gz MDYYFTVIZHNRTE-GOEBONIOSA-N 2 2 348.447 1.860 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000133530492 442422270 /nfs/dbraw/zinc/42/22/70/442422270.db2.gz UPZUWDMIDAKUQH-AWEZNQCLSA-N 2 2 338.477 1.031 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000133628542 442427080 /nfs/dbraw/zinc/42/70/80/442427080.db2.gz YXTUEGHYLOQVKJ-SQNIBIBYSA-N 3 2 346.523 1.307 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000133628542 442427082 /nfs/dbraw/zinc/42/70/82/442427082.db2.gz YXTUEGHYLOQVKJ-SQNIBIBYSA-N 3 2 346.523 1.307 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000155952533 442438179 /nfs/dbraw/zinc/43/81/79/442438179.db2.gz KXGLSDURQMIEGZ-HZPDHXFCSA-N 2 2 334.464 1.309 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000155952754 442438396 /nfs/dbraw/zinc/43/83/96/442438396.db2.gz KXGLSDURQMIEGZ-JKSUJKDBSA-N 2 2 334.464 1.309 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000156168118 442452468 /nfs/dbraw/zinc/45/24/68/442452468.db2.gz UWQDLHBMUDVDLQ-INIZCTEOSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000156168118 442452471 /nfs/dbraw/zinc/45/24/71/442452471.db2.gz UWQDLHBMUDVDLQ-INIZCTEOSA-N 2 2 340.512 1.374 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2[nH+]c3ccccc3n2C)CC1 ZINC000178806658 442491070 /nfs/dbraw/zinc/49/10/70/442491070.db2.gz FMVZBLVYDUCQOQ-UHFFFAOYSA-N 2 2 329.448 1.976 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)cc[nH+]1 ZINC000156564731 442495854 /nfs/dbraw/zinc/49/58/54/442495854.db2.gz ZZIPGBAWKOBIJT-UHFFFAOYSA-N 2 2 343.479 1.816 20 0 EDADLP CCNS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178968324 442540681 /nfs/dbraw/zinc/54/06/81/442540681.db2.gz HAIOJVUIFBDVFV-JKSUJKDBSA-N 2 2 346.541 1.110 20 0 EDADLP CCNS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178968324 442540684 /nfs/dbraw/zinc/54/06/84/442540684.db2.gz HAIOJVUIFBDVFV-JKSUJKDBSA-N 2 2 346.541 1.110 20 0 EDADLP CCN(C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1)S(C)(=O)=O ZINC000180186157 442555186 /nfs/dbraw/zinc/55/51/86/442555186.db2.gz XKARZHNCXKXTGA-UHFFFAOYSA-N 2 2 336.461 1.580 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180300942 442576660 /nfs/dbraw/zinc/57/66/60/442576660.db2.gz QKFAAVCPPLSMQQ-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180300942 442576664 /nfs/dbraw/zinc/57/66/64/442576664.db2.gz QKFAAVCPPLSMQQ-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000179142695 442581166 /nfs/dbraw/zinc/58/11/66/442581166.db2.gz ZVZAQCDNFBEMHH-CYBMUJFWSA-N 2 2 332.473 1.898 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000192170212 442607545 /nfs/dbraw/zinc/60/75/45/442607545.db2.gz VOGACZQBLMPQME-HNNXBMFYSA-N 2 2 348.495 1.893 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@](C)([NH3+])c3ccccc3)CC2)CC1 ZINC000192525054 442657968 /nfs/dbraw/zinc/65/79/68/442657968.db2.gz PBXBVAMFCHAJCS-HXUWFJFHSA-N 3 2 344.503 1.535 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCS1 ZINC000179312301 442618312 /nfs/dbraw/zinc/61/83/12/442618312.db2.gz NVAQGPNKWXZGCY-INIZCTEOSA-N 2 2 342.553 1.795 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000173189263 442621070 /nfs/dbraw/zinc/62/10/70/442621070.db2.gz BCSVRIUWAIFSSO-HUUCEWRRSA-N 2 2 337.468 1.448 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188287758 442733782 /nfs/dbraw/zinc/73/37/82/442733782.db2.gz FJYPWLYUMWSOIZ-OXJNMPFZSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188287758 442733785 /nfs/dbraw/zinc/73/37/85/442733785.db2.gz FJYPWLYUMWSOIZ-OXJNMPFZSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188287758 442733787 /nfs/dbraw/zinc/73/37/87/442733787.db2.gz FJYPWLYUMWSOIZ-OXJNMPFZSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188287758 442733789 /nfs/dbraw/zinc/73/37/89/442733789.db2.gz FJYPWLYUMWSOIZ-OXJNMPFZSA-N 2 2 347.503 1.858 20 0 EDADLP O=C(CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000182219643 442746850 /nfs/dbraw/zinc/74/68/50/442746850.db2.gz CYQAZULCTMREEY-UHFFFAOYSA-N 2 2 347.434 1.639 20 0 EDADLP CCC[C@H](C(=O)OCC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182556449 442786154 /nfs/dbraw/zinc/78/61/54/442786154.db2.gz VGAXSPFWTPRFLG-UJJTZGENSA-N 2 2 337.508 1.961 20 0 EDADLP CCC[C@H](C(=O)OCC)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182556449 442786157 /nfs/dbraw/zinc/78/61/57/442786157.db2.gz VGAXSPFWTPRFLG-UJJTZGENSA-N 2 2 337.508 1.961 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569680 442787858 /nfs/dbraw/zinc/78/78/58/442787858.db2.gz WAWQQYZRVFSXJS-JWTNVVGKSA-N 2 2 334.508 1.098 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569680 442787864 /nfs/dbraw/zinc/78/78/64/442787864.db2.gz WAWQQYZRVFSXJS-JWTNVVGKSA-N 2 2 334.508 1.098 20 0 EDADLP CN(CC1CC1)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569680 442787867 /nfs/dbraw/zinc/78/78/67/442787867.db2.gz WAWQQYZRVFSXJS-JWTNVVGKSA-N 2 2 334.508 1.098 20 0 EDADLP CN(CC1CC1)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182569680 442787873 /nfs/dbraw/zinc/78/78/73/442787873.db2.gz WAWQQYZRVFSXJS-JWTNVVGKSA-N 2 2 334.508 1.098 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](CO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000267940765 442794016 /nfs/dbraw/zinc/79/40/16/442794016.db2.gz SAJSVWCCDIFPPE-GOSISDBHSA-N 2 2 331.460 1.035 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](CO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000267940765 442794021 /nfs/dbraw/zinc/79/40/21/442794021.db2.gz SAJSVWCCDIFPPE-GOSISDBHSA-N 2 2 331.460 1.035 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCCOc1cccc(F)c1 ZINC000265493114 442794458 /nfs/dbraw/zinc/79/44/58/442794458.db2.gz NUCDVESUIKLPSN-UHFFFAOYSA-N 2 2 346.406 1.923 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000182355589 442759417 /nfs/dbraw/zinc/75/94/17/442759417.db2.gz AWFLKPAQYWGSET-HUUCEWRRSA-N 2 2 334.445 1.713 20 0 EDADLP C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000193938684 442815985 /nfs/dbraw/zinc/81/59/85/442815985.db2.gz GNKLNDLXTDQTFJ-UHFFFAOYSA-N 2 2 327.388 1.021 20 0 EDADLP CCO[C@@H](C)c1noc(CN2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000182801133 442827761 /nfs/dbraw/zinc/82/77/61/442827761.db2.gz KABVLMKUBLJRFK-HNNXBMFYSA-N 2 2 348.451 1.572 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000183061307 442872705 /nfs/dbraw/zinc/87/27/05/442872705.db2.gz DIBQXCZXBVKKLW-KSSFIOAISA-N 2 2 346.475 1.663 20 0 EDADLP C[C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000248668253 442915356 /nfs/dbraw/zinc/91/53/56/442915356.db2.gz AUFFVLLVODJUEU-OVYGPGRDSA-N 2 2 325.497 1.815 20 0 EDADLP C[C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000248668253 442915359 /nfs/dbraw/zinc/91/53/59/442915359.db2.gz AUFFVLLVODJUEU-OVYGPGRDSA-N 2 2 325.497 1.815 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000189374505 442932952 /nfs/dbraw/zinc/93/29/52/442932952.db2.gz SWAMWEHQORILHQ-CVEARBPZSA-N 2 2 328.501 1.469 20 0 EDADLP CC[NH+]1CCC(NC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000265840725 442941558 /nfs/dbraw/zinc/94/15/58/442941558.db2.gz RWKVPXRMKOOHTB-UHFFFAOYSA-N 2 2 331.460 1.733 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000183611994 442945637 /nfs/dbraw/zinc/94/56/37/442945637.db2.gz BNYKKHSDPHEVBO-CQSZACIVSA-N 2 2 327.432 1.976 20 0 EDADLP C[NH+]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000265922415 442970236 /nfs/dbraw/zinc/97/02/36/442970236.db2.gz KNRSVVZZKMIPTQ-UHFFFAOYSA-N 2 2 329.404 1.741 20 0 EDADLP CC[N@H+](CCO)CCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000183942961 442976740 /nfs/dbraw/zinc/97/67/40/442976740.db2.gz FBVOWJMWOLALTB-UHFFFAOYSA-N 2 2 334.464 1.037 20 0 EDADLP CC[N@@H+](CCO)CCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000183942961 442976745 /nfs/dbraw/zinc/97/67/45/442976745.db2.gz FBVOWJMWOLALTB-UHFFFAOYSA-N 2 2 334.464 1.037 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000195084278 442981834 /nfs/dbraw/zinc/98/18/34/442981834.db2.gz LAUHCAXBRGTSLS-UHFFFAOYSA-N 2 2 326.404 1.742 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000190006800 443047233 /nfs/dbraw/zinc/04/72/33/443047233.db2.gz BCQADHZTVQAFMX-OAGGEKHMSA-N 2 2 334.526 1.394 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@H](C)C1 ZINC000190006800 443047237 /nfs/dbraw/zinc/04/72/37/443047237.db2.gz BCQADHZTVQAFMX-OAGGEKHMSA-N 2 2 334.526 1.394 20 0 EDADLP CC[C@H](C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000268748519 443096362 /nfs/dbraw/zinc/09/63/62/443096362.db2.gz SZRQTGBTGNQLDF-JKSUJKDBSA-N 2 2 333.480 1.049 20 0 EDADLP CC[C@H](C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)[NH+](C)C ZINC000268709691 443084971 /nfs/dbraw/zinc/08/49/71/443084971.db2.gz CXLHRXSOJRFCRT-GOSISDBHSA-N 2 2 348.491 1.592 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268780932 443106610 /nfs/dbraw/zinc/10/66/10/443106610.db2.gz PRDNRAQIKQCSSE-IAOVAPTHSA-N 2 2 337.489 1.872 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268780932 443106612 /nfs/dbraw/zinc/10/66/12/443106612.db2.gz PRDNRAQIKQCSSE-IAOVAPTHSA-N 2 2 337.489 1.872 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)C[NH2+]C2CC2)c2[nH+]ccn2C)c1 ZINC000237361251 443169373 /nfs/dbraw/zinc/16/93/73/443169373.db2.gz BIUBUINYGZSTIC-QGZVFWFLSA-N 2 2 344.415 1.395 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000266579841 443174218 /nfs/dbraw/zinc/17/42/18/443174218.db2.gz PTHXYPFKTHQBFL-QGZVFWFLSA-N 2 2 334.464 1.557 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1cscn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261949032 443175759 /nfs/dbraw/zinc/17/57/59/443175759.db2.gz PAUVIYROHMRZAO-CYBMUJFWSA-N 2 2 331.445 1.661 20 0 EDADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000237870856 443184543 /nfs/dbraw/zinc/18/45/43/443184543.db2.gz BVLVTXGYCYYRGU-DLBZAZTESA-N 2 2 346.475 1.832 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000266610975 443185799 /nfs/dbraw/zinc/18/57/99/443185799.db2.gz REEREQGKSNCROA-SFHVURJKSA-N 2 2 349.475 1.717 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH+](CC(C)(C)O)CC3)[nH+]c12 ZINC000261454381 443160411 /nfs/dbraw/zinc/16/04/11/443160411.db2.gz NBHPBMAMZLSOAF-UHFFFAOYSA-N 2 2 330.432 1.100 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261643738 443162317 /nfs/dbraw/zinc/16/23/17/443162317.db2.gz GNBRIISGDKPMGC-GOSISDBHSA-N 2 2 335.448 1.251 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261643738 443162319 /nfs/dbraw/zinc/16/23/19/443162319.db2.gz GNBRIISGDKPMGC-GOSISDBHSA-N 2 2 335.448 1.251 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000413820806 319292077 /nfs/dbraw/zinc/29/20/77/319292077.db2.gz UNZVWMPKZRGPSV-QGZVFWFLSA-N 2 2 346.475 1.487 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000413820806 319292078 /nfs/dbraw/zinc/29/20/78/319292078.db2.gz UNZVWMPKZRGPSV-QGZVFWFLSA-N 2 2 346.475 1.487 20 0 EDADLP CCc1ncc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000414381149 319326341 /nfs/dbraw/zinc/32/63/41/319326341.db2.gz IATMLNGNOSWMNI-SFHVURJKSA-N 2 2 347.507 1.266 20 0 EDADLP CCc1ncc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000414381149 319326343 /nfs/dbraw/zinc/32/63/43/319326343.db2.gz IATMLNGNOSWMNI-SFHVURJKSA-N 2 2 347.507 1.266 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000414776005 319343976 /nfs/dbraw/zinc/34/39/76/319343976.db2.gz BURFLPNFDFYDPD-UHFFFAOYSA-N 2 2 330.432 1.041 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1[NH3+] ZINC000415838252 319376759 /nfs/dbraw/zinc/37/67/59/319376759.db2.gz ZSUJJOONBQMUDW-MLGOLLRUSA-N 2 2 340.383 1.618 20 0 EDADLP C[C@H](NC(=O)Nc1ccc(OCC[NH3+])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000415939004 319383844 /nfs/dbraw/zinc/38/38/44/319383844.db2.gz PWKIXCFUKGBKQT-KBPBESRZSA-N 2 2 336.436 1.255 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC000416000879 319388828 /nfs/dbraw/zinc/38/88/28/319388828.db2.gz ZBUUMJFIECKCFA-GFCCVEGCSA-N 2 2 345.369 1.629 20 0 EDADLP CC(C)N(C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1)c1ccccc1 ZINC000266881011 443278344 /nfs/dbraw/zinc/27/83/44/443278344.db2.gz ABXBHWGOEDIHDI-UHFFFAOYSA-N 2 2 341.459 1.984 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000266911279 443288892 /nfs/dbraw/zinc/28/88/92/443288892.db2.gz IWUGNXPBPWUFOP-CQSZACIVSA-N 2 2 343.431 1.578 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266834776 443261681 /nfs/dbraw/zinc/26/16/81/443261681.db2.gz LTXDOQYVVONEMJ-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266834776 443261685 /nfs/dbraw/zinc/26/16/85/443261685.db2.gz LTXDOQYVVONEMJ-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416909879 319472243 /nfs/dbraw/zinc/47/22/43/319472243.db2.gz AHYKOEZEWMSSSA-HOTGVXAUSA-N 2 2 347.463 1.235 20 0 EDADLP C[NH2+]CC1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000416943166 319481098 /nfs/dbraw/zinc/48/10/98/319481098.db2.gz SSJDUFCSOOHLOW-UHFFFAOYSA-N 2 2 331.464 1.823 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000278409142 443322884 /nfs/dbraw/zinc/32/28/84/443322884.db2.gz ROKXOXDDTYWRQJ-HDMKZQKVSA-N 2 2 333.432 1.935 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264552050 443323312 /nfs/dbraw/zinc/32/33/12/443323312.db2.gz PASHCPHLEMCPSK-MRXNPFEDSA-N 2 2 325.416 1.968 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000417272981 319489137 /nfs/dbraw/zinc/48/91/37/319489137.db2.gz VZZIXNPIENOLIH-IUODEOHRSA-N 2 2 331.395 1.809 20 0 EDADLP Cc1nn(C)c2ncc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cc12 ZINC000267198806 443375679 /nfs/dbraw/zinc/37/56/79/443375679.db2.gz CSGOHNJLCMDRMN-UHFFFAOYSA-N 2 2 344.463 1.033 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC2)s1 ZINC000264702639 443381314 /nfs/dbraw/zinc/38/13/14/443381314.db2.gz ASFBCXBTVLYVDE-CYBMUJFWSA-N 2 2 339.509 1.619 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000419005030 319540167 /nfs/dbraw/zinc/54/01/67/319540167.db2.gz VNPQBBGZUURNNN-UHFFFAOYSA-N 2 2 345.447 1.095 20 0 EDADLP CCOc1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000267244835 443391543 /nfs/dbraw/zinc/39/15/43/443391543.db2.gz AXLXPKJPLHPJPD-UHFFFAOYSA-N 2 2 348.491 1.911 20 0 EDADLP Cc1nc(N2CC[NH+](CCCNC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000278493291 443346572 /nfs/dbraw/zinc/34/65/72/443346572.db2.gz LXMRUTQJIBBTKV-UHFFFAOYSA-N 2 2 335.452 1.822 20 0 EDADLP C[NH2+]CCC[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC000420366368 319610940 /nfs/dbraw/zinc/61/09/40/319610940.db2.gz UFCDEVSQEKTTDN-INIZCTEOSA-N 2 2 339.867 1.781 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000420366038 319611044 /nfs/dbraw/zinc/61/10/44/319611044.db2.gz QSTAQVHCRYTKCA-JTQLQIEISA-N 2 2 329.242 1.746 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000278754523 443426300 /nfs/dbraw/zinc/42/63/00/443426300.db2.gz NBALQIMALLSWCY-OAHLLOKOSA-N 2 2 339.447 1.799 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000278754523 443426302 /nfs/dbraw/zinc/42/63/02/443426302.db2.gz NBALQIMALLSWCY-OAHLLOKOSA-N 2 2 339.447 1.799 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000278756655 443427268 /nfs/dbraw/zinc/42/72/68/443427268.db2.gz FRIBQCYOVNSJNV-OAHLLOKOSA-N 2 2 341.459 1.588 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccnn1C ZINC000278808037 443448144 /nfs/dbraw/zinc/44/81/44/443448144.db2.gz RUFFDAAUNFAVMJ-RYQLBKOJSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccnn1C ZINC000278808037 443448148 /nfs/dbraw/zinc/44/81/48/443448148.db2.gz RUFFDAAUNFAVMJ-RYQLBKOJSA-N 2 2 328.460 1.954 20 0 EDADLP COC[C@H](CCC[NH3+])Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000422952152 319740893 /nfs/dbraw/zinc/74/08/93/319740893.db2.gz AARMSCWELNZOTR-HNNXBMFYSA-N 3 2 335.496 1.778 20 0 EDADLP COc1ccc(-n2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)n2)cc1 ZINC000422951216 319740898 /nfs/dbraw/zinc/74/08/98/319740898.db2.gz ZWPKITDRMWOSOB-RTBURBONSA-N 2 2 342.443 1.738 20 0 EDADLP CC[C@@H]([NH2+]C[C@H](C)[NH2+]C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423392080 319770374 /nfs/dbraw/zinc/77/03/74/319770374.db2.gz OAUNDYVGEXCHPT-GXFFZTMASA-N 2 2 333.885 1.897 20 0 EDADLP O=C1CCN(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000273029709 443524186 /nfs/dbraw/zinc/52/41/86/443524186.db2.gz DIBYTKKTHZRODJ-GOSISDBHSA-N 2 2 331.460 1.355 20 0 EDADLP O=C1CCN(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000273029709 443524190 /nfs/dbraw/zinc/52/41/90/443524190.db2.gz DIBYTKKTHZRODJ-GOSISDBHSA-N 2 2 331.460 1.355 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000273200898 443561374 /nfs/dbraw/zinc/56/13/74/443561374.db2.gz RLYDWGKHHCYVHO-LSDHHAIUSA-N 2 2 336.432 1.346 20 0 EDADLP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000273448895 443573413 /nfs/dbraw/zinc/57/34/13/443573413.db2.gz CHGKSWRFEHMPTQ-LJQANCHMSA-N 2 2 343.471 1.911 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C1 ZINC000273121935 443542788 /nfs/dbraw/zinc/54/27/88/443542788.db2.gz RMYHPUVXCRLXKL-QGZVFWFLSA-N 2 2 331.460 1.666 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C1 ZINC000273121935 443542790 /nfs/dbraw/zinc/54/27/90/443542790.db2.gz RMYHPUVXCRLXKL-QGZVFWFLSA-N 2 2 331.460 1.666 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000286077896 443641303 /nfs/dbraw/zinc/64/13/03/443641303.db2.gz HDFCAIITEXWUEP-MSOLQXFVSA-N 2 2 346.475 1.728 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000286077896 443641306 /nfs/dbraw/zinc/64/13/06/443641306.db2.gz HDFCAIITEXWUEP-MSOLQXFVSA-N 2 2 346.475 1.728 20 0 EDADLP Cn1ccnc(N2CCC[C@@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)c1=O ZINC000275664693 443636511 /nfs/dbraw/zinc/63/65/11/443636511.db2.gz VHJXCSYQRZJBCZ-CQSZACIVSA-N 2 2 338.415 1.187 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000430561230 319933962 /nfs/dbraw/zinc/93/39/62/319933962.db2.gz ZHXQGEZHVXJMIH-GOSISDBHSA-N 2 2 332.448 1.715 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000440262745 320066849 /nfs/dbraw/zinc/06/68/49/320066849.db2.gz CSPVJDCOKFIRRX-CQSZACIVSA-N 2 2 332.448 1.158 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000440262745 320066851 /nfs/dbraw/zinc/06/68/51/320066851.db2.gz CSPVJDCOKFIRRX-CQSZACIVSA-N 2 2 332.448 1.158 20 0 EDADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389606 320186950 /nfs/dbraw/zinc/18/69/50/320186950.db2.gz DFJGHTGLRGNXNR-HZPDHXFCSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389606 320186951 /nfs/dbraw/zinc/18/69/51/320186951.db2.gz DFJGHTGLRGNXNR-HZPDHXFCSA-N 2 2 349.475 1.849 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449442912 320190846 /nfs/dbraw/zinc/19/08/46/320190846.db2.gz NRLPPRVZYMZOSY-LLVKDONJSA-N 2 2 345.431 1.321 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC[NH+]1CCC(O)CC1 ZINC000449646600 320196630 /nfs/dbraw/zinc/19/66/30/320196630.db2.gz NXSILCYTJYBVIH-INIZCTEOSA-N 2 2 333.476 1.170 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000460372475 320352145 /nfs/dbraw/zinc/35/21/45/320352145.db2.gz BZINQCZKCUHXGG-YESZJQIVSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000460372475 320352146 /nfs/dbraw/zinc/35/21/46/320352146.db2.gz BZINQCZKCUHXGG-YESZJQIVSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000460372475 320352147 /nfs/dbraw/zinc/35/21/47/320352147.db2.gz BZINQCZKCUHXGG-YESZJQIVSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000460372475 320352148 /nfs/dbraw/zinc/35/21/48/320352148.db2.gz BZINQCZKCUHXGG-YESZJQIVSA-N 2 2 338.496 1.079 20 0 EDADLP C[NH+](C)CCOCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000471638721 320352905 /nfs/dbraw/zinc/35/29/05/320352905.db2.gz LFMBCQXGQAADOM-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000488160578 320357742 /nfs/dbraw/zinc/35/77/42/320357742.db2.gz JVTHEFYURDCPSU-GOSISDBHSA-N 2 2 346.475 1.411 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000488160578 320357743 /nfs/dbraw/zinc/35/77/43/320357743.db2.gz JVTHEFYURDCPSU-GOSISDBHSA-N 2 2 346.475 1.411 20 0 EDADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2nccn2c1 ZINC000625519083 450405505 /nfs/dbraw/zinc/40/55/05/450405505.db2.gz JACPDVFMMDPFAO-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2nccn2c1 ZINC000625519083 450405511 /nfs/dbraw/zinc/40/55/11/450405511.db2.gz JACPDVFMMDPFAO-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)C2)CC1 ZINC000625519096 450405757 /nfs/dbraw/zinc/40/57/57/450405757.db2.gz JCHACLNCFHNDIA-KCUHQSDYSA-N 2 2 339.483 1.857 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)C2)CC1 ZINC000625519096 450405761 /nfs/dbraw/zinc/40/57/61/450405761.db2.gz JCHACLNCFHNDIA-KCUHQSDYSA-N 2 2 339.483 1.857 20 0 EDADLP Cc1cc(N2CC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)C2=O)n(C)n1 ZINC000518360094 320455831 /nfs/dbraw/zinc/45/58/31/320455831.db2.gz LILYNXKZKDBAMI-HRCADAONSA-N 2 2 325.416 1.568 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000292409964 443794696 /nfs/dbraw/zinc/79/46/96/443794696.db2.gz NIQDAHSUQMUUMQ-HOTGVXAUSA-N 2 2 349.385 1.943 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000292409964 443794703 /nfs/dbraw/zinc/79/47/03/443794703.db2.gz NIQDAHSUQMUUMQ-HOTGVXAUSA-N 2 2 349.385 1.943 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000283873257 443751322 /nfs/dbraw/zinc/75/13/22/443751322.db2.gz GVBDUAZZYVPCEK-ROUUACIJSA-N 2 2 346.475 1.363 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000283873257 443751326 /nfs/dbraw/zinc/75/13/26/443751326.db2.gz GVBDUAZZYVPCEK-ROUUACIJSA-N 2 2 346.475 1.363 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000284088951 443764014 /nfs/dbraw/zinc/76/40/14/443764014.db2.gz VOYKOJFQGPVUSG-VKJFTORMSA-N 2 2 349.479 1.015 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc[nH+]1 ZINC000298431177 443767853 /nfs/dbraw/zinc/76/78/53/443767853.db2.gz XABNRYALDUTLFE-CVEARBPZSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc[nH+]1 ZINC000298431177 443767860 /nfs/dbraw/zinc/76/78/60/443767860.db2.gz XABNRYALDUTLFE-CVEARBPZSA-N 2 2 341.459 1.980 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529908984 320599988 /nfs/dbraw/zinc/59/99/88/320599988.db2.gz PKLHWLRNMAPICY-HUUCEWRRSA-N 2 2 332.448 1.237 20 0 EDADLP C[NH+](C)CC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC1 ZINC000281121088 443825559 /nfs/dbraw/zinc/82/55/59/443825559.db2.gz SDNSYWMYTCWPFQ-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP C[NH+](C)CC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC1 ZINC000281121088 443825564 /nfs/dbraw/zinc/82/55/64/443825564.db2.gz SDNSYWMYTCWPFQ-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292940787 443883680 /nfs/dbraw/zinc/88/36/80/443883680.db2.gz JVUPYIJDVXDXMI-IFXJQAMLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292940787 443883684 /nfs/dbraw/zinc/88/36/84/443883684.db2.gz JVUPYIJDVXDXMI-IFXJQAMLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292940787 443883688 /nfs/dbraw/zinc/88/36/88/443883688.db2.gz JVUPYIJDVXDXMI-IFXJQAMLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292940787 443883693 /nfs/dbraw/zinc/88/36/93/443883693.db2.gz JVUPYIJDVXDXMI-IFXJQAMLSA-N 2 2 344.459 1.530 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000532786801 320676759 /nfs/dbraw/zinc/67/67/59/320676759.db2.gz BHOMBKCPORKWOL-YJBOKZPZSA-N 2 2 345.447 1.121 20 0 EDADLP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2nnc[nH]2)c2cccnc2)C[C@H](C)O1 ZINC000285131051 443867244 /nfs/dbraw/zinc/86/72/44/443867244.db2.gz LKRVOIXNKDBGPX-UXLLHSPISA-N 2 2 344.463 1.768 20 0 EDADLP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2nnc[nH]2)c2cccnc2)C[C@H](C)O1 ZINC000285131051 443867248 /nfs/dbraw/zinc/86/72/48/443867248.db2.gz LKRVOIXNKDBGPX-UXLLHSPISA-N 2 2 344.463 1.768 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(CCc3[nH+]c4ccccc4n3C)[C@H]2C1 ZINC000293180395 443944898 /nfs/dbraw/zinc/94/48/98/443944898.db2.gz HCNLARDBUURSBJ-ZWKOTPCHSA-N 2 2 328.460 1.911 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(CCc3[nH+]c4ccccc4n3C)[C@H]2C1 ZINC000293180395 443944900 /nfs/dbraw/zinc/94/49/00/443944900.db2.gz HCNLARDBUURSBJ-ZWKOTPCHSA-N 2 2 328.460 1.911 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277232941 443945001 /nfs/dbraw/zinc/94/50/01/443945001.db2.gz OWUXRJQGPZCTGX-HNNXBMFYSA-N 2 2 348.447 1.759 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277232941 443945005 /nfs/dbraw/zinc/94/50/05/443945005.db2.gz OWUXRJQGPZCTGX-HNNXBMFYSA-N 2 2 348.447 1.759 20 0 EDADLP CCOC(=O)c1csc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000293033336 443907700 /nfs/dbraw/zinc/90/77/00/443907700.db2.gz WLCIFZCLFYPZDR-UHFFFAOYSA-N 2 2 340.493 1.389 20 0 EDADLP CCOC(=O)c1csc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000293033336 443907704 /nfs/dbraw/zinc/90/77/04/443907704.db2.gz WLCIFZCLFYPZDR-UHFFFAOYSA-N 2 2 340.493 1.389 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1(C)C ZINC000543086814 320788160 /nfs/dbraw/zinc/78/81/60/320788160.db2.gz LCEMZXRQWYJHSO-RRFJBIMHSA-N 2 2 334.464 1.704 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277491932 443994158 /nfs/dbraw/zinc/99/41/58/443994158.db2.gz QMVMYJUMPNIVIF-UHFFFAOYSA-N 2 2 347.463 1.764 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000277491932 443994163 /nfs/dbraw/zinc/99/41/63/443994163.db2.gz QMVMYJUMPNIVIF-UHFFFAOYSA-N 2 2 347.463 1.764 20 0 EDADLP Cc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)n1 ZINC000285477858 444000399 /nfs/dbraw/zinc/00/03/99/444000399.db2.gz LCVRAMBLDZMNBC-GOOCMWNKSA-N 2 2 332.448 1.269 20 0 EDADLP Cc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)n1 ZINC000285477858 444000405 /nfs/dbraw/zinc/00/04/05/444000405.db2.gz LCVRAMBLDZMNBC-GOOCMWNKSA-N 2 2 332.448 1.269 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000299542146 444074275 /nfs/dbraw/zinc/07/42/75/444074275.db2.gz VWSKNRQYLOWRLD-SCLBCKFNSA-N 2 2 348.447 1.655 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)[C@@H](C[NH3+])C1 ZINC000557203036 321000915 /nfs/dbraw/zinc/00/09/15/321000915.db2.gz RNMNUBUDRAWBMR-UAGQMJEPSA-N 2 2 334.439 1.746 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)[C@@H](C[NH3+])C1 ZINC000557203036 321000917 /nfs/dbraw/zinc/00/09/17/321000917.db2.gz RNMNUBUDRAWBMR-UAGQMJEPSA-N 2 2 334.439 1.746 20 0 EDADLP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000561006586 321031240 /nfs/dbraw/zinc/03/12/40/321031240.db2.gz UFYDWMHDHGHNID-UHFFFAOYSA-N 2 2 329.404 1.263 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000561177698 321034940 /nfs/dbraw/zinc/03/49/40/321034940.db2.gz OLSRNEMFXCEVQT-GJZGRUSLSA-N 2 2 343.406 1.762 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000563094562 321095186 /nfs/dbraw/zinc/09/51/86/321095186.db2.gz OPLDXSFTNRWCNT-HNNXBMFYSA-N 2 2 329.448 1.367 20 0 EDADLP [NH3+]CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000563095507 321095472 /nfs/dbraw/zinc/09/54/72/321095472.db2.gz XIZKGWUAIHJQSN-CYBMUJFWSA-N 2 2 326.238 1.661 20 0 EDADLP Cc1nc(CC[N@@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)no1 ZINC000299585646 444086279 /nfs/dbraw/zinc/08/62/79/444086279.db2.gz JLHIBJKVTBTRGY-OAHLLOKOSA-N 2 2 343.431 1.880 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)CCC2 ZINC000563248443 321103945 /nfs/dbraw/zinc/10/39/45/321103945.db2.gz APVIBQSNHXUSDP-HUUCEWRRSA-N 2 2 327.432 1.953 20 0 EDADLP Cc1nc(CC[N@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)no1 ZINC000299585646 444086282 /nfs/dbraw/zinc/08/62/82/444086282.db2.gz JLHIBJKVTBTRGY-OAHLLOKOSA-N 2 2 343.431 1.880 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000563283979 321105214 /nfs/dbraw/zinc/10/52/14/321105214.db2.gz PTLAKGOFIFKPMR-INIZCTEOSA-N 2 2 347.507 1.286 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000563283979 321105216 /nfs/dbraw/zinc/10/52/16/321105216.db2.gz PTLAKGOFIFKPMR-INIZCTEOSA-N 2 2 347.507 1.286 20 0 EDADLP CCc1nc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)n[nH]1 ZINC000563395083 321108370 /nfs/dbraw/zinc/10/83/70/321108370.db2.gz DYEBZUXLSVQXMI-UHFFFAOYSA-N 2 2 348.495 1.180 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000563603474 321111425 /nfs/dbraw/zinc/11/14/25/321111425.db2.gz OLYAYPPKKOSMTE-NVXWUHKLSA-N 2 2 331.464 1.612 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000564150275 321121547 /nfs/dbraw/zinc/12/15/47/321121547.db2.gz OEUWFWULIZADBQ-DZGCQCFKSA-N 2 2 326.404 1.219 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000564150275 321121549 /nfs/dbraw/zinc/12/15/49/321121549.db2.gz OEUWFWULIZADBQ-DZGCQCFKSA-N 2 2 326.404 1.219 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000565232631 321177343 /nfs/dbraw/zinc/17/73/43/321177343.db2.gz AYBPGEFZFKIBFV-DGCLKSJQSA-N 2 2 331.313 1.588 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000565232631 321177344 /nfs/dbraw/zinc/17/73/44/321177344.db2.gz AYBPGEFZFKIBFV-DGCLKSJQSA-N 2 2 331.313 1.588 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)ccn12 ZINC000565607299 321193734 /nfs/dbraw/zinc/19/37/34/321193734.db2.gz HHUVDYGQSNLNBF-HNNXBMFYSA-N 2 2 328.416 1.437 20 0 EDADLP CO[C@]1(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCOC1 ZINC000567606318 321248021 /nfs/dbraw/zinc/24/80/21/321248021.db2.gz CAYVCHCVYLQUFX-QAPCUYQASA-N 2 2 333.432 1.409 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000299615540 444095802 /nfs/dbraw/zinc/09/58/02/444095802.db2.gz HARBZUQRWRQQSX-IBGZPJMESA-N 2 2 344.503 1.529 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000299615540 444095804 /nfs/dbraw/zinc/09/58/04/444095804.db2.gz HARBZUQRWRQQSX-IBGZPJMESA-N 2 2 344.503 1.529 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000299615540 444095809 /nfs/dbraw/zinc/09/58/09/444095809.db2.gz HARBZUQRWRQQSX-IBGZPJMESA-N 2 2 344.503 1.529 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000299615540 444095813 /nfs/dbraw/zinc/09/58/13/444095813.db2.gz HARBZUQRWRQQSX-IBGZPJMESA-N 2 2 344.503 1.529 20 0 EDADLP FC(F)(F)c1cnc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc1 ZINC000567895827 321266816 /nfs/dbraw/zinc/26/68/16/321266816.db2.gz ZLGIWWVLTRRJKG-UPJWGTAASA-N 2 2 330.354 1.742 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)CC[C@@H](C)[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000567906871 321268298 /nfs/dbraw/zinc/26/82/98/321268298.db2.gz ASYTZCHGKWLVPD-HUUCEWRRSA-N 3 2 333.480 1.501 20 0 EDADLP CC(=O)Nc1ccc(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000568741502 321303940 /nfs/dbraw/zinc/30/39/40/321303940.db2.gz VYKBBAXGSGMXTK-CLCXKQKWSA-N 2 2 349.475 1.247 20 0 EDADLP CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OCC ZINC000571226682 321378526 /nfs/dbraw/zinc/37/85/26/321378526.db2.gz UDIVFCOCJCMGFW-LSDHHAIUSA-N 2 2 333.432 1.228 20 0 EDADLP CCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1OCC ZINC000571226682 321378528 /nfs/dbraw/zinc/37/85/28/321378528.db2.gz UDIVFCOCJCMGFW-LSDHHAIUSA-N 2 2 333.432 1.228 20 0 EDADLP CO[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000285812386 444115623 /nfs/dbraw/zinc/11/56/23/444115623.db2.gz UYXBZCNILNNGGM-KRWDZBQOSA-N 2 2 333.476 1.606 20 0 EDADLP CO[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000285812386 444115626 /nfs/dbraw/zinc/11/56/26/444115626.db2.gz UYXBZCNILNNGGM-KRWDZBQOSA-N 2 2 333.476 1.606 20 0 EDADLP CO[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000285812390 444115835 /nfs/dbraw/zinc/11/58/35/444115835.db2.gz UYXBZCNILNNGGM-QGZVFWFLSA-N 2 2 333.476 1.606 20 0 EDADLP CO[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000285812390 444115839 /nfs/dbraw/zinc/11/58/39/444115839.db2.gz UYXBZCNILNNGGM-QGZVFWFLSA-N 2 2 333.476 1.606 20 0 EDADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)oc1C ZINC000282297078 444141471 /nfs/dbraw/zinc/14/14/71/444141471.db2.gz SJPACQXYWZSZFT-ZBFHGGJFSA-N 2 2 335.448 1.480 20 0 EDADLP C[NH+](C)CC1(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)CCCC1 ZINC000302143933 444205755 /nfs/dbraw/zinc/20/57/55/444205755.db2.gz GNPLOGAXNUYYHS-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP C[NH+](C)CC1(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)CCCC1 ZINC000302143933 444205757 /nfs/dbraw/zinc/20/57/57/444205757.db2.gz GNPLOGAXNUYYHS-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289826244 444208667 /nfs/dbraw/zinc/20/86/67/444208667.db2.gz BAUUNNRINQTLJH-WBVHZDCISA-N 2 2 329.444 1.200 20 0 EDADLP C[C@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)C(C)(C)C[NH+](C)C ZINC000302583720 444217183 /nfs/dbraw/zinc/21/71/83/444217183.db2.gz UCCOELUGQKSRIF-ZDUSSCGKSA-N 2 2 334.468 1.143 20 0 EDADLP C[C@H](Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)C(C)(C)C[NH+](C)C ZINC000302583720 444217184 /nfs/dbraw/zinc/21/71/84/444217184.db2.gz UCCOELUGQKSRIF-ZDUSSCGKSA-N 2 2 334.468 1.143 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301517139 444176346 /nfs/dbraw/zinc/17/63/46/444176346.db2.gz DATWAWDCZXAFOG-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000301517139 444176349 /nfs/dbraw/zinc/17/63/49/444176349.db2.gz DATWAWDCZXAFOG-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP CC[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000295605426 444189938 /nfs/dbraw/zinc/18/99/38/444189938.db2.gz CTSRCBXJVOZMRM-KRWDZBQOSA-N 2 2 349.475 1.042 20 0 EDADLP CC[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000295605426 444189939 /nfs/dbraw/zinc/18/99/39/444189939.db2.gz CTSRCBXJVOZMRM-KRWDZBQOSA-N 2 2 349.475 1.042 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[C@H]1[NH3+] ZINC000576373196 321561517 /nfs/dbraw/zinc/56/15/17/321561517.db2.gz MHKFMVOEJZLIBE-GDBMZVCRSA-N 2 2 331.464 1.951 20 0 EDADLP C[C@H](O)CCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000305102351 444258164 /nfs/dbraw/zinc/25/81/64/444258164.db2.gz CGNLUWWTCWBHMJ-INIZCTEOSA-N 2 2 340.512 1.349 20 0 EDADLP C[N@H+](CCN1CCNC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000290272537 444261240 /nfs/dbraw/zinc/26/12/40/444261240.db2.gz LNRCPMDWESGWCA-UHFFFAOYSA-N 2 2 331.464 1.046 20 0 EDADLP C[N@@H+](CCN1CCNC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000290272537 444261241 /nfs/dbraw/zinc/26/12/41/444261241.db2.gz LNRCPMDWESGWCA-UHFFFAOYSA-N 2 2 331.464 1.046 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000303267740 444235862 /nfs/dbraw/zinc/23/58/62/444235862.db2.gz XMVSVNSVOKPMJK-LJQANCHMSA-N 2 2 343.471 1.890 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000303267740 444235865 /nfs/dbraw/zinc/23/58/65/444235865.db2.gz XMVSVNSVOKPMJK-LJQANCHMSA-N 2 2 343.471 1.890 20 0 EDADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000303366613 444236734 /nfs/dbraw/zinc/23/67/34/444236734.db2.gz HJDXLARRLFOYLS-ROUUACIJSA-N 2 2 333.476 1.470 20 0 EDADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000303366613 444236737 /nfs/dbraw/zinc/23/67/37/444236737.db2.gz HJDXLARRLFOYLS-ROUUACIJSA-N 2 2 333.476 1.470 20 0 EDADLP CCC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000303366613 444236740 /nfs/dbraw/zinc/23/67/40/444236740.db2.gz HJDXLARRLFOYLS-ROUUACIJSA-N 2 2 333.476 1.470 20 0 EDADLP CCC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000303366613 444236742 /nfs/dbraw/zinc/23/67/42/444236742.db2.gz HJDXLARRLFOYLS-ROUUACIJSA-N 2 2 333.476 1.470 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cn[nH]c1 ZINC000297689457 444319045 /nfs/dbraw/zinc/31/90/45/444319045.db2.gz LWASARBTWCPQPB-OAHLLOKOSA-N 2 2 330.432 1.972 20 0 EDADLP CCC1(CO)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000305762692 444278930 /nfs/dbraw/zinc/27/89/30/444278930.db2.gz YXSLQONQDGJILF-UHFFFAOYSA-N 2 2 340.512 1.207 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)NCCCNc1cccc[nH+]1 ZINC000297425655 444286190 /nfs/dbraw/zinc/28/61/90/444286190.db2.gz OSYZGRLPKPUAAU-UHFFFAOYSA-N 2 2 331.424 1.463 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)C2)CC1 ZINC000328797926 444356351 /nfs/dbraw/zinc/35/63/51/444356351.db2.gz WFPIMBPVRNTZJE-IRXDYDNUSA-N 2 2 345.491 1.606 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)CC1 ZINC000328797926 444356356 /nfs/dbraw/zinc/35/63/56/444356356.db2.gz WFPIMBPVRNTZJE-IRXDYDNUSA-N 2 2 345.491 1.606 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000578335289 321760441 /nfs/dbraw/zinc/76/04/41/321760441.db2.gz VGCOUORICQHPHE-HOCLYGCPSA-N 2 2 327.432 1.760 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CCNc2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000340267448 444374712 /nfs/dbraw/zinc/37/47/12/444374712.db2.gz IUVJNHCGAOTKFC-AEFFLSMTSA-N 2 2 325.460 2.531 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CCNc2cnccn2)CCC[N@H+]1Cc1ccccc1 ZINC000340267448 444374716 /nfs/dbraw/zinc/37/47/16/444374716.db2.gz IUVJNHCGAOTKFC-AEFFLSMTSA-N 2 2 325.460 2.531 20 0 EDADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000340597187 444455861 /nfs/dbraw/zinc/45/58/61/444455861.db2.gz YPFXFBOAQVIJEV-CYBMUJFWSA-N 2 2 333.392 1.020 20 0 EDADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000340597187 444455863 /nfs/dbraw/zinc/45/58/63/444455863.db2.gz YPFXFBOAQVIJEV-CYBMUJFWSA-N 2 2 333.392 1.020 20 0 EDADLP C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1CO ZINC000332038491 444497333 /nfs/dbraw/zinc/49/73/33/444497333.db2.gz IYWYJPMQENEHSQ-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1CO ZINC000332038491 444497336 /nfs/dbraw/zinc/49/73/36/444497336.db2.gz IYWYJPMQENEHSQ-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](CC(=O)N1CCCCCC1)C(C)C ZINC000580324801 322037608 /nfs/dbraw/zinc/03/76/08/322037608.db2.gz FZXPVYAHXRYUHV-KRWDZBQOSA-N 2 2 343.512 1.039 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CC(=O)N1CCCCCC1)C(C)C ZINC000580324801 322037610 /nfs/dbraw/zinc/03/76/10/322037610.db2.gz FZXPVYAHXRYUHV-KRWDZBQOSA-N 2 2 343.512 1.039 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000580324801 322037612 /nfs/dbraw/zinc/03/76/12/322037612.db2.gz FZXPVYAHXRYUHV-KRWDZBQOSA-N 2 2 343.512 1.039 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000580324801 322037615 /nfs/dbraw/zinc/03/76/15/322037615.db2.gz FZXPVYAHXRYUHV-KRWDZBQOSA-N 2 2 343.512 1.039 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)CC2 ZINC000580650158 322078380 /nfs/dbraw/zinc/07/83/80/322078380.db2.gz HHPAXSMNHSHCQI-BPQIPLTHSA-N 2 2 346.475 1.514 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCSc3ccc(F)cc32)[C@@H](C[NH3+])C1 ZINC000580703857 322084598 /nfs/dbraw/zinc/08/45/98/322084598.db2.gz OJRQZIDRWLPRJR-JSGCOSHPSA-N 2 2 338.452 1.647 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000580709883 322085111 /nfs/dbraw/zinc/08/51/11/322085111.db2.gz PLYKXYCRPXWABD-HIFRSBDPSA-N 2 2 344.415 1.186 20 0 EDADLP COC[C@]1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC[NH2+]1 ZINC000580708956 322085215 /nfs/dbraw/zinc/08/52/15/322085215.db2.gz VDAGWBCSZHWONC-QXAKKESOSA-N 3 2 331.460 1.601 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000580894648 322109633 /nfs/dbraw/zinc/10/96/33/322109633.db2.gz JHVWSCRNDFUWCD-SFHVURJKSA-N 3 2 343.475 1.306 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)CCN2C1=O ZINC000580964024 322118791 /nfs/dbraw/zinc/11/87/91/322118791.db2.gz XAUOPPHRBPICFG-CMPLNLGQSA-N 2 2 345.777 1.685 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)CCN2C1=O ZINC000580964024 322118793 /nfs/dbraw/zinc/11/87/93/322118793.db2.gz XAUOPPHRBPICFG-CMPLNLGQSA-N 2 2 345.777 1.685 20 0 EDADLP Cc1cccc2c1OC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000581186817 322146448 /nfs/dbraw/zinc/14/64/48/322146448.db2.gz DIEDBZYDJQQLEI-CYGHRXIMSA-N 2 2 334.460 1.358 20 0 EDADLP Cc1cccc2c1OC[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000581186817 322146449 /nfs/dbraw/zinc/14/64/49/322146449.db2.gz DIEDBZYDJQQLEI-CYGHRXIMSA-N 2 2 334.460 1.358 20 0 EDADLP C[C@H]1OCC[C@@]1(C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581377321 322170822 /nfs/dbraw/zinc/17/08/22/322170822.db2.gz KKLJCHYOYMXNPU-CRAIPNDOSA-N 2 2 332.448 1.277 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC000581493318 322184657 /nfs/dbraw/zinc/18/46/57/322184657.db2.gz NSHJNNVWMDMQAI-INIZCTEOSA-N 2 2 348.491 1.278 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)C2 ZINC000581636655 322201661 /nfs/dbraw/zinc/20/16/61/322201661.db2.gz KJTCUKIYGGQZEQ-DLBZAZTESA-N 2 2 348.491 1.617 20 0 EDADLP COCCC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCCCC1 ZINC000581715808 322212353 /nfs/dbraw/zinc/21/23/53/322212353.db2.gz ZBIOXOJZQZJYLE-OAHLLOKOSA-N 2 2 326.485 1.258 20 0 EDADLP COCCC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCCCC1 ZINC000581715808 322212355 /nfs/dbraw/zinc/21/23/55/322212355.db2.gz ZBIOXOJZQZJYLE-OAHLLOKOSA-N 2 2 326.485 1.258 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1(C)C ZINC000581910796 322231651 /nfs/dbraw/zinc/23/16/51/322231651.db2.gz RDKSOOABLVLGQS-SFHVURJKSA-N 2 2 345.487 1.737 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1(C)C ZINC000581910796 322231653 /nfs/dbraw/zinc/23/16/53/322231653.db2.gz RDKSOOABLVLGQS-SFHVURJKSA-N 2 2 345.487 1.737 20 0 EDADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000340784531 444509848 /nfs/dbraw/zinc/50/98/48/444509848.db2.gz UIHWOHXALCPHSA-CZUORRHYSA-N 2 2 326.448 2.321 20 0 EDADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000340784531 444509849 /nfs/dbraw/zinc/50/98/49/444509849.db2.gz UIHWOHXALCPHSA-CZUORRHYSA-N 2 2 326.448 2.321 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000338110514 444519482 /nfs/dbraw/zinc/51/94/82/444519482.db2.gz CYVHAFSSQPLOQV-QGZVFWFLSA-N 2 2 349.500 1.296 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000338110514 444519483 /nfs/dbraw/zinc/51/94/83/444519483.db2.gz CYVHAFSSQPLOQV-QGZVFWFLSA-N 2 2 349.500 1.296 20 0 EDADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338153858 444539573 /nfs/dbraw/zinc/53/95/73/444539573.db2.gz MFQYYMMRDLWBIU-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338153858 444539575 /nfs/dbraw/zinc/53/95/75/444539575.db2.gz MFQYYMMRDLWBIU-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1O ZINC000341013699 444632218 /nfs/dbraw/zinc/63/22/18/444632218.db2.gz PONKHIDFAXDBSO-HOTGVXAUSA-N 2 2 337.489 1.095 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1O ZINC000341013699 444632220 /nfs/dbraw/zinc/63/22/20/444632220.db2.gz PONKHIDFAXDBSO-HOTGVXAUSA-N 2 2 337.489 1.095 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332951346 444607809 /nfs/dbraw/zinc/60/78/09/444607809.db2.gz AZOQBSLTGAEQIK-HOTGVXAUSA-N 2 2 348.495 1.672 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)nc1 ZINC000338306843 444622503 /nfs/dbraw/zinc/62/25/03/444622503.db2.gz YNORPAAFGOZORN-ZBFHGGJFSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)nc1 ZINC000338306843 444622507 /nfs/dbraw/zinc/62/25/07/444622507.db2.gz YNORPAAFGOZORN-ZBFHGGJFSA-N 2 2 347.438 1.868 20 0 EDADLP Cc1cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000333576364 444682671 /nfs/dbraw/zinc/68/26/71/444682671.db2.gz ZBBQTOGVVXQVEO-OKILXGFUSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000333576364 444682674 /nfs/dbraw/zinc/68/26/74/444682674.db2.gz ZBBQTOGVVXQVEO-OKILXGFUSA-N 2 2 331.420 1.562 20 0 EDADLP CC1(C)CC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC(C)(C)[NH2+]1 ZINC000333916792 444717969 /nfs/dbraw/zinc/71/79/69/444717969.db2.gz BUPHRABCMRCIBK-GASCZTMLSA-N 2 2 338.496 1.458 20 0 EDADLP CC1(C)CC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC(C)(C)[NH2+]1 ZINC000333916792 444717971 /nfs/dbraw/zinc/71/79/71/444717971.db2.gz BUPHRABCMRCIBK-GASCZTMLSA-N 2 2 338.496 1.458 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)[nH+]c2c1 ZINC000333948297 444727112 /nfs/dbraw/zinc/72/71/12/444727112.db2.gz WEXAJBWXSGEIBH-RBSFLKMASA-N 2 2 327.432 1.830 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C[C@H]1[NH3+] ZINC000333620700 444685660 /nfs/dbraw/zinc/68/56/60/444685660.db2.gz RQAPNPMSKACHFR-HMTTWLPMSA-N 2 2 338.402 1.699 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C[C@H]1[NH3+] ZINC000333620700 444685663 /nfs/dbraw/zinc/68/56/63/444685663.db2.gz RQAPNPMSKACHFR-HMTTWLPMSA-N 2 2 338.402 1.699 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC[NH+](C4CCCC4)CC3)nc[nH+]2)C1 ZINC000334041244 444757300 /nfs/dbraw/zinc/75/73/00/444757300.db2.gz OLYZNXWCTDYPRV-HZPDHXFCSA-N 2 2 345.491 1.748 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1C ZINC000334044277 444759617 /nfs/dbraw/zinc/75/96/17/444759617.db2.gz GYLKNBSXWGSEET-WDEREUQCSA-N 2 2 338.374 1.179 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1C ZINC000334044277 444759618 /nfs/dbraw/zinc/75/96/18/444759618.db2.gz GYLKNBSXWGSEET-WDEREUQCSA-N 2 2 338.374 1.179 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1C ZINC000334044277 444759621 /nfs/dbraw/zinc/75/96/21/444759621.db2.gz GYLKNBSXWGSEET-WDEREUQCSA-N 2 2 338.374 1.179 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1C ZINC000334044277 444759622 /nfs/dbraw/zinc/75/96/22/444759622.db2.gz GYLKNBSXWGSEET-WDEREUQCSA-N 2 2 338.374 1.179 20 0 EDADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CCn2cc[nH+]c2)CC1 ZINC000344082408 444771275 /nfs/dbraw/zinc/77/12/75/444771275.db2.gz DJJSZCCEKLUFOB-CQSZACIVSA-N 2 2 328.482 1.265 20 0 EDADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CCn2cc[nH+]c2)CC1 ZINC000344082408 444771279 /nfs/dbraw/zinc/77/12/79/444771279.db2.gz DJJSZCCEKLUFOB-CQSZACIVSA-N 2 2 328.482 1.265 20 0 EDADLP CCC1(CC)[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)[C@H](C)[C@H]1OC ZINC000344108427 444785251 /nfs/dbraw/zinc/78/52/51/444785251.db2.gz RSWXOZMSXHEBMR-ZJIFWQFVSA-N 2 2 325.497 1.756 20 0 EDADLP CCC1(CC)[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)[C@H](C)[C@H]1OC ZINC000344108427 444785255 /nfs/dbraw/zinc/78/52/55/444785255.db2.gz RSWXOZMSXHEBMR-ZJIFWQFVSA-N 2 2 325.497 1.756 20 0 EDADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000336849560 444800911 /nfs/dbraw/zinc/80/09/11/444800911.db2.gz FEDMLEQNDUVOGH-CYBMUJFWSA-N 2 2 325.478 1.859 20 0 EDADLP CCc1nsc(N2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)CC2)n1 ZINC000336875966 444821679 /nfs/dbraw/zinc/82/16/79/444821679.db2.gz OFDRZAOIFREIDE-AWEZNQCLSA-N 2 2 339.509 1.068 20 0 EDADLP CCc1nsc(N2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)CC2)n1 ZINC000336875966 444821684 /nfs/dbraw/zinc/82/16/84/444821684.db2.gz OFDRZAOIFREIDE-AWEZNQCLSA-N 2 2 339.509 1.068 20 0 EDADLP CCc1nsc(N2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000336875966 444821687 /nfs/dbraw/zinc/82/16/87/444821687.db2.gz OFDRZAOIFREIDE-AWEZNQCLSA-N 2 2 339.509 1.068 20 0 EDADLP CCc1nsc(N2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000336875966 444821690 /nfs/dbraw/zinc/82/16/90/444821690.db2.gz OFDRZAOIFREIDE-AWEZNQCLSA-N 2 2 339.509 1.068 20 0 EDADLP CCn1c(C)nnc1CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000336878558 444824848 /nfs/dbraw/zinc/82/48/48/444824848.db2.gz GILNRKCGUNDUAL-UHFFFAOYSA-N 2 2 334.512 1.597 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@H]21 ZINC000342703580 444824430 /nfs/dbraw/zinc/82/44/30/444824430.db2.gz DWOSVRQMYMSSOZ-IPMKNSEASA-N 2 2 343.471 1.718 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC(=O)N1C ZINC000330178945 444875503 /nfs/dbraw/zinc/87/55/03/444875503.db2.gz FAMQQXXROLUPSF-ZSSKPJBNSA-N 2 2 345.491 1.524 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC(=O)N1C ZINC000330178945 444875507 /nfs/dbraw/zinc/87/55/07/444875507.db2.gz FAMQQXXROLUPSF-ZSSKPJBNSA-N 2 2 345.491 1.524 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC[N@@H+]1C ZINC000344293811 444884062 /nfs/dbraw/zinc/88/40/62/444884062.db2.gz PIBBEZNGSFLJBX-RDJZCZTQSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC[N@H+]1C ZINC000344293811 444884065 /nfs/dbraw/zinc/88/40/65/444884065.db2.gz PIBBEZNGSFLJBX-RDJZCZTQSA-N 2 2 331.464 1.392 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000342858035 444897754 /nfs/dbraw/zinc/89/77/54/444897754.db2.gz MSZNQYAYZOGZKL-MSOLQXFVSA-N 2 2 327.432 1.481 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000342858035 444897760 /nfs/dbraw/zinc/89/77/60/444897760.db2.gz MSZNQYAYZOGZKL-MSOLQXFVSA-N 2 2 327.432 1.481 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000344423274 444959926 /nfs/dbraw/zinc/95/99/26/444959926.db2.gz IDYOXMLHMYLEFH-HOTGVXAUSA-N 2 2 348.466 1.499 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000344423274 444959930 /nfs/dbraw/zinc/95/99/30/444959930.db2.gz IDYOXMLHMYLEFH-HOTGVXAUSA-N 2 2 348.466 1.499 20 0 EDADLP Cc1nc2[nH]ccc2c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[nH+]1 ZINC000344463770 444992512 /nfs/dbraw/zinc/99/25/12/444992512.db2.gz YXWHURIYZHBHAB-XJKSGUPXSA-N 2 2 339.447 2.495 20 0 EDADLP Cc1nc2[nH]ccc2c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[nH+]1 ZINC000344463770 444992514 /nfs/dbraw/zinc/99/25/14/444992514.db2.gz YXWHURIYZHBHAB-XJKSGUPXSA-N 2 2 339.447 2.495 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CC(C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339233138 445104121 /nfs/dbraw/zinc/10/41/21/445104121.db2.gz CAWLXMRUOZWPBM-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CC(C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339233138 445104123 /nfs/dbraw/zinc/10/41/23/445104123.db2.gz CAWLXMRUOZWPBM-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000345577881 445191696 /nfs/dbraw/zinc/19/16/96/445191696.db2.gz RTWGGDPKCSSPTL-ZWKOTPCHSA-N 2 2 331.460 1.176 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000345577881 445191698 /nfs/dbraw/zinc/19/16/98/445191698.db2.gz RTWGGDPKCSSPTL-ZWKOTPCHSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H]3CCO[C@@H]3c3ccnn3C)CC2)CCO1 ZINC000343231896 445151041 /nfs/dbraw/zinc/15/10/41/445151041.db2.gz PNQMKKOXVBFCKJ-GJYPPUQNSA-N 2 2 348.491 1.683 20 0 EDADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H]3CCO[C@@H]3c3ccnn3C)CC2)CCO1 ZINC000343231896 445151042 /nfs/dbraw/zinc/15/10/42/445151042.db2.gz PNQMKKOXVBFCKJ-GJYPPUQNSA-N 2 2 348.491 1.683 20 0 EDADLP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000343248702 445159516 /nfs/dbraw/zinc/15/95/16/445159516.db2.gz WHJNWRKEECWUMY-KURKYZTESA-N 3 2 325.497 1.234 20 0 EDADLP CCCc1csc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)n1 ZINC000343384487 445213753 /nfs/dbraw/zinc/21/37/53/445213753.db2.gz CAJVIVDIHIFZBC-MLGOLLRUSA-N 2 2 333.461 1.939 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[N@H+](C)CC(=O)N2CCCC2)CCC[NH+]1C ZINC000346888238 445227463 /nfs/dbraw/zinc/22/74/63/445227463.db2.gz PVMZHALWUUYDRW-QAPCUYQASA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[N@@H+](C)CC(=O)N2CCCC2)CCC[NH+]1C ZINC000346888238 445227465 /nfs/dbraw/zinc/22/74/65/445227465.db2.gz PVMZHALWUUYDRW-QAPCUYQASA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH+](C)CC(=O)N2CCCC2)CCC[N@@H+]1C ZINC000346888238 445227466 /nfs/dbraw/zinc/22/74/66/445227466.db2.gz PVMZHALWUUYDRW-QAPCUYQASA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH+](C)CC(=O)N2CCCC2)CCC[N@H+]1C ZINC000346888238 445227468 /nfs/dbraw/zinc/22/74/68/445227468.db2.gz PVMZHALWUUYDRW-QAPCUYQASA-N 2 2 333.480 1.357 20 0 EDADLP C[C@@H]1CN(CC[N@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CCO1 ZINC000346938828 445228451 /nfs/dbraw/zinc/22/84/51/445228451.db2.gz UGTWYKIHDQMHCG-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CCO1 ZINC000346938828 445228453 /nfs/dbraw/zinc/22/84/53/445228453.db2.gz UGTWYKIHDQMHCG-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCO1 ZINC000346938828 445228454 /nfs/dbraw/zinc/22/84/54/445228454.db2.gz UGTWYKIHDQMHCG-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCO1 ZINC000346938828 445228456 /nfs/dbraw/zinc/22/84/56/445228456.db2.gz UGTWYKIHDQMHCG-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347012247 445229585 /nfs/dbraw/zinc/22/95/85/445229585.db2.gz VSXMZHVYHQOXGB-UHFFFAOYSA-N 2 2 341.459 1.353 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347012247 445229587 /nfs/dbraw/zinc/22/95/87/445229587.db2.gz VSXMZHVYHQOXGB-UHFFFAOYSA-N 2 2 341.459 1.353 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000343484490 445231948 /nfs/dbraw/zinc/23/19/48/445231948.db2.gz VVXPVXYTZGZIEF-KBXCAEBGSA-N 2 2 331.460 1.426 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000343484490 445231950 /nfs/dbraw/zinc/23/19/50/445231950.db2.gz VVXPVXYTZGZIEF-KBXCAEBGSA-N 2 2 331.460 1.426 20 0 EDADLP C[C@H]1C[C@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)CC[N@@H+]1C ZINC000354469361 445251355 /nfs/dbraw/zinc/25/13/55/445251355.db2.gz WNTNXTQDWFGLJH-GOEBONIOSA-N 2 2 326.444 2.493 20 0 EDADLP C[C@H]1C[C@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)CC[N@H+]1C ZINC000354469361 445251358 /nfs/dbraw/zinc/25/13/58/445251358.db2.gz WNTNXTQDWFGLJH-GOEBONIOSA-N 2 2 326.444 2.493 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)Cc1ccc(F)cn1 ZINC000348112448 445273808 /nfs/dbraw/zinc/27/38/08/445273808.db2.gz FVXYOXLUJKNCAG-GOEBONIOSA-N 2 2 335.402 1.999 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)Cc1ccc(F)cn1 ZINC000348112448 445273812 /nfs/dbraw/zinc/27/38/12/445273812.db2.gz FVXYOXLUJKNCAG-GOEBONIOSA-N 2 2 335.402 1.999 20 0 EDADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000354685791 445340531 /nfs/dbraw/zinc/34/05/31/445340531.db2.gz YMAUETHMYGVNHZ-HNNXBMFYSA-N 2 2 327.388 1.069 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864910 445347504 /nfs/dbraw/zinc/34/75/04/445347504.db2.gz ZQYWWNPQZYAQHL-OBJOEFQTSA-N 2 2 348.447 1.650 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351864910 445347505 /nfs/dbraw/zinc/34/75/05/445347505.db2.gz ZQYWWNPQZYAQHL-OBJOEFQTSA-N 2 2 348.447 1.650 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000356975877 445356287 /nfs/dbraw/zinc/35/62/87/445356287.db2.gz HTQUKYVTELRYGK-HNNXBMFYSA-N 2 2 344.459 1.650 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000356975877 445356289 /nfs/dbraw/zinc/35/62/89/445356289.db2.gz HTQUKYVTELRYGK-HNNXBMFYSA-N 2 2 344.459 1.650 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]2C ZINC000359653961 445359029 /nfs/dbraw/zinc/35/90/29/445359029.db2.gz WVZPJEVOKFCCBM-HUUCEWRRSA-N 2 2 331.460 1.777 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]2C ZINC000359653961 445359033 /nfs/dbraw/zinc/35/90/33/445359033.db2.gz WVZPJEVOKFCCBM-HUUCEWRRSA-N 2 2 331.460 1.777 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCCCSc1ccccc1 ZINC000357088137 445419756 /nfs/dbraw/zinc/41/97/56/445419756.db2.gz OFIVJLHVFPMHHM-HOTGVXAUSA-N 2 2 333.501 1.826 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCCCSc1ccccc1 ZINC000357088137 445419761 /nfs/dbraw/zinc/41/97/61/445419761.db2.gz OFIVJLHVFPMHHM-HOTGVXAUSA-N 2 2 333.501 1.826 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357102879 445430220 /nfs/dbraw/zinc/43/02/20/445430220.db2.gz JDLWXEONRLLRPG-UONOGXRCSA-N 2 2 326.400 1.847 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357102879 445430223 /nfs/dbraw/zinc/43/02/23/445430223.db2.gz JDLWXEONRLLRPG-UONOGXRCSA-N 2 2 326.400 1.847 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000359728871 445396073 /nfs/dbraw/zinc/39/60/73/445396073.db2.gz LBPKXYRJZOYZSN-IBGZPJMESA-N 2 2 347.503 1.823 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000348815800 445398727 /nfs/dbraw/zinc/39/87/27/445398727.db2.gz GPFAZSKFWVPLHY-IRXDYDNUSA-N 2 2 344.503 1.185 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000348815800 445398729 /nfs/dbraw/zinc/39/87/29/445398729.db2.gz GPFAZSKFWVPLHY-IRXDYDNUSA-N 2 2 344.503 1.185 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000348983199 445465013 /nfs/dbraw/zinc/46/50/13/445465013.db2.gz YLMGMCCHWCGXEE-BRWVUGGUSA-N 2 2 341.496 1.103 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000348983199 445465017 /nfs/dbraw/zinc/46/50/17/445465017.db2.gz YLMGMCCHWCGXEE-BRWVUGGUSA-N 2 2 341.496 1.103 20 0 EDADLP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1cc(=O)n3[nH]ccc3n1)CC2)C1CC1 ZINC000362618000 445465848 /nfs/dbraw/zinc/46/58/48/445465848.db2.gz VXMXEENOGIPNQT-AWEZNQCLSA-N 2 2 341.459 1.719 20 0 EDADLP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1cc(=O)n3[nH]ccc3n1)CC2)C1CC1 ZINC000362618000 445465850 /nfs/dbraw/zinc/46/58/50/445465850.db2.gz VXMXEENOGIPNQT-AWEZNQCLSA-N 2 2 341.459 1.719 20 0 EDADLP COc1ccc(CCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000362709296 445511690 /nfs/dbraw/zinc/51/16/90/445511690.db2.gz DNERBWYQFBYDHP-KRWDZBQOSA-N 2 2 345.487 1.913 20 0 EDADLP COc1ccc(CCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000362709296 445511692 /nfs/dbraw/zinc/51/16/92/445511692.db2.gz DNERBWYQFBYDHP-KRWDZBQOSA-N 2 2 345.487 1.913 20 0 EDADLP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000362793614 445552277 /nfs/dbraw/zinc/55/22/77/445552277.db2.gz HJQHTEZSJCYQNM-CQSZACIVSA-N 2 2 328.420 1.551 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CCN1C1CC[NH+](C)CC1 ZINC000349310699 445560842 /nfs/dbraw/zinc/56/08/42/445560842.db2.gz BPJSXGFGOFZQHF-HNNXBMFYSA-N 2 2 332.496 1.143 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CCN1C1CC[NH+](C)CC1 ZINC000349310699 445560847 /nfs/dbraw/zinc/56/08/47/445560847.db2.gz BPJSXGFGOFZQHF-HNNXBMFYSA-N 2 2 332.496 1.143 20 0 EDADLP C[C@H]1CN(Cc2ccnc(N(C)C)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349310699 445560849 /nfs/dbraw/zinc/56/08/49/445560849.db2.gz BPJSXGFGOFZQHF-HNNXBMFYSA-N 2 2 332.496 1.143 20 0 EDADLP C[C@H]1CN(Cc2ccnc(N(C)C)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349310699 445560854 /nfs/dbraw/zinc/56/08/54/445560854.db2.gz BPJSXGFGOFZQHF-HNNXBMFYSA-N 2 2 332.496 1.143 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000356026522 445576873 /nfs/dbraw/zinc/57/68/73/445576873.db2.gz WQSGVJJLAJGNFO-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000356026522 445576876 /nfs/dbraw/zinc/57/68/76/445576876.db2.gz WQSGVJJLAJGNFO-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1ccccc1 ZINC000356026522 445576879 /nfs/dbraw/zinc/57/68/79/445576879.db2.gz WQSGVJJLAJGNFO-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1ccccc1 ZINC000356026522 445576881 /nfs/dbraw/zinc/57/68/81/445576881.db2.gz WQSGVJJLAJGNFO-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000362842873 445577306 /nfs/dbraw/zinc/57/73/06/445577306.db2.gz NGHUVNIWIVIDJU-XHSDSOJGSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000362842873 445577308 /nfs/dbraw/zinc/57/73/08/445577308.db2.gz NGHUVNIWIVIDJU-XHSDSOJGSA-N 2 2 326.485 1.077 20 0 EDADLP CC[C@H](C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1)[NH+](CC)CC ZINC000349663386 445639685 /nfs/dbraw/zinc/63/96/85/445639685.db2.gz QJNMANRUFIOWMX-LSDHHAIUSA-N 2 2 327.469 1.203 20 0 EDADLP CC[C@H](C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1)[NH+](CC)CC ZINC000349663386 445639689 /nfs/dbraw/zinc/63/96/89/445639689.db2.gz QJNMANRUFIOWMX-LSDHHAIUSA-N 2 2 327.469 1.203 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000349450217 445590682 /nfs/dbraw/zinc/59/06/82/445590682.db2.gz GWZMFNFWRPVBOF-MSOLQXFVSA-N 2 2 339.443 1.495 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000349450217 445590685 /nfs/dbraw/zinc/59/06/85/445590685.db2.gz GWZMFNFWRPVBOF-MSOLQXFVSA-N 2 2 339.443 1.495 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000353422348 445594686 /nfs/dbraw/zinc/59/46/86/445594686.db2.gz BIWBRISJJKLTLT-QZTJIDSGSA-N 3 2 336.524 1.295 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)n2)C1 ZINC000353540108 445647978 /nfs/dbraw/zinc/64/79/78/445647978.db2.gz YNECUJDIDLXKLY-BZPMIXESSA-N 2 2 338.477 1.690 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)n2)C1 ZINC000353540108 445647980 /nfs/dbraw/zinc/64/79/80/445647980.db2.gz YNECUJDIDLXKLY-BZPMIXESSA-N 2 2 338.477 1.690 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000360247335 445654188 /nfs/dbraw/zinc/65/41/88/445654188.db2.gz BMRFXUFHUFZBLH-PBHICJAKSA-N 2 2 339.505 1.803 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000360247335 445654193 /nfs/dbraw/zinc/65/41/93/445654193.db2.gz BMRFXUFHUFZBLH-PBHICJAKSA-N 2 2 339.505 1.803 20 0 EDADLP O[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)C[NH+]1CCCCC1 ZINC000360248226 445654823 /nfs/dbraw/zinc/65/48/23/445654823.db2.gz GQAYPLCBXWZQJV-LJQANCHMSA-N 2 2 332.492 1.482 20 0 EDADLP O[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)C[NH+]1CCCCC1 ZINC000360248226 445654827 /nfs/dbraw/zinc/65/48/27/445654827.db2.gz GQAYPLCBXWZQJV-LJQANCHMSA-N 2 2 332.492 1.482 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@H]1C ZINC000363101572 445678783 /nfs/dbraw/zinc/67/87/83/445678783.db2.gz ANJQTYQRTFVNSN-ZIFCJYIRSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@H]1C ZINC000363101572 445678788 /nfs/dbraw/zinc/67/87/88/445678788.db2.gz ANJQTYQRTFVNSN-ZIFCJYIRSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H]1C ZINC000363101572 445678793 /nfs/dbraw/zinc/67/87/93/445678793.db2.gz ANJQTYQRTFVNSN-ZIFCJYIRSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H]1C ZINC000363101572 445678797 /nfs/dbraw/zinc/67/87/97/445678797.db2.gz ANJQTYQRTFVNSN-ZIFCJYIRSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H]1C ZINC000363101571 445679085 /nfs/dbraw/zinc/67/90/85/445679085.db2.gz ANJQTYQRTFVNSN-ZHALLVOQSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H]1C ZINC000363101571 445679088 /nfs/dbraw/zinc/67/90/88/445679088.db2.gz ANJQTYQRTFVNSN-ZHALLVOQSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H]1C ZINC000363101571 445679092 /nfs/dbraw/zinc/67/90/92/445679092.db2.gz ANJQTYQRTFVNSN-ZHALLVOQSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H]1C ZINC000363101571 445679096 /nfs/dbraw/zinc/67/90/96/445679096.db2.gz ANJQTYQRTFVNSN-ZHALLVOQSA-N 2 2 345.487 1.734 20 0 EDADLP O=C(N1CCC[N@@H+](C2CCCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000360340964 445700539 /nfs/dbraw/zinc/70/05/39/445700539.db2.gz FOPHHDDEUXDCCM-UHFFFAOYSA-N 2 2 335.492 1.718 20 0 EDADLP O=C(N1CCC[N@H+](C2CCCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000360340964 445700546 /nfs/dbraw/zinc/70/05/46/445700546.db2.gz FOPHHDDEUXDCCM-UHFFFAOYSA-N 2 2 335.492 1.718 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000363338583 445771451 /nfs/dbraw/zinc/77/14/51/445771451.db2.gz IJEDHGVWSNVATH-PXNSSMCTSA-N 2 2 345.487 1.305 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C2)C1 ZINC000356311701 445729723 /nfs/dbraw/zinc/72/97/23/445729723.db2.gz KIWRVUMZPOXJPG-HKUYNNGSSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C2)C1 ZINC000356311701 445729724 /nfs/dbraw/zinc/72/97/24/445729724.db2.gz KIWRVUMZPOXJPG-HKUYNNGSSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)C1 ZINC000356311701 445729725 /nfs/dbraw/zinc/72/97/25/445729725.db2.gz KIWRVUMZPOXJPG-HKUYNNGSSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)C1 ZINC000356311701 445729726 /nfs/dbraw/zinc/72/97/26/445729726.db2.gz KIWRVUMZPOXJPG-HKUYNNGSSA-N 2 2 335.492 1.574 20 0 EDADLP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361467883 445773575 /nfs/dbraw/zinc/77/35/75/445773575.db2.gz YGWAVWZEUOVZFT-MRXNPFEDSA-N 3 2 325.497 1.726 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000356377711 445760524 /nfs/dbraw/zinc/76/05/24/445760524.db2.gz SFHDNKPZXZOAOG-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000356377711 445760531 /nfs/dbraw/zinc/76/05/31/445760531.db2.gz SFHDNKPZXZOAOG-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000356377711 445760537 /nfs/dbraw/zinc/76/05/37/445760537.db2.gz SFHDNKPZXZOAOG-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000356377711 445760544 /nfs/dbraw/zinc/76/05/44/445760544.db2.gz SFHDNKPZXZOAOG-WMZOPIPTSA-N 2 2 346.475 1.405 20 0 EDADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C[C@@H]4CCOC4)C3)CC2)nc1 ZINC000353939970 445819420 /nfs/dbraw/zinc/81/94/20/445819420.db2.gz PLXUFJOTUUPWOL-OALUTQOASA-N 2 2 344.503 1.952 20 0 EDADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C[C@@H]4CCOC4)C3)CC2)nc1 ZINC000353939970 445819422 /nfs/dbraw/zinc/81/94/22/445819422.db2.gz PLXUFJOTUUPWOL-OALUTQOASA-N 2 2 344.503 1.952 20 0 EDADLP Cc1nn(C)c(Cl)c1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363479136 445822342 /nfs/dbraw/zinc/82/23/42/445822342.db2.gz FRZINOFUIZYMGZ-HNNXBMFYSA-N 2 2 339.915 1.982 20 0 EDADLP Cc1nn(C)c(Cl)c1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363479136 445822346 /nfs/dbraw/zinc/82/23/46/445822346.db2.gz FRZINOFUIZYMGZ-HNNXBMFYSA-N 2 2 339.915 1.982 20 0 EDADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@@H](C(N)=O)c3ccccc3)CCC[N@@H+]2C)cn1 ZINC000363410197 445792761 /nfs/dbraw/zinc/79/27/61/445792761.db2.gz CLVBCXHRGLHEHL-NXHRZFHOSA-N 2 2 341.459 1.619 20 0 EDADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@@H](C(N)=O)c3ccccc3)CCC[N@H+]2C)cn1 ZINC000363410197 445792764 /nfs/dbraw/zinc/79/27/64/445792764.db2.gz CLVBCXHRGLHEHL-NXHRZFHOSA-N 2 2 341.459 1.619 20 0 EDADLP Cc1csc(=O)n1CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000363435992 445801825 /nfs/dbraw/zinc/80/18/25/445801825.db2.gz ZLCLSBGVFAGCPS-CQSZACIVSA-N 2 2 325.478 1.403 20 0 EDADLP Cc1csc(=O)n1CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000363435992 445801830 /nfs/dbraw/zinc/80/18/30/445801830.db2.gz ZLCLSBGVFAGCPS-CQSZACIVSA-N 2 2 325.478 1.403 20 0 EDADLP CCCCCNC(=O)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452909 445810204 /nfs/dbraw/zinc/81/02/04/445810204.db2.gz NSHMESGTKXYTGG-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP CCCCCNC(=O)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452909 445810209 /nfs/dbraw/zinc/81/02/09/445810209.db2.gz NSHMESGTKXYTGG-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[N@H+](CC(=O)NCc1ccco1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453217 445811575 /nfs/dbraw/zinc/81/15/75/445811575.db2.gz SQRDAUUPQZYOJP-UHFFFAOYSA-N 2 2 335.448 1.471 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccco1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453217 445811578 /nfs/dbraw/zinc/81/15/78/445811578.db2.gz SQRDAUUPQZYOJP-UHFFFAOYSA-N 2 2 335.448 1.471 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363461728 445813991 /nfs/dbraw/zinc/81/39/91/445813991.db2.gz XFRRAMNBEUHWKB-CABCVRRESA-N 2 2 333.480 1.967 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363461728 445813995 /nfs/dbraw/zinc/81/39/95/445813995.db2.gz XFRRAMNBEUHWKB-CABCVRRESA-N 2 2 333.480 1.967 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000363817608 445877428 /nfs/dbraw/zinc/87/74/28/445877428.db2.gz IMYCHLARCYPFBF-HLLBOEOZSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000363817608 445877431 /nfs/dbraw/zinc/87/74/31/445877431.db2.gz IMYCHLARCYPFBF-HLLBOEOZSA-N 2 2 338.496 1.364 20 0 EDADLP O=C1[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)CCN1CC(F)(F)F ZINC000363509936 445838488 /nfs/dbraw/zinc/83/84/88/445838488.db2.gz DWFVAUNBAJABBJ-CQSZACIVSA-N 2 2 349.397 1.194 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1c1noc([C@@H]2CCC[NH+]2C2CCOCC2)n1 ZINC000350580471 445851338 /nfs/dbraw/zinc/85/13/38/445851338.db2.gz KDVOFFPBDFHFJK-GJZGRUSLSA-N 2 2 335.452 1.304 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1c1noc([C@@H]2CCC[NH+]2C2CCOCC2)n1 ZINC000350580471 445851341 /nfs/dbraw/zinc/85/13/41/445851341.db2.gz KDVOFFPBDFHFJK-GJZGRUSLSA-N 2 2 335.452 1.304 20 0 EDADLP CN1CC[NH+](C)C[C@H]1c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000350580471 445851344 /nfs/dbraw/zinc/85/13/44/445851344.db2.gz KDVOFFPBDFHFJK-GJZGRUSLSA-N 2 2 335.452 1.304 20 0 EDADLP CN1CC[NH+](C)C[C@H]1c1noc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000350580471 445851345 /nfs/dbraw/zinc/85/13/45/445851345.db2.gz KDVOFFPBDFHFJK-GJZGRUSLSA-N 2 2 335.452 1.304 20 0 EDADLP CCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000354009889 445853251 /nfs/dbraw/zinc/85/32/51/445853251.db2.gz NWDWNPAYLMWYAP-SJLPKXTDSA-N 2 2 332.492 1.938 20 0 EDADLP CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000354009889 445853256 /nfs/dbraw/zinc/85/32/56/445853256.db2.gz NWDWNPAYLMWYAP-SJLPKXTDSA-N 2 2 332.492 1.938 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCSC3)CC2)CC1 ZINC000361763880 445925979 /nfs/dbraw/zinc/92/59/79/445925979.db2.gz JLEIADGEDRWCLL-HNNXBMFYSA-N 2 2 340.537 1.740 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000369129899 445943605 /nfs/dbraw/zinc/94/36/05/445943605.db2.gz IXFRKZDFLINBTG-FGTMMUONSA-N 2 2 335.492 1.715 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000369129899 445943611 /nfs/dbraw/zinc/94/36/11/445943611.db2.gz IXFRKZDFLINBTG-FGTMMUONSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000369129899 445943617 /nfs/dbraw/zinc/94/36/17/445943617.db2.gz IXFRKZDFLINBTG-FGTMMUONSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000369129899 445943620 /nfs/dbraw/zinc/94/36/20/445943620.db2.gz IXFRKZDFLINBTG-FGTMMUONSA-N 2 2 335.492 1.715 20 0 EDADLP CC[NH+](CC)C[C@@H](C)Nc1nc(N)c2cc(OC)c(OC)cc2[nH+]1 ZINC000350736816 445892901 /nfs/dbraw/zinc/89/29/01/445892901.db2.gz MKKSEUFMAUYONM-LLVKDONJSA-N 2 2 333.436 1.793 20 0 EDADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000359036705 445900843 /nfs/dbraw/zinc/90/08/43/445900843.db2.gz CNNDFQWOQRQTHC-KGLIPLIRSA-N 2 2 335.404 1.182 20 0 EDADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000359036705 445900848 /nfs/dbraw/zinc/90/08/48/445900848.db2.gz CNNDFQWOQRQTHC-KGLIPLIRSA-N 2 2 335.404 1.182 20 0 EDADLP CSc1ccc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000361754456 445917949 /nfs/dbraw/zinc/91/79/49/445917949.db2.gz GPJCFWGCRCZFLW-QGZVFWFLSA-N 2 2 335.517 1.857 20 0 EDADLP CSc1ccc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000361754456 445917951 /nfs/dbraw/zinc/91/79/51/445917951.db2.gz GPJCFWGCRCZFLW-QGZVFWFLSA-N 2 2 335.517 1.857 20 0 EDADLP C[C@@H](NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)[C@@H](C)[NH+]1CCOCC1 ZINC000372989428 445961737 /nfs/dbraw/zinc/96/17/37/445961737.db2.gz JYFWAHPAEQSISD-HUUCEWRRSA-N 2 2 349.479 1.470 20 0 EDADLP COc1ccc([C@@H](NC(=O)/C=C/C[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000369160991 445963300 /nfs/dbraw/zinc/96/33/00/445963300.db2.gz LSHBNTUCDBTJBQ-FUTAKVPZSA-N 2 2 328.416 1.752 20 0 EDADLP C[C@H](NC(=O)[C@@]1([NH+](C)C)CCc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000369170525 445966888 /nfs/dbraw/zinc/96/68/88/445966888.db2.gz BVWAVYQVTIKRRB-TWOQFEAHSA-N 2 2 345.487 1.615 20 0 EDADLP Cc1ccncc1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000354173065 445968885 /nfs/dbraw/zinc/96/88/85/445968885.db2.gz GIMSARCRISJOFO-UHFFFAOYSA-N 2 2 339.443 1.614 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)no1 ZINC000359163574 445992434 /nfs/dbraw/zinc/99/24/34/445992434.db2.gz NOGUMKVEHJTPFC-UHFFFAOYSA-N 2 2 334.445 1.756 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000354147083 445945528 /nfs/dbraw/zinc/94/55/28/445945528.db2.gz REAUBULRNIXWDH-CRAIPNDOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000354147083 445945533 /nfs/dbraw/zinc/94/55/33/445945533.db2.gz REAUBULRNIXWDH-CRAIPNDOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354147083 445945540 /nfs/dbraw/zinc/94/55/40/445945540.db2.gz REAUBULRNIXWDH-CRAIPNDOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000354147083 445945546 /nfs/dbraw/zinc/94/55/46/445945546.db2.gz REAUBULRNIXWDH-CRAIPNDOSA-N 2 2 349.450 1.627 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000366111725 446021196 /nfs/dbraw/zinc/02/11/96/446021196.db2.gz FWFQSPKXHSLOSE-CQSZACIVSA-N 2 2 331.464 1.826 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000366111725 446021202 /nfs/dbraw/zinc/02/12/02/446021202.db2.gz FWFQSPKXHSLOSE-CQSZACIVSA-N 2 2 331.464 1.826 20 0 EDADLP Cc1ccc([C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000369289785 446050687 /nfs/dbraw/zinc/05/06/87/446050687.db2.gz FDQIVHNYEIECJR-HXUWFJFHSA-N 2 2 338.455 1.843 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000583243114 326031665 /nfs/dbraw/zinc/03/16/65/326031665.db2.gz MSBXMRRPEJTETK-UHFFFAOYSA-N 2 2 334.464 1.331 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000583243114 326031668 /nfs/dbraw/zinc/03/16/68/326031668.db2.gz MSBXMRRPEJTETK-UHFFFAOYSA-N 2 2 334.464 1.331 20 0 EDADLP Cn1c2ccccc2cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1=O ZINC000583543670 326091584 /nfs/dbraw/zinc/09/15/84/326091584.db2.gz KFPRWWZAXAQXQF-UHFFFAOYSA-N 2 2 343.471 1.817 20 0 EDADLP Cn1c2ccccc2cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1=O ZINC000583543670 326091585 /nfs/dbraw/zinc/09/15/85/326091585.db2.gz KFPRWWZAXAQXQF-UHFFFAOYSA-N 2 2 343.471 1.817 20 0 EDADLP CN(C(=O)NC[C@H]1CCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366172635 446060296 /nfs/dbraw/zinc/06/02/96/446060296.db2.gz RMWLTGUVSOFURS-GDBMZVCRSA-N 2 2 340.537 1.549 20 0 EDADLP CN(C(=O)NC[C@H]1CCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366172635 446060302 /nfs/dbraw/zinc/06/03/02/446060302.db2.gz RMWLTGUVSOFURS-GDBMZVCRSA-N 2 2 340.537 1.549 20 0 EDADLP Cc1cc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(C)c1Cl ZINC000583933448 326168280 /nfs/dbraw/zinc/16/82/80/326168280.db2.gz WGEQEWADAAIEFB-ZDUSSCGKSA-N 2 2 325.840 1.437 20 0 EDADLP Cc1cc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(C)c1Cl ZINC000583933448 326168282 /nfs/dbraw/zinc/16/82/82/326168282.db2.gz WGEQEWADAAIEFB-ZDUSSCGKSA-N 2 2 325.840 1.437 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000584177727 326215856 /nfs/dbraw/zinc/21/58/56/326215856.db2.gz KXVZNTGJBXNVNS-INIZCTEOSA-N 2 2 329.847 1.567 20 0 EDADLP CCC[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000584286980 326235476 /nfs/dbraw/zinc/23/54/76/326235476.db2.gz QEXAVSWZYPOCOJ-CQSZACIVSA-N 2 2 328.453 1.921 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cs1 ZINC000366218797 446088229 /nfs/dbraw/zinc/08/82/29/446088229.db2.gz NAICNYZPNHEQNT-KRWDZBQOSA-N 2 2 348.516 1.828 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cs1 ZINC000366218797 446088232 /nfs/dbraw/zinc/08/82/32/446088232.db2.gz NAICNYZPNHEQNT-KRWDZBQOSA-N 2 2 348.516 1.828 20 0 EDADLP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000351474851 446074856 /nfs/dbraw/zinc/07/48/56/446074856.db2.gz HNNTXNOTOYNGOV-GPMSIDNRSA-N 3 2 339.524 1.263 20 0 EDADLP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000351474851 446074860 /nfs/dbraw/zinc/07/48/60/446074860.db2.gz HNNTXNOTOYNGOV-GPMSIDNRSA-N 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/nfs/dbraw/zinc/25/27/56/446252756.db2.gz ZLKBNSXHLJFRTP-UHFFFAOYSA-N 2 2 345.491 1.476 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCCCCC1)[NH+]1CCN(C)CC1 ZINC000359528605 446277644 /nfs/dbraw/zinc/27/76/44/446277644.db2.gz DAQWLBABIOFCEA-KRWDZBQOSA-N 2 2 338.540 1.783 20 0 EDADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc2c(c1)NC(=O)CO2 ZINC000362280952 446302448 /nfs/dbraw/zinc/30/24/48/446302448.db2.gz VKCVKRVXGRYCEW-NSHDSACASA-N 2 2 329.404 1.668 20 0 EDADLP CCOC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000373709131 446309716 /nfs/dbraw/zinc/30/97/16/446309716.db2.gz SPYAJPOVKGLHIO-NVXWUHKLSA-N 2 2 340.512 1.515 20 0 EDADLP CCOC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000373709131 446309720 /nfs/dbraw/zinc/30/97/20/446309720.db2.gz SPYAJPOVKGLHIO-NVXWUHKLSA-N 2 2 340.512 1.515 20 0 EDADLP CN(C(=O)C[C@H](O)c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362302020 446312124 /nfs/dbraw/zinc/31/21/24/446312124.db2.gz ASOXQIBSLAWGLN-OALUTQOASA-N 2 2 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UENOIBVVGPXPRN-QUCCMNQESA-N 2 2 345.487 1.874 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000376409863 446480573 /nfs/dbraw/zinc/48/05/73/446480573.db2.gz AQYZSMMJPMFIBN-HUUCEWRRSA-N 2 2 347.463 1.224 20 0 EDADLP CC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000420322923 446489836 /nfs/dbraw/zinc/48/98/36/446489836.db2.gz STLLWHAEZDZSFU-LSDHHAIUSA-N 2 2 326.462 1.247 20 0 EDADLP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000420322923 446489839 /nfs/dbraw/zinc/48/98/39/446489839.db2.gz STLLWHAEZDZSFU-LSDHHAIUSA-N 2 2 326.462 1.247 20 0 EDADLP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000367060849 446496222 /nfs/dbraw/zinc/49/62/22/446496222.db2.gz DPOJDCDEECXQPN-INIZCTEOSA-N 2 2 344.521 1.246 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C1CC([NH3+])C1 ZINC000420330646 446499555 /nfs/dbraw/zinc/49/95/55/446499555.db2.gz LKWFVUPSKXKMMI-UHFFFAOYSA-N 2 2 333.329 1.882 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C1CC([NH3+])C1 ZINC000420330646 446499558 /nfs/dbraw/zinc/49/95/58/446499558.db2.gz LKWFVUPSKXKMMI-UHFFFAOYSA-N 2 2 333.329 1.882 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000420382268 446559123 /nfs/dbraw/zinc/55/91/23/446559123.db2.gz AAKUAGZXBLXQCN-UHFFFAOYSA-N 2 2 329.391 1.788 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000420382268 446559130 /nfs/dbraw/zinc/55/91/30/446559130.db2.gz AAKUAGZXBLXQCN-UHFFFAOYSA-N 2 2 329.391 1.788 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000418371910 446518016 /nfs/dbraw/zinc/51/80/16/446518016.db2.gz YAMBSBWGAJJRDE-HOTGVXAUSA-N 2 2 326.485 1.304 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000418371910 446518022 /nfs/dbraw/zinc/51/80/22/446518022.db2.gz YAMBSBWGAJJRDE-HOTGVXAUSA-N 2 2 326.485 1.304 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000411407485 446525219 /nfs/dbraw/zinc/52/52/19/446525219.db2.gz JCXBWDIBOWLGNM-KRWDZBQOSA-N 2 2 346.519 1.996 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000411407485 446525224 /nfs/dbraw/zinc/52/52/24/446525224.db2.gz JCXBWDIBOWLGNM-KRWDZBQOSA-N 2 2 346.519 1.996 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000411407485 446525229 /nfs/dbraw/zinc/52/52/29/446525229.db2.gz JCXBWDIBOWLGNM-KRWDZBQOSA-N 2 2 346.519 1.996 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000411407485 446525235 /nfs/dbraw/zinc/52/52/35/446525235.db2.gz JCXBWDIBOWLGNM-KRWDZBQOSA-N 2 2 346.519 1.996 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350620 446527967 /nfs/dbraw/zinc/52/79/67/446527967.db2.gz HKFBTNZHWBKQLY-CABZTGNLSA-N 2 2 330.226 1.028 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350620 446527973 /nfs/dbraw/zinc/52/79/73/446527973.db2.gz HKFBTNZHWBKQLY-CABZTGNLSA-N 2 2 330.226 1.028 20 0 EDADLP CC[C@H](NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000420391503 446567129 /nfs/dbraw/zinc/56/71/29/446567129.db2.gz OIIABWMIHFNPOV-CVEARBPZSA-N 2 2 339.867 1.957 20 0 EDADLP CC[C@H](NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000420391503 446567133 /nfs/dbraw/zinc/56/71/33/446567133.db2.gz OIIABWMIHFNPOV-CVEARBPZSA-N 2 2 339.867 1.957 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N(C)CCOc1ccccc1F ZINC000420356082 446536310 /nfs/dbraw/zinc/53/63/10/446536310.db2.gz CLULLBWCCVXZSU-QWQRMKEZSA-N 2 2 337.439 1.639 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)[nH+]1 ZINC000411427370 446536562 /nfs/dbraw/zinc/53/65/62/446536562.db2.gz UDGSDFRQQGVKQG-SWLSCSKDSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)[nH+]1 ZINC000411427370 446536563 /nfs/dbraw/zinc/53/65/63/446536563.db2.gz UDGSDFRQQGVKQG-SWLSCSKDSA-N 2 2 332.448 1.744 20 0 EDADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000420358213 446537449 /nfs/dbraw/zinc/53/74/49/446537449.db2.gz TWXGECHQJIRXBC-OLZOCXBDSA-N 2 2 331.338 1.062 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000420358213 446537454 /nfs/dbraw/zinc/53/74/54/446537454.db2.gz TWXGECHQJIRXBC-OLZOCXBDSA-N 2 2 331.338 1.062 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000375042675 446537579 /nfs/dbraw/zinc/53/75/79/446537579.db2.gz UDEFZYJBTBZEEH-SJORKVTESA-N 2 2 337.508 1.868 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](N(C)Cc2nccc(N)n2)C1 ZINC000367370928 446539625 /nfs/dbraw/zinc/53/96/25/446539625.db2.gz NIRWMYICHCDQAZ-QGZVFWFLSA-N 2 2 340.475 1.901 20 0 EDADLP Cc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000367396508 446541202 /nfs/dbraw/zinc/54/12/02/446541202.db2.gz KPYLEMJUSXYBFG-INIZCTEOSA-N 2 2 331.460 1.528 20 0 EDADLP Cc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000367396508 446541210 /nfs/dbraw/zinc/54/12/10/446541210.db2.gz KPYLEMJUSXYBFG-INIZCTEOSA-N 2 2 331.460 1.528 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000423447838 446542413 /nfs/dbraw/zinc/54/24/13/446542413.db2.gz ULTYTEFONVUMRD-MLGOLLRUSA-N 2 2 339.386 1.145 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000420364723 446543890 /nfs/dbraw/zinc/54/38/90/446543890.db2.gz KOCYOLBBPDEJHX-JTDSTZFVSA-N 3 2 345.491 1.096 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000420364723 446543895 /nfs/dbraw/zinc/54/38/95/446543895.db2.gz KOCYOLBBPDEJHX-JTDSTZFVSA-N 2 2 345.491 1.096 20 0 EDADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420378364 446554665 /nfs/dbraw/zinc/55/46/65/446554665.db2.gz MBSCFJAMOJNLRH-MRVWCRGKSA-N 2 2 338.477 1.688 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000420381291 446557274 /nfs/dbraw/zinc/55/72/74/446557274.db2.gz OPSJNNPSCXHXTP-ZIAGYGMSSA-N 2 2 333.432 1.703 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000420381291 446557277 /nfs/dbraw/zinc/55/72/77/446557277.db2.gz OPSJNNPSCXHXTP-ZIAGYGMSSA-N 2 2 333.432 1.703 20 0 EDADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420398064 446571550 /nfs/dbraw/zinc/57/15/50/446571550.db2.gz YIIVCVCCQHQYTA-VQIMIIECSA-N 2 2 345.487 1.863 20 0 EDADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420398064 446571560 /nfs/dbraw/zinc/57/15/60/446571560.db2.gz YIIVCVCCQHQYTA-VQIMIIECSA-N 2 2 345.487 1.863 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420402721 446576535 /nfs/dbraw/zinc/57/65/35/446576535.db2.gz KJQLNADFZLTOLI-ZIAGYGMSSA-N 2 2 333.432 1.719 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420402721 446576543 /nfs/dbraw/zinc/57/65/43/446576543.db2.gz KJQLNADFZLTOLI-ZIAGYGMSSA-N 2 2 333.432 1.719 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000368019604 446618758 /nfs/dbraw/zinc/61/87/58/446618758.db2.gz MZBDEXUMWHPKNT-KRWDZBQOSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000368019604 446618767 /nfs/dbraw/zinc/61/87/67/446618767.db2.gz MZBDEXUMWHPKNT-KRWDZBQOSA-N 2 2 331.460 1.941 20 0 EDADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420410264 446583408 /nfs/dbraw/zinc/58/34/08/446583408.db2.gz ZWCHFMLDSSSQIE-JTQLQIEISA-N 2 2 329.803 1.592 20 0 EDADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4C[NH2+]CCO4)[C@@H]3C2)cc1 ZINC000423575883 446583570 /nfs/dbraw/zinc/58/35/70/446583570.db2.gz QNIWHGOKPWBAHU-HAGHYFMRSA-N 3 2 329.488 1.865 20 0 EDADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4C[NH2+]CCO4)[C@@H]3C2)cc1 ZINC000423575883 446583575 /nfs/dbraw/zinc/58/35/75/446583575.db2.gz QNIWHGOKPWBAHU-HAGHYFMRSA-N 3 2 329.488 1.865 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411529449 446586676 /nfs/dbraw/zinc/58/66/76/446586676.db2.gz ILICPSJQSSSGTQ-HNNXBMFYSA-N 2 2 332.448 1.936 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411529449 446586683 /nfs/dbraw/zinc/58/66/83/446586683.db2.gz ILICPSJQSSSGTQ-HNNXBMFYSA-N 2 2 332.448 1.936 20 0 EDADLP C[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000376580259 446589779 /nfs/dbraw/zinc/58/97/79/446589779.db2.gz JPZKHCBAYJMQBZ-SFHVURJKSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000376580259 446589785 /nfs/dbraw/zinc/58/97/85/446589785.db2.gz JPZKHCBAYJMQBZ-SFHVURJKSA-N 2 2 331.460 1.440 20 0 EDADLP COC[C@@]1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000423747795 446676253 /nfs/dbraw/zinc/67/62/53/446676253.db2.gz SUKXFNNEJJMJRV-HNAYVOBHSA-N 2 2 349.450 1.657 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N1CC[NH+](C2CCOCC2)CC1 ZINC000375207978 446642788 /nfs/dbraw/zinc/64/27/88/446642788.db2.gz RMKZHYZDEOXHQQ-UHFFFAOYSA-N 2 2 347.463 1.226 20 0 EDADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000423707704 446652367 /nfs/dbraw/zinc/65/23/67/446652367.db2.gz FATGQBKEHNOSMD-CYBMUJFWSA-N 2 2 331.794 1.967 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000418731962 446658096 /nfs/dbraw/zinc/65/80/96/446658096.db2.gz JJPUGKQJBJOMQK-LBPRGKRZSA-N 2 2 327.379 1.204 20 0 EDADLP CC(C)(C)CC[NH+]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418735985 446660125 /nfs/dbraw/zinc/66/01/25/446660125.db2.gz UGEIPNCIXFMCIO-AWEZNQCLSA-N 2 2 346.466 1.995 20 0 EDADLP CCC[C@]1(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000376706137 446664626 /nfs/dbraw/zinc/66/46/26/446664626.db2.gz IFLBQQLQLXLWMP-QAPCUYQASA-N 2 2 338.496 1.413 20 0 EDADLP CCC[C@]1(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000376706137 446664631 /nfs/dbraw/zinc/66/46/31/446664631.db2.gz IFLBQQLQLXLWMP-QAPCUYQASA-N 2 2 338.496 1.413 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000418749887 446669872 /nfs/dbraw/zinc/66/98/72/446669872.db2.gz CNVPBNMMRJVYPY-AWEZNQCLSA-N 2 2 344.450 1.891 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000368155580 446673818 /nfs/dbraw/zinc/67/38/18/446673818.db2.gz PBDNBYLZNGNQNJ-DOTOQJQBSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000368155580 446673825 /nfs/dbraw/zinc/67/38/25/446673825.db2.gz PBDNBYLZNGNQNJ-DOTOQJQBSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000368155580 446673830 /nfs/dbraw/zinc/67/38/30/446673830.db2.gz PBDNBYLZNGNQNJ-DOTOQJQBSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000368155580 446673835 /nfs/dbraw/zinc/67/38/35/446673835.db2.gz PBDNBYLZNGNQNJ-DOTOQJQBSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1CC[C@@]2(CC[N@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000368076713 446625517 /nfs/dbraw/zinc/62/55/17/446625517.db2.gz RBEXSOHRIQCDHA-VQIMIIECSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1CC[C@@]2(CC[N@@H+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000368076713 446625521 /nfs/dbraw/zinc/62/55/21/446625521.db2.gz RBEXSOHRIQCDHA-VQIMIIECSA-N 2 2 337.508 1.726 20 0 EDADLP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)C(=O)OCC ZINC000411639990 446631291 /nfs/dbraw/zinc/63/12/91/446631291.db2.gz BIXQKIVAEMDCCS-AWEZNQCLSA-N 2 2 339.480 1.393 20 0 EDADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)C(=O)OCC ZINC000411639990 446631297 /nfs/dbraw/zinc/63/12/97/446631297.db2.gz BIXQKIVAEMDCCS-AWEZNQCLSA-N 2 2 339.480 1.393 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000371111634 446634460 /nfs/dbraw/zinc/63/44/60/446634460.db2.gz XAGAWWRMDCQXSC-GOEBONIOSA-N 2 2 331.395 1.804 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000371111634 446634466 /nfs/dbraw/zinc/63/44/66/446634466.db2.gz XAGAWWRMDCQXSC-GOEBONIOSA-N 2 2 331.395 1.804 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418772171 446690968 /nfs/dbraw/zinc/69/09/68/446690968.db2.gz UNGUTZILJUZTPJ-GFCCVEGCSA-N 2 2 327.379 1.358 20 0 EDADLP CC1(C)CCC[N@H+](CCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000418775949 446694766 /nfs/dbraw/zinc/69/47/66/446694766.db2.gz WRXUPZWXOQPEDS-ZDUSSCGKSA-N 2 2 332.439 1.652 20 0 EDADLP CC1(C)CCC[N@@H+](CCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000418775949 446694769 /nfs/dbraw/zinc/69/47/69/446694769.db2.gz WRXUPZWXOQPEDS-ZDUSSCGKSA-N 2 2 332.439 1.652 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418778703 446697125 /nfs/dbraw/zinc/69/71/25/446697125.db2.gz AQNZLFRSIJNSDS-QGZVFWFLSA-N 2 2 349.479 1.463 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000368196894 446702514 /nfs/dbraw/zinc/70/25/14/446702514.db2.gz YROALPCDPWDZSB-KRWDZBQOSA-N 2 2 341.459 1.926 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C)nc(COC)n3)CC2)CC1 ZINC000420622089 446708187 /nfs/dbraw/zinc/70/81/87/446708187.db2.gz FFCNIEWKCKQLAD-UHFFFAOYSA-N 2 2 347.507 1.928 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C)nc(COC)n3)CC2)CC1 ZINC000420622089 446708191 /nfs/dbraw/zinc/70/81/91/446708191.db2.gz FFCNIEWKCKQLAD-UHFFFAOYSA-N 2 2 347.507 1.928 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423822038 446712388 /nfs/dbraw/zinc/71/23/88/446712388.db2.gz IGPKGJMGIMARJR-BQDHKBFISA-N 2 2 337.851 1.578 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423822038 446712392 /nfs/dbraw/zinc/71/23/92/446712392.db2.gz IGPKGJMGIMARJR-BQDHKBFISA-N 2 2 337.851 1.578 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000368226407 446721679 /nfs/dbraw/zinc/72/16/79/446721679.db2.gz ZOZLDTCRLVBJOT-RBUKOAKNSA-N 2 2 345.487 1.394 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000368226407 446721684 /nfs/dbraw/zinc/72/16/84/446721684.db2.gz ZOZLDTCRLVBJOT-RBUKOAKNSA-N 2 2 345.487 1.394 20 0 EDADLP CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000375265574 446680599 /nfs/dbraw/zinc/68/05/99/446680599.db2.gz HUPBRTBCOJYBCN-ROUUACIJSA-N 2 2 335.492 1.794 20 0 EDADLP COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000368265565 446748119 /nfs/dbraw/zinc/74/81/19/446748119.db2.gz WLRDZUXXHKOTIL-QGZVFWFLSA-N 2 2 331.460 1.915 20 0 EDADLP COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000368265565 446748124 /nfs/dbraw/zinc/74/81/24/446748124.db2.gz WLRDZUXXHKOTIL-QGZVFWFLSA-N 2 2 331.460 1.915 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCc1cccs1 ZINC000371300122 446755827 /nfs/dbraw/zinc/75/58/27/446755827.db2.gz MZFMBYYJMNFGAO-KBMXLJTQSA-N 2 2 337.489 1.548 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCc1cccs1 ZINC000371300122 446755831 /nfs/dbraw/zinc/75/58/31/446755831.db2.gz MZFMBYYJMNFGAO-KBMXLJTQSA-N 2 2 337.489 1.548 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000423907223 446756981 /nfs/dbraw/zinc/75/69/81/446756981.db2.gz ARLIELROIGIKDL-ZQIUZPCESA-N 2 2 340.443 1.838 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000423907223 446756987 /nfs/dbraw/zinc/75/69/87/446756987.db2.gz ARLIELROIGIKDL-ZQIUZPCESA-N 2 2 340.443 1.838 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000423909386 446759237 /nfs/dbraw/zinc/75/92/37/446759237.db2.gz DFDOEIYSEDFHGM-YQQAZPJKSA-N 2 2 345.422 1.149 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3cnn(C)c3)C2)CC1 ZINC000368288079 446761667 /nfs/dbraw/zinc/76/16/67/446761667.db2.gz KWCIZYQSQHIWFK-MRXNPFEDSA-N 2 2 349.479 1.006 20 0 EDADLP CCc1nc(CN2CCC[C@H]([NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)no1 ZINC000371315537 446769071 /nfs/dbraw/zinc/76/90/71/446769071.db2.gz SYDCLVXSPKMPPI-KKUMJFAQSA-N 2 2 333.480 1.811 20 0 EDADLP CCc1nc(CN2CCC[C@H]([NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)no1 ZINC000371315537 446769077 /nfs/dbraw/zinc/76/90/77/446769077.db2.gz SYDCLVXSPKMPPI-KKUMJFAQSA-N 2 2 333.480 1.811 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423927049 446776976 /nfs/dbraw/zinc/77/69/76/446776976.db2.gz FOLBVZGWQWUUCJ-XWSJACJDSA-N 2 2 345.487 1.905 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423927049 446776980 /nfs/dbraw/zinc/77/69/80/446776980.db2.gz FOLBVZGWQWUUCJ-XWSJACJDSA-N 2 2 345.487 1.905 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c2n1CCCC2 ZINC000376885199 446777371 /nfs/dbraw/zinc/77/73/71/446777371.db2.gz CSQCHVLKFCBACX-KGLIPLIRSA-N 2 2 349.479 1.124 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c2n1CCCC2 ZINC000376885199 446777376 /nfs/dbraw/zinc/77/73/76/446777376.db2.gz CSQCHVLKFCBACX-KGLIPLIRSA-N 2 2 349.479 1.124 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c2n1CCCC2 ZINC000376885200 446778185 /nfs/dbraw/zinc/77/81/85/446778185.db2.gz CSQCHVLKFCBACX-UONOGXRCSA-N 2 2 349.479 1.124 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c2n1CCCC2 ZINC000376885200 446778192 /nfs/dbraw/zinc/77/81/92/446778192.db2.gz CSQCHVLKFCBACX-UONOGXRCSA-N 2 2 349.479 1.124 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)C2 ZINC000376896567 446784605 /nfs/dbraw/zinc/78/46/05/446784605.db2.gz GWYPXZYGYRCYIO-KBPBESRZSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)CC2 ZINC000376896567 446784612 /nfs/dbraw/zinc/78/46/12/446784612.db2.gz GWYPXZYGYRCYIO-KBPBESRZSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)[N@H+]1CCc2nc(CN3CC[NH+](C[C@H](C)O)CC3)sc2C1 ZINC000376897476 446784937 /nfs/dbraw/zinc/78/49/37/446784937.db2.gz KWQSMMDHNVKONL-AWEZNQCLSA-N 2 2 338.521 1.408 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+](C[C@H](C)O)CC3)sc2C1 ZINC000376897476 446784941 /nfs/dbraw/zinc/78/49/41/446784941.db2.gz KWQSMMDHNVKONL-AWEZNQCLSA-N 2 2 338.521 1.408 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C ZINC000371346407 446794014 /nfs/dbraw/zinc/79/40/14/446794014.db2.gz WUYRNGCTSOFGAY-UHFFFAOYSA-N 2 2 348.539 1.929 20 0 EDADLP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)[NH+](C)C ZINC000454224789 446813766 /nfs/dbraw/zinc/81/37/66/446813766.db2.gz QGHXAYISKHADOM-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP CC1(C[NH+]2CCOCC2)CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000371376022 446815254 /nfs/dbraw/zinc/81/52/54/446815254.db2.gz WWSUDZIDUVWTBS-QGZVFWFLSA-N 2 2 349.450 1.786 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000371377804 446817093 /nfs/dbraw/zinc/81/70/93/446817093.db2.gz FJGSJWXCANIWGO-SFHVURJKSA-N 2 2 343.475 1.401 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C1 ZINC000371377804 446817100 /nfs/dbraw/zinc/81/71/00/446817100.db2.gz FJGSJWXCANIWGO-SFHVURJKSA-N 2 2 343.475 1.401 20 0 EDADLP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000376959162 446822713 /nfs/dbraw/zinc/82/27/13/446822713.db2.gz WQZBZDRHCNWLSU-INIZCTEOSA-N 2 2 342.443 1.742 20 0 EDADLP C[C@H](C(=O)NCC1(C)C[NH+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000368409961 446844588 /nfs/dbraw/zinc/84/45/88/446844588.db2.gz IQPUZBLAGKVPHI-QGZVFWFLSA-N 2 2 344.503 1.261 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)C1 ZINC000423972650 446802598 /nfs/dbraw/zinc/80/25/98/446802598.db2.gz PQJAXDMYEGMYBV-CYBMUJFWSA-N 2 2 338.477 1.658 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)C1 ZINC000423972650 446802604 /nfs/dbraw/zinc/80/26/04/446802604.db2.gz PQJAXDMYEGMYBV-CYBMUJFWSA-N 2 2 338.477 1.658 20 0 EDADLP C[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[NH+]1CCOCC1 ZINC000424126380 446858788 /nfs/dbraw/zinc/85/87/88/446858788.db2.gz BLOIOVHUCKKGLE-RDJZCZTQSA-N 2 2 325.497 1.901 20 0 EDADLP C[C@H]1CC2(C[N@@H+]1Cc1csc(CS(C)(=O)=O)n1)CC[NH2+]CC2 ZINC000424294470 446867577 /nfs/dbraw/zinc/86/75/77/446867577.db2.gz QMTUCFXBDRBGKP-LBPRGKRZSA-N 2 2 343.518 1.652 20 0 EDADLP C[C@H]1CC2(C[N@H+]1Cc1csc(CS(C)(=O)=O)n1)CC[NH2+]CC2 ZINC000424294470 446867580 /nfs/dbraw/zinc/86/75/80/446867580.db2.gz QMTUCFXBDRBGKP-LBPRGKRZSA-N 2 2 343.518 1.652 20 0 EDADLP Cn1ncc2c1nc(NC1CC[NH+](Cc3ccsc3)CC1)[nH+]c2N ZINC000375520041 446867875 /nfs/dbraw/zinc/86/78/75/446867875.db2.gz MAPQNUUESSCEIH-UHFFFAOYSA-N 2 2 343.460 2.084 20 0 EDADLP NC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420910034 446884242 /nfs/dbraw/zinc/88/42/42/446884242.db2.gz DGSVKCGOLUFKNV-SFHVURJKSA-N 2 2 331.460 1.606 20 0 EDADLP NC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420910034 446884246 /nfs/dbraw/zinc/88/42/46/446884246.db2.gz DGSVKCGOLUFKNV-SFHVURJKSA-N 2 2 331.460 1.606 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)C[C@H](CO)C3)c2cc1C ZINC000420953851 446926553 /nfs/dbraw/zinc/92/65/53/446926553.db2.gz YWVXRLDOSMEQQM-RRQGHBQHSA-N 2 2 331.460 1.964 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)C[C@H](CO)C3)c2cc1C ZINC000420953851 446926557 /nfs/dbraw/zinc/92/65/57/446926557.db2.gz YWVXRLDOSMEQQM-RRQGHBQHSA-N 2 2 331.460 1.964 20 0 EDADLP O=C(N1CCC[N@H+](CC2CCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000412318422 446933326 /nfs/dbraw/zinc/93/33/26/446933326.db2.gz ZEBHHRQMTRPHAS-UHFFFAOYSA-N 2 2 335.492 1.576 20 0 EDADLP O=C(N1CCC[N@@H+](CC2CCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000412318422 446933335 /nfs/dbraw/zinc/93/33/35/446933335.db2.gz ZEBHHRQMTRPHAS-UHFFFAOYSA-N 2 2 335.492 1.576 20 0 EDADLP CS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420967299 446936429 /nfs/dbraw/zinc/93/64/29/446936429.db2.gz TXZIGLOJBSIRAD-KRWDZBQOSA-N 2 2 338.473 1.138 20 0 EDADLP CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420967299 446936439 /nfs/dbraw/zinc/93/64/39/446936439.db2.gz TXZIGLOJBSIRAD-KRWDZBQOSA-N 2 2 338.473 1.138 20 0 EDADLP CC(C)(CNC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000377124646 446938115 /nfs/dbraw/zinc/93/81/15/446938115.db2.gz GESHHVGYXKZQKV-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP CN1CCO[C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@H]21 ZINC000420968175 446939152 /nfs/dbraw/zinc/93/91/52/446939152.db2.gz VOUJSBFALQIWRX-UXHICEINSA-N 2 2 345.487 1.424 20 0 EDADLP CN1CCO[C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@H]21 ZINC000420968175 446939161 /nfs/dbraw/zinc/93/91/61/446939161.db2.gz VOUJSBFALQIWRX-UXHICEINSA-N 2 2 345.487 1.424 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1O ZINC000368599548 446971237 /nfs/dbraw/zinc/97/12/37/446971237.db2.gz AYLSSQJGNSLFAN-HNNXBMFYSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1O ZINC000368599548 446971244 /nfs/dbraw/zinc/97/12/44/446971244.db2.gz AYLSSQJGNSLFAN-HNNXBMFYSA-N 2 2 331.460 1.941 20 0 EDADLP C[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368618176 446984122 /nfs/dbraw/zinc/98/41/22/446984122.db2.gz JNVQLSYYAZDWSC-BZUAXINKSA-N 2 2 338.496 1.127 20 0 EDADLP C[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368618176 446984127 /nfs/dbraw/zinc/98/41/27/446984127.db2.gz JNVQLSYYAZDWSC-BZUAXINKSA-N 2 2 338.496 1.127 20 0 EDADLP CC[C@]1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000442885043 446989273 /nfs/dbraw/zinc/98/92/73/446989273.db2.gz VCZTZNXKIIHCLO-HXUWFJFHSA-N 2 2 345.487 1.832 20 0 EDADLP CC[C@]1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000442885043 446989279 /nfs/dbraw/zinc/98/92/79/446989279.db2.gz VCZTZNXKIIHCLO-HXUWFJFHSA-N 2 2 345.487 1.832 20 0 EDADLP CO[C@@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000377211258 446995684 /nfs/dbraw/zinc/99/56/84/446995684.db2.gz YGJGFIIHXLLNOL-IBGZPJMESA-N 2 2 349.475 1.815 20 0 EDADLP CO[C@@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000377211258 446995691 /nfs/dbraw/zinc/99/56/91/446995691.db2.gz YGJGFIIHXLLNOL-IBGZPJMESA-N 2 2 349.475 1.815 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N1CC[NH+](C2CCCC2)CC1 ZINC000377274749 447034349 /nfs/dbraw/zinc/03/43/49/447034349.db2.gz BSDJPSAVTSVNCY-UHFFFAOYSA-N 2 2 331.464 1.989 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000368700967 447051161 /nfs/dbraw/zinc/05/11/61/447051161.db2.gz CWHYEHAGIXYRLT-UHFFFAOYSA-N 2 2 349.479 1.136 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000368700967 447051174 /nfs/dbraw/zinc/05/11/74/447051174.db2.gz CWHYEHAGIXYRLT-UHFFFAOYSA-N 2 2 349.479 1.136 20 0 EDADLP O=C(OC[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1)N1CCOCC1 ZINC000375800455 447062143 /nfs/dbraw/zinc/06/21/43/447062143.db2.gz AQYKABNDDCIIKE-INIZCTEOSA-N 2 2 336.436 1.597 20 0 EDADLP O=C(OC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1)N1CCOCC1 ZINC000375800455 447062146 /nfs/dbraw/zinc/06/21/46/447062146.db2.gz AQYKABNDDCIIKE-INIZCTEOSA-N 2 2 336.436 1.597 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443798617 447064475 /nfs/dbraw/zinc/06/44/75/447064475.db2.gz AZFUUTJHZWGCJM-KRWDZBQOSA-N 2 2 342.443 1.590 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC1(C[NH+](C)C)CCC1)C1CCOCC1 ZINC000377326172 447066571 /nfs/dbraw/zinc/06/65/71/447066571.db2.gz BAVIPFVUSRKRAD-OAHLLOKOSA-N 2 2 349.479 1.671 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413143649 447031658 /nfs/dbraw/zinc/03/16/58/447031658.db2.gz PGBJMEHLVVEQRN-WBVHZDCISA-N 2 2 341.459 2.346 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413143649 447031666 /nfs/dbraw/zinc/03/16/66/447031666.db2.gz PGBJMEHLVVEQRN-WBVHZDCISA-N 2 2 341.459 2.346 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCCCCC[NH+]3CCCC3)C[C@@H]21 ZINC000455035457 447032139 /nfs/dbraw/zinc/03/21/39/447032139.db2.gz OSHFZQCKBASCDE-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)NCCCCC[NH+]3CCCC3)C[C@@H]21 ZINC000455035457 447032145 /nfs/dbraw/zinc/03/21/45/447032145.db2.gz OSHFZQCKBASCDE-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000377393508 447107959 /nfs/dbraw/zinc/10/79/59/447107959.db2.gz SKMVMYAPUCTASH-PKOBYXMFSA-N 2 2 332.444 1.652 20 0 EDADLP C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3c[nH+]c(N(C)C)n3C)CC2)C1 ZINC000425331156 447118725 /nfs/dbraw/zinc/11/87/25/447118725.db2.gz WZOXTJRYWXSYGZ-HNNXBMFYSA-N 2 2 347.507 1.957 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372538238 447120446 /nfs/dbraw/zinc/12/04/46/447120446.db2.gz PGXFEPOLUUOYTA-JKSUJKDBSA-N 2 2 340.431 1.693 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000372538238 447120451 /nfs/dbraw/zinc/12/04/51/447120451.db2.gz PGXFEPOLUUOYTA-JKSUJKDBSA-N 2 2 340.431 1.693 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(Cc3c[nH+]c(N(C)C)n3C)CC2)cn1 ZINC000425338440 447121332 /nfs/dbraw/zinc/12/13/32/447121332.db2.gz PPRGUBQPSULMQG-UHFFFAOYSA-N 2 2 345.495 1.410 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(Cc3c[nH+]c(N(C)C)n3C)CC2)cn1 ZINC000425338440 447121338 /nfs/dbraw/zinc/12/13/38/447121338.db2.gz PPRGUBQPSULMQG-UHFFFAOYSA-N 2 2 345.495 1.410 20 0 EDADLP Cc1cccn2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cnn(C)c3)c[nH+]c12 ZINC000368745480 447081113 /nfs/dbraw/zinc/08/11/13/447081113.db2.gz FEQLWQVMSVGWNI-WBVHZDCISA-N 2 2 338.415 1.486 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1cccc(F)c1 ZINC000444168887 447085062 /nfs/dbraw/zinc/08/50/62/447085062.db2.gz OTKAWKGYFMYSRT-HDMKZQKVSA-N 2 2 328.391 1.764 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413318905 447139435 /nfs/dbraw/zinc/13/94/35/447139435.db2.gz CAEPNTOPRORVMX-UHFFFAOYSA-N 2 2 337.468 1.382 20 0 EDADLP C[C@@H](CNc1ncnc2c1C[N@H+](C)CC2)[NH+]1CCc2sccc2C1 ZINC000368838198 447148427 /nfs/dbraw/zinc/14/84/27/447148427.db2.gz JTYBSAGIYCWIKK-ZDUSSCGKSA-N 2 2 343.500 2.385 20 0 EDADLP C[C@@H](CNc1ncnc2c1C[N@@H+](C)CC2)[NH+]1CCc2sccc2C1 ZINC000368838198 447148431 /nfs/dbraw/zinc/14/84/31/447148431.db2.gz JTYBSAGIYCWIKK-ZDUSSCGKSA-N 2 2 343.500 2.385 20 0 EDADLP C[C@@H](CNc1ncnc2c1C[NH+](C)CC2)[N@@H+]1CCc2sccc2C1 ZINC000368838198 447148434 /nfs/dbraw/zinc/14/84/34/447148434.db2.gz JTYBSAGIYCWIKK-ZDUSSCGKSA-N 2 2 343.500 2.385 20 0 EDADLP C[C@@H](CNc1ncnc2c1C[NH+](C)CC2)[N@H+]1CCc2sccc2C1 ZINC000368838198 447148437 /nfs/dbraw/zinc/14/84/37/447148437.db2.gz JTYBSAGIYCWIKK-ZDUSSCGKSA-N 2 2 343.500 2.385 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3cccc(O)c3)C2)CC1 ZINC000372574555 447155465 /nfs/dbraw/zinc/15/54/65/447155465.db2.gz YAWABNLUVKYMNG-JFDDCEBESA-N 2 2 329.444 1.690 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3cccc(O)c3)C2)CC1 ZINC000372574555 447155474 /nfs/dbraw/zinc/15/54/74/447155474.db2.gz YAWABNLUVKYMNG-JFDDCEBESA-N 2 2 329.444 1.690 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1C ZINC000425363534 447128079 /nfs/dbraw/zinc/12/80/79/447128079.db2.gz WOLUHKNYGOTJJA-SFHVURJKSA-N 3 2 343.475 1.343 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)n1C ZINC000425363534 447128084 /nfs/dbraw/zinc/12/80/84/447128084.db2.gz WOLUHKNYGOTJJA-SFHVURJKSA-N 3 2 343.475 1.343 20 0 EDADLP COC(=O)c1cn([C@H]2CC[N@H+](CCCc3c[nH+]ccc3C)C2)nn1 ZINC000377622174 447250557 /nfs/dbraw/zinc/25/05/57/447250557.db2.gz IJCKXRFIQSSEQH-HNNXBMFYSA-N 2 2 329.404 1.648 20 0 EDADLP COC(=O)c1cn([C@H]2CC[N@@H+](CCCc3c[nH+]ccc3C)C2)nn1 ZINC000377622174 447250564 /nfs/dbraw/zinc/25/05/64/447250564.db2.gz IJCKXRFIQSSEQH-HNNXBMFYSA-N 2 2 329.404 1.648 20 0 EDADLP COCCCn1nccc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377624982 447251939 /nfs/dbraw/zinc/25/19/39/447251939.db2.gz KCGIVDGCLIDTFH-SFHVURJKSA-N 2 2 349.523 1.520 20 0 EDADLP COCCCn1nccc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377624982 447251942 /nfs/dbraw/zinc/25/19/42/447251942.db2.gz KCGIVDGCLIDTFH-SFHVURJKSA-N 2 2 349.523 1.520 20 0 EDADLP COCCCn1nccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624982 447251944 /nfs/dbraw/zinc/25/19/44/447251944.db2.gz KCGIVDGCLIDTFH-SFHVURJKSA-N 2 2 349.523 1.520 20 0 EDADLP COCCCn1nccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624982 447251947 /nfs/dbraw/zinc/25/19/47/447251947.db2.gz KCGIVDGCLIDTFH-SFHVURJKSA-N 2 2 349.523 1.520 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000377626536 447255026 /nfs/dbraw/zinc/25/50/26/447255026.db2.gz OBNIBWPOWHUBAI-GUYCJALGSA-N 2 2 348.472 1.995 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000377626536 447255029 /nfs/dbraw/zinc/25/50/29/447255029.db2.gz OBNIBWPOWHUBAI-GUYCJALGSA-N 2 2 348.472 1.995 20 0 EDADLP C[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000446071621 447229627 /nfs/dbraw/zinc/22/96/27/447229627.db2.gz NDDQWBCFZMXZAA-MULDDASSSA-N 2 2 328.497 1.998 20 0 EDADLP C[C@@H]1C[N@@H+](CCOCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000446071621 447229628 /nfs/dbraw/zinc/22/96/28/447229628.db2.gz NDDQWBCFZMXZAA-MULDDASSSA-N 2 2 328.497 1.998 20 0 EDADLP C[C@@H]1C[N@H+](CCOCC[NH+]2C[C@H](C)O[C@H](C)[C@@H]2C)[C@@H](C)[C@H](C)O1 ZINC000446071621 447229632 /nfs/dbraw/zinc/22/96/32/447229632.db2.gz NDDQWBCFZMXZAA-MULDDASSSA-N 2 2 328.497 1.998 20 0 EDADLP COCCOCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368965252 447230619 /nfs/dbraw/zinc/23/06/19/447230619.db2.gz JXKJRDMQWSZHQP-CJNGLKHVSA-N 2 2 327.494 1.915 20 0 EDADLP COCCOCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368965252 447230624 /nfs/dbraw/zinc/23/06/24/447230624.db2.gz JXKJRDMQWSZHQP-CJNGLKHVSA-N 2 2 327.494 1.915 20 0 EDADLP COc1csc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000372710744 447237668 /nfs/dbraw/zinc/23/76/68/447237668.db2.gz ALWZZXRTVAWNOO-CQSZACIVSA-N 2 2 337.489 1.997 20 0 EDADLP COc1csc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000372710744 447237671 /nfs/dbraw/zinc/23/76/71/447237671.db2.gz ALWZZXRTVAWNOO-CQSZACIVSA-N 2 2 337.489 1.997 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000368981502 447245847 /nfs/dbraw/zinc/24/58/47/447245847.db2.gz UWESNONGFWOLMO-UHFFFAOYSA-N 2 2 345.422 1.977 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000368981502 447245854 /nfs/dbraw/zinc/24/58/54/447245854.db2.gz UWESNONGFWOLMO-UHFFFAOYSA-N 2 2 345.422 1.977 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)[nH]1 ZINC000377679686 447290934 /nfs/dbraw/zinc/29/09/34/447290934.db2.gz UTLCCCCYBSTJTC-INIZCTEOSA-N 2 2 334.464 1.403 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)[nH]1 ZINC000377679686 447290939 /nfs/dbraw/zinc/29/09/39/447290939.db2.gz UTLCCCCYBSTJTC-INIZCTEOSA-N 2 2 334.464 1.403 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000377643393 447267611 /nfs/dbraw/zinc/26/76/11/447267611.db2.gz CZGJFFSFIABZMM-CYBMUJFWSA-N 2 2 347.488 1.665 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000377643393 447267616 /nfs/dbraw/zinc/26/76/16/447267616.db2.gz CZGJFFSFIABZMM-CYBMUJFWSA-N 2 2 347.488 1.665 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C(=O)OC)cs2)C1 ZINC000450457052 447496213 /nfs/dbraw/zinc/49/62/13/447496213.db2.gz USDBBLHRRRVJTO-CYBMUJFWSA-N 2 2 341.477 1.862 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C(=O)OC)cs2)C1 ZINC000450457052 447496216 /nfs/dbraw/zinc/49/62/16/447496216.db2.gz USDBBLHRRRVJTO-CYBMUJFWSA-N 2 2 341.477 1.862 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)n2)nn1 ZINC000450503492 447509939 /nfs/dbraw/zinc/50/99/39/447509939.db2.gz RUDAKBIIJJPBDW-TZMCWYRMSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)n2)nn1 ZINC000450503492 447509942 /nfs/dbraw/zinc/50/99/42/447509942.db2.gz RUDAKBIIJJPBDW-TZMCWYRMSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)n2)nn1 ZINC000450503492 447509946 /nfs/dbraw/zinc/50/99/46/447509946.db2.gz RUDAKBIIJJPBDW-TZMCWYRMSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)n2)nn1 ZINC000450503492 447509951 /nfs/dbraw/zinc/50/99/51/447509951.db2.gz RUDAKBIIJJPBDW-TZMCWYRMSA-N 2 2 344.419 1.451 20 0 EDADLP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC000426881069 447511239 /nfs/dbraw/zinc/51/12/39/447511239.db2.gz CEOLVWBWSMCPSF-HNNXBMFYSA-N 2 2 332.404 1.213 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419961665 447516637 /nfs/dbraw/zinc/51/66/37/447516637.db2.gz SUUDTPOPTTXVPG-HUUCEWRRSA-N 2 2 349.479 1.446 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c[nH+]2)CC1 ZINC000495732833 447565403 /nfs/dbraw/zinc/56/54/03/447565403.db2.gz DBPHAABPUYSDRO-HUUCEWRRSA-N 2 2 347.463 1.865 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c[nH+]2)CC1 ZINC000495732833 447565407 /nfs/dbraw/zinc/56/54/07/447565407.db2.gz DBPHAABPUYSDRO-HUUCEWRRSA-N 2 2 347.463 1.865 20 0 EDADLP CC(C)(CC[NH3+])NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000422590190 447658465 /nfs/dbraw/zinc/65/84/65/447658465.db2.gz ABCPFMCHBOETCO-QGZVFWFLSA-N 2 2 348.491 1.357 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NC(C)(C)CC[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000422594091 447661007 /nfs/dbraw/zinc/66/10/07/447661007.db2.gz REILXTARVBDZAO-KBPBESRZSA-N 2 2 349.479 1.622 20 0 EDADLP CC[NH2+]CC1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000420217357 447674337 /nfs/dbraw/zinc/67/43/37/447674337.db2.gz UUCDWCWQXNNAOG-MRXNPFEDSA-N 2 2 333.480 1.654 20 0 EDADLP CC[NH2+]CC1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000420217357 447674341 /nfs/dbraw/zinc/67/43/41/447674341.db2.gz UUCDWCWQXNNAOG-MRXNPFEDSA-N 2 2 333.480 1.654 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1C[NH3+] ZINC000422638305 447683845 /nfs/dbraw/zinc/68/38/45/447683845.db2.gz QBVCPCPXDFGAEU-MCIONIFRSA-N 2 2 330.432 1.277 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C[C@@H]1C[NH3+] ZINC000422638305 447683848 /nfs/dbraw/zinc/68/38/48/447683848.db2.gz QBVCPCPXDFGAEU-MCIONIFRSA-N 2 2 330.432 1.277 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C(C)C)C2COC2)CC1 ZINC000451120765 447690642 /nfs/dbraw/zinc/69/06/42/447690642.db2.gz NMEDAELEBNGUFC-UHFFFAOYSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C(C)C)C2COC2)CC1 ZINC000451120765 447690647 /nfs/dbraw/zinc/69/06/47/447690647.db2.gz NMEDAELEBNGUFC-UHFFFAOYSA-N 2 2 345.487 1.748 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422833871 447763686 /nfs/dbraw/zinc/76/36/86/447763686.db2.gz HBZCGLZQFFMLGI-SFHVURJKSA-N 2 2 329.444 1.772 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422833871 447763688 /nfs/dbraw/zinc/76/36/88/447763688.db2.gz HBZCGLZQFFMLGI-SFHVURJKSA-N 2 2 329.444 1.772 20 0 EDADLP C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000459622471 447724407 /nfs/dbraw/zinc/72/44/07/447724407.db2.gz YHCHOKDKOFHEMB-CRAIPNDOSA-N 2 2 325.497 1.772 20 0 EDADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)N2CCOCC2)cc1 ZINC000422716659 447726482 /nfs/dbraw/zinc/72/64/82/447726482.db2.gz UVHCXAKMXYNFLL-SXLOBPIMSA-N 2 2 347.503 1.725 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000422727156 447731204 /nfs/dbraw/zinc/73/12/04/447731204.db2.gz GYFYIRFUFLTSNX-GVDBMIGSSA-N 2 2 335.448 1.181 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417223070 447737685 /nfs/dbraw/zinc/73/76/85/447737685.db2.gz QEXMPGMECFZEIY-VIFPVBQESA-N 2 2 340.225 1.633 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]C2)N2CCOCC2)cc1OC ZINC000422773471 447747711 /nfs/dbraw/zinc/74/77/11/447747711.db2.gz UCDOTWNOIPBWHT-HOTGVXAUSA-N 2 2 335.448 1.029 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000422821478 447759462 /nfs/dbraw/zinc/75/94/62/447759462.db2.gz WMNGXUGVNIHHLM-WMZOPIPTSA-N 3 2 328.460 1.831 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422821478 447759468 /nfs/dbraw/zinc/75/94/68/447759468.db2.gz WMNGXUGVNIHHLM-WMZOPIPTSA-N 2 2 328.460 1.831 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422914449 447771490 /nfs/dbraw/zinc/77/14/90/447771490.db2.gz UGQLCYOQTDTZHG-MAUKXSAKSA-N 3 2 332.492 1.598 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422943105 447777728 /nfs/dbraw/zinc/77/77/28/447777728.db2.gz KCRVIJSJQFWIDQ-MJGOQNOKSA-N 2 2 331.460 1.392 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1OC ZINC000430561669 447779533 /nfs/dbraw/zinc/77/95/33/447779533.db2.gz NNXKNBXCTNUIEO-YJYMSZOUSA-N 2 2 349.475 1.906 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCCOc1cccc(Cl)c1)C1CC1 ZINC000430592689 447781884 /nfs/dbraw/zinc/78/18/84/447781884.db2.gz CPWKSKKUMILNSC-INIZCTEOSA-N 2 2 325.840 1.552 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430592958 447782254 /nfs/dbraw/zinc/78/22/54/447782254.db2.gz RJXPMNSZGCKQQN-KRWDZBQOSA-N 2 2 339.867 1.894 20 0 EDADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422998503 447789449 /nfs/dbraw/zinc/78/94/49/447789449.db2.gz CZDKWBCQWDSDQC-BZUAXINKSA-N 2 2 340.489 1.596 20 0 EDADLP CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000452030308 447805104 /nfs/dbraw/zinc/80/51/04/447805104.db2.gz GWEVUHGBUQVWSF-HZPDHXFCSA-N 2 2 341.496 1.151 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1[nH+]cnc2[nH]ccc21 ZINC000522759311 447857391 /nfs/dbraw/zinc/85/73/91/447857391.db2.gz VWTVMXVGOUJQIE-AWEZNQCLSA-N 2 2 337.431 1.976 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000569676371 447863035 /nfs/dbraw/zinc/86/30/35/447863035.db2.gz BBRFIOXUEQCOQZ-ZDUSSCGKSA-N 2 2 338.883 1.902 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000569676371 447863040 /nfs/dbraw/zinc/86/30/40/447863040.db2.gz BBRFIOXUEQCOQZ-ZDUSSCGKSA-N 2 2 338.883 1.902 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000569706117 447872799 /nfs/dbraw/zinc/87/27/99/447872799.db2.gz JCSHBTPOMWHXLD-JKSUJKDBSA-N 2 2 332.448 1.462 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000569706117 447872804 /nfs/dbraw/zinc/87/28/04/447872804.db2.gz JCSHBTPOMWHXLD-JKSUJKDBSA-N 2 2 332.448 1.462 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)CC[NH2+]C3CC3)CC2)c1 ZINC000569708551 447873902 /nfs/dbraw/zinc/87/39/02/447873902.db2.gz SQHINNQHXZTUDS-UHFFFAOYSA-N 2 2 347.459 1.360 20 0 EDADLP Cc1nc(N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000489941496 447880571 /nfs/dbraw/zinc/88/05/71/447880571.db2.gz BVDHKKHZEKWKSR-UMVBOHGHSA-N 2 2 334.468 1.324 20 0 EDADLP C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000530519445 447905028 /nfs/dbraw/zinc/90/50/28/447905028.db2.gz XRCCXZRSVWBVLL-RHSMWYFYSA-N 2 2 349.500 1.629 20 0 EDADLP C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000530519445 447905031 /nfs/dbraw/zinc/90/50/31/447905031.db2.gz XRCCXZRSVWBVLL-RHSMWYFYSA-N 2 2 349.500 1.629 20 0 EDADLP O=C(C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000575914172 447926579 /nfs/dbraw/zinc/92/65/79/447926579.db2.gz LWMHNUFBYXIAIH-RDTXWAMCSA-N 2 2 345.447 1.065 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000569957130 447927338 /nfs/dbraw/zinc/92/73/38/447927338.db2.gz MFXLYVQWZGLAMO-BFYDXBDKSA-N 2 2 334.464 1.163 20 0 EDADLP C[C@H]1CCC[C@@H](OCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000530893732 447979501 /nfs/dbraw/zinc/97/95/01/447979501.db2.gz OXZLABXVYPZUEN-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Cn3cc[nH+]c3)c2)CCO1 ZINC000570374842 447995410 /nfs/dbraw/zinc/99/54/10/447995410.db2.gz CURNVYQZIVYTAR-OAHLLOKOSA-N 2 2 328.416 1.420 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Cn3cc[nH+]c3)c2)CCO1 ZINC000570374842 447995414 /nfs/dbraw/zinc/99/54/14/447995414.db2.gz CURNVYQZIVYTAR-OAHLLOKOSA-N 2 2 328.416 1.420 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c2[nH+]ccn21 ZINC000570415312 448008695 /nfs/dbraw/zinc/00/86/95/448008695.db2.gz JFIIVSGNZNVHLQ-HUUCEWRRSA-N 2 2 349.479 1.889 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000570425172 448012189 /nfs/dbraw/zinc/01/21/89/448012189.db2.gz WAKSSXQBONGSQP-LJQANCHMSA-N 2 2 344.503 1.600 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000570425172 448012195 /nfs/dbraw/zinc/01/21/95/448012195.db2.gz WAKSSXQBONGSQP-LJQANCHMSA-N 2 2 344.503 1.600 20 0 EDADLP C[NH+]1CCC(CNC(=O)C2(C(=O)C3CC3)CC2)([NH+]2CCCCC2)CC1 ZINC000576463961 448062127 /nfs/dbraw/zinc/06/21/27/448062127.db2.gz FXRVWKALWNQESE-UHFFFAOYSA-N 2 2 347.503 1.812 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000496931593 448048411 /nfs/dbraw/zinc/04/84/11/448048411.db2.gz STIQPFUGAMLWLJ-NRXISQOPSA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000496931593 448048416 /nfs/dbraw/zinc/04/84/16/448048416.db2.gz STIQPFUGAMLWLJ-NRXISQOPSA-N 2 2 327.469 1.479 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000555823951 448092947 /nfs/dbraw/zinc/09/29/47/448092947.db2.gz VVFLSEOVNXKNOW-CQSZACIVSA-N 2 2 326.404 1.409 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000555823951 448092954 /nfs/dbraw/zinc/09/29/54/448092954.db2.gz VVFLSEOVNXKNOW-CQSZACIVSA-N 2 2 326.404 1.409 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000496997529 448108585 /nfs/dbraw/zinc/10/85/85/448108585.db2.gz WFGQPVFALGKEEM-JKSUJKDBSA-N 2 2 343.512 1.926 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000496997529 448108587 /nfs/dbraw/zinc/10/85/87/448108587.db2.gz WFGQPVFALGKEEM-JKSUJKDBSA-N 2 2 343.512 1.926 20 0 EDADLP C[NH+](C)C/C=C\C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000491843781 448137510 /nfs/dbraw/zinc/13/75/10/448137510.db2.gz GZXVDADYEMLYAM-KKMIYCERSA-N 2 2 331.460 1.164 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000527077492 448152739 /nfs/dbraw/zinc/15/27/39/448152739.db2.gz QDLNNXFDXIPAKY-UHFFFAOYSA-N 2 2 348.447 1.608 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527077492 448152741 /nfs/dbraw/zinc/15/27/41/448152741.db2.gz QDLNNXFDXIPAKY-UHFFFAOYSA-N 2 2 348.447 1.608 20 0 EDADLP C[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000514720926 448192089 /nfs/dbraw/zinc/19/20/89/448192089.db2.gz NXZUYRUPPGBSNM-PKOBYXMFSA-N 2 2 346.475 1.268 20 0 EDADLP C[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000514720926 448192092 /nfs/dbraw/zinc/19/20/92/448192092.db2.gz NXZUYRUPPGBSNM-PKOBYXMFSA-N 2 2 346.475 1.268 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000514736029 448196734 /nfs/dbraw/zinc/19/67/34/448196734.db2.gz IVIOXGUFAFAUBS-UAGQMJEPSA-N 2 2 325.416 1.773 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)N(C)c1ccccc1 ZINC000514788848 448204115 /nfs/dbraw/zinc/20/41/15/448204115.db2.gz OEHURHBCMDITFP-YWTNHNAXSA-N 2 2 335.492 1.571 20 0 EDADLP CCN1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1c1[nH]cc[nH+]1 ZINC000527318411 448209661 /nfs/dbraw/zinc/20/96/61/448209661.db2.gz CWDRHFIUFVVUPJ-INIZCTEOSA-N 2 2 341.419 1.677 20 0 EDADLP CCN1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1c1[nH]cc[nH+]1 ZINC000527318411 448209667 /nfs/dbraw/zinc/20/96/67/448209667.db2.gz CWDRHFIUFVVUPJ-INIZCTEOSA-N 2 2 341.419 1.677 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)n1C ZINC000556875613 448169268 /nfs/dbraw/zinc/16/92/68/448169268.db2.gz KHMQAWVYGQZTJS-OAHLLOKOSA-N 2 2 333.480 1.757 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000582415669 448230675 /nfs/dbraw/zinc/23/06/75/448230675.db2.gz FVJAUVGGZVNOSE-VNHYZAJKSA-N 2 2 328.403 1.567 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000582415669 448230678 /nfs/dbraw/zinc/23/06/78/448230678.db2.gz FVJAUVGGZVNOSE-VNHYZAJKSA-N 2 2 328.403 1.567 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000515004117 448240100 /nfs/dbraw/zinc/24/01/00/448240100.db2.gz ZPNQWCDCZZUESH-HOCLYGCPSA-N 2 2 331.464 1.869 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000577117169 448214290 /nfs/dbraw/zinc/21/42/90/448214290.db2.gz PRDCEUBEJVKLTJ-GOSISDBHSA-N 2 2 331.460 1.882 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083037 448256366 /nfs/dbraw/zinc/25/63/66/448256366.db2.gz ZBGDUTSOZHMJTO-CABCVRRESA-N 2 2 330.436 1.898 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083037 448256369 /nfs/dbraw/zinc/25/63/69/448256369.db2.gz ZBGDUTSOZHMJTO-CABCVRRESA-N 2 2 330.436 1.898 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000532792911 448316585 /nfs/dbraw/zinc/31/65/85/448316585.db2.gz BDWCLUZBKNXFQR-GDBMZVCRSA-N 2 2 331.464 1.947 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000532792911 448316587 /nfs/dbraw/zinc/31/65/87/448316587.db2.gz BDWCLUZBKNXFQR-GDBMZVCRSA-N 2 2 331.464 1.947 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000572240377 448322917 /nfs/dbraw/zinc/32/29/17/448322917.db2.gz FDBPRZSLDKDIMF-GJZGRUSLSA-N 2 2 339.480 1.013 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000572240377 448322927 /nfs/dbraw/zinc/32/29/27/448322927.db2.gz FDBPRZSLDKDIMF-GJZGRUSLSA-N 2 2 339.480 1.013 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1(C)C ZINC000582603216 448286826 /nfs/dbraw/zinc/28/68/26/448286826.db2.gz QFZZCUVWKHXVKY-WBMJQRKESA-N 2 2 338.477 1.602 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1(C)C ZINC000582603216 448286831 /nfs/dbraw/zinc/28/68/31/448286831.db2.gz QFZZCUVWKHXVKY-WBMJQRKESA-N 2 2 338.477 1.602 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000572110001 448287362 /nfs/dbraw/zinc/28/73/62/448287362.db2.gz YHCLRODVFTWHON-HKUYNNGSSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000572110001 448287370 /nfs/dbraw/zinc/28/73/70/448287370.db2.gz YHCLRODVFTWHON-HKUYNNGSSA-N 2 2 348.487 1.920 20 0 EDADLP CCOc1ccc(N2C(=O)C[C@H]([NH2+]C[C@H]3CCC[N@H+](C)C3)C2=O)cc1 ZINC000577622399 448343896 /nfs/dbraw/zinc/34/38/96/448343896.db2.gz UWARZYFWVJHTIP-PBHICJAKSA-N 2 2 345.443 1.649 20 0 EDADLP CCOc1ccc(N2C(=O)C[C@H]([NH2+]C[C@H]3CCC[N@@H+](C)C3)C2=O)cc1 ZINC000577622399 448343899 /nfs/dbraw/zinc/34/38/99/448343899.db2.gz UWARZYFWVJHTIP-PBHICJAKSA-N 2 2 345.443 1.649 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000527718776 448345028 /nfs/dbraw/zinc/34/50/28/448345028.db2.gz UHPNCPDJWSAYKL-GOSISDBHSA-N 2 2 342.443 1.690 20 0 EDADLP Nc1nc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)nc2ccccc12 ZINC000564989310 448350098 /nfs/dbraw/zinc/35/00/98/448350098.db2.gz XDXORNMEPTUAHN-ZDUSSCGKSA-N 2 2 327.432 1.399 20 0 EDADLP Nc1nc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)nc2ccccc12 ZINC000564989310 448350104 /nfs/dbraw/zinc/35/01/04/448350104.db2.gz XDXORNMEPTUAHN-ZDUSSCGKSA-N 2 2 327.432 1.399 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000527824180 448369455 /nfs/dbraw/zinc/36/94/55/448369455.db2.gz XAYYQOHICNRNGB-QGZVFWFLSA-N 2 2 328.416 1.381 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000516025743 448370254 /nfs/dbraw/zinc/37/02/54/448370254.db2.gz ITIPBERQFCTBQT-CABCVRRESA-N 2 2 347.463 1.310 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)o1 ZINC000591344448 448333538 /nfs/dbraw/zinc/33/35/38/448333538.db2.gz IEPSWOUBDXWVOT-LSDHHAIUSA-N 2 2 337.464 1.960 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000515615078 448333763 /nfs/dbraw/zinc/33/37/63/448333763.db2.gz LQUUTJSXQBRCBK-MRXNPFEDSA-N 2 2 332.448 1.782 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000582774208 448334595 /nfs/dbraw/zinc/33/45/95/448334595.db2.gz ADXFYZMKDJFVAE-ZWKOTPCHSA-N 2 2 349.438 1.932 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CO[C@H](C)C3)CC2)CC1 ZINC000566159368 448399314 /nfs/dbraw/zinc/39/93/14/448399314.db2.gz ZDXQLZXWGLDNPD-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CO[C@H](C)C3)CC2)CC1 ZINC000566159368 448399317 /nfs/dbraw/zinc/39/93/17/448399317.db2.gz ZDXQLZXWGLDNPD-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)Nc2ccncc2)CC1 ZINC000577921289 448415764 /nfs/dbraw/zinc/41/57/64/448415764.db2.gz ZTAYSLFBSOADLZ-UHFFFAOYSA-N 2 2 326.400 1.689 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000582901102 448373203 /nfs/dbraw/zinc/37/32/03/448373203.db2.gz NAFGNNIHAZFEEW-POAQFYNOSA-N 2 2 348.487 1.653 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000582901102 448373210 /nfs/dbraw/zinc/37/32/10/448373210.db2.gz NAFGNNIHAZFEEW-POAQFYNOSA-N 2 2 348.487 1.653 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(Br)o2)[C@H](C[NH3+])C1 ZINC000493141934 448374378 /nfs/dbraw/zinc/37/43/78/448374378.db2.gz UAOMRTKSZZRLQZ-TZGMSPROSA-N 2 2 328.210 1.157 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(Br)o2)[C@H](C[NH3+])C1 ZINC000493141934 448374381 /nfs/dbraw/zinc/37/43/81/448374381.db2.gz UAOMRTKSZZRLQZ-TZGMSPROSA-N 2 2 328.210 1.157 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000572705410 448441691 /nfs/dbraw/zinc/44/16/91/448441691.db2.gz GBDWKFRXJIEJAZ-QGZVFWFLSA-N 2 2 339.443 1.533 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCN4C(=O)CC[C@@H]4C3)c2cc1C ZINC000534298028 448442050 /nfs/dbraw/zinc/44/20/50/448442050.db2.gz DSWOBRPDXZHJMR-HZPDHXFCSA-N 2 2 342.443 1.321 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCN4C(=O)CC[C@@H]4C3)c2cc1C ZINC000534298028 448442056 /nfs/dbraw/zinc/44/20/56/448442056.db2.gz DSWOBRPDXZHJMR-HZPDHXFCSA-N 2 2 342.443 1.321 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000572715277 448444706 /nfs/dbraw/zinc/44/47/06/448444706.db2.gz ANKMQDKGFPDOFA-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000572715277 448444713 /nfs/dbraw/zinc/44/47/13/448444713.db2.gz ANKMQDKGFPDOFA-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP Cn1nc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000591718852 448469392 /nfs/dbraw/zinc/46/93/92/448469392.db2.gz GWWPAHNOGDKGEU-CQSZACIVSA-N 2 2 329.448 1.250 20 0 EDADLP Cn1nc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc21 ZINC000591718852 448469398 /nfs/dbraw/zinc/46/93/98/448469398.db2.gz GWWPAHNOGDKGEU-CQSZACIVSA-N 2 2 329.448 1.250 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)no1 ZINC000516862541 448484027 /nfs/dbraw/zinc/48/40/27/448484027.db2.gz GYNSKQSDVPPGPA-KRWDZBQOSA-N 2 2 342.443 2.566 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)no1 ZINC000516862541 448484031 /nfs/dbraw/zinc/48/40/31/448484031.db2.gz GYNSKQSDVPPGPA-KRWDZBQOSA-N 2 2 342.443 2.566 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000516916050 448495882 /nfs/dbraw/zinc/49/58/82/448495882.db2.gz NDJHXDAHTACTBV-CQSZACIVSA-N 2 2 345.274 1.820 20 0 EDADLP COCc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1F ZINC000572953608 448503831 /nfs/dbraw/zinc/50/38/31/448503831.db2.gz MMTRKZKHKUHJOC-ZQIUZPCESA-N 2 2 340.439 1.532 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000578312651 448512019 /nfs/dbraw/zinc/51/20/19/448512019.db2.gz UVPLSRLUDLDQRF-HNNXBMFYSA-N 2 2 341.415 1.360 20 0 EDADLP CC(C)C[C@@H](CNC(=O)c1conc1C(C)(C)[NH3+])[NH+]1CCOCC1 ZINC000572974185 448512130 /nfs/dbraw/zinc/51/21/30/448512130.db2.gz OHFPPJGIZFOZMV-ZDUSSCGKSA-N 2 2 338.452 1.345 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591869270 448516047 /nfs/dbraw/zinc/51/60/47/448516047.db2.gz NIWYSOLGAOPQRU-SFHVURJKSA-N 2 2 342.443 1.983 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000591869270 448516051 /nfs/dbraw/zinc/51/60/51/448516051.db2.gz NIWYSOLGAOPQRU-SFHVURJKSA-N 2 2 342.443 1.983 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2ccc(N)cn2)([NH+]2CCCCC2)CC1 ZINC000573203696 448567931 /nfs/dbraw/zinc/56/79/31/448567931.db2.gz RASBYSXWNHGVJP-UHFFFAOYSA-N 2 2 331.464 1.344 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000573206477 448568869 /nfs/dbraw/zinc/56/88/69/448568869.db2.gz AYDFNLASTZTIPR-LSDHHAIUSA-N 2 2 326.412 1.002 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000573206477 448568872 /nfs/dbraw/zinc/56/88/72/448568872.db2.gz AYDFNLASTZTIPR-LSDHHAIUSA-N 2 2 326.412 1.002 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000573084517 448538510 /nfs/dbraw/zinc/53/85/10/448538510.db2.gz ZLCJXEXCYYIYBM-MSOLQXFVSA-N 2 2 336.476 1.744 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000573084517 448538519 /nfs/dbraw/zinc/53/85/19/448538519.db2.gz ZLCJXEXCYYIYBM-MSOLQXFVSA-N 2 2 336.476 1.744 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000536875380 448545254 /nfs/dbraw/zinc/54/52/54/448545254.db2.gz HVEAGNBYTCOZPG-UHFFFAOYSA-N 2 2 344.459 1.270 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000573345345 448605232 /nfs/dbraw/zinc/60/52/32/448605232.db2.gz LPTFWYRRSMCLJY-DLBZAZTESA-N 2 2 346.475 1.152 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000573345345 448605235 /nfs/dbraw/zinc/60/52/35/448605235.db2.gz LPTFWYRRSMCLJY-DLBZAZTESA-N 2 2 346.475 1.152 20 0 EDADLP CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573358313 448608009 /nfs/dbraw/zinc/60/80/09/448608009.db2.gz HFOBMVPZIBDPJS-JTDSTZFVSA-N 2 2 347.459 1.655 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000573414172 448618293 /nfs/dbraw/zinc/61/82/93/448618293.db2.gz BLZFCBCGVYGMLW-SWLSCSKDSA-N 2 2 333.461 1.931 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000573414172 448618298 /nfs/dbraw/zinc/61/82/98/448618298.db2.gz BLZFCBCGVYGMLW-SWLSCSKDSA-N 2 2 333.461 1.931 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)C[C@H]1C ZINC000578569518 448580856 /nfs/dbraw/zinc/58/08/56/448580856.db2.gz OPFPEQHZVJXMJI-UKRRQHHQSA-N 2 2 335.452 1.233 20 0 EDADLP COCC[N@H+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)C[C@H]1C ZINC000578569518 448580860 /nfs/dbraw/zinc/58/08/60/448580860.db2.gz OPFPEQHZVJXMJI-UKRRQHHQSA-N 2 2 335.452 1.233 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000566917800 448585775 /nfs/dbraw/zinc/58/57/75/448585775.db2.gz OSUHXTAVMKABDY-BLLLJJGKSA-N 2 2 340.418 1.107 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000566966989 448592396 /nfs/dbraw/zinc/59/23/96/448592396.db2.gz AATOPWFOVNRLHT-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000566966989 448592402 /nfs/dbraw/zinc/59/24/02/448592402.db2.gz AATOPWFOVNRLHT-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276671 448656624 /nfs/dbraw/zinc/65/66/24/448656624.db2.gz QYMPAXNABPGERY-HUUCEWRRSA-N 2 2 349.479 1.478 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276671 448656630 /nfs/dbraw/zinc/65/66/30/448656630.db2.gz QYMPAXNABPGERY-HUUCEWRRSA-N 2 2 349.479 1.478 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000517948696 448633845 /nfs/dbraw/zinc/63/38/45/448633845.db2.gz ZOVZKNMIASXBKU-KRWDZBQOSA-N 2 2 344.463 1.520 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000517948696 448633849 /nfs/dbraw/zinc/63/38/49/448633849.db2.gz ZOVZKNMIASXBKU-KRWDZBQOSA-N 2 2 344.463 1.520 20 0 EDADLP O[C@@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C(F)(F)F ZINC000578997139 448689438 /nfs/dbraw/zinc/68/94/38/448689438.db2.gz DKEYZNMVSBZORU-HNNXBMFYSA-N 2 2 348.365 1.410 20 0 EDADLP CCC[C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[N@@H+]1CCOC ZINC000541816521 448694234 /nfs/dbraw/zinc/69/42/34/448694234.db2.gz JGKXEBZFDJHEMB-INIZCTEOSA-N 2 2 348.491 1.721 20 0 EDADLP CCC[C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC[N@H+]1CCOC ZINC000541816521 448694238 /nfs/dbraw/zinc/69/42/38/448694238.db2.gz JGKXEBZFDJHEMB-INIZCTEOSA-N 2 2 348.491 1.721 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)n1C ZINC000573700083 448694901 /nfs/dbraw/zinc/69/49/01/448694901.db2.gz WCFFSSDYZHCQMM-AWEZNQCLSA-N 2 2 340.435 1.172 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000518781091 448710022 /nfs/dbraw/zinc/71/00/22/448710022.db2.gz PPEDVVYWYKIXHQ-UHFFFAOYSA-N 2 2 336.443 2.000 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000518781091 448710033 /nfs/dbraw/zinc/71/00/33/448710033.db2.gz PPEDVVYWYKIXHQ-UHFFFAOYSA-N 2 2 336.443 2.000 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2(c3cccc(Cl)c3)CC2)[C@@H](C[NH3+])C1 ZINC000579098061 448712361 /nfs/dbraw/zinc/71/23/61/448712361.db2.gz SFVQZUSADNAUNR-HNNXBMFYSA-N 2 2 336.867 1.656 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3cccc(Cl)c3)CC2)[C@@H](C[NH3+])C1 ZINC000579098061 448712365 /nfs/dbraw/zinc/71/23/65/448712365.db2.gz SFVQZUSADNAUNR-HNNXBMFYSA-N 2 2 336.867 1.656 20 0 EDADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC(C)C)c1 ZINC000579098321 448712447 /nfs/dbraw/zinc/71/24/47/448712447.db2.gz UHXSLVAXSXUILP-INIZCTEOSA-N 2 2 334.464 1.567 20 0 EDADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC(C)C)c1 ZINC000579098321 448712451 /nfs/dbraw/zinc/71/24/51/448712451.db2.gz UHXSLVAXSXUILP-INIZCTEOSA-N 2 2 334.464 1.567 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000592092732 448678294 /nfs/dbraw/zinc/67/82/94/448678294.db2.gz AQPQCEKNMVJBOJ-SFHVURJKSA-N 2 2 342.443 1.772 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000592092732 448678299 /nfs/dbraw/zinc/67/82/99/448678299.db2.gz AQPQCEKNMVJBOJ-SFHVURJKSA-N 2 2 342.443 1.772 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)ccc2[nH+]1 ZINC000567713871 448746523 /nfs/dbraw/zinc/74/65/23/448746523.db2.gz OUABHEQRKMRHRK-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)ccc2[nH+]1 ZINC000567713871 448746527 /nfs/dbraw/zinc/74/65/27/448746527.db2.gz OUABHEQRKMRHRK-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000573938781 448753342 /nfs/dbraw/zinc/75/33/42/448753342.db2.gz KXHVURBLNNFQMH-HNNXBMFYSA-N 2 2 341.415 1.235 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000573938781 448753348 /nfs/dbraw/zinc/75/33/48/448753348.db2.gz KXHVURBLNNFQMH-HNNXBMFYSA-N 2 2 341.415 1.235 20 0 EDADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]1 ZINC000573940258 448753490 /nfs/dbraw/zinc/75/34/90/448753490.db2.gz LTGRMFIHLMSGHT-KBPBESRZSA-N 2 2 338.477 1.173 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC(F)F ZINC000573936749 448754140 /nfs/dbraw/zinc/75/41/40/448754140.db2.gz MKYCZVOVJIMKRX-LBPRGKRZSA-N 2 2 328.363 1.703 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC(F)F ZINC000573936749 448754144 /nfs/dbraw/zinc/75/41/44/448754144.db2.gz MKYCZVOVJIMKRX-LBPRGKRZSA-N 2 2 328.363 1.703 20 0 EDADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000585766048 448758434 /nfs/dbraw/zinc/75/84/34/448758434.db2.gz IALLUDMYIDBGFC-CHWSQXEVSA-N 2 2 339.233 1.887 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000529284642 448807315 /nfs/dbraw/zinc/80/73/15/448807315.db2.gz GBIAWHPTZVQDBP-INIZCTEOSA-N 2 2 331.464 1.821 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000519592818 448793396 /nfs/dbraw/zinc/79/33/96/448793396.db2.gz JTJAGNDQJMBBJS-WMZOPIPTSA-N 2 2 346.475 1.283 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000519592818 448793401 /nfs/dbraw/zinc/79/34/01/448793401.db2.gz JTJAGNDQJMBBJS-WMZOPIPTSA-N 2 2 346.475 1.283 20 0 EDADLP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000579467247 448800915 /nfs/dbraw/zinc/80/09/15/448800915.db2.gz AHDJKDCGRSITPL-UKRRQHHQSA-N 2 2 328.420 1.551 20 0 EDADLP CCN1CCN(C(=O)NCCC2=CC[NH2+]CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000574299393 448841778 /nfs/dbraw/zinc/84/17/78/448841778.db2.gz LOOKGNKFDAJKLB-OAHLLOKOSA-N 2 2 332.452 1.108 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc2c(c1)CCS2(=O)=O ZINC000546764745 448849390 /nfs/dbraw/zinc/84/93/90/448849390.db2.gz BJXYRQNVNMWNIC-UHFFFAOYSA-N 2 2 331.441 1.767 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C1 ZINC000574568899 448903473 /nfs/dbraw/zinc/90/34/73/448903473.db2.gz GZHCVWIACWMKTI-PWNZVWSESA-N 2 2 341.452 1.154 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C1 ZINC000574568899 448903481 /nfs/dbraw/zinc/90/34/81/448903481.db2.gz GZHCVWIACWMKTI-PWNZVWSESA-N 2 2 341.452 1.154 20 0 EDADLP COCC[NH2+]CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000520577987 448911832 /nfs/dbraw/zinc/91/18/32/448911832.db2.gz NLVHJCZRPFGSFZ-UHFFFAOYSA-N 2 2 326.466 1.694 20 0 EDADLP C[NH+]1CCC([NH+]2CCC([NH2+]CCC(=O)Nc3cccnc3)CC2)CC1 ZINC000579943866 448915525 /nfs/dbraw/zinc/91/55/25/448915525.db2.gz VNGNQBRWTHBMNB-UHFFFAOYSA-N 3 2 345.491 1.558 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000579958597 448922537 /nfs/dbraw/zinc/92/25/37/448922537.db2.gz KTBCWZOCMMEFDU-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000579958597 448922542 /nfs/dbraw/zinc/92/25/42/448922542.db2.gz KTBCWZOCMMEFDU-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP Fc1ccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000529533323 448891893 /nfs/dbraw/zinc/89/18/93/448891893.db2.gz MHCAKVRTIKHLJP-UHFFFAOYSA-N 2 2 330.411 1.313 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCCc1c(F)cccc1F ZINC000579848987 448895791 /nfs/dbraw/zinc/89/57/91/448895791.db2.gz CYQNLUVDXYTXHF-UHFFFAOYSA-N 2 2 349.385 1.169 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)nnn3C)CCO1 ZINC000548020952 448967826 /nfs/dbraw/zinc/96/78/26/448967826.db2.gz GZZCUEODFYTJOC-DYVFJYSZSA-N 2 2 326.404 1.712 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)nc(C(C)C)[nH+]1 ZINC000529846614 448983937 /nfs/dbraw/zinc/98/39/37/448983937.db2.gz WYZFPJHZGIWRGJ-HNNXBMFYSA-N 2 2 331.464 2.063 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)nc(C(C)C)[nH+]1 ZINC000529846614 448983946 /nfs/dbraw/zinc/98/39/46/448983946.db2.gz WYZFPJHZGIWRGJ-HNNXBMFYSA-N 2 2 331.464 2.063 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc(C)[nH+]1 ZINC000569330324 449003231 /nfs/dbraw/zinc/00/32/31/449003231.db2.gz MFJBVMUQHHNQOP-KRWDZBQOSA-N 2 2 325.416 1.950 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522305334 449075208 /nfs/dbraw/zinc/07/52/08/449075208.db2.gz GCELKRXOFQNMCS-HNNXBMFYSA-N 2 2 325.416 1.908 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000530219006 449084349 /nfs/dbraw/zinc/08/43/49/449084349.db2.gz ONDOARXGXBRUQX-CYBMUJFWSA-N 2 2 342.365 1.497 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000530219006 449084352 /nfs/dbraw/zinc/08/43/52/449084352.db2.gz ONDOARXGXBRUQX-CYBMUJFWSA-N 2 2 342.365 1.497 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000582295512 449059098 /nfs/dbraw/zinc/05/90/98/449059098.db2.gz VVZIZLAZMZUDID-NEWSRXKRSA-N 2 2 345.487 1.577 20 0 EDADLP O=C1N[C@@H]2C[N@H+](Cc3ncccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000530223548 449086232 /nfs/dbraw/zinc/08/62/32/449086232.db2.gz KMDHSFNYAFLFDL-CVEARBPZSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](Cc3ncccc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000530223548 449086236 /nfs/dbraw/zinc/08/62/36/449086236.db2.gz KMDHSFNYAFLFDL-CVEARBPZSA-N 2 2 349.866 1.455 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCCc1c(F)cccc1F ZINC000575237206 449067108 /nfs/dbraw/zinc/06/71/08/449067108.db2.gz HHEPVWNTGSDTOI-BWACUDIHSA-N 2 2 325.403 1.600 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc([S@](C)=O)c1 ZINC000597989334 449173343 /nfs/dbraw/zinc/17/33/43/449173343.db2.gz DJFCEWISWBMLBE-QFIPXVFZSA-N 2 2 325.478 1.037 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc([S@](C)=O)c1 ZINC000597989334 449173349 /nfs/dbraw/zinc/17/33/49/449173349.db2.gz DJFCEWISWBMLBE-QFIPXVFZSA-N 2 2 325.478 1.037 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOC(C)(C)C)C2)CC1 ZINC000604186138 449189453 /nfs/dbraw/zinc/18/94/53/449189453.db2.gz OUFUDHXUWQGTAC-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOC(C)(C)C)C2)CC1 ZINC000604186138 449189458 /nfs/dbraw/zinc/18/94/58/449189458.db2.gz OUFUDHXUWQGTAC-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CCN(C[C@@H]1CCOC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207964 449193094 /nfs/dbraw/zinc/19/30/94/449193094.db2.gz BHGQHBDTRRBNNU-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP CCN(C[C@@H]1CCOC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207964 449193101 /nfs/dbraw/zinc/19/31/01/449193101.db2.gz BHGQHBDTRRBNNU-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP CCOC(=O)c1cnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000611493250 449308384 /nfs/dbraw/zinc/30/83/84/449308384.db2.gz YBCFSMKQCOGLNA-AWEZNQCLSA-N 2 2 347.463 1.542 20 0 EDADLP CCOC(=O)c1cnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000611493250 449308389 /nfs/dbraw/zinc/30/83/89/449308389.db2.gz YBCFSMKQCOGLNA-AWEZNQCLSA-N 2 2 347.463 1.542 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000596179691 449399555 /nfs/dbraw/zinc/39/95/55/449399555.db2.gz OOCAMGFHTBVHIX-RDJZCZTQSA-N 2 2 346.475 1.259 20 0 EDADLP O=C(C[N@@H+]1CCOc2ccccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000614026500 449421352 /nfs/dbraw/zinc/42/13/52/449421352.db2.gz WXUNNZBUZMFTML-UHFFFAOYSA-N 2 2 329.444 1.624 20 0 EDADLP O=C(C[N@H+]1CCOc2ccccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000614026500 449421357 /nfs/dbraw/zinc/42/13/57/449421357.db2.gz WXUNNZBUZMFTML-UHFFFAOYSA-N 2 2 329.444 1.624 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000600518048 449423251 /nfs/dbraw/zinc/42/32/51/449423251.db2.gz ITIWTAXQZCPDPL-UHFFFAOYSA-N 2 2 334.464 1.815 20 0 EDADLP COc1cc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000602203486 449431333 /nfs/dbraw/zinc/43/13/33/449431333.db2.gz PVWAXVFAAXCHHB-KRWDZBQOSA-N 2 2 345.487 1.831 20 0 EDADLP COc1cc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000602203486 449431337 /nfs/dbraw/zinc/43/13/37/449431337.db2.gz PVWAXVFAAXCHHB-KRWDZBQOSA-N 2 2 345.487 1.831 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)COC4)C2)CC1 ZINC000602205151 449431720 /nfs/dbraw/zinc/43/17/20/449431720.db2.gz RVEKWMUNDKEYHW-QGZVFWFLSA-N 2 2 329.444 1.615 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)COC4)C2)CC1 ZINC000602205151 449431724 /nfs/dbraw/zinc/43/17/24/449431724.db2.gz RVEKWMUNDKEYHW-QGZVFWFLSA-N 2 2 329.444 1.615 20 0 EDADLP CC[C@@H](C(=O)N1CCC[NH+](C)C[C@@H]1CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000614341744 449566881 /nfs/dbraw/zinc/56/68/81/449566881.db2.gz KNJWWQBJFQFKNB-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CCC[NH+](C)C[C@@H]1CC)[N@H+]1CCO[C@H](CC)C1 ZINC000614341744 449566883 /nfs/dbraw/zinc/56/68/83/449566883.db2.gz KNJWWQBJFQFKNB-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@H+](C)C[C@@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000614341744 449566885 /nfs/dbraw/zinc/56/68/85/449566885.db2.gz KNJWWQBJFQFKNB-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@@H+](C)C[C@@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000614341744 449566887 /nfs/dbraw/zinc/56/68/87/449566887.db2.gz KNJWWQBJFQFKNB-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CO[C@H]1C[N@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000600886608 449585623 /nfs/dbraw/zinc/58/56/23/449585623.db2.gz RVDOGZYUDOBBPJ-PBHICJAKSA-N 2 2 334.420 1.163 20 0 EDADLP CO[C@H]1C[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000600886608 449585625 /nfs/dbraw/zinc/58/56/25/449585625.db2.gz RVDOGZYUDOBBPJ-PBHICJAKSA-N 2 2 334.420 1.163 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3cccs3)C2)CC1 ZINC000602391175 449558233 /nfs/dbraw/zinc/55/82/33/449558233.db2.gz WIYUBOCPDPARFS-AWEZNQCLSA-N 2 2 336.505 1.758 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3cccs3)C2)CC1 ZINC000602391175 449558239 /nfs/dbraw/zinc/55/82/39/449558239.db2.gz WIYUBOCPDPARFS-AWEZNQCLSA-N 2 2 336.505 1.758 20 0 EDADLP C[C@H](C[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C)Cn1cc[nH+]c1 ZINC000602528899 449652652 /nfs/dbraw/zinc/65/26/52/449652652.db2.gz PHOQACBQMNBATH-CYBMUJFWSA-N 2 2 333.436 1.998 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000607935945 449674502 /nfs/dbraw/zinc/67/45/02/449674502.db2.gz AZRYCHKRXNWJCW-HNNXBMFYSA-N 2 2 340.431 1.610 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)([NH+]2CCCCC2)CC1 ZINC000607944973 449678642 /nfs/dbraw/zinc/67/86/42/449678642.db2.gz KPGUFQXHCATEOD-KRWDZBQOSA-N 3 2 336.524 1.537 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)([NH+]2CCCCC2)CC1 ZINC000607944973 449678644 /nfs/dbraw/zinc/67/86/44/449678644.db2.gz KPGUFQXHCATEOD-KRWDZBQOSA-N 3 2 336.524 1.537 20 0 EDADLP CN1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)([NH+]2CCCCC2)CC1 ZINC000607944973 449678648 /nfs/dbraw/zinc/67/86/48/449678648.db2.gz KPGUFQXHCATEOD-KRWDZBQOSA-N 2 2 336.524 1.537 20 0 EDADLP CN1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)([NH+]2CCCCC2)CC1 ZINC000607944973 449678650 /nfs/dbraw/zinc/67/86/50/449678650.db2.gz KPGUFQXHCATEOD-KRWDZBQOSA-N 2 2 336.524 1.537 20 0 EDADLP Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602510678 449639913 /nfs/dbraw/zinc/63/99/13/449639913.db2.gz LQNLFHXSOZWNHR-ZDUSSCGKSA-N 2 2 334.464 1.949 20 0 EDADLP Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602510678 449639916 /nfs/dbraw/zinc/63/99/16/449639916.db2.gz LQNLFHXSOZWNHR-ZDUSSCGKSA-N 2 2 334.464 1.949 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617696360 449740343 /nfs/dbraw/zinc/74/03/43/449740343.db2.gz HSLOQXLDELNVCS-KBXCAEBGSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617696360 449740350 /nfs/dbraw/zinc/74/03/50/449740350.db2.gz HSLOQXLDELNVCS-KBXCAEBGSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617696360 449740353 /nfs/dbraw/zinc/74/03/53/449740353.db2.gz HSLOQXLDELNVCS-KBXCAEBGSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617696360 449740361 /nfs/dbraw/zinc/74/03/61/449740361.db2.gz HSLOQXLDELNVCS-KBXCAEBGSA-N 2 2 342.443 1.471 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1 ZINC000614663146 449747865 /nfs/dbraw/zinc/74/78/65/449747865.db2.gz MLHSTZFFYJPJQF-CABCVRRESA-N 2 2 335.452 1.272 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1 ZINC000614663146 449747869 /nfs/dbraw/zinc/74/78/69/449747869.db2.gz MLHSTZFFYJPJQF-CABCVRRESA-N 2 2 335.452 1.272 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614663146 449747872 /nfs/dbraw/zinc/74/78/72/449747872.db2.gz MLHSTZFFYJPJQF-CABCVRRESA-N 2 2 335.452 1.272 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614663146 449747877 /nfs/dbraw/zinc/74/78/77/449747877.db2.gz MLHSTZFFYJPJQF-CABCVRRESA-N 2 2 335.452 1.272 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)CC1 ZINC000597004075 449758573 /nfs/dbraw/zinc/75/85/73/449758573.db2.gz VULWIYVHCAFOSO-SFHVURJKSA-N 3 2 340.475 1.479 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)CC1 ZINC000597004075 449758584 /nfs/dbraw/zinc/75/85/84/449758584.db2.gz VULWIYVHCAFOSO-SFHVURJKSA-N 3 2 340.475 1.479 20 0 EDADLP CN(C(=O)CCC1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608133127 449761246 /nfs/dbraw/zinc/76/12/46/449761246.db2.gz CEPIWXQTSWMYLU-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP CN(C(=O)CCC1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608133127 449761253 /nfs/dbraw/zinc/76/12/53/449761253.db2.gz CEPIWXQTSWMYLU-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H](C(=O)OC(C)(C)C)C3CC3)CC2)C1 ZINC000602790183 449811088 /nfs/dbraw/zinc/81/10/88/449811088.db2.gz GUCSQHCQWYDFKF-IRXDYDNUSA-N 2 2 337.508 1.819 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H](C(=O)OC(C)(C)C)C3CC3)CC2)C1 ZINC000602790183 449811092 /nfs/dbraw/zinc/81/10/92/449811092.db2.gz GUCSQHCQWYDFKF-IRXDYDNUSA-N 2 2 337.508 1.819 20 0 EDADLP Cn1nc(-c2ccccc2)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762115 449820828 /nfs/dbraw/zinc/82/08/28/449820828.db2.gz HTTXAAIDCQGDPU-UHFFFAOYSA-N 2 2 343.475 1.700 20 0 EDADLP Cn1nc(-c2ccccc2)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762115 449820833 /nfs/dbraw/zinc/82/08/33/449820833.db2.gz HTTXAAIDCQGDPU-UHFFFAOYSA-N 2 2 343.475 1.700 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000617763672 449822615 /nfs/dbraw/zinc/82/26/15/449822615.db2.gz XBOWYASAMBZMIF-UHFFFAOYSA-N 2 2 346.475 1.530 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000617763672 449822620 /nfs/dbraw/zinc/82/26/20/449822620.db2.gz XBOWYASAMBZMIF-UHFFFAOYSA-N 2 2 346.475 1.530 20 0 EDADLP COc1cccc2c1[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC2 ZINC000617763186 449822932 /nfs/dbraw/zinc/82/29/32/449822932.db2.gz INXUKPHPTMBNAB-INIZCTEOSA-N 2 2 333.476 1.725 20 0 EDADLP COc1cccc2c1[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000617763186 449822934 /nfs/dbraw/zinc/82/29/34/449822934.db2.gz INXUKPHPTMBNAB-INIZCTEOSA-N 2 2 333.476 1.725 20 0 EDADLP Cc1nn(C)c2sc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc12 ZINC000617767795 449831147 /nfs/dbraw/zinc/83/11/47/449831147.db2.gz CXVWWDIOORCKLT-UHFFFAOYSA-N 2 2 337.493 1.557 20 0 EDADLP Cc1nn(C)c2sc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000617767795 449831153 /nfs/dbraw/zinc/83/11/53/449831153.db2.gz CXVWWDIOORCKLT-UHFFFAOYSA-N 2 2 337.493 1.557 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CO2 ZINC000617767955 449833586 /nfs/dbraw/zinc/83/35/86/449833586.db2.gz JLLJPEBTNVZFPP-MRXNPFEDSA-N 2 2 349.475 1.246 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO2 ZINC000617767955 449833593 /nfs/dbraw/zinc/83/35/93/449833593.db2.gz JLLJPEBTNVZFPP-MRXNPFEDSA-N 2 2 349.475 1.246 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1C ZINC000601332366 449839919 /nfs/dbraw/zinc/83/99/19/449839919.db2.gz JZDXKPOXSMZIME-KDOFPFPSSA-N 2 2 330.432 1.683 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC000602775592 449798908 /nfs/dbraw/zinc/79/89/08/449798908.db2.gz JVJFVDXCSJVPHO-SJORKVTESA-N 2 2 337.508 1.819 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC000602775592 449798915 /nfs/dbraw/zinc/79/89/15/449798915.db2.gz JVJFVDXCSJVPHO-SJORKVTESA-N 2 2 337.508 1.819 20 0 EDADLP COC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C1CCOCC1 ZINC000597178661 449857585 /nfs/dbraw/zinc/85/75/85/449857585.db2.gz DQTADIQBDCSAPE-KRWDZBQOSA-N 2 2 342.480 1.435 20 0 EDADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000612726514 449851697 /nfs/dbraw/zinc/85/16/97/449851697.db2.gz NXAZASFJFQJVJH-HBUWYVDXSA-N 2 2 328.460 1.990 20 0 EDADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000612726514 449851703 /nfs/dbraw/zinc/85/17/03/449851703.db2.gz NXAZASFJFQJVJH-HBUWYVDXSA-N 2 2 328.460 1.990 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000612726514 449851709 /nfs/dbraw/zinc/85/17/09/449851709.db2.gz NXAZASFJFQJVJH-HBUWYVDXSA-N 2 2 328.460 1.990 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000612726514 449851713 /nfs/dbraw/zinc/85/17/13/449851713.db2.gz NXAZASFJFQJVJH-HBUWYVDXSA-N 2 2 328.460 1.990 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000615091405 449952286 /nfs/dbraw/zinc/95/22/86/449952286.db2.gz ZPCCOXGMAUXGJW-HNNXBMFYSA-N 2 2 346.475 1.474 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000615091405 449952290 /nfs/dbraw/zinc/95/22/90/449952290.db2.gz ZPCCOXGMAUXGJW-HNNXBMFYSA-N 2 2 346.475 1.474 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615108914 449962084 /nfs/dbraw/zinc/96/20/84/449962084.db2.gz QHBGUTPWJSKFDI-ZBFHGGJFSA-N 2 2 340.427 1.720 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000615108914 449962088 /nfs/dbraw/zinc/96/20/88/449962088.db2.gz QHBGUTPWJSKFDI-ZBFHGGJFSA-N 2 2 340.427 1.720 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615108914 449962094 /nfs/dbraw/zinc/96/20/94/449962094.db2.gz QHBGUTPWJSKFDI-ZBFHGGJFSA-N 2 2 340.427 1.720 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000615108914 449962098 /nfs/dbraw/zinc/96/20/98/449962098.db2.gz QHBGUTPWJSKFDI-ZBFHGGJFSA-N 2 2 340.427 1.720 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1CCCO1 ZINC000613005118 449979754 /nfs/dbraw/zinc/97/97/54/449979754.db2.gz KMHPHJKMFWHTPP-BBCBXFPWSA-N 2 2 349.519 1.961 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@@H]1CCCO1 ZINC000613005118 449979759 /nfs/dbraw/zinc/97/97/59/449979759.db2.gz KMHPHJKMFWHTPP-BBCBXFPWSA-N 2 2 349.519 1.961 20 0 EDADLP CN(C(=O)c1cccc2[nH]ncc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477726 450000862 /nfs/dbraw/zinc/00/08/62/450000862.db2.gz UBYJESYBUSKQGA-HNNXBMFYSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1cccc2[nH]ncc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477726 450000866 /nfs/dbraw/zinc/00/08/66/450000866.db2.gz UBYJESYBUSKQGA-HNNXBMFYSA-N 2 2 341.459 1.803 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599556130 450057839 /nfs/dbraw/zinc/05/78/39/450057839.db2.gz DMTAJAAQRYCDPM-ZDUSSCGKSA-N 2 2 341.477 1.422 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599556130 450057842 /nfs/dbraw/zinc/05/78/42/450057842.db2.gz DMTAJAAQRYCDPM-ZDUSSCGKSA-N 2 2 341.477 1.422 20 0 EDADLP COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000599591896 450090584 /nfs/dbraw/zinc/09/05/84/450090584.db2.gz SJWCPKXWGCCRSX-LSDHHAIUSA-N 2 2 337.420 1.398 20 0 EDADLP COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000599591896 450090591 /nfs/dbraw/zinc/09/05/91/450090591.db2.gz SJWCPKXWGCCRSX-LSDHHAIUSA-N 2 2 337.420 1.398 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595473774 450167664 /nfs/dbraw/zinc/16/76/64/450167664.db2.gz LEOXOAVRPDKFMK-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595473774 450167667 /nfs/dbraw/zinc/16/76/67/450167667.db2.gz LEOXOAVRPDKFMK-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)C[C@](C)([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1cccc(F)c1 ZINC000595483815 450175882 /nfs/dbraw/zinc/17/58/82/450175882.db2.gz MYZHAHDELBFRGW-AEFFLSMTSA-N 2 2 340.439 1.895 20 0 EDADLP COC(=O)C[C@](C)([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1cccc(F)c1 ZINC000595483815 450175885 /nfs/dbraw/zinc/17/58/85/450175885.db2.gz MYZHAHDELBFRGW-AEFFLSMTSA-N 2 2 340.439 1.895 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603274921 450201222 /nfs/dbraw/zinc/20/12/22/450201222.db2.gz SFNPWIOAIMAQGF-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603274921 450201228 /nfs/dbraw/zinc/20/12/28/450201228.db2.gz SFNPWIOAIMAQGF-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000610582022 450267146 /nfs/dbraw/zinc/26/71/46/450267146.db2.gz JSAGWBLYZCPWCR-NSHDSACASA-N 2 2 338.374 1.227 20 0 EDADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000610582022 450267147 /nfs/dbraw/zinc/26/71/47/450267147.db2.gz JSAGWBLYZCPWCR-NSHDSACASA-N 2 2 338.374 1.227 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000603430974 450299467 /nfs/dbraw/zinc/29/94/67/450299467.db2.gz DIZMKKGACPBZOI-QWRGUYRKSA-N 2 2 325.434 1.579 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000623263081 450468611 /nfs/dbraw/zinc/46/86/11/450468611.db2.gz BHMNJUQMUMSDFF-YJBOKZPZSA-N 2 2 340.427 1.122 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744421 450493892 /nfs/dbraw/zinc/49/38/92/450493892.db2.gz NORXZKHKRXCNLQ-UMVBOHGHSA-N 2 2 332.366 1.823 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744421 450493893 /nfs/dbraw/zinc/49/38/93/450493893.db2.gz NORXZKHKRXCNLQ-UMVBOHGHSA-N 2 2 332.366 1.823 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2n1C ZINC000620479340 450498827 /nfs/dbraw/zinc/49/88/27/450498827.db2.gz SUKPTALVOBPYNK-INIZCTEOSA-N 2 2 342.443 1.553 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)cc2n1C ZINC000620479340 450498831 /nfs/dbraw/zinc/49/88/31/450498831.db2.gz SUKPTALVOBPYNK-INIZCTEOSA-N 2 2 342.443 1.553 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000625848101 450520755 /nfs/dbraw/zinc/52/07/55/450520755.db2.gz QUFPBKBQBNBNMQ-IIAWOOMASA-N 2 2 332.448 1.779 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000623477885 450527987 /nfs/dbraw/zinc/52/79/87/450527987.db2.gz VMDBBZGHHFCLSE-INIZCTEOSA-N 2 2 349.479 1.558 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620721195 450530757 /nfs/dbraw/zinc/53/07/57/450530757.db2.gz AMWYHIYITKBGLP-SFHVURJKSA-N 2 2 341.459 1.124 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620721195 450530758 /nfs/dbraw/zinc/53/07/58/450530758.db2.gz AMWYHIYITKBGLP-SFHVURJKSA-N 2 2 341.459 1.124 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000625962593 450544585 /nfs/dbraw/zinc/54/45/85/450544585.db2.gz HIHGKDMDJXFKBB-IAGOWNOFSA-N 2 2 330.476 1.944 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000625962593 450544587 /nfs/dbraw/zinc/54/45/87/450544587.db2.gz HIHGKDMDJXFKBB-IAGOWNOFSA-N 2 2 330.476 1.944 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1c[nH+]cn1C ZINC000620785818 450544854 /nfs/dbraw/zinc/54/48/54/450544854.db2.gz WLZLCCZQMGNXAT-SJLPKXTDSA-N 2 2 341.459 1.414 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1c[nH+]cn1C ZINC000620785818 450544855 /nfs/dbraw/zinc/54/48/55/450544855.db2.gz WLZLCCZQMGNXAT-SJLPKXTDSA-N 2 2 341.459 1.414 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000623575506 450545610 /nfs/dbraw/zinc/54/56/10/450545610.db2.gz DNVOIFYHVDHMCZ-GFCCVEGCSA-N 2 2 347.385 1.977 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000623575506 450545613 /nfs/dbraw/zinc/54/56/13/450545613.db2.gz DNVOIFYHVDHMCZ-GFCCVEGCSA-N 2 2 347.385 1.977 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc2ccc(O)cc2s1 ZINC000631442500 450593347 /nfs/dbraw/zinc/59/33/47/450593347.db2.gz KHEQAYIMZZMNRV-UHFFFAOYSA-N 2 2 336.461 1.615 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc2ccc(O)cc2s1 ZINC000631442500 450593356 /nfs/dbraw/zinc/59/33/56/450593356.db2.gz KHEQAYIMZZMNRV-UHFFFAOYSA-N 2 2 336.461 1.615 20 0 EDADLP COC[C@]1(C)C[NH+]([C@@H](C)CC[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174990 450609422 /nfs/dbraw/zinc/60/94/22/450609422.db2.gz FHIPVUOCFLYVRW-BZSNNMDCSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@]1(C)C[NH+]([C@@H](C)CC[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174990 450609428 /nfs/dbraw/zinc/60/94/28/450609428.db2.gz FHIPVUOCFLYVRW-BZSNNMDCSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@]1(C)C[NH+](CC[C@H](C)[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174990 450609433 /nfs/dbraw/zinc/60/94/33/450609433.db2.gz FHIPVUOCFLYVRW-BZSNNMDCSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@]1(C)C[NH+](CC[C@H](C)[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174990 450609439 /nfs/dbraw/zinc/60/94/39/450609439.db2.gz FHIPVUOCFLYVRW-BZSNNMDCSA-N 2 2 344.496 1.240 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000623878577 450622957 /nfs/dbraw/zinc/62/29/57/450622957.db2.gz LKHKICNIXXWLNS-HNNXBMFYSA-N 2 2 341.459 1.512 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000629414322 450660474 /nfs/dbraw/zinc/66/04/74/450660474.db2.gz MSXDQYIWTIVEBA-HNNXBMFYSA-N 2 2 334.464 1.692 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000629414322 450660479 /nfs/dbraw/zinc/66/04/79/450660479.db2.gz MSXDQYIWTIVEBA-HNNXBMFYSA-N 2 2 334.464 1.692 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H]2CCCc3ncccc32)C1=O ZINC000631617183 450680180 /nfs/dbraw/zinc/68/01/80/450680180.db2.gz MBHOVNLNNKTQHN-IAGOWNOFSA-N 2 2 339.443 1.973 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCc2cc(OC)c(O)c(OC)c2)C1 ZINC000621390933 450711749 /nfs/dbraw/zinc/71/17/49/450711749.db2.gz RHADRAXWXYYYOR-HNNXBMFYSA-N 2 2 338.448 1.652 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCCc2cc(OC)c(O)c(OC)c2)C1 ZINC000621390933 450711755 /nfs/dbraw/zinc/71/17/55/450711755.db2.gz RHADRAXWXYYYOR-HNNXBMFYSA-N 2 2 338.448 1.652 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2c(C)cc(C)nc2OC)CC1 ZINC000621392379 450712370 /nfs/dbraw/zinc/71/23/70/450712370.db2.gz IPZHESJDOXTEEL-INIZCTEOSA-N 2 2 348.491 1.691 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2c(C)cc(C)nc2OC)CC1 ZINC000621392379 450712375 /nfs/dbraw/zinc/71/23/75/450712375.db2.gz IPZHESJDOXTEEL-INIZCTEOSA-N 2 2 348.491 1.691 20 0 EDADLP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)ccc1S(C)(=O)=O ZINC000629521071 450724226 /nfs/dbraw/zinc/72/42/26/450724226.db2.gz KZFPSENDTOZLBN-LBPRGKRZSA-N 2 2 342.461 1.257 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621642106 450807176 /nfs/dbraw/zinc/80/71/76/450807176.db2.gz DUCXALZOTWYOFM-MRXNPFEDSA-N 2 2 334.464 1.715 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000635301472 450827157 /nfs/dbraw/zinc/82/71/57/450827157.db2.gz BYJYHCLHXMAUBM-UHFFFAOYSA-N 2 2 334.420 1.362 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000635303321 450828032 /nfs/dbraw/zinc/82/80/32/450828032.db2.gz KCFKMUUKYDBKPC-UHFFFAOYSA-N 2 2 346.475 1.525 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631869498 450836428 /nfs/dbraw/zinc/83/64/28/450836428.db2.gz OHMNTIGSHHKQBJ-BEFAXECRSA-N 2 2 347.459 1.312 20 0 EDADLP COCc1ncc2c(n1)CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C2 ZINC000631835795 450805427 /nfs/dbraw/zinc/80/54/27/450805427.db2.gz XYGJVFTWQWHMFN-HNNXBMFYSA-N 2 2 342.443 1.732 20 0 EDADLP COCc1ncc2c(n1)CC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C2 ZINC000631835795 450805428 /nfs/dbraw/zinc/80/54/28/450805428.db2.gz XYGJVFTWQWHMFN-HNNXBMFYSA-N 2 2 342.443 1.732 20 0 EDADLP [NH3+][C@]12CCC[C@H]1CN(CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000621781611 450866287 /nfs/dbraw/zinc/86/62/87/450866287.db2.gz GVBVYZKVYSGJLH-WMZOPIPTSA-N 2 2 348.516 1.206 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621786645 450868284 /nfs/dbraw/zinc/86/82/84/450868284.db2.gz XAYBODVWLWDVAE-UHFFFAOYSA-N 2 2 330.432 1.944 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)C3CCC3)c[nH+]2)CCO1 ZINC000629948780 450908259 /nfs/dbraw/zinc/90/82/59/450908259.db2.gz IVEITUMJVPTUFR-CQSZACIVSA-N 2 2 332.448 1.407 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)C3CCC3)c[nH+]2)CCO1 ZINC000629948780 450908262 /nfs/dbraw/zinc/90/82/62/450908262.db2.gz IVEITUMJVPTUFR-CQSZACIVSA-N 2 2 332.448 1.407 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000631960025 450917619 /nfs/dbraw/zinc/91/76/19/450917619.db2.gz HCQAMHGJDZNCFX-GOSISDBHSA-N 2 2 342.443 1.378 20 0 EDADLP O[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)CC1(O)CCOCC1 ZINC000630036737 450968270 /nfs/dbraw/zinc/96/82/70/450968270.db2.gz OIHFKONIJJAAFQ-KRWDZBQOSA-N 2 2 326.481 1.229 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCOCC1 ZINC000626930087 451013064 /nfs/dbraw/zinc/01/30/64/451013064.db2.gz WXFICEKYEGQDIU-UHFFFAOYSA-N 2 2 347.463 1.379 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)[nH+]1 ZINC000635542803 451038603 /nfs/dbraw/zinc/03/86/03/451038603.db2.gz GTTAEOZKHUPSHW-UHFFFAOYSA-N 2 2 344.463 1.334 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635556442 451053632 /nfs/dbraw/zinc/05/36/32/451053632.db2.gz QFWKEKVWGCSTCO-IAGOWNOFSA-N 2 2 335.496 1.613 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000635573177 451072276 /nfs/dbraw/zinc/07/22/76/451072276.db2.gz SIFSXBMDQLGYHH-FPCVCCKLSA-N 2 2 334.464 1.766 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000635573177 451072281 /nfs/dbraw/zinc/07/22/81/451072281.db2.gz SIFSXBMDQLGYHH-FPCVCCKLSA-N 2 2 334.464 1.766 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC000635573177 451072286 /nfs/dbraw/zinc/07/22/86/451072286.db2.gz SIFSXBMDQLGYHH-FPCVCCKLSA-N 2 2 334.464 1.766 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC000635573177 451072288 /nfs/dbraw/zinc/07/22/88/451072288.db2.gz SIFSXBMDQLGYHH-FPCVCCKLSA-N 2 2 334.464 1.766 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000627056465 451104926 /nfs/dbraw/zinc/10/49/26/451104926.db2.gz AZQWAPNBAJHBRX-CMPLNLGQSA-N 2 2 333.358 1.131 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627069748 451110362 /nfs/dbraw/zinc/11/03/62/451110362.db2.gz RXPONQZLDYYBFR-LSDHHAIUSA-N 2 2 348.495 2.008 20 0 EDADLP Cc1cc(NCCNC(=O)NCC[C@@H]([NH3+])C(C)C)nc(C(C)C)[nH+]1 ZINC000627117151 451132742 /nfs/dbraw/zinc/13/27/42/451132742.db2.gz SVLLJVHIUXYRKZ-CQSZACIVSA-N 2 2 336.484 1.993 20 0 EDADLP C[C@@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1[nH+]ccn1C ZINC000627118248 451133427 /nfs/dbraw/zinc/13/34/27/451133427.db2.gz VWOFWYOFBXVLIW-HIFRSBDPSA-N 2 2 335.452 1.281 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000628152669 451159835 /nfs/dbraw/zinc/15/98/35/451159835.db2.gz KCBBHPDPHJWJFI-SFHVURJKSA-N 2 2 341.459 1.124 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000628152669 451159839 /nfs/dbraw/zinc/15/98/39/451159839.db2.gz KCBBHPDPHJWJFI-SFHVURJKSA-N 2 2 341.459 1.124 20 0 EDADLP CCCNC(=O)CCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193814 451229658 /nfs/dbraw/zinc/22/96/58/451229658.db2.gz CAOYMGBLYHDBMS-UHFFFAOYSA-N 2 2 333.436 1.078 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCc3cncnc3)c2)CC1 ZINC000634193971 451229772 /nfs/dbraw/zinc/22/97/72/451229772.db2.gz OFVNDFYYKVICSL-UHFFFAOYSA-N 2 2 326.404 1.195 20 0 EDADLP Cc1cc(C)n([C@H](C)C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000634193843 451229120 /nfs/dbraw/zinc/22/91/20/451229120.db2.gz DHTUXTMAZWTTER-OAHLLOKOSA-N 2 2 342.447 1.846 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)[C@H]2C1 ZINC000635778779 451234119 /nfs/dbraw/zinc/23/41/19/451234119.db2.gz GRHVTIJCVLJKKQ-FRRDWIJNSA-N 2 2 330.354 1.929 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)[C@H]2C1 ZINC000635778779 451234125 /nfs/dbraw/zinc/23/41/25/451234125.db2.gz GRHVTIJCVLJKKQ-FRRDWIJNSA-N 2 2 330.354 1.929 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)[C@H]2C1 ZINC000635778777 451234257 /nfs/dbraw/zinc/23/42/57/451234257.db2.gz GRHVTIJCVLJKKQ-AGIUHOORSA-N 2 2 330.354 1.929 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)[C@H]2C1 ZINC000635778777 451234260 /nfs/dbraw/zinc/23/42/60/451234260.db2.gz GRHVTIJCVLJKKQ-AGIUHOORSA-N 2 2 330.354 1.929 20 0 EDADLP Cc1noc(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000634198301 451235073 /nfs/dbraw/zinc/23/50/73/451235073.db2.gz QOZQRMGYCQSGPO-UHFFFAOYSA-N 2 2 330.392 1.096 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000634261272 451256164 /nfs/dbraw/zinc/25/61/64/451256164.db2.gz ZWYGBXMMWHRAPN-WBVHZDCISA-N 2 2 331.464 1.612 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC000635813364 451261629 /nfs/dbraw/zinc/26/16/29/451261629.db2.gz ZVZBHSMHMAGFDD-GOSISDBHSA-N 2 2 346.519 1.303 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635813364 451261637 /nfs/dbraw/zinc/26/16/37/451261637.db2.gz ZVZBHSMHMAGFDD-GOSISDBHSA-N 2 2 346.519 1.303 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC000635813364 451261647 /nfs/dbraw/zinc/26/16/47/451261647.db2.gz ZVZBHSMHMAGFDD-GOSISDBHSA-N 2 2 346.519 1.303 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635813364 451261651 /nfs/dbraw/zinc/26/16/51/451261651.db2.gz ZVZBHSMHMAGFDD-GOSISDBHSA-N 2 2 346.519 1.303 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000638098073 451262851 /nfs/dbraw/zinc/26/28/51/451262851.db2.gz ZAIMGEUZUNKJHZ-KRWDZBQOSA-N 2 2 342.443 1.969 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)CCC2C[NH2+]C2)c2cccs2)CC1 ZINC000638135168 451308937 /nfs/dbraw/zinc/30/89/37/451308937.db2.gz RDECBUNWWSQGCO-OAHLLOKOSA-N 2 2 336.505 1.152 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638172320 451335150 /nfs/dbraw/zinc/33/51/50/451335150.db2.gz ZCQSDEGVPKFINK-LJQANCHMSA-N 2 2 340.471 1.433 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000638216517 451361000 /nfs/dbraw/zinc/36/10/00/451361000.db2.gz YKMIKNNTKLLKKA-LJQANCHMSA-N 2 2 338.455 1.729 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000638216517 451361008 /nfs/dbraw/zinc/36/10/08/451361008.db2.gz YKMIKNNTKLLKKA-LJQANCHMSA-N 2 2 338.455 1.729 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000628666082 451362483 /nfs/dbraw/zinc/36/24/83/451362483.db2.gz BSGHWTQQUFWUKV-FUHWJXTLSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000628666082 451362486 /nfs/dbraw/zinc/36/24/86/451362486.db2.gz BSGHWTQQUFWUKV-FUHWJXTLSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000628666082 451362490 /nfs/dbraw/zinc/36/24/90/451362490.db2.gz BSGHWTQQUFWUKV-FUHWJXTLSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000628666082 451362493 /nfs/dbraw/zinc/36/24/93/451362493.db2.gz BSGHWTQQUFWUKV-FUHWJXTLSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000628666084 451362710 /nfs/dbraw/zinc/36/27/10/451362710.db2.gz BSGHWTQQUFWUKV-WMZOPIPTSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000628666084 451362716 /nfs/dbraw/zinc/36/27/16/451362716.db2.gz BSGHWTQQUFWUKV-WMZOPIPTSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000628666084 451362724 /nfs/dbraw/zinc/36/27/24/451362724.db2.gz BSGHWTQQUFWUKV-WMZOPIPTSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000628666084 451362730 /nfs/dbraw/zinc/36/27/30/451362730.db2.gz BSGHWTQQUFWUKV-WMZOPIPTSA-N 2 2 331.460 1.870 20 0 EDADLP CC1(C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000640517020 451368084 /nfs/dbraw/zinc/36/80/84/451368084.db2.gz XMGXQUDTIVGKLB-KFWWJZLASA-N 2 2 332.448 1.061 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@H+](C)C3(CCCCC3)C2)CC1 ZINC000632534093 451378547 /nfs/dbraw/zinc/37/85/47/451378547.db2.gz MPCONSSJKQMLML-UHFFFAOYSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)CC1 ZINC000632534093 451378551 /nfs/dbraw/zinc/37/85/51/451378551.db2.gz MPCONSSJKQMLML-UHFFFAOYSA-N 2 2 329.510 1.361 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)[C@]12CCCO2 ZINC000638280073 451397864 /nfs/dbraw/zinc/39/78/64/451397864.db2.gz ZRCNQHJJUWVDPG-WNRNVDISSA-N 2 2 326.481 1.659 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)[C@]12CCCO2 ZINC000638280073 451397869 /nfs/dbraw/zinc/39/78/69/451397869.db2.gz ZRCNQHJJUWVDPG-WNRNVDISSA-N 2 2 326.481 1.659 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000628753830 451399029 /nfs/dbraw/zinc/39/90/29/451399029.db2.gz ZZJQRZUTVDJDON-SJLPKXTDSA-N 2 2 339.524 1.972 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000628753830 451399030 /nfs/dbraw/zinc/39/90/30/451399030.db2.gz ZZJQRZUTVDJDON-SJLPKXTDSA-N 2 2 339.524 1.972 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)[nH+]1 ZINC000635970483 451405802 /nfs/dbraw/zinc/40/58/02/451405802.db2.gz FVNWZPLIECYOIT-XYPWUTKMSA-N 2 2 334.464 1.615 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)[nH+]1 ZINC000635970483 451405807 /nfs/dbraw/zinc/40/58/07/451405807.db2.gz FVNWZPLIECYOIT-XYPWUTKMSA-N 2 2 334.464 1.615 20 0 EDADLP O=C(N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000628773693 451409447 /nfs/dbraw/zinc/40/94/47/451409447.db2.gz MOZIEOJNTTWBKE-HZPDHXFCSA-N 2 2 343.406 1.144 20 0 EDADLP O=C(N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000628773693 451409453 /nfs/dbraw/zinc/40/94/53/451409453.db2.gz MOZIEOJNTTWBKE-HZPDHXFCSA-N 2 2 343.406 1.144 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638296354 451411922 /nfs/dbraw/zinc/41/19/22/451411922.db2.gz MYVVJGRASIADSE-WMLDXEAASA-N 2 2 337.489 1.709 20 0 EDADLP Cc1cc(NCCNC(=O)CC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000628825537 451433556 /nfs/dbraw/zinc/43/35/56/451433556.db2.gz CMPYDRWWYUSJMZ-UHFFFAOYSA-N 2 2 333.480 2.168 20 0 EDADLP CC(C)C[C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)n1cc[nH+]c1 ZINC000638331688 451438568 /nfs/dbraw/zinc/43/85/68/451438568.db2.gz KCVKJABWZNNRSK-ABHNRTSZSA-N 2 2 347.507 1.803 20 0 EDADLP CC(C)C[C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)n1cc[nH+]c1 ZINC000638331688 451438570 /nfs/dbraw/zinc/43/85/70/451438570.db2.gz KCVKJABWZNNRSK-ABHNRTSZSA-N 2 2 347.507 1.803 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccnc(C[NH+](C)C)c2)C1 ZINC000640605137 451451609 /nfs/dbraw/zinc/45/16/09/451451609.db2.gz RENOLYFEUCTAHA-KRWDZBQOSA-N 2 2 349.479 1.622 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccnc(C[NH+](C)C)c2)C1 ZINC000640605137 451451617 /nfs/dbraw/zinc/45/16/17/451451617.db2.gz RENOLYFEUCTAHA-KRWDZBQOSA-N 2 2 349.479 1.622 20 0 EDADLP O[C@H](C[NH2+]C1CC(n2cccn2)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000638354569 451455531 /nfs/dbraw/zinc/45/55/31/451455531.db2.gz QFWIYSVGOCNMAL-CTWPCTMYSA-N 2 2 326.444 1.595 20 0 EDADLP O[C@H](C[NH2+]C1CC(n2cccn2)C1)C[N@H+]1CCc2ccccc2C1 ZINC000638354569 451455539 /nfs/dbraw/zinc/45/55/39/451455539.db2.gz QFWIYSVGOCNMAL-CTWPCTMYSA-N 2 2 326.444 1.595 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634699808 451472374 /nfs/dbraw/zinc/47/23/74/451472374.db2.gz PIBYYGMXNSQXKA-MRXNPFEDSA-N 2 2 347.459 1.617 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000628917924 451480743 /nfs/dbraw/zinc/48/07/43/451480743.db2.gz CEIXECMYVARDFQ-MOPGFXCFSA-N 2 2 345.487 1.388 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000628917924 451480746 /nfs/dbraw/zinc/48/07/46/451480746.db2.gz CEIXECMYVARDFQ-MOPGFXCFSA-N 2 2 345.487 1.388 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000628917924 451480749 /nfs/dbraw/zinc/48/07/49/451480749.db2.gz CEIXECMYVARDFQ-MOPGFXCFSA-N 2 2 345.487 1.388 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000628917924 451480751 /nfs/dbraw/zinc/48/07/51/451480751.db2.gz CEIXECMYVARDFQ-MOPGFXCFSA-N 2 2 345.487 1.388 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000640599267 451444301 /nfs/dbraw/zinc/44/43/01/451444301.db2.gz ZLUULQUSNMFYNF-INIZCTEOSA-N 2 2 347.463 1.866 20 0 EDADLP OC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721402 451501571 /nfs/dbraw/zinc/50/15/71/451501571.db2.gz YEUCSXFGUUBDMJ-WOJBJXKFSA-N 2 2 326.440 1.947 20 0 EDADLP OC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721402 451501572 /nfs/dbraw/zinc/50/15/72/451501572.db2.gz YEUCSXFGUUBDMJ-WOJBJXKFSA-N 2 2 326.440 1.947 20 0 EDADLP CC(C)(O)C[NH+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630946351 451504286 /nfs/dbraw/zinc/50/42/86/451504286.db2.gz TWKVUPCKQVRFCK-UHFFFAOYSA-N 2 2 342.443 1.330 20 0 EDADLP OCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(F)c1 ZINC000634724819 451506208 /nfs/dbraw/zinc/50/62/08/451506208.db2.gz YFCIOMYXABGBGT-CZUORRHYSA-N 2 2 330.831 1.949 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638425294 451508329 /nfs/dbraw/zinc/50/83/29/451508329.db2.gz FBMNFQILJOFIPT-HNNXBMFYSA-N 3 2 334.464 1.287 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638425294 451508333 /nfs/dbraw/zinc/50/83/33/451508333.db2.gz FBMNFQILJOFIPT-HNNXBMFYSA-N 3 2 334.464 1.287 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638425294 451508336 /nfs/dbraw/zinc/50/83/36/451508336.db2.gz FBMNFQILJOFIPT-HNNXBMFYSA-N 2 2 334.464 1.287 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1(C)C ZINC000636090622 451509333 /nfs/dbraw/zinc/50/93/33/451509333.db2.gz LTAPLUXZFYWGLX-QZTJIDSGSA-N 2 2 345.487 1.977 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1OC ZINC000634733623 451512777 /nfs/dbraw/zinc/51/27/77/451512777.db2.gz KASCIFPFNNJRAN-BEFAXECRSA-N 2 2 347.459 1.442 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@H](C(F)F)CC2)CC1 ZINC000634751962 451527134 /nfs/dbraw/zinc/52/71/34/451527134.db2.gz AZXRMGGTXQCUOP-AWEZNQCLSA-N 2 2 333.423 1.331 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@H](C(F)F)CC2)CC1 ZINC000634751962 451527137 /nfs/dbraw/zinc/52/71/37/451527137.db2.gz AZXRMGGTXQCUOP-AWEZNQCLSA-N 2 2 333.423 1.331 20 0 EDADLP Cc1cc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)nc(C2CC2)[nH+]1 ZINC000634808447 451563918 /nfs/dbraw/zinc/56/39/18/451563918.db2.gz TWHQLFXOBUXKTM-UHFFFAOYSA-N 2 2 339.447 1.741 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000638556937 451574927 /nfs/dbraw/zinc/57/49/27/451574927.db2.gz NKEQWRJKNLTLIQ-UHFFFAOYSA-N 3 2 339.524 1.456 20 0 EDADLP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636230939 451606749 /nfs/dbraw/zinc/60/67/49/451606749.db2.gz SLGVEKZXMLBUQB-RBSFLKMASA-N 2 2 332.448 1.615 20 0 EDADLP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636230939 451606750 /nfs/dbraw/zinc/60/67/50/451606750.db2.gz SLGVEKZXMLBUQB-RBSFLKMASA-N 2 2 332.448 1.615 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)cc2[nH+]1 ZINC000636233115 451607453 /nfs/dbraw/zinc/60/74/53/451607453.db2.gz UKHYYUJNHBIIEW-INIZCTEOSA-N 2 2 330.432 1.826 20 0 EDADLP Cc1nc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)nc(N)[nH+]1 ZINC000631160146 451616441 /nfs/dbraw/zinc/61/64/41/451616441.db2.gz CAFLFFULHDQNPY-UHFFFAOYSA-N 2 2 346.410 1.857 20 0 EDADLP Cc1nc(N)nc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)[nH+]1 ZINC000631160146 451616444 /nfs/dbraw/zinc/61/64/44/451616444.db2.gz CAFLFFULHDQNPY-UHFFFAOYSA-N 2 2 346.410 1.857 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638747150 451673467 /nfs/dbraw/zinc/67/34/67/451673467.db2.gz BCKOJNQYDSNFEX-HZPDHXFCSA-N 2 2 333.432 1.320 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638780267 451688452 /nfs/dbraw/zinc/68/84/52/451688452.db2.gz PDCCPRDVHBKFDA-GRDNDAEWSA-N 2 2 334.439 1.203 20 0 EDADLP CO[C@H](CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)[C@H]1CCOC1 ZINC000638790080 451692762 /nfs/dbraw/zinc/69/27/62/451692762.db2.gz OYCPGEWRYPCUFD-BHYGNILZSA-N 2 2 334.464 1.685 20 0 EDADLP CCc1ccc([C@@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000636473354 451726771 /nfs/dbraw/zinc/72/67/71/451726771.db2.gz YCOOGCALIDTMMW-ZWKOTPCHSA-N 2 2 348.491 1.482 20 0 EDADLP CCc1ccc([C@@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)[NH+](C)C)cc1 ZINC000636473354 451726775 /nfs/dbraw/zinc/72/67/75/451726775.db2.gz YCOOGCALIDTMMW-ZWKOTPCHSA-N 2 2 348.491 1.482 20 0 EDADLP CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCCCCC1 ZINC000636502970 451740020 /nfs/dbraw/zinc/74/00/20/451740020.db2.gz ZQLGBUARASEJPT-OAHLLOKOSA-N 2 2 349.479 1.385 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccnn1CC1CCC1 ZINC000638984644 451745776 /nfs/dbraw/zinc/74/57/76/451745776.db2.gz YIRXKZVSTHRGKQ-UHFFFAOYSA-N 2 2 340.431 1.740 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004355 451751125 /nfs/dbraw/zinc/75/11/25/451751125.db2.gz NWVMRGPXJYIXFY-NJAFHUGGSA-N 2 2 343.475 1.084 20 0 EDADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ncnn3C)[nH+]c12 ZINC000639062846 451760540 /nfs/dbraw/zinc/76/05/40/451760540.db2.gz UXYRPPFACIEVRB-UHFFFAOYSA-N 2 2 349.236 1.866 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc2c(cn1)OCCO2 ZINC000639169553 451783612 /nfs/dbraw/zinc/78/36/12/451783612.db2.gz FICJDURFGZFZLS-UHFFFAOYSA-N 2 2 334.464 1.311 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc2c(cn1)OCCO2 ZINC000639169553 451783616 /nfs/dbraw/zinc/78/36/16/451783616.db2.gz FICJDURFGZFZLS-UHFFFAOYSA-N 2 2 334.464 1.311 20 0 EDADLP O[C@]1(Cn2cc(Cn3cc[nH+]c3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641229398 451790543 /nfs/dbraw/zinc/79/05/43/451790543.db2.gz ICVACGOOXBABPQ-GOSISDBHSA-N 2 2 338.415 1.160 20 0 EDADLP O[C@]1(Cn2cc(Cn3cc[nH+]c3)nn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000641229398 451790545 /nfs/dbraw/zinc/79/05/45/451790545.db2.gz ICVACGOOXBABPQ-GOSISDBHSA-N 2 2 338.415 1.160 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000641257682 451796100 /nfs/dbraw/zinc/79/61/00/451796100.db2.gz XQAKHYOJWGAXOD-KRWDZBQOSA-N 2 2 348.472 1.640 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000641257683 451796160 /nfs/dbraw/zinc/79/61/60/451796160.db2.gz XQAKHYOJWGAXOD-QGZVFWFLSA-N 2 2 348.472 1.640 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]cc3F)CC2)CC1 ZINC000641365009 451897848 /nfs/dbraw/zinc/89/78/48/451897848.db2.gz KXJJXYUKGBPTIL-UHFFFAOYSA-N 2 2 334.439 1.991 20 0 EDADLP CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000644650869 451917780 /nfs/dbraw/zinc/91/77/80/451917780.db2.gz CXXIHJPJYMIMSG-KGLIPLIRSA-N 2 2 331.416 1.695 20 0 EDADLP CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000644650869 451917787 /nfs/dbraw/zinc/91/77/87/451917787.db2.gz CXXIHJPJYMIMSG-KGLIPLIRSA-N 2 2 331.416 1.695 20 0 EDADLP Fc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000649253093 451932871 /nfs/dbraw/zinc/93/28/71/451932871.db2.gz IJUZLWDLZOBATK-CADBVGFASA-N 3 2 344.478 1.128 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(C(C)=O)c3)CC2)C1 ZINC000649290280 451966374 /nfs/dbraw/zinc/96/63/74/451966374.db2.gz RMRCCCBXFMPFGJ-FQEVSTJZSA-N 2 2 345.487 1.728 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(C(C)=O)c3)CC2)C1 ZINC000649290280 451966378 /nfs/dbraw/zinc/96/63/78/451966378.db2.gz RMRCCCBXFMPFGJ-FQEVSTJZSA-N 2 2 345.487 1.728 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3OC3CC3)CCO2)CC1 ZINC000649296141 451972634 /nfs/dbraw/zinc/97/26/34/451972634.db2.gz GYAIWPOVRUHRRM-LJQANCHMSA-N 2 2 345.487 1.676 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCO2)CC1 ZINC000649296141 451972641 /nfs/dbraw/zinc/97/26/41/451972641.db2.gz GYAIWPOVRUHRRM-LJQANCHMSA-N 2 2 345.487 1.676 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc2cccnc2c1 ZINC000637626834 451978819 /nfs/dbraw/zinc/97/88/19/451978819.db2.gz HVYHUIBAGDCOLH-UHFFFAOYSA-N 2 2 343.475 1.918 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc2cccnc2c1 ZINC000637626834 451978823 /nfs/dbraw/zinc/97/88/23/451978823.db2.gz HVYHUIBAGDCOLH-UHFFFAOYSA-N 2 2 343.475 1.918 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000649306532 451983754 /nfs/dbraw/zinc/98/37/54/451983754.db2.gz XLEFPRRVWAICCE-UHFFFAOYSA-N 2 2 339.443 1.094 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000649307963 451985163 /nfs/dbraw/zinc/98/51/63/451985163.db2.gz ZWCSBRQQZBGWOP-LJQANCHMSA-N 2 2 330.476 1.048 20 0 EDADLP C[NH+](C)C1(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CCC1 ZINC000641446423 451986142 /nfs/dbraw/zinc/98/61/42/451986142.db2.gz HUDVGTJVVPARRR-UHFFFAOYSA-N 2 2 337.489 1.437 20 0 EDADLP C[NH+](C)C1(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CCC1 ZINC000641446423 451986146 /nfs/dbraw/zinc/98/61/46/451986146.db2.gz HUDVGTJVVPARRR-UHFFFAOYSA-N 2 2 337.489 1.437 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000649341760 452023494 /nfs/dbraw/zinc/02/34/94/452023494.db2.gz VUYSDWGZKKSFEY-XJKSGUPXSA-N 2 2 337.851 1.521 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)c3nccc(N)n3)CC2)CC1 ZINC000653594480 452031112 /nfs/dbraw/zinc/03/11/12/452031112.db2.gz VJUJROILNDYUNE-HNNXBMFYSA-N 2 2 332.496 1.441 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000649356218 452039500 /nfs/dbraw/zinc/03/95/00/452039500.db2.gz FSRLBQQKDFXHPO-INIZCTEOSA-N 2 2 335.411 1.981 20 0 EDADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)COCC[NH3+] ZINC000649379120 452052107 /nfs/dbraw/zinc/05/21/07/452052107.db2.gz MHMIUSKCUIIMGJ-MAUKXSAKSA-N 2 2 348.491 1.424 20 0 EDADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)COCC[NH3+] ZINC000649379120 452052110 /nfs/dbraw/zinc/05/21/10/452052110.db2.gz MHMIUSKCUIIMGJ-MAUKXSAKSA-N 2 2 348.491 1.424 20 0 EDADLP CC(C)c1n[nH]c(CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000639716296 452057501 /nfs/dbraw/zinc/05/75/01/452057501.db2.gz JZPKPIQFDLWFCH-INIZCTEOSA-N 2 2 337.512 1.884 20 0 EDADLP CC(C)c1n[nH]c(CC2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000639716296 452057504 /nfs/dbraw/zinc/05/75/04/452057504.db2.gz JZPKPIQFDLWFCH-INIZCTEOSA-N 2 2 337.512 1.884 20 0 EDADLP CC(C)c1nnc(CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)[nH]1 ZINC000639716296 452057507 /nfs/dbraw/zinc/05/75/07/452057507.db2.gz JZPKPIQFDLWFCH-INIZCTEOSA-N 2 2 337.512 1.884 20 0 EDADLP CC(C)c1nnc(CC2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)[nH]1 ZINC000639716296 452057510 /nfs/dbraw/zinc/05/75/10/452057510.db2.gz JZPKPIQFDLWFCH-INIZCTEOSA-N 2 2 337.512 1.884 20 0 EDADLP CC(C)c1nc(CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)n[nH]1 ZINC000639716296 452057513 /nfs/dbraw/zinc/05/75/13/452057513.db2.gz JZPKPIQFDLWFCH-INIZCTEOSA-N 2 2 337.512 1.884 20 0 EDADLP CC(C)c1nc(CC2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)n[nH]1 ZINC000639716296 452057516 /nfs/dbraw/zinc/05/75/16/452057516.db2.gz JZPKPIQFDLWFCH-INIZCTEOSA-N 2 2 337.512 1.884 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000653722074 452091031 /nfs/dbraw/zinc/09/10/31/452091031.db2.gz ARZZFBBXQUBNPG-JKSUJKDBSA-N 2 2 330.856 1.244 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000653722074 452091033 /nfs/dbraw/zinc/09/10/33/452091033.db2.gz ARZZFBBXQUBNPG-JKSUJKDBSA-N 2 2 330.856 1.244 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000653722074 452091037 /nfs/dbraw/zinc/09/10/37/452091037.db2.gz ARZZFBBXQUBNPG-JKSUJKDBSA-N 2 2 330.856 1.244 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000653722074 452091040 /nfs/dbraw/zinc/09/10/40/452091040.db2.gz ARZZFBBXQUBNPG-JKSUJKDBSA-N 2 2 330.856 1.244 20 0 EDADLP CC(=O)NC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643249973 452095646 /nfs/dbraw/zinc/09/56/46/452095646.db2.gz LSLRNOQTURXDIK-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP CN(C(=O)C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1)C1CCCCC1 ZINC000649508849 452115712 /nfs/dbraw/zinc/11/57/12/452115712.db2.gz HPQHQMHVMBQOKJ-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP CN(C(=O)C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1)C1CCCCC1 ZINC000649508849 452115716 /nfs/dbraw/zinc/11/57/16/452115716.db2.gz HPQHQMHVMBQOKJ-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP CCc1nn(C)cc1CN1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643295917 452121946 /nfs/dbraw/zinc/12/19/46/452121946.db2.gz UJJGTXSBMFGXII-UHFFFAOYSA-N 2 2 333.524 1.975 20 0 EDADLP CCc1nn(C)cc1CN1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000643295917 452121950 /nfs/dbraw/zinc/12/19/50/452121950.db2.gz UJJGTXSBMFGXII-UHFFFAOYSA-N 2 2 333.524 1.975 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651866635 452129993 /nfs/dbraw/zinc/12/99/93/452129993.db2.gz LGAJFMLKCVDOFT-UHFFFAOYSA-N 2 2 337.512 1.633 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866635 452130000 /nfs/dbraw/zinc/13/00/00/452130000.db2.gz LGAJFMLKCVDOFT-UHFFFAOYSA-N 2 2 337.512 1.633 20 0 EDADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000651890912 452147896 /nfs/dbraw/zinc/14/78/96/452147896.db2.gz XYWMVNJAZUCWAD-UHFFFAOYSA-N 2 2 341.459 1.591 20 0 EDADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000651890912 452147901 /nfs/dbraw/zinc/14/79/01/452147901.db2.gz XYWMVNJAZUCWAD-UHFFFAOYSA-N 2 2 341.459 1.591 20 0 EDADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000637930791 452178493 /nfs/dbraw/zinc/17/84/93/452178493.db2.gz VCKIINWRODYYQU-GFCCVEGCSA-N 2 2 329.441 1.247 20 0 EDADLP C[N@H+](Cc1ccc(S(N)(=O)=O)cc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000637930791 452178498 /nfs/dbraw/zinc/17/84/98/452178498.db2.gz VCKIINWRODYYQU-GFCCVEGCSA-N 2 2 329.441 1.247 20 0 EDADLP C[NH+](Cc1ccc(S(N)(=O)=O)cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000637930791 452178502 /nfs/dbraw/zinc/17/85/02/452178502.db2.gz VCKIINWRODYYQU-GFCCVEGCSA-N 2 2 329.441 1.247 20 0 EDADLP C[NH+](Cc1ccc(S(N)(=O)=O)cc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930791 452178507 /nfs/dbraw/zinc/17/85/07/452178507.db2.gz VCKIINWRODYYQU-GFCCVEGCSA-N 2 2 329.441 1.247 20 0 EDADLP C[C@@H]1SCC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000645205128 452209354 /nfs/dbraw/zinc/20/93/54/452209354.db2.gz MLAZPUSXDJJDQI-BBRMVZONSA-N 2 2 340.537 1.738 20 0 EDADLP CC[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000649732152 452218156 /nfs/dbraw/zinc/21/81/56/452218156.db2.gz SVORUVDLLMVHIV-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000649732152 452218163 /nfs/dbraw/zinc/21/81/63/452218163.db2.gz SVORUVDLLMVHIV-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP CO[C@@]1(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCOC1 ZINC000637983165 452227038 /nfs/dbraw/zinc/22/70/38/452227038.db2.gz LJLAJEOFYKPPLG-LJQANCHMSA-N 2 2 333.476 1.826 20 0 EDADLP CO[C@@]1(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCOC1 ZINC000637983165 452227044 /nfs/dbraw/zinc/22/70/44/452227044.db2.gz LJLAJEOFYKPPLG-LJQANCHMSA-N 2 2 333.476 1.826 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000639904918 452228162 /nfs/dbraw/zinc/22/81/62/452228162.db2.gz JRZXANKPQPVFBU-NXHRZFHOSA-N 2 2 331.460 1.659 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cn21 ZINC000645263700 452243062 /nfs/dbraw/zinc/24/30/62/452243062.db2.gz SXZWSRAFZQEUJJ-OAHLLOKOSA-N 2 2 327.432 1.721 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cn21 ZINC000645263700 452243069 /nfs/dbraw/zinc/24/30/69/452243069.db2.gz SXZWSRAFZQEUJJ-OAHLLOKOSA-N 2 2 327.432 1.721 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1nccn1C ZINC000641784742 452254838 /nfs/dbraw/zinc/25/48/38/452254838.db2.gz FFWQTWXYQCKHEQ-DLBZAZTESA-N 2 2 335.496 1.257 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786223 452260581 /nfs/dbraw/zinc/26/05/81/452260581.db2.gz JMPBNROMUCOQEU-NVXWUHKLSA-N 2 2 335.496 1.176 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)C1 ZINC000665703736 452263848 /nfs/dbraw/zinc/26/38/48/452263848.db2.gz BWGKKCTZCYEOBA-BZUAXINKSA-N 2 2 333.480 1.604 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000641788387 452266010 /nfs/dbraw/zinc/26/60/10/452266010.db2.gz ZJGIXTGYPILPPM-MHORFTMASA-N 2 2 325.497 1.329 20 0 EDADLP CCOc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000641789687 452266549 /nfs/dbraw/zinc/26/65/49/452266549.db2.gz QRTSHLYVWKWDOF-IBGZPJMESA-N 2 2 347.503 1.972 20 0 EDADLP C[C@]1(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC[NH2+]C1 ZINC000647538219 452271053 /nfs/dbraw/zinc/27/10/53/452271053.db2.gz JFQMCNSULWEMRV-IRXDYDNUSA-N 2 2 337.489 1.892 20 0 EDADLP C[C@]1(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC[NH2+]C1 ZINC000647538219 452271060 /nfs/dbraw/zinc/27/10/60/452271060.db2.gz JFQMCNSULWEMRV-IRXDYDNUSA-N 2 2 337.489 1.892 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657479012 452272774 /nfs/dbraw/zinc/27/27/74/452272774.db2.gz HGQAEQXEKYWENL-UHFFFAOYSA-N 2 2 334.445 1.369 20 0 EDADLP COC1([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000665717509 452281687 /nfs/dbraw/zinc/28/16/87/452281687.db2.gz AEQIASXKQUUSBE-HUUCEWRRSA-N 2 2 338.496 1.412 20 0 EDADLP COC1([C@@H](C)NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000665717509 452281693 /nfs/dbraw/zinc/28/16/93/452281693.db2.gz AEQIASXKQUUSBE-HUUCEWRRSA-N 2 2 338.496 1.412 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809878 452291521 /nfs/dbraw/zinc/29/15/21/452291521.db2.gz SZWIJDDIYOAOSY-VYDXJSESSA-N 2 2 333.476 1.802 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809878 452291527 /nfs/dbraw/zinc/29/15/27/452291527.db2.gz SZWIJDDIYOAOSY-VYDXJSESSA-N 2 2 333.476 1.802 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CC2([NH3+])CCC2)cc1 ZINC000645317030 452295139 /nfs/dbraw/zinc/29/51/39/452295139.db2.gz QCGORBIQEVAOLJ-QGZVFWFLSA-N 2 2 331.460 1.756 20 0 EDADLP Cn1c[nH+]c(CCNc2nccnc2NCCc2cn(C)c[nH+]2)c1 ZINC000665729610 452297240 /nfs/dbraw/zinc/29/72/40/452297240.db2.gz PNICMQXGVJPAMB-UHFFFAOYSA-N 2 2 326.408 1.253 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661504513 452306016 /nfs/dbraw/zinc/30/60/16/452306016.db2.gz ONSWGSBSYDBQNP-HNNXBMFYSA-N 2 2 331.464 1.786 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000661504513 452306023 /nfs/dbraw/zinc/30/60/23/452306023.db2.gz ONSWGSBSYDBQNP-HNNXBMFYSA-N 2 2 331.464 1.786 20 0 EDADLP [NH3+]C[C@]1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCOC1 ZINC000638051786 452328474 /nfs/dbraw/zinc/32/84/74/452328474.db2.gz QXAUVMJVFLFJAE-GOSISDBHSA-N 2 2 333.432 1.213 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000652147660 452339435 /nfs/dbraw/zinc/33/94/35/452339435.db2.gz ZYCTUPJTHVMEGV-LSDHHAIUSA-N 2 2 334.464 1.314 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652145848 452339583 /nfs/dbraw/zinc/33/95/83/452339583.db2.gz AIPCCAKERZTKBE-UHFFFAOYSA-N 2 2 338.427 1.194 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652145848 452339587 /nfs/dbraw/zinc/33/95/87/452339587.db2.gz AIPCCAKERZTKBE-UHFFFAOYSA-N 2 2 338.427 1.194 20 0 EDADLP C[C@@]1(NC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC[NH2+]C1 ZINC000663611653 452341569 /nfs/dbraw/zinc/34/15/69/452341569.db2.gz BWKOCGBTXMMEGS-GOSISDBHSA-N 2 2 340.383 1.681 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652151043 452344572 /nfs/dbraw/zinc/34/45/72/452344572.db2.gz HHJRVJYXIZAQQS-ZIAGYGMSSA-N 2 2 326.437 1.676 20 0 EDADLP Cc1ncc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000640021482 452358324 /nfs/dbraw/zinc/35/83/24/452358324.db2.gz FLXQRVOACVAZGL-XYPWUTKMSA-N 2 2 332.448 1.295 20 0 EDADLP Cc1ncc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000640021482 452358334 /nfs/dbraw/zinc/35/83/34/452358334.db2.gz FLXQRVOACVAZGL-XYPWUTKMSA-N 2 2 332.448 1.295 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657596382 452366642 /nfs/dbraw/zinc/36/66/42/452366642.db2.gz MRCODKVNYFHICV-LJQANCHMSA-N 2 2 341.459 1.860 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657596382 452366653 /nfs/dbraw/zinc/36/66/53/452366653.db2.gz MRCODKVNYFHICV-LJQANCHMSA-N 2 2 341.459 1.860 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000655551739 452370314 /nfs/dbraw/zinc/37/03/14/452370314.db2.gz FKEJTVOPHWZSOD-ZMSDIMECSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000655551739 452370322 /nfs/dbraw/zinc/37/03/22/452370322.db2.gz FKEJTVOPHWZSOD-ZMSDIMECSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H](C)O1 ZINC000665790168 452370591 /nfs/dbraw/zinc/37/05/91/452370591.db2.gz WKCCJOFEPFIFAJ-KBUPBQIOSA-N 2 2 334.464 1.528 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000638072638 452380380 /nfs/dbraw/zinc/38/03/80/452380380.db2.gz UFRRXJIKHGNZNE-KRWDZBQOSA-N 2 2 342.443 1.457 20 0 EDADLP C[N@H+](CCn1cccn1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638073631 452383959 /nfs/dbraw/zinc/38/39/59/452383959.db2.gz ODMKFKGYENBRNK-UHFFFAOYSA-N 2 2 344.459 1.726 20 0 EDADLP C[N@@H+](CCn1cccn1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638073631 452383963 /nfs/dbraw/zinc/38/39/63/452383963.db2.gz ODMKFKGYENBRNK-UHFFFAOYSA-N 2 2 344.459 1.726 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc2c1OCCO2 ZINC000665811209 452387672 /nfs/dbraw/zinc/38/76/72/452387672.db2.gz MNCHSYZGMRHEBH-UHFFFAOYSA-N 2 2 336.436 1.463 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc2c1OCCO2 ZINC000665811209 452387675 /nfs/dbraw/zinc/38/76/75/452387675.db2.gz MNCHSYZGMRHEBH-UHFFFAOYSA-N 2 2 336.436 1.463 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CCC2C[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000638077827 452392609 /nfs/dbraw/zinc/39/26/09/452392609.db2.gz WSQMTNRIEWHUBD-GOSISDBHSA-N 2 2 331.460 1.484 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659553669 452409766 /nfs/dbraw/zinc/40/97/66/452409766.db2.gz ALRRQKVRMMITDV-LZLYRXPVSA-N 2 2 347.507 1.228 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659553669 452409776 /nfs/dbraw/zinc/40/97/76/452409776.db2.gz ALRRQKVRMMITDV-LZLYRXPVSA-N 2 2 347.507 1.228 20 0 EDADLP C[C@@H](COc1c(F)cccc1F)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659597683 452453730 /nfs/dbraw/zinc/45/37/30/452453730.db2.gz YHXVOJVHRPETEG-RYUDHWBXSA-N 2 2 342.390 1.016 20 0 EDADLP C[C@@H](COc1c(F)cccc1F)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659597683 452453735 /nfs/dbraw/zinc/45/37/35/452453735.db2.gz YHXVOJVHRPETEG-RYUDHWBXSA-N 2 2 342.390 1.016 20 0 EDADLP O=C(NCC12CC(C1)C[NH2+]2)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000659617138 452475377 /nfs/dbraw/zinc/47/53/77/452475377.db2.gz MTEFYAUVAVVWEV-DAXSKMNVSA-N 2 2 340.471 1.779 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000657752206 452501651 /nfs/dbraw/zinc/50/16/51/452501651.db2.gz NJEFDXHJQPATLC-SFHVURJKSA-N 2 2 348.491 1.507 20 0 EDADLP C[C@H](Cc1ccccn1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654445474 452507778 /nfs/dbraw/zinc/50/77/78/452507778.db2.gz SFDMBJGAXNNRRX-NVXWUHKLSA-N 2 2 345.491 1.480 20 0 EDADLP C[C@H](Cc1ccccn1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654445474 452507789 /nfs/dbraw/zinc/50/77/89/452507789.db2.gz SFDMBJGAXNNRRX-NVXWUHKLSA-N 2 2 345.491 1.480 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663787992 452518129 /nfs/dbraw/zinc/51/81/29/452518129.db2.gz NCUMQFFQWLVCHA-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663787992 452518132 /nfs/dbraw/zinc/51/81/32/452518132.db2.gz NCUMQFFQWLVCHA-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663787992 452518140 /nfs/dbraw/zinc/51/81/40/452518140.db2.gz NCUMQFFQWLVCHA-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663787992 452518147 /nfs/dbraw/zinc/51/81/47/452518147.db2.gz NCUMQFFQWLVCHA-ARFHVFGLSA-N 2 2 326.485 1.127 20 0 EDADLP COCCC[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655707748 452526825 /nfs/dbraw/zinc/52/68/25/452526825.db2.gz CAORRWJLTNOYNW-SFHVURJKSA-N 3 2 325.497 1.330 20 0 EDADLP COCCC[NH+]1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655709251 452526914 /nfs/dbraw/zinc/52/69/14/452526914.db2.gz ZYYCSBZUMNPFJS-IBGZPJMESA-N 3 2 339.524 1.720 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000652356791 452533933 /nfs/dbraw/zinc/53/39/33/452533933.db2.gz HYRNXLAYVBDIDH-QZTJIDSGSA-N 2 2 349.475 1.135 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000652356791 452533943 /nfs/dbraw/zinc/53/39/43/452533943.db2.gz HYRNXLAYVBDIDH-QZTJIDSGSA-N 2 2 349.475 1.135 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657802331 452540171 /nfs/dbraw/zinc/54/01/71/452540171.db2.gz YOIIYZWUWHELAT-IBGZPJMESA-N 2 2 340.471 1.996 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657802331 452540175 /nfs/dbraw/zinc/54/01/75/452540175.db2.gz YOIIYZWUWHELAT-IBGZPJMESA-N 2 2 340.471 1.996 20 0 EDADLP COc1ccccc1[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655729228 452541024 /nfs/dbraw/zinc/54/10/24/452541024.db2.gz DWAAEEQNKUSOOK-WMZOPIPTSA-N 2 2 334.460 1.962 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814766 452546324 /nfs/dbraw/zinc/54/63/24/452546324.db2.gz DYVAFVZIPIRFJK-UHFFFAOYSA-N 2 2 349.450 1.879 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814766 452546334 /nfs/dbraw/zinc/54/63/34/452546334.db2.gz DYVAFVZIPIRFJK-UHFFFAOYSA-N 2 2 349.450 1.879 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655734035 452546899 /nfs/dbraw/zinc/54/68/99/452546899.db2.gz XVNDQRJEJNCDRQ-GBESFXJTSA-N 3 2 337.508 1.207 20 0 EDADLP CC(C)(C)n1ncc2c1nc(N[C@H]1CCn3cc[nH+]c3C1)[nH+]c2N ZINC000663821039 452547507 /nfs/dbraw/zinc/54/75/07/452547507.db2.gz UJASIGSEQDPHMV-JTQLQIEISA-N 2 2 326.408 1.787 20 0 EDADLP COc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000655735292 452547980 /nfs/dbraw/zinc/54/79/80/452547980.db2.gz GHYWHKYMIKNELU-DLBZAZTESA-N 2 2 332.444 1.842 20 0 EDADLP COC1([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000657834225 452556489 /nfs/dbraw/zinc/55/64/89/452556489.db2.gz ZDIUUQLYIHHGLX-MRXNPFEDSA-N 2 2 333.480 1.536 20 0 EDADLP Cc1cc(-c2noc(C[N@H+](C)CCN3CC[NH2+]CC3)n2)ccc1F ZINC000647836194 452573167 /nfs/dbraw/zinc/57/31/67/452573167.db2.gz LFOAHXALFTXMGR-UHFFFAOYSA-N 2 2 333.411 1.521 20 0 EDADLP Cc1cc(-c2noc(C[N@@H+](C)CCN3CC[NH2+]CC3)n2)ccc1F ZINC000647836194 452573174 /nfs/dbraw/zinc/57/31/74/452573174.db2.gz LFOAHXALFTXMGR-UHFFFAOYSA-N 2 2 333.411 1.521 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)CCC[NH3+])cc1OC ZINC000647848971 452581910 /nfs/dbraw/zinc/58/19/10/452581910.db2.gz BXFOTZDNBWZPDY-HNNXBMFYSA-N 2 2 335.448 1.648 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)CCC[NH3+])cc1OC ZINC000647848971 452581916 /nfs/dbraw/zinc/58/19/16/452581916.db2.gz BXFOTZDNBWZPDY-HNNXBMFYSA-N 2 2 335.448 1.648 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000647849335 452583183 /nfs/dbraw/zinc/58/31/83/452583183.db2.gz PMERIGYPQJIIBV-UHFFFAOYSA-N 2 2 336.180 1.946 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1c(F)cc(F)cc1Br ZINC000647849335 452583189 /nfs/dbraw/zinc/58/31/89/452583189.db2.gz PMERIGYPQJIIBV-UHFFFAOYSA-N 2 2 336.180 1.946 20 0 EDADLP CN(C)C(=O)C[C@@]1(O)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000643755887 452586153 /nfs/dbraw/zinc/58/61/53/452586153.db2.gz GKXWFVMBPDQLEG-IBGZPJMESA-N 2 2 342.443 1.678 20 0 EDADLP CN(C)C(=O)C[C@@]1(O)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000643755887 452586163 /nfs/dbraw/zinc/58/61/63/452586163.db2.gz GKXWFVMBPDQLEG-IBGZPJMESA-N 2 2 342.443 1.678 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647900402 452641294 /nfs/dbraw/zinc/64/12/94/452641294.db2.gz APMMXZPLCSUFFL-MJGOQNOKSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647900402 452641303 /nfs/dbraw/zinc/64/13/03/452641303.db2.gz APMMXZPLCSUFFL-MJGOQNOKSA-N 2 2 345.487 1.954 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000652451036 452641965 /nfs/dbraw/zinc/64/19/65/452641965.db2.gz PFIXCGWMMCHEOD-UHFFFAOYSA-N 2 2 347.463 1.060 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000652451036 452641974 /nfs/dbraw/zinc/64/19/74/452641974.db2.gz PFIXCGWMMCHEOD-UHFFFAOYSA-N 2 2 347.463 1.060 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901650 452642634 /nfs/dbraw/zinc/64/26/34/452642634.db2.gz SGKUMDXOAFHEPK-RTBURBONSA-N 2 2 345.487 1.913 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901650 452642644 /nfs/dbraw/zinc/64/26/44/452642644.db2.gz SGKUMDXOAFHEPK-RTBURBONSA-N 2 2 345.487 1.913 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCOc1cccc(F)c1 ZINC000647901652 452643105 /nfs/dbraw/zinc/64/31/05/452643105.db2.gz SHJKOWCRDYXDLA-MAUKXSAKSA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCOc1cccc(F)c1 ZINC000647901652 452643116 /nfs/dbraw/zinc/64/31/16/452643116.db2.gz SHJKOWCRDYXDLA-MAUKXSAKSA-N 2 2 349.450 1.785 20 0 EDADLP COc1ncc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)s1 ZINC000647912398 452652403 /nfs/dbraw/zinc/65/24/03/452652403.db2.gz GUJTUHGBMQFQHZ-RYUDHWBXSA-N 2 2 339.440 1.587 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC[C@H]1[NH3+] ZINC000647940437 452682336 /nfs/dbraw/zinc/68/23/36/452682336.db2.gz YVGUXCSGCMIWHZ-LSDHHAIUSA-N 2 2 335.448 1.379 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC[C@H]1[NH3+] ZINC000647940437 452682343 /nfs/dbraw/zinc/68/23/43/452682343.db2.gz YVGUXCSGCMIWHZ-LSDHHAIUSA-N 2 2 335.448 1.379 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCO[C@@H]1CC1(F)F ZINC000666212644 452689387 /nfs/dbraw/zinc/68/93/87/452689387.db2.gz KJPNYAOOPXQIAH-CQSZACIVSA-N 2 2 348.438 1.078 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCO[C@@H]1CC1(F)F ZINC000666212644 452689396 /nfs/dbraw/zinc/68/93/96/452689396.db2.gz KJPNYAOOPXQIAH-CQSZACIVSA-N 2 2 348.438 1.078 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2[nH+]1 ZINC000658022144 452692320 /nfs/dbraw/zinc/69/23/20/452692320.db2.gz TYPRJWZDCZAYCR-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@H+]3C)cc2[nH+]1 ZINC000658022144 452692327 /nfs/dbraw/zinc/69/23/27/452692327.db2.gz TYPRJWZDCZAYCR-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655926752 452692621 /nfs/dbraw/zinc/69/26/21/452692621.db2.gz FVUBSLXAYUJADA-LBPRGKRZSA-N 2 2 331.342 1.111 20 0 EDADLP C[C@H](CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[N@H+](C)C1CC1 ZINC000664000150 452702278 /nfs/dbraw/zinc/70/22/78/452702278.db2.gz VWRRPXOTSPZCBR-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[N@@H+](C)C1CC1 ZINC000664000150 452702283 /nfs/dbraw/zinc/70/22/83/452702283.db2.gz VWRRPXOTSPZCBR-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1cc(N2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000647957898 452702797 /nfs/dbraw/zinc/70/27/97/452702797.db2.gz SOYPVDOLIRFVCZ-KRWDZBQOSA-N 2 2 349.523 1.732 20 0 EDADLP Cc1cc(N2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000647957898 452702805 /nfs/dbraw/zinc/70/28/05/452702805.db2.gz SOYPVDOLIRFVCZ-KRWDZBQOSA-N 2 2 349.523 1.732 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831069 452719480 /nfs/dbraw/zinc/71/94/80/452719480.db2.gz NIWOSMHPXGQHKU-ZFWWWQNUSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831069 452719484 /nfs/dbraw/zinc/71/94/84/452719484.db2.gz NIWOSMHPXGQHKU-ZFWWWQNUSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831069 452719487 /nfs/dbraw/zinc/71/94/87/452719487.db2.gz NIWOSMHPXGQHKU-ZFWWWQNUSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831069 452719489 /nfs/dbraw/zinc/71/94/89/452719489.db2.gz NIWOSMHPXGQHKU-ZFWWWQNUSA-N 2 2 343.493 1.028 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649525 452741120 /nfs/dbraw/zinc/74/11/20/452741120.db2.gz HELMHCSIEVCVJP-LVQVYYBASA-N 2 2 349.479 1.796 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649525 452741131 /nfs/dbraw/zinc/74/11/31/452741131.db2.gz HELMHCSIEVCVJP-LVQVYYBASA-N 2 2 349.479 1.796 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)[C@H](C[NH3+])C1 ZINC000655976456 452759361 /nfs/dbraw/zinc/75/93/61/452759361.db2.gz YEMVVCFNQVRPMO-CVEARBPZSA-N 2 2 343.431 1.243 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)[C@H](C[NH3+])C1 ZINC000655976456 452759367 /nfs/dbraw/zinc/75/93/67/452759367.db2.gz YEMVVCFNQVRPMO-CVEARBPZSA-N 2 2 343.431 1.243 20 0 EDADLP COCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000654691653 452814711 /nfs/dbraw/zinc/81/47/11/452814711.db2.gz SRRFWWZNUZFTDK-MRXNPFEDSA-N 2 2 338.496 1.223 20 0 EDADLP COCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000654691653 452814722 /nfs/dbraw/zinc/81/47/22/452814722.db2.gz SRRFWWZNUZFTDK-MRXNPFEDSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(F)c1 ZINC000658332943 452851400 /nfs/dbraw/zinc/85/14/00/452851400.db2.gz JHQXRECKMQJTEB-ZDUSSCGKSA-N 2 2 338.427 1.152 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(F)c1 ZINC000658332943 452851409 /nfs/dbraw/zinc/85/14/09/452851409.db2.gz JHQXRECKMQJTEB-ZDUSSCGKSA-N 2 2 338.427 1.152 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NCCC[N@@H+]1CCc2ccccc2C1 ZINC000656108293 452867342 /nfs/dbraw/zinc/86/73/42/452867342.db2.gz YPOVVCGBCFNKQI-UHFFFAOYSA-N 2 2 337.431 1.806 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NCCC[N@H+]1CCc2ccccc2C1 ZINC000656108293 452867350 /nfs/dbraw/zinc/86/73/50/452867350.db2.gz YPOVVCGBCFNKQI-UHFFFAOYSA-N 2 2 337.431 1.806 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648172817 452885014 /nfs/dbraw/zinc/88/50/14/452885014.db2.gz YKIKNHCEEQJPEQ-GADBESIXSA-N 2 2 337.464 1.869 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648172817 452885022 /nfs/dbraw/zinc/88/50/22/452885022.db2.gz YKIKNHCEEQJPEQ-GADBESIXSA-N 2 2 337.464 1.869 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+]1CCOCC1 ZINC000654788806 452922545 /nfs/dbraw/zinc/92/25/45/452922545.db2.gz UNBUTAFBZILSNU-BZSNNMDCSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCOCC1 ZINC000654788806 452922556 /nfs/dbraw/zinc/92/25/56/452922556.db2.gz UNBUTAFBZILSNU-BZSNNMDCSA-N 2 2 337.508 1.820 20 0 EDADLP Brc1cnn(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000662256924 452984590 /nfs/dbraw/zinc/98/45/90/452984590.db2.gz ZPNHTPOEDZGKMM-CYBMUJFWSA-N 2 2 329.242 1.271 20 0 EDADLP Cc1ccc(F)c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658426720 452953266 /nfs/dbraw/zinc/95/32/66/452953266.db2.gz IHEYLOJHURZVTP-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1ccc(F)c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658426720 452953271 /nfs/dbraw/zinc/95/32/71/452953271.db2.gz IHEYLOJHURZVTP-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP CC(C)c1cccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658426968 452955196 /nfs/dbraw/zinc/95/51/96/452955196.db2.gz LRJYFLPRCDCJLL-UHFFFAOYSA-N 2 2 348.491 1.748 20 0 EDADLP CC(C)c1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658426968 452955201 /nfs/dbraw/zinc/95/52/01/452955201.db2.gz LRJYFLPRCDCJLL-UHFFFAOYSA-N 2 2 348.491 1.748 20 0 EDADLP c1ccc2sc(C[NH+]3CCN(C[C@H]4C[NH2+]CCO4)CC3)nc2c1 ZINC000662259014 452987503 /nfs/dbraw/zinc/98/75/03/452987503.db2.gz ODEBYTKHAPVGGH-CQSZACIVSA-N 2 2 332.473 1.402 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)CC1 ZINC000656261401 452996467 /nfs/dbraw/zinc/99/64/67/452996467.db2.gz JMTYSYQJLBHNAL-UHFFFAOYSA-N 2 2 345.491 1.205 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2nnn(CC(F)(F)F)n2)C1 ZINC000662283674 453007962 /nfs/dbraw/zinc/00/79/62/453007962.db2.gz JDYLJRQPERGPBJ-IJLUTSLNSA-N 2 2 348.373 1.096 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nnn(CC(F)(F)F)n2)C1 ZINC000662283674 453007973 /nfs/dbraw/zinc/00/79/73/453007973.db2.gz JDYLJRQPERGPBJ-IJLUTSLNSA-N 2 2 348.373 1.096 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000662318919 453036611 /nfs/dbraw/zinc/03/66/11/453036611.db2.gz AYLUNXKUJKUXJR-ZWKOTPCHSA-N 2 2 331.460 1.835 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)CCO1 ZINC000662318919 453036616 /nfs/dbraw/zinc/03/66/16/453036616.db2.gz AYLUNXKUJKUXJR-ZWKOTPCHSA-N 2 2 331.460 1.835 20 0 EDADLP Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662320492 453038372 /nfs/dbraw/zinc/03/83/72/453038372.db2.gz UTXLZZUEROODJL-GOSISDBHSA-N 2 2 333.476 1.654 20 0 EDADLP Cc1ccc(CNC(=O)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662320492 453038378 /nfs/dbraw/zinc/03/83/78/453038378.db2.gz UTXLZZUEROODJL-GOSISDBHSA-N 2 2 333.476 1.654 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664405387 453065639 /nfs/dbraw/zinc/06/56/39/453065639.db2.gz IUOHHUMYVRTVTI-YUELXQCFSA-N 2 2 349.479 1.262 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664405387 453065652 /nfs/dbraw/zinc/06/56/52/453065652.db2.gz IUOHHUMYVRTVTI-YUELXQCFSA-N 2 2 349.479 1.262 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000658524797 453078096 /nfs/dbraw/zinc/07/80/96/453078096.db2.gz UAKYJQRSZKVCCK-UONOGXRCSA-N 2 2 347.463 1.452 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000658524797 453078109 /nfs/dbraw/zinc/07/81/09/453078109.db2.gz UAKYJQRSZKVCCK-UONOGXRCSA-N 2 2 347.463 1.452 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000656332042 453083443 /nfs/dbraw/zinc/08/34/43/453083443.db2.gz ZMOYWNNZHILMLT-UHFFFAOYSA-N 2 2 333.461 1.552 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cn1 ZINC000660164841 453096520 /nfs/dbraw/zinc/09/65/20/453096520.db2.gz MKQODYGPSSHCCO-UHFFFAOYSA-N 2 2 336.480 1.297 20 0 EDADLP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000662426954 453135429 /nfs/dbraw/zinc/13/54/29/453135429.db2.gz IPVCOKKVOGJAIP-UHFFFAOYSA-N 2 2 329.404 1.885 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)[C@@H](C[NH3+])C1 ZINC000666778823 453141334 /nfs/dbraw/zinc/14/13/34/453141334.db2.gz FXAPYOJEEOWKPU-RDJZCZTQSA-N 2 2 348.447 1.351 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662438826 453146800 /nfs/dbraw/zinc/14/68/00/453146800.db2.gz CDPLZHZKPZREAM-QGZVFWFLSA-N 2 2 331.460 1.469 20 0 EDADLP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000650984060 453160745 /nfs/dbraw/zinc/16/07/45/453160745.db2.gz GSCRJLFBQGPAOL-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000650984060 453160756 /nfs/dbraw/zinc/16/07/56/453160756.db2.gz GSCRJLFBQGPAOL-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000650984060 453160764 /nfs/dbraw/zinc/16/07/64/453160764.db2.gz GSCRJLFBQGPAOL-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@H]1CCC[NH+](CCCO)C1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000650984060 453160770 /nfs/dbraw/zinc/16/07/70/453160770.db2.gz GSCRJLFBQGPAOL-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)C[C@H]1n1cc[nH+]c1 ZINC000666894892 453221539 /nfs/dbraw/zinc/22/15/39/453221539.db2.gz LOMITCFBNIIESQ-CZUORRHYSA-N 2 2 341.415 1.390 20 0 EDADLP COc1ccc(OC)c([C@H]2CCCN2C(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653061641 453238216 /nfs/dbraw/zinc/23/82/16/453238216.db2.gz XFVAIFMDDGHOLB-HZPDHXFCSA-N 2 2 335.448 1.646 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc(Br)s1 ZINC000653063831 453240127 /nfs/dbraw/zinc/24/01/27/453240127.db2.gz YCXZIFYQDYEZNY-JTQLQIEISA-N 2 2 334.283 1.448 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000653066288 453243021 /nfs/dbraw/zinc/24/30/21/453243021.db2.gz MXARRRGDALKIDA-CYBMUJFWSA-N 2 2 333.354 1.523 20 0 EDADLP C[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075080 453252855 /nfs/dbraw/zinc/25/28/55/453252855.db2.gz DNPHCVZUWCOWBY-BXUZGUMPSA-N 2 2 342.281 1.775 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000653075040 453252996 /nfs/dbraw/zinc/25/29/96/453252996.db2.gz CAFDZKZMDPXSSS-KRWDZBQOSA-N 2 2 346.475 1.711 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000653073744 453253081 /nfs/dbraw/zinc/25/30/81/453253081.db2.gz LIDFPYNBLFLQOX-OAHLLOKOSA-N 2 2 341.402 1.614 20 0 EDADLP COc1ccc(C2(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCOCC2)cc1 ZINC000653077842 453256028 /nfs/dbraw/zinc/25/60/28/453256028.db2.gz MWHNFWSWPRPULM-QGZVFWFLSA-N 2 2 349.475 1.139 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1nc2cc(Cl)ccc2s1 ZINC000653079174 453258212 /nfs/dbraw/zinc/25/82/12/453258212.db2.gz VGXKRXQERXPCID-SNVBAGLBSA-N 2 2 326.853 1.845 20 0 EDADLP COc1ccc(C2(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCOCC2)cc1 ZINC000653082809 453264081 /nfs/dbraw/zinc/26/40/81/453264081.db2.gz FHIJBBFODNJYQF-INIZCTEOSA-N 2 2 335.448 1.096 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000653086281 453268157 /nfs/dbraw/zinc/26/81/57/453268157.db2.gz MKDFKRSSJWBVHO-GJZGRUSLSA-N 2 2 325.840 1.519 20 0 EDADLP CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653086427 453268448 /nfs/dbraw/zinc/26/84/48/453268448.db2.gz QUIPZHRVQMRAFX-ZDUSSCGKSA-N 2 2 343.855 1.973 20 0 EDADLP Cc1noc(COc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)n1 ZINC000653089301 453272785 /nfs/dbraw/zinc/27/27/85/453272785.db2.gz DQNXQLXYRSCZRU-AWEZNQCLSA-N 2 2 333.392 1.175 20 0 EDADLP Cc1cccc2[nH+]cc(CN3CC[NH+]([C@H]4CCNC(=O)CC4)CC3)n21 ZINC000648819239 453299664 /nfs/dbraw/zinc/29/96/64/453299664.db2.gz UKPFDERGHLLLRM-MRXNPFEDSA-N 2 2 341.459 1.429 20 0 EDADLP Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653112358 453299871 /nfs/dbraw/zinc/29/98/71/453299871.db2.gz WGGVQMLFKSZWRP-BBRMVZONSA-N 2 2 329.448 1.516 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000653119618 453309142 /nfs/dbraw/zinc/30/91/42/453309142.db2.gz PTOVBBAXCKNIHG-NZSAHSFTSA-N 3 2 346.519 1.777 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653119618 453309147 /nfs/dbraw/zinc/30/91/47/453309147.db2.gz PTOVBBAXCKNIHG-NZSAHSFTSA-N 3 2 346.519 1.777 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000653120845 453310251 /nfs/dbraw/zinc/31/02/51/453310251.db2.gz CJEIPSFRIFPKNP-MRXNPFEDSA-N 3 2 331.464 1.420 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653120809 453310650 /nfs/dbraw/zinc/31/06/50/453310650.db2.gz BEHSQTUHOXWKDX-MRXNPFEDSA-N 2 2 334.464 1.045 20 0 EDADLP C[N@H+](Cc1cnc(C2CC2)nc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656617961 453324558 /nfs/dbraw/zinc/32/45/58/453324558.db2.gz RQDCQBNSMZNDMX-GOSISDBHSA-N 2 2 329.492 1.954 20 0 EDADLP C[N@@H+](Cc1cnc(C2CC2)nc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656617961 453324565 /nfs/dbraw/zinc/32/45/65/453324565.db2.gz RQDCQBNSMZNDMX-GOSISDBHSA-N 2 2 329.492 1.954 20 0 EDADLP CN(Cc1cnc(C2CC2)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656617961 453324573 /nfs/dbraw/zinc/32/45/73/453324573.db2.gz RQDCQBNSMZNDMX-GOSISDBHSA-N 2 2 329.492 1.954 20 0 EDADLP CN(Cc1cnc(C2CC2)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656617961 453324583 /nfs/dbraw/zinc/32/45/83/453324583.db2.gz RQDCQBNSMZNDMX-GOSISDBHSA-N 2 2 329.492 1.954 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)CC[N@@H+]1C ZINC000648869245 453345941 /nfs/dbraw/zinc/34/59/41/453345941.db2.gz LUEFOGZLMKYWAO-QLFBSQMISA-N 2 2 332.448 1.468 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)CC[N@H+]1C ZINC000648869245 453345948 /nfs/dbraw/zinc/34/59/48/453345948.db2.gz LUEFOGZLMKYWAO-QLFBSQMISA-N 2 2 332.448 1.468 20 0 EDADLP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662665738 453379858 /nfs/dbraw/zinc/37/98/58/453379858.db2.gz NXRMQIMCLJSWAY-HNNXBMFYSA-N 2 2 348.447 1.078 20 0 EDADLP C[C@]1(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1(F)F ZINC000662667083 453380959 /nfs/dbraw/zinc/38/09/59/453380959.db2.gz WGVYGBMOSOJKHS-DOTOQJQBSA-N 2 2 348.397 1.963 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662671708 453387128 /nfs/dbraw/zinc/38/71/28/453387128.db2.gz OXCOQPFYUZRPGN-SJLPKXTDSA-N 2 2 347.459 1.012 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653202611 453396980 /nfs/dbraw/zinc/39/69/80/453396980.db2.gz PDRKKGJDKPRMQI-BMFAXAFESA-N 3 2 346.519 1.775 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653202611 453396986 /nfs/dbraw/zinc/39/69/86/453396986.db2.gz PDRKKGJDKPRMQI-BMFAXAFESA-N 3 2 346.519 1.775 20 0 EDADLP CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000662682594 453401878 /nfs/dbraw/zinc/40/18/78/453401878.db2.gz KFLFPJICVSUCNW-IRXDYDNUSA-N 2 2 331.460 1.564 20 0 EDADLP Cn1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2c1CCCC2 ZINC000648926370 453402630 /nfs/dbraw/zinc/40/26/30/453402630.db2.gz HSVDTWDHZAJSJL-CQSZACIVSA-N 2 2 345.491 1.197 20 0 EDADLP Cn1nc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2c1CCCC2 ZINC000648926370 453402638 /nfs/dbraw/zinc/40/26/38/453402638.db2.gz HSVDTWDHZAJSJL-CQSZACIVSA-N 2 2 345.491 1.197 20 0 EDADLP C[C@@H]1Cc2cccc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2O1 ZINC000648926365 453402779 /nfs/dbraw/zinc/40/27/79/453402779.db2.gz HQWTWGAMXMQPGE-GDBMZVCRSA-N 2 2 343.471 1.908 20 0 EDADLP C[C@@H]1Cc2cccc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2O1 ZINC000648926365 453402783 /nfs/dbraw/zinc/40/27/83/453402783.db2.gz HQWTWGAMXMQPGE-GDBMZVCRSA-N 2 2 343.471 1.908 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000664791381 453407732 /nfs/dbraw/zinc/40/77/32/453407732.db2.gz GRYDFXKGZXVIQJ-XNIRIUNOSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000664791381 453407745 /nfs/dbraw/zinc/40/77/45/453407745.db2.gz GRYDFXKGZXVIQJ-XNIRIUNOSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(C)[nH+]1 ZINC000662695837 453416403 /nfs/dbraw/zinc/41/64/03/453416403.db2.gz QLHHIGNBPRJESM-OAHLLOKOSA-N 2 2 330.432 1.546 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c(C)[nH+]1 ZINC000662695837 453416416 /nfs/dbraw/zinc/41/64/16/453416416.db2.gz QLHHIGNBPRJESM-OAHLLOKOSA-N 2 2 330.432 1.546 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662711112 453434408 /nfs/dbraw/zinc/43/44/08/453434408.db2.gz LAYOHSYJEFWNDR-AWEZNQCLSA-N 2 2 330.354 1.932 20 0 EDADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(C(N)=O)c1 ZINC000667190638 453465986 /nfs/dbraw/zinc/46/59/86/453465986.db2.gz VHMMWGRUFLJREM-UHFFFAOYSA-N 2 2 335.452 1.099 20 0 EDADLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(C(N)=O)c1 ZINC000667190638 453465990 /nfs/dbraw/zinc/46/59/90/453465990.db2.gz VHMMWGRUFLJREM-UHFFFAOYSA-N 2 2 335.452 1.099 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCc1cc(F)cc(F)c1)C2 ZINC000660659290 453495188 /nfs/dbraw/zinc/49/51/88/453495188.db2.gz NYGDFFVPKOANPN-SFHVURJKSA-N 2 2 337.414 1.999 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCc1cc(F)cc(F)c1)C2 ZINC000660659290 453495195 /nfs/dbraw/zinc/49/51/95/453495195.db2.gz NYGDFFVPKOANPN-SFHVURJKSA-N 2 2 337.414 1.999 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)C2 ZINC000660659290 453495205 /nfs/dbraw/zinc/49/52/05/453495205.db2.gz NYGDFFVPKOANPN-SFHVURJKSA-N 2 2 337.414 1.999 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)C2 ZINC000660659290 453495214 /nfs/dbraw/zinc/49/52/14/453495214.db2.gz NYGDFFVPKOANPN-SFHVURJKSA-N 2 2 337.414 1.999 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662790029 453524153 /nfs/dbraw/zinc/52/41/53/453524153.db2.gz GYCRYDHYRPJXHJ-KBRIMQKVSA-N 2 2 335.423 1.395 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655445718 453531818 /nfs/dbraw/zinc/53/18/18/453531818.db2.gz JZCFGRJIEKWLCR-MJGOQNOKSA-N 2 2 329.444 1.847 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000660713207 453541723 /nfs/dbraw/zinc/54/17/23/453541723.db2.gz PTJYLVYKHMQBNE-PMPSAXMXSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000660713207 453541726 /nfs/dbraw/zinc/54/17/26/453541726.db2.gz PTJYLVYKHMQBNE-PMPSAXMXSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c2[nH+]ccn21 ZINC000665048063 453553710 /nfs/dbraw/zinc/55/37/10/453553710.db2.gz RBGWPVCAIYDHBW-VHDGCEQUSA-N 2 2 333.436 1.130 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c2[nH+]ccn21 ZINC000665048063 453553716 /nfs/dbraw/zinc/55/37/16/453553716.db2.gz RBGWPVCAIYDHBW-VHDGCEQUSA-N 2 2 333.436 1.130 20 0 EDADLP CN(C(=O)Cc1ccccc1N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900943 453596165 /nfs/dbraw/zinc/59/61/65/453596165.db2.gz QNBGYKIXGCNALO-QGZVFWFLSA-N 2 2 330.476 1.438 20 0 EDADLP CN(C(=O)Cc1ccccc1N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900943 453596168 /nfs/dbraw/zinc/59/61/68/453596168.db2.gz QNBGYKIXGCNALO-QGZVFWFLSA-N 2 2 330.476 1.438 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000660855213 453612109 /nfs/dbraw/zinc/61/21/09/453612109.db2.gz LOIPTKZPTCMDMH-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000660855213 453612112 /nfs/dbraw/zinc/61/21/12/453612112.db2.gz LOIPTKZPTCMDMH-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660855213 453612116 /nfs/dbraw/zinc/61/21/16/453612116.db2.gz LOIPTKZPTCMDMH-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660855213 453612118 /nfs/dbraw/zinc/61/21/18/453612118.db2.gz LOIPTKZPTCMDMH-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP c1cc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)ccn1 ZINC000665240139 453620086 /nfs/dbraw/zinc/62/00/86/453620086.db2.gz DJLBTQPAGUKUHF-VQTJNVASSA-N 3 2 344.503 1.650 20 0 EDADLP CCCc1nnc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000665278444 453633106 /nfs/dbraw/zinc/63/31/06/453633106.db2.gz FQAIDHBVJGHPSG-UHFFFAOYSA-N 2 2 328.486 1.496 20 0 EDADLP CCCc1nnc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000665278444 453633109 /nfs/dbraw/zinc/63/31/09/453633109.db2.gz FQAIDHBVJGHPSG-UHFFFAOYSA-N 2 2 328.486 1.496 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290939 453638084 /nfs/dbraw/zinc/63/80/84/453638084.db2.gz PFAXGRSCNAKRLB-WMLDXEAASA-N 3 2 341.459 1.641 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290939 453638087 /nfs/dbraw/zinc/63/80/87/453638087.db2.gz PFAXGRSCNAKRLB-WMLDXEAASA-N 3 2 341.459 1.641 20 0 EDADLP C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000660931530 453650725 /nfs/dbraw/zinc/65/07/25/453650725.db2.gz PKGIVCSWNACWRI-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000660931530 453650728 /nfs/dbraw/zinc/65/07/28/453650728.db2.gz PKGIVCSWNACWRI-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000665342855 453658462 /nfs/dbraw/zinc/65/84/62/453658462.db2.gz QCMONEZLMYWDJA-UHFFFAOYSA-N 2 2 349.435 1.023 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000665342855 453658466 /nfs/dbraw/zinc/65/84/66/453658466.db2.gz QCMONEZLMYWDJA-UHFFFAOYSA-N 2 2 349.435 1.023 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000665462001 453701998 /nfs/dbraw/zinc/70/19/98/453701998.db2.gz BZFCTSCKLJLIBF-SFHVURJKSA-N 2 2 331.460 1.872 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000665462001 453702000 /nfs/dbraw/zinc/70/20/00/453702000.db2.gz BZFCTSCKLJLIBF-SFHVURJKSA-N 2 2 331.460 1.872 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000665535345 453735505 /nfs/dbraw/zinc/73/55/05/453735505.db2.gz QRSGZCDUOCKYQE-HZPDHXFCSA-N 2 2 326.444 1.804 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000665535345 453735509 /nfs/dbraw/zinc/73/55/09/453735509.db2.gz QRSGZCDUOCKYQE-HZPDHXFCSA-N 2 2 326.444 1.804 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NC1CCC(C)CC1 ZINC000663303043 453762174 /nfs/dbraw/zinc/76/21/74/453762174.db2.gz CDECTLUPXMLWFU-OQGULXLBSA-N 2 2 337.508 1.913 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1C ZINC000657370749 453776191 /nfs/dbraw/zinc/77/61/91/453776191.db2.gz PRKDQFJHGWGKJA-MJGOQNOKSA-N 2 2 328.460 1.701 20 0 EDADLP OCCNc1nc(NCCC[NH+]2CCC(O)CC2)[nH+]c2ccccc21 ZINC000663400979 453789938 /nfs/dbraw/zinc/78/99/38/453789938.db2.gz AGBDDDKEUYSWRS-UHFFFAOYSA-N 2 2 345.447 1.293 20 0 EDADLP C[C@H](CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[NH+](C)C ZINC000663515567 453814112 /nfs/dbraw/zinc/81/41/12/453814112.db2.gz HEHWEFINLZPTRO-AEFFLSMTSA-N 2 2 348.491 1.699 20 0 EDADLP Cn1ncc(Br)c1C[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000683765593 486665561 /nfs/dbraw/zinc/66/55/61/486665561.db2.gz ZFGPEKUXVVYLOE-UHFFFAOYSA-N 2 2 344.301 1.300 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3Cc4ccccc4C3)C2)CC1 ZINC000683317808 486685643 /nfs/dbraw/zinc/68/56/43/486685643.db2.gz BDNJMELXEWTUOT-SFHVURJKSA-N 2 2 327.472 1.686 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3Cc4ccccc4C3)C2)CC1 ZINC000683317808 486685645 /nfs/dbraw/zinc/68/56/45/486685645.db2.gz BDNJMELXEWTUOT-SFHVURJKSA-N 2 2 327.472 1.686 20 0 EDADLP CN(C)c1[nH+]cccc1CNc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000435346370 486700022 /nfs/dbraw/zinc/70/00/22/486700022.db2.gz BFKFSIIYDQYHAX-CQSZACIVSA-N 2 2 328.420 2.141 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676242829 486702392 /nfs/dbraw/zinc/70/23/92/486702392.db2.gz AXEIZDMFXXOOCG-YOEHRIQHSA-N 2 2 332.448 1.021 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676242829 486702395 /nfs/dbraw/zinc/70/23/95/486702395.db2.gz AXEIZDMFXXOOCG-YOEHRIQHSA-N 2 2 332.448 1.021 20 0 EDADLP O=C(C[N@@H+]1CCC12CCOCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000683525730 486745322 /nfs/dbraw/zinc/74/53/22/486745322.db2.gz BXLGHVBSHVYQHJ-UHFFFAOYSA-N 2 2 333.432 1.179 20 0 EDADLP O=C(C[N@H+]1CCC12CCOCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000683525730 486745325 /nfs/dbraw/zinc/74/53/25/486745325.db2.gz BXLGHVBSHVYQHJ-UHFFFAOYSA-N 2 2 333.432 1.179 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc4c(c3)COC4)C2)CC1 ZINC000680396858 486768525 /nfs/dbraw/zinc/76/85/25/486768525.db2.gz AVHLFLXERDVRMZ-GOSISDBHSA-N 2 2 343.471 1.544 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc4c(c3)COC4)C2)CC1 ZINC000680396858 486768529 /nfs/dbraw/zinc/76/85/29/486768529.db2.gz AVHLFLXERDVRMZ-GOSISDBHSA-N 2 2 343.471 1.544 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)nc(C)[nH+]1 ZINC000672877982 486826683 /nfs/dbraw/zinc/82/66/83/486826683.db2.gz HTYGCVMCZYPUBA-AWEZNQCLSA-N 2 2 328.420 1.155 20 0 EDADLP CN(Cc1c(Cl)cnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457375 486844255 /nfs/dbraw/zinc/84/42/55/486844255.db2.gz BHQYPMYEQYUDPX-CQSZACIVSA-N 2 2 325.888 1.674 20 0 EDADLP CN(Cc1c(Cl)cnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457375 486844261 /nfs/dbraw/zinc/84/42/61/486844261.db2.gz BHQYPMYEQYUDPX-CQSZACIVSA-N 2 2 325.888 1.674 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(C)n3C)CC2)CC1 ZINC000667602188 486868508 /nfs/dbraw/zinc/86/85/08/486868508.db2.gz VXTUZMDVIGRTBD-UHFFFAOYSA-N 2 2 347.507 1.495 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)CC1 ZINC000667602188 486868511 /nfs/dbraw/zinc/86/85/11/486868511.db2.gz VXTUZMDVIGRTBD-UHFFFAOYSA-N 3 2 347.507 1.495 20 0 EDADLP Cc1cc(C(F)(F)F)ncc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000667612493 486878657 /nfs/dbraw/zinc/87/86/57/486878657.db2.gz GMAZSBCBNDYEOH-JTQLQIEISA-N 2 2 331.342 1.515 20 0 EDADLP Cc1cc(C(F)(F)F)ncc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000667612493 486878663 /nfs/dbraw/zinc/87/86/63/486878663.db2.gz GMAZSBCBNDYEOH-JTQLQIEISA-N 2 2 331.342 1.515 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)c2ccccc2O1 ZINC000676844213 486901695 /nfs/dbraw/zinc/90/16/95/486901695.db2.gz HGAQMQNQXFKHBH-GDBMZVCRSA-N 2 2 340.427 1.801 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc4[nH]c(=O)oc43)C2)CC1 ZINC000676882523 486917970 /nfs/dbraw/zinc/91/79/70/486917970.db2.gz OIDLYNJFVHNSNY-LBPRGKRZSA-N 2 2 344.415 1.432 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc4[nH]c(=O)oc43)C2)CC1 ZINC000676882523 486917974 /nfs/dbraw/zinc/91/79/74/486917974.db2.gz OIDLYNJFVHNSNY-LBPRGKRZSA-N 2 2 344.415 1.432 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000677095577 486973213 /nfs/dbraw/zinc/97/32/13/486973213.db2.gz DEANLSCXDLBIHS-JKSUJKDBSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@@H+]1CCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C[C@@H]1C ZINC000677203871 487008939 /nfs/dbraw/zinc/00/89/39/487008939.db2.gz VMDBDGXCEGFLQZ-AWEZNQCLSA-N 2 2 347.463 1.785 20 0 EDADLP CC[N@H+]1CCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C[C@@H]1C ZINC000677203871 487008942 /nfs/dbraw/zinc/00/89/42/487008942.db2.gz VMDBDGXCEGFLQZ-AWEZNQCLSA-N 2 2 347.463 1.785 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000681356349 487023768 /nfs/dbraw/zinc/02/37/68/487023768.db2.gz UWOCLXOLXMCBJT-UHFFFAOYSA-N 2 2 329.404 1.157 20 0 EDADLP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000677416113 487074538 /nfs/dbraw/zinc/07/45/38/487074538.db2.gz DSWKGVQIXPFVCP-ZBFHGGJFSA-N 2 2 340.489 1.588 20 0 EDADLP Cc1cn2ccc(NC(=O)NCC[N@@H+]3CCOCC3(C)C)cc2[nH+]1 ZINC000668154765 487122619 /nfs/dbraw/zinc/12/26/19/487122619.db2.gz VFRYKANORXUQCQ-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP Cc1cn2ccc(NC(=O)NCC[N@H+]3CCOCC3(C)C)cc2[nH+]1 ZINC000668154765 487122621 /nfs/dbraw/zinc/12/26/21/487122621.db2.gz VFRYKANORXUQCQ-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)cc2[nH+]1 ZINC000668168341 487127236 /nfs/dbraw/zinc/12/72/36/487127236.db2.gz VCODZHRPNODQLM-HNNXBMFYSA-N 2 2 329.404 1.581 20 0 EDADLP O=S1(=O)CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cc(F)ccc21 ZINC000681743016 487154586 /nfs/dbraw/zinc/15/45/86/487154586.db2.gz ATRTZJADWWJLEK-JSGCOSHPSA-N 2 2 335.404 1.845 20 0 EDADLP CN(C(=O)c1cnc2[nH]cnc2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677911997 487199113 /nfs/dbraw/zinc/19/91/13/487199113.db2.gz LCYFJUQCIWMLFF-OAHLLOKOSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)c1cnc2[nH]cnc2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677911997 487199115 /nfs/dbraw/zinc/19/91/15/487199115.db2.gz LCYFJUQCIWMLFF-OAHLLOKOSA-N 2 2 342.447 1.198 20 0 EDADLP C[C@@H](NC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000681875524 487214727 /nfs/dbraw/zinc/21/47/27/487214727.db2.gz XBKBDJZBEBFMMO-UKRRQHHQSA-N 2 2 334.468 1.138 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000678266880 487278763 /nfs/dbraw/zinc/27/87/63/487278763.db2.gz NKKXSSHBCNNPDT-UHFFFAOYSA-N 2 2 329.448 1.546 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000678266880 487278766 /nfs/dbraw/zinc/27/87/66/487278766.db2.gz NKKXSSHBCNNPDT-UHFFFAOYSA-N 2 2 329.448 1.546 20 0 EDADLP CC(C)Nc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000674604434 487285808 /nfs/dbraw/zinc/28/58/08/487285808.db2.gz KGBKTRRGEQHQRP-INIZCTEOSA-N 2 2 345.491 1.800 20 0 EDADLP CC(C)Nc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000674604434 487285810 /nfs/dbraw/zinc/28/58/10/487285810.db2.gz KGBKTRRGEQHQRP-INIZCTEOSA-N 2 2 345.491 1.800 20 0 EDADLP CN(C)S(=O)(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685633628 487306063 /nfs/dbraw/zinc/30/60/63/487306063.db2.gz JKRZKEYIUMIKHT-INIZCTEOSA-N 2 2 339.505 1.521 20 0 EDADLP CN(C)S(=O)(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000685633628 487306065 /nfs/dbraw/zinc/30/60/65/487306065.db2.gz JKRZKEYIUMIKHT-INIZCTEOSA-N 2 2 339.505 1.521 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000674751322 487309282 /nfs/dbraw/zinc/30/92/82/487309282.db2.gz OXINFMVYUZLWQK-HUUCEWRRSA-N 2 2 326.466 1.192 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000674751322 487309283 /nfs/dbraw/zinc/30/92/83/487309283.db2.gz OXINFMVYUZLWQK-HUUCEWRRSA-N 2 2 326.466 1.192 20 0 EDADLP Cc1cccn2cc(CC[NH2+]C3CCN(C(=O)N(C)C)CC3)[nH+]c12 ZINC000678730579 487358174 /nfs/dbraw/zinc/35/81/74/487358174.db2.gz RSLJAWIDBRHDJW-UHFFFAOYSA-N 2 2 329.448 1.921 20 0 EDADLP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC000682532108 487383190 /nfs/dbraw/zinc/38/31/90/487383190.db2.gz LSDGVSPRIIADCJ-YESZJQIVSA-N 2 2 345.491 1.120 20 0 EDADLP CS(=O)(=O)N1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000675739116 487440034 /nfs/dbraw/zinc/44/00/34/487440034.db2.gz GWFYXEPGGOAPHF-UHFFFAOYSA-N 2 2 348.472 1.445 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000675782612 487443558 /nfs/dbraw/zinc/44/35/58/487443558.db2.gz VVNWBYIALLOVOC-CYBMUJFWSA-N 2 2 344.459 1.341 20 0 EDADLP Cn1nc2c(c1C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CCCC2 ZINC000675796012 487445337 /nfs/dbraw/zinc/44/53/37/487445337.db2.gz SCJDBYGVGAXIMH-AWEZNQCLSA-N 2 2 345.491 1.197 20 0 EDADLP Cn1nc2c(c1C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CCCC2 ZINC000675796012 487445340 /nfs/dbraw/zinc/44/53/40/487445340.db2.gz SCJDBYGVGAXIMH-AWEZNQCLSA-N 2 2 345.491 1.197 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000679728094 487461790 /nfs/dbraw/zinc/46/17/90/487461790.db2.gz YVEDUIKCWFUSRH-UHFFFAOYSA-N 2 2 342.447 1.995 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453276305 485518737 /nfs/dbraw/zinc/51/87/37/485518737.db2.gz GDMXLNLYBQGHSP-IXDOHACOSA-N 2 2 339.505 1.739 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453276305 485518745 /nfs/dbraw/zinc/51/87/45/485518745.db2.gz GDMXLNLYBQGHSP-IXDOHACOSA-N 2 2 339.505 1.739 20 0 EDADLP CCn1nncc1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000669540755 485525242 /nfs/dbraw/zinc/52/52/42/485525242.db2.gz SRPBRFDNGIGONH-HNNXBMFYSA-N 2 2 328.420 1.415 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669544313 485530333 /nfs/dbraw/zinc/53/03/33/485530333.db2.gz ZAMGIRFCIUUVNX-QCZZGDTMSA-N 2 2 328.819 1.871 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669544313 485530337 /nfs/dbraw/zinc/53/03/37/485530337.db2.gz ZAMGIRFCIUUVNX-QCZZGDTMSA-N 2 2 328.819 1.871 20 0 EDADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668317649 485569586 /nfs/dbraw/zinc/56/95/86/485569586.db2.gz SYTDMXNPEBCOEO-CQSZACIVSA-N 2 2 332.448 1.276 20 0 EDADLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668317649 485569590 /nfs/dbraw/zinc/56/95/90/485569590.db2.gz SYTDMXNPEBCOEO-CQSZACIVSA-N 2 2 332.448 1.276 20 0 EDADLP CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670985400 485608744 /nfs/dbraw/zinc/60/87/44/485608744.db2.gz SIGAJGIKUSMELK-DAWZGUTISA-N 2 2 337.508 1.868 20 0 EDADLP CC1CCC(NC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670985400 485608752 /nfs/dbraw/zinc/60/87/52/485608752.db2.gz SIGAJGIKUSMELK-DAWZGUTISA-N 2 2 337.508 1.868 20 0 EDADLP O[C@@H](COc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986511 485610660 /nfs/dbraw/zinc/61/06/60/485610660.db2.gz VGLLDVUIQLLGPN-QZTJIDSGSA-N 2 2 334.460 1.613 20 0 EDADLP O[C@@H](COc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986511 485610669 /nfs/dbraw/zinc/61/06/69/485610669.db2.gz VGLLDVUIQLLGPN-QZTJIDSGSA-N 2 2 334.460 1.613 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1([NH+]2CCOCC2)CCCC1 ZINC000669224635 485830738 /nfs/dbraw/zinc/83/07/38/485830738.db2.gz WZIGLAFTCCYEKQ-ARFHVFGLSA-N 2 2 346.475 1.673 20 0 EDADLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)nn1 ZINC000343456288 485932039 /nfs/dbraw/zinc/93/20/39/485932039.db2.gz SGUOUSFJWTVEMU-SUMWQHHRSA-N 2 2 329.452 1.254 20 0 EDADLP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)nn1 ZINC000343456288 485932046 /nfs/dbraw/zinc/93/20/46/485932046.db2.gz SGUOUSFJWTVEMU-SUMWQHHRSA-N 2 2 329.452 1.254 20 0 EDADLP O=C(NCC[NH2+]C1CC1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000669366405 486013072 /nfs/dbraw/zinc/01/30/72/486013072.db2.gz KJQMDBDGXIVXGA-QGZVFWFLSA-N 2 2 332.448 1.111 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NC[C@H]1CCCC[NH2+]1 ZINC000669366431 486013150 /nfs/dbraw/zinc/01/31/50/486013150.db2.gz RYNRKMZKDTXKGW-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCc2cccnc21 ZINC000668688426 486049013 /nfs/dbraw/zinc/04/90/13/486049013.db2.gz NZVIALYPDGAKGF-KRWDZBQOSA-N 2 2 330.476 1.596 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCc2cccnc21 ZINC000668688426 486049018 /nfs/dbraw/zinc/04/90/18/486049018.db2.gz NZVIALYPDGAKGF-KRWDZBQOSA-N 2 2 330.476 1.596 20 0 EDADLP CCc1c[nH]c(=O)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000668690122 486051004 /nfs/dbraw/zinc/05/10/04/486051004.db2.gz SVTNQGLWQPEVQA-UHFFFAOYSA-N 2 2 334.464 1.448 20 0 EDADLP CCc1c[nH]c(=O)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000668690122 486051011 /nfs/dbraw/zinc/05/10/11/486051011.db2.gz SVTNQGLWQPEVQA-UHFFFAOYSA-N 2 2 334.464 1.448 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)CC2)C1 ZINC000668739062 486108568 /nfs/dbraw/zinc/10/85/68/486108568.db2.gz IUFPIXPOZOMVOO-QUCCMNQESA-N 2 2 346.471 1.885 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)CC2)C1 ZINC000668739062 486108570 /nfs/dbraw/zinc/10/85/70/486108570.db2.gz IUFPIXPOZOMVOO-QUCCMNQESA-N 2 2 346.471 1.885 20 0 EDADLP COc1cc2c(cc1C[NH+]1CCN(c3[nH+]ccn3C)CC1)OCO2 ZINC000668793189 486204079 /nfs/dbraw/zinc/20/40/79/486204079.db2.gz SGSOKYGUGPXJLO-UHFFFAOYSA-N 2 2 330.388 1.480 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC000670787447 486220073 /nfs/dbraw/zinc/22/00/73/486220073.db2.gz GQGLLKBOHOPVHL-OAHLLOKOSA-N 3 2 327.432 1.233 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC000670787447 486220075 /nfs/dbraw/zinc/22/00/75/486220075.db2.gz GQGLLKBOHOPVHL-OAHLLOKOSA-N 3 2 327.432 1.233 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)C[C@@H](C)O1 ZINC000670079588 486605224 /nfs/dbraw/zinc/60/52/24/486605224.db2.gz DZLMOTYTUOWJLJ-ZIAGYGMSSA-N 2 2 349.479 1.579 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000073439251 491008682 /nfs/dbraw/zinc/00/86/82/491008682.db2.gz ULTFJVCQTDTNQH-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000073439251 491008684 /nfs/dbraw/zinc/00/86/84/491008684.db2.gz ULTFJVCQTDTNQH-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000073439251 491008686 /nfs/dbraw/zinc/00/86/86/491008686.db2.gz ULTFJVCQTDTNQH-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000073439251 491008688 /nfs/dbraw/zinc/00/86/88/491008688.db2.gz ULTFJVCQTDTNQH-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000639526178 500766151 /nfs/dbraw/zinc/76/61/51/500766151.db2.gz AUSRHBXXFAIDSW-UHFFFAOYSA-N 2 2 335.452 1.227 20 0 EDADLP COC[C@@]1(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC[NH2+]C1 ZINC000423422779 500819031 /nfs/dbraw/zinc/81/90/31/500819031.db2.gz YXNKHOFCDAXOFG-RHSMWYFYSA-N 2 2 341.402 1.310 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000178499339 533953446 /nfs/dbraw/zinc/95/34/46/533953446.db2.gz XWJFDCFUBMFBOR-UKRRQHHQSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@H+]1C ZINC000178499339 533953452 /nfs/dbraw/zinc/95/34/52/533953452.db2.gz XWJFDCFUBMFBOR-UKRRQHHQSA-N 2 2 325.478 1.509 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1nccs1 ZINC000186623917 533956422 /nfs/dbraw/zinc/95/64/22/533956422.db2.gz DKMUHEDHMICWII-ZDUSSCGKSA-N 2 2 339.509 1.572 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000340209798 534908505 /nfs/dbraw/zinc/90/85/05/534908505.db2.gz WALXVAABHRDKEK-UHFFFAOYSA-N 2 2 349.479 1.003 20 0 EDADLP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153193312 527732480 /nfs/dbraw/zinc/73/24/80/527732480.db2.gz DPVVQZRPENLFHQ-INIZCTEOSA-N 2 2 331.464 1.832 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171481166 527858583 /nfs/dbraw/zinc/85/85/83/527858583.db2.gz KPCXDMXNUHYUPK-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171481166 527858588 /nfs/dbraw/zinc/85/85/88/527858588.db2.gz KPCXDMXNUHYUPK-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171481166 527858595 /nfs/dbraw/zinc/85/85/95/527858595.db2.gz KPCXDMXNUHYUPK-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171481166 527858599 /nfs/dbraw/zinc/85/85/99/527858599.db2.gz KPCXDMXNUHYUPK-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000158460913 527882389 /nfs/dbraw/zinc/88/23/89/527882389.db2.gz KMFPHCPPAPDKFB-AEFFLSMTSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000158460913 527882392 /nfs/dbraw/zinc/88/23/92/527882392.db2.gz KMFPHCPPAPDKFB-AEFFLSMTSA-N 3 2 331.508 1.653 20 0 EDADLP CC1(CO)CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000186952475 527999664 /nfs/dbraw/zinc/99/96/64/527999664.db2.gz LMBBVFWNIQTSAI-UHFFFAOYSA-N 2 2 346.475 1.215 20 0 EDADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000131439223 528112146 /nfs/dbraw/zinc/11/21/46/528112146.db2.gz IOYCRHXZOHAORW-CQSZACIVSA-N 2 2 327.494 1.977 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000174210639 528176614 /nfs/dbraw/zinc/17/66/14/528176614.db2.gz WMBKHOUTRFXPAT-ZDUSSCGKSA-N 2 2 335.477 1.623 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000174210639 528176618 /nfs/dbraw/zinc/17/66/18/528176618.db2.gz WMBKHOUTRFXPAT-ZDUSSCGKSA-N 2 2 335.477 1.623 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000169248967 528348721 /nfs/dbraw/zinc/34/87/21/528348721.db2.gz LZNLYDMAOGTHNT-HNNXBMFYSA-N 2 2 334.489 1.809 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1COCC[NH2+]1 ZINC000169244938 528349318 /nfs/dbraw/zinc/34/93/18/528349318.db2.gz MFCLFVPGAABPEN-INIZCTEOSA-N 2 2 332.448 1.135 20 0 EDADLP CC(C)(C)c1cnc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000261994067 535140748 /nfs/dbraw/zinc/14/07/48/535140748.db2.gz SRSLLZLJEYSWEL-ZDUSSCGKSA-N 2 2 336.505 1.837 20 0 EDADLP CC(C)(C)c1cnc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000261994067 535140752 /nfs/dbraw/zinc/14/07/52/535140752.db2.gz SRSLLZLJEYSWEL-ZDUSSCGKSA-N 2 2 336.505 1.837 20 0 EDADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263133441 535254613 /nfs/dbraw/zinc/25/46/13/535254613.db2.gz BXPITYFRSHULQT-JSGCOSHPSA-N 2 2 343.265 1.908 20 0 EDADLP CCOc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000339543768 535458350 /nfs/dbraw/zinc/45/83/50/535458350.db2.gz KSHRSEPLJOKRQR-LJQANCHMSA-N 2 2 341.455 1.989 20 0 EDADLP CCOc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000339543768 535458357 /nfs/dbraw/zinc/45/83/57/535458357.db2.gz KSHRSEPLJOKRQR-LJQANCHMSA-N 2 2 341.455 1.989 20 0 EDADLP CCCc1nc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000261699852 535523227 /nfs/dbraw/zinc/52/32/27/535523227.db2.gz OMWFMZPMTJGPQN-KGLIPLIRSA-N 2 2 335.452 1.102 20 0 EDADLP CCCc1nc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)no1 ZINC000261699852 535523231 /nfs/dbraw/zinc/52/32/31/535523231.db2.gz OMWFMZPMTJGPQN-KGLIPLIRSA-N 2 2 335.452 1.102 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000262181759 535526248 /nfs/dbraw/zinc/52/62/48/535526248.db2.gz ZZXTWHQMZVAFMA-LJQANCHMSA-N 2 2 349.475 1.866 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000245840703 535634836 /nfs/dbraw/zinc/63/48/36/535634836.db2.gz HTKJTNJQRFASGV-IRXDYDNUSA-N 3 2 347.507 1.227 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000245840703 535634838 /nfs/dbraw/zinc/63/48/38/535634838.db2.gz HTKJTNJQRFASGV-IRXDYDNUSA-N 3 2 347.507 1.227 20 0 EDADLP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000245840703 535634847 /nfs/dbraw/zinc/63/48/47/535634847.db2.gz HTKJTNJQRFASGV-IRXDYDNUSA-N 2 2 347.507 1.227 20 0 EDADLP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000245840703 535634851 /nfs/dbraw/zinc/63/48/51/535634851.db2.gz HTKJTNJQRFASGV-IRXDYDNUSA-N 2 2 347.507 1.227 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)C1 ZINC000081432436 535764409 /nfs/dbraw/zinc/76/44/09/535764409.db2.gz XYGBYUVZGMDQID-SFHVURJKSA-N 2 2 347.459 1.486 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)C1 ZINC000081432436 535764411 /nfs/dbraw/zinc/76/44/11/535764411.db2.gz XYGBYUVZGMDQID-SFHVURJKSA-N 2 2 347.459 1.486 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@]2(CO)CCOc3ccccc32)s1 ZINC000352857931 536059617 /nfs/dbraw/zinc/05/96/17/536059617.db2.gz KWTDHIWXSXYZRM-KRWDZBQOSA-N 2 2 333.457 1.965 20 0 EDADLP CN(C)S(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340387517 536087614 /nfs/dbraw/zinc/08/76/14/536087614.db2.gz HGVKOTBNSILPQE-JKSUJKDBSA-N 2 2 325.478 1.303 20 0 EDADLP CN(C)S(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340387517 536087617 /nfs/dbraw/zinc/08/76/17/536087617.db2.gz HGVKOTBNSILPQE-JKSUJKDBSA-N 2 2 325.478 1.303 20 0 EDADLP C[NH2+][C@@H](C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)c1cnn(C)c1 ZINC000262457200 536336190 /nfs/dbraw/zinc/33/61/90/536336190.db2.gz WPQRHESGSUQVOL-NVXWUHKLSA-N 2 2 345.447 1.108 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000743006579 579467443 /nfs/dbraw/zinc/46/74/43/579467443.db2.gz DQFPOGUJVSBMLR-HZPDHXFCSA-N 2 2 340.537 1.142 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000743006579 579467444 /nfs/dbraw/zinc/46/74/44/579467444.db2.gz DQFPOGUJVSBMLR-HZPDHXFCSA-N 2 2 340.537 1.142 20 0 EDADLP COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000726797123 578361647 /nfs/dbraw/zinc/36/16/47/578361647.db2.gz USCQDKAJVLJLQQ-IEBWSBKVSA-N 2 2 344.455 1.811 20 0 EDADLP COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000726797123 578361648 /nfs/dbraw/zinc/36/16/48/578361648.db2.gz USCQDKAJVLJLQQ-IEBWSBKVSA-N 2 2 344.455 1.811 20 0 EDADLP Cc1cccnc1/C=C\C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000759850504 580016953 /nfs/dbraw/zinc/01/69/53/580016953.db2.gz JARVYVQFGGZHJV-KJPDOMRESA-N 2 2 328.460 1.688 20 0 EDADLP Cc1cccnc1/C=C\C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000759850504 580016954 /nfs/dbraw/zinc/01/69/54/580016954.db2.gz JARVYVQFGGZHJV-KJPDOMRESA-N 2 2 328.460 1.688 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729500067 578578445 /nfs/dbraw/zinc/57/84/45/578578445.db2.gz RPXRXBOSNUWYHV-ZWKOTPCHSA-N 2 2 344.459 1.165 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729500067 578578448 /nfs/dbraw/zinc/57/84/48/578578448.db2.gz RPXRXBOSNUWYHV-ZWKOTPCHSA-N 2 2 344.459 1.165 20 0 EDADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000729605917 578584440 /nfs/dbraw/zinc/58/44/40/578584440.db2.gz GVZIBUKBEFMWTE-HNNXBMFYSA-N 2 2 328.420 1.360 20 0 EDADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000729605917 578584441 /nfs/dbraw/zinc/58/44/41/578584441.db2.gz GVZIBUKBEFMWTE-HNNXBMFYSA-N 2 2 328.420 1.360 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)NCc3cccs3)C2)CC1 ZINC000732720937 578725604 /nfs/dbraw/zinc/72/56/04/578725604.db2.gz NHBLTOISYOMNJL-CYBMUJFWSA-N 2 2 338.546 1.881 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)NCc3cccs3)C2)CC1 ZINC000732720937 578725605 /nfs/dbraw/zinc/72/56/05/578725605.db2.gz NHBLTOISYOMNJL-CYBMUJFWSA-N 2 2 338.546 1.881 20 0 EDADLP Cc1cccc2c(N[C@H]3CCc4[nH+]ccn4C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737409348 579086585 /nfs/dbraw/zinc/08/65/85/579086585.db2.gz MSDBIFWXNFPIHH-LBPRGKRZSA-N 2 2 346.398 1.769 20 0 EDADLP CCCCC[C@H](O)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746255021 579582315 /nfs/dbraw/zinc/58/23/15/579582315.db2.gz WEOQRSMZPBJFRM-RDJZCZTQSA-N 2 2 325.497 1.602 20 0 EDADLP CCCCC[C@H](O)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746255021 579582316 /nfs/dbraw/zinc/58/23/16/579582316.db2.gz WEOQRSMZPBJFRM-RDJZCZTQSA-N 2 2 325.497 1.602 20 0 EDADLP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3nc4c(cc3=O)CCCC4)C2)CC1 ZINC000755778271 579934790 /nfs/dbraw/zinc/93/47/90/579934790.db2.gz FJDQXDROJUUNLO-QGZVFWFLSA-N 2 2 330.476 1.743 20 0 EDADLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3nc4c(cc3=O)CCCC4)C2)CC1 ZINC000755778271 579934791 /nfs/dbraw/zinc/93/47/91/579934791.db2.gz FJDQXDROJUUNLO-QGZVFWFLSA-N 2 2 330.476 1.743 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000778228981 580459311 /nfs/dbraw/zinc/45/93/11/580459311.db2.gz WBZHIIZFEIVEQQ-GOSISDBHSA-N 2 2 329.444 1.631 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000778228981 580459312 /nfs/dbraw/zinc/45/93/12/580459312.db2.gz WBZHIIZFEIVEQQ-GOSISDBHSA-N 2 2 329.444 1.631 20 0 EDADLP C[C@H]1C[N@H+](CN2CC3(CCCC3)CC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763333434 580098029 /nfs/dbraw/zinc/09/80/29/580098029.db2.gz IDBRRMRFOBOJSZ-ZWKOTPCHSA-N 2 2 348.535 1.694 20 0 EDADLP C[C@H]1C[N@@H+](CN2CC3(CCCC3)CC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763333434 580098030 /nfs/dbraw/zinc/09/80/30/580098030.db2.gz IDBRRMRFOBOJSZ-ZWKOTPCHSA-N 2 2 348.535 1.694 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763718294 580105018 /nfs/dbraw/zinc/10/50/18/580105018.db2.gz WBEAGSOZDJWIJK-SJORKVTESA-N 2 2 334.464 1.731 20 0 EDADLP COC(=O)CC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000770184228 580255243 /nfs/dbraw/zinc/25/52/43/580255243.db2.gz BEXBUXPACAFEBP-UHFFFAOYSA-N 2 2 347.459 1.262 20 0 EDADLP C[S@@](=O)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000770510886 580262713 /nfs/dbraw/zinc/26/27/13/580262713.db2.gz UJCIRVZCFBEDJC-FDDCHVKYSA-N 2 2 335.517 1.257 20 0 EDADLP C[S@@](=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000770510886 580262714 /nfs/dbraw/zinc/26/27/14/580262714.db2.gz UJCIRVZCFBEDJC-FDDCHVKYSA-N 2 2 335.517 1.257 20 0 EDADLP CS[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH+]1CCCC1 ZINC000776210271 580411327 /nfs/dbraw/zinc/41/13/27/580411327.db2.gz DTXLVKOLUNDDHW-CABCVRRESA-N 2 2 330.457 1.986 20 0 EDADLP Cc1noc([C@H](C)ONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000779644880 580492439 /nfs/dbraw/zinc/49/24/39/580492439.db2.gz DDNJUCURCMXJPC-SWLSCSKDSA-N 2 2 345.403 1.838 20 0 EDADLP Cc1noc([C@H](C)ONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000779644880 580492440 /nfs/dbraw/zinc/49/24/40/580492440.db2.gz DDNJUCURCMXJPC-SWLSCSKDSA-N 2 2 345.403 1.838 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000782533794 580577042 /nfs/dbraw/zinc/57/70/42/580577042.db2.gz YCGZYWOIVIJFOA-UONOGXRCSA-N 2 2 346.397 1.996 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000782533794 580577043 /nfs/dbraw/zinc/57/70/43/580577043.db2.gz YCGZYWOIVIJFOA-UONOGXRCSA-N 2 2 346.397 1.996 20 0 EDADLP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783983243 580610174 /nfs/dbraw/zinc/61/01/74/580610174.db2.gz HAZOPFRREBRVIR-QGZVFWFLSA-N 3 2 347.507 1.746 20 0 EDADLP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783983243 580610175 /nfs/dbraw/zinc/61/01/75/580610175.db2.gz HAZOPFRREBRVIR-QGZVFWFLSA-N 3 2 347.507 1.746 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)S1 ZINC000787383202 580694205 /nfs/dbraw/zinc/69/42/05/580694205.db2.gz DYSRWAXKAJINAM-CQSZACIVSA-N 2 2 336.505 1.639 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)S1 ZINC000787383202 580694206 /nfs/dbraw/zinc/69/42/06/580694206.db2.gz DYSRWAXKAJINAM-CQSZACIVSA-N 2 2 336.505 1.639 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)S1 ZINC000792257024 580815358 /nfs/dbraw/zinc/81/53/58/580815358.db2.gz VMWDPDGFQBDUQF-ZDUSSCGKSA-N 2 2 337.489 1.971 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000792973497 580832620 /nfs/dbraw/zinc/83/26/20/580832620.db2.gz LZHROEJYTQAAJM-GJZGRUSLSA-N 2 2 338.452 1.796 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000792973497 580832621 /nfs/dbraw/zinc/83/26/21/580832621.db2.gz LZHROEJYTQAAJM-GJZGRUSLSA-N 2 2 338.452 1.796 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000795707529 580934886 /nfs/dbraw/zinc/93/48/86/580934886.db2.gz ODFXDOARKGOPTJ-OAGGEKHMSA-N 2 2 331.464 1.252 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)[C@@H]2C1 ZINC000891832632 590642320 /nfs/dbraw/zinc/64/23/20/590642320.db2.gz AXUZZSJLAPUHKR-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)[C@@H]2C1 ZINC000891832632 590642323 /nfs/dbraw/zinc/64/23/23/590642323.db2.gz AXUZZSJLAPUHKR-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cnc3n2CCOC3)CC1 ZINC000891845536 590651723 /nfs/dbraw/zinc/65/17/23/590651723.db2.gz QFCZBVDRJWPVHT-CALCHBBNSA-N 2 2 347.507 1.404 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cnc3n2CCOC3)CC1 ZINC000891845536 590651726 /nfs/dbraw/zinc/65/17/26/590651726.db2.gz QFCZBVDRJWPVHT-CALCHBBNSA-N 2 2 347.507 1.404 20 0 EDADLP C[C@@H](CNc1nc(NC[C@H](C)[NH+](C)C)[nH+]c(NC2CC2)n1)[NH+](C)C ZINC000892029627 590758661 /nfs/dbraw/zinc/75/86/61/590758661.db2.gz XSPFYJMOQRMNFR-RYUDHWBXSA-N 3 2 336.488 1.170 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH3+])C2)c1 ZINC000892044480 590768735 /nfs/dbraw/zinc/76/87/35/590768735.db2.gz KUJBKLJTUOOWQX-RDJZCZTQSA-N 2 2 334.464 1.090 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH3+])C2)c1 ZINC000892044480 590768736 /nfs/dbraw/zinc/76/87/36/590768736.db2.gz KUJBKLJTUOOWQX-RDJZCZTQSA-N 2 2 334.464 1.090 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000892064989 590780457 /nfs/dbraw/zinc/78/04/57/590780457.db2.gz JLKLBGXHXMPAKH-CYBMUJFWSA-N 2 2 326.391 1.669 20 0 EDADLP Cc1cc(N)nc(NCc2ccccc2OCC[NH+]2CCOCC2)[nH+]1 ZINC000892082552 590789364 /nfs/dbraw/zinc/78/93/64/590789364.db2.gz CFSUNMXHPZCDNC-UHFFFAOYSA-N 2 2 343.431 1.690 20 0 EDADLP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893660388 591038455 /nfs/dbraw/zinc/03/84/55/591038455.db2.gz CHUSKTVUXDLNGB-OGZRUICASA-N 2 2 341.496 1.892 20 0 EDADLP CC(C)(O)CC[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893685279 591045352 /nfs/dbraw/zinc/04/53/52/591045352.db2.gz KPYKGEOZKOCJFJ-UHFFFAOYSA-N 2 2 329.485 1.726 20 0 EDADLP CCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000891357519 591058252 /nfs/dbraw/zinc/05/82/52/591058252.db2.gz FQMHHNGHUNRHJS-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP CC1(C)CC[N@H+](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000892563808 591074681 /nfs/dbraw/zinc/07/46/81/591074681.db2.gz VSWQLJPFRFZGFP-UHFFFAOYSA-N 2 2 342.447 1.798 20 0 EDADLP CC1(C)CC[N@@H+](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000892563808 591074686 /nfs/dbraw/zinc/07/46/86/591074686.db2.gz VSWQLJPFRFZGFP-UHFFFAOYSA-N 2 2 342.447 1.798 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[NH+]1CCN(CC[NH+]3CCCC3)CC1)OCCO2 ZINC000891506343 591098979 /nfs/dbraw/zinc/09/89/79/591098979.db2.gz XDNHMPLJISCQOL-IAGOWNOFSA-N 2 2 341.471 1.334 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000893867419 591120631 /nfs/dbraw/zinc/12/06/31/591120631.db2.gz QKQPMDJWULXNMT-UHFFFAOYSA-N 3 2 341.544 1.242 20 0 EDADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000892670693 591121124 /nfs/dbraw/zinc/12/11/24/591121124.db2.gz XMSGSCUYHZKBQI-ZDUSSCGKSA-N 2 2 346.397 1.713 20 0 EDADLP COCC[N@H+](C)CCNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000892687330 591130550 /nfs/dbraw/zinc/13/05/50/591130550.db2.gz JWIWJMRVKQWYKV-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000892687330 591130554 /nfs/dbraw/zinc/13/05/54/591130554.db2.gz JWIWJMRVKQWYKV-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CNc1cc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nc[nH+]1 ZINC000891596799 591142321 /nfs/dbraw/zinc/14/23/21/591142321.db2.gz XKGOZXMDUJLXNM-UHFFFAOYSA-N 2 2 341.415 1.612 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892792424 591177345 /nfs/dbraw/zinc/17/73/45/591177345.db2.gz FJDHHUCFKYYSPO-MRXNPFEDSA-N 2 2 333.480 1.330 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892792424 591177347 /nfs/dbraw/zinc/17/73/47/591177347.db2.gz FJDHHUCFKYYSPO-MRXNPFEDSA-N 2 2 333.480 1.330 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000892794031 591181988 /nfs/dbraw/zinc/18/19/88/591181988.db2.gz QLAOCSXQWHNYLJ-ZDUSSCGKSA-N 2 2 337.493 1.448 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000892794031 591181991 /nfs/dbraw/zinc/18/19/91/591181991.db2.gz QLAOCSXQWHNYLJ-ZDUSSCGKSA-N 2 2 337.493 1.448 20 0 EDADLP C[NH+](C)CCCOC1CCN(c2nc(N)[nH+]c(C(C)(C)C)n2)CC1 ZINC000892815647 591191624 /nfs/dbraw/zinc/19/16/24/591191624.db2.gz GXGPODSOFMTOAM-UHFFFAOYSA-N 2 2 336.484 1.688 20 0 EDADLP Cc1cc[nH+]c(N)c1C[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000894207403 591229340 /nfs/dbraw/zinc/22/93/40/591229340.db2.gz WBRAWYGVZUHWOK-UHFFFAOYSA-N 2 2 339.443 1.411 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccnc(COC)n3)CC2)CC1 ZINC000894247172 591245610 /nfs/dbraw/zinc/24/56/10/591245610.db2.gz SLUSTBXMZGVXFJ-UHFFFAOYSA-N 2 2 333.480 1.619 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3ccnc(COC)n3)CC2)CC1 ZINC000894247172 591245612 /nfs/dbraw/zinc/24/56/12/591245612.db2.gz SLUSTBXMZGVXFJ-UHFFFAOYSA-N 2 2 333.480 1.619 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2I)CC[N@@H+]1C ZINC000894313972 591275458 /nfs/dbraw/zinc/27/54/58/591275458.db2.gz ZCFXCGRHSGRDLH-MWLCHTKSSA-N 2 2 348.232 1.597 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2I)CC[N@H+]1C ZINC000894313972 591275460 /nfs/dbraw/zinc/27/54/60/591275460.db2.gz ZCFXCGRHSGRDLH-MWLCHTKSSA-N 2 2 348.232 1.597 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895859024 591289414 /nfs/dbraw/zinc/28/94/14/591289414.db2.gz USBXOVSMOBMFOZ-GOSISDBHSA-N 2 2 345.443 1.178 20 0 EDADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894445302 591313557 /nfs/dbraw/zinc/31/35/57/591313557.db2.gz JGIZEJKLLVBUSC-KKUMJFAQSA-N 2 2 341.496 1.989 20 0 EDADLP CCc1nnc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000894451193 591315480 /nfs/dbraw/zinc/31/54/80/591315480.db2.gz FIBIQKUDIDEXLX-UHFFFAOYSA-N 2 2 337.493 1.087 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000894458875 591317641 /nfs/dbraw/zinc/31/76/41/591317641.db2.gz YTAZANKQSIJMFL-OAHLLOKOSA-N 2 2 327.469 1.336 20 0 EDADLP CN(Cc1cnc2n1CCOC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000894459876 591318416 /nfs/dbraw/zinc/31/84/16/591318416.db2.gz QVCBFJLGOVGQDY-INIZCTEOSA-N 2 2 333.480 1.014 20 0 EDADLP CN(Cc1cnc2n1CCOC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000894459876 591318418 /nfs/dbraw/zinc/31/84/18/591318418.db2.gz QVCBFJLGOVGQDY-INIZCTEOSA-N 2 2 333.480 1.014 20 0 EDADLP C[N@H+](Cc1cnc2n1CCOC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459876 591318420 /nfs/dbraw/zinc/31/84/20/591318420.db2.gz QVCBFJLGOVGQDY-INIZCTEOSA-N 2 2 333.480 1.014 20 0 EDADLP C[N@@H+](Cc1cnc2n1CCOC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459876 591318422 /nfs/dbraw/zinc/31/84/22/591318422.db2.gz QVCBFJLGOVGQDY-INIZCTEOSA-N 2 2 333.480 1.014 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)nc(C(C)C)[nH+]1 ZINC000895987376 591318741 /nfs/dbraw/zinc/31/87/41/591318741.db2.gz DVQVXRMYKWGCPG-HUUCEWRRSA-N 2 2 346.479 1.666 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)nc(C(C)C)[nH+]1 ZINC000895987376 591318745 /nfs/dbraw/zinc/31/87/45/591318745.db2.gz DVQVXRMYKWGCPG-HUUCEWRRSA-N 2 2 346.479 1.666 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC000895987372 591319067 /nfs/dbraw/zinc/31/90/67/591319067.db2.gz DVQVXRMYKWGCPG-CABCVRRESA-N 2 2 346.479 1.666 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)nc(C(C)C)[nH+]1 ZINC000895987372 591319069 /nfs/dbraw/zinc/31/90/69/591319069.db2.gz DVQVXRMYKWGCPG-CABCVRRESA-N 2 2 346.479 1.666 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)n[nH]1 ZINC000896008878 591322516 /nfs/dbraw/zinc/32/25/16/591322516.db2.gz HKPXEPISFGPBJR-INIZCTEOSA-N 2 2 328.420 1.850 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)n[nH]1 ZINC000896008878 591322519 /nfs/dbraw/zinc/32/25/19/591322519.db2.gz HKPXEPISFGPBJR-INIZCTEOSA-N 2 2 328.420 1.850 20 0 EDADLP CCOc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC000896031655 591325500 /nfs/dbraw/zinc/32/55/00/591325500.db2.gz WTAOABYEIIARPX-INIZCTEOSA-N 2 2 337.464 1.565 20 0 EDADLP CCO[C@H](CNc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)C[NH+](C)C ZINC000896114074 591348562 /nfs/dbraw/zinc/34/85/62/591348562.db2.gz WCESTPQYYGXZLU-LLVKDONJSA-N 2 2 335.456 1.542 20 0 EDADLP CCO[C@@H](CNc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)C[NH+](C)C ZINC000896114075 591348754 /nfs/dbraw/zinc/34/87/54/591348754.db2.gz WCESTPQYYGXZLU-NSHDSACASA-N 2 2 335.456 1.542 20 0 EDADLP O=c1oc2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2o1 ZINC000894675381 591386877 /nfs/dbraw/zinc/38/68/77/591386877.db2.gz FEKHWSLSWYDXIO-OAHLLOKOSA-N 2 2 332.400 1.930 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000896241236 591398293 /nfs/dbraw/zinc/39/82/93/591398293.db2.gz VYQZFKSBQDEGOH-SUMDDJOVSA-N 2 2 328.460 1.766 20 0 EDADLP C[NH+]1C[C@@H]2CN(C(=O)NC[C@@H]3c4ccccc4C[N@H+]3C)C[C@]2(C)C1 ZINC000896241236 591398297 /nfs/dbraw/zinc/39/82/97/591398297.db2.gz VYQZFKSBQDEGOH-SUMDDJOVSA-N 2 2 328.460 1.766 20 0 EDADLP C[NH+]1C[C@@H]2CN(C(=O)NC[C@@H]3c4ccccc4C[N@@H+]3C)C[C@]2(C)C1 ZINC000896241236 591398301 /nfs/dbraw/zinc/39/83/01/591398301.db2.gz VYQZFKSBQDEGOH-SUMDDJOVSA-N 2 2 328.460 1.766 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH2+]Cc2cc(N(C)C)cc[nH+]2)c1C ZINC000896299079 591412487 /nfs/dbraw/zinc/41/24/87/591412487.db2.gz QPIZBLIOFOSMOG-UHFFFAOYSA-N 2 2 345.447 1.814 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(c2nc(N)[nH+]c(C(C)(C)C)n2)CC1 ZINC000894809194 591425379 /nfs/dbraw/zinc/42/53/79/591425379.db2.gz UXXSWTVFCHINQB-UHFFFAOYSA-N 2 2 348.495 1.833 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC([NH+]3CCCC3)C2)cc1 ZINC000898598526 591430956 /nfs/dbraw/zinc/43/09/56/591430956.db2.gz CMMSBDUPMXLHJA-SFHVURJKSA-N 2 2 329.444 1.576 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC([NH+]3CCCC3)C2)cc1 ZINC000898598526 591430957 /nfs/dbraw/zinc/43/09/57/591430957.db2.gz CMMSBDUPMXLHJA-SFHVURJKSA-N 2 2 329.444 1.576 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000898627799 591441623 /nfs/dbraw/zinc/44/16/23/591441623.db2.gz NTOQEKKQHDUDGG-UHFFFAOYSA-N 2 2 349.479 1.454 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896375481 591443206 /nfs/dbraw/zinc/44/32/06/591443206.db2.gz KPEKCGKQBZRSSO-YJBOKZPZSA-N 2 2 344.459 1.008 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000898632527 591454016 /nfs/dbraw/zinc/45/40/16/591454016.db2.gz AGPGRUYRFLOKCF-UHFFFAOYSA-N 2 2 345.422 1.977 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000898632527 591454019 /nfs/dbraw/zinc/45/40/19/591454019.db2.gz AGPGRUYRFLOKCF-UHFFFAOYSA-N 2 2 345.422 1.977 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)C1 ZINC000897469301 591471385 /nfs/dbraw/zinc/47/13/85/591471385.db2.gz HVMVQXATNQDBBF-WBVHZDCISA-N 2 2 343.475 1.917 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)C1 ZINC000897469301 591471388 /nfs/dbraw/zinc/47/13/88/591471388.db2.gz HVMVQXATNQDBBF-WBVHZDCISA-N 2 2 343.475 1.917 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897482205 591488619 /nfs/dbraw/zinc/48/86/19/591488619.db2.gz NMDHTWPMMTYYLP-DLBZAZTESA-N 2 2 345.491 1.954 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897482205 591488623 /nfs/dbraw/zinc/48/86/23/591488623.db2.gz NMDHTWPMMTYYLP-DLBZAZTESA-N 2 2 345.491 1.954 20 0 EDADLP CCc1cc(N2CCC(O)(C[NH+](C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000894955645 591491026 /nfs/dbraw/zinc/49/10/26/591491026.db2.gz SKWOLEGFYPRIFO-UHFFFAOYSA-N 2 2 341.459 1.994 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)n1C ZINC000895004453 591515496 /nfs/dbraw/zinc/51/54/96/591515496.db2.gz AOYVLZFDLORDTF-CVEARBPZSA-N 2 2 327.432 1.187 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)n1C ZINC000895004453 591515498 /nfs/dbraw/zinc/51/54/98/591515498.db2.gz AOYVLZFDLORDTF-CVEARBPZSA-N 2 2 327.432 1.187 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C[C@@H]1O ZINC000897676822 591616252 /nfs/dbraw/zinc/61/62/52/591616252.db2.gz ZFVKVXAIIJNERI-MFKMUULPSA-N 2 2 328.359 1.882 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C[C@@H]1O ZINC000897676822 591616255 /nfs/dbraw/zinc/61/62/55/591616255.db2.gz ZFVKVXAIIJNERI-MFKMUULPSA-N 2 2 328.359 1.882 20 0 EDADLP C[N@H+](CCNc1[nH+]ccc2c3c([nH]c21)CCCC3)CCOCCO ZINC000895155499 591622725 /nfs/dbraw/zinc/62/27/25/591622725.db2.gz JIAYJFHWKKEOAG-UHFFFAOYSA-N 2 2 332.448 1.794 20 0 EDADLP C[N@@H+](CCNc1[nH+]ccc2c3c([nH]c21)CCCC3)CCOCCO ZINC000895155499 591622727 /nfs/dbraw/zinc/62/27/27/591622727.db2.gz JIAYJFHWKKEOAG-UHFFFAOYSA-N 2 2 332.448 1.794 20 0 EDADLP COCCOc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)o1 ZINC000895472660 591769466 /nfs/dbraw/zinc/76/94/66/591769466.db2.gz IZVCSMITCALLAZ-HNNXBMFYSA-N 2 2 326.437 1.847 20 0 EDADLP COCCOc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)o1 ZINC000895472660 591769469 /nfs/dbraw/zinc/76/94/69/591769469.db2.gz IZVCSMITCALLAZ-HNNXBMFYSA-N 2 2 326.437 1.847 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)C1C[NH+](C2CCOCC2)C1 ZINC000895563643 591803331 /nfs/dbraw/zinc/80/33/31/591803331.db2.gz JWCGAVHHMNENMH-UHFFFAOYSA-N 2 2 328.416 1.104 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332377 591874946 /nfs/dbraw/zinc/87/49/46/591874946.db2.gz MIHWGJSSINQIEW-NVXWUHKLSA-N 2 2 342.443 1.449 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898332377 591874948 /nfs/dbraw/zinc/87/49/48/591874948.db2.gz MIHWGJSSINQIEW-NVXWUHKLSA-N 2 2 342.443 1.449 20 0 EDADLP [NH2+]=C(NOCc1cnns1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000902325623 591979154 /nfs/dbraw/zinc/97/91/54/591979154.db2.gz RWSLEBLZZVNHSA-CQSZACIVSA-N 2 2 333.417 1.438 20 0 EDADLP C/C(=C/C(=O)NCC[NH+]1Cc2ccccc2C1)C[NH+]1CCOCC1 ZINC000900367365 591998334 /nfs/dbraw/zinc/99/83/34/591998334.db2.gz OPAGYUULFMKHMO-VBKFSLOCSA-N 2 2 329.444 1.397 20 0 EDADLP C[C@H](O)CNc1cc(N2CCC([C@H]3CCC[NH2+]CC3)CC2)nc[nH+]1 ZINC000900383190 592002324 /nfs/dbraw/zinc/00/23/24/592002324.db2.gz ZPGUCFNMRBMZPO-GJZGRUSLSA-N 2 2 333.480 1.875 20 0 EDADLP C[C@H](O)CNc1cc(N2CCC([C@H]3CCC[NH2+]CC3)CC2)[nH+]cn1 ZINC000900383190 592002326 /nfs/dbraw/zinc/00/23/26/592002326.db2.gz ZPGUCFNMRBMZPO-GJZGRUSLSA-N 2 2 333.480 1.875 20 0 EDADLP CC[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)[C@@H]1CCC[NH2+]1 ZINC000902514222 592008425 /nfs/dbraw/zinc/00/84/25/592008425.db2.gz MQYATEONLAKFGG-HOTGVXAUSA-N 2 2 325.478 1.703 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC(C(C)(C)C[NH3+])CC3)[nH+]cn2)C1 ZINC000900408583 592010973 /nfs/dbraw/zinc/01/09/73/592010973.db2.gz WHYATHGEDOUNDB-GJZGRUSLSA-N 2 2 347.507 1.885 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC(C(C)(C)C[NH3+])CC3)nc[nH+]2)C1 ZINC000900408583 592010974 /nfs/dbraw/zinc/01/09/74/592010974.db2.gz WHYATHGEDOUNDB-GJZGRUSLSA-N 2 2 347.507 1.885 20 0 EDADLP O=C(CNc1cccc[nH+]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000900437927 592018210 /nfs/dbraw/zinc/01/82/10/592018210.db2.gz GEVVPPGPTUWQQW-UHFFFAOYSA-N 2 2 332.448 1.454 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000900548339 592045427 /nfs/dbraw/zinc/04/54/27/592045427.db2.gz CXIBYDOIKMTBEA-INIZCTEOSA-N 2 2 327.432 1.808 20 0 EDADLP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cn(C)nn1 ZINC000902720300 592051989 /nfs/dbraw/zinc/05/19/89/592051989.db2.gz FSXZKGYIMVJYKP-UKRRQHHQSA-N 2 2 334.493 1.516 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000900592545 592062174 /nfs/dbraw/zinc/06/21/74/592062174.db2.gz ZFNWPNLCIWSGKI-YLJYHZDGSA-N 2 2 345.487 1.565 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000900592545 592062175 /nfs/dbraw/zinc/06/21/75/592062175.db2.gz ZFNWPNLCIWSGKI-YLJYHZDGSA-N 2 2 345.487 1.565 20 0 EDADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000900592545 592062178 /nfs/dbraw/zinc/06/21/78/592062178.db2.gz ZFNWPNLCIWSGKI-YLJYHZDGSA-N 2 2 345.487 1.565 20 0 EDADLP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000900592545 592062181 /nfs/dbraw/zinc/06/21/81/592062181.db2.gz ZFNWPNLCIWSGKI-YLJYHZDGSA-N 2 2 345.487 1.565 20 0 EDADLP Cc1ccc([C@@H](O)Cn2cc(C[NH2+]C3CC[NH+](C)CC3)nn2)cc1 ZINC000900583545 592069314 /nfs/dbraw/zinc/06/93/14/592069314.db2.gz TUEOTIAAEFCSBV-SFHVURJKSA-N 2 2 329.448 1.504 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000900667011 592086197 /nfs/dbraw/zinc/08/61/97/592086197.db2.gz KYKTXKDMYSGWHS-DOTOQJQBSA-N 2 2 341.496 1.007 20 0 EDADLP CCn1c[nH+]c2c1CCN(C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)C2 ZINC000900727936 592097623 /nfs/dbraw/zinc/09/76/23/592097623.db2.gz MLLILNOBJLXHJJ-QGZVFWFLSA-N 2 2 334.464 1.581 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000900744478 592115696 /nfs/dbraw/zinc/11/56/96/592115696.db2.gz KZLADSPSHMATJK-YOEHRIQHSA-N 2 2 328.416 1.219 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000900744478 592115698 /nfs/dbraw/zinc/11/56/98/592115698.db2.gz KZLADSPSHMATJK-YOEHRIQHSA-N 2 2 328.416 1.219 20 0 EDADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]CC[N@H+](C)CCOCCO ZINC000903089963 592118567 /nfs/dbraw/zinc/11/85/67/592118567.db2.gz XTFYVFHXXQEJKJ-HNAYVOBHSA-N 2 2 336.476 1.849 20 0 EDADLP COc1ccc2c(c1)C[C@H](C)C[C@H]2[NH2+]CC[N@@H+](C)CCOCCO ZINC000903089963 592118568 /nfs/dbraw/zinc/11/85/68/592118568.db2.gz XTFYVFHXXQEJKJ-HNAYVOBHSA-N 2 2 336.476 1.849 20 0 EDADLP CCN(C(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000903194750 592133587 /nfs/dbraw/zinc/13/35/87/592133587.db2.gz HZLOCHPSFIBXAZ-SFHVURJKSA-N 2 2 331.460 1.882 20 0 EDADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903289867 592153800 /nfs/dbraw/zinc/15/38/00/592153800.db2.gz UOXVHADOSCFLIN-HNNXBMFYSA-N 2 2 348.472 1.949 20 0 EDADLP Cc1cccn2cc(CCNC(=O)c3ccnn3CC[NH+](C)C)[nH+]c12 ZINC000900922700 592163643 /nfs/dbraw/zinc/16/36/43/592163643.db2.gz JYKLRRAKSOIPBG-UHFFFAOYSA-N 2 2 340.431 1.373 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C[C@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000903435377 592169595 /nfs/dbraw/zinc/16/95/95/592169595.db2.gz RGBIVWXJBXNUBY-QZTJIDSGSA-N 2 2 349.475 1.847 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C[C@H]2CCC[NH2+]2)C(C)C)cc1 ZINC000903435377 592169596 /nfs/dbraw/zinc/16/95/96/592169596.db2.gz RGBIVWXJBXNUBY-QZTJIDSGSA-N 2 2 349.475 1.847 20 0 EDADLP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)C[C@@H]21 ZINC000903454193 592173768 /nfs/dbraw/zinc/17/37/68/592173768.db2.gz XCGOWBHVDUAKPT-DEZZGGKRSA-N 2 2 337.418 1.852 20 0 EDADLP COCc1cccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903484958 592177782 /nfs/dbraw/zinc/17/77/82/592177782.db2.gz HBIGQQZDAKVYDE-QGZVFWFLSA-N 2 2 331.460 1.714 20 0 EDADLP Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)c(C)c1 ZINC000903568096 592223834 /nfs/dbraw/zinc/22/38/34/592223834.db2.gz HPMBSAXDCXGTCJ-UHFFFAOYSA-N 2 2 325.478 1.313 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000906661865 592244657 /nfs/dbraw/zinc/24/46/57/592244657.db2.gz YXXGFTXDZYSWTL-AWEZNQCLSA-N 2 2 338.452 1.357 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000906661865 592244659 /nfs/dbraw/zinc/24/46/59/592244659.db2.gz YXXGFTXDZYSWTL-AWEZNQCLSA-N 2 2 338.452 1.357 20 0 EDADLP CCCC[NH+](C)CCNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000906661865 592244661 /nfs/dbraw/zinc/24/46/61/592244661.db2.gz YXXGFTXDZYSWTL-AWEZNQCLSA-N 2 2 338.452 1.357 20 0 EDADLP CCCC[NH+](C)CCNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000906661865 592244663 /nfs/dbraw/zinc/24/46/63/592244663.db2.gz YXXGFTXDZYSWTL-AWEZNQCLSA-N 2 2 338.452 1.357 20 0 EDADLP CCOc1cc(C[NH2+]CC2([NH3+])CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000904450349 592263924 /nfs/dbraw/zinc/26/39/24/592263924.db2.gz PMHGGGGTBQGDES-CYBMUJFWSA-N 2 2 335.448 1.522 20 0 EDADLP Cc1ccc(NC(=O)CCN2CC[NH+](C(C)C)CC2)c(N(C)C)[nH+]1 ZINC000901176572 592278407 /nfs/dbraw/zinc/27/84/07/592278407.db2.gz JFVYPTYQENQJHC-UHFFFAOYSA-N 2 2 333.480 1.811 20 0 EDADLP [NH3+]C[C@@H]1C[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CO1 ZINC000904558517 592279474 /nfs/dbraw/zinc/27/94/74/592279474.db2.gz PYKLABXAXKUCEI-GJZGRUSLSA-N 2 2 325.372 1.813 20 0 EDADLP Cn1cc[nH+]c1CN(C[C@H]1CCCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000903746068 592293058 /nfs/dbraw/zinc/29/30/58/592293058.db2.gz VNKIDDNVUYZACB-IRXDYDNUSA-N 3 2 331.508 1.754 20 0 EDADLP [NH3+][C@]1(c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)C[C@H]1c1ccccc1 ZINC000904640008 592301535 /nfs/dbraw/zinc/30/15/35/592301535.db2.gz XIWIBQPNIPQMJW-YRBFXIGRSA-N 2 2 326.400 1.947 20 0 EDADLP [NH3+][C@]1(c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)C[C@H]1c1ccccc1 ZINC000904640008 592301541 /nfs/dbraw/zinc/30/15/41/592301541.db2.gz XIWIBQPNIPQMJW-YRBFXIGRSA-N 2 2 326.400 1.947 20 0 EDADLP CCc1[nH+]c2ccccc2n1Cc1noc([C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000904682918 592305879 /nfs/dbraw/zinc/30/58/79/592305879.db2.gz NPGFQPUMHSZKPY-NEPJUHHUSA-N 2 2 327.388 1.861 20 0 EDADLP COCc1n[nH]c([C@H]2CCCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903758808 592314729 /nfs/dbraw/zinc/31/47/29/592314729.db2.gz MWTNHGURQDMXEW-LSDHHAIUSA-N 2 2 349.479 1.637 20 0 EDADLP COCc1n[nH]c([C@H]2CCCC[N@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903758808 592314735 /nfs/dbraw/zinc/31/47/35/592314735.db2.gz MWTNHGURQDMXEW-LSDHHAIUSA-N 2 2 349.479 1.637 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903775029 592317977 /nfs/dbraw/zinc/31/79/77/592317977.db2.gz FQFFAGLAESHJCG-QZTJIDSGSA-N 3 2 337.508 1.332 20 0 EDADLP [NH3+][C@H]1CC[C@@H](Cc2noc([C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)n2)C1 ZINC000904740634 592319807 /nfs/dbraw/zinc/31/98/07/592319807.db2.gz CIKPAHNGWPSXID-BARDWOONSA-N 2 2 336.436 1.292 20 0 EDADLP [NH3+]CC[C@@H]1CC[N@H+](CCS(=O)(=O)c2nc3ccccc3s2)C1 ZINC000903788339 592323538 /nfs/dbraw/zinc/32/35/38/592323538.db2.gz IVSMCJPHRAXTHG-GFCCVEGCSA-N 2 2 339.486 1.741 20 0 EDADLP [NH3+]CC[C@@H]1CC[N@@H+](CCS(=O)(=O)c2nc3ccccc3s2)C1 ZINC000903788339 592323542 /nfs/dbraw/zinc/32/35/42/592323542.db2.gz IVSMCJPHRAXTHG-GFCCVEGCSA-N 2 2 339.486 1.741 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)[C@H]1C ZINC000903815885 592324404 /nfs/dbraw/zinc/32/44/04/592324404.db2.gz UDCWJVTUCJQLQI-IKGGRYGDSA-N 2 2 337.508 1.772 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CC[NH2+]CCC23CCOCC3)[C@H]1C ZINC000903815885 592324409 /nfs/dbraw/zinc/32/44/09/592324409.db2.gz UDCWJVTUCJQLQI-IKGGRYGDSA-N 2 2 337.508 1.772 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]4CC[C@]43C[NH3+])CC2)c1 ZINC000903855119 592347038 /nfs/dbraw/zinc/34/70/38/592347038.db2.gz LORQEAWEAOYKAU-XLIONFOSSA-N 2 2 342.487 1.457 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H]4CC[C@]43C[NH3+])CC2)c1 ZINC000903855119 592347043 /nfs/dbraw/zinc/34/70/43/592347043.db2.gz LORQEAWEAOYKAU-XLIONFOSSA-N 2 2 342.487 1.457 20 0 EDADLP CON1CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000905004150 592364187 /nfs/dbraw/zinc/36/41/87/592364187.db2.gz CIBXBZPTSLXFHJ-SJORKVTESA-N 2 2 328.416 1.993 20 0 EDADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc2c1OCCO2 ZINC000903974034 592397752 /nfs/dbraw/zinc/39/77/52/592397752.db2.gz KCFJSVDDGHVUSY-OAHLLOKOSA-N 2 2 348.443 1.715 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)[NH+](C)C ZINC000905230340 592458374 /nfs/dbraw/zinc/45/83/74/592458374.db2.gz PIRCJCBHRFVZMM-NBMJBFSESA-N 2 2 336.476 1.478 20 0 EDADLP Cc1ccc(OCC(=O)N2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000904337939 592475549 /nfs/dbraw/zinc/47/55/49/592475549.db2.gz JHVZCYCIYAVEBQ-HXUWFJFHSA-N 2 2 345.487 1.908 20 0 EDADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccnc2N2CCCC2)CC1 ZINC000905293798 592486720 /nfs/dbraw/zinc/48/67/20/592486720.db2.gz LZWPKAAFMJFIFO-UHFFFAOYSA-N 2 2 332.452 1.226 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)CC1CCCC1 ZINC000905447090 592528626 /nfs/dbraw/zinc/52/86/26/592528626.db2.gz NYUFSAKEGMDSDO-RTBURBONSA-N 2 2 339.524 1.314 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@@H]3CC(=O)N(C)C3)c2cc1C ZINC000905527325 592561999 /nfs/dbraw/zinc/56/19/99/592561999.db2.gz AJDBNVZGHRYZLA-CVEARBPZSA-N 2 2 344.459 1.472 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=S)NC2CC[NH+](C)CC2)n1 ZINC000905619605 592587350 /nfs/dbraw/zinc/58/73/50/592587350.db2.gz OMSOPNJORUNHFH-UHFFFAOYSA-N 2 2 327.523 1.263 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000905656050 592598255 /nfs/dbraw/zinc/59/82/55/592598255.db2.gz CMDGOCMZMYEFSG-CABCVRRESA-N 2 2 328.526 1.046 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC000905656050 592598257 /nfs/dbraw/zinc/59/82/57/592598257.db2.gz CMDGOCMZMYEFSG-CABCVRRESA-N 2 2 328.526 1.046 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000907373957 592615403 /nfs/dbraw/zinc/61/54/03/592615403.db2.gz QUVHCKBESJSGGG-WSTZPKSXSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000907373957 592615405 /nfs/dbraw/zinc/61/54/05/592615405.db2.gz QUVHCKBESJSGGG-WSTZPKSXSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000907373957 592615407 /nfs/dbraw/zinc/61/54/07/592615407.db2.gz QUVHCKBESJSGGG-WSTZPKSXSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000907373957 592615410 /nfs/dbraw/zinc/61/54/10/592615410.db2.gz QUVHCKBESJSGGG-WSTZPKSXSA-N 2 2 345.487 1.565 20 0 EDADLP CS(=O)(=O)c1ccccc1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905702029 592615544 /nfs/dbraw/zinc/61/55/44/592615544.db2.gz DARSOLVGWGHDLM-IYBDPMFKSA-N 2 2 349.500 1.495 20 0 EDADLP CS(=O)(=O)c1ccccc1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905702029 592615547 /nfs/dbraw/zinc/61/55/47/592615547.db2.gz DARSOLVGWGHDLM-IYBDPMFKSA-N 2 2 349.500 1.495 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000907744557 592768678 /nfs/dbraw/zinc/76/86/78/592768678.db2.gz TUKPOYQKONDNSS-QGZVFWFLSA-N 2 2 348.491 1.377 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)C1 ZINC000910280519 592819249 /nfs/dbraw/zinc/81/92/49/592819249.db2.gz BUSMAGKNNWHTGO-ZDUSSCGKSA-N 2 2 344.463 1.591 20 0 EDADLP CC[N@H+]1CCCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)C1 ZINC000910280519 592819251 /nfs/dbraw/zinc/81/92/51/592819251.db2.gz BUSMAGKNNWHTGO-ZDUSSCGKSA-N 2 2 344.463 1.591 20 0 EDADLP Cc1ccc([C@H](C)N(C)C(=O)C(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000911411377 592914333 /nfs/dbraw/zinc/91/43/33/592914333.db2.gz NXAFRUBRNNPNMO-HNNXBMFYSA-N 2 2 346.475 1.054 20 0 EDADLP C[C@H](CC1CCCCC1)NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911114503 592935585 /nfs/dbraw/zinc/93/55/85/592935585.db2.gz MYKZJTATJLVKDD-CQSZACIVSA-N 2 2 338.496 1.001 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000911900457 593028483 /nfs/dbraw/zinc/02/84/83/593028483.db2.gz PAXDPGRJIOQOJL-MOPGFXCFSA-N 2 2 343.471 1.092 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000807575127 593182425 /nfs/dbraw/zinc/18/24/25/593182425.db2.gz BFYQNBHBUCBBLV-LBPRGKRZSA-N 2 2 327.498 1.145 20 0 EDADLP CCn1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000839005776 593250881 /nfs/dbraw/zinc/25/08/81/593250881.db2.gz ACCAKKIQBQGKPV-GOSISDBHSA-N 2 2 329.448 1.545 20 0 EDADLP CCn1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000839005776 593250883 /nfs/dbraw/zinc/25/08/83/593250883.db2.gz ACCAKKIQBQGKPV-GOSISDBHSA-N 2 2 329.448 1.545 20 0 EDADLP O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000810038384 593376683 /nfs/dbraw/zinc/37/66/83/593376683.db2.gz UIMKPCALGFQDHR-JKSUJKDBSA-N 2 2 325.453 1.186 20 0 EDADLP O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000810038384 593376685 /nfs/dbraw/zinc/37/66/85/593376685.db2.gz UIMKPCALGFQDHR-JKSUJKDBSA-N 2 2 325.453 1.186 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C[C@](C)(c3ccccn3)CC2=O)C1 ZINC000758242425 593398442 /nfs/dbraw/zinc/39/84/42/593398442.db2.gz MXXWJHDDDRGGQW-HNAYVOBHSA-N 2 2 339.443 1.752 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C[C@](C)(c3ccccn3)CC2=O)C1 ZINC000758242425 593398446 /nfs/dbraw/zinc/39/84/46/593398446.db2.gz MXXWJHDDDRGGQW-HNAYVOBHSA-N 2 2 339.443 1.752 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804438025 593414866 /nfs/dbraw/zinc/41/48/66/593414866.db2.gz KSMAUAPNALXBJI-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000804438025 593414868 /nfs/dbraw/zinc/41/48/68/593414868.db2.gz KSMAUAPNALXBJI-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC([NH+](C)Cc3ccccc3)C2)CCO1 ZINC000806665634 593463177 /nfs/dbraw/zinc/46/31/77/593463177.db2.gz PHGZVTPMLSITQL-MRXNPFEDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC([NH+](C)Cc3ccccc3)C2)CCO1 ZINC000806665634 593463179 /nfs/dbraw/zinc/46/31/79/593463179.db2.gz PHGZVTPMLSITQL-MRXNPFEDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CCO1 ZINC000806665634 593463180 /nfs/dbraw/zinc/46/31/80/593463180.db2.gz PHGZVTPMLSITQL-MRXNPFEDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CCO1 ZINC000806665634 593463182 /nfs/dbraw/zinc/46/31/82/593463182.db2.gz PHGZVTPMLSITQL-MRXNPFEDSA-N 2 2 346.475 1.233 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000816750880 593547504 /nfs/dbraw/zinc/54/75/04/593547504.db2.gz USLQXHNLOMSDBU-HOTGVXAUSA-N 2 2 341.415 1.203 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000816750880 593547506 /nfs/dbraw/zinc/54/75/06/593547506.db2.gz USLQXHNLOMSDBU-HOTGVXAUSA-N 2 2 341.415 1.203 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](O)c3ccccc3)CC2)CC1 ZINC000817656776 593620573 /nfs/dbraw/zinc/62/05/73/593620573.db2.gz PJRQNXOPFIKVEJ-LJQANCHMSA-N 2 2 345.487 1.739 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](O)c3ccccc3)CC2)CC1 ZINC000817656776 593620574 /nfs/dbraw/zinc/62/05/74/593620574.db2.gz PJRQNXOPFIKVEJ-LJQANCHMSA-N 2 2 345.487 1.739 20 0 EDADLP Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000819078180 593737521 /nfs/dbraw/zinc/73/75/21/593737521.db2.gz TUFOBPQDHOTJGS-MOPGFXCFSA-N 2 2 333.476 1.025 20 0 EDADLP CN1CC[NH+](C[C@H](O)CNc2ccc([NH+]3CCCCC3)cc2)CC1 ZINC000819393161 593753451 /nfs/dbraw/zinc/75/34/51/593753451.db2.gz PEFIAGNRGUXUID-LJQANCHMSA-N 2 2 332.492 1.697 20 0 EDADLP C[NH+]1CCN(C[C@H](O)CNc2ccc([NH+]3CCCCC3)cc2)CC1 ZINC000819393161 593753452 /nfs/dbraw/zinc/75/34/52/593753452.db2.gz PEFIAGNRGUXUID-LJQANCHMSA-N 2 2 332.492 1.697 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000820092477 593790472 /nfs/dbraw/zinc/79/04/72/593790472.db2.gz MJWUIAHFODQLHE-CYBMUJFWSA-N 2 2 336.465 1.375 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000820092477 593790473 /nfs/dbraw/zinc/79/04/73/593790473.db2.gz MJWUIAHFODQLHE-CYBMUJFWSA-N 2 2 336.465 1.375 20 0 EDADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000823705814 593838618 /nfs/dbraw/zinc/83/86/18/593838618.db2.gz HLPPQCQHCDFNQF-CABCVRRESA-N 2 2 346.435 1.317 20 0 EDADLP CO[C@]12CCC[C@@]1(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CCO2 ZINC000820608219 593843394 /nfs/dbraw/zinc/84/33/94/593843394.db2.gz DWFPPPMHTWUFET-ROUUACIJSA-N 2 2 339.480 1.062 20 0 EDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000823798823 593861796 /nfs/dbraw/zinc/86/17/96/593861796.db2.gz YZVISJSIWWIPAX-STQMWFEESA-N 2 2 335.415 1.876 20 0 EDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000823798823 593861798 /nfs/dbraw/zinc/86/17/98/593861798.db2.gz YZVISJSIWWIPAX-STQMWFEESA-N 2 2 335.415 1.876 20 0 EDADLP c1cn(-c2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cn2)c[nH+]1 ZINC000823809893 593865129 /nfs/dbraw/zinc/86/51/29/593865129.db2.gz RONKZSSIRCKJMK-UHFFFAOYSA-N 2 2 338.400 1.799 20 0 EDADLP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)ccc1F ZINC000821587013 593871270 /nfs/dbraw/zinc/87/12/70/593871270.db2.gz BTLSEGNOKDOJSR-UHFFFAOYSA-N 2 2 330.367 1.950 20 0 EDADLP COc1cc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)on1 ZINC000820807804 593894561 /nfs/dbraw/zinc/89/45/61/593894561.db2.gz RKRGXGQBDKMJIS-CYBMUJFWSA-N 2 2 331.420 1.681 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000821348018 594024189 /nfs/dbraw/zinc/02/41/89/594024189.db2.gz KYKBBYULBWFLAA-RBUKOAKNSA-N 2 2 336.476 1.371 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000821348018 594024191 /nfs/dbraw/zinc/02/41/91/594024191.db2.gz KYKBBYULBWFLAA-RBUKOAKNSA-N 2 2 336.476 1.371 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553283 594037656 /nfs/dbraw/zinc/03/76/56/594037656.db2.gz BAGQQSBZKGVXIH-PWSUYJOCSA-N 2 2 327.367 1.868 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[N@@H+]1C ZINC000824885645 594090960 /nfs/dbraw/zinc/09/09/60/594090960.db2.gz UAYPHIAKRYZHKO-OCCSQVGLSA-N 2 2 340.435 1.429 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[N@H+]1C ZINC000824885645 594090962 /nfs/dbraw/zinc/09/09/62/594090962.db2.gz UAYPHIAKRYZHKO-OCCSQVGLSA-N 2 2 340.435 1.429 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[NH+]1C ZINC000824885645 594090964 /nfs/dbraw/zinc/09/09/64/594090964.db2.gz UAYPHIAKRYZHKO-OCCSQVGLSA-N 2 2 340.435 1.429 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[NH+]1C ZINC000824885645 594090965 /nfs/dbraw/zinc/09/09/65/594090965.db2.gz UAYPHIAKRYZHKO-OCCSQVGLSA-N 2 2 340.435 1.429 20 0 EDADLP CO[C@H](C[NH3+])Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000822951410 594127710 /nfs/dbraw/zinc/12/77/10/594127710.db2.gz SBVPIWHMQCEVQW-GJZGRUSLSA-N 2 2 332.404 1.159 20 0 EDADLP CO[C@H](C[NH3+])Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000822951410 594127711 /nfs/dbraw/zinc/12/77/11/594127711.db2.gz SBVPIWHMQCEVQW-GJZGRUSLSA-N 2 2 332.404 1.159 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]1 ZINC000825180713 594143318 /nfs/dbraw/zinc/14/33/18/594143318.db2.gz OBWLOCIGXBOWPY-KRWDZBQOSA-N 2 2 348.410 1.757 20 0 EDADLP Cc1cc(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)no1 ZINC000828141160 594349833 /nfs/dbraw/zinc/34/98/33/594349833.db2.gz KWYUZOMVYRKWAH-UHFFFAOYSA-N 2 2 329.404 1.701 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000828269031 594379033 /nfs/dbraw/zinc/37/90/33/594379033.db2.gz MHTPMJWNIKHWIZ-UHFFFAOYSA-N 2 2 346.406 1.751 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2C[N@H+](CC(C)C)CCO2)[nH+]1 ZINC000826275483 594407106 /nfs/dbraw/zinc/40/71/06/594407106.db2.gz AULDEWYDOSFOKR-ZDUSSCGKSA-N 2 2 331.424 1.339 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2C[N@@H+](CC(C)C)CCO2)[nH+]1 ZINC000826275483 594407108 /nfs/dbraw/zinc/40/71/08/594407108.db2.gz AULDEWYDOSFOKR-ZDUSSCGKSA-N 2 2 331.424 1.339 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]1 ZINC000826276238 594408218 /nfs/dbraw/zinc/40/82/18/594408218.db2.gz YGZJMERPHJZVNA-ZDUSSCGKSA-N 2 2 329.408 1.235 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)c1ccc(F)cc1F)CCO2 ZINC000830637801 594444572 /nfs/dbraw/zinc/44/45/72/594444572.db2.gz PDRKTCRKGSTBSI-MRXNPFEDSA-N 2 2 326.387 1.795 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)CCO2 ZINC000830637801 594444574 /nfs/dbraw/zinc/44/45/74/594444574.db2.gz PDRKTCRKGSTBSI-MRXNPFEDSA-N 2 2 326.387 1.795 20 0 EDADLP [NH3+]CCCCCCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000831256966 594593153 /nfs/dbraw/zinc/59/31/53/594593153.db2.gz NGHSZUUZHGKXTG-UHFFFAOYSA-N 2 2 339.509 1.880 20 0 EDADLP [NH3+]CCCCCCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000831256966 594593155 /nfs/dbraw/zinc/59/31/55/594593155.db2.gz NGHSZUUZHGKXTG-UHFFFAOYSA-N 2 2 339.509 1.880 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)[NH+]2CCOCC2)c1 ZINC000827025033 594625902 /nfs/dbraw/zinc/62/59/02/594625902.db2.gz ZAUILBDUABRVRA-ZWKOTPCHSA-N 2 2 331.460 1.612 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+]3CCOCC3)CC[C@@H]21 ZINC000827312692 594660490 /nfs/dbraw/zinc/66/04/90/594660490.db2.gz WFDGXRAEQHJAOH-MJGOQNOKSA-N 2 2 343.471 1.685 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+]3CCOCC3)CC[C@@H]21 ZINC000827312692 594660491 /nfs/dbraw/zinc/66/04/91/594660491.db2.gz WFDGXRAEQHJAOH-MJGOQNOKSA-N 2 2 343.471 1.685 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)n1cc[nH+]c1 ZINC000827429924 594671107 /nfs/dbraw/zinc/67/11/07/594671107.db2.gz KFLKHRZLLNMDPZ-SFHVURJKSA-N 2 2 347.507 1.709 20 0 EDADLP CN1CC[NH+](C2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)CC1 ZINC000827456292 594673924 /nfs/dbraw/zinc/67/39/24/594673924.db2.gz HWGUPCSLSYRXQP-UHFFFAOYSA-N 2 2 327.432 1.186 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)n1C ZINC000840905768 594826116 /nfs/dbraw/zinc/82/61/16/594826116.db2.gz SEZXUENXKLFAGW-CQSZACIVSA-N 2 2 349.385 1.659 20 0 EDADLP COc1ccccc1[C@H](NC(=O)NC[C@@H](C)C[NH3+])c1[nH+]ccn1C ZINC000841671253 594933576 /nfs/dbraw/zinc/93/35/76/594933576.db2.gz XPGWAVXZESYOLU-WFASDCNBSA-N 2 2 331.420 1.412 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000841689459 594938046 /nfs/dbraw/zinc/93/80/46/594938046.db2.gz DOCSWGOXNIQXFD-LBPRGKRZSA-N 2 2 336.346 1.064 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCc2ccc(CC[NH3+])cc2)c[nH+]1 ZINC000841693905 594938828 /nfs/dbraw/zinc/93/88/28/594938828.db2.gz SFJCSWQSMHPVPA-UHFFFAOYSA-N 2 2 327.432 1.648 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[NH2+]CCC3(F)F)[nH+]c12 ZINC000841848770 594965211 /nfs/dbraw/zinc/96/52/11/594965211.db2.gz BUFLBLNPUMOCJZ-CYBMUJFWSA-N 2 2 337.374 1.482 20 0 EDADLP CC(C)n1cc2c(n1)[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])CCC2 ZINC000841878695 594972252 /nfs/dbraw/zinc/97/22/52/594972252.db2.gz SINVQEXDFRDJLR-LSDHHAIUSA-N 2 2 334.468 1.126 20 0 EDADLP CC(C)n1cc2c(n1)[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])CCC2 ZINC000841878695 594972254 /nfs/dbraw/zinc/97/22/54/594972254.db2.gz SINVQEXDFRDJLR-LSDHHAIUSA-N 2 2 334.468 1.126 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000842477379 595115258 /nfs/dbraw/zinc/11/52/58/595115258.db2.gz SQWSWMVTBABIOD-OAHLLOKOSA-N 2 2 334.464 1.392 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000842477379 595115259 /nfs/dbraw/zinc/11/52/59/595115259.db2.gz SQWSWMVTBABIOD-OAHLLOKOSA-N 2 2 334.464 1.392 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000867231979 595143876 /nfs/dbraw/zinc/14/38/76/595143876.db2.gz GVJXXERBDVUENC-AEFFLSMTSA-N 2 2 342.443 1.956 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000867231979 595143881 /nfs/dbraw/zinc/14/38/81/595143881.db2.gz GVJXXERBDVUENC-AEFFLSMTSA-N 2 2 342.443 1.956 20 0 EDADLP C[C@H]1CC2(C[N@@H+]1CN1C[C@H](c3c[nH+]cn3C)CC1=O)CCOCC2 ZINC000842637937 595152998 /nfs/dbraw/zinc/15/29/98/595152998.db2.gz HBJGZBYBUHLXJJ-LSDHHAIUSA-N 2 2 332.448 1.585 20 0 EDADLP C[C@H]1CC2(C[N@H+]1CN1C[C@H](c3c[nH+]cn3C)CC1=O)CCOCC2 ZINC000842637937 595152999 /nfs/dbraw/zinc/15/29/99/595152999.db2.gz HBJGZBYBUHLXJJ-LSDHHAIUSA-N 2 2 332.448 1.585 20 0 EDADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867411062 595201114 /nfs/dbraw/zinc/20/11/14/595201114.db2.gz IQGVMEOQNNNRFT-DOTOQJQBSA-N 2 2 328.416 1.566 20 0 EDADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867411062 595201116 /nfs/dbraw/zinc/20/11/16/595201116.db2.gz IQGVMEOQNNNRFT-DOTOQJQBSA-N 2 2 328.416 1.566 20 0 EDADLP COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000842968635 595249734 /nfs/dbraw/zinc/24/97/34/595249734.db2.gz VNYTVHQLADTCGR-PBHICJAKSA-N 2 2 340.464 1.140 20 0 EDADLP COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000842968635 595249736 /nfs/dbraw/zinc/24/97/36/595249736.db2.gz VNYTVHQLADTCGR-PBHICJAKSA-N 2 2 340.464 1.140 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1)C1CC1 ZINC000843113424 595289883 /nfs/dbraw/zinc/28/98/83/595289883.db2.gz SFQYBAPDKPHYSB-LSDHHAIUSA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(Br)c1)C1CC1 ZINC000843113424 595289885 /nfs/dbraw/zinc/28/98/85/595289885.db2.gz SFQYBAPDKPHYSB-LSDHHAIUSA-N 2 2 343.265 1.527 20 0 EDADLP CC(C)c1cnc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000844226321 595309593 /nfs/dbraw/zinc/30/95/93/595309593.db2.gz MOQKHZICEXWHBE-GJZGRUSLSA-N 2 2 347.463 1.518 20 0 EDADLP CC(C)c1cnc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000844226321 595309594 /nfs/dbraw/zinc/30/95/94/595309594.db2.gz MOQKHZICEXWHBE-GJZGRUSLSA-N 2 2 347.463 1.518 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC2)c1 ZINC000844292400 595318077 /nfs/dbraw/zinc/31/80/77/595318077.db2.gz GOLUBYSOKDAENL-OAHLLOKOSA-N 2 2 332.404 1.195 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846822854 595321645 /nfs/dbraw/zinc/32/16/45/595321645.db2.gz QNMPZZNKGCZZDZ-UHFFFAOYSA-N 2 2 342.846 1.764 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844695254 595375524 /nfs/dbraw/zinc/37/55/24/595375524.db2.gz TWUFOVBFIOPMLW-QGZVFWFLSA-N 2 2 334.508 1.591 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844695254 595375528 /nfs/dbraw/zinc/37/55/28/595375528.db2.gz TWUFOVBFIOPMLW-QGZVFWFLSA-N 2 2 334.508 1.591 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CN2C(=O)CC23CCCC3)CC1 ZINC000844703396 595378679 /nfs/dbraw/zinc/37/86/79/595378679.db2.gz FJYLABNGNRGYTF-UHFFFAOYSA-N 2 2 330.432 1.715 20 0 EDADLP COC(=O)/C=C/c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)o1 ZINC000848879913 595462183 /nfs/dbraw/zinc/46/21/83/595462183.db2.gz HJCBFYREYBHXRJ-VOTSOKGWSA-N 2 2 347.459 1.679 20 0 EDADLP Cc1ccc(CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000849055220 595476217 /nfs/dbraw/zinc/47/62/17/595476217.db2.gz WRQMWOYDHAPJQD-SFHVURJKSA-N 2 2 331.508 1.881 20 0 EDADLP COc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCO[C@@H](C)C2)cc1OC ZINC000849072041 595477905 /nfs/dbraw/zinc/47/79/05/595477905.db2.gz CPBIKMOSORNSQI-ZDUSSCGKSA-N 2 2 336.436 1.038 20 0 EDADLP COc1ccc(CNC(=[NH2+])NCC[N@H+]2CCO[C@@H](C)C2)cc1OC ZINC000849072041 595477906 /nfs/dbraw/zinc/47/79/06/595477906.db2.gz CPBIKMOSORNSQI-ZDUSSCGKSA-N 2 2 336.436 1.038 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC=C1c2ccccc2C(=O)NC1=O ZINC000849173714 595491209 /nfs/dbraw/zinc/49/12/09/595491209.db2.gz AXXYTXWIZXHECN-IQGJIOQQSA-N 2 2 344.459 1.159 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC=C1c2ccccc2C(=O)NC1=O ZINC000849173714 595491211 /nfs/dbraw/zinc/49/12/11/595491211.db2.gz AXXYTXWIZXHECN-IQGJIOQQSA-N 2 2 344.459 1.159 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2[nH+]ccn2C)[C@@H](c2cnn(C)c2)C1 ZINC000849520519 595556675 /nfs/dbraw/zinc/55/66/75/595556675.db2.gz NLSFYEKVVAJGJL-HZPDHXFCSA-N 2 2 344.463 1.284 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2[nH+]ccn2C)[C@@H](c2cnn(C)c2)C1 ZINC000849520519 595556679 /nfs/dbraw/zinc/55/66/79/595556679.db2.gz NLSFYEKVVAJGJL-HZPDHXFCSA-N 2 2 344.463 1.284 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050939 595690890 /nfs/dbraw/zinc/69/08/90/595690890.db2.gz GZQSDHGVAALNCM-MSOLQXFVSA-N 2 2 349.475 1.351 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050939 595690895 /nfs/dbraw/zinc/69/08/95/595690895.db2.gz GZQSDHGVAALNCM-MSOLQXFVSA-N 2 2 349.475 1.351 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050939 595690900 /nfs/dbraw/zinc/69/09/00/595690900.db2.gz GZQSDHGVAALNCM-MSOLQXFVSA-N 2 2 349.475 1.351 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050939 595690902 /nfs/dbraw/zinc/69/09/02/595690902.db2.gz GZQSDHGVAALNCM-MSOLQXFVSA-N 2 2 349.475 1.351 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000855416322 595705425 /nfs/dbraw/zinc/70/54/25/595705425.db2.gz KQKBYZHFATWIHK-KRWDZBQOSA-N 2 2 332.448 1.504 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000855416322 595705427 /nfs/dbraw/zinc/70/54/27/595705427.db2.gz KQKBYZHFATWIHK-KRWDZBQOSA-N 2 2 332.448 1.504 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741737 595903872 /nfs/dbraw/zinc/90/38/72/595903872.db2.gz IHURTXXZVJNIBF-HOTGVXAUSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741737 595903874 /nfs/dbraw/zinc/90/38/74/595903874.db2.gz IHURTXXZVJNIBF-HOTGVXAUSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741737 595903877 /nfs/dbraw/zinc/90/38/77/595903877.db2.gz IHURTXXZVJNIBF-HOTGVXAUSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741737 595903880 /nfs/dbraw/zinc/90/38/80/595903880.db2.gz IHURTXXZVJNIBF-HOTGVXAUSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741735 595903961 /nfs/dbraw/zinc/90/39/61/595903961.db2.gz IHURTXXZVJNIBF-CVEARBPZSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741735 595903963 /nfs/dbraw/zinc/90/39/63/595903963.db2.gz IHURTXXZVJNIBF-CVEARBPZSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741735 595903964 /nfs/dbraw/zinc/90/39/64/595903964.db2.gz IHURTXXZVJNIBF-CVEARBPZSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741735 595903965 /nfs/dbraw/zinc/90/39/65/595903965.db2.gz IHURTXXZVJNIBF-CVEARBPZSA-N 2 2 343.512 1.924 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851771791 595917002 /nfs/dbraw/zinc/91/70/02/595917002.db2.gz PALADXQCYVTDSA-CABCVRRESA-N 2 2 327.469 1.506 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851771791 595917007 /nfs/dbraw/zinc/91/70/07/595917007.db2.gz PALADXQCYVTDSA-CABCVRRESA-N 2 2 327.469 1.506 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N(C)C[C@@H](C)[NH3+])cc1 ZINC000861549036 596026400 /nfs/dbraw/zinc/02/64/00/596026400.db2.gz DLMDZQVPDHJPFC-WBVHZDCISA-N 2 2 334.464 1.357 20 0 EDADLP CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)n1 ZINC000856595302 596026549 /nfs/dbraw/zinc/02/65/49/596026549.db2.gz SXCBZPLLXXCZOU-KRWDZBQOSA-N 2 2 348.451 1.001 20 0 EDADLP CCc1noc(C[C@@]2(O)CCC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)n1 ZINC000856595302 596026551 /nfs/dbraw/zinc/02/65/51/596026551.db2.gz SXCBZPLLXXCZOU-KRWDZBQOSA-N 2 2 348.451 1.001 20 0 EDADLP [NH3+]CCCCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000861648675 596056995 /nfs/dbraw/zinc/05/69/95/596056995.db2.gz ZWGSWZDZMYOCCV-KRWDZBQOSA-N 2 2 349.479 1.101 20 0 EDADLP [NH3+]CCCCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000861648675 596056998 /nfs/dbraw/zinc/05/69/98/596056998.db2.gz ZWGSWZDZMYOCCV-KRWDZBQOSA-N 2 2 349.479 1.101 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857101452 596158433 /nfs/dbraw/zinc/15/84/33/596158433.db2.gz XYCQIHDBMQKLEO-LJQANCHMSA-N 2 2 345.487 1.900 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857101452 596158435 /nfs/dbraw/zinc/15/84/35/596158435.db2.gz XYCQIHDBMQKLEO-LJQANCHMSA-N 2 2 345.487 1.900 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000866621125 596269620 /nfs/dbraw/zinc/26/96/20/596269620.db2.gz YZLWWXHRYJWFHK-UHFFFAOYSA-N 2 2 334.445 1.386 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000864614788 596284575 /nfs/dbraw/zinc/28/45/75/596284575.db2.gz MRHZBONJOQDNRA-GJZGRUSLSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000864614788 596284579 /nfs/dbraw/zinc/28/45/79/596284579.db2.gz MRHZBONJOQDNRA-GJZGRUSLSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)C1 ZINC000864614788 596284584 /nfs/dbraw/zinc/28/45/84/596284584.db2.gz MRHZBONJOQDNRA-GJZGRUSLSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)C1 ZINC000864614788 596284589 /nfs/dbraw/zinc/28/45/89/596284589.db2.gz MRHZBONJOQDNRA-GJZGRUSLSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1)[NH+]1CCOCC1 ZINC000864670597 596302968 /nfs/dbraw/zinc/30/29/68/596302968.db2.gz YLXPBZBVOWVBRI-HUUCEWRRSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1)[NH+]1CCOCC1 ZINC000864670597 596302973 /nfs/dbraw/zinc/30/29/73/596302973.db2.gz YLXPBZBVOWVBRI-HUUCEWRRSA-N 2 2 347.450 1.437 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCC[NH+](CC(F)F)C1 ZINC000866786394 596345904 /nfs/dbraw/zinc/34/59/04/596345904.db2.gz RXKHRKTZUPPLJU-LSDHHAIUSA-N 2 2 347.450 1.317 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCC[NH+](CC(F)F)C1 ZINC000866786394 596345907 /nfs/dbraw/zinc/34/59/07/596345907.db2.gz RXKHRKTZUPPLJU-LSDHHAIUSA-N 2 2 347.450 1.317 20 0 EDADLP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000866786394 596345911 /nfs/dbraw/zinc/34/59/11/596345911.db2.gz RXKHRKTZUPPLJU-LSDHHAIUSA-N 2 2 347.450 1.317 20 0 EDADLP O=C(NCCCC[NH+]1CCC[C@@H]1CO)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000866786394 596345914 /nfs/dbraw/zinc/34/59/14/596345914.db2.gz RXKHRKTZUPPLJU-LSDHHAIUSA-N 2 2 347.450 1.317 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000866810166 596358810 /nfs/dbraw/zinc/35/88/10/596358810.db2.gz QBHDFXLURFOWCC-UHFFFAOYSA-N 2 2 349.460 1.089 20 0 EDADLP C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000867470637 596384650 /nfs/dbraw/zinc/38/46/50/596384650.db2.gz RSOCYJDHTBVQEM-TZQLFLEQSA-N 2 2 331.460 1.682 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000870886087 596390696 /nfs/dbraw/zinc/39/06/96/596390696.db2.gz UKEDFESWWOZYQK-CEXWTWQISA-N 2 2 345.487 1.564 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000870979545 596426806 /nfs/dbraw/zinc/42/68/06/596426806.db2.gz OGWREGSBAFWMBC-ROUUACIJSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000870979545 596426808 /nfs/dbraw/zinc/42/68/08/596426808.db2.gz OGWREGSBAFWMBC-ROUUACIJSA-N 2 2 331.460 1.454 20 0 EDADLP CC[N@H+](CCNC(=O)/C=C/C[NH+]1CCOCC1)CCC(F)(F)F ZINC000867787938 596549687 /nfs/dbraw/zinc/54/96/87/596549687.db2.gz UNUCJDMIANSDKN-ONEGZZNKSA-N 2 2 337.386 1.265 20 0 EDADLP CC[N@@H+](CCNC(=O)/C=C/C[NH+]1CCOCC1)CCC(F)(F)F ZINC000867787938 596549690 /nfs/dbraw/zinc/54/96/90/596549690.db2.gz UNUCJDMIANSDKN-ONEGZZNKSA-N 2 2 337.386 1.265 20 0 EDADLP Nc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc(C2CCCC2)[nH+]1 ZINC000865505398 596593387 /nfs/dbraw/zinc/59/33/87/596593387.db2.gz DTLSSOOYUAEFRA-ZIAGYGMSSA-N 2 2 332.452 1.147 20 0 EDADLP c1cnc(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000865519547 596598390 /nfs/dbraw/zinc/59/83/90/596598390.db2.gz AQIWOESUXXTGPN-UHFFFAOYSA-N 2 2 342.443 1.520 20 0 EDADLP Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000863553131 596615865 /nfs/dbraw/zinc/61/58/65/596615865.db2.gz VLLRUDJPPASBNX-ZWKOTPCHSA-N 2 2 331.460 1.537 20 0 EDADLP Cc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)C[NH+]3CCCC3)C2)cc1C ZINC000863557412 596617767 /nfs/dbraw/zinc/61/77/67/596617767.db2.gz NNWRJCKQZXRWCD-ZWKOTPCHSA-N 2 2 331.460 1.843 20 0 EDADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000865637634 596634773 /nfs/dbraw/zinc/63/47/73/596634773.db2.gz DNLOEECHYBKJRW-OAHLLOKOSA-N 2 2 343.422 1.524 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)s1 ZINC000865779653 596680914 /nfs/dbraw/zinc/68/09/14/596680914.db2.gz LBODNDYZEDCLBP-CYBMUJFWSA-N 2 2 325.478 1.880 20 0 EDADLP C[N@H+](CCO[NH+]=C(N)CCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000871774052 596694345 /nfs/dbraw/zinc/69/43/45/596694345.db2.gz NONNPOSCTZMZFJ-UHFFFAOYSA-N 2 2 331.413 1.191 20 0 EDADLP C[N@@H+](CCO[NH+]=C(N)CCS(C)(=O)=O)Cc1ccc(F)cc1 ZINC000871774052 596694347 /nfs/dbraw/zinc/69/43/47/596694347.db2.gz NONNPOSCTZMZFJ-UHFFFAOYSA-N 2 2 331.413 1.191 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870067553 596732836 /nfs/dbraw/zinc/73/28/36/596732836.db2.gz DXJXRQZNLDVIEF-QGZVFWFLSA-N 2 2 341.496 1.058 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870067553 596732841 /nfs/dbraw/zinc/73/28/41/596732841.db2.gz DXJXRQZNLDVIEF-QGZVFWFLSA-N 2 2 341.496 1.058 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870085483 596742893 /nfs/dbraw/zinc/74/28/93/596742893.db2.gz MBJUURXLULNBJO-GDBMZVCRSA-N 2 2 326.400 1.324 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)cn1 ZINC000870088790 596744398 /nfs/dbraw/zinc/74/43/98/596744398.db2.gz JJOGBUCGZVDSTF-SFHVURJKSA-N 2 2 340.427 1.636 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000865995932 596752037 /nfs/dbraw/zinc/75/20/37/596752037.db2.gz ALTHNJRMHQOGJA-CQSZACIVSA-N 2 2 337.468 1.064 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)c1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000865995932 596752040 /nfs/dbraw/zinc/75/20/40/596752040.db2.gz ALTHNJRMHQOGJA-CQSZACIVSA-N 2 2 337.468 1.064 20 0 EDADLP CC[NH+]1CCC(CNC(=O)N2CCN(C)c3[nH+]cccc3C2)CC1 ZINC000868362968 596803414 /nfs/dbraw/zinc/80/34/14/596803414.db2.gz DYLLCZYPOGFXQO-UHFFFAOYSA-N 2 2 331.464 1.775 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000872110173 596807511 /nfs/dbraw/zinc/80/75/11/596807511.db2.gz WHXPKBBZLNUCHE-NEWSRXKRSA-N 2 2 337.508 1.330 20 0 EDADLP C(C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1)N1CCOCC1 ZINC000872110173 596807515 /nfs/dbraw/zinc/80/75/15/596807515.db2.gz WHXPKBBZLNUCHE-NEWSRXKRSA-N 2 2 337.508 1.330 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151285 596813363 /nfs/dbraw/zinc/81/33/63/596813363.db2.gz CUGIZZSCBRTVNQ-VGTOOOLASA-N 2 2 329.404 1.137 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151285 596813365 /nfs/dbraw/zinc/81/33/65/596813365.db2.gz CUGIZZSCBRTVNQ-VGTOOOLASA-N 2 2 329.404 1.137 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)NCCCSc1ccccc1)C2 ZINC000872152640 596814248 /nfs/dbraw/zinc/81/42/48/596814248.db2.gz SOUZTCSJTCBKJA-MAUKXSAKSA-N 2 2 333.501 1.826 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)NCCCSc1ccccc1)C2 ZINC000872152640 596814249 /nfs/dbraw/zinc/81/42/49/596814249.db2.gz SOUZTCSJTCBKJA-MAUKXSAKSA-N 2 2 333.501 1.826 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc(=O)oc2c1 ZINC000872153874 596815181 /nfs/dbraw/zinc/81/51/81/596815181.db2.gz LHBJINOKEXHPTK-IFXJQAMLSA-N 2 2 341.411 1.793 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc(=O)oc2c1 ZINC000872153874 596815182 /nfs/dbraw/zinc/81/51/82/596815182.db2.gz LHBJINOKEXHPTK-IFXJQAMLSA-N 2 2 341.411 1.793 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@]3(C)C[NH2+]CCO3)n2)cn1 ZINC000872174163 596820505 /nfs/dbraw/zinc/82/05/05/596820505.db2.gz GEPUFUZULQPNFC-MRXNPFEDSA-N 2 2 326.360 1.461 20 0 EDADLP C[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000866208378 596827686 /nfs/dbraw/zinc/82/76/86/596827686.db2.gz IOCDGQIDXRSSBW-WMLDXEAASA-N 2 2 328.416 1.566 20 0 EDADLP C[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000866208378 596827688 /nfs/dbraw/zinc/82/76/88/596827688.db2.gz IOCDGQIDXRSSBW-WMLDXEAASA-N 2 2 328.416 1.566 20 0 EDADLP CC(C)(O)C[C@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000872201442 596833124 /nfs/dbraw/zinc/83/31/24/596833124.db2.gz AEWTVKZQNDGWGC-HNNXBMFYSA-N 2 2 330.538 1.850 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000872218562 596840395 /nfs/dbraw/zinc/84/03/95/596840395.db2.gz PNIOMPPZJXCQPZ-GJZGRUSLSA-N 2 2 326.412 1.000 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000872218562 596840398 /nfs/dbraw/zinc/84/03/98/596840398.db2.gz PNIOMPPZJXCQPZ-GJZGRUSLSA-N 2 2 326.412 1.000 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866299687 596851023 /nfs/dbraw/zinc/85/10/23/596851023.db2.gz OENRVRIFLKCHTE-PBHICJAKSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866299687 596851027 /nfs/dbraw/zinc/85/10/27/596851027.db2.gz OENRVRIFLKCHTE-PBHICJAKSA-N 2 2 328.416 1.566 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2([C@@H]3CCCCO3)CCC2)CC1 ZINC000866353318 596864702 /nfs/dbraw/zinc/86/47/02/596864702.db2.gz QRDXWGZFAIORFF-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](OC3CCC3)CC2)CC1 ZINC000872276817 596864875 /nfs/dbraw/zinc/86/48/75/596864875.db2.gz MINUGESLQLWBQC-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](OC3CCC3)CC2)CC1 ZINC000872276817 596864876 /nfs/dbraw/zinc/86/48/76/596864876.db2.gz MINUGESLQLWBQC-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000866414121 596880038 /nfs/dbraw/zinc/88/00/38/596880038.db2.gz KSDYBQBZOBSOSP-RDBSUJKOSA-N 2 2 348.434 1.788 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000866414121 596880041 /nfs/dbraw/zinc/88/00/41/596880041.db2.gz KSDYBQBZOBSOSP-RDBSUJKOSA-N 2 2 348.434 1.788 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@H]3CCCCN3C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000872596156 596980896 /nfs/dbraw/zinc/98/08/96/596980896.db2.gz SAZRRZDSQWOBKF-KZNAEPCWSA-N 2 2 349.523 1.192 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000874243702 596983558 /nfs/dbraw/zinc/98/35/58/596983558.db2.gz ORGVYDJXQWSOSI-UHFFFAOYSA-N 2 2 343.431 1.242 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cn3nccc3-c3cccnc3)CC2)CC1 ZINC000872731887 597050014 /nfs/dbraw/zinc/05/00/14/597050014.db2.gz JBYAAUNLIRJZEC-UHFFFAOYSA-N 2 2 340.475 1.614 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000874702175 597145526 /nfs/dbraw/zinc/14/55/26/597145526.db2.gz CNMLMZRLPPCPDR-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000874702175 597145529 /nfs/dbraw/zinc/14/55/29/597145529.db2.gz CNMLMZRLPPCPDR-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)C3)nn2)cc1 ZINC000873048041 597170943 /nfs/dbraw/zinc/17/09/43/597170943.db2.gz NIXOGBKUPMAAAM-INIZCTEOSA-N 2 2 329.448 1.766 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)nn2)cc1 ZINC000873048041 597170945 /nfs/dbraw/zinc/17/09/45/597170945.db2.gz NIXOGBKUPMAAAM-INIZCTEOSA-N 2 2 329.448 1.766 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)[NH+]1CCOCC1 ZINC000874835729 597191882 /nfs/dbraw/zinc/19/18/82/597191882.db2.gz BBGVRZNHXWOMHC-FGTMMUONSA-N 2 2 337.508 1.819 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)[NH+]1CCOCC1 ZINC000874835729 597191883 /nfs/dbraw/zinc/19/18/83/597191883.db2.gz BBGVRZNHXWOMHC-FGTMMUONSA-N 2 2 337.508 1.819 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000874838666 597192384 /nfs/dbraw/zinc/19/23/84/597192384.db2.gz QSRUVSCBJXMBFS-RCCFBDPRSA-N 2 2 328.460 1.741 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000874838666 597192387 /nfs/dbraw/zinc/19/23/87/597192387.db2.gz QSRUVSCBJXMBFS-RCCFBDPRSA-N 2 2 328.460 1.741 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000874838666 597192388 /nfs/dbraw/zinc/19/23/88/597192388.db2.gz QSRUVSCBJXMBFS-RCCFBDPRSA-N 2 2 328.460 1.741 20 0 EDADLP CC[C@@H]1COCCN1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000873190134 597222988 /nfs/dbraw/zinc/22/29/88/597222988.db2.gz VVASAPWSAPIKRX-LJQANCHMSA-N 2 2 332.492 1.746 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000873206000 597226987 /nfs/dbraw/zinc/22/69/87/597226987.db2.gz YMONBDAPXAICPF-INIZCTEOSA-N 3 2 334.533 1.606 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000873206000 597226989 /nfs/dbraw/zinc/22/69/89/597226989.db2.gz YMONBDAPXAICPF-INIZCTEOSA-N 3 2 334.533 1.606 20 0 EDADLP c1c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000873210285 597228688 /nfs/dbraw/zinc/22/86/88/597228688.db2.gz AVNAGSXPCSHNDZ-HNNXBMFYSA-N 3 2 335.517 1.938 20 0 EDADLP c1c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000873210285 597228692 /nfs/dbraw/zinc/22/86/92/597228692.db2.gz AVNAGSXPCSHNDZ-HNNXBMFYSA-N 3 2 335.517 1.938 20 0 EDADLP Nc1cnc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000873213433 597229690 /nfs/dbraw/zinc/22/96/90/597229690.db2.gz ZLMDJPKDJWCHDI-UHFFFAOYSA-N 2 2 343.431 1.060 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H](Cc2cccnc2)C2CCCC2)[C@@H](C[NH3+])C1 ZINC000876541971 597233387 /nfs/dbraw/zinc/23/33/87/597233387.db2.gz IDMXUXLRZRDKRB-ZWKOTPCHSA-N 2 2 330.476 1.532 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H](Cc2cccnc2)C2CCCC2)[C@@H](C[NH3+])C1 ZINC000876541971 597233388 /nfs/dbraw/zinc/23/33/88/597233388.db2.gz IDMXUXLRZRDKRB-ZWKOTPCHSA-N 2 2 330.476 1.532 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(N3CCCC3)nc2)C[C@@H]1C(F)(F)F ZINC000873227069 597234057 /nfs/dbraw/zinc/23/40/57/597234057.db2.gz GHUYBVULUHZONL-OLZOCXBDSA-N 2 2 329.370 1.646 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(N3CCCC3)nc2)C[C@@H]1C(F)(F)F ZINC000873227069 597234060 /nfs/dbraw/zinc/23/40/60/597234060.db2.gz GHUYBVULUHZONL-OLZOCXBDSA-N 2 2 329.370 1.646 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000876542703 597234163 /nfs/dbraw/zinc/23/41/63/597234163.db2.gz RYYVUPMPFCLBTF-KTRBRXNASA-N 2 2 327.350 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000876542703 597234164 /nfs/dbraw/zinc/23/41/64/597234164.db2.gz RYYVUPMPFCLBTF-KTRBRXNASA-N 2 2 327.350 1.820 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CCC1(C)C ZINC000875067223 597267184 /nfs/dbraw/zinc/26/71/84/597267184.db2.gz MWYSPPLGXLHIAM-UHFFFAOYSA-N 2 2 342.447 1.893 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CCC1(C)C ZINC000875067223 597267187 /nfs/dbraw/zinc/26/71/87/597267187.db2.gz MWYSPPLGXLHIAM-UHFFFAOYSA-N 2 2 342.447 1.893 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000875137304 597298043 /nfs/dbraw/zinc/29/80/43/597298043.db2.gz AGSLUGRIVGKFLI-AWEZNQCLSA-N 2 2 337.387 1.196 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000876724242 597306574 /nfs/dbraw/zinc/30/65/74/597306574.db2.gz QVICKRSRTZRNSR-IRXDYDNUSA-N 2 2 344.459 1.993 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000875189613 597320883 /nfs/dbraw/zinc/32/08/83/597320883.db2.gz MZJHBBOQIRJQHP-GOEBONIOSA-N 2 2 337.468 1.238 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000875189613 597320885 /nfs/dbraw/zinc/32/08/85/597320885.db2.gz MZJHBBOQIRJQHP-GOEBONIOSA-N 2 2 337.468 1.238 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)CCO1 ZINC000875196808 597325651 /nfs/dbraw/zinc/32/56/51/597325651.db2.gz ZYAABYYZFLXZGT-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)CCO1 ZINC000875196808 597325653 /nfs/dbraw/zinc/32/56/53/597325653.db2.gz ZYAABYYZFLXZGT-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CCO1 ZINC000875196808 597325655 /nfs/dbraw/zinc/32/56/55/597325655.db2.gz ZYAABYYZFLXZGT-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCO1 ZINC000875196808 597325657 /nfs/dbraw/zinc/32/56/57/597325657.db2.gz ZYAABYYZFLXZGT-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875486179 597448567 /nfs/dbraw/zinc/44/85/67/597448567.db2.gz NSVOQPPZBGEMGM-UHFFFAOYSA-N 2 2 349.479 1.401 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000875545262 597472649 /nfs/dbraw/zinc/47/26/49/597472649.db2.gz RZRPFACSJVAHFJ-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000875545262 597472653 /nfs/dbraw/zinc/47/26/53/597472653.db2.gz RZRPFACSJVAHFJ-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000875545262 597472656 /nfs/dbraw/zinc/47/26/56/597472656.db2.gz RZRPFACSJVAHFJ-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000875545262 597472659 /nfs/dbraw/zinc/47/26/59/597472659.db2.gz RZRPFACSJVAHFJ-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C[C@@H]1C(F)(F)F ZINC000877352903 597498986 /nfs/dbraw/zinc/49/89/86/597498986.db2.gz LYJQBPUHRZCIMY-SKDRFNHKSA-N 2 2 344.312 1.612 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000877398079 597509608 /nfs/dbraw/zinc/50/96/08/597509608.db2.gz AUXHSORFRXQHQX-AWEZNQCLSA-N 2 2 345.484 1.262 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000877398079 597509609 /nfs/dbraw/zinc/50/96/09/597509609.db2.gz AUXHSORFRXQHQX-AWEZNQCLSA-N 2 2 345.484 1.262 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000877432215 597514589 /nfs/dbraw/zinc/51/45/89/597514589.db2.gz BIBPYSGQTJXRAJ-GOSISDBHSA-N 2 2 331.460 1.215 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000877432215 597514591 /nfs/dbraw/zinc/51/45/91/597514591.db2.gz BIBPYSGQTJXRAJ-GOSISDBHSA-N 2 2 331.460 1.215 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000877481039 597523340 /nfs/dbraw/zinc/52/33/40/597523340.db2.gz SPPRRBYPJRISBL-AWEZNQCLSA-N 2 2 334.445 1.447 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000877481039 597523341 /nfs/dbraw/zinc/52/33/41/597523341.db2.gz SPPRRBYPJRISBL-AWEZNQCLSA-N 2 2 334.445 1.447 20 0 EDADLP COc1cnc(F)c(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000877525559 597530741 /nfs/dbraw/zinc/53/07/41/597530741.db2.gz HFVVJGRSRMRHQM-MRXNPFEDSA-N 2 2 336.455 1.830 20 0 EDADLP COc1cnc(F)c(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000877525559 597530742 /nfs/dbraw/zinc/53/07/42/597530742.db2.gz HFVVJGRSRMRHQM-MRXNPFEDSA-N 2 2 336.455 1.830 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)CCO1 ZINC000877665287 597546018 /nfs/dbraw/zinc/54/60/18/597546018.db2.gz PFPMPZZUKISLAD-AEFFLSMTSA-N 2 2 347.503 1.847 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)CCO1 ZINC000877665287 597546019 /nfs/dbraw/zinc/54/60/19/597546019.db2.gz PFPMPZZUKISLAD-AEFFLSMTSA-N 2 2 347.503 1.847 20 0 EDADLP O=c1[nH]c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc2c1COCC2 ZINC000877969259 597567067 /nfs/dbraw/zinc/56/70/67/597567067.db2.gz ZLSDCITZVWQVQC-UHFFFAOYSA-N 2 2 332.448 1.563 20 0 EDADLP O[C@H](C[NH+]1CCC(Nc2cccc[nH+]2)CC1)CC1(O)CCOCC1 ZINC000878320861 597595255 /nfs/dbraw/zinc/59/52/55/597595255.db2.gz KLXQMSZGSJSIKC-INIZCTEOSA-N 2 2 335.448 1.250 20 0 EDADLP O[C@H](C[C@H](O)c1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878551892 597631846 /nfs/dbraw/zinc/63/18/46/597631846.db2.gz JZQRKFXJURCKTG-AQNXPRMDSA-N 2 2 348.487 1.658 20 0 EDADLP O[C@H](C[C@H](O)c1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878551892 597631849 /nfs/dbraw/zinc/63/18/49/597631849.db2.gz JZQRKFXJURCKTG-AQNXPRMDSA-N 2 2 348.487 1.658 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573513 597637284 /nfs/dbraw/zinc/63/72/84/597637284.db2.gz YBXZZKCXFBIEPM-MNEFBYGVSA-N 2 2 327.472 1.986 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573513 597637288 /nfs/dbraw/zinc/63/72/88/597637288.db2.gz YBXZZKCXFBIEPM-MNEFBYGVSA-N 2 2 327.472 1.986 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573513 597637290 /nfs/dbraw/zinc/63/72/90/597637290.db2.gz YBXZZKCXFBIEPM-MNEFBYGVSA-N 2 2 327.472 1.986 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573513 597637294 /nfs/dbraw/zinc/63/72/94/597637294.db2.gz YBXZZKCXFBIEPM-MNEFBYGVSA-N 2 2 327.472 1.986 20 0 EDADLP C[NH+]1CCN(C2CC[NH+]([C@H](C(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000879594456 597650111 /nfs/dbraw/zinc/65/01/11/597650111.db2.gz JFVYYBJTWRZEQL-KRWDZBQOSA-N 2 2 337.508 1.819 20 0 EDADLP COCC[N@@H+](Cc1nc([C@H](C)OC)no1)CC1CC[NH+](C)CC1 ZINC000879125312 597827168 /nfs/dbraw/zinc/82/71/68/597827168.db2.gz YDTHRYUOOWXCHL-ZDUSSCGKSA-N 2 2 326.441 1.567 20 0 EDADLP COCC[N@H+](Cc1nc([C@H](C)OC)no1)CC1CC[NH+](C)CC1 ZINC000879125312 597827170 /nfs/dbraw/zinc/82/71/70/597827170.db2.gz YDTHRYUOOWXCHL-ZDUSSCGKSA-N 2 2 326.441 1.567 20 0 EDADLP C[C@H]1NC(=O)N(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1=O ZINC000880570015 597967147 /nfs/dbraw/zinc/96/71/47/597967147.db2.gz RWOFDJTYOQCYAT-UKRRQHHQSA-N 2 2 327.388 1.154 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571038 597967204 /nfs/dbraw/zinc/96/72/04/597967204.db2.gz MYNZANQZKKFHHD-MRXNPFEDSA-N 2 2 336.461 1.496 20 0 EDADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000882484824 597972890 /nfs/dbraw/zinc/97/28/90/597972890.db2.gz BXDHSAIGVVFLAV-QZTJIDSGSA-N 2 2 330.476 1.186 20 0 EDADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000882484824 597972892 /nfs/dbraw/zinc/97/28/92/597972892.db2.gz BXDHSAIGVVFLAV-QZTJIDSGSA-N 2 2 330.476 1.186 20 0 EDADLP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000884221962 598033930 /nfs/dbraw/zinc/03/39/30/598033930.db2.gz DTBYWGFZIMQZFF-SJORKVTESA-N 2 2 347.507 1.342 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)c1C ZINC000884520028 598126467 /nfs/dbraw/zinc/12/64/67/598126467.db2.gz KMDGSVVHDDCRNN-AWEZNQCLSA-N 2 2 348.447 1.053 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000914274903 695329723 /nfs/dbraw/zinc/32/97/23/695329723.db2.gz AZTOYNXJWSJRES-OAHLLOKOSA-N 2 2 340.512 1.659 20 0 EDADLP CCCc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cs1 ZINC000939856515 699995365 /nfs/dbraw/zinc/99/53/65/699995365.db2.gz NPCNMAVPAHPUMV-ZFWWWQNUSA-N 2 2 347.488 1.929 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939857699 699996845 /nfs/dbraw/zinc/99/68/45/699996845.db2.gz UHLBVKLPKUTKHP-WMLDXEAASA-N 2 2 328.416 1.012 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000939858277 699997259 /nfs/dbraw/zinc/99/72/59/699997259.db2.gz XHFODLRNNDHZKF-PBHICJAKSA-N 2 2 342.447 1.053 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000939858573 699997494 /nfs/dbraw/zinc/99/74/94/699997494.db2.gz YZASAVFMCULHLO-GHMZBOCLSA-N 2 2 339.852 1.630 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)o1 ZINC000992925031 695456532 /nfs/dbraw/zinc/45/65/32/695456532.db2.gz NUZXUGZCMHHDNS-BZUAXINKSA-N 2 2 343.431 1.596 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nccs3)[C@@H]2C1 ZINC000992927258 695458179 /nfs/dbraw/zinc/45/81/79/695458179.db2.gz WXAGSPLJOISGPQ-RRFJBIMHSA-N 2 2 345.472 1.757 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)o1 ZINC000992928025 695458638 /nfs/dbraw/zinc/45/86/38/695458638.db2.gz ZGANGXKRKAXLTG-USXIJHARSA-N 2 2 343.431 1.596 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000915662377 695965406 /nfs/dbraw/zinc/96/54/06/695965406.db2.gz JAOKWEVXKSUKPP-HOCLYGCPSA-N 2 2 337.468 1.238 20 0 EDADLP Cc1cccc(NCCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000915854083 696049656 /nfs/dbraw/zinc/04/96/56/696049656.db2.gz CRWLFXRDRPDWHF-UHFFFAOYSA-N 2 2 335.452 1.212 20 0 EDADLP Cc1cccc(NCCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000915854083 696049659 /nfs/dbraw/zinc/04/96/59/696049659.db2.gz CRWLFXRDRPDWHF-UHFFFAOYSA-N 2 2 335.452 1.212 20 0 EDADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263835 696075879 /nfs/dbraw/zinc/07/58/79/696075879.db2.gz BWTUDAICCZBAJH-DOTOQJQBSA-N 2 2 335.492 1.478 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)nn1C ZINC000993750708 696348673 /nfs/dbraw/zinc/34/86/73/696348673.db2.gz DLUPXSXCCVAPAP-YJBOKZPZSA-N 2 2 347.507 1.539 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)nn1C ZINC000993750708 696348675 /nfs/dbraw/zinc/34/86/75/696348675.db2.gz DLUPXSXCCVAPAP-YJBOKZPZSA-N 2 2 347.507 1.539 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1Cc1cncn1C ZINC000993801907 696378323 /nfs/dbraw/zinc/37/83/23/696378323.db2.gz DDZBAXBAZFSPKR-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1Cc1cncn1C ZINC000993801907 696378325 /nfs/dbraw/zinc/37/83/25/696378325.db2.gz DDZBAXBAZFSPKR-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cncn1C ZINC000993801907 696378331 /nfs/dbraw/zinc/37/83/31/696378331.db2.gz DDZBAXBAZFSPKR-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994208842 696582136 /nfs/dbraw/zinc/58/21/36/696582136.db2.gz MUHQYPZWHVVMRP-SUMWQHHRSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994208842 696582138 /nfs/dbraw/zinc/58/21/38/696582138.db2.gz MUHQYPZWHVVMRP-SUMWQHHRSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1ncsc1C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994209706 696582477 /nfs/dbraw/zinc/58/24/77/696582477.db2.gz OBTWZFWWZMWWLW-HIFRSBDPSA-N 2 2 347.488 1.897 20 0 EDADLP Cc1ncsc1C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994209706 696582479 /nfs/dbraw/zinc/58/24/79/696582479.db2.gz OBTWZFWWZMWWLW-HIFRSBDPSA-N 2 2 347.488 1.897 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccn2)[C@H]1C ZINC000994409304 696835581 /nfs/dbraw/zinc/83/55/81/696835581.db2.gz QPHXAFVBYTVZMG-WMLDXEAASA-N 2 2 327.432 1.756 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccnn2C)[C@@H]1C ZINC000994420840 696842653 /nfs/dbraw/zinc/84/26/53/696842653.db2.gz LERWGTQHJIYTBI-CZUORRHYSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnn2C)[C@@H]1C ZINC000994420840 696842656 /nfs/dbraw/zinc/84/26/56/696842656.db2.gz LERWGTQHJIYTBI-CZUORRHYSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cnn(C)c2)[C@@H]1C ZINC000994425952 696848068 /nfs/dbraw/zinc/84/80/68/696848068.db2.gz SIAFMLDZNQAILL-CJNGLKHVSA-N 2 2 330.436 1.094 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)/C=C/Cl)C2)CC1 ZINC000918906674 697222393 /nfs/dbraw/zinc/22/23/93/697222393.db2.gz QNTVZMSWVDOMOU-GWJCSSMESA-N 2 2 328.888 1.985 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC(C)(C)/C=C/Cl)C2)CC1 ZINC000918906674 697222395 /nfs/dbraw/zinc/22/23/95/697222395.db2.gz QNTVZMSWVDOMOU-GWJCSSMESA-N 2 2 328.888 1.985 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)o1 ZINC001031669829 697465364 /nfs/dbraw/zinc/46/53/64/697465364.db2.gz VRQAKRLRXIJOFV-HZPDHXFCSA-N 2 2 332.448 1.405 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)o1 ZINC001031669829 697465365 /nfs/dbraw/zinc/46/53/65/697465365.db2.gz VRQAKRLRXIJOFV-HZPDHXFCSA-N 2 2 332.448 1.405 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccnc2OC)C1 ZINC001031712343 697723247 /nfs/dbraw/zinc/72/32/47/697723247.db2.gz WLRLDVKXFMPYMZ-QGZVFWFLSA-N 2 2 346.475 1.513 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccnc2OC)C1 ZINC001031712343 697723250 /nfs/dbraw/zinc/72/32/50/697723250.db2.gz WLRLDVKXFMPYMZ-QGZVFWFLSA-N 2 2 346.475 1.513 20 0 EDADLP CCc1noc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000940083385 700177698 /nfs/dbraw/zinc/17/76/98/700177698.db2.gz NBPYWFMJUIIPSX-UHFFFAOYSA-N 2 2 346.435 1.459 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943179725 697878360 /nfs/dbraw/zinc/87/83/60/697878360.db2.gz YVHGIGGQVSZGQK-SJCJKPOMSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943179725 697878362 /nfs/dbraw/zinc/87/83/62/697878362.db2.gz YVHGIGGQVSZGQK-SJCJKPOMSA-N 2 2 345.447 1.838 20 0 EDADLP C[C@H]1C[N@H+](Cc2ncccn2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943335535 698153138 /nfs/dbraw/zinc/15/31/38/698153138.db2.gz RFKHUSGNSZKVMQ-RDJZCZTQSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ncccn2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943335535 698153141 /nfs/dbraw/zinc/15/31/41/698153141.db2.gz RFKHUSGNSZKVMQ-RDJZCZTQSA-N 2 2 345.491 1.535 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000995152678 701549845 /nfs/dbraw/zinc/54/98/45/701549845.db2.gz MLZFATDCBXHQGB-UONOGXRCSA-N 2 2 345.451 1.199 20 0 EDADLP CCc1nocc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995152999 701558187 /nfs/dbraw/zinc/55/81/87/701558187.db2.gz NQJOVFKADRWSNK-GXTWGEPZSA-N 2 2 331.420 1.577 20 0 EDADLP C[C@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031764359 699042646 /nfs/dbraw/zinc/04/26/46/699042646.db2.gz ZKJZBZWJZDJCFT-HBUWYVDXSA-N 2 2 349.450 1.654 20 0 EDADLP C[C@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031764359 699042650 /nfs/dbraw/zinc/04/26/50/699042650.db2.gz ZKJZBZWJZDJCFT-HBUWYVDXSA-N 2 2 349.450 1.654 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)on1 ZINC001031766966 699067991 /nfs/dbraw/zinc/06/79/91/699067991.db2.gz OTQNQJBWMZZJNH-RDJZCZTQSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)on1 ZINC001031766966 699067994 /nfs/dbraw/zinc/06/79/94/699067994.db2.gz OTQNQJBWMZZJNH-RDJZCZTQSA-N 2 2 332.448 1.548 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031774041 699134274 /nfs/dbraw/zinc/13/42/74/699134274.db2.gz LXTXNLVAXXDRIE-QGZVFWFLSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031774041 699134275 /nfs/dbraw/zinc/13/42/75/699134275.db2.gz LXTXNLVAXXDRIE-QGZVFWFLSA-N 2 2 337.414 1.997 20 0 EDADLP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001031779085 699180642 /nfs/dbraw/zinc/18/06/42/699180642.db2.gz JDFCZYREDYPXKB-WBVHZDCISA-N 2 2 346.475 1.309 20 0 EDADLP CC[N@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183282538 701574202 /nfs/dbraw/zinc/57/42/02/701574202.db2.gz FRQZNHCBNURFBT-CALCHBBNSA-N 2 2 327.428 1.545 20 0 EDADLP CC[N@@H+](CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183282538 701574203 /nfs/dbraw/zinc/57/42/03/701574203.db2.gz FRQZNHCBNURFBT-CALCHBBNSA-N 2 2 327.428 1.545 20 0 EDADLP CC[NH+](CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183282538 701574204 /nfs/dbraw/zinc/57/42/04/701574204.db2.gz FRQZNHCBNURFBT-CALCHBBNSA-N 2 2 327.428 1.545 20 0 EDADLP CC[NH+](CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183282538 701574205 /nfs/dbraw/zinc/57/42/05/701574205.db2.gz FRQZNHCBNURFBT-CALCHBBNSA-N 2 2 327.428 1.545 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000995160249 701578125 /nfs/dbraw/zinc/57/81/25/701578125.db2.gz LEUAEYWOCHLKLO-STQMWFEESA-N 2 2 348.476 1.197 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](Cc3ccccc3)C2)no1 ZINC001031800153 699316120 /nfs/dbraw/zinc/31/61/20/699316120.db2.gz URYWARUECSOZIA-UHFFFAOYSA-N 2 2 328.416 1.598 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(O)ccc1Cl ZINC000939211159 699359040 /nfs/dbraw/zinc/35/90/40/699359040.db2.gz QQUACIBXEOZCHC-ZBEGNZNMSA-N 2 2 348.834 1.948 20 0 EDADLP Cc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163878 701597266 /nfs/dbraw/zinc/59/72/66/701597266.db2.gz XONKWOAPGCNTRW-ZFWWWQNUSA-N 2 2 331.420 1.334 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)ccn1 ZINC000939535002 699676255 /nfs/dbraw/zinc/67/62/55/699676255.db2.gz OAINGRUERREHEW-CJNGLKHVSA-N 2 2 343.431 1.003 20 0 EDADLP CCc1nocc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939535656 699676924 /nfs/dbraw/zinc/67/69/24/699676924.db2.gz RIYLNCXVMKPFAG-WBMJQRKESA-N 2 2 331.420 1.150 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccns1 ZINC000939540638 699681463 /nfs/dbraw/zinc/68/14/63/699681463.db2.gz IOGCWXUNPGQMEN-DGCLKSJQSA-N 2 2 333.461 1.781 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)n1 ZINC000939547204 699689259 /nfs/dbraw/zinc/68/92/59/699689259.db2.gz WRRXOPMIWWRVHP-KBPBESRZSA-N 2 2 347.463 1.054 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)on1 ZINC000939642146 699771635 /nfs/dbraw/zinc/77/16/35/699771635.db2.gz ICZLIRUGFFJLLB-WBMJQRKESA-N 2 2 331.420 1.286 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995166459 701614354 /nfs/dbraw/zinc/61/43/54/701614354.db2.gz HFNZJHLGLBFWQA-RDJZCZTQSA-N 2 2 341.459 1.741 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccon3)C2)c[nH+]1 ZINC000994993129 699821071 /nfs/dbraw/zinc/82/10/71/699821071.db2.gz ZMRRTPCEEVCGLI-LSDHHAIUSA-N 2 2 345.447 1.989 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)o1 ZINC000939745554 699911388 /nfs/dbraw/zinc/91/13/88/699911388.db2.gz DFHWHVJUEOFYSL-DOMZBBRYSA-N 2 2 331.420 1.379 20 0 EDADLP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144868 700274601 /nfs/dbraw/zinc/27/46/01/700274601.db2.gz QJZSCFJTVXVIDL-UHFFFAOYSA-N 2 2 330.436 1.247 20 0 EDADLP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940144868 700274604 /nfs/dbraw/zinc/27/46/04/700274604.db2.gz QJZSCFJTVXVIDL-UHFFFAOYSA-N 2 2 330.436 1.247 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCN(C2C[NH+](CC3=CCCCC3)C2)CC1 ZINC000941685101 701630281 /nfs/dbraw/zinc/63/02/81/701630281.db2.gz RXBUTUBWGANAHZ-UHFFFAOYSA-N 2 2 343.475 1.212 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)CCc3[nH+]ccn3C)CC2)O1 ZINC000940228839 700394161 /nfs/dbraw/zinc/39/41/61/700394161.db2.gz RYZAQSBHIHECRS-HOTGVXAUSA-N 2 2 348.491 1.891 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243259 700404327 /nfs/dbraw/zinc/40/43/27/700404327.db2.gz JBNUQGWXPLNPKS-QFBILLFUSA-N 2 2 346.475 1.671 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000940392601 700569340 /nfs/dbraw/zinc/56/93/40/700569340.db2.gz GFAVBBMPWZEZMK-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397442 700594742 /nfs/dbraw/zinc/59/47/42/700594742.db2.gz MDJWLOMTLUQRAF-UHFFFAOYSA-N 2 2 331.420 1.674 20 0 EDADLP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000940426329 700620238 /nfs/dbraw/zinc/62/02/38/700620238.db2.gz QJPVRRCQFDJJRK-UHFFFAOYSA-N 2 2 344.463 1.592 20 0 EDADLP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000940441304 700642725 /nfs/dbraw/zinc/64/27/25/700642725.db2.gz CNCWRMXZPBNWKC-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940444849 700646698 /nfs/dbraw/zinc/64/66/98/700646698.db2.gz FMLDSULYLPOQRF-UHFFFAOYSA-N 2 2 344.463 1.257 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)no1 ZINC000940621528 700782742 /nfs/dbraw/zinc/78/27/42/700782742.db2.gz SVVABHHCOCTEIM-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)no1 ZINC000940621528 700782743 /nfs/dbraw/zinc/78/27/43/700782743.db2.gz SVVABHHCOCTEIM-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)no1 ZINC000940621528 700782745 /nfs/dbraw/zinc/78/27/45/700782745.db2.gz SVVABHHCOCTEIM-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)no1 ZINC000940621528 700782747 /nfs/dbraw/zinc/78/27/47/700782747.db2.gz SVVABHHCOCTEIM-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cnns2)CC1(C)C ZINC000940624296 700785888 /nfs/dbraw/zinc/78/58/88/700785888.db2.gz COKAKOLAFSFVTO-KGLIPLIRSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cnns2)CC1(C)C ZINC000940624296 700785890 /nfs/dbraw/zinc/78/58/90/700785890.db2.gz COKAKOLAFSFVTO-KGLIPLIRSA-N 2 2 337.493 1.349 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000940624296 700785891 /nfs/dbraw/zinc/78/58/91/700785891.db2.gz COKAKOLAFSFVTO-KGLIPLIRSA-N 2 2 337.493 1.349 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000940624296 700785893 /nfs/dbraw/zinc/78/58/93/700785893.db2.gz COKAKOLAFSFVTO-KGLIPLIRSA-N 2 2 337.493 1.349 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnoc2C)CC1(C)C ZINC000940892245 700967373 /nfs/dbraw/zinc/96/73/73/700967373.db2.gz AOAJWWFHYSRBTR-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cnoc2C)CC1(C)C ZINC000940892245 700967374 /nfs/dbraw/zinc/96/73/74/700967374.db2.gz AOAJWWFHYSRBTR-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP CC(C)[NH2+]C[C@@H]1CC[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000995112074 701008742 /nfs/dbraw/zinc/00/87/42/701008742.db2.gz KXLLNBBRASHGLD-SJORKVTESA-N 2 2 337.508 1.914 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941029729 701070537 /nfs/dbraw/zinc/07/05/37/701070537.db2.gz ZWZUNPRMQRSJOY-HNNXBMFYSA-N 2 2 349.479 1.518 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941029729 701070539 /nfs/dbraw/zinc/07/05/39/701070539.db2.gz ZWZUNPRMQRSJOY-HNNXBMFYSA-N 2 2 349.479 1.518 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941029729 701070541 /nfs/dbraw/zinc/07/05/41/701070541.db2.gz ZWZUNPRMQRSJOY-HNNXBMFYSA-N 2 2 349.479 1.518 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941029729 701070543 /nfs/dbraw/zinc/07/05/43/701070543.db2.gz ZWZUNPRMQRSJOY-HNNXBMFYSA-N 2 2 349.479 1.518 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164636 701230063 /nfs/dbraw/zinc/23/00/63/701230063.db2.gz WIXIRPAOZNMASZ-CVEARBPZSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164636 701230066 /nfs/dbraw/zinc/23/00/66/701230066.db2.gz WIXIRPAOZNMASZ-CVEARBPZSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164636 701230069 /nfs/dbraw/zinc/23/00/69/701230069.db2.gz WIXIRPAOZNMASZ-CVEARBPZSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941164636 701230072 /nfs/dbraw/zinc/23/00/72/701230072.db2.gz WIXIRPAOZNMASZ-CVEARBPZSA-N 2 2 347.507 1.479 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001031932225 701384213 /nfs/dbraw/zinc/38/42/13/701384213.db2.gz YLSSFBCJOWSCGX-UHFFFAOYSA-N 2 2 334.445 1.660 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247132 701424027 /nfs/dbraw/zinc/42/40/27/701424027.db2.gz DCXFEEDQMJQUKC-ZBFHGGJFSA-N 2 2 342.447 1.651 20 0 EDADLP C[C@H](c1cnccn1)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247132 701424028 /nfs/dbraw/zinc/42/40/28/701424028.db2.gz DCXFEEDQMJQUKC-ZBFHGGJFSA-N 2 2 342.447 1.651 20 0 EDADLP CC1(C)CO[C@H](C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1 ZINC000941247484 701424476 /nfs/dbraw/zinc/42/44/76/701424476.db2.gz MJCWTSUYRYXKKU-HOTGVXAUSA-N 2 2 348.491 1.915 20 0 EDADLP CC1(C)CO[C@H](C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1 ZINC000941247484 701424477 /nfs/dbraw/zinc/42/44/77/701424477.db2.gz MJCWTSUYRYXKKU-HOTGVXAUSA-N 2 2 348.491 1.915 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941456691 701543085 /nfs/dbraw/zinc/54/30/85/701543085.db2.gz SCUOUETUZSQQJX-UHFFFAOYSA-N 2 2 345.422 1.365 20 0 EDADLP C[C@H]1C[N@H+](CCF)CC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000943952246 701711932 /nfs/dbraw/zinc/71/19/32/701711932.db2.gz YONNRYOCEWIASU-DZGCQCFKSA-N 2 2 331.395 1.677 20 0 EDADLP C[C@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000943952246 701711935 /nfs/dbraw/zinc/71/19/35/701711935.db2.gz YONNRYOCEWIASU-DZGCQCFKSA-N 2 2 331.395 1.677 20 0 EDADLP O=C1SCCN1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000183518459 701796322 /nfs/dbraw/zinc/79/63/22/701796322.db2.gz JYSJIRGICFSQQG-UHFFFAOYSA-N 2 2 327.494 1.937 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)cn1 ZINC001032129323 701817932 /nfs/dbraw/zinc/81/79/32/701817932.db2.gz VQINBZLDUVUEEV-ZWKOTPCHSA-N 2 2 345.491 1.453 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031978073 701985976 /nfs/dbraw/zinc/98/59/76/701985976.db2.gz NQLHJRWLPPXCQS-DZGCQCFKSA-N 2 2 342.443 1.574 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001031978073 701985981 /nfs/dbraw/zinc/98/59/81/701985981.db2.gz NQLHJRWLPPXCQS-DZGCQCFKSA-N 2 2 342.443 1.574 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC000995182645 702086217 /nfs/dbraw/zinc/08/62/17/702086217.db2.gz JMHPESMBLBRLAY-HUUCEWRRSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1conc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995182613 702086241 /nfs/dbraw/zinc/08/62/41/702086241.db2.gz JJXWJOIBCUOKPM-KGLIPLIRSA-N 2 2 331.420 1.632 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000995822326 702091672 /nfs/dbraw/zinc/09/16/72/702091672.db2.gz KDATYVRAGKZVGK-CABCVRRESA-N 2 2 349.504 1.207 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC000995183723 702114070 /nfs/dbraw/zinc/11/40/70/702114070.db2.gz KXUPMZCEMTYYPY-KBPBESRZSA-N 2 2 330.436 1.069 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000995886788 702223153 /nfs/dbraw/zinc/22/31/53/702223153.db2.gz NWBMFFVVBOGYOK-GJZGRUSLSA-N 2 2 349.479 1.579 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000995886788 702223158 /nfs/dbraw/zinc/22/31/58/702223158.db2.gz NWBMFFVVBOGYOK-GJZGRUSLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)n1 ZINC000995889547 702229669 /nfs/dbraw/zinc/22/96/69/702229669.db2.gz WCPQCCGVYMYLEC-GXTWGEPZSA-N 2 2 349.479 1.750 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1cccnc1 ZINC000995920269 702241642 /nfs/dbraw/zinc/24/16/42/702241642.db2.gz ACEPNRYRIBKTMO-BFYDXBDKSA-N 2 2 339.443 1.935 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccnc1 ZINC000995920269 702241644 /nfs/dbraw/zinc/24/16/44/702241644.db2.gz ACEPNRYRIBKTMO-BFYDXBDKSA-N 2 2 339.443 1.935 20 0 EDADLP Cn1nccc1C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC000995921266 702243602 /nfs/dbraw/zinc/24/36/02/702243602.db2.gz FPPFCUDPHOKXDO-FMKPAKJESA-N 2 2 342.447 1.274 20 0 EDADLP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996104668 702521476 /nfs/dbraw/zinc/52/14/76/702521476.db2.gz DNNZVFRWKDHVNV-MRXNPFEDSA-N 2 2 345.447 1.850 20 0 EDADLP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996188785 702593997 /nfs/dbraw/zinc/59/39/97/702593997.db2.gz HWFVFYPDTGKAHH-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996188785 702593998 /nfs/dbraw/zinc/59/39/98/702593998.db2.gz HWFVFYPDTGKAHH-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)ccn1 ZINC000996354445 702732032 /nfs/dbraw/zinc/73/20/32/702732032.db2.gz HRLJFKKABJNHDX-OAHLLOKOSA-N 2 2 343.431 1.383 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000996461830 702789769 /nfs/dbraw/zinc/78/97/69/702789769.db2.gz PYFGQPVXURUYER-AWEZNQCLSA-N 2 2 331.395 1.513 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCc1ccns1 ZINC000996458898 702803305 /nfs/dbraw/zinc/80/33/05/702803305.db2.gz XHGPDDGFLXOEIJ-ZDUSSCGKSA-N 2 2 333.461 1.478 20 0 EDADLP CCc1onc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995232242 702847857 /nfs/dbraw/zinc/84/78/57/702847857.db2.gz CUXXSRZXMULBSM-CABCVRRESA-N 2 2 345.447 1.817 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996516595 702852381 /nfs/dbraw/zinc/85/23/81/702852381.db2.gz BPZLQQMKGNEDDE-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996516595 702852383 /nfs/dbraw/zinc/85/23/83/702852383.db2.gz BPZLQQMKGNEDDE-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]C[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996563963 702885141 /nfs/dbraw/zinc/88/51/41/702885141.db2.gz RGMNCXKMHNIALZ-HOCLYGCPSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000995241684 702899838 /nfs/dbraw/zinc/89/98/38/702899838.db2.gz NKFXSSLDBGHMLW-ZIAGYGMSSA-N 2 2 333.461 1.723 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)no1 ZINC000996733076 703029891 /nfs/dbraw/zinc/02/98/91/703029891.db2.gz RCORPEZWZPJAIH-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996754294 703043196 /nfs/dbraw/zinc/04/31/96/703043196.db2.gz CHJJUKBIGXVNNV-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996754853 703043640 /nfs/dbraw/zinc/04/36/40/703043640.db2.gz DEWMIWAWZSKLMY-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP CCCc1noc(C[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC000996797719 703089902 /nfs/dbraw/zinc/08/99/02/703089902.db2.gz JDMCTFBZOUOGJG-UHFFFAOYSA-N 2 2 346.435 1.308 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942596612 703110926 /nfs/dbraw/zinc/11/09/26/703110926.db2.gz CVHJODJMMBGLEJ-WMLDXEAASA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942596612 703110927 /nfs/dbraw/zinc/11/09/27/703110927.db2.gz CVHJODJMMBGLEJ-WMLDXEAASA-N 2 2 345.491 1.453 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942597105 703112092 /nfs/dbraw/zinc/11/20/92/703112092.db2.gz ISIIFIWABYJZKC-ZFWWWQNUSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942597105 703112093 /nfs/dbraw/zinc/11/20/93/703112093.db2.gz ISIIFIWABYJZKC-ZFWWWQNUSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)c(C)o1 ZINC000996833377 703116061 /nfs/dbraw/zinc/11/60/61/703116061.db2.gz HRHKLDSMNUQSJK-UHFFFAOYSA-N 2 2 345.447 1.738 20 0 EDADLP CCn1ccnc1C[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996835163 703122587 /nfs/dbraw/zinc/12/25/87/703122587.db2.gz QBFPLBIIYRFPKK-UHFFFAOYSA-N 2 2 344.463 1.350 20 0 EDADLP Cc1cncc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)c1 ZINC000996857534 703141753 /nfs/dbraw/zinc/14/17/53/703141753.db2.gz CIPWAIOMCNGZNT-UHFFFAOYSA-N 2 2 327.432 1.757 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996861533 703144689 /nfs/dbraw/zinc/14/46/89/703144689.db2.gz YMRPPLBEOWPIKO-UHFFFAOYSA-N 2 2 333.461 1.553 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CCO1 ZINC000996861715 703144760 /nfs/dbraw/zinc/14/47/60/703144760.db2.gz ZRBUKRLFWGIEFB-HZPDHXFCSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)cn1 ZINC001032042327 703198035 /nfs/dbraw/zinc/19/80/35/703198035.db2.gz AJJRNHVAVOMOAY-MSOLQXFVSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)cn1 ZINC001032042327 703198036 /nfs/dbraw/zinc/19/80/36/703198036.db2.gz AJJRNHVAVOMOAY-MSOLQXFVSA-N 2 2 343.475 1.350 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1)n1cc[nH+]c1 ZINC000997045311 703294012 /nfs/dbraw/zinc/29/40/12/703294012.db2.gz LLYSLFQEBOWJSX-HUUCEWRRSA-N 2 2 342.447 1.966 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1)n1cc[nH+]c1 ZINC000997045894 703294792 /nfs/dbraw/zinc/29/47/92/703294792.db2.gz OENPMXWYIQIFNA-RDJZCZTQSA-N 2 2 334.464 1.984 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000997085613 703331156 /nfs/dbraw/zinc/33/11/56/703331156.db2.gz PNAGMSUFQNMPMZ-HNNXBMFYSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000997085613 703331159 /nfs/dbraw/zinc/33/11/59/703331159.db2.gz PNAGMSUFQNMPMZ-HNNXBMFYSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997085642 703331191 /nfs/dbraw/zinc/33/11/91/703331191.db2.gz PTRPTAIHGTUDNN-CQSZACIVSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997085642 703331195 /nfs/dbraw/zinc/33/11/95/703331195.db2.gz PTRPTAIHGTUDNN-CQSZACIVSA-N 2 2 334.464 1.596 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000997125213 703383674 /nfs/dbraw/zinc/38/36/74/703383674.db2.gz LTUBRQMCMXOGAV-UHFFFAOYSA-N 2 2 339.852 1.843 20 0 EDADLP Cc1conc1C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997183583 703468889 /nfs/dbraw/zinc/46/88/89/703468889.db2.gz QREKPMFOFCFMIH-UHFFFAOYSA-N 2 2 331.420 1.765 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC000997179830 703469983 /nfs/dbraw/zinc/46/99/83/703469983.db2.gz KCKPYJOOLSAUPN-UHFFFAOYSA-N 2 2 331.420 1.348 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000997222446 703500097 /nfs/dbraw/zinc/50/00/97/703500097.db2.gz RNEKWOLYDULJNN-GOSISDBHSA-N 2 2 348.491 1.782 20 0 EDADLP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000997308317 703566217 /nfs/dbraw/zinc/56/62/17/703566217.db2.gz DMNKHFXTQKSVIQ-GFCCVEGCSA-N 2 2 346.435 1.479 20 0 EDADLP COCc1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000997413302 703668356 /nfs/dbraw/zinc/66/83/56/703668356.db2.gz JBVITPNVQMOYQH-UHFFFAOYSA-N 2 2 342.443 1.810 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997416330 703668944 /nfs/dbraw/zinc/66/89/44/703668944.db2.gz JRDVDBBVNHNFAQ-UHFFFAOYSA-N 2 2 344.463 1.750 20 0 EDADLP Cc1noc(CCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001032479588 703715534 /nfs/dbraw/zinc/71/55/34/703715534.db2.gz OVPSCAZAROSHRY-JYJNAYRXSA-N 2 2 347.463 1.080 20 0 EDADLP Cc1noc(CCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001032479588 703715536 /nfs/dbraw/zinc/71/55/36/703715536.db2.gz OVPSCAZAROSHRY-JYJNAYRXSA-N 2 2 347.463 1.080 20 0 EDADLP Cc1noc(CCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[NH+]2C)n1 ZINC001032479588 703715538 /nfs/dbraw/zinc/71/55/38/703715538.db2.gz OVPSCAZAROSHRY-JYJNAYRXSA-N 2 2 347.463 1.080 20 0 EDADLP Cc1noc(CCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[NH+]2C)n1 ZINC001032479588 703715540 /nfs/dbraw/zinc/71/55/40/703715540.db2.gz OVPSCAZAROSHRY-JYJNAYRXSA-N 2 2 347.463 1.080 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001015997282 703726896 /nfs/dbraw/zinc/72/68/96/703726896.db2.gz ZJTYWPSTIKRMPR-RYUDHWBXSA-N 2 2 345.274 1.737 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001015997282 703726897 /nfs/dbraw/zinc/72/68/97/703726897.db2.gz ZJTYWPSTIKRMPR-RYUDHWBXSA-N 2 2 345.274 1.737 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cnns2)CC1 ZINC000997516522 703765869 /nfs/dbraw/zinc/76/58/69/703765869.db2.gz RQIVZONPSOLFIO-WFASDCNBSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cnns2)CC1 ZINC000997516522 703765870 /nfs/dbraw/zinc/76/58/70/703765870.db2.gz RQIVZONPSOLFIO-WFASDCNBSA-N 2 2 337.493 1.349 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995553783 703965497 /nfs/dbraw/zinc/96/54/97/703965497.db2.gz TVWGBNHUNWETOY-KGLIPLIRSA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995553783 703965498 /nfs/dbraw/zinc/96/54/98/703965498.db2.gz TVWGBNHUNWETOY-KGLIPLIRSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1C ZINC001033071480 704098016 /nfs/dbraw/zinc/09/80/16/704098016.db2.gz DMQUMVXKFJHYCS-QZTJIDSGSA-N 2 2 347.507 1.634 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1C ZINC001033071480 704098019 /nfs/dbraw/zinc/09/80/19/704098019.db2.gz DMQUMVXKFJHYCS-QZTJIDSGSA-N 2 2 347.507 1.634 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)nn1C ZINC001033071480 704098022 /nfs/dbraw/zinc/09/80/22/704098022.db2.gz DMQUMVXKFJHYCS-QZTJIDSGSA-N 2 2 347.507 1.634 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)nn1C ZINC001033071480 704098026 /nfs/dbraw/zinc/09/80/26/704098026.db2.gz DMQUMVXKFJHYCS-QZTJIDSGSA-N 2 2 347.507 1.634 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC001033083470 704141632 /nfs/dbraw/zinc/14/16/32/704141632.db2.gz XIYRQAKBFMCNCF-IRXDYDNUSA-N 2 2 348.516 1.826 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC001033083470 704141633 /nfs/dbraw/zinc/14/16/33/704141633.db2.gz XIYRQAKBFMCNCF-IRXDYDNUSA-N 2 2 348.516 1.826 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001033092833 704169196 /nfs/dbraw/zinc/16/91/96/704169196.db2.gz WDFMWOAHNPTQDS-UMVBOHGHSA-N 2 2 336.436 1.056 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001033092833 704169197 /nfs/dbraw/zinc/16/91/97/704169197.db2.gz WDFMWOAHNPTQDS-UMVBOHGHSA-N 2 2 336.436 1.056 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001033092833 704169199 /nfs/dbraw/zinc/16/91/99/704169199.db2.gz WDFMWOAHNPTQDS-UMVBOHGHSA-N 2 2 336.436 1.056 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001033092833 704169201 /nfs/dbraw/zinc/16/92/01/704169201.db2.gz WDFMWOAHNPTQDS-UMVBOHGHSA-N 2 2 336.436 1.056 20 0 EDADLP CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000997725498 704621646 /nfs/dbraw/zinc/62/16/46/704621646.db2.gz GANFUPOGDRANMS-YJBOKZPZSA-N 2 2 337.508 1.866 20 0 EDADLP CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000997725498 704621648 /nfs/dbraw/zinc/62/16/48/704621648.db2.gz GANFUPOGDRANMS-YJBOKZPZSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1)[NH+]1CCCC1 ZINC001032557893 704735588 /nfs/dbraw/zinc/73/55/88/704735588.db2.gz VIBYGOXQPIYLGI-GJZGRUSLSA-N 2 2 348.516 1.845 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1)[NH+]1CCCC1 ZINC001032557893 704735589 /nfs/dbraw/zinc/73/55/89/704735589.db2.gz VIBYGOXQPIYLGI-GJZGRUSLSA-N 2 2 348.516 1.845 20 0 EDADLP Cc1nnsc1C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000997815442 704735757 /nfs/dbraw/zinc/73/57/57/704735757.db2.gz APAWZKUIPDHVTQ-UHFFFAOYSA-N 2 2 348.476 1.531 20 0 EDADLP Cc1nnsc1C[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000997815442 704735760 /nfs/dbraw/zinc/73/57/60/704735760.db2.gz APAWZKUIPDHVTQ-UHFFFAOYSA-N 2 2 348.476 1.531 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)cs1 ZINC000944944941 704798010 /nfs/dbraw/zinc/79/80/10/704798010.db2.gz OSXNKGGVOPOMBC-LRDDRELGSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)cs1 ZINC000944944941 704798011 /nfs/dbraw/zinc/79/80/11/704798011.db2.gz OSXNKGGVOPOMBC-LRDDRELGSA-N 2 2 347.488 1.983 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963468 704828830 /nfs/dbraw/zinc/82/88/30/704828830.db2.gz ALKWCBIBXOGDRB-JSGCOSHPSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944963468 704828835 /nfs/dbraw/zinc/82/88/35/704828835.db2.gz ALKWCBIBXOGDRB-JSGCOSHPSA-N 2 2 346.435 1.164 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944963715 704829644 /nfs/dbraw/zinc/82/96/44/704829644.db2.gz CUNPNVQGPYASDC-BXUZGUMPSA-N 2 2 348.476 1.378 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944963715 704829649 /nfs/dbraw/zinc/82/96/49/704829649.db2.gz CUNPNVQGPYASDC-BXUZGUMPSA-N 2 2 348.476 1.378 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)C[C@@H]1C ZINC000944963659 704829897 /nfs/dbraw/zinc/82/98/97/704829897.db2.gz BZBADBFOJDKWIB-DZGCQCFKSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)C[C@@H]1C ZINC000944963659 704829903 /nfs/dbraw/zinc/82/99/03/704829903.db2.gz BZBADBFOJDKWIB-DZGCQCFKSA-N 2 2 328.420 1.008 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(C[NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000998114538 705365023 /nfs/dbraw/zinc/36/50/23/705365023.db2.gz JSPQKQSHGZTBME-UHFFFAOYSA-N 2 2 344.419 1.241 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000998121876 705374252 /nfs/dbraw/zinc/37/42/52/705374252.db2.gz XNSINTAXDBSQST-GFCCVEGCSA-N 2 2 346.435 1.487 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)sn1 ZINC001015898450 705417069 /nfs/dbraw/zinc/41/70/69/705417069.db2.gz CQKNIKPBBSVKCU-OAHLLOKOSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)sn1 ZINC001015898450 705417071 /nfs/dbraw/zinc/41/70/71/705417071.db2.gz CQKNIKPBBSVKCU-OAHLLOKOSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)cn1 ZINC001015898485 705419092 /nfs/dbraw/zinc/41/90/92/705419092.db2.gz DZPJFPBQAPHTGF-DLBZAZTESA-N 2 2 345.491 1.768 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)cn1 ZINC001015898485 705419094 /nfs/dbraw/zinc/41/90/94/705419094.db2.gz DZPJFPBQAPHTGF-DLBZAZTESA-N 2 2 345.491 1.768 20 0 EDADLP CC(C)(C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1)c1c[nH+]c[nH]1 ZINC000998221045 705545741 /nfs/dbraw/zinc/54/57/41/705545741.db2.gz AHRQHZYAAYANCL-UHFFFAOYSA-N 2 2 342.447 1.506 20 0 EDADLP Cc1nocc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000998221611 705546810 /nfs/dbraw/zinc/54/68/10/705546810.db2.gz DZMCZJXKEAMIKZ-UHFFFAOYSA-N 2 2 331.420 1.287 20 0 EDADLP CC(C)(C(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1)c1c[nH+]c[nH]1 ZINC000998224045 705552115 /nfs/dbraw/zinc/55/21/15/705552115.db2.gz WDGKLBQUXMTVHR-HNNXBMFYSA-N 2 2 334.464 1.552 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)no1 ZINC000998269345 705652151 /nfs/dbraw/zinc/65/21/51/705652151.db2.gz MSGYSLRRNVKHGI-UHFFFAOYSA-N 2 2 335.452 1.056 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001032627747 705737987 /nfs/dbraw/zinc/73/79/87/705737987.db2.gz HPCUDHGWYCKIPV-SZMVWBNQSA-N 2 2 343.471 1.822 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001032627747 705737990 /nfs/dbraw/zinc/73/79/90/705737990.db2.gz HPCUDHGWYCKIPV-SZMVWBNQSA-N 2 2 343.471 1.822 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001032627747 705737994 /nfs/dbraw/zinc/73/79/94/705737994.db2.gz HPCUDHGWYCKIPV-SZMVWBNQSA-N 2 2 343.471 1.822 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001032627747 705737995 /nfs/dbraw/zinc/73/79/95/705737995.db2.gz HPCUDHGWYCKIPV-SZMVWBNQSA-N 2 2 343.471 1.822 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccns2)C1 ZINC001032629383 705750956 /nfs/dbraw/zinc/75/09/56/705750956.db2.gz UENXOWQFSRGSDZ-GJZGRUSLSA-N 2 2 348.516 1.703 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccns2)C1 ZINC001032629383 705750958 /nfs/dbraw/zinc/75/09/58/705750958.db2.gz UENXOWQFSRGSDZ-GJZGRUSLSA-N 2 2 348.516 1.703 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccns2)C1 ZINC001032629383 705750962 /nfs/dbraw/zinc/75/09/62/705750962.db2.gz UENXOWQFSRGSDZ-GJZGRUSLSA-N 2 2 348.516 1.703 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2ccns2)C1 ZINC001032629383 705750965 /nfs/dbraw/zinc/75/09/65/705750965.db2.gz UENXOWQFSRGSDZ-GJZGRUSLSA-N 2 2 348.516 1.703 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998985666 706402978 /nfs/dbraw/zinc/40/29/78/706402978.db2.gz CAZZAGWLXDVEHT-UHFFFAOYSA-N 2 2 343.431 1.145 20 0 EDADLP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)c1 ZINC000999413644 706923697 /nfs/dbraw/zinc/92/36/97/706923697.db2.gz SUNIWWSIZNQDDX-GVDBMIGSSA-N 2 2 339.443 1.997 20 0 EDADLP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)c1 ZINC000999413644 706923700 /nfs/dbraw/zinc/92/37/00/706923700.db2.gz SUNIWWSIZNQDDX-GVDBMIGSSA-N 2 2 339.443 1.997 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999475613 706984399 /nfs/dbraw/zinc/98/43/99/706984399.db2.gz ZTQXYRAEBLWGHM-UHFFFAOYSA-N 2 2 329.404 1.597 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)on1 ZINC000999535776 707036488 /nfs/dbraw/zinc/03/64/88/707036488.db2.gz MDZSLPNUQBQQAC-CABCVRRESA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946776744 707211607 /nfs/dbraw/zinc/21/16/07/707211607.db2.gz SDSYRUPUZAQQLA-XHSDSOJGSA-N 2 2 346.475 1.382 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946776744 707211611 /nfs/dbraw/zinc/21/16/11/707211611.db2.gz SDSYRUPUZAQQLA-XHSDSOJGSA-N 2 2 346.475 1.382 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999697722 707223376 /nfs/dbraw/zinc/22/33/76/707223376.db2.gz LFXZTQRYGRMCHY-UHFFFAOYSA-N 2 2 334.464 1.693 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccns2)C1 ZINC000999698617 707225232 /nfs/dbraw/zinc/22/52/32/707225232.db2.gz QXXPMMKCPGYTAA-UHFFFAOYSA-N 2 2 333.461 1.923 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2csnn2)C1 ZINC000999730403 707274355 /nfs/dbraw/zinc/27/43/55/707274355.db2.gz YTPZTJZUPVZQPK-CHWSQXEVSA-N 2 2 334.449 1.385 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033265739 707290258 /nfs/dbraw/zinc/29/02/58/707290258.db2.gz JITOCDPUFRXZGN-INIZCTEOSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033265739 707290262 /nfs/dbraw/zinc/29/02/62/707290262.db2.gz JITOCDPUFRXZGN-INIZCTEOSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1ncsc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999774421 707333631 /nfs/dbraw/zinc/33/36/31/707333631.db2.gz HDDIKEIIIUAACQ-CQSZACIVSA-N 2 2 347.488 1.898 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999745857 707345542 /nfs/dbraw/zinc/34/55/42/707345542.db2.gz DUCLNOYYYNDDGN-UHFFFAOYSA-N 2 2 342.443 1.532 20 0 EDADLP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)s1 ZINC000999745773 707345627 /nfs/dbraw/zinc/34/56/27/707345627.db2.gz BSYXSOHWXALQNO-UHFFFAOYSA-N 2 2 333.461 1.805 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC001033296492 707405708 /nfs/dbraw/zinc/40/57/08/707405708.db2.gz VQRMIWCLTSQQGR-AEFFLSMTSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC001033296492 707405710 /nfs/dbraw/zinc/40/57/10/707405710.db2.gz VQRMIWCLTSQQGR-AEFFLSMTSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1nncs1 ZINC001004904833 707598910 /nfs/dbraw/zinc/59/89/10/707598910.db2.gz ZSRLASLTACLZCA-KBPBESRZSA-N 2 2 348.476 1.602 20 0 EDADLP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC001004943495 707690269 /nfs/dbraw/zinc/69/02/69/707690269.db2.gz DOPWRXSVBDALBF-YOEHRIQHSA-N 2 2 342.447 1.610 20 0 EDADLP C[C@H]([NH2+]Cc1ccccn1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004945213 707714309 /nfs/dbraw/zinc/71/43/09/707714309.db2.gz JLEPTBWFCXGROZ-WMLDXEAASA-N 2 2 327.432 1.907 20 0 EDADLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)cn1 ZINC001032731086 707731343 /nfs/dbraw/zinc/73/13/43/707731343.db2.gz ZCDHCNLXXZDREH-PVAVHDDUSA-N 2 2 344.459 1.217 20 0 EDADLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)cn1 ZINC001032731086 707731346 /nfs/dbraw/zinc/73/13/46/707731346.db2.gz ZCDHCNLXXZDREH-PVAVHDDUSA-N 2 2 344.459 1.217 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001032731086 707731350 /nfs/dbraw/zinc/73/13/50/707731350.db2.gz ZCDHCNLXXZDREH-PVAVHDDUSA-N 2 2 344.459 1.217 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001032731086 707731352 /nfs/dbraw/zinc/73/13/52/707731352.db2.gz ZCDHCNLXXZDREH-PVAVHDDUSA-N 2 2 344.459 1.217 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001033417890 707801804 /nfs/dbraw/zinc/80/18/04/707801804.db2.gz BCOIZAQWNVRSSG-WMLDXEAASA-N 2 2 334.439 1.595 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001033417890 707801806 /nfs/dbraw/zinc/80/18/06/707801806.db2.gz BCOIZAQWNVRSSG-WMLDXEAASA-N 2 2 334.439 1.595 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(F)cn3)C2)C1 ZINC001033417890 707801808 /nfs/dbraw/zinc/80/18/08/707801808.db2.gz BCOIZAQWNVRSSG-WMLDXEAASA-N 2 2 334.439 1.595 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)C1 ZINC001033417890 707801811 /nfs/dbraw/zinc/80/18/11/707801811.db2.gz BCOIZAQWNVRSSG-WMLDXEAASA-N 2 2 334.439 1.595 20 0 EDADLP C[C@@H]([NH2+]Cc1cnns1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004975301 707808103 /nfs/dbraw/zinc/80/81/03/707808103.db2.gz CMDXCIZXYHITSD-IUODEOHRSA-N 2 2 348.476 1.374 20 0 EDADLP C[C@H]([NH2+]Cc1cccnc1)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004969073 707823976 /nfs/dbraw/zinc/82/39/76/707823976.db2.gz YTFQGYCOBAQETH-GOEBONIOSA-N 2 2 327.432 1.907 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1 ZINC001032753760 707826991 /nfs/dbraw/zinc/82/69/91/707826991.db2.gz LHAICQYRRIBAMN-JYJNAYRXSA-N 2 2 332.448 1.362 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC001033421006 707833105 /nfs/dbraw/zinc/83/31/05/707833105.db2.gz TZORHKUINLMDCP-WMLDXEAASA-N 2 2 331.464 1.160 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001033421006 707833108 /nfs/dbraw/zinc/83/31/08/707833108.db2.gz TZORHKUINLMDCP-WMLDXEAASA-N 2 2 331.464 1.160 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001033421006 707833110 /nfs/dbraw/zinc/83/31/10/707833110.db2.gz TZORHKUINLMDCP-WMLDXEAASA-N 2 2 331.464 1.160 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001033421006 707833112 /nfs/dbraw/zinc/83/31/12/707833112.db2.gz TZORHKUINLMDCP-WMLDXEAASA-N 2 2 331.464 1.160 20 0 EDADLP Cc1cccc(OCC[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001033458516 707909547 /nfs/dbraw/zinc/90/95/47/707909547.db2.gz QUPBLPONCUZREO-QGZVFWFLSA-N 2 2 342.443 1.872 20 0 EDADLP Cc1cccc(OCC[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001033458516 707909552 /nfs/dbraw/zinc/90/95/52/707909552.db2.gz QUPBLPONCUZREO-QGZVFWFLSA-N 2 2 342.443 1.872 20 0 EDADLP CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033554995 708221235 /nfs/dbraw/zinc/22/12/35/708221235.db2.gz UXZBUFCNGRHLIO-QGZVFWFLSA-N 2 2 328.416 1.401 20 0 EDADLP CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033554995 708221238 /nfs/dbraw/zinc/22/12/38/708221238.db2.gz UXZBUFCNGRHLIO-QGZVFWFLSA-N 2 2 328.416 1.401 20 0 EDADLP CCc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033593314 708293184 /nfs/dbraw/zinc/29/31/84/708293184.db2.gz KNFPYISKGIJZBR-HNNXBMFYSA-N 2 2 348.516 1.834 20 0 EDADLP CCc1nc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033593314 708293186 /nfs/dbraw/zinc/29/31/86/708293186.db2.gz KNFPYISKGIJZBR-HNNXBMFYSA-N 2 2 348.516 1.834 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)c(C)n1 ZINC001033595541 708299225 /nfs/dbraw/zinc/29/92/25/708299225.db2.gz UJSXBEAMBVENAZ-QGZVFWFLSA-N 2 2 341.459 1.707 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)c(C)n1 ZINC001033595541 708299229 /nfs/dbraw/zinc/29/92/29/708299229.db2.gz UJSXBEAMBVENAZ-QGZVFWFLSA-N 2 2 341.459 1.707 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c(C)s1 ZINC001033661598 708474811 /nfs/dbraw/zinc/47/48/11/708474811.db2.gz LUIPWBYYHFQXQQ-CABCVRRESA-N 2 2 336.505 1.744 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c(C)s1 ZINC001033661598 708474813 /nfs/dbraw/zinc/47/48/13/708474813.db2.gz LUIPWBYYHFQXQQ-CABCVRRESA-N 2 2 336.505 1.744 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001033661598 708474814 /nfs/dbraw/zinc/47/48/14/708474814.db2.gz LUIPWBYYHFQXQQ-CABCVRRESA-N 2 2 336.505 1.744 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001033661598 708474816 /nfs/dbraw/zinc/47/48/16/708474816.db2.gz LUIPWBYYHFQXQQ-CABCVRRESA-N 2 2 336.505 1.744 20 0 EDADLP C[C@H](O)C[NH+]1CCC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001002001560 708517813 /nfs/dbraw/zinc/51/78/13/708517813.db2.gz UDCJJRWADJQGOH-HNNXBMFYSA-N 2 2 342.443 1.695 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccon2)CC1 ZINC001002156087 708671045 /nfs/dbraw/zinc/67/10/45/708671045.db2.gz GKYNNPWZOOWNLG-KRWDZBQOSA-N 2 2 334.464 1.877 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccon2)CC1 ZINC001002156087 708671048 /nfs/dbraw/zinc/67/10/48/708671048.db2.gz GKYNNPWZOOWNLG-KRWDZBQOSA-N 2 2 334.464 1.877 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccon3)CC2)CC[N@@H+]1C ZINC001005414836 708933311 /nfs/dbraw/zinc/93/33/11/708933311.db2.gz ILCNBJAHIKPWBT-DLBZAZTESA-N 2 2 334.464 1.828 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccon3)CC2)CC[N@H+]1C ZINC001005414836 708933312 /nfs/dbraw/zinc/93/33/12/708933312.db2.gz ILCNBJAHIKPWBT-DLBZAZTESA-N 2 2 334.464 1.828 20 0 EDADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034008735 709219600 /nfs/dbraw/zinc/21/96/00/709219600.db2.gz BRYGHUNMLAGSRU-HOCLYGCPSA-N 2 2 343.431 1.185 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001034016393 709233352 /nfs/dbraw/zinc/23/33/52/709233352.db2.gz MTLIPTBOXCXTTJ-OAHLLOKOSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001034016393 709233353 /nfs/dbraw/zinc/23/33/53/709233353.db2.gz MTLIPTBOXCXTTJ-OAHLLOKOSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001034041998 709291082 /nfs/dbraw/zinc/29/10/82/709291082.db2.gz KBKJQOAIXKQPHV-DOTOQJQBSA-N 2 2 333.480 1.103 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001034041998 709291083 /nfs/dbraw/zinc/29/10/83/709291083.db2.gz KBKJQOAIXKQPHV-DOTOQJQBSA-N 2 2 333.480 1.103 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001034041998 709291084 /nfs/dbraw/zinc/29/10/84/709291084.db2.gz KBKJQOAIXKQPHV-DOTOQJQBSA-N 2 2 333.480 1.103 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001034041998 709291085 /nfs/dbraw/zinc/29/10/85/709291085.db2.gz KBKJQOAIXKQPHV-DOTOQJQBSA-N 2 2 333.480 1.103 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002792495 709400381 /nfs/dbraw/zinc/40/03/81/709400381.db2.gz PKVIBMGNYXCEKU-INIZCTEOSA-N 2 2 331.464 1.430 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002792495 709400385 /nfs/dbraw/zinc/40/03/85/709400385.db2.gz PKVIBMGNYXCEKU-INIZCTEOSA-N 2 2 331.464 1.430 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nocc3C)CC2)CC[N@@H+]1C ZINC001002858328 709466592 /nfs/dbraw/zinc/46/65/92/709466592.db2.gz CAFBWIUCAIHQQR-DOTOQJQBSA-N 2 2 334.464 1.794 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nocc3C)CC2)CC[N@H+]1C ZINC001002858328 709466593 /nfs/dbraw/zinc/46/65/93/709466593.db2.gz CAFBWIUCAIHQQR-DOTOQJQBSA-N 2 2 334.464 1.794 20 0 EDADLP Cn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001034207730 709555796 /nfs/dbraw/zinc/55/57/96/709555796.db2.gz OCXUMGDBZRJYNT-AEFFLSMTSA-N 2 2 345.491 1.233 20 0 EDADLP Cn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001034207730 709555798 /nfs/dbraw/zinc/55/57/98/709555798.db2.gz OCXUMGDBZRJYNT-AEFFLSMTSA-N 2 2 345.491 1.233 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](Cc2cnns2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034211464 709562000 /nfs/dbraw/zinc/56/20/00/709562000.db2.gz MZAWBCULKIOYKV-HOCLYGCPSA-N 2 2 349.504 1.351 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](Cc2cnns2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034211464 709562004 /nfs/dbraw/zinc/56/20/04/709562004.db2.gz MZAWBCULKIOYKV-HOCLYGCPSA-N 2 2 349.504 1.351 20 0 EDADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001043885266 709655601 /nfs/dbraw/zinc/65/56/01/709655601.db2.gz HLAQVRLYGIBZNR-SUMWQHHRSA-N 2 2 329.460 1.376 20 0 EDADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001043885266 709655606 /nfs/dbraw/zinc/65/56/06/709655606.db2.gz HLAQVRLYGIBZNR-SUMWQHHRSA-N 2 2 329.460 1.376 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001034272125 709679122 /nfs/dbraw/zinc/67/91/22/709679122.db2.gz RVQQQNMIGYFOPR-AEFFLSMTSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001034272125 709679124 /nfs/dbraw/zinc/67/91/24/709679124.db2.gz RVQQQNMIGYFOPR-AEFFLSMTSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001034272125 709679127 /nfs/dbraw/zinc/67/91/27/709679127.db2.gz RVQQQNMIGYFOPR-AEFFLSMTSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001034272125 709679130 /nfs/dbraw/zinc/67/91/30/709679130.db2.gz RVQQQNMIGYFOPR-AEFFLSMTSA-N 2 2 345.491 1.740 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2c3c(nn2C)CCC3)CCC[N@@H+]1C ZINC000922119439 709760683 /nfs/dbraw/zinc/76/06/83/709760683.db2.gz RLWITMIEZWXBFU-IFXJQAMLSA-N 2 2 342.491 1.815 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2c3c(nn2C)CCC3)CCC[N@H+]1C ZINC000922119439 709760685 /nfs/dbraw/zinc/76/06/85/709760685.db2.gz RLWITMIEZWXBFU-IFXJQAMLSA-N 2 2 342.491 1.815 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034393630 709927661 /nfs/dbraw/zinc/92/76/61/709927661.db2.gz FSFONOGSGPFKKM-LSDHHAIUSA-N 2 2 336.505 1.956 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034393630 709927667 /nfs/dbraw/zinc/92/76/67/709927667.db2.gz FSFONOGSGPFKKM-LSDHHAIUSA-N 2 2 336.505 1.956 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3ccns3)C2)C1 ZINC001034393630 709927671 /nfs/dbraw/zinc/92/76/71/709927671.db2.gz FSFONOGSGPFKKM-LSDHHAIUSA-N 2 2 336.505 1.956 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ccns3)C2)C1 ZINC001034393630 709927673 /nfs/dbraw/zinc/92/76/73/709927673.db2.gz FSFONOGSGPFKKM-LSDHHAIUSA-N 2 2 336.505 1.956 20 0 EDADLP [NH3+]CCC[N@H+](Cc1ccccc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000359285868 709934901 /nfs/dbraw/zinc/93/49/01/709934901.db2.gz WVQXSVFLZWLADQ-GOSISDBHSA-N 2 2 331.460 1.617 20 0 EDADLP [NH3+]CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000359285868 709934905 /nfs/dbraw/zinc/93/49/05/709934905.db2.gz WVQXSVFLZWLADQ-GOSISDBHSA-N 2 2 331.460 1.617 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001003191912 710090329 /nfs/dbraw/zinc/09/03/29/710090329.db2.gz AEGVQRKVPOFOTI-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034489776 710107901 /nfs/dbraw/zinc/10/79/01/710107901.db2.gz DLMQQGQGXYZHQG-LSDHHAIUSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034489776 710107904 /nfs/dbraw/zinc/10/79/04/710107904.db2.gz DLMQQGQGXYZHQG-LSDHHAIUSA-N 2 2 343.431 1.232 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001003205921 710116007 /nfs/dbraw/zinc/11/60/07/710116007.db2.gz FJKSADKBKNUAOJ-OCCSQVGLSA-N 2 2 334.464 1.439 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001003205921 710116011 /nfs/dbraw/zinc/11/60/11/710116011.db2.gz FJKSADKBKNUAOJ-OCCSQVGLSA-N 2 2 334.464 1.439 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034484479 710129162 /nfs/dbraw/zinc/12/91/62/710129162.db2.gz LRISEUHVEAYYOA-OAHLLOKOSA-N 2 2 345.447 1.738 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034484479 710129165 /nfs/dbraw/zinc/12/91/65/710129165.db2.gz LRISEUHVEAYYOA-OAHLLOKOSA-N 2 2 345.447 1.738 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003229509 710150524 /nfs/dbraw/zinc/15/05/24/710150524.db2.gz HPSFZRGXDXZMQI-KRWDZBQOSA-N 2 2 347.507 1.621 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003229509 710150527 /nfs/dbraw/zinc/15/05/27/710150527.db2.gz HPSFZRGXDXZMQI-KRWDZBQOSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034526962 710179885 /nfs/dbraw/zinc/17/98/85/710179885.db2.gz BHPIFQSVJIFZOC-HOTGVXAUSA-N 2 2 331.464 1.604 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034526962 710179887 /nfs/dbraw/zinc/17/98/87/710179887.db2.gz BHPIFQSVJIFZOC-HOTGVXAUSA-N 2 2 331.464 1.604 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001034529486 710184539 /nfs/dbraw/zinc/18/45/39/710184539.db2.gz IADXXSBLTVGLCI-GDBMZVCRSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001034529486 710184542 /nfs/dbraw/zinc/18/45/42/710184542.db2.gz IADXXSBLTVGLCI-GDBMZVCRSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)sn1 ZINC001034547747 710222405 /nfs/dbraw/zinc/22/24/05/710222405.db2.gz YQJXWWXKCCGNLD-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)sn1 ZINC001034547747 710222408 /nfs/dbraw/zinc/22/24/08/710222408.db2.gz YQJXWWXKCCGNLD-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP C[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001003389295 710309120 /nfs/dbraw/zinc/30/91/20/710309120.db2.gz QKGMIZKFKIKLOG-AWEZNQCLSA-N 2 2 328.416 1.447 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000922167035 710315224 /nfs/dbraw/zinc/31/52/24/710315224.db2.gz LMDHWAASCLBPBI-KRWDZBQOSA-N 2 2 327.432 1.819 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000922167035 710315227 /nfs/dbraw/zinc/31/52/27/710315227.db2.gz LMDHWAASCLBPBI-KRWDZBQOSA-N 2 2 327.432 1.819 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC001003508944 710390077 /nfs/dbraw/zinc/39/00/77/710390077.db2.gz VNZBSDHJOUISBR-GUTXKFCHSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC001003508944 710390080 /nfs/dbraw/zinc/39/00/80/710390080.db2.gz VNZBSDHJOUISBR-GUTXKFCHSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC001003547214 710413756 /nfs/dbraw/zinc/41/37/56/710413756.db2.gz IWANYGPBPTVHKJ-LBPRGKRZSA-N 2 2 334.468 1.097 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)c(C)o1 ZINC001003627006 710457120 /nfs/dbraw/zinc/45/71/20/710457120.db2.gz ZQDQCGHXFBNABA-CYBMUJFWSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)c(C)o1 ZINC001003627006 710457121 /nfs/dbraw/zinc/45/71/21/710457121.db2.gz ZQDQCGHXFBNABA-CYBMUJFWSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003631214 710460409 /nfs/dbraw/zinc/46/04/09/710460409.db2.gz ULFMBHMGWDMNHL-CHWSQXEVSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003631214 710460410 /nfs/dbraw/zinc/46/04/10/710460410.db2.gz ULFMBHMGWDMNHL-CHWSQXEVSA-N 2 2 335.452 1.361 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003737754 710518812 /nfs/dbraw/zinc/51/88/12/710518812.db2.gz QTDFTRZPKYHULV-KRWDZBQOSA-N 2 2 345.491 1.820 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001003737754 710518813 /nfs/dbraw/zinc/51/88/13/710518813.db2.gz QTDFTRZPKYHULV-KRWDZBQOSA-N 2 2 345.491 1.820 20 0 EDADLP CC(C)c1ocnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959204 710984047 /nfs/dbraw/zinc/98/40/47/710984047.db2.gz FQSAFMZOTFNZSO-GOEBONIOSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032959204 710984050 /nfs/dbraw/zinc/98/40/50/710984050.db2.gz FQSAFMZOTFNZSO-GOEBONIOSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032959204 710984055 /nfs/dbraw/zinc/98/40/55/710984055.db2.gz FQSAFMZOTFNZSO-GOEBONIOSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032959204 710984059 /nfs/dbraw/zinc/98/40/59/710984059.db2.gz FQSAFMZOTFNZSO-GOEBONIOSA-N 2 2 334.464 1.925 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001034761325 710995649 /nfs/dbraw/zinc/99/56/49/710995649.db2.gz KYMGRGLFXLUGTM-HDJSIYSDSA-N 2 2 343.431 1.573 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032966964 711025912 /nfs/dbraw/zinc/02/59/12/711025912.db2.gz GWZSAGTZZYKRHF-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032966964 711025914 /nfs/dbraw/zinc/02/59/14/711025914.db2.gz GWZSAGTZZYKRHF-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032966964 711025915 /nfs/dbraw/zinc/02/59/15/711025915.db2.gz GWZSAGTZZYKRHF-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032966964 711025916 /nfs/dbraw/zinc/02/59/16/711025916.db2.gz GWZSAGTZZYKRHF-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)sn1 ZINC001034764229 711038919 /nfs/dbraw/zinc/03/89/19/711038919.db2.gz RAYXKUWMRMRFCM-HAQNSBGRSA-N 2 2 349.460 1.635 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001032975087 711063388 /nfs/dbraw/zinc/06/33/88/711063388.db2.gz GKHKNHZORGESKH-DLBZAZTESA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001032975087 711063393 /nfs/dbraw/zinc/06/33/93/711063393.db2.gz GKHKNHZORGESKH-DLBZAZTESA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001032975087 711063399 /nfs/dbraw/zinc/06/33/99/711063399.db2.gz GKHKNHZORGESKH-DLBZAZTESA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001032975087 711063402 /nfs/dbraw/zinc/06/34/02/711063402.db2.gz GKHKNHZORGESKH-DLBZAZTESA-N 2 2 335.423 1.189 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)sn1 ZINC001034799496 711136152 /nfs/dbraw/zinc/13/61/52/711136152.db2.gz HPZCLDHVNKVYJS-JOCQHMNTSA-N 2 2 349.460 1.565 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1ncccn1 ZINC001034959292 711433907 /nfs/dbraw/zinc/43/39/07/711433907.db2.gz WJWICKAFEIIPKR-CABCVRRESA-N 2 2 340.431 1.331 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1nncs1 ZINC001034959511 711434324 /nfs/dbraw/zinc/43/43/24/711434324.db2.gz ZTYARPQDTXUTAU-CHWSQXEVSA-N 2 2 346.460 1.393 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001034936796 711437098 /nfs/dbraw/zinc/43/70/98/711437098.db2.gz WSDZRIUTDYZIPP-HZPDHXFCSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001034936796 711437099 /nfs/dbraw/zinc/43/70/99/711437099.db2.gz WSDZRIUTDYZIPP-HZPDHXFCSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001004161730 711588694 /nfs/dbraw/zinc/58/86/94/711588694.db2.gz XNGLVAYZONNMIH-NSHDSACASA-N 2 2 332.408 1.225 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004474454 711850674 /nfs/dbraw/zinc/85/06/74/711850674.db2.gz ONYFAUFNRQTBAG-DLBZAZTESA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004474454 711850675 /nfs/dbraw/zinc/85/06/75/711850675.db2.gz ONYFAUFNRQTBAG-DLBZAZTESA-N 2 2 346.475 1.141 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001033146157 712010319 /nfs/dbraw/zinc/01/03/19/712010319.db2.gz OBAJWACMRBWYEP-SJORKVTESA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001033146157 712010321 /nfs/dbraw/zinc/01/03/21/712010321.db2.gz OBAJWACMRBWYEP-SJORKVTESA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001033146157 712010322 /nfs/dbraw/zinc/01/03/22/712010322.db2.gz OBAJWACMRBWYEP-SJORKVTESA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001033146157 712010323 /nfs/dbraw/zinc/01/03/23/712010323.db2.gz OBAJWACMRBWYEP-SJORKVTESA-N 2 2 334.464 1.970 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([C@@H]2CCC[N@@H+]2Cc2cnon2)CC1 ZINC001004580665 712012706 /nfs/dbraw/zinc/01/27/06/712012706.db2.gz OKOXZJCFKXPMDS-INIZCTEOSA-N 2 2 344.419 1.238 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([C@@H]2CCC[N@H+]2Cc2cnon2)CC1 ZINC001004580665 712012708 /nfs/dbraw/zinc/01/27/08/712012708.db2.gz OKOXZJCFKXPMDS-INIZCTEOSA-N 2 2 344.419 1.238 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061543242 712310861 /nfs/dbraw/zinc/31/08/61/712310861.db2.gz WZNUGAXXSPPGTM-HZPDHXFCSA-N 2 2 331.464 1.439 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000557627404 306231116 /nfs/dbraw/zinc/23/11/16/306231116.db2.gz ZLMABMIJKJFLLW-INIZCTEOSA-N 2 2 332.448 1.016 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000172977797 282223433 /nfs/dbraw/zinc/22/34/33/282223433.db2.gz KBRGDEAZMAMZPX-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000172977797 282223437 /nfs/dbraw/zinc/22/34/37/282223437.db2.gz KBRGDEAZMAMZPX-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@]1(COC)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000357281762 282254939 /nfs/dbraw/zinc/25/49/39/282254939.db2.gz BZYWQNYGPLWZET-SJLPKXTDSA-N 2 2 341.496 1.008 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CC(=O)NC(C)(C)C)CCC[NH+]1C ZINC000330587596 282351855 /nfs/dbraw/zinc/35/18/55/282351855.db2.gz XFLBGTZSCZWXHK-WMLDXEAASA-N 2 2 335.496 1.650 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CC(=O)NC(C)(C)C)CCC[NH+]1C ZINC000330587596 282351858 /nfs/dbraw/zinc/35/18/58/282351858.db2.gz XFLBGTZSCZWXHK-WMLDXEAASA-N 2 2 335.496 1.650 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)NC(C)(C)C)CCC[N@@H+]1C ZINC000330587596 282351861 /nfs/dbraw/zinc/35/18/61/282351861.db2.gz XFLBGTZSCZWXHK-WMLDXEAASA-N 2 2 335.496 1.650 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)NC(C)(C)C)CCC[N@H+]1C ZINC000330587596 282351863 /nfs/dbraw/zinc/35/18/63/282351863.db2.gz XFLBGTZSCZWXHK-WMLDXEAASA-N 2 2 335.496 1.650 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000133120351 530062588 /nfs/dbraw/zinc/06/25/88/530062588.db2.gz MPHRDCIRHZZZMC-INIZCTEOSA-N 2 2 348.466 1.866 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000133120351 530062589 /nfs/dbraw/zinc/06/25/89/530062589.db2.gz MPHRDCIRHZZZMC-INIZCTEOSA-N 2 2 348.466 1.866 20 0 EDADLP C[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000177977929 232047116 /nfs/dbraw/zinc/04/71/16/232047116.db2.gz FQJOEAVDEYBHQM-GOSISDBHSA-N 2 2 349.500 1.631 20 0 EDADLP C[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000177977929 232047119 /nfs/dbraw/zinc/04/71/19/232047119.db2.gz FQJOEAVDEYBHQM-GOSISDBHSA-N 2 2 349.500 1.631 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101631267 219148458 /nfs/dbraw/zinc/14/84/58/219148458.db2.gz GKGAIKLXYYAVDO-BBWFWOEESA-N 2 2 330.476 1.987 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101631267 219148461 /nfs/dbraw/zinc/14/84/61/219148461.db2.gz GKGAIKLXYYAVDO-BBWFWOEESA-N 2 2 330.476 1.987 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@@H+](C2CC2)C1 ZINC000560539684 306273992 /nfs/dbraw/zinc/27/39/92/306273992.db2.gz IIMFIUZZXFOAHO-CZUORRHYSA-N 2 2 331.464 1.997 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@H+](C2CC2)C1 ZINC000560539684 306273993 /nfs/dbraw/zinc/27/39/93/306273993.db2.gz IIMFIUZZXFOAHO-CZUORRHYSA-N 2 2 331.464 1.997 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561191283 306284269 /nfs/dbraw/zinc/28/42/69/306284269.db2.gz CDKDTULCESCUOI-GLQYFDAESA-N 2 2 340.830 1.967 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561191283 306284270 /nfs/dbraw/zinc/28/42/70/306284270.db2.gz CDKDTULCESCUOI-GLQYFDAESA-N 2 2 340.830 1.967 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](CCO)Cc2ccccc2OC)CC1 ZINC000103228610 219272352 /nfs/dbraw/zinc/27/23/52/219272352.db2.gz YQERSJWRGWGMSN-UHFFFAOYSA-N 2 2 349.475 1.090 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCO)Cc2ccccc2OC)CC1 ZINC000103228610 219272355 /nfs/dbraw/zinc/27/23/55/219272355.db2.gz YQERSJWRGWGMSN-UHFFFAOYSA-N 2 2 349.475 1.090 20 0 EDADLP C[NH+]1CCC(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000103320490 219290697 /nfs/dbraw/zinc/29/06/97/219290697.db2.gz OTFNNMIKQDWDOW-UHFFFAOYSA-N 2 2 331.464 1.645 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)[N@H+](C)C1 ZINC000343314301 539784947 /nfs/dbraw/zinc/78/49/47/539784947.db2.gz AAOJYHBIGYMHNE-ROUUACIJSA-N 2 2 331.460 1.092 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)[N@@H+](C)C1 ZINC000343314301 539784950 /nfs/dbraw/zinc/78/49/50/539784950.db2.gz AAOJYHBIGYMHNE-ROUUACIJSA-N 2 2 331.460 1.092 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984353 306314814 /nfs/dbraw/zinc/31/48/14/306314814.db2.gz JNTSHGCGAHURRO-AZUAARDMSA-N 3 2 331.504 1.596 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984353 306314815 /nfs/dbraw/zinc/31/48/15/306314815.db2.gz JNTSHGCGAHURRO-AZUAARDMSA-N 3 2 331.504 1.596 20 0 EDADLP C[NH+](C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984353 306314816 /nfs/dbraw/zinc/31/48/16/306314816.db2.gz JNTSHGCGAHURRO-AZUAARDMSA-N 3 2 331.504 1.596 20 0 EDADLP C[NH+](C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984353 306314817 /nfs/dbraw/zinc/31/48/17/306314817.db2.gz JNTSHGCGAHURRO-AZUAARDMSA-N 3 2 331.504 1.596 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000290803270 540091073 /nfs/dbraw/zinc/09/10/73/540091073.db2.gz YVCRFNSWZMAJTQ-MRXNPFEDSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000290803270 540091077 /nfs/dbraw/zinc/09/10/77/540091077.db2.gz YVCRFNSWZMAJTQ-MRXNPFEDSA-N 2 2 327.432 1.884 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385723002 540189068 /nfs/dbraw/zinc/18/90/68/540189068.db2.gz NJHRGNZVNNWLTM-MJGOQNOKSA-N 3 2 344.503 1.261 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385723002 540189074 /nfs/dbraw/zinc/18/90/74/540189074.db2.gz NJHRGNZVNNWLTM-MJGOQNOKSA-N 3 2 344.503 1.261 20 0 EDADLP C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000413055623 304053645 /nfs/dbraw/zinc/05/36/45/304053645.db2.gz UFMGLBYZXXXWMJ-INIZCTEOSA-N 2 2 327.432 1.799 20 0 EDADLP C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000413055623 304053646 /nfs/dbraw/zinc/05/36/46/304053646.db2.gz UFMGLBYZXXXWMJ-INIZCTEOSA-N 2 2 327.432 1.799 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)C1 ZINC000413072692 304055983 /nfs/dbraw/zinc/05/59/83/304055983.db2.gz NENXODPFZBSINA-BZUAXINKSA-N 2 2 333.480 1.828 20 0 EDADLP CCC[N@H+]1CC[C@H](CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)C1 ZINC000413072692 304055984 /nfs/dbraw/zinc/05/59/84/304055984.db2.gz NENXODPFZBSINA-BZUAXINKSA-N 2 2 333.480 1.828 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)C1 ZINC000413072692 304055985 /nfs/dbraw/zinc/05/59/85/304055985.db2.gz NENXODPFZBSINA-BZUAXINKSA-N 2 2 333.480 1.828 20 0 EDADLP CCC[N@H+]1CC[C@H](CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)C1 ZINC000413072692 304055986 /nfs/dbraw/zinc/05/59/86/304055986.db2.gz NENXODPFZBSINA-BZUAXINKSA-N 2 2 333.480 1.828 20 0 EDADLP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCCCn1cc[nH+]c1 ZINC000063663165 138168577 /nfs/dbraw/zinc/16/85/77/138168577.db2.gz SZGIMBDKSYBMPS-UHFFFAOYSA-N 2 2 341.459 1.207 20 0 EDADLP CC[C@@](C)(O)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767343 138238947 /nfs/dbraw/zinc/23/89/47/138238947.db2.gz PBWMZLCWELJVFU-QGZVFWFLSA-N 2 2 340.512 1.397 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000092165685 138286594 /nfs/dbraw/zinc/28/65/94/138286594.db2.gz QQNGXMQNOPSVJX-UHFFFAOYSA-N 3 2 346.523 1.535 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000092165685 138286595 /nfs/dbraw/zinc/28/65/95/138286595.db2.gz QQNGXMQNOPSVJX-UHFFFAOYSA-N 3 2 346.523 1.535 20 0 EDADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000091282981 138283793 /nfs/dbraw/zinc/28/37/93/138283793.db2.gz HHXJRIDRQXFCTA-CYBMUJFWSA-N 2 2 344.440 1.875 20 0 EDADLP CN(C(=O)c1cnn(C)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124779369 138329618 /nfs/dbraw/zinc/32/96/18/138329618.db2.gz WTDAEKOUTXKDPX-ZWKOTPCHSA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1cnn(C)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124779369 138329619 /nfs/dbraw/zinc/32/96/19/138329619.db2.gz WTDAEKOUTXKDPX-ZWKOTPCHSA-N 2 2 347.507 1.829 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000123786878 138321260 /nfs/dbraw/zinc/32/12/60/138321260.db2.gz OOCZZINJQOZPOQ-ZDUSSCGKSA-N 2 2 343.456 1.944 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000123786878 138321261 /nfs/dbraw/zinc/32/12/61/138321261.db2.gz OOCZZINJQOZPOQ-ZDUSSCGKSA-N 2 2 343.456 1.944 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000131427937 138359113 /nfs/dbraw/zinc/35/91/13/138359113.db2.gz GBRTWXUDDKENHY-MRXNPFEDSA-N 2 2 345.443 1.372 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000131427937 138359116 /nfs/dbraw/zinc/35/91/16/138359116.db2.gz GBRTWXUDDKENHY-MRXNPFEDSA-N 2 2 345.443 1.372 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000131614320 138362593 /nfs/dbraw/zinc/36/25/93/138362593.db2.gz AQTVVZDJWDDHMO-CVEARBPZSA-N 2 2 347.463 1.200 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000131614320 138362594 /nfs/dbraw/zinc/36/25/94/138362594.db2.gz AQTVVZDJWDDHMO-CVEARBPZSA-N 2 2 347.463 1.200 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000365496250 283254805 /nfs/dbraw/zinc/25/48/05/283254805.db2.gz GMOKBQXXYQPLCX-KRWDZBQOSA-N 2 2 344.459 1.337 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000365496250 283254806 /nfs/dbraw/zinc/25/48/06/283254806.db2.gz GMOKBQXXYQPLCX-KRWDZBQOSA-N 2 2 344.459 1.337 20 0 EDADLP Cc1cc(Br)cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000563796991 306347454 /nfs/dbraw/zinc/34/74/54/306347454.db2.gz IRXARLXKBDFZNU-ZDUSSCGKSA-N 2 2 341.253 1.864 20 0 EDADLP Cc1cc(Br)cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000563796991 306347455 /nfs/dbraw/zinc/34/74/55/306347455.db2.gz IRXARLXKBDFZNU-ZDUSSCGKSA-N 2 2 341.253 1.864 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364661424 283342649 /nfs/dbraw/zinc/34/26/49/283342649.db2.gz RTSHRZRZIGFJCO-HPBDAGMYSA-N 2 2 331.435 1.638 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364661424 283342653 /nfs/dbraw/zinc/34/26/53/283342653.db2.gz RTSHRZRZIGFJCO-HPBDAGMYSA-N 2 2 331.435 1.638 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364661424 283342655 /nfs/dbraw/zinc/34/26/55/283342655.db2.gz RTSHRZRZIGFJCO-HPBDAGMYSA-N 2 2 331.435 1.638 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364661424 283342658 /nfs/dbraw/zinc/34/26/58/283342658.db2.gz RTSHRZRZIGFJCO-HPBDAGMYSA-N 2 2 331.435 1.638 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000564553927 306360517 /nfs/dbraw/zinc/36/05/17/306360517.db2.gz KPLGELNEPSQHHR-VPKNTQAGSA-N 2 2 347.459 1.307 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000564793281 306365010 /nfs/dbraw/zinc/36/50/10/306365010.db2.gz HXWPGUPROFZSDZ-FZMZJTMJSA-N 2 2 340.265 1.767 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129392093 223050753 /nfs/dbraw/zinc/05/07/53/223050753.db2.gz HVPUXBDTDDJFIZ-SFHVURJKSA-N 2 2 345.487 1.608 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129392093 223050757 /nfs/dbraw/zinc/05/07/57/223050757.db2.gz HVPUXBDTDDJFIZ-SFHVURJKSA-N 2 2 345.487 1.608 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940238 296024939 /nfs/dbraw/zinc/02/49/39/296024939.db2.gz LCTRDKDFWVBYQZ-UKRRQHHQSA-N 2 2 325.478 1.496 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940238 296024940 /nfs/dbraw/zinc/02/49/40/296024940.db2.gz LCTRDKDFWVBYQZ-UKRRQHHQSA-N 2 2 325.478 1.496 20 0 EDADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000565301114 306381156 /nfs/dbraw/zinc/38/11/56/306381156.db2.gz LNPPMYZZIVWPJK-SFHVURJKSA-N 2 2 346.475 1.379 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000414329893 304107024 /nfs/dbraw/zinc/10/70/24/304107024.db2.gz BVFPSHPHYPOZRP-KBPBESRZSA-N 2 2 325.478 1.696 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000414329893 304107026 /nfs/dbraw/zinc/10/70/26/304107026.db2.gz BVFPSHPHYPOZRP-KBPBESRZSA-N 2 2 325.478 1.696 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000414329897 304107209 /nfs/dbraw/zinc/10/72/09/304107209.db2.gz BVFPSHPHYPOZRP-UONOGXRCSA-N 2 2 325.478 1.696 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000414329897 304107210 /nfs/dbraw/zinc/10/72/10/304107210.db2.gz BVFPSHPHYPOZRP-UONOGXRCSA-N 2 2 325.478 1.696 20 0 EDADLP C[C@@H](CO)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000132069907 223297282 /nfs/dbraw/zinc/29/72/82/223297282.db2.gz GHPUAPISCDCEGE-AWEZNQCLSA-N 2 2 337.489 1.487 20 0 EDADLP C[C@@H](CO)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000132069907 223297286 /nfs/dbraw/zinc/29/72/86/223297286.db2.gz GHPUAPISCDCEGE-AWEZNQCLSA-N 2 2 337.489 1.487 20 0 EDADLP CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414354805 304110538 /nfs/dbraw/zinc/11/05/38/304110538.db2.gz XZVOJUGPFAMJGR-MRXNPFEDSA-N 2 2 329.448 1.275 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841302 306393371 /nfs/dbraw/zinc/39/33/71/306393371.db2.gz RGOLRZRLZJSARU-HOTGVXAUSA-N 2 2 334.464 1.353 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841302 306393372 /nfs/dbraw/zinc/39/33/72/306393372.db2.gz RGOLRZRLZJSARU-HOTGVXAUSA-N 2 2 334.464 1.353 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841302 306393373 /nfs/dbraw/zinc/39/33/73/306393373.db2.gz RGOLRZRLZJSARU-HOTGVXAUSA-N 2 2 334.464 1.353 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841302 306393374 /nfs/dbraw/zinc/39/33/74/306393374.db2.gz RGOLRZRLZJSARU-HOTGVXAUSA-N 2 2 334.464 1.353 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000376713546 296057411 /nfs/dbraw/zinc/05/74/11/296057411.db2.gz WAOUCDHUHUHVIW-RDGPPVDQSA-N 2 2 347.503 1.430 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000376713546 296057414 /nfs/dbraw/zinc/05/74/14/296057414.db2.gz WAOUCDHUHUHVIW-RDGPPVDQSA-N 2 2 347.503 1.430 20 0 EDADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376713546 296057415 /nfs/dbraw/zinc/05/74/15/296057415.db2.gz WAOUCDHUHUHVIW-RDGPPVDQSA-N 2 2 347.503 1.430 20 0 EDADLP O=C([C@@H]1COCC[NH+]1CC1CCC1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000376713546 296057417 /nfs/dbraw/zinc/05/74/17/296057417.db2.gz WAOUCDHUHUHVIW-RDGPPVDQSA-N 2 2 347.503 1.430 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000345311115 299355968 /nfs/dbraw/zinc/35/59/68/299355968.db2.gz YRPUZMVPCQQMQA-QUCGAITQSA-N 2 2 332.448 1.772 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000414694630 304128215 /nfs/dbraw/zinc/12/82/15/304128215.db2.gz NGBFLZYHNURSCA-ROUUACIJSA-N 2 2 326.529 1.087 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)n1C ZINC000566496196 306416967 /nfs/dbraw/zinc/41/69/67/306416967.db2.gz CUSTVRHAULOORW-OAHLLOKOSA-N 2 2 328.416 1.498 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1C ZINC000414829584 304145806 /nfs/dbraw/zinc/14/58/06/304145806.db2.gz LCEOTMIACCURRY-QGZVFWFLSA-N 2 2 330.432 1.853 20 0 EDADLP COCC1(CNC(=O)CCn2c(C)[nH+]c3ccccc32)CC[NH2+]CC1 ZINC000566677560 306424674 /nfs/dbraw/zinc/42/46/74/306424674.db2.gz HGTCDJCZGJKYGR-UHFFFAOYSA-N 2 2 344.459 1.867 20 0 EDADLP C[NH2+][C@@H](C)C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414994685 304149212 /nfs/dbraw/zinc/14/92/12/304149212.db2.gz VUFXNUKCLLRDJN-AWEZNQCLSA-N 2 2 341.883 1.749 20 0 EDADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000415092877 304159086 /nfs/dbraw/zinc/15/90/86/304159086.db2.gz HCHHNERGIBYZCS-QWHCGFSZSA-N 2 2 325.840 1.944 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000236901930 139034604 /nfs/dbraw/zinc/03/46/04/139034604.db2.gz DZLQZVPOUSLMII-SJLPKXTDSA-N 2 2 333.476 1.863 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000111445633 220156557 /nfs/dbraw/zinc/15/65/57/220156557.db2.gz WYDYFFXVASNXHC-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000111445633 220156561 /nfs/dbraw/zinc/15/65/61/220156561.db2.gz WYDYFFXVASNXHC-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP [NH3+]C1CC[NH+](CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000237864032 139062233 /nfs/dbraw/zinc/06/22/33/139062233.db2.gz NJGQWAGRBKELSK-UHFFFAOYSA-N 2 2 336.867 1.412 20 0 EDADLP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000237926881 139064064 /nfs/dbraw/zinc/06/40/64/139064064.db2.gz JRPTUCZMZIEYDP-KRWDZBQOSA-N 2 2 331.460 1.665 20 0 EDADLP [NH3+]Cc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000237987794 139065821 /nfs/dbraw/zinc/06/58/21/139065821.db2.gz IVZIGGWSLASUTR-LJQANCHMSA-N 2 2 339.439 1.949 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000238020863 139066703 /nfs/dbraw/zinc/06/67/03/139066703.db2.gz ASVAGTRNNPVMPS-OALUTQOASA-N 2 2 339.439 1.876 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000245543536 139078651 /nfs/dbraw/zinc/07/86/51/139078651.db2.gz LTBVIQLCAWPJQH-SJORKVTESA-N 2 2 343.475 1.930 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246022637 139092572 /nfs/dbraw/zinc/09/25/72/139092572.db2.gz VDVPIXRMCZDANB-JKSUJKDBSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000246022637 139092573 /nfs/dbraw/zinc/09/25/73/139092573.db2.gz VDVPIXRMCZDANB-JKSUJKDBSA-N 2 2 331.464 1.773 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246558800 139112946 /nfs/dbraw/zinc/11/29/46/139112946.db2.gz YYAMBTNYSSTKJV-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246558800 139112947 /nfs/dbraw/zinc/11/29/47/139112947.db2.gz YYAMBTNYSSTKJV-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246558800 139112948 /nfs/dbraw/zinc/11/29/48/139112948.db2.gz YYAMBTNYSSTKJV-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP Cc1csc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc(=O)n12 ZINC000246743603 139119875 /nfs/dbraw/zinc/11/98/75/139119875.db2.gz GVUCWYHDRVWHHB-DZGCQCFKSA-N 2 2 332.473 1.981 20 0 EDADLP Cc1csc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc(=O)n12 ZINC000246743603 139119876 /nfs/dbraw/zinc/11/98/76/139119876.db2.gz GVUCWYHDRVWHHB-DZGCQCFKSA-N 2 2 332.473 1.981 20 0 EDADLP Cc1csc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc(=O)n12 ZINC000246743603 139119877 /nfs/dbraw/zinc/11/98/77/139119877.db2.gz GVUCWYHDRVWHHB-DZGCQCFKSA-N 2 2 332.473 1.981 20 0 EDADLP Cc1csc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc(=O)n12 ZINC000246743603 139119878 /nfs/dbraw/zinc/11/98/78/139119878.db2.gz GVUCWYHDRVWHHB-DZGCQCFKSA-N 2 2 332.473 1.981 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000247058403 139133547 /nfs/dbraw/zinc/13/35/47/139133547.db2.gz FTVXQGOXZXFIHR-CABCVRRESA-N 2 2 349.479 1.953 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000247058403 139133548 /nfs/dbraw/zinc/13/35/48/139133548.db2.gz FTVXQGOXZXFIHR-CABCVRRESA-N 2 2 349.479 1.953 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415320782 304193945 /nfs/dbraw/zinc/19/39/45/304193945.db2.gz WOOMWFFYSZXTHZ-AWEZNQCLSA-N 2 2 335.452 1.722 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247076049 139134378 /nfs/dbraw/zinc/13/43/78/139134378.db2.gz WVSXHUJQBYIJSB-WMLDXEAASA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247076049 139134379 /nfs/dbraw/zinc/13/43/79/139134379.db2.gz WVSXHUJQBYIJSB-WMLDXEAASA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247076049 139134380 /nfs/dbraw/zinc/13/43/80/139134380.db2.gz WVSXHUJQBYIJSB-WMLDXEAASA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247076049 139134381 /nfs/dbraw/zinc/13/43/81/139134381.db2.gz WVSXHUJQBYIJSB-WMLDXEAASA-N 2 2 346.475 1.789 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000568150334 306473311 /nfs/dbraw/zinc/47/33/11/306473311.db2.gz DABWFVRUVVUNLA-UHFFFAOYSA-N 2 2 330.432 1.412 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248790135 139175479 /nfs/dbraw/zinc/17/54/79/139175479.db2.gz XHLXIEUQOUTHKH-QZTJIDSGSA-N 2 2 346.475 1.138 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000248790135 139175480 /nfs/dbraw/zinc/17/54/80/139175480.db2.gz XHLXIEUQOUTHKH-QZTJIDSGSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000248790135 139175481 /nfs/dbraw/zinc/17/54/81/139175481.db2.gz XHLXIEUQOUTHKH-QZTJIDSGSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248790135 139175482 /nfs/dbraw/zinc/17/54/82/139175482.db2.gz XHLXIEUQOUTHKH-QZTJIDSGSA-N 2 2 346.475 1.138 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000355469682 250115547 /nfs/dbraw/zinc/11/55/47/250115547.db2.gz AANUAWZMDRZGGP-UHFFFAOYSA-N 2 2 338.496 1.369 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CC[NH+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000249061144 139184305 /nfs/dbraw/zinc/18/43/05/139184305.db2.gz PQDTWLJBOHQFHH-BDXSIMOUSA-N 2 2 325.497 1.281 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2CC[NH+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000249061144 139184306 /nfs/dbraw/zinc/18/43/06/139184306.db2.gz PQDTWLJBOHQFHH-BDXSIMOUSA-N 2 2 325.497 1.281 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000249061144 139184307 /nfs/dbraw/zinc/18/43/07/139184307.db2.gz PQDTWLJBOHQFHH-BDXSIMOUSA-N 2 2 325.497 1.281 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000249061144 139184308 /nfs/dbraw/zinc/18/43/08/139184308.db2.gz PQDTWLJBOHQFHH-BDXSIMOUSA-N 2 2 325.497 1.281 20 0 EDADLP Cc1csc(=O)n1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201222 220259449 /nfs/dbraw/zinc/25/94/49/220259449.db2.gz KOMXLDLPZIJBBF-HNNXBMFYSA-N 2 2 325.478 1.262 20 0 EDADLP Cc1csc(=O)n1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201222 220259451 /nfs/dbraw/zinc/25/94/51/220259451.db2.gz KOMXLDLPZIJBBF-HNNXBMFYSA-N 2 2 325.478 1.262 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000261619502 139211650 /nfs/dbraw/zinc/21/16/50/139211650.db2.gz FYZJDGDEIFTPSB-OCCSQVGLSA-N 2 2 333.436 1.027 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000261619502 139211651 /nfs/dbraw/zinc/21/16/51/139211651.db2.gz FYZJDGDEIFTPSB-OCCSQVGLSA-N 2 2 333.436 1.027 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000261612940 139211040 /nfs/dbraw/zinc/21/10/40/139211040.db2.gz DXHCMHPUIXJDTC-SJLPKXTDSA-N 2 2 330.476 1.752 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)ccc1OC(F)F ZINC000261682072 139217150 /nfs/dbraw/zinc/21/71/50/139217150.db2.gz IIIFZJQYADHMCM-UHFFFAOYSA-N 2 2 347.793 1.805 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)ccc1OC(F)F ZINC000261682072 139217151 /nfs/dbraw/zinc/21/71/51/139217151.db2.gz IIIFZJQYADHMCM-UHFFFAOYSA-N 2 2 347.793 1.805 20 0 EDADLP C[C@]1(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)CC[NH2+]C1 ZINC000261725763 139220827 /nfs/dbraw/zinc/22/08/27/139220827.db2.gz GPKBNWNPTIXHSI-IBGZPJMESA-N 2 2 348.466 1.173 20 0 EDADLP C[C@]1(CN2CC[NH+](CCNC(=O)c3ccccc3F)CC2)CC[NH2+]C1 ZINC000261725763 139220828 /nfs/dbraw/zinc/22/08/28/139220828.db2.gz GPKBNWNPTIXHSI-IBGZPJMESA-N 2 2 348.466 1.173 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(Cl)cc1 ZINC000261770221 139224435 /nfs/dbraw/zinc/22/44/35/139224435.db2.gz MHFVTKWPXBGXFO-QLFBSQMISA-N 2 2 348.834 1.785 20 0 EDADLP COCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC000261828625 139229554 /nfs/dbraw/zinc/22/95/54/139229554.db2.gz YTPDMJKKUUNOCS-UHFFFAOYSA-N 2 2 328.416 1.618 20 0 EDADLP [NH3+]C1(c2noc(CN3CC[NH+](Cc4ccccc4)CC3)n2)CCC1 ZINC000261831149 139229830 /nfs/dbraw/zinc/22/98/30/139229830.db2.gz RGQWYLVBDBXDJO-UHFFFAOYSA-N 2 2 327.432 1.725 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000261845713 139230907 /nfs/dbraw/zinc/23/09/07/139230907.db2.gz LXNULDMENIFJOT-IHXNAJNRSA-N 2 2 325.416 1.903 20 0 EDADLP Nc1ncc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000261879063 139233536 /nfs/dbraw/zinc/23/35/36/139233536.db2.gz SQSYEKSBEYZSLS-UHFFFAOYSA-N 2 2 348.472 1.726 20 0 EDADLP C[C@]1(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261950893 139239436 /nfs/dbraw/zinc/23/94/36/139239436.db2.gz FYHBPTNBDRLZOH-SFHVURJKSA-N 2 2 335.423 1.348 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000262268546 139265186 /nfs/dbraw/zinc/26/51/86/139265186.db2.gz SEDSVONWBLHTST-APWZRJJASA-N 2 2 346.475 1.258 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000416991491 251121672 /nfs/dbraw/zinc/12/16/72/251121672.db2.gz QHIQREBPQBPHAF-GOEBONIOSA-N 2 2 349.479 1.623 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000416988275 251119465 /nfs/dbraw/zinc/11/94/65/251119465.db2.gz CHKKVEVVFPWSSY-DLBZAZTESA-N 2 2 332.448 1.111 20 0 EDADLP C[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000417010048 251130578 /nfs/dbraw/zinc/13/05/78/251130578.db2.gz OJRDMBWDFBTFBT-NVXWUHKLSA-N 2 2 334.464 1.487 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262311878 139269042 /nfs/dbraw/zinc/26/90/42/139269042.db2.gz PCONXYRJDANAQU-SFYZZRBRSA-N 2 2 345.491 1.218 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H](C)[NH3+] ZINC000417590195 251199671 /nfs/dbraw/zinc/19/96/71/251199671.db2.gz VVWDXGAVEQDDRF-XQQFMLRXSA-N 2 2 340.418 1.964 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H](C)[NH3+] ZINC000417590195 251199676 /nfs/dbraw/zinc/19/96/76/251199676.db2.gz VVWDXGAVEQDDRF-XQQFMLRXSA-N 2 2 340.418 1.964 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000417833126 251290897 /nfs/dbraw/zinc/29/08/97/251290897.db2.gz UFABYMXRJNQJGX-CYBMUJFWSA-N 2 2 344.450 1.937 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCCCC[NH3+])[NH+]2CCOCC2)s1 ZINC000417837461 251292155 /nfs/dbraw/zinc/29/21/55/251292155.db2.gz VHRWFICEPDNQMN-AWEZNQCLSA-N 2 2 340.493 1.468 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)CCCC[NH3+])nc[nH+]1 ZINC000417777108 251266151 /nfs/dbraw/zinc/26/61/51/251266151.db2.gz QVMMAZNVNLCBAV-KGLIPLIRSA-N 2 2 349.483 1.304 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)N[C@H](C)CCCC[NH3+])[nH+]cn1 ZINC000417777108 251266155 /nfs/dbraw/zinc/26/61/55/251266155.db2.gz QVMMAZNVNLCBAV-KGLIPLIRSA-N 2 2 349.483 1.304 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000262791453 139303813 /nfs/dbraw/zinc/30/38/13/139303813.db2.gz DDOSWKJFUDDHNK-KBPBESRZSA-N 2 2 339.867 1.909 20 0 EDADLP FC(F)(F)CN1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423059352 252030537 /nfs/dbraw/zinc/03/05/37/252030537.db2.gz FKGPJIISUZABSV-GJZGRUSLSA-N 2 2 335.414 1.617 20 0 EDADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cnn1-c1ccc(F)cc1 ZINC000423524267 252059428 /nfs/dbraw/zinc/05/94/28/252059428.db2.gz SXCNOJSTTZFWGJ-DYVFJYSZSA-N 2 2 331.439 1.874 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)cc[nH+]1 ZINC000423774198 252069753 /nfs/dbraw/zinc/06/97/53/252069753.db2.gz BDJBATNFVWWQRY-MAUKXSAKSA-N 2 2 329.448 1.213 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423864864 252095959 /nfs/dbraw/zinc/09/59/59/252095959.db2.gz JQEKQZMNLTVCGB-QGZVFWFLSA-N 2 2 337.508 1.855 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423864864 252095964 /nfs/dbraw/zinc/09/59/64/252095964.db2.gz JQEKQZMNLTVCGB-QGZVFWFLSA-N 2 2 337.508 1.855 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000423932177 252104644 /nfs/dbraw/zinc/10/46/44/252104644.db2.gz RUHLRFXITHLXST-ZRGWGRIASA-N 2 2 344.459 1.517 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423803029 252081350 /nfs/dbraw/zinc/08/13/50/252081350.db2.gz QDMPFFLEMXCYTG-HNNXBMFYSA-N 2 2 332.448 1.945 20 0 EDADLP [NH3+][C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c(F)cccc1F ZINC000423809237 252084090 /nfs/dbraw/zinc/08/40/90/252084090.db2.gz YENOTWRUFFHVQB-BDJLRTHQSA-N 2 2 332.354 1.755 20 0 EDADLP Cn1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424128506 252134518 /nfs/dbraw/zinc/13/45/18/252134518.db2.gz FNMRPWQSNDOBSF-ZIAGYGMSSA-N 2 2 342.447 1.630 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)NCC3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424283529 252189870 /nfs/dbraw/zinc/18/98/70/252189870.db2.gz AZIVKEZLOAOFEW-DLBZAZTESA-N 2 2 333.480 1.233 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)NCC3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424283529 252189875 /nfs/dbraw/zinc/18/98/75/252189875.db2.gz AZIVKEZLOAOFEW-DLBZAZTESA-N 2 2 333.480 1.233 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC[C@H]1COc2ccccc2O1 ZINC000424299491 252192358 /nfs/dbraw/zinc/19/23/58/252192358.db2.gz FAZHZGOUCBVKDG-BYNSBNAKSA-N 2 2 333.432 1.191 20 0 EDADLP O=C(CCCc1ccccc1)NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000424373507 252202765 /nfs/dbraw/zinc/20/27/65/252202765.db2.gz ICSVRQAOCGDJGX-ICSRJNTNSA-N 2 2 345.487 1.482 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000424467701 252240016 /nfs/dbraw/zinc/24/00/16/252240016.db2.gz MZHJUBIJJSKBFY-VXGBXAGGSA-N 2 2 327.379 1.544 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1O ZINC000426136995 252315947 /nfs/dbraw/zinc/31/59/47/252315947.db2.gz MZTBKVBIKFJQIY-FUHWJXTLSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1O ZINC000426136995 252315950 /nfs/dbraw/zinc/31/59/50/252315950.db2.gz MZTBKVBIKFJQIY-FUHWJXTLSA-N 2 2 331.460 1.034 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415622871 304241012 /nfs/dbraw/zinc/24/10/12/304241012.db2.gz DWWMAKBWDZWJBI-CYBMUJFWSA-N 2 2 327.388 1.069 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263232568 139329916 /nfs/dbraw/zinc/32/99/16/139329916.db2.gz NPUFIFOWYNFWOE-LBPRGKRZSA-N 2 2 326.347 1.122 20 0 EDADLP C[NH+]1CCN(CCNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112627570 220359980 /nfs/dbraw/zinc/35/99/80/220359980.db2.gz BEVFECOTFMMNQS-UHFFFAOYSA-N 2 2 340.427 1.851 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000263822214 139362851 /nfs/dbraw/zinc/36/28/51/139362851.db2.gz QYNMFMKUSBARFM-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000263822214 139362852 /nfs/dbraw/zinc/36/28/52/139362852.db2.gz QYNMFMKUSBARFM-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP C[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)NC(=O)OC(C)(C)C ZINC000492259639 255165936 /nfs/dbraw/zinc/16/59/36/255165936.db2.gz QAZUITANVHAIGQ-CQSZACIVSA-N 2 2 329.485 1.678 20 0 EDADLP C[C@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)NC(=O)OC(C)(C)C ZINC000492259639 255165937 /nfs/dbraw/zinc/16/59/37/255165937.db2.gz QAZUITANVHAIGQ-CQSZACIVSA-N 2 2 329.485 1.678 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000492904908 255187073 /nfs/dbraw/zinc/18/70/73/255187073.db2.gz YBIYIPCDKJYHNU-VOTSOKGWSA-N 2 2 325.416 1.361 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)CCO1 ZINC000494412066 255249761 /nfs/dbraw/zinc/24/97/61/255249761.db2.gz KGFYFRRZOQNKRD-GVDBMIGSSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)CCO1 ZINC000494412066 255249762 /nfs/dbraw/zinc/24/97/62/255249762.db2.gz KGFYFRRZOQNKRD-GVDBMIGSSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000494412066 255249763 /nfs/dbraw/zinc/24/97/63/255249763.db2.gz KGFYFRRZOQNKRD-GVDBMIGSSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000494412066 255249764 /nfs/dbraw/zinc/24/97/64/255249764.db2.gz KGFYFRRZOQNKRD-GVDBMIGSSA-N 2 2 340.512 1.517 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498849 255399866 /nfs/dbraw/zinc/39/98/66/255399866.db2.gz JGTUHPHYWDCWPY-YJBOKZPZSA-N 2 2 341.496 1.774 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498849 255399867 /nfs/dbraw/zinc/39/98/67/255399867.db2.gz JGTUHPHYWDCWPY-YJBOKZPZSA-N 2 2 341.496 1.774 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498849 255399868 /nfs/dbraw/zinc/39/98/68/255399868.db2.gz JGTUHPHYWDCWPY-YJBOKZPZSA-N 2 2 341.496 1.774 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498849 255399869 /nfs/dbraw/zinc/39/98/69/255399869.db2.gz JGTUHPHYWDCWPY-YJBOKZPZSA-N 2 2 341.496 1.774 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c(C)[nH+]1 ZINC000154903071 224324870 /nfs/dbraw/zinc/32/48/70/224324870.db2.gz XODQUSLEGQRTHP-INIZCTEOSA-N 2 2 332.448 1.874 20 0 EDADLP CCCOC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119614674 221359557 /nfs/dbraw/zinc/35/95/57/221359557.db2.gz JBNOZPQMVIMYIO-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP CCCOC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119614534 221360483 /nfs/dbraw/zinc/36/04/83/221360483.db2.gz JBNOZPQMVIMYIO-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)NCCCn1cc[nH+]c1 ZINC000264258688 139391120 /nfs/dbraw/zinc/39/11/20/139391120.db2.gz LMQJDJWZFNXMHY-UHFFFAOYSA-N 2 2 325.457 1.273 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000415906756 304284690 /nfs/dbraw/zinc/28/46/90/304284690.db2.gz LRGVSUYPXKQJKW-OAHLLOKOSA-N 2 2 333.480 1.554 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000571290100 306561577 /nfs/dbraw/zinc/56/15/77/306561577.db2.gz KWIDAWUVLLJKKI-CQSZACIVSA-N 2 2 337.464 1.005 20 0 EDADLP C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H](C)[NH+]1CCOCC1 ZINC000416148413 304292668 /nfs/dbraw/zinc/29/26/68/304292668.db2.gz DALXTNRATSXBSQ-IAGOWNOFSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H](C)[NH+]1CCOCC1 ZINC000416148413 304292669 /nfs/dbraw/zinc/29/26/69/304292669.db2.gz DALXTNRATSXBSQ-IAGOWNOFSA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269828994 140002009 /nfs/dbraw/zinc/00/20/09/140002009.db2.gz PGRUGNABHKLBIO-IEBWSBKVSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269828994 140002010 /nfs/dbraw/zinc/00/20/10/140002010.db2.gz PGRUGNABHKLBIO-IEBWSBKVSA-N 2 2 345.487 1.566 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000269961818 140025314 /nfs/dbraw/zinc/02/53/14/140025314.db2.gz PYIXDGVVHBQZGJ-DLBZAZTESA-N 2 2 343.475 1.930 20 0 EDADLP O[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000270539896 140119555 /nfs/dbraw/zinc/11/95/55/140119555.db2.gz XCARJKKUWOUBCI-WCIQWLHISA-N 2 2 342.483 1.953 20 0 EDADLP O[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C[N@H+]1CCc2ccccc2C1 ZINC000270539896 140119557 /nfs/dbraw/zinc/11/95/57/140119557.db2.gz XCARJKKUWOUBCI-WCIQWLHISA-N 2 2 342.483 1.953 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000270607187 140133487 /nfs/dbraw/zinc/13/34/87/140133487.db2.gz BUDHOBHSBWHEII-HOCLYGCPSA-N 2 2 349.385 1.943 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000270607187 140133488 /nfs/dbraw/zinc/13/34/88/140133488.db2.gz BUDHOBHSBWHEII-HOCLYGCPSA-N 2 2 349.385 1.943 20 0 EDADLP c1c[nH+]c(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000271434320 140295540 /nfs/dbraw/zinc/29/55/40/140295540.db2.gz QNFOOZGGSILQFG-SFHVURJKSA-N 2 2 325.460 1.802 20 0 EDADLP c1c[nH+]c(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000271434320 140295541 /nfs/dbraw/zinc/29/55/41/140295541.db2.gz QNFOOZGGSILQFG-SFHVURJKSA-N 2 2 325.460 1.802 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)nc[nH+]2)C1 ZINC000271565201 140312113 /nfs/dbraw/zinc/31/21/13/140312113.db2.gz APJVJITXYPRKGJ-CABCVRRESA-N 2 2 342.447 1.792 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)[nH+]cn2)C1 ZINC000271565201 140312114 /nfs/dbraw/zinc/31/21/14/140312114.db2.gz APJVJITXYPRKGJ-CABCVRRESA-N 2 2 342.447 1.792 20 0 EDADLP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271698865 140335999 /nfs/dbraw/zinc/33/59/99/140335999.db2.gz CGVHHDYGPCTIGK-GJZGRUSLSA-N 2 2 330.432 1.697 20 0 EDADLP COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271698865 140336001 /nfs/dbraw/zinc/33/60/01/140336001.db2.gz CGVHHDYGPCTIGK-GJZGRUSLSA-N 2 2 330.432 1.697 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416302086 304306183 /nfs/dbraw/zinc/30/61/83/304306183.db2.gz FVCLRXJXJGYGKD-WCXIOVBPSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416302086 304306184 /nfs/dbraw/zinc/30/61/84/304306184.db2.gz FVCLRXJXJGYGKD-WCXIOVBPSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC[C@H]2COc3ccccc3O2)CC[N@@H+]1C ZINC000331553544 141047433 /nfs/dbraw/zinc/04/74/33/141047433.db2.gz JREXBOJWZYYNMP-OAGGEKHMSA-N 2 2 347.459 1.357 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC[C@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000331553544 141047434 /nfs/dbraw/zinc/04/74/34/141047434.db2.gz JREXBOJWZYYNMP-OAGGEKHMSA-N 2 2 347.459 1.357 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC[C@H]2COc3ccccc3O2)CC[NH+]1C ZINC000331553544 141047436 /nfs/dbraw/zinc/04/74/36/141047436.db2.gz JREXBOJWZYYNMP-OAGGEKHMSA-N 2 2 347.459 1.357 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC[C@H]2COc3ccccc3O2)CC[NH+]1C ZINC000331553544 141047437 /nfs/dbraw/zinc/04/74/37/141047437.db2.gz JREXBOJWZYYNMP-OAGGEKHMSA-N 2 2 347.459 1.357 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)c[nH+]2)C[C@@H](C)O1 ZINC000331839400 141087187 /nfs/dbraw/zinc/08/71/87/141087187.db2.gz CWMUEYYCEXSTDR-FMKPAKJESA-N 2 2 332.448 1.406 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)c[nH+]2)C[C@@H](C)O1 ZINC000331839400 141087189 /nfs/dbraw/zinc/08/71/89/141087189.db2.gz CWMUEYYCEXSTDR-FMKPAKJESA-N 2 2 332.448 1.406 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331869181 141091484 /nfs/dbraw/zinc/09/14/84/141091484.db2.gz GSZOYEDFIVTJGD-OWCLPIDISA-N 2 2 333.480 1.626 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)[nH+]1 ZINC000332119172 141126320 /nfs/dbraw/zinc/12/63/20/141126320.db2.gz HYOPIHQQKKABRT-LSDHHAIUSA-N 2 2 330.432 1.485 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000332463815 141186292 /nfs/dbraw/zinc/18/62/92/141186292.db2.gz JXTNWQWTNSKGGG-INIZCTEOSA-N 2 2 332.448 1.943 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)s1 ZINC000333663767 141352300 /nfs/dbraw/zinc/35/23/00/141352300.db2.gz MAAMOWLGMMDNEK-IUODEOHRSA-N 2 2 337.493 1.277 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)s1 ZINC000333708306 141362896 /nfs/dbraw/zinc/36/28/96/141362896.db2.gz RWGLFQGLOSTRMM-ZIAGYGMSSA-N 2 2 337.493 1.406 20 0 EDADLP COC[C@H]1CC[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000339281651 142003391 /nfs/dbraw/zinc/00/33/91/142003391.db2.gz HXODBWKZACOSPT-SJLPKXTDSA-N 2 2 331.460 1.613 20 0 EDADLP COC[C@H]1CC[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000339281651 142003393 /nfs/dbraw/zinc/00/33/93/142003393.db2.gz HXODBWKZACOSPT-SJLPKXTDSA-N 2 2 331.460 1.613 20 0 EDADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339817330 142166942 /nfs/dbraw/zinc/16/69/42/142166942.db2.gz ZFIHGBXLWNMAQU-INIZCTEOSA-N 2 2 333.476 1.864 20 0 EDADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339817330 142166944 /nfs/dbraw/zinc/16/69/44/142166944.db2.gz ZFIHGBXLWNMAQU-INIZCTEOSA-N 2 2 333.476 1.864 20 0 EDADLP CC[C@H](C)[C@](C)(O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340248125 142318464 /nfs/dbraw/zinc/31/84/64/142318464.db2.gz BWEQVFJOXGSWPF-WMLDXEAASA-N 2 2 328.501 1.109 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340252308 142320362 /nfs/dbraw/zinc/32/03/62/142320362.db2.gz LOBRXDSNMFLOIY-INIZCTEOSA-N 3 2 339.528 1.186 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340252308 142320364 /nfs/dbraw/zinc/32/03/64/142320364.db2.gz LOBRXDSNMFLOIY-INIZCTEOSA-N 3 2 339.528 1.186 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000340429461 142389384 /nfs/dbraw/zinc/38/93/84/142389384.db2.gz XRVPIIVGOGHNJM-UHFFFAOYSA-N 2 2 347.507 1.672 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@@H+](C2CCC2)C1 ZINC000344767902 143009613 /nfs/dbraw/zinc/00/96/13/143009613.db2.gz GEAXFTCGKDONRB-APWZRJJASA-N 2 2 349.519 1.963 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+](C2CCC2)C1 ZINC000344767902 143009614 /nfs/dbraw/zinc/00/96/14/143009614.db2.gz GEAXFTCGKDONRB-APWZRJJASA-N 2 2 349.519 1.963 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344767902 143009615 /nfs/dbraw/zinc/00/96/15/143009615.db2.gz GEAXFTCGKDONRB-APWZRJJASA-N 2 2 349.519 1.963 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344767902 143009616 /nfs/dbraw/zinc/00/96/16/143009616.db2.gz GEAXFTCGKDONRB-APWZRJJASA-N 2 2 349.519 1.963 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1C ZINC000344990216 143036130 /nfs/dbraw/zinc/03/61/30/143036130.db2.gz KLGAGXGNPRNERL-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)n1C ZINC000344990216 143036131 /nfs/dbraw/zinc/03/61/31/143036131.db2.gz KLGAGXGNPRNERL-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000345035076 143041949 /nfs/dbraw/zinc/04/19/49/143041949.db2.gz OOXNJWTXNNWLII-XJKSGUPXSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345035076 143041950 /nfs/dbraw/zinc/04/19/50/143041950.db2.gz OOXNJWTXNNWLII-XJKSGUPXSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000345035076 143041951 /nfs/dbraw/zinc/04/19/51/143041951.db2.gz OOXNJWTXNNWLII-XJKSGUPXSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345035076 143041952 /nfs/dbraw/zinc/04/19/52/143041952.db2.gz OOXNJWTXNNWLII-XJKSGUPXSA-N 2 2 344.415 1.131 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000345209943 143064866 /nfs/dbraw/zinc/06/48/66/143064866.db2.gz PWCHJMRDGVIHPT-QZWWFDLISA-N 2 2 330.476 1.953 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000345209943 143064867 /nfs/dbraw/zinc/06/48/67/143064867.db2.gz PWCHJMRDGVIHPT-QZWWFDLISA-N 2 2 330.476 1.953 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345395557 143085935 /nfs/dbraw/zinc/08/59/35/143085935.db2.gz SKKHVDKMXOHRDX-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345395557 143085936 /nfs/dbraw/zinc/08/59/36/143085936.db2.gz SKKHVDKMXOHRDX-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000345590834 143109337 /nfs/dbraw/zinc/10/93/37/143109337.db2.gz RJLNCOINKQDZTB-QRQLOZEOSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000345590834 143109338 /nfs/dbraw/zinc/10/93/38/143109338.db2.gz RJLNCOINKQDZTB-QRQLOZEOSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000345622792 143113337 /nfs/dbraw/zinc/11/33/37/143113337.db2.gz ATJOSHFPLCHLAT-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000345622792 143113338 /nfs/dbraw/zinc/11/33/38/143113338.db2.gz ATJOSHFPLCHLAT-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H]1C[C@H](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000345642423 143115642 /nfs/dbraw/zinc/11/56/42/143115642.db2.gz QJACSPNPSZWOGG-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000345710494 143124235 /nfs/dbraw/zinc/12/42/35/143124235.db2.gz HBKIULNPLLPTIO-CAOSSQGBSA-N 2 2 326.485 1.220 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000345710494 143124236 /nfs/dbraw/zinc/12/42/36/143124236.db2.gz HBKIULNPLLPTIO-CAOSSQGBSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000345761771 143130405 /nfs/dbraw/zinc/13/04/05/143130405.db2.gz OAMNYIBXIAQYIM-SRABZTEZSA-N 2 2 328.460 1.753 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000345761771 143130406 /nfs/dbraw/zinc/13/04/06/143130406.db2.gz OAMNYIBXIAQYIM-SRABZTEZSA-N 2 2 328.460 1.753 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000345877585 143142328 /nfs/dbraw/zinc/14/23/28/143142328.db2.gz HXROMGASMPEDPH-MRXNPFEDSA-N 2 2 340.512 1.071 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000345877585 143142329 /nfs/dbraw/zinc/14/23/29/143142329.db2.gz HXROMGASMPEDPH-MRXNPFEDSA-N 2 2 340.512 1.071 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000345877585 143142330 /nfs/dbraw/zinc/14/23/30/143142330.db2.gz HXROMGASMPEDPH-MRXNPFEDSA-N 2 2 340.512 1.071 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000345877585 143142331 /nfs/dbraw/zinc/14/23/31/143142331.db2.gz HXROMGASMPEDPH-MRXNPFEDSA-N 2 2 340.512 1.071 20 0 EDADLP CC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)COC1 ZINC000345931929 143148598 /nfs/dbraw/zinc/14/85/98/143148598.db2.gz KSEKVQDSGASWAQ-SFHVURJKSA-N 2 2 344.503 1.952 20 0 EDADLP CC1(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)COC1 ZINC000345931929 143148599 /nfs/dbraw/zinc/14/85/99/143148599.db2.gz KSEKVQDSGASWAQ-SFHVURJKSA-N 2 2 344.503 1.952 20 0 EDADLP O=C(NCCCO)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346208953 143179147 /nfs/dbraw/zinc/17/91/47/143179147.db2.gz NZIYJQRJDSBHRM-UHFFFAOYSA-N 2 2 348.472 1.644 20 0 EDADLP COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346307127 143189865 /nfs/dbraw/zinc/18/98/65/143189865.db2.gz DBLZZKWBCSVKKZ-DLBZAZTESA-N 2 2 344.415 1.728 20 0 EDADLP COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346307127 143189866 /nfs/dbraw/zinc/18/98/66/143189866.db2.gz DBLZZKWBCSVKKZ-DLBZAZTESA-N 2 2 344.415 1.728 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000346356253 143195962 /nfs/dbraw/zinc/19/59/62/143195962.db2.gz XQBGXJGYXWRQDQ-UHFFFAOYSA-N 2 2 336.480 1.835 20 0 EDADLP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000346469500 143208256 /nfs/dbraw/zinc/20/82/56/143208256.db2.gz YUDAAHBOMABNQS-ZACQAIPSSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@H](CO)[N@H+]1CCCN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000346469500 143208257 /nfs/dbraw/zinc/20/82/57/143208257.db2.gz YUDAAHBOMABNQS-ZACQAIPSSA-N 2 2 346.475 1.069 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC[N@@H+]1C ZINC000346685279 143231591 /nfs/dbraw/zinc/23/15/91/143231591.db2.gz XWLDNGQJQKXMCV-IKGGRYGDSA-N 2 2 330.476 1.953 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC[N@H+]1C ZINC000346685279 143231592 /nfs/dbraw/zinc/23/15/92/143231592.db2.gz XWLDNGQJQKXMCV-IKGGRYGDSA-N 2 2 330.476 1.953 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000346896006 143257520 /nfs/dbraw/zinc/25/75/20/143257520.db2.gz CNJQNFPIRLSTFX-ZFWWWQNUSA-N 2 2 337.468 1.527 20 0 EDADLP CCS(=O)(=O)C[C@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000346942201 143264347 /nfs/dbraw/zinc/26/43/47/143264347.db2.gz JXSOOSRIHTYCKX-DZGCQCFKSA-N 2 2 340.493 1.457 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000347034267 143274367 /nfs/dbraw/zinc/27/43/67/143274367.db2.gz CMQAEXSJBLSWTQ-NZSAHSFTSA-N 3 2 332.492 1.338 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000347034267 143274368 /nfs/dbraw/zinc/27/43/68/143274368.db2.gz CMQAEXSJBLSWTQ-NZSAHSFTSA-N 3 2 332.492 1.338 20 0 EDADLP CCOc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OCC ZINC000347120155 143284926 /nfs/dbraw/zinc/28/49/26/143284926.db2.gz VONWKVNOXLIUPP-UHFFFAOYSA-N 2 2 335.448 1.348 20 0 EDADLP CCOc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OCC ZINC000347120155 143284927 /nfs/dbraw/zinc/28/49/27/143284927.db2.gz VONWKVNOXLIUPP-UHFFFAOYSA-N 2 2 335.448 1.348 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000347609531 143340522 /nfs/dbraw/zinc/34/05/22/143340522.db2.gz WHNHGQSOWHUESJ-WSTZPKSXSA-N 2 2 347.503 1.274 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000347609531 143340523 /nfs/dbraw/zinc/34/05/23/143340523.db2.gz WHNHGQSOWHUESJ-WSTZPKSXSA-N 2 2 347.503 1.274 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)c1ccco1 ZINC000347838192 143369045 /nfs/dbraw/zinc/36/90/45/143369045.db2.gz USABCASKBIIPTA-KGLIPLIRSA-N 2 2 331.420 1.641 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000347919077 143379052 /nfs/dbraw/zinc/37/90/52/143379052.db2.gz IFKYXWGDETZAFW-HOTGVXAUSA-N 2 2 331.464 1.988 20 0 EDADLP Cc1c(C[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cnn1C ZINC000348092299 143399752 /nfs/dbraw/zinc/39/97/52/143399752.db2.gz WYUAROSEIDEERF-JKSUJKDBSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1c(C[N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cnn1C ZINC000348092299 143399753 /nfs/dbraw/zinc/39/97/53/143399753.db2.gz WYUAROSEIDEERF-JKSUJKDBSA-N 2 2 334.443 1.506 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000369751894 155161977 /nfs/dbraw/zinc/16/19/77/155161977.db2.gz AZHLUQQAYSBTNJ-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+]([C@H](CC)C(=O)OCC)CC2)CC1 ZINC000369824550 155191984 /nfs/dbraw/zinc/19/19/84/155191984.db2.gz NDEJMEIHHZKLSB-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000369886706 155218879 /nfs/dbraw/zinc/21/88/79/155218879.db2.gz HEBWKRMXLVOODP-HNNXBMFYSA-N 2 2 349.479 1.198 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000369886706 155218880 /nfs/dbraw/zinc/21/88/80/155218880.db2.gz HEBWKRMXLVOODP-HNNXBMFYSA-N 2 2 349.479 1.198 20 0 EDADLP C[C@H]1CSC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352792563 149167873 /nfs/dbraw/zinc/16/78/73/149167873.db2.gz MJLMUGPIDXIUQC-RDJZCZTQSA-N 2 2 333.501 1.672 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352823289 149181243 /nfs/dbraw/zinc/18/12/43/149181243.db2.gz CLDVYMXTFRHBHD-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352823289 149181244 /nfs/dbraw/zinc/18/12/44/149181244.db2.gz CLDVYMXTFRHBHD-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCO1 ZINC000353024315 149258123 /nfs/dbraw/zinc/25/81/23/149258123.db2.gz ZTLRJYJHKYKWHV-VGUREELVSA-N 2 2 337.508 1.863 20 0 EDADLP CC(C)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCO1 ZINC000353024315 149258125 /nfs/dbraw/zinc/25/81/25/149258125.db2.gz ZTLRJYJHKYKWHV-VGUREELVSA-N 2 2 337.508 1.863 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1C ZINC000353270026 149347106 /nfs/dbraw/zinc/34/71/06/149347106.db2.gz WDQPNRQALJKWLA-UHFFFAOYSA-N 2 2 331.460 1.744 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353285114 149352052 /nfs/dbraw/zinc/35/20/52/149352052.db2.gz AFHULTJSWHHYKF-UHFFFAOYSA-N 2 2 339.443 1.993 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353285114 149352054 /nfs/dbraw/zinc/35/20/54/149352054.db2.gz AFHULTJSWHHYKF-UHFFFAOYSA-N 2 2 339.443 1.993 20 0 EDADLP CC(C)n1nccc1C[NH2+]C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354860357 150000047 /nfs/dbraw/zinc/00/00/47/150000047.db2.gz FJTYXPLBSCYKQV-GOEBONIOSA-N 2 2 334.443 1.900 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000355073683 150104143 /nfs/dbraw/zinc/10/41/43/150104143.db2.gz RRHHJUJXZRQASY-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000355073683 150104145 /nfs/dbraw/zinc/10/41/45/150104145.db2.gz RRHHJUJXZRQASY-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355073683 150104148 /nfs/dbraw/zinc/10/41/48/150104148.db2.gz RRHHJUJXZRQASY-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355073683 150104151 /nfs/dbraw/zinc/10/41/51/150104151.db2.gz RRHHJUJXZRQASY-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2CCCOC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355118213 150124092 /nfs/dbraw/zinc/12/40/92/150124092.db2.gz ZSQLRJWMLFYMJZ-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2CCCOC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355118213 150124094 /nfs/dbraw/zinc/12/40/94/150124094.db2.gz ZSQLRJWMLFYMJZ-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CS[C@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)C[C@@H]1[NH+](C)C ZINC000355289338 150201591 /nfs/dbraw/zinc/20/15/91/150201591.db2.gz VMIDYGGOXMWVJC-STQMWFEESA-N 2 2 335.464 1.468 20 0 EDADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370022089 155284550 /nfs/dbraw/zinc/28/45/50/155284550.db2.gz RTMHRMULUDKXML-CQSZACIVSA-N 2 2 348.447 1.078 20 0 EDADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370022089 155284552 /nfs/dbraw/zinc/28/45/52/155284552.db2.gz RTMHRMULUDKXML-CQSZACIVSA-N 2 2 348.447 1.078 20 0 EDADLP CCCCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000357392440 151017189 /nfs/dbraw/zinc/01/71/89/151017189.db2.gz TYWMGFXHOLPGOE-JKSUJKDBSA-N 2 2 325.497 1.676 20 0 EDADLP CCCCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000357392440 151017190 /nfs/dbraw/zinc/01/71/90/151017190.db2.gz TYWMGFXHOLPGOE-JKSUJKDBSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H](C)O1 ZINC000357433237 151031203 /nfs/dbraw/zinc/03/12/03/151031203.db2.gz DAPNUAYEEPMCDJ-ZHALLVOQSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C[C@@H](C)O1 ZINC000357433237 151031204 /nfs/dbraw/zinc/03/12/04/151031204.db2.gz DAPNUAYEEPMCDJ-ZHALLVOQSA-N 2 2 345.487 1.876 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000357494468 151047556 /nfs/dbraw/zinc/04/75/56/151047556.db2.gz GZQRCUDIGIKEBB-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000357494468 151047558 /nfs/dbraw/zinc/04/75/58/151047558.db2.gz GZQRCUDIGIKEBB-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000357494468 151047560 /nfs/dbraw/zinc/04/75/60/151047560.db2.gz GZQRCUDIGIKEBB-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000357494468 151047563 /nfs/dbraw/zinc/04/75/63/151047563.db2.gz GZQRCUDIGIKEBB-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642180 151097063 /nfs/dbraw/zinc/09/70/63/151097063.db2.gz BQFYPGLBLYYLIS-KRWDZBQOSA-N 2 2 347.503 1.431 20 0 EDADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642180 151097066 /nfs/dbraw/zinc/09/70/66/151097066.db2.gz BQFYPGLBLYYLIS-KRWDZBQOSA-N 2 2 347.503 1.431 20 0 EDADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644398 151098827 /nfs/dbraw/zinc/09/88/27/151098827.db2.gz DMUZNOSQEZRDME-INIZCTEOSA-N 2 2 337.508 1.770 20 0 EDADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644398 151098829 /nfs/dbraw/zinc/09/88/29/151098829.db2.gz DMUZNOSQEZRDME-INIZCTEOSA-N 2 2 337.508 1.770 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000357724092 151126731 /nfs/dbraw/zinc/12/67/31/151126731.db2.gz YBVNRQDEFBSPBC-CVEARBPZSA-N 2 2 339.524 1.943 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000357724092 151126733 /nfs/dbraw/zinc/12/67/33/151126733.db2.gz YBVNRQDEFBSPBC-CVEARBPZSA-N 2 2 339.524 1.943 20 0 EDADLP O=C(C[N@H+]1CC[C@H](CCO)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000357835766 151166673 /nfs/dbraw/zinc/16/66/73/151166673.db2.gz ULSQCWGLDIWDRS-QGZVFWFLSA-N 2 2 347.459 1.162 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](CCO)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000357835766 151166676 /nfs/dbraw/zinc/16/66/76/151166676.db2.gz ULSQCWGLDIWDRS-QGZVFWFLSA-N 2 2 347.459 1.162 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251956 151318364 /nfs/dbraw/zinc/31/83/64/151318364.db2.gz MYBOMMKKEVDCNS-MHTWAQMVSA-N 3 2 343.515 1.943 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251956 151318367 /nfs/dbraw/zinc/31/83/67/151318367.db2.gz MYBOMMKKEVDCNS-MHTWAQMVSA-N 3 2 343.515 1.943 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251956 151318369 /nfs/dbraw/zinc/31/83/69/151318369.db2.gz MYBOMMKKEVDCNS-MHTWAQMVSA-N 3 2 343.515 1.943 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251956 151318371 /nfs/dbraw/zinc/31/83/71/151318371.db2.gz MYBOMMKKEVDCNS-MHTWAQMVSA-N 3 2 343.515 1.943 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000359825796 151835053 /nfs/dbraw/zinc/83/50/53/151835053.db2.gz FWSWRYVXFZYRNL-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000362649481 292254268 /nfs/dbraw/zinc/25/42/68/292254268.db2.gz PUWOHUUIWBNLKM-WDSOQIARSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000362649481 292254269 /nfs/dbraw/zinc/25/42/69/292254269.db2.gz PUWOHUUIWBNLKM-WDSOQIARSA-N 2 2 345.487 1.682 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000360789711 152206360 /nfs/dbraw/zinc/20/63/60/152206360.db2.gz WVQJNMVEZQRCKT-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000360789711 152206361 /nfs/dbraw/zinc/20/63/61/152206361.db2.gz WVQJNMVEZQRCKT-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2c(C)nn(C)c2C)CC1 ZINC000360954870 152262392 /nfs/dbraw/zinc/26/23/92/152262392.db2.gz OVKNAICDJGRGAJ-UHFFFAOYSA-N 2 2 336.480 1.587 20 0 EDADLP CCNC(=O)C(C)(C)C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000360981599 152270343 /nfs/dbraw/zinc/27/03/43/152270343.db2.gz AGWLRAAQMRMFPJ-UHFFFAOYSA-N 2 2 327.469 1.156 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073894 152295279 /nfs/dbraw/zinc/29/52/79/152295279.db2.gz RLBWSIPQHAJYIH-AWEZNQCLSA-N 2 2 336.436 1.053 20 0 EDADLP CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000361409474 152386146 /nfs/dbraw/zinc/38/61/46/152386146.db2.gz VXBKVBQWMXDSBH-KRWDZBQOSA-N 2 2 347.459 1.303 20 0 EDADLP CC1(C)[C@@H](O)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000361409474 152386147 /nfs/dbraw/zinc/38/61/47/152386147.db2.gz VXBKVBQWMXDSBH-KRWDZBQOSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H]1CN(Cc2noc(C(C)(C)C)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000363669791 153025530 /nfs/dbraw/zinc/02/55/30/153025530.db2.gz IJBYPQAFEVYYPH-AWEZNQCLSA-N 2 2 335.496 1.967 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000363681698 153027527 /nfs/dbraw/zinc/02/75/27/153027527.db2.gz DMWQTVVMNXYTMC-HZPDHXFCSA-N 2 2 333.436 1.093 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000363681698 153027530 /nfs/dbraw/zinc/02/75/30/153027530.db2.gz DMWQTVVMNXYTMC-HZPDHXFCSA-N 2 2 333.436 1.093 20 0 EDADLP CCOC(=O)CC[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000363780189 153054140 /nfs/dbraw/zinc/05/41/40/153054140.db2.gz PWMDWZCYPOQPES-UHFFFAOYSA-N 2 2 334.464 1.599 20 0 EDADLP COCCC[N@@H+]1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000363817983 153066200 /nfs/dbraw/zinc/06/62/00/153066200.db2.gz LCZROCQFTCYMTM-UHFFFAOYSA-N 2 2 345.447 1.588 20 0 EDADLP COCCC[N@H+]1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000363817983 153066202 /nfs/dbraw/zinc/06/62/02/153066202.db2.gz LCZROCQFTCYMTM-UHFFFAOYSA-N 2 2 345.447 1.588 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000363913692 153093881 /nfs/dbraw/zinc/09/38/81/153093881.db2.gz KMIGCIPXSRHULC-HZPDHXFCSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000363913692 153093884 /nfs/dbraw/zinc/09/38/84/153093884.db2.gz KMIGCIPXSRHULC-HZPDHXFCSA-N 2 2 329.448 1.540 20 0 EDADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000363960414 153108824 /nfs/dbraw/zinc/10/88/24/153108824.db2.gz MCGNDZHPRJBNPK-GOEBONIOSA-N 2 2 342.447 1.795 20 0 EDADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000363960414 153108826 /nfs/dbraw/zinc/10/88/26/153108826.db2.gz MCGNDZHPRJBNPK-GOEBONIOSA-N 2 2 342.447 1.795 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCCC3CCOCC3)CCO2)CC1 ZINC000364233748 153180942 /nfs/dbraw/zinc/18/09/42/153180942.db2.gz AGHOTMSWFZNLND-GOSISDBHSA-N 2 2 325.497 1.141 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCCC3CCOCC3)CCO2)CC1 ZINC000364233748 153180947 /nfs/dbraw/zinc/18/09/47/153180947.db2.gz AGHOTMSWFZNLND-GOSISDBHSA-N 2 2 325.497 1.141 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)C2 ZINC000364528006 153259182 /nfs/dbraw/zinc/25/91/82/153259182.db2.gz HJNNCQUKMWEZNN-LSDHHAIUSA-N 2 2 348.491 1.723 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)CC2 ZINC000364528006 153259185 /nfs/dbraw/zinc/25/91/85/153259185.db2.gz HJNNCQUKMWEZNN-LSDHHAIUSA-N 2 2 348.491 1.723 20 0 EDADLP COCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000364693783 153305824 /nfs/dbraw/zinc/30/58/24/153305824.db2.gz FGBVFFFKOLRAFJ-ROUUACIJSA-N 2 2 329.448 1.707 20 0 EDADLP COCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000364693783 153305827 /nfs/dbraw/zinc/30/58/27/153305827.db2.gz FGBVFFFKOLRAFJ-ROUUACIJSA-N 2 2 329.448 1.707 20 0 EDADLP Cc1cccn2cc(CNC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)[nH+]c12 ZINC000364726639 153315459 /nfs/dbraw/zinc/31/54/59/153315459.db2.gz ZMFYUUHNRKJDCW-SPYBWZPUSA-N 2 2 342.443 1.791 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000364734453 153319123 /nfs/dbraw/zinc/31/91/23/153319123.db2.gz KRCYBVFXGXVIHM-DDUZABMNSA-N 2 2 332.448 1.532 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000364817245 153342520 /nfs/dbraw/zinc/34/25/20/153342520.db2.gz IOLBQZURITZXPU-LJQANCHMSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000364817245 153342526 /nfs/dbraw/zinc/34/25/26/153342526.db2.gz IOLBQZURITZXPU-LJQANCHMSA-N 2 2 343.471 1.875 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000364849041 153351248 /nfs/dbraw/zinc/35/12/48/153351248.db2.gz DUAJRGTTZCSXET-SJLPKXTDSA-N 2 2 335.423 1.186 20 0 EDADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364955758 153382986 /nfs/dbraw/zinc/38/29/86/153382986.db2.gz RADIIWJSSLGSDX-HUUCEWRRSA-N 2 2 328.416 1.992 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000364962950 153384475 /nfs/dbraw/zinc/38/44/75/153384475.db2.gz MHJDXUQTGFEFSG-IRXDYDNUSA-N 2 2 328.522 1.865 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000364962950 153384478 /nfs/dbraw/zinc/38/44/78/153384478.db2.gz MHJDXUQTGFEFSG-IRXDYDNUSA-N 2 2 328.522 1.865 20 0 EDADLP CC(C)N1CC[NH+](CCCN2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000367097652 154008372 /nfs/dbraw/zinc/00/83/72/154008372.db2.gz BGYDBKUSDYKJED-GOSISDBHSA-N 2 2 340.581 1.526 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000367113822 154012610 /nfs/dbraw/zinc/01/26/10/154012610.db2.gz LJHPZOVNMDYMSF-MRXNPFEDSA-N 2 2 325.416 1.547 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367123487 154016483 /nfs/dbraw/zinc/01/64/83/154016483.db2.gz SBMGYLXCHLNPBO-HOTGVXAUSA-N 2 2 343.431 1.387 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367123487 154016487 /nfs/dbraw/zinc/01/64/87/154016487.db2.gz SBMGYLXCHLNPBO-HOTGVXAUSA-N 2 2 343.431 1.387 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000367446857 154125716 /nfs/dbraw/zinc/12/57/16/154125716.db2.gz HKQATRXRPUSTJQ-CABCVRRESA-N 2 2 325.478 1.499 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000367446857 154125719 /nfs/dbraw/zinc/12/57/19/154125719.db2.gz HKQATRXRPUSTJQ-CABCVRRESA-N 2 2 325.478 1.499 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1c[nH+]c2n1CCCC2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000367487666 154146736 /nfs/dbraw/zinc/14/67/36/154146736.db2.gz AEAMRJWWQXGPHW-RKVPGOIHSA-N 2 2 348.491 1.969 20 0 EDADLP CCCCOC(=O)[C@@H](C)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367623942 154204286 /nfs/dbraw/zinc/20/42/86/154204286.db2.gz SCURCJLFRINIDX-NVXWUHKLSA-N 2 2 325.497 1.819 20 0 EDADLP CCCCOC(=O)[C@@H](C)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367623942 154204287 /nfs/dbraw/zinc/20/42/87/154204287.db2.gz SCURCJLFRINIDX-NVXWUHKLSA-N 2 2 325.497 1.819 20 0 EDADLP COCCc1cc[nH+]c(NC2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000367688520 154230912 /nfs/dbraw/zinc/23/09/12/154230912.db2.gz NALWDWSMMSXQFZ-UHFFFAOYSA-N 2 2 348.491 1.479 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C(=O)C1 ZINC000367878124 154309666 /nfs/dbraw/zinc/30/96/66/154309666.db2.gz JHQGIRGFFGPBLJ-UHFFFAOYSA-N 2 2 333.480 1.446 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C(=O)C1 ZINC000367878124 154309670 /nfs/dbraw/zinc/30/96/70/154309670.db2.gz JHQGIRGFFGPBLJ-UHFFFAOYSA-N 2 2 333.480 1.446 20 0 EDADLP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)C2)CC1 ZINC000368009148 154366562 /nfs/dbraw/zinc/36/65/62/154366562.db2.gz WQGONZYVIOXJSG-FUHWJXTLSA-N 2 2 340.475 1.652 20 0 EDADLP CCc1nnc2n1C[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000369421418 155025577 /nfs/dbraw/zinc/02/55/77/155025577.db2.gz CCOKJBROZCSQDX-QGZVFWFLSA-N 2 2 340.475 1.805 20 0 EDADLP CCc1nc(C[N@H+]2C[C@H]3CN(CC[NH+]4CCCCC4)C[C@H]3C2)no1 ZINC000371730437 156079857 /nfs/dbraw/zinc/07/98/57/156079857.db2.gz UAQTZCKRAHGQCD-IYBDPMFKSA-N 2 2 333.480 1.482 20 0 EDADLP CCc1nc(C[N@@H+]2C[C@H]3CN(CC[NH+]4CCCCC4)C[C@H]3C2)no1 ZINC000371730437 156079859 /nfs/dbraw/zinc/07/98/59/156079859.db2.gz UAQTZCKRAHGQCD-IYBDPMFKSA-N 2 2 333.480 1.482 20 0 EDADLP COc1ccc([C@@H](NC(=O)C2CC[NH+](C)CC2)c2[nH+]ccn2C)cc1 ZINC000371813242 156116359 /nfs/dbraw/zinc/11/63/59/156116359.db2.gz ZSACXRYZFNWQEB-QGZVFWFLSA-N 2 2 342.443 1.976 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000371855670 156139330 /nfs/dbraw/zinc/13/93/30/156139330.db2.gz HNUHOECTKMDIPF-KRWDZBQOSA-N 2 2 341.459 1.926 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000371855670 156139332 /nfs/dbraw/zinc/13/93/32/156139332.db2.gz HNUHOECTKMDIPF-KRWDZBQOSA-N 2 2 341.459 1.926 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCOC[C@H](C)C3)CC2)c1 ZINC000372218260 156274126 /nfs/dbraw/zinc/27/41/26/156274126.db2.gz SPTZTYQXVNLVGZ-GOSISDBHSA-N 2 2 345.487 1.608 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCOC[C@H](C)C3)CC2)c1 ZINC000372218260 156274129 /nfs/dbraw/zinc/27/41/29/156274129.db2.gz SPTZTYQXVNLVGZ-GOSISDBHSA-N 2 2 345.487 1.608 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000372295179 156317619 /nfs/dbraw/zinc/31/76/19/156317619.db2.gz QMYUQIQVVFTMKL-QGZVFWFLSA-N 2 2 332.448 1.147 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000372295179 156317622 /nfs/dbraw/zinc/31/76/22/156317622.db2.gz QMYUQIQVVFTMKL-QGZVFWFLSA-N 2 2 332.448 1.147 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374020718 157111223 /nfs/dbraw/zinc/11/12/23/157111223.db2.gz AYRWOBIZQVHWKW-IAGOWNOFSA-N 2 2 326.400 1.270 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374020718 157111224 /nfs/dbraw/zinc/11/12/24/157111224.db2.gz AYRWOBIZQVHWKW-IAGOWNOFSA-N 2 2 326.400 1.270 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@]2([NH+](C)C)CCCSC2)CC1 ZINC000374072940 157131070 /nfs/dbraw/zinc/13/10/70/157131070.db2.gz VIQARHYJFFMNGX-SFHVURJKSA-N 2 2 348.516 1.866 20 0 EDADLP COc1cc(C[N@@H+]2CCCN(Cc3[nH+]ccn3C)CC2)ccc1O ZINC000374241740 157210948 /nfs/dbraw/zinc/21/09/48/157210948.db2.gz PEZJYLSZSOPXSE-UHFFFAOYSA-N 2 2 330.432 1.842 20 0 EDADLP COc1cc(C[N@H+]2CCCN(Cc3[nH+]ccn3C)CC2)ccc1O ZINC000374241740 157210949 /nfs/dbraw/zinc/21/09/49/157210949.db2.gz PEZJYLSZSOPXSE-UHFFFAOYSA-N 2 2 330.432 1.842 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N(C)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374327803 157245313 /nfs/dbraw/zinc/24/53/13/157245313.db2.gz XGJPXLFGMNNZBT-PKOBYXMFSA-N 2 2 344.503 1.607 20 0 EDADLP COc1ccccc1[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[NH2+]1 ZINC000374368267 157263272 /nfs/dbraw/zinc/26/32/72/157263272.db2.gz YSTSPLXIMJDTLR-QGZVFWFLSA-N 2 2 331.460 1.900 20 0 EDADLP COCC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000374380435 157267750 /nfs/dbraw/zinc/26/77/50/157267750.db2.gz LEMDUIXLXCXMGK-KRWDZBQOSA-N 2 2 332.448 1.147 20 0 EDADLP COCC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000374380435 157267755 /nfs/dbraw/zinc/26/77/55/157267755.db2.gz LEMDUIXLXCXMGK-KRWDZBQOSA-N 2 2 332.448 1.147 20 0 EDADLP COc1ccc([C@@H]2C[C@@H](C)C[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000374482152 157304760 /nfs/dbraw/zinc/30/47/60/157304760.db2.gz RDDSMBKAVANZHW-QAPCUYQASA-N 2 2 331.460 1.852 20 0 EDADLP COc1ccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000374482152 157304762 /nfs/dbraw/zinc/30/47/62/157304762.db2.gz RDDSMBKAVANZHW-QAPCUYQASA-N 2 2 331.460 1.852 20 0 EDADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1cscn1 ZINC000575752162 306671085 /nfs/dbraw/zinc/67/10/85/306671085.db2.gz JLZYJAOKXRONMW-MRXNPFEDSA-N 2 2 345.472 1.081 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)C[N@@H+]1Cc1ccccc1 ZINC000378068068 158070870 /nfs/dbraw/zinc/07/08/70/158070870.db2.gz IUVZKNCIKIHCTK-HOCLYGCPSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)C[N@H+]1Cc1ccccc1 ZINC000378068068 158070872 /nfs/dbraw/zinc/07/08/72/158070872.db2.gz IUVZKNCIKIHCTK-HOCLYGCPSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@@H](NC(=O)c1cccn1C1CC[NH2+]CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000378208344 158110144 /nfs/dbraw/zinc/11/01/44/158110144.db2.gz VUWPJKYDIZONMV-HUUCEWRRSA-N 2 2 334.464 1.252 20 0 EDADLP COCC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000378212326 158110949 /nfs/dbraw/zinc/11/09/49/158110949.db2.gz UOAHGLWATQRICU-IBGZPJMESA-N 2 2 347.459 1.474 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000378226143 158114779 /nfs/dbraw/zinc/11/47/79/158114779.db2.gz NCSFCJGLGULBDZ-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP Cc1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000378405314 158165190 /nfs/dbraw/zinc/16/51/90/158165190.db2.gz RGTGUQODMUKRPR-SFHVURJKSA-N 2 2 345.487 1.870 20 0 EDADLP Cc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000378405314 158165191 /nfs/dbraw/zinc/16/51/91/158165191.db2.gz RGTGUQODMUKRPR-SFHVURJKSA-N 2 2 345.487 1.870 20 0 EDADLP CCc1nn(C)cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378422169 158169368 /nfs/dbraw/zinc/16/93/68/158169368.db2.gz JUDVZCIOYSVDOT-AWEZNQCLSA-N 2 2 333.480 1.223 20 0 EDADLP CCc1nn(C)cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378422169 158169371 /nfs/dbraw/zinc/16/93/71/158169371.db2.gz JUDVZCIOYSVDOT-AWEZNQCLSA-N 2 2 333.480 1.223 20 0 EDADLP CCN(C)C(=O)CC[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000378491277 158191236 /nfs/dbraw/zinc/19/12/36/158191236.db2.gz DXYGPAGQBSOSKV-UHFFFAOYSA-N 2 2 347.507 1.514 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378528707 158201398 /nfs/dbraw/zinc/20/13/98/158201398.db2.gz AMVNADBUEFSBCJ-QGZVFWFLSA-N 3 2 325.497 1.020 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378528707 158201400 /nfs/dbraw/zinc/20/14/00/158201400.db2.gz AMVNADBUEFSBCJ-QGZVFWFLSA-N 3 2 325.497 1.020 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)CC1 ZINC000378585677 158215165 /nfs/dbraw/zinc/21/51/65/158215165.db2.gz XGOFRJBZNDTIIP-INIZCTEOSA-N 2 2 327.432 1.057 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)CC1 ZINC000378585677 158215168 /nfs/dbraw/zinc/21/51/68/158215168.db2.gz XGOFRJBZNDTIIP-INIZCTEOSA-N 2 2 327.432 1.057 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000576133483 306678842 /nfs/dbraw/zinc/67/88/42/306678842.db2.gz HYAQRVJXNUNZOA-SFHVURJKSA-N 2 2 348.491 1.667 20 0 EDADLP OC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000352402736 162164902 /nfs/dbraw/zinc/16/49/02/162164902.db2.gz PDEOPKSIXQBQLV-RTBURBONSA-N 2 2 333.476 1.328 20 0 EDADLP O=C(C[N@H+](CCO)CC1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000352484452 162207241 /nfs/dbraw/zinc/20/72/41/162207241.db2.gz PKZOMRCYMUBHJL-UHFFFAOYSA-N 2 2 337.489 1.097 20 0 EDADLP O=C(C[N@@H+](CCO)CC1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000352484452 162207242 /nfs/dbraw/zinc/20/72/42/162207242.db2.gz PKZOMRCYMUBHJL-UHFFFAOYSA-N 2 2 337.489 1.097 20 0 EDADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352505284 162216860 /nfs/dbraw/zinc/21/68/60/162216860.db2.gz ZOVZVNFXGRJQLY-LMMKCTJWSA-N 2 2 344.503 1.274 20 0 EDADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352524207 162230664 /nfs/dbraw/zinc/23/06/64/162230664.db2.gz AIEPMCUFZQDKHE-YJBOKZPZSA-N 2 2 348.466 1.325 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000364129973 162320194 /nfs/dbraw/zinc/32/01/94/162320194.db2.gz GQRIPKVZXBPRHU-GOEBONIOSA-N 2 2 342.447 1.749 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000364129973 162320199 /nfs/dbraw/zinc/32/01/99/162320199.db2.gz GQRIPKVZXBPRHU-GOEBONIOSA-N 2 2 342.447 1.749 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000364231117 162322250 /nfs/dbraw/zinc/32/22/50/162322250.db2.gz ATFLOSIFSAVWBO-ZDUSSCGKSA-N 2 2 339.399 1.997 20 0 EDADLP CCc1oc(C(=O)OC)cc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364228742 162322406 /nfs/dbraw/zinc/32/24/06/162322406.db2.gz FFALTTNKGCAKKR-MRXNPFEDSA-N 2 2 349.475 1.840 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2 ZINC000365721847 162364784 /nfs/dbraw/zinc/36/47/84/162364784.db2.gz HPPDZSZJHXXMBK-UHFFFAOYSA-N 2 2 346.475 1.877 20 0 EDADLP C[C@H](C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)S(C)(=O)=O ZINC000450340661 298545644 /nfs/dbraw/zinc/54/56/44/298545644.db2.gz GXLOLCMWMPGKDB-RBSFLKMASA-N 2 2 332.510 1.241 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]2CCOCC2)c1 ZINC000063466990 287238660 /nfs/dbraw/zinc/23/86/60/287238660.db2.gz DSAWXHKHTOEDGL-SFHVURJKSA-N 2 2 333.476 1.825 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[N@H+](C)C(C)C)[NH+]2CCOCC2)c1 ZINC000063466990 287238661 /nfs/dbraw/zinc/23/86/61/287238661.db2.gz DSAWXHKHTOEDGL-SFHVURJKSA-N 2 2 333.476 1.825 20 0 EDADLP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000120988971 287366800 /nfs/dbraw/zinc/36/68/00/287366800.db2.gz AETUDSPEUBYNJN-UHFFFAOYSA-N 2 2 329.404 1.221 20 0 EDADLP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000376886857 287367060 /nfs/dbraw/zinc/36/70/60/287367060.db2.gz JRYIFUUYKMTBIU-APWZRJJASA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000376886857 287367061 /nfs/dbraw/zinc/36/70/61/287367061.db2.gz JRYIFUUYKMTBIU-APWZRJJASA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376886857 287367063 /nfs/dbraw/zinc/36/70/63/287367063.db2.gz JRYIFUUYKMTBIU-APWZRJJASA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376886857 287367064 /nfs/dbraw/zinc/36/70/64/287367064.db2.gz JRYIFUUYKMTBIU-APWZRJJASA-N 2 2 349.519 1.963 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123286438 222248957 /nfs/dbraw/zinc/24/89/57/222248957.db2.gz XACOZJKLOYHPGI-CZUORRHYSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123286438 222248960 /nfs/dbraw/zinc/24/89/60/222248960.db2.gz XACOZJKLOYHPGI-CZUORRHYSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123286438 222248962 /nfs/dbraw/zinc/24/89/62/222248962.db2.gz XACOZJKLOYHPGI-CZUORRHYSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123286438 222248966 /nfs/dbraw/zinc/24/89/66/222248966.db2.gz XACOZJKLOYHPGI-CZUORRHYSA-N 2 2 333.432 1.826 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)s1 ZINC000418393253 304490188 /nfs/dbraw/zinc/49/01/88/304490188.db2.gz FAWPYKUEJMCSDY-MRXNPFEDSA-N 2 2 336.505 1.875 20 0 EDADLP CC[C@H](C)[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)c1ccco1 ZINC000359566480 287624078 /nfs/dbraw/zinc/62/40/78/287624078.db2.gz VRQVPQACCQKXMR-LSDHHAIUSA-N 2 2 337.464 1.936 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663640405 452382859 /nfs/dbraw/zinc/38/28/59/452382859.db2.gz DTHFGYVDNTWWEK-INIZCTEOSA-N 3 2 327.517 1.044 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663640405 452382866 /nfs/dbraw/zinc/38/28/66/452382866.db2.gz DTHFGYVDNTWWEK-INIZCTEOSA-N 3 2 327.517 1.044 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237147531 273008154 /nfs/dbraw/zinc/00/81/54/273008154.db2.gz CAIHXRSMOACHCU-GJZGRUSLSA-N 2 2 336.455 1.308 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)[nH+]c2c1 ZINC000273360204 268034576 /nfs/dbraw/zinc/03/45/76/268034576.db2.gz FECFNTBGXNRHJR-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)[nH+]c2c1 ZINC000273360204 268034578 /nfs/dbraw/zinc/03/45/78/268034578.db2.gz FECFNTBGXNRHJR-LSDHHAIUSA-N 2 2 345.447 1.239 20 0 EDADLP COC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274056651 268101976 /nfs/dbraw/zinc/10/19/76/268101976.db2.gz ODNNKAJJKMDCQK-MRXNPFEDSA-N 2 2 347.459 1.072 20 0 EDADLP COC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000274056651 268101977 /nfs/dbraw/zinc/10/19/77/268101977.db2.gz ODNNKAJJKMDCQK-MRXNPFEDSA-N 2 2 347.459 1.072 20 0 EDADLP CN1CCN(c2cc(NCC[NH+]3CCCCCC3)nc[nH+]2)CC1=O ZINC000274322456 268125025 /nfs/dbraw/zinc/12/50/25/268125025.db2.gz DDTOJRDZBWEBCG-UHFFFAOYSA-N 2 2 332.452 1.043 20 0 EDADLP C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000275218992 268302210 /nfs/dbraw/zinc/30/22/10/268302210.db2.gz JLGDCNXIEHWYRV-FUHWJXTLSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000275218992 268302212 /nfs/dbraw/zinc/30/22/12/268302212.db2.gz JLGDCNXIEHWYRV-FUHWJXTLSA-N 2 2 331.460 1.613 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c[nH+]1 ZINC000275279144 268313216 /nfs/dbraw/zinc/31/32/16/268313216.db2.gz DTACLLLGRNNXFG-AWEZNQCLSA-N 2 2 328.420 1.406 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000275305710 268318552 /nfs/dbraw/zinc/31/85/52/268318552.db2.gz HJWVWCSOVITZRH-AWEZNQCLSA-N 2 2 338.415 1.635 20 0 EDADLP Cc1cccc(CN2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000275349424 268327828 /nfs/dbraw/zinc/32/78/28/268327828.db2.gz ZKEUKCDMHLVYCP-UHFFFAOYSA-N 2 2 344.503 1.277 20 0 EDADLP Cc1cccc(C[NH+]2CCN(CCC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000275349424 268327829 /nfs/dbraw/zinc/32/78/29/268327829.db2.gz ZKEUKCDMHLVYCP-UHFFFAOYSA-N 2 2 344.503 1.277 20 0 EDADLP CS[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@H]1[NH+]1CCCC1 ZINC000275400472 268337537 /nfs/dbraw/zinc/33/75/37/268337537.db2.gz DWAFADZVMZAHIN-CHWSQXEVSA-N 2 2 345.476 1.261 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000273234988 273034438 /nfs/dbraw/zinc/03/44/38/273034438.db2.gz XRZLDTLUTJJXCZ-LSDHHAIUSA-N 2 2 335.448 1.135 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000273234988 273034439 /nfs/dbraw/zinc/03/44/39/273034439.db2.gz XRZLDTLUTJJXCZ-LSDHHAIUSA-N 2 2 335.448 1.135 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1ccccn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275770725 273127241 /nfs/dbraw/zinc/12/72/41/273127241.db2.gz SDFWQZWMLVGJPF-OAHLLOKOSA-N 2 2 325.416 1.600 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)NCCCNc1cccc[nH+]1 ZINC000046750079 272912724 /nfs/dbraw/zinc/91/27/24/272912724.db2.gz IGSUOHDUZVCOMS-UHFFFAOYSA-N 2 2 335.452 1.295 20 0 EDADLP Nc1[nH+]cnc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1Cl ZINC000277288614 273187927 /nfs/dbraw/zinc/18/79/27/273187927.db2.gz BJAQZYKNNOQLPH-ZDUSSCGKSA-N 2 2 333.823 1.543 20 0 EDADLP Nc1[nH+]cnc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1Cl ZINC000277288614 273187928 /nfs/dbraw/zinc/18/79/28/273187928.db2.gz BJAQZYKNNOQLPH-ZDUSSCGKSA-N 2 2 333.823 1.543 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000279249700 273288697 /nfs/dbraw/zinc/28/86/97/273288697.db2.gz PDMPGKNTZJNHIQ-LSDHHAIUSA-N 2 2 338.452 1.244 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000280196679 273350876 /nfs/dbraw/zinc/35/08/76/273350876.db2.gz IPOCPEVMUXDPND-UHFFFAOYSA-N 2 2 343.431 1.957 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]([NH3+])Cc1ccccc1)C2 ZINC000168406035 273569690 /nfs/dbraw/zinc/56/96/90/273569690.db2.gz NRYALZBVGCGYML-OAHLLOKOSA-N 2 2 326.444 1.998 20 0 EDADLP C[C@H](CO)[N@H+](C[C@H](C)O)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283915893 274009673 /nfs/dbraw/zinc/00/96/73/274009673.db2.gz CBGXMGFEHDMQLU-AOIWGVFYSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](CO)[N@@H+](C[C@H](C)O)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283915893 274009675 /nfs/dbraw/zinc/00/96/75/274009675.db2.gz CBGXMGFEHDMQLU-AOIWGVFYSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](CO)[NH+](C[C@H](C)O)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283915893 274009676 /nfs/dbraw/zinc/00/96/76/274009676.db2.gz CBGXMGFEHDMQLU-AOIWGVFYSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](CO)[NH+](C[C@H](C)O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283915893 274009677 /nfs/dbraw/zinc/00/96/77/274009677.db2.gz CBGXMGFEHDMQLU-AOIWGVFYSA-N 2 2 336.476 1.341 20 0 EDADLP CNC(=O)CCC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284070122 274068959 /nfs/dbraw/zinc/06/89/59/274068959.db2.gz KRFOCTFPMSKCAJ-SFHVURJKSA-N 2 2 333.476 1.736 20 0 EDADLP CNC(=O)CCC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284070122 274068960 /nfs/dbraw/zinc/06/89/60/274068960.db2.gz KRFOCTFPMSKCAJ-SFHVURJKSA-N 2 2 333.476 1.736 20 0 EDADLP CNC(=O)CCC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284070122 274068961 /nfs/dbraw/zinc/06/89/61/274068961.db2.gz KRFOCTFPMSKCAJ-SFHVURJKSA-N 2 2 333.476 1.736 20 0 EDADLP CNC(=O)CCC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284070122 274068962 /nfs/dbraw/zinc/06/89/62/274068962.db2.gz KRFOCTFPMSKCAJ-SFHVURJKSA-N 2 2 333.476 1.736 20 0 EDADLP CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000284397012 274186977 /nfs/dbraw/zinc/18/69/77/274186977.db2.gz WDKCRFWSTAHNCD-OALUTQOASA-N 2 2 346.519 1.933 20 0 EDADLP CC(C)[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000284397012 274186978 /nfs/dbraw/zinc/18/69/78/274186978.db2.gz WDKCRFWSTAHNCD-OALUTQOASA-N 2 2 346.519 1.933 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423932941 274243474 /nfs/dbraw/zinc/24/34/74/274243474.db2.gz QLJAECDWHHYMKP-JLSDUUJJSA-N 2 2 331.460 1.657 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423932941 274243479 /nfs/dbraw/zinc/24/34/79/274243479.db2.gz QLJAECDWHHYMKP-JLSDUUJJSA-N 2 2 331.460 1.657 20 0 EDADLP Cn1nccc1/C=C\C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000255865195 287851166 /nfs/dbraw/zinc/85/11/66/287851166.db2.gz RSEIDGUJEPOAAQ-SREVYHEPSA-N 2 2 345.491 1.500 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000246844067 276315870 /nfs/dbraw/zinc/31/58/70/276315870.db2.gz OUDCTHMZBYXTRR-IKGGRYGDSA-N 2 2 348.491 1.699 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000246844067 276315872 /nfs/dbraw/zinc/31/58/72/276315872.db2.gz OUDCTHMZBYXTRR-IKGGRYGDSA-N 2 2 348.491 1.699 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000341695918 276388745 /nfs/dbraw/zinc/38/87/45/276388745.db2.gz KZJIKFHBFSSQQA-CHWSQXEVSA-N 2 2 327.494 1.908 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CCSCC3)C2)CC1 ZINC000371676330 277027623 /nfs/dbraw/zinc/02/76/23/277027623.db2.gz VKUIPHZIRRPCJT-CQSZACIVSA-N 2 2 326.510 1.350 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CCSCC3)C2)CC1 ZINC000371676330 277027625 /nfs/dbraw/zinc/02/76/25/277027625.db2.gz VKUIPHZIRRPCJT-CQSZACIVSA-N 2 2 326.510 1.350 20 0 EDADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414985556 277151521 /nfs/dbraw/zinc/15/15/21/277151521.db2.gz NAWGXCFXMNBVTI-AWEZNQCLSA-N 3 2 336.446 1.675 20 0 EDADLP COC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000372322115 277179153 /nfs/dbraw/zinc/17/91/53/277179153.db2.gz VTBFQRMVUPVVDC-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP COC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000372322115 277179155 /nfs/dbraw/zinc/17/91/55/277179155.db2.gz VTBFQRMVUPVVDC-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CO[C@](C)(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369273576 277356390 /nfs/dbraw/zinc/35/63/90/277356390.db2.gz HRFNEJAMROHHCA-XLIONFOSSA-N 2 2 345.487 1.833 20 0 EDADLP CO[C@](C)(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369273576 277356391 /nfs/dbraw/zinc/35/63/91/277356391.db2.gz HRFNEJAMROHHCA-XLIONFOSSA-N 2 2 345.487 1.833 20 0 EDADLP COc1ncc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)c(C)n1 ZINC000451027825 278088851 /nfs/dbraw/zinc/08/88/51/278088851.db2.gz XLWHEDMVMUQPBV-OAHLLOKOSA-N 2 2 343.431 1.908 20 0 EDADLP COc1ncc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)c(C)n1 ZINC000451027825 278088853 /nfs/dbraw/zinc/08/88/53/278088853.db2.gz XLWHEDMVMUQPBV-OAHLLOKOSA-N 2 2 343.431 1.908 20 0 EDADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000186102730 278254984 /nfs/dbraw/zinc/25/49/84/278254984.db2.gz ZLHVOYCSZHRKFG-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000286625291 288048416 /nfs/dbraw/zinc/04/84/16/288048416.db2.gz ZEOJHSRRTSPGAF-GJZGRUSLSA-N 2 2 349.479 1.413 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156802842 279183931 /nfs/dbraw/zinc/18/39/31/279183931.db2.gz ADPHNYSOVKZJOO-IAGOWNOFSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156802842 279183932 /nfs/dbraw/zinc/18/39/32/279183932.db2.gz ADPHNYSOVKZJOO-IAGOWNOFSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1CCC[C@@](CNC(=O)N2CCc3c([nH+]cn3C)C2)([NH+](C)C)C1 ZINC000369381613 279682783 /nfs/dbraw/zinc/68/27/83/279682783.db2.gz MUQJSPWXTITWMO-KBXCAEBGSA-N 2 2 333.480 1.998 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457788108 279997818 /nfs/dbraw/zinc/99/78/18/279997818.db2.gz ABELAKUFFJDYKU-YJBOKZPZSA-N 2 2 335.492 1.573 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000362856366 280000740 /nfs/dbraw/zinc/00/07/40/280000740.db2.gz RCAGNSQBVAMWCG-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000362856366 280000744 /nfs/dbraw/zinc/00/07/44/280000744.db2.gz RCAGNSQBVAMWCG-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000362856366 280000747 /nfs/dbraw/zinc/00/07/47/280000747.db2.gz RCAGNSQBVAMWCG-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000362856366 280000750 /nfs/dbraw/zinc/00/07/50/280000750.db2.gz RCAGNSQBVAMWCG-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000287332425 288212274 /nfs/dbraw/zinc/21/22/74/288212274.db2.gz ICTVVJZCBDSUGR-USXIJHARSA-N 2 2 334.464 1.308 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000287332425 288212277 /nfs/dbraw/zinc/21/22/77/288212277.db2.gz ICTVVJZCBDSUGR-USXIJHARSA-N 2 2 334.464 1.308 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CC[NH+](C(C)C)CC1)[NH+]1CCOCC1 ZINC000339614087 280242889 /nfs/dbraw/zinc/24/28/89/280242889.db2.gz KDXYLTVHQXIZNV-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000420138112 288721807 /nfs/dbraw/zinc/72/18/07/288721807.db2.gz XFSKWLZANVJTFQ-ILXRZTDVSA-N 2 2 347.463 1.213 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000289703385 288763696 /nfs/dbraw/zinc/76/36/96/288763696.db2.gz FJRJFDDRTOIKEP-CJNGLKHVSA-N 2 2 349.431 1.299 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000290072890 288833920 /nfs/dbraw/zinc/83/39/20/288833920.db2.gz WDLUVUVAFKSIJO-HNNXBMFYSA-N 2 2 348.447 1.215 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000290597150 288922608 /nfs/dbraw/zinc/92/26/08/288922608.db2.gz OWTBLFQPQXVMJB-JQHSSLGASA-N 2 2 330.476 1.921 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)C[N@H+](Cc2ccccc2)C1 ZINC000291502052 289086517 /nfs/dbraw/zinc/08/65/17/289086517.db2.gz HMUGROZOZQCZFF-WMZOPIPTSA-N 2 2 343.475 1.661 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)C[N@@H+](Cc2ccccc2)C1 ZINC000291502052 289086518 /nfs/dbraw/zinc/08/65/18/289086518.db2.gz HMUGROZOZQCZFF-WMZOPIPTSA-N 2 2 343.475 1.661 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000193233193 289103180 /nfs/dbraw/zinc/10/31/80/289103180.db2.gz XEQWETHJCUCATF-HTWSVDAQSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000193233193 289103183 /nfs/dbraw/zinc/10/31/83/289103183.db2.gz XEQWETHJCUCATF-HTWSVDAQSA-N 2 2 337.508 1.866 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292055602 289250480 /nfs/dbraw/zinc/25/04/80/289250480.db2.gz CATOAQNOPSCRMO-FQEVSTJZSA-N 2 2 344.503 1.657 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292055602 289250483 /nfs/dbraw/zinc/25/04/83/289250483.db2.gz CATOAQNOPSCRMO-FQEVSTJZSA-N 2 2 344.503 1.657 20 0 EDADLP CN(CCCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292055602 289250486 /nfs/dbraw/zinc/25/04/86/289250486.db2.gz CATOAQNOPSCRMO-FQEVSTJZSA-N 2 2 344.503 1.657 20 0 EDADLP CN(CCCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292055602 289250488 /nfs/dbraw/zinc/25/04/88/289250488.db2.gz CATOAQNOPSCRMO-FQEVSTJZSA-N 2 2 344.503 1.657 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000292088424 289258760 /nfs/dbraw/zinc/25/87/60/289258760.db2.gz MVLKBEUWUXHYQN-KRWDZBQOSA-N 2 2 331.460 1.872 20 0 EDADLP C[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000132025062 289268576 /nfs/dbraw/zinc/26/85/76/289268576.db2.gz VSWKEPDCEHQEMB-HZPDHXFCSA-N 2 2 341.521 1.137 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](O)c1ccccc1 ZINC000293213404 289551699 /nfs/dbraw/zinc/55/16/99/289551699.db2.gz ZJSXXVNIHQVNOG-MAUKXSAKSA-N 2 2 348.491 1.434 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CCN1C ZINC000333790911 294433598 /nfs/dbraw/zinc/43/35/98/294433598.db2.gz GFMFDHLDNOEOHK-CQSZACIVSA-N 2 2 334.468 1.080 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415456486 295272520 /nfs/dbraw/zinc/27/25/20/295272520.db2.gz KKHRKXPQMUFKHH-IUODEOHRSA-N 2 2 327.388 1.054 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000418552022 304511716 /nfs/dbraw/zinc/51/17/16/304511716.db2.gz LYIUTOOJDMWCLK-UONOGXRCSA-N 2 2 340.493 1.500 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3[C@@H](C)C3(F)F)CC2)CC1 ZINC000422016223 447309883 /nfs/dbraw/zinc/30/98/83/447309883.db2.gz IBHJJNWTEKRKQE-HIFRSBDPSA-N 2 2 329.435 1.906 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3[C@@H](C)C3(F)F)CC2)CC1 ZINC000422016223 447309888 /nfs/dbraw/zinc/30/98/88/447309888.db2.gz IBHJJNWTEKRKQE-HIFRSBDPSA-N 2 2 329.435 1.906 20 0 EDADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000419966695 304718335 /nfs/dbraw/zinc/71/83/35/304718335.db2.gz LSSWSWCQWIPEIX-CABCVRRESA-N 2 2 347.463 1.487 20 0 EDADLP COCCOc1cccc(CNC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420375653 304753241 /nfs/dbraw/zinc/75/32/41/304753241.db2.gz UBBSAYDOXIYZEJ-YZVOILCLSA-N 2 2 349.475 1.304 20 0 EDADLP C[C@@H]([NH3+])CN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420376384 304753483 /nfs/dbraw/zinc/75/34/83/304753483.db2.gz QTCCNJFRRVEOJC-SJLPKXTDSA-N 2 2 330.476 1.142 20 0 EDADLP C[C@H](O)CNc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000294256912 303083894 /nfs/dbraw/zinc/08/38/94/303083894.db2.gz FEAYOEFSLNSONR-HOCLYGCPSA-N 2 2 327.432 1.956 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2COc3ccccc3O2)CC1 ZINC000295291402 303200277 /nfs/dbraw/zinc/20/02/77/303200277.db2.gz MXUMLUIASPAKEQ-MRXNPFEDSA-N 2 2 347.459 1.359 20 0 EDADLP Cc1cc(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cn2cc[nH+]c12 ZINC000296974407 303350442 /nfs/dbraw/zinc/35/04/42/303350442.db2.gz NNVGYMSUJWSRBI-ZBFHGGJFSA-N 2 2 343.431 1.827 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422940385 304880731 /nfs/dbraw/zinc/88/07/31/304880731.db2.gz SSMCIUFNLJPXOQ-CABCVRRESA-N 2 2 335.448 1.570 20 0 EDADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000422941040 304880842 /nfs/dbraw/zinc/88/08/42/304880842.db2.gz UPIMQNLNXADKMI-HOTGVXAUSA-N 2 2 337.489 1.831 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C3([NH3+])CCC3)CC2)c1 ZINC000423816966 304910267 /nfs/dbraw/zinc/91/02/67/304910267.db2.gz YIORVSMXSALIQS-UHFFFAOYSA-N 2 2 333.432 1.100 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1ccc(OC(F)F)cc1 ZINC000428031565 305004585 /nfs/dbraw/zinc/00/45/85/305004585.db2.gz HJEKKXCGRZCKTA-DZGCQCFKSA-N 2 2 339.386 1.588 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1ccc(OC(F)F)cc1 ZINC000428031565 305004586 /nfs/dbraw/zinc/00/45/86/305004586.db2.gz HJEKKXCGRZCKTA-DZGCQCFKSA-N 2 2 339.386 1.588 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC000428066994 305006580 /nfs/dbraw/zinc/00/65/80/305006580.db2.gz PIIKJNDDUKTZIL-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCO1 ZINC000428066994 305006581 /nfs/dbraw/zinc/00/65/81/305006581.db2.gz PIIKJNDDUKTZIL-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000428069285 305006698 /nfs/dbraw/zinc/00/66/98/305006698.db2.gz JJWFCNIAOGLTRE-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000428069285 305006699 /nfs/dbraw/zinc/00/66/99/305006699.db2.gz JJWFCNIAOGLTRE-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000428069285 305006700 /nfs/dbraw/zinc/00/67/00/305006700.db2.gz JJWFCNIAOGLTRE-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000428069285 305006701 /nfs/dbraw/zinc/00/67/01/305006701.db2.gz JJWFCNIAOGLTRE-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000428965302 305021111 /nfs/dbraw/zinc/02/11/11/305021111.db2.gz HBRAVJKMGRVWIO-IAGOWNOFSA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000428965302 305021112 /nfs/dbraw/zinc/02/11/12/305021112.db2.gz HBRAVJKMGRVWIO-IAGOWNOFSA-N 2 2 346.475 1.620 20 0 EDADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)CCCO)n2)CC1 ZINC000428987741 305021725 /nfs/dbraw/zinc/02/17/25/305021725.db2.gz XPXAKNZZSXFCGM-UHFFFAOYSA-N 2 2 340.493 1.628 20 0 EDADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)CCCO)n2)CC1 ZINC000428987741 305021726 /nfs/dbraw/zinc/02/17/26/305021726.db2.gz XPXAKNZZSXFCGM-UHFFFAOYSA-N 2 2 340.493 1.628 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429646039 305033828 /nfs/dbraw/zinc/03/38/28/305033828.db2.gz BZXKBLIPICAZIC-MSOLQXFVSA-N 2 2 329.444 1.485 20 0 EDADLP COCCOc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC[NH+](C)C3)C1)OCO2 ZINC000430131609 305046046 /nfs/dbraw/zinc/04/60/46/305046046.db2.gz KZYOMNDYECKWFN-LJQANCHMSA-N 2 2 348.443 1.968 20 0 EDADLP COCCOc1cc2c(cc1C[N@H+]1CC[C@@]3(CC[NH+](C)C3)C1)OCO2 ZINC000430131609 305046047 /nfs/dbraw/zinc/04/60/47/305046047.db2.gz KZYOMNDYECKWFN-LJQANCHMSA-N 2 2 348.443 1.968 20 0 EDADLP COCCOc1cc2c(cc1C[NH+]1CC[C@@]3(CC[N@H+](C)C3)C1)OCO2 ZINC000430131609 305046048 /nfs/dbraw/zinc/04/60/48/305046048.db2.gz KZYOMNDYECKWFN-LJQANCHMSA-N 2 2 348.443 1.968 20 0 EDADLP COCCOc1cc2c(cc1C[NH+]1CC[C@@]3(CC[N@@H+](C)C3)C1)OCO2 ZINC000430131609 305046049 /nfs/dbraw/zinc/04/60/49/305046049.db2.gz KZYOMNDYECKWFN-LJQANCHMSA-N 2 2 348.443 1.968 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCCCOc1ccccc1F ZINC000430569017 305056073 /nfs/dbraw/zinc/05/60/73/305056073.db2.gz DNUUOFAUKNUJEB-KRWDZBQOSA-N 2 2 325.428 1.674 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000430586477 305057215 /nfs/dbraw/zinc/05/72/15/305057215.db2.gz YPDWEZGMYSLGIQ-HXUWFJFHSA-N 3 2 344.503 1.616 20 0 EDADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430596355 305057748 /nfs/dbraw/zinc/05/77/48/305057748.db2.gz WJUFVMZUQAOVJT-INIZCTEOSA-N 2 2 334.439 1.158 20 0 EDADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430596355 305057749 /nfs/dbraw/zinc/05/77/49/305057749.db2.gz WJUFVMZUQAOVJT-INIZCTEOSA-N 2 2 334.439 1.158 20 0 EDADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430619433 305059390 /nfs/dbraw/zinc/05/93/90/305059390.db2.gz BEEQOKWDEXWNLA-CQSZACIVSA-N 2 2 328.416 1.766 20 0 EDADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430619433 305059391 /nfs/dbraw/zinc/05/93/91/305059391.db2.gz BEEQOKWDEXWNLA-CQSZACIVSA-N 2 2 328.416 1.766 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C2)c(OC)cc1Cl ZINC000430622639 305059677 /nfs/dbraw/zinc/05/96/77/305059677.db2.gz FSQKEYMMXJQKHG-JTQLQIEISA-N 2 2 327.812 1.719 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C2)c(OC)cc1Cl ZINC000430622639 305059678 /nfs/dbraw/zinc/05/96/78/305059678.db2.gz FSQKEYMMXJQKHG-JTQLQIEISA-N 2 2 327.812 1.719 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[NH2+]CC3CC3)CCCCCC2)no1 ZINC000430690014 305062478 /nfs/dbraw/zinc/06/24/78/305062478.db2.gz GMOSGIUIXOVGED-UHFFFAOYSA-N 2 2 349.479 1.797 20 0 EDADLP C[N@H+](CC(=O)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1)[C@H]1CCSC1 ZINC000430731701 305063621 /nfs/dbraw/zinc/06/36/21/305063621.db2.gz NDNCLBIEVNPRNY-GJZGRUSLSA-N 2 2 348.516 1.973 20 0 EDADLP C[N@@H+](CC(=O)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1)[C@H]1CCSC1 ZINC000430731701 305063622 /nfs/dbraw/zinc/06/36/22/305063622.db2.gz NDNCLBIEVNPRNY-GJZGRUSLSA-N 2 2 348.516 1.973 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)C1 ZINC000430924282 305068533 /nfs/dbraw/zinc/06/85/33/305068533.db2.gz ITGCOTRVNDOKKX-KRWDZBQOSA-N 2 2 330.476 1.185 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cccc(C)c3)CC2)C1 ZINC000430924282 305068534 /nfs/dbraw/zinc/06/85/34/305068534.db2.gz ITGCOTRVNDOKKX-KRWDZBQOSA-N 2 2 330.476 1.185 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000430940024 305069636 /nfs/dbraw/zinc/06/96/36/305069636.db2.gz INTHTCPNFNPILN-APWZRJJASA-N 2 2 345.487 1.863 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000430940024 305069637 /nfs/dbraw/zinc/06/96/37/305069637.db2.gz INTHTCPNFNPILN-APWZRJJASA-N 2 2 345.487 1.863 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430952667 305070490 /nfs/dbraw/zinc/07/04/90/305070490.db2.gz ZWSKFFUGJULSGQ-DZGCQCFKSA-N 2 2 335.448 1.331 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430952667 305070491 /nfs/dbraw/zinc/07/04/91/305070491.db2.gz ZWSKFFUGJULSGQ-DZGCQCFKSA-N 2 2 335.448 1.331 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)CC[C@@H]1[NH3+] ZINC000430964721 305071485 /nfs/dbraw/zinc/07/14/85/305071485.db2.gz IWPNHORYVASEAO-YJBOKZPZSA-N 2 2 341.459 1.217 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)CC[C@@H]1[NH3+] ZINC000430964721 305071486 /nfs/dbraw/zinc/07/14/86/305071486.db2.gz IWPNHORYVASEAO-YJBOKZPZSA-N 2 2 341.459 1.217 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC[C@@H]1[NH3+] ZINC000430974376 305071854 /nfs/dbraw/zinc/07/18/54/305071854.db2.gz ZALZQBXLYFEENR-WMZOPIPTSA-N 2 2 345.487 1.520 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)CC[C@@H]1[NH3+] ZINC000430974376 305071855 /nfs/dbraw/zinc/07/18/55/305071855.db2.gz ZALZQBXLYFEENR-WMZOPIPTSA-N 2 2 345.487 1.520 20 0 EDADLP COC(=O)CCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000430984922 305072172 /nfs/dbraw/zinc/07/21/72/305072172.db2.gz PQFFISKYYPVVBR-UHFFFAOYSA-N 2 2 327.469 1.204 20 0 EDADLP COC(=O)CCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000430984922 305072173 /nfs/dbraw/zinc/07/21/73/305072173.db2.gz PQFFISKYYPVVBR-UHFFFAOYSA-N 2 2 327.469 1.204 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)c1 ZINC000431092409 305074751 /nfs/dbraw/zinc/07/47/51/305074751.db2.gz BEIUXFLNCGGKBL-CYBMUJFWSA-N 2 2 333.354 1.452 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC(=O)Nc3ccncc3)C1)CCCC2 ZINC000432077605 305086889 /nfs/dbraw/zinc/08/68/89/305086889.db2.gz OHRZDHQLSJNHQE-INIZCTEOSA-N 2 2 339.443 1.773 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432117696 305087579 /nfs/dbraw/zinc/08/75/79/305087579.db2.gz RZNXZKWAYVCTKO-OAHLLOKOSA-N 2 2 334.464 1.470 20 0 EDADLP COCCCNC(=O)C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432117696 305087580 /nfs/dbraw/zinc/08/75/80/305087580.db2.gz RZNXZKWAYVCTKO-OAHLLOKOSA-N 2 2 334.464 1.470 20 0 EDADLP CC[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1[nH+]ccn1C ZINC000433076254 305099669 /nfs/dbraw/zinc/09/96/69/305099669.db2.gz NDYUJTVVKJEOLD-INIZCTEOSA-N 2 2 327.432 1.827 20 0 EDADLP CC[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1[nH+]ccn1C ZINC000433076254 305099670 /nfs/dbraw/zinc/09/96/70/305099670.db2.gz NDYUJTVVKJEOLD-INIZCTEOSA-N 2 2 327.432 1.827 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434405448 305121961 /nfs/dbraw/zinc/12/19/61/305121961.db2.gz SETNRXOXKDPPLQ-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000434697785 305128257 /nfs/dbraw/zinc/12/82/57/305128257.db2.gz RLYUUXLRFNWKQC-VXGBXAGGSA-N 2 2 328.420 1.742 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1OC ZINC000435393091 305139690 /nfs/dbraw/zinc/13/96/90/305139690.db2.gz YVWKGTOVKATKDY-GOEBONIOSA-N 2 2 349.475 1.769 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1OC ZINC000435393091 305139691 /nfs/dbraw/zinc/13/96/91/305139691.db2.gz YVWKGTOVKATKDY-GOEBONIOSA-N 2 2 349.475 1.769 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC[C@H]1CCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435567793 305142681 /nfs/dbraw/zinc/14/26/81/305142681.db2.gz RHVZYZDAVRUYCG-HOTGVXAUSA-N 2 2 346.475 1.708 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CCOCC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435573874 305142794 /nfs/dbraw/zinc/14/27/94/305142794.db2.gz LMYJBFVQYDODJS-MRXNPFEDSA-N 2 2 346.475 1.708 20 0 EDADLP CC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435612290 305143388 /nfs/dbraw/zinc/14/33/88/305143388.db2.gz FIVHASUKMOUURU-OAHLLOKOSA-N 2 2 340.489 1.933 20 0 EDADLP CC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435612290 305143389 /nfs/dbraw/zinc/14/33/89/305143389.db2.gz FIVHASUKMOUURU-OAHLLOKOSA-N 2 2 340.489 1.933 20 0 EDADLP CC[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435615577 305143571 /nfs/dbraw/zinc/14/35/71/305143571.db2.gz PWDISUXDHMVNPQ-CQSZACIVSA-N 2 2 330.432 1.436 20 0 EDADLP CC[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435615577 305143572 /nfs/dbraw/zinc/14/35/72/305143572.db2.gz PWDISUXDHMVNPQ-CQSZACIVSA-N 2 2 330.432 1.436 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435624754 305143835 /nfs/dbraw/zinc/14/38/35/305143835.db2.gz KAAFCQGNESZXQJ-KRWDZBQOSA-N 2 2 333.476 1.954 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435624754 305143836 /nfs/dbraw/zinc/14/38/36/305143836.db2.gz KAAFCQGNESZXQJ-KRWDZBQOSA-N 2 2 333.476 1.954 20 0 EDADLP Cn1cc[nH+]c1CN(CC(=O)N1CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698021 305145810 /nfs/dbraw/zinc/14/58/10/305145810.db2.gz UVKSNUZSCABUEB-MRXNPFEDSA-N 2 2 345.491 1.377 20 0 EDADLP C[NH2+]CCCN1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000435879236 305148797 /nfs/dbraw/zinc/14/87/97/305148797.db2.gz BRPPBNHIEVJLBM-UHFFFAOYSA-N 2 2 337.464 1.440 20 0 EDADLP C[NH2+]CCC[NH+]1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000435879236 305148798 /nfs/dbraw/zinc/14/87/98/305148798.db2.gz BRPPBNHIEVJLBM-UHFFFAOYSA-N 2 2 337.464 1.440 20 0 EDADLP CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000436263491 305155202 /nfs/dbraw/zinc/15/52/02/305155202.db2.gz UMDLTRFRUSQCDQ-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440819653 305213030 /nfs/dbraw/zinc/21/30/30/305213030.db2.gz CWWYUPRTXPCSQF-JTQLQIEISA-N 2 2 333.358 1.106 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440819653 305213031 /nfs/dbraw/zinc/21/30/31/305213031.db2.gz CWWYUPRTXPCSQF-JTQLQIEISA-N 2 2 333.358 1.106 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441367583 305221580 /nfs/dbraw/zinc/22/15/80/305221580.db2.gz XNCDAFSZCUUQRV-GOEBONIOSA-N 2 2 343.431 1.675 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c(C)[nH+]1 ZINC000447428889 305280269 /nfs/dbraw/zinc/28/02/69/305280269.db2.gz RCGMPCALMHVVIE-UHFFFAOYSA-N 2 2 332.448 1.875 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)c(C)[nH+]1 ZINC000447428889 305280270 /nfs/dbraw/zinc/28/02/70/305280270.db2.gz RCGMPCALMHVVIE-UHFFFAOYSA-N 2 2 332.448 1.875 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449251958 305309673 /nfs/dbraw/zinc/30/96/73/305309673.db2.gz SWXXLERGJXTSBQ-AWEZNQCLSA-N 2 2 328.478 1.097 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449251958 305309674 /nfs/dbraw/zinc/30/96/74/305309674.db2.gz SWXXLERGJXTSBQ-AWEZNQCLSA-N 2 2 328.478 1.097 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000449658730 305316387 /nfs/dbraw/zinc/31/63/87/305316387.db2.gz UFYKVZARZPVPGL-ZFWWWQNUSA-N 2 2 325.403 1.868 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000449658730 305316388 /nfs/dbraw/zinc/31/63/88/305316388.db2.gz UFYKVZARZPVPGL-ZFWWWQNUSA-N 2 2 325.403 1.868 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC(C)(C)CO ZINC000451250530 305335404 /nfs/dbraw/zinc/33/54/04/305335404.db2.gz SKLNWQBFCQHBBW-OAHLLOKOSA-N 2 2 334.464 1.069 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC(C)(C)CO ZINC000451250530 305335405 /nfs/dbraw/zinc/33/54/05/305335405.db2.gz SKLNWQBFCQHBBW-OAHLLOKOSA-N 2 2 334.464 1.069 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C1 ZINC000452352871 305391819 /nfs/dbraw/zinc/39/18/19/305391819.db2.gz IOMHBIVYNSSNKY-INIZCTEOSA-N 2 2 328.416 1.960 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)C1 ZINC000452352871 305391820 /nfs/dbraw/zinc/39/18/20/305391820.db2.gz IOMHBIVYNSSNKY-INIZCTEOSA-N 2 2 328.416 1.960 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000517153877 305748495 /nfs/dbraw/zinc/74/84/95/305748495.db2.gz IXGRDWOPOIXGFB-ZVZYQTTQSA-N 2 2 342.443 1.485 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000377801935 447362560 /nfs/dbraw/zinc/36/25/60/447362560.db2.gz CWRJSIZHIFVXDZ-QZTJIDSGSA-N 2 2 331.460 1.671 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000414936547 447363754 /nfs/dbraw/zinc/36/37/54/447363754.db2.gz CYGOACCLHPYLFZ-UKRRQHHQSA-N 2 2 335.448 1.440 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@@H](C)CO1 ZINC000662860458 453575410 /nfs/dbraw/zinc/57/54/10/453575410.db2.gz RZEIKKICPZBKFZ-ZOWXZIJZSA-N 2 2 325.840 1.565 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@@H](C)CO1 ZINC000662860458 453575416 /nfs/dbraw/zinc/57/54/16/453575416.db2.gz RZEIKKICPZBKFZ-ZOWXZIJZSA-N 2 2 325.840 1.565 20 0 EDADLP CC1(C)CCC[C@@H](C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000533564876 306001014 /nfs/dbraw/zinc/00/10/14/306001014.db2.gz MLVQLHOXBDAMEV-SJORKVTESA-N 2 2 337.508 1.726 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000533574115 306001450 /nfs/dbraw/zinc/00/14/50/306001450.db2.gz GFDLXGACEMUTCR-CVEARBPZSA-N 2 2 331.464 1.690 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000533574115 306001451 /nfs/dbraw/zinc/00/14/51/306001451.db2.gz GFDLXGACEMUTCR-CVEARBPZSA-N 2 2 331.464 1.690 20 0 EDADLP c1cn(CC[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)c[nH+]1 ZINC000535740214 306015869 /nfs/dbraw/zinc/01/58/69/306015869.db2.gz JEAPSERWVNTOHV-UHFFFAOYSA-N 2 2 328.416 1.472 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)CCC[NH+](C)C)CC2 ZINC000540516722 306039970 /nfs/dbraw/zinc/03/99/70/306039970.db2.gz QKKLHEPRWPCUCP-UHFFFAOYSA-N 2 2 349.475 1.472 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)CCC[NH+](C)C)CC2 ZINC000540516722 306039971 /nfs/dbraw/zinc/03/99/71/306039971.db2.gz QKKLHEPRWPCUCP-UHFFFAOYSA-N 2 2 349.475 1.472 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000542471588 306054333 /nfs/dbraw/zinc/05/43/33/306054333.db2.gz BHNYCJPUFCGVCZ-KRWDZBQOSA-N 2 2 330.407 1.883 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000542471588 306054334 /nfs/dbraw/zinc/05/43/34/306054334.db2.gz BHNYCJPUFCGVCZ-KRWDZBQOSA-N 2 2 330.407 1.883 20 0 EDADLP C[NH+]1CCC(CNC(=O)Nc2cncnc2)([NH+]2CCCCC2)CC1 ZINC000546646665 306094544 /nfs/dbraw/zinc/09/45/44/306094544.db2.gz YGTRZJQCAZHVSB-UHFFFAOYSA-N 2 2 332.452 1.548 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547954324 306115757 /nfs/dbraw/zinc/11/57/57/306115757.db2.gz NXQUQEIGFGCEJV-DLBZAZTESA-N 2 2 339.443 1.772 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547954324 306115758 /nfs/dbraw/zinc/11/57/58/306115758.db2.gz NXQUQEIGFGCEJV-DLBZAZTESA-N 2 2 339.443 1.772 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000550644400 306153430 /nfs/dbraw/zinc/15/34/30/306153430.db2.gz FYJSEGRKPANYQD-AWEZNQCLSA-N 2 2 334.445 1.188 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000550644400 306153431 /nfs/dbraw/zinc/15/34/31/306153431.db2.gz FYJSEGRKPANYQD-AWEZNQCLSA-N 2 2 334.445 1.188 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc3c(c2)OCCO3)C[C@@H](C)O1 ZINC000552029449 306173862 /nfs/dbraw/zinc/17/38/62/306173862.db2.gz JXCCKDNMTXEVRM-FMKPAKJESA-N 2 2 336.432 1.018 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+]Cc3cccc(-n4cc[nH+]c4)c3)CC2)N1 ZINC000552228235 306178014 /nfs/dbraw/zinc/17/80/14/306178014.db2.gz LWBKAAJIYRHSCX-UHFFFAOYSA-N 2 2 339.399 1.483 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000553164477 306183389 /nfs/dbraw/zinc/18/33/89/306183389.db2.gz SGGXGQQJNWECHE-OAHLLOKOSA-N 2 2 334.464 1.405 20 0 EDADLP [NH3+]CC1(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000414957036 447374661 /nfs/dbraw/zinc/37/46/61/447374661.db2.gz PGNUNLMYIUCYFZ-UHFFFAOYSA-N 2 2 332.448 1.912 20 0 EDADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414970414 447378582 /nfs/dbraw/zinc/37/85/82/447378582.db2.gz GPRDKQHJHNOWFM-ZDUSSCGKSA-N 2 2 347.415 1.221 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)CC1 ZINC000422196390 447400000 /nfs/dbraw/zinc/40/00/00/447400000.db2.gz DOSIUAPPHIZHIT-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)CC1 ZINC000422196390 447400007 /nfs/dbraw/zinc/40/00/07/447400007.db2.gz DOSIUAPPHIZHIT-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661185846 453751016 /nfs/dbraw/zinc/75/10/16/453751016.db2.gz DGCGDMJUBFRGQX-RYUDHWBXSA-N 2 2 339.383 1.489 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661185846 453751020 /nfs/dbraw/zinc/75/10/20/453751020.db2.gz DGCGDMJUBFRGQX-RYUDHWBXSA-N 2 2 339.383 1.489 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000070925458 441127240 /nfs/dbraw/zinc/12/72/40/441127240.db2.gz RZSAFTHXSPUVFX-UHFFFAOYSA-N 2 2 347.459 1.444 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000080658462 441187621 /nfs/dbraw/zinc/18/76/21/441187621.db2.gz MPTRITVBGDRISK-AEFFLSMTSA-N 3 2 336.524 1.345 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000080658462 441187622 /nfs/dbraw/zinc/18/76/22/441187622.db2.gz MPTRITVBGDRISK-AEFFLSMTSA-N 3 2 336.524 1.345 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080658462 441187624 /nfs/dbraw/zinc/18/76/24/441187624.db2.gz MPTRITVBGDRISK-AEFFLSMTSA-N 3 2 336.524 1.345 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080658462 441187625 /nfs/dbraw/zinc/18/76/25/441187625.db2.gz MPTRITVBGDRISK-AEFFLSMTSA-N 3 2 336.524 1.345 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000105082211 441231035 /nfs/dbraw/zinc/23/10/35/441231035.db2.gz LUGVQWMFVZFMIY-KRWDZBQOSA-N 2 2 346.475 1.788 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000105104080 441233703 /nfs/dbraw/zinc/23/37/03/441233703.db2.gz SCTZYHXRQIHVCX-UHFFFAOYSA-N 2 2 331.464 1.823 20 0 EDADLP CC[NH+](CC)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000047578396 441205734 /nfs/dbraw/zinc/20/57/34/441205734.db2.gz DBMYUHFQDCADKI-SFHVURJKSA-N 2 2 348.491 1.701 20 0 EDADLP C[N@H+](CC(=O)NCC1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968944 441214420 /nfs/dbraw/zinc/21/44/20/441214420.db2.gz JOKZVCURSYANLY-UHFFFAOYSA-N 2 2 330.476 1.547 20 0 EDADLP C[N@@H+](CC(=O)NCC1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968944 441214425 /nfs/dbraw/zinc/21/44/25/441214425.db2.gz JOKZVCURSYANLY-UHFFFAOYSA-N 2 2 330.476 1.547 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cn2ccsc2n1 ZINC000105321513 441251471 /nfs/dbraw/zinc/25/14/71/441251471.db2.gz QJFPKCBUZJTWRI-UHFFFAOYSA-N 2 2 349.504 1.423 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cn2ccsc2n1 ZINC000105321513 441251473 /nfs/dbraw/zinc/25/14/73/441251473.db2.gz QJFPKCBUZJTWRI-UHFFFAOYSA-N 2 2 349.504 1.423 20 0 EDADLP COCC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C1CC1 ZINC000048023915 441252937 /nfs/dbraw/zinc/25/29/37/441252937.db2.gz REBRUKVMHCSBMU-UHFFFAOYSA-N 2 2 345.487 1.750 20 0 EDADLP COCC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C1CC1 ZINC000048023915 441252940 /nfs/dbraw/zinc/25/29/40/441252940.db2.gz REBRUKVMHCSBMU-UHFFFAOYSA-N 2 2 345.487 1.750 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000081355118 441256579 /nfs/dbraw/zinc/25/65/79/441256579.db2.gz QNZUUZSPTGCLBS-LSDHHAIUSA-N 2 2 331.526 1.287 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000105787699 441269017 /nfs/dbraw/zinc/26/90/17/441269017.db2.gz POUGXUCTUVLZIN-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000105787699 441269020 /nfs/dbraw/zinc/26/90/20/441269020.db2.gz POUGXUCTUVLZIN-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000106029585 441322827 /nfs/dbraw/zinc/32/28/27/441322827.db2.gz PUGSVDOQYRRQCW-SFHVURJKSA-N 2 2 341.459 1.367 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)[NH+](C)C ZINC000106426879 441343291 /nfs/dbraw/zinc/34/32/91/441343291.db2.gz ZIYXQCXQFKTICE-SFHVURJKSA-N 2 2 333.476 1.721 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000105897049 441311749 /nfs/dbraw/zinc/31/17/49/441311749.db2.gz HLQFPZRACCOKGJ-UONOGXRCSA-N 2 2 335.452 1.705 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000105897049 441311752 /nfs/dbraw/zinc/31/17/52/441311752.db2.gz HLQFPZRACCOKGJ-UONOGXRCSA-N 2 2 335.452 1.705 20 0 EDADLP CC(C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nc1)[NH+]1CCOCC1 ZINC000051402218 441410690 /nfs/dbraw/zinc/41/06/90/441410690.db2.gz ICNDMWKXIHCQGB-INIZCTEOSA-N 2 2 343.431 1.354 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000052519841 441456317 /nfs/dbraw/zinc/45/63/17/441456317.db2.gz RYHYZXYYDFKLBX-HZPDHXFCSA-N 2 2 327.432 1.903 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000052519841 441456321 /nfs/dbraw/zinc/45/63/21/441456321.db2.gz RYHYZXYYDFKLBX-HZPDHXFCSA-N 2 2 327.432 1.903 20 0 EDADLP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000108481835 441456703 /nfs/dbraw/zinc/45/67/03/441456703.db2.gz OTACVALBTRUTPJ-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000108547585 441463249 /nfs/dbraw/zinc/46/32/49/441463249.db2.gz PSGPEFZELGOAOY-INIZCTEOSA-N 2 2 331.464 1.823 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000108547585 441463253 /nfs/dbraw/zinc/46/32/53/441463253.db2.gz PSGPEFZELGOAOY-INIZCTEOSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796465 441507671 /nfs/dbraw/zinc/50/76/71/441507671.db2.gz QUDYTKWGZHTAMP-ZBFHGGJFSA-N 2 2 347.463 1.925 20 0 EDADLP COC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000054118030 441559672 /nfs/dbraw/zinc/55/96/72/441559672.db2.gz DOCFJMCFPLFVFU-UHFFFAOYSA-N 2 2 331.460 1.442 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC000066874394 441578748 /nfs/dbraw/zinc/57/87/48/441578748.db2.gz WXRDLLNGRRLZBX-UHFFFAOYSA-N 2 2 346.475 1.032 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000076001135 441577038 /nfs/dbraw/zinc/57/70/38/441577038.db2.gz YFUGDMQSKWPGJU-MRXNPFEDSA-N 2 2 339.505 1.629 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000076001135 441577040 /nfs/dbraw/zinc/57/70/40/441577040.db2.gz YFUGDMQSKWPGJU-MRXNPFEDSA-N 2 2 339.505 1.629 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066920232 441587432 /nfs/dbraw/zinc/58/74/32/441587432.db2.gz WULJCBBYRKOPRJ-HLLBOEOZSA-N 2 2 336.480 1.832 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066920232 441587437 /nfs/dbraw/zinc/58/74/37/441587437.db2.gz WULJCBBYRKOPRJ-HLLBOEOZSA-N 2 2 336.480 1.832 20 0 EDADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926389 441596525 /nfs/dbraw/zinc/59/65/25/441596525.db2.gz PUGMKSFLXROBJU-HRCADAONSA-N 2 2 333.480 1.720 20 0 EDADLP O=C(N1CCN(c2cccc[nH+]2)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000114113335 441635566 /nfs/dbraw/zinc/63/55/66/441635566.db2.gz KOSWSZMDMRAKID-UHFFFAOYSA-N 2 2 344.459 1.375 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114456930 441658795 /nfs/dbraw/zinc/65/87/95/441658795.db2.gz CBERVZAXMOHRKF-UHFFFAOYSA-N 3 2 338.540 1.782 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114456930 441658798 /nfs/dbraw/zinc/65/87/98/441658798.db2.gz CBERVZAXMOHRKF-UHFFFAOYSA-N 3 2 338.540 1.782 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000114829642 441687475 /nfs/dbraw/zinc/68/74/75/441687475.db2.gz CDQZTKUKJADGRR-JKSUJKDBSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000114829642 441687479 /nfs/dbraw/zinc/68/74/79/441687479.db2.gz CDQZTKUKJADGRR-JKSUJKDBSA-N 2 2 345.491 1.953 20 0 EDADLP c1nc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000158704880 441757251 /nfs/dbraw/zinc/75/72/51/441757251.db2.gz ABWBBTIFOHLQDE-INIZCTEOSA-N 2 2 347.463 1.004 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077348534 441761020 /nfs/dbraw/zinc/76/10/20/441761020.db2.gz DGEIGLBQMBRYTM-LSDHHAIUSA-N 2 2 335.452 1.072 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000158802758 441764862 /nfs/dbraw/zinc/76/48/62/441764862.db2.gz FDQVKIMJIBGHIY-QRQLOZEOSA-N 3 2 346.519 1.820 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000158802758 441764867 /nfs/dbraw/zinc/76/48/67/441764867.db2.gz FDQVKIMJIBGHIY-QRQLOZEOSA-N 3 2 346.519 1.820 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[NH+]1C ZINC000158802758 441764874 /nfs/dbraw/zinc/76/48/74/441764874.db2.gz FDQVKIMJIBGHIY-QRQLOZEOSA-N 3 2 346.519 1.820 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[NH+]1C ZINC000158802758 441764879 /nfs/dbraw/zinc/76/48/79/441764879.db2.gz FDQVKIMJIBGHIY-QRQLOZEOSA-N 3 2 346.519 1.820 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116400032 441818088 /nfs/dbraw/zinc/81/80/88/441818088.db2.gz REGMHRLUUIWLIU-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000116400032 441818090 /nfs/dbraw/zinc/81/80/90/441818090.db2.gz REGMHRLUUIWLIU-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP C[NH+](C)CCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000042922799 441799283 /nfs/dbraw/zinc/79/92/83/441799283.db2.gz CTQPOLBTJFLWTO-CQSZACIVSA-N 2 2 340.493 1.372 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000173644810 441813270 /nfs/dbraw/zinc/81/32/70/441813270.db2.gz CVKWBBNJLWPCNO-INIZCTEOSA-N 2 2 333.476 1.700 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000121993341 441824574 /nfs/dbraw/zinc/82/45/74/441824574.db2.gz QWEGEVPISRXVTR-UHFFFAOYSA-N 2 2 349.450 1.885 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000139909928 441829437 /nfs/dbraw/zinc/82/94/37/441829437.db2.gz WVPHAWBKSZCBGV-RDJZCZTQSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000139909928 441829442 /nfs/dbraw/zinc/82/94/42/441829442.db2.gz WVPHAWBKSZCBGV-RDJZCZTQSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000139909928 441829445 /nfs/dbraw/zinc/82/94/45/441829445.db2.gz WVPHAWBKSZCBGV-RDJZCZTQSA-N 2 2 345.443 1.828 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000139909928 441829448 /nfs/dbraw/zinc/82/94/48/441829448.db2.gz WVPHAWBKSZCBGV-RDJZCZTQSA-N 2 2 345.443 1.828 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116565964 441830301 /nfs/dbraw/zinc/83/03/01/441830301.db2.gz OEFCBPNEPZOEQR-OAHLLOKOSA-N 2 2 328.501 1.326 20 0 EDADLP COC(C)(C)C[C@@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000122038463 441831268 /nfs/dbraw/zinc/83/12/68/441831268.db2.gz QNLQTLPUFHDKOJ-MRXNPFEDSA-N 2 2 327.513 1.576 20 0 EDADLP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000122038463 441831272 /nfs/dbraw/zinc/83/12/72/441831272.db2.gz QNLQTLPUFHDKOJ-MRXNPFEDSA-N 2 2 327.513 1.576 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000068742197 441845147 /nfs/dbraw/zinc/84/51/47/441845147.db2.gz BEZHSQLFEVMFGO-INIZCTEOSA-N 2 2 330.432 1.350 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000068742197 441845151 /nfs/dbraw/zinc/84/51/51/441845151.db2.gz BEZHSQLFEVMFGO-INIZCTEOSA-N 2 2 330.432 1.350 20 0 EDADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124430313 441926010 /nfs/dbraw/zinc/92/60/10/441926010.db2.gz ZMSIGSPMYTYNFL-LSDHHAIUSA-N 2 2 335.452 1.610 20 0 EDADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124430313 441926014 /nfs/dbraw/zinc/92/60/14/441926014.db2.gz ZMSIGSPMYTYNFL-LSDHHAIUSA-N 2 2 335.452 1.610 20 0 EDADLP CC[C@@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000124968991 441970714 /nfs/dbraw/zinc/97/07/14/441970714.db2.gz UWKCNCCRCWXWGA-SFHVURJKSA-N 2 2 349.475 1.354 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000174657699 441950429 /nfs/dbraw/zinc/95/04/29/441950429.db2.gz ZZAREQXPIMUQIJ-UHFFFAOYSA-N 2 2 333.480 1.052 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000174657699 441950433 /nfs/dbraw/zinc/95/04/33/441950433.db2.gz ZZAREQXPIMUQIJ-UHFFFAOYSA-N 2 2 333.480 1.052 20 0 EDADLP CCOc1ccccc1NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715322 441957017 /nfs/dbraw/zinc/95/70/17/441957017.db2.gz XZSGTDBIYADDKA-UHFFFAOYSA-N 2 2 348.491 1.593 20 0 EDADLP CCOc1ccccc1NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715322 441957024 /nfs/dbraw/zinc/95/70/24/441957024.db2.gz XZSGTDBIYADDKA-UHFFFAOYSA-N 2 2 348.491 1.593 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000120053836 442000679 /nfs/dbraw/zinc/00/06/79/442000679.db2.gz AAFNPFGVANTWIS-SCTDSRPQSA-N 2 2 344.503 1.703 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000120053836 442000684 /nfs/dbraw/zinc/00/06/84/442000684.db2.gz AAFNPFGVANTWIS-SCTDSRPQSA-N 2 2 344.503 1.703 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)s1 ZINC000175074108 442001329 /nfs/dbraw/zinc/00/13/29/442001329.db2.gz XBERWLXUIMVUHR-INIZCTEOSA-N 2 2 337.489 1.285 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)s1 ZINC000175074108 442001332 /nfs/dbraw/zinc/00/13/32/442001332.db2.gz XBERWLXUIMVUHR-INIZCTEOSA-N 2 2 337.489 1.285 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000161617781 442016229 /nfs/dbraw/zinc/01/62/29/442016229.db2.gz BUNDNZNXQLGSJJ-UHFFFAOYSA-N 2 2 340.512 1.616 20 0 EDADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000125398067 442018110 /nfs/dbraw/zinc/01/81/10/442018110.db2.gz VEWYORQXSJKDND-GJZGRUSLSA-N 2 2 334.439 1.157 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000120230267 442032406 /nfs/dbraw/zinc/03/24/06/442032406.db2.gz FGKBNUIYSKYSFJ-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP CSC[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000125749438 442044304 /nfs/dbraw/zinc/04/43/04/442044304.db2.gz DLWXHZTYTDQPMH-JZWPEALZSA-N 2 2 340.537 1.690 20 0 EDADLP CSC[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000125749438 442044310 /nfs/dbraw/zinc/04/43/10/442044310.db2.gz DLWXHZTYTDQPMH-JZWPEALZSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(=O)NCc1ccco1 ZINC000162019993 442056720 /nfs/dbraw/zinc/05/67/20/442056720.db2.gz HRMILDFKHNQVCM-HNNXBMFYSA-N 2 2 342.443 1.934 20 0 EDADLP CO[C@H](C)c1noc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000162051870 442059899 /nfs/dbraw/zinc/05/98/99/442059899.db2.gz RNHRQGQGVIYABU-CABCVRRESA-N 2 2 337.468 1.379 20 0 EDADLP CO[C@H](C)c1noc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000162051870 442059903 /nfs/dbraw/zinc/05/99/03/442059903.db2.gz RNHRQGQGVIYABU-CABCVRRESA-N 2 2 337.468 1.379 20 0 EDADLP Cc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000162219171 442075923 /nfs/dbraw/zinc/07/59/23/442075923.db2.gz YFIDZIXUEGYLLS-GOSISDBHSA-N 2 2 331.460 1.612 20 0 EDADLP Cc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000162219171 442075928 /nfs/dbraw/zinc/07/59/28/442075928.db2.gz YFIDZIXUEGYLLS-GOSISDBHSA-N 2 2 331.460 1.612 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175585989 442089493 /nfs/dbraw/zinc/08/94/93/442089493.db2.gz MVRGGZNWKFIWQA-UHFFFAOYSA-N 2 2 349.479 1.318 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175585989 442089498 /nfs/dbraw/zinc/08/94/98/442089498.db2.gz MVRGGZNWKFIWQA-UHFFFAOYSA-N 2 2 349.479 1.318 20 0 EDADLP CC[N@H+](C)CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000120732691 442124194 /nfs/dbraw/zinc/12/41/94/442124194.db2.gz XBBUBXPRCVJCRE-UHFFFAOYSA-N 2 2 329.448 1.725 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000120732691 442124197 /nfs/dbraw/zinc/12/41/97/442124197.db2.gz XBBUBXPRCVJCRE-UHFFFAOYSA-N 2 2 329.448 1.725 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000097105295 442169505 /nfs/dbraw/zinc/16/95/05/442169505.db2.gz CUBHQOHQARCWLQ-UHFFFAOYSA-N 2 2 330.476 1.212 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000097105295 442169509 /nfs/dbraw/zinc/16/95/09/442169509.db2.gz CUBHQOHQARCWLQ-UHFFFAOYSA-N 2 2 330.476 1.212 20 0 EDADLP C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000163280781 442155897 /nfs/dbraw/zinc/15/58/97/442155897.db2.gz AJNFGOPRKCCXSK-PMPSAXMXSA-N 2 2 340.493 1.438 20 0 EDADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000163280781 442155903 /nfs/dbraw/zinc/15/59/03/442155903.db2.gz AJNFGOPRKCCXSK-PMPSAXMXSA-N 2 2 340.493 1.438 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)CCCC2)no1 ZINC000166157252 442214482 /nfs/dbraw/zinc/21/44/82/442214482.db2.gz ARSBCPPLEITZMM-UONOGXRCSA-N 2 2 349.479 1.924 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc(OC)c1 ZINC000176700007 442247905 /nfs/dbraw/zinc/24/79/05/442247905.db2.gz RZTFRMZFSIUMNJ-SFHVURJKSA-N 2 2 347.459 1.442 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc(OC)c1 ZINC000176700007 442247908 /nfs/dbraw/zinc/24/79/08/442247908.db2.gz RZTFRMZFSIUMNJ-SFHVURJKSA-N 2 2 347.459 1.442 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CCOC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000153463018 442283932 /nfs/dbraw/zinc/28/39/32/442283932.db2.gz QHBGRLWPQDTLSO-SFHVURJKSA-N 2 2 349.500 1.505 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CCOC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000153463018 442283934 /nfs/dbraw/zinc/28/39/34/442283934.db2.gz QHBGRLWPQDTLSO-SFHVURJKSA-N 2 2 349.500 1.505 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000170953938 442293793 /nfs/dbraw/zinc/29/37/93/442293793.db2.gz MPIBZYVITWLIBG-AWEZNQCLSA-N 2 2 329.448 1.097 20 0 EDADLP COC(=O)[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000177140200 442303843 /nfs/dbraw/zinc/30/38/43/442303843.db2.gz SGXIYKHIIDINAM-LSDHHAIUSA-N 2 2 339.480 1.108 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[N@@H+]1C1CC1 ZINC000177207877 442313291 /nfs/dbraw/zinc/31/32/91/442313291.db2.gz JJXPBCCBJRADMY-WDYCEAGBSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[N@H+]1C1CC1 ZINC000177207877 442313295 /nfs/dbraw/zinc/31/32/95/442313295.db2.gz JJXPBCCBJRADMY-WDYCEAGBSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH+]1C1CC1 ZINC000177207877 442313296 /nfs/dbraw/zinc/31/32/96/442313296.db2.gz JJXPBCCBJRADMY-WDYCEAGBSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH+]1C1CC1 ZINC000177207877 442313300 /nfs/dbraw/zinc/31/33/00/442313300.db2.gz JJXPBCCBJRADMY-WDYCEAGBSA-N 2 2 343.471 1.629 20 0 EDADLP CC(C)CN(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000129486232 442318682 /nfs/dbraw/zinc/31/86/82/442318682.db2.gz YIFBCDCOALZESE-QGZVFWFLSA-N 2 2 325.497 1.534 20 0 EDADLP CC(C)CN(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000129486232 442318685 /nfs/dbraw/zinc/31/86/85/442318685.db2.gz YIFBCDCOALZESE-QGZVFWFLSA-N 2 2 325.497 1.534 20 0 EDADLP C[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H]1n1cc[nH+]c1 ZINC000177810910 442387714 /nfs/dbraw/zinc/38/77/14/442387714.db2.gz RJVFJMVJYHHDQY-JKSUJKDBSA-N 2 2 349.479 1.586 20 0 EDADLP C[C@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H]1n1cc[nH+]c1 ZINC000177810910 442387717 /nfs/dbraw/zinc/38/77/17/442387717.db2.gz RJVFJMVJYHHDQY-JKSUJKDBSA-N 2 2 349.479 1.586 20 0 EDADLP CC(C)[NH2+]C1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171906260 442389503 /nfs/dbraw/zinc/38/95/03/442389503.db2.gz AFKHUMYWNPEHMY-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)[NH2+]C1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171906260 442389506 /nfs/dbraw/zinc/38/95/06/442389506.db2.gz AFKHUMYWNPEHMY-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC000178692179 442457506 /nfs/dbraw/zinc/45/75/06/442457506.db2.gz CYZJAZLXXJRNIM-HNNXBMFYSA-N 2 2 346.475 1.560 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCc4n[nH]cc43)CC2)CC1 ZINC000134074824 442449087 /nfs/dbraw/zinc/44/90/87/442449087.db2.gz IOWDVRFCZONOQW-INIZCTEOSA-N 2 2 345.491 1.504 20 0 EDADLP CC[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134571200 442496818 /nfs/dbraw/zinc/49/68/18/442496818.db2.gz PGPSTKJLINCGAM-PKOBYXMFSA-N 2 2 331.460 1.708 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)[C@@]1(F)CC[NH2+]C1 ZINC000178853158 442504092 /nfs/dbraw/zinc/50/40/92/442504092.db2.gz HIQQQQLGQYAMKZ-GOSISDBHSA-N 2 2 330.407 1.834 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)c3nccs3)cn2)CC1 ZINC000134334573 442471631 /nfs/dbraw/zinc/47/16/31/442471631.db2.gz OTULHUZCIALADG-UHFFFAOYSA-N 2 2 332.477 1.710 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000156418669 442478316 /nfs/dbraw/zinc/47/83/16/442478316.db2.gz XQVLJTYBVKLRKD-CQSZACIVSA-N 2 2 330.407 1.963 20 0 EDADLP CCn1nccc1N1CCC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1=O ZINC000191637488 442480468 /nfs/dbraw/zinc/48/04/68/442480468.db2.gz QDHOIDFIYAPUOO-OAHLLOKOSA-N 2 2 338.415 1.836 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000156928373 442534259 /nfs/dbraw/zinc/53/42/59/442534259.db2.gz SNNDXMJANNYLNQ-NVXWUHKLSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCN2C(=O)CNC2=O)CC[N@H+]1Cc1ccccc1 ZINC000156928373 442534262 /nfs/dbraw/zinc/53/42/62/442534262.db2.gz SNNDXMJANNYLNQ-NVXWUHKLSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1Cc1ccccc1 ZINC000156928373 442534265 /nfs/dbraw/zinc/53/42/65/442534265.db2.gz SNNDXMJANNYLNQ-NVXWUHKLSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2C(=O)CNC2=O)CC[NH+]1Cc1ccccc1 ZINC000156928373 442534268 /nfs/dbraw/zinc/53/42/68/442534268.db2.gz SNNDXMJANNYLNQ-NVXWUHKLSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000180154188 442548022 /nfs/dbraw/zinc/54/80/22/442548022.db2.gz DXJSMBHXJQYCLQ-BHYGNILZSA-N 2 2 333.501 1.985 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000180154188 442548024 /nfs/dbraw/zinc/54/80/24/442548024.db2.gz DXJSMBHXJQYCLQ-BHYGNILZSA-N 2 2 333.501 1.985 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000179103538 442573643 /nfs/dbraw/zinc/57/36/43/442573643.db2.gz WDROOCXPBRFHFN-YOEHRIQHSA-N 2 2 334.439 1.157 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@@H](O)C3(C)C)CC2)CC1 ZINC000186693934 442593759 /nfs/dbraw/zinc/59/37/59/442593759.db2.gz RJEVYSQSUWKQIM-HZPDHXFCSA-N 2 2 338.496 1.004 20 0 EDADLP COCc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000179233035 442602341 /nfs/dbraw/zinc/60/23/41/442602341.db2.gz STQCFMDDAQBGIP-GOSISDBHSA-N 2 2 331.460 1.571 20 0 EDADLP COCc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000179233035 442602346 /nfs/dbraw/zinc/60/23/46/442602346.db2.gz STQCFMDDAQBGIP-GOSISDBHSA-N 2 2 331.460 1.571 20 0 EDADLP CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180469594 442606337 /nfs/dbraw/zinc/60/63/37/442606337.db2.gz KBMJIYPCHAUAIV-CQSZACIVSA-N 2 2 336.461 1.851 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cn1 ZINC000136192605 442654805 /nfs/dbraw/zinc/65/48/05/442654805.db2.gz CXKXDVJWNPBYOO-UHFFFAOYSA-N 2 2 327.432 1.924 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000180496501 442612242 /nfs/dbraw/zinc/61/22/42/442612242.db2.gz ALPKGGSZSXTNSE-DNVCBOLYSA-N 2 2 345.466 1.874 20 0 EDADLP COC(=O)[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800114 442614836 /nfs/dbraw/zinc/61/48/36/442614836.db2.gz RHDNMPFXAPULKC-GASCZTMLSA-N 2 2 326.437 1.147 20 0 EDADLP COC(=O)[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800114 442614841 /nfs/dbraw/zinc/61/48/41/442614841.db2.gz RHDNMPFXAPULKC-GASCZTMLSA-N 2 2 326.437 1.147 20 0 EDADLP COC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800114 442614846 /nfs/dbraw/zinc/61/48/46/442614846.db2.gz RHDNMPFXAPULKC-GASCZTMLSA-N 2 2 326.437 1.147 20 0 EDADLP COC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800114 442614851 /nfs/dbraw/zinc/61/48/51/442614851.db2.gz RHDNMPFXAPULKC-GASCZTMLSA-N 2 2 326.437 1.147 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000179304161 442617391 /nfs/dbraw/zinc/61/73/91/442617391.db2.gz WOAGLQRFMRXOLK-CQSZACIVSA-N 2 2 335.448 1.385 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000179304161 442617395 /nfs/dbraw/zinc/61/73/95/442617395.db2.gz WOAGLQRFMRXOLK-CQSZACIVSA-N 2 2 335.448 1.385 20 0 EDADLP CN(Cc1nccs1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179316356 442619849 /nfs/dbraw/zinc/61/98/49/442619849.db2.gz XWMHSQALEWJNEX-UHFFFAOYSA-N 2 2 325.482 1.311 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000180584557 442627546 /nfs/dbraw/zinc/62/75/46/442627546.db2.gz BMDOKNKHIILIHS-UHFFFAOYSA-N 2 2 336.505 1.828 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@@H+]1CC(C)(C)O ZINC000187395902 442674060 /nfs/dbraw/zinc/67/40/60/442674060.db2.gz QWQZFVSFEKPLGO-AWEZNQCLSA-N 2 2 349.479 1.134 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[N@H+]1CC(C)(C)O ZINC000187395902 442674063 /nfs/dbraw/zinc/67/40/63/442674063.db2.gz QWQZFVSFEKPLGO-AWEZNQCLSA-N 2 2 349.479 1.134 20 0 EDADLP CC(C)[NH+]1CCN(CCC[NH+]2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000192741355 442682545 /nfs/dbraw/zinc/68/25/45/442682545.db2.gz VOXGAMPPMWNKJT-UHFFFAOYSA-N 3 2 340.556 1.181 20 0 EDADLP CC(C)[NH+]1CCN(CCC[NH+]2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000192741355 442682546 /nfs/dbraw/zinc/68/25/46/442682546.db2.gz VOXGAMPPMWNKJT-UHFFFAOYSA-N 3 2 340.556 1.181 20 0 EDADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000192773821 442684993 /nfs/dbraw/zinc/68/49/93/442684993.db2.gz GVQILQORYHMMGL-UHFFFAOYSA-N 2 2 339.484 1.706 20 0 EDADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000192773821 442684994 /nfs/dbraw/zinc/68/49/94/442684994.db2.gz GVQILQORYHMMGL-UHFFFAOYSA-N 2 2 339.484 1.706 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000192916714 442697638 /nfs/dbraw/zinc/69/76/38/442697638.db2.gz UMQNYHIRCVJXDK-UHFFFAOYSA-N 2 2 328.420 1.196 20 0 EDADLP COCc1noc([C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000181937623 442722460 /nfs/dbraw/zinc/72/24/60/442722460.db2.gz SFTDICZZSYITTM-CQSZACIVSA-N 2 2 338.452 1.854 20 0 EDADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000188209354 442724932 /nfs/dbraw/zinc/72/49/32/442724932.db2.gz ZFHQZHIUKPDPLV-NVXWUHKLSA-N 2 2 349.450 1.279 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CCCCO1 ZINC000182221821 442746961 /nfs/dbraw/zinc/74/69/61/442746961.db2.gz HROOBUNHRNBKKF-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CCCCO1 ZINC000182221821 442746963 /nfs/dbraw/zinc/74/69/63/442746963.db2.gz HROOBUNHRNBKKF-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000188417523 442748329 /nfs/dbraw/zinc/74/83/29/442748329.db2.gz IUBQUSCLGHSHSD-QGZVFWFLSA-N 2 2 344.459 1.374 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000188417523 442748332 /nfs/dbraw/zinc/74/83/32/442748332.db2.gz IUBQUSCLGHSHSD-QGZVFWFLSA-N 2 2 344.459 1.374 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267919527 442786871 /nfs/dbraw/zinc/78/68/71/442786871.db2.gz CPZGEBWIKPPHRQ-UHFFFAOYSA-N 2 2 327.432 1.620 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000246527170 442789235 /nfs/dbraw/zinc/78/92/35/442789235.db2.gz XPZGKLPJRMDACX-GVDBMIGSSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000246527170 442789237 /nfs/dbraw/zinc/78/92/37/442789237.db2.gz XPZGKLPJRMDACX-GVDBMIGSSA-N 2 2 340.512 1.611 20 0 EDADLP CCCCCNC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182621025 442796815 /nfs/dbraw/zinc/79/68/15/442796815.db2.gz UVBZKSVPHPKRSL-JWTNVVGKSA-N 2 2 336.524 1.536 20 0 EDADLP CCCCCNC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182621025 442796821 /nfs/dbraw/zinc/79/68/21/442796821.db2.gz UVBZKSVPHPKRSL-JWTNVVGKSA-N 2 2 336.524 1.536 20 0 EDADLP CCCCCNC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182621025 442796827 /nfs/dbraw/zinc/79/68/27/442796827.db2.gz UVBZKSVPHPKRSL-JWTNVVGKSA-N 2 2 336.524 1.536 20 0 EDADLP CCCCCNC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182621025 442796830 /nfs/dbraw/zinc/79/68/30/442796830.db2.gz UVBZKSVPHPKRSL-JWTNVVGKSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1nccn1C ZINC000182662705 442803418 /nfs/dbraw/zinc/80/34/18/442803418.db2.gz FPVHNGRMJRWULO-MRXNPFEDSA-N 2 2 344.459 1.982 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000182373676 442761546 /nfs/dbraw/zinc/76/15/46/442761546.db2.gz DSVAIJRUGUNXSP-KRWDZBQOSA-N 2 2 327.513 1.922 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182373676 442761548 /nfs/dbraw/zinc/76/15/48/442761548.db2.gz DSVAIJRUGUNXSP-KRWDZBQOSA-N 2 2 327.513 1.922 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1 ZINC000182379573 442762125 /nfs/dbraw/zinc/76/21/25/442762125.db2.gz JEZFAIJYRADDSX-UHFFFAOYSA-N 2 2 329.366 1.911 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1 ZINC000182379573 442762128 /nfs/dbraw/zinc/76/21/28/442762128.db2.gz JEZFAIJYRADDSX-UHFFFAOYSA-N 2 2 329.366 1.911 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000182541962 442783663 /nfs/dbraw/zinc/78/36/63/442783663.db2.gz YYPRZPHAWDKTCR-CRAIPNDOSA-N 2 2 349.475 1.592 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000265594061 442837474 /nfs/dbraw/zinc/83/74/74/442837474.db2.gz KVFHHBJBQFMUQC-OAHLLOKOSA-N 2 2 345.447 1.365 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCCn2c(C)[nH+]c3ccccc32)C1 ZINC000265594061 442837479 /nfs/dbraw/zinc/83/74/79/442837479.db2.gz KVFHHBJBQFMUQC-OAHLLOKOSA-N 2 2 345.447 1.365 20 0 EDADLP C[C@@H](C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000194564440 442915323 /nfs/dbraw/zinc/91/53/23/442915323.db2.gz XUSTUYYSIBNDRP-WMZOPIPTSA-N 2 2 331.460 1.313 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000268283409 442931297 /nfs/dbraw/zinc/93/12/97/442931297.db2.gz YMBIXUJEHAPHTG-CRAIPNDOSA-N 2 2 346.475 1.933 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000248867228 442931862 /nfs/dbraw/zinc/93/18/62/442931862.db2.gz BCQADHZTVQAFMX-PMPSAXMXSA-N 2 2 334.526 1.394 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)[C@@H](C)C1 ZINC000248867228 442931868 /nfs/dbraw/zinc/93/18/68/442931868.db2.gz BCQADHZTVQAFMX-PMPSAXMXSA-N 2 2 334.526 1.394 20 0 EDADLP C[C@@H]1COCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248879154 442934031 /nfs/dbraw/zinc/93/40/31/442934031.db2.gz RRGFRYPCPVAYSC-WKUFJEKOSA-N 2 2 335.492 1.428 20 0 EDADLP C[C@@H]1COCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248879154 442934036 /nfs/dbraw/zinc/93/40/36/442934036.db2.gz RRGFRYPCPVAYSC-WKUFJEKOSA-N 2 2 335.492 1.428 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(-n2cccn2)c1 ZINC000183569932 442942217 /nfs/dbraw/zinc/94/22/17/442942217.db2.gz AGPXLYUZHLVOLV-HNNXBMFYSA-N 2 2 327.432 1.297 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000189528149 442973750 /nfs/dbraw/zinc/97/37/50/442973750.db2.gz OXFJRNJMLXGRLU-UHFFFAOYSA-N 2 2 345.491 1.146 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000249808835 443006084 /nfs/dbraw/zinc/00/60/84/443006084.db2.gz XTOJUCFYYJWVLT-NUJGCVRESA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC[C@H]2CCCCO2)CC1 ZINC000184302871 443009758 /nfs/dbraw/zinc/00/97/58/443009758.db2.gz QLIHTMHVKLPMIU-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000249722477 443000464 /nfs/dbraw/zinc/00/04/64/443000464.db2.gz AAFNPFGVANTWIS-ZIFCJYIRSA-N 2 2 344.503 1.703 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000249722477 443000469 /nfs/dbraw/zinc/00/04/69/443000469.db2.gz AAFNPFGVANTWIS-ZIFCJYIRSA-N 2 2 344.503 1.703 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(CO)o3)cc2)CC1 ZINC000266229329 443065943 /nfs/dbraw/zinc/06/59/43/443065943.db2.gz UEXYJPOUSRUWHM-UHFFFAOYSA-N 2 2 343.427 1.449 20 0 EDADLP CC1CC[NH+](CC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000268654877 443066348 /nfs/dbraw/zinc/06/63/48/443066348.db2.gz SKUNZMNLRREYPO-UHFFFAOYSA-N 2 2 332.448 1.266 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266237601 443069483 /nfs/dbraw/zinc/06/94/83/443069483.db2.gz OYAIMFCSPIBASH-HNNXBMFYSA-N 2 2 328.416 1.058 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000268875131 443134240 /nfs/dbraw/zinc/13/42/40/443134240.db2.gz GWYVACXABGNHPW-PBHICJAKSA-N 2 2 332.448 1.540 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCOC2=O)cc1 ZINC000268875131 443134244 /nfs/dbraw/zinc/13/42/44/443134244.db2.gz GWYVACXABGNHPW-PBHICJAKSA-N 2 2 332.448 1.540 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCSC[C@H](C)C1 ZINC000190422842 443105064 /nfs/dbraw/zinc/10/50/64/443105064.db2.gz WMQFZNBZDVHTFD-CVEARBPZSA-N 2 2 348.516 1.804 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCSC[C@H](C)C1 ZINC000190422842 443105067 /nfs/dbraw/zinc/10/50/67/443105067.db2.gz WMQFZNBZDVHTFD-CVEARBPZSA-N 2 2 348.516 1.804 20 0 EDADLP COCC[N@H+](C)CCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255895828 443112927 /nfs/dbraw/zinc/11/29/27/443112927.db2.gz GLHPPRXXXHXHFS-YVMONPNESA-N 2 2 328.416 1.580 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000255895828 443112931 /nfs/dbraw/zinc/11/29/31/443112931.db2.gz GLHPPRXXXHXHFS-YVMONPNESA-N 2 2 328.416 1.580 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)on2)cn1 ZINC000185003345 443115235 /nfs/dbraw/zinc/11/52/35/443115235.db2.gz IDYCMQVGOWBPIH-HNNXBMFYSA-N 2 2 345.447 1.619 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)on2)cn1 ZINC000185003345 443115237 /nfs/dbraw/zinc/11/52/37/443115237.db2.gz IDYCMQVGOWBPIH-HNNXBMFYSA-N 2 2 345.447 1.619 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)nc1 ZINC000262085300 443183487 /nfs/dbraw/zinc/18/34/87/443183487.db2.gz UGFPCDHCRATZLO-SFHVURJKSA-N 2 2 332.448 1.380 20 0 EDADLP C[C@H]1OCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000268951452 443157362 /nfs/dbraw/zinc/15/73/62/443157362.db2.gz CLIYYLDELLXJPM-DLBZAZTESA-N 2 2 331.460 1.440 20 0 EDADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262992804 443222225 /nfs/dbraw/zinc/22/22/25/443222225.db2.gz NZAOTJOJTXQUFZ-OAHLLOKOSA-N 2 2 339.386 1.132 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262991589 443222287 /nfs/dbraw/zinc/22/22/87/443222287.db2.gz NVCKWCYDUGNAMJ-AWEZNQCLSA-N 2 2 325.359 1.455 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245548033 443235819 /nfs/dbraw/zinc/23/58/19/443235819.db2.gz NQTYCEWPWSKTND-HOTGVXAUSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245548033 443235821 /nfs/dbraw/zinc/23/58/21/443235821.db2.gz NQTYCEWPWSKTND-HOTGVXAUSA-N 2 2 329.448 1.540 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@@H]3C[NH2+]CCO3)n2)C1 ZINC000262637251 443205410 /nfs/dbraw/zinc/20/54/10/443205410.db2.gz IFFVCDXFYICLDL-TZMCWYRMSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@@H]3C[NH2+]CCO3)n2)C1 ZINC000262637251 443205414 /nfs/dbraw/zinc/20/54/14/443205414.db2.gz IFFVCDXFYICLDL-TZMCWYRMSA-N 2 2 338.477 1.692 20 0 EDADLP CCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000266709266 443215624 /nfs/dbraw/zinc/21/56/24/443215624.db2.gz DBTBHIKYVWQTEI-UHFFFAOYSA-N 2 2 345.487 1.568 20 0 EDADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652106 319112266 /nfs/dbraw/zinc/11/22/66/319112266.db2.gz UJVAYOYILVLVNY-JKSUJKDBSA-N 2 2 345.487 1.741 20 0 EDADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652106 319112267 /nfs/dbraw/zinc/11/22/67/319112267.db2.gz UJVAYOYILVLVNY-JKSUJKDBSA-N 2 2 345.487 1.741 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)N2CC[NH+](CC3CC3)CC2)CCOc2ccccc21 ZINC000359910758 319114507 /nfs/dbraw/zinc/11/45/07/319114507.db2.gz RYKLHIWQLJLOPX-FQEVSTJZSA-N 2 2 343.471 1.780 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2cccc(N3CCOCC3)n2)CC1 ZINC000360010349 319115807 /nfs/dbraw/zinc/11/58/07/319115807.db2.gz GHFZIPRIBLRIEW-UHFFFAOYSA-N 2 2 334.464 1.119 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000411247069 319174673 /nfs/dbraw/zinc/17/46/73/319174673.db2.gz TYQLZAYMGFJVIW-AWEZNQCLSA-N 2 2 348.447 1.124 20 0 EDADLP COCC[N@H+]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000411247069 319174675 /nfs/dbraw/zinc/17/46/75/319174675.db2.gz TYQLZAYMGFJVIW-AWEZNQCLSA-N 2 2 348.447 1.124 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000413536343 319274707 /nfs/dbraw/zinc/27/47/07/319274707.db2.gz VIAKXCKHWBSDFS-HOTGVXAUSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000413536343 319274709 /nfs/dbraw/zinc/27/47/09/319274709.db2.gz VIAKXCKHWBSDFS-HOTGVXAUSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414375487 319324912 /nfs/dbraw/zinc/32/49/12/319324912.db2.gz FLXIQEBLBFQFRX-HZMBPMFUSA-N 2 2 343.880 1.560 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414375487 319324914 /nfs/dbraw/zinc/32/49/14/319324914.db2.gz FLXIQEBLBFQFRX-HZMBPMFUSA-N 2 2 343.880 1.560 20 0 EDADLP O=C(CC1CC[NH2+]CC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000269269208 443259544 /nfs/dbraw/zinc/25/95/44/443259544.db2.gz REZINJFFJKAENW-IBGZPJMESA-N 2 2 345.487 1.436 20 0 EDADLP C[C@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000266863704 443271063 /nfs/dbraw/zinc/27/10/63/443271063.db2.gz BKVFGPYYUSRWEQ-YJBOKZPZSA-N 2 2 331.460 1.541 20 0 EDADLP CN1CC[N@H+](CCCNC(=O)[C@@H]2CSC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000269299466 443273108 /nfs/dbraw/zinc/27/31/08/443273108.db2.gz PRAOHVACOOLQKH-IRXDYDNUSA-N 2 2 348.516 1.144 20 0 EDADLP CN1CC[N@@H+](CCCNC(=O)[C@@H]2CSC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000269299466 443273112 /nfs/dbraw/zinc/27/31/12/443273112.db2.gz PRAOHVACOOLQKH-IRXDYDNUSA-N 2 2 348.516 1.144 20 0 EDADLP C[N@@H+]1CCN(CCCNC(=O)[C@@H]2CSC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000269299466 443273116 /nfs/dbraw/zinc/27/31/16/443273116.db2.gz PRAOHVACOOLQKH-IRXDYDNUSA-N 2 2 348.516 1.144 20 0 EDADLP C[N@H+]1CCN(CCCNC(=O)[C@@H]2CSC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000269299466 443273119 /nfs/dbraw/zinc/27/31/19/443273119.db2.gz PRAOHVACOOLQKH-IRXDYDNUSA-N 2 2 348.516 1.144 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000266837726 443261961 /nfs/dbraw/zinc/26/19/61/443261961.db2.gz MLQXAHKTMATUSN-ZWKOTPCHSA-N 2 2 346.519 1.507 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000266837726 443261965 /nfs/dbraw/zinc/26/19/65/443261965.db2.gz MLQXAHKTMATUSN-ZWKOTPCHSA-N 2 2 346.519 1.507 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC1 ZINC000264475592 443305198 /nfs/dbraw/zinc/30/51/98/443305198.db2.gz YUAKTWZHVQODLC-KRWDZBQOSA-N 2 2 333.432 1.178 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC1 ZINC000264475592 443305202 /nfs/dbraw/zinc/30/52/02/443305202.db2.gz YUAKTWZHVQODLC-KRWDZBQOSA-N 2 2 333.432 1.178 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C[C@@H]1[NH3+] ZINC000416917843 319474064 /nfs/dbraw/zinc/47/40/64/319474064.db2.gz ROUYFPPQNOTEBW-UGFHNGPFSA-N 2 2 331.395 1.637 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCCCC1 ZINC000416931647 319477742 /nfs/dbraw/zinc/47/77/42/319477742.db2.gz NPGLECFXIGLHNF-UHFFFAOYSA-N 2 2 347.463 1.379 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416936394 319478740 /nfs/dbraw/zinc/47/87/40/319478740.db2.gz YBICFVPDLOWKEJ-GOEBONIOSA-N 2 2 347.463 1.330 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000416955224 319484840 /nfs/dbraw/zinc/48/48/40/319484840.db2.gz LYCQGEHKKFINKK-HNNXBMFYSA-N 2 2 327.432 1.477 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCC(=O)N[C@@H]3C)c2cc1C ZINC000282455722 443344343 /nfs/dbraw/zinc/34/43/43/443344343.db2.gz STNYGTWYQYXXBD-KFWWJZLASA-N 2 2 330.432 1.271 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000417515043 319496894 /nfs/dbraw/zinc/49/68/94/319496894.db2.gz CIQINYKSWHOPNC-LZWOXQAQSA-N 2 2 326.485 1.302 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266938008 443295933 /nfs/dbraw/zinc/29/59/33/443295933.db2.gz QLXOJJVMLFFECO-OAHLLOKOSA-N 2 2 328.416 1.914 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266938008 443295935 /nfs/dbraw/zinc/29/59/35/443295935.db2.gz QLXOJJVMLFFECO-OAHLLOKOSA-N 2 2 328.416 1.914 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264455362 443298145 /nfs/dbraw/zinc/29/81/45/443298145.db2.gz QTQZGYKNYTXLHS-MRXNPFEDSA-N 2 2 341.459 1.297 20 0 EDADLP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000272591320 443375110 /nfs/dbraw/zinc/37/51/10/443375110.db2.gz PONMNBAZIPTXPZ-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000272591320 443375112 /nfs/dbraw/zinc/37/51/12/443375112.db2.gz PONMNBAZIPTXPZ-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000278624523 443382080 /nfs/dbraw/zinc/38/20/80/443382080.db2.gz KUJCBWFMJMQUCH-MRXNPFEDSA-N 2 2 347.459 1.728 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264727092 443393309 /nfs/dbraw/zinc/39/33/09/443393309.db2.gz ILUXCWJHWOGEGB-SFHVURJKSA-N 2 2 341.459 1.367 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cn4cccnc4n3)CC2)CC1 ZINC000269633393 443371801 /nfs/dbraw/zinc/37/18/01/443371801.db2.gz IEIRQNCNRSOSNV-UHFFFAOYSA-N 2 2 342.491 1.720 20 0 EDADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]([NH3+])CC(N)=O)c1 ZINC000269723009 443411440 /nfs/dbraw/zinc/41/14/40/443411440.db2.gz QOCCZAZXRMFJBZ-AWEZNQCLSA-N 2 2 329.404 1.196 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)NCCNc2cccc[nH+]2)ccn1 ZINC000272721270 443421504 /nfs/dbraw/zinc/42/15/04/443421504.db2.gz XICDALPMEYEHNL-UHFFFAOYSA-N 2 2 329.404 1.259 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)[nH]1 ZINC000272792316 443446734 /nfs/dbraw/zinc/44/67/34/443446734.db2.gz XYEVPSIPRFCBTF-UHFFFAOYSA-N 2 2 330.388 1.527 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)n1 ZINC000267421282 443451678 /nfs/dbraw/zinc/45/16/78/443451678.db2.gz KMQVHPFEKNWZPO-KBPBESRZSA-N 2 2 328.420 1.518 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)C2=O)n1 ZINC000267421282 443451681 /nfs/dbraw/zinc/45/16/81/443451681.db2.gz KMQVHPFEKNWZPO-KBPBESRZSA-N 2 2 328.420 1.518 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@H]1CCC[NH2+]1 ZINC000422732005 319734759 /nfs/dbraw/zinc/73/47/59/319734759.db2.gz NAHUVKKLMFTVDQ-RHSMWYFYSA-N 2 2 327.432 1.752 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@H]1[NH+]1CCOCC1 ZINC000267627467 443519142 /nfs/dbraw/zinc/51/91/42/443519142.db2.gz POSSVLHLEYTSOB-GOEBONIOSA-N 2 2 347.463 1.010 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1=CC[N@H+](C)CC1 ZINC000273030763 443524007 /nfs/dbraw/zinc/52/40/07/443524007.db2.gz UXFNHOVYNHQQQM-INIZCTEOSA-N 2 2 343.475 1.559 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000273030763 443524009 /nfs/dbraw/zinc/52/40/09/443524009.db2.gz UXFNHOVYNHQQQM-INIZCTEOSA-N 2 2 343.475 1.559 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C12CCC[NH+]1CCC2 ZINC000279207872 443536404 /nfs/dbraw/zinc/53/64/04/443536404.db2.gz NLQYSRVFCWYMKJ-GOSISDBHSA-N 2 2 343.471 1.632 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C12CCC[NH+]1CCC2 ZINC000279207872 443536408 /nfs/dbraw/zinc/53/64/08/443536408.db2.gz NLQYSRVFCWYMKJ-GOSISDBHSA-N 2 2 343.471 1.632 20 0 EDADLP CC(C)n1cncc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000425340435 319832381 /nfs/dbraw/zinc/83/23/81/319832381.db2.gz VRDLFCQBGWGGEU-UHFFFAOYSA-N 2 2 347.507 1.840 20 0 EDADLP c1ccc(-n2nnnc2CC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000430549675 319933011 /nfs/dbraw/zinc/93/30/11/319933011.db2.gz IYFKZKDDHBKZJI-UHFFFAOYSA-N 2 2 326.448 1.669 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000265298903 443599071 /nfs/dbraw/zinc/59/90/71/443599071.db2.gz OHTKGZNIYMADKD-MRXNPFEDSA-N 2 2 342.443 1.724 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000265298903 443599074 /nfs/dbraw/zinc/59/90/74/443599074.db2.gz OHTKGZNIYMADKD-MRXNPFEDSA-N 2 2 342.443 1.724 20 0 EDADLP Cn1nccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286141475 443655308 /nfs/dbraw/zinc/65/53/08/443655308.db2.gz VOZXQFLTNRSUPE-HXUWFJFHSA-N 2 2 339.487 1.812 20 0 EDADLP Cn1nccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286141475 443655310 /nfs/dbraw/zinc/65/53/10/443655310.db2.gz VOZXQFLTNRSUPE-HXUWFJFHSA-N 2 2 339.487 1.812 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441036587 320086471 /nfs/dbraw/zinc/08/64/71/320086471.db2.gz SLVBHXPOYMEFAR-DLBZAZTESA-N 2 2 338.540 1.780 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCC[C@H]1C ZINC000449228400 320180186 /nfs/dbraw/zinc/18/01/86/320180186.db2.gz YSIXPVWZOOFLFK-TVFCKZIOSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449390404 320187807 /nfs/dbraw/zinc/18/78/07/320187807.db2.gz VXVHXXLQRVZUDG-TZMCWYRMSA-N 2 2 345.285 1.471 20 0 EDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449390404 320187808 /nfs/dbraw/zinc/18/78/08/320187808.db2.gz VXVHXXLQRVZUDG-TZMCWYRMSA-N 2 2 345.285 1.471 20 0 EDADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000449394230 320187911 /nfs/dbraw/zinc/18/79/11/320187911.db2.gz FNCCHKFDTHYRGN-QGZVFWFLSA-N 2 2 339.524 1.850 20 0 EDADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000449394230 320187913 /nfs/dbraw/zinc/18/79/13/320187913.db2.gz FNCCHKFDTHYRGN-QGZVFWFLSA-N 2 2 339.524 1.850 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000449395029 320188281 /nfs/dbraw/zinc/18/82/81/320188281.db2.gz PCFWPBUSMVRRJZ-IBGZPJMESA-N 2 2 332.492 1.482 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000449395029 320188284 /nfs/dbraw/zinc/18/82/84/320188284.db2.gz PCFWPBUSMVRRJZ-IBGZPJMESA-N 2 2 332.492 1.482 20 0 EDADLP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449396570 320188604 /nfs/dbraw/zinc/18/86/04/320188604.db2.gz SGIWKLQGLRKPSI-OAHLLOKOSA-N 2 2 338.448 1.649 20 0 EDADLP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449396570 320188607 /nfs/dbraw/zinc/18/86/07/320188607.db2.gz SGIWKLQGLRKPSI-OAHLLOKOSA-N 2 2 338.448 1.649 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000450211600 320213438 /nfs/dbraw/zinc/21/34/38/320213438.db2.gz AUKNBHHYDGYCKC-FUHWJXTLSA-N 2 2 336.524 1.534 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000450211600 320213440 /nfs/dbraw/zinc/21/34/40/320213440.db2.gz AUKNBHHYDGYCKC-FUHWJXTLSA-N 2 2 336.524 1.534 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(-n2ccnn2)c1 ZINC000453264290 320261444 /nfs/dbraw/zinc/26/14/44/320261444.db2.gz MMMYMMJXLICYBR-CRAIPNDOSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(-n2ccnn2)c1 ZINC000453264290 320261445 /nfs/dbraw/zinc/26/14/45/320261445.db2.gz MMMYMMJXLICYBR-CRAIPNDOSA-N 2 2 329.448 1.765 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000492862007 320389329 /nfs/dbraw/zinc/38/93/29/320389329.db2.gz KLBIAPXEBVEQNT-TUYSUELWSA-N 2 2 326.400 1.301 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC[N@H+](Cc3cscn3)CC2)nc[nH+]1 ZINC000298249830 443729566 /nfs/dbraw/zinc/72/95/66/443729566.db2.gz MYEKGNIJCIXAJB-CYBMUJFWSA-N 2 2 348.476 1.438 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)nc[nH+]1 ZINC000298249830 443729570 /nfs/dbraw/zinc/72/95/70/443729570.db2.gz MYEKGNIJCIXAJB-CYBMUJFWSA-N 2 2 348.476 1.438 20 0 EDADLP CC[C@H]1CO[C@H](C)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298268914 443734321 /nfs/dbraw/zinc/73/43/21/443734321.db2.gz GDYRWTLCXDFBQM-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298547742 443796437 /nfs/dbraw/zinc/79/64/37/443796437.db2.gz XMRLNVBRJAIJQP-MRXNPFEDSA-N 2 2 327.432 1.977 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298547742 443796440 /nfs/dbraw/zinc/79/64/40/443796440.db2.gz XMRLNVBRJAIJQP-MRXNPFEDSA-N 2 2 327.432 1.977 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276570608 443750114 /nfs/dbraw/zinc/75/01/14/443750114.db2.gz SZJPLACYXOBKLM-GJZGRUSLSA-N 2 2 334.468 1.033 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276570608 443750117 /nfs/dbraw/zinc/75/01/17/443750117.db2.gz SZJPLACYXOBKLM-GJZGRUSLSA-N 2 2 334.468 1.033 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000283873259 443751167 /nfs/dbraw/zinc/75/11/67/443751167.db2.gz GVBDUAZZYVPCEK-ZWKOTPCHSA-N 2 2 346.475 1.363 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000283873259 443751170 /nfs/dbraw/zinc/75/11/70/443751170.db2.gz GVBDUAZZYVPCEK-ZWKOTPCHSA-N 2 2 346.475 1.363 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000292103829 443776704 /nfs/dbraw/zinc/77/67/04/443776704.db2.gz VQNODZUFBPNYKG-PBHICJAKSA-N 2 2 327.432 1.882 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276789771 443827891 /nfs/dbraw/zinc/82/78/91/443827891.db2.gz OTCFZTPTKIIOFY-UHFFFAOYSA-N 2 2 334.420 1.267 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNc2[nH+]cnc3c2cnn3C)CCC[N@@H+]1C ZINC000284975978 443805173 /nfs/dbraw/zinc/80/51/73/443805173.db2.gz SDEPGADQEGEKJB-SWLSCSKDSA-N 2 2 340.435 1.592 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNc2[nH+]cnc3c2cnn3C)CCC[N@H+]1C ZINC000284975978 443805175 /nfs/dbraw/zinc/80/51/75/443805175.db2.gz SDEPGADQEGEKJB-SWLSCSKDSA-N 2 2 340.435 1.592 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000288337098 443848906 /nfs/dbraw/zinc/84/89/06/443848906.db2.gz YLNVDFPRNYSBOZ-TZMCWYRMSA-N 2 2 332.404 1.114 20 0 EDADLP O=C(NCCc1[nH]cc[nH+]1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000531293686 320654376 /nfs/dbraw/zinc/65/43/76/320654376.db2.gz BCVYMUINJDCHBU-UHFFFAOYSA-N 2 2 330.457 1.931 20 0 EDADLP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cn1 ZINC000276966398 443881544 /nfs/dbraw/zinc/88/15/44/443881544.db2.gz NQUZMAGVJFGGLA-UHFFFAOYSA-N 2 2 347.507 1.568 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCc2nccs2)CC1 ZINC000292931051 443882215 /nfs/dbraw/zinc/88/22/15/443882215.db2.gz KKLNVATYDQMJIA-UHFFFAOYSA-N 2 2 339.509 1.401 20 0 EDADLP C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000276981406 443884178 /nfs/dbraw/zinc/88/41/78/443884178.db2.gz AELBKPMAAJIVGD-IRXDYDNUSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000276981400 443884229 /nfs/dbraw/zinc/88/42/29/443884229.db2.gz AELBKPMAAJIVGD-IAGOWNOFSA-N 2 2 345.487 1.565 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292942915 443884938 /nfs/dbraw/zinc/88/49/38/443884938.db2.gz JZDHTYCHCJMFTF-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292942915 443884941 /nfs/dbraw/zinc/88/49/41/443884941.db2.gz JZDHTYCHCJMFTF-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292942915 443884943 /nfs/dbraw/zinc/88/49/43/443884943.db2.gz JZDHTYCHCJMFTF-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292942915 443884946 /nfs/dbraw/zinc/88/49/46/443884946.db2.gz JZDHTYCHCJMFTF-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000281346744 443886293 /nfs/dbraw/zinc/88/62/93/443886293.db2.gz VBTXOCCISLIOND-CVEARBPZSA-N 2 2 335.423 1.751 20 0 EDADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000281346744 443886294 /nfs/dbraw/zinc/88/62/94/443886294.db2.gz VBTXOCCISLIOND-CVEARBPZSA-N 2 2 335.423 1.751 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285378111 443961198 /nfs/dbraw/zinc/96/11/98/443961198.db2.gz RKVOYVPXSWURDH-RBUKOAKNSA-N 2 2 333.476 1.280 20 0 EDADLP CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000285573100 444033892 /nfs/dbraw/zinc/03/38/92/444033892.db2.gz KMEHIFDJZAKDQB-QGZVFWFLSA-N 2 2 348.472 1.728 20 0 EDADLP CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000285573100 444033895 /nfs/dbraw/zinc/03/38/95/444033895.db2.gz KMEHIFDJZAKDQB-QGZVFWFLSA-N 2 2 348.472 1.728 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299398264 444037481 /nfs/dbraw/zinc/03/74/81/444037481.db2.gz UQLXKLMTUIJZEX-CQSZACIVSA-N 2 2 343.431 1.367 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299398264 444037484 /nfs/dbraw/zinc/03/74/84/444037484.db2.gz UQLXKLMTUIJZEX-CQSZACIVSA-N 2 2 343.431 1.367 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285602142 444044293 /nfs/dbraw/zinc/04/42/93/444044293.db2.gz JVTROYUXLJUDIW-CYBMUJFWSA-N 2 2 336.436 1.410 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285602142 444044296 /nfs/dbraw/zinc/04/42/96/444044296.db2.gz JVTROYUXLJUDIW-CYBMUJFWSA-N 2 2 336.436 1.410 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285602142 444044301 /nfs/dbraw/zinc/04/43/01/444044301.db2.gz JVTROYUXLJUDIW-CYBMUJFWSA-N 2 2 336.436 1.410 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285602142 444044305 /nfs/dbraw/zinc/04/43/05/444044305.db2.gz JVTROYUXLJUDIW-CYBMUJFWSA-N 2 2 336.436 1.410 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000551482507 320915610 /nfs/dbraw/zinc/91/56/10/320915610.db2.gz HFYANMZBMULTIS-UHFFFAOYSA-N 2 2 338.371 1.122 20 0 EDADLP O=C(CN1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000299306958 444012794 /nfs/dbraw/zinc/01/27/94/444012794.db2.gz CYIIPFRHNSRPQW-UHFFFAOYSA-N 2 2 348.516 1.172 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)[nH+]c1 ZINC000285564863 444030886 /nfs/dbraw/zinc/03/08/86/444030886.db2.gz VSGCEHXZDSNCJA-JKSUJKDBSA-N 2 2 347.463 1.307 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)[nH+]c1 ZINC000285564863 444030889 /nfs/dbraw/zinc/03/08/89/444030889.db2.gz VSGCEHXZDSNCJA-JKSUJKDBSA-N 2 2 347.463 1.307 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299544901 444075031 /nfs/dbraw/zinc/07/50/31/444075031.db2.gz BVJMBYCUOOZONP-QGZVFWFLSA-N 2 2 328.416 1.290 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299544901 444075035 /nfs/dbraw/zinc/07/50/35/444075035.db2.gz BVJMBYCUOOZONP-QGZVFWFLSA-N 2 2 328.416 1.290 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289228820 444081627 /nfs/dbraw/zinc/08/16/27/444081627.db2.gz CWXQFDHUBAGHKD-QAPCUYQASA-N 2 2 330.432 1.775 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289228820 444081631 /nfs/dbraw/zinc/08/16/31/444081631.db2.gz CWXQFDHUBAGHKD-QAPCUYQASA-N 2 2 330.432 1.775 20 0 EDADLP Cn1ncc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000293657051 444082488 /nfs/dbraw/zinc/08/24/88/444082488.db2.gz SXFHOJWBCXNHFU-UHFFFAOYSA-N 2 2 342.491 1.503 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[NH+]2CCOCC2)c1 ZINC000299475791 444056597 /nfs/dbraw/zinc/05/65/97/444056597.db2.gz BMJQHWYQQNBMAE-ROUUACIJSA-N 2 2 331.460 1.579 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[NH+]2CCOCC2)c1 ZINC000299475791 444056600 /nfs/dbraw/zinc/05/66/00/444056600.db2.gz BMJQHWYQQNBMAE-ROUUACIJSA-N 2 2 331.460 1.579 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000561214893 321036364 /nfs/dbraw/zinc/03/63/64/321036364.db2.gz DYTFBIPDXUYSNN-MSOLQXFVSA-N 3 2 341.459 1.124 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000561214893 321036366 /nfs/dbraw/zinc/03/63/66/321036366.db2.gz DYTFBIPDXUYSNN-MSOLQXFVSA-N 3 2 341.459 1.124 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+]CCCc3[nH]c4ccccc4[nH+]3)CC2)N1 ZINC000561340508 321039908 /nfs/dbraw/zinc/03/99/08/321039908.db2.gz LZVQCUIEMZSSNT-UHFFFAOYSA-N 2 2 341.415 1.606 20 0 EDADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCc3c1cnn3-c1ncccn1)CC2 ZINC000562365026 321053891 /nfs/dbraw/zinc/05/38/91/321053891.db2.gz GNMVOWMWIQYILA-DZGCQCFKSA-N 2 2 335.415 1.841 20 0 EDADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(O[C@H]2CCOC2)c1 ZINC000562990542 321085943 /nfs/dbraw/zinc/08/59/43/321085943.db2.gz HMRCCQCMXLQWRW-MSOLQXFVSA-N 2 2 334.460 1.707 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000562992225 321086449 /nfs/dbraw/zinc/08/64/49/321086449.db2.gz SYGSQTPENFAKNY-ZTFGCOKTSA-N 2 2 334.460 1.645 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000562992225 321086451 /nfs/dbraw/zinc/08/64/51/321086451.db2.gz SYGSQTPENFAKNY-ZTFGCOKTSA-N 2 2 334.460 1.645 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)C2)CC1 ZINC000563073811 321093641 /nfs/dbraw/zinc/09/36/41/321093641.db2.gz PTIGLEBNFFXETH-AEFFLSMTSA-N 2 2 336.524 1.251 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563149507 321099667 /nfs/dbraw/zinc/09/96/67/321099667.db2.gz JALWGZIPIAGPDI-SFHVURJKSA-N 2 2 330.432 1.659 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563149507 321099669 /nfs/dbraw/zinc/09/96/69/321099669.db2.gz JALWGZIPIAGPDI-SFHVURJKSA-N 2 2 330.432 1.659 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000563405801 321109358 /nfs/dbraw/zinc/10/93/58/321109358.db2.gz GKEYQGGKQWYFBL-UHFFFAOYSA-N 2 2 333.476 1.631 20 0 EDADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565167420 321171762 /nfs/dbraw/zinc/17/17/62/321171762.db2.gz XQFHEILQDYMEPV-CQSZACIVSA-N 2 2 343.431 1.876 20 0 EDADLP C[C@@H](C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[NH+]1CC(C)C1 ZINC000565178600 321173389 /nfs/dbraw/zinc/17/33/89/321173389.db2.gz BUCXOBRBJKZOBH-PKOBYXMFSA-N 2 2 344.503 1.432 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)n1C ZINC000565236643 321177918 /nfs/dbraw/zinc/17/79/18/321177918.db2.gz CRQVNAOQKWBFEU-UHFFFAOYSA-N 2 2 328.416 1.491 20 0 EDADLP CN(C)C(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000565414920 321185627 /nfs/dbraw/zinc/18/56/27/321185627.db2.gz JQBLIEKXFGESAL-UHFFFAOYSA-N 2 2 346.475 1.318 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3c(C4CC4)nc4sccn34)CCN2C1=O ZINC000565608566 321193911 /nfs/dbraw/zinc/19/39/11/321193911.db2.gz HVNSNSUAOKPZHD-RYUDHWBXSA-N 2 2 331.445 1.017 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)CCN2C1=O ZINC000565608566 321193912 /nfs/dbraw/zinc/19/39/12/321193912.db2.gz HVNSNSUAOKPZHD-RYUDHWBXSA-N 2 2 331.445 1.017 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000566108428 321215864 /nfs/dbraw/zinc/21/58/64/321215864.db2.gz ZRCSPKCMLCBQTM-ZWKOTPCHSA-N 2 2 336.476 1.744 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000566108428 321215865 /nfs/dbraw/zinc/21/58/65/321215865.db2.gz ZRCSPKCMLCBQTM-ZWKOTPCHSA-N 2 2 336.476 1.744 20 0 EDADLP C[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000566304441 321226077 /nfs/dbraw/zinc/22/60/77/321226077.db2.gz ZENRJROLESZHGX-JTQLQIEISA-N 2 2 341.253 1.842 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484680 321244117 /nfs/dbraw/zinc/24/41/17/321244117.db2.gz WUJIHKYQQSTJMR-KBPBESRZSA-N 2 2 338.414 1.980 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484680 321244119 /nfs/dbraw/zinc/24/41/19/321244119.db2.gz WUJIHKYQQSTJMR-KBPBESRZSA-N 2 2 338.414 1.980 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484680 321244121 /nfs/dbraw/zinc/24/41/21/321244121.db2.gz WUJIHKYQQSTJMR-KBPBESRZSA-N 2 2 338.414 1.980 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000567484680 321244123 /nfs/dbraw/zinc/24/41/23/321244123.db2.gz WUJIHKYQQSTJMR-KBPBESRZSA-N 2 2 338.414 1.980 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)[NH+]1CC(C)C1 ZINC000567625655 321249396 /nfs/dbraw/zinc/24/93/96/321249396.db2.gz UNPZCXXKOMVNPQ-ZBFHGGJFSA-N 2 2 331.464 1.501 20 0 EDADLP Cc1ccc(NC(=O)[C@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)nc1 ZINC000289299513 444100394 /nfs/dbraw/zinc/10/03/94/444100394.db2.gz CKPWFWAOEOIICH-RDJZCZTQSA-N 2 2 346.475 1.496 20 0 EDADLP Cc1ccc(NC(=O)[C@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)nc1 ZINC000289299513 444100400 /nfs/dbraw/zinc/10/04/00/444100400.db2.gz CKPWFWAOEOIICH-RDJZCZTQSA-N 2 2 346.475 1.496 20 0 EDADLP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)nc1 ZINC000289299513 444100404 /nfs/dbraw/zinc/10/04/04/444100404.db2.gz CKPWFWAOEOIICH-RDJZCZTQSA-N 2 2 346.475 1.496 20 0 EDADLP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)nc1 ZINC000289299513 444100410 /nfs/dbraw/zinc/10/04/10/444100410.db2.gz CKPWFWAOEOIICH-RDJZCZTQSA-N 2 2 346.475 1.496 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000568765044 321305542 /nfs/dbraw/zinc/30/55/42/321305542.db2.gz PSGMIXJWTYGYBU-HUUCEWRRSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000568765044 321305543 /nfs/dbraw/zinc/30/55/43/321305543.db2.gz PSGMIXJWTYGYBU-HUUCEWRRSA-N 2 2 334.464 1.738 20 0 EDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnn(C)n2)CC1 ZINC000289302523 444101494 /nfs/dbraw/zinc/10/14/94/444101494.db2.gz CWLXLYXYVQOBPJ-AWEZNQCLSA-N 2 2 346.454 1.947 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472528 321326654 /nfs/dbraw/zinc/32/66/54/321326654.db2.gz ASDMJMDIONMKDS-YVWKXTFCSA-N 3 2 345.487 1.679 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472528 321326656 /nfs/dbraw/zinc/32/66/56/321326656.db2.gz ASDMJMDIONMKDS-YVWKXTFCSA-N 3 2 345.487 1.679 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C1CC1 ZINC000289308394 444103255 /nfs/dbraw/zinc/10/32/55/444103255.db2.gz DSYZMKVTNUGWBN-GOSISDBHSA-N 2 2 349.450 1.931 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C1CC1 ZINC000289308394 444103257 /nfs/dbraw/zinc/10/32/57/444103257.db2.gz DSYZMKVTNUGWBN-GOSISDBHSA-N 2 2 349.450 1.931 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC1 ZINC000570877050 321361099 /nfs/dbraw/zinc/36/10/99/321361099.db2.gz FHVCNDLMTQYUEA-OAGGEKHMSA-N 2 2 331.464 1.997 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC1 ZINC000570877050 321361101 /nfs/dbraw/zinc/36/11/01/321361101.db2.gz FHVCNDLMTQYUEA-OAGGEKHMSA-N 2 2 331.464 1.997 20 0 EDADLP CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OCC ZINC000571226680 321378631 /nfs/dbraw/zinc/37/86/31/321378631.db2.gz UDIVFCOCJCMGFW-HUUCEWRRSA-N 2 2 333.432 1.228 20 0 EDADLP CCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OCC ZINC000571226680 321378632 /nfs/dbraw/zinc/37/86/32/321378632.db2.gz UDIVFCOCJCMGFW-HUUCEWRRSA-N 2 2 333.432 1.228 20 0 EDADLP Cc1ccccc1C(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000289339911 444111825 /nfs/dbraw/zinc/11/18/25/444111825.db2.gz JBLBNILCNHBBPO-GOSISDBHSA-N 2 2 345.487 1.644 20 0 EDADLP Cc1ccccc1C(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000289339911 444111830 /nfs/dbraw/zinc/11/18/30/444111830.db2.gz JBLBNILCNHBBPO-GOSISDBHSA-N 2 2 345.487 1.644 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000289349219 444114614 /nfs/dbraw/zinc/11/46/14/444114614.db2.gz KPJGDAJWCXVXIY-KBXCAEBGSA-N 2 2 331.460 1.919 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000289349219 444114618 /nfs/dbraw/zinc/11/46/18/444114618.db2.gz KPJGDAJWCXVXIY-KBXCAEBGSA-N 2 2 331.460 1.919 20 0 EDADLP CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)C2)ncn1 ZINC000572392100 321429210 /nfs/dbraw/zinc/42/92/10/321429210.db2.gz KYKSGUDXJFYPPD-XIRDDKMYSA-N 2 2 333.480 1.364 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1-n1ccnn1 ZINC000285897769 444145249 /nfs/dbraw/zinc/14/52/49/444145249.db2.gz CNCGHCAFRRWYJG-YOEHRIQHSA-N 2 2 342.447 1.258 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccccc1-n1ccnn1 ZINC000285897769 444145254 /nfs/dbraw/zinc/14/52/54/444145254.db2.gz CNCGHCAFRRWYJG-YOEHRIQHSA-N 2 2 342.447 1.258 20 0 EDADLP CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000294824096 444147057 /nfs/dbraw/zinc/14/70/57/444147057.db2.gz PGQVRLUPHUGRCN-OAHLLOKOSA-N 2 2 329.404 1.930 20 0 EDADLP CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000294824096 444147065 /nfs/dbraw/zinc/14/70/65/444147065.db2.gz PGQVRLUPHUGRCN-OAHLLOKOSA-N 2 2 329.404 1.930 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289380216 444123928 /nfs/dbraw/zinc/12/39/28/444123928.db2.gz LBPZKPJCYHDRFN-HOTGVXAUSA-N 2 2 338.448 1.646 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000289807976 444206260 /nfs/dbraw/zinc/20/62/60/444206260.db2.gz ISAQNZAYBYXXCL-DZGCQCFKSA-N 2 2 339.871 1.336 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000289807976 444206261 /nfs/dbraw/zinc/20/62/61/444206261.db2.gz ISAQNZAYBYXXCL-DZGCQCFKSA-N 2 2 339.871 1.336 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301570822 444180089 /nfs/dbraw/zinc/18/00/89/444180089.db2.gz WVPDLXITJFBHGK-HOTGVXAUSA-N 2 2 333.480 1.463 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301570822 444180090 /nfs/dbraw/zinc/18/00/90/444180090.db2.gz WVPDLXITJFBHGK-HOTGVXAUSA-N 2 2 333.480 1.463 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000301570822 444180093 /nfs/dbraw/zinc/18/00/93/444180093.db2.gz WVPDLXITJFBHGK-HOTGVXAUSA-N 2 2 333.480 1.463 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000301570822 444180095 /nfs/dbraw/zinc/18/00/95/444180095.db2.gz WVPDLXITJFBHGK-HOTGVXAUSA-N 2 2 333.480 1.463 20 0 EDADLP Cc1nc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c(C)c(C)[nH+]1 ZINC000301666904 444184044 /nfs/dbraw/zinc/18/40/44/444184044.db2.gz CNFYQEZHQBNAJV-UHFFFAOYSA-N 2 2 326.466 1.323 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301836465 444193016 /nfs/dbraw/zinc/19/30/16/444193016.db2.gz VHGXTYGLRVIALN-QGZVFWFLSA-N 2 2 344.507 1.905 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301836465 444193017 /nfs/dbraw/zinc/19/30/17/444193017.db2.gz VHGXTYGLRVIALN-QGZVFWFLSA-N 2 2 344.507 1.905 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000576343577 321558748 /nfs/dbraw/zinc/55/87/48/321558748.db2.gz AZKXIACWQKHXLP-MPGHIAIKSA-N 2 2 331.460 1.898 20 0 EDADLP Cc1cc(N2CCN(c3cc[nH+]cc3C(N)=O)CC2)nc(C(C)C)[nH+]1 ZINC000302031555 444201272 /nfs/dbraw/zinc/20/12/72/444201272.db2.gz NLCLRWUGILVJNG-UHFFFAOYSA-N 2 2 340.431 1.729 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000576579076 321578546 /nfs/dbraw/zinc/57/85/46/321578546.db2.gz YOANSYIWPRAREU-JKSUJKDBSA-N 2 2 329.400 1.430 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@H](O)[C@H]3C)CC2)c1 ZINC000296395930 444225859 /nfs/dbraw/zinc/22/58/59/444225859.db2.gz ULRQKSPBQOPEDK-IEBWSBKVSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@H](O)[C@H]3C)CC2)c1 ZINC000296395930 444225861 /nfs/dbraw/zinc/22/58/61/444225861.db2.gz ULRQKSPBQOPEDK-IEBWSBKVSA-N 2 2 345.487 1.484 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)CC1 ZINC000302880388 444229230 /nfs/dbraw/zinc/22/92/30/444229230.db2.gz HKVDNWWJXMQUOZ-MRXNPFEDSA-N 2 2 330.480 1.293 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000290043688 444234736 /nfs/dbraw/zinc/23/47/36/444234736.db2.gz RBOMZZYEQWLOHA-SFHVURJKSA-N 2 2 334.439 1.943 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000290043688 444234738 /nfs/dbraw/zinc/23/47/38/444234738.db2.gz RBOMZZYEQWLOHA-SFHVURJKSA-N 2 2 334.439 1.943 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000297651857 444314080 /nfs/dbraw/zinc/31/40/80/444314080.db2.gz VSFSZQDWGZJPIX-YOEHRIQHSA-N 2 2 343.431 1.196 20 0 EDADLP C[C@@H](CC(=O)NCc1cccnc1N1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000577616536 321667724 /nfs/dbraw/zinc/66/77/24/321667724.db2.gz ZCZREVXZEKPGTH-HNNXBMFYSA-N 2 2 342.447 1.297 20 0 EDADLP CS(=O)(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000577641385 321670333 /nfs/dbraw/zinc/67/03/33/321670333.db2.gz HDGRYIRNAKWHHA-GFCCVEGCSA-N 2 2 343.415 1.027 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000297367622 444284310 /nfs/dbraw/zinc/28/43/10/444284310.db2.gz LKLATTYMIKUSAX-KRWDZBQOSA-N 2 2 328.416 1.381 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000337825867 444426060 /nfs/dbraw/zinc/42/60/60/444426060.db2.gz XHWFKGDICYSLAB-LBPRGKRZSA-N 2 2 347.385 1.977 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000337825867 444426065 /nfs/dbraw/zinc/42/60/65/444426065.db2.gz XHWFKGDICYSLAB-LBPRGKRZSA-N 2 2 347.385 1.977 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccn(C)n1 ZINC000340505188 444414615 /nfs/dbraw/zinc/41/46/15/444414615.db2.gz MWNSEBJRUIEXFY-MSOLQXFVSA-N 2 2 328.460 1.880 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccn(C)n1 ZINC000340505188 444414618 /nfs/dbraw/zinc/41/46/18/444414618.db2.gz MWNSEBJRUIEXFY-MSOLQXFVSA-N 2 2 328.460 1.880 20 0 EDADLP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000327483620 444382323 /nfs/dbraw/zinc/38/23/23/444382323.db2.gz IGBWBAMPJULDRW-IBGZPJMESA-N 2 2 336.439 1.613 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000298003151 444384152 /nfs/dbraw/zinc/38/41/52/444384152.db2.gz JDSQFFWXIYMFKU-CABCVRRESA-N 2 2 347.463 1.058 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000298033781 444393141 /nfs/dbraw/zinc/39/31/41/444393141.db2.gz QYAMYKUTYDIWJD-OAHLLOKOSA-N 2 2 334.420 1.096 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)[NH+]1CCOCC1 ZINC000579352686 321924785 /nfs/dbraw/zinc/92/47/85/321924785.db2.gz IELSFHHFWDXIRL-NVXWUHKLSA-N 2 2 329.460 1.283 20 0 EDADLP CCn1nc(C)c([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c1C ZINC000580304782 322033817 /nfs/dbraw/zinc/03/38/17/322033817.db2.gz XWBMZHQMWXFTKM-LLVKDONJSA-N 2 2 331.468 1.956 20 0 EDADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000580889292 322108306 /nfs/dbraw/zinc/10/83/06/322108306.db2.gz WHUYBRJSRDRQAR-QAPCUYQASA-N 2 2 333.476 1.293 20 0 EDADLP CSC[C@@H](CCO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000580952636 322116940 /nfs/dbraw/zinc/11/69/40/322116940.db2.gz NQLQUQVHBGLMDV-CABCVRRESA-N 2 2 337.489 1.718 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)n[nH]1 ZINC000580955925 322117337 /nfs/dbraw/zinc/11/73/37/322117337.db2.gz HRFAVJKQJBUYJY-GOSISDBHSA-N 2 2 342.447 1.698 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)n[nH]1 ZINC000580955925 322117339 /nfs/dbraw/zinc/11/73/39/322117339.db2.gz HRFAVJKQJBUYJY-GOSISDBHSA-N 2 2 342.447 1.698 20 0 EDADLP CN(c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329213275 444503743 /nfs/dbraw/zinc/50/37/43/444503743.db2.gz JDQGVVYTNZMYNR-VPSFDDGASA-N 2 2 345.491 1.747 20 0 EDADLP CN(c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329213275 444503745 /nfs/dbraw/zinc/50/37/45/444503745.db2.gz JDQGVVYTNZMYNR-VPSFDDGASA-N 2 2 345.491 1.747 20 0 EDADLP CN(c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329213275 444503747 /nfs/dbraw/zinc/50/37/47/444503747.db2.gz JDQGVVYTNZMYNR-VPSFDDGASA-N 2 2 345.491 1.747 20 0 EDADLP CN(c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329213275 444503749 /nfs/dbraw/zinc/50/37/49/444503749.db2.gz JDQGVVYTNZMYNR-VPSFDDGASA-N 2 2 345.491 1.747 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000581424802 322175840 /nfs/dbraw/zinc/17/58/40/322175840.db2.gz IZZYAJQEPXJOSU-GUDVDZBRSA-N 3 2 341.540 1.702 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000581489104 322183997 /nfs/dbraw/zinc/18/39/97/322183997.db2.gz MHACJSHKJXNHBX-CVEARBPZSA-N 2 2 347.459 1.344 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000581489104 322183999 /nfs/dbraw/zinc/18/39/99/322183999.db2.gz MHACJSHKJXNHBX-CVEARBPZSA-N 2 2 347.459 1.344 20 0 EDADLP CC(C)(CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC000581646427 322202627 /nfs/dbraw/zinc/20/26/27/322202627.db2.gz LNIQAPUXEOVBNY-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC(C)(CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC000581646427 322202628 /nfs/dbraw/zinc/20/26/28/322202628.db2.gz LNIQAPUXEOVBNY-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP COc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(Cl)c1OC ZINC000581736788 322215754 /nfs/dbraw/zinc/21/57/54/322215754.db2.gz JTIGHMUYIPUTAD-WCQYABFASA-N 2 2 339.823 1.101 20 0 EDADLP COc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(Cl)c1OC ZINC000581736788 322215756 /nfs/dbraw/zinc/21/57/56/322215756.db2.gz JTIGHMUYIPUTAD-WCQYABFASA-N 2 2 339.823 1.101 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000581873822 322226283 /nfs/dbraw/zinc/22/62/83/322226283.db2.gz KJAVZWCNPAIRSE-KKUMJFAQSA-N 2 2 326.485 1.112 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccnc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000581880125 322227416 /nfs/dbraw/zinc/22/74/16/322227416.db2.gz SZZRCBGRZGYKMQ-BZPMIXESSA-N 2 2 347.381 1.660 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3(CO)CCOCC3)c2cc1C ZINC000581884688 322228532 /nfs/dbraw/zinc/22/85/32/322228532.db2.gz STSOKNINSMXXLU-MRXNPFEDSA-N 2 2 347.459 1.393 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CCC[N@@H+](C(C)(C)C)CC3)nc[nH+]2)C1 ZINC000581930556 322234196 /nfs/dbraw/zinc/23/41/96/322234196.db2.gz GTLAGVUAFAVQNN-CVEARBPZSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CCC[N@H+](C(C)(C)C)CC3)nc[nH+]2)C1 ZINC000581930556 322234198 /nfs/dbraw/zinc/23/41/98/322234198.db2.gz GTLAGVUAFAVQNN-CVEARBPZSA-N 2 2 347.507 1.994 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332332567 444510244 /nfs/dbraw/zinc/51/02/44/444510244.db2.gz SXTSNTUEVYVXQZ-OAHLLOKOSA-N 2 2 348.447 1.533 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]C3CC[NH+](C4CCC4)CC3)cn2)CC1 ZINC000343765364 444574307 /nfs/dbraw/zinc/57/43/07/444574307.db2.gz NDWGGGCAJCEUFN-UHFFFAOYSA-N 3 2 344.507 1.335 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1Cc1cccc(C[NH+]2CCN(C)C[C@H]2C)c1 ZINC000343727090 444548777 /nfs/dbraw/zinc/54/87/77/444548777.db2.gz XKXAJWTYFLSYIQ-QZTJIDSGSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1Cc1cccc(C[N@@H+]2CCN(C)C[C@H]2C)c1 ZINC000343727090 444548782 /nfs/dbraw/zinc/54/87/82/444548782.db2.gz XKXAJWTYFLSYIQ-QZTJIDSGSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1Cc1cccc(C[N@H+]2CCN(C)C[C@H]2C)c1 ZINC000343727090 444548789 /nfs/dbraw/zinc/54/87/89/444548789.db2.gz XKXAJWTYFLSYIQ-QZTJIDSGSA-N 2 2 330.520 1.958 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)nn1 ZINC000342183135 444552446 /nfs/dbraw/zinc/55/24/46/444552446.db2.gz ACMZGOYTSSEHDW-YOEHRIQHSA-N 2 2 331.468 1.765 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)nn1 ZINC000342183135 444552450 /nfs/dbraw/zinc/55/24/50/444552450.db2.gz ACMZGOYTSSEHDW-YOEHRIQHSA-N 2 2 331.468 1.765 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000332961555 444612206 /nfs/dbraw/zinc/61/22/06/444612206.db2.gz SKJFYVQRUUABRQ-HOTGVXAUSA-N 2 2 348.495 1.150 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000332961555 444612210 /nfs/dbraw/zinc/61/22/10/444612210.db2.gz SKJFYVQRUUABRQ-HOTGVXAUSA-N 2 2 348.495 1.150 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)CC1 ZINC000338303007 444620487 /nfs/dbraw/zinc/62/04/87/444620487.db2.gz NBFFQAJKJWQMRB-MRXNPFEDSA-N 3 2 345.491 1.173 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)CC1 ZINC000338303007 444620491 /nfs/dbraw/zinc/62/04/91/444620491.db2.gz NBFFQAJKJWQMRB-MRXNPFEDSA-N 3 2 345.491 1.173 20 0 EDADLP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000343897900 444654309 /nfs/dbraw/zinc/65/43/09/444654309.db2.gz YYRKEXQHDHEMMC-VQIMIIECSA-N 2 2 333.476 1.437 20 0 EDADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000333303231 444655729 /nfs/dbraw/zinc/65/57/29/444655729.db2.gz QJTLDRLDXMOQMW-HRCADAONSA-N 3 2 327.538 1.690 20 0 EDADLP COC(=O)c1ccoc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919619 444668816 /nfs/dbraw/zinc/66/88/16/444668816.db2.gz GPQNVGOVFURABA-ZBFHGGJFSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1ccoc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919619 444668821 /nfs/dbraw/zinc/66/88/21/444668821.db2.gz GPQNVGOVFURABA-ZBFHGGJFSA-N 2 2 335.448 1.524 20 0 EDADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCSCC1)CC2 ZINC000343995966 444717183 /nfs/dbraw/zinc/71/71/83/444717183.db2.gz AYIFKCOUXMZIPN-OAGGEKHMSA-N 2 2 325.522 1.897 20 0 EDADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCSCC1)CC2 ZINC000343995966 444717188 /nfs/dbraw/zinc/71/71/88/444717188.db2.gz AYIFKCOUXMZIPN-OAGGEKHMSA-N 2 2 325.522 1.897 20 0 EDADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000333928927 444720956 /nfs/dbraw/zinc/72/09/56/444720956.db2.gz XWHKDANHFYHYJK-OKZBNKHCSA-N 2 2 343.475 1.297 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(-c2ccnn2C)c1 ZINC000338431250 444691283 /nfs/dbraw/zinc/69/12/83/444691283.db2.gz GYGMQAREGCSTGA-KRWDZBQOSA-N 2 2 327.476 1.731 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(-c2ccnn2C)c1 ZINC000338431250 444691287 /nfs/dbraw/zinc/69/12/87/444691287.db2.gz GYGMQAREGCSTGA-KRWDZBQOSA-N 2 2 327.476 1.731 20 0 EDADLP CN(C)[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1c[nH+]cn1C ZINC000344036867 444742314 /nfs/dbraw/zinc/74/23/14/444742314.db2.gz VLWSSANPCHAMBF-QGZVFWFLSA-N 2 2 347.463 1.596 20 0 EDADLP CN(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1c[nH+]cn1C ZINC000344036867 444742320 /nfs/dbraw/zinc/74/23/20/444742320.db2.gz VLWSSANPCHAMBF-QGZVFWFLSA-N 2 2 347.463 1.596 20 0 EDADLP C[N@H+](CC[C@H]1CCCO1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342571002 444749264 /nfs/dbraw/zinc/74/92/64/444749264.db2.gz QHHAQORZHCMKFY-MRXNPFEDSA-N 2 2 335.448 1.425 20 0 EDADLP C[N@@H+](CC[C@H]1CCCO1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342571002 444749267 /nfs/dbraw/zinc/74/92/67/444749267.db2.gz QHHAQORZHCMKFY-MRXNPFEDSA-N 2 2 335.448 1.425 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000342641617 444792185 /nfs/dbraw/zinc/79/21/85/444792185.db2.gz DAUAZLSUVQXBFG-KRWDZBQOSA-N 2 2 343.431 1.344 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1Cc1ccccc1 ZINC000341379866 444803278 /nfs/dbraw/zinc/80/32/78/444803278.db2.gz PWUSELQGYWZYGB-GOSISDBHSA-N 2 2 341.459 1.842 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1Cc1ccccc1 ZINC000341379866 444803281 /nfs/dbraw/zinc/80/32/81/444803281.db2.gz PWUSELQGYWZYGB-GOSISDBHSA-N 2 2 341.459 1.842 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCn2cc[nH+]c2C1 ZINC000330005294 444807871 /nfs/dbraw/zinc/80/78/71/444807871.db2.gz DEKCAEJYSHNJRC-UHFFFAOYSA-N 2 2 325.376 1.075 20 0 EDADLP COCCOC1C[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000336880093 444827251 /nfs/dbraw/zinc/82/72/51/444827251.db2.gz OWRBCMVLXWCVJB-HNNXBMFYSA-N 2 2 333.432 1.361 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000330084170 444838767 /nfs/dbraw/zinc/83/87/67/444838767.db2.gz KYMNYODHLXLISU-CVEARBPZSA-N 2 2 331.464 1.384 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000330084170 444838768 /nfs/dbraw/zinc/83/87/68/444838768.db2.gz KYMNYODHLXLISU-CVEARBPZSA-N 2 2 331.464 1.384 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000330084170 444838773 /nfs/dbraw/zinc/83/87/73/444838773.db2.gz KYMNYODHLXLISU-CVEARBPZSA-N 2 2 331.464 1.384 20 0 EDADLP CC1(C)Cc2cccc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)c2O1 ZINC000344205924 444839092 /nfs/dbraw/zinc/83/90/92/444839092.db2.gz CMZBIXXRDLWHMK-INIZCTEOSA-N 2 2 331.460 1.830 20 0 EDADLP CC1(C)Cc2cccc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)c2O1 ZINC000344205924 444839096 /nfs/dbraw/zinc/83/90/96/444839096.db2.gz CMZBIXXRDLWHMK-INIZCTEOSA-N 2 2 331.460 1.830 20 0 EDADLP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000342765265 444856555 /nfs/dbraw/zinc/85/65/55/444856555.db2.gz NERARMXCCILMKO-INIZCTEOSA-N 2 2 337.414 1.618 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000330157626 444866044 /nfs/dbraw/zinc/86/60/44/444866044.db2.gz ZIZOMNPBQYHECJ-HOTGVXAUSA-N 2 2 342.447 2.241 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000341573117 444901537 /nfs/dbraw/zinc/90/15/37/444901537.db2.gz UQQHAKYZYYRYTF-KKUMJFAQSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000341573117 444901542 /nfs/dbraw/zinc/90/15/42/444901542.db2.gz UQQHAKYZYYRYTF-KKUMJFAQSA-N 2 2 326.485 1.077 20 0 EDADLP CCOc1ccc([C@@H](COC)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000341935590 445081060 /nfs/dbraw/zinc/08/10/60/445081060.db2.gz KBQOAILLPCBVED-QGZVFWFLSA-N 2 2 335.448 1.136 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)N2CCOCC2)cc1 ZINC000343069610 445040380 /nfs/dbraw/zinc/04/03/80/445040380.db2.gz CNEIIHLMERJXOL-SNRMKQJTSA-N 2 2 333.476 1.608 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)N2CCOCC2)cc1 ZINC000343069610 445040383 /nfs/dbraw/zinc/04/03/83/445040383.db2.gz CNEIIHLMERJXOL-SNRMKQJTSA-N 2 2 333.476 1.608 20 0 EDADLP C[C@H](CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C[NH+]1CCCC1 ZINC000343077872 445046136 /nfs/dbraw/zinc/04/61/36/445046136.db2.gz JPODOYOKVXAZEW-MRXNPFEDSA-N 2 2 346.475 1.376 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000337553742 445134597 /nfs/dbraw/zinc/13/45/97/445134597.db2.gz UIIVUQXUGOQOFG-KRWDZBQOSA-N 2 2 344.503 1.881 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000337553742 445134601 /nfs/dbraw/zinc/13/46/01/445134601.db2.gz UIIVUQXUGOQOFG-KRWDZBQOSA-N 2 2 344.503 1.881 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337459826 445090590 /nfs/dbraw/zinc/09/05/90/445090590.db2.gz OTGUOBITXWNWKH-ZWKOTPCHSA-N 2 2 339.524 1.924 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337459826 445090593 /nfs/dbraw/zinc/09/05/93/445090593.db2.gz OTGUOBITXWNWKH-ZWKOTPCHSA-N 2 2 339.524 1.924 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000343157726 445103499 /nfs/dbraw/zinc/10/34/99/445103499.db2.gz COGRTQCOVOTEAL-HNNXBMFYSA-N 2 2 344.484 1.894 20 0 EDADLP CC[C@H](C(=O)NC1CC[NH+](CCOC)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339248178 445113334 /nfs/dbraw/zinc/11/33/34/445113334.db2.gz HSCCHWASFICZHG-IAGOWNOFSA-N 2 2 341.496 1.103 20 0 EDADLP CC[C@H](C(=O)NC1CC[NH+](CCOC)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339248178 445113337 /nfs/dbraw/zinc/11/33/37/445113337.db2.gz HSCCHWASFICZHG-IAGOWNOFSA-N 2 2 341.496 1.103 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)NCC2(c3ccccc3)CCOCC2)CCC1 ZINC000342098744 445171681 /nfs/dbraw/zinc/17/16/81/445171681.db2.gz ITOGKLTUVHKHSM-UHFFFAOYSA-N 2 2 331.460 1.322 20 0 EDADLP C[NH+](C)CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000343289678 445183281 /nfs/dbraw/zinc/18/32/81/445183281.db2.gz DLGRHCPKWIWJFW-UHFFFAOYSA-N 2 2 326.404 1.823 20 0 EDADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3CC[NH2+]CC3(F)F)cc2)[nH]1 ZINC000343432817 445222016 /nfs/dbraw/zinc/22/20/16/445222016.db2.gz IMLWBROGMCCCCO-NSHDSACASA-N 2 2 336.346 1.114 20 0 EDADLP CN(C)[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1c[nH+]cn1C ZINC000343469432 445228473 /nfs/dbraw/zinc/22/84/73/445228473.db2.gz GTNCDDSEEHIKHJ-KRWDZBQOSA-N 2 2 333.480 1.357 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000343484674 445231804 /nfs/dbraw/zinc/23/18/04/445231804.db2.gz WKEFKYZYWKPCHD-HNAYVOBHSA-N 2 2 345.487 1.816 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000343484674 445231806 /nfs/dbraw/zinc/23/18/06/445231806.db2.gz WKEFKYZYWKPCHD-HNAYVOBHSA-N 2 2 345.487 1.816 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000347519674 445240496 /nfs/dbraw/zinc/24/04/96/445240496.db2.gz INAGSVBAXNOCCO-UHFFFAOYSA-N 2 2 341.415 1.071 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1)C(=O)[C@@H]1CCC[NH+]1C ZINC000347459580 445238946 /nfs/dbraw/zinc/23/89/46/445238946.db2.gz ZFNIDDOUGQKUSA-OKZBNKHCSA-N 2 2 331.460 1.611 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1)C(=O)[C@@H]1CCC[NH+]1C ZINC000347459580 445238947 /nfs/dbraw/zinc/23/89/47/445238947.db2.gz ZFNIDDOUGQKUSA-OKZBNKHCSA-N 2 2 331.460 1.611 20 0 EDADLP CN(C[C@@H]1OCC[NH+](C)[C@@H]1c1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000347459580 445238948 /nfs/dbraw/zinc/23/89/48/445238948.db2.gz ZFNIDDOUGQKUSA-OKZBNKHCSA-N 2 2 331.460 1.611 20 0 EDADLP CN(C[C@@H]1OCC[NH+](C)[C@@H]1c1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000347459580 445238949 /nfs/dbraw/zinc/23/89/49/445238949.db2.gz ZFNIDDOUGQKUSA-OKZBNKHCSA-N 2 2 331.460 1.611 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000348099483 445268057 /nfs/dbraw/zinc/26/80/57/445268057.db2.gz HHKLVRXLAOOQNQ-GRYCIOLGSA-N 2 2 338.349 1.188 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000348099483 445268059 /nfs/dbraw/zinc/26/80/59/445268059.db2.gz HHKLVRXLAOOQNQ-GRYCIOLGSA-N 2 2 338.349 1.188 20 0 EDADLP Cc1ccc(-n2c[nH+]c3c2CCN(C[C@H](O)C[N@@H+](C)C2CC2)C3)cc1 ZINC000351629791 445248579 /nfs/dbraw/zinc/24/85/79/445248579.db2.gz QEPYPEMQUCEJCN-GOSISDBHSA-N 2 2 340.471 1.994 20 0 EDADLP Cc1ccc(-n2c[nH+]c3c2CCN(C[C@H](O)C[N@H+](C)C2CC2)C3)cc1 ZINC000351629791 445248585 /nfs/dbraw/zinc/24/85/85/445248585.db2.gz QEPYPEMQUCEJCN-GOSISDBHSA-N 2 2 340.471 1.994 20 0 EDADLP CCc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000351633923 445250717 /nfs/dbraw/zinc/25/07/17/445250717.db2.gz XDEOKOHQKSZBLX-AWEZNQCLSA-N 2 2 346.475 1.590 20 0 EDADLP CCc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000351633923 445250721 /nfs/dbraw/zinc/25/07/21/445250721.db2.gz XDEOKOHQKSZBLX-AWEZNQCLSA-N 2 2 346.475 1.590 20 0 EDADLP COC(=O)c1cnoc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351751034 445308172 /nfs/dbraw/zinc/30/81/72/445308172.db2.gz FFCMXKFPUJKIIP-ZDUSSCGKSA-N 2 2 336.436 1.062 20 0 EDADLP COC(=O)c1cnoc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351751034 445308176 /nfs/dbraw/zinc/30/81/76/445308176.db2.gz FFCMXKFPUJKIIP-ZDUSSCGKSA-N 2 2 336.436 1.062 20 0 EDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351775568 445317174 /nfs/dbraw/zinc/31/71/74/445317174.db2.gz QRLYURFXMJFORG-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351775568 445317175 /nfs/dbraw/zinc/31/71/75/445317175.db2.gz QRLYURFXMJFORG-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000348535465 445317348 /nfs/dbraw/zinc/31/73/48/445317348.db2.gz UVTZJQGOJJXVPO-SJORKVTESA-N 2 2 339.528 1.186 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000348535465 445317350 /nfs/dbraw/zinc/31/73/50/445317350.db2.gz UVTZJQGOJJXVPO-SJORKVTESA-N 2 2 339.528 1.186 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000348535465 445317352 /nfs/dbraw/zinc/31/73/52/445317352.db2.gz UVTZJQGOJJXVPO-SJORKVTESA-N 2 2 339.528 1.186 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000348535465 445317354 /nfs/dbraw/zinc/31/73/54/445317354.db2.gz UVTZJQGOJJXVPO-SJORKVTESA-N 2 2 339.528 1.186 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[N@@H+]1C ZINC000343650626 445282650 /nfs/dbraw/zinc/28/26/50/445282650.db2.gz KADJTSYEEVSHNL-HOCLYGCPSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CCC[N@H+]1C ZINC000343650626 445282654 /nfs/dbraw/zinc/28/26/54/445282654.db2.gz KADJTSYEEVSHNL-HOCLYGCPSA-N 2 2 331.464 1.964 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)C1 ZINC000348464292 445299810 /nfs/dbraw/zinc/29/98/10/445299810.db2.gz YFGLAAGABQNNDZ-IAGOWNOFSA-N 2 2 346.475 1.683 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)C1 ZINC000348464292 445299812 /nfs/dbraw/zinc/29/98/12/445299812.db2.gz YFGLAAGABQNNDZ-IAGOWNOFSA-N 2 2 346.475 1.683 20 0 EDADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000354668535 445333241 /nfs/dbraw/zinc/33/32/41/445333241.db2.gz HNKNSWKVHWDGDA-CQSZACIVSA-N 2 2 327.388 1.274 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000351851282 445343626 /nfs/dbraw/zinc/34/36/26/445343626.db2.gz LBCOTYVKRRSRPW-GDBMZVCRSA-N 2 2 327.432 1.158 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000351851282 445343628 /nfs/dbraw/zinc/34/36/28/445343628.db2.gz LBCOTYVKRRSRPW-GDBMZVCRSA-N 2 2 327.432 1.158 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[NH+]1Cc1cnn(C)c1 ZINC000351905440 445366829 /nfs/dbraw/zinc/36/68/29/445366829.db2.gz IIDWBMPQDHRFSX-HOTGVXAUSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[NH+]1Cc1cnn(C)c1 ZINC000351905440 445366835 /nfs/dbraw/zinc/36/68/35/445366835.db2.gz IIDWBMPQDHRFSX-HOTGVXAUSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351905440 445366840 /nfs/dbraw/zinc/36/68/40/445366840.db2.gz IIDWBMPQDHRFSX-HOTGVXAUSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351905440 445366846 /nfs/dbraw/zinc/36/68/46/445366846.db2.gz IIDWBMPQDHRFSX-HOTGVXAUSA-N 2 2 339.459 1.131 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000357093985 445424978 /nfs/dbraw/zinc/42/49/78/445424978.db2.gz XLIPYYOSBXZYLF-KGLIPLIRSA-N 2 2 337.851 1.376 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000357093985 445424982 /nfs/dbraw/zinc/42/49/82/445424982.db2.gz XLIPYYOSBXZYLF-KGLIPLIRSA-N 2 2 337.851 1.376 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](CO)C(C)C)CC2)c1 ZINC000359787053 445428097 /nfs/dbraw/zinc/42/80/97/445428097.db2.gz CEHXXHUPTNMDNT-SFHVURJKSA-N 2 2 333.476 1.246 20 0 EDADLP Cn1ccnc1[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(F)c1 ZINC000357032139 445384863 /nfs/dbraw/zinc/38/48/63/445384863.db2.gz XHZLDIPOFNOVQD-INIZCTEOSA-N 2 2 332.423 1.695 20 0 EDADLP Cc1ccc(NCCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[nH+]c1 ZINC000357108629 445433569 /nfs/dbraw/zinc/43/35/69/445433569.db2.gz IEFJRUHKHYRMKT-UHFFFAOYSA-N 2 2 336.399 2.203 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000348900039 445434777 /nfs/dbraw/zinc/43/47/77/445434777.db2.gz KOEQGKXFMCHHLS-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000348900039 445434778 /nfs/dbraw/zinc/43/47/78/445434778.db2.gz KOEQGKXFMCHHLS-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000348900039 445434780 /nfs/dbraw/zinc/43/47/80/445434780.db2.gz KOEQGKXFMCHHLS-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000348900039 445434781 /nfs/dbraw/zinc/43/47/81/445434781.db2.gz KOEQGKXFMCHHLS-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)C[C@@H](C)O1 ZINC000348986119 445465647 /nfs/dbraw/zinc/46/56/47/445465647.db2.gz BEQPCUMORJATMZ-HUUCEWRRSA-N 2 2 347.459 1.613 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C[C@H]1Cc1ccccc1 ZINC000357175276 445467900 /nfs/dbraw/zinc/46/79/00/445467900.db2.gz FEKGHZFEFDQFLB-MOPGFXCFSA-N 2 2 327.472 1.999 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C[C@H]1Cc1ccccc1 ZINC000357175276 445467902 /nfs/dbraw/zinc/46/79/02/445467902.db2.gz FEKGHZFEFDQFLB-MOPGFXCFSA-N 2 2 327.472 1.999 20 0 EDADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C[C@H]1Cc1ccccc1 ZINC000357175276 445467906 /nfs/dbraw/zinc/46/79/06/445467906.db2.gz FEKGHZFEFDQFLB-MOPGFXCFSA-N 2 2 327.472 1.999 20 0 EDADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)C[C@H]1Cc1ccccc1 ZINC000357175276 445467909 /nfs/dbraw/zinc/46/79/09/445467909.db2.gz FEKGHZFEFDQFLB-MOPGFXCFSA-N 2 2 327.472 1.999 20 0 EDADLP C[C@H](C[NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000357226310 445491966 /nfs/dbraw/zinc/49/19/66/445491966.db2.gz OSORHGKEKNTSFY-CYBMUJFWSA-N 2 2 326.404 1.856 20 0 EDADLP C[C@H](CO)CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000362677716 445494762 /nfs/dbraw/zinc/49/47/62/445494762.db2.gz UBOFQEACSAEGDC-HNNXBMFYSA-N 2 2 340.512 1.253 20 0 EDADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362682850 445498331 /nfs/dbraw/zinc/49/83/31/445498331.db2.gz HFTSYXMTRIUSGE-INIZCTEOSA-N 2 2 347.507 1.651 20 0 EDADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362682850 445498333 /nfs/dbraw/zinc/49/83/33/445498333.db2.gz HFTSYXMTRIUSGE-INIZCTEOSA-N 2 2 347.507 1.651 20 0 EDADLP CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(CC)CC ZINC000357388995 445555993 /nfs/dbraw/zinc/55/59/93/445555993.db2.gz IWPABQIATCZWNX-HOTGVXAUSA-N 2 2 325.497 1.676 20 0 EDADLP CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(CC)CC ZINC000357388995 445555998 /nfs/dbraw/zinc/55/59/98/445555998.db2.gz IWPABQIATCZWNX-HOTGVXAUSA-N 2 2 325.497 1.676 20 0 EDADLP Cn1c(CC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc2ccccc21 ZINC000362842611 445576275 /nfs/dbraw/zinc/57/62/75/445576275.db2.gz ZUQWTWSYLDYTOE-OAHLLOKOSA-N 2 2 341.459 1.012 20 0 EDADLP Cn1c(CC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc2ccccc21 ZINC000362842611 445576278 /nfs/dbraw/zinc/57/62/78/445576278.db2.gz ZUQWTWSYLDYTOE-OAHLLOKOSA-N 2 2 341.459 1.012 20 0 EDADLP C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000349448457 445590220 /nfs/dbraw/zinc/59/02/20/445590220.db2.gz GBEPZFMEMORTPL-INIZCTEOSA-N 2 2 348.472 1.646 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000356079279 445606552 /nfs/dbraw/zinc/60/65/52/445606552.db2.gz CEJOWDCXYOMHDA-KBPBESRZSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000356079279 445606558 /nfs/dbraw/zinc/60/65/58/445606558.db2.gz CEJOWDCXYOMHDA-KBPBESRZSA-N 2 2 340.493 1.371 20 0 EDADLP CCCN1C(=O)CC[C@H](C(=O)N(C)CC[NH+](C)C)[C@H]1c1c[nH+]cn1C ZINC000356289163 445719016 /nfs/dbraw/zinc/71/90/16/445719016.db2.gz WDMDVZXRKNUKCH-YOEHRIQHSA-N 2 2 349.479 1.130 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](CO)C2)CC1 ZINC000353609365 445675650 /nfs/dbraw/zinc/67/56/50/445675650.db2.gz MUOZOCWUYHCCLQ-SFHVURJKSA-N 2 2 333.476 1.412 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](CO)C2)CC1 ZINC000353609365 445675654 /nfs/dbraw/zinc/67/56/54/445675654.db2.gz MUOZOCWUYHCCLQ-SFHVURJKSA-N 2 2 333.476 1.412 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000356232865 445689656 /nfs/dbraw/zinc/68/96/56/445689656.db2.gz GJEIQRQJPZBBKV-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000356232865 445689658 /nfs/dbraw/zinc/68/96/58/445689658.db2.gz GJEIQRQJPZBBKV-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000356232865 445689661 /nfs/dbraw/zinc/68/96/61/445689661.db2.gz GJEIQRQJPZBBKV-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000356232865 445689665 /nfs/dbraw/zinc/68/96/65/445689665.db2.gz GJEIQRQJPZBBKV-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCOCC3CC3)C2)CC1 ZINC000363139166 445692968 /nfs/dbraw/zinc/69/29/68/445692968.db2.gz LFZWRDKAXYKTII-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCOCC3CC3)C2)CC1 ZINC000363139166 445692972 /nfs/dbraw/zinc/69/29/72/445692972.db2.gz LFZWRDKAXYKTII-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(C(F)F)CC3)cn2)CC1 ZINC000353691836 445709924 /nfs/dbraw/zinc/70/99/24/445709924.db2.gz UTSLNHQKKGERBY-UHFFFAOYSA-N 2 2 325.407 1.706 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000363338585 445771939 /nfs/dbraw/zinc/77/19/39/445771939.db2.gz IJEDHGVWSNVATH-YLJYHZDGSA-N 2 2 345.487 1.305 20 0 EDADLP Cc1cccn2c(C[NH2+][C@H]3CCCc4c3cnn4CCO)c[nH+]c12 ZINC000363264923 445746051 /nfs/dbraw/zinc/74/60/51/445746051.db2.gz USHOPYFDERZPAO-INIZCTEOSA-N 2 2 325.416 1.999 20 0 EDADLP CC[N@H+](C[C@H](C)OC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000361567414 445824230 /nfs/dbraw/zinc/82/42/30/445824230.db2.gz WNNAJRNVPOUQDM-HOTGVXAUSA-N 2 2 334.464 1.476 20 0 EDADLP CC[N@@H+](C[C@H](C)OC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000361567414 445824233 /nfs/dbraw/zinc/82/42/33/445824233.db2.gz WNNAJRNVPOUQDM-HOTGVXAUSA-N 2 2 334.464 1.476 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000353951354 445824268 /nfs/dbraw/zinc/82/42/68/445824268.db2.gz OJZNCXPUYAMVJW-HZPDHXFCSA-N 2 2 334.464 1.718 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000353951354 445824273 /nfs/dbraw/zinc/82/42/73/445824273.db2.gz OJZNCXPUYAMVJW-HZPDHXFCSA-N 2 2 334.464 1.718 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)Cn1cc[nH+]c1 ZINC000363354528 445777412 /nfs/dbraw/zinc/77/74/12/445777412.db2.gz BUACQNIBAQTMEX-RDJZCZTQSA-N 2 2 327.432 1.695 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)Cn1cc[nH+]c1 ZINC000363354528 445777418 /nfs/dbraw/zinc/77/74/18/445777418.db2.gz BUACQNIBAQTMEX-RDJZCZTQSA-N 2 2 327.432 1.695 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000361491378 445784957 /nfs/dbraw/zinc/78/49/57/445784957.db2.gz XEQHMNQLPLBXHH-SFHVURJKSA-N 2 2 331.460 1.490 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000361491378 445784961 /nfs/dbraw/zinc/78/49/61/445784961.db2.gz XEQHMNQLPLBXHH-SFHVURJKSA-N 2 2 331.460 1.490 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000361520038 445801233 /nfs/dbraw/zinc/80/12/33/445801233.db2.gz RJFSPEMYIDHNQI-CQSZACIVSA-N 2 2 332.448 1.660 20 0 EDADLP C[C@H](O)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000356463716 445804706 /nfs/dbraw/zinc/80/47/06/445804706.db2.gz WMTIEMYLGIKYJM-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H](O)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000356463716 445804708 /nfs/dbraw/zinc/80/47/08/445804708.db2.gz WMTIEMYLGIKYJM-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1c1noc([C@@H]2CCC[NH+]2C2CCOCC2)n1 ZINC000350580473 445851572 /nfs/dbraw/zinc/85/15/72/445851572.db2.gz KDVOFFPBDFHFJK-LSDHHAIUSA-N 2 2 335.452 1.304 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1c1noc([C@@H]2CCC[NH+]2C2CCOCC2)n1 ZINC000350580473 445851576 /nfs/dbraw/zinc/85/15/76/445851576.db2.gz KDVOFFPBDFHFJK-LSDHHAIUSA-N 2 2 335.452 1.304 20 0 EDADLP CN1CC[NH+](C)C[C@@H]1c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000350580473 445851580 /nfs/dbraw/zinc/85/15/80/445851580.db2.gz KDVOFFPBDFHFJK-LSDHHAIUSA-N 2 2 335.452 1.304 20 0 EDADLP CN1CC[NH+](C)C[C@@H]1c1noc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000350580473 445851585 /nfs/dbraw/zinc/85/15/85/445851585.db2.gz KDVOFFPBDFHFJK-LSDHHAIUSA-N 2 2 335.452 1.304 20 0 EDADLP C[C@H]1CCSCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364479823 445925981 /nfs/dbraw/zinc/92/59/81/445925981.db2.gz PAXWXMCBMSSLPS-GJZGRUSLSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@H]1CCSCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364479823 445925988 /nfs/dbraw/zinc/92/59/88/445925988.db2.gz PAXWXMCBMSSLPS-GJZGRUSLSA-N 2 2 340.537 1.692 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000361778656 445936323 /nfs/dbraw/zinc/93/63/23/445936323.db2.gz BVWGLLSCONZAMW-CVEARBPZSA-N 2 2 349.479 1.417 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000361778656 445936326 /nfs/dbraw/zinc/93/63/26/445936326.db2.gz BVWGLLSCONZAMW-CVEARBPZSA-N 2 2 349.479 1.417 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000364375584 445916324 /nfs/dbraw/zinc/91/63/24/445916324.db2.gz AWPWQPQYFIEDST-IRXDYDNUSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000364375584 445916326 /nfs/dbraw/zinc/91/63/26/445916326.db2.gz AWPWQPQYFIEDST-IRXDYDNUSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@]1(C(=O)N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)CC[NH2+]C1 ZINC000361798460 445955366 /nfs/dbraw/zinc/95/53/66/445955366.db2.gz KOXOOSCFZHZSMY-IBGZPJMESA-N 2 2 349.450 1.868 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000369155012 445958661 /nfs/dbraw/zinc/95/86/61/445958661.db2.gz JTTMNDVFTCIMOM-LJQANCHMSA-N 2 2 344.503 1.705 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(n3cc[nH+]c3)CC2)CCCO1 ZINC000372987043 445960795 /nfs/dbraw/zinc/96/07/95/445960795.db2.gz XKXJDWVYNCTXIK-MRXNPFEDSA-N 2 2 349.479 1.731 20 0 EDADLP CC(C)[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000373004241 445968850 /nfs/dbraw/zinc/96/88/50/445968850.db2.gz BIIMRUARHSNHSA-MSOLQXFVSA-N 2 2 337.508 1.722 20 0 EDADLP [NH3+]C1CCC(OCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000582722343 325911766 /nfs/dbraw/zinc/91/17/66/325911766.db2.gz DJVAIPSHUDUGLH-UHFFFAOYSA-N 2 2 342.443 1.834 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000373094222 446023337 /nfs/dbraw/zinc/02/33/37/446023337.db2.gz GMNOEZDABHWKDV-GFCCVEGCSA-N 2 2 329.429 1.869 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000373094222 446023342 /nfs/dbraw/zinc/02/33/42/446023342.db2.gz GMNOEZDABHWKDV-GFCCVEGCSA-N 2 2 329.429 1.869 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSc3ccncc3)C2)CC1 ZINC000369265351 446031029 /nfs/dbraw/zinc/03/10/29/446031029.db2.gz FYLKFXKAFNXPDW-CQSZACIVSA-N 2 2 334.489 1.458 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSc3ccncc3)C2)CC1 ZINC000369265351 446031031 /nfs/dbraw/zinc/03/10/31/446031031.db2.gz FYLKFXKAFNXPDW-CQSZACIVSA-N 2 2 334.489 1.458 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000365109890 446032080 /nfs/dbraw/zinc/03/20/80/446032080.db2.gz GSPNLPALWIUFIX-KRWDZBQOSA-N 2 2 332.448 1.690 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000365109890 446032084 /nfs/dbraw/zinc/03/20/84/446032084.db2.gz GSPNLPALWIUFIX-KRWDZBQOSA-N 2 2 332.448 1.690 20 0 EDADLP C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273550 446037752 /nfs/dbraw/zinc/03/77/52/446037752.db2.gz HLMYVEFZKICXOG-JKSUJKDBSA-N 2 2 331.460 1.739 20 0 EDADLP C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273550 446037754 /nfs/dbraw/zinc/03/77/54/446037754.db2.gz HLMYVEFZKICXOG-JKSUJKDBSA-N 2 2 331.460 1.739 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000366082224 446001118 /nfs/dbraw/zinc/00/11/18/446001118.db2.gz CJQWXIPZUNODSY-BFYDXBDKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000366082224 446001124 /nfs/dbraw/zinc/00/11/24/446001124.db2.gz CJQWXIPZUNODSY-BFYDXBDKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000366082224 446001135 /nfs/dbraw/zinc/00/11/35/446001135.db2.gz CJQWXIPZUNODSY-BFYDXBDKSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)no1 ZINC000359178463 446004172 /nfs/dbraw/zinc/00/41/72/446004172.db2.gz XEKNWLWQMYCXQO-UHFFFAOYSA-N 2 2 344.415 1.821 20 0 EDADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@H]1CCCOC1 ZINC000356782005 446013727 /nfs/dbraw/zinc/01/37/27/446013727.db2.gz KBBDSZABIOWCKT-IRXDYDNUSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@H]1CCCOC1 ZINC000356782005 446013731 /nfs/dbraw/zinc/01/37/31/446013731.db2.gz KBBDSZABIOWCKT-IRXDYDNUSA-N 2 2 325.497 1.188 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(C=O)cc3)C2)CC1 ZINC000369295636 446053913 /nfs/dbraw/zinc/05/39/13/446053913.db2.gz WPQIKFHAKFQRBO-INIZCTEOSA-N 2 2 345.443 1.163 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccc(C=O)cc3)C2)CC1 ZINC000369295636 446053918 /nfs/dbraw/zinc/05/39/18/446053918.db2.gz WPQIKFHAKFQRBO-INIZCTEOSA-N 2 2 345.443 1.163 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000583747917 326131890 /nfs/dbraw/zinc/13/18/90/326131890.db2.gz JUEQLLYIFQJCII-YJBOKZPZSA-N 2 2 329.448 1.454 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000583810268 326144024 /nfs/dbraw/zinc/14/40/24/326144024.db2.gz FEKBDJWYKOZIMG-RBUKOAKNSA-N 2 2 344.503 1.185 20 0 EDADLP Cc1cc(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000583928356 326166666 /nfs/dbraw/zinc/16/66/66/326166666.db2.gz VOOODSMOJYHAMF-FQEVSTJZSA-N 2 2 339.439 1.952 20 0 EDADLP Cc1cc(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000583928356 326166668 /nfs/dbraw/zinc/16/66/68/326166668.db2.gz VOOODSMOJYHAMF-FQEVSTJZSA-N 2 2 339.439 1.952 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)CCN2C1=O ZINC000584124359 326205340 /nfs/dbraw/zinc/20/53/40/326205340.db2.gz CNFOTEYRGRVJAO-UONOGXRCSA-N 2 2 328.441 1.554 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)CCN2C1=O ZINC000584124359 326205344 /nfs/dbraw/zinc/20/53/44/326205344.db2.gz CNFOTEYRGRVJAO-UONOGXRCSA-N 2 2 328.441 1.554 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000369314233 446066518 /nfs/dbraw/zinc/06/65/18/446066518.db2.gz ABWSHSQMUDSFFS-UHFFFAOYSA-N 2 2 343.475 1.930 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000354277154 446074916 /nfs/dbraw/zinc/07/49/16/446074916.db2.gz ZEYDMWKPIUMKQI-QZTJIDSGSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000354277154 446074917 /nfs/dbraw/zinc/07/49/17/446074917.db2.gz ZEYDMWKPIUMKQI-QZTJIDSGSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354277154 446074922 /nfs/dbraw/zinc/07/49/22/446074922.db2.gz ZEYDMWKPIUMKQI-QZTJIDSGSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354277154 446074924 /nfs/dbraw/zinc/07/49/24/446074924.db2.gz ZEYDMWKPIUMKQI-QZTJIDSGSA-N 2 2 337.508 1.868 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)C1 ZINC000361939558 446088791 /nfs/dbraw/zinc/08/87/91/446088791.db2.gz NVGWHXNMSMQCGM-VQTJNVASSA-N 2 2 347.503 1.232 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@@](C)(O)c3ccccc3)CC2)C1 ZINC000361939558 446088797 /nfs/dbraw/zinc/08/87/97/446088797.db2.gz NVGWHXNMSMQCGM-VQTJNVASSA-N 2 2 347.503 1.232 20 0 EDADLP CCCN(CC(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369361775 446104372 /nfs/dbraw/zinc/10/43/72/446104372.db2.gz AMFOQAWYVYNDHE-ZDUSSCGKSA-N 2 2 332.439 1.842 20 0 EDADLP CCCN(CC(F)F)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369361775 446104376 /nfs/dbraw/zinc/10/43/76/446104376.db2.gz AMFOQAWYVYNDHE-ZDUSSCGKSA-N 2 2 332.439 1.842 20 0 EDADLP CN(Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369369195 446109678 /nfs/dbraw/zinc/10/96/78/446109678.db2.gz FHFLCTKFFYOPRC-INIZCTEOSA-N 2 2 346.475 1.702 20 0 EDADLP CN(Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369369195 446109681 /nfs/dbraw/zinc/10/96/81/446109681.db2.gz FHFLCTKFFYOPRC-INIZCTEOSA-N 2 2 346.475 1.702 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C(C)(C)C[NH+](C)C ZINC000366279480 446125058 /nfs/dbraw/zinc/12/50/58/446125058.db2.gz HQTAPLRLWVAGSV-DZGCQCFKSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C(C)(C)C[NH+](C)C ZINC000366279480 446125062 /nfs/dbraw/zinc/12/50/62/446125062.db2.gz HQTAPLRLWVAGSV-DZGCQCFKSA-N 2 2 326.485 1.125 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000369525340 446127778 /nfs/dbraw/zinc/12/77/78/446127778.db2.gz BEDYXJRVAYHVNL-UHFFFAOYSA-N 2 2 336.461 1.660 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000366284705 446127957 /nfs/dbraw/zinc/12/79/57/446127957.db2.gz RCZJXMIGKPLBOW-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000366284705 446127964 /nfs/dbraw/zinc/12/79/64/446127964.db2.gz RCZJXMIGKPLBOW-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366284705 446127971 /nfs/dbraw/zinc/12/79/71/446127971.db2.gz RCZJXMIGKPLBOW-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366284705 446127977 /nfs/dbraw/zinc/12/79/77/446127977.db2.gz RCZJXMIGKPLBOW-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351573722 446170928 /nfs/dbraw/zinc/17/09/28/446170928.db2.gz LRGBGOIQMQKBPU-VQTJNVASSA-N 2 2 347.503 1.413 20 0 EDADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351573722 446170929 /nfs/dbraw/zinc/17/09/29/446170929.db2.gz LRGBGOIQMQKBPU-VQTJNVASSA-N 2 2 347.503 1.413 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354415023 446188471 /nfs/dbraw/zinc/18/84/71/446188471.db2.gz YMFLGLDBKIBTJH-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354415023 446188478 /nfs/dbraw/zinc/18/84/78/446188478.db2.gz YMFLGLDBKIBTJH-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000356955643 446156944 /nfs/dbraw/zinc/15/69/44/446156944.db2.gz GLNVEYNLCJKRKT-UHFFFAOYSA-N 2 2 336.480 1.862 20 0 EDADLP CC[NH+]1CCC(Nc2nc(C)[nH+]c(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000359336710 446157771 /nfs/dbraw/zinc/15/77/71/446157771.db2.gz WHEJEVVWNRYSFT-UHFFFAOYSA-N 3 2 347.511 1.972 20 0 EDADLP C[NH+](C)[C@H]1CCCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000365430143 446204252 /nfs/dbraw/zinc/20/42/52/446204252.db2.gz VDJCHBXJILCSOM-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP C[NH+](C)[C@H]1CCCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000365430143 446204260 /nfs/dbraw/zinc/20/42/60/446204260.db2.gz VDJCHBXJILCSOM-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000362091943 446207849 /nfs/dbraw/zinc/20/78/49/446207849.db2.gz ZDZQAXUUGMFLLM-GOSISDBHSA-N 2 2 335.448 1.733 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000370279340 446210363 /nfs/dbraw/zinc/21/03/63/446210363.db2.gz PDOXYAYLUDZWKM-UHFFFAOYSA-N 2 2 340.431 1.565 20 0 EDADLP C[C@H]1CC[N@H+](Cc2nnnn2CC2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000365454583 446213553 /nfs/dbraw/zinc/21/35/53/446213553.db2.gz BEZPINGNUQVKCL-GOEBONIOSA-N 2 2 345.451 1.379 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2nnnn2CC2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000365454583 446213559 /nfs/dbraw/zinc/21/35/59/446213559.db2.gz BEZPINGNUQVKCL-GOEBONIOSA-N 2 2 345.451 1.379 20 0 EDADLP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000370352731 446242465 /nfs/dbraw/zinc/24/24/65/446242465.db2.gz CZAFLDHQQCNNKG-ROUUACIJSA-N 2 2 343.471 1.911 20 0 EDADLP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000370352731 446242470 /nfs/dbraw/zinc/24/24/70/446242470.db2.gz CZAFLDHQQCNNKG-ROUUACIJSA-N 2 2 343.471 1.911 20 0 EDADLP COC(=O)CCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370390588 446258707 /nfs/dbraw/zinc/25/87/07/446258707.db2.gz WVFMESOCORKJIS-MRXNPFEDSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370390588 446258708 /nfs/dbraw/zinc/25/87/08/446258708.db2.gz WVFMESOCORKJIS-MRXNPFEDSA-N 2 2 339.480 1.347 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000362220842 446270246 /nfs/dbraw/zinc/27/02/46/446270246.db2.gz NDATWHPXLOGHCX-CRAIPNDOSA-N 2 2 328.460 1.629 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3c[nH+]ccc3C)CC1)C2 ZINC000365611445 446273385 /nfs/dbraw/zinc/27/33/85/446273385.db2.gz IAARUWNBDTVAKB-MRXNPFEDSA-N 2 2 339.443 1.806 20 0 EDADLP Cc1[nH+]c(CNC(=O)NCC2([NH+]3CCOCC3)CC2)c2n1CCCC2 ZINC000370500157 446308171 /nfs/dbraw/zinc/30/81/71/446308171.db2.gz QIZGBOVLSCSCIV-UHFFFAOYSA-N 2 2 347.463 1.192 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000365705712 446309285 /nfs/dbraw/zinc/30/92/85/446309285.db2.gz VGUDEJBZEPOAJJ-ZNMIVQPWSA-N 2 2 335.452 1.203 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000365705712 446309289 /nfs/dbraw/zinc/30/92/89/446309289.db2.gz VGUDEJBZEPOAJJ-ZNMIVQPWSA-N 2 2 335.452 1.203 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[NH+]1CCSCC1 ZINC000366715892 446320989 /nfs/dbraw/zinc/32/09/89/446320989.db2.gz BRYRZHUBBOFYRV-ZDUSSCGKSA-N 2 2 331.445 1.321 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)C2(N3CC[NH+](C)CC3)CCCC2)CC[N@H+]1C ZINC000365772426 446336524 /nfs/dbraw/zinc/33/65/24/446336524.db2.gz QWXXDKCHOPVOSM-SJORKVTESA-N 2 2 336.524 1.488 20 0 EDADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370479113 446297660 /nfs/dbraw/zinc/29/76/60/446297660.db2.gz CLJLYJMTZGCQRG-GOSISDBHSA-N 2 2 340.427 1.478 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417960455 446401043 /nfs/dbraw/zinc/40/10/43/446401043.db2.gz XQLHFBYNSMUYMH-ONERCXAPSA-N 2 2 326.391 1.699 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417960455 446401045 /nfs/dbraw/zinc/40/10/45/446401045.db2.gz XQLHFBYNSMUYMH-ONERCXAPSA-N 2 2 326.391 1.699 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370652785 446374425 /nfs/dbraw/zinc/37/44/25/446374425.db2.gz IRUNOAKPBVEDGR-DRRXZNNHSA-N 2 2 325.497 1.769 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370652785 446374427 /nfs/dbraw/zinc/37/44/27/446374427.db2.gz IRUNOAKPBVEDGR-DRRXZNNHSA-N 2 2 325.497 1.769 20 0 EDADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370669605 446380462 /nfs/dbraw/zinc/38/04/62/446380462.db2.gz NTRDDFRKZWUUPT-RCCFBDPRSA-N 3 2 327.513 1.434 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370669605 446380468 /nfs/dbraw/zinc/38/04/68/446380468.db2.gz NTRDDFRKZWUUPT-RCCFBDPRSA-N 3 2 327.513 1.434 20 0 EDADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370669605 446380471 /nfs/dbraw/zinc/38/04/71/446380471.db2.gz NTRDDFRKZWUUPT-RCCFBDPRSA-N 3 2 327.513 1.434 20 0 EDADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370669605 446380475 /nfs/dbraw/zinc/38/04/75/446380475.db2.gz NTRDDFRKZWUUPT-RCCFBDPRSA-N 3 2 327.513 1.434 20 0 EDADLP Cn1cc([C@@H](O)C[NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000370683161 446385402 /nfs/dbraw/zinc/38/54/02/446385402.db2.gz VAMMLVYWPARXJW-SFHVURJKSA-N 2 2 332.423 1.847 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@@H](C[NH3+])C2)nc[nH+]1 ZINC000420244990 446428660 /nfs/dbraw/zinc/42/86/60/446428660.db2.gz RIQBVFRIAAAHLG-VBQJREDUSA-N 2 2 335.452 1.256 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@@H](C[NH3+])C2)[nH+]cn1 ZINC000420244990 446428663 /nfs/dbraw/zinc/42/86/63/446428663.db2.gz RIQBVFRIAAAHLG-VBQJREDUSA-N 2 2 335.452 1.256 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000420282677 446449739 /nfs/dbraw/zinc/44/97/39/446449739.db2.gz AZZSHUXDLSGVRT-HEHGZKQESA-N 2 2 333.432 1.147 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000420282677 446449740 /nfs/dbraw/zinc/44/97/40/446449740.db2.gz AZZSHUXDLSGVRT-HEHGZKQESA-N 2 2 333.432 1.147 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000411128673 446405220 /nfs/dbraw/zinc/40/52/20/446405220.db2.gz FDPGYQWLLUEPSM-LBPRGKRZSA-N 2 2 332.448 1.793 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000411128673 446405223 /nfs/dbraw/zinc/40/52/23/446405223.db2.gz FDPGYQWLLUEPSM-LBPRGKRZSA-N 2 2 332.448 1.793 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418003467 446412619 /nfs/dbraw/zinc/41/26/19/446412619.db2.gz YJCFIHYQRCBBSP-KBPBESRZSA-N 2 2 328.819 1.872 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418003467 446412621 /nfs/dbraw/zinc/41/26/21/446412621.db2.gz YJCFIHYQRCBBSP-KBPBESRZSA-N 2 2 328.819 1.872 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NC2CCN(CC[NH+](C)C)CC2)n1 ZINC000370748378 446414801 /nfs/dbraw/zinc/41/48/01/446414801.db2.gz QYNGDARSVLOQEH-UHFFFAOYSA-N 2 2 328.464 2.014 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NC2CC[NH+](CCN(C)C)CC2)n1 ZINC000370748378 446414804 /nfs/dbraw/zinc/41/48/04/446414804.db2.gz QYNGDARSVLOQEH-UHFFFAOYSA-N 2 2 328.464 2.014 20 0 EDADLP CC[N@H+](CCOC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000370751349 446416103 /nfs/dbraw/zinc/41/61/03/446416103.db2.gz UYDCDPFVYOTSGH-UHFFFAOYSA-N 2 2 341.496 1.106 20 0 EDADLP CC[N@@H+](CCOC)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000370751349 446416107 /nfs/dbraw/zinc/41/61/07/446416107.db2.gz UYDCDPFVYOTSGH-UHFFFAOYSA-N 2 2 341.496 1.106 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@]2([NH+](C)C)CCCSC2)CC1 ZINC000366952637 446425443 /nfs/dbraw/zinc/42/54/43/446425443.db2.gz APUVDOGUEBCQHQ-QGZVFWFLSA-N 2 2 343.537 1.383 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000420315348 446480783 /nfs/dbraw/zinc/48/07/83/446480783.db2.gz LXDGQIMFMMPGRM-QZTJIDSGSA-N 3 2 332.492 1.609 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000420315348 446480786 /nfs/dbraw/zinc/48/07/86/446480786.db2.gz LXDGQIMFMMPGRM-QZTJIDSGSA-N 3 2 332.492 1.609 20 0 EDADLP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423228942 446459199 /nfs/dbraw/zinc/45/91/99/446459199.db2.gz GAJDFPPSWKJMOQ-AWEZNQCLSA-N 3 2 326.448 1.826 20 0 EDADLP Cc1ncsc1C[N@H+](CCN1CCO[C@H](C)C1)C[C@@H]1CC[NH2+]C1 ZINC000420302171 446463445 /nfs/dbraw/zinc/46/34/45/446463445.db2.gz BHFJRUYGEHOTBF-GDBMZVCRSA-N 2 2 338.521 1.584 20 0 EDADLP Cc1ncsc1C[N@@H+](CCN1CCO[C@H](C)C1)C[C@@H]1CC[NH2+]C1 ZINC000420302171 446463453 /nfs/dbraw/zinc/46/34/53/446463453.db2.gz BHFJRUYGEHOTBF-GDBMZVCRSA-N 2 2 338.521 1.584 20 0 EDADLP Cc1ncsc1CN(CC[N@@H+]1CCO[C@H](C)C1)C[C@@H]1CC[NH2+]C1 ZINC000420302171 446463457 /nfs/dbraw/zinc/46/34/57/446463457.db2.gz BHFJRUYGEHOTBF-GDBMZVCRSA-N 2 2 338.521 1.584 20 0 EDADLP Cc1ncsc1CN(CC[N@H+]1CCO[C@H](C)C1)C[C@@H]1CC[NH2+]C1 ZINC000420302171 446463464 /nfs/dbraw/zinc/46/34/64/446463464.db2.gz BHFJRUYGEHOTBF-GDBMZVCRSA-N 2 2 338.521 1.584 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420303203 446465375 /nfs/dbraw/zinc/46/53/75/446465375.db2.gz HLMIMNYERIATLA-IMJJTQAJSA-N 2 2 331.416 1.471 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420303203 446465378 /nfs/dbraw/zinc/46/53/78/446465378.db2.gz HLMIMNYERIATLA-IMJJTQAJSA-N 2 2 331.416 1.471 20 0 EDADLP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[NH+](CCO)CC1 ZINC000411283430 446466039 /nfs/dbraw/zinc/46/60/39/446466039.db2.gz WGQXVQOZNCPEOO-UHFFFAOYSA-N 2 2 331.460 1.423 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000420305298 446468212 /nfs/dbraw/zinc/46/82/12/446468212.db2.gz PHPGBFSLCWWTLB-ZCNNSNEGSA-N 2 2 326.440 1.991 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000420305298 446468217 /nfs/dbraw/zinc/46/82/17/446468217.db2.gz PHPGBFSLCWWTLB-ZCNNSNEGSA-N 2 2 326.440 1.991 20 0 EDADLP Cc1noc(CCCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370840485 446473466 /nfs/dbraw/zinc/47/34/66/446473466.db2.gz VWVJJPGKKKZMNZ-INIZCTEOSA-N 2 2 349.479 1.328 20 0 EDADLP Cc1noc(CCCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370840485 446473472 /nfs/dbraw/zinc/47/34/72/446473472.db2.gz VWVJJPGKKKZMNZ-INIZCTEOSA-N 2 2 349.479 1.328 20 0 EDADLP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000423301133 446477206 /nfs/dbraw/zinc/47/72/06/446477206.db2.gz SOFDSOXDKTUPCU-AWEZNQCLSA-N 2 2 340.431 1.234 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000418282159 446483592 /nfs/dbraw/zinc/48/35/92/446483592.db2.gz WVBVPMCZUAHYOL-KBPBESRZSA-N 2 2 341.431 1.113 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000418282159 446483593 /nfs/dbraw/zinc/48/35/93/446483593.db2.gz WVBVPMCZUAHYOL-KBPBESRZSA-N 2 2 341.431 1.113 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c(C)[nH+]1 ZINC000411309396 446483754 /nfs/dbraw/zinc/48/37/54/446483754.db2.gz LISVWHCRKWKFHY-UHFFFAOYSA-N 2 2 329.404 1.691 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)[NH+]2CCOCC2)c1 ZINC000423338158 446494596 /nfs/dbraw/zinc/49/45/96/446494596.db2.gz VSJZXNUBAIVQDO-ROUUACIJSA-N 2 2 331.460 1.612 20 0 EDADLP CC[NH2+]CCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000418317306 446495705 /nfs/dbraw/zinc/49/57/05/446495705.db2.gz MBCSVFHWNYTJJA-UHFFFAOYSA-N 2 2 325.482 1.278 20 0 EDADLP CC[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000418317306 446495708 /nfs/dbraw/zinc/49/57/08/446495708.db2.gz MBCSVFHWNYTJJA-UHFFFAOYSA-N 2 2 325.482 1.278 20 0 EDADLP CN(C(=O)NCCC[NH3+])[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418349620 446509001 /nfs/dbraw/zinc/50/90/01/446509001.db2.gz KRXOZSNEHOMIBE-IRXDYDNUSA-N 3 2 339.528 1.314 20 0 EDADLP CN(C(=O)NCCC[NH3+])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418349620 446509005 /nfs/dbraw/zinc/50/90/05/446509005.db2.gz KRXOZSNEHOMIBE-IRXDYDNUSA-N 3 2 339.528 1.314 20 0 EDADLP COC[C@]1(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000423387637 446511825 /nfs/dbraw/zinc/51/18/25/446511825.db2.gz SSEGDIRXMUVKEX-BEFAXECRSA-N 2 2 347.459 1.644 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420382251 446558821 /nfs/dbraw/zinc/55/88/21/446558821.db2.gz ZSLZAUNOGWZCRF-GBIKHYSHSA-N 2 2 325.434 1.449 20 0 EDADLP CC(C)C[C@@H](NC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420388968 446564614 /nfs/dbraw/zinc/56/46/14/446564614.db2.gz LTXMAPZOCSXJKC-ZWKOTPCHSA-N 2 2 333.476 1.940 20 0 EDADLP CC(C)C[C@@H](NC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420388968 446564618 /nfs/dbraw/zinc/56/46/18/446564618.db2.gz LTXMAPZOCSXJKC-ZWKOTPCHSA-N 2 2 333.476 1.940 20 0 EDADLP CC(C)C[C@@H](NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000420388962 446564707 /nfs/dbraw/zinc/56/47/07/446564707.db2.gz LTXMAPZOCSXJKC-QZTJIDSGSA-N 2 2 333.476 1.940 20 0 EDADLP CC(C)C[C@@H](NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000420388962 446564710 /nfs/dbraw/zinc/56/47/10/446564710.db2.gz LTXMAPZOCSXJKC-QZTJIDSGSA-N 2 2 333.476 1.940 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420345679 446518413 /nfs/dbraw/zinc/51/84/13/446518413.db2.gz BBXAOTDMEJZCEB-QGZVFWFLSA-N 2 2 337.489 1.512 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420345679 446518418 /nfs/dbraw/zinc/51/84/18/446518418.db2.gz BBXAOTDMEJZCEB-QGZVFWFLSA-N 2 2 337.489 1.512 20 0 EDADLP COC[C@@]1(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CCC[NH2+]1 ZINC000423425072 446530625 /nfs/dbraw/zinc/53/06/25/446530625.db2.gz MHICMXFDFFQIEY-BBRMVZONSA-N 2 2 341.477 1.477 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(F)cccc1F ZINC000423425442 446531211 /nfs/dbraw/zinc/53/12/11/446531211.db2.gz GSSJQADRPNDYDK-BLLLJJGKSA-N 2 2 339.386 1.145 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420354039 446534061 /nfs/dbraw/zinc/53/40/61/446534061.db2.gz NWPRVDAMKHKTDI-WDEREUQCSA-N 2 2 331.819 1.077 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420354039 446534068 /nfs/dbraw/zinc/53/40/68/446534068.db2.gz NWPRVDAMKHKTDI-WDEREUQCSA-N 2 2 331.819 1.077 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000420355660 446535420 /nfs/dbraw/zinc/53/54/20/446535420.db2.gz CEKBWLITPVPIJF-FHSNZYRGSA-N 2 2 346.500 1.931 20 0 EDADLP COCCOc1ccc(CNC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420355512 446536469 /nfs/dbraw/zinc/53/64/69/446536469.db2.gz BYQXBNSGPCVFLS-ZRGWGRIASA-N 2 2 349.475 1.304 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423439823 446538014 /nfs/dbraw/zinc/53/80/14/446538014.db2.gz IFKCSUMKJQIJFK-ZWKOTPCHSA-N 2 2 335.492 1.620 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423439823 446538020 /nfs/dbraw/zinc/53/80/20/446538020.db2.gz IFKCSUMKJQIJFK-ZWKOTPCHSA-N 2 2 335.492 1.620 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000367351940 446538401 /nfs/dbraw/zinc/53/84/01/446538401.db2.gz TUXKDDXRVUIDIQ-BFYDXBDKSA-N 2 2 332.448 1.823 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000367351940 446538405 /nfs/dbraw/zinc/53/84/05/446538405.db2.gz TUXKDDXRVUIDIQ-BFYDXBDKSA-N 2 2 332.448 1.823 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)[nH+]1 ZINC000367383450 446540029 /nfs/dbraw/zinc/54/00/29/446540029.db2.gz FVKRJXHMTYJUJQ-UONOGXRCSA-N 2 2 343.435 1.300 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420362242 446540764 /nfs/dbraw/zinc/54/07/64/446540764.db2.gz IPBUQDLTHPHAIG-IOASZLSFSA-N 2 2 325.478 1.413 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420362835 446543045 /nfs/dbraw/zinc/54/30/45/446543045.db2.gz IZKXUJDELCBISF-BIENJYKASA-N 2 2 346.475 1.280 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418448629 446545163 /nfs/dbraw/zinc/54/51/63/446545163.db2.gz JHYNNSDGWIAESK-GOSISDBHSA-N 3 2 347.507 1.354 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418448629 446545172 /nfs/dbraw/zinc/54/51/72/446545172.db2.gz JHYNNSDGWIAESK-GOSISDBHSA-N 3 2 347.507 1.354 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000418447857 446545278 /nfs/dbraw/zinc/54/52/78/446545278.db2.gz PWLILTYDPZIGAF-HOTGVXAUSA-N 2 2 326.485 1.400 20 0 EDADLP COc1cccc(S(=O)(=O)CC[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420372561 446550511 /nfs/dbraw/zinc/55/05/11/446550511.db2.gz YGGPZAHUWLDTIN-HNNXBMFYSA-N 2 2 326.462 1.447 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000420376515 446554889 /nfs/dbraw/zinc/55/48/89/446554889.db2.gz PFPRYFMLEWCDAS-APWZRJJASA-N 2 2 329.444 1.876 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000420376515 446554897 /nfs/dbraw/zinc/55/48/97/446554897.db2.gz PFPRYFMLEWCDAS-APWZRJJASA-N 2 2 329.444 1.876 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000420377091 446555413 /nfs/dbraw/zinc/55/54/13/446555413.db2.gz ROKQPRJLNGWJPL-QYZOEREBSA-N 2 2 334.460 1.045 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000420377091 446555418 /nfs/dbraw/zinc/55/54/18/446555418.db2.gz ROKQPRJLNGWJPL-QYZOEREBSA-N 2 2 334.460 1.045 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCCSc2ccccc2)CCCO1 ZINC000420380042 446557384 /nfs/dbraw/zinc/55/73/84/446557384.db2.gz BNRLTYFKGUIOOV-OAHLLOKOSA-N 2 2 337.489 1.335 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCCSc2ccccc2)CCCO1 ZINC000420380042 446557387 /nfs/dbraw/zinc/55/73/87/446557387.db2.gz BNRLTYFKGUIOOV-OAHLLOKOSA-N 2 2 337.489 1.335 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nnc(-c4ccccn4)s3)C2)CC1 ZINC000367940066 446612253 /nfs/dbraw/zinc/61/22/53/446612253.db2.gz YILZUSOYNGNGDU-CYBMUJFWSA-N 2 2 344.488 2.181 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nnc(-c4ccccn4)s3)C2)CC1 ZINC000367940066 446612260 /nfs/dbraw/zinc/61/22/60/446612260.db2.gz YILZUSOYNGNGDU-CYBMUJFWSA-N 2 2 344.488 2.181 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418529249 446581571 /nfs/dbraw/zinc/58/15/71/446581571.db2.gz SYMOGHXICUUSAF-DJIMGWMZSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418529249 446581578 /nfs/dbraw/zinc/58/15/78/446581578.db2.gz SYMOGHXICUUSAF-DJIMGWMZSA-N 3 2 339.528 1.312 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000433751535 446594788 /nfs/dbraw/zinc/59/47/88/446594788.db2.gz NHPOKRHEAMQBCL-JYJNAYRXSA-N 2 2 333.480 1.747 20 0 EDADLP CC[N@H+]1C[C@H](C)N(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000433751535 446594793 /nfs/dbraw/zinc/59/47/93/446594793.db2.gz NHPOKRHEAMQBCL-JYJNAYRXSA-N 2 2 333.480 1.747 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000418664201 446640685 /nfs/dbraw/zinc/64/06/85/446640685.db2.gz IKRCXUSUBITEHZ-WKILWMFISA-N 2 2 334.464 1.872 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000371129835 446644269 /nfs/dbraw/zinc/64/42/69/446644269.db2.gz OIVRAKQAAAEJEV-KRWDZBQOSA-N 2 2 347.507 1.464 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(CC)CC1 ZINC000371129835 446644274 /nfs/dbraw/zinc/64/42/74/446644274.db2.gz OIVRAKQAAAEJEV-KRWDZBQOSA-N 2 2 347.507 1.464 20 0 EDADLP Cn1ccnc(N2CCC([NH2+]Cc3cccc4[nH+]ccn43)CC2)c1=O ZINC000376679087 446645477 /nfs/dbraw/zinc/64/54/77/446645477.db2.gz KCYPEJOGRJKZFZ-UHFFFAOYSA-N 2 2 338.415 1.187 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000371145618 446655469 /nfs/dbraw/zinc/65/54/69/446655469.db2.gz MTOGLWZFKDLYPG-SFHVURJKSA-N 2 2 345.487 1.001 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000418739482 446662552 /nfs/dbraw/zinc/66/25/52/446662552.db2.gz YPNXOIOHNMHADO-KBPBESRZSA-N 2 2 330.423 1.501 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368142637 446666198 /nfs/dbraw/zinc/66/61/98/446666198.db2.gz MDMKRLHBHPWLNB-BURFUSLBSA-N 2 2 336.501 1.920 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368142637 446666203 /nfs/dbraw/zinc/66/62/03/446666203.db2.gz MDMKRLHBHPWLNB-BURFUSLBSA-N 2 2 336.501 1.920 20 0 EDADLP CO[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000376643692 446622800 /nfs/dbraw/zinc/62/28/00/446622800.db2.gz QKJUPLNUXOWJED-CALCHBBNSA-N 2 2 338.496 1.364 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cs1 ZINC000423760944 446689446 /nfs/dbraw/zinc/68/94/46/446689446.db2.gz QSRLQNFOEDXDOS-GDBMZVCRSA-N 2 2 336.505 1.861 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)cs1 ZINC000423760944 446689450 /nfs/dbraw/zinc/68/94/50/446689450.db2.gz QSRLQNFOEDXDOS-GDBMZVCRSA-N 2 2 336.505 1.861 20 0 EDADLP CC(C)[C@@H](CNc1nc(N[C@H]2CCCOC2)cc[nH+]1)[NH+]1CCOCC1 ZINC000435344423 446690228 /nfs/dbraw/zinc/69/02/28/446690228.db2.gz VMYARWLMXKMNOQ-JKSUJKDBSA-N 2 2 349.479 1.836 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423811530 446703200 /nfs/dbraw/zinc/70/32/00/446703200.db2.gz BZJBXPCXNOTOJJ-FSBGKCOPSA-N 2 2 341.377 1.965 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423811530 446703206 /nfs/dbraw/zinc/70/32/06/446703206.db2.gz BZJBXPCXNOTOJJ-FSBGKCOPSA-N 2 2 341.377 1.965 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnn(CCF)c3)CC2)CC1 ZINC000376769544 446707993 /nfs/dbraw/zinc/70/79/93/446707993.db2.gz XYTGPHHXBYIBBZ-UHFFFAOYSA-N 2 2 337.443 1.141 20 0 EDADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000376775027 446712042 /nfs/dbraw/zinc/71/20/42/446712042.db2.gz ABDNXCGIXLDDTG-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000376775027 446712047 /nfs/dbraw/zinc/71/20/47/446712047.db2.gz ABDNXCGIXLDDTG-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371249656 446714877 /nfs/dbraw/zinc/71/48/77/446714877.db2.gz MSZYTTJACDUZEM-KRWDZBQOSA-N 2 2 343.475 1.078 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371249656 446714884 /nfs/dbraw/zinc/71/48/84/446714884.db2.gz MSZYTTJACDUZEM-KRWDZBQOSA-N 2 2 343.475 1.078 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423827120 446716097 /nfs/dbraw/zinc/71/60/97/446716097.db2.gz NCSVQXWTBGEJEI-NILFDRSVSA-N 2 2 325.815 1.950 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423827120 446716104 /nfs/dbraw/zinc/71/61/04/446716104.db2.gz NCSVQXWTBGEJEI-NILFDRSVSA-N 2 2 325.815 1.950 20 0 EDADLP [NH3+][C@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000371282026 446739817 /nfs/dbraw/zinc/73/98/17/446739817.db2.gz XQPBDCVJUFCUDK-IEBWSBKVSA-N 2 2 347.459 1.074 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)COC2C[NH2+]C2)[C@H](C)C1 ZINC000423862078 446734437 /nfs/dbraw/zinc/73/44/37/446734437.db2.gz RKHJLOYMMLDKBC-OAHLLOKOSA-N 2 2 347.459 1.106 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)COC2C[NH2+]C2)[C@H](C)C1 ZINC000423862078 446734443 /nfs/dbraw/zinc/73/44/43/446734443.db2.gz RKHJLOYMMLDKBC-OAHLLOKOSA-N 2 2 347.459 1.106 20 0 EDADLP Cc1csc(=O)n1CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300319 446756149 /nfs/dbraw/zinc/75/61/49/446756149.db2.gz OGSHDXIDMDPEBP-RRFJBIMHSA-N 2 2 325.478 1.402 20 0 EDADLP Cc1csc(=O)n1CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300319 446756151 /nfs/dbraw/zinc/75/61/51/446756151.db2.gz OGSHDXIDMDPEBP-RRFJBIMHSA-N 2 2 325.478 1.402 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCc1ccccc1 ZINC000371301825 446757384 /nfs/dbraw/zinc/75/73/84/446757384.db2.gz WMYRTNXQMUWBFP-KURKYZTESA-N 2 2 331.460 1.486 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCc1ccccc1 ZINC000371301825 446757390 /nfs/dbraw/zinc/75/73/90/446757390.db2.gz WMYRTNXQMUWBFP-KURKYZTESA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C[NH+]1CCCCC1 ZINC000368304681 446771490 /nfs/dbraw/zinc/77/14/90/446771490.db2.gz PCRBNNFFPTYEAJ-NVXWUHKLSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C[NH+]1CCCCC1 ZINC000368304681 446771495 /nfs/dbraw/zinc/77/14/95/446771495.db2.gz PCRBNNFFPTYEAJ-NVXWUHKLSA-N 2 2 338.496 1.271 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1)C1CC1 ZINC000437907189 446771574 /nfs/dbraw/zinc/77/15/74/446771574.db2.gz STRPKWUZANYONX-IBGZPJMESA-N 2 2 342.487 1.401 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1)C1CC1 ZINC000437907189 446771583 /nfs/dbraw/zinc/77/15/83/446771583.db2.gz STRPKWUZANYONX-IBGZPJMESA-N 2 2 342.487 1.401 20 0 EDADLP O=C([C@@H]1CCC[NH2+]1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923158 446772745 /nfs/dbraw/zinc/77/27/45/446772745.db2.gz BJNPMTVSEHQIDI-GJZGRUSLSA-N 2 2 330.432 1.414 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)[C@H](C)[NH3+] ZINC000423923134 446773366 /nfs/dbraw/zinc/77/33/66/446773366.db2.gz XGUFNUUOESRFSZ-TUUVXOQKSA-N 2 2 339.459 1.068 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)[C@H](C)[NH3+] ZINC000423923134 446773378 /nfs/dbraw/zinc/77/33/78/446773378.db2.gz XGUFNUUOESRFSZ-TUUVXOQKSA-N 2 2 339.459 1.068 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423930357 446782002 /nfs/dbraw/zinc/78/20/02/446782002.db2.gz VUMGNESFNJRSTO-RDBSUJKOSA-N 2 2 340.468 1.432 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423930357 446782007 /nfs/dbraw/zinc/78/20/07/446782007.db2.gz VUMGNESFNJRSTO-RDBSUJKOSA-N 2 2 340.468 1.432 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423932942 446784131 /nfs/dbraw/zinc/78/41/31/446784131.db2.gz QLJAECDWHHYMKP-WBAXXEDZSA-N 2 2 331.460 1.657 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423932942 446784136 /nfs/dbraw/zinc/78/41/36/446784136.db2.gz QLJAECDWHHYMKP-WBAXXEDZSA-N 2 2 331.460 1.657 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000454231024 446817773 /nfs/dbraw/zinc/81/77/73/446817773.db2.gz SODNJECGJAIRLW-LSDHHAIUSA-N 2 2 337.468 1.620 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+](Cc3cnn(CCOC)c3)CC2)CC1 ZINC000371421406 446842448 /nfs/dbraw/zinc/84/24/48/446842448.db2.gz SFTPXESNAJDXNU-UHFFFAOYSA-N 2 2 349.523 1.522 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3cnn(CCOC)c3)CC2)CC1 ZINC000371421406 446842453 /nfs/dbraw/zinc/84/24/53/446842453.db2.gz SFTPXESNAJDXNU-UHFFFAOYSA-N 2 2 349.523 1.522 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)n1C ZINC000371418809 446843282 /nfs/dbraw/zinc/84/32/82/446843282.db2.gz QSKFVBDELAFSHC-UHFFFAOYSA-N 2 2 335.496 1.873 20 0 EDADLP O=C1CC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN12 ZINC000420928311 446899381 /nfs/dbraw/zinc/89/93/81/446899381.db2.gz COSPDZJAIBHYPD-SFHVURJKSA-N 2 2 329.444 1.325 20 0 EDADLP O=C1CC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN12 ZINC000420928311 446899389 /nfs/dbraw/zinc/89/93/89/446899389.db2.gz COSPDZJAIBHYPD-SFHVURJKSA-N 2 2 329.444 1.325 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419009072 446863097 /nfs/dbraw/zinc/86/30/97/446863097.db2.gz VICMBXHOGXMIGU-MRXNPFEDSA-N 2 2 346.475 1.135 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419009072 446863102 /nfs/dbraw/zinc/86/31/02/446863102.db2.gz VICMBXHOGXMIGU-MRXNPFEDSA-N 2 2 346.475 1.135 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371460058 446869406 /nfs/dbraw/zinc/86/94/06/446869406.db2.gz QEFFYYIPYCQFCO-NHZBNJEXSA-N 2 2 346.450 1.861 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371460058 446869411 /nfs/dbraw/zinc/86/94/11/446869411.db2.gz QEFFYYIPYCQFCO-NHZBNJEXSA-N 2 2 346.450 1.861 20 0 EDADLP CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420897979 446874645 /nfs/dbraw/zinc/87/46/45/446874645.db2.gz BRHGUJYRGHRWDT-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420897979 446874648 /nfs/dbraw/zinc/87/46/48/446874648.db2.gz BRHGUJYRGHRWDT-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP c1ncn(C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)n1 ZINC000420900531 446876200 /nfs/dbraw/zinc/87/62/00/446876200.db2.gz IGLGAGFNSYVFPM-UHFFFAOYSA-N 2 2 341.459 1.947 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000371478509 446882112 /nfs/dbraw/zinc/88/21/12/446882112.db2.gz XUGZHNOGWZVFEJ-SFHVURJKSA-N 2 2 337.508 1.822 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000371478509 446882121 /nfs/dbraw/zinc/88/21/21/446882121.db2.gz XUGZHNOGWZVFEJ-SFHVURJKSA-N 2 2 337.508 1.822 20 0 EDADLP C[N@@H+]1CC[C@H]2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)[C@@H]2C1 ZINC000368489368 446893890 /nfs/dbraw/zinc/89/38/90/446893890.db2.gz ABWJPOJXOYXUQW-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+]1CC[C@H]2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)[C@@H]2C1 ZINC000368489368 446893895 /nfs/dbraw/zinc/89/38/95/446893895.db2.gz ABWJPOJXOYXUQW-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CC[C@H]2CC[N@H+](CCC(=O)NC(=O)NCc3ccccc3)[C@@H]2C1 ZINC000368489368 446893901 /nfs/dbraw/zinc/89/39/01/446893901.db2.gz ABWJPOJXOYXUQW-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CC[C@H]2CC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)[C@@H]2C1 ZINC000368489368 446893909 /nfs/dbraw/zinc/89/39/09/446893909.db2.gz ABWJPOJXOYXUQW-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP COC(=O)CNC(=O)C[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371503013 446896245 /nfs/dbraw/zinc/89/62/45/446896245.db2.gz DVAFUJSOTRXSQX-UHFFFAOYSA-N 2 2 339.480 1.251 20 0 EDADLP COC(=O)CNC(=O)C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371503013 446896251 /nfs/dbraw/zinc/89/62/51/446896251.db2.gz DVAFUJSOTRXSQX-UHFFFAOYSA-N 2 2 339.480 1.251 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)CCn3cc[nH+]c3)C2)nc(C)[nH+]1 ZINC000368515286 446913101 /nfs/dbraw/zinc/91/31/01/446913101.db2.gz IJOYLVFQLDBEHA-HNNXBMFYSA-N 2 2 328.420 1.465 20 0 EDADLP O=C1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C2CC2)N1 ZINC000420958023 446927636 /nfs/dbraw/zinc/92/76/36/446927636.db2.gz DLZYJJHLDRMSGX-UYAOXDASSA-N 2 2 343.471 1.666 20 0 EDADLP CN1CCO[C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@H]21 ZINC000420968179 446939006 /nfs/dbraw/zinc/93/90/06/446939006.db2.gz VOUJSBFALQIWRX-WOJBJXKFSA-N 2 2 345.487 1.424 20 0 EDADLP CN1CCO[C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@H]21 ZINC000420968179 446939010 /nfs/dbraw/zinc/93/90/10/446939010.db2.gz VOUJSBFALQIWRX-WOJBJXKFSA-N 2 2 345.487 1.424 20 0 EDADLP CON1CCC([N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420981362 446956781 /nfs/dbraw/zinc/95/67/81/446956781.db2.gz YAIYZRSWFUQVOK-UHFFFAOYSA-N 2 2 333.476 1.976 20 0 EDADLP CON1CCC([N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420981362 446956785 /nfs/dbraw/zinc/95/67/85/446956785.db2.gz YAIYZRSWFUQVOK-UHFFFAOYSA-N 2 2 333.476 1.976 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCn3nc(C)nc32)CC1 ZINC000368592774 446965564 /nfs/dbraw/zinc/96/55/64/446965564.db2.gz OMIARQRPQXSOQJ-OAHLLOKOSA-N 2 2 335.452 1.429 20 0 EDADLP C[C@@]1(O)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000375679059 446970378 /nfs/dbraw/zinc/97/03/78/446970378.db2.gz NNYIIQNFPOMXTN-GOSISDBHSA-N 2 2 335.448 1.161 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000368664849 447016682 /nfs/dbraw/zinc/01/66/82/447016682.db2.gz YZFAQGFMNYIDCD-OAHLLOKOSA-N 2 2 337.489 1.021 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000368664849 447016686 /nfs/dbraw/zinc/01/66/86/447016686.db2.gz YZFAQGFMNYIDCD-OAHLLOKOSA-N 2 2 337.489 1.021 20 0 EDADLP CC[N@H+](CC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000442845978 446986020 /nfs/dbraw/zinc/98/60/20/446986020.db2.gz VPDQTVDWYQJCEH-SFHVURJKSA-N 2 2 339.480 1.393 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000442845978 446986026 /nfs/dbraw/zinc/98/60/26/446986026.db2.gz VPDQTVDWYQJCEH-SFHVURJKSA-N 2 2 339.480 1.393 20 0 EDADLP CSC[C@H](O)C[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000372297949 447035607 /nfs/dbraw/zinc/03/56/07/447035607.db2.gz WTSJXLKKLGJYHA-OAHLLOKOSA-N 2 2 338.521 1.369 20 0 EDADLP Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000372352921 447045486 /nfs/dbraw/zinc/04/54/86/447045486.db2.gz AQIHEWJFDINXLA-LPHOPBHVSA-N 2 2 332.492 1.535 20 0 EDADLP Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000372352921 447045490 /nfs/dbraw/zinc/04/54/90/447045490.db2.gz AQIHEWJFDINXLA-LPHOPBHVSA-N 2 2 332.492 1.535 20 0 EDADLP Cc1ccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000372352921 447045493 /nfs/dbraw/zinc/04/54/93/447045493.db2.gz AQIHEWJFDINXLA-LPHOPBHVSA-N 2 2 332.492 1.535 20 0 EDADLP Cc1ccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000372352921 447045496 /nfs/dbraw/zinc/04/54/96/447045496.db2.gz AQIHEWJFDINXLA-LPHOPBHVSA-N 2 2 332.492 1.535 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000375794784 447055360 /nfs/dbraw/zinc/05/53/60/447055360.db2.gz LSRPCEQMLOSRGI-ZIAGYGMSSA-N 2 2 328.420 1.795 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000372461429 447064965 /nfs/dbraw/zinc/06/49/65/447064965.db2.gz CGPAZRMGKLSONL-SUNYJGFJSA-N 2 2 332.448 1.296 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000372527163 447112044 /nfs/dbraw/zinc/11/20/44/447112044.db2.gz NZBQASYCBBKVFY-DLBZAZTESA-N 2 2 346.475 1.405 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000372527163 447112047 /nfs/dbraw/zinc/11/20/47/447112047.db2.gz NZBQASYCBBKVFY-DLBZAZTESA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c[nH+]c(N(C)C)n3C)CC2)C[C@H](C)O1 ZINC000425322642 447115782 /nfs/dbraw/zinc/11/57/82/447115782.db2.gz HUCAPGIAIITOLW-IYBDPMFKSA-N 3 2 349.523 1.807 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c[nH+]c(N(C)C)n3C)CC2)C[C@H](C)O1 ZINC000425322642 447115789 /nfs/dbraw/zinc/11/57/89/447115789.db2.gz HUCAPGIAIITOLW-IYBDPMFKSA-N 3 2 349.523 1.807 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CC1(C)C ZINC000419315237 447078566 /nfs/dbraw/zinc/07/85/66/447078566.db2.gz JPVGTLYFEXGGAT-LSDHHAIUSA-N 2 2 325.497 1.628 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)nc[nH+]2)C1 ZINC000375905676 447136992 /nfs/dbraw/zinc/13/69/92/447136992.db2.gz NJLLYYBNYWDMHL-IXDOHACOSA-N 2 2 345.491 1.748 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nccnc3OC)CC2)CC1 ZINC000421380382 447145959 /nfs/dbraw/zinc/14/59/59/447145959.db2.gz VNWZFTNBKAUWLD-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nccnc3OC)CC2)CC1 ZINC000421380382 447145968 /nfs/dbraw/zinc/14/59/68/447145968.db2.gz VNWZFTNBKAUWLD-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3nccnc3OC)CC2)CC1 ZINC000421380382 447145977 /nfs/dbraw/zinc/14/59/77/447145977.db2.gz VNWZFTNBKAUWLD-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3nccnc3OC)CC2)CC1 ZINC000421380382 447145982 /nfs/dbraw/zinc/14/59/82/447145982.db2.gz VNWZFTNBKAUWLD-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372569780 447149305 /nfs/dbraw/zinc/14/93/05/447149305.db2.gz JTAYGBUKLGSPQA-INIZCTEOSA-N 2 2 347.463 1.072 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372569780 447149306 /nfs/dbraw/zinc/14/93/06/447149306.db2.gz JTAYGBUKLGSPQA-INIZCTEOSA-N 2 2 347.463 1.072 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CC[C@H](O)c3ccccc3)CC2)C(=O)C1 ZINC000377484966 447155554 /nfs/dbraw/zinc/15/55/54/447155554.db2.gz NGYRODHRBIKYEG-SFHVURJKSA-N 2 2 331.460 1.349 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CC[C@H](O)c3ccccc3)CC2)C(=O)C1 ZINC000377484966 447155558 /nfs/dbraw/zinc/15/55/58/447155558.db2.gz NGYRODHRBIKYEG-SFHVURJKSA-N 2 2 331.460 1.349 20 0 EDADLP CC(C)[N@H+]1CCc2nc(CN3CC[NH+](C[C@@H](C)O)CC3)sc2C1 ZINC000368879825 447176020 /nfs/dbraw/zinc/17/60/20/447176020.db2.gz KWQSMMDHNVKONL-CQSZACIVSA-N 2 2 338.521 1.408 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(CN3CC[NH+](C[C@@H](C)O)CC3)sc2C1 ZINC000368879825 447176026 /nfs/dbraw/zinc/17/60/26/447176026.db2.gz KWQSMMDHNVKONL-CQSZACIVSA-N 2 2 338.521 1.408 20 0 EDADLP C[N@H+](Cc1cc(C(N)=O)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624992 447253121 /nfs/dbraw/zinc/25/31/21/447253121.db2.gz KEOHSQIKGUJJDU-OAHLLOKOSA-N 2 2 336.505 1.447 20 0 EDADLP C[N@@H+](Cc1cc(C(N)=O)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624992 447253125 /nfs/dbraw/zinc/25/31/25/447253125.db2.gz KEOHSQIKGUJJDU-OAHLLOKOSA-N 2 2 336.505 1.447 20 0 EDADLP CN(Cc1cc(C(N)=O)cs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377624992 447253130 /nfs/dbraw/zinc/25/31/30/447253130.db2.gz KEOHSQIKGUJJDU-OAHLLOKOSA-N 2 2 336.505 1.447 20 0 EDADLP CN(Cc1cc(C(N)=O)cs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377624992 447253134 /nfs/dbraw/zinc/25/31/34/447253134.db2.gz KEOHSQIKGUJJDU-OAHLLOKOSA-N 2 2 336.505 1.447 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000368953045 447220736 /nfs/dbraw/zinc/22/07/36/447220736.db2.gz ZNWPJUYKQFYLNN-AWEZNQCLSA-N 2 2 330.432 1.260 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000421703195 447223367 /nfs/dbraw/zinc/22/33/67/447223367.db2.gz LUTCJZPOVRCNEM-KRWDZBQOSA-N 2 2 331.460 1.685 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000421703195 447223373 /nfs/dbraw/zinc/22/33/73/447223373.db2.gz LUTCJZPOVRCNEM-KRWDZBQOSA-N 2 2 331.460 1.685 20 0 EDADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC[C@@H]1O ZINC000446058705 447223664 /nfs/dbraw/zinc/22/36/64/447223664.db2.gz CAYGQIQXXIJROC-INIZCTEOSA-N 2 2 335.448 1.017 20 0 EDADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC[C@@H]1O ZINC000446058705 447223673 /nfs/dbraw/zinc/22/36/73/447223673.db2.gz CAYGQIQXXIJROC-INIZCTEOSA-N 2 2 335.448 1.017 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)[C@H](C)O1 ZINC000446071205 447226894 /nfs/dbraw/zinc/22/68/94/447226894.db2.gz IPFRELLJVSBGFZ-MUQADHOPSA-N 2 2 333.476 1.903 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)[C@H](C)O1 ZINC000446071205 447226902 /nfs/dbraw/zinc/22/69/02/447226902.db2.gz IPFRELLJVSBGFZ-MUQADHOPSA-N 2 2 333.476 1.903 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000376046085 447231582 /nfs/dbraw/zinc/23/15/82/447231582.db2.gz YJFWBYKNTRQHLO-MRXNPFEDSA-N 2 2 341.459 1.952 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000377628440 447255486 /nfs/dbraw/zinc/25/54/86/447255486.db2.gz SUVUWCMJFLFUNG-UHFFFAOYSA-N 2 2 333.432 1.528 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[NH+](C4CC4)CC3)CC2)cs1 ZINC000377614721 447245093 /nfs/dbraw/zinc/24/50/93/447245093.db2.gz KEORUKVHJKFVBD-UHFFFAOYSA-N 2 2 348.516 1.970 20 0 EDADLP CCc1ncc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cn1 ZINC000414293124 447287931 /nfs/dbraw/zinc/28/79/31/447287931.db2.gz MDEGAXMJVSHAOS-UHFFFAOYSA-N 2 2 340.475 2.577 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000377683196 447292564 /nfs/dbraw/zinc/29/25/64/447292564.db2.gz ZIXPOJMMCQMIOX-INIZCTEOSA-N 2 2 325.416 1.500 20 0 EDADLP CN1c2ccc(C[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc2CCC1=O ZINC000369020306 447268069 /nfs/dbraw/zinc/26/80/69/447268069.db2.gz WJLJEEIBXVLGJJ-IRXDYDNUSA-N 2 2 329.444 1.548 20 0 EDADLP CN1c2ccc(C[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2CCC1=O ZINC000369020306 447268073 /nfs/dbraw/zinc/26/80/73/447268073.db2.gz WJLJEEIBXVLGJJ-IRXDYDNUSA-N 2 2 329.444 1.548 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cn1C ZINC000377652478 447273625 /nfs/dbraw/zinc/27/36/25/447273625.db2.gz KXPGFLAIFOVACK-NVXWUHKLSA-N 2 2 348.491 1.270 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cn1C ZINC000377652478 447273630 /nfs/dbraw/zinc/27/36/30/447273630.db2.gz KXPGFLAIFOVACK-NVXWUHKLSA-N 2 2 348.491 1.270 20 0 EDADLP [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CC1 ZINC000415455651 447449231 /nfs/dbraw/zinc/44/92/31/447449231.db2.gz PPZPNIFKUPGJTR-MRXNPFEDSA-N 2 2 340.383 1.666 20 0 EDADLP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000380168663 447456438 /nfs/dbraw/zinc/45/64/38/447456438.db2.gz WJRGUZJSTKVJFK-JKSUJKDBSA-N 2 2 342.528 1.905 20 0 EDADLP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000380168663 447456444 /nfs/dbraw/zinc/45/64/44/447456444.db2.gz WJRGUZJSTKVJFK-JKSUJKDBSA-N 2 2 342.528 1.905 20 0 EDADLP CN(C)c1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)[nH+]c2ccccc21 ZINC000450353075 447463811 /nfs/dbraw/zinc/46/38/11/447463811.db2.gz DEJDWERJOAXYOI-HNNXBMFYSA-N 2 2 341.459 1.854 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415497478 447480458 /nfs/dbraw/zinc/48/04/58/447480458.db2.gz HUELTNITGBQLSG-MRXNPFEDSA-N 2 2 343.431 1.643 20 0 EDADLP CCC[C@@H](CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)OC ZINC000458927647 447505936 /nfs/dbraw/zinc/50/59/36/447505936.db2.gz XNYXSCOFOKKIDA-WBVHZDCISA-N 2 2 340.512 1.611 20 0 EDADLP CCC[C@@H](CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)OC ZINC000458927647 447505938 /nfs/dbraw/zinc/50/59/38/447505938.db2.gz XNYXSCOFOKKIDA-WBVHZDCISA-N 2 2 340.512 1.611 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)n2)nn1 ZINC000450503489 447509699 /nfs/dbraw/zinc/50/96/99/447509699.db2.gz RUDAKBIIJJPBDW-GXTWGEPZSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)n2)nn1 ZINC000450503489 447509704 /nfs/dbraw/zinc/50/97/04/447509704.db2.gz RUDAKBIIJJPBDW-GXTWGEPZSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)n2)nn1 ZINC000450503489 447509709 /nfs/dbraw/zinc/50/97/09/447509709.db2.gz RUDAKBIIJJPBDW-GXTWGEPZSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)n2)nn1 ZINC000450503489 447509716 /nfs/dbraw/zinc/50/97/16/447509716.db2.gz RUDAKBIIJJPBDW-GXTWGEPZSA-N 2 2 344.419 1.451 20 0 EDADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000495068393 447474877 /nfs/dbraw/zinc/47/48/77/447474877.db2.gz RRAXQTJAJALPSJ-OAGGEKHMSA-N 2 2 340.512 1.467 20 0 EDADLP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000495068393 447474879 /nfs/dbraw/zinc/47/48/79/447474879.db2.gz RRAXQTJAJALPSJ-OAGGEKHMSA-N 2 2 340.512 1.467 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079160 447475263 /nfs/dbraw/zinc/47/52/63/447475263.db2.gz MTTPZFALFLSXDL-HZPDHXFCSA-N 2 2 348.495 1.603 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079160 447475269 /nfs/dbraw/zinc/47/52/69/447475269.db2.gz MTTPZFALFLSXDL-HZPDHXFCSA-N 2 2 348.495 1.603 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000450798288 447580433 /nfs/dbraw/zinc/58/04/33/447580433.db2.gz YPBDTSCBHWQFDW-OAGGEKHMSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000450798288 447580439 /nfs/dbraw/zinc/58/04/39/447580439.db2.gz YPBDTSCBHWQFDW-OAGGEKHMSA-N 2 2 347.463 1.103 20 0 EDADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)ncn1 ZINC000450568154 447528941 /nfs/dbraw/zinc/52/89/41/447528941.db2.gz NLALWVKPIFFZAE-NSHDSACASA-N 2 2 341.375 1.638 20 0 EDADLP COc1cc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)ncn1 ZINC000450568154 447528949 /nfs/dbraw/zinc/52/89/49/447528949.db2.gz NLALWVKPIFFZAE-NSHDSACASA-N 2 2 341.375 1.638 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398172109 447556138 /nfs/dbraw/zinc/55/61/38/447556138.db2.gz UXVVRKNCZWCHID-KCITZHQASA-N 2 2 336.476 1.651 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398172109 447556142 /nfs/dbraw/zinc/55/61/42/447556142.db2.gz UXVVRKNCZWCHID-KCITZHQASA-N 2 2 336.476 1.651 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400421663 447571952 /nfs/dbraw/zinc/57/19/52/447571952.db2.gz XBEXCGWOIPVUMV-ARFHVFGLSA-N 2 2 340.512 1.467 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400421663 447571961 /nfs/dbraw/zinc/57/19/61/447571961.db2.gz XBEXCGWOIPVUMV-ARFHVFGLSA-N 2 2 340.512 1.467 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC000459340421 447638830 /nfs/dbraw/zinc/63/88/30/447638830.db2.gz DGKLBSTUYNSEAO-OAHLLOKOSA-N 2 2 348.495 1.240 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(CC(N)=O)nn2)CC1 ZINC000459340421 447638836 /nfs/dbraw/zinc/63/88/36/447638836.db2.gz DGKLBSTUYNSEAO-OAHLLOKOSA-N 2 2 348.495 1.240 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)c2sccc2C[NH+](C)C)CCO1 ZINC000427767861 447644622 /nfs/dbraw/zinc/64/46/22/447644622.db2.gz QISDQJWDXHIURK-CQSZACIVSA-N 2 2 325.478 1.650 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2sccc2C[NH+](C)C)CCO1 ZINC000427767861 447644627 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1.858 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416910403 447706800 /nfs/dbraw/zinc/70/68/00/447706800.db2.gz AVBUOCURIPTICF-OAHLLOKOSA-N 2 2 335.452 1.091 20 0 EDADLP O=S(=O)(CC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000459426095 447662653 /nfs/dbraw/zinc/66/26/53/447662653.db2.gz CVFJJHBZICCNEB-UHFFFAOYSA-N 2 2 326.437 1.816 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641949 447685453 /nfs/dbraw/zinc/68/54/53/447685453.db2.gz YTSDRMUFOAUTQU-ILXRZTDVSA-N 2 2 347.459 1.741 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641949 447685457 /nfs/dbraw/zinc/68/54/57/447685457.db2.gz YTSDRMUFOAUTQU-ILXRZTDVSA-N 2 2 347.459 1.741 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416807961 447688179 /nfs/dbraw/zinc/68/81/79/447688179.db2.gz HOXQJCVIUGWXOA-WBVHZDCISA-N 2 2 334.464 1.314 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416807961 447688186 /nfs/dbraw/zinc/68/81/86/447688186.db2.gz HOXQJCVIUGWXOA-WBVHZDCISA-N 2 2 334.464 1.314 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416814839 447690880 /nfs/dbraw/zinc/69/08/80/447690880.db2.gz NOMWQMQFSAYXOG-SJLPKXTDSA-N 2 2 346.475 1.186 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416814839 447690885 /nfs/dbraw/zinc/69/08/85/447690885.db2.gz NOMWQMQFSAYXOG-SJLPKXTDSA-N 2 2 346.475 1.186 20 0 EDADLP CN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F)C1CC([NH3+])C1 ZINC000416920936 447710388 /nfs/dbraw/zinc/71/03/88/447710388.db2.gz UMGRFWKUPXFYCO-QOZQQMKHSA-N 2 2 331.395 1.780 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000416939170 447715877 /nfs/dbraw/zinc/71/58/77/447715877.db2.gz MNYIIRDEYWSZRU-CVEARBPZSA-N 2 2 331.464 1.999 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000422716463 447726760 /nfs/dbraw/zinc/72/67/60/447726760.db2.gz 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c1cnn(-c2ccc(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000422824815 447760854 /nfs/dbraw/zinc/76/08/54/447760854.db2.gz OMXHSCVAOQANCD-OALUTQOASA-N 2 2 326.444 1.771 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422849820 447769506 /nfs/dbraw/zinc/76/95/06/447769506.db2.gz MJWFXWKYSUVPFU-MSOLQXFVSA-N 2 2 339.524 1.626 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000422849820 447769508 /nfs/dbraw/zinc/76/95/08/447769508.db2.gz MJWFXWKYSUVPFU-MSOLQXFVSA-N 3 2 339.524 1.626 20 0 EDADLP COCCOc1cc(C)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422871847 447770579 /nfs/dbraw/zinc/77/05/79/447770579.db2.gz ZWSFZIPNLMALQS-OALUTQOASA-N 2 2 334.460 1.877 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000430554393 447777230 /nfs/dbraw/zinc/77/72/30/447777230.db2.gz MXDFVWOWNPZMKD-LJQANCHMSA-N 3 2 346.475 1.174 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000430555026 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KGIVAHUSQYTHMI-OAHLLOKOSA-N 2 2 348.447 1.011 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@H]3CC[NH2+]CC[C@H]3C)c[nH+]2)CC1 ZINC000497257898 448013503 /nfs/dbraw/zinc/01/35/03/448013503.db2.gz AVIJXHZJTIKESN-ZBFHGGJFSA-N 2 2 347.463 1.770 20 0 EDADLP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1=O ZINC000576338042 448030273 /nfs/dbraw/zinc/03/02/73/448030273.db2.gz FOADUJDNXBOOKU-ILXRZTDVSA-N 2 2 333.432 1.157 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1F ZINC000576848160 448154045 /nfs/dbraw/zinc/15/40/45/448154045.db2.gz SZSYMVIIKUTGRP-UHOFOFEASA-N 2 2 343.406 1.652 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491792146 448124996 /nfs/dbraw/zinc/12/49/96/448124996.db2.gz GWQBDHSJRLIKLP-MTIYJEKLSA-N 2 2 339.443 1.248 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000491792146 448125003 /nfs/dbraw/zinc/12/50/03/448125003.db2.gz GWQBDHSJRLIKLP-MTIYJEKLSA-N 2 2 339.443 1.248 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000576927835 448171719 /nfs/dbraw/zinc/17/17/19/448171719.db2.gz DDMLMMUHVYWAPD-KZNAEPCWSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC000514986160 448236078 /nfs/dbraw/zinc/23/60/78/448236078.db2.gz DJKFZEQARHMRDT-NPYXIHBLSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC000514986160 448236082 /nfs/dbraw/zinc/23/60/82/448236082.db2.gz DJKFZEQARHMRDT-NPYXIHBLSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000514986160 448236087 /nfs/dbraw/zinc/23/60/87/448236087.db2.gz DJKFZEQARHMRDT-NPYXIHBLSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000514986160 448236090 /nfs/dbraw/zinc/23/60/90/448236090.db2.gz DJKFZEQARHMRDT-NPYXIHBLSA-N 2 2 338.496 1.412 20 0 EDADLP CC(C)NC(=O)NCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000571914022 448236121 /nfs/dbraw/zinc/23/61/21/448236121.db2.gz YORBBWIINCSEEJ-IRXDYDNUSA-N 2 2 339.528 1.184 20 0 EDADLP Cc1nc(N)c(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c[nH+]1 ZINC000560499466 448222019 /nfs/dbraw/zinc/22/20/19/448222019.db2.gz VGOYXUFLVKCOGR-UHFFFAOYSA-N 2 2 325.416 1.893 20 0 EDADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571985073 448252732 /nfs/dbraw/zinc/25/27/32/448252732.db2.gz WADMJHXDDSDVRR-KLZNWCGWSA-N 2 2 330.432 1.632 20 0 EDADLP Cc1cc(C)c(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c[nH+]1 ZINC000562610283 448261881 /nfs/dbraw/zinc/26/18/81/448261881.db2.gz DZLKGNAWSJPHNB-UHFFFAOYSA-N 2 2 342.447 2.483 20 0 EDADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCOCC1 ZINC000532488772 448264121 /nfs/dbraw/zinc/26/41/21/448264121.db2.gz XSSISVOFJVDLOM-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCOCC1 ZINC000532488772 448264127 /nfs/dbraw/zinc/26/41/27/448264127.db2.gz XSSISVOFJVDLOM-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000515140114 448264554 /nfs/dbraw/zinc/26/45/54/448264554.db2.gz DDRUDTQSSBCSAT-CQSZACIVSA-N 2 2 328.420 1.836 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)[C@@H](C[NH3+])C1 ZINC000582895204 448371406 /nfs/dbraw/zinc/37/14/06/448371406.db2.gz VZNHLRZEHUFSCD-JQWIXIFHSA-N 2 2 342.365 1.376 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)[C@@H](C[NH3+])C1 ZINC000582895204 448371416 /nfs/dbraw/zinc/37/14/16/448371416.db2.gz VZNHLRZEHUFSCD-JQWIXIFHSA-N 2 2 342.365 1.376 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000582830246 448349857 /nfs/dbraw/zinc/34/98/57/448349857.db2.gz MLAWADFZBISVRA-JKSUJKDBSA-N 2 2 326.485 1.079 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000582830246 448349864 /nfs/dbraw/zinc/34/98/64/448349864.db2.gz MLAWADFZBISVRA-JKSUJKDBSA-N 2 2 326.485 1.079 20 0 EDADLP COCCC[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582835427 448353480 /nfs/dbraw/zinc/35/34/80/448353480.db2.gz RJSCZZLCZPFMAE-MSOLQXFVSA-N 2 2 348.491 1.309 20 0 EDADLP COCCC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582835427 448353485 /nfs/dbraw/zinc/35/34/85/448353485.db2.gz RJSCZZLCZPFMAE-MSOLQXFVSA-N 2 2 348.491 1.309 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000591409573 448354975 /nfs/dbraw/zinc/35/49/75/448354975.db2.gz UCDMTKWMGFITPQ-KBAYOESNSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000591409573 448354979 /nfs/dbraw/zinc/35/49/79/448354979.db2.gz UCDMTKWMGFITPQ-KBAYOESNSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000591409573 448354985 /nfs/dbraw/zinc/35/49/85/448354985.db2.gz UCDMTKWMGFITPQ-KBAYOESNSA-N 2 2 346.475 1.452 20 0 EDADLP Cc1c[nH+]cn1CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000527940521 448393942 /nfs/dbraw/zinc/39/39/42/448393942.db2.gz ABKFJWPTZRCIKA-UHFFFAOYSA-N 2 2 327.432 1.578 20 0 EDADLP Cc1c[nH+]cn1CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000527940521 448393949 /nfs/dbraw/zinc/39/39/49/448393949.db2.gz ABKFJWPTZRCIKA-UHFFFAOYSA-N 2 2 327.432 1.578 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1=O ZINC000516188669 448395792 /nfs/dbraw/zinc/39/57/92/448395792.db2.gz OHUBKKOBRKZMLT-ZIAGYGMSSA-N 2 2 347.463 1.094 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1=O ZINC000516188669 448395797 /nfs/dbraw/zinc/39/57/97/448395797.db2.gz OHUBKKOBRKZMLT-ZIAGYGMSSA-N 2 2 347.463 1.094 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000533390045 448397056 /nfs/dbraw/zinc/39/70/56/448397056.db2.gz URRUPTUMUGPMAD-CVEARBPZSA-N 2 2 340.427 1.709 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000533390045 448397061 /nfs/dbraw/zinc/39/70/61/448397061.db2.gz URRUPTUMUGPMAD-CVEARBPZSA-N 2 2 340.427 1.709 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)[C@H](C[NH3+])C1 ZINC000566200319 448414076 /nfs/dbraw/zinc/41/40/76/448414076.db2.gz OAOORTOZLBGVNB-CQSZACIVSA-N 2 2 326.400 1.169 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)[C@H](C[NH3+])C1 ZINC000566200319 448414081 /nfs/dbraw/zinc/41/40/81/448414081.db2.gz OAOORTOZLBGVNB-CQSZACIVSA-N 2 2 326.400 1.169 20 0 EDADLP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516528804 448432256 /nfs/dbraw/zinc/43/22/56/448432256.db2.gz OLPTVBDWEQHIBK-CQSZACIVSA-N 2 2 325.416 1.510 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000516568422 448440310 /nfs/dbraw/zinc/44/03/10/448440310.db2.gz BXFUCRAKEXALGX-OAGGEKHMSA-N 2 2 339.480 1.285 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000516568422 448440315 /nfs/dbraw/zinc/44/03/15/448440315.db2.gz BXFUCRAKEXALGX-OAGGEKHMSA-N 2 2 339.480 1.285 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000578013267 448440987 /nfs/dbraw/zinc/44/09/87/448440987.db2.gz KCPBABWDYJBXQU-HUUCEWRRSA-N 2 2 349.479 1.144 20 0 EDADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)C(C)C ZINC000566306705 448441848 /nfs/dbraw/zinc/44/18/48/448441848.db2.gz WLOCOHPWFAPYGQ-MRXNPFEDSA-N 2 2 339.524 1.847 20 0 EDADLP CCCOc1c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1OCC ZINC000578083899 448459178 /nfs/dbraw/zinc/45/91/78/448459178.db2.gz ISLRWFJTVVPKTR-JKSUJKDBSA-N 2 2 347.459 1.618 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2)C1CC1 ZINC000578127206 448466680 /nfs/dbraw/zinc/46/66/80/448466680.db2.gz HWSYXNQIQCAWBC-GFCCVEGCSA-N 2 2 344.358 1.561 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2)C1CC1 ZINC000578127206 448466684 /nfs/dbraw/zinc/46/66/84/448466684.db2.gz HWSYXNQIQCAWBC-GFCCVEGCSA-N 2 2 344.358 1.561 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000578154297 448474240 /nfs/dbraw/zinc/47/42/40/448474240.db2.gz YJPIBUHZTBYWGT-CQSZACIVSA-N 2 2 337.387 1.659 20 0 EDADLP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000591733755 448476705 /nfs/dbraw/zinc/47/67/05/448476705.db2.gz HRGBOUMJOTVLLH-HOTGVXAUSA-N 2 2 336.432 1.287 20 0 EDADLP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000591733755 448476710 /nfs/dbraw/zinc/47/67/10/448476710.db2.gz HRGBOUMJOTVLLH-HOTGVXAUSA-N 2 2 336.432 1.287 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000516934871 448502168 /nfs/dbraw/zinc/50/21/68/448502168.db2.gz AQZZUKSJCZGRJQ-WBVHZDCISA-N 2 2 341.459 1.343 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000516934871 448502173 /nfs/dbraw/zinc/50/21/73/448502173.db2.gz AQZZUKSJCZGRJQ-WBVHZDCISA-N 2 2 341.459 1.343 20 0 EDADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566551018 448505075 /nfs/dbraw/zinc/50/50/75/448505075.db2.gz UFRKFRWNNSTNML-SFHVURJKSA-N 3 2 347.507 1.313 20 0 EDADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566551018 448505080 /nfs/dbraw/zinc/50/50/80/448505080.db2.gz UFRKFRWNNSTNML-SFHVURJKSA-N 3 2 347.507 1.313 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000516976810 448514333 /nfs/dbraw/zinc/51/43/33/448514333.db2.gz RJMIFRLKPPQNJC-ZIAGYGMSSA-N 2 2 328.420 1.883 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000516976810 448514338 /nfs/dbraw/zinc/51/43/38/448514338.db2.gz RJMIFRLKPPQNJC-ZIAGYGMSSA-N 2 2 328.420 1.883 20 0 EDADLP O[C@@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869291 448516309 /nfs/dbraw/zinc/51/63/09/448516309.db2.gz OPZULRKDRYHDEY-HUUCEWRRSA-N 2 2 345.399 1.689 20 0 EDADLP O[C@@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869291 448516317 /nfs/dbraw/zinc/51/63/17/448516317.db2.gz OPZULRKDRYHDEY-HUUCEWRRSA-N 2 2 345.399 1.689 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000584411590 448518263 /nfs/dbraw/zinc/51/82/63/448518263.db2.gz QISGMMKZYQNABE-WBVHZDCISA-N 2 2 341.415 1.236 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578334031 448520652 /nfs/dbraw/zinc/52/06/52/448520652.db2.gz OIWFHRZFKBMXPX-LZLYRXPVSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578334031 448520655 /nfs/dbraw/zinc/52/06/55/448520655.db2.gz OIWFHRZFKBMXPX-LZLYRXPVSA-N 2 2 346.475 1.279 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000517019725 448525455 /nfs/dbraw/zinc/52/54/55/448525455.db2.gz JFDHZLUGZZGEBS-UHOFOFEASA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000517019725 448525461 /nfs/dbraw/zinc/52/54/61/448525461.db2.gz JFDHZLUGZZGEBS-UHOFOFEASA-N 2 2 338.402 1.761 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000573200141 448566507 /nfs/dbraw/zinc/56/65/07/448566507.db2.gz YTYBYURKEFWEMK-SOAMZJECSA-N 2 2 349.519 1.567 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000573200141 448566511 /nfs/dbraw/zinc/56/65/11/448566511.db2.gz YTYBYURKEFWEMK-SOAMZJECSA-N 2 2 349.519 1.567 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CCC(=O)OC)CC2)CC1 ZINC000517274331 448568290 /nfs/dbraw/zinc/56/82/90/448568290.db2.gz PRPBSDXTUDHOOF-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)n[nH]1 ZINC000573098030 448543331 /nfs/dbraw/zinc/54/33/31/448543331.db2.gz RUKQHEMUONAPRG-OAHLLOKOSA-N 2 2 344.463 1.990 20 0 EDADLP C[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000567060098 448607292 /nfs/dbraw/zinc/60/72/92/448607292.db2.gz ODUPCHKQHMFHHM-PKOBYXMFSA-N 2 2 345.487 1.386 20 0 EDADLP Clc1cnn2cc(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cnc12 ZINC000517730924 448609304 /nfs/dbraw/zinc/60/93/04/448609304.db2.gz MOGUKPAJVXWRRH-GJZGRUSLSA-N 2 2 335.839 1.282 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000573281626 448585999 /nfs/dbraw/zinc/58/59/99/448585999.db2.gz FURNHJVETAGJRK-WBVHZDCISA-N 2 2 347.507 1.398 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000573281626 448586003 /nfs/dbraw/zinc/58/60/03/448586003.db2.gz FURNHJVETAGJRK-WBVHZDCISA-N 2 2 347.507 1.398 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2CC[NH2+]CC2)[NH+]2CCOCC2)s1 ZINC000517539627 448590776 /nfs/dbraw/zinc/59/07/76/448590776.db2.gz PHJCJKWLVMAXNQ-AWEZNQCLSA-N 2 2 338.477 1.045 20 0 EDADLP C[C@]1(C2CC2)NC(=O)N(c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])c2)C1=O ZINC000573474152 448637413 /nfs/dbraw/zinc/63/74/13/448637413.db2.gz QRZSEDRMHMNFHH-FRQCXROJSA-N 2 2 342.443 1.881 20 0 EDADLP Cc1csc(=O)n1CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528732258 448650841 /nfs/dbraw/zinc/65/08/41/448650841.db2.gz XQNGXIMHFQBIBY-UHFFFAOYSA-N 2 2 325.478 1.405 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)n1cc[nH+]c1 ZINC000578872516 448658174 /nfs/dbraw/zinc/65/81/74/448658174.db2.gz YYZORBGUPLIFQP-CQSZACIVSA-N 2 2 328.420 1.620 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000528679621 448627192 /nfs/dbraw/zinc/62/71/92/448627192.db2.gz HRZARLSWCFDXJI-CQSZACIVSA-N 2 2 345.403 1.072 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H]2[N@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC000573676823 448687064 /nfs/dbraw/zinc/68/70/64/448687064.db2.gz MWBAJVDJRYOMIS-QBPKDAKJSA-N 2 2 327.513 1.167 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC000573676823 448687065 /nfs/dbraw/zinc/68/70/65/448687065.db2.gz MWBAJVDJRYOMIS-QBPKDAKJSA-N 2 2 327.513 1.167 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC[N@H+](CCOC)C1 ZINC000592105935 448687715 /nfs/dbraw/zinc/68/77/15/448687715.db2.gz ZWMWFHRIPJFAQG-OAHLLOKOSA-N 2 2 344.459 1.826 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000592105935 448687721 /nfs/dbraw/zinc/68/77/21/448687721.db2.gz ZWMWFHRIPJFAQG-OAHLLOKOSA-N 2 2 344.459 1.826 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)CCCC[NH3+])c2[nH+]ccn2C)c1 ZINC000579001587 448690758 /nfs/dbraw/zinc/69/07/58/448690758.db2.gz KSPWTHXOOLRXMI-KRWDZBQOSA-N 2 2 346.431 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000573824298 448724925 /nfs/dbraw/zinc/72/49/25/448724925.db2.gz RGKNPLILIDCPNI-IBGZPJMESA-N 2 2 331.460 1.429 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000573824298 448724931 /nfs/dbraw/zinc/72/49/31/448724931.db2.gz RGKNPLILIDCPNI-IBGZPJMESA-N 2 2 331.460 1.429 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000579139288 448725991 /nfs/dbraw/zinc/72/59/91/448725991.db2.gz CIPDTSLOKLHMKD-OAHLLOKOSA-N 2 2 342.443 1.737 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000579138186 448726278 /nfs/dbraw/zinc/72/62/78/448726278.db2.gz NTHFMSXVXGBDOC-MAUKXSAKSA-N 2 2 341.459 1.359 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000579138186 448726285 /nfs/dbraw/zinc/72/62/85/448726285.db2.gz NTHFMSXVXGBDOC-MAUKXSAKSA-N 2 2 341.459 1.359 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000519058892 448736563 /nfs/dbraw/zinc/73/65/63/448736563.db2.gz DLAPNQJHSGYDAL-UHFFFAOYSA-N 2 2 348.495 1.046 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000519068003 448737711 /nfs/dbraw/zinc/73/77/11/448737711.db2.gz BDPJAAVHKNHBNF-INIZCTEOSA-N 2 2 335.496 1.343 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000519068003 448737713 /nfs/dbraw/zinc/73/77/13/448737713.db2.gz BDPJAAVHKNHBNF-INIZCTEOSA-N 2 2 335.496 1.343 20 0 EDADLP CC(C)CC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000567708883 448744201 /nfs/dbraw/zinc/74/42/01/448744201.db2.gz YRUFHYYRNIADFN-HMQMGEFJSA-N 2 2 325.497 1.457 20 0 EDADLP CC(C)CC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000567708883 448744207 /nfs/dbraw/zinc/74/42/07/448744207.db2.gz YRUFHYYRNIADFN-HMQMGEFJSA-N 2 2 325.497 1.457 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000573931403 448751285 /nfs/dbraw/zinc/75/12/85/448751285.db2.gz UKGWDPQCRBJHTG-HNNXBMFYSA-N 2 2 332.448 1.595 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000573931403 448751290 /nfs/dbraw/zinc/75/12/90/448751290.db2.gz UKGWDPQCRBJHTG-HNNXBMFYSA-N 2 2 332.448 1.595 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000545860433 448802591 /nfs/dbraw/zinc/80/25/91/448802591.db2.gz KAKHLZMGQWOQGB-INIZCTEOSA-N 2 2 329.448 1.612 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000545860433 448802594 /nfs/dbraw/zinc/80/25/94/448802594.db2.gz KAKHLZMGQWOQGB-INIZCTEOSA-N 2 2 329.448 1.612 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)CCO1 ZINC000519631414 448806087 /nfs/dbraw/zinc/80/60/87/448806087.db2.gz AMWJYOJBSBLWIT-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)CCO1 ZINC000519631414 448806093 /nfs/dbraw/zinc/80/60/93/448806093.db2.gz AMWJYOJBSBLWIT-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000519631414 448806099 /nfs/dbraw/zinc/80/60/99/448806099.db2.gz AMWJYOJBSBLWIT-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000519631414 448806105 /nfs/dbraw/zinc/80/61/05/448806105.db2.gz AMWJYOJBSBLWIT-INIZCTEOSA-N 2 2 331.460 1.272 20 0 EDADLP [NH3+][C@@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1c(F)cccc1F ZINC000519634424 448806765 /nfs/dbraw/zinc/80/67/65/448806765.db2.gz KECDIEKVJMZUTA-MGPLVRAMSA-N 2 2 332.354 1.814 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000574175915 448810561 /nfs/dbraw/zinc/81/05/61/448810561.db2.gz XEIDFSQAZBRADI-HNNXBMFYSA-N 2 2 347.463 1.738 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000574112665 448794606 /nfs/dbraw/zinc/79/46/06/448794606.db2.gz RABMQAORAFCCSE-CQSZACIVSA-N 2 2 334.445 1.238 20 0 EDADLP CCNc1nc(NCC2CC[NH+](C3CC3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000568097178 448816094 /nfs/dbraw/zinc/81/60/94/448816094.db2.gz NYDVTJRTWCJBJR-UHFFFAOYSA-N 2 2 347.511 1.644 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NCC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000568097178 448816100 /nfs/dbraw/zinc/81/61/00/448816100.db2.gz NYDVTJRTWCJBJR-UHFFFAOYSA-N 2 2 347.511 1.644 20 0 EDADLP CCNc1nc(NCC2CC[NH+](C3CC3)CC2)[nH+]c(NC(C)(C)C)n1 ZINC000568097178 448816106 /nfs/dbraw/zinc/81/61/06/448816106.db2.gz NYDVTJRTWCJBJR-UHFFFAOYSA-N 2 2 347.511 1.644 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000568166676 448827484 /nfs/dbraw/zinc/82/74/84/448827484.db2.gz PZYJENTVQQOMSD-GDBMZVCRSA-N 2 2 340.427 1.849 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000568166676 448827489 /nfs/dbraw/zinc/82/74/89/448827489.db2.gz PZYJENTVQQOMSD-GDBMZVCRSA-N 2 2 340.427 1.849 20 0 EDADLP COc1ccc(NC(=O)CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000568166453 448828420 /nfs/dbraw/zinc/82/84/20/448828420.db2.gz LFDVQGRLWMTRON-UHFFFAOYSA-N 2 2 329.404 1.569 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547673984 448911460 /nfs/dbraw/zinc/91/14/60/448911460.db2.gz FKZXEASIAAZKAH-IAGOWNOFSA-N 2 2 341.459 1.670 20 0 EDADLP CCN(CC)S(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000574634083 448920206 /nfs/dbraw/zinc/92/02/06/448920206.db2.gz IOKIZXHQKJMQGS-UHFFFAOYSA-N 2 2 346.541 1.065 20 0 EDADLP CCN(CC)S(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000574634083 448920209 /nfs/dbraw/zinc/92/02/09/448920209.db2.gz IOKIZXHQKJMQGS-UHFFFAOYSA-N 2 2 346.541 1.065 20 0 EDADLP Cc1[nH]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)[nH+]c1C ZINC000579973842 448926861 /nfs/dbraw/zinc/92/68/61/448926861.db2.gz NGWWGVHSYDFPGG-ZWKOTPCHSA-N 2 2 328.460 1.999 20 0 EDADLP Cc1[nH]c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)[nH+]c1C ZINC000579973842 448926866 /nfs/dbraw/zinc/92/68/66/448926866.db2.gz NGWWGVHSYDFPGG-ZWKOTPCHSA-N 2 2 328.460 1.999 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000579832256 448889014 /nfs/dbraw/zinc/88/90/14/448889014.db2.gz SJEKMFIHKBULEK-MJBXVCDLSA-N 2 2 332.448 1.452 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000579849089 448895971 /nfs/dbraw/zinc/89/59/71/448895971.db2.gz JBWPZDJIPPRXDE-ZACQAIPSSA-N 2 2 330.476 1.441 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000579849089 448895977 /nfs/dbraw/zinc/89/59/77/448895977.db2.gz JBWPZDJIPPRXDE-ZACQAIPSSA-N 2 2 330.476 1.441 20 0 EDADLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000574803626 448959155 /nfs/dbraw/zinc/95/91/55/448959155.db2.gz OIOHMRQLMVVWFH-HNNXBMFYSA-N 2 2 333.480 1.509 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000548082323 448980431 /nfs/dbraw/zinc/98/04/31/448980431.db2.gz QXEXXHMDCAQDRS-OAHLLOKOSA-N 2 2 332.448 1.400 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000522319323 449076926 /nfs/dbraw/zinc/07/69/26/449076926.db2.gz TTYORAUCSYQMEI-UHFFFAOYSA-N 2 2 337.468 1.416 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215260 449084177 /nfs/dbraw/zinc/08/41/77/449084177.db2.gz GCKARHPIDUODTL-DGCLKSJQSA-N 2 2 340.265 1.874 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000582230599 449042987 /nfs/dbraw/zinc/04/29/87/449042987.db2.gz JKCUYKUCEMVAJB-MSOLQXFVSA-N 2 2 346.475 1.063 20 0 EDADLP CSC1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[NH+](C)CC1 ZINC000589651535 449046392 /nfs/dbraw/zinc/04/63/92/449046392.db2.gz NWQJPTNSFNLGJJ-UHFFFAOYSA-N 2 2 345.472 1.825 20 0 EDADLP COC(=O)c1ccc(C(C)C)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000582289159 449057266 /nfs/dbraw/zinc/05/72/66/449057266.db2.gz DMDAFUAFKHZRNT-CQSZACIVSA-N 2 2 348.447 1.703 20 0 EDADLP COC(=O)c1ccc(C(C)C)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000582289159 449057274 /nfs/dbraw/zinc/05/72/74/449057274.db2.gz DMDAFUAFKHZRNT-CQSZACIVSA-N 2 2 348.447 1.703 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1 ZINC000530231734 449089559 /nfs/dbraw/zinc/08/95/59/449089559.db2.gz LHKCUKTTXKASPN-SFHVURJKSA-N 2 2 347.503 1.924 20 0 EDADLP CCOC(=O)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc1 ZINC000590705393 449254353 /nfs/dbraw/zinc/25/43/53/449254353.db2.gz YZRKWISOCZMBPE-GOSISDBHSA-N 2 2 346.475 1.470 20 0 EDADLP CCOC(=O)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)nc1 ZINC000590705393 449254356 /nfs/dbraw/zinc/25/43/56/449254356.db2.gz YZRKWISOCZMBPE-GOSISDBHSA-N 2 2 346.475 1.470 20 0 EDADLP CS[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590925576 449346049 /nfs/dbraw/zinc/34/60/49/449346049.db2.gz HGSDYRWVBGAOSS-ZFWWWQNUSA-N 2 2 326.510 1.302 20 0 EDADLP CS[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590925576 449346050 /nfs/dbraw/zinc/34/60/50/449346050.db2.gz HGSDYRWVBGAOSS-ZFWWWQNUSA-N 2 2 326.510 1.302 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000602107019 449350578 /nfs/dbraw/zinc/35/05/78/449350578.db2.gz JAZAKEAPBXSQNN-ZBFHGGJFSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000602107019 449350584 /nfs/dbraw/zinc/35/05/84/449350584.db2.gz JAZAKEAPBXSQNN-ZBFHGGJFSA-N 2 2 337.464 1.099 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NCC[NH+]3CCSCC3)CC2)[nH+]c1 ZINC000602182421 449413105 /nfs/dbraw/zinc/41/31/05/449413105.db2.gz YWCSKIRYLKNCHB-UHFFFAOYSA-N 2 2 348.516 1.771 20 0 EDADLP Cc1cc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)n(C2CC[NH+](C)CC2)n1 ZINC000612048879 449539354 /nfs/dbraw/zinc/53/93/54/449539354.db2.gz FUMFGCADWTYZHX-ZDUSSCGKSA-N 2 2 342.447 1.925 20 0 EDADLP Cc1cc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)n(C2CC[NH+](C)CC2)n1 ZINC000612048879 449539362 /nfs/dbraw/zinc/53/93/62/449539362.db2.gz FUMFGCADWTYZHX-ZDUSSCGKSA-N 2 2 342.447 1.925 20 0 EDADLP c1cn(-c2cc(N3CCC(C[NH+]4CCOCC4)CC3)ncn2)c[nH+]1 ZINC000607058349 449568020 /nfs/dbraw/zinc/56/80/20/449568020.db2.gz BSXVVBSXWSDVRD-UHFFFAOYSA-N 2 2 328.420 1.211 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000614331773 449562919 /nfs/dbraw/zinc/56/29/19/449562919.db2.gz SINJMCDTRSZEGV-CYBMUJFWSA-N 2 2 344.463 1.591 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000614331773 449562926 /nfs/dbraw/zinc/56/29/26/449562926.db2.gz SINJMCDTRSZEGV-CYBMUJFWSA-N 2 2 344.463 1.591 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)n1C ZINC000602489016 449629586 /nfs/dbraw/zinc/62/95/86/449629586.db2.gz YETIABLICQAIGS-UKPHBRMFSA-N 2 2 335.448 1.495 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)n1C ZINC000602489016 449629595 /nfs/dbraw/zinc/62/95/95/449629595.db2.gz YETIABLICQAIGS-UKPHBRMFSA-N 2 2 335.448 1.495 20 0 EDADLP COC(=O)c1[nH]c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000602484835 449626657 /nfs/dbraw/zinc/62/66/57/449626657.db2.gz IXSFOITWLBHCLL-ARFHVFGLSA-N 2 2 335.448 1.793 20 0 EDADLP COC(=O)c1[nH]c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000602484835 449626661 /nfs/dbraw/zinc/62/66/61/449626661.db2.gz IXSFOITWLBHCLL-ARFHVFGLSA-N 2 2 335.448 1.793 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000617506525 449651877 /nfs/dbraw/zinc/65/18/77/449651877.db2.gz QRUNUEKMJNVORE-NSHDSACASA-N 2 2 329.391 1.672 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000617506525 449651880 /nfs/dbraw/zinc/65/18/80/449651880.db2.gz QRUNUEKMJNVORE-NSHDSACASA-N 2 2 329.391 1.672 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc([S@](C)=O)cc1 ZINC000599063013 449713851 /nfs/dbraw/zinc/71/38/51/449713851.db2.gz WGQAZQBTRQQZQT-LTJFPGKXSA-N 2 2 337.489 1.414 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc([S@](C)=O)cc1 ZINC000599063013 449713855 /nfs/dbraw/zinc/71/38/55/449713855.db2.gz WGQAZQBTRQQZQT-LTJFPGKXSA-N 2 2 337.489 1.414 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000608358637 449818205 /nfs/dbraw/zinc/81/82/05/449818205.db2.gz MJQXCJPYJFHNNP-MRXNPFEDSA-N 2 2 334.464 1.909 20 0 EDADLP COc1ccc(C(C)(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617765753 449826587 /nfs/dbraw/zinc/82/65/87/449826587.db2.gz OWDGTGVSRQTZPS-UHFFFAOYSA-N 2 2 335.492 1.973 20 0 EDADLP COc1ccc(C(C)(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617765753 449826591 /nfs/dbraw/zinc/82/65/91/449826591.db2.gz OWDGTGVSRQTZPS-UHFFFAOYSA-N 2 2 335.492 1.973 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000617766608 449829274 /nfs/dbraw/zinc/82/92/74/449829274.db2.gz QWUPVJQBNYKGOH-UHFFFAOYSA-N 2 2 348.422 1.693 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000617766608 449829281 /nfs/dbraw/zinc/82/92/81/449829281.db2.gz QWUPVJQBNYKGOH-UHFFFAOYSA-N 2 2 348.422 1.693 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000617766337 449829567 /nfs/dbraw/zinc/82/95/67/449829567.db2.gz GWHNPSOEOCZZGJ-AZUAARDMSA-N 2 2 329.488 1.890 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000617766337 449829571 /nfs/dbraw/zinc/82/95/71/449829571.db2.gz GWHNPSOEOCZZGJ-AZUAARDMSA-N 2 2 329.488 1.890 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000617768692 449834168 /nfs/dbraw/zinc/83/41/68/449834168.db2.gz QGKUVGQTLSEUMX-UHFFFAOYSA-N 2 2 329.448 1.690 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000617768692 449834177 /nfs/dbraw/zinc/83/41/77/449834177.db2.gz QGKUVGQTLSEUMX-UHFFFAOYSA-N 2 2 329.448 1.690 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)CO1 ZINC000617734741 449796837 /nfs/dbraw/zinc/79/68/37/449796837.db2.gz HGIVKPZIGAOYHS-LMMKCTJWSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)CO1 ZINC000617734741 449796843 /nfs/dbraw/zinc/79/68/43/449796843.db2.gz HGIVKPZIGAOYHS-LMMKCTJWSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C)CO1 ZINC000617734741 449796848 /nfs/dbraw/zinc/79/68/48/449796848.db2.gz HGIVKPZIGAOYHS-LMMKCTJWSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C)CO1 ZINC000617734741 449796853 /nfs/dbraw/zinc/79/68/53/449796853.db2.gz HGIVKPZIGAOYHS-LMMKCTJWSA-N 2 2 345.487 1.876 20 0 EDADLP Cc1cccn2cc(CC(=O)NCC[N@H+]3C[C@H](C)OC[C@@H]3C)[nH+]c12 ZINC000617735478 449798359 /nfs/dbraw/zinc/79/83/59/449798359.db2.gz QCVJGNMMWLVGGX-GJZGRUSLSA-N 2 2 330.432 1.411 20 0 EDADLP Cc1cccn2cc(CC(=O)NCC[N@@H+]3C[C@H](C)OC[C@@H]3C)[nH+]c12 ZINC000617735478 449798364 /nfs/dbraw/zinc/79/83/64/449798364.db2.gz QCVJGNMMWLVGGX-GJZGRUSLSA-N 2 2 330.432 1.411 20 0 EDADLP CCc1oc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C(=O)OC ZINC000597226050 449881968 /nfs/dbraw/zinc/88/19/68/449881968.db2.gz KMUCVCJKBQRIHT-CQSZACIVSA-N 2 2 336.432 1.972 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000618191865 450047565 /nfs/dbraw/zinc/04/75/65/450047565.db2.gz VPYMPPLIPZTOSR-UHFFFAOYSA-N 2 2 338.455 1.856 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000618191865 450047566 /nfs/dbraw/zinc/04/75/66/450047566.db2.gz VPYMPPLIPZTOSR-UHFFFAOYSA-N 2 2 338.455 1.856 20 0 EDADLP Cc1cc(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)[nH]1 ZINC000610394366 450205512 /nfs/dbraw/zinc/20/55/12/450205512.db2.gz OXLRSBQEMCVRSJ-KRWDZBQOSA-N 2 2 332.492 1.915 20 0 EDADLP Cc1cc(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)[nH]1 ZINC000610394366 450205519 /nfs/dbraw/zinc/20/55/19/450205519.db2.gz OXLRSBQEMCVRSJ-KRWDZBQOSA-N 2 2 332.492 1.915 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)ccn12 ZINC000620473815 450495493 /nfs/dbraw/zinc/49/54/93/450495493.db2.gz ADCHCHQLECLZGR-INIZCTEOSA-N 2 2 328.416 1.314 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)ccn12 ZINC000620473815 450495497 /nfs/dbraw/zinc/49/54/97/450495497.db2.gz ADCHCHQLECLZGR-INIZCTEOSA-N 2 2 328.416 1.314 20 0 EDADLP CN(CCOCC[NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000625835953 450518597 /nfs/dbraw/zinc/51/85/97/450518597.db2.gz ZWNHTRWFAUYUNC-UHFFFAOYSA-N 2 2 341.481 1.568 20 0 EDADLP C[C@@H](NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000620596408 450518641 /nfs/dbraw/zinc/51/86/41/450518641.db2.gz QEFDZDFLVMCEDM-NVXWUHKLSA-N 2 2 341.459 1.586 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623425350 450520074 /nfs/dbraw/zinc/52/00/74/450520074.db2.gz YXPGWANGSDRGOT-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623425350 450520075 /nfs/dbraw/zinc/52/00/75/450520075.db2.gz YXPGWANGSDRGOT-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000626088449 450573201 /nfs/dbraw/zinc/57/32/01/450573201.db2.gz YKQBSRKEEZPLGO-KRWDZBQOSA-N 2 2 326.481 1.759 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000620773171 450542448 /nfs/dbraw/zinc/54/24/48/450542448.db2.gz ROXYCBUYNKIRSY-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000620773171 450542450 /nfs/dbraw/zinc/54/24/50/450542450.db2.gz ROXYCBUYNKIRSY-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620773171 450542453 /nfs/dbraw/zinc/54/24/53/450542453.db2.gz ROXYCBUYNKIRSY-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000620773171 450542454 /nfs/dbraw/zinc/54/24/54/450542454.db2.gz ROXYCBUYNKIRSY-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP COc1nc2ccccc2cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619074 450552956 /nfs/dbraw/zinc/55/29/56/450552956.db2.gz QCXTXYVFDGLIPY-KRWDZBQOSA-N 2 2 342.443 1.673 20 0 EDADLP COc1nc2ccccc2cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619074 450552958 /nfs/dbraw/zinc/55/29/58/450552958.db2.gz QCXTXYVFDGLIPY-KRWDZBQOSA-N 2 2 342.443 1.673 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000620929706 450563317 /nfs/dbraw/zinc/56/33/17/450563317.db2.gz HWEYIWIQMIZYEE-UHFFFAOYSA-N 2 2 340.431 1.514 20 0 EDADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000626145260 450583054 /nfs/dbraw/zinc/58/30/54/450583054.db2.gz KONQPUKYZKKBLJ-BBWFWOEESA-N 2 2 346.431 1.291 20 0 EDADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000626145260 450583056 /nfs/dbraw/zinc/58/30/56/450583056.db2.gz KONQPUKYZKKBLJ-BBWFWOEESA-N 2 2 346.431 1.291 20 0 EDADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000632999463 450600967 /nfs/dbraw/zinc/60/09/67/450600967.db2.gz ZDHWWSSTHKJDTB-MRXNPFEDSA-N 2 2 328.416 1.653 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC[N@@H+]1C ZINC000631580080 450664293 /nfs/dbraw/zinc/66/42/93/450664293.db2.gz GASWCNDNMUANES-HRCADAONSA-N 2 2 333.480 1.460 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC[N@H+]1C ZINC000631580080 450664296 /nfs/dbraw/zinc/66/42/96/450664296.db2.gz GASWCNDNMUANES-HRCADAONSA-N 2 2 333.480 1.460 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000635137795 450683057 /nfs/dbraw/zinc/68/30/57/450683057.db2.gz RSFKXOWNZYCRAD-OALUTQOASA-N 2 2 345.487 1.969 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000635137795 450683060 /nfs/dbraw/zinc/68/30/60/450683060.db2.gz RSFKXOWNZYCRAD-OALUTQOASA-N 2 2 345.487 1.969 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000635138054 450683221 /nfs/dbraw/zinc/68/32/21/450683221.db2.gz UOQLPOGGCFJZSK-PKOBYXMFSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000635138054 450683226 /nfs/dbraw/zinc/68/32/26/450683226.db2.gz UOQLPOGGCFJZSK-PKOBYXMFSA-N 2 2 345.487 1.826 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC[N@@H+]1CCOC ZINC000626320134 450685442 /nfs/dbraw/zinc/68/54/42/450685442.db2.gz LTRPPRAPUMKENP-IRXDYDNUSA-N 2 2 348.491 1.713 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC[N@H+]1CCOC ZINC000626320134 450685445 /nfs/dbraw/zinc/68/54/45/450685445.db2.gz LTRPPRAPUMKENP-IRXDYDNUSA-N 2 2 348.491 1.713 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000635140698 450687266 /nfs/dbraw/zinc/68/72/66/450687266.db2.gz IXMFLEFVOIJXTA-MSOLQXFVSA-N 2 2 331.460 1.660 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000635140698 450687270 /nfs/dbraw/zinc/68/72/70/450687270.db2.gz IXMFLEFVOIJXTA-MSOLQXFVSA-N 2 2 331.460 1.660 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000631637264 450688406 /nfs/dbraw/zinc/68/84/06/450688406.db2.gz SHTYCNWYRALWNE-UHFFFAOYSA-N 2 2 337.489 1.228 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000631639417 450689579 /nfs/dbraw/zinc/68/95/79/450689579.db2.gz MLPMMURNUXDSNI-HNNXBMFYSA-N 2 2 340.427 1.871 20 0 EDADLP Cc1cn2ccc(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)cc2[nH+]1 ZINC000635175433 450719824 /nfs/dbraw/zinc/71/98/24/450719824.db2.gz XWCDEQQNPFUWKR-INIZCTEOSA-N 2 2 330.432 1.729 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000629527548 450726531 /nfs/dbraw/zinc/72/65/31/450726531.db2.gz YIVBETCZYDIPGP-VHDGCEQUSA-N 2 2 325.478 1.742 20 0 EDADLP C(c1nc(C2CCCC2)no1)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000629552370 450732250 /nfs/dbraw/zinc/73/22/50/450732250.db2.gz IOEDALVFSKRIJW-MRXNPFEDSA-N 2 2 334.464 1.970 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000629592918 450753657 /nfs/dbraw/zinc/75/36/57/450753657.db2.gz HLNJVTNASMHTNO-AEGPPILISA-N 2 2 333.398 1.719 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000629592918 450753658 /nfs/dbraw/zinc/75/36/58/450753658.db2.gz HLNJVTNASMHTNO-AEGPPILISA-N 2 2 333.398 1.719 20 0 EDADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000624227048 450755024 /nfs/dbraw/zinc/75/50/24/450755024.db2.gz FEISTUISRMLNEX-WMLDXEAASA-N 2 2 334.464 1.934 20 0 EDADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000624227048 450755031 /nfs/dbraw/zinc/75/50/31/450755031.db2.gz FEISTUISRMLNEX-WMLDXEAASA-N 2 2 334.464 1.934 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCCc3cn(C)c[nH+]3)C2)cc1 ZINC000633299146 450784100 /nfs/dbraw/zinc/78/41/00/450784100.db2.gz RPJBQUXTJIRQNS-GOSISDBHSA-N 2 2 341.459 1.845 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCCc3cn(C)c[nH+]3)C2)cc1 ZINC000633299146 450784104 /nfs/dbraw/zinc/78/41/04/450784104.db2.gz RPJBQUXTJIRQNS-GOSISDBHSA-N 2 2 341.459 1.845 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000631858996 450829815 /nfs/dbraw/zinc/82/98/15/450829815.db2.gz HPXVJZMJPZIWSH-RYUDHWBXSA-N 2 2 337.420 1.463 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1OC ZINC000631858996 450829819 /nfs/dbraw/zinc/82/98/19/450829819.db2.gz HPXVJZMJPZIWSH-RYUDHWBXSA-N 2 2 337.420 1.463 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1)c1ccccc1 ZINC000631866569 450835375 /nfs/dbraw/zinc/83/53/75/450835375.db2.gz RTGZRTLWIDJXAJ-CVEARBPZSA-N 2 2 333.476 1.341 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)c2ccccc21 ZINC000621762716 450859809 /nfs/dbraw/zinc/85/98/09/450859809.db2.gz JJRVIKFEMZUSNG-SJLPKXTDSA-N 2 2 331.460 1.921 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)c2ccccc21 ZINC000621762716 450859811 /nfs/dbraw/zinc/85/98/11/450859811.db2.gz JJRVIKFEMZUSNG-SJLPKXTDSA-N 2 2 331.460 1.921 20 0 EDADLP O=C1N[C@H]2C[N@H+](Cc3cncc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000621776003 450863601 /nfs/dbraw/zinc/86/36/01/450863601.db2.gz AAXIYSJUIAYCKX-HOTGVXAUSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@H]2C[N@@H+](Cc3cncc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000621776003 450863605 /nfs/dbraw/zinc/86/36/05/450863605.db2.gz AAXIYSJUIAYCKX-HOTGVXAUSA-N 2 2 349.866 1.455 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000621779211 450865128 /nfs/dbraw/zinc/86/51/28/450865128.db2.gz BNNAUQDSQUJCGA-ZBQZNYHESA-N 2 2 347.459 1.522 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000621779211 450865133 /nfs/dbraw/zinc/86/51/33/450865133.db2.gz BNNAUQDSQUJCGA-ZBQZNYHESA-N 2 2 347.459 1.522 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635348856 450873014 /nfs/dbraw/zinc/87/30/14/450873014.db2.gz MONABGKMQLXVFB-UONOGXRCSA-N 2 2 326.400 1.935 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635348856 450873019 /nfs/dbraw/zinc/87/30/19/450873019.db2.gz MONABGKMQLXVFB-UONOGXRCSA-N 2 2 326.400 1.935 20 0 EDADLP Cc1[nH]c2nc[nH+]c(NC[C@]3(CO)COCC4(CCC4)[N@H+]3C)c2c1C ZINC000624508298 450874202 /nfs/dbraw/zinc/87/42/02/450874202.db2.gz AKDYGOWOCMPGPJ-SFHVURJKSA-N 2 2 345.447 1.602 20 0 EDADLP Cc1[nH]c2nc[nH+]c(NC[C@]3(CO)COCC4(CCC4)[N@@H+]3C)c2c1C ZINC000624508298 450874203 /nfs/dbraw/zinc/87/42/03/450874203.db2.gz AKDYGOWOCMPGPJ-SFHVURJKSA-N 2 2 345.447 1.602 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629958260 450916372 /nfs/dbraw/zinc/91/63/72/450916372.db2.gz KOOLVTMLVQXQJV-UHFFFAOYSA-N 2 2 333.480 1.422 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629958260 450916376 /nfs/dbraw/zinc/91/63/76/450916376.db2.gz KOOLVTMLVQXQJV-UHFFFAOYSA-N 2 2 333.480 1.422 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cncnc1 ZINC000629974866 450929224 /nfs/dbraw/zinc/92/92/24/450929224.db2.gz LCLAENLGRKUPQW-NAZJXLNTSA-N 2 2 343.475 1.350 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cncnc1 ZINC000629974866 450929228 /nfs/dbraw/zinc/92/92/28/450929228.db2.gz LCLAENLGRKUPQW-NAZJXLNTSA-N 2 2 343.475 1.350 20 0 EDADLP CCc1nc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cc(C)[nH+]1 ZINC000624708291 450958741 /nfs/dbraw/zinc/95/87/41/450958741.db2.gz SZZNLJNBLMFPGM-INIZCTEOSA-N 2 2 327.432 2.055 20 0 EDADLP CCc1nc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cc(C)[nH+]1 ZINC000624708291 450958744 /nfs/dbraw/zinc/95/87/44/450958744.db2.gz SZZNLJNBLMFPGM-INIZCTEOSA-N 2 2 327.432 2.055 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)C[C@@](C)(O)C3CC3)CC2)c1 ZINC000630035671 450965852 /nfs/dbraw/zinc/96/58/52/450965852.db2.gz FNWDCWLRCINRBU-MAUKXSAKSA-N 2 2 335.448 1.124 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635478390 450976411 /nfs/dbraw/zinc/97/64/11/450976411.db2.gz CFGZDAUYYNWNIB-LBPRGKRZSA-N 2 2 334.342 1.167 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000622005010 450983433 /nfs/dbraw/zinc/98/34/33/450983433.db2.gz XQWLXHBNPJGSKQ-DNVCBOLYSA-N 2 2 347.459 1.523 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1OC ZINC000622005010 450983438 /nfs/dbraw/zinc/98/34/38/450983438.db2.gz XQWLXHBNPJGSKQ-DNVCBOLYSA-N 2 2 347.459 1.523 20 0 EDADLP C[NH2+]CCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000626926600 451009605 /nfs/dbraw/zinc/00/96/05/451009605.db2.gz BMOLQQNNYNUVMJ-OAHLLOKOSA-N 2 2 331.420 1.045 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000627906526 451014867 /nfs/dbraw/zinc/01/48/67/451014867.db2.gz AGADKKRVAIXPSB-OAHLLOKOSA-N 2 2 341.415 1.406 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)CC1 ZINC000635541438 451036647 /nfs/dbraw/zinc/03/66/47/451036647.db2.gz NYLNSQOTMKGVGE-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)CC1 ZINC000635541438 451036652 /nfs/dbraw/zinc/03/66/52/451036652.db2.gz NYLNSQOTMKGVGE-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635541438 451036658 /nfs/dbraw/zinc/03/66/58/451036658.db2.gz NYLNSQOTMKGVGE-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635541438 451036663 /nfs/dbraw/zinc/03/66/63/451036663.db2.gz NYLNSQOTMKGVGE-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000635558784 451055326 /nfs/dbraw/zinc/05/53/26/451055326.db2.gz NZLRLIAUAFXJFQ-UHFFFAOYSA-N 2 2 335.496 1.396 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000635558784 451055330 /nfs/dbraw/zinc/05/53/30/451055330.db2.gz NZLRLIAUAFXJFQ-UHFFFAOYSA-N 2 2 335.496 1.396 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632180928 451095838 /nfs/dbraw/zinc/09/58/38/451095838.db2.gz QPAKCINFMHPDDV-UHFFFAOYSA-N 2 2 328.482 1.444 20 0 EDADLP Cc1cc(NCCNC(=O)NCCC[NH2+]C2CC2)nc(C(C)C)[nH+]1 ZINC000627065129 451109024 /nfs/dbraw/zinc/10/90/24/451109024.db2.gz ZPBMWUYTNBXEMV-UHFFFAOYSA-N 2 2 334.468 1.762 20 0 EDADLP C[NH2+]CCOCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000627174966 451164847 /nfs/dbraw/zinc/16/48/47/451164847.db2.gz QRLZTFXSJJVAHL-VMPITWQZSA-N 2 2 346.475 1.263 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000628168790 451166588 /nfs/dbraw/zinc/16/65/88/451166588.db2.gz HXRWHCJKRWZDDM-DLBZAZTESA-N 2 2 330.476 1.992 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000628168790 451166597 /nfs/dbraw/zinc/16/65/97/451166597.db2.gz HXRWHCJKRWZDDM-DLBZAZTESA-N 2 2 330.476 1.992 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC3CC3)C1)CC2 ZINC000628168793 451166774 /nfs/dbraw/zinc/16/67/74/451166774.db2.gz HXRWHCJKRWZDDM-SJORKVTESA-N 2 2 330.476 1.992 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC3CC3)C1)CC2 ZINC000628168793 451166779 /nfs/dbraw/zinc/16/67/79/451166779.db2.gz HXRWHCJKRWZDDM-SJORKVTESA-N 2 2 330.476 1.992 20 0 EDADLP CCCN1C[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1=O ZINC000634194064 451230108 /nfs/dbraw/zinc/23/01/08/451230108.db2.gz JGFUXGIJMIARNP-AWEZNQCLSA-N 2 2 345.447 1.030 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000635722471 451198359 /nfs/dbraw/zinc/19/83/59/451198359.db2.gz BARWYQAFTBZYFN-UHFFFAOYSA-N 2 2 336.480 1.823 20 0 EDADLP CC(C)CCC(=O)NCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194253 451230544 /nfs/dbraw/zinc/23/05/44/451230544.db2.gz IQCPYJICVDNAEU-UHFFFAOYSA-N 2 2 347.463 1.324 20 0 EDADLP C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1ccnn1C ZINC000634194543 451230638 /nfs/dbraw/zinc/23/06/38/451230638.db2.gz ORYYKSIQJDQNLD-ZDUSSCGKSA-N 2 2 328.420 1.309 20 0 EDADLP COC1CC[NH+](Cc2cn(CCC[NH+]3CCSCC3)nn2)CC1 ZINC000630590096 451266758 /nfs/dbraw/zinc/26/67/58/451266758.db2.gz TWPFUXRDTURHFD-UHFFFAOYSA-N 2 2 339.509 1.328 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302945 451286969 /nfs/dbraw/zinc/28/69/69/451286969.db2.gz ZYDUPGNQSYVWIL-UHFFFAOYSA-N 2 2 345.472 1.928 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCn1cc(COc2ccccc2N)nn1 ZINC000630610396 451274668 /nfs/dbraw/zinc/27/46/68/451274668.db2.gz JYYVIBWARLWUAE-UHFFFAOYSA-N 2 2 332.452 1.323 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(COc2ccccc2N)nn1 ZINC000630610396 451274672 /nfs/dbraw/zinc/27/46/72/451274672.db2.gz JYYVIBWARLWUAE-UHFFFAOYSA-N 2 2 332.452 1.323 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000636535064 451277937 /nfs/dbraw/zinc/27/79/37/451277937.db2.gz QVNKLTDEURSGFL-INIZCTEOSA-N 2 2 340.431 1.167 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H](C)[NH+](C)C)c2)CC1 ZINC000635830829 451280228 /nfs/dbraw/zinc/28/02/28/451280228.db2.gz RFJMHPXVFFSLED-CQSZACIVSA-N 2 2 332.448 1.239 20 0 EDADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000632370136 451232108 /nfs/dbraw/zinc/23/21/08/451232108.db2.gz VVIIJHVHLBHTES-ZBFHGGJFSA-N 2 2 348.472 1.645 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000638122642 451292315 /nfs/dbraw/zinc/29/23/15/451292315.db2.gz NRVSTDQIKDMXQB-INIZCTEOSA-N 2 2 337.489 1.642 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000638122642 451292323 /nfs/dbraw/zinc/29/23/23/451292323.db2.gz NRVSTDQIKDMXQB-INIZCTEOSA-N 2 2 337.489 1.642 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638128239 451299209 /nfs/dbraw/zinc/29/92/09/451299209.db2.gz QWMKCMZCKOWHPE-HNNXBMFYSA-N 2 2 325.478 1.498 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638128239 451299211 /nfs/dbraw/zinc/29/92/11/451299211.db2.gz QWMKCMZCKOWHPE-HNNXBMFYSA-N 2 2 325.478 1.498 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638128239 451299215 /nfs/dbraw/zinc/29/92/15/451299215.db2.gz QWMKCMZCKOWHPE-HNNXBMFYSA-N 2 2 325.478 1.498 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638128239 451299218 /nfs/dbraw/zinc/29/92/18/451299218.db2.gz QWMKCMZCKOWHPE-HNNXBMFYSA-N 2 2 325.478 1.498 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000638137197 451310715 /nfs/dbraw/zinc/31/07/15/451310715.db2.gz SCDOYGPTEXGIHW-GOSISDBHSA-N 2 2 340.427 1.434 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@]3(C[NH3+])CCCOC3)c2)CC1 ZINC000638136925 451311050 /nfs/dbraw/zinc/31/10/50/451311050.db2.gz CKJOQSBMKIBLGM-IBGZPJMESA-N 2 2 346.475 1.128 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246291 451379559 /nfs/dbraw/zinc/37/95/59/451379559.db2.gz FFAHYZOMQSJZKO-UHFFFAOYSA-N 2 2 326.400 1.794 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]31)CCCC2 ZINC000638180321 451341865 /nfs/dbraw/zinc/34/18/65/451341865.db2.gz JZKIYQCHJHZUQZ-LSBZLQRGSA-N 2 2 332.492 1.982 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]31)CCCC2 ZINC000638180321 451341866 /nfs/dbraw/zinc/34/18/66/451341866.db2.gz JZKIYQCHJHZUQZ-LSBZLQRGSA-N 2 2 332.492 1.982 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)[C@]12CCCO2 ZINC000638280055 451398720 /nfs/dbraw/zinc/39/87/20/451398720.db2.gz ZRCNQHJJUWVDPG-BRSBDYLESA-N 2 2 326.481 1.659 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)[C@]12CCCO2 ZINC000638280055 451398723 /nfs/dbraw/zinc/39/87/23/451398723.db2.gz ZRCNQHJJUWVDPG-BRSBDYLESA-N 2 2 326.481 1.659 20 0 EDADLP CC[C@H]1CN(C(=O)c2cnc(C[NH3+])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000638300688 451415913 /nfs/dbraw/zinc/41/59/13/451415913.db2.gz VLRSELMUEDPVIC-KRWDZBQOSA-N 2 2 339.443 1.672 20 0 EDADLP CC[C@H]1CN(C(=O)c2cnc(C[NH3+])nc2)CC[N@H+]1Cc1ccccc1 ZINC000638300688 451415919 /nfs/dbraw/zinc/41/59/19/451415919.db2.gz VLRSELMUEDPVIC-KRWDZBQOSA-N 2 2 339.443 1.672 20 0 EDADLP CC(C)[C@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000638354217 451455127 /nfs/dbraw/zinc/45/51/27/451455127.db2.gz XPCMDRZILSDSLY-HNNXBMFYSA-N 2 2 345.553 1.947 20 0 EDADLP CN(C)c1cc(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000640610352 451456945 /nfs/dbraw/zinc/45/69/45/451456945.db2.gz IUXJGXGPPBNZEO-UHFFFAOYSA-N 2 2 349.479 1.970 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000634661370 451458471 /nfs/dbraw/zinc/45/84/71/451458471.db2.gz QAIPSVDRKKFSLU-AWEZNQCLSA-N 2 2 334.445 1.238 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634709783 451488685 /nfs/dbraw/zinc/48/86/85/451488685.db2.gz ODXNLCUKUFCCJP-AEFFLSMTSA-N 2 2 336.476 1.389 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634709783 451488687 /nfs/dbraw/zinc/48/86/87/451488687.db2.gz ODXNLCUKUFCCJP-AEFFLSMTSA-N 2 2 336.476 1.389 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000628924430 451489784 /nfs/dbraw/zinc/48/97/84/451489784.db2.gz VVAOCGHHQSUPBJ-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000628924430 451489788 /nfs/dbraw/zinc/48/97/88/451489788.db2.gz VVAOCGHHQSUPBJ-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000638407823 451495712 /nfs/dbraw/zinc/49/57/12/451495712.db2.gz XQYVLLPZMXEZPY-UIBIWLFHSA-N 2 2 349.475 1.144 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000638407823 451495715 /nfs/dbraw/zinc/49/57/15/451495715.db2.gz XQYVLLPZMXEZPY-UIBIWLFHSA-N 2 2 349.475 1.144 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000640597923 451442572 /nfs/dbraw/zinc/44/25/72/451442572.db2.gz JOOJSQGZNMCSOF-UHFFFAOYSA-N 2 2 347.463 1.866 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)CC1(O)CCOCC1 ZINC000634722223 451503442 /nfs/dbraw/zinc/50/34/42/451503442.db2.gz LUFFTGIOXKQLOQ-IRXDYDNUSA-N 2 2 326.481 1.276 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)CC1(O)CCOCC1 ZINC000634722223 451503445 /nfs/dbraw/zinc/50/34/45/451503445.db2.gz LUFFTGIOXKQLOQ-IRXDYDNUSA-N 2 2 326.481 1.276 20 0 EDADLP CCC[C@H](CCO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636790628 451511122 /nfs/dbraw/zinc/51/11/22/451511122.db2.gz AHFXPERPKRGRKF-CABCVRRESA-N 2 2 326.485 1.005 20 0 EDADLP CCC[C@H](CCO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636790628 451511124 /nfs/dbraw/zinc/51/11/24/451511124.db2.gz AHFXPERPKRGRKF-CABCVRRESA-N 2 2 326.485 1.005 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CCCN1 ZINC000638436792 451515263 /nfs/dbraw/zinc/51/52/63/451515263.db2.gz OAGCKKXWMNXRSM-QGZVFWFLSA-N 2 2 347.459 1.156 20 0 EDADLP Cc1nc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000631043185 451548574 /nfs/dbraw/zinc/54/85/74/451548574.db2.gz NBIJPQNCLMHJID-ZDUSSCGKSA-N 2 2 332.477 2.131 20 0 EDADLP Cc1nc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631059946 451561672 /nfs/dbraw/zinc/56/16/72/451561672.db2.gz SHFLFCITNNCHKS-ZDUSSCGKSA-N 2 2 326.448 2.028 20 0 EDADLP Cc1nc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631059946 451561676 /nfs/dbraw/zinc/56/16/76/451561676.db2.gz SHFLFCITNNCHKS-ZDUSSCGKSA-N 2 2 326.448 2.028 20 0 EDADLP Cc1nc(N)nc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[nH+]1 ZINC000631059946 451561681 /nfs/dbraw/zinc/56/16/81/451561681.db2.gz SHFLFCITNNCHKS-ZDUSSCGKSA-N 2 2 326.448 2.028 20 0 EDADLP Cc1nc(N)nc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[nH+]1 ZINC000631059946 451561687 /nfs/dbraw/zinc/56/16/87/451561687.db2.gz SHFLFCITNNCHKS-ZDUSSCGKSA-N 2 2 326.448 2.028 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCC[NH+]1CCSCC1 ZINC000631256013 451666208 /nfs/dbraw/zinc/66/62/08/451666208.db2.gz KMWXUEZZCCDHQI-UHFFFAOYSA-N 2 2 330.457 1.580 20 0 EDADLP CC[N@H+](CC(=O)N(C)CCOCC[NH3+])Cc1ccccc1Cl ZINC000638673281 451644318 /nfs/dbraw/zinc/64/43/18/451644318.db2.gz QTBVXUVAENZDTQ-UHFFFAOYSA-N 2 2 327.856 1.596 20 0 EDADLP CC[N@@H+](CC(=O)N(C)CCOCC[NH3+])Cc1ccccc1Cl ZINC000638673281 451644324 /nfs/dbraw/zinc/64/43/24/451644324.db2.gz QTBVXUVAENZDTQ-UHFFFAOYSA-N 2 2 327.856 1.596 20 0 EDADLP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636291957 451659997 /nfs/dbraw/zinc/65/99/97/451659997.db2.gz FHTNWHAAKPVWHI-IBGZPJMESA-N 2 2 342.487 1.785 20 0 EDADLP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636291957 451660003 /nfs/dbraw/zinc/66/00/03/451660003.db2.gz FHTNWHAAKPVWHI-IBGZPJMESA-N 2 2 342.487 1.785 20 0 EDADLP C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000637032394 451689736 /nfs/dbraw/zinc/68/97/36/451689736.db2.gz AEIMVPXMKKUSAZ-KKUMJFAQSA-N 2 2 331.464 1.760 20 0 EDADLP C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000637032394 451689738 /nfs/dbraw/zinc/68/97/38/451689738.db2.gz AEIMVPXMKKUSAZ-KKUMJFAQSA-N 2 2 331.464 1.760 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638786699 451692278 /nfs/dbraw/zinc/69/22/78/451692278.db2.gz UZHUZDFMTXTBBR-CVEARBPZSA-N 2 2 332.448 1.063 20 0 EDADLP COCC[C@@H]([NH3+])Cc1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC000640943304 451699778 /nfs/dbraw/zinc/69/97/78/451699778.db2.gz WYUQCAQIMUNECH-MRXNPFEDSA-N 2 2 340.431 1.478 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000638731949 451669855 /nfs/dbraw/zinc/66/98/55/451669855.db2.gz SCYZGJCJCNMBOC-QZTJIDSGSA-N 2 2 340.427 1.099 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000638731949 451669856 /nfs/dbraw/zinc/66/98/56/451669856.db2.gz SCYZGJCJCNMBOC-QZTJIDSGSA-N 2 2 340.427 1.099 20 0 EDADLP CN(C)c1cccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638985032 451746760 /nfs/dbraw/zinc/74/67/60/451746760.db2.gz XPRJKJNJRJENRT-UHFFFAOYSA-N 2 2 325.416 1.810 20 0 EDADLP C[C@@]1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC[NH2+]C1 ZINC000638990818 451749156 /nfs/dbraw/zinc/74/91/56/451749156.db2.gz QMNSNGVMDBGEEB-QGZVFWFLSA-N 2 2 334.489 1.641 20 0 EDADLP [NH3+][C@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)c1ccccc1 ZINC000639003006 451750558 /nfs/dbraw/zinc/75/05/58/451750558.db2.gz CMQVOFUAEKLBFL-GOSISDBHSA-N 2 2 339.443 1.253 20 0 EDADLP C[C@]1(C[NH2+]Cc2cnc(N)nc2N)CCC[N@@H+]1Cc1ccccc1 ZINC000639071607 451761445 /nfs/dbraw/zinc/76/14/45/451761445.db2.gz NDQYXMJPCQYXST-GOSISDBHSA-N 2 2 326.448 1.446 20 0 EDADLP C[C@]1(C[NH2+]Cc2cnc(N)nc2N)CCC[N@H+]1Cc1ccccc1 ZINC000639071607 451761447 /nfs/dbraw/zinc/76/14/47/451761447.db2.gz NDQYXMJPCQYXST-GOSISDBHSA-N 2 2 326.448 1.446 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000641164440 451766811 /nfs/dbraw/zinc/76/68/11/451766811.db2.gz ONYWIAMYWZRSGG-ROUUACIJSA-N 2 2 338.415 1.999 20 0 EDADLP C[NH+](C)[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000641286659 451810612 /nfs/dbraw/zinc/81/06/12/451810612.db2.gz BGMPPJKUWHDUHU-OAHLLOKOSA-N 2 2 340.424 1.245 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000641290298 451814339 /nfs/dbraw/zinc/81/43/39/451814339.db2.gz PJRWLLDGCFYCCO-UHFFFAOYSA-N 2 2 340.493 1.411 20 0 EDADLP O=c1c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cccn1C(F)F ZINC000639303616 451817070 /nfs/dbraw/zinc/81/70/70/451817070.db2.gz UFFWFMFXVZZIQC-OAHLLOKOSA-N 2 2 341.402 1.930 20 0 EDADLP O=c1c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cccn1C(F)F ZINC000639303616 451817078 /nfs/dbraw/zinc/81/70/78/451817078.db2.gz UFFWFMFXVZZIQC-OAHLLOKOSA-N 2 2 341.402 1.930 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651423734 451818817 /nfs/dbraw/zinc/81/88/17/451818817.db2.gz JSOUDILIYKERMY-INIZCTEOSA-N 2 2 330.476 1.952 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651423734 451818823 /nfs/dbraw/zinc/81/88/23/451818823.db2.gz JSOUDILIYKERMY-INIZCTEOSA-N 2 2 330.476 1.952 20 0 EDADLP C[C@H](COCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000651443178 451831724 /nfs/dbraw/zinc/83/17/24/451831724.db2.gz OZVGWFLSIZEWRG-QGZVFWFLSA-N 2 2 347.503 1.949 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)c[nH+]1 ZINC000642198404 451834756 /nfs/dbraw/zinc/83/47/56/451834756.db2.gz HFQHMTMEZHAZPD-UHFFFAOYSA-N 2 2 340.431 1.574 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000653347849 451858572 /nfs/dbraw/zinc/85/85/72/451858572.db2.gz SCQKMDLGGCWVCQ-CQSZACIVSA-N 3 2 339.509 1.737 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCOC[C@@H]3CCOC3)c2cc1C ZINC000644557977 451859602 /nfs/dbraw/zinc/85/96/02/451859602.db2.gz LYLFAISZVJFXPE-IAGOWNOFSA-N 2 2 347.459 1.657 20 0 EDADLP COCCOCC[NH+]1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000651485592 451859829 /nfs/dbraw/zinc/85/98/29/451859829.db2.gz DXLXLMGNEMIVKH-UHFFFAOYSA-N 2 2 349.479 1.252 20 0 EDADLP COc1c(C)c[nH+]c(CN2CC[NH+](CCc3cnccn3)CC2)c1C ZINC000639391834 451862317 /nfs/dbraw/zinc/86/23/17/451862317.db2.gz MSXCRYNPZPOGDL-UHFFFAOYSA-N 2 2 341.459 1.857 20 0 EDADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646833796 451872253 /nfs/dbraw/zinc/87/22/53/451872253.db2.gz ZJVKJLQRPKOSIP-DOMZBBRYSA-N 2 2 343.393 1.985 20 0 EDADLP C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646833796 451872259 /nfs/dbraw/zinc/87/22/59/451872259.db2.gz ZJVKJLQRPKOSIP-DOMZBBRYSA-N 2 2 343.393 1.985 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCOc1ncccc1F ZINC000644604366 451890717 /nfs/dbraw/zinc/89/07/17/451890717.db2.gz VIQGZRMDGDHQRB-MRXNPFEDSA-N 2 2 333.407 1.682 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCOc1ncccc1F ZINC000644604366 451890723 /nfs/dbraw/zinc/89/07/23/451890723.db2.gz VIQGZRMDGDHQRB-MRXNPFEDSA-N 2 2 333.407 1.682 20 0 EDADLP CCC[N@H+](CC)CCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641364615 451896748 /nfs/dbraw/zinc/89/67/48/451896748.db2.gz IQVIDOLZXFVGTQ-UHFFFAOYSA-N 2 2 339.505 1.685 20 0 EDADLP CCC[N@@H+](CC)CCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641364615 451896754 /nfs/dbraw/zinc/89/67/54/451896754.db2.gz IQVIDOLZXFVGTQ-UHFFFAOYSA-N 2 2 339.505 1.685 20 0 EDADLP CCC[NH+](CC)CCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641364615 451896757 /nfs/dbraw/zinc/89/67/57/451896757.db2.gz IQVIDOLZXFVGTQ-UHFFFAOYSA-N 2 2 339.505 1.685 20 0 EDADLP CCC[NH+](CC)CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641364615 451896765 /nfs/dbraw/zinc/89/67/65/451896765.db2.gz IQVIDOLZXFVGTQ-UHFFFAOYSA-N 2 2 339.505 1.685 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653408362 451920962 /nfs/dbraw/zinc/92/09/62/451920962.db2.gz KLMOYMQJUZGZKG-UHFFFAOYSA-N 2 2 349.479 1.100 20 0 EDADLP COc1ncc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000644658015 451922861 /nfs/dbraw/zinc/92/28/61/451922861.db2.gz KVOMGJHGWPMVJK-OBJOEFQTSA-N 2 2 343.855 1.303 20 0 EDADLP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000649253094 451932821 /nfs/dbraw/zinc/93/28/21/451932821.db2.gz IJUZLWDLZOBATK-FCGDIQPGSA-N 3 2 344.478 1.128 20 0 EDADLP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000649253094 451932826 /nfs/dbraw/zinc/93/28/26/451932826.db2.gz IJUZLWDLZOBATK-FCGDIQPGSA-N 3 2 344.478 1.128 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651588796 451940910 /nfs/dbraw/zinc/94/09/10/451940910.db2.gz DVILDEAOOBNXAB-UHFFFAOYSA-N 2 2 334.464 1.067 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651588796 451940913 /nfs/dbraw/zinc/94/09/13/451940913.db2.gz DVILDEAOOBNXAB-UHFFFAOYSA-N 2 2 334.464 1.067 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)c[nH+]1 ZINC000649289256 451965114 /nfs/dbraw/zinc/96/51/14/451965114.db2.gz DRQQKSXOHPCSKZ-CYBMUJFWSA-N 2 2 326.391 1.789 20 0 EDADLP C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000641417533 451955835 /nfs/dbraw/zinc/95/58/35/451955835.db2.gz UTHARGRHCGYTPK-GJZGRUSLSA-N 2 2 340.493 1.456 20 0 EDADLP C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000641417533 451955843 /nfs/dbraw/zinc/95/58/43/451955843.db2.gz UTHARGRHCGYTPK-GJZGRUSLSA-N 2 2 340.493 1.456 20 0 EDADLP O[C@]1(C[NH+]2CCC(O)(C(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639597737 451963530 /nfs/dbraw/zinc/96/35/30/451963530.db2.gz HTFKHUMNYMWKDC-KRWDZBQOSA-N 2 2 340.414 1.715 20 0 EDADLP O[C@]1(C[NH+]2CCC(O)(C(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639597737 451963534 /nfs/dbraw/zinc/96/35/34/451963534.db2.gz HTFKHUMNYMWKDC-KRWDZBQOSA-N 2 2 340.414 1.715 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3OC3CC3)CCO2)CC1 ZINC000649296140 451973344 /nfs/dbraw/zinc/97/33/44/451973344.db2.gz GYAIWPOVRUHRRM-IBGZPJMESA-N 2 2 345.487 1.676 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3OC3CC3)CCO2)CC1 ZINC000649296140 451973349 /nfs/dbraw/zinc/97/33/49/451973349.db2.gz GYAIWPOVRUHRRM-IBGZPJMESA-N 2 2 345.487 1.676 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnnn2-c2ccccc2)C[C@H](C)O1 ZINC000651670739 452004617 /nfs/dbraw/zinc/00/46/17/452004617.db2.gz UTMKRFILRXNLOK-IYBDPMFKSA-N 2 2 329.448 1.856 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnnn2-c2ccccc2)C[C@H](C)O1 ZINC000651670739 452004623 /nfs/dbraw/zinc/00/46/23/452004623.db2.gz UTMKRFILRXNLOK-IYBDPMFKSA-N 2 2 329.448 1.856 20 0 EDADLP NS(=O)(=O)c1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)co1 ZINC000639684806 452022320 /nfs/dbraw/zinc/02/23/20/452022320.db2.gz ZJKWIQLECPKDEX-UHFFFAOYSA-N 2 2 336.417 1.034 20 0 EDADLP NS(=O)(=O)c1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)co1 ZINC000639684806 452022330 /nfs/dbraw/zinc/02/23/30/452022330.db2.gz ZJKWIQLECPKDEX-UHFFFAOYSA-N 2 2 336.417 1.034 20 0 EDADLP COC[C@]1(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCC[NH2+]1 ZINC000649347651 452029832 /nfs/dbraw/zinc/02/98/32/452029832.db2.gz MIYDXURUMMEUOK-KSSFIOAISA-N 2 2 328.416 1.818 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000649347770 452030160 /nfs/dbraw/zinc/03/01/60/452030160.db2.gz ZLZITRSYPHOQLL-UHOFOFEASA-N 2 2 337.851 1.519 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649352949 452037432 /nfs/dbraw/zinc/03/74/32/452037432.db2.gz WQVUERGQEWIHOU-ZFWWWQNUSA-N 2 2 338.402 1.532 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649352947 452037576 /nfs/dbraw/zinc/03/75/76/452037576.db2.gz WQVUERGQEWIHOU-HIFRSBDPSA-N 2 2 338.402 1.532 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000653611534 452041476 /nfs/dbraw/zinc/04/14/76/452041476.db2.gz BNPOJKRTABUKQM-KBPBESRZSA-N 2 2 331.254 1.385 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000653611534 452041481 /nfs/dbraw/zinc/04/14/81/452041481.db2.gz BNPOJKRTABUKQM-KBPBESRZSA-N 2 2 331.254 1.385 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000649411023 452074289 /nfs/dbraw/zinc/07/42/89/452074289.db2.gz DXFRQJUGVBVZNS-PMACEKPBSA-N 2 2 341.455 1.445 20 0 EDADLP CCO[C@@H](C)c1nc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000649414534 452076409 /nfs/dbraw/zinc/07/64/09/452076409.db2.gz FRTYEQIBKPRIIM-GJZGRUSLSA-N 2 2 338.521 1.968 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415229 452078723 /nfs/dbraw/zinc/07/87/23/452078723.db2.gz QFQYUSVGGKAHIE-HRCADAONSA-N 2 2 333.480 1.828 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415229 452078725 /nfs/dbraw/zinc/07/87/25/452078725.db2.gz QFQYUSVGGKAHIE-HRCADAONSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)Cn1cc[nH+]c1 ZINC000647176526 452106591 /nfs/dbraw/zinc/10/65/91/452106591.db2.gz MWSDSLNXKWKSSU-LLVKDONJSA-N 2 2 326.397 1.096 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CO1 ZINC000647183405 452112407 /nfs/dbraw/zinc/11/24/07/452112407.db2.gz WIGYGNANSOMFNG-OAGGEKHMSA-N 2 2 347.463 1.049 20 0 EDADLP CC(C)Oc1cc[nH+]c(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000649566570 452147653 /nfs/dbraw/zinc/14/76/53/452147653.db2.gz PKMIHMDKZZZOII-GOSISDBHSA-N 2 2 346.475 1.783 20 0 EDADLP CC(C)Oc1cc[nH+]c(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000649566570 452147659 /nfs/dbraw/zinc/14/76/59/452147659.db2.gz PKMIHMDKZZZOII-GOSISDBHSA-N 2 2 346.475 1.783 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1 ZINC000643362761 452149807 /nfs/dbraw/zinc/14/98/07/452149807.db2.gz IKLAXOAFBAGOFA-UHFFFAOYSA-N 2 2 345.491 1.531 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)CC1 ZINC000643362761 452149813 /nfs/dbraw/zinc/14/98/13/452149813.db2.gz IKLAXOAFBAGOFA-UHFFFAOYSA-N 2 2 345.491 1.531 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2n(n1)CCCC2 ZINC000647288025 452167617 /nfs/dbraw/zinc/16/76/17/452167617.db2.gz CFQYLKHJUIYRRI-LSDHHAIUSA-N 2 2 333.480 1.457 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc2n(n1)CCCC2 ZINC000647288025 452167622 /nfs/dbraw/zinc/16/76/22/452167622.db2.gz CFQYLKHJUIYRRI-LSDHHAIUSA-N 2 2 333.480 1.457 20 0 EDADLP OCC1(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)COC1 ZINC000649614450 452168730 /nfs/dbraw/zinc/16/87/30/452168730.db2.gz WMUASKOBJHBRBO-HNNXBMFYSA-N 2 2 333.432 1.144 20 0 EDADLP OCC1(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)COC1 ZINC000649614450 452168737 /nfs/dbraw/zinc/16/87/37/452168737.db2.gz WMUASKOBJHBRBO-HNNXBMFYSA-N 2 2 333.432 1.144 20 0 EDADLP C[NH+]1CCN([C@H](CNC(=O)c2ccc(C[NH3+])o2)c2cccs2)CC1 ZINC000645182762 452198910 /nfs/dbraw/zinc/19/89/10/452198910.db2.gz KNSOKZHNUHTRQW-CQSZACIVSA-N 2 2 348.472 1.518 20 0 EDADLP C[C@H]1C[N@H+](CCN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)CCO1 ZINC000639875858 452211674 /nfs/dbraw/zinc/21/16/74/452211674.db2.gz BNWSNLXJFRTTAJ-DLBZAZTESA-N 2 2 325.497 1.282 20 0 EDADLP C[C@H]1C[N@@H+](CCN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)CCO1 ZINC000639875858 452211676 /nfs/dbraw/zinc/21/16/76/452211676.db2.gz BNWSNLXJFRTTAJ-DLBZAZTESA-N 2 2 325.497 1.282 20 0 EDADLP c1cc2c(nc[nH+]c2N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[nH]1 ZINC000641719062 452217001 /nfs/dbraw/zinc/21/70/01/452217001.db2.gz KUYXSRWNLKFJDS-AWEZNQCLSA-N 2 2 330.436 1.166 20 0 EDADLP c1cc2c(nc[nH+]c2N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[nH]1 ZINC000641719062 452217009 /nfs/dbraw/zinc/21/70/09/452217009.db2.gz KUYXSRWNLKFJDS-AWEZNQCLSA-N 2 2 330.436 1.166 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000647470927 452222888 /nfs/dbraw/zinc/22/28/88/452222888.db2.gz RIWNYKCYBSEFIP-KBPBESRZSA-N 2 2 347.463 1.322 20 0 EDADLP Cn1c[nH+]cc1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000649750537 452230714 /nfs/dbraw/zinc/23/07/14/452230714.db2.gz QSQLCJRQTMUDTB-RBUKOAKNSA-N 2 2 326.444 1.895 20 0 EDADLP Cn1c[nH+]cc1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000649750537 452230720 /nfs/dbraw/zinc/23/07/20/452230720.db2.gz QSQLCJRQTMUDTB-RBUKOAKNSA-N 2 2 326.444 1.895 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000641770984 452243942 /nfs/dbraw/zinc/24/39/42/452243942.db2.gz ASLXGXSUSYNYRJ-OAHLLOKOSA-N 2 2 338.448 1.649 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000641772575 452245508 /nfs/dbraw/zinc/24/55/08/452245508.db2.gz ROSZFXMIJGTNBX-OAHLLOKOSA-N 2 2 335.427 1.589 20 0 EDADLP CN(CC1CC[NH+](C)CC1)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663543503 452246538 /nfs/dbraw/zinc/24/65/38/452246538.db2.gz XZZLOZWRILMGCH-UHFFFAOYSA-N 2 2 333.480 1.606 20 0 EDADLP CN(CC1CC[NH+](C)CC1)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663543503 452246555 /nfs/dbraw/zinc/24/65/55/452246555.db2.gz XZZLOZWRILMGCH-UHFFFAOYSA-N 2 2 333.480 1.606 20 0 EDADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786682 452260862 /nfs/dbraw/zinc/26/08/62/452260862.db2.gz RDJAWRUPVQXEAY-QZTJIDSGSA-N 2 2 332.492 1.837 20 0 EDADLP COc1ccsc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787585 452263567 /nfs/dbraw/zinc/26/35/67/452263567.db2.gz CWLLGCSNVBCKTN-OAHLLOKOSA-N 2 2 339.505 1.643 20 0 EDADLP c1cnc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788312 452264390 /nfs/dbraw/zinc/26/43/90/452264390.db2.gz YARSOBBPLXBAFG-OALUTQOASA-N 2 2 344.503 1.845 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643501565 452268381 /nfs/dbraw/zinc/26/83/81/452268381.db2.gz LCTCQAZBLKQUPP-DZGCQCFKSA-N 2 2 325.478 1.730 20 0 EDADLP CCOc1ccccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789919 452270719 /nfs/dbraw/zinc/27/07/19/452270719.db2.gz YXSXXUKLLPOPKE-LJQANCHMSA-N 2 2 347.503 1.972 20 0 EDADLP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655478121 452273334 /nfs/dbraw/zinc/27/33/34/452273334.db2.gz NNMRBVDQTUNUFX-BFYDXBDKSA-N 2 2 332.448 1.190 20 0 EDADLP CC1(C)[C@H]([NH2+]Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000641802637 452277997 /nfs/dbraw/zinc/27/79/97/452277997.db2.gz AENBEWYXSKPMOV-NWDGAFQWSA-N 2 2 340.353 1.897 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[C@H]1F ZINC000659432774 452279315 /nfs/dbraw/zinc/27/93/15/452279315.db2.gz NFUZHQNRZKSYIC-HUUCEWRRSA-N 2 2 335.427 1.653 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000641804738 452282887 /nfs/dbraw/zinc/28/28/87/452282887.db2.gz LERPUTKMXOWRSL-IJLUTSLNSA-N 2 2 326.238 1.691 20 0 EDADLP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]1CCO ZINC000661492614 452293745 /nfs/dbraw/zinc/29/37/45/452293745.db2.gz LODOOYOMWZWAKN-WMZOPIPTSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]1CCO ZINC000661492614 452293758 /nfs/dbraw/zinc/29/37/58/452293758.db2.gz LODOOYOMWZWAKN-WMZOPIPTSA-N 2 2 349.475 1.407 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000665727900 452294975 /nfs/dbraw/zinc/29/49/75/452294975.db2.gz HMUGTJKGDXOSKK-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000659457001 452306991 /nfs/dbraw/zinc/30/69/91/452306991.db2.gz WAARMQFWUQVPLE-ZDUSSCGKSA-N 2 2 328.407 1.946 20 0 EDADLP COC[C@]1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000638045846 452310982 /nfs/dbraw/zinc/31/09/82/452310982.db2.gz ALMSOMFXAHYIBG-IBGZPJMESA-N 2 2 331.460 1.490 20 0 EDADLP C[C@@H](CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)[NH+](C)C ZINC000663592020 452318505 /nfs/dbraw/zinc/31/85/05/452318505.db2.gz PIBVZYRLIYBBCS-LSDHHAIUSA-N 2 2 349.479 1.446 20 0 EDADLP C[C@H](CCO)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000649865833 452327200 /nfs/dbraw/zinc/32/72/00/452327200.db2.gz DRSBVPNJPVAJDT-OAHLLOKOSA-N 2 2 335.448 1.160 20 0 EDADLP C[C@H](CCO)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000649865833 452327207 /nfs/dbraw/zinc/32/72/07/452327207.db2.gz DRSBVPNJPVAJDT-OAHLLOKOSA-N 2 2 335.448 1.160 20 0 EDADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000645369505 452348229 /nfs/dbraw/zinc/34/82/29/452348229.db2.gz FZYIICYTQGFHDB-ZDUSSCGKSA-N 2 2 325.840 1.521 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663624589 452361089 /nfs/dbraw/zinc/36/10/89/452361089.db2.gz OROFYIRAUINRLB-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000638065443 452365946 /nfs/dbraw/zinc/36/59/46/452365946.db2.gz UEJHKGGOGJFKQA-QZTJIDSGSA-N 2 2 329.444 1.532 20 0 EDADLP CC[C@@]1(O)CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000640032412 452368683 /nfs/dbraw/zinc/36/86/83/452368683.db2.gz DXUWKHNUWJSIFH-QFBILLFUSA-N 2 2 346.475 1.356 20 0 EDADLP CC[C@@]1(O)CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000640032412 452368694 /nfs/dbraw/zinc/36/86/94/452368694.db2.gz DXUWKHNUWJSIFH-QFBILLFUSA-N 2 2 346.475 1.356 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000638069897 452372494 /nfs/dbraw/zinc/37/24/94/452372494.db2.gz TYCSNVDMGJFBKS-LJQANCHMSA-N 2 2 339.439 1.870 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000638069897 452372501 /nfs/dbraw/zinc/37/25/01/452372501.db2.gz TYCSNVDMGJFBKS-LJQANCHMSA-N 2 2 339.439 1.870 20 0 EDADLP C[C@]1(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)CCC[NH2+]C1 ZINC000659529255 452389903 /nfs/dbraw/zinc/38/99/03/452389903.db2.gz JNJUGHMZOLVVKU-SFHVURJKSA-N 2 2 331.464 1.871 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)[nH+]c1 ZINC000663673061 452409828 /nfs/dbraw/zinc/40/98/28/452409828.db2.gz YEOSXNZOXPZAJD-CVEARBPZSA-N 2 2 349.479 1.600 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)[nH+]c1 ZINC000663673061 452409838 /nfs/dbraw/zinc/40/98/38/452409838.db2.gz YEOSXNZOXPZAJD-CVEARBPZSA-N 2 2 349.479 1.600 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)[C@H](C)CO1 ZINC000663685236 452422562 /nfs/dbraw/zinc/42/25/62/452422562.db2.gz BTSPIZRPLUKSOX-HUUCEWRRSA-N 2 2 349.479 1.170 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)n1cc[nH+]c1 ZINC000649975138 452428687 /nfs/dbraw/zinc/42/86/87/452428687.db2.gz PBHGESXZJVOASO-ZDUSSCGKSA-N 2 2 341.415 1.316 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)n1cc[nH+]c1 ZINC000649975138 452428693 /nfs/dbraw/zinc/42/86/93/452428693.db2.gz PBHGESXZJVOASO-ZDUSSCGKSA-N 2 2 341.415 1.316 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000657665225 452430349 /nfs/dbraw/zinc/43/03/49/452430349.db2.gz SISPIKOCYSAYIS-UHFFFAOYSA-N 2 2 341.463 1.129 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659582203 452438793 /nfs/dbraw/zinc/43/87/93/452438793.db2.gz QNUSATTVGBMMHB-HZPDHXFCSA-N 2 2 331.395 1.836 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659582203 452438801 /nfs/dbraw/zinc/43/88/01/452438801.db2.gz QNUSATTVGBMMHB-HZPDHXFCSA-N 2 2 331.395 1.836 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000665887294 452441257 /nfs/dbraw/zinc/44/12/57/452441257.db2.gz LFYJJMGWADKOAU-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000665887294 452441265 /nfs/dbraw/zinc/44/12/65/452441265.db2.gz LFYJJMGWADKOAU-ROUUACIJSA-N 2 2 346.475 1.009 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)cc2[nH+]1 ZINC000657722582 452471431 /nfs/dbraw/zinc/47/14/31/452471431.db2.gz LJZZNDRRDNLKIF-GXTWGEPZSA-N 2 2 341.415 1.323 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc2[nH+]1 ZINC000657722582 452471444 /nfs/dbraw/zinc/47/14/44/452471444.db2.gz LJZZNDRRDNLKIF-GXTWGEPZSA-N 2 2 341.415 1.323 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000652291429 452476626 /nfs/dbraw/zinc/47/66/26/452476626.db2.gz SFNYVHSMENNDTE-UHFFFAOYSA-N 2 2 329.404 1.217 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@H+]3C[C@@H](C)OC[C@@H]3C)ccc2[nH+]1 ZINC000665951595 452484499 /nfs/dbraw/zinc/48/44/99/452484499.db2.gz PFJMHQKIORNHIX-UONOGXRCSA-N 2 2 331.420 1.873 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@@H+]3C[C@@H](C)OC[C@@H]3C)ccc2[nH+]1 ZINC000665951595 452484504 /nfs/dbraw/zinc/48/45/04/452484504.db2.gz PFJMHQKIORNHIX-UONOGXRCSA-N 2 2 331.420 1.873 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)n1C ZINC000657745781 452494967 /nfs/dbraw/zinc/49/49/67/452494967.db2.gz XYBKWZFLZLBKLO-IBGZPJMESA-N 2 2 344.459 1.082 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655701752 452521799 /nfs/dbraw/zinc/52/17/99/452521799.db2.gz ZFUSNKWIZQZADD-MRXNPFEDSA-N 2 2 326.448 1.655 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657800060 452536979 /nfs/dbraw/zinc/53/69/79/452536979.db2.gz BDMSDQZOPBWXFR-IBGZPJMESA-N 2 2 339.487 1.735 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657800060 452536986 /nfs/dbraw/zinc/53/69/86/452536986.db2.gz BDMSDQZOPBWXFR-IBGZPJMESA-N 2 2 339.487 1.735 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000652358195 452538952 /nfs/dbraw/zinc/53/89/52/452538952.db2.gz KPQQQUFPCKEXIA-YWPYICTPSA-N 2 2 325.840 1.963 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000652358195 452538961 /nfs/dbraw/zinc/53/89/61/452538961.db2.gz KPQQQUFPCKEXIA-YWPYICTPSA-N 2 2 325.840 1.963 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815060 452545287 /nfs/dbraw/zinc/54/52/87/452545287.db2.gz NPWMPLPTGVHPGC-UHFFFAOYSA-N 2 2 338.473 1.685 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815060 452545301 /nfs/dbraw/zinc/54/53/01/452545301.db2.gz NPWMPLPTGVHPGC-UHFFFAOYSA-N 2 2 338.473 1.685 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCC3(F)F)C2)CC1 ZINC000652370754 452560138 /nfs/dbraw/zinc/56/01/38/452560138.db2.gz NWJIQWWHMWYCDC-UONOGXRCSA-N 2 2 344.450 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCC3(F)F)C2)CC1 ZINC000652370754 452560140 /nfs/dbraw/zinc/56/01/40/452560140.db2.gz NWJIQWWHMWYCDC-UONOGXRCSA-N 2 2 344.450 1.890 20 0 EDADLP Cn1nnc2c1CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C2 ZINC000655827397 452599896 /nfs/dbraw/zinc/59/98/96/452599896.db2.gz RHEYPLGTXGPEHT-GFCCVEGCSA-N 2 2 331.386 1.679 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000652423728 452616827 /nfs/dbraw/zinc/61/68/27/452616827.db2.gz SMKVRQWTQQNHQM-UHFFFAOYSA-N 2 2 347.463 1.060 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647900400 452640786 /nfs/dbraw/zinc/64/07/86/452640786.db2.gz APMMXZPLCSUFFL-HKUYNNGSSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647900400 452640791 /nfs/dbraw/zinc/64/07/91/452640791.db2.gz APMMXZPLCSUFFL-HKUYNNGSSA-N 2 2 345.487 1.954 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@H]1[NH3+] ZINC000647940378 452682490 /nfs/dbraw/zinc/68/24/90/452682490.db2.gz WECMKKXKVAEMGN-UKRRQHHQSA-N 2 2 333.432 1.846 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@H]1[NH3+] ZINC000647940378 452682503 /nfs/dbraw/zinc/68/25/03/452682503.db2.gz WECMKKXKVAEMGN-UKRRQHHQSA-N 2 2 333.432 1.846 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccn(CC(F)F)n1 ZINC000666269267 452732709 /nfs/dbraw/zinc/73/27/09/452732709.db2.gz GFWZVNSPAASIBS-UHFFFAOYSA-N 2 2 332.399 1.153 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccn(CC(F)F)n1 ZINC000666269267 452732715 /nfs/dbraw/zinc/73/27/15/452732715.db2.gz GFWZVNSPAASIBS-UHFFFAOYSA-N 2 2 332.399 1.153 20 0 EDADLP Cc1c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cnn1-c1ccc(C)cc1 ZINC000652616098 452773178 /nfs/dbraw/zinc/77/31/78/452773178.db2.gz YSRWQKOXCLXFKP-INIZCTEOSA-N 2 2 342.447 1.596 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000652703937 452856621 /nfs/dbraw/zinc/85/66/21/452856621.db2.gz BKKVPJKYAQXNBS-UHFFFAOYSA-N 2 2 340.427 1.350 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C3CC3)nn2C)[C@@H](C)C1 ZINC000645861118 452857478 /nfs/dbraw/zinc/85/74/78/452857478.db2.gz YWRXIZYJWDWKIB-GOEBONIOSA-N 2 2 335.496 1.919 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C3CC3)nn2C)[C@@H](C)C1 ZINC000645861118 452857486 /nfs/dbraw/zinc/85/74/86/452857486.db2.gz YWRXIZYJWDWKIB-GOEBONIOSA-N 2 2 335.496 1.919 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000648172429 452883576 /nfs/dbraw/zinc/88/35/76/452883576.db2.gz MKPGCKZTPZHZBE-OAHLLOKOSA-N 2 2 342.447 1.613 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662153639 452888179 /nfs/dbraw/zinc/88/81/79/452888179.db2.gz BEGUGEBWLNOYFD-ZWKOTPCHSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662153639 452888180 /nfs/dbraw/zinc/88/81/80/452888180.db2.gz BEGUGEBWLNOYFD-ZWKOTPCHSA-N 2 2 334.460 1.266 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CCc2ccncc2C)CC1 ZINC000645911385 452894330 /nfs/dbraw/zinc/89/43/30/452894330.db2.gz MRPGYZFSLFNTIJ-UHFFFAOYSA-N 2 2 335.492 1.992 20 0 EDADLP C[C@@H]1SCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000645913446 452894437 /nfs/dbraw/zinc/89/44/37/452894437.db2.gz QEPYSMIEGJVXPJ-DZGCQCFKSA-N 2 2 328.526 1.548 20 0 EDADLP C[C@@H]1SCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000645913446 452894444 /nfs/dbraw/zinc/89/44/44/452894444.db2.gz QEPYSMIEGJVXPJ-DZGCQCFKSA-N 2 2 328.526 1.548 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662161452 452901411 /nfs/dbraw/zinc/90/14/11/452901411.db2.gz USOJBBRLIFVVMR-MOPGFXCFSA-N 2 2 348.487 1.574 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662161452 452901417 /nfs/dbraw/zinc/90/14/17/452901417.db2.gz USOJBBRLIFVVMR-MOPGFXCFSA-N 2 2 348.487 1.574 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](CCc3nnn(C(C)(C)C)n3)CC2)c1 ZINC000660010184 452917760 /nfs/dbraw/zinc/91/77/60/452917760.db2.gz GNLWSZXJBZVORV-UHFFFAOYSA-N 2 2 329.452 1.496 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000658428767 452958706 /nfs/dbraw/zinc/95/87/06/452958706.db2.gz YZAWNKFDZHFTBS-UHFFFAOYSA-N 2 2 345.447 1.106 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000658428767 452958716 /nfs/dbraw/zinc/95/87/16/452958716.db2.gz YZAWNKFDZHFTBS-UHFFFAOYSA-N 2 2 345.447 1.106 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000645977712 452965355 /nfs/dbraw/zinc/96/53/55/452965355.db2.gz JKHIMQZNRNBJQY-FUHWJXTLSA-N 3 2 330.476 1.014 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000645977712 452965364 /nfs/dbraw/zinc/96/53/64/452965364.db2.gz JKHIMQZNRNBJQY-FUHWJXTLSA-N 3 2 330.476 1.014 20 0 EDADLP C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@H]1C[NH2+]CCO1 ZINC000662252437 452977572 /nfs/dbraw/zinc/97/75/72/452977572.db2.gz LUAHDVAHSFISMZ-CHWSQXEVSA-N 2 2 348.365 1.365 20 0 EDADLP C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@H]1C[NH2+]CCO1 ZINC000662252437 452977580 /nfs/dbraw/zinc/97/75/80/452977580.db2.gz LUAHDVAHSFISMZ-CHWSQXEVSA-N 2 2 348.365 1.365 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000662265648 452995767 /nfs/dbraw/zinc/99/57/67/452995767.db2.gz SKSJUFMQBXFABC-RDJZCZTQSA-N 2 2 337.489 1.559 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000662265648 452995777 /nfs/dbraw/zinc/99/57/77/452995777.db2.gz SKSJUFMQBXFABC-RDJZCZTQSA-N 2 2 337.489 1.559 20 0 EDADLP COc1cc2c(c(OC)c1OC)CC[N@H+](C[C@H]1C[NH2+]CCO1)CC2 ZINC000662280317 453005560 /nfs/dbraw/zinc/00/55/60/453005560.db2.gz OACFKIFAOWXWLK-CQSZACIVSA-N 2 2 336.432 1.101 20 0 EDADLP COc1cc2c(c(OC)c1OC)CC[N@@H+](C[C@H]1C[NH2+]CCO1)CC2 ZINC000662280317 453005564 /nfs/dbraw/zinc/00/55/64/453005564.db2.gz OACFKIFAOWXWLK-CQSZACIVSA-N 2 2 336.432 1.101 20 0 EDADLP c1[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n2c1CCCC2 ZINC000662282824 453007120 /nfs/dbraw/zinc/00/71/20/453007120.db2.gz QWYHGJNMNTXUBB-RDJZCZTQSA-N 3 2 330.476 1.920 20 0 EDADLP c1[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n2c1CCCC2 ZINC000662282824 453007128 /nfs/dbraw/zinc/00/71/28/453007128.db2.gz QWYHGJNMNTXUBB-RDJZCZTQSA-N 3 2 330.476 1.920 20 0 EDADLP C[C@@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000662285346 453010266 /nfs/dbraw/zinc/01/02/66/453010266.db2.gz BWVBCKGAAQNSFP-OAHLLOKOSA-N 2 2 341.455 1.721 20 0 EDADLP CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286884 453011850 /nfs/dbraw/zinc/01/18/50/453011850.db2.gz NSKCQASVLPOISC-INIZCTEOSA-N 2 2 349.475 1.357 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000664369556 453041770 /nfs/dbraw/zinc/04/17/70/453041770.db2.gz TUQHSBJKSVOKEH-RRFJBIMHSA-N 2 2 328.501 1.371 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000664369556 453041779 /nfs/dbraw/zinc/04/17/79/453041779.db2.gz TUQHSBJKSVOKEH-RRFJBIMHSA-N 2 2 328.501 1.371 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654950516 453064169 /nfs/dbraw/zinc/06/41/69/453064169.db2.gz KQKMSDAKXKZSGJ-LSDHHAIUSA-N 2 2 341.415 1.406 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654950516 453064178 /nfs/dbraw/zinc/06/41/78/453064178.db2.gz KQKMSDAKXKZSGJ-LSDHHAIUSA-N 2 2 341.415 1.406 20 0 EDADLP CCC[C@H](C)[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000650876796 453076979 /nfs/dbraw/zinc/07/69/79/453076979.db2.gz GTLDJZKCYZWIJJ-ZOBUZTSGSA-N 2 2 340.512 1.251 20 0 EDADLP CCC[C@H](C)[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000650876796 453076989 /nfs/dbraw/zinc/07/69/89/453076989.db2.gz GTLDJZKCYZWIJJ-ZOBUZTSGSA-N 2 2 340.512 1.251 20 0 EDADLP C[C@H](NC(=O)c1ccc(C[NH3+])o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065558 453077222 /nfs/dbraw/zinc/07/72/22/453077222.db2.gz SUAZMAMMQRFBDW-KBXCAEBGSA-N 2 2 343.427 1.758 20 0 EDADLP C[C@H](NC(=O)c1ccc(C[NH3+])o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065558 453077226 /nfs/dbraw/zinc/07/72/26/453077226.db2.gz SUAZMAMMQRFBDW-KBXCAEBGSA-N 2 2 343.427 1.758 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662376002 453086012 /nfs/dbraw/zinc/08/60/12/453086012.db2.gz HNLUFPYDZPCVTJ-AWEZNQCLSA-N 2 2 340.431 1.412 20 0 EDADLP CC[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000648438557 453086049 /nfs/dbraw/zinc/08/60/49/453086049.db2.gz FUXSCYSZSXMLHH-IRXDYDNUSA-N 2 2 346.475 1.668 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000644153974 453087649 /nfs/dbraw/zinc/08/76/49/453087649.db2.gz FCSHIKNZIPTWEP-KRWDZBQOSA-N 2 2 344.459 1.287 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000666734574 453105061 /nfs/dbraw/zinc/10/50/61/453105061.db2.gz ZBHVJODLZBENKE-OAHLLOKOSA-N 2 2 347.463 1.179 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)on2)cn1 ZINC000646106030 453109224 /nfs/dbraw/zinc/10/92/24/453109224.db2.gz PCNPJSJBPPHGAF-UHFFFAOYSA-N 2 2 331.420 1.372 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)on2)cn1 ZINC000646106030 453109234 /nfs/dbraw/zinc/10/92/34/453109234.db2.gz PCNPJSJBPPHGAF-UHFFFAOYSA-N 2 2 331.420 1.372 20 0 EDADLP CC(C)c1csc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664453907 453109869 /nfs/dbraw/zinc/10/98/69/453109869.db2.gz IRIAQBVRNFMMCD-UHFFFAOYSA-N 2 2 341.525 1.949 20 0 EDADLP CC(C)c1csc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664453907 453109875 /nfs/dbraw/zinc/10/98/75/453109875.db2.gz IRIAQBVRNFMMCD-UHFFFAOYSA-N 2 2 341.525 1.949 20 0 EDADLP O=C(COc1ccccc1C[NH2+]C[C@@H]1CCCC[NH2+]1)N1CCCC1 ZINC000666769961 453133082 /nfs/dbraw/zinc/13/30/82/453133082.db2.gz JHTIXIFNCKXERC-KRWDZBQOSA-N 2 2 331.460 1.920 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cccn3cc(C(F)(F)F)nc23)[C@H](C[NH3+])C1 ZINC000662429022 453138065 /nfs/dbraw/zinc/13/80/65/453138065.db2.gz NFRUMPJYFMOCPB-SNVBAGLBSA-N 2 2 341.337 1.068 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cccn3cc(C(F)(F)F)nc23)[C@H](C[NH3+])C1 ZINC000662429022 453138074 /nfs/dbraw/zinc/13/80/74/453138074.db2.gz NFRUMPJYFMOCPB-SNVBAGLBSA-N 2 2 341.337 1.068 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000646188810 453201627 /nfs/dbraw/zinc/20/16/27/453201627.db2.gz MJXZUPBNPCDXGI-QGZVFWFLSA-N 3 2 345.491 1.113 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000646188810 453201634 /nfs/dbraw/zinc/20/16/34/453201634.db2.gz MJXZUPBNPCDXGI-QGZVFWFLSA-N 3 2 345.491 1.113 20 0 EDADLP COCC[N@H+](C)Cc1cn(C[C@@H]2CC[NH+](Cc3ccccc3)C2)nn1 ZINC000656468741 453205598 /nfs/dbraw/zinc/20/55/98/453205598.db2.gz RREOSYLIAQFLCX-GOSISDBHSA-N 2 2 343.475 1.878 20 0 EDADLP COCC[N@@H+](C)Cc1cn(C[C@@H]2CC[NH+](Cc3ccccc3)C2)nn1 ZINC000656468741 453205604 /nfs/dbraw/zinc/20/56/04/453205604.db2.gz RREOSYLIAQFLCX-GOSISDBHSA-N 2 2 343.475 1.878 20 0 EDADLP COCC[NH+](C)Cc1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468741 453205608 /nfs/dbraw/zinc/20/56/08/453205608.db2.gz RREOSYLIAQFLCX-GOSISDBHSA-N 2 2 343.475 1.878 20 0 EDADLP COCC[NH+](C)Cc1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468741 453205611 /nfs/dbraw/zinc/20/56/11/453205611.db2.gz RREOSYLIAQFLCX-GOSISDBHSA-N 2 2 343.475 1.878 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660344009 453233276 /nfs/dbraw/zinc/23/32/76/453233276.db2.gz BBTVKSICSKQIGE-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660344009 453233283 /nfs/dbraw/zinc/23/32/83/453233283.db2.gz BBTVKSICSKQIGE-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000662525135 453245621 /nfs/dbraw/zinc/24/56/21/453245621.db2.gz QNKAQFHFALLRHT-HNNXBMFYSA-N 2 2 339.867 1.861 20 0 EDADLP Cc1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1C(=O)N1CCCC1 ZINC000653068202 453246418 /nfs/dbraw/zinc/24/64/18/453246418.db2.gz ZUGZKGAUQLPONF-CQSZACIVSA-N 2 2 332.448 1.449 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000648773691 453251612 /nfs/dbraw/zinc/25/16/12/453251612.db2.gz XHUOMAVBAOQIFS-HNNXBMFYSA-N 2 2 344.463 1.475 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC000653076343 453254750 /nfs/dbraw/zinc/25/47/50/453254750.db2.gz RVFJOMSFVAPQFG-ZDUSSCGKSA-N 2 2 327.375 1.846 20 0 EDADLP COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1Br ZINC000653084358 453266065 /nfs/dbraw/zinc/26/60/65/453266065.db2.gz CDSCTBIEPWFGFX-NSHDSACASA-N 2 2 330.226 1.675 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc2c(c1)OCO2 ZINC000656543866 453267689 /nfs/dbraw/zinc/26/76/89/453267689.db2.gz UOPCTWGCLNJSKS-UHFFFAOYSA-N 2 2 336.436 1.098 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc2c(c1)OCO2 ZINC000656543866 453267695 /nfs/dbraw/zinc/26/76/95/453267695.db2.gz UOPCTWGCLNJSKS-UHFFFAOYSA-N 2 2 336.436 1.098 20 0 EDADLP CC(C)c1nn(-c2ccccc2)cc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653096897 453280309 /nfs/dbraw/zinc/28/03/09/453280309.db2.gz YMXFZWJKNKJNLI-KRWDZBQOSA-N 2 2 343.475 1.891 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000653099408 453280851 /nfs/dbraw/zinc/28/08/51/453280851.db2.gz PRROVPZBZWGUIN-OAHLLOKOSA-N 2 2 346.406 1.253 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000653108608 453290694 /nfs/dbraw/zinc/29/06/94/453290694.db2.gz BKXOHCJZZWQLKE-GOSISDBHSA-N 2 2 342.443 1.556 20 0 EDADLP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653109068 453293229 /nfs/dbraw/zinc/29/32/29/453293229.db2.gz RASTZZLDMSFBFY-LJQANCHMSA-N 3 2 346.519 1.814 20 0 EDADLP Cn1nc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000664664669 453298883 /nfs/dbraw/zinc/29/88/83/453298883.db2.gz KDMNEZCSPTXTMN-UHFFFAOYSA-N 2 2 346.479 1.256 20 0 EDADLP Cn1nc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000664664669 453298892 /nfs/dbraw/zinc/29/88/92/453298892.db2.gz KDMNEZCSPTXTMN-UHFFFAOYSA-N 2 2 346.479 1.256 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000653112469 453300245 /nfs/dbraw/zinc/30/02/45/453300245.db2.gz ZLPFMULCHWBJJC-ROUUACIJSA-N 3 2 332.492 1.436 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000653112469 453300252 /nfs/dbraw/zinc/30/02/52/453300252.db2.gz ZLPFMULCHWBJJC-ROUUACIJSA-N 3 2 332.492 1.436 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000653114096 453301719 /nfs/dbraw/zinc/30/17/19/453301719.db2.gz YAMLQFFCLLHKNC-QZTJIDSGSA-N 3 2 332.492 1.527 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(OCc2cscn2)c1 ZINC000653115577 453303710 /nfs/dbraw/zinc/30/37/10/453303710.db2.gz SZYLVCRDNZTIPY-OAHLLOKOSA-N 2 2 334.445 1.940 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000653141927 453331835 /nfs/dbraw/zinc/33/18/35/453331835.db2.gz RHTJTAGSAQEMQD-UHFFFAOYSA-N 2 2 326.400 1.883 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)OC(C)C ZINC000653155286 453343990 /nfs/dbraw/zinc/34/39/90/453343990.db2.gz OACFIXKTEVMFLR-DOTOQJQBSA-N 2 2 337.464 1.557 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000653155175 453344705 /nfs/dbraw/zinc/34/47/05/453344705.db2.gz KOJLBYXNVLNNLF-XHDPSFHLSA-N 2 2 342.846 1.453 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000653156611 453347053 /nfs/dbraw/zinc/34/70/53/453347053.db2.gz GKBVEWLKYNRESG-AWEZNQCLSA-N 2 2 342.846 1.407 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@@H](C)CO1 ZINC000662636054 453351498 /nfs/dbraw/zinc/35/14/98/453351498.db2.gz XNJAHZDAGLWNCR-ZMSDIMECSA-N 2 2 333.476 1.938 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@@H](C)CO1 ZINC000662636054 453351508 /nfs/dbraw/zinc/35/15/08/453351508.db2.gz XNJAHZDAGLWNCR-ZMSDIMECSA-N 2 2 333.476 1.938 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000653163500 453356339 /nfs/dbraw/zinc/35/63/39/453356339.db2.gz PSHUZMCAUWJVJV-INIZCTEOSA-N 2 2 348.491 1.781 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000662646335 453360184 /nfs/dbraw/zinc/36/01/84/453360184.db2.gz NTVFDJVHAQYFIY-AWEZNQCLSA-N 2 2 344.484 1.974 20 0 EDADLP C[C@@H](CC[NH2+][C@H](C(N)=O)c1cccc(Br)c1)[NH+](C)C ZINC000656682015 453364452 /nfs/dbraw/zinc/36/44/52/453364452.db2.gz ORZXRKSULABKHE-GWCFXTLKSA-N 2 2 328.254 1.905 20 0 EDADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000662663425 453377260 /nfs/dbraw/zinc/37/72/60/453377260.db2.gz FVEYJEHQYUSKJC-CVEARBPZSA-N 2 2 337.851 1.348 20 0 EDADLP COC[C@@H](CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)OC ZINC000656706538 453384362 /nfs/dbraw/zinc/38/43/62/453384362.db2.gz YFUPNUSGXCLCGK-JKSUJKDBSA-N 2 2 335.448 1.655 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656710350 453385358 /nfs/dbraw/zinc/38/53/58/453385358.db2.gz IVSMDOXMRISWNE-QGZVFWFLSA-N 2 2 328.460 1.880 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000656710350 453385368 /nfs/dbraw/zinc/38/53/68/453385368.db2.gz IVSMDOXMRISWNE-QGZVFWFLSA-N 2 2 328.460 1.880 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000658779719 453386624 /nfs/dbraw/zinc/38/66/24/453386624.db2.gz VXECWAODABKEMP-AWEZNQCLSA-N 2 2 329.404 1.182 20 0 EDADLP Cn1nc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2c1CCCC2 ZINC000648926369 453403265 /nfs/dbraw/zinc/40/32/65/453403265.db2.gz HSVDTWDHZAJSJL-AWEZNQCLSA-N 2 2 345.491 1.197 20 0 EDADLP Cn1nc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2c1CCCC2 ZINC000648926369 453403270 /nfs/dbraw/zinc/40/32/70/453403270.db2.gz HSVDTWDHZAJSJL-AWEZNQCLSA-N 2 2 345.491 1.197 20 0 EDADLP CN1CC[NH+](CC2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000646458830 453405711 /nfs/dbraw/zinc/40/57/11/453405711.db2.gz GXLPACIRIBGSLQ-UHFFFAOYSA-N 2 2 339.443 1.192 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000655293569 453407615 /nfs/dbraw/zinc/40/76/15/453407615.db2.gz QJJKUACLRNJBMO-ARFHVFGLSA-N 2 2 337.851 1.220 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000655293569 453407628 /nfs/dbraw/zinc/40/76/28/453407628.db2.gz QJJKUACLRNJBMO-ARFHVFGLSA-N 2 2 337.851 1.220 20 0 EDADLP CN(C(=O)c1cncc(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934505 453411871 /nfs/dbraw/zinc/41/18/71/453411871.db2.gz NJYWMWQYNHRWAT-INIZCTEOSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1cncc(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934505 453411885 /nfs/dbraw/zinc/41/18/85/453411885.db2.gz NJYWMWQYNHRWAT-INIZCTEOSA-N 2 2 336.867 1.976 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])c1ccc(F)cc1F)[C@H](C)[NH+]1CCOCC1 ZINC000662720879 453445028 /nfs/dbraw/zinc/44/50/28/453445028.db2.gz MTZWXHBARFZYML-ZIBATOQPSA-N 2 2 327.375 1.190 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662732425 453458991 /nfs/dbraw/zinc/45/89/91/453458991.db2.gz BVXRPICGSZVDNI-WBVHZDCISA-N 2 2 345.491 1.096 20 0 EDADLP CCCN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@H]1CC[N@H+](C)C1 ZINC000648996340 453463534 /nfs/dbraw/zinc/46/35/34/453463534.db2.gz REGAFDJTIOZTMB-KRWDZBQOSA-N 2 2 346.475 1.470 20 0 EDADLP CCCN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@H]1CC[N@@H+](C)C1 ZINC000648996340 453463538 /nfs/dbraw/zinc/46/35/38/453463538.db2.gz REGAFDJTIOZTMB-KRWDZBQOSA-N 2 2 346.475 1.470 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCO1 ZINC000664925852 453487206 /nfs/dbraw/zinc/48/72/06/453487206.db2.gz DJGIQBZZAYJLKX-ZIAGYGMSSA-N 2 2 335.452 1.019 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCO1 ZINC000664925852 453487212 /nfs/dbraw/zinc/48/72/12/453487212.db2.gz DJGIQBZZAYJLKX-ZIAGYGMSSA-N 2 2 335.452 1.019 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662758475 453496037 /nfs/dbraw/zinc/49/60/37/453496037.db2.gz OUMIIQXUBCAVJT-HNNXBMFYSA-N 2 2 328.460 1.962 20 0 EDADLP C[C@@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1[nH+]ccn1C ZINC000667250137 453512162 /nfs/dbraw/zinc/51/21/62/453512162.db2.gz IEBUBQOJNZNOLF-OAHLLOKOSA-N 2 2 348.495 1.150 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660689994 453515984 /nfs/dbraw/zinc/51/59/84/453515984.db2.gz YPELYVSGHMLLHC-INIZCTEOSA-N 2 2 347.463 1.436 20 0 EDADLP O=C(NCC[NH2+]C1CC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000667296504 453543403 /nfs/dbraw/zinc/54/34/03/453543403.db2.gz CHPUWJBAKBFUSW-UHFFFAOYSA-N 2 2 340.383 1.681 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)ccn12 ZINC000662813650 453546415 /nfs/dbraw/zinc/54/64/15/453546415.db2.gz CCAGWZJLBBPNTJ-UHFFFAOYSA-N 2 2 341.459 1.589 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC3CCC([NH+]4CCNCC4)CC3)ccn12 ZINC000662813650 453546420 /nfs/dbraw/zinc/54/64/20/453546420.db2.gz CCAGWZJLBBPNTJ-UHFFFAOYSA-N 2 2 341.459 1.589 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c2[nH+]ccn21 ZINC000665048061 453553984 /nfs/dbraw/zinc/55/39/84/453553984.db2.gz RBGWPVCAIYDHBW-BPLDGKMQSA-N 2 2 333.436 1.130 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c2[nH+]ccn21 ZINC000665048061 453553989 /nfs/dbraw/zinc/55/39/89/453553989.db2.gz RBGWPVCAIYDHBW-BPLDGKMQSA-N 2 2 333.436 1.130 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000662857313 453572979 /nfs/dbraw/zinc/57/29/79/453572979.db2.gz LCLULOSMYGBWBF-OAHLLOKOSA-N 3 2 326.872 1.340 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000662857313 453572982 /nfs/dbraw/zinc/57/29/82/453572982.db2.gz LCLULOSMYGBWBF-OAHLLOKOSA-N 3 2 326.872 1.340 20 0 EDADLP CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900445 453594226 /nfs/dbraw/zinc/59/42/26/453594226.db2.gz LPRXQXVFUGOXMU-RBUKOAKNSA-N 3 2 344.503 1.183 20 0 EDADLP CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900445 453594229 /nfs/dbraw/zinc/59/42/29/453594229.db2.gz LPRXQXVFUGOXMU-RBUKOAKNSA-N 3 2 344.503 1.183 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000659065598 453608046 /nfs/dbraw/zinc/60/80/46/453608046.db2.gz DZOZEKLQZFEUIS-OAHLLOKOSA-N 2 2 347.463 1.105 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000659115751 453645807 /nfs/dbraw/zinc/64/58/07/453645807.db2.gz ZZPAWDRWOHXPKF-GFCCVEGCSA-N 2 2 343.431 1.425 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000665322934 453650893 /nfs/dbraw/zinc/65/08/93/453650893.db2.gz QKOYXKGLYXZRRL-UHFFFAOYSA-N 2 2 335.452 1.650 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000665322934 453650895 /nfs/dbraw/zinc/65/08/95/453650895.db2.gz QKOYXKGLYXZRRL-UHFFFAOYSA-N 2 2 335.452 1.650 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660949681 453658730 /nfs/dbraw/zinc/65/87/30/453658730.db2.gz GHZAQFQHEHVIFZ-GJZGRUSLSA-N 2 2 331.464 1.832 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000660949681 453658735 /nfs/dbraw/zinc/65/87/35/453658735.db2.gz GHZAQFQHEHVIFZ-GJZGRUSLSA-N 2 2 331.464 1.832 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000665463905 453703214 /nfs/dbraw/zinc/70/32/14/453703214.db2.gz REGZCAAIOVXYGR-QRQLOZEOSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000665463905 453703218 /nfs/dbraw/zinc/70/32/18/453703218.db2.gz REGZCAAIOVXYGR-QRQLOZEOSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000665463905 453703221 /nfs/dbraw/zinc/70/32/21/453703221.db2.gz REGZCAAIOVXYGR-QRQLOZEOSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000665463905 453703226 /nfs/dbraw/zinc/70/32/26/453703226.db2.gz REGZCAAIOVXYGR-QRQLOZEOSA-N 2 2 343.471 1.822 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661110592 453718488 /nfs/dbraw/zinc/71/84/88/453718488.db2.gz VOHMNWLSUHYSJF-AQFXKWCLSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2COC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000657303610 453761673 /nfs/dbraw/zinc/76/16/73/453761673.db2.gz VOBQCRFSBHTSDA-WBVHZDCISA-N 2 2 349.500 1.503 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2COC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000657303610 453761675 /nfs/dbraw/zinc/76/16/75/453761675.db2.gz VOBQCRFSBHTSDA-WBVHZDCISA-N 2 2 349.500 1.503 20 0 EDADLP C[C@@H](C[NH2+]Cc1c(F)cncc1Br)N1CC[NH+](C)CC1 ZINC000657348714 453770740 /nfs/dbraw/zinc/77/07/40/453770740.db2.gz FNCCOPARLDVVJS-NSHDSACASA-N 2 2 345.260 1.709 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000663362060 453779426 /nfs/dbraw/zinc/77/94/26/453779426.db2.gz UPGWDZMSKPAYNK-CYBMUJFWSA-N 2 2 332.448 1.792 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000661273886 453780362 /nfs/dbraw/zinc/78/03/62/453780362.db2.gz AZQYUURZQDBRJK-WMZOPIPTSA-N 2 2 347.507 1.052 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000661273886 453780364 /nfs/dbraw/zinc/78/03/64/453780364.db2.gz AZQYUURZQDBRJK-WMZOPIPTSA-N 2 2 347.507 1.052 20 0 EDADLP CC(CC[NH+]1CCc2c[nH]nc2C1)CC[N@@H+]1CCc2cn[nH]c2C1 ZINC000663371572 453782087 /nfs/dbraw/zinc/78/20/87/453782087.db2.gz GEEKHJQSAHLBCP-UHFFFAOYSA-N 2 2 328.464 1.966 20 0 EDADLP CC(CC[NH+]1CCc2c[nH]nc2C1)CC[N@H+]1CCc2cn[nH]c2C1 ZINC000663371572 453782090 /nfs/dbraw/zinc/78/20/90/453782090.db2.gz GEEKHJQSAHLBCP-UHFFFAOYSA-N 2 2 328.464 1.966 20 0 EDADLP CC(CC[NH+]1CCc2cn[nH]c2C1)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000663371572 453782093 /nfs/dbraw/zinc/78/20/93/453782093.db2.gz GEEKHJQSAHLBCP-UHFFFAOYSA-N 2 2 328.464 1.966 20 0 EDADLP CC(CC[NH+]1CCc2cn[nH]c2C1)CC[N@H+]1CCc2c[nH]nc2C1 ZINC000663371572 453782098 /nfs/dbraw/zinc/78/20/98/453782098.db2.gz GEEKHJQSAHLBCP-UHFFFAOYSA-N 2 2 328.464 1.966 20 0 EDADLP CC(C)[C@@H](CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1)[NH+]1CCCC1 ZINC000663379206 453784607 /nfs/dbraw/zinc/78/46/07/453784607.db2.gz LDGKYMLYOCUZSJ-OAHLLOKOSA-N 2 2 346.479 1.287 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CCO1 ZINC000663460655 453803835 /nfs/dbraw/zinc/80/38/35/453803835.db2.gz CHOXHMCWQJTFBM-INIZCTEOSA-N 2 2 345.447 1.587 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000516174816 486669018 /nfs/dbraw/zinc/66/90/18/486669018.db2.gz ZIKXUZSPFTVGAB-IIAWOOMASA-N 2 2 342.867 1.779 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(CCO)CCC3)C2)CC1 ZINC000676154232 486680087 /nfs/dbraw/zinc/68/00/87/486680087.db2.gz KZQFSSPVAORRLY-HNNXBMFYSA-N 2 2 338.496 1.007 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(CCO)CCC3)C2)CC1 ZINC000676154232 486680089 /nfs/dbraw/zinc/68/00/89/486680089.db2.gz KZQFSSPVAORRLY-HNNXBMFYSA-N 2 2 338.496 1.007 20 0 EDADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCS(N)(=O)=O ZINC000671626971 486684188 /nfs/dbraw/zinc/68/41/88/486684188.db2.gz HZMOLRKDUOMMJA-MRXNPFEDSA-N 2 2 327.494 1.411 20 0 EDADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCS(N)(=O)=O ZINC000671626971 486684189 /nfs/dbraw/zinc/68/41/89/486684189.db2.gz HZMOLRKDUOMMJA-MRXNPFEDSA-N 2 2 327.494 1.411 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000672699811 486769200 /nfs/dbraw/zinc/76/92/00/486769200.db2.gz JMSPRYNSGNQYIT-CVEARBPZSA-N 2 2 347.463 1.037 20 0 EDADLP Cc1cnn(C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667445660 486786355 /nfs/dbraw/zinc/78/63/55/486786355.db2.gz VDLSNCKTJNTKFZ-UHFFFAOYSA-N 2 2 334.468 1.409 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683769438 486815800 /nfs/dbraw/zinc/81/58/00/486815800.db2.gz UBPWKIHHMCFNPF-UHFFFAOYSA-N 2 2 326.444 1.877 20 0 EDADLP CN(C(=O)[C@@H]1CCn2ccnc2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676700874 486846710 /nfs/dbraw/zinc/84/67/10/486846710.db2.gz AZYFWBFTWCRGNJ-WBVHZDCISA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCn2ccnc2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676700874 486846717 /nfs/dbraw/zinc/84/67/17/486846717.db2.gz AZYFWBFTWCRGNJ-WBVHZDCISA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676700874 486846723 /nfs/dbraw/zinc/84/67/23/486846723.db2.gz AZYFWBFTWCRGNJ-WBVHZDCISA-N 3 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676700874 486846729 /nfs/dbraw/zinc/84/67/29/486846729.db2.gz AZYFWBFTWCRGNJ-WBVHZDCISA-N 3 2 345.491 1.072 20 0 EDADLP CC(C)C[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000166196281 486855273 /nfs/dbraw/zinc/85/52/73/486855273.db2.gz CYJKREJFAMXTMJ-GOSISDBHSA-N 2 2 349.475 1.387 20 0 EDADLP Cc1[nH+]cc(CN2CC[NH+](CC(=O)NC3CCC(C)CC3)CC2)n1C ZINC000667593686 486864473 /nfs/dbraw/zinc/86/44/73/486864473.db2.gz JLSYVBVTAURDRJ-UHFFFAOYSA-N 2 2 347.507 1.541 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC[NH+](C)CC1 ZINC000683985053 486895724 /nfs/dbraw/zinc/89/57/24/486895724.db2.gz DPLQYPFZUTVNBZ-WMLDXEAASA-N 2 2 332.448 1.975 20 0 EDADLP Cc1nc(N2CCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)cc[nH+]1 ZINC000667736895 486939683 /nfs/dbraw/zinc/93/96/83/486939683.db2.gz WJFLZKWQRDTLAV-UHFFFAOYSA-N 2 2 326.404 1.598 20 0 EDADLP CCn1ncc(C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667809709 486975656 /nfs/dbraw/zinc/97/56/56/486975656.db2.gz QOZNBLWPPRCHOX-UHFFFAOYSA-N 2 2 348.495 1.892 20 0 EDADLP CN(C(=O)NCCC(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681219591 486978574 /nfs/dbraw/zinc/97/85/74/486978574.db2.gz ZLKYFONVQZLZGN-ZDUSSCGKSA-N 2 2 336.402 1.749 20 0 EDADLP CN(C(=O)NCCC(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681219591 486978580 /nfs/dbraw/zinc/97/85/80/486978580.db2.gz ZLKYFONVQZLZGN-ZDUSSCGKSA-N 2 2 336.402 1.749 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@@H]1C ZINC000677171479 486993684 /nfs/dbraw/zinc/99/36/84/486993684.db2.gz GJHUUKBXBMLNGX-HNNXBMFYSA-N 2 2 333.480 1.185 20 0 EDADLP CC[N@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@@H]1C ZINC000677171479 486993687 /nfs/dbraw/zinc/99/36/87/486993687.db2.gz GJHUUKBXBMLNGX-HNNXBMFYSA-N 2 2 333.480 1.185 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000681386376 487030343 /nfs/dbraw/zinc/03/03/43/487030343.db2.gz ULYYZAGINMXPDL-AWEZNQCLSA-N 2 2 332.452 1.041 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2cc(F)ccc21 ZINC000681743015 487154542 /nfs/dbraw/zinc/15/45/42/487154542.db2.gz ATRTZJADWWJLEK-GXTWGEPZSA-N 2 2 335.404 1.845 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C(F)F)C2)C1 ZINC000677733961 487161067 /nfs/dbraw/zinc/16/10/67/487161067.db2.gz MIUNDXGAUYTMOA-UONOGXRCSA-N 2 2 333.423 1.046 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C(F)F)C2)C1 ZINC000677733961 487161072 /nfs/dbraw/zinc/16/10/72/487161072.db2.gz MIUNDXGAUYTMOA-UONOGXRCSA-N 2 2 333.423 1.046 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677733961 487161076 /nfs/dbraw/zinc/16/10/76/487161076.db2.gz MIUNDXGAUYTMOA-UONOGXRCSA-N 2 2 333.423 1.046 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000677733961 487161080 /nfs/dbraw/zinc/16/10/80/487161080.db2.gz MIUNDXGAUYTMOA-UONOGXRCSA-N 2 2 333.423 1.046 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000677866964 487186715 /nfs/dbraw/zinc/18/67/15/487186715.db2.gz NWVLIDNWMKRLPB-INIZCTEOSA-N 2 2 325.416 1.416 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000677866964 487186718 /nfs/dbraw/zinc/18/67/18/487186718.db2.gz NWVLIDNWMKRLPB-INIZCTEOSA-N 2 2 325.416 1.416 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000674157928 487209265 /nfs/dbraw/zinc/20/92/65/487209265.db2.gz HYHYTCNNSVUUBV-WBVHZDCISA-N 2 2 345.491 1.653 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000674157928 487209267 /nfs/dbraw/zinc/20/92/67/487209267.db2.gz HYHYTCNNSVUUBV-WBVHZDCISA-N 2 2 345.491 1.653 20 0 EDADLP COc1cc(C)[nH+]c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000685457427 487278494 /nfs/dbraw/zinc/27/84/94/487278494.db2.gz BYVHYXQJUFSTST-SFHVURJKSA-N 3 2 332.492 1.999 20 0 EDADLP COc1cc(C)[nH+]c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000685457427 487278499 /nfs/dbraw/zinc/27/84/99/487278499.db2.gz BYVHYXQJUFSTST-SFHVURJKSA-N 3 2 332.492 1.999 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000682008118 487279441 /nfs/dbraw/zinc/27/94/41/487279441.db2.gz PRSHOUZZPTYQTB-MRXNPFEDSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCO)C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000682008118 487279445 /nfs/dbraw/zinc/27/94/45/487279445.db2.gz PRSHOUZZPTYQTB-MRXNPFEDSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000682008118 487279448 /nfs/dbraw/zinc/27/94/48/487279448.db2.gz PRSHOUZZPTYQTB-MRXNPFEDSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000682008118 487279452 /nfs/dbraw/zinc/27/94/52/487279452.db2.gz PRSHOUZZPTYQTB-MRXNPFEDSA-N 2 2 345.487 1.348 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC(S(C)(=O)=O)CC2)cc1 ZINC000678277178 487279756 /nfs/dbraw/zinc/27/97/56/487279756.db2.gz FKUALYDAFYLUNJ-UHFFFAOYSA-N 2 2 340.489 1.636 20 0 EDADLP CCN1C[C@@H](C[N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)Oc2ccccc21 ZINC000685560913 487296079 /nfs/dbraw/zinc/29/60/79/487296079.db2.gz LFJCSNDPQVIDGI-IAGOWNOFSA-N 2 2 333.476 1.661 20 0 EDADLP CCN1C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)Oc2ccccc21 ZINC000685560913 487296080 /nfs/dbraw/zinc/29/60/80/487296080.db2.gz LFJCSNDPQVIDGI-IAGOWNOFSA-N 2 2 333.476 1.661 20 0 EDADLP CCN1C[C@@H](C[NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)Oc2ccccc21 ZINC000685560913 487296082 /nfs/dbraw/zinc/29/60/82/487296082.db2.gz LFJCSNDPQVIDGI-IAGOWNOFSA-N 2 2 333.476 1.661 20 0 EDADLP CCN1C[C@@H](C[NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)Oc2ccccc21 ZINC000685560913 487296083 /nfs/dbraw/zinc/29/60/83/487296083.db2.gz LFJCSNDPQVIDGI-IAGOWNOFSA-N 2 2 333.476 1.661 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682465230 487369493 /nfs/dbraw/zinc/36/94/93/487369493.db2.gz NCOGJCFYAZMSSE-INIZCTEOSA-N 2 2 339.443 1.621 20 0 EDADLP CC[C@]1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCOC1 ZINC000683044170 487445471 /nfs/dbraw/zinc/44/54/71/487445471.db2.gz YZBODJTZFKSBGH-IBGZPJMESA-N 2 2 347.459 1.616 20 0 EDADLP Cc1ccc(CNC(=O)NCc2[nH+]ccn2C)c(N2CCCC2)[nH+]1 ZINC000679694092 487458419 /nfs/dbraw/zinc/45/84/19/487458419.db2.gz KGIKTTXNZOJKMU-UHFFFAOYSA-N 2 2 328.420 1.723 20 0 EDADLP COC1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000675929405 487459489 /nfs/dbraw/zinc/45/94/89/487459489.db2.gz ANBKULDCXQIUHJ-FXAWDEMLSA-N 2 2 346.519 1.992 20 0 EDADLP COC1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000675929405 487459492 /nfs/dbraw/zinc/45/94/92/487459492.db2.gz ANBKULDCXQIUHJ-FXAWDEMLSA-N 2 2 346.519 1.992 20 0 EDADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000676030163 487467019 /nfs/dbraw/zinc/46/70/19/487467019.db2.gz VWDHASXUNUCRMU-JKSUJKDBSA-N 2 2 342.447 1.842 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000672602850 485937966 /nfs/dbraw/zinc/93/79/66/485937966.db2.gz FSPDKYPCHIJGEN-CQSZACIVSA-N 2 2 343.830 1.530 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc(C[NH3+])o1 ZINC000237140144 485952316 /nfs/dbraw/zinc/95/23/16/485952316.db2.gz JFSITVNMJLHYBB-UHFFFAOYSA-N 2 2 342.443 1.633 20 0 EDADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000668618987 485959869 /nfs/dbraw/zinc/95/98/69/485959869.db2.gz WYCFSNSBVGDLIO-KBAYOESNSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000668618987 485959873 /nfs/dbraw/zinc/95/98/73/485959873.db2.gz WYCFSNSBVGDLIO-KBAYOESNSA-N 2 2 337.508 1.819 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(O)CCCC(C)(C)C3)C2)CC1 ZINC000668639941 485982493 /nfs/dbraw/zinc/98/24/93/485982493.db2.gz ODCBXSZODDOTQU-BEFAXECRSA-N 2 2 337.508 1.602 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(O)CCCC(C)(C)C3)C2)CC1 ZINC000668639941 485982500 /nfs/dbraw/zinc/98/25/00/485982500.db2.gz ODCBXSZODDOTQU-BEFAXECRSA-N 2 2 337.508 1.602 20 0 EDADLP COc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000668639873 485982669 /nfs/dbraw/zinc/98/26/69/485982669.db2.gz NDZRRCRHVUOGSG-HNNXBMFYSA-N 2 2 331.460 1.902 20 0 EDADLP COc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000668639873 485982675 /nfs/dbraw/zinc/98/26/75/485982675.db2.gz NDZRRCRHVUOGSG-HNNXBMFYSA-N 2 2 331.460 1.902 20 0 EDADLP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC([NH3+])C1 ZINC000669366280 486014957 /nfs/dbraw/zinc/01/49/57/486014957.db2.gz HOJGBYMWNYXNER-OFLPRAFFSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000668690683 486053626 /nfs/dbraw/zinc/05/36/26/486053626.db2.gz YTYVFJOCOCGPHR-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000668690683 486053629 /nfs/dbraw/zinc/05/36/29/486053629.db2.gz YTYVFJOCOCGPHR-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)[nH+]c2c1 ZINC000669402312 486072284 /nfs/dbraw/zinc/07/22/84/486072284.db2.gz NVYJTIKIHQBSLY-CWRNSKLLSA-N 2 2 327.432 1.912 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000133625910 491222076 /nfs/dbraw/zinc/22/20/76/491222076.db2.gz VUMFVYOVRXACLU-GDBMZVCRSA-N 2 2 349.479 1.446 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000133625910 491222078 /nfs/dbraw/zinc/22/20/78/491222078.db2.gz VUMFVYOVRXACLU-GDBMZVCRSA-N 2 2 349.479 1.446 20 0 EDADLP Cc1ccc2[nH]c(NCc3cnc(N4CC[NH+](C)CC4)nc3)[nH+]c2c1 ZINC000641793816 491015680 /nfs/dbraw/zinc/01/56/80/491015680.db2.gz IAESNJSTUFJGMM-UHFFFAOYSA-N 2 2 337.431 1.447 20 0 EDADLP Cc1ccc2[nH+]c(NCc3cnc(N4CC[NH+](C)CC4)nc3)[nH]c2c1 ZINC000641793816 491015683 /nfs/dbraw/zinc/01/56/83/491015683.db2.gz IAESNJSTUFJGMM-UHFFFAOYSA-N 2 2 337.431 1.447 20 0 EDADLP C[NH+]1CCN(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000669727985 491189265 /nfs/dbraw/zinc/18/92/65/491189265.db2.gz UAGBXPDDGBJVQM-MRXNPFEDSA-N 2 2 345.491 1.173 20 0 EDADLP C[C@@H]1C[C@H](N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC[N@@H+]1C ZINC000154046492 533964827 /nfs/dbraw/zinc/96/48/27/533964827.db2.gz LOMZUIYYXZNBNU-VBSBHUPXSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H](N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1C ZINC000154046492 533964853 /nfs/dbraw/zinc/96/48/53/533964853.db2.gz LOMZUIYYXZNBNU-VBSBHUPXSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC[NH+]1C ZINC000154046492 533964861 /nfs/dbraw/zinc/96/48/61/533964861.db2.gz LOMZUIYYXZNBNU-VBSBHUPXSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC[NH+]1C ZINC000154046492 533964866 /nfs/dbraw/zinc/96/48/66/533964866.db2.gz LOMZUIYYXZNBNU-VBSBHUPXSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@@H+]1C ZINC000154046492 533964871 /nfs/dbraw/zinc/96/48/71/533964871.db2.gz LOMZUIYYXZNBNU-VBSBHUPXSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1C ZINC000154046492 533964881 /nfs/dbraw/zinc/96/48/81/533964881.db2.gz LOMZUIYYXZNBNU-VBSBHUPXSA-N 2 2 331.504 1.942 20 0 EDADLP O=C([C@H]1CCCn2cc[nH+]c21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000175151293 534629778 /nfs/dbraw/zinc/62/97/78/534629778.db2.gz WJLZVEPUIIWZKI-CVEARBPZSA-N 2 2 332.448 1.331 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000158461057 527801550 /nfs/dbraw/zinc/80/15/50/527801550.db2.gz KMFPHCPPAPDKFB-SJLPKXTDSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000158461057 527801558 /nfs/dbraw/zinc/80/15/58/527801558.db2.gz KMFPHCPPAPDKFB-SJLPKXTDSA-N 3 2 331.508 1.653 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153966102 528057352 /nfs/dbraw/zinc/05/73/52/528057352.db2.gz ILVMXLUUXMZIEW-BZSNNMDCSA-N 2 2 338.540 1.638 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C(=O)N(C)C)c3ccccc3)C2)CC1 ZINC000171530038 529152753 /nfs/dbraw/zinc/15/27/53/529152753.db2.gz NEJGBZDDTOGZLM-OALUTQOASA-N 2 2 344.503 1.528 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C(=O)N(C)C)c3ccccc3)C2)CC1 ZINC000171530038 529152754 /nfs/dbraw/zinc/15/27/54/529152754.db2.gz NEJGBZDDTOGZLM-OALUTQOASA-N 2 2 344.503 1.528 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000074188597 535109519 /nfs/dbraw/zinc/10/95/19/535109519.db2.gz OYECLBXGIOKGNR-INIZCTEOSA-N 2 2 336.480 1.870 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000074188597 535109530 /nfs/dbraw/zinc/10/95/30/535109530.db2.gz OYECLBXGIOKGNR-INIZCTEOSA-N 2 2 336.480 1.870 20 0 EDADLP CC(C)n1ncc2cc(C[N@H+](C)C3CC[NH+](CCO)CC3)cnc21 ZINC000353346043 535136563 /nfs/dbraw/zinc/13/65/63/535136563.db2.gz AGAFLYABURDUPI-UHFFFAOYSA-N 2 2 331.464 1.901 20 0 EDADLP CC(C)n1ncc2cc(C[N@@H+](C)C3CC[NH+](CCO)CC3)cnc21 ZINC000353346043 535136568 /nfs/dbraw/zinc/13/65/68/535136568.db2.gz AGAFLYABURDUPI-UHFFFAOYSA-N 2 2 331.464 1.901 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000081573023 535263833 /nfs/dbraw/zinc/26/38/33/535263833.db2.gz NHPLBETWWOLACN-DOTOQJQBSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000081573023 535263834 /nfs/dbraw/zinc/26/38/34/535263834.db2.gz NHPLBETWWOLACN-DOTOQJQBSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000081573023 535263836 /nfs/dbraw/zinc/26/38/36/535263836.db2.gz NHPLBETWWOLACN-DOTOQJQBSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000081573023 535263839 /nfs/dbraw/zinc/26/38/39/535263839.db2.gz NHPLBETWWOLACN-DOTOQJQBSA-N 2 2 333.480 1.579 20 0 EDADLP CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352722360 535437533 /nfs/dbraw/zinc/43/75/33/535437533.db2.gz BKVMTGFLBVOBNJ-CJNGLKHVSA-N 2 2 327.494 1.860 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccc(OC)cc2)CC1 ZINC000248136534 535489510 /nfs/dbraw/zinc/48/95/10/535489510.db2.gz NUPKIXBTDYJADE-UHFFFAOYSA-N 2 2 349.475 1.560 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347540363 535493168 /nfs/dbraw/zinc/49/31/68/535493168.db2.gz XDVSNMCCWYKMKY-KDOFPFPSSA-N 2 2 347.463 1.073 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000345847071 535570176 /nfs/dbraw/zinc/57/01/76/535570176.db2.gz AKKZGJSWVPYBPS-UHFFFAOYSA-N 2 2 331.526 1.288 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000345847071 535570178 /nfs/dbraw/zinc/57/01/78/535570178.db2.gz AKKZGJSWVPYBPS-UHFFFAOYSA-N 2 2 331.526 1.288 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(OCC(C)C)CC2)CC1 ZINC000054322107 535635289 /nfs/dbraw/zinc/63/52/89/535635289.db2.gz VRAJLPKCRIUFND-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C)C(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352718834 535712344 /nfs/dbraw/zinc/71/23/44/535712344.db2.gz IXPFREVVRBDQQQ-UHFFFAOYSA-N 2 2 332.492 1.214 20 0 EDADLP CCN(C)C(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352718834 535712347 /nfs/dbraw/zinc/71/23/47/535712347.db2.gz IXPFREVVRBDQQQ-UHFFFAOYSA-N 2 2 332.492 1.214 20 0 EDADLP C[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245925985 535886790 /nfs/dbraw/zinc/88/67/90/535886790.db2.gz XNDIRIDPGFNBIP-LSDHHAIUSA-N 2 2 326.391 1.571 20 0 EDADLP C[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245925985 535886795 /nfs/dbraw/zinc/88/67/95/535886795.db2.gz XNDIRIDPGFNBIP-LSDHHAIUSA-N 2 2 326.391 1.571 20 0 EDADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000262178665 536060218 /nfs/dbraw/zinc/06/02/18/536060218.db2.gz BHWNTCIOTCOMIU-HZPDHXFCSA-N 2 2 341.402 1.534 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)CC1 ZINC000263051239 536339843 /nfs/dbraw/zinc/33/98/43/536339843.db2.gz UPOONIANRYVTDY-PKOBYXMFSA-N 3 2 336.524 1.569 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000346982143 536368765 /nfs/dbraw/zinc/36/87/65/536368765.db2.gz NGWLDTLPODYMFQ-QGZVFWFLSA-N 2 2 328.460 1.393 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000346982143 536368769 /nfs/dbraw/zinc/36/87/69/536368769.db2.gz NGWLDTLPODYMFQ-QGZVFWFLSA-N 2 2 328.460 1.393 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000333734263 536393355 /nfs/dbraw/zinc/39/33/55/536393355.db2.gz KLMWGPSNXDMZDS-SFHVURJKSA-N 2 2 331.464 1.847 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000333734263 536393358 /nfs/dbraw/zinc/39/33/58/536393358.db2.gz KLMWGPSNXDMZDS-SFHVURJKSA-N 2 2 331.464 1.847 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245896771 536471115 /nfs/dbraw/zinc/47/11/15/536471115.db2.gz DDBDPXWXBKFZOU-YESZJQIVSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245896771 536471117 /nfs/dbraw/zinc/47/11/17/536471117.db2.gz DDBDPXWXBKFZOU-YESZJQIVSA-N 2 2 343.475 1.786 20 0 EDADLP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000262214252 536863677 /nfs/dbraw/zinc/86/36/77/536863677.db2.gz FDQWUAGVDJMYPN-HOTGVXAUSA-N 2 2 339.867 1.784 20 0 EDADLP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000262214252 536863682 /nfs/dbraw/zinc/86/36/82/536863682.db2.gz FDQWUAGVDJMYPN-HOTGVXAUSA-N 2 2 339.867 1.784 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000759575785 580009413 /nfs/dbraw/zinc/00/94/13/580009413.db2.gz SWVZIWSYUBVPGV-BZUAXINKSA-N 2 2 335.452 1.196 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000759575785 580009414 /nfs/dbraw/zinc/00/94/14/580009414.db2.gz SWVZIWSYUBVPGV-BZUAXINKSA-N 2 2 335.452 1.196 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000726256781 578339415 /nfs/dbraw/zinc/33/94/15/578339415.db2.gz PAVUZHPTWHPNPF-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000726256781 578339416 /nfs/dbraw/zinc/33/94/16/578339416.db2.gz PAVUZHPTWHPNPF-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000726259920 578340592 /nfs/dbraw/zinc/34/05/92/578340592.db2.gz VNARHJSDQLUIMB-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000726259920 578340593 /nfs/dbraw/zinc/34/05/93/578340593.db2.gz VNARHJSDQLUIMB-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726259920 578340594 /nfs/dbraw/zinc/34/05/94/578340594.db2.gz VNARHJSDQLUIMB-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726259920 578340595 /nfs/dbraw/zinc/34/05/95/578340595.db2.gz VNARHJSDQLUIMB-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(N(C)C)[nH+]1 ZINC000760412086 580030168 /nfs/dbraw/zinc/03/01/68/580030168.db2.gz ABJBNIXOXVKXEH-CQSZACIVSA-N 2 2 347.463 1.337 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(C(N)=O)c2)CC1 ZINC000733996474 578792831 /nfs/dbraw/zinc/79/28/31/578792831.db2.gz STAXGGSLFTWTMF-UHFFFAOYSA-N 2 2 346.475 1.206 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(C(N)=O)c2)CC1 ZINC000733996474 578792832 /nfs/dbraw/zinc/79/28/32/578792832.db2.gz STAXGGSLFTWTMF-UHFFFAOYSA-N 2 2 346.475 1.206 20 0 EDADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000735871049 578934574 /nfs/dbraw/zinc/93/45/74/578934574.db2.gz VEQYLMOBBXMAPK-JTQLQIEISA-N 2 2 347.444 1.777 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cn3nccc3-c3cccnc3)CC2)C1 ZINC000738213029 579173091 /nfs/dbraw/zinc/17/30/91/579173091.db2.gz JGPVWDYWCCQSBG-GOSISDBHSA-N 2 2 340.475 1.614 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cn3nccc3-c3cccnc3)CC2)C1 ZINC000738213029 579173093 /nfs/dbraw/zinc/17/30/93/579173093.db2.gz JGPVWDYWCCQSBG-GOSISDBHSA-N 2 2 340.475 1.614 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000744426611 579510496 /nfs/dbraw/zinc/51/04/96/579510496.db2.gz NAMCAHMDFWBHFC-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC[N@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000744426611 579510498 /nfs/dbraw/zinc/51/04/98/579510498.db2.gz NAMCAHMDFWBHFC-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3[nH]nc4c3CCCC4)C2)CC1 ZINC000777192272 580436871 /nfs/dbraw/zinc/43/68/71/580436871.db2.gz WUYIKZOSFHDJHY-AWEZNQCLSA-N 2 2 345.491 1.116 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3[nH]nc4c3CCCC4)C2)CC1 ZINC000777192272 580436872 /nfs/dbraw/zinc/43/68/72/580436872.db2.gz WUYIKZOSFHDJHY-AWEZNQCLSA-N 2 2 345.491 1.116 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3n[nH]c4c3CCCC4)C2)CC1 ZINC000777192272 580436873 /nfs/dbraw/zinc/43/68/73/580436873.db2.gz WUYIKZOSFHDJHY-AWEZNQCLSA-N 2 2 345.491 1.116 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3n[nH]c4c3CCCC4)C2)CC1 ZINC000777192272 580436874 /nfs/dbraw/zinc/43/68/74/580436874.db2.gz WUYIKZOSFHDJHY-AWEZNQCLSA-N 2 2 345.491 1.116 20 0 EDADLP Cc1nc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccn12 ZINC000748751737 579699190 /nfs/dbraw/zinc/69/91/90/579699190.db2.gz QGVXURXMZBSGLL-UHFFFAOYSA-N 2 2 329.448 1.399 20 0 EDADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)nc1 ZINC000749154856 579714438 /nfs/dbraw/zinc/71/44/38/579714438.db2.gz HQKMHONTSITXLR-UHFFFAOYSA-N 2 2 336.867 1.910 20 0 EDADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)nc1 ZINC000749154856 579714440 /nfs/dbraw/zinc/71/44/40/579714440.db2.gz HQKMHONTSITXLR-UHFFFAOYSA-N 2 2 336.867 1.910 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(O)cc1 ZINC000749535650 579729788 /nfs/dbraw/zinc/72/97/88/579729788.db2.gz SQAAYMAYJKJGSA-HYVNUMGLSA-N 2 2 333.432 1.514 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(O)cc1 ZINC000749535650 579729789 /nfs/dbraw/zinc/72/97/89/579729789.db2.gz SQAAYMAYJKJGSA-HYVNUMGLSA-N 2 2 333.432 1.514 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000749546334 579730060 /nfs/dbraw/zinc/73/00/60/579730060.db2.gz PLQRMLIIUOSHQE-FGTMMUONSA-N 3 2 341.459 1.951 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000749546334 579730062 /nfs/dbraw/zinc/73/00/62/579730062.db2.gz PLQRMLIIUOSHQE-FGTMMUONSA-N 3 2 341.459 1.951 20 0 EDADLP CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000750037044 579749487 /nfs/dbraw/zinc/74/94/87/579749487.db2.gz URVMXHGABWKMDI-AWEZNQCLSA-N 2 2 349.460 1.029 20 0 EDADLP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000750037044 579749488 /nfs/dbraw/zinc/74/94/88/579749488.db2.gz URVMXHGABWKMDI-AWEZNQCLSA-N 2 2 349.460 1.029 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccc2[nH+]ccn21 ZINC000752366362 579847028 /nfs/dbraw/zinc/84/70/28/579847028.db2.gz WYEYAEKXIYIHOP-UHFFFAOYSA-N 2 2 330.432 1.765 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000755792778 579935413 /nfs/dbraw/zinc/93/54/13/579935413.db2.gz WTJYJRKTRFMBQY-WBMJQRKESA-N 2 2 334.445 1.049 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000755792778 579935414 /nfs/dbraw/zinc/93/54/14/579935414.db2.gz WTJYJRKTRFMBQY-WBMJQRKESA-N 2 2 334.445 1.049 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125437 579944000 /nfs/dbraw/zinc/94/40/00/579944000.db2.gz CRUPRTCAEBOULI-SWHYSGLUSA-N 2 2 326.824 1.684 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125437 579944001 /nfs/dbraw/zinc/94/40/01/579944001.db2.gz CRUPRTCAEBOULI-SWHYSGLUSA-N 2 2 326.824 1.684 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@@H](C(=O)OC)CC1=O ZINC000762074234 580066344 /nfs/dbraw/zinc/06/63/44/580066344.db2.gz GKGAZJGCEIAPFX-AWEZNQCLSA-N 2 2 336.436 1.137 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@@H](C(=O)OC)CC1=O ZINC000762074234 580066345 /nfs/dbraw/zinc/06/63/45/580066345.db2.gz GKGAZJGCEIAPFX-AWEZNQCLSA-N 2 2 336.436 1.137 20 0 EDADLP Cc1cccc2c1C[N@H+](CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CC2 ZINC000762086943 580066625 /nfs/dbraw/zinc/06/66/25/580066625.db2.gz KRVKTVMRNXGJHJ-UHFFFAOYSA-N 2 2 342.443 1.327 20 0 EDADLP Cc1cccc2c1C[N@@H+](CN1C(=O)NC3(CC[NH+](C)CC3)C1=O)CC2 ZINC000762086943 580066626 /nfs/dbraw/zinc/06/66/26/580066626.db2.gz KRVKTVMRNXGJHJ-UHFFFAOYSA-N 2 2 342.443 1.327 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](CCO)C3CC3)CC2)c1 ZINC000763063302 580091602 /nfs/dbraw/zinc/09/16/02/580091602.db2.gz COMRRSZOTUAFRJ-LJQANCHMSA-N 2 2 345.487 1.390 20 0 EDADLP C[NH+](C)CCNC(=S)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000764502860 580122054 /nfs/dbraw/zinc/12/20/54/580122054.db2.gz IWNZGCFFESEDHN-UHFFFAOYSA-N 2 2 340.924 1.894 20 0 EDADLP O[C@@H](CN1CC[NH+](Cc2ccccc2Cl)CC1)C[NH+]1CCCC1 ZINC000764719138 580127210 /nfs/dbraw/zinc/12/72/10/580127210.db2.gz TZLKIMUICVGLMM-QGZVFWFLSA-N 2 2 337.895 1.914 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000765279411 580139190 /nfs/dbraw/zinc/13/91/90/580139190.db2.gz MHYOULMREYOHKY-GDBMZVCRSA-N 2 2 337.489 1.321 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000765279411 580139191 /nfs/dbraw/zinc/13/91/91/580139191.db2.gz MHYOULMREYOHKY-GDBMZVCRSA-N 2 2 337.489 1.321 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000767183837 580183317 /nfs/dbraw/zinc/18/33/17/580183317.db2.gz LORHUOAELBROIL-HNNXBMFYSA-N 2 2 328.416 1.457 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000767815602 580200708 /nfs/dbraw/zinc/20/07/08/580200708.db2.gz ZCRKXSQNLMGBGO-HOTGVXAUSA-N 2 2 331.464 1.793 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000767815602 580200709 /nfs/dbraw/zinc/20/07/09/580200709.db2.gz ZCRKXSQNLMGBGO-HOTGVXAUSA-N 2 2 331.464 1.793 20 0 EDADLP CCN1C(=O)CN(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)C1=O ZINC000773336938 580334563 /nfs/dbraw/zinc/33/45/63/580334563.db2.gz CHOVLLXCICDBEB-UHFFFAOYSA-N 2 2 332.404 1.475 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000776341792 580415243 /nfs/dbraw/zinc/41/52/43/580415243.db2.gz ZCKBYRTXJBULSO-OAHLLOKOSA-N 2 2 336.399 1.651 20 0 EDADLP Cc1cnc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000780637633 580529802 /nfs/dbraw/zinc/52/98/02/580529802.db2.gz SRRDNWGLUJVYIO-KRWDZBQOSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1cnc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000780637633 580529803 /nfs/dbraw/zinc/52/98/03/580529803.db2.gz SRRDNWGLUJVYIO-KRWDZBQOSA-N 2 2 330.476 1.939 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC(OCC3CC3)CC2)C1 ZINC000783997767 580611248 /nfs/dbraw/zinc/61/12/48/580611248.db2.gz SLYORMWJLHQPLQ-OAHLLOKOSA-N 2 2 332.448 1.585 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(N(C)C)[nH+]1 ZINC000784462378 580621449 /nfs/dbraw/zinc/62/14/49/580621449.db2.gz HTFYKIUYXRFVSD-CQSZACIVSA-N 2 2 345.447 1.090 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c(N(C)C)[nH+]1 ZINC000784462378 580621450 /nfs/dbraw/zinc/62/14/50/580621450.db2.gz HTFYKIUYXRFVSD-CQSZACIVSA-N 2 2 345.447 1.090 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(F)(F)C1(O)CCCC1 ZINC000786159016 580663105 /nfs/dbraw/zinc/66/31/05/580663105.db2.gz JTIVYMDUOHZZFO-UHFFFAOYSA-N 2 2 347.450 1.411 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(F)(F)C1(O)CCCC1 ZINC000786159016 580663106 /nfs/dbraw/zinc/66/31/06/580663106.db2.gz JTIVYMDUOHZZFO-UHFFFAOYSA-N 2 2 347.450 1.411 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000788312662 580717087 /nfs/dbraw/zinc/71/70/87/580717087.db2.gz BHZHFOXHWDTLJE-MRXNPFEDSA-N 2 2 328.501 1.471 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000788312662 580717088 /nfs/dbraw/zinc/71/70/88/580717088.db2.gz BHZHFOXHWDTLJE-MRXNPFEDSA-N 2 2 328.501 1.471 20 0 EDADLP CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000789518472 580748272 /nfs/dbraw/zinc/74/82/72/580748272.db2.gz GFMVXJRMRDUTHO-LSDHHAIUSA-N 2 2 347.463 1.074 20 0 EDADLP CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000789518472 580748273 /nfs/dbraw/zinc/74/82/73/580748273.db2.gz GFMVXJRMRDUTHO-LSDHHAIUSA-N 2 2 347.463 1.074 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[NH+]1CCCCC1 ZINC000793718277 580853408 /nfs/dbraw/zinc/85/34/08/580853408.db2.gz NLLVESCLBOTCEV-HZPDHXFCSA-N 2 2 347.463 1.037 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccnc(N(C)C)c2)CC1 ZINC000796573768 580956811 /nfs/dbraw/zinc/95/68/11/580956811.db2.gz BAJLMYIJVHDCRK-UHFFFAOYSA-N 2 2 327.432 1.873 20 0 EDADLP O=C1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126691 581017715 /nfs/dbraw/zinc/01/77/15/581017715.db2.gz ICCYHUOOIYSUHK-KSZLIROESA-N 2 2 341.455 1.778 20 0 EDADLP O=C1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126691 581017716 /nfs/dbraw/zinc/01/77/16/581017716.db2.gz ICCYHUOOIYSUHK-KSZLIROESA-N 2 2 341.455 1.778 20 0 EDADLP O=C1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126691 581017717 /nfs/dbraw/zinc/01/77/17/581017717.db2.gz ICCYHUOOIYSUHK-KSZLIROESA-N 2 2 341.455 1.778 20 0 EDADLP O=C1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C(=O)N1 ZINC000799126691 581017718 /nfs/dbraw/zinc/01/77/18/581017718.db2.gz ICCYHUOOIYSUHK-KSZLIROESA-N 2 2 341.455 1.778 20 0 EDADLP C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000891927746 590691819 /nfs/dbraw/zinc/69/18/19/590691819.db2.gz VWKKPYSUCOVWSL-UKRRQHHQSA-N 2 2 344.297 1.400 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000891999946 590737288 /nfs/dbraw/zinc/73/72/88/590737288.db2.gz PITAQPBNTHJPEC-AWEZNQCLSA-N 2 2 349.504 1.434 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])C2)c1 ZINC000892201127 590861799 /nfs/dbraw/zinc/86/17/99/590861799.db2.gz UHGUBNOMXICAAI-SOLBZPMBSA-N 2 2 348.491 1.621 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])C2)c1 ZINC000892201127 590861801 /nfs/dbraw/zinc/86/18/01/590861801.db2.gz UHGUBNOMXICAAI-SOLBZPMBSA-N 2 2 348.491 1.621 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892305950 590927635 /nfs/dbraw/zinc/92/76/35/590927635.db2.gz OWDIKMBKFSXXJH-GXTWGEPZSA-N 2 2 335.477 1.184 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892384129 591004250 /nfs/dbraw/zinc/00/42/50/591004250.db2.gz OZKKYISETVZWLJ-BZUAXINKSA-N 2 2 338.496 1.269 20 0 EDADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000893605482 591004325 /nfs/dbraw/zinc/00/43/25/591004325.db2.gz GSVDJQFXORFYIN-AWEZNQCLSA-N 2 2 332.370 1.323 20 0 EDADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000893605482 591004328 /nfs/dbraw/zinc/00/43/28/591004328.db2.gz GSVDJQFXORFYIN-AWEZNQCLSA-N 2 2 332.370 1.323 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nn2)C[C@H](C)O1 ZINC000892487362 591045638 /nfs/dbraw/zinc/04/56/38/591045638.db2.gz IQKAGXKRFQMIKV-CALCHBBNSA-N 2 2 343.475 1.915 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(Cc3ccccc3)nn2)C[C@H](C)O1 ZINC000892487362 591045643 /nfs/dbraw/zinc/04/56/43/591045643.db2.gz IQKAGXKRFQMIKV-CALCHBBNSA-N 2 2 343.475 1.915 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892493199 591048522 /nfs/dbraw/zinc/04/85/22/591048522.db2.gz DBKOGDQTHXAGOG-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP CC1(O)CCC([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000892538203 591065280 /nfs/dbraw/zinc/06/52/80/591065280.db2.gz JLIJFCYVYWFGCW-UHFFFAOYSA-N 2 2 333.480 1.272 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000892604404 591090820 /nfs/dbraw/zinc/09/08/20/591090820.db2.gz BQFFBVDXKRJLLC-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000892604404 591090825 /nfs/dbraw/zinc/09/08/25/591090825.db2.gz BQFFBVDXKRJLLC-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000892610234 591093951 /nfs/dbraw/zinc/09/39/51/591093951.db2.gz AURJJZLSAXJFIG-QZTJIDSGSA-N 2 2 346.475 1.186 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000892610234 591093956 /nfs/dbraw/zinc/09/39/56/591093956.db2.gz AURJJZLSAXJFIG-QZTJIDSGSA-N 2 2 346.475 1.186 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000891518890 591104633 /nfs/dbraw/zinc/10/46/33/591104633.db2.gz VLUGQKRGOVFTBH-MPGHIAIKSA-N 2 2 346.475 1.109 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000891526921 591107537 /nfs/dbraw/zinc/10/75/37/591107537.db2.gz GCZKNRFWPNODBO-QAPCUYQASA-N 2 2 339.528 1.029 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892676497 591124390 /nfs/dbraw/zinc/12/43/90/591124390.db2.gz NIMSXOWCFOQVAC-GXTWGEPZSA-N 2 2 337.420 1.924 20 0 EDADLP CCn1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(C)n1 ZINC000892750514 591158732 /nfs/dbraw/zinc/15/87/32/591158732.db2.gz IOKPNUSRFDFYQN-UHFFFAOYSA-N 2 2 328.464 1.648 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000892764573 591165943 /nfs/dbraw/zinc/16/59/43/591165943.db2.gz JLHGEMZLMLPJRY-CVEARBPZSA-N 2 2 327.432 1.565 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000892764573 591165947 /nfs/dbraw/zinc/16/59/47/591165947.db2.gz JLHGEMZLMLPJRY-CVEARBPZSA-N 2 2 327.432 1.565 20 0 EDADLP C[C@H](CC[NH+](C)C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892763351 591167401 /nfs/dbraw/zinc/16/74/01/591167401.db2.gz KUGFYEHOXMWURW-OAHLLOKOSA-N 3 2 342.528 1.905 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892767404 591168722 /nfs/dbraw/zinc/16/87/22/591168722.db2.gz BWAOFSGCDZSMFE-LSDHHAIUSA-N 2 2 347.463 1.078 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000894232044 591238376 /nfs/dbraw/zinc/23/83/76/591238376.db2.gz BELWBBMYFSPXQA-RHSMWYFYSA-N 2 2 327.432 1.740 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cn(C)c[nH+]1 ZINC000894232044 591238377 /nfs/dbraw/zinc/23/83/77/591238377.db2.gz BELWBBMYFSPXQA-RHSMWYFYSA-N 2 2 327.432 1.740 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]c1C(C)C ZINC000894242235 591242078 /nfs/dbraw/zinc/24/20/78/591242078.db2.gz HTHKDFZMLWODEL-GJZGRUSLSA-N 2 2 335.448 1.878 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH]c1C(C)C ZINC000894242235 591242080 /nfs/dbraw/zinc/24/20/80/591242080.db2.gz HTHKDFZMLWODEL-GJZGRUSLSA-N 2 2 335.448 1.878 20 0 EDADLP C[C@@H]1CSCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021716 591257722 /nfs/dbraw/zinc/25/77/22/591257722.db2.gz GRNRPCPDPCFJLQ-CABCVRRESA-N 2 2 340.537 1.692 20 0 EDADLP C[C@@H]1CSCCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021716 591257723 /nfs/dbraw/zinc/25/77/23/591257723.db2.gz GRNRPCPDPCFJLQ-CABCVRRESA-N 2 2 340.537 1.692 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000895710841 591257906 /nfs/dbraw/zinc/25/79/06/591257906.db2.gz LMZYZMOWUHQHFR-GOSISDBHSA-N 2 2 342.443 1.851 20 0 EDADLP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000893027083 591259675 /nfs/dbraw/zinc/25/96/75/591259675.db2.gz RCZWEBKQKIPDFM-CABCVRRESA-N 2 2 342.447 1.997 20 0 EDADLP CN(C)C(=O)CN(CC[NH+](C)C)c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000894546529 591341705 /nfs/dbraw/zinc/34/17/05/591341705.db2.gz FZDSNYHOTXEJIE-UHFFFAOYSA-N 2 2 331.464 1.688 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000894775853 591413055 /nfs/dbraw/zinc/41/30/55/591413055.db2.gz FIHIHEGNUUGDLR-MRXNPFEDSA-N 2 2 341.496 1.726 20 0 EDADLP COCCOC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898716966 591487953 /nfs/dbraw/zinc/48/79/53/591487953.db2.gz BOKWMIPJROHUDE-GHMZBOCLSA-N 2 2 332.242 1.602 20 0 EDADLP Cc1cc(N)nc(NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)[nH+]1 ZINC000895002287 591514432 /nfs/dbraw/zinc/51/44/32/591514432.db2.gz HJCMNJOJNGGRLK-MRXNPFEDSA-N 2 2 327.432 1.989 20 0 EDADLP Cc1cc(N)nc(NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)[nH+]1 ZINC000895002287 591514434 /nfs/dbraw/zinc/51/44/34/591514434.db2.gz HJCMNJOJNGGRLK-MRXNPFEDSA-N 2 2 327.432 1.989 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000896619018 591555239 /nfs/dbraw/zinc/55/52/39/591555239.db2.gz IJMWLEGMKQGCPB-WFASDCNBSA-N 2 2 349.385 1.791 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000896619018 591555241 /nfs/dbraw/zinc/55/52/41/591555241.db2.gz IJMWLEGMKQGCPB-WFASDCNBSA-N 2 2 349.385 1.791 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)CC1 ZINC000897650328 591604866 /nfs/dbraw/zinc/60/48/66/591604866.db2.gz OQJBQBJLPCXQSM-HUUCEWRRSA-N 2 2 327.469 1.695 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c[nH+]1 ZINC000897661086 591611913 /nfs/dbraw/zinc/61/19/13/591611913.db2.gz SXBATWUAHDULGT-INIZCTEOSA-N 2 2 334.464 1.640 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000898964616 591618670 /nfs/dbraw/zinc/61/86/70/591618670.db2.gz GQPDEFSKMNBITD-ZIAGYGMSSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000898964616 591618673 /nfs/dbraw/zinc/61/86/73/591618673.db2.gz GQPDEFSKMNBITD-ZIAGYGMSSA-N 2 2 345.447 1.239 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C[C@H]1Cc1ccccc1 ZINC000897697845 591621647 /nfs/dbraw/zinc/62/16/47/591621647.db2.gz FGXBXHDALVGDNB-RTBURBONSA-N 2 2 343.471 1.092 20 0 EDADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C[C@H]1Cc1ccccc1 ZINC000897697845 591621650 /nfs/dbraw/zinc/62/16/50/591621650.db2.gz FGXBXHDALVGDNB-RTBURBONSA-N 2 2 343.471 1.092 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](c1ccncc1)C1CC1 ZINC000899002722 591631653 /nfs/dbraw/zinc/63/16/53/591631653.db2.gz UILCMVOTNZCYOD-KRWDZBQOSA-N 2 2 333.480 1.715 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](c1ccncc1)C1CC1 ZINC000899002722 591631656 /nfs/dbraw/zinc/63/16/56/591631656.db2.gz UILCMVOTNZCYOD-KRWDZBQOSA-N 2 2 333.480 1.715 20 0 EDADLP C[C@H](CC[NH2+]Cc1cn(C)nc1I)[NH+](C)C ZINC000895290625 591704244 /nfs/dbraw/zinc/70/42/44/591704244.db2.gz OGRSBTNECLEFAY-SECBINFHSA-N 2 2 336.221 1.455 20 0 EDADLP CC1(C)CNC(=O)[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000895315282 591709377 /nfs/dbraw/zinc/70/93/77/591709377.db2.gz CKJOVNBNRMINKA-QGZVFWFLSA-N 2 2 333.451 1.947 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)C1CCOCC1 ZINC000897024061 591717634 /nfs/dbraw/zinc/71/76/34/591717634.db2.gz PSXJGTRCDRPNGL-UHFFFAOYSA-N 2 2 342.528 1.622 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)C1CCOCC1 ZINC000897024061 591717636 /nfs/dbraw/zinc/71/76/36/591717636.db2.gz PSXJGTRCDRPNGL-UHFFFAOYSA-N 2 2 342.528 1.622 20 0 EDADLP OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1nc2ccccc2n2c[nH+]cc12 ZINC000897219948 591774281 /nfs/dbraw/zinc/77/42/81/591774281.db2.gz QNSJYHQEGGRQFD-IRXDYDNUSA-N 2 2 337.427 1.918 20 0 EDADLP OCC[N@H+]1CCC[C@H]2[C@@H]1CCN2c1nc2ccccc2n2c[nH+]cc12 ZINC000897219948 591774283 /nfs/dbraw/zinc/77/42/83/591774283.db2.gz QNSJYHQEGGRQFD-IRXDYDNUSA-N 2 2 337.427 1.918 20 0 EDADLP OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(N2CCSCC2)[nH+]cn1 ZINC000897221108 591775447 /nfs/dbraw/zinc/77/54/47/591775447.db2.gz HGPILPCLHWZANF-LSDHHAIUSA-N 2 2 349.504 1.065 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c[nH+]1 ZINC000897264085 591794064 /nfs/dbraw/zinc/79/40/64/591794064.db2.gz TVVHADMOJSPHGQ-DOTOQJQBSA-N 2 2 347.507 1.411 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902201730 591944593 /nfs/dbraw/zinc/94/45/93/591944593.db2.gz QAYNWGRSTRBLGO-FSIPBHDLSA-N 2 2 340.427 1.364 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902201730 591944595 /nfs/dbraw/zinc/94/45/95/591944595.db2.gz QAYNWGRSTRBLGO-FSIPBHDLSA-N 2 2 340.427 1.364 20 0 EDADLP C/C(=C/C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900219306 591947438 /nfs/dbraw/zinc/94/74/38/591947438.db2.gz SMLCUEWJWMSWIR-SCPXMHTJSA-N 2 2 337.508 1.749 20 0 EDADLP C/C(=C/C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900219306 591947440 /nfs/dbraw/zinc/94/74/40/591947440.db2.gz SMLCUEWJWMSWIR-SCPXMHTJSA-N 2 2 337.508 1.749 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000900283252 591970964 /nfs/dbraw/zinc/97/09/64/591970964.db2.gz FHPDECBBTKXDGZ-MRXNPFEDSA-N 2 2 335.496 1.360 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000900540783 592051541 /nfs/dbraw/zinc/05/15/41/592051541.db2.gz MKHLCZHHFDQZDE-CABCVRRESA-N 2 2 348.447 1.391 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000900540783 592051544 /nfs/dbraw/zinc/05/15/44/592051544.db2.gz MKHLCZHHFDQZDE-CABCVRRESA-N 2 2 348.447 1.391 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3cn(C)nn3)c2cc1C ZINC000902868459 592075023 /nfs/dbraw/zinc/07/50/23/592075023.db2.gz LSODLGKHZJLCKG-UONOGXRCSA-N 2 2 328.420 1.493 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)nc[nH+]1 ZINC000902862320 592077296 /nfs/dbraw/zinc/07/72/96/592077296.db2.gz YYKJWVWAKKXKJN-JROKTQBJSA-N 2 2 343.475 1.890 20 0 EDADLP CCc1nnc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000900668428 592086433 /nfs/dbraw/zinc/08/64/33/592086433.db2.gz BMXCDSQHNLPIRT-ZDUSSCGKSA-N 2 2 337.493 1.341 20 0 EDADLP CCc1nnc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000900668428 592086436 /nfs/dbraw/zinc/08/64/36/592086436.db2.gz BMXCDSQHNLPIRT-ZDUSSCGKSA-N 2 2 337.493 1.341 20 0 EDADLP C[C@@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902964677 592091369 /nfs/dbraw/zinc/09/13/69/592091369.db2.gz XSEGCBCUAJPXOU-CYBMUJFWSA-N 2 2 334.445 1.414 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCO[C@@]23CCOC3)C1 ZINC000903202507 592135079 /nfs/dbraw/zinc/13/50/79/592135079.db2.gz CWTABAPLQAIGLK-VAMGGRTRSA-N 2 2 345.487 1.340 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCO[C@@]23CCOC3)C1 ZINC000903202507 592135081 /nfs/dbraw/zinc/13/50/81/592135081.db2.gz CWTABAPLQAIGLK-VAMGGRTRSA-N 2 2 345.487 1.340 20 0 EDADLP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3NCC[N@@H+]2CCCOCC2)cc1 ZINC000903229247 592143983 /nfs/dbraw/zinc/14/39/83/592143983.db2.gz VYFCGCSWMGQVGP-YOFSQIOKSA-N 2 2 329.488 1.819 20 0 EDADLP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3NCC[N@H+]2CCCOCC2)cc1 ZINC000903229247 592143984 /nfs/dbraw/zinc/14/39/84/592143984.db2.gz VYFCGCSWMGQVGP-YOFSQIOKSA-N 2 2 329.488 1.819 20 0 EDADLP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3NCC[NH+]2CCCOCC2)cc1 ZINC000903229247 592143988 /nfs/dbraw/zinc/14/39/88/592143988.db2.gz VYFCGCSWMGQVGP-YOFSQIOKSA-N 2 2 329.488 1.819 20 0 EDADLP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3NCC[NH+]2CCCOCC2)cc1 ZINC000903229247 592143990 /nfs/dbraw/zinc/14/39/90/592143990.db2.gz VYFCGCSWMGQVGP-YOFSQIOKSA-N 2 2 329.488 1.819 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000903299916 592153230 /nfs/dbraw/zinc/15/32/30/592153230.db2.gz DIFRDKFOQKLGHW-WOSRLPQWSA-N 2 2 333.432 1.873 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000903299916 592153231 /nfs/dbraw/zinc/15/32/31/592153231.db2.gz DIFRDKFOQKLGHW-WOSRLPQWSA-N 2 2 333.432 1.873 20 0 EDADLP CCC[N@H+](CCOCCN1C(=O)c2ccccc2C1=O)[C@H]1CC[NH2+]C1 ZINC000903422621 592170471 /nfs/dbraw/zinc/17/04/71/592170471.db2.gz GRHPGRYOQULNFA-HNNXBMFYSA-N 2 2 345.443 1.373 20 0 EDADLP CCC[N@@H+](CCOCCN1C(=O)c2ccccc2C1=O)[C@H]1CC[NH2+]C1 ZINC000903422621 592170472 /nfs/dbraw/zinc/17/04/72/592170472.db2.gz GRHPGRYOQULNFA-HNNXBMFYSA-N 2 2 345.443 1.373 20 0 EDADLP Brc1c[nH+]c2n1C[C@H]([NH2+][C@H]1CCO[C@]13CCOC3)CC2 ZINC000903478830 592176193 /nfs/dbraw/zinc/17/61/93/592176193.db2.gz HYNBIFKWTUGCAL-SUNKGSAMSA-N 2 2 342.237 1.498 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)NCCOc1cccc(F)c1 ZINC000903484801 592177801 /nfs/dbraw/zinc/17/78/01/592177801.db2.gz FNTWRXSLSYMEFJ-INIZCTEOSA-N 2 2 335.423 1.585 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000903466367 592178623 /nfs/dbraw/zinc/17/86/23/592178623.db2.gz RTYUIBSJACBHBD-HNNXBMFYSA-N 2 2 330.432 1.826 20 0 EDADLP CCc1ccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc1CC ZINC000903566415 592212905 /nfs/dbraw/zinc/21/29/05/592212905.db2.gz SMBOLJNZFOCZIC-UHFFFAOYSA-N 2 2 339.505 1.513 20 0 EDADLP CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000901062936 592221137 /nfs/dbraw/zinc/22/11/37/592221137.db2.gz BMOWSXAXQBBRJG-ROUUACIJSA-N 2 2 342.443 1.748 20 0 EDADLP C[C@]1(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)CCC[NH2+]C1 ZINC000904345206 592235343 /nfs/dbraw/zinc/23/53/43/592235343.db2.gz ABCMXXXPMQFZJF-IBGZPJMESA-N 2 2 348.466 1.772 20 0 EDADLP CN(C(=O)c1c2c(nn1C)CCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906654609 592237468 /nfs/dbraw/zinc/23/74/68/592237468.db2.gz KVICGEAYIJUFFU-OAHLLOKOSA-N 2 2 345.491 1.149 20 0 EDADLP CN(C(=O)c1c2c(nn1C)CCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906654609 592237471 /nfs/dbraw/zinc/23/74/71/592237471.db2.gz KVICGEAYIJUFFU-OAHLLOKOSA-N 2 2 345.491 1.149 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000904384815 592248614 /nfs/dbraw/zinc/24/86/14/592248614.db2.gz OPDUDVSXHOUGBW-GOSISDBHSA-N 2 2 345.447 1.586 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3ccc(OCC(F)F)cc3)C[C@H]2[NH3+])c1 ZINC000904493428 592266596 /nfs/dbraw/zinc/26/65/96/592266596.db2.gz ASPYSKUZZKWXBB-HUUCEWRRSA-N 2 2 336.386 1.991 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469010 592267876 /nfs/dbraw/zinc/26/78/76/592267876.db2.gz HXIHMAMCTLBHLN-FUHWJXTLSA-N 2 2 340.475 1.913 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469010 592267880 /nfs/dbraw/zinc/26/78/80/592267880.db2.gz HXIHMAMCTLBHLN-FUHWJXTLSA-N 2 2 340.475 1.913 20 0 EDADLP C[NH+](C)C[C@](C)(O)CNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000901185576 592268407 /nfs/dbraw/zinc/26/84/07/592268407.db2.gz JBRHUBIOZFHVNN-GOSISDBHSA-N 2 2 328.416 1.290 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c[nH+]1 ZINC000901161785 592272201 /nfs/dbraw/zinc/27/22/01/592272201.db2.gz HSLRVGOAMHQIHZ-ARFHVFGLSA-N 2 2 334.464 1.637 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000906705943 592278331 /nfs/dbraw/zinc/27/83/31/592278331.db2.gz OLZIVJWRUIEKSW-AWEZNQCLSA-N 2 2 341.415 1.140 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC3(C4CC[NH2+]CC4)CC3)ccc2[nH+]1 ZINC000906715696 592285948 /nfs/dbraw/zinc/28/59/48/592285948.db2.gz ZHKOCRFBGSLUTH-UHFFFAOYSA-N 2 2 341.415 1.230 20 0 EDADLP O=C1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1ccccc1 ZINC000903778211 592319400 /nfs/dbraw/zinc/31/94/00/592319400.db2.gz KSBADEXKWKSNSY-KRWDZBQOSA-N 2 2 329.444 1.494 20 0 EDADLP O=C1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1ccccc1 ZINC000903778211 592319406 /nfs/dbraw/zinc/31/94/06/592319406.db2.gz KSBADEXKWKSNSY-KRWDZBQOSA-N 2 2 329.444 1.494 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817980 592325362 /nfs/dbraw/zinc/32/53/62/592325362.db2.gz RODVKLYYNPNENM-UHFFFAOYSA-N 2 2 342.443 1.241 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817980 592325368 /nfs/dbraw/zinc/32/53/68/592325368.db2.gz RODVKLYYNPNENM-UHFFFAOYSA-N 2 2 342.443 1.241 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H]3CC[NH+](C)[C@H](C)C3)co2)C1 ZINC000906798813 592349396 /nfs/dbraw/zinc/34/93/96/592349396.db2.gz PZCSUKVLXAFMEN-RDBSUJKOSA-N 2 2 336.436 1.108 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H]3CC[NH+](C)[C@H](C)C3)co2)C1 ZINC000906798813 592349401 /nfs/dbraw/zinc/34/94/01/592349401.db2.gz PZCSUKVLXAFMEN-RDBSUJKOSA-N 2 2 336.436 1.108 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)co2)C1 ZINC000906798813 592349406 /nfs/dbraw/zinc/34/94/06/592349406.db2.gz PZCSUKVLXAFMEN-RDBSUJKOSA-N 2 2 336.436 1.108 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)co2)C1 ZINC000906798813 592349411 /nfs/dbraw/zinc/34/94/11/592349411.db2.gz PZCSUKVLXAFMEN-RDBSUJKOSA-N 2 2 336.436 1.108 20 0 EDADLP COc1ccc([C@H](CO)[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903891963 592352139 /nfs/dbraw/zinc/35/21/39/592352139.db2.gz DYZUTDQGBLDBSM-QAPCUYQASA-N 2 2 345.447 1.377 20 0 EDADLP COc1ccc([C@H](CO)[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903891963 592352141 /nfs/dbraw/zinc/35/21/41/592352141.db2.gz DYZUTDQGBLDBSM-QAPCUYQASA-N 2 2 345.447 1.377 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)C1 ZINC000906806117 592353737 /nfs/dbraw/zinc/35/37/37/592353737.db2.gz IGSUCJZEZQTPAZ-LSDHHAIUSA-N 2 2 338.521 1.744 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)C1 ZINC000906806117 592353743 /nfs/dbraw/zinc/35/37/43/592353743.db2.gz IGSUCJZEZQTPAZ-LSDHHAIUSA-N 2 2 338.521 1.744 20 0 EDADLP COc1ccccc1OCC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903885207 592363709 /nfs/dbraw/zinc/36/37/09/592363709.db2.gz JMMFPSDVALDKGV-OAHLLOKOSA-N 2 2 345.447 1.722 20 0 EDADLP COc1ccccc1OCC[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903885207 592363711 /nfs/dbraw/zinc/36/37/11/592363711.db2.gz JMMFPSDVALDKGV-OAHLLOKOSA-N 2 2 345.447 1.722 20 0 EDADLP Cc1nc(C2([NH2+]C[C@@H](C[NH3+])Cc3cnn(C)c3C)CCCC2)no1 ZINC000903897798 592366962 /nfs/dbraw/zinc/36/69/62/592366962.db2.gz GLBCTWBDYMEUHS-CQSZACIVSA-N 2 2 332.452 1.596 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CC(=O)NCc2ccccc2)cnn1C ZINC000903896988 592367045 /nfs/dbraw/zinc/36/70/45/592367045.db2.gz WZCZYWDDLTVKPG-KRWDZBQOSA-N 2 2 343.475 1.094 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CC(=O)NCc2ccccc2)cnn1C ZINC000903896988 592367051 /nfs/dbraw/zinc/36/70/51/592367051.db2.gz WZCZYWDDLTVKPG-KRWDZBQOSA-N 2 2 343.475 1.094 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cnn1C ZINC000903934185 592386645 /nfs/dbraw/zinc/38/66/45/592386645.db2.gz DCYOYJRZJPDQSP-BPLDGKMQSA-N 3 2 347.429 1.305 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cnn1C ZINC000903934185 592386653 /nfs/dbraw/zinc/38/66/53/592386653.db2.gz DCYOYJRZJPDQSP-BPLDGKMQSA-N 3 2 347.429 1.305 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000903937510 592388086 /nfs/dbraw/zinc/38/80/86/592388086.db2.gz MIYSGHXFGQLVGH-DYEKYZERSA-N 2 2 347.385 1.744 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[C@@H](C(F)(F)F)O1 ZINC000903937510 592388090 /nfs/dbraw/zinc/38/80/90/592388090.db2.gz MIYSGHXFGQLVGH-DYEKYZERSA-N 2 2 347.385 1.744 20 0 EDADLP Cc1ccc([C@H](C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)[NH+]2CCCC2)cc1 ZINC000905075507 592403464 /nfs/dbraw/zinc/40/34/64/592403464.db2.gz ITMMSPQYXLOJLI-HSALFYBXSA-N 2 2 348.487 1.624 20 0 EDADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](O)CC2(O)CCCC2)CC1 ZINC000905100089 592404900 /nfs/dbraw/zinc/40/49/00/592404900.db2.gz AVLYDUMLPAZNOG-OAHLLOKOSA-N 2 2 328.497 1.522 20 0 EDADLP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCCn3cc[nH+]c3)C2)[C@@H]1C(C)C ZINC000905136283 592430903 /nfs/dbraw/zinc/43/09/03/592430903.db2.gz HLMIVHRUSJLPSL-XLMAVXFVSA-N 2 2 349.479 1.052 20 0 EDADLP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCCn3cc[nH+]c3)C2)[C@@H]1C(C)C ZINC000905136283 592430905 /nfs/dbraw/zinc/43/09/05/592430905.db2.gz HLMIVHRUSJLPSL-XLMAVXFVSA-N 2 2 349.479 1.052 20 0 EDADLP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000905139294 592432775 /nfs/dbraw/zinc/43/27/75/592432775.db2.gz SYFNWCFTHDFLRD-HBPKQKSZSA-N 2 2 349.479 1.051 20 0 EDADLP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C2 ZINC000905139294 592432778 /nfs/dbraw/zinc/43/27/78/592432778.db2.gz SYFNWCFTHDFLRD-HBPKQKSZSA-N 2 2 349.479 1.051 20 0 EDADLP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCCn1cc[nH+]c1)C2 ZINC000905139229 592433066 /nfs/dbraw/zinc/43/30/66/592433066.db2.gz RRCADXQRKGXFMQ-YFHUEUNASA-N 2 2 349.479 1.052 20 0 EDADLP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCCCn1cc[nH+]c1)C2 ZINC000905139229 592433069 /nfs/dbraw/zinc/43/30/69/592433069.db2.gz RRCADXQRKGXFMQ-YFHUEUNASA-N 2 2 349.479 1.052 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000904318143 592476118 /nfs/dbraw/zinc/47/61/18/592476118.db2.gz MQLHTUNNYCPLMZ-RBUKOAKNSA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000904318143 592476121 /nfs/dbraw/zinc/47/61/21/592476121.db2.gz MQLHTUNNYCPLMZ-RBUKOAKNSA-N 3 2 338.540 1.103 20 0 EDADLP CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000908398060 592479955 /nfs/dbraw/zinc/47/99/55/592479955.db2.gz FCUSWNCNJUYKSH-IAGOWNOFSA-N 2 2 340.427 1.678 20 0 EDADLP C[C@@H](C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)S(C)(=O)=O ZINC000905434522 592533776 /nfs/dbraw/zinc/53/37/76/592533776.db2.gz ABDPDRZQGHFYBL-YOEHRIQHSA-N 2 2 337.489 1.816 20 0 EDADLP C[C@@H](C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)S(C)(=O)=O ZINC000905434522 592533780 /nfs/dbraw/zinc/53/37/80/592533780.db2.gz ABDPDRZQGHFYBL-YOEHRIQHSA-N 2 2 337.489 1.816 20 0 EDADLP CCN1C[C@H](C[N@H+](C)C[C@H](O)C[NH+]2CCCC2)Oc2ccccc21 ZINC000908553124 592535866 /nfs/dbraw/zinc/53/58/66/592535866.db2.gz NZPLYQULSAVLPV-IRXDYDNUSA-N 2 2 333.476 1.662 20 0 EDADLP CCN1C[C@H](C[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)Oc2ccccc21 ZINC000908553124 592535872 /nfs/dbraw/zinc/53/58/72/592535872.db2.gz NZPLYQULSAVLPV-IRXDYDNUSA-N 2 2 333.476 1.662 20 0 EDADLP CC(C)[NH2+]C1(CO)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000908611812 592554102 /nfs/dbraw/zinc/55/41/02/592554102.db2.gz DMDIWPCGOFUWJF-UHFFFAOYSA-N 2 2 334.464 1.113 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C2(O)CCC2)CCOCC1 ZINC000905576598 592578044 /nfs/dbraw/zinc/57/80/44/592578044.db2.gz OFXCFMGXWGFYHI-GOSISDBHSA-N 2 2 348.487 1.533 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C2(O)CCC2)CCOCC1 ZINC000905576598 592578046 /nfs/dbraw/zinc/57/80/46/592578046.db2.gz OFXCFMGXWGFYHI-GOSISDBHSA-N 2 2 348.487 1.533 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000905680478 592610309 /nfs/dbraw/zinc/61/03/09/592610309.db2.gz WOBZGHHPJWBCPD-QGZVFWFLSA-N 2 2 329.485 1.584 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000905680478 592610311 /nfs/dbraw/zinc/61/03/11/592610311.db2.gz WOBZGHHPJWBCPD-QGZVFWFLSA-N 2 2 329.485 1.584 20 0 EDADLP O=C1CC[C@@H](Nc2cc(NCC3CC3)[nH+]cn2)[C@H](C2CC[NH2+]CC2)N1 ZINC000905715068 592621598 /nfs/dbraw/zinc/62/15/98/592621598.db2.gz JLACELCLHHKXIL-KDOFPFPSSA-N 2 2 344.463 1.357 20 0 EDADLP O=C1CC[C@@H](Nc2cc(NCC3CC3)nc[nH+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC000905715068 592621599 /nfs/dbraw/zinc/62/15/99/592621599.db2.gz JLACELCLHHKXIL-KDOFPFPSSA-N 2 2 344.463 1.357 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)C1 ZINC000905937863 592689381 /nfs/dbraw/zinc/68/93/81/592689381.db2.gz NMFSSRMRDBSRRJ-IAGOWNOFSA-N 2 2 328.497 1.237 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)C1 ZINC000905937863 592689384 /nfs/dbraw/zinc/68/93/84/592689384.db2.gz NMFSSRMRDBSRRJ-IAGOWNOFSA-N 2 2 328.497 1.237 20 0 EDADLP CN(C)c1[nH]c2ccc(NC(=O)C[C@@]3(O)CCC[N@H+](C)C3)cc2[nH+]1 ZINC000907808519 592812542 /nfs/dbraw/zinc/81/25/42/592812542.db2.gz FYDLEHRMZQQKAO-KRWDZBQOSA-N 2 2 331.420 1.414 20 0 EDADLP CN(C)c1[nH]c2ccc(NC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)cc2[nH+]1 ZINC000907808519 592812544 /nfs/dbraw/zinc/81/25/44/592812544.db2.gz FYDLEHRMZQQKAO-KRWDZBQOSA-N 2 2 331.420 1.414 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907937613 592849828 /nfs/dbraw/zinc/84/98/28/592849828.db2.gz FTTSVMKTRVIGEC-MAUKXSAKSA-N 2 2 334.464 1.803 20 0 EDADLP CCc1nc[nH]c1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190045 592945953 /nfs/dbraw/zinc/94/59/53/592945953.db2.gz FMQJDYAEJXBYSA-UHFFFAOYSA-N 2 2 333.480 1.604 20 0 EDADLP CCc1nc[nH]c1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190045 592945954 /nfs/dbraw/zinc/94/59/54/592945954.db2.gz FMQJDYAEJXBYSA-UHFFFAOYSA-N 2 2 333.480 1.604 20 0 EDADLP O=C(Nc1c[nH+]ccc1Nc1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000911739604 592993905 /nfs/dbraw/zinc/99/39/05/592993905.db2.gz VSYBDMMMSPVKEA-INIZCTEOSA-N 2 2 338.411 1.906 20 0 EDADLP CC[C@H](C(=O)Nc1cccc(OCC[NH3+])c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911760425 593006150 /nfs/dbraw/zinc/00/61/50/593006150.db2.gz AYCZFNICUJNNDV-DOTOQJQBSA-N 2 2 335.448 1.852 20 0 EDADLP CC[C@H](C(=O)Nc1cccc(OCC[NH3+])c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911760425 593006152 /nfs/dbraw/zinc/00/61/52/593006152.db2.gz AYCZFNICUJNNDV-DOTOQJQBSA-N 2 2 335.448 1.852 20 0 EDADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)CCO1 ZINC000911882742 593030297 /nfs/dbraw/zinc/03/02/97/593030297.db2.gz VUCCNFNINMPPNZ-GARJFASQSA-N 2 2 334.342 1.031 20 0 EDADLP C[NH+]1CCC(N(CCO)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000911935355 593039206 /nfs/dbraw/zinc/03/92/06/593039206.db2.gz QILYNJXPYJFNOV-UHFFFAOYSA-N 2 2 328.416 1.401 20 0 EDADLP [NH3+]Cc1ncc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000912029128 593049673 /nfs/dbraw/zinc/04/96/73/593049673.db2.gz JKSKVFGMDHNSEX-UHFFFAOYSA-N 2 2 338.477 1.367 20 0 EDADLP CN(C(=O)COCc1ccccn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807072089 593141834 /nfs/dbraw/zinc/14/18/34/593141834.db2.gz XGFQLELMGRNUQW-GOSISDBHSA-N 2 2 346.475 1.225 20 0 EDADLP CN(C(=O)COCc1ccccn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807072089 593141835 /nfs/dbraw/zinc/14/18/35/593141835.db2.gz XGFQLELMGRNUQW-GOSISDBHSA-N 2 2 346.475 1.225 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C[C@@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085556 593152675 /nfs/dbraw/zinc/15/26/75/593152675.db2.gz FSMMDZRJYALZLH-LPHOPBHVSA-N 2 2 328.460 1.773 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C[C@@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085556 593152678 /nfs/dbraw/zinc/15/26/78/593152678.db2.gz FSMMDZRJYALZLH-LPHOPBHVSA-N 2 2 328.460 1.773 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C[C@@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085556 593152679 /nfs/dbraw/zinc/15/26/79/593152679.db2.gz FSMMDZRJYALZLH-LPHOPBHVSA-N 2 2 328.460 1.773 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C[C@@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085556 593152680 /nfs/dbraw/zinc/15/26/80/593152680.db2.gz FSMMDZRJYALZLH-LPHOPBHVSA-N 2 2 328.460 1.773 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000867029357 593215743 /nfs/dbraw/zinc/21/57/43/593215743.db2.gz BPZPDQQHSJRMHU-KUZNAAJDSA-N 2 2 329.444 1.436 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000867029357 593215746 /nfs/dbraw/zinc/21/57/46/593215746.db2.gz BPZPDQQHSJRMHU-KUZNAAJDSA-N 2 2 329.444 1.436 20 0 EDADLP Cn1cc([C@@H]2N(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C(=O)C2(C)C)cn1 ZINC000808173416 593234173 /nfs/dbraw/zinc/23/41/73/593234173.db2.gz IKWGBOJGLNAMHL-HIFRSBDPSA-N 2 2 342.447 1.510 20 0 EDADLP Cn1cc([C@@H]2N(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C(=O)C2(C)C)cn1 ZINC000808173416 593234174 /nfs/dbraw/zinc/23/41/74/593234174.db2.gz IKWGBOJGLNAMHL-HIFRSBDPSA-N 2 2 342.447 1.510 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCn2c(CCc3ccccc3)nnc2C1 ZINC000838896194 593235827 /nfs/dbraw/zinc/23/58/27/593235827.db2.gz XXXPOWRPTHXGHV-UHFFFAOYSA-N 2 2 336.443 1.855 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCn2c(CCc3ccccc3)nnc2C1 ZINC000838896194 593235830 /nfs/dbraw/zinc/23/58/30/593235830.db2.gz XXXPOWRPTHXGHV-UHFFFAOYSA-N 2 2 336.443 1.855 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCCNC3=O)CC2)cc1 ZINC000839195377 593275163 /nfs/dbraw/zinc/27/51/63/593275163.db2.gz HZPFOJQJWBUCMV-OAHLLOKOSA-N 2 2 330.476 1.837 20 0 EDADLP C[C@@]12C(=O)N(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C(=O)[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000840002120 593331060 /nfs/dbraw/zinc/33/10/60/593331060.db2.gz FQIZUFANCQWIGE-CUGJGTHOSA-N 2 2 342.443 1.899 20 0 EDADLP C[C@@]12C(=O)N(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C(=O)[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000840002120 593331064 /nfs/dbraw/zinc/33/10/64/593331064.db2.gz FQIZUFANCQWIGE-CUGJGTHOSA-N 2 2 342.443 1.899 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)[C@@H](C2CC2)C12CCOCC2 ZINC000840005380 593340900 /nfs/dbraw/zinc/34/09/00/593340900.db2.gz CJXIOPYIQKFINC-WMZOPIPTSA-N 2 2 347.503 1.779 20 0 EDADLP O=C1N(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)[C@@H](C2CC2)C12CCOCC2 ZINC000840005380 593340903 /nfs/dbraw/zinc/34/09/03/593340903.db2.gz CJXIOPYIQKFINC-WMZOPIPTSA-N 2 2 347.503 1.779 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](F)C(F)(F)F ZINC000810300591 593392090 /nfs/dbraw/zinc/39/20/90/593392090.db2.gz ZJIHCDITYQNCQP-NEPJUHHUSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](F)C(F)(F)F ZINC000810300591 593392093 /nfs/dbraw/zinc/39/20/93/593392093.db2.gz ZJIHCDITYQNCQP-NEPJUHHUSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810300591 593392095 /nfs/dbraw/zinc/39/20/95/593392095.db2.gz ZJIHCDITYQNCQP-NEPJUHHUSA-N 2 2 327.366 1.761 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810300591 593392097 /nfs/dbraw/zinc/39/20/97/593392097.db2.gz ZJIHCDITYQNCQP-NEPJUHHUSA-N 2 2 327.366 1.761 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cn3cccnc3=S)CC2)CC1 ZINC000758264263 593399423 /nfs/dbraw/zinc/39/94/23/593399423.db2.gz KYLWVYBJUBRELS-UHFFFAOYSA-N 2 2 335.521 1.920 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817983349 593653364 /nfs/dbraw/zinc/65/33/64/593653364.db2.gz MPJZYMAPHCOHPB-ZYHUDNBSSA-N 2 2 334.388 1.322 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817983347 593653388 /nfs/dbraw/zinc/65/33/88/593653388.db2.gz MPJZYMAPHCOHPB-PWSUYJOCSA-N 2 2 334.388 1.322 20 0 EDADLP CCS(=O)(=O)CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000818988475 593732726 /nfs/dbraw/zinc/73/27/26/593732726.db2.gz QOBOYFAZQOQXFL-AWEZNQCLSA-N 2 2 330.519 1.984 20 0 EDADLP CCS(=O)(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000818988475 593732727 /nfs/dbraw/zinc/73/27/27/593732727.db2.gz QOBOYFAZQOQXFL-AWEZNQCLSA-N 2 2 330.519 1.984 20 0 EDADLP O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681739 593833270 /nfs/dbraw/zinc/83/32/70/593833270.db2.gz JYNAWTBRGSFRCH-HNNXBMFYSA-N 2 2 339.403 1.503 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2c(Cl)cccc2-c2nn[nH]n2)CC1 ZINC000821583024 593868608 /nfs/dbraw/zinc/86/86/08/593868608.db2.gz GMQKWNSEZITKRL-UHFFFAOYSA-N 2 2 349.870 1.958 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821687540 593914479 /nfs/dbraw/zinc/91/44/79/593914479.db2.gz DIZBUCVNJXMLNP-UHFFFAOYSA-N 2 2 336.465 1.519 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc2cccnc2c1 ZINC000824431139 594010073 /nfs/dbraw/zinc/01/00/73/594010073.db2.gz ATWBLIZIYAXAFQ-UHFFFAOYSA-N 2 2 328.460 1.777 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc2cccnc2c1 ZINC000824431139 594010074 /nfs/dbraw/zinc/01/00/74/594010074.db2.gz ATWBLIZIYAXAFQ-UHFFFAOYSA-N 2 2 328.460 1.777 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824699978 594058892 /nfs/dbraw/zinc/05/88/92/594058892.db2.gz WJMUXEDQSVQUBK-GFCCVEGCSA-N 2 2 348.426 1.283 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000824699978 594058894 /nfs/dbraw/zinc/05/88/94/594058894.db2.gz WJMUXEDQSVQUBK-GFCCVEGCSA-N 2 2 348.426 1.283 20 0 EDADLP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000825199262 594146479 /nfs/dbraw/zinc/14/64/79/594146479.db2.gz VFRSXKPDVQBRGR-MSOLQXFVSA-N 2 2 329.444 1.882 20 0 EDADLP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000825199262 594146481 /nfs/dbraw/zinc/14/64/81/594146481.db2.gz VFRSXKPDVQBRGR-MSOLQXFVSA-N 2 2 329.444 1.882 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H](C(N)=O)C3)CC2)cc1 ZINC000825280232 594160951 /nfs/dbraw/zinc/16/09/51/594160951.db2.gz ZFFINFXASGIUKK-GOEBONIOSA-N 2 2 330.476 1.965 20 0 EDADLP CO[C@H](C[NH3+])Cc1nc(CCn2c[nH+]c3cc(C)c(C)cc32)no1 ZINC000823286617 594180508 /nfs/dbraw/zinc/18/05/08/594180508.db2.gz DGLCMWTVAATKDH-ZDUSSCGKSA-N 2 2 329.404 1.795 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(c2[nH+]c(C)ccc2-c2nn[nH]n2)C1 ZINC000825412900 594181557 /nfs/dbraw/zinc/18/15/57/594181557.db2.gz WIDQEKXVTNRKPE-AWEZNQCLSA-N 2 2 345.451 1.507 20 0 EDADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1N ZINC000827975923 594313593 /nfs/dbraw/zinc/31/35/93/594313593.db2.gz MPYDFMOHMCMEOJ-UHFFFAOYSA-N 2 2 330.476 1.866 20 0 EDADLP OCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826509894 594510022 /nfs/dbraw/zinc/51/00/22/594510022.db2.gz OZKWYRWMXGEINB-QGZVFWFLSA-N 2 2 342.447 1.290 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000826555876 594524679 /nfs/dbraw/zinc/52/46/79/594524679.db2.gz DLGOIRAGHSKVCC-SFHVURJKSA-N 2 2 342.443 1.288 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000826555876 594524680 /nfs/dbraw/zinc/52/46/80/594524680.db2.gz DLGOIRAGHSKVCC-SFHVURJKSA-N 2 2 342.443 1.288 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)cc1 ZINC000826596581 594535399 /nfs/dbraw/zinc/53/53/99/594535399.db2.gz CXROELNCVMUWOL-GOSISDBHSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)cc1 ZINC000826596581 594535400 /nfs/dbraw/zinc/53/54/00/594535400.db2.gz CXROELNCVMUWOL-GOSISDBHSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000826596603 594535419 /nfs/dbraw/zinc/53/54/19/594535419.db2.gz DEDIVYZDEIFWEN-GOSISDBHSA-N 2 2 342.443 1.288 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC000826596603 594535420 /nfs/dbraw/zinc/53/54/20/594535420.db2.gz DEDIVYZDEIFWEN-GOSISDBHSA-N 2 2 342.443 1.288 20 0 EDADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000826677847 594553018 /nfs/dbraw/zinc/55/30/18/594553018.db2.gz PVCLSMKBKKJQIV-GFCCVEGCSA-N 2 2 345.451 1.138 20 0 EDADLP CN(C)c1nc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]c2ccccc21 ZINC000827495915 594677360 /nfs/dbraw/zinc/67/73/60/594677360.db2.gz ABGJTELEFFBJEY-ZIAGYGMSSA-N 2 2 327.432 1.971 20 0 EDADLP CN(C)c1nc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]c2ccccc21 ZINC000827495915 594677361 /nfs/dbraw/zinc/67/73/61/594677361.db2.gz ABGJTELEFFBJEY-ZIAGYGMSSA-N 2 2 327.432 1.971 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@H](C)C1 ZINC000832122737 594728003 /nfs/dbraw/zinc/72/80/03/594728003.db2.gz SKYAWWDIAMNXPM-DNVCBOLYSA-N 2 2 349.450 1.820 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@H](C)C1 ZINC000832122737 594728004 /nfs/dbraw/zinc/72/80/04/594728004.db2.gz SKYAWWDIAMNXPM-DNVCBOLYSA-N 2 2 349.450 1.820 20 0 EDADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000841100087 594850840 /nfs/dbraw/zinc/85/08/40/594850840.db2.gz TZLVUWUWEWGILI-PKOBYXMFSA-N 3 2 341.459 1.986 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000841672666 594933644 /nfs/dbraw/zinc/93/36/44/594933644.db2.gz MCUKRTDZORXZJH-INIZCTEOSA-N 2 2 332.383 1.110 20 0 EDADLP O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cccnc1-n1cc[nH+]c1 ZINC000841692639 594938300 /nfs/dbraw/zinc/93/83/00/594938300.db2.gz XCMIXZDTNJMJGD-OAHLLOKOSA-N 2 2 328.420 1.599 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000841690786 594938466 /nfs/dbraw/zinc/93/84/66/594938466.db2.gz LZJFSAHAVCIYEF-HIFRSBDPSA-N 2 2 328.420 1.679 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841932921 594984804 /nfs/dbraw/zinc/98/48/04/594984804.db2.gz ZAIMNVNJZWQFLY-QAPCUYQASA-N 2 2 346.475 1.192 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000842008936 595001173 /nfs/dbraw/zinc/00/11/73/595001173.db2.gz XZKMULXFMCWDQN-CVEARBPZSA-N 2 2 328.501 1.646 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000867200225 595017116 /nfs/dbraw/zinc/01/71/16/595017116.db2.gz IGQCUXQTLWHEGQ-UPHRSURJSA-N 2 2 344.459 1.303 20 0 EDADLP CN(C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C1CCC([NH3+])CC1 ZINC000842203513 595037529 /nfs/dbraw/zinc/03/75/29/595037529.db2.gz UANMQMIJJJWGLO-DQPZFDDXSA-N 2 2 344.459 1.018 20 0 EDADLP CN(C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C1CCC([NH3+])CC1 ZINC000842203513 595037534 /nfs/dbraw/zinc/03/75/34/595037534.db2.gz UANMQMIJJJWGLO-DQPZFDDXSA-N 2 2 344.459 1.018 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC000843262071 595056925 /nfs/dbraw/zinc/05/69/25/595056925.db2.gz MPJTXMDZLPXBLB-HNNXBMFYSA-N 2 2 349.479 1.592 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC[C@H]1c1ccc(F)cc1 ZINC000842513333 595124763 /nfs/dbraw/zinc/12/47/63/595124763.db2.gz BHFGVEYKHFIJEF-DZGCQCFKSA-N 2 2 343.406 1.152 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nc(Br)cs1 ZINC000834543376 595159363 /nfs/dbraw/zinc/15/93/63/595159363.db2.gz DLQJJVMRPXNNLD-VIFPVBQESA-N 2 2 347.282 1.330 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)CC[C@@H]21 ZINC000867425403 595247020 /nfs/dbraw/zinc/24/70/20/595247020.db2.gz GLHINUZBWHSZNL-ILXRZTDVSA-N 2 2 345.447 1.016 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)CC[C@@H]21 ZINC000867425403 595247021 /nfs/dbraw/zinc/24/70/21/595247021.db2.gz GLHINUZBWHSZNL-ILXRZTDVSA-N 2 2 345.447 1.016 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000843107637 595288252 /nfs/dbraw/zinc/28/82/52/595288252.db2.gz GBKQXNQQHWRURH-OALUTQOASA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000843107637 595288253 /nfs/dbraw/zinc/28/82/53/595288253.db2.gz GBKQXNQQHWRURH-OALUTQOASA-N 2 2 332.419 1.942 20 0 EDADLP CC[NH2+]CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000844181541 595294473 /nfs/dbraw/zinc/29/44/73/595294473.db2.gz UYTKFQNJGKBULX-UHFFFAOYSA-N 2 2 326.404 1.871 20 0 EDADLP COC(=O)c1cc2ccccc2cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846670002 595297318 /nfs/dbraw/zinc/29/73/18/595297318.db2.gz SROYVCIGWPWASQ-OAHLLOKOSA-N 2 2 329.400 1.844 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000844224187 595308554 /nfs/dbraw/zinc/30/85/54/595308554.db2.gz DKXNUEWBICRVRZ-LSDHHAIUSA-N 2 2 347.507 1.400 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000844224187 595308555 /nfs/dbraw/zinc/30/85/55/595308555.db2.gz DKXNUEWBICRVRZ-LSDHHAIUSA-N 2 2 347.507 1.400 20 0 EDADLP O=C1N[C@@H]2C[N@H+](Cc3ccnc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000844226601 595309702 /nfs/dbraw/zinc/30/97/02/595309702.db2.gz PAJNQWSZLHJDQA-CABCVRRESA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000844226601 595309703 /nfs/dbraw/zinc/30/97/03/595309703.db2.gz PAJNQWSZLHJDQA-CABCVRRESA-N 2 2 349.866 1.455 20 0 EDADLP COc1ccc(COC[C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000846877174 595331033 /nfs/dbraw/zinc/33/10/33/595331033.db2.gz FGZTWXLHJGIDEK-INIZCTEOSA-N 2 2 346.431 1.118 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)CC1=O ZINC000844375910 595333002 /nfs/dbraw/zinc/33/30/02/595333002.db2.gz NFWKFPKPHYYOJP-HNNXBMFYSA-N 2 2 325.840 1.079 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)CC1=O ZINC000844375910 595333004 /nfs/dbraw/zinc/33/30/04/595333004.db2.gz NFWKFPKPHYYOJP-HNNXBMFYSA-N 2 2 325.840 1.079 20 0 EDADLP CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000844375457 595333265 /nfs/dbraw/zinc/33/32/65/595333265.db2.gz QGKYHDTVKFQFOD-RDJZCZTQSA-N 2 2 337.464 1.311 20 0 EDADLP CON1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000846976179 595345167 /nfs/dbraw/zinc/34/51/67/595345167.db2.gz JRFYXTVSZZLQAI-UHFFFAOYSA-N 2 2 346.475 1.078 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCCC[N@H+](CC)C1CCCCC1 ZINC000844922635 595414788 /nfs/dbraw/zinc/41/47/88/595414788.db2.gz OPLKMZKNPWNSKZ-IAGOWNOFSA-N 2 2 325.497 1.914 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCCC[N@@H+](CC)C1CCCCC1 ZINC000844922635 595414789 /nfs/dbraw/zinc/41/47/89/595414789.db2.gz OPLKMZKNPWNSKZ-IAGOWNOFSA-N 2 2 325.497 1.914 20 0 EDADLP C[C@H](CC(=O)OCC(=O)NC1CC[NH+](C2CC2)CC1)n1cc[nH+]c1 ZINC000845274834 595472929 /nfs/dbraw/zinc/47/29/29/595472929.db2.gz APYPRIVFBPNOGT-CYBMUJFWSA-N 2 2 334.420 1.120 20 0 EDADLP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000849009946 595474362 /nfs/dbraw/zinc/47/43/62/595474362.db2.gz NMXGTVVZJOZMSD-AEFFLSMTSA-N 2 2 345.491 1.490 20 0 EDADLP COc1cc[nH+]cc1NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849517674 595557091 /nfs/dbraw/zinc/55/70/91/595557091.db2.gz MKJTVVWQVLQWFT-KGLIPLIRSA-N 2 2 329.404 1.498 20 0 EDADLP COc1cc[nH+]cc1NC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849517674 595557094 /nfs/dbraw/zinc/55/70/94/595557094.db2.gz MKJTVVWQVLQWFT-KGLIPLIRSA-N 2 2 329.404 1.498 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000852870844 595590240 /nfs/dbraw/zinc/59/02/40/595590240.db2.gz YUSCAGMOWGNXOF-LLVKDONJSA-N 2 2 341.406 1.288 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000852870844 595590244 /nfs/dbraw/zinc/59/02/44/595590244.db2.gz YUSCAGMOWGNXOF-LLVKDONJSA-N 2 2 341.406 1.288 20 0 EDADLP Cc1n[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1Br ZINC000855416589 595705422 /nfs/dbraw/zinc/70/54/22/595705422.db2.gz PBDACFHLMMFLRP-UHFFFAOYSA-N 2 2 346.273 1.094 20 0 EDADLP Cc1n[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000855416589 595705421 /nfs/dbraw/zinc/70/54/21/595705421.db2.gz PBDACFHLMMFLRP-UHFFFAOYSA-N 2 2 346.273 1.094 20 0 EDADLP COc1ccc(Cl)cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858224627 595735641 /nfs/dbraw/zinc/73/56/41/595735641.db2.gz NBFUYNLNJXVSFK-AWEZNQCLSA-N 2 2 325.840 1.778 20 0 EDADLP COc1ccc(Cl)cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858224627 595735643 /nfs/dbraw/zinc/73/56/43/595735643.db2.gz NBFUYNLNJXVSFK-AWEZNQCLSA-N 2 2 325.840 1.778 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H](C)[NH+]3CCCCC3)cc2[nH+]1 ZINC000850353507 595815860 /nfs/dbraw/zinc/81/58/60/595815860.db2.gz DWPWORLFJMQVJP-AWEZNQCLSA-N 2 2 343.431 1.572 20 0 EDADLP CC[C@@H](OC(=O)Cn1c[nH+]cc1C)[C@@H](C)OC(=O)Cn1c[nH+]cc1C ZINC000860846548 595815893 /nfs/dbraw/zinc/81/58/93/595815893.db2.gz AQCGNHJGHNJHDM-HUUCEWRRSA-N 2 2 348.403 1.650 20 0 EDADLP CC[C@H](OC(=O)Cn1c[nH+]cc1C)[C@@H](C)OC(=O)Cn1c[nH+]cc1C ZINC000860846546 595816343 /nfs/dbraw/zinc/81/63/43/595816343.db2.gz AQCGNHJGHNJHDM-CABCVRRESA-N 2 2 348.403 1.650 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000853595179 595822829 /nfs/dbraw/zinc/82/28/29/595822829.db2.gz YCONTXOEHZVMII-DOTOQJQBSA-N 2 2 340.427 1.847 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000853595179 595822830 /nfs/dbraw/zinc/82/28/30/595822830.db2.gz YCONTXOEHZVMII-DOTOQJQBSA-N 2 2 340.427 1.847 20 0 EDADLP Cn1nc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850396496 595827397 /nfs/dbraw/zinc/82/73/97/595827397.db2.gz KKSCXFQXWWDUQK-LBPRGKRZSA-N 2 2 343.269 1.526 20 0 EDADLP CCCNC(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583997 596020858 /nfs/dbraw/zinc/02/08/58/596020858.db2.gz BKPXBSZTUQIUMZ-KRWDZBQOSA-N 2 2 334.464 1.513 20 0 EDADLP CCCNC(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583997 596020862 /nfs/dbraw/zinc/02/08/62/596020862.db2.gz BKPXBSZTUQIUMZ-KRWDZBQOSA-N 2 2 334.464 1.513 20 0 EDADLP CCCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856583997 596020866 /nfs/dbraw/zinc/02/08/66/596020866.db2.gz BKPXBSZTUQIUMZ-KRWDZBQOSA-N 2 2 334.464 1.513 20 0 EDADLP CCCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856583997 596020869 /nfs/dbraw/zinc/02/08/69/596020869.db2.gz BKPXBSZTUQIUMZ-KRWDZBQOSA-N 2 2 334.464 1.513 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nncn3C)C2)ccn1 ZINC000856603068 596031527 /nfs/dbraw/zinc/03/15/27/596031527.db2.gz ZVOXNLPDUXVZDD-QGZVFWFLSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nncn3C)C2)ccn1 ZINC000856603068 596031531 /nfs/dbraw/zinc/03/15/31/596031531.db2.gz ZVOXNLPDUXVZDD-QGZVFWFLSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nncn3C)C2)ccn1 ZINC000856603068 596031537 /nfs/dbraw/zinc/03/15/37/596031537.db2.gz ZVOXNLPDUXVZDD-QGZVFWFLSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nncn3C)C2)ccn1 ZINC000856603068 596031541 /nfs/dbraw/zinc/03/15/41/596031541.db2.gz ZVOXNLPDUXVZDD-QGZVFWFLSA-N 2 2 344.463 1.704 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOc1cccnc1 ZINC000114603251 596088713 /nfs/dbraw/zinc/08/87/13/596088713.db2.gz YDXLBHNKELHXQT-UHFFFAOYSA-N 2 2 349.479 1.128 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOc1cccnc1 ZINC000114603251 596088717 /nfs/dbraw/zinc/08/87/17/596088717.db2.gz YDXLBHNKELHXQT-UHFFFAOYSA-N 2 2 349.479 1.128 20 0 EDADLP C[NH+](C)CCOc1ccc(C=CC(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000861762513 596093934 /nfs/dbraw/zinc/09/39/34/596093934.db2.gz WKCAMEDBPPLKJB-VMPITWQZSA-N 2 2 340.427 1.948 20 0 EDADLP C[NH+](C)CCOc1ccc(C=CC(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000861762513 596093940 /nfs/dbraw/zinc/09/39/40/596093940.db2.gz WKCAMEDBPPLKJB-VMPITWQZSA-N 2 2 340.427 1.948 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3nccc3C)CC2)CC1 ZINC000862018989 596183785 /nfs/dbraw/zinc/18/37/85/596183785.db2.gz IORIWQHTKNADQQ-UHFFFAOYSA-N 2 2 333.480 1.210 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3nccc3C)CC2)CC1 ZINC000862018989 596183788 /nfs/dbraw/zinc/18/37/88/596183788.db2.gz IORIWQHTKNADQQ-UHFFFAOYSA-N 2 2 333.480 1.210 20 0 EDADLP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1cc2ccccc2o1 ZINC000852707995 596230815 /nfs/dbraw/zinc/23/08/15/596230815.db2.gz NTCTZQSUPSBHBF-DLBZAZTESA-N 2 2 330.428 1.997 20 0 EDADLP O[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1cc2ccccc2o1 ZINC000852707995 596230818 /nfs/dbraw/zinc/23/08/18/596230818.db2.gz NTCTZQSUPSBHBF-DLBZAZTESA-N 2 2 330.428 1.997 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000866526124 596242351 /nfs/dbraw/zinc/24/23/51/596242351.db2.gz CURJTPRTWZQZKB-RHSMWYFYSA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000866526124 596242354 /nfs/dbraw/zinc/24/23/54/596242354.db2.gz CURJTPRTWZQZKB-RHSMWYFYSA-N 2 2 337.508 1.865 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000864595689 596275217 /nfs/dbraw/zinc/27/52/17/596275217.db2.gz RVYNNDBONMSPAN-ARJAWSKDSA-N 2 2 343.471 1.787 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)Cc1ccccc1 ZINC000864613490 596282438 /nfs/dbraw/zinc/28/24/38/596282438.db2.gz XFKFQHOHWRVGDW-KKMIYCERSA-N 2 2 331.460 1.164 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@H](O)c2ccc(F)cc2)nn1 ZINC000864646137 596295495 /nfs/dbraw/zinc/29/54/95/596295495.db2.gz URMLCGHTJKNWQX-QGZVFWFLSA-N 2 2 335.427 1.382 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@H](O)c2ccc(F)cc2)nn1 ZINC000864646137 596295499 /nfs/dbraw/zinc/29/54/99/596295499.db2.gz URMLCGHTJKNWQX-QGZVFWFLSA-N 2 2 335.427 1.382 20 0 EDADLP O=C(CN1CCC[C@H]2[NH2+]CC[C@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000866724806 596311364 /nfs/dbraw/zinc/31/13/64/596311364.db2.gz NBIBHPVKSGNCNZ-IAGOWNOFSA-N 2 2 348.516 1.219 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000870854560 596378381 /nfs/dbraw/zinc/37/83/81/596378381.db2.gz LFXYODYMYIHYSE-FDYSRKEFSA-N 2 2 343.471 1.536 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000870854560 596378386 /nfs/dbraw/zinc/37/83/86/596378386.db2.gz LFXYODYMYIHYSE-FDYSRKEFSA-N 2 2 343.471 1.536 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000870861495 596380693 /nfs/dbraw/zinc/38/06/93/596380693.db2.gz ZQPAGRVFAOPEHB-BZSNNMDCSA-N 2 2 331.460 1.694 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)cc1 ZINC000870979132 596426518 /nfs/dbraw/zinc/42/65/18/596426518.db2.gz GLZHIRGOOPMTDF-KURKYZTESA-N 2 2 331.460 1.439 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)cc1 ZINC000870979132 596426520 /nfs/dbraw/zinc/42/65/20/596426520.db2.gz GLZHIRGOOPMTDF-KURKYZTESA-N 2 2 331.460 1.439 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000870980480 596427931 /nfs/dbraw/zinc/42/79/31/596427931.db2.gz URLRYXIZEJNIJB-CQSZACIVSA-N 2 2 335.452 1.322 20 0 EDADLP COc1ccc(OC)c2sc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc21 ZINC000871012986 596438915 /nfs/dbraw/zinc/43/89/15/596438915.db2.gz KUOWDEVYOIHPFW-VIFPVBQESA-N 2 2 338.433 1.531 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)c1ccco1 ZINC000865028451 596449418 /nfs/dbraw/zinc/44/94/18/596449418.db2.gz MZCNYEZKVWTPJY-WHWKNOJMSA-N 2 2 335.448 1.667 20 0 EDADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000865160098 596495272 /nfs/dbraw/zinc/49/52/72/596495272.db2.gz YJXMVLLMHCBBOS-YVMONPNESA-N 2 2 345.487 1.774 20 0 EDADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865528466 596601115 /nfs/dbraw/zinc/60/11/15/596601115.db2.gz IINIBOGGZAQGGQ-KRWDZBQOSA-N 2 2 336.386 1.522 20 0 EDADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(-c2cc(F)ccc2F)n1 ZINC000865528466 596601116 /nfs/dbraw/zinc/60/11/16/596601116.db2.gz IINIBOGGZAQGGQ-KRWDZBQOSA-N 2 2 336.386 1.522 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)C[C@H](C)O1 ZINC000867903721 596610384 /nfs/dbraw/zinc/61/03/84/596610384.db2.gz JTLAJYHSJZRABT-QLFBSQMISA-N 2 2 347.450 1.531 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)C[C@H](C)O1 ZINC000867903721 596610387 /nfs/dbraw/zinc/61/03/87/596610387.db2.gz JTLAJYHSJZRABT-QLFBSQMISA-N 2 2 347.450 1.531 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)C[C@H](C)O1 ZINC000867903721 596610389 /nfs/dbraw/zinc/61/03/89/596610389.db2.gz JTLAJYHSJZRABT-QLFBSQMISA-N 2 2 347.450 1.531 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)C[C@H](C)O1 ZINC000867903721 596610393 /nfs/dbraw/zinc/61/03/93/596610393.db2.gz JTLAJYHSJZRABT-QLFBSQMISA-N 2 2 347.450 1.531 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000867997826 596648904 /nfs/dbraw/zinc/64/89/04/596648904.db2.gz KOUJLGUQJYPSNX-FHWLQOOXSA-N 2 2 345.487 1.700 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000867997826 596648908 /nfs/dbraw/zinc/64/89/08/596648908.db2.gz KOUJLGUQJYPSNX-FHWLQOOXSA-N 2 2 345.487 1.700 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)[C@H](C)C1 ZINC000865687753 596651213 /nfs/dbraw/zinc/65/12/13/596651213.db2.gz UWFNBKUBYSAREQ-HZPDHXFCSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(c2cc(NCc3ccccc3)[nH+]cn2)[C@H](C)C1 ZINC000865687753 596651215 /nfs/dbraw/zinc/65/12/15/596651215.db2.gz UWFNBKUBYSAREQ-HZPDHXFCSA-N 2 2 341.459 1.980 20 0 EDADLP CCO[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000865751173 596670190 /nfs/dbraw/zinc/67/01/90/596670190.db2.gz WJQCLKIHHONWIS-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP CCO[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000865751173 596670192 /nfs/dbraw/zinc/67/01/92/596670192.db2.gz WJQCLKIHHONWIS-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868096773 596684568 /nfs/dbraw/zinc/68/45/68/596684568.db2.gz WKGMMUWRVGFVBH-UHFFFAOYSA-N 2 2 328.420 1.638 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1C ZINC000868180728 596713470 /nfs/dbraw/zinc/71/34/70/596713470.db2.gz CHTMEBQIMDNSSA-GDBMZVCRSA-N 2 2 332.448 1.943 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1C ZINC000868180728 596713472 /nfs/dbraw/zinc/71/34/72/596713472.db2.gz CHTMEBQIMDNSSA-GDBMZVCRSA-N 2 2 332.448 1.943 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N(CCC[NH3+])CC3CCCC3)cc2C1 ZINC000868206256 596723736 /nfs/dbraw/zinc/72/37/36/596723736.db2.gz VCYAGSBSKBBFFP-UHFFFAOYSA-N 2 2 334.468 1.701 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N(CCC[NH3+])CC3CCCC3)cc2C1 ZINC000868206256 596723737 /nfs/dbraw/zinc/72/37/37/596723737.db2.gz VCYAGSBSKBBFFP-UHFFFAOYSA-N 2 2 334.468 1.701 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)[nH+]c2c1 ZINC000868278256 596760260 /nfs/dbraw/zinc/76/02/60/596760260.db2.gz AJVGIMFLFVTJRL-ZBFHGGJFSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)[nH+]c2c1 ZINC000868278256 596760262 /nfs/dbraw/zinc/76/02/62/596760262.db2.gz AJVGIMFLFVTJRL-ZBFHGGJFSA-N 2 2 327.432 1.878 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1)C1CC1 ZINC000870157383 596779647 /nfs/dbraw/zinc/77/96/47/596779647.db2.gz VUEPEMQKGMLUGN-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(OC)c2)CC1)C1CC1 ZINC000870157383 596779649 /nfs/dbraw/zinc/77/96/49/596779649.db2.gz VUEPEMQKGMLUGN-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868354118 596797139 /nfs/dbraw/zinc/79/71/39/596797139.db2.gz MVVGQMNRYKUACZ-OAHLLOKOSA-N 2 2 331.464 1.917 20 0 EDADLP [NH3+]C[C@@]1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CCCOC1 ZINC000872172782 596819838 /nfs/dbraw/zinc/81/98/38/596819838.db2.gz HNDSMUDNUWCGGJ-SFHVURJKSA-N 2 2 339.399 1.988 20 0 EDADLP CNc1nc(N2CCC([NH+]3CCN(C)CC3)CC2)[nH+]c2ccccc21 ZINC000866213761 596829834 /nfs/dbraw/zinc/82/98/34/596829834.db2.gz XSHYGGUKYFWYHE-UHFFFAOYSA-N 2 2 340.475 1.888 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)Cc2ccc[nH+]c21 ZINC000868429795 596835365 /nfs/dbraw/zinc/83/53/65/596835365.db2.gz JFBXETFTIKLRMA-HZPDHXFCSA-N 2 2 331.464 1.916 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000872235831 596847832 /nfs/dbraw/zinc/84/78/32/596847832.db2.gz KTPPWBXMHPPRQW-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000872235831 596847837 /nfs/dbraw/zinc/84/78/37/596847837.db2.gz KTPPWBXMHPPRQW-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000872235831 596847842 /nfs/dbraw/zinc/84/78/42/596847842.db2.gz KTPPWBXMHPPRQW-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000872235831 596847845 /nfs/dbraw/zinc/84/78/45/596847845.db2.gz KTPPWBXMHPPRQW-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccc(CN2CCO[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000872235831 596847850 /nfs/dbraw/zinc/84/78/50/596847850.db2.gz KTPPWBXMHPPRQW-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccc(CN2CCO[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000872235831 596847855 /nfs/dbraw/zinc/84/78/55/596847855.db2.gz KTPPWBXMHPPRQW-VQTJNVASSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000866298877 596851204 /nfs/dbraw/zinc/85/12/04/596851204.db2.gz FZHNHYHYOKBZBF-PKOBYXMFSA-N 2 2 345.487 1.449 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CN1CCC2(CCCC2)C1=O ZINC000872592905 596980351 /nfs/dbraw/zinc/98/03/51/596980351.db2.gz SBTGTNDPDDYJCW-BRWVUGGUSA-N 2 2 335.492 1.920 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CN1CCC2(CCCC2)C1=O ZINC000872592905 596980352 /nfs/dbraw/zinc/98/03/52/596980352.db2.gz SBTGTNDPDDYJCW-BRWVUGGUSA-N 2 2 335.492 1.920 20 0 EDADLP CC1=NO[C@@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000875977047 597054069 /nfs/dbraw/zinc/05/40/69/597054069.db2.gz PHELTNUFDBFSPP-MRXNPFEDSA-N 2 2 337.468 1.009 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)nc[nH+]2)C1 ZINC000872778141 597063696 /nfs/dbraw/zinc/06/36/96/597063696.db2.gz BDYWFNBTYPUEFF-FZKCQIBNSA-N 2 2 331.464 1.357 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@@H]3CCC[N@H+]4C)nc[nH+]2)C1 ZINC000872778141 597063700 /nfs/dbraw/zinc/06/37/00/597063700.db2.gz BDYWFNBTYPUEFF-FZKCQIBNSA-N 2 2 331.464 1.357 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000874700357 597143404 /nfs/dbraw/zinc/14/34/04/597143404.db2.gz JLGUHIUJJQLJGI-INIZCTEOSA-N 2 2 328.416 1.713 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000874700357 597143405 /nfs/dbraw/zinc/14/34/05/597143405.db2.gz JLGUHIUJJQLJGI-INIZCTEOSA-N 2 2 328.416 1.713 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000874707309 597152641 /nfs/dbraw/zinc/15/26/41/597152641.db2.gz JGKWUFNUTYBKPO-INIZCTEOSA-N 2 2 344.459 1.962 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000874707309 597152643 /nfs/dbraw/zinc/15/26/43/597152643.db2.gz JGKWUFNUTYBKPO-INIZCTEOSA-N 2 2 344.459 1.962 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)nn2)cc1 ZINC000873013035 597160305 /nfs/dbraw/zinc/16/03/05/597160305.db2.gz RDEYVUONVRJXOW-AWEZNQCLSA-N 2 2 326.404 1.710 20 0 EDADLP C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873205381 597227068 /nfs/dbraw/zinc/22/70/68/597227068.db2.gz NOALSKZAETVNGX-NSHDSACASA-N 2 2 328.503 1.791 20 0 EDADLP C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873205381 597227071 /nfs/dbraw/zinc/22/70/71/597227071.db2.gz NOALSKZAETVNGX-NSHDSACASA-N 2 2 328.503 1.791 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000873260988 597241502 /nfs/dbraw/zinc/24/15/02/597241502.db2.gz AKLGSYOBOPNEQP-PBHICJAKSA-N 2 2 332.448 1.068 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N[C@H]3CCCCC34CC[NH2+]CC4)cc2C1 ZINC000873333824 597259887 /nfs/dbraw/zinc/25/98/87/597259887.db2.gz MDLZVWAMSZPCQR-HNNXBMFYSA-N 2 2 346.479 1.762 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N[C@H]3CCCCC34CC[NH2+]CC4)cc2C1 ZINC000873333824 597259890 /nfs/dbraw/zinc/25/98/90/597259890.db2.gz MDLZVWAMSZPCQR-HNNXBMFYSA-N 2 2 346.479 1.762 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)cn2c1 ZINC000875132352 597295078 /nfs/dbraw/zinc/29/50/78/597295078.db2.gz PCNALVFGEAUCAF-AWEZNQCLSA-N 2 2 345.447 1.287 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)cn2c1 ZINC000875132352 597295081 /nfs/dbraw/zinc/29/50/81/597295081.db2.gz PCNALVFGEAUCAF-AWEZNQCLSA-N 2 2 345.447 1.287 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3c(C[NH3+])cnn3C)n2)C1 ZINC000876709091 597297086 /nfs/dbraw/zinc/29/70/86/597297086.db2.gz IRBOODFLTYHDQF-NSHDSACASA-N 2 2 348.476 1.820 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c(C[NH3+])cnn3C)n2)C1 ZINC000876709091 597297090 /nfs/dbraw/zinc/29/70/90/597297090.db2.gz IRBOODFLTYHDQF-NSHDSACASA-N 2 2 348.476 1.820 20 0 EDADLP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000876710548 597298201 /nfs/dbraw/zinc/29/82/01/597298201.db2.gz JRQQOVPLQPBGPB-DOTOQJQBSA-N 2 2 335.423 1.157 20 0 EDADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1(F)F ZINC000876711083 597298884 /nfs/dbraw/zinc/29/88/84/597298884.db2.gz RGYFWCVKTQODRM-HUUCEWRRSA-N 2 2 339.386 1.050 20 0 EDADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCCNc1cccc[nH+]1 ZINC000876727597 597308373 /nfs/dbraw/zinc/30/83/73/597308373.db2.gz OSGORPHFIHTPMU-OAHLLOKOSA-N 2 2 342.447 1.743 20 0 EDADLP C[C@@H](CNC(=O)c1csc(C2CC[NH2+]CC2)n1)Cn1cc[nH+]c1 ZINC000876731733 597311511 /nfs/dbraw/zinc/31/15/11/597311511.db2.gz UEIMZEVZQNYZJD-LBPRGKRZSA-N 2 2 333.461 1.873 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000876785023 597339419 /nfs/dbraw/zinc/33/94/19/597339419.db2.gz ODYJJFUETVOCLV-JKSUJKDBSA-N 3 2 340.487 1.001 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000875345630 597392900 /nfs/dbraw/zinc/39/29/00/597392900.db2.gz HLSSPEJUKUBWOM-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000875345630 597392905 /nfs/dbraw/zinc/39/29/05/597392905.db2.gz HLSSPEJUKUBWOM-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000877032144 597417528 /nfs/dbraw/zinc/41/75/28/597417528.db2.gz ZOSWKTKXENLTCE-SFHVURJKSA-N 3 2 339.524 1.455 20 0 EDADLP Cc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](CC(C)(C)O)CC3)C2=O)cc1 ZINC000877043270 597420434 /nfs/dbraw/zinc/42/04/34/597420434.db2.gz DORUVMDUAGRXKU-GOSISDBHSA-N 2 2 345.487 1.925 20 0 EDADLP Cc1cc(C)cc(CC[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000877153412 597444482 /nfs/dbraw/zinc/44/44/82/597444482.db2.gz VUWCDBYVWNZSBN-IBGZPJMESA-N 2 2 345.487 1.369 20 0 EDADLP COC(=O)c1cn(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nn1 ZINC000125480424 597473980 /nfs/dbraw/zinc/47/39/80/597473980.db2.gz BTURIPLMVGGRSY-OAHLLOKOSA-N 2 2 349.479 1.999 20 0 EDADLP COC(=O)c1cn(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nn1 ZINC000125480424 597473984 /nfs/dbraw/zinc/47/39/84/597473984.db2.gz BTURIPLMVGGRSY-OAHLLOKOSA-N 2 2 349.479 1.999 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C3=CC[C@H]([NH3+])C3)C2)cc1 ZINC000877248211 597478413 /nfs/dbraw/zinc/47/84/13/597478413.db2.gz HUZMYYYHRMMSPY-ZWKOTPCHSA-N 2 2 329.444 1.360 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C3=CC[C@H]([NH3+])C3)C2)cc1 ZINC000877248211 597478415 /nfs/dbraw/zinc/47/84/15/597478415.db2.gz HUZMYYYHRMMSPY-ZWKOTPCHSA-N 2 2 329.444 1.360 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H]1C(F)(F)F ZINC000877358925 597500561 /nfs/dbraw/zinc/50/05/61/597500561.db2.gz GGWZENQHBAJTFI-VXGBXAGGSA-N 2 2 339.321 1.477 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH+]1CC2(C1)CCOC2 ZINC000877554121 597534697 /nfs/dbraw/zinc/53/46/97/597534697.db2.gz FZGKAKHFAGFMMM-UHFFFAOYSA-N 2 2 332.444 1.620 20 0 EDADLP CCOC(=O)N1CCC(C)(C[NH2+][C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000877559198 597535511 /nfs/dbraw/zinc/53/55/11/597535511.db2.gz TXCJPOFIPSCPOV-INIZCTEOSA-N 2 2 341.496 1.681 20 0 EDADLP CCOC(=O)N1CCC(C)(C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000877559198 597535512 /nfs/dbraw/zinc/53/55/12/597535512.db2.gz TXCJPOFIPSCPOV-INIZCTEOSA-N 2 2 341.496 1.681 20 0 EDADLP CCOC(=O)N1CCC(C)(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000877666108 597546239 /nfs/dbraw/zinc/54/62/39/597546239.db2.gz WOEKQOZHVLHYJN-HNNXBMFYSA-N 2 2 341.496 1.680 20 0 EDADLP CCOC(=O)N1CCC(C)(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000877666108 597546240 /nfs/dbraw/zinc/54/62/40/597546240.db2.gz WOEKQOZHVLHYJN-HNNXBMFYSA-N 2 2 341.496 1.680 20 0 EDADLP C[NH+](C)C[C@@H]1CN(Cc2cc3c(c[nH+]2)OCCO3)C[C@H]1C[NH+](C)C ZINC000877670201 597546584 /nfs/dbraw/zinc/54/65/84/597546584.db2.gz IOBBNWVFPHPVDP-HUUCEWRRSA-N 3 2 334.464 1.024 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878108917 597579355 /nfs/dbraw/zinc/57/93/55/597579355.db2.gz KENZRLZNIOHJIU-QGZVFWFLSA-N 2 2 326.481 1.493 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000878108917 597579356 /nfs/dbraw/zinc/57/93/56/597579356.db2.gz KENZRLZNIOHJIU-QGZVFWFLSA-N 2 2 326.481 1.493 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000878114798 597579647 /nfs/dbraw/zinc/57/96/47/597579647.db2.gz QJSTVGSIFUJJSR-KRWDZBQOSA-N 2 2 333.501 1.987 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000878114798 597579648 /nfs/dbraw/zinc/57/96/48/597579648.db2.gz QJSTVGSIFUJJSR-KRWDZBQOSA-N 2 2 333.501 1.987 20 0 EDADLP Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nc1Cl ZINC000878337986 597596450 /nfs/dbraw/zinc/59/64/50/597596450.db2.gz LAMYMPHBXAGSHM-UHFFFAOYSA-N 2 2 339.867 1.703 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879603353 597654015 /nfs/dbraw/zinc/65/40/15/597654015.db2.gz CLMKZCHXMMZRGC-SFHVURJKSA-N 2 2 349.475 1.690 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879603353 597654020 /nfs/dbraw/zinc/65/40/20/597654020.db2.gz CLMKZCHXMMZRGC-SFHVURJKSA-N 2 2 349.475 1.690 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCS2(=O)=O)[C@H](C)C1 ZINC000883307326 597710908 /nfs/dbraw/zinc/71/09/08/597710908.db2.gz QVWBVNKGGHRTCM-ZACQAIPSSA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCS2(=O)=O)[C@H](C)C1 ZINC000883307326 597710910 /nfs/dbraw/zinc/71/09/10/597710910.db2.gz QVWBVNKGGHRTCM-ZACQAIPSSA-N 2 2 346.537 1.680 20 0 EDADLP Cc1ccc2c(C[N@H+]3CCC[C@](O)(C[NH+](C)C)C3)cc(=O)oc2c1 ZINC000878869270 597740367 /nfs/dbraw/zinc/74/03/67/597740367.db2.gz ZZGGRTWOTMWQFU-IBGZPJMESA-N 2 2 330.428 1.990 20 0 EDADLP Cc1ccc2c(C[N@@H+]3CCC[C@](O)(C[NH+](C)C)C3)cc(=O)oc2c1 ZINC000878869270 597740370 /nfs/dbraw/zinc/74/03/70/597740370.db2.gz ZZGGRTWOTMWQFU-IBGZPJMESA-N 2 2 330.428 1.990 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCC23CC[NH+](C)CC3)cc1 ZINC000878954763 597766080 /nfs/dbraw/zinc/76/60/80/597766080.db2.gz FMYIHPGBSOHEPX-SFHVURJKSA-N 2 2 343.471 1.966 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCC23CC[NH+](C)CC3)cc1 ZINC000878954763 597766082 /nfs/dbraw/zinc/76/60/82/597766082.db2.gz FMYIHPGBSOHEPX-SFHVURJKSA-N 2 2 343.471 1.966 20 0 EDADLP Cc1nc2nc(C)cc(N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000881978029 597825027 /nfs/dbraw/zinc/82/50/27/597825027.db2.gz WGBRNYUKNYOQJH-CQSZACIVSA-N 2 2 329.452 1.322 20 0 EDADLP Cc1nc2nc(C)cc(N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000881978029 597825029 /nfs/dbraw/zinc/82/50/29/597825029.db2.gz WGBRNYUKNYOQJH-CQSZACIVSA-N 2 2 329.452 1.322 20 0 EDADLP CCC1([NH+]2CCCCC2)CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000880256205 597884608 /nfs/dbraw/zinc/88/46/08/597884608.db2.gz GJSNJQUXMCGUSG-UHFFFAOYSA-N 2 2 345.553 1.998 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000882394875 597955862 /nfs/dbraw/zinc/95/58/62/597955862.db2.gz KBLXLMBCJDWOIB-KRWDZBQOSA-N 2 2 339.443 1.886 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882394875 597955863 /nfs/dbraw/zinc/95/58/63/597955863.db2.gz KBLXLMBCJDWOIB-KRWDZBQOSA-N 2 2 339.443 1.886 20 0 EDADLP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000884470069 598114337 /nfs/dbraw/zinc/11/43/37/598114337.db2.gz DJRNAVVTWGAEDZ-MOPGFXCFSA-N 2 2 347.503 1.946 20 0 EDADLP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000884470069 598114340 /nfs/dbraw/zinc/11/43/40/598114340.db2.gz DJRNAVVTWGAEDZ-MOPGFXCFSA-N 2 2 347.503 1.946 20 0 EDADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030987332 695092467 /nfs/dbraw/zinc/09/24/67/695092467.db2.gz NCXNKUJNCYIQTM-QGTPRVQTSA-N 2 2 331.460 1.167 20 0 EDADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030987332 695092471 /nfs/dbraw/zinc/09/24/71/695092471.db2.gz NCXNKUJNCYIQTM-QGTPRVQTSA-N 2 2 331.460 1.167 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000914183185 695260852 /nfs/dbraw/zinc/26/08/52/695260852.db2.gz NCKYZXBFDBQESW-CYBMUJFWSA-N 2 2 341.525 1.980 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000914293949 695341108 /nfs/dbraw/zinc/34/11/08/695341108.db2.gz SHSRNBXLPULTPW-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)o1 ZINC000939856326 699995047 /nfs/dbraw/zinc/99/50/47/699995047.db2.gz KRCKEIOFMNAQRG-OCCSQVGLSA-N 2 2 331.420 1.379 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c(C)s1 ZINC000939857999 699997109 /nfs/dbraw/zinc/99/71/09/699997109.db2.gz WEBXSJYVCXGJRL-NHYWBVRUSA-N 2 2 333.461 1.593 20 0 EDADLP Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992922803 695455615 /nfs/dbraw/zinc/45/56/15/695455615.db2.gz HZCWVAZSHVTWTI-BZUAXINKSA-N 2 2 342.447 1.034 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc[nH+]1 ZINC001060487330 695525070 /nfs/dbraw/zinc/52/50/70/695525070.db2.gz RTEJUQBPEWQQFE-QFXBJFAPSA-N 2 2 341.459 1.353 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc[nH+]1 ZINC001060487330 695525072 /nfs/dbraw/zinc/52/50/72/695525072.db2.gz RTEJUQBPEWQQFE-QFXBJFAPSA-N 2 2 341.459 1.353 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001031104386 695527516 /nfs/dbraw/zinc/52/75/16/695527516.db2.gz QTOXQJVGNSFQAF-KDOFPFPSSA-N 2 2 331.460 1.730 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](CCOC3CCC3)C2)cc1 ZINC001031104633 695528585 /nfs/dbraw/zinc/52/85/85/695528585.db2.gz YNGIGHVVESUURN-UHFFFAOYSA-N 2 2 331.460 1.731 20 0 EDADLP COc1cccc(C[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1C ZINC001031259464 696071490 /nfs/dbraw/zinc/07/14/90/696071490.db2.gz BWVVAIIWVGFYCG-HNNXBMFYSA-N 2 2 331.460 1.646 20 0 EDADLP COc1cccc(C[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1C ZINC001031259464 696071494 /nfs/dbraw/zinc/07/14/94/696071494.db2.gz BWVVAIIWVGFYCG-HNNXBMFYSA-N 2 2 331.460 1.646 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC[N@@H+]1CCCO ZINC000993620105 696262840 /nfs/dbraw/zinc/26/28/40/696262840.db2.gz DAHDGPPRMIVTJU-MAUKXSAKSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCC[N@H+]1CCCO ZINC000993620105 696262842 /nfs/dbraw/zinc/26/28/42/696262842.db2.gz DAHDGPPRMIVTJU-MAUKXSAKSA-N 2 2 342.443 1.837 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1nc(C[NH+](C)C)cs1)C1CC1 ZINC000916117351 696623037 /nfs/dbraw/zinc/62/30/37/696623037.db2.gz MIRCVNVWLCAVFH-UHFFFAOYSA-N 2 2 325.482 1.488 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1nc(C[NH+](C)C)cs1)C1CC1 ZINC000916117351 696623039 /nfs/dbraw/zinc/62/30/39/696623039.db2.gz MIRCVNVWLCAVFH-UHFFFAOYSA-N 2 2 325.482 1.488 20 0 EDADLP CCn1nnc(C)c1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994404082 696826586 /nfs/dbraw/zinc/82/65/86/696826586.db2.gz DYBNVUNMEXTDRS-CVEARBPZSA-N 2 2 348.495 1.171 20 0 EDADLP CCn1nnc(C)c1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994404082 696826589 /nfs/dbraw/zinc/82/65/89/696826589.db2.gz DYBNVUNMEXTDRS-CVEARBPZSA-N 2 2 348.495 1.171 20 0 EDADLP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cn1 ZINC000994408078 696831540 /nfs/dbraw/zinc/83/15/40/696831540.db2.gz MUGMBJIALMPZMJ-PBHICJAKSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cn1 ZINC000994408078 696831542 /nfs/dbraw/zinc/83/15/42/696831542.db2.gz MUGMBJIALMPZMJ-PBHICJAKSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnn(C)c2)[C@H]1C ZINC000994425955 696848222 /nfs/dbraw/zinc/84/82/22/696848222.db2.gz SIAFMLDZNQAILL-XJKSGUPXSA-N 2 2 330.436 1.094 20 0 EDADLP C[N@@H+]1CCC[C@H]1Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000917023564 696879363 /nfs/dbraw/zinc/87/93/63/696879363.db2.gz GXHXZTKSYIIEEM-IRXDYDNUSA-N 2 2 342.447 1.341 20 0 EDADLP C[N@H+]1CCC[C@H]1Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000917023564 696879368 /nfs/dbraw/zinc/87/93/68/696879368.db2.gz GXHXZTKSYIIEEM-IRXDYDNUSA-N 2 2 342.447 1.341 20 0 EDADLP C[NH+]1CCC[C@H]1Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000917023564 696879371 /nfs/dbraw/zinc/87/93/71/696879371.db2.gz GXHXZTKSYIIEEM-IRXDYDNUSA-N 2 2 342.447 1.341 20 0 EDADLP C[NH+]1CCC[C@H]1Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000917023564 696879375 /nfs/dbraw/zinc/87/93/75/696879375.db2.gz GXHXZTKSYIIEEM-IRXDYDNUSA-N 2 2 342.447 1.341 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994500962 696944557 /nfs/dbraw/zinc/94/45/57/696944557.db2.gz AJMNMTTWLOAZJP-CZUORRHYSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994500962 696944560 /nfs/dbraw/zinc/94/45/60/696944560.db2.gz AJMNMTTWLOAZJP-CZUORRHYSA-N 2 2 331.420 1.657 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCc1ccns1 ZINC000994537728 697076981 /nfs/dbraw/zinc/07/69/81/697076981.db2.gz TXKAILJCJDKEMX-HIFRSBDPSA-N 2 2 333.461 1.551 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCc1ccns1 ZINC000994537728 697076982 /nfs/dbraw/zinc/07/69/82/697076982.db2.gz TXKAILJCJDKEMX-HIFRSBDPSA-N 2 2 333.461 1.551 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1F ZINC001031577117 697273129 /nfs/dbraw/zinc/27/31/29/697273129.db2.gz JAZWBZMRPXYLIZ-MRXNPFEDSA-N 2 2 335.423 1.477 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1F ZINC001031577117 697273130 /nfs/dbraw/zinc/27/31/30/697273130.db2.gz JAZWBZMRPXYLIZ-MRXNPFEDSA-N 2 2 335.423 1.477 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031593585 697292564 /nfs/dbraw/zinc/29/25/64/697292564.db2.gz DQWUROMYFMEXFP-SUMWQHHRSA-N 2 2 335.423 1.265 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031593585 697292566 /nfs/dbraw/zinc/29/25/66/697292566.db2.gz DQWUROMYFMEXFP-SUMWQHHRSA-N 2 2 335.423 1.265 20 0 EDADLP COc1ccnc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031665614 697445724 /nfs/dbraw/zinc/44/57/24/697445724.db2.gz BRPAZUYIAFRDGL-SFHVURJKSA-N 2 2 346.475 1.511 20 0 EDADLP COc1ccnc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031665614 697445726 /nfs/dbraw/zinc/44/57/26/697445726.db2.gz BRPAZUYIAFRDGL-SFHVURJKSA-N 2 2 346.475 1.511 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000921330628 697557946 /nfs/dbraw/zinc/55/79/46/697557946.db2.gz NAHLTTWQJBMWRL-GXTWGEPZSA-N 2 2 339.509 1.877 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000921330631 697558019 /nfs/dbraw/zinc/55/80/19/697558019.db2.gz NAHLTTWQJBMWRL-TZMCWYRMSA-N 2 2 339.509 1.877 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)c(C)n1 ZINC000943177782 697873421 /nfs/dbraw/zinc/87/34/21/697873421.db2.gz PVENPCGWXFZFRK-ACJLOTCBSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)c(C)n1 ZINC000943177782 697873426 /nfs/dbraw/zinc/87/34/26/697873426.db2.gz PVENPCGWXFZFRK-ACJLOTCBSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC000995036553 700188325 /nfs/dbraw/zinc/18/83/25/700188325.db2.gz LKCIEYBKZHZVTK-HOTGVXAUSA-N 2 2 342.447 1.365 20 0 EDADLP CCc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)no1 ZINC000995037750 700213725 /nfs/dbraw/zinc/21/37/25/700213725.db2.gz OIYTVVSWHYRKLG-KBPBESRZSA-N 2 2 346.435 1.212 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nncs2)C1 ZINC000995038577 700226851 /nfs/dbraw/zinc/22/68/51/700226851.db2.gz QSIVEEVACBJACD-OLZOCXBDSA-N 2 2 334.449 1.118 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001031776851 699169972 /nfs/dbraw/zinc/16/99/72/699169972.db2.gz QBXXPSUEKSYWBR-KRWDZBQOSA-N 2 2 347.507 1.670 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001031776851 699169974 /nfs/dbraw/zinc/16/99/74/699169974.db2.gz QBXXPSUEKSYWBR-KRWDZBQOSA-N 2 2 347.507 1.670 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)n1 ZINC000939128868 699207833 /nfs/dbraw/zinc/20/78/33/699207833.db2.gz QXNIVRCLFXZDPW-JSGCOSHPSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)n1 ZINC000939128868 699207836 /nfs/dbraw/zinc/20/78/36/699207836.db2.gz QXNIVRCLFXZDPW-JSGCOSHPSA-N 2 2 335.452 1.046 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCCCO2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031783522 699210532 /nfs/dbraw/zinc/21/05/32/699210532.db2.gz XZBHRFFRRCHFCU-HZPDHXFCSA-N 2 2 332.448 1.063 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCCO2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784302 699215942 /nfs/dbraw/zinc/21/59/42/699215942.db2.gz OWAGGGLPEAIMQY-SJLPKXTDSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000939133760 699218464 /nfs/dbraw/zinc/21/84/64/699218464.db2.gz UPGMRSCGROAYQO-JSGCOSHPSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000939133760 699218466 /nfs/dbraw/zinc/21/84/66/699218466.db2.gz UPGMRSCGROAYQO-JSGCOSHPSA-N 2 2 337.493 1.207 20 0 EDADLP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784827 699219865 /nfs/dbraw/zinc/21/98/65/699219865.db2.gz YLHZRHWXNBBXCM-QGZVFWFLSA-N 2 2 346.475 1.310 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001031801384 699347144 /nfs/dbraw/zinc/34/71/44/699347144.db2.gz DNFNTJLWXIJACN-KRWDZBQOSA-N 2 2 333.480 1.089 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001031801384 699347148 /nfs/dbraw/zinc/34/71/48/699347148.db2.gz DNFNTJLWXIJACN-KRWDZBQOSA-N 2 2 333.480 1.089 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031802809 699351154 /nfs/dbraw/zinc/35/11/54/699351154.db2.gz WNQJADRLBZJIPA-QGZVFWFLSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031802809 699351157 /nfs/dbraw/zinc/35/11/57/699351157.db2.gz WNQJADRLBZJIPA-QGZVFWFLSA-N 2 2 334.464 1.651 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939211189 699359499 /nfs/dbraw/zinc/35/94/99/699359499.db2.gz RAXXOPBVYYZDHS-FZMZJTMJSA-N 2 2 333.823 1.637 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939211448 699359525 /nfs/dbraw/zinc/35/95/25/699359525.db2.gz SAAZSCANHYKSKC-CXAGYDPISA-N 2 2 344.463 1.675 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)o1 ZINC000939399295 699548570 /nfs/dbraw/zinc/54/85/70/699548570.db2.gz WQSAFBNQIAGKOD-LSDHHAIUSA-N 2 2 349.479 1.300 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1[NH2+]CC1CC1 ZINC000939464077 699597251 /nfs/dbraw/zinc/59/72/51/699597251.db2.gz NNSBKSVEIPCUGG-GUYCJALGSA-N 2 2 325.416 1.727 20 0 EDADLP Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cc1 ZINC000939533575 699671389 /nfs/dbraw/zinc/67/13/89/699671389.db2.gz BSMJLKSRDSPTHS-QFBILLFUSA-N 2 2 340.471 1.950 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cc1 ZINC000939535034 699676163 /nfs/dbraw/zinc/67/61/63/699676163.db2.gz OPXPNFXMGUMIFY-MAUKXSAKSA-N 2 2 326.444 1.908 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939535892 699676787 /nfs/dbraw/zinc/67/67/87/699676787.db2.gz SLJVHCVWLSZPJS-BDJLRTHQSA-N 2 2 331.420 1.204 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000939535877 699676839 /nfs/dbraw/zinc/67/68/39/699676839.db2.gz SHJDABVJFDTORU-DYVFJYSZSA-N 2 2 330.407 1.738 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)s1 ZINC000939536561 699677754 /nfs/dbraw/zinc/67/77/54/699677754.db2.gz WTGFFQUBHVFXMQ-BXUZGUMPSA-N 2 2 333.461 1.364 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1ccon1 ZINC000939550768 699699873 /nfs/dbraw/zinc/69/98/73/699699873.db2.gz PTCYNOAEBNIMIM-IUODEOHRSA-N 2 2 329.404 1.386 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)cs1 ZINC000939625702 699763315 /nfs/dbraw/zinc/76/33/15/699763315.db2.gz DOWLFHCBFMQIIU-ZBEGNZNMSA-N 2 2 347.488 1.705 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCc1ccns1 ZINC000939640905 699770361 /nfs/dbraw/zinc/77/03/61/699770361.db2.gz BAVIYVZDQIDQOG-CZUORRHYSA-N 2 2 347.488 1.488 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)s1 ZINC000939753551 699903160 /nfs/dbraw/zinc/90/31/60/699903160.db2.gz GUEOPIOFRNQWCP-DGCLKSJQSA-N 2 2 348.476 1.242 20 0 EDADLP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243410 700404650 /nfs/dbraw/zinc/40/46/50/700404650.db2.gz NLWLXYJNZHSXIX-UHFFFAOYSA-N 2 2 342.447 1.543 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940340288 700522677 /nfs/dbraw/zinc/52/26/77/700522677.db2.gz WKUXCFBTJOCJPK-BZUAXINKSA-N 2 2 346.475 1.531 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)O1 ZINC000940425981 700619287 /nfs/dbraw/zinc/61/92/87/700619287.db2.gz ARNBPPUSKAIWNG-GDBMZVCRSA-N 2 2 334.464 1.501 20 0 EDADLP CC(C)(C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1)c1c[nH+]c[nH]1 ZINC000940426133 700619636 /nfs/dbraw/zinc/61/96/36/700619636.db2.gz GRRVUGBYTBZQJG-UHFFFAOYSA-N 2 2 348.476 1.710 20 0 EDADLP COc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)on1 ZINC000940441272 700642288 /nfs/dbraw/zinc/64/22/88/700642288.db2.gz AYOPTMVUNSBETC-UHFFFAOYSA-N 2 2 347.419 1.428 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940441726 700643389 /nfs/dbraw/zinc/64/33/89/700643389.db2.gz QPYZCKFBLZLLIO-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP CC1([NH2+]Cc2noc(C3CC3)n2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940461453 700664600 /nfs/dbraw/zinc/66/46/00/700664600.db2.gz BSSRPOCQHVWGEX-UHFFFAOYSA-N 2 2 347.463 1.514 20 0 EDADLP COc1ccc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC000940482778 700670701 /nfs/dbraw/zinc/67/07/01/700670701.db2.gz QIMSSLQRNWXUMJ-UHFFFAOYSA-N 2 2 343.431 1.458 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625087 700786674 /nfs/dbraw/zinc/78/66/74/700786674.db2.gz OMFKLBPPNFMRCC-JKSUJKDBSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625087 700786675 /nfs/dbraw/zinc/78/66/75/700786675.db2.gz OMFKLBPPNFMRCC-JKSUJKDBSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625087 700786677 /nfs/dbraw/zinc/78/66/77/700786677.db2.gz OMFKLBPPNFMRCC-JKSUJKDBSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625087 700786678 /nfs/dbraw/zinc/78/66/78/700786678.db2.gz OMFKLBPPNFMRCC-JKSUJKDBSA-N 2 2 348.495 1.109 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940625885 700787927 /nfs/dbraw/zinc/78/79/27/700787927.db2.gz WJMRZMIQJUATAY-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940625885 700787929 /nfs/dbraw/zinc/78/79/29/700787929.db2.gz WJMRZMIQJUATAY-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940625885 700787931 /nfs/dbraw/zinc/78/79/31/700787931.db2.gz WJMRZMIQJUATAY-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940625885 700787934 /nfs/dbraw/zinc/78/79/34/700787934.db2.gz WJMRZMIQJUATAY-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C(C)(C)C1 ZINC000940918342 700995879 /nfs/dbraw/zinc/99/58/79/700995879.db2.gz OOOJOFYQJUSDTO-DLBZAZTESA-N 2 2 337.508 1.724 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C(C)(C)C1 ZINC000940918342 700995880 /nfs/dbraw/zinc/99/58/80/700995880.db2.gz OOOJOFYQJUSDTO-DLBZAZTESA-N 2 2 337.508 1.724 20 0 EDADLP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C(C)(C)C1 ZINC000940918342 700995881 /nfs/dbraw/zinc/99/58/81/700995881.db2.gz OOOJOFYQJUSDTO-DLBZAZTESA-N 2 2 337.508 1.724 20 0 EDADLP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C(C)(C)C1 ZINC000940918342 700995883 /nfs/dbraw/zinc/99/58/83/700995883.db2.gz OOOJOFYQJUSDTO-DLBZAZTESA-N 2 2 337.508 1.724 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C(C)(C)C2)n1 ZINC000941027559 701067747 /nfs/dbraw/zinc/06/77/47/701067747.db2.gz VYSSYEBMXXCNGN-UKRRQHHQSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C(C)(C)C2)n1 ZINC000941027559 701067751 /nfs/dbraw/zinc/06/77/51/701067751.db2.gz VYSSYEBMXXCNGN-UKRRQHHQSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C(C)(C)C2)n1 ZINC000941027559 701067755 /nfs/dbraw/zinc/06/77/55/701067755.db2.gz VYSSYEBMXXCNGN-UKRRQHHQSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C(C)(C)C2)n1 ZINC000941027559 701067758 /nfs/dbraw/zinc/06/77/58/701067758.db2.gz VYSSYEBMXXCNGN-UKRRQHHQSA-N 2 2 349.479 1.437 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccsc3)C2)C1 ZINC001031922708 701089708 /nfs/dbraw/zinc/08/97/08/701089708.db2.gz IRONKVTVPRJYFM-MRXNPFEDSA-N 2 2 337.489 1.405 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccsc3)C2)C1 ZINC001031922708 701089711 /nfs/dbraw/zinc/08/97/11/701089711.db2.gz IRONKVTVPRJYFM-MRXNPFEDSA-N 2 2 337.489 1.405 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061682 701108817 /nfs/dbraw/zinc/10/88/17/701108817.db2.gz PAIPZFBHZYSTOT-INIZCTEOSA-N 2 2 344.463 1.411 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061682 701108819 /nfs/dbraw/zinc/10/88/19/701108819.db2.gz PAIPZFBHZYSTOT-INIZCTEOSA-N 2 2 344.463 1.411 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001031926123 701133741 /nfs/dbraw/zinc/13/37/41/701133741.db2.gz TYKRUYVZAOVZKH-UXLLHSPISA-N 2 2 345.491 1.624 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001031926123 701133744 /nfs/dbraw/zinc/13/37/44/701133744.db2.gz TYKRUYVZAOVZKH-UXLLHSPISA-N 2 2 345.491 1.624 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001031926176 701134681 /nfs/dbraw/zinc/13/46/81/701134681.db2.gz WJELFCAXSBDJNZ-HOCLYGCPSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001031926176 701134683 /nfs/dbraw/zinc/13/46/83/701134683.db2.gz WJELFCAXSBDJNZ-HOCLYGCPSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1cncc(C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)c1 ZINC001031930825 701376072 /nfs/dbraw/zinc/37/60/72/701376072.db2.gz CCXNEMXWCFSEJX-UHFFFAOYSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)no1 ZINC000941166264 701377220 /nfs/dbraw/zinc/37/72/20/701377220.db2.gz DYALKYVJNFKZHF-INIZCTEOSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)no1 ZINC000941166264 701377221 /nfs/dbraw/zinc/37/72/21/701377221.db2.gz DYALKYVJNFKZHF-INIZCTEOSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1C[NH+](Cc3ccccn3)C1)CC2 ZINC001031932815 701390064 /nfs/dbraw/zinc/39/00/64/701390064.db2.gz AUKSLQQTVDJQRY-MRXNPFEDSA-N 2 2 339.443 1.397 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCn2cccn2)CC1(C)C ZINC000941186761 701391284 /nfs/dbraw/zinc/39/12/84/701391284.db2.gz QMZQOGQJRAHMSV-MRXNPFEDSA-N 2 2 344.463 1.374 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)CC1(C)C ZINC000941186761 701391286 /nfs/dbraw/zinc/39/12/86/701391286.db2.gz QMZQOGQJRAHMSV-MRXNPFEDSA-N 2 2 344.463 1.374 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)sn1 ZINC000995148229 701536485 /nfs/dbraw/zinc/53/64/85/701536485.db2.gz BCYUVNQJDGZBMS-QWHCGFSZSA-N 2 2 333.461 1.792 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)o1 ZINC001032129076 701808408 /nfs/dbraw/zinc/80/84/08/701808408.db2.gz PZIXZSPMKBKKEY-CVEARBPZSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nccs2)C1 ZINC000995179492 701906854 /nfs/dbraw/zinc/90/68/54/701906854.db2.gz BJXJZZHYMWSXPJ-STQMWFEESA-N 2 2 333.461 1.792 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995180254 701946688 /nfs/dbraw/zinc/94/66/88/701946688.db2.gz DRNHRLCHQLQVHU-HOCLYGCPSA-N 2 2 344.463 1.377 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001031977983 701977246 /nfs/dbraw/zinc/97/72/46/701977246.db2.gz LJFXVIWLWGYQCF-DOMZBBRYSA-N 2 2 336.867 1.481 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccncc2Cl)C1 ZINC001031977983 701977250 /nfs/dbraw/zinc/97/72/50/701977250.db2.gz LJFXVIWLWGYQCF-DOMZBBRYSA-N 2 2 336.867 1.481 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944442220 702022481 /nfs/dbraw/zinc/02/24/81/702022481.db2.gz CSPVVPBNHXTWNQ-NHYWBVRUSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944442220 702022485 /nfs/dbraw/zinc/02/24/85/702022485.db2.gz CSPVVPBNHXTWNQ-NHYWBVRUSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCc2ccns2)C[C@@H]1C ZINC000944446818 702037658 /nfs/dbraw/zinc/03/76/58/702037658.db2.gz WRKYAMONYKDQRI-SWLSCSKDSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCc2ccns2)C[C@@H]1C ZINC000944446818 702037663 /nfs/dbraw/zinc/03/76/63/702037663.db2.gz WRKYAMONYKDQRI-SWLSCSKDSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccc2C)C[C@@H]1C ZINC000944447477 702040415 /nfs/dbraw/zinc/04/04/15/702040415.db2.gz ZYGNTWOKRSHXID-GOEBONIOSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccc2C)C[C@@H]1C ZINC000944447477 702040418 /nfs/dbraw/zinc/04/04/18/702040418.db2.gz ZYGNTWOKRSHXID-GOEBONIOSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)c3ccccc3C[NH+](C)C)C2)o1 ZINC001032205181 702048468 /nfs/dbraw/zinc/04/84/68/702048468.db2.gz QKLMDNLEYZGLOD-UHFFFAOYSA-N 2 2 342.443 1.906 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918441 702237981 /nfs/dbraw/zinc/23/79/81/702237981.db2.gz NSXCQMQPOFEHAL-CQSZACIVSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918441 702237982 /nfs/dbraw/zinc/23/79/82/702237982.db2.gz NSXCQMQPOFEHAL-CQSZACIVSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)[nH]1 ZINC000995920825 702242605 /nfs/dbraw/zinc/24/26/05/702242605.db2.gz VRILLHZMBKYPIC-WFASDCNBSA-N 2 2 348.495 1.485 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)[nH]1 ZINC000995920825 702242609 /nfs/dbraw/zinc/24/26/09/702242609.db2.gz VRILLHZMBKYPIC-WFASDCNBSA-N 2 2 348.495 1.485 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097105 702261080 /nfs/dbraw/zinc/26/10/80/702261080.db2.gz DGCLLEWJVQOJCK-SUMWQHHRSA-N 2 2 345.447 1.540 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097105 702261082 /nfs/dbraw/zinc/26/10/82/702261082.db2.gz DGCLLEWJVQOJCK-SUMWQHHRSA-N 2 2 345.447 1.540 20 0 EDADLP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944099161 702268651 /nfs/dbraw/zinc/26/86/51/702268651.db2.gz OZNSBTOYXKSPOI-CRAIPNDOSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944099161 702268655 /nfs/dbraw/zinc/26/86/55/702268655.db2.gz OZNSBTOYXKSPOI-CRAIPNDOSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)o1 ZINC000944099728 702270576 /nfs/dbraw/zinc/27/05/76/702270576.db2.gz SABWUDPNVMXIHA-WBMJQRKESA-N 2 2 331.420 1.286 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)o1 ZINC000944099728 702270581 /nfs/dbraw/zinc/27/05/81/702270581.db2.gz SABWUDPNVMXIHA-WBMJQRKESA-N 2 2 331.420 1.286 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996043619 702461144 /nfs/dbraw/zinc/46/11/44/702461144.db2.gz OMFMQBDARCHGRK-CYBMUJFWSA-N 2 2 334.449 1.070 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996072384 702484471 /nfs/dbraw/zinc/48/44/71/702484471.db2.gz GVDBAEQDAKOSHE-OAHLLOKOSA-N 2 2 344.463 1.113 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996220847 702632124 /nfs/dbraw/zinc/63/21/24/702632124.db2.gz GKUHXHWVYZTZBS-DOMZBBRYSA-N 2 2 349.479 1.607 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996299725 702690467 /nfs/dbraw/zinc/69/04/67/702690467.db2.gz DEKSLELQBCMSET-JSGCOSHPSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996299725 702690470 /nfs/dbraw/zinc/69/04/70/702690470.db2.gz DEKSLELQBCMSET-JSGCOSHPSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996299727 702690677 /nfs/dbraw/zinc/69/06/77/702690677.db2.gz DEKSLELQBCMSET-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996299727 702690678 /nfs/dbraw/zinc/69/06/78/702690678.db2.gz DEKSLELQBCMSET-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996301490 702693438 /nfs/dbraw/zinc/69/34/38/702693438.db2.gz UFPLUXLZBICNST-OCCSQVGLSA-N 2 2 335.452 1.189 20 0 EDADLP C[C@@H](CC(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1)n1cc[nH+]c1 ZINC000996363652 702724238 /nfs/dbraw/zinc/72/42/38/702724238.db2.gz KTQAIDXPYVUCQZ-HOTGVXAUSA-N 2 2 344.463 1.558 20 0 EDADLP C[C@H](O)C[NH2+][C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1(C)C ZINC000996482472 702813435 /nfs/dbraw/zinc/81/34/35/702813435.db2.gz CPXJTZBUGMZDEV-BBRMVZONSA-N 2 2 343.431 1.088 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)C(C)(C)C1 ZINC000996515940 702851575 /nfs/dbraw/zinc/85/15/75/702851575.db2.gz WPCFGJWUJJRRIN-GOEBONIOSA-N 2 2 334.464 1.216 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)cs1 ZINC000996516930 702852329 /nfs/dbraw/zinc/85/23/29/702852329.db2.gz CMCYRNGQIBMYTL-OAHLLOKOSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2cncc(C)c2)C(C)(C)C1 ZINC000996565464 702886810 /nfs/dbraw/zinc/88/68/10/702886810.db2.gz YQWSXRAOJYLXET-QGZVFWFLSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ncccn2)C(C)(C)C1 ZINC000996608722 702912074 /nfs/dbraw/zinc/91/20/74/702912074.db2.gz FBAHSTKJRHCWRK-DZGCQCFKSA-N 2 2 342.447 1.569 20 0 EDADLP CCc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996610310 702915480 /nfs/dbraw/zinc/91/54/80/702915480.db2.gz IFRDUDPFKKPVSI-KBPBESRZSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)[nH]1 ZINC000996613964 702918924 /nfs/dbraw/zinc/91/89/24/702918924.db2.gz XKHCFOYMZFSFOA-KGLIPLIRSA-N 2 2 348.495 1.351 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996610064 702921158 /nfs/dbraw/zinc/92/11/58/702921158.db2.gz JGLVMKDGUFXPNB-ZIAGYGMSSA-N 2 2 349.479 1.471 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996610064 702921160 /nfs/dbraw/zinc/92/11/60/702921160.db2.gz JGLVMKDGUFXPNB-ZIAGYGMSSA-N 2 2 349.479 1.471 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000995243357 702923630 /nfs/dbraw/zinc/92/36/30/702923630.db2.gz IEEWSYQNBNIPDI-QZTJIDSGSA-N 2 2 342.443 1.450 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000995247967 702952234 /nfs/dbraw/zinc/95/22/34/702952234.db2.gz JSQCWYBPIZBRHR-GJZGRUSLSA-N 2 2 328.420 1.056 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995250401 702964659 /nfs/dbraw/zinc/96/46/59/702964659.db2.gz OFCFIGCHMQAGRF-OCCSQVGLSA-N 2 2 326.391 1.803 20 0 EDADLP COc1ncccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995254472 702995185 /nfs/dbraw/zinc/99/51/85/702995185.db2.gz VAXSNYNHFDOGAZ-HOCLYGCPSA-N 2 2 343.431 1.361 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)n1 ZINC000942517665 703010929 /nfs/dbraw/zinc/01/09/29/703010929.db2.gz DMVGNAICEBCXFU-YOEHRIQHSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)n1 ZINC000942517665 703010931 /nfs/dbraw/zinc/01/09/31/703010931.db2.gz DMVGNAICEBCXFU-YOEHRIQHSA-N 2 2 344.463 1.435 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)o1 ZINC000942518456 703019062 /nfs/dbraw/zinc/01/90/62/703019062.db2.gz RXMMPXDIEMBQAJ-BBRMVZONSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)o1 ZINC000942518456 703019064 /nfs/dbraw/zinc/01/90/64/703019064.db2.gz RXMMPXDIEMBQAJ-BBRMVZONSA-N 2 2 345.447 1.769 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000996748931 703035430 /nfs/dbraw/zinc/03/54/30/703035430.db2.gz WQUDKIUYLTURAL-UHFFFAOYSA-N 2 2 347.419 1.427 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996754293 703043174 /nfs/dbraw/zinc/04/31/74/703043174.db2.gz CHJJUKBIGXVNNV-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556136 703070648 /nfs/dbraw/zinc/07/06/48/703070648.db2.gz VZJJFABXGKOCDG-HIFRSBDPSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556136 703070651 /nfs/dbraw/zinc/07/06/51/703070651.db2.gz VZJJFABXGKOCDG-HIFRSBDPSA-N 2 2 335.452 1.271 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccsc2)C1 ZINC001032332036 703114405 /nfs/dbraw/zinc/11/44/05/703114405.db2.gz PNXYWPNWPKZOHX-YESZJQIVSA-N 2 2 349.500 1.296 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccsc2)C1 ZINC001032332036 703114406 /nfs/dbraw/zinc/11/44/06/703114406.db2.gz PNXYWPNWPKZOHX-YESZJQIVSA-N 2 2 349.500 1.296 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCc2ccsc2)C1 ZINC001032332036 703114407 /nfs/dbraw/zinc/11/44/07/703114407.db2.gz PNXYWPNWPKZOHX-YESZJQIVSA-N 2 2 349.500 1.296 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCc2ccsc2)C1 ZINC001032332036 703114408 /nfs/dbraw/zinc/11/44/08/703114408.db2.gz PNXYWPNWPKZOHX-YESZJQIVSA-N 2 2 349.500 1.296 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)nn1C ZINC000996836644 703124231 /nfs/dbraw/zinc/12/42/31/703124231.db2.gz YQWGTNRXLVAGOU-UHFFFAOYSA-N 2 2 344.463 1.175 20 0 EDADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C(F)(F)F ZINC000996849462 703137733 /nfs/dbraw/zinc/13/77/33/703137733.db2.gz SCTDKRYLXGPOJC-VXGBXAGGSA-N 2 2 332.370 1.599 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032044107 703234671 /nfs/dbraw/zinc/23/46/71/703234671.db2.gz PXMILLVBIWCPAF-ZWKOTPCHSA-N 2 2 346.450 1.786 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032044107 703234672 /nfs/dbraw/zinc/23/46/72/703234672.db2.gz PXMILLVBIWCPAF-ZWKOTPCHSA-N 2 2 346.450 1.786 20 0 EDADLP Cc1ccnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996976035 703241101 /nfs/dbraw/zinc/24/11/01/703241101.db2.gz AMVJUOGVCWKLAO-WBVHZDCISA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000996976035 703241103 /nfs/dbraw/zinc/24/11/03/703241103.db2.gz AMVJUOGVCWKLAO-WBVHZDCISA-N 2 2 345.491 1.596 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996987846 703245457 /nfs/dbraw/zinc/24/54/57/703245457.db2.gz HIFLFHUKYMNRKN-LBPRGKRZSA-N 2 2 346.460 1.462 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997084863 703319984 /nfs/dbraw/zinc/31/99/84/703319984.db2.gz MBFNGEQBBWVNJF-LBPRGKRZSA-N 2 2 331.420 1.666 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997084863 703319986 /nfs/dbraw/zinc/31/99/86/703319986.db2.gz MBFNGEQBBWVNJF-LBPRGKRZSA-N 2 2 331.420 1.666 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032378550 703345664 /nfs/dbraw/zinc/34/56/64/703345664.db2.gz IYBQLZSRNBEHBN-HOTGVXAUSA-N 2 2 332.448 1.444 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032378550 703345666 /nfs/dbraw/zinc/34/56/66/703345666.db2.gz IYBQLZSRNBEHBN-HOTGVXAUSA-N 2 2 332.448 1.444 20 0 EDADLP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379510 703354305 /nfs/dbraw/zinc/35/43/05/703354305.db2.gz UFOQPJKKFQEFAP-KBPBESRZSA-N 2 2 345.472 1.635 20 0 EDADLP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379510 703354306 /nfs/dbraw/zinc/35/43/06/703354306.db2.gz UFOQPJKKFQEFAP-KBPBESRZSA-N 2 2 345.472 1.635 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2cc(CO)ccc2F)CC1 ZINC000997117124 703374402 /nfs/dbraw/zinc/37/44/02/703374402.db2.gz CNDXYYKCMHVZHM-UHFFFAOYSA-N 2 2 346.406 1.364 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997125006 703381813 /nfs/dbraw/zinc/38/18/13/703381813.db2.gz LAWWMHFSXNZTKK-UHFFFAOYSA-N 2 2 336.827 1.120 20 0 EDADLP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060801326 703410529 /nfs/dbraw/zinc/41/05/29/703410529.db2.gz YHMFIGDCYWWFQR-WKILWMFISA-N 2 2 349.479 1.016 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032408029 703434002 /nfs/dbraw/zinc/43/40/02/703434002.db2.gz SFQDUAREEBPKGC-BQFCYCMXSA-N 2 2 344.459 1.418 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032408029 703434003 /nfs/dbraw/zinc/43/40/03/703434003.db2.gz SFQDUAREEBPKGC-BQFCYCMXSA-N 2 2 344.459 1.418 20 0 EDADLP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC000997182224 703467298 /nfs/dbraw/zinc/46/72/98/703467298.db2.gz HAEFMJZTTRPXBS-GFCCVEGCSA-N 2 2 346.435 1.250 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCO)CC1)C2 ZINC000997182890 703468231 /nfs/dbraw/zinc/46/82/31/703468231.db2.gz JEHXGXSDBJCJJR-IUODEOHRSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)C1CC[NH+](CCO)CC1)CC2 ZINC000997182890 703468233 /nfs/dbraw/zinc/46/82/33/703468233.db2.gz JEHXGXSDBJCJJR-IUODEOHRSA-N 2 2 334.464 1.032 20 0 EDADLP CC(C)c1cnc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC000997182971 703468263 /nfs/dbraw/zinc/46/82/63/703468263.db2.gz LTZHOAGAKTVNJD-UHFFFAOYSA-N 2 2 345.447 1.855 20 0 EDADLP Cc1noc(C[NH2+]C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)n1 ZINC000997186504 703476104 /nfs/dbraw/zinc/47/61/04/703476104.db2.gz NSMUXOCVGWZQDK-UHFFFAOYSA-N 2 2 344.419 1.233 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)o1 ZINC000997235730 703522830 /nfs/dbraw/zinc/52/28/30/703522830.db2.gz CEKQQVPUDJYRDF-AWEZNQCLSA-N 2 2 345.447 1.991 20 0 EDADLP CCn1ccc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)n1 ZINC000997238740 703525431 /nfs/dbraw/zinc/52/54/31/703525431.db2.gz WGPBQHGRZNZTBI-UHFFFAOYSA-N 2 2 344.463 1.350 20 0 EDADLP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC001032437682 703606323 /nfs/dbraw/zinc/60/63/23/703606323.db2.gz MPIDTVJVGOUBOD-OKZBNKHCSA-N 2 2 346.475 1.833 20 0 EDADLP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC001032437682 703606325 /nfs/dbraw/zinc/60/63/25/703606325.db2.gz MPIDTVJVGOUBOD-OKZBNKHCSA-N 2 2 346.475 1.833 20 0 EDADLP Cc1ncoc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001032442710 703618867 /nfs/dbraw/zinc/61/88/67/703618867.db2.gz CJANRLLGFSKSRO-ULQDDVLXSA-N 2 2 346.475 1.746 20 0 EDADLP Cc1ncoc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032442710 703618869 /nfs/dbraw/zinc/61/88/69/703618869.db2.gz CJANRLLGFSKSRO-ULQDDVLXSA-N 2 2 346.475 1.746 20 0 EDADLP Cc1ncoc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032442710 703618871 /nfs/dbraw/zinc/61/88/71/703618871.db2.gz CJANRLLGFSKSRO-ULQDDVLXSA-N 2 2 346.475 1.746 20 0 EDADLP Cc1ncoc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032442710 703618873 /nfs/dbraw/zinc/61/88/73/703618873.db2.gz CJANRLLGFSKSRO-ULQDDVLXSA-N 2 2 346.475 1.746 20 0 EDADLP Cc1noc(CCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)n1 ZINC001032443146 703619376 /nfs/dbraw/zinc/61/93/76/703619376.db2.gz NPYVNYZACXVJAT-GJZGRUSLSA-N 2 2 347.463 1.080 20 0 EDADLP Cc1noc(CCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)n1 ZINC001032443146 703619378 /nfs/dbraw/zinc/61/93/78/703619378.db2.gz NPYVNYZACXVJAT-GJZGRUSLSA-N 2 2 347.463 1.080 20 0 EDADLP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000921585139 703627857 /nfs/dbraw/zinc/62/78/57/703627857.db2.gz BKJCGKZOOYLMGK-ZBFHGGJFSA-N 2 2 336.432 1.173 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000997413909 703668637 /nfs/dbraw/zinc/66/86/37/703668637.db2.gz UYWVKKPVSRYYAX-QGZVFWFLSA-N 2 2 328.416 1.197 20 0 EDADLP COc1cccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1C ZINC000997416190 703668973 /nfs/dbraw/zinc/66/89/73/703668973.db2.gz IHNXQBNPJJPDJY-UHFFFAOYSA-N 2 2 342.443 1.981 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2nc(C3CCC3)no2)CC1 ZINC000997417167 703669131 /nfs/dbraw/zinc/66/91/31/703669131.db2.gz OOQWSCUDAVYGAD-UHFFFAOYSA-N 2 2 344.419 1.314 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000997417220 703669152 /nfs/dbraw/zinc/66/91/52/703669152.db2.gz QKZJPOGRRMRFMX-KRWDZBQOSA-N 2 2 346.406 1.336 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000997417208 703669175 /nfs/dbraw/zinc/66/91/75/703669175.db2.gz QCGGYUUXVGCOMP-CYBMUJFWSA-N 2 2 346.435 1.731 20 0 EDADLP CCn1cc(C[NH+]2CCC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)nn1 ZINC001004206595 703964291 /nfs/dbraw/zinc/96/42/91/703964291.db2.gz NNRFTRWHRWPVNQ-HUUCEWRRSA-N 2 2 348.495 1.251 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3CC)CC2)n1 ZINC001004206557 703964484 /nfs/dbraw/zinc/96/44/84/703964484.db2.gz DMFYSBYBIUOAJC-GOSISDBHSA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3CC)CC2)n1 ZINC001004206557 703964485 /nfs/dbraw/zinc/96/44/85/703964485.db2.gz DMFYSBYBIUOAJC-GOSISDBHSA-N 2 2 347.507 1.858 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC001004256398 704083572 /nfs/dbraw/zinc/08/35/72/704083572.db2.gz GCGVKQZBYSJJOR-GOSISDBHSA-N 2 2 342.443 1.067 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001033070856 704105584 /nfs/dbraw/zinc/10/55/84/704105584.db2.gz TWYNRWQOHFQVEP-ROUUACIJSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001033070856 704105585 /nfs/dbraw/zinc/10/55/85/704105585.db2.gz TWYNRWQOHFQVEP-ROUUACIJSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001033070856 704105589 /nfs/dbraw/zinc/10/55/89/704105589.db2.gz TWYNRWQOHFQVEP-ROUUACIJSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001033070856 704105591 /nfs/dbraw/zinc/10/55/91/704105591.db2.gz TWYNRWQOHFQVEP-ROUUACIJSA-N 2 2 345.491 1.691 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033081066 704135872 /nfs/dbraw/zinc/13/58/72/704135872.db2.gz LSXDWCBBKWANFN-GDBMZVCRSA-N 2 2 348.447 1.058 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033081066 704135875 /nfs/dbraw/zinc/13/58/75/704135875.db2.gz LSXDWCBBKWANFN-GDBMZVCRSA-N 2 2 348.447 1.058 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033093883 704171297 /nfs/dbraw/zinc/17/12/97/704171297.db2.gz FGYKNIMFZQBYQX-RBSFLKMASA-N 2 2 336.505 1.824 20 0 EDADLP Cc1csc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033093883 704171301 /nfs/dbraw/zinc/17/13/01/704171301.db2.gz FGYKNIMFZQBYQX-RBSFLKMASA-N 2 2 336.505 1.824 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033093883 704171302 /nfs/dbraw/zinc/17/13/02/704171302.db2.gz FGYKNIMFZQBYQX-RBSFLKMASA-N 2 2 336.505 1.824 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033093883 704171304 /nfs/dbraw/zinc/17/13/04/704171304.db2.gz FGYKNIMFZQBYQX-RBSFLKMASA-N 2 2 336.505 1.824 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999309022 706810126 /nfs/dbraw/zinc/81/01/26/706810126.db2.gz UDIJRNSYTAPTFI-HIFRSBDPSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999309022 706810127 /nfs/dbraw/zinc/81/01/27/706810127.db2.gz UDIJRNSYTAPTFI-HIFRSBDPSA-N 2 2 337.493 1.493 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCOC1 ZINC001032534936 704567647 /nfs/dbraw/zinc/56/76/47/704567647.db2.gz LVHMEDKDTOXKRY-PMPSAXMXSA-N 2 2 332.448 1.064 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1 ZINC001032534936 704567648 /nfs/dbraw/zinc/56/76/48/704567648.db2.gz LVHMEDKDTOXKRY-PMPSAXMXSA-N 2 2 332.448 1.064 20 0 EDADLP C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC[NH+](CCO)CC1 ZINC000997820487 704739004 /nfs/dbraw/zinc/73/90/04/704739004.db2.gz NRAFUXKOOWVEIP-AWEZNQCLSA-N 2 2 343.431 1.090 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997860052 704768905 /nfs/dbraw/zinc/76/89/05/704768905.db2.gz DAJKGXBIURZLOO-WFASDCNBSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997860052 704768906 /nfs/dbraw/zinc/76/89/06/704768906.db2.gz DAJKGXBIURZLOO-WFASDCNBSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000998298433 705701711 /nfs/dbraw/zinc/70/17/11/705701711.db2.gz XXIYRAQHOGHDJJ-LBPRGKRZSA-N 2 2 332.408 1.164 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001032630109 705759496 /nfs/dbraw/zinc/75/94/96/705759496.db2.gz XPQJJCDUHAYGLY-GJZGRUSLSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001032630109 705759500 /nfs/dbraw/zinc/75/95/00/705759500.db2.gz XPQJJCDUHAYGLY-GJZGRUSLSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001032630109 705759505 /nfs/dbraw/zinc/75/95/05/705759505.db2.gz XPQJJCDUHAYGLY-GJZGRUSLSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001032630109 705759507 /nfs/dbraw/zinc/75/95/07/705759507.db2.gz XPQJJCDUHAYGLY-GJZGRUSLSA-N 2 2 348.516 1.969 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1F)[NH+](C)C ZINC001032634262 705881087 /nfs/dbraw/zinc/88/10/87/705881087.db2.gz HXUVNKBJLFQNBN-BQFCYCMXSA-N 2 2 333.451 1.994 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1F)[NH+](C)C ZINC001032634262 705881089 /nfs/dbraw/zinc/88/10/89/705881089.db2.gz HXUVNKBJLFQNBN-BQFCYCMXSA-N 2 2 333.451 1.994 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000998717999 706149817 /nfs/dbraw/zinc/14/98/17/706149817.db2.gz AETHSNYZRCHQDL-KGLIPLIRSA-N 2 2 335.452 1.368 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000998717999 706149821 /nfs/dbraw/zinc/14/98/21/706149821.db2.gz AETHSNYZRCHQDL-KGLIPLIRSA-N 2 2 335.452 1.368 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC000998730176 706162505 /nfs/dbraw/zinc/16/25/05/706162505.db2.gz JEUIARZIPFZYDK-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999007076 706426225 /nfs/dbraw/zinc/42/62/25/706426225.db2.gz IDPHQVZEARXMBC-WLYUNCDWSA-N 2 2 343.431 1.521 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]Cc2ncccn2)C1 ZINC000999007448 706427212 /nfs/dbraw/zinc/42/72/12/706427212.db2.gz NTVIEQMJNVZMJH-VQCLRJIVSA-N 2 2 340.431 1.015 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999007755 706427342 /nfs/dbraw/zinc/42/73/42/706427342.db2.gz QVAUQGZKKCNREC-KLAILNCOSA-N 2 2 346.475 1.451 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999013126 706432476 /nfs/dbraw/zinc/43/24/76/706432476.db2.gz UTSPLAYHHHWPKQ-OOHWJJMZSA-N 2 2 339.443 1.620 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999049224 706469377 /nfs/dbraw/zinc/46/93/77/706469377.db2.gz YWFSPKPDMCPITG-ZDUSSCGKSA-N 2 2 333.461 1.888 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)no1 ZINC000999050038 706470766 /nfs/dbraw/zinc/47/07/66/706470766.db2.gz IJFBACMIWNYTPO-UHFFFAOYSA-N 2 2 347.463 1.339 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC000999046552 706487840 /nfs/dbraw/zinc/48/78/40/706487840.db2.gz TVLNURQUMVAARQ-HNNXBMFYSA-N 2 2 328.420 1.222 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]Cc3cncn3C)C2)c[nH+]1 ZINC000999467268 706975804 /nfs/dbraw/zinc/97/58/04/706975804.db2.gz RISUNRAJZORSIA-OAHLLOKOSA-N 2 2 344.463 1.441 20 0 EDADLP Cn1cnnc1C[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000999505625 707003174 /nfs/dbraw/zinc/00/31/74/707003174.db2.gz WXKFJARKVQUXRY-CYBMUJFWSA-N 2 2 339.403 1.086 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999538584 707039139 /nfs/dbraw/zinc/03/91/39/707039139.db2.gz YMUOVXDGUWECDS-GOEBONIOSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999545013 707045151 /nfs/dbraw/zinc/04/51/51/707045151.db2.gz JWIMNUCWCDBULV-ZBFHGGJFSA-N 2 2 343.431 1.523 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999597013 707099959 /nfs/dbraw/zinc/09/99/59/707099959.db2.gz NYZWJTNQIUAWMK-CQSZACIVSA-N 2 2 347.463 1.341 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)no1 ZINC000999597648 707100278 /nfs/dbraw/zinc/10/02/78/707100278.db2.gz GQCSPKWCJHQVCG-UHFFFAOYSA-N 2 2 349.479 1.443 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946703780 707169794 /nfs/dbraw/zinc/16/97/94/707169794.db2.gz IDFQYSRPRNUCEV-KURKYZTESA-N 2 2 346.475 1.480 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946703780 707169799 /nfs/dbraw/zinc/16/97/99/707169799.db2.gz IDFQYSRPRNUCEV-KURKYZTESA-N 2 2 346.475 1.480 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999697025 707222115 /nfs/dbraw/zinc/22/21/15/707222115.db2.gz IJTIIYODVGQDDY-UHFFFAOYSA-N 2 2 330.436 1.200 20 0 EDADLP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)co1 ZINC000999697096 707222163 /nfs/dbraw/zinc/22/21/63/707222163.db2.gz JKFYKRHKWPMXGM-UHFFFAOYSA-N 2 2 331.420 1.763 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001033267709 707305864 /nfs/dbraw/zinc/30/58/64/707305864.db2.gz VOZGYFAXOLAJLG-HNNXBMFYSA-N 2 2 345.447 1.783 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001033267709 707305875 /nfs/dbraw/zinc/30/58/75/707305875.db2.gz VOZGYFAXOLAJLG-HNNXBMFYSA-N 2 2 345.447 1.783 20 0 EDADLP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004829468 707368424 /nfs/dbraw/zinc/36/84/24/707368424.db2.gz DCIAXVNKPDFPHY-ZBFHGGJFSA-N 2 2 344.463 1.635 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000999843625 707417721 /nfs/dbraw/zinc/41/77/21/707417721.db2.gz VDWBUOYERPJLQJ-QGZVFWFLSA-N 2 2 344.463 1.831 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)n1)[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004848485 707446879 /nfs/dbraw/zinc/44/68/79/707446879.db2.gz PJYWIHUGIMTIPV-ZFWWWQNUSA-N 2 2 345.451 1.030 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2CC1 ZINC000946800575 707452036 /nfs/dbraw/zinc/45/20/36/707452036.db2.gz FOCHQOVKLAWQEF-JZXOWHBKSA-N 2 2 346.475 1.692 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2CC1 ZINC000946800575 707452038 /nfs/dbraw/zinc/45/20/38/707452038.db2.gz FOCHQOVKLAWQEF-JZXOWHBKSA-N 2 2 346.475 1.692 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033198747 707463117 /nfs/dbraw/zinc/46/31/17/707463117.db2.gz NEPPRVGQRMJFCK-UONOGXRCSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001033198747 707463122 /nfs/dbraw/zinc/46/31/22/707463122.db2.gz NEPPRVGQRMJFCK-UONOGXRCSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001033198747 707463127 /nfs/dbraw/zinc/46/31/27/707463127.db2.gz NEPPRVGQRMJFCK-UONOGXRCSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001033198747 707463132 /nfs/dbraw/zinc/46/31/32/707463132.db2.gz NEPPRVGQRMJFCK-UONOGXRCSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999834667 707467385 /nfs/dbraw/zinc/46/73/85/707467385.db2.gz CSDXNRZJJNPLQT-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000999834941 707467898 /nfs/dbraw/zinc/46/78/98/707467898.db2.gz AMRXLIQEKNDMCO-UHFFFAOYSA-N 2 2 328.420 1.069 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815693 707565590 /nfs/dbraw/zinc/56/55/90/707565590.db2.gz KOJIRMFAIABUOO-VQHPVUNQSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815693 707565593 /nfs/dbraw/zinc/56/55/93/707565593.db2.gz KOJIRMFAIABUOO-VQHPVUNQSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815693 707565596 /nfs/dbraw/zinc/56/55/96/707565596.db2.gz KOJIRMFAIABUOO-VQHPVUNQSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815693 707565598 /nfs/dbraw/zinc/56/55/98/707565598.db2.gz KOJIRMFAIABUOO-VQHPVUNQSA-N 2 2 348.491 1.794 20 0 EDADLP CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)nn2)C1 ZINC000999998337 707680910 /nfs/dbraw/zinc/68/09/10/707680910.db2.gz RBJIAIBHTJTEOP-CQSZACIVSA-N 2 2 339.403 1.351 20 0 EDADLP CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)nn2)C1 ZINC000999998337 707680914 /nfs/dbraw/zinc/68/09/14/707680914.db2.gz RBJIAIBHTJTEOP-CQSZACIVSA-N 2 2 339.403 1.351 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)oc1C ZINC001033391735 707724768 /nfs/dbraw/zinc/72/47/68/707724768.db2.gz WFVGMKGUHKSXPR-MRXNPFEDSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)oc1C ZINC001033391735 707724771 /nfs/dbraw/zinc/72/47/71/707724771.db2.gz WFVGMKGUHKSXPR-MRXNPFEDSA-N 2 2 334.464 1.666 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCOC1)c1c[nH+]c[nH]1 ZINC001032732234 707736554 /nfs/dbraw/zinc/73/65/54/707736554.db2.gz WMDKMFWLEJRSGF-ILXRZTDVSA-N 2 2 332.448 1.399 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCOC1)c1c[nH+]c[nH]1 ZINC001032732234 707736557 /nfs/dbraw/zinc/73/65/57/707736557.db2.gz WMDKMFWLEJRSGF-ILXRZTDVSA-N 2 2 332.448 1.399 20 0 EDADLP C[C@H]([NH2+]Cc1cncs1)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004966708 707761681 /nfs/dbraw/zinc/76/16/81/707761681.db2.gz PRIJBPVWEQPRQQ-GXTWGEPZSA-N 2 2 333.461 1.968 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033219175 707772517 /nfs/dbraw/zinc/77/25/17/707772517.db2.gz XJQJMEOTDVUFDO-SJLPKXTDSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033219175 707772521 /nfs/dbraw/zinc/77/25/21/707772521.db2.gz XJQJMEOTDVUFDO-SJLPKXTDSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033219175 707772525 /nfs/dbraw/zinc/77/25/25/707772525.db2.gz XJQJMEOTDVUFDO-SJLPKXTDSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033219175 707772531 /nfs/dbraw/zinc/77/25/31/707772531.db2.gz XJQJMEOTDVUFDO-SJLPKXTDSA-N 2 2 347.507 1.573 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004963932 707790901 /nfs/dbraw/zinc/79/09/01/707790901.db2.gz GTKLFXDSVCGGDV-GDBMZVCRSA-N 2 2 344.463 1.554 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033416848 707797910 /nfs/dbraw/zinc/79/79/10/707797910.db2.gz SAYCWQOKHGRTAE-PBHICJAKSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033416848 707797912 /nfs/dbraw/zinc/79/79/12/707797912.db2.gz SAYCWQOKHGRTAE-PBHICJAKSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033416848 707797914 /nfs/dbraw/zinc/79/79/14/707797914.db2.gz SAYCWQOKHGRTAE-PBHICJAKSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033416848 707797918 /nfs/dbraw/zinc/79/79/18/707797918.db2.gz SAYCWQOKHGRTAE-PBHICJAKSA-N 2 2 334.439 1.738 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)ncn1 ZINC001033418268 707802546 /nfs/dbraw/zinc/80/25/46/707802546.db2.gz BMIKBRUJNAVZLK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)ncn1 ZINC001033418268 707802549 /nfs/dbraw/zinc/80/25/49/707802549.db2.gz BMIKBRUJNAVZLK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)ncn1 ZINC001033418268 707802550 /nfs/dbraw/zinc/80/25/50/707802550.db2.gz BMIKBRUJNAVZLK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)ncn1 ZINC001033418268 707802554 /nfs/dbraw/zinc/80/25/54/707802554.db2.gz BMIKBRUJNAVZLK-RDJZCZTQSA-N 2 2 331.464 1.302 20 0 EDADLP C[C@H]([NH2+]Cc1ccns1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004981867 707860325 /nfs/dbraw/zinc/86/03/25/707860325.db2.gz NKWGRZWKOKRDKY-XJKSGUPXSA-N 2 2 347.488 1.979 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)ncn1 ZINC001033228889 707879407 /nfs/dbraw/zinc/87/94/07/707879407.db2.gz PPSUTPNQUMFKCB-QGZVFWFLSA-N 2 2 343.475 1.446 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)ncn1 ZINC001033228889 707879409 /nfs/dbraw/zinc/87/94/09/707879409.db2.gz PPSUTPNQUMFKCB-QGZVFWFLSA-N 2 2 343.475 1.446 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005011593 707929964 /nfs/dbraw/zinc/92/99/64/707929964.db2.gz SXJOTUFJDAWJFS-GOEBONIOSA-N 2 2 330.436 1.176 20 0 EDADLP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033471005 707932485 /nfs/dbraw/zinc/93/24/85/707932485.db2.gz FPHLWPLMGQMRAD-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033471005 707932488 /nfs/dbraw/zinc/93/24/88/707932488.db2.gz FPHLWPLMGQMRAD-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1C ZINC001032782550 707975180 /nfs/dbraw/zinc/97/51/80/707975180.db2.gz GWEGBVMIAZRLOX-IRXDYDNUSA-N 2 2 325.416 1.380 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1C ZINC001032782550 707975183 /nfs/dbraw/zinc/97/51/83/707975183.db2.gz GWEGBVMIAZRLOX-IRXDYDNUSA-N 2 2 325.416 1.380 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033596539 708301743 /nfs/dbraw/zinc/30/17/43/708301743.db2.gz ZUWSUDHKVGOONM-ZBFHGGJFSA-N 2 2 334.464 1.310 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033596539 708301746 /nfs/dbraw/zinc/30/17/46/708301746.db2.gz ZUWSUDHKVGOONM-ZBFHGGJFSA-N 2 2 334.464 1.310 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001001826574 708329131 /nfs/dbraw/zinc/32/91/31/708329131.db2.gz WRVSDHDNSJIXAG-IUODEOHRSA-N 2 2 337.493 1.064 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001001826574 708329135 /nfs/dbraw/zinc/32/91/35/708329135.db2.gz WRVSDHDNSJIXAG-IUODEOHRSA-N 2 2 337.493 1.064 20 0 EDADLP COc1nscc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662452 708478274 /nfs/dbraw/zinc/47/82/74/708478274.db2.gz PZZMJORAQRYOFY-OCCSQVGLSA-N 2 2 338.477 1.136 20 0 EDADLP COc1nscc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662452 708478275 /nfs/dbraw/zinc/47/82/75/708478275.db2.gz PZZMJORAQRYOFY-OCCSQVGLSA-N 2 2 338.477 1.136 20 0 EDADLP COc1nscc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033662452 708478278 /nfs/dbraw/zinc/47/82/78/708478278.db2.gz PZZMJORAQRYOFY-OCCSQVGLSA-N 2 2 338.477 1.136 20 0 EDADLP COc1nscc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033662452 708478281 /nfs/dbraw/zinc/47/82/81/708478281.db2.gz PZZMJORAQRYOFY-OCCSQVGLSA-N 2 2 338.477 1.136 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ncccc3C)C2)C1 ZINC001033677806 708486673 /nfs/dbraw/zinc/48/66/73/708486673.db2.gz BYLABAKSZLQWQP-FUHWJXTLSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ncccc3C)C2)C1 ZINC001033677806 708486676 /nfs/dbraw/zinc/48/66/76/708486676.db2.gz BYLABAKSZLQWQP-FUHWJXTLSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ncccc3C)C2)C1 ZINC001033677806 708486679 /nfs/dbraw/zinc/48/66/79/708486679.db2.gz BYLABAKSZLQWQP-FUHWJXTLSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ncccc3C)C2)C1 ZINC001033677806 708486681 /nfs/dbraw/zinc/48/66/81/708486681.db2.gz BYLABAKSZLQWQP-FUHWJXTLSA-N 2 2 346.475 1.143 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)ccc1C ZINC001033704292 708533511 /nfs/dbraw/zinc/53/35/11/708533511.db2.gz SMZNINLOVKXYFW-QGZVFWFLSA-N 2 2 342.443 1.933 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)ccc1C ZINC001033704292 708533514 /nfs/dbraw/zinc/53/35/14/708533514.db2.gz SMZNINLOVKXYFW-QGZVFWFLSA-N 2 2 342.443 1.933 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC001002121645 708635977 /nfs/dbraw/zinc/63/59/77/708635977.db2.gz SXLOHHFPZTUQEH-MRXNPFEDSA-N 2 2 331.464 1.065 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC001002121645 708635979 /nfs/dbraw/zinc/63/59/79/708635979.db2.gz SXLOHHFPZTUQEH-MRXNPFEDSA-N 2 2 331.464 1.065 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001033788394 708698692 /nfs/dbraw/zinc/69/86/92/708698692.db2.gz GLWMFVATYUGPLD-MSOLQXFVSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001033788394 708698694 /nfs/dbraw/zinc/69/86/94/708698694.db2.gz GLWMFVATYUGPLD-MSOLQXFVSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001033788394 708698697 /nfs/dbraw/zinc/69/86/97/708698697.db2.gz GLWMFVATYUGPLD-MSOLQXFVSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001033788394 708698700 /nfs/dbraw/zinc/69/87/00/708698700.db2.gz GLWMFVATYUGPLD-MSOLQXFVSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033831813 708854644 /nfs/dbraw/zinc/85/46/44/708854644.db2.gz YWJKNWMVBXOHLP-ROUUACIJSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033831813 708854648 /nfs/dbraw/zinc/85/46/48/708854648.db2.gz YWJKNWMVBXOHLP-ROUUACIJSA-N 2 2 346.475 1.748 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001033836523 708864360 /nfs/dbraw/zinc/86/43/60/708864360.db2.gz CIQDLIGYXDQNEC-OKZBNKHCSA-N 2 2 347.507 1.573 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3ccn(C)n3)C2)CC[N@H+]1C ZINC001033836523 708864362 /nfs/dbraw/zinc/86/43/62/708864362.db2.gz CIQDLIGYXDQNEC-OKZBNKHCSA-N 2 2 347.507 1.573 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001033836523 708864366 /nfs/dbraw/zinc/86/43/66/708864366.db2.gz CIQDLIGYXDQNEC-OKZBNKHCSA-N 2 2 347.507 1.573 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001033836523 708864371 /nfs/dbraw/zinc/86/43/71/708864371.db2.gz CIQDLIGYXDQNEC-OKZBNKHCSA-N 2 2 347.507 1.573 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)C3CC[NH+](C[C@H](C)O)CC3)ccn12 ZINC001005397816 708910672 /nfs/dbraw/zinc/91/06/72/708910672.db2.gz SENSNCFBWPBWGG-AWEZNQCLSA-N 2 2 330.432 1.560 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001005412365 708928602 /nfs/dbraw/zinc/92/86/02/708928602.db2.gz JGBCZKWEGYSPDF-NVXWUHKLSA-N 2 2 345.491 1.548 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001005412365 708928606 /nfs/dbraw/zinc/92/86/06/708928606.db2.gz JGBCZKWEGYSPDF-NVXWUHKLSA-N 2 2 345.491 1.548 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)nn1C ZINC001002791436 709399199 /nfs/dbraw/zinc/39/91/99/709399199.db2.gz ISGFQBKRDLJTGY-GOSISDBHSA-N 2 2 347.507 1.682 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)nn1C ZINC001002791436 709399201 /nfs/dbraw/zinc/39/92/01/709399201.db2.gz ISGFQBKRDLJTGY-GOSISDBHSA-N 2 2 347.507 1.682 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001034131177 709400821 /nfs/dbraw/zinc/40/08/21/709400821.db2.gz MPUASPIXGZIFQS-IAGOWNOFSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034131177 709400823 /nfs/dbraw/zinc/40/08/23/709400823.db2.gz MPUASPIXGZIFQS-IAGOWNOFSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001034131177 709400825 /nfs/dbraw/zinc/40/08/25/709400825.db2.gz MPUASPIXGZIFQS-IAGOWNOFSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001034131177 709400828 /nfs/dbraw/zinc/40/08/28/709400828.db2.gz MPUASPIXGZIFQS-IAGOWNOFSA-N 2 2 331.464 1.350 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001002813995 709422742 /nfs/dbraw/zinc/42/27/42/709422742.db2.gz CUFSHUJYHAJDHK-CQSZACIVSA-N 2 2 330.432 1.872 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001032829732 709460204 /nfs/dbraw/zinc/46/02/04/709460204.db2.gz BSWVOCKUQCSCDR-IHRRRGAJSA-N 2 2 331.407 1.085 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001032829732 709460205 /nfs/dbraw/zinc/46/02/05/709460205.db2.gz BSWVOCKUQCSCDR-IHRRRGAJSA-N 2 2 331.407 1.085 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001032829732 709460206 /nfs/dbraw/zinc/46/02/06/709460206.db2.gz BSWVOCKUQCSCDR-IHRRRGAJSA-N 2 2 331.407 1.085 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001032829732 709460207 /nfs/dbraw/zinc/46/02/07/709460207.db2.gz BSWVOCKUQCSCDR-IHRRRGAJSA-N 2 2 331.407 1.085 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)no1 ZINC001034207423 709555253 /nfs/dbraw/zinc/55/52/53/709555253.db2.gz LHQOYBJTXBCMDO-WMZOPIPTSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)no1 ZINC001034207423 709555255 /nfs/dbraw/zinc/55/52/55/709555255.db2.gz LHQOYBJTXBCMDO-WMZOPIPTSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC001034214568 709567573 /nfs/dbraw/zinc/56/75/73/709567573.db2.gz OAPNBIQHVOKJIY-HLLBOEOZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC001034214568 709567576 /nfs/dbraw/zinc/56/75/76/709567576.db2.gz OAPNBIQHVOKJIY-HLLBOEOZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001034214568 709567579 /nfs/dbraw/zinc/56/75/79/709567579.db2.gz OAPNBIQHVOKJIY-HLLBOEOZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)no1 ZINC001034214568 709567581 /nfs/dbraw/zinc/56/75/81/709567581.db2.gz OAPNBIQHVOKJIY-HLLBOEOZSA-N 2 2 334.464 1.794 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccon3)C2)CC[N@@H+]1C ZINC001034216764 709572226 /nfs/dbraw/zinc/57/22/26/709572226.db2.gz KYVGNHUNCMEPBH-BHYGNILZSA-N 2 2 334.464 1.876 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccon3)C2)CC[N@H+]1C ZINC001034216764 709572230 /nfs/dbraw/zinc/57/22/30/709572230.db2.gz KYVGNHUNCMEPBH-BHYGNILZSA-N 2 2 334.464 1.876 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccon3)C2)CC[NH+]1C ZINC001034216764 709572233 /nfs/dbraw/zinc/57/22/33/709572233.db2.gz KYVGNHUNCMEPBH-BHYGNILZSA-N 2 2 334.464 1.876 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccon3)C2)CC[NH+]1C ZINC001034216764 709572238 /nfs/dbraw/zinc/57/22/38/709572238.db2.gz KYVGNHUNCMEPBH-BHYGNILZSA-N 2 2 334.464 1.876 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001034218053 709574281 /nfs/dbraw/zinc/57/42/81/709574281.db2.gz YLHPDUUKEIIZJR-HYVNUMGLSA-N 2 2 348.495 1.016 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001034218053 709574286 /nfs/dbraw/zinc/57/42/86/709574286.db2.gz YLHPDUUKEIIZJR-HYVNUMGLSA-N 2 2 348.495 1.016 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cn(C)nn3)C2)CC[NH+]1C ZINC001034218053 709574290 /nfs/dbraw/zinc/57/42/90/709574290.db2.gz YLHPDUUKEIIZJR-HYVNUMGLSA-N 2 2 348.495 1.016 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cn(C)nn3)C2)CC[NH+]1C ZINC001034218053 709574292 /nfs/dbraw/zinc/57/42/92/709574292.db2.gz YLHPDUUKEIIZJR-HYVNUMGLSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](C/C=C/Cl)C2)O1 ZINC001034275397 709685101 /nfs/dbraw/zinc/68/51/01/709685101.db2.gz ZTJITWIJWGDWLB-SQVJTMBNSA-N 2 2 329.872 1.429 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](C/C=C/Cl)C2)O1 ZINC001034275397 709685103 /nfs/dbraw/zinc/68/51/03/709685103.db2.gz ZTJITWIJWGDWLB-SQVJTMBNSA-N 2 2 329.872 1.429 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](C/C=C/Cl)C2)O1 ZINC001034275397 709685107 /nfs/dbraw/zinc/68/51/07/709685107.db2.gz ZTJITWIJWGDWLB-SQVJTMBNSA-N 2 2 329.872 1.429 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](C/C=C/Cl)C2)O1 ZINC001034275397 709685109 /nfs/dbraw/zinc/68/51/09/709685109.db2.gz ZTJITWIJWGDWLB-SQVJTMBNSA-N 2 2 329.872 1.429 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2ccccn2)C1 ZINC001034310717 709754246 /nfs/dbraw/zinc/75/42/46/709754246.db2.gz BYUQCZJHKMFMHJ-KRWDZBQOSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccccn2)C1 ZINC001034310717 709754247 /nfs/dbraw/zinc/75/42/47/709754247.db2.gz BYUQCZJHKMFMHJ-KRWDZBQOSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC001003011193 709782963 /nfs/dbraw/zinc/78/29/63/709782963.db2.gz NIEDPFHBPKAOPS-MRXNPFEDSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC001003011193 709782966 /nfs/dbraw/zinc/78/29/66/709782966.db2.gz NIEDPFHBPKAOPS-MRXNPFEDSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nc1 ZINC001034386324 709915268 /nfs/dbraw/zinc/91/52/68/709915268.db2.gz QUYCUGAORHFSKT-QGZVFWFLSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nc1 ZINC001034386324 709915270 /nfs/dbraw/zinc/91/52/70/709915270.db2.gz QUYCUGAORHFSKT-QGZVFWFLSA-N 2 2 345.491 1.598 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001034396714 709935826 /nfs/dbraw/zinc/93/58/26/709935826.db2.gz GLDUJZUQZLRPNY-HOTGVXAUSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001034396714 709935827 /nfs/dbraw/zinc/93/58/27/709935827.db2.gz GLDUJZUQZLRPNY-HOTGVXAUSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)C1 ZINC001034396714 709935828 /nfs/dbraw/zinc/93/58/28/709935828.db2.gz GLDUJZUQZLRPNY-HOTGVXAUSA-N 2 2 333.480 1.233 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)C34CCC[NH+](CCC3)C4)CC2)o1 ZINC001003130870 710030414 /nfs/dbraw/zinc/03/04/14/710030414.db2.gz QGPACPRCUIKJFU-UHFFFAOYSA-N 2 2 347.463 1.335 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034481823 710096819 /nfs/dbraw/zinc/09/68/19/710096819.db2.gz WUBNDAYJUMKUNI-JKSUJKDBSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034481823 710096824 /nfs/dbraw/zinc/09/68/24/710096824.db2.gz WUBNDAYJUMKUNI-JKSUJKDBSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034481823 710096829 /nfs/dbraw/zinc/09/68/29/710096829.db2.gz WUBNDAYJUMKUNI-JKSUJKDBSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034481823 710096834 /nfs/dbraw/zinc/09/68/34/710096834.db2.gz WUBNDAYJUMKUNI-JKSUJKDBSA-N 2 2 338.496 1.097 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001003185582 710101697 /nfs/dbraw/zinc/10/16/97/710101697.db2.gz UFBGILDRHNUVTI-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061756753 710155679 /nfs/dbraw/zinc/15/56/79/710155679.db2.gz AQXBIXXLIUYRCM-HOTGVXAUSA-N 2 2 331.464 1.602 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001061756753 710155681 /nfs/dbraw/zinc/15/56/81/710155681.db2.gz AQXBIXXLIUYRCM-HOTGVXAUSA-N 2 2 331.464 1.602 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001034527501 710180804 /nfs/dbraw/zinc/18/08/04/710180804.db2.gz FARVAWQXCGXKFN-INIZCTEOSA-N 2 2 345.491 1.396 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001034527501 710180806 /nfs/dbraw/zinc/18/08/06/710180806.db2.gz FARVAWQXCGXKFN-INIZCTEOSA-N 2 2 345.491 1.396 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001034530390 710186822 /nfs/dbraw/zinc/18/68/22/710186822.db2.gz XDZMXWHWEMDRKM-KRWDZBQOSA-N 2 2 345.422 1.897 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001034530390 710186824 /nfs/dbraw/zinc/18/68/24/710186824.db2.gz XDZMXWHWEMDRKM-KRWDZBQOSA-N 2 2 345.422 1.897 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001034546748 710220181 /nfs/dbraw/zinc/22/01/81/710220181.db2.gz JQUFYCCRLKBOKZ-SJORKVTESA-N 2 2 334.464 1.671 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001034546748 710220183 /nfs/dbraw/zinc/22/01/83/710220183.db2.gz JQUFYCCRLKBOKZ-SJORKVTESA-N 2 2 334.464 1.671 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001034546967 710220927 /nfs/dbraw/zinc/22/09/27/710220927.db2.gz LUWBECLZDXUUIS-ROUUACIJSA-N 2 2 348.491 1.795 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001034546967 710220930 /nfs/dbraw/zinc/22/09/30/710220930.db2.gz LUWBECLZDXUUIS-ROUUACIJSA-N 2 2 348.491 1.795 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)sn1 ZINC001003318940 710247656 /nfs/dbraw/zinc/24/76/56/710247656.db2.gz NZTVKUIUDRFJQT-UHFFFAOYSA-N 2 2 333.461 1.737 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034665699 710334839 /nfs/dbraw/zinc/33/48/39/710334839.db2.gz QQXAXTMGXQCEPK-WRQOLXDDSA-N 2 2 346.475 1.957 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034665699 710334842 /nfs/dbraw/zinc/33/48/42/710334842.db2.gz QQXAXTMGXQCEPK-WRQOLXDDSA-N 2 2 346.475 1.957 20 0 EDADLP Cn1nc2c(c1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)COCC2 ZINC000922182674 710360982 /nfs/dbraw/zinc/36/09/82/710360982.db2.gz LYXHIUARFATEQR-KXBFYZLASA-N 2 2 341.459 1.670 20 0 EDADLP Cn1nc2c(c1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)COCC2 ZINC000922182674 710360985 /nfs/dbraw/zinc/36/09/85/710360985.db2.gz LYXHIUARFATEQR-KXBFYZLASA-N 2 2 341.459 1.670 20 0 EDADLP C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003492796 710375236 /nfs/dbraw/zinc/37/52/36/710375236.db2.gz OPHACKQMMARBGS-KKUMJFAQSA-N 2 2 348.495 1.187 20 0 EDADLP C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003492796 710375238 /nfs/dbraw/zinc/37/52/38/710375238.db2.gz OPHACKQMMARBGS-KKUMJFAQSA-N 2 2 348.495 1.187 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001003544802 710412637 /nfs/dbraw/zinc/41/26/37/710412637.db2.gz VYLRBIPEWVDJOM-UHFFFAOYSA-N 2 2 331.464 1.207 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001003703414 710502427 /nfs/dbraw/zinc/50/24/27/710502427.db2.gz UHOWJUFCNRCIRL-QGZVFWFLSA-N 2 2 346.406 1.406 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C)nc(C2CC2)[nH+]1 ZINC001061328595 710604775 /nfs/dbraw/zinc/60/47/75/710604775.db2.gz USMTYPQHXXDCDN-HZPDHXFCSA-N 2 2 343.475 1.842 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)nc(C2CC2)[nH+]1 ZINC001061328595 710604781 /nfs/dbraw/zinc/60/47/81/710604781.db2.gz USMTYPQHXXDCDN-HZPDHXFCSA-N 2 2 343.475 1.842 20 0 EDADLP CC[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001005578785 710620919 /nfs/dbraw/zinc/62/09/19/710620919.db2.gz GKVSLCJNWLLYPL-HNNXBMFYSA-N 2 2 349.479 1.113 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001005592961 710640856 /nfs/dbraw/zinc/64/08/56/710640856.db2.gz OJPCXKSGIIXSNO-INIZCTEOSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001005592961 710640857 /nfs/dbraw/zinc/64/08/57/710640857.db2.gz OJPCXKSGIIXSNO-INIZCTEOSA-N 2 2 334.464 1.890 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005591987 710649923 /nfs/dbraw/zinc/64/99/23/710649923.db2.gz JYXVPUMQHAHFAG-MRXNPFEDSA-N 2 2 333.480 1.327 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005591987 710649926 /nfs/dbraw/zinc/64/99/26/710649926.db2.gz JYXVPUMQHAHFAG-MRXNPFEDSA-N 2 2 333.480 1.327 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001034745814 710965710 /nfs/dbraw/zinc/96/57/10/710965710.db2.gz MQXUPVZVDJWVJR-HDJSIYSDSA-N 2 2 328.420 1.268 20 0 EDADLP COC[C@H](C)[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001003956482 711066233 /nfs/dbraw/zinc/06/62/33/711066233.db2.gz XETIJANFBNESHA-AWEZNQCLSA-N 2 2 343.431 1.496 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034778280 711079673 /nfs/dbraw/zinc/07/96/73/711079673.db2.gz QLJIQUPGNADYPK-JYJNAYRXSA-N 2 2 334.464 1.406 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2)o1 ZINC001034810644 711171287 /nfs/dbraw/zinc/17/12/87/711171287.db2.gz GWGLNBMVHDIQCY-INIZCTEOSA-N 2 2 343.431 1.378 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)o1 ZINC001034810644 711171290 /nfs/dbraw/zinc/17/12/90/711171290.db2.gz GWGLNBMVHDIQCY-INIZCTEOSA-N 2 2 343.431 1.378 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cc2)[nH]1 ZINC001034810832 711172179 /nfs/dbraw/zinc/17/21/79/711172179.db2.gz LETDJSGOKKVJME-INIZCTEOSA-N 2 2 342.447 1.113 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)[nH]1 ZINC001034810832 711172182 /nfs/dbraw/zinc/17/21/82/711172182.db2.gz LETDJSGOKKVJME-INIZCTEOSA-N 2 2 342.447 1.113 20 0 EDADLP CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001034890542 711346412 /nfs/dbraw/zinc/34/64/12/711346412.db2.gz DPKGPTCOPGSTFP-MOPGFXCFSA-N 2 2 345.487 1.660 20 0 EDADLP CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001034890542 711346417 /nfs/dbraw/zinc/34/64/17/711346417.db2.gz DPKGPTCOPGSTFP-MOPGFXCFSA-N 2 2 345.487 1.660 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001034934238 711360026 /nfs/dbraw/zinc/36/00/26/711360026.db2.gz JIMCVUIQWJZPEG-HUUCEWRRSA-N 2 2 349.479 1.585 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)n1 ZINC001034934238 711360030 /nfs/dbraw/zinc/36/00/30/711360030.db2.gz JIMCVUIQWJZPEG-HUUCEWRRSA-N 2 2 349.479 1.585 20 0 EDADLP CCn1c(C)nnc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001034924596 711388762 /nfs/dbraw/zinc/38/87/62/711388762.db2.gz SNQLULOLMNXWNY-CQSZACIVSA-N 2 2 345.451 1.043 20 0 EDADLP Cc1conc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001034958134 711431005 /nfs/dbraw/zinc/43/10/05/711431005.db2.gz BALMRJZZFUCMHG-GDBMZVCRSA-N 2 2 343.431 1.838 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1ncccn1 ZINC001034959293 711433616 /nfs/dbraw/zinc/43/36/16/711433616.db2.gz WJWICKAFEIIPKR-HUUCEWRRSA-N 2 2 340.431 1.331 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(C)C)no1)[NH+](C)C ZINC001034971873 711451401 /nfs/dbraw/zinc/45/14/01/711451401.db2.gz XSHFVDGMKHAPFC-ZIAGYGMSSA-N 2 2 337.468 1.614 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033125458 711875980 /nfs/dbraw/zinc/87/59/80/711875980.db2.gz FNTYNYVQDGFDMK-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033125458 711875981 /nfs/dbraw/zinc/87/59/81/711875981.db2.gz FNTYNYVQDGFDMK-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033125458 711875983 /nfs/dbraw/zinc/87/59/83/711875983.db2.gz FNTYNYVQDGFDMK-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033125458 711875984 /nfs/dbraw/zinc/87/59/84/711875984.db2.gz FNTYNYVQDGFDMK-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([C@@H]2CCC[N@@H+]2C[C@@H]2CCOC2)CC1 ZINC001004578481 712009486 /nfs/dbraw/zinc/00/94/86/712009486.db2.gz JOAHQYFXOULTOQ-YJBOKZPZSA-N 2 2 346.475 1.692 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([C@@H]2CCC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001004578481 712009488 /nfs/dbraw/zinc/00/94/88/712009488.db2.gz JOAHQYFXOULTOQ-YJBOKZPZSA-N 2 2 346.475 1.692 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033148532 712082731 /nfs/dbraw/zinc/08/27/31/712082731.db2.gz CTFCPXKPYCGJMO-HUUCEWRRSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033148532 712082734 /nfs/dbraw/zinc/08/27/34/712082734.db2.gz CTFCPXKPYCGJMO-HUUCEWRRSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033148523 712083137 /nfs/dbraw/zinc/08/31/37/712083137.db2.gz CTFCPXKPYCGJMO-CABCVRRESA-N 2 2 343.431 1.790 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033148523 712083138 /nfs/dbraw/zinc/08/31/38/712083138.db2.gz CTFCPXKPYCGJMO-CABCVRRESA-N 2 2 343.431 1.790 20 0 EDADLP CCc1cc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061542218 712302763 /nfs/dbraw/zinc/30/27/63/712302763.db2.gz JSDDMMOZLJTYPD-GOEBONIOSA-N 2 2 331.464 1.384 20 0 EDADLP CCc1cc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061542218 712302764 /nfs/dbraw/zinc/30/27/64/712302764.db2.gz JSDDMMOZLJTYPD-GOEBONIOSA-N 2 2 331.464 1.384 20 0 EDADLP CC[NH+](CC)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758555 214104110 /nfs/dbraw/zinc/10/41/10/214104110.db2.gz DUGSTBRGVTXJQB-UHFFFAOYSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)no1 ZINC000357210606 282144518 /nfs/dbraw/zinc/14/45/18/282144518.db2.gz KXSHLIJIXYTSTO-INIZCTEOSA-N 2 2 342.443 1.735 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)no1 ZINC000357210606 282144521 /nfs/dbraw/zinc/14/45/21/282144521.db2.gz KXSHLIJIXYTSTO-INIZCTEOSA-N 2 2 342.443 1.735 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000558652458 306242264 /nfs/dbraw/zinc/24/22/64/306242264.db2.gz UKTQWPFAKRTUSO-WMZOPIPTSA-N 2 2 331.460 1.518 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000558652458 306242265 /nfs/dbraw/zinc/24/22/65/306242265.db2.gz UKTQWPFAKRTUSO-WMZOPIPTSA-N 2 2 331.460 1.518 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000345288109 282257536 /nfs/dbraw/zinc/25/75/36/282257536.db2.gz JDEQDZVDLGKZAV-HYVNUMGLSA-N 2 2 325.497 1.722 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000345288109 282257538 /nfs/dbraw/zinc/25/75/38/282257538.db2.gz JDEQDZVDLGKZAV-HYVNUMGLSA-N 2 2 325.497 1.722 20 0 EDADLP C[N@H+](CCn1cc[nH+]c1)CC(=O)Nc1ccc(Br)cn1 ZINC000131496426 529940737 /nfs/dbraw/zinc/94/07/37/529940737.db2.gz YJJBBLJABYOIPK-UHFFFAOYSA-N 2 2 338.209 1.611 20 0 EDADLP C[N@@H+](CCn1cc[nH+]c1)CC(=O)Nc1ccc(Br)cn1 ZINC000131496426 529940739 /nfs/dbraw/zinc/94/07/39/529940739.db2.gz YJJBBLJABYOIPK-UHFFFAOYSA-N 2 2 338.209 1.611 20 0 EDADLP CN(CC1CC1)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346947058 282339158 /nfs/dbraw/zinc/33/91/58/282339158.db2.gz ZKSLTVGPOWRHSA-QFBILLFUSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346947058 282339161 /nfs/dbraw/zinc/33/91/61/282339161.db2.gz ZKSLTVGPOWRHSA-QFBILLFUSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346947058 282339163 /nfs/dbraw/zinc/33/91/63/282339163.db2.gz ZKSLTVGPOWRHSA-QFBILLFUSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346947058 282339165 /nfs/dbraw/zinc/33/91/65/282339165.db2.gz ZKSLTVGPOWRHSA-QFBILLFUSA-N 2 2 347.507 1.603 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000066203224 215022674 /nfs/dbraw/zinc/02/26/74/215022674.db2.gz MIZZXEMMFJNSKB-INIZCTEOSA-N 2 2 333.480 1.639 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000066203224 215022680 /nfs/dbraw/zinc/02/26/80/215022680.db2.gz MIZZXEMMFJNSKB-INIZCTEOSA-N 2 2 333.480 1.639 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCCn3cc[nH+]c3)c2C1 ZINC000067492150 215154409 /nfs/dbraw/zinc/15/44/09/215154409.db2.gz JALNFHZBQDFYJH-UHFFFAOYSA-N 2 2 341.415 1.364 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCCn3cc[nH+]c3)c2C1 ZINC000067492150 215154412 /nfs/dbraw/zinc/15/44/12/215154412.db2.gz JALNFHZBQDFYJH-UHFFFAOYSA-N 2 2 341.415 1.364 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1noc(-c2ccccc2)n1 ZINC000561190794 306283998 /nfs/dbraw/zinc/28/39/98/306283998.db2.gz SBJFSVZLCNCLLN-OCCSQVGLSA-N 2 2 344.419 1.082 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1noc(-c2ccccc2)n1 ZINC000561190794 306283999 /nfs/dbraw/zinc/28/39/99/306283999.db2.gz SBJFSVZLCNCLLN-OCCSQVGLSA-N 2 2 344.419 1.082 20 0 EDADLP Cc1ccsc1CNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151151908 539743567 /nfs/dbraw/zinc/74/35/67/539743567.db2.gz VFQIEGCRUKBISB-UHFFFAOYSA-N 2 2 330.457 1.890 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000343009608 539775304 /nfs/dbraw/zinc/77/53/04/539775304.db2.gz HVYXNXHYPMXFGI-HIFRSBDPSA-N 2 2 349.479 1.032 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC3(CCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000343777241 539796602 /nfs/dbraw/zinc/79/66/02/539796602.db2.gz XVCYSMJHARUACF-ZACQAIPSSA-N 2 2 325.497 1.017 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC3(CCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000343777241 539796606 /nfs/dbraw/zinc/79/66/06/539796606.db2.gz XVCYSMJHARUACF-ZACQAIPSSA-N 2 2 325.497 1.017 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000562259156 306293204 /nfs/dbraw/zinc/29/32/04/306293204.db2.gz KMIXXEZBJITEQB-JKSUJKDBSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000562259156 306293205 /nfs/dbraw/zinc/29/32/05/306293205.db2.gz KMIXXEZBJITEQB-JKSUJKDBSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000562259156 306293206 /nfs/dbraw/zinc/29/32/06/306293206.db2.gz KMIXXEZBJITEQB-JKSUJKDBSA-N 2 2 333.480 1.828 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000562259156 306293207 /nfs/dbraw/zinc/29/32/07/306293207.db2.gz KMIXXEZBJITEQB-JKSUJKDBSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152387343 539808598 /nfs/dbraw/zinc/80/85/98/539808598.db2.gz JUNOSWKASVEFEU-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152387343 539808601 /nfs/dbraw/zinc/80/86/01/539808601.db2.gz JUNOSWKASVEFEU-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152532429 539817226 /nfs/dbraw/zinc/81/72/26/539817226.db2.gz ZFXCKPFQKUWJTG-FUHWJXTLSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152532429 539817233 /nfs/dbraw/zinc/81/72/33/539817233.db2.gz ZFXCKPFQKUWJTG-FUHWJXTLSA-N 2 2 346.475 1.233 20 0 EDADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181043273 234069664 /nfs/dbraw/zinc/06/96/64/234069664.db2.gz BAIKQFWOFUKTQJ-PKOBYXMFSA-N 2 2 345.487 1.449 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000352922387 539929047 /nfs/dbraw/zinc/92/90/47/539929047.db2.gz REGBFPXYDWKEPZ-GBGWRMMESA-N 2 2 325.497 1.014 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000352922387 539929049 /nfs/dbraw/zinc/92/90/49/539929049.db2.gz REGBFPXYDWKEPZ-GBGWRMMESA-N 2 2 325.497 1.014 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000352922387 539929053 /nfs/dbraw/zinc/92/90/53/539929053.db2.gz REGBFPXYDWKEPZ-GBGWRMMESA-N 2 2 325.497 1.014 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000352922387 539929056 /nfs/dbraw/zinc/92/90/56/539929056.db2.gz REGBFPXYDWKEPZ-GBGWRMMESA-N 2 2 325.497 1.014 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CC[NH+](C3CCCC3)CC2)nc[nH+]1 ZINC000105787089 219521778 /nfs/dbraw/zinc/52/17/78/219521778.db2.gz ZBYGZDPDRSUSCW-INIZCTEOSA-N 2 2 331.464 1.502 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171103491 540092187 /nfs/dbraw/zinc/09/21/87/540092187.db2.gz XLTQGRRRSHKLAK-UHFFFAOYSA-N 2 2 338.496 1.271 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171103491 540092190 /nfs/dbraw/zinc/09/21/90/540092190.db2.gz XLTQGRRRSHKLAK-UHFFFAOYSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)n(C2CC[NH+](C)CC2)n1 ZINC000563381823 306331061 /nfs/dbraw/zinc/33/10/61/306331061.db2.gz VRORCROSGAWJPC-LBPRGKRZSA-N 2 2 330.436 1.999 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)n(C2CC[NH+](C)CC2)n1 ZINC000563381823 306331062 /nfs/dbraw/zinc/33/10/62/306331062.db2.gz VRORCROSGAWJPC-LBPRGKRZSA-N 2 2 330.436 1.999 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000563410726 306332188 /nfs/dbraw/zinc/33/21/88/306332188.db2.gz LDNHKUMZQRLBPA-DYQSUWPFSA-N 2 2 329.366 1.963 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000563410726 306332189 /nfs/dbraw/zinc/33/21/89/306332189.db2.gz LDNHKUMZQRLBPA-DYQSUWPFSA-N 2 2 329.366 1.963 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000052871206 138139732 /nfs/dbraw/zinc/13/97/32/138139732.db2.gz KFJWNFNPAYNFJL-PKOBYXMFSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CO)CC1 ZINC000052871206 138139734 /nfs/dbraw/zinc/13/97/34/138139734.db2.gz KFJWNFNPAYNFJL-PKOBYXMFSA-N 2 2 345.487 1.739 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131485684 138360344 /nfs/dbraw/zinc/36/03/44/138360344.db2.gz FNGUDZZLIABYLY-MRXNPFEDSA-N 2 2 340.427 1.916 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000447657549 305283637 /nfs/dbraw/zinc/28/36/37/305283637.db2.gz TXVKORBDHFNMBN-OAHLLOKOSA-N 2 2 331.526 1.241 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000563955524 306353407 /nfs/dbraw/zinc/35/34/07/306353407.db2.gz JXJMISOGRVDQEO-BLLLJJGKSA-N 2 2 341.402 1.174 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)COC)CC2)CC1 ZINC000643343732 452142552 /nfs/dbraw/zinc/14/25/52/452142552.db2.gz ZEBRIUMWHOKZQL-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)COC)CC2)CC1 ZINC000643343732 452142560 /nfs/dbraw/zinc/14/25/60/452142560.db2.gz ZEBRIUMWHOKZQL-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1c1ccccc1Cl ZINC000564201146 306356684 /nfs/dbraw/zinc/35/66/84/306356684.db2.gz DVQHYWOEXJDHHT-OWQGQXMQSA-N 2 2 349.862 1.802 20 0 EDADLP [NH3+]CCc1nc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000173674911 138673177 /nfs/dbraw/zinc/67/31/77/138673177.db2.gz GOTGNMAXRLVRMR-UHFFFAOYSA-N 2 2 346.456 1.729 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000564784402 306364451 /nfs/dbraw/zinc/36/44/51/306364451.db2.gz VHYAODNLMWWHQA-ZDUSSCGKSA-N 2 2 329.404 1.031 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129583349 223072027 /nfs/dbraw/zinc/07/20/27/223072027.db2.gz JBJWZXHXTQRERQ-QZTJIDSGSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129583349 223072029 /nfs/dbraw/zinc/07/20/29/223072029.db2.gz JBJWZXHXTQRERQ-QZTJIDSGSA-N 2 2 334.460 1.389 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(-n2cc[nH+]c2)nc1 ZINC000131418083 223231229 /nfs/dbraw/zinc/23/12/29/223231229.db2.gz YOBOVPGQAOWRLA-INIZCTEOSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-n2cc[nH+]c2)nc1 ZINC000131418083 223231232 /nfs/dbraw/zinc/23/12/32/223231232.db2.gz YOBOVPGQAOWRLA-INIZCTEOSA-N 2 2 343.431 1.234 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000072859623 216318201 /nfs/dbraw/zinc/31/82/01/216318201.db2.gz SUXLWEYRMSEJFQ-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000072859623 216318203 /nfs/dbraw/zinc/31/82/03/216318203.db2.gz SUXLWEYRMSEJFQ-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000072859623 216318205 /nfs/dbraw/zinc/31/82/05/216318205.db2.gz SUXLWEYRMSEJFQ-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000072859623 216318206 /nfs/dbraw/zinc/31/82/06/216318206.db2.gz SUXLWEYRMSEJFQ-INIZCTEOSA-N 2 2 332.448 1.286 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000072857940 216319580 /nfs/dbraw/zinc/31/95/80/216319580.db2.gz GWXMBXHYZBMDKG-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000072857940 216319584 /nfs/dbraw/zinc/31/95/84/216319584.db2.gz GWXMBXHYZBMDKG-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000072857940 216319587 /nfs/dbraw/zinc/31/95/87/216319587.db2.gz GWXMBXHYZBMDKG-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000072857940 216319592 /nfs/dbraw/zinc/31/95/92/216319592.db2.gz GWXMBXHYZBMDKG-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414352542 304110244 /nfs/dbraw/zinc/11/02/44/304110244.db2.gz XCAARRLCLMFWDM-WCQYABFASA-N 2 2 328.254 1.683 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414352542 304110247 /nfs/dbraw/zinc/11/02/47/304110247.db2.gz XCAARRLCLMFWDM-WCQYABFASA-N 2 2 328.254 1.683 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ccc[nH+]c2N2CCC(CO)CC2)n1C ZINC000414360393 304111686 /nfs/dbraw/zinc/11/16/86/304111686.db2.gz ADUGZHPTCHZRKB-UHFFFAOYSA-N 2 2 344.463 1.702 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)NC3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000566786366 306428396 /nfs/dbraw/zinc/42/83/96/306428396.db2.gz CIEZXUWQEKGYIU-UHFFFAOYSA-N 2 2 331.464 1.869 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COCc3ccccc3)CC2)CC1 ZINC000195206890 139010168 /nfs/dbraw/zinc/01/01/68/139010168.db2.gz FHUSAGRJQVGFID-UHFFFAOYSA-N 2 2 345.487 1.878 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c2[nH+]ccn2C)cc1 ZINC000237353617 139048969 /nfs/dbraw/zinc/04/89/69/139048969.db2.gz VUKAPFPPIIXKHQ-LZWOXQAQSA-N 2 2 328.416 1.762 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000111456327 220158352 /nfs/dbraw/zinc/15/83/52/220158352.db2.gz YICRCYKVQQTPPR-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000111456327 220158355 /nfs/dbraw/zinc/15/83/55/220158355.db2.gz YICRCYKVQQTPPR-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000237625196 139056110 /nfs/dbraw/zinc/05/61/10/139056110.db2.gz XDGZGZQJBPPXNI-KSZLIROESA-N 2 2 331.460 1.612 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238111112 139069085 /nfs/dbraw/zinc/06/90/85/139069085.db2.gz YJDJEIZEDDWGPH-ROUUACIJSA-N 2 2 343.471 1.566 20 0 EDADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246569121 139113241 /nfs/dbraw/zinc/11/32/41/139113241.db2.gz DTMCUBLHLMFPIW-FGTMMUONSA-N 2 2 337.508 1.678 20 0 EDADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352477535 284545328 /nfs/dbraw/zinc/54/53/28/284545328.db2.gz MROCQLIXYNELSO-MOPGFXCFSA-N 2 2 344.503 1.576 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415320783 304194071 /nfs/dbraw/zinc/19/40/71/304194071.db2.gz WOOMWFFYSZXTHZ-CQSZACIVSA-N 2 2 335.452 1.722 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247354979 139145814 /nfs/dbraw/zinc/14/58/14/139145814.db2.gz YIUISINZFZZUPR-JKSUJKDBSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247354979 139145815 /nfs/dbraw/zinc/14/58/15/139145815.db2.gz YIUISINZFZZUPR-JKSUJKDBSA-N 2 2 331.464 1.773 20 0 EDADLP O=C(NC[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)[C@H]1CCC[NH2+]1 ZINC000261600735 139209748 /nfs/dbraw/zinc/20/97/48/139209748.db2.gz BESRDVKYDTWRNB-XJKSGUPXSA-N 2 2 327.432 1.648 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000261607853 139210463 /nfs/dbraw/zinc/21/04/63/139210463.db2.gz CZYJWIFOYIHVTN-SJLPKXTDSA-N 2 2 330.476 1.752 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)c1c(F)cccc1F ZINC000261671611 139216019 /nfs/dbraw/zinc/21/60/19/139216019.db2.gz GGPDGUGGUDJGBY-GOEBONIOSA-N 2 2 341.402 1.438 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(Br)cn3)C[C@@H]12 ZINC000261756358 139223451 /nfs/dbraw/zinc/22/34/51/139223451.db2.gz NHEXZQHTCNAFLU-MVWJERBFSA-N 2 2 339.237 1.452 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cn3)C[C@@H]12 ZINC000261756358 139223452 /nfs/dbraw/zinc/22/34/52/139223452.db2.gz NHEXZQHTCNAFLU-MVWJERBFSA-N 2 2 339.237 1.452 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261800191 139227141 /nfs/dbraw/zinc/22/71/41/139227141.db2.gz VRZXPSRCPDYROL-XIKOKIGWSA-N 2 2 348.447 1.651 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261800191 139227142 /nfs/dbraw/zinc/22/71/42/139227142.db2.gz VRZXPSRCPDYROL-XIKOKIGWSA-N 2 2 348.447 1.651 20 0 EDADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000261832920 139229894 /nfs/dbraw/zinc/22/98/94/139229894.db2.gz XVIODYHLMKAJBT-UHFFFAOYSA-N 2 2 339.461 1.795 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C3([NH3+])CCOCC3)CC2)cc1 ZINC000261931387 139238216 /nfs/dbraw/zinc/23/82/16/139238216.db2.gz WIGNQZXGAWGIFD-UHFFFAOYSA-N 2 2 347.459 1.237 20 0 EDADLP C[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000261982690 139241658 /nfs/dbraw/zinc/24/16/58/139241658.db2.gz MGRWYMVWXOKHKL-HNAYVOBHSA-N 2 2 348.466 1.534 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)Cn1cccn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262006509 139243393 /nfs/dbraw/zinc/24/33/93/139243393.db2.gz RRXFFDTZJIKPFZ-OAHLLOKOSA-N 2 2 342.447 1.270 20 0 EDADLP CCOC(=O)c1cnc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000262035767 139245546 /nfs/dbraw/zinc/24/55/46/139245546.db2.gz XRUCVNSMLKHOSQ-CYBMUJFWSA-N 2 2 338.477 1.441 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262228626 139261862 /nfs/dbraw/zinc/26/18/62/139261862.db2.gz NQAYUWJZUOWYSY-OAHLLOKOSA-N 2 2 345.447 1.251 20 0 EDADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000262306306 139268605 /nfs/dbraw/zinc/26/86/05/139268605.db2.gz BHGNXDRPWYHWQA-ZDUSSCGKSA-N 2 2 325.840 1.458 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)[NH+]2CCOCC2)cc1 ZINC000417174140 251145142 /nfs/dbraw/zinc/14/51/42/251145142.db2.gz IIFXVYJPKSBDBB-QZTJIDSGSA-N 2 2 348.491 1.651 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417269355 251151739 /nfs/dbraw/zinc/15/17/39/251151739.db2.gz LEMFIAPCRDKHBS-CQSZACIVSA-N 2 2 331.395 1.905 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000417410391 251164366 /nfs/dbraw/zinc/16/43/66/251164366.db2.gz BLAVATUSSKHSCH-QGZVFWFLSA-N 2 2 348.491 1.877 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000417410391 251164369 /nfs/dbraw/zinc/16/43/69/251164369.db2.gz BLAVATUSSKHSCH-QGZVFWFLSA-N 2 2 348.491 1.877 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417499343 251180866 /nfs/dbraw/zinc/18/08/66/251180866.db2.gz GBFSHLMPVJKBNI-SHTZXODSSA-N 2 2 326.485 1.162 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417499343 251180869 /nfs/dbraw/zinc/18/08/69/251180869.db2.gz GBFSHLMPVJKBNI-SHTZXODSSA-N 2 2 326.485 1.162 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417557319 251186718 /nfs/dbraw/zinc/18/67/18/251186718.db2.gz BDSOGUCOLZHNRR-DGCLKSJQSA-N 2 2 329.395 1.372 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417828272 251286827 /nfs/dbraw/zinc/28/68/27/251286827.db2.gz OUXHOBUBYJFVEW-RWMBFGLXSA-N 2 2 326.466 1.156 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417828272 251286831 /nfs/dbraw/zinc/28/68/31/251286831.db2.gz OUXHOBUBYJFVEW-RWMBFGLXSA-N 2 2 326.466 1.156 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000417846472 251295898 /nfs/dbraw/zinc/29/58/98/251295898.db2.gz UCZMTPFLXYPGTJ-HTWSVDAQSA-N 2 2 330.476 1.327 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418474571 251373504 /nfs/dbraw/zinc/37/35/04/251373504.db2.gz SKEUNFWRMKZFGQ-WBVHZDCISA-N 2 2 334.439 1.780 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418474569 251373858 /nfs/dbraw/zinc/37/38/58/251373858.db2.gz SKEUNFWRMKZFGQ-NVXWUHKLSA-N 2 2 334.439 1.780 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)cn2)CC1 ZINC000422882537 252009592 /nfs/dbraw/zinc/00/95/92/252009592.db2.gz SNGBLXIUQSVEKU-FUHWJXTLSA-N 3 2 347.507 1.080 20 0 EDADLP C[NH+](C)CCOc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422893531 252013618 /nfs/dbraw/zinc/01/36/18/252013618.db2.gz ADGWHZUOSWDPSU-RTBURBONSA-N 3 2 333.476 1.484 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422896276 252015107 /nfs/dbraw/zinc/01/51/07/252015107.db2.gz IBGNQWYZJRYSNP-MOPGFXCFSA-N 3 2 333.476 1.484 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074707 252034891 /nfs/dbraw/zinc/03/48/91/252034891.db2.gz MQLBWVOIWXAUOY-KWCYVHTRSA-N 2 2 346.393 1.612 20 0 EDADLP COc1ccc([C@H](NCC2([NH+]3CCOCC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423073332 252035176 /nfs/dbraw/zinc/03/51/76/252035176.db2.gz IOEAXHUQEGBBHO-OALUTQOASA-N 2 2 345.487 1.943 20 0 EDADLP COc1ccc([C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423073332 252035179 /nfs/dbraw/zinc/03/51/79/252035179.db2.gz IOEAXHUQEGBBHO-OALUTQOASA-N 2 2 345.487 1.943 20 0 EDADLP COC[C@]1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC[NH2+]C1 ZINC000423346589 252047934 /nfs/dbraw/zinc/04/79/34/252047934.db2.gz YSGQPAVRUXTIBD-IBGZPJMESA-N 2 2 346.475 1.704 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@]2(COC)CCC[NH2+]2)[C@H]1Oc1ccccc1 ZINC000423414193 252054192 /nfs/dbraw/zinc/05/41/92/252054192.db2.gz MDXCUYRVHURXDL-MANSERQUSA-N 2 2 334.460 1.970 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512904 252057377 /nfs/dbraw/zinc/05/73/77/252057377.db2.gz QSFFLRUACOIGAW-LALPHHSUSA-N 2 2 342.281 1.916 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512904 252057379 /nfs/dbraw/zinc/05/73/79/252057379.db2.gz QSFFLRUACOIGAW-LALPHHSUSA-N 2 2 342.281 1.916 20 0 EDADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1OCC(=O)N(C)C ZINC000423515069 252057479 /nfs/dbraw/zinc/05/74/79/252057479.db2.gz FAACYMJKMCIILF-GDBMZVCRSA-N 2 2 335.448 1.183 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)C[C@H](C[NH3+])OC)ccc2n1C1CC1 ZINC000423932709 252105261 /nfs/dbraw/zinc/10/52/61/252105261.db2.gz PLJHNUDDRGTJBL-CQSZACIVSA-N 2 2 330.432 1.914 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000424005897 252112845 /nfs/dbraw/zinc/11/28/45/252112845.db2.gz WKGBBKFVXWDSAB-DLBZAZTESA-N 2 2 339.443 1.252 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000424005897 252112848 /nfs/dbraw/zinc/11/28/48/252112848.db2.gz WKGBBKFVXWDSAB-DLBZAZTESA-N 2 2 339.443 1.252 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)C[C@H]2[NH3+])cn1 ZINC000424388576 252206862 /nfs/dbraw/zinc/20/68/62/252206862.db2.gz ZDLSWRROBKQAKT-ZWKOTPCHSA-N 2 2 326.444 1.714 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@H]2[NH3+])cn1 ZINC000424388576 252206863 /nfs/dbraw/zinc/20/68/63/252206863.db2.gz ZDLSWRROBKQAKT-ZWKOTPCHSA-N 2 2 326.444 1.714 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)CN1CC[NH+]1CCOCC1 ZINC000181044952 296348108 /nfs/dbraw/zinc/34/81/08/296348108.db2.gz WBLJRYAFEPPXFL-FUHWJXTLSA-N 2 2 347.434 1.336 20 0 EDADLP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000263132170 139324144 /nfs/dbraw/zinc/32/41/44/139324144.db2.gz BVARKJPFXQSAKD-RNCFNFMXSA-N 2 2 342.230 1.244 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[NH2+]C3CC3)c[nH+]2)C[C@H](C)O1 ZINC000569987565 306527676 /nfs/dbraw/zinc/52/76/76/306527676.db2.gz ATPYQKVPQXIQKD-OKILXGFUSA-N 2 2 332.448 1.454 20 0 EDADLP COCCn1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000371423091 285191083 /nfs/dbraw/zinc/19/10/83/285191083.db2.gz UPGGMGJRUSUCNK-SFHVURJKSA-N 2 2 335.496 1.131 20 0 EDADLP COCCn1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000371423091 285191086 /nfs/dbraw/zinc/19/10/86/285191086.db2.gz UPGGMGJRUSUCNK-SFHVURJKSA-N 2 2 335.496 1.131 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570306826 306536892 /nfs/dbraw/zinc/53/68/92/306536892.db2.gz YXHRXXGKGWUJTH-MSOLQXFVSA-N 2 2 339.443 1.682 20 0 EDADLP C[N@@H+](CCCCCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000263697746 139353624 /nfs/dbraw/zinc/35/36/24/139353624.db2.gz AUOOLBVJZKOOMS-UHFFFAOYSA-N 2 2 333.476 1.425 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncnn2CC(F)F)CC1 ZINC000487875829 255037893 /nfs/dbraw/zinc/03/78/93/255037893.db2.gz GSLUSDRIENGWHG-GFCCVEGCSA-N 2 2 331.411 1.068 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncnn2CC(F)F)CC1 ZINC000487875829 255037895 /nfs/dbraw/zinc/03/78/95/255037895.db2.gz GSLUSDRIENGWHG-GFCCVEGCSA-N 2 2 331.411 1.068 20 0 EDADLP C[C@@H](CNC(=O)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000487820224 255036474 /nfs/dbraw/zinc/03/64/74/255036474.db2.gz LQZIIHLMAJTPSB-QAETUUGQSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H](CNC(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000487820224 255036476 /nfs/dbraw/zinc/03/64/76/255036476.db2.gz LQZIIHLMAJTPSB-QAETUUGQSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CS1 ZINC000488420245 255043352 /nfs/dbraw/zinc/04/33/52/255043352.db2.gz QHMWNQNCYODISP-SJORKVTESA-N 2 2 329.554 1.496 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415785987 304270439 /nfs/dbraw/zinc/27/04/39/304270439.db2.gz HPKIJCJWUXAFMH-PSASIEDQSA-N 2 2 342.241 1.864 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)[C@@H](C[NH3+])C1 ZINC000493414085 255207521 /nfs/dbraw/zinc/20/75/21/255207521.db2.gz BKVNYNYHVWUFOP-JDGPPOGSSA-N 2 2 337.807 1.183 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)[C@@H](C[NH3+])C1 ZINC000493414085 255207522 /nfs/dbraw/zinc/20/75/22/255207522.db2.gz BKVNYNYHVWUFOP-JDGPPOGSSA-N 2 2 337.807 1.183 20 0 EDADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000493166626 255194219 /nfs/dbraw/zinc/19/42/19/255194219.db2.gz ZGXPJXUDIUESET-SREVYHEPSA-N 2 2 326.400 1.646 20 0 EDADLP CC[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000495201724 255272625 /nfs/dbraw/zinc/27/26/25/255272625.db2.gz LORDLISTYYLBBM-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP CC[C@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000495201724 255272626 /nfs/dbraw/zinc/27/26/26/255272626.db2.gz LORDLISTYYLBBM-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000494236954 255243084 /nfs/dbraw/zinc/24/30/84/255243084.db2.gz HNZXFYSWNXXVSF-WMLDXEAASA-N 2 2 337.489 1.549 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000494667084 255256790 /nfs/dbraw/zinc/25/67/90/255256790.db2.gz IOMDROOYYNZFTC-HNNXBMFYSA-N 2 2 335.452 1.294 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000494667084 255256791 /nfs/dbraw/zinc/25/67/91/255256791.db2.gz IOMDROOYYNZFTC-HNNXBMFYSA-N 2 2 335.452 1.294 20 0 EDADLP CN1C[C@@H](C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)OC1=O ZINC000495792746 255326077 /nfs/dbraw/zinc/32/60/77/255326077.db2.gz HCCLOSROYYZDBV-SFHVURJKSA-N 2 2 346.475 1.187 20 0 EDADLP CN1C[C@@H](C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)OC1=O ZINC000495792746 255326078 /nfs/dbraw/zinc/32/60/78/255326078.db2.gz HCCLOSROYYZDBV-SFHVURJKSA-N 2 2 346.475 1.187 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000496041233 255345667 /nfs/dbraw/zinc/34/56/67/255345667.db2.gz FJIXCEUAODBEQY-PBFPGSCMSA-N 2 2 327.469 1.477 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000496041233 255345668 /nfs/dbraw/zinc/34/56/68/255345668.db2.gz FJIXCEUAODBEQY-PBFPGSCMSA-N 2 2 327.469 1.477 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCN2CCOC2=O)[C@H]2CCC[NH2+]2)cc1 ZINC000496217122 255365822 /nfs/dbraw/zinc/36/58/22/255365822.db2.gz IVDJIYBOISPWRV-SJORKVTESA-N 2 2 333.432 1.920 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000073628151 285286957 /nfs/dbraw/zinc/28/69/57/285286957.db2.gz QSVLWHUVMBXXSW-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000073628151 285286959 /nfs/dbraw/zinc/28/69/59/285286959.db2.gz QSVLWHUVMBXXSW-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117755514 221086243 /nfs/dbraw/zinc/08/62/43/221086243.db2.gz QVZGOEDWJQPPRA-UHFFFAOYSA-N 2 2 341.459 1.630 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000117808224 221092205 /nfs/dbraw/zinc/09/22/05/221092205.db2.gz OZOCMNWZVSYGCX-HNNXBMFYSA-N 2 2 328.416 1.665 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000117808224 221092209 /nfs/dbraw/zinc/09/22/09/221092209.db2.gz OZOCMNWZVSYGCX-HNNXBMFYSA-N 2 2 328.416 1.665 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000118102598 221117762 /nfs/dbraw/zinc/11/77/62/221117762.db2.gz NGNWRHGLCYIPPB-INIZCTEOSA-N 2 2 341.415 1.267 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000155018401 224343680 /nfs/dbraw/zinc/34/36/80/224343680.db2.gz UCMJQCPKBXFPNR-CQSZACIVSA-N 2 2 332.448 1.874 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)ccc2[nH+]1 ZINC000415842924 304280018 /nfs/dbraw/zinc/28/00/18/304280018.db2.gz PJMXKVRISCLMEU-AWEZNQCLSA-N 2 2 329.404 1.215 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000264296208 139394574 /nfs/dbraw/zinc/39/45/74/139394574.db2.gz VVQVJSAIWPEGIM-KBPBESRZSA-N 2 2 335.452 1.056 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1(C)C ZINC000416053030 304287481 /nfs/dbraw/zinc/28/74/81/304287481.db2.gz VCIFGBNNNSNCQM-VHSXEESVSA-N 2 2 333.358 1.792 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CC(OCc3ccccc3)C2)C[C@@H](C)O1 ZINC000571316100 306562778 /nfs/dbraw/zinc/56/27/78/306562778.db2.gz RQXSMXRXEDVCME-LUMCNRMDSA-N 2 2 348.487 1.794 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)nc(C(C)C)[nH+]1 ZINC000051593611 132181746 /nfs/dbraw/zinc/18/17/46/132181746.db2.gz YQFSFLRULCADMI-MRXNPFEDSA-N 2 2 344.463 1.288 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC)c1ccccc1 ZINC000270516791 140115494 /nfs/dbraw/zinc/11/54/94/140115494.db2.gz SBCUXCLXDUQSMS-JKSUJKDBSA-N 2 2 344.415 1.303 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC)c1ccccc1 ZINC000270516791 140115496 /nfs/dbraw/zinc/11/54/96/140115496.db2.gz SBCUXCLXDUQSMS-JKSUJKDBSA-N 2 2 344.415 1.303 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC)c1ccccc1 ZINC000270516791 140115499 /nfs/dbraw/zinc/11/54/99/140115499.db2.gz SBCUXCLXDUQSMS-JKSUJKDBSA-N 2 2 344.415 1.303 20 0 EDADLP CCOc1ccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000270675380 140145782 /nfs/dbraw/zinc/14/57/82/140145782.db2.gz SLLMLPVNSJRLJR-UHFFFAOYSA-N 2 2 348.491 1.593 20 0 EDADLP CCOc1ccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000270675380 140145784 /nfs/dbraw/zinc/14/57/84/140145784.db2.gz SLLMLPVNSJRLJR-UHFFFAOYSA-N 2 2 348.491 1.593 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)ccc2[nH+]1 ZINC000271775505 140348178 /nfs/dbraw/zinc/34/81/78/140348178.db2.gz GULSZTHWQUZGLQ-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)ccc2[nH+]1 ZINC000271775505 140348179 /nfs/dbraw/zinc/34/81/79/140348179.db2.gz GULSZTHWQUZGLQ-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000571896673 306576836 /nfs/dbraw/zinc/57/68/36/306576836.db2.gz BOPVJQCGIQLJOY-CABCVRRESA-N 2 2 334.468 1.043 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000332046855 141114779 /nfs/dbraw/zinc/11/47/79/141114779.db2.gz MNJIHDDTWOEDFR-GJZGRUSLSA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000332046855 141114780 /nfs/dbraw/zinc/11/47/80/141114780.db2.gz MNJIHDDTWOEDFR-GJZGRUSLSA-N 2 2 344.459 1.648 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000333393052 141310905 /nfs/dbraw/zinc/31/09/05/141310905.db2.gz PBAZKRNTFDRXBP-ZMSDIMECSA-N 2 2 338.496 1.127 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)[nH+]cn1 ZINC000333615290 141345278 /nfs/dbraw/zinc/34/52/78/141345278.db2.gz YQMPGTFDVPFOCU-JKSUJKDBSA-N 2 2 331.464 1.406 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc[nH+]1 ZINC000333615290 141345279 /nfs/dbraw/zinc/34/52/79/141345279.db2.gz YQMPGTFDVPFOCU-JKSUJKDBSA-N 2 2 331.464 1.406 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2c1 ZINC000333711488 141363335 /nfs/dbraw/zinc/36/33/35/141363335.db2.gz FMSOICLHWUZHQR-QLFBSQMISA-N 2 2 327.432 1.830 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000333852302 141394627 /nfs/dbraw/zinc/39/46/27/141394627.db2.gz QGBYZGZWVJHBPW-MRXNPFEDSA-N 2 2 331.464 1.846 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)C2=O)n1 ZINC000339426424 142045084 /nfs/dbraw/zinc/04/50/84/142045084.db2.gz LTSSLXZMACVVTN-CRAIPNDOSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)C2=O)n1 ZINC000339426424 142045085 /nfs/dbraw/zinc/04/50/85/142045085.db2.gz LTSSLXZMACVVTN-CRAIPNDOSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)C2=O)n1 ZINC000339426424 142045086 /nfs/dbraw/zinc/04/50/86/142045086.db2.gz LTSSLXZMACVVTN-CRAIPNDOSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)C2=O)n1 ZINC000339426424 142045087 /nfs/dbraw/zinc/04/50/87/142045087.db2.gz LTSSLXZMACVVTN-CRAIPNDOSA-N 2 2 331.464 1.333 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C[C@@H](C)O1 ZINC000339539881 142071200 /nfs/dbraw/zinc/07/12/00/142071200.db2.gz IXIKIORNCBBMEV-BZUAXINKSA-N 2 2 349.479 1.418 20 0 EDADLP C[C@H](C[C@@H]1CCCO1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340254559 142321036 /nfs/dbraw/zinc/32/10/36/142321036.db2.gz OWTCWINMVRQNGD-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000345289707 143073691 /nfs/dbraw/zinc/07/36/91/143073691.db2.gz KSEDPMTWKJIYIN-GPMSIDNRSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000345289707 143073692 /nfs/dbraw/zinc/07/36/92/143073692.db2.gz KSEDPMTWKJIYIN-GPMSIDNRSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000345350182 143081169 /nfs/dbraw/zinc/08/11/69/143081169.db2.gz YYCLMXITCYSUJD-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000345350182 143081170 /nfs/dbraw/zinc/08/11/70/143081170.db2.gz YYCLMXITCYSUJD-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[NH+](C)CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345350182 143081171 /nfs/dbraw/zinc/08/11/71/143081171.db2.gz YYCLMXITCYSUJD-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1C[NH+](C)CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345350182 143081172 /nfs/dbraw/zinc/08/11/72/143081172.db2.gz YYCLMXITCYSUJD-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000345555388 143105395 /nfs/dbraw/zinc/10/53/95/143105395.db2.gz CXABLCQYNYFYAT-LTIDMASMSA-N 2 2 344.459 1.085 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000345555388 143105396 /nfs/dbraw/zinc/10/53/96/143105396.db2.gz CXABLCQYNYFYAT-LTIDMASMSA-N 2 2 344.459 1.085 20 0 EDADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000345712459 143124449 /nfs/dbraw/zinc/12/44/49/143124449.db2.gz KZBHPFRXBFVGEE-CYBMUJFWSA-N 2 2 331.794 1.967 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000345758055 143129667 /nfs/dbraw/zinc/12/96/67/143129667.db2.gz KMOMRYRBAPHDCX-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000345758055 143129668 /nfs/dbraw/zinc/12/96/68/143129668.db2.gz KMOMRYRBAPHDCX-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000345829948 143137652 /nfs/dbraw/zinc/13/76/52/143137652.db2.gz AOCXPVHMVTYWBW-LTIDMASMSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000345829948 143137653 /nfs/dbraw/zinc/13/76/53/143137653.db2.gz AOCXPVHMVTYWBW-LTIDMASMSA-N 2 2 328.460 1.897 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000345953361 143150834 /nfs/dbraw/zinc/15/08/34/143150834.db2.gz UJHMFUMKIIXDGA-LJQANCHMSA-N 2 2 345.487 1.530 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000345953361 143150835 /nfs/dbraw/zinc/15/08/35/143150835.db2.gz UJHMFUMKIIXDGA-LJQANCHMSA-N 2 2 345.487 1.530 20 0 EDADLP C[C@H]1CN(c2nccn(C3CC3)c2=O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000346259197 143184438 /nfs/dbraw/zinc/18/44/38/143184438.db2.gz JLDIZLPRJSTDRE-AWEZNQCLSA-N 2 2 331.464 1.183 20 0 EDADLP C[C@H]1CN(c2nccn(C3CC3)c2=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000346259197 143184439 /nfs/dbraw/zinc/18/44/39/143184439.db2.gz JLDIZLPRJSTDRE-AWEZNQCLSA-N 2 2 331.464 1.183 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000346422734 143203337 /nfs/dbraw/zinc/20/33/37/143203337.db2.gz RKZIALMNFBWDAD-DOTOQJQBSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000346422734 143203338 /nfs/dbraw/zinc/20/33/38/143203338.db2.gz RKZIALMNFBWDAD-DOTOQJQBSA-N 2 2 346.475 1.069 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000346439882 143204887 /nfs/dbraw/zinc/20/48/87/143204887.db2.gz UKZQFGIDIFKKJN-SJORKVTESA-N 2 2 328.460 1.922 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000346439882 143204888 /nfs/dbraw/zinc/20/48/88/143204888.db2.gz UKZQFGIDIFKKJN-SJORKVTESA-N 2 2 328.460 1.922 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C12CCOCC2 ZINC000346536047 143214751 /nfs/dbraw/zinc/21/47/51/143214751.db2.gz QVFNCQYUBPTECO-ARFHVFGLSA-N 2 2 328.522 1.988 20 0 EDADLP C[C@@]1(F)CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000347385852 143315439 /nfs/dbraw/zinc/31/54/39/143315439.db2.gz PJZMGJFODQNXJT-GOSISDBHSA-N 2 2 335.423 1.891 20 0 EDADLP C[C@@]1(F)CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000347385852 143315440 /nfs/dbraw/zinc/31/54/40/143315440.db2.gz PJZMGJFODQNXJT-GOSISDBHSA-N 2 2 335.423 1.891 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000347486652 143327650 /nfs/dbraw/zinc/32/76/50/143327650.db2.gz SFNYRKPMSZYQLB-ZACQAIPSSA-N 2 2 346.475 1.117 20 0 EDADLP [NH3+][C@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CCCSCC1 ZINC000347606652 143340128 /nfs/dbraw/zinc/34/01/28/143340128.db2.gz ARCMATMRRZMOAO-QGZVFWFLSA-N 2 2 344.484 1.767 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000347609522 143340592 /nfs/dbraw/zinc/34/05/92/143340592.db2.gz WHNHGQSOWHUESJ-QWFCFKBJSA-N 2 2 347.503 1.274 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000347609522 143340593 /nfs/dbraw/zinc/34/05/93/143340593.db2.gz WHNHGQSOWHUESJ-QWFCFKBJSA-N 2 2 347.503 1.274 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000347775868 143361829 /nfs/dbraw/zinc/36/18/29/143361829.db2.gz LDBRGHGFADLTLY-KRWDZBQOSA-N 2 2 347.459 1.026 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC000343584488 292197579 /nfs/dbraw/zinc/19/75/79/292197579.db2.gz VZKFHGUVPFKDEB-GOSISDBHSA-N 2 2 333.476 1.825 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC000343584488 292197580 /nfs/dbraw/zinc/19/75/80/292197580.db2.gz VZKFHGUVPFKDEB-GOSISDBHSA-N 2 2 333.476 1.825 20 0 EDADLP Cn1c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc2sc1=O ZINC000352695404 149119663 /nfs/dbraw/zinc/11/96/63/149119663.db2.gz ZJKCMSUBDGRKLA-AWEZNQCLSA-N 2 2 332.473 1.080 20 0 EDADLP COc1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1OC(F)F ZINC000352700551 149122213 /nfs/dbraw/zinc/12/22/13/149122213.db2.gz RMHQZOVIPNJUFY-AWEZNQCLSA-N 2 2 341.402 1.776 20 0 EDADLP C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000352766009 149155632 /nfs/dbraw/zinc/15/56/32/149155632.db2.gz AXNVVWOWEWNTAJ-KSZLIROESA-N 2 2 338.540 1.497 20 0 EDADLP C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000352766009 149155635 /nfs/dbraw/zinc/15/56/35/149155635.db2.gz AXNVVWOWEWNTAJ-KSZLIROESA-N 2 2 338.540 1.497 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000352829973 149184436 /nfs/dbraw/zinc/18/44/36/149184436.db2.gz RFEJINXXVDGVPR-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000352829973 149184438 /nfs/dbraw/zinc/18/44/38/149184438.db2.gz RFEJINXXVDGVPR-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000352855491 149191748 /nfs/dbraw/zinc/19/17/48/149191748.db2.gz YKUWLYRDVKDMBQ-INIZCTEOSA-N 2 2 344.459 1.698 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000353028913 149259380 /nfs/dbraw/zinc/25/93/80/149259380.db2.gz ONVOBOXKWHNFMI-KRWDZBQOSA-N 3 2 327.513 1.530 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000353028913 149259381 /nfs/dbraw/zinc/25/93/81/149259381.db2.gz ONVOBOXKWHNFMI-KRWDZBQOSA-N 3 2 327.513 1.530 20 0 EDADLP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCOCC1 ZINC000353090835 149282182 /nfs/dbraw/zinc/28/21/82/149282182.db2.gz VTEICEAUVPFPBN-ALOPSCKCSA-N 2 2 337.508 1.866 20 0 EDADLP CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCOCC1 ZINC000353090835 149282184 /nfs/dbraw/zinc/28/21/84/149282184.db2.gz VTEICEAUVPFPBN-ALOPSCKCSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000353298780 149356784 /nfs/dbraw/zinc/35/67/84/149356784.db2.gz FQAUDLSAQKFNRB-INIZCTEOSA-N 2 2 332.492 1.959 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000353298780 149356790 /nfs/dbraw/zinc/35/67/90/149356790.db2.gz FQAUDLSAQKFNRB-INIZCTEOSA-N 2 2 332.492 1.959 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)C1 ZINC000369937836 155242582 /nfs/dbraw/zinc/24/25/82/155242582.db2.gz WBVXTCSNAVVULF-JKSUJKDBSA-N 2 2 332.448 1.514 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)C1 ZINC000369937836 155242584 /nfs/dbraw/zinc/24/25/84/155242584.db2.gz WBVXTCSNAVVULF-JKSUJKDBSA-N 2 2 332.448 1.514 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000416974688 304359128 /nfs/dbraw/zinc/35/91/28/304359128.db2.gz MELYHWWHRVDCGZ-GOEBONIOSA-N 2 2 347.463 1.187 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000354870316 150003423 /nfs/dbraw/zinc/00/34/23/150003423.db2.gz UAQCINJYUJYRIG-IRXDYDNUSA-N 2 2 341.496 1.103 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354899352 150019373 /nfs/dbraw/zinc/01/93/73/150019373.db2.gz LOLRSXKFWQYSEL-QAPCUYQASA-N 2 2 347.459 1.291 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354899352 150019376 /nfs/dbraw/zinc/01/93/76/150019376.db2.gz LOLRSXKFWQYSEL-QAPCUYQASA-N 2 2 347.459 1.291 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCC[N@@H+]1C ZINC000355558596 150312980 /nfs/dbraw/zinc/31/29/80/150312980.db2.gz AXNSCSYNSRSJSZ-ZBFHGGJFSA-N 2 2 332.448 1.126 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCC[N@H+]1C ZINC000355558596 150312983 /nfs/dbraw/zinc/31/29/83/150312983.db2.gz AXNSCSYNSRSJSZ-ZBFHGGJFSA-N 2 2 332.448 1.126 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000355701476 150365438 /nfs/dbraw/zinc/36/54/38/150365438.db2.gz KGPUCWVMQZQFPG-UHFFFAOYSA-N 2 2 328.416 1.694 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)no1 ZINC000355706536 150367200 /nfs/dbraw/zinc/36/72/00/150367200.db2.gz UMDTXRKHDMFNEM-UHFFFAOYSA-N 2 2 343.431 1.526 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000357349115 151004359 /nfs/dbraw/zinc/00/43/59/151004359.db2.gz AFRUTVKVUHOTBK-HOTGVXAUSA-N 2 2 341.496 1.103 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357646033 151099393 /nfs/dbraw/zinc/09/93/93/151099393.db2.gz JRMQPVXDJSERJL-CQSZACIVSA-N 2 2 335.448 1.411 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357646033 151099394 /nfs/dbraw/zinc/09/93/94/151099394.db2.gz JRMQPVXDJSERJL-CQSZACIVSA-N 2 2 335.448 1.411 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000357665950 151108097 /nfs/dbraw/zinc/10/80/97/151108097.db2.gz MWVPICHUQWLUIQ-HZSPNIEDSA-N 2 2 335.452 1.066 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)O1 ZINC000357665950 151108098 /nfs/dbraw/zinc/10/80/98/151108098.db2.gz MWVPICHUQWLUIQ-HZSPNIEDSA-N 2 2 335.452 1.066 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)O1 ZINC000357665950 151108101 /nfs/dbraw/zinc/10/81/01/151108101.db2.gz MWVPICHUQWLUIQ-HZSPNIEDSA-N 2 2 335.452 1.066 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)O1 ZINC000357665950 151108103 /nfs/dbraw/zinc/10/81/03/151108103.db2.gz MWVPICHUQWLUIQ-HZSPNIEDSA-N 2 2 335.452 1.066 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)c1 ZINC000357719560 151124657 /nfs/dbraw/zinc/12/46/57/151124657.db2.gz AIYBQXTZJLBITK-WMZOPIPTSA-N 2 2 336.476 1.512 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)c1 ZINC000357719560 151124660 /nfs/dbraw/zinc/12/46/60/151124660.db2.gz AIYBQXTZJLBITK-WMZOPIPTSA-N 2 2 336.476 1.512 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357719636 151124795 /nfs/dbraw/zinc/12/47/95/151124795.db2.gz BZGDAORLSIXUPP-CQSZACIVSA-N 2 2 348.447 1.112 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357719636 151124797 /nfs/dbraw/zinc/12/47/97/151124797.db2.gz BZGDAORLSIXUPP-CQSZACIVSA-N 2 2 348.447 1.112 20 0 EDADLP COc1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)ccc1OCC(=O)N(C)C ZINC000358007022 151232596 /nfs/dbraw/zinc/23/25/96/151232596.db2.gz QWCZBSNOMMYPMQ-DZGCQCFKSA-N 2 2 335.448 1.202 20 0 EDADLP COc1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCC(=O)N(C)C ZINC000358007022 151232598 /nfs/dbraw/zinc/23/25/98/151232598.db2.gz QWCZBSNOMMYPMQ-DZGCQCFKSA-N 2 2 335.448 1.202 20 0 EDADLP O=C(NCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccco1 ZINC000358058615 151251546 /nfs/dbraw/zinc/25/15/46/151251546.db2.gz HQVGBHJLMMSYJN-UHFFFAOYSA-N 2 2 328.416 1.659 20 0 EDADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358152851 151289357 /nfs/dbraw/zinc/28/93/57/151289357.db2.gz LBQMQDZKXONLJH-FGTMMUONSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@H](CCN1CCOCC1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000358168901 151294212 /nfs/dbraw/zinc/29/42/12/151294212.db2.gz OFACTCRAFKRKCA-GGPKGHCWSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@H](CCN1CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000358168901 151294213 /nfs/dbraw/zinc/29/42/13/151294213.db2.gz OFACTCRAFKRKCA-GGPKGHCWSA-N 2 2 346.519 1.992 20 0 EDADLP NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000573824324 306636270 /nfs/dbraw/zinc/63/62/70/306636270.db2.gz STXSNYZUFRKYSF-IXDOHACOSA-N 2 2 335.423 1.570 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000358299987 151330486 /nfs/dbraw/zinc/33/04/86/151330486.db2.gz KZWKDDOFRPJJPR-UHFFFAOYSA-N 2 2 348.495 1.123 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000370108669 155326862 /nfs/dbraw/zinc/32/68/62/155326862.db2.gz AXCINKUVJOJDRZ-HNNXBMFYSA-N 2 2 333.480 1.745 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000370108669 155326863 /nfs/dbraw/zinc/32/68/63/155326863.db2.gz AXCINKUVJOJDRZ-HNNXBMFYSA-N 2 2 333.480 1.745 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)c1ccsc1 ZINC000360501210 152070614 /nfs/dbraw/zinc/07/06/14/152070614.db2.gz XKPWHRPCJRYFNL-HNNXBMFYSA-N 2 2 337.489 1.722 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360545733 152089351 /nfs/dbraw/zinc/08/93/51/152089351.db2.gz MGDOJBYUTMYXDC-FQEVSTJZSA-N 3 2 342.487 1.016 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360545733 152089353 /nfs/dbraw/zinc/08/93/53/152089353.db2.gz MGDOJBYUTMYXDC-FQEVSTJZSA-N 3 2 342.487 1.016 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360552879 152091879 /nfs/dbraw/zinc/09/18/79/152091879.db2.gz PNWFGADMTKQAIQ-HXUWFJFHSA-N 2 2 345.487 1.913 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360552879 152091881 /nfs/dbraw/zinc/09/18/81/152091881.db2.gz PNWFGADMTKQAIQ-HXUWFJFHSA-N 2 2 345.487 1.913 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ccccc2F)CC1 ZINC000360551279 152092642 /nfs/dbraw/zinc/09/26/42/152092642.db2.gz LINYFXLTZHUDHV-LJQANCHMSA-N 2 2 346.450 1.160 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ccccc2F)CC1 ZINC000360551279 152092646 /nfs/dbraw/zinc/09/26/46/152092646.db2.gz LINYFXLTZHUDHV-LJQANCHMSA-N 2 2 346.450 1.160 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360560604 152095663 /nfs/dbraw/zinc/09/56/63/152095663.db2.gz FYUOLJPBSGVEAP-FZKQIMNGSA-N 2 2 337.414 1.697 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360560604 152095667 /nfs/dbraw/zinc/09/56/67/152095667.db2.gz FYUOLJPBSGVEAP-FZKQIMNGSA-N 2 2 337.414 1.697 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360560606 152096117 /nfs/dbraw/zinc/09/61/17/152096117.db2.gz FYUOLJPBSGVEAP-UGSOOPFHSA-N 2 2 337.414 1.697 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360560606 152096120 /nfs/dbraw/zinc/09/61/20/152096120.db2.gz FYUOLJPBSGVEAP-UGSOOPFHSA-N 2 2 337.414 1.697 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000360565608 152098216 /nfs/dbraw/zinc/09/82/16/152098216.db2.gz VHJARCZGFZRRBK-IEBWSBKVSA-N 2 2 347.434 1.411 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000360565608 152098217 /nfs/dbraw/zinc/09/82/17/152098217.db2.gz VHJARCZGFZRRBK-IEBWSBKVSA-N 2 2 347.434 1.411 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(OC(F)F)cc1 ZINC000360572307 152103948 /nfs/dbraw/zinc/10/39/48/152103948.db2.gz XHSRHIABMHWEDM-MRXNPFEDSA-N 2 2 325.359 1.912 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(OC(F)F)cc1 ZINC000360572307 152103949 /nfs/dbraw/zinc/10/39/49/152103949.db2.gz XHSRHIABMHWEDM-MRXNPFEDSA-N 2 2 325.359 1.912 20 0 EDADLP CCn1nc(C(C)C)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360896952 152244603 /nfs/dbraw/zinc/24/46/03/152244603.db2.gz JPSCSFUNMSARNV-UHFFFAOYSA-N 2 2 335.496 1.782 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000360955798 152263489 /nfs/dbraw/zinc/26/34/89/152263489.db2.gz SQYZBSINYCQLHN-CYBMUJFWSA-N 2 2 326.359 1.307 20 0 EDADLP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361118580 152310609 /nfs/dbraw/zinc/31/06/09/152310609.db2.gz WCEAURJDZXMRGS-JKSUJKDBSA-N 2 2 328.453 1.188 20 0 EDADLP Cc1ccncc1C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000361427757 152392141 /nfs/dbraw/zinc/39/21/41/152392141.db2.gz WSBCVSUOVVSANM-GOSISDBHSA-N 2 2 348.491 1.295 20 0 EDADLP Cc1ccncc1C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000361427757 152392142 /nfs/dbraw/zinc/39/21/42/152392142.db2.gz WSBCVSUOVVSANM-GOSISDBHSA-N 2 2 348.491 1.295 20 0 EDADLP Cc1ccncc1C[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000361427757 152392145 /nfs/dbraw/zinc/39/21/45/152392145.db2.gz WSBCVSUOVVSANM-GOSISDBHSA-N 2 2 348.491 1.295 20 0 EDADLP Cc1ccncc1C[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000361427757 152392146 /nfs/dbraw/zinc/39/21/46/152392146.db2.gz WSBCVSUOVVSANM-GOSISDBHSA-N 2 2 348.491 1.295 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000363702309 153034691 /nfs/dbraw/zinc/03/46/91/153034691.db2.gz BHYPAZAMLUXYGF-QCSYZSNVSA-N 2 2 349.450 1.831 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000363702309 153034693 /nfs/dbraw/zinc/03/46/93/153034693.db2.gz BHYPAZAMLUXYGF-QCSYZSNVSA-N 2 2 349.450 1.831 20 0 EDADLP Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363905323 153091900 /nfs/dbraw/zinc/09/19/00/153091900.db2.gz NYXYRQJDDZLZAQ-OAHLLOKOSA-N 2 2 344.459 1.218 20 0 EDADLP Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363905323 153091903 /nfs/dbraw/zinc/09/19/03/153091903.db2.gz NYXYRQJDDZLZAQ-OAHLLOKOSA-N 2 2 344.459 1.218 20 0 EDADLP c1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000364006104 153119834 /nfs/dbraw/zinc/11/98/34/153119834.db2.gz YIRNGBNVBOKNBT-NVXWUHKLSA-N 2 2 343.475 1.766 20 0 EDADLP c1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000364006104 153119836 /nfs/dbraw/zinc/11/98/36/153119836.db2.gz YIRNGBNVBOKNBT-NVXWUHKLSA-N 2 2 343.475 1.766 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)C(=O)C1 ZINC000364099272 153143991 /nfs/dbraw/zinc/14/39/91/153143991.db2.gz FIVFUOMSKLMNMP-UHFFFAOYSA-N 2 2 341.455 1.701 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)C(=O)C1 ZINC000364099272 153143993 /nfs/dbraw/zinc/14/39/93/153143993.db2.gz FIVFUOMSKLMNMP-UHFFFAOYSA-N 2 2 341.455 1.701 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000364272503 153193323 /nfs/dbraw/zinc/19/33/23/153193323.db2.gz QWPMEXBRONNCJJ-MRXNPFEDSA-N 2 2 332.448 1.016 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000364738715 153319796 /nfs/dbraw/zinc/31/97/96/153319796.db2.gz XDBIPYALOSPKQL-UHFFFAOYSA-N 2 2 340.431 1.371 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC000364994077 153393210 /nfs/dbraw/zinc/39/32/10/153393210.db2.gz KIEJVUKDJVPRRN-LJQANCHMSA-N 2 2 333.476 1.017 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC000364994077 153393215 /nfs/dbraw/zinc/39/32/15/153393215.db2.gz KIEJVUKDJVPRRN-LJQANCHMSA-N 2 2 333.476 1.017 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000367414728 154112026 /nfs/dbraw/zinc/11/20/26/154112026.db2.gz GTGMCIQXFZGXSP-CQSZACIVSA-N 2 2 340.431 1.693 20 0 EDADLP CC(C)C(C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)C(C)C ZINC000367428191 154117008 /nfs/dbraw/zinc/11/70/08/154117008.db2.gz CLXOFZHTQLDVBB-GOSISDBHSA-N 2 2 339.524 1.827 20 0 EDADLP CCCCOCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367448418 154125510 /nfs/dbraw/zinc/12/55/10/154125510.db2.gz NLQIKNDJCFTBJH-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CCCCOCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367448418 154125512 /nfs/dbraw/zinc/12/55/12/154125512.db2.gz NLQIKNDJCFTBJH-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP COc1ccc(O)c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000367453791 154128859 /nfs/dbraw/zinc/12/88/59/154128859.db2.gz GVAAMIHILSTBSC-CQSZACIVSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(O)c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000367453791 154128862 /nfs/dbraw/zinc/12/88/62/154128862.db2.gz GVAAMIHILSTBSC-CQSZACIVSA-N 2 2 347.459 1.641 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCS(=O)(=O)N(C)C)[nH+]1 ZINC000367554068 154172937 /nfs/dbraw/zinc/17/29/37/154172937.db2.gz RTUVCQCWBIVYIR-AWEZNQCLSA-N 2 2 326.466 1.158 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCS(=O)(=O)N(C)C)[nH+]1 ZINC000367554068 154172939 /nfs/dbraw/zinc/17/29/39/154172939.db2.gz RTUVCQCWBIVYIR-AWEZNQCLSA-N 2 2 326.466 1.158 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599052 155104130 /nfs/dbraw/zinc/10/41/30/155104130.db2.gz GRTHEPZZSWVKPP-BHIYHBOVSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599052 155104132 /nfs/dbraw/zinc/10/41/32/155104132.db2.gz GRTHEPZZSWVKPP-BHIYHBOVSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599052 155104134 /nfs/dbraw/zinc/10/41/34/155104134.db2.gz GRTHEPZZSWVKPP-BHIYHBOVSA-N 2 2 343.471 1.598 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599052 155104136 /nfs/dbraw/zinc/10/41/36/155104136.db2.gz GRTHEPZZSWVKPP-BHIYHBOVSA-N 2 2 343.471 1.598 20 0 EDADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n(C)n1 ZINC000369649964 155121073 /nfs/dbraw/zinc/12/10/73/155121073.db2.gz SWDWDSFUFOKCBK-UHFFFAOYSA-N 2 2 333.480 1.409 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC1CCOCC1 ZINC000371568983 156008203 /nfs/dbraw/zinc/00/82/03/156008203.db2.gz BNFQIKQCHNAMLZ-QGZVFWFLSA-N 2 2 337.508 1.870 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC1CCOCC1 ZINC000371568983 156008206 /nfs/dbraw/zinc/00/82/06/156008206.db2.gz BNFQIKQCHNAMLZ-QGZVFWFLSA-N 2 2 337.508 1.870 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3CCCOC3)CC2)CC1 ZINC000371639591 156043843 /nfs/dbraw/zinc/04/38/43/156043843.db2.gz YKYLXCDNYCITOB-WMZOPIPTSA-N 2 2 337.508 1.678 20 0 EDADLP CC(C)n1ccnc1C[N@@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000371706035 156070876 /nfs/dbraw/zinc/07/08/76/156070876.db2.gz HAVKDKUGHBVFOG-FNORWQNLSA-N 2 2 333.480 1.616 20 0 EDADLP CC(C)n1ccnc1C[N@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000371706035 156070877 /nfs/dbraw/zinc/07/08/77/156070877.db2.gz HAVKDKUGHBVFOG-FNORWQNLSA-N 2 2 333.480 1.616 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000371706035 156070881 /nfs/dbraw/zinc/07/08/81/156070881.db2.gz HAVKDKUGHBVFOG-FNORWQNLSA-N 2 2 333.480 1.616 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000372282989 156311948 /nfs/dbraw/zinc/31/19/48/156311948.db2.gz URSSGQQFZOMROU-DZGCQCFKSA-N 2 2 330.436 1.760 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000374020723 157111079 /nfs/dbraw/zinc/11/10/79/157111079.db2.gz AYRWOBIZQVHWKW-SJORKVTESA-N 2 2 326.400 1.270 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000374020723 157111081 /nfs/dbraw/zinc/11/10/81/157111081.db2.gz AYRWOBIZQVHWKW-SJORKVTESA-N 2 2 326.400 1.270 20 0 EDADLP C[NH+]1CCC2(CCC[N@H+](Cc3nnnn3CC3CCOCC3)C2)CC1 ZINC000374074141 157132062 /nfs/dbraw/zinc/13/20/62/157132062.db2.gz IFNHDOUZZNWXDK-UHFFFAOYSA-N 2 2 348.495 1.408 20 0 EDADLP C[NH+]1CCC2(CCC[N@@H+](Cc3nnnn3CC3CCOCC3)C2)CC1 ZINC000374074141 157132068 /nfs/dbraw/zinc/13/20/68/157132068.db2.gz IFNHDOUZZNWXDK-UHFFFAOYSA-N 2 2 348.495 1.408 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000374471936 157301910 /nfs/dbraw/zinc/30/19/10/157301910.db2.gz OCPWZELQAOZQIH-OAHLLOKOSA-N 2 2 340.512 1.253 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000374471936 157301912 /nfs/dbraw/zinc/30/19/12/157301912.db2.gz OCPWZELQAOZQIH-OAHLLOKOSA-N 2 2 340.512 1.253 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)[C@@H]2CCCCN12 ZINC000374506469 157311293 /nfs/dbraw/zinc/31/12/93/157311293.db2.gz PZCPYRZZYUTTEX-ROUUACIJSA-N 2 2 328.460 1.789 20 0 EDADLP COCCN(C)c1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000377826660 158001613 /nfs/dbraw/zinc/00/16/13/158001613.db2.gz OTNLGJSTQYOWFB-INIZCTEOSA-N 2 2 329.448 1.887 20 0 EDADLP COCCN(C)c1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cn1 ZINC000377826660 158001615 /nfs/dbraw/zinc/00/16/15/158001615.db2.gz OTNLGJSTQYOWFB-INIZCTEOSA-N 2 2 329.448 1.887 20 0 EDADLP Cn1cc[nH+]c1CN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377933139 158032536 /nfs/dbraw/zinc/03/25/36/158032536.db2.gz QARQFGKPWNWGSU-UHFFFAOYSA-N 2 2 331.464 1.083 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)nc[nH+]1 ZINC000377982459 158047232 /nfs/dbraw/zinc/04/72/32/158047232.db2.gz ILYLKTUOMPKKKY-GJZGRUSLSA-N 2 2 331.464 1.600 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nc[nH+]1 ZINC000377982459 158047234 /nfs/dbraw/zinc/04/72/34/158047234.db2.gz ILYLKTUOMPKKKY-GJZGRUSLSA-N 2 2 331.464 1.600 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CCCOc3ccc(F)cc3)CC2)C(=O)C1 ZINC000378602001 158217450 /nfs/dbraw/zinc/21/74/50/158217450.db2.gz VWZFWTGCYZQWMN-UHFFFAOYSA-N 2 2 349.450 1.833 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CCCOc3ccc(F)cc3)CC2)C(=O)C1 ZINC000378602001 158217452 /nfs/dbraw/zinc/21/74/52/158217452.db2.gz VWZFWTGCYZQWMN-UHFFFAOYSA-N 2 2 349.450 1.833 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000417918840 304430952 /nfs/dbraw/zinc/43/09/52/304430952.db2.gz PFQPLEDWRWLRRO-QGZVFWFLSA-N 2 2 341.459 1.974 20 0 EDADLP CCOCC[N@@H+]1CCN(S(=O)(=O)CC[NH+](CC)CC)C[C@H]1CC ZINC000352274182 162087082 /nfs/dbraw/zinc/08/70/82/162087082.db2.gz DRTNMGMGSSPCAP-MRXNPFEDSA-N 2 2 349.541 1.091 20 0 EDADLP CCOCC[N@H+]1CCN(S(=O)(=O)CC[NH+](CC)CC)C[C@H]1CC ZINC000352274182 162087085 /nfs/dbraw/zinc/08/70/85/162087085.db2.gz DRTNMGMGSSPCAP-MRXNPFEDSA-N 2 2 349.541 1.091 20 0 EDADLP COC[C@H]1C[C@@H](OC)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352353503 162135629 /nfs/dbraw/zinc/13/56/29/162135629.db2.gz YFGHVFQYMRYNMG-WOJBJXKFSA-N 2 2 347.503 1.934 20 0 EDADLP COC[C@H]1C[C@@H](OC)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352353503 162135631 /nfs/dbraw/zinc/13/56/31/162135631.db2.gz YFGHVFQYMRYNMG-WOJBJXKFSA-N 2 2 347.503 1.934 20 0 EDADLP COCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000352412628 162170041 /nfs/dbraw/zinc/17/00/41/162170041.db2.gz HINHGMHGIUIEAT-HXUWFJFHSA-N 2 2 347.503 1.936 20 0 EDADLP COCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000352412628 162170043 /nfs/dbraw/zinc/17/00/43/162170043.db2.gz HINHGMHGIUIEAT-HXUWFJFHSA-N 2 2 347.503 1.936 20 0 EDADLP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000352488301 162208658 /nfs/dbraw/zinc/20/86/58/162208658.db2.gz OMOWWIMQYWKYGG-PKOBYXMFSA-N 2 2 344.503 1.460 20 0 EDADLP CNC(=O)[C@H](CCSC)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000352504041 162217507 /nfs/dbraw/zinc/21/75/07/162217507.db2.gz MNKQCDAQMUNZOT-INIZCTEOSA-N 2 2 336.505 1.503 20 0 EDADLP c1nc(-c2ccncc2)sc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352535302 162237759 /nfs/dbraw/zinc/23/77/59/162237759.db2.gz OVGYRTBZUJALBQ-HNNXBMFYSA-N 2 2 329.473 1.685 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)c1coc(C[NH3+])c1)c1[nH+]ccn1C ZINC000364217953 162321629 /nfs/dbraw/zinc/32/16/29/162321629.db2.gz HAESBPAPUNMELY-MRXNPFEDSA-N 2 2 340.383 2.000 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366569513 162396212 /nfs/dbraw/zinc/39/62/12/162396212.db2.gz OHADIGPDOIIATA-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366569513 162396217 /nfs/dbraw/zinc/39/62/17/162396217.db2.gz OHADIGPDOIIATA-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000333303219 299000560 /nfs/dbraw/zinc/00/05/60/299000560.db2.gz QJTLDRLDXMOQMW-ARFHVFGLSA-N 3 2 327.538 1.690 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122415249 287380277 /nfs/dbraw/zinc/38/02/77/287380277.db2.gz ZJUUTBZJMIIFDL-ILXRZTDVSA-N 2 2 326.485 1.268 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122415249 287380278 /nfs/dbraw/zinc/38/02/78/287380278.db2.gz ZJUUTBZJMIIFDL-ILXRZTDVSA-N 2 2 326.485 1.268 20 0 EDADLP CN(C)S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167073975 226179146 /nfs/dbraw/zinc/17/91/46/226179146.db2.gz SNBJJBFXQVBHDY-HOTGVXAUSA-N 2 2 346.541 1.062 20 0 EDADLP CN(C)S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167073975 226179150 /nfs/dbraw/zinc/17/91/50/226179150.db2.gz SNBJJBFXQVBHDY-HOTGVXAUSA-N 2 2 346.541 1.062 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000122427411 222085072 /nfs/dbraw/zinc/08/50/72/222085072.db2.gz GNNANJVDUCZMLQ-LSDHHAIUSA-N 2 2 329.448 1.444 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000122427411 222085075 /nfs/dbraw/zinc/08/50/75/222085075.db2.gz GNNANJVDUCZMLQ-LSDHHAIUSA-N 2 2 329.448 1.444 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000123036130 222204702 /nfs/dbraw/zinc/20/47/02/222204702.db2.gz TVIVWRMOUDDSEK-GDBMZVCRSA-N 2 2 349.475 1.735 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000123036130 222204707 /nfs/dbraw/zinc/20/47/07/222204707.db2.gz TVIVWRMOUDDSEK-GDBMZVCRSA-N 2 2 349.475 1.735 20 0 EDADLP COc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123036130 222204709 /nfs/dbraw/zinc/20/47/09/222204709.db2.gz TVIVWRMOUDDSEK-GDBMZVCRSA-N 2 2 349.475 1.735 20 0 EDADLP COc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000123036130 222204713 /nfs/dbraw/zinc/20/47/13/222204713.db2.gz TVIVWRMOUDDSEK-GDBMZVCRSA-N 2 2 349.475 1.735 20 0 EDADLP CCOCCOCC[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000276116547 273149757 /nfs/dbraw/zinc/14/97/57/273149757.db2.gz AOJZZQJJCPIDLT-QGZVFWFLSA-N 2 2 349.475 1.999 20 0 EDADLP CCOCCOCC[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000276116547 273149758 /nfs/dbraw/zinc/14/97/58/273149758.db2.gz AOJZZQJJCPIDLT-QGZVFWFLSA-N 2 2 349.475 1.999 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)NCCCn1cc[nH+]c1 ZINC000194600916 273004054 /nfs/dbraw/zinc/00/40/54/273004054.db2.gz HEPRGNIWVMBAHY-UHFFFAOYSA-N 2 2 345.447 1.713 20 0 EDADLP [NH3+][C@@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000238047753 273013956 /nfs/dbraw/zinc/01/39/56/273013956.db2.gz JBWBEFSVEPVRSA-IBGZPJMESA-N 2 2 339.439 1.949 20 0 EDADLP c1c(Cc2noc(CCCC[NH+]3CCOCC3)n2)[nH+]c2ccccn12 ZINC000273709572 268075757 /nfs/dbraw/zinc/07/57/57/268075757.db2.gz KWSFCMWYWJYDDR-UHFFFAOYSA-N 2 2 341.415 1.963 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274849624 268222452 /nfs/dbraw/zinc/22/24/52/268222452.db2.gz QUPZWXIMTOOAES-DZKIICNBSA-N 2 2 332.448 1.331 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274849624 268222455 /nfs/dbraw/zinc/22/24/55/268222455.db2.gz QUPZWXIMTOOAES-DZKIICNBSA-N 2 2 332.448 1.331 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3CCc4[nH+]ccn4C3)cn2c1 ZINC000275432907 268341874 /nfs/dbraw/zinc/34/18/74/268341874.db2.gz PRKBKNCSCWVMEY-AWEZNQCLSA-N 2 2 338.415 1.901 20 0 EDADLP CC1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1O ZINC000275523530 268354536 /nfs/dbraw/zinc/35/45/36/268354536.db2.gz VRLKAQGTVPJUFM-INIZCTEOSA-N 2 2 346.475 1.213 20 0 EDADLP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1O ZINC000275523530 268354538 /nfs/dbraw/zinc/35/45/38/268354538.db2.gz VRLKAQGTVPJUFM-INIZCTEOSA-N 2 2 346.475 1.213 20 0 EDADLP CC1CC[NH+](CC(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)CC1 ZINC000275592101 268364426 /nfs/dbraw/zinc/36/44/26/268364426.db2.gz KIGCXOBQEZKCAC-MRXNPFEDSA-N 2 2 346.475 1.859 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275749624 268372410 /nfs/dbraw/zinc/37/24/10/268372410.db2.gz WCGGOYIPVBIXBA-CVEARBPZSA-N 2 2 344.459 1.756 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275749624 268372411 /nfs/dbraw/zinc/37/24/11/268372411.db2.gz WCGGOYIPVBIXBA-CVEARBPZSA-N 2 2 344.459 1.756 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274885428 273098601 /nfs/dbraw/zinc/09/86/01/273098601.db2.gz IICYGJSOVJQSHA-CGTJXYLNSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274885428 273098603 /nfs/dbraw/zinc/09/86/03/273098603.db2.gz IICYGJSOVJQSHA-CGTJXYLNSA-N 2 2 336.501 1.921 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000275736777 273124038 /nfs/dbraw/zinc/12/40/38/273124038.db2.gz VENZWKXCKGHPIR-OAHLLOKOSA-N 2 2 332.448 1.469 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1ccccn1)[C@H]1CC12CC[NH2+]CC2 ZINC000275770719 273127197 /nfs/dbraw/zinc/12/71/97/273127197.db2.gz SDFWQZWMLVGJPF-HNNXBMFYSA-N 2 2 325.416 1.600 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)CCCO1 ZINC000277366163 273193378 /nfs/dbraw/zinc/19/33/78/273193378.db2.gz ISCSIHOXQYWWRG-OAHLLOKOSA-N 2 2 345.447 1.634 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)CCCO1 ZINC000277366163 273193379 /nfs/dbraw/zinc/19/33/79/273193379.db2.gz ISCSIHOXQYWWRG-OAHLLOKOSA-N 2 2 345.447 1.634 20 0 EDADLP CC(C)n1nccc1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279810906 273329081 /nfs/dbraw/zinc/32/90/81/273329081.db2.gz FJTYXPLBSCYKQV-HOCLYGCPSA-N 2 2 334.443 1.900 20 0 EDADLP CCC[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000280592738 273375344 /nfs/dbraw/zinc/37/53/44/273375344.db2.gz BOQZGKWDRXUVHC-QRVBRYPASA-N 2 2 345.487 1.829 20 0 EDADLP CCC[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000280592738 273375346 /nfs/dbraw/zinc/37/53/46/273375346.db2.gz BOQZGKWDRXUVHC-QRVBRYPASA-N 2 2 345.487 1.829 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@](C)(C(N)=O)C3)c2cc1C ZINC000280737166 273392241 /nfs/dbraw/zinc/39/22/41/273392241.db2.gz LXVOBKPPALKFJR-KBXCAEBGSA-N 2 2 330.432 1.211 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@](C)(C(N)=O)C3)c2cc1C ZINC000280737166 273392242 /nfs/dbraw/zinc/39/22/42/273392242.db2.gz LXVOBKPPALKFJR-KBXCAEBGSA-N 2 2 330.432 1.211 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000280797662 273399680 /nfs/dbraw/zinc/39/96/80/273399680.db2.gz RUJNQNHSJIRNHQ-KSZLIROESA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000280797662 273399681 /nfs/dbraw/zinc/39/96/81/273399681.db2.gz RUJNQNHSJIRNHQ-KSZLIROESA-N 2 2 331.460 1.438 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3cncs3)CC2)CC1 ZINC000282482476 273660683 /nfs/dbraw/zinc/66/06/83/273660683.db2.gz SWZQOBOTNPJRGF-NSCUHMNNSA-N 2 2 334.489 1.831 20 0 EDADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000283016026 273759246 /nfs/dbraw/zinc/75/92/46/273759246.db2.gz PBYBLQZAKYPBFQ-MRXNPFEDSA-N 2 2 341.463 1.129 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000284260355 274137172 /nfs/dbraw/zinc/13/71/72/274137172.db2.gz RVBJVGWGDYNGTJ-INIZCTEOSA-N 2 2 328.464 1.560 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000284260355 274137173 /nfs/dbraw/zinc/13/71/73/274137173.db2.gz RVBJVGWGDYNGTJ-INIZCTEOSA-N 2 2 328.464 1.560 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000284441352 274203616 /nfs/dbraw/zinc/20/36/16/274203616.db2.gz FPJKQNKSQHCHAJ-CXAGYDPISA-N 2 2 342.399 1.301 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(NC(N)=O)cc3)C2)CC1 ZINC000369277528 277027894 /nfs/dbraw/zinc/02/78/94/277027894.db2.gz MCMXCUIIQDNRGJ-OAHLLOKOSA-N 2 2 345.447 1.076 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(NC(N)=O)cc3)C2)CC1 ZINC000369277528 277027895 /nfs/dbraw/zinc/02/78/95/277027895.db2.gz MCMXCUIIQDNRGJ-OAHLLOKOSA-N 2 2 345.447 1.076 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4ccccn4c3)C2)CC1 ZINC000369928601 277027933 /nfs/dbraw/zinc/02/79/33/277027933.db2.gz QZAWFEMEGQARCS-MRXNPFEDSA-N 2 2 326.444 1.838 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4ccccn4c3)C2)CC1 ZINC000369928601 277027935 /nfs/dbraw/zinc/02/79/35/277027935.db2.gz QZAWFEMEGQARCS-MRXNPFEDSA-N 2 2 326.444 1.838 20 0 EDADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420351232 277115077 /nfs/dbraw/zinc/11/50/77/277115077.db2.gz WGBUDJUZBCTXGA-RDTXWAMCSA-N 2 2 344.459 1.196 20 0 EDADLP CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420351232 277115079 /nfs/dbraw/zinc/11/50/79/277115079.db2.gz WGBUDJUZBCTXGA-RDTXWAMCSA-N 2 2 344.459 1.196 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)C[C@@H]21 ZINC000341544535 277120433 /nfs/dbraw/zinc/12/04/33/277120433.db2.gz CYVWNWAXQXVRNR-HYVNUMGLSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)C[C@@H]21 ZINC000341544535 277120434 /nfs/dbraw/zinc/12/04/34/277120434.db2.gz CYVWNWAXQXVRNR-HYVNUMGLSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)C[C@@H]21 ZINC000341544535 277120435 /nfs/dbraw/zinc/12/04/35/277120435.db2.gz CYVWNWAXQXVRNR-HYVNUMGLSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)C[C@@H]21 ZINC000341544535 277120436 /nfs/dbraw/zinc/12/04/36/277120436.db2.gz CYVWNWAXQXVRNR-HYVNUMGLSA-N 2 2 336.480 1.118 20 0 EDADLP CO[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000369739209 277290125 /nfs/dbraw/zinc/29/01/25/277290125.db2.gz ODICIWBBAYDKPH-YQQAZPJKSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@@H](C)C1 ZINC000369739209 277290128 /nfs/dbraw/zinc/29/01/28/277290128.db2.gz ODICIWBBAYDKPH-YQQAZPJKSA-N 2 2 338.496 1.364 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(C(N)=O)c2)nc[nH+]1 ZINC000075128729 277302080 /nfs/dbraw/zinc/30/20/80/277302080.db2.gz KGSZAVPQDLAURD-OAHLLOKOSA-N 2 2 340.431 1.376 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[NH+]1CCOCC1 ZINC000342689285 278987820 /nfs/dbraw/zinc/98/78/20/278987820.db2.gz DLEHOWQELSVUMS-KBPBESRZSA-N 2 2 333.423 1.094 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496072242 279037759 /nfs/dbraw/zinc/03/77/59/279037759.db2.gz RGQXZDDOCBXZIM-HRCADAONSA-N 2 2 341.496 1.630 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496072242 279037760 /nfs/dbraw/zinc/03/77/60/279037760.db2.gz RGQXZDDOCBXZIM-HRCADAONSA-N 2 2 341.496 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496072242 279037761 /nfs/dbraw/zinc/03/77/61/279037761.db2.gz RGQXZDDOCBXZIM-HRCADAONSA-N 2 2 341.496 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000496072242 279037763 /nfs/dbraw/zinc/03/77/63/279037763.db2.gz RGQXZDDOCBXZIM-HRCADAONSA-N 2 2 341.496 1.630 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367904255 279097673 /nfs/dbraw/zinc/09/76/73/279097673.db2.gz PKPMVHJNHZBGCV-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804132 279187897 /nfs/dbraw/zinc/18/78/97/279187897.db2.gz MNYBYSHQJQIBBF-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804132 279187900 /nfs/dbraw/zinc/18/79/00/279187900.db2.gz MNYBYSHQJQIBBF-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360562697 279236185 /nfs/dbraw/zinc/23/61/85/279236185.db2.gz MZLUNWOWVXEGCH-AUUYWEPGSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360562697 279236186 /nfs/dbraw/zinc/23/61/86/279236186.db2.gz MZLUNWOWVXEGCH-AUUYWEPGSA-N 2 2 345.443 1.860 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c[nH+]1 ZINC000333642218 280385873 /nfs/dbraw/zinc/38/58/73/280385873.db2.gz IYYZTFKRWIRSQZ-QGZVFWFLSA-N 2 2 346.475 1.952 20 0 EDADLP COc1ccncc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000287477457 288246865 /nfs/dbraw/zinc/24/68/65/288246865.db2.gz WVWOQAYWTMIRDK-GOSISDBHSA-N 2 2 348.491 1.317 20 0 EDADLP COc1ccncc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000287477457 288246866 /nfs/dbraw/zinc/24/68/66/288246866.db2.gz WVWOQAYWTMIRDK-GOSISDBHSA-N 2 2 348.491 1.317 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC000287554349 288264304 /nfs/dbraw/zinc/26/43/04/288264304.db2.gz KOBZSEKGTXGTOJ-UHFFFAOYSA-N 2 2 344.463 1.683 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)CCc3[nH]cc[nH+]3)CC2)cn1 ZINC000287554349 288264305 /nfs/dbraw/zinc/26/43/05/288264305.db2.gz KOBZSEKGTXGTOJ-UHFFFAOYSA-N 2 2 344.463 1.683 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+][C@@H]3C)c[nH+]2)CCO1 ZINC000289597423 288739459 /nfs/dbraw/zinc/73/94/59/288739459.db2.gz ABXCWPIFDLXOFW-IIAWOOMASA-N 2 2 332.448 1.311 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000290227154 288861797 /nfs/dbraw/zinc/86/17/97/288861797.db2.gz RJWQDHUYDHAFRU-UWWQBHOKSA-N 2 2 346.475 1.557 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291178848 289013176 /nfs/dbraw/zinc/01/31/76/289013176.db2.gz HFJKDKNKQXLUJJ-INIZCTEOSA-N 2 2 327.432 1.581 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CCN1C ZINC000366026183 289226088 /nfs/dbraw/zinc/22/60/88/289226088.db2.gz YPCSVSHOBWQDDE-KRWDZBQOSA-N 2 2 341.459 1.611 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292116462 289265294 /nfs/dbraw/zinc/26/52/94/289265294.db2.gz JSCXUPGGIDBEIU-KXBFYZLASA-N 2 2 331.460 1.900 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292116462 289265296 /nfs/dbraw/zinc/26/52/96/289265296.db2.gz JSCXUPGGIDBEIU-KXBFYZLASA-N 2 2 331.460 1.900 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292116462 289265298 /nfs/dbraw/zinc/26/52/98/289265298.db2.gz JSCXUPGGIDBEIU-KXBFYZLASA-N 2 2 331.460 1.900 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292116462 289265301 /nfs/dbraw/zinc/26/53/01/289265301.db2.gz JSCXUPGGIDBEIU-KXBFYZLASA-N 2 2 331.460 1.900 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000292174111 289281275 /nfs/dbraw/zinc/28/12/75/289281275.db2.gz WGZMJRVCYZJZFK-MOPGFXCFSA-N 2 2 345.487 1.578 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292287530 289306944 /nfs/dbraw/zinc/30/69/44/289306944.db2.gz VBUBFCYWWYMGSZ-QAPCUYQASA-N 2 2 333.476 1.886 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000292388574 289333177 /nfs/dbraw/zinc/33/31/77/289333177.db2.gz IDTYZSDADLSPRI-LJQANCHMSA-N 2 2 342.487 1.288 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000292388574 289333181 /nfs/dbraw/zinc/33/31/81/289333181.db2.gz IDTYZSDADLSPRI-LJQANCHMSA-N 2 2 342.487 1.288 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000293226695 289555129 /nfs/dbraw/zinc/55/51/29/289555129.db2.gz KJERYBGSUKXYSL-QGZVFWFLSA-N 2 2 341.883 1.579 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cnc4cnccn34)C2)CC1 ZINC000377706085 447306302 /nfs/dbraw/zinc/30/63/02/447306302.db2.gz TUGVVPWGQLKWIR-MRXNPFEDSA-N 2 2 328.464 1.331 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cnc4cnccn34)C2)CC1 ZINC000377706085 447306309 /nfs/dbraw/zinc/30/63/09/447306309.db2.gz TUGVVPWGQLKWIR-MRXNPFEDSA-N 2 2 328.464 1.331 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418694847 304529083 /nfs/dbraw/zinc/52/90/83/304529083.db2.gz KXGPHCCJWRLFOJ-LSDHHAIUSA-N 2 2 349.479 1.828 20 0 EDADLP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2COCC[N@@H+]2CC)c1 ZINC000372837021 447308337 /nfs/dbraw/zinc/30/83/37/447308337.db2.gz LEJRYXVZPQVXIY-GOSISDBHSA-N 2 2 333.476 1.865 20 0 EDADLP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2COCC[N@H+]2CC)c1 ZINC000372837021 447308340 /nfs/dbraw/zinc/30/83/40/447308340.db2.gz LEJRYXVZPQVXIY-GOSISDBHSA-N 2 2 333.476 1.865 20 0 EDADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424305007 298140751 /nfs/dbraw/zinc/14/07/51/298140751.db2.gz RQTORMKDBNIEDL-GDBMZVCRSA-N 2 2 348.466 1.153 20 0 EDADLP C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424305007 298140755 /nfs/dbraw/zinc/14/07/55/298140755.db2.gz RQTORMKDBNIEDL-GDBMZVCRSA-N 2 2 348.466 1.153 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000188653774 300161541 /nfs/dbraw/zinc/16/15/41/300161541.db2.gz RGHKWYGYQCPBDH-DOTOQJQBSA-N 2 2 333.476 1.593 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000188653774 300161543 /nfs/dbraw/zinc/16/15/43/300161543.db2.gz RGHKWYGYQCPBDH-DOTOQJQBSA-N 2 2 333.476 1.593 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000365374318 300307150 /nfs/dbraw/zinc/30/71/50/300307150.db2.gz AXVXDNZSJRTIFT-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000365374318 300307154 /nfs/dbraw/zinc/30/71/54/300307154.db2.gz AXVXDNZSJRTIFT-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419700013 304665738 /nfs/dbraw/zinc/66/57/38/304665738.db2.gz BBQXWJYDFBLWGB-HOCLYGCPSA-N 2 2 332.452 1.883 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(CCOC)CC3)CC2)CC1 ZINC000422018838 447311274 /nfs/dbraw/zinc/31/12/74/447311274.db2.gz KZWCQPSOOMLALO-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(CCOC)CC3)CC2)CC1 ZINC000422018838 447311279 /nfs/dbraw/zinc/31/12/79/447311279.db2.gz KZWCQPSOOMLALO-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H]3[C@H](C)CC[NH2+][C@@H]3C)CC2)c1 ZINC000420373480 304753107 /nfs/dbraw/zinc/75/31/07/304753107.db2.gz RDMSHJPGBOWFPO-MBOZVWFJSA-N 2 2 344.503 1.620 20 0 EDADLP COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC[NH3+])CC1 ZINC000414755382 447322676 /nfs/dbraw/zinc/32/26/76/447322676.db2.gz OXPRQSCNUHGOIK-HNNXBMFYSA-N 2 2 325.840 1.521 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000648845020 453325391 /nfs/dbraw/zinc/32/53/91/453325391.db2.gz LKGUOQPHDRYBCD-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000648845020 453325396 /nfs/dbraw/zinc/32/53/96/453325396.db2.gz LKGUOQPHDRYBCD-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000162987033 302935318 /nfs/dbraw/zinc/93/53/18/302935318.db2.gz GNTCJIZQGCLKIM-PMPSAXMXSA-N 2 2 332.448 1.133 20 0 EDADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000294217172 303078666 /nfs/dbraw/zinc/07/86/66/303078666.db2.gz LQELQUPMLCWYPW-MAUKXSAKSA-N 2 2 333.476 1.856 20 0 EDADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000294217172 303078668 /nfs/dbraw/zinc/07/86/68/303078668.db2.gz LQELQUPMLCWYPW-MAUKXSAKSA-N 2 2 333.476 1.856 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000294325221 303092077 /nfs/dbraw/zinc/09/20/77/303092077.db2.gz IZUOTHHIKDZYMH-OAHLLOKOSA-N 2 2 334.807 1.473 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000294325221 303092079 /nfs/dbraw/zinc/09/20/79/303092079.db2.gz IZUOTHHIKDZYMH-OAHLLOKOSA-N 2 2 334.807 1.473 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000294368435 303098259 /nfs/dbraw/zinc/09/82/59/303098259.db2.gz VWTJJOLTCKOULV-DZGCQCFKSA-N 2 2 334.420 1.095 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H](C)C(C)(C)O)CC2)c1 ZINC000295132534 303177117 /nfs/dbraw/zinc/17/71/17/303177117.db2.gz KAFKGTUOUZOLAF-KRWDZBQOSA-N 2 2 347.503 1.730 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H](C)C(C)(C)O)CC2)c1 ZINC000295132534 303177119 /nfs/dbraw/zinc/17/71/19/303177119.db2.gz KAFKGTUOUZOLAF-KRWDZBQOSA-N 2 2 347.503 1.730 20 0 EDADLP CCn1nc(C)c(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)n1 ZINC000295310905 303203077 /nfs/dbraw/zinc/20/30/77/303203077.db2.gz YJHLVVOCVFVXQA-CYBMUJFWSA-N 2 2 330.440 1.197 20 0 EDADLP COCCOC[C@@H](O)C[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000295809737 303270662 /nfs/dbraw/zinc/27/06/62/303270662.db2.gz UBGGRSHYOTWCPQ-RBUKOAKNSA-N 2 2 338.492 1.757 20 0 EDADLP COCCOC[C@@H](O)C[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000295809737 303270664 /nfs/dbraw/zinc/27/06/64/303270664.db2.gz UBGGRSHYOTWCPQ-RBUKOAKNSA-N 2 2 338.492 1.757 20 0 EDADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295990411 303287534 /nfs/dbraw/zinc/28/75/34/303287534.db2.gz OYBOXGILAULIRX-GDBMZVCRSA-N 2 2 344.459 1.802 20 0 EDADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295990411 303287536 /nfs/dbraw/zinc/28/75/36/303287536.db2.gz OYBOXGILAULIRX-GDBMZVCRSA-N 2 2 344.459 1.802 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000296782981 303337592 /nfs/dbraw/zinc/33/75/92/303337592.db2.gz GKYANBVEXRNKRU-INIZCTEOSA-N 2 2 343.431 1.971 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000333020766 303797913 /nfs/dbraw/zinc/79/79/13/303797913.db2.gz ZJNQYLBFPGHJQK-AIANPOQGSA-N 2 2 334.464 1.448 20 0 EDADLP COCC[NH2+]CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000414885983 447343792 /nfs/dbraw/zinc/34/37/92/447343792.db2.gz PIZPJBHRWWOUTH-UHFFFAOYSA-N 2 2 345.237 1.546 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000422919652 304880372 /nfs/dbraw/zinc/88/03/72/304880372.db2.gz KQVVDPNFBUZOFV-WMZOPIPTSA-N 2 2 346.475 1.534 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@@H](O)C2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422998295 304882605 /nfs/dbraw/zinc/88/26/05/304882605.db2.gz WIQKMYUGURXVQL-OTWHNJEPSA-N 2 2 334.460 1.865 20 0 EDADLP Brc1cnn(CCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423123267 304887845 /nfs/dbraw/zinc/88/78/45/304887845.db2.gz KWFVNTGUHMDNPI-UONOGXRCSA-N 2 2 343.269 1.392 20 0 EDADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423286353 304891180 /nfs/dbraw/zinc/89/11/80/304891180.db2.gz GRPUPNDTVJMTFE-ZDUSSCGKSA-N 2 2 341.477 1.095 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423457619 304896659 /nfs/dbraw/zinc/89/66/59/304896659.db2.gz IRSSLBFVYSTIDV-HFZWIWRYSA-N 2 2 325.416 1.903 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000423851728 304912337 /nfs/dbraw/zinc/91/23/37/304912337.db2.gz UREUAWXFRMRUHX-SJORKVTESA-N 2 2 344.459 1.417 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCCOc1cccc(Cl)c1 ZINC000428030791 305004416 /nfs/dbraw/zinc/00/44/16/305004416.db2.gz IXWTUQAMSGDNEI-XJKSGUPXSA-N 2 2 337.851 1.519 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCCOc1cccc(Cl)c1 ZINC000428030791 305004417 /nfs/dbraw/zinc/00/44/17/305004417.db2.gz IXWTUQAMSGDNEI-XJKSGUPXSA-N 2 2 337.851 1.519 20 0 EDADLP O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000428032475 305004462 /nfs/dbraw/zinc/00/44/62/305004462.db2.gz KESNJKRUKCNMOP-RDJZCZTQSA-N 2 2 348.516 1.076 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000428046162 305005493 /nfs/dbraw/zinc/00/54/93/305005493.db2.gz TZCIIUYSAGJTTL-JLJPHGGASA-N 2 2 349.450 1.865 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000428046162 305005494 /nfs/dbraw/zinc/00/54/94/305005494.db2.gz TZCIIUYSAGJTTL-JLJPHGGASA-N 2 2 349.450 1.865 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428046667 305005636 /nfs/dbraw/zinc/00/56/36/305005636.db2.gz BEDZIWVXTDVESM-YQQAZPJKSA-N 2 2 331.460 1.898 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428046667 305005637 /nfs/dbraw/zinc/00/56/37/305005637.db2.gz BEDZIWVXTDVESM-YQQAZPJKSA-N 2 2 331.460 1.898 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428051614 305005814 /nfs/dbraw/zinc/00/58/14/305005814.db2.gz WEPGWVBIPXWLNZ-WFASDCNBSA-N 2 2 332.404 1.027 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428051614 305005815 /nfs/dbraw/zinc/00/58/15/305005815.db2.gz WEPGWVBIPXWLNZ-WFASDCNBSA-N 2 2 332.404 1.027 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000428049825 305005817 /nfs/dbraw/zinc/00/58/17/305005817.db2.gz PRJHAKPENSWRJV-AEFFLSMTSA-N 2 2 339.443 1.172 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000428049825 305005818 /nfs/dbraw/zinc/00/58/18/305005818.db2.gz PRJHAKPENSWRJV-AEFFLSMTSA-N 2 2 339.443 1.172 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CCO1 ZINC000428059570 305006304 /nfs/dbraw/zinc/00/63/04/305006304.db2.gz NOMRUTOEPUCDEB-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CCO1 ZINC000428059570 305006305 /nfs/dbraw/zinc/00/63/05/305006305.db2.gz NOMRUTOEPUCDEB-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCO1 ZINC000428059570 305006306 /nfs/dbraw/zinc/00/63/06/305006306.db2.gz NOMRUTOEPUCDEB-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CCO1 ZINC000428059570 305006307 /nfs/dbraw/zinc/00/63/07/305006307.db2.gz NOMRUTOEPUCDEB-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000428251456 305008892 /nfs/dbraw/zinc/00/88/92/305008892.db2.gz ZRGNGPHDIMIVSX-MSOLQXFVSA-N 2 2 347.507 1.573 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000428251456 305008893 /nfs/dbraw/zinc/00/88/93/305008893.db2.gz ZRGNGPHDIMIVSX-MSOLQXFVSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)cc1 ZINC000430567677 305056115 /nfs/dbraw/zinc/05/61/15/305056115.db2.gz FZFDNITYLBTYAW-LJQANCHMSA-N 2 2 333.476 1.945 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430596114 305057682 /nfs/dbraw/zinc/05/76/82/305057682.db2.gz ZDSSQBJIWOWLBE-INIZCTEOSA-N 2 2 334.464 1.680 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430596114 305057683 /nfs/dbraw/zinc/05/76/83/305057683.db2.gz ZDSSQBJIWOWLBE-INIZCTEOSA-N 2 2 334.464 1.680 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430636822 305060614 /nfs/dbraw/zinc/06/06/14/305060614.db2.gz JYYUQHVTOUFEON-WMLDXEAASA-N 2 2 335.423 1.396 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430636822 305060615 /nfs/dbraw/zinc/06/06/15/305060615.db2.gz JYYUQHVTOUFEON-WMLDXEAASA-N 2 2 335.423 1.396 20 0 EDADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430706392 305062986 /nfs/dbraw/zinc/06/29/86/305062986.db2.gz MXAUPOFENAFEKD-MLHJIOFPSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430927840 305068632 /nfs/dbraw/zinc/06/86/32/305068632.db2.gz RUKSSRGWTOKOJR-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430927840 305068633 /nfs/dbraw/zinc/06/86/33/305068633.db2.gz RUKSSRGWTOKOJR-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(COC(C)C)cc2)C1 ZINC000430941015 305069558 /nfs/dbraw/zinc/06/95/58/305069558.db2.gz SXKCCQFJWKRMAH-SFHVURJKSA-N 2 2 333.476 1.769 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(COC(C)C)cc2)C1 ZINC000430941015 305069559 /nfs/dbraw/zinc/06/95/59/305069559.db2.gz SXKCCQFJWKRMAH-SFHVURJKSA-N 2 2 333.476 1.769 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000430945575 305070063 /nfs/dbraw/zinc/07/00/63/305070063.db2.gz XQJNJKUMTDQVQT-ZBFHGGJFSA-N 2 2 334.439 1.143 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)CC[C@@H]1[NH3+] ZINC000430945575 305070064 /nfs/dbraw/zinc/07/00/64/305070064.db2.gz XQJNJKUMTDQVQT-ZBFHGGJFSA-N 2 2 334.439 1.143 20 0 EDADLP C[C@H]1C[N@H+](CCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCCO1 ZINC000432859905 305096551 /nfs/dbraw/zinc/09/65/51/305096551.db2.gz QEEVNLVLSQVAKT-JKSUJKDBSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@H]1C[N@@H+](CCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CCCO1 ZINC000432859905 305096552 /nfs/dbraw/zinc/09/65/52/305096552.db2.gz QEEVNLVLSQVAKT-JKSUJKDBSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@H]1C[N@H+](CCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCCO1 ZINC000432859905 305096553 /nfs/dbraw/zinc/09/65/53/305096553.db2.gz QEEVNLVLSQVAKT-JKSUJKDBSA-N 2 2 349.479 1.351 20 0 EDADLP C[C@H]1C[N@@H+](CCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CCCO1 ZINC000432859905 305096554 /nfs/dbraw/zinc/09/65/54/305096554.db2.gz QEEVNLVLSQVAKT-JKSUJKDBSA-N 2 2 349.479 1.351 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC000433159636 305102227 /nfs/dbraw/zinc/10/22/27/305102227.db2.gz SHBICSDUDUEKJC-ROUUACIJSA-N 2 2 333.476 1.715 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433307426 305105565 /nfs/dbraw/zinc/10/55/65/305105565.db2.gz UWDIJSXSNJLGOA-CYBMUJFWSA-N 2 2 331.420 1.347 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433307426 305105566 /nfs/dbraw/zinc/10/55/66/305105566.db2.gz UWDIJSXSNJLGOA-CYBMUJFWSA-N 2 2 331.420 1.347 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000433582332 305111225 /nfs/dbraw/zinc/11/12/25/305111225.db2.gz ULCFZUWJVRRROL-UHFFFAOYSA-N 2 2 333.480 1.290 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000433950502 305115604 /nfs/dbraw/zinc/11/56/04/305115604.db2.gz XNNLVVOBKVCXKE-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1F ZINC000436054641 305151509 /nfs/dbraw/zinc/15/15/09/305151509.db2.gz RYBIJEKYVAIBAV-ZDUSSCGKSA-N 2 2 336.411 1.084 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1F ZINC000436054641 305151510 /nfs/dbraw/zinc/15/15/10/305151510.db2.gz RYBIJEKYVAIBAV-ZDUSSCGKSA-N 2 2 336.411 1.084 20 0 EDADLP CC(C)CCc1noc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000436054759 305151517 /nfs/dbraw/zinc/15/15/17/305151517.db2.gz IJCDCEUOADAKGF-CQSZACIVSA-N 2 2 337.468 1.478 20 0 EDADLP CC(C)CCc1noc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000436054759 305151518 /nfs/dbraw/zinc/15/15/18/305151518.db2.gz IJCDCEUOADAKGF-CQSZACIVSA-N 2 2 337.468 1.478 20 0 EDADLP C[C@@H]1[NH2+]CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000436054372 305151549 /nfs/dbraw/zinc/15/15/49/305151549.db2.gz VIJLNCKZDIKFBV-HOTGVXAUSA-N 2 2 346.475 1.140 20 0 EDADLP Cc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436059227 305151784 /nfs/dbraw/zinc/15/17/84/305151784.db2.gz KKKGQXNXRXQUQL-OAHLLOKOSA-N 2 2 332.448 1.253 20 0 EDADLP Cc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436059227 305151785 /nfs/dbraw/zinc/15/17/85/305151785.db2.gz KKKGQXNXRXQUQL-OAHLLOKOSA-N 2 2 332.448 1.253 20 0 EDADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000439068425 305193520 /nfs/dbraw/zinc/19/35/20/305193520.db2.gz IHMKOUDRANCIHY-XJKSGUPXSA-N 2 2 335.448 1.761 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O)[NH+](C)C ZINC000442986770 305232569 /nfs/dbraw/zinc/23/25/69/305232569.db2.gz CWBCJORYVZUOCH-PBHICJAKSA-N 2 2 344.459 1.173 20 0 EDADLP CS[C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)C[C@H]1[NH+]1CCCC1 ZINC000445596941 305259112 /nfs/dbraw/zinc/25/91/12/305259112.db2.gz PXDXZMCCUFZFNT-CABCVRRESA-N 2 2 349.504 1.329 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000447265648 305276651 /nfs/dbraw/zinc/27/66/51/305276651.db2.gz SBCDJTVDDHNWAS-JYJNAYRXSA-N 2 2 337.464 1.421 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000447265648 305276652 /nfs/dbraw/zinc/27/66/52/305276652.db2.gz SBCDJTVDDHNWAS-JYJNAYRXSA-N 2 2 337.464 1.421 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000447265646 305276766 /nfs/dbraw/zinc/27/67/66/305276766.db2.gz SBCDJTVDDHNWAS-ARFHVFGLSA-N 2 2 337.464 1.421 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000447265646 305276767 /nfs/dbraw/zinc/27/67/67/305276767.db2.gz SBCDJTVDDHNWAS-ARFHVFGLSA-N 2 2 337.464 1.421 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)[C@@H]2C)CC1 ZINC000451466798 305348192 /nfs/dbraw/zinc/34/81/92/305348192.db2.gz XMYCUSGPPXVLFL-ZIFCJYIRSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)[C@@H]2C)CC1 ZINC000451466798 305348193 /nfs/dbraw/zinc/34/81/93/305348193.db2.gz XMYCUSGPPXVLFL-ZIFCJYIRSA-N 2 2 345.487 1.737 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377773433 447349716 /nfs/dbraw/zinc/34/97/16/447349716.db2.gz SGYFOVQMNSNECF-SJORKVTESA-N 2 2 344.459 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377773433 447349722 /nfs/dbraw/zinc/34/97/22/447349722.db2.gz SGYFOVQMNSNECF-SJORKVTESA-N 2 2 344.459 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377773433 447349728 /nfs/dbraw/zinc/34/97/28/447349728.db2.gz SGYFOVQMNSNECF-SJORKVTESA-N 2 2 344.459 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377773433 447349734 /nfs/dbraw/zinc/34/97/34/447349734.db2.gz SGYFOVQMNSNECF-SJORKVTESA-N 2 2 344.459 1.286 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000492853212 305605404 /nfs/dbraw/zinc/60/54/04/305605404.db2.gz BDKFFEMTGYUVCH-JFDDCEBESA-N 2 2 332.448 1.487 20 0 EDADLP COc1cc[nH+]c(CN2CCC(C)([NH+]3CCOCC3)CC2)c1OC ZINC000528726186 305887070 /nfs/dbraw/zinc/88/70/70/305887070.db2.gz AIPQCZQKIFQNFM-UHFFFAOYSA-N 2 2 335.448 1.786 20 0 EDADLP C[NH+](C)CCOC1CC[NH+](Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000536677157 306025112 /nfs/dbraw/zinc/02/51/12/306025112.db2.gz WUXWYKSWNQQOKY-UHFFFAOYSA-N 2 2 340.489 1.633 20 0 EDADLP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccn(C)n1 ZINC000544580393 306076915 /nfs/dbraw/zinc/07/69/15/306076915.db2.gz SKLIHFMHQCRJNJ-INIZCTEOSA-N 2 2 328.464 1.808 20 0 EDADLP Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000545233273 306082954 /nfs/dbraw/zinc/08/29/54/306082954.db2.gz ONGGDCWVULRKRL-GDBMZVCRSA-N 2 2 327.432 1.965 20 0 EDADLP CN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC(O)C1 ZINC000545414314 306084820 /nfs/dbraw/zinc/08/48/20/306084820.db2.gz VQUIOGUFXORQRV-UHFFFAOYSA-N 2 2 338.496 1.101 20 0 EDADLP C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000546105230 306090845 /nfs/dbraw/zinc/09/08/45/306090845.db2.gz QQKUSWFFARQJQG-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP C[C@@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000546105230 306090846 /nfs/dbraw/zinc/09/08/46/306090846.db2.gz QQKUSWFFARQJQG-KRWDZBQOSA-N 2 2 337.489 1.239 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000547628363 306105637 /nfs/dbraw/zinc/10/56/37/306105637.db2.gz XLLWZTJVZTVOKW-SOLBZPMBSA-N 2 2 339.443 1.943 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000547628363 306105638 /nfs/dbraw/zinc/10/56/38/306105638.db2.gz XLLWZTJVZTVOKW-SOLBZPMBSA-N 2 2 339.443 1.943 20 0 EDADLP C[N@H+](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000547630679 306105844 /nfs/dbraw/zinc/10/58/44/306105844.db2.gz ZAOUZLQXMVGZBC-MRXNPFEDSA-N 2 2 345.422 1.768 20 0 EDADLP C[N@@H+](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000547630679 306105845 /nfs/dbraw/zinc/10/58/45/306105845.db2.gz ZAOUZLQXMVGZBC-MRXNPFEDSA-N 2 2 345.422 1.768 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000547630485 306105850 /nfs/dbraw/zinc/10/58/50/306105850.db2.gz IHEXEHSSJUGRIG-HOTGVXAUSA-N 2 2 333.480 1.865 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000547630485 306105851 /nfs/dbraw/zinc/10/58/51/306105851.db2.gz IHEXEHSSJUGRIG-HOTGVXAUSA-N 2 2 333.480 1.865 20 0 EDADLP CC(=O)N[C@]1(c2nc(C)cs2)CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000547683618 306107757 /nfs/dbraw/zinc/10/77/57/306107757.db2.gz UQRHDQLUOUMREI-QGZVFWFLSA-N 2 2 336.505 1.975 20 0 EDADLP CC(=O)N[C@]1(c2nc(C)cs2)CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000547683618 306107758 /nfs/dbraw/zinc/10/77/58/306107758.db2.gz UQRHDQLUOUMREI-QGZVFWFLSA-N 2 2 336.505 1.975 20 0 EDADLP Cc1cc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)c[nH+]1 ZINC000556769160 306217137 /nfs/dbraw/zinc/21/71/37/306217137.db2.gz FGRDLMRHRLTJCR-UHFFFAOYSA-N 2 2 347.463 1.042 20 0 EDADLP CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000556938099 306221356 /nfs/dbraw/zinc/22/13/56/306221356.db2.gz YXIVBPLKFABGRV-MRXNPFEDSA-N 2 2 347.463 1.778 20 0 EDADLP CN(C)c1nc2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc2o1 ZINC000556972705 306222283 /nfs/dbraw/zinc/22/22/83/306222283.db2.gz YBNXPAYFGLOJQC-LBPRGKRZSA-N 2 2 332.408 1.000 20 0 EDADLP CN(C)c1nc2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc2o1 ZINC000556972705 306222284 /nfs/dbraw/zinc/22/22/84/306222284.db2.gz YBNXPAYFGLOJQC-LBPRGKRZSA-N 2 2 332.408 1.000 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000377816105 447370657 /nfs/dbraw/zinc/37/06/57/447370657.db2.gz CDVUHLFKKMXBBZ-HZPDHXFCSA-N 2 2 343.431 1.787 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000377816105 447370664 /nfs/dbraw/zinc/37/06/64/447370664.db2.gz CDVUHLFKKMXBBZ-HZPDHXFCSA-N 2 2 343.431 1.787 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC(C)(C)C[NH+](C)C)nc[nH+]1 ZINC000458469927 447377872 /nfs/dbraw/zinc/37/78/72/447377872.db2.gz GBRPTOBJJDOXKL-ZDUSSCGKSA-N 2 2 349.483 1.127 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)NC(C)(C)C[NH+](C)C)[nH+]cn1 ZINC000458469927 447377879 /nfs/dbraw/zinc/37/78/79/447377879.db2.gz GBRPTOBJJDOXKL-ZDUSSCGKSA-N 2 2 349.483 1.127 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)ccc1OCC(F)(F)F ZINC000414968837 447379181 /nfs/dbraw/zinc/37/91/81/447379181.db2.gz DEUULVYPESGBNF-CYBMUJFWSA-N 2 2 347.381 1.630 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CC)C[C@@H]1CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000456384895 447382962 /nfs/dbraw/zinc/38/29/62/447382962.db2.gz QNNVEWMYXZWBTR-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CC)C[C@@H]1CC)[N@H+]1CCO[C@H](CC)C1 ZINC000456384895 447382966 /nfs/dbraw/zinc/38/29/66/447382966.db2.gz QNNVEWMYXZWBTR-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@H+](CC)C[C@@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000456384895 447382970 /nfs/dbraw/zinc/38/29/70/447382970.db2.gz QNNVEWMYXZWBTR-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@@H+](CC)C[C@@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000456384895 447382973 /nfs/dbraw/zinc/38/29/73/447382973.db2.gz QNNVEWMYXZWBTR-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415024571 447386235 /nfs/dbraw/zinc/38/62/35/447386235.db2.gz NPFXOEBVUMEPIW-ZDUSSCGKSA-N 2 2 341.415 1.239 20 0 EDADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415024571 447386240 /nfs/dbraw/zinc/38/62/40/447386240.db2.gz NPFXOEBVUMEPIW-ZDUSSCGKSA-N 2 2 341.415 1.239 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422236675 447417159 /nfs/dbraw/zinc/41/71/59/447417159.db2.gz HRNVUTKVROUSMF-FHERZECASA-N 2 2 326.485 1.221 20 0 EDADLP COC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCC1 ZINC000458609924 447426635 /nfs/dbraw/zinc/42/66/35/447426635.db2.gz ZFXPUTXXTBLVRH-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000378498295 447435453 /nfs/dbraw/zinc/43/54/53/447435453.db2.gz QGALONBYBFFLEC-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000378498295 447435456 /nfs/dbraw/zinc/43/54/56/447435456.db2.gz QGALONBYBFFLEC-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)[nH+]c1 ZINC000105139175 441237808 /nfs/dbraw/zinc/23/78/08/441237808.db2.gz NWQOQNPDIUROJC-JKSUJKDBSA-N 2 2 349.479 1.600 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[NH+](C2CC2)CC1 ZINC000105178152 441240739 /nfs/dbraw/zinc/24/07/39/441240739.db2.gz ILIAASQACHOEGH-UHFFFAOYSA-N 2 2 334.489 1.596 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[NH+](C2CC2)CC1 ZINC000105178152 441240742 /nfs/dbraw/zinc/24/07/42/441240742.db2.gz ILIAASQACHOEGH-UHFFFAOYSA-N 2 2 334.489 1.596 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)C(=O)N3CCC(C)CC3)CC2)c1 ZINC000104719310 441201616 /nfs/dbraw/zinc/20/16/16/441201616.db2.gz QXZWYXNAGCIBCA-MRXNPFEDSA-N 2 2 346.475 1.859 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000105178877 441241440 /nfs/dbraw/zinc/24/14/40/441241440.db2.gz IRHMQAPNRQCRPT-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000105178877 441241443 /nfs/dbraw/zinc/24/14/43/441241443.db2.gz IRHMQAPNRQCRPT-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960061 441211985 /nfs/dbraw/zinc/21/19/85/441211985.db2.gz TXWFCSWYJXNNPK-ILXRZTDVSA-N 2 2 347.463 1.994 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960061 441211988 /nfs/dbraw/zinc/21/19/88/441211988.db2.gz TXWFCSWYJXNNPK-ILXRZTDVSA-N 2 2 347.463 1.994 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000081238029 441241826 /nfs/dbraw/zinc/24/18/26/441241826.db2.gz FKRAZQZINFRMOH-KRWDZBQOSA-N 2 2 328.416 1.268 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000081238029 441241829 /nfs/dbraw/zinc/24/18/29/441241829.db2.gz FKRAZQZINFRMOH-KRWDZBQOSA-N 2 2 328.416 1.268 20 0 EDADLP Cc1ccccc1C[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000016374650 441220950 /nfs/dbraw/zinc/22/09/50/441220950.db2.gz WOQWEUMRVHCOLB-IBGZPJMESA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccccc1C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000016374650 441220951 /nfs/dbraw/zinc/22/09/51/441220951.db2.gz WOQWEUMRVHCOLB-IBGZPJMESA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccccc1C[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000016374650 441220955 /nfs/dbraw/zinc/22/09/55/441220955.db2.gz WOQWEUMRVHCOLB-IBGZPJMESA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccccc1C[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000016374650 441220958 /nfs/dbraw/zinc/22/09/58/441220958.db2.gz WOQWEUMRVHCOLB-IBGZPJMESA-N 2 2 347.503 1.900 20 0 EDADLP C[C@@H](C[C@@H]1CCCO1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105227459 441244704 /nfs/dbraw/zinc/24/47/04/441244704.db2.gz RWYPVUCGZYKLTM-RDJZCZTQSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H](C[C@@H]1CCCO1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105227459 441244705 /nfs/dbraw/zinc/24/47/05/441244705.db2.gz RWYPVUCGZYKLTM-RDJZCZTQSA-N 2 2 340.512 1.611 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000105477055 441256587 /nfs/dbraw/zinc/25/65/87/441256587.db2.gz MXUDRFQNUCEHJA-UHFFFAOYSA-N 3 2 327.476 1.990 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCOc2ccccc2)C1 ZINC000081569543 441291325 /nfs/dbraw/zinc/29/13/25/441291325.db2.gz AAMNWCIKPXRREW-QGZVFWFLSA-N 2 2 333.476 1.845 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCOc2ccccc2)C1 ZINC000081569543 441291329 /nfs/dbraw/zinc/29/13/29/441291329.db2.gz AAMNWCIKPXRREW-QGZVFWFLSA-N 2 2 333.476 1.845 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000081569543 441291332 /nfs/dbraw/zinc/29/13/32/441291332.db2.gz AAMNWCIKPXRREW-QGZVFWFLSA-N 2 2 333.476 1.845 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000081569543 441291337 /nfs/dbraw/zinc/29/13/37/441291337.db2.gz AAMNWCIKPXRREW-QGZVFWFLSA-N 2 2 333.476 1.845 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000081633497 441298493 /nfs/dbraw/zinc/29/84/93/441298493.db2.gz DUEKGPLXJQCSPR-QGZVFWFLSA-N 3 2 336.524 1.251 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000081633497 441298495 /nfs/dbraw/zinc/29/84/95/441298495.db2.gz DUEKGPLXJQCSPR-QGZVFWFLSA-N 3 2 336.524 1.251 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000081633497 441298499 /nfs/dbraw/zinc/29/84/99/441298499.db2.gz DUEKGPLXJQCSPR-QGZVFWFLSA-N 3 2 336.524 1.251 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000081633497 441298500 /nfs/dbraw/zinc/29/85/00/441298500.db2.gz DUEKGPLXJQCSPR-QGZVFWFLSA-N 3 2 336.524 1.251 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000105896272 441311696 /nfs/dbraw/zinc/31/16/96/441311696.db2.gz UEKCPFINCHWQCK-AWEZNQCLSA-N 2 2 335.452 1.564 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000105896272 441311701 /nfs/dbraw/zinc/31/17/01/441311701.db2.gz UEKCPFINCHWQCK-AWEZNQCLSA-N 2 2 335.452 1.564 20 0 EDADLP Cc1cc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)nc(C)[nH+]1 ZINC000073860702 441362973 /nfs/dbraw/zinc/36/29/73/441362973.db2.gz IVRARPQSQKJWAP-UHFFFAOYSA-N 2 2 331.464 1.618 20 0 EDADLP COCC[NH+](CCOC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051088583 441397792 /nfs/dbraw/zinc/39/77/92/441397792.db2.gz RAKVLGQHHZWLTO-INIZCTEOSA-N 2 2 335.448 1.609 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N[C@@H](C)c3ccccc3)C2)CC1 ZINC000107369590 441412421 /nfs/dbraw/zinc/41/24/21/441412421.db2.gz UKXJHEHYUFZVDF-HKUYNNGSSA-N 2 2 344.503 1.576 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@@H](C)c3ccccc3)C2)CC1 ZINC000107369590 441412424 /nfs/dbraw/zinc/41/24/24/441412424.db2.gz UKXJHEHYUFZVDF-HKUYNNGSSA-N 2 2 344.503 1.576 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000065469437 441440017 /nfs/dbraw/zinc/44/00/17/441440017.db2.gz GDNXNXQVHORWTR-SJLPKXTDSA-N 2 2 348.491 1.618 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCCn1cc[nH+]c1 ZINC000107076311 441399731 /nfs/dbraw/zinc/39/97/31/441399731.db2.gz TWUWUYGGKQDOSR-UHFFFAOYSA-N 2 2 330.436 1.442 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089146759 441526659 /nfs/dbraw/zinc/52/66/59/441526659.db2.gz BRVNUWFEMRKUIG-KRWDZBQOSA-N 2 2 341.496 1.944 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089146759 441526665 /nfs/dbraw/zinc/52/66/65/441526665.db2.gz BRVNUWFEMRKUIG-KRWDZBQOSA-N 2 2 341.496 1.944 20 0 EDADLP COC[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000075677187 441547693 /nfs/dbraw/zinc/54/76/93/441547693.db2.gz DLTUBKMQFZDZJB-QZTJIDSGSA-N 2 2 332.492 1.951 20 0 EDADLP COC[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000075677187 441547697 /nfs/dbraw/zinc/54/76/97/441547697.db2.gz DLTUBKMQFZDZJB-QZTJIDSGSA-N 2 2 332.492 1.951 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109754400 441504799 /nfs/dbraw/zinc/50/47/99/441504799.db2.gz UDWWXKKWDPIVBR-IRXDYDNUSA-N 2 2 338.540 1.782 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109754400 441504802 /nfs/dbraw/zinc/50/48/02/441504802.db2.gz UDWWXKKWDPIVBR-IRXDYDNUSA-N 2 2 338.540 1.782 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000109788874 441506467 /nfs/dbraw/zinc/50/64/67/441506467.db2.gz SINMVDMPIJHVNA-UHFFFAOYSA-N 3 2 336.524 1.536 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000109788874 441506469 /nfs/dbraw/zinc/50/64/69/441506469.db2.gz SINMVDMPIJHVNA-UHFFFAOYSA-N 3 2 336.524 1.536 20 0 EDADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796474 441507485 /nfs/dbraw/zinc/50/74/85/441507485.db2.gz QUDYTKWGZHTAMP-GOEBONIOSA-N 2 2 347.463 1.925 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000075836305 441558051 /nfs/dbraw/zinc/55/80/51/441558051.db2.gz UZBQXWPTAMTABB-QGZVFWFLSA-N 3 2 336.524 1.395 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000075836305 441558054 /nfs/dbraw/zinc/55/80/54/441558054.db2.gz UZBQXWPTAMTABB-QGZVFWFLSA-N 3 2 336.524 1.395 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926390 441597013 /nfs/dbraw/zinc/59/70/13/441597013.db2.gz PUGMKSFLXROBJU-BZUAXINKSA-N 2 2 333.480 1.720 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCCc2cn3ccccc3[nH+]2)CCOCC1 ZINC000114018561 441630914 /nfs/dbraw/zinc/63/09/14/441630914.db2.gz JAOVVHFHBQWUFA-UHFFFAOYSA-N 2 2 345.447 1.287 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114199420 441640468 /nfs/dbraw/zinc/64/04/68/441640468.db2.gz QOMJLNBTQRHKRF-GOEBONIOSA-N 2 2 347.459 1.361 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114199420 441640472 /nfs/dbraw/zinc/64/04/72/441640472.db2.gz QOMJLNBTQRHKRF-GOEBONIOSA-N 2 2 347.459 1.361 20 0 EDADLP CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076407348 441641703 /nfs/dbraw/zinc/64/17/03/441641703.db2.gz OFLBWZWSYNDORT-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076407348 441641706 /nfs/dbraw/zinc/64/17/06/441641706.db2.gz OFLBWZWSYNDORT-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C[NH+]1CCOCC1 ZINC000041570771 441659855 /nfs/dbraw/zinc/65/98/55/441659855.db2.gz YFSGPFALRSUOAH-OAHLLOKOSA-N 2 2 328.416 1.570 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076599747 441663688 /nfs/dbraw/zinc/66/36/88/441663688.db2.gz IIIBWXHSZVLHJL-AWEZNQCLSA-N 2 2 343.431 1.131 20 0 EDADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000076830672 441687690 /nfs/dbraw/zinc/68/76/90/441687690.db2.gz OANDHVOPDQGGBP-INIZCTEOSA-N 2 2 327.432 1.210 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000173386166 441731542 /nfs/dbraw/zinc/73/15/42/441731542.db2.gz VAMCXAKYSRHLTJ-QGZVFWFLSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121610002 441742377 /nfs/dbraw/zinc/74/23/77/441742377.db2.gz IYMGUUYYTVBSAN-MLHJIOFPSA-N 2 2 349.519 1.866 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121610002 441742381 /nfs/dbraw/zinc/74/23/81/441742381.db2.gz IYMGUUYYTVBSAN-MLHJIOFPSA-N 2 2 349.519 1.866 20 0 EDADLP Cc1cccc(NC2CC[NH+](CC(=O)NC3CCOCC3)CC2)[nH+]1 ZINC000077316575 441754403 /nfs/dbraw/zinc/75/44/03/441754403.db2.gz IQLSIVYOTRTJHP-UHFFFAOYSA-N 2 2 332.448 1.562 20 0 EDADLP c1nc(N2CC[NH+](CC3CCCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000158689457 441754607 /nfs/dbraw/zinc/75/46/07/441754607.db2.gz RSVMYGVTKRAPCQ-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP Oc1cccc(C[NH+]2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)c1 ZINC000077489824 441791282 /nfs/dbraw/zinc/79/12/82/441791282.db2.gz ICCSBINQKCYIEY-UHFFFAOYSA-N 2 2 336.399 1.690 20 0 EDADLP Cc1ccc(C(=O)CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000159225322 441796152 /nfs/dbraw/zinc/79/61/52/441796152.db2.gz ADXVZGSBKLEJTK-UHFFFAOYSA-N 2 2 343.471 1.808 20 0 EDADLP CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123869009 441901868 /nfs/dbraw/zinc/90/18/68/441901868.db2.gz OCMHZXVMWWTSNU-QZTJIDSGSA-N 2 2 342.443 1.679 20 0 EDADLP CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123869009 441901873 /nfs/dbraw/zinc/90/18/73/441901873.db2.gz OCMHZXVMWWTSNU-QZTJIDSGSA-N 2 2 342.443 1.679 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841523 441905110 /nfs/dbraw/zinc/90/51/10/441905110.db2.gz XHBZDIIXOREKCB-MRXNPFEDSA-N 2 2 333.476 1.628 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841523 441905115 /nfs/dbraw/zinc/90/51/15/441905115.db2.gz XHBZDIIXOREKCB-MRXNPFEDSA-N 2 2 333.476 1.628 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841523 441905119 /nfs/dbraw/zinc/90/51/19/441905119.db2.gz XHBZDIIXOREKCB-MRXNPFEDSA-N 2 2 333.476 1.628 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841523 441905125 /nfs/dbraw/zinc/90/51/25/441905125.db2.gz XHBZDIIXOREKCB-MRXNPFEDSA-N 2 2 333.476 1.628 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nc(C)[nH+]1 ZINC000069228188 441906072 /nfs/dbraw/zinc/90/60/72/441906072.db2.gz OQXXDWUXZKIQDS-QGZVFWFLSA-N 2 2 342.443 1.655 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCCOc1cccc(F)c1 ZINC000124347838 441920146 /nfs/dbraw/zinc/92/01/46/441920146.db2.gz VUPBEJQXCUNIOW-UHFFFAOYSA-N 2 2 334.395 1.539 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCCOc1cccc(F)c1 ZINC000124347838 441920151 /nfs/dbraw/zinc/92/01/51/441920151.db2.gz VUPBEJQXCUNIOW-UHFFFAOYSA-N 2 2 334.395 1.539 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000174038688 441881738 /nfs/dbraw/zinc/88/17/38/441881738.db2.gz LEEUQAZTEGYNBL-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP COC(=O)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000124590122 441938467 /nfs/dbraw/zinc/93/84/67/441938467.db2.gz PFMIWHOWGTZZPP-UHFFFAOYSA-N 2 2 349.431 1.355 20 0 EDADLP CC(=O)NC1CCC([NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000161733718 442028803 /nfs/dbraw/zinc/02/88/03/442028803.db2.gz ZRCBUBBCJCCUJG-TUNPWDSISA-N 2 2 345.487 1.659 20 0 EDADLP CC(=O)NC1CCC([NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000161733718 442028807 /nfs/dbraw/zinc/02/88/07/442028807.db2.gz ZRCBUBBCJCCUJG-TUNPWDSISA-N 2 2 345.487 1.659 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)[NH+]1CCSCC1 ZINC000151234900 442029030 /nfs/dbraw/zinc/02/90/30/442029030.db2.gz QVNYPNFCMLZESK-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000175367094 442050149 /nfs/dbraw/zinc/05/01/49/442050149.db2.gz URBMKIYTWGGUSQ-UHFFFAOYSA-N 2 2 344.459 1.831 20 0 EDADLP CC[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000151400311 442055713 /nfs/dbraw/zinc/05/57/13/442055713.db2.gz IAJGNOWWUAIAEC-LZWOXQAQSA-N 2 2 334.464 1.652 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cnn(C)c1C(F)(F)F ZINC000162194094 442073394 /nfs/dbraw/zinc/07/33/94/442073394.db2.gz SVBUIUPSYRQVCV-UHFFFAOYSA-N 2 2 347.429 1.897 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cnn(C)c1C(F)(F)F ZINC000162194094 442073397 /nfs/dbraw/zinc/07/33/97/442073397.db2.gz SVBUIUPSYRQVCV-UHFFFAOYSA-N 2 2 347.429 1.897 20 0 EDADLP CN(CC[N@H+](C)Cc1cnn(C)c1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000162194094 442073405 /nfs/dbraw/zinc/07/34/05/442073405.db2.gz SVBUIUPSYRQVCV-UHFFFAOYSA-N 2 2 347.429 1.897 20 0 EDADLP CN(CC[N@@H+](C)Cc1cnn(C)c1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000162194094 442073407 /nfs/dbraw/zinc/07/34/07/442073407.db2.gz SVBUIUPSYRQVCV-UHFFFAOYSA-N 2 2 347.429 1.897 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000175532254 442081304 /nfs/dbraw/zinc/08/13/04/442081304.db2.gz UJUDOGDQKWSCDV-UHFFFAOYSA-N 3 2 339.528 1.184 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2cccc(F)c2)CC1 ZINC000175557933 442085575 /nfs/dbraw/zinc/08/55/75/442085575.db2.gz IQOPVJNBOSWTST-UHFFFAOYSA-N 2 2 336.455 1.693 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@H](C)C1 ZINC000175717233 442111424 /nfs/dbraw/zinc/11/14/24/442111424.db2.gz AXSFYGYQYJXMDX-YPMHNXCESA-N 2 2 335.477 1.622 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@H](C)C1 ZINC000175717233 442111427 /nfs/dbraw/zinc/11/14/27/442111427.db2.gz AXSFYGYQYJXMDX-YPMHNXCESA-N 2 2 335.477 1.622 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@H](C)C1 ZINC000175717233 442111432 /nfs/dbraw/zinc/11/14/32/442111432.db2.gz AXSFYGYQYJXMDX-YPMHNXCESA-N 2 2 335.477 1.622 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@H](C)C1 ZINC000175717233 442111435 /nfs/dbraw/zinc/11/14/35/442111435.db2.gz AXSFYGYQYJXMDX-YPMHNXCESA-N 2 2 335.477 1.622 20 0 EDADLP CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000120907050 442150078 /nfs/dbraw/zinc/15/00/78/442150078.db2.gz VHWZWHWQTBZCQQ-SFHVURJKSA-N 2 2 331.460 1.996 20 0 EDADLP CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000120907050 442150081 /nfs/dbraw/zinc/15/00/81/442150081.db2.gz VHWZWHWQTBZCQQ-SFHVURJKSA-N 2 2 331.460 1.996 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccc(OC(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000162540233 442102296 /nfs/dbraw/zinc/10/22/96/442102296.db2.gz IYKFARLWVSZMNK-ZDUSSCGKSA-N 2 2 327.375 1.322 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccc(OC(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000162540233 442102300 /nfs/dbraw/zinc/10/23/00/442102300.db2.gz IYKFARLWVSZMNK-ZDUSSCGKSA-N 2 2 327.375 1.322 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000121096404 442176312 /nfs/dbraw/zinc/17/63/12/442176312.db2.gz IETHNOGMEXZLPK-UHFFFAOYSA-N 2 2 347.303 1.577 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000121096404 442176317 /nfs/dbraw/zinc/17/63/17/442176317.db2.gz IETHNOGMEXZLPK-UHFFFAOYSA-N 2 2 347.303 1.577 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000127185946 442179333 /nfs/dbraw/zinc/17/93/33/442179333.db2.gz ZFBXULNUKRCAQD-HNNXBMFYSA-N 2 2 347.463 1.642 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000121174894 442187221 /nfs/dbraw/zinc/18/72/21/442187221.db2.gz SZVODLFKUVOUPM-CVEARBPZSA-N 2 2 343.475 1.976 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000121174894 442187226 /nfs/dbraw/zinc/18/72/26/442187226.db2.gz SZVODLFKUVOUPM-CVEARBPZSA-N 2 2 343.475 1.976 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000176289268 442206138 /nfs/dbraw/zinc/20/61/38/442206138.db2.gz FVRFOQLECRAMBU-APWZRJJASA-N 2 2 344.459 1.231 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000176289268 442206139 /nfs/dbraw/zinc/20/61/39/442206139.db2.gz FVRFOQLECRAMBU-APWZRJJASA-N 2 2 344.459 1.231 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000152450898 442214683 /nfs/dbraw/zinc/21/46/83/442214683.db2.gz FBVUZOHTMWMUTG-HNNXBMFYSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000152450898 442214686 /nfs/dbraw/zinc/21/46/86/442214686.db2.gz FBVUZOHTMWMUTG-HNNXBMFYSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000152450898 442214689 /nfs/dbraw/zinc/21/46/89/442214689.db2.gz FBVUZOHTMWMUTG-HNNXBMFYSA-N 2 2 339.480 1.062 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000152450898 442214691 /nfs/dbraw/zinc/21/46/91/442214691.db2.gz FBVUZOHTMWMUTG-HNNXBMFYSA-N 2 2 339.480 1.062 20 0 EDADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc2c(c1)OCO2 ZINC000168958165 442225327 /nfs/dbraw/zinc/22/53/27/442225327.db2.gz WOVRUZHVUZYQEN-MRXNPFEDSA-N 2 2 349.475 1.456 20 0 EDADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CSC[NH2+]3)c2)C[C@@H](C)O1 ZINC000169195535 442226112 /nfs/dbraw/zinc/22/61/12/442226112.db2.gz SRADQLJUZWQSNH-XJKCOSOUSA-N 2 2 335.473 1.897 20 0 EDADLP C[C@H](CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCCCC1 ZINC000458675591 447447943 /nfs/dbraw/zinc/44/79/43/447447943.db2.gz ZEKFDNWQUMUKIX-ZACQAIPSSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H](CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCCCC1 ZINC000458675591 447447950 /nfs/dbraw/zinc/44/79/50/447447950.db2.gz ZEKFDNWQUMUKIX-ZACQAIPSSA-N 2 2 338.496 1.413 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000170682894 442247926 /nfs/dbraw/zinc/24/79/26/442247926.db2.gz CYBIZPBZJDARHL-UHFFFAOYSA-N 2 2 346.475 1.228 20 0 EDADLP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000153437679 442282502 /nfs/dbraw/zinc/28/25/02/442282502.db2.gz ZJAYRVLLEJBMMU-INIZCTEOSA-N 2 2 342.443 1.742 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000128699098 442282638 /nfs/dbraw/zinc/28/26/38/442282638.db2.gz KRWVIAUIKXPVPU-BMGDILEWSA-N 2 2 348.466 1.722 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1)C1CC1 ZINC000177026707 442288131 /nfs/dbraw/zinc/28/81/31/442288131.db2.gz NHGNBBLSLHLYBS-UHFFFAOYSA-N 2 2 325.416 1.758 20 0 EDADLP COC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000128825641 442290351 /nfs/dbraw/zinc/29/03/51/442290351.db2.gz UGTFLGRLJKGFMO-INIZCTEOSA-N 2 2 332.448 1.135 20 0 EDADLP COc1ccccc1/C=C/C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177112500 442298530 /nfs/dbraw/zinc/29/85/30/442298530.db2.gz XIQUBQAOQZSPLE-CMDGGOBGSA-N 2 2 331.460 1.851 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)COc2cccc(C=O)c2)CC1 ZINC000177117165 442299112 /nfs/dbraw/zinc/29/91/12/442299112.db2.gz DZIDCYPCOLAHJF-UHFFFAOYSA-N 2 2 333.432 1.020 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000129667695 442327203 /nfs/dbraw/zinc/32/72/03/442327203.db2.gz POXJVKORWXPNKR-CVEARBPZSA-N 2 2 348.447 1.132 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000129667695 442327204 /nfs/dbraw/zinc/32/72/04/442327204.db2.gz POXJVKORWXPNKR-CVEARBPZSA-N 2 2 348.447 1.132 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)O1 ZINC000171233346 442331180 /nfs/dbraw/zinc/33/11/80/442331180.db2.gz SKVPICWLNQUBMP-OKILXGFUSA-N 2 2 344.463 1.689 20 0 EDADLP C[C@@H]1C[N@H+](CC2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H](C)O1 ZINC000171233346 442331183 /nfs/dbraw/zinc/33/11/83/442331183.db2.gz SKVPICWLNQUBMP-OKILXGFUSA-N 2 2 344.463 1.689 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177524411 442353081 /nfs/dbraw/zinc/35/30/81/442353081.db2.gz WQTUZQFNMKKZTE-UHFFFAOYSA-N 2 2 347.463 1.390 20 0 EDADLP CCCCCNC(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154023874 442316826 /nfs/dbraw/zinc/31/68/26/442316826.db2.gz VUUUMZMHQYDVGE-QZTJIDSGSA-N 2 2 338.540 1.783 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000177725559 442376757 /nfs/dbraw/zinc/37/67/57/442376757.db2.gz CRBBXRGPJHGBCR-DLBZAZTESA-N 2 2 336.524 1.393 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000177725559 442376759 /nfs/dbraw/zinc/37/67/59/442376759.db2.gz CRBBXRGPJHGBCR-DLBZAZTESA-N 2 2 336.524 1.393 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)n1 ZINC000155308364 442386708 /nfs/dbraw/zinc/38/67/08/442386708.db2.gz YEXPZNQHCQAKAR-CXAGYDPISA-N 2 2 333.480 1.687 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)n1 ZINC000155308364 442386710 /nfs/dbraw/zinc/38/67/10/442386710.db2.gz YEXPZNQHCQAKAR-CXAGYDPISA-N 2 2 333.480 1.687 20 0 EDADLP Cc1cc(N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nc(C)[nH+]1 ZINC000133352639 442413830 /nfs/dbraw/zinc/41/38/30/442413830.db2.gz YERWLHNNODANMC-AWEZNQCLSA-N 2 2 335.452 1.739 20 0 EDADLP Cc1cc(N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nc(C)[nH+]1 ZINC000133352639 442413833 /nfs/dbraw/zinc/41/38/33/442413833.db2.gz YERWLHNNODANMC-AWEZNQCLSA-N 2 2 335.452 1.739 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178214538 442415560 /nfs/dbraw/zinc/41/55/60/442415560.db2.gz DXCRVQGOZSZNOT-IRXDYDNUSA-N 2 2 336.524 1.393 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178214538 442415562 /nfs/dbraw/zinc/41/55/62/442415562.db2.gz DXCRVQGOZSZNOT-IRXDYDNUSA-N 2 2 336.524 1.393 20 0 EDADLP CC(C)S(=O)(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178219945 442416169 /nfs/dbraw/zinc/41/61/69/442416169.db2.gz KMTRDWBKJSGSNO-HOTGVXAUSA-N 2 2 346.537 1.631 20 0 EDADLP [NH3+]Cc1nc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)cs1 ZINC000178757567 442476417 /nfs/dbraw/zinc/47/64/17/442476417.db2.gz MVKBINBDHGVSGJ-UHFFFAOYSA-N 2 2 332.429 1.265 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156416259 442478549 /nfs/dbraw/zinc/47/85/49/442478549.db2.gz YMZCOSRKAQAXFO-AEFFLSMTSA-N 2 2 342.443 1.961 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000156416259 442478552 /nfs/dbraw/zinc/47/85/52/442478552.db2.gz YMZCOSRKAQAXFO-AEFFLSMTSA-N 2 2 342.443 1.961 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)[nH+]1 ZINC000156427321 442479504 /nfs/dbraw/zinc/47/95/04/442479504.db2.gz NGLKLNOILZDSJF-OAHLLOKOSA-N 2 2 339.443 1.934 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134901590 442534183 /nfs/dbraw/zinc/53/41/83/442534183.db2.gz KRHGIZIOQSKSNA-XJKCOSOUSA-N 2 2 334.464 1.312 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134901590 442534186 /nfs/dbraw/zinc/53/41/86/442534186.db2.gz KRHGIZIOQSKSNA-XJKCOSOUSA-N 2 2 334.464 1.312 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134901590 442534189 /nfs/dbraw/zinc/53/41/89/442534189.db2.gz KRHGIZIOQSKSNA-XJKCOSOUSA-N 2 2 334.464 1.312 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134901590 442534191 /nfs/dbraw/zinc/53/41/91/442534191.db2.gz KRHGIZIOQSKSNA-XJKCOSOUSA-N 2 2 334.464 1.312 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186457045 442537603 /nfs/dbraw/zinc/53/76/03/442537603.db2.gz VMCFRRXPWWPQAM-DNVCBOLYSA-N 2 2 333.476 1.905 20 0 EDADLP Cn1c[nH+]cc1CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000157132411 442552884 /nfs/dbraw/zinc/55/28/84/442552884.db2.gz OFZVNBLLTQIOLM-UHFFFAOYSA-N 2 2 327.432 1.349 20 0 EDADLP COCC1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000179283200 442612596 /nfs/dbraw/zinc/61/25/96/442612596.db2.gz AFMWMAUHZSIACY-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP COc1ccc(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000179300758 442616912 /nfs/dbraw/zinc/61/69/12/442616912.db2.gz ISWSMGAXCQCAFR-UHFFFAOYSA-N 2 2 348.491 1.863 20 0 EDADLP O=C1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1CC[NH+]1CCOCC1 ZINC000181035782 442676714 /nfs/dbraw/zinc/67/67/14/442676714.db2.gz XDQNLPBEMODKCU-ORPJZTTNSA-N 2 2 347.503 1.334 20 0 EDADLP CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)s1 ZINC000181089369 442680193 /nfs/dbraw/zinc/68/01/93/442680193.db2.gz SRIVGZKNMMGHAX-UHFFFAOYSA-N 2 2 336.465 1.894 20 0 EDADLP CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000181089369 442680194 /nfs/dbraw/zinc/68/01/94/442680194.db2.gz SRIVGZKNMMGHAX-UHFFFAOYSA-N 2 2 336.465 1.894 20 0 EDADLP CCCc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000187252700 442664309 /nfs/dbraw/zinc/66/43/09/442664309.db2.gz LQSLIZSONQCQJV-LJQANCHMSA-N 2 2 345.487 1.662 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cn3cccc(C)c3[nH+]2)C1(C)C ZINC000188194607 442722942 /nfs/dbraw/zinc/72/29/42/442722942.db2.gz AYPSNPNZFZRILZ-KSSFIOAISA-N 2 2 330.432 1.791 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cn3c(cccc3C)[nH+]2)C1(C)C ZINC000188194836 442723202 /nfs/dbraw/zinc/72/32/02/442723202.db2.gz GPUDPQIZTUXMME-RDTXWAMCSA-N 2 2 330.432 1.791 20 0 EDADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188076879 442708304 /nfs/dbraw/zinc/70/83/04/442708304.db2.gz UXPRUDQEDUECKX-XJKSGUPXSA-N 2 2 337.851 1.534 20 0 EDADLP CCc1cc(=O)[nH]c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000182584956 442790668 /nfs/dbraw/zinc/79/06/68/442790668.db2.gz DDLBNBNUWMMYNS-SJPCQFCGSA-N 2 2 345.491 1.487 20 0 EDADLP CCc1cc(=O)[nH]c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000182584956 442790672 /nfs/dbraw/zinc/79/06/72/442790672.db2.gz DDLBNBNUWMMYNS-SJPCQFCGSA-N 2 2 345.491 1.487 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1nccn1C ZINC000182616732 442795212 /nfs/dbraw/zinc/79/52/12/442795212.db2.gz GYUCHERBJKHYPE-MRXNPFEDSA-N 2 2 344.459 1.982 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193627037 442760959 /nfs/dbraw/zinc/76/09/59/442760959.db2.gz LVRLWEHWZRBKJP-LJIGWXMPSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193627037 442760961 /nfs/dbraw/zinc/76/09/61/442760961.db2.gz LVRLWEHWZRBKJP-LJIGWXMPSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193627037 442760963 /nfs/dbraw/zinc/76/09/63/442760963.db2.gz LVRLWEHWZRBKJP-LJIGWXMPSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193627037 442760964 /nfs/dbraw/zinc/76/09/64/442760964.db2.gz LVRLWEHWZRBKJP-LJIGWXMPSA-N 2 2 329.444 1.508 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000188590772 442766232 /nfs/dbraw/zinc/76/62/32/442766232.db2.gz JIOPUKVLFXYCJC-UHFFFAOYSA-N 2 2 349.479 1.401 20 0 EDADLP NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265449719 442776750 /nfs/dbraw/zinc/77/67/50/442776750.db2.gz BXMMJRQKTBDSQM-UHFFFAOYSA-N 2 2 327.388 1.327 20 0 EDADLP O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193940057 442815921 /nfs/dbraw/zinc/81/59/21/442815921.db2.gz IDVLMTKAGJUZQA-UHFFFAOYSA-N 2 2 341.415 1.413 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NC3CCCCC3)CC[C@H]21 ZINC000247495228 442858085 /nfs/dbraw/zinc/85/80/85/442858085.db2.gz ZYXASDZAJOZTID-GOEBONIOSA-N 2 2 336.480 1.561 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NC3CCCCC3)CC[C@H]21 ZINC000247495228 442858086 /nfs/dbraw/zinc/85/80/86/442858086.db2.gz ZYXASDZAJOZTID-GOEBONIOSA-N 2 2 336.480 1.561 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC(=O)NC3CCCCC3)CC[C@H]21 ZINC000247495228 442858087 /nfs/dbraw/zinc/85/80/87/442858087.db2.gz ZYXASDZAJOZTID-GOEBONIOSA-N 2 2 336.480 1.561 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CCCCC3)CC[C@H]21 ZINC000247495228 442858088 /nfs/dbraw/zinc/85/80/88/442858088.db2.gz ZYXASDZAJOZTID-GOEBONIOSA-N 2 2 336.480 1.561 20 0 EDADLP CN(C)c1cccc(CCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000194382959 442887076 /nfs/dbraw/zinc/88/70/76/442887076.db2.gz JXDZRWWYRBXBTM-UHFFFAOYSA-N 2 2 346.519 1.827 20 0 EDADLP C[C@@H]1COCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000194495262 442906864 /nfs/dbraw/zinc/90/68/64/442906864.db2.gz ARMPBNSICXYZNQ-SJORKVTESA-N 2 2 337.508 1.726 20 0 EDADLP CO[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC[C@@H]1C ZINC000189288372 442913204 /nfs/dbraw/zinc/91/32/04/442913204.db2.gz GZMNEMWOFYOLLK-RDJZCZTQSA-N 2 2 335.448 1.281 20 0 EDADLP CO[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC[C@@H]1C ZINC000189288372 442913207 /nfs/dbraw/zinc/91/32/07/442913207.db2.gz GZMNEMWOFYOLLK-RDJZCZTQSA-N 2 2 335.448 1.281 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000265786440 442920676 /nfs/dbraw/zinc/92/06/76/442920676.db2.gz HNBBFQGLGVCTNY-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP COC[C@H](C)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000187828818 318557102 /nfs/dbraw/zinc/55/71/02/318557102.db2.gz QQGPJVCXHYIMSU-HZPDHXFCSA-N 2 2 349.479 1.154 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000184003397 442981507 /nfs/dbraw/zinc/98/15/07/442981507.db2.gz MXAWMCVHJLJLRU-UHFFFAOYSA-N 2 2 327.432 1.976 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3nccs3)CC2)CC1 ZINC000195344308 443012130 /nfs/dbraw/zinc/01/21/30/443012130.db2.gz XJYZKOFDDFYWKA-UHFFFAOYSA-N 2 2 337.493 1.501 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917496 443029201 /nfs/dbraw/zinc/02/92/01/443029201.db2.gz GGTSDYVDUYSUPY-YOEHRIQHSA-N 2 2 328.416 1.506 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccncc2)[C@H](C)C1 ZINC000189993316 443044113 /nfs/dbraw/zinc/04/41/13/443044113.db2.gz BRFCKKKJVARTHL-WBVHZDCISA-N 2 2 334.464 1.747 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccncc2)[C@H](C)C1 ZINC000189993316 443044116 /nfs/dbraw/zinc/04/41/16/443044116.db2.gz BRFCKKKJVARTHL-WBVHZDCISA-N 2 2 334.464 1.747 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266211291 443058815 /nfs/dbraw/zinc/05/88/15/443058815.db2.gz JSSDMRSQDYJAAS-HNNXBMFYSA-N 2 2 341.415 1.062 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266211296 443058952 /nfs/dbraw/zinc/05/89/52/443058952.db2.gz JSSDMRSQDYJAAS-OAHLLOKOSA-N 2 2 341.415 1.062 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccncc1 ZINC000268659768 443067730 /nfs/dbraw/zinc/06/77/30/443067730.db2.gz RVFGQIUYOBGCJB-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccncc1 ZINC000268659768 443067736 /nfs/dbraw/zinc/06/77/36/443067736.db2.gz RVFGQIUYOBGCJB-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000253554334 443074068 /nfs/dbraw/zinc/07/40/68/443074068.db2.gz AMGCHJLFOXYGBQ-XHSDSOJGSA-N 2 2 348.466 1.545 20 0 EDADLP C[C@H]1CC[C@H](C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)O1 ZINC000190594551 443144515 /nfs/dbraw/zinc/14/45/15/443144515.db2.gz MUHZMOOWMOOGEG-JKSUJKDBSA-N 2 2 347.463 1.003 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255886706 443113294 /nfs/dbraw/zinc/11/32/94/443113294.db2.gz HFNCBKHBCXNYLH-DAXSKMNVSA-N 2 2 339.443 1.924 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000237516527 443175748 /nfs/dbraw/zinc/17/57/48/443175748.db2.gz KTRSKKGJKWJESM-ZACQAIPSSA-N 2 2 349.500 1.179 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000237516527 443175751 /nfs/dbraw/zinc/17/57/51/443175751.db2.gz KTRSKKGJKWJESM-ZACQAIPSSA-N 2 2 349.500 1.179 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC[N@@H+]1C ZINC000185344972 443186651 /nfs/dbraw/zinc/18/66/51/443186651.db2.gz IXAHXJGHMTUHSM-UHOSZYNNSA-N 2 2 345.487 1.529 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC[N@H+]1C ZINC000185344972 443186653 /nfs/dbraw/zinc/18/66/53/443186653.db2.gz IXAHXJGHMTUHSM-UHOSZYNNSA-N 2 2 345.487 1.529 20 0 EDADLP O=C(C[NH2+]C[C@H]1CCCO1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000237930374 443188833 /nfs/dbraw/zinc/18/88/33/443188833.db2.gz GNQPHGNPEYATQP-QGZVFWFLSA-N 2 2 342.443 1.359 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236809682 443148847 /nfs/dbraw/zinc/14/88/47/443148847.db2.gz OSOQOWCXKMBIFH-SFHVURJKSA-N 2 2 331.460 1.443 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)cc(OC)c1 ZINC000269252117 443251390 /nfs/dbraw/zinc/25/13/90/443251390.db2.gz HNGOOLIZSBDGRF-QGZVFWFLSA-N 2 2 335.448 1.331 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](C(COC)COC)CC1 ZINC000413470430 319269500 /nfs/dbraw/zinc/26/95/00/319269500.db2.gz CXVQKRYIHFKQLH-UHFFFAOYSA-N 2 2 337.420 1.042 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)c1 ZINC000414666180 319338145 /nfs/dbraw/zinc/33/81/45/319338145.db2.gz WKMYMSIATSEUEN-UHFFFAOYSA-N 2 2 341.415 1.358 20 0 EDADLP CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414673228 319339322 /nfs/dbraw/zinc/33/93/22/319339322.db2.gz CRDIFSJMEDCHEO-UHFFFAOYSA-N 2 2 334.445 1.961 20 0 EDADLP CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414673228 319339323 /nfs/dbraw/zinc/33/93/23/319339323.db2.gz CRDIFSJMEDCHEO-UHFFFAOYSA-N 2 2 334.445 1.961 20 0 EDADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)C[C@@H]1[NH3+] ZINC000415837372 319376781 /nfs/dbraw/zinc/37/67/81/319376781.db2.gz KOJBKWBLZXRUDY-GWCFXTLKSA-N 2 2 341.415 1.195 20 0 EDADLP [NH3+]CC[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C(F)(F)F ZINC000415998811 319388700 /nfs/dbraw/zinc/38/87/00/319388700.db2.gz VANYNJZUKYEBCV-ZDUSSCGKSA-N 2 2 341.337 1.951 20 0 EDADLP CC[N@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000266870582 443274215 /nfs/dbraw/zinc/27/42/15/443274215.db2.gz POMMPEPTQMUWIU-UHFFFAOYSA-N 2 2 349.475 1.044 20 0 EDADLP CC[N@@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000266870582 443274220 /nfs/dbraw/zinc/27/42/20/443274220.db2.gz POMMPEPTQMUWIU-UHFFFAOYSA-N 2 2 349.475 1.044 20 0 EDADLP Cn1ccnc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000264466206 443302151 /nfs/dbraw/zinc/30/21/51/443302151.db2.gz HWFYGPHQQUOHBG-QGZVFWFLSA-N 2 2 341.459 1.407 20 0 EDADLP Cn1ccnc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000264466206 443302154 /nfs/dbraw/zinc/30/21/54/443302154.db2.gz HWFYGPHQQUOHBG-QGZVFWFLSA-N 2 2 341.459 1.407 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000416888056 319469389 /nfs/dbraw/zinc/46/93/89/319469389.db2.gz PMIAXZLGVWEXRH-JQHSSLGASA-N 2 2 346.475 1.499 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C(F)F ZINC000416948400 319483274 /nfs/dbraw/zinc/48/32/74/319483274.db2.gz YZDYIGORVVLOFB-SNVBAGLBSA-N 2 2 331.754 1.769 20 0 EDADLP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000269502311 443328475 /nfs/dbraw/zinc/32/84/75/443328475.db2.gz CRSWBLBQALPARV-LJQANCHMSA-N 2 2 344.503 1.648 20 0 EDADLP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000269502311 443328478 /nfs/dbraw/zinc/32/84/78/443328478.db2.gz CRSWBLBQALPARV-LJQANCHMSA-N 2 2 344.503 1.648 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000267063161 443330022 /nfs/dbraw/zinc/33/00/22/443330022.db2.gz GZZFVVSWUZNYJP-KRWDZBQOSA-N 2 2 327.432 1.323 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000264446916 443295628 /nfs/dbraw/zinc/29/56/28/443295628.db2.gz RQAUYTQRAVSZCK-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000264446916 443295632 /nfs/dbraw/zinc/29/56/32/443295632.db2.gz RQAUYTQRAVSZCK-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000264446916 443295636 /nfs/dbraw/zinc/29/56/36/443295636.db2.gz RQAUYTQRAVSZCK-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000264446916 443295639 /nfs/dbraw/zinc/29/56/39/443295639.db2.gz RQAUYTQRAVSZCK-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000266937879 443296256 /nfs/dbraw/zinc/29/62/56/443296256.db2.gz QGRFBBLYZRBWIU-UHFFFAOYSA-N 2 2 332.379 1.748 20 0 EDADLP CCCNC(=O)c1ccc(NCC[NH+]2CCC([NH+](C)C)CC2)nc1 ZINC000267186120 443370819 /nfs/dbraw/zinc/37/08/19/443370819.db2.gz LJFRDDJGLAACOQ-UHFFFAOYSA-N 2 2 333.480 1.659 20 0 EDADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)nn1C ZINC000421322751 319689226 /nfs/dbraw/zinc/68/92/26/319689226.db2.gz FGHQECRUWPSXJJ-UHFFFAOYSA-N 2 2 348.882 1.819 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000267414393 443449219 /nfs/dbraw/zinc/44/92/19/443449219.db2.gz JARRWHMYTXRVCW-HUUCEWRRSA-N 2 2 348.447 1.391 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000267414393 443449224 /nfs/dbraw/zinc/44/92/24/443449224.db2.gz JARRWHMYTXRVCW-HUUCEWRRSA-N 2 2 348.447 1.391 20 0 EDADLP CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422935597 319739602 /nfs/dbraw/zinc/73/96/02/319739602.db2.gz LCIVXHCBERTCNH-HOTGVXAUSA-N 2 2 325.478 1.394 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000422951546 319740959 /nfs/dbraw/zinc/74/09/59/319740959.db2.gz YZJFMEPMLRBMKB-LPHOPBHVSA-N 2 2 341.455 1.753 20 0 EDADLP C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000273018423 443519935 /nfs/dbraw/zinc/51/99/35/443519935.db2.gz TVNUMZGYFYEXJF-INIZCTEOSA-N 2 2 343.471 1.899 20 0 EDADLP C[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000273018423 443519938 /nfs/dbraw/zinc/51/99/38/443519938.db2.gz TVNUMZGYFYEXJF-INIZCTEOSA-N 2 2 343.471 1.899 20 0 EDADLP C[C@H]([NH3+])CCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423751002 319810938 /nfs/dbraw/zinc/81/09/38/319810938.db2.gz UKTXUSZVTKRLSQ-ZDUSSCGKSA-N 2 2 349.866 1.759 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[N@@H+]1CCOC ZINC000265379570 443622710 /nfs/dbraw/zinc/62/27/10/443622710.db2.gz PHRPPBSNVAFVIS-MRXNPFEDSA-N 2 2 349.479 1.400 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[N@H+]1CCOC ZINC000265379570 443622712 /nfs/dbraw/zinc/62/27/12/443622712.db2.gz PHRPPBSNVAFVIS-MRXNPFEDSA-N 2 2 349.479 1.400 20 0 EDADLP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000275359257 443626499 /nfs/dbraw/zinc/62/64/99/443626499.db2.gz AVNFSJIOOJWDNF-RDJZCZTQSA-N 2 2 327.432 1.904 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000265393848 443626765 /nfs/dbraw/zinc/62/67/65/443626765.db2.gz PSIYGRQOLVWDEY-UHFFFAOYSA-N 2 2 327.388 1.021 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000265393848 443626767 /nfs/dbraw/zinc/62/67/67/443626767.db2.gz PSIYGRQOLVWDEY-UHFFFAOYSA-N 2 2 327.388 1.021 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000279700711 443620681 /nfs/dbraw/zinc/62/06/81/443620681.db2.gz RCPARPODESXKRJ-UHFFFAOYSA-N 2 2 334.370 1.930 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000434005595 319991928 /nfs/dbraw/zinc/99/19/28/319991928.db2.gz YJHZDLDDSXNOKN-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccc(F)cc1 ZINC000434869529 320005711 /nfs/dbraw/zinc/00/57/11/320005711.db2.gz POAABVNQYPLWEW-HOCLYGCPSA-N 2 2 348.447 1.860 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](CCO)C2CCC2)CC1 ZINC000439276238 320044165 /nfs/dbraw/zinc/04/41/65/320044165.db2.gz OMZQRQZGSKMLFA-QGZVFWFLSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](CCO)C2CCC2)CC1 ZINC000439276238 320044167 /nfs/dbraw/zinc/04/41/67/320044167.db2.gz OMZQRQZGSKMLFA-QGZVFWFLSA-N 2 2 345.487 1.739 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@@H]3C)ccc2[nH+]1 ZINC000439342283 320044956 /nfs/dbraw/zinc/04/49/56/320044956.db2.gz GOWDBHUXCMEXFE-ZDUSSCGKSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](C)CC[C@@H]3C)ccc2[nH+]1 ZINC000439342283 320044958 /nfs/dbraw/zinc/04/49/58/320044958.db2.gz GOWDBHUXCMEXFE-ZDUSSCGKSA-N 2 2 329.404 1.134 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444201119 320120246 /nfs/dbraw/zinc/12/02/46/320120246.db2.gz SVPZXXOANSZMCV-AOIWGVFYSA-N 2 2 329.444 1.003 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444201119 320120248 /nfs/dbraw/zinc/12/02/48/320120248.db2.gz SVPZXXOANSZMCV-AOIWGVFYSA-N 2 2 329.444 1.003 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450233851 320215565 /nfs/dbraw/zinc/21/55/65/320215565.db2.gz PZYIEPSRKBZRKV-SFHVURJKSA-N 2 2 338.540 1.735 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450233851 320215567 /nfs/dbraw/zinc/21/55/67/320215567.db2.gz PZYIEPSRKBZRKV-SFHVURJKSA-N 2 2 338.540 1.735 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC000459515622 320348398 /nfs/dbraw/zinc/34/83/98/320348398.db2.gz AJLHQAXDYLIMTN-LJQANCHMSA-N 2 2 345.487 1.644 20 0 EDADLP CON1CCC([N@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000459595170 320348706 /nfs/dbraw/zinc/34/87/06/320348706.db2.gz ZRSLUFNSGIGVDL-KRWDZBQOSA-N 2 2 346.475 1.972 20 0 EDADLP CON1CCC([N@@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000459595170 320348707 /nfs/dbraw/zinc/34/87/07/320348707.db2.gz ZRSLUFNSGIGVDL-KRWDZBQOSA-N 2 2 346.475 1.972 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000492830827 320387948 /nfs/dbraw/zinc/38/79/48/320387948.db2.gz KWALYJNOUNUMMP-YVACAVLKSA-N 2 2 334.464 1.467 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492867361 320389917 /nfs/dbraw/zinc/38/99/17/320389917.db2.gz REDTZDQAXHEFJA-ILNYKDOHSA-N 2 2 331.464 1.440 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000493667132 320397040 /nfs/dbraw/zinc/39/70/40/320397040.db2.gz YKLUAVWSUCJMGF-VFQAQYNWSA-N 2 2 332.354 1.999 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(F)ccc(O)c3F)C2)CC1 ZINC000283713457 443696498 /nfs/dbraw/zinc/69/64/98/443696498.db2.gz AJSNIRDYSIUBTJ-CYBMUJFWSA-N 2 2 325.403 1.882 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)CC1 ZINC000283713457 443696500 /nfs/dbraw/zinc/69/65/00/443696500.db2.gz AJSNIRDYSIUBTJ-CYBMUJFWSA-N 2 2 325.403 1.882 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c(C)[nH+]1 ZINC000520200984 320475275 /nfs/dbraw/zinc/47/52/75/320475275.db2.gz MILCKGSXMSUMRW-MRXNPFEDSA-N 2 2 344.459 1.874 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000288086705 443767382 /nfs/dbraw/zinc/76/73/82/443767382.db2.gz SKNLQTKZCMXULT-HNNXBMFYSA-N 2 2 334.464 1.473 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000276656225 443780520 /nfs/dbraw/zinc/78/05/20/443780520.db2.gz XGFDZYZMJUUCRY-UHFFFAOYSA-N 2 2 329.404 1.492 20 0 EDADLP C[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000298646045 443828485 /nfs/dbraw/zinc/82/84/85/443828485.db2.gz KKQWTPDWGRNXRP-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP C[N@H+]1CCCN(C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000298646045 443828488 /nfs/dbraw/zinc/82/84/88/443828488.db2.gz KKQWTPDWGRNXRP-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP C[NH+]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000298646045 443828492 /nfs/dbraw/zinc/82/84/92/443828492.db2.gz KKQWTPDWGRNXRP-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP C[NH+]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000298646045 443828495 /nfs/dbraw/zinc/82/84/95/443828495.db2.gz KKQWTPDWGRNXRP-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP COCc1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530240017 320616821 /nfs/dbraw/zinc/61/68/21/320616821.db2.gz JQANFPRSCHHCCJ-OAHLLOKOSA-N 2 2 325.478 1.880 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531909011 320668663 /nfs/dbraw/zinc/66/86/63/320668663.db2.gz AHZCZQMOEVBRHX-OAGGEKHMSA-N 2 2 335.452 1.214 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C[NH+](C)C ZINC000281223326 443852219 /nfs/dbraw/zinc/85/22/19/443852219.db2.gz NTVLTWVYHWLBKY-STQMWFEESA-N 2 2 328.457 1.384 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)C[NH+](C)C ZINC000281223326 443852224 /nfs/dbraw/zinc/85/22/24/443852224.db2.gz NTVLTWVYHWLBKY-STQMWFEESA-N 2 2 328.457 1.384 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298736657 443854581 /nfs/dbraw/zinc/85/45/81/443854581.db2.gz VOYFMAMNOPGOKG-CYBMUJFWSA-N 2 2 329.404 1.073 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298736657 443854585 /nfs/dbraw/zinc/85/45/85/443854585.db2.gz VOYFMAMNOPGOKG-CYBMUJFWSA-N 2 2 329.404 1.073 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281308590 443875316 /nfs/dbraw/zinc/87/53/16/443875316.db2.gz KLBQCNZOYBWKAZ-INIZCTEOSA-N 2 2 346.475 1.819 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281308590 443875319 /nfs/dbraw/zinc/87/53/19/443875319.db2.gz KLBQCNZOYBWKAZ-INIZCTEOSA-N 2 2 346.475 1.819 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293027695 443906791 /nfs/dbraw/zinc/90/67/91/443906791.db2.gz RGHCMFZJKAJVMI-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293027695 443906796 /nfs/dbraw/zinc/90/67/96/443906796.db2.gz RGHCMFZJKAJVMI-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293027695 443906800 /nfs/dbraw/zinc/90/68/00/443906800.db2.gz RGHCMFZJKAJVMI-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293027695 443906804 /nfs/dbraw/zinc/90/68/04/443906804.db2.gz RGHCMFZJKAJVMI-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000288527153 443908829 /nfs/dbraw/zinc/90/88/29/443908829.db2.gz UJOAPKVNMHURQM-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000288527153 443908845 /nfs/dbraw/zinc/90/88/45/443908845.db2.gz UJOAPKVNMHURQM-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCn3cnc4ccccc4c3=O)C2)C1 ZINC000293067074 443916874 /nfs/dbraw/zinc/91/68/74/443916874.db2.gz VCTXSTHBPSXHMI-IBGZPJMESA-N 2 2 326.444 1.814 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CCn3cnc4ccccc4c3=O)C2)C1 ZINC000293067074 443916878 /nfs/dbraw/zinc/91/68/78/443916878.db2.gz VCTXSTHBPSXHMI-IBGZPJMESA-N 2 2 326.444 1.814 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CCn3cnc4ccccc4c3=O)C2)C1 ZINC000293067074 443916882 /nfs/dbraw/zinc/91/68/82/443916882.db2.gz VCTXSTHBPSXHMI-IBGZPJMESA-N 2 2 326.444 1.814 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCn3cnc4ccccc4c3=O)C2)C1 ZINC000293067074 443916884 /nfs/dbraw/zinc/91/68/84/443916884.db2.gz VCTXSTHBPSXHMI-IBGZPJMESA-N 2 2 326.444 1.814 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccco2)CC1)C[NH+]1CCCC1 ZINC000298969899 443917143 /nfs/dbraw/zinc/91/71/43/443917143.db2.gz ODAMRINAFKSUKD-INIZCTEOSA-N 2 2 334.464 1.839 20 0 EDADLP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000277179148 443929656 /nfs/dbraw/zinc/92/96/56/443929656.db2.gz SDRWHVIEDXKDBD-UHFFFAOYSA-N 2 2 336.436 1.148 20 0 EDADLP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000277179148 443929660 /nfs/dbraw/zinc/92/96/60/443929660.db2.gz SDRWHVIEDXKDBD-UHFFFAOYSA-N 2 2 336.436 1.148 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000547540064 320832298 /nfs/dbraw/zinc/83/22/98/320832298.db2.gz HJYDYOLTFFRLAG-UHFFFAOYSA-N 2 2 328.416 1.186 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000288828519 443993267 /nfs/dbraw/zinc/99/32/67/443993267.db2.gz UUPYSAXYURLVEQ-OAHLLOKOSA-N 2 2 349.431 1.046 20 0 EDADLP CC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H]1CCNC1=O ZINC000281985589 444055383 /nfs/dbraw/zinc/05/53/83/444055383.db2.gz WOVQLWQZXVICSK-GOEBONIOSA-N 2 2 330.432 1.224 20 0 EDADLP CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H]1CCNC1=O ZINC000281985589 444055386 /nfs/dbraw/zinc/05/53/86/444055386.db2.gz WOVQLWQZXVICSK-GOEBONIOSA-N 2 2 330.432 1.224 20 0 EDADLP COc1c(C)c[nH+]c(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1C ZINC000299483414 444058440 /nfs/dbraw/zinc/05/84/40/444058440.db2.gz AGPBNDVJJYATBC-UHFFFAOYSA-N 2 2 346.475 1.447 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N[C@H]1CCOc2ccccc21 ZINC000561284593 321038827 /nfs/dbraw/zinc/03/88/27/321038827.db2.gz LHANCAMXOMWGEH-QFBILLFUSA-N 2 2 329.444 1.702 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N[C@H]1CCOc2ccccc21 ZINC000561284593 321038828 /nfs/dbraw/zinc/03/88/28/321038828.db2.gz LHANCAMXOMWGEH-QFBILLFUSA-N 2 2 329.444 1.702 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C(=O)NCC[C@H]3C)c2cc1C ZINC000562515565 321060679 /nfs/dbraw/zinc/06/06/79/321060679.db2.gz OHXJGHZHVMZFEI-ZLENFMNRSA-N 2 2 330.432 1.128 20 0 EDADLP FC(F)(F)COc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000562958530 321083836 /nfs/dbraw/zinc/08/38/36/321083836.db2.gz MDAQLRITRHXXQO-UKRRQHHQSA-N 2 2 345.365 1.879 20 0 EDADLP C[C@](O)(C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(F)(F)F ZINC000562988778 321085198 /nfs/dbraw/zinc/08/51/98/321085198.db2.gz SKRYAIYYKRYKTP-HNNXBMFYSA-N 2 2 332.366 1.922 20 0 EDADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000563101441 321095664 /nfs/dbraw/zinc/09/56/64/321095664.db2.gz CVXKPIREARTIQG-INIZCTEOSA-N 2 2 335.496 1.464 20 0 EDADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563101527 321095697 /nfs/dbraw/zinc/09/56/97/321095697.db2.gz HQGCWDWBDXVQCE-WFASDCNBSA-N 2 2 343.393 1.985 20 0 EDADLP C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563101527 321095698 /nfs/dbraw/zinc/09/56/98/321095698.db2.gz HQGCWDWBDXVQCE-WFASDCNBSA-N 2 2 343.393 1.985 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150075 321099598 /nfs/dbraw/zinc/09/95/98/321099598.db2.gz YCJNASVTHDYPEP-SCLBCKFNSA-N 2 2 331.416 1.818 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150075 321099599 /nfs/dbraw/zinc/09/95/99/321099599.db2.gz YCJNASVTHDYPEP-SCLBCKFNSA-N 2 2 331.416 1.818 20 0 EDADLP C[C@@H](CC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)n1cc[nH+]c1 ZINC000563239305 321103214 /nfs/dbraw/zinc/10/32/14/321103214.db2.gz MSFOWXRZVMHHRJ-KSZLIROESA-N 2 2 347.507 1.851 20 0 EDADLP C[C@@H](CC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)n1cc[nH+]c1 ZINC000563239305 321103215 /nfs/dbraw/zinc/10/32/15/321103215.db2.gz MSFOWXRZVMHHRJ-KSZLIROESA-N 2 2 347.507 1.851 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000563603956 321111665 /nfs/dbraw/zinc/11/16/65/321111665.db2.gz DHCIKLRWOYEXPI-KWOWKCNFSA-N 2 2 346.479 1.143 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)COCc1cccs1)C[NH+]1CCOCC1 ZINC000564853169 321151419 /nfs/dbraw/zinc/15/14/19/321151419.db2.gz BBCGLSZGDUBQPJ-CABCVRRESA-N 2 2 328.478 1.184 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)CCC[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000564957271 321160727 /nfs/dbraw/zinc/16/07/27/321160727.db2.gz JVKRDNPVLUGFSK-LSDHHAIUSA-N 2 2 336.455 1.580 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC12CC[NH2+]CC2 ZINC000564991852 321163293 /nfs/dbraw/zinc/16/32/93/321163293.db2.gz PBDGQEKFHWZPRF-OAGGEKHMSA-N 3 2 345.491 1.229 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000565246868 321179150 /nfs/dbraw/zinc/17/91/50/321179150.db2.gz QEOFTTUVHDRPTQ-UHFFFAOYSA-N 2 2 329.404 1.262 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)cn2)CC1 ZINC000565367417 321184223 /nfs/dbraw/zinc/18/42/23/321184223.db2.gz MCADOXFVSVQBKO-AWEZNQCLSA-N 2 2 340.431 1.231 20 0 EDADLP C[N@@H+]1CCc2nc(NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)sc2C1 ZINC000566146779 321219659 /nfs/dbraw/zinc/21/96/59/321219659.db2.gz KALRTERFVVVJAX-GFCCVEGCSA-N 2 2 346.460 1.504 20 0 EDADLP C[N@H+]1CCc2nc(NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)sc2C1 ZINC000566146779 321219660 /nfs/dbraw/zinc/21/96/60/321219660.db2.gz KALRTERFVVVJAX-GFCCVEGCSA-N 2 2 346.460 1.504 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000566417907 321229275 /nfs/dbraw/zinc/22/92/75/321229275.db2.gz ZZOROKMIGGXTIQ-CRAIPNDOSA-N 2 2 332.448 1.462 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000566417907 321229276 /nfs/dbraw/zinc/22/92/76/321229276.db2.gz ZZOROKMIGGXTIQ-CRAIPNDOSA-N 2 2 332.448 1.462 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000567120659 321241634 /nfs/dbraw/zinc/24/16/34/321241634.db2.gz IKKRFIMDJMZOMA-ZWKOTPCHSA-N 2 2 333.476 1.584 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000567120659 321241636 /nfs/dbraw/zinc/24/16/36/321241636.db2.gz IKKRFIMDJMZOMA-ZWKOTPCHSA-N 2 2 333.476 1.584 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000567120659 321241637 /nfs/dbraw/zinc/24/16/37/321241637.db2.gz IKKRFIMDJMZOMA-ZWKOTPCHSA-N 2 2 333.476 1.584 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000567120659 321241639 /nfs/dbraw/zinc/24/16/39/321241639.db2.gz IKKRFIMDJMZOMA-ZWKOTPCHSA-N 2 2 333.476 1.584 20 0 EDADLP CC(C)C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)NCC[NH+](C)C ZINC000567477325 321243518 /nfs/dbraw/zinc/24/35/18/321243518.db2.gz MOGMQOWHUCOKRD-GJZGRUSLSA-N 2 2 337.468 1.043 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000567689151 321252739 /nfs/dbraw/zinc/25/27/39/321252739.db2.gz DEXHNAZHEKJSPE-GDBMZVCRSA-N 2 2 326.412 1.123 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H]2COc3ccccc3C2)C1=O ZINC000568739343 321303738 /nfs/dbraw/zinc/30/37/38/321303738.db2.gz GHTZYMXKFZYQJO-JKSUJKDBSA-N 2 2 340.427 1.504 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCC[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000570813230 321359714 /nfs/dbraw/zinc/35/97/14/321359714.db2.gz IXVAAPRIXKETEA-OKILXGFUSA-N 2 2 335.452 1.185 20 0 EDADLP CN(C)C(=O)N1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000571430090 321386639 /nfs/dbraw/zinc/38/66/39/321386639.db2.gz UDSUQLBMTMERDU-UHFFFAOYSA-N 2 2 346.475 1.318 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000299682331 444114402 /nfs/dbraw/zinc/11/44/02/444114402.db2.gz XSQDNUPIAPBNPX-QGZVFWFLSA-N 2 2 327.432 1.890 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000299682331 444114405 /nfs/dbraw/zinc/11/44/05/444114405.db2.gz XSQDNUPIAPBNPX-QGZVFWFLSA-N 2 2 327.432 1.890 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285877212 444138590 /nfs/dbraw/zinc/13/85/90/444138590.db2.gz ZHSBMFNFLADUIQ-INIZCTEOSA-N 2 2 339.480 1.965 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285877212 444138594 /nfs/dbraw/zinc/13/85/94/444138594.db2.gz ZHSBMFNFLADUIQ-INIZCTEOSA-N 2 2 339.480 1.965 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285877212 444138596 /nfs/dbraw/zinc/13/85/96/444138596.db2.gz ZHSBMFNFLADUIQ-INIZCTEOSA-N 2 2 339.480 1.965 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285877212 444138599 /nfs/dbraw/zinc/13/85/99/444138599.db2.gz ZHSBMFNFLADUIQ-INIZCTEOSA-N 2 2 339.480 1.965 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nn1 ZINC000294983251 444163144 /nfs/dbraw/zinc/16/31/44/444163144.db2.gz GLFOSPFAZKGHEI-UHFFFAOYSA-N 2 2 343.431 1.337 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccncc3)C2)CC1 ZINC000289391004 444127910 /nfs/dbraw/zinc/12/79/10/444127910.db2.gz QYLBXXBRDJWCGW-SJLPKXTDSA-N 2 2 330.476 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccncc3)C2)CC1 ZINC000289391004 444127912 /nfs/dbraw/zinc/12/79/12/444127912.db2.gz QYLBXXBRDJWCGW-SJLPKXTDSA-N 2 2 330.476 1.814 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1=CC[N@H+](C)CC1 ZINC000289821589 444207489 /nfs/dbraw/zinc/20/74/89/444207489.db2.gz TZKMMGZNASDQBX-UKRRQHHQSA-N 2 2 345.447 1.230 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000289821589 444207491 /nfs/dbraw/zinc/20/74/91/444207491.db2.gz TZKMMGZNASDQBX-UKRRQHHQSA-N 2 2 345.447 1.230 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301472451 444173713 /nfs/dbraw/zinc/17/37/13/444173713.db2.gz QAVLRDSSCDOCKF-HOTGVXAUSA-N 2 2 333.480 1.606 20 0 EDADLP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295928918 444194752 /nfs/dbraw/zinc/19/47/52/444194752.db2.gz KEAJTLMGCCZDCH-CVEARBPZSA-N 2 2 337.464 1.778 20 0 EDADLP CCCCOC[C@H](O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295928918 444194754 /nfs/dbraw/zinc/19/47/54/444194754.db2.gz KEAJTLMGCCZDCH-CVEARBPZSA-N 2 2 337.464 1.778 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc[nH+]1 ZINC000302082464 444203654 /nfs/dbraw/zinc/20/36/54/444203654.db2.gz CRCZKGHWIHWNGM-CVEARBPZSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[N@H+]3CCCC[C@@H]3C2)nc[nH+]1 ZINC000302082464 444203656 /nfs/dbraw/zinc/20/36/56/444203656.db2.gz CRCZKGHWIHWNGM-CVEARBPZSA-N 2 2 331.464 1.502 20 0 EDADLP Cc1cc[nH+]cc1CCCNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000290230957 444256768 /nfs/dbraw/zinc/25/67/68/444256768.db2.gz FXHUVGYVHSPHCM-UHFFFAOYSA-N 2 2 329.448 1.963 20 0 EDADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000305204995 444264806 /nfs/dbraw/zinc/26/48/06/444264806.db2.gz CHZDQCFRBGAZGW-LJQANCHMSA-N 2 2 330.476 1.950 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC000290357320 444271495 /nfs/dbraw/zinc/27/14/95/444271495.db2.gz OQIQVEROCHTIPT-UHFFFAOYSA-N 2 2 341.415 1.234 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000290084213 444240379 /nfs/dbraw/zinc/24/03/79/444240379.db2.gz WIGCBSCGLOOUAK-BZSNNMDCSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cn21 ZINC000577367217 321646096 /nfs/dbraw/zinc/64/60/96/321646096.db2.gz IQJPUMLWIPHSFE-SFHVURJKSA-N 2 2 327.432 1.928 20 0 EDADLP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000577390654 321649175 /nfs/dbraw/zinc/64/91/75/321649175.db2.gz JZDVJGHPCWYWIL-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000315816321 444306930 /nfs/dbraw/zinc/30/69/30/444306930.db2.gz BGQBQAYEWVMWBY-UHFFFAOYSA-N 2 2 345.274 1.769 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000315816321 444306932 /nfs/dbraw/zinc/30/69/32/444306932.db2.gz BGQBQAYEWVMWBY-UHFFFAOYSA-N 2 2 345.274 1.769 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000297105124 444274975 /nfs/dbraw/zinc/27/49/75/444274975.db2.gz WUBKGQZFYLQGQN-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000297105124 444274978 /nfs/dbraw/zinc/27/49/78/444274978.db2.gz WUBKGQZFYLQGQN-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP C[N@H+](Cc1c[nH]c2nccnc12)C1CC[NH+](CCn2cccn2)CC1 ZINC000290551734 444294349 /nfs/dbraw/zinc/29/43/49/444294349.db2.gz WTAGBNKZIHHVKM-UHFFFAOYSA-N 2 2 339.447 1.751 20 0 EDADLP C[N@@H+](Cc1c[nH]c2nccnc12)C1CC[NH+](CCn2cccn2)CC1 ZINC000290551734 444294350 /nfs/dbraw/zinc/29/43/50/444294350.db2.gz WTAGBNKZIHHVKM-UHFFFAOYSA-N 2 2 339.447 1.751 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000290851709 444330582 /nfs/dbraw/zinc/33/05/82/444330582.db2.gz IBCWKNWIUZAXKD-RHSMWYFYSA-N 2 2 342.443 1.666 20 0 EDADLP CCCCc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000327112284 444380574 /nfs/dbraw/zinc/38/05/74/444380574.db2.gz GUGFXSXRNGGJGO-LSDHHAIUSA-N 2 2 349.479 1.492 20 0 EDADLP CCCCc1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000327112284 444380579 /nfs/dbraw/zinc/38/05/79/444380579.db2.gz GUGFXSXRNGGJGO-LSDHHAIUSA-N 2 2 349.479 1.492 20 0 EDADLP CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000328897837 444392784 /nfs/dbraw/zinc/39/27/84/444392784.db2.gz XOXAYOAOIMOTOX-CVEARBPZSA-N 2 2 344.521 1.577 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340713766 444486076 /nfs/dbraw/zinc/48/60/76/444486076.db2.gz OCCHULZQZAGPJV-BZUAXINKSA-N 2 2 333.480 1.435 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340713768 444486242 /nfs/dbraw/zinc/48/62/42/444486242.db2.gz OCCHULZQZAGPJV-OAGGEKHMSA-N 2 2 333.480 1.435 20 0 EDADLP O=C(N1CCc2c([nH+]cn2CCc2ccccc2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000580062576 322002991 /nfs/dbraw/zinc/00/29/91/322002991.db2.gz ARCCEUFEXZSBBK-UZLBHIALSA-N 2 2 336.439 1.763 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)c[nH+]2)CCO1 ZINC000580171673 322017359 /nfs/dbraw/zinc/01/73/59/322017359.db2.gz NBKSMVUWOYYINP-LZWOXQAQSA-N 2 2 347.463 1.104 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000338052623 444500505 /nfs/dbraw/zinc/50/05/05/444500505.db2.gz DORHHQUELCDFOL-UHFFFAOYSA-N 2 2 343.475 1.561 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000338052623 444500508 /nfs/dbraw/zinc/50/05/08/444500508.db2.gz DORHHQUELCDFOL-UHFFFAOYSA-N 2 2 343.475 1.561 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCC[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000580449249 322053434 /nfs/dbraw/zinc/05/34/34/322053434.db2.gz KGZJCZHZMCQDGA-INIZCTEOSA-N 2 2 339.867 1.516 20 0 EDADLP COC[C@]1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC[NH2+]1 ZINC000580708954 322085306 /nfs/dbraw/zinc/08/53/06/322085306.db2.gz VDAGWBCSZHWONC-BHIYHBOVSA-N 3 2 331.460 1.601 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cn2ccccc2n1 ZINC000580930935 322113113 /nfs/dbraw/zinc/11/31/13/322113113.db2.gz KBJFQRKBIXXHDD-GJZGRUSLSA-N 2 2 329.448 1.572 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cn2ccccc2n1 ZINC000580930935 322113114 /nfs/dbraw/zinc/11/31/14/322113114.db2.gz KBJFQRKBIXXHDD-GJZGRUSLSA-N 2 2 329.448 1.572 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000580950014 322116293 /nfs/dbraw/zinc/11/62/93/322116293.db2.gz FQWSORUJHZXYAJ-OAHLLOKOSA-N 2 2 340.493 1.492 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000581020449 322125772 /nfs/dbraw/zinc/12/57/72/322125772.db2.gz JWFBPOIPEKYGAM-INIZCTEOSA-N 2 2 330.476 1.714 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000581020449 322125773 /nfs/dbraw/zinc/12/57/73/322125773.db2.gz JWFBPOIPEKYGAM-INIZCTEOSA-N 2 2 330.476 1.714 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](O)C3CCOCC3)c2cc1C ZINC000581072359 322132276 /nfs/dbraw/zinc/13/22/76/322132276.db2.gz NCYHITYDJBDAPR-VQIMIIECSA-N 2 2 347.459 1.391 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)C[C@@H](C)O1 ZINC000581127099 322138799 /nfs/dbraw/zinc/13/87/99/322138799.db2.gz JYIKBGZEPAWZTL-POGZOPGASA-N 2 2 349.475 1.361 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(Oc3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000581417147 322174623 /nfs/dbraw/zinc/17/46/23/322174623.db2.gz DJDJNAKATJCIJI-HNNXBMFYSA-N 2 2 341.415 1.981 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(Oc3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000581417147 322174624 /nfs/dbraw/zinc/17/46/24/322174624.db2.gz DJDJNAKATJCIJI-HNNXBMFYSA-N 2 2 341.415 1.981 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000342130784 444524478 /nfs/dbraw/zinc/52/44/78/444524478.db2.gz NUCFPBKYKCBBMX-STQMWFEESA-N 2 2 335.448 1.741 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000329319023 444532999 /nfs/dbraw/zinc/53/29/99/444532999.db2.gz SZAZKXSZJBWVHX-TXEJJXNPSA-N 2 2 330.436 1.387 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000329319023 444533003 /nfs/dbraw/zinc/53/30/03/444533003.db2.gz SZAZKXSZJBWVHX-TXEJJXNPSA-N 2 2 330.436 1.387 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCSC[C@H]3CO)c2cc1C ZINC000343719578 444543667 /nfs/dbraw/zinc/54/36/67/444543667.db2.gz KVGFNCUVJLZLMJ-HUUCEWRRSA-N 2 2 335.473 1.424 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCSC[C@H]3CO)c2cc1C ZINC000343719578 444543670 /nfs/dbraw/zinc/54/36/70/444543670.db2.gz KVGFNCUVJLZLMJ-HUUCEWRRSA-N 2 2 335.473 1.424 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000343733020 444551885 /nfs/dbraw/zinc/55/18/85/444551885.db2.gz AESNOYVEJWROIH-QGZVFWFLSA-N 2 2 346.475 1.328 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000343733020 444551888 /nfs/dbraw/zinc/55/18/88/444551888.db2.gz AESNOYVEJWROIH-QGZVFWFLSA-N 2 2 346.475 1.328 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C[C@@H]1[NH+](C)C ZINC000332887997 444586381 /nfs/dbraw/zinc/58/63/81/444586381.db2.gz PTBONGXXMQLSDR-VNQPRFMTSA-N 2 2 349.479 1.479 20 0 EDADLP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCOC2)([NH+]2CCCCC2)CC1 ZINC000341015048 444632266 /nfs/dbraw/zinc/63/22/66/444632266.db2.gz BMQATEOVHPJMBG-INIZCTEOSA-N 2 2 338.496 1.272 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338284216 444610402 /nfs/dbraw/zinc/61/04/02/444610402.db2.gz XWAXSMTVMQEJNN-SJORKVTESA-N 2 2 339.480 1.158 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338284216 444610404 /nfs/dbraw/zinc/61/04/04/444610404.db2.gz XWAXSMTVMQEJNN-SJORKVTESA-N 2 2 339.480 1.158 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000340993225 444619774 /nfs/dbraw/zinc/61/97/74/444619774.db2.gz ZXYBFYUGPMEGSN-DOTOQJQBSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000340993225 444619776 /nfs/dbraw/zinc/61/97/76/444619776.db2.gz ZXYBFYUGPMEGSN-DOTOQJQBSA-N 2 2 338.496 1.271 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000341042289 444648354 /nfs/dbraw/zinc/64/83/54/444648354.db2.gz BDPCXVFKRFZJEA-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000342396715 444673906 /nfs/dbraw/zinc/67/39/06/444673906.db2.gz NYPMJIYWPXFREA-MRXNPFEDSA-N 2 2 348.491 1.080 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000342396715 444673909 /nfs/dbraw/zinc/67/39/09/444673909.db2.gz NYPMJIYWPXFREA-MRXNPFEDSA-N 2 2 348.491 1.080 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000342396715 444673914 /nfs/dbraw/zinc/67/39/14/444673914.db2.gz NYPMJIYWPXFREA-MRXNPFEDSA-N 2 2 348.491 1.080 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000342396715 444673916 /nfs/dbraw/zinc/67/39/16/444673916.db2.gz NYPMJIYWPXFREA-MRXNPFEDSA-N 2 2 348.491 1.080 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343877885 444641830 /nfs/dbraw/zinc/64/18/30/444641830.db2.gz ZDZMBNBRVOOALP-YCPHGPKFSA-N 2 2 333.480 1.966 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343877885 444641834 /nfs/dbraw/zinc/64/18/34/444641834.db2.gz ZDZMBNBRVOOALP-YCPHGPKFSA-N 2 2 333.480 1.966 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[N@H+](C)CC)CC1 ZINC000341182182 444714650 /nfs/dbraw/zinc/71/46/50/444714650.db2.gz HCQVZTCKPRWACJ-CQSZACIVSA-N 2 2 327.469 1.108 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[N@@H+](C)CC)CC1 ZINC000341182182 444714654 /nfs/dbraw/zinc/71/46/54/444714654.db2.gz HCQVZTCKPRWACJ-CQSZACIVSA-N 2 2 327.469 1.108 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329781425 444714941 /nfs/dbraw/zinc/71/49/41/444714941.db2.gz NGRGZEOEWWVSPX-BZUAXINKSA-N 2 2 336.480 1.566 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329781425 444714944 /nfs/dbraw/zinc/71/49/44/444714944.db2.gz NGRGZEOEWWVSPX-BZUAXINKSA-N 2 2 336.480 1.566 20 0 EDADLP C[N@H+](CCNC(=O)NCC[NH+]1CCOC(C)(C)C1)C1CCCCC1 ZINC000338493418 444721076 /nfs/dbraw/zinc/72/10/76/444721076.db2.gz FVTJUKGKIUEUQL-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[N@@H+](CCNC(=O)NCC[NH+]1CCOC(C)(C)C1)C1CCCCC1 ZINC000338493418 444721078 /nfs/dbraw/zinc/72/10/78/444721078.db2.gz FVTJUKGKIUEUQL-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CCCCC1 ZINC000338493418 444721081 /nfs/dbraw/zinc/72/10/81/444721081.db2.gz FVTJUKGKIUEUQL-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CCCCC1 ZINC000338493418 444721085 /nfs/dbraw/zinc/72/10/85/444721085.db2.gz FVTJUKGKIUEUQL-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000341198143 444724461 /nfs/dbraw/zinc/72/44/61/444724461.db2.gz VKRVTTYIUAYEJW-YVSFHVDLSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000341198143 444724465 /nfs/dbraw/zinc/72/44/65/444724465.db2.gz VKRVTTYIUAYEJW-YVSFHVDLSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341198143 444724467 /nfs/dbraw/zinc/72/44/67/444724467.db2.gz VKRVTTYIUAYEJW-YVSFHVDLSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341198143 444724470 /nfs/dbraw/zinc/72/44/70/444724470.db2.gz VKRVTTYIUAYEJW-YVSFHVDLSA-N 2 2 338.496 1.364 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344035417 444742180 /nfs/dbraw/zinc/74/21/80/444742180.db2.gz SIQMELYXQLMCGY-IPMKNSEASA-N 2 2 343.471 1.034 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344035417 444742184 /nfs/dbraw/zinc/74/21/84/444742184.db2.gz SIQMELYXQLMCGY-IPMKNSEASA-N 2 2 343.471 1.034 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000334093314 444778164 /nfs/dbraw/zinc/77/81/64/444778164.db2.gz PKNJHMRDPNYBRM-FXUDXRNXSA-N 2 2 347.463 1.784 20 0 EDADLP CCC1(CC)[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)[C@H](C)[C@@H]1OC ZINC000344108424 444785794 /nfs/dbraw/zinc/78/57/94/444785794.db2.gz RSWXOZMSXHEBMR-JJXSEGSLSA-N 2 2 325.497 1.756 20 0 EDADLP CCC1(CC)[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)[C@H](C)[C@@H]1OC ZINC000344108424 444785799 /nfs/dbraw/zinc/78/57/99/444785799.db2.gz RSWXOZMSXHEBMR-JJXSEGSLSA-N 2 2 325.497 1.756 20 0 EDADLP C[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344178566 444824460 /nfs/dbraw/zinc/82/44/60/444824460.db2.gz UUGNJRRWFOCSHI-QRQLOZEOSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1C[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[N@H+]1C ZINC000344178566 444824462 /nfs/dbraw/zinc/82/44/62/444824462.db2.gz UUGNJRRWFOCSHI-QRQLOZEOSA-N 2 2 345.487 1.906 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3nnc(C4CC4)n3C)CC2)CC1 ZINC000336886143 444833741 /nfs/dbraw/zinc/83/37/41/444833741.db2.gz FKTVOHUGZBVOMK-UHFFFAOYSA-N 2 2 346.523 1.683 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@@H](C)O1 ZINC000342762690 444854106 /nfs/dbraw/zinc/85/41/06/444854106.db2.gz ZJBYHDVGBGMMGI-JHJVBQTASA-N 2 2 333.423 1.235 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000344244097 444858797 /nfs/dbraw/zinc/85/87/97/444858797.db2.gz BVJKJEGVBISVLD-PKOBYXMFSA-N 2 2 341.459 1.899 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](C4CCCC4)C3)C[C@@H]21 ZINC000341544528 444885864 /nfs/dbraw/zinc/88/58/64/444885864.db2.gz CYVWNWAXQXVRNR-BHYGNILZSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](C4CCCC4)C3)C[C@@H]21 ZINC000341544528 444885868 /nfs/dbraw/zinc/88/58/68/444885868.db2.gz CYVWNWAXQXVRNR-BHYGNILZSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C[C@@H]21 ZINC000341544528 444885873 /nfs/dbraw/zinc/88/58/73/444885873.db2.gz CYVWNWAXQXVRNR-BHYGNILZSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)C[C@@H]21 ZINC000341544528 444885876 /nfs/dbraw/zinc/88/58/76/444885876.db2.gz CYVWNWAXQXVRNR-BHYGNILZSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@H]3OCC[N@@H+](C)[C@@H]3C1)C2 ZINC000341570604 444900282 /nfs/dbraw/zinc/90/02/82/444900282.db2.gz PQRKZPGORJIRGN-SLUKUZTOSA-N 2 2 336.480 1.116 20 0 EDADLP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@H]3OCC[N@H+](C)[C@@H]3C1)C2 ZINC000341570604 444900286 /nfs/dbraw/zinc/90/02/86/444900286.db2.gz PQRKZPGORJIRGN-SLUKUZTOSA-N 2 2 336.480 1.116 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC000341570604 444900289 /nfs/dbraw/zinc/90/02/89/444900289.db2.gz PQRKZPGORJIRGN-SLUKUZTOSA-N 2 2 336.480 1.116 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC000341570604 444900293 /nfs/dbraw/zinc/90/02/93/444900293.db2.gz PQRKZPGORJIRGN-SLUKUZTOSA-N 2 2 336.480 1.116 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000342863305 444900430 /nfs/dbraw/zinc/90/04/30/444900430.db2.gz HROJYHURDAZSOB-INIZCTEOSA-N 2 2 333.480 1.210 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000344408423 444947434 /nfs/dbraw/zinc/94/74/34/444947434.db2.gz BHKVFXVLGDRKDT-INIZCTEOSA-N 2 2 333.480 1.050 20 0 EDADLP c1cn([C@H]2COC[C@@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000344460002 444989047 /nfs/dbraw/zinc/98/90/47/444989047.db2.gz BSRKZFUXYOVHIB-OALUTQOASA-N 2 2 341.459 1.515 20 0 EDADLP CCc1cc(OC)ccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000337375520 445053154 /nfs/dbraw/zinc/05/31/54/445053154.db2.gz GNAVGSNTJYBYNB-LJQANCHMSA-N 2 2 345.487 1.996 20 0 EDADLP CCc1cc(OC)ccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000337375520 445053158 /nfs/dbraw/zinc/05/31/58/445053158.db2.gz GNAVGSNTJYBYNB-LJQANCHMSA-N 2 2 345.487 1.996 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)N2CCOCC2)cc1 ZINC000343069607 445040607 /nfs/dbraw/zinc/04/06/07/445040607.db2.gz CNEIIHLMERJXOL-IPELMVKDSA-N 2 2 333.476 1.608 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)N2CCOCC2)cc1 ZINC000343069607 445040611 /nfs/dbraw/zinc/04/06/11/445040611.db2.gz CNEIIHLMERJXOL-IPELMVKDSA-N 2 2 333.476 1.608 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337562791 445138340 /nfs/dbraw/zinc/13/83/40/445138340.db2.gz ULXLAWGWUFSEOF-GDBMZVCRSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337562791 445138348 /nfs/dbraw/zinc/13/83/48/445138348.db2.gz ULXLAWGWUFSEOF-GDBMZVCRSA-N 2 2 331.464 1.688 20 0 EDADLP CC[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339236078 445105227 /nfs/dbraw/zinc/10/52/27/445105227.db2.gz WGYLLHNPMZSUEP-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339236078 445105231 /nfs/dbraw/zinc/10/52/31/445105231.db2.gz WGYLLHNPMZSUEP-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344660870 445112470 /nfs/dbraw/zinc/11/24/70/445112470.db2.gz ZEYZKLUUBDKUME-GFCCVEGCSA-N 2 2 329.404 1.472 20 0 EDADLP CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344660870 445112471 /nfs/dbraw/zinc/11/24/71/445112471.db2.gz ZEYZKLUUBDKUME-GFCCVEGCSA-N 2 2 329.404 1.472 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337524191 445119612 /nfs/dbraw/zinc/11/96/12/445119612.db2.gz ALACBHRMIDJISG-SOUVJXGZSA-N 2 2 337.468 1.459 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337524191 445119615 /nfs/dbraw/zinc/11/96/15/445119615.db2.gz ALACBHRMIDJISG-SOUVJXGZSA-N 2 2 337.468 1.459 20 0 EDADLP OCCOC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCOCC1 ZINC000337534764 445124140 /nfs/dbraw/zinc/12/41/40/445124140.db2.gz FQXXYRRTWIYDCX-UHFFFAOYSA-N 2 2 349.475 1.194 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000343269892 445171357 /nfs/dbraw/zinc/17/13/57/445171357.db2.gz CSYMDEGZLHFPLT-YZGWKJHDSA-N 3 2 330.520 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000343269892 445171362 /nfs/dbraw/zinc/17/13/62/445171362.db2.gz CSYMDEGZLHFPLT-YZGWKJHDSA-N 3 2 330.520 1.905 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000343269892 445171366 /nfs/dbraw/zinc/17/13/66/445171366.db2.gz CSYMDEGZLHFPLT-YZGWKJHDSA-N 3 2 330.520 1.905 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000343269892 445171368 /nfs/dbraw/zinc/17/13/68/445171368.db2.gz CSYMDEGZLHFPLT-YZGWKJHDSA-N 3 2 330.520 1.905 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345302464 445179370 /nfs/dbraw/zinc/17/93/70/445179370.db2.gz CPZYGSPXAMJXFC-WKULXVSPSA-N 2 2 337.508 1.863 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345302464 445179373 /nfs/dbraw/zinc/17/93/73/445179373.db2.gz CPZYGSPXAMJXFC-WKULXVSPSA-N 2 2 337.508 1.863 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345302464 445179376 /nfs/dbraw/zinc/17/93/76/445179376.db2.gz CPZYGSPXAMJXFC-WKULXVSPSA-N 2 2 337.508 1.863 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000345302464 445179382 /nfs/dbraw/zinc/17/93/82/445179382.db2.gz CPZYGSPXAMJXFC-WKULXVSPSA-N 2 2 337.508 1.863 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342117236 445182230 /nfs/dbraw/zinc/18/22/30/445182230.db2.gz CYFMBZZWYQXKLB-UHFFFAOYSA-N 2 2 327.375 1.717 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000343426210 445220218 /nfs/dbraw/zinc/22/02/18/445220218.db2.gz JDKSWXFIECHNHW-RHSMWYFYSA-N 2 2 343.479 1.449 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)n1 ZINC000343426210 445220219 /nfs/dbraw/zinc/22/02/19/445220219.db2.gz JDKSWXFIECHNHW-RHSMWYFYSA-N 2 2 343.479 1.449 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1CC ZINC000343402887 445216595 /nfs/dbraw/zinc/21/65/95/445216595.db2.gz OZMDESNQRBPZCT-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1CC ZINC000343402887 445216596 /nfs/dbraw/zinc/21/65/96/445216596.db2.gz OZMDESNQRBPZCT-HOTGVXAUSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1ccc(OCC(=O)N2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000343318571 445196618 /nfs/dbraw/zinc/19/66/18/445196618.db2.gz YESUROSJTQOBPV-UHFFFAOYSA-N 2 2 342.443 1.805 20 0 EDADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@H]1C ZINC000346671560 445222310 /nfs/dbraw/zinc/22/23/10/445222310.db2.gz JYILZMLRPAQJIY-ARFHVFGLSA-N 2 2 345.443 1.897 20 0 EDADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@H]1C ZINC000346671560 445222311 /nfs/dbraw/zinc/22/23/11/445222311.db2.gz JYILZMLRPAQJIY-ARFHVFGLSA-N 2 2 345.443 1.897 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346941807 445228491 /nfs/dbraw/zinc/22/84/91/445228491.db2.gz WBKLZCFVRDOYQX-MPGHIAIKSA-N 2 2 335.496 1.650 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346941807 445228493 /nfs/dbraw/zinc/22/84/93/445228493.db2.gz WBKLZCFVRDOYQX-MPGHIAIKSA-N 2 2 335.496 1.650 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346941807 445228495 /nfs/dbraw/zinc/22/84/95/445228495.db2.gz WBKLZCFVRDOYQX-MPGHIAIKSA-N 2 2 335.496 1.650 20 0 EDADLP C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@H](C)[NH+]1C ZINC000343473800 445229446 /nfs/dbraw/zinc/22/94/46/445229446.db2.gz QVRKGFUASRIPNL-KBPBESRZSA-N 2 2 341.415 1.362 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000343564090 445244678 /nfs/dbraw/zinc/24/46/78/445244678.db2.gz GXHGQLBYBYHIHS-SJLPKXTDSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000343564090 445244679 /nfs/dbraw/zinc/24/46/79/445244679.db2.gz GXHGQLBYBYHIHS-SJLPKXTDSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000347693921 445245459 /nfs/dbraw/zinc/24/54/59/445245459.db2.gz XWHSCXUDXGCEBT-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000347693921 445245461 /nfs/dbraw/zinc/24/54/61/445245461.db2.gz XWHSCXUDXGCEBT-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000347887451 445253875 /nfs/dbraw/zinc/25/38/75/445253875.db2.gz HYCZDQJFAXQMSE-ATLSCFEFSA-N 2 2 337.508 1.815 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000347887451 445253884 /nfs/dbraw/zinc/25/38/84/445253884.db2.gz HYCZDQJFAXQMSE-ATLSCFEFSA-N 2 2 337.508 1.815 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000347887451 445253887 /nfs/dbraw/zinc/25/38/87/445253887.db2.gz HYCZDQJFAXQMSE-ATLSCFEFSA-N 2 2 337.508 1.815 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000348377385 445270986 /nfs/dbraw/zinc/27/09/86/445270986.db2.gz MRHGPUQVYNZBGW-IAGOWNOFSA-N 2 2 339.528 1.186 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000348377385 445270988 /nfs/dbraw/zinc/27/09/88/445270988.db2.gz MRHGPUQVYNZBGW-IAGOWNOFSA-N 2 2 339.528 1.186 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348377385 445270990 /nfs/dbraw/zinc/27/09/90/445270990.db2.gz MRHGPUQVYNZBGW-IAGOWNOFSA-N 2 2 339.528 1.186 20 0 EDADLP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348377385 445270991 /nfs/dbraw/zinc/27/09/91/445270991.db2.gz MRHGPUQVYNZBGW-IAGOWNOFSA-N 2 2 339.528 1.186 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCCOC1 ZINC000348141597 445287207 /nfs/dbraw/zinc/28/72/07/445287207.db2.gz ZBMZZTYONBEGTP-JKSUJKDBSA-N 2 2 335.448 1.329 20 0 EDADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccccc1-n1cc[nH+]c1 ZINC000354698974 445344494 /nfs/dbraw/zinc/34/44/94/445344494.db2.gz VPMOPMXZVTXHSW-AWEZNQCLSA-N 2 2 327.388 1.069 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000351862514 445346428 /nfs/dbraw/zinc/34/64/28/445346428.db2.gz PSYYKAXHCZUASS-ZIAGYGMSSA-N 2 2 345.422 1.927 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000351862514 445346429 /nfs/dbraw/zinc/34/64/29/445346429.db2.gz PSYYKAXHCZUASS-ZIAGYGMSSA-N 2 2 345.422 1.927 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351864908 445347595 /nfs/dbraw/zinc/34/75/95/445347595.db2.gz ZQYWWNPQZYAQHL-DYEKYZERSA-N 2 2 348.447 1.650 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351864908 445347597 /nfs/dbraw/zinc/34/75/97/445347597.db2.gz ZQYWWNPQZYAQHL-DYEKYZERSA-N 2 2 348.447 1.650 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000359760150 445413385 /nfs/dbraw/zinc/41/33/85/445413385.db2.gz GFQNWLATYCXWGO-DOTOQJQBSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000359760150 445413388 /nfs/dbraw/zinc/41/33/88/445413388.db2.gz GFQNWLATYCXWGO-DOTOQJQBSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000359760150 445413391 /nfs/dbraw/zinc/41/33/91/445413391.db2.gz GFQNWLATYCXWGO-DOTOQJQBSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000359760150 445413394 /nfs/dbraw/zinc/41/33/94/445413394.db2.gz GFQNWLATYCXWGO-DOTOQJQBSA-N 2 2 325.497 1.866 20 0 EDADLP Cc1cc(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000348858487 445418741 /nfs/dbraw/zinc/41/87/41/445418741.db2.gz FOUTZFHBGWTYFP-IBGZPJMESA-N 2 2 340.427 1.570 20 0 EDADLP Cc1cc(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000348858487 445418748 /nfs/dbraw/zinc/41/87/48/445418748.db2.gz FOUTZFHBGWTYFP-IBGZPJMESA-N 2 2 340.427 1.570 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000357020022 445379094 /nfs/dbraw/zinc/37/90/94/445379094.db2.gz BIZSIGMKDJFMAG-CRAIPNDOSA-N 2 2 345.466 1.874 20 0 EDADLP COCCNC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000359728872 445395943 /nfs/dbraw/zinc/39/59/43/445395943.db2.gz LBPKXYRJZOYZSN-LJQANCHMSA-N 2 2 347.503 1.823 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000349010982 445474897 /nfs/dbraw/zinc/47/48/97/445474897.db2.gz RCEWXSNMFJZIKZ-INIZCTEOSA-N 2 2 340.493 1.183 20 0 EDADLP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)sc2C1 ZINC000362700152 445507544 /nfs/dbraw/zinc/50/75/44/445507544.db2.gz XYFFVLYRMWWWEU-KGLIPLIRSA-N 2 2 348.516 1.664 20 0 EDADLP C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)sc2C1 ZINC000362700152 445507548 /nfs/dbraw/zinc/50/75/48/445507548.db2.gz XYFFVLYRMWWWEU-KGLIPLIRSA-N 2 2 348.516 1.664 20 0 EDADLP C[C@H](Oc1cccc(F)c1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362706622 445510793 /nfs/dbraw/zinc/51/07/93/445510793.db2.gz QUSYQXYTVAYAFW-HOCLYGCPSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@H](Oc1cccc(F)c1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362706622 445510796 /nfs/dbraw/zinc/51/07/96/445510796.db2.gz QUSYQXYTVAYAFW-HOCLYGCPSA-N 2 2 349.450 1.878 20 0 EDADLP CCc1nc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000362712489 445513312 /nfs/dbraw/zinc/51/33/12/445513312.db2.gz WLWVQHMIHASBOR-CYBMUJFWSA-N 2 2 336.505 1.533 20 0 EDADLP CCc1nc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000362712489 445513314 /nfs/dbraw/zinc/51/33/14/445513314.db2.gz WLWVQHMIHASBOR-CYBMUJFWSA-N 2 2 336.505 1.533 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000362671111 445491018 /nfs/dbraw/zinc/49/10/18/445491018.db2.gz KREOPDCCEYMIQD-HNNXBMFYSA-N 2 2 331.391 1.968 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000362671111 445491022 /nfs/dbraw/zinc/49/10/22/445491022.db2.gz KREOPDCCEYMIQD-HNNXBMFYSA-N 2 2 331.391 1.968 20 0 EDADLP CC[C@H]1C[N@H+](CCNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)CCO1 ZINC000362674076 445492843 /nfs/dbraw/zinc/49/28/43/445492843.db2.gz PPOMVLCBXJYEDT-CABCVRRESA-N 2 2 335.452 1.590 20 0 EDADLP CC[C@H]1C[N@@H+](CCNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)CCO1 ZINC000362674076 445492848 /nfs/dbraw/zinc/49/28/48/445492848.db2.gz PPOMVLCBXJYEDT-CABCVRRESA-N 2 2 335.452 1.590 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000357245632 445504134 /nfs/dbraw/zinc/50/41/34/445504134.db2.gz HXQHKFMFQWOYLZ-UHFFFAOYSA-N 2 2 349.479 1.098 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000362696348 445504601 /nfs/dbraw/zinc/50/46/01/445504601.db2.gz YHQYACQPAUBOPG-CYBMUJFWSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000362696348 445504604 /nfs/dbraw/zinc/50/46/04/445504604.db2.gz YHQYACQPAUBOPG-CYBMUJFWSA-N 2 2 325.815 1.875 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000357248664 445506427 /nfs/dbraw/zinc/50/64/27/445506427.db2.gz RSSSBVHIRLIHCR-HNNXBMFYSA-N 2 2 349.479 1.098 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000360133743 445587060 /nfs/dbraw/zinc/58/70/60/445587060.db2.gz DIAFYFHCDOLREY-MRXNPFEDSA-N 2 2 341.459 1.546 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](O)Cc1ccccc1 ZINC000362769407 445541183 /nfs/dbraw/zinc/54/11/83/445541183.db2.gz LFRYXPNTYAAKDK-IBGZPJMESA-N 2 2 347.503 1.465 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](O)Cc1ccccc1 ZINC000362769407 445541186 /nfs/dbraw/zinc/54/11/86/445541186.db2.gz LFRYXPNTYAAKDK-IBGZPJMESA-N 2 2 347.503 1.465 20 0 EDADLP C[NH+](C)C[C@H](O)CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000352632782 445544059 /nfs/dbraw/zinc/54/40/59/445544059.db2.gz IBMRAJXDJIDTQR-IKGGRYGDSA-N 2 2 341.883 1.224 20 0 EDADLP C[NH+](C)C[C@H](O)CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000352632782 445544064 /nfs/dbraw/zinc/54/40/64/445544064.db2.gz IBMRAJXDJIDTQR-IKGGRYGDSA-N 2 2 341.883 1.224 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000356079285 445607392 /nfs/dbraw/zinc/60/73/92/445607392.db2.gz CEJOWDCXYOMHDA-UONOGXRCSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000356079285 445607397 /nfs/dbraw/zinc/60/73/97/445607397.db2.gz CEJOWDCXYOMHDA-UONOGXRCSA-N 2 2 340.493 1.371 20 0 EDADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358249121 445613356 /nfs/dbraw/zinc/61/33/56/445613356.db2.gz KAWMWWVQTINRSG-VQTJNVASSA-N 2 2 347.503 1.279 20 0 EDADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358249121 445613360 /nfs/dbraw/zinc/61/33/60/445613360.db2.gz KAWMWWVQTINRSG-VQTJNVASSA-N 2 2 347.503 1.279 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000360213350 445632295 /nfs/dbraw/zinc/63/22/95/445632295.db2.gz UPFHCLLDYHBVQY-AWEZNQCLSA-N 2 2 336.436 1.111 20 0 EDADLP CC(C)NC(=O)C[NH+]1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000360226961 445640804 /nfs/dbraw/zinc/64/08/04/445640804.db2.gz YOGCANPMDUZMIP-UHFFFAOYSA-N 2 2 348.495 1.313 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000349668841 445642914 /nfs/dbraw/zinc/64/29/14/445642914.db2.gz ORGPPNFTJNRBGD-UHFFFAOYSA-N 2 2 332.901 1.276 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC1 ZINC000360237802 445648108 /nfs/dbraw/zinc/64/81/08/445648108.db2.gz KEXVNGZOBLMBNC-UHFFFAOYSA-N 2 2 349.475 1.840 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353555563 445653925 /nfs/dbraw/zinc/65/39/25/445653925.db2.gz PGKLSISYIGRFFR-UHFFFAOYSA-N 2 2 338.452 1.515 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353555563 445653931 /nfs/dbraw/zinc/65/39/31/445653931.db2.gz PGKLSISYIGRFFR-UHFFFAOYSA-N 2 2 338.452 1.515 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353555563 445653940 /nfs/dbraw/zinc/65/39/40/445653940.db2.gz PGKLSISYIGRFFR-UHFFFAOYSA-N 2 2 338.452 1.515 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCOC[C@H]2C)[NH+](C)C)cc1 ZINC000356181389 445665262 /nfs/dbraw/zinc/66/52/62/445665262.db2.gz QHMKMIYEOMFFNG-SJLPKXTDSA-N 2 2 348.491 1.618 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)[NH+](C)C)cc1 ZINC000356181389 445665268 /nfs/dbraw/zinc/66/52/68/445665268.db2.gz QHMKMIYEOMFFNG-SJLPKXTDSA-N 2 2 348.491 1.618 20 0 EDADLP COc1ccc([C@@H](NC(=O)N[C@H](C)C[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000349818776 445688317 /nfs/dbraw/zinc/68/83/17/445688317.db2.gz DXQQEHGEGFXLLI-CZUORRHYSA-N 2 2 345.447 1.767 20 0 EDADLP CCOC(=O)c1coc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000353655201 445693854 /nfs/dbraw/zinc/69/38/54/445693854.db2.gz XBWGYIZRTMCKSS-QAPCUYQASA-N 2 2 349.475 1.914 20 0 EDADLP CCOC(=O)c1coc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000353655201 445693855 /nfs/dbraw/zinc/69/38/55/445693855.db2.gz XBWGYIZRTMCKSS-QAPCUYQASA-N 2 2 349.475 1.914 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000353688337 445708125 /nfs/dbraw/zinc/70/81/25/445708125.db2.gz XDFWYFBMXZMNCM-UHFFFAOYSA-N 3 2 344.503 1.131 20 0 EDADLP C[C@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H](C)[NH+]1C ZINC000358675051 445709321 /nfs/dbraw/zinc/70/93/21/445709321.db2.gz IGGXBLNISHNFPD-GJZGRUSLSA-N 2 2 333.480 1.183 20 0 EDADLP Cc1noc(C)c1CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363338327 445771157 /nfs/dbraw/zinc/77/11/57/445771157.db2.gz CXMGCTIFZBHODR-OAHLLOKOSA-N 2 2 334.464 1.509 20 0 EDADLP Cc1noc(C)c1CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363338327 445771160 /nfs/dbraw/zinc/77/11/60/445771160.db2.gz CXMGCTIFZBHODR-OAHLLOKOSA-N 2 2 334.464 1.509 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3noc4ccccc43)C2)CC1 ZINC000363339072 445771774 /nfs/dbraw/zinc/77/17/74/445771774.db2.gz QGEPPTFTQWLIKN-CQSZACIVSA-N 2 2 342.443 1.655 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3noc4ccccc43)C2)CC1 ZINC000363339072 445771778 /nfs/dbraw/zinc/77/17/78/445771778.db2.gz QGEPPTFTQWLIKN-CQSZACIVSA-N 2 2 342.443 1.655 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000356300540 445725329 /nfs/dbraw/zinc/72/53/29/445725329.db2.gz OWDFKTIFYRQROP-UHFFFAOYSA-N 2 2 333.358 1.586 20 0 EDADLP CO[C@@H]1CCC[C@H]1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360810562 445734312 /nfs/dbraw/zinc/73/43/12/445734312.db2.gz MFHPJLGVGBVENT-DJIMGWMZSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CCC[C@H]1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360810562 445734317 /nfs/dbraw/zinc/73/43/17/445734317.db2.gz MFHPJLGVGBVENT-DJIMGWMZSA-N 2 2 338.496 1.364 20 0 EDADLP Cc1nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000360876975 445737058 /nfs/dbraw/zinc/73/70/58/445737058.db2.gz MPDLLTLNCPVOCJ-CJNGLKHVSA-N 2 2 326.448 2.178 20 0 EDADLP CC(C)Oc1ccccc1C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363493128 445829963 /nfs/dbraw/zinc/82/99/63/445829963.db2.gz MABXAGYCIQUUCF-LJQANCHMSA-N 2 2 347.503 1.922 20 0 EDADLP CC(C)Oc1ccccc1C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363493128 445829964 /nfs/dbraw/zinc/82/99/64/445829964.db2.gz MABXAGYCIQUUCF-LJQANCHMSA-N 2 2 347.503 1.922 20 0 EDADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCn2cc[nH+]c2C1 ZINC000350270755 445804294 /nfs/dbraw/zinc/80/42/94/445804294.db2.gz UXXGYFOIZDOHEV-UHFFFAOYSA-N 2 2 339.443 1.857 20 0 EDADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCn2cc[nH+]c2C1 ZINC000350270755 445804296 /nfs/dbraw/zinc/80/42/96/445804296.db2.gz UXXGYFOIZDOHEV-UHFFFAOYSA-N 2 2 339.443 1.857 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363464088 445814696 /nfs/dbraw/zinc/81/46/96/445814696.db2.gz JOBRVIJYCCCFFQ-UHFFFAOYSA-N 2 2 339.403 1.662 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000353973893 445835396 /nfs/dbraw/zinc/83/53/96/445835396.db2.gz QZILYJXKTRRNPS-SUMWQHHRSA-N 2 2 327.428 1.745 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000353973893 445835397 /nfs/dbraw/zinc/83/53/97/445835397.db2.gz QZILYJXKTRRNPS-SUMWQHHRSA-N 2 2 327.428 1.745 20 0 EDADLP Cc1ccncc1CN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000354076759 445889519 /nfs/dbraw/zinc/88/95/19/445889519.db2.gz XZNCMIRKENBNGY-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1(C)C ZINC000354012668 445855043 /nfs/dbraw/zinc/85/50/43/445855043.db2.gz ADTYJOVHXHYLNJ-HNNXBMFYSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1(C)C ZINC000354012668 445855044 /nfs/dbraw/zinc/85/50/44/445855044.db2.gz ADTYJOVHXHYLNJ-HNNXBMFYSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000354014230 445856008 /nfs/dbraw/zinc/85/60/08/445856008.db2.gz KXZULWWYDMICPZ-HZPDHXFCSA-N 2 2 349.479 1.036 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c[nH]1 ZINC000354017444 445856703 /nfs/dbraw/zinc/85/67/03/445856703.db2.gz JXABLOHVLHLKLT-YOEHRIQHSA-N 2 2 334.464 1.259 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c[nH]1 ZINC000354017444 445856708 /nfs/dbraw/zinc/85/67/08/445856708.db2.gz JXABLOHVLHLKLT-YOEHRIQHSA-N 2 2 334.464 1.259 20 0 EDADLP COCCC[N@@H+]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000363557851 445858936 /nfs/dbraw/zinc/85/89/36/445858936.db2.gz MGQNJAXQPDUPTB-UHFFFAOYSA-N 2 2 349.479 1.401 20 0 EDADLP COCCC[N@H+]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000363557851 445858938 /nfs/dbraw/zinc/85/89/38/445858938.db2.gz MGQNJAXQPDUPTB-UHFFFAOYSA-N 2 2 349.479 1.401 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000363971018 445888390 /nfs/dbraw/zinc/88/83/90/445888390.db2.gz XNKAXMZNALGVGD-OAHLLOKOSA-N 2 2 339.443 1.615 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)NCC(F)(F)F)C2)c1 ZINC000372951099 445939862 /nfs/dbraw/zinc/93/98/62/445939862.db2.gz REUAMRRKARNVAC-GFCCVEGCSA-N 2 2 330.354 1.802 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(=O)NCC(F)(F)F)C2)c1 ZINC000372951099 445939866 /nfs/dbraw/zinc/93/98/66/445939866.db2.gz REUAMRRKARNVAC-GFCCVEGCSA-N 2 2 330.354 1.802 20 0 EDADLP CNC(=O)c1ccc(C[N@@H+]2CCCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000369120200 445940461 /nfs/dbraw/zinc/94/04/61/445940461.db2.gz PSZFTZRTFSVRMP-UHFFFAOYSA-N 2 2 341.459 1.488 20 0 EDADLP CNC(=O)c1ccc(C[N@H+]2CCCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000369120200 445940467 /nfs/dbraw/zinc/94/04/67/445940467.db2.gz PSZFTZRTFSVRMP-UHFFFAOYSA-N 2 2 341.459 1.488 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]CCO2)cc1F ZINC000361727903 445901371 /nfs/dbraw/zinc/90/13/71/445901371.db2.gz MYYUCSOJKIKDJV-MEDUHNTESA-N 2 2 332.379 1.485 20 0 EDADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H](C[NH3+])C1 ZINC000359046282 445909616 /nfs/dbraw/zinc/90/96/16/445909616.db2.gz RIODVNKSFUMECZ-HUUCEWRRSA-N 2 2 327.375 1.732 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H](C[NH3+])C1 ZINC000359046282 445909624 /nfs/dbraw/zinc/90/96/24/445909624.db2.gz RIODVNKSFUMECZ-HUUCEWRRSA-N 2 2 327.375 1.732 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000366006992 445958491 /nfs/dbraw/zinc/95/84/91/445958491.db2.gz NFCNYIKQGCOTJF-GDBMZVCRSA-N 2 2 333.480 1.790 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000366006992 445958497 /nfs/dbraw/zinc/95/84/97/445958497.db2.gz NFCNYIKQGCOTJF-GDBMZVCRSA-N 2 2 333.480 1.790 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[NH2+]Cc1cnc2cnccn12 ZINC000359154599 445985867 /nfs/dbraw/zinc/98/58/67/445985867.db2.gz FMKBHSJKRSZHNT-KGLIPLIRSA-N 2 2 343.410 1.165 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH+]2CC(OCCOC)C2)CC1 ZINC000354192188 445986019 /nfs/dbraw/zinc/98/60/19/445986019.db2.gz WOYGROWXUZLBOR-UHFFFAOYSA-N 2 2 333.476 1.676 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOCCC(C)C)C[C@H]1C ZINC000354222447 446018160 /nfs/dbraw/zinc/01/81/60/446018160.db2.gz JLDYZISHYZVSSW-IAGOWNOFSA-N 2 2 327.513 1.970 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOCCC(C)C)C[C@H]1C ZINC000354222447 446018166 /nfs/dbraw/zinc/01/81/66/446018166.db2.gz JLDYZISHYZVSSW-IAGOWNOFSA-N 2 2 327.513 1.970 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCOCCC(C)C)C[C@H]1C ZINC000354222447 446018170 /nfs/dbraw/zinc/01/81/70/446018170.db2.gz JLDYZISHYZVSSW-IAGOWNOFSA-N 2 2 327.513 1.970 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCOCCC(C)C)C[C@H]1C ZINC000354222447 446018174 /nfs/dbraw/zinc/01/81/74/446018174.db2.gz JLDYZISHYZVSSW-IAGOWNOFSA-N 2 2 327.513 1.970 20 0 EDADLP CCCCCNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351343847 446036974 /nfs/dbraw/zinc/03/69/74/446036974.db2.gz UPAFUXNSSACCEF-QGZVFWFLSA-N 2 2 325.497 1.460 20 0 EDADLP CCCCCNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351343847 446036979 /nfs/dbraw/zinc/03/69/79/446036979.db2.gz UPAFUXNSSACCEF-QGZVFWFLSA-N 2 2 325.497 1.460 20 0 EDADLP CCCCCCOCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276026 446043725 /nfs/dbraw/zinc/04/37/25/446043725.db2.gz ZRJVBDWKEZVRDR-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CCCCCCOCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276026 446043728 /nfs/dbraw/zinc/04/37/28/446043728.db2.gz ZRJVBDWKEZVRDR-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CC[NH+]([C@@H]3CCSC3)CC2)nc[nH+]1 ZINC000373060967 446001130 /nfs/dbraw/zinc/00/11/30/446001130.db2.gz YEVMFKNQAYTGHW-HUUCEWRRSA-N 2 2 349.504 1.065 20 0 EDADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000583143307 326011491 /nfs/dbraw/zinc/01/14/91/326011491.db2.gz GEDNOWLZWYZEBL-NWDGAFQWSA-N 2 2 337.247 1.245 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000583155041 326016122 /nfs/dbraw/zinc/01/61/22/326016122.db2.gz OTQQQFHTELHYNU-CYBMUJFWSA-N 2 2 329.404 1.121 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000583155041 326016124 /nfs/dbraw/zinc/01/61/24/326016124.db2.gz OTQQQFHTELHYNU-CYBMUJFWSA-N 2 2 329.404 1.121 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000583541793 326090860 /nfs/dbraw/zinc/09/08/60/326090860.db2.gz DXXXIZJLMKQMOZ-WBVHZDCISA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000583541793 326090862 /nfs/dbraw/zinc/09/08/62/326090862.db2.gz DXXXIZJLMKQMOZ-WBVHZDCISA-N 2 2 340.427 1.651 20 0 EDADLP CCOC(=O)CCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000583626447 326106155 /nfs/dbraw/zinc/10/61/55/326106155.db2.gz SCGYMCFCYGMXPT-HNNXBMFYSA-N 2 2 333.432 1.947 20 0 EDADLP CCOC(=O)CCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000583626448 326106212 /nfs/dbraw/zinc/10/62/12/326106212.db2.gz SCGYMCFCYGMXPT-OAHLLOKOSA-N 2 2 333.432 1.947 20 0 EDADLP O=C([C@H]1CCCC[NH2+]1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000584055744 326191748 /nfs/dbraw/zinc/19/17/48/326191748.db2.gz PPOGEQATJUSCJY-MRXNPFEDSA-N 2 2 345.443 1.244 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000356841983 446063945 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EDADLP COc1ccc(CC[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000361923595 446072777 /nfs/dbraw/zinc/07/27/77/446072777.db2.gz CTKUJUFISNFYTM-FXAWDEMLSA-N 2 2 347.503 1.574 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1)C1CC1 ZINC000351536018 446137338 /nfs/dbraw/zinc/13/73/38/446137338.db2.gz GEGSOTCWGKMOFQ-GOSISDBHSA-N 2 2 337.508 1.602 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1)C1CC1 ZINC000351536018 446137342 /nfs/dbraw/zinc/13/73/42/446137342.db2.gz GEGSOTCWGKMOFQ-GOSISDBHSA-N 2 2 337.508 1.602 20 0 EDADLP Cc1ncc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000366300723 446137975 /nfs/dbraw/zinc/13/79/75/446137975.db2.gz UWEYMUVVXUUXHQ-DOTOQJQBSA-N 2 2 333.480 1.151 20 0 EDADLP C[N@H+](CCO)C1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000351495542 446099792 /nfs/dbraw/zinc/09/97/92/446099792.db2.gz WSNSXSUHUDBWAP-UHFFFAOYSA-N 2 2 342.443 1.460 20 0 EDADLP C[N@@H+](CCO)C1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000351495542 446099800 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CC[N@H+](C)CCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354381043 446163722 /nfs/dbraw/zinc/16/37/22/446163722.db2.gz DLRXSOHVXOMBJF-MRXNPFEDSA-N 2 2 349.479 1.085 20 0 EDADLP CC[N@@H+](C)CCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000354381043 446163728 /nfs/dbraw/zinc/16/37/28/446163728.db2.gz DLRXSOHVXOMBJF-MRXNPFEDSA-N 2 2 349.479 1.085 20 0 EDADLP CC[N@H+](C)CCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354381043 446163731 /nfs/dbraw/zinc/16/37/31/446163731.db2.gz DLRXSOHVXOMBJF-MRXNPFEDSA-N 2 2 349.479 1.085 20 0 EDADLP CC[N@@H+](C)CCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000354381043 446163737 /nfs/dbraw/zinc/16/37/37/446163737.db2.gz DLRXSOHVXOMBJF-MRXNPFEDSA-N 2 2 349.479 1.085 20 0 EDADLP COCC[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[NH2+]C1 ZINC000366326123 446152217 /nfs/dbraw/zinc/15/22/17/446152217.db2.gz DGKWPNKMQHIOQH-LJQANCHMSA-N 2 2 346.475 1.704 20 0 EDADLP CN(C(=O)NC[C@@]1(C)CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373503263 446241178 /nfs/dbraw/zinc/24/11/78/446241178.db2.gz BKVVTCFNRKSIIU-FUHWJXTLSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NC[C@@]1(C)CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373503263 446241182 /nfs/dbraw/zinc/24/11/82/446241182.db2.gz BKVVTCFNRKSIIU-FUHWJXTLSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)C[C@@H]1C ZINC000362172390 446246090 /nfs/dbraw/zinc/24/60/90/446246090.db2.gz BVYZNUHKPWVYNQ-JYJNAYRXSA-N 2 2 341.496 1.495 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)C[C@@H]1C ZINC000362172390 446246093 /nfs/dbraw/zinc/24/60/93/446246093.db2.gz BVYZNUHKPWVYNQ-JYJNAYRXSA-N 2 2 341.496 1.495 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)C[C@@H]1C ZINC000362172390 446246094 /nfs/dbraw/zinc/24/60/94/446246094.db2.gz BVYZNUHKPWVYNQ-JYJNAYRXSA-N 2 2 341.496 1.495 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](CC(C)C)C(=O)OC)C[C@@H]1C ZINC000362172390 446246097 /nfs/dbraw/zinc/24/60/97/446246097.db2.gz BVYZNUHKPWVYNQ-JYJNAYRXSA-N 2 2 341.496 1.495 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000373531817 446250267 /nfs/dbraw/zinc/25/02/67/446250267.db2.gz DWFBMQAFGWLLPH-ZWKOTPCHSA-N 2 2 342.443 1.104 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000373531817 446250269 /nfs/dbraw/zinc/25/02/69/446250269.db2.gz DWFBMQAFGWLLPH-ZWKOTPCHSA-N 2 2 342.443 1.104 20 0 EDADLP CC[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000359507215 446265646 /nfs/dbraw/zinc/26/56/46/446265646.db2.gz VHGNXDVZNWPVEZ-CABCVRRESA-N 2 2 337.468 1.273 20 0 EDADLP CC[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000359507215 446265649 /nfs/dbraw/zinc/26/56/49/446265649.db2.gz VHGNXDVZNWPVEZ-CABCVRRESA-N 2 2 337.468 1.273 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000365630781 446280439 /nfs/dbraw/zinc/28/04/39/446280439.db2.gz PPPDBSBJUHZHKW-ZDUSSCGKSA-N 2 2 333.436 1.320 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000365630781 446280444 /nfs/dbraw/zinc/28/04/44/446280444.db2.gz PPPDBSBJUHZHKW-ZDUSSCGKSA-N 2 2 333.436 1.320 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NCc2[nH+]c(C)n3c2CCCC3)C[C@H]1C ZINC000362293851 446309021 /nfs/dbraw/zinc/30/90/21/446309021.db2.gz PXFZGJVADSNRTH-CQSZACIVSA-N 2 2 349.479 1.390 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NCc2[nH+]c(C)n3c2CCCC3)C[C@H]1C ZINC000362293851 446309027 /nfs/dbraw/zinc/30/90/27/446309027.db2.gz PXFZGJVADSNRTH-CQSZACIVSA-N 2 2 349.479 1.390 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000366705851 446316549 /nfs/dbraw/zinc/31/65/49/446316549.db2.gz ALKMWNZKOBYWRQ-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000366705851 446316551 /nfs/dbraw/zinc/31/65/51/446316551.db2.gz ALKMWNZKOBYWRQ-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[N@H+](CCO)C1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359613656 446320337 /nfs/dbraw/zinc/32/03/37/446320337.db2.gz SBLJHIITEJENFE-MRXNPFEDSA-N 2 2 325.497 1.412 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359613656 446320342 /nfs/dbraw/zinc/32/03/42/446320342.db2.gz SBLJHIITEJENFE-MRXNPFEDSA-N 2 2 325.497 1.412 20 0 EDADLP O[C@H](C[NH+]1CCCO[C@H]2CCC[C@@H]21)C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000365737646 446322838 /nfs/dbraw/zinc/32/28/38/446322838.db2.gz OEFAOAKDINKFDW-FKSLSLAPSA-N 2 2 338.492 1.634 20 0 EDADLP O[C@H](C[NH+]1CCCO[C@H]2CCC[C@@H]21)C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000365737646 446322840 /nfs/dbraw/zinc/32/28/40/446322840.db2.gz OEFAOAKDINKFDW-FKSLSLAPSA-N 2 2 338.492 1.634 20 0 EDADLP O[C@@H](C[NH+]1CCCO[C@@H]2CCC[C@@H]21)C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000365737646 446322841 /nfs/dbraw/zinc/32/28/41/446322841.db2.gz OEFAOAKDINKFDW-FKSLSLAPSA-N 2 2 338.492 1.634 20 0 EDADLP O[C@@H](C[NH+]1CCCO[C@@H]2CCC[C@@H]21)C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000365737646 446322842 /nfs/dbraw/zinc/32/28/42/446322842.db2.gz OEFAOAKDINKFDW-FKSLSLAPSA-N 2 2 338.492 1.634 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[NH+](C2CCC2)CC1 ZINC000365768388 446335778 /nfs/dbraw/zinc/33/57/78/446335778.db2.gz MQPLBZASGQBXSH-SFHVURJKSA-N 2 2 328.460 1.743 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[NH+](C2CCC2)CC1 ZINC000365768388 446335779 /nfs/dbraw/zinc/33/57/79/446335779.db2.gz MQPLBZASGQBXSH-SFHVURJKSA-N 2 2 328.460 1.743 20 0 EDADLP Cc1noc2ncnc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c12 ZINC000373872930 446339606 /nfs/dbraw/zinc/33/96/06/446339606.db2.gz UJWQFTGGMSOXFT-LBPRGKRZSA-N 2 2 330.436 1.531 20 0 EDADLP Cc1noc2ncnc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c12 ZINC000373872930 446339611 /nfs/dbraw/zinc/33/96/11/446339611.db2.gz UJWQFTGGMSOXFT-LBPRGKRZSA-N 2 2 330.436 1.531 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc[nH+]2)C1 ZINC000373672703 446297497 /nfs/dbraw/zinc/29/74/97/446297497.db2.gz JEBJDLGDJMVVKC-OAGGEKHMSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)nc[nH+]2)C1 ZINC000373672703 446297502 /nfs/dbraw/zinc/29/75/02/446297502.db2.gz JEBJDLGDJMVVKC-OAGGEKHMSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)[nH+]cn2)C1 ZINC000373672703 446297507 /nfs/dbraw/zinc/29/75/07/446297507.db2.gz JEBJDLGDJMVVKC-OAGGEKHMSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)[nH+]cn2)C1 ZINC000373672703 446297513 /nfs/dbraw/zinc/29/75/13/446297513.db2.gz JEBJDLGDJMVVKC-OAGGEKHMSA-N 2 2 331.464 1.988 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2OCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000365839753 446365358 /nfs/dbraw/zinc/36/53/58/446365358.db2.gz STBLMKUEFFOLSI-DOTOQJQBSA-N 2 2 333.432 1.035 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2OCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000365839753 446365363 /nfs/dbraw/zinc/36/53/63/446365363.db2.gz STBLMKUEFFOLSI-DOTOQJQBSA-N 2 2 333.432 1.035 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cn(-c2ccccc2)nn1 ZINC000370643253 446370232 /nfs/dbraw/zinc/37/02/32/446370232.db2.gz IHJNSECIXKJFPA-OAHLLOKOSA-N 2 2 342.447 1.082 20 0 EDADLP C[NH2+]CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000417957950 446399944 /nfs/dbraw/zinc/39/99/44/446399944.db2.gz VALWSCHMKAIJCU-GJZGRUSLSA-N 2 2 340.855 1.230 20 0 EDADLP C[NH2+]CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000417957950 446399948 /nfs/dbraw/zinc/39/99/48/446399948.db2.gz VALWSCHMKAIJCU-GJZGRUSLSA-N 2 2 340.855 1.230 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000366839556 446377014 /nfs/dbraw/zinc/37/70/14/446377014.db2.gz BOAZCBGKWHMVCL-KRWDZBQOSA-N 2 2 332.448 1.687 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000366839557 446377346 /nfs/dbraw/zinc/37/73/46/446377346.db2.gz BOAZCBGKWHMVCL-QGZVFWFLSA-N 2 2 332.448 1.687 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000370678281 446383629 /nfs/dbraw/zinc/38/36/29/446383629.db2.gz VWTYUEKCPXVMRA-HZPDHXFCSA-N 2 2 331.395 1.804 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000370678281 446383632 /nfs/dbraw/zinc/38/36/32/446383632.db2.gz VWTYUEKCPXVMRA-HZPDHXFCSA-N 2 2 331.395 1.804 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000370680905 446384991 /nfs/dbraw/zinc/38/49/91/446384991.db2.gz BKOZVWCDFVUZGF-ZTFGCOKTSA-N 2 2 329.448 1.349 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000370680905 446384994 /nfs/dbraw/zinc/38/49/94/446384994.db2.gz BKOZVWCDFVUZGF-ZTFGCOKTSA-N 2 2 329.448 1.349 20 0 EDADLP NC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000370685070 446386720 /nfs/dbraw/zinc/38/67/20/446386720.db2.gz WRYFRIZRFABJGH-CQSZACIVSA-N 2 2 340.383 1.272 20 0 EDADLP NC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000370685070 446386725 /nfs/dbraw/zinc/38/67/25/446386725.db2.gz WRYFRIZRFABJGH-CQSZACIVSA-N 2 2 340.383 1.272 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc(C(N)=O)cs2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370696523 446391543 /nfs/dbraw/zinc/39/15/43/446391543.db2.gz CHOAZZYIBYNIIU-CZUORRHYSA-N 2 2 336.505 1.305 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc(C(N)=O)cs2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370696523 446391545 /nfs/dbraw/zinc/39/15/45/446391545.db2.gz CHOAZZYIBYNIIU-CZUORRHYSA-N 2 2 336.505 1.305 20 0 EDADLP COCC[C@@]1(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC[NH2+]C1 ZINC000370768122 446427164 /nfs/dbraw/zinc/42/71/64/446427164.db2.gz YFPYDLHDYVVLHN-IBGZPJMESA-N 2 2 344.459 1.867 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NC[C@@H]2CC[NH2+]CC2(F)F)[nH+]cn1 ZINC000420288269 446452327 /nfs/dbraw/zinc/45/23/27/446452327.db2.gz RXDQKDHELHGXLZ-QWHCGFSZSA-N 2 2 341.406 1.485 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NC[C@@H]2CC[NH2+]CC2(F)F)nc[nH+]1 ZINC000420288269 446452331 /nfs/dbraw/zinc/45/23/31/446452331.db2.gz RXDQKDHELHGXLZ-QWHCGFSZSA-N 2 2 341.406 1.485 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000376328078 446431322 /nfs/dbraw/zinc/43/13/22/446431322.db2.gz PEVMFYZTLBHPNK-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000376328078 446431325 /nfs/dbraw/zinc/43/13/25/446431325.db2.gz PEVMFYZTLBHPNK-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@H]1C[NH2+]CCCO1 ZINC000420270000 446441997 /nfs/dbraw/zinc/44/19/97/446441997.db2.gz JEPMOKNDBOFGKS-CQSZACIVSA-N 2 2 343.427 1.932 20 0 EDADLP CC(C)c1nc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)nc(N(C)C)[nH+]1 ZINC000420273824 446443726 /nfs/dbraw/zinc/44/37/26/446443726.db2.gz DJEPVSYBIUAWFV-LSDHHAIUSA-N 2 2 348.495 1.784 20 0 EDADLP CC(C)c1nc(N(C)C)nc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)[nH+]1 ZINC000420273824 446443730 /nfs/dbraw/zinc/44/37/30/446443730.db2.gz DJEPVSYBIUAWFV-LSDHHAIUSA-N 2 2 348.495 1.784 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)[nH+]1 ZINC000374902165 446445906 /nfs/dbraw/zinc/44/59/06/446445906.db2.gz LZVJIIZAEQJHJT-KRWDZBQOSA-N 3 2 345.491 1.430 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)[nH+]1 ZINC000374902165 446445912 /nfs/dbraw/zinc/44/59/12/446445912.db2.gz LZVJIIZAEQJHJT-KRWDZBQOSA-N 3 2 345.491 1.430 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000420284281 446450083 /nfs/dbraw/zinc/45/00/83/446450083.db2.gz CUUOOIGQGKWBJD-VIFPVBQESA-N 2 2 336.383 1.449 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(C(F)(F)F)cs2)C1 ZINC000420284281 446450088 /nfs/dbraw/zinc/45/00/88/446450088.db2.gz CUUOOIGQGKWBJD-VIFPVBQESA-N 2 2 336.383 1.449 20 0 EDADLP COc1cc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ncn1 ZINC000376270577 446407752 /nfs/dbraw/zinc/40/77/52/446407752.db2.gz PXPSXDWHPREARP-ZDUSSCGKSA-N 2 2 348.451 1.117 20 0 EDADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ncc(Cl)n3C)CCC[N@@H+]2C)cn1 ZINC000366928211 446413758 /nfs/dbraw/zinc/41/37/58/446413758.db2.gz RXADYRKZWFNRAB-WBMJQRKESA-N 2 2 336.871 1.980 20 0 EDADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ncc(Cl)n3C)CCC[N@H+]2C)cn1 ZINC000366928211 446413765 /nfs/dbraw/zinc/41/37/65/446413765.db2.gz RXADYRKZWFNRAB-WBMJQRKESA-N 2 2 336.871 1.980 20 0 EDADLP CCn1cncc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000418020893 446417154 /nfs/dbraw/zinc/41/71/54/446417154.db2.gz OKSNZBRHSWXQGT-GJZGRUSLSA-N 2 2 334.443 1.681 20 0 EDADLP CCn1cncc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000418020893 446417159 /nfs/dbraw/zinc/41/71/59/446417159.db2.gz OKSNZBRHSWXQGT-GJZGRUSLSA-N 2 2 334.443 1.681 20 0 EDADLP CCn1nncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418043267 446423243 /nfs/dbraw/zinc/42/32/43/446423243.db2.gz YWIDOKGDNDNGRT-SFHVURJKSA-N 2 2 329.448 1.679 20 0 EDADLP CCn1nncc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418043267 446423246 /nfs/dbraw/zinc/42/32/46/446423246.db2.gz YWIDOKGDNDNGRT-SFHVURJKSA-N 2 2 329.448 1.679 20 0 EDADLP CN(C(=O)NC1CCSCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376319812 446426496 /nfs/dbraw/zinc/42/64/96/446426496.db2.gz QZTVZEAAEAAAKF-MRXNPFEDSA-N 2 2 340.537 1.692 20 0 EDADLP CN(C(=O)NC1CCSCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376319812 446426498 /nfs/dbraw/zinc/42/64/98/446426498.db2.gz QZTVZEAAEAAAKF-MRXNPFEDSA-N 2 2 340.537 1.692 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370818589 446458713 /nfs/dbraw/zinc/45/87/13/446458713.db2.gz HAYVBMOMEAFXKU-QGZVFWFLSA-N 2 2 347.507 1.586 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370818589 446458720 /nfs/dbraw/zinc/45/87/20/446458720.db2.gz HAYVBMOMEAFXKU-QGZVFWFLSA-N 2 2 347.507 1.586 20 0 EDADLP COc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821563 446461386 /nfs/dbraw/zinc/46/13/86/446461386.db2.gz VCWMYQGBLAJNHF-MRXNPFEDSA-N 2 2 331.460 1.936 20 0 EDADLP COc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821563 446461394 /nfs/dbraw/zinc/46/13/94/446461394.db2.gz VCWMYQGBLAJNHF-MRXNPFEDSA-N 2 2 331.460 1.936 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423262922 446468902 /nfs/dbraw/zinc/46/89/02/446468902.db2.gz NTLQCFLSSITGJP-UONOGXRCSA-N 2 2 327.494 1.975 20 0 EDADLP COc1ccc([C@@H](C[NH3+])CN2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000420309678 446473035 /nfs/dbraw/zinc/47/30/35/446473035.db2.gz FALDSEMPWLKSEI-RBUKOAKNSA-N 2 2 347.503 1.924 20 0 EDADLP [NH3+]CC[N@H+](CCO)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420311381 446475737 /nfs/dbraw/zinc/47/57/37/446475737.db2.gz RAQBQCCSHVGCNZ-GOSISDBHSA-N 2 2 347.484 1.597 20 0 EDADLP [NH3+]CC[N@@H+](CCO)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420311381 446475745 /nfs/dbraw/zinc/47/57/45/446475745.db2.gz RAQBQCCSHVGCNZ-GOSISDBHSA-N 2 2 347.484 1.597 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420312998 446477551 /nfs/dbraw/zinc/47/75/51/446477551.db2.gz SZCNSNOFIJEEEQ-MAUKXSAKSA-N 2 2 345.443 1.105 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420312998 446477555 /nfs/dbraw/zinc/47/75/55/446477555.db2.gz SZCNSNOFIJEEEQ-MAUKXSAKSA-N 2 2 345.443 1.105 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000420320080 446484656 /nfs/dbraw/zinc/48/46/56/446484656.db2.gz SRPQTHMXFNMPKG-HNNXBMFYSA-N 2 2 333.432 1.923 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000420320080 446484666 /nfs/dbraw/zinc/48/46/66/446484666.db2.gz SRPQTHMXFNMPKG-HNNXBMFYSA-N 2 2 333.432 1.923 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC2([NH3+])CCCCCC2)CCO1 ZINC000418286919 446484424 /nfs/dbraw/zinc/48/44/24/446484424.db2.gz SKWVHOWLYVBIRQ-HNNXBMFYSA-N 2 2 326.485 1.448 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC2([NH3+])CCCCCC2)CCO1 ZINC000418286919 446484429 /nfs/dbraw/zinc/48/44/29/446484429.db2.gz SKWVHOWLYVBIRQ-HNNXBMFYSA-N 2 2 326.485 1.448 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)[NH+]2CCOCC2)c1 ZINC000423335066 446492894 /nfs/dbraw/zinc/49/28/94/446492894.db2.gz TXDWWLWPYZPMDH-LMMKCTJWSA-N 2 2 329.444 1.237 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423362449 446501724 /nfs/dbraw/zinc/50/17/24/446501724.db2.gz HVSHOKBJBDRJJL-JJRVBVJISA-N 3 2 327.419 1.754 20 0 EDADLP O=S(=O)(C1CC[NH+](CCCn2cc[nH+]c2)CC1)N1CCCC1 ZINC000367070185 446502621 /nfs/dbraw/zinc/50/26/21/446502621.db2.gz ATQUKKLGTLREKY-UHFFFAOYSA-N 2 2 326.466 1.163 20 0 EDADLP O[C@@H](COCC(F)(F)F)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432796179 446507463 /nfs/dbraw/zinc/50/74/63/446507463.db2.gz ZXYGTGTVKVCBSC-CHWSQXEVSA-N 2 2 347.381 1.949 20 0 EDADLP O[C@@H](COCC(F)(F)F)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432796179 446507472 /nfs/dbraw/zinc/50/74/72/446507472.db2.gz ZXYGTGTVKVCBSC-CHWSQXEVSA-N 2 2 347.381 1.949 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000420339422 446509329 /nfs/dbraw/zinc/50/93/29/446509329.db2.gz YVDQGNDYNDTQSC-GFCCVEGCSA-N 2 2 339.386 1.591 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)CC12CCOCC2 ZINC000420339422 446509334 /nfs/dbraw/zinc/50/93/34/446509334.db2.gz YVDQGNDYNDTQSC-GFCCVEGCSA-N 2 2 339.386 1.591 20 0 EDADLP CN(C(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1)C1CC1 ZINC000375012286 446511574 /nfs/dbraw/zinc/51/15/74/446511574.db2.gz KTCRFBISQZZCOI-UHFFFAOYSA-N 2 2 330.476 1.641 20 0 EDADLP CN(C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1)C1CC1 ZINC000375012286 446511581 /nfs/dbraw/zinc/51/15/81/446511581.db2.gz KTCRFBISQZZCOI-UHFFFAOYSA-N 2 2 330.476 1.641 20 0 EDADLP C[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C1CC([NH3+])C1 ZINC000420342253 446513732 /nfs/dbraw/zinc/51/37/32/446513732.db2.gz VRUFLQCISILXMU-UHFFFAOYSA-N 2 2 331.460 1.273 20 0 EDADLP C[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)C1CC([NH3+])C1 ZINC000420342253 446513741 /nfs/dbraw/zinc/51/37/41/446513741.db2.gz VRUFLQCISILXMU-UHFFFAOYSA-N 2 2 331.460 1.273 20 0 EDADLP C[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C1CC([NH3+])C1 ZINC000420330653 446499183 /nfs/dbraw/zinc/49/91/83/446499183.db2.gz LLFSFLQLTUTZDS-UHFFFAOYSA-N 2 2 329.366 1.999 20 0 EDADLP C[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C1CC([NH3+])C1 ZINC000420330653 446499187 /nfs/dbraw/zinc/49/91/87/446499187.db2.gz LLFSFLQLTUTZDS-UHFFFAOYSA-N 2 2 329.366 1.999 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC[N@@H+]1C[C@H](C)O ZINC000423401563 446518172 /nfs/dbraw/zinc/51/81/72/446518172.db2.gz XRVIRFAYOBTOER-HWWQOWPSSA-N 2 2 341.402 1.268 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC[N@H+]1C[C@H](C)O ZINC000423401563 446518176 /nfs/dbraw/zinc/51/81/76/446518176.db2.gz XRVIRFAYOBTOER-HWWQOWPSSA-N 2 2 341.402 1.268 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418388517 446524429 /nfs/dbraw/zinc/52/44/29/446524429.db2.gz QFNSGWZVDDCSOX-KGLIPLIRSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423424002 446529615 /nfs/dbraw/zinc/52/96/15/446529615.db2.gz FFRHFAKCRJPXIQ-CYBMUJFWSA-N 2 2 339.403 1.304 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@@H]4CC[N@H+](C)[C@@H]4C3)nc(N)c2cc1OC ZINC000375038061 446533402 /nfs/dbraw/zinc/53/34/02/446533402.db2.gz KMNXOYYRYQLCHZ-SMDDNHRTSA-N 2 2 343.431 1.760 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)nc(N)c2cc1OC ZINC000375038061 446533407 /nfs/dbraw/zinc/53/34/07/446533407.db2.gz KMNXOYYRYQLCHZ-SMDDNHRTSA-N 2 2 343.431 1.760 20 0 EDADLP C[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000420353630 446533475 /nfs/dbraw/zinc/53/34/75/446533475.db2.gz NLBASXJRFLWSSF-PWSUYJOCSA-N 2 2 349.353 1.014 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000420353630 446533480 /nfs/dbraw/zinc/53/34/80/446533480.db2.gz NLBASXJRFLWSSF-PWSUYJOCSA-N 2 2 349.353 1.014 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C[C@H]21 ZINC000375037645 446533930 /nfs/dbraw/zinc/53/39/30/446533930.db2.gz JJLLXUFTLMAFNF-ARFHVFGLSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C[C@H]21 ZINC000375037645 446533936 /nfs/dbraw/zinc/53/39/36/446533936.db2.gz JJLLXUFTLMAFNF-ARFHVFGLSA-N 2 2 331.464 1.216 20 0 EDADLP COc1ccc([C@@H](C[NH3+])CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000420355161 446534664 /nfs/dbraw/zinc/53/46/64/446534664.db2.gz DWKZLENECDUBSV-IBGZPJMESA-N 2 2 340.471 1.950 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000420355161 446534671 /nfs/dbraw/zinc/53/46/71/446534671.db2.gz DWKZLENECDUBSV-IBGZPJMESA-N 2 2 340.471 1.950 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420357971 446537722 /nfs/dbraw/zinc/53/77/22/446537722.db2.gz DZIRGUFVJAULBU-GDZNZVCISA-N 2 2 333.432 1.696 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000420361981 446541109 /nfs/dbraw/zinc/54/11/09/446541109.db2.gz YTIMTJJGNQLORW-GWCFXTLKSA-N 2 2 331.338 1.062 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000420361981 446541115 /nfs/dbraw/zinc/54/11/15/446541115.db2.gz YTIMTJJGNQLORW-GWCFXTLKSA-N 2 2 331.338 1.062 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420362836 446542812 /nfs/dbraw/zinc/54/28/12/446542812.db2.gz IZKXUJDELCBISF-CKFHNAJUSA-N 2 2 346.475 1.280 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423458829 446545331 /nfs/dbraw/zinc/54/53/31/446545331.db2.gz KIYZMLLGRLYLPQ-IKKRTKPYSA-N 2 2 335.492 1.510 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423458829 446545336 /nfs/dbraw/zinc/54/53/36/446545336.db2.gz KIYZMLLGRLYLPQ-IKKRTKPYSA-N 2 2 335.492 1.510 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)[C@@H]2C1 ZINC000420366982 446545842 /nfs/dbraw/zinc/54/58/42/446545842.db2.gz GJGYHYQZXDKPJL-LFDJNIOPSA-N 2 2 334.460 1.186 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)[C@@H]2C1 ZINC000420366982 446545850 /nfs/dbraw/zinc/54/58/50/446545850.db2.gz GJGYHYQZXDKPJL-LFDJNIOPSA-N 2 2 334.460 1.186 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)Cc2cnccn2)nc[nH+]1 ZINC000453161806 446549284 /nfs/dbraw/zinc/54/92/84/446549284.db2.gz QPLMUNCGMHZVLB-HIFRSBDPSA-N 2 2 327.436 1.498 20 0 EDADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433392379 446569426 /nfs/dbraw/zinc/56/94/26/446569426.db2.gz ZOTMWQPHQIFZHM-AWEZNQCLSA-N 2 2 337.387 1.845 20 0 EDADLP COCC1(O)CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000376561945 446578453 /nfs/dbraw/zinc/57/84/53/446578453.db2.gz PIVGPNXGPYYLBJ-UHFFFAOYSA-N 2 2 339.505 1.883 20 0 EDADLP COCC1(O)CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000376561945 446578459 /nfs/dbraw/zinc/57/84/59/446578459.db2.gz PIVGPNXGPYYLBJ-UHFFFAOYSA-N 2 2 339.505 1.883 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccc(C)cc3)CC2)C1 ZINC000371020073 446579961 /nfs/dbraw/zinc/57/99/61/446579961.db2.gz STEUKGRGIMMPNI-HXUWFJFHSA-N 2 2 331.504 1.876 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccc(C)cc3)CC2)C1 ZINC000371020073 446579966 /nfs/dbraw/zinc/57/99/66/446579966.db2.gz STEUKGRGIMMPNI-HXUWFJFHSA-N 2 2 331.504 1.876 20 0 EDADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423600604 446597523 /nfs/dbraw/zinc/59/75/23/446597523.db2.gz YVDSUORGBXCNBM-GOSISDBHSA-N 2 2 329.444 1.549 20 0 EDADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423600604 446597529 /nfs/dbraw/zinc/59/75/29/446597529.db2.gz YVDSUORGBXCNBM-GOSISDBHSA-N 2 2 329.444 1.549 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1 ZINC000376615771 446606070 /nfs/dbraw/zinc/60/60/70/446606070.db2.gz SBGDWZJIIZAPEJ-CEXWTWQISA-N 2 2 343.471 1.265 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cn[nH]c1 ZINC000371086831 446619927 /nfs/dbraw/zinc/61/99/27/446619927.db2.gz NBZJJBYECPNJPO-KTFSGNIMSA-N 2 2 346.479 1.423 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cn[nH]c1 ZINC000371086831 446619931 /nfs/dbraw/zinc/61/99/31/446619931.db2.gz NBZJJBYECPNJPO-KTFSGNIMSA-N 2 2 346.479 1.423 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000434273894 446635670 /nfs/dbraw/zinc/63/56/70/446635670.db2.gz IJMYLCYIWMBUGE-IXDOHACOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000434273894 446635677 /nfs/dbraw/zinc/63/56/77/446635677.db2.gz IJMYLCYIWMBUGE-IXDOHACOSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000371114830 446636400 /nfs/dbraw/zinc/63/64/00/446636400.db2.gz ZFLXZHXDQPFUTR-INIZCTEOSA-N 2 2 334.464 1.766 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC1CCOCC1 ZINC000371114830 446636405 /nfs/dbraw/zinc/63/64/05/446636405.db2.gz ZFLXZHXDQPFUTR-INIZCTEOSA-N 2 2 334.464 1.766 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[NH2+]CC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000376678557 446646314 /nfs/dbraw/zinc/64/63/14/446646314.db2.gz HGJYGUYFQDMFRW-MRXNPFEDSA-N 3 2 345.491 1.373 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000418772157 446690579 /nfs/dbraw/zinc/69/05/79/446690579.db2.gz UMEKKJRUYXTXSS-UONOGXRCSA-N 2 2 330.423 1.359 20 0 EDADLP CC1(C)C[N@H+](CCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)CCO1 ZINC000435348670 446693924 /nfs/dbraw/zinc/69/39/24/446693924.db2.gz DSQAICZORXSYPK-AWEZNQCLSA-N 2 2 335.452 1.590 20 0 EDADLP CC1(C)C[N@@H+](CCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)CCO1 ZINC000435348670 446693931 /nfs/dbraw/zinc/69/39/31/446693931.db2.gz DSQAICZORXSYPK-AWEZNQCLSA-N 2 2 335.452 1.590 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C(C)(C)C[NH3+])[NH+]2CCOCC2)s1 ZINC000423766643 446694765 /nfs/dbraw/zinc/69/47/65/446694765.db2.gz YCMYOZJIQAPHII-ZDUSSCGKSA-N 2 2 325.478 1.531 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cn21 ZINC000418784703 446701386 /nfs/dbraw/zinc/70/13/86/446701386.db2.gz CMXRQCDUROXXHF-OAHLLOKOSA-N 2 2 345.447 1.091 20 0 EDADLP COCC[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423837830 446726964 /nfs/dbraw/zinc/72/69/64/446726964.db2.gz XEXGJWRSLBZZPN-HOCLYGCPSA-N 2 2 343.830 1.577 20 0 EDADLP COCC[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423837830 446726968 /nfs/dbraw/zinc/72/69/68/446726968.db2.gz XEXGJWRSLBZZPN-HOCLYGCPSA-N 2 2 343.830 1.577 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3CC[NH2+]CC3(F)F)C2)CC1 ZINC000418759689 446679000 /nfs/dbraw/zinc/67/90/00/446679000.db2.gz KORSGAYERVZNPC-HUUCEWRRSA-N 2 2 344.450 1.605 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)C2)CC1 ZINC000418759686 446679301 /nfs/dbraw/zinc/67/93/01/446679301.db2.gz KORSGAYERVZNPC-GJZGRUSLSA-N 2 2 344.450 1.605 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCC([NH+]2CCCC2)CC1 ZINC000418759754 446679333 /nfs/dbraw/zinc/67/93/33/446679333.db2.gz KRUDFPWVSKDYMV-ZDUSSCGKSA-N 2 2 330.423 1.501 20 0 EDADLP CN(C)C(=O)[C@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000411950791 446758083 /nfs/dbraw/zinc/75/80/83/446758083.db2.gz ONDQGVLYOIQGMZ-OALUTQOASA-N 2 2 345.487 1.688 20 0 EDADLP CN(C)C(=O)[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000411950791 446758088 /nfs/dbraw/zinc/75/80/88/446758088.db2.gz ONDQGVLYOIQGMZ-OALUTQOASA-N 2 2 345.487 1.688 20 0 EDADLP CN(C)C(=O)[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000411950791 446758095 /nfs/dbraw/zinc/75/80/95/446758095.db2.gz ONDQGVLYOIQGMZ-OALUTQOASA-N 2 2 345.487 1.688 20 0 EDADLP CN(C)C(=O)[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000411950791 446758102 /nfs/dbraw/zinc/75/81/02/446758102.db2.gz ONDQGVLYOIQGMZ-OALUTQOASA-N 2 2 345.487 1.688 20 0 EDADLP CC(C)Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000376866308 446763616 /nfs/dbraw/zinc/76/36/16/446763616.db2.gz HYEDJUUNCDREIP-MRXNPFEDSA-N 2 2 333.480 1.437 20 0 EDADLP CC(C)Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000376866308 446763621 /nfs/dbraw/zinc/76/36/21/446763621.db2.gz HYEDJUUNCDREIP-MRXNPFEDSA-N 2 2 333.480 1.437 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376875123 446769507 /nfs/dbraw/zinc/76/95/07/446769507.db2.gz PXDFPHYADLLMAL-QGZVFWFLSA-N 2 2 332.448 1.617 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376875123 446769513 /nfs/dbraw/zinc/76/95/13/446769513.db2.gz PXDFPHYADLLMAL-QGZVFWFLSA-N 2 2 332.448 1.617 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000423923581 446774054 /nfs/dbraw/zinc/77/40/54/446774054.db2.gz XXGVXCBQOCDNNX-YDHLFZDLSA-N 2 2 326.416 1.303 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000423923581 446774056 /nfs/dbraw/zinc/77/40/56/446774056.db2.gz XXGVXCBQOCDNNX-YDHLFZDLSA-N 2 2 326.416 1.303 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000368323356 446785753 /nfs/dbraw/zinc/78/57/53/446785753.db2.gz YRMJVWNPEUBSHS-ALKREAHSSA-N 2 2 342.443 1.298 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000368323356 446785757 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Cc1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)nc(N2CCCC2)n1 ZINC000425342809 447121448 /nfs/dbraw/zinc/12/14/48/447121448.db2.gz AXMUONMKTSEKOR-UHFFFAOYSA-N 2 2 329.452 1.475 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375815925 447075335 /nfs/dbraw/zinc/07/53/35/447075335.db2.gz QYFOLNVXRMNTGI-ZIAGYGMSSA-N 2 2 336.436 1.321 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375815925 447075341 /nfs/dbraw/zinc/07/53/41/447075341.db2.gz QYFOLNVXRMNTGI-ZIAGYGMSSA-N 2 2 336.436 1.321 20 0 EDADLP CCN(CCC[NH+]1CCCC1)c1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000425256101 447082450 /nfs/dbraw/zinc/08/24/50/447082450.db2.gz OPCLQUNOCAQYNN-MRXNPFEDSA-N 2 2 333.480 2.380 20 0 EDADLP CCCN1C[C@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000421356890 447140297 /nfs/dbraw/zinc/14/02/97/447140297.db2.gz YQHBIADVIPINHJ-KRWDZBQOSA-N 2 2 330.476 1.894 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000375914351 447144345 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0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCN(c2nccn(C)c2=O)CC1 ZINC000377694312 447300082 /nfs/dbraw/zinc/30/00/82/447300082.db2.gz ILEDCVWVJKFINZ-UHFFFAOYSA-N 2 2 341.459 1.675 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000376093073 447264599 /nfs/dbraw/zinc/26/45/99/447264599.db2.gz HLBXLAGEJMFPDL-KBPBESRZSA-N 2 2 339.436 1.631 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000376093073 447264603 /nfs/dbraw/zinc/26/46/03/447264603.db2.gz HLBXLAGEJMFPDL-KBPBESRZSA-N 2 2 339.436 1.631 20 0 EDADLP Cc1cc(C)nc(C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000372758463 447272903 /nfs/dbraw/zinc/27/29/03/447272903.db2.gz RFWLVPBOKGZRME-UHFFFAOYSA-N 2 2 331.464 1.047 20 0 EDADLP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372778286 447282481 /nfs/dbraw/zinc/28/24/81/447282481.db2.gz BOEFFMLXEJWSGC-PMACEKPBSA-N 2 2 347.503 1.240 20 0 EDADLP c1cc(N2CC[NH+](CCCNc3nc(C4CC4)ns3)CC2)cc[nH+]1 ZINC000426505575 447460210 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20 0 EDADLP CC[N@H+](CCNC(=O)[C@H](C)N1CC[NH+](C)CC1)CCC(F)(F)F ZINC000427284541 447575365 /nfs/dbraw/zinc/57/53/65/447575365.db2.gz NSAPWVOYBPQOJJ-ZDUSSCGKSA-N 2 2 338.418 1.013 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@H](C)N1CC[NH+](C)CC1)CCC(F)(F)F ZINC000427284541 447575369 /nfs/dbraw/zinc/57/53/69/447575369.db2.gz NSAPWVOYBPQOJJ-ZDUSSCGKSA-N 2 2 338.418 1.013 20 0 EDADLP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+](C2CC2)C1 ZINC000457435683 447580306 /nfs/dbraw/zinc/58/03/06/447580306.db2.gz IKPHSJXOKPJOAH-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+](C2CC2)C1 ZINC000457435683 447580310 /nfs/dbraw/zinc/58/03/10/447580310.db2.gz IKPHSJXOKPJOAH-OAHLLOKOSA-N 2 2 338.496 1.223 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000459053888 447553658 /nfs/dbraw/zinc/55/36/58/447553658.db2.gz HYMWQURJHGRXJZ-OAHLLOKOSA-N 2 2 349.479 1.718 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000459068913 447560795 /nfs/dbraw/zinc/56/07/95/447560795.db2.gz WSMZAGWVDUPDHO-KGLIPLIRSA-N 2 2 337.468 1.451 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000459068913 447560799 /nfs/dbraw/zinc/56/07/99/447560799.db2.gz WSMZAGWVDUPDHO-KGLIPLIRSA-N 2 2 337.468 1.451 20 0 EDADLP CC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCC(F)(F)F ZINC000427256404 447569086 /nfs/dbraw/zinc/56/90/86/447569086.db2.gz KYKXNGXUHHBTNJ-LBPRGKRZSA-N 2 2 332.370 1.836 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCC(F)(F)F ZINC000427256404 447569092 /nfs/dbraw/zinc/56/90/92/447569092.db2.gz KYKXNGXUHHBTNJ-LBPRGKRZSA-N 2 2 332.370 1.836 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416316026 447571210 /nfs/dbraw/zinc/57/12/10/447571210.db2.gz VOADURUKSLESIW-ZIAGYGMSSA-N 2 2 330.432 1.258 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416316026 447571214 /nfs/dbraw/zinc/57/12/14/447571214.db2.gz VOADURUKSLESIW-ZIAGYGMSSA-N 2 2 330.432 1.258 20 0 EDADLP CC(=O)[C@](C)(O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450982907 447642810 /nfs/dbraw/zinc/64/28/10/447642810.db2.gz OBEKWZQTMCOJPB-WOJBJXKFSA-N 2 2 345.487 1.219 20 0 EDADLP CC(=O)[C@](C)(O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450982907 447642814 /nfs/dbraw/zinc/64/28/14/447642814.db2.gz OBEKWZQTMCOJPB-WOJBJXKFSA-N 2 2 345.487 1.219 20 0 EDADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450926683 447623136 /nfs/dbraw/zinc/62/31/36/447623136.db2.gz NFGDTLZTFVUHRQ-RDJZCZTQSA-N 2 2 337.464 1.423 20 0 EDADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450926683 447623140 /nfs/dbraw/zinc/62/31/40/447623140.db2.gz NFGDTLZTFVUHRQ-RDJZCZTQSA-N 2 2 337.464 1.423 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000457795182 447632166 /nfs/dbraw/zinc/63/21/66/447632166.db2.gz PFPVZHRIYWHUJM-MRXNPFEDSA-N 2 2 333.480 1.886 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000457795182 447632172 /nfs/dbraw/zinc/63/21/72/447632172.db2.gz PFPVZHRIYWHUJM-MRXNPFEDSA-N 2 2 333.480 1.886 20 0 EDADLP Cc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ncn1 ZINC000428437846 447700745 /nfs/dbraw/zinc/70/07/45/447700745.db2.gz UKHHZZASUMZZEX-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ncn1 ZINC000428437846 447700748 /nfs/dbraw/zinc/70/07/48/447700748.db2.gz UKHHZZASUMZZEX-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ncn1 ZINC000428437846 447700751 /nfs/dbraw/zinc/70/07/51/447700751.db2.gz UKHHZZASUMZZEX-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ncn1 ZINC000428437846 447700755 /nfs/dbraw/zinc/70/07/55/447700755.db2.gz UKHHZZASUMZZEX-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000416886352 447701492 /nfs/dbraw/zinc/70/14/92/447701492.db2.gz NJSKHQBFPXTXLC-MSOLQXFVSA-N 2 2 348.491 1.651 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C[C@H]1[NH3+] ZINC000416909499 447705401 /nfs/dbraw/zinc/70/54/01/447705401.db2.gz LABDLEFYSFWHEY-DFBGVHRSSA-N 2 2 331.395 1.637 20 0 EDADLP COc1ccc([C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000416910321 447706059 /nfs/dbraw/zinc/70/60/59/447706059.db2.gz RNTRZNIOGIXMFE-GDBMZVCRSA-N 2 2 343.431 1.569 20 0 EDADLP [NH3+][C@H](CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccccc1 ZINC000420180612 447657890 /nfs/dbraw/zinc/65/78/90/447657890.db2.gz BUVDXAJLVVCPSU-JKSUJKDBSA-N 2 2 327.432 1.940 20 0 EDADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000459416328 447657835 /nfs/dbraw/zinc/65/78/35/447657835.db2.gz VCZIPGGPNOMFAM-AWEZNQCLSA-N 2 2 333.436 1.316 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416914792 447707363 /nfs/dbraw/zinc/70/73/63/447707363.db2.gz LUFUJHGHDNLJJO-PBHICJAKSA-N 2 2 327.432 1.858 20 0 EDADLP COc1ccc([C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])c2[nH+]ccn2C)cc1 ZINC000416914269 447707630 /nfs/dbraw/zinc/70/76/30/447707630.db2.gz WXJGGNFOMHEGAG-GDBMZVCRSA-N 2 2 343.431 1.651 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422635272 447681404 /nfs/dbraw/zinc/68/14/04/447681404.db2.gz LFUCGNCCFKVZJU-GUTXKFCHSA-N 2 2 332.448 1.889 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422635272 447681411 /nfs/dbraw/zinc/68/14/11/447681411.db2.gz LFUCGNCCFKVZJU-GUTXKFCHSA-N 2 2 332.448 1.889 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000496105327 447713667 /nfs/dbraw/zinc/71/36/67/447713667.db2.gz KXHROPHKNJSIIM-CJNGLKHVSA-N 2 2 325.478 1.688 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000496105327 447713673 /nfs/dbraw/zinc/71/36/73/447713673.db2.gz KXHROPHKNJSIIM-CJNGLKHVSA-N 2 2 325.478 1.688 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1C[NH3+] ZINC000416938977 447715506 /nfs/dbraw/zinc/71/55/06/447715506.db2.gz MESAHFGDJYBKRQ-GOEBONIOSA-N 2 2 331.464 1.808 20 0 EDADLP [NH3+]C[C@@H]1CCCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416943560 447718582 /nfs/dbraw/zinc/71/85/82/447718582.db2.gz CIGONWHWJKWZTH-INIZCTEOSA-N 2 2 327.432 1.607 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000422707024 447721741 /nfs/dbraw/zinc/72/17/41/447721741.db2.gz GMBBRYXJLHTVSB-YOFSQIOKSA-N 3 2 328.504 1.807 20 0 EDADLP CN1CC[NH+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000422707024 447721747 /nfs/dbraw/zinc/72/17/47/447721747.db2.gz GMBBRYXJLHTVSB-YOFSQIOKSA-N 3 2 328.504 1.807 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422716741 447726457 /nfs/dbraw/zinc/72/64/57/447726457.db2.gz NTAMZTZZJIPRLU-ROUUACIJSA-N 3 2 330.476 1.233 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459663993 447736037 /nfs/dbraw/zinc/73/60/37/447736037.db2.gz PGUBLGMEESSHSL-UHFFFAOYSA-N 2 2 331.342 1.735 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000422744708 447736403 /nfs/dbraw/zinc/73/64/03/447736403.db2.gz KSGOGFKTJUBLTJ-OWCLPIDISA-N 2 2 339.505 1.478 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000417272725 447740870 /nfs/dbraw/zinc/74/08/70/447740870.db2.gz VWDDSDACRRZHCU-GOEBONIOSA-N 2 2 327.432 1.999 20 0 EDADLP C[C@]1(C[NH3+])CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417267143 447740909 /nfs/dbraw/zinc/74/09/09/447740909.db2.gz GPWKXZZQSSBLNN-QGZVFWFLSA-N 2 2 331.395 1.892 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000429431354 447748614 /nfs/dbraw/zinc/74/86/14/447748614.db2.gz YWDMHLZBFYIWSC-GOEBONIOSA-N 2 2 340.489 1.679 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000429431354 447748617 /nfs/dbraw/zinc/74/86/17/447748617.db2.gz YWDMHLZBFYIWSC-GOEBONIOSA-N 2 2 340.489 1.679 20 0 EDADLP CCOC[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000459711049 447748856 /nfs/dbraw/zinc/74/88/56/447748856.db2.gz LUPSLHSXUQLTCD-QGZVFWFLSA-N 2 2 349.475 1.815 20 0 EDADLP CCOC[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000459711049 447748858 /nfs/dbraw/zinc/74/88/58/447748858.db2.gz LUPSLHSXUQLTCD-QGZVFWFLSA-N 2 2 349.475 1.815 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000458274227 447759096 /nfs/dbraw/zinc/75/90/96/447759096.db2.gz JMKWJHYBSGPWQS-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000458274227 447759098 /nfs/dbraw/zinc/75/90/98/447759098.db2.gz JMKWJHYBSGPWQS-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000458274227 447759101 /nfs/dbraw/zinc/75/91/01/447759101.db2.gz JMKWJHYBSGPWQS-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000458274227 447759102 /nfs/dbraw/zinc/75/91/02/447759102.db2.gz JMKWJHYBSGPWQS-HNNXBMFYSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H](NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422823269 447760896 /nfs/dbraw/zinc/76/08/96/447760896.db2.gz DBGILXNVTCAJJF-DLBZAZTESA-N 2 2 332.496 1.109 20 0 EDADLP C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422823269 447760900 /nfs/dbraw/zinc/76/09/00/447760900.db2.gz DBGILXNVTCAJJF-DLBZAZTESA-N 2 2 332.496 1.109 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000422828191 447761717 /nfs/dbraw/zinc/76/17/17/447761717.db2.gz NUUHNLPLISGOHH-ZDUSSCGKSA-N 2 2 335.448 1.034 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000422828191 447761720 /nfs/dbraw/zinc/76/17/20/447761720.db2.gz NUUHNLPLISGOHH-ZDUSSCGKSA-N 2 2 335.448 1.034 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844109 447767544 /nfs/dbraw/zinc/76/75/44/447767544.db2.gz KWCILSZEZUQESA-AEFFLSMTSA-N 2 2 330.476 1.313 20 0 EDADLP C[C@H](CCCC[NH3+])[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422848185 447768815 /nfs/dbraw/zinc/76/88/15/447768815.db2.gz SVFVYHZFKICVIE-MRXNPFEDSA-N 3 2 333.480 1.227 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422948288 447778342 /nfs/dbraw/zinc/77/83/42/447778342.db2.gz RAIVJLJAJGOGHH-WWGRRREGSA-N 2 2 325.478 1.728 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953556 447779318 /nfs/dbraw/zinc/77/93/18/447779318.db2.gz FPHYWLGQOUENIX-SJORKVTESA-N 2 2 349.500 1.941 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430580608 447781489 /nfs/dbraw/zinc/78/14/89/447781489.db2.gz SEDDQLQEHIRHLI-GDBMZVCRSA-N 2 2 346.475 1.363 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430580608 447781491 /nfs/dbraw/zinc/78/14/91/447781491.db2.gz SEDDQLQEHIRHLI-GDBMZVCRSA-N 2 2 346.475 1.363 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430580610 447781843 /nfs/dbraw/zinc/78/18/43/447781843.db2.gz SEDDQLQEHIRHLI-GOEBONIOSA-N 2 2 346.475 1.363 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430580610 447781848 /nfs/dbraw/zinc/78/18/48/447781848.db2.gz SEDDQLQEHIRHLI-GOEBONIOSA-N 2 2 346.475 1.363 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc(C)[nH+]1 ZINC000422976553 447785044 /nfs/dbraw/zinc/78/50/44/447785044.db2.gz VFKSBYVFWRPAEH-INIZCTEOSA-N 2 2 332.448 1.338 20 0 EDADLP c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(OC2CCOCC2)n1 ZINC000422974211 447785757 /nfs/dbraw/zinc/78/57/57/447785757.db2.gz DLQYGBWUGXDJSS-MJGOQNOKSA-N 2 2 347.459 1.496 20 0 EDADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422977035 447786149 /nfs/dbraw/zinc/78/61/49/447786149.db2.gz JGFHUZOIAAOXHO-HNAYVOBHSA-N 3 2 326.444 1.782 20 0 EDADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422977035 447786152 /nfs/dbraw/zinc/78/61/52/447786152.db2.gz JGFHUZOIAAOXHO-HNAYVOBHSA-N 3 2 326.444 1.782 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496701970 447851807 /nfs/dbraw/zinc/85/18/07/447851807.db2.gz WHDCHIYBFABAST-HACGYAERSA-N 2 2 327.469 1.334 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496701970 447851809 /nfs/dbraw/zinc/85/18/09/447851809.db2.gz WHDCHIYBFABAST-HACGYAERSA-N 2 2 327.469 1.334 20 0 EDADLP CNC(=O)C[C@H](C)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000482724169 447824977 /nfs/dbraw/zinc/82/49/77/447824977.db2.gz RPBXAPRIPWNOKS-HNNXBMFYSA-N 2 2 325.497 1.914 20 0 EDADLP CNC(=O)C[C@H](C)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000482724169 447824978 /nfs/dbraw/zinc/82/49/78/447824978.db2.gz RPBXAPRIPWNOKS-HNNXBMFYSA-N 2 2 325.497 1.914 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000569707165 447872947 /nfs/dbraw/zinc/87/29/47/447872947.db2.gz ZNXIJJYLIDHQGZ-RDJZCZTQSA-N 2 2 326.444 1.957 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000569707165 447872951 /nfs/dbraw/zinc/87/29/51/447872951.db2.gz ZNXIJJYLIDHQGZ-RDJZCZTQSA-N 2 2 326.444 1.957 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000575780535 447897372 /nfs/dbraw/zinc/89/73/72/447897372.db2.gz JFJNPCUXJSWYJW-IYBDPMFKSA-N 2 2 325.416 1.908 20 0 EDADLP C[C@H](Cn1cccn1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000523813182 447909665 /nfs/dbraw/zinc/90/96/65/447909665.db2.gz JSMHJRCJICBMDU-OAHLLOKOSA-N 2 2 348.495 1.129 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000523935543 447910234 /nfs/dbraw/zinc/91/02/34/447910234.db2.gz VLQNRCHDEYUUSM-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000523935543 447910237 /nfs/dbraw/zinc/91/02/37/447910237.db2.gz VLQNRCHDEYUUSM-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CC[C@@H](CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000523935543 447910241 /nfs/dbraw/zinc/91/02/41/447910241.db2.gz VLQNRCHDEYUUSM-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CC[C@@H](CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000523935543 447910247 /nfs/dbraw/zinc/91/02/47/447910247.db2.gz VLQNRCHDEYUUSM-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC(n2cc[nH+]c2)C1 ZINC000530584799 447921434 /nfs/dbraw/zinc/92/14/34/447921434.db2.gz DMLZPNFSHXOVHV-UHFFFAOYSA-N 2 2 339.443 1.479 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000525670398 448008116 /nfs/dbraw/zinc/00/81/16/448008116.db2.gz JZOQIMUWOIAMLN-FUHWJXTLSA-N 2 2 339.524 1.970 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000525670398 448008120 /nfs/dbraw/zinc/00/81/20/448008120.db2.gz JZOQIMUWOIAMLN-FUHWJXTLSA-N 2 2 339.524 1.970 20 0 EDADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000570411571 448008285 /nfs/dbraw/zinc/00/82/85/448008285.db2.gz OUQSBTGGBQCCID-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC(n2cc[nH+]c2)C1 ZINC000531062117 448011559 /nfs/dbraw/zinc/01/15/59/448011559.db2.gz DNCPTEZINMCWNM-SFHVURJKSA-N 2 2 340.427 1.558 20 0 EDADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC(n2cc[nH+]c2)C1 ZINC000531062117 448011561 /nfs/dbraw/zinc/01/15/61/448011561.db2.gz DNCPTEZINMCWNM-SFHVURJKSA-N 2 2 340.427 1.558 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)ccc2n1C ZINC000525907906 448054271 /nfs/dbraw/zinc/05/42/71/448054271.db2.gz MISQHATZMIMNMN-NEPJUHHUSA-N 2 2 343.431 1.371 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)ccc2n1C ZINC000525907906 448054278 /nfs/dbraw/zinc/05/42/78/448054278.db2.gz MISQHATZMIMNMN-NEPJUHHUSA-N 2 2 343.431 1.371 20 0 EDADLP Cc1cc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)n(C2CC[NH+](C)CC2)n1 ZINC000531426360 448082882 /nfs/dbraw/zinc/08/28/82/448082882.db2.gz SVFPYBJTTZNDBF-CQSZACIVSA-N 2 2 345.451 1.865 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000531898662 448170116 /nfs/dbraw/zinc/17/01/16/448170116.db2.gz WBVKIQKTXLGDKR-MRXNPFEDSA-N 2 2 340.427 1.709 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000497072316 448175066 /nfs/dbraw/zinc/17/50/66/448175066.db2.gz NJSJRJLQKYXAGB-HNNXBMFYSA-N 2 2 341.496 1.632 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000497072316 448175071 /nfs/dbraw/zinc/17/50/71/448175071.db2.gz NJSJRJLQKYXAGB-HNNXBMFYSA-N 2 2 341.496 1.632 20 0 EDADLP C[C@H]1Cc2ccccc2N1CC[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000582415197 448229858 /nfs/dbraw/zinc/22/98/58/448229858.db2.gz FTXDXQDDUCNYBY-DODZYUBVSA-N 2 2 347.503 1.497 20 0 EDADLP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)nn1 ZINC000577174307 448225823 /nfs/dbraw/zinc/22/58/23/448225823.db2.gz ZDAPAUCVXIBJPU-UHFFFAOYSA-N 2 2 348.476 1.037 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nn1-c1ccc(C)cc1 ZINC000562756801 448267970 /nfs/dbraw/zinc/26/79/70/448267970.db2.gz HXSKWNMLQWOJTF-INIZCTEOSA-N 2 2 342.447 1.596 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nn1-c1ccc(C)cc1 ZINC000562756801 448267975 /nfs/dbraw/zinc/26/79/75/448267975.db2.gz HXSKWNMLQWOJTF-INIZCTEOSA-N 2 2 342.447 1.596 20 0 EDADLP CCOC(=O)[C@H](CC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591069084 448252384 /nfs/dbraw/zinc/25/23/84/448252384.db2.gz QHVDAVSIIDZOJY-HZPDHXFCSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@H](CC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591069084 448252390 /nfs/dbraw/zinc/25/23/90/448252390.db2.gz QHVDAVSIIDZOJY-HZPDHXFCSA-N 2 2 339.480 1.203 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000591092798 448259111 /nfs/dbraw/zinc/25/91/11/448259111.db2.gz BROQGKSUDIHBRE-HNNXBMFYSA-N 2 2 331.464 1.509 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000591092798 448259117 /nfs/dbraw/zinc/25/91/17/448259117.db2.gz BROQGKSUDIHBRE-HNNXBMFYSA-N 2 2 331.464 1.509 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000571999416 448259124 /nfs/dbraw/zinc/25/91/24/448259124.db2.gz DCZNDOOKZUSWMR-SYQHCUMBSA-N 2 2 333.423 1.234 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[NH+]2CCOCC2)c1 ZINC000591097379 448260310 /nfs/dbraw/zinc/26/03/10/448260310.db2.gz PQGXYSRCVITHJE-QZTJIDSGSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[NH+]2CCOCC2)c1 ZINC000591097379 448260315 /nfs/dbraw/zinc/26/03/15/448260315.db2.gz PQGXYSRCVITHJE-QZTJIDSGSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000532792912 448315484 /nfs/dbraw/zinc/31/54/84/448315484.db2.gz BDWCLUZBKNXFQR-GOEBONIOSA-N 2 2 331.464 1.947 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000532792912 448315487 /nfs/dbraw/zinc/31/54/87/448315487.db2.gz BDWCLUZBKNXFQR-GOEBONIOSA-N 2 2 331.464 1.947 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000582604917 448287753 /nfs/dbraw/zinc/28/77/53/448287753.db2.gz MMJPFWIWZFXJCS-LKTVYLICSA-N 2 2 338.427 1.176 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000582604917 448287759 /nfs/dbraw/zinc/28/77/59/448287759.db2.gz MMJPFWIWZFXJCS-LKTVYLICSA-N 2 2 338.427 1.176 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000582830244 448349670 /nfs/dbraw/zinc/34/96/70/448349670.db2.gz MLAWADFZBISVRA-HOTGVXAUSA-N 2 2 326.485 1.079 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000582830244 448349674 /nfs/dbraw/zinc/34/96/74/448349674.db2.gz MLAWADFZBISVRA-HOTGVXAUSA-N 2 2 326.485 1.079 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)CC2 ZINC000572374316 448361367 /nfs/dbraw/zinc/36/13/67/448361367.db2.gz DMKGBRVLUJXVBO-CZUORRHYSA-N 2 2 347.459 1.400 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)CC2 ZINC000572374316 448361375 /nfs/dbraw/zinc/36/13/75/448361375.db2.gz DMKGBRVLUJXVBO-CZUORRHYSA-N 2 2 347.459 1.400 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000516025745 448370439 /nfs/dbraw/zinc/37/04/39/448370439.db2.gz ITIPBERQFCTBQT-HUUCEWRRSA-N 2 2 347.463 1.310 20 0 EDADLP COc1ccc(CC[C@@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000516023849 448370702 /nfs/dbraw/zinc/37/07/02/448370702.db2.gz SUYVYPWPZDBVHL-GDBMZVCRSA-N 2 2 334.464 1.301 20 0 EDADLP COc1ccc(CC[C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000516023849 448370708 /nfs/dbraw/zinc/37/07/08/448370708.db2.gz SUYVYPWPZDBVHL-GDBMZVCRSA-N 2 2 334.464 1.301 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)n[nH]1 ZINC000582972888 448393316 /nfs/dbraw/zinc/39/33/16/448393316.db2.gz VIMVTHWWFFEQIH-JSGCOSHPSA-N 2 2 342.447 1.839 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)n[nH]1 ZINC000582972888 448393326 /nfs/dbraw/zinc/39/33/26/448393326.db2.gz VIMVTHWWFFEQIH-JSGCOSHPSA-N 2 2 342.447 1.839 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000516185074 448393677 /nfs/dbraw/zinc/39/36/77/448393677.db2.gz QEXJDNGZXFLJOW-HKUYNNGSSA-N 2 2 333.476 1.820 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000516185074 448393684 /nfs/dbraw/zinc/39/36/84/448393684.db2.gz QEXJDNGZXFLJOW-HKUYNNGSSA-N 2 2 333.476 1.820 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591578624 448395179 /nfs/dbraw/zinc/39/51/79/448395179.db2.gz RKNLIOGSWCECGP-HNNXBMFYSA-N 2 2 332.448 1.022 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591578624 448395182 /nfs/dbraw/zinc/39/51/82/448395182.db2.gz RKNLIOGSWCECGP-HNNXBMFYSA-N 2 2 332.448 1.022 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380707 /nfs/dbraw/zinc/38/07/07/448380707.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 3 2 343.515 1.868 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380717 /nfs/dbraw/zinc/38/07/17/448380717.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380722 /nfs/dbraw/zinc/38/07/22/448380722.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380728 /nfs/dbraw/zinc/38/07/28/448380728.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 3 2 343.515 1.868 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000533866303 448426815 /nfs/dbraw/zinc/42/68/15/448426815.db2.gz YPYYBLWWANURRF-NSHDSACASA-N 2 2 342.428 1.853 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000533866303 448426823 /nfs/dbraw/zinc/42/68/23/448426823.db2.gz YPYYBLWWANURRF-NSHDSACASA-N 2 2 342.428 1.853 20 0 EDADLP CN(C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1nccs1 ZINC000566299640 448440001 /nfs/dbraw/zinc/44/00/01/448440001.db2.gz FMMPEKFNSZNERS-HIFRSBDPSA-N 2 2 338.477 1.324 20 0 EDADLP C[C@H]1C[C@H]1[N@@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H](C)C1 ZINC000516614887 448447740 /nfs/dbraw/zinc/44/77/40/448447740.db2.gz KMPGIEGGUUQERR-MELADBBJSA-N 2 2 327.436 1.411 20 0 EDADLP C[C@H]1C[C@H]1[N@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H](C)C1 ZINC000516614887 448447745 /nfs/dbraw/zinc/44/77/45/448447745.db2.gz KMPGIEGGUUQERR-MELADBBJSA-N 2 2 327.436 1.411 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1OC ZINC000566411944 448463433 /nfs/dbraw/zinc/46/34/33/448463433.db2.gz OCQHIUXUURBENV-HIFRSBDPSA-N 2 2 335.448 1.474 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1OC ZINC000566411944 448463437 /nfs/dbraw/zinc/46/34/37/448463437.db2.gz OCQHIUXUURBENV-HIFRSBDPSA-N 2 2 335.448 1.474 20 0 EDADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(OC[C@@H]2CCOC2)c1 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/nfs/dbraw/zinc/87/38/17/448873817.db2.gz ABIFLGWPFKPBHE-NSHDSACASA-N 2 2 325.332 1.073 20 0 EDADLP CCNc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000574432849 448874190 /nfs/dbraw/zinc/87/41/90/448874190.db2.gz MXWAPWJIVBWOGR-ZIAGYGMSSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nc(NC(C)(C)C)[nH+]1 ZINC000574432849 448874195 /nfs/dbraw/zinc/87/41/95/448874195.db2.gz MXWAPWJIVBWOGR-ZIAGYGMSSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[nH+]1 ZINC000574432849 448874197 /nfs/dbraw/zinc/87/41/97/448874197.db2.gz MXWAPWJIVBWOGR-ZIAGYGMSSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[nH+]1 ZINC000574432849 448874201 /nfs/dbraw/zinc/87/42/01/448874201.db2.gz MXWAPWJIVBWOGR-ZIAGYGMSSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000574432849 448874206 /nfs/dbraw/zinc/87/42/06/448874206.db2.gz MXWAPWJIVBWOGR-ZIAGYGMSSA-N 2 2 347.511 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000574432849 448874212 /nfs/dbraw/zinc/87/42/12/448874212.db2.gz MXWAPWJIVBWOGR-ZIAGYGMSSA-N 2 2 347.511 1.856 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568487749 448877530 /nfs/dbraw/zinc/87/75/30/448877530.db2.gz AISMPNSISXLHJS-KGLIPLIRSA-N 2 2 341.415 1.121 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000574463769 448880061 /nfs/dbraw/zinc/88/00/61/448880061.db2.gz VKYWMEXHLMAJSG-CQSZACIVSA-N 2 2 330.436 1.056 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000574463769 448880067 /nfs/dbraw/zinc/88/00/67/448880067.db2.gz VKYWMEXHLMAJSG-CQSZACIVSA-N 2 2 330.436 1.056 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000574463769 448880072 /nfs/dbraw/zinc/88/00/72/448880072.db2.gz VKYWMEXHLMAJSG-CQSZACIVSA-N 2 2 330.436 1.056 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000574463769 448880074 /nfs/dbraw/zinc/88/00/74/448880074.db2.gz VKYWMEXHLMAJSG-CQSZACIVSA-N 2 2 330.436 1.056 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000579812527 448881488 /nfs/dbraw/zinc/88/14/88/448881488.db2.gz CUJQVBSEPBHHFL-XYVMCAHJSA-N 2 2 346.475 1.150 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000592485778 448857199 /nfs/dbraw/zinc/85/71/99/448857199.db2.gz YOGQOMCKBOXABL-ZDUSSCGKSA-N 2 2 333.432 1.291 20 0 EDADLP CCc1[nH+]c2cc(C[NH2+]CCC(=O)NC(N)=O)ccc2n1C1CC1 ZINC000579705692 448857900 /nfs/dbraw/zinc/85/79/00/448857900.db2.gz SKLGSNFBZOMXEL-UHFFFAOYSA-N 2 2 329.404 1.608 20 0 EDADLP COC[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000574631342 448919070 /nfs/dbraw/zinc/91/90/70/448919070.db2.gz GILAZGMIMADQAP-KRWDZBQOSA-N 2 2 341.883 1.449 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000529667898 448922161 /nfs/dbraw/zinc/92/21/61/448922161.db2.gz BJQAEPVIPGWAHH-OAHLLOKOSA-N 2 2 327.428 1.889 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000529667898 448922166 /nfs/dbraw/zinc/92/21/66/448922166.db2.gz BJQAEPVIPGWAHH-OAHLLOKOSA-N 2 2 327.428 1.889 20 0 EDADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579979165 448928391 /nfs/dbraw/zinc/92/83/91/448928391.db2.gz SFJACCRMXLJROD-LSDHHAIUSA-N 2 2 326.400 1.394 20 0 EDADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579979165 448928398 /nfs/dbraw/zinc/92/83/98/448928398.db2.gz SFJACCRMXLJROD-LSDHHAIUSA-N 2 2 326.400 1.394 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000574688309 448933136 /nfs/dbraw/zinc/93/31/36/448933136.db2.gz KQLHDSQIIYTWGY-HNNXBMFYSA-N 2 2 337.468 1.178 20 0 EDADLP COc1cccc(Cl)c1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000574750785 448947164 /nfs/dbraw/zinc/94/71/64/448947164.db2.gz CUDBFCRBGDRBTG-ZDUSSCGKSA-N 2 2 327.856 1.047 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC000529836640 448978201 /nfs/dbraw/zinc/97/82/01/448978201.db2.gz QWZMVQFSKPBSDU-RDJZCZTQSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC000529836640 448978204 /nfs/dbraw/zinc/97/82/04/448978204.db2.gz QWZMVQFSKPBSDU-RDJZCZTQSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000529836640 448978212 /nfs/dbraw/zinc/97/82/12/448978212.db2.gz QWZMVQFSKPBSDU-RDJZCZTQSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC000529836640 448978217 /nfs/dbraw/zinc/97/82/17/448978217.db2.gz QWZMVQFSKPBSDU-RDJZCZTQSA-N 2 2 331.460 1.728 20 0 EDADLP Brc1cnn(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000569211587 448979537 /nfs/dbraw/zinc/97/95/37/448979537.db2.gz XMDZJZKJJWDLQJ-CHWSQXEVSA-N 2 2 329.242 1.002 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000569211729 448979597 /nfs/dbraw/zinc/97/95/97/448979597.db2.gz BTAVJMPKTPJOMD-IRXDYDNUSA-N 3 2 345.491 1.241 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000569211729 448979601 /nfs/dbraw/zinc/97/96/01/448979601.db2.gz BTAVJMPKTPJOMD-IRXDYDNUSA-N 2 2 345.491 1.241 20 0 EDADLP [NH3+]C[C@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000521410866 448980890 /nfs/dbraw/zinc/98/08/90/448980890.db2.gz AFERQJJJDSFKJZ-CQSZACIVSA-N 2 2 331.395 1.892 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)Cn2cc[nH+]c2)CC1 ZINC000520929733 448940850 /nfs/dbraw/zinc/94/08/50/448940850.db2.gz YSTMBQGKZWAHDO-UHFFFAOYSA-N 2 2 341.415 1.186 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000521436401 448986329 /nfs/dbraw/zinc/98/63/29/448986329.db2.gz VWQSPKOLOOEATA-OAHLLOKOSA-N 2 2 337.439 1.899 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000521436401 448986334 /nfs/dbraw/zinc/98/63/34/448986334.db2.gz VWQSPKOLOOEATA-OAHLLOKOSA-N 2 2 337.439 1.899 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)nc[nH+]2)C1 ZINC000575019023 449015712 /nfs/dbraw/zinc/01/57/12/449015712.db2.gz JNQRGOHPDIDCRB-DNLWUEFJSA-N 2 2 345.491 1.745 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)nc[nH+]2)C1 ZINC000575019023 449015715 /nfs/dbraw/zinc/01/57/15/449015715.db2.gz JNQRGOHPDIDCRB-DNLWUEFJSA-N 2 2 345.491 1.745 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)[nH+]cn2)C1 ZINC000575019023 449015717 /nfs/dbraw/zinc/01/57/17/449015717.db2.gz JNQRGOHPDIDCRB-DNLWUEFJSA-N 2 2 345.491 1.745 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)[nH+]cn2)C1 ZINC000575019023 449015720 /nfs/dbraw/zinc/01/57/20/449015720.db2.gz JNQRGOHPDIDCRB-DNLWUEFJSA-N 2 2 345.491 1.745 20 0 EDADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ncccc3O)CC2)C[C@@H](C)O1 ZINC000575028287 449017057 /nfs/dbraw/zinc/01/70/57/449017057.db2.gz ZYRMNRISRWKZGE-HZPDHXFCSA-N 2 2 349.475 1.877 20 0 EDADLP C[C@H](OCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000521841003 449017763 /nfs/dbraw/zinc/01/77/63/449017763.db2.gz QFJUFNCEICVLCU-DOTOQJQBSA-N 2 2 334.464 1.439 20 0 EDADLP C[C@H](OCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000521841003 449017769 /nfs/dbraw/zinc/01/77/69/449017769.db2.gz QFJUFNCEICVLCU-DOTOQJQBSA-N 2 2 334.464 1.439 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000522022098 449043833 /nfs/dbraw/zinc/04/38/33/449043833.db2.gz MUXPPUQNIYMTRJ-NVXWUHKLSA-N 2 2 334.464 1.227 20 0 EDADLP C[N@@H+]1CCc2ncnc(NCc3cccc(Cn4cc[nH+]c4)c3)c2C1 ZINC000522232005 449065578 /nfs/dbraw/zinc/06/55/78/449065578.db2.gz PVLIFQSUOCSJKX-UHFFFAOYSA-N 2 2 334.427 2.321 20 0 EDADLP C[N@H+]1CCc2ncnc(NCc3cccc(Cn4cc[nH+]c4)c3)c2C1 ZINC000522232005 449065580 /nfs/dbraw/zinc/06/55/80/449065580.db2.gz PVLIFQSUOCSJKX-UHFFFAOYSA-N 2 2 334.427 2.321 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H]4C[C@H]3C[S@]4=O)c2cc1C ZINC000593101038 449135323 /nfs/dbraw/zinc/13/53/23/449135323.db2.gz MIFWQWGAKUUDSL-WBVLODKDSA-N 2 2 333.457 1.219 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H]4C[C@H]3C[S@]4=O)c2cc1C ZINC000593101038 449135324 /nfs/dbraw/zinc/13/53/24/449135324.db2.gz MIFWQWGAKUUDSL-WBVLODKDSA-N 2 2 333.457 1.219 20 0 EDADLP c1cn(-c2ccc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)c[nH+]1 ZINC000530240023 449090513 /nfs/dbraw/zinc/09/05/13/449090513.db2.gz JSSCNVDKOUKHJQ-SFHVURJKSA-N 3 2 341.459 1.858 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000530245015 449093845 /nfs/dbraw/zinc/09/38/45/449093845.db2.gz RQFAOAHQYPJBGD-QGZVFWFLSA-N 2 2 347.459 1.584 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc2c[nH]nc2c1 ZINC000530284183 449103832 /nfs/dbraw/zinc/10/38/32/449103832.db2.gz JXNJPAMIAXIYMD-UHFFFAOYSA-N 2 2 343.475 1.590 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc2c[nH]nc2c1 ZINC000530284183 449103839 /nfs/dbraw/zinc/10/38/39/449103839.db2.gz JXNJPAMIAXIYMD-UHFFFAOYSA-N 2 2 343.475 1.590 20 0 EDADLP CN(C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604208250 449191224 /nfs/dbraw/zinc/19/12/24/449191224.db2.gz IGPCKRZWIQMCBD-YJBOKZPZSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000604208250 449191233 /nfs/dbraw/zinc/19/12/33/449191233.db2.gz IGPCKRZWIQMCBD-YJBOKZPZSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000604208250 449191239 /nfs/dbraw/zinc/19/12/39/449191239.db2.gz IGPCKRZWIQMCBD-YJBOKZPZSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000604208250 449191244 /nfs/dbraw/zinc/19/12/44/449191244.db2.gz IGPCKRZWIQMCBD-YJBOKZPZSA-N 3 2 349.523 1.033 20 0 EDADLP CC[C@H](C)[C@@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604210128 449193844 /nfs/dbraw/zinc/19/38/44/449193844.db2.gz WLGFECXZFPTPAJ-MPGHIAIKSA-N 2 2 340.512 1.251 20 0 EDADLP CC[C@H](C)[C@@](C)(O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604210128 449193849 /nfs/dbraw/zinc/19/38/49/449193849.db2.gz WLGFECXZFPTPAJ-MPGHIAIKSA-N 2 2 340.512 1.251 20 0 EDADLP CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595892681 449237794 /nfs/dbraw/zinc/23/77/94/449237794.db2.gz OEXHLVDUOUCSTN-SJORKVTESA-N 2 2 332.444 1.614 20 0 EDADLP CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595892681 449237798 /nfs/dbraw/zinc/23/77/98/449237798.db2.gz OEXHLVDUOUCSTN-SJORKVTESA-N 2 2 332.444 1.614 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)OCC2(C)C)CC1 ZINC000604388254 449222845 /nfs/dbraw/zinc/22/28/45/449222845.db2.gz HKAHUVSJGBSQSY-UHFFFAOYSA-N 2 2 325.497 1.865 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)OCC2(C)C)CC1 ZINC000604388254 449222850 /nfs/dbraw/zinc/22/28/50/449222850.db2.gz HKAHUVSJGBSQSY-UHFFFAOYSA-N 2 2 325.497 1.865 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000604774258 449294604 /nfs/dbraw/zinc/29/46/04/449294604.db2.gz MAIDEJLSWIBWDY-QZTJIDSGSA-N 2 2 345.487 1.928 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000604774258 449294609 /nfs/dbraw/zinc/29/46/09/449294609.db2.gz MAIDEJLSWIBWDY-QZTJIDSGSA-N 2 2 345.487 1.928 20 0 EDADLP CCOC(=O)c1nnn(C2CC[NH+](CC(C)(C)[NH3+])CC2)c1C(F)F ZINC000602020451 449279615 /nfs/dbraw/zinc/27/96/15/449279615.db2.gz LEDFZMISFBKGGO-UHFFFAOYSA-N 2 2 345.394 1.767 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000616994695 449420457 /nfs/dbraw/zinc/42/04/57/449420457.db2.gz CQFPXCXMOCPFMU-ZDUSSCGKSA-N 2 2 328.420 1.513 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000616994695 449420463 /nfs/dbraw/zinc/42/04/63/449420463.db2.gz CQFPXCXMOCPFMU-ZDUSSCGKSA-N 2 2 328.420 1.513 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCn3cc(Cl)cn3)C2)CC1 ZINC000602194336 449423780 /nfs/dbraw/zinc/42/37/80/449423780.db2.gz JTRFGUXMJDZNCY-CQSZACIVSA-N 2 2 339.871 1.211 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCn3cc(Cl)cn3)C2)CC1 ZINC000602194336 449423783 /nfs/dbraw/zinc/42/37/83/449423783.db2.gz JTRFGUXMJDZNCY-CQSZACIVSA-N 2 2 339.871 1.211 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4S3)C2)CC1 ZINC000602199927 449428992 /nfs/dbraw/zinc/42/89/92/449428992.db2.gz BPHWYOJZHKDQTF-YJBOKZPZSA-N 2 2 345.512 1.988 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4S3)C2)CC1 ZINC000602199927 449428998 /nfs/dbraw/zinc/42/89/98/449428998.db2.gz BPHWYOJZHKDQTF-YJBOKZPZSA-N 2 2 345.512 1.988 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611693577 449385412 /nfs/dbraw/zinc/38/54/12/449385412.db2.gz YUWGQCBXWZCEPG-MRXNPFEDSA-N 2 2 343.431 1.341 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)n2c1CCCC2 ZINC000598631498 449508108 /nfs/dbraw/zinc/50/81/08/449508108.db2.gz UVGHWDUMUUNHKR-HNNXBMFYSA-N 2 2 335.448 1.157 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000607145386 449578072 /nfs/dbraw/zinc/57/80/72/449578072.db2.gz JMDOEJJAFBRPHP-UHFFFAOYSA-N 2 2 343.435 1.017 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614451335 449618821 /nfs/dbraw/zinc/61/88/21/449618821.db2.gz PPSWZWLJTXOHAV-BZUAXINKSA-N 2 2 332.448 1.237 20 0 EDADLP C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000601116107 449698067 /nfs/dbraw/zinc/69/80/67/449698067.db2.gz OJZQUBWEHGZDAL-CMJOXMDJSA-N 2 2 340.489 1.254 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC000614610354 449709456 /nfs/dbraw/zinc/70/94/56/449709456.db2.gz KBWBLUKLWOIIDJ-ZACQAIPSSA-N 2 2 342.443 1.951 20 0 EDADLP CCOC(=O)[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCOC1 ZINC000602742756 449777227 /nfs/dbraw/zinc/77/72/27/449777227.db2.gz CKYMUNMWRRWLSH-IBGZPJMESA-N 2 2 347.459 2.000 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(C(=O)OC)co2)C1 ZINC000602785895 449807718 /nfs/dbraw/zinc/80/77/18/449807718.db2.gz WSRRMWQGSTWWJU-KBPBESRZSA-N 2 2 339.436 1.955 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(C(=O)OC)co2)C1 ZINC000602785895 449807723 /nfs/dbraw/zinc/80/77/23/449807723.db2.gz WSRRMWQGSTWWJU-KBPBESRZSA-N 2 2 339.436 1.955 20 0 EDADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000594943546 449816126 /nfs/dbraw/zinc/81/61/26/449816126.db2.gz LAAJITGUFUZLMR-NKGKWGDASA-N 2 2 332.444 1.193 20 0 EDADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000594943546 449816130 /nfs/dbraw/zinc/81/61/30/449816130.db2.gz LAAJITGUFUZLMR-NKGKWGDASA-N 2 2 332.444 1.193 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1scc2c1OCCO2 ZINC000617763362 449823245 /nfs/dbraw/zinc/82/32/45/449823245.db2.gz OPIKLQBWVITWSN-UHFFFAOYSA-N 2 2 327.450 1.133 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1scc2c1OCCO2 ZINC000617763362 449823251 /nfs/dbraw/zinc/82/32/51/449823251.db2.gz OPIKLQBWVITWSN-UHFFFAOYSA-N 2 2 327.450 1.133 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]nc1-c1cccnc1 ZINC000617766642 449829636 /nfs/dbraw/zinc/82/96/36/449829636.db2.gz SRIAEEPDSNSWLN-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]nc1-c1cccnc1 ZINC000617766642 449829638 /nfs/dbraw/zinc/82/96/38/449829638.db2.gz SRIAEEPDSNSWLN-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP CCOC(=O)C1(C)CC([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000601277752 449794366 /nfs/dbraw/zinc/79/43/66/449794366.db2.gz ZFLYKKXSXXJUJQ-FVRSWCFKSA-N 2 2 348.447 1.233 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000608501054 449861839 /nfs/dbraw/zinc/86/18/39/449861839.db2.gz NDHUSAUYLZKLMJ-LJQANCHMSA-N 2 2 345.487 1.969 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000608501054 449861847 /nfs/dbraw/zinc/86/18/47/449861847.db2.gz NDHUSAUYLZKLMJ-LJQANCHMSA-N 2 2 345.487 1.969 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CCC1 ZINC000608500847 449861910 /nfs/dbraw/zinc/86/19/10/449861910.db2.gz UTOYDWSOBLQCHZ-UHFFFAOYSA-N 2 2 331.460 1.694 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CCC1 ZINC000608500847 449861912 /nfs/dbraw/zinc/86/19/12/449861912.db2.gz UTOYDWSOBLQCHZ-UHFFFAOYSA-N 2 2 331.460 1.694 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[NH+]2CCOCC2)c1 ZINC000599310399 449881934 /nfs/dbraw/zinc/88/19/34/449881934.db2.gz VNZBRVDTONKDKN-RBUKOAKNSA-N 2 2 345.487 1.969 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[NH+]2CCOCC2)c1 ZINC000599310399 449881937 /nfs/dbraw/zinc/88/19/37/449881937.db2.gz VNZBRVDTONKDKN-RBUKOAKNSA-N 2 2 345.487 1.969 20 0 EDADLP C[C@@H](CSCCF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000595052341 449850173 /nfs/dbraw/zinc/85/01/73/449850173.db2.gz XMVYANYAMQCUCO-AVOUXACISA-N 2 2 331.501 1.751 20 0 EDADLP C[C@@H](CSCCF)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000595052341 449850183 /nfs/dbraw/zinc/85/01/83/449850183.db2.gz XMVYANYAMQCUCO-AVOUXACISA-N 2 2 331.501 1.751 20 0 EDADLP C[C@@]1(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[NH2+]C1 ZINC000612892593 449930986 /nfs/dbraw/zinc/93/09/86/449930986.db2.gz LVFBDJAETYSLSR-GOSISDBHSA-N 2 2 327.432 1.677 20 0 EDADLP C[C@@]1(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]C1 ZINC000612904014 449935448 /nfs/dbraw/zinc/93/54/48/449935448.db2.gz FHJTYMDQPKYOIM-QGZVFWFLSA-N 2 2 336.867 1.749 20 0 EDADLP C[C@@]1(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]C1 ZINC000612904014 449935450 /nfs/dbraw/zinc/93/54/50/449935450.db2.gz FHJTYMDQPKYOIM-QGZVFWFLSA-N 2 2 336.867 1.749 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CC[N@H+](CC)C1 ZINC000617928599 449924422 /nfs/dbraw/zinc/92/44/22/449924422.db2.gz SCVLGESRBNPOAZ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617928599 449924430 /nfs/dbraw/zinc/92/44/30/449924430.db2.gz SCVLGESRBNPOAZ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+](CC)C1 ZINC000617928599 449924435 /nfs/dbraw/zinc/92/44/35/449924435.db2.gz SCVLGESRBNPOAZ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+](CC)C1 ZINC000617928599 449924441 /nfs/dbraw/zinc/92/44/41/449924441.db2.gz SCVLGESRBNPOAZ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612971545 449964888 /nfs/dbraw/zinc/96/48/88/449964888.db2.gz VDZGYWOHOIQWCI-NSHDSACASA-N 2 2 345.369 1.729 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000609260071 449990172 /nfs/dbraw/zinc/99/01/72/449990172.db2.gz HQVCZLNNJCJULN-CVEARBPZSA-N 2 2 348.447 1.322 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000609260071 449990176 /nfs/dbraw/zinc/99/01/76/449990176.db2.gz HQVCZLNNJCJULN-CVEARBPZSA-N 2 2 348.447 1.322 20 0 EDADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601478760 450001634 /nfs/dbraw/zinc/00/16/34/450001634.db2.gz GSRTYZYHHCOLFB-KRWDZBQOSA-N 3 2 333.480 1.290 20 0 EDADLP COC(=O)c1ccccc1OCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599472415 450001612 /nfs/dbraw/zinc/00/16/12/450001612.db2.gz GCDFPADEUVEOIU-UHFFFAOYSA-N 2 2 348.443 1.649 20 0 EDADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601478760 450001639 /nfs/dbraw/zinc/00/16/39/450001639.db2.gz GSRTYZYHHCOLFB-KRWDZBQOSA-N 3 2 333.480 1.290 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346422 450060220 /nfs/dbraw/zinc/06/02/20/450060220.db2.gz IOWYILPMRVYDJB-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346422 450060223 /nfs/dbraw/zinc/06/02/23/450060223.db2.gz IOWYILPMRVYDJB-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346422 450060228 /nfs/dbraw/zinc/06/02/28/450060228.db2.gz IOWYILPMRVYDJB-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346422 450060232 /nfs/dbraw/zinc/06/02/32/450060232.db2.gz IOWYILPMRVYDJB-JKSUJKDBSA-N 2 2 339.480 1.204 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000595347737 450061677 /nfs/dbraw/zinc/06/16/77/450061677.db2.gz WKCHBZHMEVENSU-AWEZNQCLSA-N 2 2 348.447 1.532 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583961 450084110 /nfs/dbraw/zinc/08/41/10/450084110.db2.gz TYFBFSQLNRGNRH-OAGGEKHMSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583961 450084112 /nfs/dbraw/zinc/08/41/12/450084112.db2.gz TYFBFSQLNRGNRH-OAGGEKHMSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583961 450084115 /nfs/dbraw/zinc/08/41/15/450084115.db2.gz TYFBFSQLNRGNRH-OAGGEKHMSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583961 450084118 /nfs/dbraw/zinc/08/41/18/450084118.db2.gz TYFBFSQLNRGNRH-OAGGEKHMSA-N 2 2 328.497 1.987 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610257139 450171460 /nfs/dbraw/zinc/17/14/60/450171460.db2.gz UBTAZQZKHKSQBD-INIZCTEOSA-N 2 2 343.537 1.385 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c[nH+]1 ZINC000601790064 450241324 /nfs/dbraw/zinc/24/13/24/450241324.db2.gz MTPNVGNYKCMPHJ-HOTGVXAUSA-N 2 2 331.464 1.916 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c[nH+]1 ZINC000601790064 450241327 /nfs/dbraw/zinc/24/13/27/450241327.db2.gz MTPNVGNYKCMPHJ-HOTGVXAUSA-N 2 2 331.464 1.916 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)C2 ZINC000619885186 450353838 /nfs/dbraw/zinc/35/38/38/450353838.db2.gz OWIMJWYWZRVKDB-QGZVFWFLSA-N 2 2 346.475 1.325 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000623393740 450512618 /nfs/dbraw/zinc/51/26/18/450512618.db2.gz NRSAECWESBFQHG-MAUKXSAKSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000623393740 450512621 /nfs/dbraw/zinc/51/26/21/450512621.db2.gz NRSAECWESBFQHG-MAUKXSAKSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000623393740 450512625 /nfs/dbraw/zinc/51/26/25/450512625.db2.gz NRSAECWESBFQHG-MAUKXSAKSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000623393740 450512628 /nfs/dbraw/zinc/51/26/28/450512628.db2.gz NRSAECWESBFQHG-MAUKXSAKSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)c1[nH+]ccn1C ZINC000620603994 450520110 /nfs/dbraw/zinc/52/01/10/450520110.db2.gz PBYPOBWULJKURD-SNVBAGLBSA-N 2 2 327.392 1.259 20 0 EDADLP C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)c1[nH+]ccn1C ZINC000620603177 450520214 /nfs/dbraw/zinc/52/02/14/450520214.db2.gz FVSDRDOFCZPJPX-RHSMWYFYSA-N 2 2 342.443 1.795 20 0 EDADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623455080 450524078 /nfs/dbraw/zinc/52/40/78/450524078.db2.gz APVVSZAWAIENKA-GOSISDBHSA-N 2 2 348.491 1.657 20 0 EDADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623455080 450524079 /nfs/dbraw/zinc/52/40/79/450524079.db2.gz APVVSZAWAIENKA-GOSISDBHSA-N 2 2 348.491 1.657 20 0 EDADLP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623455080 450524080 /nfs/dbraw/zinc/52/40/80/450524080.db2.gz APVVSZAWAIENKA-GOSISDBHSA-N 2 2 348.491 1.657 20 0 EDADLP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623455080 450524082 /nfs/dbraw/zinc/52/40/82/450524082.db2.gz APVVSZAWAIENKA-GOSISDBHSA-N 2 2 348.491 1.657 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000620772596 450541118 /nfs/dbraw/zinc/54/11/18/450541118.db2.gz NVYKTEQOOAPBQF-DOTOQJQBSA-N 2 2 333.501 1.814 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000620772596 450541120 /nfs/dbraw/zinc/54/11/20/450541120.db2.gz NVYKTEQOOAPBQF-DOTOQJQBSA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000625993421 450550369 /nfs/dbraw/zinc/55/03/69/450550369.db2.gz WROSNHLZPUODSM-IPMKNSEASA-N 2 2 327.472 1.715 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000626089203 450573159 /nfs/dbraw/zinc/57/31/59/450573159.db2.gz GCSAMDZJFSXQRS-INIZCTEOSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCO1 ZINC000620974620 450567884 /nfs/dbraw/zinc/56/78/84/450567884.db2.gz LOGBEAASQNOEMB-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP C/C=C/C[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000626160527 450593616 /nfs/dbraw/zinc/59/36/16/450593616.db2.gz JZBGSWXSANGHOK-BDUNBXCCSA-N 2 2 337.508 1.892 20 0 EDADLP C/C=C/C[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000626160527 450593620 /nfs/dbraw/zinc/59/36/20/450593620.db2.gz JZBGSWXSANGHOK-BDUNBXCCSA-N 2 2 337.508 1.892 20 0 EDADLP Cc1ccc(CNC(=O)NC[C@@H]2COCC[N@H+]2C)c(N2CCCC2)[nH+]1 ZINC000623872781 450621142 /nfs/dbraw/zinc/62/11/42/450621142.db2.gz OVKPNWHWFOLVIU-MRXNPFEDSA-N 2 2 347.463 1.120 20 0 EDADLP Cc1ccc(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)c(N2CCCC2)[nH+]1 ZINC000623872781 450621146 /nfs/dbraw/zinc/62/11/46/450621146.db2.gz OVKPNWHWFOLVIU-MRXNPFEDSA-N 2 2 347.463 1.120 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCc1cn3c([nH+]1)CCCC3)CC2 ZINC000623908136 450630879 /nfs/dbraw/zinc/63/08/79/450630879.db2.gz PYEXVOOPKIXMMJ-AWEZNQCLSA-N 2 2 327.432 1.646 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000633035493 450631010 /nfs/dbraw/zinc/63/10/10/450631010.db2.gz HTXAJMLYOAZWPW-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1cn2ccc(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)cc2[nH+]1 ZINC000635139710 450686613 /nfs/dbraw/zinc/68/66/13/450686613.db2.gz VZXVZGDZGVUSQH-INIZCTEOSA-N 2 2 330.432 1.729 20 0 EDADLP Cc1cn2ccc(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc2[nH+]1 ZINC000635139710 450686618 /nfs/dbraw/zinc/68/66/18/450686618.db2.gz VZXVZGDZGVUSQH-INIZCTEOSA-N 2 2 330.432 1.729 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000635141249 450687543 /nfs/dbraw/zinc/68/75/43/450687543.db2.gz PQDQDIDMLMQAMJ-WMZOPIPTSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000635141249 450687545 /nfs/dbraw/zinc/68/75/45/450687545.db2.gz PQDQDIDMLMQAMJ-WMZOPIPTSA-N 2 2 331.460 1.518 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000631708500 450725188 /nfs/dbraw/zinc/72/51/88/450725188.db2.gz FAHCTUSYUIAHCC-INIZCTEOSA-N 2 2 325.478 1.180 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000631708500 450725192 /nfs/dbraw/zinc/72/51/92/450725192.db2.gz FAHCTUSYUIAHCC-INIZCTEOSA-N 2 2 325.478 1.180 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cn2)CC1 ZINC000635183106 450726930 /nfs/dbraw/zinc/72/69/30/450726930.db2.gz LPNRDTQZGNILEC-ZIAGYGMSSA-N 2 2 326.404 1.299 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cn2)CC1 ZINC000635183106 450726935 /nfs/dbraw/zinc/72/69/35/450726935.db2.gz LPNRDTQZGNILEC-ZIAGYGMSSA-N 2 2 326.404 1.299 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000629563814 450737436 /nfs/dbraw/zinc/73/74/36/450737436.db2.gz GCXMIOSUEZOEME-LPWJVIDDSA-N 2 2 337.386 1.081 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000629563814 450737442 /nfs/dbraw/zinc/73/74/42/450737442.db2.gz GCXMIOSUEZOEME-LPWJVIDDSA-N 2 2 337.386 1.081 20 0 EDADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C[NH2+]1 ZINC000629660228 450773639 /nfs/dbraw/zinc/77/36/39/450773639.db2.gz QGRKEFHJPKEGLA-WMLDXEAASA-N 2 2 331.460 1.822 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc(Cl)c1OCC(N)=O ZINC000629659488 450773645 /nfs/dbraw/zinc/77/36/45/450773645.db2.gz AUWJCBXKXPCNJP-ZYHUDNBSSA-N 2 2 341.839 1.443 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000631843341 450812746 /nfs/dbraw/zinc/81/27/46/450812746.db2.gz MMNIBPSNEJHSSH-HZPDHXFCSA-N 2 2 346.475 1.193 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)c1 ZINC000631843341 450812750 /nfs/dbraw/zinc/81/27/50/450812750.db2.gz MMNIBPSNEJHSSH-HZPDHXFCSA-N 2 2 346.475 1.193 20 0 EDADLP CC[NH+](CC)[C@@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1ccco1 ZINC000631813237 450792282 /nfs/dbraw/zinc/79/22/82/450792282.db2.gz SEINOUALBIAAJQ-AWEZNQCLSA-N 2 2 343.493 1.676 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ncccc3C(F)(F)F)C2)nn1 ZINC000631828621 450801054 /nfs/dbraw/zinc/80/10/54/450801054.db2.gz TVQCHLLRPZDFHA-GFCCVEGCSA-N 2 2 340.353 1.988 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ncccc3C(F)(F)F)C2)nn1 ZINC000631828621 450801058 /nfs/dbraw/zinc/80/10/58/450801058.db2.gz TVQCHLLRPZDFHA-GFCCVEGCSA-N 2 2 340.353 1.988 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887620 450848716 /nfs/dbraw/zinc/84/87/16/450848716.db2.gz PKQAQYVYJHSVRX-DOTOQJQBSA-N 2 2 344.459 1.401 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887620 450848718 /nfs/dbraw/zinc/84/87/18/450848718.db2.gz PKQAQYVYJHSVRX-DOTOQJQBSA-N 2 2 344.459 1.401 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887737 450849255 /nfs/dbraw/zinc/84/92/55/450849255.db2.gz QDYPTKXYMMTHBS-QZTJIDSGSA-N 2 2 331.460 1.523 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887737 450849257 /nfs/dbraw/zinc/84/92/57/450849257.db2.gz QDYPTKXYMMTHBS-QZTJIDSGSA-N 2 2 331.460 1.523 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc2c(c1)OCCO2 ZINC000631887368 450849267 /nfs/dbraw/zinc/84/92/67/450849267.db2.gz QWWKYJWNTXLLKZ-ZFWWWQNUSA-N 2 2 331.416 1.470 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc2c(c1)OCCO2 ZINC000631887368 450849271 /nfs/dbraw/zinc/84/92/71/450849271.db2.gz QWWKYJWNTXLLKZ-ZFWWWQNUSA-N 2 2 331.416 1.470 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888186 450850660 /nfs/dbraw/zinc/85/06/60/450850660.db2.gz WYBJKCQECWJYTI-DOTOQJQBSA-N 2 2 337.489 1.511 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888186 450850666 /nfs/dbraw/zinc/85/06/66/450850666.db2.gz WYBJKCQECWJYTI-DOTOQJQBSA-N 2 2 337.489 1.511 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000635400953 450908088 /nfs/dbraw/zinc/90/80/88/450908088.db2.gz GUJNGPMMIPTHHW-UHFFFAOYSA-N 2 2 349.822 1.722 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cn(C4CC4)nn3)CC2)CC1 ZINC000627794648 450941847 /nfs/dbraw/zinc/94/18/47/450941847.db2.gz KNVNZOJHJOSVNY-UHFFFAOYSA-N 2 2 346.479 1.245 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cn(C4CC4)nn3)CC2)CC1 ZINC000627794648 450941854 /nfs/dbraw/zinc/94/18/54/450941854.db2.gz KNVNZOJHJOSVNY-UHFFFAOYSA-N 2 2 346.479 1.245 20 0 EDADLP CCOc1ccc(C[C@@H](C)CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000633797134 451021356 /nfs/dbraw/zinc/02/13/56/451021356.db2.gz SQXFGJMSFPAFJX-WBVHZDCISA-N 2 2 348.491 1.548 20 0 EDADLP CCOc1ccc(C[C@@H](C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000633797134 451021361 /nfs/dbraw/zinc/02/13/61/451021361.db2.gz SQXFGJMSFPAFJX-WBVHZDCISA-N 2 2 348.491 1.548 20 0 EDADLP Cc1cc(NCCNC(=O)NC[C@@]2(C)CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627083849 451117091 /nfs/dbraw/zinc/11/70/91/451117091.db2.gz MVHKVZYHSIZREA-SFHVURJKSA-N 2 2 348.495 2.009 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124147 451146058 /nfs/dbraw/zinc/14/60/58/451146058.db2.gz UGNZAYCKKDWVBN-UHFFFAOYSA-N 2 2 332.448 1.085 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)CC(C)(C)C ZINC000635693887 451176758 /nfs/dbraw/zinc/17/67/58/451176758.db2.gz DJTZLVLXTMKOQK-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)CC(C)(C)C ZINC000635693887 451176760 /nfs/dbraw/zinc/17/67/60/451176760.db2.gz DJTZLVLXTMKOQK-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cn2)CC1 ZINC000634093031 451189062 /nfs/dbraw/zinc/18/90/62/451189062.db2.gz GXDSFHACXRJHIF-CYBMUJFWSA-N 2 2 328.420 1.547 20 0 EDADLP C[C@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1cnn(C)c1 ZINC000634193260 451228554 /nfs/dbraw/zinc/22/85/54/451228554.db2.gz AOKUBSNBVXDHCH-CQSZACIVSA-N 2 2 342.447 1.699 20 0 EDADLP Cc1ccc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC000634195587 451231766 /nfs/dbraw/zinc/23/17/66/451231766.db2.gz XMZNTJPNCMHGQS-UHFFFAOYSA-N 2 2 325.416 1.718 20 0 EDADLP c1ccc2nc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cnc2c1 ZINC000628214707 451184116 /nfs/dbraw/zinc/18/41/16/451184116.db2.gz KLAAWPNIEBCMBP-INIZCTEOSA-N 2 2 341.459 1.126 20 0 EDADLP CC[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[NH+](CC)CC ZINC000634195562 451232678 /nfs/dbraw/zinc/23/26/78/451232678.db2.gz DAHSSDFRGXEFBA-INIZCTEOSA-N 3 2 333.480 1.892 20 0 EDADLP CC(=O)N1CCC(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC000634197872 451234228 /nfs/dbraw/zinc/23/42/28/451234228.db2.gz MDXBACVUFIHUTM-UHFFFAOYSA-N 2 2 345.447 1.030 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000638104751 451272340 /nfs/dbraw/zinc/27/23/40/451272340.db2.gz MCOSBFMARFLUKW-MRXNPFEDSA-N 2 2 337.489 1.784 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000638104751 451272344 /nfs/dbraw/zinc/27/23/44/451272344.db2.gz MCOSBFMARFLUKW-MRXNPFEDSA-N 2 2 337.489 1.784 20 0 EDADLP C[N@@H+](CC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1)C1CCC1 ZINC000640346873 451274932 /nfs/dbraw/zinc/27/49/32/451274932.db2.gz AVZVMGSBKBLLDY-INIZCTEOSA-N 2 2 341.521 1.137 20 0 EDADLP Cn1c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc2ccccc21 ZINC000638146900 451321139 /nfs/dbraw/zinc/32/11/39/451321139.db2.gz QGBQAQPQARXGOA-LJQANCHMSA-N 2 2 340.471 1.917 20 0 EDADLP Cn1c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc2ccccc21 ZINC000638146900 451321145 /nfs/dbraw/zinc/32/11/45/451321145.db2.gz QGBQAQPQARXGOA-LJQANCHMSA-N 2 2 340.471 1.917 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[N@@H+]1CCc2sccc2C1 ZINC000636588711 451330009 /nfs/dbraw/zinc/33/00/09/451330009.db2.gz LTGDIAUYHRXQKU-OCCSQVGLSA-N 2 2 345.472 1.615 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[N@H+]1CCc2sccc2C1 ZINC000636588711 451330014 /nfs/dbraw/zinc/33/00/14/451330014.db2.gz LTGDIAUYHRXQKU-OCCSQVGLSA-N 2 2 345.472 1.615 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000635915440 451361318 /nfs/dbraw/zinc/36/13/18/451361318.db2.gz WQKQMYSTHWSCBZ-OAHLLOKOSA-N 2 2 336.505 1.949 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N(CCn2cc[nH+]c2)C2CCSCC2)C1 ZINC000635915440 451361322 /nfs/dbraw/zinc/36/13/22/451361322.db2.gz WQKQMYSTHWSCBZ-OAHLLOKOSA-N 2 2 336.505 1.949 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000628666083 451361642 /nfs/dbraw/zinc/36/16/42/451361642.db2.gz BSGHWTQQUFWUKV-SJLPKXTDSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC000628666083 451361647 /nfs/dbraw/zinc/36/16/47/451361647.db2.gz BSGHWTQQUFWUKV-SJLPKXTDSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000628666083 451361653 /nfs/dbraw/zinc/36/16/53/451361653.db2.gz BSGHWTQQUFWUKV-SJLPKXTDSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000628666083 451361657 /nfs/dbraw/zinc/36/16/57/451361657.db2.gz BSGHWTQQUFWUKV-SJLPKXTDSA-N 2 2 331.460 1.870 20 0 EDADLP CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000640519396 451370801 /nfs/dbraw/zinc/37/08/01/451370801.db2.gz LZVQXQQYECAQHX-LSDHHAIUSA-N 2 2 328.416 1.563 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC12CCOCC2 ZINC000638264037 451386015 /nfs/dbraw/zinc/38/60/15/451386015.db2.gz YTUWZBUQMZEAPZ-INIZCTEOSA-N 2 2 340.427 1.904 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)c1ccco1 ZINC000636662028 451393747 /nfs/dbraw/zinc/39/37/47/451393747.db2.gz KQSNLXSUHJIQEU-LSDHHAIUSA-N 2 2 338.452 1.292 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)c1ccco1 ZINC000636662028 451393750 /nfs/dbraw/zinc/39/37/50/451393750.db2.gz KQSNLXSUHJIQEU-LSDHHAIUSA-N 2 2 338.452 1.292 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)C1 ZINC000638277140 451394696 /nfs/dbraw/zinc/39/46/96/451394696.db2.gz JXILSWFUXVUERZ-DKSSEZFCSA-N 2 2 349.450 1.798 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@H]2C1 ZINC000635962033 451400113 /nfs/dbraw/zinc/40/01/13/451400113.db2.gz DWBLBGVZUDDANK-YESZJQIVSA-N 2 2 334.464 1.792 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@H]2C1 ZINC000635962033 451400117 /nfs/dbraw/zinc/40/01/17/451400117.db2.gz DWBLBGVZUDDANK-YESZJQIVSA-N 2 2 334.464 1.792 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635971458 451407481 /nfs/dbraw/zinc/40/74/81/451407481.db2.gz JZGVFKGSRLPZQQ-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635971458 451407486 /nfs/dbraw/zinc/40/74/86/451407486.db2.gz JZGVFKGSRLPZQQ-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635971458 451407492 /nfs/dbraw/zinc/40/74/92/451407492.db2.gz JZGVFKGSRLPZQQ-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635971458 451407493 /nfs/dbraw/zinc/40/74/93/451407493.db2.gz JZGVFKGSRLPZQQ-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000638310821 451424368 /nfs/dbraw/zinc/42/43/68/451424368.db2.gz VKFCREBZATZGJB-FHWLQOOXSA-N 2 2 344.503 1.388 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000638310821 451424374 /nfs/dbraw/zinc/42/43/74/451424374.db2.gz VKFCREBZATZGJB-FHWLQOOXSA-N 2 2 344.503 1.388 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000638313789 451425367 /nfs/dbraw/zinc/42/53/67/451425367.db2.gz DASZSXKAKHHFHE-QAPCUYQASA-N 2 2 340.427 1.127 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619991 451469044 /nfs/dbraw/zinc/46/90/44/451469044.db2.gz ANFMUKDQLLPJBD-OAHLLOKOSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619991 451469049 /nfs/dbraw/zinc/46/90/49/451469049.db2.gz ANFMUKDQLLPJBD-OAHLLOKOSA-N 2 2 348.495 1.291 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC[N@@H+]1CCOC ZINC000638377971 451473245 /nfs/dbraw/zinc/47/32/45/451473245.db2.gz LBRKEHASAGDKTH-WMZOPIPTSA-N 2 2 349.475 1.654 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC[N@H+]1CCOC ZINC000638377971 451473248 /nfs/dbraw/zinc/47/32/48/451473248.db2.gz LBRKEHASAGDKTH-WMZOPIPTSA-N 2 2 349.475 1.654 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000628924429 451490308 /nfs/dbraw/zinc/49/03/08/451490308.db2.gz VVAOCGHHQSUPBJ-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000628924429 451490312 /nfs/dbraw/zinc/49/03/12/451490312.db2.gz VVAOCGHHQSUPBJ-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000638336718 451441679 /nfs/dbraw/zinc/44/16/79/451441679.db2.gz WVZVRWYKGAQYAE-LEOMRAHMSA-N 2 2 346.475 1.028 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)NC2CCC([NH+]3CCNCC3)CC2)c1 ZINC000638336718 451441686 /nfs/dbraw/zinc/44/16/86/451441686.db2.gz WVZVRWYKGAQYAE-LEOMRAHMSA-N 2 2 346.475 1.028 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnn(C(F)F)c3)CC2)CC1 ZINC000630862939 451445651 /nfs/dbraw/zinc/44/56/51/451445651.db2.gz OIHLUWONRYDHKR-UHFFFAOYSA-N 2 2 341.406 1.567 20 0 EDADLP OCc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000634720319 451500888 /nfs/dbraw/zinc/50/08/88/451500888.db2.gz IIYRLVZMIVSWOU-FQEVSTJZSA-N 2 2 326.440 1.906 20 0 EDADLP OCc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000634720319 451500893 /nfs/dbraw/zinc/50/08/93/451500893.db2.gz IIYRLVZMIVSWOU-FQEVSTJZSA-N 2 2 326.440 1.906 20 0 EDADLP COc1ccc([C@H](CNc2nc(C)[nH+]c(N)n2)[NH+]2CCCCC2)cc1 ZINC000631036196 451544988 /nfs/dbraw/zinc/54/49/88/451544988.db2.gz IDPWKZQJNHDSCH-INIZCTEOSA-N 2 2 342.447 1.832 20 0 EDADLP c1cn(-c2ccccc2C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c[nH+]1 ZINC000631050926 451554674 /nfs/dbraw/zinc/55/46/74/451554674.db2.gz LZJKIMDFCCMUIQ-HNNXBMFYSA-N 2 2 338.415 1.790 20 0 EDADLP CC(C)n1ncnc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000631061883 451562528 /nfs/dbraw/zinc/56/25/28/451562528.db2.gz LDTYJYCUHBHYNU-GOSISDBHSA-N 2 2 342.491 1.937 20 0 EDADLP c1c(C[NH2+]CCCCNc2cccc[nH+]2)nnn1C[C@@H]1CCOC1 ZINC000631062325 451563150 /nfs/dbraw/zinc/56/31/50/451563150.db2.gz SXBAUDDXSCUFMZ-HNNXBMFYSA-N 2 2 330.436 1.692 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)[nH+]cn1 ZINC000634812562 451566580 /nfs/dbraw/zinc/56/65/80/451566580.db2.gz LNFOBQBORHCQSO-HRCADAONSA-N 2 2 331.464 1.406 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)nc[nH+]1 ZINC000634812562 451566583 /nfs/dbraw/zinc/56/65/83/451566583.db2.gz LNFOBQBORHCQSO-HRCADAONSA-N 2 2 331.464 1.406 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[N@@H+]1C ZINC000631079354 451572095 /nfs/dbraw/zinc/57/20/95/451572095.db2.gz GGSSNTIRSPCUKF-HKUYNNGSSA-N 3 2 347.503 1.970 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[N@H+]1C ZINC000631079354 451572099 /nfs/dbraw/zinc/57/20/99/451572099.db2.gz GGSSNTIRSPCUKF-HKUYNNGSSA-N 3 2 347.503 1.970 20 0 EDADLP Cc1cc(NCCNC(=O)C[C@H](C)C2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000638582643 451588911 /nfs/dbraw/zinc/58/89/11/451588911.db2.gz ALTCXICNSMMWBL-AWEZNQCLSA-N 2 2 347.507 2.462 20 0 EDADLP OCCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631114546 451591596 /nfs/dbraw/zinc/59/15/96/451591596.db2.gz AGBOVHJSKYQYPR-UHFFFAOYSA-N 2 2 334.460 1.650 20 0 EDADLP Cc1nc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)nc(N)[nH+]1 ZINC000631117010 451593088 /nfs/dbraw/zinc/59/30/88/451593088.db2.gz DPRRQDFURFCZAG-CYBMUJFWSA-N 2 2 342.447 1.496 20 0 EDADLP CN(C)CC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631156189 451614862 /nfs/dbraw/zinc/61/48/62/451614862.db2.gz WKSZOKZENGJXNC-UHFFFAOYSA-N 2 2 335.492 1.827 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000632910524 451645129 /nfs/dbraw/zinc/64/51/29/451645129.db2.gz CRBYMBDYIRKDJA-KBPBESRZSA-N 2 2 329.404 1.916 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000631246430 451660061 /nfs/dbraw/zinc/66/00/61/451660061.db2.gz CRFHMCXWILRZCN-FGTMMUONSA-N 3 2 336.524 1.344 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000631246430 451660065 /nfs/dbraw/zinc/66/00/65/451660065.db2.gz CRFHMCXWILRZCN-FGTMMUONSA-N 3 2 336.524 1.344 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000631246430 451660068 /nfs/dbraw/zinc/66/00/68/451660068.db2.gz CRFHMCXWILRZCN-FGTMMUONSA-N 3 2 336.524 1.344 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000631246430 451660073 /nfs/dbraw/zinc/66/00/73/451660073.db2.gz CRFHMCXWILRZCN-FGTMMUONSA-N 3 2 336.524 1.344 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638782963 451690028 /nfs/dbraw/zinc/69/00/28/451690028.db2.gz BUGSYXGUBZSHFS-QGZVFWFLSA-N 2 2 342.443 1.494 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3[nH]ncc3C(F)(F)F)C2)CC1 ZINC000631257953 451666749 /nfs/dbraw/zinc/66/67/49/451666749.db2.gz JVLIJJRASPKMAN-JTQLQIEISA-N 2 2 345.369 1.327 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3[nH]ncc3C(F)(F)F)C2)CC1 ZINC000631257953 451666753 /nfs/dbraw/zinc/66/67/53/451666753.db2.gz JVLIJJRASPKMAN-JTQLQIEISA-N 2 2 345.369 1.327 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnc(N)nc1N ZINC000638737827 451670821 /nfs/dbraw/zinc/67/08/21/451670821.db2.gz KKUXHSVTRWZHRX-ZIAGYGMSSA-N 2 2 340.475 1.548 20 0 EDADLP CNc1snc(C)c1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983792 451745918 /nfs/dbraw/zinc/74/59/18/451745918.db2.gz FYJJZZVOCYETON-UHFFFAOYSA-N 2 2 332.433 1.550 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)C1CC[NH2+]CC1 ZINC000639005653 451751705 /nfs/dbraw/zinc/75/17/05/451751705.db2.gz YWTYCCPSOSTUCS-MRXNPFEDSA-N 2 2 345.491 1.189 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000639043618 451756580 /nfs/dbraw/zinc/75/65/80/451756580.db2.gz VWBNNJHRJDZLBQ-DJIMGWMZSA-N 2 2 348.466 1.722 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)Cc1c[nH+]c(N)nc1N ZINC000639171151 451784219 /nfs/dbraw/zinc/78/42/19/451784219.db2.gz SCTPKIMVKOGXTD-UHFFFAOYSA-N 2 2 336.390 1.144 20 0 EDADLP CC(C)(O)C1C[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639252918 451798925 /nfs/dbraw/zinc/79/89/25/451798925.db2.gz WEYPKMSOBKMPTO-UHFFFAOYSA-N 2 2 334.460 1.600 20 0 EDADLP OCc1cc[nH+]c(NCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000641288344 451811897 /nfs/dbraw/zinc/81/18/97/451811897.db2.gz WAVOERZIWNEQQD-UHFFFAOYSA-N 2 2 340.471 2.194 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[NH+]3CCC2CC3)nc(C(C)C)[nH+]1 ZINC000637412129 451840832 /nfs/dbraw/zinc/84/08/32/451840832.db2.gz ZJQYMOUFLHLSGU-UHFFFAOYSA-N 2 2 346.479 1.810 20 0 EDADLP C[C@]12COC[C@H]1C[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000639322681 451826701 /nfs/dbraw/zinc/82/67/01/451826701.db2.gz VVTQYNWOEIASJB-QUCCMNQESA-N 2 2 346.471 1.866 20 0 EDADLP C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000639322681 451826709 /nfs/dbraw/zinc/82/67/09/451826709.db2.gz VVTQYNWOEIASJB-QUCCMNQESA-N 2 2 346.471 1.866 20 0 EDADLP COCCc1ncc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000639335770 451832789 /nfs/dbraw/zinc/83/27/89/451832789.db2.gz XERSODNLPZQRSM-AWEZNQCLSA-N 2 2 327.494 1.875 20 0 EDADLP COCCc1ncc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000639335770 451832796 /nfs/dbraw/zinc/83/27/96/451832796.db2.gz XERSODNLPZQRSM-AWEZNQCLSA-N 2 2 327.494 1.875 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000642304485 451856923 /nfs/dbraw/zinc/85/69/23/451856923.db2.gz BCYYXFWEFQNFCH-INIZCTEOSA-N 2 2 346.475 1.278 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000642304485 451856928 /nfs/dbraw/zinc/85/69/28/451856928.db2.gz BCYYXFWEFQNFCH-INIZCTEOSA-N 2 2 346.475 1.278 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)no1 ZINC000644560723 451860919 /nfs/dbraw/zinc/86/09/19/451860919.db2.gz FSWCBCSATIUTJV-AWEZNQCLSA-N 2 2 330.432 2.422 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)no1 ZINC000644560723 451860925 /nfs/dbraw/zinc/86/09/25/451860925.db2.gz FSWCBCSATIUTJV-AWEZNQCLSA-N 2 2 330.432 2.422 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@H](C)O1 ZINC000644570035 451867281 /nfs/dbraw/zinc/86/72/81/451867281.db2.gz VWBCGTPNSYDVDH-JKIFEVAISA-N 2 2 349.450 1.909 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2c[nH]c3ccc(F)cc23)C[C@H](C)O1 ZINC000644570035 451867289 /nfs/dbraw/zinc/86/72/89/451867289.db2.gz VWBCGTPNSYDVDH-JKIFEVAISA-N 2 2 349.450 1.909 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CCOC3)c[nH+]2)CC1 ZINC000649289186 451965443 /nfs/dbraw/zinc/96/54/43/451965443.db2.gz AEPQSMQRZTWNPK-INIZCTEOSA-N 2 2 332.448 1.170 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]3C[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000649289206 451964283 /nfs/dbraw/zinc/96/42/83/451964283.db2.gz BEXFOAMNTFTBLQ-TXCZRRACSA-N 2 2 346.475 1.686 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[NH+]2Cc3ccccc3C2)C1(C)C ZINC000649306474 451984000 /nfs/dbraw/zinc/98/40/00/451984000.db2.gz UGCAZTVFTZUWMZ-QFBILLFUSA-N 2 2 331.460 1.651 20 0 EDADLP [NH3+][C@@H]1CCCCN(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1=O ZINC000649315044 451992698 /nfs/dbraw/zinc/99/26/98/451992698.db2.gz GHNNLBIIYXBKFE-CQSZACIVSA-N 2 2 327.388 1.355 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC000649325158 452004587 /nfs/dbraw/zinc/00/45/87/452004587.db2.gz KMPHIYIVTOLQPS-CVEARBPZSA-N 2 2 339.867 1.909 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC[N@H+]1CCOC ZINC000649325158 452004592 /nfs/dbraw/zinc/00/45/92/452004592.db2.gz KMPHIYIVTOLQPS-CVEARBPZSA-N 2 2 339.867 1.909 20 0 EDADLP Cc1cc(C)c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(C)[nH+]1 ZINC000639667115 452009657 /nfs/dbraw/zinc/00/96/57/452009657.db2.gz QEIKMAFEJBDYSM-QGZVFWFLSA-N 2 2 330.476 1.793 20 0 EDADLP C[C@@H]([NH2+]C1(CNC(=O)[C@]2([NH3+])CCN(C)C2)CCCC1)c1ccccc1 ZINC000649331707 452013007 /nfs/dbraw/zinc/01/30/07/452013007.db2.gz PFJVYVHJKMJRRW-UZLBHIALSA-N 2 2 344.503 1.799 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)c1c(F)cccc1F ZINC000649336497 452016082 /nfs/dbraw/zinc/01/60/82/452016082.db2.gz YKIDQEZJNLLDDA-MFKMUULPSA-N 2 2 347.356 1.929 20 0 EDADLP COC[C@@H](CC(C)(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000651694888 452018536 /nfs/dbraw/zinc/01/85/36/452018536.db2.gz UXWWGVJUDAOPBQ-HZPDHXFCSA-N 2 2 327.513 1.970 20 0 EDADLP COC[C@@H](CC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000651694888 452018545 /nfs/dbraw/zinc/01/85/45/452018545.db2.gz UXWWGVJUDAOPBQ-HZPDHXFCSA-N 2 2 327.513 1.970 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000649347769 452030443 /nfs/dbraw/zinc/03/04/43/452030443.db2.gz ZLZITRSYPHOQLL-KCXAZCMYSA-N 2 2 337.851 1.519 20 0 EDADLP COCCC1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC[NH2+]CC1 ZINC000649349418 452032015 /nfs/dbraw/zinc/03/20/15/452032015.db2.gz FWTCNFHYRGRCEJ-UHFFFAOYSA-N 2 2 346.475 1.132 20 0 EDADLP O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccccc1C[NH+]1CCOCC1 ZINC000647077522 452046028 /nfs/dbraw/zinc/04/60/28/452046028.db2.gz OINTYKYARGIRFX-KRWDZBQOSA-N 2 2 331.460 1.781 20 0 EDADLP CC1(C)C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000651757846 452058013 /nfs/dbraw/zinc/05/80/13/452058013.db2.gz FKXFOLBLBHFGCP-INIZCTEOSA-N 2 2 341.459 1.782 20 0 EDADLP CC1(C)C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C[N@H+]1Cc1ccccc1 ZINC000651757846 452058019 /nfs/dbraw/zinc/05/80/19/452058019.db2.gz FKXFOLBLBHFGCP-INIZCTEOSA-N 2 2 341.459 1.782 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000647095653 452058531 /nfs/dbraw/zinc/05/85/31/452058531.db2.gz NDTDPUDGHOACNG-UHFFFAOYSA-N 2 2 329.444 1.487 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000649411418 452074181 /nfs/dbraw/zinc/07/41/81/452074181.db2.gz VHLPXNVGAWYTLO-UHFFFAOYSA-N 2 2 332.492 1.026 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000653682033 452074869 /nfs/dbraw/zinc/07/48/69/452074869.db2.gz RRKVGYGAOKNMHK-IXDOHACOSA-N 2 2 325.884 1.987 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000653682033 452074875 /nfs/dbraw/zinc/07/48/75/452074875.db2.gz RRKVGYGAOKNMHK-IXDOHACOSA-N 2 2 325.884 1.987 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000653682033 452074892 /nfs/dbraw/zinc/07/48/92/452074892.db2.gz RRKVGYGAOKNMHK-IXDOHACOSA-N 2 2 325.884 1.987 20 0 EDADLP CC[NH+](C)C[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000653682033 452074901 /nfs/dbraw/zinc/07/49/01/452074901.db2.gz RRKVGYGAOKNMHK-IXDOHACOSA-N 2 2 325.884 1.987 20 0 EDADLP CC[NH+](C)C[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000653682033 452074908 /nfs/dbraw/zinc/07/49/08/452074908.db2.gz RRKVGYGAOKNMHK-IXDOHACOSA-N 2 2 325.884 1.987 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649414688 452075817 /nfs/dbraw/zinc/07/58/17/452075817.db2.gz QUPFKPHEMHRONM-QGZVFWFLSA-N 3 2 332.492 1.359 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000653686964 452077483 /nfs/dbraw/zinc/07/74/83/452077483.db2.gz HEEDGPPWDNDHMC-HUUCEWRRSA-N 2 2 340.427 1.801 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000637804636 452091096 /nfs/dbraw/zinc/09/10/96/452091096.db2.gz QTONIMOVIGOHRH-ZFWWWQNUSA-N 2 2 328.416 1.579 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764489 452105342 /nfs/dbraw/zinc/10/53/42/452105342.db2.gz VUEQLVOYABEWBF-KSSFIOAISA-N 2 2 337.439 1.219 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764489 452105351 /nfs/dbraw/zinc/10/53/51/452105351.db2.gz VUEQLVOYABEWBF-KSSFIOAISA-N 2 2 337.439 1.219 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639765594 452107063 /nfs/dbraw/zinc/10/70/63/452107063.db2.gz KLXCRVVKDQIVEN-IBGZPJMESA-N 2 2 349.475 1.042 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639765594 452107065 /nfs/dbraw/zinc/10/70/65/452107065.db2.gz KLXCRVVKDQIVEN-IBGZPJMESA-N 2 2 349.475 1.042 20 0 EDADLP COc1ccc([C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C(C)C)c(F)c1 ZINC000643345060 452143632 /nfs/dbraw/zinc/14/36/32/452143632.db2.gz PHNHVFBTQLAIDA-SFHVURJKSA-N 2 2 337.439 1.895 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000641770423 452244243 /nfs/dbraw/zinc/24/42/43/452244243.db2.gz REKOAALIKKPUEP-CQSZACIVSA-N 2 2 337.489 1.782 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000641772574 452244867 /nfs/dbraw/zinc/24/48/67/452244867.db2.gz ROSZFXMIJGTNBX-HNNXBMFYSA-N 2 2 335.427 1.589 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCc2cn3ccccc3n2)[C@H](C)CO1 ZINC000663546929 452252271 /nfs/dbraw/zinc/25/22/71/452252271.db2.gz BHHAFYUHBHSVQX-HUUCEWRRSA-N 2 2 345.447 1.285 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCc2cn3ccccc3n2)[C@H](C)CO1 ZINC000663546929 452252273 /nfs/dbraw/zinc/25/22/73/452252273.db2.gz BHHAFYUHBHSVQX-HUUCEWRRSA-N 2 2 345.447 1.285 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)[C@H](C)CO1 ZINC000663546929 452252282 /nfs/dbraw/zinc/25/22/82/452252282.db2.gz BHHAFYUHBHSVQX-HUUCEWRRSA-N 2 2 345.447 1.285 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)[C@H](C)CO1 ZINC000663546929 452252288 /nfs/dbraw/zinc/25/22/88/452252288.db2.gz BHHAFYUHBHSVQX-HUUCEWRRSA-N 2 2 345.447 1.285 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nc[nH+]1 ZINC000665703487 452264241 /nfs/dbraw/zinc/26/42/41/452264241.db2.gz VJDHONMOQASNBO-RDJZCZTQSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)nc[nH+]1 ZINC000665703487 452264251 /nfs/dbraw/zinc/26/42/51/452264251.db2.gz VJDHONMOQASNBO-RDJZCZTQSA-N 2 2 341.459 1.980 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000647529551 452266263 /nfs/dbraw/zinc/26/62/63/452266263.db2.gz UJDFWOLQPMOCPX-SOUVJXGZSA-N 2 2 334.382 1.771 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000647529551 452266268 /nfs/dbraw/zinc/26/62/68/452266268.db2.gz UJDFWOLQPMOCPX-SOUVJXGZSA-N 2 2 334.382 1.771 20 0 EDADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000647551608 452280034 /nfs/dbraw/zinc/28/00/34/452280034.db2.gz XRKCZYIYJSFDEG-RYQLBKOJSA-N 2 2 331.460 1.044 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH2+][C@@H]3C[C@H]([NH3+])C3(C)C)n12 ZINC000641803949 452281131 /nfs/dbraw/zinc/28/11/31/452281131.db2.gz WFXBROKDTHEGKH-UONOGXRCSA-N 2 2 340.431 1.105 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2[nH+]1 ZINC000657526363 452312015 /nfs/dbraw/zinc/31/20/15/452312015.db2.gz CBWQGIKEGNCQST-UKRRQHHQSA-N 2 2 341.415 1.324 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2[nH+]1 ZINC000657526363 452312028 /nfs/dbraw/zinc/31/20/28/452312028.db2.gz CBWQGIKEGNCQST-UKRRQHHQSA-N 2 2 341.415 1.324 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638052247 452325813 /nfs/dbraw/zinc/32/58/13/452325813.db2.gz XYAULJMVLMFUAG-GOSISDBHSA-N 2 2 330.432 1.607 20 0 EDADLP CCn1ccc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000649865796 452326363 /nfs/dbraw/zinc/32/63/63/452326363.db2.gz CPTJTAAWOPZMIY-JWTNVVGKSA-N 2 2 345.491 1.215 20 0 EDADLP CCn1ccc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000649865796 452326374 /nfs/dbraw/zinc/32/63/74/452326374.db2.gz CPTJTAAWOPZMIY-JWTNVVGKSA-N 2 2 345.491 1.215 20 0 EDADLP CCO[C@@H]1CN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)C[C@H]1C[NH3+] ZINC000652136023 452330342 /nfs/dbraw/zinc/33/03/42/452330342.db2.gz BVUUSMWGFKZATL-UKRRQHHQSA-N 2 2 331.420 1.148 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)NC/C=C/C[NH3+])CC2)cc(OC)c1 ZINC000641870626 452335078 /nfs/dbraw/zinc/33/50/78/452335078.db2.gz XAVZUWFZMCYKQP-ONEGZZNKSA-N 2 2 348.447 1.046 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663613916 452346105 /nfs/dbraw/zinc/34/61/05/452346105.db2.gz KRUNLTFHEHDKPG-GFCCVEGCSA-N 2 2 331.468 1.942 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663613916 452346116 /nfs/dbraw/zinc/34/61/16/452346116.db2.gz KRUNLTFHEHDKPG-GFCCVEGCSA-N 2 2 331.468 1.942 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000640049943 452390157 /nfs/dbraw/zinc/39/01/57/452390157.db2.gz VEKUJGRGJHKVKN-UHFFFAOYSA-N 2 2 346.406 1.687 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000640049943 452390166 /nfs/dbraw/zinc/39/01/66/452390166.db2.gz VEKUJGRGJHKVKN-UHFFFAOYSA-N 2 2 346.406 1.687 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[NH+](C)C ZINC000663659118 452400077 /nfs/dbraw/zinc/40/00/77/452400077.db2.gz QVSPEIUACMOQCK-WMZOPIPTSA-N 2 2 348.491 1.699 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000654360173 452409656 /nfs/dbraw/zinc/40/96/56/452409656.db2.gz DEWJIUQMDOACME-IYBDPMFKSA-N 2 2 347.463 1.058 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654373517 452424863 /nfs/dbraw/zinc/42/48/63/452424863.db2.gz KCGFHUAAKKCYND-HZPDHXFCSA-N 2 2 331.464 1.964 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654373517 452424866 /nfs/dbraw/zinc/42/48/66/452424866.db2.gz KCGFHUAAKKCYND-HZPDHXFCSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC1=CCCOC1 ZINC000661653201 452467670 /nfs/dbraw/zinc/46/76/70/452467670.db2.gz QRRXFYCEDOXXDF-INIZCTEOSA-N 2 2 344.459 1.397 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC1=CCCOC1 ZINC000661653201 452467677 /nfs/dbraw/zinc/46/76/77/452467677.db2.gz QRRXFYCEDOXXDF-INIZCTEOSA-N 2 2 344.459 1.397 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)cc2[nH+]1 ZINC000657722584 452471868 /nfs/dbraw/zinc/47/18/68/452471868.db2.gz LJZZNDRRDNLKIF-OCCSQVGLSA-N 2 2 341.415 1.323 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc2[nH+]1 ZINC000657722584 452471874 /nfs/dbraw/zinc/47/18/74/452471874.db2.gz LJZZNDRRDNLKIF-OCCSQVGLSA-N 2 2 341.415 1.323 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)C[NH2+]C)CC2)cc1 ZINC000659640140 452503569 /nfs/dbraw/zinc/50/35/69/452503569.db2.gz ULYOVQKUGOKVLN-OAHLLOKOSA-N 2 2 334.464 1.520 20 0 EDADLP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C[NH+]2CCOCC2)c1 ZINC000647784398 452520527 /nfs/dbraw/zinc/52/05/27/452520527.db2.gz SPNSRVPUPKMPGT-SLFFLAALSA-N 3 2 329.488 1.997 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655700213 452521337 /nfs/dbraw/zinc/52/13/37/452521337.db2.gz FVSMTAZCTFFEQD-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc2c1cc[nH]c2=O ZINC000640223656 452532449 /nfs/dbraw/zinc/53/24/49/452532449.db2.gz FRMOSERHJSYGDO-UHFFFAOYSA-N 2 2 345.447 1.945 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc2c1cc[nH]c2=O ZINC000640223656 452532456 /nfs/dbraw/zinc/53/24/56/452532456.db2.gz FRMOSERHJSYGDO-UHFFFAOYSA-N 2 2 345.447 1.945 20 0 EDADLP O=C1[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCN1CC(F)(F)F ZINC000655726743 452539362 /nfs/dbraw/zinc/53/93/62/452539362.db2.gz DQVKJZMXLGCQKR-KBPBESRZSA-N 2 2 349.397 1.383 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCC(C)(F)F)C2)CC1 ZINC000652370729 452559826 /nfs/dbraw/zinc/55/98/26/452559826.db2.gz LWOIIGSMFGDSON-CYBMUJFWSA-N 2 2 332.439 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCC(C)(F)F)C2)CC1 ZINC000652370729 452559835 /nfs/dbraw/zinc/55/98/35/452559835.db2.gz LWOIIGSMFGDSON-CYBMUJFWSA-N 2 2 332.439 1.890 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CN1c1ccccc1F ZINC000655769993 452566918 /nfs/dbraw/zinc/56/69/18/452566918.db2.gz VPFBTPJQJIWYLX-CVEARBPZSA-N 2 2 347.434 1.774 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C[C@@H]1C ZINC000657852287 452568286 /nfs/dbraw/zinc/56/82/86/452568286.db2.gz LETPLTOZKJMMJD-KBPBESRZSA-N 2 2 343.431 1.522 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C[C@@H]1C ZINC000657852287 452568296 /nfs/dbraw/zinc/56/82/96/452568296.db2.gz LETPLTOZKJMMJD-KBPBESRZSA-N 2 2 343.431 1.522 20 0 EDADLP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834905 452571215 /nfs/dbraw/zinc/57/12/15/452571215.db2.gz DPPSETQLZFGXPO-INIZCTEOSA-N 2 2 330.476 1.191 20 0 EDADLP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834905 452571224 /nfs/dbraw/zinc/57/12/24/452571224.db2.gz DPPSETQLZFGXPO-INIZCTEOSA-N 2 2 330.476 1.191 20 0 EDADLP Cc1sc2[nH]c([C@@H](C)[N@H+](C)CCN3CC[NH2+]CC3)nc(=O)c2c1C ZINC000647835422 452573044 /nfs/dbraw/zinc/57/30/44/452573044.db2.gz XTUUGTQIVMCCID-GFCCVEGCSA-N 2 2 349.504 1.912 20 0 EDADLP Cc1sc2[nH]c([C@@H](C)[N@@H+](C)CCN3CC[NH2+]CC3)nc(=O)c2c1C ZINC000647835422 452573049 /nfs/dbraw/zinc/57/30/49/452573049.db2.gz XTUUGTQIVMCCID-GFCCVEGCSA-N 2 2 349.504 1.912 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663850064 452575585 /nfs/dbraw/zinc/57/55/85/452575585.db2.gz QTQYGCJTANKHGJ-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP COc1ccc([C@H]2CCCN2C(=O)C[N@H+](C)CCC[NH3+])cc1OC ZINC000647848972 452582341 /nfs/dbraw/zinc/58/23/41/452582341.db2.gz BXFOTZDNBWZPDY-OAHLLOKOSA-N 2 2 335.448 1.648 20 0 EDADLP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+](C)CCC[NH3+])cc1OC ZINC000647848972 452582346 /nfs/dbraw/zinc/58/23/46/452582346.db2.gz BXFOTZDNBWZPDY-OAHLLOKOSA-N 2 2 335.448 1.648 20 0 EDADLP Cn1nnc2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000655830185 452601398 /nfs/dbraw/zinc/60/13/98/452601398.db2.gz UHXAZPJOZGYDBC-INIZCTEOSA-N 2 2 326.448 1.322 20 0 EDADLP O=C(N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000647874227 452613260 /nfs/dbraw/zinc/61/32/60/452613260.db2.gz JHTBIZDUIOJQMJ-CCLIWJKGSA-N 2 2 331.504 1.957 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000663894302 452619834 /nfs/dbraw/zinc/61/98/34/452619834.db2.gz YYFYOVWAQBZWMY-QGZVFWFLSA-N 2 2 338.496 1.225 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899667 452641694 /nfs/dbraw/zinc/64/16/94/452641694.db2.gz RVPIELUKTVQDNX-AEFFLSMTSA-N 2 2 331.460 1.775 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899667 452641703 /nfs/dbraw/zinc/64/17/03/452641703.db2.gz RVPIELUKTVQDNX-AEFFLSMTSA-N 2 2 331.460 1.775 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000647938834 452680467 /nfs/dbraw/zinc/68/04/67/452680467.db2.gz VXHLSMCKHIOSSH-DZGCQCFKSA-N 2 2 341.402 1.963 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000647938834 452680475 /nfs/dbraw/zinc/68/04/75/452680475.db2.gz VXHLSMCKHIOSSH-DZGCQCFKSA-N 2 2 341.402 1.963 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@@H]1[NH3+] ZINC000647939050 452681566 /nfs/dbraw/zinc/68/15/66/452681566.db2.gz ZQNOLTUCNIKIME-PBHICJAKSA-N 2 2 344.459 1.811 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@@H]1[NH3+] ZINC000647939050 452681579 /nfs/dbraw/zinc/68/15/79/452681579.db2.gz ZQNOLTUCNIKIME-PBHICJAKSA-N 2 2 344.459 1.811 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@H+](CCO)C[C@H]3C)c2cc1OC ZINC000663989799 452692520 /nfs/dbraw/zinc/69/25/20/452692520.db2.gz QGCZJINZDMFEEO-CYBMUJFWSA-N 2 2 331.416 1.755 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@@H+](CCO)C[C@H]3C)c2cc1OC ZINC000663989799 452692529 /nfs/dbraw/zinc/69/25/29/452692529.db2.gz QGCZJINZDMFEEO-CYBMUJFWSA-N 2 2 331.416 1.755 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCc2noc3ccccc32)C1 ZINC000655937634 452707133 /nfs/dbraw/zinc/70/71/33/452707133.db2.gz DANDAQXFDRXZSS-AWEZNQCLSA-N 2 2 328.416 1.267 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000655937634 452707141 /nfs/dbraw/zinc/70/71/41/452707141.db2.gz DANDAQXFDRXZSS-AWEZNQCLSA-N 2 2 328.416 1.267 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000652523597 452725707 /nfs/dbraw/zinc/72/57/07/452725707.db2.gz VQUXZDNFSZANOF-UHFFFAOYSA-N 2 2 348.491 1.622 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000652523597 452725713 /nfs/dbraw/zinc/72/57/13/452725713.db2.gz VQUXZDNFSZANOF-UHFFFAOYSA-N 2 2 348.491 1.622 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC1([NH3+])CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000648048962 452782934 /nfs/dbraw/zinc/78/29/34/452782934.db2.gz WWHGEZNSUWWDRF-AWEZNQCLSA-N 3 2 331.464 1.162 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662035662 452787589 /nfs/dbraw/zinc/78/75/89/452787589.db2.gz GJZCJCWFVSSUGV-SJORKVTESA-N 2 2 344.459 1.089 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H]2COC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000662035662 452787593 /nfs/dbraw/zinc/78/75/93/452787593.db2.gz GJZCJCWFVSSUGV-SJORKVTESA-N 2 2 344.459 1.089 20 0 EDADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000648064688 452792790 /nfs/dbraw/zinc/79/27/90/452792790.db2.gz ILAZYPMDFDFKNC-OAHLLOKOSA-N 2 2 327.432 1.424 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000659911398 452801058 /nfs/dbraw/zinc/80/10/58/452801058.db2.gz XSNHQEPBXWMXBI-QRVBRYPASA-N 2 2 338.540 1.198 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000659911398 452801064 /nfs/dbraw/zinc/80/10/64/452801064.db2.gz XSNHQEPBXWMXBI-QRVBRYPASA-N 2 2 338.540 1.198 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000648130115 452844918 /nfs/dbraw/zinc/84/49/18/452844918.db2.gz JAOOVPQSYKXAMM-GOEBONIOSA-N 2 2 327.432 1.965 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000664180022 452847993 /nfs/dbraw/zinc/84/79/93/452847993.db2.gz YTAYZLPAUJJVJF-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000664180022 452847999 /nfs/dbraw/zinc/84/79/99/452847999.db2.gz YTAYZLPAUJJVJF-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664180022 452848005 /nfs/dbraw/zinc/84/80/05/452848005.db2.gz YTAYZLPAUJJVJF-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664180022 452848016 /nfs/dbraw/zinc/84/80/16/452848016.db2.gz YTAYZLPAUJJVJF-GVDBMIGSSA-N 2 2 340.512 1.659 20 0 EDADLP COc1ccc(C(=O)CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662151279 452886955 /nfs/dbraw/zinc/88/69/55/452886955.db2.gz HLIDPPNKHLQHSO-QGZVFWFLSA-N 2 2 332.444 1.799 20 0 EDADLP COc1ccc(C(=O)CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662151279 452886960 /nfs/dbraw/zinc/88/69/60/452886960.db2.gz HLIDPPNKHLQHSO-QGZVFWFLSA-N 2 2 332.444 1.799 20 0 EDADLP O=c1[nH]c2ccccc2n1CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662155447 452893819 /nfs/dbraw/zinc/89/38/19/452893819.db2.gz IUKSCLWMMMLMKQ-MRXNPFEDSA-N 2 2 344.459 1.663 20 0 EDADLP O=c1[nH]c2ccccc2n1CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662155447 452893824 /nfs/dbraw/zinc/89/38/24/452893824.db2.gz IUKSCLWMMMLMKQ-MRXNPFEDSA-N 2 2 344.459 1.663 20 0 EDADLP Cc1cc(F)cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658427936 452957243 /nfs/dbraw/zinc/95/72/43/452957243.db2.gz FXLROEYRXOFWKY-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1cc(F)cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658427936 452957252 /nfs/dbraw/zinc/95/72/52/452957252.db2.gz FXLROEYRXOFWKY-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977739 452965438 /nfs/dbraw/zinc/96/54/38/452965438.db2.gz KDZPULNYZFYTKA-VQIMIIECSA-N 3 2 342.487 1.158 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977739 452965449 /nfs/dbraw/zinc/96/54/49/452965449.db2.gz KDZPULNYZFYTKA-VQIMIIECSA-N 3 2 342.487 1.158 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000654850527 452973578 /nfs/dbraw/zinc/97/35/78/452973578.db2.gz ZTPSHVBVUBUEFG-NEPJUHHUSA-N 2 2 332.370 1.914 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000654850527 452973589 /nfs/dbraw/zinc/97/35/89/452973589.db2.gz ZTPSHVBVUBUEFG-NEPJUHHUSA-N 2 2 332.370 1.914 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761124 452977810 /nfs/dbraw/zinc/97/78/10/452977810.db2.gz SMRCPJONARCDAD-DGCLKSJQSA-N 2 2 328.359 1.907 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662260962 452989681 /nfs/dbraw/zinc/98/96/81/452989681.db2.gz DLZQXAJXHNONHU-LPHOPBHVSA-N 2 2 345.487 1.895 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658468989 453006625 /nfs/dbraw/zinc/00/66/25/453006625.db2.gz ZZIKZPQAPCJFAX-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658468989 453006633 /nfs/dbraw/zinc/00/66/33/453006633.db2.gz ZZIKZPQAPCJFAX-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP Cc1ccc([C@@H](NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C2CC2)cc1 ZINC000662285388 453009957 /nfs/dbraw/zinc/00/99/57/453009957.db2.gz FTTJLASVPFXAAP-GOSISDBHSA-N 2 2 331.460 1.266 20 0 EDADLP Cc1c(-c2cc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)on2)cnn1C ZINC000662326213 453042461 /nfs/dbraw/zinc/04/24/61/453042461.db2.gz WTAFZOJKTBFOFA-HNNXBMFYSA-N 2 2 347.463 1.926 20 0 EDADLP Cc1c(-c2cc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)on2)cnn1C ZINC000662326213 453042472 /nfs/dbraw/zinc/04/24/72/453042472.db2.gz WTAFZOJKTBFOFA-HNNXBMFYSA-N 2 2 347.463 1.926 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cnnn2-c2ccccc2)CCO1 ZINC000662324451 453043016 /nfs/dbraw/zinc/04/30/16/453043016.db2.gz VQRFGFHLHYEASD-SFHVURJKSA-N 2 2 329.448 1.810 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cnnn2-c2ccccc2)CCO1 ZINC000662324451 453043024 /nfs/dbraw/zinc/04/30/24/453043024.db2.gz VQRFGFHLHYEASD-SFHVURJKSA-N 2 2 329.448 1.810 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654947424 453058659 /nfs/dbraw/zinc/05/86/59/453058659.db2.gz SEBPXBSXURYGMW-OCCSQVGLSA-N 2 2 332.404 1.162 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654947424 453058669 /nfs/dbraw/zinc/05/86/69/453058669.db2.gz SEBPXBSXURYGMW-OCCSQVGLSA-N 2 2 332.404 1.162 20 0 EDADLP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103560 453105894 /nfs/dbraw/zinc/10/58/94/453105894.db2.gz IZEKVSYSWUGGOY-AWEZNQCLSA-N 2 2 337.489 1.549 20 0 EDADLP C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103560 453105902 /nfs/dbraw/zinc/10/59/02/453105902.db2.gz IZEKVSYSWUGGOY-AWEZNQCLSA-N 2 2 337.489 1.549 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000652926631 453110191 /nfs/dbraw/zinc/11/01/91/453110191.db2.gz GWABNQYSTZNYQG-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000652926631 453110197 /nfs/dbraw/zinc/11/01/97/453110197.db2.gz GWABNQYSTZNYQG-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP CC(C)[NH2+]CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000662413235 453123593 /nfs/dbraw/zinc/12/35/93/453123593.db2.gz UDPSQMMRJKUJIL-UHFFFAOYSA-N 2 2 335.448 1.012 20 0 EDADLP Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000664475503 453126905 /nfs/dbraw/zinc/12/69/05/453126905.db2.gz PHJHLXGFVSMQFV-ZFWWWQNUSA-N 2 2 338.500 1.220 20 0 EDADLP Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000664475503 453126909 /nfs/dbraw/zinc/12/69/09/453126909.db2.gz PHJHLXGFVSMQFV-ZFWWWQNUSA-N 2 2 338.500 1.220 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@@H](C)CO1 ZINC000664520786 453161289 /nfs/dbraw/zinc/16/12/89/453161289.db2.gz POJBPHRQZOVNBZ-ARFHVFGLSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@@H](C)CO1 ZINC000664520786 453161295 /nfs/dbraw/zinc/16/12/95/453161295.db2.gz POJBPHRQZOVNBZ-ARFHVFGLSA-N 2 2 347.463 1.069 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000660269284 453163448 /nfs/dbraw/zinc/16/34/48/453163448.db2.gz DBHJEEJWQIJJEW-GOSISDBHSA-N 2 2 346.475 1.263 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000650987862 453165454 /nfs/dbraw/zinc/16/54/54/453165454.db2.gz KUZOPJLSTFDRCI-INIZCTEOSA-N 2 2 333.480 1.937 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000650987862 453165466 /nfs/dbraw/zinc/16/54/66/453165466.db2.gz KUZOPJLSTFDRCI-INIZCTEOSA-N 2 2 333.480 1.937 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000660289765 453178390 /nfs/dbraw/zinc/17/83/90/453178390.db2.gz VYWAAHGGMRZLJH-GOSISDBHSA-N 2 2 346.475 1.263 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@@]3(C)CCC[NH2+]C3)cn21 ZINC000646203296 453214256 /nfs/dbraw/zinc/21/42/56/453214256.db2.gz BOKDYVDNADTAPU-SFHVURJKSA-N 2 2 329.448 1.874 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662523981 453243460 /nfs/dbraw/zinc/24/34/60/453243460.db2.gz SFVUQVGLUSSHBM-CYBMUJFWSA-N 2 2 326.238 1.613 20 0 EDADLP CCCCNC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653073151 453251085 /nfs/dbraw/zinc/25/10/85/453251085.db2.gz SJTPYIOEJHVFFN-INIZCTEOSA-N 2 2 334.464 1.112 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000648782553 453264440 /nfs/dbraw/zinc/26/44/40/453264440.db2.gz OKOSKYSAPCWPHV-HZPDHXFCSA-N 2 2 335.496 1.396 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000648782553 453264451 /nfs/dbraw/zinc/26/44/51/453264451.db2.gz OKOSKYSAPCWPHV-HZPDHXFCSA-N 2 2 335.496 1.396 20 0 EDADLP COc1ccccc1SC[C@@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653086804 453268141 /nfs/dbraw/zinc/26/81/41/453268141.db2.gz BZLZXURTGQTJRA-KBPBESRZSA-N 2 2 339.505 1.819 20 0 EDADLP CCc1ccc2c(c1)[C@@H](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)N2 ZINC000653088600 453270465 /nfs/dbraw/zinc/27/04/65/453270465.db2.gz DNOUAQADYGYLTM-UKRRQHHQSA-N 2 2 332.448 1.070 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOc1ccccc1C(F)(F)F ZINC000653087776 453271067 /nfs/dbraw/zinc/27/10/67/453271067.db2.gz FUAHAEZDGBLNJU-GFCCVEGCSA-N 2 2 333.354 1.479 20 0 EDADLP Cc1ccc(C)c([C@@H]2CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C)CO2)c1 ZINC000653097300 453279908 /nfs/dbraw/zinc/27/99/08/453279908.db2.gz JIBBYEUERQWUBJ-JQHSSLGASA-N 2 2 333.476 1.871 20 0 EDADLP C[C@@H](CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000664643821 453281477 /nfs/dbraw/zinc/28/14/77/453281477.db2.gz YBUNVHWMKHPEAZ-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP COc1cccc(-c2noc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n2)c1 ZINC000653101787 453284580 /nfs/dbraw/zinc/28/45/80/453284580.db2.gz GKUNGWNWMSGXNO-FZMZJTMJSA-N 2 2 347.419 1.201 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000666971856 453288025 /nfs/dbraw/zinc/28/80/25/453288025.db2.gz IRIIANWFCOIICO-CVEARBPZSA-N 2 2 347.463 1.900 20 0 EDADLP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000653106276 453288276 /nfs/dbraw/zinc/28/82/76/453288276.db2.gz ZLJHMXYAKPTMOZ-MOPGFXCFSA-N 2 2 343.471 1.740 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121032 453311006 /nfs/dbraw/zinc/31/10/06/453311006.db2.gz LGEABTFHZCSOOU-JFRXWTBNSA-N 3 2 346.519 1.538 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121032 453311011 /nfs/dbraw/zinc/31/10/11/453311011.db2.gz LGEABTFHZCSOOU-JFRXWTBNSA-N 3 2 346.519 1.538 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646338322 453329910 /nfs/dbraw/zinc/32/99/10/453329910.db2.gz ITYFATNWWSAJQA-FUHWJXTLSA-N 2 2 329.444 1.343 20 0 EDADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473764 453334409 /nfs/dbraw/zinc/33/44/09/453334409.db2.gz UWNGKFBVRGLVFG-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473764 453334416 /nfs/dbraw/zinc/33/44/16/453334416.db2.gz UWNGKFBVRGLVFG-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000660495565 453349221 /nfs/dbraw/zinc/34/92/21/453349221.db2.gz HXCXVFKHOOKJFO-GGPKGHCWSA-N 2 2 331.504 1.954 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000660495565 453349225 /nfs/dbraw/zinc/34/92/25/453349225.db2.gz HXCXVFKHOOKJFO-GGPKGHCWSA-N 2 2 331.504 1.954 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000653158981 453350536 /nfs/dbraw/zinc/35/05/36/453350536.db2.gz QLVAZPXRBAYBQG-KGLIPLIRSA-N 2 2 325.840 1.949 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653169039 453360660 /nfs/dbraw/zinc/36/06/60/453360660.db2.gz ZYWNHXOFDQWIEJ-AEFFLSMTSA-N 3 2 338.540 1.769 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653169039 453360671 /nfs/dbraw/zinc/36/06/71/453360671.db2.gz ZYWNHXOFDQWIEJ-AEFFLSMTSA-N 3 2 338.540 1.769 20 0 EDADLP C[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243660 453365104 /nfs/dbraw/zinc/36/51/04/453365104.db2.gz HNAUUBFEKNCODY-KFWWJZLASA-N 2 2 334.464 1.376 20 0 EDADLP C[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243660 453365113 /nfs/dbraw/zinc/36/51/13/453365113.db2.gz HNAUUBFEKNCODY-KFWWJZLASA-N 2 2 334.464 1.376 20 0 EDADLP CCN1C[C@H](C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C)Oc2ccccc21 ZINC000656694418 453367729 /nfs/dbraw/zinc/36/77/29/453367729.db2.gz PENNBDMFFIAKKF-IRXDYDNUSA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@H](C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)Oc2ccccc21 ZINC000656694418 453367736 /nfs/dbraw/zinc/36/77/36/453367736.db2.gz PENNBDMFFIAKKF-IRXDYDNUSA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@H](C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C)Oc2ccccc21 ZINC000656694418 453367743 /nfs/dbraw/zinc/36/77/43/453367743.db2.gz PENNBDMFFIAKKF-IRXDYDNUSA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@H](C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)Oc2ccccc21 ZINC000656694418 453367754 /nfs/dbraw/zinc/36/77/54/453367754.db2.gz PENNBDMFFIAKKF-IRXDYDNUSA-N 2 2 335.492 1.907 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000648893978 453370981 /nfs/dbraw/zinc/37/09/81/453370981.db2.gz DNXPJRVWBWAJLE-IAGOWNOFSA-N 2 2 348.491 1.967 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000656698374 453375874 /nfs/dbraw/zinc/37/58/74/453375874.db2.gz PRWRKGJVIPWJDN-LJQANCHMSA-N 3 2 340.556 1.178 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000656698374 453375884 /nfs/dbraw/zinc/37/58/84/453375884.db2.gz PRWRKGJVIPWJDN-LJQANCHMSA-N 3 2 340.556 1.178 20 0 EDADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000662665541 453379891 /nfs/dbraw/zinc/37/98/91/453379891.db2.gz GBXTXXCQXKHGDK-HOTGVXAUSA-N 2 2 337.851 1.348 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000658782079 453389702 /nfs/dbraw/zinc/38/97/02/453389702.db2.gz FJNXEIGNYHXVPP-AWEZNQCLSA-N 2 2 329.404 1.182 20 0 EDADLP COCC(COC)[NH+]1CCN(Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000664816345 453423096 /nfs/dbraw/zinc/42/30/96/453423096.db2.gz JPINNIPJSJKFMF-UHFFFAOYSA-N 2 2 332.448 1.422 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)c1 ZINC000662717961 453442286 /nfs/dbraw/zinc/44/22/86/453442286.db2.gz FWKPHZYRFMNRRU-WBAXXEDZSA-N 2 2 347.459 1.264 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)COCC[NH3+])[C@@H](C)C1 ZINC000646528021 453454918 /nfs/dbraw/zinc/45/49/18/453454918.db2.gz VJFKBECQTNMYSH-HNNXBMFYSA-N 2 2 335.448 1.093 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)COCC[NH3+])[C@@H](C)C1 ZINC000646528021 453454928 /nfs/dbraw/zinc/45/49/28/453454928.db2.gz VJFKBECQTNMYSH-HNNXBMFYSA-N 2 2 335.448 1.093 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662735656 453461275 /nfs/dbraw/zinc/46/12/75/453461275.db2.gz OMQJYVMHTWVSNA-ZDUSSCGKSA-N 2 2 325.376 1.493 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000662740653 453467290 /nfs/dbraw/zinc/46/72/90/453467290.db2.gz AOWNALKBESTUCB-INIZCTEOSA-N 2 2 342.443 1.284 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000662740653 453467299 /nfs/dbraw/zinc/46/72/99/453467299.db2.gz AOWNALKBESTUCB-INIZCTEOSA-N 2 2 342.443 1.284 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651327982 453473330 /nfs/dbraw/zinc/47/33/30/453473330.db2.gz NNSZHWBMRRNGPU-UHFFFAOYSA-N 3 2 349.523 1.494 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662758751 453495730 /nfs/dbraw/zinc/49/57/30/453495730.db2.gz SPSAEEHYDFERDE-UHFFFAOYSA-N 2 2 342.487 1.600 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660658215 453496511 /nfs/dbraw/zinc/49/65/11/453496511.db2.gz WXZKRCUOJXGKHC-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660658215 453496518 /nfs/dbraw/zinc/49/65/18/453496518.db2.gz WXZKRCUOJXGKHC-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660658215 453496528 /nfs/dbraw/zinc/49/65/28/453496528.db2.gz WXZKRCUOJXGKHC-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660658215 453496537 /nfs/dbraw/zinc/49/65/37/453496537.db2.gz WXZKRCUOJXGKHC-FQEVSTJZSA-N 2 2 345.487 1.867 20 0 EDADLP C[NH+]1CCN(c2cc(-c3noc(CCn4cc[nH+]c4)n3)ccn2)CC1 ZINC000664935290 453499784 /nfs/dbraw/zinc/49/97/84/453499784.db2.gz XTTNZWRHQLWRIF-UHFFFAOYSA-N 2 2 339.403 1.323 20 0 EDADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1[nH+]ccn1C ZINC000667250136 453512506 /nfs/dbraw/zinc/51/25/06/453512506.db2.gz IEBUBQOJNZNOLF-HNNXBMFYSA-N 2 2 348.495 1.150 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000646627428 453523191 /nfs/dbraw/zinc/52/31/91/453523191.db2.gz MOYMQFVVZKCATN-GOSISDBHSA-N 2 2 345.487 1.908 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000646627428 453523198 /nfs/dbraw/zinc/52/31/98/453523198.db2.gz MOYMQFVVZKCATN-GOSISDBHSA-N 2 2 345.487 1.908 20 0 EDADLP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000655443061 453530676 /nfs/dbraw/zinc/53/06/76/453530676.db2.gz MNMNAYNPSBWCJM-ICSRJNTNSA-N 2 2 343.471 1.599 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000665045072 453550971 /nfs/dbraw/zinc/55/09/71/453550971.db2.gz DEGCVSJEKIGERN-CVEARBPZSA-N 2 2 349.479 1.860 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832040 453558012 /nfs/dbraw/zinc/55/80/12/453558012.db2.gz IBUXGZKUJLLDIR-LSSIXWDNSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832040 453558016 /nfs/dbraw/zinc/55/80/16/453558016.db2.gz IBUXGZKUJLLDIR-LSSIXWDNSA-N 2 2 341.402 1.579 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000662850842 453571025 /nfs/dbraw/zinc/57/10/25/453571025.db2.gz WYDCVDUHSCOEPU-AWEZNQCLSA-N 2 2 332.379 1.194 20 0 EDADLP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000662868319 453580416 /nfs/dbraw/zinc/58/04/16/453580416.db2.gz CGXXYFWQHCDNSA-PVAVHDDUSA-N 2 2 342.418 1.847 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659027813 453587153 /nfs/dbraw/zinc/58/71/53/453587153.db2.gz JRWDQNLOTVYNOW-INIZCTEOSA-N 2 2 329.404 1.756 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000662939856 453615605 /nfs/dbraw/zinc/61/56/05/453615605.db2.gz JLHXPHGTKACPIX-MRXNPFEDSA-N 2 2 339.443 1.040 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000662939856 453615610 /nfs/dbraw/zinc/61/56/10/453615610.db2.gz JLHXPHGTKACPIX-MRXNPFEDSA-N 2 2 339.443 1.040 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000659089299 453623987 /nfs/dbraw/zinc/62/39/87/453623987.db2.gz FIJXIWMGEPIFEP-UHFFFAOYSA-N 2 2 343.431 1.585 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659089979 453624758 /nfs/dbraw/zinc/62/47/58/453624758.db2.gz GNZSFBXWRVXTAX-AWEZNQCLSA-N 2 2 346.431 1.267 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665279750 453634457 /nfs/dbraw/zinc/63/44/57/453634457.db2.gz LFGMIXFUTCCHAT-IFQILLTASA-N 2 2 326.238 1.341 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000660934255 453652195 /nfs/dbraw/zinc/65/21/95/453652195.db2.gz OEWBKWGZKQLDQA-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000660934255 453652199 /nfs/dbraw/zinc/65/21/99/453652199.db2.gz OEWBKWGZKQLDQA-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000660934255 453652203 /nfs/dbraw/zinc/65/22/03/453652203.db2.gz OEWBKWGZKQLDQA-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000660934255 453652205 /nfs/dbraw/zinc/65/22/05/453652205.db2.gz OEWBKWGZKQLDQA-RYQLBKOJSA-N 2 2 346.475 1.279 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000657093072 453675837 /nfs/dbraw/zinc/67/58/37/453675837.db2.gz XNIPXTKDEKYOSU-UHFFFAOYSA-N 2 2 347.912 1.643 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000657093072 453675839 /nfs/dbraw/zinc/67/58/39/453675839.db2.gz XNIPXTKDEKYOSU-UHFFFAOYSA-N 2 2 347.912 1.643 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1noc2ccccc12 ZINC000665435993 453692209 /nfs/dbraw/zinc/69/22/09/453692209.db2.gz PHEHGQJBEACDDF-UHFFFAOYSA-N 2 2 347.463 1.553 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1noc2ccccc12 ZINC000665435993 453692210 /nfs/dbraw/zinc/69/22/10/453692210.db2.gz PHEHGQJBEACDDF-UHFFFAOYSA-N 2 2 347.463 1.553 20 0 EDADLP Cc1nn(C)c2ncc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc12 ZINC000665571437 453753415 /nfs/dbraw/zinc/75/34/15/453753415.db2.gz RUTVYQACAXLCDT-UHFFFAOYSA-N 2 2 347.467 1.282 20 0 EDADLP Cc1nn(C)c2ncc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000665571437 453753418 /nfs/dbraw/zinc/75/34/18/453753418.db2.gz RUTVYQACAXLCDT-UHFFFAOYSA-N 2 2 347.467 1.282 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3ccc[nH+]c3N3CCCC3)[C@@H]2C1 ZINC000665617632 453768467 /nfs/dbraw/zinc/76/84/67/453768467.db2.gz QHMYWWKHUCWTPG-DOTOQJQBSA-N 2 2 343.475 1.917 20 0 EDADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000657366044 453776103 /nfs/dbraw/zinc/77/61/03/453776103.db2.gz BEQMAHQBLSXZAC-KURKYZTESA-N 2 2 337.508 1.868 20 0 EDADLP OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657369786 453776207 /nfs/dbraw/zinc/77/62/07/453776207.db2.gz FLXLKLSJFSUXRA-PKOBYXMFSA-N 2 2 340.471 1.802 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000663394944 453788228 /nfs/dbraw/zinc/78/82/28/453788228.db2.gz AFUMZAYNCIMEKM-CYBMUJFWSA-N 2 2 329.404 1.263 20 0 EDADLP CC[NH+](CC)CCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000663401327 453789954 /nfs/dbraw/zinc/78/99/54/453789954.db2.gz KFQPMWKJSYCNGU-ZDUSSCGKSA-N 2 2 325.457 1.121 20 0 EDADLP C[C@@H](CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1)[NH+](C)C ZINC000663484184 453806850 /nfs/dbraw/zinc/80/68/50/453806850.db2.gz UIPQQKIZOVXSPI-INIZCTEOSA-N 2 2 348.491 1.658 20 0 EDADLP C[C@H]1CC[N@H+](Cc2nnnn2C2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000683370901 486698708 /nfs/dbraw/zinc/69/87/08/486698708.db2.gz VBYWIWXRIYGRPN-DZGCQCFKSA-N 2 2 331.424 1.304 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2nnnn2C2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000683370901 486698712 /nfs/dbraw/zinc/69/87/12/486698712.db2.gz VBYWIWXRIYGRPN-DZGCQCFKSA-N 2 2 331.424 1.304 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000672695037 486765931 /nfs/dbraw/zinc/76/59/31/486765931.db2.gz GZDQRZYOJWEFOK-GJZGRUSLSA-N 2 2 347.463 1.106 20 0 EDADLP CCc1nnc(C)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680536604 486803339 /nfs/dbraw/zinc/80/33/39/486803339.db2.gz SJRZPGXBWQFBBN-AWEZNQCLSA-N 2 2 331.464 1.246 20 0 EDADLP CCc1nnc(C)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680536604 486803345 /nfs/dbraw/zinc/80/33/45/486803345.db2.gz SJRZPGXBWQFBBN-AWEZNQCLSA-N 2 2 331.464 1.246 20 0 EDADLP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667512406 486815478 /nfs/dbraw/zinc/81/54/78/486815478.db2.gz DVBRCNBDDHZVGQ-CYBMUJFWSA-N 2 2 326.466 1.123 20 0 EDADLP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667512406 486815482 /nfs/dbraw/zinc/81/54/82/486815482.db2.gz DVBRCNBDDHZVGQ-CYBMUJFWSA-N 2 2 326.466 1.123 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000683815359 486826320 /nfs/dbraw/zinc/82/63/20/486826320.db2.gz CEPLMEBCAOGZDK-SNVBAGLBSA-N 2 2 346.294 1.935 20 0 EDADLP c1cc(C[N@H+]2CCC[C@H]2CN2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000667534910 486827555 /nfs/dbraw/zinc/82/75/55/486827555.db2.gz PBIOPVAADSTGOT-KRWDZBQOSA-N 2 2 327.432 1.564 20 0 EDADLP c1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000667534910 486827563 /nfs/dbraw/zinc/82/75/63/486827563.db2.gz PBIOPVAADSTGOT-KRWDZBQOSA-N 2 2 327.432 1.564 20 0 EDADLP c1cc(CN2CCC[C@H]2C[NH+]2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000667534910 486827568 /nfs/dbraw/zinc/82/75/68/486827568.db2.gz PBIOPVAADSTGOT-KRWDZBQOSA-N 2 2 327.432 1.564 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000672906325 486836227 /nfs/dbraw/zinc/83/62/27/486836227.db2.gz WHABGIAKQDQATN-GOEBONIOSA-N 2 2 329.448 1.953 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000680826865 486860899 /nfs/dbraw/zinc/86/08/99/486860899.db2.gz YUADMDOFNOLQCD-SFHVURJKSA-N 2 2 328.460 1.814 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000680826865 486860902 /nfs/dbraw/zinc/86/09/02/486860902.db2.gz YUADMDOFNOLQCD-SFHVURJKSA-N 2 2 328.460 1.814 20 0 EDADLP CC1=CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000680826865 486860908 /nfs/dbraw/zinc/86/09/08/486860908.db2.gz YUADMDOFNOLQCD-SFHVURJKSA-N 2 2 328.460 1.814 20 0 EDADLP CC1=CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000680826865 486860915 /nfs/dbraw/zinc/86/09/15/486860915.db2.gz YUADMDOFNOLQCD-SFHVURJKSA-N 2 2 328.460 1.814 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000672976775 486862276 /nfs/dbraw/zinc/86/22/76/486862276.db2.gz GKQFCUVXOCVKKA-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000672976775 486862282 /nfs/dbraw/zinc/86/22/82/486862282.db2.gz GKQFCUVXOCVKKA-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP Cc1[nH+]cc(CN2CC[NH+](CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1C ZINC000667594556 486864282 /nfs/dbraw/zinc/86/42/82/486864282.db2.gz HRWSNDQJYSEWGA-RDJZCZTQSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1[nH+]cc(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)n1C ZINC000667595663 486865799 /nfs/dbraw/zinc/86/57/99/486865799.db2.gz MKZZFDXUQFQPJL-CQSZACIVSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccc(C[NH+](C)C)cc1)CC2 ZINC000683947756 486877801 /nfs/dbraw/zinc/87/78/01/486877801.db2.gz PCKSQLYZNMWEIG-UHFFFAOYSA-N 2 2 334.445 1.458 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H](C)O1 ZINC000683981340 486894178 /nfs/dbraw/zinc/89/41/78/486894178.db2.gz GMZYPJQJGRFZPH-GASCZTMLSA-N 2 2 349.479 1.470 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H](C)O1 ZINC000683981340 486894184 /nfs/dbraw/zinc/89/41/84/486894184.db2.gz GMZYPJQJGRFZPH-GASCZTMLSA-N 2 2 349.479 1.470 20 0 EDADLP O=C(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)NC1CCCC1 ZINC000677002405 486950919 /nfs/dbraw/zinc/95/09/19/486950919.db2.gz LGWDQGRHXTVLCS-UHFFFAOYSA-N 2 2 337.387 1.681 20 0 EDADLP C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@H](c1ccccc1)[NH+](C)C ZINC000681167025 486957587 /nfs/dbraw/zinc/95/75/87/486957587.db2.gz CCHMPCRNBVODAA-KQZBIBICSA-N 2 2 344.459 1.788 20 0 EDADLP CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000681177907 486961561 /nfs/dbraw/zinc/96/15/61/486961561.db2.gz IEMHUPGCYASUQB-UHFFFAOYSA-N 2 2 344.463 1.872 20 0 EDADLP CN(C(=O)NCc1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681208128 486974181 /nfs/dbraw/zinc/97/41/81/486974181.db2.gz WPUXTMUEWVJDJG-QGZVFWFLSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C(=O)NCc1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681208128 486974184 /nfs/dbraw/zinc/97/41/84/486974184.db2.gz WPUXTMUEWVJDJG-QGZVFWFLSA-N 2 2 331.464 1.392 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214329 486975265 /nfs/dbraw/zinc/97/52/65/486975265.db2.gz GZOUZDDFYAULTM-QGZVFWFLSA-N 3 2 348.495 1.001 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214329 486975273 /nfs/dbraw/zinc/97/52/73/486975273.db2.gz GZOUZDDFYAULTM-QGZVFWFLSA-N 3 2 348.495 1.001 20 0 EDADLP COC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000681217769 486977322 /nfs/dbraw/zinc/97/73/22/486977322.db2.gz XCEJNNPECZPAIP-DLBZAZTESA-N 2 2 338.496 1.221 20 0 EDADLP COC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000681217769 486977325 /nfs/dbraw/zinc/97/73/25/486977325.db2.gz XCEJNNPECZPAIP-DLBZAZTESA-N 2 2 338.496 1.221 20 0 EDADLP CCc1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000681219462 486978352 /nfs/dbraw/zinc/97/83/52/486978352.db2.gz XHOSDKHIAZDSCD-INIZCTEOSA-N 2 2 349.479 1.547 20 0 EDADLP CCc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000681219462 486978358 /nfs/dbraw/zinc/97/83/58/486978358.db2.gz XHOSDKHIAZDSCD-INIZCTEOSA-N 2 2 349.479 1.547 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000673442495 487001802 /nfs/dbraw/zinc/00/18/02/487001802.db2.gz MDNQYFVRFZNSQR-OAHLLOKOSA-N 2 2 332.448 1.475 20 0 EDADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c[nH+]1 ZINC000684384088 487045024 /nfs/dbraw/zinc/04/50/24/487045024.db2.gz ULXIOASTXXVALG-YJBOKZPZSA-N 2 2 330.432 1.633 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000684428827 487057360 /nfs/dbraw/zinc/05/73/60/487057360.db2.gz OSRRKHZDVRSWEO-UHFFFAOYSA-N 2 2 327.432 1.873 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC000677472634 487093625 /nfs/dbraw/zinc/09/36/25/487093625.db2.gz GKLQMRNEYJSYON-INIZCTEOSA-N 2 2 325.416 1.979 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC000677472634 487093629 /nfs/dbraw/zinc/09/36/29/487093629.db2.gz GKLQMRNEYJSYON-INIZCTEOSA-N 2 2 325.416 1.979 20 0 EDADLP COCC[NH+](CCOC)C1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000668147742 487120293 /nfs/dbraw/zinc/12/02/93/487120293.db2.gz SZVKCRHJURQHPB-UHFFFAOYSA-N 2 2 336.480 1.389 20 0 EDADLP O=C(C[NH2+]Cc1cn(C2CCC2)nn1)NCC[NH+]1CCCCCC1 ZINC000668189976 487135876 /nfs/dbraw/zinc/13/58/76/487135876.db2.gz WBVRUMWXNKOVNO-UHFFFAOYSA-N 2 2 334.468 1.085 20 0 EDADLP Cc1cn(C)nc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000668209139 487144469 /nfs/dbraw/zinc/14/44/69/487144469.db2.gz VBOWMGTZGKVTKW-UHFFFAOYSA-N 2 2 334.468 1.409 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)CC2)[nH+]c1 ZINC000681754064 487159062 /nfs/dbraw/zinc/15/90/62/487159062.db2.gz BOZOJYKFYBSWHO-MRXNPFEDSA-N 2 2 339.443 1.934 20 0 EDADLP c1cn(-c2cc(N3CCC[N@@H+](C[C@@H]4CCCO4)CC3)ncn2)c[nH+]1 ZINC000673932775 487161901 /nfs/dbraw/zinc/16/19/01/487161901.db2.gz FTOPWFNTTNGCRZ-HNNXBMFYSA-N 2 2 328.420 1.353 20 0 EDADLP c1cn(-c2cc(N3CCC[N@H+](C[C@@H]4CCCO4)CC3)ncn2)c[nH+]1 ZINC000673932775 487161904 /nfs/dbraw/zinc/16/19/04/487161904.db2.gz FTOPWFNTTNGCRZ-HNNXBMFYSA-N 2 2 328.420 1.353 20 0 EDADLP O=C(C[NH+]1CCC(Nc2cccc[nH+]2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000677988220 487222085 /nfs/dbraw/zinc/22/20/85/487222085.db2.gz ODKKEYPCPSNWNB-QGZVFWFLSA-N 2 2 344.459 1.595 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H](C)C3CC[NH+](C)CC3)ccc2[nH+]1 ZINC000682193365 487318530 /nfs/dbraw/zinc/31/85/30/487318530.db2.gz SFRWJKHQEMCHKM-CYBMUJFWSA-N 2 2 343.431 1.428 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682494178 487375671 /nfs/dbraw/zinc/37/56/71/487375671.db2.gz PVEVARXPOWEZDF-IRXDYDNUSA-N 2 2 345.491 1.074 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682494178 487375673 /nfs/dbraw/zinc/37/56/73/487375673.db2.gz PVEVARXPOWEZDF-IRXDYDNUSA-N 2 2 345.491 1.074 20 0 EDADLP CC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000679102049 487392370 /nfs/dbraw/zinc/39/23/70/487392370.db2.gz SREQHPGVPGKXAA-OAHLLOKOSA-N 2 2 347.434 1.927 20 0 EDADLP CC(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000679102049 487392372 /nfs/dbraw/zinc/39/23/72/487392372.db2.gz SREQHPGVPGKXAA-OAHLLOKOSA-N 2 2 347.434 1.927 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(F)cn1 ZINC000679343899 487416187 /nfs/dbraw/zinc/41/61/87/487416187.db2.gz VACYTVNIIUEBDA-DLBZAZTESA-N 2 2 336.455 1.668 20 0 EDADLP C[C@@H]1C[NH+](CCCNc2nc(N3CCOCC3)cc[nH+]2)C[C@@H](C)O1 ZINC000675719887 487438534 /nfs/dbraw/zinc/43/85/34/487438534.db2.gz IZDGGDKDYZCXSO-HUUCEWRRSA-N 2 2 335.452 1.224 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C1 ZINC000675746065 487440537 /nfs/dbraw/zinc/44/05/37/487440537.db2.gz BNMOTEGTHZMSGR-WBVHZDCISA-N 2 2 339.505 1.693 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C1 ZINC000675746065 487440539 /nfs/dbraw/zinc/44/05/39/487440539.db2.gz BNMOTEGTHZMSGR-WBVHZDCISA-N 2 2 339.505 1.693 20 0 EDADLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(-n2cnnn2)c1 ZINC000675927541 487459521 /nfs/dbraw/zinc/45/95/21/487459521.db2.gz JIUVGUPNSNSTRY-XJKSGUPXSA-N 2 2 332.477 1.750 20 0 EDADLP CCN1CC[N@H+](CC2(CN3CC[NH+](CC)[C@H](C)C3)COC2)C[C@@H]1C ZINC000679854750 487468957 /nfs/dbraw/zinc/46/89/57/487468957.db2.gz GQJGTSJGYCWMHI-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[N@@H+](CC2(CN3CC[NH+](CC)[C@H](C)C3)COC2)C[C@@H]1C ZINC000679854750 487468959 /nfs/dbraw/zinc/46/89/59/487468959.db2.gz GQJGTSJGYCWMHI-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[NH+](CC2(CN3CC[N@H+](CC)[C@H](C)C3)COC2)C[C@@H]1C ZINC000679854750 487468961 /nfs/dbraw/zinc/46/89/61/487468961.db2.gz GQJGTSJGYCWMHI-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[NH+](CC2(CN3CC[N@@H+](CC)[C@H](C)C3)COC2)C[C@@H]1C ZINC000679854750 487468963 /nfs/dbraw/zinc/46/89/63/487468963.db2.gz GQJGTSJGYCWMHI-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[N@H+](CC2(CN3CC[NH+](CC)[C@@H](C)C3)COC2)C[C@H]1C ZINC000679854750 487468964 /nfs/dbraw/zinc/46/89/64/487468964.db2.gz GQJGTSJGYCWMHI-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[N@@H+](CC2(CN3CC[NH+](CC)[C@@H](C)C3)COC2)C[C@H]1C ZINC000679854750 487468966 /nfs/dbraw/zinc/46/89/66/487468966.db2.gz GQJGTSJGYCWMHI-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[NH+](CC2(CN3CC[N@H+](CC)[C@@H](C)C3)COC2)C[C@H]1C ZINC000679854750 487468968 /nfs/dbraw/zinc/46/89/68/487468968.db2.gz GQJGTSJGYCWMHI-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP CCN1CC[NH+](CC2(CN3CC[N@@H+](CC)[C@@H](C)C3)COC2)C[C@H]1C ZINC000679854750 487468970 /nfs/dbraw/zinc/46/89/70/487468970.db2.gz GQJGTSJGYCWMHI-HDICACEKSA-N 2 2 338.540 1.055 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000668992979 485530622 /nfs/dbraw/zinc/53/06/22/485530622.db2.gz RVOUOMDQTMNOEK-QLFBSQMISA-N 2 2 327.432 1.564 20 0 EDADLP CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669550077 485542534 /nfs/dbraw/zinc/54/25/34/485542534.db2.gz UGPGTOOBAPKYQN-MAZHCROVSA-N 2 2 338.427 1.186 20 0 EDADLP CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669550077 485542539 /nfs/dbraw/zinc/54/25/39/485542539.db2.gz UGPGTOOBAPKYQN-MAZHCROVSA-N 2 2 338.427 1.186 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669024565 485573446 /nfs/dbraw/zinc/57/34/46/485573446.db2.gz ZZMGENRYRIPIJV-HOTGVXAUSA-N 2 2 329.448 1.575 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669588791 485644698 /nfs/dbraw/zinc/64/46/98/485644698.db2.gz XJWIVQBGFAHDMO-RBSFLKMASA-N 2 2 331.464 1.688 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669588791 485644700 /nfs/dbraw/zinc/64/47/00/485644700.db2.gz XJWIVQBGFAHDMO-RBSFLKMASA-N 2 2 331.464 1.688 20 0 EDADLP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669100298 485654531 /nfs/dbraw/zinc/65/45/31/485654531.db2.gz CZXXCJQDMBTCRL-DOTOQJQBSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669100298 485654536 /nfs/dbraw/zinc/65/45/36/485654536.db2.gz CZXXCJQDMBTCRL-DOTOQJQBSA-N 2 2 331.460 1.486 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000344562238 485950835 /nfs/dbraw/zinc/95/08/35/485950835.db2.gz FRGHUIZKLXFVNG-AEFFLSMTSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1nnc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000668617214 485955248 /nfs/dbraw/zinc/95/52/48/485955248.db2.gz JARVSIKYGORBGM-AWEZNQCLSA-N 2 2 337.493 1.016 20 0 EDADLP Cc1nnc(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000668617214 485955253 /nfs/dbraw/zinc/95/52/53/485955253.db2.gz JARVSIKYGORBGM-AWEZNQCLSA-N 2 2 337.493 1.016 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C[NH3+])o3)CC2)oc1C ZINC000237723940 485999749 /nfs/dbraw/zinc/99/97/49/485999749.db2.gz RLZPCMDESZSHFQ-UHFFFAOYSA-N 2 2 346.431 1.985 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C1 ZINC000668739203 486108724 /nfs/dbraw/zinc/10/87/24/486108724.db2.gz KQBVNPSDOLULRI-MRXNPFEDSA-N 2 2 332.473 1.965 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C1 ZINC000668739203 486108729 /nfs/dbraw/zinc/10/87/29/486108729.db2.gz KQBVNPSDOLULRI-MRXNPFEDSA-N 2 2 332.473 1.965 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669461655 486215052 /nfs/dbraw/zinc/21/50/52/486215052.db2.gz FZXKIDGJXYCMND-IXDOHACOSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669461655 486215061 /nfs/dbraw/zinc/21/50/61/486215061.db2.gz FZXKIDGJXYCMND-IXDOHACOSA-N 2 2 338.496 1.128 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000669491415 486263705 /nfs/dbraw/zinc/26/37/05/486263705.db2.gz YCWXAMVXJWLOTM-CHWSQXEVSA-N 2 2 330.423 1.547 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000669491415 486263709 /nfs/dbraw/zinc/26/37/09/486263709.db2.gz YCWXAMVXJWLOTM-CHWSQXEVSA-N 2 2 330.423 1.547 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494902 486267215 /nfs/dbraw/zinc/26/72/15/486267215.db2.gz VARWMLZVPIOMGV-LZLYRXPVSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494902 486267217 /nfs/dbraw/zinc/26/72/17/486267217.db2.gz VARWMLZVPIOMGV-LZLYRXPVSA-N 2 2 346.475 1.279 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccccc1 ZINC000668873838 486285515 /nfs/dbraw/zinc/28/55/15/486285515.db2.gz CSYQTZHNVJZVRS-QAPCUYQASA-N 2 2 345.422 1.853 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCSCC1 ZINC000130814574 491011162 /nfs/dbraw/zinc/01/11/62/491011162.db2.gz LZHUDTMWVDOBCI-QGZVFWFLSA-N 2 2 347.528 1.811 20 0 EDADLP Cc1[nH+]cc(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1C ZINC000668468823 491174591 /nfs/dbraw/zinc/17/45/91/491174591.db2.gz ANONIGQABBJTOF-MOPGFXCFSA-N 2 2 326.444 1.814 20 0 EDADLP Cc1[nH+]cc(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1C ZINC000668468823 491174593 /nfs/dbraw/zinc/17/45/93/491174593.db2.gz ANONIGQABBJTOF-MOPGFXCFSA-N 2 2 326.444 1.814 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(C)[nH+]1 ZINC000190026061 534168638 /nfs/dbraw/zinc/16/86/38/534168638.db2.gz RUSIHLQGOPSZFY-HNNXBMFYSA-N 2 2 330.432 1.724 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H](C)[NH2+]1 ZINC000153233210 534415470 /nfs/dbraw/zinc/41/54/70/534415470.db2.gz NXCURYNUOGDBAA-HZPDHXFCSA-N 2 2 330.476 1.256 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2c[nH+]ccc2N(C)C)C[C@@H](C)O1 ZINC000183487919 534437278 /nfs/dbraw/zinc/43/72/78/534437278.db2.gz QMKGKFZSDKELSC-ZIAGYGMSSA-N 2 2 334.464 1.765 20 0 EDADLP CC(C)Cn1cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cn1 ZINC000261673231 534897587 /nfs/dbraw/zinc/89/75/87/534897587.db2.gz GZRJIZWOTPRAIJ-UHFFFAOYSA-N 2 2 343.479 1.613 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)nc1 ZINC000130671892 528228023 /nfs/dbraw/zinc/22/80/23/528228023.db2.gz BQAPMESGTDDTQB-UHFFFAOYSA-N 2 2 329.404 1.277 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000175861753 528582492 /nfs/dbraw/zinc/58/24/92/528582492.db2.gz VDCQFEGVNYHMGQ-MRXNPFEDSA-N 2 2 341.496 1.007 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000175861753 528582497 /nfs/dbraw/zinc/58/24/97/528582497.db2.gz VDCQFEGVNYHMGQ-MRXNPFEDSA-N 2 2 341.496 1.007 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@H](C)C1 ZINC000187018120 528663736 /nfs/dbraw/zinc/66/37/36/528663736.db2.gz QIDRUGHYDIYBHH-OWCLPIDISA-N 2 2 349.479 1.530 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@H](C)C1 ZINC000187018120 528663738 /nfs/dbraw/zinc/66/37/38/528663738.db2.gz QIDRUGHYDIYBHH-OWCLPIDISA-N 2 2 349.479 1.530 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1F ZINC000180909387 529202654 /nfs/dbraw/zinc/20/26/54/529202654.db2.gz IWUMPVHSEMMFGA-CRAIPNDOSA-N 2 2 349.450 1.800 20 0 EDADLP CCCCCN(CCO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340258877 535036052 /nfs/dbraw/zinc/03/60/52/535036052.db2.gz VPCUMJWCZOCJMB-UHFFFAOYSA-N 2 2 328.501 1.207 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000236822571 535044898 /nfs/dbraw/zinc/04/48/98/535044898.db2.gz LHUANFYAYRBOKM-LZWOXQAQSA-N 2 2 334.464 1.829 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246517317 535121897 /nfs/dbraw/zinc/12/18/97/535121897.db2.gz DFZRJZNECOZACK-DLBZAZTESA-N 2 2 349.479 1.414 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246517317 535121903 /nfs/dbraw/zinc/12/19/03/535121903.db2.gz DFZRJZNECOZACK-DLBZAZTESA-N 2 2 349.479 1.414 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000248419690 535445468 /nfs/dbraw/zinc/44/54/68/535445468.db2.gz LETBHVFBNIDSFU-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000248419690 535445473 /nfs/dbraw/zinc/44/54/73/535445473.db2.gz LETBHVFBNIDSFU-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000245720390 535509782 /nfs/dbraw/zinc/50/97/82/535509782.db2.gz UPFJKBQXNYGIMB-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC[C@H]2CCC[NH+]2C)C1 ZINC000245720390 535509787 /nfs/dbraw/zinc/50/97/87/535509787.db2.gz UPFJKBQXNYGIMB-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245720390 535509790 /nfs/dbraw/zinc/50/97/90/535509790.db2.gz UPFJKBQXNYGIMB-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[NH+](C)CC[C@H]2CCC[N@H+]2C)C1 ZINC000245720390 535509794 /nfs/dbraw/zinc/50/97/94/535509794.db2.gz UPFJKBQXNYGIMB-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000340047547 535564986 /nfs/dbraw/zinc/56/49/86/535564986.db2.gz MLNDKTOYOHRJHJ-UHFFFAOYSA-N 2 2 336.461 1.634 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3c(F)cccc3F)C2)CC1 ZINC000245948859 535733783 /nfs/dbraw/zinc/73/37/83/535733783.db2.gz XRQKJVQRKHYQLY-RHSMWYFYSA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)c3c(F)cccc3F)C2)CC1 ZINC000245948859 535733786 /nfs/dbraw/zinc/73/37/86/535733786.db2.gz XRQKJVQRKHYQLY-RHSMWYFYSA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000245909096 535735383 /nfs/dbraw/zinc/73/53/83/535735383.db2.gz ITNPXSRYLWCNGU-KURKYZTESA-N 2 2 336.524 1.393 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000245909096 535735387 /nfs/dbraw/zinc/73/53/87/535735387.db2.gz ITNPXSRYLWCNGU-KURKYZTESA-N 2 2 336.524 1.393 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)NCC[NH+]2CCOCC2)c1 ZINC000339411798 535912620 /nfs/dbraw/zinc/91/26/20/535912620.db2.gz VOUZKFTVNKLADE-UHFFFAOYSA-N 2 2 336.436 1.081 20 0 EDADLP C[NH+](C)CCSCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000339740735 535919853 /nfs/dbraw/zinc/91/98/53/535919853.db2.gz RPOFBARDYPDZNC-UHFFFAOYSA-N 2 2 327.519 1.687 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CC([NH3+])C1 ZINC000333622687 536046487 /nfs/dbraw/zinc/04/64/87/536046487.db2.gz RUXWCKWLIXQDQF-TUHYSUIHSA-N 2 2 338.402 1.841 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CC([NH3+])C1 ZINC000333622687 536046491 /nfs/dbraw/zinc/04/64/91/536046491.db2.gz RUXWCKWLIXQDQF-TUHYSUIHSA-N 2 2 338.402 1.841 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000347804363 536176265 /nfs/dbraw/zinc/17/62/65/536176265.db2.gz FGDASURBLJZKFP-FQEVSTJZSA-N 2 2 346.519 1.871 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000347804363 536176266 /nfs/dbraw/zinc/17/62/66/536176266.db2.gz FGDASURBLJZKFP-FQEVSTJZSA-N 2 2 346.519 1.871 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332655864 536370068 /nfs/dbraw/zinc/37/00/68/536370068.db2.gz NIWMYZDDWCPKPX-DYVFJYSZSA-N 2 2 325.453 1.003 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000332655864 536370071 /nfs/dbraw/zinc/37/00/71/536370071.db2.gz NIWMYZDDWCPKPX-DYVFJYSZSA-N 2 2 325.453 1.003 20 0 EDADLP C[N@H+](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000264851392 536380371 /nfs/dbraw/zinc/38/03/71/536380371.db2.gz LQERJPIUHCZXQL-GOSISDBHSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000264851392 536380377 /nfs/dbraw/zinc/38/03/77/536380377.db2.gz LQERJPIUHCZXQL-GOSISDBHSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000123761924 536405914 /nfs/dbraw/zinc/40/59/14/536405914.db2.gz HBPZLDJCCOYEBA-KRWDZBQOSA-N 2 2 327.432 1.972 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000123761924 536405917 /nfs/dbraw/zinc/40/59/17/536405917.db2.gz HBPZLDJCCOYEBA-KRWDZBQOSA-N 2 2 327.432 1.972 20 0 EDADLP COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271698863 536889818 /nfs/dbraw/zinc/88/98/18/536889818.db2.gz CGVHHDYGPCTIGK-CABCVRRESA-N 2 2 330.432 1.697 20 0 EDADLP COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000271698863 536889821 /nfs/dbraw/zinc/88/98/21/536889821.db2.gz CGVHHDYGPCTIGK-CABCVRRESA-N 2 2 330.432 1.697 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc[nH+]c2N2CCCCC2)C1 ZINC000742249167 579445480 /nfs/dbraw/zinc/44/54/80/579445480.db2.gz QGERWIJQMQQSOR-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc[nH+]c2N2CCCCC2)C1 ZINC000742249167 579445481 /nfs/dbraw/zinc/44/54/81/579445481.db2.gz QGERWIJQMQQSOR-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP C[C@H]1C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]1c1ccccc1 ZINC000743395437 579478901 /nfs/dbraw/zinc/47/89/01/579478901.db2.gz RWFNGHVENUOLFY-GOEBONIOSA-N 2 2 342.443 1.653 20 0 EDADLP C[C@H]1C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]1c1ccccc1 ZINC000743395437 579478903 /nfs/dbraw/zinc/47/89/03/579478903.db2.gz RWFNGHVENUOLFY-GOEBONIOSA-N 2 2 342.443 1.653 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000726259724 578340521 /nfs/dbraw/zinc/34/05/21/578340521.db2.gz UCYVQKSLVOSVAM-YYIAUSFCSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000726259724 578340522 /nfs/dbraw/zinc/34/05/22/578340522.db2.gz UCYVQKSLVOSVAM-YYIAUSFCSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726259724 578340523 /nfs/dbraw/zinc/34/05/23/578340523.db2.gz UCYVQKSLVOSVAM-YYIAUSFCSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726259724 578340524 /nfs/dbraw/zinc/34/05/24/578340524.db2.gz UCYVQKSLVOSVAM-YYIAUSFCSA-N 2 2 340.512 1.373 20 0 EDADLP CON(C)C(=O)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000788021500 578553792 /nfs/dbraw/zinc/55/37/92/578553792.db2.gz DWAWFWDNJJFKCB-UHFFFAOYSA-N 2 2 334.464 1.430 20 0 EDADLP CON(C)C(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000788021500 578553793 /nfs/dbraw/zinc/55/37/93/578553793.db2.gz DWAWFWDNJJFKCB-UHFFFAOYSA-N 2 2 334.464 1.430 20 0 EDADLP C[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000729647440 578586392 /nfs/dbraw/zinc/58/63/92/578586392.db2.gz PGJCIKOKLGTISM-KBPBESRZSA-N 2 2 330.542 1.148 20 0 EDADLP CC1(C)SC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000753989580 578649769 /nfs/dbraw/zinc/64/97/69/578649769.db2.gz BIQGEYPWKASGTM-UHFFFAOYSA-N 2 2 341.477 1.462 20 0 EDADLP C[NH+](C)[C@H]1Cc2ccccc2N(C(=S)NCC[NH+]2CCOCC2)C1 ZINC000731490553 578675330 /nfs/dbraw/zinc/67/53/30/578675330.db2.gz MYYHFHSNKOABRI-INIZCTEOSA-N 2 2 348.516 1.186 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nonc3C)CC2)CC1 ZINC000734148682 578798979 /nfs/dbraw/zinc/79/89/79/578798979.db2.gz GTUCFTJZFNCOCG-UHFFFAOYSA-N 2 2 335.452 1.144 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734262715 578805224 /nfs/dbraw/zinc/80/52/24/578805224.db2.gz ASWOABVYVAUEKD-INIZCTEOSA-N 2 2 347.463 1.436 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(NCC2([NH+](C)C)CCOCC2)[nH+]1 ZINC000737241533 579059256 /nfs/dbraw/zinc/05/92/56/579059256.db2.gz ROWJNHFAJSWTAW-UHFFFAOYSA-N 2 2 331.424 1.401 20 0 EDADLP CCOc1ccc(-c2nnn(C[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1 ZINC000738070055 579156825 /nfs/dbraw/zinc/15/68/25/579156825.db2.gz AGFUDQOANPFFHR-UHFFFAOYSA-N 2 2 344.463 1.970 20 0 EDADLP Nc1cccc2c1C(=O)N(C[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)C2=O ZINC000738156838 579165928 /nfs/dbraw/zinc/16/59/28/579165928.db2.gz FSVKJXMSMQIQTR-GFCCVEGCSA-N 2 2 325.372 1.356 20 0 EDADLP Nc1cccc2c1C(=O)N(C[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)C2=O ZINC000738156838 579165930 /nfs/dbraw/zinc/16/59/30/579165930.db2.gz FSVKJXMSMQIQTR-GFCCVEGCSA-N 2 2 325.372 1.356 20 0 EDADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000752831389 579866662 /nfs/dbraw/zinc/86/66/62/579866662.db2.gz JTLREILKVBQFFZ-VYDXJSESSA-N 2 2 345.491 1.221 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)CC2)S1 ZINC000758019409 579974654 /nfs/dbraw/zinc/97/46/54/579974654.db2.gz ARBYWWDTJWDFMW-OLZOCXBDSA-N 2 2 342.534 1.059 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)S1 ZINC000758019409 579974655 /nfs/dbraw/zinc/97/46/55/579974655.db2.gz ARBYWWDTJWDFMW-OLZOCXBDSA-N 2 2 342.534 1.059 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C(=O)c3cccc(N)c3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000759158602 579999846 /nfs/dbraw/zinc/99/98/46/579999846.db2.gz MOYDSQYRCUUCPL-IUODEOHRSA-N 2 2 339.399 1.602 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C(=O)c3cccc(N)c3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000759158602 579999847 /nfs/dbraw/zinc/99/98/47/579999847.db2.gz MOYDSQYRCUUCPL-IUODEOHRSA-N 2 2 339.399 1.602 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCSC1 ZINC000763507493 580101157 /nfs/dbraw/zinc/10/11/57/580101157.db2.gz DKTOYQXQTSZDPC-CQSZACIVSA-N 2 2 331.445 1.321 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCSC1 ZINC000763507493 580101158 /nfs/dbraw/zinc/10/11/58/580101158.db2.gz DKTOYQXQTSZDPC-CQSZACIVSA-N 2 2 331.445 1.321 20 0 EDADLP Cc1noc(CCC[NH2+][C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000763548917 580101690 /nfs/dbraw/zinc/10/16/90/580101690.db2.gz QYVMLLLSBHGQOX-IBGZPJMESA-N 2 2 344.459 1.927 20 0 EDADLP Cc1noc(CCC[NH2+][C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000763548917 580101691 /nfs/dbraw/zinc/10/16/91/580101691.db2.gz QYVMLLLSBHGQOX-IBGZPJMESA-N 2 2 344.459 1.927 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OCCCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000763690749 580104267 /nfs/dbraw/zinc/10/42/67/580104267.db2.gz FSDQXMIDWKCOIR-HZPDHXFCSA-N 2 2 340.464 1.822 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OCCCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000763690749 580104268 /nfs/dbraw/zinc/10/42/68/580104268.db2.gz FSDQXMIDWKCOIR-HZPDHXFCSA-N 2 2 340.464 1.822 20 0 EDADLP c1nc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000764781027 580128663 /nfs/dbraw/zinc/12/86/63/580128663.db2.gz VBODHSDHIFEWFM-INIZCTEOSA-N 2 2 347.463 1.369 20 0 EDADLP c1nc(N2CCOCC2)cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]1 ZINC000764781027 580128664 /nfs/dbraw/zinc/12/86/64/580128664.db2.gz VBODHSDHIFEWFM-INIZCTEOSA-N 2 2 347.463 1.369 20 0 EDADLP CSCC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771767201 580293216 /nfs/dbraw/zinc/29/32/16/580293216.db2.gz LAPOPXBPRCRNOW-ZBFHGGJFSA-N 2 2 342.553 1.938 20 0 EDADLP CSCC[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771767201 580293217 /nfs/dbraw/zinc/29/32/17/580293217.db2.gz LAPOPXBPRCRNOW-ZBFHGGJFSA-N 2 2 342.553 1.938 20 0 EDADLP CN(C(=O)NCCOC1CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771768093 580293252 /nfs/dbraw/zinc/29/32/52/580293252.db2.gz OODWOBIEVWJTSK-INIZCTEOSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NCCOC1CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771768093 580293253 /nfs/dbraw/zinc/29/32/53/580293253.db2.gz OODWOBIEVWJTSK-INIZCTEOSA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NOC1CCCCC1 ZINC000779681300 580494572 /nfs/dbraw/zinc/49/45/72/580494572.db2.gz BRFDWIJBSCPMOM-UHFFFAOYSA-N 2 2 326.485 1.918 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NOC1CCCCC1 ZINC000779681300 580494573 /nfs/dbraw/zinc/49/45/73/580494573.db2.gz BRFDWIJBSCPMOM-UHFFFAOYSA-N 2 2 326.485 1.918 20 0 EDADLP CCO[C@@H]1C[C@H]([N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1(C)C ZINC000783993074 580610975 /nfs/dbraw/zinc/61/09/75/580610975.db2.gz KTJMZQMDTUQOST-VNQPRFMTSA-N 2 2 334.464 1.829 20 0 EDADLP CCO[C@@H]1C[C@H]([N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1(C)C ZINC000783993074 580610976 /nfs/dbraw/zinc/61/09/76/580610976.db2.gz KTJMZQMDTUQOST-VNQPRFMTSA-N 2 2 334.464 1.829 20 0 EDADLP Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4[nH]cc[nH+]4)CC3)C2=O)cc1 ZINC000788005339 580713010 /nfs/dbraw/zinc/71/30/10/580713010.db2.gz XEHXEEBWHZJMER-MRXNPFEDSA-N 2 2 325.416 1.646 20 0 EDADLP C[NH+](C)C1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788476031 580722380 /nfs/dbraw/zinc/72/23/80/580722380.db2.gz WOLMKDLQMUAVCR-UHFFFAOYSA-N 2 2 340.512 1.565 20 0 EDADLP C[NH+](C)C1CC[NH+](CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788476031 580722381 /nfs/dbraw/zinc/72/23/81/580722381.db2.gz WOLMKDLQMUAVCR-UHFFFAOYSA-N 2 2 340.512 1.565 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000796303147 580950410 /nfs/dbraw/zinc/95/04/10/580950410.db2.gz HKKDTFBOWCTWIZ-AWEZNQCLSA-N 3 2 337.537 1.463 20 0 EDADLP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC4OCCO4)CC3)C2)cc1 ZINC000796386823 580952719 /nfs/dbraw/zinc/95/27/19/580952719.db2.gz ZLTOQNLMLYKRNG-SFHVURJKSA-N 2 2 331.460 1.251 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC4OCCO4)CC3)C2)cc1 ZINC000796386823 580952720 /nfs/dbraw/zinc/95/27/20/580952720.db2.gz ZLTOQNLMLYKRNG-SFHVURJKSA-N 2 2 331.460 1.251 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000798144028 580988312 /nfs/dbraw/zinc/98/83/12/580988312.db2.gz SMWPACAIIBKYTE-HNNXBMFYSA-N 2 2 331.420 1.090 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000799137316 581018233 /nfs/dbraw/zinc/01/82/33/581018233.db2.gz WARMLPGQYDKWGB-SIXWZSSISA-N 2 2 348.491 1.717 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000799137316 581018234 /nfs/dbraw/zinc/01/82/34/581018234.db2.gz WARMLPGQYDKWGB-SIXWZSSISA-N 2 2 348.491 1.717 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000799137316 581018235 /nfs/dbraw/zinc/01/82/35/581018235.db2.gz WARMLPGQYDKWGB-SIXWZSSISA-N 2 2 348.491 1.717 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000799137316 581018236 /nfs/dbraw/zinc/01/82/36/581018236.db2.gz WARMLPGQYDKWGB-SIXWZSSISA-N 2 2 348.491 1.717 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)c3ccc(F)cn3)CC2)c1 ZINC000799302021 581024653 /nfs/dbraw/zinc/02/46/53/581024653.db2.gz YHXDDTNNMCAEDC-INIZCTEOSA-N 2 2 332.379 1.480 20 0 EDADLP CC[C@H](CO)Nc1cc(NC[C@@H](C)N2CC[NH+](CC)CC2)nc[nH+]1 ZINC000891829633 590640608 /nfs/dbraw/zinc/64/06/08/590640608.db2.gz OPDGBMFOEQEXEL-HUUCEWRRSA-N 2 2 336.484 1.097 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891858815 590658941 /nfs/dbraw/zinc/65/89/41/590658941.db2.gz WFQPUUXUUIPYOA-QGZVFWFLSA-N 2 2 336.480 1.026 20 0 EDADLP CN(C)c1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000893119978 590671751 /nfs/dbraw/zinc/67/17/51/590671751.db2.gz XONJWIZXCABSEG-INIZCTEOSA-N 2 2 327.432 1.721 20 0 EDADLP CN(C)c1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000893119978 590671752 /nfs/dbraw/zinc/67/17/52/590671752.db2.gz XONJWIZXCABSEG-INIZCTEOSA-N 2 2 327.432 1.721 20 0 EDADLP CN(C)c1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[nH+]cn1 ZINC000893119978 590671753 /nfs/dbraw/zinc/67/17/53/590671753.db2.gz XONJWIZXCABSEG-INIZCTEOSA-N 2 2 327.432 1.721 20 0 EDADLP CN(C)c1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[nH+]cn1 ZINC000893119978 590671755 /nfs/dbraw/zinc/67/17/55/590671755.db2.gz XONJWIZXCABSEG-INIZCTEOSA-N 2 2 327.432 1.721 20 0 EDADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N[C@H]1CC[NH2+]C1 ZINC000892001752 590737932 /nfs/dbraw/zinc/73/79/32/590737932.db2.gz IWYIGHRYGPKBDT-KRWDZBQOSA-N 2 2 339.443 1.749 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]3CCC[NH2+]3)C2)c1 ZINC000892004802 590739637 /nfs/dbraw/zinc/73/96/37/590739637.db2.gz HYAHFUUTLPUTFT-ZWKOTPCHSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]3CCC[NH2+]3)C2)c1 ZINC000892004802 590739640 /nfs/dbraw/zinc/73/96/40/590739640.db2.gz HYAHFUUTLPUTFT-ZWKOTPCHSA-N 2 2 346.475 1.247 20 0 EDADLP CCCSC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000893355442 590800416 /nfs/dbraw/zinc/80/04/16/590800416.db2.gz ZELHKOPQTCESNM-GJZGRUSLSA-N 2 2 329.510 1.041 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)C(F)F ZINC000892149435 590822451 /nfs/dbraw/zinc/82/24/51/590822451.db2.gz BAQQDIMYBYKTKB-ZIAGYGMSSA-N 2 2 337.374 1.906 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C[NH2+]1 ZINC000892292329 590919453 /nfs/dbraw/zinc/91/94/53/590919453.db2.gz PAQNWPTXQVYABT-HIFRSBDPSA-N 2 2 349.504 1.575 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)nc[nH+]1 ZINC000893531843 590927094 /nfs/dbraw/zinc/92/70/94/590927094.db2.gz OAAAADYWKXRYRI-KBPBESRZSA-N 2 2 330.436 1.777 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)[C@@H]2C1 ZINC000892310750 590934920 /nfs/dbraw/zinc/93/49/20/590934920.db2.gz OZCMQLIHEUHXJN-WMLDXEAASA-N 2 2 343.406 1.857 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)[C@@H]2C1 ZINC000892310750 590934924 /nfs/dbraw/zinc/93/49/24/590934924.db2.gz OZCMQLIHEUHXJN-WMLDXEAASA-N 2 2 343.406 1.857 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000892439796 591028419 /nfs/dbraw/zinc/02/84/19/591028419.db2.gz ZTRBNTMKGCRZCR-ZWKOTPCHSA-N 2 2 328.460 1.880 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000892439796 591028423 /nfs/dbraw/zinc/02/84/23/591028423.db2.gz ZTRBNTMKGCRZCR-ZWKOTPCHSA-N 2 2 328.460 1.880 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891344845 591051843 /nfs/dbraw/zinc/05/18/43/591051843.db2.gz OOCMKKJNPAKZGH-HUUCEWRRSA-N 2 2 326.404 1.303 20 0 EDADLP [NH3+]CC1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000892514232 591054743 /nfs/dbraw/zinc/05/47/43/591054743.db2.gz ZNEGFDOTRNEOFU-UHFFFAOYSA-N 2 2 349.504 1.515 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[NH2+]Cc1ccc(-n3cc[nH+]c3)nc1)OCCO2 ZINC000892530879 591061709 /nfs/dbraw/zinc/06/17/09/591061709.db2.gz ADXLMTJRYIIUNX-CABCVRRESA-N 2 2 332.379 1.991 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCO1 ZINC000891470672 591084268 /nfs/dbraw/zinc/08/42/68/591084268.db2.gz FVXZDKGAZXKMPP-QGZVFWFLSA-N 2 2 346.475 1.111 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCO1 ZINC000891470672 591084272 /nfs/dbraw/zinc/08/42/72/591084272.db2.gz FVXZDKGAZXKMPP-QGZVFWFLSA-N 2 2 346.475 1.111 20 0 EDADLP CCn1cc(C[NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)nn1 ZINC000892596444 591087039 /nfs/dbraw/zinc/08/70/39/591087039.db2.gz IYHLBGQVNPJXIK-UHFFFAOYSA-N 2 2 342.491 1.725 20 0 EDADLP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000892612218 591096112 /nfs/dbraw/zinc/09/61/12/591096112.db2.gz TWZSWJAWRLYVPO-KRWDZBQOSA-N 2 2 334.464 1.186 20 0 EDADLP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000892612218 591096117 /nfs/dbraw/zinc/09/61/17/591096117.db2.gz TWZSWJAWRLYVPO-KRWDZBQOSA-N 2 2 334.464 1.186 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000892615759 591097605 /nfs/dbraw/zinc/09/76/05/591097605.db2.gz QIOSVNQECPWMNK-HKUYNNGSSA-N 2 2 328.460 1.958 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000892615759 591097608 /nfs/dbraw/zinc/09/76/08/591097608.db2.gz QIOSVNQECPWMNK-HKUYNNGSSA-N 2 2 328.460 1.958 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCc2cn(C)c[nH+]2)[NH+]2CCCC2)o1 ZINC000892625625 591102141 /nfs/dbraw/zinc/10/21/41/591102141.db2.gz FNZLLCCYIULAHV-OAHLLOKOSA-N 2 2 331.420 1.958 20 0 EDADLP C[C@H](NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000891519164 591104548 /nfs/dbraw/zinc/10/45/48/591104548.db2.gz XQIAMLABUQRHDQ-XYJFISCASA-N 2 2 348.491 1.355 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(Cc2ccoc2)C2CC2)CC1 ZINC000893865654 591120246 /nfs/dbraw/zinc/12/02/46/591120246.db2.gz IEMAFTFXCKQJNN-UHFFFAOYSA-N 2 2 334.464 1.980 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1F ZINC000891565755 591128801 /nfs/dbraw/zinc/12/88/01/591128801.db2.gz QLBPGDNFQDXEDN-ZOWXZIJZSA-N 2 2 338.402 1.713 20 0 EDADLP COC[C@H](C)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892733911 591152296 /nfs/dbraw/zinc/15/22/96/591152296.db2.gz XVWLNJWKIZUUII-CQSZACIVSA-N 2 2 329.485 1.848 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4oc(=O)oc4c3)CC2)C1 ZINC000894013727 591170510 /nfs/dbraw/zinc/17/05/10/591170510.db2.gz FFCLINUFFADFOM-OAHLLOKOSA-N 2 2 331.416 1.598 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4oc(=O)oc4c3)CC2)C1 ZINC000894013727 591170511 /nfs/dbraw/zinc/17/05/11/591170511.db2.gz FFCLINUFFADFOM-OAHLLOKOSA-N 2 2 331.416 1.598 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1C(F)(F)F ZINC000891682527 591182728 /nfs/dbraw/zinc/18/27/28/591182728.db2.gz WPFPSQLGQQEHBD-NEPJUHHUSA-N 2 2 341.337 1.613 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000891706114 591193733 /nfs/dbraw/zinc/19/37/33/591193733.db2.gz ZBXAWJYCHHWDBN-LSDHHAIUSA-N 2 2 326.404 1.113 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000891706114 591193734 /nfs/dbraw/zinc/19/37/34/591193734.db2.gz ZBXAWJYCHHWDBN-LSDHHAIUSA-N 2 2 326.404 1.113 20 0 EDADLP CCc1cc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)nc(CC)[nH+]1 ZINC000891707994 591194451 /nfs/dbraw/zinc/19/44/51/591194451.db2.gz BVDGVABSZWHUGA-UHFFFAOYSA-N 2 2 347.507 1.982 20 0 EDADLP CCc1cc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)nc(CC)[nH+]1 ZINC000891707994 591194453 /nfs/dbraw/zinc/19/44/53/591194453.db2.gz BVDGVABSZWHUGA-UHFFFAOYSA-N 2 2 347.507 1.982 20 0 EDADLP C[NH+](C)CC(=O)N1CCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)CC1 ZINC000891765150 591217477 /nfs/dbraw/zinc/21/74/77/591217477.db2.gz RCWXBRKVRANLFB-UHFFFAOYSA-N 2 2 341.459 1.652 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cs1 ZINC000894241767 591241875 /nfs/dbraw/zinc/24/18/75/591241875.db2.gz BRKYZJBKWXIVRI-ZDUSSCGKSA-N 2 2 339.461 1.212 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cs1 ZINC000894241767 591241876 /nfs/dbraw/zinc/24/18/76/591241876.db2.gz BRKYZJBKWXIVRI-ZDUSSCGKSA-N 2 2 339.461 1.212 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[NH+]4C)C2)CC1 ZINC000893025265 591258350 /nfs/dbraw/zinc/25/83/50/591258350.db2.gz YZHMRXSIIXOERU-RYQLBKOJSA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[NH+]4C)C2)CC1 ZINC000893025265 591258351 /nfs/dbraw/zinc/25/83/51/591258351.db2.gz YZHMRXSIIXOERU-RYQLBKOJSA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)C2)CC1 ZINC000893025265 591258353 /nfs/dbraw/zinc/25/83/53/591258353.db2.gz YZHMRXSIIXOERU-RYQLBKOJSA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)C2)CC1 ZINC000893025265 591258355 /nfs/dbraw/zinc/25/83/55/591258355.db2.gz YZHMRXSIIXOERU-RYQLBKOJSA-N 3 2 349.523 1.033 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1C ZINC000895981798 591317557 /nfs/dbraw/zinc/31/75/57/591317557.db2.gz UKRSFJJNRDIUTD-OAHLLOKOSA-N 2 2 333.432 1.386 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)[nH]c1C(C)C ZINC000894468755 591320234 /nfs/dbraw/zinc/32/02/34/591320234.db2.gz CIBHBICWMSWCQS-UHFFFAOYSA-N 2 2 337.464 1.861 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cnc1F ZINC000896030316 591327401 /nfs/dbraw/zinc/32/74/01/591327401.db2.gz IVXGYIMAHUZFFM-KRWDZBQOSA-N 2 2 336.455 1.415 20 0 EDADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000897366985 591342671 /nfs/dbraw/zinc/34/26/71/591342671.db2.gz WQYLYJFTJJEPMS-SFHVURJKSA-N 2 2 346.475 1.623 20 0 EDADLP CCO[C@@H](CNc1cc(N2CCSCC2)nc[nH+]1)C[NH+](C)C ZINC000896115956 591349571 /nfs/dbraw/zinc/34/95/71/591349571.db2.gz CQXDFXVLKCAWIC-ZDUSSCGKSA-N 2 2 325.482 1.408 20 0 EDADLP CCO[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)C[NH+](C)C ZINC000896115956 591349575 /nfs/dbraw/zinc/34/95/75/591349575.db2.gz CQXDFXVLKCAWIC-ZDUSSCGKSA-N 2 2 325.482 1.408 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898592573 591427047 /nfs/dbraw/zinc/42/70/47/591427047.db2.gz NLUWPODLGFVCFU-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898592573 591427048 /nfs/dbraw/zinc/42/70/48/591427048.db2.gz NLUWPODLGFVCFU-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)Cc2ccccc21 ZINC000726957162 591465014 /nfs/dbraw/zinc/46/50/14/591465014.db2.gz KPFDMMZQNAJIQI-INIZCTEOSA-N 2 2 345.487 1.833 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)Cc2ccccc21 ZINC000726957162 591465016 /nfs/dbraw/zinc/46/50/16/591465016.db2.gz KPFDMMZQNAJIQI-INIZCTEOSA-N 2 2 345.487 1.833 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000898668811 591466630 /nfs/dbraw/zinc/46/66/30/591466630.db2.gz KOFXKGCZCAEPIP-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000898668811 591466633 /nfs/dbraw/zinc/46/66/33/591466633.db2.gz KOFXKGCZCAEPIP-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[NH+]1CCC1)c1ccc(F)c(F)c1 ZINC000898743802 591497308 /nfs/dbraw/zinc/49/73/08/591497308.db2.gz RJZAQDQGROKANK-HNNXBMFYSA-N 2 2 349.385 1.793 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1 ZINC000896546556 591508919 /nfs/dbraw/zinc/50/89/19/591508919.db2.gz XFNGDAYAQDQBDR-QFBILLFUSA-N 2 2 346.519 1.893 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000896546556 591508921 /nfs/dbraw/zinc/50/89/21/591508921.db2.gz XFNGDAYAQDQBDR-QFBILLFUSA-N 2 2 346.519 1.893 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000898895474 591590117 /nfs/dbraw/zinc/59/01/17/591590117.db2.gz OXBAZTCLPTWVTD-INIZCTEOSA-N 2 2 328.416 1.479 20 0 EDADLP COc1cc(C[NH+](C)C)ccc1NC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000909465700 591612995 /nfs/dbraw/zinc/61/29/95/591612995.db2.gz BPYOXTZWORWZLS-PTNGSMBKSA-N 2 2 347.459 1.974 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000898963045 591618432 /nfs/dbraw/zinc/61/84/32/591618432.db2.gz WPVFJWCYWLQQQI-OAHLLOKOSA-N 2 2 345.447 1.289 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000898976849 591619516 /nfs/dbraw/zinc/61/95/16/591619516.db2.gz BQMXNQQFUHCRCI-BZUAXINKSA-N 2 2 335.492 1.619 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000898976849 591619519 /nfs/dbraw/zinc/61/95/19/591619519.db2.gz BQMXNQQFUHCRCI-BZUAXINKSA-N 2 2 335.492 1.619 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H]1c1ccccc1 ZINC000896964612 591696607 /nfs/dbraw/zinc/69/66/07/591696607.db2.gz WBHNMJUPPMIAAE-QYZOEREBSA-N 2 2 343.471 1.613 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H]1c1ccccc1 ZINC000896964612 591696610 /nfs/dbraw/zinc/69/66/10/591696610.db2.gz WBHNMJUPPMIAAE-QYZOEREBSA-N 2 2 343.471 1.613 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)[nH]n1 ZINC000899140895 591700918 /nfs/dbraw/zinc/70/09/18/591700918.db2.gz DXRVLXCKDHTETA-YOEHRIQHSA-N 2 2 331.464 1.923 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)[nH]n1 ZINC000899140895 591700920 /nfs/dbraw/zinc/70/09/20/591700920.db2.gz DXRVLXCKDHTETA-YOEHRIQHSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)[nH]n1 ZINC000899140895 591700923 /nfs/dbraw/zinc/70/09/23/591700923.db2.gz DXRVLXCKDHTETA-YOEHRIQHSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)[nH]n1 ZINC000899140895 591700926 /nfs/dbraw/zinc/70/09/26/591700926.db2.gz DXRVLXCKDHTETA-YOEHRIQHSA-N 2 2 331.464 1.923 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)ccc21 ZINC000897876646 591702910 /nfs/dbraw/zinc/70/29/10/591702910.db2.gz PZESDDJOYNLRNC-INIZCTEOSA-N 2 2 340.427 1.960 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163772 591712517 /nfs/dbraw/zinc/71/25/17/591712517.db2.gz JQQIFLHDAJJYNF-BZUAXINKSA-N 2 2 330.432 1.112 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163772 591712522 /nfs/dbraw/zinc/71/25/22/591712522.db2.gz JQQIFLHDAJJYNF-BZUAXINKSA-N 2 2 330.432 1.112 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163800 591712677 /nfs/dbraw/zinc/71/26/77/591712677.db2.gz JQQIFLHDAJJYNF-XHSDSOJGSA-N 2 2 330.432 1.112 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)Cc3ccc[nH+]c3N2C1 ZINC000899163800 591712682 /nfs/dbraw/zinc/71/26/82/591712682.db2.gz JQQIFLHDAJJYNF-XHSDSOJGSA-N 2 2 330.432 1.112 20 0 EDADLP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000897986609 591750963 /nfs/dbraw/zinc/75/09/63/591750963.db2.gz DUYCVROQHNHKIN-LBPRGKRZSA-N 2 2 349.460 1.813 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCOC3CCOCC3)c12 ZINC000899262150 591753148 /nfs/dbraw/zinc/75/31/48/591753148.db2.gz QVEXRQSBFDBAFA-UHFFFAOYSA-N 2 2 340.387 1.818 20 0 EDADLP COCC[NH+](CCOC)C1CN(C(=O)c2ccn3cc(C)[nH+]c3c2)C1 ZINC000898251270 591837020 /nfs/dbraw/zinc/83/70/20/591837020.db2.gz RQGQCZHIITVWEZ-UHFFFAOYSA-N 2 2 346.431 1.062 20 0 EDADLP COCC[C@@H]1CCN(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1=O ZINC000902196860 591943211 /nfs/dbraw/zinc/94/32/11/591943211.db2.gz TUGRYAGILRSOMD-MWDXBVQZSA-N 2 2 339.480 1.012 20 0 EDADLP COCC[C@@H]1CCN(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1=O ZINC000902196860 591943214 /nfs/dbraw/zinc/94/32/14/591943214.db2.gz TUGRYAGILRSOMD-MWDXBVQZSA-N 2 2 339.480 1.012 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000900338873 591989112 /nfs/dbraw/zinc/98/91/12/591989112.db2.gz KRSPUSAKXRWDDF-UHFFFAOYSA-N 3 2 340.431 1.831 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@]34CCC[C@H]3[NH2+]CC4)[nH+]cn2)C1 ZINC000900358469 591994011 /nfs/dbraw/zinc/99/40/11/591994011.db2.gz ULPMEZIFUQVLSM-OIPACUDHSA-N 2 2 331.464 1.628 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@]34CCC[C@H]3[NH2+]CC4)nc[nH+]2)C1 ZINC000900358469 591994013 /nfs/dbraw/zinc/99/40/13/591994013.db2.gz ULPMEZIFUQVLSM-OIPACUDHSA-N 2 2 331.464 1.628 20 0 EDADLP Cc1ccc(NC(=O)c2ccc(N3CC[NH2+]CC[NH2+]CC3)nc2)cc1 ZINC000900369805 591998643 /nfs/dbraw/zinc/99/86/43/591998643.db2.gz LWEWZGHJTPNQDP-UHFFFAOYSA-N 2 2 339.443 1.642 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC([C@H]3CCC[NH2+]CC3)CC2)[nH+]1 ZINC000900383194 592002406 /nfs/dbraw/zinc/00/24/06/592002406.db2.gz ZRWQHDXJTKVAMC-INIZCTEOSA-N 2 2 345.491 1.919 20 0 EDADLP c1nc(N2CCC([C@H]3CCC[NH2+]CC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000900383194 592002409 /nfs/dbraw/zinc/00/24/09/592002409.db2.gz ZRWQHDXJTKVAMC-INIZCTEOSA-N 2 2 345.491 1.919 20 0 EDADLP CCc1noc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000902692868 592047298 /nfs/dbraw/zinc/04/72/98/592047298.db2.gz DRIGJHUQVKEWBW-UHFFFAOYSA-N 2 2 335.452 1.264 20 0 EDADLP CCc1noc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000902692868 592047301 /nfs/dbraw/zinc/04/73/01/592047301.db2.gz DRIGJHUQVKEWBW-UHFFFAOYSA-N 2 2 335.452 1.264 20 0 EDADLP O=C(CNc1cccc[nH+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000900590171 592061511 /nfs/dbraw/zinc/06/15/11/592061511.db2.gz CRKOZCICVUIWKI-QGZVFWFLSA-N 2 2 340.427 1.371 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC(F)(F)C(F)F)C2)CC1 ZINC000900675046 592091093 /nfs/dbraw/zinc/09/10/93/592091093.db2.gz OTJVRTSDTOLRFA-SNVBAGLBSA-N 2 2 325.350 1.562 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC(F)(F)C(F)F)C2)CC1 ZINC000900675046 592091095 /nfs/dbraw/zinc/09/10/95/592091095.db2.gz OTJVRTSDTOLRFA-SNVBAGLBSA-N 2 2 325.350 1.562 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2 ZINC000900776279 592120579 /nfs/dbraw/zinc/12/05/79/592120579.db2.gz FWZUFLLFDAFYFC-UHFFFAOYSA-N 2 2 346.475 1.733 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCN2Cc3ccccc3OCC2=O)C[N@@H+]1C1CC1 ZINC000903182449 592131771 /nfs/dbraw/zinc/13/17/71/592131771.db2.gz QYQKFXWAMRHHSE-GDBMZVCRSA-N 2 2 329.444 1.622 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCN2Cc3ccccc3OCC2=O)C[N@H+]1C1CC1 ZINC000903182449 592131775 /nfs/dbraw/zinc/13/17/75/592131775.db2.gz QYQKFXWAMRHHSE-GDBMZVCRSA-N 2 2 329.444 1.622 20 0 EDADLP C/C(=C\C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000900851420 592147253 /nfs/dbraw/zinc/14/72/53/592147253.db2.gz BWJHZJXSLPRFBD-VJSYINPZSA-N 2 2 335.492 1.599 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000903468231 592174771 /nfs/dbraw/zinc/17/47/71/592174771.db2.gz IQRMGSVPBPXAKM-YSVLISHTSA-N 2 2 329.444 1.889 20 0 EDADLP COCc1ccc(CNC(=O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903486045 592177024 /nfs/dbraw/zinc/17/70/24/592177024.db2.gz RRRSHNGQBGMDRY-KRWDZBQOSA-N 2 2 331.460 1.714 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900982998 592189706 /nfs/dbraw/zinc/18/97/06/592189706.db2.gz HHEYIIASEVXJFY-JRTWBMNRSA-N 2 2 335.492 1.740 20 0 EDADLP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900982998 592189708 /nfs/dbraw/zinc/18/97/08/592189708.db2.gz HHEYIIASEVXJFY-JRTWBMNRSA-N 2 2 335.492 1.740 20 0 EDADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC000904342333 592234222 /nfs/dbraw/zinc/23/42/22/592234222.db2.gz DJKDHPAAQPLWFK-SCDSUCTJSA-N 2 2 343.349 1.795 20 0 EDADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC000904342333 592234227 /nfs/dbraw/zinc/23/42/27/592234227.db2.gz DJKDHPAAQPLWFK-SCDSUCTJSA-N 2 2 343.349 1.795 20 0 EDADLP OCC1(C(F)(F)F)CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000904428439 592254136 /nfs/dbraw/zinc/25/41/36/592254136.db2.gz KYFZAJUIGJWRCU-GFCCVEGCSA-N 2 2 347.385 1.339 20 0 EDADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC2(C)C)cc(Cl)c1OCC(N)=O ZINC000904463563 592259796 /nfs/dbraw/zinc/25/97/96/592259796.db2.gz XDDPYJMTRZGDSI-ZDUSSCGKSA-N 2 2 341.839 1.300 20 0 EDADLP COC(=O)c1ccc(CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)cc1C ZINC000904486639 592271523 /nfs/dbraw/zinc/27/15/23/592271523.db2.gz WSCRLMIYGUZFPT-HZPDHXFCSA-N 2 2 328.416 1.442 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000901161764 592272046 /nfs/dbraw/zinc/27/20/46/592272046.db2.gz GRZKYFKJNSJGJM-NUEKZKHPSA-N 2 2 332.448 1.755 20 0 EDADLP CN(C(=O)CC1COC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201707 592284656 /nfs/dbraw/zinc/28/46/56/592284656.db2.gz SSUIDNGZTTWTSB-QZTJIDSGSA-N 2 2 337.508 1.819 20 0 EDADLP CN(C(=O)CC1COC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201707 592284659 /nfs/dbraw/zinc/28/46/59/592284659.db2.gz SSUIDNGZTTWTSB-QZTJIDSGSA-N 2 2 337.508 1.819 20 0 EDADLP c1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)nc2c1CC[NH2+]C2 ZINC000904642721 592302241 /nfs/dbraw/zinc/30/22/41/592302241.db2.gz DSNNLMMEEQZLDG-CZUORRHYSA-N 2 2 341.415 1.703 20 0 EDADLP CCC[N@H+](CCS(=O)(=O)Nc1ccccc1)C1CC[NH2+]CC1 ZINC000903742026 592304523 /nfs/dbraw/zinc/30/45/23/592304523.db2.gz UNUXNZJZRQSGMQ-UHFFFAOYSA-N 2 2 325.478 1.892 20 0 EDADLP CCC[N@@H+](CCS(=O)(=O)Nc1ccccc1)C1CC[NH2+]CC1 ZINC000903742026 592304528 /nfs/dbraw/zinc/30/45/28/592304528.db2.gz UNUXNZJZRQSGMQ-UHFFFAOYSA-N 2 2 325.478 1.892 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(C[C@H]3CCC[C@@H](C(F)(F)F)O3)C[C@H]2[NH3+])c1 ZINC000903780519 592320426 /nfs/dbraw/zinc/32/04/26/592320426.db2.gz HZPJODCSTKYOLL-BYNQJWBRSA-N 2 2 332.370 1.647 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000903824992 592334464 /nfs/dbraw/zinc/33/44/64/592334464.db2.gz WTFHFMSKNLFHOK-VJANTYMQSA-N 2 2 334.460 1.045 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000903824992 592334469 /nfs/dbraw/zinc/33/44/69/592334469.db2.gz WTFHFMSKNLFHOK-VJANTYMQSA-N 2 2 334.460 1.045 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)C1 ZINC000906806115 592353869 /nfs/dbraw/zinc/35/38/69/592353869.db2.gz IGSUCJZEZQTPAZ-GJZGRUSLSA-N 2 2 338.521 1.744 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)C1 ZINC000906806115 592353873 /nfs/dbraw/zinc/35/38/73/592353873.db2.gz IGSUCJZEZQTPAZ-GJZGRUSLSA-N 2 2 338.521 1.744 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905034373 592372752 /nfs/dbraw/zinc/37/27/52/592372752.db2.gz JMAHKECKRKKBHL-MSOLQXFVSA-N 2 2 334.460 1.143 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905034373 592372756 /nfs/dbraw/zinc/37/27/56/592372756.db2.gz JMAHKECKRKKBHL-MSOLQXFVSA-N 2 2 334.460 1.143 20 0 EDADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000906824365 592373372 /nfs/dbraw/zinc/37/33/72/592373372.db2.gz TYYQQLWIDDCIOD-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC[C@@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922721 592378713 /nfs/dbraw/zinc/37/87/13/592378713.db2.gz COQSOOPHOKYNTF-UONOGXRCSA-N 2 2 343.418 1.850 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC[C@@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922721 592378716 /nfs/dbraw/zinc/37/87/16/592378716.db2.gz COQSOOPHOKYNTF-UONOGXRCSA-N 2 2 343.418 1.850 20 0 EDADLP O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000905051738 592380226 /nfs/dbraw/zinc/38/02/26/592380226.db2.gz HFJSWVXDGOXBGI-IBGZPJMESA-N 2 2 348.487 1.665 20 0 EDADLP CCO[C@H](C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O)C[NH+](C)C ZINC000901592038 592398119 /nfs/dbraw/zinc/39/81/19/592398119.db2.gz GWIJWUPADBRTIZ-CABCVRRESA-N 2 2 327.856 1.293 20 0 EDADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000904310033 592473631 /nfs/dbraw/zinc/47/36/31/592473631.db2.gz VIBIXMNCZJZIDL-HUUCEWRRSA-N 2 2 333.542 1.934 20 0 EDADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000904310033 592473633 /nfs/dbraw/zinc/47/36/33/592473633.db2.gz VIBIXMNCZJZIDL-HUUCEWRRSA-N 2 2 333.542 1.934 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000904318142 592475945 /nfs/dbraw/zinc/47/59/45/592475945.db2.gz MQLHTUNNYCPLMZ-OALUTQOASA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000904318142 592475946 /nfs/dbraw/zinc/47/59/46/592475946.db2.gz MQLHTUNNYCPLMZ-OALUTQOASA-N 3 2 338.540 1.103 20 0 EDADLP C[C@@](O)(C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(F)F ZINC000905234175 592483375 /nfs/dbraw/zinc/48/33/75/592483375.db2.gz ULNUOWCGYYAZTH-NVXWUHKLSA-N 2 2 328.403 1.883 20 0 EDADLP C[C@@](O)(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(F)F ZINC000905234175 592483378 /nfs/dbraw/zinc/48/33/78/592483378.db2.gz ULNUOWCGYYAZTH-NVXWUHKLSA-N 2 2 328.403 1.883 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCCO1 ZINC000907132428 592524970 /nfs/dbraw/zinc/52/49/70/592524970.db2.gz NHIHRWYPOAGGMY-FNNOIMFVSA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCCO1 ZINC000907132428 592524973 /nfs/dbraw/zinc/52/49/73/592524973.db2.gz NHIHRWYPOAGGMY-FNNOIMFVSA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000905545162 592557571 /nfs/dbraw/zinc/55/75/71/592557571.db2.gz WWNDFCHSAWNTSB-KBMXLJTQSA-N 2 2 341.496 1.677 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000905545162 592557574 /nfs/dbraw/zinc/55/75/74/592557574.db2.gz WWNDFCHSAWNTSB-KBMXLJTQSA-N 2 2 341.496 1.677 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905619846 592587477 /nfs/dbraw/zinc/58/74/77/592587477.db2.gz AUSNSJPREDYRNQ-RTBURBONSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000905619846 592587480 /nfs/dbraw/zinc/58/74/80/592587480.db2.gz AUSNSJPREDYRNQ-RTBURBONSA-N 2 2 348.487 1.886 20 0 EDADLP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905620202 592588141 /nfs/dbraw/zinc/58/81/41/592588141.db2.gz QPXZUSFMSQIWHF-PMACEKPBSA-N 2 2 348.487 1.797 20 0 EDADLP O[C@@H](CCOCc1ccccc1)C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905620202 592588145 /nfs/dbraw/zinc/58/81/45/592588145.db2.gz QPXZUSFMSQIWHF-PMACEKPBSA-N 2 2 348.487 1.797 20 0 EDADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905623958 592589465 /nfs/dbraw/zinc/58/94/65/592589465.db2.gz KAZNXICJGZOIPM-OALUTQOASA-N 2 2 348.487 1.832 20 0 EDADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905623958 592589468 /nfs/dbraw/zinc/58/94/68/592589468.db2.gz KAZNXICJGZOIPM-OALUTQOASA-N 2 2 348.487 1.832 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCOC3CCOCC3)c2cc1C ZINC000905610673 592593455 /nfs/dbraw/zinc/59/34/55/592593455.db2.gz UTGMXQDTWITHFT-MRXNPFEDSA-N 2 2 347.459 1.799 20 0 EDADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)c1ccccc1 ZINC000905876227 592659279 /nfs/dbraw/zinc/65/92/79/592659279.db2.gz JEDJIXZFIJHXBX-QRVBRYPASA-N 2 2 336.476 1.562 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)CCC3(O)CCC3)CC2)c1 ZINC000905932834 592688067 /nfs/dbraw/zinc/68/80/67/592688067.db2.gz OXTFXZCNXPMLFB-OAHLLOKOSA-N 2 2 335.448 1.268 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907740290 592766712 /nfs/dbraw/zinc/76/67/12/592766712.db2.gz CWKVKXMYNYDDKE-UHFFFAOYSA-N 2 2 335.496 1.178 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907740290 592766714 /nfs/dbraw/zinc/76/67/14/592766714.db2.gz CWKVKXMYNYDDKE-UHFFFAOYSA-N 2 2 335.496 1.178 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000909260910 592788269 /nfs/dbraw/zinc/78/82/69/592788269.db2.gz DSDQUMRJUJBQSR-KRWDZBQOSA-N 2 2 348.491 1.377 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000907905642 592839940 /nfs/dbraw/zinc/83/99/40/592839940.db2.gz TUEJCKAGYDLRBS-ZDUSSCGKSA-N 2 2 330.388 1.548 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000907905642 592839942 /nfs/dbraw/zinc/83/99/42/592839942.db2.gz TUEJCKAGYDLRBS-ZDUSSCGKSA-N 2 2 330.388 1.548 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000906590605 592852921 /nfs/dbraw/zinc/85/29/21/592852921.db2.gz BXTHGPVJCYXUJZ-QGZVFWFLSA-N 2 2 346.475 1.095 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2sccc2Br)[C@@H](C[NH3+])C1 ZINC000911875601 593029202 /nfs/dbraw/zinc/02/92/02/593029202.db2.gz QYIOFIBULFSVJB-VIFPVBQESA-N 2 2 332.267 1.154 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2sccc2Br)[C@@H](C[NH3+])C1 ZINC000911875601 593029203 /nfs/dbraw/zinc/02/92/03/593029203.db2.gz QYIOFIBULFSVJB-VIFPVBQESA-N 2 2 332.267 1.154 20 0 EDADLP C[NH+]1CCC(N(CCO)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000911935291 593038823 /nfs/dbraw/zinc/03/88/23/593038823.db2.gz OAZOMMJEPLMWGQ-UHFFFAOYSA-N 2 2 342.443 1.460 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000838093041 593123245 /nfs/dbraw/zinc/12/32/45/593123245.db2.gz GSUFDBZJYYDPCJ-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000838093041 593123248 /nfs/dbraw/zinc/12/32/48/593123248.db2.gz GSUFDBZJYYDPCJ-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C[C@@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086154 593154304 /nfs/dbraw/zinc/15/43/04/593154304.db2.gz KRKXPQZNLISYGA-PMACEKPBSA-N 2 2 342.487 1.947 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C[C@@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086154 593154305 /nfs/dbraw/zinc/15/43/05/593154305.db2.gz KRKXPQZNLISYGA-PMACEKPBSA-N 2 2 342.487 1.947 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C[C@@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086154 593154306 /nfs/dbraw/zinc/15/43/06/593154306.db2.gz KRKXPQZNLISYGA-PMACEKPBSA-N 2 2 342.487 1.947 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C[C@@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086154 593154307 /nfs/dbraw/zinc/15/43/07/593154307.db2.gz KRKXPQZNLISYGA-PMACEKPBSA-N 2 2 342.487 1.947 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NCc3cn(C)c[nH+]3)c2)CC1 ZINC000808407911 593257355 /nfs/dbraw/zinc/25/73/55/593257355.db2.gz GPZIQXPHYQNOJB-UHFFFAOYSA-N 2 2 327.432 1.696 20 0 EDADLP O=C1CC2(CCC2)C(=O)N1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000840003980 593336852 /nfs/dbraw/zinc/33/68/52/593336852.db2.gz QHGBDOLQGONUNF-UHFFFAOYSA-N 2 2 349.475 1.307 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000806657000 593462570 /nfs/dbraw/zinc/46/25/70/593462570.db2.gz YWHVYYMTSIGHRR-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000806657000 593462572 /nfs/dbraw/zinc/46/25/72/593462572.db2.gz YWHVYYMTSIGHRR-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)C1 ZINC000811758203 593479412 /nfs/dbraw/zinc/47/94/12/593479412.db2.gz FHSDPVWUFNVZQC-QBPKDAKJSA-N 2 2 335.492 1.776 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)C1 ZINC000811758203 593479413 /nfs/dbraw/zinc/47/94/13/593479413.db2.gz FHSDPVWUFNVZQC-QBPKDAKJSA-N 2 2 335.492 1.776 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)C1 ZINC000811758203 593479414 /nfs/dbraw/zinc/47/94/14/593479414.db2.gz FHSDPVWUFNVZQC-QBPKDAKJSA-N 2 2 335.492 1.776 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)C1 ZINC000811758203 593479415 /nfs/dbraw/zinc/47/94/15/593479415.db2.gz FHSDPVWUFNVZQC-QBPKDAKJSA-N 2 2 335.492 1.776 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811757930 593479579 /nfs/dbraw/zinc/47/95/79/593479579.db2.gz BSPBFJLRHKEXRF-CVEARBPZSA-N 2 2 334.464 1.887 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811757930 593479580 /nfs/dbraw/zinc/47/95/80/593479580.db2.gz BSPBFJLRHKEXRF-CVEARBPZSA-N 2 2 334.464 1.887 20 0 EDADLP C[C@@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000811814383 593483441 /nfs/dbraw/zinc/48/34/41/593483441.db2.gz WXSQPNNKTCSLQC-YOEHRIQHSA-N 2 2 329.485 1.726 20 0 EDADLP CCC(=O)Nc1ccccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000812528044 593503597 /nfs/dbraw/zinc/50/35/97/593503597.db2.gz VXRPADQZSASZHU-UHFFFAOYSA-N 2 2 346.475 1.791 20 0 EDADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000813325090 593526283 /nfs/dbraw/zinc/52/62/83/593526283.db2.gz WDVGOEDHGDTFQN-MAUKXSAKSA-N 2 2 331.460 1.666 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000816750879 593547295 /nfs/dbraw/zinc/54/72/95/593547295.db2.gz USLQXHNLOMSDBU-CVEARBPZSA-N 2 2 341.415 1.203 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000816750879 593547297 /nfs/dbraw/zinc/54/72/97/593547297.db2.gz USLQXHNLOMSDBU-CVEARBPZSA-N 2 2 341.415 1.203 20 0 EDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816869286 593555004 /nfs/dbraw/zinc/55/50/04/593555004.db2.gz MFYOJDQPEABHCT-UHFFFAOYSA-N 2 2 341.459 1.406 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000816966589 593565129 /nfs/dbraw/zinc/56/51/29/593565129.db2.gz CCAOPSTXNOKZIQ-INIZCTEOSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000816966589 593565130 /nfs/dbraw/zinc/56/51/30/593565130.db2.gz CCAOPSTXNOKZIQ-INIZCTEOSA-N 2 2 328.416 1.225 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000818990005 593732641 /nfs/dbraw/zinc/73/26/41/593732641.db2.gz WHEFGFIBDGICRL-FQEVSTJZSA-N 3 2 340.471 1.917 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 ZINC000819193331 593743861 /nfs/dbraw/zinc/74/38/61/593743861.db2.gz FGMNKSBBVIAVFC-QZTJIDSGSA-N 2 2 331.460 1.222 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 ZINC000819193331 593743862 /nfs/dbraw/zinc/74/38/62/593743862.db2.gz FGMNKSBBVIAVFC-QZTJIDSGSA-N 2 2 331.460 1.222 20 0 EDADLP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821587248 593870733 /nfs/dbraw/zinc/87/07/33/593870733.db2.gz NDRFSFOLSLKTOZ-UHFFFAOYSA-N 2 2 349.508 1.291 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000820807960 593894397 /nfs/dbraw/zinc/89/43/97/593894397.db2.gz UZQCNFMABNLWMP-HZUKXOBISA-N 2 2 328.416 1.494 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000820807960 593894399 /nfs/dbraw/zinc/89/43/99/593894399.db2.gz UZQCNFMABNLWMP-HZUKXOBISA-N 2 2 328.416 1.494 20 0 EDADLP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC12COC2 ZINC000824489485 594024100 /nfs/dbraw/zinc/02/41/00/594024100.db2.gz KHROXMRWXPFXDP-OAHLLOKOSA-N 2 2 342.399 1.279 20 0 EDADLP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC12COC2 ZINC000824489485 594024101 /nfs/dbraw/zinc/02/41/01/594024101.db2.gz KHROXMRWXPFXDP-OAHLLOKOSA-N 2 2 342.399 1.279 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000822757863 594096704 /nfs/dbraw/zinc/09/67/04/594096704.db2.gz GOJRXFOFCDQXOQ-CYBMUJFWSA-N 2 2 346.410 1.160 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000822757863 594096705 /nfs/dbraw/zinc/09/67/05/594096705.db2.gz GOJRXFOFCDQXOQ-CYBMUJFWSA-N 2 2 346.410 1.160 20 0 EDADLP Cn1c[nH+]c(/C=C/C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000824940494 594101441 /nfs/dbraw/zinc/10/14/41/594101441.db2.gz CBGKYRGYWZWVSS-IPLHWJFFSA-N 2 2 340.427 1.316 20 0 EDADLP Cn1c[nH+]c(/C=C/C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000824940494 594101442 /nfs/dbraw/zinc/10/14/42/594101442.db2.gz CBGKYRGYWZWVSS-IPLHWJFFSA-N 2 2 340.427 1.316 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000824958343 594105522 /nfs/dbraw/zinc/10/55/22/594105522.db2.gz WDHKGSGTCCQPSU-QWHCGFSZSA-N 2 2 339.402 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000824958343 594105524 /nfs/dbraw/zinc/10/55/24/594105524.db2.gz WDHKGSGTCCQPSU-QWHCGFSZSA-N 2 2 339.402 1.486 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2[nH+]1 ZINC000825900277 594272843 /nfs/dbraw/zinc/27/28/43/594272843.db2.gz JWGKFFOSRXLSLS-HUUCEWRRSA-N 2 2 329.404 1.627 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2[nH+]1 ZINC000825900277 594272845 /nfs/dbraw/zinc/27/28/45/594272845.db2.gz JWGKFFOSRXLSLS-HUUCEWRRSA-N 2 2 329.404 1.627 20 0 EDADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2cccc(C)c2)CCO1 ZINC000826563967 594527664 /nfs/dbraw/zinc/52/76/64/594527664.db2.gz LABPHQMQTQEGTF-SFHVURJKSA-N 2 2 333.476 1.654 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2cccc(C)c2)CCO1 ZINC000826563967 594527665 /nfs/dbraw/zinc/52/76/65/594527665.db2.gz LABPHQMQTQEGTF-SFHVURJKSA-N 2 2 333.476 1.654 20 0 EDADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826563967 594527667 /nfs/dbraw/zinc/52/76/67/594527667.db2.gz LABPHQMQTQEGTF-SFHVURJKSA-N 2 2 333.476 1.654 20 0 EDADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826563967 594527669 /nfs/dbraw/zinc/52/76/69/594527669.db2.gz LABPHQMQTQEGTF-SFHVURJKSA-N 2 2 333.476 1.654 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000826682534 594554648 /nfs/dbraw/zinc/55/46/48/594554648.db2.gz ORWFMWWLIGTZBB-KRWDZBQOSA-N 2 2 331.460 1.648 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000826682534 594554649 /nfs/dbraw/zinc/55/46/49/594554649.db2.gz ORWFMWWLIGTZBB-KRWDZBQOSA-N 2 2 331.460 1.648 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)CCCCC[NH3+])CC2)c1 ZINC000831388279 594621042 /nfs/dbraw/zinc/62/10/42/594621042.db2.gz ARWBGWFNALVMCV-UHFFFAOYSA-N 2 2 349.475 1.737 20 0 EDADLP Cc1cc([C@H]([NH3+])CC(=O)N[C@H](C)C[NH+]2CCOCC2)cc(Cl)n1 ZINC000827080787 594636022 /nfs/dbraw/zinc/63/60/22/594636022.db2.gz MINKJXKVSZOMAC-TZMCWYRMSA-N 2 2 340.855 1.270 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000831735744 594697667 /nfs/dbraw/zinc/69/76/67/594697667.db2.gz UVBMAETYCDOSIA-GOEBONIOSA-N 2 2 325.416 1.729 20 0 EDADLP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCn2cc[nH+]c21 ZINC000833298822 594822557 /nfs/dbraw/zinc/82/25/57/594822557.db2.gz DORZXGVYCJFLPA-KRWDZBQOSA-N 2 2 339.443 1.262 20 0 EDADLP FC1(F)Oc2cccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2O1 ZINC000840889910 594823691 /nfs/dbraw/zinc/82/36/91/594823691.db2.gz JJPZWCFCDWWKFN-QWHCGFSZSA-N 2 2 326.343 1.961 20 0 EDADLP FC1(F)Oc2cccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2O1 ZINC000840889910 594823693 /nfs/dbraw/zinc/82/36/93/594823693.db2.gz JJPZWCFCDWWKFN-QWHCGFSZSA-N 2 2 326.343 1.961 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3SCCCS3)C2)CC1 ZINC000841393550 594892847 /nfs/dbraw/zinc/89/28/47/594892847.db2.gz QEHIMBPLENZLRK-GFCCVEGCSA-N 2 2 329.535 1.467 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3SCCCS3)C2)CC1 ZINC000841393550 594892850 /nfs/dbraw/zinc/89/28/50/594892850.db2.gz QEHIMBPLENZLRK-GFCCVEGCSA-N 2 2 329.535 1.467 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1(C)C ZINC000836285126 594947575 /nfs/dbraw/zinc/94/75/75/594947575.db2.gz XLMZGWFFRASQGC-ZNMIVQPWSA-N 2 2 347.463 1.376 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1(C)C ZINC000836285126 594947577 /nfs/dbraw/zinc/94/75/77/594947577.db2.gz XLMZGWFFRASQGC-ZNMIVQPWSA-N 2 2 347.463 1.376 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N(C)C3CC([NH3+])C3)CC2)cc1 ZINC000841838182 594961537 /nfs/dbraw/zinc/96/15/37/594961537.db2.gz PZWWNQBMEAHIGF-UHFFFAOYSA-N 2 2 345.491 1.853 20 0 EDADLP CN(C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1)C1CC([NH3+])C1 ZINC000841838182 594961538 /nfs/dbraw/zinc/96/15/38/594961538.db2.gz PZWWNQBMEAHIGF-UHFFFAOYSA-N 2 2 345.491 1.853 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000836519644 594971499 /nfs/dbraw/zinc/97/14/99/594971499.db2.gz ZJPDYYPNCWOIMW-QGZVFWFLSA-N 2 2 339.443 1.898 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000841943816 594986676 /nfs/dbraw/zinc/98/66/76/594986676.db2.gz PCKNBTSNLHUNQK-GFCCVEGCSA-N 2 2 327.498 1.178 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)NCC(C)(C)[NH3+] ZINC000841949687 594987976 /nfs/dbraw/zinc/98/79/76/594987976.db2.gz FXEMVBIQUQJMLS-UHFFFAOYSA-N 2 2 328.501 1.648 20 0 EDADLP CC(=O)Nc1ccc2c(C[NH2+][C@](C)(C[NH3+])C3CC3)cc(=O)oc2c1 ZINC000843356594 595086036 /nfs/dbraw/zinc/08/60/36/595086036.db2.gz YAUIHJBLROIPRE-GOSISDBHSA-N 2 2 329.400 1.968 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000842475363 595114032 /nfs/dbraw/zinc/11/40/32/595114032.db2.gz OKCJXDVKQHKIPA-RHSMWYFYSA-N 2 2 334.464 1.255 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000842475363 595114035 /nfs/dbraw/zinc/11/40/35/595114035.db2.gz OKCJXDVKQHKIPA-RHSMWYFYSA-N 2 2 334.464 1.255 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000843072592 595280641 /nfs/dbraw/zinc/28/06/41/595280641.db2.gz IUHLCVJVLPWSQO-HUUCEWRRSA-N 2 2 332.366 1.784 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000843072592 595280642 /nfs/dbraw/zinc/28/06/42/595280642.db2.gz IUHLCVJVLPWSQO-HUUCEWRRSA-N 2 2 332.366 1.784 20 0 EDADLP c1cn(-c2ncccc2-c2noc(C[C@@H]3CSCC[NH2+]3)n2)c[nH+]1 ZINC000843181209 595300550 /nfs/dbraw/zinc/30/05/50/595300550.db2.gz WRNUJKFHJACYDH-LLVKDONJSA-N 2 2 328.401 1.565 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000844218580 595304931 /nfs/dbraw/zinc/30/49/31/595304931.db2.gz WNOILWVQGFDPOJ-UHFFFAOYSA-N 2 2 332.448 1.146 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000844218580 595304933 /nfs/dbraw/zinc/30/49/33/595304933.db2.gz WNOILWVQGFDPOJ-UHFFFAOYSA-N 2 2 332.448 1.146 20 0 EDADLP C[NH2+]CCC1CC[NH+](CC(=O)N=c2cc(C(C)(C)C)[nH]n2C)CC1 ZINC000844222561 595307303 /nfs/dbraw/zinc/30/73/03/595307303.db2.gz GVVPZUNHNNPKMI-UHFFFAOYSA-N 2 2 335.496 1.400 20 0 EDADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846836146 595323934 /nfs/dbraw/zinc/32/39/34/595323934.db2.gz OZKHRXOMHOCDLM-QWRGUYRKSA-N 2 2 347.444 1.397 20 0 EDADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846836146 595323936 /nfs/dbraw/zinc/32/39/36/595323936.db2.gz OZKHRXOMHOCDLM-QWRGUYRKSA-N 2 2 347.444 1.397 20 0 EDADLP Cn1c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cnc1Cl ZINC000848543639 595403960 /nfs/dbraw/zinc/40/39/60/595403960.db2.gz VHQSMNDVJFKERZ-GJZGRUSLSA-N 2 2 326.872 1.931 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCN(C4=[NH+]C[C@H](C)S4)CC3)ccn12 ZINC000847525130 595440934 /nfs/dbraw/zinc/44/09/34/595440934.db2.gz SYGOKLLIZCUEKH-ZDUSSCGKSA-N 2 2 343.456 1.892 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000845201381 595460376 /nfs/dbraw/zinc/46/03/76/595460376.db2.gz KWUZZHFUMYXJMJ-MRXNPFEDSA-N 2 2 327.432 1.488 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000845201381 595460378 /nfs/dbraw/zinc/46/03/78/595460378.db2.gz KWUZZHFUMYXJMJ-MRXNPFEDSA-N 2 2 327.432 1.488 20 0 EDADLP COc1ccc(OC)c(NC(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000849075014 595478328 /nfs/dbraw/zinc/47/83/28/595478328.db2.gz ZNCPGTTUOOPSLM-UHFFFAOYSA-N 2 2 336.436 1.751 20 0 EDADLP COc1ccc(OC)c(NC(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000849075014 595478329 /nfs/dbraw/zinc/47/83/29/595478329.db2.gz ZNCPGTTUOOPSLM-UHFFFAOYSA-N 2 2 336.436 1.751 20 0 EDADLP C[C@@H](CC(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1)n1cc[nH+]c1 ZINC000845544908 595516394 /nfs/dbraw/zinc/51/63/94/595516394.db2.gz SIDUUGJCYXJNKA-QWHCGFSZSA-N 2 2 330.392 1.419 20 0 EDADLP CCCCOC(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765493 595533061 /nfs/dbraw/zinc/53/30/61/595533061.db2.gz PDEMIINGKZNDJW-OAHLLOKOSA-N 2 2 349.479 1.342 20 0 EDADLP CCCCOC(=O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765493 595533064 /nfs/dbraw/zinc/53/30/64/595533064.db2.gz PDEMIINGKZNDJW-OAHLLOKOSA-N 2 2 349.479 1.342 20 0 EDADLP O=C(C=C1CC[NH2+]CC1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000852854202 595577371 /nfs/dbraw/zinc/57/73/71/595577371.db2.gz FDLDWIHNZNGRBF-HNNXBMFYSA-N 2 2 335.473 1.547 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000855408779 595698547 /nfs/dbraw/zinc/69/85/47/595698547.db2.gz YQQKYNQFQYABML-CPUCHLNUSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000855408779 595698549 /nfs/dbraw/zinc/69/85/49/595698549.db2.gz YQQKYNQFQYABML-CPUCHLNUSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000855408779 595698550 /nfs/dbraw/zinc/69/85/50/595698550.db2.gz YQQKYNQFQYABML-CPUCHLNUSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)CO1 ZINC000855408779 595698553 /nfs/dbraw/zinc/69/85/53/595698553.db2.gz YQQKYNQFQYABML-CPUCHLNUSA-N 2 2 329.460 1.424 20 0 EDADLP O=C(CC[NH2+]Cc1ccnc(F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000858117689 595702937 /nfs/dbraw/zinc/70/29/37/595702937.db2.gz XEXYVCCQIZSEBO-UHFFFAOYSA-N 2 2 343.406 1.444 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000858526664 595818824 /nfs/dbraw/zinc/81/88/24/595818824.db2.gz HJTTZMGNQLUWPV-KBMXLJTQSA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000858526664 595818826 /nfs/dbraw/zinc/81/88/26/595818826.db2.gz HJTTZMGNQLUWPV-KBMXLJTQSA-N 2 2 339.480 1.695 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OC[C@@H](OC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC000860892342 595830121 /nfs/dbraw/zinc/83/01/21/595830121.db2.gz YUWQCDOASMBKOO-OAHLLOKOSA-N 2 2 346.387 1.262 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000851921527 595973012 /nfs/dbraw/zinc/97/30/12/595973012.db2.gz UHAKXIQOBBFGQE-XJKSGUPXSA-N 2 2 343.493 1.410 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000851921527 595973015 /nfs/dbraw/zinc/97/30/15/595973015.db2.gz UHAKXIQOBBFGQE-XJKSGUPXSA-N 2 2 343.493 1.410 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000854222323 596006232 /nfs/dbraw/zinc/00/62/32/596006232.db2.gz FEAQSDNNASMDQN-YYIAUSFCSA-N 2 2 335.423 1.154 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852010892 596007429 /nfs/dbraw/zinc/00/74/29/596007429.db2.gz VLMPEUGCDKFHLP-KRWDZBQOSA-N 2 2 325.497 1.870 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852010892 596007431 /nfs/dbraw/zinc/00/74/31/596007431.db2.gz VLMPEUGCDKFHLP-KRWDZBQOSA-N 2 2 325.497 1.870 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCOC3=O)C2)ccn1 ZINC000856600254 596030119 /nfs/dbraw/zinc/03/01/19/596030119.db2.gz RYIVEFDAIZFSLS-DLBZAZTESA-N 2 2 333.432 1.690 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCOC3=O)C2)ccn1 ZINC000856600254 596030122 /nfs/dbraw/zinc/03/01/22/596030122.db2.gz RYIVEFDAIZFSLS-DLBZAZTESA-N 2 2 333.432 1.690 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)ccn1 ZINC000856600254 596030124 /nfs/dbraw/zinc/03/01/24/596030124.db2.gz RYIVEFDAIZFSLS-DLBZAZTESA-N 2 2 333.432 1.690 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)ccn1 ZINC000856600254 596030126 /nfs/dbraw/zinc/03/01/26/596030126.db2.gz RYIVEFDAIZFSLS-DLBZAZTESA-N 2 2 333.432 1.690 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnon3)C2)ccn1 ZINC000856607084 596033753 /nfs/dbraw/zinc/03/37/53/596033753.db2.gz VFGSEIKMCIXOSP-QGZVFWFLSA-N 2 2 331.420 1.958 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnon3)C2)ccn1 ZINC000856607084 596033756 /nfs/dbraw/zinc/03/37/56/596033756.db2.gz VFGSEIKMCIXOSP-QGZVFWFLSA-N 2 2 331.420 1.958 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnon3)C2)ccn1 ZINC000856607084 596033759 /nfs/dbraw/zinc/03/37/59/596033759.db2.gz VFGSEIKMCIXOSP-QGZVFWFLSA-N 2 2 331.420 1.958 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnon3)C2)ccn1 ZINC000856607084 596033762 /nfs/dbraw/zinc/03/37/62/596033762.db2.gz VFGSEIKMCIXOSP-QGZVFWFLSA-N 2 2 331.420 1.958 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000861576943 596034147 /nfs/dbraw/zinc/03/41/47/596034147.db2.gz XIZXIXJWZUQBBW-STQMWFEESA-N 2 2 340.418 1.918 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000861576943 596034151 /nfs/dbraw/zinc/03/41/51/596034151.db2.gz XIZXIXJWZUQBBW-STQMWFEESA-N 2 2 340.418 1.918 20 0 EDADLP CCc1noc(C[C@]2(O)CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000856676152 596047760 /nfs/dbraw/zinc/04/77/60/596047760.db2.gz GJNULPPMNFPDLE-GOSISDBHSA-N 2 2 336.480 1.877 20 0 EDADLP CCc1noc(C[C@]2(O)CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000856676152 596047764 /nfs/dbraw/zinc/04/77/64/596047764.db2.gz GJNULPPMNFPDLE-GOSISDBHSA-N 2 2 336.480 1.877 20 0 EDADLP C[NH+]1CCC(ONC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000854357281 596050972 /nfs/dbraw/zinc/05/09/72/596050972.db2.gz XQQAWAPQGZBIOT-UHFFFAOYSA-N 2 2 325.453 1.164 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854726715 596176780 /nfs/dbraw/zinc/17/67/80/596176780.db2.gz HAVBMWHJDGHQEN-KRWDZBQOSA-N 2 2 325.497 1.822 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854726715 596176783 /nfs/dbraw/zinc/17/67/83/596176783.db2.gz HAVBMWHJDGHQEN-KRWDZBQOSA-N 2 2 325.497 1.822 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000859777820 596194733 /nfs/dbraw/zinc/19/47/33/596194733.db2.gz ZUZMMXGULNDXCM-UHFFFAOYSA-N 2 2 337.386 1.242 20 0 EDADLP CCOC(=O)CC1([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CCOCC1 ZINC000852726422 596233995 /nfs/dbraw/zinc/23/39/95/596233995.db2.gz NYSVFUNHNCLZHX-UHFFFAOYSA-N 2 2 344.415 1.859 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)Cc3ccc[nH+]c3N2C1 ZINC000870535263 596274033 /nfs/dbraw/zinc/27/40/33/596274033.db2.gz KPHCHYUQYGMTER-HZPDHXFCSA-N 2 2 341.415 1.223 20 0 EDADLP CC[N@H+](CC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@@H]2C1)C1CC1 ZINC000870535375 596274485 /nfs/dbraw/zinc/27/44/85/596274485.db2.gz CWYJBHACUJLSDA-SJORKVTESA-N 2 2 344.459 1.502 20 0 EDADLP CC[N@@H+](CC(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@@H]2C1)C1CC1 ZINC000870535375 596274486 /nfs/dbraw/zinc/27/44/86/596274486.db2.gz CWYJBHACUJLSDA-SJORKVTESA-N 2 2 344.459 1.502 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000864595690 596275230 /nfs/dbraw/zinc/27/52/30/596275230.db2.gz RVYNNDBONMSPAN-ONEGZZNKSA-N 2 2 343.471 1.787 20 0 EDADLP Cc1ccc2c(C[NH+]3CCC([NH2+]CCO)CC3)cc(=O)oc2c1C ZINC000866681880 596292040 /nfs/dbraw/zinc/29/20/40/596292040.db2.gz GKDMOVCTXJWFKS-UHFFFAOYSA-N 2 2 330.428 1.956 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cn2c1 ZINC000866714710 596306459 /nfs/dbraw/zinc/30/64/59/596306459.db2.gz VSOXXZLUTCNKCF-XHSDSOJGSA-N 2 2 341.415 1.010 20 0 EDADLP Cc1ccc2nc(C[N@H+]3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cn2c1 ZINC000866714710 596306464 /nfs/dbraw/zinc/30/64/64/596306464.db2.gz VSOXXZLUTCNKCF-XHSDSOJGSA-N 2 2 341.415 1.010 20 0 EDADLP O=C(CN1CCC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000866724809 596311269 /nfs/dbraw/zinc/31/12/69/596311269.db2.gz NBIBHPVKSGNCNZ-IRXDYDNUSA-N 2 2 348.516 1.219 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000866782942 596342494 /nfs/dbraw/zinc/34/24/94/596342494.db2.gz CZOPHZAWEWHZDK-MRXNPFEDSA-N 2 2 348.422 1.369 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000866782942 596342496 /nfs/dbraw/zinc/34/24/96/596342496.db2.gz CZOPHZAWEWHZDK-MRXNPFEDSA-N 2 2 348.422 1.369 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000870861496 596380617 /nfs/dbraw/zinc/38/06/17/596380617.db2.gz ZQPAGRVFAOPEHB-FGTMMUONSA-N 2 2 331.460 1.694 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870880984 596388035 /nfs/dbraw/zinc/38/80/35/596388035.db2.gz WVCBTFZCIFCXPH-UHFFFAOYSA-N 2 2 331.460 1.729 20 0 EDADLP [NH3+][C@H]1CC[C@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000870915967 596402251 /nfs/dbraw/zinc/40/22/51/596402251.db2.gz ADIIFLLWESYGAT-WKILWMFISA-N 2 2 341.459 1.496 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H](C)[NH2+]C3CC3)C2)c1 ZINC000870977845 596424994 /nfs/dbraw/zinc/42/49/94/596424994.db2.gz LZAVHWQWCPJXKX-YJBOKZPZSA-N 2 2 331.460 1.453 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H](C)[NH2+]C3CC3)C2)c1 ZINC000870977845 596424998 /nfs/dbraw/zinc/42/49/98/596424998.db2.gz LZAVHWQWCPJXKX-YJBOKZPZSA-N 2 2 331.460 1.453 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cn1 ZINC000864951030 596426181 /nfs/dbraw/zinc/42/61/81/596426181.db2.gz ADLJHCQXMNLMKD-IHWYPQMZSA-N 2 2 341.415 1.080 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CC(F)F)C2)CC1 ZINC000867632401 596470302 /nfs/dbraw/zinc/47/03/02/596470302.db2.gz XYCDKAMBDATJRF-KBPBESRZSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CC(F)F)C2)CC1 ZINC000867632401 596470303 /nfs/dbraw/zinc/47/03/03/596470303.db2.gz XYCDKAMBDATJRF-KBPBESRZSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000867632401 596470306 /nfs/dbraw/zinc/47/03/06/596470306.db2.gz XYCDKAMBDATJRF-KBPBESRZSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000867632401 596470309 /nfs/dbraw/zinc/47/03/09/596470309.db2.gz XYCDKAMBDATJRF-KBPBESRZSA-N 2 2 347.450 1.267 20 0 EDADLP O=C(c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1)N1CCCC1 ZINC000865449783 596578515 /nfs/dbraw/zinc/57/85/15/596578515.db2.gz BQKVAFHVZURPIR-OALUTQOASA-N 2 2 343.471 1.875 20 0 EDADLP O=C(c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1)N1CCCC1 ZINC000865449783 596578517 /nfs/dbraw/zinc/57/85/17/596578517.db2.gz BQKVAFHVZURPIR-OALUTQOASA-N 2 2 343.471 1.875 20 0 EDADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)ccc1F ZINC000865464690 596583104 /nfs/dbraw/zinc/58/31/04/596583104.db2.gz NDYLFLLJOYRDPP-QGZVFWFLSA-N 2 2 347.438 1.948 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3([NH3+])CCOCC3)CC2)cc1 ZINC000863481615 596594166 /nfs/dbraw/zinc/59/41/66/596594166.db2.gz KKCJGTQPKKPTOS-UHFFFAOYSA-N 3 2 332.492 1.819 20 0 EDADLP COC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000863573195 596622721 /nfs/dbraw/zinc/62/27/21/596622721.db2.gz SWMCXIWOFFTRHC-HZPDHXFCSA-N 2 2 343.427 1.865 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865619714 596629098 /nfs/dbraw/zinc/62/90/98/596629098.db2.gz WJWPVPRFTGIZRM-GFCCVEGCSA-N 2 2 348.838 1.306 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865619714 596629102 /nfs/dbraw/zinc/62/91/02/596629102.db2.gz WJWPVPRFTGIZRM-GFCCVEGCSA-N 2 2 348.838 1.306 20 0 EDADLP c1ccc(CNc2cc(N3CC[NH+]([C@@H]4CCOC4)CC3)nc[nH+]2)cc1 ZINC000865625021 596630692 /nfs/dbraw/zinc/63/06/92/596630692.db2.gz UWSIESXDSMWDOR-QGZVFWFLSA-N 2 2 339.443 2.000 20 0 EDADLP CCCNc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)nc[nH+]1 ZINC000865648793 596638944 /nfs/dbraw/zinc/63/89/44/596638944.db2.gz JPPHWCXXEUSHPT-CVEARBPZSA-N 2 2 332.496 1.761 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000867980499 596643512 /nfs/dbraw/zinc/64/35/12/596643512.db2.gz VLDQGTCMXZQPBM-MRXNPFEDSA-N 2 2 339.374 1.584 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2CCN(C)c3[nH+]cccc3C2)CC1 ZINC000867985893 596645518 /nfs/dbraw/zinc/64/55/18/596645518.db2.gz QIZVWIXASBNRGW-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP CC(C)(C(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)[NH+]1CCOCC1 ZINC000869814173 596646020 /nfs/dbraw/zinc/64/60/20/596646020.db2.gz GVGMXXDJRKIYMU-UHFFFAOYSA-N 2 2 343.471 1.442 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869815454 596647640 /nfs/dbraw/zinc/64/76/40/596647640.db2.gz ONIFTISXTUZENR-QGZVFWFLSA-N 2 2 336.439 1.790 20 0 EDADLP Cc1cnc(F)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000865727773 596661574 /nfs/dbraw/zinc/66/15/74/596661574.db2.gz HWZYEPWRDXKZRG-HNNXBMFYSA-N 2 2 334.439 1.770 20 0 EDADLP Cc1cnc(F)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000865727773 596661576 /nfs/dbraw/zinc/66/15/76/596661576.db2.gz HWZYEPWRDXKZRG-HNNXBMFYSA-N 2 2 334.439 1.770 20 0 EDADLP Cc1ccn(C[C@@H](C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865750533 596670329 /nfs/dbraw/zinc/67/03/29/596670329.db2.gz QEADBHUMHOCUTL-ZBFHGGJFSA-N 2 2 333.480 1.112 20 0 EDADLP Cc1ccn(C[C@@H](C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865750533 596670332 /nfs/dbraw/zinc/67/03/32/596670332.db2.gz QEADBHUMHOCUTL-ZBFHGGJFSA-N 2 2 333.480 1.112 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC(F)(F)C(F)(F)F)C2)CC1 ZINC000865750784 596670508 /nfs/dbraw/zinc/67/05/08/596670508.db2.gz SMGOSRPVYDAAOA-JTQLQIEISA-N 2 2 343.340 1.859 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC(F)(F)C(F)(F)F)C2)CC1 ZINC000865750784 596670509 /nfs/dbraw/zinc/67/05/09/596670509.db2.gz SMGOSRPVYDAAOA-JTQLQIEISA-N 2 2 343.340 1.859 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1(C)C ZINC000868056069 596671830 /nfs/dbraw/zinc/67/18/30/596671830.db2.gz PCCNTMCDOPUPBF-UHFFFAOYSA-N 2 2 347.438 1.158 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1(C)C ZINC000868056069 596671834 /nfs/dbraw/zinc/67/18/34/596671834.db2.gz PCCNTMCDOPUPBF-UHFFFAOYSA-N 2 2 347.438 1.158 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1)[C@H]1CCSC1 ZINC000870084721 596742018 /nfs/dbraw/zinc/74/20/18/596742018.db2.gz DRUJPWLBSIXFET-GOEBONIOSA-N 2 2 335.473 1.302 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1)[C@H]1CCSC1 ZINC000870084721 596742023 /nfs/dbraw/zinc/74/20/23/596742023.db2.gz DRUJPWLBSIXFET-GOEBONIOSA-N 2 2 335.473 1.302 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H](Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000865996936 596752613 /nfs/dbraw/zinc/75/26/13/596752613.db2.gz QVTBVADIQLFEAZ-AWEZNQCLSA-N 2 2 349.479 1.085 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H](Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000865996936 596752617 /nfs/dbraw/zinc/75/26/17/596752617.db2.gz QVTBVADIQLFEAZ-AWEZNQCLSA-N 2 2 349.479 1.085 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)/C=C\C[NH+]3CCOCC3)CC[NH2+]2)c1 ZINC000870152044 596776059 /nfs/dbraw/zinc/77/60/59/596776059.db2.gz GIHITLGRZKLZEI-VDNIUXDYSA-N 2 2 345.443 1.057 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000868310847 596783896 /nfs/dbraw/zinc/78/38/96/596783896.db2.gz ZUJNFVZMLQMXMK-KRWDZBQOSA-N 2 2 338.411 1.387 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000868310847 596783898 /nfs/dbraw/zinc/78/38/98/596783898.db2.gz ZUJNFVZMLQMXMK-KRWDZBQOSA-N 2 2 338.411 1.387 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2scnc2Cl)CC1 ZINC000872144743 596810404 /nfs/dbraw/zinc/81/04/04/596810404.db2.gz GNMIEXXIRACFEP-MNOVXSKESA-N 2 2 342.852 1.554 20 0 EDADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152277 596814242 /nfs/dbraw/zinc/81/42/42/596814242.db2.gz MNFYDTMTCDKXQA-DKICVRJWSA-N 2 2 340.471 1.756 20 0 EDADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872152277 596814244 /nfs/dbraw/zinc/81/42/44/596814244.db2.gz MNFYDTMTCDKXQA-DKICVRJWSA-N 2 2 340.471 1.756 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151906 596814256 /nfs/dbraw/zinc/81/42/56/596814256.db2.gz YVCJMWFGPCNHLE-KGYLQXTDSA-N 2 2 347.356 1.899 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151906 596814257 /nfs/dbraw/zinc/81/42/57/596814257.db2.gz YVCJMWFGPCNHLE-KGYLQXTDSA-N 2 2 347.356 1.899 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000866169897 596816239 /nfs/dbraw/zinc/81/62/39/596816239.db2.gz XAKKMTLFCNTJCH-UHFFFAOYSA-N 2 2 346.435 1.581 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868391838 596818074 /nfs/dbraw/zinc/81/80/74/596818074.db2.gz OQRKHXQJJRIHAS-HWKANZROSA-N 2 2 346.475 1.250 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868391838 596818076 /nfs/dbraw/zinc/81/80/76/596818076.db2.gz OQRKHXQJJRIHAS-HWKANZROSA-N 2 2 346.475 1.250 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000868423274 596832411 /nfs/dbraw/zinc/83/24/11/596832411.db2.gz HGBWACKQFZWGFG-IAOVAPTHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000868423274 596832414 /nfs/dbraw/zinc/83/24/14/596832414.db2.gz HGBWACKQFZWGFG-IAOVAPTHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000868423274 596832416 /nfs/dbraw/zinc/83/24/16/596832416.db2.gz HGBWACKQFZWGFG-IAOVAPTHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000868423274 596832419 /nfs/dbraw/zinc/83/24/19/596832419.db2.gz HGBWACKQFZWGFG-IAOVAPTHSA-N 2 2 332.448 1.191 20 0 EDADLP CO[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000872201635 596833231 /nfs/dbraw/zinc/83/32/31/596833231.db2.gz GOVKVOKUHURAOB-GJZGRUSLSA-N 2 2 332.366 1.790 20 0 EDADLP CO[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000872201635 596833232 /nfs/dbraw/zinc/83/32/32/596833232.db2.gz GOVKVOKUHURAOB-GJZGRUSLSA-N 2 2 332.366 1.790 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000866411737 596879833 /nfs/dbraw/zinc/87/98/33/596879833.db2.gz VCPLMDWHXXKISY-ZBFHGGJFSA-N 2 2 349.475 1.847 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1 ZINC000866411737 596879834 /nfs/dbraw/zinc/87/98/34/596879834.db2.gz VCPLMDWHXXKISY-ZBFHGGJFSA-N 2 2 349.475 1.847 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000875591831 596908833 /nfs/dbraw/zinc/90/88/33/596908833.db2.gz AOWOZVYIIHNDHD-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000875591831 596908837 /nfs/dbraw/zinc/90/88/37/596908837.db2.gz AOWOZVYIIHNDHD-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875591831 596908839 /nfs/dbraw/zinc/90/88/39/596908839.db2.gz AOWOZVYIIHNDHD-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875591831 596908844 /nfs/dbraw/zinc/90/88/44/596908844.db2.gz AOWOZVYIIHNDHD-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000875662551 596937840 /nfs/dbraw/zinc/93/78/40/596937840.db2.gz LRTXUOHQWNGJHG-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000875662551 596937842 /nfs/dbraw/zinc/93/78/42/596937842.db2.gz LRTXUOHQWNGJHG-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000875662551 596937844 /nfs/dbraw/zinc/93/78/44/596937844.db2.gz LRTXUOHQWNGJHG-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000875662551 596937847 /nfs/dbraw/zinc/93/78/47/596937847.db2.gz LRTXUOHQWNGJHG-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000875708094 596954656 /nfs/dbraw/zinc/95/46/56/596954656.db2.gz YFUYUCIBSRFXKO-BRWVUGGUSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000875708094 596954657 /nfs/dbraw/zinc/95/46/57/596954657.db2.gz YFUYUCIBSRFXKO-BRWVUGGUSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000875708094 596954659 /nfs/dbraw/zinc/95/46/59/596954659.db2.gz YFUYUCIBSRFXKO-BRWVUGGUSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000875708094 596954662 /nfs/dbraw/zinc/95/46/62/596954662.db2.gz YFUYUCIBSRFXKO-BRWVUGGUSA-N 2 2 338.496 1.413 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)C12CCC[NH+](CCC1)C2 ZINC000874243518 596983379 /nfs/dbraw/zinc/98/33/79/596983379.db2.gz GXAPSLGGCSAWDY-UHFFFAOYSA-N 2 2 325.416 1.760 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCOCC1 ZINC000874431956 597075449 /nfs/dbraw/zinc/07/54/49/597075449.db2.gz SLTXYOXKFNJKQT-QGZVFWFLSA-N 2 2 346.475 1.111 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(Cl)n1C ZINC000874468145 597093960 /nfs/dbraw/zinc/09/39/60/597093960.db2.gz DNDKGMCZFRHRMD-UHFFFAOYSA-N 2 2 327.860 1.172 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(Cl)n1C ZINC000874468145 597093961 /nfs/dbraw/zinc/09/39/61/597093961.db2.gz DNDKGMCZFRHRMD-UHFFFAOYSA-N 2 2 327.860 1.172 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)[C@@H](C)C1 ZINC000876207704 597137379 /nfs/dbraw/zinc/13/73/79/597137379.db2.gz VLNUCCLLCVYVFI-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)[C@@H](C)C1 ZINC000876207704 597137380 /nfs/dbraw/zinc/13/73/80/597137380.db2.gz VLNUCCLLCVYVFI-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)[C@@H](C)C1 ZINC000876207704 597137382 /nfs/dbraw/zinc/13/73/82/597137382.db2.gz VLNUCCLLCVYVFI-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)[C@@H](C)C1 ZINC000876207704 597137384 /nfs/dbraw/zinc/13/73/84/597137384.db2.gz VLNUCCLLCVYVFI-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000876208943 597137715 /nfs/dbraw/zinc/13/77/15/597137715.db2.gz WNXCTKCEYFXWJH-KRWDZBQOSA-N 2 2 346.475 1.271 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000876208943 597137720 /nfs/dbraw/zinc/13/77/20/597137720.db2.gz WNXCTKCEYFXWJH-KRWDZBQOSA-N 2 2 346.475 1.271 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000874702874 597146733 /nfs/dbraw/zinc/14/67/33/597146733.db2.gz OYLITUQCEUYPJQ-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000874702874 597146736 /nfs/dbraw/zinc/14/67/36/597146736.db2.gz OYLITUQCEUYPJQ-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000874702874 597146738 /nfs/dbraw/zinc/14/67/38/597146738.db2.gz OYLITUQCEUYPJQ-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000874702874 597146739 /nfs/dbraw/zinc/14/67/39/597146739.db2.gz OYLITUQCEUYPJQ-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000876270214 597157024 /nfs/dbraw/zinc/15/70/24/597157024.db2.gz SFTYJLATQKHSDU-GOEBONIOSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccnn1C ZINC000876270214 597157028 /nfs/dbraw/zinc/15/70/28/597157028.db2.gz SFTYJLATQKHSDU-GOEBONIOSA-N 2 2 348.495 1.291 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)[C@H]1CCSC1 ZINC000874893101 597212210 /nfs/dbraw/zinc/21/22/10/597212210.db2.gz OQEYZGWTSABXGG-HOTGVXAUSA-N 2 2 337.464 1.736 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)[C@H]1CCSC1 ZINC000874893101 597212212 /nfs/dbraw/zinc/21/22/12/597212212.db2.gz OQEYZGWTSABXGG-HOTGVXAUSA-N 2 2 337.464 1.736 20 0 EDADLP CC[C@H](Nc1cccnc1Cl)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000876541629 597233472 /nfs/dbraw/zinc/23/34/72/597233472.db2.gz CSLLGISJVJGNCP-NEPJUHHUSA-N 2 2 325.844 1.027 20 0 EDADLP CC[C@H](Nc1cccnc1Cl)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000876541629 597233473 /nfs/dbraw/zinc/23/34/73/597233473.db2.gz CSLLGISJVJGNCP-NEPJUHHUSA-N 2 2 325.844 1.027 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000875000374 597238367 /nfs/dbraw/zinc/23/83/67/597238367.db2.gz ADZIRMMBPHSGPP-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000875000374 597238368 /nfs/dbraw/zinc/23/83/68/597238368.db2.gz ADZIRMMBPHSGPP-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247059 597238931 /nfs/dbraw/zinc/23/89/31/597238931.db2.gz HMVDJXXQYRCABO-ACJLOTCBSA-N 3 2 326.448 1.298 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247059 597238934 /nfs/dbraw/zinc/23/89/34/597238934.db2.gz HMVDJXXQYRCABO-ACJLOTCBSA-N 3 2 326.448 1.298 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000876713940 597300693 /nfs/dbraw/zinc/30/06/93/597300693.db2.gz QQWANJNDBCWHSF-LSDHHAIUSA-N 2 2 345.491 1.930 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000875142834 597300731 /nfs/dbraw/zinc/30/07/31/597300731.db2.gz FQXUIWLHMMEGAY-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000875142834 597300736 /nfs/dbraw/zinc/30/07/36/597300736.db2.gz FQXUIWLHMMEGAY-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000875142834 597300741 /nfs/dbraw/zinc/30/07/41/597300741.db2.gz FQXUIWLHMMEGAY-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000875142834 597300746 /nfs/dbraw/zinc/30/07/46/597300746.db2.gz FQXUIWLHMMEGAY-IXDOHACOSA-N 2 2 340.512 1.517 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876752288 597321972 /nfs/dbraw/zinc/32/19/72/597321972.db2.gz LDXZUZYXHSLJAQ-KBOKABMXSA-N 2 2 343.471 1.895 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876752286 597322005 /nfs/dbraw/zinc/32/20/05/597322005.db2.gz LDXZUZYXHSLJAQ-IJDCCNJMSA-N 2 2 343.471 1.895 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000875286263 597369266 /nfs/dbraw/zinc/36/92/66/597369266.db2.gz HEORLRAMOBOMPW-UHFFFAOYSA-N 2 2 347.463 1.281 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000875345631 597393309 /nfs/dbraw/zinc/39/33/09/597393309.db2.gz HLSSPEJUKUBWOM-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000875345631 597393313 /nfs/dbraw/zinc/39/33/13/597393313.db2.gz HLSSPEJUKUBWOM-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cc(-c2ccc(F)cc2F)on1 ZINC000877346384 597497705 /nfs/dbraw/zinc/49/77/05/597497705.db2.gz CLFJAVZHEPQNMB-AWEZNQCLSA-N 2 2 338.358 1.515 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000877432787 597514734 /nfs/dbraw/zinc/51/47/34/597514734.db2.gz HCJNAMWCXZWJJZ-GJZGRUSLSA-N 2 2 325.840 1.567 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000877432787 597514736 /nfs/dbraw/zinc/51/47/36/597514736.db2.gz HCJNAMWCXZWJJZ-GJZGRUSLSA-N 2 2 325.840 1.567 20 0 EDADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cnc(NC(=O)OC(C)(C)C)cn3)C[C@@H]2C1 ZINC000877482185 597523164 /nfs/dbraw/zinc/52/31/64/597523164.db2.gz APXSHLUCFLOJDP-BETUJISGSA-N 2 2 333.436 1.817 20 0 EDADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnc(NC(=O)OC(C)(C)C)cn3)C[C@@H]2C1 ZINC000877482185 597523166 /nfs/dbraw/zinc/52/31/66/597523166.db2.gz APXSHLUCFLOJDP-BETUJISGSA-N 2 2 333.436 1.817 20 0 EDADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnc(NC(=O)OC(C)(C)C)cn3)C[C@@H]2C1 ZINC000877482185 597523168 /nfs/dbraw/zinc/52/31/68/597523168.db2.gz APXSHLUCFLOJDP-BETUJISGSA-N 2 2 333.436 1.817 20 0 EDADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cnc(NC(=O)OC(C)(C)C)cn3)C[C@@H]2C1 ZINC000877482185 597523169 /nfs/dbraw/zinc/52/31/69/597523169.db2.gz APXSHLUCFLOJDP-BETUJISGSA-N 2 2 333.436 1.817 20 0 EDADLP CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877541746 597533090 /nfs/dbraw/zinc/53/30/90/597533090.db2.gz LYUUPPLYZRMUHK-SFHVURJKSA-N 2 2 334.460 1.743 20 0 EDADLP CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877541746 597533091 /nfs/dbraw/zinc/53/30/91/597533091.db2.gz LYUUPPLYZRMUHK-SFHVURJKSA-N 2 2 334.460 1.743 20 0 EDADLP COC(=O)c1oc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1C ZINC000877746873 597552758 /nfs/dbraw/zinc/55/27/58/597552758.db2.gz LGDCJVCLJUOGDA-UHFFFAOYSA-N 2 2 335.448 1.586 20 0 EDADLP COc1c(C)c[nH+]c(CN2CCC([NH+]3CCN(C)CC3)CC2)c1C ZINC000877747285 597552969 /nfs/dbraw/zinc/55/29/69/597552969.db2.gz YKIHDFFTSKKEBX-UHFFFAOYSA-N 2 2 332.492 1.919 20 0 EDADLP COc1c(C)cnc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1C ZINC000877747285 597552970 /nfs/dbraw/zinc/55/29/70/597552970.db2.gz YKIHDFFTSKKEBX-UHFFFAOYSA-N 2 2 332.492 1.919 20 0 EDADLP C[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000877893709 597562204 /nfs/dbraw/zinc/56/22/04/597562204.db2.gz SXFWSIJCVZJRGZ-UHFFFAOYSA-N 2 2 336.505 1.076 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878109067 597579311 /nfs/dbraw/zinc/57/93/11/597579311.db2.gz MLUGCRRRFLRFJL-MOPGFXCFSA-N 2 2 336.476 1.250 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878109067 597579312 /nfs/dbraw/zinc/57/93/12/597579312.db2.gz MLUGCRRRFLRFJL-MOPGFXCFSA-N 2 2 336.476 1.250 20 0 EDADLP F[C@@H]1C[NH2+][C@H](CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000883422224 597741231 /nfs/dbraw/zinc/74/12/31/597741231.db2.gz IFKFZLYUMUVDDG-HOTGVXAUSA-N 2 2 335.423 1.275 20 0 EDADLP NC(=O)[C@H](F)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000879040714 597796568 /nfs/dbraw/zinc/79/65/68/597796568.db2.gz GIISQXZUODHCGT-IEBWSBKVSA-N 2 2 349.450 1.159 20 0 EDADLP NC(=O)[C@H](F)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000879040714 597796570 /nfs/dbraw/zinc/79/65/70/597796570.db2.gz GIISQXZUODHCGT-IEBWSBKVSA-N 2 2 349.450 1.159 20 0 EDADLP COc1cc(C[NH2+]CCn2cc[nH+]c2)cc(Cl)c1OCC(N)=O ZINC000028304678 597823648 /nfs/dbraw/zinc/82/36/48/597823648.db2.gz XFKBBZQQKWUHDU-UHFFFAOYSA-N 2 2 338.795 1.199 20 0 EDADLP CCOC(=O)c1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000881976621 597824513 /nfs/dbraw/zinc/82/45/13/597824513.db2.gz BHBHVIDBRPSEIM-CQSZACIVSA-N 2 2 347.463 1.542 20 0 EDADLP CCOC(=O)c1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000881976621 597824515 /nfs/dbraw/zinc/82/45/15/597824515.db2.gz BHBHVIDBRPSEIM-CQSZACIVSA-N 2 2 347.463 1.542 20 0 EDADLP CN(C(=O)c1cccn2nccc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167691 597838918 /nfs/dbraw/zinc/83/89/18/597838918.db2.gz RHKIQOZKQXBWMY-MRXNPFEDSA-N 2 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1cccn2nccc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167691 597838919 /nfs/dbraw/zinc/83/89/19/597838919.db2.gz RHKIQOZKQXBWMY-MRXNPFEDSA-N 2 2 341.459 1.575 20 0 EDADLP CN(C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(C[NH3+])CCCCC1 ZINC000883653239 597849114 /nfs/dbraw/zinc/84/91/14/597849114.db2.gz PFAPLQPSMUOLSD-AWEZNQCLSA-N 2 2 347.463 1.236 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H](CF)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000880232321 597878302 /nfs/dbraw/zinc/87/83/02/597878302.db2.gz LAQJYJWLEAFTKF-INIZCTEOSA-N 2 2 334.439 1.802 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H](CF)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000880232321 597878304 /nfs/dbraw/zinc/87/83/04/597878304.db2.gz LAQJYJWLEAFTKF-INIZCTEOSA-N 2 2 334.439 1.802 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880236123 597879237 /nfs/dbraw/zinc/87/92/37/597879237.db2.gz VMVNAPBIIIDQKK-HZPDHXFCSA-N 2 2 334.439 1.800 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](CF)C1 ZINC000880236123 597879238 /nfs/dbraw/zinc/87/92/38/597879238.db2.gz VMVNAPBIIIDQKK-HZPDHXFCSA-N 2 2 334.439 1.800 20 0 EDADLP CO[C@H](C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)C1CCCC1 ZINC000880252819 597883363 /nfs/dbraw/zinc/88/33/63/597883363.db2.gz DTBHUKUCWOUJFP-QGZVFWFLSA-N 2 2 337.508 1.997 20 0 EDADLP Cc1cccc(C(=O)NC2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC000879350553 597895649 /nfs/dbraw/zinc/89/56/49/597895649.db2.gz KPMGXMLUGXGNKJ-LJQANCHMSA-N 2 2 347.503 1.890 20 0 EDADLP Cc1cccc(C(=O)NC2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC000879350553 597895651 /nfs/dbraw/zinc/89/56/51/597895651.db2.gz KPMGXMLUGXGNKJ-LJQANCHMSA-N 2 2 347.503 1.890 20 0 EDADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)NCC(F)(F)F ZINC000880568537 597966479 /nfs/dbraw/zinc/96/64/79/597966479.db2.gz BQJVVXKCEKIILL-CYBMUJFWSA-N 2 2 326.322 1.893 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)n(C)n1 ZINC000880568695 597966759 /nfs/dbraw/zinc/96/67/59/597966759.db2.gz CXZPEKRLRNEGCZ-MRXNPFEDSA-N 2 2 338.415 1.895 20 0 EDADLP Cc1ccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000133744068 597997482 /nfs/dbraw/zinc/99/74/82/597997482.db2.gz JPZRSSBQMGACGN-UHFFFAOYSA-N 2 2 328.416 1.812 20 0 EDADLP C[C@@H](CNC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)Cn1cc[nH+]c1 ZINC000884196480 598023894 /nfs/dbraw/zinc/02/38/94/598023894.db2.gz SAILBGCEUOMCIA-XJKSGUPXSA-N 2 2 326.400 1.952 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884207101 598029413 /nfs/dbraw/zinc/02/94/13/598029413.db2.gz MMNPOWPVHYPVHQ-ZDUSSCGKSA-N 2 2 337.221 1.770 20 0 EDADLP Cc1csc([C@@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000134275790 598076315 /nfs/dbraw/zinc/07/63/15/598076315.db2.gz NIUJJMDBXGWRHR-CYBMUJFWSA-N 2 2 332.477 1.844 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000130346350 598091325 /nfs/dbraw/zinc/09/13/25/598091325.db2.gz AORADHJAIMNDPN-NSHDSACASA-N 2 2 349.460 1.701 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000130346350 598091329 /nfs/dbraw/zinc/09/13/29/598091329.db2.gz AORADHJAIMNDPN-NSHDSACASA-N 2 2 349.460 1.701 20 0 EDADLP [NH3+]C1(CNC(=O)c2c[nH+]ccc2Nc2ccccc2)CCOCC1 ZINC000884432444 598103603 /nfs/dbraw/zinc/10/36/03/598103603.db2.gz FANKBIPLQZDWQL-UHFFFAOYSA-N 2 2 326.400 1.485 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825390875 608735064 /nfs/dbraw/zinc/73/50/64/608735064.db2.gz OMEAOBDFBAPJGG-CYBMUJFWSA-N 2 2 340.435 1.288 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825390875 608735066 /nfs/dbraw/zinc/73/50/66/608735066.db2.gz OMEAOBDFBAPJGG-CYBMUJFWSA-N 2 2 340.435 1.288 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825390875 608735068 /nfs/dbraw/zinc/73/50/68/608735068.db2.gz OMEAOBDFBAPJGG-CYBMUJFWSA-N 2 2 340.435 1.288 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825390875 608735069 /nfs/dbraw/zinc/73/50/69/608735069.db2.gz OMEAOBDFBAPJGG-CYBMUJFWSA-N 2 2 340.435 1.288 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccns2)[C@H]1C ZINC000994297416 696725824 /nfs/dbraw/zinc/72/58/24/696725824.db2.gz GHRCUKHVUSSVBL-DZGCQCFKSA-N 2 2 347.488 1.929 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccns2)[C@H]1C ZINC000994297416 696725827 /nfs/dbraw/zinc/72/58/27/696725827.db2.gz GHRCUKHVUSSVBL-DZGCQCFKSA-N 2 2 347.488 1.929 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000914076244 695071941 /nfs/dbraw/zinc/07/19/41/695071941.db2.gz SWOFRNVYZCUKLE-ZDUSSCGKSA-N 2 2 339.509 1.736 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000914076244 695071944 /nfs/dbraw/zinc/07/19/44/695071944.db2.gz SWOFRNVYZCUKLE-ZDUSSCGKSA-N 2 2 339.509 1.736 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000914274902 695329397 /nfs/dbraw/zinc/32/93/97/695329397.db2.gz AZTOYNXJWSJRES-HNNXBMFYSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939856974 699996123 /nfs/dbraw/zinc/99/61/23/699996123.db2.gz RBZRDEYQAUKJGQ-OCCSQVGLSA-N 2 2 333.823 1.568 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)on1 ZINC000992828199 695385918 /nfs/dbraw/zinc/38/59/18/695385918.db2.gz BTANLNNPDYNPLL-RRQGHBQHSA-N 2 2 343.431 1.666 20 0 EDADLP COCc1ccc(C[NH+]2CC(NC(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC001031051406 695387029 /nfs/dbraw/zinc/38/70/29/695387029.db2.gz ZEVRZELJEDUDGM-UHFFFAOYSA-N 2 2 345.487 1.865 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992870695 695423318 /nfs/dbraw/zinc/42/33/18/695423318.db2.gz DLGANGDUTQSOBX-RRFJBIMHSA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cncs3)[C@H]2C1 ZINC000992878759 695427331 /nfs/dbraw/zinc/42/73/31/695427331.db2.gz RXXLIMGNYJMFLP-AEGPPILISA-N 2 2 345.472 1.826 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnns3)[C@@H]2C1 ZINC000992927583 695458143 /nfs/dbraw/zinc/45/81/43/695458143.db2.gz XTOCASQBUKVIHW-NWANDNLSSA-N 2 2 346.460 1.152 20 0 EDADLP CC[C@@H](C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1)[NH+](C)C ZINC001060765212 700020421 /nfs/dbraw/zinc/02/04/21/700020421.db2.gz WCGZAALNNOEPBI-DZKIICNBSA-N 2 2 349.479 1.084 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)CC2)cc1 ZINC000915046847 695722039 /nfs/dbraw/zinc/72/20/39/695722039.db2.gz TVVDYRWYUOKDBE-OALUTQOASA-N 2 2 345.487 1.612 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)CC2)cc1 ZINC000915046847 695722041 /nfs/dbraw/zinc/72/20/41/695722041.db2.gz TVVDYRWYUOKDBE-OALUTQOASA-N 2 2 345.487 1.612 20 0 EDADLP CCC[C@@H](O)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915500449 695936439 /nfs/dbraw/zinc/93/64/39/695936439.db2.gz LEARHHRYCPOSRF-QGZVFWFLSA-N 2 2 340.512 1.395 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@H+](CCCO)[C@H]3C)ccn12 ZINC000993354611 696003071 /nfs/dbraw/zinc/00/30/71/696003071.db2.gz SFLDMYBINOZSAI-HOCLYGCPSA-N 2 2 330.432 1.608 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@@H+](CCCO)[C@H]3C)ccn12 ZINC000993354611 696003073 /nfs/dbraw/zinc/00/30/73/696003073.db2.gz SFLDMYBINOZSAI-HOCLYGCPSA-N 2 2 330.432 1.608 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3ccc4ncccc4c3)C2)C1 ZINC001031252429 696015212 /nfs/dbraw/zinc/01/52/12/696015212.db2.gz GHQOCUYZSMWTIW-INIZCTEOSA-N 2 2 338.455 1.877 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3ccc4ncccc4c3)C2)C1 ZINC001031252429 696015217 /nfs/dbraw/zinc/01/52/17/696015217.db2.gz GHQOCUYZSMWTIW-INIZCTEOSA-N 2 2 338.455 1.877 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000995152348 701549493 /nfs/dbraw/zinc/54/94/93/701549493.db2.gz LDSMURAXENDNBB-KBPBESRZSA-N 2 2 343.431 1.431 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2oc(C)nc2C)[C@@H]1C ZINC000993612730 696259138 /nfs/dbraw/zinc/25/91/38/696259138.db2.gz JVNZMKAGSKMEPC-GDBMZVCRSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccnn2C)[C@@H]1C ZINC000993626543 696290208 /nfs/dbraw/zinc/29/02/08/696290208.db2.gz VMGOUXVFITVKOB-GDBMZVCRSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnn2C)[C@@H]1C ZINC000993626543 696290210 /nfs/dbraw/zinc/29/02/10/696290210.db2.gz VMGOUXVFITVKOB-GDBMZVCRSA-N 2 2 330.436 1.094 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015705536 696597685 /nfs/dbraw/zinc/59/76/85/696597685.db2.gz MXOHWEYPFPFYFA-INIZCTEOSA-N 2 2 346.475 1.513 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001015705536 696597687 /nfs/dbraw/zinc/59/76/87/696597687.db2.gz MXOHWEYPFPFYFA-INIZCTEOSA-N 2 2 346.475 1.513 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001015705536 696597690 /nfs/dbraw/zinc/59/76/90/696597690.db2.gz MXOHWEYPFPFYFA-INIZCTEOSA-N 2 2 346.475 1.513 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015705536 696597692 /nfs/dbraw/zinc/59/76/92/696597692.db2.gz MXOHWEYPFPFYFA-INIZCTEOSA-N 2 2 346.475 1.513 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001015707258 696615005 /nfs/dbraw/zinc/61/50/05/696615005.db2.gz UZRQVHXZDMSWPX-ZFWWWQNUSA-N 2 2 339.871 1.211 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001015707258 696615006 /nfs/dbraw/zinc/61/50/06/696615006.db2.gz UZRQVHXZDMSWPX-ZFWWWQNUSA-N 2 2 339.871 1.211 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001015707258 696615008 /nfs/dbraw/zinc/61/50/08/696615008.db2.gz UZRQVHXZDMSWPX-ZFWWWQNUSA-N 2 2 339.871 1.211 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001015707258 696615011 /nfs/dbraw/zinc/61/50/11/696615011.db2.gz UZRQVHXZDMSWPX-ZFWWWQNUSA-N 2 2 339.871 1.211 20 0 EDADLP Cc1ncccc1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994403285 696826106 /nfs/dbraw/zinc/82/61/06/696826106.db2.gz BQTCTROYHJDVHM-WMZOPIPTSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994403285 696826111 /nfs/dbraw/zinc/82/61/11/696826111.db2.gz BQTCTROYHJDVHM-WMZOPIPTSA-N 2 2 330.476 1.955 20 0 EDADLP COc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994413635 696839159 /nfs/dbraw/zinc/83/91/59/696839159.db2.gz WYCKIIUIRMMCFR-DOTOQJQBSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994413635 696839163 /nfs/dbraw/zinc/83/91/63/696839163.db2.gz WYCKIIUIRMMCFR-DOTOQJQBSA-N 2 2 346.475 1.655 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000917634015 697055989 /nfs/dbraw/zinc/05/59/89/697055989.db2.gz IDKQVHCAPFWOCT-LSDHHAIUSA-N 2 2 332.452 1.066 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000917634015 697055991 /nfs/dbraw/zinc/05/59/91/697055991.db2.gz IDKQVHCAPFWOCT-LSDHHAIUSA-N 2 2 332.452 1.066 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC(C)(C)/C=C/Cl)C2)CC1 ZINC000918906692 697222503 /nfs/dbraw/zinc/22/25/03/697222503.db2.gz QNTVZMSWVDOMOU-SBDDDAINSA-N 2 2 328.888 1.985 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC(C)(C)/C=C/Cl)C2)CC1 ZINC000918906692 697222504 /nfs/dbraw/zinc/22/25/04/697222504.db2.gz QNTVZMSWVDOMOU-SBDDDAINSA-N 2 2 328.888 1.985 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@]3(C)CCCCO3)C2)CC1 ZINC000918906132 697222603 /nfs/dbraw/zinc/22/26/03/697222603.db2.gz LUUFDOCAWSOOGK-MAUKXSAKSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@]3(C)CCCCO3)C2)CC1 ZINC000918906132 697222605 /nfs/dbraw/zinc/22/26/05/697222605.db2.gz LUUFDOCAWSOOGK-MAUKXSAKSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031594200 697293621 /nfs/dbraw/zinc/29/36/21/697293621.db2.gz AMTOOSKTQOLSGJ-QGZVFWFLSA-N 2 2 335.423 1.013 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031594200 697293622 /nfs/dbraw/zinc/29/36/22/697293622.db2.gz AMTOOSKTQOLSGJ-QGZVFWFLSA-N 2 2 335.423 1.013 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083716 700178047 /nfs/dbraw/zinc/17/80/47/700178047.db2.gz UIXDCUXTFFGXIH-HNAYVOBHSA-N 2 2 346.475 1.740 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)o1 ZINC000943178982 697876623 /nfs/dbraw/zinc/87/66/23/697876623.db2.gz WFQAQXQFTGLFQA-ABAIWWIYSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)o1 ZINC000943178982 697876627 /nfs/dbraw/zinc/87/66/27/697876627.db2.gz WFQAQXQFTGLFQA-ABAIWWIYSA-N 2 2 331.420 1.584 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001031744930 698350167 /nfs/dbraw/zinc/35/01/67/698350167.db2.gz XHEKULVKMOAZLE-NUEKZKHPSA-N 2 2 332.448 1.378 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001031744930 698350173 /nfs/dbraw/zinc/35/01/73/698350173.db2.gz XHEKULVKMOAZLE-NUEKZKHPSA-N 2 2 332.448 1.378 20 0 EDADLP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)cn1 ZINC000943767193 698837176 /nfs/dbraw/zinc/83/71/76/698837176.db2.gz RWSDOGWLWPYZKR-HOCLYGCPSA-N 2 2 344.463 1.238 20 0 EDADLP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)cn1 ZINC000943767193 698837181 /nfs/dbraw/zinc/83/71/81/698837181.db2.gz RWSDOGWLWPYZKR-HOCLYGCPSA-N 2 2 344.463 1.238 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC000995152680 701557870 /nfs/dbraw/zinc/55/78/70/701557870.db2.gz MLZFATDCBXHQGB-ZIAGYGMSSA-N 2 2 345.451 1.199 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000995153461 701558718 /nfs/dbraw/zinc/55/87/18/701558718.db2.gz PQJSPMGBVJQGLH-OCCSQVGLSA-N 2 2 343.431 1.892 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995156138 701559636 /nfs/dbraw/zinc/55/96/36/701559636.db2.gz WESPMFXFQOFGKH-KBPBESRZSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766719 699065123 /nfs/dbraw/zinc/06/51/23/699065123.db2.gz MHCOVZGEVSXBGN-AEFFLSMTSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766719 699065126 /nfs/dbraw/zinc/06/51/26/699065126.db2.gz MHCOVZGEVSXBGN-AEFFLSMTSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1ncoc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995159342 701571717 /nfs/dbraw/zinc/57/17/17/701571717.db2.gz IRNFLHXFJYHHAF-KBPBESRZSA-N 2 2 331.420 1.334 20 0 EDADLP O=C(NCC1C[NH+](CCC(F)(F)F)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784611 699203902 /nfs/dbraw/zinc/20/39/02/699203902.db2.gz WOQQABNWOBXBIF-LBPRGKRZSA-N 2 2 330.354 1.446 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001031782787 699204393 /nfs/dbraw/zinc/20/43/93/699204393.db2.gz LYFGQJLNXCQQCH-HOTGVXAUSA-N 2 2 332.448 1.063 20 0 EDADLP COCc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c1 ZINC000939211645 699360051 /nfs/dbraw/zinc/36/00/51/699360051.db2.gz UHXKIWMVEAZFJV-KDOFPFPSSA-N 2 2 342.443 1.735 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941587973 701591237 /nfs/dbraw/zinc/59/12/37/701591237.db2.gz YQBYEIDOTPQVPH-MRXNPFEDSA-N 2 2 333.480 1.463 20 0 EDADLP CC(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941587672 701591259 /nfs/dbraw/zinc/59/12/59/701591259.db2.gz UOSPAOXGBQMKMF-MRXNPFEDSA-N 2 2 333.480 1.319 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)o1 ZINC001031806684 699432111 /nfs/dbraw/zinc/43/21/11/699432111.db2.gz LHTPAOBTDNKOIM-KRWDZBQOSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)o1 ZINC001031806684 699432112 /nfs/dbraw/zinc/43/21/12/699432112.db2.gz LHTPAOBTDNKOIM-KRWDZBQOSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1oncc1C[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817171 699519647 /nfs/dbraw/zinc/51/96/47/699519647.db2.gz RRUUEOHXZPEQJQ-UHFFFAOYSA-N 2 2 325.372 1.493 20 0 EDADLP CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)n1 ZINC000939407257 699561791 /nfs/dbraw/zinc/56/17/91/699561791.db2.gz AUPJZAVFQVPFGO-DZGCQCFKSA-N 2 2 343.431 1.383 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000939413379 699566523 /nfs/dbraw/zinc/56/65/23/699566523.db2.gz MARGGBYNQVHAPZ-CJNGLKHVSA-N 2 2 330.407 1.771 20 0 EDADLP CC(C)C[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000939465246 699598631 /nfs/dbraw/zinc/59/86/31/699598631.db2.gz YCZWOWFSNMJHMG-RHSMWYFYSA-N 2 2 327.432 1.973 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1[NH2+]CC1CC1 ZINC000939528007 699666585 /nfs/dbraw/zinc/66/65/85/699666585.db2.gz GLKLVHKCTNSMTP-SUMWQHHRSA-N 2 2 325.416 1.727 20 0 EDADLP CC(C)C[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000939530971 699668846 /nfs/dbraw/zinc/66/88/46/699668846.db2.gz SSFQICIIWXPXGB-YOEHRIQHSA-N 2 2 327.432 1.973 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000939533505 699671143 /nfs/dbraw/zinc/67/11/43/699671143.db2.gz AHQKMUKRVOQGMP-PXAZEXFGSA-N 2 2 348.397 1.878 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939535828 699676890 /nfs/dbraw/zinc/67/68/90/699676890.db2.gz SBJOYPPUASWCIF-HIFRSBDPSA-N 2 2 327.432 1.719 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939538974 699679772 /nfs/dbraw/zinc/67/97/72/699679772.db2.gz AAOKADXZSARTSC-DOMZBBRYSA-N 2 2 345.422 1.858 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000939541998 699683050 /nfs/dbraw/zinc/68/30/50/699683050.db2.gz QRWRLBPMDBVWGL-WFASDCNBSA-N 2 2 345.422 1.858 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC000939621890 699758586 /nfs/dbraw/zinc/75/85/86/699758586.db2.gz FXZVAROLSKWCMM-ABAIWWIYSA-N 2 2 347.850 1.946 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)s1 ZINC000939640946 699770273 /nfs/dbraw/zinc/77/02/73/699770273.db2.gz BUKPLUIBPHSQOO-WBMJQRKESA-N 2 2 347.488 1.754 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccn(C(C)C)n2)[C@@H](C)C1 ZINC000939757065 699923946 /nfs/dbraw/zinc/92/39/46/699923946.db2.gz XENCTKNIEOWRSG-YOEHRIQHSA-N 2 2 344.463 1.606 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH+]ccn3C)CC2)o1 ZINC000940228865 700394202 /nfs/dbraw/zinc/39/42/02/700394202.db2.gz SGOPAFHIYWHRKM-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]C2(C)CCN(C(=O)CCc3[nH+]ccn3C)CC2)O1 ZINC000940228840 700394259 /nfs/dbraw/zinc/39/42/59/700394259.db2.gz RYZAQSBHIHECRS-HZPDHXFCSA-N 2 2 348.491 1.891 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)nn1C ZINC000940243594 700405092 /nfs/dbraw/zinc/40/50/92/700405092.db2.gz YHOCCUPVWXKEJE-UHFFFAOYSA-N 2 2 344.463 1.486 20 0 EDADLP CC1([NH2+]Cc2cncc(F)c2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940356821 700518504 /nfs/dbraw/zinc/51/85/04/700518504.db2.gz ZQWPVJAETSEWHY-UHFFFAOYSA-N 2 2 331.395 1.657 20 0 EDADLP C[C@H]1CC[C@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)O1 ZINC000940425982 700619278 /nfs/dbraw/zinc/61/92/78/700619278.db2.gz ARNBPPUSKAIWNG-GOEBONIOSA-N 2 2 334.464 1.501 20 0 EDADLP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000940441313 700642740 /nfs/dbraw/zinc/64/27/40/700642740.db2.gz DCHIRNKMAGCTMO-UHFFFAOYSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)on1 ZINC000940441728 700643395 /nfs/dbraw/zinc/64/33/95/700643395.db2.gz QXJZFNLMOVSMBI-UHFFFAOYSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC000940522465 700709107 /nfs/dbraw/zinc/70/91/07/700709107.db2.gz KDVPHZTUSHSQNO-HZPDHXFCSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC000940522465 700709108 /nfs/dbraw/zinc/70/91/08/700709108.db2.gz KDVPHZTUSHSQNO-HZPDHXFCSA-N 2 2 344.459 1.289 20 0 EDADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867631 700948849 /nfs/dbraw/zinc/94/88/49/700948849.db2.gz GVBNJPGMMGCKSD-IUODEOHRSA-N 2 2 343.431 1.038 20 0 EDADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867631 700948851 /nfs/dbraw/zinc/94/88/51/700948851.db2.gz GVBNJPGMMGCKSD-IUODEOHRSA-N 2 2 343.431 1.038 20 0 EDADLP COc1nscc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995108610 700966361 /nfs/dbraw/zinc/96/63/61/700966361.db2.gz UYCNKXTXOVAVFY-WCQYABFASA-N 2 2 349.460 1.492 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)sn1 ZINC000995112337 701011495 /nfs/dbraw/zinc/01/14/95/701011495.db2.gz CIGUYNKCPHPGPA-NEPJUHHUSA-N 2 2 349.460 1.492 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000941063062 701110626 /nfs/dbraw/zinc/11/06/26/701110626.db2.gz BBWBIIRVSXHMJZ-UONOGXRCSA-N 2 2 349.479 1.097 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(N)=O)CC1(C)C ZINC000941063062 701110627 /nfs/dbraw/zinc/11/06/27/701110627.db2.gz BBWBIIRVSXHMJZ-UONOGXRCSA-N 2 2 349.479 1.097 20 0 EDADLP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247139 701424012 /nfs/dbraw/zinc/42/40/12/701424012.db2.gz DKHIQLIKIRWREM-INIZCTEOSA-N 2 2 344.463 1.076 20 0 EDADLP Cn1nccc1CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247139 701424013 /nfs/dbraw/zinc/42/40/13/701424013.db2.gz DKHIQLIKIRWREM-INIZCTEOSA-N 2 2 344.463 1.076 20 0 EDADLP CC1(C)C[N@H+](CCC[C@@H]2CCOC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247430 701424155 /nfs/dbraw/zinc/42/41/55/701424155.db2.gz KXYPWUVLMLXRLW-IAGOWNOFSA-N 2 2 348.491 1.917 20 0 EDADLP CC1(C)C[N@@H+](CCC[C@@H]2CCOC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247430 701424156 /nfs/dbraw/zinc/42/41/56/701424156.db2.gz KXYPWUVLMLXRLW-IAGOWNOFSA-N 2 2 348.491 1.917 20 0 EDADLP CCCn1ncnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995148019 701528399 /nfs/dbraw/zinc/52/83/99/701528399.db2.gz AASYZWAFTIOXMR-UONOGXRCSA-N 2 2 345.451 1.028 20 0 EDADLP Cc1conc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995182619 702087070 /nfs/dbraw/zinc/08/70/70/702087070.db2.gz JJXWJOIBCUOKPM-ZIAGYGMSSA-N 2 2 331.420 1.632 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995830787 702105402 /nfs/dbraw/zinc/10/54/02/702105402.db2.gz IJBQDMVBTSFHFY-MGPQQGTHSA-N 2 2 349.479 1.299 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995830787 702105404 /nfs/dbraw/zinc/10/54/04/702105404.db2.gz IJBQDMVBTSFHFY-MGPQQGTHSA-N 2 2 349.479 1.299 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC000995186991 702193358 /nfs/dbraw/zinc/19/33/58/702193358.db2.gz QYGARWHECFOYTJ-ZBFHGGJFSA-N 2 2 342.447 1.434 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995900808 702207010 /nfs/dbraw/zinc/20/70/10/702207010.db2.gz ZPINFIZJKRUCOG-CZUORRHYSA-N 2 2 349.479 1.299 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)on1 ZINC000944097765 702264589 /nfs/dbraw/zinc/26/45/89/702264589.db2.gz KQWCDSUWHDWFBR-WBMJQRKESA-N 2 2 331.420 1.286 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)on1 ZINC000944097765 702264592 /nfs/dbraw/zinc/26/45/92/702264592.db2.gz KQWCDSUWHDWFBR-WBMJQRKESA-N 2 2 331.420 1.286 20 0 EDADLP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944123474 702296554 /nfs/dbraw/zinc/29/65/54/702296554.db2.gz USRKQKUOCIOFJX-GDBMZVCRSA-N 2 2 343.431 1.090 20 0 EDADLP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944123474 702296555 /nfs/dbraw/zinc/29/65/55/702296555.db2.gz USRKQKUOCIOFJX-GDBMZVCRSA-N 2 2 343.431 1.090 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC000995194394 702400013 /nfs/dbraw/zinc/40/00/13/702400013.db2.gz GBNHGMCJTRGOEA-HZPDHXFCSA-N 2 2 342.447 1.365 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)o1 ZINC000996106934 702530091 /nfs/dbraw/zinc/53/00/91/702530091.db2.gz QWPBYHRJEKRIQU-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032666113 706679577 /nfs/dbraw/zinc/67/95/77/706679577.db2.gz WVDUCNSJMABGNJ-IRXDYDNUSA-N 2 2 346.475 1.754 20 0 EDADLP CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032666113 706679581 /nfs/dbraw/zinc/67/95/81/706679581.db2.gz WVDUCNSJMABGNJ-IRXDYDNUSA-N 2 2 346.475 1.754 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)s1 ZINC000996457578 702801820 /nfs/dbraw/zinc/80/18/20/702801820.db2.gz OZHFLVLYUBGMKF-ZDUSSCGKSA-N 2 2 333.461 1.744 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000996458324 702803086 /nfs/dbraw/zinc/80/30/86/702803086.db2.gz ULJACRNOZGYEEC-CABCVRRESA-N 2 2 334.464 1.738 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000996512078 702831516 /nfs/dbraw/zinc/83/15/16/702831516.db2.gz AFESBDYLYCEFIT-MRXNPFEDSA-N 2 2 345.422 1.524 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996513245 702832556 /nfs/dbraw/zinc/83/25/56/702832556.db2.gz HQSDTVWWOUEOEO-CQSZACIVSA-N 2 2 348.476 1.149 20 0 EDADLP CCc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996613712 702918810 /nfs/dbraw/zinc/91/88/10/702918810.db2.gz WXYIQVWZPFXQPF-UONOGXRCSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1csc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC000996652465 702942319 /nfs/dbraw/zinc/94/23/19/702942319.db2.gz VYFQSSYTFDMFIE-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1csc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC000996652465 702942321 /nfs/dbraw/zinc/94/23/21/702942321.db2.gz VYFQSSYTFDMFIE-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1ccccc1OCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032315849 702980348 /nfs/dbraw/zinc/98/03/48/702980348.db2.gz YJZQCPOUDXQEAX-OKZBNKHCSA-N 2 2 343.471 1.753 20 0 EDADLP Cc1ccccc1OCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001032315849 702980351 /nfs/dbraw/zinc/98/03/51/702980351.db2.gz YJZQCPOUDXQEAX-OKZBNKHCSA-N 2 2 343.471 1.753 20 0 EDADLP Cc1ccccc1OCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001032315849 702980355 /nfs/dbraw/zinc/98/03/55/702980355.db2.gz YJZQCPOUDXQEAX-OKZBNKHCSA-N 2 2 343.471 1.753 20 0 EDADLP CC1(C)CO[C@H](C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000996684353 702982282 /nfs/dbraw/zinc/98/22/82/702982282.db2.gz KPRWUFQVZZCDDJ-ARFHVFGLSA-N 2 2 346.475 1.909 20 0 EDADLP CC1(C)CO[C@H](C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC000996684353 702982285 /nfs/dbraw/zinc/98/22/85/702982285.db2.gz KPRWUFQVZZCDDJ-ARFHVFGLSA-N 2 2 346.475 1.909 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000996711882 703006495 /nfs/dbraw/zinc/00/64/95/703006495.db2.gz CGWLNFPSVYOIOX-DLBZAZTESA-N 2 2 348.491 1.651 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000996712879 703007792 /nfs/dbraw/zinc/00/77/92/703007792.db2.gz HYGSXTZEUPYCNE-JKSUJKDBSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000996712859 703007914 /nfs/dbraw/zinc/00/79/14/703007914.db2.gz HLDCGGKUSQGDLP-QGZVFWFLSA-N 2 2 342.443 1.402 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC000942517824 703012167 /nfs/dbraw/zinc/01/21/67/703012167.db2.gz HCDJWTPLWXJDPZ-DOMZBBRYSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC000942517824 703012169 /nfs/dbraw/zinc/01/21/69/703012169.db2.gz HCDJWTPLWXJDPZ-DOMZBBRYSA-N 2 2 347.488 1.983 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942518761 703020014 /nfs/dbraw/zinc/02/00/14/703020014.db2.gz WIAIOFQOOWWTGE-GOEBONIOSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942518761 703020016 /nfs/dbraw/zinc/02/00/16/703020016.db2.gz WIAIOFQOOWWTGE-GOEBONIOSA-N 2 2 344.463 1.435 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000996728548 703023589 /nfs/dbraw/zinc/02/35/89/703023589.db2.gz BWCNDTUWTKDPIJ-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996735411 703032065 /nfs/dbraw/zinc/03/20/65/703032065.db2.gz BWFZHFUVNXOARW-RDJZCZTQSA-N 2 2 346.475 1.595 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996758447 703046988 /nfs/dbraw/zinc/04/69/88/703046988.db2.gz OPVWRTUOMYCQDF-GJZGRUSLSA-N 2 2 332.448 1.063 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996798783 703084889 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Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)cn1 ZINC001032042939 703210605 /nfs/dbraw/zinc/21/06/05/703210605.db2.gz PASUILZIMXGGKM-ROUUACIJSA-N 2 2 343.475 1.350 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032044136 703234890 /nfs/dbraw/zinc/23/48/90/703234890.db2.gz QPNHNXSZNCVALG-ZWKOTPCHSA-N 2 2 346.450 1.786 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032044136 703234893 /nfs/dbraw/zinc/23/48/93/703234893.db2.gz QPNHNXSZNCVALG-ZWKOTPCHSA-N 2 2 346.450 1.786 20 0 EDADLP COc1ccc(CC[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000997036553 703288431 /nfs/dbraw/zinc/28/84/31/703288431.db2.gz NAVVUPSICSUABK-UHFFFAOYSA-N 2 2 342.443 1.784 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)s1 ZINC000997039600 703290593 /nfs/dbraw/zinc/29/05/93/703290593.db2.gz DRWUJJKMDRCDQV-JTQLQIEISA-N 2 2 334.449 1.454 20 0 EDADLP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997082856 703320735 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EDADLP C[C@H](CC(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1)n1cc[nH+]c1 ZINC000997391696 703658442 /nfs/dbraw/zinc/65/84/42/703658442.db2.gz GBZGWQVJUIDIIP-CQSZACIVSA-N 2 2 347.463 1.036 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000997412575 703668215 /nfs/dbraw/zinc/66/82/15/703668215.db2.gz GGPSSOWRGXQPPI-UHFFFAOYSA-N 2 2 334.370 1.942 20 0 EDADLP COc1nscc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997418253 703669670 /nfs/dbraw/zinc/66/96/70/703669670.db2.gz WNTSTIJMBYHFJZ-UHFFFAOYSA-N 2 2 335.433 1.129 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032486406 703744830 /nfs/dbraw/zinc/74/48/30/703744830.db2.gz ONYMXKKPBCIJIK-XIRDDKMYSA-N 2 2 344.459 1.300 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032486406 703744832 /nfs/dbraw/zinc/74/48/32/703744832.db2.gz ONYMXKKPBCIJIK-XIRDDKMYSA-N 2 2 344.459 1.300 20 0 EDADLP CN(C)c1cc[nH+]c(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000921626371 703768619 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347.507 1.621 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997642951 703951080 /nfs/dbraw/zinc/95/10/80/703951080.db2.gz XAGXZLAISQIIRY-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCOc2ccccc2F)CC1 ZINC001004254038 704080151 /nfs/dbraw/zinc/08/01/51/704080151.db2.gz TZNOMLWOADBIKU-UHFFFAOYSA-N 2 2 346.406 1.682 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000922854350 704431129 /nfs/dbraw/zinc/43/11/29/704431129.db2.gz WCMWYZMUMLDAGF-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000922854350 704431132 /nfs/dbraw/zinc/43/11/32/704431132.db2.gz WCMWYZMUMLDAGF-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCc4cccnc43)cn2)CC1 ZINC000922879390 704446064 /nfs/dbraw/zinc/44/60/64/704446064.db2.gz IVPKHLDZKMTPEH-QGZVFWFLSA-N 2 2 338.459 1.791 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCO1 ZINC001032534777 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ZINC000944964307 704831961 /nfs/dbraw/zinc/83/19/61/704831961.db2.gz IGDWSBLLPSCVAK-DOMZBBRYSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cncs2)C[C@H]1C ZINC000944964307 704831966 /nfs/dbraw/zinc/83/19/66/704831966.db2.gz IGDWSBLLPSCVAK-DOMZBBRYSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@@H]1C ZINC000944964974 704833844 /nfs/dbraw/zinc/83/38/44/704833844.db2.gz NUBAQRIJLUDCDP-GUYCJALGSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@@H]1C ZINC000944964974 704833850 /nfs/dbraw/zinc/83/38/50/704833850.db2.gz NUBAQRIJLUDCDP-GUYCJALGSA-N 2 2 345.422 1.752 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)on1 ZINC000944965063 704834559 /nfs/dbraw/zinc/83/45/59/704834559.db2.gz PGSXZNZKLDJHIP-WFASDCNBSA-N 2 2 347.419 1.215 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)on1 ZINC000944965063 704834565 /nfs/dbraw/zinc/83/45/65/704834565.db2.gz PGSXZNZKLDJHIP-WFASDCNBSA-N 2 2 347.419 1.215 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997942622 705060850 /nfs/dbraw/zinc/06/08/50/705060850.db2.gz JQQOHVZEZGMCJL-LJQANCHMSA-N 2 2 349.519 1.726 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997942622 705060855 /nfs/dbraw/zinc/06/08/55/705060855.db2.gz JQQOHVZEZGMCJL-LJQANCHMSA-N 2 2 349.519 1.726 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000997951603 705070924 /nfs/dbraw/zinc/07/09/24/705070924.db2.gz HUZJHQGTLITGJT-UHFFFAOYSA-N 2 2 331.420 1.598 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000997953734 705082897 /nfs/dbraw/zinc/08/28/97/705082897.db2.gz YOFNPGNKKRWTAC-UHFFFAOYSA-N 2 2 333.461 1.758 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC000997962581 705097876 /nfs/dbraw/zinc/09/78/76/705097876.db2.gz VJJYXHPONKOFDF-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC000997962581 705097883 /nfs/dbraw/zinc/09/78/83/705097883.db2.gz VJJYXHPONKOFDF-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000997962581 705097888 /nfs/dbraw/zinc/09/78/88/705097888.db2.gz VJJYXHPONKOFDF-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC000997962581 705097892 /nfs/dbraw/zinc/09/78/92/705097892.db2.gz VJJYXHPONKOFDF-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998042765 705237684 /nfs/dbraw/zinc/23/76/84/705237684.db2.gz AMVKOLMSZYWALC-HOTGVXAUSA-N 2 2 348.491 1.518 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998042765 705237686 /nfs/dbraw/zinc/23/76/86/705237686.db2.gz AMVKOLMSZYWALC-HOTGVXAUSA-N 2 2 348.491 1.518 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998042765 705237689 /nfs/dbraw/zinc/23/76/89/705237689.db2.gz AMVKOLMSZYWALC-HOTGVXAUSA-N 2 2 348.491 1.518 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998042765 705237692 /nfs/dbraw/zinc/23/76/92/705237692.db2.gz AMVKOLMSZYWALC-HOTGVXAUSA-N 2 2 348.491 1.518 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998045533 705241191 /nfs/dbraw/zinc/24/11/91/705241191.db2.gz KVQQFEKLNADJDB-HZPDHXFCSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998045533 705241194 /nfs/dbraw/zinc/24/11/94/705241194.db2.gz KVQQFEKLNADJDB-HZPDHXFCSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998047010 705243112 /nfs/dbraw/zinc/24/31/12/705243112.db2.gz POLXJDQJYHGSFB-HNNXBMFYSA-N 2 2 330.432 1.872 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998047010 705243114 /nfs/dbraw/zinc/24/31/14/705243114.db2.gz POLXJDQJYHGSFB-HNNXBMFYSA-N 2 2 330.432 1.872 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998052931 705256461 /nfs/dbraw/zinc/25/64/61/705256461.db2.gz RCMHSAWIDFVUIF-IAGOWNOFSA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998052931 705256464 /nfs/dbraw/zinc/25/64/64/705256464.db2.gz RCMHSAWIDFVUIF-IAGOWNOFSA-N 2 2 348.491 1.531 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)c1 ZINC001032602730 705409007 /nfs/dbraw/zinc/40/90/07/705409007.db2.gz YKXQHPZCCGZFDX-ROUUACIJSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)c1 ZINC001032602730 705409009 /nfs/dbraw/zinc/40/90/09/705409009.db2.gz YKXQHPZCCGZFDX-ROUUACIJSA-N 2 2 328.460 1.517 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CCO1 ZINC000998184381 705484760 /nfs/dbraw/zinc/48/47/60/705484760.db2.gz UEAXIIVMFPJRBP-GDBMZVCRSA-N 2 2 334.464 1.596 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000998189879 705495272 /nfs/dbraw/zinc/49/52/72/705495272.db2.gz OFHWFKALEYHDDL-GOEBONIOSA-N 2 2 335.452 1.224 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000998189879 705495276 /nfs/dbraw/zinc/49/52/76/705495276.db2.gz OFHWFKALEYHDDL-GOEBONIOSA-N 2 2 335.452 1.224 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998189879 705495280 /nfs/dbraw/zinc/49/52/80/705495280.db2.gz OFHWFKALEYHDDL-GOEBONIOSA-N 2 2 335.452 1.224 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998189879 705495281 /nfs/dbraw/zinc/49/52/81/705495281.db2.gz OFHWFKALEYHDDL-GOEBONIOSA-N 2 2 335.452 1.224 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000998189877 705495807 /nfs/dbraw/zinc/49/58/07/705495807.db2.gz OFHWFKALEYHDDL-GDBMZVCRSA-N 2 2 335.452 1.224 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000998189877 705495810 /nfs/dbraw/zinc/49/58/10/705495810.db2.gz OFHWFKALEYHDDL-GDBMZVCRSA-N 2 2 335.452 1.224 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998189877 705495811 /nfs/dbraw/zinc/49/58/11/705495811.db2.gz OFHWFKALEYHDDL-GDBMZVCRSA-N 2 2 335.452 1.224 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998189877 705495814 /nfs/dbraw/zinc/49/58/14/705495814.db2.gz OFHWFKALEYHDDL-GDBMZVCRSA-N 2 2 335.452 1.224 20 0 EDADLP CC(C)(C(=O)N1CCC(C[NH2+]Cc2ccon2)CC1)c1c[nH+]c[nH]1 ZINC000998221698 705547017 /nfs/dbraw/zinc/54/70/17/705547017.db2.gz GHSKDFOIQAYEMF-UHFFFAOYSA-N 2 2 331.420 1.704 20 0 EDADLP Cc1nnsc1C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000998297865 705701321 /nfs/dbraw/zinc/70/13/21/705701321.db2.gz OQLSPKRSMFRQOW-UHFFFAOYSA-N 2 2 334.449 1.071 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1csc(C)n1)[NH+](C)C ZINC001032634171 705876053 /nfs/dbraw/zinc/87/60/53/705876053.db2.gz FRLCOIPYWSIVPY-JYJNAYRXSA-N 2 2 336.505 1.619 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1csc(C)n1)[NH+](C)C ZINC001032634171 705876057 /nfs/dbraw/zinc/87/60/57/705876057.db2.gz FRLCOIPYWSIVPY-JYJNAYRXSA-N 2 2 336.505 1.619 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998939013 706378694 /nfs/dbraw/zinc/37/86/94/706378694.db2.gz LGHSVSRPYVANTH-AHNOJICISA-N 2 2 342.447 1.068 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998939013 706378697 /nfs/dbraw/zinc/37/86/97/706378697.db2.gz LGHSVSRPYVANTH-AHNOJICISA-N 2 2 342.447 1.068 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999013123 706432512 /nfs/dbraw/zinc/43/25/12/706432512.db2.gz UTSPLAYHHHWPKQ-ODIFPOPNSA-N 2 2 339.443 1.620 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)on1 ZINC000999005726 706446170 /nfs/dbraw/zinc/44/61/70/706446170.db2.gz VAIFTVVSPUVPKS-NFOMZHRRSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1cnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC000999045391 706486789 /nfs/dbraw/zinc/48/67/89/706486789.db2.gz ONJVUTFRJUALRB-GJZGRUSLSA-N 2 2 342.447 1.783 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999111573 706537926 /nfs/dbraw/zinc/53/79/26/706537926.db2.gz WLUPWVBRJXPQSI-UHFFFAOYSA-N 2 2 338.415 1.461 20 0 EDADLP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C4CC4)o3)C2)CCC1 ZINC000999350646 706863417 /nfs/dbraw/zinc/86/34/17/706863417.db2.gz ZQWNCPJBZHGFNR-AWEZNQCLSA-N 2 2 347.463 1.512 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)co1 ZINC000999368246 706882189 /nfs/dbraw/zinc/88/21/89/706882189.db2.gz GNQLRUTWDUOKOV-ZBFHGGJFSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999368924 706882785 /nfs/dbraw/zinc/88/27/85/706882785.db2.gz HSAYWINLJYCNEB-GDBMZVCRSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)no1 ZINC000999409205 706918686 /nfs/dbraw/zinc/91/86/86/706918686.db2.gz PKCQGPHUTMFFCS-LRVUVFPRSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)no1 ZINC000999409205 706918691 /nfs/dbraw/zinc/91/86/91/706918691.db2.gz PKCQGPHUTMFFCS-LRVUVFPRSA-N 2 2 349.479 1.750 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999414460 706923855 /nfs/dbraw/zinc/92/38/55/706923855.db2.gz WHSLKEQKAQHNDZ-GVDBMIGSSA-N 2 2 346.475 1.911 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999414460 706923857 /nfs/dbraw/zinc/92/38/57/706923857.db2.gz WHSLKEQKAQHNDZ-GVDBMIGSSA-N 2 2 346.475 1.911 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)oc1C ZINC000999506560 707003984 /nfs/dbraw/zinc/00/39/84/707003984.db2.gz BWTYTJSJBMFZJC-CVEARBPZSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)oc1C ZINC000999506560 707003986 /nfs/dbraw/zinc/00/39/86/707003986.db2.gz BWTYTJSJBMFZJC-CVEARBPZSA-N 2 2 334.464 1.856 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1)[NH+](C)C ZINC000999490603 707026638 /nfs/dbraw/zinc/02/66/38/707026638.db2.gz RFNHMHTYKSAMKJ-ZIAGYGMSSA-N 2 2 334.468 1.103 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999534582 707035011 /nfs/dbraw/zinc/03/50/11/707035011.db2.gz GBNHEAKJRMEVDK-WBVHZDCISA-N 2 2 339.443 1.621 20 0 EDADLP CCc1cc(NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)nc(C)[nH+]1 ZINC001060881012 707038385 /nfs/dbraw/zinc/03/83/85/707038385.db2.gz RTDQEGWRFZVSQX-OAHLLOKOSA-N 2 2 342.447 1.813 20 0 EDADLP CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000999605301 707070073 /nfs/dbraw/zinc/07/00/73/707070073.db2.gz GRQAAJASOLKVQT-UHFFFAOYSA-N 2 2 341.459 1.797 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694232 707148476 /nfs/dbraw/zinc/14/84/76/707148476.db2.gz OGKQEJGEWHWFJV-ZACQAIPSSA-N 2 2 348.491 1.558 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946694232 707148481 /nfs/dbraw/zinc/14/84/81/707148481.db2.gz OGKQEJGEWHWFJV-ZACQAIPSSA-N 2 2 348.491 1.558 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)c3c[nH+]ccc3N(C)C)C2)no1 ZINC000999698418 707225046 /nfs/dbraw/zinc/22/50/46/707225046.db2.gz GHANBQPWPWKVPC-UHFFFAOYSA-N 2 2 343.431 1.837 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033270297 707320180 /nfs/dbraw/zinc/32/01/80/707320180.db2.gz DBFZDGMGOGKEOK-INIZCTEOSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033270297 707320183 /nfs/dbraw/zinc/32/01/83/707320183.db2.gz DBFZDGMGOGKEOK-INIZCTEOSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+][C@@H](C)c2ncccn2)C1 ZINC000999752131 707354046 /nfs/dbraw/zinc/35/40/46/707354046.db2.gz CJEQERFCLJRACF-HSBZDZAISA-N 2 2 328.420 1.391 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033191215 707395024 /nfs/dbraw/zinc/39/50/24/707395024.db2.gz GKMANFGQXUVSDJ-HNNXBMFYSA-N 2 2 338.415 1.606 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033191215 707395030 /nfs/dbraw/zinc/39/50/30/707395030.db2.gz GKMANFGQXUVSDJ-HNNXBMFYSA-N 2 2 338.415 1.606 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033296866 707409418 /nfs/dbraw/zinc/40/94/18/707409418.db2.gz CPYXCFZQXQMJQK-OALUTQOASA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033296866 707409420 /nfs/dbraw/zinc/40/94/20/707409420.db2.gz CPYXCFZQXQMJQK-OALUTQOASA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033296866 707409421 /nfs/dbraw/zinc/40/94/21/707409421.db2.gz CPYXCFZQXQMJQK-OALUTQOASA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033296866 707409423 /nfs/dbraw/zinc/40/94/23/707409423.db2.gz CPYXCFZQXQMJQK-OALUTQOASA-N 2 2 349.519 1.820 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)ncn1 ZINC001033196192 707442818 /nfs/dbraw/zinc/44/28/18/707442818.db2.gz BVNRANUGKLSUCB-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)ncn1 ZINC001033196192 707442823 /nfs/dbraw/zinc/44/28/23/707442823.db2.gz BVNRANUGKLSUCB-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC001033196192 707442824 /nfs/dbraw/zinc/44/28/24/707442824.db2.gz BVNRANUGKLSUCB-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)ncn1 ZINC001033196192 707442827 /nfs/dbraw/zinc/44/28/27/707442827.db2.gz BVNRANUGKLSUCB-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)ccn1 ZINC001033199430 707448053 /nfs/dbraw/zinc/44/80/53/707448053.db2.gz SXRLWANNSXAHMZ-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)ccn1 ZINC001033199430 707448056 /nfs/dbraw/zinc/44/80/56/707448056.db2.gz SXRLWANNSXAHMZ-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC001033199430 707448058 /nfs/dbraw/zinc/44/80/58/707448058.db2.gz SXRLWANNSXAHMZ-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)ccn1 ZINC001033199430 707448061 /nfs/dbraw/zinc/44/80/61/707448061.db2.gz SXRLWANNSXAHMZ-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)CC[C@@H]3C2)O1 ZINC000946800356 707450953 /nfs/dbraw/zinc/45/09/53/707450953.db2.gz AMPOMBWQSBIWHJ-XLMAVXFVSA-N 2 2 346.475 1.690 20 0 EDADLP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)CC[C@@H]3C2)O1 ZINC000946800356 707450956 /nfs/dbraw/zinc/45/09/56/707450956.db2.gz AMPOMBWQSBIWHJ-XLMAVXFVSA-N 2 2 346.475 1.690 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2cc(F)ccc2F)C1 ZINC000999916878 707558612 /nfs/dbraw/zinc/55/86/12/707558612.db2.gz PVGVUJQJXXVXGM-UHFFFAOYSA-N 2 2 334.370 1.941 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000999917671 707559858 /nfs/dbraw/zinc/55/98/58/707559858.db2.gz WHGYUSMRRDYOCR-UHFFFAOYSA-N 2 2 333.823 1.711 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999972734 707584959 /nfs/dbraw/zinc/58/49/59/707584959.db2.gz INKRPPZPFFAEHS-HZPDHXFCSA-N 2 2 349.479 1.581 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999972734 707584962 /nfs/dbraw/zinc/58/49/62/707584962.db2.gz INKRPPZPFFAEHS-HZPDHXFCSA-N 2 2 349.479 1.581 20 0 EDADLP C[C@@H]([NH2+]Cc1ccon1)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004914910 707647128 /nfs/dbraw/zinc/64/71/28/707647128.db2.gz BLOQWTVJPPRSCG-GDBMZVCRSA-N 2 2 331.420 1.821 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3nccs3)C2)CC[N@@H+]1C ZINC001033363158 707652906 /nfs/dbraw/zinc/65/29/06/707652906.db2.gz VMBPSDGSRWFJRX-SOUVJXGZSA-N 2 2 336.505 1.906 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3nccs3)C2)CC[N@H+]1C ZINC001033363158 707652909 /nfs/dbraw/zinc/65/29/09/707652909.db2.gz VMBPSDGSRWFJRX-SOUVJXGZSA-N 2 2 336.505 1.906 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001033363158 707652914 /nfs/dbraw/zinc/65/29/14/707652914.db2.gz VMBPSDGSRWFJRX-SOUVJXGZSA-N 2 2 336.505 1.906 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001033363158 707652919 /nfs/dbraw/zinc/65/29/19/707652919.db2.gz VMBPSDGSRWFJRX-SOUVJXGZSA-N 2 2 336.505 1.906 20 0 EDADLP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001032727650 707721859 /nfs/dbraw/zinc/72/18/59/707721859.db2.gz CFPMCMBSYYFDPB-HOTGVXAUSA-N 2 2 325.416 1.822 20 0 EDADLP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001032727650 707721861 /nfs/dbraw/zinc/72/18/61/707721861.db2.gz CFPMCMBSYYFDPB-HOTGVXAUSA-N 2 2 325.416 1.822 20 0 EDADLP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004948236 707721876 /nfs/dbraw/zinc/72/18/76/707721876.db2.gz SSGYGPRLXOYZPJ-CZUORRHYSA-N 2 2 330.436 1.245 20 0 EDADLP C[C@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004974702 707805708 /nfs/dbraw/zinc/80/57/08/707805708.db2.gz IUPPSQHSYLZKPH-YOEHRIQHSA-N 2 2 344.463 1.256 20 0 EDADLP C[C@@H]([NH2+]Cc1cccnc1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004977843 707814421 /nfs/dbraw/zinc/81/44/21/707814421.db2.gz RRUAWJIPPBSXCE-CRAIPNDOSA-N 2 2 341.459 1.917 20 0 EDADLP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000921700854 707827710 /nfs/dbraw/zinc/82/77/10/707827710.db2.gz XWXHCAXPVWPAHV-AWEZNQCLSA-N 2 2 336.432 1.173 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(C2(NC(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)CC1 ZINC001000203284 707846838 /nfs/dbraw/zinc/84/68/38/707846838.db2.gz OOETXBNIUSCDKK-CABCVRRESA-N 2 2 346.475 1.187 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cnsn1 ZINC001004991268 707855974 /nfs/dbraw/zinc/85/59/74/707855974.db2.gz KPYLOWBRIKIGKC-DOMZBBRYSA-N 2 2 348.476 1.602 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033230129 707889601 /nfs/dbraw/zinc/88/96/01/707889601.db2.gz ZMJHMRKWTKRFKT-QGZVFWFLSA-N 2 2 346.450 1.882 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033230129 707889607 /nfs/dbraw/zinc/88/96/07/707889607.db2.gz ZMJHMRKWTKRFKT-QGZVFWFLSA-N 2 2 346.450 1.882 20 0 EDADLP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005008092 707923237 /nfs/dbraw/zinc/92/32/37/707923237.db2.gz HFPZBBAJGJTXIK-GDBMZVCRSA-N 2 2 330.436 1.176 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc[nH+]1 ZINC001060926929 707931853 /nfs/dbraw/zinc/93/18/53/707931853.db2.gz GBTLUUPBGPGJHE-HOCLYGCPSA-N 2 2 329.448 1.387 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001000562754 708048286 /nfs/dbraw/zinc/04/82/86/708048286.db2.gz NPVXSNPTQQZSAM-OLZOCXBDSA-N 2 2 326.391 1.968 20 0 EDADLP O=C(NCC1=CC[N@H+](Cc2ccon2)CC1)C12CCC[NH+](CCC1)C2 ZINC001000839727 708070835 /nfs/dbraw/zinc/07/08/35/708070835.db2.gz GMEFSAQKUGTTTB-UHFFFAOYSA-N 2 2 344.459 1.799 20 0 EDADLP O=C(NCC1=CC[N@@H+](Cc2ccon2)CC1)C12CCC[NH+](CCC1)C2 ZINC001000839727 708070836 /nfs/dbraw/zinc/07/08/36/708070836.db2.gz GMEFSAQKUGTTTB-UHFFFAOYSA-N 2 2 344.459 1.799 20 0 EDADLP CCCc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC001001055574 708086778 /nfs/dbraw/zinc/08/67/78/708086778.db2.gz MORSSDAQSSSFEA-HNNXBMFYSA-N 2 2 345.447 1.913 20 0 EDADLP CCc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)cc1 ZINC001032814583 708146634 /nfs/dbraw/zinc/14/66/34/708146634.db2.gz FDHPQXIDTKAMMA-OALUTQOASA-N 2 2 338.455 1.973 20 0 EDADLP CCc1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)cc1 ZINC001032814583 708146636 /nfs/dbraw/zinc/14/66/36/708146636.db2.gz FDHPQXIDTKAMMA-OALUTQOASA-N 2 2 338.455 1.973 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582073 708264612 /nfs/dbraw/zinc/26/46/12/708264612.db2.gz NSAFKKAACADABJ-UONOGXRCSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582073 708264614 /nfs/dbraw/zinc/26/46/14/708264614.db2.gz NSAFKKAACADABJ-UONOGXRCSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001033582073 708264617 /nfs/dbraw/zinc/26/46/17/708264617.db2.gz NSAFKKAACADABJ-UONOGXRCSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033582073 708264620 /nfs/dbraw/zinc/26/46/20/708264620.db2.gz NSAFKKAACADABJ-UONOGXRCSA-N 2 2 337.493 1.221 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033592269 708291270 /nfs/dbraw/zinc/29/12/70/708291270.db2.gz YFFVNKZLYQPSAT-INIZCTEOSA-N 2 2 334.464 1.312 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033592269 708291272 /nfs/dbraw/zinc/29/12/72/708291272.db2.gz YFFVNKZLYQPSAT-INIZCTEOSA-N 2 2 334.464 1.312 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001001826576 708329102 /nfs/dbraw/zinc/32/91/02/708329102.db2.gz WRVSDHDNSJIXAG-WFASDCNBSA-N 2 2 337.493 1.064 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2cnns2)CC1 ZINC001001826576 708329106 /nfs/dbraw/zinc/32/91/06/708329106.db2.gz WRVSDHDNSJIXAG-WFASDCNBSA-N 2 2 337.493 1.064 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664074 708445452 /nfs/dbraw/zinc/44/54/52/708445452.db2.gz BRNJSHNSJPQLNZ-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664074 708445454 /nfs/dbraw/zinc/44/54/54/708445454.db2.gz BRNJSHNSJPQLNZ-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001033665057 708447400 /nfs/dbraw/zinc/44/74/00/708447400.db2.gz KTKBWLMZFBUFPY-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001033665057 708447402 /nfs/dbraw/zinc/44/74/02/708447402.db2.gz KTKBWLMZFBUFPY-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001033666875 708453154 /nfs/dbraw/zinc/45/31/54/708453154.db2.gz CFGOZQGDWKWIIC-HNNXBMFYSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001033666875 708453156 /nfs/dbraw/zinc/45/31/56/708453156.db2.gz CFGOZQGDWKWIIC-HNNXBMFYSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033667393 708454513 /nfs/dbraw/zinc/45/45/13/708454513.db2.gz GEOZYYGQGCJANU-KGLIPLIRSA-N 2 2 342.390 1.148 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033667393 708454516 /nfs/dbraw/zinc/45/45/16/708454516.db2.gz GEOZYYGQGCJANU-KGLIPLIRSA-N 2 2 342.390 1.148 20 0 EDADLP O=C(NCC1CC[NH+](CCCO)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC001002001519 708517573 /nfs/dbraw/zinc/51/75/73/708517573.db2.gz SXWBXQIQALKKEO-UHFFFAOYSA-N 2 2 342.443 1.697 20 0 EDADLP Cc1ccc(CC[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001033704223 708533548 /nfs/dbraw/zinc/53/35/48/708533548.db2.gz PLJAXCSUJPRYRZ-GOSISDBHSA-N 2 2 326.444 1.967 20 0 EDADLP Cc1ccc(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001033704223 708533549 /nfs/dbraw/zinc/53/35/49/708533549.db2.gz PLJAXCSUJPRYRZ-GOSISDBHSA-N 2 2 326.444 1.967 20 0 EDADLP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC)C1 ZINC001033889454 708970825 /nfs/dbraw/zinc/97/08/25/708970825.db2.gz YVJFVADQWRZHDJ-DZGCQCFKSA-N 2 2 343.431 1.005 20 0 EDADLP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC)C1 ZINC001033889454 708970827 /nfs/dbraw/zinc/97/08/27/708970827.db2.gz YVJFVADQWRZHDJ-DZGCQCFKSA-N 2 2 343.431 1.005 20 0 EDADLP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)C1 ZINC001033880676 708977453 /nfs/dbraw/zinc/97/74/53/708977453.db2.gz ZBWMQBBDMPOTPV-UKRRQHHQSA-N 2 2 343.431 1.053 20 0 EDADLP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@H+]([C@H](C)C(N)=O)C1 ZINC001033880676 708977454 /nfs/dbraw/zinc/97/74/54/708977454.db2.gz ZBWMQBBDMPOTPV-UKRRQHHQSA-N 2 2 343.431 1.053 20 0 EDADLP Cc1nc(N[C@H]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC001061092395 708997106 /nfs/dbraw/zinc/99/71/06/708997106.db2.gz PMTWWGRVZFTSCK-HOTGVXAUSA-N 2 2 331.464 1.966 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033935908 709123133 /nfs/dbraw/zinc/12/31/33/709123133.db2.gz KKXOHHMLVOJIEP-ULQDDVLXSA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033935908 709123135 /nfs/dbraw/zinc/12/31/35/709123135.db2.gz KKXOHHMLVOJIEP-ULQDDVLXSA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](Cc2nccn2C)C1 ZINC001033935908 709123137 /nfs/dbraw/zinc/12/31/37/709123137.db2.gz KKXOHHMLVOJIEP-ULQDDVLXSA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](Cc2nccn2C)C1 ZINC001033935908 709123139 /nfs/dbraw/zinc/12/31/39/709123139.db2.gz KKXOHHMLVOJIEP-ULQDDVLXSA-N 2 2 347.507 1.573 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001034047275 709300550 /nfs/dbraw/zinc/30/05/50/709300550.db2.gz FGTMRLYQFJLEOO-QZTJIDSGSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](CC)CCO1)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001034047275 709300554 /nfs/dbraw/zinc/30/05/54/709300554.db2.gz FGTMRLYQFJLEOO-QZTJIDSGSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001034047275 709300558 /nfs/dbraw/zinc/30/05/58/709300558.db2.gz FGTMRLYQFJLEOO-QZTJIDSGSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001034047275 709300562 /nfs/dbraw/zinc/30/05/62/709300562.db2.gz FGTMRLYQFJLEOO-QZTJIDSGSA-N 2 2 346.475 1.225 20 0 EDADLP Cc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001034148878 709420202 /nfs/dbraw/zinc/42/02/02/709420202.db2.gz PSUMJKNKMNLNLX-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001034148878 709420204 /nfs/dbraw/zinc/42/02/04/709420204.db2.gz PSUMJKNKMNLNLX-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001034148878 709420205 /nfs/dbraw/zinc/42/02/05/709420205.db2.gz PSUMJKNKMNLNLX-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001034148878 709420206 /nfs/dbraw/zinc/42/02/06/709420206.db2.gz PSUMJKNKMNLNLX-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001002873120 709493387 /nfs/dbraw/zinc/49/33/87/709493387.db2.gz ZPYUFPVYVYMKRA-DYVFJYSZSA-N 2 2 349.479 1.406 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001002873120 709493391 /nfs/dbraw/zinc/49/33/91/709493391.db2.gz ZPYUFPVYVYMKRA-DYVFJYSZSA-N 2 2 349.479 1.406 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@H+](CCCO)C3)ccn12 ZINC001034208081 709556461 /nfs/dbraw/zinc/55/64/61/709556461.db2.gz VIQWMMBZQNFRPV-INIZCTEOSA-N 2 2 330.432 1.609 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@@H+](CCCO)C3)ccn12 ZINC001034208081 709556464 /nfs/dbraw/zinc/55/64/64/709556464.db2.gz VIQWMMBZQNFRPV-INIZCTEOSA-N 2 2 330.432 1.609 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](CCn2cccn2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252811 709653287 /nfs/dbraw/zinc/65/32/87/709653287.db2.gz ZRHQNTDRMXQTHT-ARFHVFGLSA-N 2 2 342.447 1.381 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](CCn2cccn2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252811 709653290 /nfs/dbraw/zinc/65/32/90/709653290.db2.gz ZRHQNTDRMXQTHT-ARFHVFGLSA-N 2 2 342.447 1.381 20 0 EDADLP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034270939 709677023 /nfs/dbraw/zinc/67/70/23/709677023.db2.gz KBXGVDAWUYGCPB-IAGOWNOFSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034270939 709677025 /nfs/dbraw/zinc/67/70/25/709677025.db2.gz KBXGVDAWUYGCPB-IAGOWNOFSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034270939 709677029 /nfs/dbraw/zinc/67/70/29/709677029.db2.gz KBXGVDAWUYGCPB-IAGOWNOFSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034270939 709677032 /nfs/dbraw/zinc/67/70/32/709677032.db2.gz KBXGVDAWUYGCPB-IAGOWNOFSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034271137 709677469 /nfs/dbraw/zinc/67/74/69/709677469.db2.gz LSMHEBMQDPOWFY-CVEARBPZSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034271137 709677473 /nfs/dbraw/zinc/67/74/73/709677473.db2.gz LSMHEBMQDPOWFY-CVEARBPZSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034271137 709677478 /nfs/dbraw/zinc/67/74/78/709677478.db2.gz LSMHEBMQDPOWFY-CVEARBPZSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034271137 709677480 /nfs/dbraw/zinc/67/74/80/709677480.db2.gz LSMHEBMQDPOWFY-CVEARBPZSA-N 2 2 334.464 1.938 20 0 EDADLP C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271839 709678812 /nfs/dbraw/zinc/67/88/12/709678812.db2.gz QCVVILGNYWECOL-DGCLKSJQSA-N 2 2 329.404 1.021 20 0 EDADLP C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034271839 709678814 /nfs/dbraw/zinc/67/88/14/709678814.db2.gz QCVVILGNYWECOL-DGCLKSJQSA-N 2 2 329.404 1.021 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001003011668 709783849 /nfs/dbraw/zinc/78/38/49/709783849.db2.gz PZXRBMCMEXHIBR-KRWDZBQOSA-N 2 2 348.495 1.159 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001003011668 709783854 /nfs/dbraw/zinc/78/38/54/709783854.db2.gz PZXRBMCMEXHIBR-KRWDZBQOSA-N 2 2 348.495 1.159 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]c(C)n2)C1 ZINC001061243107 709932348 /nfs/dbraw/zinc/93/23/48/709932348.db2.gz JSMYVVTYCXOACE-INIZCTEOSA-N 2 2 342.447 1.726 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3cncn3C)C2)CC1 ZINC001034453480 710061210 /nfs/dbraw/zinc/06/12/10/710061210.db2.gz HJPXHSRCSRLNKF-KRWDZBQOSA-N 2 2 347.507 1.623 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001034453480 710061213 /nfs/dbraw/zinc/06/12/13/710061213.db2.gz HJPXHSRCSRLNKF-KRWDZBQOSA-N 2 2 347.507 1.623 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001003161065 710070497 /nfs/dbraw/zinc/07/04/97/710070497.db2.gz SKLDHWACMZFISV-KRWDZBQOSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001003161065 710070501 /nfs/dbraw/zinc/07/05/01/710070501.db2.gz SKLDHWACMZFISV-KRWDZBQOSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003168037 710079958 /nfs/dbraw/zinc/07/99/58/710079958.db2.gz QTOIAASVPXCVAN-MRXNPFEDSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003168037 710079962 /nfs/dbraw/zinc/07/99/62/710079962.db2.gz QTOIAASVPXCVAN-MRXNPFEDSA-N 2 2 331.464 1.350 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](CC[C@H]2CCOC2)C1 ZINC001034485203 710130653 /nfs/dbraw/zinc/13/06/53/710130653.db2.gz PIPAOFBYECLFGM-HOTGVXAUSA-N 2 2 334.464 1.360 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001034485203 710130655 /nfs/dbraw/zinc/13/06/55/710130655.db2.gz PIPAOFBYECLFGM-HOTGVXAUSA-N 2 2 334.464 1.360 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001034485206 710130811 /nfs/dbraw/zinc/13/08/11/710130811.db2.gz PIPAOFBYECLFGM-HZPDHXFCSA-N 2 2 334.464 1.360 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001034485206 710130813 /nfs/dbraw/zinc/13/08/13/710130813.db2.gz PIPAOFBYECLFGM-HZPDHXFCSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034530144 710186291 /nfs/dbraw/zinc/18/62/91/710186291.db2.gz SZCREYPTYLIAFO-SWLSCSKDSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034530144 710186294 /nfs/dbraw/zinc/18/62/94/710186294.db2.gz SZCREYPTYLIAFO-SWLSCSKDSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034530142 710186546 /nfs/dbraw/zinc/18/65/46/710186546.db2.gz SZCREYPTYLIAFO-IUODEOHRSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1nnc([C@@H](C)[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034530142 710186550 /nfs/dbraw/zinc/18/65/50/710186550.db2.gz SZCREYPTYLIAFO-IUODEOHRSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC001003318145 710246528 /nfs/dbraw/zinc/24/65/28/710246528.db2.gz HLYVUCHTXIQZOU-UHFFFAOYSA-N 2 2 330.436 1.014 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003375785 710294159 /nfs/dbraw/zinc/29/41/59/710294159.db2.gz XGBJRUTVBQWCIY-KRWDZBQOSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)o1 ZINC001003375887 710294222 /nfs/dbraw/zinc/29/42/22/710294222.db2.gz ZGBAIAZFAHXXJJ-QGZVFWFLSA-N 2 2 347.463 1.333 20 0 EDADLP C[C@@H](c1nncn1C)[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003424142 710339470 /nfs/dbraw/zinc/33/94/70/710339470.db2.gz QHPPGWZCOKPWIR-AWEZNQCLSA-N 2 2 348.495 1.331 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)no1 ZINC001003495113 710380602 /nfs/dbraw/zinc/38/06/02/710380602.db2.gz JXDXLRTYBYXRNV-ZFWWWQNUSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)no1 ZINC001003495113 710380604 /nfs/dbraw/zinc/38/06/04/710380604.db2.gz JXDXLRTYBYXRNV-ZFWWWQNUSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc[nH+]1 ZINC001061279203 710419245 /nfs/dbraw/zinc/41/92/45/710419245.db2.gz DXIKYUABMKOESJ-VNQPRFMTSA-N 2 2 331.464 1.552 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc[nH+]1 ZINC001061279203 710419246 /nfs/dbraw/zinc/41/92/46/710419246.db2.gz DXIKYUABMKOESJ-VNQPRFMTSA-N 2 2 331.464 1.552 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003628193 710458092 /nfs/dbraw/zinc/45/80/92/710458092.db2.gz NVULHSRPYNNHPW-ZIAGYGMSSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003628193 710458094 /nfs/dbraw/zinc/45/80/94/710458094.db2.gz NVULHSRPYNNHPW-ZIAGYGMSSA-N 2 2 349.479 1.615 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003632310 710460976 /nfs/dbraw/zinc/46/09/76/710460976.db2.gz ZCFKQLYHOURQRO-GDBMZVCRSA-N 2 2 333.480 1.181 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003632310 710460978 /nfs/dbraw/zinc/46/09/78/710460978.db2.gz ZCFKQLYHOURQRO-GDBMZVCRSA-N 2 2 333.480 1.181 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)co1 ZINC001005591170 710647229 /nfs/dbraw/zinc/64/72/29/710647229.db2.gz FPVBMTQBFGAFRJ-QGZVFWFLSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)co1 ZINC001005591170 710647231 /nfs/dbraw/zinc/64/72/31/710647231.db2.gz FPVBMTQBFGAFRJ-QGZVFWFLSA-N 2 2 334.464 1.890 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001034744295 710951685 /nfs/dbraw/zinc/95/16/85/710951685.db2.gz OVTCKXJQDPWUPB-ZOBUZTSGSA-N 2 2 334.464 1.928 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001034762506 710999911 /nfs/dbraw/zinc/99/99/11/710999911.db2.gz CABDPCMDEYMUPW-SHTZXODSSA-N 2 2 328.420 1.268 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001034775859 711050387 /nfs/dbraw/zinc/05/03/87/711050387.db2.gz LATMHCQYUGCEOE-SHTZXODSSA-N 2 2 331.420 1.476 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)nc(C2CC2)[nH+]1 ZINC001061364989 711121019 /nfs/dbraw/zinc/12/10/19/711121019.db2.gz WCKSUGHDGNUTIH-JKSUJKDBSA-N 2 2 343.475 1.699 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nc(C2CC2)[nH+]1 ZINC001061364989 711121023 /nfs/dbraw/zinc/12/10/23/711121023.db2.gz WCKSUGHDGNUTIH-JKSUJKDBSA-N 2 2 343.475 1.699 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003972251 711126108 /nfs/dbraw/zinc/12/61/08/711126108.db2.gz WNBQBTBSBYHNCX-KBPBESRZSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003972251 711126110 /nfs/dbraw/zinc/12/61/10/711126110.db2.gz WNBQBTBSBYHNCX-KBPBESRZSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2nccnc2C)CC1 ZINC001005718070 711135390 /nfs/dbraw/zinc/13/53/90/711135390.db2.gz FBIPBEAHCOSHSB-UHFFFAOYSA-N 2 2 342.447 1.413 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001003977551 711150229 /nfs/dbraw/zinc/15/02/29/711150229.db2.gz VRXDOUCQVVKCDP-UHFFFAOYSA-N 2 2 332.473 1.847 20 0 EDADLP Cc1conc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001034811806 711176601 /nfs/dbraw/zinc/17/66/01/711176601.db2.gz XLARTUMFUWQOBZ-SFHVURJKSA-N 2 2 342.443 1.983 20 0 EDADLP Cc1conc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001034811806 711176602 /nfs/dbraw/zinc/17/66/02/711176602.db2.gz XLARTUMFUWQOBZ-SFHVURJKSA-N 2 2 342.443 1.983 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003976815 711179041 /nfs/dbraw/zinc/17/90/41/711179041.db2.gz RWJNTYBTBUNCLB-HNNXBMFYSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003976815 711179044 /nfs/dbraw/zinc/17/90/44/711179044.db2.gz RWJNTYBTBUNCLB-HNNXBMFYSA-N 2 2 348.495 1.029 20 0 EDADLP Cc1nocc1C[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001003983222 711182289 /nfs/dbraw/zinc/18/22/89/711182289.db2.gz IISOYLBGBALBBN-UHFFFAOYSA-N 2 2 343.431 1.838 20 0 EDADLP O=C(NCc1ccc(C[NH2+]Cc2cnon2)cc1)C12CC[NH+](CC1)C2 ZINC001034828470 711232859 /nfs/dbraw/zinc/23/28/59/711232859.db2.gz SJFNGSOYUFSGNC-UHFFFAOYSA-N 2 2 341.415 1.071 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)c(C)n1 ZINC001034890978 711347399 /nfs/dbraw/zinc/34/73/99/711347399.db2.gz KUNAYONBJPITJD-QZTJIDSGSA-N 2 2 346.475 1.110 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)c(C)n1 ZINC001034890978 711347401 /nfs/dbraw/zinc/34/74/01/711347401.db2.gz KUNAYONBJPITJD-QZTJIDSGSA-N 2 2 346.475 1.110 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)cc1F ZINC001034891579 711347846 /nfs/dbraw/zinc/34/78/46/711347846.db2.gz XBFGGHXAJKQVKX-AEFFLSMTSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC001034891579 711347848 /nfs/dbraw/zinc/34/78/48/711347848.db2.gz XBFGGHXAJKQVKX-AEFFLSMTSA-N 2 2 349.450 1.545 20 0 EDADLP Cn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]ccn32)n1 ZINC001034959352 711434337 /nfs/dbraw/zinc/43/43/37/711434337.db2.gz XTTIUJBRCPWRKS-CVEARBPZSA-N 2 2 342.447 1.275 20 0 EDADLP O=C(N1CCC[C@@H]1C[NH2+]Cc1cnsn1)C12CCC[NH+](CCC1)C2 ZINC001034969451 711448551 /nfs/dbraw/zinc/44/85/51/711448551.db2.gz BLFPNCPRSZNYDW-OAHLLOKOSA-N 2 2 349.504 1.495 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946615525 711853402 /nfs/dbraw/zinc/85/34/02/711853402.db2.gz MUILLSKRDRXQOI-YESZJQIVSA-N 2 2 346.475 1.549 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946615525 711853403 /nfs/dbraw/zinc/85/34/03/711853403.db2.gz MUILLSKRDRXQOI-YESZJQIVSA-N 2 2 346.475 1.549 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946615525 711853404 /nfs/dbraw/zinc/85/34/04/711853404.db2.gz MUILLSKRDRXQOI-YESZJQIVSA-N 2 2 346.475 1.549 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946615525 711853405 /nfs/dbraw/zinc/85/34/05/711853405.db2.gz MUILLSKRDRXQOI-YESZJQIVSA-N 2 2 346.475 1.549 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004476012 711855792 /nfs/dbraw/zinc/85/57/92/711855792.db2.gz WTLDLQNMBFJRJP-IRXDYDNUSA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004476012 711855795 /nfs/dbraw/zinc/85/57/95/711855795.db2.gz WTLDLQNMBFJRJP-IRXDYDNUSA-N 2 2 346.475 1.141 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946642496 712128235 /nfs/dbraw/zinc/12/82/35/712128235.db2.gz MHLVLIKGERFIEC-OKILXGFUSA-N 2 2 328.416 1.339 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946642496 712128236 /nfs/dbraw/zinc/12/82/36/712128236.db2.gz MHLVLIKGERFIEC-OKILXGFUSA-N 2 2 328.416 1.339 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946651832 712200540 /nfs/dbraw/zinc/20/05/40/712200540.db2.gz GGAMZGNEEGHBMG-BBWFWOEESA-N 2 2 348.466 1.976 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946651832 712200542 /nfs/dbraw/zinc/20/05/42/712200542.db2.gz GGAMZGNEEGHBMG-BBWFWOEESA-N 2 2 348.466 1.976 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)nc(C2CC2)[nH+]1 ZINC001061543162 712310349 /nfs/dbraw/zinc/31/03/49/712310349.db2.gz VVRFNXDELDPGFP-GOEBONIOSA-N 2 2 343.475 1.699 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc(C2CC2)[nH+]1 ZINC001061543162 712310352 /nfs/dbraw/zinc/31/03/52/712310352.db2.gz VVRFNXDELDPGFP-GOEBONIOSA-N 2 2 343.475 1.699 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462062 306238505 /nfs/dbraw/zinc/23/85/05/306238505.db2.gz JQCYAVSDXPUAKF-GDBMZVCRSA-N 2 2 326.481 1.885 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462062 306238506 /nfs/dbraw/zinc/23/85/06/306238506.db2.gz JQCYAVSDXPUAKF-GDBMZVCRSA-N 2 2 326.481 1.885 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462062 306238507 /nfs/dbraw/zinc/23/85/07/306238507.db2.gz JQCYAVSDXPUAKF-GDBMZVCRSA-N 2 2 326.481 1.885 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462062 306238508 /nfs/dbraw/zinc/23/85/08/306238508.db2.gz JQCYAVSDXPUAKF-GDBMZVCRSA-N 2 2 326.481 1.885 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173962510 231083669 /nfs/dbraw/zinc/08/36/69/231083669.db2.gz LRQOXCAQRPRHJB-MAUKXSAKSA-N 2 2 340.427 1.665 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3sccc3C2)CC1 ZINC000175139180 231391426 /nfs/dbraw/zinc/39/14/26/231391426.db2.gz UAHZDNABXGUZTF-UHFFFAOYSA-N 2 2 336.505 1.842 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000357922785 282224287 /nfs/dbraw/zinc/22/42/87/282224287.db2.gz UPPGYULBOHQQNY-YJBOKZPZSA-N 2 2 337.508 1.890 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000357922785 282224288 /nfs/dbraw/zinc/22/42/88/282224288.db2.gz UPPGYULBOHQQNY-YJBOKZPZSA-N 2 2 337.508 1.890 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1ccco1 ZINC000188437270 282245875 /nfs/dbraw/zinc/24/58/75/282245875.db2.gz JCGCBYMSDXROMW-HZPDHXFCSA-N 2 2 335.448 1.642 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1ccco1 ZINC000188437270 282245879 /nfs/dbraw/zinc/24/58/79/282245879.db2.gz JCGCBYMSDXROMW-HZPDHXFCSA-N 2 2 335.448 1.642 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000173444869 282251710 /nfs/dbraw/zinc/25/17/10/282251710.db2.gz NFFKNWORFBVBRU-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000559283958 306253029 /nfs/dbraw/zinc/25/30/29/306253029.db2.gz HINKSIBHACCUTD-MRXNPFEDSA-N 2 2 330.432 1.588 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000174895948 529775750 /nfs/dbraw/zinc/77/57/50/529775750.db2.gz HCSGHPCDQKTZLP-OAHLLOKOSA-N 2 2 345.447 1.932 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000174895948 529775751 /nfs/dbraw/zinc/77/57/51/529775751.db2.gz HCSGHPCDQKTZLP-OAHLLOKOSA-N 2 2 345.447 1.932 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccnc1 ZINC000132561502 529870441 /nfs/dbraw/zinc/87/04/41/529870441.db2.gz GHHPFZKECHZLQM-UHFFFAOYSA-N 2 2 339.443 1.647 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccnc1 ZINC000132561502 529870442 /nfs/dbraw/zinc/87/04/42/529870442.db2.gz GHHPFZKECHZLQM-UHFFFAOYSA-N 2 2 339.443 1.647 20 0 EDADLP CNC(=O)c1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175124399 529949252 /nfs/dbraw/zinc/94/92/52/529949252.db2.gz IVHUZAPTIZPVBX-UHFFFAOYSA-N 2 2 347.463 1.194 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3cc4ccccc4n(C)c3=O)CC2)cc[nH+]1 ZINC000559638348 306257283 /nfs/dbraw/zinc/25/72/83/306257283.db2.gz SUOZLVGDENJJRM-UHFFFAOYSA-N 2 2 349.438 1.959 20 0 EDADLP CCCc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH]n1 ZINC000154131330 539468662 /nfs/dbraw/zinc/46/86/62/539468662.db2.gz SQXIDXTXLRGAMP-SJPCQFCGSA-N 2 2 345.491 1.745 20 0 EDADLP CCCc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]n1 ZINC000154131330 539468665 /nfs/dbraw/zinc/46/86/65/539468665.db2.gz SQXIDXTXLRGAMP-SJPCQFCGSA-N 2 2 345.491 1.745 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000435531035 539566273 /nfs/dbraw/zinc/56/62/73/539566273.db2.gz IYGRZAJYHRPRAF-IECFSIQFSA-N 2 2 325.497 1.015 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000435531035 539566274 /nfs/dbraw/zinc/56/62/74/539566274.db2.gz IYGRZAJYHRPRAF-IECFSIQFSA-N 2 2 325.497 1.015 20 0 EDADLP CC[N@H+](C)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000066987392 215100956 /nfs/dbraw/zinc/10/09/56/215100956.db2.gz SIIJESPAOHVKBD-CQSZACIVSA-N 2 2 335.452 1.058 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000066987392 215100961 /nfs/dbraw/zinc/10/09/61/215100961.db2.gz SIIJESPAOHVKBD-CQSZACIVSA-N 2 2 335.452 1.058 20 0 EDADLP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000562320824 306295237 /nfs/dbraw/zinc/29/52/37/306295237.db2.gz AJAISHSMJWQWEK-TXPKVOOTSA-N 2 2 347.459 1.798 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)[C@@H](C[NH3+])C1 ZINC000562749209 306307762 /nfs/dbraw/zinc/30/77/62/306307762.db2.gz MIDHFKFHEFESRC-ZDUSSCGKSA-N 2 2 349.410 1.059 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)[C@@H](C[NH3+])C1 ZINC000562749209 306307763 /nfs/dbraw/zinc/30/77/63/306307763.db2.gz MIDHFKFHEFESRC-ZDUSSCGKSA-N 2 2 349.410 1.059 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)CCC2 ZINC000562828283 306310610 /nfs/dbraw/zinc/31/06/10/306310610.db2.gz WELUGXCOMLYJTO-PMPSAXMXSA-N 2 2 349.479 1.165 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)CCC2 ZINC000562828283 306310611 /nfs/dbraw/zinc/31/06/11/306310611.db2.gz WELUGXCOMLYJTO-PMPSAXMXSA-N 2 2 349.479 1.165 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000563037087 306316373 /nfs/dbraw/zinc/31/63/73/306316373.db2.gz UWXIBMBZYSPVDS-GOEBONIOSA-N 2 2 345.443 1.100 20 0 EDADLP O=C([C@H]1CSC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000563170601 306321508 /nfs/dbraw/zinc/32/15/08/306321508.db2.gz VKQVXMDTEMBKFZ-MRXNPFEDSA-N 2 2 349.504 1.245 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ncc[nH]1 ZINC000285890089 540081991 /nfs/dbraw/zinc/08/19/91/540081991.db2.gz CFGQWIINDAPYNW-HNNXBMFYSA-N 2 2 330.432 1.972 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000291114959 540090683 /nfs/dbraw/zinc/09/06/83/540090683.db2.gz CVKBFCZIQAGISA-KRWDZBQOSA-N 2 2 328.416 1.327 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000291114959 540090687 /nfs/dbraw/zinc/09/06/87/540090687.db2.gz CVKBFCZIQAGISA-KRWDZBQOSA-N 2 2 328.416 1.327 20 0 EDADLP COC[C@H](C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761681 138135450 /nfs/dbraw/zinc/13/54/50/138135450.db2.gz ONWFWXFYADMECV-CQSZACIVSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000061744199 138165147 /nfs/dbraw/zinc/16/51/47/138165147.db2.gz YUYPZAABEDJIBD-HDICACEKSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000061744199 138165149 /nfs/dbraw/zinc/16/51/49/138165149.db2.gz YUYPZAABEDJIBD-HDICACEKSA-N 2 2 345.487 1.748 20 0 EDADLP CC(C)C[C@H](CNC(=O)NCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000078407265 138257319 /nfs/dbraw/zinc/25/73/19/138257319.db2.gz LHNVSXGQOUQXNL-MRXNPFEDSA-N 2 2 337.468 1.319 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC(F)(F)F ZINC000413394857 304059668 /nfs/dbraw/zinc/05/96/68/304059668.db2.gz BMMMXPVPOGRDFO-LBPRGKRZSA-N 2 2 338.418 1.900 20 0 EDADLP Cc1ccn2c(CN3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c[nH+]c2c1 ZINC000093821093 138294889 /nfs/dbraw/zinc/29/48/89/138294889.db2.gz VAZJAZPNLRFYHI-QGZVFWFLSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1ccn2c(CN3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c[nH+]c2c1 ZINC000093821093 138294890 /nfs/dbraw/zinc/29/48/90/138294890.db2.gz VAZJAZPNLRFYHI-QGZVFWFLSA-N 2 2 341.459 1.381 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NCc2cccs2)CC[N@@H+]1C ZINC000123061759 138318704 /nfs/dbraw/zinc/31/87/04/138318704.db2.gz RUXIAPHOIVDJJR-OLZOCXBDSA-N 2 2 338.477 1.488 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NCc2cccs2)CC[N@H+]1C ZINC000123061759 138318705 /nfs/dbraw/zinc/31/87/05/138318705.db2.gz RUXIAPHOIVDJJR-OLZOCXBDSA-N 2 2 338.477 1.488 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC(=O)NCc2cccs2)CC[NH+]1C ZINC000123061759 138318706 /nfs/dbraw/zinc/31/87/06/138318706.db2.gz RUXIAPHOIVDJJR-OLZOCXBDSA-N 2 2 338.477 1.488 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC(=O)NCc2cccs2)CC[NH+]1C ZINC000123061759 138318707 /nfs/dbraw/zinc/31/87/07/138318707.db2.gz RUXIAPHOIVDJJR-OLZOCXBDSA-N 2 2 338.477 1.488 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)cn1 ZINC000124010562 138323154 /nfs/dbraw/zinc/32/31/54/138323154.db2.gz HEKZNAKIRWMPJU-GOSISDBHSA-N 2 2 345.491 1.329 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)cn1 ZINC000124010562 138323155 /nfs/dbraw/zinc/32/31/55/138323155.db2.gz HEKZNAKIRWMPJU-GOSISDBHSA-N 2 2 345.491 1.329 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2ccc(Cl)c(F)c2)[C@H](C[NH3+])C1 ZINC000563606052 306341421 /nfs/dbraw/zinc/34/14/21/306341421.db2.gz QCSKKYUXCPZAIR-LLVKDONJSA-N 2 2 344.818 1.142 20 0 EDADLP Cc1[nH+]cn(-c2ccc(NC[C@H](O)CN3CC[NH+](C)CC3)cc2)c1C ZINC000564076354 306354835 /nfs/dbraw/zinc/35/48/35/306354835.db2.gz KLZOXPZZUYPVJK-IBGZPJMESA-N 2 2 343.475 1.509 20 0 EDADLP O=c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccc(O)cc2o1 ZINC000129192392 223030418 /nfs/dbraw/zinc/03/04/18/223030418.db2.gz VRLCIYSMWVOUGC-AWEZNQCLSA-N 2 2 344.411 1.653 20 0 EDADLP O=c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c2ccc(O)cc2o1 ZINC000129192392 223030421 /nfs/dbraw/zinc/03/04/21/223030421.db2.gz VRLCIYSMWVOUGC-AWEZNQCLSA-N 2 2 344.411 1.653 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413844128 304080199 /nfs/dbraw/zinc/08/01/99/304080199.db2.gz LFSNDQUWGPCYHE-IXDOHACOSA-N 2 2 338.540 1.780 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413844128 304080200 /nfs/dbraw/zinc/08/02/00/304080200.db2.gz LFSNDQUWGPCYHE-IXDOHACOSA-N 2 2 338.540 1.780 20 0 EDADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000564799390 306365456 /nfs/dbraw/zinc/36/54/56/306365456.db2.gz WVSXGNWPBJXFOT-JKSUJKDBSA-N 2 2 341.455 1.668 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000564944348 306370852 /nfs/dbraw/zinc/37/08/52/306370852.db2.gz IPLIWXONKIFYEW-CQSZACIVSA-N 2 2 340.265 1.483 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000564944348 306370853 /nfs/dbraw/zinc/37/08/53/306370853.db2.gz IPLIWXONKIFYEW-CQSZACIVSA-N 2 2 340.265 1.483 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129391899 223051417 /nfs/dbraw/zinc/05/14/17/223051417.db2.gz HVPUXBDTDDJFIZ-GOSISDBHSA-N 2 2 345.487 1.608 20 0 EDADLP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129391899 223051421 /nfs/dbraw/zinc/05/14/21/223051421.db2.gz HVPUXBDTDDJFIZ-GOSISDBHSA-N 2 2 345.487 1.608 20 0 EDADLP CC1CC[NH+](C[C@H](O)CN[C@H](c2[nH]cc[nH+]2)c2ccccn2)CC1 ZINC000565154330 306376272 /nfs/dbraw/zinc/37/62/72/306376272.db2.gz CNRVRAPYUOQJFZ-WBVHZDCISA-N 2 2 329.448 1.577 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cccc(CO)n3)c2cc1C ZINC000565302747 306381388 /nfs/dbraw/zinc/38/13/88/306381388.db2.gz GUSJSQHJQOETSU-QGZVFWFLSA-N 2 2 340.427 1.691 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000565343395 306381700 /nfs/dbraw/zinc/38/17/00/306381700.db2.gz KDNBRLCIBPOOHF-HNNXBMFYSA-N 2 2 348.495 1.357 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000565343395 306381701 /nfs/dbraw/zinc/38/17/01/306381701.db2.gz KDNBRLCIBPOOHF-HNNXBMFYSA-N 2 2 348.495 1.357 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000565589682 306387478 /nfs/dbraw/zinc/38/74/78/306387478.db2.gz JTVJXGQTNDKSQO-VBHSOAQHSA-N 2 2 333.432 1.763 20 0 EDADLP Cc1nnc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH]1 ZINC000565634515 306387935 /nfs/dbraw/zinc/38/79/35/306387935.db2.gz DJZZGAUJFLHTGH-OKILXGFUSA-N 2 2 337.468 1.203 20 0 EDADLP Cc1nnc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)[nH]1 ZINC000565634515 306387936 /nfs/dbraw/zinc/38/79/36/306387936.db2.gz DJZZGAUJFLHTGH-OKILXGFUSA-N 2 2 337.468 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)CC1 ZINC000414336977 304107846 /nfs/dbraw/zinc/10/78/46/304107846.db2.gz HXZBAANAPAUEHW-HOCLYGCPSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)CC1 ZINC000414336977 304107847 /nfs/dbraw/zinc/10/78/47/304107847.db2.gz HXZBAANAPAUEHW-HOCLYGCPSA-N 2 2 339.480 1.251 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841304 306393291 /nfs/dbraw/zinc/39/32/91/306393291.db2.gz RGOLRZRLZJSARU-JKSUJKDBSA-N 2 2 334.464 1.353 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841304 306393292 /nfs/dbraw/zinc/39/32/92/306393292.db2.gz RGOLRZRLZJSARU-JKSUJKDBSA-N 2 2 334.464 1.353 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841304 306393293 /nfs/dbraw/zinc/39/32/93/306393293.db2.gz RGOLRZRLZJSARU-JKSUJKDBSA-N 2 2 334.464 1.353 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841304 306393294 /nfs/dbraw/zinc/39/32/94/306393294.db2.gz RGOLRZRLZJSARU-JKSUJKDBSA-N 2 2 334.464 1.353 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000132711976 223356488 /nfs/dbraw/zinc/35/64/88/223356488.db2.gz WVWRBFOZFAOBGJ-OAHLLOKOSA-N 2 2 334.851 1.930 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000132711976 223356490 /nfs/dbraw/zinc/35/64/90/223356490.db2.gz WVWRBFOZFAOBGJ-OAHLLOKOSA-N 2 2 334.851 1.930 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)OCCCO2 ZINC000268857356 296123145 /nfs/dbraw/zinc/12/31/45/296123145.db2.gz DCTUZOPFZBUNGD-GDBMZVCRSA-N 2 2 347.459 1.838 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)OCCCO2 ZINC000268857356 296123147 /nfs/dbraw/zinc/12/31/47/296123147.db2.gz DCTUZOPFZBUNGD-GDBMZVCRSA-N 2 2 347.459 1.838 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000364309621 296139519 /nfs/dbraw/zinc/13/95/19/296139519.db2.gz QXBTYQVYTZWVFT-GOSISDBHSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000364309621 296139522 /nfs/dbraw/zinc/13/95/22/296139522.db2.gz QXBTYQVYTZWVFT-GOSISDBHSA-N 2 2 335.492 1.717 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N(C)[C@H]2CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000567093818 306437395 /nfs/dbraw/zinc/43/73/95/306437395.db2.gz GZOKIPSAIVNQBC-YOEHRIQHSA-N 2 2 332.448 1.905 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)ccc1OCc1ccncc1 ZINC000415096738 304159651 /nfs/dbraw/zinc/15/96/51/304159651.db2.gz QMUUQDFMNYKGKM-KRWDZBQOSA-N 2 2 343.427 1.747 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCC[NH+](C)C)ccc1Oc1cc[nH+]cc1 ZINC000194831692 139000944 /nfs/dbraw/zinc/00/09/44/139000944.db2.gz ZFUYHAJRKGLIPT-UHFFFAOYSA-N 2 2 342.399 1.799 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H](C)O1 ZINC000194842348 139001177 /nfs/dbraw/zinc/00/11/77/139001177.db2.gz UCNQXHRXNPBMON-GASCZTMLSA-N 2 2 349.479 1.398 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H](C)O1 ZINC000194842348 139001178 /nfs/dbraw/zinc/00/11/78/139001178.db2.gz UCNQXHRXNPBMON-GASCZTMLSA-N 2 2 349.479 1.398 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CSC[NH2+]1 ZINC000195173417 139008688 /nfs/dbraw/zinc/00/86/88/139008688.db2.gz DVQVBPLFUPUWFH-OAHLLOKOSA-N 2 2 341.427 1.708 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(OC3CCCC3)CC2)CC1 ZINC000195318590 139013618 /nfs/dbraw/zinc/01/36/18/139013618.db2.gz LRAWADSHKBTSOA-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000236835873 139033056 /nfs/dbraw/zinc/03/30/56/139033056.db2.gz HGMQOPGLRRFLPW-OAHLLOKOSA-N 2 2 333.480 1.930 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000236889070 139034303 /nfs/dbraw/zinc/03/43/03/139034303.db2.gz FVZGAGHSFFAIOJ-LPHOPBHVSA-N 2 2 346.519 1.814 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3COCC[NH2+]3)c(C)c2)CC1 ZINC000237010063 139037956 /nfs/dbraw/zinc/03/79/56/139037956.db2.gz OIZPNJULGLNPKO-KRWDZBQOSA-N 2 2 332.448 1.064 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3CC[NH2+]CC3)c[nH+]2)C[C@@H](C)O1 ZINC000237439910 139051250 /nfs/dbraw/zinc/05/12/50/139051250.db2.gz XDCSFABQXNGWIK-ZIAGYGMSSA-N 2 2 332.448 1.311 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000237442389 139051469 /nfs/dbraw/zinc/05/14/69/139051469.db2.gz MXGDQAQSFKPLMG-IIAWOOMASA-N 2 2 332.448 1.454 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CCCCCC[NH3+])c[nH+]2)CCO1 ZINC000237695129 139058188 /nfs/dbraw/zinc/05/81/88/139058188.db2.gz HROMJKVVLOAVMZ-HNNXBMFYSA-N 2 2 334.464 1.832 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000111796187 220192005 /nfs/dbraw/zinc/19/20/05/220192005.db2.gz YSIOHIFAHXUTLN-OAHLLOKOSA-N 2 2 338.452 1.246 20 0 EDADLP [NH3+]Cc1nc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cs1 ZINC000238025464 139066934 /nfs/dbraw/zinc/06/69/34/139066934.db2.gz VFBSLDXXUROETM-UHFFFAOYSA-N 2 2 346.456 1.439 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000081349287 217385947 /nfs/dbraw/zinc/38/59/47/217385947.db2.gz BPOOKYMYUDAODD-MAUKXSAKSA-N 2 2 347.459 1.231 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000081349287 217385950 /nfs/dbraw/zinc/38/59/50/217385950.db2.gz BPOOKYMYUDAODD-MAUKXSAKSA-N 2 2 347.459 1.231 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000567678286 306458609 /nfs/dbraw/zinc/45/86/09/306458609.db2.gz OYKINOPCTBFDBP-MRXNPFEDSA-N 2 2 347.459 1.881 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC[C@H]21 ZINC000245556708 139079316 /nfs/dbraw/zinc/07/93/16/139079316.db2.gz SDCRRNCZBWIOFR-IXDOHACOSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC[C@H]21 ZINC000245556708 139079317 /nfs/dbraw/zinc/07/93/17/139079317.db2.gz SDCRRNCZBWIOFR-IXDOHACOSA-N 2 2 343.475 1.786 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)[C@H](C)C1 ZINC000245914549 139089643 /nfs/dbraw/zinc/08/96/43/139089643.db2.gz WDZJFYWGZVZCJS-CQSZACIVSA-N 2 2 335.448 1.776 20 0 EDADLP COC(=O)CC[N@H+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)[C@H](C)C1 ZINC000245914549 139089644 /nfs/dbraw/zinc/08/96/44/139089644.db2.gz WDZJFYWGZVZCJS-CQSZACIVSA-N 2 2 335.448 1.776 20 0 EDADLP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000246495318 139110746 /nfs/dbraw/zinc/11/07/46/139110746.db2.gz SVLOUDYTTHSFEO-SOUVJXGZSA-N 2 2 338.452 1.291 20 0 EDADLP O=C1O[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CN1c1ccccc1 ZINC000246725213 139118964 /nfs/dbraw/zinc/11/89/64/139118964.db2.gz LVCUNYAVEPGIMK-WMZOPIPTSA-N 2 2 345.443 1.666 20 0 EDADLP O=C1O[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CN1c1ccccc1 ZINC000246725213 139118965 /nfs/dbraw/zinc/11/89/65/139118965.db2.gz LVCUNYAVEPGIMK-WMZOPIPTSA-N 2 2 345.443 1.666 20 0 EDADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000415352613 304201444 /nfs/dbraw/zinc/20/14/44/304201444.db2.gz BMMALKMGBXXFRW-CYBMUJFWSA-N 2 2 340.383 1.620 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CC[NH2+]C1 ZINC000415385534 304210714 /nfs/dbraw/zinc/21/07/14/304210714.db2.gz AWNXGQUGZIMXLO-CQSZACIVSA-N 2 2 329.404 1.182 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247786756 139155085 /nfs/dbraw/zinc/15/50/85/139155085.db2.gz YMZCOSRKAQAXFO-SJLPKXTDSA-N 2 2 342.443 1.961 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247786756 139155086 /nfs/dbraw/zinc/15/50/86/139155086.db2.gz YMZCOSRKAQAXFO-SJLPKXTDSA-N 2 2 342.443 1.961 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247955823 139156054 /nfs/dbraw/zinc/15/60/54/139156054.db2.gz FOGKHWVRLIEKNK-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247955823 139156055 /nfs/dbraw/zinc/15/60/55/139156055.db2.gz FOGKHWVRLIEKNK-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247955823 139156056 /nfs/dbraw/zinc/15/60/56/139156056.db2.gz FOGKHWVRLIEKNK-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247955823 139156057 /nfs/dbraw/zinc/15/60/57/139156057.db2.gz FOGKHWVRLIEKNK-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC[C@]3(C)C(N)=O)c2cc1C ZINC000248552735 139167353 /nfs/dbraw/zinc/16/73/53/139167353.db2.gz AIFPHJBWFMPULB-DNVCBOLYSA-N 2 2 344.459 1.744 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC[C@]3(C)C(N)=O)c2cc1C ZINC000248552735 139167354 /nfs/dbraw/zinc/16/73/54/139167354.db2.gz AIFPHJBWFMPULB-DNVCBOLYSA-N 2 2 344.459 1.744 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000568863983 306490849 /nfs/dbraw/zinc/49/08/49/306490849.db2.gz OPVCJZXATCRXBK-CABCVRRESA-N 2 2 338.452 1.249 20 0 EDADLP CO[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1C ZINC000251517021 139201766 /nfs/dbraw/zinc/20/17/66/139201766.db2.gz CKYAEHVVEJDQRB-DLBZAZTESA-N 2 2 346.475 1.477 20 0 EDADLP CO[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1C ZINC000251517021 139201767 /nfs/dbraw/zinc/20/17/67/139201767.db2.gz CKYAEHVVEJDQRB-DLBZAZTESA-N 2 2 346.475 1.477 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH2+][C@H](c3ccncc3)C1)CC2 ZINC000569009684 306494619 /nfs/dbraw/zinc/49/46/19/306494619.db2.gz CZLNEFPNLIFEQC-WBVHZDCISA-N 2 2 325.416 1.322 20 0 EDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261632994 139212984 /nfs/dbraw/zinc/21/29/84/139212984.db2.gz HTZUATKXMURDCY-RYUDHWBXSA-N 2 2 327.881 1.901 20 0 EDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261632994 139212985 /nfs/dbraw/zinc/21/29/85/139212985.db2.gz HTZUATKXMURDCY-RYUDHWBXSA-N 2 2 327.881 1.901 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261633892 139212996 /nfs/dbraw/zinc/21/29/96/139212996.db2.gz AFNUDFSMAGMFIX-CALCHBBNSA-N 2 2 343.471 1.590 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1)N1CC[NH2+]CC1 ZINC000261755382 139223367 /nfs/dbraw/zinc/22/33/67/139223367.db2.gz CLOFIBFEUALLNA-LLVKDONJSA-N 2 2 345.369 1.072 20 0 EDADLP O=C([C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1)N1CC[NH2+]CC1 ZINC000261755382 139223368 /nfs/dbraw/zinc/22/33/68/139223368.db2.gz CLOFIBFEUALLNA-LLVKDONJSA-N 2 2 345.369 1.072 20 0 EDADLP Cc1[nH+]c2c(c(=O)[nH]n2C)c(C)c1Cc1nc(C2([NH3+])CCCC2)no1 ZINC000261830990 139229793 /nfs/dbraw/zinc/22/97/93/139229793.db2.gz REFRCCWVVLNCOE-UHFFFAOYSA-N 2 2 342.403 1.580 20 0 EDADLP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261932076 139238110 /nfs/dbraw/zinc/23/81/10/139238110.db2.gz ZZKXEEVIVLGUFD-LIRRHRJNSA-N 2 2 349.475 1.860 20 0 EDADLP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261932076 139238111 /nfs/dbraw/zinc/23/81/11/139238111.db2.gz ZZKXEEVIVLGUFD-LIRRHRJNSA-N 2 2 349.475 1.860 20 0 EDADLP O=C(CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1F ZINC000261975310 139241152 /nfs/dbraw/zinc/24/11/52/139241152.db2.gz QUDSRJNLIJIFPO-OAHLLOKOSA-N 2 2 334.439 1.381 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000262183215 139258069 /nfs/dbraw/zinc/25/80/69/139258069.db2.gz IYNRXUXMFWESPO-QFBILLFUSA-N 2 2 346.475 1.258 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)cn21 ZINC000416007349 251046677 /nfs/dbraw/zinc/04/66/77/251046677.db2.gz MTWWAEPPGPRELJ-NSHDSACASA-N 2 2 329.326 1.722 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000416993412 251121509 /nfs/dbraw/zinc/12/15/09/251121509.db2.gz SLPIIKLKKQKKCM-HOCLYGCPSA-N 2 2 331.464 1.951 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000416880425 251117663 /nfs/dbraw/zinc/11/76/63/251117663.db2.gz DZDFLLBMIBIQJH-AEFFLSMTSA-N 2 2 346.475 1.359 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416987305 251119951 /nfs/dbraw/zinc/11/99/51/251119951.db2.gz MSOBKDVWLBOHTK-MELADBBJSA-N 2 2 335.452 1.184 20 0 EDADLP CN(C)c1ccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)c[nH+]1 ZINC000417012052 251130775 /nfs/dbraw/zinc/13/07/75/251130775.db2.gz VEOKTOUZERTZAD-UHFFFAOYSA-N 2 2 327.432 1.818 20 0 EDADLP C[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)[C@H](C)[NH3+] ZINC000417221954 251148069 /nfs/dbraw/zinc/14/80/69/251148069.db2.gz PEXHKMMSQJACEB-DTWKUNHWSA-N 2 2 340.225 1.632 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417271650 251151906 /nfs/dbraw/zinc/15/19/06/251151906.db2.gz SSXUPHRMMYEOGZ-AWEZNQCLSA-N 2 2 335.358 1.669 20 0 EDADLP Cc1noc(C)c1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262341187 139271539 /nfs/dbraw/zinc/27/15/39/139271539.db2.gz HXFNJXGLVHYDGP-CQSZACIVSA-N 2 2 343.431 1.809 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)c1 ZINC000262438471 139279034 /nfs/dbraw/zinc/27/90/34/139279034.db2.gz UOHJIWANEHWKDX-AWEZNQCLSA-N 2 2 347.459 1.204 20 0 EDADLP C[NH2+]C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000417834104 251291009 /nfs/dbraw/zinc/29/10/09/251291009.db2.gz FKILEHVIWAWPKA-KRWDZBQOSA-N 2 2 341.459 1.877 20 0 EDADLP CCn1c[nH+]cc1CN1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000417775236 251265655 /nfs/dbraw/zinc/26/56/55/251265655.db2.gz OMPGIPOAFTXNGB-SFHVURJKSA-N 2 2 344.459 1.461 20 0 EDADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)COc1ccc2c(c1)OCO2 ZINC000569449349 306508029 /nfs/dbraw/zinc/50/80/29/306508029.db2.gz JWYQXEVNBIJQQI-CQSZACIVSA-N 2 2 345.399 1.642 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])[NH+]2CCOCC2)s1 ZINC000417813257 251280694 /nfs/dbraw/zinc/28/06/94/251280694.db2.gz GDDLNBBUZSSXMN-CYBMUJFWSA-N 2 2 340.493 1.466 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000418719323 251397277 /nfs/dbraw/zinc/39/72/77/251397277.db2.gz FEPNWZURRKVYKP-ZIAGYGMSSA-N 2 2 330.423 1.501 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418678769 251384615 /nfs/dbraw/zinc/38/46/15/251384615.db2.gz ARTHZQNTNJEVHA-KGLIPLIRSA-N 2 2 335.452 1.438 20 0 EDADLP CS[C@@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000340254135 295639506 /nfs/dbraw/zinc/63/95/06/295639506.db2.gz SOGHPDSMGNTGKY-GDBMZVCRSA-N 2 2 342.553 1.986 20 0 EDADLP Cc1cc(CNC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc(C)[nH+]1 ZINC000422200525 251901238 /nfs/dbraw/zinc/90/12/38/251901238.db2.gz FPNIXVWZXRKQBU-MRXNPFEDSA-N 2 2 348.491 1.933 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262895023 139311031 /nfs/dbraw/zinc/31/10/31/139311031.db2.gz OZEBEWCTJYYBRB-VYDXJSESSA-N 2 2 348.466 1.593 20 0 EDADLP [NH3+][C@H](CC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000423319759 252045972 /nfs/dbraw/zinc/04/59/72/252045972.db2.gz CXYMQHMZECQCLY-QGZVFWFLSA-N 2 2 346.475 1.832 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000423514276 252058237 /nfs/dbraw/zinc/05/82/37/252058237.db2.gz MIIMKENKIXDLDQ-BBRMVZONSA-N 2 2 340.493 1.002 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423736231 252067571 /nfs/dbraw/zinc/06/75/71/252067571.db2.gz YCYFOVOSHPEIPY-INIZCTEOSA-N 2 2 333.432 1.174 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423736231 252067573 /nfs/dbraw/zinc/06/75/73/252067573.db2.gz YCYFOVOSHPEIPY-INIZCTEOSA-N 2 2 333.432 1.174 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c2)CC1 ZINC000423842702 252089114 /nfs/dbraw/zinc/08/91/14/252089114.db2.gz LSVDHHSWYJIQIA-UONOGXRCSA-N 2 2 332.448 1.273 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000423809296 252084108 /nfs/dbraw/zinc/08/41/08/252084108.db2.gz YLGWEIOUIHOHSJ-GUYCJALGSA-N 2 2 326.400 1.485 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371293457 296332050 /nfs/dbraw/zinc/33/20/50/296332050.db2.gz GRPDDWJIQYLPHA-DISONHOPSA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371293457 296332053 /nfs/dbraw/zinc/33/20/53/296332053.db2.gz GRPDDWJIQYLPHA-DISONHOPSA-N 2 2 337.508 1.865 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)C1 ZINC000424185998 252156674 /nfs/dbraw/zinc/15/66/74/252156674.db2.gz GTYMVLJZVMGGAF-BMHLXIAXSA-N 2 2 347.507 1.486 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)C1 ZINC000424185998 252156677 /nfs/dbraw/zinc/15/66/77/252156677.db2.gz GTYMVLJZVMGGAF-BMHLXIAXSA-N 2 2 347.507 1.486 20 0 EDADLP c1cc(-c2noc(C[NH+]3CCC(n4ncc5c4C[NH2+]C5)CC3)n2)co1 ZINC000424287024 252190221 /nfs/dbraw/zinc/19/02/21/252190221.db2.gz IETVFRBSIOSMMA-UHFFFAOYSA-N 2 2 340.387 1.966 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000424444271 252232365 /nfs/dbraw/zinc/23/23/65/252232365.db2.gz ZPORIYYTDAQTKR-UHFFFAOYSA-N 2 2 341.415 1.406 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000263644598 139349548 /nfs/dbraw/zinc/34/95/48/139349548.db2.gz BUTFCVFFALNFSU-ZWKOTPCHSA-N 2 2 331.460 1.345 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000263644598 139349549 /nfs/dbraw/zinc/34/95/49/139349549.db2.gz BUTFCVFFALNFSU-ZWKOTPCHSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000263644598 139349550 /nfs/dbraw/zinc/34/95/50/139349550.db2.gz BUTFCVFFALNFSU-ZWKOTPCHSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263644598 139349551 /nfs/dbraw/zinc/34/95/51/139349551.db2.gz BUTFCVFFALNFSU-ZWKOTPCHSA-N 2 2 331.460 1.345 20 0 EDADLP C(=C\c1ccncc1)\C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000486943034 255020414 /nfs/dbraw/zinc/02/04/14/255020414.db2.gz XARCHJADXIAVEQ-RJRFIUFISA-N 2 2 338.459 1.687 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ncnn2CC(F)F)[C@@H](C)C1 ZINC000488005068 255040430 /nfs/dbraw/zinc/04/04/30/255040430.db2.gz XVEDEPZKWYHYBW-KBPBESRZSA-N 2 2 345.438 1.770 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ncnn2CC(F)F)[C@@H](C)C1 ZINC000488005068 255040432 /nfs/dbraw/zinc/04/04/32/255040432.db2.gz XVEDEPZKWYHYBW-KBPBESRZSA-N 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255201995 /nfs/dbraw/zinc/20/19/95/255201995.db2.gz TXIXIBBCFIPIRA-WAYWQWQTSA-N 2 2 326.400 1.936 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cncc(F)c3)cc2)CC1 ZINC000494605859 255255609 /nfs/dbraw/zinc/25/56/09/255255609.db2.gz AFNAXYKLRHIZCK-UHFFFAOYSA-N 2 2 342.418 1.898 20 0 EDADLP CCc1nc(N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC000495765920 255322726 /nfs/dbraw/zinc/32/27/26/255322726.db2.gz ZUCMOPAWMBIATL-AWEZNQCLSA-N 2 2 349.479 1.993 20 0 EDADLP CCc1nc(N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC000495765920 255322727 /nfs/dbraw/zinc/32/27/27/255322727.db2.gz ZUCMOPAWMBIATL-AWEZNQCLSA-N 2 2 349.479 1.993 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496165970 255360070 /nfs/dbraw/zinc/36/00/70/255360070.db2.gz BKVKRRXIGBKBCG-CQSZACIVSA-N 2 2 329.485 1.678 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496165970 255360071 /nfs/dbraw/zinc/36/00/71/255360071.db2.gz BKVKRRXIGBKBCG-CQSZACIVSA-N 2 2 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Cn1cc[nH+]c1CNC(=O)N1C[C@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000369741604 155157840 /nfs/dbraw/zinc/15/78/40/155157840.db2.gz MWRFMBXQVFZWEU-NUJGCVRESA-N 2 2 339.443 1.864 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1C[C@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000369741604 155157845 /nfs/dbraw/zinc/15/78/45/155157845.db2.gz MWRFMBXQVFZWEU-NUJGCVRESA-N 2 2 339.443 1.864 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2[C@H](c3ccccc3)[N@@H+](C)C[C@@H]2C1 ZINC000369741606 155158469 /nfs/dbraw/zinc/15/84/69/155158469.db2.gz MWRFMBXQVFZWEU-RYRKJORJSA-N 2 2 339.443 1.864 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2[C@H](c3ccccc3)[N@H+](C)C[C@@H]2C1 ZINC000369741606 155158472 /nfs/dbraw/zinc/15/84/72/155158472.db2.gz MWRFMBXQVFZWEU-RYRKJORJSA-N 2 2 339.443 1.864 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369873588 155213085 /nfs/dbraw/zinc/21/30/85/155213085.db2.gz PBPFYQZUBGLIMU-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369873588 155213088 /nfs/dbraw/zinc/21/30/88/155213088.db2.gz PBPFYQZUBGLIMU-HNNXBMFYSA-N 2 2 328.420 1.551 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416892531 304353494 /nfs/dbraw/zinc/35/34/94/304353494.db2.gz OVPCGBPSIHZFCI-HYVNUMGLSA-N 2 2 332.448 1.191 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000165677867 292199025 /nfs/dbraw/zinc/19/90/25/292199025.db2.gz UKQUPYRDCDKWHU-QZTJIDSGSA-N 2 2 331.460 1.627 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352750968 149149419 /nfs/dbraw/zinc/14/94/19/149149419.db2.gz YUWAQMSVNRNVHH-UHFFFAOYSA-N 2 2 325.376 1.735 20 0 EDADLP CC[C@@H](C)[C@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000352843782 149188310 /nfs/dbraw/zinc/18/83/10/149188310.db2.gz QTDKHNFJKVKSAU-PBHICJAKSA-N 2 2 340.512 1.022 20 0 EDADLP CC[C@@H](C)[C@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000352843782 149188312 /nfs/dbraw/zinc/18/83/12/149188312.db2.gz QTDKHNFJKVKSAU-PBHICJAKSA-N 2 2 340.512 1.022 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000352900559 149209275 /nfs/dbraw/zinc/20/92/75/149209275.db2.gz MNIYIOKYCFAWFO-INIZCTEOSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000352900559 149209279 /nfs/dbraw/zinc/20/92/79/149209279.db2.gz MNIYIOKYCFAWFO-INIZCTEOSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000352900559 149209283 /nfs/dbraw/zinc/20/92/83/149209283.db2.gz MNIYIOKYCFAWFO-INIZCTEOSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000352900559 149209287 /nfs/dbraw/zinc/20/92/87/149209287.db2.gz MNIYIOKYCFAWFO-INIZCTEOSA-N 2 2 346.475 1.233 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000353422572 149398896 /nfs/dbraw/zinc/39/88/96/149398896.db2.gz BDNKXJLEYHWXJM-FSDCSDTHSA-N 2 2 346.475 1.700 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000416979247 304359952 /nfs/dbraw/zinc/35/99/52/304359952.db2.gz WVYDXDNDNOMELV-HNNXBMFYSA-N 2 2 335.452 1.091 20 0 EDADLP COc1c(O)cccc1C[NH2+]C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354877924 150007019 /nfs/dbraw/zinc/00/70/19/150007019.db2.gz YUSGPSSDKQJFHN-HUUCEWRRSA-N 2 2 348.422 1.837 20 0 EDADLP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000416980699 304360939 /nfs/dbraw/zinc/36/09/39/304360939.db2.gz ZEDBROOVTAEFNI-AWEZNQCLSA-N 2 2 331.464 1.951 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000355059532 150096651 /nfs/dbraw/zinc/09/66/51/150096651.db2.gz DIZRFKLIXUYFBG-QGZVFWFLSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000355059532 150096654 /nfs/dbraw/zinc/09/66/54/150096654.db2.gz DIZRFKLIXUYFBG-QGZVFWFLSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@]2(C)CCOC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355095853 150114981 /nfs/dbraw/zinc/11/49/81/150114981.db2.gz CGSYHWDIQHOGQS-YJBOKZPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@]2(C)CCOC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355095853 150114983 /nfs/dbraw/zinc/11/49/83/150114983.db2.gz CGSYHWDIQHOGQS-YJBOKZPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CCCO1 ZINC000355441455 150269389 /nfs/dbraw/zinc/26/93/89/150269389.db2.gz BYJCUFPMXRXLCM-GOEBONIOSA-N 2 2 349.479 1.671 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CCCO1 ZINC000355441455 150269391 /nfs/dbraw/zinc/26/93/91/150269391.db2.gz BYJCUFPMXRXLCM-GOEBONIOSA-N 2 2 349.479 1.671 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1CCOCC1 ZINC000355483539 150287298 /nfs/dbraw/zinc/28/72/98/150287298.db2.gz SKCNQMBRGGIMMR-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)CCO1 ZINC000355612933 150335993 /nfs/dbraw/zinc/33/59/93/150335993.db2.gz VWHNKGSQQTXQLO-ZDUSSCGKSA-N 2 2 336.436 1.062 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)CCO1 ZINC000355612933 150335996 /nfs/dbraw/zinc/33/59/96/150335996.db2.gz VWHNKGSQQTXQLO-ZDUSSCGKSA-N 2 2 336.436 1.062 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000355658476 150352839 /nfs/dbraw/zinc/35/28/39/150352839.db2.gz KVBVMAPLBMNVCK-LSDHHAIUSA-N 2 2 348.491 1.865 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000355658476 150352842 /nfs/dbraw/zinc/35/28/42/150352842.db2.gz KVBVMAPLBMNVCK-LSDHHAIUSA-N 2 2 348.491 1.865 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000355658476 150352845 /nfs/dbraw/zinc/35/28/45/150352845.db2.gz KVBVMAPLBMNVCK-LSDHHAIUSA-N 2 2 348.491 1.865 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417034712 304363576 /nfs/dbraw/zinc/36/35/76/304363576.db2.gz JGAUVMROXPBFRJ-QGZVFWFLSA-N 2 2 334.464 1.359 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000357361204 151007055 /nfs/dbraw/zinc/00/70/55/151007055.db2.gz FBHDTQMYVNDLRE-MRXNPFEDSA-N 2 2 341.459 1.275 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000357361204 151007057 /nfs/dbraw/zinc/00/70/57/151007057.db2.gz FBHDTQMYVNDLRE-MRXNPFEDSA-N 2 2 341.459 1.275 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000357373854 151010643 /nfs/dbraw/zinc/01/06/43/151010643.db2.gz MKOSIWGMLNXRKA-SFHVURJKSA-N 2 2 342.443 1.772 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCO1 ZINC000357373854 151010649 /nfs/dbraw/zinc/01/06/49/151010649.db2.gz MKOSIWGMLNXRKA-SFHVURJKSA-N 2 2 342.443 1.772 20 0 EDADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647082 151099346 /nfs/dbraw/zinc/09/93/46/151099346.db2.gz MGYOOPDYMCFWEB-SFHVURJKSA-N 2 2 349.475 1.801 20 0 EDADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647082 151099348 /nfs/dbraw/zinc/09/93/48/151099348.db2.gz MGYOOPDYMCFWEB-SFHVURJKSA-N 2 2 349.475 1.801 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCc2c[nH+]cn2C)[NH+]2CCCC2)o1 ZINC000357733371 151130829 /nfs/dbraw/zinc/13/08/29/151130829.db2.gz TTWXKWTZAISSOR-OAHLLOKOSA-N 2 2 331.420 1.958 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000357773714 151147734 /nfs/dbraw/zinc/14/77/34/151147734.db2.gz HUEXZVTVWKTFHA-XHSDSOJGSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000357773714 151147736 /nfs/dbraw/zinc/14/77/36/151147736.db2.gz HUEXZVTVWKTFHA-XHSDSOJGSA-N 2 2 328.501 1.515 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cnn(C(F)F)c2)CC1 ZINC000357823468 151163220 /nfs/dbraw/zinc/16/32/20/151163220.db2.gz VOKMGIMDKIYCFR-UHFFFAOYSA-N 2 2 330.383 1.426 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000358030579 151239812 /nfs/dbraw/zinc/23/98/12/151239812.db2.gz XPMCNPBVAGRNGT-RISCZKNCSA-N 2 2 331.869 1.158 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000358030579 151239814 /nfs/dbraw/zinc/23/98/14/151239814.db2.gz XPMCNPBVAGRNGT-RISCZKNCSA-N 2 2 331.869 1.158 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358094947 151267956 /nfs/dbraw/zinc/26/79/56/151267956.db2.gz HFDFVUBOGAPDFR-RHSMWYFYSA-N 2 2 339.505 1.554 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358094947 151267959 /nfs/dbraw/zinc/26/79/59/151267959.db2.gz HFDFVUBOGAPDFR-RHSMWYFYSA-N 2 2 339.505 1.554 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000358167890 151293209 /nfs/dbraw/zinc/29/32/09/151293209.db2.gz ZAOQIJMICXXJBI-LSTHTHJFSA-N 2 2 344.503 1.745 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000358167890 151293211 /nfs/dbraw/zinc/29/32/11/151293211.db2.gz ZAOQIJMICXXJBI-LSTHTHJFSA-N 2 2 344.503 1.745 20 0 EDADLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1=O ZINC000358183158 151297792 /nfs/dbraw/zinc/29/77/92/151297792.db2.gz DQTTWQIURAHICX-SIZVQLJJSA-N 2 2 342.487 1.891 20 0 EDADLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1=O ZINC000358183158 151297793 /nfs/dbraw/zinc/29/77/93/151297793.db2.gz DQTTWQIURAHICX-SIZVQLJJSA-N 2 2 342.487 1.891 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000358392949 151360532 /nfs/dbraw/zinc/36/05/32/151360532.db2.gz FWYXDNNBNMZYQP-DVOMOZLQSA-N 2 2 325.478 1.538 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000358392949 151360534 /nfs/dbraw/zinc/36/05/34/151360534.db2.gz FWYXDNNBNMZYQP-DVOMOZLQSA-N 2 2 325.478 1.538 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC000356982685 292251004 /nfs/dbraw/zinc/25/10/04/292251004.db2.gz VJPSXNSJWUZPPN-ROUUACIJSA-N 2 2 331.460 1.579 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000356982685 292251005 /nfs/dbraw/zinc/25/10/05/292251005.db2.gz VJPSXNSJWUZPPN-ROUUACIJSA-N 2 2 331.460 1.579 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000360559983 152095837 /nfs/dbraw/zinc/09/58/37/152095837.db2.gz DORKJLIRCAINSV-IFXJQAMLSA-N 2 2 347.459 1.394 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000360559983 152095839 /nfs/dbraw/zinc/09/58/39/152095839.db2.gz DORKJLIRCAINSV-IFXJQAMLSA-N 2 2 347.459 1.394 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000360789712 152206039 /nfs/dbraw/zinc/20/60/39/152206039.db2.gz WVQJNMVEZQRCKT-SJORKVTESA-N 2 2 340.512 1.613 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000360789712 152206041 /nfs/dbraw/zinc/20/60/41/152206041.db2.gz WVQJNMVEZQRCKT-SJORKVTESA-N 2 2 340.512 1.613 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000361068628 152294472 /nfs/dbraw/zinc/29/44/72/152294472.db2.gz QWYKJSWSGYJKEM-CVEARBPZSA-N 2 2 338.448 1.267 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000361068628 152294474 /nfs/dbraw/zinc/29/44/74/152294474.db2.gz QWYKJSWSGYJKEM-CVEARBPZSA-N 2 2 338.448 1.267 20 0 EDADLP O=S(=O)(c1cccs1)N1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000361268797 152349815 /nfs/dbraw/zinc/34/98/15/152349815.db2.gz MBUZAJXNZNNRRO-UHFFFAOYSA-N 2 2 340.474 1.388 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361289696 152354138 /nfs/dbraw/zinc/35/41/38/152354138.db2.gz WMPHUOSCJMCYLO-HZPDHXFCSA-N 2 2 347.463 1.436 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370151168 155351721 /nfs/dbraw/zinc/35/17/21/155351721.db2.gz UYCBUJZFTNSFCM-MJGOQNOKSA-N 2 2 344.503 1.891 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370151168 155351724 /nfs/dbraw/zinc/35/17/24/155351724.db2.gz UYCBUJZFTNSFCM-MJGOQNOKSA-N 2 2 344.503 1.891 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000363791334 153058082 /nfs/dbraw/zinc/05/80/82/153058082.db2.gz VDVQCHMOLJSWNU-KBAYOESNSA-N 2 2 336.476 1.951 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCN4C(=O)OC[C@@H]4C3)c2cc1C ZINC000363867599 153079661 /nfs/dbraw/zinc/07/96/61/153079661.db2.gz WEYOLWMAMXROQJ-GJZGRUSLSA-N 2 2 344.415 1.150 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCN4C(=O)OC[C@@H]4C3)c2cc1C ZINC000363867599 153079663 /nfs/dbraw/zinc/07/96/63/153079663.db2.gz WEYOLWMAMXROQJ-GJZGRUSLSA-N 2 2 344.415 1.150 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](n3nc(C)nc3C)C2)CC1 ZINC000363964536 153109571 /nfs/dbraw/zinc/10/95/71/153109571.db2.gz QKYDNZULIGONFG-YOEHRIQHSA-N 2 2 348.495 1.084 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](n3nc(C)nc3C)C2)CC1 ZINC000363964536 153109574 /nfs/dbraw/zinc/10/95/74/153109574.db2.gz QKYDNZULIGONFG-YOEHRIQHSA-N 2 2 348.495 1.084 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000363984340 153114658 /nfs/dbraw/zinc/11/46/58/153114658.db2.gz GNFLCDBJWCLYQX-HNNXBMFYSA-N 2 2 342.447 1.914 20 0 EDADLP CCCS(=O)(=O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364132909 153152639 /nfs/dbraw/zinc/15/26/39/153152639.db2.gz LXXAJYMNBHSKCS-UHFFFAOYSA-N 2 2 332.510 1.246 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364220046 153178939 /nfs/dbraw/zinc/17/89/39/153178939.db2.gz XVKOWWMCQCFRMT-DAYGRLMNSA-N 2 2 349.500 1.579 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H]4CCOC(=O)[C@@H]43)c2cc1C ZINC000364343947 153211898 /nfs/dbraw/zinc/21/18/98/153211898.db2.gz PWFIIBZBJHLECL-HDMKZQKVSA-N 2 2 343.427 1.651 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H]4CCOC(=O)[C@@H]43)c2cc1C ZINC000364343947 153211900 /nfs/dbraw/zinc/21/19/00/153211900.db2.gz PWFIIBZBJHLECL-HDMKZQKVSA-N 2 2 343.427 1.651 20 0 EDADLP Cc1c([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cnn1C(C)C ZINC000364456157 153242899 /nfs/dbraw/zinc/24/28/99/153242899.db2.gz DGWXIYWSMSADSE-WMZOPIPTSA-N 2 2 349.523 1.830 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000364767587 153327716 /nfs/dbraw/zinc/32/77/16/153327716.db2.gz DQWHJLIMGAPBMN-UHFFFAOYSA-N 2 2 332.404 1.116 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000367116300 154012851 /nfs/dbraw/zinc/01/28/51/154012851.db2.gz AOVYHMARRFKSLV-SFHVURJKSA-N 2 2 344.503 1.893 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000367116300 154012853 /nfs/dbraw/zinc/01/28/53/154012853.db2.gz AOVYHMARRFKSLV-SFHVURJKSA-N 2 2 344.503 1.893 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367289598 154067832 /nfs/dbraw/zinc/06/78/32/154067832.db2.gz AZQJQGYNMIKXOG-VFQAQYNWSA-N 2 2 332.354 1.951 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)cs1 ZINC000367369605 154091214 /nfs/dbraw/zinc/09/12/14/154091214.db2.gz FUMQQMPTRAVWIY-CZUORRHYSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)cs1 ZINC000367369605 154091216 /nfs/dbraw/zinc/09/12/16/154091216.db2.gz FUMQQMPTRAVWIY-CZUORRHYSA-N 2 2 336.505 1.874 20 0 EDADLP CC[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000367394827 154103437 /nfs/dbraw/zinc/10/34/37/154103437.db2.gz RZUQRLVPUBDLDR-SJORKVTESA-N 2 2 334.464 1.936 20 0 EDADLP CC[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000367394827 154103441 /nfs/dbraw/zinc/10/34/41/154103441.db2.gz RZUQRLVPUBDLDR-SJORKVTESA-N 2 2 334.464 1.936 20 0 EDADLP COc1cccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000367454265 154129197 /nfs/dbraw/zinc/12/91/97/154129197.db2.gz NXERTJMTXYCUIU-CQSZACIVSA-N 2 2 347.459 1.641 20 0 EDADLP COc1cccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000367454265 154129200 /nfs/dbraw/zinc/12/92/00/154129200.db2.gz NXERTJMTXYCUIU-CQSZACIVSA-N 2 2 347.459 1.641 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2cccnc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367535502 154163868 /nfs/dbraw/zinc/16/38/68/154163868.db2.gz IPHYSYCSJPIQLO-INIZCTEOSA-N 2 2 345.491 1.434 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2cccnc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367535502 154163869 /nfs/dbraw/zinc/16/38/69/154163869.db2.gz IPHYSYCSJPIQLO-INIZCTEOSA-N 2 2 345.491 1.434 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367850211 154298945 /nfs/dbraw/zinc/29/89/45/154298945.db2.gz OWCLQOOYXATOTK-ZIFCJYIRSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367850211 154298947 /nfs/dbraw/zinc/29/89/47/154298947.db2.gz OWCLQOOYXATOTK-ZIFCJYIRSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367850211 154298951 /nfs/dbraw/zinc/29/89/51/154298951.db2.gz OWCLQOOYXATOTK-ZIFCJYIRSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367850211 154298952 /nfs/dbraw/zinc/29/89/52/154298952.db2.gz OWCLQOOYXATOTK-ZIFCJYIRSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@H](O)c1ncc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000368050107 154385337 /nfs/dbraw/zinc/38/53/37/154385337.db2.gz CLPVPPZFVAGBTQ-ZFWWWQNUSA-N 2 2 338.521 1.797 20 0 EDADLP C[C@H](O)c1ncc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000368050107 154385340 /nfs/dbraw/zinc/38/53/40/154385340.db2.gz CLPVPPZFVAGBTQ-ZFWWWQNUSA-N 2 2 338.521 1.797 20 0 EDADLP O=C(NC1CC1)[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000368943897 154794582 /nfs/dbraw/zinc/79/45/82/154794582.db2.gz IAZISMLKWLPOED-NVXWUHKLSA-N 2 2 328.391 1.947 20 0 EDADLP Cc1csc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369391569 155008868 /nfs/dbraw/zinc/00/88/68/155008868.db2.gz AQNSGPPJTBPVII-ZDUSSCGKSA-N 2 2 337.493 1.419 20 0 EDADLP Cc1csc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369391569 155008869 /nfs/dbraw/zinc/00/88/69/155008869.db2.gz AQNSGPPJTBPVII-ZDUSSCGKSA-N 2 2 337.493 1.419 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000417381399 304395917 /nfs/dbraw/zinc/39/59/17/304395917.db2.gz ILLHHRJEFLTEQM-UHFFFAOYSA-N 3 2 339.528 1.362 20 0 EDADLP O=C(NC[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000369571672 155091485 /nfs/dbraw/zinc/09/14/85/155091485.db2.gz UBLCZCPVRRPGJK-HOCLYGCPSA-N 2 2 332.448 1.205 20 0 EDADLP O=C(NC[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000369571672 155091488 /nfs/dbraw/zinc/09/14/88/155091488.db2.gz UBLCZCPVRRPGJK-HOCLYGCPSA-N 2 2 332.448 1.205 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000371824079 156125303 /nfs/dbraw/zinc/12/53/03/156125303.db2.gz UNCVSUOMKBFDRR-OAHLLOKOSA-N 2 2 337.414 1.603 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000371824079 156125305 /nfs/dbraw/zinc/12/53/05/156125305.db2.gz UNCVSUOMKBFDRR-OAHLLOKOSA-N 2 2 337.414 1.603 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371894966 156156698 /nfs/dbraw/zinc/15/66/98/156156698.db2.gz VUJOJLWSRUXVAO-INIZCTEOSA-N 3 2 345.491 1.388 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371894966 156156703 /nfs/dbraw/zinc/15/67/03/156156703.db2.gz VUJOJLWSRUXVAO-INIZCTEOSA-N 3 2 345.491 1.388 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371894966 156156704 /nfs/dbraw/zinc/15/67/04/156156704.db2.gz VUJOJLWSRUXVAO-INIZCTEOSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@@H](C)O1 ZINC000371905984 156160680 /nfs/dbraw/zinc/16/06/80/156160680.db2.gz MFKMGVVHZFHDAR-HUUCEWRRSA-N 2 2 349.479 1.798 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@@H](C)O1 ZINC000371905984 156160685 /nfs/dbraw/zinc/16/06/85/156160685.db2.gz MFKMGVVHZFHDAR-HUUCEWRRSA-N 2 2 349.479 1.798 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372432818 156387521 /nfs/dbraw/zinc/38/75/21/156387521.db2.gz XVXBTGSBESEFEN-UHFFFAOYSA-N 2 2 325.416 1.873 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000372496375 156421936 /nfs/dbraw/zinc/42/19/36/156421936.db2.gz LKNUQSYOSCUAAO-HKUYNNGSSA-N 2 2 345.487 1.956 20 0 EDADLP CCN(CCCO)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000374098406 157142599 /nfs/dbraw/zinc/14/25/99/157142599.db2.gz YMKNTXPMYRQUCK-UHFFFAOYSA-N 2 2 340.512 1.351 20 0 EDADLP O=S(=O)(NCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000374213039 157196536 /nfs/dbraw/zinc/19/65/36/157196536.db2.gz RZWXIJZQCZNUFV-UHFFFAOYSA-N 2 2 334.445 1.568 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374405876 157278645 /nfs/dbraw/zinc/27/86/45/157278645.db2.gz ZOPZTHMODPMRGT-INIZCTEOSA-N 2 2 325.416 1.872 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C(C)C ZINC000374420683 157285738 /nfs/dbraw/zinc/28/57/38/157285738.db2.gz MEIKUHIKSXMLSI-GVDBMIGSSA-N 2 2 325.497 1.815 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C(C)C ZINC000374420683 157285739 /nfs/dbraw/zinc/28/57/39/157285739.db2.gz MEIKUHIKSXMLSI-GVDBMIGSSA-N 2 2 325.497 1.815 20 0 EDADLP CC(C)Cn1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000374721651 157377845 /nfs/dbraw/zinc/37/78/45/157377845.db2.gz UOPXTFWJKHNTTD-HKUYNNGSSA-N 2 2 333.524 1.997 20 0 EDADLP CC(C)Cn1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000374721651 157377848 /nfs/dbraw/zinc/37/78/48/157377848.db2.gz UOPXTFWJKHNTTD-HKUYNNGSSA-N 2 2 333.524 1.997 20 0 EDADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)o1 ZINC000374744267 157386188 /nfs/dbraw/zinc/38/61/88/157386188.db2.gz QWAAPVOKHDURIL-DOTOQJQBSA-N 2 2 349.475 1.816 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000377829106 158003162 /nfs/dbraw/zinc/00/31/62/158003162.db2.gz PLIRETGFKRHXEQ-HNNXBMFYSA-N 2 2 334.464 1.789 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000378203419 158108035 /nfs/dbraw/zinc/10/80/35/158108035.db2.gz QURZIYYAGPLXNO-SJORKVTESA-N 2 2 338.540 1.816 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378361601 158152549 /nfs/dbraw/zinc/15/25/49/158152549.db2.gz SMKQPYSDLVCFIV-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378361601 158152551 /nfs/dbraw/zinc/15/25/51/158152551.db2.gz SMKQPYSDLVCFIV-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+]1CCOCC1 ZINC000343551658 286750583 /nfs/dbraw/zinc/75/05/83/286750583.db2.gz UHPCXMLWIJYDSK-ROUUACIJSA-N 2 2 337.508 1.822 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000364712306 162342246 /nfs/dbraw/zinc/34/22/46/162342246.db2.gz DFDXYBSUXQKSKJ-HNNXBMFYSA-N 2 2 344.463 1.645 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC000494701615 287195233 /nfs/dbraw/zinc/19/52/33/287195233.db2.gz ZPEZBLOLARWSOI-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC000494701615 287195235 /nfs/dbraw/zinc/19/52/35/287195235.db2.gz ZPEZBLOLARWSOI-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP [NH3+]CCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000066142869 287242782 /nfs/dbraw/zinc/24/27/82/287242782.db2.gz SRDKXWXPMPENMP-UHFFFAOYSA-N 2 2 346.258 1.865 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NC(=O)NC1CCCC1 ZINC000072719139 287255880 /nfs/dbraw/zinc/25/58/80/287255880.db2.gz UZXAZBKUUXNNKC-HNNXBMFYSA-N 2 2 336.480 1.563 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NC(=O)NC1CCCC1 ZINC000072719139 287255884 /nfs/dbraw/zinc/25/58/84/287255884.db2.gz UZXAZBKUUXNNKC-HNNXBMFYSA-N 2 2 336.480 1.563 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000073483975 287260656 /nfs/dbraw/zinc/26/06/56/287260656.db2.gz LAEHSIJMPBXWBO-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000073483975 287260657 /nfs/dbraw/zinc/26/06/57/287260657.db2.gz LAEHSIJMPBXWBO-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000073484032 287260738 /nfs/dbraw/zinc/26/07/38/287260738.db2.gz RTUTUXNMNXBSNR-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000073484032 287260739 /nfs/dbraw/zinc/26/07/39/287260739.db2.gz RTUTUXNMNXBSNR-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@@H](CNC(=O)NCCn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000079254495 287299045 /nfs/dbraw/zinc/29/90/45/287299045.db2.gz YDEFHISIRZFMII-HNNXBMFYSA-N 2 2 327.432 1.629 20 0 EDADLP C[C@@H](CNC(=O)NCCn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000079254495 287299046 /nfs/dbraw/zinc/29/90/46/287299046.db2.gz YDEFHISIRZFMII-HNNXBMFYSA-N 2 2 327.432 1.629 20 0 EDADLP C[NH2+]CCCNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000418285551 304474566 /nfs/dbraw/zinc/47/45/66/304474566.db2.gz PLAPCMHBPXBYPR-AWEZNQCLSA-N 2 2 340.493 1.372 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000081569816 287314263 /nfs/dbraw/zinc/31/42/63/287314263.db2.gz KUKIIEXBPCIRDR-GJZGRUSLSA-N 2 2 326.485 1.520 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000081569816 287314264 /nfs/dbraw/zinc/31/42/64/287314264.db2.gz KUKIIEXBPCIRDR-GJZGRUSLSA-N 2 2 326.485 1.520 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000081569816 287314265 /nfs/dbraw/zinc/31/42/65/287314265.db2.gz KUKIIEXBPCIRDR-GJZGRUSLSA-N 2 2 326.485 1.520 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000081569816 287314266 /nfs/dbraw/zinc/31/42/66/287314266.db2.gz KUKIIEXBPCIRDR-GJZGRUSLSA-N 2 2 326.485 1.520 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NCC[C@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000416989359 292577297 /nfs/dbraw/zinc/57/72/97/292577297.db2.gz DLTHRHLVSXDAOK-DOTOQJQBSA-N 2 2 334.464 1.405 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117802819 287347882 /nfs/dbraw/zinc/34/78/82/287347882.db2.gz SYWZYVGUQFQQJH-INIZCTEOSA-N 2 2 341.459 1.628 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000159335729 225197562 /nfs/dbraw/zinc/19/75/62/225197562.db2.gz CGRJTXUHQXRYOV-AZUAARDMSA-N 3 2 330.520 1.877 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159335729 225197566 /nfs/dbraw/zinc/19/75/66/225197566.db2.gz CGRJTXUHQXRYOV-AZUAARDMSA-N 3 2 330.520 1.877 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122415475 287380238 /nfs/dbraw/zinc/38/02/38/287380238.db2.gz ZJUUTBZJMIIFDL-RBSFLKMASA-N 2 2 326.485 1.268 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122415475 287380239 /nfs/dbraw/zinc/38/02/39/287380239.db2.gz ZJUUTBZJMIIFDL-RBSFLKMASA-N 2 2 326.485 1.268 20 0 EDADLP [NH3+]CCCNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418366149 304486506 /nfs/dbraw/zinc/48/65/06/304486506.db2.gz YDDYSCKOAWQHRA-AWEZNQCLSA-N 2 2 333.436 1.193 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000418401380 304491705 /nfs/dbraw/zinc/49/17/05/304491705.db2.gz IBDPHABPXWANIN-MRXNPFEDSA-N 2 2 334.464 1.506 20 0 EDADLP [NH3+]C[C@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000237823728 273013180 /nfs/dbraw/zinc/01/31/80/273013180.db2.gz RWUPMYCUIUEZAD-FUHWJXTLSA-N 2 2 349.500 1.053 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCC(F)(F)F ZINC000237837882 273013300 /nfs/dbraw/zinc/01/33/00/273013300.db2.gz BPEWTMHHEWBZRF-AWEZNQCLSA-N 2 2 340.349 1.870 20 0 EDADLP CC(C)[C@H](CNC(=O)NCC[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000124814456 267453485 /nfs/dbraw/zinc/45/34/85/267453485.db2.gz GAOWSODGUDRBOK-KRWDZBQOSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268804856 273022208 /nfs/dbraw/zinc/02/22/08/273022208.db2.gz KMNDCSPZWLFRCO-WSTZPKSXSA-N 4 2 345.535 1.912 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268804856 273022209 /nfs/dbraw/zinc/02/22/09/273022209.db2.gz KMNDCSPZWLFRCO-WSTZPKSXSA-N 4 2 345.535 1.912 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000273062631 273026733 /nfs/dbraw/zinc/02/67/33/273026733.db2.gz HZPFSVGKSAUKHO-CQSZACIVSA-N 2 2 340.851 1.964 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000273062631 273026734 /nfs/dbraw/zinc/02/67/34/273026734.db2.gz HZPFSVGKSAUKHO-CQSZACIVSA-N 2 2 340.851 1.964 20 0 EDADLP c1cn(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c[nH+]1 ZINC000275059494 268273064 /nfs/dbraw/zinc/27/30/64/268273064.db2.gz WMVAUTYPLCZMCP-UHFFFAOYSA-N 2 2 325.372 1.814 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@@H]3CCc4[nH+]ccn4C3)[nH+]c2c1 ZINC000275354816 268328691 /nfs/dbraw/zinc/32/86/91/268328691.db2.gz IPQKPGLNZZXKQG-AWEZNQCLSA-N 2 2 338.415 1.901 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275501953 268352216 /nfs/dbraw/zinc/35/22/16/268352216.db2.gz AFQZRIJUQBKALC-CVEARBPZSA-N 2 2 348.495 1.423 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275501953 268352217 /nfs/dbraw/zinc/35/22/17/268352217.db2.gz AFQZRIJUQBKALC-CVEARBPZSA-N 2 2 348.495 1.423 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC000276928740 273169693 /nfs/dbraw/zinc/16/96/93/273169693.db2.gz RVUABRXRYXRRGL-DOTOQJQBSA-N 2 2 341.459 1.809 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC000276928740 273169694 /nfs/dbraw/zinc/16/96/94/273169694.db2.gz RVUABRXRYXRRGL-DOTOQJQBSA-N 2 2 341.459 1.809 20 0 EDADLP CO[C@@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000279223313 273285539 /nfs/dbraw/zinc/28/55/39/273285539.db2.gz DASRDYWKUSSQPM-FQEVSTJZSA-N 2 2 345.487 1.832 20 0 EDADLP C[N@H+](CCCCCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279673389 273316841 /nfs/dbraw/zinc/31/68/41/273316841.db2.gz FQAKHXMTFQZUCF-UHFFFAOYSA-N 2 2 334.464 1.215 20 0 EDADLP C[N@@H+](CCCCCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000279673389 273316842 /nfs/dbraw/zinc/31/68/42/273316842.db2.gz FQAKHXMTFQZUCF-UHFFFAOYSA-N 2 2 334.464 1.215 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279687782 273318460 /nfs/dbraw/zinc/31/84/60/273318460.db2.gz HWMDIUWODFKRMP-MRXNPFEDSA-N 2 2 330.432 1.161 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279687782 273318461 /nfs/dbraw/zinc/31/84/61/273318461.db2.gz HWMDIUWODFKRMP-MRXNPFEDSA-N 2 2 330.432 1.161 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c[nH]1 ZINC000279805695 273328477 /nfs/dbraw/zinc/32/84/77/273328477.db2.gz DVUBDBPGFOVLOX-KBPBESRZSA-N 2 2 349.410 1.237 20 0 EDADLP Cc1c(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cnn1C ZINC000279806064 273328646 /nfs/dbraw/zinc/32/86/46/273328646.db2.gz WYUAROSEIDEERF-HOTGVXAUSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1c(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cnn1C ZINC000279806064 273328647 /nfs/dbraw/zinc/32/86/47/273328647.db2.gz WYUAROSEIDEERF-HOTGVXAUSA-N 2 2 334.443 1.506 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccn4cc[nH+]c4c3)C2)CC1 ZINC000284074463 274071140 /nfs/dbraw/zinc/07/11/40/274071140.db2.gz RAYDSVGWYJWERU-MRXNPFEDSA-N 2 2 342.447 1.578 20 0 EDADLP NC(=O)C[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284301838 274152997 /nfs/dbraw/zinc/15/29/97/274152997.db2.gz ZDRNDYOYVZSEEM-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP NC(=O)C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284301838 274152998 /nfs/dbraw/zinc/15/29/98/274152998.db2.gz ZDRNDYOYVZSEEM-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP NC(=O)C[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284301838 274153000 /nfs/dbraw/zinc/15/30/00/274153000.db2.gz ZDRNDYOYVZSEEM-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP NC(=O)C[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284301838 274153002 /nfs/dbraw/zinc/15/30/02/274153002.db2.gz ZDRNDYOYVZSEEM-RBUKOAKNSA-N 2 2 345.487 1.865 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1)c1ccccc1 ZINC000284430776 274199431 /nfs/dbraw/zinc/19/94/31/274199431.db2.gz JGHQTIJFQDSUAL-KURKYZTESA-N 2 2 331.460 1.611 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1)c1ccccc1 ZINC000284430776 274199432 /nfs/dbraw/zinc/19/94/32/274199432.db2.gz JGHQTIJFQDSUAL-KURKYZTESA-N 2 2 331.460 1.611 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000284430776 274199433 /nfs/dbraw/zinc/19/94/33/274199433.db2.gz JGHQTIJFQDSUAL-KURKYZTESA-N 2 2 331.460 1.611 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000284430776 274199434 /nfs/dbraw/zinc/19/94/34/274199434.db2.gz JGHQTIJFQDSUAL-KURKYZTESA-N 2 2 331.460 1.611 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000284527141 274234293 /nfs/dbraw/zinc/23/42/93/274234293.db2.gz OVEUIUWIDRUOON-WMZOPIPTSA-N 2 2 347.459 1.172 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000284527141 274234294 /nfs/dbraw/zinc/23/42/94/274234294.db2.gz OVEUIUWIDRUOON-WMZOPIPTSA-N 2 2 347.459 1.172 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C[C@H](C)[NH2+]1 ZINC000247447622 287763629 /nfs/dbraw/zinc/76/36/29/287763629.db2.gz YNMNFOZYIWIXAN-UXLLHSPISA-N 2 2 333.501 1.985 20 0 EDADLP CN([C@H](C(N)=O)c1ccc(F)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371258705 277002023 /nfs/dbraw/zinc/00/20/23/277002023.db2.gz PLCFTFYXYDBBJB-ROUUACIJSA-N 2 2 348.466 1.452 20 0 EDADLP CN([C@H](C(N)=O)c1ccc(F)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371258705 277002024 /nfs/dbraw/zinc/00/20/24/277002024.db2.gz PLCFTFYXYDBBJB-ROUUACIJSA-N 2 2 348.466 1.452 20 0 EDADLP C[N@H+]([C@H](C(N)=O)c1ccc(F)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258705 277002025 /nfs/dbraw/zinc/00/20/25/277002025.db2.gz PLCFTFYXYDBBJB-ROUUACIJSA-N 2 2 348.466 1.452 20 0 EDADLP C[N@@H+]([C@H](C(N)=O)c1ccc(F)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258705 277002028 /nfs/dbraw/zinc/00/20/28/277002028.db2.gz PLCFTFYXYDBBJB-ROUUACIJSA-N 2 2 348.466 1.452 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000373647548 277235590 /nfs/dbraw/zinc/23/55/90/277235590.db2.gz MODCUJKUMWAMEU-UHFFFAOYSA-N 2 2 329.404 1.437 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199730 278163324 /nfs/dbraw/zinc/16/33/24/278163324.db2.gz VWZMNLXJTDPNSG-NVXWUHKLSA-N 3 2 336.524 1.297 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199730 278163325 /nfs/dbraw/zinc/16/33/25/278163325.db2.gz VWZMNLXJTDPNSG-NVXWUHKLSA-N 3 2 336.524 1.297 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150766562 278214640 /nfs/dbraw/zinc/21/46/40/278214640.db2.gz ZAWDSHOGALLOMN-LSDHHAIUSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150766562 278214643 /nfs/dbraw/zinc/21/46/43/278214643.db2.gz ZAWDSHOGALLOMN-LSDHHAIUSA-N 2 2 344.459 1.530 20 0 EDADLP CC[N@@H+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)[C@@H](C)C1 ZINC000286520316 288025784 /nfs/dbraw/zinc/02/57/84/288025784.db2.gz ZOCDARQBARSRLG-NSHDSACASA-N 2 2 331.420 1.760 20 0 EDADLP CC[N@H+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)[C@@H](C)C1 ZINC000286520316 288025786 /nfs/dbraw/zinc/02/57/86/288025786.db2.gz ZOCDARQBARSRLG-NSHDSACASA-N 2 2 331.420 1.760 20 0 EDADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350888 278252980 /nfs/dbraw/zinc/25/29/80/278252980.db2.gz VCSFJKMQMDRFEX-HOCLYGCPSA-N 2 2 344.459 1.196 20 0 EDADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350888 278252981 /nfs/dbraw/zinc/25/29/81/278252981.db2.gz VCSFJKMQMDRFEX-HOCLYGCPSA-N 2 2 344.459 1.196 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC12CCC2 ZINC000357021398 278366910 /nfs/dbraw/zinc/36/69/10/278366910.db2.gz HJCWEZPOYLNDLI-INIZCTEOSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC12CCC2 ZINC000357021398 278366912 /nfs/dbraw/zinc/36/69/12/278366912.db2.gz HJCWEZPOYLNDLI-INIZCTEOSA-N 2 2 337.508 1.726 20 0 EDADLP CCCN1C(=O)CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@H]1c1c[nH+]cn1C ZINC000354425515 278801056 /nfs/dbraw/zinc/80/10/56/278801056.db2.gz NWXFVRUFADOKMN-KEYYUXOJSA-N 2 2 349.479 1.176 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000332336475 278971417 /nfs/dbraw/zinc/97/14/17/278971417.db2.gz NUXPATJXMULQDU-HYVNUMGLSA-N 2 2 338.496 1.399 20 0 EDADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC[N@@H+]1C ZINC000353680379 279093743 /nfs/dbraw/zinc/09/37/43/279093743.db2.gz UEOXKDJYGNQHSF-DQYPLSBCSA-N 2 2 337.489 1.784 20 0 EDADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC[N@H+]1C ZINC000353680379 279093745 /nfs/dbraw/zinc/09/37/45/279093745.db2.gz UEOXKDJYGNQHSF-DQYPLSBCSA-N 2 2 337.489 1.784 20 0 EDADLP C[C@H](C(=O)NC[C@H]1C[NH+](C2CC2)CCO1)[N@H+](C)Cc1ccccc1 ZINC000343335166 279226398 /nfs/dbraw/zinc/22/63/98/279226398.db2.gz CFRPIPJBCVWEJE-QAPCUYQASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](C(=O)NC[C@H]1C[NH+](C2CC2)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000343335166 279226399 /nfs/dbraw/zinc/22/63/99/279226399.db2.gz CFRPIPJBCVWEJE-QAPCUYQASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343335166 279226400 /nfs/dbraw/zinc/22/64/00/279226400.db2.gz CFRPIPJBCVWEJE-QAPCUYQASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343335166 279226401 /nfs/dbraw/zinc/22/64/01/279226401.db2.gz CFRPIPJBCVWEJE-QAPCUYQASA-N 2 2 331.460 1.486 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000358140917 279365948 /nfs/dbraw/zinc/36/59/48/279365948.db2.gz PHQYZBDFMSDVQJ-PMPSAXMXSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000358140917 279365951 /nfs/dbraw/zinc/36/59/51/279365951.db2.gz PHQYZBDFMSDVQJ-PMPSAXMXSA-N 2 2 326.485 1.220 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000353318297 279370548 /nfs/dbraw/zinc/37/05/48/279370548.db2.gz ZBYDHFFWZSRBQN-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000353318297 279370551 /nfs/dbraw/zinc/37/05/51/279370551.db2.gz ZBYDHFFWZSRBQN-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000164191111 279794557 /nfs/dbraw/zinc/79/45/57/279794557.db2.gz IMWXGKFLSQHZEZ-QGZVFWFLSA-N 2 2 344.459 1.348 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339233143 280077633 /nfs/dbraw/zinc/07/76/33/280077633.db2.gz CCALPUHPDJAQTF-PMPSAXMXSA-N 2 2 337.464 1.888 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339233143 280077634 /nfs/dbraw/zinc/07/76/34/280077634.db2.gz CCALPUHPDJAQTF-PMPSAXMXSA-N 2 2 337.464 1.888 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418726543 280163709 /nfs/dbraw/zinc/16/37/09/280163709.db2.gz LVVKWGWTFYPENC-IKGGRYGDSA-N 2 2 334.464 1.437 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418726543 280163713 /nfs/dbraw/zinc/16/37/13/280163713.db2.gz LVVKWGWTFYPENC-IKGGRYGDSA-N 2 2 334.464 1.437 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCC1 ZINC000287754642 288315233 /nfs/dbraw/zinc/31/52/33/288315233.db2.gz LRSKWGHTIWNLQD-ZDUSSCGKSA-N 2 2 333.436 1.064 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000289758120 288774095 /nfs/dbraw/zinc/77/40/95/288774095.db2.gz HUONLBBVRSVOKN-DOMZBBRYSA-N 2 2 330.388 1.330 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000290002620 288819380 /nfs/dbraw/zinc/81/93/80/288819380.db2.gz DHAFGJKZRFJOKJ-FGTMMUONSA-N 2 2 331.460 1.252 20 0 EDADLP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000291235050 289023356 /nfs/dbraw/zinc/02/33/56/289023356.db2.gz QEBMLGAYYDGCGW-QAPCUYQASA-N 2 2 330.476 1.761 20 0 EDADLP CC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000291235050 289023358 /nfs/dbraw/zinc/02/33/58/289023358.db2.gz QEBMLGAYYDGCGW-QAPCUYQASA-N 2 2 330.476 1.761 20 0 EDADLP CC[NH+]1CC[C@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000291235050 289023359 /nfs/dbraw/zinc/02/33/59/289023359.db2.gz QEBMLGAYYDGCGW-QAPCUYQASA-N 2 2 330.476 1.761 20 0 EDADLP CC[NH+]1CC[C@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)[C@H](C)C1 ZINC000291235050 289023361 /nfs/dbraw/zinc/02/33/61/289023361.db2.gz QEBMLGAYYDGCGW-QAPCUYQASA-N 2 2 330.476 1.761 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)c1ccc(F)cc1 ZINC000291335161 289040190 /nfs/dbraw/zinc/04/01/90/289040190.db2.gz RNCLMNNTFBVABF-INIZCTEOSA-N 2 2 331.395 1.850 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000292174119 289281014 /nfs/dbraw/zinc/28/10/14/289281014.db2.gz WGZMJRVCYZJZFK-RBUKOAKNSA-N 2 2 345.487 1.578 20 0 EDADLP C[C@H](NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333365677 289822548 /nfs/dbraw/zinc/82/25/48/289822548.db2.gz LTVYWKGUNZNSAZ-YQQAZPJKSA-N 2 2 338.496 1.269 20 0 EDADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000246179307 290194871 /nfs/dbraw/zinc/19/48/71/290194871.db2.gz QAIVZNDZAFVZBO-WBVHZDCISA-N 2 2 333.501 1.844 20 0 EDADLP C[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000246179307 290194873 /nfs/dbraw/zinc/19/48/73/290194873.db2.gz QAIVZNDZAFVZBO-WBVHZDCISA-N 2 2 333.501 1.844 20 0 EDADLP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000496745028 295011286 /nfs/dbraw/zinc/01/12/86/295011286.db2.gz ZXITYARCSMRKOE-YESZJQIVSA-N 2 2 333.432 1.464 20 0 EDADLP [NH3+]C[C@H](NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CCCC1 ZINC000420073692 295262124 /nfs/dbraw/zinc/26/21/24/295262124.db2.gz PFJCLAZTPWVGQC-KBPBESRZSA-N 2 2 333.436 1.097 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000351810225 298268558 /nfs/dbraw/zinc/26/85/58/298268558.db2.gz KTAGKBHIJIZHPF-OAHLLOKOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000351810225 298268564 /nfs/dbraw/zinc/26/85/64/298268564.db2.gz KTAGKBHIJIZHPF-OAHLLOKOSA-N 2 2 340.512 1.469 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420373949 304753122 /nfs/dbraw/zinc/75/31/22/304753122.db2.gz ZQGZDNDAROVBBI-LLVKDONJSA-N 2 2 327.450 1.826 20 0 EDADLP CCC(CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000422044720 447324986 /nfs/dbraw/zinc/32/49/86/447324986.db2.gz XXPCLFXGEQLXSL-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000422044720 447324991 /nfs/dbraw/zinc/32/49/91/447324991.db2.gz XXPCLFXGEQLXSL-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/[C@@H]3CCOC3)CC2)CC1 ZINC000493421826 447325978 /nfs/dbraw/zinc/32/59/78/447325978.db2.gz MBYZFPDITWYPLV-LAQIPUCWSA-N 2 2 335.492 1.598 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/[C@@H]3CCOC3)CC2)CC1 ZINC000493421826 447325986 /nfs/dbraw/zinc/32/59/86/447325986.db2.gz MBYZFPDITWYPLV-LAQIPUCWSA-N 2 2 335.492 1.598 20 0 EDADLP CCOc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000493419236 447326502 /nfs/dbraw/zinc/32/65/02/447326502.db2.gz IVWVRGCCBNWIIJ-DDJMYBDESA-N 2 2 333.432 1.208 20 0 EDADLP CCOc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000493419236 447326504 /nfs/dbraw/zinc/32/65/04/447326504.db2.gz IVWVRGCCBNWIIJ-DDJMYBDESA-N 2 2 333.432 1.208 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344824294 303028729 /nfs/dbraw/zinc/02/87/29/303028729.db2.gz JBPPMCFIMOSWRH-RHSMWYFYSA-N 3 2 333.480 1.592 20 0 EDADLP C[C@@]1(F)CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000295042823 303166645 /nfs/dbraw/zinc/16/66/45/303166645.db2.gz ACEVKXIPYAIEMN-GOSISDBHSA-N 2 2 334.439 1.944 20 0 EDADLP C[C@@]1(F)CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000295042823 303166647 /nfs/dbraw/zinc/16/66/47/303166647.db2.gz ACEVKXIPYAIEMN-GOSISDBHSA-N 2 2 334.439 1.944 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000296485719 303320272 /nfs/dbraw/zinc/32/02/72/303320272.db2.gz QGALFTJFADAMAB-OAHLLOKOSA-N 2 2 346.475 1.594 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)CN1CC[NH+](C)CC1 ZINC000297300322 303382714 /nfs/dbraw/zinc/38/27/14/303382714.db2.gz QJXYVTQGFSZFNE-HNNXBMFYSA-N 2 2 344.463 1.017 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000297298718 303382801 /nfs/dbraw/zinc/38/28/01/303382801.db2.gz BCRQVYIJRPYADN-UHFFFAOYSA-N 2 2 334.370 1.699 20 0 EDADLP O=C(NCc1ccc2c[nH+]cn2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000297608134 303419598 /nfs/dbraw/zinc/41/95/98/303419598.db2.gz GHYVHPWSCNJQDY-UHFFFAOYSA-N 2 2 336.399 1.761 20 0 EDADLP COc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)cc(Cl)c1OCC(N)=O ZINC000414856082 447330069 /nfs/dbraw/zinc/33/00/69/447330069.db2.gz YEXKMSFORWDLQH-LBPRGKRZSA-N 2 2 343.855 1.676 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCCCNc2cccc[nH+]2)cc(C)[nH+]1 ZINC000422068697 304829481 /nfs/dbraw/zinc/82/94/81/304829481.db2.gz DGWMXABYTVKHNK-UHFFFAOYSA-N 2 2 341.415 1.328 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCN1C ZINC000423879793 304912892 /nfs/dbraw/zinc/91/28/92/304912892.db2.gz VIFDIGBHLJIZIP-HDMKZQKVSA-N 2 2 331.464 1.015 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428032029 305004576 /nfs/dbraw/zinc/00/45/76/305004576.db2.gz MPHIMTXUQLJXMQ-BMFZPTHFSA-N 2 2 330.432 1.085 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428032029 305004577 /nfs/dbraw/zinc/00/45/77/305004577.db2.gz MPHIMTXUQLJXMQ-BMFZPTHFSA-N 2 2 330.432 1.085 20 0 EDADLP [NH3+]C[C@@H]1CCCCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000428034536 305004736 /nfs/dbraw/zinc/00/47/36/305004736.db2.gz SKHIFFYMQPDQET-AWEZNQCLSA-N 2 2 337.493 1.491 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000428035346 305004767 /nfs/dbraw/zinc/00/47/67/305004767.db2.gz FIDRCZPLIIFUQD-CJNGLKHVSA-N 2 2 337.851 1.519 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000428035346 305004768 /nfs/dbraw/zinc/00/47/68/305004768.db2.gz FIDRCZPLIIFUQD-CJNGLKHVSA-N 2 2 337.851 1.519 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000428036314 305004804 /nfs/dbraw/zinc/00/48/04/305004804.db2.gz GZGDTHUJXKZOPC-BETUJISGSA-N 2 2 337.493 1.360 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428037150 305004815 /nfs/dbraw/zinc/00/48/15/305004815.db2.gz SQJNVKGPVOSJLY-QGPMSJSTSA-N 2 2 340.471 1.899 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428037150 305004816 /nfs/dbraw/zinc/00/48/16/305004816.db2.gz SQJNVKGPVOSJLY-QGPMSJSTSA-N 2 2 340.471 1.899 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000430580654 305056899 /nfs/dbraw/zinc/05/68/99/305056899.db2.gz FGNODLPJYPNFFS-HUUCEWRRSA-N 2 2 335.448 1.248 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000430580654 305056900 /nfs/dbraw/zinc/05/69/00/305056900.db2.gz FGNODLPJYPNFFS-HUUCEWRRSA-N 2 2 335.448 1.248 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000430603988 305058195 /nfs/dbraw/zinc/05/81/95/305058195.db2.gz ZSLDZJRUNXWUKH-AWEZNQCLSA-N 2 2 329.347 1.910 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000430607574 305058556 /nfs/dbraw/zinc/05/85/56/305058556.db2.gz CMQDAKNEJQABBE-INIZCTEOSA-N 2 2 330.476 1.097 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000430607574 305058557 /nfs/dbraw/zinc/05/85/57/305058557.db2.gz CMQDAKNEJQABBE-INIZCTEOSA-N 2 2 330.476 1.097 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430614526 305059090 /nfs/dbraw/zinc/05/90/90/305059090.db2.gz ZADMRQRTILZVCG-HNNXBMFYSA-N 2 2 340.471 1.984 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430614526 305059091 /nfs/dbraw/zinc/05/90/91/305059091.db2.gz ZADMRQRTILZVCG-HNNXBMFYSA-N 2 2 340.471 1.984 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430650213 305061235 /nfs/dbraw/zinc/06/12/35/305061235.db2.gz UMVPFGGOVRJAQY-ROUUACIJSA-N 2 2 344.503 1.655 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430650213 305061236 /nfs/dbraw/zinc/06/12/36/305061236.db2.gz UMVPFGGOVRJAQY-ROUUACIJSA-N 2 2 344.503 1.655 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430647487 305061280 /nfs/dbraw/zinc/06/12/80/305061280.db2.gz QCUDLDRYVQMVQK-OAHLLOKOSA-N 2 2 346.475 1.501 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430647487 305061281 /nfs/dbraw/zinc/06/12/81/305061281.db2.gz QCUDLDRYVQMVQK-OAHLLOKOSA-N 2 2 346.475 1.501 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000430835617 305065640 /nfs/dbraw/zinc/06/56/40/305065640.db2.gz GVTRRUIAXQVDNL-MSOLQXFVSA-N 2 2 331.460 1.627 20 0 EDADLP COc1cc(C)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430937084 305069253 /nfs/dbraw/zinc/06/92/53/305069253.db2.gz ZAPUAHWEVYDNFQ-DZKIICNBSA-N 2 2 349.475 1.859 20 0 EDADLP COc1cc(C)c([C@H](C)NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430937084 305069254 /nfs/dbraw/zinc/06/92/54/305069254.db2.gz ZAPUAHWEVYDNFQ-DZKIICNBSA-N 2 2 349.475 1.859 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430941185 305069662 /nfs/dbraw/zinc/06/96/62/305069662.db2.gz UUDGQMTUHKJLBI-RISCZKNCSA-N 2 2 345.365 1.871 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430941185 305069663 /nfs/dbraw/zinc/06/96/63/305069663.db2.gz UUDGQMTUHKJLBI-RISCZKNCSA-N 2 2 345.365 1.871 20 0 EDADLP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000430952460 305070582 /nfs/dbraw/zinc/07/05/82/305070582.db2.gz ZBMGVDIJWUTSMQ-MRXNPFEDSA-N 3 2 345.491 1.180 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000432990623 305098733 /nfs/dbraw/zinc/09/87/33/305098733.db2.gz GMCBSJKHODIQQX-HOCLYGCPSA-N 2 2 337.468 1.671 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000432990623 305098734 /nfs/dbraw/zinc/09/87/34/305098734.db2.gz GMCBSJKHODIQQX-HOCLYGCPSA-N 2 2 337.468 1.671 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000432995720 305098888 /nfs/dbraw/zinc/09/88/88/305098888.db2.gz YJADAFCRWBBIEN-UHFFFAOYSA-N 2 2 336.461 1.751 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000432995720 305098889 /nfs/dbraw/zinc/09/88/89/305098889.db2.gz YJADAFCRWBBIEN-UHFFFAOYSA-N 2 2 336.461 1.751 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1CC1 ZINC000433235057 305103359 /nfs/dbraw/zinc/10/33/59/305103359.db2.gz UDOKLPGFXPLQJB-CJNGLKHVSA-N 2 2 335.452 1.424 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1CC1 ZINC000433235057 305103360 /nfs/dbraw/zinc/10/33/60/305103360.db2.gz UDOKLPGFXPLQJB-CJNGLKHVSA-N 2 2 335.452 1.424 20 0 EDADLP CC1=CC[NH+](CCNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000434384837 305121382 /nfs/dbraw/zinc/12/13/82/305121382.db2.gz FINXQTQKYSEJRM-CALCHBBNSA-N 2 2 338.496 1.389 20 0 EDADLP CC1=CC[NH+](CCNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000434384837 305121383 /nfs/dbraw/zinc/12/13/83/305121383.db2.gz FINXQTQKYSEJRM-CALCHBBNSA-N 2 2 338.496 1.389 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000434384837 305121384 /nfs/dbraw/zinc/12/13/84/305121384.db2.gz FINXQTQKYSEJRM-CALCHBBNSA-N 2 2 338.496 1.389 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000434384837 305121385 /nfs/dbraw/zinc/12/13/85/305121385.db2.gz FINXQTQKYSEJRM-CALCHBBNSA-N 2 2 338.496 1.389 20 0 EDADLP C[C@@H](CNC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)[NH+](C)C1CC1 ZINC000434990805 305134063 /nfs/dbraw/zinc/13/40/63/305134063.db2.gz KPDVDYQQIMLCAK-YOEHRIQHSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C1CC1 ZINC000434990805 305134064 /nfs/dbraw/zinc/13/40/64/305134064.db2.gz KPDVDYQQIMLCAK-YOEHRIQHSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1)[N@H+](C)C1CC1 ZINC000434990805 305134065 /nfs/dbraw/zinc/13/40/65/305134065.db2.gz KPDVDYQQIMLCAK-YOEHRIQHSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1)[N@@H+](C)C1CC1 ZINC000434990805 305134066 /nfs/dbraw/zinc/13/40/66/305134066.db2.gz KPDVDYQQIMLCAK-YOEHRIQHSA-N 2 2 338.496 1.221 20 0 EDADLP CCn1nccc1CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435434182 305140500 /nfs/dbraw/zinc/14/05/00/305140500.db2.gz RGMQVEHHIVKCHS-MRXNPFEDSA-N 2 2 328.464 1.781 20 0 EDADLP C[N@H+](CC(=O)NCCCOc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000435610181 305143279 /nfs/dbraw/zinc/14/32/79/305143279.db2.gz HDFSVUWUPUOXSM-HNNXBMFYSA-N 2 2 337.439 1.785 20 0 EDADLP C[N@@H+](CC(=O)NCCCOc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000435610181 305143280 /nfs/dbraw/zinc/14/32/80/305143280.db2.gz HDFSVUWUPUOXSM-HNNXBMFYSA-N 2 2 337.439 1.785 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435628936 305143883 /nfs/dbraw/zinc/14/38/83/305143883.db2.gz WKGJTWOWRSQXTN-MRXNPFEDSA-N 2 2 349.475 1.736 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435628936 305143884 /nfs/dbraw/zinc/14/38/84/305143884.db2.gz WKGJTWOWRSQXTN-MRXNPFEDSA-N 2 2 349.475 1.736 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000436064238 305152021 /nfs/dbraw/zinc/15/20/21/305152021.db2.gz MALOOUOIMCAQGQ-OAHLLOKOSA-N 2 2 343.431 1.556 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2)no1 ZINC000436064238 305152022 /nfs/dbraw/zinc/15/20/22/305152022.db2.gz MALOOUOIMCAQGQ-OAHLLOKOSA-N 2 2 343.431 1.556 20 0 EDADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000436243091 305154892 /nfs/dbraw/zinc/15/48/92/305154892.db2.gz XDHFAFWROBVFSG-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000436243091 305154893 /nfs/dbraw/zinc/15/48/93/305154893.db2.gz XDHFAFWROBVFSG-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP CCc1ccnc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000438213835 305183220 /nfs/dbraw/zinc/18/32/20/305183220.db2.gz LFLHZRDMFDGGNI-UHFFFAOYSA-N 2 2 347.507 1.811 20 0 EDADLP CCc1ccnc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000438213835 305183221 /nfs/dbraw/zinc/18/32/21/305183221.db2.gz LFLHZRDMFDGGNI-UHFFFAOYSA-N 2 2 347.507 1.811 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440137244 305203393 /nfs/dbraw/zinc/20/33/93/305203393.db2.gz SYGYLCRMRAHBGA-IAGOWNOFSA-N 3 2 347.507 1.320 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440137244 305203394 /nfs/dbraw/zinc/20/33/94/305203394.db2.gz SYGYLCRMRAHBGA-IAGOWNOFSA-N 3 2 347.507 1.320 20 0 EDADLP CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(CC[NH+]2CCCCC2)C1 ZINC000440505182 305208478 /nfs/dbraw/zinc/20/84/78/305208478.db2.gz NJVIRRADLWRXAY-SFHVURJKSA-N 2 2 325.497 1.868 20 0 EDADLP CCCCN(CC)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441254726 305219627 /nfs/dbraw/zinc/21/96/27/305219627.db2.gz ZRIOAHOGSJHNIC-YESZJQIVSA-N 2 2 325.497 1.819 20 0 EDADLP CCCCN(CC)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441254726 305219628 /nfs/dbraw/zinc/21/96/28/305219628.db2.gz ZRIOAHOGSJHNIC-YESZJQIVSA-N 2 2 325.497 1.819 20 0 EDADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC000449175813 305308857 /nfs/dbraw/zinc/30/88/57/305308857.db2.gz KYBYCXJPRQCAHC-ZBFHGGJFSA-N 2 2 337.468 1.441 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)[C@H]2C)CC1 ZINC000451466797 305348281 /nfs/dbraw/zinc/34/82/81/305348281.db2.gz XMYCUSGPPXVLFL-ZHALLVOQSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)[C@H]2C)CC1 ZINC000451466797 305348282 /nfs/dbraw/zinc/34/82/82/305348282.db2.gz XMYCUSGPPXVLFL-ZHALLVOQSA-N 2 2 345.487 1.737 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@@H]21 ZINC000451638113 305358228 /nfs/dbraw/zinc/35/82/28/305358228.db2.gz YZEWDBGGEZJGKO-WBVHZDCISA-N 2 2 348.516 1.028 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(CC(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@@H]21 ZINC000451638113 305358229 /nfs/dbraw/zinc/35/82/29/305358229.db2.gz YZEWDBGGEZJGKO-WBVHZDCISA-N 2 2 348.516 1.028 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000377779416 447352127 /nfs/dbraw/zinc/35/21/27/447352127.db2.gz YEMXWXUXPRRHMV-WBVHZDCISA-N 2 2 329.448 1.586 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000377779416 447352132 /nfs/dbraw/zinc/35/21/32/447352132.db2.gz YEMXWXUXPRRHMV-WBVHZDCISA-N 2 2 329.448 1.586 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000478924792 305543613 /nfs/dbraw/zinc/54/36/13/305543613.db2.gz HHCPSUDUHICTDV-YTQUADARSA-N 2 2 345.487 1.873 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC000515406093 305721098 /nfs/dbraw/zinc/72/10/98/305721098.db2.gz YGXQQRVQXUCRDT-SFHVURJKSA-N 2 2 331.464 1.823 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)CC(F)(F)F ZINC000519141539 305767140 /nfs/dbraw/zinc/76/71/40/305767140.db2.gz LGVRQQGTWZIBDL-HNNXBMFYSA-N 2 2 332.366 1.922 20 0 EDADLP COCCOC[C@H](O)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000519143251 305767264 /nfs/dbraw/zinc/76/72/64/305767264.db2.gz PRDUDQXJRNAZIC-CYBMUJFWSA-N 2 2 339.823 1.639 20 0 EDADLP c1cc2ccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)cc2[nH]1 ZINC000527660262 305855161 /nfs/dbraw/zinc/85/51/61/305855161.db2.gz FPACIVKFDSLCTL-GOSISDBHSA-N 2 2 328.460 1.664 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](CO)C2CCCCC2)CC1 ZINC000535430510 306013665 /nfs/dbraw/zinc/01/36/65/306013665.db2.gz KEIKFVGTCOTGRG-QGZVFWFLSA-N 2 2 340.512 1.253 20 0 EDADLP CC[NH+]1CCC(NC(=O)CN2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000536337142 306020326 /nfs/dbraw/zinc/02/03/26/306020326.db2.gz FVSBPZCXJVLVFR-UHFFFAOYSA-N 2 2 345.491 1.113 20 0 EDADLP Cc1nc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000538045936 306030032 /nfs/dbraw/zinc/03/00/32/306030032.db2.gz RFBOEHORBJONOK-OKILXGFUSA-N 2 2 338.452 1.468 20 0 EDADLP Cc1nc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000538045936 306030033 /nfs/dbraw/zinc/03/00/33/306030033.db2.gz RFBOEHORBJONOK-OKILXGFUSA-N 2 2 338.452 1.468 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@H+]3CC[C@@H](C)C3)ccc2[nH+]1 ZINC000539168232 306034768 /nfs/dbraw/zinc/03/47/68/306034768.db2.gz RCLUWFAPFLOFJX-GFCCVEGCSA-N 2 2 329.404 1.039 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@@H+]3CC[C@@H](C)C3)ccc2[nH+]1 ZINC000539168232 306034769 /nfs/dbraw/zinc/03/47/69/306034769.db2.gz RCLUWFAPFLOFJX-GFCCVEGCSA-N 2 2 329.404 1.039 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000542312567 306052947 /nfs/dbraw/zinc/05/29/47/306052947.db2.gz YLPCLOYTRDBINT-WBVHZDCISA-N 2 2 343.475 1.704 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000542312567 306052948 /nfs/dbraw/zinc/05/29/48/306052948.db2.gz YLPCLOYTRDBINT-WBVHZDCISA-N 2 2 343.475 1.704 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3COc4ccc(F)cc43)cn2)CC1 ZINC000545220871 306082652 /nfs/dbraw/zinc/08/26/52/306082652.db2.gz XGGZTRADYCCTBJ-MRXNPFEDSA-N 2 2 343.406 1.591 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000548333118 306124735 /nfs/dbraw/zinc/12/47/35/306124735.db2.gz AWJVPNVDOVGYBF-JKSUJKDBSA-N 2 2 347.463 1.094 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000548388741 306126159 /nfs/dbraw/zinc/12/61/59/306126159.db2.gz LQWJVYVNHWMTGD-UHFFFAOYSA-N 2 2 333.480 1.709 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000548388741 306126160 /nfs/dbraw/zinc/12/61/60/306126160.db2.gz LQWJVYVNHWMTGD-UHFFFAOYSA-N 2 2 333.480 1.709 20 0 EDADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000551006368 306155306 /nfs/dbraw/zinc/15/53/06/306155306.db2.gz RWBYDXOMPBJTHO-PBHICJAKSA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000551006368 306155307 /nfs/dbraw/zinc/15/53/07/306155307.db2.gz RWBYDXOMPBJTHO-PBHICJAKSA-N 2 2 337.489 1.785 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000552098050 306175099 /nfs/dbraw/zinc/17/50/99/306175099.db2.gz RMCGGOUICNRVJP-GOSISDBHSA-N 2 2 347.459 1.568 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000552098050 306175100 /nfs/dbraw/zinc/17/51/00/306175100.db2.gz RMCGGOUICNRVJP-GOSISDBHSA-N 2 2 347.459 1.568 20 0 EDADLP Cn1cc(N2CC[C@H]([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2=O)cn1 ZINC000556948067 306221724 /nfs/dbraw/zinc/22/17/24/306221724.db2.gz SVEMCMRMBXWGAY-SZMVWBNQSA-N 2 2 339.443 1.608 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000456345224 447368358 /nfs/dbraw/zinc/36/83/58/447368358.db2.gz HXBVYGALXSYQAT-KRWDZBQOSA-N 2 2 347.507 1.575 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000456345224 447368361 /nfs/dbraw/zinc/36/83/61/447368361.db2.gz HXBVYGALXSYQAT-KRWDZBQOSA-N 2 2 347.507 1.575 20 0 EDADLP [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000414960174 447375937 /nfs/dbraw/zinc/37/59/37/447375937.db2.gz UCQOHZHDUBXRPC-INIZCTEOSA-N 2 2 332.448 1.864 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc(Cl)c1OC ZINC000414964760 447377612 /nfs/dbraw/zinc/37/76/12/447377612.db2.gz MUADWBHBBGUVAC-CYBMUJFWSA-N 2 2 327.856 1.741 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000414993734 447386733 /nfs/dbraw/zinc/38/67/33/447386733.db2.gz UBDJPXBZPUWWAJ-CQSZACIVSA-N 2 2 333.436 1.229 20 0 EDADLP Cc1cc(CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc(C)[nH+]1 ZINC000422205549 447401732 /nfs/dbraw/zinc/40/17/32/447401732.db2.gz NXIKKHITOFGOSR-INIZCTEOSA-N 2 2 334.464 1.999 20 0 EDADLP Cc1cc(CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc(C)[nH+]1 ZINC000422205549 447401744 /nfs/dbraw/zinc/40/17/44/447401744.db2.gz NXIKKHITOFGOSR-INIZCTEOSA-N 2 2 334.464 1.999 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000378153805 447404473 /nfs/dbraw/zinc/40/44/73/447404473.db2.gz UIJMYTCYHCMXFV-BZZMCLGOSA-N 2 2 331.460 1.692 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000378153805 447404479 /nfs/dbraw/zinc/40/44/79/447404479.db2.gz UIJMYTCYHCMXFV-BZZMCLGOSA-N 2 2 331.460 1.692 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000057379458 441111883 /nfs/dbraw/zinc/11/18/83/441111883.db2.gz CGJYVBKCEKRCFC-UHFFFAOYSA-N 2 2 328.420 1.590 20 0 EDADLP Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000057559030 441122820 /nfs/dbraw/zinc/12/28/20/441122820.db2.gz ATXICPFSDGWVKY-AWEZNQCLSA-N 2 2 349.523 1.625 20 0 EDADLP Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000057559030 441122823 /nfs/dbraw/zinc/12/28/23/441122823.db2.gz ATXICPFSDGWVKY-AWEZNQCLSA-N 2 2 349.523 1.625 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000080444023 441171095 /nfs/dbraw/zinc/17/10/95/441171095.db2.gz QVUSUMKAYOTKCH-MOPGFXCFSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000080444023 441171099 /nfs/dbraw/zinc/17/10/99/441171099.db2.gz QVUSUMKAYOTKCH-MOPGFXCFSA-N 2 2 345.487 1.484 20 0 EDADLP COC[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080599378 441182003 /nfs/dbraw/zinc/18/20/03/441182003.db2.gz LTFKCPZUTJXJLD-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000105179806 441241093 /nfs/dbraw/zinc/24/10/93/441241093.db2.gz GTIVHZNBORYTJJ-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000105179806 441241095 /nfs/dbraw/zinc/24/10/95/441241095.db2.gz GTIVHZNBORYTJJ-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000047978754 441245735 /nfs/dbraw/zinc/24/57/35/441245735.db2.gz WKOYRJATXZSRIS-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718789 441254648 /nfs/dbraw/zinc/25/46/48/441254648.db2.gz UEVRPGAZLWHKCQ-JKSUJKDBSA-N 2 2 338.496 1.665 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718789 441254651 /nfs/dbraw/zinc/25/46/51/441254651.db2.gz UEVRPGAZLWHKCQ-JKSUJKDBSA-N 2 2 338.496 1.665 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000072801539 441260743 /nfs/dbraw/zinc/26/07/43/441260743.db2.gz BXDWSCLRIGKGMD-SFHVURJKSA-N 2 2 345.487 1.344 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000072801539 441260748 /nfs/dbraw/zinc/26/07/48/441260748.db2.gz BXDWSCLRIGKGMD-SFHVURJKSA-N 2 2 345.487 1.344 20 0 EDADLP O=C(C[NH+]1CCCCCC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000025316639 441340449 /nfs/dbraw/zinc/34/04/49/441340449.db2.gz UBXQUBAKSFBSCJ-IBGZPJMESA-N 2 2 345.487 1.880 20 0 EDADLP O=C(C[NH+]1CCCCCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000025316639 441340454 /nfs/dbraw/zinc/34/04/54/441340454.db2.gz UBXQUBAKSFBSCJ-IBGZPJMESA-N 2 2 345.487 1.880 20 0 EDADLP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000105875606 441304107 /nfs/dbraw/zinc/30/41/07/441304107.db2.gz ZVHSLKYCHUMVJD-UHFFFAOYSA-N 2 2 335.452 1.299 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000073809708 441356591 /nfs/dbraw/zinc/35/65/91/441356591.db2.gz MUGYMUMQWDZXHB-KRWDZBQOSA-N 2 2 349.479 1.560 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CC(=O)NC3CC3)c2cc1C ZINC000051589432 441417005 /nfs/dbraw/zinc/41/70/05/441417005.db2.gz UAJRFJCWPIRKKK-HNNXBMFYSA-N 2 2 330.432 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CC(=O)NC3CC3)c2cc1C ZINC000051589432 441417007 /nfs/dbraw/zinc/41/70/07/441417007.db2.gz UAJRFJCWPIRKKK-HNNXBMFYSA-N 2 2 330.432 1.224 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000052291688 441445642 /nfs/dbraw/zinc/44/56/42/441445642.db2.gz ZETPRECYXROPCY-UHFFFAOYSA-N 2 2 338.415 1.936 20 0 EDADLP C[NH+]1CCN(C(=O)C2CCN(c3cc[nH+]c4ccncc43)CC2)CC1 ZINC000085656994 441448068 /nfs/dbraw/zinc/44/80/68/441448068.db2.gz SIHCKZFEONGRQV-UHFFFAOYSA-N 2 2 339.443 1.620 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nnc(C)o3)CC2)CC1 ZINC000108873427 441479067 /nfs/dbraw/zinc/47/90/67/441479067.db2.gz OJTXEWVIRHSGRZ-UHFFFAOYSA-N 2 2 335.452 1.144 20 0 EDADLP CCC[N@H+](CCO)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000052948484 441488391 /nfs/dbraw/zinc/48/83/91/441488391.db2.gz NHFSFECSEDDKGK-KRWDZBQOSA-N 2 2 333.476 1.596 20 0 EDADLP CCC[N@@H+](CCO)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000052948484 441488394 /nfs/dbraw/zinc/48/83/94/441488394.db2.gz NHFSFECSEDDKGK-KRWDZBQOSA-N 2 2 333.476 1.596 20 0 EDADLP CN(C)c1nc(NC[C@@H](O)C[NH+]2CCCCC2)[nH+]c2ccccc21 ZINC000450258346 447440612 /nfs/dbraw/zinc/44/06/12/447440612.db2.gz QFHYABLPHQCRBS-CQSZACIVSA-N 2 2 329.448 1.955 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000054038313 441555161 /nfs/dbraw/zinc/55/51/61/441555161.db2.gz DTVVMLXTIKIAGJ-UHFFFAOYSA-N 2 2 349.479 1.608 20 0 EDADLP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H](C)S1 ZINC000075893210 441565568 /nfs/dbraw/zinc/56/55/68/441565568.db2.gz OCNWXEFYYUUNOB-ZIAGYGMSSA-N 2 2 329.510 1.039 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(C)c1 ZINC000089926887 441597018 /nfs/dbraw/zinc/59/70/18/441597018.db2.gz CDKFOPYWRHDCLB-QGZVFWFLSA-N 2 2 344.459 1.599 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCCSCC1 ZINC000089979824 441608595 /nfs/dbraw/zinc/60/85/95/441608595.db2.gz LWBDFHAKVMBDEP-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCCSCC1 ZINC000089979824 441608601 /nfs/dbraw/zinc/60/86/01/441608601.db2.gz LWBDFHAKVMBDEP-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C)c1C(F)F ZINC000067191845 441616445 /nfs/dbraw/zinc/61/64/45/441616445.db2.gz GBYRRWTWUFAUKQ-UHFFFAOYSA-N 2 2 343.422 1.456 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C)c1C(F)F ZINC000067191845 441616449 /nfs/dbraw/zinc/61/64/49/441616449.db2.gz GBYRRWTWUFAUKQ-UHFFFAOYSA-N 2 2 343.422 1.456 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000090046661 441617196 /nfs/dbraw/zinc/61/71/96/441617196.db2.gz XTAIJALWGWEJNS-SJORKVTESA-N 2 2 325.497 1.868 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198877 441640861 /nfs/dbraw/zinc/64/08/61/441640861.db2.gz PJJYNRXABLOMSR-UONOGXRCSA-N 2 2 333.432 1.668 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198877 441640867 /nfs/dbraw/zinc/64/08/67/441640867.db2.gz PJJYNRXABLOMSR-UONOGXRCSA-N 2 2 333.432 1.668 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000114198985 441640883 /nfs/dbraw/zinc/64/08/83/441640883.db2.gz UOQAAAKNCJJCCR-GOEBONIOSA-N 2 2 349.475 1.592 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000114198985 441640887 /nfs/dbraw/zinc/64/08/87/441640887.db2.gz UOQAAAKNCJJCCR-GOEBONIOSA-N 2 2 349.475 1.592 20 0 EDADLP CCOC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000042248016 441718461 /nfs/dbraw/zinc/71/84/61/441718461.db2.gz JGOJJPBJECOCFX-UHFFFAOYSA-N 2 2 337.464 1.005 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077224693 441737218 /nfs/dbraw/zinc/73/72/18/441737218.db2.gz IRONDHBLPZCPRC-OAHLLOKOSA-N 2 2 335.415 1.941 20 0 EDADLP C[NH+]1CCN(C[C@@H](NC(=O)CCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000068190910 441750810 /nfs/dbraw/zinc/75/08/10/441750810.db2.gz SANCTXKFWSJGPQ-GOSISDBHSA-N 2 2 341.459 1.378 20 0 EDADLP CCC[C@@H](C(=O)OCC)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000116399816 441819123 /nfs/dbraw/zinc/81/91/23/441819123.db2.gz OXRRJDFVIZUEOL-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP CCC[C@@H](C(=O)OCC)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000116399816 441819130 /nfs/dbraw/zinc/81/91/30/441819130.db2.gz OXRRJDFVIZUEOL-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NCCC[NH+](C)C)c[nH+]2)CCO1 ZINC000042922091 441798933 /nfs/dbraw/zinc/79/89/33/441798933.db2.gz DXJPFSYIPCQTQH-AWEZNQCLSA-N 2 2 335.452 1.058 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1 ZINC000092924404 441840549 /nfs/dbraw/zinc/84/05/49/441840549.db2.gz UMODKYWOZATAPO-UHFFFAOYSA-N 2 2 344.463 1.765 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)C[C@H]1CCC[NH+](C)C1 ZINC000118842270 441906406 /nfs/dbraw/zinc/90/64/06/441906406.db2.gz IMABFFURCWLGAK-HNNXBMFYSA-N 2 2 333.432 1.305 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)C[C@H]1CCC[NH+](C)C1 ZINC000118842270 441906412 /nfs/dbraw/zinc/90/64/12/441906412.db2.gz IMABFFURCWLGAK-HNNXBMFYSA-N 2 2 333.432 1.305 20 0 EDADLP C[NH+](CC(=O)NCc1ccc2c(c1)OCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000118842270 441906417 /nfs/dbraw/zinc/90/64/17/441906417.db2.gz IMABFFURCWLGAK-HNNXBMFYSA-N 2 2 333.432 1.305 20 0 EDADLP C[NH+](CC(=O)NCc1ccc2c(c1)OCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842270 441906422 /nfs/dbraw/zinc/90/64/22/441906422.db2.gz IMABFFURCWLGAK-HNNXBMFYSA-N 2 2 333.432 1.305 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@@H]21 ZINC000124329948 441917482 /nfs/dbraw/zinc/91/74/82/441917482.db2.gz SWYLYGHLEABJSH-DLBZAZTESA-N 2 2 326.400 1.086 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@@H]21 ZINC000124329948 441917487 /nfs/dbraw/zinc/91/74/87/441917487.db2.gz SWYLYGHLEABJSH-DLBZAZTESA-N 2 2 326.400 1.086 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c(-c2ccncc2)n1 ZINC000093412971 441887059 /nfs/dbraw/zinc/88/70/59/441887059.db2.gz TYSSBQMKRWRDDE-UHFFFAOYSA-N 2 2 343.475 1.761 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(-c2ccncc2)n1 ZINC000093412971 441887065 /nfs/dbraw/zinc/88/70/65/441887065.db2.gz TYSSBQMKRWRDDE-UHFFFAOYSA-N 2 2 343.475 1.761 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000174169478 441898284 /nfs/dbraw/zinc/89/82/84/441898284.db2.gz WKFCCNFLEXUYMI-UHFFFAOYSA-N 2 2 349.479 1.636 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174888699 441979383 /nfs/dbraw/zinc/97/93/83/441979383.db2.gz VMASPVCXMIHMEI-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174888699 441979387 /nfs/dbraw/zinc/97/93/87/441979387.db2.gz VMASPVCXMIHMEI-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NCc1cc(F)cc(F)c1 ZINC000150772241 441947497 /nfs/dbraw/zinc/94/74/97/441947497.db2.gz HOJRNQYOFVHZDQ-AWEZNQCLSA-N 2 2 337.414 1.999 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NCc1cc(F)cc(F)c1 ZINC000150772241 441947501 /nfs/dbraw/zinc/94/75/01/441947501.db2.gz HOJRNQYOFVHZDQ-AWEZNQCLSA-N 2 2 337.414 1.999 20 0 EDADLP C[C@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000174737893 441962220 /nfs/dbraw/zinc/96/22/20/441962220.db2.gz GZNAHNPAVXEPII-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000174737893 441962226 /nfs/dbraw/zinc/96/22/26/441962226.db2.gz GZNAHNPAVXEPII-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000125290804 442005835 /nfs/dbraw/zinc/00/58/35/442005835.db2.gz UCWBEXUGDNIQQI-MRXNPFEDSA-N 2 2 339.505 1.689 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1 ZINC000125290804 442005839 /nfs/dbraw/zinc/00/58/39/442005839.db2.gz UCWBEXUGDNIQQI-MRXNPFEDSA-N 2 2 339.505 1.689 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000125290804 442005843 /nfs/dbraw/zinc/00/58/43/442005843.db2.gz UCWBEXUGDNIQQI-MRXNPFEDSA-N 2 2 339.505 1.689 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1 ZINC000125290804 442005849 /nfs/dbraw/zinc/00/58/49/442005849.db2.gz UCWBEXUGDNIQQI-MRXNPFEDSA-N 2 2 339.505 1.689 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079060032 442014093 /nfs/dbraw/zinc/01/40/93/442014093.db2.gz XCSDEXDOMXWRLK-HNNXBMFYSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079060032 442014100 /nfs/dbraw/zinc/01/41/00/442014100.db2.gz XCSDEXDOMXWRLK-HNNXBMFYSA-N 2 2 342.447 1.941 20 0 EDADLP CCN(CC)C(=O)CN1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000125442619 442021323 /nfs/dbraw/zinc/02/13/23/442021323.db2.gz VYHSJCGBRFJLHJ-UHFFFAOYSA-N 2 2 335.496 1.458 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cnc(C(C)(C)C)nc2)CC1 ZINC000175284277 442033277 /nfs/dbraw/zinc/03/32/77/442033277.db2.gz NAXLIVNAWDBNIT-UHFFFAOYSA-N 2 2 348.495 1.922 20 0 EDADLP Cc1cc(C)nc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)n1 ZINC000161929036 442045404 /nfs/dbraw/zinc/04/54/04/442045404.db2.gz GZJGIIAFRPXNEV-UHFFFAOYSA-N 2 2 349.442 1.996 20 0 EDADLP COc1ccccc1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175521207 442079365 /nfs/dbraw/zinc/07/93/65/442079365.db2.gz SWKYIOUISILDGK-UHFFFAOYSA-N 2 2 334.464 1.520 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000175781743 442121370 /nfs/dbraw/zinc/12/13/70/442121370.db2.gz MCGYPEQDPPSGHZ-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000175781743 442121373 /nfs/dbraw/zinc/12/13/73/442121373.db2.gz MCGYPEQDPPSGHZ-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CN(CC[NH+](C)C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000176189311 442187585 /nfs/dbraw/zinc/18/75/85/442187585.db2.gz MWBQMTKIWGBEHK-UHFFFAOYSA-N 2 2 329.448 1.677 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c[nH+]1 ZINC000121398642 442212628 /nfs/dbraw/zinc/21/26/28/442212628.db2.gz QHBYUCJORHDNTA-QGZVFWFLSA-N 2 2 337.468 1.040 20 0 EDADLP COc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000152468546 442216152 /nfs/dbraw/zinc/21/61/52/442216152.db2.gz YQLQBKXHABUXCP-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000152468546 442216154 /nfs/dbraw/zinc/21/61/54/442216154.db2.gz YQLQBKXHABUXCP-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000152468546 442216156 /nfs/dbraw/zinc/21/61/56/442216156.db2.gz YQLQBKXHABUXCP-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000152468546 442216158 /nfs/dbraw/zinc/21/61/58/442216158.db2.gz YQLQBKXHABUXCP-CQSZACIVSA-N 2 2 335.448 1.916 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170684632 442248343 /nfs/dbraw/zinc/24/83/43/442248343.db2.gz ZWDDFXHGMZTGNB-MRXNPFEDSA-N 2 2 325.416 1.968 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000170773359 442261629 /nfs/dbraw/zinc/26/16/29/442261629.db2.gz VGXBXRPVWIVNMB-UHFFFAOYSA-N 2 2 330.432 1.474 20 0 EDADLP C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000128560167 442274061 /nfs/dbraw/zinc/27/40/61/442274061.db2.gz QLWCVGDCISBJKS-GOEBONIOSA-N 2 2 341.415 1.489 20 0 EDADLP C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000128560167 442274062 /nfs/dbraw/zinc/27/40/62/442274062.db2.gz QLWCVGDCISBJKS-GOEBONIOSA-N 2 2 341.415 1.489 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000128561264 442274953 /nfs/dbraw/zinc/27/49/53/442274953.db2.gz LRADEUAUOHQOSQ-INIZCTEOSA-N 2 2 326.400 1.533 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000128561264 442274955 /nfs/dbraw/zinc/27/49/55/442274955.db2.gz LRADEUAUOHQOSQ-INIZCTEOSA-N 2 2 326.400 1.533 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000171011810 442299206 /nfs/dbraw/zinc/29/92/06/442299206.db2.gz GLHNNFAWHWYZSZ-UHFFFAOYSA-N 2 2 335.452 1.294 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000171011810 442299207 /nfs/dbraw/zinc/29/92/07/442299207.db2.gz GLHNNFAWHWYZSZ-UHFFFAOYSA-N 2 2 335.452 1.294 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccsc3C(=O)OC)C2)CC1 ZINC000130675721 442353651 /nfs/dbraw/zinc/35/36/51/442353651.db2.gz AERAHECMOYPLLC-HNNXBMFYSA-N 2 2 337.489 1.747 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccsc3C(=O)OC)C2)CC1 ZINC000130675721 442353652 /nfs/dbraw/zinc/35/36/52/442353652.db2.gz AERAHECMOYPLLC-HNNXBMFYSA-N 2 2 337.489 1.747 20 0 EDADLP CC[C@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255630 442321124 /nfs/dbraw/zinc/32/11/24/442321124.db2.gz QVLASXUKVKWEMI-INIZCTEOSA-N 2 2 332.492 1.935 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255630 442321125 /nfs/dbraw/zinc/32/11/25/442321125.db2.gz QVLASXUKVKWEMI-INIZCTEOSA-N 2 2 332.492 1.935 20 0 EDADLP C[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)[NH+]1CCSCC1 ZINC000154095645 442321554 /nfs/dbraw/zinc/32/15/54/442321554.db2.gz GJHDLUNWLJZHLC-CQSZACIVSA-N 2 2 336.505 1.639 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)NC2(CCCC2)C1=O ZINC000177314877 442327979 /nfs/dbraw/zinc/32/79/79/442327979.db2.gz DSWNIYYQMZRKSM-CABCVRRESA-N 2 2 334.464 1.410 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)NC2(CCCC2)C1=O ZINC000177314877 442327980 /nfs/dbraw/zinc/32/79/80/442327980.db2.gz DSWNIYYQMZRKSM-CABCVRRESA-N 2 2 334.464 1.410 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)NC2(CCCC2)C1=O ZINC000177314877 442327984 /nfs/dbraw/zinc/32/79/84/442327984.db2.gz DSWNIYYQMZRKSM-CABCVRRESA-N 2 2 334.464 1.410 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)NC2(CCCC2)C1=O ZINC000177314877 442327987 /nfs/dbraw/zinc/32/79/87/442327987.db2.gz DSWNIYYQMZRKSM-CABCVRRESA-N 2 2 334.464 1.410 20 0 EDADLP CCC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000154263075 442329291 /nfs/dbraw/zinc/32/92/91/442329291.db2.gz SQPLRJJLSPLRRQ-OAHLLOKOSA-N 2 2 336.455 1.452 20 0 EDADLP CCCCCOCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154321324 442332290 /nfs/dbraw/zinc/33/22/90/442332290.db2.gz DCRKFIPZSIVZND-JWTNVVGKSA-N 2 2 337.508 1.963 20 0 EDADLP CCCCCOCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154321324 442332293 /nfs/dbraw/zinc/33/22/93/442332293.db2.gz DCRKFIPZSIVZND-JWTNVVGKSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000171316188 442341116 /nfs/dbraw/zinc/34/11/16/442341116.db2.gz PEUZPDFSMOHZAG-HNNXBMFYSA-N 2 2 343.475 1.487 20 0 EDADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129243840 442307817 /nfs/dbraw/zinc/30/78/17/442307817.db2.gz DTMCUBLHLMFPIW-KSZLIROESA-N 2 2 337.508 1.678 20 0 EDADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129243840 442307820 /nfs/dbraw/zinc/30/78/20/442307820.db2.gz DTMCUBLHLMFPIW-KSZLIROESA-N 2 2 337.508 1.678 20 0 EDADLP C[C@H]1CC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000155065348 442374037 /nfs/dbraw/zinc/37/40/37/442374037.db2.gz MRRCBLKDWQQDCI-GJZGRUSLSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@H]1CC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000155065348 442374038 /nfs/dbraw/zinc/37/40/38/442374038.db2.gz MRRCBLKDWQQDCI-GJZGRUSLSA-N 2 2 340.512 1.610 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C(N)=O)c2ccccc2)[C@H](C)C1 ZINC000177778661 442383575 /nfs/dbraw/zinc/38/35/75/442383575.db2.gz RXYFTUBGVVSZTM-NJAFHUGGSA-N 2 2 333.476 1.940 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C(N)=O)c2ccccc2)[C@H](C)C1 ZINC000177778661 442383578 /nfs/dbraw/zinc/38/35/78/442383578.db2.gz RXYFTUBGVVSZTM-NJAFHUGGSA-N 2 2 333.476 1.940 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177788461 442384442 /nfs/dbraw/zinc/38/44/42/442384442.db2.gz DSDMMUODVXUTBN-UHFFFAOYSA-N 2 2 345.447 1.323 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177788461 442384445 /nfs/dbraw/zinc/38/44/45/442384445.db2.gz DSDMMUODVXUTBN-UHFFFAOYSA-N 2 2 345.447 1.323 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000177808137 442386912 /nfs/dbraw/zinc/38/69/12/442386912.db2.gz DARREYREXYLYAA-CQSZACIVSA-N 2 2 328.464 1.726 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000132330614 442391745 /nfs/dbraw/zinc/39/17/45/442391745.db2.gz WUBTZBUQCKQNBV-HZPDHXFCSA-N 2 2 332.448 1.159 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000132768867 442399502 /nfs/dbraw/zinc/39/95/02/442399502.db2.gz YQEIFWNDYMNYDZ-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000132768867 442399503 /nfs/dbraw/zinc/39/95/03/442399503.db2.gz YQEIFWNDYMNYDZ-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000132768867 442399504 /nfs/dbraw/zinc/39/95/04/442399504.db2.gz YQEIFWNDYMNYDZ-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000132768867 442399506 /nfs/dbraw/zinc/39/95/06/442399506.db2.gz YQEIFWNDYMNYDZ-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000178069272 442405475 /nfs/dbraw/zinc/40/54/75/442405475.db2.gz FZXZHCUPENQZCZ-HNNXBMFYSA-N 2 2 333.432 1.273 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000172344974 442447358 /nfs/dbraw/zinc/44/73/58/442447358.db2.gz YWDQSTJNHAMCAG-UHFFFAOYSA-N 2 2 330.432 1.308 20 0 EDADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCN(C)CC2)CC1 ZINC000178852029 442502473 /nfs/dbraw/zinc/50/24/73/442502473.db2.gz YRJPIJOMADXQPL-APWZRJJASA-N 2 2 344.503 1.561 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186457012 442537520 /nfs/dbraw/zinc/53/75/20/442537520.db2.gz VMCFRRXPWWPQAM-BEFAXECRSA-N 2 2 333.476 1.905 20 0 EDADLP CC(C)[NH+](CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1)C(C)C ZINC000157018053 442542310 /nfs/dbraw/zinc/54/23/10/442542310.db2.gz BWYSFPURMJOTLB-UHFFFAOYSA-N 2 2 347.507 1.439 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000157156236 442554922 /nfs/dbraw/zinc/55/49/22/442554922.db2.gz CYFDVTKBPBCDRW-SFHVURJKSA-N 3 2 348.535 1.680 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000157156236 442554925 /nfs/dbraw/zinc/55/49/25/442554925.db2.gz CYFDVTKBPBCDRW-SFHVURJKSA-N 3 2 348.535 1.680 20 0 EDADLP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180356176 442586073 /nfs/dbraw/zinc/58/60/73/442586073.db2.gz NCAJBOPGSGNTCM-IRXDYDNUSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000180356176 442586074 /nfs/dbraw/zinc/58/60/74/442586074.db2.gz NCAJBOPGSGNTCM-IRXDYDNUSA-N 2 2 348.491 1.527 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000186699790 442594921 /nfs/dbraw/zinc/59/49/21/442594921.db2.gz XISDGQTYLDJFIZ-PXNSSMCTSA-N 2 2 345.487 1.863 20 0 EDADLP CSC[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000135464598 442599767 /nfs/dbraw/zinc/59/97/67/442599767.db2.gz KWDPQACFPCTSBO-HNNXBMFYSA-N 2 2 337.489 1.751 20 0 EDADLP CSC[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000135464598 442599768 /nfs/dbraw/zinc/59/97/68/442599768.db2.gz KWDPQACFPCTSBO-HNNXBMFYSA-N 2 2 337.489 1.751 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C(C)(C)C)n1 ZINC000180617563 442635452 /nfs/dbraw/zinc/63/54/52/442635452.db2.gz IBVIPGDGPUMVSD-MRXNPFEDSA-N 2 2 347.507 1.456 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C(C)(C)C)n1 ZINC000180617563 442635457 /nfs/dbraw/zinc/63/54/57/442635457.db2.gz IBVIPGDGPUMVSD-MRXNPFEDSA-N 2 2 347.507 1.456 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(C[C@@H]2CCOC2)C2CC2)CC1 ZINC000179278758 442611186 /nfs/dbraw/zinc/61/11/86/442611186.db2.gz MZHHGBHGVQUYQC-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCCc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000181034864 442676871 /nfs/dbraw/zinc/67/68/71/442676871.db2.gz FHWXJTBAWWMWLA-HKUYNNGSSA-N 2 2 343.471 1.587 20 0 EDADLP CC[NH+](CC)CCN1CCC[N@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000181370262 442692815 /nfs/dbraw/zinc/69/28/15/442692815.db2.gz DCXVIBPMAYQJIZ-OAHLLOKOSA-N 2 2 339.484 1.627 20 0 EDADLP CC[NH+](CC)CCN1CCC[N@@H+](Cc2nc([C@@H](C)OC)no2)CC1 ZINC000181370262 442692816 /nfs/dbraw/zinc/69/28/16/442692816.db2.gz DCXVIBPMAYQJIZ-OAHLLOKOSA-N 2 2 339.484 1.627 20 0 EDADLP COC[C@H](C)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000187828868 442694224 /nfs/dbraw/zinc/69/42/24/442694224.db2.gz QQGPJVCXHYIMSU-CVEARBPZSA-N 2 2 349.479 1.154 20 0 EDADLP CN(C)c1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000192566890 442663877 /nfs/dbraw/zinc/66/38/77/442663877.db2.gz LDWDAAIBBXAJHN-UHFFFAOYSA-N 2 2 332.492 1.851 20 0 EDADLP CN(C)c1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000192566890 442663880 /nfs/dbraw/zinc/66/38/80/442663880.db2.gz LDWDAAIBBXAJHN-UHFFFAOYSA-N 2 2 332.492 1.851 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000187302236 442668355 /nfs/dbraw/zinc/66/83/55/442668355.db2.gz YVNYTNDLPPEUNJ-QGZVFWFLSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000187302236 442668357 /nfs/dbraw/zinc/66/83/57/442668357.db2.gz YVNYTNDLPPEUNJ-QGZVFWFLSA-N 2 2 337.508 1.866 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCOCC1 ZINC000181846147 442719140 /nfs/dbraw/zinc/71/91/40/442719140.db2.gz YNFXELWUHLELPD-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCOCC1 ZINC000181846147 442719141 /nfs/dbraw/zinc/71/91/41/442719141.db2.gz YNFXELWUHLELPD-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000193208184 442722814 /nfs/dbraw/zinc/72/28/14/442722814.db2.gz PGQWGRBWDOGQNP-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000193208184 442722816 /nfs/dbraw/zinc/72/28/16/442722816.db2.gz PGQWGRBWDOGQNP-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cn3cccc(C)c3[nH+]2)C1(C)C ZINC000188194654 442723185 /nfs/dbraw/zinc/72/31/85/442723185.db2.gz AYPSNPNZFZRILZ-KBXCAEBGSA-N 2 2 330.432 1.791 20 0 EDADLP CC(C)(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000193104529 442713574 /nfs/dbraw/zinc/71/35/74/442713574.db2.gz YGNWUYMIHBKBFS-QGZVFWFLSA-N 2 2 349.475 1.454 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188704826 442791828 /nfs/dbraw/zinc/79/18/28/442791828.db2.gz NRKDZTJWNUWQQY-CQSZACIVSA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188704826 442791831 /nfs/dbraw/zinc/79/18/31/442791831.db2.gz NRKDZTJWNUWQQY-CQSZACIVSA-N 2 2 344.459 1.648 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1F ZINC000193652253 442764071 /nfs/dbraw/zinc/76/40/71/442764071.db2.gz NMFYBGNJPODCJX-CWRNSKLLSA-N 2 2 349.450 1.675 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1F 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ZINC000266944331 443298189 /nfs/dbraw/zinc/29/81/89/443298189.db2.gz VVJQGYWXMCYKRU-AOIWGVFYSA-N 2 2 345.487 1.686 20 0 EDADLP COCC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccco1 ZINC000272505411 443343329 /nfs/dbraw/zinc/34/33/29/443343329.db2.gz HAYAEZRLTAULAH-MRXNPFEDSA-N 2 2 345.447 1.689 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCSC1 ZINC000267154850 443360328 /nfs/dbraw/zinc/36/03/28/443360328.db2.gz XKRJXCSQRIFKNL-INIZCTEOSA-N 2 2 331.445 1.434 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000272700926 443413869 /nfs/dbraw/zinc/41/38/69/443413869.db2.gz YPXPMGITUBYIQF-GUDVDZBRSA-N 2 2 343.471 1.440 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000272700926 443413875 /nfs/dbraw/zinc/41/38/75/443413875.db2.gz YPXPMGITUBYIQF-GUDVDZBRSA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000272700926 443413878 /nfs/dbraw/zinc/41/38/78/443413878.db2.gz YPXPMGITUBYIQF-GUDVDZBRSA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000272700926 443413882 /nfs/dbraw/zinc/41/38/82/443413882.db2.gz YPXPMGITUBYIQF-GUDVDZBRSA-N 2 2 343.471 1.440 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420370437 319612130 /nfs/dbraw/zinc/61/21/30/319612130.db2.gz VSCNQKHSBSAKTC-HNNXBMFYSA-N 2 2 332.448 1.353 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000264785703 443424484 /nfs/dbraw/zinc/42/44/84/443424484.db2.gz RTWTZAKUPNONHI-IBGZPJMESA-N 2 2 346.519 1.775 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000264785703 443424489 /nfs/dbraw/zinc/42/44/89/443424489.db2.gz RTWTZAKUPNONHI-IBGZPJMESA-N 2 2 346.519 1.775 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000264785703 443424493 /nfs/dbraw/zinc/42/44/93/443424493.db2.gz RTWTZAKUPNONHI-IBGZPJMESA-N 2 2 346.519 1.775 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000264812302 443436145 /nfs/dbraw/zinc/43/61/45/443436145.db2.gz GHIWAXGYKOGILJ-MRXNPFEDSA-N 2 2 334.464 1.981 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000264812302 443436150 /nfs/dbraw/zinc/43/61/50/443436150.db2.gz GHIWAXGYKOGILJ-MRXNPFEDSA-N 2 2 334.464 1.981 20 0 EDADLP C[C@H](O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264746013 443402778 /nfs/dbraw/zinc/40/27/78/443402778.db2.gz TYISNBPBJGOHDA-KRWDZBQOSA-N 2 2 345.487 1.424 20 0 EDADLP COc1cc[nH+]c(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1OC ZINC000278697248 443405720 /nfs/dbraw/zinc/40/57/20/443405720.db2.gz PXUNTMRNZKODHP-AWEZNQCLSA-N 2 2 335.448 1.784 20 0 EDADLP COc1cc[nH+]c(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1OC ZINC000278697248 443405723 /nfs/dbraw/zinc/40/57/23/443405723.db2.gz PXUNTMRNZKODHP-AWEZNQCLSA-N 2 2 335.448 1.784 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000272791730 443447152 /nfs/dbraw/zinc/44/71/52/443447152.db2.gz WWTCQNJPFQJVPF-HXUWFJFHSA-N 2 2 347.503 1.769 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000272791730 443447157 /nfs/dbraw/zinc/44/71/57/443447157.db2.gz WWTCQNJPFQJVPF-HXUWFJFHSA-N 2 2 347.503 1.769 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cc(C)[nH+]1 ZINC000422978577 319744556 /nfs/dbraw/zinc/74/45/56/319744556.db2.gz ZQVDCZKJMYENBJ-UHFFFAOYSA-N 2 2 344.459 1.305 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1nc2ccccc2n1C ZINC000271733811 443511555 /nfs/dbraw/zinc/51/15/55/443511555.db2.gz PEBWRPXFEAUYPY-BBRMVZONSA-N 2 2 329.448 1.564 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1nc2ccccc2n1C ZINC000271733811 443511557 /nfs/dbraw/zinc/51/15/57/443511557.db2.gz PEBWRPXFEAUYPY-BBRMVZONSA-N 2 2 329.448 1.564 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000272433719 443623694 /nfs/dbraw/zinc/62/36/94/443623694.db2.gz DNCYIMLPSOVGEM-PMPSAXMXSA-N 2 2 329.448 1.396 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000272433719 443623696 /nfs/dbraw/zinc/62/36/96/443623696.db2.gz DNCYIMLPSOVGEM-PMPSAXMXSA-N 2 2 329.448 1.396 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000283369523 443615107 /nfs/dbraw/zinc/61/51/07/443615107.db2.gz DWNGDGOTBVLSNN-NSCUHMNNSA-N 3 2 340.431 1.146 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000279989026 443654055 /nfs/dbraw/zinc/65/40/55/443654055.db2.gz GISBCUITRFRHGF-QGZVFWFLSA-N 2 2 334.464 1.942 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000279989026 443654057 /nfs/dbraw/zinc/65/40/57/443654057.db2.gz GISBCUITRFRHGF-QGZVFWFLSA-N 2 2 334.464 1.942 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000434867722 320005428 /nfs/dbraw/zinc/00/54/28/320005428.db2.gz FWNHJXUGOSHGQN-HNNXBMFYSA-N 2 2 334.489 1.783 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000434869721 320005839 /nfs/dbraw/zinc/00/58/39/320005839.db2.gz ADYRLGNIUVNCQZ-JTQLQIEISA-N 2 2 336.383 1.499 20 0 EDADLP COCC[C@]1([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCOC1 ZINC000447403047 320141040 /nfs/dbraw/zinc/14/10/40/320141040.db2.gz NFXQUIXTVUHBDG-APWZRJJASA-N 2 2 347.459 1.799 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000449391790 320187502 /nfs/dbraw/zinc/18/75/02/320187502.db2.gz ZKBBEUZCYMCZCA-DOTOQJQBSA-N 2 2 349.475 1.849 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)c1 ZINC000449391790 320187505 /nfs/dbraw/zinc/18/75/05/320187505.db2.gz ZKBBEUZCYMCZCA-DOTOQJQBSA-N 2 2 349.475 1.849 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452354916 320247777 /nfs/dbraw/zinc/24/77/77/320247777.db2.gz WNLSYIOUCGZIJR-HNNXBMFYSA-N 2 2 344.459 1.562 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC000453637524 320265533 /nfs/dbraw/zinc/26/55/33/320265533.db2.gz UYNDJKMOMLCUCC-HOTGVXAUSA-N 2 2 337.464 1.147 20 0 EDADLP COc1ccc(/C=C/C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000492082359 320375154 /nfs/dbraw/zinc/37/51/54/320375154.db2.gz HDPCAHJEKXTMLD-RMKNXTFCSA-N 2 2 331.460 1.851 20 0 EDADLP CN(C)S(=O)(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000286249846 443676632 /nfs/dbraw/zinc/67/66/32/443676632.db2.gz CTHGKMLXQBKJEB-QGZVFWFLSA-N 2 2 339.505 1.332 20 0 EDADLP CN(C)S(=O)(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000286249846 443676634 /nfs/dbraw/zinc/67/66/34/443676634.db2.gz CTHGKMLXQBKJEB-QGZVFWFLSA-N 2 2 339.505 1.332 20 0 EDADLP CN(C)S(=O)(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286249846 443676636 /nfs/dbraw/zinc/67/66/36/443676636.db2.gz CTHGKMLXQBKJEB-QGZVFWFLSA-N 2 2 339.505 1.332 20 0 EDADLP CN(C)S(=O)(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286249846 443676638 /nfs/dbraw/zinc/67/66/38/443676638.db2.gz CTHGKMLXQBKJEB-QGZVFWFLSA-N 2 2 339.505 1.332 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N(C)CCC[NH3+])[NH+]2CCOCC2)cc1 ZINC000517337631 320448380 /nfs/dbraw/zinc/44/83/80/320448380.db2.gz MLAVYLLINPYGGL-KRWDZBQOSA-N 2 2 334.464 1.359 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1[NH+]1CCOCC1 ZINC000276459506 443712987 /nfs/dbraw/zinc/71/29/87/443712987.db2.gz ABDIBRLNLVALLK-HNAYVOBHSA-N 2 2 343.471 1.168 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc(Cl)c1O ZINC000298255084 443731588 /nfs/dbraw/zinc/73/15/88/443731588.db2.gz DXQMEYHEGYIODW-ZDUSSCGKSA-N 2 2 328.840 1.991 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000298258689 443732402 /nfs/dbraw/zinc/73/24/02/443732402.db2.gz ZNAWMNCIRFAPLA-QGZVFWFLSA-N 2 2 341.459 1.971 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000298258689 443732405 /nfs/dbraw/zinc/73/24/05/443732405.db2.gz ZNAWMNCIRFAPLA-QGZVFWFLSA-N 2 2 341.459 1.971 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)S1 ZINC000283839683 443737971 /nfs/dbraw/zinc/73/79/71/443737971.db2.gz BKZQEHFLMOSAMN-UHFFFAOYSA-N 2 2 343.456 1.974 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000291048960 443741065 /nfs/dbraw/zinc/74/10/65/443741065.db2.gz MRDGAFKTCBIWIF-CXAGYDPISA-N 2 2 332.379 1.677 20 0 EDADLP CCCCCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000298549025 443796892 /nfs/dbraw/zinc/79/68/92/443796892.db2.gz NXQNJLGTGFWTST-OAHLLOKOSA-N 2 2 334.464 1.907 20 0 EDADLP CCCCCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000298549025 443796894 /nfs/dbraw/zinc/79/68/94/443796894.db2.gz NXQNJLGTGFWTST-OAHLLOKOSA-N 2 2 334.464 1.907 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000285072658 443845728 /nfs/dbraw/zinc/84/57/28/443845728.db2.gz WPKASYMNGQWOFN-BZSNNMDCSA-N 2 2 331.460 1.659 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000285072658 443845730 /nfs/dbraw/zinc/84/57/30/443845730.db2.gz WPKASYMNGQWOFN-BZSNNMDCSA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000285072658 443845733 /nfs/dbraw/zinc/84/57/33/443845733.db2.gz WPKASYMNGQWOFN-BZSNNMDCSA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000285072658 443845736 /nfs/dbraw/zinc/84/57/36/443845736.db2.gz WPKASYMNGQWOFN-BZSNNMDCSA-N 2 2 331.460 1.659 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH+](Cc2cccnc2)CC1 ZINC000298772449 443863885 /nfs/dbraw/zinc/86/38/85/443863885.db2.gz XNLLWJFDAXJSNC-MSOLQXFVSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH+](Cc2cccnc2)CC1 ZINC000298772449 443863888 /nfs/dbraw/zinc/86/38/88/443863888.db2.gz XNLLWJFDAXJSNC-MSOLQXFVSA-N 2 2 343.475 1.536 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)[nH+]c2c1 ZINC000277073970 443903318 /nfs/dbraw/zinc/90/33/18/443903318.db2.gz RDUQWPSIPIATMW-HNNXBMFYSA-N 2 2 338.415 1.694 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293027701 443907020 /nfs/dbraw/zinc/90/70/20/443907020.db2.gz RGHCMFZJKAJVMI-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293027701 443907024 /nfs/dbraw/zinc/90/70/24/443907024.db2.gz RGHCMFZJKAJVMI-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293027701 443907028 /nfs/dbraw/zinc/90/70/28/443907028.db2.gz RGHCMFZJKAJVMI-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293027701 443907029 /nfs/dbraw/zinc/90/70/29/443907029.db2.gz RGHCMFZJKAJVMI-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000281451530 443915218 /nfs/dbraw/zinc/91/52/18/443915218.db2.gz AHLXIVDPAJOFKF-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000281451530 443915223 /nfs/dbraw/zinc/91/52/23/443915223.db2.gz AHLXIVDPAJOFKF-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000293112880 443928470 /nfs/dbraw/zinc/92/84/70/443928470.db2.gz YPIUJEUIGQNMSJ-QGZVFWFLSA-N 2 2 337.489 1.383 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000293112880 443928472 /nfs/dbraw/zinc/92/84/72/443928472.db2.gz YPIUJEUIGQNMSJ-QGZVFWFLSA-N 2 2 337.489 1.383 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000293112880 443928473 /nfs/dbraw/zinc/92/84/73/443928473.db2.gz YPIUJEUIGQNMSJ-QGZVFWFLSA-N 2 2 337.489 1.383 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000293112880 443928475 /nfs/dbraw/zinc/92/84/75/443928475.db2.gz YPIUJEUIGQNMSJ-QGZVFWFLSA-N 2 2 337.489 1.383 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299260792 443999605 /nfs/dbraw/zinc/99/96/05/443999605.db2.gz LIYFMSYVFDCZNX-AWEZNQCLSA-N 2 2 329.404 1.216 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299260792 443999610 /nfs/dbraw/zinc/99/96/10/443999610.db2.gz LIYFMSYVFDCZNX-AWEZNQCLSA-N 2 2 329.404 1.216 20 0 EDADLP COC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293536433 444047750 /nfs/dbraw/zinc/04/77/50/444047750.db2.gz JUHWBBXRQMXKDT-NJAFHUGGSA-N 2 2 331.460 1.486 20 0 EDADLP COC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000293536433 444047755 /nfs/dbraw/zinc/04/77/55/444047755.db2.gz JUHWBBXRQMXKDT-NJAFHUGGSA-N 2 2 331.460 1.486 20 0 EDADLP COC[C@@H]1CC[NH+]1[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000293536433 444047760 /nfs/dbraw/zinc/04/77/60/444047760.db2.gz JUHWBBXRQMXKDT-NJAFHUGGSA-N 2 2 331.460 1.486 20 0 EDADLP COC[C@@H]1CC[NH+]1[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293536433 444047764 /nfs/dbraw/zinc/04/77/64/444047764.db2.gz JUHWBBXRQMXKDT-NJAFHUGGSA-N 2 2 331.460 1.486 20 0 EDADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282077663 444080611 /nfs/dbraw/zinc/08/06/11/444080611.db2.gz NTBVDXJVJRPNTK-AWEZNQCLSA-N 2 2 347.463 1.635 20 0 EDADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282077663 444080615 /nfs/dbraw/zinc/08/06/15/444080615.db2.gz NTBVDXJVJRPNTK-AWEZNQCLSA-N 2 2 347.463 1.635 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CCSC1 ZINC000557713830 321005918 /nfs/dbraw/zinc/00/59/18/321005918.db2.gz GLRPOCJTMRKFJI-CQSZACIVSA-N 2 2 331.445 1.702 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CCSC1 ZINC000557713830 321005919 /nfs/dbraw/zinc/00/59/19/321005919.db2.gz GLRPOCJTMRKFJI-CQSZACIVSA-N 2 2 331.445 1.702 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)[C@H]2C1 ZINC000285666951 444066228 /nfs/dbraw/zinc/06/62/28/444066228.db2.gz GURUURJBQDMIBN-ROUUACIJSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)[C@H]2C1 ZINC000285666951 444066230 /nfs/dbraw/zinc/06/62/30/444066230.db2.gz GURUURJBQDMIBN-ROUUACIJSA-N 2 2 340.427 1.477 20 0 EDADLP COc1ccc(OC(C)C)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000560984114 321030101 /nfs/dbraw/zinc/03/01/01/321030101.db2.gz OBIQDBHMLHCKHZ-CYBMUJFWSA-N 2 2 336.436 1.589 20 0 EDADLP COc1ccc(OC(C)C)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000560984114 321030103 /nfs/dbraw/zinc/03/01/03/321030103.db2.gz OBIQDBHMLHCKHZ-CYBMUJFWSA-N 2 2 336.436 1.589 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC000561015202 321031452 /nfs/dbraw/zinc/03/14/52/321031452.db2.gz DWEJZHIRBWSFST-DZGCQCFKSA-N 2 2 343.431 1.604 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H]1C ZINC000561015202 321031453 /nfs/dbraw/zinc/03/14/53/321031453.db2.gz DWEJZHIRBWSFST-DZGCQCFKSA-N 2 2 343.431 1.604 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000299585789 444086798 /nfs/dbraw/zinc/08/67/98/444086798.db2.gz ZHZZMNCAOYPQOK-HNNXBMFYSA-N 2 2 348.491 1.739 20 0 EDADLP C[C@H]1C[NH+](CCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000562579468 321064508 /nfs/dbraw/zinc/06/45/08/321064508.db2.gz BRWXMAREKFKFMC-HOTGVXAUSA-N 2 2 334.464 1.621 20 0 EDADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000563422475 321110611 /nfs/dbraw/zinc/11/06/11/321110611.db2.gz DOLIIETUIKTXJL-ROUUACIJSA-N 3 2 333.476 1.757 20 0 EDADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000564015484 321118996 /nfs/dbraw/zinc/11/89/96/321118996.db2.gz ZSFICMOQRZYXGO-RDJZCZTQSA-N 2 2 328.416 1.289 20 0 EDADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000564015484 321118998 /nfs/dbraw/zinc/11/89/98/321118998.db2.gz ZSFICMOQRZYXGO-RDJZCZTQSA-N 2 2 328.416 1.289 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000564434916 321131441 /nfs/dbraw/zinc/13/14/41/321131441.db2.gz VMUCSJLPIVYNML-FVQBIDKESA-N 2 2 334.468 1.069 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000564434916 321131442 /nfs/dbraw/zinc/13/14/42/321131442.db2.gz VMUCSJLPIVYNML-FVQBIDKESA-N 2 2 334.468 1.069 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)COc1ccc2c(c1)OCO2 ZINC000564444816 321131954 /nfs/dbraw/zinc/13/19/54/321131954.db2.gz SXIHRYYBUUEOIT-FVQBIDKESA-N 2 2 334.416 1.371 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)COc1ccc2c(c1)OCO2 ZINC000564444816 321131955 /nfs/dbraw/zinc/13/19/55/321131955.db2.gz SXIHRYYBUUEOIT-FVQBIDKESA-N 2 2 334.416 1.371 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nccn1-c1ccccc1 ZINC000564446536 321131963 /nfs/dbraw/zinc/13/19/63/321131963.db2.gz POBMPNXVXPSBBB-AEFFLSMTSA-N 2 2 343.475 1.131 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)O1 ZINC000564704870 321143155 /nfs/dbraw/zinc/14/31/55/321143155.db2.gz JNWMRIMAAYIKFR-OAGGEKHMSA-N 2 2 332.448 1.276 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000564818181 321149067 /nfs/dbraw/zinc/14/90/67/321149067.db2.gz MVXZKNYNFMJSGQ-UHFFFAOYSA-N 2 2 334.468 1.110 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000564853296 321151405 /nfs/dbraw/zinc/15/14/05/321151405.db2.gz ATRKWSANKRZAIT-KLHKWILBSA-N 2 2 342.480 1.029 20 0 EDADLP OC[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000564976139 321162540 /nfs/dbraw/zinc/16/25/40/321162540.db2.gz SHJLHVROVYLBHX-SQGPQFPESA-N 2 2 332.488 1.794 20 0 EDADLP OC[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000564976139 321162542 /nfs/dbraw/zinc/16/25/42/321162542.db2.gz SHJLHVROVYLBHX-SQGPQFPESA-N 2 2 332.488 1.794 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000564992707 321163446 /nfs/dbraw/zinc/16/34/46/321163446.db2.gz ISBFJOSYGNHNBY-JTTJXQCZSA-N 2 2 346.475 1.028 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000564992707 321163448 /nfs/dbraw/zinc/16/34/48/321163448.db2.gz ISBFJOSYGNHNBY-JTTJXQCZSA-N 2 2 346.475 1.028 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3c(C4CC4)nc4sccn34)CCN2C1=O ZINC000565608571 321193928 /nfs/dbraw/zinc/19/39/28/321193928.db2.gz HVNSNSUAOKPZHD-VXGBXAGGSA-N 2 2 331.445 1.017 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)CCN2C1=O ZINC000565608571 321193930 /nfs/dbraw/zinc/19/39/30/321193930.db2.gz HVNSNSUAOKPZHD-VXGBXAGGSA-N 2 2 331.445 1.017 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000565769326 321200277 /nfs/dbraw/zinc/20/02/77/321200277.db2.gz RRQSPZGEKADCRO-CYGHRXIMSA-N 2 2 331.460 1.533 20 0 EDADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Nc1cc(F)cc(F)c1 ZINC000566415863 321228966 /nfs/dbraw/zinc/22/89/66/321228966.db2.gz LGCUOXVEWCTQLK-UHFFFAOYSA-N 2 2 335.358 1.839 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000567734601 321256162 /nfs/dbraw/zinc/25/61/62/321256162.db2.gz QFFJHEXGNIDGIR-JKSUJKDBSA-N 2 2 347.459 1.344 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000567734601 321256164 /nfs/dbraw/zinc/25/61/64/321256164.db2.gz QFFJHEXGNIDGIR-JKSUJKDBSA-N 2 2 347.459 1.344 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CCCC[N@@H+]3CCO)cn21 ZINC000568205760 321281242 /nfs/dbraw/zinc/28/12/42/321281242.db2.gz LQIMZYOZIKIRDN-MRXNPFEDSA-N 2 2 345.447 1.289 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CCCC[N@H+]3CCO)cn21 ZINC000568205760 321281243 /nfs/dbraw/zinc/28/12/43/321281243.db2.gz LQIMZYOZIKIRDN-MRXNPFEDSA-N 2 2 345.447 1.289 20 0 EDADLP COc1cccc(C2(CNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])CC2)c1 ZINC000568855920 321309202 /nfs/dbraw/zinc/30/92/02/321309202.db2.gz IMZLCIQERMWSDQ-OAHLLOKOSA-N 2 2 332.448 1.011 20 0 EDADLP COc1cccc(C2(CNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])CC2)c1 ZINC000568855920 321309203 /nfs/dbraw/zinc/30/92/03/321309203.db2.gz IMZLCIQERMWSDQ-OAHLLOKOSA-N 2 2 332.448 1.011 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[NH2+]C(C)C)cc2)CC1 ZINC000569002457 321314741 /nfs/dbraw/zinc/31/47/41/321314741.db2.gz DXBPXRUTMQWQTK-UHFFFAOYSA-N 2 2 332.448 1.287 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000289303394 444102153 /nfs/dbraw/zinc/10/21/53/444102153.db2.gz REBASKUKXHUKMT-SFHVURJKSA-N 3 2 332.492 1.855 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000289303394 444102156 /nfs/dbraw/zinc/10/21/56/444102156.db2.gz REBASKUKXHUKMT-SFHVURJKSA-N 3 2 332.492 1.855 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570544866 321346820 /nfs/dbraw/zinc/34/68/20/321346820.db2.gz OJSYYSJBWOOHID-ZWKOTPCHSA-N 3 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570544866 321346822 /nfs/dbraw/zinc/34/68/22/321346822.db2.gz OJSYYSJBWOOHID-ZWKOTPCHSA-N 3 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1ccnc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570544866 321346824 /nfs/dbraw/zinc/34/68/24/321346824.db2.gz OJSYYSJBWOOHID-ZWKOTPCHSA-N 2 2 347.507 1.679 20 0 EDADLP CN(C(=O)Cn1ccnc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570544866 321346825 /nfs/dbraw/zinc/34/68/25/321346825.db2.gz OJSYYSJBWOOHID-ZWKOTPCHSA-N 2 2 347.507 1.679 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCn2cnc3ccccc32)C[C@@H](C)O1 ZINC000571551836 321391511 /nfs/dbraw/zinc/39/15/11/321391511.db2.gz VWMOPKNXVBSRLJ-BRWVUGGUSA-N 2 2 346.475 1.486 20 0 EDADLP C[NH+](C)[C@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)c1cccs1 ZINC000285805196 444113599 /nfs/dbraw/zinc/11/35/99/444113599.db2.gz FBDUDQQEVGQXMA-NWDGAFQWSA-N 2 2 333.417 1.237 20 0 EDADLP C[NH+](C)[C@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)c1cccs1 ZINC000285805196 444113601 /nfs/dbraw/zinc/11/36/01/444113601.db2.gz FBDUDQQEVGQXMA-NWDGAFQWSA-N 2 2 333.417 1.237 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000572225912 321421440 /nfs/dbraw/zinc/42/14/40/321421440.db2.gz ROEBKBIFSXENPT-HOCLYGCPSA-N 2 2 343.431 1.636 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000294930130 444159222 /nfs/dbraw/zinc/15/92/22/444159222.db2.gz DDRSAAFHRXBHEC-YJBOKZPZSA-N 2 2 331.460 1.187 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC(F)(F)C[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000574461402 321485137 /nfs/dbraw/zinc/48/51/37/321485137.db2.gz YBLZUFFBTZQVBT-TXEJJXNPSA-N 2 2 342.390 1.296 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc[nH+]cc1C(N)=O ZINC000302164411 444206759 /nfs/dbraw/zinc/20/67/59/444206759.db2.gz QRHKYJYTVXDRAV-HNNXBMFYSA-N 2 2 339.443 1.803 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289826240 444208744 /nfs/dbraw/zinc/20/87/44/444208744.db2.gz BAUUNNRINQTLJH-RDJZCZTQSA-N 2 2 329.444 1.200 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(C)c1 ZINC000575248344 321520662 /nfs/dbraw/zinc/52/06/62/321520662.db2.gz FAPPLXLZECBEOR-MRXNPFEDSA-N 2 2 332.448 1.632 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000301472041 444173997 /nfs/dbraw/zinc/17/39/97/444173997.db2.gz PUAPFKMMPRLWHN-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000289679105 444190099 /nfs/dbraw/zinc/19/00/99/444190099.db2.gz HNTZBVPVTVBBOW-CZUORRHYSA-N 2 2 339.867 1.516 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[N@@H+]3CCCC[C@H]3C2)nc[nH+]1 ZINC000302082465 444203483 /nfs/dbraw/zinc/20/34/83/444203483.db2.gz CRCZKGHWIHWNGM-HOTGVXAUSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[N@H+]3CCCC[C@H]3C2)nc[nH+]1 ZINC000302082465 444203486 /nfs/dbraw/zinc/20/34/86/444203486.db2.gz CRCZKGHWIHWNGM-HOTGVXAUSA-N 2 2 331.464 1.502 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000302095944 444203959 /nfs/dbraw/zinc/20/39/59/444203959.db2.gz OAKUWMTZRHFBGC-ZDUSSCGKSA-N 2 2 332.448 1.737 20 0 EDADLP COC(=O)CC[N@H+]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000302095944 444203961 /nfs/dbraw/zinc/20/39/61/444203961.db2.gz OAKUWMTZRHFBGC-ZDUSSCGKSA-N 2 2 332.448 1.737 20 0 EDADLP COC[C@H](O)C[NH+]1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000302103973 444204304 /nfs/dbraw/zinc/20/43/04/444204304.db2.gz RCWXGUNWJPMHFB-OAHLLOKOSA-N 2 2 334.464 1.547 20 0 EDADLP CC[NH+]1CCC(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000576483326 321571117 /nfs/dbraw/zinc/57/11/17/321571117.db2.gz PVDMBONWIQCPTO-UHFFFAOYSA-N 2 2 345.491 1.641 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296921167 444262935 /nfs/dbraw/zinc/26/29/35/444262935.db2.gz AMFIXSITYXIHLY-HNNXBMFYSA-N 2 2 335.452 1.030 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296921167 444262937 /nfs/dbraw/zinc/26/29/37/444262937.db2.gz AMFIXSITYXIHLY-HNNXBMFYSA-N 2 2 335.452 1.030 20 0 EDADLP CCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000297030476 444268578 /nfs/dbraw/zinc/26/85/78/444268578.db2.gz XKZQTZDDDSJTBW-WMLDXEAASA-N 2 2 331.468 1.513 20 0 EDADLP CCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)n1 ZINC000297030476 444268580 /nfs/dbraw/zinc/26/85/80/444268580.db2.gz XKZQTZDDDSJTBW-WMLDXEAASA-N 2 2 331.468 1.513 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@H](O)[C@H]3C)CC2)c1 ZINC000296395935 444226192 /nfs/dbraw/zinc/22/61/92/444226192.db2.gz ULRQKSPBQOPEDK-MJGOQNOKSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@H](O)[C@H]3C)CC2)c1 ZINC000296395935 444226195 /nfs/dbraw/zinc/22/61/95/444226195.db2.gz ULRQKSPBQOPEDK-MJGOQNOKSA-N 2 2 345.487 1.484 20 0 EDADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997080 444228702 /nfs/dbraw/zinc/22/87/02/444228702.db2.gz YTFMBHZREURNKO-WMLDXEAASA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289997080 444228704 /nfs/dbraw/zinc/22/87/04/444228704.db2.gz YTFMBHZREURNKO-WMLDXEAASA-N 2 2 337.489 1.785 20 0 EDADLP Cc1cccc(C(=O)N2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000290020261 444231504 /nfs/dbraw/zinc/23/15/04/444231504.db2.gz PHVGDSUWQRPUQZ-LJQANCHMSA-N 2 2 345.487 1.598 20 0 EDADLP Cc1cccc(C(=O)N2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000290020261 444231506 /nfs/dbraw/zinc/23/15/06/444231506.db2.gz PHVGDSUWQRPUQZ-LJQANCHMSA-N 2 2 345.487 1.598 20 0 EDADLP Cc1cccc(C(=O)N2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)CC2)c1 ZINC000290020261 444231509 /nfs/dbraw/zinc/23/15/09/444231509.db2.gz PHVGDSUWQRPUQZ-LJQANCHMSA-N 2 2 345.487 1.598 20 0 EDADLP Cc1cccc(C(=O)N2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)CC2)c1 ZINC000290020261 444231510 /nfs/dbraw/zinc/23/15/10/444231510.db2.gz PHVGDSUWQRPUQZ-LJQANCHMSA-N 2 2 345.487 1.598 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000297654945 444314368 /nfs/dbraw/zinc/31/43/68/444314368.db2.gz UORLEYGGVNPDDE-UKRRQHHQSA-N 2 2 348.472 1.831 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000297654945 444314370 /nfs/dbraw/zinc/31/43/70/444314370.db2.gz UORLEYGGVNPDDE-UKRRQHHQSA-N 2 2 348.472 1.831 20 0 EDADLP c1nn(-c2cc[nH+]cc2)cc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000297692416 444319420 /nfs/dbraw/zinc/31/94/20/444319420.db2.gz LYUKHQWOTHFJAC-OAHLLOKOSA-N 2 2 338.371 1.853 20 0 EDADLP c1nn(-c2cc[nH+]cc2)cc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000297692416 444319423 /nfs/dbraw/zinc/31/94/23/444319423.db2.gz LYUKHQWOTHFJAC-OAHLLOKOSA-N 2 2 338.371 1.853 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000290768065 444320809 /nfs/dbraw/zinc/32/08/09/444320809.db2.gz PKYMKZVFFCRPCV-HNNXBMFYSA-N 2 2 329.448 1.138 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000290768065 444320812 /nfs/dbraw/zinc/32/08/12/444320812.db2.gz PKYMKZVFFCRPCV-HNNXBMFYSA-N 2 2 329.448 1.138 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)[C@@H](C)C1 ZINC000305768818 444279632 /nfs/dbraw/zinc/27/96/32/444279632.db2.gz LDJBGYJPNLVBAB-MJBXVCDLSA-N 2 2 346.518 1.203 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)[C@@H](C)C1 ZINC000305768818 444279633 /nfs/dbraw/zinc/27/96/33/444279633.db2.gz LDJBGYJPNLVBAB-MJBXVCDLSA-N 2 2 346.518 1.203 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000321792627 444337464 /nfs/dbraw/zinc/33/74/64/444337464.db2.gz VOZHTQAIEDDIAB-NSHDSACASA-N 2 2 332.326 1.692 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000321792627 444337466 /nfs/dbraw/zinc/33/74/66/444337466.db2.gz VOZHTQAIEDDIAB-NSHDSACASA-N 2 2 332.326 1.692 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCN2CCN(c3ccccc3)CC2)n1C ZINC000578422246 321771374 /nfs/dbraw/zinc/77/13/74/321771374.db2.gz DZWKAHPLPGQBPC-UHFFFAOYSA-N 2 2 342.491 1.398 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+](CCO)CC1 ZINC000298118502 444420626 /nfs/dbraw/zinc/42/06/26/444420626.db2.gz SGDHMFVPKUHZNU-ZZXKWVIFSA-N 2 2 326.400 1.022 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000340520769 444423055 /nfs/dbraw/zinc/42/30/55/444423055.db2.gz XTSDCTMRQXHFLZ-QGZVFWFLSA-N 2 2 335.496 1.929 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340476473 444393261 /nfs/dbraw/zinc/39/32/61/444393261.db2.gz QNCYSAOSRCAWBC-DGCLKSJQSA-N 2 2 340.265 1.826 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000340476473 444393267 /nfs/dbraw/zinc/39/32/67/444393267.db2.gz QNCYSAOSRCAWBC-DGCLKSJQSA-N 2 2 340.265 1.826 20 0 EDADLP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000337825865 444425605 /nfs/dbraw/zinc/42/56/05/444425605.db2.gz XHWFKGDICYSLAB-GFCCVEGCSA-N 2 2 347.385 1.977 20 0 EDADLP CC[N@H+]1CCC[C@H](CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000337825865 444425607 /nfs/dbraw/zinc/42/56/07/444425607.db2.gz XHWFKGDICYSLAB-GFCCVEGCSA-N 2 2 347.385 1.977 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCCn2cc[nH+]c2)n1 ZINC000328627075 444400778 /nfs/dbraw/zinc/40/07/78/444400778.db2.gz FUDJBOQYKOJYKO-ZBFHGGJFSA-N 2 2 330.436 2.401 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000579124341 321888140 /nfs/dbraw/zinc/88/81/40/321888140.db2.gz LXSHAYGJNOHHIS-KSSFIOAISA-N 2 2 334.464 1.710 20 0 EDADLP Cc1cccn2c(C[NH2+][C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)c[nH+]c12 ZINC000329185653 444494964 /nfs/dbraw/zinc/49/49/64/444494964.db2.gz ANRMXQITTKRXSH-RHSMWYFYSA-N 2 2 349.456 1.469 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000580053226 322002106 /nfs/dbraw/zinc/00/21/06/322002106.db2.gz IVPFPENHBITRSM-GOSISDBHSA-N 3 2 345.491 1.067 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000580053226 322002108 /nfs/dbraw/zinc/00/21/08/322002108.db2.gz IVPFPENHBITRSM-GOSISDBHSA-N 3 2 345.491 1.067 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000580422922 322048891 /nfs/dbraw/zinc/04/88/91/322048891.db2.gz VQXDDOJUOUKPBN-FQEVSTJZSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000580422922 322048893 /nfs/dbraw/zinc/04/88/93/322048893.db2.gz VQXDDOJUOUKPBN-FQEVSTJZSA-N 2 2 345.487 1.874 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCSc3ccc(F)cc32)[C@H](C[NH3+])C1 ZINC000580703858 322084522 /nfs/dbraw/zinc/08/45/22/322084522.db2.gz OJRQZIDRWLPRJR-OCCSQVGLSA-N 2 2 338.452 1.647 20 0 EDADLP CCNc1nc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)nc(NC(C)(C)C)[nH+]1 ZINC000580846113 322103812 /nfs/dbraw/zinc/10/38/12/322103812.db2.gz DREYXZBBELNMGX-SFHVURJKSA-N 2 2 347.511 1.858 20 0 EDADLP CCNc1nc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)nc(NC(C)(C)C)[nH+]1 ZINC000580846113 322103815 /nfs/dbraw/zinc/10/38/15/322103815.db2.gz DREYXZBBELNMGX-SFHVURJKSA-N 2 2 347.511 1.858 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)[nH+]1 ZINC000580846113 322103818 /nfs/dbraw/zinc/10/38/18/322103818.db2.gz DREYXZBBELNMGX-SFHVURJKSA-N 2 2 347.511 1.858 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[nH+]1 ZINC000580846113 322103821 /nfs/dbraw/zinc/10/38/21/322103821.db2.gz DREYXZBBELNMGX-SFHVURJKSA-N 2 2 347.511 1.858 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000580846113 322103823 /nfs/dbraw/zinc/10/38/23/322103823.db2.gz DREYXZBBELNMGX-SFHVURJKSA-N 2 2 347.511 1.858 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000580846113 322103825 /nfs/dbraw/zinc/10/38/25/322103825.db2.gz DREYXZBBELNMGX-SFHVURJKSA-N 2 2 347.511 1.858 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873131 322105775 /nfs/dbraw/zinc/10/57/75/322105775.db2.gz QDJGWJCXJWLPKK-YRPNKDGESA-N 3 2 329.488 1.838 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873131 322105776 /nfs/dbraw/zinc/10/57/76/322105776.db2.gz QDJGWJCXJWLPKK-YRPNKDGESA-N 3 2 329.488 1.838 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000580873131 322105777 /nfs/dbraw/zinc/10/57/77/322105777.db2.gz QDJGWJCXJWLPKK-YRPNKDGESA-N 3 2 329.488 1.838 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000580873131 322105778 /nfs/dbraw/zinc/10/57/78/322105778.db2.gz QDJGWJCXJWLPKK-YRPNKDGESA-N 3 2 329.488 1.838 20 0 EDADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000580889293 322108179 /nfs/dbraw/zinc/10/81/79/322108179.db2.gz WHUYBRJSRDRQAR-YJBOKZPZSA-N 2 2 333.476 1.293 20 0 EDADLP C[C@@H]1CC(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000580888049 322108318 /nfs/dbraw/zinc/10/83/18/322108318.db2.gz FAYGTNSBXVUPOY-JLOCXQCDSA-N 2 2 328.497 1.640 20 0 EDADLP C[C@@H]1CC(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000580888049 322108321 /nfs/dbraw/zinc/10/83/21/322108321.db2.gz FAYGTNSBXVUPOY-JLOCXQCDSA-N 2 2 328.497 1.640 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)[C@@H](C[NH3+])C1 ZINC000581238468 322152924 /nfs/dbraw/zinc/15/29/24/322152924.db2.gz FHLUWQUPPDMNJN-LBPRGKRZSA-N 2 2 348.838 1.632 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)[C@@H](C[NH3+])C1 ZINC000581238468 322152925 /nfs/dbraw/zinc/15/29/25/322152925.db2.gz FHLUWQUPPDMNJN-LBPRGKRZSA-N 2 2 348.838 1.632 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)[nH+]c12 ZINC000581239490 322152931 /nfs/dbraw/zinc/15/29/31/322152931.db2.gz APDATJNYOQMTDA-LSDHHAIUSA-N 2 2 330.432 1.099 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@H](C)[N@H+](CCO)C[C@H]3C)[nH+]c12 ZINC000581239490 322152932 /nfs/dbraw/zinc/15/29/32/322152932.db2.gz APDATJNYOQMTDA-LSDHHAIUSA-N 2 2 330.432 1.099 20 0 EDADLP Cc1nc(C)c(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000581305614 322161497 /nfs/dbraw/zinc/16/14/97/322161497.db2.gz PRGQEGBWWWJRTA-JMSVASOKSA-N 2 2 327.494 1.362 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCCc3c(F)cccc3Cl)CCN2C1=O ZINC000582014189 322245547 /nfs/dbraw/zinc/24/55/47/322245547.db2.gz KACYDOJCTVGYNK-NHYWBVRUSA-N 2 2 325.815 1.656 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCCc3c(F)cccc3Cl)CCN2C1=O ZINC000582014189 322245549 /nfs/dbraw/zinc/24/55/49/322245549.db2.gz KACYDOJCTVGYNK-NHYWBVRUSA-N 2 2 325.815 1.656 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000332415586 444514310 /nfs/dbraw/zinc/51/43/10/444514310.db2.gz LYSJTZNXSBWWHZ-FXUDXRNXSA-N 2 2 347.463 1.021 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000342135881 444527444 /nfs/dbraw/zinc/52/74/44/444527444.db2.gz QNGSMVZKHVWJHJ-UHFFFAOYSA-N 3 2 330.476 1.370 20 0 EDADLP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000343705275 444533119 /nfs/dbraw/zinc/53/31/19/444533119.db2.gz BWNBZTVDMBYVAH-PBHICJAKSA-N 2 2 339.505 1.755 20 0 EDADLP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000343705275 444533122 /nfs/dbraw/zinc/53/31/22/444533122.db2.gz BWNBZTVDMBYVAH-PBHICJAKSA-N 2 2 339.505 1.755 20 0 EDADLP Cc1cnc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)nc1 ZINC000340835896 444534467 /nfs/dbraw/zinc/53/44/67/444534467.db2.gz AYRXVDQCQKZZGM-UHFFFAOYSA-N 2 2 347.507 1.701 20 0 EDADLP O[C@@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCC1 ZINC000338193910 444557715 /nfs/dbraw/zinc/55/77/15/444557715.db2.gz KKGZNOSPFBCVDR-RBUKOAKNSA-N 2 2 326.444 1.807 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332816271 444562158 /nfs/dbraw/zinc/56/21/58/444562158.db2.gz FUFUIEWHYWDQGZ-HOCLYGCPSA-N 2 2 347.463 1.224 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338217967 444569243 /nfs/dbraw/zinc/56/92/43/444569243.db2.gz IZJGKRHTQFWWOS-MRXNPFEDSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338217967 444569244 /nfs/dbraw/zinc/56/92/44/444569244.db2.gz IZJGKRHTQFWWOS-MRXNPFEDSA-N 2 2 325.497 1.581 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343763198 444573578 /nfs/dbraw/zinc/57/35/78/444573578.db2.gz GXDHKYOILRIEAP-MQVJKMGUSA-N 2 2 342.443 1.113 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1O ZINC000341013696 444631948 /nfs/dbraw/zinc/63/19/48/444631948.db2.gz PONKHIDFAXDBSO-CVEARBPZSA-N 2 2 337.489 1.095 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1O ZINC000341013696 444631954 /nfs/dbraw/zinc/63/19/54/444631954.db2.gz PONKHIDFAXDBSO-CVEARBPZSA-N 2 2 337.489 1.095 20 0 EDADLP CCN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332954986 444609766 /nfs/dbraw/zinc/60/97/66/444609766.db2.gz HYSZATLUDQGZBL-DZGCQCFKSA-N 2 2 332.452 1.035 20 0 EDADLP CCN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332954986 444609769 /nfs/dbraw/zinc/60/97/69/444609769.db2.gz HYSZATLUDQGZBL-DZGCQCFKSA-N 2 2 332.452 1.035 20 0 EDADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccncc1F ZINC000338359383 444654856 /nfs/dbraw/zinc/65/48/56/444654856.db2.gz VHZFIUNMVNJTDS-ZDUSSCGKSA-N 2 2 338.427 1.098 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333850613 444703016 /nfs/dbraw/zinc/70/30/16/444703016.db2.gz XEEAQIWAHANBFY-CKEIUWERSA-N 2 2 331.464 1.831 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333850613 444703019 /nfs/dbraw/zinc/70/30/19/444703019.db2.gz XEEAQIWAHANBFY-CKEIUWERSA-N 2 2 331.464 1.831 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342475794 444707835 /nfs/dbraw/zinc/70/78/35/444707835.db2.gz XONCIKDRTXSKDM-WFFDWFOESA-N 2 2 335.492 1.713 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342475794 444707836 /nfs/dbraw/zinc/70/78/36/444707836.db2.gz XONCIKDRTXSKDM-WFFDWFOESA-N 2 2 335.492 1.713 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000342475794 444707840 /nfs/dbraw/zinc/70/78/40/444707840.db2.gz XONCIKDRTXSKDM-WFFDWFOESA-N 2 2 335.492 1.713 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000342475794 444707843 /nfs/dbraw/zinc/70/78/43/444707843.db2.gz XONCIKDRTXSKDM-WFFDWFOESA-N 2 2 335.492 1.713 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343995477 444715980 /nfs/dbraw/zinc/71/59/80/444715980.db2.gz YUYYZBRMHGECJH-SQNIBIBYSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343995477 444715982 /nfs/dbraw/zinc/71/59/82/444715982.db2.gz YUYYZBRMHGECJH-SQNIBIBYSA-N 2 2 336.524 1.345 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)[nH+]c2c1 ZINC000333948298 444727162 /nfs/dbraw/zinc/72/71/62/444727162.db2.gz WEXAJBWXSGEIBH-RRFJBIMHSA-N 2 2 327.432 1.830 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000341123070 444684532 /nfs/dbraw/zinc/68/45/32/444684532.db2.gz KRFPNSFJDZMHRP-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000341123070 444684534 /nfs/dbraw/zinc/68/45/34/444684534.db2.gz KRFPNSFJDZMHRP-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000341123070 444684538 /nfs/dbraw/zinc/68/45/38/444684538.db2.gz KRFPNSFJDZMHRP-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000341123070 444684539 /nfs/dbraw/zinc/68/45/39/444684539.db2.gz KRFPNSFJDZMHRP-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000341135616 444691904 /nfs/dbraw/zinc/69/19/04/444691904.db2.gz KTRJNRQCILFMDH-MRXNPFEDSA-N 2 2 328.416 1.325 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000341135616 444691905 /nfs/dbraw/zinc/69/19/05/444691905.db2.gz KTRJNRQCILFMDH-MRXNPFEDSA-N 2 2 328.416 1.325 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)C1 ZINC000334109275 444783256 /nfs/dbraw/zinc/78/32/56/444783256.db2.gz AIUHIAHFGWSUIZ-CQSZACIVSA-N 2 2 337.493 1.373 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)C1 ZINC000334109275 444783261 /nfs/dbraw/zinc/78/32/61/444783261.db2.gz AIUHIAHFGWSUIZ-CQSZACIVSA-N 2 2 337.493 1.373 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000344033705 444740988 /nfs/dbraw/zinc/74/09/88/444740988.db2.gz LXTYQTXUYXXEAD-UHFFFAOYSA-N 2 2 349.475 1.815 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000344033705 444740994 /nfs/dbraw/zinc/74/09/94/444740994.db2.gz LXTYQTXUYXXEAD-UHFFFAOYSA-N 2 2 349.475 1.815 20 0 EDADLP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000338569687 444749506 /nfs/dbraw/zinc/74/95/06/444749506.db2.gz LIOCZGYFGOGPJM-HOTGVXAUSA-N 2 2 325.497 1.534 20 0 EDADLP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000338569687 444749508 /nfs/dbraw/zinc/74/95/08/444749508.db2.gz LIOCZGYFGOGPJM-HOTGVXAUSA-N 2 2 325.497 1.534 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000334050229 444762144 /nfs/dbraw/zinc/76/21/44/444762144.db2.gz WBZVEXAMONREEW-HUUCEWRRSA-N 2 2 338.496 1.807 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000334050229 444762145 /nfs/dbraw/zinc/76/21/45/444762145.db2.gz WBZVEXAMONREEW-HUUCEWRRSA-N 2 2 338.496 1.807 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000334050229 444762146 /nfs/dbraw/zinc/76/21/46/444762146.db2.gz WBZVEXAMONREEW-HUUCEWRRSA-N 2 2 338.496 1.807 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000334050229 444762147 /nfs/dbraw/zinc/76/21/47/444762147.db2.gz WBZVEXAMONREEW-HUUCEWRRSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000334051324 444763109 /nfs/dbraw/zinc/76/31/09/444763109.db2.gz JHPGCDLEUPWDCD-GXTWGEPZSA-N 2 2 334.420 1.548 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000334051324 444763111 /nfs/dbraw/zinc/76/31/11/444763111.db2.gz JHPGCDLEUPWDCD-GXTWGEPZSA-N 2 2 334.420 1.548 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)Cc1[nH+]ccn1C ZINC000330003067 444806932 /nfs/dbraw/zinc/80/69/32/444806932.db2.gz ZJUBRLRSWHQNEV-UHFFFAOYSA-N 2 2 327.392 1.228 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342700692 444822758 /nfs/dbraw/zinc/82/27/58/444822758.db2.gz YAWDNQVLSKZKHR-AWEZNQCLSA-N 2 2 338.402 1.933 20 0 EDADLP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)nc(C2CC2)[nH+]1 ZINC000341473198 444849728 /nfs/dbraw/zinc/84/97/28/444849728.db2.gz HZNZCMKKDTVLSM-UHFFFAOYSA-N 2 2 338.459 2.421 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000338978288 444966511 /nfs/dbraw/zinc/96/65/11/444966511.db2.gz PRQSOJHDQUEAPL-QGZVFWFLSA-N 2 2 332.423 1.280 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000337283313 445015508 /nfs/dbraw/zinc/01/55/08/445015508.db2.gz KIOXRWBRMIZCSJ-OAHLLOKOSA-N 2 2 334.489 1.476 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000344547035 445050890 /nfs/dbraw/zinc/05/08/90/445050890.db2.gz ZGGSVCOXMJFJJC-IBGZPJMESA-N 2 2 341.459 1.269 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000344547035 445050897 /nfs/dbraw/zinc/05/08/97/445050897.db2.gz ZGGSVCOXMJFJJC-IBGZPJMESA-N 2 2 341.459 1.269 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3c[nH]nc32)CC1 ZINC000619176611 450421485 /nfs/dbraw/zinc/42/14/85/450421485.db2.gz GREYFPDQYHPCFB-UHFFFAOYSA-N 2 2 336.399 1.962 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3cn[nH]c32)CC1 ZINC000619176611 450421488 /nfs/dbraw/zinc/42/14/88/450421488.db2.gz GREYFPDQYHPCFB-UHFFFAOYSA-N 2 2 336.399 1.962 20 0 EDADLP Cc1cc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000337438531 445080880 /nfs/dbraw/zinc/08/08/80/445080880.db2.gz ITCKJVYNSQFLFE-OAHLLOKOSA-N 2 2 343.431 1.768 20 0 EDADLP CO[C@@H]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000341855979 445036413 /nfs/dbraw/zinc/03/64/13/445036413.db2.gz UQZWMUKPUALRJZ-GDBMZVCRSA-N 2 2 326.485 1.127 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000344697561 445132938 /nfs/dbraw/zinc/13/29/38/445132938.db2.gz LJICMFXQMRYGDY-NVXWUHKLSA-N 3 2 338.540 1.543 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000344697561 445132942 /nfs/dbraw/zinc/13/29/42/445132942.db2.gz LJICMFXQMRYGDY-NVXWUHKLSA-N 3 2 338.540 1.543 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337562794 445138754 /nfs/dbraw/zinc/13/87/54/445138754.db2.gz ULXLAWGWUFSEOF-HOCLYGCPSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337562794 445138760 /nfs/dbraw/zinc/13/87/60/445138760.db2.gz ULXLAWGWUFSEOF-HOCLYGCPSA-N 2 2 331.464 1.688 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cnn(C2CCCC2)c1 ZINC000337518034 445115875 /nfs/dbraw/zinc/11/58/75/445115875.db2.gz NJWXGSQKRKBHOL-YOEHRIQHSA-N 2 2 333.480 1.989 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnn(C2CCCC2)c1 ZINC000337518034 445115879 /nfs/dbraw/zinc/11/58/79/445115879.db2.gz NJWXGSQKRKBHOL-YOEHRIQHSA-N 2 2 333.480 1.989 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)c1 ZINC000339270450 445127245 /nfs/dbraw/zinc/12/72/45/445127245.db2.gz NDNMAARZAGNEBZ-UHFFFAOYSA-N 2 2 330.432 1.944 20 0 EDADLP CO[C@@H]1CCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000342019656 445127410 /nfs/dbraw/zinc/12/74/10/445127410.db2.gz ZHPRGVJJGDWKBT-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP CO[C@@H]1CCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000342019656 445127412 /nfs/dbraw/zinc/12/74/12/445127412.db2.gz ZHPRGVJJGDWKBT-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000339271261 445128581 /nfs/dbraw/zinc/12/85/81/445128581.db2.gz QUYFOAXKLQPTSD-QGZVFWFLSA-N 2 2 349.479 1.036 20 0 EDADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000339271261 445128583 /nfs/dbraw/zinc/12/85/83/445128583.db2.gz QUYFOAXKLQPTSD-QGZVFWFLSA-N 2 2 349.479 1.036 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@H]1C[C@@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000337607996 445165043 /nfs/dbraw/zinc/16/50/43/445165043.db2.gz SQUCEOCWIUSNJU-HUUCEWRRSA-N 2 2 340.443 1.696 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@H]1C[C@@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000337607996 445165047 /nfs/dbraw/zinc/16/50/47/445165047.db2.gz SQUCEOCWIUSNJU-HUUCEWRRSA-N 2 2 340.443 1.696 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000343262192 445166440 /nfs/dbraw/zinc/16/64/40/445166440.db2.gz WZUMJUOXUIVYKY-QGZVFWFLSA-N 2 2 333.501 1.941 20 0 EDADLP CC(C)(C)NC(=O)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337619618 445171972 /nfs/dbraw/zinc/17/19/72/445171972.db2.gz QDLZYHSJTRAVBY-UHFFFAOYSA-N 2 2 339.403 1.927 20 0 EDADLP COc1ccccc1[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000337572150 445144639 /nfs/dbraw/zinc/14/46/39/445144639.db2.gz DIUDWDPNDVGMEU-GOEBONIOSA-N 2 2 349.500 1.605 20 0 EDADLP COc1ccccc1[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC[NH2+]1 ZINC000337572150 445144640 /nfs/dbraw/zinc/14/46/40/445144640.db2.gz DIUDWDPNDVGMEU-GOEBONIOSA-N 2 2 349.500 1.605 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344922630 445149802 /nfs/dbraw/zinc/14/98/02/445149802.db2.gz SBQUIILXBVQFEU-RYQLBKOJSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000343429128 445221393 /nfs/dbraw/zinc/22/13/93/445221393.db2.gz FOMRJIXCJWXMIZ-MAUKXSAKSA-N 2 2 330.476 1.114 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1c(F)cccc1N1CCCC1 ZINC000347131442 445232484 /nfs/dbraw/zinc/23/24/84/445232484.db2.gz RBKMQAPPQBJIFY-UHFFFAOYSA-N 2 2 334.439 1.290 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1c(F)cccc1N1CCCC1 ZINC000347131442 445232485 /nfs/dbraw/zinc/23/24/85/445232485.db2.gz RBKMQAPPQBJIFY-UHFFFAOYSA-N 2 2 334.439 1.290 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343492260 445233488 /nfs/dbraw/zinc/23/34/88/445233488.db2.gz GVCXZVKGGCODBG-YJBOKZPZSA-N 2 2 346.475 1.326 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343492260 445233489 /nfs/dbraw/zinc/23/34/89/445233489.db2.gz GVCXZVKGGCODBG-YJBOKZPZSA-N 2 2 346.475 1.326 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348343812 445262707 /nfs/dbraw/zinc/26/27/07/445262707.db2.gz DTIFTPHLRSCAFH-TYNCELHUSA-N 2 2 341.415 1.660 20 0 EDADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348173483 445303696 /nfs/dbraw/zinc/30/36/96/445303696.db2.gz MTPKTHSYZWSRAS-OLZOCXBDSA-N 2 2 341.477 1.747 20 0 EDADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348173483 445303699 /nfs/dbraw/zinc/30/36/99/445303699.db2.gz MTPKTHSYZWSRAS-OLZOCXBDSA-N 2 2 341.477 1.747 20 0 EDADLP CCC[C@]1(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCOC1 ZINC000354620170 445318109 /nfs/dbraw/zinc/31/81/09/445318109.db2.gz BBYVLALJFIQRFY-KRWDZBQOSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cc(C)n(CC[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000348113855 445274326 /nfs/dbraw/zinc/27/43/26/445274326.db2.gz HDUREJBWJSYVOP-DLBZAZTESA-N 2 2 348.470 1.778 20 0 EDADLP Cc1cc(C)n(CC[N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000348113855 445274330 /nfs/dbraw/zinc/27/43/30/445274330.db2.gz HDUREJBWJSYVOP-DLBZAZTESA-N 2 2 348.470 1.778 20 0 EDADLP Cc1nn(C)c(C)c1C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348124100 445280359 /nfs/dbraw/zinc/28/03/59/445280359.db2.gz SWRHDHDSFMZSBV-HZPDHXFCSA-N 2 2 348.470 1.815 20 0 EDADLP Cc1nn(C)c(C)c1C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348124100 445280363 /nfs/dbraw/zinc/28/03/63/445280363.db2.gz SWRHDHDSFMZSBV-HZPDHXFCSA-N 2 2 348.470 1.815 20 0 EDADLP COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000348253897 445328834 /nfs/dbraw/zinc/32/88/34/445328834.db2.gz AOXCMTQJKSLZTM-JSGCOSHPSA-N 2 2 342.399 1.899 20 0 EDADLP COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000348253897 445328835 /nfs/dbraw/zinc/32/88/35/445328835.db2.gz AOXCMTQJKSLZTM-JSGCOSHPSA-N 2 2 342.399 1.899 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357068202 445405063 /nfs/dbraw/zinc/40/50/63/445405063.db2.gz DLYHFFKTKSJUPF-KURKYZTESA-N 2 2 342.487 1.265 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357068202 445405066 /nfs/dbraw/zinc/40/50/66/445405066.db2.gz DLYHFFKTKSJUPF-KURKYZTESA-N 2 2 342.487 1.265 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357090212 445421262 /nfs/dbraw/zinc/42/12/62/445421262.db2.gz ZXOGGRFAQBLHLK-HZSPNIEDSA-N 2 2 337.414 1.553 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357090212 445421265 /nfs/dbraw/zinc/42/12/65/445421265.db2.gz ZXOGGRFAQBLHLK-HZSPNIEDSA-N 2 2 337.414 1.553 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)[nH]1 ZINC000354854446 445427190 /nfs/dbraw/zinc/42/71/90/445427190.db2.gz PTUWSBJMPFREGS-GXTWGEPZSA-N 2 2 349.410 1.237 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCCC1 ZINC000362442570 445383907 /nfs/dbraw/zinc/38/39/07/445383907.db2.gz VNSRIYQSYKERBQ-MRXNPFEDSA-N 2 2 349.479 1.085 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCCC1 ZINC000362442570 445383912 /nfs/dbraw/zinc/38/39/12/445383912.db2.gz VNSRIYQSYKERBQ-MRXNPFEDSA-N 2 2 349.479 1.085 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351951548 445396011 /nfs/dbraw/zinc/39/60/11/445396011.db2.gz LJPHTALHMUQKSV-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351951548 445396016 /nfs/dbraw/zinc/39/60/16/445396016.db2.gz LJPHTALHMUQKSV-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP COc1cc(C)nc(C[NH2+]C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000354874312 445430777 /nfs/dbraw/zinc/43/07/77/445430777.db2.gz UZFXVAFNTOQGDU-GDBMZVCRSA-N 2 2 347.438 1.834 20 0 EDADLP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[NH+](CC)CC ZINC000359796241 445432405 /nfs/dbraw/zinc/43/24/05/445432405.db2.gz NISMDPOQOUFUMD-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CC[C@@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[NH+](CC)CC ZINC000359813728 445441321 /nfs/dbraw/zinc/44/13/21/445441321.db2.gz VETZSYDSDFESCI-LBPRGKRZSA-N 2 2 325.457 1.603 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)C[C@H]1C ZINC000357263007 445514625 /nfs/dbraw/zinc/51/46/25/445514625.db2.gz SRLHDFPLNRVJDE-HUUCEWRRSA-N 2 2 349.479 1.096 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)C[C@H]1C ZINC000357263007 445514629 /nfs/dbraw/zinc/51/46/29/445514629.db2.gz SRLHDFPLNRVJDE-HUUCEWRRSA-N 2 2 349.479 1.096 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc(OC)c1 ZINC000362664553 445486623 /nfs/dbraw/zinc/48/66/23/445486623.db2.gz MQBWNCRERUZVSR-HNNXBMFYSA-N 2 2 333.432 1.100 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc(OC)c1 ZINC000362664553 445486625 /nfs/dbraw/zinc/48/66/25/445486625.db2.gz MQBWNCRERUZVSR-HNNXBMFYSA-N 2 2 333.432 1.100 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[N@H+](C)Cc1ccccc1 ZINC000355935781 445535606 /nfs/dbraw/zinc/53/56/06/445535606.db2.gz JGTPBXOWDUHXHG-AEFFLSMTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355935781 445535610 /nfs/dbraw/zinc/53/56/10/445535610.db2.gz JGTPBXOWDUHXHG-AEFFLSMTSA-N 2 2 333.476 1.422 20 0 EDADLP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000362689053 445501050 /nfs/dbraw/zinc/50/10/50/445501050.db2.gz DAODSLNFDXFJBH-CQSZACIVSA-N 2 2 336.505 1.738 20 0 EDADLP CC(C)Cc1ncc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000362689053 445501054 /nfs/dbraw/zinc/50/10/54/445501054.db2.gz DAODSLNFDXFJBH-CQSZACIVSA-N 2 2 336.505 1.738 20 0 EDADLP COC(=O)C[C@@](C)([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000352114677 445501710 /nfs/dbraw/zinc/50/17/10/445501710.db2.gz BSLYNJUOCQKLQB-FUHWJXTLSA-N 2 2 338.423 1.649 20 0 EDADLP COC(=O)C[C@@](C)([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000352114677 445501713 /nfs/dbraw/zinc/50/17/13/445501713.db2.gz BSLYNJUOCQKLQB-FUHWJXTLSA-N 2 2 338.423 1.649 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000359952533 445502408 /nfs/dbraw/zinc/50/24/08/445502408.db2.gz NHVQPBREBQZNAX-OCCSQVGLSA-N 2 2 341.415 1.476 20 0 EDADLP COC(=O)CCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000359954426 445502726 /nfs/dbraw/zinc/50/27/26/445502726.db2.gz NCHBUDQYRKVBNF-UHFFFAOYSA-N 2 2 325.453 1.005 20 0 EDADLP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362824966 445566778 /nfs/dbraw/zinc/56/67/78/445566778.db2.gz DBASLDOHXOCZQD-QWHCGFSZSA-N 2 2 335.452 1.324 20 0 EDADLP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362824966 445566782 /nfs/dbraw/zinc/56/67/82/445566782.db2.gz DBASLDOHXOCZQD-QWHCGFSZSA-N 2 2 335.452 1.324 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@@H+]1C ZINC000362856721 445582868 /nfs/dbraw/zinc/58/28/68/445582868.db2.gz SLACZNSIXRYWTG-LBPRGKRZSA-N 2 2 347.385 1.927 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@H+]1C ZINC000362856721 445582871 /nfs/dbraw/zinc/58/28/71/445582871.db2.gz SLACZNSIXRYWTG-LBPRGKRZSA-N 2 2 347.385 1.927 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000362916653 445608502 /nfs/dbraw/zinc/60/85/02/445608502.db2.gz CAXLNJDASUCRMM-DOTOQJQBSA-N 2 2 347.507 1.431 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000358277703 445615320 /nfs/dbraw/zinc/61/53/20/445615320.db2.gz PZLBUBPBGAMXLE-GVDBMIGSSA-N 2 2 338.496 1.365 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000353470211 445615946 /nfs/dbraw/zinc/61/59/46/445615946.db2.gz JEPGDORRJTVEAZ-INIZCTEOSA-N 2 2 349.475 1.696 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000353470211 445615951 /nfs/dbraw/zinc/61/59/51/445615951.db2.gz JEPGDORRJTVEAZ-INIZCTEOSA-N 2 2 349.475 1.696 20 0 EDADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000362941413 445619029 /nfs/dbraw/zinc/61/90/29/445619029.db2.gz JYGQXJCXQHWPJY-SJLPKXTDSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000362941413 445619032 /nfs/dbraw/zinc/61/90/32/445619032.db2.gz JYGQXJCXQHWPJY-SJLPKXTDSA-N 2 2 336.524 1.536 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000362944696 445621529 /nfs/dbraw/zinc/62/15/29/445621529.db2.gz HSDADMOVQBILDY-MRXNPFEDSA-N 2 2 349.479 1.513 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC1(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)COC1 ZINC000360213799 445633404 /nfs/dbraw/zinc/63/34/04/445633404.db2.gz RCXYRHDZUHWLPI-TVFCKZIOSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC1(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)COC1 ZINC000360213799 445633407 /nfs/dbraw/zinc/63/34/07/445633407.db2.gz RCXYRHDZUHWLPI-TVFCKZIOSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC1(C[NH+]2CCN(C)[C@H](C)[C@@H]2C)COC1 ZINC000360213799 445633410 /nfs/dbraw/zinc/63/34/10/445633410.db2.gz RCXYRHDZUHWLPI-TVFCKZIOSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC1(C[NH+]2CCN(C)[C@H](C)[C@@H]2C)COC1 ZINC000360213799 445633415 /nfs/dbraw/zinc/63/34/15/445633415.db2.gz RCXYRHDZUHWLPI-TVFCKZIOSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](CC2(CN3CC[NH+](C)[C@H](C)[C@@H]3C)COC2)CCN1C ZINC000360213799 445633420 /nfs/dbraw/zinc/63/34/20/445633420.db2.gz RCXYRHDZUHWLPI-TVFCKZIOSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](CC2(CN3CC[NH+](C)[C@H](C)[C@@H]3C)COC2)CCN1C ZINC000360213799 445633427 /nfs/dbraw/zinc/63/34/27/445633427.db2.gz RCXYRHDZUHWLPI-TVFCKZIOSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](CC2(CN3CC[N@H+](C)[C@H](C)[C@@H]3C)COC2)CCN1C ZINC000360213799 445633432 /nfs/dbraw/zinc/63/34/32/445633432.db2.gz RCXYRHDZUHWLPI-TVFCKZIOSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](CC2(CN3CC[N@@H+](C)[C@H](C)[C@@H]3C)COC2)CCN1C ZINC000360213799 445633434 /nfs/dbraw/zinc/63/34/34/445633434.db2.gz RCXYRHDZUHWLPI-TVFCKZIOSA-N 2 2 338.540 1.052 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000356147567 445647422 /nfs/dbraw/zinc/64/74/22/445647422.db2.gz SWPLGSLUZVYSII-GOEBONIOSA-N 2 2 337.489 1.674 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000356147567 445647427 /nfs/dbraw/zinc/64/74/27/445647427.db2.gz SWPLGSLUZVYSII-GOEBONIOSA-N 2 2 337.489 1.674 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncnc4c3C[NH+](C)CC4)C2)CC1 ZINC000363031534 445655308 /nfs/dbraw/zinc/65/53/08/445655308.db2.gz KJDCLLCTFXSSTR-CQSZACIVSA-N 3 2 330.480 1.045 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncnc4c3C[NH+](C)CC4)C2)CC1 ZINC000363031534 445655313 /nfs/dbraw/zinc/65/53/13/445655313.db2.gz KJDCLLCTFXSSTR-CQSZACIVSA-N 3 2 330.480 1.045 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@@H](Nc3ncnc4c3C[N@H+](C)CC4)C2)CC1 ZINC000363031534 445655316 /nfs/dbraw/zinc/65/53/16/445655316.db2.gz KJDCLLCTFXSSTR-CQSZACIVSA-N 3 2 330.480 1.045 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@@H](Nc3ncnc4c3C[N@@H+](C)CC4)C2)CC1 ZINC000363031534 445655320 /nfs/dbraw/zinc/65/53/20/445655320.db2.gz KJDCLLCTFXSSTR-CQSZACIVSA-N 3 2 330.480 1.045 20 0 EDADLP COC(=O)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000353560671 445656856 /nfs/dbraw/zinc/65/68/56/445656856.db2.gz NFNVWSUTYZVPEC-UHFFFAOYSA-N 2 2 337.464 1.147 20 0 EDADLP COC(=O)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000353560671 445656860 /nfs/dbraw/zinc/65/68/60/445656860.db2.gz NFNVWSUTYZVPEC-UHFFFAOYSA-N 2 2 337.464 1.147 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353574306 445662774 /nfs/dbraw/zinc/66/27/74/445662774.db2.gz XBCQBLFDIBBMCJ-MAUKXSAKSA-N 2 2 344.463 1.056 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353574306 445662775 /nfs/dbraw/zinc/66/27/75/445662775.db2.gz XBCQBLFDIBBMCJ-MAUKXSAKSA-N 2 2 344.463 1.056 20 0 EDADLP COc1ccc([C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000349818777 445688304 /nfs/dbraw/zinc/68/83/04/445688304.db2.gz DXQQEHGEGFXLLI-XJKSGUPXSA-N 2 2 345.447 1.767 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000349820246 445689026 /nfs/dbraw/zinc/68/90/26/445689026.db2.gz UPUASHSDYUVGHQ-UHFFFAOYSA-N 2 2 349.523 1.870 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000349820246 445689031 /nfs/dbraw/zinc/68/90/31/445689031.db2.gz UPUASHSDYUVGHQ-UHFFFAOYSA-N 2 2 349.523 1.870 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000363199833 445718788 /nfs/dbraw/zinc/71/87/88/445718788.db2.gz ZQCIIPHAMZACBU-UHFFFAOYSA-N 2 2 328.420 1.551 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000363199833 445718792 /nfs/dbraw/zinc/71/87/92/445718792.db2.gz ZQCIIPHAMZACBU-UHFFFAOYSA-N 2 2 328.420 1.551 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000353731048 445728694 /nfs/dbraw/zinc/72/86/94/445728694.db2.gz UECBLJOOBKFOSU-LSDHHAIUSA-N 2 2 337.468 1.068 20 0 EDADLP Cc1cc(NC(=O)C[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)no1 ZINC000360963574 445741878 /nfs/dbraw/zinc/74/18/78/445741878.db2.gz YFIVIZFYSMYATF-UHFFFAOYSA-N 2 2 329.404 2.201 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000356345159 445744002 /nfs/dbraw/zinc/74/40/02/445744002.db2.gz ORVUKFAKUQWRMG-SJLPKXTDSA-N 2 2 337.508 1.701 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000356345159 445744004 /nfs/dbraw/zinc/74/40/04/445744004.db2.gz ORVUKFAKUQWRMG-SJLPKXTDSA-N 2 2 337.508 1.701 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000361050969 445746389 /nfs/dbraw/zinc/74/63/89/445746389.db2.gz IRYXBEUTZFMJIG-QFBILLFUSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000361050969 445746393 /nfs/dbraw/zinc/74/63/93/445746393.db2.gz IRYXBEUTZFMJIG-QFBILLFUSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1ccc(F)cc1C[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000361050969 445746398 /nfs/dbraw/zinc/74/63/98/445746398.db2.gz IRYXBEUTZFMJIG-QFBILLFUSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1ccc(F)cc1C[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000361050969 445746400 /nfs/dbraw/zinc/74/64/00/445746400.db2.gz IRYXBEUTZFMJIG-QFBILLFUSA-N 2 2 335.467 1.971 20 0 EDADLP CN(CC[N@@H+]1CCCOCC1)C[C@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000361395253 445764288 /nfs/dbraw/zinc/76/42/88/445764288.db2.gz MTUOQALASBVILR-WOJBJXKFSA-N 2 2 347.503 1.712 20 0 EDADLP CN(CC[N@H+]1CCCOCC1)C[C@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000361395253 445764289 /nfs/dbraw/zinc/76/42/89/445764289.db2.gz MTUOQALASBVILR-WOJBJXKFSA-N 2 2 347.503 1.712 20 0 EDADLP CN(CC[NH+]1CCCOCC1)C[C@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000361395253 445764290 /nfs/dbraw/zinc/76/42/90/445764290.db2.gz MTUOQALASBVILR-WOJBJXKFSA-N 2 2 347.503 1.712 20 0 EDADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cncn3C)CC2)C[C@H](C)O1 ZINC000358862738 445817094 /nfs/dbraw/zinc/81/70/94/445817094.db2.gz BFLZZZQUIYITAJ-HOTGVXAUSA-N 2 2 336.480 1.510 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1nncs1 ZINC000353847121 445781545 /nfs/dbraw/zinc/78/15/45/445781545.db2.gz PGMIJIVAOBYHRO-UHFFFAOYSA-N 2 2 343.522 1.115 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1nncs1 ZINC000353847121 445781549 /nfs/dbraw/zinc/78/15/49/445781549.db2.gz PGMIJIVAOBYHRO-UHFFFAOYSA-N 2 2 343.522 1.115 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000361493527 445786533 /nfs/dbraw/zinc/78/65/33/445786533.db2.gz SXMITCFUIBEIBB-RDJZCZTQSA-N 2 2 330.476 1.927 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000361493527 445786538 /nfs/dbraw/zinc/78/65/38/445786538.db2.gz SXMITCFUIBEIBB-RDJZCZTQSA-N 2 2 330.476 1.927 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000363444157 445806384 /nfs/dbraw/zinc/80/63/84/445806384.db2.gz NCJKBYAMFMRANZ-HNNXBMFYSA-N 2 2 330.436 1.904 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2=O)cn1 ZINC000363449486 445809249 /nfs/dbraw/zinc/80/92/49/445809249.db2.gz LGRFISJFDSEXQZ-INIZCTEOSA-N 2 2 328.420 1.518 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+]3CCC(c4c[nH+]c[nH]4)CC3)C2=O)cn1 ZINC000363449486 445809254 /nfs/dbraw/zinc/80/92/54/445809254.db2.gz LGRFISJFDSEXQZ-INIZCTEOSA-N 2 2 328.420 1.518 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363459230 445813973 /nfs/dbraw/zinc/81/39/73/445813973.db2.gz IVDGVOGQZQDDCO-LJQANCHMSA-N 3 2 333.524 1.931 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363459230 445813978 /nfs/dbraw/zinc/81/39/78/445813978.db2.gz IVDGVOGQZQDDCO-LJQANCHMSA-N 3 2 333.524 1.931 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000363539805 445850434 /nfs/dbraw/zinc/85/04/34/445850434.db2.gz PBSWJSNVGBRMHI-RTBURBONSA-N 2 2 342.487 1.504 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000363539805 445850436 /nfs/dbraw/zinc/85/04/36/445850436.db2.gz PBSWJSNVGBRMHI-RTBURBONSA-N 2 2 342.487 1.504 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)N(C)CC[NH+](C)C)C1CCOCC1 ZINC000356666884 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20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)C[C@H]1C ZINC000354223939 446020105 /nfs/dbraw/zinc/02/01/05/446020105.db2.gz MBALJNNQGWCIND-WBVHZDCISA-N 2 2 346.475 1.817 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)C[C@H]1C ZINC000354223939 446020110 /nfs/dbraw/zinc/02/01/10/446020110.db2.gz MBALJNNQGWCIND-WBVHZDCISA-N 2 2 346.475 1.817 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)C[C@H]1C ZINC000354223939 446020113 /nfs/dbraw/zinc/02/01/13/446020113.db2.gz MBALJNNQGWCIND-WBVHZDCISA-N 2 2 346.475 1.817 20 0 EDADLP C[C@@H](NC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1)C1=CC[N@H+](C)CC1 ZINC000369253139 446025107 /nfs/dbraw/zinc/02/51/07/446025107.db2.gz RMJDAPUZYGYUHX-HUUCEWRRSA-N 2 2 331.464 1.737 20 0 EDADLP C[C@@H](NC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1)C1=CC[N@@H+](C)CC1 ZINC000369253139 446025115 /nfs/dbraw/zinc/02/51/15/446025115.db2.gz RMJDAPUZYGYUHX-HUUCEWRRSA-N 2 2 331.464 1.737 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 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/nfs/dbraw/zinc/24/84/77/446248477.db2.gz CAUWFVWZXVYALK-GVDBMIGSSA-N 2 2 337.427 1.824 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365543452 446248480 /nfs/dbraw/zinc/24/84/80/446248480.db2.gz CAUWFVWZXVYALK-GVDBMIGSSA-N 2 2 337.427 1.824 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000373527891 446249389 /nfs/dbraw/zinc/24/93/89/446249389.db2.gz FZMLAFYJFABNEF-AWEZNQCLSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000373527891 446249392 /nfs/dbraw/zinc/24/93/92/446249392.db2.gz FZMLAFYJFABNEF-AWEZNQCLSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000373527891 446249394 /nfs/dbraw/zinc/24/93/94/446249394.db2.gz FZMLAFYJFABNEF-AWEZNQCLSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000373527891 446249396 /nfs/dbraw/zinc/24/93/96/446249396.db2.gz FZMLAFYJFABNEF-AWEZNQCLSA-N 2 2 349.475 1.975 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CCn4c[nH+]cc4C3)CC2)[nH+]c1 ZINC000365684272 446300079 /nfs/dbraw/zinc/30/00/79/446300079.db2.gz HDMWEHACLPHJLL-UHFFFAOYSA-N 2 2 325.416 1.845 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417514187 446359838 /nfs/dbraw/zinc/35/98/38/446359838.db2.gz ATOXOKGCGFUHMP-VGWMRTNUSA-N 2 2 326.485 1.160 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000366813055 446364624 /nfs/dbraw/zinc/36/46/24/446364624.db2.gz VXQDERBMNDULRI-GOSISDBHSA-N 2 2 347.459 1.146 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000366813055 446364628 /nfs/dbraw/zinc/36/46/28/446364628.db2.gz VXQDERBMNDULRI-GOSISDBHSA-N 2 2 347.459 1.146 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cn(-c2ccccc2)nn1 ZINC000370643252 446370315 /nfs/dbraw/zinc/37/03/15/446370315.db2.gz IHJNSECIXKJFPA-HNNXBMFYSA-N 2 2 342.447 1.082 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365861831 446376294 /nfs/dbraw/zinc/37/62/94/446376294.db2.gz OIOZGYMZJDEOIW-UHFFFAOYSA-N 2 2 347.507 1.669 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365861831 446376298 /nfs/dbraw/zinc/37/62/98/446376298.db2.gz OIOZGYMZJDEOIW-UHFFFAOYSA-N 2 2 347.507 1.669 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365861831 446376304 /nfs/dbraw/zinc/37/63/04/446376304.db2.gz OIOZGYMZJDEOIW-UHFFFAOYSA-N 2 2 347.507 1.669 20 0 EDADLP COc1ncc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C)n1 ZINC000366844678 446379472 /nfs/dbraw/zinc/37/94/72/446379472.db2.gz JRRBUWGKNGVFJG-QGZVFWFLSA-N 2 2 333.480 1.396 20 0 EDADLP COc1ncc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)n1 ZINC000366844678 446379474 /nfs/dbraw/zinc/37/94/74/446379474.db2.gz JRRBUWGKNGVFJG-QGZVFWFLSA-N 2 2 333.480 1.396 20 0 EDADLP CCn1c[nH+]cc1C[NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000417930650 446389560 /nfs/dbraw/zinc/38/95/60/446389560.db2.gz BDVWOTUDZCHITB-QGZVFWFLSA-N 2 2 344.415 1.815 20 0 EDADLP CO[C@@H](C)c1nsc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370690529 446389572 /nfs/dbraw/zinc/38/95/72/446389572.db2.gz PKYMHSWBQQTOPD-GXTWGEPZSA-N 2 2 339.509 1.850 20 0 EDADLP CO[C@@H](C)c1nsc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370690529 446389575 /nfs/dbraw/zinc/38/95/75/446389575.db2.gz PKYMHSWBQQTOPD-GXTWGEPZSA-N 2 2 339.509 1.850 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000376244482 446396566 /nfs/dbraw/zinc/39/65/66/446396566.db2.gz KRXYNDCTXSDYDC-VQIMIIECSA-N 2 2 329.444 1.339 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951668 446397468 /nfs/dbraw/zinc/39/74/68/446397468.db2.gz YZVZRFABHKTTAF-FZQKWOKYSA-N 2 2 328.819 1.871 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951668 446397470 /nfs/dbraw/zinc/39/74/70/446397470.db2.gz YZVZRFABHKTTAF-FZQKWOKYSA-N 2 2 328.819 1.871 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3cncs3)CC2)C1 ZINC000411238907 446437921 /nfs/dbraw/zinc/43/79/21/446437921.db2.gz MHDBLNIUCPBXLQ-INIZCTEOSA-N 2 2 338.521 1.412 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3cncs3)CC2)C1 ZINC000411238907 446437928 /nfs/dbraw/zinc/43/79/28/446437928.db2.gz MHDBLNIUCPBXLQ-INIZCTEOSA-N 2 2 338.521 1.412 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCCO[C@H](C[NH3+])C2)nc[nH+]1 ZINC000420275347 446445190 /nfs/dbraw/zinc/44/51/90/446445190.db2.gz FTRPGOFZYBCYJV-VKJFTORMSA-N 2 2 349.479 1.646 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCCO[C@H](C[NH3+])C2)[nH+]cn1 ZINC000420275347 446445192 /nfs/dbraw/zinc/44/51/92/446445192.db2.gz FTRPGOFZYBCYJV-VKJFTORMSA-N 2 2 349.479 1.646 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279887 446448675 /nfs/dbraw/zinc/44/86/75/446448675.db2.gz XQHRJRFDGLYOAW-SJLPKXTDSA-N 3 2 332.492 1.337 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279887 446448681 /nfs/dbraw/zinc/44/86/81/446448681.db2.gz XQHRJRFDGLYOAW-SJLPKXTDSA-N 3 2 332.492 1.337 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1(C)C ZINC000366898934 446403001 /nfs/dbraw/zinc/40/30/01/446403001.db2.gz AFNFGKIJDQWCTF-HNNXBMFYSA-N 2 2 348.495 1.086 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1(C)C ZINC000366898934 446403004 /nfs/dbraw/zinc/40/30/04/446403004.db2.gz AFNFGKIJDQWCTF-HNNXBMFYSA-N 2 2 348.495 1.086 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000370757235 446419159 /nfs/dbraw/zinc/41/91/59/446419159.db2.gz NKAISMUKYZYKJV-XHSDSOJGSA-N 2 2 325.416 1.804 20 0 EDADLP CC(C)(C)n1ncnc1C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000374864958 446424235 /nfs/dbraw/zinc/42/42/35/446424235.db2.gz UGNBCJZFSOIEKT-UHFFFAOYSA-N 2 2 335.496 1.967 20 0 EDADLP CN(C(=O)c1ccc(Cl)nc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370816293 446457049 /nfs/dbraw/zinc/45/70/49/446457049.db2.gz ADTVZEWZKFJCBC-OAHLLOKOSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1ccc(Cl)nc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370816293 446457055 /nfs/dbraw/zinc/45/70/55/446457055.db2.gz ADTVZEWZKFJCBC-OAHLLOKOSA-N 2 2 336.867 1.976 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420300188 446463267 /nfs/dbraw/zinc/46/32/67/446463267.db2.gz UQLLFNKNJHRFKW-LLVKDONJSA-N 2 2 339.461 1.923 20 0 EDADLP CN(C(=O)c1cccc(Cl)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836392 446470183 /nfs/dbraw/zinc/47/01/83/446470183.db2.gz AKAOCVHYGSQIFP-CQSZACIVSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1cccc(Cl)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836392 446470187 /nfs/dbraw/zinc/47/01/87/446470187.db2.gz AKAOCVHYGSQIFP-CQSZACIVSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)COC1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836505 446471021 /nfs/dbraw/zinc/47/10/21/446471021.db2.gz BRZLZJQGGBAQCU-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CN(C(=O)COC1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836505 446471029 /nfs/dbraw/zinc/47/10/29/446471029.db2.gz BRZLZJQGGBAQCU-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CN(C(=O)CCc1ccccc1O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839175 446473693 /nfs/dbraw/zinc/47/36/93/446473693.db2.gz PATFWULHYDANME-GOSISDBHSA-N 2 2 345.487 1.952 20 0 EDADLP CN(C(=O)CCc1ccccc1O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839175 446473695 /nfs/dbraw/zinc/47/36/95/446473695.db2.gz PATFWULHYDANME-GOSISDBHSA-N 2 2 345.487 1.952 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311991 446475145 /nfs/dbraw/zinc/47/51/45/446475145.db2.gz HKKBXLYLPVSCHZ-QWRGUYRKSA-N 2 2 331.399 1.506 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311991 446475147 /nfs/dbraw/zinc/47/51/47/446475147.db2.gz HKKBXLYLPVSCHZ-QWRGUYRKSA-N 2 2 331.399 1.506 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)[nH+]1 ZINC000411299788 446477293 /nfs/dbraw/zinc/47/72/93/446477293.db2.gz VDRXNZPRILELTN-HUUCEWRRSA-N 2 2 332.448 1.934 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423333719 446491020 /nfs/dbraw/zinc/49/10/20/446491020.db2.gz OGCUBMDKWMEHLX-BPQIPLTHSA-N 2 2 329.448 1.801 20 0 EDADLP CC(C)(C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423341895 446495941 /nfs/dbraw/zinc/49/59/41/446495941.db2.gz KNMGAFOXHQZXBW-SJORKVTESA-N 2 2 331.460 1.646 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C1 ZINC000423338491 446494037 /nfs/dbraw/zinc/49/40/37/446494037.db2.gz RUEKJUVRDDUEOY-FMKPAKJESA-N 2 2 332.448 1.311 20 0 EDADLP COCCCn1nccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000375001793 446505855 /nfs/dbraw/zinc/50/58/55/446505855.db2.gz QBXRXRVXACUIRG-RYQLBKOJSA-N 2 2 336.480 1.603 20 0 EDADLP COCCCn1nccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000375001793 446505857 /nfs/dbraw/zinc/50/58/57/446505857.db2.gz QBXRXRVXACUIRG-RYQLBKOJSA-N 2 2 336.480 1.603 20 0 EDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[N@@H+]1CCc2sccc2C1 ZINC000423340149 446496655 /nfs/dbraw/zinc/49/66/55/446496655.db2.gz XCWRXQJKHPQONG-YGRLFVJLSA-N 2 2 336.486 1.767 20 0 EDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[N@H+]1CCc2sccc2C1 ZINC000423340149 446496661 /nfs/dbraw/zinc/49/66/61/446496661.db2.gz XCWRXQJKHPQONG-YGRLFVJLSA-N 2 2 336.486 1.767 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411400432 446519603 /nfs/dbraw/zinc/51/96/03/446519603.db2.gz NTMRFWANOQPSBI-INIZCTEOSA-N 2 2 343.406 1.487 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCN(c2ccc(F)cc2)CC1 ZINC000420346785 446520417 /nfs/dbraw/zinc/52/04/17/446520417.db2.gz ZAKOWWIWBSEPCP-QAPCUYQASA-N 2 2 346.450 1.158 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCN(c2ccc(F)cc2)CC1 ZINC000420346785 446520422 /nfs/dbraw/zinc/52/04/22/446520422.db2.gz ZAKOWWIWBSEPCP-QAPCUYQASA-N 2 2 346.450 1.158 20 0 EDADLP Cn1cc([C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)CCC[N@H+]2C)cn1 ZINC000370920104 446521182 /nfs/dbraw/zinc/52/11/82/446521182.db2.gz ZAHIDXYQRJYXNA-PBHICJAKSA-N 2 2 330.436 1.206 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000420392106 446566861 /nfs/dbraw/zinc/56/68/61/446566861.db2.gz UGKRECMRIAWTMH-OAHLLOKOSA-N 2 2 334.464 1.288 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000420392106 446566871 /nfs/dbraw/zinc/56/68/71/446566871.db2.gz UGKRECMRIAWTMH-OAHLLOKOSA-N 2 2 334.464 1.288 20 0 EDADLP CN(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C(c1ccccc1)c1ccccc1 ZINC000420350699 446528390 /nfs/dbraw/zinc/52/83/90/446528390.db2.gz HSKQGROHQWGYDW-SFHVURJKSA-N 2 2 341.455 1.486 20 0 EDADLP CN(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C(c1ccccc1)c1ccccc1 ZINC000420350699 446528397 /nfs/dbraw/zinc/52/83/97/446528397.db2.gz HSKQGROHQWGYDW-SFHVURJKSA-N 2 2 341.455 1.486 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350832 446529041 /nfs/dbraw/zinc/52/90/41/446529041.db2.gz IEVHAQVKZLCSPZ-GOEBONIOSA-N 2 2 327.428 1.932 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350832 446529049 /nfs/dbraw/zinc/52/90/49/446529049.db2.gz IEVHAQVKZLCSPZ-GOEBONIOSA-N 2 2 327.428 1.932 20 0 EDADLP CC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420351226 446530333 /nfs/dbraw/zinc/53/03/33/446530333.db2.gz WGBUDJUZBCTXGA-KBXCAEBGSA-N 2 2 344.459 1.196 20 0 EDADLP CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420351226 446530339 /nfs/dbraw/zinc/53/03/39/446530339.db2.gz WGBUDJUZBCTXGA-KBXCAEBGSA-N 2 2 344.459 1.196 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)c(C)c1 ZINC000420354433 446533298 /nfs/dbraw/zinc/53/32/98/446533298.db2.gz CZMQQXRGOGIJCY-HNNXBMFYSA-N 2 2 348.491 1.630 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000420354218 446533490 /nfs/dbraw/zinc/53/34/90/446533490.db2.gz AYDGWOWOLKSTCT-MAPUTHEBSA-N 2 2 325.497 1.674 20 0 EDADLP COc1ccc(CCNC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000420356544 446536388 /nfs/dbraw/zinc/53/63/88/446536388.db2.gz CTKAFRPCDRPTQQ-IQUTYRLHSA-N 2 2 349.475 1.339 20 0 EDADLP [NH3+]C[C@H]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)C1CCCCC1 ZINC000420358521 446537040 /nfs/dbraw/zinc/53/70/40/446537040.db2.gz JIPKBPNNORBTIY-CVEARBPZSA-N 2 2 347.459 1.440 20 0 EDADLP C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411432451 446539411 /nfs/dbraw/zinc/53/94/11/446539411.db2.gz WGDSOPOLNQPWSJ-KRWDZBQOSA-N 2 2 345.487 1.698 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000418431063 446539981 /nfs/dbraw/zinc/53/99/81/446539981.db2.gz WFFZVBFRLWCZNS-HOTGVXAUSA-N 2 2 326.485 1.112 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000418431063 446539984 /nfs/dbraw/zinc/53/99/84/446539984.db2.gz WFFZVBFRLWCZNS-HOTGVXAUSA-N 2 2 326.485 1.112 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000420361273 446541131 /nfs/dbraw/zinc/54/11/31/446541131.db2.gz MAITVIQCADZOQT-OAHLLOKOSA-N 2 2 333.480 1.973 20 0 EDADLP CO[C@@H]1CC[C@H]2OCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)[C@@H]2C1 ZINC000420366984 446546395 /nfs/dbraw/zinc/54/63/95/446546395.db2.gz GJGYHYQZXDKPJL-MTHXSQLBSA-N 2 2 334.460 1.186 20 0 EDADLP CO[C@@H]1CC[C@H]2OCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)[C@@H]2C1 ZINC000420366984 446546399 /nfs/dbraw/zinc/54/63/99/446546399.db2.gz GJGYHYQZXDKPJL-MTHXSQLBSA-N 2 2 334.460 1.186 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@H]3[C@@H](C)[NH2+]CC[C@@H]3C)CC2)c1 ZINC000420373482 446550267 /nfs/dbraw/zinc/55/02/67/446550267.db2.gz RDMSHJPGBOWFPO-SQGPQFPESA-N 2 2 344.503 1.620 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420373333 446551339 /nfs/dbraw/zinc/55/13/39/446551339.db2.gz GFHLGQVFRXUFTP-MCIONIFRSA-N 2 2 330.432 1.277 20 0 EDADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420373333 446551342 /nfs/dbraw/zinc/55/13/42/446551342.db2.gz GFHLGQVFRXUFTP-MCIONIFRSA-N 2 2 330.432 1.277 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000420372762 446551493 /nfs/dbraw/zinc/55/14/93/446551493.db2.gz QPARNBYLSGUXAI-SPYBWZPUSA-N 2 2 348.466 1.450 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)CC2)c1 ZINC000420374104 446553048 /nfs/dbraw/zinc/55/30/48/446553048.db2.gz ZYYPPPANDXQWOU-GOSISDBHSA-N 3 2 346.519 1.602 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CN[C@H](C[NH3+])C(C)(C)C)CC2)c1 ZINC000420374104 446553053 /nfs/dbraw/zinc/55/30/53/446553053.db2.gz ZYYPPPANDXQWOU-GOSISDBHSA-N 2 2 346.519 1.602 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420381720 446556683 /nfs/dbraw/zinc/55/66/83/446556683.db2.gz ZGUPRHPEXUEACN-JKSUJKDBSA-N 2 2 339.480 1.428 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000418625114 446620173 /nfs/dbraw/zinc/62/01/73/446620173.db2.gz ICGQSGNVWLUFSO-BPNCWPANSA-N 2 2 341.431 1.111 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000418625114 446620179 /nfs/dbraw/zinc/62/01/79/446620179.db2.gz ICGQSGNVWLUFSO-BPNCWPANSA-N 2 2 341.431 1.111 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000420395207 446570515 /nfs/dbraw/zinc/57/05/15/446570515.db2.gz DCWYYTIJGFBETI-DZGCQCFKSA-N 2 2 332.448 1.244 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000420395207 446570517 /nfs/dbraw/zinc/57/05/17/446570517.db2.gz DCWYYTIJGFBETI-DZGCQCFKSA-N 2 2 332.448 1.244 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)CC2 ZINC000423592665 446594344 /nfs/dbraw/zinc/59/43/44/446594344.db2.gz FCKUWXFUGWOYCO-UONOGXRCSA-N 2 2 347.459 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)CC2 ZINC000423592665 446594348 /nfs/dbraw/zinc/59/43/48/446594348.db2.gz FCKUWXFUGWOYCO-UONOGXRCSA-N 2 2 347.459 1.271 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000423615368 446607809 /nfs/dbraw/zinc/60/78/09/446607809.db2.gz RBBGFWMVLNJACQ-APWZRJJASA-N 2 2 344.503 1.358 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000418671650 446643242 /nfs/dbraw/zinc/64/32/42/446643242.db2.gz MQSRKEGZIRTOMV-FOLVSLTJSA-N 2 2 334.851 1.385 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[NH+]1CCCCC1)C1CCOCC1 ZINC000375215813 446649418 /nfs/dbraw/zinc/64/94/18/446649418.db2.gz PTWMBXYFAPRJFQ-INIZCTEOSA-N 2 2 349.479 1.673 20 0 EDADLP CCOC(=O)c1cccnc1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368117620 446650135 /nfs/dbraw/zinc/65/01/35/446650135.db2.gz CVPQXLRVJJMYBX-OAHLLOKOSA-N 2 2 346.475 1.863 20 0 EDADLP CCOC(=O)c1cccnc1N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368117620 446650140 /nfs/dbraw/zinc/65/01/40/446650140.db2.gz CVPQXLRVJJMYBX-OAHLLOKOSA-N 2 2 346.475 1.863 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418692236 446650816 /nfs/dbraw/zinc/65/08/16/446650816.db2.gz RVFVSJKNMHGOHQ-NJAFHUGGSA-N 2 2 348.491 1.827 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418692236 446650823 /nfs/dbraw/zinc/65/08/23/446650823.db2.gz RVFVSJKNMHGOHQ-NJAFHUGGSA-N 2 2 348.491 1.827 20 0 EDADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC000411697512 446651963 /nfs/dbraw/zinc/65/19/63/446651963.db2.gz RRFQSEPEQDCUES-ZIAGYGMSSA-N 2 2 334.489 1.708 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+]([C@@H]1CCCNC1=O)CC2 ZINC000411697512 446651969 /nfs/dbraw/zinc/65/19/69/446651969.db2.gz RRFQSEPEQDCUES-ZIAGYGMSSA-N 2 2 334.489 1.708 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000418633668 446625474 /nfs/dbraw/zinc/62/54/74/446625474.db2.gz XPGUEMSITVPEPK-CYBMUJFWSA-N 2 2 338.427 1.269 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C(C)C ZINC000418773452 446690758 /nfs/dbraw/zinc/69/07/58/446690758.db2.gz VHATVMMMIKISGT-AWEZNQCLSA-N 2 2 334.455 1.991 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C[NH3+])OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423822901 446712608 /nfs/dbraw/zinc/71/26/08/446712608.db2.gz JEXYEHBAFFILLM-ZNMIVQPWSA-N 2 2 343.830 1.704 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C[NH3+])OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423822901 446712613 /nfs/dbraw/zinc/71/26/13/446712613.db2.gz JEXYEHBAFFILLM-ZNMIVQPWSA-N 2 2 343.830 1.704 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000423824424 446713138 /nfs/dbraw/zinc/71/31/38/446713138.db2.gz VSDOLWGAFFNLNU-BBRMVZONSA-N 2 2 337.489 1.707 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423829560 446719704 /nfs/dbraw/zinc/71/97/04/446719704.db2.gz PFUZMLJBTQFCQB-RRFJBIMHSA-N 2 2 341.814 1.329 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423829560 446719707 /nfs/dbraw/zinc/71/97/07/446719707.db2.gz PFUZMLJBTQFCQB-RRFJBIMHSA-N 2 2 341.814 1.329 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@]3(F)CC[NH2+]C3)CC2)cc1 ZINC000371271925 446730300 /nfs/dbraw/zinc/73/03/00/446730300.db2.gz XRDNYKYSJONTCY-SFHVURJKSA-N 2 2 334.439 1.539 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@]3(F)CC[NH2+]C3)CC2)cc1 ZINC000371271925 446730305 /nfs/dbraw/zinc/73/03/05/446730305.db2.gz XRDNYKYSJONTCY-SFHVURJKSA-N 2 2 334.439 1.539 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)cn1 ZINC000423754437 446684504 /nfs/dbraw/zinc/68/45/04/446684504.db2.gz HZJWZJQPBLJWGI-WMZOPIPTSA-N 2 2 347.507 1.716 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)cn1 ZINC000423754437 446684511 /nfs/dbraw/zinc/68/45/11/446684511.db2.gz HZJWZJQPBLJWGI-WMZOPIPTSA-N 2 2 347.507 1.716 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000376840677 446748094 /nfs/dbraw/zinc/74/80/94/446748094.db2.gz DYINRTJKHZCAQA-CYBMUJFWSA-N 2 2 328.420 1.150 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000423906715 446756933 /nfs/dbraw/zinc/75/69/33/446756933.db2.gz AARQRPJBYSJDQW-GZIXRCOHSA-N 2 2 337.464 1.776 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000423906715 446756938 /nfs/dbraw/zinc/75/69/38/446756938.db2.gz AARQRPJBYSJDQW-GZIXRCOHSA-N 2 2 337.464 1.776 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCc1ccccc1 ZINC000371301826 446757765 /nfs/dbraw/zinc/75/77/65/446757765.db2.gz WMYRTNXQMUWBFP-KZNAEPCWSA-N 2 2 331.460 1.486 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCc1ccccc1 ZINC000371301826 446757774 /nfs/dbraw/zinc/75/77/74/446757774.db2.gz WMYRTNXQMUWBFP-KZNAEPCWSA-N 2 2 331.460 1.486 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371303782 446759576 /nfs/dbraw/zinc/75/95/76/446759576.db2.gz PWPSHJJQBZWNDZ-ZWKOTPCHSA-N 2 2 338.540 1.593 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371303782 446759580 /nfs/dbraw/zinc/75/95/80/446759580.db2.gz PWPSHJJQBZWNDZ-ZWKOTPCHSA-N 2 2 338.540 1.593 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423913281 446763240 /nfs/dbraw/zinc/76/32/40/446763240.db2.gz JTJHPNIZPVVFPJ-SGMGOOAPSA-N 2 2 329.441 1.093 20 0 EDADLP COC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423913281 446763248 /nfs/dbraw/zinc/76/32/48/446763248.db2.gz JTJHPNIZPVVFPJ-SGMGOOAPSA-N 2 2 329.441 1.093 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000423919643 446769072 /nfs/dbraw/zinc/76/90/72/446769072.db2.gz UOTFNNBJHCPCGE-INIZCTEOSA-N 2 2 327.432 1.514 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423924240 446772848 /nfs/dbraw/zinc/77/28/48/446772848.db2.gz DFEAQHMJKSWZKD-RRFJBIMHSA-N 2 2 332.448 1.645 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423933354 446784031 /nfs/dbraw/zinc/78/40/31/446784031.db2.gz RRGHHAPROQCSFV-LNLFQRSKSA-N 2 2 331.460 1.659 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423933354 446784032 /nfs/dbraw/zinc/78/40/32/446784032.db2.gz RRGHHAPROQCSFV-LNLFQRSKSA-N 2 2 331.460 1.659 20 0 EDADLP COC1([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000412019266 446787464 /nfs/dbraw/zinc/78/74/64/446787464.db2.gz HOXTUTSTMNGZAY-QGZVFWFLSA-N 2 2 345.487 1.878 20 0 EDADLP Cc1cc(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc(C)[nH+]1 ZINC000420756577 446794871 /nfs/dbraw/zinc/79/48/71/446794871.db2.gz FHBJHHHBJPFHFJ-HZPDHXFCSA-N 2 2 334.464 1.997 20 0 EDADLP CCOC(=O)C(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371356340 446801526 /nfs/dbraw/zinc/80/15/26/446801526.db2.gz XDCWFPWAZAGPNG-OAHLLOKOSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371356340 446801531 /nfs/dbraw/zinc/80/15/31/446801531.db2.gz XDCWFPWAZAGPNG-OAHLLOKOSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@H](CC)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371350143 446797181 /nfs/dbraw/zinc/79/71/81/446797181.db2.gz PYCWLTAINKFAPD-KRWDZBQOSA-N 2 2 325.497 1.819 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371423298 446844793 /nfs/dbraw/zinc/84/47/93/446844793.db2.gz JBCJFUKOWRZEPJ-IAGOWNOFSA-N 2 2 325.497 1.678 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371423298 446844798 /nfs/dbraw/zinc/84/47/98/446844798.db2.gz JBCJFUKOWRZEPJ-IAGOWNOFSA-N 2 2 325.497 1.678 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371461077 446870508 /nfs/dbraw/zinc/87/05/08/446870508.db2.gz VEDCDHQBOQWQKU-INIZCTEOSA-N 2 2 345.553 1.300 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371461077 446870513 /nfs/dbraw/zinc/87/05/13/446870513.db2.gz VEDCDHQBOQWQKU-INIZCTEOSA-N 2 2 345.553 1.300 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000377031563 446872681 /nfs/dbraw/zinc/87/26/81/446872681.db2.gz KAWAQQQIXSXEFK-PKOBYXMFSA-N 3 2 337.556 1.418 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000377031563 446872688 /nfs/dbraw/zinc/87/26/88/446872688.db2.gz KAWAQQQIXSXEFK-PKOBYXMFSA-N 3 2 337.556 1.418 20 0 EDADLP CC(C)c1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)[nH]n1 ZINC000371464727 446873880 /nfs/dbraw/zinc/87/38/80/446873880.db2.gz WBRCMAJLKSQMSI-CQSZACIVSA-N 2 2 333.480 1.774 20 0 EDADLP CC(C)c1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)[nH]n1 ZINC000371464727 446873881 /nfs/dbraw/zinc/87/38/81/446873881.db2.gz WBRCMAJLKSQMSI-CQSZACIVSA-N 2 2 333.480 1.774 20 0 EDADLP CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899887 446876276 /nfs/dbraw/zinc/87/62/76/446876276.db2.gz GVQIOKZTCWSJRJ-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899887 446876285 /nfs/dbraw/zinc/87/62/85/446876285.db2.gz GVQIOKZTCWSJRJ-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP Cc1ncc(C[NH+]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)s1 ZINC000371474247 446879365 /nfs/dbraw/zinc/87/93/65/446879365.db2.gz XVNXECIKZCDLRM-IYBDPMFKSA-N 2 2 336.505 1.432 20 0 EDADLP Cc1ncc(C[NH+]2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)s1 ZINC000371474247 446879371 /nfs/dbraw/zinc/87/93/71/446879371.db2.gz XVNXECIKZCDLRM-IYBDPMFKSA-N 2 2 336.505 1.432 20 0 EDADLP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000420925801 446893747 /nfs/dbraw/zinc/89/37/47/446893747.db2.gz MEQLBGGBUCEGFR-HUUCEWRRSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000420925801 446893752 /nfs/dbraw/zinc/89/37/52/446893752.db2.gz MEQLBGGBUCEGFR-HUUCEWRRSA-N 2 2 339.480 1.203 20 0 EDADLP C[N@H+](CCc1cnccn1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931784 446904476 /nfs/dbraw/zinc/90/44/76/446904476.db2.gz GZIPLUZVJMSMCV-UHFFFAOYSA-N 2 2 326.444 1.983 20 0 EDADLP C[N@@H+](CCc1cnccn1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420931784 446904482 /nfs/dbraw/zinc/90/44/82/446904482.db2.gz GZIPLUZVJMSMCV-UHFFFAOYSA-N 2 2 326.444 1.983 20 0 EDADLP Cn1cnnc1[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420951750 446923240 /nfs/dbraw/zinc/92/32/40/446923240.db2.gz TYCMTOUCJSHTFA-GOSISDBHSA-N 2 2 341.459 1.984 20 0 EDADLP Cn1cnnc1[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420951750 446923249 /nfs/dbraw/zinc/92/32/49/446923249.db2.gz TYCMTOUCJSHTFA-GOSISDBHSA-N 2 2 341.459 1.984 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@@H]21 ZINC000371508858 446902911 /nfs/dbraw/zinc/90/29/11/446902911.db2.gz MOJZCBUWARHHRJ-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@@H]21 ZINC000371508858 446902915 /nfs/dbraw/zinc/90/29/15/446902915.db2.gz MOJZCBUWARHHRJ-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000420960504 446929426 /nfs/dbraw/zinc/92/94/26/446929426.db2.gz HXHWQSNRVHIYDZ-YLJYHZDGSA-N 2 2 346.471 1.899 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000420960504 446929430 /nfs/dbraw/zinc/92/94/30/446929430.db2.gz HXHWQSNRVHIYDZ-YLJYHZDGSA-N 2 2 346.471 1.899 20 0 EDADLP CCCCCCNC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000371556742 446929987 /nfs/dbraw/zinc/92/99/87/446929987.db2.gz CVYWQQQWTSYQKX-UHFFFAOYSA-N 2 2 349.523 1.976 20 0 EDADLP CNC(=O)[C@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420976191 446949313 /nfs/dbraw/zinc/94/93/13/446949313.db2.gz PBUDUQZDVJDMJJ-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP CNC(=O)[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420976191 446949319 /nfs/dbraw/zinc/94/93/19/446949319.db2.gz PBUDUQZDVJDMJJ-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP CNC(=O)[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000420976191 446949324 /nfs/dbraw/zinc/94/93/24/446949324.db2.gz PBUDUQZDVJDMJJ-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP CNC(=O)[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000420976191 446949327 /nfs/dbraw/zinc/94/93/27/446949327.db2.gz PBUDUQZDVJDMJJ-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP C[N@H+](CCCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000454715034 446952179 /nfs/dbraw/zinc/95/21/79/446952179.db2.gz ONLGIKDIUNMERI-OAHLLOKOSA-N 2 2 331.464 1.834 20 0 EDADLP C[N@@H+](CCCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000454715034 446952185 /nfs/dbraw/zinc/95/21/85/446952185.db2.gz ONLGIKDIUNMERI-OAHLLOKOSA-N 2 2 331.464 1.834 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000442767529 446958810 /nfs/dbraw/zinc/95/88/10/446958810.db2.gz RCIZKVUJJMQWPR-QWRGUYRKSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000442767529 446958817 /nfs/dbraw/zinc/95/88/17/446958817.db2.gz RCIZKVUJJMQWPR-QWRGUYRKSA-N 2 2 341.839 1.965 20 0 EDADLP CN(CCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000442771731 446961448 /nfs/dbraw/zinc/96/14/48/446961448.db2.gz SUJBQMKQKZPPNE-JJTKIYQPSA-N 2 2 344.503 1.844 20 0 EDADLP CN(CCCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000442771731 446961452 /nfs/dbraw/zinc/96/14/52/446961452.db2.gz SUJBQMKQKZPPNE-JJTKIYQPSA-N 2 2 344.503 1.844 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC000413113686 447009919 /nfs/dbraw/zinc/00/99/19/447009919.db2.gz VWBYZLJCBYCQPK-VQHPVUNQSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC000413113686 447009928 /nfs/dbraw/zinc/00/99/28/447009928.db2.gz VWBYZLJCBYCQPK-VQHPVUNQSA-N 2 2 338.496 1.079 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000425006555 446987522 /nfs/dbraw/zinc/98/75/22/446987522.db2.gz XRLYHADPQOFCOT-UHFFFAOYSA-N 2 2 336.480 1.966 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N[C@H](C)C[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000413088286 446992347 /nfs/dbraw/zinc/99/23/47/446992347.db2.gz GDSCHQDQMYSJGS-OAGGEKHMSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)(O)C[N@@H+]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000368720033 447065865 /nfs/dbraw/zinc/06/58/65/447065865.db2.gz UTGYPMRLBYQBIF-UHFFFAOYSA-N 2 2 333.480 1.750 20 0 EDADLP CC(C)(O)C[N@H+]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000368720033 447065869 /nfs/dbraw/zinc/06/58/69/447065869.db2.gz UTGYPMRLBYQBIF-UHFFFAOYSA-N 2 2 333.480 1.750 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CCC[NH+]3CCCC3)nc[nH+]2)C1 ZINC000413262223 447100852 /nfs/dbraw/zinc/10/08/52/447100852.db2.gz FREREUYFTJVIFI-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CCC[NH+]3CCCC3)[nH+]cn2)C1 ZINC000413262223 447100857 /nfs/dbraw/zinc/10/08/57/447100857.db2.gz FREREUYFTJVIFI-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000375890131 447124824 /nfs/dbraw/zinc/12/48/24/447124824.db2.gz MHDOXYRWGNKPOJ-HNNXBMFYSA-N 2 2 335.496 1.967 20 0 EDADLP COC(=O)CCCCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368797751 447113530 /nfs/dbraw/zinc/11/35/30/447113530.db2.gz OTGWDGBTLHPVCH-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CCCCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368797751 447113537 /nfs/dbraw/zinc/11/35/37/447113537.db2.gz OTGWDGBTLHPVCH-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000413285893 447115116 /nfs/dbraw/zinc/11/51/16/447115116.db2.gz CSZDISWLUXUKPF-WFASDCNBSA-N 2 2 340.418 1.961 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000413285893 447115120 /nfs/dbraw/zinc/11/51/20/447115120.db2.gz CSZDISWLUXUKPF-WFASDCNBSA-N 2 2 340.418 1.961 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000425343179 447123568 /nfs/dbraw/zinc/12/35/68/447123568.db2.gz RFUCFTWTBFVGET-UHFFFAOYSA-N 2 2 328.359 1.945 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000375908602 447138764 /nfs/dbraw/zinc/13/87/64/447138764.db2.gz XWXVLLRISJDYHX-SFHVURJKSA-N 2 2 327.476 1.935 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000375908602 447138769 /nfs/dbraw/zinc/13/87/69/447138769.db2.gz XWXVLLRISJDYHX-SFHVURJKSA-N 2 2 327.476 1.935 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000375908042 447139045 /nfs/dbraw/zinc/13/90/45/447139045.db2.gz VAFCSSWJQMPGTD-SFHVURJKSA-N 2 2 348.466 1.865 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000375908042 447139054 /nfs/dbraw/zinc/13/90/54/447139054.db2.gz VAFCSSWJQMPGTD-SFHVURJKSA-N 2 2 348.466 1.865 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372569316 447149077 /nfs/dbraw/zinc/14/90/77/447149077.db2.gz BNYGUSXOAVXCQJ-SZMVWBNQSA-N 2 2 348.491 1.547 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372569316 447149083 /nfs/dbraw/zinc/14/90/83/447149083.db2.gz BNYGUSXOAVXCQJ-SZMVWBNQSA-N 2 2 348.491 1.547 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372569316 447149088 /nfs/dbraw/zinc/14/90/88/447149088.db2.gz BNYGUSXOAVXCQJ-SZMVWBNQSA-N 2 2 348.491 1.547 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372569316 447149094 /nfs/dbraw/zinc/14/90/94/447149094.db2.gz BNYGUSXOAVXCQJ-SZMVWBNQSA-N 2 2 348.491 1.547 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000455441255 447131646 /nfs/dbraw/zinc/13/16/46/447131646.db2.gz MNZDVGNBEODHHO-FUHWJXTLSA-N 2 2 348.491 1.618 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cn21 ZINC000377594002 447231007 /nfs/dbraw/zinc/23/10/07/447231007.db2.gz UWEFPLCWIXESJW-JKSUJKDBSA-N 2 2 343.431 1.305 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cn21 ZINC000377594002 447231015 /nfs/dbraw/zinc/23/10/15/447231015.db2.gz UWEFPLCWIXESJW-JKSUJKDBSA-N 2 2 343.431 1.305 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1C ZINC000377692156 447298464 /nfs/dbraw/zinc/29/84/64/447298464.db2.gz AZVPUPIOSNGUQP-WMZOPIPTSA-N 2 2 342.443 1.989 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1C ZINC000377692156 447298467 /nfs/dbraw/zinc/29/84/67/447298467.db2.gz AZVPUPIOSNGUQP-WMZOPIPTSA-N 2 2 342.443 1.989 20 0 EDADLP CC(C)[NH2+]C1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000377636049 447262823 /nfs/dbraw/zinc/26/28/23/447262823.db2.gz DFQKCLMWHIWCST-UHFFFAOYSA-N 2 2 342.447 1.939 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000376093074 447264450 /nfs/dbraw/zinc/26/44/50/447264450.db2.gz HLBXLAGEJMFPDL-KGLIPLIRSA-N 2 2 339.436 1.631 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000376093074 447264456 /nfs/dbraw/zinc/26/44/56/447264456.db2.gz HLBXLAGEJMFPDL-KGLIPLIRSA-N 2 2 339.436 1.631 20 0 EDADLP CC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)c1 ZINC000377639745 447264812 /nfs/dbraw/zinc/26/48/12/447264812.db2.gz KOWSBKHSJBBKFY-QGZVFWFLSA-N 2 2 346.475 1.468 20 0 EDADLP CC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)c1 ZINC000377639745 447264814 /nfs/dbraw/zinc/26/48/14/447264814.db2.gz KOWSBKHSJBBKFY-QGZVFWFLSA-N 2 2 346.475 1.468 20 0 EDADLP COC(=O)C[C@@H](C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377645340 447268393 /nfs/dbraw/zinc/26/83/93/447268393.db2.gz IDYZYAMCQVRBOE-AWEZNQCLSA-N 2 2 339.480 1.251 20 0 EDADLP COc1cc[nH+]c(CN2CCC[N@@H+](C3CCOCC3)CC2)c1OC ZINC000372757169 447271570 /nfs/dbraw/zinc/27/15/70/447271570.db2.gz OIQORKGHPSMJQX-UHFFFAOYSA-N 2 2 335.448 1.786 20 0 EDADLP COc1cc[nH+]c(CN2CCC[N@H+](C3CCOCC3)CC2)c1OC ZINC000372757169 447271577 /nfs/dbraw/zinc/27/15/77/447271577.db2.gz OIQORKGHPSMJQX-UHFFFAOYSA-N 2 2 335.448 1.786 20 0 EDADLP CNc1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)[nH+]c2ccccc21 ZINC000450331986 447457941 /nfs/dbraw/zinc/45/79/41/447457941.db2.gz STACWLVZGZYYOZ-OAHLLOKOSA-N 2 2 341.459 2.220 20 0 EDADLP CO[C@H](CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C1CC1 ZINC000458866993 447491132 /nfs/dbraw/zinc/49/11/32/447491132.db2.gz VJGDLZHTMHVWMM-WMLDXEAASA-N 2 2 338.496 1.221 20 0 EDADLP CO[C@H](CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C1CC1 ZINC000458866993 447491140 /nfs/dbraw/zinc/49/11/40/447491140.db2.gz VJGDLZHTMHVWMM-WMLDXEAASA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)Cn1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392764974 447527052 /nfs/dbraw/zinc/52/70/52/447527052.db2.gz SWFLGHCAGSNLCH-HZPDHXFCSA-N 2 2 348.495 1.014 20 0 EDADLP CC(C)Cn1ncnc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392764974 447527053 /nfs/dbraw/zinc/52/70/53/447527053.db2.gz SWFLGHCAGSNLCH-HZPDHXFCSA-N 2 2 348.495 1.014 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000459023086 447542437 /nfs/dbraw/zinc/54/24/37/447542437.db2.gz YLCPTPDQPINOIA-XHSDSOJGSA-N 2 2 349.479 1.686 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000459023086 447542440 /nfs/dbraw/zinc/54/24/40/447542440.db2.gz YLCPTPDQPINOIA-XHSDSOJGSA-N 2 2 349.479 1.686 20 0 EDADLP Cc1ccc[nH+]c1CCCNc1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000450722396 447556780 /nfs/dbraw/zinc/55/67/80/447556780.db2.gz BFNKPQVGVFOQMB-HNNXBMFYSA-N 2 2 327.432 1.659 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c[nH+]2)CC1 ZINC000495732832 447566004 /nfs/dbraw/zinc/56/60/04/447566004.db2.gz DBPHAABPUYSDRO-GJZGRUSLSA-N 2 2 347.463 1.865 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c[nH+]2)CC1 ZINC000495732832 447566010 /nfs/dbraw/zinc/56/60/10/447566010.db2.gz DBPHAABPUYSDRO-GJZGRUSLSA-N 2 2 347.463 1.865 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400421665 447572463 /nfs/dbraw/zinc/57/24/63/447572463.db2.gz XBEXCGWOIPVUMV-JYJNAYRXSA-N 2 2 340.512 1.467 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400421665 447572464 /nfs/dbraw/zinc/57/24/64/447572464.db2.gz XBEXCGWOIPVUMV-JYJNAYRXSA-N 2 2 340.512 1.467 20 0 EDADLP COC(=O)C1(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC1 ZINC000450964498 447637174 /nfs/dbraw/zinc/63/71/74/447637174.db2.gz FUXWDTRYKBDTSE-GOEBONIOSA-N 2 2 334.464 1.688 20 0 EDADLP COC(=O)C1(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC1 ZINC000450964498 447637180 /nfs/dbraw/zinc/63/71/80/447637180.db2.gz FUXWDTRYKBDTSE-GOEBONIOSA-N 2 2 334.464 1.688 20 0 EDADLP COC(=O)C1(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000450964498 447637183 /nfs/dbraw/zinc/63/71/83/447637183.db2.gz FUXWDTRYKBDTSE-GOEBONIOSA-N 2 2 334.464 1.688 20 0 EDADLP COC(=O)C1(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000450964498 447637188 /nfs/dbraw/zinc/63/71/88/447637188.db2.gz FUXWDTRYKBDTSE-GOEBONIOSA-N 2 2 334.464 1.688 20 0 EDADLP CC[C@H](C)[NH+]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000450860870 447597755 /nfs/dbraw/zinc/59/77/55/447597755.db2.gz OXWBORTVRXSLSX-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404300917 447597838 /nfs/dbraw/zinc/59/78/38/447597838.db2.gz ZIQIBUJJNXXLOR-YPMHNXCESA-N 2 2 339.461 1.923 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404300917 447597846 /nfs/dbraw/zinc/59/78/46/447597846.db2.gz ZIQIBUJJNXXLOR-YPMHNXCESA-N 2 2 339.461 1.923 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000457633655 447603980 /nfs/dbraw/zinc/60/39/80/447603980.db2.gz HBKAEOZBDDDVQI-QGZVFWFLSA-N 2 2 339.528 1.138 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000457633655 447603988 /nfs/dbraw/zinc/60/39/88/447603988.db2.gz HBKAEOZBDDDVQI-QGZVFWFLSA-N 2 2 339.528 1.138 20 0 EDADLP COCCOC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450926680 447622150 /nfs/dbraw/zinc/62/21/50/447622150.db2.gz NFGDTLZTFVUHRQ-NVXWUHKLSA-N 2 2 337.464 1.423 20 0 EDADLP COCCOC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000450926680 447622159 /nfs/dbraw/zinc/62/21/59/447622159.db2.gz NFGDTLZTFVUHRQ-NVXWUHKLSA-N 2 2 337.464 1.423 20 0 EDADLP CC[N@H+](CCCNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416867708 447698901 /nfs/dbraw/zinc/69/89/01/447698901.db2.gz DESMIJOBQKZLBM-KRWDZBQOSA-N 2 2 334.464 1.662 20 0 EDADLP CC[N@@H+](CCCNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416867708 447698906 /nfs/dbraw/zinc/69/89/06/447698906.db2.gz DESMIJOBQKZLBM-KRWDZBQOSA-N 2 2 334.464 1.662 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000496062787 447700637 /nfs/dbraw/zinc/70/06/37/447700637.db2.gz FSSDPOPEAQDEGY-KFWWJZLASA-N 2 2 329.485 1.534 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000496062787 447700642 /nfs/dbraw/zinc/70/06/42/447700642.db2.gz FSSDPOPEAQDEGY-KFWWJZLASA-N 2 2 329.485 1.534 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000496062787 447700647 /nfs/dbraw/zinc/70/06/47/447700647.db2.gz FSSDPOPEAQDEGY-KFWWJZLASA-N 2 2 329.485 1.534 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000496062787 447700652 /nfs/dbraw/zinc/70/06/52/447700652.db2.gz FSSDPOPEAQDEGY-KFWWJZLASA-N 2 2 329.485 1.534 20 0 EDADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416910717 447705865 /nfs/dbraw/zinc/70/58/65/447705865.db2.gz HXMVDNJWAKNDJH-YOEHRIQHSA-N 2 2 327.432 1.729 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000495947108 447665512 /nfs/dbraw/zinc/66/55/12/447665512.db2.gz OZZOLPWWFCILPE-FMKPAKJESA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000495947108 447665517 /nfs/dbraw/zinc/66/55/17/447665517.db2.gz OZZOLPWWFCILPE-FMKPAKJESA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000495947108 447665524 /nfs/dbraw/zinc/66/55/24/447665524.db2.gz OZZOLPWWFCILPE-FMKPAKJESA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000495947108 447665532 /nfs/dbraw/zinc/66/55/32/447665532.db2.gz OZZOLPWWFCILPE-FMKPAKJESA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1CCO ZINC000428527714 447707410 /nfs/dbraw/zinc/70/74/10/447707410.db2.gz YLFGSRQGADLIQE-OAHLLOKOSA-N 2 2 328.416 1.070 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1CCO ZINC000428527714 447707414 /nfs/dbraw/zinc/70/74/14/447707414.db2.gz YLFGSRQGADLIQE-OAHLLOKOSA-N 2 2 328.416 1.070 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416925988 447711195 /nfs/dbraw/zinc/71/11/95/447711195.db2.gz UHGIJEREZQHGLU-UHOFOFEASA-N 2 2 345.422 1.946 20 0 EDADLP CC[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000451254837 447712404 /nfs/dbraw/zinc/71/24/04/447712404.db2.gz LZTMJFVWBCHZPU-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP CC[C@H]1[C@@H](CO)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000451254837 447712413 /nfs/dbraw/zinc/71/24/13/447712413.db2.gz LZTMJFVWBCHZPU-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000416941095 447717756 /nfs/dbraw/zinc/71/77/56/447717756.db2.gz QAPPSSZWOGVDCC-HOCLYGCPSA-N 2 2 331.464 1.999 20 0 EDADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422833927 447763777 /nfs/dbraw/zinc/76/37/77/447763777.db2.gz ZESWQGJRAOFXJM-MOPGFXCFSA-N 3 2 333.476 1.484 20 0 EDADLP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422719310 447728104 /nfs/dbraw/zinc/72/81/04/447728104.db2.gz YKJZZSCCNZPVBO-APWZRJJASA-N 3 2 335.492 1.731 20 0 EDADLP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422719310 447728108 /nfs/dbraw/zinc/72/81/08/447728108.db2.gz YKJZZSCCNZPVBO-APWZRJJASA-N 3 2 335.492 1.731 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000422727157 447731325 /nfs/dbraw/zinc/73/13/25/447731325.db2.gz GYFYIRFUFLTSNX-IXDOHACOSA-N 2 2 335.448 1.181 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2Cc3ccccc3O[C@@H](C)C2)CC1 ZINC000429157097 447732095 /nfs/dbraw/zinc/73/20/95/447732095.db2.gz UIXKVUGJNDGRKA-JKSUJKDBSA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2Cc3ccccc3O[C@@H](C)C2)CC1 ZINC000429157097 447732098 /nfs/dbraw/zinc/73/20/98/447732098.db2.gz UIXKVUGJNDGRKA-JKSUJKDBSA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2Cc3ccccc3O[C@H](C)C2)CC1 ZINC000429157094 447732335 /nfs/dbraw/zinc/73/23/35/447732335.db2.gz UIXKVUGJNDGRKA-CVEARBPZSA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2Cc3ccccc3O[C@H](C)C2)CC1 ZINC000429157094 447732340 /nfs/dbraw/zinc/73/23/40/447732340.db2.gz UIXKVUGJNDGRKA-CVEARBPZSA-N 2 2 331.460 1.822 20 0 EDADLP CCn1nc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1C1CC1 ZINC000429195783 447735692 /nfs/dbraw/zinc/73/56/92/447735692.db2.gz DIFPGTMPKHKTKM-UHFFFAOYSA-N 2 2 348.495 1.928 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422757595 447741313 /nfs/dbraw/zinc/74/13/13/447741313.db2.gz JTPJPGGDHDPFFG-XUWVNRHRSA-N 2 2 325.497 1.626 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422757595 447741318 /nfs/dbraw/zinc/74/13/18/447741318.db2.gz JTPJPGGDHDPFFG-XUWVNRHRSA-N 2 2 325.497 1.626 20 0 EDADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422767234 447744382 /nfs/dbraw/zinc/74/43/82/447744382.db2.gz MKZCCCGXMJZSQV-PMACEKPBSA-N 3 2 345.487 1.375 20 0 EDADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422767234 447744388 /nfs/dbraw/zinc/74/43/88/447744388.db2.gz MKZCCCGXMJZSQV-PMACEKPBSA-N 2 2 345.487 1.375 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422794721 447752365 /nfs/dbraw/zinc/75/23/65/447752365.db2.gz URSWCSIQVOYFFI-RHSMWYFYSA-N 2 2 332.423 1.911 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000422813778 447756771 /nfs/dbraw/zinc/75/67/71/447756771.db2.gz ZUGACYSTIGOAMC-NZSAHSFTSA-N 2 2 333.476 1.417 20 0 EDADLP Cc1cc(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)on1 ZINC000429887573 447759262 /nfs/dbraw/zinc/75/92/62/447759262.db2.gz QZZUNAZVAKGXEN-KRWDZBQOSA-N 2 2 339.399 1.414 20 0 EDADLP Cc1cccc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000452086411 447814202 /nfs/dbraw/zinc/81/42/02/447814202.db2.gz XORLBHVDXXCJHL-MRXNPFEDSA-N 2 2 333.476 1.873 20 0 EDADLP CNC(=O)NC(=O)CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107764 447815371 /nfs/dbraw/zinc/81/53/71/447815371.db2.gz CDSRNJNXNSVDSI-UHFFFAOYSA-N 2 2 338.374 1.181 20 0 EDADLP CNC(=O)NC(=O)CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107764 447815374 /nfs/dbraw/zinc/81/53/74/447815374.db2.gz CDSRNJNXNSVDSI-UHFFFAOYSA-N 2 2 338.374 1.181 20 0 EDADLP C(N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1([NH+]2CCSCC2)CCCC1 ZINC000422844674 447767249 /nfs/dbraw/zinc/76/72/49/447767249.db2.gz MPZNUEJZUDYAHA-IRXDYDNUSA-N 2 2 339.549 1.705 20 0 EDADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1(N2CCSCC2)CCCC1 ZINC000422844674 447767254 /nfs/dbraw/zinc/76/72/54/447767254.db2.gz MPZNUEJZUDYAHA-IRXDYDNUSA-N 2 2 339.549 1.705 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000422844039 447767819 /nfs/dbraw/zinc/76/78/19/447767819.db2.gz KQGWZFNOOZWIGD-JKSUJKDBSA-N 2 2 327.538 1.705 20 0 EDADLP O=C(CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCc2ccccc21 ZINC000422952499 447779527 /nfs/dbraw/zinc/77/95/27/447779527.db2.gz COGGVKLFPIVJLX-ICSRJNTNSA-N 2 2 343.471 1.713 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)N1CCCC1)C1CC1 ZINC000496435598 447781240 /nfs/dbraw/zinc/78/12/40/447781240.db2.gz OLVLZLOTNGVJHP-IAGOWNOFSA-N 2 2 339.480 1.528 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)N1CCCC1)C1CC1 ZINC000496435598 447781243 /nfs/dbraw/zinc/78/12/43/447781243.db2.gz OLVLZLOTNGVJHP-IAGOWNOFSA-N 2 2 339.480 1.528 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCC1)C1CC1 ZINC000496435598 447781246 /nfs/dbraw/zinc/78/12/46/447781246.db2.gz OLVLZLOTNGVJHP-IAGOWNOFSA-N 2 2 339.480 1.528 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCC1)C1CC1 ZINC000496435598 447781247 /nfs/dbraw/zinc/78/12/47/447781247.db2.gz OLVLZLOTNGVJHP-IAGOWNOFSA-N 2 2 339.480 1.528 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000430592002 447781657 /nfs/dbraw/zinc/78/16/57/447781657.db2.gz LLGQNLXUFAYCHQ-KGLIPLIRSA-N 2 2 332.448 1.665 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000430592002 447781661 /nfs/dbraw/zinc/78/16/61/447781661.db2.gz LLGQNLXUFAYCHQ-KGLIPLIRSA-N 2 2 332.448 1.665 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430591852 447781696 /nfs/dbraw/zinc/78/16/96/447781696.db2.gz LAIHRNUPAZSUGX-UHFFFAOYSA-N 2 2 327.856 1.882 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430591852 447781701 /nfs/dbraw/zinc/78/17/01/447781701.db2.gz LAIHRNUPAZSUGX-UHFFFAOYSA-N 2 2 327.856 1.882 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430969559 447788342 /nfs/dbraw/zinc/78/83/42/447788342.db2.gz FQSOMJPLLWZYHL-YCPHGPKFSA-N 2 2 349.475 1.940 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430969559 447788347 /nfs/dbraw/zinc/78/83/47/447788347.db2.gz FQSOMJPLLWZYHL-YCPHGPKFSA-N 2 2 349.475 1.940 20 0 EDADLP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423034111 447795672 /nfs/dbraw/zinc/79/56/72/447795672.db2.gz XIIHQWSWIALNTF-NJAFHUGGSA-N 3 2 332.492 1.006 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH2+]CC1 ZINC000423078150 447800026 /nfs/dbraw/zinc/80/00/26/447800026.db2.gz VFXYBFHNOSKUCQ-RDJZCZTQSA-N 3 2 337.508 1.914 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC[NH2+]CC1 ZINC000423078150 447800028 /nfs/dbraw/zinc/80/00/28/447800028.db2.gz VFXYBFHNOSKUCQ-RDJZCZTQSA-N 3 2 337.508 1.914 20 0 EDADLP Cc1nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000530429283 447885232 /nfs/dbraw/zinc/88/52/32/447885232.db2.gz XOSANTOCZHWLLM-MRXNPFEDSA-N 2 2 326.448 2.180 20 0 EDADLP Cc1nc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000530429283 447885238 /nfs/dbraw/zinc/88/52/38/447885238.db2.gz XOSANTOCZHWLLM-MRXNPFEDSA-N 2 2 326.448 2.180 20 0 EDADLP Cc1nc(N(C)C)nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000530429283 447885242 /nfs/dbraw/zinc/88/52/42/447885242.db2.gz XOSANTOCZHWLLM-MRXNPFEDSA-N 2 2 326.448 2.180 20 0 EDADLP Cc1nc(N(C)C)nc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000530429283 447885247 /nfs/dbraw/zinc/88/52/47/447885247.db2.gz XOSANTOCZHWLLM-MRXNPFEDSA-N 2 2 326.448 2.180 20 0 EDADLP C[C@H]1C[C@H](O)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000530461027 447891879 /nfs/dbraw/zinc/89/18/79/447891879.db2.gz QNTOUBVGYFVGQS-HOTGVXAUSA-N 2 2 338.496 1.101 20 0 EDADLP C[NH+](C)CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000523659860 447896884 /nfs/dbraw/zinc/89/68/84/447896884.db2.gz HVRVPVLNRBKKQU-UHFFFAOYSA-N 2 2 328.420 1.466 20 0 EDADLP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000496823114 447943464 /nfs/dbraw/zinc/94/34/64/447943464.db2.gz XSEACNIIMLGFFL-MRXNPFEDSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000496823114 447943468 /nfs/dbraw/zinc/94/34/68/447943468.db2.gz XSEACNIIMLGFFL-MRXNPFEDSA-N 2 2 341.496 1.822 20 0 EDADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496826685 447946587 /nfs/dbraw/zinc/94/65/87/447946587.db2.gz HHIHROMUBFZLQH-YJBOKZPZSA-N 2 2 341.496 1.822 20 0 EDADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496826685 447946590 /nfs/dbraw/zinc/94/65/90/447946590.db2.gz HHIHROMUBFZLQH-YJBOKZPZSA-N 2 2 341.496 1.822 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000576000236 447947746 /nfs/dbraw/zinc/94/77/46/447947746.db2.gz YNYMLETWIZTZOE-DOTOQJQBSA-N 2 2 338.448 1.342 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000576000236 447947751 /nfs/dbraw/zinc/94/77/51/447947751.db2.gz YNYMLETWIZTZOE-DOTOQJQBSA-N 2 2 338.448 1.342 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000497205023 447957716 /nfs/dbraw/zinc/95/77/16/447957716.db2.gz TVVROXDEFBBHFY-HUUCEWRRSA-N 2 2 327.469 1.431 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000497205023 447957720 /nfs/dbraw/zinc/95/77/20/447957720.db2.gz TVVROXDEFBBHFY-HUUCEWRRSA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000497205023 447957724 /nfs/dbraw/zinc/95/77/24/447957724.db2.gz TVVROXDEFBBHFY-HUUCEWRRSA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000497205023 447957727 /nfs/dbraw/zinc/95/77/27/447957727.db2.gz TVVROXDEFBBHFY-HUUCEWRRSA-N 2 2 327.469 1.431 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])Oc1cccc(C)c1 ZINC000575900104 447924651 /nfs/dbraw/zinc/92/46/51/447924651.db2.gz DDMZTLAIJWSLHO-JKSUJKDBSA-N 2 2 334.464 1.437 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])Oc1cccc(C)c1 ZINC000575900104 447924659 /nfs/dbraw/zinc/92/46/59/447924659.db2.gz DDMZTLAIJWSLHO-JKSUJKDBSA-N 2 2 334.464 1.437 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c2[nH+]ccn21 ZINC000575900370 447924992 /nfs/dbraw/zinc/92/49/92/447924992.db2.gz FPPCHOAOGWYUGB-ARLBYUKCSA-N 2 2 325.416 1.944 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(CC)C[C@H]1CCC[NH+]1CC ZINC000569954908 447927384 /nfs/dbraw/zinc/92/73/84/447927384.db2.gz BGYAVNKQPDCISU-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(CC)C[C@H]1CCC[NH+]1CC ZINC000569954908 447927389 /nfs/dbraw/zinc/92/73/89/447927389.db2.gz BGYAVNKQPDCISU-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N(CC)C[C@H]1CCC[N@@H+]1CC ZINC000569954908 447927394 /nfs/dbraw/zinc/92/73/94/447927394.db2.gz BGYAVNKQPDCISU-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N(CC)C[C@H]1CCC[N@H+]1CC ZINC000569954908 447927397 /nfs/dbraw/zinc/92/73/97/447927397.db2.gz BGYAVNKQPDCISU-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000552028130 447930089 /nfs/dbraw/zinc/93/00/89/447930089.db2.gz KBOCJLFULNBOHG-LJQANCHMSA-N 2 2 340.427 1.118 20 0 EDADLP CCCN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC[NH2+]C1 ZINC000570028317 447935438 /nfs/dbraw/zinc/93/54/38/447935438.db2.gz GQVZTPKYVYWKBZ-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP CC[C@H](Nc1ccc(N2CCN(C(=O)OC)CC2)[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000497227480 447982357 /nfs/dbraw/zinc/98/23/57/447982357.db2.gz NTZWZPDCUJLDFG-HOTGVXAUSA-N 2 2 347.463 1.913 20 0 EDADLP CCC(CC)[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[NH+]1CCOCC1 ZINC000553257328 447984097 /nfs/dbraw/zinc/98/40/97/447984097.db2.gz ZYUGSWDULOXJOF-INIZCTEOSA-N 2 2 325.497 1.581 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000553455156 447994644 /nfs/dbraw/zinc/99/46/44/447994644.db2.gz IQPPWUUHQZMJRJ-OAHLLOKOSA-N 2 2 341.459 2.288 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000553455156 447994647 /nfs/dbraw/zinc/99/46/47/447994647.db2.gz IQPPWUUHQZMJRJ-OAHLLOKOSA-N 2 2 341.459 2.288 20 0 EDADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000570411573 448009083 /nfs/dbraw/zinc/00/90/83/448009083.db2.gz OUQSBTGGBQCCID-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NCC[N@H+]1CC=CCC1)C(F)(F)F ZINC000570460334 448019255 /nfs/dbraw/zinc/01/92/55/448019255.db2.gz RPQKARPENMNBSV-LBPRGKRZSA-N 2 2 330.354 1.834 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NCC[N@@H+]1CC=CCC1)C(F)(F)F ZINC000570460334 448019258 /nfs/dbraw/zinc/01/92/58/448019258.db2.gz RPQKARPENMNBSV-LBPRGKRZSA-N 2 2 330.354 1.834 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496906612 448023374 /nfs/dbraw/zinc/02/33/74/448023374.db2.gz GMVAIUYPJMFADQ-WMLDXEAASA-N 2 2 329.485 1.726 20 0 EDADLP C[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)Cn1cc[nH+]c1 ZINC000570582415 448033599 /nfs/dbraw/zinc/03/35/99/448033599.db2.gz VROPIDRIOJRSGK-HOCLYGCPSA-N 2 2 336.505 1.853 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](CNc2cc(NC[C@@H]3CCC[C@H]([NH3+])C3)nc[nH+]2)C1 ZINC000570739937 448058595 /nfs/dbraw/zinc/05/85/95/448058595.db2.gz GRMPUONERDPPHZ-SYMSYNOKSA-N 3 2 332.496 2.335 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](CNc2cc(NC[C@@H]3CCC[C@H]([NH3+])C3)[nH+]cn2)C1 ZINC000570739937 448058601 /nfs/dbraw/zinc/05/86/01/448058601.db2.gz GRMPUONERDPPHZ-SYMSYNOKSA-N 3 2 332.496 2.335 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000525990279 448073188 /nfs/dbraw/zinc/07/31/88/448073188.db2.gz BMGATXJHUMQYRW-UHFFFAOYSA-N 2 2 341.459 1.739 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000576528053 448078232 /nfs/dbraw/zinc/07/82/32/448078232.db2.gz GFUKBXKJDVDRKL-ZOBUZTSGSA-N 2 2 336.480 1.842 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000576528053 448078238 /nfs/dbraw/zinc/07/82/38/448078238.db2.gz GFUKBXKJDVDRKL-ZOBUZTSGSA-N 2 2 336.480 1.842 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000576528053 448078242 /nfs/dbraw/zinc/07/82/42/448078242.db2.gz GFUKBXKJDVDRKL-ZOBUZTSGSA-N 2 2 336.480 1.842 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000576528053 448078250 /nfs/dbraw/zinc/07/82/50/448078250.db2.gz GFUKBXKJDVDRKL-ZOBUZTSGSA-N 2 2 336.480 1.842 20 0 EDADLP COc1cc(C[NH2+]C2CC([NH+](C)C)C2)cc(Cl)c1OCC(N)=O ZINC000570863564 448078376 /nfs/dbraw/zinc/07/83/76/448078376.db2.gz MHKRVBUFANIVQA-UHFFFAOYSA-N 2 2 341.839 1.395 20 0 EDADLP FC(F)(F)c1ccc([C@H]2C[N@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000571047404 448098980 /nfs/dbraw/zinc/09/89/80/448098980.db2.gz WQZVTXXSEATDPL-MRXNPFEDSA-N 2 2 343.393 1.984 20 0 EDADLP FC(F)(F)c1ccc([C@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000571047404 448098984 /nfs/dbraw/zinc/09/89/84/448098984.db2.gz WQZVTXXSEATDPL-MRXNPFEDSA-N 2 2 343.393 1.984 20 0 EDADLP COc1cccc(C[C@H](C)[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000571634087 448182556 /nfs/dbraw/zinc/18/25/56/448182556.db2.gz IEKZLFHIICJOGR-CUSZFKRNSA-N 2 2 336.476 1.686 20 0 EDADLP COc1cccc(C[C@H](C)[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000571634087 448182561 /nfs/dbraw/zinc/18/25/61/448182561.db2.gz IEKZLFHIICJOGR-CUSZFKRNSA-N 2 2 336.476 1.686 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cccc2c[nH]nc21 ZINC000527236380 448190459 /nfs/dbraw/zinc/19/04/59/448190459.db2.gz GZDOGTYJHKUINH-HOTGVXAUSA-N 2 2 342.422 1.999 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577065915 448203814 /nfs/dbraw/zinc/20/38/14/448203814.db2.gz GLDIGNKDZCGRKS-BMFZPTHFSA-N 2 2 335.473 1.055 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CSC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577065915 448203819 /nfs/dbraw/zinc/20/38/19/448203819.db2.gz GLDIGNKDZCGRKS-BMFZPTHFSA-N 2 2 335.473 1.055 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000514794967 448204814 /nfs/dbraw/zinc/20/48/14/448204814.db2.gz FXNSZYJEDPDNLY-HZPDHXFCSA-N 2 2 328.416 1.379 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000514794967 448204820 /nfs/dbraw/zinc/20/48/20/448204820.db2.gz FXNSZYJEDPDNLY-HZPDHXFCSA-N 2 2 328.416 1.379 20 0 EDADLP CC[C@@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)c1[nH]cc[nH+]1 ZINC000527485445 448237449 /nfs/dbraw/zinc/23/74/49/448237449.db2.gz PCXZTAMHINRKKZ-CYBMUJFWSA-N 2 2 328.420 1.438 20 0 EDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000571826930 448212861 /nfs/dbraw/zinc/21/28/61/448212861.db2.gz DUYOCGXZSWHKLR-UHFFFAOYSA-N 3 2 343.475 1.497 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1OC ZINC000571843398 448214962 /nfs/dbraw/zinc/21/49/62/448214962.db2.gz QSKDSLCYQZMZOQ-QZTJIDSGSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccccc1OC ZINC000571843398 448214966 /nfs/dbraw/zinc/21/49/66/448214966.db2.gz QSKDSLCYQZMZOQ-QZTJIDSGSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000571843398 448214971 /nfs/dbraw/zinc/21/49/71/448214971.db2.gz QSKDSLCYQZMZOQ-QZTJIDSGSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000571843398 448214976 /nfs/dbraw/zinc/21/49/76/448214976.db2.gz QSKDSLCYQZMZOQ-QZTJIDSGSA-N 2 2 336.476 1.641 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000571941318 448241650 /nfs/dbraw/zinc/24/16/50/448241650.db2.gz BTWCIGQFOFHWJK-ZDUSSCGKSA-N 2 2 330.354 1.202 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(F)(F)c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000571941318 448241656 /nfs/dbraw/zinc/24/16/56/448241656.db2.gz BTWCIGQFOFHWJK-ZDUSSCGKSA-N 2 2 330.354 1.202 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCOCC1 ZINC000532588469 448277393 /nfs/dbraw/zinc/27/73/93/448277393.db2.gz HRNADSHAHDFCSQ-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCOCC1 ZINC000532588469 448277399 /nfs/dbraw/zinc/27/73/99/448277399.db2.gz HRNADSHAHDFCSQ-UHFFFAOYSA-N 2 2 337.489 1.503 20 0 EDADLP CC(C)(C)OC(=O)NCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000492791757 448293701 /nfs/dbraw/zinc/29/37/01/448293701.db2.gz ODUWHROXYUJBMB-HNNXBMFYSA-N 2 2 327.469 1.555 20 0 EDADLP CC(C)(C)OC(=O)NCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000492791757 448293707 /nfs/dbraw/zinc/29/37/07/448293707.db2.gz ODUWHROXYUJBMB-HNNXBMFYSA-N 2 2 327.469 1.555 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000515374093 448302130 /nfs/dbraw/zinc/30/21/30/448302130.db2.gz YKRPBUGLZMNPKG-OAHLLOKOSA-N 2 2 341.415 1.263 20 0 EDADLP Cc1cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)ccn1 ZINC000527636645 448327932 /nfs/dbraw/zinc/32/79/32/448327932.db2.gz PGQJWWYFLFLNLR-UHFFFAOYSA-N 2 2 326.448 1.482 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC12CCOCC2 ZINC000572283995 448336235 /nfs/dbraw/zinc/33/62/35/448336235.db2.gz MKROPWUCXVYABA-INIZCTEOSA-N 2 2 340.427 1.700 20 0 EDADLP CC(=O)[C@H](NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)C(C)C ZINC000533270580 448381844 /nfs/dbraw/zinc/38/18/44/448381844.db2.gz ITMIDHHWEVRYDW-GOSISDBHSA-N 2 2 325.497 1.768 20 0 EDADLP CC(=O)[C@H](NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C(C)C ZINC000533270580 448381848 /nfs/dbraw/zinc/38/18/48/448381848.db2.gz ITMIDHHWEVRYDW-GOSISDBHSA-N 2 2 325.497 1.768 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000577817448 448390657 /nfs/dbraw/zinc/39/06/57/448390657.db2.gz DLFUSEJAZWLMMP-STQMWFEESA-N 2 2 334.386 1.851 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000577817448 448390662 /nfs/dbraw/zinc/39/06/62/448390662.db2.gz DLFUSEJAZWLMMP-STQMWFEESA-N 2 2 334.386 1.851 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000577817448 448390665 /nfs/dbraw/zinc/39/06/65/448390665.db2.gz DLFUSEJAZWLMMP-STQMWFEESA-N 2 2 334.386 1.851 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000577817448 448390669 /nfs/dbraw/zinc/39/06/69/448390669.db2.gz DLFUSEJAZWLMMP-STQMWFEESA-N 2 2 334.386 1.851 20 0 EDADLP [NH3+]C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000577830901 448394733 /nfs/dbraw/zinc/39/47/33/448394733.db2.gz JJUZTWIGSWZBBA-INIZCTEOSA-N 2 2 331.464 1.952 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]2CCc3ccccc3N2)C[C@H](C)O1 ZINC000577859629 448404542 /nfs/dbraw/zinc/40/45/42/448404542.db2.gz FQBVBUHUUQNFGE-UKBAYJJMSA-N 2 2 347.503 1.863 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC[C@H]2CCc3ccccc3N2)C[C@H](C)O1 ZINC000577859629 448404546 /nfs/dbraw/zinc/40/45/46/448404546.db2.gz FQBVBUHUUQNFGE-UKBAYJJMSA-N 2 2 347.503 1.863 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000572603878 448420475 /nfs/dbraw/zinc/42/04/75/448420475.db2.gz PMJFEZGONRIXEK-BZUAXINKSA-N 2 2 332.448 1.743 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000572603878 448420479 /nfs/dbraw/zinc/42/04/79/448420479.db2.gz PMJFEZGONRIXEK-BZUAXINKSA-N 2 2 332.448 1.743 20 0 EDADLP C[C@@]1(NC(=O)NCC[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000566299455 448440033 /nfs/dbraw/zinc/44/00/33/448440033.db2.gz BBTNVSGOTXLXRO-LJQANCHMSA-N 2 2 346.475 1.282 20 0 EDADLP C[C@@]1(NC(=O)NCC[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000566299455 448440036 /nfs/dbraw/zinc/44/00/36/448440036.db2.gz BBTNVSGOTXLXRO-LJQANCHMSA-N 2 2 346.475 1.282 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000528135794 448442532 /nfs/dbraw/zinc/44/25/32/448442532.db2.gz ZPBDBPNVCDYUEN-GOSISDBHSA-N 2 2 347.463 1.105 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000528135794 448442535 /nfs/dbraw/zinc/44/25/35/448442535.db2.gz ZPBDBPNVCDYUEN-GOSISDBHSA-N 2 2 347.463 1.105 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000534326194 448447348 /nfs/dbraw/zinc/44/73/48/448447348.db2.gz RLFDIEYMAKGTNW-UHFFFAOYSA-N 2 2 333.480 1.660 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000534326194 448447354 /nfs/dbraw/zinc/44/73/54/448447354.db2.gz RLFDIEYMAKGTNW-UHFFFAOYSA-N 2 2 333.480 1.660 20 0 EDADLP Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000578065565 448452531 /nfs/dbraw/zinc/45/25/31/448452531.db2.gz RPECTAMBFFBERB-OAHLLOKOSA-N 2 2 333.436 1.882 20 0 EDADLP Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000578065565 448452533 /nfs/dbraw/zinc/45/25/33/448452533.db2.gz RPECTAMBFFBERB-OAHLLOKOSA-N 2 2 333.436 1.882 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862913 448471868 /nfs/dbraw/zinc/47/18/68/448471868.db2.gz WRXFSNOSNNSSQW-OAHLLOKOSA-N 2 2 334.464 1.889 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CCN2C1=O ZINC000566490205 448490154 /nfs/dbraw/zinc/49/01/54/448490154.db2.gz DUBKYZAOAKEOJE-AEFFLSMTSA-N 2 2 340.402 1.632 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CCN2C1=O ZINC000566490205 448490161 /nfs/dbraw/zinc/49/01/61/448490161.db2.gz DUBKYZAOAKEOJE-AEFFLSMTSA-N 2 2 340.402 1.632 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCCOc1ccccc1 ZINC000591867343 448511675 /nfs/dbraw/zinc/51/16/75/448511675.db2.gz OYULUVXRFLGKBG-MRXNPFEDSA-N 2 2 328.416 1.715 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCCOc1ccccc1 ZINC000591867343 448511680 /nfs/dbraw/zinc/51/16/80/448511680.db2.gz OYULUVXRFLGKBG-MRXNPFEDSA-N 2 2 328.416 1.715 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3cc(F)cc(F)c3)C[C@H]2[NH3+])cn1 ZINC000578314704 448512456 /nfs/dbraw/zinc/51/24/56/448512456.db2.gz FSVWBEUKAUUCAT-JKSUJKDBSA-N 2 2 349.385 1.454 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3cc(F)cc(F)c3)C[C@H]2[NH3+])cn1 ZINC000578314704 448512459 /nfs/dbraw/zinc/51/24/59/448512459.db2.gz FSVWBEUKAUUCAT-JKSUJKDBSA-N 2 2 349.385 1.454 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000591868854 448515233 /nfs/dbraw/zinc/51/52/33/448515233.db2.gz GSPMGEFONLSEML-YESZJQIVSA-N 2 2 332.448 1.690 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000591868854 448515240 /nfs/dbraw/zinc/51/52/40/448515240.db2.gz GSPMGEFONLSEML-YESZJQIVSA-N 2 2 332.448 1.690 20 0 EDADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccn1 ZINC000573220132 448574390 /nfs/dbraw/zinc/57/43/90/448574390.db2.gz YXZVMEAURVPZOT-ZBFHGGJFSA-N 2 2 334.464 1.684 20 0 EDADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccn1 ZINC000573220132 448574393 /nfs/dbraw/zinc/57/43/93/448574393.db2.gz YXZVMEAURVPZOT-ZBFHGGJFSA-N 2 2 334.464 1.684 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000578537105 448575242 /nfs/dbraw/zinc/57/52/42/448575242.db2.gz VYWAUTMCGDKGCY-BMGDILEWSA-N 2 2 346.475 1.330 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000573100836 448543909 /nfs/dbraw/zinc/54/39/09/448543909.db2.gz CQQTYCLKXBZTMY-BBRMVZONSA-N 2 2 344.459 1.007 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000573100836 448543915 /nfs/dbraw/zinc/54/39/15/448543915.db2.gz CQQTYCLKXBZTMY-BBRMVZONSA-N 2 2 344.459 1.007 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000566775665 448554654 /nfs/dbraw/zinc/55/46/54/448554654.db2.gz FXGKYGKTABNWEA-LJQANCHMSA-N 2 2 335.492 1.526 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000566775665 448554659 /nfs/dbraw/zinc/55/46/59/448554659.db2.gz FXGKYGKTABNWEA-LJQANCHMSA-N 2 2 335.492 1.526 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H]1C ZINC000573435756 448625434 /nfs/dbraw/zinc/62/54/34/448625434.db2.gz PQUWBTKCDZDIQI-OLZOCXBDSA-N 2 2 329.404 1.214 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H]1C ZINC000573435756 448625437 /nfs/dbraw/zinc/62/54/37/448625437.db2.gz PQUWBTKCDZDIQI-OLZOCXBDSA-N 2 2 329.404 1.214 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000518031874 448640441 /nfs/dbraw/zinc/64/04/41/448640441.db2.gz KWGBFUAMDYYASF-CYBMUJFWSA-N 2 2 326.404 1.409 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000518031874 448640444 /nfs/dbraw/zinc/64/04/44/448640444.db2.gz KWGBFUAMDYYASF-CYBMUJFWSA-N 2 2 326.404 1.409 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000567262394 448652209 /nfs/dbraw/zinc/65/22/09/448652209.db2.gz NDAQNXSRCIMRQG-FDQGKXFDSA-N 2 2 348.443 1.285 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000567262394 448652215 /nfs/dbraw/zinc/65/22/15/448652215.db2.gz NDAQNXSRCIMRQG-FDQGKXFDSA-N 2 2 348.443 1.285 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c[nH+]1 ZINC000573587143 448665512 /nfs/dbraw/zinc/66/55/12/448665512.db2.gz YYHVFJSCDFXDOZ-MRXNPFEDSA-N 2 2 325.416 1.648 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c[nH+]1 ZINC000573587143 448665513 /nfs/dbraw/zinc/66/55/13/448665513.db2.gz YYHVFJSCDFXDOZ-MRXNPFEDSA-N 2 2 325.416 1.648 20 0 EDADLP COc1ccc(Cl)cc1NCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000573681477 448688454 /nfs/dbraw/zinc/68/84/54/448688454.db2.gz IOQSASHYLSZFFM-CYBMUJFWSA-N 2 2 340.855 1.252 20 0 EDADLP COc1ccc(Cl)cc1NCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000573681477 448688459 /nfs/dbraw/zinc/68/84/59/448688459.db2.gz IOQSASHYLSZFFM-CYBMUJFWSA-N 2 2 340.855 1.252 20 0 EDADLP O=C1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)[C@H]([C@H]2CCCO2)N1 ZINC000518622634 448696132 /nfs/dbraw/zinc/69/61/32/448696132.db2.gz DSPCDZVJTCFDJF-ZMSDIMECSA-N 2 2 346.456 1.850 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(OC(C)(C)C)nc2)[C@H](C[NH3+])C1 ZINC000573786478 448710956 /nfs/dbraw/zinc/71/09/56/448710956.db2.gz MBFZKHFJVMCWCD-CQSZACIVSA-N 2 2 335.452 1.043 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(OC(C)(C)C)nc2)[C@H](C[NH3+])C1 ZINC000573786478 448710957 /nfs/dbraw/zinc/71/09/57/448710957.db2.gz MBFZKHFJVMCWCD-CQSZACIVSA-N 2 2 335.452 1.043 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000567369421 448679822 /nfs/dbraw/zinc/67/98/22/448679822.db2.gz KYRDOGAUZUHTGN-MRXNPFEDSA-N 2 2 331.460 1.477 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000567369421 448679826 /nfs/dbraw/zinc/67/98/26/448679826.db2.gz KYRDOGAUZUHTGN-MRXNPFEDSA-N 2 2 331.460 1.477 20 0 EDADLP CC(C)[NH2+]CC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000573871840 448733944 /nfs/dbraw/zinc/73/39/44/448733944.db2.gz MCKUYYCFBLWERR-UHFFFAOYSA-N 2 2 339.867 1.861 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000567684162 448736617 /nfs/dbraw/zinc/73/66/17/448736617.db2.gz CUPGHAIPZVCJAD-RHSMWYFYSA-N 2 2 342.443 2.564 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000567684162 448736622 /nfs/dbraw/zinc/73/66/22/448736622.db2.gz CUPGHAIPZVCJAD-RHSMWYFYSA-N 2 2 342.443 2.564 20 0 EDADLP COCC[C@H](Cc1ccco1)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579346042 448771776 /nfs/dbraw/zinc/77/17/76/448771776.db2.gz XPTFHIDBEIHHQZ-YYIAUSFCSA-N 2 2 340.464 1.287 20 0 EDADLP COCC[C@H](Cc1ccco1)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579346042 448771780 /nfs/dbraw/zinc/77/17/80/448771780.db2.gz XPTFHIDBEIHHQZ-YYIAUSFCSA-N 2 2 340.464 1.287 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2nc(-c3cccs3)no2)CC12CCOCC2 ZINC000579355235 448775685 /nfs/dbraw/zinc/77/56/85/448775685.db2.gz XIBVPZOEMKHNHP-GFCCVEGCSA-N 2 2 334.445 1.985 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)CC12CCOCC2 ZINC000579355235 448775693 /nfs/dbraw/zinc/77/56/93/448775693.db2.gz XIBVPZOEMKHNHP-GFCCVEGCSA-N 2 2 334.445 1.985 20 0 EDADLP C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000545398353 448793686 /nfs/dbraw/zinc/79/36/86/448793686.db2.gz IYQOCWVQCNGUGP-QGZVFWFLSA-N 2 2 337.489 1.239 20 0 EDADLP C[C@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000545398353 448793692 /nfs/dbraw/zinc/79/36/92/448793692.db2.gz IYQOCWVQCNGUGP-QGZVFWFLSA-N 2 2 337.489 1.239 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000568163327 448824382 /nfs/dbraw/zinc/82/43/82/448824382.db2.gz URVBJADJIJDJLF-MELADBBJSA-N 2 2 335.448 1.693 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000568163327 448824386 /nfs/dbraw/zinc/82/43/86/448824386.db2.gz URVBJADJIJDJLF-MELADBBJSA-N 2 2 335.448 1.693 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000568163325 448825200 /nfs/dbraw/zinc/82/52/00/448825200.db2.gz URVBJADJIJDJLF-HZSPNIEDSA-N 2 2 335.448 1.693 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000568163325 448825203 /nfs/dbraw/zinc/82/52/03/448825203.db2.gz URVBJADJIJDJLF-HZSPNIEDSA-N 2 2 335.448 1.693 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000574277708 448834386 /nfs/dbraw/zinc/83/43/86/448834386.db2.gz SDJWGXHHLDAZGJ-DLBZAZTESA-N 2 2 326.868 1.680 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000574277708 448834392 /nfs/dbraw/zinc/83/43/92/448834392.db2.gz SDJWGXHHLDAZGJ-DLBZAZTESA-N 2 2 326.868 1.680 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CCCO1 ZINC000519754643 448835723 /nfs/dbraw/zinc/83/57/23/448835723.db2.gz WVRQTOLDCCOWIA-AWEZNQCLSA-N 2 2 342.443 1.102 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CCCO1 ZINC000519754643 448835727 /nfs/dbraw/zinc/83/57/27/448835727.db2.gz WVRQTOLDCCOWIA-AWEZNQCLSA-N 2 2 342.443 1.102 20 0 EDADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529389148 448854167 /nfs/dbraw/zinc/85/41/67/448854167.db2.gz SZOBRTAJOKMTSR-JKSUJKDBSA-N 2 2 339.867 1.343 20 0 EDADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000529389148 448854170 /nfs/dbraw/zinc/85/41/70/448854170.db2.gz SZOBRTAJOKMTSR-JKSUJKDBSA-N 2 2 339.867 1.343 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(-c3cccnc3)cc2)[C@@H](C[NH3+])C1 ZINC000579812660 448881655 /nfs/dbraw/zinc/88/16/55/448881655.db2.gz UFLMQGQDLFFJIB-SFHVURJKSA-N 2 2 339.443 1.533 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(-c3cccnc3)cc2)[C@@H](C[NH3+])C1 ZINC000579812660 448881659 /nfs/dbraw/zinc/88/16/59/448881659.db2.gz UFLMQGQDLFFJIB-SFHVURJKSA-N 2 2 339.443 1.533 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000568371451 448862527 /nfs/dbraw/zinc/86/25/27/448862527.db2.gz FGKMGUNUIKVVGN-UKTKYZJWSA-N 2 2 328.460 1.764 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000579907703 448904874 /nfs/dbraw/zinc/90/48/74/448904874.db2.gz VRKXHTHFALECNB-CVEARBPZSA-N 2 2 341.459 1.840 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3nnc(C4CC4)[nH]3)c2cc1C ZINC000520569179 448910150 /nfs/dbraw/zinc/91/01/50/448910150.db2.gz XJELUMMSVFWMOI-AWEZNQCLSA-N 2 2 340.431 1.799 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2)N1CC[NH+](C)CC1 ZINC000520624828 448917622 /nfs/dbraw/zinc/91/76/22/448917622.db2.gz NWUULQXJDUXYOT-WMLDXEAASA-N 2 2 345.491 1.588 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1c[nH+]cn1C ZINC000529717844 448935700 /nfs/dbraw/zinc/93/57/00/448935700.db2.gz PUEIIPBZGSRTLS-NVXWUHKLSA-N 2 2 333.480 1.546 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1c[nH+]cn1C ZINC000529717844 448935704 /nfs/dbraw/zinc/93/57/04/448935704.db2.gz PUEIIPBZGSRTLS-NVXWUHKLSA-N 2 2 333.480 1.546 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C2 ZINC000568825803 448922129 /nfs/dbraw/zinc/92/21/29/448922129.db2.gz MWAYRJLXZJJDPZ-MRXNPFEDSA-N 2 2 347.507 1.286 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C2 ZINC000568825803 448922136 /nfs/dbraw/zinc/92/21/36/448922136.db2.gz MWAYRJLXZJJDPZ-MRXNPFEDSA-N 2 2 347.507 1.286 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1nncn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000521046502 448950421 /nfs/dbraw/zinc/95/04/21/448950421.db2.gz VELOZRCXHRLEFZ-CQSZACIVSA-N 2 2 329.452 1.176 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2cnn(C(C)C)c2n1 ZINC000569103047 448962351 /nfs/dbraw/zinc/96/23/51/448962351.db2.gz RIAHPKIUUHKHMP-ZDUSSCGKSA-N 2 2 330.436 1.036 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2cnn(C(C)C)c2n1 ZINC000569103047 448962353 /nfs/dbraw/zinc/96/23/53/448962353.db2.gz RIAHPKIUUHKHMP-ZDUSSCGKSA-N 2 2 330.436 1.036 20 0 EDADLP Cc1[nH+]c2c(n1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CCCC2 ZINC000569120887 448967308 /nfs/dbraw/zinc/96/73/08/448967308.db2.gz VFBNYNAZYPPBCV-INIZCTEOSA-N 2 2 348.491 1.543 20 0 EDADLP Cc1[nH+]c2c(n1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CCCC2 ZINC000569120887 448967313 /nfs/dbraw/zinc/96/73/13/448967313.db2.gz VFBNYNAZYPPBCV-INIZCTEOSA-N 2 2 348.491 1.543 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccc(-n2cccn2)c1 ZINC000521411061 448983142 /nfs/dbraw/zinc/98/31/42/448983142.db2.gz XNGAMZIZPRARJM-PBHICJAKSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(-n2cccn2)c1 ZINC000521411061 448983148 /nfs/dbraw/zinc/98/31/48/448983148.db2.gz XNGAMZIZPRARJM-PBHICJAKSA-N 2 2 342.447 1.218 20 0 EDADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000569238277 448988034 /nfs/dbraw/zinc/98/80/34/448988034.db2.gz JJJSMNDZYVQPCH-ZBFHGGJFSA-N 2 2 335.452 1.061 20 0 EDADLP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000569344681 449006506 /nfs/dbraw/zinc/00/65/06/449006506.db2.gz VVKYIXLXGYPNOC-GOSISDBHSA-N 2 2 329.444 1.197 20 0 EDADLP C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530220740 449085808 /nfs/dbraw/zinc/08/58/08/449085808.db2.gz AQTURDPXMMIWCA-DLBZAZTESA-N 2 2 338.496 1.225 20 0 EDADLP c1c[nH+]c(C2CCN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)CC2)[nH]1 ZINC000548681103 449081153 /nfs/dbraw/zinc/08/11/53/449081153.db2.gz AWOKBOCLIUHAMU-CQSZACIVSA-N 2 2 328.420 2.175 20 0 EDADLP [NH3+][C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cscn1 ZINC000575120430 449041145 /nfs/dbraw/zinc/04/11/45/449041145.db2.gz XOODAXZJMFJXIB-INIZCTEOSA-N 2 2 346.456 1.292 20 0 EDADLP CO[C@H]1CCOc2c(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cccc21 ZINC000575153617 449050834 /nfs/dbraw/zinc/05/08/34/449050834.db2.gz ORVKTEVZMSJESB-WFASDCNBSA-N 2 2 334.420 1.263 20 0 EDADLP CO[C@H]1CCOc2c(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cccc21 ZINC000575153617 449050839 /nfs/dbraw/zinc/05/08/39/449050839.db2.gz ORVKTEVZMSJESB-WFASDCNBSA-N 2 2 334.420 1.263 20 0 EDADLP Cn1cc(C[NH+]2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)CC2)cn1 ZINC000569582751 449050992 /nfs/dbraw/zinc/05/09/92/449050992.db2.gz ZISHENZUTALHTB-KRWDZBQOSA-N 2 2 331.439 1.419 20 0 EDADLP Cn1cc(CN2CC[NH+](C[C@H](C[NH3+])c3ccc(F)cc3)CC2)cn1 ZINC000569582751 449050996 /nfs/dbraw/zinc/05/09/96/449050996.db2.gz ZISHENZUTALHTB-KRWDZBQOSA-N 2 2 331.439 1.419 20 0 EDADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000575155999 449051217 /nfs/dbraw/zinc/05/12/17/449051217.db2.gz YHZALOYQADUYBW-GOEBONIOSA-N 2 2 331.464 1.869 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)nn1 ZINC000575237377 449067764 /nfs/dbraw/zinc/06/77/64/449067764.db2.gz REUGYJVVTVCEEE-HNNXBMFYSA-N 2 2 332.383 1.152 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)nn1 ZINC000575237377 449067769 /nfs/dbraw/zinc/06/77/69/449067769.db2.gz REUGYJVVTVCEEE-HNNXBMFYSA-N 2 2 332.383 1.152 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733980 449169358 /nfs/dbraw/zinc/16/93/58/449169358.db2.gz PYFRFSBHBZOWOE-UGSOOPFHSA-N 2 2 331.416 1.473 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733980 449169361 /nfs/dbraw/zinc/16/93/61/449169361.db2.gz PYFRFSBHBZOWOE-UGSOOPFHSA-N 2 2 331.416 1.473 20 0 EDADLP CC[S@](=O)c1ccccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989727 449175451 /nfs/dbraw/zinc/17/54/51/449175451.db2.gz IOMPXLMBUHZZHS-QHCPKHFHSA-N 2 2 339.505 1.427 20 0 EDADLP CC[S@](=O)c1ccccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989727 449175457 /nfs/dbraw/zinc/17/54/57/449175457.db2.gz IOMPXLMBUHZZHS-QHCPKHFHSA-N 2 2 339.505 1.427 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597994619 449179198 /nfs/dbraw/zinc/17/91/98/449179198.db2.gz CHXPZKPZRIJQQD-HUUCEWRRSA-N 2 2 331.526 1.287 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597994619 449179205 /nfs/dbraw/zinc/17/92/05/449179205.db2.gz CHXPZKPZRIJQQD-HUUCEWRRSA-N 2 2 331.526 1.287 20 0 EDADLP CCOC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208976 449195011 /nfs/dbraw/zinc/19/50/11/449195011.db2.gz LMUNPQUMPBCMDS-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP CCOC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604208976 449195013 /nfs/dbraw/zinc/19/50/13/449195013.db2.gz LMUNPQUMPBCMDS-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595892677 449237113 /nfs/dbraw/zinc/23/71/13/449237113.db2.gz OEXHLVDUOUCSTN-IAGOWNOFSA-N 2 2 332.444 1.614 20 0 EDADLP CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595892677 449237116 /nfs/dbraw/zinc/23/71/16/449237116.db2.gz OEXHLVDUOUCSTN-IAGOWNOFSA-N 2 2 332.444 1.614 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](CCCO)C2CC2)CC1 ZINC000605422383 449379132 /nfs/dbraw/zinc/37/91/32/449379132.db2.gz YYCHLFSHGNXKMY-UHFFFAOYSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](CCCO)C2CC2)CC1 ZINC000605422383 449379135 /nfs/dbraw/zinc/37/91/35/449379135.db2.gz YYCHLFSHGNXKMY-UHFFFAOYSA-N 2 2 345.487 1.486 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590870983 449328669 /nfs/dbraw/zinc/32/86/69/449328669.db2.gz BXHGFOVQWWFSQC-OAHLLOKOSA-N 2 2 335.452 1.340 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590870983 449328675 /nfs/dbraw/zinc/32/86/75/449328675.db2.gz BXHGFOVQWWFSQC-OAHLLOKOSA-N 2 2 335.452 1.340 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc4n[nH]cc43)C2)CC1 ZINC000602202779 449431457 /nfs/dbraw/zinc/43/14/57/449431457.db2.gz STMZAURAUITMGC-CYBMUJFWSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc4n[nH]cc43)C2)CC1 ZINC000602202779 449431461 /nfs/dbraw/zinc/43/14/61/449431461.db2.gz STMZAURAUITMGC-CYBMUJFWSA-N 2 2 327.432 1.461 20 0 EDADLP Cc1cc(C)cc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602204462 449432153 /nfs/dbraw/zinc/43/21/53/449432153.db2.gz IPHUODHLXLVNED-QGZVFWFLSA-N 2 2 345.487 1.967 20 0 EDADLP Cc1cc(C)cc(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602204462 449432158 /nfs/dbraw/zinc/43/21/58/449432158.db2.gz IPHUODHLXLVNED-QGZVFWFLSA-N 2 2 345.487 1.967 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000596295288 449460375 /nfs/dbraw/zinc/46/03/75/449460375.db2.gz SQKRBYRGTHFJMZ-MRXNPFEDSA-N 2 2 333.432 1.488 20 0 EDADLP CC[C@H](C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000617342656 449565913 /nfs/dbraw/zinc/56/59/13/449565913.db2.gz HDYFTSCUTUSZPF-ARFHVFGLSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000617342656 449565916 /nfs/dbraw/zinc/56/59/16/449565916.db2.gz HDYFTSCUTUSZPF-ARFHVFGLSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617342656 449565922 /nfs/dbraw/zinc/56/59/22/449565922.db2.gz HDYFTSCUTUSZPF-ARFHVFGLSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617342656 449565926 /nfs/dbraw/zinc/56/59/26/449565926.db2.gz HDYFTSCUTUSZPF-ARFHVFGLSA-N 2 2 325.497 1.865 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614464649 449626833 /nfs/dbraw/zinc/62/68/33/449626833.db2.gz BJHSWXMELMDGSU-AWEZNQCLSA-N 2 2 335.452 1.546 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614464649 449626838 /nfs/dbraw/zinc/62/68/38/449626838.db2.gz BJHSWXMELMDGSU-AWEZNQCLSA-N 2 2 335.452 1.546 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000601206613 449751011 /nfs/dbraw/zinc/75/10/11/449751011.db2.gz BFAUDHKTRQWGER-HNNXBMFYSA-N 2 2 345.451 1.015 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000601206614 449751159 /nfs/dbraw/zinc/75/11/59/449751159.db2.gz BFAUDHKTRQWGER-OAHLLOKOSA-N 2 2 345.451 1.015 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313805 449804679 /nfs/dbraw/zinc/80/46/79/449804679.db2.gz NUEFHBQGAYYUGG-HNNXBMFYSA-N 2 2 331.420 1.909 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000601300491 449810219 /nfs/dbraw/zinc/81/02/19/449810219.db2.gz MOVYDUICOZROHS-HNNXBMFYSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000601300491 449810225 /nfs/dbraw/zinc/81/02/25/449810225.db2.gz MOVYDUICOZROHS-HNNXBMFYSA-N 2 2 326.485 1.269 20 0 EDADLP COc1ccc2onc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2c1 ZINC000617762744 449822448 /nfs/dbraw/zinc/82/24/48/449822448.db2.gz XYMIKJUGCKIBBD-UHFFFAOYSA-N 2 2 348.447 1.379 20 0 EDADLP COc1ccc2onc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC000617762744 449822452 /nfs/dbraw/zinc/82/24/52/449822452.db2.gz XYMIKJUGCKIBBD-UHFFFAOYSA-N 2 2 348.447 1.379 20 0 EDADLP C[C@@H](Cn1ncc2ccccc21)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764394 449823613 /nfs/dbraw/zinc/82/36/13/449823613.db2.gz VEAAMIVAVHDEEO-INIZCTEOSA-N 2 2 345.491 1.672 20 0 EDADLP C[C@@H](Cn1ncc2ccccc21)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764394 449823619 /nfs/dbraw/zinc/82/36/19/449823619.db2.gz VEAAMIVAVHDEEO-INIZCTEOSA-N 2 2 345.491 1.672 20 0 EDADLP CCOc1nc2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc2[nH]1 ZINC000617764758 449825294 /nfs/dbraw/zinc/82/52/94/449825294.db2.gz FJGQEKGJOVDIQY-UHFFFAOYSA-N 2 2 347.463 1.575 20 0 EDADLP CCOc1nc2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc2[nH]1 ZINC000617764758 449825299 /nfs/dbraw/zinc/82/52/99/449825299.db2.gz FJGQEKGJOVDIQY-UHFFFAOYSA-N 2 2 347.463 1.575 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000601318465 449828118 /nfs/dbraw/zinc/82/81/18/449828118.db2.gz PGCDJMWSLYKKPI-OWCLPIDISA-N 2 2 326.485 1.268 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(s1)CCOC2 ZINC000617766512 449829062 /nfs/dbraw/zinc/82/90/62/449829062.db2.gz NHFLLJKAUDJCNL-UHFFFAOYSA-N 2 2 325.478 1.434 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(s1)CCOC2 ZINC000617766512 449829068 /nfs/dbraw/zinc/82/90/68/449829068.db2.gz NHFLLJKAUDJCNL-UHFFFAOYSA-N 2 2 325.478 1.434 20 0 EDADLP COc1cccc(-c2nc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)co2)c1 ZINC000601325367 449833343 /nfs/dbraw/zinc/83/33/43/449833343.db2.gz IWVQATIKPDXKNU-GOEBONIOSA-N 2 2 342.399 1.094 20 0 EDADLP COc1cccc(-c2nc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)co2)c1 ZINC000601325367 449833347 /nfs/dbraw/zinc/83/33/47/449833347.db2.gz IWVQATIKPDXKNU-GOEBONIOSA-N 2 2 342.399 1.094 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1ccc(F)c(Cl)c1 ZINC000617768166 449834314 /nfs/dbraw/zinc/83/43/14/449834314.db2.gz SAMADLQMXUGRBF-UHFFFAOYSA-N 2 2 345.846 1.858 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1ccc(F)c(Cl)c1 ZINC000617768166 449834317 /nfs/dbraw/zinc/83/43/17/449834317.db2.gz SAMADLQMXUGRBF-UHFFFAOYSA-N 2 2 345.846 1.858 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601328589 449836967 /nfs/dbraw/zinc/83/69/67/449836967.db2.gz NSGLGEMXMUMUGP-HZPDHXFCSA-N 2 2 335.452 1.340 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000601328589 449836971 /nfs/dbraw/zinc/83/69/71/449836971.db2.gz NSGLGEMXMUMUGP-HZPDHXFCSA-N 2 2 335.452 1.340 20 0 EDADLP COC(=O)c1cnc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000599334854 449900412 /nfs/dbraw/zinc/90/04/12/449900412.db2.gz JNQJUIFWNCVFPT-SUMWQHHRSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)c1cnc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000599334854 449900414 /nfs/dbraw/zinc/90/04/14/449900414.db2.gz JNQJUIFWNCVFPT-SUMWQHHRSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)c1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000599334854 449900417 /nfs/dbraw/zinc/90/04/17/449900417.db2.gz JNQJUIFWNCVFPT-SUMWQHHRSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)c1cnc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000599334854 449900421 /nfs/dbraw/zinc/90/04/21/449900421.db2.gz JNQJUIFWNCVFPT-SUMWQHHRSA-N 2 2 330.432 1.712 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CC[N@H+](CC)C1 ZINC000617928598 449923958 /nfs/dbraw/zinc/92/39/58/449923958.db2.gz SCVLGESRBNPOAZ-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CC[N@@H+](CC)C1 ZINC000617928598 449923968 /nfs/dbraw/zinc/92/39/68/449923968.db2.gz SCVLGESRBNPOAZ-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+](CC)C1 ZINC000617928598 449923974 /nfs/dbraw/zinc/92/39/74/449923974.db2.gz SCVLGESRBNPOAZ-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH+](CC)C1 ZINC000617928598 449923982 /nfs/dbraw/zinc/92/39/82/449923982.db2.gz SCVLGESRBNPOAZ-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342398 450055287 /nfs/dbraw/zinc/05/52/87/450055287.db2.gz NEEZPUBXDUQQNJ-CABCVRRESA-N 2 2 339.480 1.203 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342398 450055292 /nfs/dbraw/zinc/05/52/92/450055292.db2.gz NEEZPUBXDUQQNJ-CABCVRRESA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342398 450055295 /nfs/dbraw/zinc/05/52/95/450055295.db2.gz NEEZPUBXDUQQNJ-CABCVRRESA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342398 450055299 /nfs/dbraw/zinc/05/52/99/450055299.db2.gz NEEZPUBXDUQQNJ-CABCVRRESA-N 2 2 339.480 1.203 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)o1 ZINC000609672714 450082407 /nfs/dbraw/zinc/08/24/07/450082407.db2.gz LXMMOQJRTHISMW-MRXNPFEDSA-N 2 2 335.448 1.586 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)o1 ZINC000609672714 450082413 /nfs/dbraw/zinc/08/24/13/450082413.db2.gz LXMMOQJRTHISMW-MRXNPFEDSA-N 2 2 335.448 1.586 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615532865 450126679 /nfs/dbraw/zinc/12/66/79/450126679.db2.gz CTNLLORACOYTPU-QGZVFWFLSA-N 2 2 341.415 1.204 20 0 EDADLP CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000613367065 450151358 /nfs/dbraw/zinc/15/13/58/450151358.db2.gz ZNVMSIRXTRVZNZ-QAPCUYQASA-N 2 2 333.476 1.761 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000603597063 450331348 /nfs/dbraw/zinc/33/13/48/450331348.db2.gz ZUFURBAWJGQUIR-UHFFFAOYSA-N 2 2 348.495 1.359 20 0 EDADLP CN(CCC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)c1cc[nH+]cc1 ZINC000616865076 450503501 /nfs/dbraw/zinc/50/35/01/450503501.db2.gz PZIPXRDVBOKUDK-MRXNPFEDSA-N 2 2 345.447 1.517 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3[nH+]ccn3C)CC2)CC1 ZINC000620605665 450520714 /nfs/dbraw/zinc/52/07/14/450520714.db2.gz IHGHSUJLAAWTCS-HNNXBMFYSA-N 3 2 347.507 1.794 20 0 EDADLP FCC[C@@H]1C[NH+](CCOCC[N@@H+]2CCO[C@H](CCF)C2)CCO1 ZINC000626004285 450552498 /nfs/dbraw/zinc/55/24/98/450552498.db2.gz DCBHNXKFZVRVNU-HZPDHXFCSA-N 2 2 336.423 1.124 20 0 EDADLP FCC[C@@H]1C[NH+](CCOCC[N@H+]2CCO[C@H](CCF)C2)CCO1 ZINC000626004285 450552500 /nfs/dbraw/zinc/55/25/00/450552500.db2.gz DCBHNXKFZVRVNU-HZPDHXFCSA-N 2 2 336.423 1.124 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000623631923 450555851 /nfs/dbraw/zinc/55/58/51/450555851.db2.gz ATOLJNHJJLCRGF-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000623631923 450555853 /nfs/dbraw/zinc/55/58/53/450555853.db2.gz ATOLJNHJJLCRGF-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCCC[C@@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000623631923 450555854 /nfs/dbraw/zinc/55/58/54/450555854.db2.gz ATOLJNHJJLCRGF-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCCC[C@@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000623631923 450555855 /nfs/dbraw/zinc/55/58/55/450555855.db2.gz ATOLJNHJJLCRGF-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000626087141 450572496 /nfs/dbraw/zinc/57/24/96/450572496.db2.gz DAYNJWRCLXOPSE-OAHLLOKOSA-N 2 2 325.497 1.866 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000620933689 450563950 /nfs/dbraw/zinc/56/39/50/450563950.db2.gz ZOOSCWXINNWUSY-UHFFFAOYSA-N 2 2 335.492 1.480 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000620979942 450568972 /nfs/dbraw/zinc/56/89/72/450568972.db2.gz KKTDTBLPWPRUGY-INIZCTEOSA-N 2 2 334.464 1.331 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c[nH+]cn1C ZINC000621109994 450582500 /nfs/dbraw/zinc/58/25/00/450582500.db2.gz HKRAIOFKJZMCRD-DOTOQJQBSA-N 2 2 333.480 1.261 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1c[nH+]cn1C ZINC000621109994 450582503 /nfs/dbraw/zinc/58/25/03/450582503.db2.gz HKRAIOFKJZMCRD-DOTOQJQBSA-N 2 2 333.480 1.261 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CC[C@@H]([N@@H+]4CC[C@H](O)C4)C3)cc2n1C ZINC000627265431 450597707 /nfs/dbraw/zinc/59/77/07/450597707.db2.gz JAEIYBAPUSVBSX-CABCVRRESA-N 2 2 328.416 1.163 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CC[C@@H]([N@H+]4CC[C@H](O)C4)C3)cc2n1C ZINC000627265431 450597709 /nfs/dbraw/zinc/59/77/09/450597709.db2.gz JAEIYBAPUSVBSX-CABCVRRESA-N 2 2 328.416 1.163 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCc3[nH+]ccn3C)C2)cc1 ZINC000633033843 450629239 /nfs/dbraw/zinc/62/92/39/450629239.db2.gz QJIFWGDVCWVXMS-INIZCTEOSA-N 2 2 327.432 1.802 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCc3[nH+]ccn3C)C2)cc1 ZINC000633033843 450629248 /nfs/dbraw/zinc/62/92/48/450629248.db2.gz QJIFWGDVCWVXMS-INIZCTEOSA-N 2 2 327.432 1.802 20 0 EDADLP Cc1cc(NCCNC(=O)NCC2([NH+](C)C)CCC2)nc(C(C)C)[nH+]1 ZINC000623916227 450635495 /nfs/dbraw/zinc/63/54/95/450635495.db2.gz IFHBFERVSMBAJN-UHFFFAOYSA-N 2 2 348.495 2.104 20 0 EDADLP Oc1ccc(C[NH+]2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1 ZINC000631536323 450641952 /nfs/dbraw/zinc/64/19/52/450641952.db2.gz BYKPMPOSDUQUDR-UHFFFAOYSA-N 2 2 336.399 1.690 20 0 EDADLP CCn1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)n1 ZINC000626270313 450656176 /nfs/dbraw/zinc/65/61/76/450656176.db2.gz WPZABZUNHLYHCI-SJPCQFCGSA-N 2 2 345.491 1.594 20 0 EDADLP CCn1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)n1 ZINC000626270313 450656183 /nfs/dbraw/zinc/65/61/83/450656183.db2.gz WPZABZUNHLYHCI-SJPCQFCGSA-N 2 2 345.491 1.594 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(OC)c1OC ZINC000631577972 450664154 /nfs/dbraw/zinc/66/41/54/450664154.db2.gz ZSIPLQMLKLFDKV-OAHLLOKOSA-N 2 2 335.448 1.519 20 0 EDADLP Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635123096 450669094 /nfs/dbraw/zinc/66/90/94/450669094.db2.gz QUDCYNXLFZXKMC-MRXNPFEDSA-N 2 2 343.475 1.545 20 0 EDADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624084741 450698509 /nfs/dbraw/zinc/69/85/09/450698509.db2.gz KOOCNSRDJKZEMO-RDJZCZTQSA-N 2 2 346.475 1.642 20 0 EDADLP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624084741 450698512 /nfs/dbraw/zinc/69/85/12/450698512.db2.gz KOOCNSRDJKZEMO-RDJZCZTQSA-N 2 2 346.475 1.642 20 0 EDADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CCOCC1 ZINC000629655617 450771836 /nfs/dbraw/zinc/77/18/36/450771836.db2.gz WTMYAYVANCGOBD-UHFFFAOYSA-N 2 2 347.459 1.285 20 0 EDADLP C[NH+](C)[C@@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1ccsc1 ZINC000631720718 450732161 /nfs/dbraw/zinc/73/21/61/450732161.db2.gz LWDZNJKECVYWGV-ZDUSSCGKSA-N 2 2 331.507 1.364 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000629555168 450733540 /nfs/dbraw/zinc/73/35/40/450733540.db2.gz YHVWTGJVFQVPMA-FQEVSTJZSA-N 3 2 346.519 1.245 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cn2)n1 ZINC000629557068 450734937 /nfs/dbraw/zinc/73/49/37/450734937.db2.gz BBKWFTHNPNRNEI-KRWDZBQOSA-N 2 2 329.448 1.430 20 0 EDADLP COc1cccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1OC(F)F ZINC000629655339 450772507 /nfs/dbraw/zinc/77/25/07/450772507.db2.gz ICFXZCMINJYCSN-UHFFFAOYSA-N 2 2 340.330 1.541 20 0 EDADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584200 450749189 /nfs/dbraw/zinc/74/91/89/450749189.db2.gz MSJUOUNSSQKPMI-ZMYBRWDISA-N 2 2 333.451 1.804 20 0 EDADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584200 450749190 /nfs/dbraw/zinc/74/91/90/450749190.db2.gz MSJUOUNSSQKPMI-ZMYBRWDISA-N 2 2 333.451 1.804 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592150 450752615 /nfs/dbraw/zinc/75/26/15/450752615.db2.gz AWKISPYADLSQBI-ZOCIIQOWSA-N 2 2 331.460 1.631 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592150 450752618 /nfs/dbraw/zinc/75/26/18/450752618.db2.gz AWKISPYADLSQBI-ZOCIIQOWSA-N 2 2 331.460 1.631 20 0 EDADLP CC1(C)Oc2ccsc2[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H]1O ZINC000629592195 450752707 /nfs/dbraw/zinc/75/27/07/450752707.db2.gz CQCKJBANRUFDSY-LNSITVRQSA-N 2 2 326.462 1.367 20 0 EDADLP Cc1cc(NCC[NH2+]CCC(=O)Nc2cccnc2)nc(C(C)C)[nH+]1 ZINC000629592958 450753893 /nfs/dbraw/zinc/75/38/93/450753893.db2.gz ARVUMDYSUWSWCZ-UHFFFAOYSA-N 2 2 342.447 2.334 20 0 EDADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C[NH2+]1 ZINC000629660229 450773428 /nfs/dbraw/zinc/77/34/28/450773428.db2.gz QGRKEFHJPKEGLA-YOEHRIQHSA-N 2 2 331.460 1.822 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000635300794 450827040 /nfs/dbraw/zinc/82/70/40/450827040.db2.gz SIVIVIHPTDAOLR-UHFFFAOYSA-N 2 2 343.431 1.606 20 0 EDADLP COc1ccc(CCNC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1OC ZINC000631870680 450838074 /nfs/dbraw/zinc/83/80/74/450838074.db2.gz TYSBPOZZRNUAOE-BEFAXECRSA-N 2 2 347.459 1.094 20 0 EDADLP C[C@H](C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000635265597 450793723 /nfs/dbraw/zinc/79/37/23/450793723.db2.gz SFHRTFFXEDWIDQ-QGZVFWFLSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@H](C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000635265597 450793751 /nfs/dbraw/zinc/79/37/51/450793751.db2.gz SFHRTFFXEDWIDQ-QGZVFWFLSA-N 2 2 332.492 1.261 20 0 EDADLP CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000631827940 450800842 /nfs/dbraw/zinc/80/08/42/450800842.db2.gz ZNYVHWFLPQJWQM-LBPRGKRZSA-N 2 2 337.386 1.085 20 0 EDADLP CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000631827940 450800844 /nfs/dbraw/zinc/80/08/44/450800844.db2.gz ZNYVHWFLPQJWQM-LBPRGKRZSA-N 2 2 337.386 1.085 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886116 450847179 /nfs/dbraw/zinc/84/71/79/450847179.db2.gz FWHDIXYVFIVICZ-WMLDXEAASA-N 2 2 338.473 1.543 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631886116 450847185 /nfs/dbraw/zinc/84/71/85/450847185.db2.gz FWHDIXYVFIVICZ-WMLDXEAASA-N 2 2 338.473 1.543 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000631885955 450847724 /nfs/dbraw/zinc/84/77/24/450847724.db2.gz FNGOQCKMVMXPAI-GDBMZVCRSA-N 2 2 345.443 1.860 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000631885955 450847728 /nfs/dbraw/zinc/84/77/28/450847728.db2.gz FNGOQCKMVMXPAI-GDBMZVCRSA-N 2 2 345.443 1.860 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000631935694 450893677 /nfs/dbraw/zinc/89/36/77/450893677.db2.gz LJXUOOCKGGOLLP-OAHLLOKOSA-N 2 2 329.441 1.054 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000624610851 450918959 /nfs/dbraw/zinc/91/89/59/450918959.db2.gz BYADPWBXVJPXDO-NVXWUHKLSA-N 2 2 332.448 1.976 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000624610851 450918964 /nfs/dbraw/zinc/91/89/64/450918964.db2.gz BYADPWBXVJPXDO-NVXWUHKLSA-N 2 2 332.448 1.976 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)C(C)(C)C[NH+]3CCOCC3)cn2c1 ZINC000635419087 450925949 /nfs/dbraw/zinc/92/59/49/450925949.db2.gz QJCXRQIAKSWQHF-UHFFFAOYSA-N 2 2 330.432 1.617 20 0 EDADLP O[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)CC1(O)CCOCC1 ZINC000630036739 450968498 /nfs/dbraw/zinc/96/84/98/450968498.db2.gz OIHFKONIJJAAFQ-QGZVFWFLSA-N 2 2 326.481 1.229 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000626923977 451007736 /nfs/dbraw/zinc/00/77/36/451007736.db2.gz BQAKKEMKTCJXJJ-MAUKXSAKSA-N 2 2 346.475 1.459 20 0 EDADLP CCN(CC[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000626932009 451014879 /nfs/dbraw/zinc/01/48/79/451014879.db2.gz PZEXUBBNUIEMGC-ZIAGYGMSSA-N 2 2 335.452 1.185 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635525661 451023588 /nfs/dbraw/zinc/02/35/88/451023588.db2.gz DCAPELHHSLUMFD-DJIMGWMZSA-N 2 2 332.448 1.019 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635525661 451023595 /nfs/dbraw/zinc/02/35/95/451023595.db2.gz DCAPELHHSLUMFD-DJIMGWMZSA-N 2 2 332.448 1.019 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CCOCC1 ZINC000626947913 451026591 /nfs/dbraw/zinc/02/65/91/451026591.db2.gz JMXJMQIGXDJQDI-UHFFFAOYSA-N 2 2 329.404 1.179 20 0 EDADLP CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1C[NH+]2CCC1CC2 ZINC000635550062 451045817 /nfs/dbraw/zinc/04/58/17/451045817.db2.gz SJMFRNJFMNQVRM-OLZOCXBDSA-N 2 2 330.354 1.929 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[C@@H]1C(F)(F)F ZINC000627015851 451080441 /nfs/dbraw/zinc/08/04/41/451080441.db2.gz AYIIGNYXOHZXCR-UTUOFQBUSA-N 2 2 345.369 1.367 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000627056468 451104802 /nfs/dbraw/zinc/10/48/02/451104802.db2.gz AZQWAPNBAJHBRX-PWSUYJOCSA-N 2 2 333.358 1.131 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627079929 451114634 /nfs/dbraw/zinc/11/46/34/451114634.db2.gz LMMTYQHJHDWLOD-SJORKVTESA-N 2 2 349.479 1.099 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627079929 451114642 /nfs/dbraw/zinc/11/46/42/451114642.db2.gz LMMTYQHJHDWLOD-SJORKVTESA-N 2 2 349.479 1.099 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000628152668 451160029 /nfs/dbraw/zinc/16/00/29/451160029.db2.gz KCBBHPDPHJWJFI-GOSISDBHSA-N 2 2 341.459 1.124 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000628152668 451160035 /nfs/dbraw/zinc/16/00/35/451160035.db2.gz KCBBHPDPHJWJFI-GOSISDBHSA-N 2 2 341.459 1.124 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635677479 451162385 /nfs/dbraw/zinc/16/23/85/451162385.db2.gz STASVALYLJJPBD-RAIGVLPGSA-N 2 2 330.354 1.976 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635677479 451162389 /nfs/dbraw/zinc/16/23/89/451162389.db2.gz STASVALYLJJPBD-RAIGVLPGSA-N 2 2 330.354 1.976 20 0 EDADLP Cc1c[nH]c(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000628163854 451163837 /nfs/dbraw/zinc/16/38/37/451163837.db2.gz VNDVFPMQTGQDKW-UHFFFAOYSA-N 2 2 327.476 1.968 20 0 EDADLP Cc1c[nH]c(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000628163854 451163845 /nfs/dbraw/zinc/16/38/45/451163845.db2.gz VNDVFPMQTGQDKW-UHFFFAOYSA-N 2 2 327.476 1.968 20 0 EDADLP Cc1ncc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)o1 ZINC000628202770 451178629 /nfs/dbraw/zinc/17/86/29/451178629.db2.gz HCJMPBVVMSBTKV-UHFFFAOYSA-N 2 2 328.416 1.660 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000635710136 451188416 /nfs/dbraw/zinc/18/84/16/451188416.db2.gz ISMWHMAGGFMTHD-STQMWFEESA-N 2 2 348.369 1.340 20 0 EDADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000628233846 451189699 /nfs/dbraw/zinc/18/96/99/451189699.db2.gz YFZUOPUBKGHKQI-MJGOQNOKSA-N 2 2 345.487 1.621 20 0 EDADLP c1nc(N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(NCC2CC2)[nH+]1 ZINC000630543169 451239162 /nfs/dbraw/zinc/23/91/62/451239162.db2.gz AFSQUWBVKGUIMN-MRXNPFEDSA-N 2 2 331.464 1.893 20 0 EDADLP c1nc(NCC2CC2)cc(N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000630543169 451239165 /nfs/dbraw/zinc/23/91/65/451239165.db2.gz AFSQUWBVKGUIMN-MRXNPFEDSA-N 2 2 331.464 1.893 20 0 EDADLP [NH3+]C[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCOC1 ZINC000638081743 451246129 /nfs/dbraw/zinc/24/61/29/451246129.db2.gz BSIKRVPZXHUVFV-QGZVFWFLSA-N 2 2 332.379 1.383 20 0 EDADLP COC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCC[NH2+]1 ZINC000638084150 451247682 /nfs/dbraw/zinc/24/76/82/451247682.db2.gz QGPHAAOYVSQVHX-SFHVURJKSA-N 2 2 346.406 1.786 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@@]2(C[NH3+])CCCOC2)c1)[NH+]1CCOCC1 ZINC000638101182 451266954 /nfs/dbraw/zinc/26/69/54/451266954.db2.gz OJUMFUGAIWPEPY-DNVCBOLYSA-N 2 2 347.459 1.774 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1c(Cl)cccc1OC(F)F ZINC000634299743 451284398 /nfs/dbraw/zinc/28/43/98/451284398.db2.gz ZJWNZTFTJXTYDX-NSHDSACASA-N 2 2 335.782 1.837 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000638122922 451292515 /nfs/dbraw/zinc/29/25/15/451292515.db2.gz SLKLQOWFPGEMJB-QGZVFWFLSA-N 2 2 335.448 1.264 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000635868008 451315552 /nfs/dbraw/zinc/31/55/52/451315552.db2.gz BACPJHVJJMDVGQ-MRXNPFEDSA-N 2 2 333.432 1.420 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[NH+](C)C(C)(C)C2)cc1 ZINC000635893517 451337387 /nfs/dbraw/zinc/33/73/87/451337387.db2.gz SQZMFSLUGYPYFX-KRWDZBQOSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[NH+](C)C(C)(C)C2)cc1 ZINC000635893517 451337390 /nfs/dbraw/zinc/33/73/90/451337390.db2.gz SQZMFSLUGYPYFX-KRWDZBQOSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000635893517 451337391 /nfs/dbraw/zinc/33/73/91/451337391.db2.gz SQZMFSLUGYPYFX-KRWDZBQOSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000635893517 451337395 /nfs/dbraw/zinc/33/73/95/451337395.db2.gz SQZMFSLUGYPYFX-KRWDZBQOSA-N 2 2 331.460 1.822 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1C)CC2 ZINC000628647884 451354523 /nfs/dbraw/zinc/35/45/23/451354523.db2.gz FFRGEMKANGYLQP-MRXNPFEDSA-N 2 2 347.459 1.272 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1C)CC2 ZINC000628647884 451354530 /nfs/dbraw/zinc/35/45/30/451354530.db2.gz FFRGEMKANGYLQP-MRXNPFEDSA-N 2 2 347.459 1.272 20 0 EDADLP COc1cc2c(cc1OC)C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1C)CC2 ZINC000628647884 451354537 /nfs/dbraw/zinc/35/45/37/451354537.db2.gz FFRGEMKANGYLQP-MRXNPFEDSA-N 2 2 347.459 1.272 20 0 EDADLP COc1cc2c(cc1OC)C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1C)CC2 ZINC000628647884 451354541 /nfs/dbraw/zinc/35/45/41/451354541.db2.gz FFRGEMKANGYLQP-MRXNPFEDSA-N 2 2 347.459 1.272 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)CC2 ZINC000638215185 451359119 /nfs/dbraw/zinc/35/91/19/451359119.db2.gz MRMPYFRMTCQAHF-GDBMZVCRSA-N 2 2 325.416 1.322 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)C1CCC(C)CC1 ZINC000632548261 451389952 /nfs/dbraw/zinc/38/99/52/451389952.db2.gz IHAARTGHOXDTGI-PCKAHOCUSA-N 2 2 333.542 1.757 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)C1CCC(C)CC1 ZINC000632548261 451389958 /nfs/dbraw/zinc/38/99/58/451389958.db2.gz IHAARTGHOXDTGI-PCKAHOCUSA-N 2 2 333.542 1.757 20 0 EDADLP c1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000638183166 451343067 /nfs/dbraw/zinc/34/30/67/451343067.db2.gz UQVFLLCINVILMD-GPMSIDNRSA-N 2 2 345.491 1.763 20 0 EDADLP c1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000638183166 451343073 /nfs/dbraw/zinc/34/30/73/451343073.db2.gz UQVFLLCINVILMD-GPMSIDNRSA-N 2 2 345.491 1.763 20 0 EDADLP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000638183166 451343082 /nfs/dbraw/zinc/34/30/82/451343082.db2.gz UQVFLLCINVILMD-GPMSIDNRSA-N 2 2 345.491 1.763 20 0 EDADLP c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000638183166 451343085 /nfs/dbraw/zinc/34/30/85/451343085.db2.gz UQVFLLCINVILMD-GPMSIDNRSA-N 2 2 345.491 1.763 20 0 EDADLP CCc1c[nH]c(CC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)[nH+]1 ZINC000635951379 451391659 /nfs/dbraw/zinc/39/16/59/451391659.db2.gz SYJUCBTYFLAWCD-MRXNPFEDSA-N 2 2 328.416 1.720 20 0 EDADLP CCC[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000638278464 451397235 /nfs/dbraw/zinc/39/72/35/451397235.db2.gz RFHNGBZYFOHJII-QGZVFWFLSA-N 2 2 340.475 1.788 20 0 EDADLP CCC[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000638278464 451397242 /nfs/dbraw/zinc/39/72/42/451397242.db2.gz RFHNGBZYFOHJII-QGZVFWFLSA-N 2 2 340.475 1.788 20 0 EDADLP [NH3+]C1(c2noc(CC3([NH3+])CC[NH+](Cc4ccccc4)CC3)n2)CCC1 ZINC000634555780 451405314 /nfs/dbraw/zinc/40/53/14/451405314.db2.gz VAOQTSURFPRFMA-UHFFFAOYSA-N 3 2 341.459 1.944 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CCC2C[NH2+]C2)CC1 ZINC000638303514 451417247 /nfs/dbraw/zinc/41/72/47/451417247.db2.gz ZIZLLUCMMVUGOE-UHFFFAOYSA-N 2 2 344.459 1.289 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000638324039 451433174 /nfs/dbraw/zinc/43/31/74/451433174.db2.gz MUCKZORBOPKECX-MRXNPFEDSA-N 2 2 343.431 1.214 20 0 EDADLP C[C@H](NC(=O)Nc1ccnc(C[NH+](C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000640614150 451461252 /nfs/dbraw/zinc/46/12/52/451461252.db2.gz MVJFMVFVXHOIEP-KBPBESRZSA-N 2 2 335.452 1.374 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619990 451468520 /nfs/dbraw/zinc/46/85/20/451468520.db2.gz ANFMUKDQLLPJBD-HNNXBMFYSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619990 451468525 /nfs/dbraw/zinc/46/85/25/451468525.db2.gz ANFMUKDQLLPJBD-HNNXBMFYSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@](O)(C[C@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000634698100 451469441 /nfs/dbraw/zinc/46/94/41/451469441.db2.gz AGLNTDUJWJJRKW-OALUTQOASA-N 2 2 329.444 1.933 20 0 EDADLP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634698931 451469842 /nfs/dbraw/zinc/46/98/42/451469842.db2.gz BKTVBHUUCTTZNM-AZUAARDMSA-N 3 2 331.504 1.945 20 0 EDADLP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634698931 451469848 /nfs/dbraw/zinc/46/98/48/451469848.db2.gz BKTVBHUUCTTZNM-AZUAARDMSA-N 3 2 331.504 1.945 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000638385049 451478196 /nfs/dbraw/zinc/47/81/96/451478196.db2.gz BFDSTBZRNJURAV-UHFFFAOYSA-N 2 2 328.416 1.917 20 0 EDADLP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000634705452 451482037 /nfs/dbraw/zinc/48/20/37/451482037.db2.gz ARCINFGYMLUXND-UYAOXDASSA-N 3 2 347.503 1.181 20 0 EDADLP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000634705452 451482043 /nfs/dbraw/zinc/48/20/43/451482043.db2.gz ARCINFGYMLUXND-UYAOXDASSA-N 3 2 347.503 1.181 20 0 EDADLP CC(C)(C)N1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634706467 451483325 /nfs/dbraw/zinc/48/33/25/451483325.db2.gz PPRYFLCZNLVGSQ-FXAWDEMLSA-N 2 2 345.487 1.612 20 0 EDADLP CC(C)(C)N1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634706467 451483328 /nfs/dbraw/zinc/48/33/28/451483328.db2.gz PPRYFLCZNLVGSQ-FXAWDEMLSA-N 2 2 345.487 1.612 20 0 EDADLP COc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(Cl)cc1O ZINC000638411249 451497332 /nfs/dbraw/zinc/49/73/32/451497332.db2.gz HJGQUMSTCHTCHC-UHFFFAOYSA-N 2 2 328.840 1.991 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000638424788 451508789 /nfs/dbraw/zinc/50/87/89/451508789.db2.gz JRQWADSQELQOAZ-GOSISDBHSA-N 2 2 347.459 1.266 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000638428751 451509747 /nfs/dbraw/zinc/50/97/47/451509747.db2.gz BCFUGUYDIPSRJB-MOPGFXCFSA-N 2 2 346.519 1.682 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)no1 ZINC000634729666 451510889 /nfs/dbraw/zinc/51/08/89/451510889.db2.gz SOFLMDSAZCUIGH-KRWDZBQOSA-N 2 2 342.443 2.484 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)no1 ZINC000634729666 451510894 /nfs/dbraw/zinc/51/08/94/451510894.db2.gz SOFLMDSAZCUIGH-KRWDZBQOSA-N 2 2 342.443 2.484 20 0 EDADLP CCCNC(=O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631036000 451543942 /nfs/dbraw/zinc/54/39/42/451543942.db2.gz ZQTOWSARYVZFIS-UHFFFAOYSA-N 2 2 335.448 1.013 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000638514527 451553975 /nfs/dbraw/zinc/55/39/75/451553975.db2.gz UFYCYTOYONLQLI-OALUTQOASA-N 3 2 346.519 1.634 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000638514527 451553978 /nfs/dbraw/zinc/55/39/78/451553978.db2.gz UFYCYTOYONLQLI-OALUTQOASA-N 3 2 346.519 1.634 20 0 EDADLP Cc1nc2ccccc2nc1C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000638522702 451557193 /nfs/dbraw/zinc/55/71/93/451557193.db2.gz OWCRAXZKVYQRFC-UHFFFAOYSA-N 2 2 341.459 1.580 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)c[nH]c1=O ZINC000636172318 451562712 /nfs/dbraw/zinc/56/27/12/451562712.db2.gz WZRRZSAHXJVWDT-UHFFFAOYSA-N 2 2 348.369 1.419 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C(F)(F)F)c[nH]c1=O ZINC000636172318 451562717 /nfs/dbraw/zinc/56/27/17/451562717.db2.gz WZRRZSAHXJVWDT-UHFFFAOYSA-N 2 2 348.369 1.419 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2C[NH2+]CCC2(F)F)nc(C(C)C)[nH+]1 ZINC000638584272 451589303 /nfs/dbraw/zinc/58/93/03/451589303.db2.gz RYRFJVUXWBPCQW-GFCCVEGCSA-N 2 2 341.406 1.681 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)nc(C(C)C)[nH+]1 ZINC000638583726 451589541 /nfs/dbraw/zinc/58/95/41/451589541.db2.gz DLLRNYNUVIGNSG-CABCVRRESA-N 2 2 331.464 1.967 20 0 EDADLP C/C=C\C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631114040 451591257 /nfs/dbraw/zinc/59/12/57/451591257.db2.gz PLOMFSHNIZXWSZ-LHRDXKRPSA-N 2 2 334.460 1.814 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000636223526 451600767 /nfs/dbraw/zinc/60/07/67/451600767.db2.gz HHARPSOJXLKNLJ-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000636223526 451600771 /nfs/dbraw/zinc/60/07/71/451600771.db2.gz HHARPSOJXLKNLJ-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000636223526 451600773 /nfs/dbraw/zinc/60/07/73/451600773.db2.gz HHARPSOJXLKNLJ-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000636223526 451600775 /nfs/dbraw/zinc/60/07/75/451600775.db2.gz HHARPSOJXLKNLJ-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638566144 451579808 /nfs/dbraw/zinc/57/98/08/451579808.db2.gz BQOODPKFEQOBOK-GFCCVEGCSA-N 2 2 331.507 1.606 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638566144 451579811 /nfs/dbraw/zinc/57/98/11/451579811.db2.gz BQOODPKFEQOBOK-GFCCVEGCSA-N 2 2 331.507 1.606 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000636988035 451663999 /nfs/dbraw/zinc/66/39/99/451663999.db2.gz SSNKKIGCJLTZTD-CVEARBPZSA-N 2 2 340.537 1.692 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CCC1 ZINC000631154233 451613060 /nfs/dbraw/zinc/61/30/60/451613060.db2.gz HQCGBXIITVIWOL-IBGZPJMESA-N 2 2 334.460 1.648 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1-c1ccco1 ZINC000631276399 451677408 /nfs/dbraw/zinc/67/74/08/451677408.db2.gz OOMVCZNCYKIJLM-UHFFFAOYSA-N 2 2 345.447 1.768 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1-c1ccco1 ZINC000631276399 451677413 /nfs/dbraw/zinc/67/74/13/451677413.db2.gz OOMVCZNCYKIJLM-UHFFFAOYSA-N 2 2 345.447 1.768 20 0 EDADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638752823 451678726 /nfs/dbraw/zinc/67/87/26/451678726.db2.gz ZXHDMHVNVFKGJV-DLBZAZTESA-N 2 2 347.459 1.710 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638851621 451710331 /nfs/dbraw/zinc/71/03/31/451710331.db2.gz LAWOEQFPAZNGGC-NXHRZFHOSA-N 3 2 332.492 1.150 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638851621 451710334 /nfs/dbraw/zinc/71/03/34/451710334.db2.gz LAWOEQFPAZNGGC-NXHRZFHOSA-N 3 2 332.492 1.150 20 0 EDADLP C[C@@H]1C[C@@H]1c1noc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631363028 451711144 /nfs/dbraw/zinc/71/11/44/451711144.db2.gz HENGBBKGRANXQH-DYEKYZERSA-N 2 2 333.436 1.091 20 0 EDADLP C[C@@H]1C[C@@H]1c1noc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631363028 451711148 /nfs/dbraw/zinc/71/11/48/451711148.db2.gz HENGBBKGRANXQH-DYEKYZERSA-N 2 2 333.436 1.091 20 0 EDADLP COc1cccc(CC2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000638859458 451713187 /nfs/dbraw/zinc/71/31/87/451713187.db2.gz IZRDDOSBRHIWOK-GOSISDBHSA-N 2 2 333.476 1.755 20 0 EDADLP C[C@@H](CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C[NH+]1CCOCC1 ZINC000631418412 451731503 /nfs/dbraw/zinc/73/15/03/451731503.db2.gz HPQUNUQUUOHEOQ-INIZCTEOSA-N 2 2 342.443 1.499 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1noc2c1CCCC2 ZINC000638987248 451747398 /nfs/dbraw/zinc/74/73/98/451747398.db2.gz DSXTUZTWYXHTDK-UHFFFAOYSA-N 2 2 327.388 1.610 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)s1 ZINC000639148753 451777796 /nfs/dbraw/zinc/77/77/96/451777796.db2.gz JLLFIXWIMAFPCG-UHFFFAOYSA-N 2 2 326.447 1.218 20 0 EDADLP O[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000639215143 451793249 /nfs/dbraw/zinc/79/32/49/451793249.db2.gz XWPJQHIRIGDMOC-GOSISDBHSA-N 2 2 334.460 1.744 20 0 EDADLP O[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000639215143 451793252 /nfs/dbraw/zinc/79/32/52/451793252.db2.gz XWPJQHIRIGDMOC-GOSISDBHSA-N 2 2 334.460 1.744 20 0 EDADLP OC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639224020 451794836 /nfs/dbraw/zinc/79/48/36/451794836.db2.gz YABIXDAKEGMSCX-MSOLQXFVSA-N 2 2 334.460 1.648 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)nc(C(C)C)[nH+]1 ZINC000637411831 451839778 /nfs/dbraw/zinc/83/97/78/451839778.db2.gz UOJIOUCYUPBUGQ-HNNXBMFYSA-N 2 2 348.495 1.913 20 0 EDADLP C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639274076 451802467 /nfs/dbraw/zinc/80/24/67/451802467.db2.gz OLZISEXYIZYBDY-PKOBYXMFSA-N 2 2 348.487 1.848 20 0 EDADLP C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639274076 451802469 /nfs/dbraw/zinc/80/24/69/451802469.db2.gz OLZISEXYIZYBDY-PKOBYXMFSA-N 2 2 348.487 1.848 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000641279203 451804653 /nfs/dbraw/zinc/80/46/53/451804653.db2.gz OJBOIHPRQSEXPI-DLBZAZTESA-N 2 2 349.500 1.580 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000641279203 451804659 /nfs/dbraw/zinc/80/46/59/451804659.db2.gz OJBOIHPRQSEXPI-DLBZAZTESA-N 2 2 349.500 1.580 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000641279203 451804664 /nfs/dbraw/zinc/80/46/64/451804664.db2.gz OJBOIHPRQSEXPI-DLBZAZTESA-N 2 2 349.500 1.580 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000641279203 451804672 /nfs/dbraw/zinc/80/46/72/451804672.db2.gz OJBOIHPRQSEXPI-DLBZAZTESA-N 2 2 349.500 1.580 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644525247 451841444 /nfs/dbraw/zinc/84/14/44/451841444.db2.gz DGNXSDRHHPXEPR-VQIMIIECSA-N 3 2 330.476 1.910 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644525247 451841448 /nfs/dbraw/zinc/84/14/48/451841448.db2.gz DGNXSDRHHPXEPR-VQIMIIECSA-N 3 2 330.476 1.910 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000641338665 451862414 /nfs/dbraw/zinc/86/24/14/451862414.db2.gz LYHKMHRLMYDUFC-OAHLLOKOSA-N 2 2 326.466 1.163 20 0 EDADLP CN(C)c1[nH+]cc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)n1C ZINC000639392837 451863650 /nfs/dbraw/zinc/86/36/50/451863650.db2.gz MHFKISZOHUJFAI-UHFFFAOYSA-N 2 2 329.448 1.510 20 0 EDADLP C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641353498 451881111 /nfs/dbraw/zinc/88/11/11/451881111.db2.gz IRHGWHUNKRITQJ-CYBMUJFWSA-N 2 2 325.478 1.293 20 0 EDADLP C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641353498 451881121 /nfs/dbraw/zinc/88/11/21/451881121.db2.gz IRHGWHUNKRITQJ-CYBMUJFWSA-N 2 2 325.478 1.293 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3cc[nH+]cc3F)c2)C1 ZINC000641363002 451895390 /nfs/dbraw/zinc/89/53/90/451895390.db2.gz JRPMWFNNEVKBBZ-MRXNPFEDSA-N 2 2 342.418 1.952 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3cc[nH+]cc3F)c2)C1 ZINC000641363002 451895398 /nfs/dbraw/zinc/89/53/98/451895398.db2.gz JRPMWFNNEVKBBZ-MRXNPFEDSA-N 2 2 342.418 1.952 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC000651539819 451900640 /nfs/dbraw/zinc/90/06/40/451900640.db2.gz PTVXOGMNYJCDMF-DZGCQCFKSA-N 2 2 331.420 1.864 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC000651539819 451900645 /nfs/dbraw/zinc/90/06/45/451900645.db2.gz PTVXOGMNYJCDMF-DZGCQCFKSA-N 2 2 331.420 1.864 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)cc(C)[nH+]1 ZINC000653435051 451948943 /nfs/dbraw/zinc/94/89/43/451948943.db2.gz QNXIPGZBPDMWNN-UHFFFAOYSA-N 2 2 334.464 1.409 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCCC[N@H+](C)CC(C)C)cc(C)[nH+]1 ZINC000653435051 451948950 /nfs/dbraw/zinc/94/89/50/451948950.db2.gz QNXIPGZBPDMWNN-UHFFFAOYSA-N 2 2 334.464 1.409 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000651541188 451900281 /nfs/dbraw/zinc/90/02/81/451900281.db2.gz HTGVMUOLHPCHAY-MRXNPFEDSA-N 2 2 334.464 1.115 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000651541188 451900290 /nfs/dbraw/zinc/90/02/90/451900290.db2.gz HTGVMUOLHPCHAY-MRXNPFEDSA-N 2 2 334.464 1.115 20 0 EDADLP Cc1nocc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637618365 451974292 /nfs/dbraw/zinc/97/42/92/451974292.db2.gz JSTVGKNTBRVKMN-MRXNPFEDSA-N 2 2 335.452 1.293 20 0 EDADLP Cc1nocc1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637618365 451974298 /nfs/dbraw/zinc/97/42/98/451974298.db2.gz JSTVGKNTBRVKMN-MRXNPFEDSA-N 2 2 335.452 1.293 20 0 EDADLP O=C(NCCNc1ccc2ccccc2[nH+]1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649306841 451983802 /nfs/dbraw/zinc/98/38/02/451983802.db2.gz SRAXJDGWUWRYMO-ZDUSSCGKSA-N 2 2 334.370 1.430 20 0 EDADLP CN(C(=O)c1ncccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644795507 451993779 /nfs/dbraw/zinc/99/37/79/451993779.db2.gz BDLKXHNMIQPOSB-AWEZNQCLSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1ncccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644795507 451993785 /nfs/dbraw/zinc/99/37/85/451993785.db2.gz BDLKXHNMIQPOSB-AWEZNQCLSA-N 2 2 336.867 1.976 20 0 EDADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000647056189 452033615 /nfs/dbraw/zinc/03/36/15/452033615.db2.gz VQIQTWMNSBDOSV-QGZVFWFLSA-N 2 2 329.444 1.391 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000649352431 452035089 /nfs/dbraw/zinc/03/50/89/452035089.db2.gz RBQIVNVGKNWUFH-ZACQAIPSSA-N 2 2 345.491 1.468 20 0 EDADLP CNC(=O)c1cc(O[C@@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)ccn1 ZINC000639701709 452037862 /nfs/dbraw/zinc/03/78/62/452037862.db2.gz IJPUHMDOXLMYBL-MRXNPFEDSA-N 2 2 343.431 1.261 20 0 EDADLP CNC(=O)c1cc(O[C@@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)ccn1 ZINC000639701709 452037866 /nfs/dbraw/zinc/03/78/66/452037866.db2.gz IJPUHMDOXLMYBL-MRXNPFEDSA-N 2 2 343.431 1.261 20 0 EDADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000644868208 452040625 /nfs/dbraw/zinc/04/06/25/452040625.db2.gz FRGFMWWERSGGSG-USXIJHARSA-N 2 2 342.443 1.767 20 0 EDADLP C[C@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000644868208 452040631 /nfs/dbraw/zinc/04/06/31/452040631.db2.gz FRGFMWWERSGGSG-USXIJHARSA-N 2 2 342.443 1.767 20 0 EDADLP COc1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC000644905031 452062842 /nfs/dbraw/zinc/06/28/42/452062842.db2.gz XLYGARBBYRPYNF-UKRRQHHQSA-N 2 2 333.432 1.859 20 0 EDADLP COc1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1 ZINC000644905031 452062844 /nfs/dbraw/zinc/06/28/44/452062844.db2.gz XLYGARBBYRPYNF-UKRRQHHQSA-N 2 2 333.432 1.859 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000649416163 452077527 /nfs/dbraw/zinc/07/75/27/452077527.db2.gz URJKFQAKILRBAE-UHFFFAOYSA-N 3 2 344.503 1.712 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000649415250 452077744 /nfs/dbraw/zinc/07/77/44/452077744.db2.gz RNAQYOKDXPMWLU-PMPSAXMXSA-N 2 2 331.464 1.298 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)C2=O)n(C)n1 ZINC000649415250 452077747 /nfs/dbraw/zinc/07/77/47/452077747.db2.gz RNAQYOKDXPMWLU-PMPSAXMXSA-N 2 2 331.464 1.298 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000649416828 452080354 /nfs/dbraw/zinc/08/03/54/452080354.db2.gz NACTXFMTKPIXPS-RBUKOAKNSA-N 3 2 344.503 1.390 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000649416828 452080361 /nfs/dbraw/zinc/08/03/61/452080361.db2.gz NACTXFMTKPIXPS-RBUKOAKNSA-N 3 2 344.503 1.390 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)nn3)C2)C1 ZINC000653695574 452080635 /nfs/dbraw/zinc/08/06/35/452080635.db2.gz WJUNFGBICHJLDZ-AWEZNQCLSA-N 2 2 330.354 1.945 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)nn3)C2)C1 ZINC000653695574 452080641 /nfs/dbraw/zinc/08/06/41/452080641.db2.gz WJUNFGBICHJLDZ-AWEZNQCLSA-N 2 2 330.354 1.945 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)nn3)C2)C1 ZINC000653695574 452080647 /nfs/dbraw/zinc/08/06/47/452080647.db2.gz WJUNFGBICHJLDZ-AWEZNQCLSA-N 2 2 330.354 1.945 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)nn3)C2)C1 ZINC000653695574 452080656 /nfs/dbraw/zinc/08/06/56/452080656.db2.gz WJUNFGBICHJLDZ-AWEZNQCLSA-N 2 2 330.354 1.945 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000643235431 452086668 /nfs/dbraw/zinc/08/66/68/452086668.db2.gz UPDBQKMSLJRDAD-HWOWSKLDSA-N 2 2 331.464 1.832 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000643250848 452095099 /nfs/dbraw/zinc/09/50/99/452095099.db2.gz TWQIENFBVZQHGQ-UXHICEINSA-N 2 2 346.471 1.899 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000643250848 452095104 /nfs/dbraw/zinc/09/51/04/452095104.db2.gz TWQIENFBVZQHGQ-UXHICEINSA-N 2 2 346.471 1.899 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762604 452102734 /nfs/dbraw/zinc/10/27/34/452102734.db2.gz NSDFRUXXQRQOMV-ZWOKBUDYSA-N 2 2 347.503 1.949 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762604 452102738 /nfs/dbraw/zinc/10/27/38/452102738.db2.gz NSDFRUXXQRQOMV-ZWOKBUDYSA-N 2 2 347.503 1.949 20 0 EDADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765989 452107553 /nfs/dbraw/zinc/10/75/53/452107553.db2.gz MJESMIWHXNNRPL-MBOZVWFJSA-N 2 2 347.503 1.683 20 0 EDADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765989 452107558 /nfs/dbraw/zinc/10/75/58/452107558.db2.gz MJESMIWHXNNRPL-MBOZVWFJSA-N 2 2 347.503 1.683 20 0 EDADLP COc1ncncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000647185819 452112974 /nfs/dbraw/zinc/11/29/74/452112974.db2.gz RQSGCDNSEMVXNF-MSOLQXFVSA-N 2 2 342.443 1.458 20 0 EDADLP COc1ncncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000647185819 452112978 /nfs/dbraw/zinc/11/29/78/452112978.db2.gz RQSGCDNSEMVXNF-MSOLQXFVSA-N 2 2 342.443 1.458 20 0 EDADLP Cc1ccnc(Nc2cccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2)n1 ZINC000637864574 452121620 /nfs/dbraw/zinc/12/16/20/452121620.db2.gz UPUPGYDNBJTWKV-INIZCTEOSA-N 2 2 340.431 1.244 20 0 EDADLP Cc1ccnc(Nc2cccc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2)n1 ZINC000637864574 452121626 /nfs/dbraw/zinc/12/16/26/452121626.db2.gz UPUPGYDNBJTWKV-INIZCTEOSA-N 2 2 340.431 1.244 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)C[C@@H]1C(C)(C)C1(F)F ZINC000641608026 452127752 /nfs/dbraw/zinc/12/77/52/452127752.db2.gz ZDXKOAXFQWEYCN-GFCCVEGCSA-N 2 2 341.468 1.081 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)C[C@@H]1C(C)(C)C1(F)F ZINC000641608026 452127757 /nfs/dbraw/zinc/12/77/57/452127757.db2.gz ZDXKOAXFQWEYCN-GFCCVEGCSA-N 2 2 341.468 1.081 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000649565692 452148047 /nfs/dbraw/zinc/14/80/47/452148047.db2.gz QXOBTMLNWAVRPK-UHFFFAOYSA-N 2 2 331.508 1.820 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC[NH+]3CCCCC3)cn21 ZINC000645137434 452172888 /nfs/dbraw/zinc/17/28/88/452172888.db2.gz WNLFESXWUYZWDV-UHFFFAOYSA-N 2 2 329.448 1.970 20 0 EDADLP Cc1[nH]c2nc[nH+]c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2c1C ZINC000645157248 452182486 /nfs/dbraw/zinc/18/24/86/452182486.db2.gz NIQIXMRYDMRMBV-UHFFFAOYSA-N 2 2 342.447 1.319 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641713952 452214356 /nfs/dbraw/zinc/21/43/56/452214356.db2.gz LCSCYCURKTZMSP-INIZCTEOSA-N 2 2 345.447 1.301 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641713952 452214360 /nfs/dbraw/zinc/21/43/60/452214360.db2.gz LCSCYCURKTZMSP-INIZCTEOSA-N 2 2 345.447 1.301 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cn21 ZINC000645263695 452242955 /nfs/dbraw/zinc/24/29/55/452242955.db2.gz SXZWSRAFZQEUJJ-HNNXBMFYSA-N 2 2 327.432 1.721 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CC[N@H+](C4CC4)C3)cn21 ZINC000645263695 452242960 /nfs/dbraw/zinc/24/29/60/452242960.db2.gz SXZWSRAFZQEUJJ-HNNXBMFYSA-N 2 2 327.432 1.721 20 0 EDADLP c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)C2 ZINC000641785602 452257143 /nfs/dbraw/zinc/25/71/43/452257143.db2.gz CLSPHODSBDVVRA-NHCUHLMSSA-N 2 2 343.515 1.930 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(CO)c1 ZINC000641787297 452259775 /nfs/dbraw/zinc/25/97/75/452259775.db2.gz UGGUXIYOGCOAQO-XLIONFOSSA-N 2 2 347.503 1.626 20 0 EDADLP CCc1nn(C)cc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000647537240 452271115 /nfs/dbraw/zinc/27/11/15/452271115.db2.gz MWFKZFWYPMIKJG-UHFFFAOYSA-N 2 2 329.452 1.057 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000641801484 452276473 /nfs/dbraw/zinc/27/64/73/452276473.db2.gz RCWUDUZAKSOMGB-CABCVRRESA-N 2 2 349.456 1.961 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@H]1C ZINC000641804079 452280491 /nfs/dbraw/zinc/28/04/91/452280491.db2.gz AKZDRTBZTHQIAP-RDBSUJKOSA-N 2 2 341.477 1.161 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@H]1C ZINC000641804079 452280497 /nfs/dbraw/zinc/28/04/97/452280497.db2.gz AKZDRTBZTHQIAP-RDBSUJKOSA-N 2 2 341.477 1.161 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487509 452285840 /nfs/dbraw/zinc/28/58/40/452285840.db2.gz GORGBDNQBMAIOT-ZJOBFFGXSA-N 2 2 335.448 1.309 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487509 452285847 /nfs/dbraw/zinc/28/58/47/452285847.db2.gz GORGBDNQBMAIOT-ZJOBFFGXSA-N 2 2 335.448 1.309 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000643537428 452299722 /nfs/dbraw/zinc/29/97/22/452299722.db2.gz HXIKSXDKFIWMSE-QEJZJMRPSA-N 2 2 341.452 1.577 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[C@H]1F ZINC000659463590 452317998 /nfs/dbraw/zinc/31/79/98/452317998.db2.gz AMPAFBRNFGNUPB-HZPDHXFCSA-N 2 2 345.422 1.707 20 0 EDADLP COC[C@]1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CCCC[NH2+]1 ZINC000638054931 452336848 /nfs/dbraw/zinc/33/68/48/452336848.db2.gz POHXNYRFDXULHI-SFHVURJKSA-N 2 2 330.432 1.620 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)C2 ZINC000652145082 452337891 /nfs/dbraw/zinc/33/78/91/452337891.db2.gz CCOAFCSVSREAQS-FZMZJTMJSA-N 2 2 345.369 1.716 20 0 EDADLP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638058902 452348604 /nfs/dbraw/zinc/34/86/04/452348604.db2.gz CNRAXKMFNVNROO-SFHVURJKSA-N 2 2 332.492 1.388 20 0 EDADLP COC[C@]1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CCCC[NH2+]1 ZINC000638060333 452351972 /nfs/dbraw/zinc/35/19/72/452351972.db2.gz ZQAUDFDZMZYRQM-KRWDZBQOSA-N 2 2 337.489 1.551 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000638060615 452352202 /nfs/dbraw/zinc/35/22/02/452352202.db2.gz ZACLFSIEVCYJPW-INIZCTEOSA-N 2 2 346.475 1.776 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C[N@@H+]1C1CC1 ZINC000657594000 452359686 /nfs/dbraw/zinc/35/96/86/452359686.db2.gz GDVBSOZNNPKNRZ-ZTNFWEORSA-N 3 2 329.488 1.968 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C[N@H+]1C1CC1 ZINC000657594000 452359692 /nfs/dbraw/zinc/35/96/92/452359692.db2.gz GDVBSOZNNPKNRZ-ZTNFWEORSA-N 3 2 329.488 1.968 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C[NH+]1C1CC1 ZINC000657594000 452359700 /nfs/dbraw/zinc/35/97/00/452359700.db2.gz GDVBSOZNNPKNRZ-ZTNFWEORSA-N 3 2 329.488 1.968 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[NH+]1C1CC1 ZINC000657594000 452359710 /nfs/dbraw/zinc/35/97/10/452359710.db2.gz GDVBSOZNNPKNRZ-ZTNFWEORSA-N 3 2 329.488 1.968 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nn1 ZINC000657597220 452366011 /nfs/dbraw/zinc/36/60/11/452366011.db2.gz RAYYEVKLYYPVIZ-SFHVURJKSA-N 2 2 329.448 1.715 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)nn1 ZINC000657597220 452366017 /nfs/dbraw/zinc/36/60/17/452366017.db2.gz RAYYEVKLYYPVIZ-SFHVURJKSA-N 2 2 329.448 1.715 20 0 EDADLP C[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)[N@@H+]1CCc2sccc2C1 ZINC000638073449 452383720 /nfs/dbraw/zinc/38/37/20/452383720.db2.gz YZAYRUPZIRJZCT-NSHDSACASA-N 2 2 331.445 1.173 20 0 EDADLP C[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)[N@H+]1CCc2sccc2C1 ZINC000638073449 452383726 /nfs/dbraw/zinc/38/37/26/452383726.db2.gz YZAYRUPZIRJZCT-NSHDSACASA-N 2 2 331.445 1.173 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659524119 452387655 /nfs/dbraw/zinc/38/76/55/452387655.db2.gz ZYFWDZNGFYOGMZ-INIZCTEOSA-N 2 2 326.485 1.114 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000654349867 452400992 /nfs/dbraw/zinc/40/09/92/452400992.db2.gz RHUBDWQVTHHZLX-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC(C)(CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000654349218 452401193 /nfs/dbraw/zinc/40/11/93/452401193.db2.gz BQVROKCGVVJVGM-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCOCC1 ZINC000654349218 452401202 /nfs/dbraw/zinc/40/12/02/452401202.db2.gz BQVROKCGVVJVGM-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP O=C(NCCC1CC[NH2+]CC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659561158 452417703 /nfs/dbraw/zinc/41/77/03/452417703.db2.gz HATCEJAJUOYDEI-UHFFFAOYSA-N 2 2 338.496 1.130 20 0 EDADLP Cc1ccc(C(N)=O)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665889453 452442911 /nfs/dbraw/zinc/44/29/11/452442911.db2.gz DZIRFXVPDNZTED-UHFFFAOYSA-N 2 2 335.452 1.099 20 0 EDADLP Cc1ccc(C(N)=O)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665889453 452442916 /nfs/dbraw/zinc/44/29/16/452442916.db2.gz DZIRFXVPDNZTED-UHFFFAOYSA-N 2 2 335.452 1.099 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCc4ccc(O)cc43)cn2)CC1 ZINC000657694757 452452916 /nfs/dbraw/zinc/45/29/16/452452916.db2.gz WCCYFNYRDDPIPC-GOSISDBHSA-N 2 2 339.443 1.711 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645484294 452455316 /nfs/dbraw/zinc/45/53/16/452455316.db2.gz DBIRJKZAZDBRBU-QGZVFWFLSA-N 2 2 330.476 1.761 20 0 EDADLP C[C@H](COc1c(F)cccc1F)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659599316 452456068 /nfs/dbraw/zinc/45/60/68/452456068.db2.gz YHXVOJVHRPETEG-VXGBXAGGSA-N 2 2 342.390 1.016 20 0 EDADLP Cc1nc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(Br)c(C)[nH+]1 ZINC000663730600 452465457 /nfs/dbraw/zinc/46/54/57/452465457.db2.gz WVCZQXSAVZLWQC-KCJUWKMLSA-N 2 2 329.242 1.987 20 0 EDADLP Cc1nc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(Br)c(C)[nH+]1 ZINC000663730600 452465463 /nfs/dbraw/zinc/46/54/63/452465463.db2.gz WVCZQXSAVZLWQC-KCJUWKMLSA-N 2 2 329.242 1.987 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3[NH2+]CC3(C)C)c[nH+]2)C[C@@H](C)O1 ZINC000645509235 452477200 /nfs/dbraw/zinc/47/72/00/452477200.db2.gz DNVAUJRRXFXZSR-IOASZLSFSA-N 2 2 332.448 1.309 20 0 EDADLP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657751820 452499744 /nfs/dbraw/zinc/49/97/44/452499744.db2.gz LBHQYTZIERLYKJ-GOSISDBHSA-N 3 2 327.432 1.610 20 0 EDADLP c1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657751820 452499750 /nfs/dbraw/zinc/49/97/50/452499750.db2.gz LBHQYTZIERLYKJ-GOSISDBHSA-N 2 2 327.432 1.610 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000659647020 452507803 /nfs/dbraw/zinc/50/78/03/452507803.db2.gz RUJOJDHZFZCZAT-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NCCCOc2cccc(C)c2)C[C@H]1C[NH3+] ZINC000652356821 452534653 /nfs/dbraw/zinc/53/46/53/452534653.db2.gz KCWXSOABOJNIGW-SJLPKXTDSA-N 2 2 349.475 1.176 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCCOc2cccc(C)c2)C[C@H]1C[NH3+] ZINC000652356821 452534667 /nfs/dbraw/zinc/53/46/67/452534667.db2.gz KCWXSOABOJNIGW-SJLPKXTDSA-N 2 2 349.475 1.176 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cn1 ZINC000655715750 452535630 /nfs/dbraw/zinc/53/56/30/452535630.db2.gz NGNGRDXZNJRBIL-IRXDYDNUSA-N 2 2 333.480 1.232 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH3+] ZINC000652358228 452538691 /nfs/dbraw/zinc/53/86/91/452538691.db2.gz MUWBCPDLEAOGNQ-KZLOYSICSA-N 2 2 349.519 1.756 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH3+] ZINC000652358228 452538699 /nfs/dbraw/zinc/53/86/99/452538699.db2.gz MUWBCPDLEAOGNQ-KZLOYSICSA-N 2 2 349.519 1.756 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH3+] ZINC000652358227 452538873 /nfs/dbraw/zinc/53/88/73/452538873.db2.gz MUWBCPDLEAOGNQ-CDAMIZFSSA-N 2 2 349.519 1.756 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH3+] ZINC000652358227 452538883 /nfs/dbraw/zinc/53/88/83/452538883.db2.gz MUWBCPDLEAOGNQ-CDAMIZFSSA-N 2 2 349.519 1.756 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814554 452544267 /nfs/dbraw/zinc/54/42/67/452544267.db2.gz SXSIYFSHVLBODW-UHFFFAOYSA-N 2 2 333.432 1.859 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814554 452544274 /nfs/dbraw/zinc/54/42/74/452544274.db2.gz SXSIYFSHVLBODW-UHFFFAOYSA-N 2 2 333.432 1.859 20 0 EDADLP CC[C@](C)(CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370590 452556062 /nfs/dbraw/zinc/55/60/62/452556062.db2.gz FUDBHVACTWRNRN-RHSMWYFYSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@](C)(CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370590 452556070 /nfs/dbraw/zinc/55/60/70/452556070.db2.gz FUDBHVACTWRNRN-RHSMWYFYSA-N 2 2 326.485 1.269 20 0 EDADLP NC(=O)C[N@@H+]1CCc2ccc(N[C@@H]3CCCn4cc[nH+]c43)cc2C1 ZINC000655762259 452563590 /nfs/dbraw/zinc/56/35/90/452563590.db2.gz VJCIETUBKOEMEP-MRXNPFEDSA-N 2 2 325.416 1.674 20 0 EDADLP NC(=O)C[N@H+]1CCc2ccc(N[C@@H]3CCCn4cc[nH+]c43)cc2C1 ZINC000655762259 452563595 /nfs/dbraw/zinc/56/35/95/452563595.db2.gz VJCIETUBKOEMEP-MRXNPFEDSA-N 2 2 325.416 1.674 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000663847225 452573016 /nfs/dbraw/zinc/57/30/16/452573016.db2.gz PRBSQKMVDXGPHF-IAGOWNOFSA-N 2 2 336.455 1.864 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000663847225 452573024 /nfs/dbraw/zinc/57/30/24/452573024.db2.gz PRBSQKMVDXGPHF-IAGOWNOFSA-N 2 2 336.455 1.864 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@H]3COC4(CCC4)C3)CC2)cc[nH+]1 ZINC000657863002 452576217 /nfs/dbraw/zinc/57/62/17/452576217.db2.gz HJJLNOIPCCZASY-QGZVFWFLSA-N 3 2 330.476 1.895 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2cnccc2o1 ZINC000657884513 452590748 /nfs/dbraw/zinc/59/07/48/452590748.db2.gz UQZUZYBLITZIQQ-RDJZCZTQSA-N 2 2 344.459 1.885 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000654581993 452666383 /nfs/dbraw/zinc/66/63/83/452666383.db2.gz NERIXTXVGLODBG-UHFFFAOYSA-N 2 2 347.488 1.294 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)n1 ZINC000654581993 452666389 /nfs/dbraw/zinc/66/63/89/452666389.db2.gz NERIXTXVGLODBG-UHFFFAOYSA-N 2 2 347.488 1.294 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)CN1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000647933313 452674185 /nfs/dbraw/zinc/67/41/85/452674185.db2.gz JWHUPWHDFZPPFX-KRWDZBQOSA-N 2 2 327.432 1.187 20 0 EDADLP CC[C@@H]1C[N@H+](CCOc2cccc(S(C)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647937249 452680356 /nfs/dbraw/zinc/68/03/56/452680356.db2.gz UHFRBIMOASBBQX-CZUORRHYSA-N 2 2 326.462 1.528 20 0 EDADLP CC[C@@H]1C[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)CC[C@H]1[NH3+] ZINC000647937249 452680363 /nfs/dbraw/zinc/68/03/63/452680363.db2.gz UHFRBIMOASBBQX-CZUORRHYSA-N 2 2 326.462 1.528 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(F)(F)F ZINC000655922349 452686255 /nfs/dbraw/zinc/68/62/55/452686255.db2.gz PYFWKUPEPBYIQU-CYBMUJFWSA-N 2 2 347.385 1.975 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957553 452702348 /nfs/dbraw/zinc/70/23/48/452702348.db2.gz APFOKGOTKZDTMI-KXBFYZLASA-N 2 2 331.460 1.948 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957553 452702356 /nfs/dbraw/zinc/70/23/56/452702356.db2.gz APFOKGOTKZDTMI-KXBFYZLASA-N 2 2 331.460 1.948 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)C1 ZINC000664003150 452703767 /nfs/dbraw/zinc/70/37/67/452703767.db2.gz OISRUHCWNAEIRD-QGZVFWFLSA-N 3 2 341.544 1.290 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)C1 ZINC000664003150 452703774 /nfs/dbraw/zinc/70/37/74/452703774.db2.gz OISRUHCWNAEIRD-QGZVFWFLSA-N 3 2 341.544 1.290 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000664003150 452703781 /nfs/dbraw/zinc/70/37/81/452703781.db2.gz OISRUHCWNAEIRD-QGZVFWFLSA-N 3 2 341.544 1.290 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000664003150 452703792 /nfs/dbraw/zinc/70/37/92/452703792.db2.gz OISRUHCWNAEIRD-QGZVFWFLSA-N 3 2 341.544 1.290 20 0 EDADLP [NH3+]CC1(O)CC[NH+](Cc2noc(-c3c(F)cccc3Cl)n2)CC1 ZINC000647992525 452735180 /nfs/dbraw/zinc/73/51/80/452735180.db2.gz KPNHYEKABRWIRR-UHFFFAOYSA-N 2 2 340.786 1.815 20 0 EDADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000659876346 452751450 /nfs/dbraw/zinc/75/14/50/452751450.db2.gz FZNAYNUPDODHLN-UHFFFAOYSA-N 2 2 329.466 1.479 20 0 EDADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000659876346 452751457 /nfs/dbraw/zinc/75/14/57/452751457.db2.gz FZNAYNUPDODHLN-UHFFFAOYSA-N 2 2 329.466 1.479 20 0 EDADLP COCc1n[nH]c(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000658159247 452765535 /nfs/dbraw/zinc/76/55/35/452765535.db2.gz OZGIDXAGBZERBZ-CYBMUJFWSA-N 2 2 333.436 1.742 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H]4COC[C@@H]4C3)c2cc1C ZINC000662037325 452790336 /nfs/dbraw/zinc/79/03/36/452790336.db2.gz JZSKQATUMAQAJU-YESZJQIVSA-N 2 2 329.444 1.982 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H]4COC[C@@H]4C3)c2cc1C ZINC000662037325 452790343 /nfs/dbraw/zinc/79/03/43/452790343.db2.gz JZSKQATUMAQAJU-YESZJQIVSA-N 2 2 329.444 1.982 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658342503 452855631 /nfs/dbraw/zinc/85/56/31/452855631.db2.gz NUHYOLQFCKBJJG-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658342503 452855644 /nfs/dbraw/zinc/85/56/44/452855644.db2.gz NUHYOLQFCKBJJG-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658342503 452855657 /nfs/dbraw/zinc/85/56/57/452855657.db2.gz NUHYOLQFCKBJJG-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658342503 452855668 /nfs/dbraw/zinc/85/56/68/452855668.db2.gz NUHYOLQFCKBJJG-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC[NH+]1C ZINC000658342503 452855682 /nfs/dbraw/zinc/85/56/82/452855682.db2.gz NUHYOLQFCKBJJG-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC[NH+]1C ZINC000658342503 452855697 /nfs/dbraw/zinc/85/56/97/452855697.db2.gz NUHYOLQFCKBJJG-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP CC(C)NC(=O)NCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000645862115 452859114 /nfs/dbraw/zinc/85/91/14/452859114.db2.gz DYWJNTOPCJXFKP-IBGZPJMESA-N 2 2 348.491 1.263 20 0 EDADLP CC(C)NC(=O)NCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000645862115 452859119 /nfs/dbraw/zinc/85/91/19/452859119.db2.gz DYWJNTOPCJXFKP-IBGZPJMESA-N 2 2 348.491 1.263 20 0 EDADLP CC(C)NC(=O)NCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000645862115 452859122 /nfs/dbraw/zinc/85/91/22/452859122.db2.gz DYWJNTOPCJXFKP-IBGZPJMESA-N 2 2 348.491 1.263 20 0 EDADLP CC(C)NC(=O)NCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000645862115 452859128 /nfs/dbraw/zinc/85/91/28/452859128.db2.gz DYWJNTOPCJXFKP-IBGZPJMESA-N 2 2 348.491 1.263 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2F)CC1 ZINC000662162814 452904309 /nfs/dbraw/zinc/90/43/09/452904309.db2.gz RXAMFWILWVWGEM-MLGOLLRUSA-N 2 2 341.402 1.140 20 0 EDADLP Cc1cccc(C)c1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658428218 452957091 /nfs/dbraw/zinc/95/70/91/452957091.db2.gz UNPPXQUNDJSAHV-UHFFFAOYSA-N 2 2 334.464 1.242 20 0 EDADLP Cc1cccc(C)c1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658428218 452957099 /nfs/dbraw/zinc/95/70/99/452957099.db2.gz UNPPXQUNDJSAHV-UHFFFAOYSA-N 2 2 334.464 1.242 20 0 EDADLP Cc1ccc(C)c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658428127 452957522 /nfs/dbraw/zinc/95/75/22/452957522.db2.gz LNYNBNNLZFUKFJ-UHFFFAOYSA-N 2 2 334.464 1.242 20 0 EDADLP Cc1ccc(C)c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658428127 452957528 /nfs/dbraw/zinc/95/75/28/452957528.db2.gz LNYNBNNLZFUKFJ-UHFFFAOYSA-N 2 2 334.464 1.242 20 0 EDADLP CO[C@@]1(C)C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664281162 452961898 /nfs/dbraw/zinc/96/18/98/452961898.db2.gz NCIBBSFMBUKILZ-PBHICJAKSA-N 2 2 328.501 1.373 20 0 EDADLP CO[C@@]1(C)C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000664281162 452961905 /nfs/dbraw/zinc/96/19/05/452961905.db2.gz NCIBBSFMBUKILZ-PBHICJAKSA-N 2 2 328.501 1.373 20 0 EDADLP CCc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662252979 452980758 /nfs/dbraw/zinc/98/07/58/452980758.db2.gz RYLZOTSPPGWTFR-SFHVURJKSA-N 2 2 343.471 1.528 20 0 EDADLP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662261026 452990378 /nfs/dbraw/zinc/99/03/78/452990378.db2.gz SSTFLAQZVAFXOY-TZMCWYRMSA-N 2 2 338.839 1.374 20 0 EDADLP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662261026 452990386 /nfs/dbraw/zinc/99/03/86/452990386.db2.gz SSTFLAQZVAFXOY-TZMCWYRMSA-N 2 2 338.839 1.374 20 0 EDADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662281074 453005341 /nfs/dbraw/zinc/00/53/41/453005341.db2.gz SIUSZDCTKNVTMN-FFZOFVMBSA-N 2 2 346.519 1.911 20 0 EDADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C[C@@H]1C[NH2+]CCO1 ZINC000662281074 453005346 /nfs/dbraw/zinc/00/53/46/453005346.db2.gz SIUSZDCTKNVTMN-FFZOFVMBSA-N 2 2 346.519 1.911 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000654886577 453007344 /nfs/dbraw/zinc/00/73/44/453007344.db2.gz DLRNMEWNUHTEIE-AKAXFMLLSA-N 2 2 341.415 1.267 20 0 EDADLP CC[C@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000662286087 453008759 /nfs/dbraw/zinc/00/87/59/453008759.db2.gz USUNCCRGLWGJBS-HNNXBMFYSA-N 2 2 339.867 1.611 20 0 EDADLP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000654890312 453009687 /nfs/dbraw/zinc/00/96/87/453009687.db2.gz REZPSSJMYXUJGK-RTBURBONSA-N 2 2 343.471 1.442 20 0 EDADLP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000654890312 453009697 /nfs/dbraw/zinc/00/96/97/453009697.db2.gz REZPSSJMYXUJGK-RTBURBONSA-N 2 2 343.471 1.442 20 0 EDADLP COc1ccc([C@@H](NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C(C)C)cc1 ZINC000662286250 453011121 /nfs/dbraw/zinc/01/11/21/453011121.db2.gz WSMNAJQCWJNWBF-SFHVURJKSA-N 2 2 349.475 1.213 20 0 EDADLP FC(F)(F)c1ccnc([C@@H]2CCC[N@@H+]2CCN2CC[NH2+]CC2)n1 ZINC000662304293 453025918 /nfs/dbraw/zinc/02/59/18/453025918.db2.gz HTBFCGPEDPAFSU-LBPRGKRZSA-N 2 2 329.370 1.538 20 0 EDADLP FC(F)(F)c1ccnc([C@@H]2CCC[N@H+]2CCN2CC[NH2+]CC2)n1 ZINC000662304293 453025925 /nfs/dbraw/zinc/02/59/25/453025925.db2.gz HTBFCGPEDPAFSU-LBPRGKRZSA-N 2 2 329.370 1.538 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000666638637 453028879 /nfs/dbraw/zinc/02/88/79/453028879.db2.gz HJZCNMAHLZTBHV-IAGOWNOFSA-N 2 2 339.443 1.699 20 0 EDADLP C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318572 453034986 /nfs/dbraw/zinc/03/49/86/453034986.db2.gz BZSBNFIOVHDDFS-CABCVRRESA-N 2 2 339.505 1.795 20 0 EDADLP C[C@H](C(=O)NCc1cccs1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318572 453034996 /nfs/dbraw/zinc/03/49/96/453034996.db2.gz BZSBNFIOVHDDFS-CABCVRRESA-N 2 2 339.505 1.795 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318599 453036431 /nfs/dbraw/zinc/03/64/31/453036431.db2.gz CHVLMPYCYQFWBZ-QZTJIDSGSA-N 2 2 333.476 1.859 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318599 453036436 /nfs/dbraw/zinc/03/64/36/453036436.db2.gz CHVLMPYCYQFWBZ-QZTJIDSGSA-N 2 2 333.476 1.859 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000664395701 453059360 /nfs/dbraw/zinc/05/93/60/453059360.db2.gz IYNZHNSMLCQVLO-BRWVUGGUSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000664395701 453059370 /nfs/dbraw/zinc/05/93/70/453059370.db2.gz IYNZHNSMLCQVLO-BRWVUGGUSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000664395701 453059376 /nfs/dbraw/zinc/05/93/76/453059376.db2.gz IYNZHNSMLCQVLO-BRWVUGGUSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000664395701 453059386 /nfs/dbraw/zinc/05/93/86/453059386.db2.gz IYNZHNSMLCQVLO-BRWVUGGUSA-N 2 2 340.512 1.373 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000662355985 453070002 /nfs/dbraw/zinc/07/00/02/453070002.db2.gz NFUMKALZZSGYCE-HNNXBMFYSA-N 2 2 349.479 1.309 20 0 EDADLP CC(=O)c1nc(CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]c1C ZINC000660156374 453087867 /nfs/dbraw/zinc/08/78/67/453087867.db2.gz RNXPCPHRCJUSPH-PBHICJAKSA-N 2 2 347.507 1.421 20 0 EDADLP CC(=O)c1nc(CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]c1C ZINC000660156374 453087877 /nfs/dbraw/zinc/08/78/77/453087877.db2.gz RNXPCPHRCJUSPH-PBHICJAKSA-N 2 2 347.507 1.421 20 0 EDADLP CC(=O)c1[nH]c(CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc1C ZINC000660156374 453087881 /nfs/dbraw/zinc/08/78/81/453087881.db2.gz RNXPCPHRCJUSPH-PBHICJAKSA-N 2 2 347.507 1.421 20 0 EDADLP CC(=O)c1[nH]c(CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc1C ZINC000660156374 453087889 /nfs/dbraw/zinc/08/78/89/453087889.db2.gz RNXPCPHRCJUSPH-PBHICJAKSA-N 2 2 347.507 1.421 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3nnn(CC[C@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000644167260 453098001 /nfs/dbraw/zinc/09/80/01/453098001.db2.gz PJWSLNZBLDGSAA-NVXWUHKLSA-N 2 2 342.447 1.246 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3nnn(CC[C@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000644167260 453098011 /nfs/dbraw/zinc/09/80/11/453098011.db2.gz PJWSLNZBLDGSAA-NVXWUHKLSA-N 2 2 342.447 1.246 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCC[C@H]3CCCC[C@@H]31)CCO2 ZINC000646102897 453103887 /nfs/dbraw/zinc/10/38/87/453103887.db2.gz WPRSIKWRUWNEEQ-MSOLQXFVSA-N 2 2 349.519 1.964 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCC[C@H]3CCCC[C@@H]31)CCO2 ZINC000646102897 453103890 /nfs/dbraw/zinc/10/38/90/453103890.db2.gz WPRSIKWRUWNEEQ-MSOLQXFVSA-N 2 2 349.519 1.964 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000662419783 453129770 /nfs/dbraw/zinc/12/97/70/453129770.db2.gz NXRBZOOJKHPAFW-MRXNPFEDSA-N 2 2 335.448 1.012 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](C2CC2)C(C)(C)CO)CC1 ZINC000664537331 453175882 /nfs/dbraw/zinc/17/58/82/453175882.db2.gz KYTNDNNAOOPLKO-INIZCTEOSA-N 2 2 340.512 1.109 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000664543873 453184525 /nfs/dbraw/zinc/18/45/25/453184525.db2.gz SGXMEHVERLMXLX-KRWDZBQOSA-N 2 2 333.480 1.715 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](c1cccnc1)C1CC1 ZINC000664543873 453184529 /nfs/dbraw/zinc/18/45/29/453184529.db2.gz SGXMEHVERLMXLX-KRWDZBQOSA-N 2 2 333.480 1.715 20 0 EDADLP COC1CC[NH+](CCNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000646180886 453192296 /nfs/dbraw/zinc/19/22/96/453192296.db2.gz ITPJMQCSQSQVKX-OAHLLOKOSA-N 2 2 327.375 1.192 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC000660304301 453196630 /nfs/dbraw/zinc/19/66/30/453196630.db2.gz DAUUJJKKSPHMQL-RDJZCZTQSA-N 2 2 339.443 1.915 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC000660304301 453196642 /nfs/dbraw/zinc/19/66/42/453196642.db2.gz DAUUJJKKSPHMQL-RDJZCZTQSA-N 2 2 339.443 1.915 20 0 EDADLP C[N@H+](CCO[C@H]1CC1(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334824 453224492 /nfs/dbraw/zinc/22/44/92/453224492.db2.gz SHERJGJHLWTHGV-DLBZAZTESA-N 2 2 340.414 1.979 20 0 EDADLP C[N@@H+](CCO[C@H]1CC1(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334824 453224498 /nfs/dbraw/zinc/22/44/98/453224498.db2.gz SHERJGJHLWTHGV-DLBZAZTESA-N 2 2 340.414 1.979 20 0 EDADLP C[NH+](CCO[C@H]1CC1(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334824 453224509 /nfs/dbraw/zinc/22/45/09/453224509.db2.gz SHERJGJHLWTHGV-DLBZAZTESA-N 2 2 340.414 1.979 20 0 EDADLP C[NH+](CCO[C@H]1CC1(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334824 453224516 /nfs/dbraw/zinc/22/45/16/453224516.db2.gz SHERJGJHLWTHGV-DLBZAZTESA-N 2 2 340.414 1.979 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn21 ZINC000646234724 453244837 /nfs/dbraw/zinc/24/48/37/453244837.db2.gz NRKKNTRQCHZKAV-GASCZTMLSA-N 2 2 327.432 1.721 20 0 EDADLP C[NH+](C)C1(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000666939501 453263049 /nfs/dbraw/zinc/26/30/49/453263049.db2.gz ZFLWGJVVPFHAGO-UHFFFAOYSA-N 2 2 344.459 1.036 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000653089254 453273381 /nfs/dbraw/zinc/27/33/81/453273381.db2.gz CHPVYQWORQCNOZ-SFHVURJKSA-N 2 2 333.476 1.721 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1[nH+]ccn1C ZINC000666950162 453274545 /nfs/dbraw/zinc/27/45/45/453274545.db2.gz JYFUNVGQOFQJID-RBSFLKMASA-N 2 2 347.463 1.424 20 0 EDADLP Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c(O[C@@H]2CCOC2)c1 ZINC000653099204 453280958 /nfs/dbraw/zinc/28/09/58/453280958.db2.gz IKLBQCXXBAJBNN-HZPDHXFCSA-N 2 2 335.448 1.058 20 0 EDADLP O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105295 453287366 /nfs/dbraw/zinc/28/73/66/453287366.db2.gz PRDSTVDADCSHJN-DJJJIMSYSA-N 2 2 340.427 1.937 20 0 EDADLP COc1cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)ccc1Cl ZINC000648816885 453298407 /nfs/dbraw/zinc/29/84/07/453298407.db2.gz OCGZROADESCLNG-UHFFFAOYSA-N 2 2 339.867 1.991 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@@H](N)CC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000653117102 453304809 /nfs/dbraw/zinc/30/48/09/453304809.db2.gz AEKVXNBNLAHGSM-PBHICJAKSA-N 2 2 334.464 1.297 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662598410 453322834 /nfs/dbraw/zinc/32/28/34/453322834.db2.gz VODWHGFHWOWGTJ-HNNXBMFYSA-N 2 2 340.431 1.514 20 0 EDADLP CCOc1ccc(Cl)cc1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653154932 453345428 /nfs/dbraw/zinc/34/54/28/453345428.db2.gz DLTWDZGNEQTXHQ-CQSZACIVSA-N 2 2 327.856 1.676 20 0 EDADLP Cc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1Br ZINC000653155669 453346885 /nfs/dbraw/zinc/34/68/85/453346885.db2.gz BPESIWSQGRKSGR-GFCCVEGCSA-N 2 2 328.254 1.653 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc(F)c(F)c1 ZINC000664730586 453359739 /nfs/dbraw/zinc/35/97/39/453359739.db2.gz UWAPZESKYROFSI-UHFFFAOYSA-N 2 2 342.434 1.690 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc(F)c(F)c1 ZINC000664730586 453359745 /nfs/dbraw/zinc/35/97/45/453359745.db2.gz UWAPZESKYROFSI-UHFFFAOYSA-N 2 2 342.434 1.690 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000656694895 453368894 /nfs/dbraw/zinc/36/88/94/453368894.db2.gz SYXRNZRYUDLSPZ-LJQANCHMSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000656694895 453368900 /nfs/dbraw/zinc/36/89/00/453368900.db2.gz SYXRNZRYUDLSPZ-LJQANCHMSA-N 2 2 347.503 1.716 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)CC3([NH3+])CC3)CC2)c1 ZINC000662663340 453377690 /nfs/dbraw/zinc/37/76/90/453377690.db2.gz ZNXAPERHIOLMIH-UHFFFAOYSA-N 2 2 333.432 1.229 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000662670277 453384168 /nfs/dbraw/zinc/38/41/68/453384168.db2.gz JESNHDXYPLMYRN-MRXNPFEDSA-N 2 2 345.491 1.945 20 0 EDADLP c1[nH]nnc1CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660539313 453385013 /nfs/dbraw/zinc/38/50/13/453385013.db2.gz SUSMYGFCXXZEEN-IBGZPJMESA-N 2 2 340.475 1.239 20 0 EDADLP c1[nH]nnc1CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660539313 453385020 /nfs/dbraw/zinc/38/50/20/453385020.db2.gz SUSMYGFCXXZEEN-IBGZPJMESA-N 2 2 340.475 1.239 20 0 EDADLP c1n[nH]nc1CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000660539313 453385027 /nfs/dbraw/zinc/38/50/27/453385027.db2.gz SUSMYGFCXXZEEN-IBGZPJMESA-N 2 2 340.475 1.239 20 0 EDADLP c1n[nH]nc1CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660539313 453385030 /nfs/dbraw/zinc/38/50/30/453385030.db2.gz SUSMYGFCXXZEEN-IBGZPJMESA-N 2 2 340.475 1.239 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000658779721 453386075 /nfs/dbraw/zinc/38/60/75/453386075.db2.gz VXECWAODABKEMP-CQSZACIVSA-N 2 2 329.404 1.182 20 0 EDADLP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000662682592 453401572 /nfs/dbraw/zinc/40/15/72/453401572.db2.gz KFLFPJICVSUCNW-DLBZAZTESA-N 2 2 331.460 1.564 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC[C@H]1Cc3ccccc3O1)C2 ZINC000660656239 453493122 /nfs/dbraw/zinc/49/31/22/453493122.db2.gz KBVONIICROUCHL-XLIONFOSSA-N 2 2 343.471 1.524 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC[C@H]1Cc3ccccc3O1)C2 ZINC000660656239 453493131 /nfs/dbraw/zinc/49/31/31/453493131.db2.gz KBVONIICROUCHL-XLIONFOSSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC[C@H]1Cc3ccccc3O1)C2 ZINC000660656239 453493139 /nfs/dbraw/zinc/49/31/39/453493139.db2.gz KBVONIICROUCHL-XLIONFOSSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC[C@H]1Cc3ccccc3O1)C2 ZINC000660656239 453493144 /nfs/dbraw/zinc/49/31/44/453493144.db2.gz KBVONIICROUCHL-XLIONFOSSA-N 2 2 343.471 1.524 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC[N@@H+]1CCOC ZINC000667252989 453513106 /nfs/dbraw/zinc/51/31/06/453513106.db2.gz VGEVLXSBZFSOLA-CABCVRRESA-N 2 2 337.468 1.623 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC[N@H+]1CCOC ZINC000667252989 453513110 /nfs/dbraw/zinc/51/31/10/453513110.db2.gz VGEVLXSBZFSOLA-CABCVRRESA-N 2 2 337.468 1.623 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000660693832 453518787 /nfs/dbraw/zinc/51/87/87/453518787.db2.gz MRTGLSFVBMSUIR-UHFFFAOYSA-N 2 2 347.503 1.961 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442455 453529805 /nfs/dbraw/zinc/52/98/05/453529805.db2.gz PZBANWAGMSHGGT-QWFCFKBJSA-N 2 2 343.471 1.393 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442455 453529809 /nfs/dbraw/zinc/52/98/09/453529809.db2.gz PZBANWAGMSHGGT-QWFCFKBJSA-N 2 2 343.471 1.393 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655445508 453532911 /nfs/dbraw/zinc/53/29/11/453532911.db2.gz ZYPZKPQDAKAEOR-SJLPKXTDSA-N 2 2 332.448 1.325 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832544 453558748 /nfs/dbraw/zinc/55/87/48/453558748.db2.gz ILWXNGRYJLEINI-QAPCUYQASA-N 2 2 347.459 1.408 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[C@H]2CCC[NH+](C)C2)[C@H](C)CO1 ZINC000665117021 453580623 /nfs/dbraw/zinc/58/06/23/453580623.db2.gz BJCNCWKYNXPZAM-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[C@H]2CCC[NH+](C)C2)[C@H](C)CO1 ZINC000665117021 453580626 /nfs/dbraw/zinc/58/06/26/453580626.db2.gz BJCNCWKYNXPZAM-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H](C)CO1 ZINC000665117021 453580627 /nfs/dbraw/zinc/58/06/27/453580627.db2.gz BJCNCWKYNXPZAM-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H](C)CO1 ZINC000665117021 453580629 /nfs/dbraw/zinc/58/06/29/453580629.db2.gz BJCNCWKYNXPZAM-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000662885003 453587197 /nfs/dbraw/zinc/58/71/97/453587197.db2.gz XDPZNTPZUXVTTN-LSDHHAIUSA-N 2 2 327.375 1.144 20 0 EDADLP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901326 453596198 /nfs/dbraw/zinc/59/61/98/453596198.db2.gz VLEBGZZXZYXHHG-WNHJNPCNSA-N 3 2 348.535 1.534 20 0 EDADLP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901326 453596201 /nfs/dbraw/zinc/59/62/01/453596201.db2.gz VLEBGZZXZYXHHG-WNHJNPCNSA-N 3 2 348.535 1.534 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000659093336 453627011 /nfs/dbraw/zinc/62/70/11/453627011.db2.gz NIJVPKAWPFWJNP-UHFFFAOYSA-N 2 2 329.404 1.221 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000665285113 453635790 /nfs/dbraw/zinc/63/57/90/453635790.db2.gz CXYSKQGVKKYTFZ-DOIPELPJSA-N 3 2 342.531 1.780 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000665285113 453635791 /nfs/dbraw/zinc/63/57/91/453635791.db2.gz CXYSKQGVKKYTFZ-DOIPELPJSA-N 3 2 342.531 1.780 20 0 EDADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC000665291158 453638631 /nfs/dbraw/zinc/63/86/31/453638631.db2.gz VPKKEIZHCNGMRL-XJKSGUPXSA-N 3 2 333.480 1.774 20 0 EDADLP Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000657070961 453661220 /nfs/dbraw/zinc/66/12/20/453661220.db2.gz CHQQHFZJZWHFQQ-ZDUSSCGKSA-N 2 2 347.550 1.915 20 0 EDADLP Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000657070961 453661222 /nfs/dbraw/zinc/66/12/22/453661222.db2.gz CHQQHFZJZWHFQQ-ZDUSSCGKSA-N 2 2 347.550 1.915 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000665462245 453701152 /nfs/dbraw/zinc/70/11/52/453701152.db2.gz IGZHOLKZIGJLOH-PKOBYXMFSA-N 2 2 343.471 1.966 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000665462245 453701156 /nfs/dbraw/zinc/70/11/56/453701156.db2.gz IGZHOLKZIGJLOH-PKOBYXMFSA-N 2 2 343.471 1.966 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)Cc2c[nH+]c[nH]2)CC1 ZINC000661085281 453708544 /nfs/dbraw/zinc/70/85/44/453708544.db2.gz ZZPHCXWTSSOWCZ-MRXNPFEDSA-N 2 2 341.459 1.747 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cc[nH+]1 ZINC000665554611 453745475 /nfs/dbraw/zinc/74/54/75/453745475.db2.gz OSQBHPIKYYKLTA-HNNXBMFYSA-N 2 2 346.479 1.489 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)CC2)cc[nH+]1 ZINC000665554611 453745478 /nfs/dbraw/zinc/74/54/78/453745478.db2.gz OSQBHPIKYYKLTA-HNNXBMFYSA-N 2 2 346.479 1.489 20 0 EDADLP Cc1cc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000661332652 453794084 /nfs/dbraw/zinc/79/40/84/453794084.db2.gz IHBHQLRSURYRGP-KRWDZBQOSA-N 2 2 332.448 1.751 20 0 EDADLP O[C@@H](CN[C@@H](C[NH+]1CCCCC1)c1ccccc1)C[NH+]1CCOCC1 ZINC000679941908 486678049 /nfs/dbraw/zinc/67/80/49/486678049.db2.gz YQZWRUZEYJHWHY-PMACEKPBSA-N 2 2 347.503 1.496 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH+]([C@H]4CCOC4)CC3)[nH+]c12 ZINC000676340862 486741168 /nfs/dbraw/zinc/74/11/68/486741168.db2.gz LRACDFWZQIWTFC-INIZCTEOSA-N 2 2 328.416 1.118 20 0 EDADLP O=C(C[N@@H+]1CCC12CCOCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000683526508 486745236 /nfs/dbraw/zinc/74/52/36/486745236.db2.gz YKPLKFQHYFCYMK-UHFFFAOYSA-N 2 2 349.500 1.647 20 0 EDADLP O=C(C[N@H+]1CCC12CCOCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000683526508 486745241 /nfs/dbraw/zinc/74/52/41/486745241.db2.gz YKPLKFQHYFCYMK-UHFFFAOYSA-N 2 2 349.500 1.647 20 0 EDADLP CS(=O)(=O)NC1CC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000670271435 486775975 /nfs/dbraw/zinc/77/59/75/486775975.db2.gz OPQDCUUOFUZCJX-KLAILNCOSA-N 2 2 337.489 1.321 20 0 EDADLP CS(=O)(=O)NC1CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000670271435 486775984 /nfs/dbraw/zinc/77/59/84/486775984.db2.gz OPQDCUUOFUZCJX-KLAILNCOSA-N 2 2 337.489 1.321 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000680587729 486820958 /nfs/dbraw/zinc/82/09/58/486820958.db2.gz AJTUFWLVZTXMEJ-WMZOPIPTSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000680587729 486820962 /nfs/dbraw/zinc/82/09/62/486820962.db2.gz AJTUFWLVZTXMEJ-WMZOPIPTSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)nc(C)[nH+]1 ZINC000672877957 486826643 /nfs/dbraw/zinc/82/66/43/486826643.db2.gz BNZXRTRNKHRDMG-CQSZACIVSA-N 2 2 328.420 1.534 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3OCCc4ccccc43)C2)CC1 ZINC000676730797 486857572 /nfs/dbraw/zinc/85/75/72/486857572.db2.gz URXLCNOOOJYZDE-QFBILLFUSA-N 2 2 343.471 1.585 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3OCCc4ccccc43)C2)CC1 ZINC000676730797 486857574 /nfs/dbraw/zinc/85/75/74/486857574.db2.gz URXLCNOOOJYZDE-QFBILLFUSA-N 2 2 343.471 1.585 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cn(C)cn3)CC2)CC1 ZINC000683897795 486857724 /nfs/dbraw/zinc/85/77/24/486857724.db2.gz HPXUFQUMHQNCGD-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc(-c2ccccn2)no1 ZINC000676716705 486854317 /nfs/dbraw/zinc/85/43/17/486854317.db2.gz CXPRSZRFXRIWOM-FVQBIDKESA-N 2 2 343.431 1.815 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1nc(-c2ccccn2)no1 ZINC000676716705 486854323 /nfs/dbraw/zinc/85/43/23/486854323.db2.gz CXPRSZRFXRIWOM-FVQBIDKESA-N 2 2 343.431 1.815 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000680858072 486873423 /nfs/dbraw/zinc/87/34/23/486873423.db2.gz QWQKSMJGJULJNI-KDOFPFPSSA-N 2 2 349.500 1.799 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000680858072 486873427 /nfs/dbraw/zinc/87/34/27/486873427.db2.gz QWQKSMJGJULJNI-KDOFPFPSSA-N 2 2 349.500 1.799 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3onc4c3CCCC4)CC2)CC1 ZINC000667642067 486894081 /nfs/dbraw/zinc/89/40/81/486894081.db2.gz NNWVZOVXYDUQCT-UHFFFAOYSA-N 2 2 346.475 1.842 20 0 EDADLP [NH3+]Cc1cccc(NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000667727616 486936866 /nfs/dbraw/zinc/93/68/66/486936866.db2.gz CYLUXVVBEDKOBZ-UHFFFAOYSA-N 2 2 344.419 1.318 20 0 EDADLP C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000681167026 486957101 /nfs/dbraw/zinc/95/71/01/486957101.db2.gz CCHMPCRNBVODAA-NOFHKNGASA-N 2 2 344.459 1.788 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H](C)[NH+](C)C)c2)CC1 ZINC000673236115 486961847 /nfs/dbraw/zinc/96/18/47/486961847.db2.gz RFJMHPXVFFSLED-AWEZNQCLSA-N 2 2 332.448 1.239 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673281830 486971452 /nfs/dbraw/zinc/97/14/52/486971452.db2.gz DWEMPKKMXMWZHP-QGZVFWFLSA-N 2 2 346.475 1.090 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673281830 486971459 /nfs/dbraw/zinc/97/14/59/486971459.db2.gz DWEMPKKMXMWZHP-QGZVFWFLSA-N 2 2 346.475 1.090 20 0 EDADLP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000667801144 486971743 /nfs/dbraw/zinc/97/17/43/486971743.db2.gz ZPIVFFMXUMAZQU-AWEZNQCLSA-N 2 2 338.415 1.523 20 0 EDADLP Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000681210047 486973385 /nfs/dbraw/zinc/97/33/85/486973385.db2.gz BTXWYRLRJVWFIN-GOSISDBHSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000681210047 486973387 /nfs/dbraw/zinc/97/33/87/486973387.db2.gz BTXWYRLRJVWFIN-GOSISDBHSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000681210055 486973417 /nfs/dbraw/zinc/97/34/17/486973417.db2.gz BTXWYRLRJVWFIN-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000681210055 486973421 /nfs/dbraw/zinc/97/34/21/486973421.db2.gz BTXWYRLRJVWFIN-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)c1 ZINC000684194317 486979078 /nfs/dbraw/zinc/97/90/78/486979078.db2.gz GAFNOYSKYRUANN-AWEZNQCLSA-N 2 2 328.420 1.151 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c[nH+]1 ZINC000684381801 487043866 /nfs/dbraw/zinc/04/38/66/487043866.db2.gz POOFXRRJZKHZKG-PBHICJAKSA-N 2 2 327.432 1.840 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC[N@H+]3CC=CCC3)[nH+]c12 ZINC000684394966 487048270 /nfs/dbraw/zinc/04/82/70/487048270.db2.gz RCCQWASBQDGRGW-UHFFFAOYSA-N 2 2 327.432 1.746 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC[N@@H+]3CC=CCC3)[nH+]c12 ZINC000684394966 487048272 /nfs/dbraw/zinc/04/82/72/487048272.db2.gz RCCQWASBQDGRGW-UHFFFAOYSA-N 2 2 327.432 1.746 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000684409106 487051753 /nfs/dbraw/zinc/05/17/53/487051753.db2.gz YTHSNJWEJDKKCC-NSHDSACASA-N 2 2 334.370 1.976 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000684409106 487051756 /nfs/dbraw/zinc/05/17/56/487051756.db2.gz YTHSNJWEJDKKCC-NSHDSACASA-N 2 2 334.370 1.976 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000681582611 487096985 /nfs/dbraw/zinc/09/69/85/487096985.db2.gz GTXMMPUZBCSALY-HZPDHXFCSA-N 2 2 346.475 1.595 20 0 EDADLP O=C(C[NH+]1CCC(O)(C(F)(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000677709165 487154847 /nfs/dbraw/zinc/15/48/47/487154847.db2.gz FKCHYSMHGDTMDV-UHFFFAOYSA-N 2 2 349.397 1.119 20 0 EDADLP CC(C)CN1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000681753636 487157521 /nfs/dbraw/zinc/15/75/21/487157521.db2.gz JOFCSDGFYVVYFJ-UHFFFAOYSA-N 2 2 333.476 1.927 20 0 EDADLP CC(C)CN1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000681753636 487157525 /nfs/dbraw/zinc/15/75/25/487157525.db2.gz JOFCSDGFYVVYFJ-UHFFFAOYSA-N 2 2 333.476 1.927 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677985625 487219982 /nfs/dbraw/zinc/21/99/82/487219982.db2.gz UWMPJVJLPXULCL-WMZOPIPTSA-N 2 2 335.492 1.432 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCOC[C@H]1C1CC1 ZINC000677985625 487219983 /nfs/dbraw/zinc/21/99/83/487219983.db2.gz UWMPJVJLPXULCL-WMZOPIPTSA-N 2 2 335.492 1.432 20 0 EDADLP COCc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000678080275 487243828 /nfs/dbraw/zinc/24/38/28/487243828.db2.gz WEKRVIRIMOCURD-SFHVURJKSA-N 2 2 331.460 1.747 20 0 EDADLP COCc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000678080275 487243830 /nfs/dbraw/zinc/24/38/30/487243830.db2.gz WEKRVIRIMOCURD-SFHVURJKSA-N 2 2 331.460 1.747 20 0 EDADLP COC[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000674470450 487263915 /nfs/dbraw/zinc/26/39/15/487263915.db2.gz PWJVFGUMIAOWCN-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP COC[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000674470450 487263918 /nfs/dbraw/zinc/26/39/18/487263918.db2.gz PWJVFGUMIAOWCN-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000527521774 487312726 /nfs/dbraw/zinc/31/27/26/487312726.db2.gz NSTWREUCSCIXDJ-UHFFFAOYSA-N 2 2 327.432 1.281 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000527521774 487312729 /nfs/dbraw/zinc/31/27/29/487312729.db2.gz NSTWREUCSCIXDJ-UHFFFAOYSA-N 2 2 327.432 1.281 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000685743799 487316944 /nfs/dbraw/zinc/31/69/44/487316944.db2.gz VIYIMJPDDPJYBM-SFHVURJKSA-N 2 2 342.443 1.311 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000685743799 487316947 /nfs/dbraw/zinc/31/69/47/487316947.db2.gz VIYIMJPDDPJYBM-SFHVURJKSA-N 2 2 342.443 1.311 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000678514819 487324817 /nfs/dbraw/zinc/32/48/17/487324817.db2.gz LSKVGTBCVXRZSU-AZUAARDMSA-N 2 2 345.487 1.860 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000678514819 487324820 /nfs/dbraw/zinc/32/48/20/487324820.db2.gz LSKVGTBCVXRZSU-AZUAARDMSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000679062076 487389876 /nfs/dbraw/zinc/38/98/76/487389876.db2.gz BGYVDUWIAOADOO-CJNGLKHVSA-N 2 2 333.480 1.766 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC000675235722 487392026 /nfs/dbraw/zinc/39/20/26/487392026.db2.gz UCZLCOQOZKTWGR-HUUCEWRRSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC000675235722 487392028 /nfs/dbraw/zinc/39/20/28/487392028.db2.gz UCZLCOQOZKTWGR-HUUCEWRRSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000675235722 487392029 /nfs/dbraw/zinc/39/20/29/487392029.db2.gz UCZLCOQOZKTWGR-HUUCEWRRSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000675235722 487392031 /nfs/dbraw/zinc/39/20/31/487392031.db2.gz UCZLCOQOZKTWGR-HUUCEWRRSA-N 2 2 334.464 1.782 20 0 EDADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000679338544 487416160 /nfs/dbraw/zinc/41/61/60/487416160.db2.gz QNLNPEMEOICTKV-OAHLLOKOSA-N 3 2 328.464 1.976 20 0 EDADLP COc1ccc2c(c1)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)CCCO2 ZINC000675782043 487443781 /nfs/dbraw/zinc/44/37/81/487443781.db2.gz LBRZJBNOZSOFJD-INIZCTEOSA-N 2 2 333.432 1.273 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000675794645 487444712 /nfs/dbraw/zinc/44/47/12/487444712.db2.gz FBQWZSNZKUIJNJ-GOSISDBHSA-N 4 2 345.535 1.914 20 0 EDADLP O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000683143449 487454410 /nfs/dbraw/zinc/45/44/10/487454410.db2.gz DJHNCXSAPBPBIW-WMZOPIPTSA-N 2 2 333.432 1.081 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000676025726 487466454 /nfs/dbraw/zinc/46/64/54/487466454.db2.gz BUCABOVQAYIRNF-HNNXBMFYSA-N 2 2 328.372 1.243 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000676025726 487466456 /nfs/dbraw/zinc/46/64/56/487466456.db2.gz BUCABOVQAYIRNF-HNNXBMFYSA-N 2 2 328.372 1.243 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000324595701 485577623 /nfs/dbraw/zinc/57/76/23/485577623.db2.gz FTBFFCFAUWWQFO-AEFFLSMTSA-N 2 2 331.460 1.646 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000324595701 485577627 /nfs/dbraw/zinc/57/76/27/485577627.db2.gz FTBFFCFAUWWQFO-AEFFLSMTSA-N 2 2 331.460 1.646 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670997707 485621722 /nfs/dbraw/zinc/62/17/22/485621722.db2.gz AJSCZLAGHXTSSU-HOTGVXAUSA-N 2 2 347.463 1.037 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000226052173 485634421 /nfs/dbraw/zinc/63/44/21/485634421.db2.gz ARVIXKOUGNLUIG-ZIAGYGMSSA-N 2 2 343.265 1.873 20 0 EDADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000226052173 485634428 /nfs/dbraw/zinc/63/44/28/485634428.db2.gz ARVIXKOUGNLUIG-ZIAGYGMSSA-N 2 2 343.265 1.873 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000669590786 485647550 /nfs/dbraw/zinc/64/75/50/485647550.db2.gz ZWYOFWTUSFMOQX-MRXNPFEDSA-N 2 2 326.400 1.776 20 0 EDADLP Cn1cnc2cc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)ccc21 ZINC000372824122 485771011 /nfs/dbraw/zinc/77/10/11/485771011.db2.gz QSONWIOKBMWTCM-HNNXBMFYSA-N 2 2 341.459 1.472 20 0 EDADLP Cn1cnc2cc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)ccc21 ZINC000372824122 485771017 /nfs/dbraw/zinc/77/10/17/485771017.db2.gz QSONWIOKBMWTCM-HNNXBMFYSA-N 2 2 341.459 1.472 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000366265921 485883246 /nfs/dbraw/zinc/88/32/46/485883246.db2.gz KRYXLIXERSOVDN-GOSISDBHSA-N 2 2 329.444 1.799 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(CO)cc1 ZINC000668687119 486046076 /nfs/dbraw/zinc/04/60/76/486046076.db2.gz HLKYDWOGAZEZQQ-UHFFFAOYSA-N 2 2 349.475 1.042 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(CO)cc1 ZINC000668687119 486046080 /nfs/dbraw/zinc/04/60/80/486046080.db2.gz HLKYDWOGAZEZQQ-UHFFFAOYSA-N 2 2 349.475 1.042 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000669399190 486061409 /nfs/dbraw/zinc/06/14/09/486061409.db2.gz IRKBFLSJCYVOTH-MSOLQXFVSA-N 2 2 346.475 1.420 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2nnc3ccccn32)CC1 ZINC000669690485 486077261 /nfs/dbraw/zinc/07/72/61/486077261.db2.gz LXKOBRLUGLEIHD-UHFFFAOYSA-N 2 2 330.480 1.577 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2nnc3ccccn32)CC1 ZINC000669690485 486077268 /nfs/dbraw/zinc/07/72/68/486077268.db2.gz LXKOBRLUGLEIHD-UHFFFAOYSA-N 2 2 330.480 1.577 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2N2CCCC2)[C@H](C[NH3+])C1 ZINC000669409957 486102605 /nfs/dbraw/zinc/10/26/05/486102605.db2.gz AVARXYMAYWYLIB-MRXNPFEDSA-N 2 2 331.464 1.071 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccccc2N2CCCC2)[C@H](C[NH3+])C1 ZINC000669409957 486102610 /nfs/dbraw/zinc/10/26/10/486102610.db2.gz AVARXYMAYWYLIB-MRXNPFEDSA-N 2 2 331.464 1.071 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)C1 ZINC000668739058 486107944 /nfs/dbraw/zinc/10/79/44/486107944.db2.gz IUFPIXPOZOMVOO-AZUAARDMSA-N 2 2 346.471 1.885 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)C1 ZINC000668739058 486107951 /nfs/dbraw/zinc/10/79/51/486107951.db2.gz IUFPIXPOZOMVOO-AZUAARDMSA-N 2 2 346.471 1.885 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000629173447 486112803 /nfs/dbraw/zinc/11/28/03/486112803.db2.gz FRRUNKMFVFIZOD-CABCVRRESA-N 2 2 325.840 1.126 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000629173447 486112809 /nfs/dbraw/zinc/11/28/09/486112809.db2.gz FRRUNKMFVFIZOD-CABCVRRESA-N 2 2 325.840 1.126 20 0 EDADLP Cc1cn2ccc(NC(=O)N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)cc2[nH+]1 ZINC000668167280 486184668 /nfs/dbraw/zinc/18/46/68/486184668.db2.gz YUOOGVVQYHYXQY-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2ccc(NC(=O)N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)cc2[nH+]1 ZINC000668167280 486184674 /nfs/dbraw/zinc/18/46/74/486184674.db2.gz YUOOGVVQYHYXQY-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000326707250 486286559 /nfs/dbraw/zinc/28/65/59/486286559.db2.gz OLJQFCYZYMFMDZ-MSOLQXFVSA-N 2 2 329.444 1.024 20 0 EDADLP CCCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H]1CC[NH2+]C1 ZINC000669511757 486294603 /nfs/dbraw/zinc/29/46/03/486294603.db2.gz DZRZSDAIMWXEIA-INIZCTEOSA-N 2 2 329.448 1.969 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[NH2+]C[C@](C)(F)C3)[nH+]c12 ZINC000669511766 486294944 /nfs/dbraw/zinc/29/49/44/486294944.db2.gz FQCIOMHTEXQPHV-KRWDZBQOSA-N 2 2 333.411 1.528 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000167421281 486463090 /nfs/dbraw/zinc/46/30/90/486463090.db2.gz GFIJXZGUSWGXPX-UHFFFAOYSA-N 2 2 329.400 1.705 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](OC(F)F)C3)C2)CC1 ZINC000670126561 486637200 /nfs/dbraw/zinc/63/72/00/486637200.db2.gz NJACWLGUADJSSG-JSGCOSHPSA-N 2 2 346.422 1.178 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](OC(F)F)C3)C2)CC1 ZINC000670126561 486637202 /nfs/dbraw/zinc/63/72/02/486637202.db2.gz NJACWLGUADJSSG-JSGCOSHPSA-N 2 2 346.422 1.178 20 0 EDADLP C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092042619 491201539 /nfs/dbraw/zinc/20/15/39/491201539.db2.gz PUNAGOXYCYTYIM-LPHOPBHVSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092042619 491201541 /nfs/dbraw/zinc/20/15/41/491201541.db2.gz PUNAGOXYCYTYIM-LPHOPBHVSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292247440 491020787 /nfs/dbraw/zinc/02/07/87/491020787.db2.gz XIIWLCYXZZBDGZ-UGSOOPFHSA-N 2 2 348.422 1.890 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292247440 491020788 /nfs/dbraw/zinc/02/07/88/491020788.db2.gz XIIWLCYXZZBDGZ-UGSOOPFHSA-N 2 2 348.422 1.890 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292247440 491020789 /nfs/dbraw/zinc/02/07/89/491020789.db2.gz XIIWLCYXZZBDGZ-UGSOOPFHSA-N 2 2 348.422 1.890 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292247440 491020790 /nfs/dbraw/zinc/02/07/90/491020790.db2.gz XIIWLCYXZZBDGZ-UGSOOPFHSA-N 2 2 348.422 1.890 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000181065370 534022215 /nfs/dbraw/zinc/02/22/15/534022215.db2.gz QVEPNKKYGFIEHS-QGZVFWFLSA-N 2 2 348.491 1.481 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000181065370 534022220 /nfs/dbraw/zinc/02/22/20/534022220.db2.gz QVEPNKKYGFIEHS-QGZVFWFLSA-N 2 2 348.491 1.481 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000174754666 527730086 /nfs/dbraw/zinc/73/00/86/527730086.db2.gz LBWWLKMMDVJMRG-QGZVFWFLSA-N 2 2 333.432 1.178 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000174754666 527730090 /nfs/dbraw/zinc/73/00/90/527730090.db2.gz LBWWLKMMDVJMRG-QGZVFWFLSA-N 2 2 333.432 1.178 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)NC(=O)NC3CC3)C2)CC1 ZINC000154739787 528251436 /nfs/dbraw/zinc/25/14/36/528251436.db2.gz GTWFNVAYMGMCKT-HNNXBMFYSA-N 2 2 336.480 1.419 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)CC1 ZINC000154739787 528251441 /nfs/dbraw/zinc/25/14/41/528251441.db2.gz GTWFNVAYMGMCKT-HNNXBMFYSA-N 2 2 336.480 1.419 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C1 ZINC000332585637 535124906 /nfs/dbraw/zinc/12/49/06/535124906.db2.gz JSVAKHXQQFODNB-OAHLLOKOSA-N 2 2 333.432 1.578 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C1 ZINC000332585637 535124910 /nfs/dbraw/zinc/12/49/10/535124910.db2.gz JSVAKHXQQFODNB-OAHLLOKOSA-N 2 2 333.432 1.578 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000262303445 535438434 /nfs/dbraw/zinc/43/84/34/535438434.db2.gz XUZHTQIWNOWHMK-VQIMIIECSA-N 2 2 346.475 1.258 20 0 EDADLP CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346349015 535497256 /nfs/dbraw/zinc/49/72/56/535497256.db2.gz IVOWSGYNRNPUHA-INIZCTEOSA-N 2 2 349.460 1.089 20 0 EDADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346349015 535497260 /nfs/dbraw/zinc/49/72/60/535497260.db2.gz IVOWSGYNRNPUHA-INIZCTEOSA-N 2 2 349.460 1.089 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)CC1 ZINC000353201578 535641037 /nfs/dbraw/zinc/64/10/37/535641037.db2.gz MWQKKDSCQAKCHW-RYUDHWBXSA-N 2 2 326.391 1.563 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246591270 535644960 /nfs/dbraw/zinc/64/49/60/535644960.db2.gz IYCCTTRPQDVDJU-BBWFWOEESA-N 2 2 325.497 1.724 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246591270 535644965 /nfs/dbraw/zinc/64/49/65/535644965.db2.gz IYCCTTRPQDVDJU-BBWFWOEESA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000236952919 535652023 /nfs/dbraw/zinc/65/20/23/535652023.db2.gz ZGBWHNPDTHXZLR-RDTXWAMCSA-N 2 2 349.475 1.721 20 0 EDADLP CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000352630760 535725496 /nfs/dbraw/zinc/72/54/96/535725496.db2.gz QRGZOUBYHYXWSU-AWEZNQCLSA-N 2 2 325.478 1.463 20 0 EDADLP CC[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000352630760 535725502 /nfs/dbraw/zinc/72/55/02/535725502.db2.gz QRGZOUBYHYXWSU-AWEZNQCLSA-N 2 2 325.478 1.463 20 0 EDADLP CC[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1[nH]cc[nH+]1 ZINC000347973135 535833790 /nfs/dbraw/zinc/83/37/90/535833790.db2.gz UATKYKBLVVYWRU-HOTGVXAUSA-N 2 2 328.416 1.878 20 0 EDADLP CC[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1[nH]cc[nH+]1 ZINC000347973135 535833792 /nfs/dbraw/zinc/83/37/92/535833792.db2.gz UATKYKBLVVYWRU-HOTGVXAUSA-N 2 2 328.416 1.878 20 0 EDADLP CN(C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1nccs1 ZINC000123538616 535987321 /nfs/dbraw/zinc/98/73/21/535987321.db2.gz CIRCBITYIRHTMQ-CYBMUJFWSA-N 2 2 333.461 1.794 20 0 EDADLP CN(C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1nccs1 ZINC000123538616 535987326 /nfs/dbraw/zinc/98/73/26/535987326.db2.gz CIRCBITYIRHTMQ-CYBMUJFWSA-N 2 2 333.461 1.794 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353297519 536479390 /nfs/dbraw/zinc/47/93/90/536479390.db2.gz SSYHQIDIJAKVQM-UHFFFAOYSA-N 2 2 348.516 1.561 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCC[NH+]2CCSCC2)C1 ZINC000353297519 536479391 /nfs/dbraw/zinc/47/93/91/536479391.db2.gz SSYHQIDIJAKVQM-UHFFFAOYSA-N 2 2 348.516 1.561 20 0 EDADLP COc1ccccc1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050802878 537018172 /nfs/dbraw/zinc/01/81/72/537018172.db2.gz KORUEZSRHYEYKD-UHFFFAOYSA-N 2 2 345.487 1.913 20 0 EDADLP COc1ccc2ccccc2c1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261866466 537041892 /nfs/dbraw/zinc/04/18/92/537041892.db2.gz KWYAJQCQWFGHKO-UHFFFAOYSA-N 2 2 327.428 1.712 20 0 EDADLP COc1ccc2ccccc2c1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261866466 537041897 /nfs/dbraw/zinc/04/18/97/537041897.db2.gz KWYAJQCQWFGHKO-UHFFFAOYSA-N 2 2 327.428 1.712 20 0 EDADLP C[C@H]1Cc2ccccc2C[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000742157481 579437017 /nfs/dbraw/zinc/43/70/17/579437017.db2.gz ASOGZSXPOUKJFS-AWEZNQCLSA-N 2 2 342.443 1.407 20 0 EDADLP C[C@H]1Cc2ccccc2C[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000742157481 579437018 /nfs/dbraw/zinc/43/70/18/579437018.db2.gz ASOGZSXPOUKJFS-AWEZNQCLSA-N 2 2 342.443 1.407 20 0 EDADLP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000743847101 579492282 /nfs/dbraw/zinc/49/22/82/579492282.db2.gz YAJQSEDWLLBOMU-ICSRJNTNSA-N 2 2 347.503 1.448 20 0 EDADLP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000743847101 579492284 /nfs/dbraw/zinc/49/22/84/579492284.db2.gz YAJQSEDWLLBOMU-ICSRJNTNSA-N 2 2 347.503 1.448 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000743865543 579492887 /nfs/dbraw/zinc/49/28/87/579492887.db2.gz DEIHKNQGSNTUOZ-CVEARBPZSA-N 2 2 341.496 1.774 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000743865543 579492889 /nfs/dbraw/zinc/49/28/89/579492889.db2.gz DEIHKNQGSNTUOZ-CVEARBPZSA-N 2 2 341.496 1.774 20 0 EDADLP C[NH+](C)CCN1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000726705322 578355130 /nfs/dbraw/zinc/35/51/30/578355130.db2.gz HGAGZKNBGIMLBG-UHFFFAOYSA-N 2 2 348.495 1.325 20 0 EDADLP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+]1CCCC1 ZINC000729606701 578584432 /nfs/dbraw/zinc/58/44/32/578584432.db2.gz UEXSLNRBYSMHBE-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[C@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+]1CCCC1 ZINC000729606701 578584433 /nfs/dbraw/zinc/58/44/33/578584433.db2.gz UEXSLNRBYSMHBE-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000729620040 578585291 /nfs/dbraw/zinc/58/52/91/578585291.db2.gz OZDFNSSJDQUFQN-HUUCEWRRSA-N 2 2 333.436 1.162 20 0 EDADLP C[NH+](C)CCNC(=S)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000730599174 578653144 /nfs/dbraw/zinc/65/31/44/578653144.db2.gz CCXDOASSEIDBRQ-INIZCTEOSA-N 2 2 336.505 1.086 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000731032216 578666445 /nfs/dbraw/zinc/66/64/45/578666445.db2.gz FFRIRHAVWZEDAL-QGZVFWFLSA-N 2 2 348.491 1.386 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)NCCc3ccccn3)C2)CC1 ZINC000732721523 578725758 /nfs/dbraw/zinc/72/57/58/578725758.db2.gz SYPYAPDKADSRPT-INIZCTEOSA-N 2 2 347.532 1.257 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)NCCc3ccccn3)C2)CC1 ZINC000732721523 578725759 /nfs/dbraw/zinc/72/57/59/578725759.db2.gz SYPYAPDKADSRPT-INIZCTEOSA-N 2 2 347.532 1.257 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)CCO4)C2)CC1 ZINC000732780345 578727910 /nfs/dbraw/zinc/72/79/10/578727910.db2.gz JPYNQUFDNRJGEO-MRXNPFEDSA-N 2 2 329.444 1.520 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)CCO4)C2)CC1 ZINC000732780345 578727911 /nfs/dbraw/zinc/72/79/11/578727911.db2.gz JPYNQUFDNRJGEO-MRXNPFEDSA-N 2 2 329.444 1.520 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732779467 578727961 /nfs/dbraw/zinc/72/79/61/578727961.db2.gz SSFZUDWFUCYVDZ-INIZCTEOSA-N 3 2 333.480 1.256 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732779467 578727962 /nfs/dbraw/zinc/72/79/62/578727962.db2.gz SSFZUDWFUCYVDZ-INIZCTEOSA-N 3 2 333.480 1.256 20 0 EDADLP CC1=C(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(=O)OC1(C)C ZINC000733164434 578745479 /nfs/dbraw/zinc/74/54/79/578745479.db2.gz SQSZERQOCNIKRG-UHFFFAOYSA-N 2 2 337.464 1.123 20 0 EDADLP CC1=C(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(=O)OC1(C)C ZINC000733164434 578745480 /nfs/dbraw/zinc/74/54/80/578745480.db2.gz SQSZERQOCNIKRG-UHFFFAOYSA-N 2 2 337.464 1.123 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000736230424 578965642 /nfs/dbraw/zinc/96/56/42/578965642.db2.gz ULXKILYXDNMVGQ-DOMZBBRYSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC000736230424 578965643 /nfs/dbraw/zinc/96/56/43/578965643.db2.gz ULXKILYXDNMVGQ-DOMZBBRYSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC000736230424 578965644 /nfs/dbraw/zinc/96/56/44/578965644.db2.gz ULXKILYXDNMVGQ-DOMZBBRYSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC000736230424 578965645 /nfs/dbraw/zinc/96/56/45/578965645.db2.gz ULXKILYXDNMVGQ-DOMZBBRYSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000736230425 578965711 /nfs/dbraw/zinc/96/57/11/578965711.db2.gz ULXKILYXDNMVGQ-IUODEOHRSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC000736230425 578965712 /nfs/dbraw/zinc/96/57/12/578965712.db2.gz ULXKILYXDNMVGQ-IUODEOHRSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC000736230425 578965713 /nfs/dbraw/zinc/96/57/13/578965713.db2.gz ULXKILYXDNMVGQ-IUODEOHRSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC000736230425 578965714 /nfs/dbraw/zinc/96/57/14/578965714.db2.gz ULXKILYXDNMVGQ-IUODEOHRSA-N 2 2 343.435 1.220 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H]4C[C@H]43)CC2)cc1 ZINC000761098390 580048026 /nfs/dbraw/zinc/04/80/26/580048026.db2.gz UYVUNOJZZLMYFW-PKOBYXMFSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H]4C[C@H]43)CC2)cc1 ZINC000761098390 580048027 /nfs/dbraw/zinc/04/80/27/580048027.db2.gz UYVUNOJZZLMYFW-PKOBYXMFSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H]4C[C@H]43)CC2)cc1 ZINC000761098390 580048028 /nfs/dbraw/zinc/04/80/28/580048028.db2.gz UYVUNOJZZLMYFW-PKOBYXMFSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@H]4C[C@H]43)CC2)cc1 ZINC000761098390 580048029 /nfs/dbraw/zinc/04/80/29/580048029.db2.gz UYVUNOJZZLMYFW-PKOBYXMFSA-N 2 2 343.471 1.824 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000745791876 579562814 /nfs/dbraw/zinc/56/28/14/579562814.db2.gz NGNXLBGTRWGSAB-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000745791876 579562815 /nfs/dbraw/zinc/56/28/15/579562815.db2.gz NGNXLBGTRWGSAB-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3csc4cncn43)C2)CC1 ZINC000746255044 579582351 /nfs/dbraw/zinc/58/23/51/579582351.db2.gz WOCGPYNYNDOYTD-LBPRGKRZSA-N 2 2 333.461 1.294 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3csc4cncn43)C2)CC1 ZINC000746255044 579582352 /nfs/dbraw/zinc/58/23/52/579582352.db2.gz WOCGPYNYNDOYTD-LBPRGKRZSA-N 2 2 333.461 1.294 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000746725706 579608104 /nfs/dbraw/zinc/60/81/04/579608104.db2.gz JKTJLNIPNGRNNJ-CYBMUJFWSA-N 2 2 345.403 1.435 20 0 EDADLP O=C1N(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC12CCOCC2 ZINC000777536303 580443857 /nfs/dbraw/zinc/44/38/57/580443857.db2.gz BORYGFXWRRJFSR-QGZVFWFLSA-N 2 2 335.492 1.923 20 0 EDADLP O=C1N(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCC12CCOCC2 ZINC000777536303 580443858 /nfs/dbraw/zinc/44/38/58/580443858.db2.gz BORYGFXWRRJFSR-QGZVFWFLSA-N 2 2 335.492 1.923 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(O)cc1 ZINC000749535648 579729846 /nfs/dbraw/zinc/72/98/46/579729846.db2.gz SQAAYMAYJKJGSA-DJIMGWMZSA-N 2 2 333.432 1.514 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(O)cc1 ZINC000749535648 579729848 /nfs/dbraw/zinc/72/98/48/579729848.db2.gz SQAAYMAYJKJGSA-DJIMGWMZSA-N 2 2 333.432 1.514 20 0 EDADLP O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000750039580 579749496 /nfs/dbraw/zinc/74/94/96/579749496.db2.gz QMOFGBZVNUSULQ-HNNXBMFYSA-N 2 2 326.404 1.257 20 0 EDADLP O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000750039580 579749498 /nfs/dbraw/zinc/74/94/98/579749498.db2.gz QMOFGBZVNUSULQ-HNNXBMFYSA-N 2 2 326.404 1.257 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000750042921 579749522 /nfs/dbraw/zinc/74/95/22/579749522.db2.gz AQDLELALNPYLCI-IAGOWNOFSA-N 2 2 327.432 1.298 20 0 EDADLP CN(C)c1cc[nH+]c(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000777843013 580451693 /nfs/dbraw/zinc/45/16/93/580451693.db2.gz PCFZTNVTAQVXPE-LJQANCHMSA-N 2 2 341.459 1.616 20 0 EDADLP CN(C)c1cc[nH+]c(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000777843013 580451694 /nfs/dbraw/zinc/45/16/94/580451694.db2.gz PCFZTNVTAQVXPE-LJQANCHMSA-N 2 2 341.459 1.616 20 0 EDADLP Cc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c(N(C)C)[nH+]1 ZINC000750405257 579762153 /nfs/dbraw/zinc/76/21/53/579762153.db2.gz FOWZEHLBTHWHTM-HNNXBMFYSA-N 2 2 347.463 1.642 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCCCC1 ZINC000753078396 579871970 /nfs/dbraw/zinc/87/19/70/579871970.db2.gz KSTBWKGQMBKZTO-JKSUJKDBSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@@H](CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000753149795 579873633 /nfs/dbraw/zinc/87/36/33/579873633.db2.gz WSIFHPAZDGGESD-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000753149795 579873634 /nfs/dbraw/zinc/87/36/34/579873634.db2.gz WSIFHPAZDGGESD-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCNc3ccccc3)C2)CC1 ZINC000754920143 579916033 /nfs/dbraw/zinc/91/60/33/579916033.db2.gz LZRUSLFEQPXWJI-QGZVFWFLSA-N 2 2 345.491 1.566 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCNc3ccccc3)C2)CC1 ZINC000754920143 579916034 /nfs/dbraw/zinc/91/60/34/579916034.db2.gz LZRUSLFEQPXWJI-QGZVFWFLSA-N 2 2 345.491 1.566 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756123442 579943932 /nfs/dbraw/zinc/94/39/32/579943932.db2.gz WSUULNONUXBGOW-CMPLNLGQSA-N 2 2 343.415 1.088 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756123442 579943933 /nfs/dbraw/zinc/94/39/33/579943933.db2.gz WSUULNONUXBGOW-CMPLNLGQSA-N 2 2 343.415 1.088 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000762567361 580077715 /nfs/dbraw/zinc/07/77/15/580077715.db2.gz DZXRBHOQDGRTIP-KRWDZBQOSA-N 2 2 336.436 1.585 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000762567361 580077716 /nfs/dbraw/zinc/07/77/16/580077716.db2.gz DZXRBHOQDGRTIP-KRWDZBQOSA-N 2 2 336.436 1.585 20 0 EDADLP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)CN1 ZINC000764463880 580120817 /nfs/dbraw/zinc/12/08/17/580120817.db2.gz HYSYJXDHNHSGDB-HOTGVXAUSA-N 2 2 325.416 1.758 20 0 EDADLP O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)CN1 ZINC000764463880 580120818 /nfs/dbraw/zinc/12/08/18/580120818.db2.gz HYSYJXDHNHSGDB-HOTGVXAUSA-N 2 2 325.416 1.758 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C[C@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000765702663 580149303 /nfs/dbraw/zinc/14/93/03/580149303.db2.gz DTLVICQYHXVZHA-KZNAEPCWSA-N 2 2 328.460 1.771 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C[C@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000765702663 580149304 /nfs/dbraw/zinc/14/93/04/580149304.db2.gz DTLVICQYHXVZHA-KZNAEPCWSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C[C@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000765702663 580149305 /nfs/dbraw/zinc/14/93/05/580149305.db2.gz DTLVICQYHXVZHA-KZNAEPCWSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C[C@H](c4cccnc4)CC3=O)CC[C@H]21 ZINC000765702663 580149306 /nfs/dbraw/zinc/14/93/06/580149306.db2.gz DTLVICQYHXVZHA-KZNAEPCWSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=S)NCC[NH+]2CCOCC2)CC1 ZINC000766712136 580172439 /nfs/dbraw/zinc/17/24/39/580172439.db2.gz ITPAPMURLMVOKI-UHFFFAOYSA-N 2 2 342.553 1.247 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000767461506 580190458 /nfs/dbraw/zinc/19/04/58/580190458.db2.gz KYMWFVYHCJVZHI-IRXDYDNUSA-N 2 2 335.423 1.273 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000767461506 580190459 /nfs/dbraw/zinc/19/04/59/580190459.db2.gz KYMWFVYHCJVZHI-IRXDYDNUSA-N 2 2 335.423 1.273 20 0 EDADLP O=C(OCC[NH+]1CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000770384950 580259336 /nfs/dbraw/zinc/25/93/36/580259336.db2.gz OJSTVWUMFSSHKU-GOSISDBHSA-N 2 2 332.444 1.917 20 0 EDADLP O=C(OCC[NH+]1CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000770384950 580259337 /nfs/dbraw/zinc/25/93/37/580259337.db2.gz OJSTVWUMFSSHKU-GOSISDBHSA-N 2 2 332.444 1.917 20 0 EDADLP C[C@H]1C[NH+](CCCCNC(=O)c2cccc3[nH+]ccn32)C[C@H](C)O1 ZINC000770426252 580260140 /nfs/dbraw/zinc/26/01/40/580260140.db2.gz NJYKZXGACOYEHB-GJZGRUSLSA-N 2 2 330.432 1.954 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)C1 ZINC000773320894 580333960 /nfs/dbraw/zinc/33/39/60/580333960.db2.gz JMIYCYVNFGWZIG-SJKOYZFVSA-N 2 2 333.436 1.524 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)C1 ZINC000773320894 580333961 /nfs/dbraw/zinc/33/39/61/580333961.db2.gz JMIYCYVNFGWZIG-SJKOYZFVSA-N 2 2 333.436 1.524 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCOCC[C@@H]2C)CC1 ZINC000775568369 580393809 /nfs/dbraw/zinc/39/38/09/580393809.db2.gz STFOPKGZFYHHOK-SFHVURJKSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCOCC[C@@H]2C)CC1 ZINC000775568369 580393810 /nfs/dbraw/zinc/39/38/10/580393810.db2.gz STFOPKGZFYHHOK-SFHVURJKSA-N 2 2 345.487 1.750 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(=O)N3CCOCC3)CC2)cc1 ZINC000776311872 580414721 /nfs/dbraw/zinc/41/47/21/580414721.db2.gz GUHZWKAZMIPWFA-UHFFFAOYSA-N 2 2 346.475 1.170 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccccc1CO ZINC000779779715 580496975 /nfs/dbraw/zinc/49/69/75/580496975.db2.gz HZLAWJSTMVNZHT-UHFFFAOYSA-N 2 2 333.476 1.206 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccccc1CO ZINC000779779715 580496976 /nfs/dbraw/zinc/49/69/76/580496976.db2.gz HZLAWJSTMVNZHT-UHFFFAOYSA-N 2 2 333.476 1.206 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000784978829 580633340 /nfs/dbraw/zinc/63/33/40/580633340.db2.gz CDAJFDCTFKNUMC-IUODEOHRSA-N 2 2 347.463 1.193 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000784978829 580633341 /nfs/dbraw/zinc/63/33/41/580633341.db2.gz CDAJFDCTFKNUMC-IUODEOHRSA-N 2 2 347.463 1.193 20 0 EDADLP O=C(OCCn1cc[nH+]c1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000785709886 580650923 /nfs/dbraw/zinc/65/09/23/580650923.db2.gz UOUFJTLAHDIUKS-UHFFFAOYSA-N 2 2 343.427 1.944 20 0 EDADLP OCCNc1nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]c2ccccc21 ZINC000785799092 580653755 /nfs/dbraw/zinc/65/37/55/580653755.db2.gz FSXSSFQPSXPUBB-UONOGXRCSA-N 2 2 343.431 1.309 20 0 EDADLP OCCNc1nc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]c2ccccc21 ZINC000785799092 580653756 /nfs/dbraw/zinc/65/37/56/580653756.db2.gz FSXSSFQPSXPUBB-UONOGXRCSA-N 2 2 343.431 1.309 20 0 EDADLP CC(C)N1CC[NH+](CCCOC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000792203277 580813341 /nfs/dbraw/zinc/81/33/41/580813341.db2.gz JANZKUXNISYMDW-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP CN(C(=O)NCc1cccnc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793306827 580841512 /nfs/dbraw/zinc/84/15/12/580841512.db2.gz HVMYUSPEKGPIGW-INIZCTEOSA-N 2 2 349.454 1.531 20 0 EDADLP CN(C(=O)NCc1cccnc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793306827 580841513 /nfs/dbraw/zinc/84/15/13/580841513.db2.gz HVMYUSPEKGPIGW-INIZCTEOSA-N 2 2 349.454 1.531 20 0 EDADLP COc1ccccc1O[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000796565857 580956615 /nfs/dbraw/zinc/95/66/15/580956615.db2.gz LNQZKWXQMFABGC-SJORKVTESA-N 2 2 334.460 1.995 20 0 EDADLP COc1ccccc1O[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000796565857 580956616 /nfs/dbraw/zinc/95/66/16/580956616.db2.gz LNQZKWXQMFABGC-SJORKVTESA-N 2 2 334.460 1.995 20 0 EDADLP O=C1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C(=O)N1 ZINC000799125582 581017550 /nfs/dbraw/zinc/01/75/50/581017550.db2.gz PVNOMWGSGCOTGD-XLIONFOSSA-N 2 2 341.455 1.780 20 0 EDADLP O=C1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C(=O)N1 ZINC000799125582 581017551 /nfs/dbraw/zinc/01/75/51/581017551.db2.gz PVNOMWGSGCOTGD-XLIONFOSSA-N 2 2 341.455 1.780 20 0 EDADLP O=C1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C(=O)N1 ZINC000799125582 581017552 /nfs/dbraw/zinc/01/75/52/581017552.db2.gz PVNOMWGSGCOTGD-XLIONFOSSA-N 2 2 341.455 1.780 20 0 EDADLP O=C1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C(=O)N1 ZINC000799125582 581017553 /nfs/dbraw/zinc/01/75/53/581017553.db2.gz PVNOMWGSGCOTGD-XLIONFOSSA-N 2 2 341.455 1.780 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000800858904 581060050 /nfs/dbraw/zinc/06/00/50/581060050.db2.gz MUTQZDODBIBRCW-CABCVRRESA-N 2 2 342.447 1.307 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000800858904 581060051 /nfs/dbraw/zinc/06/00/51/581060051.db2.gz MUTQZDODBIBRCW-CABCVRRESA-N 2 2 342.447 1.307 20 0 EDADLP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@H]2CCn3cc[nH+]c32)c1 ZINC000891928219 590692824 /nfs/dbraw/zinc/69/28/24/590692824.db2.gz WKZXXALMRLSBDH-JKSUJKDBSA-N 2 2 341.415 1.693 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]CCN2CCC2)CC1 ZINC000893178426 590697657 /nfs/dbraw/zinc/69/76/57/590697657.db2.gz BTRQFTYKCBXWND-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893319521 590777142 /nfs/dbraw/zinc/77/71/42/590777142.db2.gz HGTZHFNXPITQQZ-CYBMUJFWSA-N 2 2 342.484 1.090 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892073013 590784259 /nfs/dbraw/zinc/78/42/59/590784259.db2.gz XTBYOURWGCZJJT-QGZVFWFLSA-N 2 2 325.416 1.843 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNc1nc(N)[nH+]c(C2CC2)n1 ZINC000892129411 590814310 /nfs/dbraw/zinc/81/43/10/590814310.db2.gz VSRWZGIQXYPHGH-UHFFFAOYSA-N 2 2 328.420 1.884 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNc1nc(N)nc(C2CC2)[nH+]1 ZINC000892129411 590814314 /nfs/dbraw/zinc/81/43/14/590814314.db2.gz VSRWZGIQXYPHGH-UHFFFAOYSA-N 2 2 328.420 1.884 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)cn2cc[nH+]c12 ZINC000891007175 590908987 /nfs/dbraw/zinc/90/89/87/590908987.db2.gz ZCNWRHQUIMYCIO-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)cn2cc[nH+]c12 ZINC000891007175 590908990 /nfs/dbraw/zinc/90/89/90/590908990.db2.gz ZCNWRHQUIMYCIO-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893506018 590913220 /nfs/dbraw/zinc/91/32/20/590913220.db2.gz RKPAARUDHAFXCF-KBPBESRZSA-N 2 2 329.485 1.725 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892337014 590965358 /nfs/dbraw/zinc/96/53/58/590965358.db2.gz QWIXOSMBFJJKDS-OAHLLOKOSA-N 2 2 346.475 1.194 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCCC3(CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000893667679 591040621 /nfs/dbraw/zinc/04/06/21/591040621.db2.gz CQZKZERUSSWJJV-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCCC3(CC[NH+](C)CC3)C2)[nH+]cn1 ZINC000893667679 591040626 /nfs/dbraw/zinc/04/06/26/591040626.db2.gz CQZKZERUSSWJJV-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c[nH+]1 ZINC000891348067 591053521 /nfs/dbraw/zinc/05/35/21/591053521.db2.gz NNRMPFRSEFVWKY-KRWDZBQOSA-N 2 2 339.443 1.661 20 0 EDADLP Oc1ccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cc1F ZINC000892538272 591065267 /nfs/dbraw/zinc/06/52/67/591065267.db2.gz LDPKFBJPSLFBGO-UHFFFAOYSA-N 2 2 345.422 1.623 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000893761441 591080511 /nfs/dbraw/zinc/08/05/11/591080511.db2.gz DNLSXHHSVGNXDA-ZFWWWQNUSA-N 2 2 331.420 1.161 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000893761441 591080516 /nfs/dbraw/zinc/08/05/16/591080516.db2.gz DNLSXHHSVGNXDA-ZFWWWQNUSA-N 2 2 331.420 1.161 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000891472543 591082847 /nfs/dbraw/zinc/08/28/47/591082847.db2.gz NGXSLVOWHCWNFL-SFHVURJKSA-N 2 2 340.512 1.504 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000891472543 591082852 /nfs/dbraw/zinc/08/28/52/591082852.db2.gz NGXSLVOWHCWNFL-SFHVURJKSA-N 2 2 340.512 1.504 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC[C@H](C[NH3+])C3)C2)c1 ZINC000892610481 591095274 /nfs/dbraw/zinc/09/52/74/591095274.db2.gz BXZFMSWEMKYISQ-MSOLQXFVSA-N 2 2 346.475 1.186 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC[C@H](C[NH3+])C3)C2)c1 ZINC000892610481 591095278 /nfs/dbraw/zinc/09/52/78/591095278.db2.gz BXZFMSWEMKYISQ-MSOLQXFVSA-N 2 2 346.475 1.186 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000891605463 591146712 /nfs/dbraw/zinc/14/67/12/591146712.db2.gz FAGJJGKPEBYSKM-HOTGVXAUSA-N 3 2 337.512 1.068 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000891619075 591152587 /nfs/dbraw/zinc/15/25/87/591152587.db2.gz JSKLSIFYOFPVLX-CQSZACIVSA-N 2 2 329.448 1.986 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000891619075 591152590 /nfs/dbraw/zinc/15/25/90/591152590.db2.gz JSKLSIFYOFPVLX-CQSZACIVSA-N 2 2 329.448 1.986 20 0 EDADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000892775236 591170652 /nfs/dbraw/zinc/17/06/52/591170652.db2.gz YELCNWLATNJVSY-OAHLLOKOSA-N 2 2 347.463 1.457 20 0 EDADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000892775236 591170653 /nfs/dbraw/zinc/17/06/53/591170653.db2.gz YELCNWLATNJVSY-OAHLLOKOSA-N 2 2 347.463 1.457 20 0 EDADLP Cc1cc(Br)cc(NC2CC[NH+](CC(N)=O)CC2)[nH+]1 ZINC000891657610 591171599 /nfs/dbraw/zinc/17/15/99/591171599.db2.gz LYVUZLCGEDZYGU-UHFFFAOYSA-N 2 2 327.226 1.514 20 0 EDADLP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000892779976 591173274 /nfs/dbraw/zinc/17/32/74/591173274.db2.gz QLKOLPSDJLNJKB-CABCVRRESA-N 2 2 347.463 1.805 20 0 EDADLP Cc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)nc(C2CCC2)[nH+]1 ZINC000894110897 591197470 /nfs/dbraw/zinc/19/74/70/591197470.db2.gz TVMQSGZLGQILRQ-MRXNPFEDSA-N 2 2 343.475 1.843 20 0 EDADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000895673706 591244180 /nfs/dbraw/zinc/24/41/80/591244180.db2.gz RQVICAKDANURAO-KRWDZBQOSA-N 2 2 349.475 1.868 20 0 EDADLP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000895673706 591244182 /nfs/dbraw/zinc/24/41/82/591244182.db2.gz RQVICAKDANURAO-KRWDZBQOSA-N 2 2 349.475 1.868 20 0 EDADLP COCc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc(=O)[nH]1 ZINC000892986173 591246982 /nfs/dbraw/zinc/24/69/82/591246982.db2.gz UJIZTQFRNGKSPN-YIONKMFJSA-N 2 2 347.463 1.076 20 0 EDADLP COCc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc(=O)[nH]1 ZINC000892986173 591246984 /nfs/dbraw/zinc/24/69/84/591246984.db2.gz UJIZTQFRNGKSPN-YIONKMFJSA-N 2 2 347.463 1.076 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)C1C[NH+](C2CCOCC2)C1 ZINC000895950908 591311402 /nfs/dbraw/zinc/31/14/02/591311402.db2.gz JQGLDQGSLGWQRC-UHFFFAOYSA-N 2 2 329.444 1.229 20 0 EDADLP CCn1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(C)n1 ZINC000894452093 591315696 /nfs/dbraw/zinc/31/56/96/591315696.db2.gz PJXDZACVWMUPON-UHFFFAOYSA-N 2 2 333.480 1.197 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[C@H]1CCC(F)(F)C1 ZINC000898493389 591378004 /nfs/dbraw/zinc/37/80/04/591378004.db2.gz RKAXACFGLAADCB-CQSZACIVSA-N 2 2 334.455 1.995 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[C@H]1CCC(F)(F)C1 ZINC000898493389 591378009 /nfs/dbraw/zinc/37/80/09/591378009.db2.gz RKAXACFGLAADCB-CQSZACIVSA-N 2 2 334.455 1.995 20 0 EDADLP C[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)[NH+](C)C ZINC000894742446 591405483 /nfs/dbraw/zinc/40/54/83/591405483.db2.gz FHCPDIAGQAGUPE-SOUVJXGZSA-N 2 2 341.496 1.989 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c[nH+]1 ZINC000898578532 591417616 /nfs/dbraw/zinc/41/76/16/591417616.db2.gz BHWVBOPVYPTIEV-UHFFFAOYSA-N 2 2 348.491 1.934 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897434807 591417782 /nfs/dbraw/zinc/41/77/82/591417782.db2.gz BRZFKSCUWLGSGY-IAGOWNOFSA-N 2 2 345.491 1.812 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897434807 591417788 /nfs/dbraw/zinc/41/77/88/591417788.db2.gz BRZFKSCUWLGSGY-IAGOWNOFSA-N 2 2 345.491 1.812 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1 ZINC000898616824 591443253 /nfs/dbraw/zinc/44/32/53/591443253.db2.gz VMYYAGHELOHECJ-GOSISDBHSA-N 2 2 341.459 1.879 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000898616824 591443256 /nfs/dbraw/zinc/44/32/56/591443256.db2.gz VMYYAGHELOHECJ-GOSISDBHSA-N 2 2 341.459 1.879 20 0 EDADLP O=C(NCCNc1ccc2ccccc2[nH+]1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896444664 591469019 /nfs/dbraw/zinc/46/90/19/591469019.db2.gz KVKJTZOFUCJECA-INIZCTEOSA-N 2 2 340.427 1.484 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[NH+]1CCC1)c1ccc(F)cc1F ZINC000898735027 591488746 /nfs/dbraw/zinc/48/87/46/591488746.db2.gz XGUGRAJGRAIHRX-HNNXBMFYSA-N 2 2 349.385 1.793 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CC[NH+]1C ZINC000896536060 591501105 /nfs/dbraw/zinc/50/11/05/591501105.db2.gz USBCWQOMXGCLQN-NXWXRZEISA-N 2 2 344.503 1.430 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CC[NH+]1C ZINC000896536060 591501107 /nfs/dbraw/zinc/50/11/07/591501107.db2.gz USBCWQOMXGCLQN-NXWXRZEISA-N 2 2 344.503 1.430 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896536060 591501109 /nfs/dbraw/zinc/50/11/09/591501109.db2.gz USBCWQOMXGCLQN-NXWXRZEISA-N 2 2 344.503 1.430 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896536060 591501110 /nfs/dbraw/zinc/50/11/10/591501110.db2.gz USBCWQOMXGCLQN-NXWXRZEISA-N 2 2 344.503 1.430 20 0 EDADLP CCOC(=O)c1n[nH]c([C@H](CC(C)C)[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000895132279 591607665 /nfs/dbraw/zinc/60/76/65/591607665.db2.gz PVLOGHFQMDEDSN-AWEZNQCLSA-N 2 2 337.468 2.000 20 0 EDADLP Nc1nc(N)[nH+]c(N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)n1 ZINC000896838916 591628150 /nfs/dbraw/zinc/62/81/50/591628150.db2.gz UQXFNYISZXDNCV-UHFFFAOYSA-N 2 2 339.447 1.628 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000896982766 591704949 /nfs/dbraw/zinc/70/49/49/591704949.db2.gz ZHUCKJKZXCOMEL-MRXNPFEDSA-N 2 2 349.479 1.142 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000896982766 591704951 /nfs/dbraw/zinc/70/49/51/591704951.db2.gz ZHUCKJKZXCOMEL-MRXNPFEDSA-N 2 2 349.479 1.142 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896982766 591704955 /nfs/dbraw/zinc/70/49/55/591704955.db2.gz ZHUCKJKZXCOMEL-MRXNPFEDSA-N 2 2 349.479 1.142 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896982766 591704960 /nfs/dbraw/zinc/70/49/60/591704960.db2.gz ZHUCKJKZXCOMEL-MRXNPFEDSA-N 2 2 349.479 1.142 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000899160614 591707014 /nfs/dbraw/zinc/70/70/14/591707014.db2.gz RKRPVOXFUQITRL-LPHOPBHVSA-N 2 2 343.471 1.613 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]CC(=O)N2CCc3ccccc32)CC1 ZINC000895488779 591774746 /nfs/dbraw/zinc/77/47/46/591774746.db2.gz UAWPOYTUDHFXRP-UHFFFAOYSA-N 2 2 331.460 1.401 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)OCCO2 ZINC000897229076 591778880 /nfs/dbraw/zinc/77/88/80/591778880.db2.gz RAHIZGHEMOFMRI-BZUAXINKSA-N 2 2 328.428 1.463 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)OCCO2 ZINC000897229076 591778882 /nfs/dbraw/zinc/77/88/82/591778882.db2.gz RAHIZGHEMOFMRI-BZUAXINKSA-N 2 2 328.428 1.463 20 0 EDADLP C[C@H]1C[N@H+](Cc2cn(C[C@H]3CCCO3)nn2)CCN1c1cc[nH+]cc1 ZINC000895556091 591800641 /nfs/dbraw/zinc/80/06/41/591800641.db2.gz DWVJMAZULMOKES-MAUKXSAKSA-N 2 2 342.447 1.563 20 0 EDADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2c(n1)CCCC2 ZINC000895571404 591804253 /nfs/dbraw/zinc/80/42/53/591804253.db2.gz FJFCVVJQZAIZFS-SFHVURJKSA-N 2 2 330.476 1.698 20 0 EDADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2c(n1)CCCC2 ZINC000895571404 591804256 /nfs/dbraw/zinc/80/42/56/591804256.db2.gz FJFCVVJQZAIZFS-SFHVURJKSA-N 2 2 330.476 1.698 20 0 EDADLP Cc1[nH]c(C2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)[nH+]c1C ZINC000899507746 591837114 /nfs/dbraw/zinc/83/71/14/591837114.db2.gz CWQGMJJWELHMGB-ZDUSSCGKSA-N 2 2 334.464 1.701 20 0 EDADLP CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)C1 ZINC000898355978 591887127 /nfs/dbraw/zinc/88/71/27/591887127.db2.gz HEMHTOYVYHCLGR-UKRRQHHQSA-N 2 2 332.404 1.182 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900197540 591937581 /nfs/dbraw/zinc/93/75/81/591937581.db2.gz ITPJUWQBUDPRSB-KBXCAEBGSA-N 2 2 330.432 1.306 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900197540 591937582 /nfs/dbraw/zinc/93/75/82/591937582.db2.gz ITPJUWQBUDPRSB-KBXCAEBGSA-N 2 2 330.432 1.306 20 0 EDADLP CC[NH+](CC)CCOc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000900204180 591940761 /nfs/dbraw/zinc/94/07/61/591940761.db2.gz BYRCNDYKZPZOMO-UHFFFAOYSA-N 2 2 330.432 1.989 20 0 EDADLP CC[NH+](CC)CCOc1ccc(CNC(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000900204180 591940762 /nfs/dbraw/zinc/94/07/62/591940762.db2.gz BYRCNDYKZPZOMO-UHFFFAOYSA-N 2 2 330.432 1.989 20 0 EDADLP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1=O ZINC000902195657 591942338 /nfs/dbraw/zinc/94/23/38/591942338.db2.gz MYLVLWHFBANHEB-CXAGYDPISA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1=O ZINC000902195657 591942340 /nfs/dbraw/zinc/94/23/40/591942340.db2.gz MYLVLWHFBANHEB-CXAGYDPISA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000902195657 591942342 /nfs/dbraw/zinc/94/23/42/591942342.db2.gz MYLVLWHFBANHEB-CXAGYDPISA-N 2 2 347.459 1.325 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1=O ZINC000902195657 591942343 /nfs/dbraw/zinc/94/23/43/591942343.db2.gz MYLVLWHFBANHEB-CXAGYDPISA-N 2 2 347.459 1.325 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000899809573 591946744 /nfs/dbraw/zinc/94/67/44/591946744.db2.gz NCKPXNJFZIIENM-ZIAGYGMSSA-N 2 2 325.416 1.647 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000899809573 591946747 /nfs/dbraw/zinc/94/67/47/591946747.db2.gz NCKPXNJFZIIENM-ZIAGYGMSSA-N 2 2 325.416 1.647 20 0 EDADLP CC[NH+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000899908071 591978263 /nfs/dbraw/zinc/97/82/63/591978263.db2.gz RYXMBVCNKVVGGR-UHFFFAOYSA-N 2 2 327.432 1.773 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000899934439 591988219 /nfs/dbraw/zinc/98/82/19/591988219.db2.gz GRVWSWLEZDRGGH-UHFFFAOYSA-N 2 2 327.432 1.810 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000899934439 591988222 /nfs/dbraw/zinc/98/82/22/591988222.db2.gz GRVWSWLEZDRGGH-UHFFFAOYSA-N 2 2 327.432 1.810 20 0 EDADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900340652 591989569 /nfs/dbraw/zinc/98/95/69/591989569.db2.gz UVKNMQIDOCDBEP-INIZCTEOSA-N 2 2 334.464 1.525 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)n1 ZINC000900326151 591990944 /nfs/dbraw/zinc/99/09/44/591990944.db2.gz ASLXUNXZAOZTFV-INIZCTEOSA-N 2 2 340.493 1.770 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)n1 ZINC000900326151 591990945 /nfs/dbraw/zinc/99/09/45/591990945.db2.gz ASLXUNXZAOZTFV-INIZCTEOSA-N 2 2 340.493 1.770 20 0 EDADLP CNc1nc(NC[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)[nH+]c2ccccc21 ZINC000900362418 591995348 /nfs/dbraw/zinc/99/53/48/591995348.db2.gz LVYYHDGFQRZNJW-LBPRGKRZSA-N 2 2 341.415 1.769 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900448097 592020922 /nfs/dbraw/zinc/02/09/22/592020922.db2.gz HVDZTOXIJZXLTL-UHFFFAOYSA-N 2 2 338.415 1.930 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900563088 592053391 /nfs/dbraw/zinc/05/33/91/592053391.db2.gz WIPXVMLCTAWNAR-IAGOWNOFSA-N 2 2 347.463 1.171 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900563088 592053394 /nfs/dbraw/zinc/05/33/94/592053394.db2.gz WIPXVMLCTAWNAR-IAGOWNOFSA-N 2 2 347.463 1.171 20 0 EDADLP CN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900669029 592086870 /nfs/dbraw/zinc/08/68/70/592086870.db2.gz HJPWVUJYLOOLHE-GBESFXJTSA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900669029 592086873 /nfs/dbraw/zinc/08/68/73/592086873.db2.gz HJPWVUJYLOOLHE-GBESFXJTSA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000900669029 592086874 /nfs/dbraw/zinc/08/68/74/592086874.db2.gz HJPWVUJYLOOLHE-GBESFXJTSA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000900669029 592086876 /nfs/dbraw/zinc/08/68/76/592086876.db2.gz HJPWVUJYLOOLHE-GBESFXJTSA-N 3 2 348.535 1.630 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2cc[nH]c2c1 ZINC000900693360 592096872 /nfs/dbraw/zinc/09/68/72/592096872.db2.gz QFMWVLWLLGCJKQ-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2cc[nH]c2c1 ZINC000900693360 592096873 /nfs/dbraw/zinc/09/68/73/592096873.db2.gz QFMWVLWLLGCJKQ-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CCO1 ZINC000900739653 592114054 /nfs/dbraw/zinc/11/40/54/592114054.db2.gz RMDBDVMJCUQESN-MRXNPFEDSA-N 2 2 340.427 1.650 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000900744110 592115135 /nfs/dbraw/zinc/11/51/35/592115135.db2.gz JHEBLZOGUFRPRO-RYQLBKOJSA-N 2 2 333.476 1.593 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000900744110 592115136 /nfs/dbraw/zinc/11/51/36/592115136.db2.gz JHEBLZOGUFRPRO-RYQLBKOJSA-N 2 2 333.476 1.593 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903088543 592118037 /nfs/dbraw/zinc/11/80/37/592118037.db2.gz KXLRIJHMAAMECK-UEDNIHKISA-N 2 2 349.519 1.186 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000900777927 592121163 /nfs/dbraw/zinc/12/11/63/592121163.db2.gz WNSRCINUGJNBFF-UHFFFAOYSA-N 2 2 347.507 1.648 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000903444040 592172879 /nfs/dbraw/zinc/17/28/79/592172879.db2.gz NYKUMHGSUVJSOZ-CVEARBPZSA-N 2 2 348.466 1.029 20 0 EDADLP CN(CCCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903483178 592177186 /nfs/dbraw/zinc/17/71/86/592177186.db2.gz FPBSTRGCUFSVCH-GOSISDBHSA-N 2 2 344.503 1.893 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+]2CCOCC2)s1 ZINC000900941324 592179796 /nfs/dbraw/zinc/17/97/96/592179796.db2.gz KJOMXQSFUGFFTK-HNNXBMFYSA-N 2 2 349.500 1.642 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)C[C@H]2CCCCC2(F)F)CC1 ZINC000903565213 592212022 /nfs/dbraw/zinc/21/20/22/592212022.db2.gz GTLORQVAVPQDEQ-GFCCVEGCSA-N 2 2 339.452 1.154 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000903565022 592212097 /nfs/dbraw/zinc/21/20/97/592212097.db2.gz CQAVXHNQMXMWHG-UHFFFAOYSA-N 2 2 349.859 1.322 20 0 EDADLP O=C(NCc1nc(C[NH+]2CCCCC2)no1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000908009080 592260236 /nfs/dbraw/zinc/26/02/36/592260236.db2.gz CZWCZNPTTRTNEX-GJZGRUSLSA-N 2 2 347.463 1.689 20 0 EDADLP O=C(NCc1nc(C[NH+]2CCCCC2)no1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908009081 592260437 /nfs/dbraw/zinc/26/04/37/592260437.db2.gz CZWCZNPTTRTNEX-HUUCEWRRSA-N 2 2 347.463 1.689 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)c1cccn1CC[NH+]1CCOCC1 ZINC000906659231 592269180 /nfs/dbraw/zinc/26/91/80/592269180.db2.gz DEBFIIUGYWNVAC-UHFFFAOYSA-N 2 2 339.399 1.720 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]3C[C@H]4OCC[C@H]4[NH2+]3)n2)cn1 ZINC000904589766 592287885 /nfs/dbraw/zinc/28/78/85/592287885.db2.gz NXWFLOSKUVZEJQ-HZSPNIEDSA-N 2 2 338.371 1.818 20 0 EDADLP COc1cccc([C@@H]2C[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)c1 ZINC000903752946 592296459 /nfs/dbraw/zinc/29/64/59/592296459.db2.gz QLAHBGVKFLYARG-GBESFXJTSA-N 2 2 332.444 1.837 20 0 EDADLP COc1cccc([C@@H]2C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)c1 ZINC000903752946 592296463 /nfs/dbraw/zinc/29/64/63/592296463.db2.gz QLAHBGVKFLYARG-GBESFXJTSA-N 2 2 332.444 1.837 20 0 EDADLP Cc1ccc(CNC(=O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1F ZINC000903816676 592325051 /nfs/dbraw/zinc/32/50/51/592325051.db2.gz ZWOOSBYEGFHDNE-UHFFFAOYSA-N 2 2 349.450 1.595 20 0 EDADLP Cc1ccc(CNC(=O)C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1F ZINC000903816676 592325056 /nfs/dbraw/zinc/32/50/56/592325056.db2.gz ZWOOSBYEGFHDNE-UHFFFAOYSA-N 2 2 349.450 1.595 20 0 EDADLP O=S1(=O)CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C2CC2)C1 ZINC000903827933 592335270 /nfs/dbraw/zinc/33/52/70/592335270.db2.gz ZTWLLSPFNWFGGM-YQAQFAQXSA-N 2 2 326.506 1.806 20 0 EDADLP O=S1(=O)CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C2CC2)C1 ZINC000903827933 592335274 /nfs/dbraw/zinc/33/52/74/592335274.db2.gz ZTWLLSPFNWFGGM-YQAQFAQXSA-N 2 2 326.506 1.806 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(C)[nH+]1 ZINC000908185684 592365721 /nfs/dbraw/zinc/36/57/21/592365721.db2.gz SNMPEKJOOWWCHO-INIZCTEOSA-N 2 2 344.459 1.432 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)cnn1C ZINC000903897774 592367365 /nfs/dbraw/zinc/36/73/65/592367365.db2.gz GDPNFPCKQVPBCF-KGLIPLIRSA-N 2 2 347.429 1.414 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H]([NH3+])CC(F)F)c2)CCO1 ZINC000903924668 592379102 /nfs/dbraw/zinc/37/91/02/592379102.db2.gz GOISJZWCYLEYJE-CZUORRHYSA-N 3 2 327.419 1.979 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H]([NH3+])CC(F)F)c2)CCO1 ZINC000903924668 592379108 /nfs/dbraw/zinc/37/91/08/592379108.db2.gz GOISJZWCYLEYJE-CZUORRHYSA-N 3 2 327.419 1.979 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)cnn1C ZINC000903986591 592406532 /nfs/dbraw/zinc/40/65/32/592406532.db2.gz MSLZXLBKAFBJHL-SKDZVZGDSA-N 2 2 332.423 1.907 20 0 EDADLP O[C@@H](C[NH2+]CC1([NH+]2CCSCC2)CCCCC1)C1(O)CCC1 ZINC000905111307 592411662 /nfs/dbraw/zinc/41/16/62/592411662.db2.gz VXWKHMIZSRQORN-HNNXBMFYSA-N 2 2 328.522 1.604 20 0 EDADLP CSC1(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC000908284788 592424260 /nfs/dbraw/zinc/42/42/60/592424260.db2.gz AJTYIHARTZRGEU-NTCAYCPXSA-N 2 2 341.521 1.209 20 0 EDADLP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCCn3cc[nH+]c3)C2)[C@H]1C(C)C ZINC000905136286 592431019 /nfs/dbraw/zinc/43/10/19/592431019.db2.gz HLMIVHRUSJLPSL-YFHUEUNASA-N 2 2 349.479 1.052 20 0 EDADLP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCCn3cc[nH+]c3)C2)[C@H]1C(C)C ZINC000905136286 592431023 /nfs/dbraw/zinc/43/10/23/592431023.db2.gz HLMIVHRUSJLPSL-YFHUEUNASA-N 2 2 349.479 1.052 20 0 EDADLP NC(=O)[C@@H]([NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1)c1ccccc1 ZINC000901727214 592445448 /nfs/dbraw/zinc/44/54/48/592445448.db2.gz DUDANZPVGUETKX-RISCZKNCSA-N 2 2 349.232 1.777 20 0 EDADLP CN1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901730852 592447168 /nfs/dbraw/zinc/44/71/68/592447168.db2.gz XZZALXFKDPOSOK-VHSXEESVSA-N 2 2 327.226 1.171 20 0 EDADLP C[C@@]1(CN2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CCC[NH2+]C1 ZINC000904304336 592472935 /nfs/dbraw/zinc/47/29/35/592472935.db2.gz ZGSZTHZJYAQRJG-HXUWFJFHSA-N 2 2 345.487 1.965 20 0 EDADLP C[C@@]1(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)CCC[NH2+]C1 ZINC000904304336 592472938 /nfs/dbraw/zinc/47/29/38/592472938.db2.gz ZGSZTHZJYAQRJG-HXUWFJFHSA-N 2 2 345.487 1.965 20 0 EDADLP OC1(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCCCC1 ZINC000905446501 592528233 /nfs/dbraw/zinc/52/82/33/592528233.db2.gz HYJSMTSOUUXZDQ-KRWDZBQOSA-N 2 2 325.497 1.068 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000905493059 592552683 /nfs/dbraw/zinc/55/26/83/592552683.db2.gz QEIRQWCCFVPFRK-RBSFLKMASA-N 2 2 331.416 1.413 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@H](O)CC2(CO)CCCC2)n1 ZINC000905532846 592564218 /nfs/dbraw/zinc/56/42/18/592564218.db2.gz LOCIDJJBGKLCOQ-CQSZACIVSA-N 2 2 327.494 1.598 20 0 EDADLP CCN1CCC[C@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1=O ZINC000905554888 592564849 /nfs/dbraw/zinc/56/48/49/592564849.db2.gz ZWKVGJPGNACXCS-CVEARBPZSA-N 2 2 344.459 1.615 20 0 EDADLP O[C@@H](C[NH2+]CCOC1CCOCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000905611442 592593982 /nfs/dbraw/zinc/59/39/82/592593982.db2.gz YJNTUTDZNRSETE-SFHVURJKSA-N 2 2 334.460 1.191 20 0 EDADLP O[C@@H](C[NH2+]CCOC1CCOCC1)C[N@H+]1CCc2ccccc2C1 ZINC000905611442 592593984 /nfs/dbraw/zinc/59/39/84/592593984.db2.gz YJNTUTDZNRSETE-SFHVURJKSA-N 2 2 334.460 1.191 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(F)c(F)c1 ZINC000905617477 592595471 /nfs/dbraw/zinc/59/54/71/592595471.db2.gz DMXIYHDQRUZEHJ-YOEHRIQHSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(F)c(F)c1 ZINC000905617477 592595473 /nfs/dbraw/zinc/59/54/73/592595473.db2.gz DMXIYHDQRUZEHJ-YOEHRIQHSA-N 2 2 326.387 1.841 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC[C@@H]2C[NH2+]CCC2(F)F)[nH+]cn1 ZINC000905679899 592610279 /nfs/dbraw/zinc/61/02/79/592610279.db2.gz ZBOQMSNEYHRVSX-NWDGAFQWSA-N 2 2 327.379 1.094 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC[C@@H]2C[NH2+]CCC2(F)F)nc[nH+]1 ZINC000905679899 592610281 /nfs/dbraw/zinc/61/02/81/592610281.db2.gz ZBOQMSNEYHRVSX-NWDGAFQWSA-N 2 2 327.379 1.094 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC2(CO)CCCC2)C[C@H](C)O1 ZINC000905896874 592671612 /nfs/dbraw/zinc/67/16/12/592671612.db2.gz PPSQZERPPQMHDP-IXDOHACOSA-N 2 2 328.497 1.379 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC2(CO)CCCC2)C[C@H](C)O1 ZINC000905896874 592671613 /nfs/dbraw/zinc/67/16/13/592671613.db2.gz PPSQZERPPQMHDP-IXDOHACOSA-N 2 2 328.497 1.379 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)N(C)C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000907569874 592714315 /nfs/dbraw/zinc/71/43/15/592714315.db2.gz PNMZZSJFFFBSRY-QGZVFWFLSA-N 2 2 347.507 1.320 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000909212549 592771098 /nfs/dbraw/zinc/77/10/98/592771098.db2.gz OVFLWCAYDZVVMB-GOSISDBHSA-N 2 2 338.540 1.735 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000909212549 592771100 /nfs/dbraw/zinc/77/11/00/592771100.db2.gz OVFLWCAYDZVVMB-GOSISDBHSA-N 2 2 338.540 1.735 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(Cc3ncon3)nn2)C1 ZINC000906263614 592777245 /nfs/dbraw/zinc/77/72/45/592777245.db2.gz QQNTWQUGPNBQOD-CQSZACIVSA-N 2 2 328.380 1.051 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(Cc3ncon3)nn2)C1 ZINC000906263614 592777249 /nfs/dbraw/zinc/77/72/49/592777249.db2.gz QQNTWQUGPNBQOD-CQSZACIVSA-N 2 2 328.380 1.051 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000907796982 592798728 /nfs/dbraw/zinc/79/87/28/592798728.db2.gz RBRZSOZJPZTRCD-KSSFIOAISA-N 2 2 333.432 1.215 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000907796982 592798733 /nfs/dbraw/zinc/79/87/33/592798733.db2.gz RBRZSOZJPZTRCD-KSSFIOAISA-N 2 2 333.432 1.215 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906435630 592817831 /nfs/dbraw/zinc/81/78/31/592817831.db2.gz UEMYKKLZEQQNEC-KRWDZBQOSA-N 2 2 348.491 1.280 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906435630 592817833 /nfs/dbraw/zinc/81/78/33/592817833.db2.gz UEMYKKLZEQQNEC-KRWDZBQOSA-N 2 2 348.491 1.280 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC3(CC[NH+]3Cc3ccccc3)C2)C1 ZINC000910785677 592891778 /nfs/dbraw/zinc/89/17/78/592891778.db2.gz GISLKVFKBUMJCS-KRWDZBQOSA-N 2 2 329.444 1.194 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC3(CC[NH+]3Cc3ccccc3)C2)C1 ZINC000910785677 592891779 /nfs/dbraw/zinc/89/17/79/592891779.db2.gz GISLKVFKBUMJCS-KRWDZBQOSA-N 2 2 329.444 1.194 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000910785677 592891780 /nfs/dbraw/zinc/89/17/80/592891780.db2.gz GISLKVFKBUMJCS-KRWDZBQOSA-N 2 2 329.444 1.194 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)C1 ZINC000910785677 592891781 /nfs/dbraw/zinc/89/17/81/592891781.db2.gz GISLKVFKBUMJCS-KRWDZBQOSA-N 2 2 329.444 1.194 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2c2c[nH+]cn2C)C[C@H](C)[N@H+]1C ZINC000910843813 592896046 /nfs/dbraw/zinc/89/60/46/592896046.db2.gz STAKEGARMXCVJW-ZNMIVQPWSA-N 2 2 347.463 1.025 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2c2c[nH+]cn2C)C[C@H](C)[N@@H+]1C ZINC000910843813 592896047 /nfs/dbraw/zinc/89/60/47/592896047.db2.gz STAKEGARMXCVJW-ZNMIVQPWSA-N 2 2 347.463 1.025 20 0 EDADLP C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1(C)C ZINC000911577417 592953059 /nfs/dbraw/zinc/95/30/59/592953059.db2.gz BNHPJPIIXQJDCB-IRXDYDNUSA-N 2 2 348.491 1.279 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccn[nH]1)c1ccccc1 ZINC000911632699 592970582 /nfs/dbraw/zinc/97/05/82/592970582.db2.gz JGKCUXUWKXEGFU-SJORKVTESA-N 2 2 329.448 1.479 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc(C)[nH+]1 ZINC000911313538 592997012 /nfs/dbraw/zinc/99/70/12/592997012.db2.gz FQVOIYCSZBXNJY-GOSISDBHSA-N 2 2 330.432 1.059 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000912356497 593088283 /nfs/dbraw/zinc/08/82/83/593088283.db2.gz KHKFXYOKHMFEFC-UHFFFAOYSA-N 2 2 327.428 1.568 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838116988 593128058 /nfs/dbraw/zinc/12/80/58/593128058.db2.gz XUXJEMTWEKAFNS-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838116988 593128060 /nfs/dbraw/zinc/12/80/60/593128060.db2.gz XUXJEMTWEKAFNS-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000808780600 593287578 /nfs/dbraw/zinc/28/75/78/593287578.db2.gz UJJOHCWWMWHRDC-OAHLLOKOSA-N 2 2 346.500 1.875 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000808977010 593304951 /nfs/dbraw/zinc/30/49/51/593304951.db2.gz OZUVPNFNHNTGFP-AWEZNQCLSA-N 2 2 349.479 1.631 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000808977010 593304953 /nfs/dbraw/zinc/30/49/53/593304953.db2.gz OZUVPNFNHNTGFP-AWEZNQCLSA-N 2 2 349.479 1.631 20 0 EDADLP COC1CC[NH+](CC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000809634121 593351119 /nfs/dbraw/zinc/35/11/19/593351119.db2.gz SSFSYXCJXXQIDN-UHFFFAOYSA-N 2 2 327.469 1.743 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000840033555 593399037 /nfs/dbraw/zinc/39/90/37/593399037.db2.gz ZRSMDDSCWBUDFL-FQBWVUSXSA-N 2 2 347.503 1.774 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000840033555 593399038 /nfs/dbraw/zinc/39/90/38/593399038.db2.gz ZRSMDDSCWBUDFL-FQBWVUSXSA-N 2 2 347.503 1.774 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)C1 ZINC000811776752 593481468 /nfs/dbraw/zinc/48/14/68/593481468.db2.gz GDEXIYMPUBSQOX-UKPHBRMFSA-N 2 2 332.448 1.583 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)C1 ZINC000811776752 593481469 /nfs/dbraw/zinc/48/14/69/593481469.db2.gz GDEXIYMPUBSQOX-UKPHBRMFSA-N 2 2 332.448 1.583 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Cc3[nH]cc[nH+]3)c2)CCO1 ZINC000816902491 593556537 /nfs/dbraw/zinc/55/65/37/593556537.db2.gz ULNIGGCNDVFUSU-CQSZACIVSA-N 2 2 328.416 1.489 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Cc3[nH]cc[nH+]3)c2)CCO1 ZINC000816902491 593556538 /nfs/dbraw/zinc/55/65/38/593556538.db2.gz ULNIGGCNDVFUSU-CQSZACIVSA-N 2 2 328.416 1.489 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000817929643 593649855 /nfs/dbraw/zinc/64/98/55/593649855.db2.gz JNLJJKROGFZXCR-NVXWUHKLSA-N 2 2 340.489 1.001 20 0 EDADLP CCS(=O)(=O)CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000818988476 593732720 /nfs/dbraw/zinc/73/27/20/593732720.db2.gz QOBOYFAZQOQXFL-CQSZACIVSA-N 2 2 330.519 1.984 20 0 EDADLP CCS(=O)(=O)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000818988476 593732721 /nfs/dbraw/zinc/73/27/21/593732721.db2.gz QOBOYFAZQOQXFL-CQSZACIVSA-N 2 2 330.519 1.984 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000819635446 593761984 /nfs/dbraw/zinc/76/19/84/593761984.db2.gz SVJKCYWOLOINHG-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000820091842 593789984 /nfs/dbraw/zinc/78/99/84/593789984.db2.gz BHOKFEGDEQAXOG-GFCCVEGCSA-N 2 2 336.465 1.375 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000820091842 593789985 /nfs/dbraw/zinc/78/99/85/593789985.db2.gz BHOKFEGDEQAXOG-GFCCVEGCSA-N 2 2 336.465 1.375 20 0 EDADLP O[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823681740 593833361 /nfs/dbraw/zinc/83/33/61/593833361.db2.gz JYNAWTBRGSFRCH-OAHLLOKOSA-N 2 2 339.403 1.503 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821181966 593984828 /nfs/dbraw/zinc/98/48/28/593984828.db2.gz RJURUARBOCXGRG-LBPRGKRZSA-N 2 2 325.420 1.979 20 0 EDADLP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CCCC[N@@H+]3CCO)ccc21 ZINC000824583853 594042576 /nfs/dbraw/zinc/04/25/76/594042576.db2.gz SLJRTBROLQIFMR-KRWDZBQOSA-N 2 2 331.460 1.532 20 0 EDADLP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CCCC[N@H+]3CCO)ccc21 ZINC000824583853 594042578 /nfs/dbraw/zinc/04/25/78/594042578.db2.gz SLJRTBROLQIFMR-KRWDZBQOSA-N 2 2 331.460 1.532 20 0 EDADLP CCc1[nH+]c2ccccc2n1Cc1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000823011408 594136429 /nfs/dbraw/zinc/13/64/29/594136429.db2.gz AVVLXGFNQACBKY-LBPRGKRZSA-N 2 2 327.388 1.561 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1)C1CCCCC1 ZINC000823024814 594139535 /nfs/dbraw/zinc/13/95/35/594139535.db2.gz IFIBHBVQWATYRT-UHFFFAOYSA-N 2 2 333.480 1.709 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1)C1CCCCC1 ZINC000823024814 594139537 /nfs/dbraw/zinc/13/95/37/594139537.db2.gz IFIBHBVQWATYRT-UHFFFAOYSA-N 2 2 333.480 1.709 20 0 EDADLP CCCCC[C@H](O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823267660 594178310 /nfs/dbraw/zinc/17/83/10/594178310.db2.gz YNTGRUWKBXLSDF-IRXDYDNUSA-N 2 2 325.497 1.555 20 0 EDADLP CCCCC[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823267660 594178309 /nfs/dbraw/zinc/17/83/09/594178309.db2.gz YNTGRUWKBXLSDF-IRXDYDNUSA-N 2 2 325.497 1.555 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825754538 594238975 /nfs/dbraw/zinc/23/89/75/594238975.db2.gz BOIJNTFBISEOPM-AWEZNQCLSA-N 2 2 338.419 1.858 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825754538 594238977 /nfs/dbraw/zinc/23/89/77/594238977.db2.gz BOIJNTFBISEOPM-AWEZNQCLSA-N 2 2 338.419 1.858 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826034508 594311990 /nfs/dbraw/zinc/31/19/90/594311990.db2.gz SQHBXBXCECZGRG-HNNXBMFYSA-N 2 2 341.463 1.473 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826034508 594311992 /nfs/dbraw/zinc/31/19/92/594311992.db2.gz SQHBXBXCECZGRG-HNNXBMFYSA-N 2 2 341.463 1.473 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)[NH+](C)C ZINC000826596230 594535531 /nfs/dbraw/zinc/53/55/31/594535531.db2.gz AIOAPJSOPWIOIL-ROUUACIJSA-N 2 2 333.476 1.652 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)[NH+](C)C ZINC000826596230 594535532 /nfs/dbraw/zinc/53/55/32/594535532.db2.gz AIOAPJSOPWIOIL-ROUUACIJSA-N 2 2 333.476 1.652 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000827457259 594674003 /nfs/dbraw/zinc/67/40/03/594674003.db2.gz XUZURSDGYFGEPA-UHFFFAOYSA-N 2 2 344.503 1.600 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000827494425 594677132 /nfs/dbraw/zinc/67/71/32/594677132.db2.gz LTKKXOZAKZCFNU-UKRRQHHQSA-N 2 2 332.448 1.274 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000827494425 594677133 /nfs/dbraw/zinc/67/71/33/594677133.db2.gz LTKKXOZAKZCFNU-UKRRQHHQSA-N 2 2 332.448 1.274 20 0 EDADLP CCO[C@@H](CNC(=O)CCn1c(C)[nH+]c2ccccc21)C[NH+](C)C ZINC000831724738 594696533 /nfs/dbraw/zinc/69/65/33/594696533.db2.gz RSKCJRQVROVEKW-HNNXBMFYSA-N 2 2 332.448 1.818 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)NCC[NH2+]C1CC1)c1[nH+]ccn1C ZINC000841668954 594932830 /nfs/dbraw/zinc/93/28/30/594932830.db2.gz MDTQVRMGMIHHLG-MRXNPFEDSA-N 2 2 343.431 1.569 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1[nH+]ccn1C ZINC000841667828 594932889 /nfs/dbraw/zinc/93/28/89/594932889.db2.gz FKCNJGQEFZHZLU-CJNGLKHVSA-N 2 2 343.431 1.521 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000841689845 594937978 /nfs/dbraw/zinc/93/79/78/594937978.db2.gz GZVSMMWXWNLVTI-HIFRSBDPSA-N 2 2 328.420 1.584 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)C[C@H]21 ZINC000841691736 594938539 /nfs/dbraw/zinc/93/85/39/594938539.db2.gz RYEFVGCUTDVAAK-BZUAXINKSA-N 2 2 340.431 1.536 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)C[C@@H]21 ZINC000841691745 594938560 /nfs/dbraw/zinc/93/85/60/594938560.db2.gz RYEFVGCUTDVAAK-OWCLPIDISA-N 2 2 340.431 1.536 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000836363462 594955707 /nfs/dbraw/zinc/95/57/07/594955707.db2.gz XVBPKOUKYDQPCL-ZNMIVQPWSA-N 2 2 333.436 1.271 20 0 EDADLP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@H]1CSC[NH2+]1 ZINC000841846947 594964219 /nfs/dbraw/zinc/96/42/19/594964219.db2.gz DSTHJRFZVGXSDG-CQSZACIVSA-N 2 2 335.429 1.196 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841943331 594986801 /nfs/dbraw/zinc/98/68/01/594986801.db2.gz LBIZFNPSMFSKRM-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843345575 595081606 /nfs/dbraw/zinc/08/16/06/595081606.db2.gz YAVDVMAFBVQQNM-UHFFFAOYSA-N 2 2 329.404 1.423 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843345575 595081612 /nfs/dbraw/zinc/08/16/12/595081612.db2.gz YAVDVMAFBVQQNM-UHFFFAOYSA-N 2 2 329.404 1.423 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)Cn1cc[nH+]c1C ZINC000837364189 595092390 /nfs/dbraw/zinc/09/23/90/595092390.db2.gz CIWJNHAAKHUKQX-UHFFFAOYSA-N 2 2 336.480 1.933 20 0 EDADLP CCOC(=O)C1=C(C[NH2+][C@@H](C[NH3+])C2CCCCC2)NC(=O)N[C@H]1C ZINC000842476884 595115134 /nfs/dbraw/zinc/11/51/34/595115134.db2.gz VNQBKBLMCKYYRP-AAEUAGOBSA-N 2 2 338.452 1.002 20 0 EDADLP C[C@H]1CC2(CN1C(=O)c1ccc(-n3cc[nH+]c3)nc1)CC[NH2+]CC2 ZINC000842514918 595125386 /nfs/dbraw/zinc/12/53/86/595125386.db2.gz IUSRNFQNHYHAFU-AWEZNQCLSA-N 2 2 325.416 1.872 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)C1 ZINC000842619064 595144906 /nfs/dbraw/zinc/14/49/06/595144906.db2.gz YCONTXOEHZVMII-WBVHZDCISA-N 2 2 340.427 1.847 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](Oc3ccccc3)C2)C1 ZINC000842619064 595144909 /nfs/dbraw/zinc/14/49/09/595144909.db2.gz YCONTXOEHZVMII-WBVHZDCISA-N 2 2 340.427 1.847 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(N2CCNC2=O)cc1 ZINC000834851031 595230423 /nfs/dbraw/zinc/23/04/23/595230423.db2.gz SGDKLQCDRJWMFT-QAPCUYQASA-N 2 2 346.475 1.714 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(N2CCNC2=O)cc1 ZINC000834851031 595230426 /nfs/dbraw/zinc/23/04/26/595230426.db2.gz SGDKLQCDRJWMFT-QAPCUYQASA-N 2 2 346.475 1.714 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000867432719 595281216 /nfs/dbraw/zinc/28/12/16/595281216.db2.gz GDZTVFBDXYIHRO-YPQKKHBXSA-N 2 2 349.500 1.842 20 0 EDADLP O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000844169575 595289723 /nfs/dbraw/zinc/28/97/23/595289723.db2.gz LQVARVPQPBYHOD-KRWDZBQOSA-N 2 2 346.475 1.847 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000844168350 595289788 /nfs/dbraw/zinc/28/97/88/595289788.db2.gz VVWWXQLSVQUFHZ-HXUWFJFHSA-N 2 2 347.422 1.815 20 0 EDADLP c1cn(-c2ccc(-c3noc(C[NH2+]C[C@@H]4CCCO4)n3)cn2)c[nH+]1 ZINC000843173484 595299209 /nfs/dbraw/zinc/29/92/09/595299209.db2.gz RDZCFSFLDWQNCN-ZDUSSCGKSA-N 2 2 326.360 1.586 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000844199398 595300845 /nfs/dbraw/zinc/30/08/45/595300845.db2.gz ZMEVDTSXPDREBR-ZBFHGGJFSA-N 2 2 325.416 1.872 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221866 595306826 /nfs/dbraw/zinc/30/68/26/595306826.db2.gz WXCVRZOTXHBGJO-HUUCEWRRSA-N 2 2 332.448 1.131 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221866 595306828 /nfs/dbraw/zinc/30/68/28/595306828.db2.gz WXCVRZOTXHBGJO-HUUCEWRRSA-N 2 2 332.448 1.131 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846802670 595318286 /nfs/dbraw/zinc/31/82/86/595318286.db2.gz IILXXRXRJWSMHN-INIZCTEOSA-N 2 2 329.448 1.825 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846802670 595318288 /nfs/dbraw/zinc/31/82/88/595318288.db2.gz IILXXRXRJWSMHN-INIZCTEOSA-N 2 2 329.448 1.825 20 0 EDADLP CON(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000844326158 595325380 /nfs/dbraw/zinc/32/53/80/595325380.db2.gz GSDWACKUAGXOLE-CQSZACIVSA-N 2 2 325.478 1.830 20 0 EDADLP CON(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000844326158 595325383 /nfs/dbraw/zinc/32/53/83/595325383.db2.gz GSDWACKUAGXOLE-CQSZACIVSA-N 2 2 325.478 1.830 20 0 EDADLP CON(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844326158 595325386 /nfs/dbraw/zinc/32/53/86/595325386.db2.gz GSDWACKUAGXOLE-CQSZACIVSA-N 2 2 325.478 1.830 20 0 EDADLP CON(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000844326158 595325389 /nfs/dbraw/zinc/32/53/89/595325389.db2.gz GSDWACKUAGXOLE-CQSZACIVSA-N 2 2 325.478 1.830 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000846913855 595336532 /nfs/dbraw/zinc/33/65/32/595336532.db2.gz GEXFYLYKULIKHO-PKOBYXMFSA-N 2 2 336.476 1.753 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000846913855 595336534 /nfs/dbraw/zinc/33/65/34/595336534.db2.gz GEXFYLYKULIKHO-PKOBYXMFSA-N 2 2 336.476 1.753 20 0 EDADLP Cc1nc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)co1 ZINC000848511434 595399900 /nfs/dbraw/zinc/39/99/00/595399900.db2.gz ROAANNLEGMMAQF-MRXNPFEDSA-N 2 2 330.388 1.882 20 0 EDADLP Cc1nc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000848511434 595399901 /nfs/dbraw/zinc/39/99/01/595399901.db2.gz ROAANNLEGMMAQF-MRXNPFEDSA-N 2 2 330.388 1.882 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCCC[N@H+](CC)C1CCCCC1 ZINC000844922641 595414598 /nfs/dbraw/zinc/41/45/98/595414598.db2.gz OPLKMZKNPWNSKZ-SJORKVTESA-N 2 2 325.497 1.914 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCCC[N@@H+](CC)C1CCCCC1 ZINC000844922641 595414601 /nfs/dbraw/zinc/41/46/01/595414601.db2.gz OPLKMZKNPWNSKZ-SJORKVTESA-N 2 2 325.497 1.914 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849559759 595567520 /nfs/dbraw/zinc/56/75/20/595567520.db2.gz WPMUABAYSUCKNF-CVEARBPZSA-N 2 2 344.463 1.582 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849559759 595567522 /nfs/dbraw/zinc/56/75/22/595567522.db2.gz WPMUABAYSUCKNF-CVEARBPZSA-N 2 2 344.463 1.582 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)N[C@H]2CCn3c[nH+]cc32)c2ccccc2)CC1 ZINC000857983502 595676193 /nfs/dbraw/zinc/67/61/93/595676193.db2.gz BALWSNWFASNNRG-FUHWJXTLSA-N 2 2 339.443 1.433 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000857982887 595676516 /nfs/dbraw/zinc/67/65/16/595676516.db2.gz NPYYFKWBUZQROH-AEFFLSMTSA-N 2 2 340.427 1.642 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858051202 595690490 /nfs/dbraw/zinc/69/04/90/595690490.db2.gz JNPQVZFZCJUNPP-ZWKOTPCHSA-N 2 2 331.460 1.867 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858051202 595690492 /nfs/dbraw/zinc/69/04/92/595690492.db2.gz JNPQVZFZCJUNPP-ZWKOTPCHSA-N 2 2 331.460 1.867 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858051202 595690495 /nfs/dbraw/zinc/69/04/95/595690495.db2.gz JNPQVZFZCJUNPP-ZWKOTPCHSA-N 2 2 331.460 1.867 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858051202 595690496 /nfs/dbraw/zinc/69/04/96/595690496.db2.gz JNPQVZFZCJUNPP-ZWKOTPCHSA-N 2 2 331.460 1.867 20 0 EDADLP Cn1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(Br)n1 ZINC000858196302 595726926 /nfs/dbraw/zinc/72/69/26/595726926.db2.gz NDGCIYULQSHGPF-UHFFFAOYSA-N 2 2 344.301 1.252 20 0 EDADLP Cn1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(Br)n1 ZINC000858196302 595726928 /nfs/dbraw/zinc/72/69/28/595726928.db2.gz NDGCIYULQSHGPF-UHFFFAOYSA-N 2 2 344.301 1.252 20 0 EDADLP CCc1nn(C)c(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850397085 595827425 /nfs/dbraw/zinc/82/74/25/595827425.db2.gz SDOFJMFOQLYSCQ-CYBMUJFWSA-N 2 2 326.872 1.979 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCO1 ZINC000856428898 595987971 /nfs/dbraw/zinc/98/79/71/595987971.db2.gz FROPVNWMFUIIHX-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000861551793 596027304 /nfs/dbraw/zinc/02/73/04/596027304.db2.gz UVJKBZQDQPLCMN-HDICACEKSA-N 2 2 340.431 1.408 20 0 EDADLP O=C(CC[NH+]1CCC([NH+]2CCOCC2)CC1)OCc1ccccc1 ZINC000859354345 596061011 /nfs/dbraw/zinc/06/10/11/596061011.db2.gz XKRACEQEJOJEBC-UHFFFAOYSA-N 2 2 332.444 1.917 20 0 EDADLP COc1cccc([C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000864612491 596282496 /nfs/dbraw/zinc/28/24/96/596282496.db2.gz PRNXWBIMHUNYMB-KRZKXXONSA-N 2 2 347.459 1.303 20 0 EDADLP CCc1ccc([C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000864612521 596282631 /nfs/dbraw/zinc/28/26/31/596282631.db2.gz QKAVHKQLTLREDI-UEKDZROGSA-N 2 2 345.487 1.856 20 0 EDADLP O=C(CC[NH2+]CC1CC1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000870863058 596381082 /nfs/dbraw/zinc/38/10/82/596381082.db2.gz MOSHPQAQKXIEAT-SFHVURJKSA-N 2 2 331.460 1.566 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)c[nH+]2)CCO1 ZINC000870867108 596383184 /nfs/dbraw/zinc/38/31/84/596383184.db2.gz BYCRJBWISAWDFE-BPUTZDHNSA-N 2 2 332.448 1.440 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000864940736 596422925 /nfs/dbraw/zinc/42/29/25/596422925.db2.gz CBKRTNMBSONFMU-TZMCWYRMSA-N 2 2 328.407 1.921 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000864940736 596422928 /nfs/dbraw/zinc/42/29/28/596422928.db2.gz CBKRTNMBSONFMU-TZMCWYRMSA-N 2 2 328.407 1.921 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000870978945 596425888 /nfs/dbraw/zinc/42/58/88/596425888.db2.gz DIHNVKHRTKEKHZ-AEFFLSMTSA-N 2 2 333.476 1.700 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000870978945 596425890 /nfs/dbraw/zinc/42/58/90/596425890.db2.gz DIHNVKHRTKEKHZ-AEFFLSMTSA-N 2 2 333.476 1.700 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[C@@H]([NH3+])C3CC3)C2)c1 ZINC000870978641 596425964 /nfs/dbraw/zinc/42/59/64/596425964.db2.gz XVZZIROCZZWRRI-ZWKOTPCHSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C[C@@H]([NH3+])C3CC3)C2)c1 ZINC000870978641 596425966 /nfs/dbraw/zinc/42/59/66/596425966.db2.gz XVZZIROCZZWRRI-ZWKOTPCHSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])C3CCC3)C2)c1 ZINC000870978825 596426091 /nfs/dbraw/zinc/42/60/91/596426091.db2.gz ZLJHUMBNQYMIGG-ZWKOTPCHSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]([NH3+])C3CCC3)C2)c1 ZINC000870978825 596426093 /nfs/dbraw/zinc/42/60/93/596426093.db2.gz ZLJHUMBNQYMIGG-ZWKOTPCHSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000870980225 596427680 /nfs/dbraw/zinc/42/76/80/596427680.db2.gz ZSZNCEQMOLNFSF-ZWKOTPCHSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000870980225 596427684 /nfs/dbraw/zinc/42/76/84/596427684.db2.gz ZSZNCEQMOLNFSF-ZWKOTPCHSA-N 2 2 331.460 1.439 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)CC1 ZINC000870981984 596428577 /nfs/dbraw/zinc/42/85/77/596428577.db2.gz UQOCRMNXNVAOBX-UHFFFAOYSA-N 2 2 336.524 1.524 20 0 EDADLP C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CC[NH2+]CC1 ZINC000870986162 596430706 /nfs/dbraw/zinc/43/07/06/596430706.db2.gz GYRCHFXVUVPQAE-HNNXBMFYSA-N 2 2 331.460 1.637 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[N@@H+]1CCc2sccc2C1 ZINC000864981409 596434768 /nfs/dbraw/zinc/43/47/68/596434768.db2.gz HHNHFOQAULCFPM-UPHRSURJSA-N 2 2 335.473 1.111 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[N@H+]1CCc2sccc2C1 ZINC000864981409 596434769 /nfs/dbraw/zinc/43/47/69/596434769.db2.gz HHNHFOQAULCFPM-UPHRSURJSA-N 2 2 335.473 1.111 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865041243 596453669 /nfs/dbraw/zinc/45/36/69/596453669.db2.gz PLGCKHZLHSEJLT-HNNXBMFYSA-N 2 2 338.358 1.312 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[N@H+](C)C(C)(C)CC1)n2C ZINC000871154277 596481687 /nfs/dbraw/zinc/48/16/87/596481687.db2.gz DMPIOJWXHCIFJZ-UHFFFAOYSA-N 2 2 344.463 1.591 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[N@@H+](C)C(C)(C)CC1)n2C ZINC000871154277 596481690 /nfs/dbraw/zinc/48/16/90/596481690.db2.gz DMPIOJWXHCIFJZ-UHFFFAOYSA-N 2 2 344.463 1.591 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000865195314 596509965 /nfs/dbraw/zinc/50/99/65/596509965.db2.gz IGPUVOXSYRBOFA-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)C1 ZINC000865195314 596509968 /nfs/dbraw/zinc/50/99/68/596509968.db2.gz IGPUVOXSYRBOFA-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)C1 ZINC000865195314 596509970 /nfs/dbraw/zinc/50/99/70/596509970.db2.gz IGPUVOXSYRBOFA-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP COCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)C1 ZINC000865195314 596509973 /nfs/dbraw/zinc/50/99/73/596509973.db2.gz IGPUVOXSYRBOFA-KGLIPLIRSA-N 2 2 333.423 1.191 20 0 EDADLP CCCn1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)nn1 ZINC000865290522 596529860 /nfs/dbraw/zinc/52/98/60/596529860.db2.gz HGPLKLRMCXVSRJ-INIZCTEOSA-N 2 2 329.452 1.836 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCCO1 ZINC000867825948 596573132 /nfs/dbraw/zinc/57/31/32/596573132.db2.gz DCBAZBNFSODYBH-AWEZNQCLSA-N 2 2 348.422 1.633 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCCO1 ZINC000867825948 596573136 /nfs/dbraw/zinc/57/31/36/596573136.db2.gz DCBAZBNFSODYBH-AWEZNQCLSA-N 2 2 348.422 1.633 20 0 EDADLP Cn1nc(C(F)(F)F)c(C[NH2+]CC2([NH3+])CCOCC2)c1Cl ZINC000863481229 596594067 /nfs/dbraw/zinc/59/40/67/596594067.db2.gz CRDIYDXHGZBLRH-UHFFFAOYSA-N 2 2 326.750 1.690 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542474 596621510 /nfs/dbraw/zinc/62/15/10/596621510.db2.gz FLQNUIZALDDQJX-OAHLLOKOSA-N 2 2 339.480 1.393 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542474 596621513 /nfs/dbraw/zinc/62/15/13/596621513.db2.gz FLQNUIZALDDQJX-OAHLLOKOSA-N 2 2 339.480 1.393 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865619715 596628857 /nfs/dbraw/zinc/62/88/57/596628857.db2.gz WJWPVPRFTGIZRM-LBPRGKRZSA-N 2 2 348.838 1.306 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865619715 596628860 /nfs/dbraw/zinc/62/88/60/596628860.db2.gz WJWPVPRFTGIZRM-LBPRGKRZSA-N 2 2 348.838 1.306 20 0 EDADLP C[NH+](C)C1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCC1 ZINC000119551259 596632298 /nfs/dbraw/zinc/63/22/98/596632298.db2.gz KLGBLHGNGAPNJO-KRWDZBQOSA-N 2 2 331.460 1.660 20 0 EDADLP COc1ccc(-n2cc(C[NH2+][C@H]3CC[N@H+](CC(C)(C)O)C3)cn2)cc1 ZINC000865660539 596642095 /nfs/dbraw/zinc/64/20/95/596642095.db2.gz UPOVFMQJGMFIFD-INIZCTEOSA-N 2 2 344.459 1.816 20 0 EDADLP COc1ccc(-n2cc(C[NH2+][C@H]3CC[N@@H+](CC(C)(C)O)C3)cn2)cc1 ZINC000865660539 596642097 /nfs/dbraw/zinc/64/20/97/596642097.db2.gz UPOVFMQJGMFIFD-INIZCTEOSA-N 2 2 344.459 1.816 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)C1 ZINC000869815597 596647845 /nfs/dbraw/zinc/64/78/45/596647845.db2.gz RBKUNCDDYQNCQM-KRWDZBQOSA-N 2 2 329.444 1.052 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)C1 ZINC000869815597 596647847 /nfs/dbraw/zinc/64/78/47/596647847.db2.gz RBKUNCDDYQNCQM-KRWDZBQOSA-N 2 2 329.444 1.052 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CCC(C)(C)[NH3+])C2)cc1 ZINC000867998715 596649229 /nfs/dbraw/zinc/64/92/29/596649229.db2.gz ZHWQSJPNSQATHU-QGZVFWFLSA-N 2 2 333.476 1.830 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CCC(C)(C)[NH3+])C2)cc1 ZINC000867998715 596649232 /nfs/dbraw/zinc/64/92/32/596649232.db2.gz ZHWQSJPNSQATHU-QGZVFWFLSA-N 2 2 333.476 1.830 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865715103 596658579 /nfs/dbraw/zinc/65/85/79/596658579.db2.gz JGDGLKCGIQHZPT-KRZKXXONSA-N 2 2 343.471 1.608 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865715103 596658580 /nfs/dbraw/zinc/65/85/80/596658580.db2.gz JGDGLKCGIQHZPT-KRZKXXONSA-N 2 2 343.471 1.608 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1[nH+]ccn1CC(F)F)C2=O ZINC000871676305 596668504 /nfs/dbraw/zinc/66/85/04/596668504.db2.gz RNDKGJOMULAKOG-ZUZCIYMTSA-N 2 2 341.362 1.088 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000868102430 596686484 /nfs/dbraw/zinc/68/64/84/596686484.db2.gz IMFOAGBNURHKFK-GOSISDBHSA-N 2 2 346.475 1.585 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000868102430 596686487 /nfs/dbraw/zinc/68/64/87/596686487.db2.gz IMFOAGBNURHKFK-GOSISDBHSA-N 2 2 346.475 1.585 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000865885235 596709699 /nfs/dbraw/zinc/70/96/99/596709699.db2.gz GZKLNJNFUJSMEG-DUXPYHPUSA-N 2 2 344.459 1.051 20 0 EDADLP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000868177905 596712814 /nfs/dbraw/zinc/71/28/14/596712814.db2.gz ICMRAPABIQHHQQ-IXDOHACOSA-N 2 2 330.432 1.440 20 0 EDADLP CNc1nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH+]c2ccccc21 ZINC000866009988 596757042 /nfs/dbraw/zinc/75/70/42/596757042.db2.gz CGVRSJMJBHNIIW-HUUCEWRRSA-N 3 2 342.491 1.847 20 0 EDADLP C[NH+]1CCC2(CC1)CN(c1nc(N)nc(N)[nH+]1)Cc1ccccc12 ZINC000866016879 596759997 /nfs/dbraw/zinc/75/99/97/596759997.db2.gz XPPKQTXYDSVNEM-UHFFFAOYSA-N 2 2 325.420 1.020 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000870125268 596761326 /nfs/dbraw/zinc/76/13/26/596761326.db2.gz XNAPJKCDUHIAHJ-MSOLQXFVSA-N 2 2 344.503 1.528 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)CCn3cc[nH+]c3)CC2)c1 ZINC000870156224 596778838 /nfs/dbraw/zinc/77/88/38/596778838.db2.gz LHKLHUFMTSZXKC-UHFFFAOYSA-N 2 2 328.416 1.626 20 0 EDADLP COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000872250693 596854093 /nfs/dbraw/zinc/85/40/93/596854093.db2.gz KLQGCEGDDKOFSL-RVZJWNSFSA-N 2 2 338.448 1.170 20 0 EDADLP COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000872250693 596854096 /nfs/dbraw/zinc/85/40/96/596854096.db2.gz KLQGCEGDDKOFSL-RVZJWNSFSA-N 2 2 338.448 1.170 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000872305330 596875176 /nfs/dbraw/zinc/87/51/76/596875176.db2.gz IYTMSYUAGLUWGY-ILRSOXBSSA-N 2 2 341.455 1.226 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000872305330 596875179 /nfs/dbraw/zinc/87/51/79/596875179.db2.gz IYTMSYUAGLUWGY-ILRSOXBSSA-N 2 2 341.455 1.226 20 0 EDADLP Cc1cc(NC(=O)/C=C/C[NH+]2CCOCC2)n(C2CC[NH+](C)CC2)n1 ZINC000866407961 596878482 /nfs/dbraw/zinc/87/84/82/596878482.db2.gz YYOIQPQOUNCWSZ-ONEGZZNKSA-N 2 2 347.463 1.285 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000864420974 596888183 /nfs/dbraw/zinc/88/81/83/596888183.db2.gz YHFDLLGGFWFEAD-HNNXBMFYSA-N 2 2 326.404 1.472 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)nc2)CC1 ZINC000874069320 596916014 /nfs/dbraw/zinc/91/60/14/596916014.db2.gz VIJWGSUXVBDWSD-QGZVFWFLSA-N 2 2 343.475 1.789 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+]3C3CCCC3)nc2)CC1 ZINC000874069320 596916017 /nfs/dbraw/zinc/91/60/17/596916017.db2.gz VIJWGSUXVBDWSD-QGZVFWFLSA-N 2 2 343.475 1.789 20 0 EDADLP O=C(C[NH+]1CCCC1)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000874195238 596963481 /nfs/dbraw/zinc/96/34/81/596963481.db2.gz HAJSCJXFRCTUEB-UHFFFAOYSA-N 2 2 347.459 1.110 20 0 EDADLP COC1CC[NH+](CCNC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000876207791 597136685 /nfs/dbraw/zinc/13/66/85/597136685.db2.gz HWUHBNONUSUIDC-SFHVURJKSA-N 2 2 346.475 1.583 20 0 EDADLP COC1CC[NH+](CCNC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000876207791 597136686 /nfs/dbraw/zinc/13/66/86/597136686.db2.gz HWUHBNONUSUIDC-SFHVURJKSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000876208321 597137732 /nfs/dbraw/zinc/13/77/32/597137732.db2.gz MRVQUSLAHUFWDP-FUHWJXTLSA-N 2 2 326.444 1.829 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000876208321 597137736 /nfs/dbraw/zinc/13/77/36/597137736.db2.gz MRVQUSLAHUFWDP-FUHWJXTLSA-N 2 2 326.444 1.829 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000874699610 597141969 /nfs/dbraw/zinc/14/19/69/597141969.db2.gz CTNOEDCGYJEHEE-HNNXBMFYSA-N 2 2 330.432 1.572 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000874699610 597141972 /nfs/dbraw/zinc/14/19/72/597141972.db2.gz CTNOEDCGYJEHEE-HNNXBMFYSA-N 2 2 330.432 1.572 20 0 EDADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000873275226 597245497 /nfs/dbraw/zinc/24/54/97/597245497.db2.gz CZFCXZAZICHZPV-WBMJQRKESA-N 2 2 328.416 1.303 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000875072308 597270498 /nfs/dbraw/zinc/27/04/98/597270498.db2.gz USFUILHIJKNLLN-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000875072308 597270500 /nfs/dbraw/zinc/27/05/00/597270500.db2.gz USFUILHIJKNLLN-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000875072308 597270503 /nfs/dbraw/zinc/27/05/03/597270503.db2.gz USFUILHIJKNLLN-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000875126989 597292668 /nfs/dbraw/zinc/29/26/68/597292668.db2.gz GKUSWAQFNSMZKI-SJORKVTESA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000875126989 597292670 /nfs/dbraw/zinc/29/26/70/597292670.db2.gz GKUSWAQFNSMZKI-SJORKVTESA-N 2 2 340.512 1.518 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000876713939 597300843 /nfs/dbraw/zinc/30/08/43/597300843.db2.gz QQWANJNDBCWHSF-HUUCEWRRSA-N 2 2 345.491 1.930 20 0 EDADLP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCCCn1cc[nH+]c1 ZINC000876732494 597311602 /nfs/dbraw/zinc/31/16/02/597311602.db2.gz XOHRWMLNJYMIKP-HNNXBMFYSA-N 2 2 330.436 1.523 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876752166 597321899 /nfs/dbraw/zinc/32/18/99/597321899.db2.gz IKKVFPJNRXWCCU-RDJZCZTQSA-N 2 2 331.460 1.713 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000877251995 597480259 /nfs/dbraw/zinc/48/02/59/597480259.db2.gz WUJSCJHRLJZIRL-SZMVWBNQSA-N 2 2 334.508 1.146 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000877398563 597509591 /nfs/dbraw/zinc/50/95/91/597509591.db2.gz GJNHGGHAQJSGMY-KGLIPLIRSA-N 2 2 329.485 1.582 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000877398563 597509592 /nfs/dbraw/zinc/50/95/92/597509592.db2.gz GJNHGGHAQJSGMY-KGLIPLIRSA-N 2 2 329.485 1.582 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877400066 597509906 /nfs/dbraw/zinc/50/99/06/597509906.db2.gz RRGMHUFJJQLLJD-LSDHHAIUSA-N 2 2 341.496 1.726 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877400066 597509908 /nfs/dbraw/zinc/50/99/08/597509908.db2.gz RRGMHUFJJQLLJD-LSDHHAIUSA-N 2 2 341.496 1.726 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000877727161 597551717 /nfs/dbraw/zinc/55/17/17/597551717.db2.gz RJCHJUNDVWVYBI-NVXWUHKLSA-N 2 2 333.432 1.214 20 0 EDADLP Cc1ncc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000882987777 597608622 /nfs/dbraw/zinc/60/86/22/597608622.db2.gz ORDPHUDZIWROOP-MRXNPFEDSA-N 2 2 330.388 1.882 20 0 EDADLP Cc1ncc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000882987777 597608626 /nfs/dbraw/zinc/60/86/26/597608626.db2.gz ORDPHUDZIWROOP-MRXNPFEDSA-N 2 2 330.388 1.882 20 0 EDADLP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c2c(c1)COCC2 ZINC000883003416 597614067 /nfs/dbraw/zinc/61/40/67/597614067.db2.gz OTCMMSSNGOPXJU-LJQANCHMSA-N 2 2 345.487 1.255 20 0 EDADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCOc4ccccc43)CC[C@H]21 ZINC000879581132 597641957 /nfs/dbraw/zinc/64/19/57/597641957.db2.gz WUQVKWOTCHRPQS-HZPDHXFCSA-N 2 2 329.444 1.828 20 0 EDADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCOc4ccccc43)CC[C@H]21 ZINC000879581132 597641959 /nfs/dbraw/zinc/64/19/59/597641959.db2.gz WUQVKWOTCHRPQS-HZPDHXFCSA-N 2 2 329.444 1.828 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CCOc4ccccc43)CC[C@H]21 ZINC000879581132 597641961 /nfs/dbraw/zinc/64/19/61/597641961.db2.gz WUQVKWOTCHRPQS-HZPDHXFCSA-N 2 2 329.444 1.828 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCOc4ccccc43)CC[C@H]21 ZINC000879581132 597641963 /nfs/dbraw/zinc/64/19/63/597641963.db2.gz WUQVKWOTCHRPQS-HZPDHXFCSA-N 2 2 329.444 1.828 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000883168210 597674403 /nfs/dbraw/zinc/67/44/03/597674403.db2.gz RWMZSNIZYVOERS-UHFFFAOYSA-N 2 2 342.447 1.811 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000883168210 597674405 /nfs/dbraw/zinc/67/44/05/597674405.db2.gz RWMZSNIZYVOERS-UHFFFAOYSA-N 2 2 342.447 1.811 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756476 597712313 /nfs/dbraw/zinc/71/23/13/597712313.db2.gz WNAPOEISFZBART-JYJNAYRXSA-N 2 2 341.496 1.773 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756476 597712314 /nfs/dbraw/zinc/71/23/14/597712314.db2.gz WNAPOEISFZBART-JYJNAYRXSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756476 597712315 /nfs/dbraw/zinc/71/23/15/597712315.db2.gz WNAPOEISFZBART-JYJNAYRXSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756476 597712317 /nfs/dbraw/zinc/71/23/17/597712317.db2.gz WNAPOEISFZBART-JYJNAYRXSA-N 2 2 341.496 1.773 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cn1 ZINC000878848666 597734110 /nfs/dbraw/zinc/73/41/10/597734110.db2.gz ZREYMLNCAOOTEZ-QGZVFWFLSA-N 2 2 342.447 1.753 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cn1 ZINC000878848666 597734113 /nfs/dbraw/zinc/73/41/13/597734113.db2.gz ZREYMLNCAOOTEZ-QGZVFWFLSA-N 2 2 342.447 1.753 20 0 EDADLP COc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(Cl)n1 ZINC000879884116 597747251 /nfs/dbraw/zinc/74/72/51/597747251.db2.gz OJYXRPSVMRGTDL-UHFFFAOYSA-N 2 2 343.859 1.749 20 0 EDADLP COc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(Cl)n1 ZINC000879884116 597747253 /nfs/dbraw/zinc/74/72/53/597747253.db2.gz OJYXRPSVMRGTDL-UHFFFAOYSA-N 2 2 343.859 1.749 20 0 EDADLP Cc1nc2nc(C)cc(N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000881978028 597824859 /nfs/dbraw/zinc/82/48/59/597824859.db2.gz WGBRNYUKNYOQJH-AWEZNQCLSA-N 2 2 329.452 1.322 20 0 EDADLP Cc1nc2nc(C)cc(N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000881978028 597824864 /nfs/dbraw/zinc/82/48/64/597824864.db2.gz WGBRNYUKNYOQJH-AWEZNQCLSA-N 2 2 329.452 1.322 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@H](C(F)(F)F)O1 ZINC000880064269 597828151 /nfs/dbraw/zinc/82/81/51/597828151.db2.gz LOQLIRHWLOXKGL-DGCLKSJQSA-N 2 2 337.386 1.239 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@H](C(F)(F)F)O1 ZINC000880064269 597828155 /nfs/dbraw/zinc/82/81/55/597828155.db2.gz LOQLIRHWLOXKGL-DGCLKSJQSA-N 2 2 337.386 1.239 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccnc(C(=O)N3CCCC3)c2)CC1 ZINC000882055316 597854581 /nfs/dbraw/zinc/85/45/81/597854581.db2.gz KLMSLJFPVLKPSD-UHFFFAOYSA-N 2 2 345.491 1.756 20 0 EDADLP CC1(C)OC[C@@H](CC[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)O1 ZINC000880253400 597883890 /nfs/dbraw/zinc/88/38/90/597883890.db2.gz OOQALZSSZLUHOC-OAHLLOKOSA-N 2 2 339.480 1.334 20 0 EDADLP CC(C)CC[C@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254319 597884619 /nfs/dbraw/zinc/88/46/19/597884619.db2.gz SGPGGTXIYIMCAQ-INIZCTEOSA-N 2 2 325.497 1.589 20 0 EDADLP Cc1cccc(C(=O)NC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000879350374 597895515 /nfs/dbraw/zinc/89/55/15/597895515.db2.gz DTUDECCGCOAJCC-LJQANCHMSA-N 2 2 345.487 1.644 20 0 EDADLP Cc1cccc(C(=O)NC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000879350374 597895518 /nfs/dbraw/zinc/89/55/18/597895518.db2.gz DTUDECCGCOAJCC-LJQANCHMSA-N 2 2 345.487 1.644 20 0 EDADLP CC1([NH+]2CCC2)CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000880472997 597940291 /nfs/dbraw/zinc/94/02/91/597940291.db2.gz LFAZWAMTVKOVMT-UHFFFAOYSA-N 2 2 334.464 1.411 20 0 EDADLP CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880591558 597975328 /nfs/dbraw/zinc/97/53/28/597975328.db2.gz LKEJKVXYUSALPP-SFHVURJKSA-N 2 2 333.476 1.851 20 0 EDADLP CC(C)C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880591558 597975330 /nfs/dbraw/zinc/97/53/30/597975330.db2.gz LKEJKVXYUSALPP-SFHVURJKSA-N 2 2 333.476 1.851 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000882494347 597976993 /nfs/dbraw/zinc/97/69/93/597976993.db2.gz PSPYDMMBJVKCHM-AWEZNQCLSA-N 2 2 326.444 1.980 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000882494347 597976994 /nfs/dbraw/zinc/97/69/94/597976994.db2.gz PSPYDMMBJVKCHM-AWEZNQCLSA-N 2 2 326.444 1.980 20 0 EDADLP CC[NH+]1CC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000882494347 597976995 /nfs/dbraw/zinc/97/69/95/597976995.db2.gz PSPYDMMBJVKCHM-AWEZNQCLSA-N 2 2 326.444 1.980 20 0 EDADLP CC[NH+]1CC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000882494347 597976996 /nfs/dbraw/zinc/97/69/96/597976996.db2.gz PSPYDMMBJVKCHM-AWEZNQCLSA-N 2 2 326.444 1.980 20 0 EDADLP CC1(C)C[NH2+]C[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000884463479 598112607 /nfs/dbraw/zinc/11/26/07/598112607.db2.gz IMAJKBYELNNNTC-AWEZNQCLSA-N 2 2 334.489 1.497 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000914084456 695075582 /nfs/dbraw/zinc/07/55/82/695075582.db2.gz GSSWNMIBBNSPND-HJOIGYKYSA-N 2 2 338.496 1.413 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000914175518 695252986 /nfs/dbraw/zinc/25/29/86/695252986.db2.gz CWJUGNRPIHWXDD-UHFFFAOYSA-N 2 2 349.479 1.636 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000914175518 695252989 /nfs/dbraw/zinc/25/29/89/695252989.db2.gz CWJUGNRPIHWXDD-UHFFFAOYSA-N 2 2 349.479 1.636 20 0 EDADLP C[C@@H](CNC(=O)NCc1nc(C[NH+](C)C)cs1)C[NH+]1CCCC1 ZINC000914243236 695302913 /nfs/dbraw/zinc/30/29/13/695302913.db2.gz GYLTUSNKSMLNKS-ZDUSSCGKSA-N 2 2 339.509 1.736 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c1C ZINC000939856743 699995888 /nfs/dbraw/zinc/99/58/88/699995888.db2.gz PFFRJJPZVLKSSO-YOEHRIQHSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc(C(C)(C)C)on1 ZINC000939858608 699997838 /nfs/dbraw/zinc/99/78/38/699997838.db2.gz ZIFXCCMEJGPKLN-ZFWWWQNUSA-N 2 2 345.447 1.805 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992879565 695424027 /nfs/dbraw/zinc/42/40/27/695424027.db2.gz UVXWIHFCVQDWKB-QLFBSQMISA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3csnn3)[C@H]2C1 ZINC000992922202 695455562 /nfs/dbraw/zinc/45/55/62/695455562.db2.gz GXGWRXJVCWKNLO-QEJZJMRPSA-N 2 2 346.460 1.152 20 0 EDADLP COc1cc[nH+]c(CN2CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)c1 ZINC001031082589 695485958 /nfs/dbraw/zinc/48/59/58/695485958.db2.gz QPUICHHUWUKDLQ-AEFFLSMTSA-N 2 2 344.459 1.408 20 0 EDADLP COc1cc[nH+]c(CN2CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)c1 ZINC001031082589 695485959 /nfs/dbraw/zinc/48/59/59/695485959.db2.gz QPUICHHUWUKDLQ-AEFFLSMTSA-N 2 2 344.459 1.408 20 0 EDADLP O=C(NC1C[NH+](CC[C@H]2CCCO2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001031161052 695624259 /nfs/dbraw/zinc/62/42/59/695624259.db2.gz FUXBZZDCAIBWNL-QGZVFWFLSA-N 2 2 341.415 1.250 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](CC)OC)C1 ZINC001031235255 695929011 /nfs/dbraw/zinc/92/90/11/695929011.db2.gz PSMHOVYHIDKQIG-IAGOWNOFSA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](CC)OC)C1 ZINC001031235255 695929012 /nfs/dbraw/zinc/92/90/12/695929012.db2.gz PSMHOVYHIDKQIG-IAGOWNOFSA-N 2 2 325.497 1.866 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](CC[C@@H]2CCc3ccccc32)C1 ZINC001031258175 696064774 /nfs/dbraw/zinc/06/47/74/696064774.db2.gz FWSHETPGPDOFGA-INIZCTEOSA-N 2 2 338.455 1.883 20 0 EDADLP CCc1nocc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993610844 696257645 /nfs/dbraw/zinc/25/76/45/696257645.db2.gz GVUZZZMUMMNKSU-RHSMWYFYSA-N 2 2 345.447 1.911 20 0 EDADLP CCc1nocc1C[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993610844 696257646 /nfs/dbraw/zinc/25/76/46/696257646.db2.gz GVUZZZMUMMNKSU-RHSMWYFYSA-N 2 2 345.447 1.911 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2snnc2C)[C@H]1C ZINC000993622049 696263858 /nfs/dbraw/zinc/26/38/58/696263858.db2.gz NFQYRLDQZIDCFI-UONOGXRCSA-N 2 2 348.476 1.521 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2snnc2C)[C@H]1C ZINC000993622049 696263860 /nfs/dbraw/zinc/26/38/60/696263860.db2.gz NFQYRLDQZIDCFI-UONOGXRCSA-N 2 2 348.476 1.521 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CC(=O)N(C)C)[C@@H]1C ZINC000993904985 696453546 /nfs/dbraw/zinc/45/35/46/696453546.db2.gz OJYXGLIZPGMJLJ-CABCVRRESA-N 2 2 349.479 1.064 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(C)C)[C@@H]1C ZINC000993904985 696453547 /nfs/dbraw/zinc/45/35/47/696453547.db2.gz OJYXGLIZPGMJLJ-CABCVRRESA-N 2 2 349.479 1.064 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CC(=O)N(C)C)[C@H]1C ZINC000993904992 696453857 /nfs/dbraw/zinc/45/38/57/696453857.db2.gz OJYXGLIZPGMJLJ-LSDHHAIUSA-N 2 2 349.479 1.064 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N(C)C)[C@H]1C ZINC000993904992 696453858 /nfs/dbraw/zinc/45/38/58/696453858.db2.gz OJYXGLIZPGMJLJ-LSDHHAIUSA-N 2 2 349.479 1.064 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994208838 696582332 /nfs/dbraw/zinc/58/23/32/696582332.db2.gz MUHQYPZWHVVMRP-GUYCJALGSA-N 2 2 345.447 1.737 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994208838 696582334 /nfs/dbraw/zinc/58/23/34/696582334.db2.gz MUHQYPZWHVVMRP-GUYCJALGSA-N 2 2 345.447 1.737 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001015707257 696614845 /nfs/dbraw/zinc/61/48/45/696614845.db2.gz UZRQVHXZDMSWPX-UKRRQHHQSA-N 2 2 339.871 1.211 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001015707257 696614847 /nfs/dbraw/zinc/61/48/47/696614847.db2.gz UZRQVHXZDMSWPX-UKRRQHHQSA-N 2 2 339.871 1.211 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001015707257 696614850 /nfs/dbraw/zinc/61/48/50/696614850.db2.gz UZRQVHXZDMSWPX-UKRRQHHQSA-N 2 2 339.871 1.211 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001015707257 696614852 /nfs/dbraw/zinc/61/48/52/696614852.db2.gz UZRQVHXZDMSWPX-UKRRQHHQSA-N 2 2 339.871 1.211 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)nn1C ZINC000994246412 696627137 /nfs/dbraw/zinc/62/71/37/696627137.db2.gz BGNOZCJFJXTRFS-NVXWUHKLSA-N 2 2 345.491 1.293 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)nn1C ZINC000994246412 696627139 /nfs/dbraw/zinc/62/71/39/696627139.db2.gz BGNOZCJFJXTRFS-NVXWUHKLSA-N 2 2 345.491 1.293 20 0 EDADLP CCc1ccc(C[N@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)cc1 ZINC000917063240 696902236 /nfs/dbraw/zinc/90/22/36/696902236.db2.gz AUFJWZLHIIXWGN-UHFFFAOYSA-N 2 2 344.459 1.655 20 0 EDADLP CCc1ccc(C[N@@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)cc1 ZINC000917063240 696902238 /nfs/dbraw/zinc/90/22/38/696902238.db2.gz AUFJWZLHIIXWGN-UHFFFAOYSA-N 2 2 344.459 1.655 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000994512414 696957070 /nfs/dbraw/zinc/95/70/70/696957070.db2.gz YVFWVEPPCDDETH-JSGCOSHPSA-N 2 2 326.391 1.898 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CC1CC(F)(F)C1 ZINC000994512414 696957072 /nfs/dbraw/zinc/95/70/72/696957072.db2.gz YVFWVEPPCDDETH-JSGCOSHPSA-N 2 2 326.391 1.898 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994513079 696958263 /nfs/dbraw/zinc/95/82/63/696958263.db2.gz YWLMXRPLLOHPDT-GOEBONIOSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994513079 696958265 /nfs/dbraw/zinc/95/82/65/696958265.db2.gz YWLMXRPLLOHPDT-GOEBONIOSA-N 2 2 330.436 1.094 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001031383395 697001578 /nfs/dbraw/zinc/00/15/78/697001578.db2.gz AOQZAMWNXYWMHA-HNNXBMFYSA-N 2 2 329.444 1.011 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001031383395 697001580 /nfs/dbraw/zinc/00/15/80/697001580.db2.gz AOQZAMWNXYWMHA-HNNXBMFYSA-N 2 2 329.444 1.011 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC001031391992 697020021 /nfs/dbraw/zinc/02/00/21/697020021.db2.gz QPSFSQVAJWVKGG-KSSFIOAISA-N 2 2 342.443 1.157 20 0 EDADLP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001031438259 697105415 /nfs/dbraw/zinc/10/54/15/697105415.db2.gz YZRGTFGIIHQUJD-QGZVFWFLSA-N 2 2 331.460 1.731 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000995033413 700151070 /nfs/dbraw/zinc/15/10/70/700151070.db2.gz AGBIRHWLSVCLHO-LSDHHAIUSA-N 2 2 331.420 1.563 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2C[NH+](CC3CCC3)C2)[nH]n1 ZINC001031685793 697515994 /nfs/dbraw/zinc/51/59/94/697515994.db2.gz FJSVDRMXSFTBJJ-QGZVFWFLSA-N 2 2 331.464 1.638 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2C[NH+](CC3CCC3)C2)[nH]n1 ZINC001031685793 697515995 /nfs/dbraw/zinc/51/59/95/697515995.db2.gz FJSVDRMXSFTBJJ-QGZVFWFLSA-N 2 2 331.464 1.638 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)on1 ZINC001031728787 698035020 /nfs/dbraw/zinc/03/50/20/698035020.db2.gz AMCOWZZDCSYILN-INIZCTEOSA-N 2 2 334.464 1.509 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)on1 ZINC001031728787 698035021 /nfs/dbraw/zinc/03/50/21/698035021.db2.gz AMCOWZZDCSYILN-INIZCTEOSA-N 2 2 334.464 1.509 20 0 EDADLP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@H]3CCCc4[nH+]ccn43)C2)o1 ZINC001031732088 698120145 /nfs/dbraw/zinc/12/01/45/698120145.db2.gz SUOLDZMUCNFVQI-OAHLLOKOSA-N 2 2 343.431 1.614 20 0 EDADLP CC(C)=CC[NH+]1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001032098424 698700359 /nfs/dbraw/zinc/70/03/59/698700359.db2.gz QPBQQSFPSMGWSN-UHFFFAOYSA-N 2 2 325.416 1.895 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](C)C2)o1 ZINC000943756154 698830408 /nfs/dbraw/zinc/83/04/08/698830408.db2.gz LZQGCUPCYUAJGG-GOEBONIOSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](C)C2)o1 ZINC000943756154 698830412 /nfs/dbraw/zinc/83/04/12/698830412.db2.gz LZQGCUPCYUAJGG-GOEBONIOSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995153843 701554820 /nfs/dbraw/zinc/55/48/20/701554820.db2.gz QOJKDQAXRAWOSU-CABCVRRESA-N 2 2 327.432 1.730 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)on1 ZINC001031767007 699068399 /nfs/dbraw/zinc/06/83/99/699068399.db2.gz POXIHJUTTDXIAX-GDBMZVCRSA-N 2 2 348.447 1.248 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)on1 ZINC001031767007 699068401 /nfs/dbraw/zinc/06/84/01/699068401.db2.gz POXIHJUTTDXIAX-GDBMZVCRSA-N 2 2 348.447 1.248 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)o1 ZINC001031767595 699076453 /nfs/dbraw/zinc/07/64/53/699076453.db2.gz XLFXVEHIIOUHIN-RDJZCZTQSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)o1 ZINC001031767595 699076457 /nfs/dbraw/zinc/07/64/57/699076457.db2.gz XLFXVEHIIOUHIN-RDJZCZTQSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)o1 ZINC001031767593 699076545 /nfs/dbraw/zinc/07/65/45/699076545.db2.gz XLFXVEHIIOUHIN-DOTOQJQBSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)o1 ZINC001031767593 699076548 /nfs/dbraw/zinc/07/65/48/699076548.db2.gz XLFXVEHIIOUHIN-DOTOQJQBSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995160749 701575067 /nfs/dbraw/zinc/57/50/67/701575067.db2.gz NGIOWDRBMZCQME-HUUCEWRRSA-N 2 2 345.447 1.642 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1C[NH+](CC[C@@H]3CCCO3)C1)C2 ZINC001031787112 699241532 /nfs/dbraw/zinc/24/15/32/699241532.db2.gz BBSQAAYEFXXTOU-HOTGVXAUSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1C[NH+](CC[C@@H]3CCCO3)C1)CC2 ZINC001031787112 699241535 /nfs/dbraw/zinc/24/15/35/699241535.db2.gz BBSQAAYEFXXTOU-HOTGVXAUSA-N 2 2 346.475 1.440 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1 ZINC000939217028 699389610 /nfs/dbraw/zinc/38/96/10/699389610.db2.gz ZOHZJXVLTMHJNP-CXAGYDPISA-N 2 2 328.416 1.598 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)oc1C ZINC000939394450 699544714 /nfs/dbraw/zinc/54/47/14/699544714.db2.gz BWCFNHORTCPSAK-WMLDXEAASA-N 2 2 348.491 1.960 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)o1 ZINC000939399084 699548159 /nfs/dbraw/zinc/54/81/59/699548159.db2.gz VPULOFLKDFILNY-HOCLYGCPSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939411417 699565070 /nfs/dbraw/zinc/56/50/70/699565070.db2.gz DFQMRKZEIWUBLT-YGRLFVJLSA-N 2 2 333.461 1.662 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)c1 ZINC000939414280 699567374 /nfs/dbraw/zinc/56/73/74/699567374.db2.gz WSQMLYCOCDKRCY-XJKSGUPXSA-N 2 2 328.416 1.598 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939535894 699676751 /nfs/dbraw/zinc/67/67/51/699676751.db2.gz SLJVHCVWLSZPJS-BZNIZROVSA-N 2 2 331.420 1.204 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939535896 699677173 /nfs/dbraw/zinc/67/71/73/699677173.db2.gz SLJVHCVWLSZPJS-ZBEGNZNMSA-N 2 2 331.420 1.204 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000939550271 699699258 /nfs/dbraw/zinc/69/92/58/699699258.db2.gz HUZYYHBKXNBPAP-BLLLJJGKSA-N 2 2 343.431 1.694 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000939621864 699758634 /nfs/dbraw/zinc/75/86/34/699758634.db2.gz FOQIFLQPEXPOCI-SJKOYZFVSA-N 2 2 342.447 1.040 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)on1 ZINC000939642143 699771578 /nfs/dbraw/zinc/77/15/78/699771578.db2.gz ICZLIRUGFFJLLB-BLLLJJGKSA-N 2 2 331.420 1.286 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccns1 ZINC000939642372 699771890 /nfs/dbraw/zinc/77/18/90/699771890.db2.gz JRYMUYFZTLCQTC-IUODEOHRSA-N 2 2 333.461 1.446 20 0 EDADLP CC(C)Cc1noc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)n1 ZINC000939757059 699923680 /nfs/dbraw/zinc/92/36/80/699923680.db2.gz XCRLSQKOWJIIAL-GJZGRUSLSA-N 2 2 349.479 1.300 20 0 EDADLP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000940183994 700340916 /nfs/dbraw/zinc/34/09/16/700340916.db2.gz XDCOWLYLCQUNLD-AWEZNQCLSA-N 2 2 343.431 1.604 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1)n1cc[nH+]c1 ZINC000940358172 700539632 /nfs/dbraw/zinc/53/96/32/700539632.db2.gz QHZOASFGFBOUGT-AWEZNQCLSA-N 2 2 345.451 1.134 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031967969 701655964 /nfs/dbraw/zinc/65/59/64/701655964.db2.gz KEPQOJWVPJHKJJ-GOEBONIOSA-N 2 2 346.475 1.694 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995167998 701657664 /nfs/dbraw/zinc/65/76/64/701657664.db2.gz LEESEYUMFGFDRB-CJNGLKHVSA-N 2 2 345.422 1.571 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000940442100 700643697 /nfs/dbraw/zinc/64/36/97/700643697.db2.gz ZLFILXDGOSDQGX-UHFFFAOYSA-N 2 2 344.463 1.473 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000940785026 700895535 /nfs/dbraw/zinc/89/55/35/700895535.db2.gz GHEXXLLKRXVADV-HOTGVXAUSA-N 2 2 349.479 1.661 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000940785026 700895537 /nfs/dbraw/zinc/89/55/37/700895537.db2.gz GHEXXLLKRXVADV-HOTGVXAUSA-N 2 2 349.479 1.661 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000940785026 700895539 /nfs/dbraw/zinc/89/55/39/700895539.db2.gz GHEXXLLKRXVADV-HOTGVXAUSA-N 2 2 349.479 1.661 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000940785026 700895541 /nfs/dbraw/zinc/89/55/41/700895541.db2.gz GHEXXLLKRXVADV-HOTGVXAUSA-N 2 2 349.479 1.661 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cn(C)nn2)CC1(C)C ZINC000941032605 701074327 /nfs/dbraw/zinc/07/43/27/701074327.db2.gz IVGROEYQDMMCMU-GOEBONIOSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cn(C)nn2)CC1(C)C ZINC000941032605 701074328 /nfs/dbraw/zinc/07/43/28/701074328.db2.gz IVGROEYQDMMCMU-GOEBONIOSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nn2)CC1(C)C ZINC000941032605 701074330 /nfs/dbraw/zinc/07/43/30/701074330.db2.gz IVGROEYQDMMCMU-GOEBONIOSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nn2)CC1(C)C ZINC000941032605 701074332 /nfs/dbraw/zinc/07/43/32/701074332.db2.gz IVGROEYQDMMCMU-GOEBONIOSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995119300 701104905 /nfs/dbraw/zinc/10/49/05/701104905.db2.gz WRADUGLKPMFXMH-GOEBONIOSA-N 2 2 327.432 1.730 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031925852 701128913 /nfs/dbraw/zinc/12/89/13/701128913.db2.gz PXXQGHKLTVXBJB-BBRMVZONSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031925852 701128917 /nfs/dbraw/zinc/12/89/17/701128917.db2.gz PXXQGHKLTVXBJB-BBRMVZONSA-N 2 2 331.464 1.063 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cn1 ZINC000945806762 701196705 /nfs/dbraw/zinc/19/67/05/701196705.db2.gz FMOJOFDWHWPMKP-GDBMZVCRSA-N 2 2 343.431 1.314 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cn1 ZINC000945806762 701196706 /nfs/dbraw/zinc/19/67/06/701196706.db2.gz FMOJOFDWHWPMKP-GDBMZVCRSA-N 2 2 343.431 1.314 20 0 EDADLP C[C@H]1C[N@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810933 701203905 /nfs/dbraw/zinc/20/39/05/701203905.db2.gz ZEIUTPRGDABMJO-XJKSGUPXSA-N 2 2 331.395 1.444 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810933 701203906 /nfs/dbraw/zinc/20/39/06/701203906.db2.gz ZEIUTPRGDABMJO-XJKSGUPXSA-N 2 2 331.395 1.444 20 0 EDADLP Cc1cccnc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945810893 701203962 /nfs/dbraw/zinc/20/39/62/701203962.db2.gz YPJVDKNEAMQOIJ-JKSUJKDBSA-N 2 2 327.432 1.613 20 0 EDADLP Cc1cccnc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945810893 701203963 /nfs/dbraw/zinc/20/39/63/701203963.db2.gz YPJVDKNEAMQOIJ-JKSUJKDBSA-N 2 2 327.432 1.613 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941165754 701376849 /nfs/dbraw/zinc/37/68/49/701376849.db2.gz CAISHKVDBORGNG-HNNXBMFYSA-N 2 2 347.463 1.191 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941165754 701376850 /nfs/dbraw/zinc/37/68/50/701376850.db2.gz CAISHKVDBORGNG-HNNXBMFYSA-N 2 2 347.463 1.191 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941166346 701377293 /nfs/dbraw/zinc/37/72/93/701377293.db2.gz GHICPKRRKRHFCR-DOTOQJQBSA-N 2 2 348.491 1.606 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941166346 701377294 /nfs/dbraw/zinc/37/72/94/701377294.db2.gz GHICPKRRKRHFCR-DOTOQJQBSA-N 2 2 348.491 1.606 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)sn1 ZINC001031948086 701522579 /nfs/dbraw/zinc/52/25/79/701522579.db2.gz RDYFPSXNVLLBDF-UHFFFAOYSA-N 2 2 338.477 1.042 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000995148852 701539408 /nfs/dbraw/zinc/53/94/08/701539408.db2.gz BUIJVRXESBGPSG-KGLIPLIRSA-N 2 2 328.420 1.125 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC000941463966 701545441 /nfs/dbraw/zinc/54/54/41/701545441.db2.gz CNRAERQQBVLLKJ-INIZCTEOSA-N 2 2 345.491 1.074 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031977374 702018591 /nfs/dbraw/zinc/01/85/91/702018591.db2.gz YQWVYDJYPSIEPZ-WBMJQRKESA-N 2 2 332.448 1.298 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031977374 702018596 /nfs/dbraw/zinc/01/85/96/702018596.db2.gz YQWVYDJYPSIEPZ-WBMJQRKESA-N 2 2 332.448 1.298 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCOCC2)C[C@H]1C ZINC000944445911 702033515 /nfs/dbraw/zinc/03/35/15/702033515.db2.gz QORAILDYQNHFCK-RHSMWYFYSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCC2CCOCC2)C[C@H]1C ZINC000944445911 702033518 /nfs/dbraw/zinc/03/35/18/702033518.db2.gz QORAILDYQNHFCK-RHSMWYFYSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995827278 702100644 /nfs/dbraw/zinc/10/06/44/702100644.db2.gz UCWQXRVIIDUEJR-BNOWGMLFSA-N 2 2 335.452 1.045 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995827278 702100645 /nfs/dbraw/zinc/10/06/45/702100645.db2.gz UCWQXRVIIDUEJR-BNOWGMLFSA-N 2 2 335.452 1.045 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995188416 702217179 /nfs/dbraw/zinc/21/71/79/702217179.db2.gz WCCJEOFKNSMLCK-QWHCGFSZSA-N 2 2 348.476 1.495 20 0 EDADLP C[C@H]1C[N@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097231 702262096 /nfs/dbraw/zinc/26/20/96/702262096.db2.gz FGFGYJZUVZUAEU-MAUKXSAKSA-N 2 2 348.491 1.606 20 0 EDADLP C[C@H]1C[N@@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097231 702262099 /nfs/dbraw/zinc/26/20/99/702262099.db2.gz FGFGYJZUVZUAEU-MAUKXSAKSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2(C)C)n1 ZINC000996195191 702622132 /nfs/dbraw/zinc/62/21/32/702622132.db2.gz JFKFFIRKQYDDCY-AEGPPILISA-N 2 2 349.479 1.435 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2(C)C)n1 ZINC000996195191 702622134 /nfs/dbraw/zinc/62/21/34/702622134.db2.gz JFKFFIRKQYDDCY-AEGPPILISA-N 2 2 349.479 1.435 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000996356294 702733635 /nfs/dbraw/zinc/73/36/35/702733635.db2.gz RNOUFTBJGWEHOZ-ZDUSSCGKSA-N 2 2 326.391 1.824 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000996454952 702799641 /nfs/dbraw/zinc/79/96/41/702799641.db2.gz DQISIOBUMGKHAJ-CVEARBPZSA-N 2 2 342.443 1.512 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1 ZINC000996515942 702851352 /nfs/dbraw/zinc/85/13/52/702851352.db2.gz WPCFGJWUJJRRIN-ZBFHGGJFSA-N 2 2 334.464 1.216 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996522356 702858136 /nfs/dbraw/zinc/85/81/36/702858136.db2.gz YSMDKQCHILFWAB-GXTWGEPZSA-N 2 2 337.493 1.207 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996522356 702858138 /nfs/dbraw/zinc/85/81/38/702858138.db2.gz YSMDKQCHILFWAB-GXTWGEPZSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2ncccc2C)C(C)(C)C1 ZINC000996559750 702878014 /nfs/dbraw/zinc/87/80/14/702878014.db2.gz AWTMFHIHFIQRNT-QGZVFWFLSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+][C@H](C)c2cnccn2)C(C)(C)C1 ZINC000996565059 702886581 /nfs/dbraw/zinc/88/65/81/702886581.db2.gz WQWLIZJFODEVAN-CJNGLKHVSA-N 2 2 342.447 1.638 20 0 EDADLP CC(C)c1noc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995255823 703000685 /nfs/dbraw/zinc/00/06/85/703000685.db2.gz XXMKKRGFFPAMOQ-KBPBESRZSA-N 2 2 346.435 1.464 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)o1 ZINC000996711927 703006952 /nfs/dbraw/zinc/00/69/52/703006952.db2.gz COJFMAUTUMNNNT-HNNXBMFYSA-N 2 2 331.420 1.515 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)n1 ZINC000942517664 703010911 /nfs/dbraw/zinc/01/09/11/703010911.db2.gz DMVGNAICEBCXFU-WMLDXEAASA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)n1 ZINC000942517664 703010914 /nfs/dbraw/zinc/01/09/14/703010914.db2.gz DMVGNAICEBCXFU-WMLDXEAASA-N 2 2 344.463 1.435 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccns2)C[C@@H]1C ZINC000942517850 703011865 /nfs/dbraw/zinc/01/18/65/703011865.db2.gz HPZFUCFGWNYGAP-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccns2)C[C@@H]1C ZINC000942517850 703011866 /nfs/dbraw/zinc/01/18/66/703011866.db2.gz HPZFUCFGWNYGAP-SWLSCSKDSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C[C@@H]1C ZINC000942518298 703012478 /nfs/dbraw/zinc/01/24/78/703012478.db2.gz PLJNJVIWVWZPIN-GUYCJALGSA-N 2 2 344.463 1.260 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C[C@@H]1C ZINC000942518298 703012481 /nfs/dbraw/zinc/01/24/81/703012481.db2.gz PLJNJVIWVWZPIN-GUYCJALGSA-N 2 2 344.463 1.260 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996716082 703014869 /nfs/dbraw/zinc/01/48/69/703014869.db2.gz KDKWFWMYWVHRNU-UHFFFAOYSA-N 2 2 346.456 1.870 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555877 703069926 /nfs/dbraw/zinc/06/99/26/703069926.db2.gz RBVGGRMWCJAWBS-HUUCEWRRSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555877 703069929 /nfs/dbraw/zinc/06/99/29/703069929.db2.gz RBVGGRMWCJAWBS-HUUCEWRRSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC000996797694 703089862 /nfs/dbraw/zinc/08/98/62/703089862.db2.gz IOPYQYYGDRKDDI-CQSZACIVSA-N 2 2 331.420 1.830 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@H+](C)CCO2)c(C)c1 ZINC001032331741 703112921 /nfs/dbraw/zinc/11/29/21/703112921.db2.gz JJRWUHNGVUWNQO-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC001032331741 703112924 /nfs/dbraw/zinc/11/29/24/703112924.db2.gz JJRWUHNGVUWNQO-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)c(C)c1 ZINC001032331741 703112926 /nfs/dbraw/zinc/11/29/26/703112926.db2.gz JJRWUHNGVUWNQO-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)c(C)c1 ZINC001032331741 703112929 /nfs/dbraw/zinc/11/29/29/703112929.db2.gz JJRWUHNGVUWNQO-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942598178 703113477 /nfs/dbraw/zinc/11/34/77/703113477.db2.gz SMYCCZIWXLLVHJ-IUODEOHRSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942598178 703113479 /nfs/dbraw/zinc/11/34/79/703113479.db2.gz SMYCCZIWXLLVHJ-IUODEOHRSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nccnc1C[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996835087 703122715 /nfs/dbraw/zinc/12/27/15/703122715.db2.gz PRWIJJSNUCNTBN-UHFFFAOYSA-N 2 2 342.447 1.232 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996933213 703202496 /nfs/dbraw/zinc/20/24/96/703202496.db2.gz GJEQRUQFDVFYSY-UHFFFAOYSA-N 2 2 349.460 1.587 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997079832 703318767 /nfs/dbraw/zinc/31/87/67/703318767.db2.gz RCOJRCTUEUDHAR-RHSMWYFYSA-N 2 2 349.479 1.659 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997079832 703318769 /nfs/dbraw/zinc/31/87/69/703318769.db2.gz RCOJRCTUEUDHAR-RHSMWYFYSA-N 2 2 349.479 1.659 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823205 703331726 /nfs/dbraw/zinc/33/17/26/703331726.db2.gz SOCMSZBUKUSGNV-GOEBONIOSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823205 703331729 /nfs/dbraw/zinc/33/17/29/703331729.db2.gz SOCMSZBUKUSGNV-GOEBONIOSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@H]1C[NH+](Cc2ccon2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942823205 703331731 /nfs/dbraw/zinc/33/17/31/703331731.db2.gz SOCMSZBUKUSGNV-GOEBONIOSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@H]1C[NH+](Cc2ccon2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942823205 703331732 /nfs/dbraw/zinc/33/17/32/703331732.db2.gz SOCMSZBUKUSGNV-GOEBONIOSA-N 2 2 334.464 1.733 20 0 EDADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(F)(F)F ZINC001032407837 703433416 /nfs/dbraw/zinc/43/34/16/703433416.db2.gz PDGNOTSZADNTDO-MELADBBJSA-N 2 2 331.382 1.566 20 0 EDADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(F)(F)F ZINC001032407837 703433417 /nfs/dbraw/zinc/43/34/17/703433417.db2.gz PDGNOTSZADNTDO-MELADBBJSA-N 2 2 331.382 1.566 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997181241 703471799 /nfs/dbraw/zinc/47/17/99/703471799.db2.gz XWZZGXSFWTWTKO-UHFFFAOYSA-N 2 2 342.443 1.236 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC2)n[nH]1 ZINC001032415509 703492396 /nfs/dbraw/zinc/49/23/96/703492396.db2.gz AHQRGPABCASIRK-MPGHIAIKSA-N 2 2 343.475 1.875 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC2)n[nH]1 ZINC001032415509 703492398 /nfs/dbraw/zinc/49/23/98/703492398.db2.gz AHQRGPABCASIRK-MPGHIAIKSA-N 2 2 343.475 1.875 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC2)n[nH]1 ZINC001032415509 703492399 /nfs/dbraw/zinc/49/23/99/703492399.db2.gz AHQRGPABCASIRK-MPGHIAIKSA-N 2 2 343.475 1.875 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC2)n[nH]1 ZINC001032415509 703492401 /nfs/dbraw/zinc/49/24/01/703492401.db2.gz AHQRGPABCASIRK-MPGHIAIKSA-N 2 2 343.475 1.875 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)s1 ZINC000997220573 703498827 /nfs/dbraw/zinc/49/88/27/703498827.db2.gz CNNALMJZYOLEPS-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)nn1C ZINC000997221684 703499611 /nfs/dbraw/zinc/49/96/11/703499611.db2.gz MXQPSRXTFKRKEN-UHFFFAOYSA-N 2 2 330.436 1.083 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1)C1CC1 ZINC001032445761 703614708 /nfs/dbraw/zinc/61/47/08/703614708.db2.gz PXHZHDRJOTUGQX-DZKIICNBSA-N 2 2 334.489 1.311 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1)C1CC1 ZINC001032445761 703614709 /nfs/dbraw/zinc/61/47/09/703614709.db2.gz PXHZHDRJOTUGQX-DZKIICNBSA-N 2 2 334.489 1.311 20 0 EDADLP CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)n1c[nH+]c(C)c1)OC ZINC001032469229 703675769 /nfs/dbraw/zinc/67/57/69/703675769.db2.gz BXQUYAOEZCAVEM-HRCADAONSA-N 2 2 334.464 1.637 20 0 EDADLP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)n1c[nH+]c(C)c1)OC ZINC001032469229 703675770 /nfs/dbraw/zinc/67/57/70/703675770.db2.gz BXQUYAOEZCAVEM-HRCADAONSA-N 2 2 334.464 1.637 20 0 EDADLP CC[C@@H](C[NH+]1CCN(C(=O)c2sccc2C[NH+](C)C)CC1)OC ZINC000948604725 703852309 /nfs/dbraw/zinc/85/23/09/703852309.db2.gz XLHVYHAMUOULRD-HNNXBMFYSA-N 2 2 339.505 1.993 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccn(CC)n3)C2)CC[N@@H+]1C ZINC001033100479 704217933 /nfs/dbraw/zinc/21/79/33/704217933.db2.gz ZZKFMTXDEZEDGD-OKZBNKHCSA-N 2 2 347.507 1.666 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccn(CC)n3)C2)CC[N@H+]1C ZINC001033100479 704217935 /nfs/dbraw/zinc/21/79/35/704217935.db2.gz ZZKFMTXDEZEDGD-OKZBNKHCSA-N 2 2 347.507 1.666 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccn(CC)n3)C2)CC[NH+]1C ZINC001033100479 704217937 /nfs/dbraw/zinc/21/79/37/704217937.db2.gz ZZKFMTXDEZEDGD-OKZBNKHCSA-N 2 2 347.507 1.666 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccn(CC)n3)C2)CC[NH+]1C ZINC001033100479 704217939 /nfs/dbraw/zinc/21/79/39/704217939.db2.gz ZZKFMTXDEZEDGD-OKZBNKHCSA-N 2 2 347.507 1.666 20 0 EDADLP Cc1oncc1C[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000997732142 704623721 /nfs/dbraw/zinc/62/37/21/704623721.db2.gz CHZKCFZRAMHODP-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP Cn1ccc(C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC000997818860 704739925 /nfs/dbraw/zinc/73/99/25/704739925.db2.gz YQCLYDAQDCJTRQ-UHFFFAOYSA-N 2 2 330.436 1.104 20 0 EDADLP Cn1ccc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)n1 ZINC000997818860 704739926 /nfs/dbraw/zinc/73/99/26/704739926.db2.gz YQCLYDAQDCJTRQ-UHFFFAOYSA-N 2 2 330.436 1.104 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)C[C@@H]1C ZINC000944964168 704831840 /nfs/dbraw/zinc/83/18/40/704831840.db2.gz GVMVGMCJZOGOMC-BBRMVZONSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)C[C@@H]1C ZINC000944964168 704831846 /nfs/dbraw/zinc/83/18/46/704831846.db2.gz GVMVGMCJZOGOMC-BBRMVZONSA-N 2 2 342.447 1.317 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965361 704836131 /nfs/dbraw/zinc/83/61/31/704836131.db2.gz RIFDGOZVUGBLST-GOEBONIOSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944965361 704836137 /nfs/dbraw/zinc/83/61/37/704836137.db2.gz RIFDGOZVUGBLST-GOEBONIOSA-N 2 2 344.463 1.435 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)CCc3[nH+]ccn3C)CC2)o1 ZINC000997931549 705028467 /nfs/dbraw/zinc/02/84/67/705028467.db2.gz ZUYWAWOSUUHYEG-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000997951651 705070245 /nfs/dbraw/zinc/07/02/45/705070245.db2.gz IRIFZKYXNHHCGY-UHFFFAOYSA-N 2 2 345.447 1.906 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997953120 705081415 /nfs/dbraw/zinc/08/14/15/705081415.db2.gz RUMQOYGKAQWVFI-UHFFFAOYSA-N 2 2 345.422 1.836 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001032587095 705107475 /nfs/dbraw/zinc/10/74/75/705107475.db2.gz LUSZLMXCQYWYNF-WNHJNPCNSA-N 2 2 342.487 1.905 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001032587095 705107478 /nfs/dbraw/zinc/10/74/78/705107478.db2.gz LUSZLMXCQYWYNF-WNHJNPCNSA-N 2 2 342.487 1.905 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001032587095 705107481 /nfs/dbraw/zinc/10/74/81/705107481.db2.gz LUSZLMXCQYWYNF-WNHJNPCNSA-N 2 2 342.487 1.905 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001032587095 705107485 /nfs/dbraw/zinc/10/74/85/705107485.db2.gz LUSZLMXCQYWYNF-WNHJNPCNSA-N 2 2 342.487 1.905 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998043332 705238355 /nfs/dbraw/zinc/23/83/55/705238355.db2.gz XXKDWOSZBABRFJ-BZUAXINKSA-N 2 2 334.464 1.863 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998043332 705238358 /nfs/dbraw/zinc/23/83/58/705238358.db2.gz XXKDWOSZBABRFJ-BZUAXINKSA-N 2 2 334.464 1.863 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998043332 705238362 /nfs/dbraw/zinc/23/83/62/705238362.db2.gz XXKDWOSZBABRFJ-BZUAXINKSA-N 2 2 334.464 1.863 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998043332 705238366 /nfs/dbraw/zinc/23/83/66/705238366.db2.gz XXKDWOSZBABRFJ-BZUAXINKSA-N 2 2 334.464 1.863 20 0 EDADLP CCN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998065988 705278496 /nfs/dbraw/zinc/27/84/96/705278496.db2.gz ZUUPBLBFKZSTJY-OAHLLOKOSA-N 2 2 330.432 1.643 20 0 EDADLP CCN(C(=O)c1cccc2[nH+]ccn21)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998065988 705278498 /nfs/dbraw/zinc/27/84/98/705278498.db2.gz ZUUPBLBFKZSTJY-OAHLLOKOSA-N 2 2 330.432 1.643 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]Cc2csnn2)CC1)n1cc[nH+]c1 ZINC000998127606 705390013 /nfs/dbraw/zinc/39/00/13/705390013.db2.gz ROONTZHURQKKSU-ZDUSSCGKSA-N 2 2 348.476 1.714 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998137833 705402936 /nfs/dbraw/zinc/40/29/36/705402936.db2.gz AMUFTEUFEMBYQF-LBPRGKRZSA-N 2 2 348.476 1.468 20 0 EDADLP Cn1cncc1C[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000998252849 705607704 /nfs/dbraw/zinc/60/77/04/705607704.db2.gz CARMAYQLBUKXEM-UHFFFAOYSA-N 2 2 344.463 1.115 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC000998273646 705653691 /nfs/dbraw/zinc/65/36/91/705653691.db2.gz BYSNDXVKICOYRS-NEPJUHHUSA-N 2 2 336.333 1.612 20 0 EDADLP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000998297951 705701406 /nfs/dbraw/zinc/70/14/06/705701406.db2.gz RDNQEORRTJFXEW-UHFFFAOYSA-N 2 2 331.420 1.516 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC000998298394 705701866 /nfs/dbraw/zinc/70/18/66/705701866.db2.gz XHKDVJFXMHOCIM-UHFFFAOYSA-N 2 2 328.420 1.010 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccc(F)cc1)[NH+](C)C ZINC001032633646 705861793 /nfs/dbraw/zinc/86/17/93/705861793.db2.gz SQEWRKGEROLLSN-BQFCYCMXSA-N 2 2 349.450 1.830 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000998733211 706166251 /nfs/dbraw/zinc/16/62/51/706166251.db2.gz TUUVFPCHEIPEGK-KGLIPLIRSA-N 2 2 349.479 1.542 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000998733211 706166252 /nfs/dbraw/zinc/16/62/52/706166252.db2.gz TUUVFPCHEIPEGK-KGLIPLIRSA-N 2 2 349.479 1.542 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)no1 ZINC000998996273 706413874 /nfs/dbraw/zinc/41/38/74/706413874.db2.gz YJHPEUTYMGFAMG-JXQTWKCFSA-N 2 2 335.452 1.195 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)no1 ZINC000998996273 706413876 /nfs/dbraw/zinc/41/38/76/706413876.db2.gz YJHPEUTYMGFAMG-JXQTWKCFSA-N 2 2 335.452 1.195 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]CCn2cccn2)C1 ZINC000998988475 706420721 /nfs/dbraw/zinc/42/07/21/706420721.db2.gz KNVSEKYDCRLVCF-UHFFFAOYSA-N 2 2 338.415 1.652 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]Cc2cnns2)C1 ZINC000999003650 706443350 /nfs/dbraw/zinc/44/33/50/706443350.db2.gz FZWYZDLVEBIAAW-HIFPTAJRSA-N 2 2 346.460 1.076 20 0 EDADLP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000999034346 706448297 /nfs/dbraw/zinc/44/82/97/706448297.db2.gz CTCGQXNRJPUWPO-AWEZNQCLSA-N 2 2 343.431 1.527 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999143666 706557223 /nfs/dbraw/zinc/55/72/23/706557223.db2.gz HSBKLPRXDTWWNH-DZGCQCFKSA-N 2 2 337.493 1.492 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999143666 706557224 /nfs/dbraw/zinc/55/72/24/706557224.db2.gz HSBKLPRXDTWWNH-DZGCQCFKSA-N 2 2 337.493 1.492 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999372059 706886335 /nfs/dbraw/zinc/88/63/35/706886335.db2.gz NVVJIJDCFNJDJK-HIFRSBDPSA-N 2 2 344.419 1.233 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000999398919 706893693 /nfs/dbraw/zinc/89/36/93/706893693.db2.gz AZQCCXYITXXBPO-LRVUVFPRSA-N 2 2 347.463 1.510 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000999398919 706893695 /nfs/dbraw/zinc/89/36/95/706893695.db2.gz AZQCCXYITXXBPO-LRVUVFPRSA-N 2 2 347.463 1.510 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC000999469396 706978362 /nfs/dbraw/zinc/97/83/62/706978362.db2.gz MFFFRMHHURMXLY-UHFFFAOYSA-N 2 2 333.461 1.805 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999510770 707009343 /nfs/dbraw/zinc/00/93/43/707009343.db2.gz LZWJWXQRGNOGAA-HUUCEWRRSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999510770 707009344 /nfs/dbraw/zinc/00/93/44/707009344.db2.gz LZWJWXQRGNOGAA-HUUCEWRRSA-N 2 2 349.479 1.758 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000999535724 707036168 /nfs/dbraw/zinc/03/61/68/707036168.db2.gz LMNAEYVEJMEJOH-KBPBESRZSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000999536232 707036251 /nfs/dbraw/zinc/03/62/51/707036251.db2.gz MIYINSNHUPPRDM-UONOGXRCSA-N 2 2 345.472 1.683 20 0 EDADLP CCc1nc(NC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)cc(C)[nH+]1 ZINC001060881096 707039860 /nfs/dbraw/zinc/03/98/60/707039860.db2.gz TXUYYIOMCDTGRX-OAHLLOKOSA-N 2 2 342.447 1.813 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)cs1 ZINC000999725591 707267309 /nfs/dbraw/zinc/26/73/09/707267309.db2.gz MKKGNWXWUYQATE-AWEZNQCLSA-N 2 2 347.488 1.991 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033267108 707296345 /nfs/dbraw/zinc/29/63/45/707296345.db2.gz TYWIFQVHGUWVNS-OAHLLOKOSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033267108 707296346 /nfs/dbraw/zinc/29/63/46/707296346.db2.gz TYWIFQVHGUWVNS-OAHLLOKOSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999775149 707334542 /nfs/dbraw/zinc/33/45/42/707334542.db2.gz JSTMCBVKDXRENK-AWEZNQCLSA-N 2 2 331.420 1.430 20 0 EDADLP COc1cc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)ccn1 ZINC000999746539 707346528 /nfs/dbraw/zinc/34/65/28/707346528.db2.gz IDIDNUAPHBHFRX-UHFFFAOYSA-N 2 2 343.431 1.443 20 0 EDADLP CC[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1)OC ZINC001033184445 707364656 /nfs/dbraw/zinc/36/46/56/707364656.db2.gz ALCSUKHAGKKLFI-JKSUJKDBSA-N 2 2 336.480 1.884 20 0 EDADLP CC[C@H](C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1)OC ZINC001033184445 707364663 /nfs/dbraw/zinc/36/46/63/707364663.db2.gz ALCSUKHAGKKLFI-JKSUJKDBSA-N 2 2 336.480 1.884 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033298086 707435797 /nfs/dbraw/zinc/43/57/97/707435797.db2.gz ZQBYLGCWMVQAHB-OALUTQOASA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033298086 707435798 /nfs/dbraw/zinc/43/57/98/707435798.db2.gz ZQBYLGCWMVQAHB-OALUTQOASA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033298086 707435801 /nfs/dbraw/zinc/43/58/01/707435801.db2.gz ZQBYLGCWMVQAHB-OALUTQOASA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033298086 707435803 /nfs/dbraw/zinc/43/58/03/707435803.db2.gz ZQBYLGCWMVQAHB-OALUTQOASA-N 2 2 349.519 1.820 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033199459 707448717 /nfs/dbraw/zinc/44/87/17/707448717.db2.gz UDZILIYAPCRMED-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033199459 707448719 /nfs/dbraw/zinc/44/87/19/707448719.db2.gz UDZILIYAPCRMED-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001033199459 707448722 /nfs/dbraw/zinc/44/87/22/707448722.db2.gz UDZILIYAPCRMED-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001033199459 707448723 /nfs/dbraw/zinc/44/87/23/707448723.db2.gz UDZILIYAPCRMED-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803752 707467199 /nfs/dbraw/zinc/46/71/99/707467199.db2.gz UGVIBWSJEOYOTO-VQHPVUNQSA-N 2 2 334.464 1.385 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803752 707467202 /nfs/dbraw/zinc/46/72/02/707467202.db2.gz UGVIBWSJEOYOTO-VQHPVUNQSA-N 2 2 334.464 1.385 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033317571 707504630 /nfs/dbraw/zinc/50/46/30/707504630.db2.gz BLEABUAXJSRLQF-HNNXBMFYSA-N 2 2 333.480 1.327 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033317571 707504634 /nfs/dbraw/zinc/50/46/34/707504634.db2.gz BLEABUAXJSRLQF-HNNXBMFYSA-N 2 2 333.480 1.327 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC000999914550 707556329 /nfs/dbraw/zinc/55/63/29/707556329.db2.gz CLISBKRZYJTEAG-UHFFFAOYSA-N 2 2 348.397 1.983 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366132 707661785 /nfs/dbraw/zinc/66/17/85/707661785.db2.gz NNRFKRIBGSMWPI-OAHLLOKOSA-N 2 2 346.431 1.984 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366132 707661786 /nfs/dbraw/zinc/66/17/86/707661786.db2.gz NNRFKRIBGSMWPI-OAHLLOKOSA-N 2 2 346.431 1.984 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366122 707661865 /nfs/dbraw/zinc/66/18/65/707661865.db2.gz NJULXZQGLATSNE-MRXNPFEDSA-N 2 2 346.431 1.984 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366122 707661867 /nfs/dbraw/zinc/66/18/67/707661867.db2.gz NJULXZQGLATSNE-MRXNPFEDSA-N 2 2 346.431 1.984 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999994650 707672873 /nfs/dbraw/zinc/67/28/73/707672873.db2.gz VXKWVISEVLHLIX-HOCLYGCPSA-N 2 2 327.444 1.180 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999994650 707672875 /nfs/dbraw/zinc/67/28/75/707672875.db2.gz VXKWVISEVLHLIX-HOCLYGCPSA-N 2 2 327.444 1.180 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033213028 707707212 /nfs/dbraw/zinc/70/72/12/707707212.db2.gz WUZMNMQESGXXGK-MAUKXSAKSA-N 2 2 339.443 1.573 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033213028 707707218 /nfs/dbraw/zinc/70/72/18/707707218.db2.gz WUZMNMQESGXXGK-MAUKXSAKSA-N 2 2 339.443 1.573 20 0 EDADLP Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001000161333 707786454 /nfs/dbraw/zinc/78/64/54/707786454.db2.gz SNIVOYQVXMDFBK-ZFWWWQNUSA-N 2 2 342.447 1.344 20 0 EDADLP C[C@@H]([NH2+]Cc1nccs1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004980291 707822331 /nfs/dbraw/zinc/82/23/31/707822331.db2.gz YZFAWGPKHXSRJB-UKRRQHHQSA-N 2 2 347.488 1.979 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)cn1 ZINC001033422706 707837209 /nfs/dbraw/zinc/83/72/09/707837209.db2.gz IKDYJQSSJMMWKT-RHSMWYFYSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)cn1 ZINC001033422706 707837215 /nfs/dbraw/zinc/83/72/15/707837215.db2.gz IKDYJQSSJMMWKT-RHSMWYFYSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001033422706 707837221 /nfs/dbraw/zinc/83/72/21/707837221.db2.gz IKDYJQSSJMMWKT-RHSMWYFYSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001033422706 707837226 /nfs/dbraw/zinc/83/72/26/707837226.db2.gz IKDYJQSSJMMWKT-RHSMWYFYSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)o1 ZINC001033424579 707841969 /nfs/dbraw/zinc/84/19/69/707841969.db2.gz DOGCAPHZHWPWQT-OAHLLOKOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)o1 ZINC001033424579 707841970 /nfs/dbraw/zinc/84/19/70/707841970.db2.gz DOGCAPHZHWPWQT-OAHLLOKOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC001033424579 707841972 /nfs/dbraw/zinc/84/19/72/707841972.db2.gz DOGCAPHZHWPWQT-OAHLLOKOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC001033424579 707841974 /nfs/dbraw/zinc/84/19/74/707841974.db2.gz DOGCAPHZHWPWQT-OAHLLOKOSA-N 2 2 334.464 1.748 20 0 EDADLP C[C@@H]([NH2+]Cc1ccon1)[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001004987717 707842478 /nfs/dbraw/zinc/84/24/78/707842478.db2.gz DRRFWNDTMVECTF-PBHICJAKSA-N 2 2 345.447 1.900 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC001000234541 707904687 /nfs/dbraw/zinc/90/46/87/707904687.db2.gz AQHQCGLOFVDPSS-IACUBPJLSA-N 2 2 346.460 1.156 20 0 EDADLP CN(C)c1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033459458 707910651 /nfs/dbraw/zinc/91/06/51/707910651.db2.gz LASBUBUHHNSYSU-KRWDZBQOSA-N 2 2 341.459 1.751 20 0 EDADLP CN(C)c1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033459458 707910652 /nfs/dbraw/zinc/91/06/52/707910652.db2.gz LASBUBUHHNSYSU-KRWDZBQOSA-N 2 2 341.459 1.751 20 0 EDADLP C[C@@H]([NH2+]Cc1cccnc1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005007426 707917100 /nfs/dbraw/zinc/91/71/00/707917100.db2.gz DJNXYVQYJIMRDM-NVXWUHKLSA-N 2 2 327.432 1.838 20 0 EDADLP Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005008055 707922690 /nfs/dbraw/zinc/92/26/90/707922690.db2.gz GVIYRIJCJDJHAB-XJKSGUPXSA-N 2 2 331.420 1.739 20 0 EDADLP C[C@@H]([NH2+]Cc1nccs1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005009786 707927443 /nfs/dbraw/zinc/92/74/43/707927443.db2.gz OHPLMEIZOVRECJ-ZIAGYGMSSA-N 2 2 333.461 1.899 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC001060944367 708010351 /nfs/dbraw/zinc/01/03/51/708010351.db2.gz KJAGRBHKSMPNMX-OAHLLOKOSA-N 2 2 328.420 1.559 20 0 EDADLP CCc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001005177737 708119035 /nfs/dbraw/zinc/11/90/35/708119035.db2.gz DGQDALXYIGZSGB-INIZCTEOSA-N 2 2 334.464 1.754 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC001005180112 708123091 /nfs/dbraw/zinc/12/30/91/708123091.db2.gz QOBIOBIQYVXXKT-HNNXBMFYSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC001005180112 708123093 /nfs/dbraw/zinc/12/30/93/708123093.db2.gz QOBIOBIQYVXXKT-HNNXBMFYSA-N 2 2 336.505 1.969 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC001044873442 708177386 /nfs/dbraw/zinc/17/73/86/708177386.db2.gz YHDQYNLJWBNQAD-UKRRQHHQSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC001044873442 708177389 /nfs/dbraw/zinc/17/73/89/708177389.db2.gz YHDQYNLJWBNQAD-UKRRQHHQSA-N 2 2 337.489 1.068 20 0 EDADLP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033554049 708218983 /nfs/dbraw/zinc/21/89/83/708218983.db2.gz KXJMAKCKTHNUPV-HOCLYGCPSA-N 2 2 343.431 1.449 20 0 EDADLP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033554049 708218986 /nfs/dbraw/zinc/21/89/86/708218986.db2.gz KXJMAKCKTHNUPV-HOCLYGCPSA-N 2 2 343.431 1.449 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC001033620743 708353164 /nfs/dbraw/zinc/35/31/64/708353164.db2.gz SBZZCTZNUFVSIE-CQSZACIVSA-N 2 2 331.420 1.598 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC001033620743 708353168 /nfs/dbraw/zinc/35/31/68/708353168.db2.gz SBZZCTZNUFVSIE-CQSZACIVSA-N 2 2 331.420 1.598 20 0 EDADLP CCOC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001033621087 708354042 /nfs/dbraw/zinc/35/40/42/708354042.db2.gz SXALYNLTTHOZJV-HWOWSKLDSA-N 2 2 334.464 1.608 20 0 EDADLP CCOC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001033621087 708354048 /nfs/dbraw/zinc/35/40/48/708354048.db2.gz SXALYNLTTHOZJV-HWOWSKLDSA-N 2 2 334.464 1.608 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033707760 708540096 /nfs/dbraw/zinc/54/00/96/708540096.db2.gz TWQJHTJRNXFMDL-MRXNPFEDSA-N 2 2 328.416 1.495 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033707760 708540098 /nfs/dbraw/zinc/54/00/98/708540098.db2.gz TWQJHTJRNXFMDL-MRXNPFEDSA-N 2 2 328.416 1.495 20 0 EDADLP CCCc1noc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001002121575 708635632 /nfs/dbraw/zinc/63/56/32/708635632.db2.gz RHBPGYLPGYOJTH-OAHLLOKOSA-N 2 2 349.479 1.302 20 0 EDADLP CCCc1noc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002121575 708635636 /nfs/dbraw/zinc/63/56/36/708635636.db2.gz RHBPGYLPGYOJTH-OAHLLOKOSA-N 2 2 349.479 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(OC)ccn2)C1 ZINC001033775326 708675431 /nfs/dbraw/zinc/67/54/31/708675431.db2.gz MUBHBZHUGHXFTR-WMZOPIPTSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC001033775326 708675433 /nfs/dbraw/zinc/67/54/33/708675433.db2.gz MUBHBZHUGHXFTR-WMZOPIPTSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(OC)ccn2)C1 ZINC001033775326 708675436 /nfs/dbraw/zinc/67/54/36/708675436.db2.gz MUBHBZHUGHXFTR-WMZOPIPTSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cc(OC)ccn2)C1 ZINC001033775326 708675439 /nfs/dbraw/zinc/67/54/39/708675439.db2.gz MUBHBZHUGHXFTR-WMZOPIPTSA-N 2 2 346.475 1.607 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](N(CC)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033836428 708864044 /nfs/dbraw/zinc/86/40/44/708864044.db2.gz BRKCYIAGNYVMMO-BFYDXBDKSA-N 2 2 348.491 2.000 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](N(CC)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)o1 ZINC001033836428 708864045 /nfs/dbraw/zinc/86/40/45/708864045.db2.gz BRKCYIAGNYVMMO-BFYDXBDKSA-N 2 2 348.491 2.000 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001033836428 708864046 /nfs/dbraw/zinc/86/40/46/708864046.db2.gz BRKCYIAGNYVMMO-BFYDXBDKSA-N 2 2 348.491 2.000 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)o1 ZINC001033836428 708864047 /nfs/dbraw/zinc/86/40/47/708864047.db2.gz BRKCYIAGNYVMMO-BFYDXBDKSA-N 2 2 348.491 2.000 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001002442894 708962111 /nfs/dbraw/zinc/96/21/11/708962111.db2.gz AVYXUOZXZBUMOU-ZDUSSCGKSA-N 2 2 342.896 1.971 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001002442894 708962115 /nfs/dbraw/zinc/96/21/15/708962115.db2.gz AVYXUOZXZBUMOU-ZDUSSCGKSA-N 2 2 342.896 1.971 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002462381 708987390 /nfs/dbraw/zinc/98/73/90/708987390.db2.gz UCTDWGXNOSYVAY-IUODEOHRSA-N 2 2 347.463 1.683 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002462381 708987392 /nfs/dbraw/zinc/98/73/92/708987392.db2.gz UCTDWGXNOSYVAY-IUODEOHRSA-N 2 2 347.463 1.683 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001002472558 709005950 /nfs/dbraw/zinc/00/59/50/709005950.db2.gz BXGRHHZZPPHQTO-TZMCWYRMSA-N 2 2 335.452 1.368 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001002472558 709005953 /nfs/dbraw/zinc/00/59/53/709005953.db2.gz BXGRHHZZPPHQTO-TZMCWYRMSA-N 2 2 335.452 1.368 20 0 EDADLP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1F ZINC001002534961 709092567 /nfs/dbraw/zinc/09/25/67/709092567.db2.gz NIAZAXYNNXMXFY-SFHVURJKSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1F ZINC001002534961 709092570 /nfs/dbraw/zinc/09/25/70/709092570.db2.gz NIAZAXYNNXMXFY-SFHVURJKSA-N 2 2 349.450 1.545 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC001033942117 709148665 /nfs/dbraw/zinc/14/86/65/709148665.db2.gz XHFUVSUXBYSJTC-CJNGLKHVSA-N 2 2 349.479 1.704 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC001033942117 709148668 /nfs/dbraw/zinc/14/86/68/709148668.db2.gz XHFUVSUXBYSJTC-CJNGLKHVSA-N 2 2 349.479 1.704 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001034013955 709228805 /nfs/dbraw/zinc/22/88/05/709228805.db2.gz AKEXSQAFIVNLCN-HNNXBMFYSA-N 2 2 348.516 1.970 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001034013955 709228807 /nfs/dbraw/zinc/22/88/07/709228807.db2.gz AKEXSQAFIVNLCN-HNNXBMFYSA-N 2 2 348.516 1.970 20 0 EDADLP COc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001034140098 709390324 /nfs/dbraw/zinc/39/03/24/709390324.db2.gz WWXUYXBYDCZHBO-QAPCUYQASA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001034140098 709390325 /nfs/dbraw/zinc/39/03/25/709390325.db2.gz WWXUYXBYDCZHBO-QAPCUYQASA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001034140098 709390326 /nfs/dbraw/zinc/39/03/26/709390326.db2.gz WWXUYXBYDCZHBO-QAPCUYQASA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001034140098 709390327 /nfs/dbraw/zinc/39/03/27/709390327.db2.gz WWXUYXBYDCZHBO-QAPCUYQASA-N 2 2 346.475 1.655 20 0 EDADLP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034132641 709402298 /nfs/dbraw/zinc/40/22/98/709402298.db2.gz SWOOLSDMPFEANM-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034132641 709402299 /nfs/dbraw/zinc/40/22/99/709402299.db2.gz SWOOLSDMPFEANM-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034132641 709402300 /nfs/dbraw/zinc/40/23/00/709402300.db2.gz SWOOLSDMPFEANM-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034132641 709402301 /nfs/dbraw/zinc/40/23/01/709402301.db2.gz SWOOLSDMPFEANM-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034133511 709403761 /nfs/dbraw/zinc/40/37/61/709403761.db2.gz ZSNIDJCFOOMANW-RDJZCZTQSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034133511 709403762 /nfs/dbraw/zinc/40/37/62/709403762.db2.gz ZSNIDJCFOOMANW-RDJZCZTQSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001034133511 709403764 /nfs/dbraw/zinc/40/37/64/709403764.db2.gz ZSNIDJCFOOMANW-RDJZCZTQSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001034133511 709403766 /nfs/dbraw/zinc/40/37/66/709403766.db2.gz ZSNIDJCFOOMANW-RDJZCZTQSA-N 2 2 333.480 1.468 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCC3(CCCCCC3)O2)CC1 ZINC000929259651 709408061 /nfs/dbraw/zinc/40/80/61/709408061.db2.gz IXUREODEHPXQLH-KRWDZBQOSA-N 2 2 337.508 1.964 20 0 EDADLP Cc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001034148880 709420092 /nfs/dbraw/zinc/42/00/92/709420092.db2.gz PSUMJKNKMNLNLX-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001034148880 709420094 /nfs/dbraw/zinc/42/00/94/709420094.db2.gz PSUMJKNKMNLNLX-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001034148880 709420096 /nfs/dbraw/zinc/42/00/96/709420096.db2.gz PSUMJKNKMNLNLX-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+](C)CCO3)C2)cc1 ZINC001034148880 709420098 /nfs/dbraw/zinc/42/00/98/709420098.db2.gz PSUMJKNKMNLNLX-RTBURBONSA-N 2 2 345.487 1.796 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC(F)(F)F)C2)C1 ZINC001034148560 709420230 /nfs/dbraw/zinc/42/02/30/709420230.db2.gz LHMITCIWASSQJY-CHWSQXEVSA-N 2 2 337.386 1.240 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC(F)(F)F)C2)C1 ZINC001034148560 709420231 /nfs/dbraw/zinc/42/02/31/709420231.db2.gz LHMITCIWASSQJY-CHWSQXEVSA-N 2 2 337.386 1.240 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC(F)(F)F)C2)C1 ZINC001034148560 709420233 /nfs/dbraw/zinc/42/02/33/709420233.db2.gz LHMITCIWASSQJY-CHWSQXEVSA-N 2 2 337.386 1.240 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CCC(F)(F)F)C2)C1 ZINC001034148560 709420234 /nfs/dbraw/zinc/42/02/34/709420234.db2.gz LHMITCIWASSQJY-CHWSQXEVSA-N 2 2 337.386 1.240 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034240537 709625133 /nfs/dbraw/zinc/62/51/33/709625133.db2.gz REEILXAJUDVXFP-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034240537 709625136 /nfs/dbraw/zinc/62/51/36/709625136.db2.gz REEILXAJUDVXFP-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034240537 709625138 /nfs/dbraw/zinc/62/51/38/709625138.db2.gz REEILXAJUDVXFP-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034240537 709625141 /nfs/dbraw/zinc/62/51/41/709625141.db2.gz REEILXAJUDVXFP-AEFFLSMTSA-N 2 2 347.507 1.765 20 0 EDADLP CCc1nc(N(C)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc(C)[nH+]1 ZINC001061213984 709737354 /nfs/dbraw/zinc/73/73/54/709737354.db2.gz KGZGBRSHTMFQQT-INIZCTEOSA-N 2 2 345.491 1.870 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](C/C=C/Cl)C2)C1 ZINC001034364331 709883287 /nfs/dbraw/zinc/88/32/87/709883287.db2.gz SPACQNSCVGCCHK-MCXNIAKKSA-N 2 2 343.899 1.819 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](C/C=C/Cl)C2)C1 ZINC001034364331 709883292 /nfs/dbraw/zinc/88/32/92/709883292.db2.gz SPACQNSCVGCCHK-MCXNIAKKSA-N 2 2 343.899 1.819 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](C/C=C/Cl)C2)C1 ZINC001034364331 709883298 /nfs/dbraw/zinc/88/32/98/709883298.db2.gz SPACQNSCVGCCHK-MCXNIAKKSA-N 2 2 343.899 1.819 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](C/C=C/Cl)C2)C1 ZINC001034364331 709883301 /nfs/dbraw/zinc/88/33/01/709883301.db2.gz SPACQNSCVGCCHK-MCXNIAKKSA-N 2 2 343.899 1.819 20 0 EDADLP C[NH+](C)CCOCCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922143801 709884635 /nfs/dbraw/zinc/88/46/35/709884635.db2.gz ASNBICKZUCLTJI-UHFFFAOYSA-N 2 2 335.452 1.246 20 0 EDADLP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@H+](Cc3ccon3)C2)CC1 ZINC001034431974 710000622 /nfs/dbraw/zinc/00/06/22/710000622.db2.gz RGUOPARSVOJHMI-INIZCTEOSA-N 2 2 334.464 1.877 20 0 EDADLP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@@H+](Cc3ccon3)C2)CC1 ZINC001034431974 710000626 /nfs/dbraw/zinc/00/06/26/710000626.db2.gz RGUOPARSVOJHMI-INIZCTEOSA-N 2 2 334.464 1.877 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001003147008 710045458 /nfs/dbraw/zinc/04/54/58/710045458.db2.gz SXIYPIYYISNUCT-IRXDYDNUSA-N 2 2 332.448 1.772 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001003147008 710045464 /nfs/dbraw/zinc/04/54/64/710045464.db2.gz SXIYPIYYISNUCT-IRXDYDNUSA-N 2 2 332.448 1.772 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491159 710111109 /nfs/dbraw/zinc/11/11/09/710111109.db2.gz PHRROOYIYCZHMK-OAHLLOKOSA-N 2 2 332.448 1.550 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034491159 710111111 /nfs/dbraw/zinc/11/11/11/710111111.db2.gz PHRROOYIYCZHMK-OAHLLOKOSA-N 2 2 332.448 1.550 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3nccs3)C2)C1 ZINC001034491496 710111678 /nfs/dbraw/zinc/11/16/78/710111678.db2.gz VMAODQVJAPJENN-LSDHHAIUSA-N 2 2 336.505 1.956 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3nccs3)C2)C1 ZINC001034491496 710111680 /nfs/dbraw/zinc/11/16/80/710111680.db2.gz VMAODQVJAPJENN-LSDHHAIUSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@H+](Cc3nccs3)C2)C1 ZINC001034491496 710111681 /nfs/dbraw/zinc/11/16/81/710111681.db2.gz VMAODQVJAPJENN-LSDHHAIUSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3nccs3)C2)C1 ZINC001034491496 710111683 /nfs/dbraw/zinc/11/16/83/710111683.db2.gz VMAODQVJAPJENN-LSDHHAIUSA-N 2 2 336.505 1.956 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@H]2CCCO2)C1 ZINC001034486000 710132410 /nfs/dbraw/zinc/13/24/10/710132410.db2.gz VRENFTCQJLBZAY-NVXWUHKLSA-N 2 2 334.464 1.502 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001034486000 710132411 /nfs/dbraw/zinc/13/24/11/710132411.db2.gz VRENFTCQJLBZAY-NVXWUHKLSA-N 2 2 334.464 1.502 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034527095 710179929 /nfs/dbraw/zinc/17/99/29/710179929.db2.gz DVCSXRPRDFBZJL-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034527095 710179930 /nfs/dbraw/zinc/17/99/30/710179930.db2.gz DVCSXRPRDFBZJL-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP CCn1nnc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527790 710181200 /nfs/dbraw/zinc/18/12/00/710181200.db2.gz IFFOJMKPGHAZTA-MRXNPFEDSA-N 2 2 348.495 1.173 20 0 EDADLP CCn1nnc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527790 710181202 /nfs/dbraw/zinc/18/12/02/710181202.db2.gz IFFOJMKPGHAZTA-MRXNPFEDSA-N 2 2 348.495 1.173 20 0 EDADLP Cc1cnc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034529117 710183909 /nfs/dbraw/zinc/18/39/09/710183909.db2.gz XMBGWOSKNYURIK-SJORKVTESA-N 2 2 345.491 1.913 20 0 EDADLP Cc1cnc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034529117 710183912 /nfs/dbraw/zinc/18/39/12/710183912.db2.gz XMBGWOSKNYURIK-SJORKVTESA-N 2 2 345.491 1.913 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)c1cccc2[nH+]ccn21 ZINC001003294444 710231192 /nfs/dbraw/zinc/23/11/92/710231192.db2.gz YXMAMYHUGGUNMS-OAHLLOKOSA-N 2 2 342.443 1.955 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001032839625 710282227 /nfs/dbraw/zinc/28/22/27/710282227.db2.gz JILWITDPBFVCSW-UXLLHSPISA-N 2 2 331.464 1.521 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001032839625 710282230 /nfs/dbraw/zinc/28/22/30/710282230.db2.gz JILWITDPBFVCSW-UXLLHSPISA-N 2 2 331.464 1.521 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001032839625 710282234 /nfs/dbraw/zinc/28/22/34/710282234.db2.gz JILWITDPBFVCSW-UXLLHSPISA-N 2 2 331.464 1.521 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001032839625 710282235 /nfs/dbraw/zinc/28/22/35/710282235.db2.gz JILWITDPBFVCSW-UXLLHSPISA-N 2 2 331.464 1.521 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001003632729 710461344 /nfs/dbraw/zinc/46/13/44/710461344.db2.gz BXPVTQVTZACKKU-DYVFJYSZSA-N 2 2 346.475 1.830 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001003632729 710461345 /nfs/dbraw/zinc/46/13/45/710461345.db2.gz BXPVTQVTZACKKU-DYVFJYSZSA-N 2 2 346.475 1.830 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)s1 ZINC001003635657 710462762 /nfs/dbraw/zinc/46/27/62/710462762.db2.gz QDTUGYWYGVSNEO-WFASDCNBSA-N 2 2 336.505 1.730 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)s1 ZINC001003635657 710462764 /nfs/dbraw/zinc/46/27/64/710462764.db2.gz QDTUGYWYGVSNEO-WFASDCNBSA-N 2 2 336.505 1.730 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001034682132 710669783 /nfs/dbraw/zinc/66/97/83/710669783.db2.gz IONOMROAFOMFIT-MGPQQGTHSA-N 2 2 344.419 1.046 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001005607968 710692680 /nfs/dbraw/zinc/69/26/80/710692680.db2.gz VJVAXZIQLPTNHW-HUUCEWRRSA-N 2 2 334.464 1.403 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001032943472 710916685 /nfs/dbraw/zinc/91/66/85/710916685.db2.gz FHSNHKGRQSMAGC-ZBFHGGJFSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001032943472 710916686 /nfs/dbraw/zinc/91/66/86/710916686.db2.gz FHSNHKGRQSMAGC-ZBFHGGJFSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001032943472 710916689 /nfs/dbraw/zinc/91/66/89/710916689.db2.gz FHSNHKGRQSMAGC-ZBFHGGJFSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001032943472 710916691 /nfs/dbraw/zinc/91/66/91/710916691.db2.gz FHSNHKGRQSMAGC-ZBFHGGJFSA-N 2 2 336.867 1.862 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032946743 710929514 /nfs/dbraw/zinc/92/95/14/710929514.db2.gz YLVRZRQKEQZIPU-WBVHZDCISA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032946743 710929516 /nfs/dbraw/zinc/92/95/16/710929516.db2.gz YLVRZRQKEQZIPU-WBVHZDCISA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001032946743 710929521 /nfs/dbraw/zinc/92/95/21/710929521.db2.gz YLVRZRQKEQZIPU-WBVHZDCISA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001032946743 710929525 /nfs/dbraw/zinc/92/95/25/710929525.db2.gz YLVRZRQKEQZIPU-WBVHZDCISA-N 2 2 332.448 1.217 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001032975025 711063219 /nfs/dbraw/zinc/06/32/19/711063219.db2.gz FRRZYISSYCGOKP-SJLPKXTDSA-N 2 2 349.450 1.232 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001032975025 711063222 /nfs/dbraw/zinc/06/32/22/711063222.db2.gz FRRZYISSYCGOKP-SJLPKXTDSA-N 2 2 349.450 1.232 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001032975025 711063225 /nfs/dbraw/zinc/06/32/25/711063225.db2.gz FRRZYISSYCGOKP-SJLPKXTDSA-N 2 2 349.450 1.232 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001032975025 711063226 /nfs/dbraw/zinc/06/32/26/711063226.db2.gz FRRZYISSYCGOKP-SJLPKXTDSA-N 2 2 349.450 1.232 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)O1 ZINC001034778381 711079664 /nfs/dbraw/zinc/07/96/64/711079664.db2.gz SAUGQPKDFDNFAE-ANQUJSFKSA-N 2 2 334.464 1.547 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)O1 ZINC001034778423 711080322 /nfs/dbraw/zinc/08/03/22/711080322.db2.gz SAUGQPKDFDNFAE-KCYZZUKISA-N 2 2 334.464 1.547 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2nccs2)CC1 ZINC001005712654 711099019 /nfs/dbraw/zinc/09/90/19/711099019.db2.gz GZGBGFQTBAPUGM-UHFFFAOYSA-N 2 2 333.461 1.771 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001003966454 711103994 /nfs/dbraw/zinc/10/39/94/711103994.db2.gz BYTSUEFIDXJZIW-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001034799574 711135951 /nfs/dbraw/zinc/13/59/51/711135951.db2.gz LCCDHWDFHZSXTR-SHTZXODSSA-N 2 2 343.431 1.966 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799535 711136260 /nfs/dbraw/zinc/13/62/60/711136260.db2.gz JHFSIRZJLOAXDH-WKILWMFISA-N 2 2 330.436 1.142 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]Cc3ccon3)cc2)CC[N@@H+]1C ZINC001034818010 711203060 /nfs/dbraw/zinc/20/30/60/711203060.db2.gz XRVSUEIYXPWFAJ-RDTXWAMCSA-N 2 2 342.443 1.921 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]Cc3ccon3)cc2)CC[N@H+]1C ZINC001034818010 711203064 /nfs/dbraw/zinc/20/30/64/711203064.db2.gz XRVSUEIYXPWFAJ-RDTXWAMCSA-N 2 2 342.443 1.921 20 0 EDADLP Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001034891553 711347940 /nfs/dbraw/zinc/34/79/40/711347940.db2.gz WDTVFBFUHXYUEQ-AEFFLSMTSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001034891553 711347945 /nfs/dbraw/zinc/34/79/45/711347945.db2.gz WDTVFBFUHXYUEQ-AEFFLSMTSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC001004056229 711357444 /nfs/dbraw/zinc/35/74/44/711357444.db2.gz OPXUQHWLZIZBRS-KSSFIOAISA-N 2 2 332.448 1.268 20 0 EDADLP COc1ccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)cn1 ZINC001004151183 711567720 /nfs/dbraw/zinc/56/77/20/711567720.db2.gz GYFCOOYBKFOAFV-UHFFFAOYSA-N 2 2 343.431 1.376 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004486576 711866127 /nfs/dbraw/zinc/86/61/27/711866127.db2.gz WPUBRANSVZBUCT-INIZCTEOSA-N 2 2 342.443 1.643 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004486576 711866129 /nfs/dbraw/zinc/86/61/29/711866129.db2.gz WPUBRANSVZBUCT-INIZCTEOSA-N 2 2 342.443 1.643 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617293 711869443 /nfs/dbraw/zinc/86/94/43/711869443.db2.gz AOXCBYKPDVOAQD-OAGGEKHMSA-N 2 2 334.464 1.548 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946617293 711869444 /nfs/dbraw/zinc/86/94/44/711869444.db2.gz AOXCBYKPDVOAQD-OAGGEKHMSA-N 2 2 334.464 1.548 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617293 711869445 /nfs/dbraw/zinc/86/94/45/711869445.db2.gz AOXCBYKPDVOAQD-OAGGEKHMSA-N 2 2 334.464 1.548 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946617293 711869447 /nfs/dbraw/zinc/86/94/47/711869447.db2.gz AOXCBYKPDVOAQD-OAGGEKHMSA-N 2 2 334.464 1.548 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033151068 712115187 /nfs/dbraw/zinc/11/51/87/712115187.db2.gz HQKVQEBUGJRDMA-DLBZAZTESA-N 2 2 339.443 1.888 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033151068 712115188 /nfs/dbraw/zinc/11/51/88/712115188.db2.gz HQKVQEBUGJRDMA-DLBZAZTESA-N 2 2 339.443 1.888 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000174332784 231180433 /nfs/dbraw/zinc/18/04/33/231180433.db2.gz VBVRDGHDZBGONX-HUUCEWRRSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000174332784 231180436 /nfs/dbraw/zinc/18/04/36/231180436.db2.gz VBVRDGHDZBGONX-HUUCEWRRSA-N 2 2 328.416 1.399 20 0 EDADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022103 529545805 /nfs/dbraw/zinc/54/58/05/529545805.db2.gz XCMPLTATWBMOIL-RBUKOAKNSA-N 2 2 345.487 1.530 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000363418720 282257594 /nfs/dbraw/zinc/25/75/94/282257594.db2.gz KGEFASNLDUVQNL-DOTOQJQBSA-N 2 2 334.464 1.451 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000359080590 282256270 /nfs/dbraw/zinc/25/62/70/282256270.db2.gz ZITZENIJYGWPPR-FGTMMUONSA-N 2 2 337.508 1.866 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000359080590 282256273 /nfs/dbraw/zinc/25/62/73/282256273.db2.gz ZITZENIJYGWPPR-FGTMMUONSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000433838400 305113771 /nfs/dbraw/zinc/11/37/71/305113771.db2.gz KELSGWFXQALAMY-SJORKVTESA-N 2 2 325.497 1.532 20 0 EDADLP CC(C)[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000433838400 305113772 /nfs/dbraw/zinc/11/37/72/305113772.db2.gz KELSGWFXQALAMY-SJORKVTESA-N 2 2 325.497 1.532 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@H+](C)CC(=O)N2CCCCC2)CCC[NH+]1C ZINC000346929080 282342812 /nfs/dbraw/zinc/34/28/12/282342812.db2.gz NKYZTQDKXQZIPY-LPHOPBHVSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)CC(=O)N2CCCCC2)CCC[NH+]1C ZINC000346929080 282342813 /nfs/dbraw/zinc/34/28/13/282342813.db2.gz NKYZTQDKXQZIPY-LPHOPBHVSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)CC(=O)N2CCCCC2)CCC[N@@H+]1C ZINC000346929080 282342814 /nfs/dbraw/zinc/34/28/14/282342814.db2.gz NKYZTQDKXQZIPY-LPHOPBHVSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)CC(=O)N2CCCCC2)CCC[N@H+]1C ZINC000346929080 282342815 /nfs/dbraw/zinc/34/28/15/282342815.db2.gz NKYZTQDKXQZIPY-LPHOPBHVSA-N 2 2 347.507 1.747 20 0 EDADLP CC(C)(CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000561045710 306281862 /nfs/dbraw/zinc/28/18/62/306281862.db2.gz NDAVWEKIDMNGBO-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP CC(C)(CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000561045710 306281863 /nfs/dbraw/zinc/28/18/63/306281863.db2.gz NDAVWEKIDMNGBO-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)C1 ZINC000561147287 306282726 /nfs/dbraw/zinc/28/27/26/306282726.db2.gz RDNOFULQTGYEDL-CVEARBPZSA-N 2 2 327.432 1.903 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2(c3ccc(F)cc3)CCC2)[C@H](C[NH3+])C1 ZINC000561152412 306282904 /nfs/dbraw/zinc/28/29/04/306282904.db2.gz DRDWXZWQIXFQOD-MRXNPFEDSA-N 2 2 334.439 1.532 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3ccc(F)cc3)CCC2)[C@H](C[NH3+])C1 ZINC000561152412 306282905 /nfs/dbraw/zinc/28/29/05/306282905.db2.gz DRDWXZWQIXFQOD-MRXNPFEDSA-N 2 2 334.439 1.532 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[NH+]3CC(C)(C)C3)c[nH+]2)CCO1 ZINC000561156138 306282994 /nfs/dbraw/zinc/28/29/94/306282994.db2.gz LBIPGBHXTHOTPM-AWEZNQCLSA-N 2 2 332.448 1.265 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248977784 539694727 /nfs/dbraw/zinc/69/47/27/539694727.db2.gz RMGWXEDQJPYXCY-WMZOPIPTSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248977784 539694729 /nfs/dbraw/zinc/69/47/29/539694729.db2.gz RMGWXEDQJPYXCY-WMZOPIPTSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248977784 539694730 /nfs/dbraw/zinc/69/47/30/539694730.db2.gz RMGWXEDQJPYXCY-WMZOPIPTSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248977784 539694732 /nfs/dbraw/zinc/69/47/32/539694732.db2.gz RMGWXEDQJPYXCY-WMZOPIPTSA-N 2 2 342.443 1.342 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000561615363 306289438 /nfs/dbraw/zinc/28/94/38/306289438.db2.gz MHRRSEBIECWUQJ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000561615363 306289439 /nfs/dbraw/zinc/28/94/39/306289439.db2.gz MHRRSEBIECWUQJ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561615363 306289440 /nfs/dbraw/zinc/28/94/40/306289440.db2.gz MHRRSEBIECWUQJ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561615363 306289441 /nfs/dbraw/zinc/28/94/41/306289441.db2.gz MHRRSEBIECWUQJ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000104272618 219368161 /nfs/dbraw/zinc/36/81/61/219368161.db2.gz JHDHXUCJHDDYKS-INIZCTEOSA-N 2 2 331.464 1.646 20 0 EDADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562372020 306296732 /nfs/dbraw/zinc/29/67/32/306296732.db2.gz WYLSLIHRSSODCX-CYBMUJFWSA-N 2 2 347.850 1.890 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152532332 539817289 /nfs/dbraw/zinc/81/72/89/539817289.db2.gz ZFXCKPFQKUWJTG-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152532332 539817295 /nfs/dbraw/zinc/81/72/95/539817295.db2.gz ZFXCKPFQKUWJTG-AEFFLSMTSA-N 2 2 346.475 1.233 20 0 EDADLP c1cn2c([nH+]1)C[C@H](c1nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)CC2 ZINC000350181473 539872806 /nfs/dbraw/zinc/87/28/06/539872806.db2.gz JCMAXDPTPPSAQB-MCIONIFRSA-N 2 2 329.404 1.922 20 0 EDADLP c1cn2c([nH+]1)C[C@H](c1nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no1)CC2 ZINC000350181473 539872812 /nfs/dbraw/zinc/87/28/12/539872812.db2.gz JCMAXDPTPPSAQB-MCIONIFRSA-N 2 2 329.404 1.922 20 0 EDADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000181046363 234069745 /nfs/dbraw/zinc/06/97/45/234069745.db2.gz XMJCEHQQYUNGKH-ROUUACIJSA-N 2 2 345.487 1.887 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000362174214 540004790 /nfs/dbraw/zinc/00/47/90/540004790.db2.gz VFLSAQYXGYYZOA-XWTMOSNGSA-N 2 2 327.513 1.120 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000362174214 540004791 /nfs/dbraw/zinc/00/47/91/540004791.db2.gz VFLSAQYXGYYZOA-XWTMOSNGSA-N 2 2 327.513 1.120 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000362174214 540004794 /nfs/dbraw/zinc/00/47/94/540004794.db2.gz VFLSAQYXGYYZOA-XWTMOSNGSA-N 2 2 327.513 1.120 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000362174214 540004798 /nfs/dbraw/zinc/00/47/98/540004798.db2.gz VFLSAQYXGYYZOA-XWTMOSNGSA-N 2 2 327.513 1.120 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)CC2 ZINC000563244136 306324444 /nfs/dbraw/zinc/32/44/44/306324444.db2.gz QBTKPYZHDMGWTE-AEFFLSMTSA-N 2 2 346.475 1.467 20 0 EDADLP CCc1cccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174711001 540095724 /nfs/dbraw/zinc/09/57/24/540095724.db2.gz VITKMSRRUJIMKH-UHFFFAOYSA-N 2 2 332.492 1.757 20 0 EDADLP CCc1cccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174711001 540095726 /nfs/dbraw/zinc/09/57/26/540095726.db2.gz VITKMSRRUJIMKH-UHFFFAOYSA-N 2 2 332.492 1.757 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000189319855 540164404 /nfs/dbraw/zinc/16/44/04/540164404.db2.gz RMGWXEDQJPYXCY-FUHWJXTLSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000189319855 540164407 /nfs/dbraw/zinc/16/44/07/540164407.db2.gz RMGWXEDQJPYXCY-FUHWJXTLSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000189319855 540164410 /nfs/dbraw/zinc/16/44/10/540164410.db2.gz RMGWXEDQJPYXCY-FUHWJXTLSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000189319855 540164413 /nfs/dbraw/zinc/16/44/13/540164413.db2.gz RMGWXEDQJPYXCY-FUHWJXTLSA-N 2 2 342.443 1.342 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000563352322 306329246 /nfs/dbraw/zinc/32/92/46/306329246.db2.gz CAKXVSQEWZDJHI-CRAIPNDOSA-N 2 2 349.475 1.403 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000563352322 306329247 /nfs/dbraw/zinc/32/92/47/306329247.db2.gz CAKXVSQEWZDJHI-CRAIPNDOSA-N 2 2 349.475 1.403 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000331961929 283123139 /nfs/dbraw/zinc/12/31/39/283123139.db2.gz SNQRKEXPQLZHEC-KCXAZCMYSA-N 2 2 338.402 1.843 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000331961929 283123140 /nfs/dbraw/zinc/12/31/40/283123140.db2.gz SNQRKEXPQLZHEC-KCXAZCMYSA-N 2 2 338.402 1.843 20 0 EDADLP O=C1COc2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2N1 ZINC000563429133 306332626 /nfs/dbraw/zinc/33/26/26/306332626.db2.gz PRZHZBRMCRFBFZ-MRXNPFEDSA-N 2 2 345.443 1.704 20 0 EDADLP O=C1COc2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2N1 ZINC000563429133 306332627 /nfs/dbraw/zinc/33/26/27/306332627.db2.gz PRZHZBRMCRFBFZ-MRXNPFEDSA-N 2 2 345.443 1.704 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)n1C ZINC000563439706 306333227 /nfs/dbraw/zinc/33/32/27/306333227.db2.gz LPJDHOPWNHWQIM-UHFFFAOYSA-N 2 2 327.837 1.945 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([NH+]4CCCC4)CC3)nc[nH+]2)C1 ZINC000413062795 304054622 /nfs/dbraw/zinc/05/46/22/304054622.db2.gz QDWWLMVECAATQP-HOTGVXAUSA-N 2 2 345.491 1.748 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([NH+]4CCCC4)CC3)[nH+]cn2)C1 ZINC000413062795 304054624 /nfs/dbraw/zinc/05/46/24/304054624.db2.gz QDWWLMVECAATQP-HOTGVXAUSA-N 2 2 345.491 1.748 20 0 EDADLP COCCCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051301051 138134927 /nfs/dbraw/zinc/13/49/27/138134927.db2.gz DMYMODLKXPLKHA-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072965453 138212043 /nfs/dbraw/zinc/21/20/43/138212043.db2.gz RFZKALVTDOKUGW-JKSUJKDBSA-N 2 2 348.491 1.170 20 0 EDADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072965453 138212045 /nfs/dbraw/zinc/21/20/45/138212045.db2.gz RFZKALVTDOKUGW-JKSUJKDBSA-N 2 2 348.491 1.170 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072965453 138212047 /nfs/dbraw/zinc/21/20/47/138212047.db2.gz RFZKALVTDOKUGW-JKSUJKDBSA-N 2 2 348.491 1.170 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000072965453 138212049 /nfs/dbraw/zinc/21/20/49/138212049.db2.gz RFZKALVTDOKUGW-JKSUJKDBSA-N 2 2 348.491 1.170 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000086250063 138271033 /nfs/dbraw/zinc/27/10/33/138271033.db2.gz IXRUHRDTGXHKQY-DYVFJYSZSA-N 2 2 328.416 1.689 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000086250063 138271034 /nfs/dbraw/zinc/27/10/34/138271034.db2.gz IXRUHRDTGXHKQY-DYVFJYSZSA-N 2 2 328.416 1.689 20 0 EDADLP CCc1nn(C)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000092366713 138288503 /nfs/dbraw/zinc/28/85/03/138288503.db2.gz CNVNYBZYSOOTMF-UHFFFAOYSA-N 2 2 333.480 1.271 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000115801458 138311321 /nfs/dbraw/zinc/31/13/21/138311321.db2.gz FIACYFPCXBSOMW-OAHLLOKOSA-N 2 2 333.480 1.745 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000115801458 138311322 /nfs/dbraw/zinc/31/13/22/138311322.db2.gz FIACYFPCXBSOMW-OAHLLOKOSA-N 2 2 333.480 1.745 20 0 EDADLP [NH3+]C1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCCCC1 ZINC000563595745 306340947 /nfs/dbraw/zinc/34/09/47/306340947.db2.gz UIGNTTDXTLNQKY-INIZCTEOSA-N 2 2 338.496 1.544 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000125157282 138332418 /nfs/dbraw/zinc/33/24/18/138332418.db2.gz AWSOJRGBUCMUQX-QGZVFWFLSA-N 2 2 340.512 1.374 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000126259704 138337763 /nfs/dbraw/zinc/33/77/63/138337763.db2.gz RVFGIDANDMKBSP-MRXNPFEDSA-N 2 2 340.427 1.916 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000130393037 138341178 /nfs/dbraw/zinc/34/11/78/138341178.db2.gz OOMRRHZSENOIOL-UHFFFAOYSA-N 2 2 330.432 1.872 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130393037 138341179 /nfs/dbraw/zinc/34/11/79/138341179.db2.gz OOMRRHZSENOIOL-UHFFFAOYSA-N 2 2 330.432 1.872 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCOC ZINC000131069560 138351419 /nfs/dbraw/zinc/35/14/19/138351419.db2.gz JJAQEWFGHPWFFQ-CVEARBPZSA-N 2 2 334.464 1.405 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCOC ZINC000131069560 138351421 /nfs/dbraw/zinc/35/14/21/138351421.db2.gz JJAQEWFGHPWFFQ-CVEARBPZSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1ccn(-c2ccccc2NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000563943884 306352824 /nfs/dbraw/zinc/35/28/24/306352824.db2.gz KBKWNKCZQKJTLK-CQSZACIVSA-N 2 2 328.420 1.287 20 0 EDADLP Cc1ccn(-c2ccccc2NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000563943884 306352825 /nfs/dbraw/zinc/35/28/25/306352825.db2.gz KBKWNKCZQKJTLK-CQSZACIVSA-N 2 2 328.420 1.287 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2cccc3ccoc32)CN1CC[NH+]1CCOCC1 ZINC000565284975 306380332 /nfs/dbraw/zinc/38/03/32/306380332.db2.gz CKPGJQOLYPQOIP-KRWDZBQOSA-N 2 2 343.427 1.456 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cnc3ccccc3c2)CC1 ZINC000131499132 223240562 /nfs/dbraw/zinc/24/05/62/223240562.db2.gz ATQZKIQZEJXQRA-UHFFFAOYSA-N 2 2 340.471 1.920 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000565778461 306391411 /nfs/dbraw/zinc/39/14/11/306391411.db2.gz MJCKPJDKPFHKOW-UHFFFAOYSA-N 2 2 327.392 1.001 20 0 EDADLP C[C@@H](O)[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000414578565 304123260 /nfs/dbraw/zinc/12/32/60/304123260.db2.gz IERPALMJHRIBBU-OXQOHEQNSA-N 2 2 347.503 1.799 20 0 EDADLP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000414749232 304137112 /nfs/dbraw/zinc/13/71/12/304137112.db2.gz VTZOXTYLPLKNLB-QGZVFWFLSA-N 3 2 338.540 1.770 20 0 EDADLP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000414749232 304137113 /nfs/dbraw/zinc/13/71/13/304137113.db2.gz VTZOXTYLPLKNLB-QGZVFWFLSA-N 3 2 338.540 1.770 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000241776792 243001056 /nfs/dbraw/zinc/00/10/56/243001056.db2.gz RSPZOLTZOSIDEP-KRWDZBQOSA-N 2 2 346.475 1.821 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000241776792 243001059 /nfs/dbraw/zinc/00/10/59/243001059.db2.gz RSPZOLTZOSIDEP-KRWDZBQOSA-N 2 2 346.475 1.821 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000566675951 306424592 /nfs/dbraw/zinc/42/45/92/306424592.db2.gz KBHYNDGDEWTFKI-QLFBSQMISA-N 2 2 334.464 1.700 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](CCOc2cccc(Cl)c2)CC1=O ZINC000649689263 452200477 /nfs/dbraw/zinc/20/04/77/452200477.db2.gz AMAQLXHMLMKQRJ-UHFFFAOYSA-N 2 2 325.840 1.425 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](CCOc2cccc(Cl)c2)CC1=O ZINC000649689263 452200487 /nfs/dbraw/zinc/20/04/87/452200487.db2.gz AMAQLXHMLMKQRJ-UHFFFAOYSA-N 2 2 325.840 1.425 20 0 EDADLP CC(C)c1nc(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC000110534978 220042855 /nfs/dbraw/zinc/04/28/55/220042855.db2.gz VLHRZDHYYMJDHF-HNNXBMFYSA-N 2 2 331.464 1.590 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCCCC1 ZINC000237201717 139043940 /nfs/dbraw/zinc/04/39/40/139043940.db2.gz OBCDDMDEGDDLEZ-DLBZAZTESA-N 2 2 347.459 1.327 20 0 EDADLP COc1ccc([C@H](NC(=O)C2CC[NH2+]CC2)c2[nH+]ccn2C)cc1 ZINC000237348662 139048813 /nfs/dbraw/zinc/04/88/13/139048813.db2.gz IOXSUONFTRKDKH-INIZCTEOSA-N 2 2 328.416 1.634 20 0 EDADLP C[C@@H](CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)C1CC[NH2+]CC1 ZINC000237389456 139049921 /nfs/dbraw/zinc/04/99/21/139049921.db2.gz OARSBWXWPRIMTD-LBPRGKRZSA-N 2 2 337.468 1.508 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000567435865 306451434 /nfs/dbraw/zinc/45/14/34/306451434.db2.gz AHALUBZZUQJIFF-UHFFFAOYSA-N 2 2 328.420 1.279 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000237439414 139051338 /nfs/dbraw/zinc/05/13/38/139051338.db2.gz KHFPRRRAOQZVON-GFCCVEGCSA-N 2 2 331.445 1.516 20 0 EDADLP C[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237510130 139052968 /nfs/dbraw/zinc/05/29/68/139052968.db2.gz JDSQZWJPUQPWMW-SUMWQHHRSA-N 2 2 334.439 1.190 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000237515848 139053170 /nfs/dbraw/zinc/05/31/70/139053170.db2.gz HIIVBKRVOWPNBO-QFBILLFUSA-N 2 2 345.491 1.241 20 0 EDADLP C[C@@]1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCC[NH2+]C1 ZINC000237582221 139054619 /nfs/dbraw/zinc/05/46/19/139054619.db2.gz UGVWNQAJENRSND-LJQANCHMSA-N 2 2 326.444 1.980 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000080919454 217342041 /nfs/dbraw/zinc/34/20/41/217342041.db2.gz BBZFHRXYUJNQDE-SFHVURJKSA-N 2 2 331.460 1.685 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000081230068 217372948 /nfs/dbraw/zinc/37/29/48/217372948.db2.gz DNBJXYAPEBJEPJ-FUHWJXTLSA-N 2 2 347.459 1.279 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000081230068 217372952 /nfs/dbraw/zinc/37/29/52/217372952.db2.gz DNBJXYAPEBJEPJ-FUHWJXTLSA-N 2 2 347.459 1.279 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000111824418 220200723 /nfs/dbraw/zinc/20/07/23/220200723.db2.gz XZWQNNUXDAESBY-UHFFFAOYSA-N 2 2 335.452 1.247 20 0 EDADLP Cc1ccc(-c2nc(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)co2)cc1 ZINC000567683729 306459160 /nfs/dbraw/zinc/45/91/60/306459160.db2.gz WALFQAPPVDPQOU-GOSISDBHSA-N 2 2 344.459 1.348 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000246129129 139095920 /nfs/dbraw/zinc/09/59/20/139095920.db2.gz DZONSNLVJHYZLI-CVEARBPZSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000246129129 139095921 /nfs/dbraw/zinc/09/59/21/139095921.db2.gz DZONSNLVJHYZLI-CVEARBPZSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000246129129 139095922 /nfs/dbraw/zinc/09/59/22/139095922.db2.gz DZONSNLVJHYZLI-CVEARBPZSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000246129129 139095923 /nfs/dbraw/zinc/09/59/23/139095923.db2.gz DZONSNLVJHYZLI-CVEARBPZSA-N 2 2 333.480 1.579 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@H]1CCCO1 ZINC000246085882 139094198 /nfs/dbraw/zinc/09/41/98/139094198.db2.gz GIHKVFPINUDMDE-JKSUJKDBSA-N 2 2 332.448 1.230 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@H]1CCCO1 ZINC000246085882 139094199 /nfs/dbraw/zinc/09/41/99/139094199.db2.gz GIHKVFPINUDMDE-JKSUJKDBSA-N 2 2 332.448 1.230 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246987183 139129750 /nfs/dbraw/zinc/12/97/50/139129750.db2.gz KMFPHCPPAPDKFB-WMZOPIPTSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246987183 139129751 /nfs/dbraw/zinc/12/97/51/139129751.db2.gz KMFPHCPPAPDKFB-WMZOPIPTSA-N 3 2 331.508 1.653 20 0 EDADLP C[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056390 452225480 /nfs/dbraw/zinc/22/54/80/452225480.db2.gz YVFACWKCMDYISZ-BYNSBNAKSA-N 2 2 329.510 1.038 20 0 EDADLP C[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056390 452225488 /nfs/dbraw/zinc/22/54/88/452225488.db2.gz YVFACWKCMDYISZ-BYNSBNAKSA-N 2 2 329.510 1.038 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(Cc4cccnc4)nn3)CC[C@H]21 ZINC000248482650 139165949 /nfs/dbraw/zinc/16/59/49/139165949.db2.gz IZAOHDGHFLMXAL-FUHWJXTLSA-N 2 2 326.448 1.638 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(Cc4cccnc4)nn3)CC[C@H]21 ZINC000248482650 139165950 /nfs/dbraw/zinc/16/59/50/139165950.db2.gz IZAOHDGHFLMXAL-FUHWJXTLSA-N 2 2 326.448 1.638 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(Cc4cccnc4)nn3)CC[C@H]21 ZINC000248482650 139165951 /nfs/dbraw/zinc/16/59/51/139165951.db2.gz IZAOHDGHFLMXAL-FUHWJXTLSA-N 2 2 326.448 1.638 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(Cc4cccnc4)nn3)CC[C@H]21 ZINC000248482650 139165952 /nfs/dbraw/zinc/16/59/52/139165952.db2.gz IZAOHDGHFLMXAL-FUHWJXTLSA-N 2 2 326.448 1.638 20 0 EDADLP COC(=O)c1oc([C@@H](C)[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1C ZINC000091538595 218018826 /nfs/dbraw/zinc/01/88/26/218018826.db2.gz GGQYEQAXBXLIQP-CYBMUJFWSA-N 2 2 337.420 1.141 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCOC[C@@H]3C[C@H](C)O)c2cc1C ZINC000248629112 139169182 /nfs/dbraw/zinc/16/91/82/139169182.db2.gz PWNJNYLFAJFCMK-YESZJQIVSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCOC[C@@H]3C[C@H](C)O)c2cc1C ZINC000248629112 139169183 /nfs/dbraw/zinc/16/91/83/139169183.db2.gz PWNJNYLFAJFCMK-YESZJQIVSA-N 2 2 347.459 1.486 20 0 EDADLP C[C@@H](CNC(=O)C[NH+](C)[C@@H]1CCSC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056390 452225498 /nfs/dbraw/zinc/22/54/98/452225498.db2.gz YVFACWKCMDYISZ-BYNSBNAKSA-N 2 2 329.510 1.038 20 0 EDADLP C[C@@H](CNC(=O)C[NH+](C)[C@@H]1CCSC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056390 452225495 /nfs/dbraw/zinc/22/54/95/452225495.db2.gz YVFACWKCMDYISZ-BYNSBNAKSA-N 2 2 329.510 1.038 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000248771517 139175125 /nfs/dbraw/zinc/17/51/25/139175125.db2.gz VQBKIMHOLCGHKV-MJGOQNOKSA-N 2 2 346.519 1.822 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000248771517 139175126 /nfs/dbraw/zinc/17/51/26/139175126.db2.gz VQBKIMHOLCGHKV-MJGOQNOKSA-N 2 2 346.519 1.822 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N[C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000248771517 139175127 /nfs/dbraw/zinc/17/51/27/139175127.db2.gz VQBKIMHOLCGHKV-MJGOQNOKSA-N 2 2 346.519 1.822 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000248771517 139175128 /nfs/dbraw/zinc/17/51/28/139175128.db2.gz VQBKIMHOLCGHKV-MJGOQNOKSA-N 2 2 346.519 1.822 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC[NH2+]1 ZINC000415408241 304215352 /nfs/dbraw/zinc/21/53/52/304215352.db2.gz BVCKXPNDCVAFJN-LLVKDONJSA-N 2 2 338.839 1.160 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3C(=O)OC)C2)CC1 ZINC000093132613 218196656 /nfs/dbraw/zinc/19/66/56/218196656.db2.gz HUQPJASSHHNWFZ-KRWDZBQOSA-N 2 2 331.460 1.685 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3C(=O)OC)C2)CC1 ZINC000093132613 218196657 /nfs/dbraw/zinc/19/66/57/218196657.db2.gz HUQPJASSHHNWFZ-KRWDZBQOSA-N 2 2 331.460 1.685 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000093820870 218252860 /nfs/dbraw/zinc/25/28/60/218252860.db2.gz DTHOFWZMGIHZHF-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000093820870 218252863 /nfs/dbraw/zinc/25/28/63/218252863.db2.gz DTHOFWZMGIHZHF-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP COCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821068 218253188 /nfs/dbraw/zinc/25/31/88/218253188.db2.gz AEOJDIAEMLZURY-GOSISDBHSA-N 2 2 331.460 1.571 20 0 EDADLP COCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821068 218253190 /nfs/dbraw/zinc/25/31/90/218253190.db2.gz AEOJDIAEMLZURY-GOSISDBHSA-N 2 2 331.460 1.571 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000415447977 304221058 /nfs/dbraw/zinc/22/10/58/304221058.db2.gz LCANGSPUMJXWAL-HIFRSBDPSA-N 2 2 341.415 1.269 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000261618362 139211697 /nfs/dbraw/zinc/21/16/97/139211697.db2.gz CZILTFYOCBVODI-QGZVFWFLSA-N 2 2 336.505 1.063 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000261618362 139211698 /nfs/dbraw/zinc/21/16/98/139211698.db2.gz CZILTFYOCBVODI-QGZVFWFLSA-N 2 2 336.505 1.063 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000261618362 139211699 /nfs/dbraw/zinc/21/16/99/139211699.db2.gz CZILTFYOCBVODI-QGZVFWFLSA-N 3 2 336.505 1.063 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000261618362 139211700 /nfs/dbraw/zinc/21/17/00/139211700.db2.gz CZILTFYOCBVODI-QGZVFWFLSA-N 3 2 336.505 1.063 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000261629522 139212598 /nfs/dbraw/zinc/21/25/98/139212598.db2.gz BWQIEPQCYKSPEL-LLVKDONJSA-N 2 2 341.839 1.254 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000261629522 139212599 /nfs/dbraw/zinc/21/25/99/139212599.db2.gz BWQIEPQCYKSPEL-LLVKDONJSA-N 2 2 341.839 1.254 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@](C)(C[NH3+])C3)CC2)c1 ZINC000261607076 139210313 /nfs/dbraw/zinc/21/03/13/139210313.db2.gz BJYUPMYJTBUTEI-FQEVSTJZSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@](C)(C[NH3+])C3)CC2)c1 ZINC000261607076 139210314 /nfs/dbraw/zinc/21/03/14/139210314.db2.gz BJYUPMYJTBUTEI-FQEVSTJZSA-N 3 2 344.503 1.310 20 0 EDADLP c1cc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)[nH+]cc1N1CCOCC1 ZINC000261857311 139231975 /nfs/dbraw/zinc/23/19/75/139231975.db2.gz BVYHVTUDZLTYFY-BRWVUGGUSA-N 2 2 332.448 1.487 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000261891304 139234539 /nfs/dbraw/zinc/23/45/39/139234539.db2.gz NVPXTKSPJPSLMS-QGZVFWFLSA-N 2 2 326.400 1.234 20 0 EDADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)ccn1 ZINC000261899327 139235158 /nfs/dbraw/zinc/23/51/58/139235158.db2.gz HLJSZEKKPDINMW-AQNXPRMDSA-N 3 2 344.503 1.793 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)C1CCOCC1 ZINC000261908882 139236004 /nfs/dbraw/zinc/23/60/04/139236004.db2.gz XHRNCMFTKPVAPF-QGZVFWFLSA-N 2 2 332.448 1.442 20 0 EDADLP c1nnc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)n1-c1ccccc1 ZINC000261914335 139236481 /nfs/dbraw/zinc/23/64/81/139236481.db2.gz JKVGHULCTWHRDE-BBWFWOEESA-N 2 2 327.432 1.514 20 0 EDADLP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261943888 139239076 /nfs/dbraw/zinc/23/90/76/139239076.db2.gz NBHKEVVFYGWYJX-CVEARBPZSA-N 2 2 348.466 1.770 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000261972478 139240935 /nfs/dbraw/zinc/24/09/35/139240935.db2.gz ZECMONNMQOCGNH-JQHSSLGASA-N 2 2 328.460 1.647 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000262010815 139243616 /nfs/dbraw/zinc/24/36/16/139243616.db2.gz MFRRCZBBJHSEPA-LBPRGKRZSA-N 2 2 329.366 1.923 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000262010815 139243617 /nfs/dbraw/zinc/24/36/17/139243617.db2.gz MFRRCZBBJHSEPA-LBPRGKRZSA-N 2 2 329.366 1.923 20 0 EDADLP [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CC1 ZINC000415543637 250998455 /nfs/dbraw/zinc/99/84/55/250998455.db2.gz XSUKGQXMKXJNTR-MRXNPFEDSA-N 2 2 340.383 1.666 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000416989022 251119156 /nfs/dbraw/zinc/11/91/56/251119156.db2.gz VFYSNVIHFKLAEL-GDBMZVCRSA-N 2 2 347.463 1.235 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417018250 251134019 /nfs/dbraw/zinc/13/40/19/251134019.db2.gz PSBGYJMFTQHSRY-GFCCVEGCSA-N 2 2 327.379 1.192 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+][C@@H](C)C3)c[nH+]2)C[C@H](C)O1 ZINC000416997068 251123460 /nfs/dbraw/zinc/12/34/60/251123460.db2.gz XKNDQOCBKCWKQS-SOUVJXGZSA-N 2 2 347.463 1.199 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416995849 251123726 /nfs/dbraw/zinc/12/37/26/251123726.db2.gz PNNZIHGGDOXBPB-RHSMWYFYSA-N 2 2 327.432 1.729 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000416997914 251124383 /nfs/dbraw/zinc/12/43/83/251124383.db2.gz OQCDTKQTJXQQOL-AWEZNQCLSA-N 2 2 339.443 1.791 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000417171781 251144786 /nfs/dbraw/zinc/14/47/86/251144786.db2.gz FCWPWDNEQMTWFF-JQHSSLGASA-N 2 2 346.475 1.499 20 0 EDADLP C[C@@H](NC(=O)N(CC[NH3+])Cc1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000417518639 251182654 /nfs/dbraw/zinc/18/26/54/251182654.db2.gz KUULSKNQDOCTOT-HZPDHXFCSA-N 2 2 334.464 1.266 20 0 EDADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000262373235 139274136 /nfs/dbraw/zinc/27/41/36/139274136.db2.gz WXVLEUSPGBAMHU-WFASDCNBSA-N 2 2 325.840 1.519 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+])c1c(F)cccc1F ZINC000417653406 251214167 /nfs/dbraw/zinc/21/41/67/251214167.db2.gz BDWGKPRGDFRHCZ-NILFDRSVSA-N 2 2 340.418 1.994 20 0 EDADLP COc1cc(NC(=O)NCCn2cc[nH+]c2)ccc1OCC[NH+](C)C ZINC000417673360 251223257 /nfs/dbraw/zinc/22/32/57/251223257.db2.gz VYOIXYCDLHWNEI-UHFFFAOYSA-N 2 2 347.419 1.654 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417828667 251286727 /nfs/dbraw/zinc/28/67/27/251286727.db2.gz PAMSBNWYEKWFRQ-MELADBBJSA-N 2 2 340.493 1.546 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417828667 251286730 /nfs/dbraw/zinc/28/67/30/251286730.db2.gz PAMSBNWYEKWFRQ-MELADBBJSA-N 2 2 340.493 1.546 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417841273 251294377 /nfs/dbraw/zinc/29/43/77/251294377.db2.gz LUBKNZYITVKQCM-QGZVFWFLSA-N 2 2 333.476 1.835 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417841273 251294379 /nfs/dbraw/zinc/29/43/79/251294379.db2.gz LUBKNZYITVKQCM-QGZVFWFLSA-N 2 2 333.476 1.835 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000417846474 251295333 /nfs/dbraw/zinc/29/53/33/251295333.db2.gz UCZMTPFLXYPGTJ-LEOMRAHMSA-N 2 2 330.476 1.327 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000418437564 251370252 /nfs/dbraw/zinc/37/02/52/251370252.db2.gz YJDCYHFTGHCABE-SFHVURJKSA-N 2 2 339.443 1.609 20 0 EDADLP COc1ccc([C@@H](NC(=O)[C@H](C)C2C[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000262545653 139285503 /nfs/dbraw/zinc/28/55/03/139285503.db2.gz NZRDTCVAXWIIHA-MLGOLLRUSA-N 2 2 328.416 1.490 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418718715 251395802 /nfs/dbraw/zinc/39/58/02/251395802.db2.gz DSVHPLUCAOYORL-CYBMUJFWSA-N 2 2 332.439 1.747 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000418626288 251380351 /nfs/dbraw/zinc/38/03/51/251380351.db2.gz LABUKNQNDNBDAM-IRXDYDNUSA-N 2 2 348.491 1.527 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000418626289 251380790 /nfs/dbraw/zinc/38/07/90/251380790.db2.gz LABUKNQNDNBDAM-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000422709505 251956941 /nfs/dbraw/zinc/95/69/41/251956941.db2.gz DRWQVTHWRMZGAH-SJLPKXTDSA-N 2 2 336.524 1.441 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000422873187 252006318 /nfs/dbraw/zinc/00/63/18/252006318.db2.gz KKRBNHSMATWXMI-GOSISDBHSA-N 2 2 335.492 1.620 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000422873187 252006322 /nfs/dbraw/zinc/00/63/22/252006322.db2.gz KKRBNHSMATWXMI-GOSISDBHSA-N 2 2 335.492 1.620 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@@H]1CCC[NH2+]1 ZINC000422896542 252015036 /nfs/dbraw/zinc/01/50/36/252015036.db2.gz AIUXNIWJMGJRFI-WBAXXEDZSA-N 2 2 331.460 1.826 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000422821384 251987797 /nfs/dbraw/zinc/98/77/97/251987797.db2.gz VWDXUGJTYXAAHB-IXDOHACOSA-N 2 2 325.497 1.770 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)CC2 ZINC000422853213 252001197 /nfs/dbraw/zinc/00/11/97/252001197.db2.gz YQBCYAQNFSTRSS-XJKSGUPXSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)CC2 ZINC000422853213 252001198 /nfs/dbraw/zinc/00/11/98/252001198.db2.gz YQBCYAQNFSTRSS-XJKSGUPXSA-N 2 2 347.459 1.258 20 0 EDADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000423057009 252029288 /nfs/dbraw/zinc/02/92/88/252029288.db2.gz YSMJISIHCMFTKO-JYJNAYRXSA-N 2 2 340.489 1.514 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000423781977 252071070 /nfs/dbraw/zinc/07/10/70/252071070.db2.gz LRYZGYNCVMFTCW-KRWDZBQOSA-N 2 2 325.416 1.442 20 0 EDADLP C[C@@]1(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC[NH2+]C1 ZINC000423932608 252104779 /nfs/dbraw/zinc/10/47/79/252104779.db2.gz SUZOLGYYFXAHSS-DNVCBOLYSA-N 2 2 344.459 1.661 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3C[C@]3(F)c3ccccc3)cn2)CC1 ZINC000424209816 252161441 /nfs/dbraw/zinc/16/14/41/252161441.db2.gz ZSRKEAVATHEWBB-HKUYNNGSSA-N 2 2 341.434 1.955 20 0 EDADLP COc1ccc(CCNC(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424339470 252197747 /nfs/dbraw/zinc/19/77/47/252197747.db2.gz WEQKYEZIXLAVSJ-FVQBIDKESA-N 2 2 349.475 1.611 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)n1cccn1 ZINC000424748215 252272190 /nfs/dbraw/zinc/27/21/90/252272190.db2.gz HPNPJNPMZATMPG-HRBLRVMOSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)n1cccn1 ZINC000424748215 252272192 /nfs/dbraw/zinc/27/21/92/252272192.db2.gz HPNPJNPMZATMPG-HRBLRVMOSA-N 2 2 345.491 1.604 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCO1 ZINC000426041904 252315232 /nfs/dbraw/zinc/31/52/32/252315232.db2.gz AKOXZGCCCRKXLF-GJZGRUSLSA-N 2 2 328.501 1.373 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCO1 ZINC000426041904 252315236 /nfs/dbraw/zinc/31/52/36/252315236.db2.gz AKOXZGCCCRKXLF-GJZGRUSLSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@H]1CCCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1C[NH3+] ZINC000415703422 304259590 /nfs/dbraw/zinc/25/95/90/304259590.db2.gz FWKDRNLKZSYTJH-ZFWWWQNUSA-N 2 2 328.420 1.918 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000487812255 255036457 /nfs/dbraw/zinc/03/64/57/255036457.db2.gz PAXXBNNUBUBJIN-HZMVEIRTSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000487812255 255036458 /nfs/dbraw/zinc/03/64/58/255036458.db2.gz PAXXBNNUBUBJIN-HZMVEIRTSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000154204108 224218512 /nfs/dbraw/zinc/21/85/12/224218512.db2.gz GYPBBNTUTCDFFX-GOSISDBHSA-N 2 2 336.524 1.347 20 0 EDADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000489495326 255068788 /nfs/dbraw/zinc/06/87/88/255068788.db2.gz BPMLNODAMWHRTE-SFHVURJKSA-N 2 2 345.487 1.865 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000489495326 255068789 /nfs/dbraw/zinc/06/87/89/255068789.db2.gz BPMLNODAMWHRTE-SFHVURJKSA-N 2 2 345.487 1.865 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000492299451 255168817 /nfs/dbraw/zinc/16/88/17/255168817.db2.gz MTDJYKBQLVXCMT-JZIMQPMSSA-N 2 2 332.448 1.533 20 0 EDADLP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493475804 255210795 /nfs/dbraw/zinc/21/07/95/255210795.db2.gz BKTGBKCHLFTGPR-XITLMJRVSA-N 2 2 348.447 1.689 20 0 EDADLP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493475804 255210796 /nfs/dbraw/zinc/21/07/96/255210796.db2.gz BKTGBKCHLFTGPR-XITLMJRVSA-N 2 2 348.447 1.689 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000493553103 255215119 /nfs/dbraw/zinc/21/51/19/255215119.db2.gz KPFHPBFLFHSBPP-VCPQXCNPSA-N 2 2 338.411 1.475 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000494196988 255242019 /nfs/dbraw/zinc/24/20/19/255242019.db2.gz AWONIZCMVIXWLU-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000494196988 255242020 /nfs/dbraw/zinc/24/20/20/255242020.db2.gz AWONIZCMVIXWLU-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@]3(C)CCO[C@H]3C)CC2)c1 ZINC000494234065 255242880 /nfs/dbraw/zinc/24/28/80/255242880.db2.gz MYAUJKHIEBNGEP-PXNSSMCTSA-N 2 2 345.487 1.796 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000494661005 255256965 /nfs/dbraw/zinc/25/69/65/255256965.db2.gz ILRXVWRITYMJRI-KRWDZBQOSA-N 2 2 338.496 1.271 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000494661005 255256966 /nfs/dbraw/zinc/25/69/66/255256966.db2.gz ILRXVWRITYMJRI-KRWDZBQOSA-N 2 2 338.496 1.271 20 0 EDADLP CC(C)(C)OC(=O)NCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000495645936 255311579 /nfs/dbraw/zinc/31/15/79/255311579.db2.gz FGWWQHJFKDNEGY-MRXNPFEDSA-N 2 2 341.496 1.945 20 0 EDADLP CC(C)(C)OC(=O)NCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000495645936 255311580 /nfs/dbraw/zinc/31/15/80/255311580.db2.gz FGWWQHJFKDNEGY-MRXNPFEDSA-N 2 2 341.496 1.945 20 0 EDADLP CC[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000337816196 285262709 /nfs/dbraw/zinc/26/27/09/285262709.db2.gz QSRHCPRRXGWBCY-MRXNPFEDSA-N 3 2 339.528 1.044 20 0 EDADLP CC[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000337816196 285262712 /nfs/dbraw/zinc/26/27/12/285262712.db2.gz QSRHCPRRXGWBCY-MRXNPFEDSA-N 3 2 339.528 1.044 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092352 255351399 /nfs/dbraw/zinc/35/13/99/255351399.db2.gz KKLKYNGNNXNBLI-HUUCEWRRSA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092352 255351400 /nfs/dbraw/zinc/35/14/00/255351400.db2.gz KKLKYNGNNXNBLI-HUUCEWRRSA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092352 255351401 /nfs/dbraw/zinc/35/14/01/255351401.db2.gz KKLKYNGNNXNBLI-HUUCEWRRSA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092352 255351402 /nfs/dbraw/zinc/35/14/02/255351402.db2.gz KKLKYNGNNXNBLI-HUUCEWRRSA-N 2 2 329.485 1.630 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000496260597 255372196 /nfs/dbraw/zinc/37/21/96/255372196.db2.gz DAKDPAZDCWGTLY-SUMWQHHRSA-N 2 2 338.452 1.865 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000118834379 221191495 /nfs/dbraw/zinc/19/14/95/221191495.db2.gz KNIQFZBQLBERKN-IBGZPJMESA-N 2 2 348.535 1.632 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000118834379 221191499 /nfs/dbraw/zinc/19/14/99/221191499.db2.gz KNIQFZBQLBERKN-IBGZPJMESA-N 2 2 348.535 1.632 20 0 EDADLP FC(F)(F)Cn1cc[nH+]c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000118843925 221195239 /nfs/dbraw/zinc/19/52/39/221195239.db2.gz WQBPXJXSFQLDPS-UHFFFAOYSA-N 2 2 345.413 1.659 20 0 EDADLP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000154835619 224313903 /nfs/dbraw/zinc/31/39/03/224313903.db2.gz WCSMCIGHEPQAAT-UHFFFAOYSA-N 2 2 342.399 1.832 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000155099969 224358010 /nfs/dbraw/zinc/35/80/10/224358010.db2.gz ASYWFDAOKLKDNM-UHFFFAOYSA-N 2 2 342.447 1.228 20 0 EDADLP Cn1cc[nH+]c1CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271245002 140263136 /nfs/dbraw/zinc/26/31/36/140263136.db2.gz BYYZLHUYAOGNGN-IBGZPJMESA-N 2 2 339.487 1.812 20 0 EDADLP Cn1cc[nH+]c1CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271245002 140263137 /nfs/dbraw/zinc/26/31/37/140263137.db2.gz BYYZLHUYAOGNGN-IBGZPJMESA-N 2 2 339.487 1.812 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCCC[NH+]3CCCC3)ccc2[nH+]1 ZINC000271524911 140307000 /nfs/dbraw/zinc/30/70/00/140307000.db2.gz DKIHFULBOJOUDX-UHFFFAOYSA-N 2 2 329.404 1.183 20 0 EDADLP COCCCOCC[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000271572174 140313231 /nfs/dbraw/zinc/31/32/31/140313231.db2.gz OSYRJLUGHUHZQI-QGZVFWFLSA-N 2 2 349.475 1.999 20 0 EDADLP COCCCOCC[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000271572174 140313233 /nfs/dbraw/zinc/31/32/33/140313233.db2.gz OSYRJLUGHUHZQI-QGZVFWFLSA-N 2 2 349.475 1.999 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000271724397 140339797 /nfs/dbraw/zinc/33/97/97/140339797.db2.gz ZQRVBJRTDOZANM-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000271768236 140346897 /nfs/dbraw/zinc/34/68/97/140346897.db2.gz DTZRNWHJXPVVPM-UHFFFAOYSA-N 2 2 333.432 1.293 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2nccn2C(F)F)CC1 ZINC000271819484 140355874 /nfs/dbraw/zinc/35/58/74/140355874.db2.gz OVEPJBFVVAVCLA-UHFFFAOYSA-N 2 2 330.379 1.785 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000331993194 141107748 /nfs/dbraw/zinc/10/77/48/141107748.db2.gz VFIYEBPHFOBJHD-OAHLLOKOSA-N 2 2 328.416 1.319 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000331993194 141107750 /nfs/dbraw/zinc/10/77/50/141107750.db2.gz VFIYEBPHFOBJHD-OAHLLOKOSA-N 2 2 328.416 1.319 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)[nH+]1 ZINC000332119157 141126158 /nfs/dbraw/zinc/12/61/58/141126158.db2.gz HYOPIHQQKKABRT-CABCVRRESA-N 2 2 330.432 1.485 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(CCO)C3CCC3)CC2)CC1 ZINC000333019859 141251154 /nfs/dbraw/zinc/25/11/54/141251154.db2.gz DJNIPHBVHQHDKW-UHFFFAOYSA-N 2 2 338.496 1.101 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[NH+](C3CCC3)CC2)nc[nH+]1 ZINC000333078141 141260153 /nfs/dbraw/zinc/26/01/53/141260153.db2.gz WKVASHIREFVHBU-INIZCTEOSA-N 2 2 331.464 1.502 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C1)CCCC2 ZINC000333129482 141268576 /nfs/dbraw/zinc/26/85/76/141268576.db2.gz IINIYMWIFCIXGH-GJZGRUSLSA-N 2 2 337.489 1.752 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C1)CCCC2 ZINC000333129482 141268577 /nfs/dbraw/zinc/26/85/77/141268577.db2.gz IINIYMWIFCIXGH-GJZGRUSLSA-N 2 2 337.489 1.752 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000333573095 141338950 /nfs/dbraw/zinc/33/89/50/141338950.db2.gz IWTHIHAKAIANBJ-CYBMUJFWSA-N 2 2 332.404 1.174 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333583355 141340749 /nfs/dbraw/zinc/34/07/49/141340749.db2.gz ALALUHMPJQGBLB-HOTGVXAUSA-N 2 2 345.491 1.793 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)nc[nH+]3)C[C@H]21 ZINC000333617302 141345793 /nfs/dbraw/zinc/34/57/93/141345793.db2.gz YXGVFBPSHSDICK-QKPAOTATSA-N 2 2 331.464 1.391 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)C[C@H]21 ZINC000333617302 141345794 /nfs/dbraw/zinc/34/57/94/141345794.db2.gz YXGVFBPSHSDICK-QKPAOTATSA-N 2 2 331.464 1.391 20 0 EDADLP c1ccc(-c2nc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)no2)cc1 ZINC000333766192 141376509 /nfs/dbraw/zinc/37/65/09/141376509.db2.gz DLLUOAFAGDNYDM-CVEARBPZSA-N 2 2 340.427 1.937 20 0 EDADLP c1ccc(-c2nc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)no2)cc1 ZINC000333766192 141376510 /nfs/dbraw/zinc/37/65/10/141376510.db2.gz DLLUOAFAGDNYDM-CVEARBPZSA-N 2 2 340.427 1.937 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000337380009 141582788 /nfs/dbraw/zinc/58/27/88/141582788.db2.gz XTXWQAHKRJYDIK-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H](C)CO ZINC000339624359 142098562 /nfs/dbraw/zinc/09/85/62/142098562.db2.gz ANTNYDHGTYCXJN-IAGOWNOFSA-N 2 2 333.476 1.595 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H](C)CO ZINC000339624359 142098565 /nfs/dbraw/zinc/09/85/65/142098565.db2.gz ANTNYDHGTYCXJN-IAGOWNOFSA-N 2 2 333.476 1.595 20 0 EDADLP COC(=O)c1ccoc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339908456 142196829 /nfs/dbraw/zinc/19/68/29/142196829.db2.gz PCEHCZWNUBVTQJ-XYPWUTKMSA-N 2 2 347.459 1.809 20 0 EDADLP COC(=O)c1ccoc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000339908456 142196831 /nfs/dbraw/zinc/19/68/31/142196831.db2.gz PCEHCZWNUBVTQJ-XYPWUTKMSA-N 2 2 347.459 1.809 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCC2CCOCC2)CC1 ZINC000340248569 142318923 /nfs/dbraw/zinc/31/89/23/142318923.db2.gz DRSWSMLMLRLPTF-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)n1C ZINC000344990218 143036198 /nfs/dbraw/zinc/03/61/98/143036198.db2.gz KLGAGXGNPRNERL-QAPCUYQASA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c[nH+]c(CN(C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)n1C ZINC000344990218 143036199 /nfs/dbraw/zinc/03/61/99/143036199.db2.gz KLGAGXGNPRNERL-QAPCUYQASA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cnn1C(C)(C)C ZINC000345312563 143076503 /nfs/dbraw/zinc/07/65/03/143076503.db2.gz MCKDMYMZTDMOHH-CJNGLKHVSA-N 2 2 335.496 1.937 20 0 EDADLP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cnn1C(C)(C)C ZINC000345312563 143076504 /nfs/dbraw/zinc/07/65/04/143076504.db2.gz MCKDMYMZTDMOHH-CJNGLKHVSA-N 2 2 335.496 1.937 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]2CCOCC2)c1 ZINC000345690871 143122021 /nfs/dbraw/zinc/12/20/21/143122021.db2.gz CGKATWWMTUDZNY-LSDHHAIUSA-N 2 2 341.402 1.467 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](C)C[NH+](C)C)CC2 ZINC000346170427 143174554 /nfs/dbraw/zinc/17/45/54/143174554.db2.gz VWUOIUUIILJZKB-CYBMUJFWSA-N 2 2 335.448 1.128 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](C)C[NH+](C)C)CC2 ZINC000346170427 143174555 /nfs/dbraw/zinc/17/45/55/143174555.db2.gz VWUOIUUIILJZKB-CYBMUJFWSA-N 2 2 335.448 1.128 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000346271984 143185916 /nfs/dbraw/zinc/18/59/16/143185916.db2.gz RJPRBAGWYYUBAU-BBRMVZONSA-N 2 2 349.479 1.084 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000346271984 143185917 /nfs/dbraw/zinc/18/59/17/143185917.db2.gz RJPRBAGWYYUBAU-BBRMVZONSA-N 2 2 349.479 1.084 20 0 EDADLP CCO[C@H](C)c1noc(CN2CC[NH+](CCn3cc[nH+]c3C)CC2)n1 ZINC000346315503 143190846 /nfs/dbraw/zinc/19/08/46/143190846.db2.gz SOYYUOQHDYRCDY-CQSZACIVSA-N 2 2 348.451 1.490 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C(=O)OC)n2)[C@H](C)C1 ZINC000346444894 143205366 /nfs/dbraw/zinc/20/53/66/143205366.db2.gz MHMXUPMNANZYOD-UKRRQHHQSA-N 2 2 348.447 1.469 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C(=O)OC)n2)[C@H](C)C1 ZINC000346444894 143205367 /nfs/dbraw/zinc/20/53/67/143205367.db2.gz MHMXUPMNANZYOD-UKRRQHHQSA-N 2 2 348.447 1.469 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(=O)OC)n2)[C@H](C)C1 ZINC000346444894 143205368 /nfs/dbraw/zinc/20/53/68/143205368.db2.gz MHMXUPMNANZYOD-UKRRQHHQSA-N 2 2 348.447 1.469 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(=O)OC)n2)[C@H](C)C1 ZINC000346444894 143205369 /nfs/dbraw/zinc/20/53/69/143205369.db2.gz MHMXUPMNANZYOD-UKRRQHHQSA-N 2 2 348.447 1.469 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2CC2CC2)[C@@H](C)C1 ZINC000346613343 143222207 /nfs/dbraw/zinc/22/22/07/143222207.db2.gz MJFHKRNDDHZJSV-HOCLYGCPSA-N 2 2 336.484 1.310 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnnn2CC2CC2)[C@@H](C)C1 ZINC000346613343 143222208 /nfs/dbraw/zinc/22/22/08/143222208.db2.gz MJFHKRNDDHZJSV-HOCLYGCPSA-N 2 2 336.484 1.310 20 0 EDADLP Cn1cc(CC[N@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)cn1 ZINC000346873109 143254342 /nfs/dbraw/zinc/25/43/42/143254342.db2.gz JORXGAVAKXUPKQ-AEFFLSMTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[N@@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)cn1 ZINC000346873109 143254343 /nfs/dbraw/zinc/25/43/43/143254343.db2.gz JORXGAVAKXUPKQ-AEFFLSMTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)cn1 ZINC000346873109 143254344 /nfs/dbraw/zinc/25/43/44/143254344.db2.gz JORXGAVAKXUPKQ-AEFFLSMTSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1cc(CC[NH+](C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)cn1 ZINC000346873109 143254345 /nfs/dbraw/zinc/25/43/45/143254345.db2.gz JORXGAVAKXUPKQ-AEFFLSMTSA-N 2 2 330.480 1.711 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000347000188 143269756 /nfs/dbraw/zinc/26/97/56/143269756.db2.gz UCMIQEDKOBDDJS-CVEARBPZSA-N 2 2 337.468 1.414 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000347000188 143269757 /nfs/dbraw/zinc/26/97/57/143269757.db2.gz UCMIQEDKOBDDJS-CVEARBPZSA-N 2 2 337.468 1.414 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347094359 143282067 /nfs/dbraw/zinc/28/20/67/143282067.db2.gz RAXMNNWESJQQQZ-JKSUJKDBSA-N 2 2 349.431 1.239 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347094359 143282068 /nfs/dbraw/zinc/28/20/68/143282068.db2.gz RAXMNNWESJQQQZ-JKSUJKDBSA-N 2 2 349.431 1.239 20 0 EDADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000347172341 143290961 /nfs/dbraw/zinc/29/09/61/143290961.db2.gz UZPKQAJGFLXIAK-ZDUSSCGKSA-N 2 2 325.478 1.338 20 0 EDADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000347172341 143290962 /nfs/dbraw/zinc/29/09/62/143290962.db2.gz UZPKQAJGFLXIAK-ZDUSSCGKSA-N 2 2 325.478 1.338 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000347250646 143300268 /nfs/dbraw/zinc/30/02/68/143300268.db2.gz YNWIUAAXMZPOON-INIZCTEOSA-N 2 2 342.443 1.709 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000347250646 143300269 /nfs/dbraw/zinc/30/02/69/143300269.db2.gz YNWIUAAXMZPOON-INIZCTEOSA-N 2 2 342.443 1.709 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000369783036 155175906 /nfs/dbraw/zinc/17/59/06/155175906.db2.gz HLAYGLGDBQTJDB-UHFFFAOYSA-N 2 2 344.463 1.854 20 0 EDADLP CC(C)n1cc(C[N@H+]2CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000369783036 155175912 /nfs/dbraw/zinc/17/59/12/155175912.db2.gz HLAYGLGDBQTJDB-UHFFFAOYSA-N 2 2 344.463 1.854 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000369783036 155175914 /nfs/dbraw/zinc/17/59/14/155175914.db2.gz HLAYGLGDBQTJDB-UHFFFAOYSA-N 2 2 344.463 1.854 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416857834 304352501 /nfs/dbraw/zinc/35/25/01/304352501.db2.gz FFYYWVCMAGLMMJ-HZPDHXFCSA-N 2 2 346.475 1.398 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC000356982675 292197590 /nfs/dbraw/zinc/19/75/90/292197590.db2.gz VJPSXNSJWUZPPN-MSOLQXFVSA-N 2 2 331.460 1.579 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000356982675 292197591 /nfs/dbraw/zinc/19/75/91/292197591.db2.gz VJPSXNSJWUZPPN-MSOLQXFVSA-N 2 2 331.460 1.579 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1C ZINC000369895841 155220904 /nfs/dbraw/zinc/22/09/04/155220904.db2.gz MUJBOFSMSJPWCG-ZBFHGGJFSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1C ZINC000369895841 155220905 /nfs/dbraw/zinc/22/09/05/155220905.db2.gz MUJBOFSMSJPWCG-ZBFHGGJFSA-N 2 2 342.447 1.891 20 0 EDADLP CCOC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352714629 149126765 /nfs/dbraw/zinc/12/67/65/149126765.db2.gz LXJAQOSKXDDVFR-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP CCOC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352714629 149126767 /nfs/dbraw/zinc/12/67/67/149126767.db2.gz LXJAQOSKXDDVFR-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000369906011 155225937 /nfs/dbraw/zinc/22/59/37/155225937.db2.gz KEPFRUNOYAPZDY-GDBMZVCRSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000369906011 155225940 /nfs/dbraw/zinc/22/59/40/155225940.db2.gz KEPFRUNOYAPZDY-GDBMZVCRSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000369906011 155225941 /nfs/dbraw/zinc/22/59/41/155225941.db2.gz KEPFRUNOYAPZDY-GDBMZVCRSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000369906011 155225945 /nfs/dbraw/zinc/22/59/45/155225945.db2.gz KEPFRUNOYAPZDY-GDBMZVCRSA-N 2 2 332.448 1.284 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000352766282 149156303 /nfs/dbraw/zinc/15/63/03/149156303.db2.gz BOHGKMUJBYKOMG-GOSISDBHSA-N 2 2 344.503 1.009 20 0 EDADLP C[C@H]1CSC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352796206 149168834 /nfs/dbraw/zinc/16/88/34/149168834.db2.gz GGQLXGHFUZAVFL-DZGCQCFKSA-N 2 2 339.530 1.733 20 0 EDADLP COc1cccc(N2C[C@H]([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2=O)c1 ZINC000352901691 149209685 /nfs/dbraw/zinc/20/96/85/149209685.db2.gz PZMGELKKMXVQSV-HBUWYVDXSA-N 2 2 329.444 1.873 20 0 EDADLP COc1cccc(N2C[C@H]([NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2=O)c1 ZINC000352901691 149209687 /nfs/dbraw/zinc/20/96/87/149209687.db2.gz PZMGELKKMXVQSV-HBUWYVDXSA-N 2 2 329.444 1.873 20 0 EDADLP CO[C@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000353205748 149324324 /nfs/dbraw/zinc/32/43/24/149324324.db2.gz QASILEYVTUKFSS-CQSZACIVSA-N 2 2 325.478 1.359 20 0 EDADLP CO[C@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000353205748 149324332 /nfs/dbraw/zinc/32/43/32/149324332.db2.gz QASILEYVTUKFSS-CQSZACIVSA-N 2 2 325.478 1.359 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@@H]1C[NH3+] ZINC000416972008 304357803 /nfs/dbraw/zinc/35/78/03/304357803.db2.gz FJJDQUYMGPXDAY-HOCLYGCPSA-N 2 2 331.464 1.808 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000416976945 304359209 /nfs/dbraw/zinc/35/92/09/304359209.db2.gz ALQHZORCPYZPBK-UKRRQHHQSA-N 2 2 335.452 1.089 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NC(C)(C)C[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000416979132 304360031 /nfs/dbraw/zinc/36/00/31/304360031.db2.gz DUHJXKPFAIUHJU-STQMWFEESA-N 2 2 335.452 1.232 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000354861709 150000267 /nfs/dbraw/zinc/00/02/67/150000267.db2.gz QSCVNDQLIRHLHK-HIFRSBDPSA-N 2 2 333.411 1.526 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354890456 150013515 /nfs/dbraw/zinc/01/35/15/150013515.db2.gz DNZANQJSRFROTD-XUWVNRHRSA-N 2 2 339.480 1.249 20 0 EDADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354890456 150013521 /nfs/dbraw/zinc/01/35/21/150013521.db2.gz DNZANQJSRFROTD-XUWVNRHRSA-N 2 2 339.480 1.249 20 0 EDADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354890456 150013524 /nfs/dbraw/zinc/01/35/24/150013524.db2.gz DNZANQJSRFROTD-XUWVNRHRSA-N 2 2 339.480 1.249 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](CC)CO)CC1)[N@H+](C)Cc1ccccc1 ZINC000355249931 150183912 /nfs/dbraw/zinc/18/39/12/150183912.db2.gz BYBRGMTVPSTKEK-RBUKOAKNSA-N 2 2 347.503 1.812 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](CC)CO)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355249931 150183914 /nfs/dbraw/zinc/18/39/14/150183914.db2.gz BYBRGMTVPSTKEK-RBUKOAKNSA-N 2 2 347.503 1.812 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000355341213 150223696 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329.444 1.240 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000355509710 150298857 /nfs/dbraw/zinc/29/88/57/150298857.db2.gz LKSRPQVHOJBYAT-OFQRWUPVSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000355509710 150298859 /nfs/dbraw/zinc/29/88/59/150298859.db2.gz LKSRPQVHOJBYAT-OFQRWUPVSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000355509710 150298862 /nfs/dbraw/zinc/29/88/62/150298862.db2.gz LKSRPQVHOJBYAT-OFQRWUPVSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000355509710 150298865 /nfs/dbraw/zinc/29/88/65/150298865.db2.gz LKSRPQVHOJBYAT-OFQRWUPVSA-N 2 2 349.479 1.034 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000355555936 150312023 /nfs/dbraw/zinc/31/20/23/150312023.db2.gz OSFNQDKCIJAEHA-HZPDHXFCSA-N 2 2 328.416 1.094 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000355555936 150312027 /nfs/dbraw/zinc/31/20/27/150312027.db2.gz OSFNQDKCIJAEHA-HZPDHXFCSA-N 2 2 328.416 1.094 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000355780734 150398585 /nfs/dbraw/zinc/39/85/85/150398585.db2.gz CXFXWEJNRZQDGJ-INIZCTEOSA-N 2 2 328.501 1.467 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417039156 304364936 /nfs/dbraw/zinc/36/49/36/304364936.db2.gz NSZSBMUVIXXTMH-OIISXLGYSA-N 2 2 332.448 1.191 20 0 EDADLP O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000370016115 155283297 /nfs/dbraw/zinc/28/32/97/155283297.db2.gz GMMAEBYVHORDIS-ARFHVFGLSA-N 2 2 332.448 1.378 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417046290 304366224 /nfs/dbraw/zinc/36/62/24/304366224.db2.gz WHWOWXRVMJRJLR-WMZOPIPTSA-N 2 2 346.475 1.359 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000357570640 151071197 /nfs/dbraw/zinc/07/11/97/151071197.db2.gz OJGPPKBVTJCYKB-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000357570640 151071199 /nfs/dbraw/zinc/07/11/99/151071199.db2.gz OJGPPKBVTJCYKB-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)cc1F ZINC000357650327 151101246 /nfs/dbraw/zinc/10/12/46/151101246.db2.gz QKGIJSVOJNHNKB-CQSZACIVSA-N 2 2 337.439 1.850 20 0 EDADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)cc1F ZINC000357650327 151101247 /nfs/dbraw/zinc/10/12/47/151101247.db2.gz QKGIJSVOJNHNKB-CQSZACIVSA-N 2 2 337.439 1.850 20 0 EDADLP C[C@H]1CSC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000357735848 151131716 /nfs/dbraw/zinc/13/17/16/151131716.db2.gz HRJLBPSZVYRPAD-ZFWWWQNUSA-N 2 2 328.526 1.405 20 0 EDADLP C[C@H]1CSC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357735848 151131717 /nfs/dbraw/zinc/13/17/17/151131717.db2.gz HRJLBPSZVYRPAD-ZFWWWQNUSA-N 2 2 328.526 1.405 20 0 EDADLP O=C(C[N@H+]1CC[C@H](CCO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000357841773 151170176 /nfs/dbraw/zinc/17/01/76/151170176.db2.gz SBFGQAPCSKMNDS-OAHLLOKOSA-N 2 2 337.489 1.097 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](CCO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000357841773 151170178 /nfs/dbraw/zinc/17/01/78/151170178.db2.gz SBFGQAPCSKMNDS-OAHLLOKOSA-N 2 2 337.489 1.097 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000358030577 151240063 /nfs/dbraw/zinc/24/00/63/151240063.db2.gz XPMCNPBVAGRNGT-BXUZGUMPSA-N 2 2 331.869 1.158 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000358030577 151240065 /nfs/dbraw/zinc/24/00/65/151240065.db2.gz XPMCNPBVAGRNGT-BXUZGUMPSA-N 2 2 331.869 1.158 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000358136734 151285147 /nfs/dbraw/zinc/28/51/47/151285147.db2.gz LTQHVAIMFWJPRV-QGZVFWFLSA-N 2 2 347.440 1.695 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000358136734 151285150 /nfs/dbraw/zinc/28/51/50/151285150.db2.gz LTQHVAIMFWJPRV-QGZVFWFLSA-N 2 2 347.440 1.695 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000358142975 151286982 /nfs/dbraw/zinc/28/69/82/151286982.db2.gz SAUDWIQUEDGXQU-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000358142975 151286984 /nfs/dbraw/zinc/28/69/84/151286984.db2.gz SAUDWIQUEDGXQU-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358271310 151322525 /nfs/dbraw/zinc/32/25/25/151322525.db2.gz YDQIWQRFIOOXDT-PMUMKWKESA-N 2 2 326.444 1.857 20 0 EDADLP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358271310 151322528 /nfs/dbraw/zinc/32/25/28/151322528.db2.gz YDQIWQRFIOOXDT-PMUMKWKESA-N 2 2 326.444 1.857 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000417078090 304370660 /nfs/dbraw/zinc/37/06/60/304370660.db2.gz QCXMEVUMWVMBGI-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCO[C@H]2c2cccnc2)CC1 ZINC000358312544 151333768 /nfs/dbraw/zinc/33/37/68/151333768.db2.gz RGNIYXMTVHTRIF-MSOLQXFVSA-N 2 2 346.475 1.301 20 0 EDADLP C[C@@H](C(=O)NCc1cccc(-c2[nH+]ccn2C)c1)N1CC[NH+](C)CC1 ZINC000370054251 155305582 /nfs/dbraw/zinc/30/55/82/155305582.db2.gz VJYIEEGSJMONRR-HNNXBMFYSA-N 2 2 341.459 1.339 20 0 EDADLP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC(c2ccc(C)[nH+]c2)CC1 ZINC000370069107 155312440 /nfs/dbraw/zinc/31/24/40/155312440.db2.gz DPRWEPDJDVPLCH-AWEZNQCLSA-N 2 2 348.447 1.430 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC000344109537 286280708 /nfs/dbraw/zinc/28/07/08/286280708.db2.gz SPNVMGXFQYVORQ-BZUAXINKSA-N 2 2 325.497 1.722 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC000344109537 286280709 /nfs/dbraw/zinc/28/07/09/286280709.db2.gz SPNVMGXFQYVORQ-BZUAXINKSA-N 2 2 325.497 1.722 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000360534795 152084339 /nfs/dbraw/zinc/08/43/39/152084339.db2.gz KFKYBBFPXXFPQE-LJQANCHMSA-N 2 2 346.450 1.160 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000360534795 152084340 /nfs/dbraw/zinc/08/43/40/152084340.db2.gz KFKYBBFPXXFPQE-LJQANCHMSA-N 2 2 346.450 1.160 20 0 EDADLP CC[C@@H](C)[C@@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000360831887 152223609 /nfs/dbraw/zinc/22/36/09/152223609.db2.gz UBBKMJREJPDPKV-HZPDHXFCSA-N 2 2 325.497 1.460 20 0 EDADLP CC(=O)Nc1cccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000360883600 152241016 /nfs/dbraw/zinc/24/10/16/152241016.db2.gz NYDXOSCKPVLVEI-UHFFFAOYSA-N 2 2 332.448 1.401 20 0 EDADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000360939607 152257938 /nfs/dbraw/zinc/25/79/38/152257938.db2.gz BNMUDCVMRGOJOX-PKOBYXMFSA-N 3 2 332.492 1.998 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063523 152293023 /nfs/dbraw/zinc/29/30/23/152293023.db2.gz RTUCJSZPDHVFDS-UHFFFAOYSA-N 2 2 349.479 1.857 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(O)c1 ZINC000361123591 152313039 /nfs/dbraw/zinc/31/30/39/152313039.db2.gz GUGIDROBESPFRE-GDBMZVCRSA-N 2 2 346.475 1.921 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(O)c1 ZINC000361123591 152313040 /nfs/dbraw/zinc/31/30/40/152313040.db2.gz GUGIDROBESPFRE-GDBMZVCRSA-N 2 2 346.475 1.921 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000361136563 152317912 /nfs/dbraw/zinc/31/79/12/152317912.db2.gz QGPQNFZUNZZKKE-HIFRSBDPSA-N 2 2 326.437 1.335 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370151169 155351946 /nfs/dbraw/zinc/35/19/46/155351946.db2.gz UYCBUJZFTNSFCM-PKOBYXMFSA-N 2 2 344.503 1.891 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370151169 155351950 /nfs/dbraw/zinc/35/19/50/155351950.db2.gz UYCBUJZFTNSFCM-PKOBYXMFSA-N 2 2 344.503 1.891 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000417178858 304380963 /nfs/dbraw/zinc/38/09/63/304380963.db2.gz NEXOBYWSFHXUMI-SZMVWBNQSA-N 2 2 346.475 1.357 20 0 EDADLP CC(C)NC(=O)C[N@@H+]1CCCN(c2cc[nH+]c3ccncc32)CC1 ZINC000363614078 153014095 /nfs/dbraw/zinc/01/40/95/153014095.db2.gz PRMJZENEGFHCKS-UHFFFAOYSA-N 2 2 327.432 1.667 20 0 EDADLP CC(C)NC(=O)C[N@H+]1CCCN(c2cc[nH+]c3ccncc32)CC1 ZINC000363614078 153014096 /nfs/dbraw/zinc/01/40/96/153014096.db2.gz PRMJZENEGFHCKS-UHFFFAOYSA-N 2 2 327.432 1.667 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000363971015 153110929 /nfs/dbraw/zinc/11/09/29/153110929.db2.gz XNKAXMZNALGVGD-HNNXBMFYSA-N 2 2 339.443 1.615 20 0 EDADLP CC1CC[NH+](CCNC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000364163477 153160876 /nfs/dbraw/zinc/16/08/76/153160876.db2.gz YONDHJIAVUNKFI-INIZCTEOSA-N 2 2 333.480 1.819 20 0 EDADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000364255207 153188227 /nfs/dbraw/zinc/18/82/27/153188227.db2.gz IVHUKQNTKBCYEQ-MJGOQNOKSA-N 2 2 345.487 1.969 20 0 EDADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000364577067 153277069 /nfs/dbraw/zinc/27/70/69/153277069.db2.gz CGJQUJNMGJORPA-HKUYNNGSSA-N 2 2 329.444 1.209 20 0 EDADLP C[C@@H]([NH2+]Cc1nnc2n1CCOC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364582082 153278428 /nfs/dbraw/zinc/27/84/28/153278428.db2.gz RXZIGHSYEZXCJK-WBVHZDCISA-N 2 2 341.459 1.809 20 0 EDADLP C[C@@H]([NH2+]Cc1nnc2n1CCOC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364582082 153278431 /nfs/dbraw/zinc/27/84/31/153278431.db2.gz RXZIGHSYEZXCJK-WBVHZDCISA-N 2 2 341.459 1.809 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)CCn1cc[nH+]c1 ZINC000364718561 153313302 /nfs/dbraw/zinc/31/33/02/153313302.db2.gz WMKGVWPXMGJXPC-MAUKXSAKSA-N 2 2 344.463 1.548 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)CCn1cc[nH+]c1 ZINC000364718561 153313306 /nfs/dbraw/zinc/31/33/06/153313306.db2.gz WMKGVWPXMGJXPC-MAUKXSAKSA-N 2 2 344.463 1.548 20 0 EDADLP C[NH2+]CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417210485 304384647 /nfs/dbraw/zinc/38/46/47/304384647.db2.gz DCZKKSAKFZAFFI-UHFFFAOYSA-N 2 2 326.198 1.115 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C12CCC2 ZINC000344115382 286385646 /nfs/dbraw/zinc/38/56/46/286385646.db2.gz XEUBCIXDHXPMPE-IXDOHACOSA-N 2 2 337.508 1.866 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C12CCC2 ZINC000344115382 286385648 /nfs/dbraw/zinc/38/56/48/286385648.db2.gz XEUBCIXDHXPMPE-IXDOHACOSA-N 2 2 337.508 1.866 20 0 EDADLP CS(=O)(=O)N1CC[C@H](C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000367274396 154062900 /nfs/dbraw/zinc/06/29/00/154062900.db2.gz MCDVLGQVKPEFOB-HUUCEWRRSA-N 2 2 338.477 1.097 20 0 EDADLP CC(C)C(C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)C(C)C ZINC000367428192 154116420 /nfs/dbraw/zinc/11/64/20/154116420.db2.gz CLXOFZHTQLDVBB-SFHVURJKSA-N 2 2 339.524 1.827 20 0 EDADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)CCO1 ZINC000367911684 154323006 /nfs/dbraw/zinc/32/30/06/154323006.db2.gz POUCMDOWBUAKEP-JSGCOSHPSA-N 2 2 340.386 1.111 20 0 EDADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)CCO1 ZINC000367911684 154323010 /nfs/dbraw/zinc/32/30/10/154323010.db2.gz POUCMDOWBUAKEP-JSGCOSHPSA-N 2 2 340.386 1.111 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1cccnc1 ZINC000367990545 154357272 /nfs/dbraw/zinc/35/72/72/154357272.db2.gz RFMKXIVQVGVOOF-WBVHZDCISA-N 2 2 332.448 1.055 20 0 EDADLP C[C@H](O)c1ncc(C[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)s1 ZINC000368015253 154369716 /nfs/dbraw/zinc/36/97/16/154369716.db2.gz CLCBDSKPFJIAFF-GZBFAFLISA-N 2 2 325.478 1.787 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000368028561 154375234 /nfs/dbraw/zinc/37/52/34/154375234.db2.gz DMRUEGJKCQJFSI-YJBOKZPZSA-N 2 2 330.432 1.633 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417326630 304392119 /nfs/dbraw/zinc/39/21/19/304392119.db2.gz KRUNXXCHWUIHBY-HZSPNIEDSA-N 2 2 332.439 1.651 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417326630 304392121 /nfs/dbraw/zinc/39/21/21/304392121.db2.gz KRUNXXCHWUIHBY-HZSPNIEDSA-N 2 2 332.439 1.651 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369636544 155117500 /nfs/dbraw/zinc/11/75/00/155117500.db2.gz FJNMGKRCWSPUCA-CQSZACIVSA-N 2 2 336.480 1.675 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369636544 155117503 /nfs/dbraw/zinc/11/75/03/155117503.db2.gz FJNMGKRCWSPUCA-CQSZACIVSA-N 2 2 336.480 1.675 20 0 EDADLP COc1cccc(CCC[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1 ZINC000371638182 156041414 /nfs/dbraw/zinc/04/14/14/156041414.db2.gz PDIGTJSFXOEMPI-UHFFFAOYSA-N 2 2 345.487 1.866 20 0 EDADLP COc1cccc(CCC[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1 ZINC000371638182 156041419 /nfs/dbraw/zinc/04/14/19/156041419.db2.gz PDIGTJSFXOEMPI-UHFFFAOYSA-N 2 2 345.487 1.866 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371894967 156156976 /nfs/dbraw/zinc/15/69/76/156156976.db2.gz VUJOJLWSRUXVAO-MRXNPFEDSA-N 3 2 345.491 1.388 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371894967 156156981 /nfs/dbraw/zinc/15/69/81/156156981.db2.gz VUJOJLWSRUXVAO-MRXNPFEDSA-N 3 2 345.491 1.388 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371894967 156156986 /nfs/dbraw/zinc/15/69/86/156156986.db2.gz VUJOJLWSRUXVAO-MRXNPFEDSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000372333488 156339881 /nfs/dbraw/zinc/33/98/81/156339881.db2.gz OMVHHGAAXGNGGF-UHFFFAOYSA-N 2 2 348.472 1.863 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000372333488 156339884 /nfs/dbraw/zinc/33/98/84/156339884.db2.gz OMVHHGAAXGNGGF-UHFFFAOYSA-N 2 2 348.472 1.863 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C(N)=S)cc3)C2)CC1 ZINC000373934371 157072651 /nfs/dbraw/zinc/07/26/51/157072651.db2.gz OEQQFMGWNBWPHU-OAHLLOKOSA-N 2 2 346.500 1.219 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C(N)=S)cc3)C2)CC1 ZINC000373934371 157072655 /nfs/dbraw/zinc/07/26/55/157072655.db2.gz OEQQFMGWNBWPHU-OAHLLOKOSA-N 2 2 346.500 1.219 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210884 157196491 /nfs/dbraw/zinc/19/64/91/157196491.db2.gz WZJSVZHUPCLHQW-UHFFFAOYSA-N 2 2 331.420 1.454 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC(=O)NC1CCCCC1 ZINC000374211328 157196526 /nfs/dbraw/zinc/19/65/26/157196526.db2.gz ZSWRSMLBUOPSNH-UHFFFAOYSA-N 2 2 333.436 1.748 20 0 EDADLP COCc1nc(C)cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000374253514 157213544 /nfs/dbraw/zinc/21/35/44/157213544.db2.gz IKBAHWGCWWMICP-OAHLLOKOSA-N 2 2 333.480 1.536 20 0 EDADLP COCc1nc(C)cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000374253514 157213547 /nfs/dbraw/zinc/21/35/47/157213547.db2.gz IKBAHWGCWWMICP-OAHLLOKOSA-N 2 2 333.480 1.536 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2F)CCN1C1CC[NH+](C)CC1 ZINC000374608363 157343815 /nfs/dbraw/zinc/34/38/15/157343815.db2.gz WPIUAQSJZXFRPW-DNVCBOLYSA-N 2 2 335.467 1.959 20 0 EDADLP CO[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000374681754 157365792 /nfs/dbraw/zinc/36/57/92/157365792.db2.gz WIERHVGNPBKDDB-KRWDZBQOSA-N 2 2 346.475 1.621 20 0 EDADLP CO[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000374681754 157365799 /nfs/dbraw/zinc/36/57/99/157365799.db2.gz WIERHVGNPBKDDB-KRWDZBQOSA-N 2 2 346.475 1.621 20 0 EDADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)o1 ZINC000374744270 157386046 /nfs/dbraw/zinc/38/60/46/157386046.db2.gz QWAAPVOKHDURIL-WBVHZDCISA-N 2 2 349.475 1.816 20 0 EDADLP C[NH+]1CCC(C)(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000374770991 157394798 /nfs/dbraw/zinc/39/47/98/157394798.db2.gz INFAKVPUNLBAFK-UHFFFAOYSA-N 2 2 342.447 1.798 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000378107279 158079275 /nfs/dbraw/zinc/07/92/75/158079275.db2.gz YXCZYJMDVMEYRS-OAHLLOKOSA-N 2 2 347.463 1.021 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000378107279 158079276 /nfs/dbraw/zinc/07/92/76/158079276.db2.gz YXCZYJMDVMEYRS-OAHLLOKOSA-N 2 2 347.463 1.021 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000378180107 158101341 /nfs/dbraw/zinc/10/13/41/158101341.db2.gz QFSICVJBURNQRO-DOTOQJQBSA-N 2 2 332.448 1.976 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000378180107 158101343 /nfs/dbraw/zinc/10/13/43/158101343.db2.gz QFSICVJBURNQRO-DOTOQJQBSA-N 2 2 332.448 1.976 20 0 EDADLP Cc1cc(N2CCC(NC(=O)c3csc(C[NH3+])n3)CC2)nc[nH+]1 ZINC000378200436 158106371 /nfs/dbraw/zinc/10/63/71/158106371.db2.gz DBIYDUFMORIFRC-UHFFFAOYSA-N 2 2 332.433 1.099 20 0 EDADLP COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000378485376 158187743 /nfs/dbraw/zinc/18/77/43/158187743.db2.gz ZZPXFXJXZUHRJT-HUUCEWRRSA-N 2 2 333.432 1.911 20 0 EDADLP COC(=O)C1=C(C)O[C@@H](C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000378485376 158187745 /nfs/dbraw/zinc/18/77/45/158187745.db2.gz ZZPXFXJXZUHRJT-HUUCEWRRSA-N 2 2 333.432 1.911 20 0 EDADLP CCOC(=O)c1ccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)o1 ZINC000378588620 158215989 /nfs/dbraw/zinc/21/59/89/158215989.db2.gz CRJFTBDVSKOQIO-UHFFFAOYSA-N 2 2 349.431 1.195 20 0 EDADLP CCOC(=O)c1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)o1 ZINC000378588620 158215991 /nfs/dbraw/zinc/21/59/91/158215991.db2.gz CRJFTBDVSKOQIO-UHFFFAOYSA-N 2 2 349.431 1.195 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408459916 158367248 /nfs/dbraw/zinc/36/72/48/158367248.db2.gz ZVJPVMKHNITOJJ-BZUAXINKSA-N 2 2 331.526 1.699 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408459916 158367249 /nfs/dbraw/zinc/36/72/49/158367249.db2.gz ZVJPVMKHNITOJJ-BZUAXINKSA-N 2 2 331.526 1.699 20 0 EDADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352405165 162167175 /nfs/dbraw/zinc/16/71/75/162167175.db2.gz GXRKFCZUZLWZHL-GBMAXXPESA-N 2 2 341.499 1.900 20 0 EDADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352405165 162167179 /nfs/dbraw/zinc/16/71/79/162167179.db2.gz GXRKFCZUZLWZHL-GBMAXXPESA-N 2 2 341.499 1.900 20 0 EDADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000352833164 162259328 /nfs/dbraw/zinc/25/93/28/162259328.db2.gz XPDLRRKDQPUQFU-SOUVJXGZSA-N 2 2 338.452 1.339 20 0 EDADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000352833164 162259332 /nfs/dbraw/zinc/25/93/32/162259332.db2.gz XPDLRRKDQPUQFU-SOUVJXGZSA-N 2 2 338.452 1.339 20 0 EDADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366121312 162369895 /nfs/dbraw/zinc/36/98/95/162369895.db2.gz CWGRCWYGRFSSGP-IBGZPJMESA-N 2 2 343.471 1.829 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCCn3cc[nH+]c32)C[C@H]1[NH+]1CCOCC1 ZINC000370000534 287155843 /nfs/dbraw/zinc/15/58/43/287155843.db2.gz YPRGWUKMYSJDDZ-BZUAXINKSA-N 2 2 332.448 1.330 20 0 EDADLP CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1C[C@@H](C)O ZINC000268202268 287179428 /nfs/dbraw/zinc/17/94/28/287179428.db2.gz YWGRLWRDDLWAMO-UKRRQHHQSA-N 2 2 339.505 1.727 20 0 EDADLP CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1C[C@@H](C)O ZINC000268202268 287179430 /nfs/dbraw/zinc/17/94/30/287179430.db2.gz YWGRLWRDDLWAMO-UKRRQHHQSA-N 2 2 339.505 1.727 20 0 EDADLP Cc1cnc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000074758018 287273175 /nfs/dbraw/zinc/27/31/75/287273175.db2.gz XHOVBJMVJMOPDR-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP Cc1cnc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000074758018 287273179 /nfs/dbraw/zinc/27/31/79/287273179.db2.gz XHOVBJMVJMOPDR-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000237793050 292580872 /nfs/dbraw/zinc/58/08/72/292580872.db2.gz JBURLLQDJJQDSC-AZUAARDMSA-N 2 2 345.487 1.874 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158535952 225037011 /nfs/dbraw/zinc/03/70/11/225037011.db2.gz MAZVVJHLGWCTOI-MJGOQNOKSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158535952 225037015 /nfs/dbraw/zinc/03/70/15/225037015.db2.gz MAZVVJHLGWCTOI-MJGOQNOKSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158535952 225037017 /nfs/dbraw/zinc/03/70/17/225037017.db2.gz MAZVVJHLGWCTOI-MJGOQNOKSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158535952 225037020 /nfs/dbraw/zinc/03/70/20/225037020.db2.gz MAZVVJHLGWCTOI-MJGOQNOKSA-N 2 2 345.487 1.865 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000120437135 287360897 /nfs/dbraw/zinc/36/08/97/287360897.db2.gz FKPCZXHRWAFYGU-UHFFFAOYSA-N 2 2 337.468 1.416 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122415055 287379960 /nfs/dbraw/zinc/37/99/60/287379960.db2.gz ZJUUTBZJMIIFDL-QLFBSQMISA-N 2 2 326.485 1.268 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000122415055 287379962 /nfs/dbraw/zinc/37/99/62/287379962.db2.gz ZJUUTBZJMIIFDL-QLFBSQMISA-N 2 2 326.485 1.268 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000418391714 304489844 /nfs/dbraw/zinc/48/98/44/304489844.db2.gz CNIDEOBEGXSZQB-MRXNPFEDSA-N 2 2 336.867 1.905 20 0 EDADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000123594617 222302735 /nfs/dbraw/zinc/30/27/35/222302735.db2.gz VKQVNTOFESHLOQ-KRWDZBQOSA-N 2 2 349.410 1.123 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123650068 222310683 /nfs/dbraw/zinc/31/06/83/222310683.db2.gz FNDVZVIGSIFQCJ-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123650068 222310684 /nfs/dbraw/zinc/31/06/84/222310684.db2.gz FNDVZVIGSIFQCJ-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123650068 222310689 /nfs/dbraw/zinc/31/06/89/222310689.db2.gz FNDVZVIGSIFQCJ-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123650068 222310690 /nfs/dbraw/zinc/31/06/90/222310690.db2.gz FNDVZVIGSIFQCJ-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP Cc1[nH+]cn(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000171667218 227206792 /nfs/dbraw/zinc/20/67/92/227206792.db2.gz QWVGZBNPZRPPRH-UHFFFAOYSA-N 2 2 328.416 1.971 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NCCCCNc1cccc[nH+]1 ZINC000171807481 227291803 /nfs/dbraw/zinc/29/18/03/227291803.db2.gz LUWDRIQFGQNBFI-UHFFFAOYSA-N 2 2 334.464 1.892 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000418448696 304496268 /nfs/dbraw/zinc/49/62/68/304496268.db2.gz JJHJOQPJYWSCDD-IAGOWNOFSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000418470420 304499534 /nfs/dbraw/zinc/49/95/34/304499534.db2.gz LIBCORQUCGRCPU-ZIAGYGMSSA-N 2 2 340.493 1.358 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3(C[NH3+])CCCC3)c[nH+]2)C[C@H](C)O1 ZINC000237659894 273011724 /nfs/dbraw/zinc/01/17/24/273011724.db2.gz DSRLYTCPGZCZSL-GASCZTMLSA-N 2 2 346.475 1.831 20 0 EDADLP Cn1cc(N2CC[C@@H]([N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C2=O)cn1 ZINC000261766396 273017353 /nfs/dbraw/zinc/01/73/53/273017353.db2.gz OMRKHEACUVYNOM-BPQIPLTHSA-N 2 2 339.443 1.200 20 0 EDADLP Cn1cc(N2CC[C@@H]([N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C2=O)cn1 ZINC000261766396 273017354 /nfs/dbraw/zinc/01/73/54/273017354.db2.gz OMRKHEACUVYNOM-BPQIPLTHSA-N 2 2 339.443 1.200 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000189374485 267774932 /nfs/dbraw/zinc/77/49/32/267774932.db2.gz SWAMWEHQORILHQ-HOTGVXAUSA-N 2 2 328.501 1.469 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000275880378 268381101 /nfs/dbraw/zinc/38/11/01/268381101.db2.gz GZOAJVRZHVUWJV-JKSUJKDBSA-N 2 2 331.464 1.384 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000275880378 268381103 /nfs/dbraw/zinc/38/11/03/268381103.db2.gz GZOAJVRZHVUWJV-JKSUJKDBSA-N 2 2 331.464 1.384 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000275880378 268381105 /nfs/dbraw/zinc/38/11/05/268381105.db2.gz GZOAJVRZHVUWJV-JKSUJKDBSA-N 2 2 331.464 1.384 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000275880378 268381107 /nfs/dbraw/zinc/38/11/07/268381107.db2.gz GZOAJVRZHVUWJV-JKSUJKDBSA-N 2 2 331.464 1.384 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)ccc2[nH+]1 ZINC000275711991 273120969 /nfs/dbraw/zinc/12/09/69/273120969.db2.gz QGKVATFDMBCXCG-CQSZACIVSA-N 2 2 343.431 1.381 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)ccc2[nH+]1 ZINC000275711991 273120970 /nfs/dbraw/zinc/12/09/70/273120970.db2.gz QGKVATFDMBCXCG-CQSZACIVSA-N 2 2 343.431 1.381 20 0 EDADLP Cn1ncc2c1nc(NCc1ccc(CC[NH+](C)C)cc1)[nH+]c2N ZINC000278061818 273245320 /nfs/dbraw/zinc/24/53/20/273245320.db2.gz SEZKAEGQASGBHT-UHFFFAOYSA-N 2 2 325.420 1.662 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000278241998 273256064 /nfs/dbraw/zinc/25/60/64/273256064.db2.gz TYLHUNIZUFFWCM-DZGCQCFKSA-N 2 2 336.823 1.643 20 0 EDADLP C[C@H](O)C[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)CO ZINC000283915899 274009618 /nfs/dbraw/zinc/00/96/18/274009618.db2.gz CBGXMGFEHDMQLU-JENIJYKNSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](O)C[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)CO ZINC000283915899 274009619 /nfs/dbraw/zinc/00/96/19/274009619.db2.gz CBGXMGFEHDMQLU-JENIJYKNSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](O)C[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](C)CO ZINC000283915899 274009620 /nfs/dbraw/zinc/00/96/20/274009620.db2.gz CBGXMGFEHDMQLU-JENIJYKNSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](O)C[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](C)CO ZINC000283915899 274009622 /nfs/dbraw/zinc/00/96/22/274009622.db2.gz CBGXMGFEHDMQLU-JENIJYKNSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H]1NC(=O)CC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285373774 274522316 /nfs/dbraw/zinc/52/23/16/274522316.db2.gz RKJRBQQOMIGYEW-SJLPKXTDSA-N 2 2 330.476 1.455 20 0 EDADLP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285782726 274648043 /nfs/dbraw/zinc/64/80/43/274648043.db2.gz XJGCEODDEYJESQ-RTBURBONSA-N 2 2 344.503 1.832 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000253554333 287824162 /nfs/dbraw/zinc/82/41/62/287824162.db2.gz AMGCHJLFOXYGBQ-OAGGEKHMSA-N 2 2 348.466 1.545 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)CC1 ZINC000331658669 276150211 /nfs/dbraw/zinc/15/02/11/276150211.db2.gz XYSCVTXSZGPGSN-ROUUACIJSA-N 2 2 349.450 1.534 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)CC1 ZINC000331658669 276150212 /nfs/dbraw/zinc/15/02/12/276150212.db2.gz XYSCVTXSZGPGSN-ROUUACIJSA-N 2 2 349.450 1.534 20 0 EDADLP COC(=O)c1occc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000343909068 277173271 /nfs/dbraw/zinc/17/32/71/277173271.db2.gz JWXGHBXMSFLEOM-AWEZNQCLSA-N 2 2 337.420 1.099 20 0 EDADLP COC(=O)c1occc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000343909068 277173273 /nfs/dbraw/zinc/17/32/73/277173273.db2.gz JWXGHBXMSFLEOM-AWEZNQCLSA-N 2 2 337.420 1.099 20 0 EDADLP COC(=O)[C@H](C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC1 ZINC000191646229 277382061 /nfs/dbraw/zinc/38/20/61/277382061.db2.gz LBHQTFLEVQSUIA-AWEZNQCLSA-N 2 2 347.463 1.144 20 0 EDADLP COC(=O)[C@H](C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC1 ZINC000191646229 277382062 /nfs/dbraw/zinc/38/20/62/277382062.db2.gz LBHQTFLEVQSUIA-AWEZNQCLSA-N 2 2 347.463 1.144 20 0 EDADLP C[C@H](c1nnnn1C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000249286310 278316898 /nfs/dbraw/zinc/31/68/98/278316898.db2.gz LQPABGMLXLBCSX-QLFBSQMISA-N 2 2 336.484 1.482 20 0 EDADLP C[C@H](c1nnnn1C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000249286310 278316899 /nfs/dbraw/zinc/31/68/99/278316899.db2.gz LQPABGMLXLBCSX-QLFBSQMISA-N 2 2 336.484 1.482 20 0 EDADLP C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000286611513 288045710 /nfs/dbraw/zinc/04/57/10/288045710.db2.gz BVNSMMKZDKQARM-ZHALLVOQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000286611513 288045711 /nfs/dbraw/zinc/04/57/11/288045711.db2.gz BVNSMMKZDKQARM-ZHALLVOQSA-N 2 2 345.487 1.829 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[C@H]1O ZINC000286713685 288068087 /nfs/dbraw/zinc/06/80/87/288068087.db2.gz WWORVCHBVKKCIB-QZTJIDSGSA-N 2 2 331.460 1.176 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[C@H]1O ZINC000286713685 288068090 /nfs/dbraw/zinc/06/80/90/288068090.db2.gz WWORVCHBVKKCIB-QZTJIDSGSA-N 2 2 331.460 1.176 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000345102067 279126799 /nfs/dbraw/zinc/12/67/99/279126799.db2.gz HEULVKPMVUTVNM-GVDBMIGSSA-N 2 2 340.512 1.467 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000336855110 279374697 /nfs/dbraw/zinc/37/46/97/279374697.db2.gz GQKQGPWNRJQECU-AWEZNQCLSA-N 2 2 325.478 1.499 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000336855110 279374701 /nfs/dbraw/zinc/37/47/01/279374701.db2.gz GQKQGPWNRJQECU-AWEZNQCLSA-N 2 2 325.478 1.499 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000287152879 288167909 /nfs/dbraw/zinc/16/79/09/288167909.db2.gz LZFISUQGQJIWTM-CABCVRRESA-N 2 2 347.463 1.105 20 0 EDADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc(C)n1 ZINC000329598835 280348648 /nfs/dbraw/zinc/34/86/48/280348648.db2.gz PTRPWRVHCARABA-UHFFFAOYSA-N 2 2 345.491 1.774 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000422244569 282047270 /nfs/dbraw/zinc/04/72/70/282047270.db2.gz MCPLFEVIEHTXDL-JCYILVPMSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000376293299 288522884 /nfs/dbraw/zinc/52/28/84/288522884.db2.gz JXUSRRMVLBLMJD-IAGOWNOFSA-N 2 2 338.496 1.223 20 0 EDADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000290027491 288824899 /nfs/dbraw/zinc/82/48/99/288824899.db2.gz RPDOTKGUHSJSJI-ZWKOTPCHSA-N 2 2 331.460 1.598 20 0 EDADLP CCOCCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422008245 447305714 /nfs/dbraw/zinc/30/57/14/447305714.db2.gz PEMTYFKVVMXBLX-UHFFFAOYSA-N 2 2 325.497 1.822 20 0 EDADLP CCOCCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422008245 447305717 /nfs/dbraw/zinc/30/57/17/447305717.db2.gz PEMTYFKVVMXBLX-UHFFFAOYSA-N 2 2 325.497 1.822 20 0 EDADLP CN(CCCN(C)C(=O)c1ccc(C[NH+](C)C)nc1)CC[NH+](C)C ZINC000494841580 289132085 /nfs/dbraw/zinc/13/20/85/289132085.db2.gz DMGUUVPFJXNHML-UHFFFAOYSA-N 2 2 335.496 1.099 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)C1 ZINC000292066276 289253288 /nfs/dbraw/zinc/25/32/88/289253288.db2.gz KMXNUSNTRIKHCL-VQIMIIECSA-N 2 2 327.428 1.342 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)C1 ZINC000292066276 289253289 /nfs/dbraw/zinc/25/32/89/289253289.db2.gz KMXNUSNTRIKHCL-VQIMIIECSA-N 2 2 327.428 1.342 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)C1 ZINC000292066276 289253292 /nfs/dbraw/zinc/25/32/92/289253292.db2.gz KMXNUSNTRIKHCL-VQIMIIECSA-N 2 2 327.428 1.342 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)C2)C1 ZINC000292066276 289253295 /nfs/dbraw/zinc/25/32/95/289253295.db2.gz KMXNUSNTRIKHCL-VQIMIIECSA-N 2 2 327.428 1.342 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292138021 289270832 /nfs/dbraw/zinc/27/08/32/289270832.db2.gz MAMFKVVAMJICQF-OXJNMPFZSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292138021 289270833 /nfs/dbraw/zinc/27/08/33/289270833.db2.gz MAMFKVVAMJICQF-OXJNMPFZSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292138021 289270834 /nfs/dbraw/zinc/27/08/34/289270834.db2.gz MAMFKVVAMJICQF-OXJNMPFZSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292138021 289270835 /nfs/dbraw/zinc/27/08/35/289270835.db2.gz MAMFKVVAMJICQF-OXJNMPFZSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000338149924 289275482 /nfs/dbraw/zinc/27/54/82/289275482.db2.gz LSJCYZVCSNKEKL-INIZCTEOSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+]1CCOCC1 ZINC000343551656 289277266 /nfs/dbraw/zinc/27/72/66/289277266.db2.gz UHPCXMLWIJYDSK-QZTJIDSGSA-N 2 2 337.508 1.822 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccsc1 ZINC000413105973 289281543 /nfs/dbraw/zinc/28/15/43/289281543.db2.gz OBKAGVGLTBDRGB-ZNMIVQPWSA-N 2 2 338.477 1.075 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccsc1 ZINC000413105973 289281548 /nfs/dbraw/zinc/28/15/48/289281548.db2.gz OBKAGVGLTBDRGB-ZNMIVQPWSA-N 2 2 338.477 1.075 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21)[NH+]1CCSCC1 ZINC000372151600 289318440 /nfs/dbraw/zinc/31/84/40/289318440.db2.gz XQCMJYGTDGZDFJ-CABCVRRESA-N 2 2 349.500 1.780 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000250289899 289336840 /nfs/dbraw/zinc/33/68/40/289336840.db2.gz QIZSNBNIDFOYEU-YESZJQIVSA-N 2 2 338.540 1.780 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000418345147 290107342 /nfs/dbraw/zinc/10/73/42/290107342.db2.gz LBIMUFQMIMNMJL-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000418345147 290107344 /nfs/dbraw/zinc/10/73/44/290107344.db2.gz LBIMUFQMIMNMJL-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000341435001 290203332 /nfs/dbraw/zinc/20/33/32/290203332.db2.gz SUMUGBQMMSPFHV-GVDBMIGSSA-N 2 2 338.496 1.365 20 0 EDADLP CO[C@@H](C)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000341092350 293415292 /nfs/dbraw/zinc/41/52/92/293415292.db2.gz UDFJOPBTZZDBRM-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP Cc1ocnc1CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367646960 294059608 /nfs/dbraw/zinc/05/96/08/294059608.db2.gz VWYXKKICLIIHBE-ZDUSSCGKSA-N 2 2 335.452 1.293 20 0 EDADLP Cc1ocnc1CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367646960 294059615 /nfs/dbraw/zinc/05/96/15/294059615.db2.gz VWYXKKICLIIHBE-ZDUSSCGKSA-N 2 2 335.452 1.293 20 0 EDADLP COc1cc2c(cc1OC)CN(CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000422761252 295040185 /nfs/dbraw/zinc/04/01/85/295040185.db2.gz LSKMBAFMOHSSOT-PBHICJAKSA-N 2 2 333.476 1.792 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCN[C@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000422761252 295040190 /nfs/dbraw/zinc/04/01/90/295040190.db2.gz LSKMBAFMOHSSOT-PBHICJAKSA-N 2 2 333.476 1.792 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCN[C@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000422761252 295040193 /nfs/dbraw/zinc/04/01/93/295040193.db2.gz LSKMBAFMOHSSOT-PBHICJAKSA-N 2 2 333.476 1.792 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000376263942 297264828 /nfs/dbraw/zinc/26/48/28/297264828.db2.gz FCARDHNKKKWHMR-GDBMZVCRSA-N 2 2 347.463 1.152 20 0 EDADLP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000347527478 304537780 /nfs/dbraw/zinc/53/77/80/304537780.db2.gz RSBBRJLNWKYNIA-SFHVURJKSA-N 2 2 329.444 1.617 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000331282230 298037487 /nfs/dbraw/zinc/03/74/87/298037487.db2.gz VPHBGVXFKUYYQW-OWCLPIDISA-N 2 2 338.496 1.955 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000331282230 298037488 /nfs/dbraw/zinc/03/74/88/298037488.db2.gz VPHBGVXFKUYYQW-OWCLPIDISA-N 2 2 338.496 1.955 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000331282230 298037490 /nfs/dbraw/zinc/03/74/90/298037490.db2.gz VPHBGVXFKUYYQW-OWCLPIDISA-N 2 2 338.496 1.955 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000331282230 298037491 /nfs/dbraw/zinc/03/74/91/298037491.db2.gz VPHBGVXFKUYYQW-OWCLPIDISA-N 2 2 338.496 1.955 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369601664 298121233 /nfs/dbraw/zinc/12/12/33/298121233.db2.gz LUDMWQMOQRJSCR-LXTVHRRPSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369601664 298121236 /nfs/dbraw/zinc/12/12/36/298121236.db2.gz LUDMWQMOQRJSCR-LXTVHRRPSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369601664 298121239 /nfs/dbraw/zinc/12/12/39/298121239.db2.gz LUDMWQMOQRJSCR-LXTVHRRPSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369601664 298121243 /nfs/dbraw/zinc/12/12/43/298121243.db2.gz LUDMWQMOQRJSCR-LXTVHRRPSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152478011 298123998 /nfs/dbraw/zinc/12/39/98/298123998.db2.gz UFUXNHFSJMRTNZ-GHMZBOCLSA-N 2 2 338.374 1.037 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152478011 298124000 /nfs/dbraw/zinc/12/40/00/298124000.db2.gz UFUXNHFSJMRTNZ-GHMZBOCLSA-N 2 2 338.374 1.037 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152478011 298124002 /nfs/dbraw/zinc/12/40/02/298124002.db2.gz UFUXNHFSJMRTNZ-GHMZBOCLSA-N 2 2 338.374 1.037 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152478011 298124004 /nfs/dbraw/zinc/12/40/04/298124004.db2.gz UFUXNHFSJMRTNZ-GHMZBOCLSA-N 2 2 338.374 1.037 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215506 453137199 /nfs/dbraw/zinc/13/71/99/453137199.db2.gz KRYCQUCWSDEQRW-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215506 453137208 /nfs/dbraw/zinc/13/72/08/453137208.db2.gz KRYCQUCWSDEQRW-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)n1C ZINC000419740780 304676874 /nfs/dbraw/zinc/67/68/74/304676874.db2.gz BSSAJFSCPZYQSA-LBPRGKRZSA-N 2 2 331.395 1.520 20 0 EDADLP C[C@H]1N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCOC1(C)C ZINC000340256860 300554819 /nfs/dbraw/zinc/55/48/19/300554819.db2.gz SJNMOKLNCHBFJA-CQSZACIVSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])[NH+]2CCOCC2)c1 ZINC000417004902 302020377 /nfs/dbraw/zinc/02/03/77/302020377.db2.gz XPCGYMQHMCATBO-NVXWUHKLSA-N 2 2 334.464 1.405 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H](C)[NH2+]C3CC3)CC2)cc1F ZINC000294653822 303132649 /nfs/dbraw/zinc/13/26/49/303132649.db2.gz CCBXEHQUKRWJQW-ZDUSSCGKSA-N 2 2 335.423 1.619 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@H](O)c2cccnc2)C1 ZINC000296100772 303295910 /nfs/dbraw/zinc/29/59/10/303295910.db2.gz XEKZCLMIRIPJLG-HOTGVXAUSA-N 2 2 328.416 1.729 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@H](O)c2cccnc2)C1 ZINC000296100772 303295911 /nfs/dbraw/zinc/29/59/11/303295911.db2.gz XEKZCLMIRIPJLG-HOTGVXAUSA-N 2 2 328.416 1.729 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000298195058 303505495 /nfs/dbraw/zinc/50/54/95/303505495.db2.gz WVFDZCCGVQQXEW-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)S1 ZINC000377739536 447330700 /nfs/dbraw/zinc/33/07/00/447330700.db2.gz RMPNSRZPOUUPQZ-VHDGCEQUSA-N 2 2 336.505 1.258 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298734332 303550322 /nfs/dbraw/zinc/55/03/22/303550322.db2.gz KFDGIMODCNFBCI-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP Cc1nc2ncnn2c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000301331560 303673410 /nfs/dbraw/zinc/67/34/10/303673410.db2.gz BFNIFKMREVWULY-UHFFFAOYSA-N 2 2 343.479 1.712 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NCCc2cn3c([nH+]2)CCCC3)[nH+]cn1 ZINC000301939269 303704099 /nfs/dbraw/zinc/70/40/99/303704099.db2.gz XYLKIEGXLDFRIH-HNNXBMFYSA-N 2 2 342.447 1.625 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000456218242 447336527 /nfs/dbraw/zinc/33/65/27/447336527.db2.gz YPAGBJBRVADBCM-IYBDPMFKSA-N 2 2 342.443 1.708 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000456218242 447336534 /nfs/dbraw/zinc/33/65/34/447336534.db2.gz YPAGBJBRVADBCM-IYBDPMFKSA-N 2 2 342.443 1.708 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)[N@H+]1CCO ZINC000456228087 447341251 /nfs/dbraw/zinc/34/12/51/447341251.db2.gz QRIVBYUKGGBUGB-GASCZTMLSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000456228087 447341255 /nfs/dbraw/zinc/34/12/55/447341255.db2.gz QRIVBYUKGGBUGB-GASCZTMLSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422722963 304879414 /nfs/dbraw/zinc/87/94/14/304879414.db2.gz ZFFCCXRHWGVAHD-SJLPKXTDSA-N 3 2 335.492 1.874 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423079941 304884538 /nfs/dbraw/zinc/88/45/38/304884538.db2.gz YXQNKQDNGOGZTI-QRQLOZEOSA-N 2 2 349.544 1.961 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000423728343 304906429 /nfs/dbraw/zinc/90/64/29/304906429.db2.gz LRVFACSGYIQUEK-MRXNPFEDSA-N 2 2 330.476 1.752 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000423767736 304909204 /nfs/dbraw/zinc/90/92/04/304909204.db2.gz WQZAATXRYJLYML-ZDUSSCGKSA-N 2 2 336.399 1.602 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000428030047 305004368 /nfs/dbraw/zinc/00/43/68/305004368.db2.gz GVGDIILHWLLHHY-GDBMZVCRSA-N 2 2 330.432 1.635 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000428030047 305004369 /nfs/dbraw/zinc/00/43/69/305004369.db2.gz GVGDIILHWLLHHY-GDBMZVCRSA-N 2 2 330.432 1.635 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428037141 305004854 /nfs/dbraw/zinc/00/48/54/305004854.db2.gz SQJNVKGPVOSJLY-HFTRVMKXSA-N 2 2 340.471 1.899 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428037141 305004855 /nfs/dbraw/zinc/00/48/55/305004855.db2.gz SQJNVKGPVOSJLY-HFTRVMKXSA-N 2 2 340.471 1.899 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428051611 305005771 /nfs/dbraw/zinc/00/57/71/305005771.db2.gz WEPGWVBIPXWLNZ-DOMZBBRYSA-N 2 2 332.404 1.027 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428051611 305005772 /nfs/dbraw/zinc/00/57/72/305005772.db2.gz WEPGWVBIPXWLNZ-DOMZBBRYSA-N 2 2 332.404 1.027 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428052716 305005881 /nfs/dbraw/zinc/00/58/81/305005881.db2.gz ZVIWKYCWJYJZET-FUHWJXTLSA-N 2 2 331.460 1.523 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428052716 305005882 /nfs/dbraw/zinc/00/58/82/305005882.db2.gz ZVIWKYCWJYJZET-FUHWJXTLSA-N 2 2 331.460 1.523 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000428069288 305006571 /nfs/dbraw/zinc/00/65/71/305006571.db2.gz JJWFCNIAOGLTRE-WMZOPIPTSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000428069288 305006572 /nfs/dbraw/zinc/00/65/72/305006572.db2.gz JJWFCNIAOGLTRE-WMZOPIPTSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000428069288 305006573 /nfs/dbraw/zinc/00/65/73/305006573.db2.gz JJWFCNIAOGLTRE-WMZOPIPTSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000428069288 305006574 /nfs/dbraw/zinc/00/65/74/305006574.db2.gz JJWFCNIAOGLTRE-WMZOPIPTSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000428479307 305009687 /nfs/dbraw/zinc/00/96/87/305009687.db2.gz IPVMAEAUBPMZGQ-HOTGVXAUSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000428479307 305009688 /nfs/dbraw/zinc/00/96/88/305009688.db2.gz IPVMAEAUBPMZGQ-HOTGVXAUSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000429168260 305025132 /nfs/dbraw/zinc/02/51/32/305025132.db2.gz BWMAYHZJGZVVKN-IIDMSEBBSA-N 2 2 348.466 1.532 20 0 EDADLP CC[C@H]1OCCC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000429779235 305037004 /nfs/dbraw/zinc/03/70/04/305037004.db2.gz LWVZUNSUIUMRDO-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@H]1OCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000429779235 305037005 /nfs/dbraw/zinc/03/70/05/305037005.db2.gz LWVZUNSUIUMRDO-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)c1OC ZINC000430575121 305056777 /nfs/dbraw/zinc/05/67/77/305056777.db2.gz JWAOYKFQGJKHJE-SFHVURJKSA-N 2 2 337.464 1.625 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430599139 305057856 /nfs/dbraw/zinc/05/78/56/305057856.db2.gz VEMWZSSVDQHYDJ-KXBFYZLASA-N 2 2 347.459 1.392 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)c1OC ZINC000430606620 305058325 /nfs/dbraw/zinc/05/83/25/305058325.db2.gz XAKDHMMIRYUZKA-CQSZACIVSA-N 2 2 335.448 1.333 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1OC ZINC000430606620 305058326 /nfs/dbraw/zinc/05/83/26/305058326.db2.gz XAKDHMMIRYUZKA-CQSZACIVSA-N 2 2 335.448 1.333 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430629701 305060157 /nfs/dbraw/zinc/06/01/57/305060157.db2.gz QPTYUYVCABOFFM-TZMCWYRMSA-N 2 2 348.447 1.651 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430629701 305060158 /nfs/dbraw/zinc/06/01/58/305060158.db2.gz QPTYUYVCABOFFM-TZMCWYRMSA-N 2 2 348.447 1.651 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430649095 305061145 /nfs/dbraw/zinc/06/11/45/305061145.db2.gz HYNPKGVLWRSNMR-CQSZACIVSA-N 2 2 339.867 1.766 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430649095 305061146 /nfs/dbraw/zinc/06/11/46/305061146.db2.gz HYNPKGVLWRSNMR-CQSZACIVSA-N 2 2 339.867 1.766 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000430747254 305063974 /nfs/dbraw/zinc/06/39/74/305063974.db2.gz LDWHVCGPDPYKDV-WBVHZDCISA-N 2 2 335.448 1.168 20 0 EDADLP C[NH2+]C1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000430945767 305069938 /nfs/dbraw/zinc/06/99/38/305069938.db2.gz SPLMHEXPXKCGTB-UHFFFAOYSA-N 2 2 336.505 1.076 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000430949599 305070151 /nfs/dbraw/zinc/07/01/51/305070151.db2.gz DNKQTQKLPLGQCE-ZNMIVQPWSA-N 2 2 347.459 1.565 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000430949599 305070152 /nfs/dbraw/zinc/07/01/52/305070152.db2.gz DNKQTQKLPLGQCE-ZNMIVQPWSA-N 2 2 347.459 1.565 20 0 EDADLP C[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)CC[C@H]1[NH3+] ZINC000430958544 305070811 /nfs/dbraw/zinc/07/08/11/305070811.db2.gz SQSRCGSIADBDKQ-TZMCWYRMSA-N 2 2 337.493 1.347 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430957841 305070887 /nfs/dbraw/zinc/07/08/87/305070887.db2.gz VDRLKMREBMSAPH-INIZCTEOSA-N 2 2 333.476 1.771 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430957841 305070888 /nfs/dbraw/zinc/07/08/88/305070888.db2.gz VDRLKMREBMSAPH-INIZCTEOSA-N 2 2 333.476 1.771 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)c3ccc(C[NH3+])cc3)CCCC2)no1 ZINC000431035420 305073301 /nfs/dbraw/zinc/07/33/01/305073301.db2.gz ALUFQKSZWRQMOR-UHFFFAOYSA-N 2 2 343.431 1.789 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000432904773 305097481 /nfs/dbraw/zinc/09/74/81/305097481.db2.gz YWEZERTUMDYJOA-GOEBONIOSA-N 2 2 337.468 1.671 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000433978232 305116333 /nfs/dbraw/zinc/11/63/33/305116333.db2.gz ZILMVMYKJSHGJL-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2nc[nH+]c(N)c2Cl)CC1 ZINC000434097678 305117860 /nfs/dbraw/zinc/11/78/60/305117860.db2.gz KXQTYFKCXSZSPC-UHFFFAOYSA-N 2 2 326.832 1.067 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000434387557 305121549 /nfs/dbraw/zinc/12/15/49/305121549.db2.gz UZZXYXVAEPLSQT-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434427314 305122379 /nfs/dbraw/zinc/12/23/79/305122379.db2.gz ZXYYYBRAIAJNET-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434427314 305122380 /nfs/dbraw/zinc/12/23/80/305122380.db2.gz ZXYYYBRAIAJNET-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1[nH+]ccn1CCCCNc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000435353607 305138895 /nfs/dbraw/zinc/13/88/95/305138895.db2.gz MKTGFRZHKZEPSD-OAHLLOKOSA-N 2 2 330.436 1.309 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435625842 305143891 /nfs/dbraw/zinc/14/38/91/305143891.db2.gz MZARYHUYMMZTHS-BRWVUGGUSA-N 2 2 325.497 1.772 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435625842 305143892 /nfs/dbraw/zinc/14/38/92/305143892.db2.gz MZARYHUYMMZTHS-BRWVUGGUSA-N 2 2 325.497 1.772 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000436308231 305155786 /nfs/dbraw/zinc/15/57/86/305155786.db2.gz TWGWZGQIHMUDFI-YLJYHZDGSA-N 3 2 348.535 1.443 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000436711272 305166304 /nfs/dbraw/zinc/16/63/04/305166304.db2.gz GEFNBCSMFPECBE-PBHICJAKSA-N 2 2 331.460 1.927 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000436711272 305166305 /nfs/dbraw/zinc/16/63/05/305166305.db2.gz GEFNBCSMFPECBE-PBHICJAKSA-N 2 2 331.460 1.927 20 0 EDADLP C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000438716767 305188485 /nfs/dbraw/zinc/18/84/85/305188485.db2.gz RXKPDJGMBCZNHN-KRWDZBQOSA-N 2 2 345.487 1.830 20 0 EDADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000439068423 305193564 /nfs/dbraw/zinc/19/35/64/305193564.db2.gz IHMKOUDRANCIHY-CJNGLKHVSA-N 2 2 335.448 1.761 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000441307971 305220566 /nfs/dbraw/zinc/22/05/66/305220566.db2.gz WVTLFDTWFDRUQX-UHFFFAOYSA-N 2 2 326.444 1.715 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441367584 305221509 /nfs/dbraw/zinc/22/15/09/305221509.db2.gz XNCDAFSZCUUQRV-HOCLYGCPSA-N 2 2 343.431 1.675 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000448208821 305293791 /nfs/dbraw/zinc/29/37/91/305293791.db2.gz LJTHCJJDWCUYBM-IAGOWNOFSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000448208821 305293792 /nfs/dbraw/zinc/29/37/92/305293792.db2.gz LJTHCJJDWCUYBM-IAGOWNOFSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000448208821 305293793 /nfs/dbraw/zinc/29/37/93/305293793.db2.gz LJTHCJJDWCUYBM-IAGOWNOFSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000448208821 305293794 /nfs/dbraw/zinc/29/37/94/305293794.db2.gz LJTHCJJDWCUYBM-IAGOWNOFSA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000451153981 305332790 /nfs/dbraw/zinc/33/27/90/305332790.db2.gz IWEGXGYQVGJXQI-FUHWJXTLSA-N 2 2 333.476 1.595 20 0 EDADLP CC[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000451153981 305332791 /nfs/dbraw/zinc/33/27/91/305332791.db2.gz IWEGXGYQVGJXQI-FUHWJXTLSA-N 2 2 333.476 1.595 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N[C@H]3CCC[N@H+](CCCO)C3)cc2n1C ZINC000452384439 305396010 /nfs/dbraw/zinc/39/60/10/305396010.db2.gz RGCODLWVPPBFPJ-HNNXBMFYSA-N 2 2 330.432 1.458 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N[C@H]3CCC[N@@H+](CCCO)C3)cc2n1C ZINC000452384439 305396011 /nfs/dbraw/zinc/39/60/11/305396011.db2.gz RGCODLWVPPBFPJ-HNNXBMFYSA-N 2 2 330.432 1.458 20 0 EDADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000519611216 305771318 /nfs/dbraw/zinc/77/13/18/305771318.db2.gz QRQBLZHLWWRRSG-UHFFFAOYSA-N 2 2 343.387 1.289 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000377798815 447361797 /nfs/dbraw/zinc/36/17/97/447361797.db2.gz NECGPXAIAUBJSV-WCQYABFASA-N 2 2 334.445 1.526 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000377798815 447361800 /nfs/dbraw/zinc/36/18/00/447361800.db2.gz NECGPXAIAUBJSV-WCQYABFASA-N 2 2 334.445 1.526 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529281105 305906650 /nfs/dbraw/zinc/90/66/50/305906650.db2.gz LYSILLRHJUYURD-INIZCTEOSA-N 2 2 335.452 1.073 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580039 306008220 /nfs/dbraw/zinc/00/82/20/306008220.db2.gz NFINRDDCNXLKJT-ZDUSSCGKSA-N 2 2 342.399 1.635 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580039 306008221 /nfs/dbraw/zinc/00/82/21/306008221.db2.gz NFINRDDCNXLKJT-ZDUSSCGKSA-N 2 2 342.399 1.635 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000538621570 306031094 /nfs/dbraw/zinc/03/10/94/306031094.db2.gz KWLVTSOAMMNCMS-INIZCTEOSA-N 2 2 345.491 1.954 20 0 EDADLP CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543393331 306063394 /nfs/dbraw/zinc/06/33/94/306063394.db2.gz AJADTVRJLRMHJQ-ZDUSSCGKSA-N 2 2 326.447 1.057 20 0 EDADLP CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543393331 306063395 /nfs/dbraw/zinc/06/33/95/306063395.db2.gz AJADTVRJLRMHJQ-ZDUSSCGKSA-N 2 2 326.447 1.057 20 0 EDADLP CC[N@H+](CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1)C1CC1 ZINC000543740377 306068495 /nfs/dbraw/zinc/06/84/95/306068495.db2.gz AZJSXEWNXLCRRD-UHFFFAOYSA-N 2 2 331.464 1.706 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1)C1CC1 ZINC000543740377 306068496 /nfs/dbraw/zinc/06/84/96/306068496.db2.gz AZJSXEWNXLCRRD-UHFFFAOYSA-N 2 2 331.464 1.706 20 0 EDADLP CC[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1[nH]cc[nH+]1 ZINC000547750469 306110573 /nfs/dbraw/zinc/11/05/73/306110573.db2.gz UBTMKSKKGHGQCK-AWEZNQCLSA-N 2 2 330.436 1.623 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000547797467 306112354 /nfs/dbraw/zinc/11/23/54/306112354.db2.gz ZONPSWIIVHIRSI-ZDUSSCGKSA-N 2 2 335.496 1.662 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000548062622 306118921 /nfs/dbraw/zinc/11/89/21/306118921.db2.gz MPWPULUEFWZHKO-XHSDSOJGSA-N 2 2 349.479 1.192 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000548062622 306118922 /nfs/dbraw/zinc/11/89/22/306118922.db2.gz MPWPULUEFWZHKO-XHSDSOJGSA-N 2 2 349.479 1.192 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000548062620 306119040 /nfs/dbraw/zinc/11/90/40/306119040.db2.gz MPWPULUEFWZHKO-OAGGEKHMSA-N 2 2 349.479 1.192 20 0 EDADLP C[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000548359130 306125394 /nfs/dbraw/zinc/12/53/94/306125394.db2.gz KRNOKMKMTCSTMV-HNNXBMFYSA-N 2 2 337.468 1.150 20 0 EDADLP C[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000548359130 306125395 /nfs/dbraw/zinc/12/53/95/306125395.db2.gz KRNOKMKMTCSTMV-HNNXBMFYSA-N 2 2 337.468 1.150 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000551901075 306166977 /nfs/dbraw/zinc/16/69/77/306166977.db2.gz GDIZBWFUAVSBTD-KZULUSFZSA-N 2 2 341.415 1.601 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000551901075 306166978 /nfs/dbraw/zinc/16/69/78/306166978.db2.gz GDIZBWFUAVSBTD-KZULUSFZSA-N 2 2 341.415 1.601 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000553925781 306187954 /nfs/dbraw/zinc/18/79/54/306187954.db2.gz WGJQKWLLVVKHEQ-INIZCTEOSA-N 2 2 347.463 1.377 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000555596894 306203703 /nfs/dbraw/zinc/20/37/03/306203703.db2.gz PSSFRHZQCTVFTO-INIZCTEOSA-N 2 2 334.468 1.180 20 0 EDADLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000556818909 306218535 /nfs/dbraw/zinc/21/85/35/306218535.db2.gz FQBOSKSEEWSIPO-QRXXOTLXSA-N 2 2 334.460 1.359 20 0 EDADLP COc1ccc(Cl)cc1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556853629 306220357 /nfs/dbraw/zinc/22/03/57/306220357.db2.gz HFLKUAGDMFAGLM-DVOMOZLQSA-N 2 2 342.867 1.908 20 0 EDADLP COc1ccc(Cl)cc1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556853629 306220358 /nfs/dbraw/zinc/22/03/58/306220358.db2.gz HFLKUAGDMFAGLM-DVOMOZLQSA-N 2 2 342.867 1.908 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])Cc1ccccc1 ZINC000557205102 306226410 /nfs/dbraw/zinc/22/64/10/306226410.db2.gz OCEMCQTXSCKNQX-ROUUACIJSA-N 2 2 332.492 1.786 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])Cc1ccccc1 ZINC000557205102 306226411 /nfs/dbraw/zinc/22/64/11/306226411.db2.gz OCEMCQTXSCKNQX-ROUUACIJSA-N 2 2 332.492 1.786 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000377844349 447376177 /nfs/dbraw/zinc/37/61/77/447376177.db2.gz VZBIQXPTJSVAQL-KRWDZBQOSA-N 2 2 329.460 1.426 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000377844349 447376184 /nfs/dbraw/zinc/37/61/84/447376184.db2.gz VZBIQXPTJSVAQL-KRWDZBQOSA-N 2 2 329.460 1.426 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665357563 453665219 /nfs/dbraw/zinc/66/52/19/453665219.db2.gz PQTFCQRYDDRXTI-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000665357563 453665222 /nfs/dbraw/zinc/66/52/22/453665222.db2.gz PQTFCQRYDDRXTI-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000426250263 447407128 /nfs/dbraw/zinc/40/71/28/447407128.db2.gz SMCFBQNAAAUOIX-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)C[NH+]2CCCCCC2)CCO1 ZINC000426250263 447407131 /nfs/dbraw/zinc/40/71/31/447407131.db2.gz SMCFBQNAAAUOIX-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP COc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1 ZINC000378367274 447422561 /nfs/dbraw/zinc/42/25/61/447422561.db2.gz QEEYSXZFWPMELD-CQSZACIVSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1 ZINC000378367274 447422567 /nfs/dbraw/zinc/42/25/67/447422567.db2.gz QEEYSXZFWPMELD-CQSZACIVSA-N 2 2 347.459 1.641 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@]2(O)CCCC2(C)C)CC1 ZINC000458588171 447424217 /nfs/dbraw/zinc/42/42/17/447424217.db2.gz KEOOYWQZZGVCFL-GOSISDBHSA-N 2 2 340.512 1.253 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc(C)[nH+]1 ZINC000422269179 447434683 /nfs/dbraw/zinc/43/46/83/447434683.db2.gz LJJQCPHGNPZXSR-MRXNPFEDSA-N 2 2 346.475 1.551 20 0 EDADLP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494453385 447437294 /nfs/dbraw/zinc/43/72/94/447437294.db2.gz KOQYPFIFCBCTMQ-INIZCTEOSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494453385 447437302 /nfs/dbraw/zinc/43/73/02/447437302.db2.gz KOQYPFIFCBCTMQ-INIZCTEOSA-N 2 2 336.480 1.119 20 0 EDADLP C[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000070924477 441127574 /nfs/dbraw/zinc/12/75/74/441127574.db2.gz MGFDMRUXNZULIW-UHFFFAOYSA-N 2 2 341.455 1.408 20 0 EDADLP C[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000070924477 441127578 /nfs/dbraw/zinc/12/75/78/441127578.db2.gz MGFDMRUXNZULIW-UHFFFAOYSA-N 2 2 341.455 1.408 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408462 441168875 /nfs/dbraw/zinc/16/88/75/441168875.db2.gz PFBMCVNUOOHGQQ-QGZVFWFLSA-N 2 2 337.464 1.575 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408462 441168878 /nfs/dbraw/zinc/16/88/78/441168878.db2.gz PFBMCVNUOOHGQQ-QGZVFWFLSA-N 2 2 337.464 1.575 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408462 441168880 /nfs/dbraw/zinc/16/88/80/441168880.db2.gz PFBMCVNUOOHGQQ-QGZVFWFLSA-N 2 2 337.464 1.575 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408462 441168883 /nfs/dbraw/zinc/16/88/83/441168883.db2.gz PFBMCVNUOOHGQQ-QGZVFWFLSA-N 2 2 337.464 1.575 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[C@@H]1O ZINC000080444452 441171366 /nfs/dbraw/zinc/17/13/66/441171366.db2.gz VNXVKFKNDGMGEN-HOTGVXAUSA-N 2 2 337.489 1.238 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[C@@H]1O ZINC000080444452 441171367 /nfs/dbraw/zinc/17/13/67/441171367.db2.gz VNXVKFKNDGMGEN-HOTGVXAUSA-N 2 2 337.489 1.238 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000080590320 441182039 /nfs/dbraw/zinc/18/20/39/441182039.db2.gz NQMZZVVNOLWLCD-SQNIBIBYSA-N 2 2 339.443 1.827 20 0 EDADLP C[N@H+]1C[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000080590320 441182045 /nfs/dbraw/zinc/18/20/45/441182045.db2.gz NQMZZVVNOLWLCD-SQNIBIBYSA-N 2 2 339.443 1.827 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105089975 441232178 /nfs/dbraw/zinc/23/21/78/441232178.db2.gz RYNGJMQTGBDWBH-CVEARBPZSA-N 2 2 348.491 1.657 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000105128141 441236130 /nfs/dbraw/zinc/23/61/30/441236130.db2.gz RIDZWXOVUIFDGP-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000105128141 441236133 /nfs/dbraw/zinc/23/61/33/441236133.db2.gz RIDZWXOVUIFDGP-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)C(=O)NCCC(C)C)CC2)c1 ZINC000104717117 441200398 /nfs/dbraw/zinc/20/03/98/441200398.db2.gz GOMRUHQDDJEQFY-HNNXBMFYSA-N 2 2 334.464 1.763 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC1CCC2(CC1)OCCO2 ZINC000080958683 441212063 /nfs/dbraw/zinc/21/20/63/441212063.db2.gz MNEBXOIZGNCCJN-AWEZNQCLSA-N 2 2 348.447 1.391 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC1CCC2(CC1)OCCO2 ZINC000080958683 441212066 /nfs/dbraw/zinc/21/20/66/441212066.db2.gz MNEBXOIZGNCCJN-AWEZNQCLSA-N 2 2 348.447 1.391 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000105272685 441247000 /nfs/dbraw/zinc/24/70/00/441247000.db2.gz HOFOPUIUEBZEKJ-GVDBMIGSSA-N 2 2 340.512 1.515 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000105272685 441247002 /nfs/dbraw/zinc/24/70/02/441247002.db2.gz HOFOPUIUEBZEKJ-GVDBMIGSSA-N 2 2 340.512 1.515 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105216935 441242909 /nfs/dbraw/zinc/24/29/09/441242909.db2.gz XXFZNHDRNPSSOH-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[NH+]1CCN(CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000073598853 441330311 /nfs/dbraw/zinc/33/03/11/441330311.db2.gz LOCAPHXXDYYHQJ-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP C[NH+]1CCN(CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000073598853 441330313 /nfs/dbraw/zinc/33/03/13/441330313.db2.gz LOCAPHXXDYYHQJ-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000025499925 441346723 /nfs/dbraw/zinc/34/67/23/441346723.db2.gz SMRJZIZBBQBSCR-OAHLLOKOSA-N 2 2 338.415 1.194 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000025499925 441346727 /nfs/dbraw/zinc/34/67/27/441346727.db2.gz SMRJZIZBBQBSCR-OAHLLOKOSA-N 2 2 338.415 1.194 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000106521461 441348959 /nfs/dbraw/zinc/34/89/59/441348959.db2.gz IKHYGBSUJZEWJJ-MRXNPFEDSA-N 2 2 347.507 1.183 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000073809588 441356965 /nfs/dbraw/zinc/35/69/65/441356965.db2.gz BNGYLSWLXNEGJA-INIZCTEOSA-N 2 2 335.452 1.170 20 0 EDADLP CC(C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCOCC1 ZINC000051402123 441410497 /nfs/dbraw/zinc/41/04/97/441410497.db2.gz DTUAWPVBMNNYLA-SFHVURJKSA-N 2 2 342.443 1.959 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C(C)(C)C[NH+](C)C ZINC000085365344 441434638 /nfs/dbraw/zinc/43/46/38/441434638.db2.gz HJNSJDSVGMJECA-INIZCTEOSA-N 2 2 347.507 1.885 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000065442073 441435198 /nfs/dbraw/zinc/43/51/98/441435198.db2.gz LZBKSMUZNTUENC-MRXNPFEDSA-N 2 2 331.464 1.644 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000065442073 441435203 /nfs/dbraw/zinc/43/52/03/441435203.db2.gz LZBKSMUZNTUENC-MRXNPFEDSA-N 2 2 331.464 1.644 20 0 EDADLP Cc1ccc(NCCCNC(=O)CCCC[NH+]2CCOCC2)[nH+]c1 ZINC000085383076 441436234 /nfs/dbraw/zinc/43/62/34/441436234.db2.gz HMXMTBASMWDLAH-UHFFFAOYSA-N 2 2 334.464 1.811 20 0 EDADLP CO[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000074931739 441479494 /nfs/dbraw/zinc/47/94/94/441479494.db2.gz PMMQWALIVDQUMH-INIZCTEOSA-N 2 2 328.501 1.325 20 0 EDADLP CO[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000074931739 441479498 /nfs/dbraw/zinc/47/94/98/441479498.db2.gz PMMQWALIVDQUMH-INIZCTEOSA-N 2 2 328.501 1.325 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCN(C)CC1 ZINC000074657244 441453039 /nfs/dbraw/zinc/45/30/39/441453039.db2.gz OPGQVZOQOCBTEU-CVEARBPZSA-N 2 2 348.495 1.182 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000052519842 441456632 /nfs/dbraw/zinc/45/66/32/441456632.db2.gz RYHYZXYYDFKLBX-CVEARBPZSA-N 2 2 327.432 1.903 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000052519842 441456635 /nfs/dbraw/zinc/45/66/35/441456635.db2.gz RYHYZXYYDFKLBX-CVEARBPZSA-N 2 2 327.432 1.903 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000066468227 441534367 /nfs/dbraw/zinc/53/43/67/441534367.db2.gz YSORCHHYJKZFRT-UHFFFAOYSA-N 2 2 345.491 1.864 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000076083683 441595510 /nfs/dbraw/zinc/59/55/10/441595510.db2.gz PSJBOCWIKAJBMN-OAHLLOKOSA-N 2 2 349.479 1.800 20 0 EDADLP CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000076343681 441633340 /nfs/dbraw/zinc/63/33/40/441633340.db2.gz AJOXRMNZRDRLJE-GOSISDBHSA-N 2 2 347.459 1.568 20 0 EDADLP CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000076343681 441633343 /nfs/dbraw/zinc/63/33/43/441633343.db2.gz AJOXRMNZRDRLJE-GOSISDBHSA-N 2 2 347.459 1.568 20 0 EDADLP CCO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076403895 441641455 /nfs/dbraw/zinc/64/14/55/441641455.db2.gz NUWAQYTVDQAKKG-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CCO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076403895 441641459 /nfs/dbraw/zinc/64/14/59/441641459.db2.gz NUWAQYTVDQAKKG-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090799052 441644177 /nfs/dbraw/zinc/64/41/77/441644177.db2.gz TUHGGWBEOAFSEB-WMLDXEAASA-N 2 2 348.472 1.947 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C[NH+]1CCN(C)CC1 ZINC000114379058 441651260 /nfs/dbraw/zinc/65/12/60/441651260.db2.gz KWUOOTTZONSFNE-INIZCTEOSA-N 2 2 341.459 1.486 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478496 441662404 /nfs/dbraw/zinc/66/24/04/441662404.db2.gz QLAIWOFNIDOOQU-UONOGXRCSA-N 2 2 332.448 1.257 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478496 441662406 /nfs/dbraw/zinc/66/24/06/441662406.db2.gz QLAIWOFNIDOOQU-UONOGXRCSA-N 2 2 332.448 1.257 20 0 EDADLP CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000114480435 441663495 /nfs/dbraw/zinc/66/34/95/441663495.db2.gz XPVJXGAEYBWSLC-LSDHHAIUSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000114480435 441663499 /nfs/dbraw/zinc/66/34/99/441663499.db2.gz XPVJXGAEYBWSLC-LSDHHAIUSA-N 2 2 339.480 1.060 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479895 441663819 /nfs/dbraw/zinc/66/38/19/441663819.db2.gz IDRBMYKQPXMNLF-CYBMUJFWSA-N 2 2 339.867 1.848 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479895 441663823 /nfs/dbraw/zinc/66/38/23/441663823.db2.gz IDRBMYKQPXMNLF-CYBMUJFWSA-N 2 2 339.867 1.848 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000139504784 441818830 /nfs/dbraw/zinc/81/88/30/441818830.db2.gz PXSOEOAFAZEXJX-QGZVFWFLSA-N 2 2 341.459 1.867 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1Cl ZINC000173664596 441819748 /nfs/dbraw/zinc/81/97/48/441819748.db2.gz CYLZMJUJILNONF-LSDHHAIUSA-N 2 2 325.840 1.390 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1Cl ZINC000173664596 441819752 /nfs/dbraw/zinc/81/97/52/441819752.db2.gz CYLZMJUJILNONF-LSDHHAIUSA-N 2 2 325.840 1.390 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000121861029 441796790 /nfs/dbraw/zinc/79/67/90/441796790.db2.gz DGMDDRLISVDKHQ-GDBMZVCRSA-N 2 2 343.475 1.975 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000121861029 441796799 /nfs/dbraw/zinc/79/67/99/441796799.db2.gz DGMDDRLISVDKHQ-GDBMZVCRSA-N 2 2 343.475 1.975 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)[NH+](C)C ZINC000159347200 441806068 /nfs/dbraw/zinc/80/60/68/441806068.db2.gz KCJKKECHQVHGBT-SFHVURJKSA-N 2 2 333.476 1.796 20 0 EDADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000122556424 441854363 /nfs/dbraw/zinc/85/43/63/441854363.db2.gz HHGJGDRTEZFNKX-HZPDHXFCSA-N 2 2 348.491 1.168 20 0 EDADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000122556424 441854372 /nfs/dbraw/zinc/85/43/72/441854372.db2.gz HHGJGDRTEZFNKX-HZPDHXFCSA-N 2 2 348.491 1.168 20 0 EDADLP C[N@@H+](CC(=O)NCCOc1cccc(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118841922 441905010 /nfs/dbraw/zinc/90/50/10/441905010.db2.gz JTFIMDISTSFEAB-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP C[N@H+](CC(=O)NCCOc1cccc(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118841922 441905016 /nfs/dbraw/zinc/90/50/16/441905016.db2.gz JTFIMDISTSFEAB-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP C[NH+](CC(=O)NCCOc1cccc(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841922 441905020 /nfs/dbraw/zinc/90/50/20/441905020.db2.gz JTFIMDISTSFEAB-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP C[NH+](CC(=O)NCCOc1cccc(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841922 441905024 /nfs/dbraw/zinc/90/50/24/441905024.db2.gz JTFIMDISTSFEAB-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842355 441907412 /nfs/dbraw/zinc/90/74/12/441907412.db2.gz CWTIBKQJOLUGJR-JKSUJKDBSA-N 2 2 333.476 1.974 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842355 441907415 /nfs/dbraw/zinc/90/74/15/441907415.db2.gz CWTIBKQJOLUGJR-JKSUJKDBSA-N 2 2 333.476 1.974 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842355 441907419 /nfs/dbraw/zinc/90/74/19/441907419.db2.gz CWTIBKQJOLUGJR-JKSUJKDBSA-N 2 2 333.476 1.974 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842355 441907423 /nfs/dbraw/zinc/90/74/23/441907423.db2.gz CWTIBKQJOLUGJR-JKSUJKDBSA-N 2 2 333.476 1.974 20 0 EDADLP C[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C)CC1 ZINC000117803728 441880095 /nfs/dbraw/zinc/88/00/95/441880095.db2.gz KKAPTLUMOIMKFZ-HNNXBMFYSA-N 2 2 327.432 1.238 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc[nH+]1 ZINC000150895676 441970269 /nfs/dbraw/zinc/97/02/69/441970269.db2.gz DERSABGRBZTXQV-DLBZAZTESA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)[nH+]cn1 ZINC000150895676 441970274 /nfs/dbraw/zinc/97/02/74/441970274.db2.gz DERSABGRBZTXQV-DLBZAZTESA-N 2 2 345.491 1.892 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(CC(C)C)C3CC3)C2)CC1 ZINC000174544621 441937701 /nfs/dbraw/zinc/93/77/01/441937701.db2.gz FZRHYMUIEQYVHA-SFHVURJKSA-N 2 2 336.524 1.345 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(CC(C)C)C3CC3)C2)CC1 ZINC000174544621 441937708 /nfs/dbraw/zinc/93/77/08/441937708.db2.gz FZRHYMUIEQYVHA-SFHVURJKSA-N 2 2 336.524 1.345 20 0 EDADLP CN(C(=O)c1ccnn1C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124690496 441946059 /nfs/dbraw/zinc/94/60/59/441946059.db2.gz ORYZUANOMLXEKZ-IRXDYDNUSA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1ccnn1C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124690496 441946065 /nfs/dbraw/zinc/94/60/65/441946065.db2.gz ORYZUANOMLXEKZ-IRXDYDNUSA-N 2 2 347.507 1.829 20 0 EDADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000069608412 441989210 /nfs/dbraw/zinc/98/92/10/441989210.db2.gz HJDXLARRLFOYLS-ZWKOTPCHSA-N 2 2 333.476 1.470 20 0 EDADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000069608412 441989216 /nfs/dbraw/zinc/98/92/16/441989216.db2.gz HJDXLARRLFOYLS-ZWKOTPCHSA-N 2 2 333.476 1.470 20 0 EDADLP CCC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000069608412 441989220 /nfs/dbraw/zinc/98/92/20/441989220.db2.gz HJDXLARRLFOYLS-ZWKOTPCHSA-N 2 2 333.476 1.470 20 0 EDADLP CCC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000069608412 441989221 /nfs/dbraw/zinc/98/92/21/441989221.db2.gz HJDXLARRLFOYLS-ZWKOTPCHSA-N 2 2 333.476 1.470 20 0 EDADLP CCn1nc(C)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120104344 442008290 /nfs/dbraw/zinc/00/82/90/442008290.db2.gz VFEHKRLXPOJWMF-UHFFFAOYSA-N 2 2 333.480 1.500 20 0 EDADLP CC[C@H](O)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000120124733 442012344 /nfs/dbraw/zinc/01/23/44/442012344.db2.gz VCUDRSPNAYBXNL-INIZCTEOSA-N 2 2 340.512 1.397 20 0 EDADLP O=c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)nc2ccccn12 ZINC000069857733 442057349 /nfs/dbraw/zinc/05/73/49/442057349.db2.gz ZIQUJECWHGLYDL-MRXNPFEDSA-N 2 2 342.443 1.239 20 0 EDADLP O=c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)nc2ccccn12 ZINC000069857733 442057354 /nfs/dbraw/zinc/05/73/54/442057354.db2.gz ZIQUJECWHGLYDL-MRXNPFEDSA-N 2 2 342.443 1.239 20 0 EDADLP COC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)C1CC1 ZINC000162049107 442059766 /nfs/dbraw/zinc/05/97/66/442059766.db2.gz WQHVVSHURFAUKD-GOSISDBHSA-N 2 2 334.460 1.912 20 0 EDADLP C[NH+]1CCC(CNC(=O)C[C@@H]2COC(=O)C2)([NH+]2CCCCC2)CC1 ZINC000162337644 442084554 /nfs/dbraw/zinc/08/45/54/442084554.db2.gz IPAMULJVQQISTK-HNNXBMFYSA-N 2 2 337.464 1.006 20 0 EDADLP CC(C)(CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCOCC1 ZINC000162821060 442124903 /nfs/dbraw/zinc/12/49/03/442124903.db2.gz ZOUPENHFHJYYPP-HNNXBMFYSA-N 2 2 347.463 1.070 20 0 EDADLP Cc1cccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1O ZINC000126655992 442130962 /nfs/dbraw/zinc/13/09/62/442130962.db2.gz PGBQLZDBZADZMP-UHFFFAOYSA-N 2 2 331.460 1.989 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000165141392 442207065 /nfs/dbraw/zinc/20/70/65/442207065.db2.gz QDLCRLSILCOSTD-JKSUJKDBSA-N 2 2 337.489 1.257 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000121379131 442209689 /nfs/dbraw/zinc/20/96/89/442209689.db2.gz JVPFWVPFHNGHCF-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000165905591 442211562 /nfs/dbraw/zinc/21/15/62/442211562.db2.gz GARXETPQCYKIAS-RDTXWAMCSA-N 2 2 347.459 1.407 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000165905591 442211567 /nfs/dbraw/zinc/21/15/67/442211567.db2.gz GARXETPQCYKIAS-RDTXWAMCSA-N 2 2 347.459 1.407 20 0 EDADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129205348 442305986 /nfs/dbraw/zinc/30/59/86/442305986.db2.gz FYMGQQILOPJZCA-QZTJIDSGSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129205348 442305988 /nfs/dbraw/zinc/30/59/88/442305988.db2.gz FYMGQQILOPJZCA-QZTJIDSGSA-N 2 2 345.487 1.860 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCSC1 ZINC000153558260 442288825 /nfs/dbraw/zinc/28/88/25/442288825.db2.gz FJQUYBOTURNQGE-MRXNPFEDSA-N 2 2 334.489 1.163 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCSC1 ZINC000153558260 442288827 /nfs/dbraw/zinc/28/88/27/442288827.db2.gz FJQUYBOTURNQGE-MRXNPFEDSA-N 2 2 334.489 1.163 20 0 EDADLP C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177115135 442299367 /nfs/dbraw/zinc/29/93/67/442299367.db2.gz BYBBYOMWWOYWBE-CYBMUJFWSA-N 2 2 342.484 1.042 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000129648563 442326410 /nfs/dbraw/zinc/32/64/10/442326410.db2.gz GSXQJOQDGBICLT-GOEBONIOSA-N 2 2 342.447 1.801 20 0 EDADLP CC(C)OCC[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177362431 442332382 /nfs/dbraw/zinc/33/23/82/442332382.db2.gz UFZZTBYVHWHRON-UHFFFAOYSA-N 2 2 329.448 1.810 20 0 EDADLP C[C@H]1C[NH+](CC2CCN(C(=O)NCCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000171325746 442341522 /nfs/dbraw/zinc/34/15/22/442341522.db2.gz QESGCHSQIQDOMN-HOTGVXAUSA-N 2 2 349.479 1.414 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2COc3ccccc3C2)CC1 ZINC000177156698 442306508 /nfs/dbraw/zinc/30/65/08/442306508.db2.gz ANXKIHGHUSYULG-MRXNPFEDSA-N 2 2 331.460 1.380 20 0 EDADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129244042 442307703 /nfs/dbraw/zinc/30/77/03/442307703.db2.gz DTMCUBLHLMFPIW-KZNAEPCWSA-N 2 2 337.508 1.678 20 0 EDADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129244042 442307706 /nfs/dbraw/zinc/30/77/06/442307706.db2.gz DTMCUBLHLMFPIW-KZNAEPCWSA-N 2 2 337.508 1.678 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCO1 ZINC000171675796 442369588 /nfs/dbraw/zinc/36/95/88/442369588.db2.gz ZEZCXUSKFGPZFW-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCO1 ZINC000171675796 442369590 /nfs/dbraw/zinc/36/95/90/442369590.db2.gz ZEZCXUSKFGPZFW-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900528 442388746 /nfs/dbraw/zinc/38/87/46/442388746.db2.gz OFKLWSJXGFZWKE-GOSISDBHSA-N 2 2 339.443 1.921 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900528 442388749 /nfs/dbraw/zinc/38/87/49/442388749.db2.gz OFKLWSJXGFZWKE-GOSISDBHSA-N 2 2 339.443 1.921 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000177868722 442392043 /nfs/dbraw/zinc/39/20/43/442392043.db2.gz IIRHCVSWYDITPC-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000177868722 442392046 /nfs/dbraw/zinc/39/20/46/442392046.db2.gz IIRHCVSWYDITPC-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000177868722 442392047 /nfs/dbraw/zinc/39/20/47/442392047.db2.gz IIRHCVSWYDITPC-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CC[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000177868722 442392050 /nfs/dbraw/zinc/39/20/50/442392050.db2.gz IIRHCVSWYDITPC-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)c(OC)c1OC ZINC000155496027 442402543 /nfs/dbraw/zinc/40/25/43/442402543.db2.gz WQKWAPOGCFCIMQ-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c(OC)c1OC ZINC000155496027 442402545 /nfs/dbraw/zinc/40/25/45/442402545.db2.gz WQKWAPOGCFCIMQ-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000178068914 442405891 /nfs/dbraw/zinc/40/58/91/442405891.db2.gz ADTBJPDLYMIJSI-CQSZACIVSA-N 2 2 335.448 1.437 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000172220246 442425565 /nfs/dbraw/zinc/42/55/65/442425565.db2.gz QHJMSCUOYOKGQH-INIZCTEOSA-N 2 2 342.447 1.757 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCc4occc43)cn2)CC1 ZINC000133880422 442438339 /nfs/dbraw/zinc/43/83/39/442438339.db2.gz LWQOLRZWECXHRQ-INIZCTEOSA-N 2 2 327.432 1.989 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000172557018 442489683 /nfs/dbraw/zinc/48/96/83/442489683.db2.gz YCLJFARXNCLOOU-QGZVFWFLSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000172557018 442489686 /nfs/dbraw/zinc/48/96/86/442489686.db2.gz YCLJFARXNCLOOU-QGZVFWFLSA-N 2 2 347.507 1.431 20 0 EDADLP C[NH2+]C[C@@H]1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000179005114 442550393 /nfs/dbraw/zinc/55/03/93/442550393.db2.gz WJPMRVIAVBUIGL-AWEZNQCLSA-N 2 2 332.473 1.944 20 0 EDADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000134755850 442519758 /nfs/dbraw/zinc/51/97/58/442519758.db2.gz JVTZEGMPIJZGLM-OAHLLOKOSA-N 2 2 348.491 1.800 20 0 EDADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000134755850 442519764 /nfs/dbraw/zinc/51/97/64/442519764.db2.gz JVTZEGMPIJZGLM-OAHLLOKOSA-N 2 2 348.491 1.800 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840384 442520443 /nfs/dbraw/zinc/52/04/43/442520443.db2.gz IIURMSROYCTYRN-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840384 442520449 /nfs/dbraw/zinc/52/04/49/442520449.db2.gz IIURMSROYCTYRN-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134889239 442531990 /nfs/dbraw/zinc/53/19/90/442531990.db2.gz ILWPFLQCQJSLLG-LZLYRXPVSA-N 2 2 337.508 1.866 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134889239 442531992 /nfs/dbraw/zinc/53/19/92/442531992.db2.gz ILWPFLQCQJSLLG-LZLYRXPVSA-N 2 2 337.508 1.866 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134889239 442531994 /nfs/dbraw/zinc/53/19/94/442531994.db2.gz ILWPFLQCQJSLLG-LZLYRXPVSA-N 2 2 337.508 1.866 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134889239 442531995 /nfs/dbraw/zinc/53/19/95/442531995.db2.gz ILWPFLQCQJSLLG-LZLYRXPVSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCC3CCOCC3)CC2)CC1 ZINC000172929605 442569330 /nfs/dbraw/zinc/56/93/30/442569330.db2.gz WHVFFVYSHNCKMC-UHFFFAOYSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCSCC1 ZINC000179138403 442580843 /nfs/dbraw/zinc/58/08/43/442580843.db2.gz OGDODAJBWPFVEB-HNNXBMFYSA-N 2 2 344.484 1.985 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179176091 442589939 /nfs/dbraw/zinc/58/99/39/442589939.db2.gz IXMKHHOUFNASTF-SJLPKXTDSA-N 2 2 345.491 1.327 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179176091 442589941 /nfs/dbraw/zinc/58/99/41/442589941.db2.gz IXMKHHOUFNASTF-SJLPKXTDSA-N 2 2 345.491 1.327 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179176091 442589944 /nfs/dbraw/zinc/58/99/44/442589944.db2.gz IXMKHHOUFNASTF-SJLPKXTDSA-N 2 2 345.491 1.327 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179176091 442589951 /nfs/dbraw/zinc/58/99/51/442589951.db2.gz IXMKHHOUFNASTF-SJLPKXTDSA-N 2 2 345.491 1.327 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000158062877 442642633 /nfs/dbraw/zinc/64/26/33/442642633.db2.gz MVQSEKLLWFNLQQ-UHFFFAOYSA-N 2 2 326.485 1.082 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000179409493 442643144 /nfs/dbraw/zinc/64/31/44/442643144.db2.gz QPAMEIABCRKSAB-MOPGFXCFSA-N 2 2 347.503 1.985 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1 ZINC000187012477 442645064 /nfs/dbraw/zinc/64/50/64/442645064.db2.gz CDMSTFPIYOCQLH-HIFRSBDPSA-N 2 2 338.452 1.648 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(C)no2)[C@H](C)C1 ZINC000187012477 442645066 /nfs/dbraw/zinc/64/50/66/442645066.db2.gz CDMSTFPIYOCQLH-HIFRSBDPSA-N 2 2 338.452 1.648 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180669621 442645872 /nfs/dbraw/zinc/64/58/72/442645872.db2.gz SZRBBCUNRFNGIF-OAHLLOKOSA-N 2 2 328.416 1.772 20 0 EDADLP CC(C)C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000136117848 442651542 /nfs/dbraw/zinc/65/15/42/442651542.db2.gz MUHZCAGXUGRMAZ-KRWDZBQOSA-N 2 2 325.497 1.581 20 0 EDADLP CCOC(=O)CNC(=O)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180765011 442656882 /nfs/dbraw/zinc/65/68/82/442656882.db2.gz UMWASELUOMCKCG-UHFFFAOYSA-N 2 2 344.415 1.226 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)CC[N@H+](C)C1CC1 ZINC000186790113 442612470 /nfs/dbraw/zinc/61/24/70/442612470.db2.gz WJIZCRKUMUJOEX-MRXNPFEDSA-N 2 2 345.491 1.145 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)CC[N@@H+](C)C1CC1 ZINC000186790113 442612476 /nfs/dbraw/zinc/61/24/76/442612476.db2.gz WJIZCRKUMUJOEX-MRXNPFEDSA-N 2 2 345.491 1.145 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000192301207 442629845 /nfs/dbraw/zinc/62/98/45/442629845.db2.gz JTOPFQYPVWDMAN-INIZCTEOSA-N 2 2 333.480 1.795 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000192301207 442629849 /nfs/dbraw/zinc/62/98/49/442629849.db2.gz JTOPFQYPVWDMAN-INIZCTEOSA-N 2 2 333.480 1.795 20 0 EDADLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000181028852 442676266 /nfs/dbraw/zinc/67/62/66/442676266.db2.gz UZWBBJMXQNKNSK-ROUUACIJSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+](C)CCN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000192775349 442685312 /nfs/dbraw/zinc/68/53/12/442685312.db2.gz DBZVBCMWFYMFCS-UHFFFAOYSA-N 2 2 327.432 1.192 20 0 EDADLP CCCCCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180944805 442670889 /nfs/dbraw/zinc/67/08/89/442670889.db2.gz IQICVFQTEQXMII-INIZCTEOSA-N 2 2 326.529 1.639 20 0 EDADLP CCCCCNC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180944805 442670890 /nfs/dbraw/zinc/67/08/90/442670890.db2.gz IQICVFQTEQXMII-INIZCTEOSA-N 2 2 326.529 1.639 20 0 EDADLP CCCCCNC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180944805 442670892 /nfs/dbraw/zinc/67/08/92/442670892.db2.gz IQICVFQTEQXMII-INIZCTEOSA-N 2 2 326.529 1.639 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)CC[C@@H](C)[NH3+])c2[nH+]ccn2C)c1 ZINC000193293530 442730648 /nfs/dbraw/zinc/73/06/48/442730648.db2.gz MCZPGMYOSFXHPW-SJKOYZFVSA-N 2 2 346.431 1.770 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186663 442743513 /nfs/dbraw/zinc/74/35/13/442743513.db2.gz BSLWHMBFMHGKRM-KGLIPLIRSA-N 2 2 327.469 1.106 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186663 442743515 /nfs/dbraw/zinc/74/35/15/442743515.db2.gz BSLWHMBFMHGKRM-KGLIPLIRSA-N 2 2 327.469 1.106 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186663 442743517 /nfs/dbraw/zinc/74/35/17/442743517.db2.gz BSLWHMBFMHGKRM-KGLIPLIRSA-N 2 2 327.469 1.106 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186663 442743519 /nfs/dbraw/zinc/74/35/19/442743519.db2.gz BSLWHMBFMHGKRM-KGLIPLIRSA-N 2 2 327.469 1.106 20 0 EDADLP COc1ccccc1CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000182565212 442788359 /nfs/dbraw/zinc/78/83/59/442788359.db2.gz QPQSTIJEKXGFFK-GOSISDBHSA-N 2 2 345.487 1.866 20 0 EDADLP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000246527179 442788980 /nfs/dbraw/zinc/78/89/80/442788980.db2.gz XPZGKLPJRMDACX-YESZJQIVSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000246527179 442788983 /nfs/dbraw/zinc/78/89/83/442788983.db2.gz XPZGKLPJRMDACX-YESZJQIVSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C(C)C)[NH+]2CCOCC2)s1 ZINC000182415552 442765405 /nfs/dbraw/zinc/76/54/05/442765405.db2.gz LCNFZDFIEKWFLF-ZFWWWQNUSA-N 2 2 325.478 1.529 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246427393 442780432 /nfs/dbraw/zinc/78/04/32/442780432.db2.gz MJROLWRCDTYJFK-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246427393 442780435 /nfs/dbraw/zinc/78/04/35/442780435.db2.gz MJROLWRCDTYJFK-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000246427909 442780471 /nfs/dbraw/zinc/78/04/71/442780471.db2.gz MNSNIUHYXYSZAD-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000246427909 442780476 /nfs/dbraw/zinc/78/04/76/442780476.db2.gz MNSNIUHYXYSZAD-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccc1C ZINC000194044020 442835982 /nfs/dbraw/zinc/83/59/82/442835982.db2.gz HEDQDTGEISIHHL-KRWDZBQOSA-N 2 2 331.460 1.742 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1C ZINC000194044020 442835989 /nfs/dbraw/zinc/83/59/89/442835989.db2.gz HEDQDTGEISIHHL-KRWDZBQOSA-N 2 2 331.460 1.742 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000247469140 442855341 /nfs/dbraw/zinc/85/53/41/442855341.db2.gz VBYXTCOPNGNCDH-UGUYLWEFSA-N 2 2 326.485 1.124 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000247469140 442855345 /nfs/dbraw/zinc/85/53/45/442855345.db2.gz VBYXTCOPNGNCDH-UGUYLWEFSA-N 2 2 326.485 1.124 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@H](C)C[NH+]3CCOCC3)cn2c1 ZINC000265751565 442908076 /nfs/dbraw/zinc/90/80/76/442908076.db2.gz PFTJIFKKGRTJPT-HNNXBMFYSA-N 2 2 345.447 1.410 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[NH+](CC2CC2)CC1 ZINC000265801885 442926855 /nfs/dbraw/zinc/92/68/55/442926855.db2.gz KMTNUPHXUYIAGJ-UHFFFAOYSA-N 2 2 343.471 1.687 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c2cc1C ZINC000248883159 442933790 /nfs/dbraw/zinc/93/37/90/442933790.db2.gz DNTGLYUWLKKKEW-BZUAXINKSA-N 2 2 335.448 1.078 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)c2cc1C ZINC000248883159 442933796 /nfs/dbraw/zinc/93/37/96/442933796.db2.gz DNTGLYUWLKKKEW-BZUAXINKSA-N 2 2 335.448 1.078 20 0 EDADLP C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000265889946 442959128 /nfs/dbraw/zinc/95/91/28/442959128.db2.gz RARGVONAQAOYDV-IAGOWNOFSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000183759594 442961907 /nfs/dbraw/zinc/96/19/07/442961907.db2.gz DZBADPOALPDXAM-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CC[C@H]1CN(CC(=O)N2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000183759594 442961908 /nfs/dbraw/zinc/96/19/08/442961908.db2.gz DZBADPOALPDXAM-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC000183772970 442962674 /nfs/dbraw/zinc/96/26/74/442962674.db2.gz WHBKIDXGUIIXCI-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC000183772970 442962678 /nfs/dbraw/zinc/96/26/78/442962678.db2.gz WHBKIDXGUIIXCI-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCN(C)C(=O)[C@H]3C)c2cc1C ZINC000249541080 442983438 /nfs/dbraw/zinc/98/34/38/442983438.db2.gz DYHPNZDVGRTOOH-CABCVRRESA-N 2 2 330.432 1.177 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCN(C)C(=O)[C@H]3C)c2cc1C ZINC000249541080 442983442 /nfs/dbraw/zinc/98/34/42/442983442.db2.gz DYHPNZDVGRTOOH-CABCVRRESA-N 2 2 330.432 1.177 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H]1[NH+](C)C ZINC000268424263 442984372 /nfs/dbraw/zinc/98/43/72/442984372.db2.gz XBSMPVZMKSFIBC-GDBMZVCRSA-N 2 2 331.464 1.773 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000265971800 442989442 /nfs/dbraw/zinc/98/94/42/442989442.db2.gz WSJNVZICKWBVTE-UHFFFAOYSA-N 2 2 343.431 1.665 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2nccs2)C1 ZINC000184385446 443016956 /nfs/dbraw/zinc/01/69/56/443016956.db2.gz SBPATRIWNRRZAN-KBPBESRZSA-N 2 2 340.493 1.267 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2nccs2)C1 ZINC000184385446 443016959 /nfs/dbraw/zinc/01/69/59/443016959.db2.gz SBPATRIWNRRZAN-KBPBESRZSA-N 2 2 340.493 1.267 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000184543392 443036977 /nfs/dbraw/zinc/03/69/77/443036977.db2.gz GHEQTWKGFKWZED-UHFFFAOYSA-N 3 2 348.535 1.621 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000184543392 443036980 /nfs/dbraw/zinc/03/69/80/443036980.db2.gz GHEQTWKGFKWZED-UHFFFAOYSA-N 3 2 348.535 1.621 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000195239695 443000831 /nfs/dbraw/zinc/00/08/31/443000831.db2.gz ZRFLWBOGXMDGHA-INIZCTEOSA-N 2 2 344.459 1.818 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000195239695 443000834 /nfs/dbraw/zinc/00/08/34/443000834.db2.gz ZRFLWBOGXMDGHA-INIZCTEOSA-N 2 2 344.459 1.818 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000266216932 443061597 /nfs/dbraw/zinc/06/15/97/443061597.db2.gz KXNJZMCUMNJLCV-JKSUJKDBSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@@H]1C ZINC000266216932 443061604 /nfs/dbraw/zinc/06/16/04/443061604.db2.gz KXNJZMCUMNJLCV-JKSUJKDBSA-N 2 2 342.443 1.459 20 0 EDADLP CCc1nn(C)c(CC)c1C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184769744 443074202 /nfs/dbraw/zinc/07/42/02/443074202.db2.gz FBSFCSWXCMFIHI-UHFFFAOYSA-N 2 2 328.464 1.966 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCCC3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC000184982451 443111351 /nfs/dbraw/zinc/11/13/51/443111351.db2.gz RWAAJWQEYOZEFV-UHFFFAOYSA-N 2 2 346.479 1.349 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3CCC([N@H+](C)CCCO)CC3)on2)cn1 ZINC000185005438 443116420 /nfs/dbraw/zinc/11/64/20/443116420.db2.gz KXNOWIKSUCYOGV-UHFFFAOYSA-N 2 2 333.436 1.354 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)on2)cn1 ZINC000185005438 443116423 /nfs/dbraw/zinc/11/64/23/443116423.db2.gz KXNOWIKSUCYOGV-UHFFFAOYSA-N 2 2 333.436 1.354 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237300478 443167692 /nfs/dbraw/zinc/16/76/92/443167692.db2.gz CAIHXRSMOACHCU-HUUCEWRRSA-N 2 2 336.455 1.308 20 0 EDADLP [NH3+][C@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCOCC1 ZINC000261840082 443171881 /nfs/dbraw/zinc/17/18/81/443171881.db2.gz QNMDYQPTAIWFCC-AWEZNQCLSA-N 2 2 338.477 1.821 20 0 EDADLP COc1cccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000190883990 443204104 /nfs/dbraw/zinc/20/41/04/443204104.db2.gz GJGZTLZGRARYAO-UHFFFAOYSA-N 2 2 327.432 1.527 20 0 EDADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000269255281 443253059 /nfs/dbraw/zinc/25/30/59/443253059.db2.gz JGIKWSBDWZJUDC-GOSISDBHSA-N 2 2 329.444 1.024 20 0 EDADLP CC[C@H](C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1)[NH+](C)C ZINC000413070519 319262393 /nfs/dbraw/zinc/26/23/93/319262393.db2.gz ZWRZYZYQCHLYDD-QZTJIDSGSA-N 2 2 333.476 1.825 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415087890 319347031 /nfs/dbraw/zinc/34/70/31/319347031.db2.gz LFBWXEUKBMFZGU-QZTJIDSGSA-N 3 2 330.476 1.226 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415087890 319347032 /nfs/dbraw/zinc/34/70/32/319347032.db2.gz LFBWXEUKBMFZGU-QZTJIDSGSA-N 3 2 330.476 1.226 20 0 EDADLP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)C1 ZINC000269269812 443259457 /nfs/dbraw/zinc/25/94/57/443259457.db2.gz RLEHYDBMNMKPRI-WMLDXEAASA-N 2 2 333.432 1.334 20 0 EDADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)C1 ZINC000269269812 443259461 /nfs/dbraw/zinc/25/94/61/443259461.db2.gz RLEHYDBMNMKPRI-WMLDXEAASA-N 2 2 333.432 1.334 20 0 EDADLP CC(C)(C)n1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nn1 ZINC000191358041 443283655 /nfs/dbraw/zinc/28/36/55/443283655.db2.gz HYNUZEMQPNICIG-IAGOWNOFSA-N 2 2 335.496 1.891 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H](C)C[NH2+]1 ZINC000416909635 319472002 /nfs/dbraw/zinc/47/20/02/319472002.db2.gz GGWKBCKLSARQOP-HUUCEWRRSA-N 2 2 327.432 1.823 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416913967 319473099 /nfs/dbraw/zinc/47/30/99/319473099.db2.gz OPAILBBBKREVCE-WFASDCNBSA-N 2 2 333.411 1.803 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416955896 319485185 /nfs/dbraw/zinc/48/51/85/319485185.db2.gz MNLQRRNNIOPVFA-NVXWUHKLSA-N 2 2 341.459 1.914 20 0 EDADLP CN(CC[NH+](C)C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000267076915 443334052 /nfs/dbraw/zinc/33/40/52/443334052.db2.gz IMBOIFHEWKZFNU-HNNXBMFYSA-N 2 2 333.411 1.852 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266938019 443296385 /nfs/dbraw/zinc/29/63/85/443296385.db2.gz QMYFMJJQEBQCBP-OAHLLOKOSA-N 2 2 327.432 1.247 20 0 EDADLP CC(C)(C)[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000278571521 443364557 /nfs/dbraw/zinc/36/45/57/443364557.db2.gz BZYNQNUINTZCGU-HNNXBMFYSA-N 2 2 339.505 1.389 20 0 EDADLP CC(=O)NCC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000272694882 443411812 /nfs/dbraw/zinc/41/18/12/443411812.db2.gz DECLYJCWZRMQMC-AWEZNQCLSA-N 2 2 338.452 1.442 20 0 EDADLP CC(=O)NCC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000272694882 443411817 /nfs/dbraw/zinc/41/18/17/443411817.db2.gz DECLYJCWZRMQMC-AWEZNQCLSA-N 2 2 338.452 1.442 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272699151 443414027 /nfs/dbraw/zinc/41/40/27/443414027.db2.gz YGSHFWBUHMLNPW-RDJZCZTQSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272699151 443414033 /nfs/dbraw/zinc/41/40/33/443414033.db2.gz YGSHFWBUHMLNPW-RDJZCZTQSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272699151 443414038 /nfs/dbraw/zinc/41/40/38/443414038.db2.gz YGSHFWBUHMLNPW-RDJZCZTQSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272699151 443414042 /nfs/dbraw/zinc/41/40/42/443414042.db2.gz YGSHFWBUHMLNPW-RDJZCZTQSA-N 2 2 331.460 1.680 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000278770100 443432355 /nfs/dbraw/zinc/43/23/55/443432355.db2.gz GQIQNQUNDIQSGC-UHFFFAOYSA-N 2 2 341.459 1.195 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000278770100 443432359 /nfs/dbraw/zinc/43/23/59/443432359.db2.gz GQIQNQUNDIQSGC-UHFFFAOYSA-N 2 2 341.459 1.195 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc3ccccc3[nH]c2=O)CC1 ZINC000267275130 443401405 /nfs/dbraw/zinc/40/14/05/443401405.db2.gz QQQHVXIVPIWIFI-UHFFFAOYSA-N 2 2 342.443 1.696 20 0 EDADLP C[C@@H]1OCC[C@]1(O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000278689525 443403179 /nfs/dbraw/zinc/40/31/79/443403179.db2.gz ITXOFJLFNNMXBJ-ZBEGNZNMSA-N 2 2 326.360 1.162 20 0 EDADLP C[C@H](CC(N)=O)[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000267290605 443407393 /nfs/dbraw/zinc/40/73/93/443407393.db2.gz XSBMUCXFGVSTDE-CQSZACIVSA-N 2 2 338.883 1.706 20 0 EDADLP Cc1[nH]c(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c[nH+]1 ZINC000264915051 443475321 /nfs/dbraw/zinc/47/53/21/443475321.db2.gz ILWRFFDTFSSVPW-UHFFFAOYSA-N 2 2 328.416 1.605 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000278986315 443482547 /nfs/dbraw/zinc/48/25/47/443482547.db2.gz KMXCGMPLUWRQPV-UONOGXRCSA-N 2 2 328.420 1.296 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000278986314 443482648 /nfs/dbraw/zinc/48/26/48/443482648.db2.gz KMXCGMPLUWRQPV-KGLIPLIRSA-N 2 2 328.420 1.296 20 0 EDADLP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000282871519 443456287 /nfs/dbraw/zinc/45/62/87/443456287.db2.gz USIAFIGEYWAORW-AATRIKPKSA-N 2 2 348.447 1.687 20 0 EDADLP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000282871519 443456290 /nfs/dbraw/zinc/45/62/90/443456290.db2.gz USIAFIGEYWAORW-AATRIKPKSA-N 2 2 348.447 1.687 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000270016105 443457457 /nfs/dbraw/zinc/45/74/57/443457457.db2.gz DBDUEULDPASVPJ-CQSZACIVSA-N 2 2 342.403 1.181 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000270016105 443457458 /nfs/dbraw/zinc/45/74/58/443457458.db2.gz DBDUEULDPASVPJ-CQSZACIVSA-N 2 2 342.403 1.181 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000267460800 443465283 /nfs/dbraw/zinc/46/52/83/443465283.db2.gz UYSZIGDGWRAVPA-UKRRQHHQSA-N 2 2 348.447 1.389 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000267460800 443465285 /nfs/dbraw/zinc/46/52/85/443465285.db2.gz UYSZIGDGWRAVPA-UKRRQHHQSA-N 2 2 348.447 1.389 20 0 EDADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422948291 319740466 /nfs/dbraw/zinc/74/04/66/319740466.db2.gz RAIVJLJAJGOGHH-XJKCOSOUSA-N 2 2 325.478 1.728 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000272863283 443471032 /nfs/dbraw/zinc/47/10/32/443471032.db2.gz LBDDZWINGZKXFP-AWEZNQCLSA-N 2 2 337.493 1.041 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000272863283 443471033 /nfs/dbraw/zinc/47/10/33/443471033.db2.gz LBDDZWINGZKXFP-AWEZNQCLSA-N 2 2 337.493 1.041 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NCc2cn3c([nH+]2)CCCC3)n1C ZINC000267598983 443509345 /nfs/dbraw/zinc/50/93/45/443509345.db2.gz LNVKKLPLFAGRAR-UHFFFAOYSA-N 2 2 331.424 1.018 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000279139721 443519623 /nfs/dbraw/zinc/51/96/23/443519623.db2.gz GAJBRMDEBUFLTM-UHFFFAOYSA-N 2 2 345.422 1.420 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC000272433713 443624035 /nfs/dbraw/zinc/62/40/35/443624035.db2.gz DNCYIMLPSOVGEM-OWCLPIDISA-N 2 2 329.448 1.396 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC000272433713 443624040 /nfs/dbraw/zinc/62/40/40/443624040.db2.gz DNCYIMLPSOVGEM-OWCLPIDISA-N 2 2 329.448 1.396 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000279943729 443646929 /nfs/dbraw/zinc/64/69/29/443646929.db2.gz OIPOAOMHIWBXHZ-GJZGRUSLSA-N 2 2 346.406 1.851 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000438572251 320036256 /nfs/dbraw/zinc/03/62/56/320036256.db2.gz PDHSUGRMXURVTN-MSOLQXFVSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000438572251 320036258 /nfs/dbraw/zinc/03/62/58/320036258.db2.gz PDHSUGRMXURVTN-MSOLQXFVSA-N 2 2 337.508 1.866 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c2)CC1 ZINC000444270850 320123823 /nfs/dbraw/zinc/12/38/23/320123823.db2.gz PYEAQACYRMEOBU-PKOBYXMFSA-N 2 2 328.460 1.372 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCCC2(CCCC2)C1)[NH+]1CCOCC1 ZINC000445846266 320130934 /nfs/dbraw/zinc/13/09/34/320130934.db2.gz GHJIAZXRMCDTAR-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCCC2(CCCC2)C1)[NH+]1CCOCC1 ZINC000445846266 320130936 /nfs/dbraw/zinc/13/09/36/320130936.db2.gz GHJIAZXRMCDTAR-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP c1cn(CC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000286202811 443667566 /nfs/dbraw/zinc/66/75/66/443667566.db2.gz XYRHWYONMBFLEM-FQEVSTJZSA-N 3 2 339.487 1.775 20 0 EDADLP c1cn(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH+]1 ZINC000286202811 443667569 /nfs/dbraw/zinc/66/75/69/443667569.db2.gz XYRHWYONMBFLEM-FQEVSTJZSA-N 3 2 339.487 1.775 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000449387727 320186523 /nfs/dbraw/zinc/18/65/23/320186523.db2.gz MZNWXCRINQRPPY-IBGZPJMESA-N 2 2 332.492 1.482 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000449387727 320186526 /nfs/dbraw/zinc/18/65/26/320186526.db2.gz MZNWXCRINQRPPY-IBGZPJMESA-N 2 2 332.492 1.482 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000449388964 320187025 /nfs/dbraw/zinc/18/70/25/320187025.db2.gz QZTBCRBSAQQTNR-RDJZCZTQSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000449388964 320187027 /nfs/dbraw/zinc/18/70/27/320187027.db2.gz QZTBCRBSAQQTNR-RDJZCZTQSA-N 2 2 349.475 1.849 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449396583 320188367 /nfs/dbraw/zinc/18/83/67/320188367.db2.gz SJRHESQQYFYNOD-PBHICJAKSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449396583 320188369 /nfs/dbraw/zinc/18/83/69/320188369.db2.gz SJRHESQQYFYNOD-PBHICJAKSA-N 2 2 337.439 1.979 20 0 EDADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449398324 320189414 /nfs/dbraw/zinc/18/94/14/320189414.db2.gz XUARJVCOKOSPBW-QGZVFWFLSA-N 2 2 339.524 1.850 20 0 EDADLP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000449398324 320189417 /nfs/dbraw/zinc/18/94/17/320189417.db2.gz XUARJVCOKOSPBW-QGZVFWFLSA-N 2 2 339.524 1.850 20 0 EDADLP O=C(C[N@H+]1CC[C@H](F)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000451181367 320227789 /nfs/dbraw/zinc/22/77/89/320227789.db2.gz FFYDPXLDTUJLFC-KRWDZBQOSA-N 2 2 335.423 1.179 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](F)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000451181367 320227790 /nfs/dbraw/zinc/22/77/90/320227790.db2.gz FFYDPXLDTUJLFC-KRWDZBQOSA-N 2 2 335.423 1.179 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000452207996 320245527 /nfs/dbraw/zinc/24/55/27/320245527.db2.gz OILVQMOCDORSNW-MRXNPFEDSA-N 2 2 348.834 1.863 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000452207996 320245528 /nfs/dbraw/zinc/24/55/28/320245528.db2.gz OILVQMOCDORSNW-MRXNPFEDSA-N 2 2 348.834 1.863 20 0 EDADLP C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1=O ZINC000459331771 320346985 /nfs/dbraw/zinc/34/69/85/320346985.db2.gz WTFXFMXSJUANCF-HZPDHXFCSA-N 2 2 336.480 1.371 20 0 EDADLP C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1=O ZINC000459331771 320346986 /nfs/dbraw/zinc/34/69/86/320346986.db2.gz WTFXFMXSJUANCF-HZPDHXFCSA-N 2 2 336.480 1.371 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000492453636 320379875 /nfs/dbraw/zinc/37/98/75/320379875.db2.gz HJCZPLSJYQGVNH-KJMJWJSPSA-N 2 2 332.448 1.676 20 0 EDADLP C[NH+]1CCN(C[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2)CC1 ZINC000492759983 320385093 /nfs/dbraw/zinc/38/50/93/320385093.db2.gz CSEDOAANHFMZNR-LKGOPFMKSA-N 2 2 339.443 1.528 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000492862436 320389464 /nfs/dbraw/zinc/38/94/64/320389464.db2.gz KZOWCZMBPYNMHZ-ZEVQVBBLSA-N 2 2 340.427 1.696 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000492862436 320389465 /nfs/dbraw/zinc/38/94/65/320389465.db2.gz KZOWCZMBPYNMHZ-ZEVQVBBLSA-N 2 2 340.427 1.696 20 0 EDADLP C[C@@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000496788304 320414334 /nfs/dbraw/zinc/41/43/34/320414334.db2.gz YRMMQHMLWOGYMG-YJBOKZPZSA-N 2 2 343.512 1.972 20 0 EDADLP C[C@H](Cc1[nH]cc[nH+]1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000516336259 320435543 /nfs/dbraw/zinc/43/55/43/320435543.db2.gz GKLYLJWFXVSUJW-CQSZACIVSA-N 2 2 348.472 1.763 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C3=[NH+]C[C@H](C)S3)CC1)C2 ZINC000290965946 443723210 /nfs/dbraw/zinc/72/32/10/443723210.db2.gz YMBWTZATAIHCAF-GXTWGEPZSA-N 2 2 347.488 1.389 20 0 EDADLP CN(C)c1cc[nH+]cc1CNc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291011679 443733253 /nfs/dbraw/zinc/73/32/53/443733253.db2.gz BCMGWUPJEPIVRF-UHFFFAOYSA-N 2 2 339.443 1.692 20 0 EDADLP CN(C)c1cc[nH+]cc1CNc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291011679 443733256 /nfs/dbraw/zinc/73/32/56/443733256.db2.gz BCMGWUPJEPIVRF-UHFFFAOYSA-N 2 2 339.443 1.692 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000527516679 320511050 /nfs/dbraw/zinc/51/10/50/320511050.db2.gz GOKOWXDOHQQYEP-GTPINHCMSA-N 2 2 343.475 1.976 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCc2c[nH+]cn2C)cc1 ZINC000292480033 443797257 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DMUUHRGGBMPUEB-XYPWUTKMSA-N 2 2 343.475 1.188 20 0 EDADLP CCOCC[N@@H+]1CCN(c2cncc(-n3cc[nH+]c3C)n2)C[C@H]1C ZINC000301820115 444192239 /nfs/dbraw/zinc/19/22/39/444192239.db2.gz LHKWUTAZGALPHP-CQSZACIVSA-N 2 2 330.436 1.518 20 0 EDADLP CCOCC[N@H+]1CCN(c2cncc(-n3cc[nH+]c3C)n2)C[C@H]1C ZINC000301820115 444192241 /nfs/dbraw/zinc/19/22/41/444192241.db2.gz LHKWUTAZGALPHP-CQSZACIVSA-N 2 2 330.436 1.518 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[NH+](C3CCCC3)CC2)nc[nH+]1 ZINC000302089050 444203520 /nfs/dbraw/zinc/20/35/20/444203520.db2.gz GATMCCXMWGWQMA-QGZVFWFLSA-N 2 2 345.491 1.892 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCCC1 ZINC000296105121 444204775 /nfs/dbraw/zinc/20/47/75/444204775.db2.gz XMTPUUHQTCYVJX-MRXNPFEDSA-N 2 2 344.459 1.757 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)N1CCCC1 ZINC000296105121 444204779 /nfs/dbraw/zinc/20/47/79/444204779.db2.gz XMTPUUHQTCYVJX-MRXNPFEDSA-N 2 2 344.459 1.757 20 0 EDADLP O=C(C[NH2+]C1(CO)CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000305186230 444263605 /nfs/dbraw/zinc/26/36/05/444263605.db2.gz CFQWQUPQNJXWBE-UHFFFAOYSA-N 2 2 331.460 1.226 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)CCO1 ZINC000302782868 444224428 /nfs/dbraw/zinc/22/44/28/444224428.db2.gz KSVWWLZYLWCUIN-OAHLLOKOSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@@H]1C[N@H+](C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)CCO1 ZINC000302782868 444224430 /nfs/dbraw/zinc/22/44/30/444224430.db2.gz KSVWWLZYLWCUIN-OAHLLOKOSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)CCO1 ZINC000302782868 444224431 /nfs/dbraw/zinc/22/44/31/444224431.db2.gz KSVWWLZYLWCUIN-OAHLLOKOSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@@H]1C[N@H+](C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)CCO1 ZINC000302782868 444224433 /nfs/dbraw/zinc/22/44/33/444224433.db2.gz KSVWWLZYLWCUIN-OAHLLOKOSA-N 2 2 331.464 1.766 20 0 EDADLP Cc1cccc(N2CCC(Nc3nc4c(cnn4C)c(N)[nH+]3)CC2)[nH+]1 ZINC000302906183 444231012 /nfs/dbraw/zinc/23/10/12/444231012.db2.gz WNTGRMFBOSKSLN-UHFFFAOYSA-N 2 2 338.419 1.730 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000290042183 444234281 /nfs/dbraw/zinc/23/42/81/444234281.db2.gz RBOMZZYEQWLOHA-GOSISDBHSA-N 2 2 334.439 1.943 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000290042183 444234282 /nfs/dbraw/zinc/23/42/82/444234282.db2.gz RBOMZZYEQWLOHA-GOSISDBHSA-N 2 2 334.439 1.943 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@H]3CC(N)=O)c2cc1C ZINC000303374466 444236863 /nfs/dbraw/zinc/23/68/63/444236863.db2.gz NKHHISLVEOSURQ-JKSUJKDBSA-N 2 2 344.459 1.744 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@H]3CC(N)=O)c2cc1C ZINC000303374466 444236866 /nfs/dbraw/zinc/23/68/66/444236866.db2.gz NKHHISLVEOSURQ-JKSUJKDBSA-N 2 2 344.459 1.744 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000290125097 444245142 /nfs/dbraw/zinc/24/51/42/444245142.db2.gz ZSFZLJZABTUYHO-ILXRZTDVSA-N 2 2 337.489 1.626 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c[nH+]1 ZINC000297685198 444318416 /nfs/dbraw/zinc/31/84/16/444318416.db2.gz WOHWMEOXATYIRK-SFHVURJKSA-N 2 2 331.464 1.775 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c[nH+]1 ZINC000297685198 444318419 /nfs/dbraw/zinc/31/84/19/444318419.db2.gz WOHWMEOXATYIRK-SFHVURJKSA-N 2 2 331.464 1.775 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000305729560 444276189 /nfs/dbraw/zinc/27/61/89/444276189.db2.gz YUKBYUFSCDOGNF-INIZCTEOSA-N 2 2 342.443 1.709 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000290803236 444324797 /nfs/dbraw/zinc/32/47/97/444324797.db2.gz PJVKHAJUWSIUOU-UHFFFAOYSA-N 2 2 345.447 1.402 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000297867087 444343875 /nfs/dbraw/zinc/34/38/75/444343875.db2.gz MIZLCYIEMMOMSO-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000297867087 444343877 /nfs/dbraw/zinc/34/38/77/444343877.db2.gz MIZLCYIEMMOMSO-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP CC(C)C[C@H](CNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)[NH+]1CCOCC1 ZINC000578295578 321751289 /nfs/dbraw/zinc/75/12/89/321751289.db2.gz WPZAWQLMXPTFSW-ARFHVFGLSA-N 2 2 349.479 1.935 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000328655951 444417631 /nfs/dbraw/zinc/41/76/31/444417631.db2.gz NIVHKOXZAOEJEN-UHFFFAOYSA-N 2 2 326.466 1.082 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298109588 444418179 /nfs/dbraw/zinc/41/81/79/444418179.db2.gz LZQSNKWNFVWAAO-UHFFFAOYSA-N 2 2 345.447 1.901 20 0 EDADLP O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659693 444418645 /nfs/dbraw/zinc/41/86/45/444418645.db2.gz UAENIQHGEYAOKU-WBVHZDCISA-N 2 2 346.475 1.382 20 0 EDADLP O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659693 444418648 /nfs/dbraw/zinc/41/86/48/444418648.db2.gz UAENIQHGEYAOKU-WBVHZDCISA-N 2 2 346.475 1.382 20 0 EDADLP CO[C@H]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340300366 444377050 /nfs/dbraw/zinc/37/70/50/444377050.db2.gz LOMMCYNFHVMWOH-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CO[C@H]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340300366 444377053 /nfs/dbraw/zinc/37/70/53/444377053.db2.gz LOMMCYNFHVMWOH-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340652170 444472457 /nfs/dbraw/zinc/47/24/57/444472457.db2.gz ZVXKUZHIOLDGCU-HZPDHXFCSA-N 2 2 349.479 1.015 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340652170 444472459 /nfs/dbraw/zinc/47/24/59/444472459.db2.gz ZVXKUZHIOLDGCU-HZPDHXFCSA-N 2 2 349.479 1.015 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000579451939 321935832 /nfs/dbraw/zinc/93/58/32/321935832.db2.gz WRSZLPKIQLWNTD-ROUUACIJSA-N 2 2 339.443 1.825 20 0 EDADLP CCOc1cc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)ccc1O ZINC000340563516 444439750 /nfs/dbraw/zinc/43/97/50/444439750.db2.gz YLNLFUAMPPZNHZ-UHFFFAOYSA-N 2 2 347.459 1.531 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)CCc1[nH]cc[nH+]1 ZINC000329007346 444443326 /nfs/dbraw/zinc/44/33/26/444443326.db2.gz NIPYSYGPZRDZNX-KBXCAEBGSA-N 2 2 344.463 1.617 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)CCc1[nH]cc[nH+]1 ZINC000329007346 444443328 /nfs/dbraw/zinc/44/33/28/444443328.db2.gz NIPYSYGPZRDZNX-KBXCAEBGSA-N 2 2 344.463 1.617 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000579838413 321977319 /nfs/dbraw/zinc/97/73/19/321977319.db2.gz UZKVKTDCASMMMC-PBHICJAKSA-N 2 2 342.443 1.873 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340713774 444486271 /nfs/dbraw/zinc/48/62/71/444486271.db2.gz OCCHULZQZAGPJV-XHSDSOJGSA-N 2 2 333.480 1.435 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CCn2cc[nH+]c2)cc1 ZINC000338029092 444491570 /nfs/dbraw/zinc/49/15/70/444491570.db2.gz OYRWLXWKKIBBDB-SFHVURJKSA-N 2 2 342.443 1.771 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000580633567 322076011 /nfs/dbraw/zinc/07/60/11/322076011.db2.gz IGONBUCBQFYONZ-KGLIPLIRSA-N 2 2 329.448 1.766 20 0 EDADLP COC[C@]1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC[NH2+]1 ZINC000580708955 322085301 /nfs/dbraw/zinc/08/53/01/322085301.db2.gz VDAGWBCSZHWONC-QRQLOZEOSA-N 3 2 331.460 1.601 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)Cc2ccccc2C1 ZINC000580835704 322101880 /nfs/dbraw/zinc/10/18/80/322101880.db2.gz LVJFVDITLLWTCM-QGZVFWFLSA-N 2 2 338.455 1.661 20 0 EDADLP COCCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000580875266 322105765 /nfs/dbraw/zinc/10/57/65/322105765.db2.gz BPTMOTNQDBJWBB-SFHVURJKSA-N 2 2 340.439 1.404 20 0 EDADLP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000580888046 322108557 /nfs/dbraw/zinc/10/85/57/322108557.db2.gz FAYGTNSBXVUPOY-COZGXFGHSA-N 2 2 328.497 1.640 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)[nH+]c12 ZINC000581239487 322152847 /nfs/dbraw/zinc/15/28/47/322152847.db2.gz APDATJNYOQMTDA-CABCVRRESA-N 2 2 330.432 1.099 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)[nH+]c12 ZINC000581239487 322152851 /nfs/dbraw/zinc/15/28/51/322152851.db2.gz APDATJNYOQMTDA-CABCVRRESA-N 2 2 330.432 1.099 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581377755 322170614 /nfs/dbraw/zinc/17/06/14/322170614.db2.gz NPQVROWGTFTJMT-JKSUJKDBSA-N 2 2 349.479 1.243 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000581437014 322177954 /nfs/dbraw/zinc/17/79/54/322177954.db2.gz UUOKFDQBHDAKGH-GDBMZVCRSA-N 2 2 334.439 1.286 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000581437014 322177957 /nfs/dbraw/zinc/17/79/57/322177957.db2.gz UUOKFDQBHDAKGH-GDBMZVCRSA-N 2 2 334.439 1.286 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000329223808 444505878 /nfs/dbraw/zinc/50/58/78/444505878.db2.gz YPWTXWMRHUZHDP-BRWVUGGUSA-N 2 2 345.491 1.891 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000581979702 322239816 /nfs/dbraw/zinc/23/98/16/322239816.db2.gz RPGCGNLEYKKADT-XJKSGUPXSA-N 2 2 343.537 1.651 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000581979702 322239819 /nfs/dbraw/zinc/23/98/19/322239819.db2.gz RPGCGNLEYKKADT-XJKSGUPXSA-N 2 2 343.537 1.651 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000581993062 322241631 /nfs/dbraw/zinc/24/16/31/322241631.db2.gz BYGHXAADSATSNU-UHFFFAOYSA-N 2 2 349.479 1.208 20 0 EDADLP Cc1cc(C)cc(OCC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000581998005 322242691 /nfs/dbraw/zinc/24/26/91/322242691.db2.gz OPNGYQRMKYPWMB-BZSNNMDCSA-N 2 2 336.476 1.742 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342134820 444526507 /nfs/dbraw/zinc/52/65/07/444526507.db2.gz NUMXUEZPXYCINU-NSHDSACASA-N 2 2 334.420 1.452 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338147679 444536185 /nfs/dbraw/zinc/53/61/85/444536185.db2.gz CMMYEKGBOCLTNY-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338147679 444536190 /nfs/dbraw/zinc/53/61/90/444536190.db2.gz CMMYEKGBOCLTNY-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000343707336 444533848 /nfs/dbraw/zinc/53/38/48/444533848.db2.gz HVWPUCUTMUADKS-MRXNPFEDSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000343707336 444533851 /nfs/dbraw/zinc/53/38/51/444533851.db2.gz HVWPUCUTMUADKS-MRXNPFEDSA-N 2 2 336.524 1.536 20 0 EDADLP CO[C@H]1CCC[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000343756841 444568767 /nfs/dbraw/zinc/56/87/67/444568767.db2.gz NXQNXHXOYHXBNI-FSGLHJGXSA-N 2 2 349.519 1.961 20 0 EDADLP CO[C@H]1CCC[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000343756841 444568770 /nfs/dbraw/zinc/56/87/70/444568770.db2.gz NXQNXHXOYHXBNI-FSGLHJGXSA-N 2 2 349.519 1.961 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000340854257 444544701 /nfs/dbraw/zinc/54/47/01/444544701.db2.gz XXCWSUBRDRYYBC-QGZVFWFLSA-N 2 2 346.475 1.692 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000340854257 444544706 /nfs/dbraw/zinc/54/47/06/444544706.db2.gz XXCWSUBRDRYYBC-QGZVFWFLSA-N 2 2 346.475 1.692 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC[N@@H+]1C ZINC000342353192 444649940 /nfs/dbraw/zinc/64/99/40/444649940.db2.gz GMUYXYCLGBMTCV-GDBMZVCRSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC[N@H+]1C ZINC000342353192 444649943 /nfs/dbraw/zinc/64/99/43/444649943.db2.gz GMUYXYCLGBMTCV-GDBMZVCRSA-N 2 2 347.463 1.200 20 0 EDADLP CN(C(=O)c1cn(C)nn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000329630554 444657099 /nfs/dbraw/zinc/65/70/99/444657099.db2.gz HXYZSLYXAXYLTJ-DLBZAZTESA-N 2 2 348.495 1.224 20 0 EDADLP CN(C(=O)c1cn(C)nn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000329630554 444657100 /nfs/dbraw/zinc/65/71/00/444657100.db2.gz HXYZSLYXAXYLTJ-DLBZAZTESA-N 2 2 348.495 1.224 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916142 444666330 /nfs/dbraw/zinc/66/63/30/444666330.db2.gz AZVNWUTYRYFMJH-ZHALLVOQSA-N 2 2 344.503 1.971 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916142 444666335 /nfs/dbraw/zinc/66/63/35/444666335.db2.gz AZVNWUTYRYFMJH-ZHALLVOQSA-N 2 2 344.503 1.971 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnns3)CC2)CC1 ZINC000329695170 444683051 /nfs/dbraw/zinc/68/30/51/444683051.db2.gz XHLWXSYYZFASTR-UHFFFAOYSA-N 2 2 337.493 1.304 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CC(C)(C)O ZINC000333120364 444640240 /nfs/dbraw/zinc/64/02/40/444640240.db2.gz ZSKNIRZDEGWSPC-GJZGRUSLSA-N 2 2 349.479 1.247 20 0 EDADLP 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PNQMKKOXVBFCKJ-JTDSTZFVSA-N 2 2 348.491 1.683 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000343241427 445156431 /nfs/dbraw/zinc/15/64/31/445156431.db2.gz IOKXBJNLSPVWTF-QZWWFDLISA-N 2 2 328.460 1.707 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000343241427 445156434 /nfs/dbraw/zinc/15/64/34/445156434.db2.gz IOKXBJNLSPVWTF-QZWWFDLISA-N 2 2 328.460 1.707 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000343403823 445216753 /nfs/dbraw/zinc/21/67/53/445216753.db2.gz ITHQNYVXPNCOQI-ZWKOTPCHSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000343403823 445216754 /nfs/dbraw/zinc/21/67/54/445216754.db2.gz ITHQNYVXPNCOQI-ZWKOTPCHSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000343403823 445216757 /nfs/dbraw/zinc/21/67/57/445216757.db2.gz ITHQNYVXPNCOQI-ZWKOTPCHSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000343403823 445216759 /nfs/dbraw/zinc/21/67/59/445216759.db2.gz ITHQNYVXPNCOQI-ZWKOTPCHSA-N 2 2 335.492 1.763 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)C1 ZINC000343425219 445220432 /nfs/dbraw/zinc/22/04/32/445220432.db2.gz BGSOYAXZFHYNQL-CRAIPNDOSA-N 2 2 341.459 1.952 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)C1 ZINC000343425219 445220434 /nfs/dbraw/zinc/22/04/34/445220434.db2.gz BGSOYAXZFHYNQL-CRAIPNDOSA-N 2 2 341.459 1.952 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000354463657 445248356 /nfs/dbraw/zinc/24/83/56/445248356.db2.gz NOIFVQRYCKIPNK-HOCLYGCPSA-N 2 2 346.479 1.448 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000354463657 445248357 /nfs/dbraw/zinc/24/83/57/445248357.db2.gz NOIFVQRYCKIPNK-HOCLYGCPSA-N 2 2 346.479 1.448 20 0 EDADLP COCCN1C(=O)N[C@H]2C[N@@H+](CCCc3c[nH+]ccc3C)CC[C@H]21 ZINC000348516811 445310523 /nfs/dbraw/zinc/31/05/23/445310523.db2.gz TXRQFYGTWSKEIE-DLBZAZTESA-N 2 2 332.448 1.437 20 0 EDADLP COCCN1C(=O)N[C@H]2C[N@H+](CCCc3c[nH+]ccc3C)CC[C@H]21 ZINC000348516811 445310527 /nfs/dbraw/zinc/31/05/27/445310527.db2.gz TXRQFYGTWSKEIE-DLBZAZTESA-N 2 2 332.448 1.437 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351760643 445311590 /nfs/dbraw/zinc/31/15/90/445311590.db2.gz VLGXFZJWBOKPEX-ZACQAIPSSA-N 2 2 325.497 1.532 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351760643 445311593 /nfs/dbraw/zinc/31/15/93/445311593.db2.gz VLGXFZJWBOKPEX-ZACQAIPSSA-N 2 2 325.497 1.532 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2CC(C(F)(F)F)C2)CC1 ZINC000354620226 445318031 /nfs/dbraw/zinc/31/80/31/445318031.db2.gz BETYFUKLCBAMHM-UHFFFAOYSA-N 2 2 336.402 1.653 20 0 EDADLP CC[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348110205 445272205 /nfs/dbraw/zinc/27/22/05/445272205.db2.gz BPQSCSDAKWKEJP-KKUMJFAQSA-N 2 2 339.459 1.179 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348110205 445272209 /nfs/dbraw/zinc/27/22/09/445272209.db2.gz BPQSCSDAKWKEJP-KKUMJFAQSA-N 2 2 339.459 1.179 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000351710845 445286077 /nfs/dbraw/zinc/28/60/77/445286077.db2.gz VCDAMSYGVBNHME-IIAWOOMASA-N 2 2 336.436 1.080 20 0 EDADLP COC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000351710845 445286079 /nfs/dbraw/zinc/28/60/79/445286079.db2.gz VCDAMSYGVBNHME-IIAWOOMASA-N 2 2 336.436 1.080 20 0 EDADLP COc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc2c1OCO2 ZINC000362377043 445352378 /nfs/dbraw/zinc/35/23/78/445352378.db2.gz UOXKSIOXTIPWMG-MRXNPFEDSA-N 2 2 347.459 1.636 20 0 EDADLP COc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc2c1OCO2 ZINC000362377043 445352381 /nfs/dbraw/zinc/35/23/81/445352381.db2.gz UOXKSIOXTIPWMG-MRXNPFEDSA-N 2 2 347.459 1.636 20 0 EDADLP CC[C@H]1C[C@@H](C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CCO1 ZINC000356975045 445356417 /nfs/dbraw/zinc/35/64/17/445356417.db2.gz CBZMXIGOCWZFHW-HOTGVXAUSA-N 2 2 333.480 1.870 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357083372 445416588 /nfs/dbraw/zinc/41/65/88/445416588.db2.gz PASJJWYJQYXRPX-JKSUJKDBSA-N 2 2 347.459 1.122 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357083372 445416591 /nfs/dbraw/zinc/41/65/91/445416591.db2.gz PASJJWYJQYXRPX-JKSUJKDBSA-N 2 2 347.459 1.122 20 0 EDADLP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000354841976 445420169 /nfs/dbraw/zinc/42/01/69/445420169.db2.gz AFKLWUYZEFSLCJ-KGLIPLIRSA-N 2 2 333.411 1.531 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000362517983 445420901 /nfs/dbraw/zinc/42/09/01/445420901.db2.gz AGYATTIBPYZAQG-VXGBXAGGSA-N 2 2 347.385 1.973 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000362517983 445420906 /nfs/dbraw/zinc/42/09/06/445420906.db2.gz AGYATTIBPYZAQG-VXGBXAGGSA-N 2 2 347.385 1.973 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000357094327 445424607 /nfs/dbraw/zinc/42/46/07/445424607.db2.gz ZJASSJQPVGJFJQ-CVEARBPZSA-N 2 2 346.450 1.016 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000357094327 445424612 /nfs/dbraw/zinc/42/46/12/445424612.db2.gz ZJASSJQPVGJFJQ-CVEARBPZSA-N 2 2 346.450 1.016 20 0 EDADLP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[NH+](CC)CC ZINC000359796239 445432015 /nfs/dbraw/zinc/43/20/15/445432015.db2.gz NISMDPOQOUFUMD-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[N@@H+]1C ZINC000351951547 445395139 /nfs/dbraw/zinc/39/51/39/445395139.db2.gz LJPHTALHMUQKSV-MSOLQXFVSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[N@H+]1C ZINC000351951547 445395143 /nfs/dbraw/zinc/39/51/43/445395143.db2.gz LJPHTALHMUQKSV-MSOLQXFVSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000362636954 445473397 /nfs/dbraw/zinc/47/33/97/445473397.db2.gz DSFDROMFQCWXFF-KRWDZBQOSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000362636954 445473400 /nfs/dbraw/zinc/47/34/00/445473400.db2.gz DSFDROMFQCWXFF-KRWDZBQOSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@@H]1[NH+](C)C ZINC000362657887 445482502 /nfs/dbraw/zinc/48/25/02/445482502.db2.gz ZZRCXAARFLCRNU-MNOVXSKESA-N 2 2 333.358 1.537 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cc[nH]n2)cc[nH+]1 ZINC000354917830 445433778 /nfs/dbraw/zinc/43/37/78/445433778.db2.gz IALQQBGPFJMYDX-JSGCOSHPSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cc[nH]n2)cc[nH+]1 ZINC000354917830 445433779 /nfs/dbraw/zinc/43/37/79/445433779.db2.gz IALQQBGPFJMYDX-JSGCOSHPSA-N 2 2 333.415 1.315 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1)c1ccccc1 ZINC000362557203 445438845 /nfs/dbraw/zinc/43/88/45/445438845.db2.gz AZLAHSUWMNJUIV-MSOLQXFVSA-N 2 2 331.460 1.516 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCO[C@H](C2CC2)C1)c1ccccc1 ZINC000362557203 445438847 /nfs/dbraw/zinc/43/88/47/445438847.db2.gz AZLAHSUWMNJUIV-MSOLQXFVSA-N 2 2 331.460 1.516 20 0 EDADLP Cc1ccc(C)n1[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362711160 445512826 /nfs/dbraw/zinc/51/28/26/445512826.db2.gz OAAASFUGTKDQAE-IRXDYDNUSA-N 2 2 332.492 1.951 20 0 EDADLP Cc1ccc(C)n1[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362711160 445512831 /nfs/dbraw/zinc/51/28/31/445512831.db2.gz OAAASFUGTKDQAE-IRXDYDNUSA-N 2 2 332.492 1.951 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000349128332 445516479 /nfs/dbraw/zinc/51/64/79/445516479.db2.gz KFQWYFMFTORHAV-HNNXBMFYSA-N 2 2 345.447 1.786 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000349128332 445516481 /nfs/dbraw/zinc/51/64/81/445516481.db2.gz KFQWYFMFTORHAV-HNNXBMFYSA-N 2 2 345.447 1.786 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)c1 ZINC000357234134 445496981 /nfs/dbraw/zinc/49/69/81/445496981.db2.gz AZSRRKULPHLWFD-HUUCEWRRSA-N 2 2 331.460 1.756 20 0 EDADLP COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000352108774 445498134 /nfs/dbraw/zinc/49/81/34/445498134.db2.gz ZLLOIQLRKKAJKL-QAPCUYQASA-N 2 2 333.432 1.043 20 0 EDADLP COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000352108774 445498135 /nfs/dbraw/zinc/49/81/35/445498135.db2.gz ZLLOIQLRKKAJKL-QAPCUYQASA-N 2 2 333.432 1.043 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357302353 445536116 /nfs/dbraw/zinc/53/61/16/445536116.db2.gz QFMXMKXPRPAJML-VKJFTORMSA-N 2 2 331.460 1.635 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c[nH]1 ZINC000349302009 445559477 /nfs/dbraw/zinc/55/94/77/445559477.db2.gz WAPOGYXBQVVPDT-AWEZNQCLSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c[nH]1 ZINC000349302009 445559480 /nfs/dbraw/zinc/55/94/80/445559480.db2.gz WAPOGYXBQVVPDT-AWEZNQCLSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c[nH]1 ZINC000349302009 445559485 /nfs/dbraw/zinc/55/94/85/445559485.db2.gz WAPOGYXBQVVPDT-AWEZNQCLSA-N 2 2 334.464 1.402 20 0 EDADLP COC(=O)c1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c[nH]1 ZINC000349302009 445559489 /nfs/dbraw/zinc/55/94/89/445559489.db2.gz WAPOGYXBQVVPDT-AWEZNQCLSA-N 2 2 334.464 1.402 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362810291 445559533 /nfs/dbraw/zinc/55/95/33/445559533.db2.gz YEBOLHBKTTUKMR-UHFFFAOYSA-N 2 2 341.459 1.440 20 0 EDADLP COc1c(C)c[nH+]c(CN2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362836487 445574013 /nfs/dbraw/zinc/57/40/13/445574013.db2.gz HFZTZZNQSAZLQS-HNNXBMFYSA-N 2 2 332.448 1.103 20 0 EDADLP COc1c(C)cnc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362836487 445574018 /nfs/dbraw/zinc/57/40/18/445574018.db2.gz HFZTZZNQSAZLQS-HNNXBMFYSA-N 2 2 332.448 1.103 20 0 EDADLP COc1c(C)cnc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362836487 445574023 /nfs/dbraw/zinc/57/40/23/445574023.db2.gz HFZTZZNQSAZLQS-HNNXBMFYSA-N 2 2 332.448 1.103 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000360125177 445581711 /nfs/dbraw/zinc/58/17/11/445581711.db2.gz OAUJTSQDTNBFHO-HOTGVXAUSA-N 2 2 348.495 1.421 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000360125177 445581714 /nfs/dbraw/zinc/58/17/14/445581714.db2.gz OAUJTSQDTNBFHO-HOTGVXAUSA-N 2 2 348.495 1.421 20 0 EDADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000360125177 445581718 /nfs/dbraw/zinc/58/17/18/445581718.db2.gz OAUJTSQDTNBFHO-HOTGVXAUSA-N 2 2 348.495 1.421 20 0 EDADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000360125177 445581721 /nfs/dbraw/zinc/58/17/21/445581721.db2.gz OAUJTSQDTNBFHO-HOTGVXAUSA-N 2 2 348.495 1.421 20 0 EDADLP CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000356038340 445583127 /nfs/dbraw/zinc/58/31/27/445583127.db2.gz SCKUZOFWLSWTKR-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000356038340 445583131 /nfs/dbraw/zinc/58/31/31/445583131.db2.gz SCKUZOFWLSWTKR-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Cc3ccc(F)cc3)CC2)CC1 ZINC000357310642 445541671 /nfs/dbraw/zinc/54/16/71/445541671.db2.gz UUQHKTWXMZSLRC-UHFFFAOYSA-N 2 2 333.451 1.854 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000362917713 445609674 /nfs/dbraw/zinc/60/96/74/445609674.db2.gz VONQYODJLOCKGH-UHFFFAOYSA-N 2 2 335.452 1.170 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000362917713 445609680 /nfs/dbraw/zinc/60/96/80/445609680.db2.gz VONQYODJLOCKGH-UHFFFAOYSA-N 2 2 335.452 1.170 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000356091141 445614910 /nfs/dbraw/zinc/61/49/10/445614910.db2.gz MCQJHCIPDNFQGB-SJLPKXTDSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000356091141 445614915 /nfs/dbraw/zinc/61/49/15/445614915.db2.gz MCQJHCIPDNFQGB-SJLPKXTDSA-N 2 2 348.491 1.179 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000362943245 445620237 /nfs/dbraw/zinc/62/02/37/445620237.db2.gz SXFYWFCMCCCHGN-QGZVFWFLSA-N 2 2 331.460 1.670 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000362943245 445620243 /nfs/dbraw/zinc/62/02/43/445620243.db2.gz SXFYWFCMCCCHGN-QGZVFWFLSA-N 2 2 331.460 1.670 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000362944695 445621513 /nfs/dbraw/zinc/62/15/13/445621513.db2.gz HSDADMOVQBILDY-INIZCTEOSA-N 2 2 349.479 1.513 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353501258 445631746 /nfs/dbraw/zinc/63/17/46/445631746.db2.gz YTCCLVSACXOERR-MLHJIOFPSA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353501258 445631748 /nfs/dbraw/zinc/63/17/48/445631748.db2.gz YTCCLVSACXOERR-MLHJIOFPSA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353501258 445631752 /nfs/dbraw/zinc/63/17/52/445631752.db2.gz YTCCLVSACXOERR-MLHJIOFPSA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353501258 445631756 /nfs/dbraw/zinc/63/17/56/445631756.db2.gz YTCCLVSACXOERR-MLHJIOFPSA-N 3 2 336.524 1.392 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000360142797 445592265 /nfs/dbraw/zinc/59/22/65/445592265.db2.gz VNHFCQPKQUPMIQ-UHFFFAOYSA-N 2 2 339.403 1.662 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(C)(C)n1cncn1 ZINC000353582293 445666567 /nfs/dbraw/zinc/66/65/67/445666567.db2.gz QLQNRUHFSBVJHO-ZOBUZTSGSA-N 2 2 345.495 1.808 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(C)(C)n1cncn1 ZINC000353582293 445666570 /nfs/dbraw/zinc/66/65/70/445666570.db2.gz QLQNRUHFSBVJHO-ZOBUZTSGSA-N 2 2 345.495 1.808 20 0 EDADLP CC[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363100538 445677800 /nfs/dbraw/zinc/67/78/00/445677800.db2.gz HRXJOKKGDJIFNQ-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363100538 445677802 /nfs/dbraw/zinc/67/78/02/445677802.db2.gz HRXJOKKGDJIFNQ-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363100538 445677804 /nfs/dbraw/zinc/67/78/04/445677804.db2.gz HRXJOKKGDJIFNQ-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363100538 445677805 /nfs/dbraw/zinc/67/78/05/445677805.db2.gz HRXJOKKGDJIFNQ-OALUTQOASA-N 2 2 345.487 1.878 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358695648 445722540 /nfs/dbraw/zinc/72/25/40/445722540.db2.gz RCDGKHBFTSYIEZ-LZWOXQAQSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358695648 445722545 /nfs/dbraw/zinc/72/25/45/445722545.db2.gz RCDGKHBFTSYIEZ-LZWOXQAQSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358695648 445722548 /nfs/dbraw/zinc/72/25/48/445722548.db2.gz RCDGKHBFTSYIEZ-LZWOXQAQSA-N 2 2 349.479 1.034 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000353827125 445773146 /nfs/dbraw/zinc/77/31/46/445773146.db2.gz NQWUJNOSBYCXTO-LSDHHAIUSA-N 2 2 336.484 1.528 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000353827125 445773149 /nfs/dbraw/zinc/77/31/49/445773149.db2.gz NQWUJNOSBYCXTO-LSDHHAIUSA-N 2 2 336.484 1.528 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@H](C)[N@H+]1C ZINC000358705630 445730440 /nfs/dbraw/zinc/73/04/40/445730440.db2.gz AXHCGIUHRXEAPE-JTDSTZFVSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@H](C)[N@@H+]1C ZINC000358705630 445730443 /nfs/dbraw/zinc/73/04/43/445730443.db2.gz AXHCGIUHRXEAPE-JTDSTZFVSA-N 2 2 345.487 1.735 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000363225537 445730556 /nfs/dbraw/zinc/73/05/56/445730556.db2.gz MBBYJWJTQBFTQN-RDJZCZTQSA-N 2 2 327.432 1.837 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@@H](C)[NH+]1C ZINC000358720782 445741558 /nfs/dbraw/zinc/74/15/58/445741558.db2.gz VVVJBDVRLZEFMS-HZPDHXFCSA-N 2 2 331.460 1.683 20 0 EDADLP CC1CC[NH+](C[C@H](O)CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)CC1 ZINC000358741559 445753580 /nfs/dbraw/zinc/75/35/80/445753580.db2.gz AWMVZZDFOIBHCF-IAGOWNOFSA-N 2 2 329.448 1.577 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000353797252 445760896 /nfs/dbraw/zinc/76/08/96/445760896.db2.gz KWXDVTWIOOAFND-IAGOWNOFSA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000353797252 445760899 /nfs/dbraw/zinc/76/08/99/445760899.db2.gz KWXDVTWIOOAFND-IAGOWNOFSA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000353797252 445760902 /nfs/dbraw/zinc/76/09/02/445760902.db2.gz KWXDVTWIOOAFND-IAGOWNOFSA-N 2 2 341.496 1.057 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000353797252 445760905 /nfs/dbraw/zinc/76/09/05/445760905.db2.gz KWXDVTWIOOAFND-IAGOWNOFSA-N 2 2 341.496 1.057 20 0 EDADLP CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363493127 445829655 /nfs/dbraw/zinc/82/96/55/445829655.db2.gz MABXAGYCIQUUCF-IBGZPJMESA-N 2 2 347.503 1.922 20 0 EDADLP CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363493127 445829662 /nfs/dbraw/zinc/82/96/62/445829662.db2.gz MABXAGYCIQUUCF-IBGZPJMESA-N 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/nfs/dbraw/zinc/81/22/73/445812273.db2.gz LEXNEWFOQHHTRR-ZDUSSCGKSA-N 2 2 326.466 1.514 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)C1 ZINC000356602028 445880250 /nfs/dbraw/zinc/88/02/50/445880250.db2.gz UOVSUUGCAYTBBR-YJBOKZPZSA-N 2 2 346.475 1.564 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)C1 ZINC000356602028 445880254 /nfs/dbraw/zinc/88/02/54/445880254.db2.gz UOVSUUGCAYTBBR-YJBOKZPZSA-N 2 2 346.475 1.564 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979488 445837906 /nfs/dbraw/zinc/83/79/06/445837906.db2.gz QZGQJNDXIRBFMV-QCLGFWRNSA-N 3 2 336.524 1.390 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979488 445837909 /nfs/dbraw/zinc/83/79/09/445837909.db2.gz QZGQJNDXIRBFMV-QCLGFWRNSA-N 3 2 336.524 1.390 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979488 445837910 /nfs/dbraw/zinc/83/79/10/445837910.db2.gz QZGQJNDXIRBFMV-QCLGFWRNSA-N 3 2 336.524 1.390 20 0 EDADLP CC[NH+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979488 445837913 /nfs/dbraw/zinc/83/79/13/445837913.db2.gz QZGQJNDXIRBFMV-QCLGFWRNSA-N 3 2 336.524 1.390 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000356568702 445863072 /nfs/dbraw/zinc/86/30/72/445863072.db2.gz JVMJEIFNHQGMKX-YOEHRIQHSA-N 2 2 332.448 1.256 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)C1 ZINC000356568702 445863075 /nfs/dbraw/zinc/86/30/75/445863075.db2.gz JVMJEIFNHQGMKX-YOEHRIQHSA-N 2 2 332.448 1.256 20 0 EDADLP CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@@H+]1C[C@H](C)O ZINC000363734733 445872613 /nfs/dbraw/zinc/87/26/13/445872613.db2.gz BMGMZJBBZFVGDH-HRCADAONSA-N 2 2 349.479 1.247 20 0 EDADLP CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@H+]1C[C@H](C)O ZINC000363734733 445872620 /nfs/dbraw/zinc/87/26/20/445872620.db2.gz BMGMZJBBZFVGDH-HRCADAONSA-N 2 2 349.479 1.247 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000361775468 445933460 /nfs/dbraw/zinc/93/34/60/445933460.db2.gz WGEGCYVUPQNVFA-IKGGRYGDSA-N 2 2 339.528 1.137 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000361775468 445933461 /nfs/dbraw/zinc/93/34/61/445933461.db2.gz WGEGCYVUPQNVFA-IKGGRYGDSA-N 2 2 339.528 1.137 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364334866 445911350 /nfs/dbraw/zinc/91/13/50/445911350.db2.gz CNRQNETYUZAGLG-RRFJBIMHSA-N 2 2 333.436 1.510 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364334866 445911356 /nfs/dbraw/zinc/91/13/56/445911356.db2.gz CNRQNETYUZAGLG-RRFJBIMHSA-N 2 2 333.436 1.510 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](Cc3nnc(C(C)C)n3C)CC2)CC1 ZINC000369156742 445959565 /nfs/dbraw/zinc/95/95/65/445959565.db2.gz PTXVSQDJGGGFLR-UHFFFAOYSA-N 2 2 348.539 1.931 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000369202416 445989877 /nfs/dbraw/zinc/98/98/77/445989877.db2.gz BOZCDGDOALRPFH-HNNXBMFYSA-N 2 2 326.404 1.257 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000369202416 445989884 /nfs/dbraw/zinc/98/98/84/445989884.db2.gz BOZCDGDOALRPFH-HNNXBMFYSA-N 2 2 326.404 1.257 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000369206084 445993031 /nfs/dbraw/zinc/99/30/31/445993031.db2.gz SRBRUMYRQVHLOV-QGZVFWFLSA-N 2 2 342.447 1.490 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000369206084 445993034 /nfs/dbraw/zinc/99/30/34/445993034.db2.gz SRBRUMYRQVHLOV-QGZVFWFLSA-N 2 2 342.447 1.490 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365107702 446029599 /nfs/dbraw/zinc/02/95/99/446029599.db2.gz IYNCMAVEMQUGPH-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000365107702 446029607 /nfs/dbraw/zinc/02/96/07/446029607.db2.gz IYNCMAVEMQUGPH-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP COc1ccccc1OCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369272327 446036777 /nfs/dbraw/zinc/03/67/77/446036777.db2.gz BAVILLDTEZUPTJ-HNNXBMFYSA-N 2 2 347.459 1.359 20 0 EDADLP COc1ccccc1OCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369272327 446036782 /nfs/dbraw/zinc/03/67/82/446036782.db2.gz BAVILLDTEZUPTJ-HNNXBMFYSA-N 2 2 347.459 1.359 20 0 EDADLP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](c3ncc[nH]3)c3ccncc3)C2)CC1 ZINC000365075216 446009780 /nfs/dbraw/zinc/00/97/80/446009780.db2.gz YZGDSKOEASFVOY-SJLPKXTDSA-N 2 2 340.475 1.652 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351386655 446053668 /nfs/dbraw/zinc/05/36/68/446053668.db2.gz PEFCLTUFSKPZBG-MAUKXSAKSA-N 2 2 331.460 1.792 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351386655 446053674 /nfs/dbraw/zinc/05/36/74/446053674.db2.gz PEFCLTUFSKPZBG-MAUKXSAKSA-N 2 2 331.460 1.792 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351386655 446053678 /nfs/dbraw/zinc/05/36/78/446053678.db2.gz PEFCLTUFSKPZBG-MAUKXSAKSA-N 2 2 331.460 1.792 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1 ZINC000351386655 446053683 /nfs/dbraw/zinc/05/36/83/446053683.db2.gz PEFCLTUFSKPZBG-MAUKXSAKSA-N 2 2 331.460 1.792 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1-c1ncco1 ZINC000583552814 326093800 /nfs/dbraw/zinc/09/38/00/326093800.db2.gz VRGBNWDCQGRYPT-CQSZACIVSA-N 2 2 329.404 1.757 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000583659102 326112383 /nfs/dbraw/zinc/11/23/83/326112383.db2.gz DTSOZXPFDGZJJT-CQSZACIVSA-N 2 2 334.445 1.442 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000583659102 326112387 /nfs/dbraw/zinc/11/23/87/326112387.db2.gz DTSOZXPFDGZJJT-CQSZACIVSA-N 2 2 334.445 1.442 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])ccc21 ZINC000583860148 326153722 /nfs/dbraw/zinc/15/37/22/326153722.db2.gz PBKWLEKTQZPUGE-WBVHZDCISA-N 3 2 331.464 1.342 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])ccc21 ZINC000583860148 326153724 /nfs/dbraw/zinc/15/37/24/326153724.db2.gz PBKWLEKTQZPUGE-WBVHZDCISA-N 3 2 331.464 1.342 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583881360 326159888 /nfs/dbraw/zinc/15/98/88/326159888.db2.gz ZOQMOXLBDVSRSN-CJNGLKHVSA-N 2 2 339.867 1.780 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)CCN2C1=O ZINC000584124357 326205223 /nfs/dbraw/zinc/20/52/23/326205223.db2.gz CNFOTEYRGRVJAO-KBPBESRZSA-N 2 2 328.441 1.554 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)CCN2C1=O ZINC000584124357 326205225 /nfs/dbraw/zinc/20/52/25/326205225.db2.gz CNFOTEYRGRVJAO-KBPBESRZSA-N 2 2 328.441 1.554 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000356851454 446069225 /nfs/dbraw/zinc/06/92/25/446069225.db2.gz MUJCNPMHIQDTBC-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000356851454 446069233 /nfs/dbraw/zinc/06/92/33/446069233.db2.gz MUJCNPMHIQDTBC-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000356851454 446069237 /nfs/dbraw/zinc/06/92/37/446069237.db2.gz MUJCNPMHIQDTBC-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000354277156 446074605 /nfs/dbraw/zinc/07/46/05/446074605.db2.gz ZEYDMWKPIUMKQI-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000354277156 446074610 /nfs/dbraw/zinc/07/46/10/446074610.db2.gz ZEYDMWKPIUMKQI-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354277156 446074616 /nfs/dbraw/zinc/07/46/16/446074616.db2.gz ZEYDMWKPIUMKQI-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354277156 446074621 /nfs/dbraw/zinc/07/46/21/446074621.db2.gz ZEYDMWKPIUMKQI-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000354280952 446077534 /nfs/dbraw/zinc/07/75/34/446077534.db2.gz DCDOBKAKXZOWTA-ROUUACIJSA-N 2 2 348.466 1.152 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000354280952 446077541 /nfs/dbraw/zinc/07/75/41/446077541.db2.gz DCDOBKAKXZOWTA-ROUUACIJSA-N 2 2 348.466 1.152 20 0 EDADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354280952 446077549 /nfs/dbraw/zinc/07/75/49/446077549.db2.gz DCDOBKAKXZOWTA-ROUUACIJSA-N 2 2 348.466 1.152 20 0 EDADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000354280952 446077557 /nfs/dbraw/zinc/07/75/57/446077557.db2.gz DCDOBKAKXZOWTA-ROUUACIJSA-N 2 2 348.466 1.152 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3N3CCCC3=O)C[C@@H]12 ZINC000351486359 446086659 /nfs/dbraw/zinc/08/66/59/446086659.db2.gz ACNSDJGRZOCMLR-RRFJBIMHSA-N 2 2 342.443 1.421 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3N3CCCC3=O)C[C@@H]12 ZINC000351486359 446086662 /nfs/dbraw/zinc/08/66/62/446086662.db2.gz ACNSDJGRZOCMLR-RRFJBIMHSA-N 2 2 342.443 1.421 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000365223902 446086939 /nfs/dbraw/zinc/08/69/39/446086939.db2.gz WFEBZWBXINAYSU-OAHLLOKOSA-N 2 2 328.391 1.969 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+]C2CC[NH+](CCCC3CCOCC3)CC2)C1 ZINC000365232725 446092825 /nfs/dbraw/zinc/09/28/25/446092825.db2.gz FDKKFWZPLLIULT-QGZVFWFLSA-N 2 2 344.521 1.434 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C1CC1)C1CC1 ZINC000369367927 446107539 /nfs/dbraw/zinc/10/75/39/446107539.db2.gz AIAWXHBCPVQNAU-INIZCTEOSA-N 2 2 334.508 1.985 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C1CC1)C1CC1 ZINC000369367927 446107547 /nfs/dbraw/zinc/10/75/47/446107547.db2.gz AIAWXHBCPVQNAU-INIZCTEOSA-N 2 2 334.508 1.985 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)CC1 ZINC000351519254 446122302 /nfs/dbraw/zinc/12/23/02/446122302.db2.gz OJLCDQHPSCNBOS-INIZCTEOSA-N 2 2 327.469 1.106 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)CC1 ZINC000351519254 446122308 /nfs/dbraw/zinc/12/23/08/446122308.db2.gz OJLCDQHPSCNBOS-INIZCTEOSA-N 2 2 327.469 1.106 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000359288511 446124052 /nfs/dbraw/zinc/12/40/52/446124052.db2.gz ZFXYTSSDAPMUBJ-DARAHFNDSA-N 2 2 345.443 1.175 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000359288511 446124058 /nfs/dbraw/zinc/12/40/58/446124058.db2.gz ZFXYTSSDAPMUBJ-DARAHFNDSA-N 2 2 345.443 1.175 20 0 EDADLP CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C(C)C ZINC000356918790 446124144 /nfs/dbraw/zinc/12/41/44/446124144.db2.gz MMYDEGLEURQXDZ-LPHOPBHVSA-N 2 2 346.475 1.854 20 0 EDADLP CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C(C)C ZINC000356918790 446124150 /nfs/dbraw/zinc/12/41/50/446124150.db2.gz MMYDEGLEURQXDZ-LPHOPBHVSA-N 2 2 346.475 1.854 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000351527831 446128995 /nfs/dbraw/zinc/12/89/95/446128995.db2.gz BWUMIONHDPVLPC-INIZCTEOSA-N 2 2 332.496 1.905 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000351527831 446129000 /nfs/dbraw/zinc/12/90/00/446129000.db2.gz BWUMIONHDPVLPC-INIZCTEOSA-N 2 2 332.496 1.905 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370159120 446186614 /nfs/dbraw/zinc/18/66/14/446186614.db2.gz FKXPHOPBEXZTLW-HZPDHXFCSA-N 3 2 345.491 1.373 20 0 EDADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359317753 446146083 /nfs/dbraw/zinc/14/60/83/446146083.db2.gz YDKHCCSBGSVSRK-WOPDTQHZSA-N 2 2 325.359 1.766 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1)c1cccc(CO)c1 ZINC000362085940 446202728 /nfs/dbraw/zinc/20/27/28/446202728.db2.gz TVWNFCZPXYLFNH-INIZCTEOSA-N 2 2 345.487 1.916 20 0 EDADLP CC(C)N(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000362101539 446213777 /nfs/dbraw/zinc/21/37/77/446213777.db2.gz IJEAGAOPCWKIRA-INIZCTEOSA-N 2 2 326.485 1.221 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000354453529 446216542 /nfs/dbraw/zinc/21/65/42/446216542.db2.gz XNGADMLHMWZFAH-KFWWJZLASA-N 2 2 334.468 1.281 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000354453529 446216549 /nfs/dbraw/zinc/21/65/49/446216549.db2.gz XNGADMLHMWZFAH-KFWWJZLASA-N 2 2 334.468 1.281 20 0 EDADLP Cc1cc(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)on1 ZINC000351622833 446217045 /nfs/dbraw/zinc/21/70/45/446217045.db2.gz SSNSPJVZWNCIMQ-ZIAGYGMSSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1cc(C[N@H+](C)C[C@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)on1 ZINC000351622833 446217050 /nfs/dbraw/zinc/21/70/50/446217050.db2.gz SSNSPJVZWNCIMQ-ZIAGYGMSSA-N 2 2 348.426 1.888 20 0 EDADLP C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366467682 446226301 /nfs/dbraw/zinc/22/63/01/446226301.db2.gz CPVUCXAWHPUYBQ-CQSZACIVSA-N 2 2 343.431 1.481 20 0 EDADLP C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000366467682 446226305 /nfs/dbraw/zinc/22/63/05/446226305.db2.gz CPVUCXAWHPUYBQ-CQSZACIVSA-N 2 2 343.431 1.481 20 0 EDADLP C[NH+]1CC[C@@]2(CC[NH+](C/C=C/C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366484697 446232084 /nfs/dbraw/zinc/23/20/84/446232084.db2.gz ULOQFKMEGDQFBO-FMEUAVTJSA-N 4 2 332.536 1.598 20 0 EDADLP C[NH+]1CC[C@@]2(CC[NH+](C/C=C/C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366484697 446232091 /nfs/dbraw/zinc/23/20/91/446232091.db2.gz ULOQFKMEGDQFBO-FMEUAVTJSA-N 4 2 332.536 1.598 20 0 EDADLP C[NH+]1CC[C@@]2(CC[NH+](C/C=C/C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000366484697 446232095 /nfs/dbraw/zinc/23/20/95/446232095.db2.gz ULOQFKMEGDQFBO-FMEUAVTJSA-N 4 2 332.536 1.598 20 0 EDADLP C[NH+]1CC[C@@]2(CC[NH+](C/C=C/C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000366484697 446232100 /nfs/dbraw/zinc/23/21/00/446232100.db2.gz ULOQFKMEGDQFBO-FMEUAVTJSA-N 4 2 332.536 1.598 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000365499235 446232684 /nfs/dbraw/zinc/23/26/84/446232684.db2.gz WNUZIIVONOINJG-LSDHHAIUSA-N 2 2 349.504 1.065 20 0 EDADLP Cc1noc(C2C[NH+](C[C@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)n1 ZINC000365579335 446260579 /nfs/dbraw/zinc/26/05/79/446260579.db2.gz WQXRJNPSYOTNGC-HNNXBMFYSA-N 2 2 341.415 1.805 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C ZINC000359505891 446265240 /nfs/dbraw/zinc/26/52/40/446265240.db2.gz LGWNKECFHAMOMS-JKSUJKDBSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C ZINC000359505891 446265246 /nfs/dbraw/zinc/26/52/46/446265246.db2.gz LGWNKECFHAMOMS-JKSUJKDBSA-N 2 2 342.443 1.459 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C2 ZINC000365673435 446296103 /nfs/dbraw/zinc/29/61/03/446296103.db2.gz IVPOYZJBCIKMKO-INIZCTEOSA-N 2 2 335.496 1.096 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)C2 ZINC000365673435 446296104 /nfs/dbraw/zinc/29/61/04/446296104.db2.gz IVPOYZJBCIKMKO-INIZCTEOSA-N 2 2 335.496 1.096 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C2 ZINC000365673435 446296106 /nfs/dbraw/zinc/29/61/06/446296106.db2.gz IVPOYZJBCIKMKO-INIZCTEOSA-N 2 2 335.496 1.096 20 0 EDADLP C[C@H]1CN(C(=O)CCc2cnccn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373589984 446274318 /nfs/dbraw/zinc/27/43/18/446274318.db2.gz ZMFWXURWQNHUFP-HNNXBMFYSA-N 2 2 331.464 1.036 20 0 EDADLP C[C@H]1CN(C(=O)CCc2cnccn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373589984 446274324 /nfs/dbraw/zinc/27/43/24/446274324.db2.gz ZMFWXURWQNHUFP-HNNXBMFYSA-N 2 2 331.464 1.036 20 0 EDADLP CC(C)c1n[nH]cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365634171 446281909 /nfs/dbraw/zinc/28/19/09/446281909.db2.gz XJLOCRYXFPNAJE-OAHLLOKOSA-N 2 2 333.480 1.774 20 0 EDADLP CC(C)c1n[nH]cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365634171 446281912 /nfs/dbraw/zinc/28/19/12/446281912.db2.gz XJLOCRYXFPNAJE-OAHLLOKOSA-N 2 2 333.480 1.774 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@]3(CO)CCOC3)c2cc1C ZINC000359583300 446303808 /nfs/dbraw/zinc/30/38/08/446303808.db2.gz OWHDERBZSXVGPS-QAPCUYQASA-N 2 2 333.432 1.097 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@]3(CO)CCOC3)c2cc1C ZINC000359583300 446303812 /nfs/dbraw/zinc/30/38/12/446303812.db2.gz OWHDERBZSXVGPS-QAPCUYQASA-N 2 2 333.432 1.097 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000417515484 446359420 /nfs/dbraw/zinc/35/94/20/446359420.db2.gz DOLXXUQBHVSRAB-CABCVRRESA-N 2 2 326.485 1.447 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)C[N@@H+]1C1CC1 ZINC000370637623 446368319 /nfs/dbraw/zinc/36/83/19/446368319.db2.gz VFEYOASKNOVAKG-ILXRZTDVSA-N 2 2 328.460 1.579 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)C[N@H+]1C1CC1 ZINC000370637623 446368325 /nfs/dbraw/zinc/36/83/25/446368325.db2.gz VFEYOASKNOVAKG-ILXRZTDVSA-N 2 2 328.460 1.579 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(CC[NH3+])CCO)c(C)c1 ZINC000417927468 446387825 /nfs/dbraw/zinc/38/78/25/446387825.db2.gz FUKNAHAQTVMNTM-KRWDZBQOSA-N 2 2 345.447 1.204 20 0 EDADLP CC(C)NC(=O)C[N@@H+]1CCCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000366863561 446387882 /nfs/dbraw/zinc/38/78/82/446387882.db2.gz JJQZBMBZLMLFKI-UHFFFAOYSA-N 2 2 346.479 1.114 20 0 EDADLP CC(C)NC(=O)C[N@H+]1CCCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000366863561 446387886 /nfs/dbraw/zinc/38/78/86/446387886.db2.gz JJQZBMBZLMLFKI-UHFFFAOYSA-N 2 2 346.479 1.114 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417950165 446395775 /nfs/dbraw/zinc/39/57/75/446395775.db2.gz XFCVQRWFDLGISO-KBPBESRZSA-N 2 2 328.819 1.872 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417950165 446395780 /nfs/dbraw/zinc/39/57/80/446395780.db2.gz XFCVQRWFDLGISO-KBPBESRZSA-N 2 2 328.819 1.872 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000420249831 446431882 /nfs/dbraw/zinc/43/18/82/446431882.db2.gz SIPWJAGFMVUXJE-AWEZNQCLSA-N 2 2 332.452 1.122 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000420249831 446431888 /nfs/dbraw/zinc/43/18/88/446431888.db2.gz SIPWJAGFMVUXJE-AWEZNQCLSA-N 2 2 332.452 1.122 20 0 EDADLP COCC1(CNc2cc(N3CCSCC3)nc[nH+]2)CC[NH2+]CC1 ZINC000420249498 446431921 /nfs/dbraw/zinc/43/19/21/446431921.db2.gz XONAOHVYZCATMU-UHFFFAOYSA-N 2 2 337.493 1.458 20 0 EDADLP COCC1(CNc2cc(N3CCSCC3)[nH+]cn2)CC[NH2+]CC1 ZINC000420249498 446431926 /nfs/dbraw/zinc/43/19/26/446431926.db2.gz XONAOHVYZCATMU-UHFFFAOYSA-N 2 2 337.493 1.458 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@H]3CC[NH2+]CC3(F)F)[nH+]cn2)C1 ZINC000420287319 446452841 /nfs/dbraw/zinc/45/28/41/446452841.db2.gz RCSZVQYMXKPKPA-YNEHKIRRSA-N 2 2 341.406 1.340 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@H]3CC[NH2+]CC3(F)F)nc[nH+]2)C1 ZINC000420287319 446452843 /nfs/dbraw/zinc/45/28/43/446452843.db2.gz RCSZVQYMXKPKPA-YNEHKIRRSA-N 2 2 341.406 1.340 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000420282678 446450298 /nfs/dbraw/zinc/45/02/98/446450298.db2.gz AZZSHUXDLSGVRT-WWGRRREGSA-N 2 2 333.432 1.147 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000420282678 446450305 /nfs/dbraw/zinc/45/03/05/446450305.db2.gz AZZSHUXDLSGVRT-WWGRRREGSA-N 2 2 333.432 1.147 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423193530 446450365 /nfs/dbraw/zinc/45/03/65/446450365.db2.gz WTCSVMVMHKQTSM-ICSRJNTNSA-N 3 2 330.520 1.924 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423193530 446450371 /nfs/dbraw/zinc/45/03/71/446450371.db2.gz WTCSVMVMHKQTSM-ICSRJNTNSA-N 3 2 330.520 1.924 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000376270405 446408140 /nfs/dbraw/zinc/40/81/40/446408140.db2.gz OOCNZBMFMATIBV-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)c(C)[nH+]1 ZINC000411173484 446418637 /nfs/dbraw/zinc/41/86/37/446418637.db2.gz MWDLZKMGGQEJIK-UHFFFAOYSA-N 2 2 344.459 1.936 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3CC[NH2+]CC3(F)F)[nH+]cn2)C1 ZINC000420287317 446452190 /nfs/dbraw/zinc/45/21/90/446452190.db2.gz RCSZVQYMXKPKPA-XQQFMLRXSA-N 2 2 341.406 1.340 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3CC[NH2+]CC3(F)F)nc[nH+]2)C1 ZINC000420287317 446452197 /nfs/dbraw/zinc/45/21/97/446452197.db2.gz RCSZVQYMXKPKPA-XQQFMLRXSA-N 2 2 341.406 1.340 20 0 EDADLP C[C@H]1CN(Cc2ncnn2C(C)(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374914801 446455942 /nfs/dbraw/zinc/45/59/42/446455942.db2.gz NTXOCTQZSICCHS-HNNXBMFYSA-N 2 2 334.512 1.633 20 0 EDADLP C[C@H]1CN(Cc2ncnn2C(C)(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374914801 446455952 /nfs/dbraw/zinc/45/59/52/446455952.db2.gz NTXOCTQZSICCHS-HNNXBMFYSA-N 2 2 334.512 1.633 20 0 EDADLP CCCCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837128 446472173 /nfs/dbraw/zinc/47/21/73/446472173.db2.gz CIZZWRZSODVASG-DOTOQJQBSA-N 2 2 325.497 1.819 20 0 EDADLP CCCCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837128 446472176 /nfs/dbraw/zinc/47/21/76/446472176.db2.gz CIZZWRZSODVASG-DOTOQJQBSA-N 2 2 325.497 1.819 20 0 EDADLP COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420312256 446475588 /nfs/dbraw/zinc/47/55/88/446475588.db2.gz SBHPYKOWELLPFT-OAHLLOKOSA-N 2 2 337.851 1.745 20 0 EDADLP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420312256 446475595 /nfs/dbraw/zinc/47/55/95/446475595.db2.gz SBHPYKOWELLPFT-OAHLLOKOSA-N 2 2 337.851 1.745 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000420311862 446475915 /nfs/dbraw/zinc/47/59/15/446475915.db2.gz IBUACZPCYTYWEU-HOTGVXAUSA-N 2 2 345.443 1.124 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000420311862 446475922 /nfs/dbraw/zinc/47/59/22/446475922.db2.gz IBUACZPCYTYWEU-HOTGVXAUSA-N 2 2 345.443 1.124 20 0 EDADLP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000420313981 446477696 /nfs/dbraw/zinc/47/76/96/446477696.db2.gz UWHJGONCWSZZGH-HUUCEWRRSA-N 2 2 335.448 1.852 20 0 EDADLP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000420313981 446477697 /nfs/dbraw/zinc/47/76/97/446477697.db2.gz UWHJGONCWSZZGH-HUUCEWRRSA-N 2 2 335.448 1.852 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[NH+]1CCOCC1 ZINC000423316716 446486923 /nfs/dbraw/zinc/48/69/23/446486923.db2.gz JZTBIHKCGNESDV-OCCSQVGLSA-N 2 2 326.466 1.006 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](O)CCc3ccccc3)C2)CC1 ZINC000367053844 446490909 /nfs/dbraw/zinc/49/09/09/446490909.db2.gz TZIHFMBIBVQDGJ-IEBWSBKVSA-N 2 2 345.487 1.265 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](O)CCc3ccccc3)C2)CC1 ZINC000367053844 446490915 /nfs/dbraw/zinc/49/09/15/446490915.db2.gz TZIHFMBIBVQDGJ-IEBWSBKVSA-N 2 2 345.487 1.265 20 0 EDADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3COCC[N@@H+]3CC3CCC3)cc2C1 ZINC000423510024 446558564 /nfs/dbraw/zinc/55/85/64/446558564.db2.gz PFARZXMEWUNXFC-CRAIPNDOSA-N 2 2 344.459 1.337 20 0 EDADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3COCC[N@H+]3CC3CCC3)cc2C1 ZINC000423510024 446558568 /nfs/dbraw/zinc/55/85/68/446558568.db2.gz PFARZXMEWUNXFC-CRAIPNDOSA-N 2 2 344.459 1.337 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420390419 446564627 /nfs/dbraw/zinc/56/46/27/446564627.db2.gz NFNQKKWIAYVSRF-ZENOOKHLSA-N 2 2 339.867 1.955 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420390419 446564632 /nfs/dbraw/zinc/56/46/32/446564632.db2.gz NFNQKKWIAYVSRF-ZENOOKHLSA-N 2 2 339.867 1.955 20 0 EDADLP COC[C@]1(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC[NH2+]C1 ZINC000423422783 446529957 /nfs/dbraw/zinc/52/99/57/446529957.db2.gz YXNKHOFCDAXOFG-YOEHRIQHSA-N 2 2 341.402 1.310 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1c(F)cccc1F ZINC000423425444 446531529 /nfs/dbraw/zinc/53/15/29/446531529.db2.gz GSSJQADRPNDYDK-MLGOLLRUSA-N 2 2 339.386 1.145 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423436001 446536492 /nfs/dbraw/zinc/53/64/92/446536492.db2.gz FEGSVPQADDFGBL-MSOLQXFVSA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423436001 446536495 /nfs/dbraw/zinc/53/64/95/446536495.db2.gz FEGSVPQADDFGBL-MSOLQXFVSA-N 2 2 335.492 1.478 20 0 EDADLP COCc1ncsc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375043309 446537175 /nfs/dbraw/zinc/53/71/75/446537175.db2.gz OLJAHJFTFONJGZ-LBPRGKRZSA-N 2 2 338.477 1.188 20 0 EDADLP COCc1ncsc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375043309 446537186 /nfs/dbraw/zinc/53/71/86/446537186.db2.gz OLJAHJFTFONJGZ-LBPRGKRZSA-N 2 2 338.477 1.188 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCC1(c2ccccc2)CC1 ZINC000420358959 446539685 /nfs/dbraw/zinc/53/96/85/446539685.db2.gz FKBWJRIBSWVEAW-IBGZPJMESA-N 2 2 327.472 1.910 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCC1(c2ccccc2)CC1 ZINC000420358959 446539690 /nfs/dbraw/zinc/53/96/90/446539690.db2.gz FKBWJRIBSWVEAW-IBGZPJMESA-N 2 2 327.472 1.910 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cscn1 ZINC000423439896 446539744 /nfs/dbraw/zinc/53/97/44/446539744.db2.gz VNXWWMMUUKEWNK-ZBFHGGJFSA-N 2 2 330.457 1.924 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cscn1 ZINC000423439896 446539750 /nfs/dbraw/zinc/53/97/50/446539750.db2.gz VNXWWMMUUKEWNK-ZBFHGGJFSA-N 2 2 330.457 1.924 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420363298 446542526 /nfs/dbraw/zinc/54/25/26/446542526.db2.gz JIUDRAQVBSWHII-ZOPJHEKZSA-N 2 2 332.448 1.948 20 0 EDADLP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000453099612 446542870 /nfs/dbraw/zinc/54/28/70/446542870.db2.gz UMNXHWOVEHXPIT-DLBZAZTESA-N 2 2 335.496 1.440 20 0 EDADLP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000453099612 446542879 /nfs/dbraw/zinc/54/28/79/446542879.db2.gz UMNXHWOVEHXPIT-DLBZAZTESA-N 2 2 335.496 1.440 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H]1C[NH3+] ZINC000420413974 446587579 /nfs/dbraw/zinc/58/75/79/446587579.db2.gz UEEKNHKPWSFFQP-GJZGRUSLSA-N 2 2 344.459 1.669 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H]1C[NH3+] ZINC000420413974 446587583 /nfs/dbraw/zinc/58/75/83/446587583.db2.gz UEEKNHKPWSFFQP-GJZGRUSLSA-N 2 2 344.459 1.669 20 0 EDADLP Cc1[nH+]c2n(c1CN1CC[NH+](CCC(=O)OC(C)C)CC1)CCCC2 ZINC000367886579 446603338 /nfs/dbraw/zinc/60/33/38/446603338.db2.gz QAUVAMGPRBRDNW-UHFFFAOYSA-N 2 2 348.491 1.987 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423617675 446609540 /nfs/dbraw/zinc/60/95/40/446609540.db2.gz GVTFRHPUWOLLJI-OAHLLOKOSA-N 2 2 349.479 1.024 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000371115716 446636202 /nfs/dbraw/zinc/63/62/02/446636202.db2.gz BGLHKERYLUUPBS-DZGCQCFKSA-N 2 2 326.510 1.302 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000371115716 446636207 /nfs/dbraw/zinc/63/62/07/446636207.db2.gz BGLHKERYLUUPBS-DZGCQCFKSA-N 2 2 326.510 1.302 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCCNC2=O)C1 ZINC000411687358 446646899 /nfs/dbraw/zinc/64/68/99/446646899.db2.gz MLAHUFGMWKQAFD-GJZGRUSLSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCCNC2=O)C1 ZINC000411687358 446646904 /nfs/dbraw/zinc/64/69/04/446646904.db2.gz MLAHUFGMWKQAFD-GJZGRUSLSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000411687358 446646909 /nfs/dbraw/zinc/64/69/09/446646909.db2.gz MLAHUFGMWKQAFD-GJZGRUSLSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCCNC2=O)C1 ZINC000411687358 446646914 /nfs/dbraw/zinc/64/69/14/446646914.db2.gz MLAHUFGMWKQAFD-GJZGRUSLSA-N 2 2 336.505 1.874 20 0 EDADLP C[C@@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@H](C)[NH3+] ZINC000418691228 446650569 /nfs/dbraw/zinc/65/05/69/446650569.db2.gz DIZRYCMUEOGVKR-RNJOBUHISA-N 2 2 328.457 1.695 20 0 EDADLP C[C@@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@H](C)[NH3+] ZINC000418691228 446650576 /nfs/dbraw/zinc/65/05/76/446650576.db2.gz DIZRYCMUEOGVKR-RNJOBUHISA-N 2 2 328.457 1.695 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179703 446676784 /nfs/dbraw/zinc/67/67/84/446676784.db2.gz YJBQJPXKENJKHX-HZPDHXFCSA-N 2 2 338.496 1.807 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179703 446676788 /nfs/dbraw/zinc/67/67/88/446676788.db2.gz YJBQJPXKENJKHX-HZPDHXFCSA-N 2 2 338.496 1.807 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000418739485 446661847 /nfs/dbraw/zinc/66/18/47/446661847.db2.gz YPNXOIOHNMHADO-ZIAGYGMSSA-N 2 2 330.423 1.501 20 0 EDADLP C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368142640 446666662 /nfs/dbraw/zinc/66/66/62/446666662.db2.gz MDMKRLHBHPWLNB-UOVPBQLFSA-N 2 2 336.501 1.920 20 0 EDADLP C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368142640 446666672 /nfs/dbraw/zinc/66/66/72/446666672.db2.gz MDMKRLHBHPWLNB-UOVPBQLFSA-N 2 2 336.501 1.920 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000368145056 446667736 /nfs/dbraw/zinc/66/77/36/446667736.db2.gz XQQCUIMIEPPZJW-QGZVFWFLSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000368145056 446667741 /nfs/dbraw/zinc/66/77/41/446667741.db2.gz XQQCUIMIEPPZJW-QGZVFWFLSA-N 2 2 338.496 1.269 20 0 EDADLP CN(C(=O)c1conc1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368150324 446670669 /nfs/dbraw/zinc/67/06/69/446670669.db2.gz FJUXEZQXDWFVLY-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP CN(C(=O)c1conc1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368150324 446670674 /nfs/dbraw/zinc/67/06/74/446670674.db2.gz FJUXEZQXDWFVLY-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418637727 446629090 /nfs/dbraw/zinc/62/90/90/446629090.db2.gz NXLUHJIXRMHWKE-ZFWWWQNUSA-N 2 2 338.402 1.417 20 0 EDADLP CCN1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000418772361 446690542 /nfs/dbraw/zinc/69/05/42/446690542.db2.gz PTHQSXGBXVMLJM-GJZGRUSLSA-N 2 2 334.468 1.330 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000418780732 446699374 /nfs/dbraw/zinc/69/93/74/446699374.db2.gz YSNUFYPVMPKTHY-IRXDYDNUSA-N 2 2 338.496 1.271 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000418780732 446699379 /nfs/dbraw/zinc/69/93/79/446699379.db2.gz YSNUFYPVMPKTHY-IRXDYDNUSA-N 2 2 338.496 1.271 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc2)CC1 ZINC000423831092 446719943 /nfs/dbraw/zinc/71/99/43/446719943.db2.gz BNRWGNJDOLTMOS-SFHVURJKSA-N 2 2 346.475 1.520 20 0 EDADLP COC1(CO)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000375336406 446731651 /nfs/dbraw/zinc/73/16/51/446731651.db2.gz ICGMLVMMYLDZPE-IBGZPJMESA-N 2 2 348.487 1.751 20 0 EDADLP COC1(CO)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000375336406 446731655 /nfs/dbraw/zinc/73/16/55/446731655.db2.gz ICGMLVMMYLDZPE-IBGZPJMESA-N 2 2 348.487 1.751 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423751179 446681246 /nfs/dbraw/zinc/68/12/46/446681246.db2.gz YJSODKOHRGXYNZ-JKSUJKDBSA-N 2 2 333.480 1.362 20 0 EDADLP CCc1nnc2n1C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)CC2 ZINC000368272265 446751499 /nfs/dbraw/zinc/75/14/99/446751499.db2.gz GIWBLEQUDISNLW-HNNXBMFYSA-N 2 2 349.479 1.163 20 0 EDADLP CN(Cc1nnc(-c2ccco2)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371305255 446760206 /nfs/dbraw/zinc/76/02/06/446760206.db2.gz MBSZLEHCFVTEGF-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP CN(Cc1nnc(-c2ccco2)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371305255 446760216 /nfs/dbraw/zinc/76/02/16/446760216.db2.gz MBSZLEHCFVTEGF-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP C[N@H+](Cc1nnc(-c2ccco2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371305255 446760224 /nfs/dbraw/zinc/76/02/24/446760224.db2.gz MBSZLEHCFVTEGF-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP C[N@@H+](Cc1nnc(-c2ccco2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371305255 446760231 /nfs/dbraw/zinc/76/02/31/446760231.db2.gz MBSZLEHCFVTEGF-HNNXBMFYSA-N 2 2 345.447 1.930 20 0 EDADLP C[C@H]1C[N@H+](Cc2nc(-c3ccco3)no2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371305398 446760957 /nfs/dbraw/zinc/76/09/57/446760957.db2.gz YNEPZFRQWXPULP-GJZGRUSLSA-N 2 2 345.447 1.787 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nc(-c3ccco3)no2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371305398 446760961 /nfs/dbraw/zinc/76/09/61/446760961.db2.gz YNEPZFRQWXPULP-GJZGRUSLSA-N 2 2 345.447 1.787 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)on1 ZINC000423920034 446768979 /nfs/dbraw/zinc/76/89/79/446768979.db2.gz FYMAESAYZPUBER-BARDWOONSA-N 2 2 338.427 1.481 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)on1 ZINC000423920034 446768983 /nfs/dbraw/zinc/76/89/83/446768983.db2.gz FYMAESAYZPUBER-BARDWOONSA-N 2 2 338.427 1.481 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423925805 446777097 /nfs/dbraw/zinc/77/70/97/446777097.db2.gz BVZRWJAHWMAVNJ-SZMVWBNQSA-N 2 2 333.476 1.905 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423925805 446777101 /nfs/dbraw/zinc/77/71/01/446777101.db2.gz BVZRWJAHWMAVNJ-SZMVWBNQSA-N 2 2 333.476 1.905 20 0 EDADLP c1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000376893931 446782822 /nfs/dbraw/zinc/78/28/22/446782822.db2.gz RBGOTECGIUDENK-HRCADAONSA-N 2 2 329.448 1.234 20 0 EDADLP c1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000376893931 446782828 /nfs/dbraw/zinc/78/28/28/446782828.db2.gz RBGOTECGIUDENK-HRCADAONSA-N 2 2 329.448 1.234 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000424007699 446819889 /nfs/dbraw/zinc/81/98/89/446819889.db2.gz XQFSOCLKVRSOIB-HUUCEWRRSA-N 2 2 333.480 1.534 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000424007699 446819897 /nfs/dbraw/zinc/81/98/97/446819897.db2.gz XQFSOCLKVRSOIB-HUUCEWRRSA-N 2 2 333.480 1.534 20 0 EDADLP CCCCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368381988 446826368 /nfs/dbraw/zinc/82/63/68/446826368.db2.gz BNUQURYEOCZPMM-QGZVFWFLSA-N 2 2 340.512 1.613 20 0 EDADLP CCCCOCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368381988 446826374 /nfs/dbraw/zinc/82/63/74/446826374.db2.gz BNUQURYEOCZPMM-QGZVFWFLSA-N 2 2 340.512 1.613 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc(C)[nH+]1 ZINC000420815421 446839914 /nfs/dbraw/zinc/83/99/14/446839914.db2.gz XPMLESISUVJFDO-AWEZNQCLSA-N 2 2 333.480 1.381 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000371423638 446845025 /nfs/dbraw/zinc/84/50/25/446845025.db2.gz DHUDJOGUALVOAU-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000371423638 446845029 /nfs/dbraw/zinc/84/50/29/446845029.db2.gz DHUDJOGUALVOAU-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623178609 450436203 /nfs/dbraw/zinc/43/62/03/450436203.db2.gz YAPNGKPVUFLRRM-HOCLYGCPSA-N 2 2 340.427 1.627 20 0 EDADLP CCCCNc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)nc(N)[nH+]1 ZINC000439153064 446808700 /nfs/dbraw/zinc/80/87/00/446808700.db2.gz CWZMNLAGYLAMBW-KBPBESRZSA-N 2 2 336.484 1.552 20 0 EDADLP CCCCNc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)nc(N)[nH+]1 ZINC000439153064 446808707 /nfs/dbraw/zinc/80/87/07/446808707.db2.gz CWZMNLAGYLAMBW-KBPBESRZSA-N 2 2 336.484 1.552 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000419003737 446860376 /nfs/dbraw/zinc/86/03/76/446860376.db2.gz NXOFFVPMRITXOF-NVXWUHKLSA-N 2 2 346.475 1.215 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000419003737 446860382 /nfs/dbraw/zinc/86/03/82/446860382.db2.gz NXOFFVPMRITXOF-NVXWUHKLSA-N 2 2 346.475 1.215 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000419008690 446863997 /nfs/dbraw/zinc/86/39/97/446863997.db2.gz ULKICWSVRISCOH-NVXWUHKLSA-N 2 2 346.475 1.133 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000419008690 446864003 /nfs/dbraw/zinc/86/40/03/446864003.db2.gz ULKICWSVRISCOH-NVXWUHKLSA-N 2 2 346.475 1.133 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000419011220 446866897 /nfs/dbraw/zinc/86/68/97/446866897.db2.gz ZNYHPNNOFVGUQV-CVEARBPZSA-N 2 2 346.475 1.276 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000419011220 446866906 /nfs/dbraw/zinc/86/69/06/446866906.db2.gz ZNYHPNNOFVGUQV-CVEARBPZSA-N 2 2 346.475 1.276 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000424453296 446875463 /nfs/dbraw/zinc/87/54/63/446875463.db2.gz KHERLCYKSFHRGY-KZNAEPCWSA-N 2 2 346.475 1.629 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(CO)cc1 ZINC000371495325 446891315 /nfs/dbraw/zinc/89/13/15/446891315.db2.gz CKKAVXWRMAXTOE-APWZRJJASA-N 2 2 333.476 1.016 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(CO)cc1 ZINC000371495325 446891321 /nfs/dbraw/zinc/89/13/21/446891321.db2.gz CKKAVXWRMAXTOE-APWZRJJASA-N 2 2 333.476 1.016 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC000371495325 446891324 /nfs/dbraw/zinc/89/13/24/446891324.db2.gz CKKAVXWRMAXTOE-APWZRJJASA-N 2 2 333.476 1.016 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(CO)cc1 ZINC000371495325 446891330 /nfs/dbraw/zinc/89/13/30/446891330.db2.gz CKKAVXWRMAXTOE-APWZRJJASA-N 2 2 333.476 1.016 20 0 EDADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420923688 446891687 /nfs/dbraw/zinc/89/16/87/446891687.db2.gz RAGNRXQXFPOODP-IBGZPJMESA-N 2 2 345.487 1.962 20 0 EDADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420923688 446891689 /nfs/dbraw/zinc/89/16/89/446891689.db2.gz RAGNRXQXFPOODP-IBGZPJMESA-N 2 2 345.487 1.962 20 0 EDADLP NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420922955 446891792 /nfs/dbraw/zinc/89/17/92/446891792.db2.gz OZDQAKPQSSSCIX-ZWKOTPCHSA-N 2 2 331.460 1.653 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCCCCC[NH+]2CCCC2)CCO1 ZINC000454633148 446925674 /nfs/dbraw/zinc/92/56/74/446925674.db2.gz QRLOZCYTPAOYBU-UHFFFAOYSA-N 2 2 340.512 1.663 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCCCCC[NH+]2CCCC2)CCO1 ZINC000454633148 446925682 /nfs/dbraw/zinc/92/56/82/446925682.db2.gz QRLOZCYTPAOYBU-UHFFFAOYSA-N 2 2 340.512 1.663 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCOCC1 ZINC000375602582 446918176 /nfs/dbraw/zinc/91/81/76/446918176.db2.gz IBPNNRVPFDDLGE-IRXDYDNUSA-N 2 2 346.475 1.829 20 0 EDADLP C[C@H]([NH3+])C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000442662148 446928927 /nfs/dbraw/zinc/92/89/27/446928927.db2.gz GZRWNKQSRUHGEX-RYUDHWBXSA-N 2 2 331.416 1.648 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000371579920 446935174 /nfs/dbraw/zinc/93/51/74/446935174.db2.gz MCTZBWVMQAADPY-WBVHZDCISA-N 3 2 349.523 1.105 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000371579920 446935178 /nfs/dbraw/zinc/93/51/78/446935178.db2.gz MCTZBWVMQAADPY-WBVHZDCISA-N 3 2 349.523 1.105 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000371579920 446935185 /nfs/dbraw/zinc/93/51/85/446935185.db2.gz MCTZBWVMQAADPY-WBVHZDCISA-N 3 2 349.523 1.105 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000371579920 446935188 /nfs/dbraw/zinc/93/51/88/446935188.db2.gz MCTZBWVMQAADPY-WBVHZDCISA-N 3 2 349.523 1.105 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758474 446954001 /nfs/dbraw/zinc/95/40/01/446954001.db2.gz IRULDIYDFBIPHF-JWTNVVGKSA-N 2 2 331.460 1.664 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758474 446954005 /nfs/dbraw/zinc/95/40/05/446954005.db2.gz IRULDIYDFBIPHF-JWTNVVGKSA-N 2 2 331.460 1.664 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442765658 446957395 /nfs/dbraw/zinc/95/73/95/446957395.db2.gz VVAKEYQWLZBWEP-XYPWUTKMSA-N 2 2 349.450 1.878 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442765658 446957397 /nfs/dbraw/zinc/95/73/97/446957397.db2.gz VVAKEYQWLZBWEP-XYPWUTKMSA-N 2 2 349.450 1.878 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCCOc3ccccc3)CCO2)CC1 ZINC000368653295 447007916 /nfs/dbraw/zinc/00/79/16/447007916.db2.gz PZPBLDLTMBCKJK-IBGZPJMESA-N 2 2 333.476 1.404 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCOCC3CCC3)CC2)C1 ZINC000419204762 447009400 /nfs/dbraw/zinc/00/94/00/447009400.db2.gz JDSMHSPBIQDZTA-LJQANCHMSA-N 2 2 339.524 1.530 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCOCC3CCC3)CC2)C1 ZINC000419204762 447009406 /nfs/dbraw/zinc/00/94/06/447009406.db2.gz JDSMHSPBIQDZTA-LJQANCHMSA-N 2 2 339.524 1.530 20 0 EDADLP C[N@H+](Cc1ccnc(N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375736819 447011137 /nfs/dbraw/zinc/01/11/37/447011137.db2.gz SHQPXZLAVWAFKA-LJQANCHMSA-N 2 2 326.444 1.733 20 0 EDADLP C[N@@H+](Cc1ccnc(N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000375736819 447011141 /nfs/dbraw/zinc/01/11/41/447011141.db2.gz SHQPXZLAVWAFKA-LJQANCHMSA-N 2 2 326.444 1.733 20 0 EDADLP C[NH+](Cc1ccnc(N)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000375736819 447011142 /nfs/dbraw/zinc/01/11/42/447011142.db2.gz SHQPXZLAVWAFKA-LJQANCHMSA-N 2 2 326.444 1.733 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000377298622 447048830 /nfs/dbraw/zinc/04/88/30/447048830.db2.gz OCIZSXNMUKBLLF-QGZVFWFLSA-N 2 2 348.491 1.340 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000377298622 447048837 /nfs/dbraw/zinc/04/88/37/447048837.db2.gz OCIZSXNMUKBLLF-QGZVFWFLSA-N 2 2 348.491 1.340 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000377298621 447048959 /nfs/dbraw/zinc/04/89/59/447048959.db2.gz OCIZSXNMUKBLLF-KRWDZBQOSA-N 2 2 348.491 1.340 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000377298621 447048967 /nfs/dbraw/zinc/04/89/67/447048967.db2.gz OCIZSXNMUKBLLF-KRWDZBQOSA-N 2 2 348.491 1.340 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372429662 447057864 /nfs/dbraw/zinc/05/78/64/447057864.db2.gz BOBPYXPGNRVJKM-LMMKCTJWSA-N 2 2 329.444 1.176 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)NC(C)(C)C)CCC[NH+]2C)cn1 ZINC000372527071 447111189 /nfs/dbraw/zinc/11/11/89/447111189.db2.gz NETKLBQBFIAABE-WMLDXEAASA-N 2 2 335.496 1.650 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NC(C)(C)C)CCC[NH+]2C)cn1 ZINC000372527071 447111197 /nfs/dbraw/zinc/11/11/97/447111197.db2.gz NETKLBQBFIAABE-WMLDXEAASA-N 2 2 335.496 1.650 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NC(C)(C)C)CCC[N@@H+]2C)cn1 ZINC000372527071 447111204 /nfs/dbraw/zinc/11/12/04/447111204.db2.gz NETKLBQBFIAABE-WMLDXEAASA-N 2 2 335.496 1.650 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NC(C)(C)C)CCC[N@H+]2C)cn1 ZINC000372527071 447111208 /nfs/dbraw/zinc/11/12/08/447111208.db2.gz NETKLBQBFIAABE-WMLDXEAASA-N 2 2 335.496 1.650 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2Cc2c[nH+]c(N(C)C)n2C)C[C@@H](C)O1 ZINC000425328842 447117744 /nfs/dbraw/zinc/11/77/44/447117744.db2.gz SITPWQYXBQILLS-OAGGEKHMSA-N 2 2 335.496 1.560 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000375814393 447074031 /nfs/dbraw/zinc/07/40/31/447074031.db2.gz NAWDDMNVLJHLSA-CQSZACIVSA-N 2 2 347.463 1.974 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000375814393 447074035 /nfs/dbraw/zinc/07/40/35/447074035.db2.gz NAWDDMNVLJHLSA-CQSZACIVSA-N 2 2 347.463 1.974 20 0 EDADLP COC(=O)[C@H](CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1)c1ccccc1 ZINC000425386280 447136791 /nfs/dbraw/zinc/13/67/91/447136791.db2.gz RFPAKDDBXZPSIQ-QGZVFWFLSA-N 2 2 347.459 1.039 20 0 EDADLP CN(OCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368826284 447137172 /nfs/dbraw/zinc/13/71/72/447137172.db2.gz UVDPROSUCNLTIL-KRWDZBQOSA-N 2 2 346.475 1.928 20 0 EDADLP CN(OCc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368826284 447137182 /nfs/dbraw/zinc/13/71/82/447137182.db2.gz UVDPROSUCNLTIL-KRWDZBQOSA-N 2 2 346.475 1.928 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000368825480 447137636 /nfs/dbraw/zinc/13/76/36/447137636.db2.gz VZJDTPDBGCKCMJ-UHFFFAOYSA-N 2 2 344.463 1.997 20 0 EDADLP C[NH+]1CCN(C[C@H]2CN(c3cc[nH+]c4ccsc43)CCO2)CC1 ZINC000375983132 447190977 /nfs/dbraw/zinc/19/09/77/447190977.db2.gz BPZITNKNBDOCDM-AWEZNQCLSA-N 2 2 332.473 1.749 20 0 EDADLP CN1CC[NH+](C[C@H]2CN(c3cc[nH+]c4ccsc43)CCO2)CC1 ZINC000375983132 447190987 /nfs/dbraw/zinc/19/09/87/447190987.db2.gz BPZITNKNBDOCDM-AWEZNQCLSA-N 2 2 332.473 1.749 20 0 EDADLP COCC(COC)[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000413473298 447192469 /nfs/dbraw/zinc/19/24/69/447192469.db2.gz IEBFLVRJCWBWCS-UHFFFAOYSA-N 2 2 344.253 1.628 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000375954725 447171900 /nfs/dbraw/zinc/17/19/00/447171900.db2.gz OENIVWWSKWBYLV-CVEARBPZSA-N 2 2 336.480 1.119 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000375954725 447171902 /nfs/dbraw/zinc/17/19/02/447171902.db2.gz OENIVWWSKWBYLV-CVEARBPZSA-N 2 2 336.480 1.119 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000368876076 447172413 /nfs/dbraw/zinc/17/24/13/447172413.db2.gz JEDCGZSPGWLZJH-MRXNPFEDSA-N 2 2 342.447 1.798 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000368876076 447172421 /nfs/dbraw/zinc/17/24/21/447172421.db2.gz JEDCGZSPGWLZJH-MRXNPFEDSA-N 2 2 342.447 1.798 20 0 EDADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000368988632 447250380 /nfs/dbraw/zinc/25/03/80/447250380.db2.gz AVUYNSILGBDXQY-OAHLLOKOSA-N 2 2 339.480 1.345 20 0 EDADLP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000368988632 447250386 /nfs/dbraw/zinc/25/03/86/447250386.db2.gz AVUYNSILGBDXQY-OAHLLOKOSA-N 2 2 339.480 1.345 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)CCC2 ZINC000372730663 447253518 /nfs/dbraw/zinc/25/35/18/447253518.db2.gz QCKNRCOCFZGJGN-HNNXBMFYSA-N 2 2 349.479 1.479 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CC2(CO)CC2)CC1 ZINC000446061808 447225244 /nfs/dbraw/zinc/22/52/44/447225244.db2.gz OGUSAMZUFGPHSD-QGZVFWFLSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC2(CO)CC2)CC1 ZINC000446061808 447225252 /nfs/dbraw/zinc/22/52/52/447225252.db2.gz OGUSAMZUFGPHSD-QGZVFWFLSA-N 2 2 345.487 1.596 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000372696696 447230412 /nfs/dbraw/zinc/23/04/12/447230412.db2.gz XONSDPRXETXHHF-JKSUJKDBSA-N 2 2 349.479 1.340 20 0 EDADLP COC1([C@@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)CCCCC1 ZINC000421838080 447263125 /nfs/dbraw/zinc/26/31/25/447263125.db2.gz UTCZVVVZZBRGPJ-GOSISDBHSA-N 2 2 341.540 1.704 20 0 EDADLP C[C@H]1CN(C(=O)COCC2CCCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000456005514 447283176 /nfs/dbraw/zinc/28/31/76/447283176.db2.gz BAOCYYUTEUCLEZ-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1CN(C(=O)COCC2CCCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000456005514 447283186 /nfs/dbraw/zinc/28/31/86/447283186.db2.gz BAOCYYUTEUCLEZ-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP NC(=O)N1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390541870 447494337 /nfs/dbraw/zinc/49/43/37/447494337.db2.gz HMMFNPVNKXAJQL-SFHVURJKSA-N 2 2 346.475 1.410 20 0 EDADLP NC(=O)N1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390541870 447494342 /nfs/dbraw/zinc/49/43/42/447494342.db2.gz HMMFNPVNKXAJQL-SFHVURJKSA-N 2 2 346.475 1.410 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)n2)nn1 ZINC000450503490 447509577 /nfs/dbraw/zinc/50/95/77/447509577.db2.gz RUDAKBIIJJPBDW-JSGCOSHPSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)n2)nn1 ZINC000450503490 447509580 /nfs/dbraw/zinc/50/95/80/447509580.db2.gz RUDAKBIIJJPBDW-JSGCOSHPSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)n2)nn1 ZINC000450503490 447509584 /nfs/dbraw/zinc/50/95/84/447509584.db2.gz RUDAKBIIJJPBDW-JSGCOSHPSA-N 2 2 344.419 1.451 20 0 EDADLP COc1ccc(-c2noc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)n2)nn1 ZINC000450503490 447509590 /nfs/dbraw/zinc/50/95/90/447509590.db2.gz RUDAKBIIJJPBDW-JSGCOSHPSA-N 2 2 344.419 1.451 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000391799509 447517573 /nfs/dbraw/zinc/51/75/73/447517573.db2.gz FJTHXNINIFCIGD-QGZVFWFLSA-N 2 2 341.883 1.401 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000391799509 447517575 /nfs/dbraw/zinc/51/75/75/447517575.db2.gz FJTHXNINIFCIGD-QGZVFWFLSA-N 2 2 341.883 1.401 20 0 EDADLP NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000391837466 447519038 /nfs/dbraw/zinc/51/90/38/447519038.db2.gz KFAMDJKXCXATNG-UKRRQHHQSA-N 2 2 332.404 1.658 20 0 EDADLP NC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC000391837466 447519043 /nfs/dbraw/zinc/51/90/43/447519043.db2.gz KFAMDJKXCXATNG-UKRRQHHQSA-N 2 2 332.404 1.658 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3cscn3)CC2)C1 ZINC000450364675 447469308 /nfs/dbraw/zinc/46/93/08/447469308.db2.gz LWKKBEDILLCZKC-KRWDZBQOSA-N 2 2 338.521 1.412 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3cscn3)CC2)C1 ZINC000450364675 447469315 /nfs/dbraw/zinc/46/93/15/447469315.db2.gz LWKKBEDILLCZKC-KRWDZBQOSA-N 2 2 338.521 1.412 20 0 EDADLP COCCOc1cc2c(cc1C[N@@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)OCO2 ZINC000427112063 447546766 /nfs/dbraw/zinc/54/67/66/447546766.db2.gz YOOITTNIIPVIJO-DZGCQCFKSA-N 2 2 334.416 1.624 20 0 EDADLP COCCOc1cc2c(cc1C[N@H+]1CC[C@H]3[NH2+]CC[C@H]3C1)OCO2 ZINC000427112063 447546770 /nfs/dbraw/zinc/54/67/70/447546770.db2.gz YOOITTNIIPVIJO-DZGCQCFKSA-N 2 2 334.416 1.624 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427123406 447548562 /nfs/dbraw/zinc/54/85/62/447548562.db2.gz JDUDKXGITALTEJ-RDJZCZTQSA-N 2 2 334.464 1.635 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427123406 447548569 /nfs/dbraw/zinc/54/85/69/447548569.db2.gz JDUDKXGITALTEJ-RDJZCZTQSA-N 2 2 334.464 1.635 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H]3CN(C)C(=O)O3)CCC[NH+]2C)cn1 ZINC000495733165 447565173 /nfs/dbraw/zinc/56/51/73/447565173.db2.gz ZGWSOXGLKDJDBX-NUEKZKHPSA-N 2 2 335.452 1.185 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H]3CN(C)C(=O)O3)CCC[NH+]2C)cn1 ZINC000495733165 447565176 /nfs/dbraw/zinc/56/51/76/447565176.db2.gz ZGWSOXGLKDJDBX-NUEKZKHPSA-N 2 2 335.452 1.185 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H]3CN(C)C(=O)O3)CCC[N@@H+]2C)cn1 ZINC000495733165 447565181 /nfs/dbraw/zinc/56/51/81/447565181.db2.gz ZGWSOXGLKDJDBX-NUEKZKHPSA-N 2 2 335.452 1.185 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H]3CN(C)C(=O)O3)CCC[N@H+]2C)cn1 ZINC000495733165 447565184 /nfs/dbraw/zinc/56/51/84/447565184.db2.gz ZGWSOXGLKDJDBX-NUEKZKHPSA-N 2 2 335.452 1.185 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H]1CC[NH3+] ZINC000404256219 447598671 /nfs/dbraw/zinc/59/86/71/447598671.db2.gz ATYXSGLPSYTNFV-YOEHRIQHSA-N 2 2 339.505 1.886 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H]1CC[NH3+] ZINC000404256219 447598674 /nfs/dbraw/zinc/59/86/74/447598674.db2.gz ATYXSGLPSYTNFV-YOEHRIQHSA-N 2 2 339.505 1.886 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000457746990 447624145 /nfs/dbraw/zinc/62/41/45/447624145.db2.gz XRIVQUMGRWXTPQ-INIZCTEOSA-N 2 2 333.480 2.318 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000457746990 447624154 /nfs/dbraw/zinc/62/41/54/447624154.db2.gz XRIVQUMGRWXTPQ-INIZCTEOSA-N 2 2 333.480 2.318 20 0 EDADLP COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428402281 447697325 /nfs/dbraw/zinc/69/73/25/447697325.db2.gz HRIGCJQOHVYWGG-UKRRQHHQSA-N 2 2 329.400 1.928 20 0 EDADLP COCC1(CNC(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]CC1 ZINC000416870521 447699956 /nfs/dbraw/zinc/69/99/56/447699956.db2.gz MKOGYSLNFWUXCI-UHFFFAOYSA-N 2 2 331.420 1.150 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416879801 447700243 /nfs/dbraw/zinc/70/02/43/447700243.db2.gz DIDCMZGYRXHQHJ-WMZOPIPTSA-N 2 2 348.491 1.523 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@H](C)[C@H](C)[NH3+])cc1 ZINC000416885040 447701227 /nfs/dbraw/zinc/70/12/27/447701227.db2.gz LQBHVEXTHMYVGX-UXLLHSPISA-N 2 2 334.464 1.403 20 0 EDADLP O=C(OCc1ccccc1)N1CC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000496086508 447706650 /nfs/dbraw/zinc/70/66/50/447706650.db2.gz MPDNTCUSQKYYKX-QZTJIDSGSA-N 2 2 345.443 1.364 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NC[C@@H]1CC[NH2+]C1 ZINC000420230099 447679325 /nfs/dbraw/zinc/67/93/25/447679325.db2.gz OXNMPKDCZCPZRL-GFCCVEGCSA-N 2 2 329.400 1.863 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000416938979 447715824 /nfs/dbraw/zinc/71/58/24/447715824.db2.gz MESAHFGDJYBKRQ-HOCLYGCPSA-N 2 2 331.464 1.808 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000416943610 447720226 /nfs/dbraw/zinc/72/02/26/447720226.db2.gz CLHOLGGGBIVDKM-DLBZAZTESA-N 2 2 341.459 1.901 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422747011 447737150 /nfs/dbraw/zinc/73/71/50/447737150.db2.gz XWDWWDWCOGAUFN-PBHICJAKSA-N 2 2 339.505 1.745 20 0 EDADLP c1ccc(CN2CCO[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422757486 447741442 /nfs/dbraw/zinc/74/14/42/447741442.db2.gz DBGXJFGJBWKFHI-VAMGGRTRSA-N 2 2 345.487 1.244 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422822882 447759419 /nfs/dbraw/zinc/75/94/19/447759419.db2.gz BRYOPVSUTZXGEN-WCQYABFASA-N 2 2 333.354 1.879 20 0 EDADLP CCC(CC)[C@H](C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000422821408 447759894 /nfs/dbraw/zinc/75/98/94/447759894.db2.gz WAHIGVGOVXHOHA-JQHSSLGASA-N 2 2 327.513 1.480 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422827986 447761308 /nfs/dbraw/zinc/76/13/08/447761308.db2.gz AKFKVJNHWGRKII-WZGPROSRSA-N 2 2 345.487 1.923 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422827986 447761310 /nfs/dbraw/zinc/76/13/10/447761310.db2.gz AKFKVJNHWGRKII-WZGPROSRSA-N 2 2 345.487 1.923 20 0 EDADLP CCOC[C@@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496542644 447813882 /nfs/dbraw/zinc/81/38/82/447813882.db2.gz MAGJQLSWLLENLD-CRAIPNDOSA-N 2 2 337.464 1.609 20 0 EDADLP CCOC[C@@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496542644 447813884 /nfs/dbraw/zinc/81/38/84/447813884.db2.gz MAGJQLSWLLENLD-CRAIPNDOSA-N 2 2 337.464 1.609 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422884015 447770688 /nfs/dbraw/zinc/77/06/88/447770688.db2.gz RHJXVZGNYXSUEM-QZTJIDSGSA-N 3 2 331.508 1.844 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422927291 447774662 /nfs/dbraw/zinc/77/46/62/447774662.db2.gz FZILFNZBNFJLOR-YOEHRIQHSA-N 2 2 339.505 1.805 20 0 EDADLP COc1cc(OC)cc(OCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422936506 447776198 /nfs/dbraw/zinc/77/61/98/447776198.db2.gz IKOHKXAGCKXWLP-ZWKOTPCHSA-N 2 2 336.432 1.439 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[N@@H+]1CCc2ccccc2C1 ZINC000422969599 447784028 /nfs/dbraw/zinc/78/40/28/447784028.db2.gz USRFNTDCVPGUQN-XRXFAXGQSA-N 3 2 343.515 1.916 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[N@H+]1CCc2ccccc2C1 ZINC000422969599 447784032 /nfs/dbraw/zinc/78/40/32/447784032.db2.gz USRFNTDCVPGUQN-XRXFAXGQSA-N 3 2 343.515 1.916 20 0 EDADLP COc1ccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422973077 447784720 /nfs/dbraw/zinc/78/47/20/447784720.db2.gz BDZCXXYHUNDVKM-PMACEKPBSA-N 3 2 347.503 1.782 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000422979891 447786379 /nfs/dbraw/zinc/78/63/79/447786379.db2.gz NUVFLNNSMFKBSN-MDNKFWRPSA-N 3 2 347.503 1.226 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000422979891 447786382 /nfs/dbraw/zinc/78/63/82/447786382.db2.gz NUVFLNNSMFKBSN-MDNKFWRPSA-N 3 2 347.503 1.226 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000423112315 447808090 /nfs/dbraw/zinc/80/80/90/447808090.db2.gz JQCROTCWDMVDOM-QRQLOZEOSA-N 2 2 341.455 1.946 20 0 EDADLP FC(F)(F)COc1cnccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423114208 447808427 /nfs/dbraw/zinc/80/84/27/447808427.db2.gz YUJKCVWLLRFUDR-GJZGRUSLSA-N 2 2 345.365 1.879 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000496581332 447826168 /nfs/dbraw/zinc/82/61/68/447826168.db2.gz LDLFNFWLTGEGFR-KBMXLJTQSA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000496581332 447826170 /nfs/dbraw/zinc/82/61/70/447826170.db2.gz LDLFNFWLTGEGFR-KBMXLJTQSA-N 2 2 339.480 1.695 20 0 EDADLP CC(C)c1cc(N2CCN(C)[C@H](c3[nH+]ccn3C)C2)nc(N(C)C)[nH+]1 ZINC000530428426 447883756 /nfs/dbraw/zinc/88/37/56/447883756.db2.gz RFEPGONGFPVHAL-HNNXBMFYSA-N 2 2 343.479 1.893 20 0 EDADLP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000575748586 447889889 /nfs/dbraw/zinc/88/98/89/447889889.db2.gz GKUZGQCSXSHKGX-KRWDZBQOSA-N 2 2 345.491 1.851 20 0 EDADLP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000575748586 447889892 /nfs/dbraw/zinc/88/98/92/447889892.db2.gz GKUZGQCSXSHKGX-KRWDZBQOSA-N 2 2 345.491 1.851 20 0 EDADLP COc1ccc(COC[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000575982719 447943167 /nfs/dbraw/zinc/94/31/67/447943167.db2.gz KNQUEUMQIVUYTN-GJZGRUSLSA-N 2 2 331.416 1.443 20 0 EDADLP COc1ccc(COC[C@@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000575982719 447943172 /nfs/dbraw/zinc/94/31/72/447943172.db2.gz KNQUEUMQIVUYTN-GJZGRUSLSA-N 2 2 331.416 1.443 20 0 EDADLP Cc1ccc(-c2ncc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)s2)cc1 ZINC000569941479 447924743 /nfs/dbraw/zinc/92/47/43/447924743.db2.gz MYIVNAQLGIHIGQ-ZBFHGGJFSA-N 2 2 342.468 1.862 20 0 EDADLP Cc1ccc(-c2ncc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)s2)cc1 ZINC000569941479 447924748 /nfs/dbraw/zinc/92/47/48/447924748.db2.gz MYIVNAQLGIHIGQ-ZBFHGGJFSA-N 2 2 342.468 1.862 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n[nH]1 ZINC000576165822 447988574 /nfs/dbraw/zinc/98/85/74/447988574.db2.gz VKTWDELRKDSIDT-TZMCWYRMSA-N 2 2 342.447 1.696 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n[nH]1 ZINC000576165822 447988576 /nfs/dbraw/zinc/98/85/76/447988576.db2.gz VKTWDELRKDSIDT-TZMCWYRMSA-N 2 2 342.447 1.696 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000531045120 448006578 /nfs/dbraw/zinc/00/65/78/448006578.db2.gz JERCCBUMMWWRJB-AWEZNQCLSA-N 2 2 341.415 1.269 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000531045120 448006583 /nfs/dbraw/zinc/00/65/83/448006583.db2.gz JERCCBUMMWWRJB-AWEZNQCLSA-N 2 2 341.415 1.269 20 0 EDADLP COC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000576254537 448012415 /nfs/dbraw/zinc/01/24/15/448012415.db2.gz MEWRDEOSPAZOKN-GJZGRUSLSA-N 2 2 340.855 1.312 20 0 EDADLP COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000576254537 448012422 /nfs/dbraw/zinc/01/24/22/448012422.db2.gz MEWRDEOSPAZOKN-GJZGRUSLSA-N 2 2 340.855 1.312 20 0 EDADLP Cn1cc(I)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000570646525 448043251 /nfs/dbraw/zinc/04/32/51/448043251.db2.gz IUEMXNVWRXNMEZ-DTWKUNHWSA-N 2 2 334.205 1.384 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000499709358 448083736 /nfs/dbraw/zinc/08/37/36/448083736.db2.gz ADKJGFAZKJDJDN-OKZBNKHCSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000499709358 448083740 /nfs/dbraw/zinc/08/37/40/448083740.db2.gz ADKJGFAZKJDJDN-OKZBNKHCSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[NH+]2Cc2ccccc2)[N@H+](C)C1 ZINC000499709358 448083745 /nfs/dbraw/zinc/08/37/45/448083745.db2.gz ADKJGFAZKJDJDN-OKZBNKHCSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[NH+]2Cc2ccccc2)[N@@H+](C)C1 ZINC000499709358 448083747 /nfs/dbraw/zinc/08/37/47/448083747.db2.gz ADKJGFAZKJDJDN-OKZBNKHCSA-N 2 2 331.460 1.438 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H](Cc2ccccc2)C[NH+](C)C)no1 ZINC000555911431 448097467 /nfs/dbraw/zinc/09/74/67/448097467.db2.gz BPFPGGOXKOVKEO-MRXNPFEDSA-N 2 2 330.432 2.074 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)C[C@@H](C)O1 ZINC000571158623 448112779 /nfs/dbraw/zinc/11/27/79/448112779.db2.gz PKSSGULQYOMYIU-YFHUEUNASA-N 2 2 334.460 1.960 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)C[C@H](C)O1 ZINC000571158622 448113297 /nfs/dbraw/zinc/11/32/97/448113297.db2.gz PKSSGULQYOMYIU-KYHPRHEASA-N 2 2 334.460 1.960 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)C[C@H](C)O1 ZINC000571158622 448113298 /nfs/dbraw/zinc/11/32/98/448113298.db2.gz PKSSGULQYOMYIU-KYHPRHEASA-N 2 2 334.460 1.960 20 0 EDADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(=O)n(C)c1 ZINC000531730851 448134650 /nfs/dbraw/zinc/13/46/50/448134650.db2.gz OATQWFSARXRAOY-UHFFFAOYSA-N 2 2 349.479 1.183 20 0 EDADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(=O)n(C)c1 ZINC000531730851 448134654 /nfs/dbraw/zinc/13/46/54/448134654.db2.gz OATQWFSARXRAOY-UHFFFAOYSA-N 2 2 349.479 1.183 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000556718991 448142847 /nfs/dbraw/zinc/14/28/47/448142847.db2.gz IEYABXDWVOYIDW-CYBMUJFWSA-N 2 2 347.488 1.770 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000556718991 448142853 /nfs/dbraw/zinc/14/28/53/448142853.db2.gz IEYABXDWVOYIDW-CYBMUJFWSA-N 2 2 347.488 1.770 20 0 EDADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000571414966 448149949 /nfs/dbraw/zinc/14/99/49/448149949.db2.gz PAJFSELDRONWFE-VIKVFOODSA-N 2 2 327.388 1.301 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000576835008 448152013 /nfs/dbraw/zinc/15/20/13/448152013.db2.gz ZQYWZVDYBQGKOZ-ROUUACIJSA-N 2 2 333.476 1.063 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000576835008 448152015 /nfs/dbraw/zinc/15/20/15/448152015.db2.gz ZQYWZVDYBQGKOZ-ROUUACIJSA-N 2 2 333.476 1.063 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000576835008 448152017 /nfs/dbraw/zinc/15/20/17/448152017.db2.gz ZQYWZVDYBQGKOZ-ROUUACIJSA-N 2 2 333.476 1.063 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000576835008 448152020 /nfs/dbraw/zinc/15/20/20/448152020.db2.gz ZQYWZVDYBQGKOZ-ROUUACIJSA-N 2 2 333.476 1.063 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000571433370 448153752 /nfs/dbraw/zinc/15/37/52/448153752.db2.gz ZWRNWBXUCWLHNA-SIIHOXLZSA-N 2 2 329.444 1.980 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000571433370 448153754 /nfs/dbraw/zinc/15/37/54/448153754.db2.gz ZWRNWBXUCWLHNA-SIIHOXLZSA-N 2 2 329.444 1.980 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000527325897 448210857 /nfs/dbraw/zinc/21/08/57/448210857.db2.gz CPRUVTIUIVRWKS-UHFFFAOYSA-N 2 2 331.464 1.393 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000514668355 448182139 /nfs/dbraw/zinc/18/21/39/448182139.db2.gz FULCHQBZSSDPFW-YDHLFZDLSA-N 2 2 342.867 1.908 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)c2ccccc2)CC1 ZINC000577061534 448202577 /nfs/dbraw/zinc/20/25/77/448202577.db2.gz UROBAAUHRDWUBB-MJGOQNOKSA-N 2 2 348.466 1.135 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000514598745 448168914 /nfs/dbraw/zinc/16/89/14/448168914.db2.gz JTPVCEDNCWSJPK-INIZCTEOSA-N 2 2 344.459 1.826 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000514598745 448168920 /nfs/dbraw/zinc/16/89/20/448168920.db2.gz JTPVCEDNCWSJPK-INIZCTEOSA-N 2 2 344.459 1.826 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000582428681 448237189 /nfs/dbraw/zinc/23/71/89/448237189.db2.gz WFEZMNARHQSEJG-YOEHRIQHSA-N 2 2 326.444 1.705 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000582428681 448237193 /nfs/dbraw/zinc/23/71/93/448237193.db2.gz WFEZMNARHQSEJG-YOEHRIQHSA-N 2 2 326.444 1.705 20 0 EDADLP CCS(=O)(=O)N1CC(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000527368756 448218240 /nfs/dbraw/zinc/21/82/40/448218240.db2.gz CUMDCQOVWMLZGD-UHFFFAOYSA-N 2 2 340.474 1.305 20 0 EDADLP COCC1(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC[NH2+]CC1 ZINC000577269905 448252398 /nfs/dbraw/zinc/25/23/98/448252398.db2.gz XKMSJOBFYKZWTP-HOTGVXAUSA-N 2 2 349.479 1.492 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000582487760 448252874 /nfs/dbraw/zinc/25/28/74/448252874.db2.gz BAEGMXKIDPEAMK-IBGZPJMESA-N 2 2 345.491 1.234 20 0 EDADLP Cc1c[nH+]c(C)nc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000582696522 448311863 /nfs/dbraw/zinc/31/18/63/448311863.db2.gz GRPLLSCBCAZMIW-KRWDZBQOSA-N 2 2 333.480 1.325 20 0 EDADLP Cc1c[nH+]c(C)nc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000582696522 448311868 /nfs/dbraw/zinc/31/18/68/448311868.db2.gz GRPLLSCBCAZMIW-KRWDZBQOSA-N 2 2 333.480 1.325 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000582719783 448320791 /nfs/dbraw/zinc/32/07/91/448320791.db2.gz YBTUWSOWEMJSAK-AGIUHOORSA-N 2 2 339.386 1.427 20 0 EDADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000572121454 448293631 /nfs/dbraw/zinc/29/36/31/448293631.db2.gz WLWWEHYZLRMJLF-ROUUACIJSA-N 2 2 336.476 1.425 20 0 EDADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000572121454 448293640 /nfs/dbraw/zinc/29/36/40/448293640.db2.gz WLWWEHYZLRMJLF-ROUUACIJSA-N 2 2 336.476 1.425 20 0 EDADLP Cc1c[nH+]c(C)nc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000563420920 448301053 /nfs/dbraw/zinc/30/10/53/448301053.db2.gz NGHBPEWEDKKDQW-UHFFFAOYSA-N 2 2 341.463 1.898 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000591409574 448354843 /nfs/dbraw/zinc/35/48/43/448354843.db2.gz UCDMTKWMGFITPQ-NJAFHUGGSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000591409574 448354849 /nfs/dbraw/zinc/35/48/49/448354849.db2.gz UCDMTKWMGFITPQ-NJAFHUGGSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000591409574 448354855 /nfs/dbraw/zinc/35/48/55/448354855.db2.gz UCDMTKWMGFITPQ-NJAFHUGGSA-N 2 2 346.475 1.452 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCSc3c(F)cccc32)[C@H](C[NH3+])C1 ZINC000577712007 448364642 /nfs/dbraw/zinc/36/46/42/448364642.db2.gz SOUMGYMRLWRYQL-RISCZKNCSA-N 2 2 338.452 1.647 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c[nH+]1 ZINC000527657677 448332645 /nfs/dbraw/zinc/33/26/45/448332645.db2.gz AQECRALZLHSQTA-MRXNPFEDSA-N 2 2 331.464 1.964 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c[nH+]1 ZINC000527657677 448332651 /nfs/dbraw/zinc/33/26/51/448332651.db2.gz AQECRALZLHSQTA-MRXNPFEDSA-N 2 2 331.464 1.964 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)[nH+]c12 ZINC000591345997 448333222 /nfs/dbraw/zinc/33/32/22/448333222.db2.gz VAERSGWOEKNLOC-LSDHHAIUSA-N 2 2 330.432 1.411 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1=O ZINC000516188667 448394940 /nfs/dbraw/zinc/39/49/40/448394940.db2.gz OHUBKKOBRKZMLT-KGLIPLIRSA-N 2 2 347.463 1.094 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1=O ZINC000516188667 448394945 /nfs/dbraw/zinc/39/49/45/448394945.db2.gz OHUBKKOBRKZMLT-KGLIPLIRSA-N 2 2 347.463 1.094 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000533368481 448395766 /nfs/dbraw/zinc/39/57/66/448395766.db2.gz CGVNWCAOCZUZBN-MRXNPFEDSA-N 2 2 331.464 1.461 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000533368481 448395772 /nfs/dbraw/zinc/39/57/72/448395772.db2.gz CGVNWCAOCZUZBN-MRXNPFEDSA-N 2 2 331.464 1.461 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000572585176 448414296 /nfs/dbraw/zinc/41/42/96/448414296.db2.gz KCLVMOOWCKSOKF-ZWKOTPCHSA-N 3 2 345.491 1.108 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000572585176 448414302 /nfs/dbraw/zinc/41/43/02/448414302.db2.gz KCLVMOOWCKSOKF-ZWKOTPCHSA-N 3 2 345.491 1.108 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000516080896 448378789 /nfs/dbraw/zinc/37/87/89/448378789.db2.gz FXHHTFUSGDGFKA-UHFFFAOYSA-N 2 2 327.375 1.484 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000577960391 448426371 /nfs/dbraw/zinc/42/63/71/448426371.db2.gz FLNWKLJMCXWWFD-BFYDXBDKSA-N 2 2 339.867 1.514 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000577960391 448426379 /nfs/dbraw/zinc/42/63/79/448426379.db2.gz FLNWKLJMCXWWFD-BFYDXBDKSA-N 2 2 339.867 1.514 20 0 EDADLP CCCCNc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000528189765 448456881 /nfs/dbraw/zinc/45/68/81/448456881.db2.gz GHXSXAUXIQGDEL-UHFFFAOYSA-N 2 2 348.495 1.962 20 0 EDADLP CCCCNc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)[nH+]c(N)n1 ZINC000528189765 448456885 /nfs/dbraw/zinc/45/68/85/448456885.db2.gz GHXSXAUXIQGDEL-UHFFFAOYSA-N 2 2 348.495 1.962 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cscn1 ZINC000578130175 448467941 /nfs/dbraw/zinc/46/79/41/448467941.db2.gz VIWLYFUNIMSUPQ-WBVHZDCISA-N 2 2 344.484 1.824 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cscn1 ZINC000578130175 448467946 /nfs/dbraw/zinc/46/79/46/448467946.db2.gz VIWLYFUNIMSUPQ-WBVHZDCISA-N 2 2 344.484 1.824 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000578206498 448486547 /nfs/dbraw/zinc/48/65/47/448486547.db2.gz VMHAWZMDHAXJNH-TZMCWYRMSA-N 2 2 344.242 1.616 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000578206498 448486551 /nfs/dbraw/zinc/48/65/51/448486551.db2.gz VMHAWZMDHAXJNH-TZMCWYRMSA-N 2 2 344.242 1.616 20 0 EDADLP CCN1CCN(C(=O)NCC2([NH3+])CCCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000584400475 448512287 /nfs/dbraw/zinc/51/22/87/448512287.db2.gz NCTIAMOFQDMUFE-OAHLLOKOSA-N 2 2 348.495 1.850 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C[C@H]12 ZINC000517019105 448524042 /nfs/dbraw/zinc/52/40/42/448524042.db2.gz SOFATQJTNQLBQZ-FGTMMUONSA-N 2 2 339.443 1.810 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000517243886 448562347 /nfs/dbraw/zinc/56/23/47/448562347.db2.gz RDLUSGOBXJAUDP-SJORKVTESA-N 2 2 330.476 1.455 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000517243886 448562354 /nfs/dbraw/zinc/56/23/54/448562354.db2.gz RDLUSGOBXJAUDP-SJORKVTESA-N 2 2 330.476 1.455 20 0 EDADLP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000566852918 448571482 /nfs/dbraw/zinc/57/14/82/448571482.db2.gz CLEPXBUNUIHXJE-WMZOPIPTSA-N 2 2 329.444 1.197 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000517149591 448543657 /nfs/dbraw/zinc/54/36/57/448543657.db2.gz PITZFOGFHDCJJQ-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000517149591 448543661 /nfs/dbraw/zinc/54/36/61/448543661.db2.gz PITZFOGFHDCJJQ-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000517149591 448543666 /nfs/dbraw/zinc/54/36/66/448543666.db2.gz PITZFOGFHDCJJQ-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000517149591 448543670 /nfs/dbraw/zinc/54/36/70/448543670.db2.gz PITZFOGFHDCJJQ-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)Oc1cc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000578435828 448544701 /nfs/dbraw/zinc/54/47/01/448544701.db2.gz SUHZLUIGUOLBSR-UXLLHSPISA-N 2 2 337.464 1.429 20 0 EDADLP CC(C)Oc1cc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000578435828 448544706 /nfs/dbraw/zinc/54/47/06/448544706.db2.gz SUHZLUIGUOLBSR-UXLLHSPISA-N 2 2 337.464 1.429 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000566729380 448546042 /nfs/dbraw/zinc/54/60/42/448546042.db2.gz KHRGFKGIROALAV-FVQBIDKESA-N 2 2 349.479 1.358 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@H+]1C[C@@H](C)O ZINC000566729380 448546045 /nfs/dbraw/zinc/54/60/45/448546045.db2.gz KHRGFKGIROALAV-FVQBIDKESA-N 2 2 349.479 1.358 20 0 EDADLP C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000567060095 448607957 /nfs/dbraw/zinc/60/79/57/448607957.db2.gz ODUPCHKQHMFHHM-HKUYNNGSSA-N 2 2 345.487 1.386 20 0 EDADLP Cc1nc2ccc(NC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cn2n1 ZINC000573369085 448609438 /nfs/dbraw/zinc/60/94/38/448609438.db2.gz SSUSMMVAIALNKN-UHFFFAOYSA-N 2 2 345.451 1.185 20 0 EDADLP COc1ccc(-c2nc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)co2)cc1 ZINC000567124950 448618102 /nfs/dbraw/zinc/61/81/02/448618102.db2.gz XWVVESJEGOLFOW-HOCLYGCPSA-N 2 2 342.399 1.094 20 0 EDADLP COc1ccc(-c2nc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)co2)cc1 ZINC000567124950 448618110 /nfs/dbraw/zinc/61/81/10/448618110.db2.gz XWVVESJEGOLFOW-HOCLYGCPSA-N 2 2 342.399 1.094 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccc(OC(F)F)c2)[C@@H](C[NH3+])C1 ZINC000584769660 448624201 /nfs/dbraw/zinc/62/42/01/448624201.db2.gz YWIGFKVZCOBBLH-LBPRGKRZSA-N 2 2 328.363 1.072 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(OC(F)F)c2)[C@@H](C[NH3+])C1 ZINC000584769660 448624204 /nfs/dbraw/zinc/62/42/04/448624204.db2.gz YWIGFKVZCOBBLH-LBPRGKRZSA-N 2 2 328.363 1.072 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)c1 ZINC000584616760 448584803 /nfs/dbraw/zinc/58/48/03/448584803.db2.gz LCDUURVZUPUMQA-CQSZACIVSA-N 2 2 341.415 1.198 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000573281625 448586374 /nfs/dbraw/zinc/58/63/74/448586374.db2.gz FURNHJVETAGJRK-RDJZCZTQSA-N 2 2 347.507 1.398 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000573281625 448586376 /nfs/dbraw/zinc/58/63/76/448586376.db2.gz FURNHJVETAGJRK-RDJZCZTQSA-N 2 2 347.507 1.398 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(OC(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000584708325 448602541 /nfs/dbraw/zinc/60/25/41/448602541.db2.gz AULUZFZEHFELKT-ZDUSSCGKSA-N 2 2 342.390 1.115 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccc(OC(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000584708325 448602545 /nfs/dbraw/zinc/60/25/45/448602545.db2.gz AULUZFZEHFELKT-ZDUSSCGKSA-N 2 2 342.390 1.115 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NCC1=CC[N@H+](C)CC1)C(F)(F)F ZINC000573337752 448602930 /nfs/dbraw/zinc/60/29/30/448602930.db2.gz YOPRHHNBGRXOBO-LBPRGKRZSA-N 2 2 330.354 1.834 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NCC1=CC[N@@H+](C)CC1)C(F)(F)F ZINC000573337752 448602935 /nfs/dbraw/zinc/60/29/35/448602935.db2.gz YOPRHHNBGRXOBO-LBPRGKRZSA-N 2 2 330.354 1.834 20 0 EDADLP CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000584827261 448645850 /nfs/dbraw/zinc/64/58/50/448645850.db2.gz BEFXOIIEAOZECK-CZUORRHYSA-N 2 2 347.463 1.322 20 0 EDADLP CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000584827261 448645858 /nfs/dbraw/zinc/64/58/58/448645858.db2.gz BEFXOIIEAOZECK-CZUORRHYSA-N 2 2 347.463 1.322 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cnnc3ccccc32)CC1 ZINC000528786487 448675817 /nfs/dbraw/zinc/67/58/17/448675817.db2.gz VJQAKRRPIVCARF-UHFFFAOYSA-N 2 2 327.432 1.386 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000573445736 448630094 /nfs/dbraw/zinc/63/00/94/448630094.db2.gz SSENTGKVIZWVKH-OAHLLOKOSA-N 2 2 337.439 1.899 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000573445736 448630098 /nfs/dbraw/zinc/63/00/98/448630098.db2.gz SSENTGKVIZWVKH-OAHLLOKOSA-N 2 2 337.439 1.899 20 0 EDADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)(C)C[NH+]1CCCC1 ZINC000573463119 448635615 /nfs/dbraw/zinc/63/56/15/448635615.db2.gz ZGIMMXNLZIWAAZ-UHFFFAOYSA-N 2 2 328.420 1.609 20 0 EDADLP CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567596440 448720565 /nfs/dbraw/zinc/72/05/65/448720565.db2.gz ZRHSMHVTINDZJK-ZENOOKHLSA-N 2 2 338.427 1.186 20 0 EDADLP CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567596440 448720569 /nfs/dbraw/zinc/72/05/69/448720569.db2.gz ZRHSMHVTINDZJK-ZENOOKHLSA-N 2 2 338.427 1.186 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000518459678 448679101 /nfs/dbraw/zinc/67/91/01/448679101.db2.gz FEQCLHSMPITBML-UHFFFAOYSA-N 2 2 342.443 1.948 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)N3CC(n4cc[nH+]c4)C3)c2)cc[nH+]1 ZINC000543585409 448741994 /nfs/dbraw/zinc/74/19/94/448741994.db2.gz GHISTZGONBONPQ-UHFFFAOYSA-N 2 2 348.410 2.291 20 0 EDADLP COCC(=O)NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000585748523 448756014 /nfs/dbraw/zinc/75/60/14/448756014.db2.gz WEYLYUQJPVRWAJ-UHFFFAOYSA-N 2 2 328.416 1.599 20 0 EDADLP CCO[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000579344570 448771523 /nfs/dbraw/zinc/77/15/23/448771523.db2.gz GFGFETHBYHYYIW-ZAWLATJESA-N 2 2 336.476 1.824 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000519548812 448784853 /nfs/dbraw/zinc/78/48/53/448784853.db2.gz JOCDZYZBEXBKBV-PWSUYJOCSA-N 2 2 329.322 1.171 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc3c2OCC3)CC1 ZINC000529193712 448785712 /nfs/dbraw/zinc/78/57/12/448785712.db2.gz LFFWBKDFFUKSMY-UHFFFAOYSA-N 2 2 332.448 1.769 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000568104091 448816903 /nfs/dbraw/zinc/81/69/03/448816903.db2.gz ZWFWGOCVPPBEBB-GOSISDBHSA-N 2 2 345.487 1.600 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000568104091 448816910 /nfs/dbraw/zinc/81/69/10/448816910.db2.gz ZWFWGOCVPPBEBB-GOSISDBHSA-N 2 2 345.487 1.600 20 0 EDADLP COc1ccc([C@@H](CNc2nc[nH+]c(N)c2OC)[NH+]2CCCC2)cc1 ZINC000568242477 448842961 /nfs/dbraw/zinc/84/29/61/448842961.db2.gz JYCYBPBYCRXOJE-OAHLLOKOSA-N 2 2 343.431 2.325 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)CC(F)(F)C[NH3+])CC2)cc1 ZINC000579725904 448865118 /nfs/dbraw/zinc/86/51/18/448865118.db2.gz LQMSNCWQDWUPJZ-UHFFFAOYSA-N 2 2 341.402 1.714 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c(C)noc3C)CC2)CC1 ZINC000574441024 448874930 /nfs/dbraw/zinc/87/49/30/448874930.db2.gz JUIILFYADBPIDN-UHFFFAOYSA-N 2 2 334.464 1.924 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c(C)noc3C)CC2)CC1 ZINC000574441024 448874934 /nfs/dbraw/zinc/87/49/34/448874934.db2.gz JUIILFYADBPIDN-UHFFFAOYSA-N 2 2 334.464 1.924 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000592488781 448859169 /nfs/dbraw/zinc/85/91/69/448859169.db2.gz OFMVBEUPZWESMY-AAEUAGOBSA-N 2 2 348.403 1.123 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000592488781 448859170 /nfs/dbraw/zinc/85/91/70/448859170.db2.gz OFMVBEUPZWESMY-AAEUAGOBSA-N 2 2 348.403 1.123 20 0 EDADLP C[N@@H+]1CCN(Cc2cc3c(cc2Br)OCO3)[C@@H](C[NH3+])C1 ZINC000568632124 448900004 /nfs/dbraw/zinc/90/00/04/448900004.db2.gz IWTHOEORNJGYFB-NSHDSACASA-N 2 2 342.237 1.253 20 0 EDADLP C[N@H+]1CCN(Cc2cc3c(cc2Br)OCO3)[C@@H](C[NH3+])C1 ZINC000568632124 448900008 /nfs/dbraw/zinc/90/00/08/448900008.db2.gz IWTHOEORNJGYFB-NSHDSACASA-N 2 2 342.237 1.253 20 0 EDADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000579907705 448904985 /nfs/dbraw/zinc/90/49/85/448904985.db2.gz VRKXHTHFALECNB-HZPDHXFCSA-N 2 2 341.459 1.840 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000574647787 448925050 /nfs/dbraw/zinc/92/50/50/448925050.db2.gz YSQRUDCRLSYXEF-LZLYRXPVSA-N 3 2 327.513 1.168 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000574647787 448925052 /nfs/dbraw/zinc/92/50/52/448925052.db2.gz YSQRUDCRLSYXEF-LZLYRXPVSA-N 3 2 327.513 1.168 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000521072035 448952967 /nfs/dbraw/zinc/95/29/67/448952967.db2.gz KNFRBDMRAGKOFD-OAHLLOKOSA-N 2 2 347.459 1.300 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000521072035 448952969 /nfs/dbraw/zinc/95/29/69/448952969.db2.gz KNFRBDMRAGKOFD-OAHLLOKOSA-N 2 2 347.459 1.300 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000521088877 448954822 /nfs/dbraw/zinc/95/48/22/448954822.db2.gz JVXJAEYIXDEFRF-UHFFFAOYSA-N 2 2 340.387 1.556 20 0 EDADLP CC[NH+](CC)CCOc1ccccc1CNc1nc[nH+]c(N)c1OC ZINC000581022268 448964055 /nfs/dbraw/zinc/96/40/55/448964055.db2.gz QIWUBPLRWDHXOJ-UHFFFAOYSA-N 2 2 345.447 2.400 20 0 EDADLP CC[NH+](CC)CCOc1ccccc1CNc1[nH+]cnc(N)c1OC ZINC000581022268 448964059 /nfs/dbraw/zinc/96/40/59/448964059.db2.gz QIWUBPLRWDHXOJ-UHFFFAOYSA-N 2 2 345.447 2.400 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000589124604 448971982 /nfs/dbraw/zinc/97/19/82/448971982.db2.gz AYLZXWACCQFHAR-SFHVURJKSA-N 2 2 346.475 1.084 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000589124604 448971987 /nfs/dbraw/zinc/97/19/87/448971987.db2.gz AYLZXWACCQFHAR-SFHVURJKSA-N 2 2 346.475 1.084 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CO1 ZINC000569236483 448988019 /nfs/dbraw/zinc/98/80/19/448988019.db2.gz QAUIQZVXTJUAFX-HCMIALLCSA-N 2 2 336.480 1.116 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CO1 ZINC000569236483 448988024 /nfs/dbraw/zinc/98/80/24/448988024.db2.gz QAUIQZVXTJUAFX-HCMIALLCSA-N 2 2 336.480 1.116 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H]1CCC[NH2+]C1 ZINC000568974081 448945984 /nfs/dbraw/zinc/94/59/84/448945984.db2.gz FBPUFNGSRMYXSN-KRWDZBQOSA-N 2 2 327.432 1.730 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529910607 449001913 /nfs/dbraw/zinc/00/19/13/449001913.db2.gz FOCMMQCOJOHUBJ-UHFFFAOYSA-N 2 2 332.448 1.475 20 0 EDADLP C[C@@H](CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000521869462 449021013 /nfs/dbraw/zinc/02/10/13/449021013.db2.gz BSSSZEQACXTEJW-JKSUJKDBSA-N 2 2 333.480 1.090 20 0 EDADLP CCCC(=O)Nc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000575050896 449022071 /nfs/dbraw/zinc/02/20/71/449022071.db2.gz DJXMSIQXSARGND-MRXNPFEDSA-N 2 2 347.463 1.210 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000600188233 449233351 /nfs/dbraw/zinc/23/33/51/449233351.db2.gz APXYVQNRWPNHKV-INIZCTEOSA-N 3 2 325.497 1.726 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000600188233 449233358 /nfs/dbraw/zinc/23/33/58/449233358.db2.gz APXYVQNRWPNHKV-INIZCTEOSA-N 3 2 325.497 1.726 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604646996 449269219 /nfs/dbraw/zinc/26/92/19/449269219.db2.gz ZDYGLCQIUUWYKD-INIZCTEOSA-N 2 2 330.476 1.985 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604646996 449269226 /nfs/dbraw/zinc/26/92/26/449269226.db2.gz ZDYGLCQIUUWYKD-INIZCTEOSA-N 2 2 330.476 1.985 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593508266 449314947 /nfs/dbraw/zinc/31/49/47/449314947.db2.gz REHGRKGVVLICPZ-CQSZACIVSA-N 2 2 341.411 1.667 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593508266 449314953 /nfs/dbraw/zinc/31/49/53/449314953.db2.gz REHGRKGVVLICPZ-CQSZACIVSA-N 2 2 341.411 1.667 20 0 EDADLP COC(=O)Cc1cc[nH+]c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000596130781 449379163 /nfs/dbraw/zinc/37/91/63/449379163.db2.gz WPOKQGFSGSQNQZ-OAHLLOKOSA-N 2 2 333.432 1.710 20 0 EDADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCC(F)(F)F ZINC000613974274 449402972 /nfs/dbraw/zinc/40/29/72/449402972.db2.gz JMMNKHRHCPFIRW-VXGBXAGGSA-N 2 2 332.370 1.914 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCC(F)(F)F ZINC000613974274 449402978 /nfs/dbraw/zinc/40/29/78/449402978.db2.gz JMMNKHRHCPFIRW-VXGBXAGGSA-N 2 2 332.370 1.914 20 0 EDADLP CCc1cccc(OCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602199000 449427202 /nfs/dbraw/zinc/42/72/02/449427202.db2.gz CLAIKMLWZZBBBX-KRWDZBQOSA-N 2 2 345.487 1.913 20 0 EDADLP CCc1cccc(OCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602199000 449427208 /nfs/dbraw/zinc/42/72/08/449427208.db2.gz CLAIKMLWZZBBBX-KRWDZBQOSA-N 2 2 345.487 1.913 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3CCc4ccccc43)C2)CC1 ZINC000602200060 449429155 /nfs/dbraw/zinc/42/91/55/449429155.db2.gz LFFOXHUEUMIOHY-KRWDZBQOSA-N 2 2 342.487 1.334 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3CCc4ccccc43)C2)CC1 ZINC000602200060 449429161 /nfs/dbraw/zinc/42/91/61/449429161.db2.gz LFFOXHUEUMIOHY-KRWDZBQOSA-N 2 2 342.487 1.334 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc4n[nH]cc43)C2)CC1 ZINC000602202780 449431092 /nfs/dbraw/zinc/43/10/92/449431092.db2.gz STMZAURAUITMGC-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc4n[nH]cc43)C2)CC1 ZINC000602202780 449431094 /nfs/dbraw/zinc/43/10/94/449431094.db2.gz STMZAURAUITMGC-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP COc1cc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000602203488 449431258 /nfs/dbraw/zinc/43/12/58/449431258.db2.gz PVWAXVFAAXCHHB-QGZVFWFLSA-N 2 2 345.487 1.831 20 0 EDADLP COc1cc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000602203488 449431260 /nfs/dbraw/zinc/43/12/60/449431260.db2.gz PVWAXVFAAXCHHB-QGZVFWFLSA-N 2 2 345.487 1.831 20 0 EDADLP CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000606439283 449467973 /nfs/dbraw/zinc/46/79/73/449467973.db2.gz OFLBWZWSYNDORT-IAGOWNOFSA-N 2 2 346.475 1.620 20 0 EDADLP CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000606439283 449467977 /nfs/dbraw/zinc/46/79/77/449467977.db2.gz OFLBWZWSYNDORT-IAGOWNOFSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H](C)O1 ZINC000612057770 449545140 /nfs/dbraw/zinc/54/51/40/449545140.db2.gz QRYJTBIITHLGFM-QKPAOTATSA-N 2 2 334.464 1.529 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H](C)O1 ZINC000612057770 449545146 /nfs/dbraw/zinc/54/51/46/449545146.db2.gz QRYJTBIITHLGFM-QKPAOTATSA-N 2 2 334.464 1.529 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H](C)O1 ZINC000612057769 449545384 /nfs/dbraw/zinc/54/53/84/449545384.db2.gz QRYJTBIITHLGFM-KLHDSHLOSA-N 2 2 334.464 1.529 20 0 EDADLP CN(CCCC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000607034009 449564221 /nfs/dbraw/zinc/56/42/21/449564221.db2.gz AADGRPRJKIVTKH-UHFFFAOYSA-N 2 2 333.476 1.933 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000602536106 449657743 /nfs/dbraw/zinc/65/77/43/449657743.db2.gz XWNZSDHRSMCWMT-IRXDYDNUSA-N 2 2 347.459 1.246 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000602536106 449657750 /nfs/dbraw/zinc/65/77/50/449657750.db2.gz XWNZSDHRSMCWMT-IRXDYDNUSA-N 2 2 347.459 1.246 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2ccccn2)nc1 ZINC000617763151 449822002 /nfs/dbraw/zinc/82/20/02/449822002.db2.gz HBTFUVRLFHWJIJ-UHFFFAOYSA-N 2 2 341.459 1.757 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2ccccn2)nc1 ZINC000617763151 449822009 /nfs/dbraw/zinc/82/20/09/449822009.db2.gz HBTFUVRLFHWJIJ-UHFFFAOYSA-N 2 2 341.459 1.757 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000617763657 449822162 /nfs/dbraw/zinc/82/21/62/449822162.db2.gz WUMLMLZKNXNKST-UHFFFAOYSA-N 2 2 349.475 1.693 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000617763657 449822168 /nfs/dbraw/zinc/82/21/68/449822168.db2.gz WUMLMLZKNXNKST-UHFFFAOYSA-N 2 2 349.475 1.693 20 0 EDADLP Cc1ccc2c(c1)CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)O2 ZINC000617764400 449824071 /nfs/dbraw/zinc/82/40/71/449824071.db2.gz VKACMZWFERKSDE-SFHVURJKSA-N 2 2 333.476 1.688 20 0 EDADLP Cc1ccc2c(c1)CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)O2 ZINC000617764400 449824075 /nfs/dbraw/zinc/82/40/75/449824075.db2.gz VKACMZWFERKSDE-SFHVURJKSA-N 2 2 333.476 1.688 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000617765861 449826365 /nfs/dbraw/zinc/82/63/65/449826365.db2.gz TWHAZXWVDZMCKV-GOSISDBHSA-N 2 2 333.476 1.804 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000617765861 449826371 /nfs/dbraw/zinc/82/63/71/449826371.db2.gz TWHAZXWVDZMCKV-GOSISDBHSA-N 2 2 333.476 1.804 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000617765097 449826441 /nfs/dbraw/zinc/82/64/41/449826441.db2.gz TWYDAULCOPBWHP-CQSZACIVSA-N 2 2 339.509 1.112 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCN1c1nccs1 ZINC000617765097 449826446 /nfs/dbraw/zinc/82/64/46/449826446.db2.gz TWYDAULCOPBWHP-CQSZACIVSA-N 2 2 339.509 1.112 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC[N@H+](C)C1 ZINC000597127550 449827371 /nfs/dbraw/zinc/82/73/71/449827371.db2.gz IJQIIWLFVGNJJL-CYBMUJFWSA-N 2 2 345.403 1.211 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC[N@@H+](C)C1 ZINC000597127550 449827378 /nfs/dbraw/zinc/82/73/78/449827378.db2.gz IJQIIWLFVGNJJL-CYBMUJFWSA-N 2 2 345.403 1.211 20 0 EDADLP CS[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)C[C@@H]1[NH+]1CCCC1 ZINC000614822372 449830411 /nfs/dbraw/zinc/83/04/11/449830411.db2.gz HKQXQWNQHNSPDS-UONOGXRCSA-N 2 2 330.461 1.678 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Cn2cccn2)cc1 ZINC000617767779 449832100 /nfs/dbraw/zinc/83/21/00/449832100.db2.gz CEPLRVJMFQZAFF-UHFFFAOYSA-N 2 2 343.475 1.545 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Cn2cccn2)cc1 ZINC000617767779 449832110 /nfs/dbraw/zinc/83/21/10/449832110.db2.gz CEPLRVJMFQZAFF-UHFFFAOYSA-N 2 2 343.475 1.545 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000601326806 449833450 /nfs/dbraw/zinc/83/34/50/449833450.db2.gz PYVCHDOSENVLNA-MDZLAQPJSA-N 2 2 337.445 1.167 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)C1=O ZINC000601326806 449833455 /nfs/dbraw/zinc/83/34/55/449833455.db2.gz PYVCHDOSENVLNA-MDZLAQPJSA-N 2 2 337.445 1.167 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc2ccccc2c1O ZINC000617768062 449833563 /nfs/dbraw/zinc/83/35/63/449833563.db2.gz NPVNQHAUYSMTTQ-UHFFFAOYSA-N 2 2 330.432 1.141 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc2ccccc2c1O ZINC000617768062 449833569 /nfs/dbraw/zinc/83/35/69/449833569.db2.gz NPVNQHAUYSMTTQ-UHFFFAOYSA-N 2 2 330.432 1.141 20 0 EDADLP COC(=O)c1cn(C2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)nn1 ZINC000597083416 449802492 /nfs/dbraw/zinc/80/24/92/449802492.db2.gz LPTCZERFDKJWCK-UHFFFAOYSA-N 2 2 330.392 1.045 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)[C@@H](C[NH3+])C1 ZINC000612939891 449948587 /nfs/dbraw/zinc/94/85/87/449948587.db2.gz DMPNNKTVZFWBLC-LPHOPBHVSA-N 2 2 330.476 1.639 20 0 EDADLP O=C(NCc1ccco1)c1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000615097586 449956576 /nfs/dbraw/zinc/95/65/76/449956576.db2.gz GYMYYVIDUVFRLH-IAGOWNOFSA-N 2 2 325.412 1.861 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000609258475 449985411 /nfs/dbraw/zinc/98/54/11/449985411.db2.gz YDOUMSRNRJNJEC-ZBFHGGJFSA-N 2 2 348.447 1.320 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000609258475 449985412 /nfs/dbraw/zinc/98/54/12/449985412.db2.gz YDOUMSRNRJNJEC-ZBFHGGJFSA-N 2 2 348.447 1.320 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[N@@H+]1C ZINC000595349050 450063956 /nfs/dbraw/zinc/06/39/56/450063956.db2.gz XIGDTJQOCPFXTN-RBSFLKMASA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[N@H+]1C ZINC000595349050 450063959 /nfs/dbraw/zinc/06/39/59/450063959.db2.gz XIGDTJQOCPFXTN-RBSFLKMASA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[NH+]1C ZINC000595349050 450063961 /nfs/dbraw/zinc/06/39/61/450063961.db2.gz XIGDTJQOCPFXTN-RBSFLKMASA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)CC[NH+]1C ZINC000595349050 450063964 /nfs/dbraw/zinc/06/39/64/450063964.db2.gz XIGDTJQOCPFXTN-RBSFLKMASA-N 2 2 339.480 1.344 20 0 EDADLP C[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000618194202 450048388 /nfs/dbraw/zinc/04/83/88/450048388.db2.gz UMELZHKUWIJUPV-HNNXBMFYSA-N 2 2 348.466 1.356 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC[C@@H]([NH+]3CCOCC3)C1)CC2 ZINC000615535736 450129135 /nfs/dbraw/zinc/12/91/35/450129135.db2.gz OWJJCFRWHOITNL-DOTOQJQBSA-N 2 2 332.448 1.077 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597710966 450214346 /nfs/dbraw/zinc/21/43/46/450214346.db2.gz YVTKOUKLAAZFDG-MRXNPFEDSA-N 2 2 343.537 1.385 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)n1cc[nH+]c1 ZINC000619966281 450384766 /nfs/dbraw/zinc/38/47/66/450384766.db2.gz HDGACUGFMHXEBG-BZUAXINKSA-N 2 2 332.448 1.594 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)CC2 ZINC000616862764 450501723 /nfs/dbraw/zinc/50/17/23/450501723.db2.gz DZZAVNCPAAFTJG-ZFWWWQNUSA-N 2 2 345.447 1.363 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620770710 450541334 /nfs/dbraw/zinc/54/13/34/450541334.db2.gz UEMNAENAFUJDSC-LJQANCHMSA-N 2 2 345.487 1.880 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620770710 450541335 /nfs/dbraw/zinc/54/13/35/450541335.db2.gz UEMNAENAFUJDSC-LJQANCHMSA-N 2 2 345.487 1.880 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1(C)C ZINC000631471934 450612720 /nfs/dbraw/zinc/61/27/20/450612720.db2.gz LVGWCLHEVVTHRD-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1(C)C ZINC000631471934 450612725 /nfs/dbraw/zinc/61/27/25/450612725.db2.gz LVGWCLHEVVTHRD-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000631491781 450622140 /nfs/dbraw/zinc/62/21/40/450622140.db2.gz CVCPPVQZUZKZOL-JKSUJKDBSA-N 2 2 347.507 1.994 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000631491781 450622145 /nfs/dbraw/zinc/62/21/45/450622145.db2.gz CVCPPVQZUZKZOL-JKSUJKDBSA-N 2 2 347.507 1.994 20 0 EDADLP CC1(C)C[N@H+](CCNc2nc3ccccc3n3c[nH+]cc23)CCO1 ZINC000623924498 450637049 /nfs/dbraw/zinc/63/70/49/450637049.db2.gz DGJVJFFMVCVWSC-UHFFFAOYSA-N 2 2 325.416 2.405 20 0 EDADLP CC1(C)C[N@@H+](CCNc2nc3ccccc3n3c[nH+]cc23)CCO1 ZINC000623924498 450637052 /nfs/dbraw/zinc/63/70/52/450637052.db2.gz DGJVJFFMVCVWSC-UHFFFAOYSA-N 2 2 325.416 2.405 20 0 EDADLP C[NH+](C)CC1(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000635140878 450687400 /nfs/dbraw/zinc/68/74/00/450687400.db2.gz LRPYXTOXZJQQGC-QGZVFWFLSA-N 2 2 331.460 1.518 20 0 EDADLP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000624084847 450700397 /nfs/dbraw/zinc/70/03/97/450700397.db2.gz RRMOTANIPFBNRL-ZBFHGGJFSA-N 2 2 349.475 1.564 20 0 EDADLP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000624084847 450700400 /nfs/dbraw/zinc/70/04/00/450700400.db2.gz RRMOTANIPFBNRL-ZBFHGGJFSA-N 2 2 349.475 1.564 20 0 EDADLP COc1ccc(F)c(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000621375066 450707688 /nfs/dbraw/zinc/70/76/88/450707688.db2.gz MEIMREVSEYBOJC-UHFFFAOYSA-N 2 2 345.422 1.666 20 0 EDADLP CC(C)C[C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000635174674 450718977 /nfs/dbraw/zinc/71/89/77/450718977.db2.gz OAHYMEBWFNAGON-SJORKVTESA-N 2 2 336.480 1.943 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000624150473 450725121 /nfs/dbraw/zinc/72/51/21/450725121.db2.gz JRAZCJUKFQZJQC-UHFFFAOYSA-N 2 2 349.479 1.689 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000629550478 450732601 /nfs/dbraw/zinc/73/26/01/450732601.db2.gz NXKCYXBDYSCUDA-YOEHRIQHSA-N 2 2 338.473 1.463 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)cc1 ZINC000629550478 450732603 /nfs/dbraw/zinc/73/26/03/450732603.db2.gz NXKCYXBDYSCUDA-YOEHRIQHSA-N 2 2 338.473 1.463 20 0 EDADLP COc1cc2c(cc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)O[C@H](C)C2 ZINC000629653123 450772068 /nfs/dbraw/zinc/77/20/68/450772068.db2.gz NUWZHNFZLYDMEM-SNVBAGLBSA-N 2 2 330.388 1.263 20 0 EDADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000624227047 450754833 /nfs/dbraw/zinc/75/48/33/450754833.db2.gz FEISTUISRMLNEX-RHSMWYFYSA-N 2 2 334.464 1.934 20 0 EDADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000624227047 450754840 /nfs/dbraw/zinc/75/48/40/450754840.db2.gz FEISTUISRMLNEX-RHSMWYFYSA-N 2 2 334.464 1.934 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2csc(Br)c2)n1 ZINC000629652220 450771157 /nfs/dbraw/zinc/77/11/57/450771157.db2.gz CVHYNHZGFWPNHC-UHFFFAOYSA-N 2 2 329.223 1.755 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635313106 450837408 /nfs/dbraw/zinc/83/74/08/450837408.db2.gz IQJICARZMRAYMN-RYUDHWBXSA-N 2 2 334.342 1.214 20 0 EDADLP c1cnc(CC[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cn1 ZINC000631873703 450838787 /nfs/dbraw/zinc/83/87/87/450838787.db2.gz UMAWLURVLWBUEQ-UHFFFAOYSA-N 2 2 337.471 1.483 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000631826301 450799474 /nfs/dbraw/zinc/79/94/74/450799474.db2.gz KFDIIGNRJQGYCQ-JFIYKMOQSA-N 2 2 330.476 1.232 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ncccc3C(F)(F)F)C2)nn1 ZINC000631828622 450801036 /nfs/dbraw/zinc/80/10/36/450801036.db2.gz TVQCHLLRPZDFHA-LBPRGKRZSA-N 2 2 340.353 1.988 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ncccc3C(F)(F)F)C2)nn1 ZINC000631828622 450801041 /nfs/dbraw/zinc/80/10/41/450801041.db2.gz TVQCHLLRPZDFHA-LBPRGKRZSA-N 2 2 340.353 1.988 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886935 450848456 /nfs/dbraw/zinc/84/84/56/450848456.db2.gz LABANAIUBFLHLZ-PKOBYXMFSA-N 2 2 345.487 1.988 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886935 450848463 /nfs/dbraw/zinc/84/84/63/450848463.db2.gz LABANAIUBFLHLZ-PKOBYXMFSA-N 2 2 345.487 1.988 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000624616673 450926117 /nfs/dbraw/zinc/92/61/17/450926117.db2.gz IGAKNKMLRZFUJW-KRWDZBQOSA-N 2 2 345.491 1.641 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000624616673 450926124 /nfs/dbraw/zinc/92/61/24/450926124.db2.gz IGAKNKMLRZFUJW-KRWDZBQOSA-N 2 2 345.491 1.641 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)CC2 ZINC000627769164 450928189 /nfs/dbraw/zinc/92/81/89/450928189.db2.gz JYJHFWWPIXNEEX-HNNXBMFYSA-N 2 2 334.464 1.323 20 0 EDADLP COCC[NH+]1CCC(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635425523 450931201 /nfs/dbraw/zinc/93/12/01/450931201.db2.gz NBPOPRKVJCWUTO-ZDUSSCGKSA-N 2 2 348.369 1.604 20 0 EDADLP Cc1cc(C2(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)on1 ZINC000635459536 450958746 /nfs/dbraw/zinc/95/87/46/450958746.db2.gz ZZTNZZPFYHTYEU-UHFFFAOYSA-N 2 2 346.475 1.689 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3COCC[N@H+]3C)CC2)c1 ZINC000624746682 450979187 /nfs/dbraw/zinc/97/91/87/450979187.db2.gz XXOOEGZOEGGJHN-GOSISDBHSA-N 2 2 346.475 1.153 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3COCC[N@@H+]3C)CC2)c1 ZINC000624746682 450979193 /nfs/dbraw/zinc/97/91/93/450979193.db2.gz XXOOEGZOEGGJHN-GOSISDBHSA-N 2 2 346.475 1.153 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501942 450996943 /nfs/dbraw/zinc/99/69/43/450996943.db2.gz VFCKYDSDUGBWOY-RYUDHWBXSA-N 2 2 334.342 1.214 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501942 450996945 /nfs/dbraw/zinc/99/69/45/450996945.db2.gz VFCKYDSDUGBWOY-RYUDHWBXSA-N 2 2 334.342 1.214 20 0 EDADLP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635549339 451044738 /nfs/dbraw/zinc/04/47/38/451044738.db2.gz JCLHKXOYWBNTQZ-HUUCEWRRSA-N 2 2 332.448 1.665 20 0 EDADLP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635549339 451044744 /nfs/dbraw/zinc/04/47/44/451044744.db2.gz JCLHKXOYWBNTQZ-HUUCEWRRSA-N 2 2 332.448 1.665 20 0 EDADLP CN(CCOCC[NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000626926769 451009974 /nfs/dbraw/zinc/00/99/74/451009974.db2.gz DOGNMBSPSCASES-OAHLLOKOSA-N 2 2 349.410 1.265 20 0 EDADLP CN(CCOCC[NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000626927396 451010150 /nfs/dbraw/zinc/01/01/50/451010150.db2.gz MXMIHVLJEDXIJS-OAHLLOKOSA-N 2 2 349.410 1.265 20 0 EDADLP CN(CCOCC[NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000626927535 451010167 /nfs/dbraw/zinc/01/01/67/451010167.db2.gz QSPMBSJKZWDYMA-OAHLLOKOSA-N 2 2 331.420 1.126 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N(C)CCOCC[NH3+])c[nH+]2)CC1 ZINC000626931767 451014082 /nfs/dbraw/zinc/01/40/82/451014082.db2.gz MZJLEPCHOWFIAX-UHFFFAOYSA-N 2 2 349.479 1.435 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCOCC1 ZINC000626932035 451014974 /nfs/dbraw/zinc/01/49/74/451014974.db2.gz QRPLNVAMGZKUMY-UHFFFAOYSA-N 2 2 347.463 1.379 20 0 EDADLP C[C@H]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[NH2+]1 ZINC000626949780 451028986 /nfs/dbraw/zinc/02/89/86/451028986.db2.gz QETSKHPTLRBTKA-JSGCOSHPSA-N 2 2 331.395 1.951 20 0 EDADLP C[NH+](C)CC1(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000635562498 451061540 /nfs/dbraw/zinc/06/15/40/451061540.db2.gz IMHHFMWKVZMCLG-SFHVURJKSA-N 2 2 345.487 1.388 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627069746 451110478 /nfs/dbraw/zinc/11/04/78/451110478.db2.gz RXPONQZLDYYBFR-GJZGRUSLSA-N 2 2 348.495 2.008 20 0 EDADLP Cc1cc(NCCNC(=O)NCC[C@@H]2CC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627074207 451112593 /nfs/dbraw/zinc/11/25/93/451112593.db2.gz SKXXHRROCYKEBR-AWEZNQCLSA-N 2 2 334.468 1.619 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627079928 451114408 /nfs/dbraw/zinc/11/44/08/451114408.db2.gz LMMTYQHJHDWLOD-IRXDYDNUSA-N 2 2 349.479 1.099 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627079928 451114414 /nfs/dbraw/zinc/11/44/14/451114414.db2.gz LMMTYQHJHDWLOD-IRXDYDNUSA-N 2 2 349.479 1.099 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H](C)[NH+](C)C)CC2)cc(OC)c1 ZINC000635643775 451131161 /nfs/dbraw/zinc/13/11/61/451131161.db2.gz MWDLUTWNGABEKG-CQSZACIVSA-N 2 2 335.448 1.298 20 0 EDADLP Cc1cc(NCCNC(=O)N(C)CC(C)(C)C[NH3+])nc(C(C)C)[nH+]1 ZINC000627179060 451168771 /nfs/dbraw/zinc/16/87/71/451168771.db2.gz KEODOUBFBMEQRH-UHFFFAOYSA-N 2 2 336.484 1.947 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C[NH2+]1 ZINC000627198129 451181608 /nfs/dbraw/zinc/18/16/08/451181608.db2.gz RJAAFDLKGQCXIA-UONOGXRCSA-N 2 2 337.493 1.501 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C[NH2+]1 ZINC000627198129 451181613 /nfs/dbraw/zinc/18/16/13/451181613.db2.gz RJAAFDLKGQCXIA-UONOGXRCSA-N 2 2 337.493 1.501 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635764339 451226136 /nfs/dbraw/zinc/22/61/36/451226136.db2.gz GYVXVZOXPOEISJ-HZPDHXFCSA-N 2 2 325.416 1.941 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635764339 451226139 /nfs/dbraw/zinc/22/61/39/451226139.db2.gz GYVXVZOXPOEISJ-HZPDHXFCSA-N 2 2 325.416 1.941 20 0 EDADLP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635784801 451238351 /nfs/dbraw/zinc/23/83/51/451238351.db2.gz HUGUSHXPTGALKC-BRWVUGGUSA-N 2 2 340.427 1.396 20 0 EDADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635784801 451238353 /nfs/dbraw/zinc/23/83/53/451238353.db2.gz HUGUSHXPTGALKC-BRWVUGGUSA-N 2 2 340.427 1.396 20 0 EDADLP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635784801 451238354 /nfs/dbraw/zinc/23/83/54/451238354.db2.gz HUGUSHXPTGALKC-BRWVUGGUSA-N 2 2 340.427 1.396 20 0 EDADLP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635784801 451238356 /nfs/dbraw/zinc/23/83/56/451238356.db2.gz HUGUSHXPTGALKC-BRWVUGGUSA-N 2 2 340.427 1.396 20 0 EDADLP COc1cncc(CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000625261169 451244441 /nfs/dbraw/zinc/24/44/41/451244441.db2.gz WMJSHXPXUPXCAO-UHFFFAOYSA-N 2 2 333.480 1.476 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@H](CO)C[NH+]3CCCC3)CC2)[nH+]c1 ZINC000640322468 451251191 /nfs/dbraw/zinc/25/11/91/451251191.db2.gz FURUESMWPDKCIQ-KRWDZBQOSA-N 2 2 346.475 1.179 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000638099916 451265881 /nfs/dbraw/zinc/26/58/81/451265881.db2.gz KGTMVYZKXUYCMR-UONOGXRCSA-N 2 2 326.448 1.397 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1c[nH+]c(N)nc1N ZINC000638099916 451265885 /nfs/dbraw/zinc/26/58/85/451265885.db2.gz KGTMVYZKXUYCMR-UONOGXRCSA-N 2 2 326.448 1.397 20 0 EDADLP COCC[C@@H]([NH3+])Cc1cn(Cc2cn3cc(Cl)ccc3[nH+]2)nn1 ZINC000630589092 451266684 /nfs/dbraw/zinc/26/66/84/451266684.db2.gz DIHKCRZVROXWSC-GFCCVEGCSA-N 2 2 334.811 1.534 20 0 EDADLP [NH3+][C@@H]1CC=C(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000638113687 451280804 /nfs/dbraw/zinc/28/08/04/451280804.db2.gz UOIIVZYLTNKUKU-QZTJIDSGSA-N 2 2 329.444 1.094 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638121046 451290732 /nfs/dbraw/zinc/29/07/32/451290732.db2.gz CVGQMNXOXMAZTO-HNNXBMFYSA-N 2 2 325.478 1.498 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638121046 451290734 /nfs/dbraw/zinc/29/07/34/451290734.db2.gz CVGQMNXOXMAZTO-HNNXBMFYSA-N 2 2 325.478 1.498 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638137204 451310941 /nfs/dbraw/zinc/31/09/41/451310941.db2.gz GWFLYROVPFKZKH-CRAIPNDOSA-N 2 2 348.491 1.085 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638137204 451310945 /nfs/dbraw/zinc/31/09/45/451310945.db2.gz GWFLYROVPFKZKH-CRAIPNDOSA-N 2 2 348.491 1.085 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638138211 451312339 /nfs/dbraw/zinc/31/23/39/451312339.db2.gz XWYULVCYKLAUAR-GOSISDBHSA-N 2 2 348.491 1.229 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638138211 451312341 /nfs/dbraw/zinc/31/23/41/451312341.db2.gz XWYULVCYKLAUAR-GOSISDBHSA-N 2 2 348.491 1.229 20 0 EDADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC000638222694 451365437 /nfs/dbraw/zinc/36/54/37/451365437.db2.gz PIMZRJUBVCMQSI-KRWDZBQOSA-N 2 2 341.459 1.068 20 0 EDADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC000638222694 451365440 /nfs/dbraw/zinc/36/54/40/451365440.db2.gz PIMZRJUBVCMQSI-KRWDZBQOSA-N 2 2 341.459 1.068 20 0 EDADLP O=C(Cc1cccc2c1CC[NH2+]C2)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000638290039 451406754 /nfs/dbraw/zinc/40/67/54/451406754.db2.gz PBQIAGLUYUKBMT-QGZVFWFLSA-N 2 2 336.439 1.665 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cc(C[NH+](C)C)ccn2)C[C@H](C)O1 ZINC000640569724 451414372 /nfs/dbraw/zinc/41/43/72/451414372.db2.gz UWZJVRTXVABLQV-GASCZTMLSA-N 2 2 349.479 1.716 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cc(C[NH+](C)C)ccn2)C[C@H](C)O1 ZINC000640569724 451414377 /nfs/dbraw/zinc/41/43/77/451414377.db2.gz UWZJVRTXVABLQV-GASCZTMLSA-N 2 2 349.479 1.716 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)CC1(O)CCOCC1 ZINC000634636976 451428692 /nfs/dbraw/zinc/42/86/92/451428692.db2.gz NAAMIHUUCFDLHC-MOPGFXCFSA-N 2 2 348.487 1.706 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)CN3CC[NH2+]CC3)ccc2n1C1CC1 ZINC000638324260 451433428 /nfs/dbraw/zinc/43/34/28/451433428.db2.gz GQFWYJIKSDJPOK-UHFFFAOYSA-N 2 2 341.459 1.455 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640613026 451461479 /nfs/dbraw/zinc/46/14/79/451461479.db2.gz VHJIUILNGVIWSP-CQSZACIVSA-N 2 2 334.468 1.295 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640613026 451461484 /nfs/dbraw/zinc/46/14/84/451461484.db2.gz VHJIUILNGVIWSP-CQSZACIVSA-N 2 2 334.468 1.295 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638370237 451467385 /nfs/dbraw/zinc/46/73/85/451467385.db2.gz ATYFDTQQEJAPEX-BETUJISGSA-N 2 2 329.466 1.385 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638370237 451467387 /nfs/dbraw/zinc/46/73/87/451467387.db2.gz ATYFDTQQEJAPEX-BETUJISGSA-N 2 2 329.466 1.385 20 0 EDADLP [NH3+][C@H]1CC=C(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000638406870 451494680 /nfs/dbraw/zinc/49/46/80/451494680.db2.gz LHVPQGIHQUUKIP-KSZLIROESA-N 2 2 327.428 1.146 20 0 EDADLP [NH3+][C@H]1CC=C(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000638406870 451494684 /nfs/dbraw/zinc/49/46/84/451494684.db2.gz LHVPQGIHQUUKIP-KSZLIROESA-N 2 2 327.428 1.146 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2cccc(OC)c2)CC[N@@H+]1CCOC ZINC000638377965 451474247 /nfs/dbraw/zinc/47/42/47/451474247.db2.gz LBRKEHASAGDKTH-FUHWJXTLSA-N 2 2 349.475 1.654 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2cccc(OC)c2)CC[N@H+]1CCOC ZINC000638377965 451474253 /nfs/dbraw/zinc/47/42/53/451474253.db2.gz LBRKEHASAGDKTH-FUHWJXTLSA-N 2 2 349.475 1.654 20 0 EDADLP C[C@@H](C[NH2+]C[C@H](O)CC1(O)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000634704274 451480978 /nfs/dbraw/zinc/48/09/78/451480978.db2.gz IZSOJMJMQAXTEC-FUHWJXTLSA-N 2 2 336.476 1.389 20 0 EDADLP C[C@@H](C[NH2+]C[C@H](O)CC1(O)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000634704274 451480980 /nfs/dbraw/zinc/48/09/80/451480980.db2.gz IZSOJMJMQAXTEC-FUHWJXTLSA-N 2 2 336.476 1.389 20 0 EDADLP O=C(NC1CC([NH+]2CCOCC2)C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636076129 451491366 /nfs/dbraw/zinc/49/13/66/451491366.db2.gz QPFWDYWNYKHQNT-UHFFFAOYSA-N 2 2 342.399 1.171 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638338128 451441234 /nfs/dbraw/zinc/44/12/34/451441234.db2.gz RUXZABPBOZOHGL-HOTGVXAUSA-N 2 2 337.851 1.409 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638338128 451441238 /nfs/dbraw/zinc/44/12/38/451441238.db2.gz RUXZABPBOZOHGL-HOTGVXAUSA-N 2 2 337.851 1.409 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)CC1(O)CCOCC1 ZINC000634722222 451503362 /nfs/dbraw/zinc/50/33/62/451503362.db2.gz LUFFTGIOXKQLOQ-IAGOWNOFSA-N 2 2 326.481 1.276 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)CC1(O)CCOCC1 ZINC000634722222 451503364 /nfs/dbraw/zinc/50/33/64/451503364.db2.gz LUFFTGIOXKQLOQ-IAGOWNOFSA-N 2 2 326.481 1.276 20 0 EDADLP CCOC1CC(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000638453402 451523623 /nfs/dbraw/zinc/52/36/23/451523623.db2.gz CMZMFMBCHCTMHN-UHFFFAOYSA-N 2 2 346.475 1.525 20 0 EDADLP O[C@@]1(C[N@@H+]2CCO[C@H](C(F)F)CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634759753 451530239 /nfs/dbraw/zinc/53/02/39/451530239.db2.gz PCTSZSLBZBJPJE-FUHWJXTLSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@@]1(C[N@H+]2CCO[C@H](C(F)F)CC2)CC[NH+](Cc2ccccc2)C1 ZINC000634759753 451530244 /nfs/dbraw/zinc/53/02/44/451530244.db2.gz PCTSZSLBZBJPJE-FUHWJXTLSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@@]1(C[NH+]2CCO[C@H](C(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634759753 451530250 /nfs/dbraw/zinc/53/02/50/451530250.db2.gz PCTSZSLBZBJPJE-FUHWJXTLSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@@]1(C[NH+]2CCO[C@H](C(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634759753 451530254 /nfs/dbraw/zinc/53/02/54/451530254.db2.gz PCTSZSLBZBJPJE-FUHWJXTLSA-N 2 2 340.414 1.979 20 0 EDADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638467724 451530862 /nfs/dbraw/zinc/53/08/62/451530862.db2.gz OKMHGULYXNWWPA-JTQLQIEISA-N 2 2 326.242 1.922 20 0 EDADLP Cn1cc(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000631047590 451552647 /nfs/dbraw/zinc/55/26/47/451552647.db2.gz NWXBOHASXMCMLM-UHFFFAOYSA-N 2 2 344.459 1.463 20 0 EDADLP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636171711 451562846 /nfs/dbraw/zinc/56/28/46/451562846.db2.gz PAIOMFKFTVTEFP-BRWVUGGUSA-N 2 2 340.427 1.396 20 0 EDADLP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636171711 451562852 /nfs/dbraw/zinc/56/28/52/451562852.db2.gz PAIOMFKFTVTEFP-BRWVUGGUSA-N 2 2 340.427 1.396 20 0 EDADLP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636171711 451562859 /nfs/dbraw/zinc/56/28/59/451562859.db2.gz PAIOMFKFTVTEFP-BRWVUGGUSA-N 2 2 340.427 1.396 20 0 EDADLP O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636171711 451562865 /nfs/dbraw/zinc/56/28/65/451562865.db2.gz PAIOMFKFTVTEFP-BRWVUGGUSA-N 2 2 340.427 1.396 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)C[C@H]1C[NH3+] ZINC000634811150 451566532 /nfs/dbraw/zinc/56/65/32/451566532.db2.gz VPYWHYFUUXVICC-QXSJWSMHSA-N 2 2 333.480 1.637 20 0 EDADLP C[C@@H]1C[C@H](C)N(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@H]1C[NH3+] ZINC000634811150 451566533 /nfs/dbraw/zinc/56/65/33/451566533.db2.gz VPYWHYFUUXVICC-QXSJWSMHSA-N 2 2 333.480 1.637 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000636872137 451572689 /nfs/dbraw/zinc/57/26/89/451572689.db2.gz DGIQTUUECSZZGY-AWEZNQCLSA-N 2 2 337.493 1.503 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000636872137 451572694 /nfs/dbraw/zinc/57/26/94/451572694.db2.gz DGIQTUUECSZZGY-AWEZNQCLSA-N 2 2 337.493 1.503 20 0 EDADLP Cc1n[nH]c(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC000631106640 451586911 /nfs/dbraw/zinc/58/69/11/451586911.db2.gz URIMUVONMJUUBK-UHFFFAOYSA-N 2 2 345.447 1.156 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)nc(C(C)C)[nH+]1 ZINC000638583730 451589773 /nfs/dbraw/zinc/58/97/73/451589773.db2.gz DLLRNYNUVIGNSG-HUUCEWRRSA-N 2 2 331.464 1.967 20 0 EDADLP O=C1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCN1 ZINC000634950981 451620501 /nfs/dbraw/zinc/62/05/01/451620501.db2.gz JNSLCBTYOPIWFZ-KRWDZBQOSA-N 2 2 330.476 1.457 20 0 EDADLP COc1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000638678362 451647286 /nfs/dbraw/zinc/64/72/86/451647286.db2.gz NCMHAHQLTMJVHE-KRWDZBQOSA-N 2 2 333.457 1.878 20 0 EDADLP Cc1oc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1CO ZINC000631246387 451660930 /nfs/dbraw/zinc/66/09/30/451660930.db2.gz BFELQJPRESRGGD-MRXNPFEDSA-N 2 2 335.448 1.321 20 0 EDADLP Cc1oc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1CO ZINC000631246387 451660933 /nfs/dbraw/zinc/66/09/33/451660933.db2.gz BFELQJPRESRGGD-MRXNPFEDSA-N 2 2 335.448 1.321 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc2ccccn21 ZINC000631275270 451676241 /nfs/dbraw/zinc/67/62/41/451676241.db2.gz CMTNVLIQSRAOQN-UHFFFAOYSA-N 2 2 329.448 1.432 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc2ccccn21 ZINC000631275270 451676244 /nfs/dbraw/zinc/67/62/44/451676244.db2.gz CMTNVLIQSRAOQN-UHFFFAOYSA-N 2 2 329.448 1.432 20 0 EDADLP COC[C@H](C)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCc2ccccc21 ZINC000638778140 451687747 /nfs/dbraw/zinc/68/77/47/451687747.db2.gz ZNMXUSOWYXXSCE-BMGDILEWSA-N 2 2 333.476 1.816 20 0 EDADLP CC1(C)CC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC(C)(C)[NH2+]1 ZINC000638866605 451714566 /nfs/dbraw/zinc/71/45/66/451714566.db2.gz ZBHUAJAXOIULRL-UHFFFAOYSA-N 2 2 331.507 1.794 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638730449 451668884 /nfs/dbraw/zinc/66/88/84/451668884.db2.gz WJYXKZBZCLCTOI-DLBZAZTESA-N 2 2 334.464 1.162 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638730449 451668887 /nfs/dbraw/zinc/66/88/87/451668887.db2.gz WJYXKZBZCLCTOI-DLBZAZTESA-N 2 2 334.464 1.162 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)[NH+]1CCOCC1 ZINC000638966476 451742968 /nfs/dbraw/zinc/74/29/68/451742968.db2.gz AFBQLBAINDAEDN-XIRDDKMYSA-N 2 2 325.497 1.757 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)Nc3cc(N4CC[NH2+]CC4)ccn3)ccn12 ZINC000638985380 451746220 /nfs/dbraw/zinc/74/62/20/451746220.db2.gz FZXJGXURUINKQQ-UHFFFAOYSA-N 2 2 336.399 1.700 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)ccn12 ZINC000638985380 451746222 /nfs/dbraw/zinc/74/62/22/451746222.db2.gz FZXJGXURUINKQQ-UHFFFAOYSA-N 3 2 336.399 1.700 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC[NH2+]1 ZINC000638988761 451748761 /nfs/dbraw/zinc/74/87/61/451748761.db2.gz DGCDMSVMLQRBHG-ZFWWWQNUSA-N 2 2 334.489 1.639 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990156 451748789 /nfs/dbraw/zinc/74/87/89/451748789.db2.gz IXEBAYYTKGFSFF-AWEZNQCLSA-N 2 2 334.489 1.641 20 0 EDADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000638990982 451748846 /nfs/dbraw/zinc/74/88/46/451748846.db2.gz SBQJUJQHRMPSCJ-DZGCQCFKSA-N 2 2 334.489 1.639 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]CC2(S(C)(=O)=O)CCCC2)CC1 ZINC000639164148 451783053 /nfs/dbraw/zinc/78/30/53/451783053.db2.gz NQFJABQWPLSFSQ-UHFFFAOYSA-N 2 2 332.510 1.169 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1c[nH+]c(N)nc1N ZINC000639169489 451783657 /nfs/dbraw/zinc/78/36/57/451783657.db2.gz DQAMKLNLASNPBE-INIZCTEOSA-N 2 2 341.463 1.183 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1c[nH+]c(N)nc1N ZINC000639169489 451783660 /nfs/dbraw/zinc/78/36/60/451783660.db2.gz DQAMKLNLASNPBE-INIZCTEOSA-N 2 2 341.463 1.183 20 0 EDADLP OC[C@H]1[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@H]12 ZINC000639201846 451791025 /nfs/dbraw/zinc/79/10/25/451791025.db2.gz OJCUHOARLHBUAU-BWTSREIZSA-N 2 2 332.444 1.068 20 0 EDADLP OC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)C[C@H]12 ZINC000639201846 451791026 /nfs/dbraw/zinc/79/10/26/451791026.db2.gz OJCUHOARLHBUAU-BWTSREIZSA-N 2 2 332.444 1.068 20 0 EDADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000653285656 451816004 /nfs/dbraw/zinc/81/60/04/451816004.db2.gz UTPYTOOHUJRXRI-SMDDNHRTSA-N 2 2 337.370 1.528 20 0 EDADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)C1 ZINC000653285656 451816009 /nfs/dbraw/zinc/81/60/09/451816009.db2.gz UTPYTOOHUJRXRI-SMDDNHRTSA-N 2 2 337.370 1.528 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641293094 451818307 /nfs/dbraw/zinc/81/83/07/451818307.db2.gz WOQNNILCFSVQOZ-AWEZNQCLSA-N 2 2 328.482 1.313 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641293094 451818310 /nfs/dbraw/zinc/81/83/10/451818310.db2.gz WOQNNILCFSVQOZ-AWEZNQCLSA-N 2 2 328.482 1.313 20 0 EDADLP CCCOc1ccc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000644554085 451856983 /nfs/dbraw/zinc/85/69/83/451856983.db2.gz PEQFSBKJMUUCDX-UXLLHSPISA-N 2 2 337.464 1.430 20 0 EDADLP CCCOc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000644554085 451856986 /nfs/dbraw/zinc/85/69/86/451856986.db2.gz PEQFSBKJMUUCDX-UXLLHSPISA-N 2 2 337.464 1.430 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 ZINC000644556830 451857911 /nfs/dbraw/zinc/85/79/11/451857911.db2.gz CZUFVOHNSLHULH-WCXIOVBPSA-N 2 2 334.460 1.612 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCCNC3=O)c2cc1C ZINC000644555710 451858268 /nfs/dbraw/zinc/85/82/68/451858268.db2.gz NTGOFQMRSLBZGZ-HUUCEWRRSA-N 2 2 330.432 1.130 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000649209204 451905877 /nfs/dbraw/zinc/90/58/77/451905877.db2.gz GVZFAFJJJWSECD-NVXWUHKLSA-N 2 2 332.448 1.159 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccc(F)cc1 ZINC000649282265 451953867 /nfs/dbraw/zinc/95/38/67/451953867.db2.gz PXAWCIPFFMKIRC-HIFRSBDPSA-N 2 2 332.379 1.001 20 0 EDADLP COCCC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[NH2+]CC1 ZINC000649284844 451958039 /nfs/dbraw/zinc/95/80/39/451958039.db2.gz FQOMPQFQSLRUII-UHFFFAOYSA-N 2 2 346.475 1.704 20 0 EDADLP CN(C)c1nc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]c2ccccc21 ZINC000649304518 451982066 /nfs/dbraw/zinc/98/20/66/451982066.db2.gz FZLJKWKZNAJVQJ-HNNXBMFYSA-N 2 2 341.459 1.783 20 0 EDADLP OC[C@H]1C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCC1(F)F ZINC000639651167 451999680 /nfs/dbraw/zinc/99/96/80/451999680.db2.gz POCURFCMNVLPCL-IAGOWNOFSA-N 2 2 340.414 1.573 20 0 EDADLP OC[C@H]1C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CCC1(F)F ZINC000639651167 451999688 /nfs/dbraw/zinc/99/96/88/451999688.db2.gz POCURFCMNVLPCL-IAGOWNOFSA-N 2 2 340.414 1.573 20 0 EDADLP OC[C@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639651167 451999695 /nfs/dbraw/zinc/99/96/95/451999695.db2.gz POCURFCMNVLPCL-IAGOWNOFSA-N 2 2 340.414 1.573 20 0 EDADLP OC[C@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639651167 451999700 /nfs/dbraw/zinc/99/97/00/451999700.db2.gz POCURFCMNVLPCL-IAGOWNOFSA-N 2 2 340.414 1.573 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649330500 452011438 /nfs/dbraw/zinc/01/14/38/452011438.db2.gz CRNDEMUVDHRLSJ-FJZAXULXSA-N 2 2 335.398 1.511 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649330500 452011443 /nfs/dbraw/zinc/01/14/43/452011443.db2.gz CRNDEMUVDHRLSJ-FJZAXULXSA-N 2 2 335.398 1.511 20 0 EDADLP CNC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639676843 452016897 /nfs/dbraw/zinc/01/68/97/452016897.db2.gz AEGRQDNHYPGDHN-IBGZPJMESA-N 2 2 346.475 1.017 20 0 EDADLP CNC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639676843 452016902 /nfs/dbraw/zinc/01/69/02/452016902.db2.gz AEGRQDNHYPGDHN-IBGZPJMESA-N 2 2 346.475 1.017 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)o1 ZINC000649346005 452028402 /nfs/dbraw/zinc/02/84/02/452028402.db2.gz VPVSLQOACPHMOJ-CABCVRRESA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)o1 ZINC000649346005 452028411 /nfs/dbraw/zinc/02/84/11/452028411.db2.gz VPVSLQOACPHMOJ-CABCVRRESA-N 2 2 334.464 1.973 20 0 EDADLP O[C@]1(C[N@@H+]2CCO[C@]3(CCSC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639692096 452029471 /nfs/dbraw/zinc/02/94/71/452029471.db2.gz BZGOORXCHWPPIR-RTBURBONSA-N 2 2 348.512 1.831 20 0 EDADLP O[C@]1(C[N@H+]2CCO[C@]3(CCSC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639692096 452029479 /nfs/dbraw/zinc/02/94/79/452029479.db2.gz BZGOORXCHWPPIR-RTBURBONSA-N 2 2 348.512 1.831 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@]3(CCSC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639692096 452029485 /nfs/dbraw/zinc/02/94/85/452029485.db2.gz BZGOORXCHWPPIR-RTBURBONSA-N 2 2 348.512 1.831 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@]3(CCSC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639692096 452029491 /nfs/dbraw/zinc/02/94/91/452029491.db2.gz BZGOORXCHWPPIR-RTBURBONSA-N 2 2 348.512 1.831 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000644858422 452032167 /nfs/dbraw/zinc/03/21/67/452032167.db2.gz KEIAEQOPJVWMII-NVXWUHKLSA-N 2 2 342.443 1.457 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000653606636 452038084 /nfs/dbraw/zinc/03/80/84/452038084.db2.gz VYUHORIHTRDYPV-BEFAXECRSA-N 3 2 346.475 1.770 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000653606636 452038090 /nfs/dbraw/zinc/03/80/90/452038090.db2.gz VYUHORIHTRDYPV-BEFAXECRSA-N 3 2 346.475 1.770 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(F)F ZINC000647071537 452042583 /nfs/dbraw/zinc/04/25/83/452042583.db2.gz KGDPBYVYJBZYRC-CQSZACIVSA-N 2 2 327.375 1.231 20 0 EDADLP CC(C)(C)[C@H](O)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649366670 452044878 /nfs/dbraw/zinc/04/48/78/452044878.db2.gz NAVOYLDJFKYVTF-DLBZAZTESA-N 2 2 344.459 1.324 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000653638686 452054510 /nfs/dbraw/zinc/05/45/10/452054510.db2.gz MJANJKGVGUVVOX-KRWDZBQOSA-N 2 2 328.460 1.851 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN1CCc2c([nH+]cn2-c2ccc(C)cc2)C1 ZINC000653638686 452054515 /nfs/dbraw/zinc/05/45/15/452054515.db2.gz MJANJKGVGUVVOX-KRWDZBQOSA-N 2 2 328.460 1.851 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)COC3CCC([NH3+])CC3)cn21 ZINC000647098607 452059909 /nfs/dbraw/zinc/05/99/09/452059909.db2.gz VPMDRRJTVICSNY-UHFFFAOYSA-N 2 2 330.432 1.588 20 0 EDADLP O=C(CN1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000649419493 452081737 /nfs/dbraw/zinc/08/17/37/452081737.db2.gz RZQDISXTBBUAEL-WBVHZDCISA-N 2 2 348.516 1.076 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000639760763 452100040 /nfs/dbraw/zinc/10/00/40/452100040.db2.gz CRSLFSGCASYNQT-PKOBYXMFSA-N 2 2 331.460 1.571 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000639760763 452100045 /nfs/dbraw/zinc/10/00/45/452100045.db2.gz CRSLFSGCASYNQT-PKOBYXMFSA-N 2 2 331.460 1.571 20 0 EDADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762459 452100506 /nfs/dbraw/zinc/10/05/06/452100506.db2.gz MHRJMHUIKPWPDO-AZUAARDMSA-N 2 2 347.503 1.985 20 0 EDADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762459 452100511 /nfs/dbraw/zinc/10/05/11/452100511.db2.gz MHRJMHUIKPWPDO-AZUAARDMSA-N 2 2 347.503 1.985 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762514 452101826 /nfs/dbraw/zinc/10/18/26/452101826.db2.gz MVMKZSIGKLKDBP-NLEPDTAZSA-N 2 2 339.524 1.704 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762514 452101833 /nfs/dbraw/zinc/10/18/33/452101833.db2.gz MVMKZSIGKLKDBP-NLEPDTAZSA-N 2 2 339.524 1.704 20 0 EDADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765988 452106271 /nfs/dbraw/zinc/10/62/71/452106271.db2.gz MJESMIWHXNNRPL-HLIPFELVSA-N 2 2 347.503 1.683 20 0 EDADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765988 452106279 /nfs/dbraw/zinc/10/62/79/452106279.db2.gz MJESMIWHXNNRPL-HLIPFELVSA-N 2 2 347.503 1.683 20 0 EDADLP CO[C@@]1(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCOC1 ZINC000637878822 452131098 /nfs/dbraw/zinc/13/10/98/452131098.db2.gz KKHILECLRIESDF-GOSISDBHSA-N 2 2 334.464 1.836 20 0 EDADLP O=S1(=O)C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)Oc2ccccc21 ZINC000647223623 452134745 /nfs/dbraw/zinc/13/47/45/452134745.db2.gz HAVTXOMGSNDFGG-KKUMJFAQSA-N 2 2 336.457 1.438 20 0 EDADLP O=S1(=O)C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)Oc2ccccc21 ZINC000647223623 452134748 /nfs/dbraw/zinc/13/47/48/452134748.db2.gz HAVTXOMGSNDFGG-KKUMJFAQSA-N 2 2 336.457 1.438 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000653873403 452156067 /nfs/dbraw/zinc/15/60/67/452156067.db2.gz LFBKHFLIIMTXED-FGTMMUONSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000653873403 452156073 /nfs/dbraw/zinc/15/60/73/452156073.db2.gz LFBKHFLIIMTXED-FGTMMUONSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000653873403 452156078 /nfs/dbraw/zinc/15/60/78/452156078.db2.gz LFBKHFLIIMTXED-FGTMMUONSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000653873403 452156085 /nfs/dbraw/zinc/15/60/85/452156085.db2.gz LFBKHFLIIMTXED-FGTMMUONSA-N 2 2 344.459 1.025 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000643398339 452180659 /nfs/dbraw/zinc/18/06/59/452180659.db2.gz LBLNHTCWPMCVHS-MRXNPFEDSA-N 2 2 332.448 1.305 20 0 EDADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)[C@@]1(O)CCOC1 ZINC000647339813 452183027 /nfs/dbraw/zinc/18/30/27/452183027.db2.gz AXRKVDTVFIIOIL-LJQANCHMSA-N 2 2 333.476 1.813 20 0 EDADLP C[NH+](C)CCN1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1=O ZINC000649688940 452199939 /nfs/dbraw/zinc/19/99/39/452199939.db2.gz TVGNXXDOKTUYCG-UHFFFAOYSA-N 2 2 335.839 1.194 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654059400 452227926 /nfs/dbraw/zinc/22/79/26/452227926.db2.gz QVXWMAVVINFXSK-MELADBBJSA-N 2 2 331.420 1.954 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654059400 452227931 /nfs/dbraw/zinc/22/79/31/452227931.db2.gz QVXWMAVVINFXSK-MELADBBJSA-N 2 2 331.420 1.954 20 0 EDADLP CCn1cnnc1CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000643464804 452235201 /nfs/dbraw/zinc/23/52/01/452235201.db2.gz VOKGYMAFSYWGPM-WMZOPIPTSA-N 2 2 329.448 1.932 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000643463825 452235298 /nfs/dbraw/zinc/23/52/98/452235298.db2.gz AZIDREOSHYNYRD-KZNAEPCWSA-N 2 2 334.460 1.400 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000641771870 452245805 /nfs/dbraw/zinc/24/58/05/452245805.db2.gz LKUKMVYCMMLEPN-CQSZACIVSA-N 2 2 342.509 1.162 20 0 EDADLP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000641785961 452256178 /nfs/dbraw/zinc/25/61/78/452256178.db2.gz MWSKVJLGEHWYEQ-OKZBNKHCSA-N 2 2 325.497 1.330 20 0 EDADLP Cn1c2ccccc2cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1=O ZINC000643490591 452260414 /nfs/dbraw/zinc/26/04/14/452260414.db2.gz ZQNQIFZYZQRWJR-QZTJIDSGSA-N 2 2 327.428 1.395 20 0 EDADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000641788023 452262212 /nfs/dbraw/zinc/26/22/12/452262212.db2.gz XGMOZWMADRLMPP-OTWHNJEPSA-N 2 2 339.524 1.576 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cn21 ZINC000645285515 452263122 /nfs/dbraw/zinc/26/31/22/452263122.db2.gz SMMQOCFKIFIXIF-GDBMZVCRSA-N 2 2 345.447 1.204 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cn21 ZINC000645285515 452263129 /nfs/dbraw/zinc/26/31/29/452263129.db2.gz SMMQOCFKIFIXIF-GDBMZVCRSA-N 2 2 345.447 1.204 20 0 EDADLP c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788314 452263714 /nfs/dbraw/zinc/26/37/14/452263714.db2.gz YARSOBBPLXBAFG-RTBURBONSA-N 2 2 344.503 1.845 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000659427216 452269153 /nfs/dbraw/zinc/26/91/53/452269153.db2.gz CDWRTBZDBPCIOP-IRXDYDNUSA-N 2 2 343.431 1.337 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)c3conc3C(C)(C)[NH3+])cn21 ZINC000655482794 452280286 /nfs/dbraw/zinc/28/02/86/452280286.db2.gz MKIAFCUVRRTENE-UHFFFAOYSA-N 2 2 327.388 1.797 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](C4CCC4)C3)C2)CC1 ZINC000665717682 452282706 /nfs/dbraw/zinc/28/27/06/452282706.db2.gz SSJLIODEIRCPML-DLBZAZTESA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](C4CCC4)C3)C2)CC1 ZINC000665717682 452282716 /nfs/dbraw/zinc/28/27/16/452282716.db2.gz SSJLIODEIRCPML-DLBZAZTESA-N 2 2 334.508 1.987 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000638035728 452291027 /nfs/dbraw/zinc/29/10/27/452291027.db2.gz UEOQNHNCAMEBSS-QGZVFWFLSA-N 2 2 346.475 1.455 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cc3c(c[nH+]2)OCCO3)CC1 ZINC000638035728 452291034 /nfs/dbraw/zinc/29/10/34/452291034.db2.gz UEOQNHNCAMEBSS-QGZVFWFLSA-N 2 2 346.475 1.455 20 0 EDADLP CCO[C@@H]1CN(C(=O)NCCn2c(C)[nH+]c3ccccc32)C[C@H]1C[NH3+] ZINC000652120640 452317607 /nfs/dbraw/zinc/31/76/07/452317607.db2.gz CKZFDZTWYBLPSP-RHSMWYFYSA-N 2 2 345.447 1.350 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661513103 452320697 /nfs/dbraw/zinc/32/06/97/452320697.db2.gz MDOINYOWRJNEBQ-OWCLPIDISA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661513103 452320706 /nfs/dbraw/zinc/32/07/06/452320706.db2.gz MDOINYOWRJNEBQ-OWCLPIDISA-N 2 2 338.496 1.364 20 0 EDADLP [NH3+]C1(CC(=O)NCCn2cc[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000638052088 452328568 /nfs/dbraw/zinc/32/85/68/452328568.db2.gz WQDGAFGGUZDKBU-UHFFFAOYSA-N 3 2 341.459 1.383 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC/C=C\C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000641865191 452332069 /nfs/dbraw/zinc/33/20/69/452332069.db2.gz RIAAVZCZQAMKGJ-PLNGDYQASA-N 2 2 332.452 1.255 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCN(C(C)(C)C)C3)cn2)CC1 ZINC000657562309 452336504 /nfs/dbraw/zinc/33/65/04/452336504.db2.gz MWQLAOYXEYEUCH-INIZCTEOSA-N 2 2 332.496 1.191 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000638063659 452361469 /nfs/dbraw/zinc/36/14/69/452361469.db2.gz OEDVPIHHZZVCMA-QFBILLFUSA-N 2 2 346.475 1.701 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)c[nH+]1 ZINC000638070112 452378100 /nfs/dbraw/zinc/37/81/00/452378100.db2.gz UNGCJCCHXOGAFV-KRWDZBQOSA-N 2 2 341.459 1.223 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)c[nH+]1 ZINC000638070112 452378111 /nfs/dbraw/zinc/37/81/11/452378111.db2.gz UNGCJCCHXOGAFV-KRWDZBQOSA-N 2 2 341.459 1.223 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000638073330 452383123 /nfs/dbraw/zinc/38/31/23/452383123.db2.gz SPYRFJUJVVKUMQ-KRWDZBQOSA-N 2 2 348.491 1.814 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCCn1cc[nH+]c1 ZINC000638074497 452387263 /nfs/dbraw/zinc/38/72/63/452387263.db2.gz CFGJWFSXKRHMHO-KRWDZBQOSA-N 2 2 329.448 1.239 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCCn1cc[nH+]c1 ZINC000638074497 452387272 /nfs/dbraw/zinc/38/72/72/452387272.db2.gz CFGJWFSXKRHMHO-KRWDZBQOSA-N 2 2 329.448 1.239 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652194567 452391572 /nfs/dbraw/zinc/39/15/72/452391572.db2.gz UOGHYJVNRBRADF-YSVLISHTSA-N 2 2 348.447 1.518 20 0 EDADLP COc1cc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)ccc1Cl ZINC000640051583 452393597 /nfs/dbraw/zinc/39/35/97/452393597.db2.gz QYFYEQRADGCRID-UHFFFAOYSA-N 2 2 325.840 1.554 20 0 EDADLP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)ccc1Cl ZINC000640051583 452393608 /nfs/dbraw/zinc/39/36/08/452393608.db2.gz QYFYEQRADGCRID-UHFFFAOYSA-N 2 2 325.840 1.554 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C)(F)CC2)C1 ZINC000640068986 452407772 /nfs/dbraw/zinc/40/77/72/452407772.db2.gz AKDDNKWPSSYCEB-OAHLLOKOSA-N 2 2 329.460 1.283 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C)(F)CC2)C1 ZINC000640068986 452407780 /nfs/dbraw/zinc/40/77/80/452407780.db2.gz AKDDNKWPSSYCEB-OAHLLOKOSA-N 2 2 329.460 1.283 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)c1[nH+]ccn1C ZINC000659558056 452414861 /nfs/dbraw/zinc/41/48/61/452414861.db2.gz WOFYGIOCJSFNMK-NSVFZLEXSA-N 2 2 331.464 1.934 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)cc2[nH+]1 ZINC000657670416 452432172 /nfs/dbraw/zinc/43/21/72/452432172.db2.gz UYFAFSXZLMNVKA-OAHLLOKOSA-N 2 2 343.431 1.380 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)cc2[nH+]1 ZINC000657670416 452432180 /nfs/dbraw/zinc/43/21/80/452432180.db2.gz UYFAFSXZLMNVKA-OAHLLOKOSA-N 2 2 343.431 1.380 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1COc2ccccc2C1 ZINC000663714153 452450460 /nfs/dbraw/zinc/45/04/60/452450460.db2.gz OMMRJRYQIVFFTQ-MRXNPFEDSA-N 2 2 334.464 1.173 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1COc2ccccc2C1 ZINC000663714153 452450465 /nfs/dbraw/zinc/45/04/65/452450465.db2.gz OMMRJRYQIVFFTQ-MRXNPFEDSA-N 2 2 334.464 1.173 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)C[NH+]1CCCC1 ZINC000663736985 452470419 /nfs/dbraw/zinc/47/04/19/452470419.db2.gz QGQDBSYYZPGOIV-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)C[NH+]1CCCC1 ZINC000663736985 452470428 /nfs/dbraw/zinc/47/04/28/452470428.db2.gz QGQDBSYYZPGOIV-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654426210 452481126 /nfs/dbraw/zinc/48/11/26/452481126.db2.gz IJDZELVTEDLFRO-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654426210 452481132 /nfs/dbraw/zinc/48/11/32/452481132.db2.gz IJDZELVTEDLFRO-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654426210 452481136 /nfs/dbraw/zinc/48/11/36/452481136.db2.gz IJDZELVTEDLFRO-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654426210 452481142 /nfs/dbraw/zinc/48/11/42/452481142.db2.gz IJDZELVTEDLFRO-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NC[C@@H]1COc3ccccc3O1)C2 ZINC000652350894 452528493 /nfs/dbraw/zinc/52/84/93/452528493.db2.gz SMYILIXDVHKZEQ-KHYOSLBOSA-N 2 2 345.443 1.003 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC[C@@H]1COc3ccccc3O1)C2 ZINC000652350894 452528501 /nfs/dbraw/zinc/52/85/01/452528501.db2.gz SMYILIXDVHKZEQ-KHYOSLBOSA-N 2 2 345.443 1.003 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351393 452529997 /nfs/dbraw/zinc/52/99/97/452529997.db2.gz VQADOJBYYOONGM-KXBFYZLASA-N 2 2 344.459 1.436 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652351393 452530002 /nfs/dbraw/zinc/53/00/02/452530002.db2.gz VQADOJBYYOONGM-KXBFYZLASA-N 2 2 344.459 1.436 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C[C@H]1C[NH3+] ZINC000652357216 452533543 /nfs/dbraw/zinc/53/35/43/452533543.db2.gz BXEBVWKSRBJOPI-YFHUEUNASA-N 2 2 333.476 1.856 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C[C@H]1C[NH3+] ZINC000652357216 452533557 /nfs/dbraw/zinc/53/35/57/452533557.db2.gz BXEBVWKSRBJOPI-YFHUEUNASA-N 2 2 333.476 1.856 20 0 EDADLP COc1ccccc1[C@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655729225 452542523 /nfs/dbraw/zinc/54/25/23/452542523.db2.gz DWAAEEQNKUSOOK-AEFFLSMTSA-N 2 2 334.460 1.962 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814605 452543117 /nfs/dbraw/zinc/54/31/17/452543117.db2.gz VRIUSRWEUDFFTN-UHFFFAOYSA-N 2 2 344.459 1.591 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647814605 452543126 /nfs/dbraw/zinc/54/31/26/452543126.db2.gz VRIUSRWEUDFFTN-UHFFFAOYSA-N 2 2 344.459 1.591 20 0 EDADLP CS(=O)(=O)c1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)co2)cc1 ZINC000647812162 452544399 /nfs/dbraw/zinc/54/43/99/452544399.db2.gz BFTUUECHKDSKSX-UHFFFAOYSA-N 2 2 349.456 1.916 20 0 EDADLP C[C@@H](O)[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000657819222 452549321 /nfs/dbraw/zinc/54/93/21/452549321.db2.gz SMBQUOVLUNYBRI-CRAIPNDOSA-N 2 2 341.459 1.440 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657854517 452570547 /nfs/dbraw/zinc/57/05/47/452570547.db2.gz VJDHVLDEQFONHY-MRXNPFEDSA-N 2 2 326.448 1.655 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])c1 ZINC000647849018 452582699 /nfs/dbraw/zinc/58/26/99/452582699.db2.gz DVBVBSLCPMFERH-CQSZACIVSA-N 2 2 334.464 1.776 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])c1 ZINC000647849018 452582706 /nfs/dbraw/zinc/58/27/06/452582706.db2.gz DVBVBSLCPMFERH-CQSZACIVSA-N 2 2 334.464 1.776 20 0 EDADLP C[C@@H](Cc1ccccn1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000654509136 452582758 /nfs/dbraw/zinc/58/27/58/452582758.db2.gz RDKTVQJXLHYPIY-HNNXBMFYSA-N 2 2 333.480 1.338 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)cc2[nH+]1 ZINC000657881794 452590361 /nfs/dbraw/zinc/59/03/61/452590361.db2.gz VSFGKDFOYFOXNG-OAHLLOKOSA-N 2 2 343.431 1.570 20 0 EDADLP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647862252 452596723 /nfs/dbraw/zinc/59/67/23/452596723.db2.gz OEVHQKOUXAOYMT-IAQYHMDHSA-N 2 2 341.839 1.725 20 0 EDADLP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647862252 452596735 /nfs/dbraw/zinc/59/67/35/452596735.db2.gz OEVHQKOUXAOYMT-IAQYHMDHSA-N 2 2 341.839 1.725 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925797 452663304 /nfs/dbraw/zinc/66/33/04/452663304.db2.gz YBMPSRPGXZDYLG-AWEZNQCLSA-N 2 2 344.459 1.954 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000647925653 452664300 /nfs/dbraw/zinc/66/43/00/452664300.db2.gz RQTHTNJYSPJEFC-UHFFFAOYSA-N 2 2 326.444 1.866 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583238 452668529 /nfs/dbraw/zinc/66/85/29/452668529.db2.gz LCKGMSWZOXUCTR-BYNSBNAKSA-N 2 2 337.468 1.761 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583238 452668534 /nfs/dbraw/zinc/66/85/34/452668534.db2.gz LCKGMSWZOXUCTR-BYNSBNAKSA-N 2 2 337.468 1.761 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCCOC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647937099 452678701 /nfs/dbraw/zinc/67/87/01/452678701.db2.gz QSHANEPQLKKGPH-RDJZCZTQSA-N 2 2 325.497 1.901 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCCOC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647937099 452678709 /nfs/dbraw/zinc/67/87/09/452678709.db2.gz QSHANEPQLKKGPH-RDJZCZTQSA-N 2 2 325.497 1.901 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000647938349 452680057 /nfs/dbraw/zinc/68/00/57/452680057.db2.gz KKHSOGMXVHHIGE-CJNGLKHVSA-N 2 2 332.448 1.434 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)c1 ZINC000647938349 452680061 /nfs/dbraw/zinc/68/00/61/452680061.db2.gz KKHSOGMXVHHIGE-CJNGLKHVSA-N 2 2 332.448 1.434 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[NH+](CCOc3ccccc3)CC2)C[C@@H](C)O1 ZINC000659828519 452717262 /nfs/dbraw/zinc/71/72/62/452717262.db2.gz FDXNXRDUVYTCAC-RTBURBONSA-N 2 2 347.503 1.792 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2cc(F)ccc2F)CC12CCOCC2 ZINC000647985499 452729521 /nfs/dbraw/zinc/72/95/21/452729521.db2.gz JHALDCXAELCMHM-LBPRGKRZSA-N 2 2 339.386 1.591 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2cc(F)ccc2F)CC12CCOCC2 ZINC000647985499 452729528 /nfs/dbraw/zinc/72/95/28/452729528.db2.gz JHALDCXAELCMHM-LBPRGKRZSA-N 2 2 339.386 1.591 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000658127623 452741616 /nfs/dbraw/zinc/74/16/16/452741616.db2.gz NUDZKOOVRPWZHW-CYBMUJFWSA-N 2 2 329.404 1.262 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000658127623 452741625 /nfs/dbraw/zinc/74/16/25/452741625.db2.gz NUDZKOOVRPWZHW-CYBMUJFWSA-N 2 2 329.404 1.262 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000658139084 452746141 /nfs/dbraw/zinc/74/61/41/452746141.db2.gz KRYDLRYQTXCSSY-XPGWFJOJSA-N 3 2 329.488 1.826 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139084 452746151 /nfs/dbraw/zinc/74/61/51/452746151.db2.gz KRYDLRYQTXCSSY-XPGWFJOJSA-N 3 2 329.488 1.826 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139084 452746163 /nfs/dbraw/zinc/74/61/63/452746163.db2.gz KRYDLRYQTXCSSY-XPGWFJOJSA-N 3 2 329.488 1.826 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662039298 452795165 /nfs/dbraw/zinc/79/51/65/452795165.db2.gz OUKUGYMTCDQVPI-RBUKOAKNSA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2COC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662039298 452795168 /nfs/dbraw/zinc/79/51/68/452795168.db2.gz OUKUGYMTCDQVPI-RBUKOAKNSA-N 2 2 343.471 1.299 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NCC1CC[NH+](C2CCOCC2)CC1 ZINC000664151323 452825689 /nfs/dbraw/zinc/82/56/89/452825689.db2.gz QVRSLKBBVRDYQK-UHFFFAOYSA-N 2 2 330.436 1.666 20 0 EDADLP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000658296334 452836342 /nfs/dbraw/zinc/83/63/42/452836342.db2.gz RQSHRSCLEISMMO-DLBZAZTESA-N 2 2 332.444 1.842 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659951515 452846100 /nfs/dbraw/zinc/84/61/00/452846100.db2.gz YKNSKNYOLJPRRQ-KURKYZTESA-N 2 2 332.492 1.869 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000648164729 452876124 /nfs/dbraw/zinc/87/61/24/452876124.db2.gz PUTWGUMNGKUWQQ-QGZVFWFLSA-N 2 2 346.475 1.663 20 0 EDADLP CCO[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000664215056 452888807 /nfs/dbraw/zinc/88/88/07/452888807.db2.gz HTGPVVRQTKPRMX-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CCO[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000664215056 452888812 /nfs/dbraw/zinc/88/88/12/452888812.db2.gz HTGPVVRQTKPRMX-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C1 ZINC000662154843 452891367 /nfs/dbraw/zinc/89/13/67/452891367.db2.gz HDJPRSJVMTWUCC-IBGZPJMESA-N 2 2 326.444 1.903 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C1 ZINC000662154843 452891375 /nfs/dbraw/zinc/89/13/75/452891375.db2.gz HDJPRSJVMTWUCC-IBGZPJMESA-N 2 2 326.444 1.903 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C1 ZINC000662154843 452891381 /nfs/dbraw/zinc/89/13/81/452891381.db2.gz HDJPRSJVMTWUCC-IBGZPJMESA-N 3 2 326.444 1.903 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C1 ZINC000662154843 452891391 /nfs/dbraw/zinc/89/13/91/452891391.db2.gz HDJPRSJVMTWUCC-IBGZPJMESA-N 3 2 326.444 1.903 20 0 EDADLP COc1c(C)[nH+]cnc1NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000656139673 452894392 /nfs/dbraw/zinc/89/43/92/452894392.db2.gz YAIBJMNHZYTYEE-UHFFFAOYSA-N 2 2 349.479 1.832 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654774010 452906090 /nfs/dbraw/zinc/90/60/90/452906090.db2.gz RBMIQSZFXCWTTA-RHSMWYFYSA-N 3 2 333.480 1.215 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654774010 452906098 /nfs/dbraw/zinc/90/60/98/452906098.db2.gz RBMIQSZFXCWTTA-RHSMWYFYSA-N 3 2 333.480 1.215 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000664252318 452933421 /nfs/dbraw/zinc/93/34/21/452933421.db2.gz MCHBUIPJCYAECW-QGZVFWFLSA-N 2 2 341.459 1.907 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000645977528 452962738 /nfs/dbraw/zinc/96/27/38/452962738.db2.gz FMKUEVUGMFROGI-JQHSSLGASA-N 3 2 336.524 1.569 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000645977528 452962748 /nfs/dbraw/zinc/96/27/48/452962748.db2.gz FMKUEVUGMFROGI-JQHSSLGASA-N 3 2 336.524 1.569 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977880 452965999 /nfs/dbraw/zinc/96/59/99/452965999.db2.gz MIYIOTVAGMHEMP-MJGOQNOKSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977880 452966010 /nfs/dbraw/zinc/96/60/10/452966010.db2.gz MIYIOTVAGMHEMP-MJGOQNOKSA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)CC1 ZINC000645978152 452966238 /nfs/dbraw/zinc/96/62/38/452966238.db2.gz VMWRCWPZNCELMR-UIEBLEIFSA-N 3 2 348.535 1.425 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)CC1 ZINC000645978152 452966248 /nfs/dbraw/zinc/96/62/48/452966248.db2.gz VMWRCWPZNCELMR-UIEBLEIFSA-N 3 2 348.535 1.425 20 0 EDADLP Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662249566 452976035 /nfs/dbraw/zinc/97/60/35/452976035.db2.gz XDGQZFQUVLENBE-KRWDZBQOSA-N 2 2 329.444 1.274 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255062 452983080 /nfs/dbraw/zinc/98/30/80/452983080.db2.gz WBSQHBBDPCHEGD-SJLPKXTDSA-N 2 2 346.475 1.817 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255062 452983088 /nfs/dbraw/zinc/98/30/88/452983088.db2.gz WBSQHBBDPCHEGD-SJLPKXTDSA-N 2 2 346.475 1.817 20 0 EDADLP CC(C)CO[C@@H](C)c1noc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662257754 452985014 /nfs/dbraw/zinc/98/50/14/452985014.db2.gz GEPQUOZKNUJYIN-KBPBESRZSA-N 2 2 338.452 1.756 20 0 EDADLP CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662257754 452985021 /nfs/dbraw/zinc/98/50/21/452985021.db2.gz GEPQUOZKNUJYIN-KBPBESRZSA-N 2 2 338.452 1.756 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CN1C1CCCCC1 ZINC000656256003 452992844 /nfs/dbraw/zinc/99/28/44/452992844.db2.gz OTAUYUNVXSLVKI-FUHWJXTLSA-N 2 2 335.492 1.763 20 0 EDADLP O=C1[C@H]([NH2+]C2(CO)CC[NH2+]CC2)CCN1c1ccc(Cl)c(F)c1 ZINC000662284198 453007305 /nfs/dbraw/zinc/00/73/05/453007305.db2.gz MAUJQJXHHNSMKV-CQSZACIVSA-N 2 2 341.814 1.289 20 0 EDADLP c1ccc(Cn2nnnc2C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291894 453014553 /nfs/dbraw/zinc/01/45/53/453014553.db2.gz YWRKZLCJRHBXGV-SFHVURJKSA-N 2 2 340.475 1.933 20 0 EDADLP CCn1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000648337361 453015034 /nfs/dbraw/zinc/01/50/34/453015034.db2.gz BIGTVGOPBLEZSV-XYPWUTKMSA-N 2 2 331.464 1.286 20 0 EDADLP CCn1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000648337361 453015041 /nfs/dbraw/zinc/01/50/41/453015041.db2.gz BIGTVGOPBLEZSV-XYPWUTKMSA-N 2 2 331.464 1.286 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000656300638 453033488 /nfs/dbraw/zinc/03/34/88/453033488.db2.gz SDPRLDHGFPTYOM-UHFFFAOYSA-N 2 2 349.479 1.112 20 0 EDADLP Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662320357 453037543 /nfs/dbraw/zinc/03/75/43/453037543.db2.gz BJMZPMACMNIXPG-GOSISDBHSA-N 2 2 333.476 1.654 20 0 EDADLP Cc1cccc(CNC(=O)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662320357 453037551 /nfs/dbraw/zinc/03/75/51/453037551.db2.gz BJMZPMACMNIXPG-GOSISDBHSA-N 2 2 333.476 1.654 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000654924272 453038656 /nfs/dbraw/zinc/03/86/56/453038656.db2.gz PMRZIVFIVKGUAJ-XYPHTWIQSA-N 2 2 334.464 1.472 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000654924272 453038666 /nfs/dbraw/zinc/03/86/66/453038666.db2.gz PMRZIVFIVKGUAJ-XYPHTWIQSA-N 2 2 334.464 1.472 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)CCO1 ZINC000662322203 453041414 /nfs/dbraw/zinc/04/14/14/453041414.db2.gz RHIVLWXDAUUDBP-MRXNPFEDSA-N 2 2 330.432 1.237 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)CCO1 ZINC000662322203 453041423 /nfs/dbraw/zinc/04/14/23/453041423.db2.gz RHIVLWXDAUUDBP-MRXNPFEDSA-N 2 2 330.432 1.237 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652891206 453062647 /nfs/dbraw/zinc/06/26/47/453062647.db2.gz FETSQKIMIPTRCN-OAHLLOKOSA-N 2 2 328.416 1.012 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652891206 453062652 /nfs/dbraw/zinc/06/26/52/453062652.db2.gz FETSQKIMIPTRCN-OAHLLOKOSA-N 2 2 328.416 1.012 20 0 EDADLP [NH3+][C@@H](C(=O)NCCCn1cc[nH+]c1)c1ccccc1Br ZINC000662347656 453063250 /nfs/dbraw/zinc/06/32/50/453063250.db2.gz IXOWJCGWMPLORD-CYBMUJFWSA-N 2 2 337.221 1.852 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000662372508 453081938 /nfs/dbraw/zinc/08/19/38/453081938.db2.gz UHJUKEUTZQBWPZ-HZPDHXFCSA-N 2 2 346.431 1.641 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102176 453103732 /nfs/dbraw/zinc/10/37/32/453103732.db2.gz DHVGDPINEUVUSC-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102176 453103738 /nfs/dbraw/zinc/10/37/38/453103738.db2.gz DHVGDPINEUVUSC-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1nc(N)c3ccccc3n1)CCO2 ZINC000646104654 453108656 /nfs/dbraw/zinc/10/86/56/453108656.db2.gz JXTNKKOYHHDVNH-UHFFFAOYSA-N 2 2 327.432 1.509 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1nc(N)c3ccccc3n1)CCO2 ZINC000646104654 453108666 /nfs/dbraw/zinc/10/86/66/453108666.db2.gz JXTNKKOYHHDVNH-UHFFFAOYSA-N 2 2 327.432 1.509 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000660194186 453126484 /nfs/dbraw/zinc/12/64/84/453126484.db2.gz FQEMALUXFVCITH-HOCLYGCPSA-N 2 2 343.493 1.076 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000660194186 453126489 /nfs/dbraw/zinc/12/64/89/453126489.db2.gz FQEMALUXFVCITH-HOCLYGCPSA-N 2 2 343.493 1.076 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000660237426 453147366 /nfs/dbraw/zinc/14/73/66/453147366.db2.gz CJBCCDQVWUPZHW-LSDHHAIUSA-N 2 2 345.281 1.773 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000660237426 453147371 /nfs/dbraw/zinc/14/73/71/453147371.db2.gz CJBCCDQVWUPZHW-LSDHHAIUSA-N 2 2 345.281 1.773 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc4c3C[NH2+]C4)C2)CC1 ZINC000662458279 453166211 /nfs/dbraw/zinc/16/62/11/453166211.db2.gz SFRAOVIYEBKSLV-OAHLLOKOSA-N 3 2 328.460 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc4c3C[NH2+]C4)C2)CC1 ZINC000662458279 453166217 /nfs/dbraw/zinc/16/62/17/453166217.db2.gz SFRAOVIYEBKSLV-OAHLLOKOSA-N 3 2 328.460 1.188 20 0 EDADLP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000662480620 453194856 /nfs/dbraw/zinc/19/48/56/453194856.db2.gz ZEPCKNSADGOGQE-AWEZNQCLSA-N 2 2 335.473 1.331 20 0 EDADLP Cn1ccnc1[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653061970 453238337 /nfs/dbraw/zinc/23/83/37/453238337.db2.gz HCFCWWIHEITZSU-LSDHHAIUSA-N 2 2 349.866 1.558 20 0 EDADLP CC1CCN(C(=O)c2ccccc2NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653066459 453242786 /nfs/dbraw/zinc/24/27/86/453242786.db2.gz SXAVCDAOBSSZEZ-MRXNPFEDSA-N 2 2 346.475 1.776 20 0 EDADLP Cc1c([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000653071544 453249730 /nfs/dbraw/zinc/24/97/30/453249730.db2.gz JZQRABSQKDXXLA-SJCJKPOMSA-N 2 2 347.438 1.776 20 0 EDADLP Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653082018 453261822 /nfs/dbraw/zinc/26/18/22/453261822.db2.gz GPORKXBFDYQJTM-HNNXBMFYSA-N 2 2 332.448 1.449 20 0 EDADLP COc1ccccc1SC[C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653086806 453268267 /nfs/dbraw/zinc/26/82/67/453268267.db2.gz BZLZXURTGQTJRA-UONOGXRCSA-N 2 2 339.505 1.819 20 0 EDADLP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000656548487 453270650 /nfs/dbraw/zinc/27/06/50/453270650.db2.gz KVCPEPXRRHDLAR-SFHVURJKSA-N 2 2 341.459 1.842 20 0 EDADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000656548487 453270659 /nfs/dbraw/zinc/27/06/59/453270659.db2.gz KVCPEPXRRHDLAR-SFHVURJKSA-N 2 2 341.459 1.842 20 0 EDADLP Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653097834 453282326 /nfs/dbraw/zinc/28/23/26/453282326.db2.gz WCXGQSLWFUTKGE-OALUTQOASA-N 2 2 347.503 1.824 20 0 EDADLP COc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653102322 453284765 /nfs/dbraw/zinc/28/47/65/453284765.db2.gz VIYWKHUWZBIEJB-YPMHNXCESA-N 2 2 347.419 1.201 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]1CCCC1 ZINC000653105941 453288193 /nfs/dbraw/zinc/28/81/93/453288193.db2.gz NVERYNLGOZDJOL-DLBZAZTESA-N 3 2 348.491 1.227 20 0 EDADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1nc2ccccc2n1C(F)F ZINC000653107384 453289877 /nfs/dbraw/zinc/28/98/77/453289877.db2.gz HDBKJLRIKGGGNU-GHMZBOCLSA-N 2 2 339.390 1.888 20 0 EDADLP C[C@@H]1CN(c2ccccc2NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H](C)O1 ZINC000653108712 453294125 /nfs/dbraw/zinc/29/41/25/453294125.db2.gz FKUFAPQYSLJGPP-KFWWJZLASA-N 2 2 334.464 1.518 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H](N)CC[NH+](C)C)C[C@H](C)O1 ZINC000653110538 453296385 /nfs/dbraw/zinc/29/63/85/453296385.db2.gz LSBOGMLMLNLXJA-HLLBOEOZSA-N 2 2 348.491 1.513 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H](N)CC[NH+](C)C)C[C@H](C)O1 ZINC000653110538 453296393 /nfs/dbraw/zinc/29/63/93/453296393.db2.gz LSBOGMLMLNLXJA-HLLBOEOZSA-N 2 2 348.491 1.513 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653110538 453296403 /nfs/dbraw/zinc/29/64/03/453296403.db2.gz LSBOGMLMLNLXJA-HLLBOEOZSA-N 3 2 348.491 1.513 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653110538 453296410 /nfs/dbraw/zinc/29/64/10/453296410.db2.gz LSBOGMLMLNLXJA-HLLBOEOZSA-N 3 2 348.491 1.513 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)CO1 ZINC000664663680 453297596 /nfs/dbraw/zinc/29/75/96/453297596.db2.gz ZOCXGDZNSVTFDJ-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)CO1 ZINC000664663680 453297603 /nfs/dbraw/zinc/29/76/03/453297603.db2.gz ZOCXGDZNSVTFDJ-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000653112470 453300105 /nfs/dbraw/zinc/30/01/05/453300105.db2.gz ZLPFMULCHWBJJC-ZWKOTPCHSA-N 3 2 332.492 1.436 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000653112470 453300110 /nfs/dbraw/zinc/30/01/10/453300110.db2.gz ZLPFMULCHWBJJC-ZWKOTPCHSA-N 3 2 332.492 1.436 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000653112467 453300176 /nfs/dbraw/zinc/30/01/76/453300176.db2.gz ZLPFMULCHWBJJC-MSOLQXFVSA-N 3 2 332.492 1.436 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000653112467 453300184 /nfs/dbraw/zinc/30/01/84/453300184.db2.gz ZLPFMULCHWBJJC-MSOLQXFVSA-N 3 2 332.492 1.436 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(Oc2cccc(F)c2)nc1 ZINC000653114214 453300809 /nfs/dbraw/zinc/30/08/09/453300809.db2.gz AGPJOCQFPBALMD-INIZCTEOSA-N 2 2 346.406 1.908 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000653113900 453301830 /nfs/dbraw/zinc/30/18/30/453301830.db2.gz RHKYQTCRGZYKJH-IBGZPJMESA-N 3 2 346.519 1.958 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119178 453308487 /nfs/dbraw/zinc/30/84/87/453308487.db2.gz AJOBPYJGBDSSGA-JKSUJKDBSA-N 2 2 336.455 1.498 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000653122092 453313349 /nfs/dbraw/zinc/31/33/49/453313349.db2.gz LHPXLQVSRQXGLW-HNNXBMFYSA-N 2 2 341.415 1.551 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660452911 453322464 /nfs/dbraw/zinc/32/24/64/453322464.db2.gz CWLCRFKFHLQVNR-ZMSDIMECSA-N 2 2 344.459 1.660 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000664693594 453324913 /nfs/dbraw/zinc/32/49/13/453324913.db2.gz FSPSYGVDVVEFDP-AEFFLSMTSA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000664693594 453324922 /nfs/dbraw/zinc/32/49/22/453324922.db2.gz FSPSYGVDVVEFDP-AEFFLSMTSA-N 2 2 340.512 1.374 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664714231 453341119 /nfs/dbraw/zinc/34/11/19/453341119.db2.gz ULKUSTBBKSORDW-CVEARBPZSA-N 2 2 347.463 1.094 20 0 EDADLP CCN1C[C@@H](C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C)Oc2ccccc21 ZINC000656694415 453367592 /nfs/dbraw/zinc/36/75/92/453367592.db2.gz PENNBDMFFIAKKF-DLBZAZTESA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@@H](C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)Oc2ccccc21 ZINC000656694415 453367599 /nfs/dbraw/zinc/36/75/99/453367599.db2.gz PENNBDMFFIAKKF-DLBZAZTESA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@@H](C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C)Oc2ccccc21 ZINC000656694415 453367605 /nfs/dbraw/zinc/36/76/05/453367605.db2.gz PENNBDMFFIAKKF-DLBZAZTESA-N 2 2 335.492 1.907 20 0 EDADLP CCN1C[C@@H](C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)Oc2ccccc21 ZINC000656694415 453367618 /nfs/dbraw/zinc/36/76/18/453367618.db2.gz PENNBDMFFIAKKF-DLBZAZTESA-N 2 2 335.492 1.907 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCCc3n[nH]nc32)CC1 ZINC000667054392 453370739 /nfs/dbraw/zinc/37/07/39/453370739.db2.gz HKXRDBRORGULMN-GFCCVEGCSA-N 2 2 341.419 1.010 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000653182436 453371955 /nfs/dbraw/zinc/37/19/55/453371955.db2.gz SAROQOPDQBUWBR-INMHGKMJSA-N 2 2 346.475 1.507 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000656702302 453378460 /nfs/dbraw/zinc/37/84/60/453378460.db2.gz OHIKBUIPHASTFR-ZIAGYGMSSA-N 2 2 336.432 1.617 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000656702302 453378473 /nfs/dbraw/zinc/37/84/73/453378473.db2.gz OHIKBUIPHASTFR-ZIAGYGMSSA-N 2 2 336.432 1.617 20 0 EDADLP CCN1CC[C@@H]([N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000660539734 453384919 /nfs/dbraw/zinc/38/49/19/453384919.db2.gz WMCFPESBJXMGEK-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CCN1CC[C@@H]([N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000660539734 453384924 /nfs/dbraw/zinc/38/49/24/453384924.db2.gz WMCFPESBJXMGEK-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000664777926 453397788 /nfs/dbraw/zinc/39/77/88/453397788.db2.gz JJDYGSORENCPBI-DLBZAZTESA-N 2 2 336.455 1.864 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000664777926 453397794 /nfs/dbraw/zinc/39/77/94/453397794.db2.gz JJDYGSORENCPBI-DLBZAZTESA-N 2 2 336.455 1.864 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)cn2c1 ZINC000662688101 453409232 /nfs/dbraw/zinc/40/92/32/453409232.db2.gz IURPMAFZHCZMIT-CQSZACIVSA-N 2 2 326.322 1.801 20 0 EDADLP [NH3+][C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(F)cccc1F ZINC000662710960 453433731 /nfs/dbraw/zinc/43/37/31/453433731.db2.gz ZUPUKDQSRKITPS-WBMJQRKESA-N 2 2 339.386 1.334 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000651304632 453451415 /nfs/dbraw/zinc/45/14/15/453451415.db2.gz BCNBGBSJDOWYSC-QGZVFWFLSA-N 2 2 346.475 1.475 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)CC1 ZINC000664867262 453454546 /nfs/dbraw/zinc/45/45/46/453454546.db2.gz FRGJSQIMGSHBQO-AWEZNQCLSA-N 2 2 333.480 1.347 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)CC1 ZINC000664867262 453454549 /nfs/dbraw/zinc/45/45/49/453454549.db2.gz FRGJSQIMGSHBQO-AWEZNQCLSA-N 2 2 333.480 1.347 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662744523 453473043 /nfs/dbraw/zinc/47/30/43/453473043.db2.gz PGEXLKOPLXOXPQ-MRXNPFEDSA-N 2 2 341.402 1.534 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000660659791 453495508 /nfs/dbraw/zinc/49/55/08/453495508.db2.gz QXXCNFFQQNIVAQ-KRWDZBQOSA-N 2 2 334.464 1.269 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000660659791 453495514 /nfs/dbraw/zinc/49/55/14/453495514.db2.gz QXXCNFFQQNIVAQ-KRWDZBQOSA-N 2 2 334.464 1.269 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000660659791 453495522 /nfs/dbraw/zinc/49/55/22/453495522.db2.gz QXXCNFFQQNIVAQ-KRWDZBQOSA-N 2 2 334.464 1.269 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000660659791 453495534 /nfs/dbraw/zinc/49/55/34/453495534.db2.gz QXXCNFFQQNIVAQ-KRWDZBQOSA-N 2 2 334.464 1.269 20 0 EDADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)C3([NH2+]C4CC4)CCC3)cc2)[nH]1 ZINC000662771555 453508232 /nfs/dbraw/zinc/50/82/32/453508232.db2.gz HIUSQSIPESWDTM-UHFFFAOYSA-N 2 2 326.404 1.544 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1[nH+]ccn1C ZINC000667255899 453516858 /nfs/dbraw/zinc/51/68/58/453516858.db2.gz ZPMORAKQHZFOEJ-CQSZACIVSA-N 2 2 335.452 1.235 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655443045 453530841 /nfs/dbraw/zinc/53/08/41/453530841.db2.gz LMJAXLZYOQPVTQ-ICSRJNTNSA-N 2 2 343.471 1.525 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000660713078 453540673 /nfs/dbraw/zinc/54/06/73/453540673.db2.gz KKQBYRPNSBYHGV-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000660713078 453540677 /nfs/dbraw/zinc/54/06/77/453540677.db2.gz KKQBYRPNSBYHGV-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000660713078 453540681 /nfs/dbraw/zinc/54/06/81/453540681.db2.gz KKQBYRPNSBYHGV-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000660713078 453540684 /nfs/dbraw/zinc/54/06/84/453540684.db2.gz KKQBYRPNSBYHGV-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP Nc1ccc(CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c[nH+]1 ZINC000659039866 453594906 /nfs/dbraw/zinc/59/49/06/453594906.db2.gz BVFUBLJDDPQNIL-OAHLLOKOSA-N 2 2 327.388 1.646 20 0 EDADLP CN(C(=O)CCc1ccccc1N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900895 453595594 /nfs/dbraw/zinc/59/55/94/453595594.db2.gz PXYZVHVTLDGLTK-GOSISDBHSA-N 2 2 344.503 1.828 20 0 EDADLP CN(C(=O)CCc1ccccc1N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900895 453595598 /nfs/dbraw/zinc/59/55/98/453595598.db2.gz PXYZVHVTLDGLTK-GOSISDBHSA-N 2 2 344.503 1.828 20 0 EDADLP Cc1cc(CNC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc(C)[nH+]1 ZINC000665163806 453597806 /nfs/dbraw/zinc/59/78/06/453597806.db2.gz IQMRICJBZASQQH-QGZVFWFLSA-N 2 2 332.448 1.439 20 0 EDADLP Cc1cc(CNC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc(C)[nH+]1 ZINC000665163806 453597809 /nfs/dbraw/zinc/59/78/09/453597809.db2.gz IQMRICJBZASQQH-QGZVFWFLSA-N 2 2 332.448 1.439 20 0 EDADLP C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)[C@@H]1CCC[NH2+]1 ZINC000665235922 453619197 /nfs/dbraw/zinc/61/91/97/453619197.db2.gz CJUVISVATFVRSA-JQWIXIFHSA-N 2 2 341.253 1.304 20 0 EDADLP CCc1ncc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000657071599 453661259 /nfs/dbraw/zinc/66/12/59/453661259.db2.gz SFQMGIRFOBMQDH-LBPRGKRZSA-N 2 2 348.538 1.256 20 0 EDADLP CCc1ncc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000657071599 453661262 /nfs/dbraw/zinc/66/12/62/453661262.db2.gz SFQMGIRFOBMQDH-LBPRGKRZSA-N 2 2 348.538 1.256 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NCc1ccccc1F ZINC000663305330 453763964 /nfs/dbraw/zinc/76/39/64/453763964.db2.gz YDHDHEHQZOAOSH-PBHICJAKSA-N 2 2 349.450 1.673 20 0 EDADLP CCNC(=O)c1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000665614728 453766325 /nfs/dbraw/zinc/76/63/25/453766325.db2.gz NYVRLFVPYKNGLF-UHFFFAOYSA-N 2 2 349.479 1.441 20 0 EDADLP CCNC(=O)c1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000665614728 453766326 /nfs/dbraw/zinc/76/63/26/453766326.db2.gz NYVRLFVPYKNGLF-UHFFFAOYSA-N 2 2 349.479 1.441 20 0 EDADLP CCN(C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000665615072 453767281 /nfs/dbraw/zinc/76/72/81/453767281.db2.gz ZREIOJSYMQRZLH-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CCN(C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000665615072 453767285 /nfs/dbraw/zinc/76/72/85/453767285.db2.gz ZREIOJSYMQRZLH-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000665617439 453768500 /nfs/dbraw/zinc/76/85/00/453768500.db2.gz JNQNGYIEFSJGLG-OAHLLOKOSA-N 2 2 331.464 1.775 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c2[nH+]ccn21 ZINC000661280534 453782198 /nfs/dbraw/zinc/78/21/98/453782198.db2.gz KCLLWKHXEKXBHZ-SNPRPXQTSA-N 2 2 333.436 1.441 20 0 EDADLP Cc1cc(CO)cc(NCc2cccnc2N2CC[NH+](C)CC2)[nH+]1 ZINC000663440955 453799702 /nfs/dbraw/zinc/79/97/02/453799702.db2.gz LPIRJYLRUBRCBU-UHFFFAOYSA-N 2 2 327.432 1.641 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1Cl ZINC000252495986 486688126 /nfs/dbraw/zinc/68/81/26/486688126.db2.gz CYLZMJUJILNONF-HUUCEWRRSA-N 2 2 325.840 1.390 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1Cl ZINC000252495986 486688131 /nfs/dbraw/zinc/68/81/31/486688131.db2.gz CYLZMJUJILNONF-HUUCEWRRSA-N 2 2 325.840 1.390 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676258153 486712492 /nfs/dbraw/zinc/71/24/92/486712492.db2.gz CYAVMMGAQOFLHZ-CZUORRHYSA-N 2 2 330.432 1.434 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676258153 486712493 /nfs/dbraw/zinc/71/24/93/486712493.db2.gz CYAVMMGAQOFLHZ-CZUORRHYSA-N 2 2 330.432 1.434 20 0 EDADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000414194990 486713295 /nfs/dbraw/zinc/71/32/95/486713295.db2.gz YIYLMJBKZJOSAR-IAGOWNOFSA-N 2 2 331.460 1.707 20 0 EDADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000414194990 486713301 /nfs/dbraw/zinc/71/33/01/486713301.db2.gz YIYLMJBKZJOSAR-IAGOWNOFSA-N 2 2 331.460 1.707 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000573722826 486740886 /nfs/dbraw/zinc/74/08/86/486740886.db2.gz IETNBSSFUWNQRH-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000573722826 486740890 /nfs/dbraw/zinc/74/08/90/486740890.db2.gz IETNBSSFUWNQRH-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)n2c1 ZINC000676418203 486763306 /nfs/dbraw/zinc/76/33/06/486763306.db2.gz LAOWAJDFBPJSJW-CJNGLKHVSA-N 2 2 338.415 1.660 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415643617 486761639 /nfs/dbraw/zinc/76/16/39/486761639.db2.gz JKDMBAQFFRNHQZ-QWHCGFSZSA-N 2 2 327.388 1.197 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000667423929 486773623 /nfs/dbraw/zinc/77/36/23/486773623.db2.gz YKWFVEAKOXRDKC-GJZGRUSLSA-N 2 2 332.448 1.228 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000667423929 486773626 /nfs/dbraw/zinc/77/36/26/486773626.db2.gz YKWFVEAKOXRDKC-GJZGRUSLSA-N 2 2 332.448 1.228 20 0 EDADLP c1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000680527080 486801997 /nfs/dbraw/zinc/80/19/97/486801997.db2.gz OCBXAFQJJBHOLP-MRXNPFEDSA-N 2 2 331.464 1.768 20 0 EDADLP CCc1c[nH]c(=O)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000667642295 486894902 /nfs/dbraw/zinc/89/49/02/486894902.db2.gz WBWTZNCHNLWXQX-UHFFFAOYSA-N 2 2 346.475 1.638 20 0 EDADLP COCc1cncc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680928658 486895945 /nfs/dbraw/zinc/89/59/45/486895945.db2.gz IHCGESFWNXMVBA-SFHVURJKSA-N 2 2 346.475 1.469 20 0 EDADLP COCc1cncc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680928658 486895948 /nfs/dbraw/zinc/89/59/48/486895948.db2.gz IHCGESFWNXMVBA-SFHVURJKSA-N 2 2 346.475 1.469 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cnc(NC(=O)[C@H](C)[NH+](C)C)n2)c1C ZINC000684072985 486934946 /nfs/dbraw/zinc/93/49/46/486934946.db2.gz MZARKSNEANOXMV-LBPRGKRZSA-N 2 2 332.408 1.235 20 0 EDADLP Cn1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000681167107 486957554 /nfs/dbraw/zinc/95/75/54/486957554.db2.gz HPYFNZAHWXYFHH-OAHLLOKOSA-N 2 2 341.450 1.958 20 0 EDADLP Cn1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000681167107 486957557 /nfs/dbraw/zinc/95/75/57/486957557.db2.gz HPYFNZAHWXYFHH-OAHLLOKOSA-N 2 2 341.450 1.958 20 0 EDADLP CN(Cc1cn(C)nc1C(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681167107 486957561 /nfs/dbraw/zinc/95/75/61/486957561.db2.gz HPYFNZAHWXYFHH-OAHLLOKOSA-N 2 2 341.450 1.958 20 0 EDADLP CN(Cc1cn(C)nc1C(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681167107 486957565 /nfs/dbraw/zinc/95/75/65/486957565.db2.gz HPYFNZAHWXYFHH-OAHLLOKOSA-N 2 2 341.450 1.958 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1CC1 ZINC000667806177 486974450 /nfs/dbraw/zinc/97/44/50/486974450.db2.gz MUGBUQVGXDBMPZ-XJKSGUPXSA-N 2 2 340.431 1.904 20 0 EDADLP Cc1cncc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000681217351 486977694 /nfs/dbraw/zinc/97/76/94/486977694.db2.gz KCUBDULOSCFCQB-GOSISDBHSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1cncc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000681217351 486977697 /nfs/dbraw/zinc/97/76/97/486977697.db2.gz KCUBDULOSCFCQB-GOSISDBHSA-N 2 2 345.491 1.700 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)[NH+](CC)CC ZINC000673467162 487009485 /nfs/dbraw/zinc/00/94/85/487009485.db2.gz GBFITDBTIRVKMR-HUUCEWRRSA-N 2 2 337.468 1.518 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+](CC)CC ZINC000673467162 487009490 /nfs/dbraw/zinc/00/94/90/487009490.db2.gz GBFITDBTIRVKMR-HUUCEWRRSA-N 2 2 337.468 1.518 20 0 EDADLP CN(C(=O)c1ccn(C)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290809 487034302 /nfs/dbraw/zinc/03/43/02/487034302.db2.gz QNZPQCSNBNGYDW-ROUUACIJSA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1ccn(C)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290809 487034309 /nfs/dbraw/zinc/03/43/09/487034309.db2.gz QNZPQCSNBNGYDW-ROUUACIJSA-N 2 2 347.507 1.829 20 0 EDADLP CN(Cc1nccs1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673706786 487097054 /nfs/dbraw/zinc/09/70/54/487097054.db2.gz JWRRPGIKSMSTNK-CYBMUJFWSA-N 2 2 337.493 1.453 20 0 EDADLP CN(Cc1nccs1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673706786 487097059 /nfs/dbraw/zinc/09/70/59/487097059.db2.gz JWRRPGIKSMSTNK-CYBMUJFWSA-N 2 2 337.493 1.453 20 0 EDADLP CN(C(=O)c1coc(C2CC2)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681634463 487116158 /nfs/dbraw/zinc/11/61/58/487116158.db2.gz DJXRLLYNGFIGPX-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP CN(C(=O)c1coc(C2CC2)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681634463 487116162 /nfs/dbraw/zinc/11/61/62/487116162.db2.gz DJXRLLYNGFIGPX-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000668154829 487122562 /nfs/dbraw/zinc/12/25/62/487122562.db2.gz XICPFSXDAHMENB-UHFFFAOYSA-N 2 2 331.420 1.829 20 0 EDADLP Cc1cn2ccc(NC(=O)N[C@H](C)[C@H](C)[NH+]3CCOCC3)cc2[nH+]1 ZINC000668154900 487122654 /nfs/dbraw/zinc/12/26/54/487122654.db2.gz ZNSOWSWFOGCHAM-KGLIPLIRSA-N 2 2 331.420 1.873 20 0 EDADLP CN(Cc1c(C2CC2)cnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668162176 487124577 /nfs/dbraw/zinc/12/45/77/487124577.db2.gz QJCBSAIQCKPPCQ-QGZVFWFLSA-N 2 2 331.508 1.898 20 0 EDADLP CN(Cc1c(C2CC2)cnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668162176 487124581 /nfs/dbraw/zinc/12/45/81/487124581.db2.gz QJCBSAIQCKPPCQ-QGZVFWFLSA-N 2 2 331.508 1.898 20 0 EDADLP Cn1ncc(C2CC2)c1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162176 487124586 /nfs/dbraw/zinc/12/45/86/487124586.db2.gz QJCBSAIQCKPPCQ-QGZVFWFLSA-N 2 2 331.508 1.898 20 0 EDADLP Cn1ncc(C2CC2)c1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162176 487124589 /nfs/dbraw/zinc/12/45/89/487124589.db2.gz QJCBSAIQCKPPCQ-QGZVFWFLSA-N 2 2 331.508 1.898 20 0 EDADLP Cc1cccn2c(C[NH2+][C@H]3CCN(C4CCOCC4)C3=O)c[nH+]c12 ZINC000673885627 487146987 /nfs/dbraw/zinc/14/69/87/487146987.db2.gz JGVAXGRMJXBVIN-INIZCTEOSA-N 2 2 328.416 1.512 20 0 EDADLP C[C@H]1C[N@H+](Cc2nnc(-c3ccco3)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677904720 487197293 /nfs/dbraw/zinc/19/72/93/487197293.db2.gz BLOLMVIFYRKIHA-GJZGRUSLSA-N 2 2 345.447 1.787 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nnc(-c3ccco3)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677904720 487197295 /nfs/dbraw/zinc/19/72/95/487197295.db2.gz BLOLMVIFYRKIHA-GJZGRUSLSA-N 2 2 345.447 1.787 20 0 EDADLP Cc1nc2ncnn2c(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000674262775 487225383 /nfs/dbraw/zinc/22/53/83/487225383.db2.gz BVUDYXJDEYJDSV-AWEZNQCLSA-N 2 2 329.452 1.322 20 0 EDADLP Cc1nc2ncnn2c(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000674262775 487225387 /nfs/dbraw/zinc/22/53/87/487225387.db2.gz BVUDYXJDEYJDSV-AWEZNQCLSA-N 2 2 329.452 1.322 20 0 EDADLP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000678045248 487233227 /nfs/dbraw/zinc/23/32/27/487233227.db2.gz DJBIIQYECYODBY-UHFFFAOYSA-N 2 2 338.452 1.684 20 0 EDADLP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000678045248 487233230 /nfs/dbraw/zinc/23/32/30/487233230.db2.gz DJBIIQYECYODBY-UHFFFAOYSA-N 2 2 338.452 1.684 20 0 EDADLP CCc1nn(C)c(OC)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678074585 487242358 /nfs/dbraw/zinc/24/23/58/487242358.db2.gz PJAOKQYMTMVGDJ-OAHLLOKOSA-N 2 2 336.480 1.724 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000685412784 487270484 /nfs/dbraw/zinc/27/04/84/487270484.db2.gz WZBYZCRVYIPUQY-MOPGFXCFSA-N 2 2 348.487 1.921 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000685412784 487270488 /nfs/dbraw/zinc/27/04/88/487270488.db2.gz WZBYZCRVYIPUQY-MOPGFXCFSA-N 2 2 348.487 1.921 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000685567052 487297392 /nfs/dbraw/zinc/29/73/92/487297392.db2.gz MYPJPUUMMMZTCU-SFHVURJKSA-N 2 2 331.460 1.466 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000685567052 487297394 /nfs/dbraw/zinc/29/73/94/487297394.db2.gz MYPJPUUMMMZTCU-SFHVURJKSA-N 2 2 331.460 1.466 20 0 EDADLP C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000685567052 487297396 /nfs/dbraw/zinc/29/73/96/487297396.db2.gz MYPJPUUMMMZTCU-SFHVURJKSA-N 2 2 331.460 1.466 20 0 EDADLP C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685567052 487297398 /nfs/dbraw/zinc/29/73/98/487297398.db2.gz MYPJPUUMMMZTCU-SFHVURJKSA-N 2 2 331.460 1.466 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000682238260 487327996 /nfs/dbraw/zinc/32/79/96/487327996.db2.gz ROQCFNOSSDBQLU-UHFFFAOYSA-N 2 2 342.443 1.931 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c(C)[nH+]1 ZINC000674885910 487345752 /nfs/dbraw/zinc/34/57/52/487345752.db2.gz ZSQBBQNXKXCFLF-UHFFFAOYSA-N 2 2 339.399 1.381 20 0 EDADLP Fc1c[nH+]ccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000678787775 487363568 /nfs/dbraw/zinc/36/35/68/487363568.db2.gz YMHZELDAIOBEBS-UHFFFAOYSA-N 2 2 331.391 1.966 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682494176 487375657 /nfs/dbraw/zinc/37/56/57/487375657.db2.gz PVEVARXPOWEZDF-IAGOWNOFSA-N 2 2 345.491 1.074 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682494176 487375660 /nfs/dbraw/zinc/37/56/60/487375660.db2.gz PVEVARXPOWEZDF-IAGOWNOFSA-N 2 2 345.491 1.074 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045589 487388728 /nfs/dbraw/zinc/38/87/28/487388728.db2.gz VQTNTXKTYCXCCU-VQIMIIECSA-N 2 2 333.476 1.470 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045589 487388729 /nfs/dbraw/zinc/38/87/29/487388729.db2.gz VQTNTXKTYCXCCU-VQIMIIECSA-N 2 2 333.476 1.470 20 0 EDADLP COc1nc(C)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679100931 487391945 /nfs/dbraw/zinc/39/19/45/487391945.db2.gz FNWKTNQSZPEFGJ-MRXNPFEDSA-N 2 2 346.475 1.639 20 0 EDADLP COc1nc(C)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679100931 487391947 /nfs/dbraw/zinc/39/19/47/487391947.db2.gz FNWKTNQSZPEFGJ-MRXNPFEDSA-N 2 2 346.475 1.639 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC=CCC3)CC2)cc1 ZINC000679323713 487414666 /nfs/dbraw/zinc/41/46/66/487414666.db2.gz UTXJBHLUAOELJN-UHFFFAOYSA-N 2 2 329.444 1.601 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC=CCC3)CC2)cc1 ZINC000679323713 487414669 /nfs/dbraw/zinc/41/46/69/487414669.db2.gz UTXJBHLUAOELJN-UHFFFAOYSA-N 2 2 329.444 1.601 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CC=CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000679324149 487414808 /nfs/dbraw/zinc/41/48/08/487414808.db2.gz MNQIQCRKSFRQNQ-UHFFFAOYSA-N 2 2 343.475 1.819 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC=CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000679324149 487414810 /nfs/dbraw/zinc/41/48/10/487414810.db2.gz MNQIQCRKSFRQNQ-UHFFFAOYSA-N 2 2 343.475 1.819 20 0 EDADLP Cc1[nH]ncc1[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000679345586 487416496 /nfs/dbraw/zinc/41/64/96/487416496.db2.gz MSVIGCGMYJZVQE-CYBMUJFWSA-N 2 2 335.496 1.995 20 0 EDADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000676030162 487466943 /nfs/dbraw/zinc/46/69/43/487466943.db2.gz VWDHASXUNUCRMU-HZPDHXFCSA-N 2 2 342.447 1.842 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)[nH+]c12 ZINC000669511927 485476832 /nfs/dbraw/zinc/47/68/32/485476832.db2.gz NRNMRVVLXNBWNV-ZBFHGGJFSA-N 2 2 327.432 1.579 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000669542753 485528860 /nfs/dbraw/zinc/52/88/60/485528860.db2.gz CTVLLACWNDOCBO-BZUAXINKSA-N 2 2 331.464 1.725 20 0 EDADLP Cc1ccc(SC[C@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000669563127 485571936 /nfs/dbraw/zinc/57/19/36/485571936.db2.gz VSRMBNMCVPQOEY-GJZGRUSLSA-N 2 2 336.505 1.760 20 0 EDADLP Cc1ccc(SC[C@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000669563127 485571942 /nfs/dbraw/zinc/57/19/42/485571942.db2.gz VSRMBNMCVPQOEY-GJZGRUSLSA-N 2 2 336.505 1.760 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985277 485608569 /nfs/dbraw/zinc/60/85/69/485608569.db2.gz APKYSJRFKVYIRY-CVEARBPZSA-N 2 2 325.497 1.866 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985277 485608576 /nfs/dbraw/zinc/60/85/76/485608576.db2.gz APKYSJRFKVYIRY-CVEARBPZSA-N 2 2 325.497 1.866 20 0 EDADLP CO[C@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000669252223 485858733 /nfs/dbraw/zinc/85/87/33/485858733.db2.gz KRQYYFXOFLNGSH-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000668565007 485901223 /nfs/dbraw/zinc/90/12/23/485901223.db2.gz XXRICTCCOWDLGY-BZUAXINKSA-N 2 2 332.448 1.237 20 0 EDADLP CCc1c[nH]c(=O)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000668617697 485957688 /nfs/dbraw/zinc/95/76/88/485957688.db2.gz KZIKQFZTLKLZHL-MRXNPFEDSA-N 2 2 346.475 1.590 20 0 EDADLP CCc1c[nH]c(=O)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000668617697 485957698 /nfs/dbraw/zinc/95/76/98/485957698.db2.gz KZIKQFZTLKLZHL-MRXNPFEDSA-N 2 2 346.475 1.590 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCC[C@H]3C(F)F)C2)CC1 ZINC000669650065 485978241 /nfs/dbraw/zinc/97/82/41/485978241.db2.gz VXFKJVNHVDXOGR-ZFWWWQNUSA-N 2 2 344.450 1.984 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCC[C@H]3C(F)F)C2)CC1 ZINC000669650065 485978247 /nfs/dbraw/zinc/97/82/47/485978247.db2.gz VXFKJVNHVDXOGR-ZFWWWQNUSA-N 2 2 344.450 1.984 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(C[NH3+])o1 ZINC000237675295 485996905 /nfs/dbraw/zinc/99/69/05/485996905.db2.gz DPHZHPBUWVWHAY-CQSZACIVSA-N 2 2 343.431 1.074 20 0 EDADLP CC1(C)CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000668747344 486144586 /nfs/dbraw/zinc/14/45/86/486144586.db2.gz ILDLWKMTLBWFKN-UHFFFAOYSA-N 2 2 346.475 1.412 20 0 EDADLP CCCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000669511758 486294523 /nfs/dbraw/zinc/29/45/23/486294523.db2.gz DZRZSDAIMWXEIA-MRXNPFEDSA-N 2 2 329.448 1.969 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NC[C@]3(C)CCC[NH2+]C3)[nH+]c12 ZINC000669511829 486294928 /nfs/dbraw/zinc/29/49/28/486294928.db2.gz ITJHAFDIIOYLQQ-GOSISDBHSA-N 2 2 329.448 1.874 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000457799733 486453841 /nfs/dbraw/zinc/45/38/41/486453841.db2.gz SZYUGQKWDKNSPH-OAHLLOKOSA-N 2 2 333.480 1.888 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)CC1 ZINC000246370895 486606240 /nfs/dbraw/zinc/60/62/40/486606240.db2.gz HJPVLPWXSTWJDU-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](OCCC(C)C)C2)CC1 ZINC000246370895 486606247 /nfs/dbraw/zinc/60/62/47/486606247.db2.gz HJPVLPWXSTWJDU-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000123993739 491208285 /nfs/dbraw/zinc/20/82/85/491208285.db2.gz MKERRRWJLUYAQV-YTQUADARSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000123993739 491208287 /nfs/dbraw/zinc/20/82/87/491208287.db2.gz MKERRRWJLUYAQV-YTQUADARSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000123993739 491208290 /nfs/dbraw/zinc/20/82/90/491208290.db2.gz MKERRRWJLUYAQV-YTQUADARSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000123993739 491208292 /nfs/dbraw/zinc/20/82/92/491208292.db2.gz MKERRRWJLUYAQV-YTQUADARSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000126588933 491015291 /nfs/dbraw/zinc/01/52/91/491015291.db2.gz SOGAMFFHJFQCCU-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000126588933 491015292 /nfs/dbraw/zinc/01/52/92/491015292.db2.gz SOGAMFFHJFQCCU-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000126588933 491015293 /nfs/dbraw/zinc/01/52/93/491015293.db2.gz SOGAMFFHJFQCCU-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000126588933 491015294 /nfs/dbraw/zinc/01/52/94/491015294.db2.gz SOGAMFFHJFQCCU-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1)CC2 ZINC000638328442 500991505 /nfs/dbraw/zinc/99/15/05/500991505.db2.gz HWVAVBMRGHXDFD-HZPDHXFCSA-N 2 2 325.416 1.322 20 0 EDADLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129286409 534067357 /nfs/dbraw/zinc/06/73/57/534067357.db2.gz AZNPPXDPFFBHST-INIZCTEOSA-N 2 2 347.459 1.678 20 0 EDADLP COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129286409 534067364 /nfs/dbraw/zinc/06/73/64/534067364.db2.gz AZNPPXDPFFBHST-INIZCTEOSA-N 2 2 347.459 1.678 20 0 EDADLP C[C@@H](C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000187365119 534080194 /nfs/dbraw/zinc/08/01/94/534080194.db2.gz DCQPOTSAELNKMF-IEBWSBKVSA-N 2 2 345.487 1.388 20 0 EDADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181024222 534084917 /nfs/dbraw/zinc/08/49/17/534084917.db2.gz KEJRWJRGMRXCHN-WRWLIDTKSA-N 2 2 343.471 1.443 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173954294 534243249 /nfs/dbraw/zinc/24/32/49/534243249.db2.gz MAQQJAQUOSMMAD-JKSUJKDBSA-N 2 2 341.496 1.497 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173954294 534243254 /nfs/dbraw/zinc/24/32/54/534243254.db2.gz MAQQJAQUOSMMAD-JKSUJKDBSA-N 2 2 341.496 1.497 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173954294 534243256 /nfs/dbraw/zinc/24/32/56/534243256.db2.gz MAQQJAQUOSMMAD-JKSUJKDBSA-N 2 2 341.496 1.497 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173954294 534243259 /nfs/dbraw/zinc/24/32/59/534243259.db2.gz MAQQJAQUOSMMAD-JKSUJKDBSA-N 2 2 341.496 1.497 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000183448520 534272388 /nfs/dbraw/zinc/27/23/88/534272388.db2.gz ZLZNMXZPVBEPHK-CZUORRHYSA-N 2 2 333.432 1.874 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000183448520 534272390 /nfs/dbraw/zinc/27/23/90/534272390.db2.gz ZLZNMXZPVBEPHK-CZUORRHYSA-N 2 2 333.432 1.874 20 0 EDADLP COC(=O)c1oc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000171933249 534377452 /nfs/dbraw/zinc/37/74/52/534377452.db2.gz CSEWOASHTDWBSO-INIZCTEOSA-N 2 2 349.475 1.977 20 0 EDADLP COC(=O)c1oc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000171933249 534377461 /nfs/dbraw/zinc/37/74/61/534377461.db2.gz CSEWOASHTDWBSO-INIZCTEOSA-N 2 2 349.475 1.977 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000177917880 534468341 /nfs/dbraw/zinc/46/83/41/534468341.db2.gz HVHPTEJLKAILNZ-GASCZTMLSA-N 2 2 345.447 1.633 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000177917880 534468346 /nfs/dbraw/zinc/46/83/46/534468346.db2.gz HVHPTEJLKAILNZ-GASCZTMLSA-N 2 2 345.447 1.633 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)c1 ZINC000188694991 524399941 /nfs/dbraw/zinc/39/99/41/524399941.db2.gz ZROOQBDORRADNC-UHFFFAOYSA-N 2 2 339.443 1.322 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000129242355 528357673 /nfs/dbraw/zinc/35/76/73/528357673.db2.gz YQVGICYKXVPQRA-QYZOEREBSA-N 2 2 345.487 1.684 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000129242355 528357679 /nfs/dbraw/zinc/35/76/79/528357679.db2.gz YQVGICYKXVPQRA-QYZOEREBSA-N 2 2 345.487 1.684 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173940746 528730571 /nfs/dbraw/zinc/73/05/71/528730571.db2.gz RVZFHCHWTALUSJ-UHFFFAOYSA-N 2 2 333.440 1.619 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1F ZINC000180909417 529207028 /nfs/dbraw/zinc/20/70/28/529207028.db2.gz IWUMPVHSEMMFGA-MAUKXSAKSA-N 2 2 349.450 1.800 20 0 EDADLP CC(C)n1ncc2cc(C[NH+]3CCN(C(=O)C[NH+](C)C)CC3)cnc21 ZINC000332587745 535138368 /nfs/dbraw/zinc/13/83/68/535138368.db2.gz DBNWNUSYVOTRKE-UHFFFAOYSA-N 2 2 344.463 1.218 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000347082513 535170646 /nfs/dbraw/zinc/17/06/46/535170646.db2.gz CJXSNFQRNUAHOO-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000347082513 535170653 /nfs/dbraw/zinc/17/06/53/535170653.db2.gz CJXSNFQRNUAHOO-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000347082513 535170658 /nfs/dbraw/zinc/17/06/58/535170658.db2.gz CJXSNFQRNUAHOO-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000347082513 535170663 /nfs/dbraw/zinc/17/06/63/535170663.db2.gz CJXSNFQRNUAHOO-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346222035 535269634 /nfs/dbraw/zinc/26/96/34/535269634.db2.gz LJFFREFYUGOIEF-BRSBDYLESA-N 2 2 337.508 1.676 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346222035 535269640 /nfs/dbraw/zinc/26/96/40/535269640.db2.gz LJFFREFYUGOIEF-BRSBDYLESA-N 2 2 337.508 1.676 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346222035 535269644 /nfs/dbraw/zinc/26/96/44/535269644.db2.gz LJFFREFYUGOIEF-BRSBDYLESA-N 2 2 337.508 1.676 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346222035 535269648 /nfs/dbraw/zinc/26/96/48/535269648.db2.gz LJFFREFYUGOIEF-BRSBDYLESA-N 2 2 337.508 1.676 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC000246936240 535526687 /nfs/dbraw/zinc/52/66/87/535526687.db2.gz XFDARKIZOXNSSM-ZFWWWQNUSA-N 2 2 332.452 1.912 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](Nc2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC000246936240 535526698 /nfs/dbraw/zinc/52/66/98/535526698.db2.gz XFDARKIZOXNSSM-ZFWWWQNUSA-N 2 2 332.452 1.912 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]([NH3+])Cc3ccccc3)CC2)CC1 ZINC000237164473 536340181 /nfs/dbraw/zinc/34/01/81/536340181.db2.gz KYYKYGQUAYXMCW-LJQANCHMSA-N 3 2 344.503 1.231 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 ZINC000195204913 536340408 /nfs/dbraw/zinc/34/04/08/536340408.db2.gz OUNOFIZUINFELH-UHFFFAOYSA-N 2 2 332.448 1.840 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236030 536404014 /nfs/dbraw/zinc/40/40/14/536404014.db2.gz NXVBLURFASMXGK-RBUKOAKNSA-N 3 2 344.503 1.576 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236030 536404015 /nfs/dbraw/zinc/40/40/15/536404015.db2.gz NXVBLURFASMXGK-RBUKOAKNSA-N 3 2 344.503 1.576 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc(OC)c1O ZINC000345319649 536802593 /nfs/dbraw/zinc/80/25/93/536802593.db2.gz QKZMJCFGIVBMIT-HNNXBMFYSA-N 2 2 338.448 1.856 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc(OC)c1O ZINC000345319649 536802595 /nfs/dbraw/zinc/80/25/95/536802595.db2.gz QKZMJCFGIVBMIT-HNNXBMFYSA-N 2 2 338.448 1.856 20 0 EDADLP COc1cc(OC)c(OC)cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261645188 536866677 /nfs/dbraw/zinc/86/66/77/536866677.db2.gz IWSRARBGRQZIHQ-HNNXBMFYSA-N 2 2 335.448 1.192 20 0 EDADLP COc1ccc([C@@H](NC(=O)C2CC[NH2+]CC2)c2[nH+]ccn2C)cc1 ZINC000237252615 536888503 /nfs/dbraw/zinc/88/85/03/536888503.db2.gz IOXSUONFTRKDKH-MRXNPFEDSA-N 2 2 328.416 1.634 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000743813343 579491560 /nfs/dbraw/zinc/49/15/60/579491560.db2.gz OAULPCFPEPLQHI-HNNXBMFYSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000743813343 579491562 /nfs/dbraw/zinc/49/15/62/579491562.db2.gz OAULPCFPEPLQHI-HNNXBMFYSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000726253417 578338077 /nfs/dbraw/zinc/33/80/77/578338077.db2.gz BMVWXTDGYBCLHC-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000726253417 578338078 /nfs/dbraw/zinc/33/80/78/578338078.db2.gz BMVWXTDGYBCLHC-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](C)CCNC(=S)NCc1ccccc1C[NH+]1CCOCC1 ZINC000747754055 578367812 /nfs/dbraw/zinc/36/78/12/578367812.db2.gz VWQRNOJGHYAXFT-UHFFFAOYSA-N 2 2 336.505 1.045 20 0 EDADLP C[NH+](C)CCOCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000788018791 578547681 /nfs/dbraw/zinc/54/76/81/578547681.db2.gz SFCOZWQPHLARLZ-UHFFFAOYSA-N 2 2 331.420 1.250 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000729527986 578580647 /nfs/dbraw/zinc/58/06/47/578580647.db2.gz LTGNVIWUURZMDE-KRWDZBQOSA-N 2 2 325.497 1.679 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000729527986 578580649 /nfs/dbraw/zinc/58/06/49/578580649.db2.gz LTGNVIWUURZMDE-KRWDZBQOSA-N 2 2 325.497 1.679 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000729925851 578601864 /nfs/dbraw/zinc/60/18/64/578601864.db2.gz WMCOLYQCILZMKI-CVEARBPZSA-N 2 2 325.416 1.966 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000729925851 578601865 /nfs/dbraw/zinc/60/18/65/578601865.db2.gz WMCOLYQCILZMKI-CVEARBPZSA-N 2 2 325.416 1.966 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000729929422 578602370 /nfs/dbraw/zinc/60/23/70/578602370.db2.gz VGESFZNNAUTVMC-OAHLLOKOSA-N 2 2 329.466 1.280 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000729929422 578602371 /nfs/dbraw/zinc/60/23/71/578602371.db2.gz VGESFZNNAUTVMC-OAHLLOKOSA-N 2 2 329.466 1.280 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000730577967 578652425 /nfs/dbraw/zinc/65/24/25/578652425.db2.gz HCADDKXWXVRUJG-UHFFFAOYSA-N 2 2 342.447 1.941 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)NCc3cccs3)C2)CC1 ZINC000732720938 578725577 /nfs/dbraw/zinc/72/55/77/578725577.db2.gz NHBLTOISYOMNJL-ZDUSSCGKSA-N 2 2 338.546 1.881 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)NCc3cccs3)C2)CC1 ZINC000732720938 578725578 /nfs/dbraw/zinc/72/55/78/578725578.db2.gz NHBLTOISYOMNJL-ZDUSSCGKSA-N 2 2 338.546 1.881 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000734942758 578846439 /nfs/dbraw/zinc/84/64/39/578846439.db2.gz PPTBBZQPQHMJMM-HUUCEWRRSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000734942758 578846440 /nfs/dbraw/zinc/84/64/40/578846440.db2.gz PPTBBZQPQHMJMM-HUUCEWRRSA-N 2 2 328.501 1.373 20 0 EDADLP CC1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)C2=O ZINC000738158595 579166031 /nfs/dbraw/zinc/16/60/31/579166031.db2.gz MYGKSZWMLYUAKR-CSLYMUCUSA-N 2 2 345.447 1.978 20 0 EDADLP CC1CCC2(CC1)NC(=O)N(C[N@H+]1CCC[C@H](n3cc[nH+]c3)C1)C2=O ZINC000738158595 579166033 /nfs/dbraw/zinc/16/60/33/579166033.db2.gz MYGKSZWMLYUAKR-CSLYMUCUSA-N 2 2 345.447 1.978 20 0 EDADLP C[C@@H]1CCN2C(=O)N([C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@@H]2C1 ZINC000761297949 580054206 /nfs/dbraw/zinc/05/42/06/580054206.db2.gz CIQNHIFUZGWSRJ-KBMXLJTQSA-N 2 2 334.464 1.218 20 0 EDADLP C[C@@H]1CCN2C(=O)N([C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@@H]2C1 ZINC000761297949 580054207 /nfs/dbraw/zinc/05/42/07/580054207.db2.gz CIQNHIFUZGWSRJ-KBMXLJTQSA-N 2 2 334.464 1.218 20 0 EDADLP CC[C@@H]1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CC1 ZINC000761297815 580054281 /nfs/dbraw/zinc/05/42/81/580054281.db2.gz BZKZECJSIUTJQV-HZPDHXFCSA-N 2 2 334.464 1.360 20 0 EDADLP CC[C@@H]1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CC1 ZINC000761297815 580054282 /nfs/dbraw/zinc/05/42/82/580054282.db2.gz BZKZECJSIUTJQV-HZPDHXFCSA-N 2 2 334.464 1.360 20 0 EDADLP COC[C@]1(C)CC(=O)N(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000746651906 579605065 /nfs/dbraw/zinc/60/50/65/579605065.db2.gz VEYMMWDBIGEGCV-LISAXSMJSA-N 2 2 339.480 1.012 20 0 EDADLP COC[C@]1(C)CC(=O)N(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000746651906 579605066 /nfs/dbraw/zinc/60/50/66/579605066.db2.gz VEYMMWDBIGEGCV-LISAXSMJSA-N 2 2 339.480 1.012 20 0 EDADLP Cn1ccnc1[C@](O)(C[NH2+]C1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000777572057 580445191 /nfs/dbraw/zinc/44/51/91/580445191.db2.gz DWEZWODRWLHPAX-OAHLLOKOSA-N 2 2 346.397 1.634 20 0 EDADLP O=C(NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000747680845 579653668 /nfs/dbraw/zinc/65/36/68/579653668.db2.gz CBFBERYGLYHTOP-GOSISDBHSA-N 2 2 337.508 1.604 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000748104478 579669696 /nfs/dbraw/zinc/66/96/96/579669696.db2.gz HDRMMCYLJLGGJR-UHFFFAOYSA-N 2 2 325.376 1.272 20 0 EDADLP COC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C[C@@H]1CCCO1 ZINC000750046614 579749885 /nfs/dbraw/zinc/74/98/85/579749885.db2.gz FBAOMYSHYCMRPT-INIZCTEOSA-N 2 2 344.415 1.811 20 0 EDADLP COC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C[C@@H]1CCCO1 ZINC000750046614 579749886 /nfs/dbraw/zinc/74/98/86/579749886.db2.gz FBAOMYSHYCMRPT-INIZCTEOSA-N 2 2 344.415 1.811 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000750853219 579783959 /nfs/dbraw/zinc/78/39/59/579783959.db2.gz GKVKMFPZYUXJFP-ZDUSSCGKSA-N 2 2 345.472 1.629 20 0 EDADLP CN(C)c1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccn1 ZINC000754072476 579895582 /nfs/dbraw/zinc/89/55/82/579895582.db2.gz ZKSQGERZYPSZGW-MRXNPFEDSA-N 2 2 331.464 1.062 20 0 EDADLP CN(C)c1cc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)ccn1 ZINC000754072476 579895583 /nfs/dbraw/zinc/89/55/83/579895583.db2.gz ZKSQGERZYPSZGW-MRXNPFEDSA-N 2 2 331.464 1.062 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756123478 579943909 /nfs/dbraw/zinc/94/39/09/579943909.db2.gz WSUULNONUXBGOW-JQWIXIFHSA-N 2 2 343.415 1.088 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756123478 579943910 /nfs/dbraw/zinc/94/39/10/579943910.db2.gz WSUULNONUXBGOW-JQWIXIFHSA-N 2 2 343.415 1.088 20 0 EDADLP Cn1nc(C(F)(F)F)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1Cl ZINC000762791681 580083466 /nfs/dbraw/zinc/08/34/66/580083466.db2.gz UXWDZVNSIWLKRF-LLVKDONJSA-N 2 2 326.750 1.249 20 0 EDADLP Cn1nc(C(F)(F)F)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1Cl ZINC000762791681 580083467 /nfs/dbraw/zinc/08/34/67/580083467.db2.gz UXWDZVNSIWLKRF-LLVKDONJSA-N 2 2 326.750 1.249 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C1([NH+](C)C)CCC1 ZINC000763049058 580091100 /nfs/dbraw/zinc/09/11/00/580091100.db2.gz FDAZSALCEGNVMR-UHFFFAOYSA-N 2 2 344.503 1.751 20 0 EDADLP CNc1ncc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000764632591 580125127 /nfs/dbraw/zinc/12/51/27/580125127.db2.gz MSJOMZZBPUZPHI-ZDUSSCGKSA-N 2 2 337.493 1.425 20 0 EDADLP CNc1ncc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000764632591 580125128 /nfs/dbraw/zinc/12/51/28/580125128.db2.gz MSJOMZZBPUZPHI-ZDUSSCGKSA-N 2 2 337.493 1.425 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2c3cnccc3n(C)c2=O)C1 ZINC000765055922 580134174 /nfs/dbraw/zinc/13/41/74/580134174.db2.gz RWRNWPVYSDZUOI-HNNXBMFYSA-N 2 2 347.463 1.125 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2c3cnccc3n(C)c2=O)C1 ZINC000765055922 580134175 /nfs/dbraw/zinc/13/41/75/580134175.db2.gz RWRNWPVYSDZUOI-HNNXBMFYSA-N 2 2 347.463 1.125 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000767120466 580182237 /nfs/dbraw/zinc/18/22/37/580182237.db2.gz VCVFIPLDQJYWEU-ROUUACIJSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000767120466 580182238 /nfs/dbraw/zinc/18/22/38/580182238.db2.gz VCVFIPLDQJYWEU-ROUUACIJSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C(=O)C[C@](C)(CC)C2=O)C1 ZINC000767972578 580204703 /nfs/dbraw/zinc/20/47/03/580204703.db2.gz VYHNSWARNWUWSV-YJBOKZPZSA-N 2 2 339.480 1.552 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C(=O)C[C@](C)(CC)C2=O)C1 ZINC000767972578 580204704 /nfs/dbraw/zinc/20/47/04/580204704.db2.gz VYHNSWARNWUWSV-YJBOKZPZSA-N 2 2 339.480 1.552 20 0 EDADLP CCN(CCO)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000769415012 580236299 /nfs/dbraw/zinc/23/62/99/580236299.db2.gz MVMHIYUSKGRTST-UHFFFAOYSA-N 2 2 334.508 1.625 20 0 EDADLP C[S@@](=O)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000770510889 580262784 /nfs/dbraw/zinc/26/27/84/580262784.db2.gz UJCIRVZCFBEDJC-WZONZLPQSA-N 2 2 335.517 1.257 20 0 EDADLP C[S@@](=O)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000770510889 580262785 /nfs/dbraw/zinc/26/27/85/580262785.db2.gz UJCIRVZCFBEDJC-WZONZLPQSA-N 2 2 335.517 1.257 20 0 EDADLP CCNS(=O)(=O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000772976251 580324566 /nfs/dbraw/zinc/32/45/66/580324566.db2.gz DQRBELOHSJYXEA-MRXNPFEDSA-N 2 2 339.505 1.568 20 0 EDADLP CCNS(=O)(=O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000772976251 580324567 /nfs/dbraw/zinc/32/45/67/580324567.db2.gz DQRBELOHSJYXEA-MRXNPFEDSA-N 2 2 339.505 1.568 20 0 EDADLP C[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)S(C)(=O)=O ZINC000773102701 580327091 /nfs/dbraw/zinc/32/70/91/580327091.db2.gz HZXJCDJJFGBKGJ-CQSZACIVSA-N 2 2 339.505 1.744 20 0 EDADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000774562818 580365706 /nfs/dbraw/zinc/36/57/06/580365706.db2.gz YVWZNLNKFSOIBC-YOEHRIQHSA-N 2 2 334.420 1.279 20 0 EDADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000774562818 580365707 /nfs/dbraw/zinc/36/57/07/580365707.db2.gz YVWZNLNKFSOIBC-YOEHRIQHSA-N 2 2 334.420 1.279 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(Cl)c3O)C2)CC1 ZINC000775736403 580398991 /nfs/dbraw/zinc/39/89/91/580398991.db2.gz SNNTVQPLIPXIJF-GFCCVEGCSA-N 2 2 337.851 1.944 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(Cl)c3O)C2)CC1 ZINC000775736403 580398992 /nfs/dbraw/zinc/39/89/92/580398992.db2.gz SNNTVQPLIPXIJF-GFCCVEGCSA-N 2 2 337.851 1.944 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000782058019 580565257 /nfs/dbraw/zinc/56/52/57/580565257.db2.gz GRJGTQJFOAMUGB-AWEZNQCLSA-N 2 2 349.479 1.765 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000782058019 580565258 /nfs/dbraw/zinc/56/52/58/580565258.db2.gz GRJGTQJFOAMUGB-AWEZNQCLSA-N 2 2 349.479 1.765 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000783612065 580602209 /nfs/dbraw/zinc/60/22/09/580602209.db2.gz UZNOVFSIABMCES-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000783783569 580606261 /nfs/dbraw/zinc/60/62/61/580606261.db2.gz MRSAZEHKTNWOFQ-CVEARBPZSA-N 2 2 339.480 1.347 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[NH+]2CCC([C@H]3CCCO3)CC2)C1 ZINC000783964697 580609284 /nfs/dbraw/zinc/60/92/84/580609284.db2.gz OWWXKLKCRSYCON-NVXWUHKLSA-N 2 2 332.448 1.585 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000784978828 580633314 /nfs/dbraw/zinc/63/33/14/580633314.db2.gz CDAJFDCTFKNUMC-DOMZBBRYSA-N 2 2 347.463 1.193 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000784978828 580633315 /nfs/dbraw/zinc/63/33/15/580633315.db2.gz CDAJFDCTFKNUMC-DOMZBBRYSA-N 2 2 347.463 1.193 20 0 EDADLP C[NH+](C)Cc1cnc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000796339742 580951417 /nfs/dbraw/zinc/95/14/17/580951417.db2.gz ZCANGEDHXINOPI-UHFFFAOYSA-N 3 2 346.504 1.964 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796355183 580951926 /nfs/dbraw/zinc/95/19/26/580951926.db2.gz DIESVBCJANREML-CQSZACIVSA-N 2 2 329.231 1.797 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C1 ZINC000796355183 580951927 /nfs/dbraw/zinc/95/19/27/580951927.db2.gz DIESVBCJANREML-CQSZACIVSA-N 2 2 329.231 1.797 20 0 EDADLP Cc1cc(C)nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000801094481 581065511 /nfs/dbraw/zinc/06/55/11/581065511.db2.gz LMAOFYFZNGPONW-KRWDZBQOSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1cc(C)nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000801094481 581065512 /nfs/dbraw/zinc/06/55/12/581065512.db2.gz LMAOFYFZNGPONW-KRWDZBQOSA-N 2 2 330.476 1.939 20 0 EDADLP O[C@@H](C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1)C[NH+]1CCCC1 ZINC000801971814 581089275 /nfs/dbraw/zinc/08/92/75/581089275.db2.gz AHRDKAYUTNWBGC-LJQANCHMSA-N 2 2 341.459 1.688 20 0 EDADLP O[C@@H](C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1)C[NH+]1CCCC1 ZINC000801971814 581089276 /nfs/dbraw/zinc/08/92/76/581089276.db2.gz AHRDKAYUTNWBGC-LJQANCHMSA-N 2 2 341.459 1.688 20 0 EDADLP C[C@@H]1CN(c2nc(N)[nH+]c(C(C)(C)C)n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000893046755 590634813 /nfs/dbraw/zinc/63/48/13/590634813.db2.gz HXDUNOBDKGWMOU-KGLIPLIRSA-N 2 2 347.511 1.214 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c12 ZINC000893047311 590634824 /nfs/dbraw/zinc/63/48/24/590634824.db2.gz LKHPDAOYACHLMW-ZBFHGGJFSA-N 2 2 342.491 1.983 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[C@H]1OC ZINC000893047126 590635140 /nfs/dbraw/zinc/63/51/40/590635140.db2.gz KMKQMTLWYHHXSF-OUUBHVDSSA-N 2 2 348.487 1.651 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[C@H]1OC ZINC000893047126 590635143 /nfs/dbraw/zinc/63/51/43/590635143.db2.gz KMKQMTLWYHHXSF-OUUBHVDSSA-N 2 2 348.487 1.651 20 0 EDADLP CN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCC[N@H+](C)C1 ZINC000891829587 590641304 /nfs/dbraw/zinc/64/13/04/590641304.db2.gz OCNHQWHRKRPFNR-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000891829587 590641305 /nfs/dbraw/zinc/64/13/05/590641305.db2.gz OCNHQWHRKRPFNR-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP Cc1cc(N)nc(N2CC[NH+](CCCOCC(F)(F)F)CC2)[nH+]1 ZINC000891985530 590727851 /nfs/dbraw/zinc/72/78/51/590727851.db2.gz GINVONSOVKQGQN-UHFFFAOYSA-N 2 2 333.358 1.458 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000892019701 590751095 /nfs/dbraw/zinc/75/10/95/590751095.db2.gz RIXHDOFLJIDMBS-QZTJIDSGSA-N 2 2 348.491 1.478 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000892019701 590751097 /nfs/dbraw/zinc/75/10/97/590751097.db2.gz RIXHDOFLJIDMBS-QZTJIDSGSA-N 2 2 348.491 1.478 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)[nH+]c12 ZINC000893383528 590821761 /nfs/dbraw/zinc/82/17/61/590821761.db2.gz XMSHUJSFGUYTEH-GASCZTMLSA-N 2 2 327.432 1.388 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)[nH+]c12 ZINC000893383528 590821766 /nfs/dbraw/zinc/82/17/66/590821766.db2.gz XMSHUJSFGUYTEH-GASCZTMLSA-N 2 2 327.432 1.388 20 0 EDADLP COCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000892232707 590877684 /nfs/dbraw/zinc/87/76/84/590877684.db2.gz AVWIVYQGNVWBGL-USXIJHARSA-N 2 2 338.448 1.988 20 0 EDADLP COCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)o1 ZINC000892232707 590877686 /nfs/dbraw/zinc/87/76/86/590877686.db2.gz AVWIVYQGNVWBGL-USXIJHARSA-N 2 2 338.448 1.988 20 0 EDADLP C[NH+](C)[C@@H](CNc1cc[nH+]c(NC[C@H](C2CC2)[NH+](C)C)n1)C1CC1 ZINC000892346151 590975029 /nfs/dbraw/zinc/97/50/29/590975029.db2.gz WHGTZPISGKJHRA-JKSUJKDBSA-N 3 2 332.496 1.981 20 0 EDADLP C[NH+](C)C(C)(C)CNC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892433602 591026761 /nfs/dbraw/zinc/02/67/61/591026761.db2.gz SSKUAKIZTRWPMZ-UHFFFAOYSA-N 2 2 342.528 1.905 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891344483 591051644 /nfs/dbraw/zinc/05/16/44/591051644.db2.gz IUNGXIJRKSWECL-RHSMWYFYSA-N 2 2 326.404 1.351 20 0 EDADLP [NH3+]C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892513986 591054533 /nfs/dbraw/zinc/05/45/33/591054533.db2.gz RCBVDLGMNXPQTQ-CQSZACIVSA-N 2 2 335.477 1.125 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCc2cccc3c2CC[NH2+]C3)c[nH+]1 ZINC000891349109 591054456 /nfs/dbraw/zinc/05/44/56/591054456.db2.gz VKKQGGYFSNFCBJ-UHFFFAOYSA-N 2 2 339.443 1.793 20 0 EDADLP CC(C)([NH3+])CCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892514163 591054736 /nfs/dbraw/zinc/05/47/36/591054736.db2.gz XHQVRXKFVCKYIW-UHFFFAOYSA-N 2 2 337.493 1.561 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000892603498 591090890 /nfs/dbraw/zinc/09/08/90/591090890.db2.gz OHGGYEVJJDFSEH-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000892603498 591090896 /nfs/dbraw/zinc/09/08/96/591090896.db2.gz OHGGYEVJJDFSEH-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP COCC[NH+](CCOC)C1CCN(c2cccc([C@H](C)O)[nH+]2)CC1 ZINC000893837279 591109367 /nfs/dbraw/zinc/10/93/67/591109367.db2.gz LFXCCDNQCKPCHG-HNNXBMFYSA-N 2 2 337.464 1.699 20 0 EDADLP COc1cccc([C@@H](CNC(=O)NCc2cn(C)c[nH+]2)[NH+](C)C)c1 ZINC000891534511 591111700 /nfs/dbraw/zinc/11/17/00/591111700.db2.gz GBASMTDGYDNRQD-MRXNPFEDSA-N 2 2 331.420 1.531 20 0 EDADLP CC(=O)OC[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000892722252 591149050 /nfs/dbraw/zinc/14/90/50/591149050.db2.gz GMEXOOWURZUNSP-OAHLLOKOSA-N 2 2 336.432 1.439 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)[nH+]c12 ZINC000891628994 591157204 /nfs/dbraw/zinc/15/72/04/591157204.db2.gz YEPVAAXLYVVHMI-KBXCAEBGSA-N 2 2 327.432 1.436 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892804689 591184161 /nfs/dbraw/zinc/18/41/61/591184161.db2.gz XVULGIZBNLFPNC-KRWDZBQOSA-N 2 2 327.432 1.629 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891705671 591193778 /nfs/dbraw/zinc/19/37/78/591193778.db2.gz UGDWTGWBCZHKHD-OAHLLOKOSA-N 2 2 342.447 1.252 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)[C@@H]2C1 ZINC000891740182 591205536 /nfs/dbraw/zinc/20/55/36/591205536.db2.gz RAAJAJGKSFWWCE-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)[C@@H]2C1 ZINC000891740182 591205538 /nfs/dbraw/zinc/20/55/38/591205538.db2.gz RAAJAJGKSFWWCE-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000891784143 591223528 /nfs/dbraw/zinc/22/35/28/591223528.db2.gz SZSFKFJAMGUVGX-ZIAGYGMSSA-N 3 2 326.408 1.871 20 0 EDADLP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685467 591252946 /nfs/dbraw/zinc/25/29/46/591252946.db2.gz LZQBQECTDIWUII-PKOBYXMFSA-N 2 2 347.503 1.709 20 0 EDADLP COc1nccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1F ZINC000893031907 591259731 /nfs/dbraw/zinc/25/97/31/591259731.db2.gz YWFIJYZRVRELFW-IBGZPJMESA-N 2 2 345.418 1.956 20 0 EDADLP COc1nccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000893031907 591259734 /nfs/dbraw/zinc/25/97/34/591259734.db2.gz YWFIJYZRVRELFW-IBGZPJMESA-N 2 2 345.418 1.956 20 0 EDADLP C[NH+]1CCC(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000894284716 591265745 /nfs/dbraw/zinc/26/57/45/591265745.db2.gz KLDCUNLMPJBSFC-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP C[NH+]1CCC(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000894284716 591265747 /nfs/dbraw/zinc/26/57/47/591265747.db2.gz KLDCUNLMPJBSFC-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)[nH+]c2cnccc12 ZINC000895768498 591269156 /nfs/dbraw/zinc/26/91/56/591269156.db2.gz CZKZNVDSHBZORG-ZIAGYGMSSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)[nH+]c2cnccc12 ZINC000895768498 591269157 /nfs/dbraw/zinc/26/91/57/591269157.db2.gz CZKZNVDSHBZORG-ZIAGYGMSSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)c2ccncc2[nH+]1 ZINC000895768498 591269159 /nfs/dbraw/zinc/26/91/59/591269159.db2.gz CZKZNVDSHBZORG-ZIAGYGMSSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)c2ccncc2[nH+]1 ZINC000895768498 591269160 /nfs/dbraw/zinc/26/91/60/591269160.db2.gz CZKZNVDSHBZORG-ZIAGYGMSSA-N 3 2 326.448 1.862 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)C(=O)N(C)C ZINC000894393208 591300322 /nfs/dbraw/zinc/30/03/22/591300322.db2.gz IKSZSJNUFUHWAA-SNVBAGLBSA-N 2 2 343.374 1.636 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)on1 ZINC000894453170 591315839 /nfs/dbraw/zinc/31/58/39/591315839.db2.gz RVEWCTZIKCWKRN-JYJNAYRXSA-N 2 2 340.427 1.916 20 0 EDADLP NC(=O)c1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)on1 ZINC000894453170 591315841 /nfs/dbraw/zinc/31/58/41/591315841.db2.gz RVEWCTZIKCWKRN-JYJNAYRXSA-N 2 2 340.427 1.916 20 0 EDADLP COC(=O)[C@H]1[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1(F)F ZINC000894670902 591382274 /nfs/dbraw/zinc/38/22/74/591382274.db2.gz OBQWOKNVXZNNMC-MELADBBJSA-N 2 2 332.391 1.085 20 0 EDADLP COC(=O)[C@H]1[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1(F)F ZINC000894670902 591382279 /nfs/dbraw/zinc/38/22/79/591382279.db2.gz OBQWOKNVXZNNMC-MELADBBJSA-N 2 2 332.391 1.085 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC4(CCC4)O3)C2)CC1 ZINC000896324339 591418079 /nfs/dbraw/zinc/41/80/79/591418079.db2.gz ATCGBYCUTMLZSN-DOTOQJQBSA-N 2 2 335.492 1.763 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3CCC4(CCC4)O3)C2)CC1 ZINC000896324339 591418082 /nfs/dbraw/zinc/41/80/82/591418082.db2.gz ATCGBYCUTMLZSN-DOTOQJQBSA-N 2 2 335.492 1.763 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4[nH]cnc4c3F)C2)CC1 ZINC000896325672 591418937 /nfs/dbraw/zinc/41/89/37/591418937.db2.gz RNDUGPPLDXHXEZ-LBPRGKRZSA-N 2 2 345.422 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4[nH]cnc4c3F)C2)CC1 ZINC000896325672 591418938 /nfs/dbraw/zinc/41/89/38/591418938.db2.gz RNDUGPPLDXHXEZ-LBPRGKRZSA-N 2 2 345.422 1.600 20 0 EDADLP C[C@H]1CCc2[nH]nc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000896324873 591419364 /nfs/dbraw/zinc/41/93/64/591419364.db2.gz KVTNBFVRAPBWGX-KBPBESRZSA-N 2 2 345.491 1.433 20 0 EDADLP C[C@H]1CCc2[nH]nc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000896324873 591419368 /nfs/dbraw/zinc/41/93/68/591419368.db2.gz KVTNBFVRAPBWGX-KBPBESRZSA-N 2 2 345.491 1.433 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898590463 591419822 /nfs/dbraw/zinc/41/98/22/591419822.db2.gz HJTIVGNQXJIMGT-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898590463 591419826 /nfs/dbraw/zinc/41/98/26/591419826.db2.gz HJTIVGNQXJIMGT-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)N2CC([NH+]3CCCC3)C2)c2ccccc2)CC1 ZINC000898609648 591437012 /nfs/dbraw/zinc/43/70/12/591437012.db2.gz CPKKMFNRULSLAE-LJQANCHMSA-N 2 2 342.487 1.282 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N2CCC23CC[NH+](C)CC3)n1 ZINC000896595098 591545998 /nfs/dbraw/zinc/54/59/98/591545998.db2.gz NQYFGYAXTCARBI-UHFFFAOYSA-N 2 2 337.493 1.584 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1 ZINC000898883233 591576629 /nfs/dbraw/zinc/57/66/29/591576629.db2.gz HFWJCFRSKRUARE-INIZCTEOSA-N 2 2 330.432 1.725 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000898883000 591576653 /nfs/dbraw/zinc/57/66/53/591576653.db2.gz FPRMWLMPMFNECT-IAGOWNOFSA-N 2 2 342.443 1.482 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000898883000 591576655 /nfs/dbraw/zinc/57/66/55/591576655.db2.gz FPRMWLMPMFNECT-IAGOWNOFSA-N 2 2 342.443 1.482 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000898883769 591577499 /nfs/dbraw/zinc/57/74/99/591577499.db2.gz KPUWYDAEMGLEDM-DLBZAZTESA-N 2 2 342.443 1.624 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000898883769 591577502 /nfs/dbraw/zinc/57/75/02/591577502.db2.gz KPUWYDAEMGLEDM-DLBZAZTESA-N 2 2 342.443 1.624 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H](CO)c3c[nH+]cn3C)CC2)[nH+]c1 ZINC000898886266 591579117 /nfs/dbraw/zinc/57/91/17/591579117.db2.gz YPDGRWSQWHSIHL-HNNXBMFYSA-N 2 2 343.431 1.190 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000895117020 591596731 /nfs/dbraw/zinc/59/67/31/591596731.db2.gz ZGBHXZCYISXEDP-SPUZQDLCSA-N 2 2 336.501 1.745 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000895117020 591596732 /nfs/dbraw/zinc/59/67/32/591596732.db2.gz ZGBHXZCYISXEDP-SPUZQDLCSA-N 2 2 336.501 1.745 20 0 EDADLP Cc1[nH+]cc(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)n1C ZINC000896741379 591598676 /nfs/dbraw/zinc/59/86/76/591598676.db2.gz CHVFTIKIILLKQC-UHFFFAOYSA-N 2 2 326.404 1.633 20 0 EDADLP O=c1cc[nH]c2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc12 ZINC000895204075 591655595 /nfs/dbraw/zinc/65/55/95/591655595.db2.gz CWGXQSUKNJSCMH-MRXNPFEDSA-N 2 2 327.428 1.871 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C[C@]2(C)C1 ZINC000896914682 591678333 /nfs/dbraw/zinc/67/83/33/591678333.db2.gz OJZPMUVUGILBCZ-DAYGRLMNSA-N 2 2 331.464 1.073 20 0 EDADLP C[N@H+]1C[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C[C@]2(C)C1 ZINC000896914682 591678335 /nfs/dbraw/zinc/67/83/35/591678335.db2.gz OJZPMUVUGILBCZ-DAYGRLMNSA-N 2 2 331.464 1.073 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)C[C@]2(C)C1 ZINC000896914682 591678339 /nfs/dbraw/zinc/67/83/39/591678339.db2.gz OJZPMUVUGILBCZ-DAYGRLMNSA-N 2 2 331.464 1.073 20 0 EDADLP C[N@H+]1C[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)C[C@]2(C)C1 ZINC000896914682 591678344 /nfs/dbraw/zinc/67/83/44/591678344.db2.gz OJZPMUVUGILBCZ-DAYGRLMNSA-N 2 2 331.464 1.073 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)C(C)C ZINC000897876989 591703407 /nfs/dbraw/zinc/70/34/07/591703407.db2.gz PQSCDTHSFSEINL-HOTGVXAUSA-N 2 2 339.480 1.297 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1)C(C)C ZINC000897876989 591703412 /nfs/dbraw/zinc/70/34/12/591703412.db2.gz PQSCDTHSFSEINL-HOTGVXAUSA-N 2 2 339.480 1.297 20 0 EDADLP C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000899254075 591746015 /nfs/dbraw/zinc/74/60/15/591746015.db2.gz NSBPZOSFIYBVNH-HWLIBYHHSA-N 2 2 342.443 1.154 20 0 EDADLP C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000899254075 591746018 /nfs/dbraw/zinc/74/60/18/591746018.db2.gz NSBPZOSFIYBVNH-HWLIBYHHSA-N 2 2 342.443 1.154 20 0 EDADLP C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000899254075 591746020 /nfs/dbraw/zinc/74/60/20/591746020.db2.gz NSBPZOSFIYBVNH-HWLIBYHHSA-N 2 2 342.443 1.154 20 0 EDADLP C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000899254075 591746023 /nfs/dbraw/zinc/74/60/23/591746023.db2.gz NSBPZOSFIYBVNH-HWLIBYHHSA-N 2 2 342.443 1.154 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)[nH+]1 ZINC000895566301 591807407 /nfs/dbraw/zinc/80/74/07/591807407.db2.gz IXXKUVWPZOQNBB-VXGBXAGGSA-N 2 2 331.449 1.236 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)[nH+]1 ZINC000895566301 591807408 /nfs/dbraw/zinc/80/74/08/591807408.db2.gz IXXKUVWPZOQNBB-VXGBXAGGSA-N 2 2 331.449 1.236 20 0 EDADLP CCC1([NH+]2CCC2)CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000899563161 591852914 /nfs/dbraw/zinc/85/29/14/591852914.db2.gz WDQPPEQFAPQAKN-UHFFFAOYSA-N 2 2 340.431 1.753 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000900018177 591869757 /nfs/dbraw/zinc/86/97/57/591869757.db2.gz BQGDMTJNCBOPIJ-IBGZPJMESA-N 2 2 346.519 1.822 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000900061621 591890415 /nfs/dbraw/zinc/89/04/15/591890415.db2.gz HNEZYNWBCNKUKW-AEFFLSMTSA-N 2 2 328.416 1.003 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000900061621 591890418 /nfs/dbraw/zinc/89/04/18/591890418.db2.gz HNEZYNWBCNKUKW-AEFFLSMTSA-N 2 2 328.416 1.003 20 0 EDADLP O=C1c2ccccc2CN1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000902058877 591910571 /nfs/dbraw/zinc/91/05/71/591910571.db2.gz OPUSOCUPXPCNGI-UHFFFAOYSA-N 2 2 329.444 1.644 20 0 EDADLP Cc1[nH+]c2ccccn2c1CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000900178895 591930129 /nfs/dbraw/zinc/93/01/29/591930129.db2.gz QSNQKFFRYHIHJV-CQSZACIVSA-N 2 2 341.415 1.549 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)C2=O ZINC000902193505 591941790 /nfs/dbraw/zinc/94/17/90/591941790.db2.gz ARBSGVMTBCRZDT-HSSOGYSNSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)C2=O ZINC000902193505 591941791 /nfs/dbraw/zinc/94/17/91/591941791.db2.gz ARBSGVMTBCRZDT-HSSOGYSNSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)C2=O ZINC000902193505 591941793 /nfs/dbraw/zinc/94/17/93/591941793.db2.gz ARBSGVMTBCRZDT-HSSOGYSNSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)C2=O ZINC000902193505 591941795 /nfs/dbraw/zinc/94/17/95/591941795.db2.gz ARBSGVMTBCRZDT-HSSOGYSNSA-N 2 2 345.487 1.924 20 0 EDADLP COCC[C@@H]1CCN(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1=O ZINC000902196862 591942903 /nfs/dbraw/zinc/94/29/03/591942903.db2.gz TUGRYAGILRSOMD-YLFCFFPRSA-N 2 2 339.480 1.012 20 0 EDADLP COCC[C@@H]1CCN(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1=O ZINC000902196862 591942905 /nfs/dbraw/zinc/94/29/05/591942905.db2.gz TUGRYAGILRSOMD-YLFCFFPRSA-N 2 2 339.480 1.012 20 0 EDADLP C/C(=C\C(=O)N1CC[NH+](Cc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC000899909079 591975512 /nfs/dbraw/zinc/97/55/12/591975512.db2.gz JICYFWBUGSOGAN-OBGWFSINSA-N 2 2 343.471 1.609 20 0 EDADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc(S(N)(=O)=O)c1 ZINC000902439383 591995983 /nfs/dbraw/zinc/99/59/83/591995983.db2.gz RHIFCPLHDCYKRI-YMRXKLBXSA-N 2 2 331.441 1.609 20 0 EDADLP Fc1ccccc1Oc1nc(N2CC[NH2+]CC[NH2+]CC2)ncc1F ZINC000900368654 591998826 /nfs/dbraw/zinc/99/88/26/591998826.db2.gz ISGSYQQQSDOIIM-UHFFFAOYSA-N 2 2 335.358 1.546 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[NH2+]CC[NH2+]CC2)cc[nH+]1 ZINC000900368848 591998831 /nfs/dbraw/zinc/99/88/31/591998831.db2.gz LUNCXJWOLOXGLW-RDJZCZTQSA-N 3 2 348.495 1.091 20 0 EDADLP O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000902456897 591999270 /nfs/dbraw/zinc/99/92/70/591999270.db2.gz QQVZOUJFGKNODM-NSHDSACASA-N 2 2 325.210 1.049 20 0 EDADLP COC1(C(N)=[NH+]OCC(=O)NC2CC[NH+](C(C)C)CC2)CCCC1 ZINC000902598300 592022057 /nfs/dbraw/zinc/02/20/57/592022057.db2.gz LTEQRWMSBOEUKI-UHFFFAOYSA-N 2 2 340.468 1.433 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902786357 592063761 /nfs/dbraw/zinc/06/37/61/592063761.db2.gz MUEZWVGMGNGCPU-KHHDSSOXSA-N 2 2 335.492 1.332 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902786357 592063764 /nfs/dbraw/zinc/06/37/64/592063764.db2.gz MUEZWVGMGNGCPU-KHHDSSOXSA-N 2 2 335.492 1.332 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)nn1 ZINC000902862340 592077248 /nfs/dbraw/zinc/07/72/48/592077248.db2.gz ZJNORDYFQFUSKC-KBPBESRZSA-N 2 2 344.467 1.839 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000900760280 592109294 /nfs/dbraw/zinc/10/92/94/592109294.db2.gz TXOTUQLQXZGSHD-CQSZACIVSA-N 2 2 332.448 1.662 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)cc[nH+]1 ZINC000903088511 592117832 /nfs/dbraw/zinc/11/78/32/592117832.db2.gz ZMDYVDJEMFVGDD-MOPGFXCFSA-N 3 2 346.475 1.131 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCO[C@]23CCOC3)CCC[N@@H+]1C ZINC000903167493 592132549 /nfs/dbraw/zinc/13/25/49/592132549.db2.gz ZFQIXCXTVVAFTC-OWLYRPNTSA-N 2 2 334.464 1.341 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCO[C@]23CCOC3)CCC[N@H+]1C ZINC000903167493 592132550 /nfs/dbraw/zinc/13/25/50/592132550.db2.gz ZFQIXCXTVVAFTC-OWLYRPNTSA-N 2 2 334.464 1.341 20 0 EDADLP C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903285464 592148899 /nfs/dbraw/zinc/14/88/99/592148899.db2.gz KPOJHMIFGGMSOX-CRAIPNDOSA-N 2 2 330.432 1.216 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000903299915 592153238 /nfs/dbraw/zinc/15/32/38/592153238.db2.gz DIFRDKFOQKLGHW-HEHGZKQESA-N 2 2 333.432 1.873 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000903299915 592153239 /nfs/dbraw/zinc/15/32/39/592153239.db2.gz DIFRDKFOQKLGHW-HEHGZKQESA-N 2 2 333.432 1.873 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000903428079 592168406 /nfs/dbraw/zinc/16/84/06/592168406.db2.gz CUEJFJYGRPTRLH-RDJZCZTQSA-N 2 2 342.443 1.592 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000903428079 592168408 /nfs/dbraw/zinc/16/84/08/592168408.db2.gz CUEJFJYGRPTRLH-RDJZCZTQSA-N 2 2 342.443 1.592 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000903438480 592170158 /nfs/dbraw/zinc/17/01/58/592170158.db2.gz WILHEKALNHSLET-ZIFCJYIRSA-N 2 2 342.487 1.265 20 0 EDADLP O=C(CN[C@H]1CC[NH2+]C12CCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000903472474 592175534 /nfs/dbraw/zinc/17/55/34/592175534.db2.gz ZIFBRSIQRKXCEV-INIZCTEOSA-N 2 2 348.516 1.267 20 0 EDADLP CCc1nc(C)c(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)n1 ZINC000900954815 592183809 /nfs/dbraw/zinc/18/38/09/592183809.db2.gz MGZCBBRGNOCPOJ-UHFFFAOYSA-N 2 2 347.507 1.341 20 0 EDADLP CCCCc1nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)no1 ZINC000903524952 592197873 /nfs/dbraw/zinc/19/78/73/592197873.db2.gz GNJZMDDVICQFSH-DYVFJYSZSA-N 2 2 335.452 1.149 20 0 EDADLP Cc1[nH]c(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000900997409 592200759 /nfs/dbraw/zinc/20/07/59/592200759.db2.gz MVNDNSQSEBLVDS-GOSISDBHSA-N 2 2 328.416 1.280 20 0 EDADLP Cc1[nH]c(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000900997409 592200761 /nfs/dbraw/zinc/20/07/61/592200761.db2.gz MVNDNSQSEBLVDS-GOSISDBHSA-N 2 2 328.416 1.280 20 0 EDADLP CCc1cccc(CC)c1S(=O)(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903566712 592212644 /nfs/dbraw/zinc/21/26/44/592212644.db2.gz ZBOJELLTNJVLRT-UHFFFAOYSA-N 2 2 339.505 1.513 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)C3CN(C)CC[N@H+](C)C3)CC[NH2+]2)cc1 ZINC000908012914 592263030 /nfs/dbraw/zinc/26/30/30/592263030.db2.gz MNUJYVXXXSPIRD-LJQANCHMSA-N 2 2 344.503 1.215 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)C3CN(C)CC[N@@H+](C)C3)CC[NH2+]2)cc1 ZINC000908012914 592263036 /nfs/dbraw/zinc/26/30/36/592263036.db2.gz MNUJYVXXXSPIRD-LJQANCHMSA-N 2 2 344.503 1.215 20 0 EDADLP [NH3+]CCCSCCc1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000904645993 592303195 /nfs/dbraw/zinc/30/31/95/592303195.db2.gz ZXOOEQNSJIHNOK-QWHCGFSZSA-N 2 2 326.466 1.620 20 0 EDADLP [NH3+]CCCSCCc1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000904645993 592303198 /nfs/dbraw/zinc/30/31/98/592303198.db2.gz ZXOOEQNSJIHNOK-QWHCGFSZSA-N 2 2 326.466 1.620 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000908118622 592331009 /nfs/dbraw/zinc/33/10/09/592331009.db2.gz NOPAGJXCAUPLQM-CYBMUJFWSA-N 2 2 343.431 1.216 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000903853255 592346134 /nfs/dbraw/zinc/34/61/34/592346134.db2.gz DVVREPXEUDERLT-DNVCBOLYSA-N 2 2 346.450 1.288 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000903853255 592346137 /nfs/dbraw/zinc/34/61/37/592346137.db2.gz DVVREPXEUDERLT-DNVCBOLYSA-N 2 2 346.450 1.288 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cnn1C ZINC000903889638 592350922 /nfs/dbraw/zinc/35/09/22/592350922.db2.gz URYHKKGHJPOTSB-DLBZAZTESA-N 3 2 342.491 1.675 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cnn1C ZINC000903889638 592350928 /nfs/dbraw/zinc/35/09/28/592350928.db2.gz URYHKKGHJPOTSB-DLBZAZTESA-N 3 2 342.491 1.675 20 0 EDADLP C[N@H+](CCOc1ccccc1F)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903878097 592358579 /nfs/dbraw/zinc/35/85/79/592358579.db2.gz QLHGZOARCKZSGM-AWEZNQCLSA-N 2 2 333.411 1.853 20 0 EDADLP C[N@@H+](CCOc1ccccc1F)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903878097 592358584 /nfs/dbraw/zinc/35/85/84/592358584.db2.gz QLHGZOARCKZSGM-AWEZNQCLSA-N 2 2 333.411 1.853 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCO[C@H](c3ccsc3)C2)cnn1C ZINC000903896720 592367820 /nfs/dbraw/zinc/36/78/20/592367820.db2.gz DPHOXOKSWYBCHY-YOEHRIQHSA-N 2 2 334.489 1.981 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCO[C@H](c3ccsc3)C2)cnn1C ZINC000903896720 592367824 /nfs/dbraw/zinc/36/78/24/592367824.db2.gz DPHOXOKSWYBCHY-YOEHRIQHSA-N 2 2 334.489 1.981 20 0 EDADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(C[C@H]([NH3+])CC(F)F)CC2)n1 ZINC000903898724 592369750 /nfs/dbraw/zinc/36/97/50/592369750.db2.gz ODTOPELVVFTTGL-NWDGAFQWSA-N 2 2 347.410 1.267 20 0 EDADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(C[C@H]([NH3+])CC(F)F)CC2)n1 ZINC000903898724 592369754 /nfs/dbraw/zinc/36/97/54/592369754.db2.gz ODTOPELVVFTTGL-NWDGAFQWSA-N 2 2 347.410 1.267 20 0 EDADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956418 592395845 /nfs/dbraw/zinc/39/58/45/592395845.db2.gz LDJWCXJZLZHZJV-STQMWFEESA-N 2 2 332.416 1.683 20 0 EDADLP COC(=O)COc1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903972738 592397204 /nfs/dbraw/zinc/39/72/04/592397204.db2.gz KXTXCFBVXKJZPG-INIZCTEOSA-N 2 2 348.443 1.487 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C[C@]1(O)CCOC1 ZINC000905071047 592402305 /nfs/dbraw/zinc/40/23/05/592402305.db2.gz MTFCKRDDOAGUSB-HSALFYBXSA-N 2 2 348.487 1.533 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)C[C@]1(O)CCOC1 ZINC000905071047 592402312 /nfs/dbraw/zinc/40/23/12/592402312.db2.gz MTFCKRDDOAGUSB-HSALFYBXSA-N 2 2 348.487 1.533 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H]3C[C@@H](C)[NH+](C4CC4)C3)co2)C1 ZINC000906940929 592420988 /nfs/dbraw/zinc/42/09/88/592420988.db2.gz KNWOCYWTDSTUSH-NFAWXSAZSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H]3C[C@@H](C)[NH+](C4CC4)C3)co2)C1 ZINC000906940929 592420991 /nfs/dbraw/zinc/42/09/91/592420991.db2.gz KNWOCYWTDSTUSH-NFAWXSAZSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)co2)C1 ZINC000906940929 592420993 /nfs/dbraw/zinc/42/09/93/592420993.db2.gz KNWOCYWTDSTUSH-NFAWXSAZSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)co2)C1 ZINC000906940929 592420996 /nfs/dbraw/zinc/42/09/96/592420996.db2.gz KNWOCYWTDSTUSH-NFAWXSAZSA-N 2 2 348.447 1.250 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905178733 592441035 /nfs/dbraw/zinc/44/10/35/592441035.db2.gz CZBUNODJKFVOHU-CRAIPNDOSA-N 2 2 349.475 1.099 20 0 EDADLP C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000905337936 592510008 /nfs/dbraw/zinc/51/00/08/592510008.db2.gz NGXZUXCGJLBUCR-AWEZNQCLSA-N 2 2 348.472 1.852 20 0 EDADLP O=S(=O)(CC1CC[NH2+]CC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000905363041 592515735 /nfs/dbraw/zinc/51/57/35/592515735.db2.gz UJSSGKDRQQYRHA-UHFFFAOYSA-N 2 2 338.477 1.287 20 0 EDADLP Cc1ccc([C@H](O)C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000905446149 592528495 /nfs/dbraw/zinc/52/84/95/592528495.db2.gz DQJUZXIMXPMRLA-VQTJNVASSA-N 2 2 347.503 1.415 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@]3(C)C[C@H](O)C[NH+]3C)sc2C1 ZINC000907320489 592601817 /nfs/dbraw/zinc/60/18/17/592601817.db2.gz KHSLAYXTUMURND-MEDUHNTESA-N 2 2 338.477 1.303 20 0 EDADLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@]3(C)C[C@H](O)C[NH+]3C)sc2C1 ZINC000907320489 592601820 /nfs/dbraw/zinc/60/18/20/592601820.db2.gz KHSLAYXTUMURND-MEDUHNTESA-N 2 2 338.477 1.303 20 0 EDADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)sc2C1 ZINC000907320489 592601822 /nfs/dbraw/zinc/60/18/22/592601822.db2.gz KHSLAYXTUMURND-MEDUHNTESA-N 2 2 338.477 1.303 20 0 EDADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)sc2C1 ZINC000907320489 592601824 /nfs/dbraw/zinc/60/18/24/592601824.db2.gz KHSLAYXTUMURND-MEDUHNTESA-N 2 2 338.477 1.303 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)sc2C1 ZINC000907320487 592601964 /nfs/dbraw/zinc/60/19/64/592601964.db2.gz KHSLAYXTUMURND-BDJLRTHQSA-N 2 2 338.477 1.303 20 0 EDADLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)sc2C1 ZINC000907320487 592601966 /nfs/dbraw/zinc/60/19/66/592601966.db2.gz KHSLAYXTUMURND-BDJLRTHQSA-N 2 2 338.477 1.303 20 0 EDADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)sc2C1 ZINC000907320487 592601969 /nfs/dbraw/zinc/60/19/69/592601969.db2.gz KHSLAYXTUMURND-BDJLRTHQSA-N 2 2 338.477 1.303 20 0 EDADLP CC(C)[NH+]1CCc2nc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)sc2C1 ZINC000907320487 592601973 /nfs/dbraw/zinc/60/19/73/592601973.db2.gz KHSLAYXTUMURND-BDJLRTHQSA-N 2 2 338.477 1.303 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905919093 592681595 /nfs/dbraw/zinc/68/15/95/592681595.db2.gz KAVPNAJLIGHECX-LULLPPNCSA-N 2 2 334.460 1.314 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905919093 592681598 /nfs/dbraw/zinc/68/15/98/592681598.db2.gz KAVPNAJLIGHECX-LULLPPNCSA-N 2 2 334.460 1.314 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905925577 592684760 /nfs/dbraw/zinc/68/47/60/592684760.db2.gz USOKTWUAQKQDGC-KSSFIOAISA-N 2 2 333.432 1.091 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000907527625 592688895 /nfs/dbraw/zinc/68/88/95/592688895.db2.gz YNRZBRWQKROHSH-INIZCTEOSA-N 2 2 333.480 1.120 20 0 EDADLP Cn1ccc(-n2cc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)nn2)n1 ZINC000906270959 592770296 /nfs/dbraw/zinc/77/02/96/592770296.db2.gz GFQPHGCZABLTJH-CQSZACIVSA-N 2 2 338.419 1.330 20 0 EDADLP Cn1ccc(-n2cc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)nn2)n1 ZINC000906270959 592770299 /nfs/dbraw/zinc/77/02/99/592770299.db2.gz GFQPHGCZABLTJH-CQSZACIVSA-N 2 2 338.419 1.330 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cn(-c2ccccc2F)nn1 ZINC000906290705 592781693 /nfs/dbraw/zinc/78/16/93/592781693.db2.gz RGYMZMWZLXDXEF-UHFFFAOYSA-N 2 2 346.454 1.476 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000906588779 592853122 /nfs/dbraw/zinc/85/31/22/592853122.db2.gz YGYZVYURNJOQJC-KRWDZBQOSA-N 2 2 347.507 1.576 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000906588779 592853124 /nfs/dbraw/zinc/85/31/24/592853124.db2.gz YGYZVYURNJOQJC-KRWDZBQOSA-N 2 2 347.507 1.576 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[NH+](Cc3nccn3C)CC2)C1 ZINC000906588779 592853126 /nfs/dbraw/zinc/85/31/26/592853126.db2.gz YGYZVYURNJOQJC-KRWDZBQOSA-N 2 2 347.507 1.576 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[NH+](Cc3nccn3C)CC2)C1 ZINC000906588779 592853128 /nfs/dbraw/zinc/85/31/28/592853128.db2.gz YGYZVYURNJOQJC-KRWDZBQOSA-N 2 2 347.507 1.576 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@H+](Cc3nccn3C)CC2)C1 ZINC000906588779 592853130 /nfs/dbraw/zinc/85/31/30/592853130.db2.gz YGYZVYURNJOQJC-KRWDZBQOSA-N 2 2 347.507 1.576 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3nccn3C)CC2)C1 ZINC000906588779 592853132 /nfs/dbraw/zinc/85/31/32/592853132.db2.gz YGYZVYURNJOQJC-KRWDZBQOSA-N 2 2 347.507 1.576 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000906641310 592864857 /nfs/dbraw/zinc/86/48/57/592864857.db2.gz FQYZUGGNIAZAJY-MSOLQXFVSA-N 2 2 337.508 1.822 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000906641310 592864858 /nfs/dbraw/zinc/86/48/58/592864858.db2.gz FQYZUGGNIAZAJY-MSOLQXFVSA-N 2 2 337.508 1.822 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910843548 592895961 /nfs/dbraw/zinc/89/59/61/592895961.db2.gz SIQYLJCRCKTFNU-AWEZNQCLSA-N 2 2 347.463 1.026 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910843548 592895962 /nfs/dbraw/zinc/89/59/62/592895962.db2.gz SIQYLJCRCKTFNU-AWEZNQCLSA-N 2 2 347.463 1.026 20 0 EDADLP COc1ccc2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnc2c1 ZINC000912388601 593091859 /nfs/dbraw/zinc/09/18/59/593091859.db2.gz YFAZKSWOJDFMEG-UHFFFAOYSA-N 2 2 344.459 1.857 20 0 EDADLP COc1ccc2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnc2c1 ZINC000912388601 593091860 /nfs/dbraw/zinc/09/18/60/593091860.db2.gz YFAZKSWOJDFMEG-UHFFFAOYSA-N 2 2 344.459 1.857 20 0 EDADLP CCc1nc(C)c(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000912388033 593091862 /nfs/dbraw/zinc/09/18/62/593091862.db2.gz UNVBXBHZGVYGAO-UHFFFAOYSA-N 2 2 335.496 1.198 20 0 EDADLP CCc1nc(C)c(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000912388033 593091863 /nfs/dbraw/zinc/09/18/63/593091863.db2.gz UNVBXBHZGVYGAO-UHFFFAOYSA-N 2 2 335.496 1.198 20 0 EDADLP CC[C@H]1CC[N@@H+]1CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840078394 593124454 /nfs/dbraw/zinc/12/44/54/593124454.db2.gz UPGJIWRYCFJVRZ-YESZJQIVSA-N 2 2 327.428 1.545 20 0 EDADLP CC[C@H]1CC[N@H+]1CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840078394 593124455 /nfs/dbraw/zinc/12/44/55/593124455.db2.gz UPGJIWRYCFJVRZ-YESZJQIVSA-N 2 2 327.428 1.545 20 0 EDADLP CC[C@H]1CC[NH+]1CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840078394 593124456 /nfs/dbraw/zinc/12/44/56/593124456.db2.gz UPGJIWRYCFJVRZ-YESZJQIVSA-N 2 2 327.428 1.545 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C(=O)[C@]4(CCCO4)[C@H]3C3CC3)C2)C1 ZINC000840085533 593152597 /nfs/dbraw/zinc/15/25/97/593152597.db2.gz FJPLKJSHFUPPQW-NEWSRXKRSA-N 2 2 333.476 1.532 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C(=O)[C@]4(CCCO4)[C@H]3C3CC3)C2)C1 ZINC000840085533 593152598 /nfs/dbraw/zinc/15/25/98/593152598.db2.gz FJPLKJSHFUPPQW-NEWSRXKRSA-N 2 2 333.476 1.532 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C(=O)[C@]4(CCCO4)[C@H]3C3CC3)C2)C1 ZINC000840085533 593152599 /nfs/dbraw/zinc/15/25/99/593152599.db2.gz FJPLKJSHFUPPQW-NEWSRXKRSA-N 2 2 333.476 1.532 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C(=O)[C@]4(CCCO4)[C@H]3C3CC3)C2)C1 ZINC000840085533 593152600 /nfs/dbraw/zinc/15/26/00/593152600.db2.gz FJPLKJSHFUPPQW-NEWSRXKRSA-N 2 2 333.476 1.532 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CN3CC(C)(C)CC3=O)CC2)CC1 ZINC000808171455 593233393 /nfs/dbraw/zinc/23/33/93/593233393.db2.gz IYTWRAKESFTEBO-UHFFFAOYSA-N 2 2 336.524 1.693 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)C1 ZINC000802735598 593274355 /nfs/dbraw/zinc/27/43/55/593274355.db2.gz AJYBFDGABNFHDN-ACJLOTCBSA-N 2 2 345.447 1.668 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)C1 ZINC000802735598 593274358 /nfs/dbraw/zinc/27/43/58/593274358.db2.gz AJYBFDGABNFHDN-ACJLOTCBSA-N 2 2 345.447 1.668 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000809623717 593350740 /nfs/dbraw/zinc/35/07/40/593350740.db2.gz ALUJUYRYXGOHIF-PBHICJAKSA-N 2 2 327.432 1.840 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C3(CCC3)[C@H]2[C@H]2CCCO2)C1 ZINC000811759395 593479739 /nfs/dbraw/zinc/47/97/39/593479739.db2.gz PWAWMWXWFWQKLP-BRSBDYLESA-N 2 2 347.503 1.920 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C3(CCC3)[C@H]2[C@H]2CCCO2)C1 ZINC000811759395 593479740 /nfs/dbraw/zinc/47/97/40/593479740.db2.gz PWAWMWXWFWQKLP-BRSBDYLESA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)C3(CCC3)[C@H]2[C@H]2CCCO2)C1 ZINC000811759395 593479741 /nfs/dbraw/zinc/47/97/41/593479741.db2.gz PWAWMWXWFWQKLP-BRSBDYLESA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)C3(CCC3)[C@H]2[C@H]2CCCO2)C1 ZINC000811759395 593479742 /nfs/dbraw/zinc/47/97/42/593479742.db2.gz PWAWMWXWFWQKLP-BRSBDYLESA-N 2 2 347.503 1.920 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)C1 ZINC000811776753 593481425 /nfs/dbraw/zinc/48/14/25/593481425.db2.gz GDEXIYMPUBSQOX-UNEWFSDZSA-N 2 2 332.448 1.583 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)C1 ZINC000811776753 593481426 /nfs/dbraw/zinc/48/14/26/593481426.db2.gz GDEXIYMPUBSQOX-UNEWFSDZSA-N 2 2 332.448 1.583 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000812748680 593508653 /nfs/dbraw/zinc/50/86/53/593508653.db2.gz RJTIXBZXDJIGHS-OAHLLOKOSA-N 2 2 341.452 1.224 20 0 EDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000816862018 593554105 /nfs/dbraw/zinc/55/41/05/593554105.db2.gz SQXFPWIYOVXORM-UHFFFAOYSA-N 2 2 341.459 1.589 20 0 EDADLP CC[C@@H](C)CONC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000813821870 593556563 /nfs/dbraw/zinc/55/65/63/593556563.db2.gz AHIZGJHYZKXRNE-ZBFHGGJFSA-N 2 2 326.485 1.774 20 0 EDADLP CC[C@@H](C)CONC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000813821870 593556565 /nfs/dbraw/zinc/55/65/65/593556565.db2.gz AHIZGJHYZKXRNE-ZBFHGGJFSA-N 2 2 326.485 1.774 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000817274720 593587307 /nfs/dbraw/zinc/58/73/07/593587307.db2.gz PRIGJIVVNXOVJI-UHFFFAOYSA-N 2 2 332.444 1.858 20 0 EDADLP FC(F)[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000817276424 593587633 /nfs/dbraw/zinc/58/76/33/593587633.db2.gz DPGXMAIAYQSMLU-MRXNPFEDSA-N 2 2 326.387 1.985 20 0 EDADLP FC(F)[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000817276424 593587635 /nfs/dbraw/zinc/58/76/35/593587635.db2.gz DPGXMAIAYQSMLU-MRXNPFEDSA-N 2 2 326.387 1.985 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1C[NH3+] ZINC000817880499 593643819 /nfs/dbraw/zinc/64/38/19/593643819.db2.gz XEHHRLVZRDSELO-AGIUHOORSA-N 2 2 329.466 1.335 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1C[NH3+] ZINC000817880499 593643820 /nfs/dbraw/zinc/64/38/20/593643820.db2.gz XEHHRLVZRDSELO-AGIUHOORSA-N 2 2 329.466 1.335 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000819038852 593735118 /nfs/dbraw/zinc/73/51/18/593735118.db2.gz JREBHXJMRMWSKM-GJZGRUSLSA-N 2 2 327.469 1.336 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000819038852 593735119 /nfs/dbraw/zinc/73/51/19/593735119.db2.gz JREBHXJMRMWSKM-GJZGRUSLSA-N 2 2 327.469 1.336 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000819076923 593737408 /nfs/dbraw/zinc/73/74/08/593737408.db2.gz HCJLLJIZSVORDP-PKOBYXMFSA-N 2 2 333.476 1.025 20 0 EDADLP COc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)cc1C ZINC000819293451 593748938 /nfs/dbraw/zinc/74/89/38/593748938.db2.gz QTJZWKMKXDXFHT-DLBZAZTESA-N 2 2 347.459 1.541 20 0 EDADLP COc1ccc(C2=NO[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1C ZINC000819293451 593748939 /nfs/dbraw/zinc/74/89/39/593748939.db2.gz QTJZWKMKXDXFHT-DLBZAZTESA-N 2 2 347.459 1.541 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000819322688 593750673 /nfs/dbraw/zinc/75/06/73/593750673.db2.gz VPIRDPMKUZGAIT-AWEZNQCLSA-N 2 2 327.432 1.951 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000819322688 593750674 /nfs/dbraw/zinc/75/06/74/593750674.db2.gz VPIRDPMKUZGAIT-AWEZNQCLSA-N 2 2 327.432 1.951 20 0 EDADLP C[C@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824434400 594011149 /nfs/dbraw/zinc/01/11/49/594011149.db2.gz JSBWTCKUHBWUON-KGLIPLIRSA-N 2 2 344.463 1.438 20 0 EDADLP O=C(C[NH2+]Cc1cc(F)ncc1F)NCC[NH+]1CCCCCC1 ZINC000824434938 594011298 /nfs/dbraw/zinc/01/12/98/594011298.db2.gz UMMMQEJAAWTRLV-UHFFFAOYSA-N 2 2 326.391 1.442 20 0 EDADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000822741451 594093868 /nfs/dbraw/zinc/09/38/68/594093868.db2.gz XEXVGACQOPTNCV-ZDUSSCGKSA-N 2 2 327.367 1.870 20 0 EDADLP Cc1ccc2c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn2c1C ZINC000824958444 594105539 /nfs/dbraw/zinc/10/55/39/594105539.db2.gz YQDPZHDAKAHKTR-UHFFFAOYSA-N 2 2 331.464 1.564 20 0 EDADLP Cc1ccc2c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn2c1C ZINC000824958444 594105541 /nfs/dbraw/zinc/10/55/41/594105541.db2.gz YQDPZHDAKAHKTR-UHFFFAOYSA-N 2 2 331.464 1.564 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000825391743 594177624 /nfs/dbraw/zinc/17/76/24/594177624.db2.gz FLQNUIZALDDQJX-HNNXBMFYSA-N 2 2 339.480 1.393 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000825391743 594177625 /nfs/dbraw/zinc/17/76/25/594177625.db2.gz FLQNUIZALDDQJX-HNNXBMFYSA-N 2 2 339.480 1.393 20 0 EDADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000825454059 594187671 /nfs/dbraw/zinc/18/76/71/594187671.db2.gz YRJCVBHIPOPMJC-UHFFFAOYSA-N 2 2 330.436 1.791 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000825454059 594187673 /nfs/dbraw/zinc/18/76/73/594187673.db2.gz YRJCVBHIPOPMJC-UHFFFAOYSA-N 2 2 330.436 1.791 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNc2[nH+]c3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000825465347 594189399 /nfs/dbraw/zinc/18/93/99/594189399.db2.gz KMRPZYGPTRPTIY-CYBMUJFWSA-N 2 2 343.435 1.273 20 0 EDADLP CC[N@H+]1CCO[C@H](CNc2[nH+]c3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000825465347 594189400 /nfs/dbraw/zinc/18/94/00/594189400.db2.gz KMRPZYGPTRPTIY-CYBMUJFWSA-N 2 2 343.435 1.273 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826037770 594313052 /nfs/dbraw/zinc/31/30/52/594313052.db2.gz DDKAUFKTVMMWMY-RDJZCZTQSA-N 2 2 341.463 1.080 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826037770 594313056 /nfs/dbraw/zinc/31/30/56/594313056.db2.gz DDKAUFKTVMMWMY-RDJZCZTQSA-N 2 2 341.463 1.080 20 0 EDADLP O=C(N1C[C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C[C@@H]2C1)C(F)(F)F ZINC000826064052 594322587 /nfs/dbraw/zinc/32/25/87/594322587.db2.gz CQVPIOKLLJBXRN-VXGBXAGGSA-N 2 2 342.365 1.672 20 0 EDADLP O=C(N1C[C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C[C@@H]2C1)C(F)(F)F ZINC000826064052 594322589 /nfs/dbraw/zinc/32/25/89/594322589.db2.gz CQVPIOKLLJBXRN-VXGBXAGGSA-N 2 2 342.365 1.672 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)c2)CC1 ZINC000828137132 594349628 /nfs/dbraw/zinc/34/96/28/594349628.db2.gz VGINPNWENIWACB-NMNMXBMNSA-N 2 2 328.416 1.195 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(n4cccn4)CC3)c2)CC1 ZINC000828143550 594350438 /nfs/dbraw/zinc/35/04/38/594350438.db2.gz ZVMJRKAXEOFZJZ-UHFFFAOYSA-N 2 2 326.404 1.158 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826159737 594354953 /nfs/dbraw/zinc/35/49/53/594354953.db2.gz QBNWYUVYKMBEET-OCCSQVGLSA-N 2 2 348.426 1.767 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826159737 594354954 /nfs/dbraw/zinc/35/49/54/594354954.db2.gz QBNWYUVYKMBEET-OCCSQVGLSA-N 2 2 348.426 1.767 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC(=O)Cc3[nH]cc[nH+]3)nc2)CC1 ZINC000830342262 594379087 /nfs/dbraw/zinc/37/90/87/594379087.db2.gz MBDWGGJLYBVAKD-UHFFFAOYSA-N 2 2 328.420 1.516 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(c2[nH+]c3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000826363906 594445888 /nfs/dbraw/zinc/44/58/88/594445888.db2.gz FKBJNQFHERXPLQ-GFCCVEGCSA-N 2 2 336.403 1.478 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC000826564822 594527945 /nfs/dbraw/zinc/52/79/45/594527945.db2.gz QJTCQJPPGCPKSG-RBUKOAKNSA-N 2 2 347.503 1.898 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC000826564822 594527947 /nfs/dbraw/zinc/52/79/47/594527947.db2.gz QJTCQJPPGCPKSG-RBUKOAKNSA-N 2 2 347.503 1.898 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC000826565753 594528233 /nfs/dbraw/zinc/52/82/33/594528233.db2.gz YDMHISCAWNGEFB-SFHVURJKSA-N 2 2 333.476 1.652 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)c1 ZINC000826565753 594528236 /nfs/dbraw/zinc/52/82/36/594528236.db2.gz YDMHISCAWNGEFB-SFHVURJKSA-N 2 2 333.476 1.652 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C2)c1 ZINC000826565753 594528239 /nfs/dbraw/zinc/52/82/39/594528239.db2.gz YDMHISCAWNGEFB-SFHVURJKSA-N 2 2 333.476 1.652 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C2)c1 ZINC000826565753 594528241 /nfs/dbraw/zinc/52/82/41/594528241.db2.gz YDMHISCAWNGEFB-SFHVURJKSA-N 2 2 333.476 1.652 20 0 EDADLP [NH3+]Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000826685926 594555377 /nfs/dbraw/zinc/55/53/77/594555377.db2.gz POLUMOHPSLVMLE-LJQANCHMSA-N 2 2 339.439 1.949 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000829236813 594586003 /nfs/dbraw/zinc/58/60/03/594586003.db2.gz ZXDXDCWVQVDPOT-OAHLLOKOSA-N 2 2 332.448 1.016 20 0 EDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000829344559 594600110 /nfs/dbraw/zinc/60/01/10/594600110.db2.gz ODWCGILCWNJTGP-UHFFFAOYSA-N 2 2 343.431 1.741 20 0 EDADLP CN(C(=O)c1nccc2[nH]ccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827346376 594663282 /nfs/dbraw/zinc/66/32/82/594663282.db2.gz HHXVBPDEYIPMLR-OAHLLOKOSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1nccc2[nH]ccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827346376 594663283 /nfs/dbraw/zinc/66/32/83/594663283.db2.gz HHXVBPDEYIPMLR-OAHLLOKOSA-N 2 2 341.459 1.803 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000841005240 594838142 /nfs/dbraw/zinc/83/81/42/594838142.db2.gz HWVXRZDANBAMTM-KRWDZBQOSA-N 2 2 331.464 1.784 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(N3CCCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000841005240 594838143 /nfs/dbraw/zinc/83/81/43/594838143.db2.gz HWVXRZDANBAMTM-KRWDZBQOSA-N 2 2 331.464 1.784 20 0 EDADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000841100084 594850859 /nfs/dbraw/zinc/85/08/59/594850859.db2.gz TZLVUWUWEWGILI-HKUYNNGSSA-N 3 2 341.459 1.986 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cn1 ZINC000841722406 594943617 /nfs/dbraw/zinc/94/36/17/594943617.db2.gz NOWXTYGUPJGOHC-STQMWFEESA-N 2 2 328.420 1.468 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000841838254 594961508 /nfs/dbraw/zinc/96/15/08/594961508.db2.gz TUHPUFYRJWAQJV-UHFFFAOYSA-N 2 2 345.491 1.726 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N3CCC[NH2+]CC3)CC2)cc1 ZINC000841838254 594961509 /nfs/dbraw/zinc/96/15/09/594961509.db2.gz TUHPUFYRJWAQJV-UHFFFAOYSA-N 2 2 345.491 1.726 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCn3cc[nH+]c32)C[C@H](C)O1 ZINC000836516542 594970815 /nfs/dbraw/zinc/97/08/15/594970815.db2.gz OJAPNRFDSALXMR-HZSPNIEDSA-N 2 2 335.452 1.515 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCn3cc[nH+]c32)C[C@H](C)O1 ZINC000836516542 594970817 /nfs/dbraw/zinc/97/08/17/594970817.db2.gz OJAPNRFDSALXMR-HZSPNIEDSA-N 2 2 335.452 1.515 20 0 EDADLP C[C@]1(c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC[NH2+]C1 ZINC000843206593 595034751 /nfs/dbraw/zinc/03/47/51/595034751.db2.gz ZGLZGSLFARCVEB-QAPCUYQASA-N 2 2 328.416 1.894 20 0 EDADLP C[C@]1(c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC[NH2+]C1 ZINC000843206593 595034755 /nfs/dbraw/zinc/03/47/55/595034755.db2.gz ZGLZGSLFARCVEB-QAPCUYQASA-N 2 2 328.416 1.894 20 0 EDADLP Cc1cc2[nH+]cn(CCc3noc(C[C@H]4C[NH2+]CCO4)n3)c2cc1C ZINC000843240902 595047051 /nfs/dbraw/zinc/04/70/51/595047051.db2.gz LUAVZWTVTZWWHH-AWEZNQCLSA-N 2 2 341.415 1.810 20 0 EDADLP CCCCOC(=O)[C@H](C)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000842474949 595114598 /nfs/dbraw/zinc/11/45/98/595114598.db2.gz FRCIIYOCNBHSFY-ZDUSSCGKSA-N 2 2 335.452 1.293 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846226354 595178982 /nfs/dbraw/zinc/17/89/82/595178982.db2.gz YCSDNBKQIIVABF-SOZUMNATSA-N 2 2 343.431 1.656 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846226354 595178984 /nfs/dbraw/zinc/17/89/84/595178984.db2.gz YCSDNBKQIIVABF-SOZUMNATSA-N 2 2 343.431 1.656 20 0 EDADLP CCCCn1nc(C)c(C[N@H+](C)CCN2CC[NH2+]CC2)c1Cl ZINC000843052530 595275938 /nfs/dbraw/zinc/27/59/38/595275938.db2.gz NBNMSRWHQLZFFN-UHFFFAOYSA-N 2 2 327.904 1.982 20 0 EDADLP CCCCn1nc(C)c(C[N@@H+](C)CCN2CC[NH2+]CC2)c1Cl ZINC000843052530 595275941 /nfs/dbraw/zinc/27/59/41/595275941.db2.gz NBNMSRWHQLZFFN-UHFFFAOYSA-N 2 2 327.904 1.982 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843066523 595278892 /nfs/dbraw/zinc/27/88/92/595278892.db2.gz YAPSUMIQTVVVQR-LBPRGKRZSA-N 2 2 339.871 1.032 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843066523 595278894 /nfs/dbraw/zinc/27/88/94/595278894.db2.gz YAPSUMIQTVVVQR-LBPRGKRZSA-N 2 2 339.871 1.032 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000843085994 595283476 /nfs/dbraw/zinc/28/34/76/595283476.db2.gz FFWLECNYIZXXAS-BBRMVZONSA-N 2 2 330.831 1.949 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000843085994 595283479 /nfs/dbraw/zinc/28/34/79/595283479.db2.gz FFWLECNYIZXXAS-BBRMVZONSA-N 2 2 330.831 1.949 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000844171515 595290995 /nfs/dbraw/zinc/29/09/95/595290995.db2.gz JOSNEAUFYJUDTG-DZGCQCFKSA-N 2 2 345.451 1.244 20 0 EDADLP O=C(CO[C@@H]1CCC[NH2+]C1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000844176374 595293071 /nfs/dbraw/zinc/29/30/71/595293071.db2.gz ROZONHCMFVKGGO-MRXNPFEDSA-N 2 2 333.432 1.226 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000844224583 595308738 /nfs/dbraw/zinc/30/87/38/595308738.db2.gz HXFDHNIUEZZFIG-DJIMGWMZSA-N 2 2 345.491 1.536 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000844224583 595308740 /nfs/dbraw/zinc/30/87/40/595308740.db2.gz HXFDHNIUEZZFIG-DJIMGWMZSA-N 2 2 345.491 1.536 20 0 EDADLP C[C@@H]1CC2(C[N@@H+]1CC(=O)N=c1cc(C(C)(C)C)[nH]n1C)CC[NH2+]CC2 ZINC000844225100 595309071 /nfs/dbraw/zinc/30/90/71/595309071.db2.gz YKZWMVARMOHOJR-CQSZACIVSA-N 2 2 347.507 1.542 20 0 EDADLP C[C@@H]1CC2(C[N@H+]1CC(=O)N=c1cc(C(C)(C)C)[nH]n1C)CC[NH2+]CC2 ZINC000844225100 595309074 /nfs/dbraw/zinc/30/90/74/595309074.db2.gz YKZWMVARMOHOJR-CQSZACIVSA-N 2 2 347.507 1.542 20 0 EDADLP O=C1[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCN1Cc1ccccc1 ZINC000846878141 595331233 /nfs/dbraw/zinc/33/12/33/595331233.db2.gz RLKMQJXKAMCKER-KRWDZBQOSA-N 2 2 339.443 1.723 20 0 EDADLP CC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000846952650 595342185 /nfs/dbraw/zinc/34/21/85/595342185.db2.gz GRHHLXSFIRTUJA-UHFFFAOYSA-N 2 2 343.471 1.632 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1conc1C(C)(C)[NH3+] ZINC000848410354 595375169 /nfs/dbraw/zinc/37/51/69/595375169.db2.gz MPHMHZLPDPPAKY-UHFFFAOYSA-N 2 2 340.387 1.688 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000847398475 595410946 /nfs/dbraw/zinc/41/09/46/595410946.db2.gz BKEIJRARFPEMKV-UHFFFAOYSA-N 2 2 338.415 1.560 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000108551442 595513262 /nfs/dbraw/zinc/51/32/62/595513262.db2.gz WCMMLLSKUBMMLZ-CQSZACIVSA-N 2 2 328.420 1.408 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000108551442 595513265 /nfs/dbraw/zinc/51/32/65/595513265.db2.gz WCMMLLSKUBMMLZ-CQSZACIVSA-N 2 2 328.420 1.408 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1cnnn1C1CC[NH2+]CC1 ZINC000852787897 595542865 /nfs/dbraw/zinc/54/28/65/595542865.db2.gz QUKWTUCWIADSET-UHFFFAOYSA-N 2 2 338.375 1.036 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cn1 ZINC000852858405 595580124 /nfs/dbraw/zinc/58/01/24/595580124.db2.gz BLDMCHIPKAUNPI-LBPRGKRZSA-N 2 2 337.387 1.628 20 0 EDADLP [NH3+]C[C@@H]1CC(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)=NO1 ZINC000852862143 595583398 /nfs/dbraw/zinc/58/33/98/595583398.db2.gz UTTRPMRPTMJHPC-LBPRGKRZSA-N 2 2 329.360 1.004 20 0 EDADLP Cc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1-c1ccccc1 ZINC000855415126 595704569 /nfs/dbraw/zinc/70/45/69/595704569.db2.gz QGQJCEPHCHVIEW-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP Cc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1-c1ccccc1 ZINC000855415126 595704571 /nfs/dbraw/zinc/70/45/71/595704571.db2.gz QGQJCEPHCHVIEW-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)[C@H]3CCCO3)CC2)cc1 ZINC000858226968 595736097 /nfs/dbraw/zinc/73/60/97/595736097.db2.gz RPUTWWSJGVUREM-RBUKOAKNSA-N 2 2 333.476 1.851 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)CO1 ZINC000853461858 595757158 /nfs/dbraw/zinc/75/71/58/595757158.db2.gz AWPMNEAPMOJDRQ-GJZGRUSLSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)CO1 ZINC000853461858 595757161 /nfs/dbraw/zinc/75/71/61/595757161.db2.gz AWPMNEAPMOJDRQ-GJZGRUSLSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000858526662 595818514 /nfs/dbraw/zinc/81/85/14/595818514.db2.gz HJTTZMGNQLUWPV-BMFZPTHFSA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000858526662 595818518 /nfs/dbraw/zinc/81/85/18/595818518.db2.gz HJTTZMGNQLUWPV-BMFZPTHFSA-N 2 2 339.480 1.695 20 0 EDADLP O=[S@@](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(F)(F)F ZINC000850493587 595843329 /nfs/dbraw/zinc/84/33/29/595843329.db2.gz JTKFFNSOEIOUNJ-QKVFXAPYSA-N 2 2 328.400 1.140 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000851921525 595972868 /nfs/dbraw/zinc/97/28/68/595972868.db2.gz UHAKXIQOBBFGQE-CJNGLKHVSA-N 2 2 343.493 1.410 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000851921525 595972870 /nfs/dbraw/zinc/97/28/70/595972870.db2.gz UHAKXIQOBBFGQE-CJNGLKHVSA-N 2 2 343.493 1.410 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000851944637 595979885 /nfs/dbraw/zinc/97/98/85/595979885.db2.gz SJNFZOSKHSLBDB-GOSISDBHSA-N 2 2 338.467 1.896 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000851944637 595979888 /nfs/dbraw/zinc/97/98/88/595979888.db2.gz SJNFZOSKHSLBDB-GOSISDBHSA-N 2 2 338.467 1.896 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC[C@@H]1C(F)(F)F ZINC000861635705 596053595 /nfs/dbraw/zinc/05/35/95/596053595.db2.gz RVHXJKQFKJKIKC-VWYCJHECSA-N 2 2 331.342 1.497 20 0 EDADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000856770508 596077548 /nfs/dbraw/zinc/07/75/48/596077548.db2.gz UFLFFINVYYWFCI-KRWDZBQOSA-N 2 2 334.851 1.800 20 0 EDADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000856770508 596077551 /nfs/dbraw/zinc/07/75/51/596077551.db2.gz UFLFFINVYYWFCI-KRWDZBQOSA-N 2 2 334.851 1.800 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529132 596190382 /nfs/dbraw/zinc/19/03/82/596190382.db2.gz OVLUQDRCXWGGBV-UUCFBXCCSA-N 2 2 327.469 1.288 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529132 596190385 /nfs/dbraw/zinc/19/03/85/596190385.db2.gz OVLUQDRCXWGGBV-UUCFBXCCSA-N 2 2 327.469 1.288 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529132 596190388 /nfs/dbraw/zinc/19/03/88/596190388.db2.gz OVLUQDRCXWGGBV-UUCFBXCCSA-N 2 2 327.469 1.288 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529132 596190391 /nfs/dbraw/zinc/19/03/91/596190391.db2.gz OVLUQDRCXWGGBV-UUCFBXCCSA-N 2 2 327.469 1.288 20 0 EDADLP C[N@H+](CCCNC(=O)/C=C\C[NH+]1CCOCC1)Cc1ccccc1 ZINC000864615582 596284498 /nfs/dbraw/zinc/28/44/98/596284498.db2.gz DTDAAILHFZLTTI-UITAMQMPSA-N 2 2 331.460 1.513 20 0 EDADLP C[N@@H+](CCCNC(=O)/C=C\C[NH+]1CCOCC1)Cc1ccccc1 ZINC000864615582 596284500 /nfs/dbraw/zinc/28/45/00/596284500.db2.gz DTDAAILHFZLTTI-UITAMQMPSA-N 2 2 331.460 1.513 20 0 EDADLP C[C@H]([NH3+])Cn1cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)nn1 ZINC000864631541 596291111 /nfs/dbraw/zinc/29/11/11/596291111.db2.gz ZMAQJLWWMMWGKA-LBPRGKRZSA-N 2 2 338.456 1.114 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000866699950 596298634 /nfs/dbraw/zinc/29/86/34/596298634.db2.gz VTVZCVFOVWCICT-KRWDZBQOSA-N 2 2 344.503 1.703 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000866699950 596298636 /nfs/dbraw/zinc/29/86/36/596298636.db2.gz VTVZCVFOVWCICT-KRWDZBQOSA-N 2 2 344.503 1.703 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000866699302 596298710 /nfs/dbraw/zinc/29/87/10/596298710.db2.gz KQBOIOMEXPTBRG-UHFFFAOYSA-N 2 2 333.476 1.954 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[NH2+]CCC2(C)C)c1 ZINC000866699302 596298713 /nfs/dbraw/zinc/29/87/13/596298713.db2.gz KQBOIOMEXPTBRG-UHFFFAOYSA-N 2 2 333.476 1.954 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)CC2)cc1 ZINC000864703696 596313766 /nfs/dbraw/zinc/31/37/66/596313766.db2.gz WQOGQJILWRJLDT-QGZVFWFLSA-N 2 2 344.415 1.186 20 0 EDADLP O=C(CC[NH2+]CC1CC1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000870885553 596389867 /nfs/dbraw/zinc/38/98/67/596389867.db2.gz IWZRHRXTZDZQFT-LJQANCHMSA-N 2 2 345.487 1.436 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907950 596399115 /nfs/dbraw/zinc/39/91/15/596399115.db2.gz CBZQFUNHGMECSE-UHFFFAOYSA-N 2 2 333.461 1.969 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870920124 596405518 /nfs/dbraw/zinc/40/55/18/596405518.db2.gz SHQINJVYUYCURL-UHFFFAOYSA-N 2 2 332.448 1.468 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000870955034 596417292 /nfs/dbraw/zinc/41/72/92/596417292.db2.gz MWUBVJFTCFQAOA-UHFFFAOYSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000870977657 596424760 /nfs/dbraw/zinc/42/47/60/596424760.db2.gz JLMHFKACAQMNDG-MJGOQNOKSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000870977657 596424764 /nfs/dbraw/zinc/42/47/64/596424764.db2.gz JLMHFKACAQMNDG-MJGOQNOKSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000870977656 596425137 /nfs/dbraw/zinc/42/51/37/596425137.db2.gz JLMHFKACAQMNDG-IEBWSBKVSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CC[C@@H]3CC[NH2+]C3)C2)c1 ZINC000870977656 596425139 /nfs/dbraw/zinc/42/51/39/596425139.db2.gz JLMHFKACAQMNDG-IEBWSBKVSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccn(C[C@@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000865063389 596461261 /nfs/dbraw/zinc/46/12/61/596461261.db2.gz CWBHTHHDMTZSAB-OAHLLOKOSA-N 2 2 347.507 1.502 20 0 EDADLP Cn1nc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000863542298 596613237 /nfs/dbraw/zinc/61/32/37/596613237.db2.gz OXENHCSQGVAPHU-GXTWGEPZSA-N 2 2 339.871 1.154 20 0 EDADLP Cn1nc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1Cl ZINC000863542298 596613239 /nfs/dbraw/zinc/61/32/39/596613239.db2.gz OXENHCSQGVAPHU-GXTWGEPZSA-N 2 2 339.871 1.154 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3([NH3+])CCCCC3)C2)c1 ZINC000867998326 596648576 /nfs/dbraw/zinc/64/85/76/596648576.db2.gz VBYFHMUVWZMFQX-SFHVURJKSA-N 2 2 345.487 1.974 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C3([NH3+])CCCCC3)C2)c1 ZINC000867998326 596648580 /nfs/dbraw/zinc/64/85/80/596648580.db2.gz VBYFHMUVWZMFQX-SFHVURJKSA-N 2 2 345.487 1.974 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000867999174 596649754 /nfs/dbraw/zinc/64/97/54/596649754.db2.gz UCVZMXMVKATHOD-WMLDXEAASA-N 2 2 340.431 1.119 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000867999174 596649756 /nfs/dbraw/zinc/64/97/56/596649756.db2.gz UCVZMXMVKATHOD-WMLDXEAASA-N 2 2 340.431 1.119 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867999062 596649763 /nfs/dbraw/zinc/64/97/63/596649763.db2.gz PZIVFZOJZXRDHV-AEFFLSMTSA-N 2 2 325.412 1.998 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867999062 596649766 /nfs/dbraw/zinc/64/97/66/596649766.db2.gz PZIVFZOJZXRDHV-AEFFLSMTSA-N 2 2 325.412 1.998 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCC[NH+]3Cc4ccccc4C3)CC[C@H]21 ZINC000868164748 596707681 /nfs/dbraw/zinc/70/76/81/596707681.db2.gz PCGCGVHIPUCDNC-ZWKOTPCHSA-N 2 2 328.460 1.738 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCC[NH+]3Cc4ccccc4C3)CC[C@H]21 ZINC000868164748 596707683 /nfs/dbraw/zinc/70/76/83/596707683.db2.gz PCGCGVHIPUCDNC-ZWKOTPCHSA-N 2 2 328.460 1.738 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000865887443 596711050 /nfs/dbraw/zinc/71/10/50/596711050.db2.gz QNKQGOSMFOXOTK-FVXMCEBTSA-N 2 2 343.471 1.656 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000865887443 596711052 /nfs/dbraw/zinc/71/10/52/596711052.db2.gz QNKQGOSMFOXOTK-FVXMCEBTSA-N 2 2 343.471 1.656 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1C ZINC000868180730 596713609 /nfs/dbraw/zinc/71/36/09/596713609.db2.gz CHTMEBQIMDNSSA-GOEBONIOSA-N 2 2 332.448 1.943 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1C ZINC000868180730 596713611 /nfs/dbraw/zinc/71/36/11/596713611.db2.gz CHTMEBQIMDNSSA-GOEBONIOSA-N 2 2 332.448 1.943 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)C[N@H+](C)[C@@H]3CCSC3)CC[NH2+]2)c1 ZINC000870151645 596774761 /nfs/dbraw/zinc/77/47/61/596774761.db2.gz GDTICNZEXVHERF-WBVHZDCISA-N 2 2 349.500 1.605 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC[NH2+]2)c1 ZINC000870151645 596774763 /nfs/dbraw/zinc/77/47/63/596774763.db2.gz GDTICNZEXVHERF-WBVHZDCISA-N 2 2 349.500 1.605 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000868382759 596814496 /nfs/dbraw/zinc/81/44/96/596814496.db2.gz KLHGNUBRYGFXCP-HZPDHXFCSA-N 2 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000868382759 596814497 /nfs/dbraw/zinc/81/44/97/596814497.db2.gz KLHGNUBRYGFXCP-HZPDHXFCSA-N 2 2 349.523 1.033 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153335 596814772 /nfs/dbraw/zinc/81/47/72/596814772.db2.gz JHKHRDIATXQROE-BWACUDIHSA-N 2 2 334.395 1.404 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153335 596814774 /nfs/dbraw/zinc/81/47/74/596814774.db2.gz JHKHRDIATXQROE-BWACUDIHSA-N 2 2 334.395 1.404 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000866195086 596823625 /nfs/dbraw/zinc/82/36/25/596823625.db2.gz MSHHUGVPDQGTJP-MRXNPFEDSA-N 2 2 325.416 1.912 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000866195086 596823627 /nfs/dbraw/zinc/82/36/27/596823627.db2.gz MSHHUGVPDQGTJP-MRXNPFEDSA-N 2 2 325.416 1.912 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000872187864 596826071 /nfs/dbraw/zinc/82/60/71/596826071.db2.gz KSFCNEINWGKORT-UHFFFAOYSA-N 2 2 335.452 1.093 20 0 EDADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411467 596879803 /nfs/dbraw/zinc/87/98/03/596879803.db2.gz MVGWBFIBCGEKEV-CJNGLKHVSA-N 2 2 337.439 1.978 20 0 EDADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411467 596879804 /nfs/dbraw/zinc/87/98/04/596879804.db2.gz MVGWBFIBCGEKEV-CJNGLKHVSA-N 2 2 337.439 1.978 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1-n1ccnn1 ZINC000866412334 596880452 /nfs/dbraw/zinc/88/04/52/596880452.db2.gz HISQRPIIAIOMRU-CABCVRRESA-N 2 2 329.448 1.763 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccccc1-n1ccnn1 ZINC000866412334 596880453 /nfs/dbraw/zinc/88/04/53/596880453.db2.gz HISQRPIIAIOMRU-CABCVRRESA-N 2 2 329.448 1.763 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000864428358 596889222 /nfs/dbraw/zinc/88/92/22/596889222.db2.gz RVLMJDIZRFTILC-DAXSKMNVSA-N 2 2 343.471 1.656 20 0 EDADLP Cc1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000124772076 596897529 /nfs/dbraw/zinc/89/75/29/596897529.db2.gz BQYUUNDCRRMUSY-HOTGVXAUSA-N 2 2 349.479 1.787 20 0 EDADLP Cc1nc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000124772076 596897530 /nfs/dbraw/zinc/89/75/30/596897530.db2.gz BQYUUNDCRRMUSY-HOTGVXAUSA-N 2 2 349.479 1.787 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@H]3CCCCN3C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872596155 596980926 /nfs/dbraw/zinc/98/09/26/596980926.db2.gz SAZRRZDSQWOBKF-KURKYZTESA-N 2 2 349.523 1.192 20 0 EDADLP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)n1C ZINC000873140330 597208657 /nfs/dbraw/zinc/20/86/57/597208657.db2.gz MLYRTNQNFMJJQP-UHFFFAOYSA-N 2 2 329.391 1.878 20 0 EDADLP CCOC(=O)[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCCOC1 ZINC000873210347 597228736 /nfs/dbraw/zinc/22/87/36/597228736.db2.gz COIAAVGVSFIMPO-MLGOLLRUSA-N 2 2 338.473 1.842 20 0 EDADLP CC[C@@H](Nc1cccnc1Cl)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000876541630 597233299 /nfs/dbraw/zinc/23/32/99/597233299.db2.gz CSLLGISJVJGNCP-NWDGAFQWSA-N 2 2 325.844 1.027 20 0 EDADLP CC[C@@H](Nc1cccnc1Cl)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000876541630 597233302 /nfs/dbraw/zinc/23/33/02/597233302.db2.gz CSLLGISJVJGNCP-NWDGAFQWSA-N 2 2 325.844 1.027 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000873237681 597236001 /nfs/dbraw/zinc/23/60/01/597236001.db2.gz SRCCUYXYTSVTHQ-OCCSQVGLSA-N 2 2 325.478 1.763 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876709009 597296914 /nfs/dbraw/zinc/29/69/14/597296914.db2.gz GWYCEXAJAUQSIJ-MJGOQNOKSA-N 2 2 329.444 1.990 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H](F)[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000876712609 597299511 /nfs/dbraw/zinc/29/95/11/597299511.db2.gz BTVRNTZHPKQXII-HOCLYGCPSA-N 2 2 349.454 1.505 20 0 EDADLP C[C@H](CNC(=O)c1csc(C2CC[NH2+]CC2)n1)Cn1cc[nH+]c1 ZINC000876731732 597311655 /nfs/dbraw/zinc/31/16/55/597311655.db2.gz UEIMZEVZQNYZJD-GFCCVEGCSA-N 2 2 333.461 1.873 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000876781371 597339054 /nfs/dbraw/zinc/33/90/54/597339054.db2.gz GVOADVYLYCJSBC-RDJZCZTQSA-N 2 2 334.439 1.320 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876784832 597339234 /nfs/dbraw/zinc/33/92/34/597339234.db2.gz LHOIUNVQZCGXHI-NGHLMZTLSA-N 2 2 328.460 1.843 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CC[NH2+]C[C@H]1C(F)F ZINC000876852855 597359571 /nfs/dbraw/zinc/35/95/71/597359571.db2.gz HCPCDAHVBNPMAI-DTWKUNHWSA-N 2 2 326.269 1.442 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876972319 597402117 /nfs/dbraw/zinc/40/21/17/597402117.db2.gz RKDFGZVDAOZQJE-ISHXATMKSA-N 3 2 334.508 1.025 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876972319 597402118 /nfs/dbraw/zinc/40/21/18/597402118.db2.gz RKDFGZVDAOZQJE-ISHXATMKSA-N 3 2 334.508 1.025 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000875407830 597416270 /nfs/dbraw/zinc/41/62/70/597416270.db2.gz OOORLUKZKSAZLH-OFLPRAFFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000875407830 597416271 /nfs/dbraw/zinc/41/62/71/597416271.db2.gz OOORLUKZKSAZLH-OFLPRAFFSA-N 2 2 340.512 1.517 20 0 EDADLP c1nc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc2c1OCCO2 ZINC000877031360 597417553 /nfs/dbraw/zinc/41/75/53/597417553.db2.gz QFROOAUAKGUVFT-INIZCTEOSA-N 2 2 333.432 1.586 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000875484073 597447872 /nfs/dbraw/zinc/44/78/72/597447872.db2.gz GJOGLDOGIIDFQE-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000875484073 597447875 /nfs/dbraw/zinc/44/78/75/597447875.db2.gz GJOGLDOGIIDFQE-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877201933 597460502 /nfs/dbraw/zinc/46/05/02/597460502.db2.gz SZHZTMNFPZPDFX-REUDQUMMSA-N 2 2 346.500 1.663 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C(F)(F)F ZINC000877357854 597500488 /nfs/dbraw/zinc/50/04/88/597500488.db2.gz AJSPPGIFTGSHHP-PWSUYJOCSA-N 2 2 339.321 1.477 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000877432789 597514554 /nfs/dbraw/zinc/51/45/54/597514554.db2.gz HCJNAMWCXZWJJZ-LSDHHAIUSA-N 2 2 325.840 1.567 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000877432789 597514556 /nfs/dbraw/zinc/51/45/56/597514556.db2.gz HCJNAMWCXZWJJZ-LSDHHAIUSA-N 2 2 325.840 1.567 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877480977 597523323 /nfs/dbraw/zinc/52/33/23/597523323.db2.gz QHCOVECMOMZRNB-CQSZACIVSA-N 2 2 334.445 1.447 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877480977 597523324 /nfs/dbraw/zinc/52/33/24/597523324.db2.gz QHCOVECMOMZRNB-CQSZACIVSA-N 2 2 334.445 1.447 20 0 EDADLP OC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000877554347 597534564 /nfs/dbraw/zinc/53/45/64/597534564.db2.gz HKXCJTOAAPFYIA-IBGZPJMESA-N 2 2 348.487 1.992 20 0 EDADLP OC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000877554347 597534565 /nfs/dbraw/zinc/53/45/65/597534565.db2.gz HKXCJTOAAPFYIA-IBGZPJMESA-N 2 2 348.487 1.992 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nocc3C)CC2)CC1 ZINC000878089525 597577404 /nfs/dbraw/zinc/57/74/04/597577404.db2.gz HLSULQIHJPTIDZ-UHFFFAOYSA-N 2 2 334.464 1.749 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878302426 597593849 /nfs/dbraw/zinc/59/38/49/597593849.db2.gz MXEUFISJKREYQZ-UWVGGRQHSA-N 2 2 341.209 1.694 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)c2cc(Br)no2)C1 ZINC000878302426 597593850 /nfs/dbraw/zinc/59/38/50/597593850.db2.gz MXEUFISJKREYQZ-UWVGGRQHSA-N 2 2 341.209 1.694 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)c1cc(Br)no1 ZINC000878318922 597594878 /nfs/dbraw/zinc/59/48/78/597594878.db2.gz FATUNXRQLFJGFN-JTQLQIEISA-N 2 2 329.198 1.689 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)CC1 ZINC000879500162 597609111 /nfs/dbraw/zinc/60/91/11/597609111.db2.gz QVEMYSGYOAOQCO-QGZVFWFLSA-N 2 2 343.475 1.030 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)CC1 ZINC000879500162 597609115 /nfs/dbraw/zinc/60/91/15/597609115.db2.gz QVEMYSGYOAOQCO-QGZVFWFLSA-N 2 2 343.475 1.030 20 0 EDADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000879583377 597643725 /nfs/dbraw/zinc/64/37/25/597643725.db2.gz YHATZWDLCJVMDN-RBUKOAKNSA-N 2 2 327.472 1.987 20 0 EDADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000879583377 597643727 /nfs/dbraw/zinc/64/37/27/597643727.db2.gz YHATZWDLCJVMDN-RBUKOAKNSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000879583377 597643732 /nfs/dbraw/zinc/64/37/32/597643732.db2.gz YHATZWDLCJVMDN-RBUKOAKNSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000879583377 597643735 /nfs/dbraw/zinc/64/37/35/597643735.db2.gz YHATZWDLCJVMDN-RBUKOAKNSA-N 2 2 327.472 1.987 20 0 EDADLP Cc1cccc(CNC(=O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000879591880 597648133 /nfs/dbraw/zinc/64/81/33/597648133.db2.gz AKSQOYNAQJNSFV-UHFFFAOYSA-N 2 2 344.503 1.323 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)CC1 ZINC000879692235 597688997 /nfs/dbraw/zinc/68/89/97/597688997.db2.gz QVEMYSGYOAOQCO-KRWDZBQOSA-N 2 2 343.475 1.030 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)CC1 ZINC000879692235 597689000 /nfs/dbraw/zinc/68/90/00/597689000.db2.gz QVEMYSGYOAOQCO-KRWDZBQOSA-N 2 2 343.475 1.030 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883425541 597742569 /nfs/dbraw/zinc/74/25/69/597742569.db2.gz WSZVQJCLKMOALS-QRVBRYPASA-N 2 2 343.471 1.803 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883425541 597742572 /nfs/dbraw/zinc/74/25/72/597742572.db2.gz WSZVQJCLKMOALS-QRVBRYPASA-N 2 2 343.471 1.803 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000883574619 597808538 /nfs/dbraw/zinc/80/85/38/597808538.db2.gz KZHOLBWDHOUXPA-QWHCGFSZSA-N 2 2 341.337 1.813 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000880027075 597814283 /nfs/dbraw/zinc/81/42/83/597814283.db2.gz NHFGYMLRWZZZFR-VKJFTORMSA-N 2 2 341.496 1.488 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000880027075 597814286 /nfs/dbraw/zinc/81/42/86/597814286.db2.gz NHFGYMLRWZZZFR-VKJFTORMSA-N 2 2 341.496 1.488 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000880027075 597814288 /nfs/dbraw/zinc/81/42/88/597814288.db2.gz NHFGYMLRWZZZFR-VKJFTORMSA-N 2 2 341.496 1.488 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000880027075 597814290 /nfs/dbraw/zinc/81/42/90/597814290.db2.gz NHFGYMLRWZZZFR-VKJFTORMSA-N 2 2 341.496 1.488 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000881975919 597824320 /nfs/dbraw/zinc/82/43/20/597824320.db2.gz RQASKGHCDDTRSV-UHFFFAOYSA-N 2 2 340.493 1.600 20 0 EDADLP COCC1([N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000880186737 597869252 /nfs/dbraw/zinc/86/92/52/597869252.db2.gz NRHACIYVIKEXIJ-UHFFFAOYSA-N 2 2 346.475 1.621 20 0 EDADLP COCC1([N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000880186737 597869253 /nfs/dbraw/zinc/86/92/53/597869253.db2.gz NRHACIYVIKEXIJ-UHFFFAOYSA-N 2 2 346.475 1.621 20 0 EDADLP CO[C@@H]1C[C@H]2C[N@H+](CCCn3cc[nH+]c3)Cc3cccnc3N2C1 ZINC000879270527 597871802 /nfs/dbraw/zinc/87/18/02/597871802.db2.gz RBJOGBYXOABZRT-DLBZAZTESA-N 2 2 327.432 1.778 20 0 EDADLP CO[C@@H]1C[C@H]2C[N@@H+](CCCn3cc[nH+]c3)Cc3cccnc3N2C1 ZINC000879270527 597871804 /nfs/dbraw/zinc/87/18/04/597871804.db2.gz RBJOGBYXOABZRT-DLBZAZTESA-N 2 2 327.432 1.778 20 0 EDADLP CN(C(=O)COC1CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290744 597877436 /nfs/dbraw/zinc/87/74/36/597877436.db2.gz MQUYEKPITMSMGC-ROUUACIJSA-N 2 2 337.508 1.961 20 0 EDADLP CN(C(=O)COC1CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290744 597877439 /nfs/dbraw/zinc/87/74/39/597877439.db2.gz MQUYEKPITMSMGC-ROUUACIJSA-N 2 2 337.508 1.961 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CF)C2)CC1 ZINC000880292229 597893145 /nfs/dbraw/zinc/89/31/45/597893145.db2.gz NXNRVDCSPGNEPE-QGZVFWFLSA-N 2 2 333.451 1.931 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CF)C2)CC1 ZINC000880292229 597893147 /nfs/dbraw/zinc/89/31/47/597893147.db2.gz NXNRVDCSPGNEPE-QGZVFWFLSA-N 2 2 333.451 1.931 20 0 EDADLP C[C@H]1C[NH+](CCN2CC[NH+](CCCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000880415311 597926262 /nfs/dbraw/zinc/92/62/62/597926262.db2.gz IXGQLBKKPBGTJX-ROUUACIJSA-N 2 2 341.540 1.918 20 0 EDADLP CC1([NH+]2CCC2)CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000882509400 597981541 /nfs/dbraw/zinc/98/15/41/597981541.db2.gz PLOQVZMQOPGSDH-QGZVFWFLSA-N 2 2 335.492 1.717 20 0 EDADLP CC1([NH+]2CCC2)CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000882509400 597981544 /nfs/dbraw/zinc/98/15/44/597981544.db2.gz PLOQVZMQOPGSDH-QGZVFWFLSA-N 2 2 335.492 1.717 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cc(C4CC4)no3)C2)CC1 ZINC000884163877 598011724 /nfs/dbraw/zinc/01/17/24/598011724.db2.gz RKMPPWIDXKBMOD-AWEZNQCLSA-N 2 2 347.463 1.520 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cc(C4CC4)no3)C2)CC1 ZINC000884163877 598011727 /nfs/dbraw/zinc/01/17/27/598011727.db2.gz RKMPPWIDXKBMOD-AWEZNQCLSA-N 2 2 347.463 1.520 20 0 EDADLP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000884218389 598032444 /nfs/dbraw/zinc/03/24/44/598032444.db2.gz NCJGRLXUNXSHON-ROUUACIJSA-N 2 2 331.460 1.174 20 0 EDADLP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000888857731 598048636 /nfs/dbraw/zinc/04/86/36/598048636.db2.gz GYLNZUNHWNIYNG-WKILWMFISA-N 2 2 349.479 1.682 20 0 EDADLP CN1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CCC1=O ZINC000152445890 695134517 /nfs/dbraw/zinc/13/45/17/695134517.db2.gz RRYGGSNUYMPXRN-MRXNPFEDSA-N 2 2 330.476 1.932 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC000992747595 695269082 /nfs/dbraw/zinc/26/90/82/695269082.db2.gz LARSECURVXFHDT-SOUVJXGZSA-N 2 2 328.416 1.157 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000914219277 695283121 /nfs/dbraw/zinc/28/31/21/695283121.db2.gz QXRHWVCTNKZMFF-KBPBESRZSA-N 2 2 337.493 1.631 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000914219277 695283122 /nfs/dbraw/zinc/28/31/22/695283122.db2.gz QXRHWVCTNKZMFF-KBPBESRZSA-N 2 2 337.493 1.631 20 0 EDADLP Cc1nc(C(C)C)oc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939858068 699997227 /nfs/dbraw/zinc/99/72/27/699997227.db2.gz XCSHEWQCAKEELA-ZFWWWQNUSA-N 2 2 345.447 1.940 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]CCn3cccn3)[C@@H]2C1 ZINC000992876864 695425736 /nfs/dbraw/zinc/42/57/36/695425736.db2.gz OHEJEIMXQRQLQY-XHSDSOJGSA-N 2 2 342.447 1.066 20 0 EDADLP CN(C)c1ccccc1C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031252612 696014082 /nfs/dbraw/zinc/01/40/82/696014082.db2.gz KBKQQOZNIUIVMP-HNNXBMFYSA-N 2 2 330.476 1.395 20 0 EDADLP CN(C)c1ccccc1C[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031252612 696014084 /nfs/dbraw/zinc/01/40/84/696014084.db2.gz KBKQQOZNIUIVMP-HNNXBMFYSA-N 2 2 330.476 1.395 20 0 EDADLP Cc1nc(NC2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)cc[nH+]1 ZINC001060599747 696233763 /nfs/dbraw/zinc/23/37/63/696233763.db2.gz SYMQQFAEDIEHHE-UHFFFAOYSA-N 2 2 329.448 1.720 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)on1 ZINC000993613654 696259616 /nfs/dbraw/zinc/25/96/16/696259616.db2.gz KSPYAJMKFZKHES-UKRRQHHQSA-N 2 2 347.419 1.357 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)on1 ZINC000993613654 696259618 /nfs/dbraw/zinc/25/96/18/696259618.db2.gz KSPYAJMKFZKHES-UKRRQHHQSA-N 2 2 347.419 1.357 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2snnc2C)[C@H]1C ZINC000993622046 696263785 /nfs/dbraw/zinc/26/37/85/696263785.db2.gz NFQYRLDQZIDCFI-KBPBESRZSA-N 2 2 348.476 1.521 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2snnc2C)[C@H]1C ZINC000993622046 696263788 /nfs/dbraw/zinc/26/37/88/696263788.db2.gz NFQYRLDQZIDCFI-KBPBESRZSA-N 2 2 348.476 1.521 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000993628148 696291642 /nfs/dbraw/zinc/29/16/42/696291642.db2.gz YCCPHYQMNDICHM-WMLDXEAASA-N 2 2 345.422 1.895 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000993628148 696291643 /nfs/dbraw/zinc/29/16/43/696291643.db2.gz YCCPHYQMNDICHM-WMLDXEAASA-N 2 2 345.422 1.895 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CC1CCOCC1 ZINC000994232409 696594965 /nfs/dbraw/zinc/59/49/65/696594965.db2.gz QBJRHRIWBYNBOK-RHSMWYFYSA-N 2 2 334.464 1.358 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CC1CCOCC1 ZINC000994232409 696594966 /nfs/dbraw/zinc/59/49/66/696594966.db2.gz QBJRHRIWBYNBOK-RHSMWYFYSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1ncccc1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994403278 696825837 /nfs/dbraw/zinc/82/58/37/696825837.db2.gz BQTCTROYHJDVHM-AEFFLSMTSA-N 2 2 330.476 1.955 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994403278 696825840 /nfs/dbraw/zinc/82/58/40/696825840.db2.gz BQTCTROYHJDVHM-AEFFLSMTSA-N 2 2 330.476 1.955 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)on1 ZINC000994422737 696844640 /nfs/dbraw/zinc/84/46/40/696844640.db2.gz NPZAZHITLKKRPC-SWLSCSKDSA-N 2 2 347.419 1.357 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)on1 ZINC000994422737 696844642 /nfs/dbraw/zinc/84/46/42/696844642.db2.gz NPZAZHITLKKRPC-SWLSCSKDSA-N 2 2 347.419 1.357 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)ccn1 ZINC000994510143 696954189 /nfs/dbraw/zinc/95/41/89/696954189.db2.gz SGRKRFIUWCHPCQ-GDBMZVCRSA-N 2 2 343.431 1.456 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)ccn1 ZINC000994510143 696954191 /nfs/dbraw/zinc/95/41/91/696954191.db2.gz SGRKRFIUWCHPCQ-GDBMZVCRSA-N 2 2 343.431 1.456 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)cn1 ZINC001031668196 697459886 /nfs/dbraw/zinc/45/98/86/697459886.db2.gz ADJRFZIJCSMTLH-FUHWJXTLSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)cn1 ZINC001031668196 697459888 /nfs/dbraw/zinc/45/98/88/697459888.db2.gz ADJRFZIJCSMTLH-FUHWJXTLSA-N 2 2 343.475 1.207 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cc(C4CC4)no3)C2)CC[N@@H+]1C ZINC001031681403 697504459 /nfs/dbraw/zinc/50/44/59/697504459.db2.gz QHIDABPZZIANER-MLGOLLRUSA-N 2 2 332.448 1.440 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cc(C4CC4)no3)C2)CC[N@H+]1C ZINC001031681403 697504461 /nfs/dbraw/zinc/50/44/61/697504461.db2.gz QHIDABPZZIANER-MLGOLLRUSA-N 2 2 332.448 1.440 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000943332354 698148808 /nfs/dbraw/zinc/14/88/08/698148808.db2.gz CEQTYQRDTNAQBI-CJNGLKHVSA-N 2 2 348.495 1.172 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000943332354 698148812 /nfs/dbraw/zinc/14/88/12/698148812.db2.gz CEQTYQRDTNAQBI-CJNGLKHVSA-N 2 2 348.495 1.172 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)C3CC[NH+](C(C)C)CC3)C2)cn1 ZINC001032093976 698582890 /nfs/dbraw/zinc/58/28/90/698582890.db2.gz AOSKYIVJAUPMHS-UHFFFAOYSA-N 2 2 345.491 1.453 20 0 EDADLP COC[C@H](C)[NH+]1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001032098340 698699201 /nfs/dbraw/zinc/69/92/01/698699201.db2.gz OIPFKVZLLYCJRC-AWEZNQCLSA-N 2 2 328.416 1.569 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767170 698823146 /nfs/dbraw/zinc/82/31/46/698823146.db2.gz RQAJEBAHAFFCFX-WFASDCNBSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767170 698823150 /nfs/dbraw/zinc/82/31/50/698823150.db2.gz RQAJEBAHAFFCFX-WFASDCNBSA-N 2 2 330.436 1.021 20 0 EDADLP CCc1noc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995156767 701561842 /nfs/dbraw/zinc/56/18/42/701561842.db2.gz XIRDZPMAFBNJTI-ZIAGYGMSSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)cn1 ZINC001031766430 699062345 /nfs/dbraw/zinc/06/23/45/699062345.db2.gz ISMQIZGTGLMCCX-MSOLQXFVSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)cn1 ZINC001031766430 699062347 /nfs/dbraw/zinc/06/23/47/699062347.db2.gz ISMQIZGTGLMCCX-MSOLQXFVSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)o1 ZINC000995156971 701567459 /nfs/dbraw/zinc/56/74/59/701567459.db2.gz YGDNVXUPFYFTJA-KBPBESRZSA-N 2 2 331.420 1.632 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784300 699216025 /nfs/dbraw/zinc/21/60/25/699216025.db2.gz OWAGGGLPEAIMQY-AEFFLSMTSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCc1ccccc1F ZINC000939209723 699356387 /nfs/dbraw/zinc/35/63/87/699356387.db2.gz IJJNSTHIJUGRHM-CXAGYDPISA-N 2 2 330.407 1.771 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C)co1 ZINC000939236835 699405940 /nfs/dbraw/zinc/40/59/40/699405940.db2.gz SBAQOCUTMXUDMF-CJNGLKHVSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C)co1 ZINC000939236834 699406116 /nfs/dbraw/zinc/40/61/16/699406116.db2.gz SBAQOCUTMXUDMF-BBRMVZONSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939402740 699551620 /nfs/dbraw/zinc/55/16/20/699551620.db2.gz ZPEANXNZSZPZKE-BBRMVZONSA-N 2 2 344.463 1.675 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939411414 699565126 /nfs/dbraw/zinc/56/51/26/699565126.db2.gz DFQMRKZEIWUBLT-HZMBPMFUSA-N 2 2 333.461 1.662 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)sn1 ZINC000939413352 699566583 /nfs/dbraw/zinc/56/65/83/699566583.db2.gz LRFNMYDDQDMJHA-PWSUYJOCSA-N 2 2 335.433 1.054 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)s1 ZINC000939534103 699672440 /nfs/dbraw/zinc/67/24/40/699672440.db2.gz HPXHUCNBMGROIA-NHYWBVRUSA-N 2 2 347.488 1.673 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000939535879 699676732 /nfs/dbraw/zinc/67/67/32/699676732.db2.gz SHJDABVJFDTORU-GUYCJALGSA-N 2 2 330.407 1.738 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCc1ccns1 ZINC000939540455 699681159 /nfs/dbraw/zinc/68/11/59/699681159.db2.gz HFCFTCIKYKMKCI-GXTWGEPZSA-N 2 2 347.488 1.823 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000939540640 699681408 /nfs/dbraw/zinc/68/14/08/699681408.db2.gz IOGCWXUNPGQMEN-YPMHNXCESA-N 2 2 333.461 1.781 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)n1 ZINC000939622041 699758777 /nfs/dbraw/zinc/75/87/77/699758777.db2.gz HVVKTLODCWUKNC-WBMJQRKESA-N 2 2 330.436 1.114 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000939624405 699762141 /nfs/dbraw/zinc/76/21/41/699762141.db2.gz XVLWEBZVCLQHBL-APPDUMDISA-N 2 2 343.431 1.763 20 0 EDADLP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939642339 699771568 /nfs/dbraw/zinc/77/15/68/699771568.db2.gz JDGBOYCVEKQBQA-CRAIPNDOSA-N 2 2 341.459 1.693 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939643753 699783818 /nfs/dbraw/zinc/78/38/18/699783818.db2.gz WCJXJFXKTZNSTN-SUMWQHHRSA-N 2 2 345.422 1.524 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939643714 699783866 /nfs/dbraw/zinc/78/38/66/699783866.db2.gz VUJRNORULFDXRQ-YOEHRIQHSA-N 2 2 334.464 1.216 20 0 EDADLP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939643848 699784223 /nfs/dbraw/zinc/78/42/23/699784223.db2.gz XLEDZDJCKOMXDP-RDTXWAMCSA-N 2 2 341.459 1.693 20 0 EDADLP CC1([NH2+]Cc2nccs2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144147 700273572 /nfs/dbraw/zinc/27/35/72/700273572.db2.gz FEERXFFBMYROIC-UHFFFAOYSA-N 2 2 333.461 1.970 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)oc1C ZINC000995166894 701632545 /nfs/dbraw/zinc/63/25/45/701632545.db2.gz ILKKBXAHPCIUPP-CABCVRRESA-N 2 2 345.447 1.642 20 0 EDADLP CC1([NH2+]Cc2cc3n(n2)CCC3)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940396990 700593982 /nfs/dbraw/zinc/59/39/82/700593982.db2.gz CQBNRYWVMKSELU-UHFFFAOYSA-N 2 2 342.447 1.266 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)no1 ZINC000940426667 700620410 /nfs/dbraw/zinc/62/04/10/700620410.db2.gz XHPDQJXBNLNASZ-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]CC2CC(F)(F)C2)CC1 ZINC000940426497 700620639 /nfs/dbraw/zinc/62/06/39/700620639.db2.gz SZBCEJOFPVIQFQ-UHFFFAOYSA-N 2 2 340.418 1.979 20 0 EDADLP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482874 700670891 /nfs/dbraw/zinc/67/08/91/700670891.db2.gz XACLFDXNCSNYAL-UHFFFAOYSA-N 2 2 327.432 1.757 20 0 EDADLP CC1([NH2+]Cc2ccc(CO)cc2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940483220 700671212 /nfs/dbraw/zinc/67/12/12/700671212.db2.gz FILKNPXPXYZXAI-UHFFFAOYSA-N 2 2 342.443 1.546 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940624609 700786273 /nfs/dbraw/zinc/78/62/73/700786273.db2.gz IKEMVQJMZFIPLI-SJORKVTESA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940624609 700786275 /nfs/dbraw/zinc/78/62/75/700786275.db2.gz IKEMVQJMZFIPLI-SJORKVTESA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940624609 700786278 /nfs/dbraw/zinc/78/62/78/700786278.db2.gz IKEMVQJMZFIPLI-SJORKVTESA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940624609 700786280 /nfs/dbraw/zinc/78/62/80/700786280.db2.gz IKEMVQJMZFIPLI-SJORKVTESA-N 2 2 345.491 1.596 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995170056 701670730 /nfs/dbraw/zinc/67/07/30/701670730.db2.gz SLUWTZHWEGWMNS-ZBFHGGJFSA-N 2 2 344.463 1.079 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[N@H+](CCF)CC1(C)C)CC2 ZINC000940988086 701041836 /nfs/dbraw/zinc/04/18/36/701041836.db2.gz QWWDDGOPTSHWLF-ZBFHGGJFSA-N 2 2 336.455 1.940 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CC[N@@H+](CCF)CC1(C)C)CC2 ZINC000940988086 701041839 /nfs/dbraw/zinc/04/18/39/701041839.db2.gz QWWDDGOPTSHWLF-ZBFHGGJFSA-N 2 2 336.455 1.940 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025688 701064485 /nfs/dbraw/zinc/06/44/85/701064485.db2.gz FFIMYBUCGXIGBZ-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025688 701064486 /nfs/dbraw/zinc/06/44/86/701064486.db2.gz FFIMYBUCGXIGBZ-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025688 701064487 /nfs/dbraw/zinc/06/44/87/701064487.db2.gz FFIMYBUCGXIGBZ-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941025688 701064488 /nfs/dbraw/zinc/06/44/88/701064488.db2.gz 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Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941186156 701390708 /nfs/dbraw/zinc/39/07/08/701390708.db2.gz DOPZPTJPUZUUJE-RDJZCZTQSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941224299 701414423 /nfs/dbraw/zinc/41/44/23/701414423.db2.gz SVERIBBINQKPQD-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941224299 701414425 /nfs/dbraw/zinc/41/44/25/701414425.db2.gz SVERIBBINQKPQD-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247129 701423902 /nfs/dbraw/zinc/42/39/02/701423902.db2.gz DCXFEEDQMJQUKC-GDBMZVCRSA-N 2 2 342.447 1.651 20 0 EDADLP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247129 701423904 /nfs/dbraw/zinc/42/39/04/701423904.db2.gz DCXFEEDQMJQUKC-GDBMZVCRSA-N 2 2 342.447 1.651 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000999177226 706619687 /nfs/dbraw/zinc/61/96/87/706619687.db2.gz XKONSZSBWLSWPF-CABCVRRESA-N 2 2 347.463 1.054 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999192818 706625768 /nfs/dbraw/zinc/62/57/68/706625768.db2.gz IFOFENYIDLIORI-OWCLPIDISA-N 2 2 334.439 1.704 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995743294 701944898 /nfs/dbraw/zinc/94/48/98/701944898.db2.gz FQCCUMBXOXQNEU-CABCVRRESA-N 2 2 334.464 1.596 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC000995182657 702086773 /nfs/dbraw/zinc/08/67/73/702086773.db2.gz JMWAWEAQQFSHTB-CHWSQXEVSA-N 2 2 333.461 1.792 20 0 EDADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032182667 702207110 /nfs/dbraw/zinc/20/71/10/702207110.db2.gz OTYZHKJPQJFGAA-UKRRQHHQSA-N 2 2 342.443 1.889 20 0 EDADLP C[C@H](c1nc2ccccc2o1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032182667 702207115 /nfs/dbraw/zinc/20/71/15/702207115.db2.gz OTYZHKJPQJFGAA-UKRRQHHQSA-N 2 2 342.443 1.889 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918434 702237559 /nfs/dbraw/zinc/23/75/59/702237559.db2.gz NSXCQMQPOFEHAL-AWEZNQCLSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918434 702237563 /nfs/dbraw/zinc/23/75/63/702237563.db2.gz NSXCQMQPOFEHAL-AWEZNQCLSA-N 2 2 349.479 1.443 20 0 EDADLP C[C@H]1C[N@H+](CCOC2CCC2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097280 702262130 /nfs/dbraw/zinc/26/21/30/702262130.db2.gz FXLJCFCOZDRJML-WMLDXEAASA-N 2 2 334.464 1.358 20 0 EDADLP C[C@H]1C[N@@H+](CCOC2CCC2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097280 702262134 /nfs/dbraw/zinc/26/21/34/702262134.db2.gz FXLJCFCOZDRJML-WMLDXEAASA-N 2 2 334.464 1.358 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995916088 702276814 /nfs/dbraw/zinc/27/68/14/702276814.db2.gz IHXIIURTJCMVAM-AWEZNQCLSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995916088 702276818 /nfs/dbraw/zinc/27/68/18/702276818.db2.gz IHXIIURTJCMVAM-AWEZNQCLSA-N 2 2 335.452 1.189 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000995982960 702343542 /nfs/dbraw/zinc/34/35/42/702343542.db2.gz RCAQMABLZGPIES-CHWSQXEVSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000995982960 702343549 /nfs/dbraw/zinc/34/35/49/702343549.db2.gz RCAQMABLZGPIES-CHWSQXEVSA-N 2 2 337.493 1.349 20 0 EDADLP CCc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)no1 ZINC000995193685 702370016 /nfs/dbraw/zinc/37/00/16/702370016.db2.gz FDAACZLFFVKPQT-UONOGXRCSA-N 2 2 346.435 1.212 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCCO)C[C@@H]3C)ccn12 ZINC000942053787 702478216 /nfs/dbraw/zinc/47/82/16/702478216.db2.gz UFGVAANCIVJILC-XJKSGUPXSA-N 2 2 330.432 1.465 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCCO)C[C@@H]3C)ccn12 ZINC000942053787 702478227 /nfs/dbraw/zinc/47/82/27/702478227.db2.gz UFGVAANCIVJILC-XJKSGUPXSA-N 2 2 330.432 1.465 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000996354400 702732164 /nfs/dbraw/zinc/73/21/64/702732164.db2.gz HJXYAFPIIDALTO-GJZGRUSLSA-N 2 2 334.464 1.594 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C)c1cnccn1 ZINC000996355573 702733522 /nfs/dbraw/zinc/73/35/22/702733522.db2.gz NBDFICRROMDSHY-IUODEOHRSA-N 2 2 328.420 1.330 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995241872 702901026 /nfs/dbraw/zinc/90/10/26/702901026.db2.gz FXOFXFPLWQZLLH-CVEARBPZSA-N 2 2 327.432 1.661 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)sn1 ZINC000995242863 702919660 /nfs/dbraw/zinc/91/96/60/702919660.db2.gz HIOGBBGXHPKCTR-KBPBESRZSA-N 2 2 333.461 1.723 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996649492 702951467 /nfs/dbraw/zinc/95/14/67/702951467.db2.gz DJOJGJGFWVHHIZ-UHFFFAOYSA-N 2 2 331.395 1.657 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996649492 702951469 /nfs/dbraw/zinc/95/14/69/702951469.db2.gz DJOJGJGFWVHHIZ-UHFFFAOYSA-N 2 2 331.395 1.657 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC000995253885 702991104 /nfs/dbraw/zinc/99/11/04/702991104.db2.gz UCWUASJNAHWZEZ-KGLIPLIRSA-N 2 2 333.461 1.723 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)C1 ZINC000996711094 703005954 /nfs/dbraw/zinc/00/59/54/703005954.db2.gz AZFDGPWBMOPMOK-CABCVRRESA-N 2 2 334.464 1.525 20 0 EDADLP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)c1 ZINC000996718348 703012209 /nfs/dbraw/zinc/01/22/09/703012209.db2.gz XYQVONNEGBIXSW-MRXNPFEDSA-N 2 2 343.431 1.314 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC000942518559 703019948 /nfs/dbraw/zinc/01/99/48/703019948.db2.gz TXZOZYOVLYTFOK-WBMJQRKESA-N 2 2 345.447 1.823 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2nc(C)oc2C)C[C@H]1C ZINC000942518559 703019949 /nfs/dbraw/zinc/01/99/49/703019949.db2.gz TXZOZYOVLYTFOK-WBMJQRKESA-N 2 2 345.447 1.823 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1C ZINC000942518788 703020533 /nfs/dbraw/zinc/02/05/33/703020533.db2.gz WZEJOQZBLMJOFH-GUYCJALGSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1C ZINC000942518788 703020536 /nfs/dbraw/zinc/02/05/36/703020536.db2.gz WZEJOQZBLMJOFH-GUYCJALGSA-N 2 2 345.422 1.752 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2cscn2)CC1 ZINC000996728649 703023450 /nfs/dbraw/zinc/02/34/50/703023450.db2.gz CFKSKIBYXHAHJN-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC([NH2+]C[C@H]3CCOC3)CC1)C2 ZINC000996754953 703044020 /nfs/dbraw/zinc/04/40/20/703044020.db2.gz FGMQINAAXSXSFK-CABCVRRESA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC([NH2+]C[C@H]3CCOC3)CC1)CC2 ZINC000996754953 703044021 /nfs/dbraw/zinc/04/40/21/703044021.db2.gz FGMQINAAXSXSFK-CABCVRRESA-N 2 2 346.475 1.440 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000942555809 703069358 /nfs/dbraw/zinc/06/93/58/703069358.db2.gz PWRKEZXMFOBURV-UKRRQHHQSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000942555809 703069359 /nfs/dbraw/zinc/06/93/59/703069359.db2.gz PWRKEZXMFOBURV-UKRRQHHQSA-N 2 2 349.479 1.579 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996833345 703115894 /nfs/dbraw/zinc/11/58/94/703115894.db2.gz HMZNTYVGDBXPFB-OAHLLOKOSA-N 2 2 334.464 1.360 20 0 EDADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000996844576 703121165 /nfs/dbraw/zinc/12/11/65/703121165.db2.gz ZRLUCXFNFPCACZ-CQSZACIVSA-N 2 2 328.416 1.447 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996859562 703143452 /nfs/dbraw/zinc/14/34/52/703143452.db2.gz ODBXBQRJWJYCDM-UHFFFAOYSA-N 2 2 334.464 1.671 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([NH2+]CCF)CC1 ZINC000996910344 703180946 /nfs/dbraw/zinc/18/09/46/703180946.db2.gz KKDASBLSGVVUHY-MRXNPFEDSA-N 2 2 327.444 1.180 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([NH2+]CCF)CC1 ZINC000996910344 703180947 /nfs/dbraw/zinc/18/09/47/703180947.db2.gz KKDASBLSGVVUHY-MRXNPFEDSA-N 2 2 327.444 1.180 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000997082248 703320751 /nfs/dbraw/zinc/32/07/51/703320751.db2.gz CWWQMEJFTSXOPW-ZDUSSCGKSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000997082248 703320753 /nfs/dbraw/zinc/32/07/53/703320753.db2.gz CWWQMEJFTSXOPW-ZDUSSCGKSA-N 2 2 342.447 1.468 20 0 EDADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](CCCO)CC1 ZINC000997175988 703460895 /nfs/dbraw/zinc/46/08/95/703460895.db2.gz IDKNSOFXBPXLDF-CYBMUJFWSA-N 2 2 330.432 1.776 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997182368 703467590 /nfs/dbraw/zinc/46/75/90/703467590.db2.gz KHDLMJMBGHUZBL-UHFFFAOYSA-N 2 2 344.463 1.510 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000997238060 703524664 /nfs/dbraw/zinc/52/46/64/703524664.db2.gz TTZHJHPFKZMTLL-OAHLLOKOSA-N 2 2 334.464 1.360 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(CO)cc2)CCC1 ZINC001032443458 703619729 /nfs/dbraw/zinc/61/97/29/703619729.db2.gz WODPKTQBOLUCMY-ROUUACIJSA-N 2 2 343.471 1.448 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(CO)cc2)CCC1 ZINC001032443458 703619730 /nfs/dbraw/zinc/61/97/30/703619730.db2.gz WODPKTQBOLUCMY-ROUUACIJSA-N 2 2 343.471 1.448 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc(C)[nH+]1 ZINC001061425606 703926213 /nfs/dbraw/zinc/92/62/13/703926213.db2.gz QEAYYJLCKIYHDZ-HOTGVXAUSA-N 2 2 345.491 1.917 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)cc(C)[nH+]1 ZINC001061425606 703926216 /nfs/dbraw/zinc/92/62/16/703926216.db2.gz QEAYYJLCKIYHDZ-HOTGVXAUSA-N 2 2 345.491 1.917 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004205893 703962327 /nfs/dbraw/zinc/96/23/27/703962327.db2.gz GGXVBZYLNLECBW-GJZGRUSLSA-N 2 2 334.464 1.936 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC001004252800 704078293 /nfs/dbraw/zinc/07/82/93/704078293.db2.gz GWSRTHWFPVBZKK-QGZVFWFLSA-N 2 2 346.406 1.336 20 0 EDADLP CO[C@H](C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1)C1CCCC1 ZINC001004258406 704086575 /nfs/dbraw/zinc/08/65/75/704086575.db2.gz PPGLGJTYOGJSGU-QGZVFWFLSA-N 2 2 334.464 1.669 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033082827 704140099 /nfs/dbraw/zinc/14/00/99/704140099.db2.gz SWOUXNPLQHAUQZ-QZTJIDSGSA-N 2 2 345.491 1.278 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033082827 704140102 /nfs/dbraw/zinc/14/01/02/704140102.db2.gz SWOUXNPLQHAUQZ-QZTJIDSGSA-N 2 2 345.491 1.278 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3nccs3)C2)CC[N@@H+]1C ZINC001033097049 704187675 /nfs/dbraw/zinc/18/76/75/704187675.db2.gz UKQVMHXLEPSAFY-SOUVJXGZSA-N 2 2 336.505 1.906 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3nccs3)C2)CC[N@H+]1C ZINC001033097049 704187678 /nfs/dbraw/zinc/18/76/78/704187678.db2.gz UKQVMHXLEPSAFY-SOUVJXGZSA-N 2 2 336.505 1.906 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001033097049 704187681 /nfs/dbraw/zinc/18/76/81/704187681.db2.gz UKQVMHXLEPSAFY-SOUVJXGZSA-N 2 2 336.505 1.906 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3nccs3)C2)CC[NH+]1C ZINC001033097049 704187685 /nfs/dbraw/zinc/18/76/85/704187685.db2.gz UKQVMHXLEPSAFY-SOUVJXGZSA-N 2 2 336.505 1.906 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC001032550495 704684815 /nfs/dbraw/zinc/68/48/15/704684815.db2.gz UJUSMUWHDVRDEJ-KKUMJFAQSA-N 2 2 338.402 1.994 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCC(F)(F)C1 ZINC001032550495 704684818 /nfs/dbraw/zinc/68/48/18/704684818.db2.gz UJUSMUWHDVRDEJ-KKUMJFAQSA-N 2 2 338.402 1.994 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)on1 ZINC000944965004 704834024 /nfs/dbraw/zinc/83/40/24/704834024.db2.gz OHWXKRROECDLOO-BLLLJJGKSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)on1 ZINC000944965004 704834030 /nfs/dbraw/zinc/83/40/30/704834030.db2.gz OHWXKRROECDLOO-BLLLJJGKSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)on1 ZINC000944965005 704834139 /nfs/dbraw/zinc/83/41/39/704834139.db2.gz OHWXKRROECDLOO-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)on1 ZINC000944965005 704834145 /nfs/dbraw/zinc/83/41/45/704834145.db2.gz OHWXKRROECDLOO-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ncnn2C)CC1 ZINC000997951511 705070877 /nfs/dbraw/zinc/07/08/77/705070877.db2.gz YJBGNQWEGUOLAB-HOTGVXAUSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ncnn2C)CC1 ZINC000997951511 705070880 /nfs/dbraw/zinc/07/08/80/705070880.db2.gz YJBGNQWEGUOLAB-HOTGVXAUSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2ncnn2C)CC1 ZINC000997951511 705070884 /nfs/dbraw/zinc/07/08/84/705070884.db2.gz YJBGNQWEGUOLAB-HOTGVXAUSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2ncnn2C)CC1 ZINC000997951511 705070889 /nfs/dbraw/zinc/07/08/89/705070889.db2.gz YJBGNQWEGUOLAB-HOTGVXAUSA-N 2 2 348.495 1.112 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC(F)(F)F)C1 ZINC001032587658 705119638 /nfs/dbraw/zinc/11/96/38/705119638.db2.gz ORKPYDREFXOROC-MELADBBJSA-N 2 2 349.397 1.333 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC(F)(F)F)C1 ZINC001032587658 705119640 /nfs/dbraw/zinc/11/96/40/705119640.db2.gz ORKPYDREFXOROC-MELADBBJSA-N 2 2 349.397 1.333 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(F)(F)F)C1 ZINC001032587658 705119643 /nfs/dbraw/zinc/11/96/43/705119643.db2.gz ORKPYDREFXOROC-MELADBBJSA-N 2 2 349.397 1.333 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(F)(F)F)C1 ZINC001032587658 705119646 /nfs/dbraw/zinc/11/96/46/705119646.db2.gz ORKPYDREFXOROC-MELADBBJSA-N 2 2 349.397 1.333 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000998007828 705173098 /nfs/dbraw/zinc/17/30/98/705173098.db2.gz ARIXLXQBAGIVJA-IBGZPJMESA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000998007828 705173100 /nfs/dbraw/zinc/17/31/00/705173100.db2.gz ARIXLXQBAGIVJA-IBGZPJMESA-N 2 2 349.519 1.868 20 0 EDADLP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)[nH]1 ZINC000998114382 705364863 /nfs/dbraw/zinc/36/48/63/705364863.db2.gz GRGJBONUIPWTOS-UHFFFAOYSA-N 2 2 345.451 1.222 20 0 EDADLP CCc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000998119689 705377781 /nfs/dbraw/zinc/37/77/81/705377781.db2.gz ORULUNDWKGFFJH-GFCCVEGCSA-N 2 2 346.435 1.487 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC000998278578 705666121 /nfs/dbraw/zinc/66/61/21/705666121.db2.gz HTKGCRHEEQPULJ-NWDGAFQWSA-N 2 2 336.333 1.530 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000998296336 705698884 /nfs/dbraw/zinc/69/88/84/705698884.db2.gz FNMTUFCEYCQKDD-UHFFFAOYSA-N 2 2 343.431 1.777 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921652034 705804525 /nfs/dbraw/zinc/80/45/25/705804525.db2.gz OPMWDQISVDFESO-QGZVFWFLSA-N 2 2 333.480 1.640 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921652034 705804529 /nfs/dbraw/zinc/80/45/29/705804529.db2.gz OPMWDQISVDFESO-QGZVFWFLSA-N 2 2 333.480 1.640 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000999110206 706537533 /nfs/dbraw/zinc/53/75/33/706537533.db2.gz GGTRLUCYORDBHC-WLYUNCDWSA-N 2 2 328.416 1.563 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999320480 706820610 /nfs/dbraw/zinc/82/06/10/706820610.db2.gz ZHXTUQLVLHWISS-HNNXBMFYSA-N 2 2 345.451 1.043 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000999355373 706844718 /nfs/dbraw/zinc/84/47/18/706844718.db2.gz UVHFQYUGEYXMOW-HZPDHXFCSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000999355373 706844719 /nfs/dbraw/zinc/84/47/19/706844719.db2.gz UVHFQYUGEYXMOW-HZPDHXFCSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000999355364 706844778 /nfs/dbraw/zinc/84/47/78/706844778.db2.gz UVHFQYUGEYXMOW-CVEARBPZSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000999355364 706844779 /nfs/dbraw/zinc/84/47/79/706844779.db2.gz UVHFQYUGEYXMOW-CVEARBPZSA-N 2 2 349.479 1.722 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999351639 706864588 /nfs/dbraw/zinc/86/45/88/706864588.db2.gz FWGMZIVFWHPHMA-CYBMUJFWSA-N 2 2 335.452 1.197 20 0 EDADLP Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)n1 ZINC000999372683 706887063 /nfs/dbraw/zinc/88/70/63/706887063.db2.gz OQHWOXIYSNUBOE-CVEARBPZSA-N 2 2 342.447 1.275 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)no1 ZINC000999404300 706912806 /nfs/dbraw/zinc/91/28/06/706912806.db2.gz VGPVYGXFSSPMHD-WLYUNCDWSA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)no1 ZINC000999404300 706912807 /nfs/dbraw/zinc/91/28/07/706912807.db2.gz VGPVYGXFSSPMHD-WLYUNCDWSA-N 2 2 349.479 1.614 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]Cc2cccnc2)C1 ZINC000999425872 706932330 /nfs/dbraw/zinc/93/23/30/706932330.db2.gz LTSOQMZHNIPPOS-BHUNQDJPSA-N 2 2 339.443 1.698 20 0 EDADLP CCCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)o1 ZINC000999470028 706979053 /nfs/dbraw/zinc/97/90/53/706979053.db2.gz QDQHULKBIMNOFC-UHFFFAOYSA-N 2 2 345.447 1.980 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000999504745 707001758 /nfs/dbraw/zinc/00/17/58/707001758.db2.gz RUKJQTVSIPWKJA-UKRRQHHQSA-N 2 2 328.416 1.794 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)nn1 ZINC000999506027 707003587 /nfs/dbraw/zinc/00/35/87/707003587.db2.gz YLRDTDJPUIMKCF-ZDUSSCGKSA-N 2 2 339.403 1.086 20 0 EDADLP Cc1nc([C@H](C)[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)no1 ZINC000999508395 707005690 /nfs/dbraw/zinc/00/56/90/707005690.db2.gz LBMSAQMICWLNDI-JQRITLKVSA-N 2 2 349.479 1.750 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999508973 707006358 /nfs/dbraw/zinc/00/63/58/707006358.db2.gz IBVVDBURPSADGJ-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999508973 707006361 /nfs/dbraw/zinc/00/63/61/707006361.db2.gz IBVVDBURPSADGJ-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999545007 707045251 /nfs/dbraw/zinc/04/52/51/707045251.db2.gz JWIMNUCWCDBULV-GOEBONIOSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000999550277 707049774 /nfs/dbraw/zinc/04/97/74/707049774.db2.gz VNDDWJCUVJHDFF-UONOGXRCSA-N 2 2 345.472 1.683 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000999683278 707167842 /nfs/dbraw/zinc/16/78/42/707167842.db2.gz QBHGGHYKNIILCZ-HUUCEWRRSA-N 2 2 328.416 1.565 20 0 EDADLP Cc1nc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)sc1C ZINC000999690063 707246467 /nfs/dbraw/zinc/24/64/67/707246467.db2.gz UYFVCUQITGLFMK-UHFFFAOYSA-N 2 2 347.488 1.815 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000999707653 707298729 /nfs/dbraw/zinc/29/87/29/707298729.db2.gz JSVXJBXAQBSSEW-UHFFFAOYSA-N 2 2 345.447 1.122 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001033268207 707307789 /nfs/dbraw/zinc/30/77/89/707307789.db2.gz WPTHQNMLUXGYKF-INIZCTEOSA-N 2 2 343.431 1.328 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)c1 ZINC001033268207 707307791 /nfs/dbraw/zinc/30/77/91/707307791.db2.gz WPTHQNMLUXGYKF-INIZCTEOSA-N 2 2 343.431 1.328 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786055 707333424 /nfs/dbraw/zinc/33/34/24/707333424.db2.gz CGSXBRQFWRYHRA-YYIAUSFCSA-N 2 2 346.475 1.340 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786055 707333426 /nfs/dbraw/zinc/33/34/26/707333426.db2.gz CGSXBRQFWRYHRA-YYIAUSFCSA-N 2 2 346.475 1.340 20 0 EDADLP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)s1 ZINC000999747414 707347944 /nfs/dbraw/zinc/34/79/44/707347944.db2.gz NWXPSZODVXCVIU-UHFFFAOYSA-N 2 2 334.449 1.200 20 0 EDADLP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999791906 707362944 /nfs/dbraw/zinc/36/29/44/707362944.db2.gz LHHLMDQGSVWOPF-GDBMZVCRSA-N 2 2 349.504 1.493 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000999799810 707371119 /nfs/dbraw/zinc/37/11/19/707371119.db2.gz LXEQFZVXJGUHIL-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000999799810 707371124 /nfs/dbraw/zinc/37/11/24/707371124.db2.gz LXEQFZVXJGUHIL-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]([NH2+]Cc1nncn1C)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004836793 707388151 /nfs/dbraw/zinc/38/81/51/707388151.db2.gz UGRQDZAGWPTART-ZIAGYGMSSA-N 2 2 345.451 1.030 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199816 707453847 /nfs/dbraw/zinc/45/38/47/707453847.db2.gz YUOLECTVXAKNHO-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199816 707453849 /nfs/dbraw/zinc/45/38/49/707453849.db2.gz YUOLECTVXAKNHO-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199816 707453852 /nfs/dbraw/zinc/45/38/52/707453852.db2.gz YUOLECTVXAKNHO-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033199816 707453854 /nfs/dbraw/zinc/45/38/54/707453854.db2.gz YUOLECTVXAKNHO-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCCCc1nc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)no1 ZINC000999833008 707464214 /nfs/dbraw/zinc/46/42/14/707464214.db2.gz KNGHEEWAHJBEBC-UHFFFAOYSA-N 2 2 349.479 1.587 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803750 707467381 /nfs/dbraw/zinc/46/73/81/707467381.db2.gz UGVIBWSJEOYOTO-LUKYLMHMSA-N 2 2 334.464 1.385 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803750 707467382 /nfs/dbraw/zinc/46/73/82/707467382.db2.gz UGVIBWSJEOYOTO-LUKYLMHMSA-N 2 2 334.464 1.385 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ncc(C3CC3)o2)C1 ZINC000999914327 707556647 /nfs/dbraw/zinc/55/66/47/707556647.db2.gz AQEYXCJUECEKMM-UHFFFAOYSA-N 2 2 329.404 1.528 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033203261 707602868 /nfs/dbraw/zinc/60/28/68/707602868.db2.gz QCGFIWLVQIMXCR-TZMCWYRMSA-N 2 2 344.381 1.931 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033203261 707602869 /nfs/dbraw/zinc/60/28/69/707602869.db2.gz QCGFIWLVQIMXCR-TZMCWYRMSA-N 2 2 344.381 1.931 20 0 EDADLP C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004923850 707662488 /nfs/dbraw/zinc/66/24/88/707662488.db2.gz ZSHXVHUJUDUWCF-RDJZCZTQSA-N 2 2 344.463 1.566 20 0 EDADLP Cc1conc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033358080 707678145 /nfs/dbraw/zinc/67/81/45/707678145.db2.gz GJBAHOQURYPNSN-JYJNAYRXSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1conc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033358080 707678147 /nfs/dbraw/zinc/67/81/47/707678147.db2.gz GJBAHOQURYPNSN-JYJNAYRXSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358080 707678149 /nfs/dbraw/zinc/67/81/49/707678149.db2.gz GJBAHOQURYPNSN-JYJNAYRXSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033358080 707678151 /nfs/dbraw/zinc/67/81/51/707678151.db2.gz GJBAHOQURYPNSN-JYJNAYRXSA-N 2 2 334.464 1.746 20 0 EDADLP C[C@@H]([NH2+]Cc1ccns1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004947478 707720250 /nfs/dbraw/zinc/72/02/50/707720250.db2.gz AVGYCBZRZCJYFJ-IUODEOHRSA-N 2 2 333.461 1.968 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921690527 707727866 /nfs/dbraw/zinc/72/78/66/707727866.db2.gz OJSLKMQBBUPEIR-LBPRGKRZSA-N 2 2 339.871 1.618 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000921690527 707727870 /nfs/dbraw/zinc/72/78/70/707727870.db2.gz OJSLKMQBBUPEIR-LBPRGKRZSA-N 2 2 339.871 1.618 20 0 EDADLP Cc1ncoc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984503 707831735 /nfs/dbraw/zinc/83/17/35/707831735.db2.gz WPXUVHQMIANWJA-CJNGLKHVSA-N 2 2 345.447 1.818 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001004986473 707836950 /nfs/dbraw/zinc/83/69/50/707836950.db2.gz AYGYOCOUUNPYSP-PBHICJAKSA-N 2 2 344.463 1.554 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)[nH]1 ZINC001004988586 707845593 /nfs/dbraw/zinc/84/55/93/707845593.db2.gz CFWVEMGQZQEIAY-ZFWWWQNUSA-N 2 2 334.468 1.068 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033431206 707862691 /nfs/dbraw/zinc/86/26/91/707862691.db2.gz BTURELSCWDQSBP-BRWVUGGUSA-N 2 2 339.443 1.652 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033431206 707862694 /nfs/dbraw/zinc/86/26/94/707862694.db2.gz BTURELSCWDQSBP-BRWVUGGUSA-N 2 2 339.443 1.652 20 0 EDADLP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033459460 707910414 /nfs/dbraw/zinc/91/04/14/707910414.db2.gz LASBUBUHHNSYSU-QGZVFWFLSA-N 2 2 341.459 1.751 20 0 EDADLP CN(C)c1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033459460 707910418 /nfs/dbraw/zinc/91/04/18/707910418.db2.gz LASBUBUHHNSYSU-QGZVFWFLSA-N 2 2 341.459 1.751 20 0 EDADLP Cc1nn(C(C)C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454354 707934356 /nfs/dbraw/zinc/93/43/56/707934356.db2.gz CONBLUKHURDRLZ-QGZVFWFLSA-N 2 2 344.463 1.771 20 0 EDADLP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033454354 707934357 /nfs/dbraw/zinc/93/43/57/707934357.db2.gz CONBLUKHURDRLZ-QGZVFWFLSA-N 2 2 344.463 1.771 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001000712661 708063306 /nfs/dbraw/zinc/06/33/06/708063306.db2.gz CIYUQVRIAQJQBX-OAHLLOKOSA-N 2 2 342.447 1.276 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005182088 708128042 /nfs/dbraw/zinc/12/80/42/708128042.db2.gz CJSOJZOPJWYXLN-ZFWWWQNUSA-N 2 2 349.479 1.710 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001005182088 708128043 /nfs/dbraw/zinc/12/80/43/708128043.db2.gz CJSOJZOPJWYXLN-ZFWWWQNUSA-N 2 2 349.479 1.710 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)oc1C ZINC001033582347 708265851 /nfs/dbraw/zinc/26/58/51/708265851.db2.gz OGVLZATZQOJKGL-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)oc1C ZINC001033582347 708265852 /nfs/dbraw/zinc/26/58/52/708265852.db2.gz OGVLZATZQOJKGL-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)oc1C ZINC001033582347 708265854 /nfs/dbraw/zinc/26/58/54/708265854.db2.gz OGVLZATZQOJKGL-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)oc1C ZINC001033582347 708265857 /nfs/dbraw/zinc/26/58/57/708265857.db2.gz OGVLZATZQOJKGL-JKSUJKDBSA-N 2 2 334.464 1.666 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033591173 708288612 /nfs/dbraw/zinc/28/86/12/708288612.db2.gz TUENYRVKANTSLA-HUUCEWRRSA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033591173 708288614 /nfs/dbraw/zinc/28/86/14/708288614.db2.gz TUENYRVKANTSLA-HUUCEWRRSA-N 2 2 334.464 1.789 20 0 EDADLP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1)C1CCCC1 ZINC001033592568 708291438 /nfs/dbraw/zinc/29/14/38/708291438.db2.gz CAJQDSAQSBAKOD-FUHWJXTLSA-N 2 2 348.491 1.701 20 0 EDADLP CO[C@H](C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1)C1CCCC1 ZINC001033592568 708291440 /nfs/dbraw/zinc/29/14/40/708291440.db2.gz CAJQDSAQSBAKOD-FUHWJXTLSA-N 2 2 348.491 1.701 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033595019 708297769 /nfs/dbraw/zinc/29/77/69/708297769.db2.gz PMRRHDIANPYBPY-CABCVRRESA-N 2 2 334.464 1.647 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033595019 708297771 /nfs/dbraw/zinc/29/77/71/708297771.db2.gz PMRRHDIANPYBPY-CABCVRRESA-N 2 2 334.464 1.647 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001033616088 708341887 /nfs/dbraw/zinc/34/18/87/708341887.db2.gz FNZUQVCIKDIICV-WMZOPIPTSA-N 2 2 348.491 1.999 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001033616088 708341892 /nfs/dbraw/zinc/34/18/92/708341892.db2.gz FNZUQVCIKDIICV-WMZOPIPTSA-N 2 2 348.491 1.999 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001001843069 708347628 /nfs/dbraw/zinc/34/76/28/708347628.db2.gz YSURIIIVVPSAMX-GVDBMIGSSA-N 2 2 346.475 1.388 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001033621130 708353888 /nfs/dbraw/zinc/35/38/88/708353888.db2.gz UDLLDQCAAHIQRH-MRXNPFEDSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001033621130 708353890 /nfs/dbraw/zinc/35/38/90/708353890.db2.gz UDLLDQCAAHIQRH-MRXNPFEDSA-N 2 2 327.432 1.697 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC001033663644 708443509 /nfs/dbraw/zinc/44/35/09/708443509.db2.gz WXUDURACFPIILN-RDJZCZTQSA-N 2 2 344.459 1.110 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC001033663644 708443510 /nfs/dbraw/zinc/44/35/10/708443510.db2.gz WXUDURACFPIILN-RDJZCZTQSA-N 2 2 344.459 1.110 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC(=O)Nc2ccccc2)C1 ZINC001033663644 708443512 /nfs/dbraw/zinc/44/35/12/708443512.db2.gz WXUDURACFPIILN-RDJZCZTQSA-N 2 2 344.459 1.110 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC(=O)Nc2ccccc2)C1 ZINC001033663644 708443513 /nfs/dbraw/zinc/44/35/13/708443513.db2.gz WXUDURACFPIILN-RDJZCZTQSA-N 2 2 344.459 1.110 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncc(C)c3)C2)C1 ZINC001033681600 708493283 /nfs/dbraw/zinc/49/32/83/708493283.db2.gz VDNPMKFKBCMFTI-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cncc(C)c3)C2)C1 ZINC001033681600 708493286 /nfs/dbraw/zinc/49/32/86/708493286.db2.gz VDNPMKFKBCMFTI-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cncc(C)c3)C2)C1 ZINC001033681600 708493289 /nfs/dbraw/zinc/49/32/89/708493289.db2.gz VDNPMKFKBCMFTI-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cncc(C)c3)C2)C1 ZINC001033681600 708493290 /nfs/dbraw/zinc/49/32/90/708493290.db2.gz VDNPMKFKBCMFTI-ZWKOTPCHSA-N 2 2 346.475 1.143 20 0 EDADLP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001033704255 708533539 /nfs/dbraw/zinc/53/35/39/708533539.db2.gz QQHZPZGIOZXBMW-DLBZAZTESA-N 2 2 334.464 1.621 20 0 EDADLP CO[C@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001033704255 708533540 /nfs/dbraw/zinc/53/35/40/708533540.db2.gz QQHZPZGIOZXBMW-DLBZAZTESA-N 2 2 334.464 1.621 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001033705015 708534303 /nfs/dbraw/zinc/53/43/03/708534303.db2.gz CORXCKLKAFOEEM-RHSMWYFYSA-N 2 2 346.406 1.289 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001033705015 708534304 /nfs/dbraw/zinc/53/43/04/708534304.db2.gz CORXCKLKAFOEEM-RHSMWYFYSA-N 2 2 346.406 1.289 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cccnc2OC)C1 ZINC001033772593 708670338 /nfs/dbraw/zinc/67/03/38/708670338.db2.gz AHDKYSPQTMDUCK-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC001033772593 708670340 /nfs/dbraw/zinc/67/03/40/708670340.db2.gz AHDKYSPQTMDUCK-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001033772593 708670343 /nfs/dbraw/zinc/67/03/43/708670343.db2.gz AHDKYSPQTMDUCK-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cccnc2OC)C1 ZINC001033772593 708670344 /nfs/dbraw/zinc/67/03/44/708670344.db2.gz AHDKYSPQTMDUCK-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002531100 709088921 /nfs/dbraw/zinc/08/89/21/709088921.db2.gz FFPWVFWMNMPLMA-RDTXWAMCSA-N 2 2 349.450 1.798 20 0 EDADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002531100 709088922 /nfs/dbraw/zinc/08/89/22/709088922.db2.gz FFPWVFWMNMPLMA-RDTXWAMCSA-N 2 2 349.450 1.798 20 0 EDADLP COC(=O)[C@H](C)Oc1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000922016961 709437697 /nfs/dbraw/zinc/43/76/97/709437697.db2.gz KOGMXJWVYLCQGP-ZFWWWQNUSA-N 2 2 329.400 1.928 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001002873123 709493337 /nfs/dbraw/zinc/49/33/37/709493337.db2.gz ZPYUFPVYVYMKRA-SUMWQHHRSA-N 2 2 349.479 1.406 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001002873123 709493341 /nfs/dbraw/zinc/49/33/41/709493341.db2.gz ZPYUFPVYVYMKRA-SUMWQHHRSA-N 2 2 349.479 1.406 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3nnc(C)o3)C2)CC[N@@H+]1C ZINC001034216700 709572486 /nfs/dbraw/zinc/57/24/86/709572486.db2.gz JUPYVAGJXSPIMM-HRCADAONSA-N 2 2 349.479 1.579 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3nnc(C)o3)C2)CC[N@H+]1C ZINC001034216700 709572488 /nfs/dbraw/zinc/57/24/88/709572488.db2.gz JUPYVAGJXSPIMM-HRCADAONSA-N 2 2 349.479 1.579 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3nnc(C)o3)C2)CC[NH+]1C ZINC001034216700 709572489 /nfs/dbraw/zinc/57/24/89/709572489.db2.gz JUPYVAGJXSPIMM-HRCADAONSA-N 2 2 349.479 1.579 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3nnc(C)o3)C2)CC[NH+]1C ZINC001034216700 709572491 /nfs/dbraw/zinc/57/24/91/709572491.db2.gz JUPYVAGJXSPIMM-HRCADAONSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001034271146 709677521 /nfs/dbraw/zinc/67/75/21/709677521.db2.gz LVGGGHVXSWTAPC-ROUUACIJSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001034271146 709677524 /nfs/dbraw/zinc/67/75/24/709677524.db2.gz LVGGGHVXSWTAPC-ROUUACIJSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001034271146 709677528 /nfs/dbraw/zinc/67/75/28/709677528.db2.gz LVGGGHVXSWTAPC-ROUUACIJSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001034271146 709677531 /nfs/dbraw/zinc/67/75/31/709677531.db2.gz LVGGGHVXSWTAPC-ROUUACIJSA-N 2 2 345.491 1.740 20 0 EDADLP [NH3+]CCC[N@H+](Cc1ccccc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000359285869 709934883 /nfs/dbraw/zinc/93/48/83/709934883.db2.gz WVQXSVFLZWLADQ-SFHVURJKSA-N 2 2 331.460 1.617 20 0 EDADLP [NH3+]CCC[N@@H+](Cc1ccccc1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000359285869 709934888 /nfs/dbraw/zinc/93/48/88/709934888.db2.gz WVQXSVFLZWLADQ-SFHVURJKSA-N 2 2 331.460 1.617 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001003144029 710040314 /nfs/dbraw/zinc/04/03/14/710040314.db2.gz HABQZQYJSVRQFK-IAGOWNOFSA-N 2 2 343.475 1.574 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001003144029 710040318 /nfs/dbraw/zinc/04/03/18/710040318.db2.gz HABQZQYJSVRQFK-IAGOWNOFSA-N 2 2 343.475 1.574 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001003147007 710045439 /nfs/dbraw/zinc/04/54/39/710045439.db2.gz SXIYPIYYISNUCT-IAGOWNOFSA-N 2 2 332.448 1.772 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001003147007 710045442 /nfs/dbraw/zinc/04/54/42/710045442.db2.gz SXIYPIYYISNUCT-IAGOWNOFSA-N 2 2 332.448 1.772 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003168026 710079800 /nfs/dbraw/zinc/07/98/00/710079800.db2.gz QTGWJMOTERWZHY-WFASDCNBSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003168026 710079805 /nfs/dbraw/zinc/07/98/05/710079805.db2.gz QTGWJMOTERWZHY-WFASDCNBSA-N 2 2 335.452 1.504 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCCO2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001003192796 710127511 /nfs/dbraw/zinc/12/75/11/710127511.db2.gz KCHGXGWVHWCRBN-YJBOKZPZSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1cncc(C[N@H+]2CCCC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001034486573 710133507 /nfs/dbraw/zinc/13/35/07/710133507.db2.gz BKKFSKJHUSRCBN-QGZVFWFLSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1cncc(C[N@@H+]2CCCC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001034486573 710133508 /nfs/dbraw/zinc/13/35/08/710133508.db2.gz BKKFSKJHUSRCBN-QGZVFWFLSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC001034524795 710174080 /nfs/dbraw/zinc/17/40/80/710174080.db2.gz HZIPAQHILZXXOX-HUUCEWRRSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC001034524795 710174081 /nfs/dbraw/zinc/17/40/81/710174081.db2.gz HZIPAQHILZXXOX-HUUCEWRRSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001034524795 710174082 /nfs/dbraw/zinc/17/40/82/710174082.db2.gz HZIPAQHILZXXOX-HUUCEWRRSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001034524795 710174084 /nfs/dbraw/zinc/17/40/84/710174084.db2.gz HZIPAQHILZXXOX-HUUCEWRRSA-N 2 2 336.505 1.874 20 0 EDADLP CCCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC001034613237 710288282 /nfs/dbraw/zinc/28/82/82/710288282.db2.gz XXWHHLPFTOEEQD-KKUMJFAQSA-N 2 2 349.479 1.633 20 0 EDADLP CCCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC001034613237 710288285 /nfs/dbraw/zinc/28/82/85/710288285.db2.gz XXWHHLPFTOEEQD-KKUMJFAQSA-N 2 2 349.479 1.633 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003420574 710335037 /nfs/dbraw/zinc/33/50/37/710335037.db2.gz UGHZKSUIPSWXNE-UHFFFAOYSA-N 2 2 347.507 1.858 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946571051 710345809 /nfs/dbraw/zinc/34/58/09/710345809.db2.gz PGVRNMWFXBONMG-YESZJQIVSA-N 2 2 346.475 1.549 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946571051 710345812 /nfs/dbraw/zinc/34/58/12/710345812.db2.gz PGVRNMWFXBONMG-YESZJQIVSA-N 2 2 346.475 1.549 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)nn1C ZINC001003624276 710453646 /nfs/dbraw/zinc/45/36/46/710453646.db2.gz NGTPGUQRFIHOGA-AWEZNQCLSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nn1C ZINC001003624276 710453649 /nfs/dbraw/zinc/45/36/49/710453649.db2.gz NGTPGUQRFIHOGA-AWEZNQCLSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nc1 ZINC001003635341 710462563 /nfs/dbraw/zinc/46/25/63/710462563.db2.gz OUQCZUGVIJDGDU-GOEBONIOSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nc1 ZINC001003635341 710462565 /nfs/dbraw/zinc/46/25/65/710462565.db2.gz OUQCZUGVIJDGDU-GOEBONIOSA-N 2 2 331.464 1.063 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC001003745507 710528140 /nfs/dbraw/zinc/52/81/40/710528140.db2.gz RQLGORQJHOQTAA-UHFFFAOYSA-N 2 2 333.480 1.233 20 0 EDADLP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)OC ZINC001005619462 710724797 /nfs/dbraw/zinc/72/47/97/710724797.db2.gz ZPWFLXQZAVNLED-RDJZCZTQSA-N 2 2 348.491 1.793 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001032943760 710917325 /nfs/dbraw/zinc/91/73/25/710917325.db2.gz HAFCVESHBNTJGD-RHSMWYFYSA-N 2 2 346.475 1.680 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001032943760 710917328 /nfs/dbraw/zinc/91/73/28/710917328.db2.gz HAFCVESHBNTJGD-RHSMWYFYSA-N 2 2 346.475 1.680 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2noc3c2CCCC3)C1 ZINC001032943760 710917332 /nfs/dbraw/zinc/91/73/32/710917332.db2.gz HAFCVESHBNTJGD-RHSMWYFYSA-N 2 2 346.475 1.680 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2noc3c2CCCC3)C1 ZINC001032943760 710917339 /nfs/dbraw/zinc/91/73/39/710917339.db2.gz HAFCVESHBNTJGD-RHSMWYFYSA-N 2 2 346.475 1.680 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001034764404 711039904 /nfs/dbraw/zinc/03/99/04/711039904.db2.gz UJRHAVXIXBPSQV-SHTZXODSSA-N 2 2 331.395 1.704 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC001034794462 711110712 /nfs/dbraw/zinc/11/07/12/711110712.db2.gz JBKYCSHSLIGCJL-HDJSIYSDSA-N 2 2 346.435 1.354 20 0 EDADLP CCn1c(C)nnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799530 711136176 /nfs/dbraw/zinc/13/61/76/711136176.db2.gz JDCRFAMATWZIPB-SHTZXODSSA-N 2 2 345.451 1.020 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799836 711138065 /nfs/dbraw/zinc/13/80/65/711138065.db2.gz RUBNOWMTRRBKGT-QAQDUYKDSA-N 2 2 327.432 1.804 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001003986369 711192072 /nfs/dbraw/zinc/19/20/72/711192072.db2.gz WWCSCJJPXPSXON-UHFFFAOYSA-N 2 2 331.464 1.079 20 0 EDADLP Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001034890693 711346648 /nfs/dbraw/zinc/34/66/48/711346648.db2.gz FRIFISYPSQVMQK-QZTJIDSGSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001034890693 711346649 /nfs/dbraw/zinc/34/66/49/711346649.db2.gz FRIFISYPSQVMQK-QZTJIDSGSA-N 2 2 331.460 1.406 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034951139 711411972 /nfs/dbraw/zinc/41/19/72/711411972.db2.gz IDVKFNCARKFCLX-CQSZACIVSA-N 2 2 349.460 1.587 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)o1 ZINC001034958486 711432407 /nfs/dbraw/zinc/43/24/07/711432407.db2.gz JGNHMQMXCJZGDJ-GDBMZVCRSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([C@H]3CCC[N@@H+]3CCO)CC2)c[nH+]1 ZINC001004471681 711847953 /nfs/dbraw/zinc/84/79/53/711847953.db2.gz XVLDDJDXYIKFFK-QGZVFWFLSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([C@H]3CCC[N@H+]3CCO)CC2)c[nH+]1 ZINC001004471681 711847955 /nfs/dbraw/zinc/84/79/55/711847955.db2.gz XVLDDJDXYIKFFK-QGZVFWFLSA-N 2 2 348.491 1.622 20 0 EDADLP COCCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000173885996 231061459 /nfs/dbraw/zinc/06/14/59/231061459.db2.gz NOTRTFYPGJKJOB-UHFFFAOYSA-N 2 2 340.512 1.663 20 0 EDADLP CN(C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCCCC1 ZINC000371295964 282210007 /nfs/dbraw/zinc/21/00/07/282210007.db2.gz WAVHLHYMYFTBSA-KZNAEPCWSA-N 2 2 337.508 1.961 20 0 EDADLP CN(C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCCCC1 ZINC000371295964 282210010 /nfs/dbraw/zinc/21/00/10/282210010.db2.gz WAVHLHYMYFTBSA-KZNAEPCWSA-N 2 2 337.508 1.961 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)[NH+]1CCOCC1 ZINC000173178482 282224250 /nfs/dbraw/zinc/22/42/50/282224250.db2.gz RCZOMNPNVVCTAJ-WBVHZDCISA-N 2 2 325.497 1.581 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC)C1)[NH+]1CCOCC1 ZINC000173178482 282224251 /nfs/dbraw/zinc/22/42/51/282224251.db2.gz RCZOMNPNVVCTAJ-WBVHZDCISA-N 2 2 325.497 1.581 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000328924685 539377723 /nfs/dbraw/zinc/37/77/23/539377723.db2.gz DLTUXMQJSYIJBI-FUHWJXTLSA-N 2 2 346.475 1.549 20 0 EDADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1ccc2c[nH+]cn2c1 ZINC000559547720 306256244 /nfs/dbraw/zinc/25/62/44/306256244.db2.gz IRYXAEXZGWFVAI-DLBZAZTESA-N 2 2 328.416 1.708 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(=O)OC(C)(C)C ZINC000433838889 305113725 /nfs/dbraw/zinc/11/37/25/305113725.db2.gz MRDUPHPXOCIGNJ-UHFFFAOYSA-N 2 2 341.496 1.593 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(=O)OC(C)(C)C ZINC000433838889 305113726 /nfs/dbraw/zinc/11/37/26/305113726.db2.gz MRDUPHPXOCIGNJ-UHFFFAOYSA-N 2 2 341.496 1.593 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1c[nH+]c2n1CCCC2 ZINC000560081993 306260663 /nfs/dbraw/zinc/26/06/63/306260663.db2.gz MBWVZYGKGOPVIS-UHFFFAOYSA-N 2 2 342.447 1.794 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330296868 539546625 /nfs/dbraw/zinc/54/66/25/539546625.db2.gz GPHNLLWPLBHJPI-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330296868 539546630 /nfs/dbraw/zinc/54/66/30/539546630.db2.gz GPHNLLWPLBHJPI-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000343995173 299133729 /nfs/dbraw/zinc/13/37/29/299133729.db2.gz PFXGHBDPUCYBQC-QZWWFDLISA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000343995173 299133731 /nfs/dbraw/zinc/13/37/31/299133731.db2.gz PFXGHBDPUCYBQC-QZWWFDLISA-N 2 2 338.496 1.364 20 0 EDADLP Cn1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000066534231 215051490 /nfs/dbraw/zinc/05/14/90/215051490.db2.gz CHKVUHVRGDVHTP-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP Cn1cc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000066534231 215051491 /nfs/dbraw/zinc/05/14/91/215051491.db2.gz CHKVUHVRGDVHTP-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP COc1ccnc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000154302805 539587695 /nfs/dbraw/zinc/58/76/95/539587695.db2.gz HRCIDVOBZITELG-XYPWUTKMSA-N 2 2 344.459 1.473 20 0 EDADLP COc1ccnc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000154302805 539587702 /nfs/dbraw/zinc/58/77/02/539587702.db2.gz HRCIDVOBZITELG-XYPWUTKMSA-N 2 2 344.459 1.473 20 0 EDADLP CC(C)(CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000561045711 306281747 /nfs/dbraw/zinc/28/17/47/306281747.db2.gz NDAVWEKIDMNGBO-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC(C)(CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000561045711 306281748 /nfs/dbraw/zinc/28/17/48/306281748.db2.gz NDAVWEKIDMNGBO-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000412426658 304006876 /nfs/dbraw/zinc/00/68/76/304006876.db2.gz OADAKKBCFKLVRZ-CQSZACIVSA-N 2 2 340.493 1.936 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561258949 306285761 /nfs/dbraw/zinc/28/57/61/306285761.db2.gz KCHPWPLWUBVTDW-LSDHHAIUSA-N 2 2 332.448 1.063 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065560 539700510 /nfs/dbraw/zinc/70/05/10/539700510.db2.gz AHEFJHFGQWRZMV-HOTGVXAUSA-N 2 2 337.489 1.653 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065560 539700513 /nfs/dbraw/zinc/70/05/13/539700513.db2.gz AHEFJHFGQWRZMV-HOTGVXAUSA-N 2 2 337.489 1.653 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(Cc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000103562283 219313400 /nfs/dbraw/zinc/31/34/00/219313400.db2.gz KTDOKGYFVYBQQC-UHFFFAOYSA-N 2 2 343.475 1.629 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000103860998 219327758 /nfs/dbraw/zinc/32/77/58/219327758.db2.gz UOQWTKITJLGCGY-AWEZNQCLSA-N 2 2 344.419 1.207 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000104148090 219353751 /nfs/dbraw/zinc/35/37/51/219353751.db2.gz VNXGTKALPGNCLT-DOTOQJQBSA-N 2 2 341.521 1.185 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000104148090 219353754 /nfs/dbraw/zinc/35/37/54/219353754.db2.gz VNXGTKALPGNCLT-DOTOQJQBSA-N 2 2 341.521 1.185 20 0 EDADLP COc1cc(-c2noc(Cn3cc[nH+]c3)n2)ccc1OCC[NH+](C)C ZINC000562280750 306294180 /nfs/dbraw/zinc/29/41/80/306294180.db2.gz VNLHKEOMPMDROU-UHFFFAOYSA-N 2 2 343.387 1.930 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000412704199 304029149 /nfs/dbraw/zinc/02/91/49/304029149.db2.gz ZEUNZXNQTMDUKG-PKOBYXMFSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000412704199 304029143 /nfs/dbraw/zinc/02/91/43/304029143.db2.gz ZEUNZXNQTMDUKG-PKOBYXMFSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000412704199 304029145 /nfs/dbraw/zinc/02/91/45/304029145.db2.gz ZEUNZXNQTMDUKG-PKOBYXMFSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000412704199 304029147 /nfs/dbraw/zinc/02/91/47/304029147.db2.gz ZEUNZXNQTMDUKG-PKOBYXMFSA-N 2 2 345.487 1.829 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3CCO)cc2n1C ZINC000562745889 306307550 /nfs/dbraw/zinc/30/75/50/306307550.db2.gz SJBDPRGDSBANLD-HNNXBMFYSA-N 2 2 330.432 1.458 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@@H]3CCCC[N@H+]3CCO)cc2n1C ZINC000562745889 306307551 /nfs/dbraw/zinc/30/75/51/306307551.db2.gz SJBDPRGDSBANLD-HNNXBMFYSA-N 2 2 330.432 1.458 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000562839649 306311067 /nfs/dbraw/zinc/31/10/67/306311067.db2.gz ZTLBLGGJPPZYIZ-BIENJYKASA-N 2 2 344.459 1.728 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000280599014 540072227 /nfs/dbraw/zinc/07/22/27/540072227.db2.gz UNRRWGQQARIKBX-UHFFFAOYSA-N 2 2 344.463 1.683 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000280599014 540072228 /nfs/dbraw/zinc/07/22/28/540072228.db2.gz UNRRWGQQARIKBX-UHFFFAOYSA-N 2 2 344.463 1.683 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000280599014 540072230 /nfs/dbraw/zinc/07/22/30/540072230.db2.gz UNRRWGQQARIKBX-UHFFFAOYSA-N 2 2 344.463 1.683 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000280599014 540072232 /nfs/dbraw/zinc/07/22/32/540072232.db2.gz UNRRWGQQARIKBX-UHFFFAOYSA-N 2 2 344.463 1.683 20 0 EDADLP C[C@H](C[NH2+]Cc1cncc(Br)c1)C[NH+]1CCOCC1 ZINC000183715798 235205543 /nfs/dbraw/zinc/20/55/43/235205543.db2.gz KKTVBBRJELLWFN-GFCCVEGCSA-N 2 2 328.254 1.902 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[NH+](Cc3cccs3)CC2)nc[nH+]1 ZINC000413028625 304050359 /nfs/dbraw/zinc/05/03/59/304050359.db2.gz QBTMBXYUKIKRKS-CYBMUJFWSA-N 2 2 333.461 1.653 20 0 EDADLP [NH3+][C@@H]1C[C@H]2CN(c3[nH+]cccc3OCc3ccccc3)CCN2C1=O ZINC000563434143 306332978 /nfs/dbraw/zinc/33/29/78/306332978.db2.gz YHSNAUJYYLOXDQ-JKSUJKDBSA-N 2 2 338.411 1.409 20 0 EDADLP O[C@@H](CNc1cc(NC2CC2)[nH+]cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000413052328 304052483 /nfs/dbraw/zinc/05/24/83/304052483.db2.gz MBIBPIUMCJMUDQ-KRWDZBQOSA-N 2 2 339.443 1.882 20 0 EDADLP O[C@@H](CNc1cc(NC2CC2)[nH+]cn1)C[N@H+]1CCc2ccccc2C1 ZINC000413052328 304052484 /nfs/dbraw/zinc/05/24/84/304052484.db2.gz MBIBPIUMCJMUDQ-KRWDZBQOSA-N 2 2 339.443 1.882 20 0 EDADLP O[C@@H](CNc1cc(NC2CC2)nc[nH+]1)C[N@@H+]1CCc2ccccc2C1 ZINC000413052328 304052486 /nfs/dbraw/zinc/05/24/86/304052486.db2.gz MBIBPIUMCJMUDQ-KRWDZBQOSA-N 2 2 339.443 1.882 20 0 EDADLP O[C@@H](CNc1cc(NC2CC2)nc[nH+]1)C[N@H+]1CCc2ccccc2C1 ZINC000413052328 304052487 /nfs/dbraw/zinc/05/24/87/304052487.db2.gz MBIBPIUMCJMUDQ-KRWDZBQOSA-N 2 2 339.443 1.882 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000563498861 306335743 /nfs/dbraw/zinc/33/57/43/306335743.db2.gz ARMNWZJUCQSSMS-GOEBONIOSA-N 2 2 344.459 1.659 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1)C[NH+]1CCCC1 ZINC000413065535 304055718 /nfs/dbraw/zinc/05/57/18/304055718.db2.gz GQGSJVICKNUZEL-BZUAXINKSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1)C[NH+]1CCCC1 ZINC000413065535 304055719 /nfs/dbraw/zinc/05/57/19/304055719.db2.gz GQGSJVICKNUZEL-BZUAXINKSA-N 2 2 333.480 1.828 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066176663 138176036 /nfs/dbraw/zinc/17/60/36/138176036.db2.gz PFFOJTNHIOYHCN-INIZCTEOSA-N 2 2 327.432 1.757 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000077713997 138254086 /nfs/dbraw/zinc/25/40/86/138254086.db2.gz ZSEDWISXCUFFNB-UHFFFAOYSA-N 2 2 342.447 1.943 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000082991946 138268428 /nfs/dbraw/zinc/26/84/28/138268428.db2.gz SCIQMOJGVJCXGB-UHFFFAOYSA-N 2 2 341.415 1.204 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083233379 138268986 /nfs/dbraw/zinc/26/89/86/138268986.db2.gz SDRFDVDUAJIHPD-UHFFFAOYSA-N 2 2 349.479 1.545 20 0 EDADLP C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCCC1)C(C)(C)C[NH+](C)C ZINC000085289345 138270538 /nfs/dbraw/zinc/27/05/38/138270538.db2.gz FPBLLJFOCNSMOG-OAHLLOKOSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000085422727 138270614 /nfs/dbraw/zinc/27/06/14/138270614.db2.gz LNGDIIKPVQNZAZ-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000038012544 213188858 /nfs/dbraw/zinc/18/88/58/213188858.db2.gz XDMPBAANHKYAHQ-GFCCVEGCSA-N 2 2 340.265 1.874 20 0 EDADLP COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000093188369 138292483 /nfs/dbraw/zinc/29/24/83/138292483.db2.gz GAGSJPJUKHDQTQ-HNNXBMFYSA-N 2 2 347.459 1.267 20 0 EDADLP COc1cc(OC)cc([C@H]2CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000093188369 138292484 /nfs/dbraw/zinc/29/24/84/138292484.db2.gz GAGSJPJUKHDQTQ-HNNXBMFYSA-N 2 2 347.459 1.267 20 0 EDADLP CN(Cc1ccco1)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918492 138302871 /nfs/dbraw/zinc/30/28/71/138302871.db2.gz UZNQKVDYGYUGPA-UHFFFAOYSA-N 2 2 330.432 1.926 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563625817 306342750 /nfs/dbraw/zinc/34/27/50/306342750.db2.gz TZKYBFIVAGCLTP-IBGZPJMESA-N 2 2 344.459 1.402 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000563625817 306342751 /nfs/dbraw/zinc/34/27/51/306342751.db2.gz TZKYBFIVAGCLTP-IBGZPJMESA-N 2 2 344.459 1.402 20 0 EDADLP CC1CC[NH+](Cc2csc(NC(=O)C[C@H]3COCC[NH2+]3)n2)CC1 ZINC000564797888 306365405 /nfs/dbraw/zinc/36/54/05/306365405.db2.gz ZOZSGHJCJVXSNI-ZDUSSCGKSA-N 2 2 338.477 1.692 20 0 EDADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)n1 ZINC000564799814 306365501 /nfs/dbraw/zinc/36/55/01/306365501.db2.gz PPYWJLYOXABNQH-LBPRGKRZSA-N 2 2 341.419 1.686 20 0 EDADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)n1 ZINC000564799814 306365502 /nfs/dbraw/zinc/36/55/02/306365502.db2.gz PPYWJLYOXABNQH-LBPRGKRZSA-N 2 2 341.419 1.686 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3nnc4n3CCC4)c2cc1C ZINC000564845375 306366729 /nfs/dbraw/zinc/36/67/29/306366729.db2.gz WUEGTGXMMZQRGD-CQSZACIVSA-N 2 2 340.431 1.342 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2ccccc2Cl)C[C@@H](C)O1 ZINC000564848423 306367343 /nfs/dbraw/zinc/36/73/43/306367343.db2.gz XBPUQJGLEXWSCI-IIAWOOMASA-N 2 2 326.868 1.942 20 0 EDADLP CN1CC[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1=O ZINC000564846129 306367129 /nfs/dbraw/zinc/36/71/29/306367129.db2.gz FZJOLGSHOBBNAX-GFCCVEGCSA-N 2 2 337.387 1.491 20 0 EDADLP c1cc(OCCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000129406408 223053035 /nfs/dbraw/zinc/05/30/35/223053035.db2.gz KVJWTCZHJQLLAT-MRXNPFEDSA-N 2 2 348.443 1.838 20 0 EDADLP c1cc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000129406408 223053037 /nfs/dbraw/zinc/05/30/37/223053037.db2.gz KVJWTCZHJQLLAT-MRXNPFEDSA-N 2 2 348.443 1.838 20 0 EDADLP C[C@@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417581205 296019118 /nfs/dbraw/zinc/01/91/18/296019118.db2.gz FLILQXMLONFJOU-OLZOCXBDSA-N 2 2 340.418 1.966 20 0 EDADLP C[C@@H]([NH3+])CCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417581205 296019120 /nfs/dbraw/zinc/01/91/20/296019120.db2.gz FLILQXMLONFJOU-OLZOCXBDSA-N 2 2 340.418 1.966 20 0 EDADLP C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000414052972 304099315 /nfs/dbraw/zinc/09/93/15/304099315.db2.gz RIAFECHYEVOVGG-INIZCTEOSA-N 2 2 325.497 1.820 20 0 EDADLP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000343494809 296037947 /nfs/dbraw/zinc/03/79/47/296037947.db2.gz BZBXWJIEVOMXBE-UONOGXRCSA-N 2 2 327.350 1.543 20 0 EDADLP Cc1cc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000414322504 304106193 /nfs/dbraw/zinc/10/61/93/304106193.db2.gz SUQUZUKSXVOXSP-UHFFFAOYSA-N 3 2 328.464 1.425 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000565645341 306388584 /nfs/dbraw/zinc/38/85/84/306388584.db2.gz DMIYNVUTLVWEKA-JTQLQIEISA-N 2 2 334.317 1.951 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000565645341 306388583 /nfs/dbraw/zinc/38/85/83/306388583.db2.gz DMIYNVUTLVWEKA-JTQLQIEISA-N 2 2 334.317 1.951 20 0 EDADLP Cc1cc(N2CCC([NH2+]Cc3c[nH+]c(N(C)C)n3C)CC2)nc(C)[nH+]1 ZINC000414366166 304112329 /nfs/dbraw/zinc/11/23/29/304112329.db2.gz PYEFCJKRCWOXSV-UHFFFAOYSA-N 3 2 343.479 1.652 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)CC(F)F)C1 ZINC000414705130 304130407 /nfs/dbraw/zinc/13/04/07/304130407.db2.gz LCVMHKRKMJNFOI-OAHLLOKOSA-N 2 2 325.403 1.951 20 0 EDADLP CC(C)(C)[NH2+]CCN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000414730216 304133763 /nfs/dbraw/zinc/13/37/63/304133763.db2.gz AIGKWJFIQWCITR-SFHVURJKSA-N 2 2 344.503 1.798 20 0 EDADLP CC(C)(C)[NH2+]CCN1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000414728162 304133804 /nfs/dbraw/zinc/13/38/04/304133804.db2.gz CELNMQQTTHBQFG-UHFFFAOYSA-N 2 2 349.504 1.262 20 0 EDADLP C[N@@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C[C@@H](O)C[NH3+] ZINC000415072540 304157334 /nfs/dbraw/zinc/15/73/34/304157334.db2.gz WNIREWGVENBNCC-LSDHHAIUSA-N 2 2 328.840 1.649 20 0 EDADLP C[N@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C[C@@H](O)C[NH3+] ZINC000415072540 304157336 /nfs/dbraw/zinc/15/73/36/304157336.db2.gz WNIREWGVENBNCC-LSDHHAIUSA-N 2 2 328.840 1.649 20 0 EDADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000194972190 139003533 /nfs/dbraw/zinc/00/35/33/139003533.db2.gz FDMLBSUTSHOMLU-CQSZACIVSA-N 2 2 325.478 1.683 20 0 EDADLP C[C@@H](c1cccc(NC(=O)NC[C@@H]([NH3+])C2CC2)c1)[NH+]1CCOCC1 ZINC000415148138 304165188 /nfs/dbraw/zinc/16/51/88/304165188.db2.gz JUOOXYSHHIZMDK-SUMWQHHRSA-N 2 2 332.448 1.939 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415152713 304166172 /nfs/dbraw/zinc/16/61/72/304166172.db2.gz HSQDQFQMIKDZSK-ZIAGYGMSSA-N 2 2 329.404 1.916 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000236884980 139034099 /nfs/dbraw/zinc/03/40/99/139034099.db2.gz JGAVEBMECVNDKJ-HUUCEWRRSA-N 2 2 331.464 1.684 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000237166704 139042642 /nfs/dbraw/zinc/04/26/42/139042642.db2.gz ODRSBHKKEUHMQJ-LJQANCHMSA-N 2 2 331.460 1.872 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)c3csc(C[NH3+])n3)c[nH+]2)CCO1 ZINC000237442918 139051507 /nfs/dbraw/zinc/05/15/07/139051507.db2.gz PWYGTUQWUCTCQY-LLVKDONJSA-N 2 2 347.444 1.152 20 0 EDADLP C[C@]1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCC[NH2+]C1 ZINC000237556448 139053969 /nfs/dbraw/zinc/05/39/69/139053969.db2.gz UGVWNQAJENRSND-IBGZPJMESA-N 2 2 326.444 1.980 20 0 EDADLP C[C@H](CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)C1CC[NH2+]CC1 ZINC000237590584 139054934 /nfs/dbraw/zinc/05/49/34/139054934.db2.gz OARSBWXWPRIMTD-GFCCVEGCSA-N 2 2 337.468 1.508 20 0 EDADLP C[C@H](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)C1CC[NH2+]CC1 ZINC000237669564 139057638 /nfs/dbraw/zinc/05/76/38/139057638.db2.gz FTLNPYCGDFSQSC-OAHLLOKOSA-N 2 2 346.475 1.560 20 0 EDADLP [NH3+]CCCCCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000237988039 139065777 /nfs/dbraw/zinc/06/57/77/139065777.db2.gz PIAPWXSDGNWYLD-INIZCTEOSA-N 2 2 329.510 1.220 20 0 EDADLP [NH3+]Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000238023408 139066880 /nfs/dbraw/zinc/06/68/80/139066880.db2.gz WBSFCBCJWMNVFR-UHFFFAOYSA-N 2 2 330.457 1.950 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000245432619 139074500 /nfs/dbraw/zinc/07/45/00/139074500.db2.gz OSXJEKYLATUYKP-ULQDDVLXSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245500867 139077056 /nfs/dbraw/zinc/07/70/56/139077056.db2.gz AEYMRAWCYNYDOZ-CVEARBPZSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245500867 139077057 /nfs/dbraw/zinc/07/70/57/139077057.db2.gz AEYMRAWCYNYDOZ-CVEARBPZSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000245938320 139090517 /nfs/dbraw/zinc/09/05/17/139090517.db2.gz ANJXHDIYWMCMSA-HLLBOEOZSA-N 2 2 347.459 1.426 20 0 EDADLP O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000246111239 139095400 /nfs/dbraw/zinc/09/54/00/139095400.db2.gz ZTVOQDLTVFNPRR-MSOLQXFVSA-N 2 2 336.501 1.718 20 0 EDADLP O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000246111239 139095401 /nfs/dbraw/zinc/09/54/01/139095401.db2.gz ZTVOQDLTVFNPRR-MSOLQXFVSA-N 2 2 336.501 1.718 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415299183 304188494 /nfs/dbraw/zinc/18/84/94/304188494.db2.gz HRRIAEKGPUGSHA-KRWDZBQOSA-N 2 2 335.452 1.722 20 0 EDADLP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246659504 139116603 /nfs/dbraw/zinc/11/66/03/139116603.db2.gz DEWVSZKEGAFNGC-UKRRQHHQSA-N 2 2 325.478 1.811 20 0 EDADLP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246659504 139116604 /nfs/dbraw/zinc/11/66/04/139116604.db2.gz DEWVSZKEGAFNGC-UKRRQHHQSA-N 2 2 325.478 1.811 20 0 EDADLP C[C@H](c1cccc(S(N)(=O)=O)c1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000246659504 139116605 /nfs/dbraw/zinc/11/66/05/139116605.db2.gz DEWVSZKEGAFNGC-UKRRQHHQSA-N 2 2 325.478 1.811 20 0 EDADLP C[C@H](c1cccc(S(N)(=O)=O)c1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000246659504 139116606 /nfs/dbraw/zinc/11/66/06/139116606.db2.gz DEWVSZKEGAFNGC-UKRRQHHQSA-N 2 2 325.478 1.811 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266041380 248056321 /nfs/dbraw/zinc/05/63/21/248056321.db2.gz WBTVCCPQEXCWOV-OALUTQOASA-N 2 2 348.487 1.697 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266041380 248056327 /nfs/dbraw/zinc/05/63/27/248056327.db2.gz WBTVCCPQEXCWOV-OALUTQOASA-N 2 2 348.487 1.697 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000568371880 306480001 /nfs/dbraw/zinc/48/00/01/306480001.db2.gz HVQXWDKNBOXYSW-FVQBIDKESA-N 2 2 327.432 1.807 20 0 EDADLP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000415362794 304204164 /nfs/dbraw/zinc/20/41/64/304204164.db2.gz CDWWPSISHZOMFN-UHFFFAOYSA-N 2 2 342.399 1.847 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)ccc2n1C ZINC000568488075 306482487 /nfs/dbraw/zinc/48/24/87/306482487.db2.gz VGRFHOYLYPMJOL-ZDUSSCGKSA-N 2 2 343.431 1.408 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000334064881 284666061 /nfs/dbraw/zinc/66/60/61/284666061.db2.gz QGLCJNGNYIRHSW-HUUCEWRRSA-N 2 2 336.484 1.149 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415376856 304208047 /nfs/dbraw/zinc/20/80/47/304208047.db2.gz NMZMNTLYHWWIAT-AWEZNQCLSA-N 2 2 327.388 1.021 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000247373851 139146145 /nfs/dbraw/zinc/14/61/45/139146145.db2.gz PJKRRHLGCHVKOQ-HUUCEWRRSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000247373851 139146146 /nfs/dbraw/zinc/14/61/46/139146146.db2.gz PJKRRHLGCHVKOQ-HUUCEWRRSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000247373851 139146147 /nfs/dbraw/zinc/14/61/47/139146147.db2.gz PJKRRHLGCHVKOQ-HUUCEWRRSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000247373851 139146148 /nfs/dbraw/zinc/14/61/48/139146148.db2.gz PJKRRHLGCHVKOQ-HUUCEWRRSA-N 2 2 326.485 1.125 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)sc2n1 ZINC000248131954 139158608 /nfs/dbraw/zinc/15/86/08/139158608.db2.gz OOECYLPQTYOWQG-QWHCGFSZSA-N 2 2 333.461 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)sc2n1 ZINC000248131954 139158609 /nfs/dbraw/zinc/15/86/09/139158609.db2.gz OOECYLPQTYOWQG-QWHCGFSZSA-N 2 2 333.461 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)sc2n1 ZINC000248131954 139158610 /nfs/dbraw/zinc/15/86/10/139158610.db2.gz OOECYLPQTYOWQG-QWHCGFSZSA-N 2 2 333.461 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)sc2n1 ZINC000248131954 139158611 /nfs/dbraw/zinc/15/86/11/139158611.db2.gz OOECYLPQTYOWQG-QWHCGFSZSA-N 2 2 333.461 1.376 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415412136 304216582 /nfs/dbraw/zinc/21/65/82/304216582.db2.gz BTNYQJUENLYNAZ-LBPRGKRZSA-N 2 2 343.431 1.507 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000093821172 218253362 /nfs/dbraw/zinc/25/33/62/218253362.db2.gz QHMOMBNXGPLBMU-GOSISDBHSA-N 2 2 341.455 1.701 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000093821172 218253364 /nfs/dbraw/zinc/25/33/64/218253364.db2.gz QHMOMBNXGPLBMU-GOSISDBHSA-N 2 2 341.455 1.701 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCCC[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000253540805 139206627 /nfs/dbraw/zinc/20/66/27/139206627.db2.gz IQJFIZNNOJIRKG-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261594402 139209524 /nfs/dbraw/zinc/20/95/24/139209524.db2.gz NOPDGECSBMQURU-WMZOPIPTSA-N 2 2 331.460 1.393 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261594402 139209525 /nfs/dbraw/zinc/20/95/25/139209525.db2.gz NOPDGECSBMQURU-WMZOPIPTSA-N 2 2 331.460 1.393 20 0 EDADLP Cc1sc2[nH]c(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)nc(=O)c2c1C ZINC000261627993 139212626 /nfs/dbraw/zinc/21/26/26/139212626.db2.gz GZIFEZSHMOQMBJ-ZDUSSCGKSA-N 2 2 347.488 1.493 20 0 EDADLP Cc1sc2[nH]c(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)nc(=O)c2c1C ZINC000261627993 139212627 /nfs/dbraw/zinc/21/26/27/139212627.db2.gz GZIFEZSHMOQMBJ-ZDUSSCGKSA-N 2 2 347.488 1.493 20 0 EDADLP COc1cc(C(=O)N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)ccc1C ZINC000261693422 139218118 /nfs/dbraw/zinc/21/81/18/139218118.db2.gz BLATXHAXWBYIOZ-LJQANCHMSA-N 2 2 331.460 1.761 20 0 EDADLP C[C@@]1(C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000261731054 139221444 /nfs/dbraw/zinc/22/14/44/139221444.db2.gz HDTLRHMLZATGQR-QGZVFWFLSA-N 2 2 337.489 1.429 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CC[C@](C)(C[NH3+])C3)C2=O)c1 ZINC000261718513 139220200 /nfs/dbraw/zinc/22/02/00/139220200.db2.gz JEIPUQVWTFCIOA-SJLPKXTDSA-N 2 2 333.432 1.480 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@H+]3CC[C@](C)(C[NH3+])C3)C2=O)c1 ZINC000261718513 139220201 /nfs/dbraw/zinc/22/02/01/139220201.db2.gz JEIPUQVWTFCIOA-SJLPKXTDSA-N 2 2 333.432 1.480 20 0 EDADLP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261902380 139235348 /nfs/dbraw/zinc/23/53/48/139235348.db2.gz RVGVRNUSVNLJRT-SOUVJXGZSA-N 2 2 349.479 1.834 20 0 EDADLP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261902380 139235349 /nfs/dbraw/zinc/23/53/49/139235349.db2.gz RVGVRNUSVNLJRT-SOUVJXGZSA-N 2 2 349.479 1.834 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000261964497 139240403 /nfs/dbraw/zinc/24/04/03/139240403.db2.gz HQAMOWVQQOPVGN-SFHVURJKSA-N 3 2 341.459 1.692 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000261964497 139240404 /nfs/dbraw/zinc/24/04/04/139240404.db2.gz HQAMOWVQQOPVGN-SFHVURJKSA-N 3 2 341.459 1.692 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000262007490 139243444 /nfs/dbraw/zinc/24/34/44/139243444.db2.gz BOUYZFJZPBBZQM-GOEBONIOSA-N 2 2 348.834 1.658 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCC([NH3+])CC2)[nH+]cc1Br ZINC000415783322 251027001 /nfs/dbraw/zinc/02/70/01/251027001.db2.gz CVHXFHFSAJBXKD-UHFFFAOYSA-N 2 2 342.241 1.865 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000415847088 251033325 /nfs/dbraw/zinc/03/33/25/251033325.db2.gz BICQAPJBJSRMJV-OAHLLOKOSA-N 2 2 346.431 1.265 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000416989025 251118955 /nfs/dbraw/zinc/11/89/55/251118955.db2.gz VFYSNVIHFKLAEL-ZBFHGGJFSA-N 2 2 347.463 1.235 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000416989024 251119312 /nfs/dbraw/zinc/11/93/12/251119312.db2.gz VFYSNVIHFKLAEL-HOCLYGCPSA-N 2 2 347.463 1.235 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000416988106 251120033 /nfs/dbraw/zinc/12/00/33/251120033.db2.gz NLKVQZTXXPWXDV-UHFFFAOYSA-N 2 2 327.379 1.465 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000262317016 139269459 /nfs/dbraw/zinc/26/94/59/139269459.db2.gz UTZWDHJWRAZTFH-IAGOWNOFSA-N 2 2 330.476 1.890 20 0 EDADLP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000416997605 251123573 /nfs/dbraw/zinc/12/35/73/251123573.db2.gz XPICYUXTOZMXTO-CVEARBPZSA-N 2 2 331.464 1.999 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@H]1C ZINC000417270592 251152622 /nfs/dbraw/zinc/15/26/22/251152622.db2.gz OIQNHUZWTYGFCA-OLZOCXBDSA-N 2 2 331.395 1.903 20 0 EDADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4C[C@H](O)C[NH2+]4)cc3)[nH+]c12 ZINC000262349698 139272275 /nfs/dbraw/zinc/27/22/75/139272275.db2.gz HFRIBIMPPSOHPW-JKSUJKDBSA-N 2 2 336.395 1.971 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417665711 251219134 /nfs/dbraw/zinc/21/91/34/251219134.db2.gz ZLOCRYLGURSZIJ-WFASDCNBSA-N 2 2 340.418 1.961 20 0 EDADLP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)n(C)n1 ZINC000417862281 251302569 /nfs/dbraw/zinc/30/25/69/251302569.db2.gz BZXYJGXCZCSFNN-UHFFFAOYSA-N 2 2 327.476 1.766 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418527831 251375547 /nfs/dbraw/zinc/37/55/47/251375547.db2.gz UOHYHEMKKRPQOD-GFCCVEGCSA-N 2 2 341.406 1.702 20 0 EDADLP [NH3+][C@@H]1CC[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000262664785 139294502 /nfs/dbraw/zinc/29/45/02/139294502.db2.gz IVBVZWXYOOUEJR-HUUCEWRRSA-N 2 2 344.459 1.333 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCCO[C@@H]3CCOC3)c2cc1C ZINC000569568221 306510850 /nfs/dbraw/zinc/51/08/50/306510850.db2.gz IONOXLMMNBGNDA-DLBZAZTESA-N 2 2 347.459 1.799 20 0 EDADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422851521 252000886 /nfs/dbraw/zinc/00/08/86/252000886.db2.gz WXBUPEXVYKJREQ-MJGOQNOKSA-N 4 2 331.508 1.571 20 0 EDADLP Cc1nc(N2CCN(C(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC000423784706 252072318 /nfs/dbraw/zinc/07/23/18/252072318.db2.gz QJSAVVPSIPNOSD-GOEBONIOSA-N 2 2 331.464 1.459 20 0 EDADLP CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CCC[NH2+]1 ZINC000422992794 252023208 /nfs/dbraw/zinc/02/32/08/252023208.db2.gz DMJQIQOJHGVFPR-OLZOCXBDSA-N 2 2 331.507 1.455 20 0 EDADLP Cc1nc(N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc[nH+]1 ZINC000423792923 252077410 /nfs/dbraw/zinc/07/74/10/252077410.db2.gz ZRPJALOIYXKBIY-MQVJKMGUSA-N 2 2 329.448 1.354 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000424143154 252140923 /nfs/dbraw/zinc/14/09/23/252140923.db2.gz ZFFWGNJZGIMKKL-CYBMUJFWSA-N 2 2 342.447 1.278 20 0 EDADLP O=C(Nc1ccccc1-n1cc[nH+]c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424132892 252136330 /nfs/dbraw/zinc/13/63/30/252136330.db2.gz LBFTZVBXTWVVRK-CYBMUJFWSA-N 2 2 337.387 1.641 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424298472 252192573 /nfs/dbraw/zinc/19/25/73/252192573.db2.gz DGFFHSYXWHLMEC-HZPDHXFCSA-N 2 2 349.475 1.912 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000262972103 139316123 /nfs/dbraw/zinc/31/61/23/139316123.db2.gz XRWNOUMPGYMUJN-CHWSQXEVSA-N 2 2 341.402 1.409 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000262972103 139316124 /nfs/dbraw/zinc/31/61/24/139316124.db2.gz XRWNOUMPGYMUJN-CHWSQXEVSA-N 2 2 341.402 1.409 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC3(C2)CCCCC3)CN1CC[NH+]1CCOCC1 ZINC000421341811 296343127 /nfs/dbraw/zinc/34/31/27/296343127.db2.gz KWKLDKOFAQTNAK-MRXNPFEDSA-N 2 2 335.492 1.622 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000569820576 306521869 /nfs/dbraw/zinc/52/18/69/306521869.db2.gz WQFFYSIURFBLLT-IAGOWNOFSA-N 2 2 332.448 1.111 20 0 EDADLP CSc1cncc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000132912694 533064460 /nfs/dbraw/zinc/06/44/60/533064460.db2.gz GFZUCTXKBXJZSR-YIONKMFJSA-N 2 2 333.505 1.946 20 0 EDADLP CSc1cncc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000132912694 533064467 /nfs/dbraw/zinc/06/44/67/533064467.db2.gz GFZUCTXKBXJZSR-YIONKMFJSA-N 2 2 333.505 1.946 20 0 EDADLP O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000415702630 304259275 /nfs/dbraw/zinc/25/92/75/304259275.db2.gz DPEJULQPLWLZFD-HNNXBMFYSA-N 2 2 328.420 1.980 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570306828 306536900 /nfs/dbraw/zinc/53/69/00/306536900.db2.gz YXHRXXGKGWUJTH-ROUUACIJSA-N 2 2 339.443 1.682 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccco1 ZINC000263743479 139357249 /nfs/dbraw/zinc/35/72/49/139357249.db2.gz IPDPZDBIXDHZJF-AWEZNQCLSA-N 2 2 331.420 1.915 20 0 EDADLP CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000459802911 255003337 /nfs/dbraw/zinc/00/33/37/255003337.db2.gz NDNFHPAGRWYUBY-CVEARBPZSA-N 2 2 337.489 1.549 20 0 EDADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CS1 ZINC000488421670 255043309 /nfs/dbraw/zinc/04/33/09/255043309.db2.gz TUSUUMAQSXMYFX-DLBZAZTESA-N 2 2 343.581 1.886 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000491832677 255150845 /nfs/dbraw/zinc/15/08/45/255150845.db2.gz SMTWPBAPKYTUEH-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000491832677 255150846 /nfs/dbraw/zinc/15/08/46/255150846.db2.gz SMTWPBAPKYTUEH-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](C)C/C=C\C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000491852502 255152526 /nfs/dbraw/zinc/15/25/26/255152526.db2.gz TZFYDQYZEOPOJY-ALCCZGGFSA-N 2 2 327.432 1.096 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000493541514 255214547 /nfs/dbraw/zinc/21/45/47/255214547.db2.gz GENGZBSPJCWOFG-GASCZTMLSA-N 2 2 336.505 1.075 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000493715826 255219984 /nfs/dbraw/zinc/21/99/84/255219984.db2.gz BMCIBSGNSBVOJQ-OZSKJFCKSA-N 2 2 340.427 1.696 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000493715826 255219985 /nfs/dbraw/zinc/21/99/85/255219985.db2.gz BMCIBSGNSBVOJQ-OZSKJFCKSA-N 2 2 340.427 1.696 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000493715956 255220075 /nfs/dbraw/zinc/22/00/75/255220075.db2.gz BKPZOCPSYFLNOS-KQLNYGGHSA-N 2 2 332.448 1.628 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000493155912 255193857 /nfs/dbraw/zinc/19/38/57/255193857.db2.gz NJOGVYAZCOBWAJ-MOEXGYKKSA-N 2 2 326.400 1.301 20 0 EDADLP O=C(CC[NH2+]Cc1cncc(F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000494590642 255255161 /nfs/dbraw/zinc/25/51/61/255255161.db2.gz GBLQYDQSNZMZJO-UHFFFAOYSA-N 2 2 343.406 1.444 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCCC2)CCO1 ZINC000494688336 255257986 /nfs/dbraw/zinc/25/79/86/255257986.db2.gz HNIQODIBCXAUEW-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCCC2)CCO1 ZINC000494688336 255257987 /nfs/dbraw/zinc/25/79/87/255257987.db2.gz HNIQODIBCXAUEW-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CCCC2)CCO1 ZINC000494859496 255263551 /nfs/dbraw/zinc/26/35/51/255263551.db2.gz OOKQZNDVPGINKW-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CCCC2)CCO1 ZINC000494859496 255263552 /nfs/dbraw/zinc/26/35/52/255263552.db2.gz OOKQZNDVPGINKW-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000494859496 255263553 /nfs/dbraw/zinc/26/35/53/255263553.db2.gz OOKQZNDVPGINKW-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000494859496 255263554 /nfs/dbraw/zinc/26/35/54/255263554.db2.gz OOKQZNDVPGINKW-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP c1nc(N2CC[NH+](C[C@H]3CCSC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000494987414 255265046 /nfs/dbraw/zinc/26/50/46/255265046.db2.gz UIHJRLZTSGQIPU-OAHLLOKOSA-N 2 2 349.504 1.188 20 0 EDADLP CCc1cc(N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nc(C)[nH+]1 ZINC000495120665 255269328 /nfs/dbraw/zinc/26/93/28/255269328.db2.gz CTQRPHOIRBKDGO-HNNXBMFYSA-N 2 2 349.479 1.993 20 0 EDADLP CCc1cc(N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nc(C)[nH+]1 ZINC000495120665 255269329 /nfs/dbraw/zinc/26/93/29/255269329.db2.gz CTQRPHOIRBKDGO-HNNXBMFYSA-N 2 2 349.479 1.993 20 0 EDADLP C[N@H+](CC[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496286920 255375543 /nfs/dbraw/zinc/37/55/43/255375543.db2.gz WNCKPLVDFRHGDZ-GOSISDBHSA-N 2 2 341.496 1.822 20 0 EDADLP C[N@@H+](CC[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496286920 255375544 /nfs/dbraw/zinc/37/55/44/255375544.db2.gz WNCKPLVDFRHGDZ-GOSISDBHSA-N 2 2 341.496 1.822 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000118843143 221194804 /nfs/dbraw/zinc/19/48/04/221194804.db2.gz HETIRVSZBHZNCK-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000118843143 221194807 /nfs/dbraw/zinc/19/48/07/221194807.db2.gz HETIRVSZBHZNCK-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000118843143 221194810 /nfs/dbraw/zinc/19/48/10/221194810.db2.gz HETIRVSZBHZNCK-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000118843143 221194812 /nfs/dbraw/zinc/19/48/12/221194812.db2.gz HETIRVSZBHZNCK-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000119502012 221334626 /nfs/dbraw/zinc/33/46/26/221334626.db2.gz NFPMXCIKLXSUCS-INIZCTEOSA-N 2 2 339.443 1.866 20 0 EDADLP CSC[C@@](C)(O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119579290 221353082 /nfs/dbraw/zinc/35/30/82/221353082.db2.gz WYCSBAWKCLGDFC-HNNXBMFYSA-N 2 2 330.417 1.736 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2[nH+]ccn2C)cn1 ZINC000264180512 139384959 /nfs/dbraw/zinc/38/49/59/139384959.db2.gz NDCZGJSEFUJJPC-UHFFFAOYSA-N 2 2 325.376 1.309 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000264255020 139390504 /nfs/dbraw/zinc/39/05/04/139390504.db2.gz ZIWWPVSCAACJRW-UHFFFAOYSA-N 2 2 327.432 1.490 20 0 EDADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000570725507 306549429 /nfs/dbraw/zinc/54/94/29/306549429.db2.gz UGXIGCXXMNDVGP-WMZOPIPTSA-N 2 2 330.476 1.313 20 0 EDADLP COc1ccc(/C=C/C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1O ZINC000187699746 533234598 /nfs/dbraw/zinc/23/45/98/533234598.db2.gz KPNWCNBNJNHLLL-FNORWQNLSA-N 2 2 347.459 1.556 20 0 EDADLP COC[C@H]([NH2+][C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)C1CC1 ZINC000345293879 285414905 /nfs/dbraw/zinc/41/49/05/285414905.db2.gz BROWZKZYCQYGQP-MPGHIAIKSA-N 2 2 332.448 1.629 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cc1F ZINC000163774051 533559784 /nfs/dbraw/zinc/55/97/84/533559784.db2.gz VLRTYTAHGZEMAP-OAHLLOKOSA-N 2 2 335.423 1.621 20 0 EDADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C1(CO)CCCC1 ZINC000571643862 306571119 /nfs/dbraw/zinc/57/11/19/306571119.db2.gz YSNRGQUMEHLDQT-BRSBDYLESA-N 2 2 342.524 1.623 20 0 EDADLP C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269829004 140002048 /nfs/dbraw/zinc/00/20/48/140002048.db2.gz PGRUGNABHKLBIO-PKOBYXMFSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000269829004 140002050 /nfs/dbraw/zinc/00/20/50/140002050.db2.gz PGRUGNABHKLBIO-PKOBYXMFSA-N 2 2 345.487 1.566 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000270473003 140106804 /nfs/dbraw/zinc/10/68/04/140106804.db2.gz CIEPYZJYRYQECW-QGZVFWFLSA-N 2 2 330.432 1.120 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(C(=O)OC)o3)C2)CC1 ZINC000271598422 140317714 /nfs/dbraw/zinc/31/77/14/140317714.db2.gz HPIUBOWMKNIUEF-CABCVRRESA-N 2 2 335.448 1.839 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(C(=O)OC)o3)C2)CC1 ZINC000271598422 140317717 /nfs/dbraw/zinc/31/77/17/140317717.db2.gz HPIUBOWMKNIUEF-CABCVRRESA-N 2 2 335.448 1.839 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)ccc2[nH+]1 ZINC000271612143 140319944 /nfs/dbraw/zinc/31/99/44/140319944.db2.gz HCKVTRGOQPBXSA-HNNXBMFYSA-N 2 2 339.399 1.054 20 0 EDADLP COC(=O)c1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc(C(=O)OC)c1 ZINC000271723477 140339670 /nfs/dbraw/zinc/33/96/70/140339670.db2.gz RVGYMQAFLKKWLU-UHFFFAOYSA-N 2 2 345.399 1.978 20 0 EDADLP COC(=O)c1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc(C(=O)OC)c1 ZINC000271723477 140339672 /nfs/dbraw/zinc/33/96/72/140339672.db2.gz RVGYMQAFLKKWLU-UHFFFAOYSA-N 2 2 345.399 1.978 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332500289 141191998 /nfs/dbraw/zinc/19/19/98/141191998.db2.gz YNXAAWLZKGKTDD-CVEARBPZSA-N 2 2 348.495 1.134 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+]1CCCCC1 ZINC000332519583 141195025 /nfs/dbraw/zinc/19/50/25/141195025.db2.gz QYHYCZSSVJRGPY-KRWDZBQOSA-N 2 2 333.480 1.564 20 0 EDADLP C[C@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C[NH3+] ZINC000332528600 141196693 /nfs/dbraw/zinc/19/66/93/141196693.db2.gz GDRNFBSEWDAIHE-GJZGRUSLSA-N 2 2 331.464 1.677 20 0 EDADLP Cc1nc2cncc(N3CC[NH+](CC[C@H]4CCC[N@H+]4C)CC3)n2n1 ZINC000333010985 141249957 /nfs/dbraw/zinc/24/99/57/141249957.db2.gz FVDNHJOEYGMYQQ-OAHLLOKOSA-N 2 2 329.452 1.039 20 0 EDADLP Cc1nc2cncc(N3CC[NH+](CC[C@H]4CCC[N@@H+]4C)CC3)n2n1 ZINC000333010985 141249959 /nfs/dbraw/zinc/24/99/59/141249959.db2.gz FVDNHJOEYGMYQQ-OAHLLOKOSA-N 2 2 329.452 1.039 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333135473 141270122 /nfs/dbraw/zinc/27/01/22/141270122.db2.gz CGUOLEDCUOXNSM-HNNXBMFYSA-N 2 2 329.448 1.445 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333387373 141309960 /nfs/dbraw/zinc/30/99/60/141309960.db2.gz OGSAUPUUGSQIFB-IRXDYDNUSA-N 2 2 343.475 1.691 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000333426599 141316197 /nfs/dbraw/zinc/31/61/97/141316197.db2.gz JHEAIYWKHKIKHR-RDJZCZTQSA-N 2 2 349.479 1.812 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1=CC[N@H+](C)CC1 ZINC000333450483 141318922 /nfs/dbraw/zinc/31/89/22/141318922.db2.gz NPIBOXGDHHJYSM-JLJPHGGASA-N 2 2 347.463 1.590 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1=CC[N@@H+](C)CC1 ZINC000333450483 141318923 /nfs/dbraw/zinc/31/89/23/141318923.db2.gz NPIBOXGDHHJYSM-JLJPHGGASA-N 2 2 347.463 1.590 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[C@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000333469148 141322454 /nfs/dbraw/zinc/32/24/54/141322454.db2.gz DBXPRSPRVNKQFE-MAUKXSAKSA-N 2 2 331.464 1.265 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[C@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000333469148 141322455 /nfs/dbraw/zinc/32/24/55/141322455.db2.gz DBXPRSPRVNKQFE-MAUKXSAKSA-N 2 2 331.464 1.265 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCn2cc[nH+]c2C1)CC(C)C ZINC000340002996 142231227 /nfs/dbraw/zinc/23/12/27/142231227.db2.gz VRSIPDRKFHACPP-OAHLLOKOSA-N 2 2 349.479 1.098 20 0 EDADLP O[C@H](C[NH2+][C@@H]1COc2ccccc2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000340173757 142291847 /nfs/dbraw/zinc/29/18/47/142291847.db2.gz VWRITMNCFOSGEA-VQTJNVASSA-N 2 2 338.451 1.999 20 0 EDADLP O[C@H](C[NH2+][C@@H]1COc2ccccc2C1)C[N@H+]1CCc2ccccc2C1 ZINC000340173757 142291849 /nfs/dbraw/zinc/29/18/49/142291849.db2.gz VWRITMNCFOSGEA-VQTJNVASSA-N 2 2 338.451 1.999 20 0 EDADLP C[C@@H](C[C@@H]1CCCO1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340254557 142321003 /nfs/dbraw/zinc/32/10/03/142321003.db2.gz OWTCWINMVRQNGD-HOCLYGCPSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nn1C ZINC000340389024 142372075 /nfs/dbraw/zinc/37/20/75/142372075.db2.gz BJTODDOSRQBARQ-WZYMTQMTSA-N 2 2 333.480 1.463 20 0 EDADLP Cc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nn1C ZINC000340389024 142372076 /nfs/dbraw/zinc/37/20/76/142372076.db2.gz BJTODDOSRQBARQ-WZYMTQMTSA-N 2 2 333.480 1.463 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CN2CC[NH+](CC)CC2)C1 ZINC000345258707 143070415 /nfs/dbraw/zinc/07/04/15/143070415.db2.gz CGGLQAYCBIVLGF-MRXNPFEDSA-N 2 2 333.480 1.247 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000345289710 143073713 /nfs/dbraw/zinc/07/37/13/143073713.db2.gz KSEDPMTWKJIYIN-JTDSTZFVSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000345289710 143073714 /nfs/dbraw/zinc/07/37/14/143073714.db2.gz KSEDPMTWKJIYIN-JTDSTZFVSA-N 2 2 345.487 1.735 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[N@@H+]1C ZINC000345319950 143077327 /nfs/dbraw/zinc/07/73/27/143077327.db2.gz MQRSBGDLQGOEES-LPHOPBHVSA-N 2 2 344.503 1.647 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[N@H+]1C ZINC000345319950 143077328 /nfs/dbraw/zinc/07/73/28/143077328.db2.gz MQRSBGDLQGOEES-LPHOPBHVSA-N 2 2 344.503 1.647 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000345328783 143078593 /nfs/dbraw/zinc/07/85/93/143078593.db2.gz XNKHZAQRHYEKRW-HZPDHXFCSA-N 2 2 333.480 1.327 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000345328783 143078594 /nfs/dbraw/zinc/07/85/94/143078594.db2.gz XNKHZAQRHYEKRW-HZPDHXFCSA-N 2 2 333.480 1.327 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000345630773 143114243 /nfs/dbraw/zinc/11/42/43/143114243.db2.gz CKFYAYWMOHRLSY-QAPCUYQASA-N 2 2 336.501 1.921 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000345630773 143114244 /nfs/dbraw/zinc/11/42/44/143114244.db2.gz CKFYAYWMOHRLSY-QAPCUYQASA-N 2 2 336.501 1.921 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)COCC(F)F)CC1 ZINC000345736196 143127277 /nfs/dbraw/zinc/12/72/77/143127277.db2.gz BBHMYBJVKDYTAV-UHFFFAOYSA-N 2 2 335.439 1.437 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000345915900 143146779 /nfs/dbraw/zinc/14/67/79/143146779.db2.gz IUAKANXVVQULLD-LNLFQRSKSA-N 2 2 345.487 1.829 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000345915900 143146780 /nfs/dbraw/zinc/14/67/80/143146780.db2.gz IUAKANXVVQULLD-LNLFQRSKSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000345915900 143146781 /nfs/dbraw/zinc/14/67/81/143146781.db2.gz IUAKANXVVQULLD-LNLFQRSKSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@@H]1C ZINC000345915900 143146782 /nfs/dbraw/zinc/14/67/82/143146782.db2.gz IUAKANXVVQULLD-LNLFQRSKSA-N 2 2 345.487 1.829 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000346419766 143202807 /nfs/dbraw/zinc/20/28/07/143202807.db2.gz YMMRYEMHYCINCB-ZFWWWQNUSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000346419766 143202808 /nfs/dbraw/zinc/20/28/08/143202808.db2.gz YMMRYEMHYCINCB-ZFWWWQNUSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000346419766 143202809 /nfs/dbraw/zinc/20/28/09/143202809.db2.gz YMMRYEMHYCINCB-ZFWWWQNUSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000346419766 143202810 /nfs/dbraw/zinc/20/28/10/143202810.db2.gz YMMRYEMHYCINCB-ZFWWWQNUSA-N 2 2 346.431 1.223 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)CC1 ZINC000346439873 143204945 /nfs/dbraw/zinc/20/49/45/143204945.db2.gz UKZQFGIDIFKKJN-IRXDYDNUSA-N 2 2 328.460 1.922 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)CC1 ZINC000346439873 143204946 /nfs/dbraw/zinc/20/49/46/143204946.db2.gz UKZQFGIDIFKKJN-IRXDYDNUSA-N 2 2 328.460 1.922 20 0 EDADLP CCC[NH+]1CCC([NH2+]C2CN(c3ccc(C(=O)OCC)cn3)C2)CC1 ZINC000346830316 143249836 /nfs/dbraw/zinc/24/98/36/143249836.db2.gz KWHXQARHMJCOSB-UHFFFAOYSA-N 2 2 346.475 1.911 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000346847077 143251187 /nfs/dbraw/zinc/25/11/87/143251187.db2.gz DSVPXXAUIURNKP-SJORKVTESA-N 2 2 338.496 1.223 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000346847077 143251188 /nfs/dbraw/zinc/25/11/88/143251188.db2.gz DSVPXXAUIURNKP-SJORKVTESA-N 2 2 338.496 1.223 20 0 EDADLP CN(CC1CC1)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346947057 143264986 /nfs/dbraw/zinc/26/49/86/143264986.db2.gz ZKSLTVGPOWRHSA-LPHOPBHVSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346947057 143264987 /nfs/dbraw/zinc/26/49/87/143264987.db2.gz ZKSLTVGPOWRHSA-LPHOPBHVSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346947057 143264988 /nfs/dbraw/zinc/26/49/88/143264988.db2.gz ZKSLTVGPOWRHSA-LPHOPBHVSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346947057 143264989 /nfs/dbraw/zinc/26/49/89/143264989.db2.gz ZKSLTVGPOWRHSA-LPHOPBHVSA-N 2 2 347.507 1.603 20 0 EDADLP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(OC(F)F)cc1C ZINC000347125240 143285422 /nfs/dbraw/zinc/28/54/22/143285422.db2.gz XRMLLTQDISUVQW-UHFFFAOYSA-N 2 2 341.402 1.768 20 0 EDADLP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(OC(F)F)cc1C ZINC000347125240 143285423 /nfs/dbraw/zinc/28/54/23/143285423.db2.gz XRMLLTQDISUVQW-UHFFFAOYSA-N 2 2 341.402 1.768 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347584762 143337632 /nfs/dbraw/zinc/33/76/32/143337632.db2.gz FKZTZMRQNNDTBI-UHFFFAOYSA-N 2 2 349.475 1.169 20 0 EDADLP CC[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1C[C@@H](C)O ZINC000347809102 143365812 /nfs/dbraw/zinc/36/58/12/143365812.db2.gz ITXDGVDWKITEGT-ZIAGYGMSSA-N 2 2 326.510 1.482 20 0 EDADLP CC[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1C[C@@H](C)O ZINC000347809102 143365813 /nfs/dbraw/zinc/36/58/13/143365813.db2.gz ITXDGVDWKITEGT-ZIAGYGMSSA-N 2 2 326.510 1.482 20 0 EDADLP COC(=O)c1occc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000347844841 143369800 /nfs/dbraw/zinc/36/98/00/143369800.db2.gz XQYJLXDWPLJVBG-UHFFFAOYSA-N 2 2 333.388 1.691 20 0 EDADLP COC(=O)[C@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)[C@@H]1C(=O)OC ZINC000347847485 143369874 /nfs/dbraw/zinc/36/98/74/143369874.db2.gz GMQIIBFNTZIDBK-HOTGVXAUSA-N 2 2 334.416 1.749 20 0 EDADLP COC(=O)[C@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)[C@@H]1C(=O)OC ZINC000347847485 143369875 /nfs/dbraw/zinc/36/98/75/143369875.db2.gz GMQIIBFNTZIDBK-HOTGVXAUSA-N 2 2 334.416 1.749 20 0 EDADLP CN(Cc1ncc(C[NH+](C)C)s1)CC(C)(C)C[NH+]1CCOCC1 ZINC000347860886 143371476 /nfs/dbraw/zinc/37/14/76/143371476.db2.gz SKECSVXPQUJBAC-UHFFFAOYSA-N 2 2 340.537 1.995 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)s1 ZINC000347915912 143378801 /nfs/dbraw/zinc/37/88/01/143378801.db2.gz JTAVPNSDUFDKNN-UHFFFAOYSA-N 2 2 346.522 1.061 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)s1 ZINC000347915912 143378802 /nfs/dbraw/zinc/37/88/02/143378802.db2.gz JTAVPNSDUFDKNN-UHFFFAOYSA-N 2 2 346.522 1.061 20 0 EDADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000573098176 306611838 /nfs/dbraw/zinc/61/18/38/306611838.db2.gz GVPQBUOMFXHBPN-IEBWSBKVSA-N 2 2 341.459 1.986 20 0 EDADLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)C1(C)C ZINC000369842080 155199461 /nfs/dbraw/zinc/19/94/61/155199461.db2.gz SPDUURVEKLWGST-SJORKVTESA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416857836 304352427 /nfs/dbraw/zinc/35/24/27/304352427.db2.gz FFYYWVCMAGLMMJ-JKSUJKDBSA-N 2 2 346.475 1.398 20 0 EDADLP CC1CC[NH+](CCNC(=O)C2([NH+]3CCN(C)CC3)CCCC2)CC1 ZINC000369879791 155216632 /nfs/dbraw/zinc/21/66/32/155216632.db2.gz DXTWBWJYAXHISB-UHFFFAOYSA-N 2 2 336.524 1.395 20 0 EDADLP CC1CC[NH+](CCNC(=O)C2(N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000369879791 155216634 /nfs/dbraw/zinc/21/66/34/155216634.db2.gz DXTWBWJYAXHISB-UHFFFAOYSA-N 2 2 336.524 1.395 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416893559 304353471 /nfs/dbraw/zinc/35/34/71/304353471.db2.gz PPARMFRIZGUZMG-IAGOWNOFSA-N 2 2 332.448 1.063 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416864151 304353190 /nfs/dbraw/zinc/35/31/90/304353190.db2.gz OHXZLSWZZFQBFK-OAHLLOKOSA-N 2 2 334.464 1.445 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCCN2C(=O)CNC2=O)[nH+]1 ZINC000369900328 155221504 /nfs/dbraw/zinc/22/15/04/155221504.db2.gz NDLWWSONYLXRPE-CQSZACIVSA-N 2 2 331.420 1.208 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCCN2C(=O)CNC2=O)[nH+]1 ZINC000369900328 155221512 /nfs/dbraw/zinc/22/15/12/155221512.db2.gz NDLWWSONYLXRPE-CQSZACIVSA-N 2 2 331.420 1.208 20 0 EDADLP Cc1c([C@@H]2OCC[C@H]2[NH2+]Cc2ncc(C[NH+](C)C)s2)cnn1C ZINC000352742900 149145999 /nfs/dbraw/zinc/14/59/99/149145999.db2.gz REQKRJOQTQOEEM-ZBFHGGJFSA-N 2 2 335.477 1.866 20 0 EDADLP CCC[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCOC1 ZINC000352822864 149181327 /nfs/dbraw/zinc/18/13/27/149181327.db2.gz HPJNOSOBJODJIP-SFHVURJKSA-N 2 2 335.448 1.473 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000353024016 149256553 /nfs/dbraw/zinc/25/65/53/149256553.db2.gz NVICUYNGHYYACM-UHFFFAOYSA-N 2 2 338.496 1.559 20 0 EDADLP Cn1c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2oc1=O ZINC000353357212 149378309 /nfs/dbraw/zinc/37/83/09/149378309.db2.gz UEKAUBDJQGNHSJ-MRXNPFEDSA-N 2 2 345.443 1.676 20 0 EDADLP Cn1c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc2oc1=O ZINC000353357212 149378311 /nfs/dbraw/zinc/37/83/11/149378311.db2.gz UEKAUBDJQGNHSJ-MRXNPFEDSA-N 2 2 345.443 1.676 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354872320 150004493 /nfs/dbraw/zinc/00/44/93/150004493.db2.gz QCVYLYBNNSYIIB-GJZGRUSLSA-N 2 2 333.411 1.526 20 0 EDADLP Cc1nn(C)cc1C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354935984 150041781 /nfs/dbraw/zinc/04/17/81/150041781.db2.gz TYMOXDRQVQCUKY-HZPDHXFCSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1nn(C)cc1C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354935984 150041783 /nfs/dbraw/zinc/04/17/83/150041783.db2.gz TYMOXDRQVQCUKY-HZPDHXFCSA-N 2 2 334.443 1.506 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CCSC1 ZINC000355534645 150305522 /nfs/dbraw/zinc/30/55/22/150305522.db2.gz OXUAPERKVSVRLQ-SJLPKXTDSA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)no1 ZINC000355707824 150368207 /nfs/dbraw/zinc/36/82/07/150368207.db2.gz XTBUIZFMEDNSTD-UHFFFAOYSA-N 2 2 342.443 1.914 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)no1 ZINC000355707824 150368211 /nfs/dbraw/zinc/36/82/11/150368211.db2.gz XTBUIZFMEDNSTD-UHFFFAOYSA-N 2 2 342.443 1.914 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417034531 304363742 /nfs/dbraw/zinc/36/37/42/304363742.db2.gz QZMRHELEUKBWPV-MRXNPFEDSA-N 2 2 334.464 1.268 20 0 EDADLP [NH3+]CC[C@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357359594 151007297 /nfs/dbraw/zinc/00/72/97/151007297.db2.gz ZMEBEFRGGIRIQL-GOSISDBHSA-N 2 2 331.460 1.862 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000357628309 151091257 /nfs/dbraw/zinc/09/12/57/151091257.db2.gz PASSUJZDGQRMJO-CVEARBPZSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000357628309 151091258 /nfs/dbraw/zinc/09/12/58/151091258.db2.gz PASSUJZDGQRMJO-CVEARBPZSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000357646091 151099475 /nfs/dbraw/zinc/09/94/75/151099475.db2.gz KDYBMGVZWZKJID-HOTGVXAUSA-N 2 2 333.476 1.641 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000357646091 151099476 /nfs/dbraw/zinc/09/94/76/151099476.db2.gz KDYBMGVZWZKJID-HOTGVXAUSA-N 2 2 333.476 1.641 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C1CC[NH+](CCO)CC1 ZINC000357654743 151103974 /nfs/dbraw/zinc/10/39/74/151103974.db2.gz XKRLRGNMZMZJOH-UHFFFAOYSA-N 2 2 343.830 1.806 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C1CC[NH+](CCO)CC1 ZINC000357654743 151103976 /nfs/dbraw/zinc/10/39/76/151103976.db2.gz XKRLRGNMZMZJOH-UHFFFAOYSA-N 2 2 343.830 1.806 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](CCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000357812227 151158878 /nfs/dbraw/zinc/15/88/78/151158878.db2.gz GUTABHKJLKIBHH-SFHVURJKSA-N 2 2 331.460 1.035 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](CCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000357812227 151158881 /nfs/dbraw/zinc/15/88/81/151158881.db2.gz GUTABHKJLKIBHH-SFHVURJKSA-N 2 2 331.460 1.035 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000357835780 151167219 /nfs/dbraw/zinc/16/72/19/151167219.db2.gz UQNUJYVVARYMCF-IXDOHACOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000357835780 151167220 /nfs/dbraw/zinc/16/72/20/151167220.db2.gz UQNUJYVVARYMCF-IXDOHACOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000357835780 151167221 /nfs/dbraw/zinc/16/72/21/151167221.db2.gz UQNUJYVVARYMCF-IXDOHACOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000357835780 151167222 /nfs/dbraw/zinc/16/72/22/151167222.db2.gz UQNUJYVVARYMCF-IXDOHACOSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC(C)(C)O ZINC000357998869 151228698 /nfs/dbraw/zinc/22/86/98/151228698.db2.gz FNMZDBJNGKUJKQ-UHFFFAOYSA-N 2 2 347.503 1.814 20 0 EDADLP CCC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC(C)(C)O ZINC000357998869 151228700 /nfs/dbraw/zinc/22/87/00/151228700.db2.gz FNMZDBJNGKUJKQ-UHFFFAOYSA-N 2 2 347.503 1.814 20 0 EDADLP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCn2cc[nH+]c2C1 ZINC000358117624 151277383 /nfs/dbraw/zinc/27/73/83/151277383.db2.gz GRKOEXCJWZKMRH-UHFFFAOYSA-N 2 2 339.443 1.043 20 0 EDADLP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2noc(C)n2)CC1 ZINC000358218768 151309223 /nfs/dbraw/zinc/30/92/23/151309223.db2.gz GXOJSEARMLOJIO-HNNXBMFYSA-N 2 2 337.468 1.533 20 0 EDADLP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2noc(C)n2)CC1 ZINC000358218768 151309225 /nfs/dbraw/zinc/30/92/25/151309225.db2.gz GXOJSEARMLOJIO-HNNXBMFYSA-N 2 2 337.468 1.533 20 0 EDADLP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1 ZINC000358218768 151309226 /nfs/dbraw/zinc/30/92/26/151309226.db2.gz GXOJSEARMLOJIO-HNNXBMFYSA-N 2 2 337.468 1.533 20 0 EDADLP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000358218768 151309228 /nfs/dbraw/zinc/30/92/28/151309228.db2.gz GXOJSEARMLOJIO-HNNXBMFYSA-N 2 2 337.468 1.533 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(C)s1 ZINC000358343148 151343754 /nfs/dbraw/zinc/34/37/54/151343754.db2.gz ROGVCQLOYGUNJU-GXFFZTMASA-N 2 2 331.507 1.183 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(C)s1 ZINC000358343148 151343756 /nfs/dbraw/zinc/34/37/56/151343756.db2.gz ROGVCQLOYGUNJU-GXFFZTMASA-N 2 2 331.507 1.183 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)C1 ZINC000358343768 151344093 /nfs/dbraw/zinc/34/40/93/151344093.db2.gz ULVTYJFGDHBXCW-BXUZGUMPSA-N 2 2 345.534 1.573 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2cc(C)sc2C)C1 ZINC000358343768 151344095 /nfs/dbraw/zinc/34/40/95/151344095.db2.gz ULVTYJFGDHBXCW-BXUZGUMPSA-N 2 2 345.534 1.573 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370118935 155332536 /nfs/dbraw/zinc/33/25/36/155332536.db2.gz DPLHPSSTWWMMEY-OAHLLOKOSA-N 2 2 337.468 1.277 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000370118935 155332540 /nfs/dbraw/zinc/33/25/40/155332540.db2.gz DPLHPSSTWWMMEY-OAHLLOKOSA-N 2 2 337.468 1.277 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360563058 152097603 /nfs/dbraw/zinc/09/76/03/152097603.db2.gz NJIUIGUVDSPWPC-IBGZPJMESA-N 2 2 331.460 1.777 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360563058 152097605 /nfs/dbraw/zinc/09/76/05/152097605.db2.gz NJIUIGUVDSPWPC-IBGZPJMESA-N 2 2 331.460 1.777 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360562413 152097620 /nfs/dbraw/zinc/09/76/20/152097620.db2.gz LZGSLBMESWWLIW-IBGZPJMESA-N 2 2 331.460 1.525 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360562413 152097621 /nfs/dbraw/zinc/09/76/21/152097621.db2.gz LZGSLBMESWWLIW-IBGZPJMESA-N 2 2 331.460 1.525 20 0 EDADLP COc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000360761816 152192138 /nfs/dbraw/zinc/19/21/38/152192138.db2.gz ITKZKWYFTVEGKV-CQSZACIVSA-N 2 2 332.448 1.331 20 0 EDADLP COc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000360761816 152192140 /nfs/dbraw/zinc/19/21/40/152192140.db2.gz ITKZKWYFTVEGKV-CQSZACIVSA-N 2 2 332.448 1.331 20 0 EDADLP CCN(CC)C(=O)CCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360882481 152241089 /nfs/dbraw/zinc/24/10/89/152241089.db2.gz HNQBLSBLXZWVBS-UHFFFAOYSA-N 2 2 340.512 1.167 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1c(C)noc1C ZINC000360897425 152245672 /nfs/dbraw/zinc/24/56/72/152245672.db2.gz MOTKTMUUJFOREU-MRXNPFEDSA-N 2 2 336.480 1.927 20 0 EDADLP O=C(C[N@@H+]1CCc2sccc2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000370137560 155343023 /nfs/dbraw/zinc/34/30/23/155343023.db2.gz CRCXBXBOZSVFOZ-OAHLLOKOSA-N 2 2 349.500 1.287 20 0 EDADLP O=C(C[N@H+]1CCc2sccc2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000370137560 155343024 /nfs/dbraw/zinc/34/30/24/155343024.db2.gz CRCXBXBOZSVFOZ-OAHLLOKOSA-N 2 2 349.500 1.287 20 0 EDADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)Nc1ccncc1 ZINC000361060434 152292669 /nfs/dbraw/zinc/29/26/69/152292669.db2.gz VZYVDBHXJOZMHX-UHFFFAOYSA-N 2 2 327.432 1.831 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(CO)CC3(CCC3)C2)CC1 ZINC000361120857 152312260 /nfs/dbraw/zinc/31/22/60/152312260.db2.gz DOTFWYLWDXXSAM-UHFFFAOYSA-N 2 2 338.492 1.936 20 0 EDADLP CCc1cnccc1[C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000361133053 152316047 /nfs/dbraw/zinc/31/60/47/152316047.db2.gz UOWRQVHZDQIMRS-OAHLLOKOSA-N 2 2 348.491 1.522 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361145800 152319526 /nfs/dbraw/zinc/31/95/26/152319526.db2.gz OKRGFEGVOHEZBD-HNNXBMFYSA-N 2 2 326.437 1.432 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361145800 152319527 /nfs/dbraw/zinc/31/95/27/152319527.db2.gz OKRGFEGVOHEZBD-HNNXBMFYSA-N 2 2 326.437 1.432 20 0 EDADLP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361351278 152369033 /nfs/dbraw/zinc/36/90/33/152369033.db2.gz KWWMOKLQTGDKRM-HXUWFJFHSA-N 3 2 346.519 1.873 20 0 EDADLP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361351278 152369035 /nfs/dbraw/zinc/36/90/35/152369035.db2.gz KWWMOKLQTGDKRM-HXUWFJFHSA-N 3 2 346.519 1.873 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H](C)C[NH2+]C)[C@H]1CC12CC[NH2+]CC2 ZINC000370163779 155357880 /nfs/dbraw/zinc/35/78/80/155357880.db2.gz QHAODVUNYIHOBU-GJZGRUSLSA-N 3 2 333.480 1.229 20 0 EDADLP Cc1n[nH]cc1CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000363820173 153066333 /nfs/dbraw/zinc/06/63/33/153066333.db2.gz LBZAFQKYBARBSS-CYBMUJFWSA-N 2 2 334.468 1.028 20 0 EDADLP Cc1n[nH]cc1CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000363820173 153066336 /nfs/dbraw/zinc/06/63/36/153066336.db2.gz LBZAFQKYBARBSS-CYBMUJFWSA-N 2 2 334.468 1.028 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000364247904 153186538 /nfs/dbraw/zinc/18/65/38/153186538.db2.gz PQGBPUIDKAPFRL-MRXNPFEDSA-N 2 2 334.335 1.988 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364709438 153309835 /nfs/dbraw/zinc/30/98/35/153309835.db2.gz VTNHEWDIMVJROR-XYJFISCASA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000364709438 153309839 /nfs/dbraw/zinc/30/98/39/153309839.db2.gz VTNHEWDIMVJROR-XYJFISCASA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000364709438 153309841 /nfs/dbraw/zinc/30/98/41/153309841.db2.gz VTNHEWDIMVJROR-XYJFISCASA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000364709438 153309843 /nfs/dbraw/zinc/30/98/43/153309843.db2.gz VTNHEWDIMVJROR-XYJFISCASA-N 2 2 349.523 1.896 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000417263234 304388203 /nfs/dbraw/zinc/38/82/03/304388203.db2.gz KJCLSLOFWZBAFM-QGZVFWFLSA-N 2 2 331.395 1.715 20 0 EDADLP COC(=O)c1occc1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367111458 154011608 /nfs/dbraw/zinc/01/16/08/154011608.db2.gz XRLUJYUZTHROBR-HNNXBMFYSA-N 2 2 335.448 1.526 20 0 EDADLP COC(=O)c1occc1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367111458 154011611 /nfs/dbraw/zinc/01/16/11/154011611.db2.gz XRLUJYUZTHROBR-HNNXBMFYSA-N 2 2 335.448 1.526 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367139774 154019661 /nfs/dbraw/zinc/01/96/61/154019661.db2.gz LHAPZAXXROOOPZ-MRXNPFEDSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367139774 154019662 /nfs/dbraw/zinc/01/96/62/154019662.db2.gz LHAPZAXXROOOPZ-MRXNPFEDSA-N 2 2 339.480 1.206 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)CC1 ZINC000367273894 154063297 /nfs/dbraw/zinc/06/32/97/154063297.db2.gz IDEGTXAXOPRLCW-HNNXBMFYSA-N 2 2 347.463 1.638 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)CC1 ZINC000367273894 154063299 /nfs/dbraw/zinc/06/32/99/154063299.db2.gz IDEGTXAXOPRLCW-HNNXBMFYSA-N 2 2 347.463 1.638 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c(C)c[nH+]1 ZINC000367303279 154072739 /nfs/dbraw/zinc/07/27/39/154072739.db2.gz QOLAPDJDBIXETF-CVEARBPZSA-N 2 2 332.448 1.573 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c(C)c[nH+]1 ZINC000367303279 154072743 /nfs/dbraw/zinc/07/27/43/154072743.db2.gz QOLAPDJDBIXETF-CVEARBPZSA-N 2 2 332.448 1.573 20 0 EDADLP CC1CCC(OC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000367383882 154098117 /nfs/dbraw/zinc/09/81/17/154098117.db2.gz JEKDTHLDSHGQQZ-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP CCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCOCC1 ZINC000368066099 154393513 /nfs/dbraw/zinc/39/35/13/154393513.db2.gz XHSJIPHACCPYOP-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP CCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCOCC1 ZINC000368066099 154393516 /nfs/dbraw/zinc/39/35/16/154393516.db2.gz XHSJIPHACCPYOP-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369394687 155010743 /nfs/dbraw/zinc/01/07/43/155010743.db2.gz INBBDKQLJDJRAO-MRXNPFEDSA-N 2 2 342.447 1.751 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369394687 155010747 /nfs/dbraw/zinc/01/07/47/155010747.db2.gz INBBDKQLJDJRAO-MRXNPFEDSA-N 2 2 342.447 1.751 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000369533565 155075040 /nfs/dbraw/zinc/07/50/40/155075040.db2.gz TZEBCMJSUQZVFT-GOSISDBHSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000369533565 155075044 /nfs/dbraw/zinc/07/50/44/155075044.db2.gz TZEBCMJSUQZVFT-GOSISDBHSA-N 2 2 335.492 1.620 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000369635401 155117520 /nfs/dbraw/zinc/11/75/20/155117520.db2.gz BKLKVFUNQKYCCK-INIZCTEOSA-N 2 2 345.491 1.961 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000371823581 156125481 /nfs/dbraw/zinc/12/54/81/156125481.db2.gz RGPVDYNCLJEEPH-SJORKVTESA-N 2 2 347.507 1.633 20 0 EDADLP CN(C)c1ccnc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371972823 156190952 /nfs/dbraw/zinc/19/09/52/156190952.db2.gz HKVSWTPGCSYFGJ-KRWDZBQOSA-N 2 2 345.491 1.388 20 0 EDADLP CN(C)c1ccnc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371972823 156190957 /nfs/dbraw/zinc/19/09/57/156190957.db2.gz HKVSWTPGCSYFGJ-KRWDZBQOSA-N 2 2 345.491 1.388 20 0 EDADLP CCOc1cccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000372415864 156378734 /nfs/dbraw/zinc/37/87/34/156378734.db2.gz KRXHKYOQAFKCEI-FXAWDEMLSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c1 ZINC000372415864 156378737 /nfs/dbraw/zinc/37/87/37/156378737.db2.gz KRXHKYOQAFKCEI-FXAWDEMLSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1 ZINC000372415864 156378743 /nfs/dbraw/zinc/37/87/43/156378743.db2.gz KRXHKYOQAFKCEI-FXAWDEMLSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1 ZINC000372415864 156378747 /nfs/dbraw/zinc/37/87/47/156378747.db2.gz KRXHKYOQAFKCEI-FXAWDEMLSA-N 2 2 347.503 1.922 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCCCC[NH+]2CCCC2)CCN1C ZINC000372438199 156389298 /nfs/dbraw/zinc/38/92/98/156389298.db2.gz GAESTUIDOZIUBG-INIZCTEOSA-N 2 2 348.495 1.294 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C3CC[NH+](CC(F)F)CC3)CC[C@@H]21 ZINC000373917192 157063900 /nfs/dbraw/zinc/06/39/00/157063900.db2.gz VMXPSTUFWSWRQK-CABCVRRESA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C3CC[NH+](CC(F)F)CC3)CC[C@@H]21 ZINC000373917192 157063902 /nfs/dbraw/zinc/06/39/02/157063902.db2.gz VMXPSTUFWSWRQK-CABCVRRESA-N 2 2 329.435 1.906 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3nccs3)CC2)CC1 ZINC000373994159 157097920 /nfs/dbraw/zinc/09/79/20/157097920.db2.gz UTZDXFLQCPKSSI-AWEZNQCLSA-N 2 2 336.505 1.875 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374065661 157128472 /nfs/dbraw/zinc/12/84/72/157128472.db2.gz LWCFWJUOQFOIPD-IBGZPJMESA-N 2 2 344.459 1.430 20 0 EDADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374065661 157128475 /nfs/dbraw/zinc/12/84/75/157128475.db2.gz LWCFWJUOQFOIPD-IBGZPJMESA-N 2 2 344.459 1.430 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374065661 157128477 /nfs/dbraw/zinc/12/84/77/157128477.db2.gz LWCFWJUOQFOIPD-IBGZPJMESA-N 2 2 344.459 1.430 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374065661 157128479 /nfs/dbraw/zinc/12/84/79/157128479.db2.gz LWCFWJUOQFOIPD-IBGZPJMESA-N 2 2 344.459 1.430 20 0 EDADLP CCC[NH+]1CCC(N2CCN(CC[N@@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000374150404 157167032 /nfs/dbraw/zinc/16/70/32/157167032.db2.gz FMUXUDIAPLNSBK-GOSISDBHSA-N 2 2 338.540 1.199 20 0 EDADLP CCC[NH+]1CCC(N2CCN(CC[N@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000374150404 157167034 /nfs/dbraw/zinc/16/70/34/157167034.db2.gz FMUXUDIAPLNSBK-GOSISDBHSA-N 2 2 338.540 1.199 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374323885 157243779 /nfs/dbraw/zinc/24/37/79/157243779.db2.gz KGFFEQWMKQNTSJ-SJLPKXTDSA-N 2 2 348.491 1.196 20 0 EDADLP COCC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000374379200 157268268 /nfs/dbraw/zinc/26/82/68/157268268.db2.gz VQRJSXCLUOTMKJ-UHFFFAOYSA-N 2 2 325.497 1.189 20 0 EDADLP COCC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCC1 ZINC000374379200 157268269 /nfs/dbraw/zinc/26/82/69/157268269.db2.gz VQRJSXCLUOTMKJ-UHFFFAOYSA-N 2 2 325.497 1.189 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCc1ccccc1F ZINC000374424348 157286701 /nfs/dbraw/zinc/28/67/01/157286701.db2.gz ZLYIAASQHCOMAP-NJAFHUGGSA-N 2 2 349.450 1.625 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCc1ccccc1F ZINC000374424348 157286707 /nfs/dbraw/zinc/28/67/07/157286707.db2.gz ZLYIAASQHCOMAP-NJAFHUGGSA-N 2 2 349.450 1.625 20 0 EDADLP Cc1cc(N2CCC(N(C)C(=O)[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000374461760 157298987 /nfs/dbraw/zinc/29/89/87/157298987.db2.gz ZAVAOFVYXZHFCM-HNNXBMFYSA-N 2 2 345.491 1.945 20 0 EDADLP CCC(CC)(CCO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374655436 157356958 /nfs/dbraw/zinc/35/69/58/157356958.db2.gz NKLSCSKXUJXYSL-HNNXBMFYSA-N 2 2 340.512 1.395 20 0 EDADLP CCC(CC)(CCO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374655436 157356960 /nfs/dbraw/zinc/35/69/60/157356960.db2.gz NKLSCSKXUJXYSL-HNNXBMFYSA-N 2 2 340.512 1.395 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)S1 ZINC000377891806 158021325 /nfs/dbraw/zinc/02/13/25/158021325.db2.gz DFOICZCVQLJENG-OLZOCXBDSA-N 2 2 333.461 1.396 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C2 ZINC000377903342 158024813 /nfs/dbraw/zinc/02/48/13/158024813.db2.gz GOOLBBDMDFPASY-WMZOPIPTSA-N 2 2 347.507 1.142 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)C2 ZINC000377903342 158024815 /nfs/dbraw/zinc/02/48/15/158024815.db2.gz GOOLBBDMDFPASY-WMZOPIPTSA-N 2 2 347.507 1.142 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000378123828 158084999 /nfs/dbraw/zinc/08/49/99/158084999.db2.gz SGSHAGLLJWFKLU-DOTOQJQBSA-N 2 2 349.479 1.545 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000378123828 158085000 /nfs/dbraw/zinc/08/50/00/158085000.db2.gz SGSHAGLLJWFKLU-DOTOQJQBSA-N 2 2 349.479 1.545 20 0 EDADLP CC(=O)Oc1ccc(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000378141552 158090446 /nfs/dbraw/zinc/09/04/46/158090446.db2.gz KKPKKVYSVFFWCU-IBGZPJMESA-N 2 2 347.459 1.060 20 0 EDADLP CC(=O)Oc1ccc(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000378141552 158090449 /nfs/dbraw/zinc/09/04/49/158090449.db2.gz KKPKKVYSVFFWCU-IBGZPJMESA-N 2 2 347.459 1.060 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000378315287 158138019 /nfs/dbraw/zinc/13/80/19/158138019.db2.gz IJALEHPWCOQWOH-HOCLYGCPSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000378315287 158138021 /nfs/dbraw/zinc/13/80/21/158138021.db2.gz IJALEHPWCOQWOH-HOCLYGCPSA-N 2 2 335.448 1.524 20 0 EDADLP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000378405934 158165170 /nfs/dbraw/zinc/16/51/70/158165170.db2.gz SWUAPTGCENXKNO-FHLIZLRMSA-N 2 2 328.460 1.645 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C[C@H](C)O ZINC000352210879 162052175 /nfs/dbraw/zinc/05/21/75/162052175.db2.gz IGCCMSCIXOXVMB-DLBZAZTESA-N 2 2 333.476 1.595 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C[C@H](C)O ZINC000352210879 162052174 /nfs/dbraw/zinc/05/21/74/162052174.db2.gz IGCCMSCIXOXVMB-DLBZAZTESA-N 2 2 333.476 1.595 20 0 EDADLP CN(C)c1nc(N2CC[NH+](CCOc3ccccc3)CC2)cc[nH+]1 ZINC000352234675 162066213 /nfs/dbraw/zinc/06/62/13/162066213.db2.gz MSWWPBRKCUHVFH-UHFFFAOYSA-N 2 2 327.432 1.744 20 0 EDADLP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1C ZINC000352488298 162208319 /nfs/dbraw/zinc/20/83/19/162208319.db2.gz OMOWWIMQYWKYGG-HKUYNNGSSA-N 2 2 344.503 1.460 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352495220 162211012 /nfs/dbraw/zinc/21/10/12/162211012.db2.gz JQTMOZCOOPZMFC-GDBMZVCRSA-N 2 2 332.448 1.002 20 0 EDADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352505285 162217772 /nfs/dbraw/zinc/21/77/72/162217772.db2.gz ZOVZVNFXGRJQLY-ZHALLVOQSA-N 2 2 344.503 1.274 20 0 EDADLP Cc1ncc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000352536121 162237592 /nfs/dbraw/zinc/23/75/92/162237592.db2.gz ZSSBXOWEFHCFFU-GOSISDBHSA-N 2 2 325.460 1.660 20 0 EDADLP Cc1[nH+]cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)n1-c1ccccc1 ZINC000352536121 162237594 /nfs/dbraw/zinc/23/75/94/162237594.db2.gz ZSSBXOWEFHCFFU-GOSISDBHSA-N 2 2 325.460 1.660 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CCC(OCCC[NH3+])CC3)cn21 ZINC000417998917 304444204 /nfs/dbraw/zinc/44/42/04/304444204.db2.gz VSLDHNBPMQFQTN-UHFFFAOYSA-N 2 2 345.447 1.682 20 0 EDADLP C[C@@H](c1nnnn1C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000189519384 287162988 /nfs/dbraw/zinc/16/29/88/287162988.db2.gz LQPABGMLXLBCSX-ZNMIVQPWSA-N 2 2 336.484 1.482 20 0 EDADLP C[C@@H](c1nnnn1C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000189519384 287162993 /nfs/dbraw/zinc/16/29/93/287162993.db2.gz LQPABGMLXLBCSX-ZNMIVQPWSA-N 2 2 336.484 1.482 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000065222974 287240457 /nfs/dbraw/zinc/24/04/57/287240457.db2.gz MVDVXUUDYBPQLA-UHFFFAOYSA-N 2 2 339.867 1.815 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000072938451 287257641 /nfs/dbraw/zinc/25/76/41/287257641.db2.gz BWNRPFDOPUIHDF-UHFFFAOYSA-N 2 2 345.443 1.198 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000074134188 287268239 /nfs/dbraw/zinc/26/82/39/287268239.db2.gz HPHSFADKFYZGBF-IRXDYDNUSA-N 2 2 339.528 1.138 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000074134188 287268241 /nfs/dbraw/zinc/26/82/41/287268241.db2.gz HPHSFADKFYZGBF-IRXDYDNUSA-N 2 2 339.528 1.138 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000077711966 287289953 /nfs/dbraw/zinc/28/99/53/287289953.db2.gz UAQWZLNAHOLDON-OAHLLOKOSA-N 2 2 334.464 1.268 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000079876658 287303698 /nfs/dbraw/zinc/30/36/98/287303698.db2.gz PYMYTUQRUVAPOD-UHFFFAOYSA-N 2 2 345.422 1.986 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119774791 287356207 /nfs/dbraw/zinc/35/62/07/287356207.db2.gz RQGYZKYZVFFEMW-OAHLLOKOSA-N 2 2 327.432 1.431 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000418379718 304488594 /nfs/dbraw/zinc/48/85/94/304488594.db2.gz GTDVWCULYSYDCJ-CQSZACIVSA-N 2 2 348.495 1.596 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123688327 222317532 /nfs/dbraw/zinc/31/75/32/222317532.db2.gz TXYZAAPPTBTQKZ-GUYCJALGSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123688327 222317535 /nfs/dbraw/zinc/31/75/35/222317535.db2.gz TXYZAAPPTBTQKZ-GUYCJALGSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123688327 222317537 /nfs/dbraw/zinc/31/75/37/222317537.db2.gz TXYZAAPPTBTQKZ-GUYCJALGSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123688327 222317540 /nfs/dbraw/zinc/31/75/40/222317540.db2.gz TXYZAAPPTBTQKZ-GUYCJALGSA-N 2 2 332.448 1.998 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000418483798 304501321 /nfs/dbraw/zinc/50/13/21/304501321.db2.gz FYIUSQZSNBXIAH-MRXNPFEDSA-N 2 2 346.475 1.138 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCc1cnccn1)c1ccccc1 ZINC000274574800 268162077 /nfs/dbraw/zinc/16/20/77/268162077.db2.gz GHOVUTUJYYUUIK-GOSISDBHSA-N 2 2 341.459 1.370 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCc1cnccn1)c1ccccc1 ZINC000274574800 268162080 /nfs/dbraw/zinc/16/20/80/268162080.db2.gz GHOVUTUJYYUUIK-GOSISDBHSA-N 2 2 341.459 1.370 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972287 268254211 /nfs/dbraw/zinc/25/42/11/268254211.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 3 2 330.520 1.732 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972287 268254214 /nfs/dbraw/zinc/25/42/14/268254214.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 3 2 330.520 1.732 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972287 268254216 /nfs/dbraw/zinc/25/42/16/268254216.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 3 2 330.520 1.732 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972287 268254218 /nfs/dbraw/zinc/25/42/18/268254218.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 3 2 330.520 1.732 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)nc(C2CC2)[nH+]1 ZINC000275894760 268382690 /nfs/dbraw/zinc/38/26/90/268382690.db2.gz ZVYYHDIRTQGDLG-CQSZACIVSA-N 2 2 339.447 1.745 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)nc(C2CC2)[nH+]1 ZINC000275894760 268382691 /nfs/dbraw/zinc/38/26/91/268382691.db2.gz ZVYYHDIRTQGDLG-CQSZACIVSA-N 2 2 339.447 1.745 20 0 EDADLP COc1cccc2c1CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C2 ZINC000277177758 268523728 /nfs/dbraw/zinc/52/37/28/268523728.db2.gz HQBMPPULUDYKNL-RDJZCZTQSA-N 2 2 331.460 1.482 20 0 EDADLP COc1cccc2c1CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C2 ZINC000277177758 268523730 /nfs/dbraw/zinc/52/37/30/268523730.db2.gz HQBMPPULUDYKNL-RDJZCZTQSA-N 2 2 331.460 1.482 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000274250909 273079977 /nfs/dbraw/zinc/07/99/77/273079977.db2.gz STLQWQCBAZKIOG-GOSISDBHSA-N 2 2 345.491 1.944 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276248914 273154966 /nfs/dbraw/zinc/15/49/66/273154966.db2.gz MZIWOIAWLUKUIQ-LJQANCHMSA-N 2 2 347.503 1.908 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276248914 273154969 /nfs/dbraw/zinc/15/49/69/273154969.db2.gz MZIWOIAWLUKUIQ-LJQANCHMSA-N 2 2 347.503 1.908 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000277811163 273227702 /nfs/dbraw/zinc/22/77/02/273227702.db2.gz OFBMZJMCWKJVFF-KRWDZBQOSA-N 2 2 343.475 1.930 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000277811163 273227704 /nfs/dbraw/zinc/22/77/04/273227704.db2.gz OFBMZJMCWKJVFF-KRWDZBQOSA-N 2 2 343.475 1.930 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000278169606 273251522 /nfs/dbraw/zinc/25/15/22/273251522.db2.gz PZISMPDRODSXBV-UHFFFAOYSA-N 2 2 329.404 1.840 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000278485846 273264019 /nfs/dbraw/zinc/26/40/19/273264019.db2.gz KUBSPRUSTMIFNH-UHFFFAOYSA-N 2 2 344.459 1.409 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)c2)CC1 ZINC000278512281 273264963 /nfs/dbraw/zinc/26/49/63/273264963.db2.gz WWMQVDYVNGOFBL-LJQANCHMSA-N 2 2 342.487 1.999 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)c2)CC1 ZINC000278512281 273264964 /nfs/dbraw/zinc/26/49/64/273264964.db2.gz WWMQVDYVNGOFBL-LJQANCHMSA-N 2 2 342.487 1.999 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)c2)CC1 ZINC000278512281 273264965 /nfs/dbraw/zinc/26/49/65/273264965.db2.gz WWMQVDYVNGOFBL-LJQANCHMSA-N 2 2 342.487 1.999 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)c2)CC1 ZINC000278512281 273264966 /nfs/dbraw/zinc/26/49/66/273264966.db2.gz WWMQVDYVNGOFBL-LJQANCHMSA-N 2 2 342.487 1.999 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)nc2)CC1 ZINC000279620606 273313155 /nfs/dbraw/zinc/31/31/55/273313155.db2.gz YFPVDSGNBOLHPV-MRXNPFEDSA-N 2 2 329.448 1.399 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)nc2)CC1 ZINC000279620606 273313156 /nfs/dbraw/zinc/31/31/56/273313156.db2.gz YFPVDSGNBOLHPV-MRXNPFEDSA-N 2 2 329.448 1.399 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000280783793 273397967 /nfs/dbraw/zinc/39/79/67/273397967.db2.gz SNNMHSAVXJHEKU-KRWDZBQOSA-N 2 2 343.431 1.162 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280785257 273398040 /nfs/dbraw/zinc/39/80/40/273398040.db2.gz IUILAAQQELUMLG-HBFSDRIKSA-N 2 2 343.471 1.566 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000283637785 273911672 /nfs/dbraw/zinc/91/16/72/273911672.db2.gz XCADVPTUGVVPFJ-HNNXBMFYSA-N 2 2 347.463 1.108 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1)c1ccccc1 ZINC000284430779 274199374 /nfs/dbraw/zinc/19/93/74/274199374.db2.gz JGHQTIJFQDSUAL-SQNIBIBYSA-N 2 2 331.460 1.611 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1)c1ccccc1 ZINC000284430779 274199375 /nfs/dbraw/zinc/19/93/75/274199375.db2.gz JGHQTIJFQDSUAL-SQNIBIBYSA-N 2 2 331.460 1.611 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000284430779 274199377 /nfs/dbraw/zinc/19/93/77/274199377.db2.gz JGHQTIJFQDSUAL-SQNIBIBYSA-N 2 2 331.460 1.611 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000284430779 274199379 /nfs/dbraw/zinc/19/93/79/274199379.db2.gz JGHQTIJFQDSUAL-SQNIBIBYSA-N 2 2 331.460 1.611 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000284930430 274391276 /nfs/dbraw/zinc/39/12/76/274391276.db2.gz CCYKQULHFYPFDT-WMZOPIPTSA-N 2 2 328.416 1.461 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000284930430 274391278 /nfs/dbraw/zinc/39/12/78/274391278.db2.gz CCYKQULHFYPFDT-WMZOPIPTSA-N 2 2 328.416 1.461 20 0 EDADLP CCOC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000285978406 287906128 /nfs/dbraw/zinc/90/61/28/287906128.db2.gz FEXVYBISQFOISV-IBGZPJMESA-N 2 2 347.503 1.982 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000370185060 277027660 /nfs/dbraw/zinc/02/76/60/277027660.db2.gz ORCWZVFPLGHYHN-IXDOHACOSA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@@H]4CCCC[C@@H]4C3)C2)CC1 ZINC000370185060 277027662 /nfs/dbraw/zinc/02/76/62/277027662.db2.gz ORCWZVFPLGHYHN-IXDOHACOSA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(-c4ccco4)n[nH]3)C2)CC1 ZINC000364210374 277028890 /nfs/dbraw/zinc/02/88/90/277028890.db2.gz ZWMWVVHWLVFHNM-ZDUSSCGKSA-N 2 2 343.431 1.568 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(-c4ccco4)n[nH]3)C2)CC1 ZINC000364210374 277028892 /nfs/dbraw/zinc/02/88/92/277028892.db2.gz ZWMWVVHWLVFHNM-ZDUSSCGKSA-N 2 2 343.431 1.568 20 0 EDADLP C[N@@H+]1CCc2ncnc(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)c2C1 ZINC000378155921 277190840 /nfs/dbraw/zinc/19/08/40/277190840.db2.gz UKDXCJNJFPDHMX-IRXDYDNUSA-N 2 2 331.464 1.520 20 0 EDADLP C[N@H+]1CCc2ncnc(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)c2C1 ZINC000378155921 277190841 /nfs/dbraw/zinc/19/08/41/277190841.db2.gz UKDXCJNJFPDHMX-IRXDYDNUSA-N 2 2 331.464 1.520 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000266509968 277204904 /nfs/dbraw/zinc/20/49/04/277204904.db2.gz LYBLNUCZKFEYMU-UHFFFAOYSA-N 2 2 333.436 1.410 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000266509968 277204905 /nfs/dbraw/zinc/20/49/05/277204905.db2.gz LYBLNUCZKFEYMU-UHFFFAOYSA-N 2 2 333.436 1.410 20 0 EDADLP COCC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000374380436 277223970 /nfs/dbraw/zinc/22/39/70/277223970.db2.gz LEMDUIXLXCXMGK-QGZVFWFLSA-N 2 2 332.448 1.147 20 0 EDADLP COCC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000374380436 277223971 /nfs/dbraw/zinc/22/39/71/277223971.db2.gz LEMDUIXLXCXMGK-QGZVFWFLSA-N 2 2 332.448 1.147 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247216592 277323156 /nfs/dbraw/zinc/32/31/56/277323156.db2.gz XHNDTCPDJBLDFX-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247216592 277323157 /nfs/dbraw/zinc/32/31/57/277323157.db2.gz XHNDTCPDJBLDFX-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]([NH+]4CC=CC4)C3)nc(N)c2cc1OC ZINC000266233118 277858283 /nfs/dbraw/zinc/85/82/83/277858283.db2.gz JYPAKSCPCUVHJY-LBPRGKRZSA-N 2 2 341.415 1.680 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352227 278214635 /nfs/dbraw/zinc/21/46/35/278214635.db2.gz ZFEMMVOQCMZAQM-JSGCOSHPSA-N 2 2 338.402 1.271 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352227 278214637 /nfs/dbraw/zinc/21/46/37/278214637.db2.gz ZFEMMVOQCMZAQM-JSGCOSHPSA-N 2 2 338.402 1.271 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286662040 288056792 /nfs/dbraw/zinc/05/67/92/288056792.db2.gz FZCAWWWZILSJDD-FUHWJXTLSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286662040 288056794 /nfs/dbraw/zinc/05/67/94/288056794.db2.gz FZCAWWWZILSJDD-FUHWJXTLSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000286662040 288056796 /nfs/dbraw/zinc/05/67/96/288056796.db2.gz FZCAWWWZILSJDD-FUHWJXTLSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000286662040 288056797 /nfs/dbraw/zinc/05/67/97/288056797.db2.gz FZCAWWWZILSJDD-FUHWJXTLSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)c[nH+]1 ZINC000354535817 278801185 /nfs/dbraw/zinc/80/11/85/278801185.db2.gz COYRUFVJRPWYRC-JKSUJKDBSA-N 2 2 325.478 1.630 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC000338220294 279136892 /nfs/dbraw/zinc/13/68/92/279136892.db2.gz JBEXCWGIPLXJQZ-MSOLQXFVSA-N 2 2 331.460 1.683 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc1 ZINC000338220294 279136895 /nfs/dbraw/zinc/13/68/95/279136895.db2.gz JBEXCWGIPLXJQZ-MSOLQXFVSA-N 2 2 331.460 1.683 20 0 EDADLP CCc1nc(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)cc(C)[nH+]1 ZINC000286838753 288101281 /nfs/dbraw/zinc/10/12/81/288101281.db2.gz ZXOICMNWRRPXIF-CYBMUJFWSA-N 2 2 327.436 1.430 20 0 EDADLP CCc1nc(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)cc(C)[nH+]1 ZINC000286838753 288101282 /nfs/dbraw/zinc/10/12/82/288101282.db2.gz ZXOICMNWRRPXIF-CYBMUJFWSA-N 2 2 327.436 1.430 20 0 EDADLP C[C@@]1(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261950891 279159271 /nfs/dbraw/zinc/15/92/71/279159271.db2.gz FYHBPTNBDRLZOH-GOSISDBHSA-N 2 2 335.423 1.348 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000130884282 279197873 /nfs/dbraw/zinc/19/78/73/279197873.db2.gz TZWNEAWNVOLVDU-NVXWUHKLSA-N 2 2 333.501 1.939 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000130884282 279197876 /nfs/dbraw/zinc/19/78/76/279197876.db2.gz TZWNEAWNVOLVDU-NVXWUHKLSA-N 2 2 333.501 1.939 20 0 EDADLP Cc1noc(C)c1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830062 279247761 /nfs/dbraw/zinc/24/77/61/279247761.db2.gz KVBZMZRLECWTQR-INIZCTEOSA-N 2 2 334.464 1.461 20 0 EDADLP Cc1noc(C)c1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830062 279247763 /nfs/dbraw/zinc/24/77/63/279247763.db2.gz KVBZMZRLECWTQR-INIZCTEOSA-N 2 2 334.464 1.461 20 0 EDADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000262178666 288154123 /nfs/dbraw/zinc/15/41/23/288154123.db2.gz BHWNTCIOTCOMIU-JKSUJKDBSA-N 2 2 341.402 1.534 20 0 EDADLP CC[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000360836068 280143521 /nfs/dbraw/zinc/14/35/21/280143521.db2.gz UVJMWZMXKFTCHU-HOTGVXAUSA-N 2 2 337.414 1.937 20 0 EDADLP CC[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000360836068 280143524 /nfs/dbraw/zinc/14/35/24/280143524.db2.gz UVJMWZMXKFTCHU-HOTGVXAUSA-N 2 2 337.414 1.937 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287332423 288212230 /nfs/dbraw/zinc/21/22/30/288212230.db2.gz ICTVVJZCBDSUGR-UAGQMJEPSA-N 2 2 334.464 1.308 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287332423 288212232 /nfs/dbraw/zinc/21/22/32/288212232.db2.gz ICTVVJZCBDSUGR-UAGQMJEPSA-N 2 2 334.464 1.308 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295124 280241069 /nfs/dbraw/zinc/24/10/69/280241069.db2.gz OXCMMQOYMJAHNK-BRSBDYLESA-N 2 2 337.508 1.961 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295124 280241070 /nfs/dbraw/zinc/24/10/70/280241070.db2.gz OXCMMQOYMJAHNK-BRSBDYLESA-N 2 2 337.508 1.961 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000345997653 280369162 /nfs/dbraw/zinc/36/91/62/280369162.db2.gz WAJFCFDVVWBGSP-QRQLOZEOSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000345997653 280369163 /nfs/dbraw/zinc/36/91/63/280369163.db2.gz WAJFCFDVVWBGSP-QRQLOZEOSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1C[C@@H](C)O ZINC000345997653 280369165 /nfs/dbraw/zinc/36/91/65/280369165.db2.gz WAJFCFDVVWBGSP-QRQLOZEOSA-N 2 2 345.487 1.565 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1C[C@@H](C)O ZINC000345997653 280369167 /nfs/dbraw/zinc/36/91/67/280369167.db2.gz WAJFCFDVVWBGSP-QRQLOZEOSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCO1 ZINC000459561220 288266376 /nfs/dbraw/zinc/26/63/76/288266376.db2.gz DKXUGCXWZKKOGQ-MJGOQNOKSA-N 2 2 347.503 1.848 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCO1 ZINC000459561220 288266378 /nfs/dbraw/zinc/26/63/78/288266378.db2.gz DKXUGCXWZKKOGQ-MJGOQNOKSA-N 2 2 347.503 1.848 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000289175543 288644616 /nfs/dbraw/zinc/64/46/16/288644616.db2.gz XYSBFVYFAAXUDR-SWLSCSKDSA-N 2 2 333.411 1.898 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000289851320 288790886 /nfs/dbraw/zinc/79/08/86/288790886.db2.gz CGQCDZKVEXFVFG-IUODEOHRSA-N 2 2 325.840 1.519 20 0 EDADLP C[NH+]1CCN([C@@H](C(=O)N2CCn3c[nH+]cc3C2)c2ccccc2)CC1 ZINC000290925511 288975428 /nfs/dbraw/zinc/97/54/28/288975428.db2.gz LITTZTCVWPWIIJ-GOSISDBHSA-N 2 2 339.443 1.214 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCn2c[nH+]cc2C1 ZINC000291250265 289025639 /nfs/dbraw/zinc/02/56/39/289025639.db2.gz LXDPDRRZILEDSG-UHFFFAOYSA-N 2 2 331.445 1.528 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)N1CCn2c[nH+]cc2C1 ZINC000291250265 289025641 /nfs/dbraw/zinc/02/56/41/289025641.db2.gz LXDPDRRZILEDSG-UHFFFAOYSA-N 2 2 331.445 1.528 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H]2c2ccncc2)CC1 ZINC000153630953 289068200 /nfs/dbraw/zinc/06/82/00/289068200.db2.gz LAPGYWFCFSTZNY-GOSISDBHSA-N 2 2 345.491 1.954 20 0 EDADLP C[NH+](C)CCN(Cc1[nH+]ccn1CC(F)(F)F)C[C@@H]1CCCO1 ZINC000349059976 289151894 /nfs/dbraw/zinc/15/18/94/289151894.db2.gz DAEQZVPBXRPQSV-ZDUSSCGKSA-N 2 2 334.386 1.988 20 0 EDADLP CCc1nc(C)c(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000291755857 289172004 /nfs/dbraw/zinc/17/20/04/289172004.db2.gz MDTAALWJEUTOLW-UHFFFAOYSA-N 2 2 330.436 1.377 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)CC[C@@H]3CCC[NH2+]3)CCCC2)no1 ZINC000494668806 289226768 /nfs/dbraw/zinc/22/67/68/289226768.db2.gz NBRHNGJNJGRJGY-ZDUSSCGKSA-N 2 2 335.452 1.549 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3CCO[C@@H]3C)CC2)cc1 ZINC000292151196 289274398 /nfs/dbraw/zinc/27/43/98/289274398.db2.gz JZYSXLSRCSICTJ-CRAIPNDOSA-N 2 2 347.459 1.106 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000105118577 289292156 /nfs/dbraw/zinc/29/21/56/289292156.db2.gz YKZRHSREYAPBLP-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CO[C@H](C)[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360685127 294304999 /nfs/dbraw/zinc/30/49/99/294304999.db2.gz WDKJXCGNLUGPPM-RRFJBIMHSA-N 2 2 326.485 1.220 20 0 EDADLP CO[C@H](C)[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360685127 294305003 /nfs/dbraw/zinc/30/50/03/294305003.db2.gz WDKJXCGNLUGPPM-RRFJBIMHSA-N 2 2 326.485 1.220 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CCN1C ZINC000333342753 294433132 /nfs/dbraw/zinc/43/31/32/294433132.db2.gz YNFJUVROFDVGCK-JKSUJKDBSA-N 2 2 333.480 1.533 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000123036409 295132896 /nfs/dbraw/zinc/13/28/96/295132896.db2.gz TVIVWRMOUDDSEK-GOEBONIOSA-N 2 2 349.475 1.735 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000123036409 295132899 /nfs/dbraw/zinc/13/28/99/295132899.db2.gz TVIVWRMOUDDSEK-GOEBONIOSA-N 2 2 349.475 1.735 20 0 EDADLP COc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000123036409 295132902 /nfs/dbraw/zinc/13/29/02/295132902.db2.gz TVIVWRMOUDDSEK-GOEBONIOSA-N 2 2 349.475 1.735 20 0 EDADLP COc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000123036409 295132905 /nfs/dbraw/zinc/13/29/05/295132905.db2.gz TVIVWRMOUDDSEK-GOEBONIOSA-N 2 2 349.475 1.735 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000497712323 300222207 /nfs/dbraw/zinc/22/22/07/300222207.db2.gz FXDYKSGOTADDPO-WLLUSJSYSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C ZINC000497712323 300222213 /nfs/dbraw/zinc/22/22/13/300222213.db2.gz FXDYKSGOTADDPO-WLLUSJSYSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000419804105 304686694 /nfs/dbraw/zinc/68/66/94/304686694.db2.gz NWIWFMFAAHCUGS-HUUCEWRRSA-N 2 2 347.463 1.070 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](CCF)C2)CC1 ZINC000664539324 453180572 /nfs/dbraw/zinc/18/05/72/453180572.db2.gz MTIXUHXCUALKBD-OAHLLOKOSA-N 2 2 328.476 1.794 20 0 EDADLP COc1cc(C)cnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372847166 447313598 /nfs/dbraw/zinc/31/35/98/447313598.db2.gz PJCUVUUYKQUIPM-CQSZACIVSA-N 2 2 332.448 1.297 20 0 EDADLP COc1cc(C)cnc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372847166 447313605 /nfs/dbraw/zinc/31/36/05/447313605.db2.gz PJCUVUUYKQUIPM-CQSZACIVSA-N 2 2 332.448 1.297 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c[nH+]c1N1CCCC[C@H]1C ZINC000415465089 301353736 /nfs/dbraw/zinc/35/37/36/301353736.db2.gz RSCNLSUJZUAWCL-YCPHGPKFSA-N 2 2 347.463 1.471 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420373230 304752841 /nfs/dbraw/zinc/75/28/41/304752841.db2.gz QXHUYNMGBPXYTQ-XJIUQZFPSA-N 2 2 347.459 1.454 20 0 EDADLP C[C@@H]([NH3+])CN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000420376382 304753491 /nfs/dbraw/zinc/75/34/91/304753491.db2.gz QTCCNJFRRVEOJC-AEFFLSMTSA-N 2 2 330.476 1.142 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CCN1C ZINC000333790910 302994649 /nfs/dbraw/zinc/99/46/49/302994649.db2.gz GFMFDHLDNOEOHK-AWEZNQCLSA-N 2 2 334.468 1.080 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)C1 ZINC000294357747 303096494 /nfs/dbraw/zinc/09/64/94/303096494.db2.gz YTMPCZCVZUQPGS-SFHVURJKSA-N 2 2 325.416 1.825 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(C)(C)CO ZINC000295190808 303186125 /nfs/dbraw/zinc/18/61/25/303186125.db2.gz JJCCQAOPUZLIFA-UHFFFAOYSA-N 2 2 334.464 1.071 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(C)(C)CO ZINC000295190808 303186128 /nfs/dbraw/zinc/18/61/28/303186128.db2.gz JJCCQAOPUZLIFA-UHFFFAOYSA-N 2 2 334.464 1.071 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000295318129 303204128 /nfs/dbraw/zinc/20/41/28/303204128.db2.gz YTZQLJRJNTXBME-QGZVFWFLSA-N 2 2 343.431 1.162 20 0 EDADLP CCNC(=O)CC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295693556 303253378 /nfs/dbraw/zinc/25/33/78/303253378.db2.gz DOEHYLXNISGOTB-OAHLLOKOSA-N 2 2 332.448 1.661 20 0 EDADLP CCNC(=O)CC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295693556 303253380 /nfs/dbraw/zinc/25/33/80/303253380.db2.gz DOEHYLXNISGOTB-OAHLLOKOSA-N 2 2 332.448 1.661 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+](C2CC2)C1 ZINC000297145732 303365284 /nfs/dbraw/zinc/36/52/84/303365284.db2.gz CUUURLYVXCZSLE-HZPDHXFCSA-N 2 2 343.475 1.786 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+](C2CC2)C1 ZINC000297145732 303365285 /nfs/dbraw/zinc/36/52/85/303365285.db2.gz CUUURLYVXCZSLE-HZPDHXFCSA-N 2 2 343.475 1.786 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCn3cc[nH+]c3)cc2)CC1 ZINC000299623669 303638925 /nfs/dbraw/zinc/63/89/25/303638925.db2.gz FKCYMVBNNAOKCY-UHFFFAOYSA-N 2 2 341.415 1.300 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000299744469 303657166 /nfs/dbraw/zinc/65/71/66/303657166.db2.gz SLTSLXLYBTYFSG-WMLDXEAASA-N 2 2 338.415 1.868 20 0 EDADLP CCCN(C(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000648995867 453462924 /nfs/dbraw/zinc/46/29/24/453462924.db2.gz HTVHPYBIAZYNAT-IKGGRYGDSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(C(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000648995867 453462931 /nfs/dbraw/zinc/46/29/31/453462931.db2.gz HTVHPYBIAZYNAT-IKGGRYGDSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1)[C@@H]1CC[NH+](C)C1 ZINC000648995867 453462939 /nfs/dbraw/zinc/46/29/39/453462939.db2.gz HTVHPYBIAZYNAT-IKGGRYGDSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1)[C@@H]1CC[NH+](C)C1 ZINC000648995867 453462948 /nfs/dbraw/zinc/46/29/48/453462948.db2.gz HTVHPYBIAZYNAT-IKGGRYGDSA-N 2 2 325.497 1.819 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)CC1 ZINC000411886772 303927417 /nfs/dbraw/zinc/92/74/17/303927417.db2.gz BCBCDKFGHKFMNM-QGTPRVQTSA-N 2 2 331.460 1.441 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422722964 304879408 /nfs/dbraw/zinc/87/94/08/304879408.db2.gz ZFFCCXRHWGVAHD-WMZOPIPTSA-N 3 2 335.492 1.874 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCn3cc[nH+]c32)CC[NH2+]CC1 ZINC000422970215 304881763 /nfs/dbraw/zinc/88/17/63/304881763.db2.gz VWFAJNRSFIUPFK-CABCVRRESA-N 3 2 334.464 1.672 20 0 EDADLP COc1ccc([C@@H]([NH2+]CC2(CO)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422995372 304882416 /nfs/dbraw/zinc/88/24/16/304882416.db2.gz JYZUGEZRAPEOIH-QZTJIDSGSA-N 2 2 334.460 1.867 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000423328366 304892537 /nfs/dbraw/zinc/89/25/37/304892537.db2.gz DNADFKGITLSEOJ-NXHRZFHOSA-N 2 2 331.460 1.564 20 0 EDADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423491918 304897347 /nfs/dbraw/zinc/89/73/47/304897347.db2.gz KTQJTZJIBRZADN-WOJBJXKFSA-N 2 2 347.503 1.590 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000423814002 304909717 /nfs/dbraw/zinc/90/97/17/304909717.db2.gz GBJYGGZRXOQNRO-TZMCWYRMSA-N 2 2 339.461 1.234 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000423824426 304910448 /nfs/dbraw/zinc/91/04/48/304910448.db2.gz VSDOLWGAFFNLNU-CJNGLKHVSA-N 2 2 337.489 1.707 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000423927171 304917936 /nfs/dbraw/zinc/91/79/36/304917936.db2.gz IJZRPQPGHZPBKQ-AWEZNQCLSA-N 2 2 332.448 1.646 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)C[C@H]3COCC[NH2+]3)ccc2n1C1CC1 ZINC000423930133 304918674 /nfs/dbraw/zinc/91/86/74/304918674.db2.gz JWLPUCMGMPOXBC-AWEZNQCLSA-N 2 2 342.443 1.928 20 0 EDADLP COC(=O)C1CCC([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000426060903 304978611 /nfs/dbraw/zinc/97/86/11/304978611.db2.gz SMIYWHVAHOGYHP-YMAMQOFZSA-N 2 2 348.447 1.233 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428030998 305004409 /nfs/dbraw/zinc/00/44/09/305004409.db2.gz JUKDIPBVRAFGRC-HKUYNNGSSA-N 2 2 345.487 1.824 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428030998 305004410 /nfs/dbraw/zinc/00/44/10/305004410.db2.gz JUKDIPBVRAFGRC-HKUYNNGSSA-N 2 2 345.487 1.824 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000428037862 305004896 /nfs/dbraw/zinc/00/48/96/305004896.db2.gz LJEHOUWIGMGLLC-PBHICJAKSA-N 2 2 338.455 1.736 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000428037862 305004897 /nfs/dbraw/zinc/00/48/97/305004897.db2.gz LJEHOUWIGMGLLC-PBHICJAKSA-N 2 2 338.455 1.736 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000428037172 305004954 /nfs/dbraw/zinc/00/49/54/305004954.db2.gz JDTHTSFFAIOEBA-HUUCEWRRSA-N 2 2 333.432 1.004 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000428037172 305004955 /nfs/dbraw/zinc/00/49/55/305004955.db2.gz JDTHTSFFAIOEBA-HUUCEWRRSA-N 2 2 333.432 1.004 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000428041689 305005152 /nfs/dbraw/zinc/00/51/52/305005152.db2.gz RNAXERIOIWUTTJ-WBVHZDCISA-N 2 2 346.450 1.158 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000428041689 305005153 /nfs/dbraw/zinc/00/51/53/305005153.db2.gz RNAXERIOIWUTTJ-WBVHZDCISA-N 2 2 346.450 1.158 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000430568522 305056154 /nfs/dbraw/zinc/05/61/54/305056154.db2.gz CUJALLMOLODANS-UKRRQHHQSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000430568522 305056155 /nfs/dbraw/zinc/05/61/55/305056155.db2.gz CUJALLMOLODANS-UKRRQHHQSA-N 2 2 332.448 1.386 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430571440 305056321 /nfs/dbraw/zinc/05/63/21/305056321.db2.gz MJGLHZDQQNJFMS-SFHVURJKSA-N 2 2 348.466 1.548 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430571440 305056322 /nfs/dbraw/zinc/05/63/22/305056322.db2.gz MJGLHZDQQNJFMS-SFHVURJKSA-N 2 2 348.466 1.548 20 0 EDADLP C[N@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)CC(C)(C)C[NH3+] ZINC000430587491 305057304 /nfs/dbraw/zinc/05/73/04/305057304.db2.gz ZRQTXCGEHZKNOZ-UHFFFAOYSA-N 2 2 332.448 1.667 20 0 EDADLP C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)CC(C)(C)C[NH3+] ZINC000430587491 305057305 /nfs/dbraw/zinc/05/73/05/305057305.db2.gz ZRQTXCGEHZKNOZ-UHFFFAOYSA-N 2 2 332.448 1.667 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCCc1nc2ccccc2s1)C1CC1 ZINC000430599547 305058049 /nfs/dbraw/zinc/05/80/49/305058049.db2.gz WBBNAOYAXZCFLV-QGZVFWFLSA-N 2 2 332.473 1.672 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC([NH3+])CC2)c1 ZINC000430602815 305058188 /nfs/dbraw/zinc/05/81/88/305058188.db2.gz LVUBZWXQSKVTKC-QWHCGFSZSA-N 2 2 335.448 1.693 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC([NH3+])CC2)c1 ZINC000430602814 305058201 /nfs/dbraw/zinc/05/82/01/305058201.db2.gz LVUBZWXQSKVTKC-OLZOCXBDSA-N 2 2 335.448 1.693 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000430605302 305058316 /nfs/dbraw/zinc/05/83/16/305058316.db2.gz QLAWVXRPUQCETM-INIZCTEOSA-N 2 2 341.459 1.202 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000430605302 305058317 /nfs/dbraw/zinc/05/83/17/305058317.db2.gz QLAWVXRPUQCETM-INIZCTEOSA-N 2 2 341.459 1.202 20 0 EDADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430686412 305062413 /nfs/dbraw/zinc/06/24/13/305062413.db2.gz VJZREMVFOWVUMF-ZDUSSCGKSA-N 2 2 337.851 1.534 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000430849516 305065983 /nfs/dbraw/zinc/06/59/83/305065983.db2.gz GUVDSNSUMYFHBE-YOEHRIQHSA-N 2 2 335.448 1.168 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000430849516 305065984 /nfs/dbraw/zinc/06/59/84/305065984.db2.gz GUVDSNSUMYFHBE-YOEHRIQHSA-N 2 2 335.448 1.168 20 0 EDADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000430914789 305067826 /nfs/dbraw/zinc/06/78/26/305067826.db2.gz AEBPMFVTOAUEIC-AWEZNQCLSA-N 2 2 349.475 1.735 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430938167 305069402 /nfs/dbraw/zinc/06/94/02/305069402.db2.gz ASFKCJWZJUXYPE-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430938167 305069403 /nfs/dbraw/zinc/06/94/03/305069403.db2.gz ASFKCJWZJUXYPE-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430940027 305069578 /nfs/dbraw/zinc/06/95/78/305069578.db2.gz INTHTCPNFNPILN-VQIMIIECSA-N 2 2 345.487 1.863 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000430940027 305069579 /nfs/dbraw/zinc/06/95/79/305069579.db2.gz INTHTCPNFNPILN-VQIMIIECSA-N 2 2 345.487 1.863 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)C1 ZINC000430949116 305070142 /nfs/dbraw/zinc/07/01/42/305070142.db2.gz MMLVIMXNYNVAEC-PMPSAXMXSA-N 2 2 347.459 1.215 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)C1 ZINC000430949116 305070143 /nfs/dbraw/zinc/07/01/43/305070143.db2.gz MMLVIMXNYNVAEC-PMPSAXMXSA-N 2 2 347.459 1.215 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430974451 305071790 /nfs/dbraw/zinc/07/17/90/305071790.db2.gz ZOBIJJRVSQMZFD-TUVASFSCSA-N 2 2 333.432 1.000 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430974451 305071791 /nfs/dbraw/zinc/07/17/91/305071791.db2.gz ZOBIJJRVSQMZFD-TUVASFSCSA-N 2 2 333.432 1.000 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000431010702 305072786 /nfs/dbraw/zinc/07/27/86/305072786.db2.gz RALPDMIURGVLCR-YJBOKZPZSA-N 2 2 341.459 1.400 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000431050834 305073837 /nfs/dbraw/zinc/07/38/37/305073837.db2.gz NFNPGXUADZEJEE-ZNXRZULTSA-N 3 2 348.535 1.582 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000433944240 305115407 /nfs/dbraw/zinc/11/54/07/305115407.db2.gz VBDWDLVMPFYUAR-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000433944240 305115408 /nfs/dbraw/zinc/11/54/08/305115408.db2.gz VBDWDLVMPFYUAR-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434427315 305122309 /nfs/dbraw/zinc/12/23/09/305122309.db2.gz ZXYYYBRAIAJNET-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434427315 305122310 /nfs/dbraw/zinc/12/23/10/305122310.db2.gz ZXYYYBRAIAJNET-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)c1 ZINC000434660672 305126496 /nfs/dbraw/zinc/12/64/96/305126496.db2.gz DIPXUNKZTYDXSN-IBGZPJMESA-N 2 2 345.487 1.931 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000434660672 305126497 /nfs/dbraw/zinc/12/64/97/305126497.db2.gz DIPXUNKZTYDXSN-IBGZPJMESA-N 2 2 345.487 1.931 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC[C@]4(CNC(=O)C4)C3)sc2C1 ZINC000435062298 305135752 /nfs/dbraw/zinc/13/57/52/305135752.db2.gz YTGUSWKCCMMAPZ-KRWDZBQOSA-N 2 2 334.489 1.622 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@]4(CNC(=O)C4)C3)sc2C1 ZINC000435062298 305135753 /nfs/dbraw/zinc/13/57/53/305135753.db2.gz YTGUSWKCCMMAPZ-KRWDZBQOSA-N 2 2 334.489 1.622 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC[C@]4(CNC(=O)C4)C3)sc2C1 ZINC000435062298 305135754 /nfs/dbraw/zinc/13/57/54/305135754.db2.gz YTGUSWKCCMMAPZ-KRWDZBQOSA-N 2 2 334.489 1.622 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CC[C@]4(CNC(=O)C4)C3)sc2C1 ZINC000435062298 305135755 /nfs/dbraw/zinc/13/57/55/305135755.db2.gz YTGUSWKCCMMAPZ-KRWDZBQOSA-N 2 2 334.489 1.622 20 0 EDADLP Cc1cc(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)nn1C ZINC000435571541 305142853 /nfs/dbraw/zinc/14/28/53/305142853.db2.gz WGRIDZQOJGYENB-OAHLLOKOSA-N 2 2 342.447 1.247 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435613840 305143368 /nfs/dbraw/zinc/14/33/68/305143368.db2.gz CRLJMYFGBIFFOV-MRXNPFEDSA-N 2 2 332.448 1.401 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435613840 305143369 /nfs/dbraw/zinc/14/33/69/305143369.db2.gz CRLJMYFGBIFFOV-MRXNPFEDSA-N 2 2 332.448 1.401 20 0 EDADLP C[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435617662 305143453 /nfs/dbraw/zinc/14/34/53/305143453.db2.gz QGZAYJVCAPMISK-OAHLLOKOSA-N 2 2 339.867 1.909 20 0 EDADLP C[N@@H+](CC(=O)NCCOc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435617662 305143454 /nfs/dbraw/zinc/14/34/54/305143454.db2.gz QGZAYJVCAPMISK-OAHLLOKOSA-N 2 2 339.867 1.909 20 0 EDADLP CCCc1noc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435696583 305145591 /nfs/dbraw/zinc/14/55/91/305145591.db2.gz QHBKLCJKQCTZBR-CQSZACIVSA-N 2 2 344.463 1.900 20 0 EDADLP Cc1ncsc1C[N@H+](CCN1C(=O)CCC1=O)C[C@H]1CC[NH2+]C1 ZINC000435736038 305146683 /nfs/dbraw/zinc/14/66/83/305146683.db2.gz SRBRDXKBIICXEV-ZDUSSCGKSA-N 2 2 336.461 1.012 20 0 EDADLP Cc1ncsc1C[N@@H+](CCN1C(=O)CCC1=O)C[C@H]1CC[NH2+]C1 ZINC000435736038 305146684 /nfs/dbraw/zinc/14/66/84/305146684.db2.gz SRBRDXKBIICXEV-ZDUSSCGKSA-N 2 2 336.461 1.012 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000439362881 305196788 /nfs/dbraw/zinc/19/67/88/305196788.db2.gz WHVXQXXKOJMKTK-AWEZNQCLSA-N 2 2 341.415 1.363 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000439362881 305196789 /nfs/dbraw/zinc/19/67/89/305196789.db2.gz WHVXQXXKOJMKTK-AWEZNQCLSA-N 2 2 341.415 1.363 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@@H]1C ZINC000441069404 305216902 /nfs/dbraw/zinc/21/69/02/305216902.db2.gz DVYKTEILQRCIFB-UONOGXRCSA-N 2 2 344.459 1.512 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C[C@@H]1C ZINC000441069404 305216903 /nfs/dbraw/zinc/21/69/03/305216903.db2.gz DVYKTEILQRCIFB-UONOGXRCSA-N 2 2 344.459 1.512 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C[C@@H]1C ZINC000441069404 305216904 /nfs/dbraw/zinc/21/69/04/305216904.db2.gz DVYKTEILQRCIFB-UONOGXRCSA-N 2 2 344.459 1.512 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C[C@@H]1C ZINC000441069404 305216905 /nfs/dbraw/zinc/21/69/05/305216905.db2.gz DVYKTEILQRCIFB-UONOGXRCSA-N 2 2 344.459 1.512 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cn2)cc1 ZINC000449089998 305306292 /nfs/dbraw/zinc/30/62/92/305306292.db2.gz FVJKCRUPROSYBI-KRWDZBQOSA-N 2 2 330.432 1.427 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000449176178 305308790 /nfs/dbraw/zinc/30/87/90/305308790.db2.gz SKLSTFJVLLICQQ-HNNXBMFYSA-N 2 2 346.475 1.677 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc3c(c2)NCC3)CC1 ZINC000449360667 305312603 /nfs/dbraw/zinc/31/26/03/305312603.db2.gz IGWOMVDGDQYCGF-UHFFFAOYSA-N 2 2 330.476 1.339 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]CC[NH+]2CCC(O)CC2)c1 ZINC000449647463 305315613 /nfs/dbraw/zinc/31/56/13/305315613.db2.gz QERHGDURWGAODM-AWEZNQCLSA-N 2 2 335.448 1.459 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CF)CC2)C1 ZINC000451389103 305342926 /nfs/dbraw/zinc/34/29/26/305342926.db2.gz PVGKPABCLOSMTE-INIZCTEOSA-N 2 2 329.460 1.141 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CF)CC2)C1 ZINC000451389103 305342927 /nfs/dbraw/zinc/34/29/27/305342927.db2.gz PVGKPABCLOSMTE-INIZCTEOSA-N 2 2 329.460 1.141 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000452369336 305393767 /nfs/dbraw/zinc/39/37/67/305393767.db2.gz RSIDWBHJILDFMX-ROUUACIJSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000452369336 305393768 /nfs/dbraw/zinc/39/37/68/305393768.db2.gz RSIDWBHJILDFMX-ROUUACIJSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000452369336 305393769 /nfs/dbraw/zinc/39/37/69/305393769.db2.gz RSIDWBHJILDFMX-ROUUACIJSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+]1CCCO)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000452369336 305393770 /nfs/dbraw/zinc/39/37/70/305393770.db2.gz RSIDWBHJILDFMX-ROUUACIJSA-N 2 2 331.460 1.224 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[NH+](CC)CC ZINC000478990438 305543834 /nfs/dbraw/zinc/54/38/34/305543834.db2.gz QJNCVTYSWAPHJZ-IAGOWNOFSA-N 2 2 341.496 1.057 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414908266 447353060 /nfs/dbraw/zinc/35/30/60/447353060.db2.gz BEBXEACAVHACDI-UKRRQHHQSA-N 2 2 335.448 1.298 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)n1C ZINC000419698706 447356921 /nfs/dbraw/zinc/35/69/21/447356921.db2.gz TWCWUWQAHRQQGV-MRXNPFEDSA-N 2 2 345.422 1.516 20 0 EDADLP COC[C@]1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000515143123 305715590 /nfs/dbraw/zinc/71/55/90/305715590.db2.gz QJDSWPAXVDJLQY-GOSISDBHSA-N 2 2 347.463 1.118 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523397116 305809564 /nfs/dbraw/zinc/80/95/64/305809564.db2.gz VZCGPMXWNMVNEU-OAHLLOKOSA-N 2 2 340.431 1.753 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000419707773 447363019 /nfs/dbraw/zinc/36/30/19/447363019.db2.gz FZRBSSHOCOCMKL-ZIAGYGMSSA-N 2 2 341.459 1.942 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458435905 447365220 /nfs/dbraw/zinc/36/52/20/447365220.db2.gz RKTNJFUSJLRJQO-IYBDPMFKSA-N 2 2 335.452 1.134 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458435905 447365225 /nfs/dbraw/zinc/36/52/25/447365225.db2.gz RKTNJFUSJLRJQO-IYBDPMFKSA-N 2 2 335.452 1.134 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000531257384 305955912 /nfs/dbraw/zinc/95/59/12/305955912.db2.gz AIOZXRNVBSODCV-MRXNPFEDSA-N 2 2 330.432 1.276 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000535315173 306012841 /nfs/dbraw/zinc/01/28/41/306012841.db2.gz XGPCIQRESKWWOR-ZDUSSCGKSA-N 2 2 344.415 1.865 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000535315173 306012842 /nfs/dbraw/zinc/01/28/42/306012842.db2.gz XGPCIQRESKWWOR-ZDUSSCGKSA-N 2 2 344.415 1.865 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000540811506 306040607 /nfs/dbraw/zinc/04/06/07/306040607.db2.gz MKCIOOQOTXPQLV-INIZCTEOSA-N 2 2 343.475 1.706 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000540811506 306040608 /nfs/dbraw/zinc/04/06/08/306040608.db2.gz MKCIOOQOTXPQLV-INIZCTEOSA-N 2 2 343.475 1.706 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000545152932 306080792 /nfs/dbraw/zinc/08/07/92/306080792.db2.gz ZPAAVCXKESHMCW-UHFFFAOYSA-N 2 2 329.448 1.565 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000545152932 306080793 /nfs/dbraw/zinc/08/07/93/306080793.db2.gz ZPAAVCXKESHMCW-UHFFFAOYSA-N 2 2 329.448 1.565 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548333765 306124786 /nfs/dbraw/zinc/12/47/86/306124786.db2.gz XPAUYKUPVOUBGX-CVEARBPZSA-N 2 2 331.464 1.571 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548333765 306124787 /nfs/dbraw/zinc/12/47/87/306124787.db2.gz XPAUYKUPVOUBGX-CVEARBPZSA-N 2 2 331.464 1.571 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC000548825852 306139175 /nfs/dbraw/zinc/13/91/75/306139175.db2.gz CXJABAQHCDWGHJ-HKUYNNGSSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC000548825852 306139176 /nfs/dbraw/zinc/13/91/76/306139176.db2.gz CXJABAQHCDWGHJ-HKUYNNGSSA-N 2 2 345.487 1.826 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548978480 306143004 /nfs/dbraw/zinc/14/30/04/306143004.db2.gz MEBDSNVENZIKNX-GWCFXTLKSA-N 2 2 349.859 1.297 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548978480 306143005 /nfs/dbraw/zinc/14/30/05/306143005.db2.gz MEBDSNVENZIKNX-GWCFXTLKSA-N 2 2 349.859 1.297 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1F ZINC000551941925 306169851 /nfs/dbraw/zinc/16/98/51/306169851.db2.gz RWBPZQMTLYZPFU-HNNXBMFYSA-N 2 2 335.423 1.430 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1F ZINC000551941925 306169852 /nfs/dbraw/zinc/16/98/52/306169852.db2.gz RWBPZQMTLYZPFU-HNNXBMFYSA-N 2 2 335.423 1.430 20 0 EDADLP OCc1cn([C@@H]2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000552111151 306175193 /nfs/dbraw/zinc/17/51/93/306175193.db2.gz SZNAPUIJNAXWFJ-CQSZACIVSA-N 2 2 344.444 1.855 20 0 EDADLP OCc1cn([C@@H]2CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000552111151 306175194 /nfs/dbraw/zinc/17/51/94/306175194.db2.gz SZNAPUIJNAXWFJ-CQSZACIVSA-N 2 2 344.444 1.855 20 0 EDADLP CN(C)c1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1F ZINC000555418130 306202209 /nfs/dbraw/zinc/20/22/09/306202209.db2.gz LSFNLFFINVEACE-UHFFFAOYSA-N 2 2 336.455 1.648 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCc1cccc(Cl)c1 ZINC000555674149 306204864 /nfs/dbraw/zinc/20/48/64/306204864.db2.gz CIHPIZXFPHGVOJ-UHFFFAOYSA-N 2 2 333.823 1.502 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000449444320 447374249 /nfs/dbraw/zinc/37/42/49/447374249.db2.gz ZXIDWYAXNZIOJD-USXIJHARSA-N 2 2 339.505 1.424 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000449444320 447374254 /nfs/dbraw/zinc/37/42/54/447374254.db2.gz ZXIDWYAXNZIOJD-USXIJHARSA-N 2 2 339.505 1.424 20 0 EDADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414968026 447378957 /nfs/dbraw/zinc/37/89/57/447378957.db2.gz RAWHGUBASQSSPN-IBGZPJMESA-N 2 2 341.503 1.850 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000493774043 447390353 /nfs/dbraw/zinc/39/03/53/447390353.db2.gz YJYKNFUPLBDBDH-LMVHVUTASA-N 2 2 343.431 1.087 20 0 EDADLP C[C@H](NC(=O)C(=O)Nc1ccc(N)[nH+]c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000415156909 447393842 /nfs/dbraw/zinc/39/38/42/447393842.db2.gz MZBHFGLEANURJI-LRDDRELGSA-N 2 2 341.415 1.410 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000657092738 453676319 /nfs/dbraw/zinc/67/63/19/453676319.db2.gz LYCSLHHXQCPAID-UHFFFAOYSA-N 2 2 327.494 1.465 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000657092738 453676324 /nfs/dbraw/zinc/67/63/24/453676324.db2.gz LYCSLHHXQCPAID-UHFFFAOYSA-N 2 2 327.494 1.465 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)C[C@H](C)O1 ZINC000493852707 447410838 /nfs/dbraw/zinc/41/08/38/447410838.db2.gz ILRVIZXNAAGOHC-JQBDECOXSA-N 2 2 332.448 1.771 20 0 EDADLP C[C@@H]1C[N@H+](CC2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)C[C@H](C)O1 ZINC000493852707 447410843 /nfs/dbraw/zinc/41/08/43/447410843.db2.gz ILRVIZXNAAGOHC-JQBDECOXSA-N 2 2 332.448 1.771 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)CCC2 ZINC000458570744 447416538 /nfs/dbraw/zinc/41/65/38/447416538.db2.gz LTPJQMSDJCGBAZ-JKSUJKDBSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)CCC2 ZINC000458570744 447416543 /nfs/dbraw/zinc/41/65/43/447416543.db2.gz LTPJQMSDJCGBAZ-JKSUJKDBSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cccnc1CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458572747 447416984 /nfs/dbraw/zinc/41/69/84/447416984.db2.gz AZDYNNGJEWPOPI-UHFFFAOYSA-N 2 2 347.507 1.648 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCOC4(CCC4)C3)C2)CC1 ZINC000378330009 447419243 /nfs/dbraw/zinc/41/92/43/447419243.db2.gz PZBAOVMBNZXNCU-OAHLLOKOSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCOC4(CCC4)C3)C2)CC1 ZINC000378330009 447419248 /nfs/dbraw/zinc/41/92/48/447419248.db2.gz PZBAOVMBNZXNCU-OAHLLOKOSA-N 2 2 336.480 1.119 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415428474 447429180 /nfs/dbraw/zinc/42/91/80/447429180.db2.gz OWLLJKPAFBIBBK-CQSZACIVSA-N 2 2 329.404 1.300 20 0 EDADLP CC(C)[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000045779293 441033936 /nfs/dbraw/zinc/03/39/36/441033936.db2.gz ZHNCDGORMPLAEM-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP Cc1ccsc1C[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015312043 441200115 /nfs/dbraw/zinc/20/01/15/441200115.db2.gz KEXSNWCKTBZFMV-UHFFFAOYSA-N 2 2 339.505 1.715 20 0 EDADLP Cc1ccsc1C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000015312043 441200118 /nfs/dbraw/zinc/20/01/18/441200118.db2.gz KEXSNWCKTBZFMV-UHFFFAOYSA-N 2 2 339.505 1.715 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000104796716 441211187 /nfs/dbraw/zinc/21/11/87/441211187.db2.gz FPTGFLDSXYNJHV-IRXDYDNUSA-N 2 2 334.464 1.228 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000104796716 441211191 /nfs/dbraw/zinc/21/11/91/441211191.db2.gz FPTGFLDSXYNJHV-IRXDYDNUSA-N 2 2 334.464 1.228 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080973263 441215622 /nfs/dbraw/zinc/21/56/22/441215622.db2.gz YOICZCPELIUGEX-OAHLLOKOSA-N 2 2 328.416 1.914 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080973263 441215627 /nfs/dbraw/zinc/21/56/27/441215627.db2.gz YOICZCPELIUGEX-OAHLLOKOSA-N 2 2 328.416 1.914 20 0 EDADLP C[C@H](c1cccs1)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000016434963 441224635 /nfs/dbraw/zinc/22/46/35/441224635.db2.gz ORQASYLUMKNVCU-CQSZACIVSA-N 2 2 339.505 1.968 20 0 EDADLP C[C@H](c1cccs1)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000016434963 441224638 /nfs/dbraw/zinc/22/46/38/441224638.db2.gz ORQASYLUMKNVCU-CQSZACIVSA-N 2 2 339.505 1.968 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000105268602 441246775 /nfs/dbraw/zinc/24/67/75/441246775.db2.gz HDPZMPGXEQPNLZ-HNNXBMFYSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)[N@@H+](C)C1CC1 ZINC000105268602 441246779 /nfs/dbraw/zinc/24/67/79/441246779.db2.gz HDPZMPGXEQPNLZ-HNNXBMFYSA-N 2 2 331.464 1.392 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105299543 441249373 /nfs/dbraw/zinc/24/93/73/441249373.db2.gz CPEUBHPTKDETNX-HZPDHXFCSA-N 2 2 326.485 1.079 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000105897934 441312636 /nfs/dbraw/zinc/31/26/36/441312636.db2.gz HIAJCWCIQMGHHL-AWEZNQCLSA-N 2 2 328.482 1.364 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)C1 ZINC000105897934 441312640 /nfs/dbraw/zinc/31/26/40/441312640.db2.gz HIAJCWCIQMGHHL-AWEZNQCLSA-N 2 2 328.482 1.364 20 0 EDADLP NC(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000026221470 441371209 /nfs/dbraw/zinc/37/12/09/441371209.db2.gz ZTPPRZAEHANYNO-LJQANCHMSA-N 2 2 339.439 1.835 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1C ZINC000083737738 441373216 /nfs/dbraw/zinc/37/32/16/441373216.db2.gz IIVNJNKIBIVWJX-CYBMUJFWSA-N 2 2 331.424 1.646 20 0 EDADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1nccs1 ZINC000064344337 441375249 /nfs/dbraw/zinc/37/52/49/441375249.db2.gz LFNALKULMNAVQW-UHFFFAOYSA-N 2 2 338.477 1.516 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000074255300 441413259 /nfs/dbraw/zinc/41/32/59/441413259.db2.gz CUYFMYLAMUFZOU-INIZCTEOSA-N 2 2 342.443 1.772 20 0 EDADLP CCC(O)(CC)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051761097 441422668 /nfs/dbraw/zinc/42/26/68/441422668.db2.gz AAMQBIHUFVXKMD-UHFFFAOYSA-N 2 2 340.512 1.395 20 0 EDADLP CC(C)[NH2+]C1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000108369132 441449172 /nfs/dbraw/zinc/44/91/72/441449172.db2.gz FRYYYCHEDMYMHU-UHFFFAOYSA-N 2 2 348.491 1.386 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCOC1 ZINC000052072456 441433366 /nfs/dbraw/zinc/43/33/66/441433366.db2.gz IDOPAAXIQOVQFD-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCOC1 ZINC000052072456 441433369 /nfs/dbraw/zinc/43/33/69/441433369.db2.gz IDOPAAXIQOVQFD-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000052295592 441445879 /nfs/dbraw/zinc/44/58/79/441445879.db2.gz HHDBHYKASPFTNZ-UHFFFAOYSA-N 2 2 339.403 1.580 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000108883390 441479254 /nfs/dbraw/zinc/47/92/54/441479254.db2.gz ULTGKCLZILMCJZ-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000108883390 441479256 /nfs/dbraw/zinc/47/92/56/441479256.db2.gz ULTGKCLZILMCJZ-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000112914385 441566381 /nfs/dbraw/zinc/56/63/81/441566381.db2.gz ALUFVCISOOPZIE-IBGZPJMESA-N 2 2 346.519 1.507 20 0 EDADLP CC(C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000112914385 441566383 /nfs/dbraw/zinc/56/63/83/441566383.db2.gz ALUFVCISOOPZIE-IBGZPJMESA-N 2 2 346.519 1.507 20 0 EDADLP CC(C)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000112914385 441566386 /nfs/dbraw/zinc/56/63/86/441566386.db2.gz ALUFVCISOOPZIE-IBGZPJMESA-N 2 2 346.519 1.507 20 0 EDADLP CC(C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000112914385 441566389 /nfs/dbraw/zinc/56/63/89/441566389.db2.gz ALUFVCISOOPZIE-IBGZPJMESA-N 2 2 346.519 1.507 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113513368 441612531 /nfs/dbraw/zinc/61/25/31/441612531.db2.gz XBBWNAWGBFMZGI-LSDHHAIUSA-N 2 2 349.475 1.765 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000113513368 441612535 /nfs/dbraw/zinc/61/25/35/441612535.db2.gz XBBWNAWGBFMZGI-LSDHHAIUSA-N 2 2 349.475 1.765 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)ccc2n1C ZINC000076257229 441618697 /nfs/dbraw/zinc/61/86/97/441618697.db2.gz SKLMOGBKLACOFC-ZDUSSCGKSA-N 2 2 329.404 1.031 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H]3CCC[N@@H+](C)C3)ccc2n1C ZINC000076257229 441618699 /nfs/dbraw/zinc/61/86/99/441618699.db2.gz SKLMOGBKLACOFC-ZDUSSCGKSA-N 2 2 329.404 1.031 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000090662045 441640906 /nfs/dbraw/zinc/64/09/06/441640906.db2.gz MVLDZJWARSTZII-AEFFLSMTSA-N 2 2 333.476 1.671 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000090662045 441640910 /nfs/dbraw/zinc/64/09/10/441640910.db2.gz MVLDZJWARSTZII-AEFFLSMTSA-N 2 2 333.476 1.671 20 0 EDADLP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000158214526 441706848 /nfs/dbraw/zinc/70/68/48/441706848.db2.gz XOESAZNUVZTMNB-GJZGRUSLSA-N 2 2 338.452 1.887 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)Cn2cc[nH+]c2)o1 ZINC000056878965 441753751 /nfs/dbraw/zinc/75/37/51/441753751.db2.gz DQZZLUQORIAPBL-CQSZACIVSA-N 2 2 333.436 1.946 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000116412967 441818287 /nfs/dbraw/zinc/81/82/87/441818287.db2.gz XJFYTPJUHLOGTD-OAHLLOKOSA-N 2 2 342.528 1.763 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2[nH+]ccn2c1 ZINC000068394992 441790923 /nfs/dbraw/zinc/79/09/23/441790923.db2.gz AASGTNXEAJPART-UHFFFAOYSA-N 2 2 349.438 1.886 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[N@H+](C)C1CC1 ZINC000138949653 441801780 /nfs/dbraw/zinc/80/17/80/441801780.db2.gz JXSQLWYTMVIEGJ-HUUCEWRRSA-N 2 2 333.480 1.867 20 0 EDADLP C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000121989266 441824795 /nfs/dbraw/zinc/82/47/95/441824795.db2.gz RJYDLFRSGJAXOG-QGZVFWFLSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000121989266 441824799 /nfs/dbraw/zinc/82/47/99/441824799.db2.gz RJYDLFRSGJAXOG-QGZVFWFLSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000068593591 441828398 /nfs/dbraw/zinc/82/83/98/441828398.db2.gz DNQYOOUUXWIYJF-AEFFLSMTSA-N 2 2 348.491 1.699 20 0 EDADLP Nc1nc(-n2cccn2)cc(N2CCCC[C@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000092896589 441837376 /nfs/dbraw/zinc/83/73/76/441837376.db2.gz QVKAHEIKZAPPNJ-AWEZNQCLSA-N 2 2 327.436 1.699 20 0 EDADLP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000124310920 441916581 /nfs/dbraw/zinc/91/65/81/441916581.db2.gz VEWYORQXSJKDND-CABCVRRESA-N 2 2 334.439 1.157 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000174404602 441923224 /nfs/dbraw/zinc/92/32/24/441923224.db2.gz NZVSVDAWYZYMNJ-HNNXBMFYSA-N 2 2 330.476 1.860 20 0 EDADLP C[C@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000174805150 441970427 /nfs/dbraw/zinc/97/04/27/441970427.db2.gz NGENJAYFEFVANO-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000174805150 441970429 /nfs/dbraw/zinc/97/04/29/441970429.db2.gz NGENJAYFEFVANO-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000174486066 441930091 /nfs/dbraw/zinc/93/00/91/441930091.db2.gz UJXRQIFWSALYRN-SFHVURJKSA-N 2 2 347.459 1.060 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000174486066 441930094 /nfs/dbraw/zinc/93/00/94/441930094.db2.gz UJXRQIFWSALYRN-SFHVURJKSA-N 2 2 347.459 1.060 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000174524924 441934847 /nfs/dbraw/zinc/93/48/47/441934847.db2.gz AYMXZFQVBILULR-KRWDZBQOSA-N 2 2 342.443 1.311 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000174524924 441934852 /nfs/dbraw/zinc/93/48/52/441934852.db2.gz AYMXZFQVBILULR-KRWDZBQOSA-N 2 2 342.443 1.311 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000124779737 441952391 /nfs/dbraw/zinc/95/23/91/441952391.db2.gz BZSOIZFYBDBXCA-KRWDZBQOSA-N 2 2 336.455 1.404 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150797641 441952907 /nfs/dbraw/zinc/95/29/07/441952907.db2.gz VEKKIRMSOIFWMT-OAHLLOKOSA-N 2 2 327.428 1.700 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150797641 441952912 /nfs/dbraw/zinc/95/29/12/441952912.db2.gz VEKKIRMSOIFWMT-OAHLLOKOSA-N 2 2 327.428 1.700 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)NCc1ccco1 ZINC000150825643 441957270 /nfs/dbraw/zinc/95/72/70/441957270.db2.gz FIZGFGJRGGRDQB-AWEZNQCLSA-N 2 2 334.420 1.023 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)NCc1ccco1 ZINC000150825643 441957272 /nfs/dbraw/zinc/95/72/72/441957272.db2.gz FIZGFGJRGGRDQB-AWEZNQCLSA-N 2 2 334.420 1.023 20 0 EDADLP COCOc1ccc(OC)cc1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000120002790 441992167 /nfs/dbraw/zinc/99/21/67/441992167.db2.gz OLGHAVYRKVTGDS-OAHLLOKOSA-N 2 2 338.448 1.736 20 0 EDADLP CCOCC[N@@H+]1CCN(c2cncc(-n3cc[nH+]c3C)n2)C[C@@H]1CC ZINC000161941050 442047088 /nfs/dbraw/zinc/04/70/88/442047088.db2.gz LKWQBOCNRHHCQG-INIZCTEOSA-N 2 2 344.463 1.908 20 0 EDADLP CCOCC[N@H+]1CCN(c2cncc(-n3cc[nH+]c3C)n2)C[C@@H]1CC ZINC000161941050 442047094 /nfs/dbraw/zinc/04/70/94/442047094.db2.gz LKWQBOCNRHHCQG-INIZCTEOSA-N 2 2 344.463 1.908 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](Cc2ccncc2)CC1 ZINC000079551643 442061593 /nfs/dbraw/zinc/06/15/93/442061593.db2.gz LNWHOXLSSJRBSJ-ZWKOTPCHSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](Cc2ccncc2)CC1 ZINC000079551643 442061599 /nfs/dbraw/zinc/06/15/99/442061599.db2.gz LNWHOXLSSJRBSJ-ZWKOTPCHSA-N 2 2 343.475 1.536 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079733083 442082700 /nfs/dbraw/zinc/08/27/00/442082700.db2.gz OBDBENXYYXLCEP-WBVHZDCISA-N 2 2 329.448 1.744 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)NCCc1cn2c([nH+]1)CCCC2 ZINC000079770303 442084565 /nfs/dbraw/zinc/08/45/65/442084565.db2.gz OPPGIUHTSNHEBS-UHFFFAOYSA-N 2 2 330.436 1.738 20 0 EDADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]CC2=CCCOC2)c1 ZINC000126829795 442146939 /nfs/dbraw/zinc/14/69/39/442146939.db2.gz CEOCHMQFRVKLNS-UHFFFAOYSA-N 2 2 332.444 1.834 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CCSCC2)([NH+]2CCCCC2)CC1 ZINC000176103876 442177069 /nfs/dbraw/zinc/17/70/69/442177069.db2.gz KGDGOGLCNNOGDZ-UHFFFAOYSA-N 2 2 340.537 1.695 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000176163512 442184456 /nfs/dbraw/zinc/18/44/56/442184456.db2.gz GRJAOOIFBCWGDU-DOTOQJQBSA-N 2 2 348.495 1.001 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176163512 442184460 /nfs/dbraw/zinc/18/44/60/442184460.db2.gz GRJAOOIFBCWGDU-DOTOQJQBSA-N 2 2 348.495 1.001 20 0 EDADLP C[C@H](CC(=O)NCc1cccnc1-n1cc[nH+]c1)C1CC[NH2+]CC1 ZINC000164803436 442202859 /nfs/dbraw/zinc/20/28/59/442202859.db2.gz HKKDPLNRFQPBDV-CQSZACIVSA-N 2 2 327.432 1.909 20 0 EDADLP Cc1cccc(NC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000121354338 442207184 /nfs/dbraw/zinc/20/71/84/442207184.db2.gz YZAZUFPYDHSSAQ-UHFFFAOYSA-N 2 2 330.476 1.645 20 0 EDADLP C[NH+]1CCC([NH+]2CCC([NH2+]C3CCN(CC(F)F)CC3)CC2)CC1 ZINC000128045913 442241846 /nfs/dbraw/zinc/24/18/46/442241846.db2.gz YCRRARSKVRMJFC-UHFFFAOYSA-N 3 2 344.494 1.864 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000128428162 442266119 /nfs/dbraw/zinc/26/61/19/442266119.db2.gz PMJVEZCZVOODEJ-MSOLQXFVSA-N 2 2 340.427 1.855 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000128428162 442266120 /nfs/dbraw/zinc/26/61/20/442266120.db2.gz PMJVEZCZVOODEJ-MSOLQXFVSA-N 2 2 340.427 1.855 20 0 EDADLP C[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)Cn1cc[nH+]c1 ZINC000153808956 442304923 /nfs/dbraw/zinc/30/49/23/442304923.db2.gz IYUCWCACZIROOZ-OAHLLOKOSA-N 2 2 342.447 1.096 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOc2ccccc2F)CC1 ZINC000177112737 442298850 /nfs/dbraw/zinc/29/88/50/442298850.db2.gz ZUSMJFFHVWUQSA-UHFFFAOYSA-N 2 2 337.439 1.737 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000177125070 442300617 /nfs/dbraw/zinc/30/06/17/442300617.db2.gz FREGLWCLVFLYSA-UHFFFAOYSA-N 2 2 333.432 1.214 20 0 EDADLP Cc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2cnn(C)c2n1 ZINC000177124449 442300839 /nfs/dbraw/zinc/30/08/39/442300839.db2.gz PSEWKHFVWHWHCC-UHFFFAOYSA-N 2 2 344.463 1.033 20 0 EDADLP C[N@H+](CC(=O)NCC1CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255910 442321398 /nfs/dbraw/zinc/32/13/98/442321398.db2.gz XRKLIJYGDJHCJO-UHFFFAOYSA-N 2 2 344.503 1.937 20 0 EDADLP C[N@@H+](CC(=O)NCC1CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255910 442321401 /nfs/dbraw/zinc/32/14/01/442321401.db2.gz XRKLIJYGDJHCJO-UHFFFAOYSA-N 2 2 344.503 1.937 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C[C@H](C)[NH2+]1 ZINC000154162658 442324407 /nfs/dbraw/zinc/32/44/07/442324407.db2.gz HMLPHTHKTJXHMO-DAYGRLMNSA-N 3 2 341.459 1.010 20 0 EDADLP C[C@@H](NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177378764 442333805 /nfs/dbraw/zinc/33/38/05/442333805.db2.gz QTOIKJCYQAGANW-QGZVFWFLSA-N 2 2 346.519 1.822 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177378764 442333806 /nfs/dbraw/zinc/33/38/06/442333806.db2.gz QTOIKJCYQAGANW-QGZVFWFLSA-N 2 2 346.519 1.822 20 0 EDADLP C[C@@H](NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177378764 442333808 /nfs/dbraw/zinc/33/38/08/442333808.db2.gz QTOIKJCYQAGANW-QGZVFWFLSA-N 2 2 346.519 1.822 20 0 EDADLP C[C@@H](NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177378764 442333809 /nfs/dbraw/zinc/33/38/09/442333809.db2.gz QTOIKJCYQAGANW-QGZVFWFLSA-N 2 2 346.519 1.822 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(=O)n2ccccc2n1 ZINC000177382639 442334835 /nfs/dbraw/zinc/33/48/35/442334835.db2.gz DRFKRRNXAUDNCA-UHFFFAOYSA-N 2 2 343.475 1.152 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(=O)n2ccccc2n1 ZINC000177382639 442334837 /nfs/dbraw/zinc/33/48/37/442334837.db2.gz DRFKRRNXAUDNCA-UHFFFAOYSA-N 2 2 343.475 1.152 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154740097 442354291 /nfs/dbraw/zinc/35/42/91/442354291.db2.gz UVNDDYBUAOLTHA-KRWDZBQOSA-N 2 2 325.497 1.583 20 0 EDADLP COCCCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154740097 442354293 /nfs/dbraw/zinc/35/42/93/442354293.db2.gz UVNDDYBUAOLTHA-KRWDZBQOSA-N 2 2 325.497 1.583 20 0 EDADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCc2ccccc21 ZINC000129224290 442307050 /nfs/dbraw/zinc/30/70/50/442307050.db2.gz OAPJKANLSSLTMT-KRWDZBQOSA-N 2 2 343.471 1.620 20 0 EDADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCc2ccccc21 ZINC000129224290 442307051 /nfs/dbraw/zinc/30/70/51/442307051.db2.gz OAPJKANLSSLTMT-KRWDZBQOSA-N 2 2 343.471 1.620 20 0 EDADLP CC[C@H](COC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000129252166 442308296 /nfs/dbraw/zinc/30/82/96/442308296.db2.gz QSUUQXNHSDMRBI-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP O=c1n(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccccn21 ZINC000131888085 442382781 /nfs/dbraw/zinc/38/27/81/442382781.db2.gz BWIFTVZKQMAUHO-OAHLLOKOSA-N 2 2 325.372 1.044 20 0 EDADLP O=c1n(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccccn21 ZINC000131888085 442382783 /nfs/dbraw/zinc/38/27/83/442382783.db2.gz BWIFTVZKQMAUHO-OAHLLOKOSA-N 2 2 325.372 1.044 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901429 442388459 /nfs/dbraw/zinc/38/84/59/442388459.db2.gz ZEVHQJLAZRZTKA-GOSISDBHSA-N 2 2 339.443 1.921 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901429 442388462 /nfs/dbraw/zinc/38/84/62/442388462.db2.gz ZEVHQJLAZRZTKA-GOSISDBHSA-N 2 2 339.443 1.921 20 0 EDADLP C[C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCSCC1 ZINC000130849524 442358385 /nfs/dbraw/zinc/35/83/85/442358385.db2.gz VOPCGKVJQVSHDK-QLFBSQMISA-N 2 2 329.510 1.039 20 0 EDADLP C[C@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCSCC1 ZINC000130849524 442358387 /nfs/dbraw/zinc/35/83/87/442358387.db2.gz VOPCGKVJQVSHDK-QLFBSQMISA-N 2 2 329.510 1.039 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000178332994 442424644 /nfs/dbraw/zinc/42/46/44/442424644.db2.gz JLUBBMNAOZYQNN-YJBOKZPZSA-N 2 2 344.463 1.670 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000178332994 442424646 /nfs/dbraw/zinc/42/46/46/442424646.db2.gz JLUBBMNAOZYQNN-YJBOKZPZSA-N 2 2 344.463 1.670 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)[nH+]1 ZINC000155937421 442437872 /nfs/dbraw/zinc/43/78/72/442437872.db2.gz IFHQRJBMQPFRNN-GOOCMWNKSA-N 2 2 330.432 1.768 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)[nH+]1 ZINC000155937421 442437876 /nfs/dbraw/zinc/43/78/76/442437876.db2.gz IFHQRJBMQPFRNN-GOOCMWNKSA-N 2 2 330.432 1.768 20 0 EDADLP CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000156301893 442464221 /nfs/dbraw/zinc/46/42/21/442464221.db2.gz NIFOXQUILYCRQF-QGZVFWFLSA-N 2 2 335.448 1.064 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172460934 442466457 /nfs/dbraw/zinc/46/64/57/442466457.db2.gz ZPLUWBUPBOQQCI-UHFFFAOYSA-N 2 2 328.416 1.519 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000172462752 442467453 /nfs/dbraw/zinc/46/74/53/442467453.db2.gz ILFSXLTWDSMWAI-LSDHHAIUSA-N 2 2 335.452 1.123 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000172462752 442467460 /nfs/dbraw/zinc/46/74/60/442467460.db2.gz ILFSXLTWDSMWAI-LSDHHAIUSA-N 2 2 335.452 1.123 20 0 EDADLP CC(C)(C)n1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nn1 ZINC000191581208 442469532 /nfs/dbraw/zinc/46/95/32/442469532.db2.gz MYVSEFINCBBVIZ-GOSISDBHSA-N 2 2 343.475 1.890 20 0 EDADLP CC(C)(C)n1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)nn1 ZINC000191581208 442469534 /nfs/dbraw/zinc/46/95/34/442469534.db2.gz MYVSEFINCBBVIZ-GOSISDBHSA-N 2 2 343.475 1.890 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178778202 442482664 /nfs/dbraw/zinc/48/26/64/442482664.db2.gz VSNGYQIERVRTDN-OAHLLOKOSA-N 2 2 347.463 1.070 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000178778202 442482668 /nfs/dbraw/zinc/48/26/68/442482668.db2.gz VSNGYQIERVRTDN-OAHLLOKOSA-N 2 2 347.463 1.070 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000156990831 442539833 /nfs/dbraw/zinc/53/98/33/442539833.db2.gz WHDWRVUDWWZBGA-MRXNPFEDSA-N 2 2 341.496 1.007 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000172722059 442526376 /nfs/dbraw/zinc/52/63/76/442526376.db2.gz OHMLXGMMDJWDEF-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000172722059 442526377 /nfs/dbraw/zinc/52/63/77/442526377.db2.gz OHMLXGMMDJWDEF-KRWDZBQOSA-N 2 2 349.500 1.895 20 0 EDADLP Cn1c2ccccc2[nH+]c1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000179290648 442614216 /nfs/dbraw/zinc/61/42/16/442614216.db2.gz XIXRDJVCTWXQOT-UHFFFAOYSA-N 2 2 327.432 1.318 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3ccc(F)cc3C2)CC1 ZINC000179313950 442619713 /nfs/dbraw/zinc/61/97/13/442619713.db2.gz RIICVHGHWAIOGI-UHFFFAOYSA-N 2 2 348.466 1.919 20 0 EDADLP COCC[N@H+](C)CCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000192277878 442625347 /nfs/dbraw/zinc/62/53/47/442625347.db2.gz HIJKGOCNAPWCBM-UHFFFAOYSA-N 2 2 325.482 1.410 20 0 EDADLP COCC[N@@H+](C)CCCNc1cc(N2CCSCC2)nc[nH+]1 ZINC000192277878 442625353 /nfs/dbraw/zinc/62/53/53/442625353.db2.gz HIJKGOCNAPWCBM-UHFFFAOYSA-N 2 2 325.482 1.410 20 0 EDADLP COCC[N@H+](C)CCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000192277878 442625358 /nfs/dbraw/zinc/62/53/58/442625358.db2.gz HIJKGOCNAPWCBM-UHFFFAOYSA-N 2 2 325.482 1.410 20 0 EDADLP COCC[N@@H+](C)CCCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000192277878 442625363 /nfs/dbraw/zinc/62/53/63/442625363.db2.gz HIJKGOCNAPWCBM-UHFFFAOYSA-N 2 2 325.482 1.410 20 0 EDADLP Cc1cc(=O)[nH]c([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000192708158 442679042 /nfs/dbraw/zinc/67/90/42/442679042.db2.gz YDUHMOJTMAGBDM-VPSFDDGASA-N 2 2 345.491 1.794 20 0 EDADLP Cc1cc(=O)[nH]c([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000192708158 442679043 /nfs/dbraw/zinc/67/90/43/442679043.db2.gz YDUHMOJTMAGBDM-VPSFDDGASA-N 2 2 345.491 1.794 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cccnc1 ZINC000181623061 442707037 /nfs/dbraw/zinc/70/70/37/442707037.db2.gz SKRMCTNENIVXFT-HNNXBMFYSA-N 2 2 328.416 1.670 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953559 442671682 /nfs/dbraw/zinc/67/16/82/442671682.db2.gz VKGVGLFLAMRPPA-MRXNPFEDSA-N 2 2 332.492 1.971 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953559 442671683 /nfs/dbraw/zinc/67/16/83/442671683.db2.gz VKGVGLFLAMRPPA-MRXNPFEDSA-N 2 2 332.492 1.971 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180953559 442671684 /nfs/dbraw/zinc/67/16/84/442671684.db2.gz VKGVGLFLAMRPPA-MRXNPFEDSA-N 2 2 332.492 1.971 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180953559 442671685 /nfs/dbraw/zinc/67/16/85/442671685.db2.gz VKGVGLFLAMRPPA-MRXNPFEDSA-N 2 2 332.492 1.971 20 0 EDADLP C[N@H+](C[C@@H](O)C(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188267402 442731511 /nfs/dbraw/zinc/73/15/11/442731511.db2.gz TYINOCXRIUAKAK-HUUCEWRRSA-N 2 2 332.366 1.478 20 0 EDADLP C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188267402 442731512 /nfs/dbraw/zinc/73/15/12/442731512.db2.gz TYINOCXRIUAKAK-HUUCEWRRSA-N 2 2 332.366 1.478 20 0 EDADLP C[NH+](C[C@@H](O)C(F)(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188267402 442731515 /nfs/dbraw/zinc/73/15/15/442731515.db2.gz TYINOCXRIUAKAK-HUUCEWRRSA-N 2 2 332.366 1.478 20 0 EDADLP C[NH+](C[C@@H](O)C(F)(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188267402 442731517 /nfs/dbraw/zinc/73/15/17/442731517.db2.gz TYINOCXRIUAKAK-HUUCEWRRSA-N 2 2 332.366 1.478 20 0 EDADLP CCCCNC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182561775 442787465 /nfs/dbraw/zinc/78/74/65/442787465.db2.gz HRPCRHAEAUNCKD-XNHLSEOASA-N 2 2 336.524 1.534 20 0 EDADLP CCCCNC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182561775 442787468 /nfs/dbraw/zinc/78/74/68/442787468.db2.gz HRPCRHAEAUNCKD-XNHLSEOASA-N 2 2 336.524 1.534 20 0 EDADLP CCCCNC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182561775 442787470 /nfs/dbraw/zinc/78/74/70/442787470.db2.gz HRPCRHAEAUNCKD-XNHLSEOASA-N 2 2 336.524 1.534 20 0 EDADLP CCCCNC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182561775 442787474 /nfs/dbraw/zinc/78/74/74/442787474.db2.gz HRPCRHAEAUNCKD-XNHLSEOASA-N 2 2 336.524 1.534 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)nc1 ZINC000182681173 442805353 /nfs/dbraw/zinc/80/53/53/442805353.db2.gz VYXGDKOBLAHOQL-UHFFFAOYSA-N 2 2 343.431 1.667 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246323289 442771768 /nfs/dbraw/zinc/77/17/68/442771768.db2.gz AGCNOXCCHOURIS-QZWWFDLISA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246323289 442771773 /nfs/dbraw/zinc/77/17/73/442771773.db2.gz AGCNOXCCHOURIS-QZWWFDLISA-N 2 2 340.512 1.515 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000246319894 442771986 /nfs/dbraw/zinc/77/19/86/442771986.db2.gz NYQOPQVIBLNHFE-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000246319894 442771990 /nfs/dbraw/zinc/77/19/90/442771990.db2.gz NYQOPQVIBLNHFE-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)c1n[nH]cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000193755465 442780972 /nfs/dbraw/zinc/78/09/72/442780972.db2.gz YIWVFFYLUWNMJZ-XYPWUTKMSA-N 2 2 345.491 1.916 20 0 EDADLP CC(C)c1n[nH]cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000193755465 442780974 /nfs/dbraw/zinc/78/09/74/442780974.db2.gz YIWVFFYLUWNMJZ-XYPWUTKMSA-N 2 2 345.491 1.916 20 0 EDADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC1CC2 ZINC000188855011 442828900 /nfs/dbraw/zinc/82/89/00/442828900.db2.gz SOWXYMNWSWTFTF-SFHVURJKSA-N 2 2 329.444 1.194 20 0 EDADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+]2CCC1CC2 ZINC000188855011 442828904 /nfs/dbraw/zinc/82/89/04/442828904.db2.gz SOWXYMNWSWTFTF-SFHVURJKSA-N 2 2 329.444 1.194 20 0 EDADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000247186190 442840387 /nfs/dbraw/zinc/84/03/87/442840387.db2.gz BNRWCWWTYBVQRI-BRWVUGGUSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000247186190 442840391 /nfs/dbraw/zinc/84/03/91/442840391.db2.gz BNRWCWWTYBVQRI-BRWVUGGUSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000268101252 442848825 /nfs/dbraw/zinc/84/88/25/442848825.db2.gz ADSITXLQBSTEPW-YJBOKZPZSA-N 2 2 343.475 1.392 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000268101252 442848826 /nfs/dbraw/zinc/84/88/26/442848826.db2.gz ADSITXLQBSTEPW-YJBOKZPZSA-N 2 2 343.475 1.392 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)/C=C/C[NH+](C)C)CCCC2)no1 ZINC000265656334 442866696 /nfs/dbraw/zinc/86/66/96/442866696.db2.gz PQLKPANCJGBBSC-MDZDMXLPSA-N 2 2 349.479 1.915 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000183061329 442872335 /nfs/dbraw/zinc/87/23/35/442872335.db2.gz DIBQXCZXBVKKLW-RDTXWAMCSA-N 2 2 346.475 1.663 20 0 EDADLP Cn1c2ccccc2[nH+]c1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000179283985 318455686 /nfs/dbraw/zinc/45/56/86/318455686.db2.gz JPSIWJBAMHVMDI-UHFFFAOYSA-N 2 2 337.431 1.597 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCOCC1 ZINC000179839725 318462981 /nfs/dbraw/zinc/46/29/81/318462981.db2.gz QRFVSDZQGHFCQJ-HNNXBMFYSA-N 2 2 335.448 1.329 20 0 EDADLP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000248435441 442891305 /nfs/dbraw/zinc/89/13/05/442891305.db2.gz AEOFJJYGEGSVDH-SQNIBIBYSA-N 2 2 337.508 1.726 20 0 EDADLP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1(C)C ZINC000181464398 318484409 /nfs/dbraw/zinc/48/44/09/318484409.db2.gz HKSUQPYZZVNBBE-SJORKVTESA-N 2 2 347.507 1.782 20 0 EDADLP COc1cc2[nH+]c(N3C[C@@H](C)[C@@H]([NH+](C)C)C3)nc(N)c2cc1OC ZINC000268213068 442902424 /nfs/dbraw/zinc/90/24/24/442902424.db2.gz IKCDDSFLGVRARZ-MFKMUULPSA-N 2 2 331.420 1.616 20 0 EDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nncn2C)CC1 ZINC000181642266 318487154 /nfs/dbraw/zinc/48/71/54/318487154.db2.gz GWKVFTQSFUPKMY-AWEZNQCLSA-N 2 2 346.454 1.947 20 0 EDADLP C[C@@H](CC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000194564349 442915343 /nfs/dbraw/zinc/91/53/43/442915343.db2.gz LVESYFUUFGAQAR-PKOBYXMFSA-N 2 2 345.487 1.703 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH+](C)C)CC1 ZINC000194683465 442937131 /nfs/dbraw/zinc/93/71/31/442937131.db2.gz MGFJJFKSCPQYKV-KRWDZBQOSA-N 2 2 347.507 1.575 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@H]1[NH+](C)C ZINC000268411058 442979456 /nfs/dbraw/zinc/97/94/56/442979456.db2.gz URCQQJWZOXLLSN-GOEBONIOSA-N 2 2 331.464 1.773 20 0 EDADLP Cc1nn(C)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000189708369 442996141 /nfs/dbraw/zinc/99/61/41/442996141.db2.gz WBVXDJKYFHWPOR-UHFFFAOYSA-N 2 2 348.495 1.800 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000268749790 443096585 /nfs/dbraw/zinc/09/65/85/443096585.db2.gz BWFZKCAYWLGIAI-IAOVAPTHSA-N 2 2 337.489 1.872 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000268749790 443096591 /nfs/dbraw/zinc/09/65/91/443096591.db2.gz BWFZKCAYWLGIAI-IAOVAPTHSA-N 2 2 337.489 1.872 20 0 EDADLP CC[C@]1(C)C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000190097428 443056928 /nfs/dbraw/zinc/05/69/28/443056928.db2.gz BMVANXSOEVOISL-QFBILLFUSA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@]1(C)C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000190097428 443056930 /nfs/dbraw/zinc/05/69/30/443056930.db2.gz BMVANXSOEVOISL-QFBILLFUSA-N 2 2 346.475 1.620 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000190099214 443057113 /nfs/dbraw/zinc/05/71/13/443057113.db2.gz LUISPBBYPCIHDQ-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000190281461 443080356 /nfs/dbraw/zinc/08/03/56/443080356.db2.gz MFMDYJGTBZKOSM-AWEZNQCLSA-N 2 2 329.366 1.890 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000190281461 443080361 /nfs/dbraw/zinc/08/03/61/443080361.db2.gz MFMDYJGTBZKOSM-AWEZNQCLSA-N 2 2 329.366 1.890 20 0 EDADLP Cc1nc(N2CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC2)cc[nH+]1 ZINC000184933782 443100714 /nfs/dbraw/zinc/10/07/14/443100714.db2.gz RNGSMLJTIJCIHD-UHFFFAOYSA-N 2 2 342.447 1.844 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2c[nH]nc2C2CC2)([NH+]2CCCCC2)CC1 ZINC000190509533 443122758 /nfs/dbraw/zinc/12/27/58/443122758.db2.gz DUYGDGVEAUCUNZ-UHFFFAOYSA-N 2 2 345.491 1.967 20 0 EDADLP COc1ccc(OC)c(CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000261940794 443174902 /nfs/dbraw/zinc/17/49/02/443174902.db2.gz MRNPYNPEQPHTGH-MRXNPFEDSA-N 2 2 333.476 1.821 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000261940794 443174904 /nfs/dbraw/zinc/17/49/04/443174904.db2.gz MRNPYNPEQPHTGH-MRXNPFEDSA-N 2 2 333.476 1.821 20 0 EDADLP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)[nH+]c1 ZINC000262052733 443181754 /nfs/dbraw/zinc/18/17/54/443181754.db2.gz ZVPZYOBPODESIY-KURKYZTESA-N 3 2 330.476 1.797 20 0 EDADLP COc1cc2[nH+]c(N(C)CCCn3cc[nH+]c3)nc(N)c2cc1OC ZINC000268949249 443156263 /nfs/dbraw/zinc/15/62/63/443156263.db2.gz HPZIKXVMILNZRT-UHFFFAOYSA-N 2 2 342.403 1.952 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000269229446 443241775 /nfs/dbraw/zinc/24/17/75/443241775.db2.gz HJUFNEORMSLWNS-QGZVFWFLSA-N 2 2 332.448 1.189 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@H]3C[NH2+]CCO3)n2)C1 ZINC000262637248 443205273 /nfs/dbraw/zinc/20/52/73/443205273.db2.gz IFFVCDXFYICLDL-JSGCOSHPSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@H]3C[NH2+]CCO3)n2)C1 ZINC000262637248 443205274 /nfs/dbraw/zinc/20/52/74/443205274.db2.gz IFFVCDXFYICLDL-JSGCOSHPSA-N 2 2 338.477 1.692 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000262856093 443214700 /nfs/dbraw/zinc/21/47/00/443214700.db2.gz KRFMXKRLTMIGPB-SJLPKXTDSA-N 2 2 349.475 1.100 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)[C@H]3CCCCNC3=O)CCC[NH+]2C)cn1 ZINC000411584366 319185937 /nfs/dbraw/zinc/18/59/37/319185937.db2.gz PXKOHCYWAJDVFK-BHYGNILZSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)[C@H]3CCCCNC3=O)CCC[NH+]2C)cn1 ZINC000411584366 319185939 /nfs/dbraw/zinc/18/59/39/319185939.db2.gz PXKOHCYWAJDVFK-BHYGNILZSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)[C@H]3CCCCNC3=O)CCC[N@@H+]2C)cn1 ZINC000411584366 319185941 /nfs/dbraw/zinc/18/59/41/319185941.db2.gz PXKOHCYWAJDVFK-BHYGNILZSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)[C@H]3CCCCNC3=O)CCC[N@H+]2C)cn1 ZINC000411584366 319185944 /nfs/dbraw/zinc/18/59/44/319185944.db2.gz PXKOHCYWAJDVFK-BHYGNILZSA-N 2 2 333.480 1.404 20 0 EDADLP CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411590593 319186152 /nfs/dbraw/zinc/18/61/52/319186152.db2.gz KHXWDGKYUSMHQI-UHFFFAOYSA-N 2 2 329.404 1.263 20 0 EDADLP CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411590593 319186155 /nfs/dbraw/zinc/18/61/55/319186155.db2.gz KHXWDGKYUSMHQI-UHFFFAOYSA-N 2 2 329.404 1.263 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000413536348 319274803 /nfs/dbraw/zinc/27/48/03/319274803.db2.gz VIAKXCKHWBSDFS-JKSUJKDBSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc[nH+]1 ZINC000413536348 319274804 /nfs/dbraw/zinc/27/48/04/319274804.db2.gz VIAKXCKHWBSDFS-JKSUJKDBSA-N 2 2 341.459 1.980 20 0 EDADLP CN(C(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+]1CCOCC1 ZINC000414054628 319313785 /nfs/dbraw/zinc/31/37/85/319313785.db2.gz UXDYEWVZEZLYAX-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP CN(C(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+]1CCOCC1 ZINC000414054628 319313788 /nfs/dbraw/zinc/31/37/88/319313788.db2.gz UXDYEWVZEZLYAX-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccn(C)n3)cn2)CC1 ZINC000414083887 319316614 /nfs/dbraw/zinc/31/66/14/319316614.db2.gz XFUALKJHHLGQNF-HNNXBMFYSA-N 2 2 328.464 1.808 20 0 EDADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)N1CCCCC1 ZINC000266951779 443300931 /nfs/dbraw/zinc/30/09/31/443300931.db2.gz UOZHYSPLGPYLMW-LSDHHAIUSA-N 2 2 347.463 1.106 20 0 EDADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)N1CCCCC1 ZINC000266951779 443300936 /nfs/dbraw/zinc/30/09/36/443300936.db2.gz UOZHYSPLGPYLMW-LSDHHAIUSA-N 2 2 347.463 1.106 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000266952895 443301932 /nfs/dbraw/zinc/30/19/32/443301932.db2.gz ILGBXLPYMABKJZ-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000266952895 443301939 /nfs/dbraw/zinc/30/19/39/443301939.db2.gz ILGBXLPYMABKJZ-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266965612 443305111 /nfs/dbraw/zinc/30/51/11/443305111.db2.gz XZAPGLMTBARBPZ-MRXNPFEDSA-N 2 2 327.432 1.372 20 0 EDADLP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)CCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000267107014 443343747 /nfs/dbraw/zinc/34/37/47/443343747.db2.gz MGLSGNKTSCOBMF-CABCVRRESA-N 2 2 348.472 1.913 20 0 EDADLP C[C@@H]1C[N@H+]([C@@H](CNC(=O)CCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000267107014 443343753 /nfs/dbraw/zinc/34/37/53/443343753.db2.gz MGLSGNKTSCOBMF-CABCVRRESA-N 2 2 348.472 1.913 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416886270 319468930 /nfs/dbraw/zinc/46/89/30/319468930.db2.gz GUHFYNNLEFDSDA-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000416928283 319476599 /nfs/dbraw/zinc/47/65/99/319476599.db2.gz XXZSPQTVBDCUEG-LSDHHAIUSA-N 2 2 331.395 1.700 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)[nH+]c2c1 ZINC000272498388 443340605 /nfs/dbraw/zinc/34/06/05/443340605.db2.gz VIBDJKHZNFLACW-GDBMZVCRSA-N 2 2 327.432 1.878 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000264717516 443389364 /nfs/dbraw/zinc/38/93/64/443389364.db2.gz GWQBDHSJRLIKLP-MOTZXUDYSA-N 2 2 339.443 1.248 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000264717516 443389370 /nfs/dbraw/zinc/38/93/70/443389370.db2.gz GWQBDHSJRLIKLP-MOTZXUDYSA-N 2 2 339.443 1.248 20 0 EDADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269571064 443351027 /nfs/dbraw/zinc/35/10/27/443351027.db2.gz UVCRUJPVXSYJGK-LJQANCHMSA-N 2 2 342.487 1.402 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267188221 443371656 /nfs/dbraw/zinc/37/16/56/443371656.db2.gz CWBVZIKSMBAIIL-IHPCNDPISA-N 2 2 346.519 1.284 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267188221 443371658 /nfs/dbraw/zinc/37/16/58/443371658.db2.gz CWBVZIKSMBAIIL-IHPCNDPISA-N 2 2 346.519 1.284 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000264730989 443395478 /nfs/dbraw/zinc/39/54/78/443395478.db2.gz HSIQJNVFOPHECA-AWEZNQCLSA-N 2 2 339.867 1.837 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000264730989 443395481 /nfs/dbraw/zinc/39/54/81/443395481.db2.gz HSIQJNVFOPHECA-AWEZNQCLSA-N 2 2 339.867 1.837 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272887514 443479692 /nfs/dbraw/zinc/47/96/92/443479692.db2.gz ZQPCZJCUGUOEMP-GOSISDBHSA-N 2 2 342.443 1.546 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000282989586 443489421 /nfs/dbraw/zinc/48/94/21/443489421.db2.gz GARVCUNOIHDBJM-HNNXBMFYSA-N 2 2 330.432 1.031 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000282989586 443489426 /nfs/dbraw/zinc/48/94/26/443489426.db2.gz GARVCUNOIHDBJM-HNNXBMFYSA-N 2 2 330.432 1.031 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422729107 319733738 /nfs/dbraw/zinc/73/37/38/319733738.db2.gz BHSYHGDCGOLBEJ-CZUORRHYSA-N 2 2 325.478 1.603 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(=O)NCCc1ccccc1 ZINC000422933481 319738924 /nfs/dbraw/zinc/73/89/24/319738924.db2.gz HUYULUJEPLIKRP-LPHOPBHVSA-N 2 2 325.456 1.893 20 0 EDADLP COC[C@]1(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000423307374 319763023 /nfs/dbraw/zinc/76/30/23/319763023.db2.gz VUCZYDQBWZFNLQ-SFHVURJKSA-N 2 2 328.416 1.174 20 0 EDADLP C[C@H](CC(=O)N(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272179947 443549312 /nfs/dbraw/zinc/54/93/12/443549312.db2.gz FQQAGGMWFZOGAU-CQSZACIVSA-N 2 2 333.480 1.891 20 0 EDADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000430971266 319936587 /nfs/dbraw/zinc/93/65/87/319936587.db2.gz MNKJEMUDWZBVOR-GOEBONIOSA-N 2 2 347.459 1.357 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000279989019 443654006 /nfs/dbraw/zinc/65/40/06/443654006.db2.gz GISBCUITRFRHGF-KRWDZBQOSA-N 2 2 334.464 1.942 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000279989019 443654010 /nfs/dbraw/zinc/65/40/10/443654010.db2.gz GISBCUITRFRHGF-KRWDZBQOSA-N 2 2 334.464 1.942 20 0 EDADLP C[C@@H]1CCSCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000286146281 443655704 /nfs/dbraw/zinc/65/57/04/443655704.db2.gz NHUURCKEGLJLBS-MRXNPFEDSA-N 2 2 348.516 1.948 20 0 EDADLP C[C@@H]1CCSCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000286146281 443655705 /nfs/dbraw/zinc/65/57/05/443655705.db2.gz NHUURCKEGLJLBS-MRXNPFEDSA-N 2 2 348.516 1.948 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434102787 319992903 /nfs/dbraw/zinc/99/29/03/319992903.db2.gz CTFYNYZONWOYHT-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CCOC(=O)[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12COC2 ZINC000449362744 320184062 /nfs/dbraw/zinc/18/40/62/320184062.db2.gz KPWLPEUUJQPAHC-OAHLLOKOSA-N 2 2 347.440 1.945 20 0 EDADLP CCOC(=O)[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12COC2 ZINC000449362744 320184065 /nfs/dbraw/zinc/18/40/65/320184065.db2.gz KPWLPEUUJQPAHC-OAHLLOKOSA-N 2 2 347.440 1.945 20 0 EDADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389346 320186589 /nfs/dbraw/zinc/18/65/89/320186589.db2.gz SBYKHPKLAUOKQP-HZPDHXFCSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389346 320186591 /nfs/dbraw/zinc/18/65/91/320186591.db2.gz SBYKHPKLAUOKQP-HZPDHXFCSA-N 2 2 349.475 1.849 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000449389488 320186734 /nfs/dbraw/zinc/18/67/34/320186734.db2.gz DDMLJWKHNUNBGF-GOSISDBHSA-N 2 2 333.476 1.460 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000449389488 320186735 /nfs/dbraw/zinc/18/67/35/320186735.db2.gz DDMLJWKHNUNBGF-GOSISDBHSA-N 2 2 333.476 1.460 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000449393245 320187819 /nfs/dbraw/zinc/18/78/19/320187819.db2.gz LUZBFPULTPLGBF-IBGZPJMESA-N 2 2 328.460 1.868 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000449393245 320187820 /nfs/dbraw/zinc/18/78/20/320187820.db2.gz LUZBFPULTPLGBF-IBGZPJMESA-N 2 2 328.460 1.868 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449393722 320187831 /nfs/dbraw/zinc/18/78/31/320187831.db2.gz CROAMBVRFYTITR-DLBZAZTESA-N 2 2 325.497 1.604 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449393722 320187832 /nfs/dbraw/zinc/18/78/32/320187832.db2.gz CROAMBVRFYTITR-DLBZAZTESA-N 2 2 325.497 1.604 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449396835 320188298 /nfs/dbraw/zinc/18/82/98/320188298.db2.gz SYKHOCVPVZUBTG-WMLDXEAASA-N 2 2 337.439 1.979 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449396835 320188300 /nfs/dbraw/zinc/18/83/00/320188300.db2.gz SYKHOCVPVZUBTG-WMLDXEAASA-N 2 2 337.439 1.979 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449395046 320188521 /nfs/dbraw/zinc/18/85/21/320188521.db2.gz PEEZNJFKLDTLJU-SFHVURJKSA-N 3 2 329.448 1.512 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449395046 320188524 /nfs/dbraw/zinc/18/85/24/320188524.db2.gz PEEZNJFKLDTLJU-SFHVURJKSA-N 3 2 329.448 1.512 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000449476223 320191983 /nfs/dbraw/zinc/19/19/83/320191983.db2.gz ZLZWFSALTBVFFS-DYVFJYSZSA-N 2 2 337.489 1.509 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000449476223 320191985 /nfs/dbraw/zinc/19/19/85/320191985.db2.gz ZLZWFSALTBVFFS-DYVFJYSZSA-N 2 2 337.489 1.509 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC23CCSCC3)CC1 ZINC000450046031 320210224 /nfs/dbraw/zinc/21/02/24/320210224.db2.gz HWCMQUQCKZQIDO-HNNXBMFYSA-N 2 2 325.522 1.662 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000450211599 320213762 /nfs/dbraw/zinc/21/37/62/320213762.db2.gz AUKNBHHYDGYCKC-AEFFLSMTSA-N 2 2 336.524 1.534 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000450211599 320213763 /nfs/dbraw/zinc/21/37/63/320213763.db2.gz AUKNBHHYDGYCKC-AEFFLSMTSA-N 2 2 336.524 1.534 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cnnn2)cc1 ZINC000453276143 320262033 /nfs/dbraw/zinc/26/20/33/320262033.db2.gz XISQQXQKHSEGON-RHSMWYFYSA-N 2 2 330.436 1.160 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(-n2cnnn2)cc1 ZINC000453276143 320262034 /nfs/dbraw/zinc/26/20/34/320262034.db2.gz XISQQXQKHSEGON-RHSMWYFYSA-N 2 2 330.436 1.160 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000276223803 443670410 /nfs/dbraw/zinc/67/04/10/443670410.db2.gz LOWJEDJFVXYBAC-HNNXBMFYSA-N 2 2 345.443 1.681 20 0 EDADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(F)F ZINC000454459998 320289342 /nfs/dbraw/zinc/28/93/42/320289342.db2.gz QXDJBJBLISMBHY-CQSZACIVSA-N 2 2 332.439 1.888 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079489 320319124 /nfs/dbraw/zinc/31/91/24/320319124.db2.gz FMNYUGVNHJAWSS-CYBMUJFWSA-N 2 2 337.386 1.192 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079489 320319125 /nfs/dbraw/zinc/31/91/25/320319125.db2.gz FMNYUGVNHJAWSS-CYBMUJFWSA-N 2 2 337.386 1.192 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457747229 320334712 /nfs/dbraw/zinc/33/47/12/320334712.db2.gz OLGVXGDKDTUXJL-UHFFFAOYSA-N 2 2 330.476 1.013 20 0 EDADLP Cn1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C2CC2)n1 ZINC000516522375 320437101 /nfs/dbraw/zinc/43/71/01/320437101.db2.gz RSNRNDPZWMSSJU-UHFFFAOYSA-N 2 2 334.468 1.445 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1)C[NH+]1CCOCC1 ZINC000298608665 443815603 /nfs/dbraw/zinc/81/56/03/443815603.db2.gz ZTZXACJPJBEGRI-ZWKOTPCHSA-N 2 2 347.503 1.970 20 0 EDADLP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1F ZINC000530240349 320616938 /nfs/dbraw/zinc/61/69/38/320616938.db2.gz ZIRSQUMJLGXOHL-OAHLLOKOSA-N 2 2 335.423 1.855 20 0 EDADLP COc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc(OC)c1OC ZINC000298718737 443848272 /nfs/dbraw/zinc/84/82/72/443848272.db2.gz KGCTVNFDXNQBTL-ZFWWWQNUSA-N 2 2 338.448 1.820 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000288343695 443850508 /nfs/dbraw/zinc/85/05/08/443850508.db2.gz YUUNJWDIPUENMI-LBPRGKRZSA-N 2 2 329.404 1.092 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000531204045 320651408 /nfs/dbraw/zinc/65/14/08/320651408.db2.gz KOSSHHGKGWWGTO-UHFFFAOYSA-N 2 2 325.416 1.886 20 0 EDADLP CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C(C)C ZINC000298826016 443879027 /nfs/dbraw/zinc/87/90/27/443879027.db2.gz BLAAGWNABDRJBB-UHFFFAOYSA-N 2 2 345.447 1.898 20 0 EDADLP c1cn2c([nH+]1)CC[C@@H](CNc1cc(N3CCSCC3)nc[nH+]1)C2 ZINC000288481946 443895023 /nfs/dbraw/zinc/89/50/23/443895023.db2.gz RVVPEWVHIFPXSS-ZDUSSCGKSA-N 2 2 330.461 1.901 20 0 EDADLP c1cn2c([nH+]1)CC[C@@H](CNc1cc(N3CCSCC3)[nH+]cn1)C2 ZINC000288481946 443895027 /nfs/dbraw/zinc/89/50/27/443895027.db2.gz RVVPEWVHIFPXSS-ZDUSSCGKSA-N 2 2 330.461 1.901 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000285106096 443857599 /nfs/dbraw/zinc/85/75/99/443857599.db2.gz GPOZGVFRPFGGNV-LALPHHSUSA-N 2 2 335.452 1.023 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277229214 443943321 /nfs/dbraw/zinc/94/33/21/443943321.db2.gz OOYJKUHVLOSJJI-NVXWUHKLSA-N 2 2 346.475 1.817 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277229214 443943324 /nfs/dbraw/zinc/94/33/24/443943324.db2.gz OOYJKUHVLOSJJI-NVXWUHKLSA-N 2 2 346.475 1.817 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOc3cc(O)ccc3C2)CC1 ZINC000285391438 443967733 /nfs/dbraw/zinc/96/77/33/443967733.db2.gz DOSTUJRJNXQTNE-AWEZNQCLSA-N 2 2 333.432 1.139 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOc3cc(O)ccc3C2)CC1 ZINC000285391438 443967735 /nfs/dbraw/zinc/96/77/35/443967735.db2.gz DOSTUJRJNXQTNE-AWEZNQCLSA-N 2 2 333.432 1.139 20 0 EDADLP Cc1cnn(C)c1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000285397704 443969624 /nfs/dbraw/zinc/96/96/24/443969624.db2.gz IAWAOXWLXSUYJE-UHFFFAOYSA-N 2 2 344.459 1.729 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000299173640 443974734 /nfs/dbraw/zinc/97/47/34/443974734.db2.gz ZDRUXBRKUARUTI-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000299173640 443974737 /nfs/dbraw/zinc/97/47/37/443974737.db2.gz ZDRUXBRKUARUTI-FUHWJXTLSA-N 2 2 331.460 1.488 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285456465 443991079 /nfs/dbraw/zinc/99/10/79/443991079.db2.gz KXVUEWMIQCPFQW-CQSZACIVSA-N 2 2 345.447 1.105 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285456465 443991085 /nfs/dbraw/zinc/99/10/85/443991085.db2.gz KXVUEWMIQCPFQW-CQSZACIVSA-N 2 2 345.447 1.105 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285474007 443998192 /nfs/dbraw/zinc/99/81/92/443998192.db2.gz HRPPHKZSFLPHQN-FQEVSTJZSA-N 2 2 345.487 1.737 20 0 EDADLP CCOCCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285474007 443998196 /nfs/dbraw/zinc/99/81/96/443998196.db2.gz HRPPHKZSFLPHQN-FQEVSTJZSA-N 2 2 345.487 1.737 20 0 EDADLP CCOCCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285474007 443998200 /nfs/dbraw/zinc/99/82/00/443998200.db2.gz HRPPHKZSFLPHQN-FQEVSTJZSA-N 2 2 345.487 1.737 20 0 EDADLP CCOCCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285474007 443998203 /nfs/dbraw/zinc/99/82/03/443998203.db2.gz HRPPHKZSFLPHQN-FQEVSTJZSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299355610 444025908 /nfs/dbraw/zinc/02/59/08/444025908.db2.gz IUYRNHZDWUVXKD-WMZOPIPTSA-N 2 2 348.491 1.699 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000561178450 321035267 /nfs/dbraw/zinc/03/52/67/321035267.db2.gz GIUOXGGYFCJTTA-FGTMMUONSA-N 2 2 330.476 1.682 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000561178450 321035269 /nfs/dbraw/zinc/03/52/69/321035269.db2.gz GIUOXGGYFCJTTA-FGTMMUONSA-N 2 2 330.476 1.682 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000561338436 321039722 /nfs/dbraw/zinc/03/97/22/321039722.db2.gz LFLRESMSRSWICD-HNNXBMFYSA-N 2 2 334.464 1.451 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000562817865 321078915 /nfs/dbraw/zinc/07/89/15/321078915.db2.gz NFBCIJARTPHWDR-OAHLLOKOSA-N 2 2 329.448 1.390 20 0 EDADLP CC(C)c1noc(CCC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000562990691 321085767 /nfs/dbraw/zinc/08/57/67/321085767.db2.gz ZSUMYGDQVUGTAF-ZNMIVQPWSA-N 2 2 340.468 1.185 20 0 EDADLP CC(C)c1noc(CCC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000562990691 321085768 /nfs/dbraw/zinc/08/57/68/321085768.db2.gz ZSUMYGDQVUGTAF-ZNMIVQPWSA-N 2 2 340.468 1.185 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CC1 ZINC000564444313 321131885 /nfs/dbraw/zinc/13/18/85/321131885.db2.gz NTKIYYJCFFOLIB-MSOLQXFVSA-N 2 2 347.459 1.349 20 0 EDADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000289264323 444091264 /nfs/dbraw/zinc/09/12/64/444091264.db2.gz OPOXFHSVXIXCAX-CABCVRRESA-N 2 2 335.423 1.751 20 0 EDADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000289264323 444091266 /nfs/dbraw/zinc/09/12/66/444091266.db2.gz OPOXFHSVXIXCAX-CABCVRRESA-N 2 2 335.423 1.751 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000565186735 321175037 /nfs/dbraw/zinc/17/50/37/321175037.db2.gz BFTMNEDCDWGHHQ-AWEZNQCLSA-N 2 2 327.432 1.764 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000565186735 321175038 /nfs/dbraw/zinc/17/50/38/321175038.db2.gz BFTMNEDCDWGHHQ-AWEZNQCLSA-N 2 2 327.432 1.764 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]1 ZINC000566057780 321212823 /nfs/dbraw/zinc/21/28/23/321212823.db2.gz RYWAARIETAHRNG-RDJZCZTQSA-N 2 2 332.448 1.063 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000566416976 321229265 /nfs/dbraw/zinc/22/92/65/321229265.db2.gz LYCJTICRZPGREE-APWZRJJASA-N 2 2 336.476 1.944 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000566416976 321229266 /nfs/dbraw/zinc/22/92/66/321229266.db2.gz LYCJTICRZPGREE-APWZRJJASA-N 2 2 336.476 1.944 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000566416976 321229267 /nfs/dbraw/zinc/22/92/67/321229267.db2.gz LYCJTICRZPGREE-APWZRJJASA-N 2 2 336.476 1.944 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000566416976 321229268 /nfs/dbraw/zinc/22/92/68/321229268.db2.gz LYCJTICRZPGREE-APWZRJJASA-N 2 2 336.476 1.944 20 0 EDADLP c1c[nH+]c(CN2CC[NH+](C[C@@H]3CN(c4ccccc4)CCO3)CC2)[nH]1 ZINC000566416685 321229310 /nfs/dbraw/zinc/22/93/10/321229310.db2.gz JHEBWMHBSHNAPC-GOSISDBHSA-N 2 2 341.459 1.433 20 0 EDADLP [NH3+]CCCCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000567585208 321247110 /nfs/dbraw/zinc/24/71/10/321247110.db2.gz UYUBUMTUHBVXNF-UHFFFAOYSA-N 2 2 335.448 1.143 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000567696836 321253806 /nfs/dbraw/zinc/25/38/06/321253806.db2.gz IYJXFQUPRGIDDB-WQJJYIMCSA-N 2 2 334.460 1.611 20 0 EDADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CCn3cc[nH+]c3)cc21 ZINC000299623703 444098773 /nfs/dbraw/zinc/09/87/73/444098773.db2.gz FKLCTICNFMABPM-UHFFFAOYSA-N 2 2 343.387 1.381 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000568288442 321286140 /nfs/dbraw/zinc/28/61/40/321286140.db2.gz PXFUMKKNQNQSKF-UHFFFAOYSA-N 2 2 344.459 1.962 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000568777715 321306503 /nfs/dbraw/zinc/30/65/03/321306503.db2.gz FXBUIJGIZKYMGA-PKOBYXMFSA-N 2 2 345.487 1.388 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000568777715 321306504 /nfs/dbraw/zinc/30/65/04/321306504.db2.gz FXBUIJGIZKYMGA-PKOBYXMFSA-N 2 2 345.487 1.388 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000568987681 321313324 /nfs/dbraw/zinc/31/33/24/321313324.db2.gz MCVUPXPBNWDVTI-SECBINFHSA-N 2 2 345.216 1.066 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000570543351 321346863 /nfs/dbraw/zinc/34/68/63/321346863.db2.gz UUVHSPVSVXUXJD-INIZCTEOSA-N 2 2 345.447 1.029 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000570543351 321346864 /nfs/dbraw/zinc/34/68/64/321346864.db2.gz UUVHSPVSVXUXJD-INIZCTEOSA-N 2 2 345.447 1.029 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000571035478 321368909 /nfs/dbraw/zinc/36/89/09/321368909.db2.gz RRHRKIMXPZMRNF-HZPDHXFCSA-N 2 2 348.495 1.120 20 0 EDADLP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289359021 444117129 /nfs/dbraw/zinc/11/71/29/444117129.db2.gz NXPWXIRFKHKFRX-HZPDHXFCSA-N 2 2 337.464 1.634 20 0 EDADLP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289359021 444117131 /nfs/dbraw/zinc/11/71/31/444117131.db2.gz NXPWXIRFKHKFRX-HZPDHXFCSA-N 2 2 337.464 1.634 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289416870 444137239 /nfs/dbraw/zinc/13/72/39/444137239.db2.gz UHCZCBAZKXCTPW-GJZGRUSLSA-N 2 2 334.464 1.858 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289416870 444137245 /nfs/dbraw/zinc/13/72/45/444137245.db2.gz UHCZCBAZKXCTPW-GJZGRUSLSA-N 2 2 334.464 1.858 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C1CC1 ZINC000289554357 444171112 /nfs/dbraw/zinc/17/11/12/444171112.db2.gz PAWPBUPIBNZYRV-NSISKUIASA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+](C)C1CC1 ZINC000289554357 444171114 /nfs/dbraw/zinc/17/11/14/444171114.db2.gz PAWPBUPIBNZYRV-NSISKUIASA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289554357 444171116 /nfs/dbraw/zinc/17/11/16/444171116.db2.gz PAWPBUPIBNZYRV-NSISKUIASA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289554357 444171118 /nfs/dbraw/zinc/17/11/18/444171118.db2.gz PAWPBUPIBNZYRV-NSISKUIASA-N 3 2 331.504 1.942 20 0 EDADLP O=C(CC[NH2+][C@H](CO)C1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000289482482 444155436 /nfs/dbraw/zinc/15/54/36/444155436.db2.gz IXXNYEPSHSQJSK-QGZVFWFLSA-N 2 2 346.475 1.261 20 0 EDADLP CN(CC[N@H+](C)[C@H]1CCc2ccccc2NC1=O)C1CC[NH+](C)CC1 ZINC000299734008 444127933 /nfs/dbraw/zinc/12/79/33/444127933.db2.gz ZFUZPVUAZDDRRF-IBGZPJMESA-N 2 2 344.503 1.898 20 0 EDADLP CN(CC[N@@H+](C)[C@H]1CCc2ccccc2NC1=O)C1CC[NH+](C)CC1 ZINC000299734008 444127939 /nfs/dbraw/zinc/12/79/39/444127939.db2.gz ZFUZPVUAZDDRRF-IBGZPJMESA-N 2 2 344.503 1.898 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCc2ccccc2NC1=O ZINC000299734008 444127942 /nfs/dbraw/zinc/12/79/42/444127942.db2.gz ZFUZPVUAZDDRRF-IBGZPJMESA-N 2 2 344.503 1.898 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCc2ccccc2NC1=O ZINC000299734008 444127946 /nfs/dbraw/zinc/12/79/46/444127946.db2.gz ZFUZPVUAZDDRRF-IBGZPJMESA-N 2 2 344.503 1.898 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)nc1 ZINC000289883020 444215074 /nfs/dbraw/zinc/21/50/74/444215074.db2.gz SRCKVJZHUWEWIJ-AAEUAGOBSA-N 2 2 327.270 1.741 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Br)nc1 ZINC000289883020 444215075 /nfs/dbraw/zinc/21/50/75/444215075.db2.gz SRCKVJZHUWEWIJ-AAEUAGOBSA-N 2 2 327.270 1.741 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000575350848 321522981 /nfs/dbraw/zinc/52/29/81/321522981.db2.gz JJOLPLWCULWQHR-UHFFFAOYSA-N 2 2 328.372 1.894 20 0 EDADLP CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000575905184 321533502 /nfs/dbraw/zinc/53/35/02/321533502.db2.gz KANJEMGLZAJGBO-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000301799720 444191028 /nfs/dbraw/zinc/19/10/28/444191028.db2.gz VEYHULDTENHOLP-RDJZCZTQSA-N 2 2 345.491 1.891 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000301799720 444191029 /nfs/dbraw/zinc/19/10/29/444191029.db2.gz VEYHULDTENHOLP-RDJZCZTQSA-N 2 2 345.491 1.891 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000301799720 444191032 /nfs/dbraw/zinc/19/10/32/444191032.db2.gz VEYHULDTENHOLP-RDJZCZTQSA-N 2 2 345.491 1.891 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000301799720 444191034 /nfs/dbraw/zinc/19/10/34/444191034.db2.gz VEYHULDTENHOLP-RDJZCZTQSA-N 2 2 345.491 1.891 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302099674 444204060 /nfs/dbraw/zinc/20/40/60/444204060.db2.gz KXPHFXYHTHLGHF-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302099674 444204062 /nfs/dbraw/zinc/20/40/62/444204062.db2.gz KXPHFXYHTHLGHF-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP CC(C)[C@H](CCO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000304414064 444249266 /nfs/dbraw/zinc/24/92/66/444249266.db2.gz VTFPJUMVRYSQSI-KRWDZBQOSA-N 2 2 340.512 1.251 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000290227144 444256697 /nfs/dbraw/zinc/25/66/97/444256697.db2.gz RJWQDHUYDHAFRU-HFTRVMKXSA-N 2 2 346.475 1.557 20 0 EDADLP OCC[NH+]1CCC(CNc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000302885316 444229714 /nfs/dbraw/zinc/22/97/14/444229714.db2.gz KRZMPQMPWNUOPU-UHFFFAOYSA-N 2 2 337.493 1.146 20 0 EDADLP OCC[NH+]1CCC(CNc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000302885316 444229715 /nfs/dbraw/zinc/22/97/15/444229715.db2.gz KRZMPQMPWNUOPU-UHFFFAOYSA-N 2 2 337.493 1.146 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000303397152 444237235 /nfs/dbraw/zinc/23/72/35/444237235.db2.gz INANFKSARADLML-DLBZAZTESA-N 2 2 338.496 1.148 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C[C@H](C)O)C(C)C)CC2)c1 ZINC000303983241 444239046 /nfs/dbraw/zinc/23/90/46/444239046.db2.gz GYMAEZWWJXZOGE-SFHVURJKSA-N 2 2 347.503 1.730 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C[C@H](C)O)C(C)C)CC2)c1 ZINC000303983241 444239048 /nfs/dbraw/zinc/23/90/48/444239048.db2.gz GYMAEZWWJXZOGE-SFHVURJKSA-N 2 2 347.503 1.730 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000577306483 321641309 /nfs/dbraw/zinc/64/13/09/321641309.db2.gz CILOFNYDZXUTFY-CQSZACIVSA-N 2 2 331.420 1.090 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000305832997 444282700 /nfs/dbraw/zinc/28/27/00/444282700.db2.gz FBJJRIIFFGGYGU-MTQWCTHYSA-N 3 2 331.504 1.799 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000305832997 444282701 /nfs/dbraw/zinc/28/27/01/444282701.db2.gz FBJJRIIFFGGYGU-MTQWCTHYSA-N 3 2 331.504 1.799 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328765327 444344676 /nfs/dbraw/zinc/34/46/76/444344676.db2.gz PBGMVECSHSQFLW-KRWDZBQOSA-N 2 2 343.475 1.384 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328765327 444344681 /nfs/dbraw/zinc/34/46/81/444344681.db2.gz PBGMVECSHSQFLW-KRWDZBQOSA-N 2 2 343.475 1.384 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(=O)OC ZINC000324164522 444351304 /nfs/dbraw/zinc/35/13/04/444351304.db2.gz DAEKEHMHMQNDIG-MPTYRVRUSA-N 2 2 339.480 1.154 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)C(=O)OC ZINC000324164522 444351307 /nfs/dbraw/zinc/35/13/07/444351307.db2.gz DAEKEHMHMQNDIG-MPTYRVRUSA-N 2 2 339.480 1.154 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)s1 ZINC000578617458 321802865 /nfs/dbraw/zinc/80/28/65/321802865.db2.gz VOZHNANNCSSIBC-GWCFXTLKSA-N 2 2 331.507 1.231 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCO[C@H](C)C1 ZINC000298078501 444408449 /nfs/dbraw/zinc/40/84/49/444408449.db2.gz DNSPFEKZTUDNLK-IAGOWNOFSA-N 2 2 345.487 1.876 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000578848259 321839612 /nfs/dbraw/zinc/83/96/12/321839612.db2.gz BBWQSWSLMDVSJY-MSOLQXFVSA-N 2 2 346.475 1.420 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000331724938 444484434 /nfs/dbraw/zinc/48/44/34/444484434.db2.gz LWMPOFUQZDKHBE-RDBSUJKOSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC[N@H+]1C ZINC000331724938 444484436 /nfs/dbraw/zinc/48/44/36/444484436.db2.gz LWMPOFUQZDKHBE-RDBSUJKOSA-N 2 2 333.436 1.062 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000580556472 322066987 /nfs/dbraw/zinc/06/69/87/322066987.db2.gz SBIPJEUPKFIKJC-QGZVFWFLSA-N 2 2 347.507 1.851 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCC1 ZINC000580703614 322084366 /nfs/dbraw/zinc/08/43/66/322084366.db2.gz AQEHVCCJMRUWAR-UHFFFAOYSA-N 2 2 332.448 1.199 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCCCOC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000580703644 322084420 /nfs/dbraw/zinc/08/44/20/322084420.db2.gz CZACZXRBGYONIZ-INIZCTEOSA-N 2 2 340.512 1.790 20 0 EDADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580960276 322118183 /nfs/dbraw/zinc/11/81/83/322118183.db2.gz JCBYSLOTOPPMBF-HUUCEWRRSA-N 2 2 339.443 1.898 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2ccc(F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000581309318 322162046 /nfs/dbraw/zinc/16/20/46/322162046.db2.gz KMFDMYSJOJDHSE-NSHDSACASA-N 2 2 344.228 1.232 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2ccc(F)c(Br)c2)[C@@H](C[NH3+])C1 ZINC000581309318 322162049 /nfs/dbraw/zinc/16/20/49/322162049.db2.gz KMFDMYSJOJDHSE-NSHDSACASA-N 2 2 344.228 1.232 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000581407893 322173050 /nfs/dbraw/zinc/17/30/50/322173050.db2.gz OZAOEPIOYRYUHV-AEFFLSMTSA-N 2 2 334.460 1.611 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000581407893 322173052 /nfs/dbraw/zinc/17/30/52/322173052.db2.gz OZAOEPIOYRYUHV-AEFFLSMTSA-N 2 2 334.460 1.611 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1)C2 ZINC000581636658 322201766 /nfs/dbraw/zinc/20/17/66/322201766.db2.gz KJTCUKIYGGQZEQ-SJORKVTESA-N 2 2 348.491 1.617 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000581874326 322226477 /nfs/dbraw/zinc/22/64/77/322226477.db2.gz HNNVNYSZJLLANQ-KRWDZBQOSA-N 2 2 331.464 1.426 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329248367 444512144 /nfs/dbraw/zinc/51/21/44/444512144.db2.gz WPUJTTJNULHLQM-KZNAEPCWSA-N 2 2 345.443 1.705 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000329248367 444512145 /nfs/dbraw/zinc/51/21/45/444512145.db2.gz WPUJTTJNULHLQM-KZNAEPCWSA-N 2 2 345.443 1.705 20 0 EDADLP O[C@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)C[NH+]1CCCC1 ZINC000338193911 444557650 /nfs/dbraw/zinc/55/76/50/444557650.db2.gz KKGZNOSPFBCVDR-RTBURBONSA-N 2 2 326.444 1.807 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000329405850 444566078 /nfs/dbraw/zinc/56/60/78/444566078.db2.gz AUBHGMXWDAWBPQ-MJBXVCDLSA-N 2 2 343.518 1.441 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000329405850 444566083 /nfs/dbraw/zinc/56/60/83/444566083.db2.gz AUBHGMXWDAWBPQ-MJBXVCDLSA-N 2 2 343.518 1.441 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000342254379 444591596 /nfs/dbraw/zinc/59/15/96/444591596.db2.gz BTMYLAHCZBKSCJ-ZHALLVOQSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000342254379 444591601 /nfs/dbraw/zinc/59/16/01/444591601.db2.gz BTMYLAHCZBKSCJ-ZHALLVOQSA-N 2 2 349.519 1.963 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@@H](O)C(C)(C)C ZINC000343800391 444600182 /nfs/dbraw/zinc/60/01/82/444600182.db2.gz IBOAAZSFYIEJCI-SOUVJXGZSA-N 2 2 326.460 1.671 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000343800391 444600186 /nfs/dbraw/zinc/60/01/86/444600186.db2.gz IBOAAZSFYIEJCI-SOUVJXGZSA-N 2 2 326.460 1.671 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1.105 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000348515957 445310507 /nfs/dbraw/zinc/31/05/07/445310507.db2.gz OXRZUFDMVQINCF-YJBOKZPZSA-N 2 2 327.432 1.618 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2ccc(C(F)(F)F)n2)CC1 ZINC000354512853 445272171 /nfs/dbraw/zinc/27/21/71/445272171.db2.gz OQSQDZBFYOHPRJ-UHFFFAOYSA-N 2 2 347.385 1.044 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348115366 445276021 /nfs/dbraw/zinc/27/60/21/445276021.db2.gz JACWUWABGQZQHT-CVEARBPZSA-N 3 2 334.443 1.469 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348115366 445276025 /nfs/dbraw/zinc/27/60/25/445276025.db2.gz JACWUWABGQZQHT-CVEARBPZSA-N 3 2 334.443 1.469 20 0 EDADLP COc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(F)cn1 ZINC000348120838 445278606 /nfs/dbraw/zinc/27/86/06/445278606.db2.gz ITHUTGCBUZCICP-KBPBESRZSA-N 2 2 325.428 1.973 20 0 EDADLP C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCO1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348158394 445294183 /nfs/dbraw/zinc/29/41/83/445294183.db2.gz HLLRITCXBPUMQW-ZLIFDBKOSA-N 2 2 344.415 1.533 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000348448751 445294676 /nfs/dbraw/zinc/29/46/76/445294676.db2.gz XCUHAHVOWSRPIF-HOTGVXAUSA-N 2 2 332.448 1.673 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000348448751 445294679 /nfs/dbraw/zinc/29/46/79/445294679.db2.gz XCUHAHVOWSRPIF-HOTGVXAUSA-N 2 2 332.448 1.673 20 0 EDADLP COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000348253896 445328955 /nfs/dbraw/zinc/32/89/55/445328955.db2.gz AOXCMTQJKSLZTM-GXTWGEPZSA-N 2 2 342.399 1.899 20 0 EDADLP COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000348253896 445328957 /nfs/dbraw/zinc/32/89/57/445328957.db2.gz AOXCMTQJKSLZTM-GXTWGEPZSA-N 2 2 342.399 1.899 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000348287736 445339516 /nfs/dbraw/zinc/33/95/16/445339516.db2.gz VWZIHTDADUHMGJ-IPMKNSEASA-N 2 2 349.519 1.820 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000348287736 445339518 /nfs/dbraw/zinc/33/95/18/445339518.db2.gz VWZIHTDADUHMGJ-IPMKNSEASA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000348287736 445339520 /nfs/dbraw/zinc/33/95/20/445339520.db2.gz VWZIHTDADUHMGJ-IPMKNSEASA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000348287736 445339521 /nfs/dbraw/zinc/33/95/21/445339521.db2.gz VWZIHTDADUHMGJ-IPMKNSEASA-N 2 2 349.519 1.820 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000351862848 445346771 /nfs/dbraw/zinc/34/67/71/445346771.db2.gz RCPJFYBCGJDIPN-SOUVJXGZSA-N 2 2 344.459 1.810 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000351862848 445346774 /nfs/dbraw/zinc/34/67/74/445346774.db2.gz RCPJFYBCGJDIPN-SOUVJXGZSA-N 2 2 344.459 1.810 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]21 ZINC000351887493 445356848 /nfs/dbraw/zinc/35/68/48/445356848.db2.gz GFQYQMLELPERLZ-WOJBJXKFSA-N 2 2 344.503 1.214 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]21 ZINC000351887493 445356853 /nfs/dbraw/zinc/35/68/53/445356853.db2.gz GFQYQMLELPERLZ-WOJBJXKFSA-N 2 2 344.503 1.214 20 0 EDADLP CN1CCO[C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]21 ZINC000351887493 445356856 /nfs/dbraw/zinc/35/68/56/445356856.db2.gz GFQYQMLELPERLZ-WOJBJXKFSA-N 2 2 344.503 1.214 20 0 EDADLP CN1CCO[C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]21 ZINC000351887493 445356859 /nfs/dbraw/zinc/35/68/59/445356859.db2.gz GFQYQMLELPERLZ-WOJBJXKFSA-N 2 2 344.503 1.214 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000362398070 445359670 /nfs/dbraw/zinc/35/96/70/445359670.db2.gz QFGPIVRYZJHAEZ-NVXWUHKLSA-N 2 2 331.460 1.380 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000362398070 445359674 /nfs/dbraw/zinc/35/96/74/445359674.db2.gz QFGPIVRYZJHAEZ-NVXWUHKLSA-N 2 2 331.460 1.380 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000362398070 445359677 /nfs/dbraw/zinc/35/96/77/445359677.db2.gz QFGPIVRYZJHAEZ-NVXWUHKLSA-N 2 2 331.460 1.380 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000362398070 445359681 /nfs/dbraw/zinc/35/96/81/445359681.db2.gz QFGPIVRYZJHAEZ-NVXWUHKLSA-N 2 2 331.460 1.380 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357082429 445414880 /nfs/dbraw/zinc/41/48/80/445414880.db2.gz WXQDGYHULBRQMZ-HKUYNNGSSA-N 2 2 345.487 1.769 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357082429 445414883 /nfs/dbraw/zinc/41/48/83/445414883.db2.gz WXQDGYHULBRQMZ-HKUYNNGSSA-N 2 2 345.487 1.769 20 0 EDADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1C[C@H](F)C[NH+]1Cc1cc(C)no1 ZINC000351981419 445415015 /nfs/dbraw/zinc/41/50/15/445415015.db2.gz KNSVSWCPQTYBMV-LSDHHAIUSA-N 2 2 340.443 1.696 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1C[C@H](F)C[NH+]1Cc1cc(C)no1 ZINC000351981419 445415021 /nfs/dbraw/zinc/41/50/21/445415021.db2.gz KNSVSWCPQTYBMV-LSDHHAIUSA-N 2 2 340.443 1.696 20 0 EDADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000351981419 445415026 /nfs/dbraw/zinc/41/50/26/445415026.db2.gz KNSVSWCPQTYBMV-LSDHHAIUSA-N 2 2 340.443 1.696 20 0 EDADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000351981419 445415030 /nfs/dbraw/zinc/41/50/30/445415030.db2.gz KNSVSWCPQTYBMV-LSDHHAIUSA-N 2 2 340.443 1.696 20 0 EDADLP Cc1cc(C[NH+]2C[C@H](F)C[C@H]2CN(C)C(=O)C[N@@H+](C)C(C)C)on1 ZINC000351980385 445415573 /nfs/dbraw/zinc/41/55/73/445415573.db2.gz DNXHTPMKSCTUCS-CABCVRRESA-N 2 2 340.443 1.694 20 0 EDADLP Cc1cc(C[NH+]2C[C@H](F)C[C@H]2CN(C)C(=O)C[N@H+](C)C(C)C)on1 ZINC000351980385 445415576 /nfs/dbraw/zinc/41/55/76/445415576.db2.gz DNXHTPMKSCTUCS-CABCVRRESA-N 2 2 340.443 1.694 20 0 EDADLP Cc1cc(C[N@H+]2C[C@H](F)C[C@H]2CN(C)C(=O)C[NH+](C)C(C)C)on1 ZINC000351980385 445415578 /nfs/dbraw/zinc/41/55/78/445415578.db2.gz DNXHTPMKSCTUCS-CABCVRRESA-N 2 2 340.443 1.694 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@H](F)C[C@H]2CN(C)C(=O)C[NH+](C)C(C)C)on1 ZINC000351980385 445415580 /nfs/dbraw/zinc/41/55/80/445415580.db2.gz DNXHTPMKSCTUCS-CABCVRRESA-N 2 2 340.443 1.694 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000348858150 445418315 /nfs/dbraw/zinc/41/83/15/445418315.db2.gz DRMGTZUVFHKVSL-QFBILLFUSA-N 2 2 342.443 1.873 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000348858150 445418317 /nfs/dbraw/zinc/41/83/17/445418317.db2.gz DRMGTZUVFHKVSL-QFBILLFUSA-N 2 2 342.443 1.873 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000357093987 445424963 /nfs/dbraw/zinc/42/49/63/445424963.db2.gz XLIPYYOSBXZYLF-ZIAGYGMSSA-N 2 2 337.851 1.376 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000357093987 445424966 /nfs/dbraw/zinc/42/49/66/445424966.db2.gz XLIPYYOSBXZYLF-ZIAGYGMSSA-N 2 2 337.851 1.376 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)[nH]1 ZINC000354854450 445427513 /nfs/dbraw/zinc/42/75/13/445427513.db2.gz PTUWSBJMPFREGS-TZMCWYRMSA-N 2 2 349.410 1.237 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362468869 445397998 /nfs/dbraw/zinc/39/79/98/445397998.db2.gz LJUNHMVJUXACTR-IRXDYDNUSA-N 2 2 349.479 1.476 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362468869 445398003 /nfs/dbraw/zinc/39/80/03/445398003.db2.gz LJUNHMVJUXACTR-IRXDYDNUSA-N 2 2 349.479 1.476 20 0 EDADLP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000359734548 445398171 /nfs/dbraw/zinc/39/81/71/445398171.db2.gz JXRCVOORALSEKP-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000359734548 445398173 /nfs/dbraw/zinc/39/81/73/445398173.db2.gz JXRCVOORALSEKP-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP Cc1nc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000359910453 445484674 /nfs/dbraw/zinc/48/46/74/445484674.db2.gz ZVQAKDLTAMGBGU-IAGOWNOFSA-N 2 2 338.459 1.814 20 0 EDADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000355075052 445441919 /nfs/dbraw/zinc/44/19/19/445441919.db2.gz TXAWLLFBJPPVCC-WBVHZDCISA-N 2 2 340.512 1.467 20 0 EDADLP CO[C@@H](CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000355075052 445441924 /nfs/dbraw/zinc/44/19/24/445441924.db2.gz TXAWLLFBJPPVCC-WBVHZDCISA-N 2 2 340.512 1.467 20 0 EDADLP COCC[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355109903 445444255 /nfs/dbraw/zinc/44/42/55/445444255.db2.gz PXGMZNYSIATPMA-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP COCC[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355109903 445444258 /nfs/dbraw/zinc/44/42/58/445444258.db2.gz PXGMZNYSIATPMA-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000362700202 445507859 /nfs/dbraw/zinc/50/78/59/445507859.db2.gz YJSCUQMQUKXOLP-CQSZACIVSA-N 2 2 339.386 1.684 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000362700202 445507860 /nfs/dbraw/zinc/50/78/60/445507860.db2.gz YJSCUQMQUKXOLP-CQSZACIVSA-N 2 2 339.386 1.684 20 0 EDADLP Cc1ccc(C)n1[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362711155 445512109 /nfs/dbraw/zinc/51/21/09/445512109.db2.gz OAAASFUGTKDQAE-DLBZAZTESA-N 2 2 332.492 1.951 20 0 EDADLP Cc1ccc(C)n1[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362711155 445512110 /nfs/dbraw/zinc/51/21/10/445512110.db2.gz OAAASFUGTKDQAE-DLBZAZTESA-N 2 2 332.492 1.951 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000355884681 445518730 /nfs/dbraw/zinc/51/87/30/445518730.db2.gz SXDBPXSOFDVMBZ-KRWDZBQOSA-N 2 2 334.464 1.623 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000355884681 445518732 /nfs/dbraw/zinc/51/87/32/445518732.db2.gz SXDBPXSOFDVMBZ-KRWDZBQOSA-N 2 2 334.464 1.623 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000362732420 445522863 /nfs/dbraw/zinc/52/28/63/445522863.db2.gz BLISRYGDMFUHKG-SJLPKXTDSA-N 2 2 344.459 1.289 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000362732420 445522867 /nfs/dbraw/zinc/52/28/67/445522867.db2.gz BLISRYGDMFUHKG-SJLPKXTDSA-N 2 2 344.459 1.289 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000359925668 445491751 /nfs/dbraw/zinc/49/17/51/445491751.db2.gz SNBTUCHDOIATSS-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000359925668 445491755 /nfs/dbraw/zinc/49/17/55/445491755.db2.gz SNBTUCHDOIATSS-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000359925668 445491759 /nfs/dbraw/zinc/49/17/59/445491759.db2.gz SNBTUCHDOIATSS-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000359925668 445491762 /nfs/dbraw/zinc/49/17/62/445491762.db2.gz SNBTUCHDOIATSS-HOTGVXAUSA-N 2 2 328.501 1.517 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c2ccccc2n1 ZINC000362836330 445573405 /nfs/dbraw/zinc/57/34/05/445573405.db2.gz GAMRGHNZFQZKEM-KRWDZBQOSA-N 2 2 338.455 1.939 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c2ccccc2n1 ZINC000362836330 445573406 /nfs/dbraw/zinc/57/34/06/445573406.db2.gz GAMRGHNZFQZKEM-KRWDZBQOSA-N 2 2 338.455 1.939 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362836010 445573503 /nfs/dbraw/zinc/57/35/03/445573503.db2.gz CQOHIFSIMPBVMY-MRXNPFEDSA-N 2 2 344.459 1.138 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362836010 445573504 /nfs/dbraw/zinc/57/35/04/445573504.db2.gz CQOHIFSIMPBVMY-MRXNPFEDSA-N 2 2 344.459 1.138 20 0 EDADLP CN1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)C2)CC1 ZINC000362846920 445579210 /nfs/dbraw/zinc/57/92/10/445579210.db2.gz MLSDGZPWCPVVAP-IAGOWNOFSA-N 2 2 345.491 1.247 20 0 EDADLP CN(C)c1ncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000349419342 445583362 /nfs/dbraw/zinc/58/33/62/445583362.db2.gz PDOAXKQURYKMSH-XYPWUTKMSA-N 2 2 349.548 1.952 20 0 EDADLP CN(C)c1ncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000349419342 445583368 /nfs/dbraw/zinc/58/33/68/445583368.db2.gz PDOAXKQURYKMSH-XYPWUTKMSA-N 2 2 349.548 1.952 20 0 EDADLP CN(C)c1ncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000349419342 445583372 /nfs/dbraw/zinc/58/33/72/445583372.db2.gz PDOAXKQURYKMSH-XYPWUTKMSA-N 2 2 349.548 1.952 20 0 EDADLP CN(C)c1ncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000349419342 445583376 /nfs/dbraw/zinc/58/33/76/445583376.db2.gz PDOAXKQURYKMSH-XYPWUTKMSA-N 2 2 349.548 1.952 20 0 EDADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000356038339 445583747 /nfs/dbraw/zinc/58/37/47/445583747.db2.gz SCKUZOFWLSWTKR-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000356038339 445583748 /nfs/dbraw/zinc/58/37/48/445583748.db2.gz SCKUZOFWLSWTKR-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355942302 445538560 /nfs/dbraw/zinc/53/85/60/445538560.db2.gz QPDPQKKLKBDHDO-HOTGVXAUSA-N 2 2 332.448 1.330 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355942302 445538564 /nfs/dbraw/zinc/53/85/64/445538564.db2.gz QPDPQKKLKBDHDO-HOTGVXAUSA-N 2 2 332.448 1.330 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c[nH+]1 ZINC000353446843 445606458 /nfs/dbraw/zinc/60/64/58/445606458.db2.gz JLPAJPVGNDBGFP-GOSISDBHSA-N 2 2 331.460 1.893 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c[nH+]1 ZINC000353446843 445606461 /nfs/dbraw/zinc/60/64/61/445606461.db2.gz JLPAJPVGNDBGFP-GOSISDBHSA-N 2 2 331.460 1.893 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353492973 445627521 /nfs/dbraw/zinc/62/75/21/445627521.db2.gz QREOWDNUBNZUDN-QRVBRYPASA-N 3 2 343.519 1.796 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353492973 445627524 /nfs/dbraw/zinc/62/75/24/445627524.db2.gz QREOWDNUBNZUDN-QRVBRYPASA-N 3 2 343.519 1.796 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353498616 445629608 /nfs/dbraw/zinc/62/96/08/445629608.db2.gz APNJOHHMVJVTMN-DZGCQCFKSA-N 2 2 333.432 1.779 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353498616 445629611 /nfs/dbraw/zinc/62/96/11/445629611.db2.gz APNJOHHMVJVTMN-DZGCQCFKSA-N 2 2 333.432 1.779 20 0 EDADLP COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000358549228 445645798 /nfs/dbraw/zinc/64/57/98/445645798.db2.gz VRUWJZRGXGOOIX-OAHLLOKOSA-N 2 2 338.448 1.470 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000363160695 445702170 /nfs/dbraw/zinc/70/21/70/445702170.db2.gz JOUGKDAKOIZFHW-GDBMZVCRSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000363160695 445702171 /nfs/dbraw/zinc/70/21/71/445702171.db2.gz JOUGKDAKOIZFHW-GDBMZVCRSA-N 2 2 338.496 1.269 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[S@](=O)[C@@H](C)C2)CC1 ZINC000353824872 445772024 /nfs/dbraw/zinc/77/20/24/445772024.db2.gz NUGVLDLECBWWPH-HJPURHCSSA-N 2 2 335.517 1.781 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[S@](=O)[C@@H](C)C2)CC1 ZINC000353824872 445772027 /nfs/dbraw/zinc/77/20/27/445772027.db2.gz NUGVLDLECBWWPH-HJPURHCSSA-N 2 2 335.517 1.781 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCSC1 ZINC000358711996 445735507 /nfs/dbraw/zinc/73/55/07/445735507.db2.gz QVAOVHOFRYZKKW-HNNXBMFYSA-N 2 2 342.553 1.797 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCSC1 ZINC000358711996 445735509 /nfs/dbraw/zinc/73/55/09/445735509.db2.gz QVAOVHOFRYZKKW-HNNXBMFYSA-N 2 2 342.553 1.797 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000349996414 445745555 /nfs/dbraw/zinc/74/55/55/445745555.db2.gz WFUYBLFHJBMNLY-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000349996414 445745556 /nfs/dbraw/zinc/74/55/56/445745556.db2.gz WFUYBLFHJBMNLY-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000349996414 445745558 /nfs/dbraw/zinc/74/55/58/445745558.db2.gz WFUYBLFHJBMNLY-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000349996414 445745562 /nfs/dbraw/zinc/74/55/62/445745562.db2.gz WFUYBLFHJBMNLY-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000350021009 445750867 /nfs/dbraw/zinc/75/08/67/445750867.db2.gz VWBYZLJCBYCQPK-YVSFHVDLSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000350021009 445750870 /nfs/dbraw/zinc/75/08/70/445750870.db2.gz VWBYZLJCBYCQPK-YVSFHVDLSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000350021009 445750871 /nfs/dbraw/zinc/75/08/71/445750871.db2.gz VWBYZLJCBYCQPK-YVSFHVDLSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000350021009 445750873 /nfs/dbraw/zinc/75/08/73/445750873.db2.gz VWBYZLJCBYCQPK-YVSFHVDLSA-N 2 2 338.496 1.079 20 0 EDADLP CC[N@H+](CCC1CC[NH+](Cc2nc(N)nc(N)n2)CC1)CC(C)C ZINC000358740015 445752732 /nfs/dbraw/zinc/75/27/32/445752732.db2.gz GVICNBPQHUPPEX-UHFFFAOYSA-N 2 2 335.500 1.277 20 0 EDADLP CC[N@@H+](CCC1CC[NH+](Cc2nc(N)nc(N)n2)CC1)CC(C)C ZINC000358740015 445752734 /nfs/dbraw/zinc/75/27/34/445752734.db2.gz GVICNBPQHUPPEX-UHFFFAOYSA-N 2 2 335.500 1.277 20 0 EDADLP CN1CC[NH+](C2(C(=O)NC[C@H](c3ccco3)[NH+](C)C)CCCC2)CC1 ZINC000363322627 445766134 /nfs/dbraw/zinc/76/61/34/445766134.db2.gz JZBTXTRBFPDQSC-MRXNPFEDSA-N 2 2 348.491 1.559 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C1(N2CC[NH+](C)CC2)CCCC1)c1ccco1 ZINC000363322627 445766137 /nfs/dbraw/zinc/76/61/37/445766137.db2.gz JZBTXTRBFPDQSC-MRXNPFEDSA-N 2 2 348.491 1.559 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000361575966 445827971 /nfs/dbraw/zinc/82/79/71/445827971.db2.gz FXCRCLUPFVVCFW-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000361575966 445827974 /nfs/dbraw/zinc/82/79/74/445827974.db2.gz FXCRCLUPFVVCFW-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000363490525 445828857 /nfs/dbraw/zinc/82/88/57/445828857.db2.gz REMWXQUDBAFVTM-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[N@H+](C)C1CC1 ZINC000361581943 445831779 /nfs/dbraw/zinc/83/17/79/445831779.db2.gz HYAGFLLXKXQAAE-ZDUSSCGKSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[N@@H+](C)C1CC1 ZINC000361581943 445831783 /nfs/dbraw/zinc/83/17/83/445831783.db2.gz HYAGFLLXKXQAAE-ZDUSSCGKSA-N 2 2 328.420 1.549 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)[NH+]1CCOCC1 ZINC000350549694 445848466 /nfs/dbraw/zinc/84/84/66/445848466.db2.gz CJWLUHPWYGSFMP-IAGOWNOFSA-N 2 2 340.512 1.325 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)[NH+]1CCOCC1 ZINC000350549694 445848473 /nfs/dbraw/zinc/84/84/73/445848473.db2.gz CJWLUHPWYGSFMP-IAGOWNOFSA-N 2 2 340.512 1.325 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)c1 ZINC000361711073 445891959 /nfs/dbraw/zinc/89/19/59/445891959.db2.gz OZJWYWQDLOLLPF-RDTXWAMCSA-N 2 2 335.423 1.602 20 0 EDADLP CCCCCC[C@H](O)C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372988568 445962432 /nfs/dbraw/zinc/96/24/32/445962432.db2.gz CMHAEMCZRCZBAE-ZWKOTPCHSA-N 2 2 327.513 1.266 20 0 EDADLP CCCCCC[C@H](O)C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372988568 445962441 /nfs/dbraw/zinc/96/24/41/445962441.db2.gz CMHAEMCZRCZBAE-ZWKOTPCHSA-N 2 2 327.513 1.266 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n(C)c1C ZINC000366020428 445965760 /nfs/dbraw/zinc/96/57/60/445965760.db2.gz AGZFMSUYINWBKW-BMGDILEWSA-N 2 2 349.475 1.804 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n(C)c1C ZINC000366020428 445965765 /nfs/dbraw/zinc/96/57/65/445965765.db2.gz AGZFMSUYINWBKW-BMGDILEWSA-N 2 2 349.475 1.804 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C[C@H]21 ZINC000365039415 445986616 /nfs/dbraw/zinc/98/66/16/445986616.db2.gz FJFCBGMORAQQKS-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C[C@H]21 ZINC000365039415 445986623 /nfs/dbraw/zinc/98/66/23/445986623.db2.gz FJFCBGMORAQQKS-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP COc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369250597 446023635 /nfs/dbraw/zinc/02/36/35/446023635.db2.gz PYZFGQOVQQWICF-MRXNPFEDSA-N 2 2 346.475 1.663 20 0 EDADLP COc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369250597 446023640 /nfs/dbraw/zinc/02/36/40/446023640.db2.gz PYZFGQOVQQWICF-MRXNPFEDSA-N 2 2 346.475 1.663 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369259410 446027921 /nfs/dbraw/zinc/02/79/21/446027921.db2.gz ZNRAYEMCUVQZQN-INIZCTEOSA-N 2 2 330.476 1.651 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369259410 446027927 /nfs/dbraw/zinc/02/79/27/446027927.db2.gz ZNRAYEMCUVQZQN-INIZCTEOSA-N 2 2 330.476 1.651 20 0 EDADLP COc1cc(OC)cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369268341 446034265 /nfs/dbraw/zinc/03/42/65/446034265.db2.gz SHEHQJSQUGKOFV-HNNXBMFYSA-N 2 2 347.459 1.602 20 0 EDADLP COc1cc(OC)cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369268341 446034271 /nfs/dbraw/zinc/03/42/71/446034271.db2.gz SHEHQJSQUGKOFV-HNNXBMFYSA-N 2 2 347.459 1.602 20 0 EDADLP COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000369276697 446042446 /nfs/dbraw/zinc/04/24/46/446042446.db2.gz IFESTRXFAQWEOT-MRXNPFEDSA-N 2 2 331.460 1.902 20 0 EDADLP COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C ZINC000369276697 446042452 /nfs/dbraw/zinc/04/24/52/446042452.db2.gz IFESTRXFAQWEOT-MRXNPFEDSA-N 2 2 331.460 1.902 20 0 EDADLP CCC(CC)[C@H](C(=O)N(C)CC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000359174008 446000525 /nfs/dbraw/zinc/00/05/25/446000525.db2.gz ZFOWIUHTHVMSKL-QGZVFWFLSA-N 2 2 325.497 1.678 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369218540 446000889 /nfs/dbraw/zinc/00/08/89/446000889.db2.gz JCPLGTLUINTTFY-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369218540 446000893 /nfs/dbraw/zinc/00/08/93/446000893.db2.gz JCPLGTLUINTTFY-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000369218540 446000897 /nfs/dbraw/zinc/00/08/97/446000897.db2.gz JCPLGTLUINTTFY-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000369218540 446000903 /nfs/dbraw/zinc/00/09/03/446000903.db2.gz JCPLGTLUINTTFY-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000366082231 446001651 /nfs/dbraw/zinc/00/16/51/446001651.db2.gz CJQWXIPZUNODSY-VYDXJSESSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCC[C@@H](C)C1 ZINC000366082231 446001657 /nfs/dbraw/zinc/00/16/57/446001657.db2.gz CJQWXIPZUNODSY-VYDXJSESSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000366082231 446001670 /nfs/dbraw/zinc/00/16/70/446001670.db2.gz CJQWXIPZUNODSY-VYDXJSESSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3COc4ccccc43)C2)CC1 ZINC000369292696 446053235 /nfs/dbraw/zinc/05/32/35/446053235.db2.gz IHIVCBYYPFONRI-YOEHRIQHSA-N 2 2 329.444 1.447 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3COc4ccccc43)C2)CC1 ZINC000369292696 446053239 /nfs/dbraw/zinc/05/32/39/446053239.db2.gz IHIVCBYYPFONRI-YOEHRIQHSA-N 2 2 329.444 1.447 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000583381592 326062466 /nfs/dbraw/zinc/06/24/66/326062466.db2.gz RIDVNZCJHLEXCP-IRXDYDNUSA-N 2 2 326.868 1.680 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000583381592 326062470 /nfs/dbraw/zinc/06/24/70/326062470.db2.gz RIDVNZCJHLEXCP-IRXDYDNUSA-N 2 2 326.868 1.680 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000583448443 326075973 /nfs/dbraw/zinc/07/59/73/326075973.db2.gz BIXUYQCDHIZSIS-UHFFFAOYSA-N 2 2 343.471 1.863 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000583801558 326142265 /nfs/dbraw/zinc/14/22/65/326142265.db2.gz SGDHVYUQMZKOMB-IAGOWNOFSA-N 2 2 332.448 1.111 20 0 EDADLP CCC[NH+]1CCC(N2CCN(C(=O)NCc3[nH+]ccn3C)CC2)CC1 ZINC000369308265 446062518 /nfs/dbraw/zinc/06/25/18/446062518.db2.gz RNTPDJUXGDEKAS-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000584142891 326206705 /nfs/dbraw/zinc/20/67/05/326206705.db2.gz YDQCUVJVJZSHTQ-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000584142891 326206708 /nfs/dbraw/zinc/20/67/08/326206708.db2.gz YDQCUVJVJZSHTQ-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000584142891 326206711 /nfs/dbraw/zinc/20/67/11/326206711.db2.gz YDQCUVJVJZSHTQ-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000584142891 326206712 /nfs/dbraw/zinc/20/67/12/326206712.db2.gz YDQCUVJVJZSHTQ-SJLPKXTDSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369317795 446068255 /nfs/dbraw/zinc/06/82/55/446068255.db2.gz ZOQFWKYHJAOJJN-GOEBONIOSA-N 2 2 340.431 1.645 20 0 EDADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369317795 446068262 /nfs/dbraw/zinc/06/82/62/446068262.db2.gz ZOQFWKYHJAOJJN-GOEBONIOSA-N 2 2 340.431 1.645 20 0 EDADLP COc1ncccc1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369343708 446087854 /nfs/dbraw/zinc/08/78/54/446087854.db2.gz NXTSPJCXQKQTEY-HNNXBMFYSA-N 2 2 347.463 1.722 20 0 EDADLP COc1ncccc1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369343708 446087861 /nfs/dbraw/zinc/08/78/61/446087861.db2.gz NXTSPJCXQKQTEY-HNNXBMFYSA-N 2 2 347.463 1.722 20 0 EDADLP C[N@H+](CCO)C1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000351464781 446071799 /nfs/dbraw/zinc/07/17/99/446071799.db2.gz XIDBEIJPMRXUCU-UHFFFAOYSA-N 2 2 342.443 1.460 20 0 EDADLP C[N@@H+](CCO)C1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000351464781 446071812 /nfs/dbraw/zinc/07/18/12/446071812.db2.gz XIDBEIJPMRXUCU-UHFFFAOYSA-N 2 2 342.443 1.460 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](F)C[NH+]1Cc1cccs1 ZINC000351474326 446075097 /nfs/dbraw/zinc/07/50/97/446075097.db2.gz YMIHUGPQCUVPPS-UMVBOHGHSA-N 2 2 325.453 1.871 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](F)C[NH+]1Cc1cccs1 ZINC000351474326 446075098 /nfs/dbraw/zinc/07/50/98/446075098.db2.gz YMIHUGPQCUVPPS-UMVBOHGHSA-N 2 2 325.453 1.871 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1 ZINC000351474326 446075101 /nfs/dbraw/zinc/07/51/01/446075101.db2.gz YMIHUGPQCUVPPS-UMVBOHGHSA-N 2 2 325.453 1.871 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cccs1 ZINC000351474326 446075104 /nfs/dbraw/zinc/07/51/04/446075104.db2.gz YMIHUGPQCUVPPS-UMVBOHGHSA-N 2 2 325.453 1.871 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccccc3OC(F)F)C[C@@H]12 ZINC000351478068 446078415 /nfs/dbraw/zinc/07/84/15/446078415.db2.gz OQAPKOBDWRADBZ-QJPTWQEYSA-N 2 2 325.359 1.896 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3OC(F)F)C[C@@H]12 ZINC000351478068 446078421 /nfs/dbraw/zinc/07/84/21/446078421.db2.gz OQAPKOBDWRADBZ-QJPTWQEYSA-N 2 2 325.359 1.896 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000351492448 446095414 /nfs/dbraw/zinc/09/54/14/446095414.db2.gz LERJOBXCZJTATK-VIRABCJISA-N 2 2 333.432 1.700 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000351492448 446095420 /nfs/dbraw/zinc/09/54/20/446095420.db2.gz LERJOBXCZJTATK-VIRABCJISA-N 2 2 333.432 1.700 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](Nc1nc(N[C@@H]3CCCOC3)cc[nH+]1)C2 ZINC000365261442 446108863 /nfs/dbraw/zinc/10/88/63/446108863.db2.gz KSJJGQUYIVJTNY-ZIAGYGMSSA-N 2 2 328.420 1.999 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521346 446123636 /nfs/dbraw/zinc/12/36/36/446123636.db2.gz UHILYLGJUWYYHP-APWZRJJASA-N 2 2 345.487 1.584 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521346 446123644 /nfs/dbraw/zinc/12/36/44/446123644.db2.gz UHILYLGJUWYYHP-APWZRJJASA-N 2 2 345.487 1.584 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521346 446123651 /nfs/dbraw/zinc/12/36/51/446123651.db2.gz UHILYLGJUWYYHP-APWZRJJASA-N 2 2 345.487 1.584 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521346 446123656 /nfs/dbraw/zinc/12/36/56/446123656.db2.gz UHILYLGJUWYYHP-APWZRJJASA-N 2 2 345.487 1.584 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000359297753 446130646 /nfs/dbraw/zinc/13/06/46/446130646.db2.gz FLMNXPXJCLFHAL-KDURUIRLSA-N 2 2 327.472 1.619 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC(Cc2ccccc2)CC1 ZINC000359297753 446130651 /nfs/dbraw/zinc/13/06/51/446130651.db2.gz FLMNXPXJCLFHAL-KDURUIRLSA-N 2 2 327.472 1.619 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000359386737 446190507 /nfs/dbraw/zinc/19/05/07/446190507.db2.gz LLSVMRCVNNEIGK-HIFRSBDPSA-N 2 2 341.477 1.095 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000359386737 446190510 /nfs/dbraw/zinc/19/05/10/446190510.db2.gz LLSVMRCVNNEIGK-HIFRSBDPSA-N 2 2 341.477 1.095 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000354359200 446142373 /nfs/dbraw/zinc/14/23/73/446142373.db2.gz YOUGEUANVKVNGP-UHFFFAOYSA-N 2 2 343.471 1.829 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@](C)(O)CC3)C2)CC1 ZINC000366317012 446146627 /nfs/dbraw/zinc/14/66/27/446146627.db2.gz WUBWLGHCSOSKGN-QAPCUYQASA-N 2 2 338.496 1.101 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@](C)(O)CC3)C2)CC1 ZINC000366317012 446146633 /nfs/dbraw/zinc/14/66/33/446146633.db2.gz WUBWLGHCSOSKGN-QAPCUYQASA-N 2 2 338.496 1.101 20 0 EDADLP CO[C@@H](C)C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C(C)C ZINC000354369599 446151454 /nfs/dbraw/zinc/15/14/54/446151454.db2.gz ULCJWHWELNCTEC-INIZCTEOSA-N 2 2 337.464 1.669 20 0 EDADLP CO[C@@H](C)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C(C)C ZINC000354369599 446151459 /nfs/dbraw/zinc/15/14/59/446151459.db2.gz ULCJWHWELNCTEC-INIZCTEOSA-N 2 2 337.464 1.669 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366496100 446237572 /nfs/dbraw/zinc/23/75/72/446237572.db2.gz IFYPXQNDFREYII-VKJFTORMSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366496100 446237576 /nfs/dbraw/zinc/23/75/76/446237576.db2.gz IFYPXQNDFREYII-VKJFTORMSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366496100 446237579 /nfs/dbraw/zinc/23/75/79/446237579.db2.gz IFYPXQNDFREYII-VKJFTORMSA-N 2 2 336.480 1.419 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366496100 446237583 /nfs/dbraw/zinc/23/75/83/446237583.db2.gz IFYPXQNDFREYII-VKJFTORMSA-N 2 2 336.480 1.419 20 0 EDADLP CN(CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000370346292 446239874 /nfs/dbraw/zinc/23/98/74/446239874.db2.gz DRDNSKDCRKINSG-IBGZPJMESA-N 2 2 332.492 1.071 20 0 EDADLP CN(CC[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000370346292 446239879 /nfs/dbraw/zinc/23/98/79/446239879.db2.gz DRDNSKDCRKINSG-IBGZPJMESA-N 2 2 332.492 1.071 20 0 EDADLP CN(C(=O)NC[C@@]1(C)CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373503264 446241132 /nfs/dbraw/zinc/24/11/32/446241132.db2.gz BKVVTCFNRKSIIU-SJLPKXTDSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NC[C@@]1(C)CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373503264 446241135 /nfs/dbraw/zinc/24/11/35/446241135.db2.gz BKVVTCFNRKSIIU-SJLPKXTDSA-N 2 2 338.496 1.365 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365544517 446247752 /nfs/dbraw/zinc/24/77/52/446247752.db2.gz GEBGFSPFVOWOHQ-NZSAHSFTSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365544517 446247757 /nfs/dbraw/zinc/24/77/57/446247757.db2.gz GEBGFSPFVOWOHQ-NZSAHSFTSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365544517 446247764 /nfs/dbraw/zinc/24/77/64/446247764.db2.gz GEBGFSPFVOWOHQ-NZSAHSFTSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365544517 446247770 /nfs/dbraw/zinc/24/77/70/446247770.db2.gz GEBGFSPFVOWOHQ-NZSAHSFTSA-N 2 2 343.471 1.728 20 0 EDADLP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366553081 446259500 /nfs/dbraw/zinc/25/95/00/446259500.db2.gz FOXXADNQOGHRAL-KRWDZBQOSA-N 2 2 338.496 1.461 20 0 EDADLP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366553081 446259501 /nfs/dbraw/zinc/25/95/01/446259501.db2.gz FOXXADNQOGHRAL-KRWDZBQOSA-N 2 2 338.496 1.461 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000366560931 446261846 /nfs/dbraw/zinc/26/18/46/446261846.db2.gz RAGBNDIZLKCIOT-HZPDHXFCSA-N 2 2 343.537 1.383 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC1CC[NH+](C3CC3)CC1)CCC2 ZINC000366708707 446318316 /nfs/dbraw/zinc/31/83/16/446318316.db2.gz LHDVCVHABCKXMU-CQSZACIVSA-N 2 2 331.464 1.995 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000366715880 446320666 /nfs/dbraw/zinc/32/06/66/446320666.db2.gz BPWCHNGQJCTGIY-OAGGEKHMSA-N 2 2 325.522 1.899 20 0 EDADLP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000366715880 446320671 /nfs/dbraw/zinc/32/06/71/446320671.db2.gz BPWCHNGQJCTGIY-OAGGEKHMSA-N 2 2 325.522 1.899 20 0 EDADLP CC(C)[C@H](C(=O)Nc1cnc2c(c1)C[NH2+]CC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000362273312 446298264 /nfs/dbraw/zinc/29/82/64/446298264.db2.gz AHPCTILGDWQBEH-QWQRMKEZSA-N 2 2 346.475 1.800 20 0 EDADLP CC(C)[C@H](C(=O)Nc1cnc2c(c1)C[NH2+]CC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000362273312 446298266 /nfs/dbraw/zinc/29/82/66/446298266.db2.gz AHPCTILGDWQBEH-QWQRMKEZSA-N 2 2 346.475 1.800 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000376249950 446399417 /nfs/dbraw/zinc/39/94/17/446399417.db2.gz KZVCXMIQSLMNHV-NVXWUHKLSA-N 2 2 338.496 1.223 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000365855409 446372582 /nfs/dbraw/zinc/37/25/82/446372582.db2.gz KAOPCZAXNROEHB-INIZCTEOSA-N 2 2 333.480 1.294 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000365855409 446372585 /nfs/dbraw/zinc/37/25/85/446372585.db2.gz KAOPCZAXNROEHB-INIZCTEOSA-N 2 2 333.480 1.294 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000417919121 446386009 /nfs/dbraw/zinc/38/60/09/446386009.db2.gz CPBGQPYAYDPIAQ-LSDHHAIUSA-N 2 2 340.830 1.838 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000417919121 446386010 /nfs/dbraw/zinc/38/60/10/446386010.db2.gz CPBGQPYAYDPIAQ-LSDHHAIUSA-N 2 2 340.830 1.838 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000370703770 446393851 /nfs/dbraw/zinc/39/38/51/446393851.db2.gz ULSVOOOMQJZPCS-NVXWUHKLSA-N 2 2 349.475 1.914 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000370703770 446393855 /nfs/dbraw/zinc/39/38/55/446393855.db2.gz ULSVOOOMQJZPCS-NVXWUHKLSA-N 2 2 349.475 1.914 20 0 EDADLP FC(F)(F)c1ccnc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423138035 446435984 /nfs/dbraw/zinc/43/59/84/446435984.db2.gz RUMDOLYQBSGVHD-HUUCEWRRSA-N 2 2 329.366 2.000 20 0 EDADLP COCCCn1nccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000366974665 446437662 /nfs/dbraw/zinc/43/76/62/446437662.db2.gz HCHYKSXWHJVZHW-INIZCTEOSA-N 2 2 336.480 1.510 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000420270887 446441599 /nfs/dbraw/zinc/44/15/99/446441599.db2.gz JYDRPKKSJJMDQN-AWEZNQCLSA-N 2 2 346.475 1.458 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432089891 446451107 /nfs/dbraw/zinc/45/11/07/446451107.db2.gz PXHQUSCENBKRBQ-CABCVRRESA-N 2 2 334.464 1.550 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432089891 446451110 /nfs/dbraw/zinc/45/11/10/446451110.db2.gz PXHQUSCENBKRBQ-CABCVRRESA-N 2 2 334.464 1.550 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000423307199 446480966 /nfs/dbraw/zinc/48/09/66/446480966.db2.gz MXGYOFRGABVHAY-AEFFLSMTSA-N 2 2 331.460 1.598 20 0 EDADLP C[C@H]1C[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000420295594 446456953 /nfs/dbraw/zinc/45/69/53/446456953.db2.gz VRWKCIRAOFLPNO-GOEBONIOSA-N 2 2 325.478 1.117 20 0 EDADLP C[C@H]1C[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000420295594 446456957 /nfs/dbraw/zinc/45/69/57/446456957.db2.gz VRWKCIRAOFLPNO-GOEBONIOSA-N 2 2 325.478 1.117 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418208006 446458458 /nfs/dbraw/zinc/45/84/58/446458458.db2.gz COOKRJZYNJXBFX-UHFFFAOYSA-N 2 2 328.416 1.803 20 0 EDADLP CN(C(=O)C(=O)Nc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831111 446465780 /nfs/dbraw/zinc/46/57/80/446465780.db2.gz RZLUIPODPPBHRO-KRWDZBQOSA-N 2 2 344.459 1.252 20 0 EDADLP CN(C(=O)C(=O)Nc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831111 446465785 /nfs/dbraw/zinc/46/57/85/446465785.db2.gz RZLUIPODPPBHRO-KRWDZBQOSA-N 2 2 344.459 1.252 20 0 EDADLP O=C1[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1F ZINC000420311763 446474782 /nfs/dbraw/zinc/47/47/82/446474782.db2.gz HRWVHDLWWSRELE-YJBOKZPZSA-N 2 2 346.450 1.301 20 0 EDADLP CC[C@@]1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC[NH2+]C1 ZINC000370844543 446477479 /nfs/dbraw/zinc/47/74/79/446477479.db2.gz VKZHPNSOEPLMDD-LJQANCHMSA-N 2 2 341.459 1.368 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccccc1C(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420313892 446478262 /nfs/dbraw/zinc/47/82/62/446478262.db2.gz QDKQABCYZVMYGW-CQSZACIVSA-N 2 2 333.432 1.876 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccccc1C(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420313892 446478271 /nfs/dbraw/zinc/47/82/71/446478271.db2.gz QDKQABCYZVMYGW-CQSZACIVSA-N 2 2 333.432 1.876 20 0 EDADLP CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000370849438 446479817 /nfs/dbraw/zinc/47/98/17/446479817.db2.gz HVYLWLGLBBHSEZ-QGZVFWFLSA-N 2 2 346.475 1.135 20 0 EDADLP CC(C)NC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000370849438 446479826 /nfs/dbraw/zinc/47/98/26/446479826.db2.gz HVYLWLGLBBHSEZ-QGZVFWFLSA-N 2 2 346.475 1.135 20 0 EDADLP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420319434 446486308 /nfs/dbraw/zinc/48/63/08/446486308.db2.gz ACPDPJAPYYBGQD-GJZGRUSLSA-N 2 2 347.459 1.710 20 0 EDADLP COc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420319434 446486313 /nfs/dbraw/zinc/48/63/13/446486313.db2.gz ACPDPJAPYYBGQD-GJZGRUSLSA-N 2 2 347.459 1.710 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000423328361 446489527 /nfs/dbraw/zinc/48/95/27/446489527.db2.gz DNADFKGITLSEOJ-KBAYOESNSA-N 2 2 331.460 1.564 20 0 EDADLP COc1cccc([C@@H](O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000367054477 446491325 /nfs/dbraw/zinc/49/13/25/446491325.db2.gz YHTRXGRIRKALAM-CRAIPNDOSA-N 2 2 347.459 1.013 20 0 EDADLP COc1cccc([C@@H](O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000367054477 446491331 /nfs/dbraw/zinc/49/13/31/446491331.db2.gz YHTRXGRIRKALAM-CRAIPNDOSA-N 2 2 347.459 1.013 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420336888 446505740 /nfs/dbraw/zinc/50/57/40/446505740.db2.gz QKBRGEJJYYRHCV-UHFFFAOYSA-N 2 2 327.432 1.849 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420336888 446505745 /nfs/dbraw/zinc/50/57/45/446505745.db2.gz QKBRGEJJYYRHCV-UHFFFAOYSA-N 2 2 327.432 1.849 20 0 EDADLP CCCCOCCNC(=O)C[N@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000375006989 446508301 /nfs/dbraw/zinc/50/83/01/446508301.db2.gz ZPNNNULVXDGERC-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+](C1CC1)C1CC[NH+](CC)CC1 ZINC000375006989 446508306 /nfs/dbraw/zinc/50/83/06/446508306.db2.gz ZPNNNULVXDGERC-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP COc1ccc(C)cc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340053 446511640 /nfs/dbraw/zinc/51/16/40/446511640.db2.gz ZRKAUNCPVPEBGO-OAHLLOKOSA-N 2 2 347.459 1.629 20 0 EDADLP COc1ccc(C)cc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340053 446511646 /nfs/dbraw/zinc/51/16/46/446511646.db2.gz ZRKAUNCPVPEBGO-OAHLLOKOSA-N 2 2 347.459 1.629 20 0 EDADLP CC1CCC([NH+]2CCC([N@H+](C)CCS(=O)(=O)N(C)C)CC2)CC1 ZINC000367153297 446514362 /nfs/dbraw/zinc/51/43/62/446514362.db2.gz YFJRWVICHSTLSH-UHFFFAOYSA-N 2 2 345.553 1.853 20 0 EDADLP CC1CCC([NH+]2CCC([N@@H+](C)CCS(=O)(=O)N(C)C)CC2)CC1 ZINC000367153297 446514365 /nfs/dbraw/zinc/51/43/65/446514365.db2.gz YFJRWVICHSTLSH-UHFFFAOYSA-N 2 2 345.553 1.853 20 0 EDADLP O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000420331011 446500959 /nfs/dbraw/zinc/50/09/59/446500959.db2.gz BHPOLDHEDMGTPH-DZGCQCFKSA-N 2 2 349.504 1.361 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000423506495 446558238 /nfs/dbraw/zinc/55/82/38/446558238.db2.gz GZXXSYDOVYBJIG-KOLCDFICSA-N 2 2 330.295 1.991 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418380897 446523212 /nfs/dbraw/zinc/52/32/12/446523212.db2.gz HTCNWRILQAJJLI-ZIAGYGMSSA-N 2 2 335.452 1.166 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4CC[N@H+](C)[C@@H]4C3)nc(N)c2cc1OC ZINC000375038053 446534107 /nfs/dbraw/zinc/53/41/07/446534107.db2.gz KMNXOYYRYQLCHZ-BXUZGUMPSA-N 2 2 343.431 1.760 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4CC[N@@H+](C)[C@@H]4C3)nc(N)c2cc1OC ZINC000375038053 446534112 /nfs/dbraw/zinc/53/41/12/446534112.db2.gz KMNXOYYRYQLCHZ-BXUZGUMPSA-N 2 2 343.431 1.760 20 0 EDADLP C[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C[C@H](O)C[NH3+] ZINC000420360991 446541592 /nfs/dbraw/zinc/54/15/92/446541592.db2.gz XITGAUVRIWQTBW-AEFFLSMTSA-N 2 2 337.439 1.425 20 0 EDADLP C[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C[C@H](O)C[NH3+] ZINC000420360991 446541598 /nfs/dbraw/zinc/54/15/98/446541598.db2.gz XITGAUVRIWQTBW-AEFFLSMTSA-N 2 2 337.439 1.425 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420362838 446542064 /nfs/dbraw/zinc/54/20/64/446542064.db2.gz IZKXUJDELCBISF-PJIJBLCYSA-N 2 2 346.475 1.280 20 0 EDADLP COc1ccncc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000376514722 446548350 /nfs/dbraw/zinc/54/83/50/446548350.db2.gz JLJSSORRKCKDNJ-UHFFFAOYSA-N 2 2 346.475 1.466 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C2(OC)CCOCC2)nc[nH+]1 ZINC000453161740 446549626 /nfs/dbraw/zinc/54/96/26/446549626.db2.gz QHDPFEMDAHZVDA-HUUCEWRRSA-N 2 2 349.479 1.661 20 0 EDADLP COCC1(CNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC[NH2+]CC1 ZINC000375065294 446556845 /nfs/dbraw/zinc/55/68/45/446556845.db2.gz NDNJTQCSAWWZFF-MRXNPFEDSA-N 2 2 346.475 1.430 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C1 ZINC000376554284 446572364 /nfs/dbraw/zinc/57/23/64/446572364.db2.gz SNBKZMAFZPAHPG-MOPGFXCFSA-N 2 2 339.524 1.266 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C1 ZINC000376554284 446572367 /nfs/dbraw/zinc/57/23/67/446572367.db2.gz SNBKZMAFZPAHPG-MOPGFXCFSA-N 2 2 339.524 1.266 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H](C)CC[NH3+])CC2)cs1 ZINC000418529141 446581501 /nfs/dbraw/zinc/58/15/01/446581501.db2.gz PUIBPPDJQHTACD-LBPRGKRZSA-N 2 2 325.482 1.406 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)CC[NH3+])CC2)cs1 ZINC000418529141 446581510 /nfs/dbraw/zinc/58/15/10/446581510.db2.gz PUIBPPDJQHTACD-LBPRGKRZSA-N 2 2 325.482 1.406 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)NCc2c[nH+]c3n2CCCC3)CC1(C)C ZINC000375106947 446584332 /nfs/dbraw/zinc/58/43/32/446584332.db2.gz WCFJOOQNGGEJLQ-UHFFFAOYSA-N 2 2 348.495 1.045 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)NCc2c[nH+]c3n2CCCC3)CC1(C)C ZINC000375106947 446584338 /nfs/dbraw/zinc/58/43/38/446584338.db2.gz WCFJOOQNGGEJLQ-UHFFFAOYSA-N 2 2 348.495 1.045 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420412406 446586126 /nfs/dbraw/zinc/58/61/26/446586126.db2.gz ZBECLPULVYXZAE-WBVHZDCISA-N 2 2 345.443 1.876 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420412406 446586136 /nfs/dbraw/zinc/58/61/36/446586136.db2.gz ZBECLPULVYXZAE-WBVHZDCISA-N 2 2 345.443 1.876 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N[C@@H]2CCn3cc[nH+]c3C2)[nH+]cn1 ZINC000433785573 446599042 /nfs/dbraw/zinc/59/90/42/446599042.db2.gz SCBRQLIEUDVLCD-ZIAGYGMSSA-N 2 2 328.420 1.451 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N[C@@H]2CCn3cc[nH+]c3C2)nc[nH+]1 ZINC000433785573 446599044 /nfs/dbraw/zinc/59/90/44/446599044.db2.gz SCBRQLIEUDVLCD-ZIAGYGMSSA-N 2 2 328.420 1.451 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000418695223 446652133 /nfs/dbraw/zinc/65/21/33/446652133.db2.gz JDZSXVNYVURPQZ-ZIAGYGMSSA-N 2 2 340.493 1.500 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000376723314 446678025 /nfs/dbraw/zinc/67/80/25/446678025.db2.gz NIUMLYZJAIZWAP-CYBMUJFWSA-N 2 2 330.436 1.860 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000423652109 446626220 /nfs/dbraw/zinc/62/62/20/446626220.db2.gz SDERBTCZVDLCET-INIZCTEOSA-N 2 2 333.432 1.608 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000423846330 446727558 /nfs/dbraw/zinc/72/75/58/446727558.db2.gz OVKNFNACFSVASJ-UHFFFAOYSA-N 2 2 332.448 1.274 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCc3ccccn3)C2)CC1 ZINC000371272532 446731783 /nfs/dbraw/zinc/73/17/83/446731783.db2.gz DXRRFGFTXPKGLT-QGZVFWFLSA-N 2 2 345.491 1.482 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCc3ccccn3)C2)CC1 ZINC000371272532 446731788 /nfs/dbraw/zinc/73/17/88/446731788.db2.gz DXRRFGFTXPKGLT-QGZVFWFLSA-N 2 2 345.491 1.482 20 0 EDADLP CCC[C@H](C(=O)OCC)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375337265 446732190 /nfs/dbraw/zinc/73/21/90/446732190.db2.gz LYVQCZFETZMMQV-QGZVFWFLSA-N 2 2 341.496 1.058 20 0 EDADLP CCC[C@H](C(=O)OCC)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375337265 446732194 /nfs/dbraw/zinc/73/21/94/446732194.db2.gz LYVQCZFETZMMQV-QGZVFWFLSA-N 2 2 341.496 1.058 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCN1C ZINC000423862239 446735362 /nfs/dbraw/zinc/73/53/62/446735362.db2.gz FUIKWFUFRQHBLD-QSFKDOLUSA-N 2 2 345.491 1.389 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]2CCOCC2)s1 ZINC000423750904 446680685 /nfs/dbraw/zinc/68/06/85/446680685.db2.gz DSLWBDWVEMWWFH-VXGBXAGGSA-N 2 2 347.431 1.529 20 0 EDADLP [NH3+]C1(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCOCC1 ZINC000423911170 446762011 /nfs/dbraw/zinc/76/20/11/446762011.db2.gz GPZOTRMXKQKQJG-STQMWFEESA-N 2 2 341.452 1.285 20 0 EDADLP [NH3+]C1(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCOCC1 ZINC000423911170 446762021 /nfs/dbraw/zinc/76/20/21/446762021.db2.gz GPZOTRMXKQKQJG-STQMWFEESA-N 2 2 341.452 1.285 20 0 EDADLP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423916200 446765402 /nfs/dbraw/zinc/76/54/02/446765402.db2.gz MZKNXELPJFRCFD-IHRRRGAJSA-N 2 2 325.453 1.776 20 0 EDADLP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423916200 446765410 /nfs/dbraw/zinc/76/54/10/446765410.db2.gz MZKNXELPJFRCFD-IHRRRGAJSA-N 2 2 325.453 1.776 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000423887155 446743294 /nfs/dbraw/zinc/74/32/94/446743294.db2.gz YCUGWQJZOSRTEI-ZDUSSCGKSA-N 2 2 328.407 1.929 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000375457370 446813429 /nfs/dbraw/zinc/81/34/29/446813429.db2.gz CMLHAMBSRMZIHR-HZPDHXFCSA-N 2 2 349.479 1.671 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)C1 ZINC000375457370 446813433 /nfs/dbraw/zinc/81/34/33/446813433.db2.gz CMLHAMBSRMZIHR-HZPDHXFCSA-N 2 2 349.479 1.671 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000375481382 446833667 /nfs/dbraw/zinc/83/36/67/446833667.db2.gz KYPUXKGXIZEPBU-SFHVURJKSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000375481382 446833673 /nfs/dbraw/zinc/83/36/73/446833673.db2.gz KYPUXKGXIZEPBU-SFHVURJKSA-N 2 2 337.508 1.866 20 0 EDADLP CN(C(=O)NCc1cscn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368395341 446835085 /nfs/dbraw/zinc/83/50/85/446835085.db2.gz RUESJMXAWACJLD-HNNXBMFYSA-N 2 2 337.493 1.453 20 0 EDADLP CN(C(=O)NCc1cscn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368395341 446835089 /nfs/dbraw/zinc/83/50/89/446835089.db2.gz RUESJMXAWACJLD-HNNXBMFYSA-N 2 2 337.493 1.453 20 0 EDADLP CCCCNc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)nc(N)[nH+]1 ZINC000439153066 446809447 /nfs/dbraw/zinc/80/94/47/446809447.db2.gz CWZMNLAGYLAMBW-UONOGXRCSA-N 2 2 336.484 1.552 20 0 EDADLP CCCCNc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)nc(N)[nH+]1 ZINC000439153066 446809452 /nfs/dbraw/zinc/80/94/52/446809452.db2.gz CWZMNLAGYLAMBW-UONOGXRCSA-N 2 2 336.484 1.552 20 0 EDADLP CC(C)CN(C1CC[NH+](C)CC1)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000377005774 446855730 /nfs/dbraw/zinc/85/57/30/446855730.db2.gz NFPHQHZUHKTQMG-PKOBYXMFSA-N 2 2 338.540 1.749 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419007424 446861829 /nfs/dbraw/zinc/86/18/29/446861829.db2.gz RONPDWKESKNJEZ-WBVHZDCISA-N 2 2 346.475 1.133 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419007424 446861839 /nfs/dbraw/zinc/86/18/39/446861839.db2.gz RONPDWKESKNJEZ-WBVHZDCISA-N 2 2 346.475 1.133 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371457805 446870601 /nfs/dbraw/zinc/87/06/01/446870601.db2.gz ITVWQOILGHMDRW-CQSZACIVSA-N 2 2 347.507 1.586 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371457805 446870604 /nfs/dbraw/zinc/87/06/04/446870604.db2.gz ITVWQOILGHMDRW-CQSZACIVSA-N 2 2 347.507 1.586 20 0 EDADLP CN1C[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000420964140 446934618 /nfs/dbraw/zinc/93/46/18/446934618.db2.gz NPEZWCQTWHKMPL-RTBURBONSA-N 2 2 343.471 1.571 20 0 EDADLP CN1C[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC000420964140 446934622 /nfs/dbraw/zinc/93/46/22/446934622.db2.gz NPEZWCQTWHKMPL-RTBURBONSA-N 2 2 343.471 1.571 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cn1C ZINC000368578357 446954906 /nfs/dbraw/zinc/95/49/06/446954906.db2.gz MIXCPQAZCCZOOX-UHFFFAOYSA-N 2 2 328.416 1.965 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442766990 446960116 /nfs/dbraw/zinc/96/01/16/446960116.db2.gz LUAAVSCMALYGBK-PKOBYXMFSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000442766990 446960124 /nfs/dbraw/zinc/96/01/24/446960124.db2.gz LUAAVSCMALYGBK-PKOBYXMFSA-N 3 2 344.503 1.308 20 0 EDADLP CC[C@@](C)(CCO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372110890 447008438 /nfs/dbraw/zinc/00/84/38/447008438.db2.gz KOBKVMOKTLKGRE-YOEHRIQHSA-N 2 2 326.485 1.005 20 0 EDADLP CC[C@@](C)(CCO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372110890 447008443 /nfs/dbraw/zinc/00/84/43/447008443.db2.gz KOBKVMOKTLKGRE-YOEHRIQHSA-N 2 2 326.485 1.005 20 0 EDADLP Cc1cccn2c(C[NH2+]C3CCC4(CC3)NC(=O)NC4=O)c[nH+]c12 ZINC000375740795 447014518 /nfs/dbraw/zinc/01/45/18/447014518.db2.gz GQHSYNSPYYHMQD-UHFFFAOYSA-N 2 2 327.388 1.253 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)on2)cn1 ZINC000368666666 447017913 /nfs/dbraw/zinc/01/79/13/447017913.db2.gz MOQZCOZMGRQNTI-MRXNPFEDSA-N 2 2 344.463 1.287 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)on2)cn1 ZINC000368666666 447017918 /nfs/dbraw/zinc/01/79/18/447017918.db2.gz MOQZCOZMGRQNTI-MRXNPFEDSA-N 2 2 344.463 1.287 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000377251061 447019933 /nfs/dbraw/zinc/01/99/33/447019933.db2.gz SNRYZZPWQSMXOE-MRXNPFEDSA-N 2 2 336.480 1.793 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000377251061 447019938 /nfs/dbraw/zinc/01/99/38/447019938.db2.gz SNRYZZPWQSMXOE-MRXNPFEDSA-N 2 2 336.480 1.793 20 0 EDADLP CO[C@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000377211259 446995546 /nfs/dbraw/zinc/99/55/46/446995546.db2.gz YGJGFIIHXLLNOL-LJQANCHMSA-N 2 2 349.475 1.815 20 0 EDADLP CO[C@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000377211259 446995556 /nfs/dbraw/zinc/99/55/56/446995556.db2.gz YGJGFIIHXLLNOL-LJQANCHMSA-N 2 2 349.475 1.815 20 0 EDADLP C[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765866 447033004 /nfs/dbraw/zinc/03/30/04/447033004.db2.gz YIBATEXTEUDNCS-PBWFPOADSA-N 2 2 325.453 1.001 20 0 EDADLP C[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765866 447033009 /nfs/dbraw/zinc/03/30/09/447033009.db2.gz YIBATEXTEUDNCS-PBWFPOADSA-N 2 2 325.453 1.001 20 0 EDADLP C[NH+](CC(=O)NCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765866 447033015 /nfs/dbraw/zinc/03/30/15/447033015.db2.gz YIBATEXTEUDNCS-PBWFPOADSA-N 2 2 325.453 1.001 20 0 EDADLP C[NH+](CC(=O)NCC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765866 447033020 /nfs/dbraw/zinc/03/30/20/447033020.db2.gz YIBATEXTEUDNCS-PBWFPOADSA-N 2 2 325.453 1.001 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1(C)C ZINC000368798684 447114207 /nfs/dbraw/zinc/11/42/07/447114207.db2.gz SIRIPLYPZARVAV-KDOFPFPSSA-N 2 2 343.431 1.416 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[N@@H+]1CCCOCC1 ZINC000425278382 447092962 /nfs/dbraw/zinc/09/29/62/447092962.db2.gz GQLPBNRJNSOOFV-KRWDZBQOSA-N 2 2 342.443 1.770 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[N@H+]1CCCOCC1 ZINC000425278382 447092964 /nfs/dbraw/zinc/09/29/64/447092964.db2.gz GQLPBNRJNSOOFV-KRWDZBQOSA-N 2 2 342.443 1.770 20 0 EDADLP CNc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000375840408 447093925 /nfs/dbraw/zinc/09/39/25/447093925.db2.gz PGYSYIVSRXBLAN-UHFFFAOYSA-N 2 2 345.491 1.803 20 0 EDADLP COCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000419386398 447143956 /nfs/dbraw/zinc/14/39/56/447143956.db2.gz MHZZZQGALAULNX-UHFFFAOYSA-N 2 2 339.505 1.751 20 0 EDADLP COCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000419386398 447143957 /nfs/dbraw/zinc/14/39/57/447143957.db2.gz MHZZZQGALAULNX-UHFFFAOYSA-N 2 2 339.505 1.751 20 0 EDADLP CCOC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372576461 447155851 /nfs/dbraw/zinc/15/58/51/447155851.db2.gz VFHYMMJUUZHCHA-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CCOC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372576461 447155855 /nfs/dbraw/zinc/15/58/55/447155855.db2.gz VFHYMMJUUZHCHA-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000425420590 447156084 /nfs/dbraw/zinc/15/60/84/447156084.db2.gz PKDITTNMPOYURN-ZDUSSCGKSA-N 2 2 345.534 1.772 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)s1 ZINC000425420590 447156088 /nfs/dbraw/zinc/15/60/88/447156088.db2.gz PKDITTNMPOYURN-ZDUSSCGKSA-N 2 2 345.534 1.772 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)s1 ZINC000425420590 447156089 /nfs/dbraw/zinc/15/60/89/447156089.db2.gz PKDITTNMPOYURN-ZDUSSCGKSA-N 2 2 345.534 1.772 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000425420590 447156093 /nfs/dbraw/zinc/15/60/93/447156093.db2.gz PKDITTNMPOYURN-ZDUSSCGKSA-N 2 2 345.534 1.772 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H]3CC4(CC4)C(=O)O3)CCC[NH+]2C)cn1 ZINC000375939823 447162931 /nfs/dbraw/zinc/16/29/31/447162931.db2.gz BSXQWHJGVLZWOC-BHYGNILZSA-N 2 2 346.475 1.831 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H]3CC4(CC4)C(=O)O3)CCC[NH+]2C)cn1 ZINC000375939823 447162937 /nfs/dbraw/zinc/16/29/37/447162937.db2.gz BSXQWHJGVLZWOC-BHYGNILZSA-N 2 2 346.475 1.831 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H]3CC4(CC4)C(=O)O3)CCC[N@@H+]2C)cn1 ZINC000375939823 447162943 /nfs/dbraw/zinc/16/29/43/447162943.db2.gz BSXQWHJGVLZWOC-BHYGNILZSA-N 2 2 346.475 1.831 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H]3CC4(CC4)C(=O)O3)CCC[N@H+]2C)cn1 ZINC000375939823 447162945 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ZINC000422781827 447749303 /nfs/dbraw/zinc/74/93/03/447749303.db2.gz LBZKXTULWDPVLP-OALUTQOASA-N 2 2 349.450 1.519 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000422786364 447750577 /nfs/dbraw/zinc/75/05/77/447750577.db2.gz QHBUUSQEJRHILK-RHSMWYFYSA-N 2 2 337.439 1.519 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422825345 447762085 /nfs/dbraw/zinc/76/20/85/447762085.db2.gz JOPIBZFALLOTFS-IAGOWNOFSA-N 2 2 332.496 1.238 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@H]1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422825345 447762088 /nfs/dbraw/zinc/76/20/88/447762088.db2.gz JOPIBZFALLOTFS-IAGOWNOFSA-N 2 2 332.496 1.238 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000452377392 447819123 /nfs/dbraw/zinc/81/91/23/447819123.db2.gz QZLQPRGKEHUCHO-MRXNPFEDSA-N 2 2 342.443 1.757 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000452377392 447819124 /nfs/dbraw/zinc/81/91/24/447819124.db2.gz QZLQPRGKEHUCHO-MRXNPFEDSA-N 2 2 342.443 1.757 20 0 EDADLP CCCCN(CC)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459839996 447767583 /nfs/dbraw/zinc/76/75/83/447767583.db2.gz WGHXQXFEDONAHQ-UHFFFAOYSA-N 2 2 340.512 1.119 20 0 EDADLP CCCCN(CC)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459839996 447767584 /nfs/dbraw/zinc/76/75/84/447767584.db2.gz WGHXQXFEDONAHQ-UHFFFAOYSA-N 2 2 340.512 1.119 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430543719 447776183 /nfs/dbraw/zinc/77/61/83/447776183.db2.gz FEZGKWJKXKRNKI-KBPBESRZSA-N 2 2 339.867 1.894 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430543719 447776185 /nfs/dbraw/zinc/77/61/85/447776185.db2.gz FEZGKWJKXKRNKI-KBPBESRZSA-N 2 2 339.867 1.894 20 0 EDADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000422961755 447781942 /nfs/dbraw/zinc/78/19/42/447781942.db2.gz ZUCJADSCYHVZOE-HOTGVXAUSA-N 2 2 336.867 1.458 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000430593852 447782452 /nfs/dbraw/zinc/78/24/52/447782452.db2.gz JRMLLGCOLZRZQC-INIZCTEOSA-N 2 2 336.392 1.026 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)C2=O)cc1 ZINC000422976357 447785525 /nfs/dbraw/zinc/78/55/25/447785525.db2.gz CXPYGAMDOIRLHQ-ZVZYQTTQSA-N 2 2 347.459 1.153 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496701973 447851781 /nfs/dbraw/zinc/85/17/81/447851781.db2.gz WHDCHIYBFABAST-SUYBPPKGSA-N 2 2 327.469 1.334 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496701973 447851783 /nfs/dbraw/zinc/85/17/83/447851783.db2.gz WHDCHIYBFABAST-SUYBPPKGSA-N 2 2 327.469 1.334 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111917 447863095 /nfs/dbraw/zinc/86/30/95/447863095.db2.gz JDMDHRFXLZKOOC-JKSUJKDBSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111917 447863098 /nfs/dbraw/zinc/86/30/98/447863098.db2.gz JDMDHRFXLZKOOC-JKSUJKDBSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111917 447863101 /nfs/dbraw/zinc/86/31/01/447863101.db2.gz JDMDHRFXLZKOOC-JKSUJKDBSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111917 447863104 /nfs/dbraw/zinc/86/31/04/447863104.db2.gz JDMDHRFXLZKOOC-JKSUJKDBSA-N 2 2 341.496 1.773 20 0 EDADLP CC(C)[C@H]1C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCCO1 ZINC000496769895 447897343 /nfs/dbraw/zinc/89/73/43/447897343.db2.gz WQDSREUVXKPINQ-AEFFLSMTSA-N 2 2 337.464 1.607 20 0 EDADLP CC(C)[C@H]1C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCCO1 ZINC000496769895 447897346 /nfs/dbraw/zinc/89/73/46/447897346.db2.gz WQDSREUVXKPINQ-AEFFLSMTSA-N 2 2 337.464 1.607 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000569839653 447904635 /nfs/dbraw/zinc/90/46/35/447904635.db2.gz NBSBTCZWGKTPLW-GOEBONIOSA-N 2 2 327.432 1.612 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCCc3cn4ccccc4[nH+]3)[C@@H]2C1 ZINC000569839653 447904641 /nfs/dbraw/zinc/90/46/41/447904641.db2.gz NBSBTCZWGKTPLW-GOEBONIOSA-N 2 2 327.432 1.612 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)nc[nH+]2)C1 ZINC000575849798 447911107 /nfs/dbraw/zinc/91/11/07/447911107.db2.gz KZVSFKAHCQVQGQ-MGLUKCQKSA-N 2 2 331.464 1.721 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)nc[nH+]2)C1 ZINC000575849798 447911113 /nfs/dbraw/zinc/91/11/13/447911113.db2.gz KZVSFKAHCQVQGQ-MGLUKCQKSA-N 2 2 331.464 1.721 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)[nH+]cn2)C1 ZINC000575849798 447911118 /nfs/dbraw/zinc/91/11/18/447911118.db2.gz KZVSFKAHCQVQGQ-MGLUKCQKSA-N 2 2 331.464 1.721 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)[nH+]cn2)C1 ZINC000575849798 447911121 /nfs/dbraw/zinc/91/11/21/447911121.db2.gz KZVSFKAHCQVQGQ-MGLUKCQKSA-N 2 2 331.464 1.721 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000524756699 447948997 /nfs/dbraw/zinc/94/89/97/447948997.db2.gz IHPLGKHFMVTBEB-XHSDSOJGSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000524756699 447949004 /nfs/dbraw/zinc/94/90/04/447949004.db2.gz IHPLGKHFMVTBEB-XHSDSOJGSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000524756699 447949010 /nfs/dbraw/zinc/94/90/10/447949010.db2.gz IHPLGKHFMVTBEB-XHSDSOJGSA-N 2 2 343.537 1.285 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)C1 ZINC000524756699 447949016 /nfs/dbraw/zinc/94/90/16/447949016.db2.gz IHPLGKHFMVTBEB-XHSDSOJGSA-N 2 2 343.537 1.285 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569911691 447913920 /nfs/dbraw/zinc/91/39/20/447913920.db2.gz KVBXPLFRLWHTBQ-CABCVRRESA-N 2 2 341.415 1.358 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@H+]3CC[C@H](C)C3)ccc2n1C ZINC000530567357 447915959 /nfs/dbraw/zinc/91/59/59/447915959.db2.gz VXWBOZQEJAOJOV-LBPRGKRZSA-N 2 2 343.431 1.278 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@@H+]3CC[C@H](C)C3)ccc2n1C ZINC000530567357 447915962 /nfs/dbraw/zinc/91/59/62/447915962.db2.gz VXWBOZQEJAOJOV-LBPRGKRZSA-N 2 2 343.431 1.278 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])Oc1cccc(C)c1 ZINC000575900103 447925257 /nfs/dbraw/zinc/92/52/57/447925257.db2.gz DDMZTLAIJWSLHO-HZPDHXFCSA-N 2 2 334.464 1.437 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])Oc1cccc(C)c1 ZINC000575900103 447925263 /nfs/dbraw/zinc/92/52/63/447925263.db2.gz DDMZTLAIJWSLHO-HZPDHXFCSA-N 2 2 334.464 1.437 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000524367701 447928048 /nfs/dbraw/zinc/92/80/48/447928048.db2.gz YQHCRCBBVUPAAH-CABCVRRESA-N 2 2 336.505 1.247 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000524367701 447928054 /nfs/dbraw/zinc/92/80/54/447928054.db2.gz YQHCRCBBVUPAAH-CABCVRRESA-N 2 2 336.505 1.247 20 0 EDADLP CO[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000576111436 447976081 /nfs/dbraw/zinc/97/60/81/447976081.db2.gz ZRAIEQZZIZNOAZ-SZMVWBNQSA-N 2 2 342.443 1.485 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCn2ccc3ccccc32)[C@H](C[NH3+])C1 ZINC000570264009 447971695 /nfs/dbraw/zinc/97/16/95/447971695.db2.gz UFVDSNBYKAHDGO-MRXNPFEDSA-N 2 2 329.448 1.316 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCn2ccc3ccccc32)[C@H](C[NH3+])C1 ZINC000570264009 447971701 /nfs/dbraw/zinc/97/17/01/447971701.db2.gz UFVDSNBYKAHDGO-MRXNPFEDSA-N 2 2 329.448 1.316 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000496941085 448055471 /nfs/dbraw/zinc/05/54/71/448055471.db2.gz GBIDHVPKYBHXKO-HZPDHXFCSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000496941085 448055474 /nfs/dbraw/zinc/05/54/74/448055474.db2.gz GBIDHVPKYBHXKO-HZPDHXFCSA-N 2 2 341.496 1.822 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000576277468 448017558 /nfs/dbraw/zinc/01/75/58/448017558.db2.gz AYOKWHXOFXGHOZ-OAHLLOKOSA-N 2 2 339.480 1.287 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000576277468 448017564 /nfs/dbraw/zinc/01/75/64/448017564.db2.gz AYOKWHXOFXGHOZ-OAHLLOKOSA-N 2 2 339.480 1.287 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CC[C@@H](C[NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000555165378 448065719 /nfs/dbraw/zinc/06/57/19/448065719.db2.gz RVHZWIIGFVYDCJ-IRXDYDNUSA-N 2 2 345.491 1.607 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CC[C@@H](C[NH+]4CCCC4)C3)[nH+]cn2)C1 ZINC000555165378 448065723 /nfs/dbraw/zinc/06/57/23/448065723.db2.gz RVHZWIIGFVYDCJ-IRXDYDNUSA-N 2 2 345.491 1.607 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c[nH+]1 ZINC000576848189 448154268 /nfs/dbraw/zinc/15/42/68/448154268.db2.gz WYPQSWKGDXTLMG-DLBZAZTESA-N 2 2 339.443 1.784 20 0 EDADLP C[C@H](C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000497051439 448157226 /nfs/dbraw/zinc/15/72/26/448157226.db2.gz CGJQOTFCKVKUSB-CQSZACIVSA-N 2 2 341.496 1.726 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)ccn12 ZINC000571296304 448132149 /nfs/dbraw/zinc/13/21/49/448132149.db2.gz LAMUKUGPAFBQIC-OAHLLOKOSA-N 2 2 328.416 1.437 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000526996724 448135103 /nfs/dbraw/zinc/13/51/03/448135103.db2.gz WQZFBXAQZWZWNZ-AWEZNQCLSA-N 2 2 343.475 1.638 20 0 EDADLP Cn1c2nnc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)n2c2ccsc2c1=O ZINC000571404782 448149370 /nfs/dbraw/zinc/14/93/70/448149370.db2.gz YQHLVUFTTZQACW-LLVKDONJSA-N 2 2 346.460 1.204 20 0 EDADLP Cn1c2nnc(C[N@H+]3CCC[C@H](CC[NH3+])C3)n2c2ccsc2c1=O ZINC000571404782 448149373 /nfs/dbraw/zinc/14/93/73/448149373.db2.gz YQHLVUFTTZQACW-LLVKDONJSA-N 2 2 346.460 1.204 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH+]1CCOCC1 ZINC000571685292 448190636 /nfs/dbraw/zinc/19/06/36/448190636.db2.gz FRYNPYUFFRHTRP-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000577073188 448206218 /nfs/dbraw/zinc/20/62/18/448206218.db2.gz MIGLEASDVPVURB-UONOGXRCSA-N 2 2 331.254 1.385 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000577073188 448206220 /nfs/dbraw/zinc/20/62/20/448206220.db2.gz MIGLEASDVPVURB-UONOGXRCSA-N 2 2 331.254 1.385 20 0 EDADLP O=C(C[N@@H+]1CCOc2cc(O)ccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000577200487 448234113 /nfs/dbraw/zinc/23/41/13/448234113.db2.gz VOVHBQNAZJRORZ-UHFFFAOYSA-N 2 2 345.443 1.330 20 0 EDADLP O=C(C[N@H+]1CCOc2cc(O)ccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000577200487 448234115 /nfs/dbraw/zinc/23/41/15/448234115.db2.gz VOVHBQNAZJRORZ-UHFFFAOYSA-N 2 2 345.443 1.330 20 0 EDADLP c1c(CC[NH2+]C2CCN(c3cnccn3)CC2)[nH+]c2n1CCCC2 ZINC000532195879 448214739 /nfs/dbraw/zinc/21/47/39/448214739.db2.gz XJRJLYCUJDNRCF-UHFFFAOYSA-N 2 2 326.448 1.811 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(Sc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000571984086 448253004 /nfs/dbraw/zinc/25/30/04/448253004.db2.gz GQXQYGKYKQVONM-CQSZACIVSA-N 2 2 334.489 1.596 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000571999414 448258597 /nfs/dbraw/zinc/25/85/97/448258597.db2.gz DCZNDOOKZUSWMR-MQYQWHSLSA-N 2 2 333.423 1.234 20 0 EDADLP CC1(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000572092804 448281180 /nfs/dbraw/zinc/28/11/80/448281180.db2.gz AASMQPXOKGRNPL-HNNXBMFYSA-N 2 2 331.464 1.672 20 0 EDADLP Cc1cccc([C@H](CNC(=O)CC[NH2+]C2CC2)[NH+]2CCOCC2)c1 ZINC000577388875 448284878 /nfs/dbraw/zinc/28/48/78/448284878.db2.gz QHJUFTGYHYRRQS-SFHVURJKSA-N 2 2 331.460 1.627 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000492822178 448302885 /nfs/dbraw/zinc/30/28/85/448302885.db2.gz HOJZXLCJPLBNSF-JTHGQSKGSA-N 2 2 340.427 1.830 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000492822178 448302889 /nfs/dbraw/zinc/30/28/89/448302889.db2.gz HOJZXLCJPLBNSF-JTHGQSKGSA-N 2 2 340.427 1.830 20 0 EDADLP CC(=O)c1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)on1 ZINC000515666239 448340965 /nfs/dbraw/zinc/34/09/65/448340965.db2.gz RLRMMKLNLURZSK-UHFFFAOYSA-N 2 2 334.464 1.727 20 0 EDADLP Cc1cc(CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)cc(C)[nH+]1 ZINC000582899281 448371386 /nfs/dbraw/zinc/37/13/86/448371386.db2.gz LVVGTNWKNFJOEA-UHFFFAOYSA-N 2 2 338.411 1.599 20 0 EDADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cc(F)ccc1F ZINC000572262324 448331617 /nfs/dbraw/zinc/33/16/17/448331617.db2.gz KUTOKALRTMTZFL-SWLSCSKDSA-N 2 2 326.391 1.700 20 0 EDADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cc(F)ccc1F ZINC000572262324 448331621 /nfs/dbraw/zinc/33/16/21/448331621.db2.gz KUTOKALRTMTZFL-SWLSCSKDSA-N 2 2 326.391 1.700 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527688252 448337254 /nfs/dbraw/zinc/33/72/54/448337254.db2.gz WRLXCWOHHAKODP-OAHLLOKOSA-N 2 2 335.452 1.168 20 0 EDADLP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000516185411 448394397 /nfs/dbraw/zinc/39/43/97/448394397.db2.gz AJUDEDUJRWRMDI-AWEZNQCLSA-N 3 2 328.420 1.620 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCC3)CC2)N1 ZINC000527946984 448394720 /nfs/dbraw/zinc/39/47/20/448394720.db2.gz JEPVTSSJWMJBBX-NSWWBONSSA-N 2 2 334.464 1.504 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCCC3)CC2)N1 ZINC000527946984 448394724 /nfs/dbraw/zinc/39/47/24/448394724.db2.gz JEPVTSSJWMJBBX-NSWWBONSSA-N 2 2 334.464 1.504 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000577845669 448400462 /nfs/dbraw/zinc/40/04/62/448400462.db2.gz ZDSBGZDBFNPVCN-WBVHZDCISA-N 2 2 335.423 1.679 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000577845669 448400468 /nfs/dbraw/zinc/40/04/68/448400468.db2.gz ZDSBGZDBFNPVCN-WBVHZDCISA-N 2 2 335.423 1.679 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000583012873 448402740 /nfs/dbraw/zinc/40/27/40/448402740.db2.gz KNUHEHJEGJNHDE-UHFFFAOYSA-N 3 2 345.491 1.480 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000533555952 448416980 /nfs/dbraw/zinc/41/69/80/448416980.db2.gz LUMOYKKEOBELOL-HRCADAONSA-N 2 2 331.464 1.995 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000533555952 448416983 /nfs/dbraw/zinc/41/69/83/448416983.db2.gz LUMOYKKEOBELOL-HRCADAONSA-N 2 2 331.464 1.995 20 0 EDADLP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1(C)C ZINC000572454527 448381431 /nfs/dbraw/zinc/38/14/31/448381431.db2.gz IARQLYDIWSXIJM-QUSNUVHPSA-N 2 2 328.497 1.638 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)cn1 ZINC000566249876 448430681 /nfs/dbraw/zinc/43/06/81/448430681.db2.gz RGULHVYQLFKVKJ-KRWDZBQOSA-N 2 2 333.480 1.470 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)cn1 ZINC000566249876 448430688 /nfs/dbraw/zinc/43/06/88/448430688.db2.gz RGULHVYQLFKVKJ-KRWDZBQOSA-N 2 2 333.480 1.470 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3nccn3-c3ccccc3)C2)nn1 ZINC000516551235 448436400 /nfs/dbraw/zinc/43/64/00/448436400.db2.gz YYIWNRFIYKSBAQ-KRWDZBQOSA-N 2 2 337.431 1.760 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCN4C(=O)CC[C@H]4C3)c2cc1C ZINC000534298027 448442210 /nfs/dbraw/zinc/44/22/10/448442210.db2.gz DSWOBRPDXZHJMR-HOTGVXAUSA-N 2 2 342.443 1.321 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCN4C(=O)CC[C@H]4C3)c2cc1C ZINC000534298027 448442216 /nfs/dbraw/zinc/44/22/16/448442216.db2.gz DSWOBRPDXZHJMR-HOTGVXAUSA-N 2 2 342.443 1.321 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000528135796 448442712 /nfs/dbraw/zinc/44/27/12/448442712.db2.gz ZPBDBPNVCDYUEN-SFHVURJKSA-N 2 2 347.463 1.105 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000528135796 448442717 /nfs/dbraw/zinc/44/27/17/448442717.db2.gz ZPBDBPNVCDYUEN-SFHVURJKSA-N 2 2 347.463 1.105 20 0 EDADLP CCC[C@@H](OCC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000528315865 448484866 /nfs/dbraw/zinc/48/48/66/448484866.db2.gz NMYWWTSVZHXAMQ-QGZVFWFLSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572880601 448488880 /nfs/dbraw/zinc/48/88/80/448488880.db2.gz FGZXYEMRBGSNFC-DNVCBOLYSA-N 2 2 333.451 1.948 20 0 EDADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572880601 448488882 /nfs/dbraw/zinc/48/88/82/448488882.db2.gz FGZXYEMRBGSNFC-DNVCBOLYSA-N 2 2 333.451 1.948 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000591868745 448514072 /nfs/dbraw/zinc/51/40/72/448514072.db2.gz DBLPFXUAVYQXJK-SJORKVTESA-N 2 2 340.427 1.640 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000591868745 448514076 /nfs/dbraw/zinc/51/40/76/448514076.db2.gz DBLPFXUAVYQXJK-SJORKVTESA-N 2 2 340.427 1.640 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000517326936 448571759 /nfs/dbraw/zinc/57/17/59/448571759.db2.gz YHTZXWURJUJUHE-OLZOCXBDSA-N 2 2 342.281 1.931 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000517326936 448571762 /nfs/dbraw/zinc/57/17/62/448571762.db2.gz YHTZXWURJUJUHE-OLZOCXBDSA-N 2 2 342.281 1.931 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566854458 448572671 /nfs/dbraw/zinc/57/26/71/448572671.db2.gz PWQIOPCKNHBSJU-ZIAGYGMSSA-N 2 2 326.404 1.124 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000537943599 448575416 /nfs/dbraw/zinc/57/54/16/448575416.db2.gz SQFKFAJGNNUCOA-DDBAPUKQSA-N 2 2 330.476 1.796 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000537943599 448575424 /nfs/dbraw/zinc/57/54/24/448575424.db2.gz SQFKFAJGNNUCOA-DDBAPUKQSA-N 2 2 330.476 1.796 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573374957 448610651 /nfs/dbraw/zinc/61/06/51/448610651.db2.gz GLDIGNKDZCGRKS-BPUTZDHNSA-N 2 2 335.473 1.055 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573374957 448610654 /nfs/dbraw/zinc/61/06/54/448610654.db2.gz GLDIGNKDZCGRKS-BPUTZDHNSA-N 2 2 335.473 1.055 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000573414162 448618002 /nfs/dbraw/zinc/61/80/02/448618002.db2.gz BLZFCBCGVYGMLW-DOMZBBRYSA-N 2 2 333.461 1.931 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000573414162 448618007 /nfs/dbraw/zinc/61/80/07/448618007.db2.gz BLZFCBCGVYGMLW-DOMZBBRYSA-N 2 2 333.461 1.931 20 0 EDADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567146970 448623966 /nfs/dbraw/zinc/62/39/66/448623966.db2.gz DIYWAPUGLPHTEQ-ZFWWWQNUSA-N 2 2 334.464 1.886 20 0 EDADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567146970 448623969 /nfs/dbraw/zinc/62/39/69/448623969.db2.gz DIYWAPUGLPHTEQ-ZFWWWQNUSA-N 2 2 334.464 1.886 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000566922543 448586615 /nfs/dbraw/zinc/58/66/15/448586615.db2.gz PCDLPAIFQQBEDW-GFCCVEGCSA-N 2 2 333.461 1.497 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cs1 ZINC000566922543 448586621 /nfs/dbraw/zinc/58/66/21/448586621.db2.gz PCDLPAIFQQBEDW-GFCCVEGCSA-N 2 2 333.461 1.497 20 0 EDADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000566947841 448589456 /nfs/dbraw/zinc/58/94/56/448589456.db2.gz ZTHFESFAWIOBBI-RBSFLKMASA-N 2 2 331.464 1.722 20 0 EDADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[N@H+]1C1CC1 ZINC000566947841 448589461 /nfs/dbraw/zinc/58/94/61/448589461.db2.gz ZTHFESFAWIOBBI-RBSFLKMASA-N 2 2 331.464 1.722 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000578611279 448590975 /nfs/dbraw/zinc/59/09/75/448590975.db2.gz YTBVFHJXGMHJNS-SFHVURJKSA-N 2 2 331.416 1.107 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000578611279 448590977 /nfs/dbraw/zinc/59/09/77/448590977.db2.gz YTBVFHJXGMHJNS-SFHVURJKSA-N 2 2 331.416 1.107 20 0 EDADLP O=C(N1CCCC1)N1CCC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000573437250 448625406 /nfs/dbraw/zinc/62/54/06/448625406.db2.gz XOZZTINLQKYRKL-YESZJQIVSA-N 2 2 336.480 1.023 20 0 EDADLP CC[C@@H](CS(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)OC ZINC000518160598 448648856 /nfs/dbraw/zinc/64/88/56/448648856.db2.gz PKGOBPBQQDGOLD-ZDUSSCGKSA-N 2 2 342.465 1.000 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000573547634 448654708 /nfs/dbraw/zinc/65/47/08/448654708.db2.gz AKXVHSAULMSYLT-KBAYOESNSA-N 2 2 346.475 1.439 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567167272 448627843 /nfs/dbraw/zinc/62/78/43/448627843.db2.gz LOIKQHWTWVQGGR-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567167272 448627847 /nfs/dbraw/zinc/62/78/47/448627847.db2.gz LOIKQHWTWVQGGR-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000517961273 448636643 /nfs/dbraw/zinc/63/66/43/448636643.db2.gz OLZPZIROPJXLJZ-SJLPKXTDSA-N 2 2 331.460 1.566 20 0 EDADLP O=C1[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCN1c1ccc(Cl)cc1 ZINC000518558226 448691759 /nfs/dbraw/zinc/69/17/59/448691759.db2.gz HYWAVWMRPNFZFE-OAHLLOKOSA-N 2 2 345.834 1.991 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000518733164 448703383 /nfs/dbraw/zinc/70/33/83/448703383.db2.gz VJDFJIOCPZMYTM-JQHSSLGASA-N 2 2 346.475 1.266 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000518733164 448703389 /nfs/dbraw/zinc/70/33/89/448703389.db2.gz VJDFJIOCPZMYTM-JQHSSLGASA-N 2 2 346.475 1.266 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000518946984 448723577 /nfs/dbraw/zinc/72/35/77/448723577.db2.gz BUJWKDMGLIIJRD-PXNSSMCTSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000518946984 448723582 /nfs/dbraw/zinc/72/35/82/448723582.db2.gz BUJWKDMGLIIJRD-PXNSSMCTSA-N 2 2 345.487 1.954 20 0 EDADLP O=C(CNc1[nH+]ccc2cc(C(F)(F)F)ccc21)N1CC[NH2+]CC1 ZINC000518945959 448723711 /nfs/dbraw/zinc/72/37/11/448723711.db2.gz USHHIPVQUJZSKE-UHFFFAOYSA-N 2 2 338.333 2.097 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000574175916 448810836 /nfs/dbraw/zinc/81/08/36/448810836.db2.gz XEIDFSQAZBRADI-OAHLLOKOSA-N 2 2 347.463 1.738 20 0 EDADLP CC(C)[C@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000579344872 448771712 /nfs/dbraw/zinc/77/17/12/448771712.db2.gz QLRPJIVATIAZIL-CWQOZTLDSA-N 2 2 328.497 1.497 20 0 EDADLP CC(C)[C@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000579344872 448771715 /nfs/dbraw/zinc/77/17/15/448771715.db2.gz QLRPJIVATIAZIL-CWQOZTLDSA-N 2 2 328.497 1.497 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2OCC2CC2)[C@@H](C[NH3+])C1 ZINC000519590269 448793341 /nfs/dbraw/zinc/79/33/41/448793341.db2.gz CQZDFVSMUDTZIT-INIZCTEOSA-N 2 2 332.448 1.260 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccccc2OCC2CC2)[C@@H](C[NH3+])C1 ZINC000519590269 448793347 /nfs/dbraw/zinc/79/33/47/448793347.db2.gz CQZDFVSMUDTZIT-INIZCTEOSA-N 2 2 332.448 1.260 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000579454890 448795514 /nfs/dbraw/zinc/79/55/14/448795514.db2.gz HIEKPXDXRYBBMY-MRXNPFEDSA-N 2 2 342.447 1.629 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000579454890 448795520 /nfs/dbraw/zinc/79/55/20/448795520.db2.gz HIEKPXDXRYBBMY-MRXNPFEDSA-N 2 2 342.447 1.629 20 0 EDADLP CCOc1cc2c(cc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)O[C@@H](C)C2 ZINC000579459206 448796823 /nfs/dbraw/zinc/79/68/23/448796823.db2.gz GDWBOXGSBUHYCD-SUMWQHHRSA-N 2 2 334.460 1.953 20 0 EDADLP CCOc1cc2c(cc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)O[C@@H](C)C2 ZINC000579459206 448796828 /nfs/dbraw/zinc/79/68/28/448796828.db2.gz GDWBOXGSBUHYCD-SUMWQHHRSA-N 2 2 334.460 1.953 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000574222285 448822677 /nfs/dbraw/zinc/82/26/77/448822677.db2.gz VNJDPZYJSBSCHJ-UHFFFAOYSA-N 2 2 327.432 1.130 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529325774 448824718 /nfs/dbraw/zinc/82/47/18/448824718.db2.gz MEGKHGJPWZFXLL-OAHLLOKOSA-N 2 2 335.452 1.203 20 0 EDADLP Cc1occc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000586854196 448824858 /nfs/dbraw/zinc/82/48/58/448824858.db2.gz HIZZVIFXICYHQX-UHFFFAOYSA-N 2 2 334.464 1.946 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)Cn1cc[nH+]c1 ZINC000579661800 448842074 /nfs/dbraw/zinc/84/20/74/448842074.db2.gz GBYWCUNERAENDV-SJLPKXTDSA-N 2 2 341.459 1.943 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)Cn1cc[nH+]c1 ZINC000579661800 448842079 /nfs/dbraw/zinc/84/20/79/448842079.db2.gz GBYWCUNERAENDV-SJLPKXTDSA-N 2 2 341.459 1.943 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529368359 448843693 /nfs/dbraw/zinc/84/36/93/448843693.db2.gz UZYQZSKJNUXDDY-DZGCQCFKSA-N 2 2 348.495 1.947 20 0 EDADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529389146 448854329 /nfs/dbraw/zinc/85/43/29/448854329.db2.gz SZOBRTAJOKMTSR-HOTGVXAUSA-N 2 2 339.867 1.343 20 0 EDADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000529389146 448854332 /nfs/dbraw/zinc/85/43/32/448854332.db2.gz SZOBRTAJOKMTSR-HOTGVXAUSA-N 2 2 339.867 1.343 20 0 EDADLP C[C@H](NC(=O)c1c[nH+]ccc1N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568399562 448868824 /nfs/dbraw/zinc/86/88/24/448868824.db2.gz SSPWJIHVXZHBKN-KBXCAEBGSA-N 2 2 340.427 1.513 20 0 EDADLP C[C@H](NC(=O)c1c[nH+]ccc1N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568399562 448868828 /nfs/dbraw/zinc/86/88/28/448868828.db2.gz SSPWJIHVXZHBKN-KBXCAEBGSA-N 2 2 340.427 1.513 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C[C@H]12 ZINC000579811962 448881675 /nfs/dbraw/zinc/88/16/75/448881675.db2.gz CKBLJIKJCKXLMT-OKZBNKHCSA-N 2 2 339.443 1.810 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)cc1Br ZINC000579708558 448859124 /nfs/dbraw/zinc/85/91/24/448859124.db2.gz PUZUUUJNOXKYPS-GFCCVEGCSA-N 2 2 340.265 1.781 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000592489116 448859692 /nfs/dbraw/zinc/85/96/92/448859692.db2.gz QUTRRWYZAADKDR-CJNGLKHVSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000592489116 448859697 /nfs/dbraw/zinc/85/96/97/448859697.db2.gz QUTRRWYZAADKDR-CJNGLKHVSA-N 2 2 333.432 1.861 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000568526532 448885026 /nfs/dbraw/zinc/88/50/26/448885026.db2.gz FOLOOFLPGXTGOX-QGZVFWFLSA-N 2 2 325.497 1.460 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000568526532 448885031 /nfs/dbraw/zinc/88/50/31/448885031.db2.gz FOLOOFLPGXTGOX-QGZVFWFLSA-N 2 2 325.497 1.460 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOc2cccc(F)c2)C[C@H](C)O1 ZINC000568620208 448896743 /nfs/dbraw/zinc/89/67/43/448896743.db2.gz DLKBAFFFLMJECF-LZWOXQAQSA-N 2 2 326.412 1.264 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOc2cccc(F)c2)C[C@H](C)O1 ZINC000568620208 448896750 /nfs/dbraw/zinc/89/67/50/448896750.db2.gz DLKBAFFFLMJECF-LZWOXQAQSA-N 2 2 326.412 1.264 20 0 EDADLP Cc1ccc(Br)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568727184 448908708 /nfs/dbraw/zinc/90/87/08/448908708.db2.gz PTFVKLFUGSLINM-LBPRGKRZSA-N 2 2 341.253 1.864 20 0 EDADLP Cc1ccc(Br)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568727184 448908712 /nfs/dbraw/zinc/90/87/12/448908712.db2.gz PTFVKLFUGSLINM-LBPRGKRZSA-N 2 2 341.253 1.864 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000579948576 448918885 /nfs/dbraw/zinc/91/88/85/448918885.db2.gz MZSSTCGYHZCZCY-RBUKOAKNSA-N 2 2 344.503 1.705 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC[C@H]4C[N@H+](C)C[C@H]43)nc[nH+]2)C1 ZINC000568993652 448949425 /nfs/dbraw/zinc/94/94/25/448949425.db2.gz ORMYVSBMQUFQPI-YHUYYLMFSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC[C@H]4C[N@@H+](C)C[C@H]43)nc[nH+]2)C1 ZINC000568993652 448949427 /nfs/dbraw/zinc/94/94/27/448949427.db2.gz ORMYVSBMQUFQPI-YHUYYLMFSA-N 2 2 331.464 1.214 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000521072033 448953465 /nfs/dbraw/zinc/95/34/65/448953465.db2.gz KNFRBDMRAGKOFD-HNNXBMFYSA-N 2 2 347.459 1.300 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000521072033 448953469 /nfs/dbraw/zinc/95/34/69/448953469.db2.gz KNFRBDMRAGKOFD-HNNXBMFYSA-N 2 2 347.459 1.300 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000574783032 448956283 /nfs/dbraw/zinc/95/62/83/448956283.db2.gz OLUHQXYQARGIEN-JTQLQIEISA-N 2 2 332.326 1.534 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000574783032 448956285 /nfs/dbraw/zinc/95/62/85/448956285.db2.gz OLUHQXYQARGIEN-JTQLQIEISA-N 2 2 332.326 1.534 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548011149 448966307 /nfs/dbraw/zinc/96/63/07/448966307.db2.gz XTXLRLJMYHFSQI-QWHCGFSZSA-N 2 2 333.436 1.243 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548011149 448966312 /nfs/dbraw/zinc/96/63/12/448966312.db2.gz XTXLRLJMYHFSQI-QWHCGFSZSA-N 2 2 333.436 1.243 20 0 EDADLP CCN1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548019796 448967504 /nfs/dbraw/zinc/96/75/04/448967504.db2.gz KLFQZWIQNJLLQD-KGLIPLIRSA-N 2 2 337.493 1.052 20 0 EDADLP CCN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548019796 448967508 /nfs/dbraw/zinc/96/75/08/448967508.db2.gz KLFQZWIQNJLLQD-KGLIPLIRSA-N 2 2 337.493 1.052 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)C2 ZINC000521578659 448997723 /nfs/dbraw/zinc/99/77/23/448997723.db2.gz IOCGCOYOZOOFFL-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)CC2 ZINC000521578659 448997727 /nfs/dbraw/zinc/99/77/27/448997727.db2.gz IOCGCOYOZOOFFL-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000582058226 449000339 /nfs/dbraw/zinc/00/03/39/449000339.db2.gz TYHPEDMWSYKGAZ-DBVUQKKJSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000582058226 449000344 /nfs/dbraw/zinc/00/03/44/449000344.db2.gz TYHPEDMWSYKGAZ-DBVUQKKJSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582058226 449000347 /nfs/dbraw/zinc/00/03/47/449000347.db2.gz TYHPEDMWSYKGAZ-DBVUQKKJSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582058226 449000353 /nfs/dbraw/zinc/00/03/53/449000353.db2.gz TYHPEDMWSYKGAZ-DBVUQKKJSA-N 2 2 347.503 1.321 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000582166756 449026553 /nfs/dbraw/zinc/02/65/53/449026553.db2.gz XXVCXSPNHAKKFS-QGZVFWFLSA-N 2 2 345.491 1.052 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000582166756 449026556 /nfs/dbraw/zinc/02/65/56/449026556.db2.gz XXVCXSPNHAKKFS-QGZVFWFLSA-N 2 2 345.491 1.052 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000582184062 449031864 /nfs/dbraw/zinc/03/18/64/449031864.db2.gz KJXPGZWFYLEZPE-DOTOQJQBSA-N 2 2 334.464 1.405 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc(F)c1 ZINC000548654059 449071704 /nfs/dbraw/zinc/07/17/04/449071704.db2.gz MGGZAGVRMQOTFU-HOTGVXAUSA-N 2 2 345.422 1.939 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000575352712 449083795 /nfs/dbraw/zinc/08/37/95/449083795.db2.gz AHDQYVLNMVDLNH-CALCHBBNSA-N 2 2 325.416 1.292 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000530244459 449091729 /nfs/dbraw/zinc/09/17/29/449091729.db2.gz YFKDOVYHNWIYQC-UHFFFAOYSA-N 2 2 342.443 1.105 20 0 EDADLP COC(=O)C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC2(CCC2)C1 ZINC000597993677 449178389 /nfs/dbraw/zinc/17/83/89/449178389.db2.gz VMCMGJLJUKWTPQ-UHFFFAOYSA-N 2 2 339.480 1.110 20 0 EDADLP COC(=O)C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC2(CCC2)C1 ZINC000597993677 449178395 /nfs/dbraw/zinc/17/83/95/449178395.db2.gz VMCMGJLJUKWTPQ-UHFFFAOYSA-N 2 2 339.480 1.110 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)n1C ZINC000602002118 449269830 /nfs/dbraw/zinc/26/98/30/449269830.db2.gz AVXODMYUTRDVNU-UHFFFAOYSA-N 2 2 342.443 1.961 20 0 EDADLP COC(=O)C(C)(C)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000611406635 449282716 /nfs/dbraw/zinc/28/27/16/449282716.db2.gz SRFNTIRYLGWKHK-QGZVFWFLSA-N 2 2 347.459 1.291 20 0 EDADLP COC(=O)Cc1cc[nH+]c(NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000596239956 449435069 /nfs/dbraw/zinc/43/50/69/449435069.db2.gz NDHBDFQMBDUGOG-UHFFFAOYSA-N 2 2 348.447 1.201 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602197750 449425835 /nfs/dbraw/zinc/42/58/35/449425835.db2.gz WUKJNPHPSKFVCS-AWEZNQCLSA-N 2 2 333.480 1.442 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602197750 449425836 /nfs/dbraw/zinc/42/58/36/449425836.db2.gz WUKJNPHPSKFVCS-AWEZNQCLSA-N 2 2 333.480 1.442 20 0 EDADLP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602203735 449432529 /nfs/dbraw/zinc/43/25/29/449432529.db2.gz GVZQOXLSQMRBSJ-CJNGLKHVSA-N 2 2 347.507 1.425 20 0 EDADLP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602203735 449432530 /nfs/dbraw/zinc/43/25/30/449432530.db2.gz GVZQOXLSQMRBSJ-CJNGLKHVSA-N 2 2 347.507 1.425 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614091792 449455035 /nfs/dbraw/zinc/45/50/35/449455035.db2.gz BMRUSYVGSNFXGY-KSZLIROESA-N 2 2 346.450 1.691 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614091792 449455038 /nfs/dbraw/zinc/45/50/38/449455038.db2.gz BMRUSYVGSNFXGY-KSZLIROESA-N 2 2 346.450 1.691 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000600711165 449509960 /nfs/dbraw/zinc/50/99/60/449509960.db2.gz RMRZCYDDOIUVOR-IJEWVQPXSA-N 2 2 339.480 1.297 20 0 EDADLP O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614445933 449614124 /nfs/dbraw/zinc/61/41/24/449614124.db2.gz FBJUFHWMFUHYLK-LSDHHAIUSA-N 2 2 332.448 1.228 20 0 EDADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614445933 449614134 /nfs/dbraw/zinc/61/41/34/449614134.db2.gz FBJUFHWMFUHYLK-LSDHHAIUSA-N 2 2 332.448 1.228 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000617451955 449617948 /nfs/dbraw/zinc/61/79/48/449617948.db2.gz IAUXXFRSUBPEQJ-UHOSZYNNSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)C1 ZINC000617451955 449617957 /nfs/dbraw/zinc/61/79/57/449617957.db2.gz IAUXXFRSUBPEQJ-UHOSZYNNSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000617451955 449617967 /nfs/dbraw/zinc/61/79/67/449617967.db2.gz IAUXXFRSUBPEQJ-UHOSZYNNSA-N 2 2 343.471 1.440 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000617451955 449617971 /nfs/dbraw/zinc/61/79/71/449617971.db2.gz IAUXXFRSUBPEQJ-UHOSZYNNSA-N 2 2 343.471 1.440 20 0 EDADLP CCc1ncncc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000607876388 449654145 /nfs/dbraw/zinc/65/41/45/449654145.db2.gz YMPIHJMTRTYJIX-UHFFFAOYSA-N 2 2 345.491 1.719 20 0 EDADLP CC[C@H](C)Oc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000594736762 449657297 /nfs/dbraw/zinc/65/72/97/449657297.db2.gz SGBXNWDFSCALQH-CWRNSKLLSA-N 2 2 347.459 1.616 20 0 EDADLP CC[C@H](C)Oc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OC ZINC000594736762 449657301 /nfs/dbraw/zinc/65/73/01/449657301.db2.gz SGBXNWDFSCALQH-CWRNSKLLSA-N 2 2 347.459 1.616 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC2 ZINC000617507716 449658695 /nfs/dbraw/zinc/65/86/95/449658695.db2.gz GWPOAYGZVAEDDI-HOCLYGCPSA-N 3 2 335.496 1.142 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000617507716 449658702 /nfs/dbraw/zinc/65/87/02/449658702.db2.gz GWPOAYGZVAEDDI-HOCLYGCPSA-N 3 2 335.496 1.142 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000599009760 449695961 /nfs/dbraw/zinc/69/59/61/449695961.db2.gz YOABXMIBJFLXEA-RDJZCZTQSA-N 2 2 347.459 1.166 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000599009760 449695968 /nfs/dbraw/zinc/69/59/68/449695968.db2.gz YOABXMIBJFLXEA-RDJZCZTQSA-N 2 2 347.459 1.166 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)c3[nH+]ccn3C)C2)CC1 ZINC000596931376 449722972 /nfs/dbraw/zinc/72/29/72/449722972.db2.gz LTYIVHRMYNGDLA-HOTGVXAUSA-N 2 2 348.495 1.291 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000599007482 449694555 /nfs/dbraw/zinc/69/45/55/449694555.db2.gz LMUFCVDWFMPNCX-WBVHZDCISA-N 2 2 347.459 1.481 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000599007482 449694559 /nfs/dbraw/zinc/69/45/59/449694559.db2.gz LMUFCVDWFMPNCX-WBVHZDCISA-N 2 2 347.459 1.481 20 0 EDADLP CCOC(=O)CCc1cc(NCCC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000601109558 449695399 /nfs/dbraw/zinc/69/53/99/449695399.db2.gz RWVSTHDXVJJORO-UHFFFAOYSA-N 2 2 334.464 2.425 20 0 EDADLP Cc1cccn2c(C[NH2+][C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)c[nH+]c12 ZINC000608075602 449742694 /nfs/dbraw/zinc/74/26/94/449742694.db2.gz NOUGLVKHTJCJOR-CZUORRHYSA-N 2 2 338.415 1.660 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)[nH+]c12 ZINC000608150386 449765229 /nfs/dbraw/zinc/76/52/29/449765229.db2.gz QQHAVNJNWRCFNJ-QGZVFWFLSA-N 2 2 342.443 1.508 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)cc(Cl)c1O ZINC000617765251 449826413 /nfs/dbraw/zinc/82/64/13/449826413.db2.gz YOVYVHUGCSEKCY-UHFFFAOYSA-N 2 2 331.819 1.798 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)cc(Cl)c1O ZINC000617765251 449826418 /nfs/dbraw/zinc/82/64/18/449826418.db2.gz YOVYVHUGCSEKCY-UHFFFAOYSA-N 2 2 331.819 1.798 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000617765862 449826559 /nfs/dbraw/zinc/82/65/59/449826559.db2.gz TWHAZXWVDZMCKV-SFHVURJKSA-N 2 2 333.476 1.804 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc([C@H]2CCOC2)c1 ZINC000617765862 449826564 /nfs/dbraw/zinc/82/65/64/449826564.db2.gz TWHAZXWVDZMCKV-SFHVURJKSA-N 2 2 333.476 1.804 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000617765907 449829442 /nfs/dbraw/zinc/82/94/42/449829442.db2.gz VOWQDMAIAMFFJC-QGZVFWFLSA-N 3 2 338.540 1.641 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000617765907 449829446 /nfs/dbraw/zinc/82/94/46/449829446.db2.gz VOWQDMAIAMFFJC-QGZVFWFLSA-N 3 2 338.540 1.641 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617765907 449829452 /nfs/dbraw/zinc/82/94/52/449829452.db2.gz VOWQDMAIAMFFJC-QGZVFWFLSA-N 3 2 338.540 1.641 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617765907 449829456 /nfs/dbraw/zinc/82/94/56/449829456.db2.gz VOWQDMAIAMFFJC-QGZVFWFLSA-N 3 2 338.540 1.641 20 0 EDADLP C[C@H](Oc1cccc(F)c1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767977 449833909 /nfs/dbraw/zinc/83/39/09/449833909.db2.gz KGEYGFCDFURXTR-AWEZNQCLSA-N 2 2 325.428 1.593 20 0 EDADLP C[C@H](Oc1cccc(F)c1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767977 449833916 /nfs/dbraw/zinc/83/39/16/449833916.db2.gz KGEYGFCDFURXTR-AWEZNQCLSA-N 2 2 325.428 1.593 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)S1 ZINC000608438700 449839959 /nfs/dbraw/zinc/83/99/59/449839959.db2.gz FTLKMAPYOONNAO-ZNMIVQPWSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)S1 ZINC000608438700 449839963 /nfs/dbraw/zinc/83/99/63/449839963.db2.gz FTLKMAPYOONNAO-ZNMIVQPWSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@]1(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000612862246 449915552 /nfs/dbraw/zinc/91/55/52/449915552.db2.gz GOYSVWMKFULQNL-BBRMVZONSA-N 2 2 338.477 1.173 20 0 EDADLP CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959304 449957335 /nfs/dbraw/zinc/95/73/35/449957335.db2.gz JHCWGRFRDNORGC-LFDJNIOPSA-N 2 2 349.519 1.674 20 0 EDADLP CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612959304 449957340 /nfs/dbraw/zinc/95/73/40/449957340.db2.gz JHCWGRFRDNORGC-LFDJNIOPSA-N 2 2 349.519 1.674 20 0 EDADLP CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959309 449957378 /nfs/dbraw/zinc/95/73/78/449957378.db2.gz JHCWGRFRDNORGC-XCDZQEORSA-N 2 2 349.519 1.674 20 0 EDADLP CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612959309 449957384 /nfs/dbraw/zinc/95/73/84/449957384.db2.gz JHCWGRFRDNORGC-XCDZQEORSA-N 2 2 349.519 1.674 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612964061 449960455 /nfs/dbraw/zinc/96/04/55/449960455.db2.gz OQVHQRKYZLTDCN-CVEARBPZSA-N 2 2 339.443 1.951 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000609257620 449983845 /nfs/dbraw/zinc/98/38/45/449983845.db2.gz AYFMNOGZOOTPKK-MRXNPFEDSA-N 2 2 348.447 1.322 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000609257620 449983850 /nfs/dbraw/zinc/98/38/50/449983850.db2.gz AYFMNOGZOOTPKK-MRXNPFEDSA-N 2 2 348.447 1.322 20 0 EDADLP CN(C(=O)CCc1nccs1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477329 450000654 /nfs/dbraw/zinc/00/06/54/450000654.db2.gz QQETUJVSNHQEAG-HNNXBMFYSA-N 2 2 336.505 1.703 20 0 EDADLP CN(C(=O)CCc1nccs1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477329 450000658 /nfs/dbraw/zinc/00/06/58/450000658.db2.gz QQETUJVSNHQEAG-HNNXBMFYSA-N 2 2 336.505 1.703 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000613209751 450080642 /nfs/dbraw/zinc/08/06/42/450080642.db2.gz HABXUHPUBPEIPG-BHIYHBOVSA-N 3 2 342.487 1.043 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000595377173 450091041 /nfs/dbraw/zinc/09/10/41/450091041.db2.gz LJDOPKVSIIFBAH-ZIAGYGMSSA-N 2 2 334.420 1.143 20 0 EDADLP COC(=O)c1ccoc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250415 450163470 /nfs/dbraw/zinc/16/34/70/450163470.db2.gz GLJYZZMPDKBHDY-HNNXBMFYSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1ccoc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000610250415 450163477 /nfs/dbraw/zinc/16/34/77/450163477.db2.gz GLJYZZMPDKBHDY-HNNXBMFYSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)C[C@](C)([NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1cccc(F)c1 ZINC000595483818 450176488 /nfs/dbraw/zinc/17/64/88/450176488.db2.gz MYZHAHDELBFRGW-WMZOPIPTSA-N 2 2 340.439 1.895 20 0 EDADLP COC(=O)C[C@](C)([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1cccc(F)c1 ZINC000595483818 450176494 /nfs/dbraw/zinc/17/64/94/450176494.db2.gz MYZHAHDELBFRGW-WMZOPIPTSA-N 2 2 340.439 1.895 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC(=O)NCc1ccccc1)C2 ZINC000595505575 450192659 /nfs/dbraw/zinc/19/26/59/450192659.db2.gz WHCUUIPIVDJKDB-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC(=O)NCc1ccccc1)C2 ZINC000595505575 450192665 /nfs/dbraw/zinc/19/26/65/450192665.db2.gz WHCUUIPIVDJKDB-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC(=O)NCc1ccccc1)C2 ZINC000595505575 450192670 /nfs/dbraw/zinc/19/26/70/450192670.db2.gz WHCUUIPIVDJKDB-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC(=O)NCc1ccccc1)C2 ZINC000595505575 450192675 /nfs/dbraw/zinc/19/26/75/450192675.db2.gz WHCUUIPIVDJKDB-LJQANCHMSA-N 2 2 344.459 1.430 20 0 EDADLP CN(C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1c[nH+]cn1C ZINC000622703882 450282523 /nfs/dbraw/zinc/28/25/23/450282523.db2.gz DJLHWXLLMAVERY-INIZCTEOSA-N 2 2 333.411 1.862 20 0 EDADLP CSC[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613861679 450341248 /nfs/dbraw/zinc/34/12/48/450341248.db2.gz YRIWVWUEWBLSCX-ZFWWWQNUSA-N 2 2 328.526 1.548 20 0 EDADLP CSC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613861679 450341253 /nfs/dbraw/zinc/34/12/53/450341253.db2.gz YRIWVWUEWBLSCX-ZFWWWQNUSA-N 2 2 328.526 1.548 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000619897622 450365224 /nfs/dbraw/zinc/36/52/24/450365224.db2.gz DVCLMJVKQLHFIP-NCOADZHNSA-N 2 2 325.497 1.721 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000619897622 450365230 /nfs/dbraw/zinc/36/52/30/450365230.db2.gz DVCLMJVKQLHFIP-NCOADZHNSA-N 2 2 325.497 1.721 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000619902574 450368818 /nfs/dbraw/zinc/36/88/18/450368818.db2.gz KYFKAYXQZOGPAR-INIZCTEOSA-N 2 2 332.448 1.128 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000619902574 450368822 /nfs/dbraw/zinc/36/88/22/450368822.db2.gz KYFKAYXQZOGPAR-INIZCTEOSA-N 2 2 332.448 1.128 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000625869677 450524881 /nfs/dbraw/zinc/52/48/81/450524881.db2.gz BGDCBKYVQOZPJV-JSGCOSHPSA-N 2 2 333.436 1.489 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CCC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000623716993 450571006 /nfs/dbraw/zinc/57/10/06/450571006.db2.gz FVQSVRXRVINYFM-CQSZACIVSA-N 2 2 334.468 1.714 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)C1CCCCC1 ZINC000623614097 450551815 /nfs/dbraw/zinc/55/18/15/450551815.db2.gz NDSGRKZEWRRWCW-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)C1CCCCC1 ZINC000623614097 450551817 /nfs/dbraw/zinc/55/18/17/450551817.db2.gz NDSGRKZEWRRWCW-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000620917164 450561332 /nfs/dbraw/zinc/56/13/32/450561332.db2.gz BYYULWRVGDGAMG-GDBMZVCRSA-N 2 2 334.464 1.690 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000623687581 450565903 /nfs/dbraw/zinc/56/59/03/450565903.db2.gz GUYZBSAMMFGWMM-WMZOPIPTSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000623687581 450565905 /nfs/dbraw/zinc/56/59/05/450565905.db2.gz GUYZBSAMMFGWMM-WMZOPIPTSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@H]1COCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000623687581 450565907 /nfs/dbraw/zinc/56/59/07/450565907.db2.gz GUYZBSAMMFGWMM-WMZOPIPTSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](CCNC(=O)NC[C@H]1COCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000623687581 450565908 /nfs/dbraw/zinc/56/59/08/450565908.db2.gz GUYZBSAMMFGWMM-WMZOPIPTSA-N 2 2 348.491 1.527 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000621109407 450582589 /nfs/dbraw/zinc/58/25/89/450582589.db2.gz VNULTJSTUNTNFN-HKUYNNGSSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000621109407 450582592 /nfs/dbraw/zinc/58/25/92/450582592.db2.gz VNULTJSTUNTNFN-HKUYNNGSSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000621109407 450582595 /nfs/dbraw/zinc/58/25/95/450582595.db2.gz VNULTJSTUNTNFN-HKUYNNGSSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000621109407 450582598 /nfs/dbraw/zinc/58/25/98/450582598.db2.gz VNULTJSTUNTNFN-HKUYNNGSSA-N 2 2 349.519 1.868 20 0 EDADLP O[C@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCCCC1 ZINC000623858220 450616671 /nfs/dbraw/zinc/61/66/71/450616671.db2.gz FYCOQCBGQMAWNY-CQSZACIVSA-N 2 2 325.416 2.141 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000621014069 450573287 /nfs/dbraw/zinc/57/32/87/450573287.db2.gz ASWBUQNDUXDBDM-UHFFFAOYSA-N 2 2 330.476 1.985 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000633069097 450657239 /nfs/dbraw/zinc/65/72/39/450657239.db2.gz GQSPHQYLVCUHCS-ROUUACIJSA-N 2 2 340.427 1.082 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000633069097 450657243 /nfs/dbraw/zinc/65/72/43/450657243.db2.gz GQSPHQYLVCUHCS-ROUUACIJSA-N 2 2 340.427 1.082 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631574595 450661573 /nfs/dbraw/zinc/66/15/73/450661573.db2.gz IYMGUUYYTVBSAN-XSLAGTTESA-N 2 2 349.519 1.866 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631574595 450661579 /nfs/dbraw/zinc/66/15/79/450661579.db2.gz IYMGUUYYTVBSAN-XSLAGTTESA-N 2 2 349.519 1.866 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631574420 450662286 /nfs/dbraw/zinc/66/22/86/450662286.db2.gz FDKGZQJMZAUEEJ-ROUUACIJSA-N 2 2 330.476 1.991 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631574420 450662290 /nfs/dbraw/zinc/66/22/90/450662290.db2.gz FDKGZQJMZAUEEJ-ROUUACIJSA-N 2 2 330.476 1.991 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCSC1 ZINC000631617301 450679651 /nfs/dbraw/zinc/67/96/51/450679651.db2.gz SUIMMHVNQNIZIS-GOSISDBHSA-N 2 2 344.484 1.968 20 0 EDADLP C[NH+](C)[C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1cccs1 ZINC000631656741 450698492 /nfs/dbraw/zinc/69/84/92/450698492.db2.gz VVKPCRISWAOUJH-GFCCVEGCSA-N 2 2 331.507 1.364 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2ccccc21 ZINC000624087104 450701326 /nfs/dbraw/zinc/70/13/26/450701326.db2.gz HYWALUFLHKVAGZ-AEFFLSMTSA-N 2 2 344.459 1.414 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2ccccc21 ZINC000624087104 450701331 /nfs/dbraw/zinc/70/13/31/450701331.db2.gz HYWALUFLHKVAGZ-AEFFLSMTSA-N 2 2 344.459 1.414 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000631690409 450716886 /nfs/dbraw/zinc/71/68/86/450716886.db2.gz FISOZWUXORXLBQ-UHFFFAOYSA-N 2 2 339.505 1.128 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000629535784 450727595 /nfs/dbraw/zinc/72/75/95/450727595.db2.gz DPZIBNVBCSPQCS-UMVBOHGHSA-N 2 2 325.478 1.728 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCN1CCCc1ccccc1 ZINC000629562207 450737894 /nfs/dbraw/zinc/73/78/94/450737894.db2.gz BODWIVYTRAICML-MOPGFXCFSA-N 2 2 345.487 1.266 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000629580561 450747934 /nfs/dbraw/zinc/74/79/34/450747934.db2.gz UVDICJSCOCUSQA-YQQAZPJKSA-N 2 2 331.460 1.399 20 0 EDADLP COc1ccc(-c2nnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)s2)cc1 ZINC000629606791 450760239 /nfs/dbraw/zinc/76/02/39/450760239.db2.gz MKWKBSCXYLFXPB-GFCCVEGCSA-N 2 2 335.433 1.431 20 0 EDADLP C[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)C[C@H](C)[N@H+]1CCO ZINC000624256256 450767382 /nfs/dbraw/zinc/76/73/82/450767382.db2.gz JODHQKFNCLWYTD-OKILXGFUSA-N 2 2 325.416 1.774 20 0 EDADLP C[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)C[C@H](C)[N@@H+]1CCO ZINC000624256256 450767388 /nfs/dbraw/zinc/76/73/88/450767388.db2.gz JODHQKFNCLWYTD-OKILXGFUSA-N 2 2 325.416 1.774 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000635285270 450815916 /nfs/dbraw/zinc/81/59/16/450815916.db2.gz ORWDVOWGXYBDJK-UHFFFAOYSA-N 2 2 326.444 1.938 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635285270 450815920 /nfs/dbraw/zinc/81/59/20/450815920.db2.gz ORWDVOWGXYBDJK-UHFFFAOYSA-N 2 2 326.444 1.938 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)[nH+]1 ZINC000635471700 450970794 /nfs/dbraw/zinc/97/07/94/450970794.db2.gz LSLODPQHULSOCQ-HZPDHXFCSA-N 2 2 347.507 1.532 20 0 EDADLP C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[NH2+]1 ZINC000626887821 450984879 /nfs/dbraw/zinc/98/48/79/450984879.db2.gz OIJIRYFQKJNLHD-JSGCOSHPSA-N 2 2 327.388 1.068 20 0 EDADLP C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000635505722 451000885 /nfs/dbraw/zinc/00/08/85/451000885.db2.gz DCXCXYOQMROMFI-RWMBFGLXSA-N 2 2 348.369 1.602 20 0 EDADLP CN(CCOCC[NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000626927376 451011006 /nfs/dbraw/zinc/01/10/06/451011006.db2.gz MKBLARFSCUXOFU-HNNXBMFYSA-N 2 2 349.410 1.265 20 0 EDADLP Cc1cc(C2(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)on1 ZINC000635549937 451045196 /nfs/dbraw/zinc/04/51/96/451045196.db2.gz AREIABOITDRPCO-AWEZNQCLSA-N 2 2 332.448 1.299 20 0 EDADLP Cc1cc(C2(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)on1 ZINC000635549937 451045205 /nfs/dbraw/zinc/04/52/05/451045205.db2.gz AREIABOITDRPCO-AWEZNQCLSA-N 2 2 332.448 1.299 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635532591 451028946 /nfs/dbraw/zinc/02/89/46/451028946.db2.gz JXYXCDCHJUOYGC-CHWSQXEVSA-N 2 2 347.385 1.129 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)cc1 ZINC000635538751 451035481 /nfs/dbraw/zinc/03/54/81/451035481.db2.gz OTMAPWNXLIOZOX-MJGOQNOKSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)cc1 ZINC000635538751 451035483 /nfs/dbraw/zinc/03/54/83/451035483.db2.gz OTMAPWNXLIOZOX-MJGOQNOKSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000635538751 451035485 /nfs/dbraw/zinc/03/54/85/451035485.db2.gz OTMAPWNXLIOZOX-MJGOQNOKSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000635538751 451035486 /nfs/dbraw/zinc/03/54/86/451035486.db2.gz OTMAPWNXLIOZOX-MJGOQNOKSA-N 2 2 343.471 1.870 20 0 EDADLP C[C@H](CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000635559439 451057103 /nfs/dbraw/zinc/05/71/03/451057103.db2.gz RTLJMLCNPHTGEK-OLZOCXBDSA-N 2 2 347.385 1.129 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc2[nH+]1 ZINC000635610571 451102769 /nfs/dbraw/zinc/10/27/69/451102769.db2.gz FIRZDLCKNXYXHU-OAHLLOKOSA-N 2 2 328.416 1.437 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000635627899 451117407 /nfs/dbraw/zinc/11/74/07/451117407.db2.gz VLYSMDYHJVGHOS-CQSZACIVSA-N 2 2 328.416 1.992 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000635627899 451117410 /nfs/dbraw/zinc/11/74/10/451117410.db2.gz VLYSMDYHJVGHOS-CQSZACIVSA-N 2 2 328.416 1.992 20 0 EDADLP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000633955270 451122111 /nfs/dbraw/zinc/12/21/11/451122111.db2.gz QKFVJMIZSNEMOU-KRWDZBQOSA-N 2 2 347.507 1.890 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)CC2 ZINC000628159043 451162934 /nfs/dbraw/zinc/16/29/34/451162934.db2.gz GIBRFGFEUKPGPZ-JKSUJKDBSA-N 2 2 334.464 1.323 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635705766 451186340 /nfs/dbraw/zinc/18/63/40/451186340.db2.gz YDHXPMLWLYJFNI-JHNDHUHGSA-N 2 2 332.448 1.397 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635705766 451186341 /nfs/dbraw/zinc/18/63/41/451186341.db2.gz YDHXPMLWLYJFNI-JHNDHUHGSA-N 2 2 332.448 1.397 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000635710135 451188614 /nfs/dbraw/zinc/18/86/14/451188614.db2.gz ISMWHMAGGFMTHD-QWHCGFSZSA-N 2 2 348.369 1.340 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC000635710686 451189927 /nfs/dbraw/zinc/18/99/27/451189927.db2.gz GASRSLBWXUXVQL-MRXNPFEDSA-N 2 2 346.475 1.892 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC000635710686 451189930 /nfs/dbraw/zinc/18/99/30/451189930.db2.gz GASRSLBWXUXVQL-MRXNPFEDSA-N 2 2 346.475 1.892 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000635731476 451203602 /nfs/dbraw/zinc/20/36/02/451203602.db2.gz RNMPRWQLGKXZRK-GOSISDBHSA-N 2 2 338.455 1.951 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000635731476 451203605 /nfs/dbraw/zinc/20/36/05/451203605.db2.gz RNMPRWQLGKXZRK-GOSISDBHSA-N 2 2 338.455 1.951 20 0 EDADLP Cn1cc(CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)nn1 ZINC000625217026 451221087 /nfs/dbraw/zinc/22/10/87/451221087.db2.gz LZAXGKDZHAFABZ-UHFFFAOYSA-N 2 2 328.464 1.392 20 0 EDADLP Cn1cc(CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)nn1 ZINC000625217026 451221090 /nfs/dbraw/zinc/22/10/90/451221090.db2.gz LZAXGKDZHAFABZ-UHFFFAOYSA-N 2 2 328.464 1.392 20 0 EDADLP CNC(=O)CCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194766 451231404 /nfs/dbraw/zinc/23/14/04/451231404.db2.gz YRNQPSMNBPGUPX-UHFFFAOYSA-N 2 2 333.436 1.078 20 0 EDADLP CON1CCC(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC000634195375 451232212 /nfs/dbraw/zinc/23/22/12/451232212.db2.gz ZJLMPLLKKNSGSW-UHFFFAOYSA-N 2 2 347.463 1.435 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCc4n[nH]cc4C3)c2)CC1 ZINC000634196243 451233520 /nfs/dbraw/zinc/23/35/20/451233520.db2.gz QVYLTIWARATJKZ-CYBMUJFWSA-N 2 2 340.431 1.300 20 0 EDADLP C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C1CCOCC1 ZINC000634196282 451234435 /nfs/dbraw/zinc/23/44/35/451234435.db2.gz SKUHGZWNNORYJZ-CQSZACIVSA-N 2 2 332.448 1.835 20 0 EDADLP OCCCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000638119042 451286118 /nfs/dbraw/zinc/28/61/18/451286118.db2.gz HHMXBMRTJQIHNW-SFHVURJKSA-N 2 2 348.487 1.992 20 0 EDADLP OCCCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000638119042 451286123 /nfs/dbraw/zinc/28/61/23/451286123.db2.gz HHMXBMRTJQIHNW-SFHVURJKSA-N 2 2 348.487 1.992 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+]1CCCCCC1 ZINC000636524396 451267317 /nfs/dbraw/zinc/26/73/17/451267317.db2.gz LYNRXWNEHKLPRB-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+]1CCCCCC1 ZINC000636524396 451267323 /nfs/dbraw/zinc/26/73/23/451267323.db2.gz LYNRXWNEHKLPRB-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634304379 451287724 /nfs/dbraw/zinc/28/77/24/451287724.db2.gz DWJSQHZAXCJREM-UHFFFAOYSA-N 2 2 331.445 1.456 20 0 EDADLP C[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1nc[nH]n1 ZINC000638132308 451303564 /nfs/dbraw/zinc/30/35/64/451303564.db2.gz NPQRYQKKXCFFMD-CQSZACIVSA-N 2 2 342.447 1.366 20 0 EDADLP C[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1nnc[nH]1 ZINC000638132308 451303569 /nfs/dbraw/zinc/30/35/69/451303569.db2.gz NPQRYQKKXCFFMD-CQSZACIVSA-N 2 2 342.447 1.366 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000635862794 451309146 /nfs/dbraw/zinc/30/91/46/451309146.db2.gz JFHGZQLTKMSDMK-QZTJIDSGSA-N 2 2 333.451 1.806 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000635862794 451309152 /nfs/dbraw/zinc/30/91/52/451309152.db2.gz JFHGZQLTKMSDMK-QZTJIDSGSA-N 2 2 333.451 1.806 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640446207 451322628 /nfs/dbraw/zinc/32/26/28/451322628.db2.gz SVZOKWCPDDLNTQ-HNNXBMFYSA-N 2 2 325.416 1.579 20 0 EDADLP CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630720568 451359999 /nfs/dbraw/zinc/35/99/99/451359999.db2.gz IDIUHENWRKZGIB-UHFFFAOYSA-N 2 2 341.415 1.017 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[C@H]1CCSC1 ZINC000640515725 451366360 /nfs/dbraw/zinc/36/63/60/451366360.db2.gz HFCGFJWTNCZAQB-ZNMIVQPWSA-N 2 2 341.521 1.039 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[C@H]1CCSC1 ZINC000640515725 451366365 /nfs/dbraw/zinc/36/63/65/451366365.db2.gz HFCGFJWTNCZAQB-ZNMIVQPWSA-N 2 2 341.521 1.039 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCCCC[NH+]1CCOCC1 ZINC000630751720 451382818 /nfs/dbraw/zinc/38/28/18/451382818.db2.gz VWCMSFBINZOOSL-UHFFFAOYSA-N 2 2 342.443 1.643 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C2)C1 ZINC000635974436 451409111 /nfs/dbraw/zinc/40/91/11/451409111.db2.gz TZPOZTLOEBJOND-GXTWGEPZSA-N 2 2 330.354 1.931 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C2)C1 ZINC000635974436 451409115 /nfs/dbraw/zinc/40/91/15/451409115.db2.gz TZPOZTLOEBJOND-GXTWGEPZSA-N 2 2 330.354 1.931 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000638324036 451433557 /nfs/dbraw/zinc/43/35/57/451433557.db2.gz MUCKZORBOPKECX-INIZCTEOSA-N 2 2 343.431 1.214 20 0 EDADLP CC(C)[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)N1CC[NH+](C)CC1 ZINC000638353695 451454027 /nfs/dbraw/zinc/45/40/27/451454027.db2.gz STYQJEHVPFQXJA-SFHVURJKSA-N 3 2 340.556 1.083 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634706454 451483572 /nfs/dbraw/zinc/48/35/72/451483572.db2.gz PNCCASLHAGZEKA-HYJFEMIMSA-N 2 2 343.471 1.222 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634706454 451483574 /nfs/dbraw/zinc/48/35/74/451483574.db2.gz PNCCASLHAGZEKA-HYJFEMIMSA-N 2 2 343.471 1.222 20 0 EDADLP COCC1(C2CC2)C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634652310 451446271 /nfs/dbraw/zinc/44/62/71/451446271.db2.gz NPFHQBQRCWSJOM-HXUWFJFHSA-N 2 2 330.472 1.982 20 0 EDADLP COCC1(C2CC2)C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634652310 451446274 /nfs/dbraw/zinc/44/62/74/451446274.db2.gz NPFHQBQRCWSJOM-HXUWFJFHSA-N 2 2 330.472 1.982 20 0 EDADLP COc1cccnc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716100 451496736 /nfs/dbraw/zinc/49/67/36/451496736.db2.gz ONXGMYFBNLYSCN-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP COc1cccnc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716100 451496740 /nfs/dbraw/zinc/49/67/40/451496740.db2.gz ONXGMYFBNLYSCN-LJQANCHMSA-N 2 2 327.428 1.817 20 0 EDADLP CCC(CC)[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[NH+]1CCOCC1 ZINC000634744873 451522215 /nfs/dbraw/zinc/52/22/15/451522215.db2.gz NVLWGUCENORPCE-QRQLOZEOSA-N 2 2 337.508 1.581 20 0 EDADLP CC[C@](C)(C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC000638453328 451523563 /nfs/dbraw/zinc/52/35/63/451523563.db2.gz BHZSXIBMTZXSOJ-GOSISDBHSA-N 2 2 334.464 1.525 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631040160 451547142 /nfs/dbraw/zinc/54/71/42/451547142.db2.gz HCZCHSNFPOMZBO-QGZVFWFLSA-N 3 2 344.459 1.772 20 0 EDADLP C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631040160 451547149 /nfs/dbraw/zinc/54/71/49/451547149.db2.gz HCZCHSNFPOMZBO-QGZVFWFLSA-N 2 2 344.459 1.772 20 0 EDADLP COc1cncc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1C ZINC000631052895 451556787 /nfs/dbraw/zinc/55/67/87/451556787.db2.gz QWDWYCWSPDLOQD-UHFFFAOYSA-N 2 2 341.459 1.835 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC000636240261 451611510 /nfs/dbraw/zinc/61/15/10/451611510.db2.gz XSWHVIXNVFDHBM-MSOLQXFVSA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC000636240261 451611513 /nfs/dbraw/zinc/61/15/13/451611513.db2.gz XSWHVIXNVFDHBM-MSOLQXFVSA-N 2 2 331.460 1.726 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246763 451661057 /nfs/dbraw/zinc/66/10/57/451661057.db2.gz IAJOVIPTILMUAP-GBESFXJTSA-N 2 2 349.519 1.676 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246763 451661061 /nfs/dbraw/zinc/66/10/61/451661061.db2.gz IAJOVIPTILMUAP-GBESFXJTSA-N 2 2 349.519 1.676 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCNC(=O)C3)[nH+]c2)CC1 ZINC000638773482 451685408 /nfs/dbraw/zinc/68/54/08/451685408.db2.gz AGPZKKMZSOKEDM-AWEZNQCLSA-N 2 2 331.464 1.693 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638787820 451691951 /nfs/dbraw/zinc/69/19/51/451691951.db2.gz ILBHYBXBKZOIRO-CYBMUJFWSA-N 2 2 329.466 1.385 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638787820 451691954 /nfs/dbraw/zinc/69/19/54/451691954.db2.gz ILBHYBXBKZOIRO-CYBMUJFWSA-N 2 2 329.466 1.385 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637049585 451697190 /nfs/dbraw/zinc/69/71/90/451697190.db2.gz BJCABTQGFHPDQR-UWWQBHOKSA-N 2 2 339.443 1.628 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637049585 451697194 /nfs/dbraw/zinc/69/71/94/451697194.db2.gz BJCABTQGFHPDQR-UWWQBHOKSA-N 2 2 339.443 1.628 20 0 EDADLP [NH3+]Cc1ccccc1OCc1cn(Cc2[nH+]ccn2C(F)F)nn1 ZINC000640953333 451702374 /nfs/dbraw/zinc/70/23/74/451702374.db2.gz JCFYVSACWWMONY-UHFFFAOYSA-N 2 2 334.330 1.956 20 0 EDADLP CCc1ccc([C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000636474356 451726897 /nfs/dbraw/zinc/72/68/97/451726897.db2.gz UGSGOHRLZGWOGB-FUHWJXTLSA-N 2 2 341.459 1.972 20 0 EDADLP c1c(C[NH2+][C@H]2CCc3ccccc32)nnn1CC[NH+]1CCOCC1 ZINC000641033495 451736109 /nfs/dbraw/zinc/73/61/09/451736109.db2.gz OAILRYQSJMMFST-SFHVURJKSA-N 2 2 327.432 1.387 20 0 EDADLP O=C(NCC[NH2+]C1CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000637297154 451784190 /nfs/dbraw/zinc/78/41/90/451784190.db2.gz DDJJHKSGJVJHEH-QPJJXVBHSA-N 2 2 328.460 1.779 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179386 451786797 /nfs/dbraw/zinc/78/67/97/451786797.db2.gz SNYVEYSTQLISPY-BXUZGUMPSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179386 451786799 /nfs/dbraw/zinc/78/67/99/451786799.db2.gz SNYVEYSTQLISPY-BXUZGUMPSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179386 451786802 /nfs/dbraw/zinc/78/68/02/451786802.db2.gz SNYVEYSTQLISPY-BXUZGUMPSA-N 2 2 345.896 1.759 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639179386 451786804 /nfs/dbraw/zinc/78/68/04/451786804.db2.gz SNYVEYSTQLISPY-BXUZGUMPSA-N 2 2 345.896 1.759 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000641221821 451787661 /nfs/dbraw/zinc/78/76/61/451787661.db2.gz JFBXUJPTPIPFMU-KRWDZBQOSA-N 2 2 335.427 1.408 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000641221821 451787663 /nfs/dbraw/zinc/78/76/63/451787663.db2.gz JFBXUJPTPIPFMU-KRWDZBQOSA-N 2 2 335.427 1.408 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NCC[NH2+]C3CC3)CC2)s1 ZINC000637362986 451800405 /nfs/dbraw/zinc/80/04/05/451800405.db2.gz MNRAYEDXAXTRPL-UHFFFAOYSA-N 2 2 336.505 1.890 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000644518572 451836849 /nfs/dbraw/zinc/83/68/49/451836849.db2.gz SQBBDBISXISWGH-LJQANCHMSA-N 3 2 342.487 1.844 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000644518572 451836852 /nfs/dbraw/zinc/83/68/52/451836852.db2.gz SQBBDBISXISWGH-LJQANCHMSA-N 3 2 342.487 1.844 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)c1ccc(F)cc1 ZINC000637439784 451856646 /nfs/dbraw/zinc/85/66/46/451856646.db2.gz BVTRDHAJUQTANF-HZPDHXFCSA-N 2 2 338.427 1.058 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)c1ccc(F)cc1 ZINC000637439784 451856655 /nfs/dbraw/zinc/85/66/55/451856655.db2.gz BVTRDHAJUQTANF-HZPDHXFCSA-N 2 2 338.427 1.058 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000646816595 451863644 /nfs/dbraw/zinc/86/36/44/451863644.db2.gz AGNOCYDJVQMPCI-MRXNPFEDSA-N 2 2 339.443 1.621 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000644579869 451874465 /nfs/dbraw/zinc/87/44/65/451874465.db2.gz USMKMMZXSCSKQO-SPUZQDLCSA-N 2 2 331.460 1.078 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000644579869 451874468 /nfs/dbraw/zinc/87/44/68/451874468.db2.gz USMKMMZXSCSKQO-SPUZQDLCSA-N 2 2 331.460 1.078 20 0 EDADLP O[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)Cn1cccn1 ZINC000644636202 451909588 /nfs/dbraw/zinc/90/95/88/451909588.db2.gz MNAQDBAKJSAZKX-YMAMQOFZSA-N 2 2 346.397 1.639 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cnn(C)c3)CC2)CC1 ZINC000637580996 451956466 /nfs/dbraw/zinc/95/64/66/451956466.db2.gz WYXIISBVIKLRHW-UHFFFAOYSA-N 2 2 334.468 1.444 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cnn(C)c3)CC2)CC1 ZINC000637580996 451956471 /nfs/dbraw/zinc/95/64/71/451956471.db2.gz WYXIISBVIKLRHW-UHFFFAOYSA-N 2 2 334.468 1.444 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788991 451965072 /nfs/dbraw/zinc/96/50/72/451965072.db2.gz KYNOVBYXORKHSS-RRQGHBQHSA-N 2 2 344.459 1.018 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788991 451965076 /nfs/dbraw/zinc/96/50/76/451965076.db2.gz KYNOVBYXORKHSS-RRQGHBQHSA-N 2 2 344.459 1.018 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1CC[C@@H](C[NH+](C)C)C1)C(F)(F)F ZINC000646956623 451968028 /nfs/dbraw/zinc/96/80/28/451968028.db2.gz UJBKEQNENGKROM-RYUDHWBXSA-N 2 2 332.370 1.866 20 0 EDADLP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cnn1C ZINC000649302275 451978990 /nfs/dbraw/zinc/97/89/90/451978990.db2.gz BLTQGRCCSCVZIR-BMFZPTHFSA-N 2 2 342.447 1.161 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[NH+]2Cc3ccccc3C2)C1(C)C ZINC000649306472 451983314 /nfs/dbraw/zinc/98/33/14/451983314.db2.gz UGCAZTVFTZUWMZ-APWZRJJASA-N 2 2 331.460 1.651 20 0 EDADLP COC[C@@]1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000649323158 452002401 /nfs/dbraw/zinc/00/24/01/452002401.db2.gz JCRKVQRGMDXASD-HNAYVOBHSA-N 2 2 347.459 1.787 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@]2(N)CC[N@H+](C)C2)c1)[NH+]1CCOCC1 ZINC000649323287 452003204 /nfs/dbraw/zinc/00/32/04/452003204.db2.gz SVWWHRQIDXLOHS-KDOFPFPSSA-N 2 2 332.448 1.051 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@]2(N)CC[N@@H+](C)C2)c1)[NH+]1CCOCC1 ZINC000649323287 452003210 /nfs/dbraw/zinc/00/32/10/452003210.db2.gz SVWWHRQIDXLOHS-KDOFPFPSSA-N 2 2 332.448 1.051 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3c(c2)CCCN3)CC1 ZINC000649343556 452024613 /nfs/dbraw/zinc/02/46/13/452024613.db2.gz GTTAZRVQFJRPKF-UHFFFAOYSA-N 2 2 330.476 1.801 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCc4cccnc43)C2)CC1 ZINC000644860069 452033799 /nfs/dbraw/zinc/03/37/99/452033799.db2.gz DVZCEUYAGBLITO-NVXWUHKLSA-N 2 2 328.460 1.396 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCc4cccnc43)C2)CC1 ZINC000644860069 452033801 /nfs/dbraw/zinc/03/38/01/452033801.db2.gz DVZCEUYAGBLITO-NVXWUHKLSA-N 2 2 328.460 1.396 20 0 EDADLP CN(C(=O)[C@H]1CCc2cccnc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644866916 452038715 /nfs/dbraw/zinc/03/87/15/452038715.db2.gz RECZZQBPVXZSOR-MSOLQXFVSA-N 2 2 342.487 1.738 20 0 EDADLP CN(C(=O)[C@H]1CCc2cccnc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644866916 452038723 /nfs/dbraw/zinc/03/87/23/452038723.db2.gz RECZZQBPVXZSOR-MSOLQXFVSA-N 2 2 342.487 1.738 20 0 EDADLP CC(C)[NH+]1CCC(N(C)c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000644934151 452071928 /nfs/dbraw/zinc/07/19/28/452071928.db2.gz BVKDHJHHAGAHJB-MRXNPFEDSA-N 2 2 333.480 1.747 20 0 EDADLP CC(C)[NH+]1CCC(N(C)c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000644934151 452071929 /nfs/dbraw/zinc/07/19/29/452071929.db2.gz BVKDHJHHAGAHJB-MRXNPFEDSA-N 2 2 333.480 1.747 20 0 EDADLP C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)C[NH+]1CCCC1 ZINC000647173064 452105795 /nfs/dbraw/zinc/10/57/95/452105795.db2.gz VERCLOWSIIXSEC-GFCCVEGCSA-N 2 2 329.441 1.295 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637833335 452107134 /nfs/dbraw/zinc/10/71/34/452107134.db2.gz RZEGMGHBCXCMEE-QZTJIDSGSA-N 2 2 326.444 1.262 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639765991 452107288 /nfs/dbraw/zinc/10/72/88/452107288.db2.gz MJESMIWHXNNRPL-UWVAXJGDSA-N 2 2 347.503 1.683 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639765991 452107294 /nfs/dbraw/zinc/10/72/94/452107294.db2.gz MJESMIWHXNNRPL-UWVAXJGDSA-N 2 2 347.503 1.683 20 0 EDADLP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768010 452109754 /nfs/dbraw/zinc/10/97/54/452109754.db2.gz XEEXCSJEGRFGBT-YOEHRIQHSA-N 2 2 339.505 1.184 20 0 EDADLP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768010 452109758 /nfs/dbraw/zinc/10/97/58/452109758.db2.gz XEEXCSJEGRFGBT-YOEHRIQHSA-N 2 2 339.505 1.184 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2n(n1)CCCC2 ZINC000647287284 452166731 /nfs/dbraw/zinc/16/67/31/452166731.db2.gz YWOAFDRMZIEILN-CRAIPNDOSA-N 2 2 347.507 1.813 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2n(n1)CCCC2 ZINC000647287284 452166739 /nfs/dbraw/zinc/16/67/39/452166739.db2.gz YWOAFDRMZIEILN-CRAIPNDOSA-N 2 2 347.507 1.813 20 0 EDADLP C[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000637930713 452178093 /nfs/dbraw/zinc/17/80/93/452178093.db2.gz SKKOJGHJSFJGDE-CYBMUJFWSA-N 2 2 345.896 1.761 20 0 EDADLP C[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000637930713 452178097 /nfs/dbraw/zinc/17/80/97/452178097.db2.gz SKKOJGHJSFJGDE-CYBMUJFWSA-N 2 2 345.896 1.761 20 0 EDADLP C[NH+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000637930713 452178103 /nfs/dbraw/zinc/17/81/03/452178103.db2.gz SKKOJGHJSFJGDE-CYBMUJFWSA-N 2 2 345.896 1.761 20 0 EDADLP C[NH+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930713 452178111 /nfs/dbraw/zinc/17/81/11/452178111.db2.gz SKKOJGHJSFJGDE-CYBMUJFWSA-N 2 2 345.896 1.761 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](n4cccn4)C3)C2)CC1 ZINC000643406858 452190288 /nfs/dbraw/zinc/19/02/88/452190288.db2.gz GWMIMRNBGHXLDJ-RDJZCZTQSA-N 2 2 346.479 1.008 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](n4cccn4)C3)C2)CC1 ZINC000643406858 452190293 /nfs/dbraw/zinc/19/02/93/452190293.db2.gz GWMIMRNBGHXLDJ-RDJZCZTQSA-N 2 2 346.479 1.008 20 0 EDADLP [NH3+]C1CCC(OCC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000645208845 452211881 /nfs/dbraw/zinc/21/18/81/452211881.db2.gz NHMYKJUZNRJUIJ-UHFFFAOYSA-N 2 2 337.489 1.679 20 0 EDADLP Cc1cc(CO)cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[nH+]1 ZINC000641717476 452216084 /nfs/dbraw/zinc/21/60/84/452216084.db2.gz BWIVLHUZLNMLAC-KRWDZBQOSA-N 2 2 334.464 1.091 20 0 EDADLP C[C@@H]1SCC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645233661 452225953 /nfs/dbraw/zinc/22/59/53/452225953.db2.gz HEFLSVYKYVCWDD-GZBFAFLISA-N 2 2 326.510 1.348 20 0 EDADLP C[C@@H]1SCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645233661 452225961 /nfs/dbraw/zinc/22/59/61/452225961.db2.gz HEFLSVYKYVCWDD-GZBFAFLISA-N 2 2 326.510 1.348 20 0 EDADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643452321 452230151 /nfs/dbraw/zinc/23/01/51/452230151.db2.gz GWATWGKXYRFCOG-ILZDJORESA-N 3 2 330.520 1.703 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000641770972 452244108 /nfs/dbraw/zinc/24/41/08/452244108.db2.gz ANFRGNZFRIXERL-KRWDZBQOSA-N 2 2 331.464 1.665 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cn21 ZINC000645267076 452244914 /nfs/dbraw/zinc/24/49/14/452244914.db2.gz BWWJKFGXQKAYEL-GJZGRUSLSA-N 2 2 329.448 1.967 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cn21 ZINC000645267076 452244922 /nfs/dbraw/zinc/24/49/22/452244922.db2.gz BWWJKFGXQKAYEL-GJZGRUSLSA-N 2 2 329.448 1.967 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657432744 452246791 /nfs/dbraw/zinc/24/67/91/452246791.db2.gz QMPAYVIMNULJDX-LJQANCHMSA-N 2 2 326.444 1.686 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657432744 452246806 /nfs/dbraw/zinc/24/68/06/452246806.db2.gz QMPAYVIMNULJDX-LJQANCHMSA-N 2 2 326.444 1.686 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000647519103 452251337 /nfs/dbraw/zinc/25/13/37/452251337.db2.gz ABZZIAWQPXSALJ-CYBMUJFWSA-N 2 2 334.489 1.418 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000647519103 452251349 /nfs/dbraw/zinc/25/13/49/452251349.db2.gz ABZZIAWQPXSALJ-CYBMUJFWSA-N 2 2 334.489 1.418 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCOC1 ZINC000641784368 452253428 /nfs/dbraw/zinc/25/34/28/452253428.db2.gz CHJNIOQALSMJCW-RCCFBDPRSA-N 2 2 325.497 1.188 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000647520105 452255531 /nfs/dbraw/zinc/25/55/31/452255531.db2.gz WBKAHOMHXWSDFD-SXLOBPIMSA-N 2 2 326.440 1.727 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000647520105 452255543 /nfs/dbraw/zinc/25/55/43/452255543.db2.gz WBKAHOMHXWSDFD-SXLOBPIMSA-N 2 2 326.440 1.727 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)sn1 ZINC000641787751 452263491 /nfs/dbraw/zinc/26/34/91/452263491.db2.gz ZQOAVOZEWZDAMN-CQSZACIVSA-N 2 2 340.493 1.038 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000645288343 452265599 /nfs/dbraw/zinc/26/55/99/452265599.db2.gz PVBCXXXEAFSMSH-WMLDXEAASA-N 2 2 344.459 1.204 20 0 EDADLP Cc1c(Br)cccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000655485564 452282318 /nfs/dbraw/zinc/28/23/18/452282318.db2.gz LZKWMIQDLAKUJA-ZDUSSCGKSA-N 2 2 328.254 1.653 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659436557 452284176 /nfs/dbraw/zinc/28/41/76/452284176.db2.gz USTWQNJAGZYORV-CGTJXYLNSA-N 2 2 346.475 1.152 20 0 EDADLP CC(=O)Nc1cccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000663568250 452287793 /nfs/dbraw/zinc/28/77/93/452287793.db2.gz MJGILXVCBVQDGC-UHFFFAOYSA-N 2 2 349.479 1.328 20 0 EDADLP CC(=O)Nc1cccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000663568250 452287802 /nfs/dbraw/zinc/28/78/02/452287802.db2.gz MJGILXVCBVQDGC-UHFFFAOYSA-N 2 2 349.479 1.328 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(N)c3)C2)CC1 ZINC000659455682 452308256 /nfs/dbraw/zinc/30/82/56/452308256.db2.gz BYLXIFMODIZSQD-MRXNPFEDSA-N 2 2 331.464 1.237 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccc(N)c3)C2)CC1 ZINC000659455682 452308269 /nfs/dbraw/zinc/30/82/69/452308269.db2.gz BYLXIFMODIZSQD-MRXNPFEDSA-N 2 2 331.464 1.237 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000652119168 452315507 /nfs/dbraw/zinc/31/55/07/452315507.db2.gz QPMNXYFRWBUQDZ-UHFFFAOYSA-N 2 2 334.464 1.316 20 0 EDADLP C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[NH2+]CCO1 ZINC000638050520 452321560 /nfs/dbraw/zinc/32/15/60/452321560.db2.gz PBCRLMUZHRAYJE-KRWDZBQOSA-N 2 2 337.851 1.363 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000638051356 452323260 /nfs/dbraw/zinc/32/32/60/452323260.db2.gz GJFQEDORXLUDRH-IEBWSBKVSA-N 2 2 331.460 1.406 20 0 EDADLP C[C@]1(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C[NH2+]CCO1 ZINC000638052854 452329419 /nfs/dbraw/zinc/32/94/19/452329419.db2.gz OESYOSAYGAUZKG-QGZVFWFLSA-N 2 2 337.851 1.363 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)CCC3C[NH2+]C3)CC2)cc1F ZINC000638055856 452341939 /nfs/dbraw/zinc/34/19/39/452341939.db2.gz ITAHTJZKEHTCEW-UHFFFAOYSA-N 2 2 335.423 1.478 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659483720 452344129 /nfs/dbraw/zinc/34/41/29/452344129.db2.gz GCOZYYHIKVYGTP-JKSUJKDBSA-N 2 2 331.464 1.619 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000638061711 452354284 /nfs/dbraw/zinc/35/42/84/452354284.db2.gz LSENVTIRZUFQEE-HOCLYGCPSA-N 2 2 334.464 1.686 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc[nH+]c2N(C)C)[C@@H](C)CO1 ZINC000663624368 452358846 /nfs/dbraw/zinc/35/88/46/452358846.db2.gz NQJLRCJLBHISFD-UONOGXRCSA-N 2 2 335.452 1.056 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc[nH+]c2N(C)C)[C@@H](C)CO1 ZINC000663624368 452358853 /nfs/dbraw/zinc/35/88/53/452358853.db2.gz NQJLRCJLBHISFD-UONOGXRCSA-N 2 2 335.452 1.056 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000643624503 452362535 /nfs/dbraw/zinc/36/25/35/452362535.db2.gz DNOGVARTDJHXFW-ZWKOTPCHSA-N 2 2 339.443 1.799 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000643624503 452362543 /nfs/dbraw/zinc/36/25/43/452362543.db2.gz DNOGVARTDJHXFW-ZWKOTPCHSA-N 2 2 339.443 1.799 20 0 EDADLP COCCOCC[NH+]1CCN(Cc2cc(OC(C)C)cc[nH+]2)CC1 ZINC000649895202 452369314 /nfs/dbraw/zinc/36/93/14/452369314.db2.gz GERRZLMMFMAAJK-UHFFFAOYSA-N 2 2 337.464 1.649 20 0 EDADLP COCCOCC[NH+]1CCN(Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000649897262 452371163 /nfs/dbraw/zinc/37/11/63/452371163.db2.gz OPKOESGKZCVXGE-UHFFFAOYSA-N 2 2 332.448 1.423 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659520577 452384002 /nfs/dbraw/zinc/38/40/02/452384002.db2.gz CKNDORRWAOQLBI-ZBFHGGJFSA-N 2 2 331.464 1.999 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659524372 452387466 /nfs/dbraw/zinc/38/74/66/452387466.db2.gz SUULUIDOPMXRFK-SJORKVTESA-N 2 2 338.496 1.258 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652197920 452394853 /nfs/dbraw/zinc/39/48/53/452394853.db2.gz PSFIUECRYIFSSW-JONQDZQNSA-N 2 2 349.479 1.892 20 0 EDADLP COC[C@]1(C(=O)NCCNc2ccc3ccccc3[nH+]2)CCCC[NH2+]1 ZINC000638080599 452399841 /nfs/dbraw/zinc/39/98/41/452399841.db2.gz WELPOAJGOILPRL-IBGZPJMESA-N 2 2 342.443 1.922 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cc2[nH+]1 ZINC000657629533 452403037 /nfs/dbraw/zinc/40/30/37/452403037.db2.gz COTIDMMWMDXHSU-OAHLLOKOSA-N 2 2 341.415 1.182 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cc2[nH+]1 ZINC000657629533 452403040 /nfs/dbraw/zinc/40/30/40/452403040.db2.gz COTIDMMWMDXHSU-OAHLLOKOSA-N 2 2 341.415 1.182 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)(F)CC2)C1 ZINC000640068985 452408527 /nfs/dbraw/zinc/40/85/27/452408527.db2.gz AKDDNKWPSSYCEB-HNNXBMFYSA-N 2 2 329.460 1.283 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)(F)CC2)C1 ZINC000640068985 452408531 /nfs/dbraw/zinc/40/85/31/452408531.db2.gz AKDDNKWPSSYCEB-HNNXBMFYSA-N 2 2 329.460 1.283 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657651053 452419052 /nfs/dbraw/zinc/41/90/52/452419052.db2.gz OIKPJNOKYAIIBG-UHFFFAOYSA-N 2 2 331.420 1.429 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657650783 452419692 /nfs/dbraw/zinc/41/96/92/452419692.db2.gz WABPJXMWULSOME-AWEZNQCLSA-N 2 2 329.404 1.182 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000657690077 452448542 /nfs/dbraw/zinc/44/85/42/452448542.db2.gz SGAASYJGDZJGGU-AWEZNQCLSA-N 2 2 343.431 1.381 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000657690077 452448551 /nfs/dbraw/zinc/44/85/51/452448551.db2.gz SGAASYJGDZJGGU-AWEZNQCLSA-N 2 2 343.431 1.381 20 0 EDADLP O=C(NCC12CC(C1)C[NH2+]2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000659615340 452473655 /nfs/dbraw/zinc/47/36/55/452473655.db2.gz LIXYXXHLHUZACJ-UHFFFAOYSA-N 2 2 331.464 1.837 20 0 EDADLP O=C(NCC12CC(C1)C[NH2+]2)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000659617067 452475662 /nfs/dbraw/zinc/47/56/62/452475662.db2.gz PDHSVKNPCSCIBS-UHFFFAOYSA-N 2 2 335.477 1.112 20 0 EDADLP O=C(NCC12CC(C1)C[NH2+]2)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000659617067 452475668 /nfs/dbraw/zinc/47/56/68/452475668.db2.gz PDHSVKNPCSCIBS-UHFFFAOYSA-N 2 2 335.477 1.112 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cn2c1 ZINC000663763280 452492604 /nfs/dbraw/zinc/49/26/04/452492604.db2.gz OSSQWUDMYATTFG-MRXNPFEDSA-N 2 2 343.431 1.259 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@H]3COCC[N@@H+]3C)ccc21 ZINC000640179146 452494508 /nfs/dbraw/zinc/49/45/08/452494508.db2.gz SBJKDGBHMGUSIN-HNNXBMFYSA-N 2 2 343.431 1.753 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@H]3COCC[N@H+]3C)ccc21 ZINC000640179146 452494517 /nfs/dbraw/zinc/49/45/17/452494517.db2.gz SBJKDGBHMGUSIN-HNNXBMFYSA-N 2 2 343.431 1.753 20 0 EDADLP c1ccc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)[nH+]c1 ZINC000655690074 452512945 /nfs/dbraw/zinc/51/29/45/452512945.db2.gz ULXYWGCKIZKCPB-GOSISDBHSA-N 3 2 330.476 1.893 20 0 EDADLP c1ccc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)nc1 ZINC000655690074 452512953 /nfs/dbraw/zinc/51/29/53/452512953.db2.gz ULXYWGCKIZKCPB-GOSISDBHSA-N 2 2 330.476 1.893 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)[C@H]2C1 ZINC000663785292 452515984 /nfs/dbraw/zinc/51/59/84/452515984.db2.gz XZIUUBZJZWPOAG-CABCVRRESA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)[C@H]2C1 ZINC000663785292 452515993 /nfs/dbraw/zinc/51/59/93/452515993.db2.gz XZIUUBZJZWPOAG-CABCVRRESA-N 2 2 331.464 1.358 20 0 EDADLP CNC(=O)c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655700941 452520965 /nfs/dbraw/zinc/52/09/65/452520965.db2.gz RGMVUUBYSBGRHI-GOSISDBHSA-N 2 2 331.460 1.779 20 0 EDADLP O=C(NC1CC1)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655701537 452522168 /nfs/dbraw/zinc/52/21/68/452522168.db2.gz GROGESBHXZAFER-LJQANCHMSA-N 2 2 343.471 1.922 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350735 452525351 /nfs/dbraw/zinc/52/53/51/452525351.db2.gz CXDZAGZGEHDOOR-IAISJRAMSA-N 2 2 330.432 1.173 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350735 452525356 /nfs/dbraw/zinc/52/53/56/452525356.db2.gz CXDZAGZGEHDOOR-IAISJRAMSA-N 2 2 330.432 1.173 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357219 452534902 /nfs/dbraw/zinc/53/49/02/452534902.db2.gz CCYQPPSLFWBOMI-BASYENTBSA-N 2 2 349.475 1.557 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)C[C@H]1C[NH3+] ZINC000652357219 452534911 /nfs/dbraw/zinc/53/49/11/452534911.db2.gz CCYQPPSLFWBOMI-BASYENTBSA-N 2 2 349.475 1.557 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccn1 ZINC000655715730 452535070 /nfs/dbraw/zinc/53/50/70/452535070.db2.gz NLAZARKHCFESTC-RDJZCZTQSA-N 2 2 334.464 1.147 20 0 EDADLP COc1ccc([C@@H](CCO)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655723820 452536491 /nfs/dbraw/zinc/53/64/91/452536491.db2.gz QATRKTNHTJKABU-IEBWSBKVSA-N 2 2 334.460 1.962 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2nnnn2-c2ccccc2)C1 ZINC000652361688 452541717 /nfs/dbraw/zinc/54/17/17/452541717.db2.gz MLMDKZCRTBYOGQ-DJIMGWMZSA-N 2 2 342.447 1.523 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nnnn2-c2ccccc2)C1 ZINC000652361688 452541723 /nfs/dbraw/zinc/54/17/23/452541723.db2.gz MLMDKZCRTBYOGQ-DJIMGWMZSA-N 2 2 342.447 1.523 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647814366 452544180 /nfs/dbraw/zinc/54/41/80/452544180.db2.gz KSPWNQURPNQEIG-UHFFFAOYSA-N 2 2 347.459 1.536 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647814366 452544190 /nfs/dbraw/zinc/54/41/90/452544190.db2.gz KSPWNQURPNQEIG-UHFFFAOYSA-N 2 2 347.459 1.536 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NC[C@@H]1COc2ccccc2O1 ZINC000647814689 452544302 /nfs/dbraw/zinc/54/43/02/452544302.db2.gz ZQADWOZJCGWJNJ-MRXNPFEDSA-N 2 2 345.443 1.159 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NC[C@@H]1COc2ccccc2O1 ZINC000647814689 452544307 /nfs/dbraw/zinc/54/43/07/452544307.db2.gz ZQADWOZJCGWJNJ-MRXNPFEDSA-N 2 2 345.443 1.159 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@@H+]1C ZINC000650150924 452555100 /nfs/dbraw/zinc/55/51/00/452555100.db2.gz BNQJZOUWMOIPIA-ZMMAXQRCSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C[N@H+]1C ZINC000650150924 452555104 /nfs/dbraw/zinc/55/51/04/452555104.db2.gz BNQJZOUWMOIPIA-ZMMAXQRCSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1C ZINC000650150924 452555108 /nfs/dbraw/zinc/55/51/08/452555108.db2.gz BNQJZOUWMOIPIA-ZMMAXQRCSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C[NH+]1C ZINC000650150924 452555113 /nfs/dbraw/zinc/55/51/13/452555113.db2.gz BNQJZOUWMOIPIA-ZMMAXQRCSA-N 2 2 345.487 1.827 20 0 EDADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000652370956 452559623 /nfs/dbraw/zinc/55/96/23/452559623.db2.gz YHSLMPXFBKGLFI-QGZVFWFLSA-N 2 2 345.491 1.666 20 0 EDADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000652370956 452559629 /nfs/dbraw/zinc/55/96/29/452559629.db2.gz YHSLMPXFBKGLFI-QGZVFWFLSA-N 2 2 345.491 1.666 20 0 EDADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000652370956 452559640 /nfs/dbraw/zinc/55/96/40/452559640.db2.gz YHSLMPXFBKGLFI-QGZVFWFLSA-N 3 2 345.491 1.666 20 0 EDADLP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000652370956 452559647 /nfs/dbraw/zinc/55/96/47/452559647.db2.gz YHSLMPXFBKGLFI-QGZVFWFLSA-N 3 2 345.491 1.666 20 0 EDADLP O=C1NCCc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc21 ZINC000655753973 452560472 /nfs/dbraw/zinc/56/04/72/452560472.db2.gz HYWNJOXFLXXJAN-KRWDZBQOSA-N 2 2 329.444 1.315 20 0 EDADLP CNC(=O)C[C@@]1(O)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000643755713 452583527 /nfs/dbraw/zinc/58/35/27/452583527.db2.gz AKKYKITVJDPVJU-SFHVURJKSA-N 2 2 328.416 1.335 20 0 EDADLP CNC(=O)C[C@@]1(O)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000643755713 452583536 /nfs/dbraw/zinc/58/35/36/452583536.db2.gz AKKYKITVJDPVJU-SFHVURJKSA-N 2 2 328.416 1.335 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657884601 452589491 /nfs/dbraw/zinc/58/94/91/452589491.db2.gz WNUUEJAFQOVSGC-UHFFFAOYSA-N 2 2 345.447 1.772 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655830173 452602575 /nfs/dbraw/zinc/60/25/75/452602575.db2.gz UAZKTKFOGZBVDT-UWWQBHOKSA-N 2 2 325.460 1.783 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655830173 452602582 /nfs/dbraw/zinc/60/25/82/452602582.db2.gz UAZKTKFOGZBVDT-UWWQBHOKSA-N 2 2 325.460 1.783 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(F)(F)F ZINC000655915280 452674078 /nfs/dbraw/zinc/67/40/78/452674078.db2.gz SZHVVOATNIGHNI-GFCCVEGCSA-N 2 2 345.300 1.700 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647940434 452680816 /nfs/dbraw/zinc/68/08/16/452680816.db2.gz YVGUXCSGCMIWHZ-CABCVRRESA-N 2 2 335.448 1.379 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647940434 452680830 /nfs/dbraw/zinc/68/08/30/452680830.db2.gz YVGUXCSGCMIWHZ-CABCVRRESA-N 2 2 335.448 1.379 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000647940285 452682815 /nfs/dbraw/zinc/68/28/15/452682815.db2.gz SGFFRHQRMRQFFI-GZBFAFLISA-N 2 2 333.432 1.844 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC[C@H]1[NH3+] ZINC000647940285 452682821 /nfs/dbraw/zinc/68/28/21/452682821.db2.gz SGFFRHQRMRQFFI-GZBFAFLISA-N 2 2 333.432 1.844 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC000647950504 452693802 /nfs/dbraw/zinc/69/38/02/452693802.db2.gz WYFQGZBJLCWQFC-SJORKVTESA-N 2 2 330.476 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC000647950504 452693809 /nfs/dbraw/zinc/69/38/09/452693809.db2.gz WYFQGZBJLCWQFC-SJORKVTESA-N 2 2 330.476 1.814 20 0 EDADLP CN1C[C@H]([N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949318 452695072 /nfs/dbraw/zinc/69/50/72/452695072.db2.gz JDGQAJKLUHHCPJ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CN1C[C@H]([N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949318 452695078 /nfs/dbraw/zinc/69/50/78/452695078.db2.gz JDGQAJKLUHHCPJ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CN1C[C@H]([NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949318 452695084 /nfs/dbraw/zinc/69/50/84/452695084.db2.gz JDGQAJKLUHHCPJ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CN1C[C@H]([NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949318 452695094 /nfs/dbraw/zinc/69/50/94/452695094.db2.gz JDGQAJKLUHHCPJ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000647971717 452715353 /nfs/dbraw/zinc/71/53/53/452715353.db2.gz URQXPJFVIRAZGW-LUKYLMHMSA-N 2 2 338.471 1.815 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000647971717 452715357 /nfs/dbraw/zinc/71/53/57/452715357.db2.gz URQXPJFVIRAZGW-LUKYLMHMSA-N 2 2 338.471 1.815 20 0 EDADLP CN1CCOc2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000666251014 452718917 /nfs/dbraw/zinc/71/89/17/452718917.db2.gz DKTPCQNKNWZQIA-UHFFFAOYSA-N 2 2 349.479 1.520 20 0 EDADLP CN1CCOc2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000666251014 452718923 /nfs/dbraw/zinc/71/89/23/452718923.db2.gz DKTPCQNKNWZQIA-UHFFFAOYSA-N 2 2 349.479 1.520 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659910217 452799324 /nfs/dbraw/zinc/79/93/24/452799324.db2.gz OELLVOKCTCFVEM-ZSYWTGECSA-N 2 2 348.535 1.536 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659910217 452799332 /nfs/dbraw/zinc/79/93/32/452799332.db2.gz OELLVOKCTCFVEM-ZSYWTGECSA-N 2 2 348.535 1.536 20 0 EDADLP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000658296341 452835516 /nfs/dbraw/zinc/83/55/16/452835516.db2.gz RQSHRSCLEISMMO-SJORKVTESA-N 2 2 332.444 1.842 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000648132229 452846284 /nfs/dbraw/zinc/84/62/84/452846284.db2.gz URGKSXWLYMMQDW-KGLIPLIRSA-N 2 2 330.436 1.303 20 0 EDADLP CC(C)([NH3+])CC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000648154913 452865055 /nfs/dbraw/zinc/86/50/55/452865055.db2.gz JENBJGCKQVHHIX-UHFFFAOYSA-N 2 2 341.459 1.644 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)CC1 ZINC000648164595 452873222 /nfs/dbraw/zinc/87/32/22/452873222.db2.gz VZOALOHURKWWMK-NXHRZFHOSA-N 2 2 342.443 1.040 20 0 EDADLP Cc1c[nH+]c(C)nc1N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000656120185 452875423 /nfs/dbraw/zinc/87/54/23/452875423.db2.gz GUUSORFTUOJPJW-UHFFFAOYSA-N 2 2 326.448 1.877 20 0 EDADLP CN(C(=O)N[C@H]1CCOC1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656121608 452877739 /nfs/dbraw/zinc/87/77/39/452877739.db2.gz KEDADOFANKEGEX-HOTGVXAUSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)N[C@H]1CCOC1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656121608 452877744 /nfs/dbraw/zinc/87/77/44/452877744.db2.gz KEDADOFANKEGEX-HOTGVXAUSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000648174572 452884755 /nfs/dbraw/zinc/88/47/55/452884755.db2.gz OEQSAAQIUHAPBR-HUUCEWRRSA-N 2 2 332.448 1.660 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3ccn(CC[NH+](C)C)n3)[nH+]c12 ZINC000654759431 452890387 /nfs/dbraw/zinc/89/03/87/452890387.db2.gz UZCXMESDBPUFGV-UHFFFAOYSA-N 2 2 326.404 1.331 20 0 EDADLP COc1c(C)[nH+]cnc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000664238161 452913813 /nfs/dbraw/zinc/91/38/13/452913813.db2.gz XLYBBAYVTQPPNM-MRXNPFEDSA-N 2 2 328.416 1.972 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000645966431 452950217 /nfs/dbraw/zinc/95/02/17/452950217.db2.gz XNPJXACZYOPEBF-KRWDZBQOSA-N 2 2 341.521 1.183 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000645966431 452950226 /nfs/dbraw/zinc/95/02/26/452950226.db2.gz XNPJXACZYOPEBF-KRWDZBQOSA-N 2 2 341.521 1.183 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)C(C)C ZINC000664285272 452965919 /nfs/dbraw/zinc/96/59/19/452965919.db2.gz FIVDILCJBRXOIA-DLBZAZTESA-N 2 2 342.528 1.904 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)C(C)C ZINC000664285272 452965924 /nfs/dbraw/zinc/96/59/24/452965924.db2.gz FIVDILCJBRXOIA-DLBZAZTESA-N 2 2 342.528 1.904 20 0 EDADLP C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662263110 452994719 /nfs/dbraw/zinc/99/47/19/452994719.db2.gz KUEPZYNKDIFOCA-GJZGRUSLSA-N 2 2 346.500 1.963 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656278171 453005487 /nfs/dbraw/zinc/00/54/87/453005487.db2.gz PPLFDAGYWGSHKX-IRXDYDNUSA-N 2 2 327.428 1.889 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656278171 453005493 /nfs/dbraw/zinc/00/54/93/453005493.db2.gz PPLFDAGYWGSHKX-IRXDYDNUSA-N 2 2 327.428 1.889 20 0 EDADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C[C@H]1C[NH2+]CCO1 ZINC000662281076 453005646 /nfs/dbraw/zinc/00/56/46/453005646.db2.gz SIUSZDCTKNVTMN-PWIZWCRZSA-N 2 2 346.519 1.911 20 0 EDADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C[C@H]1C[NH2+]CCO1 ZINC000662281076 453005653 /nfs/dbraw/zinc/00/56/53/453005653.db2.gz SIUSZDCTKNVTMN-PWIZWCRZSA-N 2 2 346.519 1.911 20 0 EDADLP Cc1cnc([C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000664335413 453012261 /nfs/dbraw/zinc/01/22/61/453012261.db2.gz UTMLNYUFWASDRA-ZDUSSCGKSA-N 2 2 327.498 1.695 20 0 EDADLP Cc1cnc([C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664335413 453012275 /nfs/dbraw/zinc/01/22/75/453012275.db2.gz UTMLNYUFWASDRA-ZDUSSCGKSA-N 2 2 327.498 1.695 20 0 EDADLP FC(F)(F)Cn1nnnc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294680 453015885 /nfs/dbraw/zinc/01/58/85/453015885.db2.gz RTIMZPDBJUBZCQ-GFCCVEGCSA-N 2 2 332.374 1.447 20 0 EDADLP FC(F)(F)Cn1nnnc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294680 453015894 /nfs/dbraw/zinc/01/58/94/453015894.db2.gz RTIMZPDBJUBZCQ-GFCCVEGCSA-N 2 2 332.374 1.447 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)C[N@@H+]1C1CC1 ZINC000664366588 453037861 /nfs/dbraw/zinc/03/78/61/453037861.db2.gz AJPCKYGOHGPSGY-UMVBOHGHSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)C[N@H+]1C1CC1 ZINC000664366588 453037868 /nfs/dbraw/zinc/03/78/68/453037868.db2.gz AJPCKYGOHGPSGY-UMVBOHGHSA-N 2 2 349.479 1.404 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@]4(CC4(F)F)C3)C2)CC1 ZINC000650876910 453078126 /nfs/dbraw/zinc/07/81/26/453078126.db2.gz JLCXYHWVDFTQAZ-CZUORRHYSA-N 2 2 342.434 1.596 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@]4(CC4(F)F)C3)C2)CC1 ZINC000650876910 453078137 /nfs/dbraw/zinc/07/81/37/453078137.db2.gz JLCXYHWVDFTQAZ-CZUORRHYSA-N 2 2 342.434 1.596 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000666734438 453104165 /nfs/dbraw/zinc/10/41/65/453104165.db2.gz QQGYFVGGWKTLOP-CQSZACIVSA-N 2 2 347.463 1.323 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCCN(c3ccccc3)C1=O)CCO2 ZINC000646104812 453108955 /nfs/dbraw/zinc/10/89/55/453108955.db2.gz YRSCYEIVNVXOFA-GOSISDBHSA-N 2 2 343.471 1.979 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCCN(c3ccccc3)C1=O)CCO2 ZINC000646104812 453108962 /nfs/dbraw/zinc/10/89/62/453108962.db2.gz YRSCYEIVNVXOFA-GOSISDBHSA-N 2 2 343.471 1.979 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)nc12 ZINC000646104975 453109276 /nfs/dbraw/zinc/10/92/76/453109276.db2.gz ZQQQXPQUCLHART-UHFFFAOYSA-N 2 2 342.443 1.300 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)nc12 ZINC000646104975 453109284 /nfs/dbraw/zinc/10/92/84/453109284.db2.gz ZQQQXPQUCLHART-UHFFFAOYSA-N 2 2 342.443 1.300 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC000655051549 453172282 /nfs/dbraw/zinc/17/22/82/453172282.db2.gz NXGXFMWPKCLBSS-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC000655051549 453172290 /nfs/dbraw/zinc/17/22/90/453172290.db2.gz NXGXFMWPKCLBSS-UHFFFAOYSA-N 2 2 331.460 1.685 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000660288797 453176229 /nfs/dbraw/zinc/17/62/29/453176229.db2.gz DVRIZQMJQYOMSQ-KGLIPLIRSA-N 2 2 326.403 1.713 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000660288797 453176242 /nfs/dbraw/zinc/17/62/42/453176242.db2.gz DVRIZQMJQYOMSQ-KGLIPLIRSA-N 2 2 326.403 1.713 20 0 EDADLP C[C@H]1CCC[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000664540175 453179782 /nfs/dbraw/zinc/17/97/82/453179782.db2.gz VESQIWQUUMPOBO-GOEBONIOSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C2C[NH2+]C2)C[C@H](C)O1 ZINC000666841348 453183755 /nfs/dbraw/zinc/18/37/55/453183755.db2.gz NQEHSTZFRHYNDN-KBPBESRZSA-N 2 2 332.448 1.731 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662501702 453218210 /nfs/dbraw/zinc/21/82/10/453218210.db2.gz MRVJDJAPYFSXCG-UHFFFAOYSA-N 2 2 325.372 1.719 20 0 EDADLP C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)C[C@@H]1n1cc[nH+]c1 ZINC000666894890 453221422 /nfs/dbraw/zinc/22/14/22/453221422.db2.gz LOMITCFBNIIESQ-BBRMVZONSA-N 2 2 341.415 1.390 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000660344408 453234077 /nfs/dbraw/zinc/23/40/77/453234077.db2.gz BEJMHGBVKIACKD-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc2ccccc21 ZINC000653084602 453266414 /nfs/dbraw/zinc/26/64/14/453266414.db2.gz LTUMDTQLZZFXMA-HNNXBMFYSA-N 2 2 328.416 1.174 20 0 EDADLP CCc1noc(-c2ccc(C)c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c2)n1 ZINC000653100356 453283911 /nfs/dbraw/zinc/28/39/11/453283911.db2.gz LOPUCQUCVGCORH-CYBMUJFWSA-N 2 2 331.420 1.825 20 0 EDADLP C[NH+](C)CC[C@H](N)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000653112590 453299385 /nfs/dbraw/zinc/29/93/85/453299385.db2.gz CRQCDONEKYTADO-AWEZNQCLSA-N 2 2 331.420 1.180 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000653112590 453299390 /nfs/dbraw/zinc/29/93/90/453299390.db2.gz CRQCDONEKYTADO-AWEZNQCLSA-N 3 2 331.420 1.180 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000653121796 453312836 /nfs/dbraw/zinc/31/28/36/453312836.db2.gz BUYKCPKTMBWJRE-OFQRWUPVSA-N 3 2 338.521 1.526 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000653121796 453312851 /nfs/dbraw/zinc/31/28/51/453312851.db2.gz BUYKCPKTMBWJRE-OFQRWUPVSA-N 3 2 338.521 1.526 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)c1 ZINC000651149062 453314311 /nfs/dbraw/zinc/31/43/11/453314311.db2.gz MPHYZKYKZLOIMT-SFHVURJKSA-N 2 2 341.459 1.531 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)c1 ZINC000651149062 453314322 /nfs/dbraw/zinc/31/43/22/453314322.db2.gz MPHYZKYKZLOIMT-SFHVURJKSA-N 2 2 341.459 1.531 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1nccn1CCc1ccccc1 ZINC000653123989 453317774 /nfs/dbraw/zinc/31/77/74/453317774.db2.gz NJQCRKKPRRCVES-MRXNPFEDSA-N 2 2 329.448 1.021 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)c2)CC1 ZINC000653125082 453319884 /nfs/dbraw/zinc/31/98/84/453319884.db2.gz SDSHBRZAHMXIOG-MOPGFXCFSA-N 2 2 342.487 1.903 20 0 EDADLP Cc1ncc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C2CC2)n1 ZINC000667003577 453324839 /nfs/dbraw/zinc/32/48/39/453324839.db2.gz WYKDQTHPDOBQRW-UHFFFAOYSA-N 2 2 334.468 1.667 20 0 EDADLP Cc1ncc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C2CC2)n1 ZINC000667003577 453324846 /nfs/dbraw/zinc/32/48/46/453324846.db2.gz WYKDQTHPDOBQRW-UHFFFAOYSA-N 2 2 334.468 1.667 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660467485 453328529 /nfs/dbraw/zinc/32/85/29/453328529.db2.gz GOMFEMZYVPWQOV-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660467485 453328541 /nfs/dbraw/zinc/32/85/41/453328541.db2.gz GOMFEMZYVPWQOV-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660482591 453338116 /nfs/dbraw/zinc/33/81/16/453338116.db2.gz GLRGKBULINVGQI-MLHJIOFPSA-N 2 2 335.492 1.478 20 0 EDADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660482591 453338126 /nfs/dbraw/zinc/33/81/26/453338126.db2.gz GLRGKBULINVGQI-MLHJIOFPSA-N 2 2 335.492 1.478 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2cc(Br)ccc2C1 ZINC000653154673 453344941 /nfs/dbraw/zinc/34/49/41/453344941.db2.gz YEMFOHPIZQCUTH-CQSZACIVSA-N 2 2 340.265 1.613 20 0 EDADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCN(CC(F)(F)F)CC1 ZINC000653159464 453352899 /nfs/dbraw/zinc/35/28/99/453352899.db2.gz CUJYHZWDRXCTII-AAEUAGOBSA-N 2 2 338.418 1.044 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C[C@H](C)[N@H+]1CCO ZINC000655243686 453365256 /nfs/dbraw/zinc/36/52/56/453365256.db2.gz LGUXWDQDDQMUSW-IYBDPMFKSA-N 2 2 346.475 1.099 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)C[C@H](C)[N@@H+]1CCO ZINC000655243686 453365262 /nfs/dbraw/zinc/36/52/62/453365262.db2.gz LGUXWDQDDQMUSW-IYBDPMFKSA-N 2 2 346.475 1.099 20 0 EDADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656694327 453368643 /nfs/dbraw/zinc/36/86/43/453368643.db2.gz OFGJOJBUMNDBJJ-VQTJNVASSA-N 2 2 349.519 1.659 20 0 EDADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000656694327 453368650 /nfs/dbraw/zinc/36/86/50/453368650.db2.gz OFGJOJBUMNDBJJ-VQTJNVASSA-N 2 2 349.519 1.659 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000656697160 453373093 /nfs/dbraw/zinc/37/30/93/453373093.db2.gz NTTNNOFPXISPTR-GOSISDBHSA-N 2 2 339.524 1.848 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000656697160 453373100 /nfs/dbraw/zinc/37/31/00/453373100.db2.gz NTTNNOFPXISPTR-GOSISDBHSA-N 2 2 339.524 1.848 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662660073 453373915 /nfs/dbraw/zinc/37/39/15/453373915.db2.gz BIPWVVGSVDAXTC-ZWKOTPCHSA-N 3 2 332.492 1.041 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662660073 453373920 /nfs/dbraw/zinc/37/39/20/453373920.db2.gz BIPWVVGSVDAXTC-ZWKOTPCHSA-N 3 2 332.492 1.041 20 0 EDADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000662675671 453394953 /nfs/dbraw/zinc/39/49/53/453394953.db2.gz PHRQZBDAKUFDGF-JKSUJKDBSA-N 2 2 332.448 1.442 20 0 EDADLP C[C@H]1CCCc2ncc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n21 ZINC000651322504 453468558 /nfs/dbraw/zinc/46/85/58/453468558.db2.gz UDBIVGQIOBFZSA-LSDHHAIUSA-N 2 2 345.491 1.679 20 0 EDADLP C[C@H]1CCCc2ncc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n21 ZINC000651322504 453468566 /nfs/dbraw/zinc/46/85/66/453468566.db2.gz UDBIVGQIOBFZSA-LSDHHAIUSA-N 2 2 345.491 1.679 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nccc(C(F)F)n1 ZINC000664908424 453474810 /nfs/dbraw/zinc/47/48/10/453474810.db2.gz KZYCLDAIIDELGN-UHFFFAOYSA-N 2 2 344.410 1.097 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nccc(C(F)F)n1 ZINC000664908424 453474815 /nfs/dbraw/zinc/47/48/15/453474815.db2.gz KZYCLDAIIDELGN-UHFFFAOYSA-N 2 2 344.410 1.097 20 0 EDADLP [NH3+]C1(CC(=O)Nc2ccc3nc(CC[NH+]4CCOCC4)[nH]c3c2)CC1 ZINC000662758164 453495593 /nfs/dbraw/zinc/49/55/93/453495593.db2.gz POTRZVVEGYGVJI-UHFFFAOYSA-N 2 2 343.431 1.258 20 0 EDADLP CN1Cc2c(cccc2NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1=O ZINC000667235174 453500381 /nfs/dbraw/zinc/50/03/81/453500381.db2.gz ZYPNXWWARCLNGU-UHFFFAOYSA-N 2 2 347.463 1.277 20 0 EDADLP CN1Cc2c(cccc2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1=O ZINC000667235174 453500386 /nfs/dbraw/zinc/50/03/86/453500386.db2.gz ZYPNXWWARCLNGU-UHFFFAOYSA-N 2 2 347.463 1.277 20 0 EDADLP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646603983 453506700 /nfs/dbraw/zinc/50/67/00/453506700.db2.gz DSRCFSVSJWIXIC-SJORKVTESA-N 2 2 347.459 1.455 20 0 EDADLP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646603983 453506709 /nfs/dbraw/zinc/50/67/09/453506709.db2.gz DSRCFSVSJWIXIC-SJORKVTESA-N 2 2 347.459 1.455 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1[nH+]ccn1C ZINC000660693395 453519026 /nfs/dbraw/zinc/51/90/26/453519026.db2.gz XKYZGKRUQRXWFZ-UONOGXRCSA-N 2 2 335.452 1.281 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCOC3(C)C)C2)CC1 ZINC000660711798 453541296 /nfs/dbraw/zinc/54/12/96/453541296.db2.gz HBCHWNIRDIINGY-HUUCEWRRSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCOC3(C)C)C2)CC1 ZINC000660711798 453541303 /nfs/dbraw/zinc/54/13/03/453541303.db2.gz HBCHWNIRDIINGY-HUUCEWRRSA-N 2 2 338.496 1.269 20 0 EDADLP COc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000667328126 453560542 /nfs/dbraw/zinc/56/05/42/453560542.db2.gz DZPYHFOOYBLJMF-UHFFFAOYSA-N 2 2 347.463 1.770 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000660829850 453592470 /nfs/dbraw/zinc/59/24/70/453592470.db2.gz AURMEBVPCYIGOJ-IAGOWNOFSA-N 2 2 338.496 1.225 20 0 EDADLP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899401 453593060 /nfs/dbraw/zinc/59/30/60/453593060.db2.gz CMXJCDHRUXURKO-DLBZAZTESA-N 3 2 334.508 1.003 20 0 EDADLP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899401 453593064 /nfs/dbraw/zinc/59/30/64/453593064.db2.gz CMXJCDHRUXURKO-DLBZAZTESA-N 3 2 334.508 1.003 20 0 EDADLP CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899452 453594443 /nfs/dbraw/zinc/59/44/43/453594443.db2.gz DCXXFSOKJOQXDR-BZSNNMDCSA-N 3 2 334.508 1.144 20 0 EDADLP CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899452 453594451 /nfs/dbraw/zinc/59/44/51/453594451.db2.gz DCXXFSOKJOQXDR-BZSNNMDCSA-N 3 2 334.508 1.144 20 0 EDADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc2c(c1)OCCCO2 ZINC000665290801 453637062 /nfs/dbraw/zinc/63/70/62/453637062.db2.gz LEPSMDKAVZYWIP-LLVKDONJSA-N 2 2 330.388 1.653 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292089 453639345 /nfs/dbraw/zinc/63/93/45/453639345.db2.gz SGHPVHAPSTXGEM-CJNGLKHVSA-N 3 2 342.447 1.036 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292089 453639349 /nfs/dbraw/zinc/63/93/49/453639349.db2.gz SGHPVHAPSTXGEM-CJNGLKHVSA-N 3 2 342.447 1.036 20 0 EDADLP O=C(NCC1CC[NH+](C2CCOCC2)CC1)N1CCn2c[nH+]cc2C1 ZINC000665461054 453700486 /nfs/dbraw/zinc/70/04/86/453700486.db2.gz CIJQFQSYROQDEN-UHFFFAOYSA-N 2 2 347.463 1.299 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661110593 453718559 /nfs/dbraw/zinc/71/85/59/453718559.db2.gz VOHMNWLSUHYSJF-CGZBRXJRSA-N 2 2 336.480 1.119 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000663303528 453762695 /nfs/dbraw/zinc/76/26/95/453762695.db2.gz IFIFRCLCBUIBDI-RHSMWYFYSA-N 2 2 347.459 1.865 20 0 EDADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cnn3c2CCC3)c2ccccc2)CC1 ZINC000657344961 453770205 /nfs/dbraw/zinc/77/02/05/453770205.db2.gz FCNKCNCAOGJQKE-LJQANCHMSA-N 2 2 339.487 1.908 20 0 EDADLP Cc1ccc2cc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)[nH]c2c1 ZINC000657362337 453774858 /nfs/dbraw/zinc/77/48/58/453774858.db2.gz ACDIKKVSQUJXKV-GOSISDBHSA-N 2 2 342.487 1.972 20 0 EDADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000657366045 453776227 /nfs/dbraw/zinc/77/62/27/453776227.db2.gz BEQMAHQBLSXZAC-KZNAEPCWSA-N 2 2 337.508 1.868 20 0 EDADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000663365273 453781017 /nfs/dbraw/zinc/78/10/17/453781017.db2.gz OWSCWJNONBGNPR-IAGOWNOFSA-N 2 2 335.448 1.459 20 0 EDADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000663365273 453781019 /nfs/dbraw/zinc/78/10/19/453781019.db2.gz OWSCWJNONBGNPR-IAGOWNOFSA-N 2 2 335.448 1.459 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000663394945 453788247 /nfs/dbraw/zinc/78/82/47/453788247.db2.gz AFUMZAYNCIMEKM-ZDUSSCGKSA-N 2 2 329.404 1.263 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663446582 453800946 /nfs/dbraw/zinc/80/09/46/453800946.db2.gz PQPPSINANZKTDY-GJZGRUSLSA-N 2 2 326.485 1.268 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000663446582 453800947 /nfs/dbraw/zinc/80/09/47/453800947.db2.gz PQPPSINANZKTDY-GJZGRUSLSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)CO1 ZINC000663447689 453801147 /nfs/dbraw/zinc/80/11/47/453801147.db2.gz IQSCIMHLMFOMEZ-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)CO1 ZINC000663447689 453801150 /nfs/dbraw/zinc/80/11/50/453801150.db2.gz IQSCIMHLMFOMEZ-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(C(F)(F)F)CC3)C2)CC1 ZINC000672427441 486707707 /nfs/dbraw/zinc/70/77/07/486707707.db2.gz FLTHXLCSZCZISM-LBPRGKRZSA-N 2 2 348.413 1.797 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(C(F)(F)F)CC3)C2)CC1 ZINC000672427441 486707710 /nfs/dbraw/zinc/70/77/10/486707710.db2.gz FLTHXLCSZCZISM-LBPRGKRZSA-N 2 2 348.413 1.797 20 0 EDADLP Cc1cnn(C)c1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000667442976 486784494 /nfs/dbraw/zinc/78/44/94/486784494.db2.gz YQSYJTYTVHRBKI-XYPWUTKMSA-N 2 2 346.479 1.503 20 0 EDADLP Cc1cnn(C)c1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000667442976 486784499 /nfs/dbraw/zinc/78/44/99/486784499.db2.gz YQSYJTYTVHRBKI-XYPWUTKMSA-N 2 2 346.479 1.503 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)[C@H](C)C1 ZINC000672781515 486798846 /nfs/dbraw/zinc/79/88/46/486798846.db2.gz KNUSCBRFQHWIKW-CVEARBPZSA-N 2 2 346.475 1.099 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)[C@H](C)C1 ZINC000672781515 486798849 /nfs/dbraw/zinc/79/88/49/486798849.db2.gz KNUSCBRFQHWIKW-CVEARBPZSA-N 2 2 346.475 1.099 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667540548 486833726 /nfs/dbraw/zinc/83/37/26/486833726.db2.gz NVTQMVGJPDFHTD-CJNGLKHVSA-N 2 2 339.399 1.021 20 0 EDADLP Cn1ncc(Cl)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667642326 486895526 /nfs/dbraw/zinc/89/55/26/486895526.db2.gz XGLGHQZMDJBKHZ-UHFFFAOYSA-N 2 2 339.871 1.362 20 0 EDADLP Cc1ccn([C@H](C)CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000667641163 486893801 /nfs/dbraw/zinc/89/38/01/486893801.db2.gz JTUMRKKCIMSHIB-MRXNPFEDSA-N 2 2 347.507 1.817 20 0 EDADLP Cc1ccncc1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667641408 486893906 /nfs/dbraw/zinc/89/39/06/486893906.db2.gz RRJCRVCDZLACML-UHFFFAOYSA-N 2 2 330.476 1.607 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000667640696 486894173 /nfs/dbraw/zinc/89/41/73/486894173.db2.gz ILOIBINACWESLE-BDAKNGLRSA-N 2 2 337.371 1.031 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000667640696 486894177 /nfs/dbraw/zinc/89/41/77/486894177.db2.gz ILOIBINACWESLE-BDAKNGLRSA-N 2 2 337.371 1.031 20 0 EDADLP CN(C(=O)N[C@@H]1CCCC1(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673206788 486948208 /nfs/dbraw/zinc/94/82/08/486948208.db2.gz ZRXDXICEGZZEEV-HUUCEWRRSA-N 2 2 344.450 1.984 20 0 EDADLP CN(C(=O)N[C@@H]1CCCC1(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673206788 486948213 /nfs/dbraw/zinc/94/82/13/486948213.db2.gz ZRXDXICEGZZEEV-HUUCEWRRSA-N 2 2 344.450 1.984 20 0 EDADLP C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000681139407 486949203 /nfs/dbraw/zinc/94/92/03/486949203.db2.gz UGFRPUPOXNISOR-PBHICJAKSA-N 2 2 339.505 1.691 20 0 EDADLP CN(C(=O)N[C@@H]1CCC(F)(F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217448 486976658 /nfs/dbraw/zinc/97/66/58/486976658.db2.gz SCACJIMTWOVGIT-HIFRSBDPSA-N 2 2 344.450 1.984 20 0 EDADLP CN(C(=O)N[C@@H]1CCC(F)(F)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217448 486976664 /nfs/dbraw/zinc/97/66/64/486976664.db2.gz SCACJIMTWOVGIT-HIFRSBDPSA-N 2 2 344.450 1.984 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000681218322 486976798 /nfs/dbraw/zinc/97/67/98/486976798.db2.gz KZVDYKGJLXVRSU-GOSISDBHSA-N 2 2 343.475 1.393 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000681218322 486976802 /nfs/dbraw/zinc/97/68/02/486976802.db2.gz KZVDYKGJLXVRSU-GOSISDBHSA-N 2 2 343.475 1.393 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000677173733 486993592 /nfs/dbraw/zinc/99/35/92/486993592.db2.gz NPWBGSDNHPPFRO-HKUYNNGSSA-N 2 2 344.503 1.528 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000677173733 486993596 /nfs/dbraw/zinc/99/35/96/486993596.db2.gz NPWBGSDNHPPFRO-HKUYNNGSSA-N 2 2 344.503 1.528 20 0 EDADLP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000667862294 486994793 /nfs/dbraw/zinc/99/47/93/486994793.db2.gz RHGRXXJAVGITSA-SJLPKXTDSA-N 2 2 335.492 1.478 20 0 EDADLP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000667862294 486994799 /nfs/dbraw/zinc/99/47/99/486994799.db2.gz RHGRXXJAVGITSA-SJLPKXTDSA-N 2 2 335.492 1.478 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681550915 487083520 /nfs/dbraw/zinc/08/35/20/487083520.db2.gz GKRZIZKOIBUUAL-OAHLLOKOSA-N 2 2 348.516 1.923 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000681554577 487084989 /nfs/dbraw/zinc/08/49/89/487084989.db2.gz SSIZJWQKBMKHRU-HZPDHXFCSA-N 2 2 332.448 1.159 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673870836 487142160 /nfs/dbraw/zinc/14/21/60/487142160.db2.gz RZFRCIKONLAZSR-UHFFFAOYSA-N 2 2 333.440 1.619 20 0 EDADLP C[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000677884978 487191469 /nfs/dbraw/zinc/19/14/69/487191469.db2.gz ZCDYZMZLFUQHGF-HOTGVXAUSA-N 2 2 341.463 1.125 20 0 EDADLP C[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677905050 487197134 /nfs/dbraw/zinc/19/71/34/487197134.db2.gz JHSYNBBMJALVBJ-GDBMZVCRSA-N 2 2 345.447 1.787 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677905050 487197138 /nfs/dbraw/zinc/19/71/38/487197138.db2.gz JHSYNBBMJALVBJ-GDBMZVCRSA-N 2 2 345.447 1.787 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682004798 487277764 /nfs/dbraw/zinc/27/77/64/487277764.db2.gz MCLLNEIYNOXSOX-UHFFFAOYSA-N 2 2 344.459 1.514 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682004798 487277766 /nfs/dbraw/zinc/27/77/66/487277766.db2.gz MCLLNEIYNOXSOX-UHFFFAOYSA-N 2 2 344.459 1.514 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[NH+]1CCCC1 ZINC000685605241 487301525 /nfs/dbraw/zinc/30/15/25/487301525.db2.gz NPEJJQXXSZEEDY-HNNXBMFYSA-N 2 2 332.448 1.128 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000685781528 487322905 /nfs/dbraw/zinc/32/29/05/487322905.db2.gz SADFSKKQEUXPMM-QAPCUYQASA-N 2 2 326.444 1.930 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000685781528 487322906 /nfs/dbraw/zinc/32/29/06/487322906.db2.gz SADFSKKQEUXPMM-QAPCUYQASA-N 2 2 326.444 1.930 20 0 EDADLP c1cc(N2CCOCC2)nc(N2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000682390743 487356756 /nfs/dbraw/zinc/35/67/56/487356756.db2.gz KBZPZORDVGZMBR-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP COc1ccccc1C(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000678881301 487374875 /nfs/dbraw/zinc/37/48/75/487374875.db2.gz DPICPBWFTSOOMH-UHFFFAOYSA-N 2 2 328.416 1.740 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000682515780 487380185 /nfs/dbraw/zinc/38/01/85/487380185.db2.gz WLZFZSNLYWADOQ-ZMSDIMECSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000682515780 487380188 /nfs/dbraw/zinc/38/01/88/487380188.db2.gz WLZFZSNLYWADOQ-ZMSDIMECSA-N 2 2 328.460 1.921 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccccc1 ZINC000679314673 487412444 /nfs/dbraw/zinc/41/24/44/487412444.db2.gz HMHODFYIUHOIQM-SFHVURJKSA-N 2 2 347.503 1.985 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675766391 487442367 /nfs/dbraw/zinc/44/23/67/487442367.db2.gz KHUSMZNHBFPTOO-HOCLYGCPSA-N 2 2 337.489 1.971 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675766391 487442369 /nfs/dbraw/zinc/44/23/69/487442369.db2.gz KHUSMZNHBFPTOO-HOCLYGCPSA-N 2 2 337.489 1.971 20 0 EDADLP C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000683145517 487454654 /nfs/dbraw/zinc/45/46/54/487454654.db2.gz ASDCFUGOMNWUQS-DNVCBOLYSA-N 2 2 347.459 1.614 20 0 EDADLP CNC(=O)[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000679772113 487464402 /nfs/dbraw/zinc/46/44/02/487464402.db2.gz ATKBUFHXBPDWQY-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000679772113 487464404 /nfs/dbraw/zinc/46/44/04/487464404.db2.gz ATKBUFHXBPDWQY-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986547 485611367 /nfs/dbraw/zinc/61/13/67/485611367.db2.gz FSPHYDSOCZOFPJ-HKUYNNGSSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986547 485611372 /nfs/dbraw/zinc/61/13/72/485611372.db2.gz FSPHYDSOCZOFPJ-HKUYNNGSSA-N 2 2 345.487 1.878 20 0 EDADLP CN(c1ccccc1C[N@H+](C)Cc1cn(C)nn1)C1CC[NH+](C)CC1 ZINC000668605539 485938644 /nfs/dbraw/zinc/93/86/44/485938644.db2.gz SRCRZSXYSWANJM-UHFFFAOYSA-N 2 2 342.491 1.978 20 0 EDADLP CN(c1ccccc1C[N@@H+](C)Cc1cn(C)nn1)C1CC[NH+](C)CC1 ZINC000668605539 485938648 /nfs/dbraw/zinc/93/86/48/485938648.db2.gz SRCRZSXYSWANJM-UHFFFAOYSA-N 2 2 342.491 1.978 20 0 EDADLP COc1cc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000668618443 485959398 /nfs/dbraw/zinc/95/93/98/485959398.db2.gz RDQWKBVESXVSND-KRWDZBQOSA-N 2 2 346.475 1.260 20 0 EDADLP COc1cc(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000668618443 485959402 /nfs/dbraw/zinc/95/94/02/485959402.db2.gz RDQWKBVESXVSND-KRWDZBQOSA-N 2 2 346.475 1.260 20 0 EDADLP CC[N@H+](CCc1ccccc1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000051923583 485971924 /nfs/dbraw/zinc/97/19/24/485971924.db2.gz IRUWEQVNDOBYFH-UHFFFAOYSA-N 2 2 347.503 1.778 20 0 EDADLP CC[N@@H+](CCc1ccccc1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000051923583 485971934 /nfs/dbraw/zinc/97/19/34/485971934.db2.gz IRUWEQVNDOBYFH-UHFFFAOYSA-N 2 2 347.503 1.778 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)CC3([NH3+])CCC3)CC2)cc(OC)c1 ZINC000237301707 485973725 /nfs/dbraw/zinc/97/37/25/485973725.db2.gz VVTCDFJPFHIYIT-UHFFFAOYSA-N 2 2 347.459 1.620 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC[C@H]3C(F)F)C2)CC1 ZINC000669650063 485977978 /nfs/dbraw/zinc/97/79/78/485977978.db2.gz VXFKJVNHVDXOGR-HIFRSBDPSA-N 2 2 344.450 1.984 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC[C@H]3C(F)F)C2)CC1 ZINC000669650063 485977983 /nfs/dbraw/zinc/97/79/83/485977983.db2.gz VXFKJVNHVDXOGR-HIFRSBDPSA-N 2 2 344.450 1.984 20 0 EDADLP Cc1ccn([C@@H](C)CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640870 485985543 /nfs/dbraw/zinc/98/55/43/485985543.db2.gz XXWCUZSEXWGIKV-JKSUJKDBSA-N 2 2 333.480 1.427 20 0 EDADLP Cc1ccn([C@@H](C)CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640870 485985550 /nfs/dbraw/zinc/98/55/50/485985550.db2.gz XXWCUZSEXWGIKV-JKSUJKDBSA-N 2 2 333.480 1.427 20 0 EDADLP Cn1ccnc1C[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284478039 486001824 /nfs/dbraw/zinc/00/18/24/486001824.db2.gz IUFPHVGJFCPYEU-KBXCAEBGSA-N 2 2 328.464 1.859 20 0 EDADLP Cn1ccnc1C[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284478039 486001831 /nfs/dbraw/zinc/00/18/31/486001831.db2.gz IUFPHVGJFCPYEU-KBXCAEBGSA-N 2 2 328.464 1.859 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000669366281 486014507 /nfs/dbraw/zinc/01/45/07/486014507.db2.gz KBRVWRCTUVCOQS-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000237923035 486017684 /nfs/dbraw/zinc/01/76/84/486017684.db2.gz BIWIPRYCWBDFRW-DLBZAZTESA-N 2 2 347.459 1.141 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)[nH+]c2c1 ZINC000669402313 486072255 /nfs/dbraw/zinc/07/22/55/486072255.db2.gz NVYJTIKIHQBSLY-IMJJTQAJSA-N 2 2 327.432 1.912 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)cc2[nH+]1 ZINC000668160847 486183629 /nfs/dbraw/zinc/18/36/29/486183629.db2.gz ISXSKWSJOOYZJE-CQSZACIVSA-N 2 2 345.447 1.952 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)cc2[nH+]1 ZINC000668160847 486183633 /nfs/dbraw/zinc/18/36/33/486183633.db2.gz ISXSKWSJOOYZJE-CQSZACIVSA-N 2 2 345.447 1.952 20 0 EDADLP COc1cc(F)c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1OC ZINC000668792055 486203106 /nfs/dbraw/zinc/20/31/06/486203106.db2.gz JBPZJXYFURSAEP-UHFFFAOYSA-N 2 2 334.395 1.899 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668793171 486203901 /nfs/dbraw/zinc/20/39/01/486203901.db2.gz RSNQHUCEWNTRCV-UHFFFAOYSA-N 3 2 337.431 1.631 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN(c2[nH+]ccn2C)CC1 ZINC000668793171 486203906 /nfs/dbraw/zinc/20/39/06/486203906.db2.gz RSNQHUCEWNTRCV-UHFFFAOYSA-N 2 2 337.431 1.631 20 0 EDADLP [NH3+]C/C=C/CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000669474538 486227672 /nfs/dbraw/zinc/22/76/72/486227672.db2.gz OLUAFQRXOLQPCJ-AORQRIRUSA-N 2 2 338.402 1.743 20 0 EDADLP [NH3+]C/C=C/CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000669474538 486227678 /nfs/dbraw/zinc/22/76/78/486227678.db2.gz OLUAFQRXOLQPCJ-AORQRIRUSA-N 2 2 338.402 1.743 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669484226 486250134 /nfs/dbraw/zinc/25/01/34/486250134.db2.gz KTEXSGLQCHJRIS-UXLLHSPISA-N 3 2 337.512 1.066 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669484226 486250137 /nfs/dbraw/zinc/25/01/37/486250137.db2.gz KTEXSGLQCHJRIS-UXLLHSPISA-N 3 2 337.512 1.066 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000669484419 486250293 /nfs/dbraw/zinc/25/02/93/486250293.db2.gz WDJWFCDDUPMYEP-WMZOPIPTSA-N 3 2 345.491 1.154 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000669484419 486250296 /nfs/dbraw/zinc/25/02/96/486250296.db2.gz WDJWFCDDUPMYEP-WMZOPIPTSA-N 3 2 345.491 1.154 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000668873856 486285674 /nfs/dbraw/zinc/28/56/74/486285674.db2.gz IPXTWYVQMAFMJZ-HYVNUMGLSA-N 2 2 339.443 1.903 20 0 EDADLP Cc1cc(NC(=O)NCc2ccc(N)[nH+]c2)n(C2CC[NH+](C)CC2)n1 ZINC000669975394 486537716 /nfs/dbraw/zinc/53/77/16/486537716.db2.gz LXRXWZIEEYPHBI-UHFFFAOYSA-N 2 2 343.435 1.757 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000169248310 486591068 /nfs/dbraw/zinc/59/10/68/486591068.db2.gz AXEUNEKMHWNBGV-INIZCTEOSA-N 2 2 332.448 1.135 20 0 EDADLP C[C@H]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000131205749 491211846 /nfs/dbraw/zinc/21/18/46/491211846.db2.gz SIFNXGUBPKLVDE-HOCLYGCPSA-N 2 2 345.451 1.756 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000314893739 491247344 /nfs/dbraw/zinc/24/73/44/491247344.db2.gz GKGGMPYDMVWEGE-UKRRQHHQSA-N 2 2 325.478 1.682 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000314893739 491247346 /nfs/dbraw/zinc/24/73/46/491247346.db2.gz GKGGMPYDMVWEGE-UKRRQHHQSA-N 2 2 325.478 1.682 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000081338139 491177276 /nfs/dbraw/zinc/17/72/76/491177276.db2.gz VHDDLYWSULMEFZ-ROUUACIJSA-N 2 2 331.460 1.660 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000081338139 491177277 /nfs/dbraw/zinc/17/72/77/491177277.db2.gz VHDDLYWSULMEFZ-ROUUACIJSA-N 2 2 331.460 1.660 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000153969009 534227660 /nfs/dbraw/zinc/22/76/60/534227660.db2.gz YPBACBNMUVLPGB-HDICACEKSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000153969009 534227662 /nfs/dbraw/zinc/22/76/62/534227662.db2.gz YPBACBNMUVLPGB-HDICACEKSA-N 2 2 336.524 1.489 20 0 EDADLP NC(=O)N1CCC([NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000153808249 534376774 /nfs/dbraw/zinc/37/67/74/534376774.db2.gz CQRYQWAAFDJXNO-UHFFFAOYSA-N 2 2 326.510 1.481 20 0 EDADLP O=C([C@@H]1CCCn2cc[nH+]c21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000175151279 534589822 /nfs/dbraw/zinc/58/98/22/534589822.db2.gz WJLZVEPUIIWZKI-HZPDHXFCSA-N 2 2 332.448 1.331 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000171689906 527733164 /nfs/dbraw/zinc/73/31/64/527733164.db2.gz PZOZCSNAVUGWFZ-UHFFFAOYSA-N 2 2 341.477 1.175 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NCc2cccc(OC)c2)C1 ZINC000174223269 528183336 /nfs/dbraw/zinc/18/33/36/528183336.db2.gz KFKJFYCVPPDFEX-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(OC)c2)C1 ZINC000174223269 528183345 /nfs/dbraw/zinc/18/33/45/528183345.db2.gz KFKJFYCVPPDFEX-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CCOC(=O)c1ccc(N2CCC[N@H+](CCn3cc[nH+]c3)CC2)nc1 ZINC000131860619 528227519 /nfs/dbraw/zinc/22/75/19/528227519.db2.gz GUPRVLGJFDBAAP-UHFFFAOYSA-N 2 2 343.431 1.667 20 0 EDADLP CCOC(=O)c1ccc(N2CCC[N@@H+](CCn3cc[nH+]c3)CC2)nc1 ZINC000131860619 528227522 /nfs/dbraw/zinc/22/75/22/528227522.db2.gz GUPRVLGJFDBAAP-UHFFFAOYSA-N 2 2 343.431 1.667 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000183338505 528808295 /nfs/dbraw/zinc/80/82/95/528808295.db2.gz VWKCSUCBJSLFRW-INIZCTEOSA-N 2 2 325.497 1.629 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)c3cccn3C)CC2)CC1 ZINC000270987547 535197717 /nfs/dbraw/zinc/19/77/17/535197717.db2.gz XTXSIHIHWSRCKS-UHFFFAOYSA-N 2 2 332.492 1.698 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc(COC)cc2)CC1 ZINC000077249862 535457741 /nfs/dbraw/zinc/45/77/41/535457741.db2.gz DKJLQJHDDUPGOH-UHFFFAOYSA-N 2 2 333.476 1.865 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc(COC)cc2)CC1 ZINC000077249862 535457743 /nfs/dbraw/zinc/45/77/43/535457743.db2.gz DKJLQJHDDUPGOH-UHFFFAOYSA-N 2 2 333.476 1.865 20 0 EDADLP CCO[C@@H]1C[C@](CO)([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352722361 535534651 /nfs/dbraw/zinc/53/46/51/535534651.db2.gz BKVMTGFLBVOBNJ-CZUORRHYSA-N 2 2 327.494 1.860 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000072823652 535585503 /nfs/dbraw/zinc/58/55/03/535585503.db2.gz UHNABRBJXYOFAD-HNNXBMFYSA-N 2 2 338.496 1.809 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000072823652 535585508 /nfs/dbraw/zinc/58/55/08/535585508.db2.gz UHNABRBJXYOFAD-HNNXBMFYSA-N 2 2 338.496 1.809 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000072701966 535636390 /nfs/dbraw/zinc/63/63/90/535636390.db2.gz BUGOEMLMMYHKRC-AWEZNQCLSA-N 2 2 333.432 1.400 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000072701966 535636394 /nfs/dbraw/zinc/63/63/94/535636394.db2.gz BUGOEMLMMYHKRC-AWEZNQCLSA-N 2 2 333.432 1.400 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)CC1 ZINC000130293861 535732206 /nfs/dbraw/zinc/73/22/06/535732206.db2.gz DTZCSQJAVCFLDI-XYJFISCASA-N 2 2 349.523 1.033 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)CC1 ZINC000130293861 535732213 /nfs/dbraw/zinc/73/22/13/535732213.db2.gz DTZCSQJAVCFLDI-XYJFISCASA-N 2 2 349.523 1.033 20 0 EDADLP CC[C@@H](O)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262605790 535811943 /nfs/dbraw/zinc/81/19/43/535811943.db2.gz GERRNTIZENOCGJ-SJORKVTESA-N 2 2 330.432 1.078 20 0 EDADLP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340387514 536087806 /nfs/dbraw/zinc/08/78/06/536087806.db2.gz HGVKOTBNSILPQE-CVEARBPZSA-N 2 2 325.478 1.303 20 0 EDADLP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340387514 536087809 /nfs/dbraw/zinc/08/78/09/536087809.db2.gz HGVKOTBNSILPQE-CVEARBPZSA-N 2 2 325.478 1.303 20 0 EDADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1COCC[N@@H+]1C ZINC000346317878 536323197 /nfs/dbraw/zinc/32/31/97/536323197.db2.gz JZVVUFXAFBOINL-GOSISDBHSA-N 2 2 346.475 1.477 20 0 EDADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1COCC[N@H+]1C ZINC000346317878 536323200 /nfs/dbraw/zinc/32/32/00/536323200.db2.gz JZVVUFXAFBOINL-GOSISDBHSA-N 2 2 346.475 1.477 20 0 EDADLP CC1(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)COC1 ZINC000742357914 579449802 /nfs/dbraw/zinc/44/98/02/579449802.db2.gz UURBUBOJKFEJQU-UHFFFAOYSA-N 2 2 333.432 1.526 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)([NH+](C)C)C1 ZINC000726256646 578339394 /nfs/dbraw/zinc/33/93/94/578339394.db2.gz ZNXJEKZSXKJGLI-SOLBZPMBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)([NH+](C)C)C1 ZINC000726256646 578339395 /nfs/dbraw/zinc/33/93/95/578339395.db2.gz ZNXJEKZSXKJGLI-SOLBZPMBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000726256713 578339425 /nfs/dbraw/zinc/33/94/25/578339425.db2.gz MLANBFXCDSHWRN-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000726256713 578339426 /nfs/dbraw/zinc/33/94/26/578339426.db2.gz MLANBFXCDSHWRN-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000726256713 578339427 /nfs/dbraw/zinc/33/94/27/578339427.db2.gz MLANBFXCDSHWRN-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000726256713 578339428 /nfs/dbraw/zinc/33/94/28/578339428.db2.gz MLANBFXCDSHWRN-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)CCO1 ZINC000726260039 578340585 /nfs/dbraw/zinc/34/05/85/578340585.db2.gz YOGVQNZXNOIHBZ-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)CCO1 ZINC000726260039 578340586 /nfs/dbraw/zinc/34/05/86/578340586.db2.gz YOGVQNZXNOIHBZ-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCO1 ZINC000726260039 578340587 /nfs/dbraw/zinc/34/05/87/578340587.db2.gz YOGVQNZXNOIHBZ-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCO1 ZINC000726260039 578340588 /nfs/dbraw/zinc/34/05/88/578340588.db2.gz YOGVQNZXNOIHBZ-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000726526087 578347896 /nfs/dbraw/zinc/34/78/96/578347896.db2.gz CEZHBOPDWBVWIT-UHFFFAOYSA-N 2 2 346.354 1.804 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cn2c1 ZINC000729500959 578578417 /nfs/dbraw/zinc/57/84/17/578578417.db2.gz CVLUMBJFVLQLKP-CVEARBPZSA-N 2 2 343.431 1.305 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cn2c1 ZINC000729500959 578578419 /nfs/dbraw/zinc/57/84/19/578578419.db2.gz CVLUMBJFVLQLKP-CVEARBPZSA-N 2 2 343.431 1.305 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000729607411 578584591 /nfs/dbraw/zinc/58/45/91/578584591.db2.gz YBFNWVAETUSDGO-INIZCTEOSA-N 2 2 340.431 1.647 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000729607411 578584592 /nfs/dbraw/zinc/58/45/92/578584592.db2.gz YBFNWVAETUSDGO-INIZCTEOSA-N 2 2 340.431 1.647 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729620403 578585306 /nfs/dbraw/zinc/58/53/06/578585306.db2.gz XWDKJTWMEGLICI-HRCADAONSA-N 2 2 333.436 1.093 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H]1CC1(Cl)Cl ZINC000729930560 578602844 /nfs/dbraw/zinc/60/28/44/578602844.db2.gz URSIXPOFFBAMSS-MGPQQGTHSA-N 2 2 336.307 1.517 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H]1CC1(Cl)Cl ZINC000729930560 578602845 /nfs/dbraw/zinc/60/28/45/578602845.db2.gz URSIXPOFFBAMSS-MGPQQGTHSA-N 2 2 336.307 1.517 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000729930560 578602846 /nfs/dbraw/zinc/60/28/46/578602846.db2.gz URSIXPOFFBAMSS-MGPQQGTHSA-N 2 2 336.307 1.517 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000729930560 578602847 /nfs/dbraw/zinc/60/28/47/578602847.db2.gz URSIXPOFFBAMSS-MGPQQGTHSA-N 2 2 336.307 1.517 20 0 EDADLP CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559779 578717940 /nfs/dbraw/zinc/71/79/40/578717940.db2.gz RANKQSCCVQUWDQ-LAQIPUCWSA-N 2 2 331.464 1.060 20 0 EDADLP CN(C(=O)/C=C/c1cnn(C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559779 578717941 /nfs/dbraw/zinc/71/79/41/578717941.db2.gz RANKQSCCVQUWDQ-LAQIPUCWSA-N 2 2 331.464 1.060 20 0 EDADLP CN(C(=O)/C=C/c1cnccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558531 578718484 /nfs/dbraw/zinc/71/84/84/578718484.db2.gz AZXJJYZIDJBFRI-IDOMTICXSA-N 2 2 329.448 1.117 20 0 EDADLP CN(C(=O)/C=C/c1cnccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558531 578718485 /nfs/dbraw/zinc/71/84/85/578718485.db2.gz AZXJJYZIDJBFRI-IDOMTICXSA-N 2 2 329.448 1.117 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)NCCc3ccccc3)C2)CC1 ZINC000732720541 578725552 /nfs/dbraw/zinc/72/55/52/578725552.db2.gz JLTZLUDWIASPPC-QGZVFWFLSA-N 2 2 346.544 1.862 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)NCCc3ccccc3)C2)CC1 ZINC000732720541 578725553 /nfs/dbraw/zinc/72/55/53/578725553.db2.gz JLTZLUDWIASPPC-QGZVFWFLSA-N 2 2 346.544 1.862 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)NCc3ccccc3)C2)CC1 ZINC000732720287 578725558 /nfs/dbraw/zinc/72/55/58/578725558.db2.gz HSAAEBHLBLJJPC-INIZCTEOSA-N 2 2 332.517 1.819 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)NCc3ccccc3)C2)CC1 ZINC000732720287 578725559 /nfs/dbraw/zinc/72/55/59/578725559.db2.gz HSAAEBHLBLJJPC-INIZCTEOSA-N 2 2 332.517 1.819 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734262716 578805296 /nfs/dbraw/zinc/80/52/96/578805296.db2.gz ASWOABVYVAUEKD-MRXNPFEDSA-N 2 2 347.463 1.436 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000734862120 578841412 /nfs/dbraw/zinc/84/14/12/578841412.db2.gz PTIJRXFETAMQJA-KRWDZBQOSA-N 2 2 343.431 1.392 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000734862120 578841413 /nfs/dbraw/zinc/84/14/13/578841413.db2.gz PTIJRXFETAMQJA-KRWDZBQOSA-N 2 2 343.431 1.392 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736565820 579000325 /nfs/dbraw/zinc/00/03/25/579000325.db2.gz RBPGWNCQKYYNSL-UHFFFAOYSA-N 2 2 330.436 1.662 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736565820 579000326 /nfs/dbraw/zinc/00/03/26/579000326.db2.gz RBPGWNCQKYYNSL-UHFFFAOYSA-N 2 2 330.436 1.662 20 0 EDADLP Cn1cc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)nn1 ZINC000761310693 580054730 /nfs/dbraw/zinc/05/47/30/580054730.db2.gz UWXCQSBSNLKVOS-UHFFFAOYSA-N 2 2 328.420 1.848 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000746099214 579571829 /nfs/dbraw/zinc/57/18/29/579571829.db2.gz NSXUTSXXTKAKAX-KRWDZBQOSA-N 2 2 332.448 1.098 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000746099214 579571830 /nfs/dbraw/zinc/57/18/30/579571830.db2.gz NSXUTSXXTKAKAX-KRWDZBQOSA-N 2 2 332.448 1.098 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000746229979 579577707 /nfs/dbraw/zinc/57/77/07/579577707.db2.gz BFCVGPBMBNSMOH-ZHALLVOQSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000748346331 579680275 /nfs/dbraw/zinc/68/02/75/579680275.db2.gz PKZNWUDVGLDLCR-INIZCTEOSA-N 2 2 330.476 1.210 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000748346331 579680276 /nfs/dbraw/zinc/68/02/76/579680276.db2.gz PKZNWUDVGLDLCR-INIZCTEOSA-N 2 2 330.476 1.210 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000748346331 579680277 /nfs/dbraw/zinc/68/02/77/579680277.db2.gz PKZNWUDVGLDLCR-INIZCTEOSA-N 2 2 330.476 1.210 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000748346331 579680278 /nfs/dbraw/zinc/68/02/78/579680278.db2.gz PKZNWUDVGLDLCR-INIZCTEOSA-N 2 2 330.476 1.210 20 0 EDADLP CCCCOC(=O)CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000749460191 579727634 /nfs/dbraw/zinc/72/76/34/579727634.db2.gz LAUQLESIVKAPAI-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=S)NC[C@H]3CCOC3)CC2)CC1 ZINC000749686622 579735070 /nfs/dbraw/zinc/73/50/70/579735070.db2.gz MOTYJJGVORTECX-CQSZACIVSA-N 2 2 340.537 1.046 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H](C)C1 ZINC000750825491 579782729 /nfs/dbraw/zinc/78/27/29/579782729.db2.gz DICJZGHBTHZAKY-MLGOLLRUSA-N 2 2 345.447 1.869 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H](C)C1 ZINC000750825491 579782731 /nfs/dbraw/zinc/78/27/31/579782731.db2.gz DICJZGHBTHZAKY-MLGOLLRUSA-N 2 2 345.447 1.869 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H](C)C1 ZINC000750825491 579782732 /nfs/dbraw/zinc/78/27/32/579782732.db2.gz DICJZGHBTHZAKY-MLGOLLRUSA-N 2 2 345.447 1.869 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H](C)C1 ZINC000750825491 579782734 /nfs/dbraw/zinc/78/27/34/579782734.db2.gz DICJZGHBTHZAKY-MLGOLLRUSA-N 2 2 345.447 1.869 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NCC[NH+]1CCOC(C)(C)C1 ZINC000751019341 579791776 /nfs/dbraw/zinc/79/17/76/579791776.db2.gz GQIJQVFXSHJXNV-AWEZNQCLSA-N 2 2 328.526 1.046 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=S)NCC[NH+]1CCOC(C)(C)C1 ZINC000751019341 579791777 /nfs/dbraw/zinc/79/17/77/579791777.db2.gz GQIJQVFXSHJXNV-AWEZNQCLSA-N 2 2 328.526 1.046 20 0 EDADLP CC[NH+]1CCC[C@H]1CNC(=S)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000751019341 579791778 /nfs/dbraw/zinc/79/17/78/579791778.db2.gz GQIJQVFXSHJXNV-AWEZNQCLSA-N 2 2 328.526 1.046 20 0 EDADLP CC[NH+]1CCC[C@H]1CNC(=S)NCC[N@H+]1CCOC(C)(C)C1 ZINC000751019341 579791779 /nfs/dbraw/zinc/79/17/79/579791779.db2.gz GQIJQVFXSHJXNV-AWEZNQCLSA-N 2 2 328.526 1.046 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nc(N2CCCC2)cc[nH+]1 ZINC000751946817 579829602 /nfs/dbraw/zinc/82/96/02/579829602.db2.gz LPEVKJIPNAGBIF-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP O=S1(=O)CCC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000756041157 579942342 /nfs/dbraw/zinc/94/23/42/579942342.db2.gz JUULWGZEOYMXHP-UHFFFAOYSA-N 2 2 337.420 1.926 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000759355859 580004231 /nfs/dbraw/zinc/00/42/31/580004231.db2.gz TURTVGFZTMNFJQ-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CCO1 ZINC000759355859 580004232 /nfs/dbraw/zinc/00/42/32/580004232.db2.gz TURTVGFZTMNFJQ-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000759355859 580004233 /nfs/dbraw/zinc/00/42/33/580004233.db2.gz TURTVGFZTMNFJQ-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000759355859 580004234 /nfs/dbraw/zinc/00/42/34/580004234.db2.gz TURTVGFZTMNFJQ-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000762526717 580076734 /nfs/dbraw/zinc/07/67/34/580076734.db2.gz HVUAKPGBEMITLY-UHFFFAOYSA-N 2 2 336.461 1.494 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3ccncc3)C2)CC1 ZINC000762660225 580080056 /nfs/dbraw/zinc/08/00/56/580080056.db2.gz KFJVTSAMPYERKV-MRXNPFEDSA-N 2 2 331.464 1.092 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3ccncc3)C2)CC1 ZINC000762660225 580080057 /nfs/dbraw/zinc/08/00/57/580080057.db2.gz KFJVTSAMPYERKV-MRXNPFEDSA-N 2 2 331.464 1.092 20 0 EDADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000762787518 580083221 /nfs/dbraw/zinc/08/32/21/580083221.db2.gz MTHVTDIBEUVABU-IAQYHMDHSA-N 2 2 348.415 1.400 20 0 EDADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000762787518 580083222 /nfs/dbraw/zinc/08/32/22/580083222.db2.gz MTHVTDIBEUVABU-IAQYHMDHSA-N 2 2 348.415 1.400 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)OCCCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000763690751 580104280 /nfs/dbraw/zinc/10/42/80/580104280.db2.gz FSDQXMIDWKCOIR-IYBDPMFKSA-N 2 2 340.464 1.822 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)OCCCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000763690751 580104281 /nfs/dbraw/zinc/10/42/81/580104281.db2.gz FSDQXMIDWKCOIR-IYBDPMFKSA-N 2 2 340.464 1.822 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OCCCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000763690751 580104282 /nfs/dbraw/zinc/10/42/82/580104282.db2.gz FSDQXMIDWKCOIR-IYBDPMFKSA-N 2 2 340.464 1.822 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)OCCCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000763690751 580104283 /nfs/dbraw/zinc/10/42/83/580104283.db2.gz FSDQXMIDWKCOIR-IYBDPMFKSA-N 2 2 340.464 1.822 20 0 EDADLP c1ccc(C[NH+]2CCC(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)nc1 ZINC000765789547 580151374 /nfs/dbraw/zinc/15/13/74/580151374.db2.gz AUYOHEBYNIDPLV-MOPGFXCFSA-N 2 2 330.476 1.499 20 0 EDADLP c1ccc(C[NH+]2CCC(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)nc1 ZINC000765789547 580151375 /nfs/dbraw/zinc/15/13/75/580151375.db2.gz AUYOHEBYNIDPLV-MOPGFXCFSA-N 2 2 330.476 1.499 20 0 EDADLP c1ccc(CN2CCC([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)nc1 ZINC000765789547 580151376 /nfs/dbraw/zinc/15/13/76/580151376.db2.gz AUYOHEBYNIDPLV-MOPGFXCFSA-N 2 2 330.476 1.499 20 0 EDADLP c1ccc(CN2CCC([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)nc1 ZINC000765789547 580151377 /nfs/dbraw/zinc/15/13/77/580151377.db2.gz AUYOHEBYNIDPLV-MOPGFXCFSA-N 2 2 330.476 1.499 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(OCC(N)=O)cc3)CC2)c1 ZINC000766165522 580160752 /nfs/dbraw/zinc/16/07/52/580160752.db2.gz AUGUGRPTEFZZEX-UHFFFAOYSA-N 2 2 340.427 1.576 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000770408612 580259725 /nfs/dbraw/zinc/25/97/25/580259725.db2.gz LAICZGUMNSVKJV-UHFFFAOYSA-N 2 2 328.416 1.519 20 0 EDADLP O=C(C[NH2+][C@H](CCO)C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000771805376 580294779 /nfs/dbraw/zinc/29/47/79/580294779.db2.gz ZPQCBWXYRSMWRL-GOSISDBHSA-N 2 2 331.460 1.081 20 0 EDADLP Cn1cc([C@@H](CO)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cn1 ZINC000773108436 580327356 /nfs/dbraw/zinc/32/73/56/580327356.db2.gz YEBRUSGYEPDTJP-LJQANCHMSA-N 2 2 343.475 1.778 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[S@](=O)C(C)(C)C)CC1 ZINC000775635388 580395851 /nfs/dbraw/zinc/39/58/51/580395851.db2.gz XFEFZXTWRGQOKD-QFIPXVFZSA-N 2 2 332.510 1.541 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccnc(N(C)C)c2)CC1 ZINC000782173411 580568443 /nfs/dbraw/zinc/56/84/43/580568443.db2.gz AHVWCLPRUCJVDD-UHFFFAOYSA-N 2 2 333.480 1.134 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c(N(C)C)[nH+]1 ZINC000782779793 580584940 /nfs/dbraw/zinc/58/49/40/580584940.db2.gz BMEMVFSSOUMOBJ-UHFFFAOYSA-N 2 2 347.463 1.337 20 0 EDADLP Cc1ccc(N(C)[C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000784374475 580619743 /nfs/dbraw/zinc/61/97/43/580619743.db2.gz LYEPWQOJFYKAAD-LJQANCHMSA-N 2 2 344.503 1.670 20 0 EDADLP Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000784374475 580619744 /nfs/dbraw/zinc/61/97/44/580619744.db2.gz LYEPWQOJFYKAAD-LJQANCHMSA-N 2 2 344.503 1.670 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000784813108 580629287 /nfs/dbraw/zinc/62/92/87/580629287.db2.gz IHBRECKBUWIJMV-CQSZACIVSA-N 2 2 347.463 1.385 20 0 EDADLP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1)C[NH+]1CCOCC1 ZINC000786831236 580680561 /nfs/dbraw/zinc/68/05/61/580680561.db2.gz SDWCQFBTTPCDFA-HZPDHXFCSA-N 2 2 346.475 1.835 20 0 EDADLP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)C[NH+]1CCOCC1 ZINC000786831232 580680591 /nfs/dbraw/zinc/68/05/91/580680591.db2.gz SDWCQFBTTPCDFA-CVEARBPZSA-N 2 2 346.475 1.835 20 0 EDADLP CN(C(=O)c1cnc(Cl)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787899776 580708597 /nfs/dbraw/zinc/70/85/97/580708597.db2.gz HSBZRVREVKPZHY-CYBMUJFWSA-N 2 2 337.855 1.371 20 0 EDADLP CN(C(=O)c1cnc(Cl)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787899776 580708598 /nfs/dbraw/zinc/70/85/98/580708598.db2.gz HSBZRVREVKPZHY-CYBMUJFWSA-N 2 2 337.855 1.371 20 0 EDADLP CO[C@@H]1CC(=O)N(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000788381766 580720024 /nfs/dbraw/zinc/72/00/24/580720024.db2.gz HISMGZSPQKZSLZ-MRXNPFEDSA-N 2 2 332.448 1.604 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[N@@H+]1CC[C@@H](c3[nH+]ccn3C)C1)C2 ZINC000790442680 580770024 /nfs/dbraw/zinc/77/00/24/580770024.db2.gz OQSAWOKAYUHBAZ-CQSZACIVSA-N 2 2 326.400 1.832 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[N@H+]1CC[C@@H](c3[nH+]ccn3C)C1)C2 ZINC000790442680 580770025 /nfs/dbraw/zinc/77/00/25/580770025.db2.gz OQSAWOKAYUHBAZ-CQSZACIVSA-N 2 2 326.400 1.832 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000794392696 580890306 /nfs/dbraw/zinc/89/03/06/580890306.db2.gz JTWSXBJRYMDQFE-OAHLLOKOSA-N 2 2 338.452 1.796 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000795707534 580934943 /nfs/dbraw/zinc/93/49/43/580934943.db2.gz ODFXDOARKGOPTJ-PMPSAXMXSA-N 2 2 331.464 1.252 20 0 EDADLP COCCOc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cn1 ZINC000796265078 580949556 /nfs/dbraw/zinc/94/95/56/580949556.db2.gz DWZBNJZMESUESW-UHFFFAOYSA-N 2 2 336.461 1.915 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[C@H]1OC ZINC000893047125 590634776 /nfs/dbraw/zinc/63/47/76/590634776.db2.gz KMKQMTLWYHHXSF-LCWAXJCOSA-N 2 2 348.487 1.651 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[C@H]1OC ZINC000893047125 590634779 /nfs/dbraw/zinc/63/47/79/590634779.db2.gz KMKQMTLWYHHXSF-LCWAXJCOSA-N 2 2 348.487 1.651 20 0 EDADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891925952 590691232 /nfs/dbraw/zinc/69/12/32/590691232.db2.gz KWGMHTJBJVXOJI-RYUDHWBXSA-N 2 2 331.807 1.781 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891939323 590696313 /nfs/dbraw/zinc/69/63/13/590696313.db2.gz JCRRCEDXYPNJAM-GARJFASQSA-N 2 2 333.358 1.743 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NC[C@@H]1CCCC[NH2+]1 ZINC000891971559 590716845 /nfs/dbraw/zinc/71/68/45/590716845.db2.gz QMRMXZXSMXEDGN-HNNXBMFYSA-N 2 2 349.504 1.576 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C(=O)N(C)C ZINC000893361580 590803948 /nfs/dbraw/zinc/80/39/48/590803948.db2.gz LJXZHDTVSPTGCH-CYBMUJFWSA-N 2 2 342.484 1.042 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H](C)CCC[NH3+])C2)cc1 ZINC000892138926 590818224 /nfs/dbraw/zinc/81/82/24/590818224.db2.gz HHYJSWUYSPLAPZ-SJLPKXTDSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H](C)CCC[NH3+])C2)cc1 ZINC000892138926 590818227 /nfs/dbraw/zinc/81/82/27/590818227.db2.gz HHYJSWUYSPLAPZ-SJLPKXTDSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000893416479 590856813 /nfs/dbraw/zinc/85/68/13/590856813.db2.gz JJLPNBAHNGXYMP-QGZVFWFLSA-N 2 2 347.488 1.879 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892337013 590964922 /nfs/dbraw/zinc/96/49/22/590964922.db2.gz QWIXOSMBFJJKDS-HNNXBMFYSA-N 2 2 346.475 1.194 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC[C@H]3CCC(C)(C)C[NH2+]3)CC2)cc[nH+]1 ZINC000892385042 591004316 /nfs/dbraw/zinc/00/43/16/591004316.db2.gz FRCIWDCGTSMAPS-OAHLLOKOSA-N 2 2 346.479 1.395 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892472098 591039431 /nfs/dbraw/zinc/03/94/31/591039431.db2.gz XIVMRKQWXVUYPE-UHFFFAOYSA-N 2 2 345.369 1.953 20 0 EDADLP O=C(C1CCCCC1)N1CC[NH+](CCNc2cc[nH+]cc2CO)CC1 ZINC000892509461 591053500 /nfs/dbraw/zinc/05/35/00/591053500.db2.gz FBDAIGIKWJDUFD-UHFFFAOYSA-N 2 2 346.475 1.132 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891350651 591055088 /nfs/dbraw/zinc/05/50/88/591055088.db2.gz ULHUWKIOSUVUFN-HZPDHXFCSA-N 2 2 338.496 1.319 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000892595351 591085386 /nfs/dbraw/zinc/08/53/86/591085386.db2.gz HLDIEZRQWIVEQM-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000892595351 591085391 /nfs/dbraw/zinc/08/53/91/591085391.db2.gz HLDIEZRQWIVEQM-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC(C)(C)CC[NH3+])C2)cc1 ZINC000892611117 591094575 /nfs/dbraw/zinc/09/45/75/591094575.db2.gz KJBTTXOGQSBUPH-QGZVFWFLSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC(C)(C)CC[NH3+])C2)cc1 ZINC000892611117 591094578 /nfs/dbraw/zinc/09/45/78/591094578.db2.gz KJBTTXOGQSBUPH-QGZVFWFLSA-N 2 2 348.491 1.622 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]1OC ZINC000892613960 591096715 /nfs/dbraw/zinc/09/67/15/591096715.db2.gz CWIWEHVOZUFIBR-IPMKNSEASA-N 2 2 334.460 1.801 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000892731424 591152429 /nfs/dbraw/zinc/15/24/29/591152429.db2.gz PSUHDUPUMFYDSN-VXGBXAGGSA-N 2 2 345.369 1.824 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000892731424 591152432 /nfs/dbraw/zinc/15/24/32/591152432.db2.gz PSUHDUPUMFYDSN-VXGBXAGGSA-N 2 2 345.369 1.824 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@H+](C)[C@@H]2CCNC2=O)c2c1OC(F)(F)O2 ZINC000894096289 591191750 /nfs/dbraw/zinc/19/17/50/591191750.db2.gz VVTVNWHIUPJIGN-GFCCVEGCSA-N 2 2 341.358 1.390 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)c2c1OC(F)(F)O2 ZINC000894096289 591191753 /nfs/dbraw/zinc/19/17/53/591191753.db2.gz VVTVNWHIUPJIGN-GFCCVEGCSA-N 2 2 341.358 1.390 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000891727836 591201210 /nfs/dbraw/zinc/20/12/10/591201210.db2.gz AEAZNAFCGTVWIK-WQVCFCJDSA-N 2 2 338.402 1.843 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000891727836 591201211 /nfs/dbraw/zinc/20/12/11/591201211.db2.gz AEAZNAFCGTVWIK-WQVCFCJDSA-N 2 2 338.402 1.843 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)[nH]n1 ZINC000895630140 591236159 /nfs/dbraw/zinc/23/61/59/591236159.db2.gz VGNXUAHNRJANKT-INIZCTEOSA-N 2 2 342.447 1.682 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)[nH]n1 ZINC000895630140 591236161 /nfs/dbraw/zinc/23/61/61/591236161.db2.gz VGNXUAHNRJANKT-INIZCTEOSA-N 2 2 342.447 1.682 20 0 EDADLP COC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H]1CCCOC1 ZINC000895855959 591288654 /nfs/dbraw/zinc/28/86/54/591288654.db2.gz VVSPNPQCRVNMBK-NVXWUHKLSA-N 2 2 342.480 1.435 20 0 EDADLP C[NH+](C)CCN1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)CC1=O ZINC000894381687 591296355 /nfs/dbraw/zinc/29/63/55/591296355.db2.gz IPIMSQUBHMGNNE-UHFFFAOYSA-N 2 2 329.448 1.442 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1CCC[NH+](CCF)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898492178 591377214 /nfs/dbraw/zinc/37/72/14/591377214.db2.gz SJIYGHPRFFCZKD-YVSFHVDLSA-N 2 2 343.487 1.670 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1CCC[NH+](CCF)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898492178 591377220 /nfs/dbraw/zinc/37/72/20/591377220.db2.gz SJIYGHPRFFCZKD-YVSFHVDLSA-N 2 2 343.487 1.670 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898492178 591377225 /nfs/dbraw/zinc/37/72/25/591377225.db2.gz SJIYGHPRFFCZKD-YVSFHVDLSA-N 2 2 343.487 1.670 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898492178 591377230 /nfs/dbraw/zinc/37/72/30/591377230.db2.gz SJIYGHPRFFCZKD-YVSFHVDLSA-N 2 2 343.487 1.670 20 0 EDADLP COC(=O)[C@H]1[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1(F)F ZINC000894676137 591385270 /nfs/dbraw/zinc/38/52/70/591385270.db2.gz OBQWOKNVXZNNMC-HZSPNIEDSA-N 2 2 332.391 1.085 20 0 EDADLP COC(=O)[C@H]1[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1(F)F ZINC000894676137 591385278 /nfs/dbraw/zinc/38/52/78/591385278.db2.gz OBQWOKNVXZNNMC-HZSPNIEDSA-N 2 2 332.391 1.085 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897434809 591417885 /nfs/dbraw/zinc/41/78/85/591417885.db2.gz BRZFKSCUWLGSGY-SJORKVTESA-N 2 2 345.491 1.812 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897434809 591417886 /nfs/dbraw/zinc/41/78/86/591417886.db2.gz BRZFKSCUWLGSGY-SJORKVTESA-N 2 2 345.491 1.812 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)C(=O)NC ZINC000894949763 591495814 /nfs/dbraw/zinc/49/58/14/591495814.db2.gz OKBPPXXKPPVJRZ-GFCCVEGCSA-N 2 2 343.374 1.684 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)n1 ZINC000896594258 591545690 /nfs/dbraw/zinc/54/56/90/591545690.db2.gz GYCFJGVQXHAIOG-KGLIPLIRSA-N 2 2 337.493 1.583 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)n1 ZINC000896594258 591545693 /nfs/dbraw/zinc/54/56/93/591545693.db2.gz GYCFJGVQXHAIOG-KGLIPLIRSA-N 2 2 337.493 1.583 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000896619014 591555025 /nfs/dbraw/zinc/55/50/25/591555025.db2.gz IJMWLEGMKQGCPB-IUODEOHRSA-N 2 2 349.385 1.791 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000896619014 591555028 /nfs/dbraw/zinc/55/50/28/591555028.db2.gz IJMWLEGMKQGCPB-IUODEOHRSA-N 2 2 349.385 1.791 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000897651405 591605713 /nfs/dbraw/zinc/60/57/13/591605713.db2.gz BAJVYCAWDCBNIE-HZPDHXFCSA-N 2 2 339.480 1.837 20 0 EDADLP CCc1cc(N2CCN(c3nc(N)[nH+]c(C4CC4)n3)CC2)cc[nH+]1 ZINC000896842296 591630396 /nfs/dbraw/zinc/63/03/96/591630396.db2.gz RSPDHXGLHIIGFS-UHFFFAOYSA-N 2 2 325.420 1.615 20 0 EDADLP CCc1cc(N2CCN(c3nc(N)nc(C4CC4)[nH+]3)CC2)cc[nH+]1 ZINC000896842296 591630398 /nfs/dbraw/zinc/63/03/98/591630398.db2.gz RSPDHXGLHIIGFS-UHFFFAOYSA-N 2 2 325.420 1.615 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)C[C@]2(C)C1 ZINC000896914683 591678572 /nfs/dbraw/zinc/67/85/72/591678572.db2.gz OJZPMUVUGILBCZ-RKVPGOIHSA-N 2 2 331.464 1.073 20 0 EDADLP C[N@H+]1C[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)C[C@]2(C)C1 ZINC000896914683 591678575 /nfs/dbraw/zinc/67/85/75/591678575.db2.gz OJZPMUVUGILBCZ-RKVPGOIHSA-N 2 2 331.464 1.073 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)C[C@]2(C)C1 ZINC000896914683 591678578 /nfs/dbraw/zinc/67/85/78/591678578.db2.gz OJZPMUVUGILBCZ-RKVPGOIHSA-N 2 2 331.464 1.073 20 0 EDADLP C[N@H+]1C[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)C[C@]2(C)C1 ZINC000896914683 591678581 /nfs/dbraw/zinc/67/85/81/591678581.db2.gz OJZPMUVUGILBCZ-RKVPGOIHSA-N 2 2 331.464 1.073 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)c1ccco1 ZINC000895456509 591763533 /nfs/dbraw/zinc/76/35/33/591763533.db2.gz FVAXCCIHQSFGHQ-CABCVRRESA-N 2 2 331.420 1.802 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)c1ccco1 ZINC000895456509 591763535 /nfs/dbraw/zinc/76/35/35/591763535.db2.gz FVAXCCIHQSFGHQ-CABCVRRESA-N 2 2 331.420 1.802 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)c1ccco1 ZINC000895456509 591763537 /nfs/dbraw/zinc/76/35/37/591763537.db2.gz FVAXCCIHQSFGHQ-CABCVRRESA-N 2 2 331.420 1.802 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)c1ccco1 ZINC000895456509 591763538 /nfs/dbraw/zinc/76/35/38/591763538.db2.gz FVAXCCIHQSFGHQ-CABCVRRESA-N 2 2 331.420 1.802 20 0 EDADLP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000895495599 591781464 /nfs/dbraw/zinc/78/14/64/591781464.db2.gz UTATYKUQUFAJJZ-UHFFFAOYSA-N 2 2 349.500 1.503 20 0 EDADLP COCC[NH+](CCOC)C1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000898251043 591836916 /nfs/dbraw/zinc/83/69/16/591836916.db2.gz HTBCTKUEIRHRDK-UHFFFAOYSA-N 2 2 346.431 1.062 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000900002743 591861222 /nfs/dbraw/zinc/86/12/22/591861222.db2.gz YQTYEDXXDMVNEF-UHFFFAOYSA-N 2 2 327.432 1.856 20 0 EDADLP CCOC(=O)N1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H](CO)C1 ZINC000898356332 591887970 /nfs/dbraw/zinc/88/79/70/591887970.db2.gz OCVAFAMUDKWCJI-ZBFHGGJFSA-N 2 2 348.447 1.089 20 0 EDADLP CCn1cnc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000902121599 591923742 /nfs/dbraw/zinc/92/37/42/591923742.db2.gz KDERZUQIBRAVTP-UHFFFAOYSA-N 2 2 344.459 1.904 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CN2C[C@]3(CCCOC3)C2=O)C1 ZINC000902168911 591937324 /nfs/dbraw/zinc/93/73/24/591937324.db2.gz AZHDRJGDVRYEFR-AEFFLSMTSA-N 2 2 339.480 1.016 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CN2C[C@]3(CCCOC3)C2=O)C1 ZINC000902168911 591937325 /nfs/dbraw/zinc/93/73/25/591937325.db2.gz AZHDRJGDVRYEFR-AEFFLSMTSA-N 2 2 339.480 1.016 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CNc2cccc[nH+]2)C[C@H](C)O1 ZINC000900371650 591999259 /nfs/dbraw/zinc/99/92/59/591999259.db2.gz GEFJJGWNBUTQGN-XHSDSOJGSA-N 2 2 332.448 1.594 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CNc2cccc[nH+]2)C[C@H](C)O1 ZINC000900371650 591999261 /nfs/dbraw/zinc/99/92/61/591999261.db2.gz GEFJJGWNBUTQGN-XHSDSOJGSA-N 2 2 332.448 1.594 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902463727 592000323 /nfs/dbraw/zinc/00/03/23/592000323.db2.gz BBGSVDSMVQUODT-ARLBYUKCSA-N 2 2 337.464 1.049 20 0 EDADLP COc1cccc2c(N3CC[NH2+][C@@H]4CS(=O)(=O)C[C@@H]43)cc(C)[nH+]c12 ZINC000900393398 592005506 /nfs/dbraw/zinc/00/55/06/592005506.db2.gz HSRVOIZRYSVTBU-HIFRSBDPSA-N 2 2 347.440 1.127 20 0 EDADLP COc1cccc(O)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900447403 592020375 /nfs/dbraw/zinc/02/03/75/592020375.db2.gz YOOZBNGJDWRYAY-UHFFFAOYSA-N 2 2 347.459 1.689 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC000900575234 592056713 /nfs/dbraw/zinc/05/67/13/592056713.db2.gz XMTPGKXXYUKNLE-INIZCTEOSA-N 2 2 343.471 1.996 20 0 EDADLP C[C@H](c1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1)[NH+]1CCOCC1 ZINC000900589570 592060914 /nfs/dbraw/zinc/06/09/14/592060914.db2.gz KZEUHHWUIKGMEQ-DKSSEZFCSA-N 2 2 347.459 1.473 20 0 EDADLP C[C@H](c1ccc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1)[NH+]1CCOCC1 ZINC000900589570 592060917 /nfs/dbraw/zinc/06/09/17/592060917.db2.gz KZEUHHWUIKGMEQ-DKSSEZFCSA-N 2 2 347.459 1.473 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000900601094 592065438 /nfs/dbraw/zinc/06/54/38/592065438.db2.gz DMZQUXPMIBLHIN-MAUBAPBLSA-N 2 2 346.475 1.888 20 0 EDADLP Cc1[nH]nc(Cl)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900669694 592089790 /nfs/dbraw/zinc/08/97/90/592089790.db2.gz OUVUZLGFDXJEBL-CYBMUJFWSA-N 2 2 339.871 1.612 20 0 EDADLP Cc1[nH]nc(Cl)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900669694 592089792 /nfs/dbraw/zinc/08/97/92/592089792.db2.gz OUVUZLGFDXJEBL-CYBMUJFWSA-N 2 2 339.871 1.612 20 0 EDADLP COc1cccc(O)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900672469 592090507 /nfs/dbraw/zinc/09/05/07/592090507.db2.gz JAUZDTWEVROIIZ-ZDUSSCGKSA-N 2 2 333.432 1.299 20 0 EDADLP COc1cccc(O)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900672469 592090509 /nfs/dbraw/zinc/09/05/09/592090509.db2.gz JAUZDTWEVROIIZ-ZDUSSCGKSA-N 2 2 333.432 1.299 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)nn1 ZINC000902984466 592093219 /nfs/dbraw/zinc/09/32/19/592093219.db2.gz QVFDWUJESCVXPL-ZDUSSCGKSA-N 2 2 340.387 1.601 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000900693369 592097040 /nfs/dbraw/zinc/09/70/40/592097040.db2.gz QQDZPDDLOBJUSB-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000900693369 592097042 /nfs/dbraw/zinc/09/70/42/592097042.db2.gz QQDZPDDLOBJUSB-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903083564 592117502 /nfs/dbraw/zinc/11/75/02/592117502.db2.gz JCWZJQISNLHYGD-LJQANCHMSA-N 2 2 349.450 1.657 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000903095832 592122689 /nfs/dbraw/zinc/12/26/89/592122689.db2.gz QDDFYQMXRRYWAT-XOSAIJSUSA-N 2 2 347.507 1.292 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C ZINC000903095832 592122691 /nfs/dbraw/zinc/12/26/91/592122691.db2.gz QDDFYQMXRRYWAT-XOSAIJSUSA-N 2 2 347.507 1.292 20 0 EDADLP O=C1C[C@@H]([NH2+][C@@H](c2ccccn2)C2CC2)CN1CC[NH+]1CCOCC1 ZINC000903118634 592123642 /nfs/dbraw/zinc/12/36/42/592123642.db2.gz GFFZPCZWVMLAPO-VQIMIIECSA-N 2 2 344.459 1.055 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CN(C)CC[NH+]1C ZINC000900809936 592131323 /nfs/dbraw/zinc/13/13/23/592131323.db2.gz FPEGVTJTIJLPHB-GDAAHCPNSA-N 2 2 344.503 1.082 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CN(C)CC[NH+]1C ZINC000900809936 592131326 /nfs/dbraw/zinc/13/13/26/592131326.db2.gz FPEGVTJTIJLPHB-GDAAHCPNSA-N 2 2 344.503 1.082 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900809936 592131329 /nfs/dbraw/zinc/13/13/29/592131329.db2.gz FPEGVTJTIJLPHB-GDAAHCPNSA-N 2 2 344.503 1.082 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CN(C)CC[N@H+]1C ZINC000900809936 592131332 /nfs/dbraw/zinc/13/13/32/592131332.db2.gz FPEGVTJTIJLPHB-GDAAHCPNSA-N 2 2 344.503 1.082 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000900846583 592146573 /nfs/dbraw/zinc/14/65/73/592146573.db2.gz IEIIPSKIRKSRMD-OAHLLOKOSA-N 2 2 327.432 1.771 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000900846583 592146576 /nfs/dbraw/zinc/14/65/76/592146576.db2.gz IEIIPSKIRKSRMD-OAHLLOKOSA-N 2 2 327.432 1.771 20 0 EDADLP C1C[C@H]([NH+]2CCC([NH2+][C@H]3CCCN4CCSC[C@@H]34)CC2)CO1 ZINC000903272982 592149741 /nfs/dbraw/zinc/14/97/41/592149741.db2.gz SCYSDFMWDGYXFD-ULQDDVLXSA-N 2 2 325.522 1.409 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)NCc1ccc(OC(F)F)cc1 ZINC000903468852 592174564 /nfs/dbraw/zinc/17/45/64/592174564.db2.gz OUYBTBZKTFYESJ-AWEZNQCLSA-N 2 2 339.386 1.778 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903467853 592174815 /nfs/dbraw/zinc/17/48/15/592174815.db2.gz FAUQOSUKTPAEJY-QGZVFWFLSA-N 2 2 331.460 1.788 20 0 EDADLP O=C1CC[C@@H]([NH2+]Cc2noc(C3CCC3)n2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903526477 592198397 /nfs/dbraw/zinc/19/83/97/592198397.db2.gz HRHLSWLQIITEKF-CJNGLKHVSA-N 2 2 333.436 1.074 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901089043 592228873 /nfs/dbraw/zinc/22/88/73/592228873.db2.gz NOBXBZUYWCAJJL-BDXSIMOUSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901089043 592228875 /nfs/dbraw/zinc/22/88/75/592228875.db2.gz NOBXBZUYWCAJJL-BDXSIMOUSA-N 2 2 335.492 1.763 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661699 592243527 /nfs/dbraw/zinc/24/35/27/592243527.db2.gz SVSSCJVSUXGFRF-SJORKVTESA-N 3 2 336.524 1.393 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661699 592243523 /nfs/dbraw/zinc/24/35/23/592243523.db2.gz SVSSCJVSUXGFRF-SJORKVTESA-N 3 2 336.524 1.393 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661699 592243524 /nfs/dbraw/zinc/24/35/24/592243524.db2.gz SVSSCJVSUXGFRF-SJORKVTESA-N 3 2 336.524 1.393 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661699 592243530 /nfs/dbraw/zinc/24/35/30/592243530.db2.gz SVSSCJVSUXGFRF-SJORKVTESA-N 3 2 336.524 1.393 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)o2)CC[C@H]1C(F)(F)F ZINC000904380929 592246395 /nfs/dbraw/zinc/24/63/95/592246395.db2.gz QHQBJWBOCOAIQM-TZMCWYRMSA-N 3 2 346.397 1.648 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000901158805 592248917 /nfs/dbraw/zinc/24/89/17/592248917.db2.gz SMIDWVTWVGAYFH-QGZVFWFLSA-N 2 2 347.507 1.683 20 0 EDADLP [NH3+][C@]1(CO)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000904402757 592249493 /nfs/dbraw/zinc/24/94/93/592249493.db2.gz ZWRHIJNVOJAROG-LJQANCHMSA-N 3 2 333.476 1.447 20 0 EDADLP [NH3+][C@]1(CO)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000904402757 592249495 /nfs/dbraw/zinc/24/94/95/592249495.db2.gz ZWRHIJNVOJAROG-LJQANCHMSA-N 3 2 333.476 1.447 20 0 EDADLP COC(=O)COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000904461004 592265847 /nfs/dbraw/zinc/26/58/47/592265847.db2.gz DEHJZFAEDWPULE-IEBWSBKVSA-N 2 2 326.396 1.953 20 0 EDADLP Cn1c2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)cc2[nH+]c1C1CC1 ZINC000908057429 592278084 /nfs/dbraw/zinc/27/80/84/592278084.db2.gz ZPSLHNYTAHYUFC-IFXJQAMLSA-N 2 2 342.443 1.522 20 0 EDADLP Cn1c2ccc(CNC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)cc2[nH+]c1C1CC1 ZINC000908057429 592278086 /nfs/dbraw/zinc/27/80/86/592278086.db2.gz ZPSLHNYTAHYUFC-IFXJQAMLSA-N 2 2 342.443 1.522 20 0 EDADLP C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719081 592281857 /nfs/dbraw/zinc/28/18/57/592281857.db2.gz VCMYJGGOBYRQEQ-AWEZNQCLSA-N 2 2 342.443 1.926 20 0 EDADLP C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719081 592281860 /nfs/dbraw/zinc/28/18/60/592281860.db2.gz VCMYJGGOBYRQEQ-AWEZNQCLSA-N 2 2 342.443 1.926 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCCC[C@H]3C3(C[NH3+])CCC3)cc2C1 ZINC000904541409 592284141 /nfs/dbraw/zinc/28/41/41/592284141.db2.gz YKPFXADLBPOYNK-HNNXBMFYSA-N 2 2 346.479 1.844 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCCC[C@H]3C3(C[NH3+])CCC3)cc2C1 ZINC000904541409 592284144 /nfs/dbraw/zinc/28/41/44/592284144.db2.gz YKPFXADLBPOYNK-HNNXBMFYSA-N 2 2 346.479 1.844 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903733912 592298248 /nfs/dbraw/zinc/29/82/48/592298248.db2.gz SHCSCGSYLFAZQJ-QZTJIDSGSA-N 2 2 336.524 1.395 20 0 EDADLP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903733912 592298252 /nfs/dbraw/zinc/29/82/52/592298252.db2.gz SHCSCGSYLFAZQJ-QZTJIDSGSA-N 2 2 336.524 1.395 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)CNc2cccc[nH+]2)cc1 ZINC000908092155 592299043 /nfs/dbraw/zinc/29/90/43/592299043.db2.gz MGPTYQIZFQXXAA-MRXNPFEDSA-N 2 2 328.416 1.921 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741218 592303275 /nfs/dbraw/zinc/30/32/75/592303275.db2.gz ONSRJWFBPJGSGO-MOPGFXCFSA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741218 592303278 /nfs/dbraw/zinc/30/32/78/592303278.db2.gz ONSRJWFBPJGSGO-MOPGFXCFSA-N 3 2 338.540 1.103 20 0 EDADLP O=C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)N1CCc2ccccc21 ZINC000903814128 592323675 /nfs/dbraw/zinc/32/36/75/592323675.db2.gz KMOBWYULPYWUDN-UHFFFAOYSA-N 2 2 329.444 1.420 20 0 EDADLP O=C(C[N@H+]1CC[NH2+]CCC12CCOCC2)N1CCc2ccccc21 ZINC000903814128 592323677 /nfs/dbraw/zinc/32/36/77/592323677.db2.gz KMOBWYULPYWUDN-UHFFFAOYSA-N 2 2 329.444 1.420 20 0 EDADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816212 592323978 /nfs/dbraw/zinc/32/39/78/592323978.db2.gz VGFAKZUIVLAIJF-SJORKVTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816212 592323981 /nfs/dbraw/zinc/32/39/81/592323981.db2.gz VGFAKZUIVLAIJF-SJORKVTESA-N 2 2 337.508 1.868 20 0 EDADLP O=C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)NCCOc1ccccc1 ZINC000903816612 592325033 /nfs/dbraw/zinc/32/50/33/592325033.db2.gz XMGQPSFSEQYQLE-UHFFFAOYSA-N 2 2 347.459 1.026 20 0 EDADLP O=C(C[N@H+]1CC[NH2+]CCC12CCOCC2)NCCOc1ccccc1 ZINC000903816612 592325038 /nfs/dbraw/zinc/32/50/38/592325038.db2.gz XMGQPSFSEQYQLE-UHFFFAOYSA-N 2 2 347.459 1.026 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CC(=O)Nc2cc(C)ccn2)cnn1C ZINC000903888652 592351444 /nfs/dbraw/zinc/35/14/44/592351444.db2.gz IBQHQPLIXNDXLV-HNNXBMFYSA-N 2 2 344.463 1.120 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CC(=O)Nc2cc(C)ccn2)cnn1C ZINC000903888652 592351448 /nfs/dbraw/zinc/35/14/48/592351448.db2.gz IBQHQPLIXNDXLV-HNNXBMFYSA-N 2 2 344.463 1.120 20 0 EDADLP CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903890853 592352881 /nfs/dbraw/zinc/35/28/81/592352881.db2.gz GUHBOTFVUZYGRJ-HUUCEWRRSA-N 2 2 348.495 1.329 20 0 EDADLP CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903890853 592352885 /nfs/dbraw/zinc/35/28/85/592352885.db2.gz GUHBOTFVUZYGRJ-HUUCEWRRSA-N 2 2 348.495 1.329 20 0 EDADLP CNC(=O)c1ccc(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903876948 592357719 /nfs/dbraw/zinc/35/77/19/592357719.db2.gz JBBPQXQFEJGDAM-MRXNPFEDSA-N 2 2 342.447 1.194 20 0 EDADLP CNC(=O)c1ccc(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903876948 592357721 /nfs/dbraw/zinc/35/77/21/592357721.db2.gz JBBPQXQFEJGDAM-MRXNPFEDSA-N 2 2 342.447 1.194 20 0 EDADLP COc1cc(C[NH+]2CCN(C[C@@H]([NH3+])CC(F)F)CC2)cc(OC)c1 ZINC000903899355 592370440 /nfs/dbraw/zinc/37/04/40/592370440.db2.gz SZJYJZJIPBJWCD-AWEZNQCLSA-N 2 2 343.418 1.804 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cnn1C ZINC000903913975 592376115 /nfs/dbraw/zinc/37/61/15/592376115.db2.gz QYDMDMPSDIUQIU-HZPDHXFCSA-N 3 2 330.480 1.459 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cnn1C ZINC000903913975 592376119 /nfs/dbraw/zinc/37/61/19/592376119.db2.gz QYDMDMPSDIUQIU-HZPDHXFCSA-N 3 2 330.480 1.459 20 0 EDADLP CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903939999 592391487 /nfs/dbraw/zinc/39/14/87/592391487.db2.gz SPXCRSMCEDDLMC-DGCLKSJQSA-N 2 2 333.358 1.356 20 0 EDADLP CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903939999 592391490 /nfs/dbraw/zinc/39/14/90/592391490.db2.gz SPXCRSMCEDDLMC-DGCLKSJQSA-N 2 2 333.358 1.356 20 0 EDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(Cl)nc(Cl)n1C)C2 ZINC000903979226 592400490 /nfs/dbraw/zinc/40/04/90/592400490.db2.gz YXWHODSMZNKIFX-QIBSRJKCSA-N 2 2 347.246 1.439 20 0 EDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1c(Cl)nc(Cl)n1C)C2 ZINC000903979226 592400493 /nfs/dbraw/zinc/40/04/93/592400493.db2.gz YXWHODSMZNKIFX-QIBSRJKCSA-N 2 2 347.246 1.439 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CNCCS2(=O)=O)n1-c1ccccc1 ZINC000903968907 592403224 /nfs/dbraw/zinc/40/32/24/592403224.db2.gz PYNLEJJBPKAYIY-QGZVFWFLSA-N 2 2 348.472 1.047 20 0 EDADLP C[NH2+]CCOc1ccccc1-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000904098947 592425076 /nfs/dbraw/zinc/42/50/76/592425076.db2.gz JIFGQSLLXGECLV-AWEZNQCLSA-N 2 2 329.404 1.007 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906916902 592425452 /nfs/dbraw/zinc/42/54/52/592425452.db2.gz SUAWXGBXRRITSL-IAGOWNOFSA-N 2 2 348.491 1.423 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906971856 592444383 /nfs/dbraw/zinc/44/43/83/592444383.db2.gz UUGMUAJWPLRVNY-IAGOWNOFSA-N 2 2 348.491 1.279 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906971856 592444386 /nfs/dbraw/zinc/44/43/86/592444386.db2.gz UUGMUAJWPLRVNY-IAGOWNOFSA-N 2 2 348.491 1.279 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CCC1 ZINC000905274456 592489438 /nfs/dbraw/zinc/48/94/38/592489438.db2.gz SNCXUZPZIGKGHA-AZUAARDMSA-N 2 2 348.487 1.533 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CCC1 ZINC000905274456 592489441 /nfs/dbraw/zinc/48/94/41/592489441.db2.gz SNCXUZPZIGKGHA-AZUAARDMSA-N 2 2 348.487 1.533 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000905345081 592500658 /nfs/dbraw/zinc/50/06/58/592500658.db2.gz LDFSRMGZQQIQCL-RBUKOAKNSA-N 2 2 348.487 1.051 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000905345081 592500660 /nfs/dbraw/zinc/50/06/60/592500660.db2.gz LDFSRMGZQQIQCL-RBUKOAKNSA-N 2 2 348.487 1.051 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2cc(N(C)C)cc[nH+]2)c1 ZINC000905526140 592561529 /nfs/dbraw/zinc/56/15/29/592561529.db2.gz RZVKBJPTOCMHFV-KRWDZBQOSA-N 2 2 331.416 1.988 20 0 EDADLP Cc1ccc(NCC[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)nc1 ZINC000905606005 592576524 /nfs/dbraw/zinc/57/65/24/592576524.db2.gz ULCHECXTLXHKGD-IBGZPJMESA-N 2 2 340.471 1.811 20 0 EDADLP Cc1ccc(NCC[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)nc1 ZINC000905606005 592576526 /nfs/dbraw/zinc/57/65/26/592576526.db2.gz ULCHECXTLXHKGD-IBGZPJMESA-N 2 2 340.471 1.811 20 0 EDADLP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)Nc1ccccc1F ZINC000905619923 592587529 /nfs/dbraw/zinc/58/75/29/592587529.db2.gz ONSXJWSKFIRQTI-OAHLLOKOSA-N 2 2 335.423 1.997 20 0 EDADLP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)Nc1ccccc1F ZINC000905619923 592587532 /nfs/dbraw/zinc/58/75/32/592587532.db2.gz ONSXJWSKFIRQTI-OAHLLOKOSA-N 2 2 335.423 1.997 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(F)c(F)c1 ZINC000905617475 592595410 /nfs/dbraw/zinc/59/54/10/592595410.db2.gz DMXIYHDQRUZEHJ-RHSMWYFYSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(F)c(F)c1 ZINC000905617475 592595413 /nfs/dbraw/zinc/59/54/13/592595413.db2.gz DMXIYHDQRUZEHJ-RHSMWYFYSA-N 2 2 326.387 1.841 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CC[NH2+]CCC34CCC4)nc[nH+]2)C1 ZINC000905658684 592598971 /nfs/dbraw/zinc/59/89/71/592598971.db2.gz DXGWHSISCSNBCM-HNNXBMFYSA-N 2 2 331.464 1.408 20 0 EDADLP [NH3+][C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[C@H]1C(F)(F)F ZINC000905721167 592624363 /nfs/dbraw/zinc/62/43/63/592624363.db2.gz YZLHRDILDRGRQP-GHMZBOCLSA-N 2 2 331.342 1.029 20 0 EDADLP [NH3+][C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[C@H]1C(F)(F)F ZINC000905721168 592624810 /nfs/dbraw/zinc/62/48/10/592624810.db2.gz YZLHRDILDRGRQP-MNOVXSKESA-N 2 2 331.342 1.029 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905925575 592684622 /nfs/dbraw/zinc/68/46/22/592684622.db2.gz USOKTWUAQKQDGC-KBXCAEBGSA-N 2 2 333.432 1.091 20 0 EDADLP CC[C@](O)(C[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(F)(F)F ZINC000905937145 592689325 /nfs/dbraw/zinc/68/93/25/592689325.db2.gz ZUJNWWKQEIPADO-FZMZJTMJSA-N 2 2 347.385 1.780 20 0 EDADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000907572484 592716019 /nfs/dbraw/zinc/71/60/19/592716019.db2.gz DYJVBLBBAYFEHC-CQSZACIVSA-N 2 2 345.472 1.922 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC000907572484 592716022 /nfs/dbraw/zinc/71/60/22/592716022.db2.gz DYJVBLBBAYFEHC-CQSZACIVSA-N 2 2 345.472 1.922 20 0 EDADLP Cc1ccc(-n2cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)nn2)cc1 ZINC000906307780 592790997 /nfs/dbraw/zinc/79/09/97/592790997.db2.gz NOEKILGBCGKZEN-UHFFFAOYSA-N 2 2 344.507 1.891 20 0 EDADLP Cc1ccc(-n2cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)nn2)cc1 ZINC000906307780 592790998 /nfs/dbraw/zinc/79/09/98/592790998.db2.gz NOEKILGBCGKZEN-UHFFFAOYSA-N 2 2 344.507 1.891 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4[nH]ccc4n3)CC2)CC1 ZINC000906464370 592828661 /nfs/dbraw/zinc/82/86/61/592828661.db2.gz AZEFXQSWPGJUGC-UHFFFAOYSA-N 2 2 341.459 1.851 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CCC[C@H]3C[NH+](C)C)co2)C1 ZINC000906525627 592841135 /nfs/dbraw/zinc/84/11/35/592841135.db2.gz WZFGOELHSBPDRT-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CCC[C@H]3C[NH+](C)C)co2)C1 ZINC000906525627 592841138 /nfs/dbraw/zinc/84/11/38/592841138.db2.gz WZFGOELHSBPDRT-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906644416 592865374 /nfs/dbraw/zinc/86/53/74/592865374.db2.gz NOTANYMNJUHKJG-KRWDZBQOSA-N 2 2 348.491 1.425 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000911022997 592908859 /nfs/dbraw/zinc/90/88/59/592908859.db2.gz RMXQZSXCYFJLMK-CVEARBPZSA-N 2 2 346.475 1.263 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000911022997 592908860 /nfs/dbraw/zinc/90/88/60/592908860.db2.gz RMXQZSXCYFJLMK-CVEARBPZSA-N 2 2 346.475 1.263 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1C[C@H]([NH+]3CCOCC3)C1(C)C)CC2 ZINC000911849387 593026069 /nfs/dbraw/zinc/02/60/69/593026069.db2.gz ZBDQKFJPIOBXTK-OIISXLGYSA-N 2 2 346.475 1.369 20 0 EDADLP C[NH+]1CCC(N(CCO)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000911948045 593037818 /nfs/dbraw/zinc/03/78/18/593037818.db2.gz XYTXFIJTWBVJSW-UHFFFAOYSA-N 2 2 342.443 1.330 20 0 EDADLP O=C(CNc1cccc[nH+]1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000912285077 593082777 /nfs/dbraw/zinc/08/27/77/593082777.db2.gz GANGRJLRGKLEOB-UHFFFAOYSA-N 2 2 332.448 1.501 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c(=O)cc1C(F)(F)F ZINC000912386288 593090084 /nfs/dbraw/zinc/09/00/84/593090084.db2.gz CMFKHUMDFPLAEM-UHFFFAOYSA-N 2 2 348.369 1.419 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cc1C(F)(F)F ZINC000912386288 593090085 /nfs/dbraw/zinc/09/00/85/593090085.db2.gz CMFKHUMDFPLAEM-UHFFFAOYSA-N 2 2 348.369 1.419 20 0 EDADLP Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(N(C)C)[nH+]1 ZINC000784456550 593139466 /nfs/dbraw/zinc/13/94/66/593139466.db2.gz SESHOVPEJKZRQB-OAHLLOKOSA-N 2 2 347.463 1.642 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000805763182 593140364 /nfs/dbraw/zinc/14/03/64/593140364.db2.gz QLKVGSMREZCKOI-CVEARBPZSA-N 2 2 327.469 1.386 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000805763182 593140367 /nfs/dbraw/zinc/14/03/67/593140367.db2.gz QLKVGSMREZCKOI-CVEARBPZSA-N 2 2 327.469 1.386 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC[N@@H+]1CCOC ZINC000838632880 593198587 /nfs/dbraw/zinc/19/85/87/593198587.db2.gz ICEQZTHYLZOUAL-LSDHHAIUSA-N 2 2 335.452 1.470 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC[N@H+]1CCOC ZINC000838632880 593198589 /nfs/dbraw/zinc/19/85/89/593198589.db2.gz ICEQZTHYLZOUAL-LSDHHAIUSA-N 2 2 335.452 1.470 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000838932314 593241177 /nfs/dbraw/zinc/24/11/77/593241177.db2.gz PGLYMGSVZUAFAE-HNNXBMFYSA-N 2 2 325.416 1.496 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000838932314 593241179 /nfs/dbraw/zinc/24/11/79/593241179.db2.gz PGLYMGSVZUAFAE-HNNXBMFYSA-N 2 2 325.416 1.496 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000802733138 593274084 /nfs/dbraw/zinc/27/40/84/593274084.db2.gz UFOMPJNEDYXGEI-CRAIPNDOSA-N 2 2 345.447 1.978 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000802733138 593274085 /nfs/dbraw/zinc/27/40/85/593274085.db2.gz UFOMPJNEDYXGEI-CRAIPNDOSA-N 2 2 345.447 1.978 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)[C@@H](C2CC2)[C@]12CCCO2 ZINC000840012384 593347495 /nfs/dbraw/zinc/34/74/95/593347495.db2.gz RDCWZDYONOKDTI-IMFGXOCKSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)[C@@H](C2CC2)[C@]12CCCO2 ZINC000840012384 593347496 /nfs/dbraw/zinc/34/74/96/593347496.db2.gz RDCWZDYONOKDTI-IMFGXOCKSA-N 2 2 347.503 1.922 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025442 593388223 /nfs/dbraw/zinc/38/82/23/593388223.db2.gz CGYXEJFWDDQQFZ-MJQMVNBJSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025442 593388225 /nfs/dbraw/zinc/38/82/25/593388225.db2.gz CGYXEJFWDDQQFZ-MJQMVNBJSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025442 593388227 /nfs/dbraw/zinc/38/82/27/593388227.db2.gz CGYXEJFWDDQQFZ-MJQMVNBJSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025442 593388229 /nfs/dbraw/zinc/38/82/29/593388229.db2.gz CGYXEJFWDDQQFZ-MJQMVNBJSA-N 2 2 335.492 1.776 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C[C@@](C)(c3ccccn3)CC2=O)C1 ZINC000758242420 593398002 /nfs/dbraw/zinc/39/80/02/593398002.db2.gz MXXWJHDDDRGGQW-BEFAXECRSA-N 2 2 339.443 1.752 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C[C@@](C)(c3ccccn3)CC2=O)C1 ZINC000758242420 593398005 /nfs/dbraw/zinc/39/80/05/593398005.db2.gz MXXWJHDDDRGGQW-BEFAXECRSA-N 2 2 339.443 1.752 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000811759233 593479584 /nfs/dbraw/zinc/47/95/84/593479584.db2.gz BPPLORXJIFLIFE-NJAFHUGGSA-N 2 2 348.535 1.549 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000811759233 593479585 /nfs/dbraw/zinc/47/95/85/593479585.db2.gz BPPLORXJIFLIFE-NJAFHUGGSA-N 2 2 348.535 1.549 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1ccccc1 ZINC000812836297 593510452 /nfs/dbraw/zinc/51/04/52/593510452.db2.gz YFWPKKBPHXDHGR-MRXNPFEDSA-N 2 2 333.457 1.871 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCC[NH2+]1 ZINC000817896586 593646823 /nfs/dbraw/zinc/64/68/23/593646823.db2.gz LLJZNGIUKCBTOI-LERXQTSPSA-N 2 2 326.824 1.875 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000817906757 593647280 /nfs/dbraw/zinc/64/72/80/593647280.db2.gz FNPIFAIECRPHRF-XJKCOSOUSA-N 2 2 341.477 1.476 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931352 593649835 /nfs/dbraw/zinc/64/98/35/593649835.db2.gz QWLGFGOVANBRSZ-UGFHNGPFSA-N 2 2 343.265 1.839 20 0 EDADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819020639 593734225 /nfs/dbraw/zinc/73/42/25/593734225.db2.gz GQLQMMDUQSQECC-HOTGVXAUSA-N 2 2 341.496 1.678 20 0 EDADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819020639 593734226 /nfs/dbraw/zinc/73/42/26/593734226.db2.gz GQLQMMDUQSQECC-HOTGVXAUSA-N 2 2 341.496 1.678 20 0 EDADLP CN(C[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C(=O)OC(C)(C)C ZINC000819039764 593734992 /nfs/dbraw/zinc/73/49/92/593734992.db2.gz SFQCLWZEWXDMOS-LSDHHAIUSA-N 2 2 327.469 1.288 20 0 EDADLP CN(C[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C(=O)OC(C)(C)C ZINC000819039764 593734993 /nfs/dbraw/zinc/73/49/93/593734993.db2.gz SFQCLWZEWXDMOS-LSDHHAIUSA-N 2 2 327.469 1.288 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819045868 593735406 /nfs/dbraw/zinc/73/54/06/593735406.db2.gz JSHKMLRSTNVVSB-INIZCTEOSA-N 2 2 341.402 1.140 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000819265874 593747632 /nfs/dbraw/zinc/74/76/32/593747632.db2.gz SVEWBVASYCENQL-JKSUJKDBSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000819265874 593747633 /nfs/dbraw/zinc/74/76/33/593747633.db2.gz SVEWBVASYCENQL-JKSUJKDBSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccnc2-n2cc[nH+]c2)CC1 ZINC000820807822 593894526 /nfs/dbraw/zinc/89/45/26/593894526.db2.gz RRZZCMIHUBISBI-UHFFFAOYSA-N 3 2 329.448 1.592 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000821348019 594023992 /nfs/dbraw/zinc/02/39/92/594023992.db2.gz KYKBBYULBWFLAA-RTBURBONSA-N 2 2 336.476 1.371 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000821348019 594023995 /nfs/dbraw/zinc/02/39/95/594023995.db2.gz KYKBBYULBWFLAA-RTBURBONSA-N 2 2 336.476 1.371 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824586308 594043044 /nfs/dbraw/zinc/04/30/44/594043044.db2.gz XVCBRCNGFZHIMK-VBNZEHGJSA-N 2 2 328.420 1.381 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824586308 594043046 /nfs/dbraw/zinc/04/30/46/594043046.db2.gz XVCBRCNGFZHIMK-VBNZEHGJSA-N 2 2 328.420 1.381 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1 ZINC000823113701 594155115 /nfs/dbraw/zinc/15/51/15/594155115.db2.gz DOAXBAMUPCTGLD-LFDJNIOPSA-N 2 2 347.503 1.428 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)CC1 ZINC000823113701 594155116 /nfs/dbraw/zinc/15/51/16/594155116.db2.gz DOAXBAMUPCTGLD-LFDJNIOPSA-N 2 2 347.503 1.428 20 0 EDADLP Fc1ccc(C[N@@H+]2CCC[C@H]2c2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823304318 594182584 /nfs/dbraw/zinc/18/25/84/594182584.db2.gz QVOYJGNQRYILKT-HNNXBMFYSA-N 2 2 331.395 1.955 20 0 EDADLP Fc1ccc(C[N@H+]2CCC[C@H]2c2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823304318 594182586 /nfs/dbraw/zinc/18/25/86/594182586.db2.gz QVOYJGNQRYILKT-HNNXBMFYSA-N 2 2 331.395 1.955 20 0 EDADLP CCn1nc(C)c(CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000823476922 594207339 /nfs/dbraw/zinc/20/73/39/594207339.db2.gz DGYCEIAMSIAZHB-UHFFFAOYSA-N 2 2 334.512 1.597 20 0 EDADLP O=C(NC1CC([NH+]2CCOCC2)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000823621000 594222164 /nfs/dbraw/zinc/22/21/64/594222164.db2.gz LTPFRVRQSHYQDW-UHFFFAOYSA-N 2 2 347.459 1.859 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000827549160 594230289 /nfs/dbraw/zinc/23/02/89/594230289.db2.gz CLHAVNHCHWYWLW-GPANFISMSA-N 2 2 339.480 1.885 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000825985512 594298146 /nfs/dbraw/zinc/29/81/46/594298146.db2.gz OHULZYJXFFPNOG-SFHVURJKSA-N 2 2 335.423 1.349 20 0 EDADLP CN(C)C(=O)OC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000826017514 594306877 /nfs/dbraw/zinc/30/68/77/594306877.db2.gz RLWMIYNEYOEMJS-UHFFFAOYSA-N 2 2 329.404 1.930 20 0 EDADLP CCc1cc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n(C)n1 ZINC000828141230 594349943 /nfs/dbraw/zinc/34/99/43/594349943.db2.gz MFSXVLLQPYPZIW-UHFFFAOYSA-N 2 2 342.447 1.311 20 0 EDADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000826507007 594507902 /nfs/dbraw/zinc/50/79/02/594507902.db2.gz HIALWWVTPGIMPN-KRWDZBQOSA-N 2 2 342.447 1.192 20 0 EDADLP c1cc(-c2nn[nH]n2)sc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000826515296 594513308 /nfs/dbraw/zinc/51/33/08/594513308.db2.gz UJJRQPARGPYARC-GFCCVEGCSA-N 2 2 334.449 1.082 20 0 EDADLP c1cc(-c2nn[nH]n2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000826515296 594513310 /nfs/dbraw/zinc/51/33/10/594513310.db2.gz UJJRQPARGPYARC-GFCCVEGCSA-N 2 2 334.449 1.082 20 0 EDADLP c1sc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000826526568 594519599 /nfs/dbraw/zinc/51/95/99/594519599.db2.gz DIKDOTCIQZIQIE-GFCCVEGCSA-N 2 2 334.449 1.082 20 0 EDADLP c1sc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1-c1nn[nH]n1 ZINC000826526568 594519600 /nfs/dbraw/zinc/51/96/00/594519600.db2.gz DIKDOTCIQZIQIE-GFCCVEGCSA-N 2 2 334.449 1.082 20 0 EDADLP [NH3+]CCCCCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000831099239 594555913 /nfs/dbraw/zinc/55/59/13/594555913.db2.gz DECKTTXSZPPVRQ-SFHVURJKSA-N 2 2 348.491 1.878 20 0 EDADLP CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1(C)C ZINC000831344287 594611373 /nfs/dbraw/zinc/61/13/73/594611373.db2.gz QPZBGTXMJNDRIK-APWZRJJASA-N 2 2 349.475 1.717 20 0 EDADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cnn(-c4ccccc4)n3)CC2)C1 ZINC000841104745 594851727 /nfs/dbraw/zinc/85/17/27/594851727.db2.gz ZSNNGLHHNSBMFA-QFBILLFUSA-N 2 2 341.459 1.986 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)NCC1([NH3+])CCC1)c1[nH+]ccn1C ZINC000841670251 594933170 /nfs/dbraw/zinc/93/31/70/594933170.db2.gz QIUMQGHEFVJYRS-OAHLLOKOSA-N 2 2 343.431 1.699 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C[NH3+] ZINC000841672332 594933568 /nfs/dbraw/zinc/93/35/68/594933568.db2.gz ATEDMNNLTYLBTP-UKRRQHHQSA-N 2 2 328.420 1.394 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NC/C=C\C[NH3+])CC2)cc1 ZINC000841838310 594961762 /nfs/dbraw/zinc/96/17/62/594961762.db2.gz XARYTGBGLNEHFV-ARJAWSKDSA-N 2 2 331.464 1.536 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)NC/C=C\C[NH3+])CC2)cc1 ZINC000841838310 594961764 /nfs/dbraw/zinc/96/17/64/594961764.db2.gz XARYTGBGLNEHFV-ARJAWSKDSA-N 2 2 331.464 1.536 20 0 EDADLP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@H]1CSC[NH2+]1 ZINC000841847488 594964628 /nfs/dbraw/zinc/96/46/28/594964628.db2.gz ZCJHZXXSHKOCMF-UONOGXRCSA-N 2 2 335.429 1.196 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000836698729 594989366 /nfs/dbraw/zinc/98/93/66/594989366.db2.gz AIGUKPZMUVUCDV-AWEZNQCLSA-N 2 2 347.467 1.878 20 0 EDADLP CSCC[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000843197744 595030218 /nfs/dbraw/zinc/03/02/18/595030218.db2.gz HUCVVMNRFBVRAG-ZDUSSCGKSA-N 2 2 348.476 1.636 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842474946 595114088 /nfs/dbraw/zinc/11/40/88/595114088.db2.gz GTAJOROITSTXJV-SGTLLEGYSA-N 2 2 343.431 1.671 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842474946 595114092 /nfs/dbraw/zinc/11/40/92/595114092.db2.gz GTAJOROITSTXJV-SGTLLEGYSA-N 2 2 343.431 1.671 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCCCCC[NH3+] ZINC000843041479 595271396 /nfs/dbraw/zinc/27/13/96/595271396.db2.gz CTLVYCOEVOSIHQ-UHFFFAOYSA-N 2 2 335.452 1.867 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)cc2)CC1 ZINC000844128191 595282030 /nfs/dbraw/zinc/28/20/30/595282030.db2.gz JTNLGPRGZWZFCK-HNNXBMFYSA-N 2 2 339.443 1.836 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843090727 595285224 /nfs/dbraw/zinc/28/52/24/595285224.db2.gz ZULXTMYSVKRXKQ-CJNGLKHVSA-N 2 2 330.831 1.949 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843090727 595285226 /nfs/dbraw/zinc/28/52/26/595285226.db2.gz ZULXTMYSVKRXKQ-CJNGLKHVSA-N 2 2 330.831 1.949 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2Cl)CC1 ZINC000844190165 595297881 /nfs/dbraw/zinc/29/78/81/595297881.db2.gz CWZXXRAEDDNATQ-ZDUSSCGKSA-N 2 2 340.880 1.693 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000844219935 595305695 /nfs/dbraw/zinc/30/56/95/595305695.db2.gz OYGJDWMAKNJLBR-PBHICJAKSA-N 2 2 332.448 1.131 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000844219935 595305697 /nfs/dbraw/zinc/30/56/97/595305697.db2.gz OYGJDWMAKNJLBR-PBHICJAKSA-N 2 2 332.448 1.131 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000844224178 595308418 /nfs/dbraw/zinc/30/84/18/595308418.db2.gz DKXNUEWBICRVRZ-CABCVRRESA-N 2 2 347.507 1.400 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000844224178 595308421 /nfs/dbraw/zinc/30/84/21/595308421.db2.gz DKXNUEWBICRVRZ-CABCVRRESA-N 2 2 347.507 1.400 20 0 EDADLP O=C1N[C@H]2C[N@H+](Cc3ccnc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000844226604 595309720 /nfs/dbraw/zinc/30/97/20/595309720.db2.gz PAJNQWSZLHJDQA-LSDHHAIUSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000844226604 595309721 /nfs/dbraw/zinc/30/97/21/595309721.db2.gz PAJNQWSZLHJDQA-LSDHHAIUSA-N 2 2 349.866 1.455 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000846838127 595324628 /nfs/dbraw/zinc/32/46/28/595324628.db2.gz LZOGLZJCKHWCGF-UONOGXRCSA-N 2 2 338.452 1.485 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000846838127 595324631 /nfs/dbraw/zinc/32/46/31/595324631.db2.gz LZOGLZJCKHWCGF-UONOGXRCSA-N 2 2 338.452 1.485 20 0 EDADLP CC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000846950146 595341625 /nfs/dbraw/zinc/34/16/25/595341625.db2.gz LAPHJTGUWXCCSA-UHFFFAOYSA-N 2 2 349.500 1.693 20 0 EDADLP COCCOCC[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000844467957 595347643 /nfs/dbraw/zinc/34/76/43/595347643.db2.gz QDTRCXFJEFBAQV-UHFFFAOYSA-N 2 2 345.447 1.048 20 0 EDADLP CC(C)O[C@@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000844718458 595382846 /nfs/dbraw/zinc/38/28/46/595382846.db2.gz VNNCDFSSMSCTCA-SJLPKXTDSA-N 2 2 337.464 1.750 20 0 EDADLP CC(C)O[C@@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000844718458 595382848 /nfs/dbraw/zinc/38/28/48/595382848.db2.gz VNNCDFSSMSCTCA-SJLPKXTDSA-N 2 2 337.464 1.750 20 0 EDADLP Cc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000848535309 595403436 /nfs/dbraw/zinc/40/34/36/595403436.db2.gz YJXVCYDOMNMEAN-MOPGFXCFSA-N 2 2 343.471 1.943 20 0 EDADLP COCOc1ccc(OC)cc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000848557876 595405148 /nfs/dbraw/zinc/40/51/48/595405148.db2.gz IAZUOWVOGJQYNE-UHFFFAOYSA-N 2 2 338.448 1.614 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000845451116 595499721 /nfs/dbraw/zinc/49/97/21/595499721.db2.gz MHVFIWMWTWECRS-SJLPKXTDSA-N 2 2 342.443 1.712 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852858848 595580197 /nfs/dbraw/zinc/58/01/97/595580197.db2.gz JFIHFGNKYFIEMK-CQSZACIVSA-N 2 2 339.321 1.426 20 0 EDADLP [NH3+]C[C@@H]1CC(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)=NO1 ZINC000852867158 595586979 /nfs/dbraw/zinc/58/69/79/595586979.db2.gz RQXXBVAMRJGDTL-AWEZNQCLSA-N 2 2 331.420 1.182 20 0 EDADLP O=C1OC[C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]12 ZINC000860167052 595603601 /nfs/dbraw/zinc/60/36/01/595603601.db2.gz ZONRHUJDVXCFKI-WMZOPIPTSA-N 2 2 329.444 1.304 20 0 EDADLP O=C1OC[C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]12 ZINC000860167052 595603606 /nfs/dbraw/zinc/60/36/06/595603606.db2.gz ZONRHUJDVXCFKI-WMZOPIPTSA-N 2 2 329.444 1.304 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000109754839 595721707 /nfs/dbraw/zinc/72/17/07/595721707.db2.gz DMNQEOVAPGRQGF-OALUTQOASA-N 2 2 335.467 1.961 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000109754839 595721711 /nfs/dbraw/zinc/72/17/11/595721711.db2.gz DMNQEOVAPGRQGF-OALUTQOASA-N 2 2 335.467 1.961 20 0 EDADLP Cc1c[nH+]cn1CC(=O)O[C@H]1C[C@@H](OC(=O)Cn2c[nH+]cc2C)C1 ZINC000860790029 595796705 /nfs/dbraw/zinc/79/67/05/595796705.db2.gz OITNWYVOXPNHHI-OKILXGFUSA-N 2 2 332.360 1.014 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000858466273 595803115 /nfs/dbraw/zinc/80/31/15/595803115.db2.gz BTTGIZCGDWNWHP-RQJABVFESA-N 2 2 329.535 1.295 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000858466273 595803117 /nfs/dbraw/zinc/80/31/17/595803117.db2.gz BTTGIZCGDWNWHP-RQJABVFESA-N 2 2 329.535 1.295 20 0 EDADLP CN1c2ccccc2C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1=O ZINC000850352772 595816036 /nfs/dbraw/zinc/81/60/36/595816036.db2.gz HVEVNKLBWNPCCQ-CQSZACIVSA-N 2 2 330.457 1.882 20 0 EDADLP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000858601779 595839527 /nfs/dbraw/zinc/83/95/27/595839527.db2.gz KATHMWZKERPMNX-IRXDYDNUSA-N 2 2 347.459 1.696 20 0 EDADLP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000858601779 595839530 /nfs/dbraw/zinc/83/95/30/595839530.db2.gz KATHMWZKERPMNX-IRXDYDNUSA-N 2 2 347.459 1.696 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](C)CO1 ZINC000853823737 595892535 /nfs/dbraw/zinc/89/25/35/595892535.db2.gz IKCFHPDVNRIINU-ZJIFWQFVSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](C)CO1 ZINC000853823737 595892538 /nfs/dbraw/zinc/89/25/38/595892538.db2.gz IKCFHPDVNRIINU-ZJIFWQFVSA-N 2 2 326.485 1.268 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnn(C)n3)C2)ccn1 ZINC000856550104 596015682 /nfs/dbraw/zinc/01/56/82/596015682.db2.gz WYSLRFHSATYICO-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnn(C)n3)C2)ccn1 ZINC000856550104 596015686 /nfs/dbraw/zinc/01/56/86/596015686.db2.gz WYSLRFHSATYICO-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnn(C)n3)C2)ccn1 ZINC000856550104 596015687 /nfs/dbraw/zinc/01/56/87/596015687.db2.gz WYSLRFHSATYICO-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C2)ccn1 ZINC000856550104 596015691 /nfs/dbraw/zinc/01/56/91/596015691.db2.gz WYSLRFHSATYICO-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859616565 596147529 /nfs/dbraw/zinc/14/75/29/596147529.db2.gz VDBFDHGCLDIPMJ-OAGGEKHMSA-N 2 2 326.481 1.743 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000859616565 596147531 /nfs/dbraw/zinc/14/75/31/596147531.db2.gz VDBFDHGCLDIPMJ-OAGGEKHMSA-N 2 2 326.481 1.743 20 0 EDADLP CN1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)Cc2ccc[nH+]c21 ZINC000868698717 596275760 /nfs/dbraw/zinc/27/57/60/596275760.db2.gz WTHDZWLHASJJCH-OAHLLOKOSA-N 2 2 331.464 1.775 20 0 EDADLP CN1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)Cc2ccc[nH+]c21 ZINC000868698717 596275764 /nfs/dbraw/zinc/27/57/64/596275764.db2.gz WTHDZWLHASJJCH-OAHLLOKOSA-N 2 2 331.464 1.775 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000866700365 596299386 /nfs/dbraw/zinc/29/93/86/596299386.db2.gz VJQJWQVLTFEQLT-UHFFFAOYSA-N 2 2 339.867 1.909 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000866700365 596299389 /nfs/dbraw/zinc/29/93/89/596299389.db2.gz VJQJWQVLTFEQLT-UHFFFAOYSA-N 2 2 339.867 1.909 20 0 EDADLP CC(C)n1ccc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000870666588 596314862 /nfs/dbraw/zinc/31/48/62/596314862.db2.gz BHQWLNFFRPXLTF-UHFFFAOYSA-N 2 2 342.447 1.792 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(F)(F)C3(O)CCC3)c2)CC1 ZINC000870667458 596316132 /nfs/dbraw/zinc/31/61/32/596316132.db2.gz XYKFEHGNTLXLFC-UHFFFAOYSA-N 2 2 340.374 1.322 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]CC[N@@H+]2CC[C@H](O)C2)CCN1C(=O)OC(C)(C)C ZINC000862549910 596343863 /nfs/dbraw/zinc/34/38/63/596343863.db2.gz ARMNJZKIMBBPQR-XHSDSOJGSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]CC[N@H+]2CC[C@H](O)C2)CCN1C(=O)OC(C)(C)C ZINC000862549910 596343864 /nfs/dbraw/zinc/34/38/64/596343864.db2.gz ARMNJZKIMBBPQR-XHSDSOJGSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000864808199 596367816 /nfs/dbraw/zinc/36/78/16/596367816.db2.gz GWJCHFQUCYZRRN-IMXKFXGHSA-N 2 2 343.471 1.438 20 0 EDADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000864808199 596367824 /nfs/dbraw/zinc/36/78/24/596367824.db2.gz GWJCHFQUCYZRRN-IMXKFXGHSA-N 2 2 343.471 1.438 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000870863352 596381087 /nfs/dbraw/zinc/38/10/87/596381087.db2.gz BWXQDSZIBFJMBD-UHFFFAOYSA-N 2 2 330.432 1.067 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[NH2+]CC3CC3)c[nH+]2)C[C@H](C)O1 ZINC000870866061 596382931 /nfs/dbraw/zinc/38/29/31/596382931.db2.gz LIRXDLHAUBKGTA-GASCZTMLSA-N 2 2 346.475 1.701 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000870914876 596401945 /nfs/dbraw/zinc/40/19/45/596401945.db2.gz WOMPKWDVQIPEGK-AWEZNQCLSA-N 2 2 330.407 1.864 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000869108203 596413447 /nfs/dbraw/zinc/41/34/47/596413447.db2.gz MMSKZXBUDFRVHB-PKOBYXMFSA-N 2 2 328.460 1.910 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000869108203 596413449 /nfs/dbraw/zinc/41/34/49/596413449.db2.gz MMSKZXBUDFRVHB-PKOBYXMFSA-N 2 2 328.460 1.910 20 0 EDADLP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@H]3c4ccccc4C[N@H+]3C)C2)C1 ZINC000869108203 596413452 /nfs/dbraw/zinc/41/34/52/596413452.db2.gz MMSKZXBUDFRVHB-PKOBYXMFSA-N 2 2 328.460 1.910 20 0 EDADLP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)C2)C1 ZINC000869108203 596413454 /nfs/dbraw/zinc/41/34/54/596413454.db2.gz MMSKZXBUDFRVHB-PKOBYXMFSA-N 2 2 328.460 1.910 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000870970667 596422273 /nfs/dbraw/zinc/42/22/73/596422273.db2.gz DMLQUKXUUAFZOV-DZKIICNBSA-N 2 2 334.439 1.190 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[C@@H]3CCC[NH2+]3)C2)c1 ZINC000870978648 596425920 /nfs/dbraw/zinc/42/59/20/596425920.db2.gz XZIXGYBRSSPYRE-ROUUACIJSA-N 2 2 331.460 1.454 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C[C@@H]3CCC[NH2+]3)C2)c1 ZINC000870978648 596425921 /nfs/dbraw/zinc/42/59/21/596425921.db2.gz XZIXGYBRSSPYRE-ROUUACIJSA-N 2 2 331.460 1.454 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000864975538 596433028 /nfs/dbraw/zinc/43/30/28/596433028.db2.gz WFUQHZKHNMHCDX-YWEYNIOJSA-N 2 2 349.519 1.989 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000864975538 596433030 /nfs/dbraw/zinc/43/30/30/596433030.db2.gz WFUQHZKHNMHCDX-YWEYNIOJSA-N 2 2 349.519 1.989 20 0 EDADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865019175 596446287 /nfs/dbraw/zinc/44/62/87/596446287.db2.gz NMWVVQBXTBAEOX-QPJJXVBHSA-N 2 2 340.427 1.685 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1 ZINC000867711374 596508704 /nfs/dbraw/zinc/50/87/04/596508704.db2.gz QLKYTEXQXISTKX-HNNXBMFYSA-N 2 2 343.468 1.460 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1 ZINC000867711374 596508706 /nfs/dbraw/zinc/50/87/06/596508706.db2.gz QLKYTEXQXISTKX-HNNXBMFYSA-N 2 2 343.468 1.460 20 0 EDADLP Fc1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cnc1Cl ZINC000865465761 596583195 /nfs/dbraw/zinc/58/31/95/596583195.db2.gz JJEOQZZZUNFOAQ-AWEZNQCLSA-N 2 2 342.846 1.370 20 0 EDADLP COCC[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)NC(=O)OC(C)(C)C ZINC000865532890 596602278 /nfs/dbraw/zinc/60/22/78/596602278.db2.gz RBTYYBMSSUTONY-KBPBESRZSA-N 2 2 338.452 1.717 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865655262 596639463 /nfs/dbraw/zinc/63/94/63/596639463.db2.gz DCMCJHJBZMJPNE-INIZCTEOSA-N 2 2 349.475 1.088 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865655262 596639466 /nfs/dbraw/zinc/63/94/66/596639466.db2.gz DCMCJHJBZMJPNE-INIZCTEOSA-N 2 2 349.475 1.088 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000867976667 596641842 /nfs/dbraw/zinc/64/18/42/596641842.db2.gz PYKTXYVRTBNNST-UONOGXRCSA-N 2 2 335.439 1.173 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867976667 596641843 /nfs/dbraw/zinc/64/18/43/596641843.db2.gz PYKTXYVRTBNNST-UONOGXRCSA-N 2 2 335.439 1.173 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C3(C[NH3+])CCCC3)C2)c1 ZINC000867997263 596647530 /nfs/dbraw/zinc/64/75/30/596647530.db2.gz CMPKTAMCRHNMIK-GOSISDBHSA-N 2 2 345.487 1.831 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C3(C[NH3+])CCCC3)C2)c1 ZINC000867997263 596647535 /nfs/dbraw/zinc/64/75/35/596647535.db2.gz CMPKTAMCRHNMIK-GOSISDBHSA-N 2 2 345.487 1.831 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868055224 596671629 /nfs/dbraw/zinc/67/16/29/596671629.db2.gz CZUZVVBEIIRWHV-HPUBIQBYSA-N 2 2 326.485 1.269 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1Cc2ccccc2O1 ZINC000865799562 596688524 /nfs/dbraw/zinc/68/85/24/596688524.db2.gz PRGMELMZSWABRK-GOSISDBHSA-N 2 2 345.487 1.865 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1Cc2ccccc2O1 ZINC000865799562 596688529 /nfs/dbraw/zinc/68/85/29/596688529.db2.gz PRGMELMZSWABRK-GOSISDBHSA-N 2 2 345.487 1.865 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000868243019 596742196 /nfs/dbraw/zinc/74/21/96/596742196.db2.gz DRZRUNZTSUZIJE-YVMONPNESA-N 2 2 329.444 1.218 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000868243019 596742197 /nfs/dbraw/zinc/74/21/97/596742197.db2.gz DRZRUNZTSUZIJE-YVMONPNESA-N 2 2 329.444 1.218 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000870123877 596760665 /nfs/dbraw/zinc/76/06/65/596760665.db2.gz SCHYPFIOMYSFAK-KRZKXXONSA-N 2 2 343.471 1.780 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)C[NH+]1CCOCC1 ZINC000868369666 596807757 /nfs/dbraw/zinc/80/77/57/596807757.db2.gz WUJQVNSBZWZDKR-CRAIPNDOSA-N 2 2 346.475 1.441 20 0 EDADLP C[C@H](CNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000868369666 596807758 /nfs/dbraw/zinc/80/77/58/596807758.db2.gz WUJQVNSBZWZDKR-CRAIPNDOSA-N 2 2 346.475 1.441 20 0 EDADLP Cn1c2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)ccc2oc1=O ZINC000872148843 596811926 /nfs/dbraw/zinc/81/19/26/596811926.db2.gz IDXVWOYCTVMTHC-WDEREUQCSA-N 2 2 329.322 1.701 20 0 EDADLP Cn1c2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)ccc2oc1=O ZINC000872148843 596811930 /nfs/dbraw/zinc/81/19/30/596811930.db2.gz IDXVWOYCTVMTHC-WDEREUQCSA-N 2 2 329.322 1.701 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000872148731 596812020 /nfs/dbraw/zinc/81/20/20/596812020.db2.gz QMNYJUWGLPJYJM-WCQYABFASA-N 2 2 333.329 1.511 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000872148731 596812022 /nfs/dbraw/zinc/81/20/22/596812022.db2.gz QMNYJUWGLPJYJM-WCQYABFASA-N 2 2 333.329 1.511 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)NCCc1cccc3cccnc31)C2 ZINC000872153985 596815064 /nfs/dbraw/zinc/81/50/64/596815064.db2.gz LBTFFGUWSCSDHH-FXAWDEMLSA-N 2 2 338.455 1.435 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)NCCc1cccc3cccnc31)C2 ZINC000872153985 596815065 /nfs/dbraw/zinc/81/50/65/596815065.db2.gz LBTFFGUWSCSDHH-FXAWDEMLSA-N 2 2 338.455 1.435 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC(F)(F)C(F)(F)F)CC1 ZINC000866354225 596864596 /nfs/dbraw/zinc/86/45/96/596864596.db2.gz ZBXDONFEVYTHGW-UHFFFAOYSA-N 2 2 331.329 1.716 20 0 EDADLP Cc1csc2nc(CC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cn12 ZINC000866352483 596864715 /nfs/dbraw/zinc/86/47/15/596864715.db2.gz JYYOHEDYWCHBNN-UHFFFAOYSA-N 2 2 349.504 1.389 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866353067 596864786 /nfs/dbraw/zinc/86/47/86/596864786.db2.gz NTMNACBOTWPDBW-CQSZACIVSA-N 2 2 346.466 1.106 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866353067 596864788 /nfs/dbraw/zinc/86/47/88/596864788.db2.gz NTMNACBOTWPDBW-CQSZACIVSA-N 2 2 346.466 1.106 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000872283638 596866223 /nfs/dbraw/zinc/86/62/23/596866223.db2.gz LNUZGNRDSKWXMX-JKSUJKDBSA-N 2 2 335.452 1.061 20 0 EDADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866368007 596867731 /nfs/dbraw/zinc/86/77/31/596867731.db2.gz TVXAYEKUGRXMDR-QGZVFWFLSA-N 2 2 328.416 1.566 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)N2CCN(C)c3[nH+]cccc3C2)c1 ZINC000872315347 596878713 /nfs/dbraw/zinc/87/87/13/596878713.db2.gz ZDQYILOUNNAECH-INIZCTEOSA-N 2 2 326.400 1.569 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000864398324 596882624 /nfs/dbraw/zinc/88/26/24/596882624.db2.gz WQPSCHYIUABVOG-DAXSKMNVSA-N 2 2 329.444 1.219 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000864424872 596889012 /nfs/dbraw/zinc/88/90/12/596889012.db2.gz WFKMGYZUPLHLLI-HNNXBMFYSA-N 2 2 335.452 1.025 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000875712063 596956569 /nfs/dbraw/zinc/95/65/69/596956569.db2.gz JKFRBBXKKCVSMO-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000875712063 596956572 /nfs/dbraw/zinc/95/65/72/596956572.db2.gz JKFRBBXKKCVSMO-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000875712063 596956576 /nfs/dbraw/zinc/95/65/76/596956576.db2.gz JKFRBBXKKCVSMO-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000875712063 596956580 /nfs/dbraw/zinc/95/65/80/596956580.db2.gz JKFRBBXKKCVSMO-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)C(C)(C)C[NH+]2CCOCC2)c1C ZINC000874257397 596989012 /nfs/dbraw/zinc/98/90/12/596989012.db2.gz XZBLGOBNCWEGHN-UHFFFAOYSA-N 2 2 335.448 1.682 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cn2cc[nH+]c12 ZINC000874370534 597044636 /nfs/dbraw/zinc/04/46/36/597044636.db2.gz ZOCAKMFCWBFTGT-HUUCEWRRSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cn2cc[nH+]c12 ZINC000874370534 597044640 /nfs/dbraw/zinc/04/46/40/597044640.db2.gz ZOCAKMFCWBFTGT-HUUCEWRRSA-N 2 2 341.415 1.276 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](CN3C(=O)[C@H]4CCCCC[C@H]43)CC2)CC1 ZINC000872731393 597050006 /nfs/dbraw/zinc/05/00/06/597050006.db2.gz DDJHPWDZKFIZCJ-ZWKOTPCHSA-N 2 2 334.508 1.447 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cn3cnc(-c4ccccn4)n3)CC2)CC1 ZINC000872732130 597050039 /nfs/dbraw/zinc/05/00/39/597050039.db2.gz QGQWNPAPBWYZDK-UHFFFAOYSA-N 2 2 341.463 1.009 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)[NH+]1CCOCC1 ZINC000874430750 597075174 /nfs/dbraw/zinc/07/51/74/597075174.db2.gz HMGOOYJRMHRBGE-CQSZACIVSA-N 2 2 326.485 1.175 20 0 EDADLP COC(C)(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876078971 597082181 /nfs/dbraw/zinc/08/21/81/597082181.db2.gz AXHUFFJKHLBGIQ-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP COC(C)(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876078971 597082182 /nfs/dbraw/zinc/08/21/82/597082182.db2.gz AXHUFFJKHLBGIQ-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+]CCCn3cc[nH+]c3)nn2)cc1 ZINC000873006540 597158238 /nfs/dbraw/zinc/15/82/38/597158238.db2.gz KRFOURRMFBVUTO-UHFFFAOYSA-N 2 2 326.404 1.711 20 0 EDADLP COCC(C)(C)CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000876325949 597169564 /nfs/dbraw/zinc/16/95/64/597169564.db2.gz ZTZOWYUKZPJBTC-UHFFFAOYSA-N 2 2 342.528 1.717 20 0 EDADLP COCC(C)(C)CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000876325949 597169565 /nfs/dbraw/zinc/16/95/65/597169565.db2.gz ZTZOWYUKZPJBTC-UHFFFAOYSA-N 2 2 342.528 1.717 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)[nH+]1 ZINC000873105934 597196883 /nfs/dbraw/zinc/19/68/83/597196883.db2.gz CNOGGETZIARYBM-QWRGUYRKSA-N 2 2 344.337 1.233 20 0 EDADLP COc1cc2c(cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)OCO2 ZINC000873228130 597234361 /nfs/dbraw/zinc/23/43/61/597234361.db2.gz PUKDJTBWULBTKG-GHMZBOCLSA-N 2 2 332.322 1.993 20 0 EDADLP COc1cc2c(cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)OCO2 ZINC000873228130 597234363 /nfs/dbraw/zinc/23/43/63/597234363.db2.gz PUKDJTBWULBTKG-GHMZBOCLSA-N 2 2 332.322 1.993 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c(N(C)C)[nH+]1 ZINC000873312842 597253563 /nfs/dbraw/zinc/25/35/63/597253563.db2.gz GXMFTZIJCKMJHA-CQSZACIVSA-N 2 2 347.463 1.736 20 0 EDADLP COC[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CCCC[NH2+]1 ZINC000876721092 597305052 /nfs/dbraw/zinc/30/50/52/597305052.db2.gz QZEAWOOJDCQWJD-QGZVFWFLSA-N 2 2 329.404 1.673 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000876724243 597306274 /nfs/dbraw/zinc/30/62/74/597306274.db2.gz QVICKRSRTZRNSR-SJORKVTESA-N 2 2 344.459 1.993 20 0 EDADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCCCn1cc[nH+]c1 ZINC000876732495 597311612 /nfs/dbraw/zinc/31/16/12/597311612.db2.gz XOHRWMLNJYMIKP-OAHLLOKOSA-N 2 2 330.436 1.523 20 0 EDADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000876747235 597319506 /nfs/dbraw/zinc/31/95/06/597319506.db2.gz YRDMBZVESYNRPE-OAHLLOKOSA-N 2 2 342.447 1.859 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCOC[C@H]2CC)CC1 ZINC000875189277 597320791 /nfs/dbraw/zinc/32/07/91/597320791.db2.gz IGLVSSMOHKTNPL-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2CCOC[C@H]2CC)CC1 ZINC000875189277 597320793 /nfs/dbraw/zinc/32/07/93/597320793.db2.gz IGLVSSMOHKTNPL-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876784834 597339548 /nfs/dbraw/zinc/33/95/48/597339548.db2.gz LHOIUNVQZCGXHI-TZNMXKOXSA-N 2 2 328.460 1.843 20 0 EDADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000876894285 597373672 /nfs/dbraw/zinc/37/36/72/597373672.db2.gz NSTIPGHTIVFJPY-OAHLLOKOSA-N 2 2 330.436 1.475 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)[nH+]c12 ZINC000877359581 597501050 /nfs/dbraw/zinc/50/10/50/597501050.db2.gz IVAVOFBZRGAEEZ-WCQYABFASA-N 2 2 340.349 1.781 20 0 EDADLP O=CN1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000877642348 597543694 /nfs/dbraw/zinc/54/36/94/597543694.db2.gz VILLAMDCSADKMH-UHFFFAOYSA-N 2 2 347.459 1.062 20 0 EDADLP O=CN1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000877642348 597543695 /nfs/dbraw/zinc/54/36/95/597543695.db2.gz VILLAMDCSADKMH-UHFFFAOYSA-N 2 2 347.459 1.062 20 0 EDADLP C([C@H]1CC2(CO1)CCOCC2)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552158 597632803 /nfs/dbraw/zinc/63/28/03/597632803.db2.gz MKOVQEHYRANAIY-QZTJIDSGSA-N 2 2 338.492 1.759 20 0 EDADLP C([C@H]1CC2(CO1)CCOCC2)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552158 597632804 /nfs/dbraw/zinc/63/28/04/597632804.db2.gz MKOVQEHYRANAIY-QZTJIDSGSA-N 2 2 338.492 1.759 20 0 EDADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)ccc2[nH+]1 ZINC000878565653 597636408 /nfs/dbraw/zinc/63/64/08/597636408.db2.gz NMHUHKVZIQRLJT-AWEZNQCLSA-N 2 2 331.420 1.609 20 0 EDADLP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)ccc2[nH+]1 ZINC000878565653 597636412 /nfs/dbraw/zinc/63/64/12/597636412.db2.gz NMHUHKVZIQRLJT-AWEZNQCLSA-N 2 2 331.420 1.609 20 0 EDADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCOc4ccccc43)CC[C@@H]21 ZINC000879581130 597642036 /nfs/dbraw/zinc/64/20/36/597642036.db2.gz WUQVKWOTCHRPQS-CVEARBPZSA-N 2 2 329.444 1.828 20 0 EDADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCOc4ccccc43)CC[C@@H]21 ZINC000879581130 597642038 /nfs/dbraw/zinc/64/20/38/597642038.db2.gz WUQVKWOTCHRPQS-CVEARBPZSA-N 2 2 329.444 1.828 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CCOc4ccccc43)CC[C@@H]21 ZINC000879581130 597642042 /nfs/dbraw/zinc/64/20/42/597642042.db2.gz WUQVKWOTCHRPQS-CVEARBPZSA-N 2 2 329.444 1.828 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCOc4ccccc43)CC[C@@H]21 ZINC000879581130 597642045 /nfs/dbraw/zinc/64/20/45/597642045.db2.gz WUQVKWOTCHRPQS-CVEARBPZSA-N 2 2 329.444 1.828 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879595830 597650763 /nfs/dbraw/zinc/65/07/63/597650763.db2.gz GDKJJJIJBVYYAO-UHFFFAOYSA-N 2 2 332.492 1.919 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973538 597792188 /nfs/dbraw/zinc/79/21/88/597792188.db2.gz ZEWDAEFVNHPPIF-HLLBOEOZSA-N 2 2 334.464 1.094 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973538 597792190 /nfs/dbraw/zinc/79/21/90/597792190.db2.gz ZEWDAEFVNHPPIF-HLLBOEOZSA-N 2 2 334.464 1.094 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H](CF)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000880232322 597878479 /nfs/dbraw/zinc/87/84/79/597878479.db2.gz LAQJYJWLEAFTKF-MRXNPFEDSA-N 2 2 334.439 1.802 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H](CF)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000880232322 597878482 /nfs/dbraw/zinc/87/84/82/597878482.db2.gz LAQJYJWLEAFTKF-MRXNPFEDSA-N 2 2 334.439 1.802 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261062 597886238 /nfs/dbraw/zinc/88/62/38/597886238.db2.gz HJCXDBOPGYGDDU-HUUCEWRRSA-N 2 2 347.463 1.462 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261062 597886240 /nfs/dbraw/zinc/88/62/40/597886240.db2.gz HJCXDBOPGYGDDU-HUUCEWRRSA-N 2 2 347.463 1.462 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880486402 597943221 /nfs/dbraw/zinc/94/32/21/597943221.db2.gz RLORWWCTFJMDMU-IBGZPJMESA-N 2 2 343.471 1.262 20 0 EDADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880486402 597943223 /nfs/dbraw/zinc/94/32/23/597943223.db2.gz RLORWWCTFJMDMU-IBGZPJMESA-N 2 2 343.471 1.262 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880486402 597943226 /nfs/dbraw/zinc/94/32/26/597943226.db2.gz RLORWWCTFJMDMU-IBGZPJMESA-N 2 2 343.471 1.262 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880486402 597943229 /nfs/dbraw/zinc/94/32/29/597943229.db2.gz RLORWWCTFJMDMU-IBGZPJMESA-N 2 2 343.471 1.262 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000914081232 695078735 /nfs/dbraw/zinc/07/87/35/695078735.db2.gz SBZZQJZWVMFREF-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C)oc1C ZINC000948057699 695116665 /nfs/dbraw/zinc/11/66/65/695116665.db2.gz XXNIXFFUXDTVJX-XJKSGUPXSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C)oc1C ZINC000948057699 695116668 /nfs/dbraw/zinc/11/66/68/695116668.db2.gz XXNIXFFUXDTVJX-XJKSGUPXSA-N 2 2 334.464 1.856 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnns3)[C@H]2C1 ZINC000992826073 695386448 /nfs/dbraw/zinc/38/64/48/695386448.db2.gz AALHOOUTBQPKPY-CQDKDKBSSA-N 2 2 346.460 1.221 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC001060476325 695405829 /nfs/dbraw/zinc/40/58/29/695405829.db2.gz ASSMATUUMZHQCU-PHXCXEIZSA-N 2 2 343.475 1.150 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC001060476325 695405832 /nfs/dbraw/zinc/40/58/32/695405832.db2.gz ASSMATUUMZHQCU-PHXCXEIZSA-N 2 2 343.475 1.150 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC000992857679 695417602 /nfs/dbraw/zinc/41/76/02/695417602.db2.gz KDZHLXWMUVZHHX-BBWFWOEESA-N 2 2 339.443 1.764 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCOCC3)[C@@H]2C1 ZINC000992882395 695428727 /nfs/dbraw/zinc/42/87/27/695428727.db2.gz ZQNKOHUJMIWDDV-BBWFWOEESA-N 2 2 346.475 1.596 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCOCC3)[C@H]2C1 ZINC000992882401 695428854 /nfs/dbraw/zinc/42/88/54/695428854.db2.gz ZQNKOHUJMIWDDV-ULQDDVLXSA-N 2 2 346.475 1.596 20 0 EDADLP C/C(=C/C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000915263048 695775675 /nfs/dbraw/zinc/77/56/75/695775675.db2.gz ZVKWULMPJHAXIQ-VZVUQDNOSA-N 2 2 344.459 1.397 20 0 EDADLP Cc1cccc(OCC[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031259559 696071227 /nfs/dbraw/zinc/07/12/27/696071227.db2.gz DPOHRRGTIWSEIZ-INIZCTEOSA-N 2 2 331.460 1.516 20 0 EDADLP Cc1cccc(OCC[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001031259559 696071231 /nfs/dbraw/zinc/07/12/31/696071231.db2.gz DPOHRRGTIWSEIZ-INIZCTEOSA-N 2 2 331.460 1.516 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2nccnc2C)[C@H]1C ZINC000993611524 696257984 /nfs/dbraw/zinc/25/79/84/696257984.db2.gz GWTIIBCAKYKCPW-JKSUJKDBSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2nccnc2C)[C@H]1C ZINC000993611524 696257986 /nfs/dbraw/zinc/25/79/86/696257986.db2.gz GWTIIBCAKYKCPW-JKSUJKDBSA-N 2 2 342.447 1.459 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1Cc1ccnn1C ZINC000993808856 696383868 /nfs/dbraw/zinc/38/38/68/696383868.db2.gz VFMJHSGYVKPESS-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1Cc1ccnn1C ZINC000993808856 696383869 /nfs/dbraw/zinc/38/38/69/696383869.db2.gz VFMJHSGYVKPESS-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1ccnn1C ZINC000993808856 696383870 /nfs/dbraw/zinc/38/38/70/696383870.db2.gz VFMJHSGYVKPESS-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1ccnn1C ZINC000993808856 696383871 /nfs/dbraw/zinc/38/38/71/696383871.db2.gz VFMJHSGYVKPESS-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP Cc1nc(NC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc[nH+]1 ZINC001060629788 696479438 /nfs/dbraw/zinc/47/94/38/696479438.db2.gz HLDVFGLECAAMLN-TWRYWWQQSA-N 2 2 331.464 1.965 20 0 EDADLP Cc1nc(NC2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc[nH+]1 ZINC001060629788 696479439 /nfs/dbraw/zinc/47/94/39/696479439.db2.gz HLDVFGLECAAMLN-TWRYWWQQSA-N 2 2 331.464 1.965 20 0 EDADLP CCc1nocc1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994406815 696830438 /nfs/dbraw/zinc/83/04/38/696830438.db2.gz KVRYWBOFNNWSEN-PBHICJAKSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1nocc1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994406815 696830440 /nfs/dbraw/zinc/83/04/40/696830440.db2.gz KVRYWBOFNNWSEN-PBHICJAKSA-N 2 2 334.464 1.802 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C)[C@H]1C ZINC000994420838 696842399 /nfs/dbraw/zinc/84/23/99/696842399.db2.gz LERWGTQHJIYTBI-BBRMVZONSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2C)[C@H]1C ZINC000994420838 696842403 /nfs/dbraw/zinc/84/24/03/696842403.db2.gz LERWGTQHJIYTBI-BBRMVZONSA-N 2 2 330.436 1.094 20 0 EDADLP CCc1ccc([C@H](O)C[NH+]2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031385984 697001907 /nfs/dbraw/zinc/00/19/07/697001907.db2.gz SSXBIBMSKFCFOW-SJLPKXTDSA-N 2 2 331.460 1.035 20 0 EDADLP CCc1ccc([C@H](O)C[NH+]2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031385984 697001910 /nfs/dbraw/zinc/00/19/10/697001910.db2.gz SSXBIBMSKFCFOW-SJLPKXTDSA-N 2 2 331.460 1.035 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)[NH+]1CCCCC1 ZINC000918118918 697133380 /nfs/dbraw/zinc/13/33/80/697133380.db2.gz FFLVUFUBNCBQFS-OAHLLOKOSA-N 2 2 333.480 1.936 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000918893386 697221163 /nfs/dbraw/zinc/22/11/63/697221163.db2.gz QTZFVDBPTQFJIY-OAHLLOKOSA-N 2 2 329.448 1.904 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000918893386 697221165 /nfs/dbraw/zinc/22/11/65/697221165.db2.gz QTZFVDBPTQFJIY-OAHLLOKOSA-N 2 2 329.448 1.904 20 0 EDADLP C[C@@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031594173 697292129 /nfs/dbraw/zinc/29/21/29/697292129.db2.gz VQKVTCLIBGKIMI-SUMWQHHRSA-N 2 2 335.423 1.265 20 0 EDADLP C[C@@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031594173 697292131 /nfs/dbraw/zinc/29/21/31/697292131.db2.gz VQKVTCLIBGKIMI-SUMWQHHRSA-N 2 2 335.423 1.265 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3cccc(Cl)c3)C2)C1 ZINC001031594504 697294317 /nfs/dbraw/zinc/29/43/17/697294317.db2.gz DOEBWYOPAHQCSC-INIZCTEOSA-N 2 2 337.851 1.219 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3cccc(Cl)c3)C2)C1 ZINC001031594504 697294319 /nfs/dbraw/zinc/29/43/19/697294319.db2.gz DOEBWYOPAHQCSC-INIZCTEOSA-N 2 2 337.851 1.219 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000920198721 697408996 /nfs/dbraw/zinc/40/89/96/697408996.db2.gz HRVGOPDJWNJAIH-SJLPKXTDSA-N 2 2 345.491 1.200 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000920198721 697408997 /nfs/dbraw/zinc/40/89/97/697408997.db2.gz HRVGOPDJWNJAIH-SJLPKXTDSA-N 2 2 345.491 1.200 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665953 697447078 /nfs/dbraw/zinc/44/70/78/697447078.db2.gz JPSQSCFCHIKZBB-MRXNPFEDSA-N 2 2 348.495 1.027 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665953 697447080 /nfs/dbraw/zinc/44/70/80/697447080.db2.gz JPSQSCFCHIKZBB-MRXNPFEDSA-N 2 2 348.495 1.027 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668271 697459651 /nfs/dbraw/zinc/45/96/51/697459651.db2.gz BZTFLFRLZRQWKB-QAPCUYQASA-N 2 2 346.450 1.643 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668271 697459654 /nfs/dbraw/zinc/45/96/54/697459654.db2.gz BZTFLFRLZRQWKB-QAPCUYQASA-N 2 2 346.450 1.643 20 0 EDADLP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083201 700177661 /nfs/dbraw/zinc/17/76/61/700177661.db2.gz JFEOXGHXDUHNDL-UHFFFAOYSA-N 2 2 348.476 1.673 20 0 EDADLP C[C@@H]1C[N@H+](CCCC2CCOCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174071 697865922 /nfs/dbraw/zinc/86/59/22/697865922.db2.gz AVUUTPSGLOSYQB-QAPCUYQASA-N 2 2 348.491 1.986 20 0 EDADLP C[C@@H]1C[N@@H+](CCCC2CCOCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174071 697865927 /nfs/dbraw/zinc/86/59/27/697865927.db2.gz AVUUTPSGLOSYQB-QAPCUYQASA-N 2 2 348.491 1.986 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3cnccn3)C2)C1 ZINC001031729383 698052127 /nfs/dbraw/zinc/05/21/27/698052127.db2.gz MBMNWFDYJNVNRU-NVXWUHKLSA-N 2 2 345.491 1.564 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3cnccn3)C2)C1 ZINC001031729383 698052135 /nfs/dbraw/zinc/05/21/35/698052135.db2.gz MBMNWFDYJNVNRU-NVXWUHKLSA-N 2 2 345.491 1.564 20 0 EDADLP O=C(NCC1C[NH+](CCC(F)(F)F)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001031732192 698124911 /nfs/dbraw/zinc/12/49/11/698124911.db2.gz XKFZXSGUZVNNGB-GFCCVEGCSA-N 2 2 330.354 1.761 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943337911 698156000 /nfs/dbraw/zinc/15/60/00/698156000.db2.gz ZVJMWXVMNGMMDY-XJKSGUPXSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943337911 698156001 /nfs/dbraw/zinc/15/60/01/698156001.db2.gz ZVJMWXVMNGMMDY-XJKSGUPXSA-N 2 2 349.479 1.437 20 0 EDADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756376 698454824 /nfs/dbraw/zinc/45/48/24/698454824.db2.gz NBSUBYIUHUMRNE-WKILWMFISA-N 2 2 349.479 1.016 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)C1 ZINC000995038579 700227092 /nfs/dbraw/zinc/22/70/92/700227092.db2.gz QSIVEEVACBJACD-STQMWFEESA-N 2 2 334.449 1.118 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943756139 698830610 /nfs/dbraw/zinc/83/06/10/698830610.db2.gz LQHUBNOVEPCIBU-NHYWBVRUSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943756139 698830615 /nfs/dbraw/zinc/83/06/15/698830615.db2.gz LQHUBNOVEPCIBU-NHYWBVRUSA-N 2 2 331.420 1.584 20 0 EDADLP CCn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)cn1 ZINC000943767192 698837331 /nfs/dbraw/zinc/83/73/31/698837331.db2.gz RWSDOGWLWPYZKR-GOEBONIOSA-N 2 2 344.463 1.238 20 0 EDADLP CCn1cc(CC[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)cn1 ZINC000943767192 698837337 /nfs/dbraw/zinc/83/73/37/698837337.db2.gz RWSDOGWLWPYZKR-GOEBONIOSA-N 2 2 344.463 1.238 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)ncn1 ZINC001031766188 699055381 /nfs/dbraw/zinc/05/53/81/699055381.db2.gz BXZQLVKNDRKWFJ-QZTJIDSGSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)ncn1 ZINC001031766188 699055383 /nfs/dbraw/zinc/05/53/83/699055383.db2.gz BXZQLVKNDRKWFJ-QZTJIDSGSA-N 2 2 343.475 1.350 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766363 699060919 /nfs/dbraw/zinc/06/09/19/699060919.db2.gz HEILHVIGPKJLHA-GDBMZVCRSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766363 699060922 /nfs/dbraw/zinc/06/09/22/699060922.db2.gz HEILHVIGPKJLHA-GDBMZVCRSA-N 2 2 334.489 1.708 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)on1 ZINC001031766967 699068056 /nfs/dbraw/zinc/06/80/56/699068056.db2.gz OTQNQJBWMZZJNH-WBVHZDCISA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)on1 ZINC001031766967 699068059 /nfs/dbraw/zinc/06/80/59/699068059.db2.gz OTQNQJBWMZZJNH-WBVHZDCISA-N 2 2 332.448 1.548 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)o1 ZINC001031767594 699076383 /nfs/dbraw/zinc/07/63/83/699076383.db2.gz XLFXVEHIIOUHIN-NVXWUHKLSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)o1 ZINC001031767594 699076386 /nfs/dbraw/zinc/07/63/86/699076386.db2.gz XLFXVEHIIOUHIN-NVXWUHKLSA-N 2 2 332.448 1.548 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939054163 699114464 /nfs/dbraw/zinc/11/44/64/699114464.db2.gz FLBKGIBDDCZIOI-HIFRSBDPSA-N 2 2 349.479 1.471 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784200 699214673 /nfs/dbraw/zinc/21/46/73/699214673.db2.gz NLOBBDJGKCPKEO-RDJZCZTQSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1C[NH+](CCOC3CCC3)C1)C2 ZINC001031788977 699240803 /nfs/dbraw/zinc/24/08/03/699240803.db2.gz LKHHWPOCFKWZJR-HNNXBMFYSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1C[NH+](CCOC3CCC3)C1)CC2 ZINC001031788977 699240806 /nfs/dbraw/zinc/24/08/06/699240806.db2.gz LKHHWPOCFKWZJR-HNNXBMFYSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1ccc(C[NH+]2CC(CNC(=O)c3cc(C[NH+](C)C)on3)C2)cc1 ZINC001031799989 699330760 /nfs/dbraw/zinc/33/07/60/699330760.db2.gz OLIRPMGEYXDCEN-UHFFFAOYSA-N 2 2 342.443 1.906 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(O)ccc1Cl ZINC000939211156 699358975 /nfs/dbraw/zinc/35/89/75/699358975.db2.gz QQUACIBXEOZCHC-BDJLRTHQSA-N 2 2 348.834 1.948 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939408439 699563117 /nfs/dbraw/zinc/56/31/17/699563117.db2.gz OAZCTZVAWBDDMY-WCQYABFASA-N 2 2 333.823 1.637 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)c(C)n1 ZINC000939534408 699675138 /nfs/dbraw/zinc/67/51/38/699675138.db2.gz JXYNKDZCSODJOV-UGSOOPFHSA-N 2 2 341.459 1.611 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939536196 699677188 /nfs/dbraw/zinc/67/71/88/699677188.db2.gz TYCYKZDAKOKHAX-WFASDCNBSA-N 2 2 347.850 1.648 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CCc1cccs1 ZINC000939536290 699677381 /nfs/dbraw/zinc/67/73/81/699677381.db2.gz VKDFOQKADAFXAZ-CJNGLKHVSA-N 2 2 332.473 1.703 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939551216 699700485 /nfs/dbraw/zinc/70/04/85/699700485.db2.gz RGBIUWUPLRBZKF-HIFRSBDPSA-N 2 2 342.447 1.131 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939551926 699701438 /nfs/dbraw/zinc/70/14/38/699701438.db2.gz USYLREQMNNMCKP-OCCSQVGLSA-N 2 2 345.472 1.854 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939642356 699771919 /nfs/dbraw/zinc/77/19/19/699771919.db2.gz JLZNCOBVRYGDDN-DYVFJYSZSA-N 2 2 344.463 1.031 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939643830 699784168 /nfs/dbraw/zinc/78/41/68/699784168.db2.gz XCDQMZOXLAIGRR-DYVFJYSZSA-N 2 2 345.422 1.524 20 0 EDADLP CCOC1CC(C[NH+]2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)C1 ZINC001031843653 699868462 /nfs/dbraw/zinc/86/84/62/699868462.db2.gz KOBQUKBMTSFHGS-UHFFFAOYSA-N 2 2 342.443 1.811 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)o1 ZINC000939809835 699958196 /nfs/dbraw/zinc/95/81/96/699958196.db2.gz KBULQRLGWLRHJS-UKRRQHHQSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)n1 ZINC000939812965 699960422 /nfs/dbraw/zinc/96/04/22/699960422.db2.gz WYOZLGGRVRLTKX-UKRRQHHQSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940145168 700275332 /nfs/dbraw/zinc/27/53/32/700275332.db2.gz WHRPHCYGKQXEKI-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940145168 700275334 /nfs/dbraw/zinc/27/53/34/700275334.db2.gz WHRPHCYGKQXEKI-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000940426706 700620462 /nfs/dbraw/zinc/62/04/62/700620462.db2.gz YOAGRMVMXPBDJM-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)ncn1 ZINC000940426549 700620486 /nfs/dbraw/zinc/62/04/86/700620486.db2.gz WJCSGKUTUPGHJM-UHFFFAOYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)nn1C ZINC000940441366 700642521 /nfs/dbraw/zinc/64/25/21/700642521.db2.gz FQHDXUBMOGFPLP-UHFFFAOYSA-N 2 2 344.463 1.473 20 0 EDADLP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000940441276 700642673 /nfs/dbraw/zinc/64/26/73/700642673.db2.gz BBWFQRNBTHRHDY-UHFFFAOYSA-N 2 2 345.451 1.043 20 0 EDADLP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]cn3C)CC2)o1 ZINC000940445362 700647495 /nfs/dbraw/zinc/64/74/95/700647495.db2.gz PKHQRCIMOOMBOB-UHFFFAOYSA-N 2 2 346.435 1.215 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000940445915 700647987 /nfs/dbraw/zinc/64/79/87/700647987.db2.gz XMOYHLYKHWGSOH-KRWDZBQOSA-N 2 2 348.491 1.893 20 0 EDADLP CC1([NH2+]CC2CC2)CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000940466982 700653019 /nfs/dbraw/zinc/65/30/19/700653019.db2.gz KEZRBJBILUDLKG-QGZVFWFLSA-N 2 2 335.492 1.478 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000940847207 700942364 /nfs/dbraw/zinc/94/23/64/700942364.db2.gz RJIDOUQTFGHHFE-WMLDXEAASA-N 2 2 348.491 1.686 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C(C)(C)C1 ZINC000940847207 700942365 /nfs/dbraw/zinc/94/23/65/700942365.db2.gz RJIDOUQTFGHHFE-WMLDXEAASA-N 2 2 348.491 1.686 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000940847207 700942367 /nfs/dbraw/zinc/94/23/67/700942367.db2.gz RJIDOUQTFGHHFE-WMLDXEAASA-N 2 2 348.491 1.686 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C(C)(C)C1 ZINC000940847207 700942368 /nfs/dbraw/zinc/94/23/68/700942368.db2.gz RJIDOUQTFGHHFE-WMLDXEAASA-N 2 2 348.491 1.686 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000995107079 700959486 /nfs/dbraw/zinc/95/94/86/700959486.db2.gz OQOUOGYZAGQKNG-JSGCOSHPSA-N 2 2 343.431 1.892 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995108459 700965285 /nfs/dbraw/zinc/96/52/85/700965285.db2.gz UPMDJILLJYCHAB-KBPBESRZSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC000940892702 700967812 /nfs/dbraw/zinc/96/78/12/700967812.db2.gz IEEOOQIPRSAHSE-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC000940892702 700967813 /nfs/dbraw/zinc/96/78/13/700967813.db2.gz IEEOOQIPRSAHSE-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccn(C)n3)CC2(C)C)C1 ZINC000941025972 701065340 /nfs/dbraw/zinc/06/53/40/701065340.db2.gz HJOQQDAJJINQAH-DOTOQJQBSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccn(C)n3)CC2(C)C)C1 ZINC000941025972 701065343 /nfs/dbraw/zinc/06/53/43/701065343.db2.gz HJOQQDAJJINQAH-DOTOQJQBSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)n3)CC2(C)C)C1 ZINC000941025972 701065346 /nfs/dbraw/zinc/06/53/46/701065346.db2.gz HJOQQDAJJINQAH-DOTOQJQBSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccn(C)n3)CC2(C)C)C1 ZINC000941025972 701065351 /nfs/dbraw/zinc/06/53/51/701065351.db2.gz HJOQQDAJJINQAH-DOTOQJQBSA-N 2 2 347.507 1.479 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995117219 701073262 /nfs/dbraw/zinc/07/32/62/701073262.db2.gz OVNVHLYCKMVOLJ-ZIAGYGMSSA-N 2 2 330.436 1.243 20 0 EDADLP CCc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000995171222 701693613 /nfs/dbraw/zinc/69/36/13/701693613.db2.gz VSDSVVAZAWCVDI-ZIAGYGMSSA-N 2 2 345.447 1.588 20 0 EDADLP C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215654 701401798 /nfs/dbraw/zinc/40/17/98/701401798.db2.gz ZLGVKKHVIQFZGR-HZPDHXFCSA-N 2 2 345.491 1.850 20 0 EDADLP C[C@H](c1ncccn1)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215654 701401800 /nfs/dbraw/zinc/40/18/00/701401800.db2.gz ZLGVKKHVIQFZGR-HZPDHXFCSA-N 2 2 345.491 1.850 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941220311 701410640 /nfs/dbraw/zinc/41/06/40/701410640.db2.gz BRPLQTQAGNWCOZ-CQSZACIVSA-N 2 2 349.479 1.445 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941220311 701410641 /nfs/dbraw/zinc/41/06/41/701410641.db2.gz BRPLQTQAGNWCOZ-CQSZACIVSA-N 2 2 349.479 1.445 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1 ZINC001032651535 706603222 /nfs/dbraw/zinc/60/32/22/706603222.db2.gz BRASNMSUOSBLDE-IRXDYDNUSA-N 2 2 332.448 1.444 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1 ZINC001032651535 706603224 /nfs/dbraw/zinc/60/32/24/706603224.db2.gz BRASNMSUOSBLDE-IRXDYDNUSA-N 2 2 332.448 1.444 20 0 EDADLP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001032652119 706607218 /nfs/dbraw/zinc/60/72/18/706607218.db2.gz KVSLEYWSMTWKDM-YESZJQIVSA-N 2 2 332.448 1.443 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCN(C3C[NH+](CC(C)C)C3)CC2)c[nH+]1 ZINC000941455603 701548633 /nfs/dbraw/zinc/54/86/33/701548633.db2.gz WOFYIOSSIAFUGO-UHFFFAOYSA-N 2 2 347.507 1.411 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)cn1 ZINC000995726842 701761982 /nfs/dbraw/zinc/76/19/82/701761982.db2.gz AXFGPTQSMYLKOJ-CQSZACIVSA-N 2 2 330.436 1.103 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000995733018 701821386 /nfs/dbraw/zinc/82/13/86/701821386.db2.gz IJHPGPCGABHBGG-HNNXBMFYSA-N 2 2 327.432 1.764 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995180258 701946551 /nfs/dbraw/zinc/94/65/51/701946551.db2.gz DRNHRLCHQLQVHU-ZBFHGGJFSA-N 2 2 344.463 1.377 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000995745201 701959923 /nfs/dbraw/zinc/95/99/23/701959923.db2.gz IXURPWHLFUNJAK-OAHLLOKOSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1C ZINC000944443037 702026312 /nfs/dbraw/zinc/02/63/12/702026312.db2.gz FMCBAZWUDOIDKR-IUODEOHRSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1C ZINC000944443037 702026319 /nfs/dbraw/zinc/02/63/19/702026319.db2.gz FMCBAZWUDOIDKR-IUODEOHRSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2C)C[C@@H]1C ZINC000944445268 702032598 /nfs/dbraw/zinc/03/25/98/702032598.db2.gz ONOYPALQPCMYSG-GUYCJALGSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2C)C[C@@H]1C ZINC000944445268 702032602 /nfs/dbraw/zinc/03/26/02/702032602.db2.gz ONOYPALQPCMYSG-GUYCJALGSA-N 2 2 341.459 1.991 20 0 EDADLP O=C(NCC1C[NH+](C/C=C/Cl)C1)c1cc(C[NH+]2CCCC2)on1 ZINC001031979432 702071844 /nfs/dbraw/zinc/07/18/44/702071844.db2.gz WCZYXGAAIFHHEY-ONEGZZNKSA-N 2 2 338.839 1.685 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000995986562 702348931 /nfs/dbraw/zinc/34/89/31/702348931.db2.gz YVYDWSAQKFUCHS-ZIAGYGMSSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000995986562 702348939 /nfs/dbraw/zinc/34/89/39/702348939.db2.gz YVYDWSAQKFUCHS-ZIAGYGMSSA-N 2 2 337.493 1.349 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996087509 702496476 /nfs/dbraw/zinc/49/64/76/702496476.db2.gz VRWNNJHKDGZCTM-CQSZACIVSA-N 2 2 347.488 1.836 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC000996096201 702511077 /nfs/dbraw/zinc/51/10/77/702511077.db2.gz DDZKLYJNYMPNCN-GJZGRUSLSA-N 2 2 329.460 1.283 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC000996096201 702511083 /nfs/dbraw/zinc/51/10/83/702511083.db2.gz DDZKLYJNYMPNCN-GJZGRUSLSA-N 2 2 329.460 1.283 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942173163 702683767 /nfs/dbraw/zinc/68/37/67/702683767.db2.gz OJRXIGAOCQGDMK-ZBFHGGJFSA-N 2 2 347.463 1.272 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000942173163 702683770 /nfs/dbraw/zinc/68/37/70/702683770.db2.gz OJRXIGAOCQGDMK-ZBFHGGJFSA-N 2 2 347.463 1.272 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cc1 ZINC000996356855 702734398 /nfs/dbraw/zinc/73/43/98/702734398.db2.gz UANFSUVBWQUNJL-QGZVFWFLSA-N 2 2 342.443 1.988 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)n1 ZINC000942256074 702747495 /nfs/dbraw/zinc/74/74/95/702747495.db2.gz COTZXOGESYRWFF-HIFRSBDPSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)n1 ZINC000942256074 702747496 /nfs/dbraw/zinc/74/74/96/702747496.db2.gz COTZXOGESYRWFF-HIFRSBDPSA-N 2 2 347.463 1.333 20 0 EDADLP CC(C)c1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)no1 ZINC000995218620 702754759 /nfs/dbraw/zinc/75/47/59/702754759.db2.gz YGLLOWWYIMYBBP-GJZGRUSLSA-N 2 2 349.479 1.663 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996457693 702802255 /nfs/dbraw/zinc/80/22/55/702802255.db2.gz QGSDATZDXBIBSU-CQSZACIVSA-N 2 2 331.420 1.584 20 0 EDADLP CCc1onc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995232249 702847969 /nfs/dbraw/zinc/84/79/69/702847969.db2.gz CUXXSRZXMULBSM-HUUCEWRRSA-N 2 2 345.447 1.817 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1 ZINC000996565032 702886307 /nfs/dbraw/zinc/88/63/07/702886307.db2.gz WHJSUTYQYWRWBP-ZBFHGGJFSA-N 2 2 334.464 1.514 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996608091 702911526 /nfs/dbraw/zinc/91/15/26/702911526.db2.gz FYDBKWZWDZLTKB-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996608091 702911528 /nfs/dbraw/zinc/91/15/28/702911528.db2.gz FYDBKWZWDZLTKB-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000995242729 702918474 /nfs/dbraw/zinc/91/84/74/702918474.db2.gz HETOPDOXHBOIOG-DZGCQCFKSA-N 2 2 343.431 1.823 20 0 EDADLP Cc1cncc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c1 ZINC000996650591 702940162 /nfs/dbraw/zinc/94/01/62/702940162.db2.gz KTKVTUFITQHFDD-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1cncc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c1 ZINC000996650591 702940164 /nfs/dbraw/zinc/94/01/64/702940164.db2.gz KTKVTUFITQHFDD-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC000995253065 702972431 /nfs/dbraw/zinc/97/24/31/702972431.db2.gz SJXFSFFXFLTRPO-KGLIPLIRSA-N 2 2 346.435 1.464 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000996681319 702979703 /nfs/dbraw/zinc/97/97/03/702979703.db2.gz ZFNMNUOYBFQEAR-MRXNPFEDSA-N 2 2 335.452 1.053 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC000995253894 702991003 /nfs/dbraw/zinc/99/10/03/702991003.db2.gz UCWUASJNAHWZEZ-ZIAGYGMSSA-N 2 2 333.461 1.723 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000996711146 703005770 /nfs/dbraw/zinc/00/57/70/703005770.db2.gz BKEZPLOGCRLXIO-AWEZNQCLSA-N 2 2 347.850 1.958 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2nccs2)C[C@H]1C ZINC000942517862 703012182 /nfs/dbraw/zinc/01/21/82/703012182.db2.gz HUBOJUDDGBXFOI-OCCSQVGLSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2nccs2)C[C@H]1C ZINC000942517862 703012185 /nfs/dbraw/zinc/01/21/85/703012185.db2.gz HUBOJUDDGBXFOI-OCCSQVGLSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)on1 ZINC000942518133 703012571 /nfs/dbraw/zinc/01/25/71/703012571.db2.gz NALDQWKGAYTKQW-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)on1 ZINC000942518133 703012574 /nfs/dbraw/zinc/01/25/74/703012574.db2.gz NALDQWKGAYTKQW-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]CC[C@H]3CCOC3)CC2)c[nH+]1 ZINC000996720602 703014336 /nfs/dbraw/zinc/01/43/36/703014336.db2.gz GMOXUHLVFNPMMV-INIZCTEOSA-N 2 2 348.491 1.934 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)on1 ZINC000942518738 703020042 /nfs/dbraw/zinc/02/00/42/703020042.db2.gz VZPKLGWSIRGYDH-SWLSCSKDSA-N 2 2 347.419 1.215 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)on1 ZINC000942518738 703020045 /nfs/dbraw/zinc/02/00/45/703020045.db2.gz VZPKLGWSIRGYDH-SWLSCSKDSA-N 2 2 347.419 1.215 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996741286 703036649 /nfs/dbraw/zinc/03/66/49/703036649.db2.gz ZNXDXARSXGKJLM-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP C[C@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000942538407 703040111 /nfs/dbraw/zinc/04/01/11/703040111.db2.gz PJJRBSPUOCTVBJ-YOEHRIQHSA-N 2 2 328.416 1.305 20 0 EDADLP C[C@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000942538407 703040113 /nfs/dbraw/zinc/04/01/13/703040113.db2.gz PJJRBSPUOCTVBJ-YOEHRIQHSA-N 2 2 328.416 1.305 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)CCO1 ZINC000996834411 703122441 /nfs/dbraw/zinc/12/24/41/703122441.db2.gz OCUDKBZDKKKHBZ-JKSUJKDBSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000996858274 703142385 /nfs/dbraw/zinc/14/23/85/703142385.db2.gz FXFHWBXKQVHHBO-GFCCVEGCSA-N 2 2 332.408 1.306 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)o1 ZINC000997020885 703282687 /nfs/dbraw/zinc/28/26/87/703282687.db2.gz FEJKNXSOGAUCFQ-HZPDHXFCSA-N 2 2 343.431 1.601 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000997039282 703290469 /nfs/dbraw/zinc/29/04/69/703290469.db2.gz BPQBQWYPTCJEQD-LBPRGKRZSA-N 2 2 326.391 1.968 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2csc(Cl)n2)CC1 ZINC000997039559 703290535 /nfs/dbraw/zinc/29/05/35/703290535.db2.gz DHURHGGVXTVBMQ-UHFFFAOYSA-N 2 2 339.852 1.843 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000997042642 703292496 /nfs/dbraw/zinc/29/24/96/703292496.db2.gz SCWXOKXETDIKIO-UHFFFAOYSA-N 2 2 339.852 1.843 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1F ZINC000997053262 703306046 /nfs/dbraw/zinc/30/60/46/703306046.db2.gz KJKMESKZJUJONJ-UHFFFAOYSA-N 2 2 346.406 1.881 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997067789 703311964 /nfs/dbraw/zinc/31/19/64/703311964.db2.gz ZQKGWKQZOPBIAS-UHFFFAOYSA-N 2 2 348.476 1.639 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823206 703331453 /nfs/dbraw/zinc/33/14/53/703331453.db2.gz SOCMSZBUKUSGNV-HOCLYGCPSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823206 703331456 /nfs/dbraw/zinc/33/14/56/703331456.db2.gz SOCMSZBUKUSGNV-HOCLYGCPSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@H]1C[NH+](Cc2ccon2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942823206 703331457 /nfs/dbraw/zinc/33/14/57/703331457.db2.gz SOCMSZBUKUSGNV-HOCLYGCPSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@H]1C[NH+](Cc2ccon2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942823206 703331460 /nfs/dbraw/zinc/33/14/60/703331460.db2.gz SOCMSZBUKUSGNV-HOCLYGCPSA-N 2 2 334.464 1.733 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]Cc2ccccn2)CC1)[NH+]1CCOCC1 ZINC000997095045 703334565 /nfs/dbraw/zinc/33/45/65/703334565.db2.gz XVRIXZGKQVRBTE-UHFFFAOYSA-N 2 2 346.475 1.273 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997182326 703467410 /nfs/dbraw/zinc/46/74/10/703467410.db2.gz XAGXZLAISQIIRY-NVXWUHKLSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997182326 703467411 /nfs/dbraw/zinc/46/74/11/703467411.db2.gz XAGXZLAISQIIRY-NVXWUHKLSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000997220404 703498573 /nfs/dbraw/zinc/49/85/73/703498573.db2.gz AOGQYVYDFNOAIF-UHFFFAOYSA-N 2 2 328.420 1.140 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)cs1 ZINC000997209398 703509008 /nfs/dbraw/zinc/50/90/08/703509008.db2.gz COESZQHNJMOKBJ-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)s1 ZINC000997211202 703510667 /nfs/dbraw/zinc/51/06/67/703510667.db2.gz ORVBOKFXTYJPKW-UHFFFAOYSA-N 2 2 334.449 1.201 20 0 EDADLP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032444519 703621614 /nfs/dbraw/zinc/62/16/14/703621614.db2.gz BPRFFJZPFBKKKB-BZSNNMDCSA-N 2 2 328.460 1.515 20 0 EDADLP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032444519 703621616 /nfs/dbraw/zinc/62/16/16/703621616.db2.gz BPRFFJZPFBKKKB-BZSNNMDCSA-N 2 2 328.460 1.515 20 0 EDADLP Cc1nccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032456167 703633969 /nfs/dbraw/zinc/63/39/69/703633969.db2.gz KAZWWNGOHISCOG-ULQDDVLXSA-N 2 2 343.475 1.445 20 0 EDADLP Cc1nccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032456167 703633970 /nfs/dbraw/zinc/63/39/70/703633970.db2.gz KAZWWNGOHISCOG-ULQDDVLXSA-N 2 2 343.475 1.445 20 0 EDADLP Cc1nccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032456167 703633971 /nfs/dbraw/zinc/63/39/71/703633971.db2.gz KAZWWNGOHISCOG-ULQDDVLXSA-N 2 2 343.475 1.445 20 0 EDADLP Cc1nccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032456167 703633972 /nfs/dbraw/zinc/63/39/72/703633972.db2.gz KAZWWNGOHISCOG-ULQDDVLXSA-N 2 2 343.475 1.445 20 0 EDADLP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460146 703650572 /nfs/dbraw/zinc/65/05/72/703650572.db2.gz DWCPWCJEMWXENI-BQFCYCMXSA-N 2 2 330.476 1.761 20 0 EDADLP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460146 703650573 /nfs/dbraw/zinc/65/05/73/703650573.db2.gz DWCPWCJEMWXENI-BQFCYCMXSA-N 2 2 330.476 1.761 20 0 EDADLP Cc1ccnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997513967 703762379 /nfs/dbraw/zinc/76/23/79/703762379.db2.gz AMVJUOGVCWKLAO-RDJZCZTQSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997513967 703762381 /nfs/dbraw/zinc/76/23/81/703762381.db2.gz AMVJUOGVCWKLAO-RDJZCZTQSA-N 2 2 345.491 1.596 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000997640912 703945742 /nfs/dbraw/zinc/94/57/42/703945742.db2.gz BCSJBSAVUWMOOT-YOEHRIQHSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC000997640912 703945745 /nfs/dbraw/zinc/94/57/45/703945745.db2.gz BCSJBSAVUWMOOT-YOEHRIQHSA-N 2 2 348.495 1.016 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032522377 703969422 /nfs/dbraw/zinc/96/94/22/703969422.db2.gz BVCDRRQYRRWOIY-GJZGRUSLSA-N 2 2 343.431 1.536 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032522377 703969424 /nfs/dbraw/zinc/96/94/24/703969424.db2.gz BVCDRRQYRRWOIY-GJZGRUSLSA-N 2 2 343.431 1.536 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033069797 704098097 /nfs/dbraw/zinc/09/80/97/704098097.db2.gz LAHIQEHNUXBDOL-WMZOPIPTSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033069797 704098099 /nfs/dbraw/zinc/09/80/99/704098099.db2.gz LAHIQEHNUXBDOL-WMZOPIPTSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033069797 704098103 /nfs/dbraw/zinc/09/81/03/704098103.db2.gz LAHIQEHNUXBDOL-WMZOPIPTSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033069797 704098106 /nfs/dbraw/zinc/09/81/06/704098106.db2.gz LAHIQEHNUXBDOL-WMZOPIPTSA-N 2 2 345.491 1.691 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081712 704137504 /nfs/dbraw/zinc/13/75/04/704137504.db2.gz NPCZXCREADVGPK-DLBZAZTESA-N 2 2 345.491 1.278 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081712 704137507 /nfs/dbraw/zinc/13/75/07/704137507.db2.gz NPCZXCREADVGPK-DLBZAZTESA-N 2 2 345.491 1.278 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081716 704137545 /nfs/dbraw/zinc/13/75/45/704137545.db2.gz NPCZXCREADVGPK-IAGOWNOFSA-N 2 2 345.491 1.278 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081716 704137547 /nfs/dbraw/zinc/13/75/47/704137547.db2.gz NPCZXCREADVGPK-IAGOWNOFSA-N 2 2 345.491 1.278 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000922854351 704431080 /nfs/dbraw/zinc/43/10/80/704431080.db2.gz WCMWYZMUMLDAGF-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000922854351 704431082 /nfs/dbraw/zinc/43/10/82/704431082.db2.gz WCMWYZMUMLDAGF-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3F)C(C)(C)C2)C1 ZINC000995604283 704567742 /nfs/dbraw/zinc/56/77/42/704567742.db2.gz LNXSDINTVZXQLY-IAGOWNOFSA-N 2 2 349.450 1.483 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3F)C(C)(C)C2)C1 ZINC000995604283 704567743 /nfs/dbraw/zinc/56/77/43/704567743.db2.gz LNXSDINTVZXQLY-IAGOWNOFSA-N 2 2 349.450 1.483 20 0 EDADLP Cc1noc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000997737758 704635237 /nfs/dbraw/zinc/63/52/37/704635237.db2.gz LWARFTJBCGZWPE-UHFFFAOYSA-N 2 2 332.408 1.062 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997931522 705028711 /nfs/dbraw/zinc/02/87/11/705028711.db2.gz ZGXIJZSKBCLDES-KRWDZBQOSA-N 2 2 348.491 1.750 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000998182355 705477578 /nfs/dbraw/zinc/47/75/78/705477578.db2.gz JPEYCAJAHJAAPD-UHFFFAOYSA-N 2 2 328.420 1.079 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998185404 705486792 /nfs/dbraw/zinc/48/67/92/705486792.db2.gz ZJYAGLGNMGNFPP-UHFFFAOYSA-N 2 2 331.395 1.515 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998223924 705551642 /nfs/dbraw/zinc/55/16/42/705551642.db2.gz TZADNWDGRUNNFY-UHFFFAOYSA-N 2 2 327.432 1.386 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2nccnc2C)CC1 ZINC000998243693 705583090 /nfs/dbraw/zinc/58/30/90/705583090.db2.gz GBVRCOICMCWACN-UHFFFAOYSA-N 2 2 342.447 1.387 20 0 EDADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)s1 ZINC000998245313 705588624 /nfs/dbraw/zinc/58/86/24/705588624.db2.gz RVKMXQHVMGGQDX-UHFFFAOYSA-N 2 2 348.476 1.449 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000998244709 705590901 /nfs/dbraw/zinc/59/09/01/705590901.db2.gz NUMNVKASYXFEEW-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000998298376 705701986 /nfs/dbraw/zinc/70/19/86/705701986.db2.gz WMCSUOHRPCZNJY-UHFFFAOYSA-N 2 2 326.391 1.757 20 0 EDADLP CC(C)[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C(F)(F)F ZINC000998300571 705705430 /nfs/dbraw/zinc/70/54/30/705705430.db2.gz FBGKWNZVRHSPLC-STQMWFEESA-N 2 2 332.370 1.740 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC000998312947 705728293 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/nfs/dbraw/zinc/79/96/99/707799699.db2.gz TXVBXOTYQDEPTE-GJZGRUSLSA-N 2 2 342.447 1.259 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001033417345 707799702 /nfs/dbraw/zinc/79/97/02/707799702.db2.gz TXVBXOTYQDEPTE-GJZGRUSLSA-N 2 2 342.447 1.259 20 0 EDADLP C[C@H](CC(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1)n1cc[nH+]c1 ZINC000946766169 707828316 /nfs/dbraw/zinc/82/83/16/707828316.db2.gz KYCXVQPZALJDJW-GDBMZVCRSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@H](CC(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1)n1cc[nH+]c1 ZINC000946766169 707828322 /nfs/dbraw/zinc/82/83/22/707828322.db2.gz KYCXVQPZALJDJW-GDBMZVCRSA-N 2 2 347.463 1.036 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001061605075 707862462 /nfs/dbraw/zinc/86/24/62/707862462.db2.gz WAEGCEHXTHVSFX-HOTGVXAUSA-N 2 2 331.464 1.296 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001061605075 707862464 /nfs/dbraw/zinc/86/24/64/707862464.db2.gz WAEGCEHXTHVSFX-HOTGVXAUSA-N 2 2 331.464 1.296 20 0 EDADLP COc1ccc(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001033458690 707909063 /nfs/dbraw/zinc/90/90/63/707909063.db2.gz QXXAQDLZBRNSKP-QGZVFWFLSA-N 2 2 342.443 1.736 20 0 EDADLP COc1ccc(CC[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001033458690 707909066 /nfs/dbraw/zinc/90/90/66/707909066.db2.gz QXXAQDLZBRNSKP-QGZVFWFLSA-N 2 2 342.443 1.736 20 0 EDADLP CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033473745 707962448 /nfs/dbraw/zinc/96/24/48/707962448.db2.gz OOOSKJBGUFQBGJ-QGZVFWFLSA-N 2 2 337.508 1.964 20 0 EDADLP CCCC[N@H+]1CC[C@@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033473745 707962450 /nfs/dbraw/zinc/96/24/50/707962450.db2.gz OOOSKJBGUFQBGJ-QGZVFWFLSA-N 2 2 337.508 1.964 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1 ZINC001032784095 707982418 /nfs/dbraw/zinc/98/24/18/707982418.db2.gz GSLCSROEUQKSGP-KBPBESRZSA-N 2 2 331.445 1.176 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1 ZINC001032784095 707982422 /nfs/dbraw/zinc/98/24/22/707982422.db2.gz GSLCSROEUQKSGP-KBPBESRZSA-N 2 2 331.445 1.176 20 0 EDADLP Cc1nc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2C)cs1 ZINC001032784498 707984827 /nfs/dbraw/zinc/98/48/27/707984827.db2.gz ZZOBGLKNFMIULM-HOTGVXAUSA-N 2 2 345.472 1.484 20 0 EDADLP Cc1nc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2C)cs1 ZINC001032784498 707984829 /nfs/dbraw/zinc/98/48/29/707984829.db2.gz ZZOBGLKNFMIULM-HOTGVXAUSA-N 2 2 345.472 1.484 20 0 EDADLP CCn1ncnc1C[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001000333935 707986011 /nfs/dbraw/zinc/98/60/11/707986011.db2.gz FBLFRXKNRMNASR-GJZGRUSLSA-N 2 2 345.451 1.226 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016255982 708147865 /nfs/dbraw/zinc/14/78/65/708147865.db2.gz POWXYQCQWZRCMZ-STQMWFEESA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016255982 708147868 /nfs/dbraw/zinc/14/78/68/708147868.db2.gz POWXYQCQWZRCMZ-STQMWFEESA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016255982 708147870 /nfs/dbraw/zinc/14/78/70/708147870.db2.gz POWXYQCQWZRCMZ-STQMWFEESA-N 2 2 339.871 1.024 20 0 EDADLP Cc1nn(C)c(Cl)c1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016255982 708147872 /nfs/dbraw/zinc/14/78/72/708147872.db2.gz POWXYQCQWZRCMZ-STQMWFEESA-N 2 2 339.871 1.024 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)cn1 ZINC001033531119 708153878 /nfs/dbraw/zinc/15/38/78/708153878.db2.gz JFWPLWRVJHNQSD-SFHVURJKSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)CC3)C2)cn1 ZINC001033531119 708153879 /nfs/dbraw/zinc/15/38/79/708153879.db2.gz JFWPLWRVJHNQSD-SFHVURJKSA-N 2 2 345.491 1.550 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553480 708218182 /nfs/dbraw/zinc/21/81/82/708218182.db2.gz DAEDKZSQAIRJEA-HOCLYGCPSA-N 2 2 343.431 1.449 20 0 EDADLP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553480 708218185 /nfs/dbraw/zinc/21/81/85/708218185.db2.gz DAEDKZSQAIRJEA-HOCLYGCPSA-N 2 2 343.431 1.449 20 0 EDADLP CC(C)n1cc(C[NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H](C)C2)nn1 ZINC001044879926 708259018 /nfs/dbraw/zinc/25/90/18/708259018.db2.gz WJHMSJXJUQCQDV-GJZGRUSLSA-N 2 2 345.451 1.225 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3cnon3)CC2)CC[N@@H+]1C ZINC001001758409 708282174 /nfs/dbraw/zinc/28/21/74/708282174.db2.gz CTQTXWNKQUGLBW-ZFWWWQNUSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3cnon3)CC2)CC[N@H+]1C ZINC001001758409 708282177 /nfs/dbraw/zinc/28/21/77/708282177.db2.gz CTQTXWNKQUGLBW-ZFWWWQNUSA-N 2 2 335.452 1.128 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001033589947 708286196 /nfs/dbraw/zinc/28/61/96/708286196.db2.gz OSNRBYOSBCTCQL-MRXNPFEDSA-N 2 2 330.407 1.835 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001033589947 708286198 /nfs/dbraw/zinc/28/61/98/708286198.db2.gz OSNRBYOSBCTCQL-MRXNPFEDSA-N 2 2 330.407 1.835 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033656509 708425834 /nfs/dbraw/zinc/42/58/34/708425834.db2.gz BGOCZFNYEKAIGZ-OAHLLOKOSA-N 2 2 336.867 1.864 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033656509 708425835 /nfs/dbraw/zinc/42/58/35/708425835.db2.gz BGOCZFNYEKAIGZ-OAHLLOKOSA-N 2 2 336.867 1.864 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC001033665103 708447314 /nfs/dbraw/zinc/44/73/14/708447314.db2.gz LZXFWQRIKUSPPW-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)cn1 ZINC001033665103 708447315 /nfs/dbraw/zinc/44/73/15/708447315.db2.gz LZXFWQRIKUSPPW-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001033665082 708447360 /nfs/dbraw/zinc/44/73/60/708447360.db2.gz LKDMFAHRWOOCNC-CABCVRRESA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001033665082 708447361 /nfs/dbraw/zinc/44/73/61/708447361.db2.gz LKDMFAHRWOOCNC-CABCVRRESA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2noc3c2CCCC3)C1 ZINC001033665082 708447363 /nfs/dbraw/zinc/44/73/63/708447363.db2.gz LKDMFAHRWOOCNC-CABCVRRESA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2noc3c2CCCC3)C1 ZINC001033665082 708447367 /nfs/dbraw/zinc/44/73/67/708447367.db2.gz LKDMFAHRWOOCNC-CABCVRRESA-N 2 2 346.475 1.538 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033684406 708497242 /nfs/dbraw/zinc/49/72/42/708497242.db2.gz FDHSOUZJORFYJN-AEFFLSMTSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033684406 708497244 /nfs/dbraw/zinc/49/72/44/708497244.db2.gz FDHSOUZJORFYJN-AEFFLSMTSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033684406 708497246 /nfs/dbraw/zinc/49/72/46/708497246.db2.gz FDHSOUZJORFYJN-AEFFLSMTSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033684406 708497248 /nfs/dbraw/zinc/49/72/48/708497248.db2.gz FDHSOUZJORFYJN-AEFFLSMTSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001033777298 708704967 /nfs/dbraw/zinc/70/49/67/708704967.db2.gz UPQKAUXKMMVHPG-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001033777298 708704969 /nfs/dbraw/zinc/70/49/69/708704969.db2.gz UPQKAUXKMMVHPG-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(OC)nn2)C1 ZINC001033777298 708704971 /nfs/dbraw/zinc/70/49/71/708704971.db2.gz UPQKAUXKMMVHPG-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(OC)nn2)C1 ZINC001033777298 708704973 /nfs/dbraw/zinc/70/49/73/708704973.db2.gz UPQKAUXKMMVHPG-JKSUJKDBSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001033777296 708705172 /nfs/dbraw/zinc/70/51/72/708705172.db2.gz UPQKAUXKMMVHPG-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001033777296 708705174 /nfs/dbraw/zinc/70/51/74/708705174.db2.gz UPQKAUXKMMVHPG-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(OC)nn2)C1 ZINC001033777296 708705176 /nfs/dbraw/zinc/70/51/76/708705176.db2.gz UPQKAUXKMMVHPG-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(OC)nn2)C1 ZINC001033777296 708705177 /nfs/dbraw/zinc/70/51/77/708705177.db2.gz UPQKAUXKMMVHPG-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001005382902 708817081 /nfs/dbraw/zinc/81/70/81/708817081.db2.gz CTUNXPMHOPUXDS-KRWDZBQOSA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001005382902 708817083 /nfs/dbraw/zinc/81/70/83/708817083.db2.gz CTUNXPMHOPUXDS-KRWDZBQOSA-N 2 2 334.464 1.970 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ncccn3)CC2)CC[N@@H+]1C ZINC001005407726 708911619 /nfs/dbraw/zinc/91/16/19/708911619.db2.gz RFBOJSDBGMEFTC-GDBMZVCRSA-N 2 2 331.464 1.240 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ncccn3)CC2)CC[N@H+]1C ZINC001005407726 708911620 /nfs/dbraw/zinc/91/16/20/708911620.db2.gz RFBOJSDBGMEFTC-GDBMZVCRSA-N 2 2 331.464 1.240 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001005413002 708929163 /nfs/dbraw/zinc/92/91/63/708929163.db2.gz PFBLEYBAKYCFAS-GDBMZVCRSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001005413002 708929165 /nfs/dbraw/zinc/92/91/65/708929165.db2.gz PFBLEYBAKYCFAS-GDBMZVCRSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002537474 709082948 /nfs/dbraw/zinc/08/29/48/709082948.db2.gz YLCWPRMONOGMNE-GOSISDBHSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002537474 709082953 /nfs/dbraw/zinc/08/29/53/709082953.db2.gz YLCWPRMONOGMNE-GOSISDBHSA-N 2 2 349.450 1.545 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005477538 709103630 /nfs/dbraw/zinc/10/36/30/709103630.db2.gz RUKXPKYHKIXBQC-QGZVFWFLSA-N 2 2 345.491 1.774 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005477538 709103633 /nfs/dbraw/zinc/10/36/33/709103633.db2.gz RUKXPKYHKIXBQC-QGZVFWFLSA-N 2 2 345.491 1.774 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001034040193 709273660 /nfs/dbraw/zinc/27/36/60/709273660.db2.gz PXCMKEFGVNSLQF-DOTOQJQBSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001034040193 709273662 /nfs/dbraw/zinc/27/36/62/709273662.db2.gz PXCMKEFGVNSLQF-DOTOQJQBSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2coc(C3CC3)n2)C1 ZINC001034040193 709273664 /nfs/dbraw/zinc/27/36/64/709273664.db2.gz PXCMKEFGVNSLQF-DOTOQJQBSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2coc(C3CC3)n2)C1 ZINC001034040193 709273666 /nfs/dbraw/zinc/27/36/66/709273666.db2.gz PXCMKEFGVNSLQF-DOTOQJQBSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001034040195 709273678 /nfs/dbraw/zinc/27/36/78/709273678.db2.gz PXCMKEFGVNSLQF-RDJZCZTQSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001034040195 709273680 /nfs/dbraw/zinc/27/36/80/709273680.db2.gz PXCMKEFGVNSLQF-RDJZCZTQSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2coc(C3CC3)n2)C1 ZINC001034040195 709273681 /nfs/dbraw/zinc/27/36/81/709273681.db2.gz PXCMKEFGVNSLQF-RDJZCZTQSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2coc(C3CC3)n2)C1 ZINC001034040195 709273683 /nfs/dbraw/zinc/27/36/83/709273683.db2.gz PXCMKEFGVNSLQF-RDJZCZTQSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001034046598 709299189 /nfs/dbraw/zinc/29/91/89/709299189.db2.gz XVECZBXRCTUALV-GOEBONIOSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001034046598 709299191 /nfs/dbraw/zinc/29/91/91/709299191.db2.gz XVECZBXRCTUALV-GOEBONIOSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2csc(C)n2)C1 ZINC001034046598 709299192 /nfs/dbraw/zinc/29/91/92/709299192.db2.gz XVECZBXRCTUALV-GOEBONIOSA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2csc(C)n2)C1 ZINC001034046598 709299193 /nfs/dbraw/zinc/29/91/93/709299193.db2.gz XVECZBXRCTUALV-GOEBONIOSA-N 2 2 336.505 1.826 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3F)C2)C1 ZINC001034148679 709420159 /nfs/dbraw/zinc/42/01/59/709420159.db2.gz NGWURAKQWGURLB-SJLPKXTDSA-N 2 2 349.450 1.627 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3F)C2)C1 ZINC001034148679 709420160 /nfs/dbraw/zinc/42/01/60/709420160.db2.gz NGWURAKQWGURLB-SJLPKXTDSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3F)C2)C1 ZINC001034148679 709420161 /nfs/dbraw/zinc/42/01/61/709420161.db2.gz NGWURAKQWGURLB-SJLPKXTDSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3F)C2)C1 ZINC001034148679 709420162 /nfs/dbraw/zinc/42/01/62/709420162.db2.gz NGWURAKQWGURLB-SJLPKXTDSA-N 2 2 349.450 1.627 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001002833088 709443785 /nfs/dbraw/zinc/44/37/85/709443785.db2.gz OCZJDJFETKVPTR-INIZCTEOSA-N 2 2 332.448 1.405 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001002853189 709463467 /nfs/dbraw/zinc/46/34/67/709463467.db2.gz VATYZVIIPIGGJL-GDBMZVCRSA-N 2 2 331.464 1.206 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001002853189 709463468 /nfs/dbraw/zinc/46/34/68/709463468.db2.gz VATYZVIIPIGGJL-GDBMZVCRSA-N 2 2 331.464 1.206 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3nncn3C)CC2)CC[N@@H+]1C ZINC001002859626 709467176 /nfs/dbraw/zinc/46/71/76/709467176.db2.gz PYNFTQAODJWXIS-VNQPRFMTSA-N 2 2 348.495 1.187 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H](C)c3nncn3C)CC2)CC[N@H+]1C ZINC001002859626 709467177 /nfs/dbraw/zinc/46/71/77/709467177.db2.gz PYNFTQAODJWXIS-VNQPRFMTSA-N 2 2 348.495 1.187 20 0 EDADLP COC[C@H](C)[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001002873041 709493312 /nfs/dbraw/zinc/49/33/12/709493312.db2.gz WPWKSCPJNIDCBT-GUYCJALGSA-N 2 2 349.479 1.406 20 0 EDADLP COC[C@H](C)[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001002873041 709493316 /nfs/dbraw/zinc/49/33/16/709493316.db2.gz WPWKSCPJNIDCBT-GUYCJALGSA-N 2 2 349.479 1.406 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001034214733 709567524 /nfs/dbraw/zinc/56/75/24/709567524.db2.gz PMLOQTMVVVTFRV-IXDOHACOSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001034214733 709567527 /nfs/dbraw/zinc/56/75/27/709567527.db2.gz PMLOQTMVVVTFRV-IXDOHACOSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001034214733 709567529 /nfs/dbraw/zinc/56/75/29/709567529.db2.gz PMLOQTMVVVTFRV-IXDOHACOSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001034214733 709567532 /nfs/dbraw/zinc/56/75/32/709567532.db2.gz PMLOQTMVVVTFRV-IXDOHACOSA-N 2 2 345.491 1.596 20 0 EDADLP CO[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218623 709575389 /nfs/dbraw/zinc/57/53/89/709575389.db2.gz IFSPBKSXEBUUDF-CVEARBPZSA-N 2 2 348.491 1.768 20 0 EDADLP CO[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218623 709575394 /nfs/dbraw/zinc/57/53/94/709575394.db2.gz IFSPBKSXEBUUDF-CVEARBPZSA-N 2 2 348.491 1.768 20 0 EDADLP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034270940 709676637 /nfs/dbraw/zinc/67/66/37/709676637.db2.gz KBXGVDAWUYGCPB-IRXDYDNUSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034270940 709676639 /nfs/dbraw/zinc/67/66/39/709676639.db2.gz KBXGVDAWUYGCPB-IRXDYDNUSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034270940 709676642 /nfs/dbraw/zinc/67/66/42/709676642.db2.gz KBXGVDAWUYGCPB-IRXDYDNUSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034270940 709676644 /nfs/dbraw/zinc/67/66/44/709676644.db2.gz KBXGVDAWUYGCPB-IRXDYDNUSA-N 2 2 334.464 1.938 20 0 EDADLP Cn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001034277820 709693152 /nfs/dbraw/zinc/69/31/52/709693152.db2.gz SYTDLBQYONNZBP-DOTOQJQBSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001034277820 709693153 /nfs/dbraw/zinc/69/31/53/709693153.db2.gz SYTDLBQYONNZBP-DOTOQJQBSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001034277820 709693157 /nfs/dbraw/zinc/69/31/57/709693157.db2.gz SYTDLBQYONNZBP-DOTOQJQBSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001034277820 709693159 /nfs/dbraw/zinc/69/31/59/709693159.db2.gz SYTDLBQYONNZBP-DOTOQJQBSA-N 2 2 333.480 1.375 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c(C)c(C)[nH+]1 ZINC001061213321 709734754 /nfs/dbraw/zinc/73/47/54/709734754.db2.gz DVKFOPNQBFHICQ-QGZVFWFLSA-N 2 2 345.491 1.925 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cnc(C)o2)C1 ZINC001034309935 709752565 /nfs/dbraw/zinc/75/25/65/709752565.db2.gz RCBLWVBJMHQHHB-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2cnc(C)o2)C1 ZINC001034309935 709752566 /nfs/dbraw/zinc/75/25/66/709752566.db2.gz RCBLWVBJMHQHHB-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc[nH+]1 ZINC001061233092 709870889 /nfs/dbraw/zinc/87/08/89/709870889.db2.gz FQXSEYCGERPMTQ-SJORKVTESA-N 2 2 343.475 1.554 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1C ZINC001034394300 709930227 /nfs/dbraw/zinc/93/02/27/709930227.db2.gz KYRBCEFHJNBVCN-NVXWUHKLSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1C ZINC001034394300 709930228 /nfs/dbraw/zinc/93/02/28/709930228.db2.gz KYRBCEFHJNBVCN-NVXWUHKLSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)nn1C ZINC001034394300 709930229 /nfs/dbraw/zinc/93/02/29/709930229.db2.gz KYRBCEFHJNBVCN-NVXWUHKLSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)nn1C ZINC001034394300 709930231 /nfs/dbraw/zinc/93/02/31/709930231.db2.gz KYRBCEFHJNBVCN-NVXWUHKLSA-N 2 2 347.507 1.541 20 0 EDADLP Cn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001034431834 709999795 /nfs/dbraw/zinc/99/97/95/709999795.db2.gz PHPOIQAXCKLRDX-KRWDZBQOSA-N 2 2 347.507 1.623 20 0 EDADLP Cn1ccc(C[N@H+]2CCCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001034431834 709999798 /nfs/dbraw/zinc/99/97/98/709999798.db2.gz PHPOIQAXCKLRDX-KRWDZBQOSA-N 2 2 347.507 1.623 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001003144028 710040497 /nfs/dbraw/zinc/04/04/97/710040497.db2.gz HABQZQYJSVRQFK-DLBZAZTESA-N 2 2 343.475 1.574 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001003144028 710040502 /nfs/dbraw/zinc/04/05/02/710040502.db2.gz HABQZQYJSVRQFK-DLBZAZTESA-N 2 2 343.475 1.574 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003159837 710068837 /nfs/dbraw/zinc/06/88/37/710068837.db2.gz OHRPYTXAPCLFET-KRWDZBQOSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003159837 710068839 /nfs/dbraw/zinc/06/88/39/710068839.db2.gz OHRPYTXAPCLFET-KRWDZBQOSA-N 2 2 333.480 1.468 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccccn2)C1 ZINC001034491601 710112390 /nfs/dbraw/zinc/11/23/90/710112390.db2.gz VVEGTCJVRGYZAT-MRXNPFEDSA-N 2 2 327.432 1.529 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccn2)C1 ZINC001034491601 710112391 /nfs/dbraw/zinc/11/23/91/710112391.db2.gz VVEGTCJVRGYZAT-MRXNPFEDSA-N 2 2 327.432 1.529 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001034486005 710132115 /nfs/dbraw/zinc/13/21/15/710132115.db2.gz VRENFTCQJLBZAY-WBVHZDCISA-N 2 2 334.464 1.502 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001034486005 710132120 /nfs/dbraw/zinc/13/21/20/710132120.db2.gz VRENFTCQJLBZAY-WBVHZDCISA-N 2 2 334.464 1.502 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CCOC2CCC2)C1 ZINC001034502155 710142232 /nfs/dbraw/zinc/14/22/32/710142232.db2.gz DHFJBSWDXLVOMK-OAHLLOKOSA-N 2 2 334.464 1.800 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CCOC2CCC2)C1 ZINC001034502155 710142238 /nfs/dbraw/zinc/14/22/38/710142238.db2.gz DHFJBSWDXLVOMK-OAHLLOKOSA-N 2 2 334.464 1.800 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525209 710174420 /nfs/dbraw/zinc/17/44/20/710174420.db2.gz KJNNAFAMXYBPKU-CVEARBPZSA-N 2 2 345.491 1.252 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525209 710174421 /nfs/dbraw/zinc/17/44/21/710174421.db2.gz KJNNAFAMXYBPKU-CVEARBPZSA-N 2 2 345.491 1.252 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525209 710174422 /nfs/dbraw/zinc/17/44/22/710174422.db2.gz KJNNAFAMXYBPKU-CVEARBPZSA-N 2 2 345.491 1.252 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cc4n(n3)CCC4)C2)C1 ZINC001034525209 710174423 /nfs/dbraw/zinc/17/44/23/710174423.db2.gz KJNNAFAMXYBPKU-CVEARBPZSA-N 2 2 345.491 1.252 20 0 EDADLP C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529417 710183655 /nfs/dbraw/zinc/18/36/55/710183655.db2.gz ZXRZHSDQRYKODI-HOTGVXAUSA-N 2 2 331.464 1.604 20 0 EDADLP C[C@@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529417 710183660 /nfs/dbraw/zinc/18/36/60/710183660.db2.gz ZXRZHSDQRYKODI-HOTGVXAUSA-N 2 2 331.464 1.604 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034529549 710184320 /nfs/dbraw/zinc/18/43/20/710184320.db2.gz IZTOMHGVCNOZLU-HNNXBMFYSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034529549 710184323 /nfs/dbraw/zinc/18/43/23/710184323.db2.gz IZTOMHGVCNOZLU-HNNXBMFYSA-N 2 2 330.436 1.096 20 0 EDADLP CC(C)c1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC001034612528 710287461 /nfs/dbraw/zinc/28/74/61/710287461.db2.gz RVLJVTRZUVXXCB-RBSFLKMASA-N 2 2 349.479 1.804 20 0 EDADLP CC(C)c1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)no1 ZINC001034612528 710287464 /nfs/dbraw/zinc/28/74/64/710287464.db2.gz RVLJVTRZUVXXCB-RBSFLKMASA-N 2 2 349.479 1.804 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003737024 710518307 /nfs/dbraw/zinc/51/83/07/710518307.db2.gz CXGVUDWEFXSLSG-KRWDZBQOSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003737024 710518309 /nfs/dbraw/zinc/51/83/09/710518309.db2.gz CXGVUDWEFXSLSG-KRWDZBQOSA-N 2 2 347.507 1.764 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005591293 710647860 /nfs/dbraw/zinc/64/78/60/710647860.db2.gz HPMKANPVLSVPRL-WBVHZDCISA-N 2 2 345.491 1.945 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005591293 710647863 /nfs/dbraw/zinc/64/78/63/710647863.db2.gz HPMKANPVLSVPRL-WBVHZDCISA-N 2 2 345.491 1.945 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005626658 710767790 /nfs/dbraw/zinc/76/77/90/710767790.db2.gz WOLRECWPSQDFNB-CABCVRRESA-N 2 2 334.464 1.403 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)no1 ZINC001034776375 711052461 /nfs/dbraw/zinc/05/24/61/711052461.db2.gz QQZNUBTYVIWYCU-HDJSIYSDSA-N 2 2 331.420 1.476 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC001034786686 711091356 /nfs/dbraw/zinc/09/13/56/711091356.db2.gz QZMDHJFRAAFQKK-HDJSIYSDSA-N 2 2 331.420 1.774 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001034793897 711125053 /nfs/dbraw/zinc/12/50/53/711125053.db2.gz UDTQPWKEBSFSKG-HDJSIYSDSA-N 2 2 332.408 1.100 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001003972443 711126561 /nfs/dbraw/zinc/12/65/61/711126561.db2.gz XLRBVXUWWHUKRX-UHFFFAOYSA-N 2 2 330.407 1.883 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799555 711136203 /nfs/dbraw/zinc/13/62/03/711136203.db2.gz JZTAHOLPTPNAML-HDJSIYSDSA-N 2 2 333.461 1.865 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003983891 711183919 /nfs/dbraw/zinc/18/39/19/711183919.db2.gz SGACTEWRHTUNNY-UHFFFAOYSA-N 2 2 342.447 1.276 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1 ZINC001034819657 711219566 /nfs/dbraw/zinc/21/95/66/711219566.db2.gz AFANMVNHZOJLHV-GOSISDBHSA-N 2 2 333.476 1.913 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1 ZINC001034819657 711219569 /nfs/dbraw/zinc/21/95/69/711219569.db2.gz AFANMVNHZOJLHV-GOSISDBHSA-N 2 2 333.476 1.913 20 0 EDADLP CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001034890407 711345753 /nfs/dbraw/zinc/34/57/53/711345753.db2.gz BZCNRMMMUFSYTP-MOPGFXCFSA-N 2 2 345.487 1.660 20 0 EDADLP CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001034890407 711345759 /nfs/dbraw/zinc/34/57/59/711345759.db2.gz BZCNRMMMUFSYTP-MOPGFXCFSA-N 2 2 345.487 1.660 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001004053782 711376274 /nfs/dbraw/zinc/37/62/74/711376274.db2.gz QULZTFYLRWSUIX-HNNXBMFYSA-N 2 2 334.464 1.658 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034942461 711395523 /nfs/dbraw/zinc/39/55/23/711395523.db2.gz IYXVHPGEUGHSAW-UKRRQHHQSA-N 2 2 346.435 1.560 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001034956912 711427389 /nfs/dbraw/zinc/42/73/89/711427389.db2.gz GDPJFEQOKOXETP-UONOGXRCSA-N 2 2 348.495 1.493 20 0 EDADLP Cc1noc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)n1 ZINC001034957009 711428100 /nfs/dbraw/zinc/42/81/00/711428100.db2.gz HSXCMEQOXCOQMV-GXTWGEPZSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)o1 ZINC001034957720 711429788 /nfs/dbraw/zinc/42/97/88/711429788.db2.gz GNRYEZBJRRHHRA-SWLSCSKDSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)o1 ZINC001034957720 711429789 /nfs/dbraw/zinc/42/97/89/711429789.db2.gz GNRYEZBJRRHHRA-SWLSCSKDSA-N 2 2 335.452 1.504 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001034960501 711439581 /nfs/dbraw/zinc/43/95/81/711439581.db2.gz LYKZIDMMBKYTQB-CZUORRHYSA-N 2 2 335.452 1.053 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004142016 711541655 /nfs/dbraw/zinc/54/16/55/711541655.db2.gz FXJNEHLNAHHPQC-AWEZNQCLSA-N 2 2 334.464 1.830 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004142016 711541656 /nfs/dbraw/zinc/54/16/56/711541656.db2.gz FXJNEHLNAHHPQC-AWEZNQCLSA-N 2 2 334.464 1.830 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004475051 711851751 /nfs/dbraw/zinc/85/17/51/711851751.db2.gz QYZFSDKQIJBRGH-WMZOPIPTSA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004475051 711851753 /nfs/dbraw/zinc/85/17/53/711851753.db2.gz QYZFSDKQIJBRGH-WMZOPIPTSA-N 2 2 346.475 1.141 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033126907 711891578 /nfs/dbraw/zinc/89/15/78/711891578.db2.gz POFJXWGLOVAWST-FUHWJXTLSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033126907 711891579 /nfs/dbraw/zinc/89/15/79/711891579.db2.gz POFJXWGLOVAWST-FUHWJXTLSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033126907 711891581 /nfs/dbraw/zinc/89/15/81/711891581.db2.gz POFJXWGLOVAWST-FUHWJXTLSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033126907 711891583 /nfs/dbraw/zinc/89/15/83/711891583.db2.gz POFJXWGLOVAWST-FUHWJXTLSA-N 2 2 345.491 1.692 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609986 712063565 /nfs/dbraw/zinc/06/35/65/712063565.db2.gz MAPDUTXZVARVDA-YJBOKZPZSA-N 2 2 348.491 1.437 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609986 712063567 /nfs/dbraw/zinc/06/35/67/712063567.db2.gz MAPDUTXZVARVDA-YJBOKZPZSA-N 2 2 348.491 1.437 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000052867851 214151648 /nfs/dbraw/zinc/15/16/48/214151648.db2.gz IRQHEDCXARLWBO-UHFFFAOYSA-N 2 2 349.475 1.690 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1CO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052871513 214152070 /nfs/dbraw/zinc/15/20/70/214152070.db2.gz YPZDKJUBDWIHIY-GOSISDBHSA-N 2 2 347.459 1.304 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1CO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052871513 214152072 /nfs/dbraw/zinc/15/20/72/214152072.db2.gz YPZDKJUBDWIHIY-GOSISDBHSA-N 2 2 347.459 1.304 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc(Cc2ccccc2)no1 ZINC000174722369 529887887 /nfs/dbraw/zinc/88/78/87/529887887.db2.gz RQBACEKBLXWFQO-UHFFFAOYSA-N 2 2 343.475 1.730 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc(Cc2ccccc2)no1 ZINC000174722369 529887889 /nfs/dbraw/zinc/88/78/89/529887889.db2.gz RQBACEKBLXWFQO-UHFFFAOYSA-N 2 2 343.475 1.730 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCc3ccccc3O2)CC1 ZINC000412163625 303979104 /nfs/dbraw/zinc/97/91/04/303979104.db2.gz NHNDAFABXQXNBO-GOSISDBHSA-N 2 2 331.460 1.522 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000561146597 306282724 /nfs/dbraw/zinc/28/27/24/306282724.db2.gz IWHSGBRDTPWYTE-XJKSGUPXSA-N 2 2 345.422 1.947 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCNC(=O)C3CC3)c2cc1C ZINC000561510571 306288811 /nfs/dbraw/zinc/28/88/11/306288811.db2.gz ZLYZHPAYCAXILJ-OAHLLOKOSA-N 2 2 330.432 1.130 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000151316453 539749986 /nfs/dbraw/zinc/74/99/86/539749986.db2.gz HFGRYHPYGRIIST-QZTJIDSGSA-N 2 2 344.459 1.374 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)c1 ZINC000103861002 219327733 /nfs/dbraw/zinc/32/77/33/219327733.db2.gz UOQWTKITJLGCGY-CQSZACIVSA-N 2 2 344.419 1.207 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000104215240 219361928 /nfs/dbraw/zinc/36/19/28/219361928.db2.gz UKHZNBMBKRJWNL-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000104215240 219361931 /nfs/dbraw/zinc/36/19/31/219361931.db2.gz UKHZNBMBKRJWNL-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104215240 219361935 /nfs/dbraw/zinc/36/19/35/219361935.db2.gz UKHZNBMBKRJWNL-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104215240 219361937 /nfs/dbraw/zinc/36/19/37/219361937.db2.gz UKHZNBMBKRJWNL-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000412692888 304027313 /nfs/dbraw/zinc/02/73/13/304027313.db2.gz DXQKIZSVNJGEGY-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000412692888 304027315 /nfs/dbraw/zinc/02/73/15/304027315.db2.gz DXQKIZSVNJGEGY-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](c2nccs2)c2ccccc2)CC1 ZINC000562935142 306312804 /nfs/dbraw/zinc/31/28/04/306312804.db2.gz CTIFGALMUVSZLC-IRXDYDNUSA-N 2 2 346.500 1.430 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354438710 283065102 /nfs/dbraw/zinc/06/51/02/283065102.db2.gz OZNJMKDJRZWQNY-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354438710 283065104 /nfs/dbraw/zinc/06/51/04/283065104.db2.gz OZNJMKDJRZWQNY-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354438710 283065106 /nfs/dbraw/zinc/06/51/06/283065106.db2.gz OZNJMKDJRZWQNY-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354438710 283065108 /nfs/dbraw/zinc/06/51/08/283065108.db2.gz OZNJMKDJRZWQNY-SJLPKXTDSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000413030658 304050998 /nfs/dbraw/zinc/05/09/98/304050998.db2.gz DJARMJPLDCARNU-KRWDZBQOSA-N 2 2 346.475 1.235 20 0 EDADLP C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000413030658 304050999 /nfs/dbraw/zinc/05/09/99/304050999.db2.gz DJARMJPLDCARNU-KRWDZBQOSA-N 2 2 346.475 1.235 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563459250 306334701 /nfs/dbraw/zinc/33/47/01/306334701.db2.gz WSJCPXPJTXGSEJ-GLQYFDAESA-N 2 2 340.830 1.885 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563459250 306334702 /nfs/dbraw/zinc/33/47/02/306334702.db2.gz WSJCPXPJTXGSEJ-GLQYFDAESA-N 2 2 340.830 1.885 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCCCC[NH+]3CCOCC3)nc[nH+]2)C1 ZINC000413061402 304054811 /nfs/dbraw/zinc/05/48/11/304054811.db2.gz PIHYAGXFSLYVNO-CVEARBPZSA-N 2 2 349.479 1.208 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCCCC[NH+]3CCOCC3)[nH+]cn2)C1 ZINC000413061402 304054812 /nfs/dbraw/zinc/05/48/12/304054812.db2.gz PIHYAGXFSLYVNO-CVEARBPZSA-N 2 2 349.479 1.208 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C2CCOCC2)CC1)Cc1ccccc1 ZINC000081032279 138265411 /nfs/dbraw/zinc/26/54/11/138265411.db2.gz WIFYCQNSTWOMAL-UHFFFAOYSA-N 2 2 331.460 1.442 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C2CCOCC2)CC1)Cc1ccccc1 ZINC000081032279 138265412 /nfs/dbraw/zinc/26/54/12/138265412.db2.gz WIFYCQNSTWOMAL-UHFFFAOYSA-N 2 2 331.460 1.442 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+](Cc3cnc4cnccn34)CC2)CC1 ZINC000124457295 138326743 /nfs/dbraw/zinc/32/67/43/138326743.db2.gz QHTNEKKVHZJACU-UHFFFAOYSA-N 2 2 342.491 1.721 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3cnc4cnccn34)CC2)CC1 ZINC000124457295 138326744 /nfs/dbraw/zinc/32/67/44/138326744.db2.gz QHTNEKKVHZJACU-UHFFFAOYSA-N 2 2 342.491 1.721 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000129829069 138338813 /nfs/dbraw/zinc/33/88/13/138338813.db2.gz ICRCCEAZIQIGRN-UHFFFAOYSA-N 2 2 332.448 1.819 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000129829069 138338814 /nfs/dbraw/zinc/33/88/14/138338814.db2.gz ICRCCEAZIQIGRN-UHFFFAOYSA-N 2 2 332.448 1.819 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1Cl ZINC000563606970 306341642 /nfs/dbraw/zinc/34/16/42/306341642.db2.gz RXBJVCFZHHHJMB-JQWIXIFHSA-N 2 2 328.819 1.824 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1Cl ZINC000563606970 306341643 /nfs/dbraw/zinc/34/16/43/306341643.db2.gz RXBJVCFZHHHJMB-JQWIXIFHSA-N 2 2 328.819 1.824 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)n1C ZINC000563633375 306343185 /nfs/dbraw/zinc/34/31/85/306343185.db2.gz YDEIVYROVDZFPZ-OAHLLOKOSA-N 2 2 343.431 1.216 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(C(=O)Cc3ccc(O)cc3)CC2)CC1 ZINC000133768040 138397878 /nfs/dbraw/zinc/39/78/78/138397878.db2.gz ROGJAGUIQZWEKX-UHFFFAOYSA-N 2 2 345.487 1.953 20 0 EDADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000563694258 306345396 /nfs/dbraw/zinc/34/53/96/306345396.db2.gz DIATYGFHWSRQDW-OAGGEKHMSA-N 2 2 331.464 1.528 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000186846247 236040672 /nfs/dbraw/zinc/04/06/72/236040672.db2.gz DSJUJWYVXWXPMD-IEBWSBKVSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000186846247 236040674 /nfs/dbraw/zinc/04/06/74/236040674.db2.gz DSJUJWYVXWXPMD-IEBWSBKVSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000186950604 236076385 /nfs/dbraw/zinc/07/63/85/236076385.db2.gz OAJODZWMCLRWFG-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000186950604 236076387 /nfs/dbraw/zinc/07/63/87/236076387.db2.gz OAJODZWMCLRWFG-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000187795523 236302235 /nfs/dbraw/zinc/30/22/35/236302235.db2.gz ZHNIGZKBJAQDCG-INIZCTEOSA-N 2 2 347.463 1.011 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CC[N@H+]1CCCC[C@@H]1C)C2 ZINC000563963962 306353655 /nfs/dbraw/zinc/35/36/55/306353655.db2.gz GCHQHQAQDKHAIU-GOEBONIOSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)CC[N@@H+]1CCCC[C@@H]1C)C2 ZINC000563963962 306353656 /nfs/dbraw/zinc/35/36/56/306353656.db2.gz GCHQHQAQDKHAIU-GOEBONIOSA-N 2 2 348.491 1.422 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000175548126 138696993 /nfs/dbraw/zinc/69/69/93/138696993.db2.gz HCVBKJCOYVKWRJ-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CN[C@H](c2[nH]cc[nH+]2)c2ccccn2)CC1 ZINC000565154328 306376167 /nfs/dbraw/zinc/37/61/67/306376167.db2.gz CNRVRAPYUOQJFZ-RDJZCZTQSA-N 2 2 329.448 1.577 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377262795 291247269 /nfs/dbraw/zinc/24/72/69/291247269.db2.gz RNGAPCBBHIVUOY-LSDHHAIUSA-N 2 2 327.469 1.106 20 0 EDADLP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377262795 291247270 /nfs/dbraw/zinc/24/72/70/291247270.db2.gz RNGAPCBBHIVUOY-LSDHHAIUSA-N 2 2 327.469 1.106 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000414747292 304136675 /nfs/dbraw/zinc/13/66/75/304136675.db2.gz MNSGXHZUSNTYEM-SFHVURJKSA-N 2 2 344.503 1.567 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000566555648 306419512 /nfs/dbraw/zinc/41/95/12/306419512.db2.gz GDTWVTVKLFFXAM-NUJGCVRESA-N 2 2 331.460 1.787 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353896273 296140199 /nfs/dbraw/zinc/14/01/99/296140199.db2.gz BSOBYYZFCVWYPQ-RTBURBONSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353896273 296140201 /nfs/dbraw/zinc/14/02/01/296140201.db2.gz BSOBYYZFCVWYPQ-RTBURBONSA-N 2 2 349.519 1.964 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@H]2CCC[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000195142604 139007674 /nfs/dbraw/zinc/00/76/74/139007674.db2.gz MGJGFGLCELYBDW-HOCLYGCPSA-N 2 2 328.416 1.634 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000415149585 304165687 /nfs/dbraw/zinc/16/56/87/304165687.db2.gz OGRZAUQINNVHJY-PBHICJAKSA-N 2 2 332.448 1.905 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000369916573 284350745 /nfs/dbraw/zinc/35/07/45/284350745.db2.gz UUGBFZXFCQUVPW-QGZVFWFLSA-N 2 2 336.524 1.347 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000369916573 284350749 /nfs/dbraw/zinc/35/07/49/284350749.db2.gz UUGBFZXFCQUVPW-QGZVFWFLSA-N 2 2 336.524 1.347 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000111231198 220116903 /nfs/dbraw/zinc/11/69/03/220116903.db2.gz ZXAVPPXTZZZKHT-HNNXBMFYSA-N 2 2 335.448 1.668 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000111231198 220116908 /nfs/dbraw/zinc/11/69/08/220116908.db2.gz ZXAVPPXTZZZKHT-HNNXBMFYSA-N 2 2 335.448 1.668 20 0 EDADLP COc1ccc([C@@H](CNC(=O)[C@H]2COCC[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000237490190 139052365 /nfs/dbraw/zinc/05/23/65/139052365.db2.gz BFTCGZUMEVLRNL-QZTJIDSGSA-N 2 2 347.459 1.327 20 0 EDADLP CN(C(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CC1 ZINC000080987443 217347784 /nfs/dbraw/zinc/34/77/84/217347784.db2.gz DIYBGQIQTMIVKL-UHFFFAOYSA-N 2 2 330.476 1.641 20 0 EDADLP CN(C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CC1 ZINC000080987443 217347786 /nfs/dbraw/zinc/34/77/86/217347786.db2.gz DIYBGQIQTMIVKL-UHFFFAOYSA-N 2 2 330.476 1.641 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000111810843 220194657 /nfs/dbraw/zinc/19/46/57/220194657.db2.gz WLOPGYKENOVPTN-INIZCTEOSA-N 2 2 345.447 1.287 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000111810843 220194659 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20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245552245 139079140 /nfs/dbraw/zinc/07/91/40/139079140.db2.gz POASTZZBBONZKH-PMPSAXMXSA-N 2 2 331.464 1.642 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245552245 139079141 /nfs/dbraw/zinc/07/91/41/139079141.db2.gz POASTZZBBONZKH-PMPSAXMXSA-N 2 2 331.464 1.642 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245653746 139082192 /nfs/dbraw/zinc/08/21/92/139082192.db2.gz CFTFPGWHKZSMEW-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245653746 139082193 /nfs/dbraw/zinc/08/21/93/139082193.db2.gz CFTFPGWHKZSMEW-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000568176256 306474730 /nfs/dbraw/zinc/47/47/30/306474730.db2.gz VGPNASXRRLCQCI-SJORKVTESA-N 2 2 339.524 1.991 20 0 EDADLP O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266010958 248026908 /nfs/dbraw/zinc/02/69/08/248026908.db2.gz LWRDYZMQULUYHU-DOTOQJQBSA-N 2 2 338.423 1.220 20 0 EDADLP O[C@@H](COc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266010958 248026910 /nfs/dbraw/zinc/02/69/10/248026910.db2.gz LWRDYZMQULUYHU-DOTOQJQBSA-N 2 2 338.423 1.220 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000568371839 306479966 /nfs/dbraw/zinc/47/99/66/306479966.db2.gz AIXPLHWMIKSSRT-SFHVURJKSA-N 2 2 348.491 1.667 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247779711 139154894 /nfs/dbraw/zinc/15/48/94/139154894.db2.gz XJRDWMYMOJXEDL-GDBMZVCRSA-N 2 2 347.463 1.925 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247779711 139154895 /nfs/dbraw/zinc/15/48/95/139154895.db2.gz XJRDWMYMOJXEDL-GDBMZVCRSA-N 2 2 347.463 1.925 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)sc2n1 ZINC000248131959 139158648 /nfs/dbraw/zinc/15/86/48/139158648.db2.gz OOECYLPQTYOWQG-STQMWFEESA-N 2 2 333.461 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)sc2n1 ZINC000248131959 139158649 /nfs/dbraw/zinc/15/86/49/139158649.db2.gz OOECYLPQTYOWQG-STQMWFEESA-N 2 2 333.461 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)sc2n1 ZINC000248131959 139158650 /nfs/dbraw/zinc/15/86/50/139158650.db2.gz OOECYLPQTYOWQG-STQMWFEESA-N 2 2 333.461 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)sc2n1 ZINC000248131959 139158651 /nfs/dbraw/zinc/15/86/51/139158651.db2.gz OOECYLPQTYOWQG-STQMWFEESA-N 2 2 333.461 1.376 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000248806924 139176024 /nfs/dbraw/zinc/17/60/24/139176024.db2.gz WODRMCPNIPISDX-KBPBESRZSA-N 2 2 330.432 1.258 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000248806924 139176025 /nfs/dbraw/zinc/17/60/25/139176025.db2.gz WODRMCPNIPISDX-KBPBESRZSA-N 2 2 330.432 1.258 20 0 EDADLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093665215 218239940 /nfs/dbraw/zinc/23/99/40/218239940.db2.gz GUFUJZDTBHOKRD-INIZCTEOSA-N 2 2 341.459 1.636 20 0 EDADLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093665215 218239942 /nfs/dbraw/zinc/23/99/42/218239942.db2.gz GUFUJZDTBHOKRD-INIZCTEOSA-N 2 2 341.459 1.636 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000171675078 284788105 /nfs/dbraw/zinc/78/81/05/284788105.db2.gz LAGACATWXASFPD-WMZOPIPTSA-N 2 2 333.476 1.906 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1OC ZINC000261625149 139212338 /nfs/dbraw/zinc/21/23/38/139212338.db2.gz CMFVOLJMGJYZBY-GOSISDBHSA-N 2 2 335.448 1.333 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)c1OC ZINC000261625149 139212339 /nfs/dbraw/zinc/21/23/39/139212339.db2.gz CMFVOLJMGJYZBY-GOSISDBHSA-N 2 2 335.448 1.333 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000261617031 139211318 /nfs/dbraw/zinc/21/13/18/139211318.db2.gz FPTYLSMQSSNVQW-CHWSQXEVSA-N 2 2 341.406 1.358 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2nccn2C(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000261617031 139211319 /nfs/dbraw/zinc/21/13/19/139211319.db2.gz FPTYLSMQSSNVQW-CHWSQXEVSA-N 2 2 341.406 1.358 20 0 EDADLP C[C@]1(C[NH3+])CCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000261651817 139214430 /nfs/dbraw/zinc/21/44/30/139214430.db2.gz HKIUKICCPZGZHQ-MRXNPFEDSA-N 2 2 337.493 1.348 20 0 EDADLP CN(C)c1ncc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)s1 ZINC000261714061 139219769 /nfs/dbraw/zinc/21/97/69/139219769.db2.gz KFSLZGGMWNSTOR-UHFFFAOYSA-N 2 2 347.492 1.283 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)c1 ZINC000261718505 139220230 /nfs/dbraw/zinc/22/02/30/139220230.db2.gz JEIPUQVWTFCIOA-AEFFLSMTSA-N 2 2 333.432 1.480 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)c1 ZINC000261718505 139220231 /nfs/dbraw/zinc/22/02/31/139220231.db2.gz JEIPUQVWTFCIOA-AEFFLSMTSA-N 2 2 333.432 1.480 20 0 EDADLP CC[C@@H](C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1)[NH+](CC)CC ZINC000261769976 139224453 /nfs/dbraw/zinc/22/44/53/139224453.db2.gz PEAOVAKISXRPMI-HNNXBMFYSA-N 2 2 348.495 1.208 20 0 EDADLP c1cc(-c2noc([C@H]3C[NH2+]CCO3)n2)ccc1C[NH+]1CCOCC1 ZINC000261772931 139224841 /nfs/dbraw/zinc/22/48/41/139224841.db2.gz NFQILQZQVGEVRN-OAHLLOKOSA-N 2 2 330.388 1.230 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000261805409 139227519 /nfs/dbraw/zinc/22/75/19/139227519.db2.gz GAYVWNOKPBKZLK-INIZCTEOSA-N 2 2 341.459 1.368 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)O1 ZINC000261832345 139229973 /nfs/dbraw/zinc/22/99/73/139229973.db2.gz IIBWUPSTZGGEMQ-KKBFJZEXSA-N 2 2 347.459 1.741 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)O1 ZINC000261832345 139229974 /nfs/dbraw/zinc/22/99/74/139229974.db2.gz IIBWUPSTZGGEMQ-KKBFJZEXSA-N 2 2 347.459 1.741 20 0 EDADLP [NH3+][C@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CCOCC1 ZINC000261991308 139242366 /nfs/dbraw/zinc/24/23/66/139242366.db2.gz MVVHNXZOSRBQMT-SFHVURJKSA-N 2 2 342.443 1.344 20 0 EDADLP COCCCn1nccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000338925569 183826832 /nfs/dbraw/zinc/82/68/32/183826832.db2.gz KYWXYTMRLJFTQN-UHFFFAOYSA-N 2 2 335.496 1.133 20 0 EDADLP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000262171521 139257065 /nfs/dbraw/zinc/25/70/65/139257065.db2.gz VFZXVHMKZIMYOE-FVQBIDKESA-N 2 2 340.851 1.568 20 0 EDADLP C[C@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)[NH+]1CCOCC1 ZINC000417008271 251128923 /nfs/dbraw/zinc/12/89/23/251128923.db2.gz LZMDBCQBMMUIBF-OAHLLOKOSA-N 2 2 326.485 1.258 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2CC[C@H](C[NH3+])C2)[NH+]2CCOCC2)c1 ZINC000416993618 251122018 /nfs/dbraw/zinc/12/20/18/251122018.db2.gz IUAHZNBMBAKYQA-AEFFLSMTSA-N 2 2 346.475 1.359 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000417004530 251126797 /nfs/dbraw/zinc/12/67/97/251126797.db2.gz CNMAUCCFRMDSSX-UHFFFAOYSA-N 2 2 331.464 1.821 20 0 EDADLP CCC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC1(C)C ZINC000417311032 251154599 /nfs/dbraw/zinc/15/45/99/251154599.db2.gz NGRNGNMTDBSSQS-ULQDDVLXSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000417519641 251182659 /nfs/dbraw/zinc/18/26/59/251182659.db2.gz MVWDZEREJLULIH-RRFJBIMHSA-N 2 2 334.464 1.615 20 0 EDADLP COCC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC[NH2+]CC1 ZINC000262398452 139276169 /nfs/dbraw/zinc/27/61/69/139276169.db2.gz QSWXQNHVPORZHH-UHFFFAOYSA-N 2 2 332.379 1.966 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000417770025 251263066 /nfs/dbraw/zinc/26/30/66/251263066.db2.gz FAMVMCDEJYUVGV-KBPBESRZSA-N 2 2 349.483 1.304 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000417770025 251263068 /nfs/dbraw/zinc/26/30/68/251263068.db2.gz FAMVMCDEJYUVGV-KBPBESRZSA-N 2 2 349.483 1.304 20 0 EDADLP C[C@H]1C[N@@H+]([C@H](CNC(=O)N2CC[C@H]([NH3+])C2)c2cccs2)CCO1 ZINC000417839465 251293404 /nfs/dbraw/zinc/29/34/04/251293404.db2.gz WOEVDZAXOIHUEO-MELADBBJSA-N 2 2 338.477 1.253 20 0 EDADLP C[C@H]1C[N@H+]([C@H](CNC(=O)N2CC[C@H]([NH3+])C2)c2cccs2)CCO1 ZINC000417839465 251293406 /nfs/dbraw/zinc/29/34/06/251293406.db2.gz WOEVDZAXOIHUEO-MELADBBJSA-N 2 2 338.477 1.253 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000417944575 251317347 /nfs/dbraw/zinc/31/73/47/251317347.db2.gz CMOYQQDUYUHIHX-NILFDRSVSA-N 2 2 340.855 1.358 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000417944575 251317351 /nfs/dbraw/zinc/31/73/51/251317351.db2.gz CMOYQQDUYUHIHX-NILFDRSVSA-N 2 2 340.855 1.358 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000418475326 251373532 /nfs/dbraw/zinc/37/35/32/251373532.db2.gz YZEPGCYDRJTGAV-SMDDNHRTSA-N 2 2 326.391 1.750 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000418719321 251396754 /nfs/dbraw/zinc/39/67/54/251396754.db2.gz FEPNWZURRKVYKP-KGLIPLIRSA-N 2 2 330.423 1.501 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000418736726 251402991 /nfs/dbraw/zinc/40/29/91/251402991.db2.gz UVNPWJYVCLQLNU-AEFFLSMTSA-N 2 2 348.491 1.656 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000418533543 251377289 /nfs/dbraw/zinc/37/72/89/251377289.db2.gz VMHFBNUGPAMQKM-DLBZAZTESA-N 2 2 348.491 1.656 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000262685321 139296315 /nfs/dbraw/zinc/29/63/15/139296315.db2.gz XOAFAWFPMFTHMI-GOSISDBHSA-N 2 2 340.427 1.543 20 0 EDADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](CCc2cccs2)CC1 ZINC000262894969 139311057 /nfs/dbraw/zinc/31/10/57/139311057.db2.gz CYOPRWBVFRJVMJ-CYBMUJFWSA-N 2 2 329.416 1.432 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@H]1CCC[NH2+]1 ZINC000422896533 252015028 /nfs/dbraw/zinc/01/50/28/252015028.db2.gz AIUXNIWJMGJRFI-FHLIZLRMSA-N 2 2 331.460 1.826 20 0 EDADLP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CC[NH2+]C1 ZINC000422906286 252017941 /nfs/dbraw/zinc/01/79/41/252017941.db2.gz JLXXCDFJIIMKOV-ZDUSSCGKSA-N 2 2 340.265 1.749 20 0 EDADLP Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)n1 ZINC000423153363 252039231 /nfs/dbraw/zinc/03/92/31/252039231.db2.gz NGPJTVFVPYPULG-ZKYQVNSYSA-N 2 2 343.269 1.429 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)CC2)cc[nH+]1 ZINC000423783627 252071780 /nfs/dbraw/zinc/07/17/80/252071780.db2.gz OBNOPJVQNPLRDE-KDOFPFPSSA-N 2 2 339.443 1.770 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1cn2cc(Br)ccc2[nH+]1)C1CCC1 ZINC000423354250 252051332 /nfs/dbraw/zinc/05/13/32/252051332.db2.gz MYPGLKMWTZBYFI-CYBMUJFWSA-N 2 2 337.221 1.840 20 0 EDADLP C[C@H]([NH3+])CCC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423773323 252069357 /nfs/dbraw/zinc/06/93/57/252069357.db2.gz LPXMPJOKHSXESE-INIZCTEOSA-N 2 2 341.459 1.644 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)C(=O)NCC(F)(F)C[NH3+])ccc1Cl ZINC000415603383 304237174 /nfs/dbraw/zinc/23/71/74/304237174.db2.gz CXJPFBQBBVPJFP-UHFFFAOYSA-N 2 2 348.781 1.050 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000423856866 252093404 /nfs/dbraw/zinc/09/34/04/252093404.db2.gz ZZZYJJFDYSTBMV-LJQANCHMSA-N 2 2 344.459 1.289 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]([NH3+])COC)[C@H](C)C1 ZINC000423864819 252095909 /nfs/dbraw/zinc/09/59/09/252095909.db2.gz ZQXLPSDIMSGKHX-GDBMZVCRSA-N 2 2 335.448 1.092 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]([NH3+])COC)[C@H](C)C1 ZINC000423864819 252095912 /nfs/dbraw/zinc/09/59/12/252095912.db2.gz ZQXLPSDIMSGKHX-GDBMZVCRSA-N 2 2 335.448 1.092 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423932182 252105982 /nfs/dbraw/zinc/10/59/82/252105982.db2.gz RUXLGXWISWHOGH-KKUMJFAQSA-N 2 2 332.448 1.515 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)cc[nH+]1 ZINC000423786583 252073865 /nfs/dbraw/zinc/07/38/65/252073865.db2.gz UENZSOUKEROHRA-MRXNPFEDSA-N 2 2 325.416 1.176 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000423790599 252076218 /nfs/dbraw/zinc/07/62/18/252076218.db2.gz UHKDWWMRFOBGBS-JONQDZQNSA-N 2 2 337.464 1.003 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424132488 252136270 /nfs/dbraw/zinc/13/62/70/252136270.db2.gz KSDLMTDYWGPEKX-HNNXBMFYSA-N 2 2 337.387 1.641 20 0 EDADLP COc1ccn2c(c1)ncc2C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000424704194 252262875 /nfs/dbraw/zinc/26/28/75/252262875.db2.gz LUQYEKWXOHNGDN-UHFFFAOYSA-N 2 2 345.447 1.099 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415657199 304249568 /nfs/dbraw/zinc/24/95/68/304249568.db2.gz JUTWCARIBHMDPH-UHFFFAOYSA-N 2 2 342.399 1.406 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000155323244 533087331 /nfs/dbraw/zinc/08/73/31/533087331.db2.gz DKDSYKFVIWONEE-UHFFFAOYSA-N 2 2 334.420 1.454 20 0 EDADLP C[C@H]1C[C@H]1[N@@H+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H](C)C1 ZINC000488743919 255051927 /nfs/dbraw/zinc/05/19/27/255051927.db2.gz IYQGRBXZQWYFLR-HRCADAONSA-N 2 2 331.464 1.480 20 0 EDADLP C[C@H]1C[C@H]1[N@H+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H](C)C1 ZINC000488743919 255051928 /nfs/dbraw/zinc/05/19/28/255051928.db2.gz IYQGRBXZQWYFLR-HRCADAONSA-N 2 2 331.464 1.480 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000489908545 255073911 /nfs/dbraw/zinc/07/39/11/255073911.db2.gz FVZIAAGJEPEXHQ-ZBFHGGJFSA-N 2 2 344.450 1.699 20 0 EDADLP C[NH+](C)C/C=C/C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000491852504 255152532 /nfs/dbraw/zinc/15/25/32/255152532.db2.gz TZFYDQYZEOPOJY-FNORWQNLSA-N 2 2 327.432 1.096 20 0 EDADLP CN(C)c1cc(NC(=O)/C=C\C[NH+](C)C)[nH+]cc1Br ZINC000493250212 255199573 /nfs/dbraw/zinc/19/95/73/255199573.db2.gz HRVKZLLWGKOTIS-WAYWQWQTSA-N 2 2 327.226 1.966 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCCC2)CCO1 ZINC000494688330 255257973 /nfs/dbraw/zinc/25/79/73/255257973.db2.gz HNIQODIBCXAUEW-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCCC2)CCO1 ZINC000494688330 255257974 /nfs/dbraw/zinc/25/79/74/255257974.db2.gz HNIQODIBCXAUEW-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CCCC2)CCO1 ZINC000494859497 255263396 /nfs/dbraw/zinc/26/33/96/255263396.db2.gz OOKQZNDVPGINKW-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CCCC2)CCO1 ZINC000494859497 255263397 /nfs/dbraw/zinc/26/33/97/255263397.db2.gz OOKQZNDVPGINKW-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000494859497 255263398 /nfs/dbraw/zinc/26/33/98/255263398.db2.gz OOKQZNDVPGINKW-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000494859497 255263399 /nfs/dbraw/zinc/26/33/99/255263399.db2.gz OOKQZNDVPGINKW-MRXNPFEDSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC000494897358 255264296 /nfs/dbraw/zinc/26/42/96/255264296.db2.gz JIWDISUVZWHTNZ-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000494897358 255264297 /nfs/dbraw/zinc/26/42/97/255264297.db2.gz JIWDISUVZWHTNZ-QGZVFWFLSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496216520 255365715 /nfs/dbraw/zinc/36/57/15/255365715.db2.gz GTUBTHDPUBLWLP-JQHSSLGASA-N 2 2 347.459 1.754 20 0 EDADLP CCCn1cc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000116913324 221011452 /nfs/dbraw/zinc/01/14/52/221011452.db2.gz WICRTLPEDSLRQQ-IBGZPJMESA-N 2 2 328.460 1.802 20 0 EDADLP CCCn1cc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000116913324 221011454 /nfs/dbraw/zinc/01/14/54/221011454.db2.gz WICRTLPEDSLRQQ-IBGZPJMESA-N 2 2 328.460 1.802 20 0 EDADLP CC[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000117342689 221054900 /nfs/dbraw/zinc/05/49/00/221054900.db2.gz BWUGNNHEABLSGI-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CC[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000117342689 221054903 /nfs/dbraw/zinc/05/49/03/221054903.db2.gz BWUGNNHEABLSGI-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3cc(C)cc(C)c3)C2)CC1 ZINC000118834906 221192361 /nfs/dbraw/zinc/19/23/61/221192361.db2.gz GZPJTRMVHCEEMN-LJQANCHMSA-N 2 2 344.503 1.954 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3cc(C)cc(C)c3)C2)CC1 ZINC000118834906 221192362 /nfs/dbraw/zinc/19/23/62/221192362.db2.gz GZPJTRMVHCEEMN-LJQANCHMSA-N 2 2 344.503 1.954 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCn1cc[nH+]c1 ZINC000119315829 221293481 /nfs/dbraw/zinc/29/34/81/221293481.db2.gz ROJFJMJAAJXGBX-UHFFFAOYSA-N 2 2 330.392 1.245 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000119771632 221397885 /nfs/dbraw/zinc/39/78/85/221397885.db2.gz MZLBSMAREFKXBY-UHFFFAOYSA-N 2 2 343.431 1.387 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000570725504 306549398 /nfs/dbraw/zinc/54/93/98/306549398.db2.gz UGXIGCXXMNDVGP-AEFFLSMTSA-N 2 2 330.476 1.313 20 0 EDADLP CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](O)C(F)(F)F ZINC000270774147 140166430 /nfs/dbraw/zinc/16/64/30/140166430.db2.gz ATEUSOSSOSBMSF-OLZOCXBDSA-N 2 2 347.385 1.020 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271058568 140228592 /nfs/dbraw/zinc/22/85/92/140228592.db2.gz VJZKLPLQYZEYCY-UHFFFAOYSA-N 2 2 342.443 1.852 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271745223 140343121 /nfs/dbraw/zinc/34/31/21/140343121.db2.gz DLKHLYUYCAMVCP-UHFFFAOYSA-N 2 2 342.447 1.873 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000271766604 140346706 /nfs/dbraw/zinc/34/67/06/140346706.db2.gz DIVHUTMQZKJVTQ-UHFFFAOYSA-N 2 2 334.416 1.923 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331869179 141091656 /nfs/dbraw/zinc/09/16/56/141091656.db2.gz GSZOYEDFIVTJGD-OAGGEKHMSA-N 2 2 333.480 1.626 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc(C)[nH+]1 ZINC000332083023 141119429 /nfs/dbraw/zinc/11/94/29/141119429.db2.gz BAEONCLQPFGSER-GOEBONIOSA-N 2 2 330.432 1.010 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc(C)[nH+]1 ZINC000332083023 141119431 /nfs/dbraw/zinc/11/94/31/141119431.db2.gz BAEONCLQPFGSER-GOEBONIOSA-N 2 2 330.432 1.010 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1CCOC ZINC000332335772 141164526 /nfs/dbraw/zinc/16/45/26/141164526.db2.gz QZJWFPPOSUJYJT-MRXNPFEDSA-N 2 2 349.479 1.472 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@H+]1CCOC ZINC000332335772 141164527 /nfs/dbraw/zinc/16/45/27/141164527.db2.gz QZJWFPPOSUJYJT-MRXNPFEDSA-N 2 2 349.479 1.472 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000332527011 141196547 /nfs/dbraw/zinc/19/65/47/141196547.db2.gz NXNGMYZRZJHAON-PVAVHDDUSA-N 2 2 331.464 1.740 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1C ZINC000332563749 141204051 /nfs/dbraw/zinc/20/40/51/141204051.db2.gz YFGZRYFIHBMYNP-WBVHZDCISA-N 2 2 331.464 1.392 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1C ZINC000332563749 141204052 /nfs/dbraw/zinc/20/40/52/141204052.db2.gz YFGZRYFIHBMYNP-WBVHZDCISA-N 2 2 331.464 1.392 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333094909 141262949 /nfs/dbraw/zinc/26/29/49/141262949.db2.gz CYHAYCFZLJJKFH-GXTWGEPZSA-N 2 2 333.436 1.489 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)NCc2cn3c([nH+]2)CCCC3)CC1(C)C ZINC000333304975 141295972 /nfs/dbraw/zinc/29/59/72/141295972.db2.gz MYYROGSVHNOQPS-UHFFFAOYSA-N 2 2 348.495 1.045 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)NCc2cn3c([nH+]2)CCCC3)CC1(C)C ZINC000333304975 141295973 /nfs/dbraw/zinc/29/59/73/141295973.db2.gz MYYROGSVHNOQPS-UHFFFAOYSA-N 2 2 348.495 1.045 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000333661360 141352111 /nfs/dbraw/zinc/35/21/11/141352111.db2.gz XBHVBLYXXLXMJM-KCXAZCMYSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000333661360 141352112 /nfs/dbraw/zinc/35/21/12/141352112.db2.gz XBHVBLYXXLXMJM-KCXAZCMYSA-N 2 2 338.402 1.761 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333742774 141370919 /nfs/dbraw/zinc/37/09/19/141370919.db2.gz XUYGGAQDJQRNPX-WBVHZDCISA-N 2 2 331.464 1.612 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000333852301 141394580 /nfs/dbraw/zinc/39/45/80/141394580.db2.gz QGBYZGZWVJHBPW-INIZCTEOSA-N 2 2 331.464 1.846 20 0 EDADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000333868114 141397692 /nfs/dbraw/zinc/39/76/92/141397692.db2.gz BFDRDZZDQRSULR-OKZBNKHCSA-N 2 2 343.475 1.297 20 0 EDADLP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H]1CCC[NH2+]C1 ZINC000339407912 142040101 /nfs/dbraw/zinc/04/01/01/142040101.db2.gz QHJSPUHQJMZQLK-HNNXBMFYSA-N 2 2 340.489 1.790 20 0 EDADLP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H]1CCC[NH2+]C1 ZINC000339407912 142040103 /nfs/dbraw/zinc/04/01/03/142040103.db2.gz QHJSPUHQJMZQLK-HNNXBMFYSA-N 2 2 340.489 1.790 20 0 EDADLP C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H]1CCC[NH2+]C1 ZINC000339407544 142040106 /nfs/dbraw/zinc/04/01/06/142040106.db2.gz OXQAKNGHGULDQZ-OAHLLOKOSA-N 2 2 340.489 1.790 20 0 EDADLP C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H]1CCC[NH2+]C1 ZINC000339407544 142040108 /nfs/dbraw/zinc/04/01/08/142040108.db2.gz OXQAKNGHGULDQZ-OAHLLOKOSA-N 2 2 340.489 1.790 20 0 EDADLP Cc1[nH+]cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1C ZINC000339733814 142137698 /nfs/dbraw/zinc/13/76/98/142137698.db2.gz LFDUVTGFINDTGR-UHFFFAOYSA-N 2 2 334.464 1.651 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000340115131 142269960 /nfs/dbraw/zinc/26/99/60/142269960.db2.gz ZPARLJSCECBMCN-OTWHNJEPSA-N 2 2 345.487 1.421 20 0 EDADLP Cc1nccc(CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000340302321 142335071 /nfs/dbraw/zinc/33/50/71/142335071.db2.gz ZMYWHDBQQFVJBE-UHFFFAOYSA-N 2 2 333.480 1.202 20 0 EDADLP Cc1nccc(CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000340302321 142335072 /nfs/dbraw/zinc/33/50/72/142335072.db2.gz ZMYWHDBQQFVJBE-UHFFFAOYSA-N 2 2 333.480 1.202 20 0 EDADLP COC(=O)c1occc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000344964477 143031901 /nfs/dbraw/zinc/03/19/01/143031901.db2.gz FRPJSZOJRVKNTR-BBRMVZONSA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1occc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000344964477 143031902 /nfs/dbraw/zinc/03/19/02/143031902.db2.gz FRPJSZOJRVKNTR-BBRMVZONSA-N 2 2 346.431 1.972 20 0 EDADLP Cc1c(C[N@@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cnn1C ZINC000345029838 143041379 /nfs/dbraw/zinc/04/13/79/143041379.db2.gz KCGULPPMRJENSQ-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[N@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cnn1C ZINC000345029838 143041380 /nfs/dbraw/zinc/04/13/80/143041380.db2.gz KCGULPPMRJENSQ-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[NH+](C)C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cnn1C ZINC000345029838 143041381 /nfs/dbraw/zinc/04/13/81/143041381.db2.gz KCGULPPMRJENSQ-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[NH+](C)C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cnn1C ZINC000345029838 143041382 /nfs/dbraw/zinc/04/13/82/143041382.db2.gz KCGULPPMRJENSQ-CRAIPNDOSA-N 2 2 330.480 1.977 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000345164204 143059930 /nfs/dbraw/zinc/05/99/30/143059930.db2.gz LHJDRHKGGSQBSL-UHFFFAOYSA-N 2 2 330.885 1.686 20 0 EDADLP C[C@@H](C[NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000345399802 143086617 /nfs/dbraw/zinc/08/66/17/143086617.db2.gz ZITNDCJNLRDPSO-KRWDZBQOSA-N 2 2 337.483 1.909 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000345531072 143102526 /nfs/dbraw/zinc/10/25/26/143102526.db2.gz YLRJAZMGLAROBV-INIZCTEOSA-N 2 2 342.443 1.709 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000345709747 143124038 /nfs/dbraw/zinc/12/40/38/143124038.db2.gz GGNATKNZPYAYLU-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000345709747 143124039 /nfs/dbraw/zinc/12/40/39/143124039.db2.gz GGNATKNZPYAYLU-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000345709747 143124040 /nfs/dbraw/zinc/12/40/40/143124040.db2.gz GGNATKNZPYAYLU-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000345709747 143124041 /nfs/dbraw/zinc/12/40/41/143124041.db2.gz GGNATKNZPYAYLU-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346039361 143160474 /nfs/dbraw/zinc/16/04/74/143160474.db2.gz MQEAKLSXJUKSBZ-KRWDZBQOSA-N 2 2 333.432 1.564 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000346126890 143170338 /nfs/dbraw/zinc/17/03/38/143170338.db2.gz BVGSXAXJODDJQR-AWEZNQCLSA-N 2 2 343.431 1.592 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000346179109 143175745 /nfs/dbraw/zinc/17/57/45/143175745.db2.gz GPXVSEWJFCMFRK-WMZOPIPTSA-N 2 2 330.476 1.138 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000346179109 143175746 /nfs/dbraw/zinc/17/57/46/143175746.db2.gz GPXVSEWJFCMFRK-WMZOPIPTSA-N 2 2 330.476 1.138 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000346315804 143190841 /nfs/dbraw/zinc/19/08/41/143190841.db2.gz IUHCRAXYPNAIOK-GPMSIDNRSA-N 2 2 328.460 1.708 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000346315804 143190842 /nfs/dbraw/zinc/19/08/42/143190842.db2.gz IUHCRAXYPNAIOK-GPMSIDNRSA-N 2 2 328.460 1.708 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000346417894 143202683 /nfs/dbraw/zinc/20/26/83/143202683.db2.gz WDROJFDTOONEIV-UHFFFAOYSA-N 2 2 342.312 1.756 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346646334 143225886 /nfs/dbraw/zinc/22/58/86/143225886.db2.gz CFROKLDNVXENKR-BRWVUGGUSA-N 2 2 346.475 1.333 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)CC[N@@H+]1C ZINC000346685277 143231548 /nfs/dbraw/zinc/23/15/48/143231548.db2.gz XWLDNGQJQKXMCV-BBWFWOEESA-N 2 2 330.476 1.953 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)CC[N@H+]1C ZINC000346685277 143231549 /nfs/dbraw/zinc/23/15/49/143231549.db2.gz XWLDNGQJQKXMCV-BBWFWOEESA-N 2 2 330.476 1.953 20 0 EDADLP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000346827266 143249484 /nfs/dbraw/zinc/24/94/84/143249484.db2.gz HZDIJCJQTCKHDH-JLJPHGGASA-N 2 2 336.432 1.565 20 0 EDADLP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000346827266 143249485 /nfs/dbraw/zinc/24/94/85/143249485.db2.gz HZDIJCJQTCKHDH-JLJPHGGASA-N 2 2 336.432 1.565 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2ccc(OCc3noc(C)n3)cc2)[C@@H](C[NH3+])C1 ZINC000346835556 143250161 /nfs/dbraw/zinc/25/01/61/143250161.db2.gz TXXUGZRXBJZQST-WBVHZDCISA-N 2 2 346.431 1.895 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2ccc(OCc3noc(C)n3)cc2)[C@@H](C[NH3+])C1 ZINC000346835556 143250162 /nfs/dbraw/zinc/25/01/62/143250162.db2.gz TXXUGZRXBJZQST-WBVHZDCISA-N 2 2 346.431 1.895 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CCCN2CCOCC2)CCC[NH+]1C ZINC000346924076 143261799 /nfs/dbraw/zinc/26/17/99/143261799.db2.gz LRUCXDODMJMCFZ-PKOBYXMFSA-N 2 2 349.523 1.457 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CCCN2CCOCC2)CCC[NH+]1C ZINC000346924076 143261800 /nfs/dbraw/zinc/26/18/00/143261800.db2.gz LRUCXDODMJMCFZ-PKOBYXMFSA-N 2 2 349.523 1.457 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CCCN2CCOCC2)CCC[N@@H+]1C ZINC000346924076 143261801 /nfs/dbraw/zinc/26/18/01/143261801.db2.gz LRUCXDODMJMCFZ-PKOBYXMFSA-N 2 2 349.523 1.457 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CCCN2CCOCC2)CCC[N@H+]1C ZINC000346924076 143261802 /nfs/dbraw/zinc/26/18/02/143261802.db2.gz LRUCXDODMJMCFZ-PKOBYXMFSA-N 2 2 349.523 1.457 20 0 EDADLP COc1ccncc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000346984387 143268494 /nfs/dbraw/zinc/26/84/94/143268494.db2.gz CKNRPZLTYRUEAD-UHFFFAOYSA-N 2 2 328.420 1.268 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000347641848 143344552 /nfs/dbraw/zinc/34/45/52/143344552.db2.gz ZRYIMMTXVIJRLR-MRXNPFEDSA-N 2 2 339.867 1.846 20 0 EDADLP CO[C@@H]1COCC[C@@H]1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000573358312 306619342 /nfs/dbraw/zinc/61/93/42/306619342.db2.gz HFOBMVPZIBDPJS-GPMSIDNRSA-N 2 2 347.459 1.655 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416894811 304353884 /nfs/dbraw/zinc/35/38/84/304353884.db2.gz RKVPZKZDNJFMDT-WMZOPIPTSA-N 2 2 346.475 1.359 20 0 EDADLP CCN1CC[N@H+](CCOCCN2CC[NH+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000352657364 149103187 /nfs/dbraw/zinc/10/31/87/149103187.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[N@@H+](CCOCCN2CC[NH+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000352657364 149103190 /nfs/dbraw/zinc/10/31/90/149103190.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[NH+](CCOCCN2CC[N@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000352657364 149103192 /nfs/dbraw/zinc/10/31/92/149103192.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[NH+](CCOCCN2CC[N@@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000352657364 149103194 /nfs/dbraw/zinc/10/31/94/149103194.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[N@H+](CCOCCN2CC[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000352657364 149103196 /nfs/dbraw/zinc/10/31/96/149103196.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[N@@H+](CCOCCN2CC[NH+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000352657364 149103198 /nfs/dbraw/zinc/10/31/98/149103198.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[NH+](CCOCCN2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000352657364 149103202 /nfs/dbraw/zinc/10/32/02/149103202.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCN1CC[NH+](CCOCCN2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000352657364 149103203 /nfs/dbraw/zinc/10/32/03/149103203.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 2 326.529 1.055 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000352822638 149181183 /nfs/dbraw/zinc/18/11/83/149181183.db2.gz YVDXPKHIIJOYPN-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416902150 304354965 /nfs/dbraw/zinc/35/49/65/304354965.db2.gz BIZKEMGSQZFPGI-HUUCEWRRSA-N 2 2 333.411 1.931 20 0 EDADLP COCCOc1ccccc1C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000353258302 149342818 /nfs/dbraw/zinc/34/28/18/149342818.db2.gz LWUWDOJDOYHIQX-INIZCTEOSA-N 2 2 336.476 1.989 20 0 EDADLP COCCOc1ccccc1C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000353258302 149342821 /nfs/dbraw/zinc/34/28/21/149342821.db2.gz LWUWDOJDOYHIQX-INIZCTEOSA-N 2 2 336.476 1.989 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000353342746 149373186 /nfs/dbraw/zinc/37/31/86/149373186.db2.gz XPLBFWBRCMXWLO-MAUKXSAKSA-N 2 2 347.459 1.739 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000353342746 149373189 /nfs/dbraw/zinc/37/31/89/149373189.db2.gz XPLBFWBRCMXWLO-MAUKXSAKSA-N 2 2 347.459 1.739 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000573547637 306623485 /nfs/dbraw/zinc/62/34/85/306623485.db2.gz AKXVHSAULMSYLT-NXHRZFHOSA-N 2 2 346.475 1.439 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000369927550 155239100 /nfs/dbraw/zinc/23/91/00/155239100.db2.gz NFAUXMPCOIZFNF-QGZVFWFLSA-N 2 2 331.460 1.488 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000369927550 155239103 /nfs/dbraw/zinc/23/91/03/155239103.db2.gz NFAUXMPCOIZFNF-QGZVFWFLSA-N 2 2 331.460 1.488 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000369927550 155239105 /nfs/dbraw/zinc/23/91/05/155239105.db2.gz NFAUXMPCOIZFNF-QGZVFWFLSA-N 2 2 331.460 1.488 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000369927550 155239110 /nfs/dbraw/zinc/23/91/10/155239110.db2.gz NFAUXMPCOIZFNF-QGZVFWFLSA-N 2 2 331.460 1.488 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369956242 155252843 /nfs/dbraw/zinc/25/28/43/155252843.db2.gz AAMLIDIXIPGDTG-LUKYLMHMSA-N 2 2 341.496 1.007 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369956242 155252847 /nfs/dbraw/zinc/25/28/47/155252847.db2.gz AAMLIDIXIPGDTG-LUKYLMHMSA-N 2 2 341.496 1.007 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000354870315 150003973 /nfs/dbraw/zinc/00/39/73/150003973.db2.gz UAQCINJYUJYRIG-IAGOWNOFSA-N 2 2 341.496 1.103 20 0 EDADLP CN(C)[C@@H](C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1)c1c[nH+]cn1C ZINC000354886752 150012403 /nfs/dbraw/zinc/01/24/03/150012403.db2.gz POZWGKKVQXZBCJ-QGZVFWFLSA-N 2 2 347.507 1.817 20 0 EDADLP CN(C)[C@@H](C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)c1c[nH+]cn1C ZINC000354886752 150012406 /nfs/dbraw/zinc/01/24/06/150012406.db2.gz POZWGKKVQXZBCJ-QGZVFWFLSA-N 2 2 347.507 1.817 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000354917444 150029894 /nfs/dbraw/zinc/02/98/94/150029894.db2.gz JYQGOXHIVUGBAT-GOSISDBHSA-N 2 2 337.508 1.964 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000354917444 150029899 /nfs/dbraw/zinc/02/98/99/150029899.db2.gz JYQGOXHIVUGBAT-GOSISDBHSA-N 2 2 337.508 1.964 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccc(F)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355031450 150083572 /nfs/dbraw/zinc/08/35/72/150083572.db2.gz NIWFHFUQFPLILV-HNNXBMFYSA-N 2 2 348.466 1.865 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccc(F)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355031450 150083575 /nfs/dbraw/zinc/08/35/75/150083575.db2.gz NIWFHFUQFPLILV-HNNXBMFYSA-N 2 2 348.466 1.865 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH+]2CC(n3ccnn3)C2)CC1 ZINC000355051528 150093644 /nfs/dbraw/zinc/09/36/44/150093644.db2.gz NBERPHZOGXXIGU-UHFFFAOYSA-N 2 2 326.448 1.477 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[N@H+](C)Cc1ccccc1 ZINC000355192192 150159725 /nfs/dbraw/zinc/15/97/25/150159725.db2.gz UBMLWMCSLGMMFV-MSOLQXFVSA-N 2 2 330.476 1.013 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[N@@H+](C)Cc1ccccc1 ZINC000355192192 150159727 /nfs/dbraw/zinc/15/97/27/150159727.db2.gz UBMLWMCSLGMMFV-MSOLQXFVSA-N 2 2 330.476 1.013 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417028626 304362032 /nfs/dbraw/zinc/36/20/32/304362032.db2.gz CXPHSACFEMCOBS-SJLPKXTDSA-N 2 2 348.491 1.877 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000355481679 150286370 /nfs/dbraw/zinc/28/63/70/150286370.db2.gz OLDMOLHYYGSLKB-OAHLLOKOSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000355481679 150286373 /nfs/dbraw/zinc/28/63/73/150286373.db2.gz OLDMOLHYYGSLKB-OAHLLOKOSA-N 2 2 331.464 1.786 20 0 EDADLP CCc1c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccn1C ZINC000355537124 150306710 /nfs/dbraw/zinc/30/67/10/150306710.db2.gz YJAYNLRLVSVXCE-HNNXBMFYSA-N 2 2 332.492 1.828 20 0 EDADLP CCc1c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccn1C ZINC000355537124 150306712 /nfs/dbraw/zinc/30/67/12/150306712.db2.gz YJAYNLRLVSVXCE-HNNXBMFYSA-N 2 2 332.492 1.828 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000355577289 150321570 /nfs/dbraw/zinc/32/15/70/150321570.db2.gz QXFLTCGEOFNWSR-QZTJIDSGSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000355577289 150321573 /nfs/dbraw/zinc/32/15/73/150321573.db2.gz QXFLTCGEOFNWSR-QZTJIDSGSA-N 2 2 345.487 1.596 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)no1 ZINC000355695625 150363365 /nfs/dbraw/zinc/36/33/65/150363365.db2.gz JTHABJUAONENJK-UHFFFAOYSA-N 2 2 342.443 1.737 20 0 EDADLP CCOc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357648443 151100850 /nfs/dbraw/zinc/10/08/50/151100850.db2.gz LZACBQYIMSTUGZ-UHFFFAOYSA-N 2 2 335.448 1.412 20 0 EDADLP CCOc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357648443 151100852 /nfs/dbraw/zinc/10/08/52/151100852.db2.gz LZACBQYIMSTUGZ-UHFFFAOYSA-N 2 2 335.448 1.412 20 0 EDADLP CC[N@H+](C)CCNC(=O)c1c2ccccc2nc2c1C[NH+](C)CC2 ZINC000357649231 151101711 /nfs/dbraw/zinc/10/17/11/151101711.db2.gz BSSHVOCHZVYIBW-UHFFFAOYSA-N 2 2 326.444 1.904 20 0 EDADLP CC[N@@H+](C)CCNC(=O)c1c2ccccc2nc2c1C[NH+](C)CC2 ZINC000357649231 151101713 /nfs/dbraw/zinc/10/17/13/151101713.db2.gz BSSHVOCHZVYIBW-UHFFFAOYSA-N 2 2 326.444 1.904 20 0 EDADLP CC[NH+](C)CCNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000357649231 151101715 /nfs/dbraw/zinc/10/17/15/151101715.db2.gz BSSHVOCHZVYIBW-UHFFFAOYSA-N 2 2 326.444 1.904 20 0 EDADLP CC[NH+](C)CCNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000357649231 151101717 /nfs/dbraw/zinc/10/17/17/151101717.db2.gz BSSHVOCHZVYIBW-UHFFFAOYSA-N 2 2 326.444 1.904 20 0 EDADLP COc1sc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1Br ZINC000358168480 151293319 /nfs/dbraw/zinc/29/33/19/151293319.db2.gz QLFKVJXKBYVETR-LBPRGKRZSA-N 2 2 335.267 1.675 20 0 EDADLP COc1sc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000358168480 151293320 /nfs/dbraw/zinc/29/33/20/151293320.db2.gz QLFKVJXKBYVETR-LBPRGKRZSA-N 2 2 335.267 1.675 20 0 EDADLP CCOc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1OC(F)F ZINC000358172677 151295124 /nfs/dbraw/zinc/29/51/24/151295124.db2.gz UGKRTDBAUYTLTH-INIZCTEOSA-N 2 2 330.375 1.843 20 0 EDADLP CCOc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1OC(F)F ZINC000358172677 151295127 /nfs/dbraw/zinc/29/51/27/151295127.db2.gz UGKRTDBAUYTLTH-INIZCTEOSA-N 2 2 330.375 1.843 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)CC(=O)NCCc1ccccc1 ZINC000358175882 151295688 /nfs/dbraw/zinc/29/56/88/151295688.db2.gz ZUXIIAIOCINFFX-QZTJIDSGSA-N 2 2 347.503 1.824 20 0 EDADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000358173954 151296058 /nfs/dbraw/zinc/29/60/58/151296058.db2.gz WAXJIZDZEFLAKW-ZWKOTPCHSA-N 2 2 345.487 1.887 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000358228805 151313014 /nfs/dbraw/zinc/31/30/14/151313014.db2.gz VVHNNCGOFLLSBO-SFHVURJKSA-N 2 2 331.460 1.488 20 0 EDADLP O=C(N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000360551025 152091357 /nfs/dbraw/zinc/09/13/57/152091357.db2.gz RFBYTBBWNKIXRR-FUHWJXTLSA-N 2 2 347.503 1.717 20 0 EDADLP O=C(N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1([NH+]2CCOCC2)CCC1 ZINC000360551025 152091360 /nfs/dbraw/zinc/09/13/60/152091360.db2.gz RFBYTBBWNKIXRR-FUHWJXTLSA-N 2 2 347.503 1.717 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000360567070 152100167 /nfs/dbraw/zinc/10/01/67/152100167.db2.gz CLJMXVUIIITEEH-FQEVSTJZSA-N 2 2 329.488 1.956 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000360567070 152100170 /nfs/dbraw/zinc/10/01/70/152100170.db2.gz CLJMXVUIIITEEH-FQEVSTJZSA-N 2 2 329.488 1.956 20 0 EDADLP COCC1=CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000360780512 152201674 /nfs/dbraw/zinc/20/16/74/152201674.db2.gz HJPPKTJXXBCUQC-UHFFFAOYSA-N 2 2 349.500 1.671 20 0 EDADLP COCC1=CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000360780512 152201677 /nfs/dbraw/zinc/20/16/77/152201677.db2.gz HJPPKTJXXBCUQC-UHFFFAOYSA-N 2 2 349.500 1.671 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000370132113 155340945 /nfs/dbraw/zinc/34/09/45/155340945.db2.gz VJMCBXJFYUNSBD-HZPDHXFCSA-N 2 2 342.447 1.939 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000361136564 152317752 /nfs/dbraw/zinc/31/77/52/152317752.db2.gz QGPQNFZUNZZKKE-UKRRQHHQSA-N 2 2 326.437 1.335 20 0 EDADLP CCCCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000361165934 152323840 /nfs/dbraw/zinc/32/38/40/152323840.db2.gz DZPLGTLSNNNWQZ-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CCCCOCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000361165934 152323843 /nfs/dbraw/zinc/32/38/43/152323843.db2.gz DZPLGTLSNNNWQZ-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000361328735 152362771 /nfs/dbraw/zinc/36/27/71/152362771.db2.gz QCUIWHMWPHBJMT-UHFFFAOYSA-N 3 2 338.540 1.199 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)CC1 ZINC000361328735 152362772 /nfs/dbraw/zinc/36/27/72/152362772.db2.gz QCUIWHMWPHBJMT-UHFFFAOYSA-N 3 2 338.540 1.199 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(-c4ccco4)on3)C2)CC1 ZINC000364206218 153173151 /nfs/dbraw/zinc/17/31/51/153173151.db2.gz JXOSQVXUDPCHKW-ZDUSSCGKSA-N 2 2 344.415 1.833 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)cc1F ZINC000364217061 153178145 /nfs/dbraw/zinc/17/81/45/153178145.db2.gz DURLTISLMSNLNY-HNAYVOBHSA-N 2 2 347.434 1.478 20 0 EDADLP FC(F)Cn1cc(C[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cn1 ZINC000366359590 153792899 /nfs/dbraw/zinc/79/28/99/153792899.db2.gz ATBREPDLHCRGFA-LSDHHAIUSA-N 2 2 328.407 1.739 20 0 EDADLP Cc1ccccc1[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000367273266 154062191 /nfs/dbraw/zinc/06/21/91/154062191.db2.gz BMDQRQZQSAZOIT-GOSISDBHSA-N 2 2 331.460 1.532 20 0 EDADLP Cc1ccccc1[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000367273266 154062193 /nfs/dbraw/zinc/06/21/93/154062193.db2.gz BMDQRQZQSAZOIT-GOSISDBHSA-N 2 2 331.460 1.532 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000367493399 154148181 /nfs/dbraw/zinc/14/81/81/154148181.db2.gz QQGDHECXSSFAMI-UKRRQHHQSA-N 2 2 342.447 1.270 20 0 EDADLP Cn1c(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)nc2ccccc2c1=O ZINC000367690665 154232145 /nfs/dbraw/zinc/23/21/45/154232145.db2.gz VECICFFFLDDDSU-CQSZACIVSA-N 2 2 337.427 1.824 20 0 EDADLP Cn1c(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)nc2ccccc2c1=O ZINC000367690665 154232147 /nfs/dbraw/zinc/23/21/47/154232147.db2.gz VECICFFFLDDDSU-CQSZACIVSA-N 2 2 337.427 1.824 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367850210 154298693 /nfs/dbraw/zinc/29/86/93/154298693.db2.gz OWCLQOOYXATOTK-ZHALLVOQSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367850210 154298695 /nfs/dbraw/zinc/29/86/95/154298695.db2.gz OWCLQOOYXATOTK-ZHALLVOQSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367850210 154298699 /nfs/dbraw/zinc/29/86/99/154298699.db2.gz OWCLQOOYXATOTK-ZHALLVOQSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367850210 154298702 /nfs/dbraw/zinc/29/87/02/154298702.db2.gz OWCLQOOYXATOTK-ZHALLVOQSA-N 2 2 337.508 1.726 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc(C)c1O ZINC000368032476 154375342 /nfs/dbraw/zinc/37/53/42/154375342.db2.gz ZILKUTKJLRXPDU-HKUYNNGSSA-N 2 2 347.503 1.846 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc(C)c1O ZINC000368032476 154375345 /nfs/dbraw/zinc/37/53/45/154375345.db2.gz ZILKUTKJLRXPDU-HKUYNNGSSA-N 2 2 347.503 1.846 20 0 EDADLP Cc1cc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cc(C)c1O ZINC000368032476 154375350 /nfs/dbraw/zinc/37/53/50/154375350.db2.gz ZILKUTKJLRXPDU-HKUYNNGSSA-N 2 2 347.503 1.846 20 0 EDADLP Cc1cc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cc(C)c1O ZINC000368032476 154375353 /nfs/dbraw/zinc/37/53/53/154375353.db2.gz ZILKUTKJLRXPDU-HKUYNNGSSA-N 2 2 347.503 1.846 20 0 EDADLP CC(C)COCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369394810 155011915 /nfs/dbraw/zinc/01/19/15/155011915.db2.gz WFLHNFUSMZPEQX-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)COCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369394810 155011921 /nfs/dbraw/zinc/01/19/21/155011921.db2.gz WFLHNFUSMZPEQX-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000369570408 155091620 /nfs/dbraw/zinc/09/16/20/155091620.db2.gz NNUKXCGJYPLSOU-IAGOWNOFSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000369570408 155091622 /nfs/dbraw/zinc/09/16/22/155091622.db2.gz NNUKXCGJYPLSOU-IAGOWNOFSA-N 2 2 346.475 1.405 20 0 EDADLP CC(C)OC[C@@H](O)C[N@@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000371557037 156002959 /nfs/dbraw/zinc/00/29/59/156002959.db2.gz MSNCRFIPTCHKHC-KRWDZBQOSA-N 2 2 338.496 1.758 20 0 EDADLP CC(C)OC[C@@H](O)C[N@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000371557037 156002960 /nfs/dbraw/zinc/00/29/60/156002960.db2.gz MSNCRFIPTCHKHC-KRWDZBQOSA-N 2 2 338.496 1.758 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3c3cccc(O)c3)C2)CC1 ZINC000371792327 156107597 /nfs/dbraw/zinc/10/75/97/156107597.db2.gz JHAYCRUQGOUODU-SNRMKQJTSA-N 2 2 343.471 1.780 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3c3cccc(O)c3)C2)CC1 ZINC000371792327 156107601 /nfs/dbraw/zinc/10/76/01/156107601.db2.gz JHAYCRUQGOUODU-SNRMKQJTSA-N 2 2 343.471 1.780 20 0 EDADLP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000372277386 156305308 /nfs/dbraw/zinc/30/53/08/156305308.db2.gz HQECDBVGTXYMPN-OAHLLOKOSA-N 2 2 333.480 1.777 20 0 EDADLP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000372277386 156305312 /nfs/dbraw/zinc/30/53/12/156305312.db2.gz HQECDBVGTXYMPN-OAHLLOKOSA-N 2 2 333.480 1.777 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000372282997 156311854 /nfs/dbraw/zinc/31/18/54/156311854.db2.gz URSSGQQFZOMROU-UKRRQHHQSA-N 2 2 330.436 1.760 20 0 EDADLP COc1ccccc1C[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000372417678 156379135 /nfs/dbraw/zinc/37/91/35/156379135.db2.gz XEWZNDPLHZZBIT-SJLPKXTDSA-N 2 2 333.476 1.532 20 0 EDADLP COc1ccccc1C[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000372417678 156379136 /nfs/dbraw/zinc/37/91/36/156379136.db2.gz XEWZNDPLHZZBIT-SJLPKXTDSA-N 2 2 333.476 1.532 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000372417678 156379139 /nfs/dbraw/zinc/37/91/39/156379139.db2.gz XEWZNDPLHZZBIT-SJLPKXTDSA-N 2 2 333.476 1.532 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000372417678 156379141 /nfs/dbraw/zinc/37/91/41/156379141.db2.gz XEWZNDPLHZZBIT-SJLPKXTDSA-N 2 2 333.476 1.532 20 0 EDADLP Cc1ccc(NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)c(C)[nH+]1 ZINC000575072916 306664421 /nfs/dbraw/zinc/66/44/21/306664421.db2.gz VTIZLELWMQWWLT-UHFFFAOYSA-N 2 2 347.463 1.812 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CC[NH+]([C@H]4CCCCNC4=O)CC3)n2c1 ZINC000374272566 157223058 /nfs/dbraw/zinc/22/30/58/157223058.db2.gz RDLOCEGXDZTPJS-KRWDZBQOSA-N 2 2 341.459 1.429 20 0 EDADLP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000575320074 306668317 /nfs/dbraw/zinc/66/83/17/306668317.db2.gz LNINLUOERKZLRH-RDJZCZTQSA-N 2 2 342.443 1.622 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C(=O)C1 ZINC000374759923 157390714 /nfs/dbraw/zinc/39/07/14/157390714.db2.gz LAWBBVJENLULRM-QGZVFWFLSA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C(=O)C1 ZINC000374759923 157390718 /nfs/dbraw/zinc/39/07/18/157390718.db2.gz LAWBBVJENLULRM-QGZVFWFLSA-N 2 2 335.423 1.098 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376327424 157763901 /nfs/dbraw/zinc/76/39/01/157763901.db2.gz JGDAMTOVWOVMGM-DOTOQJQBSA-N 2 2 349.479 1.476 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000378051069 158065550 /nfs/dbraw/zinc/06/55/50/158065550.db2.gz TXORIGFBWUHNMZ-MSOLQXFVSA-N 2 2 333.476 1.734 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000378051069 158065551 /nfs/dbraw/zinc/06/55/51/158065551.db2.gz TXORIGFBWUHNMZ-MSOLQXFVSA-N 2 2 333.476 1.734 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000378149990 158092856 /nfs/dbraw/zinc/09/28/56/158092856.db2.gz KUMLJYNQRYEAMA-IBGZPJMESA-N 2 2 343.471 1.477 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1 ZINC000378500654 158193155 /nfs/dbraw/zinc/19/31/55/158193155.db2.gz WYGYGURTEZZLKG-AWEZNQCLSA-N 2 2 340.493 1.406 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1 ZINC000378500654 158193157 /nfs/dbraw/zinc/19/31/57/158193157.db2.gz WYGYGURTEZZLKG-AWEZNQCLSA-N 2 2 340.493 1.406 20 0 EDADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000352388202 162156577 /nfs/dbraw/zinc/15/65/77/162156577.db2.gz LNSXQSHKXAOXFG-HNNXBMFYSA-N 2 2 333.432 1.200 20 0 EDADLP CC1CCC(N(C(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C2CC2)CC1 ZINC000352511062 162222088 /nfs/dbraw/zinc/22/20/88/162222088.db2.gz QHGRECSREIXPKF-TVPLGVNVSA-N 2 2 348.535 1.536 20 0 EDADLP CCC[C@@H](NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352512146 162222210 /nfs/dbraw/zinc/22/22/10/162222210.db2.gz VZUHZUIZZSACCQ-RBUKOAKNSA-N 2 2 344.503 1.624 20 0 EDADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N[C@H]1CCCc2ccccc21 ZINC000352519767 162226259 /nfs/dbraw/zinc/22/62/59/162226259.db2.gz RLUJMUXXEHOLJT-HKUYNNGSSA-N 2 2 342.487 1.160 20 0 EDADLP O=C1[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCN1c1cccc(Cl)c1 ZINC000352527002 162231946 /nfs/dbraw/zinc/23/19/46/162231946.db2.gz VBNWWHGUKRKFAG-IRXDYDNUSA-N 2 2 348.878 1.425 20 0 EDADLP COc1ccncc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366314985 162376496 /nfs/dbraw/zinc/37/64/96/162376496.db2.gz RNHINFDFADFBAK-HNNXBMFYSA-N 3 2 347.463 1.058 20 0 EDADLP COc1ccncc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366314985 162376498 /nfs/dbraw/zinc/37/64/98/162376498.db2.gz RNHINFDFADFBAK-HNNXBMFYSA-N 3 2 347.463 1.058 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366314985 162376501 /nfs/dbraw/zinc/37/65/01/162376501.db2.gz RNHINFDFADFBAK-HNNXBMFYSA-N 3 2 347.463 1.058 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366314985 162376502 /nfs/dbraw/zinc/37/65/02/162376502.db2.gz RNHINFDFADFBAK-HNNXBMFYSA-N 3 2 347.463 1.058 20 0 EDADLP CC(C)C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000074994132 287274553 /nfs/dbraw/zinc/27/45/53/287274553.db2.gz SEWVIRWITMSTOD-MRXNPFEDSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000074994132 287274554 /nfs/dbraw/zinc/27/45/54/287274554.db2.gz SEWVIRWITMSTOD-MRXNPFEDSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000078500141 287293631 /nfs/dbraw/zinc/29/36/31/287293631.db2.gz VIWQUAAGSXJGJL-KBPBESRZSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])c[nH+]2)CCO1 ZINC000164681374 226094024 /nfs/dbraw/zinc/09/40/24/226094024.db2.gz DHQYRAKIVQYRMJ-KTHDHXGHSA-N 2 2 344.459 1.296 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C[NH2+]CC2CC2)[NH+]2CCOCC2)c1 ZINC000164896047 226102499 /nfs/dbraw/zinc/10/24/99/226102499.db2.gz HENNMBYCEOYFRK-GOSISDBHSA-N 2 2 331.460 1.484 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1n[nH]c2ccccc21 ZINC000122991736 222195961 /nfs/dbraw/zinc/19/59/61/222195961.db2.gz OVXMQLQIOIGBMP-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1n[nH]c2ccccc21 ZINC000122991736 222195965 /nfs/dbraw/zinc/19/59/65/222195965.db2.gz OVXMQLQIOIGBMP-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000123099586 222215927 /nfs/dbraw/zinc/21/59/27/222215927.db2.gz VJGSARCXAAOHED-ZWKOTPCHSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@]1(O)CCC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000124196101 222389517 /nfs/dbraw/zinc/38/95/17/222389517.db2.gz UHKANITVJBNCMB-QGZVFWFLSA-N 2 2 337.489 1.239 20 0 EDADLP C[C@@]1(O)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000124196101 222389522 /nfs/dbraw/zinc/38/95/22/222389522.db2.gz UHKANITVJBNCMB-QGZVFWFLSA-N 2 2 337.489 1.239 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000190123975 272973752 /nfs/dbraw/zinc/97/37/52/272973752.db2.gz WLZLJKDJOUAODV-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP C[C@@]1(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[NH2+]C1 ZINC000237600625 273011152 /nfs/dbraw/zinc/01/11/52/273011152.db2.gz YDEWRLSPWUOIEA-CQSZACIVSA-N 2 2 337.221 1.713 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)C[C@H]1C[NH3+] ZINC000652357066 452534960 /nfs/dbraw/zinc/53/49/60/452534960.db2.gz ZTZYLHTVNQDJIV-VXGBXAGGSA-N 2 2 325.375 1.081 20 0 EDADLP c1nc2cncc(N3CC[NH+](CCC[NH+]4CCCCC4)CC3)n2n1 ZINC000275463200 268346144 /nfs/dbraw/zinc/34/61/44/268346144.db2.gz NERKDOKEIMOTLL-UHFFFAOYSA-N 2 2 329.452 1.122 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000273114304 273029526 /nfs/dbraw/zinc/02/95/26/273029526.db2.gz YAFOYQIORNXEJB-IBGZPJMESA-N 2 2 336.476 1.920 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000273114304 273029527 /nfs/dbraw/zinc/02/95/27/273029527.db2.gz YAFOYQIORNXEJB-IBGZPJMESA-N 2 2 336.476 1.920 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCN1C ZINC000275598782 268365189 /nfs/dbraw/zinc/36/51/89/268365189.db2.gz KQUXUMQFYKCEBF-KRWDZBQOSA-N 2 2 341.459 1.611 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCN1C ZINC000275598787 268365431 /nfs/dbraw/zinc/36/54/31/268365431.db2.gz KQUXUMQFYKCEBF-QGZVFWFLSA-N 2 2 341.459 1.611 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1CC ZINC000273671676 273051455 /nfs/dbraw/zinc/05/14/55/273051455.db2.gz ZLFGEXMDICNANA-HNNXBMFYSA-N 2 2 334.464 1.721 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1CC ZINC000273671676 273051456 /nfs/dbraw/zinc/05/14/56/273051456.db2.gz ZLFGEXMDICNANA-HNNXBMFYSA-N 2 2 334.464 1.721 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)[C@@H]3CCOC3)CC2)c1 ZINC000274024583 273066271 /nfs/dbraw/zinc/06/62/71/273066271.db2.gz NEUYUEXSVKAHOL-IEBWSBKVSA-N 2 2 345.487 1.654 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)[NH+](CC)CC ZINC000275909605 273133195 /nfs/dbraw/zinc/13/31/95/273133195.db2.gz JCMYFPAQLNESFS-HZPDHXFCSA-N 2 2 333.480 1.630 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)[NH+](CC)CC ZINC000275909605 273133196 /nfs/dbraw/zinc/13/31/96/273133196.db2.gz JCMYFPAQLNESFS-HZPDHXFCSA-N 2 2 333.480 1.630 20 0 EDADLP CO[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276996118 273174896 /nfs/dbraw/zinc/17/48/96/273174896.db2.gz NSPSQRWQJOJJQJ-SJORKVTESA-N 2 2 346.475 1.668 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279435331 273297239 /nfs/dbraw/zinc/29/72/39/273297239.db2.gz MUBBHZDEIXIUBX-OAHLLOKOSA-N 2 2 342.447 1.064 20 0 EDADLP Cc1nn(C)c(C)c1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279774177 273326339 /nfs/dbraw/zinc/32/63/39/273326339.db2.gz SWRHDHDSFMZSBV-HOTGVXAUSA-N 2 2 348.470 1.815 20 0 EDADLP Cc1nn(C)c(C)c1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279774177 273326341 /nfs/dbraw/zinc/32/63/41/273326341.db2.gz SWRHDHDSFMZSBV-HOTGVXAUSA-N 2 2 348.470 1.815 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279823062 273330506 /nfs/dbraw/zinc/33/05/06/273330506.db2.gz YIOGOJCRTFQPGS-KKUMJFAQSA-N 2 2 332.427 1.816 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279823062 273330507 /nfs/dbraw/zinc/33/05/07/273330507.db2.gz YIOGOJCRTFQPGS-KKUMJFAQSA-N 2 2 332.427 1.816 20 0 EDADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280179285 273348843 /nfs/dbraw/zinc/34/88/43/273348843.db2.gz GXKWSWMPMICKDX-GFCCVEGCSA-N 2 2 343.431 1.826 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000280555918 273370743 /nfs/dbraw/zinc/37/07/43/273370743.db2.gz PWGGBMOBEZUTNZ-GFCCVEGCSA-N 2 2 334.370 1.930 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000280555918 273370744 /nfs/dbraw/zinc/37/07/44/273370744.db2.gz PWGGBMOBEZUTNZ-GFCCVEGCSA-N 2 2 334.370 1.930 20 0 EDADLP CN(C)[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1c[nH+]cn1C ZINC000280696953 273386957 /nfs/dbraw/zinc/38/69/57/273386957.db2.gz DXDYGLUYKKXBFW-KRWDZBQOSA-N 2 2 347.438 1.540 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)[NH+](C)C)cc1 ZINC000280796578 273399519 /nfs/dbraw/zinc/39/95/19/273399519.db2.gz OZAMFXSASPTPRC-WMZOPIPTSA-N 2 2 343.475 1.750 20 0 EDADLP Cc1ccc2nc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)cn2c1 ZINC000284027327 274052569 /nfs/dbraw/zinc/05/25/69/274052569.db2.gz QXKFFDLAJJUQSC-KRWDZBQOSA-N 2 2 343.475 1.675 20 0 EDADLP Cc1ccc2nc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)cn2c1 ZINC000284027327 274052570 /nfs/dbraw/zinc/05/25/70/274052570.db2.gz QXKFFDLAJJUQSC-KRWDZBQOSA-N 2 2 343.475 1.675 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284215957 274120084 /nfs/dbraw/zinc/12/00/84/274120084.db2.gz ZTYUSWAONQREAM-AEFFLSMTSA-N 2 2 341.459 1.840 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284215957 274120085 /nfs/dbraw/zinc/12/00/85/274120085.db2.gz ZTYUSWAONQREAM-AEFFLSMTSA-N 2 2 341.459 1.840 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CCCC1 ZINC000284328394 274162862 /nfs/dbraw/zinc/16/28/62/274162862.db2.gz JRRMHJMKWANUQY-AWEZNQCLSA-N 2 2 347.463 1.454 20 0 EDADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352685 274202470 /nfs/dbraw/zinc/20/24/70/274202470.db2.gz ZOYWDIVQYZZFDL-JSGCOSHPSA-N 2 2 338.402 1.271 20 0 EDADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352685 274202471 /nfs/dbraw/zinc/20/24/71/274202471.db2.gz ZOYWDIVQYZZFDL-JSGCOSHPSA-N 2 2 338.402 1.271 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@H]21 ZINC000284576258 274250097 /nfs/dbraw/zinc/25/00/97/274250097.db2.gz RKEVRTGZDHRUEQ-MSOLQXFVSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@H]21 ZINC000284576258 274250098 /nfs/dbraw/zinc/25/00/98/274250098.db2.gz RKEVRTGZDHRUEQ-MSOLQXFVSA-N 2 2 340.427 1.477 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000246575542 274357281 /nfs/dbraw/zinc/35/72/81/274357281.db2.gz YGGCOXOCGOKULG-HFTRVMKXSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000246575542 274357283 /nfs/dbraw/zinc/35/72/83/274357283.db2.gz YGGCOXOCGOKULG-HFTRVMKXSA-N 2 2 328.460 1.645 20 0 EDADLP O=C1C[C@@]2(CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905356 274381150 /nfs/dbraw/zinc/38/11/50/274381150.db2.gz UZUZSPONQPTSTL-QUCCMNQESA-N 2 2 343.471 1.490 20 0 EDADLP O=C1C[C@@]2(CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905356 274381153 /nfs/dbraw/zinc/38/11/53/274381153.db2.gz UZUZSPONQPTSTL-QUCCMNQESA-N 2 2 343.471 1.490 20 0 EDADLP O=C1C[C@@]2(CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905356 274381155 /nfs/dbraw/zinc/38/11/55/274381155.db2.gz UZUZSPONQPTSTL-QUCCMNQESA-N 2 2 343.471 1.490 20 0 EDADLP O=C1C[C@@]2(CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)CN1 ZINC000284905356 274381158 /nfs/dbraw/zinc/38/11/58/274381158.db2.gz UZUZSPONQPTSTL-QUCCMNQESA-N 2 2 343.471 1.490 20 0 EDADLP O=C([C@@H]1CCCn2cc[nH+]c21)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000370016602 275005433 /nfs/dbraw/zinc/00/54/33/275005433.db2.gz ICTHAUOFRSHGRH-MRXNPFEDSA-N 2 2 332.448 1.474 20 0 EDADLP O=C([C@@H]1CCCn2cc[nH+]c21)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000370016602 275005434 /nfs/dbraw/zinc/00/54/34/275005434.db2.gz ICTHAUOFRSHGRH-MRXNPFEDSA-N 2 2 332.448 1.474 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCc4c3cccc4O)cn2)CC1 ZINC000134290090 277114810 /nfs/dbraw/zinc/11/48/10/277114810.db2.gz TVJVSMBYJKDBJX-KRWDZBQOSA-N 2 2 339.443 1.711 20 0 EDADLP CO[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000369739208 277290160 /nfs/dbraw/zinc/29/01/60/277290160.db2.gz ODICIWBBAYDKPH-HLLBOEOZSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)C1 ZINC000369739208 277290161 /nfs/dbraw/zinc/29/01/61/277290161.db2.gz ODICIWBBAYDKPH-HLLBOEOZSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCOCC1 ZINC000236688952 277743125 /nfs/dbraw/zinc/74/31/25/277743125.db2.gz RGLVWLWJQIMYRU-QZTJIDSGSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@@H](C)O1 ZINC000333386170 278028131 /nfs/dbraw/zinc/02/81/31/278028131.db2.gz GFRVPZJOTIJEME-XSRJWPIFSA-N 2 2 332.448 1.770 20 0 EDADLP CC(C)c1n[nH]cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000365770032 278069931 /nfs/dbraw/zinc/06/99/31/278069931.db2.gz RJHINUYFVZBLMO-AWEZNQCLSA-N 2 2 333.480 1.774 20 0 EDADLP CC(C)c1n[nH]cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000365770032 278069932 /nfs/dbraw/zinc/06/99/32/278069932.db2.gz RJHINUYFVZBLMO-AWEZNQCLSA-N 2 2 333.480 1.774 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000356634841 278100229 /nfs/dbraw/zinc/10/02/29/278100229.db2.gz YYGNPDYNPDTNSA-KBAYOESNSA-N 2 2 335.492 1.715 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000356634841 278100230 /nfs/dbraw/zinc/10/02/30/278100230.db2.gz YYGNPDYNPDTNSA-KBAYOESNSA-N 2 2 335.492 1.715 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000111614376 278193062 /nfs/dbraw/zinc/19/30/62/278193062.db2.gz DJPWYHBQWOQBSG-INIZCTEOSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000111614376 278193064 /nfs/dbraw/zinc/19/30/64/278193064.db2.gz DJPWYHBQWOQBSG-INIZCTEOSA-N 2 2 345.487 1.348 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1CC[NH2+]CC1(F)F)C2 ZINC000342763674 278564002 /nfs/dbraw/zinc/56/40/02/278564002.db2.gz DAUFGKGGJDPSRO-VXGBXAGGSA-N 2 2 340.418 1.856 20 0 EDADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC[N@@H+]1C ZINC000353680378 279126104 /nfs/dbraw/zinc/12/61/04/279126104.db2.gz UEOXKDJYGNQHSF-CSMYWGQOSA-N 2 2 337.489 1.784 20 0 EDADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC[N@H+]1C ZINC000353680378 279126106 /nfs/dbraw/zinc/12/61/06/279126106.db2.gz UEOXKDJYGNQHSF-CSMYWGQOSA-N 2 2 337.489 1.784 20 0 EDADLP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCOCC1)CCC(F)(F)F ZINC000338207781 279191936 /nfs/dbraw/zinc/19/19/36/279191936.db2.gz QCZXTDAVNNFVMS-UHFFFAOYSA-N 2 2 339.402 1.488 20 0 EDADLP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCOCC1)CCC(F)(F)F ZINC000338207781 279191938 /nfs/dbraw/zinc/19/19/38/279191938.db2.gz QCZXTDAVNNFVMS-UHFFFAOYSA-N 2 2 339.402 1.488 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2c(C)nc3sccn23)CC1 ZINC000268467928 279342669 /nfs/dbraw/zinc/34/26/69/279342669.db2.gz GYVVKMKJRVCDDN-CQSZACIVSA-N 2 2 349.504 1.689 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2c(C)nc3sccn23)CC1 ZINC000268467928 279342673 /nfs/dbraw/zinc/34/26/73/279342673.db2.gz GYVVKMKJRVCDDN-CQSZACIVSA-N 2 2 349.504 1.689 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccccc1 ZINC000356713396 279393792 /nfs/dbraw/zinc/39/37/92/279393792.db2.gz RBCVSCBUBQOKMC-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccccc1 ZINC000356713396 279393795 /nfs/dbraw/zinc/39/37/95/279393795.db2.gz RBCVSCBUBQOKMC-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP CCS(=O)(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305786935 280004262 /nfs/dbraw/zinc/00/42/62/280004262.db2.gz YKGAMSLEICSEIW-IMJJTQAJSA-N 2 2 332.510 1.167 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129682963 280243355 /nfs/dbraw/zinc/24/33/55/280243355.db2.gz HXRDDAVENLARHQ-KZNAEPCWSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129682963 280243359 /nfs/dbraw/zinc/24/33/59/280243359.db2.gz HXRDDAVENLARHQ-KZNAEPCWSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000414899761 288219511 /nfs/dbraw/zinc/21/95/11/288219511.db2.gz HNCYDIHEBVSMFR-IIAWOOMASA-N 2 2 332.448 1.861 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423863630 280372599 /nfs/dbraw/zinc/37/25/99/280372599.db2.gz AIEGPGAPTOMYBK-AYOQOUSVSA-N 2 2 343.471 1.270 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098576 280397014 /nfs/dbraw/zinc/39/70/14/280397014.db2.gz BTPNCWSRTACXFL-CHWSQXEVSA-N 2 2 348.472 1.882 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098576 280397016 /nfs/dbraw/zinc/39/70/16/280397016.db2.gz BTPNCWSRTACXFL-CHWSQXEVSA-N 2 2 348.472 1.882 20 0 EDADLP Cc1nn(C)c2sc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cc12 ZINC000287849310 288338006 /nfs/dbraw/zinc/33/80/06/288338006.db2.gz WRVNEXVSQWDMOP-JSGCOSHPSA-N 2 2 349.504 1.934 20 0 EDADLP Cc1nn(C)c2sc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cc12 ZINC000287849310 288338008 /nfs/dbraw/zinc/33/80/08/288338008.db2.gz WRVNEXVSQWDMOP-JSGCOSHPSA-N 2 2 349.504 1.934 20 0 EDADLP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[NH+]1CCSCC1 ZINC000288096519 288402846 /nfs/dbraw/zinc/40/28/46/288402846.db2.gz HTULIQPUXVBITI-CZUORRHYSA-N 2 2 339.480 1.982 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000290032195 288825479 /nfs/dbraw/zinc/82/54/79/288825479.db2.gz RYGNIJQIKKXFSQ-FHWLQOOXSA-N 2 2 345.487 1.873 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)c1ccccc1 ZINC000371697928 289187790 /nfs/dbraw/zinc/18/77/90/289187790.db2.gz ZOTIKXUGNQYWCU-QGZVFWFLSA-N 2 2 331.460 1.660 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000291965598 289227711 /nfs/dbraw/zinc/22/77/11/289227711.db2.gz VHKCATCTIHVUGP-FXAWDEMLSA-N 2 2 345.487 1.175 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000291965598 289227713 /nfs/dbraw/zinc/22/77/13/289227713.db2.gz VHKCATCTIHVUGP-FXAWDEMLSA-N 2 2 345.487 1.175 20 0 EDADLP O[C@H](COCC(F)(F)F)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000292585642 289388735 /nfs/dbraw/zinc/38/87/35/289388735.db2.gz ZVDAWPHODALIPQ-STQMWFEESA-N 2 2 333.354 1.755 20 0 EDADLP O[C@H](COCC(F)(F)F)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000292585642 289388737 /nfs/dbraw/zinc/38/87/37/289388737.db2.gz ZVDAWPHODALIPQ-STQMWFEESA-N 2 2 333.354 1.755 20 0 EDADLP CN(C[C@H](O)CNc1[nH+]cnc2[nH]ccc21)c1[nH+]cnc2[nH]ccc21 ZINC000292629343 289399146 /nfs/dbraw/zinc/39/91/46/289399146.db2.gz DZABGBKBAKGENQ-SNVBAGLBSA-N 2 2 338.375 1.138 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000268178853 290110425 /nfs/dbraw/zinc/11/04/25/290110425.db2.gz WCRVEVKTJNAQEZ-STQMWFEESA-N 2 2 325.478 1.337 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000268178853 290110427 /nfs/dbraw/zinc/11/04/27/290110427.db2.gz WCRVEVKTJNAQEZ-STQMWFEESA-N 2 2 325.478 1.337 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H](C)O1 ZINC000353393175 297017376 /nfs/dbraw/zinc/01/73/76/297017376.db2.gz ZBDKLNOGBGZRID-WCXIOVBPSA-N 2 2 346.475 1.861 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000353523045 293515705 /nfs/dbraw/zinc/51/57/05/293515705.db2.gz QBSCIZIHAYKLNB-WFASDCNBSA-N 2 2 325.840 1.519 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000353523036 294410513 /nfs/dbraw/zinc/41/05/13/294410513.db2.gz QBSCIZIHAYKLNB-SWLSCSKDSA-N 2 2 325.840 1.519 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cc1O ZINC000354855512 295134610 /nfs/dbraw/zinc/13/46/10/295134610.db2.gz IUMDOXLNEFCKOT-LSDHHAIUSA-N 2 2 348.422 1.837 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418648722 304525149 /nfs/dbraw/zinc/52/51/49/304525149.db2.gz ZVLISJGIDLOWMA-QGZVFWFLSA-N 2 2 327.432 1.802 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000369601665 298121474 /nfs/dbraw/zinc/12/14/74/298121474.db2.gz LUDMWQMOQRJSCR-QPSCCSFWSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000369601665 298121475 /nfs/dbraw/zinc/12/14/75/298121475.db2.gz LUDMWQMOQRJSCR-QPSCCSFWSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000369601665 298121476 /nfs/dbraw/zinc/12/14/76/298121476.db2.gz LUDMWQMOQRJSCR-QPSCCSFWSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000369601665 298121479 /nfs/dbraw/zinc/12/14/79/298121479.db2.gz LUDMWQMOQRJSCR-QPSCCSFWSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H]1C[N@@H+]([C@H](CNC(=O)N(C)CC[NH3+])c2cccs2)CCO1 ZINC000417826122 300293490 /nfs/dbraw/zinc/29/34/90/300293490.db2.gz MJDHJWBNMLECCR-QWHCGFSZSA-N 2 2 326.466 1.110 20 0 EDADLP C[C@H]1C[N@H+]([C@H](CNC(=O)N(C)CC[NH3+])c2cccs2)CCO1 ZINC000417826122 300293492 /nfs/dbraw/zinc/29/34/92/300293492.db2.gz MJDHJWBNMLECCR-QWHCGFSZSA-N 2 2 326.466 1.110 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)COC)CC2)CC1 ZINC000422026153 447314085 /nfs/dbraw/zinc/31/40/85/447314085.db2.gz UICROVCPOBNOKH-INIZCTEOSA-N 2 2 325.497 1.678 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H](C)COC)CC2)CC1 ZINC000422026153 447314089 /nfs/dbraw/zinc/31/40/89/447314089.db2.gz UICROVCPOBNOKH-INIZCTEOSA-N 2 2 325.497 1.678 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000420301132 304746115 /nfs/dbraw/zinc/74/61/15/304746115.db2.gz LBDBSUNHJBDYNR-MRXNPFEDSA-N 2 2 327.432 1.350 20 0 EDADLP C[NH2+]CCCN(C)CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000420392199 304754598 /nfs/dbraw/zinc/75/45/98/304754598.db2.gz UTMWVZVLUIMTGB-UHFFFAOYSA-N 2 2 325.482 1.219 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cccc(O)c3)CC2)CC1 ZINC000422028460 447316308 /nfs/dbraw/zinc/31/63/08/447316308.db2.gz XWNGWAPWDWRPOJ-UHFFFAOYSA-N 2 2 345.487 1.953 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3cccc(O)c3)CC2)CC1 ZINC000422028460 447316316 /nfs/dbraw/zinc/31/63/16/447316316.db2.gz XWNGWAPWDWRPOJ-UHFFFAOYSA-N 2 2 345.487 1.953 20 0 EDADLP C[NH+]1CCN([C@H](C(=O)NCCc2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000172991718 302949863 /nfs/dbraw/zinc/94/98/63/302949863.db2.gz UIFHXPBESBQEMW-KRWDZBQOSA-N 2 2 327.432 1.057 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cnn(C)n3)cc2)C[C@H](C)O1 ZINC000293961605 303044673 /nfs/dbraw/zinc/04/46/73/303044673.db2.gz CLHKIQUBLPLTAH-GASCZTMLSA-N 2 2 329.448 1.714 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cnn(C)n3)cc2)C[C@H](C)O1 ZINC000293961605 303044675 /nfs/dbraw/zinc/04/46/75/303044675.db2.gz CLHKIQUBLPLTAH-GASCZTMLSA-N 2 2 329.448 1.714 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000295266382 303196933 /nfs/dbraw/zinc/19/69/33/303196933.db2.gz VHMUXKGXZREVGE-CABCVRRESA-N 2 2 339.505 1.934 20 0 EDADLP CC[C@H]1CN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@@H+]1C[C@@H](C)O ZINC000296747650 303335721 /nfs/dbraw/zinc/33/57/21/303335721.db2.gz DKGLUJAAZNGVPY-ZBFHGGJFSA-N 2 2 345.447 1.952 20 0 EDADLP CC[C@H]1CN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@H+]1C[C@@H](C)O ZINC000296747650 303335724 /nfs/dbraw/zinc/33/57/24/303335724.db2.gz DKGLUJAAZNGVPY-ZBFHGGJFSA-N 2 2 345.447 1.952 20 0 EDADLP Cc1cc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000297125345 303362477 /nfs/dbraw/zinc/36/24/77/303362477.db2.gz YDSSJYPOHBDVGH-ZIAGYGMSSA-N 2 2 331.420 1.873 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[NH+](C[C@@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000301553542 303684316 /nfs/dbraw/zinc/68/43/16/303684316.db2.gz MWNYRTXUSGPGAE-SJORKVTESA-N 2 2 345.491 1.871 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000301816465 303697115 /nfs/dbraw/zinc/69/71/15/303697115.db2.gz JJWABTCOPDWZRO-KBPBESRZSA-N 2 2 330.436 1.882 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000493519722 447338369 /nfs/dbraw/zinc/33/83/69/447338369.db2.gz HZYDMWLSGIHVLF-AATRIKPKSA-N 2 2 326.400 1.572 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)COC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000423411799 304894692 /nfs/dbraw/zinc/89/46/92/304894692.db2.gz GIWORMTYKIMLKK-HNNXBMFYSA-N 2 2 341.402 1.452 20 0 EDADLP COC[C@]1(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC[NH2+]C1 ZINC000423442028 304896584 /nfs/dbraw/zinc/89/65/84/304896584.db2.gz YWXSJWHNHFBLOS-KSSFIOAISA-N 2 2 328.416 1.676 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000423746788 304907816 /nfs/dbraw/zinc/90/78/16/304907816.db2.gz RRIBLVGJTCYPSY-XYPHTWIQSA-N 2 2 335.423 1.537 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H](C)[NH2+]C3CC3)c2)CC1 ZINC000423836078 304911536 /nfs/dbraw/zinc/91/15/36/304911536.db2.gz GFYPRZYHRFGQHV-AWEZNQCLSA-N 2 2 344.459 1.430 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCCO[C@H](C[NH3+])C3)cn2c1 ZINC000424018556 304925556 /nfs/dbraw/zinc/92/55/56/304925556.db2.gz IQDSXBAJBAGBDU-OAHLLOKOSA-N 2 2 348.472 1.452 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000428038420 305004823 /nfs/dbraw/zinc/00/48/23/305004823.db2.gz NRGWEBSTVKDCFW-WDSOQIARSA-N 2 2 345.487 1.954 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000428038420 305004824 /nfs/dbraw/zinc/00/48/24/305004824.db2.gz NRGWEBSTVKDCFW-WDSOQIARSA-N 2 2 345.487 1.954 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000429806709 305037599 /nfs/dbraw/zinc/03/75/99/305037599.db2.gz XLKQJTOOUMNWBM-MAUKXSAKSA-N 3 2 336.524 1.392 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000429806709 305037600 /nfs/dbraw/zinc/03/76/00/305037600.db2.gz XLKQJTOOUMNWBM-MAUKXSAKSA-N 3 2 336.524 1.392 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000429806709 305037601 /nfs/dbraw/zinc/03/76/01/305037601.db2.gz XLKQJTOOUMNWBM-MAUKXSAKSA-N 3 2 336.524 1.392 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000429806709 305037602 /nfs/dbraw/zinc/03/76/02/305037602.db2.gz XLKQJTOOUMNWBM-MAUKXSAKSA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000430568978 305056202 /nfs/dbraw/zinc/05/62/02/305056202.db2.gz HUSQYCLDUHNOQT-LJQANCHMSA-N 2 2 343.475 1.494 20 0 EDADLP O=C(CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000430588567 305057356 /nfs/dbraw/zinc/05/73/56/305057356.db2.gz DYPCCEOHVMRJTL-SJORKVTESA-N 2 2 348.516 1.219 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)C1CC1 ZINC000430587457 305057400 /nfs/dbraw/zinc/05/74/00/305057400.db2.gz ZLYNTDDSNWCDOG-SFHVURJKSA-N 2 2 330.432 1.469 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)c1OC ZINC000430601401 305057982 /nfs/dbraw/zinc/05/79/82/305057982.db2.gz ZPKXWQLTYPVMHX-SFHVURJKSA-N 2 2 335.448 1.379 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C1 ZINC000430605380 305058378 /nfs/dbraw/zinc/05/83/78/305058378.db2.gz SMUNVNYPOYHWLS-HNNXBMFYSA-N 2 2 327.432 1.851 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C1 ZINC000430605380 305058379 /nfs/dbraw/zinc/05/83/79/305058379.db2.gz SMUNVNYPOYHWLS-HNNXBMFYSA-N 2 2 327.432 1.851 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000430622831 305059750 /nfs/dbraw/zinc/05/97/50/305059750.db2.gz MAZHATKKQSHBDE-INIZCTEOSA-N 2 2 330.476 1.313 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000430622831 305059751 /nfs/dbraw/zinc/05/97/51/305059751.db2.gz MAZHATKKQSHBDE-INIZCTEOSA-N 2 2 330.476 1.313 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000430630330 305060150 /nfs/dbraw/zinc/06/01/50/305060150.db2.gz YGBNRPAMPOSPEX-KSSFIOAISA-N 2 2 347.459 1.741 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000430630330 305060151 /nfs/dbraw/zinc/06/01/51/305060151.db2.gz YGBNRPAMPOSPEX-KSSFIOAISA-N 2 2 347.459 1.741 20 0 EDADLP [NH3+]C[C@@H]1CCCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000430639840 305060863 /nfs/dbraw/zinc/06/08/63/305060863.db2.gz GMRUYTIANHYKEH-SFHVURJKSA-N 2 2 346.475 1.271 20 0 EDADLP COc1ccc([C@H](NC(=O)C[C@H]2C[NH2+]CCO2)c2[nH+]ccn2C)cc1 ZINC000430739116 305063765 /nfs/dbraw/zinc/06/37/65/305063765.db2.gz GSQHYSBHPFSRTD-RDJZCZTQSA-N 2 2 344.415 1.013 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1 ZINC000430852561 305066063 /nfs/dbraw/zinc/06/60/63/305066063.db2.gz DYIXOOVMXGJYMQ-ZBFHGGJFSA-N 2 2 332.379 1.143 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430938168 305069428 /nfs/dbraw/zinc/06/94/28/305069428.db2.gz ASFKCJWZJUXYPE-KGLIPLIRSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@@H]1[NH3+] ZINC000430938168 305069429 /nfs/dbraw/zinc/06/94/29/305069429.db2.gz ASFKCJWZJUXYPE-KGLIPLIRSA-N 2 2 330.432 1.421 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000430937469 305069521 /nfs/dbraw/zinc/06/95/21/305069521.db2.gz CACODFDKQJEAPT-CZUORRHYSA-N 2 2 330.457 1.629 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000430937469 305069522 /nfs/dbraw/zinc/06/95/22/305069522.db2.gz CACODFDKQJEAPT-CZUORRHYSA-N 2 2 330.457 1.629 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000431562017 305079583 /nfs/dbraw/zinc/07/95/83/305079583.db2.gz VBGJPYSWLKXKOP-UHFFFAOYSA-N 2 2 342.443 1.312 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432115272 305087348 /nfs/dbraw/zinc/08/73/48/305087348.db2.gz MQLRNMLAHXNKAO-AWEZNQCLSA-N 2 2 340.493 1.256 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432115272 305087349 /nfs/dbraw/zinc/08/73/49/305087349.db2.gz MQLRNMLAHXNKAO-AWEZNQCLSA-N 2 2 340.493 1.256 20 0 EDADLP C[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000433141459 305101583 /nfs/dbraw/zinc/10/15/83/305101583.db2.gz PCYLOBCINRNNTA-HOCLYGCPSA-N 2 2 337.489 1.407 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@H](C[NH3+])C(C)C)[NH+]2CCOCC2)c1 ZINC000433157829 305101852 /nfs/dbraw/zinc/10/18/52/305101852.db2.gz NUBPOFKWPQIWGC-QZTJIDSGSA-N 2 2 333.476 1.715 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000434629778 305125541 /nfs/dbraw/zinc/12/55/41/305125541.db2.gz IRLNKJKVHYDJPG-CYBMUJFWSA-N 2 2 330.392 1.304 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000434629778 305125542 /nfs/dbraw/zinc/12/55/42/305125542.db2.gz IRLNKJKVHYDJPG-CYBMUJFWSA-N 2 2 330.392 1.304 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1OC ZINC000435393092 305139724 /nfs/dbraw/zinc/13/97/24/305139724.db2.gz YVWKGTOVKATKDY-HOCLYGCPSA-N 2 2 349.475 1.769 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1OC ZINC000435393092 305139725 /nfs/dbraw/zinc/13/97/25/305139725.db2.gz YVWKGTOVKATKDY-HOCLYGCPSA-N 2 2 349.475 1.769 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H]1CCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435559826 305142309 /nfs/dbraw/zinc/14/23/09/305142309.db2.gz JVGHTRGCVHAJII-HOTGVXAUSA-N 2 2 346.475 1.800 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435621042 305143789 /nfs/dbraw/zinc/14/37/89/305143789.db2.gz IGBDYOZTNMZVII-CABCVRRESA-N 2 2 349.475 1.955 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435621042 305143790 /nfs/dbraw/zinc/14/37/90/305143790.db2.gz IGBDYOZTNMZVII-CABCVRRESA-N 2 2 349.475 1.955 20 0 EDADLP CC(C)CNC(=O)CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695865 305145523 /nfs/dbraw/zinc/14/55/23/305145523.db2.gz OEJPVUFTCNJKQM-OAHLLOKOSA-N 2 2 333.480 1.136 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000436295128 305155481 /nfs/dbraw/zinc/15/54/81/305155481.db2.gz REODPWPVGZROEB-VQIMIIECSA-N 2 2 345.491 1.071 20 0 EDADLP O=C(C[N@@H+]1CCOC2(CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441456944 305222209 /nfs/dbraw/zinc/22/22/09/305222209.db2.gz KUDJJMMPONFSDO-UHFFFAOYSA-N 2 2 335.492 1.765 20 0 EDADLP O=C(C[N@H+]1CCOC2(CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441456944 305222210 /nfs/dbraw/zinc/22/22/10/305222210.db2.gz KUDJJMMPONFSDO-UHFFFAOYSA-N 2 2 335.492 1.765 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000442950885 305231749 /nfs/dbraw/zinc/23/17/49/305231749.db2.gz MKRVUZPRAJHYMM-HNNXBMFYSA-N 2 2 348.472 1.504 20 0 EDADLP C[C@@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000443675212 305240726 /nfs/dbraw/zinc/24/07/26/305240726.db2.gz QWOKKTFUXCQKMI-CQSZACIVSA-N 2 2 336.484 1.213 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000446602650 305267770 /nfs/dbraw/zinc/26/77/70/305267770.db2.gz UQAWQUGPDVDFAA-UHFFFAOYSA-N 2 2 343.431 1.121 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447515192 305281097 /nfs/dbraw/zinc/28/10/97/305281097.db2.gz JQMQHHKKCGPUAS-NVXWUHKLSA-N 2 2 329.448 1.841 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447515192 305281098 /nfs/dbraw/zinc/28/10/98/305281098.db2.gz JQMQHHKKCGPUAS-NVXWUHKLSA-N 2 2 329.448 1.841 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000447525940 305281350 /nfs/dbraw/zinc/28/13/50/305281350.db2.gz AHQDRGUWPICGDU-WBVHZDCISA-N 2 2 328.464 1.510 20 0 EDADLP COc1nccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000449145409 305307845 /nfs/dbraw/zinc/30/78/45/305307845.db2.gz XVCWKNWWISODFM-RHSMWYFYSA-N 2 2 327.432 1.880 20 0 EDADLP COc1nccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000449145409 305307846 /nfs/dbraw/zinc/30/78/46/305307846.db2.gz XVCWKNWWISODFM-RHSMWYFYSA-N 2 2 327.432 1.880 20 0 EDADLP COc1cc(C)ccc1C[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000449150893 305308106 /nfs/dbraw/zinc/30/81/06/305308106.db2.gz UMVYHZVKHBRRKP-UHFFFAOYSA-N 2 2 335.492 1.483 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000449350891 305312412 /nfs/dbraw/zinc/31/24/12/305312412.db2.gz XRWUBQLGGVSQNC-RBSFLKMASA-N 2 2 337.489 1.435 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000449883009 305321834 /nfs/dbraw/zinc/32/18/34/305321834.db2.gz KVPDYMZNJHGOCN-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000449883009 305321835 /nfs/dbraw/zinc/32/18/35/305321835.db2.gz KVPDYMZNJHGOCN-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H]1C ZINC000449883009 305321836 /nfs/dbraw/zinc/32/18/36/305321836.db2.gz KVPDYMZNJHGOCN-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@@H]1C ZINC000449883009 305321837 /nfs/dbraw/zinc/32/18/37/305321837.db2.gz KVPDYMZNJHGOCN-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC000450134804 305325871 /nfs/dbraw/zinc/32/58/71/305325871.db2.gz QATPIZRMFOATAU-CQSZACIVSA-N 2 2 346.431 1.627 20 0 EDADLP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000450134804 305325872 /nfs/dbraw/zinc/32/58/72/305325872.db2.gz QATPIZRMFOATAU-CQSZACIVSA-N 2 2 346.431 1.627 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000456258375 447351396 /nfs/dbraw/zinc/35/13/96/447351396.db2.gz YKYUQDQKJTVRIZ-ZIFCJYIRSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000456258375 447351398 /nfs/dbraw/zinc/35/13/98/447351398.db2.gz YKYUQDQKJTVRIZ-ZIFCJYIRSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000456258375 447351402 /nfs/dbraw/zinc/35/14/02/447351402.db2.gz YKYUQDQKJTVRIZ-ZIFCJYIRSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000456258375 447351404 /nfs/dbraw/zinc/35/14/04/447351404.db2.gz YKYUQDQKJTVRIZ-ZIFCJYIRSA-N 2 2 347.503 1.811 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[C@H]3CCC[NH2+]C3)CCCC2)no1 ZINC000517040630 305747263 /nfs/dbraw/zinc/74/72/63/305747263.db2.gz VWRYHCKEBBUPTC-CYBMUJFWSA-N 2 2 335.452 1.406 20 0 EDADLP C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1n1cc[nH+]c1 ZINC000532091662 305973624 /nfs/dbraw/zinc/97/36/24/305973624.db2.gz AODSCOLPWNYVNK-ZFWWWQNUSA-N 2 2 337.387 1.582 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2nnc(-c3ccco3)o2)C1 ZINC000534309464 306005772 /nfs/dbraw/zinc/00/57/72/306005772.db2.gz XJLUPUSXSPQHRR-NSHDSACASA-N 2 2 342.359 1.491 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2nnc(-c3ccco3)o2)C1 ZINC000534309464 306005773 /nfs/dbraw/zinc/00/57/73/306005773.db2.gz XJLUPUSXSPQHRR-NSHDSACASA-N 2 2 342.359 1.491 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580898 306008152 /nfs/dbraw/zinc/00/81/52/306008152.db2.gz UWFFZUAQEOQLGY-ZBFHGGJFSA-N 2 2 342.443 1.923 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580898 306008153 /nfs/dbraw/zinc/00/81/53/306008153.db2.gz UWFFZUAQEOQLGY-ZBFHGGJFSA-N 2 2 342.443 1.923 20 0 EDADLP c1snnc1CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000540808840 306040563 /nfs/dbraw/zinc/04/05/63/306040563.db2.gz JLDINCSCGWYTJL-UHFFFAOYSA-N 2 2 344.444 1.901 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000550117148 306150924 /nfs/dbraw/zinc/15/09/24/306150924.db2.gz VBQBKDYBEDWTSC-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000550117148 306150925 /nfs/dbraw/zinc/15/09/25/306150925.db2.gz VBQBKDYBEDWTSC-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP COc1cccc([C@@H](C[NH2+]CCC(=O)NC(N)=O)[NH+]2CCCC2)c1 ZINC000551700816 306160204 /nfs/dbraw/zinc/16/02/04/306160204.db2.gz QESAKANQUSBGIH-OAHLLOKOSA-N 2 2 334.420 1.007 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000555903108 306207063 /nfs/dbraw/zinc/20/70/63/306207063.db2.gz BZRMQFPIPAINBU-INIZCTEOSA-N 2 2 332.448 1.128 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000555903108 306207064 /nfs/dbraw/zinc/20/70/64/306207064.db2.gz BZRMQFPIPAINBU-INIZCTEOSA-N 2 2 332.448 1.128 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000557137889 306224898 /nfs/dbraw/zinc/22/48/98/306224898.db2.gz JTEQIBSEHVFKFJ-HOCLYGCPSA-N 2 2 327.432 1.808 20 0 EDADLP CC[N@H+](CCNC(=O)N(C)Cc1[nH+]ccn1C)CCC(F)(F)F ZINC000425969486 447369100 /nfs/dbraw/zinc/36/91/00/447369100.db2.gz WVWFCLGYLURLDC-UHFFFAOYSA-N 2 2 335.374 1.836 20 0 EDADLP CC[N@@H+](CCNC(=O)N(C)Cc1[nH+]ccn1C)CCC(F)(F)F ZINC000425969486 447369105 /nfs/dbraw/zinc/36/91/05/447369105.db2.gz WVWFCLGYLURLDC-UHFFFAOYSA-N 2 2 335.374 1.836 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000449444317 447374046 /nfs/dbraw/zinc/37/40/46/447374046.db2.gz ZXIDWYAXNZIOJD-DJIMGWMZSA-N 2 2 339.505 1.424 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000449444317 447374051 /nfs/dbraw/zinc/37/40/51/447374051.db2.gz ZXIDWYAXNZIOJD-DJIMGWMZSA-N 2 2 339.505 1.424 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000414954077 447372551 /nfs/dbraw/zinc/37/25/51/447372551.db2.gz MPFVCBSOLFDUPL-RHSMWYFYSA-N 2 2 331.460 1.822 20 0 EDADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657071420 453661322 /nfs/dbraw/zinc/66/13/22/453661322.db2.gz NXJDDZJKFSGXAZ-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657071420 453661325 /nfs/dbraw/zinc/66/13/25/453661325.db2.gz NXJDDZJKFSGXAZ-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415224927 447400182 /nfs/dbraw/zinc/40/01/82/447400182.db2.gz TUPYRJRDJNHIDJ-UHFFFAOYSA-N 2 2 333.436 1.327 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2cc(C)nc(N3CCCC3)n2)CC1 ZINC000426288592 447413830 /nfs/dbraw/zinc/41/38/30/447413830.db2.gz JXCBUVGGIAALEP-UHFFFAOYSA-N 2 2 333.480 1.586 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H](O)C2)([NH+]2CCCCC2)CC1 ZINC000080493173 441174575 /nfs/dbraw/zinc/17/45/75/441174575.db2.gz DPKVWPXAEBXCCB-MRXNPFEDSA-N 2 2 338.496 1.103 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959395 441212253 /nfs/dbraw/zinc/21/22/53/441212253.db2.gz XGQXQCDFBNYEKH-JSGCOSHPSA-N 2 2 341.415 1.715 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959395 441212256 /nfs/dbraw/zinc/21/22/56/441212256.db2.gz XGQXQCDFBNYEKH-JSGCOSHPSA-N 2 2 341.415 1.715 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000106029583 441322664 /nfs/dbraw/zinc/32/26/64/441322664.db2.gz PUGSVDOQYRRQCW-GOSISDBHSA-N 2 2 341.459 1.367 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000106516253 441347720 /nfs/dbraw/zinc/34/77/20/441347720.db2.gz KURUEURLNKOYFT-SJLPKXTDSA-N 2 2 347.507 1.224 20 0 EDADLP CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[NH+](C)C ZINC000106460390 441345192 /nfs/dbraw/zinc/34/51/92/441345192.db2.gz CKGGELXJRYERQE-SFHVURJKSA-N 2 2 332.492 1.959 20 0 EDADLP C[C@H](NC(=O)C1([NH+](C)C)Cc2ccccc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000073431179 441316663 /nfs/dbraw/zinc/31/66/63/441316663.db2.gz RQVBEQBPLPOMCM-HOTGVXAUSA-N 2 2 345.487 1.311 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3cscn3)CC2)CC1 ZINC000050797408 441389801 /nfs/dbraw/zinc/38/98/01/441389801.db2.gz QKEOPMGDBDRQHV-NSCUHMNNSA-N 2 2 334.489 1.831 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)n1C ZINC000083737739 441373375 /nfs/dbraw/zinc/37/33/75/441373375.db2.gz IIVNJNKIBIVWJX-ZDUSSCGKSA-N 2 2 331.424 1.646 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CC(=O)NC3CC3)c2cc1C ZINC000051589431 441416869 /nfs/dbraw/zinc/41/68/69/441416869.db2.gz UAJRFJCWPIRKKK-OAHLLOKOSA-N 2 2 330.432 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CC(=O)NC3CC3)c2cc1C ZINC000051589431 441416871 /nfs/dbraw/zinc/41/68/71/441416871.db2.gz UAJRFJCWPIRKKK-OAHLLOKOSA-N 2 2 330.432 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CC(=O)NC(C)(C)C)c2cc1C ZINC000051590475 441417317 /nfs/dbraw/zinc/41/73/17/441417317.db2.gz NXJDBRMVYHWWGT-HNNXBMFYSA-N 2 2 346.475 1.861 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CC(=O)NC(C)(C)C)c2cc1C ZINC000051590475 441417321 /nfs/dbraw/zinc/41/73/21/441417321.db2.gz NXJDBRMVYHWWGT-HNNXBMFYSA-N 2 2 346.475 1.861 20 0 EDADLP CC[N@@H+](CC(=O)N(C)C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051792595 441424190 /nfs/dbraw/zinc/42/41/90/441424190.db2.gz DOSFRKRGQMJKQW-OAHLLOKOSA-N 2 2 332.448 1.424 20 0 EDADLP CC[N@H+](CC(=O)N(C)C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051792595 441424196 /nfs/dbraw/zinc/42/41/96/441424196.db2.gz DOSFRKRGQMJKQW-OAHLLOKOSA-N 2 2 332.448 1.424 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000085387115 441436188 /nfs/dbraw/zinc/43/61/88/441436188.db2.gz IDPRAZXFMBMACI-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000085387115 441436190 /nfs/dbraw/zinc/43/61/90/441436190.db2.gz IDPRAZXFMBMACI-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000085862484 441453388 /nfs/dbraw/zinc/45/33/88/441453388.db2.gz VXKISMIXIFMOOP-UHFFFAOYSA-N 2 2 325.478 1.095 20 0 EDADLP CC(C)[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000085862484 441453390 /nfs/dbraw/zinc/45/33/90/441453390.db2.gz VXKISMIXIFMOOP-UHFFFAOYSA-N 2 2 325.478 1.095 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000066149363 441507777 /nfs/dbraw/zinc/50/77/77/441507777.db2.gz XUBCJLQMFTZSSN-CQSZACIVSA-N 2 2 340.493 1.324 20 0 EDADLP C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000089932519 441597703 /nfs/dbraw/zinc/59/77/03/441597703.db2.gz MLNFZILLCYRHLM-CVEARBPZSA-N 2 2 335.448 1.017 20 0 EDADLP C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000089932519 441597706 /nfs/dbraw/zinc/59/77/06/441597706.db2.gz MLNFZILLCYRHLM-CVEARBPZSA-N 2 2 335.448 1.017 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000113646851 441622264 /nfs/dbraw/zinc/62/22/64/441622264.db2.gz CEQZBINWRIUTBL-ZDUSSCGKSA-N 2 2 334.420 1.409 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000113646851 441622267 /nfs/dbraw/zinc/62/22/67/441622267.db2.gz CEQZBINWRIUTBL-ZDUSSCGKSA-N 2 2 334.420 1.409 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000076320088 441629274 /nfs/dbraw/zinc/62/92/74/441629274.db2.gz BAAUWJVICUSXBK-QGZVFWFLSA-N 2 2 345.491 1.050 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000076320088 441629279 /nfs/dbraw/zinc/62/92/79/441629279.db2.gz BAAUWJVICUSXBK-QGZVFWFLSA-N 2 2 345.491 1.050 20 0 EDADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1nc(-c2nc[nH]n2)no1 ZINC000090765981 441643012 /nfs/dbraw/zinc/64/30/12/441643012.db2.gz LHULVFIJVJVYIK-UPJWGTAASA-N 2 2 331.424 1.768 20 0 EDADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1nc(-c2nc[nH]n2)no1 ZINC000090765981 441643016 /nfs/dbraw/zinc/64/30/16/441643016.db2.gz LHULVFIJVJVYIK-UPJWGTAASA-N 2 2 331.424 1.768 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478655 441661602 /nfs/dbraw/zinc/66/16/02/441661602.db2.gz HFYWCUQBRWKKQK-QZTJIDSGSA-N 2 2 344.503 1.607 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478655 441661606 /nfs/dbraw/zinc/66/16/06/441661606.db2.gz HFYWCUQBRWKKQK-QZTJIDSGSA-N 2 2 344.503 1.607 20 0 EDADLP C[N@H+](CCN1CC[NH+](C[C@H](O)C(F)(F)F)CC1)Cc1ccccc1 ZINC000158224340 441708834 /nfs/dbraw/zinc/70/88/34/441708834.db2.gz WMILQENDRHGIBO-INIZCTEOSA-N 2 2 345.409 1.659 20 0 EDADLP C[N@@H+](CCN1CC[NH+](C[C@H](O)C(F)(F)F)CC1)Cc1ccccc1 ZINC000158224340 441708836 /nfs/dbraw/zinc/70/88/36/441708836.db2.gz WMILQENDRHGIBO-INIZCTEOSA-N 2 2 345.409 1.659 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000077249547 441742788 /nfs/dbraw/zinc/74/27/88/441742788.db2.gz IGISZIFAKDCROW-INIZCTEOSA-N 2 2 347.459 1.359 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000077249547 441742793 /nfs/dbraw/zinc/74/27/93/441742793.db2.gz IGISZIFAKDCROW-INIZCTEOSA-N 2 2 347.459 1.359 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2OC)[C@H](C)C1 ZINC000115628703 441765105 /nfs/dbraw/zinc/76/51/05/441765105.db2.gz GJTFZGXHWZERDL-RHSMWYFYSA-N 2 2 338.496 1.964 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2OC)[C@H](C)C1 ZINC000115628703 441765111 /nfs/dbraw/zinc/76/51/11/441765111.db2.gz GJTFZGXHWZERDL-RHSMWYFYSA-N 2 2 338.496 1.964 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000077121537 441720322 /nfs/dbraw/zinc/72/03/22/441720322.db2.gz IHDXXTIFVMTBSD-UHFFFAOYSA-N 2 2 341.459 1.126 20 0 EDADLP C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000042909033 441797607 /nfs/dbraw/zinc/79/76/07/441797607.db2.gz BSAJZXRACWCHME-ZDUSSCGKSA-N 2 2 326.485 1.316 20 0 EDADLP CC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000121866554 441798101 /nfs/dbraw/zinc/79/81/01/441798101.db2.gz LSLNDFIXDGHXMB-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NCCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000068515354 441812049 /nfs/dbraw/zinc/81/20/49/441812049.db2.gz BEAMMNRSNBCJTJ-LJQANCHMSA-N 2 2 346.519 1.823 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)NCCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000068515354 441812053 /nfs/dbraw/zinc/81/20/53/441812053.db2.gz BEAMMNRSNBCJTJ-LJQANCHMSA-N 2 2 346.519 1.823 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000173901863 441858569 /nfs/dbraw/zinc/85/85/69/441858569.db2.gz ZIVKGAXIUQRGML-KRWDZBQOSA-N 2 2 344.503 1.439 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000173901863 441858574 /nfs/dbraw/zinc/85/85/74/441858574.db2.gz ZIVKGAXIUQRGML-KRWDZBQOSA-N 2 2 344.503 1.439 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000173901863 441858578 /nfs/dbraw/zinc/85/85/78/441858578.db2.gz ZIVKGAXIUQRGML-KRWDZBQOSA-N 2 2 344.503 1.439 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000173901863 441858584 /nfs/dbraw/zinc/85/85/84/441858584.db2.gz ZIVKGAXIUQRGML-KRWDZBQOSA-N 2 2 344.503 1.439 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000139595126 441822728 /nfs/dbraw/zinc/82/27/28/441822728.db2.gz XFUXJCOXEPZQQO-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000139595126 441822731 /nfs/dbraw/zinc/82/27/31/441822731.db2.gz XFUXJCOXEPZQQO-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000092751149 441824171 /nfs/dbraw/zinc/82/41/71/441824171.db2.gz HVJRKOADOWUEJX-IAGOWNOFSA-N 2 2 347.503 1.984 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000068593604 441828200 /nfs/dbraw/zinc/82/82/00/441828200.db2.gz DNQYOOUUXWIYJF-SJLPKXTDSA-N 2 2 348.491 1.699 20 0 EDADLP C[NH+]1CCC[C@@H]2C[NH+](CCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000140033275 441831943 /nfs/dbraw/zinc/83/19/43/441831943.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2C[NH+](CCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000140033275 441831947 /nfs/dbraw/zinc/83/19/47/441831947.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(CC[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000140033275 441831952 /nfs/dbraw/zinc/83/19/52/441831952.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(CC[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000140033275 441831957 /nfs/dbraw/zinc/83/19/57/441831957.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2C[NH+](CCN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000140033275 441831960 /nfs/dbraw/zinc/83/19/60/441831960.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2C[NH+](CCN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000140033275 441831965 /nfs/dbraw/zinc/83/19/65/441831965.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CCN3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000140033275 441831971 /nfs/dbraw/zinc/83/19/71/441831971.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 3 2 334.552 1.819 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC[C@H]21 ZINC000140033275 441831975 /nfs/dbraw/zinc/83/19/75/441831975.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 3 2 334.552 1.819 20 0 EDADLP Nc1nc(-n2cccn2)cc(NCC[N@@H+]2CCc3sccc3C2)[nH+]1 ZINC000092891707 441836381 /nfs/dbraw/zinc/83/63/81/441836381.db2.gz MYFKTEXNBWWVMS-UHFFFAOYSA-N 2 2 341.444 1.776 20 0 EDADLP Nc1nc(-n2cccn2)cc(NCC[N@H+]2CCc3sccc3C2)[nH+]1 ZINC000092891707 441836388 /nfs/dbraw/zinc/83/63/88/441836388.db2.gz MYFKTEXNBWWVMS-UHFFFAOYSA-N 2 2 341.444 1.776 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000077977340 441890753 /nfs/dbraw/zinc/89/07/53/441890753.db2.gz ZYHQVBFYQJZSKW-GOSISDBHSA-N 2 2 330.476 1.846 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000077977340 441890757 /nfs/dbraw/zinc/89/07/57/441890757.db2.gz ZYHQVBFYQJZSKW-GOSISDBHSA-N 2 2 330.476 1.846 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174153718 441894266 /nfs/dbraw/zinc/89/42/66/441894266.db2.gz UQBRDOVALIFNRJ-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174153718 441894270 /nfs/dbraw/zinc/89/42/70/441894270.db2.gz UQBRDOVALIFNRJ-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000120019859 441995053 /nfs/dbraw/zinc/99/50/53/441995053.db2.gz YBGMLZVTKDMNIF-UHFFFAOYSA-N 2 2 343.431 1.205 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119990054 441987885 /nfs/dbraw/zinc/98/78/85/441987885.db2.gz ZZVJPGRRAOAWAC-HNNXBMFYSA-N 2 2 327.494 1.888 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119990054 441987891 /nfs/dbraw/zinc/98/78/91/441987891.db2.gz ZZVJPGRRAOAWAC-HNNXBMFYSA-N 2 2 327.494 1.888 20 0 EDADLP CC[C@H](COC)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000175176418 442011700 /nfs/dbraw/zinc/01/17/00/442011700.db2.gz FPTSVHJQAXVBLM-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@H](C)C1 ZINC000175717250 442111007 /nfs/dbraw/zinc/11/10/07/442111007.db2.gz AXSFYGYQYJXMDX-DGCLKSJQSA-N 2 2 335.477 1.622 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@H](C)C1 ZINC000175717250 442111008 /nfs/dbraw/zinc/11/10/08/442111008.db2.gz AXSFYGYQYJXMDX-DGCLKSJQSA-N 2 2 335.477 1.622 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@H](C)C1 ZINC000175717250 442111010 /nfs/dbraw/zinc/11/10/10/442111010.db2.gz AXSFYGYQYJXMDX-DGCLKSJQSA-N 2 2 335.477 1.622 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@H](C)C1 ZINC000175717250 442111011 /nfs/dbraw/zinc/11/10/11/442111011.db2.gz AXSFYGYQYJXMDX-DGCLKSJQSA-N 2 2 335.477 1.622 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cc(F)ccc2F)CC1 ZINC000175735579 442113979 /nfs/dbraw/zinc/11/39/79/442113979.db2.gz XZQUJDCMJITEAC-UHFFFAOYSA-N 2 2 340.418 1.790 20 0 EDADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)Cn2cc[nH+]c2)c2ccc(Cl)cc2)C1 ZINC000126779330 442141927 /nfs/dbraw/zinc/14/19/27/442141927.db2.gz BAGWPBZLDBLQBX-DOTOQJQBSA-N 2 2 348.834 1.725 20 0 EDADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)Cn2cc[nH+]c2)c2ccc(Cl)cc2)C1 ZINC000126779330 442141932 /nfs/dbraw/zinc/14/19/32/442141932.db2.gz BAGWPBZLDBLQBX-DOTOQJQBSA-N 2 2 348.834 1.725 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)s1 ZINC000151687000 442106055 /nfs/dbraw/zinc/10/60/55/442106055.db2.gz XEZWTNJLPFJXKI-AWEZNQCLSA-N 2 2 338.473 1.997 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(C)s1 ZINC000151687000 442106060 /nfs/dbraw/zinc/10/60/60/442106060.db2.gz XEZWTNJLPFJXKI-AWEZNQCLSA-N 2 2 338.473 1.997 20 0 EDADLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)C(=O)N1CCOCC1 ZINC000165195088 442207840 /nfs/dbraw/zinc/20/78/40/442207840.db2.gz TVYOYNWPQYMGMR-GOSISDBHSA-N 2 2 346.475 1.273 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152495027 442219931 /nfs/dbraw/zinc/21/99/31/442219931.db2.gz YNDMFGVXEWVFKR-KURKYZTESA-N 2 2 339.524 1.972 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152495027 442219934 /nfs/dbraw/zinc/21/99/34/442219934.db2.gz YNDMFGVXEWVFKR-KURKYZTESA-N 2 2 339.524 1.972 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152495027 442219936 /nfs/dbraw/zinc/21/99/36/442219936.db2.gz YNDMFGVXEWVFKR-KURKYZTESA-N 2 2 339.524 1.972 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152495027 442219938 /nfs/dbraw/zinc/21/99/38/442219938.db2.gz YNDMFGVXEWVFKR-KURKYZTESA-N 2 2 339.524 1.972 20 0 EDADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)C[C@@H](C)O1 ZINC000169200597 442226206 /nfs/dbraw/zinc/22/62/06/442226206.db2.gz SRADQLJUZWQSNH-IOASZLSFSA-N 2 2 335.473 1.897 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCCO[C@H](C)C1 ZINC000170767118 442260621 /nfs/dbraw/zinc/26/06/21/442260621.db2.gz GGDMJQLPFPLUOQ-CVEARBPZSA-N 2 2 332.448 1.230 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCCO[C@H](C)C1 ZINC000170767118 442260622 /nfs/dbraw/zinc/26/06/22/442260622.db2.gz GGDMJQLPFPLUOQ-CVEARBPZSA-N 2 2 332.448 1.230 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOc2ccc(F)cc2)CC1 ZINC000177118953 442300082 /nfs/dbraw/zinc/30/00/82/442300082.db2.gz LAPLSDMCPXBRKW-UHFFFAOYSA-N 2 2 337.439 1.737 20 0 EDADLP CC1(O)CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000177298724 442325875 /nfs/dbraw/zinc/32/58/75/442325875.db2.gz LYPAJMKGNCRASC-UHFFFAOYSA-N 2 2 347.459 1.304 20 0 EDADLP CC(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000177356182 442331740 /nfs/dbraw/zinc/33/17/40/442331740.db2.gz FBBQTZBXAUMWMQ-LJQANCHMSA-N 2 2 345.487 1.833 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000154483492 442341897 /nfs/dbraw/zinc/34/18/97/442341897.db2.gz ZIBDALZQCACOFW-WMZOPIPTSA-N 2 2 346.475 1.138 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000171400781 442345566 /nfs/dbraw/zinc/34/55/66/442345566.db2.gz YIFPKAKHWIOCGY-IAGOWNOFSA-N 2 2 333.501 1.987 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000171400781 442345569 /nfs/dbraw/zinc/34/55/69/442345569.db2.gz YIFPKAKHWIOCGY-IAGOWNOFSA-N 2 2 333.501 1.987 20 0 EDADLP O=C(C[C@@H]1CC[NH2+]C1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000130557084 442349929 /nfs/dbraw/zinc/34/99/29/442349929.db2.gz FZRYGMGEXYEHSN-INIZCTEOSA-N 2 2 347.459 1.013 20 0 EDADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129447641 442316684 /nfs/dbraw/zinc/31/66/84/442316684.db2.gz LJGNZPUDIFNYKE-QLOLRVAOSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154035608 442317667 /nfs/dbraw/zinc/31/76/67/442317667.db2.gz SRTVKVIBUNTMOU-KSZLIROESA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154035608 442317669 /nfs/dbraw/zinc/31/76/69/442317669.db2.gz SRTVKVIBUNTMOU-KSZLIROESA-N 2 2 338.540 1.638 20 0 EDADLP COCC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000171830877 442383935 /nfs/dbraw/zinc/38/39/35/442383935.db2.gz XZODHNVWKHYTEO-UHFFFAOYSA-N 2 2 335.448 1.282 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000171908259 442389982 /nfs/dbraw/zinc/38/99/82/442389982.db2.gz YLCRSQLUHCYGOU-MRXNPFEDSA-N 2 2 345.447 1.553 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000171908259 442389985 /nfs/dbraw/zinc/38/99/85/442389985.db2.gz YLCRSQLUHCYGOU-MRXNPFEDSA-N 2 2 345.447 1.553 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000155372692 442392227 /nfs/dbraw/zinc/39/22/27/442392227.db2.gz WBNKZGAODHXBDE-KRWDZBQOSA-N 2 2 347.507 1.296 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000130912331 442360001 /nfs/dbraw/zinc/36/00/01/442360001.db2.gz KYPWPZCVRZYTJC-HNNXBMFYSA-N 2 2 347.459 1.348 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000133571869 442424420 /nfs/dbraw/zinc/42/44/20/442424420.db2.gz GSLMUVBEVGIZTJ-CQSZACIVSA-N 2 2 346.456 1.996 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172576304 442495606 /nfs/dbraw/zinc/49/56/06/442495606.db2.gz SHJPZGUBIBOFIY-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172576304 442495613 /nfs/dbraw/zinc/49/56/13/442495613.db2.gz SHJPZGUBIBOFIY-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000172576304 442495616 /nfs/dbraw/zinc/49/56/16/442495616.db2.gz SHJPZGUBIBOFIY-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000172576304 442495623 /nfs/dbraw/zinc/49/56/23/442495623.db2.gz SHJPZGUBIBOFIY-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc2[nH+]ccn2c1 ZINC000178735169 442468753 /nfs/dbraw/zinc/46/87/53/442468753.db2.gz ZLIWRRJLBCETCO-DLBZAZTESA-N 2 2 342.443 1.832 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000178759276 442476734 /nfs/dbraw/zinc/47/67/34/442476734.db2.gz IXZXNSQFGKSJFF-UHFFFAOYSA-N 2 2 349.479 1.617 20 0 EDADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178781966 442483916 /nfs/dbraw/zinc/48/39/16/442483916.db2.gz VTZXFROTDQRVNA-RTBURBONSA-N 2 2 342.487 1.015 20 0 EDADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000178781966 442483923 /nfs/dbraw/zinc/48/39/23/442483923.db2.gz VTZXFROTDQRVNA-RTBURBONSA-N 2 2 342.487 1.015 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC000180384099 442591563 /nfs/dbraw/zinc/59/15/63/442591563.db2.gz ZOCCAFYMSSVEMB-HZPDHXFCSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC000180384099 442591568 /nfs/dbraw/zinc/59/15/68/442591568.db2.gz ZOCCAFYMSSVEMB-HZPDHXFCSA-N 2 2 339.480 1.347 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000179293488 442614487 /nfs/dbraw/zinc/61/44/87/442614487.db2.gz SFJZWIHWVVBYGK-NVXWUHKLSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[N@H+]1C ZINC000179293488 442614491 /nfs/dbraw/zinc/61/44/91/442614491.db2.gz SFJZWIHWVVBYGK-NVXWUHKLSA-N 3 2 339.528 1.137 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000181022612 442675086 /nfs/dbraw/zinc/67/50/86/442675086.db2.gz QOALFWNVVMZNLD-LSDHHAIUSA-N 2 2 337.489 1.722 20 0 EDADLP CC(C)[NH+]1CCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000192836933 442691807 /nfs/dbraw/zinc/69/18/07/442691807.db2.gz MCGCFDSQIUQGCN-KRWDZBQOSA-N 2 2 345.491 1.145 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)CC(C)C ZINC000193145696 442717068 /nfs/dbraw/zinc/71/70/68/442717068.db2.gz OUHLEHRCBRHGMJ-IRXDYDNUSA-N 2 2 342.528 1.763 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(N2CCCC2)c1 ZINC000181860173 442719668 /nfs/dbraw/zinc/71/96/68/442719668.db2.gz IAHRWPQCLLOMFT-MRXNPFEDSA-N 2 2 330.476 1.711 20 0 EDADLP COc1cccc([C@@H](CNC(=O)CCc2c[nH+]cn2C)[NH+](C)C)c1 ZINC000188468700 442753221 /nfs/dbraw/zinc/75/32/21/442753221.db2.gz MMBCZMXZPAWHJW-QGZVFWFLSA-N 2 2 330.432 1.780 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000188080750 442708775 /nfs/dbraw/zinc/70/87/75/442708775.db2.gz QGZWXVVBACLFBS-KRWDZBQOSA-N 2 2 326.400 1.467 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182597409 442792958 /nfs/dbraw/zinc/79/29/58/442792958.db2.gz XQIYCAMPLRWGMX-XNHLSEOASA-N 2 2 336.524 1.485 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182597409 442792961 /nfs/dbraw/zinc/79/29/61/442792961.db2.gz XQIYCAMPLRWGMX-XNHLSEOASA-N 2 2 336.524 1.485 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182597409 442792967 /nfs/dbraw/zinc/79/29/67/442792967.db2.gz XQIYCAMPLRWGMX-XNHLSEOASA-N 2 2 336.524 1.485 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182597409 442792970 /nfs/dbraw/zinc/79/29/70/442792970.db2.gz XQIYCAMPLRWGMX-XNHLSEOASA-N 2 2 336.524 1.485 20 0 EDADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000182691800 442808119 /nfs/dbraw/zinc/80/81/19/442808119.db2.gz FIXOYKGMCJDJRS-ZIAGYGMSSA-N 2 2 330.519 1.983 20 0 EDADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000182691800 442808123 /nfs/dbraw/zinc/80/81/23/442808123.db2.gz FIXOYKGMCJDJRS-ZIAGYGMSSA-N 2 2 330.519 1.983 20 0 EDADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)cn1 ZINC000246433631 442781257 /nfs/dbraw/zinc/78/12/57/442781257.db2.gz CTEGMQCGHGGNCW-WBAXXEDZSA-N 2 2 343.475 1.474 20 0 EDADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)cn1 ZINC000246433631 442781260 /nfs/dbraw/zinc/78/12/60/442781260.db2.gz CTEGMQCGHGGNCW-WBAXXEDZSA-N 2 2 343.475 1.474 20 0 EDADLP Cn1cc(N2CC[C@H]([NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)cn1 ZINC000246433631 442781261 /nfs/dbraw/zinc/78/12/61/442781261.db2.gz CTEGMQCGHGGNCW-WBAXXEDZSA-N 2 2 343.475 1.474 20 0 EDADLP Cn1cc(N2CC[C@H]([NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)cn1 ZINC000246433631 442781265 /nfs/dbraw/zinc/78/12/65/442781265.db2.gz CTEGMQCGHGGNCW-WBAXXEDZSA-N 2 2 343.475 1.474 20 0 EDADLP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000268027546 442823077 /nfs/dbraw/zinc/82/30/77/442823077.db2.gz LEMBAYOFBPBFMZ-AWEZNQCLSA-N 2 2 338.521 1.423 20 0 EDADLP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000268027546 442823079 /nfs/dbraw/zinc/82/30/79/442823079.db2.gz LEMBAYOFBPBFMZ-AWEZNQCLSA-N 2 2 338.521 1.423 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)c1sccc1C[NH+](C)C ZINC000268028545 442823112 /nfs/dbraw/zinc/82/31/12/442823112.db2.gz LQNIDCGVTUUEHK-UHFFFAOYSA-N 2 2 338.521 1.519 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1sccc1C[NH+](C)C ZINC000268028545 442823114 /nfs/dbraw/zinc/82/31/14/442823114.db2.gz LQNIDCGVTUUEHK-UHFFFAOYSA-N 2 2 338.521 1.519 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000188967144 442851098 /nfs/dbraw/zinc/85/10/98/442851098.db2.gz WDMXRIZRAGEADQ-BLLLJJGKSA-N 2 2 329.448 1.144 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000188967144 442851100 /nfs/dbraw/zinc/85/11/00/442851100.db2.gz WDMXRIZRAGEADQ-BLLLJJGKSA-N 2 2 329.448 1.144 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000188967086 442851621 /nfs/dbraw/zinc/85/16/21/442851621.db2.gz WDMXRIZRAGEADQ-WBMJQRKESA-N 2 2 329.448 1.144 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000188967086 442851625 /nfs/dbraw/zinc/85/16/25/442851625.db2.gz WDMXRIZRAGEADQ-WBMJQRKESA-N 2 2 329.448 1.144 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)cn21 ZINC000268157552 442875161 /nfs/dbraw/zinc/87/51/61/442875161.db2.gz YYEQMYLPWZBNBG-MLGOLLRUSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cn21 ZINC000268157552 442875164 /nfs/dbraw/zinc/87/51/64/442875164.db2.gz YYEQMYLPWZBNBG-MLGOLLRUSA-N 2 2 327.432 1.925 20 0 EDADLP CCC[C@H](CCO)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179312363 318456623 /nfs/dbraw/zinc/45/66/23/318456623.db2.gz WSUGEXRSJZGYPU-OAHLLOKOSA-N 2 2 328.501 1.110 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@@H+]3CCOCC3(C)C)ccc2[nH+]1 ZINC000265698148 442884366 /nfs/dbraw/zinc/88/43/66/442884366.db2.gz HMFNLXSQCCEZFH-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@H+]3CCOCC3(C)C)ccc2[nH+]1 ZINC000265698148 442884368 /nfs/dbraw/zinc/88/43/68/442884368.db2.gz HMFNLXSQCCEZFH-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP O=C(Cc1ccccc1F)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183167466 442894285 /nfs/dbraw/zinc/89/42/85/442894285.db2.gz NVIXXYQOPXEOBI-UHFFFAOYSA-N 2 2 330.407 1.799 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCOCC3)CC2)CC1 ZINC000183559320 442941513 /nfs/dbraw/zinc/94/15/13/442941513.db2.gz WVODQGXRZKIINT-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268432973 442987255 /nfs/dbraw/zinc/98/72/55/442987255.db2.gz IWVLURGKUDVWRD-INIZCTEOSA-N 2 2 347.459 1.296 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268432973 442987256 /nfs/dbraw/zinc/98/72/56/442987256.db2.gz IWVLURGKUDVWRD-INIZCTEOSA-N 2 2 347.459 1.296 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000249875485 443008493 /nfs/dbraw/zinc/00/84/93/443008493.db2.gz GUPPBOLSUQAGMQ-CXAGYDPISA-N 2 2 328.416 1.774 20 0 EDADLP CCC[C@H](OCC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625504330 450398563 /nfs/dbraw/zinc/39/85/63/450398563.db2.gz VFXGZNNATUYXCC-IRXDYDNUSA-N 2 2 325.497 1.819 20 0 EDADLP CCC[C@H](OCC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625504330 450398567 /nfs/dbraw/zinc/39/85/67/450398567.db2.gz VFXGZNNATUYXCC-IRXDYDNUSA-N 2 2 325.497 1.819 20 0 EDADLP OCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000266189753 443050553 /nfs/dbraw/zinc/05/05/53/443050553.db2.gz XZVLSYPXFLCKDJ-VQIMIIECSA-N 2 2 330.428 1.745 20 0 EDADLP OCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000266189753 443050556 /nfs/dbraw/zinc/05/05/56/443050556.db2.gz XZVLSYPXFLCKDJ-VQIMIIECSA-N 2 2 330.428 1.745 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266237605 443069231 /nfs/dbraw/zinc/06/92/31/443069231.db2.gz OYAIMFCSPIBASH-OAHLLOKOSA-N 2 2 328.416 1.058 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000268915097 443145963 /nfs/dbraw/zinc/14/59/63/443145963.db2.gz SEKCCCVZQODPBA-XUWXXGDYSA-N 2 2 328.460 1.897 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000268915097 443145965 /nfs/dbraw/zinc/14/59/65/443145965.db2.gz SEKCCCVZQODPBA-XUWXXGDYSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000184935519 443102094 /nfs/dbraw/zinc/10/20/94/443102094.db2.gz PFAOOECTQYMGJY-FUHWJXTLSA-N 2 2 330.476 1.138 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000184935519 443102098 /nfs/dbraw/zinc/10/20/98/443102098.db2.gz PFAOOECTQYMGJY-FUHWJXTLSA-N 2 2 330.476 1.138 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000268825412 443120001 /nfs/dbraw/zinc/12/00/01/443120001.db2.gz ITCMOOQMXFDPJK-RLLQIKCJSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000268825412 443120005 /nfs/dbraw/zinc/12/00/05/443120005.db2.gz ITCMOOQMXFDPJK-RLLQIKCJSA-N 3 2 331.504 1.943 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nccc(OC)c3OC)C2)CC1 ZINC000190531026 443129205 /nfs/dbraw/zinc/12/92/05/443129205.db2.gz KOCYHVNZNRMNTJ-OAHLLOKOSA-N 2 2 334.464 1.311 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nccc(OC)c3OC)C2)CC1 ZINC000190531026 443129210 /nfs/dbraw/zinc/12/92/10/443129210.db2.gz KOCYHVNZNRMNTJ-OAHLLOKOSA-N 2 2 334.464 1.311 20 0 EDADLP Cc1nn(C)c2ncc(C[NH2+]CCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000237407444 443170987 /nfs/dbraw/zinc/17/09/87/443170987.db2.gz LKODSHPMINZLFT-ZIAGYGMSSA-N 2 2 331.464 1.866 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000261852487 443171902 /nfs/dbraw/zinc/17/19/02/443171902.db2.gz NEPZHUBANSNUTQ-IEBWSBKVSA-N 2 2 345.487 1.874 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC[N@@H+]1C ZINC000185344990 443186332 /nfs/dbraw/zinc/18/63/32/443186332.db2.gz IXAHXJGHMTUHSM-NEWSRXKRSA-N 2 2 345.487 1.529 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC[N@H+]1C ZINC000185344990 443186335 /nfs/dbraw/zinc/18/63/35/443186335.db2.gz IXAHXJGHMTUHSM-NEWSRXKRSA-N 2 2 345.487 1.529 20 0 EDADLP CC(C)[C@H](CCO)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269213563 443235404 /nfs/dbraw/zinc/23/54/04/443235404.db2.gz JABJFBRIRCZCBL-ROUUACIJSA-N 2 2 344.459 1.324 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000269135527 443208987 /nfs/dbraw/zinc/20/89/87/443208987.db2.gz QZZWLCBQYNFEHR-UHFFFAOYSA-N 2 2 341.459 1.838 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000384270000 319126379 /nfs/dbraw/zinc/12/63/79/319126379.db2.gz REZWSKPNBAULGL-MAUKXSAKSA-N 2 2 331.460 1.523 20 0 EDADLP COCC(COC)[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000411861774 319207668 /nfs/dbraw/zinc/20/76/68/319207668.db2.gz NWMBFDQMSOJHQQ-UHFFFAOYSA-N 2 2 337.464 1.486 20 0 EDADLP Cc1nc(N2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)cc[nH+]1 ZINC000415960896 319385200 /nfs/dbraw/zinc/38/52/00/319385200.db2.gz QSJRBIIONCBOSE-UHFFFAOYSA-N 2 2 326.404 1.598 20 0 EDADLP CCCNC(=O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266931911 443294492 /nfs/dbraw/zinc/29/44/92/443294492.db2.gz OYMSNIFRKXGVIL-UHFFFAOYSA-N 2 2 348.491 1.275 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000264359432 443261809 /nfs/dbraw/zinc/26/18/09/443261809.db2.gz CASGHILTKJUEFL-KRWDZBQOSA-N 2 2 344.503 1.648 20 0 EDADLP COC1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC[NH2+]CC1 ZINC000269276527 443263600 /nfs/dbraw/zinc/26/36/00/443263600.db2.gz XOAYCZGJEDKBLA-HNNXBMFYSA-N 2 2 347.459 1.787 20 0 EDADLP CC(C)c1nnc(/C=C/C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000269287715 443267443 /nfs/dbraw/zinc/26/74/43/443267443.db2.gz ODLCXIXQXWNQIJ-VOTSOKGWSA-N 2 2 349.479 1.691 20 0 EDADLP CC(C)c1nnc(/C=C/C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000269287715 443267446 /nfs/dbraw/zinc/26/74/46/443267446.db2.gz ODLCXIXQXWNQIJ-VOTSOKGWSA-N 2 2 349.479 1.691 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000266954807 443301987 /nfs/dbraw/zinc/30/19/87/443301987.db2.gz VJOYJRBFTYQKLU-UHFFFAOYSA-N 2 2 344.415 1.740 20 0 EDADLP [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416886604 319469428 /nfs/dbraw/zinc/46/94/28/319469428.db2.gz GXSKWUAJZLWBHR-IRXDYDNUSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@@H]1C ZINC000416909321 319471938 /nfs/dbraw/zinc/47/19/38/319471938.db2.gz FYVDFGSXYYAJAH-HUUCEWRRSA-N 2 2 327.432 1.823 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1C ZINC000264701003 443381854 /nfs/dbraw/zinc/38/18/54/443381854.db2.gz AODWICVHJKXIOW-HNNXBMFYSA-N 2 2 349.479 1.094 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1C ZINC000264701003 443381855 /nfs/dbraw/zinc/38/18/55/443381855.db2.gz AODWICVHJKXIOW-HNNXBMFYSA-N 2 2 349.479 1.094 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000278539853 443357787 /nfs/dbraw/zinc/35/77/87/443357787.db2.gz GGRBFSKORCXOAF-INIZCTEOSA-N 2 2 333.432 1.528 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000420446555 319620675 /nfs/dbraw/zinc/62/06/75/319620675.db2.gz OUUNCZFDOKRFRT-CYBMUJFWSA-N 2 2 347.431 1.271 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2ccc(O)cc2)CC1 ZINC000267300485 443410690 /nfs/dbraw/zinc/41/06/90/443410690.db2.gz KMDOCRGNKJPGJC-UHFFFAOYSA-N 2 2 334.464 1.260 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000270929650 443484156 /nfs/dbraw/zinc/48/41/56/443484156.db2.gz DXRZUIGIHLLQFH-AEFFLSMTSA-N 2 2 331.460 1.470 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000270929650 443484160 /nfs/dbraw/zinc/48/41/60/443484160.db2.gz DXRZUIGIHLLQFH-AEFFLSMTSA-N 2 2 331.460 1.470 20 0 EDADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000271361593 443501936 /nfs/dbraw/zinc/50/19/36/443501936.db2.gz PQPYRGRHYCIXNF-LSDHHAIUSA-N 2 2 336.436 1.121 20 0 EDADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000271361593 443501938 /nfs/dbraw/zinc/50/19/38/443501938.db2.gz PQPYRGRHYCIXNF-LSDHHAIUSA-N 2 2 336.436 1.121 20 0 EDADLP CCCNC(=O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271237560 443497237 /nfs/dbraw/zinc/49/72/37/443497237.db2.gz CYQWWJUCNGGGAL-IBGZPJMESA-N 2 2 344.503 1.405 20 0 EDADLP CCCNC(=O)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271237560 443497238 /nfs/dbraw/zinc/49/72/38/443497238.db2.gz CYQWWJUCNGGGAL-IBGZPJMESA-N 2 2 344.503 1.405 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCSC1 ZINC000272291534 443582094 /nfs/dbraw/zinc/58/20/94/443582094.db2.gz HDVXOUQUUWSGHL-MRXNPFEDSA-N 2 2 331.445 1.434 20 0 EDADLP C[C@@H](CC(=O)N(C)C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272179944 443549154 /nfs/dbraw/zinc/54/91/54/443549154.db2.gz FQQAGGMWFZOGAU-AWEZNQCLSA-N 2 2 333.480 1.891 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1C ZINC000433491282 319980086 /nfs/dbraw/zinc/98/00/86/319980086.db2.gz NCLOQFYJFRPRIJ-HZPDHXFCSA-N 2 2 331.464 1.110 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1)[NH+](CC)CC ZINC000276167927 443660608 /nfs/dbraw/zinc/66/06/08/443660608.db2.gz BBNZONROVREKQM-CABCVRRESA-N 2 2 348.495 1.212 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1)[NH+](CC)CC ZINC000276167927 443660610 /nfs/dbraw/zinc/66/06/10/443660610.db2.gz BBNZONROVREKQM-CABCVRRESA-N 2 2 348.495 1.212 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000276171459 443661004 /nfs/dbraw/zinc/66/10/04/443661004.db2.gz VMDFQNJCBSYKSM-UHFFFAOYSA-N 2 2 349.479 1.401 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000440263188 320067029 /nfs/dbraw/zinc/06/70/29/320067029.db2.gz ZOXLZEDRDOVANS-NEWSRXKRSA-N 2 2 349.519 1.963 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000440263188 320067032 /nfs/dbraw/zinc/06/70/32/320067032.db2.gz ZOXLZEDRDOVANS-NEWSRXKRSA-N 2 2 349.519 1.963 20 0 EDADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441037447 320086477 /nfs/dbraw/zinc/08/64/77/320086477.db2.gz STWADPSKZCGLRN-KRWDZBQOSA-N 2 2 338.540 1.734 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N)([NH+]2CCCCC2)CC1 ZINC000444272047 320124044 /nfs/dbraw/zinc/12/40/44/320124044.db2.gz VZOINGXLGPEIIW-UHFFFAOYSA-N 2 2 331.464 1.174 20 0 EDADLP CC(C)O[C@@]1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCOC1 ZINC000448974627 320167960 /nfs/dbraw/zinc/16/79/60/320167960.db2.gz LKKHAAPGQLFNRO-SFHVURJKSA-N 2 2 341.496 1.055 20 0 EDADLP CC(C)O[C@@]1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCOC1 ZINC000448974627 320167962 /nfs/dbraw/zinc/16/79/62/320167962.db2.gz LKKHAAPGQLFNRO-SFHVURJKSA-N 2 2 341.496 1.055 20 0 EDADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389604 320187017 /nfs/dbraw/zinc/18/70/17/320187017.db2.gz DFJGHTGLRGNXNR-CVEARBPZSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389604 320187020 /nfs/dbraw/zinc/18/70/20/320187020.db2.gz DFJGHTGLRGNXNR-CVEARBPZSA-N 2 2 349.475 1.849 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449396825 320188212 /nfs/dbraw/zinc/18/82/12/320188212.db2.gz SYBIEXVNXGFWTF-DLBZAZTESA-N 2 2 325.497 1.604 20 0 EDADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449396825 320188214 /nfs/dbraw/zinc/18/82/14/320188214.db2.gz SYBIEXVNXGFWTF-DLBZAZTESA-N 2 2 325.497 1.604 20 0 EDADLP Cc1cccc2c1C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)O2 ZINC000450048126 320210489 /nfs/dbraw/zinc/21/04/89/320210489.db2.gz WEKRVJRJCGDRPS-SFHVURJKSA-N 2 2 331.460 1.441 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(-n2ccnn2)c1 ZINC000453264297 320261452 /nfs/dbraw/zinc/26/14/52/320261452.db2.gz MMMYMMJXLICYBR-YJBOKZPZSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(-n2ccnn2)c1 ZINC000453264297 320261453 /nfs/dbraw/zinc/26/14/53/320261453.db2.gz MMMYMMJXLICYBR-YJBOKZPZSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(-n2cnnn2)cc1 ZINC000453263919 320261613 /nfs/dbraw/zinc/26/16/13/320261613.db2.gz UNVOTOMPJOOYMY-PBHICJAKSA-N 2 2 330.436 1.160 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(-n2cnnn2)cc1 ZINC000453263919 320261614 /nfs/dbraw/zinc/26/16/14/320261614.db2.gz UNVOTOMPJOOYMY-PBHICJAKSA-N 2 2 330.436 1.160 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C2C[NH+](C3CCCCC3)C2)no1 ZINC000457509055 320328866 /nfs/dbraw/zinc/32/88/66/320328866.db2.gz AHAWHBBONDFJFR-UHFFFAOYSA-N 2 2 349.479 1.747 20 0 EDADLP COCC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H]1CCOC1 ZINC000490050619 320362818 /nfs/dbraw/zinc/36/28/18/320362818.db2.gz QSQDYHBDIWMEHE-SJORKVTESA-N 2 2 347.459 1.751 20 0 EDADLP COCC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H]1CCOC1 ZINC000490050619 320362819 /nfs/dbraw/zinc/36/28/19/320362819.db2.gz QSQDYHBDIWMEHE-SJORKVTESA-N 2 2 347.459 1.751 20 0 EDADLP C[C@H]1CN(C(=O)NCC2CC(F)(F)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000490824525 320363167 /nfs/dbraw/zinc/36/31/67/320363167.db2.gz NHNZZHCGNCRLEC-ZDUSSCGKSA-N 2 2 344.450 1.842 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491247701 320367429 /nfs/dbraw/zinc/36/74/29/320367429.db2.gz QSGARAWAGYTVBB-INIZCTEOSA-N 2 2 329.448 1.527 20 0 EDADLP OCCO[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286334896 443693026 /nfs/dbraw/zinc/69/30/26/443693026.db2.gz IGUIYGQGNICONR-HXUWFJFHSA-N 2 2 347.503 1.672 20 0 EDADLP OCCO[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286334896 443693029 /nfs/dbraw/zinc/69/30/29/443693029.db2.gz IGUIYGQGNICONR-HXUWFJFHSA-N 2 2 347.503 1.672 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](CCOCCO)C(C)C)c2cc1C ZINC000283747984 443705248 /nfs/dbraw/zinc/70/52/48/443705248.db2.gz JZZHKLBBLPUBGX-QGZVFWFLSA-N 2 2 349.475 1.733 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CCOCCO)C(C)C)c2cc1C ZINC000283747984 443705252 /nfs/dbraw/zinc/70/52/52/443705252.db2.gz JZZHKLBBLPUBGX-QGZVFWFLSA-N 2 2 349.475 1.733 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000286410045 443709550 /nfs/dbraw/zinc/70/95/50/443709550.db2.gz NWQOBCHEMDRZGU-UHFFFAOYSA-N 2 2 329.408 1.497 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000286410045 443709554 /nfs/dbraw/zinc/70/95/54/443709554.db2.gz NWQOBCHEMDRZGU-UHFFFAOYSA-N 2 2 329.408 1.497 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC([NH2+]CCO)CC1 ZINC000290995830 443728871 /nfs/dbraw/zinc/72/88/71/443728871.db2.gz UMIJAJFNGYQTBX-UHFFFAOYSA-N 2 2 343.427 1.962 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000276544187 443741721 /nfs/dbraw/zinc/74/17/21/443741721.db2.gz FHEJSPAMYZPQBW-OAHLLOKOSA-N 2 2 328.420 1.010 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276570630 443750051 /nfs/dbraw/zinc/75/00/51/443750051.db2.gz SZJPLACYXOBKLM-LSDHHAIUSA-N 2 2 334.468 1.033 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276570630 443750054 /nfs/dbraw/zinc/75/00/54/443750054.db2.gz SZJPLACYXOBKLM-LSDHHAIUSA-N 2 2 334.468 1.033 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000292048762 443774993 /nfs/dbraw/zinc/77/49/93/443774993.db2.gz RKACMVWXMDGBCO-UHFFFAOYSA-N 2 2 333.461 1.552 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000276834309 443846097 /nfs/dbraw/zinc/84/60/97/443846097.db2.gz IBNQIPRMCQLGSR-AWEZNQCLSA-N 2 2 328.420 1.270 20 0 EDADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000292976549 443893353 /nfs/dbraw/zinc/89/33/53/443893353.db2.gz MRTIXGUPFOEWDL-SFHVURJKSA-N 2 2 347.459 1.834 20 0 EDADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H](O)COc1ccc(CCOC)cc1 ZINC000292976549 443893355 /nfs/dbraw/zinc/89/33/55/443893355.db2.gz MRTIXGUPFOEWDL-SFHVURJKSA-N 2 2 347.459 1.834 20 0 EDADLP CC(C)N(C)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000276939218 443877320 /nfs/dbraw/zinc/87/73/20/443877320.db2.gz GBNWBITVUANBKZ-MRXNPFEDSA-N 2 2 333.480 1.356 20 0 EDADLP CC(C)N(C)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000276939218 443877328 /nfs/dbraw/zinc/87/73/28/443877328.db2.gz GBNWBITVUANBKZ-MRXNPFEDSA-N 2 2 333.480 1.356 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)[N@H+](C)C1 ZINC000285317349 443940458 /nfs/dbraw/zinc/94/04/58/443940458.db2.gz UGZQMBOJZURUCH-IRXDYDNUSA-N 2 2 328.416 1.663 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)[N@@H+](C)C1 ZINC000285317349 443940462 /nfs/dbraw/zinc/94/04/62/443940462.db2.gz UGZQMBOJZURUCH-IRXDYDNUSA-N 2 2 328.416 1.663 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)OCCO2 ZINC000299093631 443952600 /nfs/dbraw/zinc/95/26/00/443952600.db2.gz NNXHBQFHOWGNMS-UHFFFAOYSA-N 2 2 347.459 1.556 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)OCCO2 ZINC000299093631 443952605 /nfs/dbraw/zinc/95/26/05/443952605.db2.gz NNXHBQFHOWGNMS-UHFFFAOYSA-N 2 2 347.459 1.556 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1c1ccccc1 ZINC000285461722 443993840 /nfs/dbraw/zinc/99/38/40/443993840.db2.gz QTJSUTSGLWNGMU-HKUYNNGSSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2[nH+]c[nH]c2C)[C@@H]1c1ccccc1 ZINC000285461722 443993850 /nfs/dbraw/zinc/99/38/50/443993850.db2.gz QTJSUTSGLWNGMU-HKUYNNGSSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)Cc2[nH+]c[nH]c2C)[C@@H]1c1ccccc1 ZINC000285461722 443993856 /nfs/dbraw/zinc/99/38/56/443993856.db2.gz QTJSUTSGLWNGMU-HKUYNNGSSA-N 2 2 342.443 1.839 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285370957 443959381 /nfs/dbraw/zinc/95/93/81/443959381.db2.gz AWDQFJRPVYHHIL-HNAYVOBHSA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285370957 443959384 /nfs/dbraw/zinc/95/93/84/443959384.db2.gz AWDQFJRPVYHHIL-HNAYVOBHSA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285370957 443959387 /nfs/dbraw/zinc/95/93/87/443959387.db2.gz AWDQFJRPVYHHIL-HNAYVOBHSA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285370957 443959389 /nfs/dbraw/zinc/95/93/89/443959389.db2.gz AWDQFJRPVYHHIL-HNAYVOBHSA-N 2 2 344.459 1.429 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299398255 444037289 /nfs/dbraw/zinc/03/72/89/444037289.db2.gz UQLXKLMTUIJZEX-AWEZNQCLSA-N 2 2 343.431 1.367 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299398255 444037293 /nfs/dbraw/zinc/03/72/93/444037293.db2.gz UQLXKLMTUIJZEX-AWEZNQCLSA-N 2 2 343.431 1.367 20 0 EDADLP Nc1[nH+]cnc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1Cl ZINC000277833729 444048414 /nfs/dbraw/zinc/04/84/14/444048414.db2.gz PSWPJHNGLKAKEM-CYBMUJFWSA-N 2 2 333.823 1.891 20 0 EDADLP Nc1[nH+]cnc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1Cl ZINC000277833729 444048417 /nfs/dbraw/zinc/04/84/17/444048417.db2.gz PSWPJHNGLKAKEM-CYBMUJFWSA-N 2 2 333.823 1.891 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000289091332 444051434 /nfs/dbraw/zinc/05/14/34/444051434.db2.gz OTYDUZMNOMSLKL-AWEZNQCLSA-N 2 2 334.468 1.287 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000289091332 444051439 /nfs/dbraw/zinc/05/14/39/444051439.db2.gz OTYDUZMNOMSLKL-AWEZNQCLSA-N 2 2 334.468 1.287 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285525182 444016426 /nfs/dbraw/zinc/01/64/26/444016426.db2.gz OPVYLKOPELFOJW-YIONKMFJSA-N 2 2 345.443 1.969 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285525182 444016429 /nfs/dbraw/zinc/01/64/29/444016429.db2.gz OPVYLKOPELFOJW-YIONKMFJSA-N 2 2 345.443 1.969 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285525182 444016432 /nfs/dbraw/zinc/01/64/32/444016432.db2.gz OPVYLKOPELFOJW-YIONKMFJSA-N 2 2 345.443 1.969 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285525182 444016435 /nfs/dbraw/zinc/01/64/35/444016435.db2.gz OPVYLKOPELFOJW-YIONKMFJSA-N 2 2 345.443 1.969 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000299492356 444062036 /nfs/dbraw/zinc/06/20/36/444062036.db2.gz NWCOGORLLWUYRS-ZDUSSCGKSA-N 2 2 347.488 1.999 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000299492356 444062041 /nfs/dbraw/zinc/06/20/41/444062041.db2.gz NWCOGORLLWUYRS-ZDUSSCGKSA-N 2 2 347.488 1.999 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557355271 321002968 /nfs/dbraw/zinc/00/29/68/321002968.db2.gz QREQZCYUVZEZGY-CYBMUJFWSA-N 2 2 329.404 1.121 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC[C@@H]21 ZINC000557384672 321003597 /nfs/dbraw/zinc/00/35/97/321003597.db2.gz BWJHHDHIEOXDCC-ZFWWWQNUSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc4[nH+]ccn4c3)CC[C@@H]21 ZINC000557384672 321003598 /nfs/dbraw/zinc/00/35/98/321003598.db2.gz BWJHHDHIEOXDCC-ZFWWWQNUSA-N 2 2 341.415 1.216 20 0 EDADLP C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000562995032 321086849 /nfs/dbraw/zinc/08/68/49/321086849.db2.gz GXXSBTILVVQVDM-FXAWDEMLSA-N 2 2 346.519 1.242 20 0 EDADLP C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000562995032 321086850 /nfs/dbraw/zinc/08/68/50/321086850.db2.gz GXXSBTILVVQVDM-FXAWDEMLSA-N 2 2 346.519 1.242 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000562995032 321086851 /nfs/dbraw/zinc/08/68/51/321086851.db2.gz GXXSBTILVVQVDM-FXAWDEMLSA-N 2 2 346.519 1.242 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000562995032 321086852 /nfs/dbraw/zinc/08/68/52/321086852.db2.gz GXXSBTILVVQVDM-FXAWDEMLSA-N 2 2 346.519 1.242 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)COc1ccc2c(c1)OCO2 ZINC000564444815 321132095 /nfs/dbraw/zinc/13/20/95/321132095.db2.gz SXIHRYYBUUEOIT-BMFZPTHFSA-N 2 2 334.416 1.371 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)COc1ccc2c(c1)OCO2 ZINC000564444815 321132096 /nfs/dbraw/zinc/13/20/96/321132096.db2.gz SXIHRYYBUUEOIT-BMFZPTHFSA-N 2 2 334.416 1.371 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)c2cc1C ZINC000564880060 321153580 /nfs/dbraw/zinc/15/35/80/321153580.db2.gz NISHDNSYLSOHOV-HUUCEWRRSA-N 2 2 340.431 1.622 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](c4nnc[nH]4)C3)c2cc1C ZINC000564880060 321153582 /nfs/dbraw/zinc/15/35/82/321153582.db2.gz NISHDNSYLSOHOV-HUUCEWRRSA-N 2 2 340.431 1.622 20 0 EDADLP Cn1c2ccccc2nc1CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000565048976 321167003 /nfs/dbraw/zinc/16/70/03/321167003.db2.gz OEGVPSHUOOZQNI-UHFFFAOYSA-N 2 2 342.487 1.942 20 0 EDADLP C[NH+]1CCC(CNC(=O)Cc2ccccc2N)([NH+]2CCCCC2)CC1 ZINC000565477600 321188108 /nfs/dbraw/zinc/18/81/08/321188108.db2.gz JIARCBPFENWUAQ-UHFFFAOYSA-N 2 2 344.503 1.878 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000565693188 321197773 /nfs/dbraw/zinc/19/77/73/321197773.db2.gz JQYILWBNTLCWPR-OAGGEKHMSA-N 2 2 348.516 1.945 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000565939183 321207232 /nfs/dbraw/zinc/20/72/32/321207232.db2.gz YAWPQBNUXPQKTI-MRXNPFEDSA-N 2 2 328.372 1.984 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000565958907 321207989 /nfs/dbraw/zinc/20/79/89/321207989.db2.gz GRKHXEJETZDPLR-DZGCQCFKSA-N 2 2 332.448 1.115 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000565958907 321207991 /nfs/dbraw/zinc/20/79/91/321207991.db2.gz GRKHXEJETZDPLR-DZGCQCFKSA-N 2 2 332.448 1.115 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000566291169 321225766 /nfs/dbraw/zinc/22/57/66/321225766.db2.gz FKJOPCGLDXIJMV-HNNXBMFYSA-N 2 2 344.484 1.894 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000567657437 321250953 /nfs/dbraw/zinc/25/09/53/321250953.db2.gz QBRSXZBLFYZSOQ-BZUAXINKSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000567657437 321250955 /nfs/dbraw/zinc/25/09/55/321250955.db2.gz QBRSXZBLFYZSOQ-BZUAXINKSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+]1CC(C)C1 ZINC000568184149 321279028 /nfs/dbraw/zinc/27/90/28/321279028.db2.gz MSWLGMZPWLVIRD-MRXNPFEDSA-N 2 2 326.444 1.930 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000568701686 321301999 /nfs/dbraw/zinc/30/19/99/321301999.db2.gz JICAKHJWVOVPCH-UHFFFAOYSA-N 2 2 344.459 1.296 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000568701686 321302001 /nfs/dbraw/zinc/30/20/01/321302001.db2.gz JICAKHJWVOVPCH-UHFFFAOYSA-N 2 2 344.459 1.296 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1)n1cc[nH+]c1 ZINC000569491829 321328062 /nfs/dbraw/zinc/32/80/62/321328062.db2.gz PRESWJDBPPLXKF-GOEBONIOSA-N 2 2 346.431 1.774 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000570083691 321336938 /nfs/dbraw/zinc/33/69/38/321336938.db2.gz NBIBRGOVAWWRKY-LSDHHAIUSA-N 2 2 331.416 1.443 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000570083691 321336940 /nfs/dbraw/zinc/33/69/40/321336940.db2.gz NBIBRGOVAWWRKY-LSDHHAIUSA-N 2 2 331.416 1.443 20 0 EDADLP CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000570509031 321343450 /nfs/dbraw/zinc/34/34/50/321343450.db2.gz RPBCJCIMSLMYBD-JKSUJKDBSA-N 2 2 344.459 1.615 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000570693762 321353965 /nfs/dbraw/zinc/35/39/65/321353965.db2.gz UWFMLFCQAWYEND-ROUUACIJSA-N 2 2 339.443 1.682 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)ccc2n1C ZINC000571027877 321367976 /nfs/dbraw/zinc/36/79/76/321367976.db2.gz TXSZKZAMYUAOSO-HNNXBMFYSA-N 2 2 343.431 1.454 20 0 EDADLP O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282182351 444107659 /nfs/dbraw/zinc/10/76/59/444107659.db2.gz VVOUGDNRAIKNQZ-AWEZNQCLSA-N 2 2 345.447 1.341 20 0 EDADLP O=C1CNC(=O)N1CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282182351 444107662 /nfs/dbraw/zinc/10/76/62/444107662.db2.gz VVOUGDNRAIKNQZ-AWEZNQCLSA-N 2 2 345.447 1.341 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000278305439 444134659 /nfs/dbraw/zinc/13/46/59/444134659.db2.gz BNXSDWCRARQSCM-UHFFFAOYSA-N 2 2 325.416 1.872 20 0 EDADLP Cc1cc(N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c2cccc(F)c2[nH+]1 ZINC000282301021 444142249 /nfs/dbraw/zinc/14/22/49/444142249.db2.gz RMJNVNGULDERJW-ZDUSSCGKSA-N 2 2 346.406 1.305 20 0 EDADLP Cc1cc(N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c2cccc(F)c2[nH+]1 ZINC000282301021 444142252 /nfs/dbraw/zinc/14/22/52/444142252.db2.gz RMJNVNGULDERJW-ZDUSSCGKSA-N 2 2 346.406 1.305 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)C1CC1 ZINC000289468098 444151530 /nfs/dbraw/zinc/15/15/30/444151530.db2.gz WQSJLIPEGMNTSA-MOPGFXCFSA-N 2 2 341.455 1.634 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)C1CC1 ZINC000289468098 444151533 /nfs/dbraw/zinc/15/15/33/444151533.db2.gz WQSJLIPEGMNTSA-MOPGFXCFSA-N 2 2 341.455 1.634 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000285837276 444124148 /nfs/dbraw/zinc/12/41/48/444124148.db2.gz VXMMTHXDIHZSHQ-PKOBYXMFSA-N 2 2 344.503 1.008 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000285837276 444124151 /nfs/dbraw/zinc/12/41/51/444124151.db2.gz VXMMTHXDIHZSHQ-PKOBYXMFSA-N 2 2 344.503 1.008 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)[C@@H]2C)CC1 ZINC000296220588 444213099 /nfs/dbraw/zinc/21/30/99/444213099.db2.gz MTIBELNBIVVDRZ-PKOBYXMFSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)[C@@H]2C)CC1 ZINC000296220588 444213100 /nfs/dbraw/zinc/21/31/00/444213100.db2.gz MTIBELNBIVVDRZ-PKOBYXMFSA-N 2 2 345.487 1.484 20 0 EDADLP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1COc2ccccc2O1 ZINC000289921651 444219667 /nfs/dbraw/zinc/21/96/67/444219667.db2.gz OOMLHVWDJDVFKZ-IAGOWNOFSA-N 2 2 334.460 1.994 20 0 EDADLP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1COc2ccccc2O1 ZINC000289921651 444219669 /nfs/dbraw/zinc/21/96/69/444219669.db2.gz OOMLHVWDJDVFKZ-IAGOWNOFSA-N 2 2 334.460 1.994 20 0 EDADLP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1COc2ccccc2O1 ZINC000289921651 444219670 /nfs/dbraw/zinc/21/96/70/444219670.db2.gz OOMLHVWDJDVFKZ-IAGOWNOFSA-N 2 2 334.460 1.994 20 0 EDADLP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1COc2ccccc2O1 ZINC000289921651 444219671 /nfs/dbraw/zinc/21/96/71/444219671.db2.gz OOMLHVWDJDVFKZ-IAGOWNOFSA-N 2 2 334.460 1.994 20 0 EDADLP C[N@H+](C[C@@H](O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1)C1CC1 ZINC000289597937 444179139 /nfs/dbraw/zinc/17/91/39/444179139.db2.gz SRVGEOWESFZDQJ-QGZVFWFLSA-N 2 2 344.434 1.825 20 0 EDADLP C[N@@H+](C[C@@H](O)CN1CCc2c([nH+]cn2-c2ccc(F)cc2)C1)C1CC1 ZINC000289597937 444179141 /nfs/dbraw/zinc/17/91/41/444179141.db2.gz SRVGEOWESFZDQJ-QGZVFWFLSA-N 2 2 344.434 1.825 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@@H+](C2CC2)C1 ZINC000295360748 444180273 /nfs/dbraw/zinc/18/02/73/444180273.db2.gz NZUPXEGWCCCQHE-CQSZACIVSA-N 2 2 325.416 1.824 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@H+](C2CC2)C1 ZINC000295360748 444180274 /nfs/dbraw/zinc/18/02/74/444180274.db2.gz NZUPXEGWCCCQHE-CQSZACIVSA-N 2 2 325.416 1.824 20 0 EDADLP Cc1cc(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000301669955 444184802 /nfs/dbraw/zinc/18/48/02/444184802.db2.gz YJHCFOGSCWXLPJ-HNNXBMFYSA-N 2 2 331.464 1.651 20 0 EDADLP Cc1cccc2c(N3CC[NH+]([C@@H]4CCS(=O)(=O)C4)CC3)cc[nH+]c12 ZINC000301743842 444188520 /nfs/dbraw/zinc/18/85/20/444188520.db2.gz WDEVHVXKVSUFCN-OAHLLOKOSA-N 2 2 345.468 1.852 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)Cc3c[nH+]cn3C)CCCC2)CC1 ZINC000576252307 321551365 /nfs/dbraw/zinc/55/13/65/321551365.db2.gz QSRRWHUTVXVGJY-UHFFFAOYSA-N 2 2 334.464 1.502 20 0 EDADLP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000289720536 444194910 /nfs/dbraw/zinc/19/49/10/444194910.db2.gz GUPRYVWGHGFBJK-KSSFIOAISA-N 2 2 329.448 1.715 20 0 EDADLP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000289720536 444194912 /nfs/dbraw/zinc/19/49/12/444194912.db2.gz GUPRYVWGHGFBJK-KSSFIOAISA-N 2 2 329.448 1.715 20 0 EDADLP C[C@@H](c1ccc(-n2cncn2)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289720536 444194913 /nfs/dbraw/zinc/19/49/13/444194913.db2.gz GUPRYVWGHGFBJK-KSSFIOAISA-N 2 2 329.448 1.715 20 0 EDADLP C[C@@H](c1ccc(-n2cncn2)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289720536 444194915 /nfs/dbraw/zinc/19/49/15/444194915.db2.gz GUPRYVWGHGFBJK-KSSFIOAISA-N 2 2 329.448 1.715 20 0 EDADLP COCCOCc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000289760723 444200022 /nfs/dbraw/zinc/20/00/22/444200022.db2.gz OOPFXFOHOOCFNC-SFHVURJKSA-N 2 2 349.475 1.279 20 0 EDADLP COCCOCc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000289760723 444200023 /nfs/dbraw/zinc/20/00/23/444200023.db2.gz OOPFXFOHOOCFNC-SFHVURJKSA-N 2 2 349.475 1.279 20 0 EDADLP NC(=O)c1c[nH+]ccc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000302048203 444202122 /nfs/dbraw/zinc/20/21/22/444202122.db2.gz VZMFOQSTPBLZMP-QZTJIDSGSA-N 2 2 338.411 1.270 20 0 EDADLP NC(=O)c1c[nH+]ccc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000302048203 444202124 /nfs/dbraw/zinc/20/21/24/444202124.db2.gz VZMFOQSTPBLZMP-QZTJIDSGSA-N 2 2 338.411 1.270 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nn1 ZINC000290151128 444248682 /nfs/dbraw/zinc/24/86/82/444248682.db2.gz OZPNBEYAXIMHHN-ZFWWWQNUSA-N 2 2 335.431 1.295 20 0 EDADLP CCOC(=O)c1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000290348200 444270036 /nfs/dbraw/zinc/27/00/36/444270036.db2.gz KLHIZHBMEWWIED-UHFFFAOYSA-N 2 2 347.459 1.619 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000296427142 444228855 /nfs/dbraw/zinc/22/88/55/444228855.db2.gz SYFIHSKWOPIFHU-UHFFFAOYSA-N 2 2 345.447 1.843 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]21 ZINC000302879828 444229267 /nfs/dbraw/zinc/22/92/67/444229267.db2.gz HDNFKNHDOQDFTO-CABCVRRESA-N 2 2 333.505 1.950 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]21 ZINC000302879828 444229269 /nfs/dbraw/zinc/22/92/69/444229269.db2.gz HDNFKNHDOQDFTO-CABCVRRESA-N 2 2 333.505 1.950 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)CC[C@@H]21 ZINC000302879828 444229271 /nfs/dbraw/zinc/22/92/71/444229271.db2.gz HDNFKNHDOQDFTO-CABCVRRESA-N 2 2 333.505 1.950 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)CC[C@@H]21 ZINC000302879828 444229272 /nfs/dbraw/zinc/22/92/72/444229272.db2.gz HDNFKNHDOQDFTO-CABCVRRESA-N 2 2 333.505 1.950 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000303115393 444234545 /nfs/dbraw/zinc/23/45/45/444234545.db2.gz SAWNMWINNREHMS-MJGOQNOKSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000303115393 444234547 /nfs/dbraw/zinc/23/45/47/444234547.db2.gz SAWNMWINNREHMS-MJGOQNOKSA-N 2 2 348.487 1.920 20 0 EDADLP CC[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@@H+]1C[C@H](C)O ZINC000290641082 444304938 /nfs/dbraw/zinc/30/49/38/444304938.db2.gz JNAQTHWAINDDSF-ZFWWWQNUSA-N 2 2 331.420 1.643 20 0 EDADLP CC[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[N@H+]1C[C@H](C)O ZINC000290641082 444304939 /nfs/dbraw/zinc/30/49/39/444304939.db2.gz JNAQTHWAINDDSF-ZFWWWQNUSA-N 2 2 331.420 1.643 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)Cn2cc[nH+]c2C)[NH+]2CCOCC2)s1 ZINC000297297612 444281742 /nfs/dbraw/zinc/28/17/42/444281742.db2.gz DVXAVQZTEPWCMZ-OAHLLOKOSA-N 2 2 348.472 1.751 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000340516698 444421611 /nfs/dbraw/zinc/42/16/11/444421611.db2.gz IYMGUUYYTVBSAN-XMTFNYHQSA-N 2 2 349.519 1.866 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000340516698 444421615 /nfs/dbraw/zinc/42/16/15/444421615.db2.gz IYMGUUYYTVBSAN-XMTFNYHQSA-N 2 2 349.519 1.866 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc1 ZINC000326630157 444377332 /nfs/dbraw/zinc/37/73/32/444377332.db2.gz RZVXKHYAUYXRSD-MSOLQXFVSA-N 2 2 333.476 1.858 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000578980708 321863012 /nfs/dbraw/zinc/86/30/12/321863012.db2.gz OEQMZAUJNNCWMU-JKSUJKDBSA-N 2 2 348.495 1.706 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337997994 444482393 /nfs/dbraw/zinc/48/23/93/444482393.db2.gz QVXLJYREGWSWLL-OAGGEKHMSA-N 2 2 329.448 1.586 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337997994 444482397 /nfs/dbraw/zinc/48/23/97/444482397.db2.gz QVXLJYREGWSWLL-OAGGEKHMSA-N 2 2 329.448 1.586 20 0 EDADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000580065372 322004120 /nfs/dbraw/zinc/00/41/20/322004120.db2.gz UKXSESPIDMXDRP-AEFFLSMTSA-N 2 2 336.476 1.547 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)n1C ZINC000580154999 322014657 /nfs/dbraw/zinc/01/46/57/322014657.db2.gz QLCCAEMUEHKHMS-MRXNPFEDSA-N 2 2 333.480 1.899 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)n1C ZINC000580154999 322014658 /nfs/dbraw/zinc/01/46/58/322014658.db2.gz QLCCAEMUEHKHMS-MRXNPFEDSA-N 2 2 333.480 1.899 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000580275064 322028845 /nfs/dbraw/zinc/02/88/45/322028845.db2.gz WFEPQQCXVGEFHV-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000580275064 322028846 /nfs/dbraw/zinc/02/88/46/322028846.db2.gz WFEPQQCXVGEFHV-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000580639978 322076826 /nfs/dbraw/zinc/07/68/26/322076826.db2.gz XZRAJHATVVEUTM-WKULXVSPSA-N 2 2 334.485 1.887 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000338055038 444501433 /nfs/dbraw/zinc/50/14/33/444501433.db2.gz KEZMPPMBIDLZCP-MRXNPFEDSA-N 2 2 341.415 1.362 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000338055038 444501437 /nfs/dbraw/zinc/50/14/37/444501437.db2.gz KEZMPPMBIDLZCP-MRXNPFEDSA-N 2 2 341.415 1.362 20 0 EDADLP CC(=O)N(c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1)C1CC1 ZINC000580702857 322083936 /nfs/dbraw/zinc/08/39/36/322083936.db2.gz FAAFTKHEDAMFMF-QGZVFWFLSA-N 2 2 345.447 1.309 20 0 EDADLP CC(=O)N(c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1)C1CC1 ZINC000580702857 322083937 /nfs/dbraw/zinc/08/39/37/322083937.db2.gz FAAFTKHEDAMFMF-QGZVFWFLSA-N 2 2 345.447 1.309 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](c2ccco2)c2ccccc2)CC1 ZINC000580710972 322085807 /nfs/dbraw/zinc/08/58/07/322085807.db2.gz YHSMFNAPZKCULL-IEBWSBKVSA-N 2 2 329.444 1.567 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1ncnn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000580774773 322093945 /nfs/dbraw/zinc/09/39/45/322093945.db2.gz PMZRQIVADFWATR-HNNXBMFYSA-N 2 2 343.479 1.659 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000580826007 322099796 /nfs/dbraw/zinc/09/97/96/322099796.db2.gz OIGFGMDLIYDWSL-GOSISDBHSA-N 2 2 328.416 1.957 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000580826007 322099799 /nfs/dbraw/zinc/09/97/99/322099799.db2.gz OIGFGMDLIYDWSL-GOSISDBHSA-N 2 2 328.416 1.957 20 0 EDADLP CN(c1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329213274 444503641 /nfs/dbraw/zinc/50/36/41/444503641.db2.gz JDQGVVYTNZMYNR-PMRDEQMMSA-N 2 2 345.491 1.747 20 0 EDADLP CN(c1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329213274 444503644 /nfs/dbraw/zinc/50/36/44/444503644.db2.gz JDQGVVYTNZMYNR-PMRDEQMMSA-N 2 2 345.491 1.747 20 0 EDADLP CN(c1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329213274 444503648 /nfs/dbraw/zinc/50/36/48/444503648.db2.gz JDQGVVYTNZMYNR-PMRDEQMMSA-N 2 2 345.491 1.747 20 0 EDADLP CN(c1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329213274 444503651 /nfs/dbraw/zinc/50/36/51/444503651.db2.gz JDQGVVYTNZMYNR-PMRDEQMMSA-N 2 2 345.491 1.747 20 0 EDADLP COC[C@]1(CNC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CCC[NH2+]1 ZINC000581418857 322174777 /nfs/dbraw/zinc/17/47/77/322174777.db2.gz FYRUKCFBIDDORS-WMLDXEAASA-N 2 2 335.452 1.137 20 0 EDADLP C[C@@H](CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)C[NH+]1CCOCC1 ZINC000581926743 322233435 /nfs/dbraw/zinc/23/34/35/322233435.db2.gz FBWSJKRMIUVRLJ-LSDHHAIUSA-N 2 2 349.479 1.481 20 0 EDADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000342130146 444524414 /nfs/dbraw/zinc/52/44/14/444524414.db2.gz LGAIVHZFOZTPKY-XUXNNNHQSA-N 2 2 348.491 1.641 20 0 EDADLP CC/C=C\CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000342233663 444579445 /nfs/dbraw/zinc/57/94/45/444579445.db2.gz RRKDKHPGFBEDKV-ARJAWSKDSA-N 2 2 331.464 1.792 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@H]3C)CC2)c1 ZINC000340926106 444579517 /nfs/dbraw/zinc/57/95/17/444579517.db2.gz OIBFVRAPXVETSC-AEFFLSMTSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@H]3C)CC2)c1 ZINC000340926106 444579523 /nfs/dbraw/zinc/57/95/23/444579523.db2.gz OIBFVRAPXVETSC-AEFFLSMTSA-N 2 2 331.460 1.094 20 0 EDADLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000332909312 444593603 /nfs/dbraw/zinc/59/36/03/444593603.db2.gz PSNFDBMZNJGDLB-GDBMZVCRSA-N 2 2 332.448 1.205 20 0 EDADLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000332909312 444593606 /nfs/dbraw/zinc/59/36/06/444593606.db2.gz PSNFDBMZNJGDLB-GDBMZVCRSA-N 2 2 332.448 1.205 20 0 EDADLP CCCCN(CC)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927584 444674465 /nfs/dbraw/zinc/67/44/65/444674465.db2.gz SHUHGNOBCQTLBI-QZTJIDSGSA-N 2 2 338.540 1.593 20 0 EDADLP CCCCN(CC)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927584 444674467 /nfs/dbraw/zinc/67/44/67/444674467.db2.gz SHUHGNOBCQTLBI-QZTJIDSGSA-N 2 2 338.540 1.593 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333483709 444675856 /nfs/dbraw/zinc/67/58/56/444675856.db2.gz CKAPUTDBLWVDNS-KSSFIOAISA-N 2 2 336.480 1.609 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333483709 444675861 /nfs/dbraw/zinc/67/58/61/444675861.db2.gz CKAPUTDBLWVDNS-KSSFIOAISA-N 2 2 336.480 1.609 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000329601893 444644026 /nfs/dbraw/zinc/64/40/26/444644026.db2.gz XSKGYXNBTGDNAB-LZWOXQAQSA-N 2 2 334.464 1.322 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000329601893 444644032 /nfs/dbraw/zinc/64/40/32/444644032.db2.gz XSKGYXNBTGDNAB-LZWOXQAQSA-N 2 2 334.464 1.322 20 0 EDADLP COc1coc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1=O ZINC000343883410 444644902 /nfs/dbraw/zinc/64/49/02/444644902.db2.gz AZGVBVAKMMVNCY-GDBMZVCRSA-N 2 2 335.448 1.106 20 0 EDADLP COc1coc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1=O ZINC000343883410 444644905 /nfs/dbraw/zinc/64/49/05/444644905.db2.gz AZGVBVAKMMVNCY-GDBMZVCRSA-N 2 2 335.448 1.106 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000342473411 444706674 /nfs/dbraw/zinc/70/66/74/444706674.db2.gz LJAOJEMJFCXVGP-HKUYNNGSSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000342473411 444706678 /nfs/dbraw/zinc/70/66/78/444706678.db2.gz LJAOJEMJFCXVGP-HKUYNNGSSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000342473411 444706682 /nfs/dbraw/zinc/70/66/82/444706682.db2.gz LJAOJEMJFCXVGP-HKUYNNGSSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342473411 444706685 /nfs/dbraw/zinc/70/66/85/444706685.db2.gz LJAOJEMJFCXVGP-HKUYNNGSSA-N 2 2 345.487 1.878 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333888890 444708730 /nfs/dbraw/zinc/70/87/30/444708730.db2.gz GKPKMTNNADQEDO-JKSUJKDBSA-N 2 2 329.448 1.433 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000341138138 444692688 /nfs/dbraw/zinc/69/26/88/444692688.db2.gz PWDPAQISEFXUDN-UHFFFAOYSA-N 2 2 330.348 1.487 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000341138138 444692690 /nfs/dbraw/zinc/69/26/90/444692690.db2.gz PWDPAQISEFXUDN-UHFFFAOYSA-N 2 2 330.348 1.487 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)nc[nH+]2)C1 ZINC000334031177 444753942 /nfs/dbraw/zinc/75/39/42/444753942.db2.gz LDBRBHWDSOUCLQ-YVSFHVDLSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)nc[nH+]2)C1 ZINC000334031177 444753943 /nfs/dbraw/zinc/75/39/43/444753943.db2.gz LDBRBHWDSOUCLQ-YVSFHVDLSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)[nH+]cn2)C1 ZINC000334031177 444753944 /nfs/dbraw/zinc/75/39/44/444753944.db2.gz LDBRBHWDSOUCLQ-YVSFHVDLSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)[nH+]cn2)C1 ZINC000334031177 444753945 /nfs/dbraw/zinc/75/39/45/444753945.db2.gz LDBRBHWDSOUCLQ-YVSFHVDLSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000342594025 444763259 /nfs/dbraw/zinc/76/32/59/444763259.db2.gz FPVYILCHYWDVKX-IAGOWNOFSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000342594025 444763263 /nfs/dbraw/zinc/76/32/63/444763263.db2.gz FPVYILCHYWDVKX-IAGOWNOFSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[N@H+]3CCC[C@@H](C)C3)nc[nH+]2)C1 ZINC000334058785 444765709 /nfs/dbraw/zinc/76/57/09/444765709.db2.gz XJWIDIARENKMIW-BZUAXINKSA-N 2 2 333.480 1.828 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000338677850 444804640 /nfs/dbraw/zinc/80/46/40/444804640.db2.gz SZXFTNFUNWGZBJ-SJLPKXTDSA-N 2 2 349.450 1.485 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000338677850 444804645 /nfs/dbraw/zinc/80/46/45/444804645.db2.gz SZXFTNFUNWGZBJ-SJLPKXTDSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000338677850 444804648 /nfs/dbraw/zinc/80/46/48/444804648.db2.gz SZXFTNFUNWGZBJ-SJLPKXTDSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000338677850 444804652 /nfs/dbraw/zinc/80/46/52/444804652.db2.gz SZXFTNFUNWGZBJ-SJLPKXTDSA-N 2 2 349.450 1.485 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000336869665 444813171 /nfs/dbraw/zinc/81/31/71/444813171.db2.gz DHWYSJGUKAOWSH-HUUCEWRRSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1C ZINC000336869665 444813176 /nfs/dbraw/zinc/81/31/76/444813176.db2.gz DHWYSJGUKAOWSH-HUUCEWRRSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[NH+]1C ZINC000336869665 444813178 /nfs/dbraw/zinc/81/31/78/444813178.db2.gz DHWYSJGUKAOWSH-HUUCEWRRSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[NH+]1C ZINC000336869665 444813181 /nfs/dbraw/zinc/81/31/81/444813181.db2.gz DHWYSJGUKAOWSH-HUUCEWRRSA-N 2 2 340.489 1.883 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCN3CCCS3(=O)=O)C2)CC1 ZINC000336874984 444820319 /nfs/dbraw/zinc/82/03/19/444820319.db2.gz ZODUEPZKCDRPRH-QGZVFWFLSA-N 2 2 343.537 1.466 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCN3CCCS3(=O)=O)C2)CC1 ZINC000336874984 444820326 /nfs/dbraw/zinc/82/03/26/444820326.db2.gz ZODUEPZKCDRPRH-QGZVFWFLSA-N 2 2 343.537 1.466 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)c1c(F)cccc1F ZINC000342707433 444826536 /nfs/dbraw/zinc/82/65/36/444826536.db2.gz MPRGNCOOOOFEEH-MFKMUULPSA-N 2 2 347.356 1.929 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000342719839 444833108 /nfs/dbraw/zinc/83/31/08/444833108.db2.gz XXMUHGTWYBADSC-SOUVJXGZSA-N 2 2 337.489 1.626 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000341459450 444843731 /nfs/dbraw/zinc/84/37/31/444843731.db2.gz JTGOOMDEXQAKSA-NJAFHUGGSA-N 2 2 331.460 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000341459450 444843734 /nfs/dbraw/zinc/84/37/34/444843734.db2.gz JTGOOMDEXQAKSA-NJAFHUGGSA-N 2 2 331.460 1.374 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000344221270 444846928 /nfs/dbraw/zinc/84/69/28/444846928.db2.gz PFTVZQMURJAQRQ-UHFFFAOYSA-N 2 2 334.464 1.741 20 0 EDADLP Cc1c[nH+]c(CN(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C ZINC000342797887 444871640 /nfs/dbraw/zinc/87/16/40/444871640.db2.gz QYFZGPKXOLWDLB-UHFFFAOYSA-N 2 2 327.476 1.983 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000344423273 444959349 /nfs/dbraw/zinc/95/93/49/444959349.db2.gz IDYOXMLHMYLEFH-CVEARBPZSA-N 2 2 348.466 1.499 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000344423273 444959356 /nfs/dbraw/zinc/95/93/56/444959356.db2.gz IDYOXMLHMYLEFH-CVEARBPZSA-N 2 2 348.466 1.499 20 0 EDADLP Cn1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1=O ZINC000339105588 445035595 /nfs/dbraw/zinc/03/55/95/445035595.db2.gz BAECIBWHAQQGPL-UHFFFAOYSA-N 2 2 347.463 1.065 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1C[NH+]1CCOCC1 ZINC000344525383 445033315 /nfs/dbraw/zinc/03/33/15/445033315.db2.gz UIDLAAIVMFOHMM-QZTJIDSGSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1C[NH+]1CCOCC1 ZINC000344525383 445033320 /nfs/dbraw/zinc/03/33/20/445033320.db2.gz UIDLAAIVMFOHMM-QZTJIDSGSA-N 2 2 343.471 1.875 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+](C)CC3)cc2F)CC1 ZINC000341747063 444983669 /nfs/dbraw/zinc/98/36/69/444983669.db2.gz CEPZWXCABHHQLV-UHFFFAOYSA-N 2 2 334.439 1.355 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000337380505 445055946 /nfs/dbraw/zinc/05/59/46/445055946.db2.gz IUCFKDIGOXKUIC-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000337380505 445055951 /nfs/dbraw/zinc/05/59/51/445055951.db2.gz IUCFKDIGOXKUIC-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000337344131 445040475 /nfs/dbraw/zinc/04/04/75/445040475.db2.gz YOXSTDFUXQOHFD-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000337344131 445040478 /nfs/dbraw/zinc/04/04/78/445040478.db2.gz YOXSTDFUXQOHFD-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)C(=O)NCC[NH+]1CCCCC1 ZINC000339216094 445094042 /nfs/dbraw/zinc/09/40/42/445094042.db2.gz OGNRMEGLRLDZMB-CQSZACIVSA-N 2 2 343.431 1.055 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@H](C)O1 ZINC000339233052 445104229 /nfs/dbraw/zinc/10/42/29/445104229.db2.gz MTNMPBZNUJJXLY-GJZGRUSLSA-N 2 2 348.491 1.761 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000342042553 445140528 /nfs/dbraw/zinc/14/05/28/445140528.db2.gz RINIBJNOYZZTHN-OAHLLOKOSA-N 2 2 347.463 1.106 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000342042553 445140533 /nfs/dbraw/zinc/14/05/33/445140533.db2.gz RINIBJNOYZZTHN-OAHLLOKOSA-N 2 2 347.463 1.106 20 0 EDADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000339250982 445115860 /nfs/dbraw/zinc/11/58/60/445115860.db2.gz PUCZKYNKPLOTJA-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000339250982 445115862 /nfs/dbraw/zinc/11/58/62/445115862.db2.gz PUCZKYNKPLOTJA-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339253866 445116787 /nfs/dbraw/zinc/11/67/87/445116787.db2.gz BLWGSZCRSPOPQY-ZWKOTPCHSA-N 2 2 337.508 1.866 20 0 EDADLP CC[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339253866 445116791 /nfs/dbraw/zinc/11/67/91/445116791.db2.gz BLWGSZCRSPOPQY-ZWKOTPCHSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3[nH+]ccn3C)cc2)C[C@H](C)O1 ZINC000343312282 445193967 /nfs/dbraw/zinc/19/39/67/445193967.db2.gz OUIFMGMKJRAKND-GASCZTMLSA-N 2 2 342.443 1.959 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3[nH+]ccn3C)cc2)C[C@H](C)O1 ZINC000343312282 445193969 /nfs/dbraw/zinc/19/39/69/445193969.db2.gz OUIFMGMKJRAKND-GASCZTMLSA-N 2 2 342.443 1.959 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000337571813 445144098 /nfs/dbraw/zinc/14/40/98/445144098.db2.gz ZPIRADIYNWVITR-OAHLLOKOSA-N 2 2 330.436 1.440 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)C1 ZINC000343425221 445220175 /nfs/dbraw/zinc/22/01/75/445220175.db2.gz BGSOYAXZFHYNQL-MAUKXSAKSA-N 2 2 341.459 1.952 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)C1 ZINC000343425221 445220177 /nfs/dbraw/zinc/22/01/77/445220177.db2.gz BGSOYAXZFHYNQL-MAUKXSAKSA-N 2 2 341.459 1.952 20 0 EDADLP CSC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346936985 445228145 /nfs/dbraw/zinc/22/81/45/445228145.db2.gz SHVOMRIEUSLSBL-SQWLQELKSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346936985 445228147 /nfs/dbraw/zinc/22/81/47/445228147.db2.gz SHVOMRIEUSLSBL-SQWLQELKSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346936985 445228148 /nfs/dbraw/zinc/22/81/48/445228148.db2.gz SHVOMRIEUSLSBL-SQWLQELKSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346936985 445228150 /nfs/dbraw/zinc/22/81/50/445228150.db2.gz SHVOMRIEUSLSBL-SQWLQELKSA-N 2 2 326.510 1.459 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000346963446 445228942 /nfs/dbraw/zinc/22/89/42/445228942.db2.gz AZQULBOWCNAIKD-LZQZEXGQSA-N 2 2 333.476 1.669 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)COCC1CC1 ZINC000346963446 445228943 /nfs/dbraw/zinc/22/89/43/445228943.db2.gz AZQULBOWCNAIKD-LZQZEXGQSA-N 2 2 333.476 1.669 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000343458240 445226362 /nfs/dbraw/zinc/22/63/62/445226362.db2.gz RTOCBGYDPUUWKU-PBHICJAKSA-N 2 2 327.432 1.562 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000343458240 445226363 /nfs/dbraw/zinc/22/63/63/445226363.db2.gz RTOCBGYDPUUWKU-PBHICJAKSA-N 2 2 327.432 1.562 20 0 EDADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000343494806 445233625 /nfs/dbraw/zinc/23/36/25/445233625.db2.gz BZBXWJIEVOMXBE-KGLIPLIRSA-N 2 2 327.350 1.543 20 0 EDADLP CC(C)N(CCC(=O)N1CC[NH+](C)CC1)CC[NH+]1CCCCCC1 ZINC000347335945 445236149 /nfs/dbraw/zinc/23/61/49/445236149.db2.gz JWINXGFUXVMXKN-UHFFFAOYSA-N 2 2 338.540 1.737 20 0 EDADLP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCCCCC1 ZINC000347335945 445236151 /nfs/dbraw/zinc/23/61/51/445236151.db2.gz JWINXGFUXVMXKN-UHFFFAOYSA-N 2 2 338.540 1.737 20 0 EDADLP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCCCCC1 ZINC000347335945 445236153 /nfs/dbraw/zinc/23/61/53/445236153.db2.gz JWINXGFUXVMXKN-UHFFFAOYSA-N 2 2 338.540 1.737 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000348530765 445315946 /nfs/dbraw/zinc/31/59/46/445315946.db2.gz BPYGHEPCTMPXAH-IAGOWNOFSA-N 2 2 339.528 1.044 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000348530765 445315950 /nfs/dbraw/zinc/31/59/50/445315950.db2.gz BPYGHEPCTMPXAH-IAGOWNOFSA-N 2 2 339.528 1.044 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000348530765 445315952 /nfs/dbraw/zinc/31/59/52/445315952.db2.gz BPYGHEPCTMPXAH-IAGOWNOFSA-N 2 2 339.528 1.044 20 0 EDADLP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000348530765 445315954 /nfs/dbraw/zinc/31/59/54/445315954.db2.gz BPYGHEPCTMPXAH-IAGOWNOFSA-N 2 2 339.528 1.044 20 0 EDADLP CCn1cc(CC[N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000348214590 445318610 /nfs/dbraw/zinc/31/86/10/445318610.db2.gz YVCFZOCZCDVJEE-SJORKVTESA-N 2 2 348.470 1.723 20 0 EDADLP CCn1cc(CC[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000348214590 445318614 /nfs/dbraw/zinc/31/86/14/445318614.db2.gz YVCFZOCZCDVJEE-SJORKVTESA-N 2 2 348.470 1.723 20 0 EDADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000351725732 445294867 /nfs/dbraw/zinc/29/48/67/445294867.db2.gz XLZNKPVQVNMNDM-MOPGFXCFSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000351725732 445294870 /nfs/dbraw/zinc/29/48/70/445294870.db2.gz XLZNKPVQVNMNDM-MOPGFXCFSA-N 2 2 343.471 1.828 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c(C)c1 ZINC000354567334 445297827 /nfs/dbraw/zinc/29/78/27/445297827.db2.gz HZSWISNMMLATTQ-KRWDZBQOSA-N 2 2 344.459 1.584 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000348272418 445334556 /nfs/dbraw/zinc/33/45/56/445334556.db2.gz CLCZHEDBRCNCRR-GOSISDBHSA-N 2 2 345.487 1.975 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000348272418 445334557 /nfs/dbraw/zinc/33/45/57/445334557.db2.gz CLCZHEDBRCNCRR-GOSISDBHSA-N 2 2 345.487 1.975 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000348272418 445334560 /nfs/dbraw/zinc/33/45/60/445334560.db2.gz CLCZHEDBRCNCRR-GOSISDBHSA-N 2 2 345.487 1.975 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000348272418 445334563 /nfs/dbraw/zinc/33/45/63/445334563.db2.gz CLCZHEDBRCNCRR-GOSISDBHSA-N 2 2 345.487 1.975 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000354680433 445338243 /nfs/dbraw/zinc/33/82/43/445338243.db2.gz AKOHLIWVMFEFFW-UHFFFAOYSA-N 2 2 339.524 1.972 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000351850173 445343054 /nfs/dbraw/zinc/34/30/54/445343054.db2.gz IDRGAHVZMYUCML-HUUCEWRRSA-N 3 2 336.505 1.061 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000351850173 445343056 /nfs/dbraw/zinc/34/30/56/445343056.db2.gz IDRGAHVZMYUCML-HUUCEWRRSA-N 3 2 336.505 1.061 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000351852267 445343331 /nfs/dbraw/zinc/34/33/31/445343331.db2.gz MGYWNFDCZPMKOI-HKUYNNGSSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000351852267 445343333 /nfs/dbraw/zinc/34/33/33/445343333.db2.gz MGYWNFDCZPMKOI-HKUYNNGSSA-N 3 2 344.503 1.308 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000351862765 445346826 /nfs/dbraw/zinc/34/68/26/445346826.db2.gz QKMBMUBLCPYZHL-GDBMZVCRSA-N 3 2 336.505 1.061 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000351862765 445346829 /nfs/dbraw/zinc/34/68/29/445346829.db2.gz QKMBMUBLCPYZHL-GDBMZVCRSA-N 3 2 336.505 1.061 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000362390674 445357751 /nfs/dbraw/zinc/35/77/51/445357751.db2.gz TVGRAAIFJOIEAJ-WDSOQIARSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000362390674 445357754 /nfs/dbraw/zinc/35/77/54/445357754.db2.gz TVGRAAIFJOIEAJ-WDSOQIARSA-N 2 2 345.487 1.682 20 0 EDADLP C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000351899381 445362195 /nfs/dbraw/zinc/36/21/95/445362195.db2.gz LWOCOOJHRBFQOF-JYJNAYRXSA-N 2 2 340.512 1.467 20 0 EDADLP Cc1cc(NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)nc(C2CC2)[nH+]1 ZINC000359663787 445364141 /nfs/dbraw/zinc/36/41/41/445364141.db2.gz NSIKGCKDOZAPNB-CVEARBPZSA-N 2 2 344.438 2.420 20 0 EDADLP Cc1cc(NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)nc(C2CC2)[nH+]1 ZINC000359663787 445364146 /nfs/dbraw/zinc/36/41/46/445364146.db2.gz NSIKGCKDOZAPNB-CVEARBPZSA-N 2 2 344.438 2.420 20 0 EDADLP O=C(C[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1)N1CCCC1 ZINC000362415867 445370533 /nfs/dbraw/zinc/37/05/33/445370533.db2.gz ATRWPPCAFBCHHQ-UHFFFAOYSA-N 2 2 328.420 1.457 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000351798355 445325572 /nfs/dbraw/zinc/32/55/72/445325572.db2.gz KXXMINJWKACDIZ-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000351798355 445325575 /nfs/dbraw/zinc/32/55/75/445325575.db2.gz KXXMINJWKACDIZ-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000357074293 445409162 /nfs/dbraw/zinc/40/91/62/445409162.db2.gz FLDRWUMSIYTULP-IAGOWNOFSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000357074293 445409167 /nfs/dbraw/zinc/40/91/67/445409167.db2.gz FLDRWUMSIYTULP-IAGOWNOFSA-N 2 2 343.471 1.728 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357082257 445414676 /nfs/dbraw/zinc/41/46/76/445414676.db2.gz HLKVBMMPLWGIPF-HZPDHXFCSA-N 2 2 333.501 1.745 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357082257 445414679 /nfs/dbraw/zinc/41/46/79/445414679.db2.gz HLKVBMMPLWGIPF-HZPDHXFCSA-N 2 2 333.501 1.745 20 0 EDADLP COC(=O)[C@@H]([C@@H](C)O)[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000351983578 445417266 /nfs/dbraw/zinc/41/72/66/445417266.db2.gz UBEGIHSNQUVDMH-NVXWUHKLSA-N 2 2 331.416 1.698 20 0 EDADLP COC(=O)[C@@H]([C@@H](C)O)[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000351983578 445417268 /nfs/dbraw/zinc/41/72/68/445417268.db2.gz UBEGIHSNQUVDMH-NVXWUHKLSA-N 2 2 331.416 1.698 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000348858886 445418359 /nfs/dbraw/zinc/41/83/59/445418359.db2.gz HFTZCOHAODUNOX-PKOBYXMFSA-N 2 2 342.443 1.791 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000348858886 445418360 /nfs/dbraw/zinc/41/83/60/445418360.db2.gz HFTZCOHAODUNOX-PKOBYXMFSA-N 2 2 342.443 1.791 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000359772399 445419809 /nfs/dbraw/zinc/41/98/09/445419809.db2.gz FZUQSURVECOHIV-NZSAHSFTSA-N 2 2 345.487 1.859 20 0 EDADLP Cn1ccnc1CN1C[C@H](F)C[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354851894 445425695 /nfs/dbraw/zinc/42/56/95/445425695.db2.gz JCOQOIXJXFMPIP-ZBFHGGJFSA-N 2 2 342.422 1.770 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000351931851 445382973 /nfs/dbraw/zinc/38/29/73/445382973.db2.gz URRUECDONNOCFI-AWEZNQCLSA-N 2 2 333.436 1.407 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000351931851 445382976 /nfs/dbraw/zinc/38/29/76/445382976.db2.gz URRUECDONNOCFI-AWEZNQCLSA-N 2 2 333.436 1.407 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1[NH+](C)C ZINC000362643662 445475791 /nfs/dbraw/zinc/47/57/91/445475791.db2.gz ZCODHDCGVJYLKR-PBHICJAKSA-N 2 2 327.432 1.964 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362553950 445435928 /nfs/dbraw/zinc/43/59/28/445435928.db2.gz QXHCMAWPTLPPLP-ZIAGYGMSSA-N 2 2 342.447 1.723 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000355862919 445510489 /nfs/dbraw/zinc/51/04/89/445510489.db2.gz KLFLFHZMJUHIQV-UHFFFAOYSA-N 2 2 344.419 1.135 20 0 EDADLP Cc1cccc(C)c1OCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362708380 445511770 /nfs/dbraw/zinc/51/17/70/445511770.db2.gz BFFKOQKVPMLKLZ-QGZVFWFLSA-N 2 2 345.487 1.967 20 0 EDADLP Cc1cccc(C)c1OCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362708380 445511772 /nfs/dbraw/zinc/51/17/72/445511772.db2.gz BFFKOQKVPMLKLZ-QGZVFWFLSA-N 2 2 345.487 1.967 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000352367806 445523078 /nfs/dbraw/zinc/52/30/78/445523078.db2.gz BFXYYRVNDFEVPH-MRXNPFEDSA-N 2 2 333.480 2.380 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000352367806 445523082 /nfs/dbraw/zinc/52/30/82/445523082.db2.gz BFXYYRVNDFEVPH-MRXNPFEDSA-N 2 2 333.480 2.380 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000357213851 445485887 /nfs/dbraw/zinc/48/58/87/445485887.db2.gz SMNRHMLABPLVOQ-ZWKOTPCHSA-N 2 2 347.528 1.809 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000357213851 445485893 /nfs/dbraw/zinc/48/58/93/445485893.db2.gz SMNRHMLABPLVOQ-ZWKOTPCHSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000357213851 445485897 /nfs/dbraw/zinc/48/58/97/445485897.db2.gz SMNRHMLABPLVOQ-ZWKOTPCHSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000357213851 445485901 /nfs/dbraw/zinc/48/59/01/445485901.db2.gz SMNRHMLABPLVOQ-ZWKOTPCHSA-N 2 2 347.528 1.809 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000359914876 445486337 /nfs/dbraw/zinc/48/63/37/445486337.db2.gz BXTFJTKGCFXRCZ-OAHLLOKOSA-N 2 2 336.484 1.357 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000359914876 445486341 /nfs/dbraw/zinc/48/63/41/445486341.db2.gz BXTFJTKGCFXRCZ-OAHLLOKOSA-N 2 2 336.484 1.357 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000359919845 445488843 /nfs/dbraw/zinc/48/88/43/445488843.db2.gz WXRZGWPSQFSDDV-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000359919845 445488847 /nfs/dbraw/zinc/48/88/47/445488847.db2.gz WXRZGWPSQFSDDV-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000362673563 445492113 /nfs/dbraw/zinc/49/21/13/445492113.db2.gz OXQCTQQFQXZTIJ-BCMPFUBYSA-N 2 2 335.398 1.874 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000362673563 445492115 /nfs/dbraw/zinc/49/21/15/445492115.db2.gz OXQCTQQFQXZTIJ-BCMPFUBYSA-N 2 2 335.398 1.874 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000362673568 445492263 /nfs/dbraw/zinc/49/22/63/445492263.db2.gz OXQCTQQFQXZTIJ-VQRJYJFOSA-N 2 2 335.398 1.874 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000362673568 445492265 /nfs/dbraw/zinc/49/22/65/445492265.db2.gz OXQCTQQFQXZTIJ-VQRJYJFOSA-N 2 2 335.398 1.874 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3nnc(C)n3CC)CC2)CC1 ZINC000362686420 445500457 /nfs/dbraw/zinc/50/04/57/445500457.db2.gz IDFDXZFRRMDXHM-UHFFFAOYSA-N 2 2 334.512 1.598 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000360083912 445558041 /nfs/dbraw/zinc/55/80/41/445558041.db2.gz HEHWKJLOKVCVMV-GOSISDBHSA-N 2 2 345.487 1.933 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000360083912 445558045 /nfs/dbraw/zinc/55/80/45/445558045.db2.gz HEHWKJLOKVCVMV-GOSISDBHSA-N 2 2 345.487 1.933 20 0 EDADLP O=C(C[N@@H+]1CCOCC2(CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360090218 445560907 /nfs/dbraw/zinc/56/09/07/445560907.db2.gz VVEMYAIIHGHJSV-UHFFFAOYSA-N 2 2 343.471 1.443 20 0 EDADLP O=C(C[N@H+]1CCOCC2(CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360090218 445560913 /nfs/dbraw/zinc/56/09/13/445560913.db2.gz VVEMYAIIHGHJSV-UHFFFAOYSA-N 2 2 343.471 1.443 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000362831349 445571419 /nfs/dbraw/zinc/57/14/19/445571419.db2.gz POKZOCABPWJLCE-CYBMUJFWSA-N 2 2 330.457 1.693 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000362831349 445571425 /nfs/dbraw/zinc/57/14/25/445571425.db2.gz POKZOCABPWJLCE-CYBMUJFWSA-N 2 2 330.457 1.693 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000360125178 445581511 /nfs/dbraw/zinc/58/15/11/445581511.db2.gz OAUJTSQDTNBFHO-JKSUJKDBSA-N 2 2 348.495 1.421 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000360125178 445581515 /nfs/dbraw/zinc/58/15/15/445581515.db2.gz OAUJTSQDTNBFHO-JKSUJKDBSA-N 2 2 348.495 1.421 20 0 EDADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000360125178 445581520 /nfs/dbraw/zinc/58/15/20/445581520.db2.gz OAUJTSQDTNBFHO-JKSUJKDBSA-N 2 2 348.495 1.421 20 0 EDADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000360125178 445581523 /nfs/dbraw/zinc/58/15/23/445581523.db2.gz OAUJTSQDTNBFHO-JKSUJKDBSA-N 2 2 348.495 1.421 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@](C)(O)C2CCC2)([NH+]2CCCCC2)CC1 ZINC000362861189 445585186 /nfs/dbraw/zinc/58/51/86/445585186.db2.gz DZLYTIKHCATRJW-GOSISDBHSA-N 2 2 337.508 1.604 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Cc3ccccc3F)CC2)CC1 ZINC000357306719 445538497 /nfs/dbraw/zinc/53/84/97/445538497.db2.gz NMVATCAQOBFGFJ-UHFFFAOYSA-N 2 2 333.451 1.854 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000349254850 445547894 /nfs/dbraw/zinc/54/78/94/445547894.db2.gz UZLVNDDWMBJPPA-QGZVFWFLSA-N 2 2 344.459 1.836 20 0 EDADLP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CSC[NH2+]1 ZINC000360170379 445610403 /nfs/dbraw/zinc/61/04/03/445610403.db2.gz NOPMUHDLZFYDBG-KRWDZBQOSA-N 2 2 346.500 1.820 20 0 EDADLP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000349631976 445628576 /nfs/dbraw/zinc/62/85/76/445628576.db2.gz POMVUPMIQMCQER-IAGOWNOFSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000349631976 445628581 /nfs/dbraw/zinc/62/85/81/445628581.db2.gz POMVUPMIQMCQER-IAGOWNOFSA-N 2 2 333.476 1.734 20 0 EDADLP COC(=O)c1cncc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000360145601 445594161 /nfs/dbraw/zinc/59/41/61/445594161.db2.gz YCRVPVNQSNIKIT-YIONKMFJSA-N 2 2 345.447 1.010 20 0 EDADLP COC(=O)c1cncc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000360145601 445594164 /nfs/dbraw/zinc/59/41/64/445594164.db2.gz YCRVPVNQSNIKIT-YIONKMFJSA-N 2 2 345.447 1.010 20 0 EDADLP CC[N@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)Cc1ccccc1Cl ZINC000356056888 445594218 /nfs/dbraw/zinc/59/42/18/445594218.db2.gz IOUGQKJSYBYZEJ-QGZVFWFLSA-N 2 2 339.867 1.345 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@]1(O)CC[NH+](C)C1)Cc1ccccc1Cl ZINC000356056888 445594219 /nfs/dbraw/zinc/59/42/19/445594219.db2.gz IOUGQKJSYBYZEJ-QGZVFWFLSA-N 2 2 339.867 1.345 20 0 EDADLP CC[NH+](CC(=O)NC[C@]1(O)CC[N@H+](C)C1)Cc1ccccc1Cl ZINC000356056888 445594224 /nfs/dbraw/zinc/59/42/24/445594224.db2.gz IOUGQKJSYBYZEJ-QGZVFWFLSA-N 2 2 339.867 1.345 20 0 EDADLP CC[NH+](CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)Cc1ccccc1Cl ZINC000356056888 445594227 /nfs/dbraw/zinc/59/42/27/445594227.db2.gz IOUGQKJSYBYZEJ-QGZVFWFLSA-N 2 2 339.867 1.345 20 0 EDADLP Cc1cccc(NCCNC(=O)c2cc(C[NH+]3CCCC3)on2)[nH+]1 ZINC000360260325 445663593 /nfs/dbraw/zinc/66/35/93/445663593.db2.gz FMBKNDMIWDIYJK-UHFFFAOYSA-N 2 2 329.404 1.816 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)CC(C)C ZINC000356287674 445719243 /nfs/dbraw/zinc/71/92/43/445719243.db2.gz ZDHMLZQEBMWKJW-DLBZAZTESA-N 2 2 342.528 1.763 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)CC(C)C ZINC000356287674 445719246 /nfs/dbraw/zinc/71/92/46/445719246.db2.gz ZDHMLZQEBMWKJW-DLBZAZTESA-N 2 2 342.528 1.763 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353627088 445681739 /nfs/dbraw/zinc/68/17/39/445681739.db2.gz JWTWERJEQGUTIH-GOEBONIOSA-N 2 2 326.444 1.994 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353627088 445681742 /nfs/dbraw/zinc/68/17/42/445681742.db2.gz JWTWERJEQGUTIH-GOEBONIOSA-N 2 2 326.444 1.994 20 0 EDADLP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000356232867 445689019 /nfs/dbraw/zinc/68/90/19/445689019.db2.gz GJEIQRQJPZBBKV-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000356232867 445689025 /nfs/dbraw/zinc/68/90/25/445689025.db2.gz GJEIQRQJPZBBKV-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H]1CCC[NH+](CCCCNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000356232867 445689029 /nfs/dbraw/zinc/68/90/29/445689029.db2.gz GJEIQRQJPZBBKV-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H]1CCC[NH+](CCCCNC(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000356232867 445689034 /nfs/dbraw/zinc/68/90/34/445689034.db2.gz GJEIQRQJPZBBKV-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000356233694 445690251 /nfs/dbraw/zinc/69/02/51/445690251.db2.gz HZAUZFXMXWBJBE-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000356233694 445690254 /nfs/dbraw/zinc/69/02/54/445690254.db2.gz HZAUZFXMXWBJBE-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356233694 445690257 /nfs/dbraw/zinc/69/02/57/445690257.db2.gz HZAUZFXMXWBJBE-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356233694 445690258 /nfs/dbraw/zinc/69/02/58/445690258.db2.gz HZAUZFXMXWBJBE-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000363140191 445693797 /nfs/dbraw/zinc/69/37/97/445693797.db2.gz DEPDKEMFCHVELN-AEFFLSMTSA-N 2 2 331.460 1.692 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000363140191 445693800 /nfs/dbraw/zinc/69/38/00/445693800.db2.gz DEPDKEMFCHVELN-AEFFLSMTSA-N 2 2 331.460 1.692 20 0 EDADLP O=C(C[NH2+]Cc1ccn(C(F)F)n1)NCC[NH+]1CCCCCC1 ZINC000353663613 445697993 /nfs/dbraw/zinc/69/79/93/445697993.db2.gz DJBDJPFPJQNSGN-UHFFFAOYSA-N 2 2 329.395 1.360 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363179038 445710012 /nfs/dbraw/zinc/71/00/12/445710012.db2.gz CZMIIAKDMQFWPM-HOTGVXAUSA-N 3 2 339.528 1.184 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363179038 445710014 /nfs/dbraw/zinc/71/00/14/445710014.db2.gz CZMIIAKDMQFWPM-HOTGVXAUSA-N 3 2 339.528 1.184 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000353818787 445770129 /nfs/dbraw/zinc/77/01/29/445770129.db2.gz VXCMTOFKKYMSGX-QGZVFWFLSA-N 2 2 342.443 1.872 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000353818787 445770132 /nfs/dbraw/zinc/77/01/32/445770132.db2.gz VXCMTOFKKYMSGX-QGZVFWFLSA-N 2 2 342.443 1.872 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363212485 445722914 /nfs/dbraw/zinc/72/29/14/445722914.db2.gz RMJVPABVYYKNRW-OAHLLOKOSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000363212485 445722918 /nfs/dbraw/zinc/72/29/18/445722918.db2.gz RMJVPABVYYKNRW-OAHLLOKOSA-N 2 2 342.447 1.941 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000353727089 445726893 /nfs/dbraw/zinc/72/68/93/445726893.db2.gz HQDGSWUAGUWJIP-CABCVRRESA-N 2 2 339.386 1.334 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000353727089 445726897 /nfs/dbraw/zinc/72/68/97/445726897.db2.gz HQDGSWUAGUWJIP-CABCVRRESA-N 2 2 339.386 1.334 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)CC1 ZINC000361563176 445820994 /nfs/dbraw/zinc/82/09/94/445820994.db2.gz LQPMUCYYRCDCHR-HNNXBMFYSA-N 2 2 343.471 1.792 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)CC1 ZINC000361563176 445820997 /nfs/dbraw/zinc/82/09/97/445820997.db2.gz LQPMUCYYRCDCHR-HNNXBMFYSA-N 2 2 343.471 1.792 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000358809019 445786534 /nfs/dbraw/zinc/78/65/34/445786534.db2.gz SZOLVTSBLJNXQI-RCCFBDPRSA-N 2 2 349.523 1.035 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000358809019 445786539 /nfs/dbraw/zinc/78/65/39/445786539.db2.gz SZOLVTSBLJNXQI-RCCFBDPRSA-N 2 2 349.523 1.035 20 0 EDADLP OC[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)[C@H]1CCOC1 ZINC000358828944 445797842 /nfs/dbraw/zinc/79/78/42/445797842.db2.gz LJOWGNDQKSJAIM-QWHCGFSZSA-N 2 2 340.387 1.267 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361517450 445798456 /nfs/dbraw/zinc/79/84/56/445798456.db2.gz DCFLZKLQMRZYSX-CQSZACIVSA-N 2 2 334.464 1.906 20 0 EDADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519450 445799565 /nfs/dbraw/zinc/79/95/65/445799565.db2.gz OGRQNPZATSORBH-CQSZACIVSA-N 2 2 334.464 1.906 20 0 EDADLP [NH3+]C[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000358852300 445810962 /nfs/dbraw/zinc/81/09/62/445810962.db2.gz GHAKXGLDWAINDA-MRXNPFEDSA-N 2 2 330.407 1.760 20 0 EDADLP CC(=O)[C@@H]1C[C@H](CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000363896313 445883329 /nfs/dbraw/zinc/88/33/29/445883329.db2.gz MGEHBEDPIPALKM-NUJGCVRESA-N 2 2 349.519 1.913 20 0 EDADLP CC(=O)[C@@H]1C[C@H](CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000363896313 445883332 /nfs/dbraw/zinc/88/33/32/445883332.db2.gz MGEHBEDPIPALKM-NUJGCVRESA-N 2 2 349.519 1.913 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979487 445837892 /nfs/dbraw/zinc/83/78/92/445837892.db2.gz QZGQJNDXIRBFMV-AJYUKVHDSA-N 3 2 336.524 1.390 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979487 445837894 /nfs/dbraw/zinc/83/78/94/445837894.db2.gz QZGQJNDXIRBFMV-AJYUKVHDSA-N 3 2 336.524 1.390 20 0 EDADLP CC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979487 445837896 /nfs/dbraw/zinc/83/78/96/445837896.db2.gz QZGQJNDXIRBFMV-AJYUKVHDSA-N 3 2 336.524 1.390 20 0 EDADLP CC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979487 445837897 /nfs/dbraw/zinc/83/78/97/445837897.db2.gz QZGQJNDXIRBFMV-AJYUKVHDSA-N 3 2 336.524 1.390 20 0 EDADLP CC[C@]1(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000363535694 445848543 /nfs/dbraw/zinc/84/85/43/445848543.db2.gz UJDRRVFWIASGBE-HKUYNNGSSA-N 2 2 331.460 1.254 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc(N(C)C)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354010875 445854179 /nfs/dbraw/zinc/85/41/79/445854179.db2.gz PLEWCPNSGDTXLE-GDBMZVCRSA-N 2 2 337.537 1.667 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354010875 445854184 /nfs/dbraw/zinc/85/41/84/445854184.db2.gz PLEWCPNSGDTXLE-GDBMZVCRSA-N 2 2 337.537 1.667 20 0 EDADLP CC[NH+](CC)[C@@H](CC(C)C)CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359017854 445890515 /nfs/dbraw/zinc/89/05/15/445890515.db2.gz DZEIUOPSAVUXMF-LSDHHAIUSA-N 2 2 335.452 1.629 20 0 EDADLP CC[NH+](CC)[C@@H](CC(C)C)CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359017854 445890520 /nfs/dbraw/zinc/89/05/20/445890520.db2.gz DZEIUOPSAVUXMF-LSDHHAIUSA-N 2 2 335.452 1.629 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@@](C)(O)c1ccccc1 ZINC000361757489 445919849 /nfs/dbraw/zinc/91/98/49/445919849.db2.gz WATYANSYKAGCBJ-MISYRCLQSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@](C)(O)c1ccccc1 ZINC000361757489 445919855 /nfs/dbraw/zinc/91/98/55/445919855.db2.gz WATYANSYKAGCBJ-MISYRCLQSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@](C)(O)c1ccccc1 ZINC000361757489 445919863 /nfs/dbraw/zinc/91/98/63/445919863.db2.gz WATYANSYKAGCBJ-MISYRCLQSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@](C)(O)c1ccccc1 ZINC000361757489 445919867 /nfs/dbraw/zinc/91/98/67/445919867.db2.gz WATYANSYKAGCBJ-MISYRCLQSA-N 2 2 347.503 1.231 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000369156275 445958275 /nfs/dbraw/zinc/95/82/75/445958275.db2.gz NWVRCWFBPXPTPQ-QGZVFWFLSA-N 2 2 338.540 1.639 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H]1C ZINC000354205230 445999157 /nfs/dbraw/zinc/99/91/57/445999157.db2.gz QSFIQIZGLOTYAS-NJAFHUGGSA-N 2 2 345.487 1.911 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H]1C ZINC000354205230 445999160 /nfs/dbraw/zinc/99/91/60/445999160.db2.gz QSFIQIZGLOTYAS-NJAFHUGGSA-N 2 2 345.487 1.911 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H]1C ZINC000354205230 445999165 /nfs/dbraw/zinc/99/91/65/445999165.db2.gz QSFIQIZGLOTYAS-NJAFHUGGSA-N 2 2 345.487 1.911 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H]1C ZINC000354205230 445999170 /nfs/dbraw/zinc/99/91/70/445999170.db2.gz QSFIQIZGLOTYAS-NJAFHUGGSA-N 2 2 345.487 1.911 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000351118556 445996614 /nfs/dbraw/zinc/99/66/14/445996614.db2.gz SMJPXTNGHFQIEI-OAHLLOKOSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000361897940 446048435 /nfs/dbraw/zinc/04/84/35/446048435.db2.gz XUIGGOAHRIZJEY-QGZVFWFLSA-N 2 2 335.496 1.805 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000361897940 446048443 /nfs/dbraw/zinc/04/84/43/446048443.db2.gz XUIGGOAHRIZJEY-QGZVFWFLSA-N 2 2 335.496 1.805 20 0 EDADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)CN1CCOCC1 ZINC000361890668 446044379 /nfs/dbraw/zinc/04/43/79/446044379.db2.gz VCBUAWLEZRAQDY-QGZVFWFLSA-N 2 2 332.492 1.604 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208040 446001296 /nfs/dbraw/zinc/00/12/96/446001296.db2.gz NMLHBOTXBGPWPD-SJLPKXTDSA-N 3 2 338.540 1.780 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208040 446001306 /nfs/dbraw/zinc/00/13/06/446001306.db2.gz NMLHBOTXBGPWPD-SJLPKXTDSA-N 3 2 338.540 1.780 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208040 446001313 /nfs/dbraw/zinc/00/13/13/446001313.db2.gz NMLHBOTXBGPWPD-SJLPKXTDSA-N 3 2 338.540 1.780 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208040 446001318 /nfs/dbraw/zinc/00/13/18/446001318.db2.gz NMLHBOTXBGPWPD-SJLPKXTDSA-N 3 2 338.540 1.780 20 0 EDADLP CC(C)c1cc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc(N(C)C)[nH+]1 ZINC000583015288 325980566 /nfs/dbraw/zinc/98/05/66/325980566.db2.gz WGMBIUXZWRNLRH-AWEZNQCLSA-N 2 2 346.479 1.067 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3cc(Cl)ccc3Cl)CCN2C1=O ZINC000583095771 326001264 /nfs/dbraw/zinc/00/12/64/326001264.db2.gz UUGBDZCMELBVJU-WCQYABFASA-N 2 2 344.242 1.616 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3cc(Cl)ccc3Cl)CCN2C1=O ZINC000583095771 326001265 /nfs/dbraw/zinc/00/12/65/326001265.db2.gz UUGBDZCMELBVJU-WCQYABFASA-N 2 2 344.242 1.616 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000583375287 326060259 /nfs/dbraw/zinc/06/02/59/326060259.db2.gz DEGKBQVJPGNCJV-INIZCTEOSA-N 2 2 332.448 1.562 20 0 EDADLP C[C@@H]1Cc2[nH+]cn(CC(=O)NCC(C)(C)[NH+]3CCOCC3)c2C[C@H]1C ZINC000583674835 326114856 /nfs/dbraw/zinc/11/48/56/326114856.db2.gz WESQIWQDJJGCBJ-HUUCEWRRSA-N 2 2 348.491 1.481 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@H](C)O1 ZINC000583867096 326155395 /nfs/dbraw/zinc/15/53/95/326155395.db2.gz RNMKEUBHOBNSOR-JJTUDDRGSA-N 2 2 328.497 1.640 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@H](C)O1 ZINC000583867096 326155396 /nfs/dbraw/zinc/15/53/96/326155396.db2.gz RNMKEUBHOBNSOR-JJTUDDRGSA-N 2 2 328.497 1.640 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000356836145 446057746 /nfs/dbraw/zinc/05/77/46/446057746.db2.gz HBWPEIJPTBZGPQ-MSOLQXFVSA-N 3 2 332.492 1.998 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584031363 326185549 /nfs/dbraw/zinc/18/55/49/326185549.db2.gz RQXZYLQPRINZQY-HNNXBMFYSA-N 2 2 341.415 1.406 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584031363 326185550 /nfs/dbraw/zinc/18/55/50/326185550.db2.gz RQXZYLQPRINZQY-HNNXBMFYSA-N 2 2 341.415 1.406 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000584103002 326199532 /nfs/dbraw/zinc/19/95/32/326199532.db2.gz JYCPIKVOADAZRN-NVXWUHKLSA-N 2 2 331.464 1.297 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000584108117 326200456 /nfs/dbraw/zinc/20/04/56/326200456.db2.gz NFAHMKXCBPGHCR-LJQANCHMSA-N 3 2 333.476 1.064 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2nc(Cc3ccccc3)no2)CC12CCOCC2 ZINC000584292272 326237853 /nfs/dbraw/zinc/23/78/53/326237853.db2.gz AZYCPNPRCDDPSS-MRXNPFEDSA-N 2 2 342.443 1.848 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(Cc3ccccc3)no2)CC12CCOCC2 ZINC000584292272 326237857 /nfs/dbraw/zinc/23/78/57/326237857.db2.gz AZYCPNPRCDDPSS-MRXNPFEDSA-N 2 2 342.443 1.848 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000359260941 446096135 /nfs/dbraw/zinc/09/61/35/446096135.db2.gz CXVBXIYHPNIXJG-AWEZNQCLSA-N 2 2 337.468 1.002 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000359260941 446096142 /nfs/dbraw/zinc/09/61/42/446096142.db2.gz CXVBXIYHPNIXJG-AWEZNQCLSA-N 2 2 337.468 1.002 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000373207780 446097301 /nfs/dbraw/zinc/09/73/01/446097301.db2.gz YOGVBYFKPDEAMG-KXBFYZLASA-N 2 2 349.450 1.272 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000373207780 446097306 /nfs/dbraw/zinc/09/73/06/446097306.db2.gz YOGVBYFKPDEAMG-KXBFYZLASA-N 2 2 349.450 1.272 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359309730 446140216 /nfs/dbraw/zinc/14/02/16/446140216.db2.gz RSEXGPWFIJABKE-ROUUACIJSA-N 2 2 331.460 1.379 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000356892423 446100417 /nfs/dbraw/zinc/10/04/17/446100417.db2.gz HLZINKSNEJOKQY-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366245109 446103566 /nfs/dbraw/zinc/10/35/66/446103566.db2.gz ILSJHLJSXYVIRE-IAGOWNOFSA-N 2 2 349.479 1.524 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C(C)(C)C ZINC000366254993 446109230 /nfs/dbraw/zinc/10/92/30/446109230.db2.gz CLFDEADRVKNQNH-CVEARBPZSA-N 2 2 340.512 1.515 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C(C)(C)C ZINC000366254993 446109233 /nfs/dbraw/zinc/10/92/33/446109233.db2.gz CLFDEADRVKNQNH-CVEARBPZSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000366257022 446110540 /nfs/dbraw/zinc/11/05/40/446110540.db2.gz RAYIFQIHWRGFTP-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000366257022 446110545 /nfs/dbraw/zinc/11/05/45/446110545.db2.gz RAYIFQIHWRGFTP-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366257022 446110550 /nfs/dbraw/zinc/11/05/50/446110550.db2.gz RAYIFQIHWRGFTP-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366257022 446110555 /nfs/dbraw/zinc/11/05/55/446110555.db2.gz RAYIFQIHWRGFTP-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP COCCc1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)no1 ZINC000351514603 446115960 /nfs/dbraw/zinc/11/59/60/446115960.db2.gz PJJGFJFJXKWICK-UHFFFAOYSA-N 2 2 338.452 1.335 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)CC2 ZINC000356920000 446124169 /nfs/dbraw/zinc/12/41/69/446124169.db2.gz NBDCEIVMDHGYKT-ZIAGYGMSSA-N 2 2 347.459 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)CC2 ZINC000356920000 446124171 /nfs/dbraw/zinc/12/41/71/446124171.db2.gz NBDCEIVMDHGYKT-ZIAGYGMSSA-N 2 2 347.459 1.271 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000373315396 446159797 /nfs/dbraw/zinc/15/97/97/446159797.db2.gz AUSRQWUECNIBNW-UHFFFAOYSA-N 2 2 345.487 1.832 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCCC1)C1CC1 ZINC000351575712 446172222 /nfs/dbraw/zinc/17/22/22/446172222.db2.gz UCPSXMTYKLMKEF-MRXNPFEDSA-N 2 2 325.497 1.506 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCCC1)C1CC1 ZINC000351575712 446172225 /nfs/dbraw/zinc/17/22/25/446172225.db2.gz UCPSXMTYKLMKEF-MRXNPFEDSA-N 2 2 325.497 1.506 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[nH]1 ZINC000354397171 446175760 /nfs/dbraw/zinc/17/57/60/446175760.db2.gz WSTJZQRLOCKYMA-KRWDZBQOSA-N 2 2 343.427 1.310 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[nH]1 ZINC000354397171 446175763 /nfs/dbraw/zinc/17/57/63/446175763.db2.gz WSTJZQRLOCKYMA-KRWDZBQOSA-N 2 2 343.427 1.310 20 0 EDADLP c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000373378643 446189469 /nfs/dbraw/zinc/18/94/69/446189469.db2.gz OCBNPLJKCIYLAF-INIZCTEOSA-N 2 2 331.464 1.768 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCC[NH3+])Cc2ccccc2)CC1 ZINC000359316703 446145442 /nfs/dbraw/zinc/14/54/42/446145442.db2.gz YGWVJGNRTSRPLP-UHFFFAOYSA-N 3 2 346.519 1.826 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCC[NH3+])Cc2ccccc2)CC1 ZINC000359316703 446145444 /nfs/dbraw/zinc/14/54/44/446145444.db2.gz YGWVJGNRTSRPLP-UHFFFAOYSA-N 3 2 346.519 1.826 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000351606804 446200885 /nfs/dbraw/zinc/20/08/85/446200885.db2.gz UOLLTZRTLCWHNV-SFHVURJKSA-N 2 2 336.451 1.650 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000351606804 446200891 /nfs/dbraw/zinc/20/08/91/446200891.db2.gz UOLLTZRTLCWHNV-SFHVURJKSA-N 2 2 336.451 1.650 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000366423531 446206811 /nfs/dbraw/zinc/20/68/11/446206811.db2.gz XENZWEIQWOQVOZ-DOTOQJQBSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000366423531 446206816 /nfs/dbraw/zinc/20/68/16/446206816.db2.gz XENZWEIQWOQVOZ-DOTOQJQBSA-N 2 2 346.475 1.547 20 0 EDADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CCCO1 ZINC000373479866 446231443 /nfs/dbraw/zinc/23/14/43/446231443.db2.gz MKTNOCNVMVLQGB-HNNXBMFYSA-N 2 2 344.463 1.468 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CCCO1 ZINC000373479866 446231451 /nfs/dbraw/zinc/23/14/51/446231451.db2.gz MKTNOCNVMVLQGB-HNNXBMFYSA-N 2 2 344.463 1.468 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)[C@H](C)C1 ZINC000373574623 446267276 /nfs/dbraw/zinc/26/72/76/446267276.db2.gz IMDDLBXMEBATFG-IKGGRYGDSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)[C@H](C)C1 ZINC000373574623 446267279 /nfs/dbraw/zinc/26/72/79/446267279.db2.gz IMDDLBXMEBATFG-IKGGRYGDSA-N 2 2 346.475 1.212 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373587650 446273184 /nfs/dbraw/zinc/27/31/84/446273184.db2.gz YDPBNCSJUACGPI-IAGOWNOFSA-N 2 2 326.444 1.735 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2cnccn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373589985 446273891 /nfs/dbraw/zinc/27/38/91/446273891.db2.gz ZMFWXURWQNHUFP-OAHLLOKOSA-N 2 2 331.464 1.036 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2cnccn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373589985 446273897 /nfs/dbraw/zinc/27/38/97/446273897.db2.gz ZMFWXURWQNHUFP-OAHLLOKOSA-N 2 2 331.464 1.036 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365638557 446283506 /nfs/dbraw/zinc/28/35/06/446283506.db2.gz NAGWDINKDBYBTH-INIZCTEOSA-N 2 2 342.443 1.925 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365638557 446283507 /nfs/dbraw/zinc/28/35/07/446283507.db2.gz NAGWDINKDBYBTH-INIZCTEOSA-N 2 2 342.443 1.925 20 0 EDADLP c1nc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(N2CCSCC2)[nH+]1 ZINC000370499313 446306984 /nfs/dbraw/zinc/30/69/84/446306984.db2.gz LKWITUPNFHANLD-KGLIPLIRSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc(N2CCSCC2)[nH+]1 ZINC000370499313 446306989 /nfs/dbraw/zinc/30/69/89/446306989.db2.gz LKWITUPNFHANLD-KGLIPLIRSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(N2CCSCC2)cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000370499313 446306993 /nfs/dbraw/zinc/30/69/93/446306993.db2.gz LKWITUPNFHANLD-KGLIPLIRSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(N2CCSCC2)cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]1 ZINC000370499313 446306999 /nfs/dbraw/zinc/30/69/99/446306999.db2.gz LKWITUPNFHANLD-KGLIPLIRSA-N 2 2 335.477 1.305 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000365717003 446312810 /nfs/dbraw/zinc/31/28/10/446312810.db2.gz NKILVWSWJZFSCQ-PBHICJAKSA-N 2 2 338.496 1.005 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000366730323 446327075 /nfs/dbraw/zinc/32/70/75/446327075.db2.gz OFWHFGDTHBDXEM-LJQANCHMSA-N 2 2 345.487 1.483 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000366730323 446327081 /nfs/dbraw/zinc/32/70/81/446327081.db2.gz OFWHFGDTHBDXEM-LJQANCHMSA-N 2 2 345.487 1.483 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000366766668 446341745 /nfs/dbraw/zinc/34/17/45/446341745.db2.gz RULMPFHVRONEDF-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000366766668 446341748 /nfs/dbraw/zinc/34/17/48/446341748.db2.gz RULMPFHVRONEDF-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000366766668 446341752 /nfs/dbraw/zinc/34/17/52/446341752.db2.gz RULMPFHVRONEDF-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000366766668 446341757 /nfs/dbraw/zinc/34/17/57/446341757.db2.gz RULMPFHVRONEDF-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP CCc1ncsc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366663178 446299308 /nfs/dbraw/zinc/29/93/08/446299308.db2.gz NGJLWALGEUIKIL-CQSZACIVSA-N 2 2 336.505 1.946 20 0 EDADLP CCc1ncsc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366663178 446299312 /nfs/dbraw/zinc/29/93/12/446299312.db2.gz NGJLWALGEUIKIL-CQSZACIVSA-N 2 2 336.505 1.946 20 0 EDADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000370605301 446353853 /nfs/dbraw/zinc/35/38/53/446353853.db2.gz YALWKHRIJCLBDN-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000376145366 446354498 /nfs/dbraw/zinc/35/44/98/446354498.db2.gz AOWKQQLRNVLJRZ-LJQANCHMSA-N 2 2 345.487 1.785 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NC[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC000370612289 446358405 /nfs/dbraw/zinc/35/84/05/446358405.db2.gz KLDZOCQAHIORON-MRXNPFEDSA-N 2 2 329.448 2.344 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417956510 446399782 /nfs/dbraw/zinc/39/97/82/446399782.db2.gz SKKHPEFEJQUCOU-IUIKQTSFSA-N 2 2 340.418 1.865 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417956510 446399787 /nfs/dbraw/zinc/39/97/87/446399787.db2.gz SKKHPEFEJQUCOU-IUIKQTSFSA-N 2 2 340.418 1.865 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000370649129 446371986 /nfs/dbraw/zinc/37/19/86/446371986.db2.gz WZIOVJUUPJXZMV-CVEARBPZSA-N 2 2 331.416 1.708 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000370649129 446371989 /nfs/dbraw/zinc/37/19/89/446371989.db2.gz WZIOVJUUPJXZMV-CVEARBPZSA-N 2 2 331.416 1.708 20 0 EDADLP CO[C@H](C)c1noc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000376228266 446391400 /nfs/dbraw/zinc/39/14/00/446391400.db2.gz UDJXQBBMUQSRRC-CQSZACIVSA-N 2 2 338.452 1.711 20 0 EDADLP CO[C@H](C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C)c1ccccc1 ZINC000374797489 446397410 /nfs/dbraw/zinc/39/74/10/446397410.db2.gz XGUIKSCAHCRIEA-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP CO[C@H](C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C)c1ccccc1 ZINC000374797489 446397414 /nfs/dbraw/zinc/39/74/14/446397414.db2.gz XGUIKSCAHCRIEA-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP CO[C@H](C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C)c1ccccc1 ZINC000374797489 446397417 /nfs/dbraw/zinc/39/74/17/446397417.db2.gz XGUIKSCAHCRIEA-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP CO[C@H](C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C)c1ccccc1 ZINC000374797489 446397419 /nfs/dbraw/zinc/39/74/19/446397419.db2.gz XGUIKSCAHCRIEA-YZGWKJHDSA-N 2 2 347.503 1.711 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000374796228 446397455 /nfs/dbraw/zinc/39/74/55/446397455.db2.gz CQJZWOKHLMCSDZ-UHFFFAOYSA-N 2 2 348.491 1.657 20 0 EDADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423124186 446430794 /nfs/dbraw/zinc/43/07/94/446430794.db2.gz MFUXFTVSLIPJJA-RBUKOAKNSA-N 3 2 348.491 1.269 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)[nH+]1 ZINC000411145991 446409583 /nfs/dbraw/zinc/40/95/83/446409583.db2.gz DGTISEFYLHRDPA-HUUCEWRRSA-N 2 2 330.432 1.688 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)[nH+]1 ZINC000411145991 446409585 /nfs/dbraw/zinc/40/95/85/446409585.db2.gz DGTISEFYLHRDPA-HUUCEWRRSA-N 2 2 330.432 1.688 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnn(CC(F)(F)F)n1 ZINC000366944991 446421670 /nfs/dbraw/zinc/42/16/70/446421670.db2.gz IEZGDJHICSIZGT-LLVKDONJSA-N 2 2 329.330 1.405 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnn(CC(F)(F)F)n1 ZINC000366944991 446421671 /nfs/dbraw/zinc/42/16/71/446421671.db2.gz IEZGDJHICSIZGT-LLVKDONJSA-N 2 2 329.330 1.405 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000418046685 446424527 /nfs/dbraw/zinc/42/45/27/446424527.db2.gz HRCZPJVVQLHETH-CYBMUJFWSA-N 2 2 336.867 1.701 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000370767351 446425918 /nfs/dbraw/zinc/42/59/18/446425918.db2.gz NDWNKLIXOQLKFQ-IBGZPJMESA-N 2 2 333.476 1.534 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000370767351 446425923 /nfs/dbraw/zinc/42/59/23/446425923.db2.gz NDWNKLIXOQLKFQ-IBGZPJMESA-N 2 2 333.476 1.534 20 0 EDADLP CN(C(=O)CC[C@@H]1CCCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370817795 446459685 /nfs/dbraw/zinc/45/96/85/446459685.db2.gz DFGPVJFTRBFTQG-ROUUACIJSA-N 2 2 337.508 1.963 20 0 EDADLP CN(C(=O)CC[C@@H]1CCCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370817795 446459687 /nfs/dbraw/zinc/45/96/87/446459687.db2.gz DFGPVJFTRBFTQG-ROUUACIJSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cnc3c(c2)COCC3)CC1 ZINC000374921882 446460987 /nfs/dbraw/zinc/46/09/87/446460987.db2.gz ZUNJFUMWGVIQQV-UHFFFAOYSA-N 2 2 347.463 1.302 20 0 EDADLP CCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000420300558 446464029 /nfs/dbraw/zinc/46/40/29/446464029.db2.gz IAJSLOOWCLARPA-HOTGVXAUSA-N 2 2 340.489 1.637 20 0 EDADLP CCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000420300558 446464035 /nfs/dbraw/zinc/46/40/35/446464035.db2.gz IAJSLOOWCLARPA-HOTGVXAUSA-N 2 2 340.489 1.637 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)[nH+]1 ZINC000411308426 446483738 /nfs/dbraw/zinc/48/37/38/446483738.db2.gz JOOMEJOCDWPBMK-CVEARBPZSA-N 2 2 344.459 1.888 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)[nH+]1 ZINC000411308426 446483740 /nfs/dbraw/zinc/48/37/40/446483740.db2.gz JOOMEJOCDWPBMK-CVEARBPZSA-N 2 2 344.459 1.888 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000418355199 446512146 /nfs/dbraw/zinc/51/21/46/446512146.db2.gz WQNMMCRQZDHSTH-OAHLLOKOSA-N 2 2 336.505 1.965 20 0 EDADLP CC(C)(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H]([NH3+])c1ccccc1 ZINC000423391652 446513062 /nfs/dbraw/zinc/51/30/62/446513062.db2.gz PMNSEFHQAZNQMD-MRXNPFEDSA-N 2 2 333.476 1.940 20 0 EDADLP CC(C)(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H]([NH3+])c1ccccc1 ZINC000423391652 446513069 /nfs/dbraw/zinc/51/30/69/446513069.db2.gz PMNSEFHQAZNQMD-MRXNPFEDSA-N 2 2 333.476 1.940 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000423342546 446497102 /nfs/dbraw/zinc/49/71/02/446497102.db2.gz NFNWAPPSFORXPG-ROUUACIJSA-N 2 2 345.487 1.954 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418477684 446558131 /nfs/dbraw/zinc/55/81/31/446558131.db2.gz VSYQPQVUQVIGCP-AVGNSLFASA-N 2 2 328.457 1.555 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418477684 446558133 /nfs/dbraw/zinc/55/81/33/446558133.db2.gz VSYQPQVUQVIGCP-AVGNSLFASA-N 2 2 328.457 1.555 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390617 446566409 /nfs/dbraw/zinc/56/64/09/446566409.db2.gz YMPZOFCSUYXWGS-KXBFYZLASA-N 2 2 331.460 1.948 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390617 446566415 /nfs/dbraw/zinc/56/64/15/446566415.db2.gz YMPZOFCSUYXWGS-KXBFYZLASA-N 2 2 331.460 1.948 20 0 EDADLP COc1ccc(-n2c3ccccc3nc2C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420349144 446525490 /nfs/dbraw/zinc/52/54/90/446525490.db2.gz BVSLFOAJTJDROO-OAHLLOKOSA-N 2 2 340.427 1.786 20 0 EDADLP COc1ccc(-n2c3ccccc3nc2C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420349144 446525499 /nfs/dbraw/zinc/52/54/99/446525499.db2.gz BVSLFOAJTJDROO-OAHLLOKOSA-N 2 2 340.427 1.786 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(F)c1 ZINC000420349282 446525616 /nfs/dbraw/zinc/52/56/16/446525616.db2.gz OHZWKRUKVDVKAQ-GJZGRUSLSA-N 2 2 334.439 1.441 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(F)c1 ZINC000420349282 446525623 /nfs/dbraw/zinc/52/56/23/446525623.db2.gz OHZWKRUKVDVKAQ-GJZGRUSLSA-N 2 2 334.439 1.441 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000420353503 446533209 /nfs/dbraw/zinc/53/32/09/446533209.db2.gz BYVDINBVAOWZBQ-CYBMUJFWSA-N 2 2 336.392 1.026 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1)C2 ZINC000370941790 446533793 /nfs/dbraw/zinc/53/37/93/446533793.db2.gz KSVOWUXHGLLTSV-DEYYWGMASA-N 2 2 348.491 1.976 20 0 EDADLP CCOC(=O)CN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1ccccc1 ZINC000420355456 446535875 /nfs/dbraw/zinc/53/58/75/446535875.db2.gz FFZJQZIHOQWEIZ-OAHLLOKOSA-N 2 2 335.448 1.546 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cscn1 ZINC000423439888 446537318 /nfs/dbraw/zinc/53/73/18/446537318.db2.gz VNXWWMMUUKEWNK-GDBMZVCRSA-N 2 2 330.457 1.924 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cscn1 ZINC000423439888 446537329 /nfs/dbraw/zinc/53/73/29/446537329.db2.gz VNXWWMMUUKEWNK-GDBMZVCRSA-N 2 2 330.457 1.924 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)CN1CC[NH+]1CCOCC1 ZINC000453138186 446546866 /nfs/dbraw/zinc/54/68/66/446546866.db2.gz GZMXVOQHSRBNLR-MJGOQNOKSA-N 2 2 335.492 1.478 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000420371010 446549731 /nfs/dbraw/zinc/54/97/31/446549731.db2.gz WPCNRQKXFMWNSS-KRWDZBQOSA-N 2 2 343.475 1.494 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420373520 446551368 /nfs/dbraw/zinc/55/13/68/446551368.db2.gz ZLAIFJQDQNZCRO-INIZCTEOSA-N 2 2 346.475 1.281 20 0 EDADLP COCCOc1cccc(CNC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420375655 446553114 /nfs/dbraw/zinc/55/31/14/446553114.db2.gz UBBSAYDOXIYZEJ-ZRGWGRIASA-N 2 2 349.475 1.304 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418612022 446616205 /nfs/dbraw/zinc/61/62/05/446616205.db2.gz DXABZZCKCYDSJX-IAGOWNOFSA-N 2 2 338.496 1.256 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418612022 446616210 /nfs/dbraw/zinc/61/62/10/446616210.db2.gz DXABZZCKCYDSJX-IAGOWNOFSA-N 2 2 338.496 1.256 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420395300 446569395 /nfs/dbraw/zinc/56/93/95/446569395.db2.gz TUXMXZGQPBVRSR-GOSISDBHSA-N 2 2 349.475 1.277 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420395300 446569398 /nfs/dbraw/zinc/56/93/98/446569398.db2.gz TUXMXZGQPBVRSR-GOSISDBHSA-N 2 2 349.475 1.277 20 0 EDADLP C[C@H]1CC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1C[NH3+] ZINC000420397008 446570754 /nfs/dbraw/zinc/57/07/54/446570754.db2.gz FSJXZDGCNFXMAD-WCQYABFASA-N 2 2 330.388 1.882 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1C[NH3+] ZINC000420397008 446570758 /nfs/dbraw/zinc/57/07/58/446570758.db2.gz FSJXZDGCNFXMAD-WCQYABFASA-N 2 2 330.388 1.882 20 0 EDADLP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(=O)OC ZINC000376558260 446574101 /nfs/dbraw/zinc/57/41/01/446574101.db2.gz NQMBDUHIKOGUEF-FRFSOERESA-N 2 2 349.431 1.239 20 0 EDADLP CC[C@@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(=O)OC ZINC000376558260 446574105 /nfs/dbraw/zinc/57/41/05/446574105.db2.gz NQMBDUHIKOGUEF-FRFSOERESA-N 2 2 349.431 1.239 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H](C)CC[NH3+] ZINC000418537089 446585457 /nfs/dbraw/zinc/58/54/57/446585457.db2.gz CKTFTHHPILUKBD-BPNCWPANSA-N 2 2 341.431 1.240 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@@H](C)CC[NH3+] ZINC000418537089 446585460 /nfs/dbraw/zinc/58/54/60/446585460.db2.gz CKTFTHHPILUKBD-BPNCWPANSA-N 2 2 341.431 1.240 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000433751534 446594657 /nfs/dbraw/zinc/59/46/57/446594657.db2.gz NHPOKRHEAMQBCL-HRCADAONSA-N 2 2 333.480 1.747 20 0 EDADLP CC[N@H+]1C[C@H](C)N(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@@H]1C ZINC000433751534 446594664 /nfs/dbraw/zinc/59/46/64/446594664.db2.gz NHPOKRHEAMQBCL-HRCADAONSA-N 2 2 333.480 1.747 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2)cc1F ZINC000418692364 446649891 /nfs/dbraw/zinc/64/98/91/446649891.db2.gz FPGLLAHFFNJTLQ-OLZOCXBDSA-N 2 2 338.427 1.397 20 0 EDADLP CCCNC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371156583 446660069 /nfs/dbraw/zinc/66/00/69/446660069.db2.gz KPVVGZUFAYIDIR-UHFFFAOYSA-N 3 2 338.540 1.641 20 0 EDADLP CCCNC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371156583 446660075 /nfs/dbraw/zinc/66/00/75/446660075.db2.gz KPVVGZUFAYIDIR-UHFFFAOYSA-N 3 2 338.540 1.641 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)cn2)CC1 ZINC000368137279 446662565 /nfs/dbraw/zinc/66/25/65/446662565.db2.gz YZPDVCZHZCQDOR-QZTJIDSGSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)cn2)CC1 ZINC000368137279 446662569 /nfs/dbraw/zinc/66/25/69/446662569.db2.gz YZPDVCZHZCQDOR-QZTJIDSGSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cn2)CC1 ZINC000368137279 446662575 /nfs/dbraw/zinc/66/25/75/446662575.db2.gz YZPDVCZHZCQDOR-QZTJIDSGSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cn2)CC1 ZINC000368137279 446662580 /nfs/dbraw/zinc/66/25/80/446662580.db2.gz YZPDVCZHZCQDOR-QZTJIDSGSA-N 3 2 344.507 1.145 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CC[NH2+]CC3(F)F)CC[C@@H]21 ZINC000418748336 446668228 /nfs/dbraw/zinc/66/82/28/446668228.db2.gz BDOUGFVAEDZQMX-MCIONIFRSA-N 2 2 330.423 1.357 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CC[NH2+]CC3(F)F)CC[C@@H]21 ZINC000418748336 446668236 /nfs/dbraw/zinc/66/82/36/446668236.db2.gz BDOUGFVAEDZQMX-MCIONIFRSA-N 2 2 330.423 1.357 20 0 EDADLP C[C@@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423738686 446669969 /nfs/dbraw/zinc/66/99/69/446669969.db2.gz GJPHQHAPLFCGRV-QAPCUYQASA-N 2 2 341.459 1.400 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376715120 446671782 /nfs/dbraw/zinc/67/17/82/446671782.db2.gz JJAKBWJNVXDALD-HOTGVXAUSA-N 2 2 328.460 1.899 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376715120 446671788 /nfs/dbraw/zinc/67/17/88/446671788.db2.gz JJAKBWJNVXDALD-HOTGVXAUSA-N 2 2 328.460 1.899 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423756518 446685686 /nfs/dbraw/zinc/68/56/86/446685686.db2.gz BLEAJOLBFDGYKI-VBQJREDUSA-N 2 2 335.448 1.263 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423756518 446685691 /nfs/dbraw/zinc/68/56/91/446685691.db2.gz BLEAJOLBFDGYKI-VBQJREDUSA-N 2 2 335.448 1.263 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376745478 446692324 /nfs/dbraw/zinc/69/23/24/446692324.db2.gz FMXFUOPJHNAKGZ-VYDXJSESSA-N 2 2 349.479 1.332 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423824197 446713906 /nfs/dbraw/zinc/71/39/06/446713906.db2.gz KHCRHSYOHVEJTP-GZBFAFLISA-N 2 2 327.350 1.717 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423824197 446713915 /nfs/dbraw/zinc/71/39/15/446713915.db2.gz KHCRHSYOHVEJTP-GZBFAFLISA-N 2 2 327.350 1.717 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)CCC2 ZINC000371256977 446720282 /nfs/dbraw/zinc/72/02/82/446720282.db2.gz VVLMSTLUEXLUBK-CQSZACIVSA-N 2 2 345.451 1.649 20 0 EDADLP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423837833 446726935 /nfs/dbraw/zinc/72/69/35/446726935.db2.gz XEXGJWRSLBZZPN-ZBFHGGJFSA-N 2 2 343.830 1.577 20 0 EDADLP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423837833 446726938 /nfs/dbraw/zinc/72/69/38/446726938.db2.gz XEXGJWRSLBZZPN-ZBFHGGJFSA-N 2 2 343.830 1.577 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371301591 446757194 /nfs/dbraw/zinc/75/71/94/446757194.db2.gz VJHRZXHRRFTGHV-CWQOZTLDSA-N 2 2 337.508 1.959 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371301591 446757199 /nfs/dbraw/zinc/75/71/99/446757199.db2.gz VJHRZXHRRFTGHV-CWQOZTLDSA-N 2 2 337.508 1.959 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000423906718 446757335 /nfs/dbraw/zinc/75/73/35/446757335.db2.gz AARQRPJBYSJDQW-YOKBYHGQSA-N 2 2 337.464 1.776 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000423906718 446757340 /nfs/dbraw/zinc/75/73/40/446757340.db2.gz AARQRPJBYSJDQW-YOKBYHGQSA-N 2 2 337.464 1.776 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@H]1CSC[NH2+]1 ZINC000423907857 446758020 /nfs/dbraw/zinc/75/80/20/446758020.db2.gz BUPUHJLGLBQEFZ-GMXVVIOVSA-N 2 2 329.466 1.439 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@H]1CSC[NH2+]1 ZINC000423907857 446758024 /nfs/dbraw/zinc/75/80/24/446758024.db2.gz BUPUHJLGLBQEFZ-GMXVVIOVSA-N 2 2 329.466 1.439 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000423912236 446761251 /nfs/dbraw/zinc/76/12/51/446761251.db2.gz IHRWCGRHOMVOBQ-KBPBESRZSA-N 2 2 337.443 1.110 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923591 446773935 /nfs/dbraw/zinc/77/39/35/446773935.db2.gz CKMNAAPICOKCCM-GJZGRUSLSA-N 2 2 332.448 1.517 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3csc(C)n3)CC2)C1 ZINC000371326906 446776994 /nfs/dbraw/zinc/77/69/94/446776994.db2.gz ROYFYFHAPYEWCW-QGZVFWFLSA-N 2 2 338.521 1.332 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3csc(C)n3)CC2)C1 ZINC000371326906 446776997 /nfs/dbraw/zinc/77/69/97/446776997.db2.gz ROYFYFHAPYEWCW-QGZVFWFLSA-N 2 2 338.521 1.332 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000423928561 446778468 /nfs/dbraw/zinc/77/84/68/446778468.db2.gz KZLZOUYYGDLMJQ-MRXNPFEDSA-N 2 2 346.475 1.907 20 0 EDADLP OC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCOC1 ZINC000411993379 446778640 /nfs/dbraw/zinc/77/86/40/446778640.db2.gz ZCNZNPYGXQDSNU-AQNXPRMDSA-N 2 2 348.487 1.655 20 0 EDADLP OC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCOC1 ZINC000411993379 446778644 /nfs/dbraw/zinc/77/86/44/446778644.db2.gz ZCNZNPYGXQDSNU-AQNXPRMDSA-N 2 2 348.487 1.655 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H]2CCC[NH2+]C2)on1 ZINC000423930393 446782088 /nfs/dbraw/zinc/78/20/88/446782088.db2.gz VXKUCLOOUINGOR-KKUMJFAQSA-N 2 2 338.427 1.353 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H]2CCC[NH2+]C2)on1 ZINC000423930393 446782093 /nfs/dbraw/zinc/78/20/93/446782093.db2.gz VXKUCLOOUINGOR-KKUMJFAQSA-N 2 2 338.427 1.353 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2coc(C[NH3+])c2)C1 ZINC000423934802 446787703 /nfs/dbraw/zinc/78/77/03/446787703.db2.gz ZZOIKTXBWGNJPX-CYBMUJFWSA-N 2 2 330.388 1.493 20 0 EDADLP CCOc1oc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000368371238 446818214 /nfs/dbraw/zinc/81/82/14/446818214.db2.gz UKLYBFSXCXMFTJ-CYBMUJFWSA-N 2 2 336.436 1.280 20 0 EDADLP CCc1nn(C)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371409292 446838139 /nfs/dbraw/zinc/83/81/39/446838139.db2.gz ZTWADZWPEWTNQY-HNNXBMFYSA-N 2 2 333.480 1.223 20 0 EDADLP CCc1nn(C)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371409292 446838141 /nfs/dbraw/zinc/83/81/41/446838141.db2.gz ZTWADZWPEWTNQY-HNNXBMFYSA-N 2 2 333.480 1.223 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000377013009 446859867 /nfs/dbraw/zinc/85/98/67/446859867.db2.gz IDMWBYQGQSISMF-AWEZNQCLSA-N 2 2 334.468 1.503 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000419007783 446862264 /nfs/dbraw/zinc/86/22/64/446862264.db2.gz SBUBOAXDFORWSX-LJQANCHMSA-N 2 2 346.475 1.217 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000419007783 446862271 /nfs/dbraw/zinc/86/22/71/446862271.db2.gz SBUBOAXDFORWSX-LJQANCHMSA-N 2 2 346.475 1.217 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424452464 446873735 /nfs/dbraw/zinc/87/37/35/446873735.db2.gz HMQZQKGHRLUGOC-NSHDSACASA-N 2 2 327.379 1.263 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902873 446879094 /nfs/dbraw/zinc/87/90/94/446879094.db2.gz NLMUYNIRXDZHGO-GOSISDBHSA-N 2 2 331.460 1.571 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902873 446879096 /nfs/dbraw/zinc/87/90/96/446879096.db2.gz NLMUYNIRXDZHGO-GOSISDBHSA-N 2 2 331.460 1.571 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000419046473 446883366 /nfs/dbraw/zinc/88/33/66/446883366.db2.gz YHXQMVBBUHGQGR-OAHLLOKOSA-N 2 2 343.431 1.122 20 0 EDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000368494352 446895821 /nfs/dbraw/zinc/89/58/21/446895821.db2.gz MNAOBVRQHPDXTQ-CYBMUJFWSA-N 2 2 340.374 1.513 20 0 EDADLP O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1c[nH+]c2n1CCCC2 ZINC000375592787 446912382 /nfs/dbraw/zinc/91/23/82/446912382.db2.gz RZYQGFWWSDGEAN-UHFFFAOYSA-N 2 2 346.475 1.871 20 0 EDADLP Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000375591096 446912471 /nfs/dbraw/zinc/91/24/71/446912471.db2.gz LIGMZLNWKPUQGF-GOSISDBHSA-N 2 2 349.523 1.816 20 0 EDADLP Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000375591096 446912476 /nfs/dbraw/zinc/91/24/76/446912476.db2.gz LIGMZLNWKPUQGF-GOSISDBHSA-N 2 2 349.523 1.816 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442798483 446972652 /nfs/dbraw/zinc/97/26/52/446972652.db2.gz XZLUNQWHNZWNQB-JDOFQRQTSA-N 2 2 336.480 1.606 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442798483 446972657 /nfs/dbraw/zinc/97/26/57/446972657.db2.gz XZLUNQWHNZWNQB-JDOFQRQTSA-N 2 2 336.480 1.606 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC000421021801 446993312 /nfs/dbraw/zinc/99/33/12/446993312.db2.gz PZMIYORMAUMSRL-MJGOQNOKSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC000421021801 446993318 /nfs/dbraw/zinc/99/33/18/446993318.db2.gz PZMIYORMAUMSRL-MJGOQNOKSA-N 2 2 345.487 1.484 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000375726751 447005165 /nfs/dbraw/zinc/00/51/65/447005165.db2.gz YCFXJURMKQBNQW-ULQDDVLXSA-N 2 2 339.480 1.883 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000375726751 447005170 /nfs/dbraw/zinc/00/51/70/447005170.db2.gz YCFXJURMKQBNQW-ULQDDVLXSA-N 2 2 339.480 1.883 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413143647 447032140 /nfs/dbraw/zinc/03/21/40/447032140.db2.gz PGBJMEHLVVEQRN-RDJZCZTQSA-N 2 2 341.459 2.346 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc[nH+]1 ZINC000413143647 447032146 /nfs/dbraw/zinc/03/21/46/447032146.db2.gz PGBJMEHLVVEQRN-RDJZCZTQSA-N 2 2 341.459 2.346 20 0 EDADLP CC[NH+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000377278965 447036683 /nfs/dbraw/zinc/03/66/83/447036683.db2.gz FIAITKPBXWCGPP-OAHLLOKOSA-N 2 2 335.452 1.235 20 0 EDADLP Cn1c[nH+]c(CC[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000419281836 447055013 /nfs/dbraw/zinc/05/50/13/447055013.db2.gz HGRCXMXYGCJBMJ-CYBMUJFWSA-N 2 2 337.221 1.541 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000377345517 447081375 /nfs/dbraw/zinc/08/13/75/447081375.db2.gz MCBSNRHEPWYKPC-UHDSXZAQSA-N 2 2 338.496 1.077 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000377345517 447081383 /nfs/dbraw/zinc/08/13/83/447081383.db2.gz MCBSNRHEPWYKPC-UHDSXZAQSA-N 2 2 338.496 1.077 20 0 EDADLP CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000372496644 447088241 /nfs/dbraw/zinc/08/82/41/447088241.db2.gz QJGGZSRTLRLPOY-UHFFFAOYSA-N 2 2 342.443 1.791 20 0 EDADLP CC(C)(O)C[N@H+]1CCCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000372496644 447088248 /nfs/dbraw/zinc/08/82/48/447088248.db2.gz QJGGZSRTLRLPOY-UHFFFAOYSA-N 2 2 342.443 1.791 20 0 EDADLP c1ccc(N2CC[C@H](Nc3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)[nH+]c1 ZINC000372573801 447153111 /nfs/dbraw/zinc/15/31/11/447153111.db2.gz WKURDCXTALMRDG-GJZGRUSLSA-N 2 2 340.431 2.153 20 0 EDADLP CC(C)COC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368820116 447131630 /nfs/dbraw/zinc/13/16/30/447131630.db2.gz BIWBLIHKIVFTHG-UHFFFAOYSA-N 2 2 325.497 1.535 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)[NH+](C)C ZINC000455442673 447133111 /nfs/dbraw/zinc/13/31/11/447133111.db2.gz OFHVODHDCGJWHX-SWLSCSKDSA-N 2 2 333.411 1.898 20 0 EDADLP COCCC[N@@H+]1CCCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000377513610 447173651 /nfs/dbraw/zinc/17/36/51/447173651.db2.gz ZLGHQEVNTNPQMG-UHFFFAOYSA-N 2 2 330.432 1.448 20 0 EDADLP COCCC[N@H+]1CCCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000377513610 447173654 /nfs/dbraw/zinc/17/36/54/447173654.db2.gz ZLGHQEVNTNPQMG-UHFFFAOYSA-N 2 2 330.432 1.448 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368879177 447174622 /nfs/dbraw/zinc/17/46/22/447174622.db2.gz XJXPDHMAXPTJDR-HNNXBMFYSA-N 3 2 339.528 1.184 20 0 EDADLP COC[C@H]([NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1)C1CCOCC1 ZINC000368889545 447183363 /nfs/dbraw/zinc/18/33/63/447183363.db2.gz QWOYMDRVPNWLDT-OKZBNKHCSA-N 2 2 326.481 1.519 20 0 EDADLP CC1CC[NH+](CC2CC[NH+](CC(=O)Nc3nncs3)CC2)CC1 ZINC000368945677 447217579 /nfs/dbraw/zinc/21/75/79/447217579.db2.gz OWHCOGDVNQTGPR-UHFFFAOYSA-N 2 2 337.493 1.921 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000369050015 447288680 /nfs/dbraw/zinc/28/86/80/447288680.db2.gz BDDAUHFCDBMDAO-RBUKOAKNSA-N 2 2 347.503 1.711 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000369050015 447288683 /nfs/dbraw/zinc/28/86/83/447288683.db2.gz BDDAUHFCDBMDAO-RBUKOAKNSA-N 2 2 347.503 1.711 20 0 EDADLP Cc1ccccc1OCC[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000369050015 447288686 /nfs/dbraw/zinc/28/86/86/447288686.db2.gz BDDAUHFCDBMDAO-RBUKOAKNSA-N 2 2 347.503 1.711 20 0 EDADLP CCc1cc(N)nc(SCC(=O)NC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000447796925 447292112 /nfs/dbraw/zinc/29/21/12/447292112.db2.gz ZJWFPERJWQDWSH-UHFFFAOYSA-N 2 2 337.493 1.702 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2CCCN2c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000376089235 447262193 /nfs/dbraw/zinc/26/21/93/447262193.db2.gz QYTIFOYDPCDAPP-CYBMUJFWSA-N 2 2 342.365 1.843 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000458722801 447461501 /nfs/dbraw/zinc/46/15/01/447461501.db2.gz OHGRCTVJAKOVON-LSDHHAIUSA-N 2 2 337.468 1.764 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000458722801 447461502 /nfs/dbraw/zinc/46/15/02/447461502.db2.gz OHGRCTVJAKOVON-LSDHHAIUSA-N 2 2 337.468 1.764 20 0 EDADLP O=C(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000392460459 447523661 /nfs/dbraw/zinc/52/36/61/447523661.db2.gz CHXTXXMDRIKBMR-DZGCQCFKSA-N 2 2 331.416 1.613 20 0 EDADLP O=C(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000392460459 447523664 /nfs/dbraw/zinc/52/36/64/447523664.db2.gz CHXTXXMDRIKBMR-DZGCQCFKSA-N 2 2 331.416 1.613 20 0 EDADLP CCc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)cc[nH+]1 ZINC000450393364 447475349 /nfs/dbraw/zinc/47/53/49/447475349.db2.gz QTZPGEZUCQXZSS-OAHLLOKOSA-N 2 2 332.448 1.013 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427129534 447550011 /nfs/dbraw/zinc/55/00/11/447550011.db2.gz YELNTHZPHGYTIL-HOTGVXAUSA-N 2 2 347.459 1.394 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1OC ZINC000427129534 447550018 /nfs/dbraw/zinc/55/00/18/447550018.db2.gz YELNTHZPHGYTIL-HOTGVXAUSA-N 2 2 347.459 1.394 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398172122 447556687 /nfs/dbraw/zinc/55/66/87/447556687.db2.gz UXVVRKNCZWCHID-UKBAYJJMSA-N 2 2 336.476 1.651 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398172122 447556696 /nfs/dbraw/zinc/55/66/96/447556696.db2.gz UXVVRKNCZWCHID-UKBAYJJMSA-N 2 2 336.476 1.651 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000398477385 447557408 /nfs/dbraw/zinc/55/74/08/447557408.db2.gz JZUSDLGQAAFYPV-GFCCVEGCSA-N 2 2 327.226 1.556 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000398477385 447557415 /nfs/dbraw/zinc/55/74/15/447557415.db2.gz JZUSDLGQAAFYPV-GFCCVEGCSA-N 2 2 327.226 1.556 20 0 EDADLP Cc1c(Cl)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)nn1C ZINC000422553337 447639940 /nfs/dbraw/zinc/63/99/40/447639940.db2.gz JMUCJLBRGVWUPK-NSHDSACASA-N 2 2 339.793 1.308 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000420168577 447651130 /nfs/dbraw/zinc/65/11/30/447651130.db2.gz QJKATYAXZDDDGU-AWEZNQCLSA-N 2 2 347.463 1.010 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416834577 447693841 /nfs/dbraw/zinc/69/38/41/447693841.db2.gz YMEQFVCLVXEGCP-CYBMUJFWSA-N 2 2 326.466 1.030 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc(C)[nH+]1 ZINC000422586782 447654995 /nfs/dbraw/zinc/65/49/95/447654995.db2.gz GRKXHEBCABVJPF-QGZVFWFLSA-N 2 2 344.459 1.401 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451024597 447655708 /nfs/dbraw/zinc/65/57/08/447655708.db2.gz IPTRUMKAVCOFFE-BBWFWOEESA-N 2 2 346.475 1.464 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451024597 447655714 /nfs/dbraw/zinc/65/57/14/447655714.db2.gz IPTRUMKAVCOFFE-BBWFWOEESA-N 2 2 346.475 1.464 20 0 EDADLP CC(C)(CC[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000422589886 447657716 /nfs/dbraw/zinc/65/77/16/447657716.db2.gz KHSUEQPBRPFNQL-UHFFFAOYSA-N 2 2 334.464 1.445 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416913958 447707754 /nfs/dbraw/zinc/70/77/54/447707754.db2.gz OPAILBBBKREVCE-DOMZBBRYSA-N 2 2 333.411 1.803 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422641951 447685073 /nfs/dbraw/zinc/68/50/73/447685073.db2.gz YTSDRMUFOAUTQU-KFWWJZLASA-N 2 2 347.459 1.741 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422641951 447685077 /nfs/dbraw/zinc/68/50/77/447685077.db2.gz YTSDRMUFOAUTQU-KFWWJZLASA-N 2 2 347.459 1.741 20 0 EDADLP [NH3+][C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cscn1 ZINC000422700188 447720888 /nfs/dbraw/zinc/72/08/88/447720888.db2.gz BQLFGZDABZFDAZ-MRXNPFEDSA-N 2 2 330.457 1.877 20 0 EDADLP [NH3+][C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cscn1 ZINC000422700188 447720890 /nfs/dbraw/zinc/72/08/90/447720890.db2.gz BQLFGZDABZFDAZ-MRXNPFEDSA-N 2 2 330.457 1.877 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422723561 447729185 /nfs/dbraw/zinc/72/91/85/447729185.db2.gz RUMVNHSPYNEOSX-VQIMIIECSA-N 3 2 333.476 1.628 20 0 EDADLP C[C@@H](NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CCC[NH2+]1 ZINC000422723561 447729186 /nfs/dbraw/zinc/72/91/86/447729186.db2.gz RUMVNHSPYNEOSX-VQIMIIECSA-N 2 2 333.476 1.628 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000422729564 447731114 /nfs/dbraw/zinc/73/11/14/447731114.db2.gz KXXGQLFRNYCSFO-ROUUACIJSA-N 2 2 331.460 1.534 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458167094 447734453 /nfs/dbraw/zinc/73/44/53/447734453.db2.gz RMXRKDLVFKVDHJ-CALCHBBNSA-N 2 2 338.496 1.413 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458167094 447734457 /nfs/dbraw/zinc/73/44/57/447734457.db2.gz RMXRKDLVFKVDHJ-CALCHBBNSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccc(CCC[NH2+]CC2(N3CCOCC3)CCOCC2)c[nH+]1 ZINC000459664247 447735869 /nfs/dbraw/zinc/73/58/69/447735869.db2.gz AWTMNQSIBSDTMD-UHFFFAOYSA-N 2 2 333.476 1.794 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422834519 447764824 /nfs/dbraw/zinc/76/48/24/447764824.db2.gz HRCXPPQHNFWGHG-QFBILLFUSA-N 3 2 347.503 1.500 20 0 EDADLP C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000422767154 447744119 /nfs/dbraw/zinc/74/41/19/447744119.db2.gz YETLPOZMIGUEIM-DOTOQJQBSA-N 2 2 326.444 1.978 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000422786365 447750643 /nfs/dbraw/zinc/75/06/43/447750643.db2.gz QHBUUSQEJRHILK-WMLDXEAASA-N 2 2 337.439 1.519 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422797339 447753214 /nfs/dbraw/zinc/75/32/14/447753214.db2.gz MDVHDXXUYLGPQM-MCIONIFRSA-N 2 2 344.858 1.987 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000422840758 447765682 /nfs/dbraw/zinc/76/56/82/447765682.db2.gz CAWAYPVOKHJTTM-BRWVUGGUSA-N 2 2 325.497 1.626 20 0 EDADLP C[C@]12CC[N@H+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C[C@H]1C2(F)F ZINC000496342941 447757467 /nfs/dbraw/zinc/75/74/67/447757467.db2.gz JJRDBGTVBURMMJ-KBMXLJTQSA-N 2 2 341.402 1.838 20 0 EDADLP C[C@]12CC[N@@H+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C[C@H]1C2(F)F ZINC000496342941 447757473 /nfs/dbraw/zinc/75/74/73/447757473.db2.gz JJRDBGTVBURMMJ-KBMXLJTQSA-N 2 2 341.402 1.838 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422827983 447761520 /nfs/dbraw/zinc/76/15/20/447761520.db2.gz AKFKVJNHWGRKII-DSLXNQLJSA-N 2 2 345.487 1.923 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422827983 447761522 /nfs/dbraw/zinc/76/15/22/447761522.db2.gz AKFKVJNHWGRKII-DSLXNQLJSA-N 2 2 345.487 1.923 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422914451 447771508 /nfs/dbraw/zinc/77/15/08/447771508.db2.gz UGQLCYOQTDTZHG-YJBOKZPZSA-N 3 2 332.492 1.598 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430551041 447776360 /nfs/dbraw/zinc/77/63/60/447776360.db2.gz HMLNDQUGTMMACZ-OAHLLOKOSA-N 2 2 348.491 1.663 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430551041 447776362 /nfs/dbraw/zinc/77/63/62/447776362.db2.gz HMLNDQUGTMMACZ-OAHLLOKOSA-N 2 2 348.491 1.663 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000430555577 447777158 /nfs/dbraw/zinc/77/71/58/447777158.db2.gz IZGUEWKDGIYPJO-HUUCEWRRSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000430555577 447777160 /nfs/dbraw/zinc/77/71/60/447777160.db2.gz IZGUEWKDGIYPJO-HUUCEWRRSA-N 2 2 344.459 1.811 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430565190 447780413 /nfs/dbraw/zinc/78/04/13/447780413.db2.gz OQKRCJBXMWUGAD-ZFWWWQNUSA-N 2 2 332.448 1.434 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430565190 447780416 /nfs/dbraw/zinc/78/04/16/447780416.db2.gz OQKRCJBXMWUGAD-ZFWWWQNUSA-N 2 2 332.448 1.434 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430579671 447781416 /nfs/dbraw/zinc/78/14/16/447781416.db2.gz RCWGMDFJONNPHN-JKSUJKDBSA-N 2 2 349.475 1.640 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430579671 447781417 /nfs/dbraw/zinc/78/14/17/447781417.db2.gz RCWGMDFJONNPHN-JKSUJKDBSA-N 2 2 349.475 1.640 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430929314 447788389 /nfs/dbraw/zinc/78/83/89/447788389.db2.gz OTAIFKWQHMBFQE-VNHYZAJKSA-N 2 2 335.448 1.378 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000430929314 447788393 /nfs/dbraw/zinc/78/83/93/447788393.db2.gz OTAIFKWQHMBFQE-VNHYZAJKSA-N 2 2 335.448 1.378 20 0 EDADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422998505 447789718 /nfs/dbraw/zinc/78/97/18/447789718.db2.gz CZDKWBCQWDSDQC-XHSDSOJGSA-N 2 2 340.489 1.596 20 0 EDADLP COCCCOc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423000678 447790248 /nfs/dbraw/zinc/79/02/48/447790248.db2.gz HCOAZRPNFYCFRO-RTBURBONSA-N 2 2 334.460 1.959 20 0 EDADLP c1nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)n(-c2ccccc2)n1 ZINC000423084183 447801901 /nfs/dbraw/zinc/80/19/01/447801901.db2.gz HPCGWHUFTNRLPZ-BRWVUGGUSA-N 2 2 327.432 1.514 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCO[C@@H](CC)C2)C1 ZINC000488393472 447846442 /nfs/dbraw/zinc/84/64/42/447846442.db2.gz RSRJRDZPNMSGAK-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCO[C@@H](CC)C2)C1 ZINC000488393472 447846443 /nfs/dbraw/zinc/84/64/43/447846443.db2.gz RSRJRDZPNMSGAK-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)C1 ZINC000488393472 447846444 /nfs/dbraw/zinc/84/64/44/447846444.db2.gz RSRJRDZPNMSGAK-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2CCO[C@@H](CC)C2)C1 ZINC000488393472 447846445 /nfs/dbraw/zinc/84/64/45/447846445.db2.gz RSRJRDZPNMSGAK-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000549126782 447865007 /nfs/dbraw/zinc/86/50/07/447865007.db2.gz JUGUEAVGZGLEEX-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000549126782 447865008 /nfs/dbraw/zinc/86/50/08/447865008.db2.gz JUGUEAVGZGLEEX-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000549126782 447865014 /nfs/dbraw/zinc/86/50/14/447865014.db2.gz JUGUEAVGZGLEEX-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccccc1 ZINC000523115251 447874135 /nfs/dbraw/zinc/87/41/35/447874135.db2.gz SKVPMSDBGVWAPE-MRXNPFEDSA-N 2 2 336.399 1.695 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N[C@@H]3CCn4cc[nH+]c4C3)[nH+]cn2)C1 ZINC000489945047 447880743 /nfs/dbraw/zinc/88/07/43/447880743.db2.gz MNCPVJMSUFHVPD-ZIAGYGMSSA-N 2 2 328.420 1.309 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N[C@@H]3CCn4cc[nH+]c4C3)nc[nH+]2)C1 ZINC000489945047 447880745 /nfs/dbraw/zinc/88/07/45/447880745.db2.gz MNCPVJMSUFHVPD-ZIAGYGMSSA-N 2 2 328.420 1.309 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000523540602 447891409 /nfs/dbraw/zinc/89/14/09/447891409.db2.gz DHHJFCOIPKGZSB-AWEZNQCLSA-N 2 2 326.404 1.220 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000576000238 447947685 /nfs/dbraw/zinc/94/76/85/447947685.db2.gz YNYMLETWIZTZOE-RDJZCZTQSA-N 2 2 338.448 1.342 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000576000238 447947691 /nfs/dbraw/zinc/94/76/91/447947691.db2.gz YNYMLETWIZTZOE-RDJZCZTQSA-N 2 2 338.448 1.342 20 0 EDADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])COCc1ccccc1 ZINC000575899318 447925292 /nfs/dbraw/zinc/92/52/92/447925292.db2.gz HGHVVQBVAAZIOU-WBVHZDCISA-N 2 2 334.464 1.124 20 0 EDADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])COCc1ccccc1 ZINC000575899318 447925298 /nfs/dbraw/zinc/92/52/98/447925298.db2.gz HGHVVQBVAAZIOU-WBVHZDCISA-N 2 2 334.464 1.124 20 0 EDADLP C[C@@H](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)n1cc[nH+]c1 ZINC000576231068 448005845 /nfs/dbraw/zinc/00/58/45/448005845.db2.gz YNLUHQZGKWQSKF-AWEZNQCLSA-N 2 2 329.404 1.382 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496854603 447972179 /nfs/dbraw/zinc/97/21/79/447972179.db2.gz GTUBTHDPUBLWLP-SZMVWBNQSA-N 2 2 347.459 1.754 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000570683929 448050447 /nfs/dbraw/zinc/05/04/47/448050447.db2.gz LJIFGAYKDBVWIG-IYBDPMFKSA-N 2 2 330.432 1.027 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000497301369 448054949 /nfs/dbraw/zinc/05/49/49/448054949.db2.gz QCJMEADKORAWIJ-KRWDZBQOSA-N 2 2 341.496 1.680 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000497301369 448054954 /nfs/dbraw/zinc/05/49/54/448054954.db2.gz QCJMEADKORAWIJ-KRWDZBQOSA-N 2 2 341.496 1.680 20 0 EDADLP COc1c(N)[nH+]cnc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000570738661 448058480 /nfs/dbraw/zinc/05/84/80/448058480.db2.gz CUVVLNGRKRIGPC-UHFFFAOYSA-N 2 2 342.447 1.692 20 0 EDADLP COc1c(N)nc[nH+]c1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000570738661 448058485 /nfs/dbraw/zinc/05/84/85/448058485.db2.gz CUVVLNGRKRIGPC-UHFFFAOYSA-N 2 2 342.447 1.692 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](CNc2cc(NC[C@H]3CCC[C@@H]([NH3+])C3)nc[nH+]2)C1 ZINC000570739936 448058752 /nfs/dbraw/zinc/05/87/52/448058752.db2.gz GRMPUONERDPPHZ-QKPAOTATSA-N 3 2 332.496 2.335 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](CNc2cc(NC[C@H]3CCC[C@@H]([NH3+])C3)[nH+]cn2)C1 ZINC000570739936 448058755 /nfs/dbraw/zinc/05/87/55/448058755.db2.gz GRMPUONERDPPHZ-QKPAOTATSA-N 3 2 332.496 2.335 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)n1 ZINC000576528342 448077396 /nfs/dbraw/zinc/07/73/96/448077396.db2.gz IGEYDJUBHZEUMG-UHFFFAOYSA-N 2 2 338.415 1.560 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000555808487 448092522 /nfs/dbraw/zinc/09/25/22/448092522.db2.gz YYHQZSKSXAZFDM-ZOBUZTSGSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000555808487 448092527 /nfs/dbraw/zinc/09/25/27/448092527.db2.gz YYHQZSKSXAZFDM-ZOBUZTSGSA-N 2 2 338.496 1.412 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000570784850 448062911 /nfs/dbraw/zinc/06/29/11/448062911.db2.gz ZBWOMJJXMLPNSH-HOTGVXAUSA-N 3 2 349.479 1.091 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000570784850 448062912 /nfs/dbraw/zinc/06/29/12/448062912.db2.gz ZBWOMJJXMLPNSH-HOTGVXAUSA-N 3 2 349.479 1.091 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3cc(C)no3)CC2)CC1 ZINC000576858800 448156551 /nfs/dbraw/zinc/15/65/51/448156551.db2.gz HNXXAUPNOGQFFB-UHFFFAOYSA-N 2 2 349.479 1.685 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3cc(C)no3)CC2)CC1 ZINC000576858800 448156557 /nfs/dbraw/zinc/15/65/57/448156557.db2.gz HNXXAUPNOGQFFB-UHFFFAOYSA-N 2 2 349.479 1.685 20 0 EDADLP Cn1c2nnc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2c2ccsc2c1=O ZINC000571404783 448149361 /nfs/dbraw/zinc/14/93/61/448149361.db2.gz YQHLVUFTTZQACW-NSHDSACASA-N 2 2 346.460 1.204 20 0 EDADLP Cn1c2nnc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)n2c2ccsc2c1=O ZINC000571404783 448149362 /nfs/dbraw/zinc/14/93/62/448149362.db2.gz YQHLVUFTTZQACW-NSHDSACASA-N 2 2 346.460 1.204 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571618259 448178824 /nfs/dbraw/zinc/17/88/24/448178824.db2.gz XQVFWLCGSIAVEX-TWMKSMIVSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571618259 448178831 /nfs/dbraw/zinc/17/88/31/448178831.db2.gz XQVFWLCGSIAVEX-TWMKSMIVSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571618259 448178837 /nfs/dbraw/zinc/17/88/37/448178837.db2.gz XQVFWLCGSIAVEX-TWMKSMIVSA-N 2 2 338.496 1.269 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000577013341 448193018 /nfs/dbraw/zinc/19/30/18/448193018.db2.gz QTAFOVXZNVIXSG-HNNXBMFYSA-N 2 2 346.475 1.859 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000577013341 448193023 /nfs/dbraw/zinc/19/30/23/448193023.db2.gz QTAFOVXZNVIXSG-HNNXBMFYSA-N 2 2 346.475 1.859 20 0 EDADLP C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[C@H](C)[NH+]1CCOCC1 ZINC000514588885 448167299 /nfs/dbraw/zinc/16/72/99/448167299.db2.gz DBYUBMUZNFIPIC-YDHLFZDLSA-N 2 2 347.463 1.128 20 0 EDADLP CCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000571896248 448232001 /nfs/dbraw/zinc/23/20/01/448232001.db2.gz ZPIJFWRQNQPMJT-CABCVRRESA-N 2 2 333.432 1.228 20 0 EDADLP CCCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000571896248 448232006 /nfs/dbraw/zinc/23/20/06/448232006.db2.gz ZPIJFWRQNQPMJT-CABCVRRESA-N 2 2 333.432 1.228 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@H]3CCC[N@H+](CCCO)C3)[nH+]c12 ZINC000577341350 448268844 /nfs/dbraw/zinc/26/88/44/448268844.db2.gz MFFKGHBGJJSLES-HNNXBMFYSA-N 2 2 330.432 1.148 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@H]3CCC[N@@H+](CCCO)C3)[nH+]c12 ZINC000577341350 448268851 /nfs/dbraw/zinc/26/88/51/448268851.db2.gz MFFKGHBGJJSLES-HNNXBMFYSA-N 2 2 330.432 1.148 20 0 EDADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000577271118 448252720 /nfs/dbraw/zinc/25/27/20/448252720.db2.gz VVXCHUQXSRPIGM-WMZOPIPTSA-N 2 2 342.447 1.381 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)ccn12 ZINC000582495882 448256256 /nfs/dbraw/zinc/25/62/56/448256256.db2.gz CDUARXNUAJGKBK-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)ccn12 ZINC000582495882 448256259 /nfs/dbraw/zinc/25/62/59/448256259.db2.gz CDUARXNUAJGKBK-CQSZACIVSA-N 2 2 330.432 1.560 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527577484 448307137 /nfs/dbraw/zinc/30/71/37/448307137.db2.gz IUDUIQLCTABIGD-MRXNPFEDSA-N 2 2 337.464 1.403 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527577484 448307140 /nfs/dbraw/zinc/30/71/40/448307140.db2.gz IUDUIQLCTABIGD-MRXNPFEDSA-N 2 2 337.464 1.403 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000572177004 448308023 /nfs/dbraw/zinc/30/80/23/448308023.db2.gz MWNPIUBKVITTEV-HNNXBMFYSA-N 2 2 334.464 1.740 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000572177004 448308029 /nfs/dbraw/zinc/30/80/29/448308029.db2.gz MWNPIUBKVITTEV-HNNXBMFYSA-N 2 2 334.464 1.740 20 0 EDADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577508905 448317316 /nfs/dbraw/zinc/31/73/16/448317316.db2.gz NCIQKJLYNVDGLR-HONMWMINSA-N 2 2 338.249 1.754 20 0 EDADLP C[C@H](c1cccc(Br)c1)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577508905 448317323 /nfs/dbraw/zinc/31/73/23/448317323.db2.gz NCIQKJLYNVDGLR-HONMWMINSA-N 2 2 338.249 1.754 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)s1 ZINC000515233052 448279170 /nfs/dbraw/zinc/27/91/70/448279170.db2.gz FGHQRMASEAVNDS-STQMWFEESA-N 2 2 331.507 1.455 20 0 EDADLP COC(C)(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000532647767 448290080 /nfs/dbraw/zinc/29/00/80/448290080.db2.gz YZUZVLOUVMZWQP-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP COC(C)(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000532647767 448290082 /nfs/dbraw/zinc/29/00/82/448290082.db2.gz YZUZVLOUVMZWQP-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000583079191 448418799 /nfs/dbraw/zinc/41/87/99/448418799.db2.gz LWBAOIUFQWBEFZ-FQEVSTJZSA-N 3 2 347.503 1.188 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000583079191 448418802 /nfs/dbraw/zinc/41/88/02/448418802.db2.gz LWBAOIUFQWBEFZ-FQEVSTJZSA-N 3 2 347.503 1.188 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc4n3CCCCC4)C2)CC1 ZINC000572506495 448397505 /nfs/dbraw/zinc/39/75/05/448397505.db2.gz YPEOXHGHRQOXDU-KRWDZBQOSA-N 2 2 346.523 1.605 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)C2)CC1 ZINC000572506495 448397510 /nfs/dbraw/zinc/39/75/10/448397510.db2.gz YPEOXHGHRQOXDU-KRWDZBQOSA-N 2 2 346.523 1.605 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)Nc3ccncc3)CC2)C[C@H](C)O1 ZINC000533415822 448398431 /nfs/dbraw/zinc/39/84/31/448398431.db2.gz UGTUXLRFNZHTFE-IYBDPMFKSA-N 2 2 346.475 1.263 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)Nc3ccncc3)CC2)C[C@H](C)O1 ZINC000533415822 448398436 /nfs/dbraw/zinc/39/84/36/448398436.db2.gz UGTUXLRFNZHTFE-IYBDPMFKSA-N 2 2 346.475 1.263 20 0 EDADLP O=S(=O)(NCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000577845417 448400965 /nfs/dbraw/zinc/40/09/65/448400965.db2.gz DSJCRDUPRAYFEV-DOTOQJQBSA-N 2 2 337.489 1.429 20 0 EDADLP O=S(=O)(NCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000577845417 448400971 /nfs/dbraw/zinc/40/09/71/448400971.db2.gz DSJCRDUPRAYFEV-DOTOQJQBSA-N 2 2 337.489 1.429 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)NCC1([NH+]2CCOCC2)CC1 ZINC000516263106 448405322 /nfs/dbraw/zinc/40/53/22/448405322.db2.gz YUZGZGQJJLVWGT-QGZVFWFLSA-N 2 2 344.459 1.037 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3C[NH2+]Cc4ccccc43)CC2)cc[nH+]1 ZINC000566196788 448412452 /nfs/dbraw/zinc/41/24/52/448412452.db2.gz XTSPBBYWVWHRJO-QGZVFWFLSA-N 2 2 337.427 1.321 20 0 EDADLP C[C@@H](Cc1[nH]cc[nH+]1)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000516336258 448414093 /nfs/dbraw/zinc/41/40/93/448414093.db2.gz GKLYLJWFXVSUJW-AWEZNQCLSA-N 2 2 348.472 1.763 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000533865561 448427547 /nfs/dbraw/zinc/42/75/47/448427547.db2.gz QRPCMRDTCDQYKZ-GDBMZVCRSA-N 2 2 342.443 1.923 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000533865561 448427551 /nfs/dbraw/zinc/42/75/51/448427551.db2.gz QRPCMRDTCDQYKZ-GDBMZVCRSA-N 2 2 342.443 1.923 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000566243118 448427890 /nfs/dbraw/zinc/42/78/90/448427890.db2.gz YHUBVUMSGZBCNA-QZTJIDSGSA-N 2 2 345.487 1.846 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000566243118 448427895 /nfs/dbraw/zinc/42/78/95/448427895.db2.gz YHUBVUMSGZBCNA-QZTJIDSGSA-N 2 2 345.487 1.846 20 0 EDADLP Cc1nc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)c2c([nH+]1)CCCC2 ZINC000528132816 448440958 /nfs/dbraw/zinc/44/09/58/448440958.db2.gz OCZSBHMECOKNOF-IBGZPJMESA-N 2 2 346.475 1.692 20 0 EDADLP Cc1nc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)c2c([nH+]1)CCCC2 ZINC000528132816 448440963 /nfs/dbraw/zinc/44/09/63/448440963.db2.gz OCZSBHMECOKNOF-IBGZPJMESA-N 2 2 346.475 1.692 20 0 EDADLP CC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000578047269 448448714 /nfs/dbraw/zinc/44/87/14/448448714.db2.gz PACJMVYHHJBUKR-LBPRGKRZSA-N 2 2 339.827 1.405 20 0 EDADLP Cc1cc(NC(=O)COCC(=O)Nc2cc(C)[nH+]cc2C)c(C)c[nH+]1 ZINC000535035354 448477137 /nfs/dbraw/zinc/47/71/37/448477137.db2.gz WRQFDJSPLZMXSM-UHFFFAOYSA-N 2 2 342.399 1.148 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccn(CC[NH+](C)C)n2)CC1(C)C ZINC000566469036 448483976 /nfs/dbraw/zinc/48/39/76/448483976.db2.gz SOMHMKXUYOLGBD-CQSZACIVSA-N 2 2 330.436 1.402 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000572862440 448484305 /nfs/dbraw/zinc/48/43/05/448484305.db2.gz GDDROUWUDCDCSF-UHFFFAOYSA-N 2 2 340.387 1.368 20 0 EDADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000584341678 448489993 /nfs/dbraw/zinc/48/99/93/448489993.db2.gz IJUYIZRLFSGLQV-HOCLYGCPSA-N 2 2 344.459 1.265 20 0 EDADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000584341678 448489997 /nfs/dbraw/zinc/48/99/97/448489997.db2.gz IJUYIZRLFSGLQV-HOCLYGCPSA-N 2 2 344.459 1.265 20 0 EDADLP C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584351534 448495331 /nfs/dbraw/zinc/49/53/31/448495331.db2.gz OBVSHSAXDQLHLZ-GJZGRUSLSA-N 2 2 342.447 1.411 20 0 EDADLP C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000584351534 448495334 /nfs/dbraw/zinc/49/53/34/448495334.db2.gz OBVSHSAXDQLHLZ-GJZGRUSLSA-N 2 2 342.447 1.411 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000566561624 448507621 /nfs/dbraw/zinc/50/76/21/448507621.db2.gz KTQDQGZHHMZZGU-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000566561624 448507623 /nfs/dbraw/zinc/50/76/23/448507623.db2.gz KTQDQGZHHMZZGU-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000566786842 448558919 /nfs/dbraw/zinc/55/89/19/448558919.db2.gz GGMVXMGQIXLVAE-UHIISALHSA-N 2 2 342.365 1.244 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000566786842 448558923 /nfs/dbraw/zinc/55/89/23/448558923.db2.gz GGMVXMGQIXLVAE-UHIISALHSA-N 2 2 342.365 1.244 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000517337693 448573349 /nfs/dbraw/zinc/57/33/49/448573349.db2.gz GEMGIBOXFZLIKO-INIZCTEOSA-N 2 2 346.475 1.665 20 0 EDADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000536850105 448545668 /nfs/dbraw/zinc/54/56/68/448545668.db2.gz FLQLWJGYINOPDL-DJIMGWMZSA-N 2 2 344.521 1.433 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000573117644 448549842 /nfs/dbraw/zinc/54/98/42/448549842.db2.gz IXORVMFTLYPWAF-JKSUJKDBSA-N 2 2 334.464 1.518 20 0 EDADLP COCC[N@H+](C)C[C@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000578453175 448550937 /nfs/dbraw/zinc/55/09/37/448550937.db2.gz IOVXNQBXVSESFZ-JTQLQIEISA-N 2 2 332.326 1.389 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000578453175 448550941 /nfs/dbraw/zinc/55/09/41/448550941.db2.gz IOVXNQBXVSESFZ-JTQLQIEISA-N 2 2 332.326 1.389 20 0 EDADLP CCC(CC)[C@H](C(=O)NCc1ccc(C[NH3+])cc1)[NH+]1CCOCC1 ZINC000584723546 448610585 /nfs/dbraw/zinc/61/05/85/448610585.db2.gz YWPPZUKMGSJIGI-GOSISDBHSA-N 2 2 333.476 1.899 20 0 EDADLP COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@H]1CCC[NH2+]CC1)[nH]c2=O ZINC000517742363 448613243 /nfs/dbraw/zinc/61/32/43/448613243.db2.gz BJENEBRHQDRYNC-ZDUSSCGKSA-N 2 2 344.415 1.696 20 0 EDADLP COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@H]1CCC[NH2+]CC1)[nH]c2=O ZINC000517742363 448613247 /nfs/dbraw/zinc/61/32/47/448613247.db2.gz BJENEBRHQDRYNC-ZDUSSCGKSA-N 2 2 344.415 1.696 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000578587517 448584275 /nfs/dbraw/zinc/58/42/75/448584275.db2.gz HBNPHERTHRNDIE-GJZGRUSLSA-N 2 2 348.447 1.206 20 0 EDADLP O=C(NCCNc1ccc2ccccc2[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000517546978 448590656 /nfs/dbraw/zinc/59/06/56/448590656.db2.gz MLXCUWFOLCCXDW-HNNXBMFYSA-N 2 2 339.443 2.183 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000566968514 448594263 /nfs/dbraw/zinc/59/42/63/448594263.db2.gz VWSOPZAXSLOJFN-QGZVFWFLSA-N 2 2 342.443 2.566 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000566968514 448594268 /nfs/dbraw/zinc/59/42/68/448594268.db2.gz VWSOPZAXSLOJFN-QGZVFWFLSA-N 2 2 342.443 2.566 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000538762597 448596708 /nfs/dbraw/zinc/59/67/08/448596708.db2.gz YWMDXFISYUMTQO-LJQANCHMSA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000538762597 448596714 /nfs/dbraw/zinc/59/67/14/448596714.db2.gz YWMDXFISYUMTQO-LJQANCHMSA-N 2 2 338.455 1.973 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)[C@H](C[NH3+])C1 ZINC000518132686 448647585 /nfs/dbraw/zinc/64/75/85/448647585.db2.gz AANZQQYHLOBFAU-CYBMUJFWSA-N 2 2 348.838 1.632 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)[C@H](C[NH3+])C1 ZINC000518132686 448647589 /nfs/dbraw/zinc/64/75/89/448647589.db2.gz AANZQQYHLOBFAU-CYBMUJFWSA-N 2 2 348.838 1.632 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000584847283 448655177 /nfs/dbraw/zinc/65/51/77/448655177.db2.gz JRQXXUREXMZWIZ-CQSZACIVSA-N 2 2 334.464 1.337 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000584847283 448655181 /nfs/dbraw/zinc/65/51/81/448655181.db2.gz JRQXXUREXMZWIZ-CQSZACIVSA-N 2 2 334.464 1.337 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H](C[NH3+])C1 ZINC000518339130 448666444 /nfs/dbraw/zinc/66/64/44/448666444.db2.gz LDSNETXTKDFOLD-RDJZCZTQSA-N 2 2 348.447 1.351 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H](C[NH3+])C1 ZINC000518339130 448666451 /nfs/dbraw/zinc/66/64/51/448666451.db2.gz LDSNETXTKDFOLD-RDJZCZTQSA-N 2 2 348.447 1.351 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000517948700 448633089 /nfs/dbraw/zinc/63/30/89/448633089.db2.gz ZOVZKNMIASXBKU-QGZVFWFLSA-N 2 2 344.463 1.520 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000517948700 448633092 /nfs/dbraw/zinc/63/30/92/448633092.db2.gz ZOVZKNMIASXBKU-QGZVFWFLSA-N 2 2 344.463 1.520 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000567435129 448691630 /nfs/dbraw/zinc/69/16/30/448691630.db2.gz AYMAZPFLOAGPLR-QAETUUGQSA-N 2 2 338.471 1.815 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000567435129 448691632 /nfs/dbraw/zinc/69/16/32/448691632.db2.gz AYMAZPFLOAGPLR-QAETUUGQSA-N 2 2 338.471 1.815 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000567454998 448697234 /nfs/dbraw/zinc/69/72/34/448697234.db2.gz KXNDUWROBBODIL-GDBMZVCRSA-N 2 2 325.416 1.384 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000518771222 448709078 /nfs/dbraw/zinc/70/90/78/448709078.db2.gz LVIIHYARMGSHBS-HNNXBMFYSA-N 2 2 326.444 1.564 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000518771222 448709082 /nfs/dbraw/zinc/70/90/82/448709082.db2.gz LVIIHYARMGSHBS-HNNXBMFYSA-N 2 2 326.444 1.564 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000573824299 448724653 /nfs/dbraw/zinc/72/46/53/448724653.db2.gz RGKNPLILIDCPNI-LJQANCHMSA-N 2 2 331.460 1.429 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000573824299 448724655 /nfs/dbraw/zinc/72/46/55/448724655.db2.gz RGKNPLILIDCPNI-LJQANCHMSA-N 2 2 331.460 1.429 20 0 EDADLP Cc1cc(OCc2ccccc2)nc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000519122057 448743577 /nfs/dbraw/zinc/74/35/77/448743577.db2.gz KFIZGHIORCXCGN-INIZCTEOSA-N 2 2 327.432 1.443 20 0 EDADLP Cc1cc(OCc2ccccc2)nc(N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000519122057 448743580 /nfs/dbraw/zinc/74/35/80/448743580.db2.gz KFIZGHIORCXCGN-INIZCTEOSA-N 2 2 327.432 1.443 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000529289173 448809430 /nfs/dbraw/zinc/80/94/30/448809430.db2.gz ZGOQAPCUOGCLSI-HNNXBMFYSA-N 2 2 328.420 1.407 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000519609597 448799615 /nfs/dbraw/zinc/79/96/15/448799615.db2.gz KWLDMOIPTTWSPM-HRCADAONSA-N 2 2 347.459 1.487 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000519609597 448799619 /nfs/dbraw/zinc/79/96/19/448799619.db2.gz KWLDMOIPTTWSPM-HRCADAONSA-N 2 2 347.459 1.487 20 0 EDADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2=O)C1 ZINC000568163291 448824661 /nfs/dbraw/zinc/82/46/61/448824661.db2.gz UBSQMDKJLPPRKG-NVXWUHKLSA-N 2 2 347.434 1.427 20 0 EDADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2=O)C1 ZINC000568163291 448824667 /nfs/dbraw/zinc/82/46/67/448824667.db2.gz UBSQMDKJLPPRKG-NVXWUHKLSA-N 2 2 347.434 1.427 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN([C@H](C)c3nccc(N)n3)CC2)CC1 ZINC000579609272 448834916 /nfs/dbraw/zinc/83/49/16/448834916.db2.gz RSDYPAOWUIDGEP-OAHLLOKOSA-N 2 2 332.496 1.610 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000529368970 448843570 /nfs/dbraw/zinc/84/35/70/448843570.db2.gz WBEMBSAPMCLXDM-GXTWGEPZSA-N 2 2 334.468 1.699 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000519817757 448851552 /nfs/dbraw/zinc/85/15/52/448851552.db2.gz IDDKQEBYPZVRHS-JTDSTZFVSA-N 2 2 344.459 1.432 20 0 EDADLP CC[NH+]1CCC(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000574348724 448851901 /nfs/dbraw/zinc/85/19/01/448851901.db2.gz BAJAVUGUORKJIR-INIZCTEOSA-N 2 2 333.480 1.829 20 0 EDADLP CC[NH+]1CCC(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000574348724 448851907 /nfs/dbraw/zinc/85/19/07/448851907.db2.gz BAJAVUGUORKJIR-INIZCTEOSA-N 2 2 333.480 1.829 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000520219000 448871982 /nfs/dbraw/zinc/87/19/82/448871982.db2.gz LZHKESMZVKPSAF-OALUTQOASA-N 2 2 348.487 1.797 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000520219000 448871991 /nfs/dbraw/zinc/87/19/91/448871991.db2.gz LZHKESMZVKPSAF-OALUTQOASA-N 2 2 348.487 1.797 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000592489674 448859726 /nfs/dbraw/zinc/85/97/26/448859726.db2.gz ZKFGTQGWKLQBSD-SWLSCSKDSA-N 2 2 334.420 1.403 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000592489674 448859729 /nfs/dbraw/zinc/85/97/29/448859729.db2.gz ZKFGTQGWKLQBSD-SWLSCSKDSA-N 2 2 334.420 1.403 20 0 EDADLP COC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000579885660 448901465 /nfs/dbraw/zinc/90/14/65/448901465.db2.gz DLPIJHQNFKKXIR-CVEARBPZSA-N 2 2 334.464 1.379 20 0 EDADLP COc1ccc(C[C@@H](C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000569215115 448981107 /nfs/dbraw/zinc/98/11/07/448981107.db2.gz CXBQSCDUWPIAKM-ZBFHGGJFSA-N 2 2 334.464 1.158 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)nc(C(C)C)[nH+]1 ZINC000529844051 448981341 /nfs/dbraw/zinc/98/13/41/448981341.db2.gz ATQXLJACSPUAPY-CQSZACIVSA-N 2 2 342.447 1.896 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000574741345 448943805 /nfs/dbraw/zinc/94/38/05/448943805.db2.gz XBUUUOSSOZYPSV-IAGOWNOFSA-N 3 2 339.528 1.027 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000574741345 448943808 /nfs/dbraw/zinc/94/38/08/448943808.db2.gz XBUUUOSSOZYPSV-IAGOWNOFSA-N 3 2 339.528 1.027 20 0 EDADLP CCCCOc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000574974322 449002537 /nfs/dbraw/zinc/00/25/37/449002537.db2.gz SNXNJSSOTZBHDC-INIZCTEOSA-N 2 2 334.464 1.650 20 0 EDADLP CCCCOc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000574974322 449002543 /nfs/dbraw/zinc/00/25/43/449002543.db2.gz SNXNJSSOTZBHDC-INIZCTEOSA-N 2 2 334.464 1.650 20 0 EDADLP C[C@H](OCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000521841006 449017680 /nfs/dbraw/zinc/01/76/80/449017680.db2.gz QFJUFNCEICVLCU-RDJZCZTQSA-N 2 2 334.464 1.439 20 0 EDADLP C[C@H](OCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000521841006 449017682 /nfs/dbraw/zinc/01/76/82/449017682.db2.gz QFJUFNCEICVLCU-RDJZCZTQSA-N 2 2 334.464 1.439 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1[NH+]1CCCC1 ZINC000582124824 449018268 /nfs/dbraw/zinc/01/82/68/449018268.db2.gz VGTXISSIONBNJX-VNQPRFMTSA-N 2 2 334.489 1.484 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)CNCCC[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000582176205 449029361 /nfs/dbraw/zinc/02/93/61/449029361.db2.gz HWXUYGYNVBBXDD-GGPKGHCWSA-N 2 2 349.519 1.568 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)CNCCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000582176205 449029365 /nfs/dbraw/zinc/02/93/65/449029365.db2.gz HWXUYGYNVBBXDD-GGPKGHCWSA-N 2 2 349.519 1.568 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000548653152 449071598 /nfs/dbraw/zinc/07/15/98/449071598.db2.gz KTEDRAHNUJJTKO-KBPBESRZSA-N 2 2 333.461 1.862 20 0 EDADLP O=C(Nc1c[nH+]c2n1CCCC2)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000569558305 449042843 /nfs/dbraw/zinc/04/28/43/449042843.db2.gz MNJJLJRTZOVZCD-IBGZPJMESA-N 2 2 340.427 1.795 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000582240072 449046193 /nfs/dbraw/zinc/04/61/93/449046193.db2.gz OVXQJPAAJOJLAZ-SFHVURJKSA-N 2 2 342.443 1.944 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000530223016 449086579 /nfs/dbraw/zinc/08/65/79/449086579.db2.gz KYONVFHEGNJDMU-UHFFFAOYSA-N 2 2 328.416 1.576 20 0 EDADLP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000593591205 449094136 /nfs/dbraw/zinc/09/41/36/449094136.db2.gz GGSNBEYWVHLNNG-HNNXBMFYSA-N 2 2 341.496 1.498 20 0 EDADLP Cc1ncc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000604182134 449186832 /nfs/dbraw/zinc/18/68/32/449186832.db2.gz YTIIXXDGWIISIM-CYBMUJFWSA-N 2 2 337.493 1.419 20 0 EDADLP Cc1ncc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000604182134 449186841 /nfs/dbraw/zinc/18/68/41/449186841.db2.gz YTIIXXDGWIISIM-CYBMUJFWSA-N 2 2 337.493 1.419 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000590966788 449362059 /nfs/dbraw/zinc/36/20/59/449362059.db2.gz GTOSJPHKXMCVDA-MRXNPFEDSA-N 2 2 347.459 1.312 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CCC4(C[NH+](C)C4)C3)CC2)[nH+]c1 ZINC000614039334 449427115 /nfs/dbraw/zinc/42/71/15/449427115.db2.gz UUKQWCCEZAEHMV-UHFFFAOYSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC000602204506 449431888 /nfs/dbraw/zinc/43/18/88/449431888.db2.gz KXZHFWTTZLXRFP-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]c4ncccc34)C2)CC1 ZINC000602204506 449431894 /nfs/dbraw/zinc/43/18/94/449431894.db2.gz KXZHFWTTZLXRFP-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCN(c2cccc(C(=O)Nc3ccn4cc[nH+]c4c3)n2)CC1 ZINC000614276990 449538825 /nfs/dbraw/zinc/53/88/25/449538825.db2.gz YMJWYNYJSHVSJP-UHFFFAOYSA-N 2 2 336.399 1.733 20 0 EDADLP CC[C@H](C(=O)N1CCC[NH+](C)C[C@@H]1CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000614341746 449567436 /nfs/dbraw/zinc/56/74/36/449567436.db2.gz KNJWWQBJFQFKNB-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CCC[NH+](C)C[C@@H]1CC)[N@H+]1CCO[C@H](CC)C1 ZINC000614341746 449567441 /nfs/dbraw/zinc/56/74/41/449567441.db2.gz KNJWWQBJFQFKNB-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@H+](C)C[C@@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000614341746 449567445 /nfs/dbraw/zinc/56/74/45/449567445.db2.gz KNJWWQBJFQFKNB-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@@H+](C)C[C@@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000614341746 449567449 /nfs/dbraw/zinc/56/74/49/449567449.db2.gz KNJWWQBJFQFKNB-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000600925177 449598470 /nfs/dbraw/zinc/59/84/70/449598470.db2.gz LQILYUMSUQDXJB-MRXNPFEDSA-N 2 2 338.883 1.306 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614447810 449616396 /nfs/dbraw/zinc/61/63/96/449616396.db2.gz MGKSQETWIWEEPE-JKSUJKDBSA-N 2 2 332.448 1.159 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000602480199 449623721 /nfs/dbraw/zinc/62/37/21/449623721.db2.gz AILRBQASIIWBFC-KRWDZBQOSA-N 2 2 348.491 1.792 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000602480199 449623729 /nfs/dbraw/zinc/62/37/29/449623729.db2.gz AILRBQASIIWBFC-KRWDZBQOSA-N 2 2 348.491 1.792 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614464644 449626866 /nfs/dbraw/zinc/62/68/66/449626866.db2.gz AZKVFKYAHMXASG-ZIAGYGMSSA-N 2 2 335.452 1.545 20 0 EDADLP CCCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000594738821 449657975 /nfs/dbraw/zinc/65/79/75/449657975.db2.gz GTCOVXIOYGJFLC-HOTGVXAUSA-N 2 2 347.459 1.618 20 0 EDADLP CCCCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1OC ZINC000594738821 449657986 /nfs/dbraw/zinc/65/79/86/449657986.db2.gz GTCOVXIOYGJFLC-HOTGVXAUSA-N 2 2 347.459 1.618 20 0 EDADLP Cc1ncc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000607907013 449664789 /nfs/dbraw/zinc/66/47/89/449664789.db2.gz NNGZRWGHMACXFX-LBPRGKRZSA-N 2 2 337.855 1.337 20 0 EDADLP Cc1ncc(Cl)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000607907013 449664792 /nfs/dbraw/zinc/66/47/92/449664792.db2.gz NNGZRWGHMACXFX-LBPRGKRZSA-N 2 2 337.855 1.337 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)[C@@H]1C[NH+]2CCC1CC2 ZINC000602752393 449786502 /nfs/dbraw/zinc/78/65/02/449786502.db2.gz OQUWIJZLHZZATD-GOSISDBHSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)[C@@H]1C[NH+]2CCC1CC2 ZINC000602752393 449786506 /nfs/dbraw/zinc/78/65/06/449786506.db2.gz OQUWIJZLHZZATD-GOSISDBHSA-N 2 2 348.491 1.978 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1Cl ZINC000597059469 449789326 /nfs/dbraw/zinc/78/93/26/449789326.db2.gz UCTDJNSXLBMUHV-CYBMUJFWSA-N 2 2 325.840 1.462 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1Cl ZINC000597059469 449789331 /nfs/dbraw/zinc/78/93/31/449789331.db2.gz UCTDJNSXLBMUHV-CYBMUJFWSA-N 2 2 325.840 1.462 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000617764311 449824160 /nfs/dbraw/zinc/82/41/60/449824160.db2.gz REXWUGLZKZKHBF-QGZVFWFLSA-N 2 2 331.460 1.746 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000617764311 449824169 /nfs/dbraw/zinc/82/41/69/449824169.db2.gz REXWUGLZKZKHBF-QGZVFWFLSA-N 2 2 331.460 1.746 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000617767270 449831861 /nfs/dbraw/zinc/83/18/61/449831861.db2.gz MZWLICYXVPHESQ-LJQANCHMSA-N 3 2 346.519 1.651 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000617767270 449831865 /nfs/dbraw/zinc/83/18/65/449831865.db2.gz MZWLICYXVPHESQ-LJQANCHMSA-N 3 2 346.519 1.651 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000617767270 449831867 /nfs/dbraw/zinc/83/18/67/449831867.db2.gz MZWLICYXVPHESQ-LJQANCHMSA-N 3 2 346.519 1.651 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000617767270 449831872 /nfs/dbraw/zinc/83/18/72/449831872.db2.gz MZWLICYXVPHESQ-LJQANCHMSA-N 3 2 346.519 1.651 20 0 EDADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1C ZINC000594874659 449790590 /nfs/dbraw/zinc/79/05/90/449790590.db2.gz MVOTYQBYVGOYCL-RDJZCZTQSA-N 2 2 329.444 1.558 20 0 EDADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1C ZINC000594874659 449790595 /nfs/dbraw/zinc/79/05/95/449790595.db2.gz MVOTYQBYVGOYCL-RDJZCZTQSA-N 2 2 329.444 1.558 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000608495639 449858181 /nfs/dbraw/zinc/85/81/81/449858181.db2.gz VEGLZLIVTNACGH-LSDHHAIUSA-N 2 2 328.420 1.367 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000608495639 449858185 /nfs/dbraw/zinc/85/81/85/449858185.db2.gz VEGLZLIVTNACGH-LSDHHAIUSA-N 2 2 328.420 1.367 20 0 EDADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000612726515 449851513 /nfs/dbraw/zinc/85/15/13/449851513.db2.gz NXAZASFJFQJVJH-LBTNJELSSA-N 2 2 328.460 1.990 20 0 EDADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000612726515 449851519 /nfs/dbraw/zinc/85/15/19/449851519.db2.gz NXAZASFJFQJVJH-LBTNJELSSA-N 2 2 328.460 1.990 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000612726515 449851523 /nfs/dbraw/zinc/85/15/23/449851523.db2.gz NXAZASFJFQJVJH-LBTNJELSSA-N 2 2 328.460 1.990 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000612726515 449851528 /nfs/dbraw/zinc/85/15/28/449851528.db2.gz NXAZASFJFQJVJH-LBTNJELSSA-N 2 2 328.460 1.990 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000599400131 449946534 /nfs/dbraw/zinc/94/65/34/449946534.db2.gz UJDKVSLMKPOSHQ-DLBZAZTESA-N 2 2 344.459 1.559 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@H]2C(N)=O)c1 ZINC000599400131 449946538 /nfs/dbraw/zinc/94/65/38/449946538.db2.gz UJDKVSLMKPOSHQ-DLBZAZTESA-N 2 2 344.459 1.559 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000599400131 449946544 /nfs/dbraw/zinc/94/65/44/449946544.db2.gz UJDKVSLMKPOSHQ-DLBZAZTESA-N 2 2 344.459 1.559 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000599400131 449946549 /nfs/dbraw/zinc/94/65/49/449946549.db2.gz UJDKVSLMKPOSHQ-DLBZAZTESA-N 2 2 344.459 1.559 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1ccccc1F ZINC000612865153 449916263 /nfs/dbraw/zinc/91/62/63/449916263.db2.gz IJAHUGVMZLNLFP-PBHICJAKSA-N 2 2 331.395 1.700 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612964856 449960413 /nfs/dbraw/zinc/96/04/13/449960413.db2.gz UYBFMSDCRHFAOD-ZDUSSCGKSA-N 2 2 333.823 1.929 20 0 EDADLP CSC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000601576862 450087148 /nfs/dbraw/zinc/08/71/48/450087148.db2.gz XNOFHWUZVOHNBS-AWEZNQCLSA-N 2 2 340.537 1.692 20 0 EDADLP CSC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000601576862 450087154 /nfs/dbraw/zinc/08/71/54/450087154.db2.gz XNOFHWUZVOHNBS-AWEZNQCLSA-N 2 2 340.537 1.692 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nc1 ZINC000595472700 450165413 /nfs/dbraw/zinc/16/54/13/450165413.db2.gz PIOBZTWIXGRBDD-QGZVFWFLSA-N 2 2 333.432 1.555 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nc1 ZINC000595472700 450165419 /nfs/dbraw/zinc/16/54/19/450165419.db2.gz PIOBZTWIXGRBDD-QGZVFWFLSA-N 2 2 333.432 1.555 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000615546429 450137397 /nfs/dbraw/zinc/13/73/97/450137397.db2.gz INEFHUHIBMLXCY-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000625287068 450274129 /nfs/dbraw/zinc/27/41/29/450274129.db2.gz IUXQIPFOVYPRQY-INIZCTEOSA-N 2 2 336.480 1.571 20 0 EDADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000603782519 450348302 /nfs/dbraw/zinc/34/83/02/450348302.db2.gz TUDUPQGGIIDDQH-QGZVFWFLSA-N 2 2 344.459 1.497 20 0 EDADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000603782519 450348304 /nfs/dbraw/zinc/34/83/04/450348304.db2.gz TUDUPQGGIIDDQH-QGZVFWFLSA-N 2 2 344.459 1.497 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000623251935 450464826 /nfs/dbraw/zinc/46/48/26/450464826.db2.gz WPCIMPYTZMPYID-SFHVURJKSA-N 2 2 342.443 1.853 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000625659103 450466872 /nfs/dbraw/zinc/46/68/72/450466872.db2.gz NYXIPNMNMGOZTL-OAHLLOKOSA-N 2 2 337.414 1.918 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000625659103 450466874 /nfs/dbraw/zinc/46/68/74/450466874.db2.gz NYXIPNMNMGOZTL-OAHLLOKOSA-N 2 2 337.414 1.918 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623264213 450469056 /nfs/dbraw/zinc/46/90/56/450469056.db2.gz IPFGQAJHYPFPAY-HNNXBMFYSA-N 2 2 325.416 1.544 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000623413018 450518172 /nfs/dbraw/zinc/51/81/72/450518172.db2.gz HYUWLDZQFGLPBO-GOSISDBHSA-N 2 2 346.475 1.065 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000623413018 450518174 /nfs/dbraw/zinc/51/81/74/450518174.db2.gz HYUWLDZQFGLPBO-GOSISDBHSA-N 2 2 346.475 1.065 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000623413018 450518177 /nfs/dbraw/zinc/51/81/77/450518177.db2.gz HYUWLDZQFGLPBO-GOSISDBHSA-N 2 2 346.475 1.065 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000623413018 450518180 /nfs/dbraw/zinc/51/81/80/450518180.db2.gz HYUWLDZQFGLPBO-GOSISDBHSA-N 2 2 346.475 1.065 20 0 EDADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623455081 450524132 /nfs/dbraw/zinc/52/41/32/450524132.db2.gz APVVSZAWAIENKA-SFHVURJKSA-N 2 2 348.491 1.657 20 0 EDADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623455081 450524133 /nfs/dbraw/zinc/52/41/33/450524133.db2.gz APVVSZAWAIENKA-SFHVURJKSA-N 2 2 348.491 1.657 20 0 EDADLP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623455081 450524136 /nfs/dbraw/zinc/52/41/36/450524136.db2.gz APVVSZAWAIENKA-SFHVURJKSA-N 2 2 348.491 1.657 20 0 EDADLP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623455081 450524138 /nfs/dbraw/zinc/52/41/38/450524138.db2.gz APVVSZAWAIENKA-SFHVURJKSA-N 2 2 348.491 1.657 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CCCN2CCOCC2)CC1 ZINC000626088252 450573436 /nfs/dbraw/zinc/57/34/36/450573436.db2.gz QGOFKACDCNQMFZ-UHFFFAOYSA-N 2 2 325.497 1.286 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[NH2+]1 ZINC000621152300 450600029 /nfs/dbraw/zinc/60/00/29/450600029.db2.gz USJWTERJKATGHT-INIZCTEOSA-N 2 2 333.480 1.089 20 0 EDADLP COC[C@@]1(C)C[NH+]([C@H](C)CC[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174991 450609884 /nfs/dbraw/zinc/60/98/84/450609884.db2.gz FHIPVUOCFLYVRW-FGTMMUONSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@@]1(C)C[NH+]([C@H](C)CC[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174991 450609889 /nfs/dbraw/zinc/60/98/89/450609889.db2.gz FHIPVUOCFLYVRW-FGTMMUONSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@@]1(C)C[N@H+]([C@H](C)CC[NH+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174991 450609891 /nfs/dbraw/zinc/60/98/91/450609891.db2.gz FHIPVUOCFLYVRW-FGTMMUONSA-N 2 2 344.496 1.240 20 0 EDADLP COC[C@@]1(C)C[N@@H+]([C@H](C)CC[NH+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626174991 450609895 /nfs/dbraw/zinc/60/98/95/450609895.db2.gz FHIPVUOCFLYVRW-FGTMMUONSA-N 2 2 344.496 1.240 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000631477684 450615572 /nfs/dbraw/zinc/61/55/72/450615572.db2.gz NQPAZMKSXQAYFD-INIZCTEOSA-N 2 2 347.507 1.996 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000631477684 450615574 /nfs/dbraw/zinc/61/55/74/450615574.db2.gz NQPAZMKSXQAYFD-INIZCTEOSA-N 2 2 347.507 1.996 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631574593 450662054 /nfs/dbraw/zinc/66/20/54/450662054.db2.gz IYMGUUYYTVBSAN-MHORFTMASA-N 2 2 349.519 1.866 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631574593 450662059 /nfs/dbraw/zinc/66/20/59/450662059.db2.gz IYMGUUYYTVBSAN-MHORFTMASA-N 2 2 349.519 1.866 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNc1noc(Cc2ccc(F)cc2)n1 ZINC000621335484 450689693 /nfs/dbraw/zinc/68/96/93/450689693.db2.gz NYRBGNLBCQURGW-UHFFFAOYSA-N 2 2 335.427 2.095 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNc1noc(Cc2ccc(F)cc2)n1 ZINC000621335484 450689699 /nfs/dbraw/zinc/68/96/99/450689699.db2.gz NYRBGNLBCQURGW-UHFFFAOYSA-N 2 2 335.427 2.095 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1CO ZINC000621364137 450699955 /nfs/dbraw/zinc/69/99/55/450699955.db2.gz AKORLNMDEDKEBL-PKOBYXMFSA-N 2 2 345.487 1.281 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1CO ZINC000621364137 450699964 /nfs/dbraw/zinc/69/99/64/450699964.db2.gz AKORLNMDEDKEBL-PKOBYXMFSA-N 2 2 345.487 1.281 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)NCCc1cn2ccccc2[nH+]1 ZINC000631701753 450720961 /nfs/dbraw/zinc/72/09/61/450720961.db2.gz ZSVIUFUQTYUAPE-UHFFFAOYSA-N 2 2 336.461 1.282 20 0 EDADLP C[NH+](C)[C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1ccsc1 ZINC000631720717 450731600 /nfs/dbraw/zinc/73/16/00/450731600.db2.gz LWDZNJKECVYWGV-CYBMUJFWSA-N 2 2 331.507 1.364 20 0 EDADLP O[C@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000629555169 450733078 /nfs/dbraw/zinc/73/30/78/450733078.db2.gz YHVWTGJVFQVPMA-HXUWFJFHSA-N 3 2 346.519 1.245 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000631724671 450734817 /nfs/dbraw/zinc/73/48/17/450734817.db2.gz CKNORLFJHQFSEX-UHFFFAOYSA-N 2 2 348.472 1.445 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592149 450753051 /nfs/dbraw/zinc/75/30/51/450753051.db2.gz AWKISPYADLSQBI-ZMYBRWDISA-N 2 2 331.460 1.631 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592149 450753056 /nfs/dbraw/zinc/75/30/56/450753056.db2.gz AWKISPYADLSQBI-ZMYBRWDISA-N 2 2 331.460 1.631 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)CC2 ZINC000626496052 450767752 /nfs/dbraw/zinc/76/77/52/450767752.db2.gz BRMZSJXJHFRCIA-INIZCTEOSA-N 2 2 347.507 1.286 20 0 EDADLP CCOc1cc(C[N@H+](CC)CC[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000629651297 450771170 /nfs/dbraw/zinc/77/11/70/450771170.db2.gz NBQYEOSFMOWQDH-AWEZNQCLSA-N 2 2 337.464 1.721 20 0 EDADLP CCOc1cc(C[N@@H+](CC)CC[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000629651297 450771174 /nfs/dbraw/zinc/77/11/74/450771174.db2.gz NBQYEOSFMOWQDH-AWEZNQCLSA-N 2 2 337.464 1.721 20 0 EDADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)N1CCN(c2ccc(F)cc2)CC1 ZINC000631867709 450836007 /nfs/dbraw/zinc/83/60/07/450836007.db2.gz GODKMAJQHJZAKV-BEFAXECRSA-N 2 2 346.450 1.206 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)CC3 ZINC000624336238 450798430 /nfs/dbraw/zinc/79/84/30/450798430.db2.gz LUEBZGMIUJYXIN-KGLIPLIRSA-N 2 2 329.444 1.690 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)CC3 ZINC000624336238 450798434 /nfs/dbraw/zinc/79/84/34/450798434.db2.gz LUEBZGMIUJYXIN-KGLIPLIRSA-N 2 2 329.444 1.690 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631835413 450805501 /nfs/dbraw/zinc/80/55/01/450805501.db2.gz UDHWWHCEQLJUCY-OAHLLOKOSA-N 2 2 325.478 1.640 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631835413 450805506 /nfs/dbraw/zinc/80/55/06/450805506.db2.gz UDHWWHCEQLJUCY-OAHLLOKOSA-N 2 2 325.478 1.640 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633444327 450854605 /nfs/dbraw/zinc/85/46/05/450854605.db2.gz KTLKXXKTZMXFIR-ZIAGYGMSSA-N 2 2 328.416 1.604 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633444327 450854609 /nfs/dbraw/zinc/85/46/09/450854609.db2.gz KTLKXXKTZMXFIR-ZIAGYGMSSA-N 2 2 328.416 1.604 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635333252 450859202 /nfs/dbraw/zinc/85/92/02/450859202.db2.gz QZCYBQANNGILIN-UHFFFAOYSA-N 2 2 344.415 1.420 20 0 EDADLP Cc1ccc(COCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000621866223 450906374 /nfs/dbraw/zinc/90/63/74/450906374.db2.gz NNHQLBXATFWELD-SFHVURJKSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(COCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000621866223 450906382 /nfs/dbraw/zinc/90/63/82/450906382.db2.gz NNHQLBXATFWELD-SFHVURJKSA-N 2 2 345.487 1.796 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000631935461 450893001 /nfs/dbraw/zinc/89/30/01/450893001.db2.gz IHPZSWVTGGQOFF-OAHLLOKOSA-N 2 2 345.896 1.568 20 0 EDADLP COCCOCC[N@H+](C)CCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000635470231 450969542 /nfs/dbraw/zinc/96/95/42/450969542.db2.gz ZPWLGEUIKJDLJR-UHFFFAOYSA-N 2 2 334.420 1.566 20 0 EDADLP COCCOCC[N@@H+](C)CCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000635470231 450969550 /nfs/dbraw/zinc/96/95/50/450969550.db2.gz ZPWLGEUIKJDLJR-UHFFFAOYSA-N 2 2 334.420 1.566 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626924921 451008947 /nfs/dbraw/zinc/00/89/47/451008947.db2.gz CZNOQHKIWKDKKC-RCCFBDPRSA-N 2 2 346.475 1.500 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C[NH2+]1 ZINC000626931474 451015033 /nfs/dbraw/zinc/01/50/33/451015033.db2.gz GKFSHEKVXGWTMQ-IJEWVQPXSA-N 2 2 347.463 1.246 20 0 EDADLP CC(C)(CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000635527817 451024492 /nfs/dbraw/zinc/02/44/92/451024492.db2.gz WBRUOVPXTOWVKA-KRWDZBQOSA-N 2 2 348.491 1.357 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000635564252 451063123 /nfs/dbraw/zinc/06/31/23/451063123.db2.gz REUMSPSFHYLNOB-IEBWSBKVSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000635564252 451063130 /nfs/dbraw/zinc/06/31/30/451063130.db2.gz REUMSPSFHYLNOB-IEBWSBKVSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000635564252 451063138 /nfs/dbraw/zinc/06/31/38/451063138.db2.gz REUMSPSFHYLNOB-IEBWSBKVSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000635564252 451063145 /nfs/dbraw/zinc/06/31/45/451063145.db2.gz REUMSPSFHYLNOB-IEBWSBKVSA-N 2 2 343.471 1.965 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000632137762 451064403 /nfs/dbraw/zinc/06/44/03/451064403.db2.gz HOVRKGZSDDWSEP-OAHLLOKOSA-N 2 2 338.477 1.066 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cn21 ZINC000627010076 451074935 /nfs/dbraw/zinc/07/49/35/451074935.db2.gz MESDOFHARKCRLE-HDICACEKSA-N 2 2 327.432 1.784 20 0 EDADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635588729 451087130 /nfs/dbraw/zinc/08/71/30/451087130.db2.gz IEFSQDVBBGQMIC-MJGOQNOKSA-N 2 2 340.427 1.565 20 0 EDADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635588729 451087132 /nfs/dbraw/zinc/08/71/32/451087132.db2.gz IEFSQDVBBGQMIC-MJGOQNOKSA-N 2 2 340.427 1.565 20 0 EDADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635588729 451087133 /nfs/dbraw/zinc/08/71/33/451087133.db2.gz IEFSQDVBBGQMIC-MJGOQNOKSA-N 2 2 340.427 1.565 20 0 EDADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635588729 451087135 /nfs/dbraw/zinc/08/71/35/451087135.db2.gz IEFSQDVBBGQMIC-MJGOQNOKSA-N 2 2 340.427 1.565 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(Nc4ccccc4)CC3)C2)CC1 ZINC000635552372 451050090 /nfs/dbraw/zinc/05/00/90/451050090.db2.gz USVNQQHJMGHWPE-KRWDZBQOSA-N 2 2 342.487 1.916 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(Nc4ccccc4)CC3)C2)CC1 ZINC000635552372 451050095 /nfs/dbraw/zinc/05/00/95/451050095.db2.gz USVNQQHJMGHWPE-KRWDZBQOSA-N 2 2 342.487 1.916 20 0 EDADLP Cc1cc(NCCNC(=O)NCCC2=CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627088644 451119643 /nfs/dbraw/zinc/11/96/43/451119643.db2.gz CRNBNNXXDSDMSA-UHFFFAOYSA-N 2 2 346.479 1.929 20 0 EDADLP CN(C)[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1c[nH+]cn1C ZINC000622413844 451145508 /nfs/dbraw/zinc/14/55/08/451145508.db2.gz DGLUTZVZSLIBSO-QGZVFWFLSA-N 2 2 347.438 1.410 20 0 EDADLP CN(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1c[nH+]cn1C ZINC000622413844 451145512 /nfs/dbraw/zinc/14/55/12/451145512.db2.gz DGLUTZVZSLIBSO-QGZVFWFLSA-N 2 2 347.438 1.410 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC1CC[NH+](CC3CC3)CC1)CC2 ZINC000628158541 451162189 /nfs/dbraw/zinc/16/21/89/451162189.db2.gz QQOCIQVHUSVRJH-KRWDZBQOSA-N 2 2 330.476 1.992 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627198108 451181138 /nfs/dbraw/zinc/18/11/38/451181138.db2.gz IOFRHAKEPSXOJE-INMHGKMJSA-N 2 2 331.464 1.610 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635705769 451186117 /nfs/dbraw/zinc/18/61/17/451186117.db2.gz YDHXPMLWLYJFNI-TXCZRRACSA-N 2 2 332.448 1.397 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635705769 451186122 /nfs/dbraw/zinc/18/61/22/451186122.db2.gz YDHXPMLWLYJFNI-TXCZRRACSA-N 2 2 332.448 1.397 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000627249412 451208330 /nfs/dbraw/zinc/20/83/30/451208330.db2.gz IVIOXGUFAFAUBS-PVAVHDDUSA-N 2 2 325.416 1.773 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000625263599 451245674 /nfs/dbraw/zinc/24/56/74/451245674.db2.gz HOAALVBEDBDPEZ-RYQLBKOJSA-N 2 2 331.460 1.169 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000625263599 451245678 /nfs/dbraw/zinc/24/56/78/451245678.db2.gz HOAALVBEDBDPEZ-RYQLBKOJSA-N 2 2 331.460 1.169 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000625263599 451245683 /nfs/dbraw/zinc/24/56/83/451245683.db2.gz HOAALVBEDBDPEZ-RYQLBKOJSA-N 2 2 331.460 1.169 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000625263599 451245686 /nfs/dbraw/zinc/24/56/86/451245686.db2.gz HOAALVBEDBDPEZ-RYQLBKOJSA-N 2 2 331.460 1.169 20 0 EDADLP Cc1ccc(C(=O)c2cn(CC[N@@H+](C)CCC[NH+](C)C)nn2)cc1 ZINC000630611611 451275471 /nfs/dbraw/zinc/27/54/71/451275471.db2.gz HSCWUUQQHJYRQY-UHFFFAOYSA-N 2 2 329.448 1.701 20 0 EDADLP Cc1ccc(C(=O)c2cn(CC[N@H+](C)CCC[NH+](C)C)nn2)cc1 ZINC000630611611 451275475 /nfs/dbraw/zinc/27/54/75/451275475.db2.gz HSCWUUQQHJYRQY-UHFFFAOYSA-N 2 2 329.448 1.701 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC000635829666 451278319 /nfs/dbraw/zinc/27/83/19/451278319.db2.gz JCQQWDMCHAWKHJ-KRWDZBQOSA-N 2 2 347.503 1.465 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[NH+](C)CCc1ccccc1 ZINC000635829666 451278323 /nfs/dbraw/zinc/27/83/23/451278323.db2.gz JCQQWDMCHAWKHJ-KRWDZBQOSA-N 2 2 347.503 1.465 20 0 EDADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC000635829666 451278327 /nfs/dbraw/zinc/27/83/27/451278327.db2.gz JCQQWDMCHAWKHJ-KRWDZBQOSA-N 2 2 347.503 1.465 20 0 EDADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635829666 451278330 /nfs/dbraw/zinc/27/83/30/451278330.db2.gz JCQQWDMCHAWKHJ-KRWDZBQOSA-N 2 2 347.503 1.465 20 0 EDADLP [NH3+][C@H]1CC=C(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000638113690 451281157 /nfs/dbraw/zinc/28/11/57/451281157.db2.gz UOIIVZYLTNKUKU-ZWKOTPCHSA-N 2 2 329.444 1.094 20 0 EDADLP [NH3+]C1(CC(=O)NCCc2[nH]cc[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000638114280 451282784 /nfs/dbraw/zinc/28/27/84/451282784.db2.gz VDHHKSUBSYQKNE-UHFFFAOYSA-N 3 2 341.459 1.452 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000638125692 451295035 /nfs/dbraw/zinc/29/50/35/451295035.db2.gz GIAPTFXOAHFYCL-RTBURBONSA-N 2 2 346.519 1.779 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000638125692 451295039 /nfs/dbraw/zinc/29/50/39/451295039.db2.gz GIAPTFXOAHFYCL-RTBURBONSA-N 2 2 346.519 1.779 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638145754 451319122 /nfs/dbraw/zinc/31/91/22/451319122.db2.gz LLFDEZFWUXLAJV-LJQANCHMSA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638145754 451319127 /nfs/dbraw/zinc/31/91/27/451319127.db2.gz LLFDEZFWUXLAJV-LJQANCHMSA-N 2 2 338.455 1.973 20 0 EDADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000638171265 451335311 /nfs/dbraw/zinc/33/53/11/451335311.db2.gz VVVSHWXMFITDFO-QUCCMNQESA-N 2 2 348.487 1.990 20 0 EDADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000638171265 451335315 /nfs/dbraw/zinc/33/53/15/451335315.db2.gz VVVSHWXMFITDFO-QUCCMNQESA-N 2 2 348.487 1.990 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000638186732 451344838 /nfs/dbraw/zinc/34/48/38/451344838.db2.gz ZGTCYQSAJZJULO-QZTJIDSGSA-N 3 2 331.460 1.049 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636610004 451349024 /nfs/dbraw/zinc/34/90/24/451349024.db2.gz IRERPZCYNJOLOY-KBPBESRZSA-N 2 2 349.479 1.241 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)cc1 ZINC000635956254 451395437 /nfs/dbraw/zinc/39/54/37/451395437.db2.gz WJNKRNLHDKSLPN-JQHSSLGASA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)cc1 ZINC000635956254 451395443 /nfs/dbraw/zinc/39/54/43/451395443.db2.gz WJNKRNLHDKSLPN-JQHSSLGASA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000635956254 451395449 /nfs/dbraw/zinc/39/54/49/451395449.db2.gz WJNKRNLHDKSLPN-JQHSSLGASA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000635956254 451395455 /nfs/dbraw/zinc/39/54/55/451395455.db2.gz WJNKRNLHDKSLPN-JQHSSLGASA-N 2 2 329.444 1.432 20 0 EDADLP C[C@@](O)(C[C@@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000634642819 451435527 /nfs/dbraw/zinc/43/55/27/451435527.db2.gz QYISBLIIUSOAOU-IAGOWNOFSA-N 2 2 342.549 1.850 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)C1 ZINC000636010816 451435986 /nfs/dbraw/zinc/43/59/86/451435986.db2.gz WMFSQMFHVBHYMC-INIZCTEOSA-N 2 2 335.448 1.282 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N(CC[NH+]2CCOCC2)Cc2ccco2)C1 ZINC000636010816 451435991 /nfs/dbraw/zinc/43/59/91/451435991.db2.gz WMFSQMFHVBHYMC-INIZCTEOSA-N 2 2 335.448 1.282 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)[nH+]1 ZINC000638352649 451453890 /nfs/dbraw/zinc/45/38/90/451453890.db2.gz QHAYCEVFYKVACV-CVEARBPZSA-N 2 2 330.407 1.997 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638384964 451477874 /nfs/dbraw/zinc/47/78/74/451477874.db2.gz GWAGDLJEUYNPOF-IBGZPJMESA-N 2 2 340.471 1.482 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638404099 451493003 /nfs/dbraw/zinc/49/30/03/451493003.db2.gz ZHXNJYHYBNTZEO-UHFFFAOYSA-N 3 2 341.459 1.752 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638338129 451441709 /nfs/dbraw/zinc/44/17/09/451441709.db2.gz RUXZABPBOZOHGL-HZPDHXFCSA-N 2 2 337.851 1.409 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638338129 451441714 /nfs/dbraw/zinc/44/17/14/451441714.db2.gz RUXZABPBOZOHGL-HZPDHXFCSA-N 2 2 337.851 1.409 20 0 EDADLP OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000634723688 451503808 /nfs/dbraw/zinc/50/38/08/451503808.db2.gz BCBAXOTWOHDFQU-LSDHHAIUSA-N 2 2 332.366 1.785 20 0 EDADLP CO[C@H](C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000638463403 451528845 /nfs/dbraw/zinc/52/88/45/451528845.db2.gz UNFJWDVECFDSOG-PKOBYXMFSA-N 3 2 348.491 1.235 20 0 EDADLP COc1ccc([C@H](CNc2nc(C)[nH+]c(N)n2)[NH+]2CCCC2)cc1 ZINC000631037343 451546022 /nfs/dbraw/zinc/54/60/22/451546022.db2.gz QMSYPOZUAXTISF-HNNXBMFYSA-N 2 2 328.420 1.442 20 0 EDADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000631037042 451546088 /nfs/dbraw/zinc/54/60/88/451546088.db2.gz FHYZWUOKHPFGES-QGZVFWFLSA-N 2 2 329.448 1.666 20 0 EDADLP CCc1cc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)nc(C)[nH+]1 ZINC000634808341 451564285 /nfs/dbraw/zinc/56/42/85/451564285.db2.gz PZGQZHYRLCTJIV-UHFFFAOYSA-N 2 2 327.436 1.426 20 0 EDADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631069784 451567350 /nfs/dbraw/zinc/56/73/50/451567350.db2.gz XMPPMZWAJFYEOG-LJQANCHMSA-N 3 2 347.503 1.829 20 0 EDADLP CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631070965 451567926 /nfs/dbraw/zinc/56/79/26/451567926.db2.gz IODYNZQGGMVFMQ-VQIMIIECSA-N 2 2 336.476 1.894 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[C@@H]1C(F)(F)F ZINC000638548522 451572045 /nfs/dbraw/zinc/57/20/45/451572045.db2.gz CCBFJKQXMOIOOI-YPMHNXCESA-N 2 2 340.349 1.863 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629169352 451576951 /nfs/dbraw/zinc/57/69/51/451576951.db2.gz RTUJESHKHMMKKM-CVEARBPZSA-N 2 2 328.416 1.115 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629169352 451576955 /nfs/dbraw/zinc/57/69/55/451576955.db2.gz RTUJESHKHMMKKM-CVEARBPZSA-N 2 2 328.416 1.115 20 0 EDADLP COc1cc(C[C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccn1 ZINC000638595446 451595740 /nfs/dbraw/zinc/59/57/40/451595740.db2.gz ASBAVMWLVBWCDA-AEFFLSMTSA-N 2 2 348.491 1.017 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638611901 451605931 /nfs/dbraw/zinc/60/59/31/451605931.db2.gz KEGLEEYURORDKH-ZDUSSCGKSA-N 2 2 326.448 1.617 20 0 EDADLP CN(Cc1ccns1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636987414 451663880 /nfs/dbraw/zinc/66/38/80/451663880.db2.gz NEHOZAGTUFPJGH-UHFFFAOYSA-N 2 2 325.482 1.311 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cn(C[C@@H]4CCOC4)nn3)cn21 ZINC000631167304 451619937 /nfs/dbraw/zinc/61/99/37/451619937.db2.gz UTNNKVAZIYIRDS-HNNXBMFYSA-N 2 2 340.431 1.603 20 0 EDADLP COc1cc(C[NH+]2CCC([NH2+]CCO)CC2)c(SC)cc1OC ZINC000635001766 451646807 /nfs/dbraw/zinc/64/68/07/451646807.db2.gz ZXCUUTHNCJBJQX-UHFFFAOYSA-N 2 2 340.489 1.972 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2cccc(C(F)(F)F)c2C1 ZINC000638688155 451654919 /nfs/dbraw/zinc/65/49/19/451654919.db2.gz VSGFZBWFRCSPNO-AWEZNQCLSA-N 2 2 329.366 1.869 20 0 EDADLP C[C@@H]1C[C@@H]1c1noc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000631340036 451702003 /nfs/dbraw/zinc/70/20/03/451702003.db2.gz KYDOJIPJZRXODD-DOMZBBRYSA-N 2 2 347.463 1.481 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)c1C ZINC000640954037 451703033 /nfs/dbraw/zinc/70/30/33/451703033.db2.gz CVAPWWZPTBFEOW-HNNXBMFYSA-N 2 2 331.420 1.304 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)c1C ZINC000640954037 451703035 /nfs/dbraw/zinc/70/30/35/451703035.db2.gz CVAPWWZPTBFEOW-HNNXBMFYSA-N 2 2 331.420 1.304 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1cccc(F)c1 ZINC000636472437 451726122 /nfs/dbraw/zinc/72/61/22/451726122.db2.gz CDULLYXCDWCNEP-GOEBONIOSA-N 2 2 331.395 1.549 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639088542 451766030 /nfs/dbraw/zinc/76/60/30/451766030.db2.gz WRSPNJRPIOXXCQ-DOTOQJQBSA-N 2 2 337.489 1.493 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639088542 451766033 /nfs/dbraw/zinc/76/60/33/451766033.db2.gz WRSPNJRPIOXXCQ-DOTOQJQBSA-N 2 2 337.489 1.493 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639131920 451773944 /nfs/dbraw/zinc/77/39/44/451773944.db2.gz BNPOJCRGWZWRAI-UHFFFAOYSA-N 2 2 345.896 1.905 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639131920 451773946 /nfs/dbraw/zinc/77/39/46/451773946.db2.gz BNPOJCRGWZWRAI-UHFFFAOYSA-N 2 2 345.896 1.905 20 0 EDADLP CO[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000639140119 451775383 /nfs/dbraw/zinc/77/53/83/451775383.db2.gz XIJIKLLHSOIETD-FUHWJXTLSA-N 2 2 326.481 1.472 20 0 EDADLP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000639140119 451775386 /nfs/dbraw/zinc/77/53/86/451775386.db2.gz XIJIKLLHSOIETD-FUHWJXTLSA-N 2 2 326.481 1.472 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc(CCCC[NH3+])nn3)c2cc1C ZINC000641214413 451783779 /nfs/dbraw/zinc/78/37/79/451783779.db2.gz UXWOEURMZNILGR-MRXNPFEDSA-N 2 2 342.447 1.587 20 0 EDADLP Nc1ncc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(N)n1 ZINC000639194987 451789786 /nfs/dbraw/zinc/78/97/86/451789786.db2.gz PWRLFMDWUDAVFP-MRXNPFEDSA-N 2 2 340.475 1.694 20 0 EDADLP Nc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(N)n1 ZINC000639194987 451789788 /nfs/dbraw/zinc/78/97/88/451789788.db2.gz PWRLFMDWUDAVFP-MRXNPFEDSA-N 2 2 340.475 1.694 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC[NH2+]C3CC3)CC2)c1 ZINC000637329969 451790869 /nfs/dbraw/zinc/79/08/69/451790869.db2.gz QNQFEPRHAYVLFL-OAHLLOKOSA-N 2 2 346.475 1.835 20 0 EDADLP CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639224243 451794969 /nfs/dbraw/zinc/79/49/69/451794969.db2.gz XTVMAXWEJIAYIN-AZUAARDMSA-N 2 2 348.487 1.990 20 0 EDADLP CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639224243 451794973 /nfs/dbraw/zinc/79/49/73/451794973.db2.gz XTVMAXWEJIAYIN-AZUAARDMSA-N 2 2 348.487 1.990 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641290769 451815745 /nfs/dbraw/zinc/81/57/45/451815745.db2.gz SGJAQZRCFHKMPT-XHSDSOJGSA-N 2 2 340.493 1.550 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641290769 451815751 /nfs/dbraw/zinc/81/57/51/451815751.db2.gz SGJAQZRCFHKMPT-XHSDSOJGSA-N 2 2 340.493 1.550 20 0 EDADLP CO[C@]1(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CCOC1 ZINC000639328375 451827567 /nfs/dbraw/zinc/82/75/67/451827567.db2.gz WJIJFCZLGASREK-MOPGFXCFSA-N 2 2 333.476 1.198 20 0 EDADLP CO[C@]1(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCOC1 ZINC000639328375 451827575 /nfs/dbraw/zinc/82/75/75/451827575.db2.gz WJIJFCZLGASREK-MOPGFXCFSA-N 2 2 333.476 1.198 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000644521935 451838310 /nfs/dbraw/zinc/83/83/10/451838310.db2.gz HPVYNCYXTNOMGK-NZSAHSFTSA-N 2 2 347.459 1.601 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000644521935 451838315 /nfs/dbraw/zinc/83/83/15/451838315.db2.gz HPVYNCYXTNOMGK-NZSAHSFTSA-N 2 2 347.459 1.601 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000637444521 451860848 /nfs/dbraw/zinc/86/08/48/451860848.db2.gz ALPASDCQESEGRZ-SJORKVTESA-N 2 2 332.448 1.015 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000637444521 451860853 /nfs/dbraw/zinc/86/08/53/451860853.db2.gz ALPASDCQESEGRZ-SJORKVTESA-N 2 2 332.448 1.015 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)[C@H](c2ccccc2)C1 ZINC000637444521 451860855 /nfs/dbraw/zinc/86/08/55/451860855.db2.gz ALPASDCQESEGRZ-SJORKVTESA-N 2 2 332.448 1.015 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)[C@H](c2ccccc2)C1 ZINC000637444521 451860860 /nfs/dbraw/zinc/86/08/60/451860860.db2.gz ALPASDCQESEGRZ-SJORKVTESA-N 2 2 332.448 1.015 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)[C@H](C[NH3+])C1 ZINC000646836269 451874808 /nfs/dbraw/zinc/87/48/08/451874808.db2.gz BWSPXXYTMGNWLD-MRXNPFEDSA-N 2 2 342.443 1.766 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)[C@H](C[NH3+])C1 ZINC000646836269 451874814 /nfs/dbraw/zinc/87/48/14/451874814.db2.gz BWSPXXYTMGNWLD-MRXNPFEDSA-N 2 2 342.443 1.766 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)C1CC1 ZINC000644585066 451879374 /nfs/dbraw/zinc/87/93/74/451879374.db2.gz BFAWJDBYMZHKOX-OALUTQOASA-N 2 2 345.487 1.265 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)C1CC1 ZINC000644585066 451879380 /nfs/dbraw/zinc/87/93/80/451879380.db2.gz BFAWJDBYMZHKOX-OALUTQOASA-N 2 2 345.487 1.265 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649214721 451909807 /nfs/dbraw/zinc/90/98/07/451909807.db2.gz WMSDHPPTDCJWDX-MUIFIZLQSA-N 2 2 332.448 1.156 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000644666801 451927692 /nfs/dbraw/zinc/92/76/92/451927692.db2.gz VIKZLHZYFUXODZ-KSZLIROESA-N 2 2 331.460 1.222 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000644666801 451927699 /nfs/dbraw/zinc/92/76/99/451927699.db2.gz VIKZLHZYFUXODZ-KSZLIROESA-N 2 2 331.460 1.222 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)CC2)[nH+]c1 ZINC000646911989 451929085 /nfs/dbraw/zinc/92/90/85/451929085.db2.gz KVPUSADQBCCOCK-SJORKVTESA-N 2 2 328.460 1.769 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)CC2)[nH+]c1 ZINC000646911989 451929092 /nfs/dbraw/zinc/92/90/92/451929092.db2.gz KVPUSADQBCCOCK-SJORKVTESA-N 2 2 328.460 1.769 20 0 EDADLP Cc1ncc(CNC(=O)CC[NH+]2CCN(c3[nH+]ccn3C)CC2)s1 ZINC000639541557 451932930 /nfs/dbraw/zinc/93/29/30/451932930.db2.gz NXILGQOVXBOFAK-UHFFFAOYSA-N 2 2 348.476 1.014 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]3C[NH3+])c[nH+]2)CCO1 ZINC000649289341 451965289 /nfs/dbraw/zinc/96/52/89/451965289.db2.gz MOPKSHRQQBRCIB-VNQPRFMTSA-N 2 2 332.448 1.298 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000649285807 451959161 /nfs/dbraw/zinc/95/91/61/451959161.db2.gz WBKSDTCLCSIBGA-HUUCEWRRSA-N 2 2 344.459 1.401 20 0 EDADLP COC[C@@H]1C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000639603601 451970426 /nfs/dbraw/zinc/97/04/26/451970426.db2.gz FADITTYXPPZIAA-NEWSRXKRSA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@@H]1C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000639603601 451970430 /nfs/dbraw/zinc/97/04/30/451970430.db2.gz FADITTYXPPZIAA-NEWSRXKRSA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000639603601 451970435 /nfs/dbraw/zinc/97/04/35/451970435.db2.gz FADITTYXPPZIAA-NEWSRXKRSA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000639603601 451970439 /nfs/dbraw/zinc/97/04/39/451970439.db2.gz FADITTYXPPZIAA-NEWSRXKRSA-N 2 2 334.460 1.359 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC000649295440 451971308 /nfs/dbraw/zinc/97/13/08/451971308.db2.gz KGLWNEMHZTZAIO-BFYDXBDKSA-N 2 2 347.459 1.470 20 0 EDADLP C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000649296232 451973773 /nfs/dbraw/zinc/97/37/73/451973773.db2.gz OXUAGAANHKEWNI-YZGWKJHDSA-N 2 2 347.503 1.099 20 0 EDADLP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000649296232 451973774 /nfs/dbraw/zinc/97/37/74/451973774.db2.gz OXUAGAANHKEWNI-YZGWKJHDSA-N 2 2 347.503 1.099 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)COC3(C)C[NH2+]C3)CC2)c1 ZINC000649322145 452002005 /nfs/dbraw/zinc/00/20/05/452002005.db2.gz BDUDBHMERXRHEU-HNNXBMFYSA-N 2 2 347.459 1.279 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000641468709 452004251 /nfs/dbraw/zinc/00/42/51/452004251.db2.gz CVLXIYKVBQOAJM-CABCVRRESA-N 2 2 334.464 1.648 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000641468709 452004253 /nfs/dbraw/zinc/00/42/53/452004253.db2.gz CVLXIYKVBQOAJM-CABCVRRESA-N 2 2 334.464 1.648 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649331845 452013146 /nfs/dbraw/zinc/01/31/46/452013146.db2.gz AGVYZKAAYRJKOO-MRXNPFEDSA-N 2 2 328.416 1.126 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000643077524 452034879 /nfs/dbraw/zinc/03/48/79/452034879.db2.gz OMRNFMHAGHNKOV-SPYBWZPUSA-N 2 2 341.459 1.465 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[NH2+]C[C@](C)(F)C3)CC2)[nH+]c1 ZINC000647065030 452038361 /nfs/dbraw/zinc/03/83/61/452038361.db2.gz LMXVSJPFBCUFJW-SFHVURJKSA-N 2 2 334.439 1.766 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649414914 452078115 /nfs/dbraw/zinc/07/81/15/452078115.db2.gz AAHXEZIZBOSYRF-CRAIPNDOSA-N 3 2 334.508 1.193 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649414914 452078123 /nfs/dbraw/zinc/07/81/23/452078123.db2.gz AAHXEZIZBOSYRF-CRAIPNDOSA-N 3 2 334.508 1.193 20 0 EDADLP CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000653741031 452097265 /nfs/dbraw/zinc/09/72/65/452097265.db2.gz AMYZNXHKVRLWIR-HUUCEWRRSA-N 2 2 337.489 1.141 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000639761284 452099719 /nfs/dbraw/zinc/09/97/19/452099719.db2.gz LWJOLGDEXAJZGM-GOSISDBHSA-N 2 2 330.432 1.266 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000639761284 452099728 /nfs/dbraw/zinc/09/97/28/452099728.db2.gz LWJOLGDEXAJZGM-GOSISDBHSA-N 2 2 330.432 1.266 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000639762889 452101860 /nfs/dbraw/zinc/10/18/60/452101860.db2.gz ONRNIQVLRDUONP-LJQANCHMSA-N 2 2 342.443 1.738 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000639762889 452101870 /nfs/dbraw/zinc/10/18/70/452101870.db2.gz ONRNIQVLRDUONP-LJQANCHMSA-N 2 2 342.443 1.738 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639762480 452102033 /nfs/dbraw/zinc/10/20/33/452102033.db2.gz LKLZRZGSWAKPSY-MDZRGWNJSA-N 2 2 333.476 1.641 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639762480 452102039 /nfs/dbraw/zinc/10/20/39/452102039.db2.gz LKLZRZGSWAKPSY-MDZRGWNJSA-N 2 2 333.476 1.641 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762603 452102763 /nfs/dbraw/zinc/10/27/63/452102763.db2.gz NSDFRUXXQRQOMV-SQGPQFPESA-N 2 2 347.503 1.949 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762603 452102766 /nfs/dbraw/zinc/10/27/66/452102766.db2.gz NSDFRUXXQRQOMV-SQGPQFPESA-N 2 2 347.503 1.949 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639766033 452106786 /nfs/dbraw/zinc/10/67/86/452106786.db2.gz NAXFYRKURFBILW-VQIMIIECSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639766033 452106789 /nfs/dbraw/zinc/10/67/89/452106789.db2.gz NAXFYRKURFBILW-VQIMIIECSA-N 2 2 333.476 1.388 20 0 EDADLP COc1ncncc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000647177312 452107398 /nfs/dbraw/zinc/10/73/98/452107398.db2.gz UUXOJIUQZPLJER-UHFFFAOYSA-N 3 2 342.447 1.182 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)[C@@H](Cc2ccccc2)C1 ZINC000649498734 452111561 /nfs/dbraw/zinc/11/15/61/452111561.db2.gz VJVPRASJVWPBLZ-KRWDZBQOSA-N 2 2 327.432 1.451 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)[C@@H](Cc2ccccc2)C1 ZINC000649498734 452111565 /nfs/dbraw/zinc/11/15/65/452111565.db2.gz VJVPRASJVWPBLZ-KRWDZBQOSA-N 2 2 327.432 1.451 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651875719 452136010 /nfs/dbraw/zinc/13/60/10/452136010.db2.gz ZFTFNSNGGCUFNW-UHFFFAOYSA-N 2 2 342.447 1.281 20 0 EDADLP Nc1nc(N)c(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c[nH+]1 ZINC000637885512 452138025 /nfs/dbraw/zinc/13/80/25/452138025.db2.gz WAKBSCNHQAQTEX-UHFFFAOYSA-N 2 2 346.866 1.663 20 0 EDADLP Nc1nc(N)c(CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c[nH+]1 ZINC000637885512 452138029 /nfs/dbraw/zinc/13/80/29/452138029.db2.gz WAKBSCNHQAQTEX-UHFFFAOYSA-N 2 2 346.866 1.663 20 0 EDADLP Cc1[nH]c2nc[nH+]c(NC3CC[NH+](CCC(=O)N(C)C)CC3)c2c1C ZINC000645166029 452188739 /nfs/dbraw/zinc/18/87/39/452188739.db2.gz UNZQCUJWDRVBRJ-UHFFFAOYSA-N 2 2 344.463 1.929 20 0 EDADLP Nc1nc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c2c([nH+]1)CCCC2 ZINC000645189642 452204191 /nfs/dbraw/zinc/20/41/91/452204191.db2.gz RFYPYUBAPNCYGT-HOTGVXAUSA-N 2 2 331.464 1.415 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccncc3N)cc2)CC1 ZINC000641706888 452211542 /nfs/dbraw/zinc/21/15/42/452211542.db2.gz GXCFNZYDGVKHTF-UHFFFAOYSA-N 2 2 339.443 1.341 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cn2)CC1 ZINC000647480706 452227142 /nfs/dbraw/zinc/22/71/42/452227142.db2.gz XSQNUTMLSBJUCV-ZWKOTPCHSA-N 3 2 344.507 1.192 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cn2)CC1 ZINC000647480706 452227148 /nfs/dbraw/zinc/22/71/48/452227148.db2.gz XSQNUTMLSBJUCV-ZWKOTPCHSA-N 3 2 344.507 1.192 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645234754 452228017 /nfs/dbraw/zinc/22/80/17/452228017.db2.gz ZDUWAWIBDOQXAD-OLZOCXBDSA-N 2 2 332.439 1.745 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645234754 452228023 /nfs/dbraw/zinc/22/80/23/452228023.db2.gz ZDUWAWIBDOQXAD-OLZOCXBDSA-N 2 2 332.439 1.745 20 0 EDADLP Cn1cc[nH+]c1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000649748828 452228697 /nfs/dbraw/zinc/22/86/97/452228697.db2.gz GKLCWXVPGWLVTR-ZWKOTPCHSA-N 2 2 326.444 1.895 20 0 EDADLP Cn1cc[nH+]c1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000649748828 452228704 /nfs/dbraw/zinc/22/87/04/452228704.db2.gz GKLCWXVPGWLVTR-ZWKOTPCHSA-N 2 2 326.444 1.895 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c2cc1C ZINC000647515083 452248889 /nfs/dbraw/zinc/24/88/89/452248889.db2.gz OTFOAASCCUYSMS-JMSVASOKSA-N 2 2 345.365 1.915 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1(C)C ZINC000641783232 452251171 /nfs/dbraw/zinc/25/11/71/452251171.db2.gz KAXDEVHCQPWUNZ-UHFFFAOYSA-N 2 2 333.358 1.681 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1(C)C ZINC000641783232 452251182 /nfs/dbraw/zinc/25/11/82/452251182.db2.gz KAXDEVHCQPWUNZ-UHFFFAOYSA-N 2 2 333.358 1.681 20 0 EDADLP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000641786294 452259069 /nfs/dbraw/zinc/25/90/69/452259069.db2.gz OZBVWRZABCQLGY-RCCFBDPRSA-N 2 2 325.497 1.330 20 0 EDADLP CC[C@H]1C[N@H+](CCn2cccn2)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665699561 452259813 /nfs/dbraw/zinc/25/98/13/452259813.db2.gz QWQCSXGTAJJJCO-AWEZNQCLSA-N 2 2 343.435 1.078 20 0 EDADLP CC[C@H]1C[N@@H+](CCn2cccn2)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665699561 452259825 /nfs/dbraw/zinc/25/98/25/452259825.db2.gz QWQCSXGTAJJJCO-AWEZNQCLSA-N 2 2 343.435 1.078 20 0 EDADLP C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657464755 452265631 /nfs/dbraw/zinc/26/56/31/452265631.db2.gz VJDPVXYZMQTUEV-CQSZACIVSA-N 2 2 348.472 1.676 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000641789648 452267745 /nfs/dbraw/zinc/26/77/45/452267745.db2.gz OUDDDAGAXFJHQJ-SFHVURJKSA-N 2 2 333.476 1.581 20 0 EDADLP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655478124 452274077 /nfs/dbraw/zinc/27/40/77/452274077.db2.gz NNMRBVDQTUNUFX-ZMSDIMECSA-N 2 2 332.448 1.190 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(c2ccc3cccnc3n2)CC1 ZINC000655494890 452294470 /nfs/dbraw/zinc/29/44/70/452294470.db2.gz QHDNXHNIBMQDAV-MRXNPFEDSA-N 2 2 341.459 1.615 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[NH+]3CCC(C)CC3)cc2[nH+]1 ZINC000657521800 452305118 /nfs/dbraw/zinc/30/51/18/452305118.db2.gz CQUCSZNKPQZNQT-UHFFFAOYSA-N 2 2 343.431 1.429 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(C)C[NH2+]CCO3)n2)C1 ZINC000638050514 452319603 /nfs/dbraw/zinc/31/96/03/452319603.db2.gz OXQUOOXADFMRJY-BLLLJJGKSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(C)C[NH2+]CCO3)n2)C1 ZINC000638050514 452319614 /nfs/dbraw/zinc/31/96/14/452319614.db2.gz OXQUOOXADFMRJY-BLLLJJGKSA-N 2 2 338.477 1.692 20 0 EDADLP Cc1cccc([C@H](CNC(=O)CCC2C[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000638063899 452360943 /nfs/dbraw/zinc/36/09/43/452360943.db2.gz JPUMGTLJGLSBNW-SFHVURJKSA-N 2 2 331.460 1.484 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000647629706 452364987 /nfs/dbraw/zinc/36/49/87/452364987.db2.gz WQCWPIICHDYKBJ-HOCLYGCPSA-N 2 2 329.379 1.526 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(C)(CC(F)F)C2)CC1 ZINC000645393447 452368603 /nfs/dbraw/zinc/36/86/03/452368603.db2.gz YUZZTUJMKLRZQZ-UHFFFAOYSA-N 2 2 332.439 1.699 20 0 EDADLP COCCOCC[NH+]1CCN(Cc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000649898253 452372502 /nfs/dbraw/zinc/37/25/02/452372502.db2.gz IBSISKJFVPVFRK-UHFFFAOYSA-N 2 2 332.448 1.423 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000659526102 452389052 /nfs/dbraw/zinc/38/90/52/452389052.db2.gz KTJYUFUWIOXFLI-PBHICJAKSA-N 2 2 332.448 1.322 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652197921 452395666 /nfs/dbraw/zinc/39/56/66/452395666.db2.gz PSFIUECRYIFSSW-VGWMRTNUSA-N 2 2 349.479 1.892 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)[C@@H](C)CO1 ZINC000663685235 452423397 /nfs/dbraw/zinc/42/33/97/452423397.db2.gz BTSPIZRPLUKSOX-GJZGRUSLSA-N 2 2 349.479 1.170 20 0 EDADLP [NH3+]C1(CNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CCCC1 ZINC000659572556 452428328 /nfs/dbraw/zinc/42/83/28/452428328.db2.gz XONNRURGRVRONS-UHFFFAOYSA-N 2 2 337.493 1.632 20 0 EDADLP [NH3+]C1(CNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CCCC1 ZINC000659572556 452428337 /nfs/dbraw/zinc/42/83/37/452428337.db2.gz XONNRURGRVRONS-UHFFFAOYSA-N 2 2 337.493 1.632 20 0 EDADLP Cc1ccccc1C(F)(F)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659611781 452469989 /nfs/dbraw/zinc/46/99/89/452469989.db2.gz NTGJDOIAXOKIQI-CYBMUJFWSA-N 2 2 326.391 1.371 20 0 EDADLP Cc1ccccc1C(F)(F)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659611781 452469995 /nfs/dbraw/zinc/46/99/95/452469995.db2.gz NTGJDOIAXOKIQI-CYBMUJFWSA-N 2 2 326.391 1.371 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CCO1 ZINC000654417457 452470333 /nfs/dbraw/zinc/47/03/33/452470333.db2.gz QSDZGXDKXNTSFY-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CCO1 ZINC000654417457 452470342 /nfs/dbraw/zinc/47/03/42/452470342.db2.gz QSDZGXDKXNTSFY-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000654417457 452470347 /nfs/dbraw/zinc/47/03/47/452470347.db2.gz QSDZGXDKXNTSFY-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000654417457 452470352 /nfs/dbraw/zinc/47/03/52/452470352.db2.gz QSDZGXDKXNTSFY-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc2[nH+]1 ZINC000665951429 452483040 /nfs/dbraw/zinc/48/30/40/452483040.db2.gz KXVAYCSUGRTMPV-UHFFFAOYSA-N 3 2 332.452 1.648 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc2[nH+]1 ZINC000665951429 452483050 /nfs/dbraw/zinc/48/30/50/452483050.db2.gz KXVAYCSUGRTMPV-UHFFFAOYSA-N 3 2 332.452 1.648 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc2n1 ZINC000665951429 452483058 /nfs/dbraw/zinc/48/30/58/452483058.db2.gz KXVAYCSUGRTMPV-UHFFFAOYSA-N 2 2 332.452 1.648 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc2n1 ZINC000665951429 452483069 /nfs/dbraw/zinc/48/30/69/452483069.db2.gz KXVAYCSUGRTMPV-UHFFFAOYSA-N 2 2 332.452 1.648 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c[nH+]1 ZINC000645533369 452501412 /nfs/dbraw/zinc/50/14/12/452501412.db2.gz OBKXZPJAIWCCCL-UHFFFAOYSA-N 2 2 332.448 1.705 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655701751 452521085 /nfs/dbraw/zinc/52/10/85/452521085.db2.gz ZFUSNKWIZQZADD-INIZCTEOSA-N 2 2 326.448 1.655 20 0 EDADLP COc1cccc2c1OC[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000655709151 452525699 /nfs/dbraw/zinc/52/56/99/452525699.db2.gz SQPHKGSSZQURBQ-SJORKVTESA-N 2 2 332.444 1.842 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350169 452527034 /nfs/dbraw/zinc/52/70/34/452527034.db2.gz IVOJTWJCWJQSBB-UGSOOPFHSA-N 2 2 333.432 1.703 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350169 452527044 /nfs/dbraw/zinc/52/70/44/452527044.db2.gz IVOJTWJCWJQSBB-UGSOOPFHSA-N 2 2 333.432 1.703 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000655717352 452533864 /nfs/dbraw/zinc/53/38/64/452533864.db2.gz BZFMRKFMEPWVJL-UHFFFAOYSA-N 2 2 340.475 1.656 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)C[C@H]1C[NH3+] ZINC000652357066 452534954 /nfs/dbraw/zinc/53/49/54/452534954.db2.gz ZTZYLHTVNQDJIV-VXGBXAGGSA-N 2 2 325.375 1.081 20 0 EDADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000657800363 452535861 /nfs/dbraw/zinc/53/58/61/452535861.db2.gz DYYNAWKWZIUOFQ-SFHVURJKSA-N 2 2 327.476 1.932 20 0 EDADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000657800363 452535865 /nfs/dbraw/zinc/53/58/65/452535865.db2.gz DYYNAWKWZIUOFQ-SFHVURJKSA-N 2 2 327.476 1.932 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000652357315 452536686 /nfs/dbraw/zinc/53/66/86/452536686.db2.gz JGNXWTHBRALSPV-GZOSKZMVSA-N 2 2 347.459 1.311 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C[C@H]1C[NH3+] ZINC000652357315 452536692 /nfs/dbraw/zinc/53/66/92/452536692.db2.gz JGNXWTHBRALSPV-GZOSKZMVSA-N 2 2 347.459 1.311 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C(=O)N(CC)CC)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357872 452537683 /nfs/dbraw/zinc/53/76/83/452537683.db2.gz JOYPAYJZLNWARS-KURKYZTESA-N 2 2 333.476 1.892 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C(=O)N(CC)CC)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357872 452537693 /nfs/dbraw/zinc/53/76/93/452537693.db2.gz JOYPAYJZLNWARS-KURKYZTESA-N 2 2 333.476 1.892 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647815101 452546141 /nfs/dbraw/zinc/54/61/41/452546141.db2.gz PCGHIHOTOQXZAM-IBGZPJMESA-N 3 2 344.503 1.622 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647815101 452546146 /nfs/dbraw/zinc/54/61/46/452546146.db2.gz PCGHIHOTOQXZAM-IBGZPJMESA-N 3 2 344.503 1.622 20 0 EDADLP Cc1ccc(CCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000652370951 452560342 /nfs/dbraw/zinc/56/03/42/452560342.db2.gz YFKBTOKJJNAWTR-KRWDZBQOSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1ccc(CCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000652370951 452560351 /nfs/dbraw/zinc/56/03/51/452560351.db2.gz YFKBTOKJJNAWTR-KRWDZBQOSA-N 2 2 345.491 1.400 20 0 EDADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000655767471 452566987 /nfs/dbraw/zinc/56/69/87/452566987.db2.gz FGRCVENMONOAPY-KANFNMMFSA-N 2 2 335.492 1.476 20 0 EDADLP COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647849590 452582828 /nfs/dbraw/zinc/58/28/28/452582828.db2.gz YXQNTINPEVGPEZ-MRXNPFEDSA-N 2 2 335.448 1.648 20 0 EDADLP COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647849590 452582833 /nfs/dbraw/zinc/58/28/33/452582833.db2.gz YXQNTINPEVGPEZ-MRXNPFEDSA-N 2 2 335.448 1.648 20 0 EDADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000647860457 452594357 /nfs/dbraw/zinc/59/43/57/452594357.db2.gz IRELRDYLHYZDFJ-CZUORRHYSA-N 2 2 331.416 1.111 20 0 EDADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)CCO1 ZINC000647860457 452594360 /nfs/dbraw/zinc/59/43/60/452594360.db2.gz IRELRDYLHYZDFJ-CZUORRHYSA-N 2 2 331.416 1.111 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000647900946 452643633 /nfs/dbraw/zinc/64/36/33/452643633.db2.gz HWRZNRBOFOOCKY-FJIDUMEYSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000647900946 452643635 /nfs/dbraw/zinc/64/36/35/452643635.db2.gz HWRZNRBOFOOCKY-FJIDUMEYSA-N 2 2 335.492 1.620 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901648 452643675 /nfs/dbraw/zinc/64/36/75/452643675.db2.gz SGKUMDXOAFHEPK-OALUTQOASA-N 2 2 345.487 1.913 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901648 452643680 /nfs/dbraw/zinc/64/36/80/452643680.db2.gz SGKUMDXOAFHEPK-OALUTQOASA-N 2 2 345.487 1.913 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)n1 ZINC000654599451 452688322 /nfs/dbraw/zinc/68/83/22/452688322.db2.gz XPXASCRYOPKZQX-UHFFFAOYSA-N 2 2 327.432 1.190 20 0 EDADLP FC(F)(F)Cn1nnnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977965 452722796 /nfs/dbraw/zinc/72/27/96/452722796.db2.gz KGKYUXKLEPZFDQ-NWDGAFQWSA-N 2 2 332.374 1.447 20 0 EDADLP FC(F)(F)Cn1nnnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977965 452722802 /nfs/dbraw/zinc/72/28/02/452722802.db2.gz KGKYUXKLEPZFDQ-NWDGAFQWSA-N 2 2 332.374 1.447 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000659855355 452736274 /nfs/dbraw/zinc/73/62/74/452736274.db2.gz YIYZFBJGGODHSZ-SFHVURJKSA-N 2 2 339.524 1.848 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000659855355 452736283 /nfs/dbraw/zinc/73/62/83/452736283.db2.gz YIYZFBJGGODHSZ-SFHVURJKSA-N 2 2 339.524 1.848 20 0 EDADLP COc1ccccc1C[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659875918 452753396 /nfs/dbraw/zinc/75/33/96/452753396.db2.gz RTXPLLDFBIJHLV-HDICACEKSA-N 2 2 347.503 1.922 20 0 EDADLP COc1ccccc1C[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659875918 452753402 /nfs/dbraw/zinc/75/34/02/452753402.db2.gz RTXPLLDFBIJHLV-HDICACEKSA-N 2 2 347.503 1.922 20 0 EDADLP CN(CCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)CC[NH+](C)C ZINC000652617029 452774786 /nfs/dbraw/zinc/77/47/86/452774786.db2.gz NCPIYSRSQRYBKW-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP C[C@@H](O)CNc1cc(NCC2CC[NH+](C3CCOCC3)CC2)nc[nH+]1 ZINC000664152797 452825307 /nfs/dbraw/zinc/82/53/07/452825307.db2.gz HMDPGCQKOOJZIR-CQSZACIVSA-N 2 2 349.479 1.572 20 0 EDADLP C[C@@H](O)CNc1cc(NCC2CC[NH+](C3CCOCC3)CC2)[nH+]cn1 ZINC000664152797 452825316 /nfs/dbraw/zinc/82/53/16/452825316.db2.gz HMDPGCQKOOJZIR-CQSZACIVSA-N 2 2 349.479 1.572 20 0 EDADLP CO[C@@H](C)CCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118521 452836046 /nfs/dbraw/zinc/83/60/46/452836046.db2.gz CRHRBNOQLOQPPA-LSDHHAIUSA-N 2 2 334.464 1.706 20 0 EDADLP C[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)c1[nH+]ccn1C ZINC000662098818 452839930 /nfs/dbraw/zinc/83/99/30/452839930.db2.gz AXQWSZBHSVLFSW-MCIONIFRSA-N 2 2 337.468 1.668 20 0 EDADLP CO[C@@H](C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)C1CCCCC1 ZINC000658330484 452850635 /nfs/dbraw/zinc/85/06/35/452850635.db2.gz SBRXZLKJQVVNJT-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000652713913 452871124 /nfs/dbraw/zinc/87/11/24/452871124.db2.gz ZQXIMHMPDNSFFE-NTDBWNAOSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000652713913 452871133 /nfs/dbraw/zinc/87/11/33/452871133.db2.gz ZQXIMHMPDNSFFE-NTDBWNAOSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC000652713913 452871141 /nfs/dbraw/zinc/87/11/41/452871141.db2.gz ZQXIMHMPDNSFFE-NTDBWNAOSA-N 2 2 345.487 1.827 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC000652713913 452871149 /nfs/dbraw/zinc/87/11/49/452871149.db2.gz ZQXIMHMPDNSFFE-NTDBWNAOSA-N 2 2 345.487 1.827 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662161356 452901350 /nfs/dbraw/zinc/90/13/50/452901350.db2.gz SJUAQWHGHMYRBH-OALUTQOASA-N 2 2 348.487 1.574 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662161356 452901355 /nfs/dbraw/zinc/90/13/55/452901355.db2.gz SJUAQWHGHMYRBH-OALUTQOASA-N 2 2 348.487 1.574 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000648201271 452907089 /nfs/dbraw/zinc/90/70/89/452907089.db2.gz FASFBFMZCDBHHG-QGZVFWFLSA-N 2 2 347.507 1.815 20 0 EDADLP CC[N@H+](CCCNC(=O)[C@H]1COCC[NH+]1CC)C1CCCCC1 ZINC000652756752 452918112 /nfs/dbraw/zinc/91/81/12/452918112.db2.gz RVDKHKCQRVPHEH-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP CC[N@@H+](CCCNC(=O)[C@H]1COCC[NH+]1CC)C1CCCCC1 ZINC000652756752 452918120 /nfs/dbraw/zinc/91/81/20/452918120.db2.gz RVDKHKCQRVPHEH-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP CC[NH+](CCCNC(=O)[C@H]1COCC[N@@H+]1CC)C1CCCCC1 ZINC000652756752 452918129 /nfs/dbraw/zinc/91/81/29/452918129.db2.gz RVDKHKCQRVPHEH-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP CC[NH+](CCCNC(=O)[C@H]1COCC[N@H+]1CC)C1CCCCC1 ZINC000652756752 452918139 /nfs/dbraw/zinc/91/81/39/452918139.db2.gz RVDKHKCQRVPHEH-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP CC[N@H+](CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000652756819 452918199 /nfs/dbraw/zinc/91/81/99/452918199.db2.gz VDXQPIMLYAKKJG-KRWDZBQOSA-N 2 2 338.540 1.783 20 0 EDADLP CC[N@@H+](CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1)C1CCCCC1 ZINC000652756819 452918206 /nfs/dbraw/zinc/91/82/06/452918206.db2.gz VDXQPIMLYAKKJG-KRWDZBQOSA-N 2 2 338.540 1.783 20 0 EDADLP CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000664290411 452969300 /nfs/dbraw/zinc/96/93/00/452969300.db2.gz JLRTWNARTQTMDX-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000664290411 452969307 /nfs/dbraw/zinc/96/93/07/452969307.db2.gz JLRTWNARTQTMDX-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP FC(F)(F)c1cccc(C[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000662259227 452987756 /nfs/dbraw/zinc/98/77/56/452987756.db2.gz SMDBSWRWCPOOIB-MRXNPFEDSA-N 2 2 343.393 1.811 20 0 EDADLP CN(CC1C[NH+](C)C1)c1cc(C2CC2)[nH+]c(N(C)CC2C[NH+](C)C2)n1 ZINC000664329610 453003943 /nfs/dbraw/zinc/00/39/43/453003943.db2.gz HAZFGPGIMDUORZ-UHFFFAOYSA-N 3 2 344.507 1.350 20 0 EDADLP c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](C[C@@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662279064 453003960 /nfs/dbraw/zinc/00/39/60/453003960.db2.gz PNSGAVLWMMPBOI-CVEARBPZSA-N 2 2 327.432 1.640 20 0 EDADLP c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](C[C@@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662279064 453003967 /nfs/dbraw/zinc/00/39/67/453003967.db2.gz PNSGAVLWMMPBOI-CVEARBPZSA-N 2 2 327.432 1.640 20 0 EDADLP COc1cccc(SCC[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000662284163 453008096 /nfs/dbraw/zinc/00/80/96/453008096.db2.gz UFPAQPHBHMQARX-DLBZAZTESA-N 2 2 332.473 1.948 20 0 EDADLP COc1cccc(SCC[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000662284163 453008107 /nfs/dbraw/zinc/00/81/07/453008107.db2.gz UFPAQPHBHMQARX-DLBZAZTESA-N 2 2 332.473 1.948 20 0 EDADLP CC(C)[C@@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc(F)cc1 ZINC000662286073 453009431 /nfs/dbraw/zinc/00/94/31/453009431.db2.gz SXGBSGWEUJUNMJ-QGZVFWFLSA-N 2 2 337.439 1.343 20 0 EDADLP Cc1cc(C)c(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c(Cl)c1 ZINC000662285577 453009921 /nfs/dbraw/zinc/00/99/21/453009921.db2.gz DVIOZGSZOAPUKF-UHFFFAOYSA-N 2 2 325.840 1.599 20 0 EDADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc(Cl)cc1Cl ZINC000662286382 453011418 /nfs/dbraw/zinc/01/14/18/453011418.db2.gz SYWOCKYIRRHBNY-UHFFFAOYSA-N 2 2 332.231 1.636 20 0 EDADLP Cc1c(-c2cc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)on2)cnn1C ZINC000662326214 453042527 /nfs/dbraw/zinc/04/25/27/453042527.db2.gz WTAFZOJKTBFOFA-OAHLLOKOSA-N 2 2 347.463 1.926 20 0 EDADLP Cc1c(-c2cc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)on2)cnn1C ZINC000662326214 453042536 /nfs/dbraw/zinc/04/25/36/453042536.db2.gz WTAFZOJKTBFOFA-OAHLLOKOSA-N 2 2 347.463 1.926 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000658501706 453046908 /nfs/dbraw/zinc/04/69/08/453046908.db2.gz KSMFEXZGTMUQRH-ZIAGYGMSSA-N 2 2 347.463 1.105 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000658501706 453046918 /nfs/dbraw/zinc/04/69/18/453046918.db2.gz KSMFEXZGTMUQRH-ZIAGYGMSSA-N 2 2 347.463 1.105 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000658521174 453072177 /nfs/dbraw/zinc/07/21/77/453072177.db2.gz BRVBEFPNRSFDRD-OAHLLOKOSA-N 2 2 347.463 1.036 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000658521174 453072185 /nfs/dbraw/zinc/07/21/85/453072185.db2.gz BRVBEFPNRSFDRD-OAHLLOKOSA-N 2 2 347.463 1.036 20 0 EDADLP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000644154039 453087095 /nfs/dbraw/zinc/08/70/95/453087095.db2.gz PJQRVRWUCWBMEQ-OAHLLOKOSA-N 2 2 341.377 1.715 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102949 453102965 /nfs/dbraw/zinc/10/29/65/453102965.db2.gz YKFMMWIWUQHKJS-DLBZAZTESA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102949 453102978 /nfs/dbraw/zinc/10/29/78/453102978.db2.gz YKFMMWIWUQHKJS-DLBZAZTESA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000646103694 453107559 /nfs/dbraw/zinc/10/75/59/453107559.db2.gz LNRBYSQPQXLWPX-OAHLLOKOSA-N 2 2 349.450 1.800 20 0 EDADLP C[C@@H](NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000646103694 453107563 /nfs/dbraw/zinc/10/75/63/453107563.db2.gz LNRBYSQPQXLWPX-OAHLLOKOSA-N 2 2 349.450 1.800 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000662412308 453121771 /nfs/dbraw/zinc/12/17/71/453121771.db2.gz MGEDGOIXZMTITD-KRWDZBQOSA-N 2 2 335.448 1.012 20 0 EDADLP CC[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656383289 453154246 /nfs/dbraw/zinc/15/42/46/453154246.db2.gz RKGQNAHBTAZSEX-ZACQAIPSSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656383289 453154251 /nfs/dbraw/zinc/15/42/51/453154251.db2.gz RKGQNAHBTAZSEX-ZACQAIPSSA-N 2 2 338.496 1.364 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000652987867 453177259 /nfs/dbraw/zinc/17/72/59/453177259.db2.gz AFQYAQANZDFAMQ-UHFFFAOYSA-N 2 2 347.507 1.576 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000662494794 453211760 /nfs/dbraw/zinc/21/17/60/453211760.db2.gz XQBMFOIIFYBDNA-INIZCTEOSA-N 2 2 330.432 1.494 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666892478 453219675 /nfs/dbraw/zinc/21/96/75/453219675.db2.gz PKRFPHKGTIGKIW-CVEARBPZSA-N 2 2 326.444 1.804 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000662512812 453231263 /nfs/dbraw/zinc/23/12/63/453231263.db2.gz WHJSJLKMXAHWSO-ARFHVFGLSA-N 2 2 339.867 1.954 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000662512812 453231269 /nfs/dbraw/zinc/23/12/69/453231269.db2.gz WHJSJLKMXAHWSO-ARFHVFGLSA-N 2 2 339.867 1.954 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653061140 453236284 /nfs/dbraw/zinc/23/62/84/453236284.db2.gz CNIQQTYCYBAMND-KRWDZBQOSA-N 2 2 329.448 1.384 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000653063156 453240061 /nfs/dbraw/zinc/24/00/61/453240061.db2.gz ZNFAYFZAGGVWFD-AWEZNQCLSA-N 2 2 347.381 1.661 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1[nH+]ccn1C ZINC000660353333 453240808 /nfs/dbraw/zinc/24/08/08/453240808.db2.gz IESBXGKTLGJVCF-CQSZACIVSA-N 2 2 342.447 1.840 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2cc(Br)ccc21 ZINC000653064869 453241475 /nfs/dbraw/zinc/24/14/75/453241475.db2.gz IQBOLNBTRUAALJ-LBPRGKRZSA-N 2 2 326.238 1.617 20 0 EDADLP C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653066927 453244815 /nfs/dbraw/zinc/24/48/15/453244815.db2.gz IGGOVCUTNXMCHN-RHSMWYFYSA-N 2 2 346.475 1.919 20 0 EDADLP Cc1cc(C)n(-c2ccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)n1 ZINC000653069293 453247963 /nfs/dbraw/zinc/24/79/63/453247963.db2.gz IWAGMFIOMNQDHJ-SFHVURJKSA-N 2 2 343.475 1.427 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000666925196 453250127 /nfs/dbraw/zinc/25/01/27/453250127.db2.gz SSRYOLMPTFOQFT-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000666925196 453250132 /nfs/dbraw/zinc/25/01/32/453250132.db2.gz SSRYOLMPTFOQFT-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP CN(Cc1cc(Br)cs1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653072226 453251450 /nfs/dbraw/zinc/25/14/50/453251450.db2.gz JDYNUPVHPHHRAX-LLVKDONJSA-N 2 2 334.283 1.748 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000653087191 453268048 /nfs/dbraw/zinc/26/80/48/453268048.db2.gz ORGXWYFUBYFZHW-GFCCVEGCSA-N 2 2 337.424 1.486 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000653090355 453272593 /nfs/dbraw/zinc/27/25/93/453272593.db2.gz MYBFKJXLICPEFQ-GFCCVEGCSA-N 2 2 326.238 1.617 20 0 EDADLP CCN(CC(=O)Nc1c(C)cccc1C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653096879 453280233 /nfs/dbraw/zinc/28/02/33/453280233.db2.gz YCHRIRQUDFCGLN-OAHLLOKOSA-N 2 2 334.464 1.369 20 0 EDADLP COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000653105113 453288533 /nfs/dbraw/zinc/28/85/33/453288533.db2.gz GMICRPJZXZCUBG-ROUUACIJSA-N 3 2 348.491 1.227 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660434828 453307567 /nfs/dbraw/zinc/30/75/67/453307567.db2.gz CFMVMGRPWIQSKY-INIZCTEOSA-N 2 2 335.452 1.216 20 0 EDADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653119195 453308950 /nfs/dbraw/zinc/30/89/50/453308950.db2.gz BCMPDGXBAARQSN-QZTJIDSGSA-N 3 2 332.492 1.246 20 0 EDADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653119195 453308959 /nfs/dbraw/zinc/30/89/59/453308959.db2.gz BCMPDGXBAARQSN-QZTJIDSGSA-N 3 2 332.492 1.246 20 0 EDADLP c1nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000664678771 453314524 /nfs/dbraw/zinc/31/45/24/453314524.db2.gz MIHBUFUREULWPQ-MRXNPFEDSA-N 2 2 331.464 1.847 20 0 EDADLP c1nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000664678771 453314534 /nfs/dbraw/zinc/31/45/34/453314534.db2.gz MIHBUFUREULWPQ-MRXNPFEDSA-N 2 2 331.464 1.847 20 0 EDADLP c1nc(N2CCOCC2)cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000664678771 453314540 /nfs/dbraw/zinc/31/45/40/453314540.db2.gz MIHBUFUREULWPQ-MRXNPFEDSA-N 2 2 331.464 1.847 20 0 EDADLP c1nc(N2CCOCC2)cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000664678771 453314548 /nfs/dbraw/zinc/31/45/48/453314548.db2.gz MIHBUFUREULWPQ-MRXNPFEDSA-N 2 2 331.464 1.847 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653125089 453319774 /nfs/dbraw/zinc/31/97/74/453319774.db2.gz SJPCISWDOMVRTD-OALUTQOASA-N 2 2 342.487 1.455 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000660464516 453326464 /nfs/dbraw/zinc/32/64/64/453326464.db2.gz BJSDKLHVCKFEHH-BRWVUGGUSA-N 2 2 328.460 1.959 20 0 EDADLP Cc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1Br ZINC000653155670 453346868 /nfs/dbraw/zinc/34/68/68/453346868.db2.gz BPESIWSQGRKSGR-LBPRGKRZSA-N 2 2 328.254 1.653 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000653158788 453350812 /nfs/dbraw/zinc/35/08/12/453350812.db2.gz LSSDEQYYKVWHLL-PWSUYJOCSA-N 2 2 339.308 1.963 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646381199 453358541 /nfs/dbraw/zinc/35/85/41/453358541.db2.gz JQFREYHJIXDQPM-HUUCEWRRSA-N 2 2 340.431 1.514 20 0 EDADLP C[C@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)c1[nH+]ccn1C ZINC000660512136 453361163 /nfs/dbraw/zinc/36/11/63/453361163.db2.gz NQRWCKFYEIQMJL-AWEZNQCLSA-N 2 2 345.447 1.921 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000651208617 453364112 /nfs/dbraw/zinc/36/41/12/453364112.db2.gz JSXYJQJDGNHQRE-OAHLLOKOSA-N 2 2 341.459 1.512 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])c[nH+]2)CC1 ZINC000662676505 453393732 /nfs/dbraw/zinc/39/37/32/453393732.db2.gz XRCVZTPCTCOJFH-CVEARBPZSA-N 2 2 332.448 1.298 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@@H](C)CO1 ZINC000664785539 453403812 /nfs/dbraw/zinc/40/38/12/453403812.db2.gz RMFVBLFMNBXYGH-XHSDSOJGSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@@H](C)CO1 ZINC000664785539 453403823 /nfs/dbraw/zinc/40/38/23/453403823.db2.gz RMFVBLFMNBXYGH-XHSDSOJGSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@@H](C)CO1 ZINC000664785539 453403832 /nfs/dbraw/zinc/40/38/32/453403832.db2.gz RMFVBLFMNBXYGH-XHSDSOJGSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@@H](C)CO1 ZINC000664785539 453403843 /nfs/dbraw/zinc/40/38/43/453403843.db2.gz RMFVBLFMNBXYGH-XHSDSOJGSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000646472364 453420263 /nfs/dbraw/zinc/42/02/63/453420263.db2.gz FHXUXYVERPFGSB-HOCLYGCPSA-N 2 2 333.480 1.183 20 0 EDADLP C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@H]1CC[NH3+] ZINC000653243136 453426680 /nfs/dbraw/zinc/42/66/80/453426680.db2.gz YUZTZELRRMXVIO-WBVHZDCISA-N 2 2 347.507 1.608 20 0 EDADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000662707920 453429997 /nfs/dbraw/zinc/42/99/97/453429997.db2.gz ORTVEPXYXBCBKU-UHFFFAOYSA-N 2 2 337.387 1.845 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC1([NH3+])CC1 ZINC000662717579 453441876 /nfs/dbraw/zinc/44/18/76/453441876.db2.gz POFGMICDYQFRPO-INIZCTEOSA-N 2 2 331.460 1.617 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000664889581 453467653 /nfs/dbraw/zinc/46/76/53/453467653.db2.gz PHTDEPZOSSOZRC-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000664889581 453467660 /nfs/dbraw/zinc/46/76/60/453467660.db2.gz PHTDEPZOSSOZRC-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664889581 453467665 /nfs/dbraw/zinc/46/76/65/453467665.db2.gz PHTDEPZOSSOZRC-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664889581 453467672 /nfs/dbraw/zinc/46/76/72/453467672.db2.gz PHTDEPZOSSOZRC-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](C)CC1 ZINC000651323062 453469732 /nfs/dbraw/zinc/46/97/32/453469732.db2.gz OKVPRFFEYRQNQX-INIZCTEOSA-N 2 2 327.432 1.661 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662744239 453472246 /nfs/dbraw/zinc/47/22/46/453472246.db2.gz ZDAVNFJOBZWPAC-CQSZACIVSA-N 2 2 345.451 1.375 20 0 EDADLP CN(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651327127 453472461 /nfs/dbraw/zinc/47/24/61/453472461.db2.gz VCHGBVMKXIDILL-INIZCTEOSA-N 2 2 329.448 1.907 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662760123 453498487 /nfs/dbraw/zinc/49/84/87/453498487.db2.gz VYNSJGWLKHRDMD-CYBMUJFWSA-N 2 2 343.431 1.782 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc(CCn4cc[nH+]c4)n3)nc2)CC1 ZINC000664941007 453504906 /nfs/dbraw/zinc/50/49/06/453504906.db2.gz YJCUIXNYNFYWOW-UHFFFAOYSA-N 2 2 339.403 1.323 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCCCC1(F)F ZINC000664982244 453529164 /nfs/dbraw/zinc/52/91/64/453529164.db2.gz OOMOGVSTIDHZLZ-CQSZACIVSA-N 2 2 334.455 1.995 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCCC1(F)F ZINC000664982244 453529172 /nfs/dbraw/zinc/52/91/72/453529172.db2.gz OOMOGVSTIDHZLZ-CQSZACIVSA-N 2 2 334.455 1.995 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655445509 453531907 /nfs/dbraw/zinc/53/19/07/453531907.db2.gz ZYPZKPQDAKAEOR-WMZOPIPTSA-N 2 2 332.448 1.325 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665046490 453551958 /nfs/dbraw/zinc/55/19/58/453551958.db2.gz JIYXNOWLJJDGIW-PBHICJAKSA-N 2 2 330.432 1.436 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665046490 453551961 /nfs/dbraw/zinc/55/19/61/453551961.db2.gz JIYXNOWLJJDGIW-PBHICJAKSA-N 2 2 330.432 1.436 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NCC1CC[NH+](CC3CC3)CC1)CC2 ZINC000667336885 453567914 /nfs/dbraw/zinc/56/79/14/453567914.db2.gz SLKCSLMCJVIGRJ-UHFFFAOYSA-N 2 2 331.464 1.839 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662848913 453569721 /nfs/dbraw/zinc/56/97/21/453569721.db2.gz CCUHKRJNXPAOBK-NXHRZFHOSA-N 2 2 331.460 1.486 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662848913 453569727 /nfs/dbraw/zinc/56/97/27/453569727.db2.gz CCUHKRJNXPAOBK-NXHRZFHOSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@H](C)CO1 ZINC000662860442 453574945 /nfs/dbraw/zinc/57/49/45/453574945.db2.gz RXFVNJYNBJKWIE-IAGOWNOFSA-N 2 2 345.487 1.533 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@H](C)CO1 ZINC000662860442 453574952 /nfs/dbraw/zinc/57/49/52/453574952.db2.gz RXFVNJYNBJKWIE-IAGOWNOFSA-N 2 2 345.487 1.533 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659034679 453591065 /nfs/dbraw/zinc/59/10/65/453591065.db2.gz PRRXZWVWQMVCJR-RHSMWYFYSA-N 2 2 348.447 1.190 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659034679 453591068 /nfs/dbraw/zinc/59/10/68/453591068.db2.gz PRRXZWVWQMVCJR-RHSMWYFYSA-N 2 2 348.447 1.190 20 0 EDADLP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900248 453593645 /nfs/dbraw/zinc/59/36/45/453593645.db2.gz KQZVBRPWSPWPFB-SJORKVTESA-N 3 2 336.524 1.392 20 0 EDADLP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900248 453593649 /nfs/dbraw/zinc/59/36/49/453593649.db2.gz KQZVBRPWSPWPFB-SJORKVTESA-N 3 2 336.524 1.392 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(F)c(Br)c1F ZINC000662919446 453604293 /nfs/dbraw/zinc/60/42/93/453604293.db2.gz BFRZDJRGYIUIMH-QMMMGPOBSA-N 2 2 336.180 1.945 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000662940902 453617009 /nfs/dbraw/zinc/61/70/09/453617009.db2.gz PZAYFZCZRSMDOQ-IAGOWNOFSA-N 2 2 332.492 1.292 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000662940902 453617012 /nfs/dbraw/zinc/61/70/12/453617012.db2.gz PZAYFZCZRSMDOQ-IAGOWNOFSA-N 2 2 332.492 1.292 20 0 EDADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291146 453637985 /nfs/dbraw/zinc/63/79/85/453637985.db2.gz VLEJNDCCRLHVSH-BBRMVZONSA-N 3 2 333.480 1.774 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000659111482 453642347 /nfs/dbraw/zinc/64/23/47/453642347.db2.gz AZQXLSFZOMSVHT-CYBMUJFWSA-N 2 2 342.399 1.845 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000665410757 453684816 /nfs/dbraw/zinc/68/48/16/453684816.db2.gz NHUNPSKGXBHCEI-AWEZNQCLSA-N 2 2 326.485 1.221 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000665410757 453684818 /nfs/dbraw/zinc/68/48/18/453684818.db2.gz NHUNPSKGXBHCEI-AWEZNQCLSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000659317360 453713861 /nfs/dbraw/zinc/71/38/61/453713861.db2.gz OLJQIARDQDDVRX-HIFRSBDPSA-N 2 2 325.478 1.706 20 0 EDADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1C[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000663331302 453771967 /nfs/dbraw/zinc/77/19/67/453771967.db2.gz HUEWSXXIBXNCTP-CVEARBPZSA-N 2 2 339.399 1.147 20 0 EDADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1C[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000663331302 453771971 /nfs/dbraw/zinc/77/19/71/453771971.db2.gz HUEWSXXIBXNCTP-CVEARBPZSA-N 2 2 339.399 1.147 20 0 EDADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1C[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000663331302 453771975 /nfs/dbraw/zinc/77/19/75/453771975.db2.gz HUEWSXXIBXNCTP-CVEARBPZSA-N 2 2 339.399 1.147 20 0 EDADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1C[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000663331302 453771976 /nfs/dbraw/zinc/77/19/76/453771976.db2.gz HUEWSXXIBXNCTP-CVEARBPZSA-N 2 2 339.399 1.147 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661242044 453772019 /nfs/dbraw/zinc/77/20/19/453772019.db2.gz IPSPBGHGRRZQBU-KRWDZBQOSA-N 2 2 338.496 1.369 20 0 EDADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657430710 453785772 /nfs/dbraw/zinc/78/57/72/453785772.db2.gz AXQAPFJSOMFTPN-SFHVURJKSA-N 3 2 326.444 1.686 20 0 EDADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657430710 453785776 /nfs/dbraw/zinc/78/57/76/453785776.db2.gz AXQAPFJSOMFTPN-SFHVURJKSA-N 3 2 326.444 1.686 20 0 EDADLP CC[NH+]1CCN(CCNc2cc(COC)[nH+]c3ccc(F)cc23)CC1 ZINC000663396710 453789055 /nfs/dbraw/zinc/78/90/55/453789055.db2.gz IQCBMCAHTOEIDQ-UHFFFAOYSA-N 2 2 346.450 1.992 20 0 EDADLP C[NH+]1CCN(c2ccc(CNc3nc[nH+]c4c3OCCN4)cn2)CC1 ZINC000665690137 453789622 /nfs/dbraw/zinc/78/96/22/453789622.db2.gz DSVPHHWJBOGYMT-UHFFFAOYSA-N 2 2 341.419 1.040 20 0 EDADLP C[NH+]1CCN(c2ccc(CNc3[nH+]cnc4c3OCCN4)cn2)CC1 ZINC000665690137 453789624 /nfs/dbraw/zinc/78/96/24/453789624.db2.gz DSVPHHWJBOGYMT-UHFFFAOYSA-N 2 2 341.419 1.040 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCC2)[C@@H](C)CO1 ZINC000663439340 453799120 /nfs/dbraw/zinc/79/91/20/453799120.db2.gz OIWYFEQEEXUHDL-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCC2)[C@@H](C)CO1 ZINC000663439340 453799121 /nfs/dbraw/zinc/79/91/21/453799121.db2.gz OIWYFEQEEXUHDL-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661403650 453812122 /nfs/dbraw/zinc/81/21/22/453812122.db2.gz MTAHZOGZGSNVJW-OWCLPIDISA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661403650 453812125 /nfs/dbraw/zinc/81/21/25/453812125.db2.gz MTAHZOGZGSNVJW-OWCLPIDISA-N 2 2 338.496 1.364 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676191423 486686317 /nfs/dbraw/zinc/68/63/17/486686317.db2.gz OCDKUEOKTZJLJZ-IBGZPJMESA-N 2 2 342.443 1.369 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000676191423 486686320 /nfs/dbraw/zinc/68/63/20/486686320.db2.gz OCDKUEOKTZJLJZ-IBGZPJMESA-N 2 2 342.443 1.369 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676242816 486702224 /nfs/dbraw/zinc/70/22/24/486702224.db2.gz AXEIZDMFXXOOCG-PBHICJAKSA-N 2 2 332.448 1.021 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676242816 486702227 /nfs/dbraw/zinc/70/22/27/486702227.db2.gz AXEIZDMFXXOOCG-PBHICJAKSA-N 2 2 332.448 1.021 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000435346220 486703657 /nfs/dbraw/zinc/70/36/57/486703657.db2.gz QIDGFPZUJKAEFU-JKSUJKDBSA-N 2 2 349.479 1.836 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000435346220 486703661 /nfs/dbraw/zinc/70/36/61/486703661.db2.gz QIDGFPZUJKAEFU-JKSUJKDBSA-N 2 2 349.479 1.836 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000676243373 486704071 /nfs/dbraw/zinc/70/40/71/486704071.db2.gz GJDMDFPSKWPXLN-RYQLBKOJSA-N 2 2 348.491 1.616 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000676243373 486704076 /nfs/dbraw/zinc/70/40/76/486704076.db2.gz GJDMDFPSKWPXLN-RYQLBKOJSA-N 2 2 348.491 1.616 20 0 EDADLP C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676263679 486716043 /nfs/dbraw/zinc/71/60/43/486716043.db2.gz KDBIAVSVLQCMBE-DOMZBBRYSA-N 2 2 330.392 1.108 20 0 EDADLP C[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676263679 486716047 /nfs/dbraw/zinc/71/60/47/486716047.db2.gz KDBIAVSVLQCMBE-DOMZBBRYSA-N 2 2 330.392 1.108 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000676270290 486717855 /nfs/dbraw/zinc/71/78/55/486717855.db2.gz OFKGIBUNAWCHFT-CQSZACIVSA-N 2 2 333.436 1.442 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414962327 486735216 /nfs/dbraw/zinc/73/52/16/486735216.db2.gz JOFSORHPNXTPMW-CYBMUJFWSA-N 2 2 349.276 1.991 20 0 EDADLP CC(=O)C(C)(C)CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000676487562 486784090 /nfs/dbraw/zinc/78/40/90/486784090.db2.gz QCEKYSDPMHMXJL-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP CC(=O)C(C)(C)CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000676487562 486784097 /nfs/dbraw/zinc/78/40/97/486784097.db2.gz QCEKYSDPMHMXJL-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)[C@H](C)C1 ZINC000672781517 486798896 /nfs/dbraw/zinc/79/88/96/486798896.db2.gz KNUSCBRFQHWIKW-HZPDHXFCSA-N 2 2 346.475 1.099 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)[C@H](C)C1 ZINC000672781517 486798897 /nfs/dbraw/zinc/79/88/97/486798897.db2.gz KNUSCBRFQHWIKW-HZPDHXFCSA-N 2 2 346.475 1.099 20 0 EDADLP C[NH2+]CCN(C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417832813 486816416 /nfs/dbraw/zinc/81/64/16/486816416.db2.gz RMLSKVCBRKQURM-UONOGXRCSA-N 2 2 340.493 1.371 20 0 EDADLP C[NH2+]CCN(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417832813 486816423 /nfs/dbraw/zinc/81/64/23/486816423.db2.gz RMLSKVCBRKQURM-UONOGXRCSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000667642208 486894794 /nfs/dbraw/zinc/89/47/94/486894794.db2.gz SIQBHJOZDKNGSX-CRAIPNDOSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC[NH+](C)CC1 ZINC000683985051 486896025 /nfs/dbraw/zinc/89/60/25/486896025.db2.gz DPLQYPFZUTVNBZ-RHSMWYFYSA-N 2 2 332.448 1.975 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000676841712 486900479 /nfs/dbraw/zinc/90/04/79/486900479.db2.gz LOBWLIJUBCCAGM-UHFFFAOYSA-N 2 2 344.459 1.497 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000676841712 486900483 /nfs/dbraw/zinc/90/04/83/486900483.db2.gz LOBWLIJUBCCAGM-UHFFFAOYSA-N 2 2 344.459 1.497 20 0 EDADLP C[C@H](CC(F)(F)F)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680978511 486912118 /nfs/dbraw/zinc/91/21/18/486912118.db2.gz AACGYXCYQLKXJK-NEPJUHHUSA-N 2 2 336.402 1.795 20 0 EDADLP C[C@H](CC(F)(F)F)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680978511 486912122 /nfs/dbraw/zinc/91/21/22/486912122.db2.gz AACGYXCYQLKXJK-NEPJUHHUSA-N 2 2 336.402 1.795 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)o1 ZINC000684069311 486932940 /nfs/dbraw/zinc/93/29/40/486932940.db2.gz NCWVUWGEDUHHKS-OAHLLOKOSA-N 2 2 337.464 1.914 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCOC[C@@H]3CCOC3)c12 ZINC000677002689 486951626 /nfs/dbraw/zinc/95/16/26/486951626.db2.gz VGBGUEQDVAQBIE-CYBMUJFWSA-N 2 2 340.387 1.676 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000677114644 486978421 /nfs/dbraw/zinc/97/84/21/486978421.db2.gz OWHWPCMGKXZRDH-HZPDHXFCSA-N 2 2 340.431 1.904 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000681552089 487084168 /nfs/dbraw/zinc/08/41/68/487084168.db2.gz XYRBAWNAVSZXKQ-HNNXBMFYSA-N 2 2 339.443 1.621 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)[nH+]c12 ZINC000673776953 487111585 /nfs/dbraw/zinc/11/15/85/487111585.db2.gz QFEQZDKZRITRHD-CABCVRRESA-N 2 2 329.448 1.967 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c12 ZINC000673776953 487111588 /nfs/dbraw/zinc/11/15/88/487111588.db2.gz QFEQZDKZRITRHD-CABCVRRESA-N 2 2 329.448 1.967 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674245711 487222765 /nfs/dbraw/zinc/22/27/65/487222765.db2.gz UYRJNMDMQMDEHX-INIZCTEOSA-N 2 2 332.492 1.390 20 0 EDADLP CCCCNC(=O)CN1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000678073100 487241267 /nfs/dbraw/zinc/24/12/67/487241267.db2.gz OJXOKYSUOUDBLU-UHFFFAOYSA-N 2 2 335.496 1.506 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1)C1CC1 ZINC000685561868 487295551 /nfs/dbraw/zinc/29/55/51/487295551.db2.gz JULXMQLRKGJPBC-GOSISDBHSA-N 2 2 337.508 1.602 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1)C1CC1 ZINC000685561868 487295555 /nfs/dbraw/zinc/29/55/55/487295555.db2.gz JULXMQLRKGJPBC-GOSISDBHSA-N 2 2 337.508 1.602 20 0 EDADLP Cc1ccncc1[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678444334 487310667 /nfs/dbraw/zinc/31/06/67/487310667.db2.gz DDOXQVKVGSUNJK-HOTGVXAUSA-N 2 2 345.491 1.919 20 0 EDADLP Cc1ccncc1[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678444334 487310671 /nfs/dbraw/zinc/31/06/71/487310671.db2.gz DDOXQVKVGSUNJK-HOTGVXAUSA-N 2 2 345.491 1.919 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678670234 487348979 /nfs/dbraw/zinc/34/89/79/487348979.db2.gz DHWRAEFKCYMZMA-UHFFFAOYSA-N 2 2 349.394 1.405 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000682480792 487373071 /nfs/dbraw/zinc/37/30/71/487373071.db2.gz GHUIXTSTFKMRCO-HOTGVXAUSA-N 2 2 332.448 1.159 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000682480792 487373074 /nfs/dbraw/zinc/37/30/74/487373074.db2.gz GHUIXTSTFKMRCO-HOTGVXAUSA-N 2 2 332.448 1.159 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000675782259 487443716 /nfs/dbraw/zinc/44/37/16/487443716.db2.gz PKPWKHWDZQEJDW-MRXNPFEDSA-N 3 2 348.491 1.052 20 0 EDADLP Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000675788017 487444287 /nfs/dbraw/zinc/44/42/87/487444287.db2.gz UGVJXXPPAVBVSB-UHFFFAOYSA-N 2 2 330.407 1.893 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000679827925 487466359 /nfs/dbraw/zinc/46/63/59/487466359.db2.gz UOPMVINRHGCFIM-MOPGFXCFSA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000679827925 487466361 /nfs/dbraw/zinc/46/63/61/487466361.db2.gz UOPMVINRHGCFIM-MOPGFXCFSA-N 2 2 332.419 1.942 20 0 EDADLP CC[C@H]1CN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[C@@H]1[NH3+] ZINC000669512048 485476901 /nfs/dbraw/zinc/47/69/01/485476901.db2.gz TUSKCMQLRALMOD-HOCLYGCPSA-N 2 2 329.448 1.954 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)[C@@H](C[NH3+])C1 ZINC000669523709 485491858 /nfs/dbraw/zinc/49/18/58/485491858.db2.gz UNMXUFWQBLSHKZ-QMMMGPOBSA-N 2 2 334.317 1.027 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2c(F)c(F)cc(F)c2F)[C@@H](C[NH3+])C1 ZINC000669523709 485491865 /nfs/dbraw/zinc/49/18/65/485491865.db2.gz UNMXUFWQBLSHKZ-QMMMGPOBSA-N 2 2 334.317 1.027 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987656 485613591 /nfs/dbraw/zinc/61/35/91/485613591.db2.gz ZPPBKURWVOXJDI-FGTMMUONSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987656 485613597 /nfs/dbraw/zinc/61/35/97/485613597.db2.gz ZPPBKURWVOXJDI-FGTMMUONSA-N 2 2 337.508 1.868 20 0 EDADLP CC1([NH3+])CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000668608522 485943640 /nfs/dbraw/zinc/94/36/40/485943640.db2.gz POQHBPZENFSPSJ-QGZVFWFLSA-N 2 2 346.475 1.410 20 0 EDADLP CC1([NH3+])CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000668608522 485943649 /nfs/dbraw/zinc/94/36/49/485943649.db2.gz POQHBPZENFSPSJ-QGZVFWFLSA-N 2 2 346.475 1.410 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617418 485956695 /nfs/dbraw/zinc/95/66/95/485956695.db2.gz KOQJIRIIAPNIMV-BRWVUGGUSA-N 3 2 345.491 1.151 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617418 485956704 /nfs/dbraw/zinc/95/67/04/485956704.db2.gz KOQJIRIIAPNIMV-BRWVUGGUSA-N 3 2 345.491 1.151 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617418 485956706 /nfs/dbraw/zinc/95/67/06/485956706.db2.gz KOQJIRIIAPNIMV-BRWVUGGUSA-N 2 2 345.491 1.151 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617418 485956715 /nfs/dbraw/zinc/95/67/15/485956715.db2.gz KOQJIRIIAPNIMV-BRWVUGGUSA-N 2 2 345.491 1.151 20 0 EDADLP Cc1ccncc1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618724 485960232 /nfs/dbraw/zinc/96/02/32/485960232.db2.gz UOBRDUBQWOSKJK-SFHVURJKSA-N 2 2 330.476 1.559 20 0 EDADLP Cc1ccncc1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618724 485960237 /nfs/dbraw/zinc/96/02/37/485960237.db2.gz UOBRDUBQWOSKJK-SFHVURJKSA-N 2 2 330.476 1.559 20 0 EDADLP CC1([NH3+])CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000669366364 486014917 /nfs/dbraw/zinc/01/49/17/486014917.db2.gz ZPZSXZFVZAJRMQ-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NC/C=C\C[NH3+])cc1 ZINC000668844177 486254140 /nfs/dbraw/zinc/25/41/40/486254140.db2.gz PMWOLTKQDQDJCE-BAHPRDJBSA-N 2 2 332.448 1.182 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000669509209 486293173 /nfs/dbraw/zinc/29/31/73/486293173.db2.gz IGUTZCGSJVLYSB-RHSMWYFYSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000669509209 486293179 /nfs/dbraw/zinc/29/31/79/486293179.db2.gz IGUTZCGSJVLYSB-RHSMWYFYSA-N 2 2 342.447 1.218 20 0 EDADLP CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000358411086 486335640 /nfs/dbraw/zinc/33/56/40/486335640.db2.gz OLPDYSSCVBERRD-IRXDYDNUSA-N 2 2 325.497 1.532 20 0 EDADLP CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000358411086 486335650 /nfs/dbraw/zinc/33/56/50/486335650.db2.gz OLPDYSSCVBERRD-IRXDYDNUSA-N 2 2 325.497 1.532 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000131347554 491212759 /nfs/dbraw/zinc/21/27/59/491212759.db2.gz FDUZGRKOVFLFRF-SFHVURJKSA-N 2 2 343.471 1.578 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000131347554 491212763 /nfs/dbraw/zinc/21/27/63/491212763.db2.gz FDUZGRKOVFLFRF-SFHVURJKSA-N 2 2 343.471 1.578 20 0 EDADLP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657596379 491003791 /nfs/dbraw/zinc/00/37/91/491003791.db2.gz MRCODKVNYFHICV-IBGZPJMESA-N 2 2 341.459 1.860 20 0 EDADLP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C4CCC4)nn3)cc2)C1 ZINC000657596379 491003792 /nfs/dbraw/zinc/00/37/92/491003792.db2.gz MRCODKVNYFHICV-IBGZPJMESA-N 2 2 341.459 1.860 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000245898691 536474697 /nfs/dbraw/zinc/47/46/97/536474697.db2.gz DIARIOBCQGGAPI-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000245898691 536474699 /nfs/dbraw/zinc/47/46/99/536474699.db2.gz DIARIOBCQGGAPI-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000245898691 536474700 /nfs/dbraw/zinc/47/47/00/536474700.db2.gz DIARIOBCQGGAPI-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000245898691 536474703 /nfs/dbraw/zinc/47/47/03/536474703.db2.gz DIARIOBCQGGAPI-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP CC(C)[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000194977581 535019527 /nfs/dbraw/zinc/01/95/27/535019527.db2.gz WEYPEOHWCDFYDF-ZWKOTPCHSA-N 2 2 342.491 1.756 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000346226816 535207023 /nfs/dbraw/zinc/20/70/23/535207023.db2.gz WUIXTSFRKDEVEG-OAHLLOKOSA-N 2 2 337.489 1.332 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000346226816 535207025 /nfs/dbraw/zinc/20/70/25/535207025.db2.gz WUIXTSFRKDEVEG-OAHLLOKOSA-N 2 2 337.489 1.332 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000346226816 535207028 /nfs/dbraw/zinc/20/70/28/535207028.db2.gz WUIXTSFRKDEVEG-OAHLLOKOSA-N 2 2 337.489 1.332 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000346226816 535207032 /nfs/dbraw/zinc/20/70/32/535207032.db2.gz WUIXTSFRKDEVEG-OAHLLOKOSA-N 2 2 337.489 1.332 20 0 EDADLP CC(C)[C@@](C)(CO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352916888 535309239 /nfs/dbraw/zinc/30/92/39/535309239.db2.gz SDNMMEIIRDACIW-GOSISDBHSA-N 2 2 334.464 1.117 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)[C@@H](C)C1 ZINC000249459103 535526792 /nfs/dbraw/zinc/52/67/92/535526792.db2.gz QIDRUGHYDIYBHH-XHSDSOJGSA-N 2 2 349.479 1.530 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ncccn2)[C@@H](C)C1 ZINC000249459103 535526801 /nfs/dbraw/zinc/52/68/01/535526801.db2.gz QIDRUGHYDIYBHH-XHSDSOJGSA-N 2 2 349.479 1.530 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000353336403 535735814 /nfs/dbraw/zinc/73/58/14/535735814.db2.gz YCRQJYUYYLQOBI-HXOBKFHXSA-N 2 2 335.517 1.636 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000353336403 535735816 /nfs/dbraw/zinc/73/58/16/535735816.db2.gz YCRQJYUYYLQOBI-HXOBKFHXSA-N 2 2 335.517 1.636 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000093133322 535737791 /nfs/dbraw/zinc/73/77/91/535737791.db2.gz YCRQJYUYYLQOBI-UZUQRXQVSA-N 2 2 335.517 1.636 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000093133322 535737795 /nfs/dbraw/zinc/73/77/95/535737795.db2.gz YCRQJYUYYLQOBI-UZUQRXQVSA-N 2 2 335.517 1.636 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000247045191 535943899 /nfs/dbraw/zinc/94/38/99/535943899.db2.gz GTFNHUJSQLEJTA-MSOLQXFVSA-N 2 2 344.503 1.513 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000247045191 535943901 /nfs/dbraw/zinc/94/39/01/535943901.db2.gz GTFNHUJSQLEJTA-MSOLQXFVSA-N 2 2 344.503 1.513 20 0 EDADLP CC[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000247056920 536114378 /nfs/dbraw/zinc/11/43/78/536114378.db2.gz YVFRGBMXFDAJHK-HOCLYGCPSA-N 2 2 330.432 1.180 20 0 EDADLP CC[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000247056920 536114383 /nfs/dbraw/zinc/11/43/83/536114383.db2.gz YVFRGBMXFDAJHK-HOCLYGCPSA-N 2 2 330.432 1.180 20 0 EDADLP C[N@H+](CCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000264901759 536381321 /nfs/dbraw/zinc/38/13/21/536381321.db2.gz UYQIIMFFRMKMAA-SFHVURJKSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@@H+](CCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000264901759 536381325 /nfs/dbraw/zinc/38/13/25/536381325.db2.gz UYQIIMFFRMKMAA-SFHVURJKSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000264901759 536381326 /nfs/dbraw/zinc/38/13/26/536381326.db2.gz UYQIIMFFRMKMAA-SFHVURJKSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000264901759 536381330 /nfs/dbraw/zinc/38/13/30/536381330.db2.gz UYQIIMFFRMKMAA-SFHVURJKSA-N 2 2 346.475 1.281 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261724876 536558700 /nfs/dbraw/zinc/55/87/00/536558700.db2.gz JOONMXNQCBNAKH-MRXNPFEDSA-N 2 2 325.840 1.636 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261724876 536558705 /nfs/dbraw/zinc/55/87/05/536558705.db2.gz JOONMXNQCBNAKH-MRXNPFEDSA-N 2 2 325.840 1.636 20 0 EDADLP COCCOc1cccc(C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)c1 ZINC000353265966 536706566 /nfs/dbraw/zinc/70/65/66/536706566.db2.gz ZWVPPPUCNFFKQC-INIZCTEOSA-N 2 2 336.476 1.989 20 0 EDADLP COCCOc1cccc(C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)c1 ZINC000353265966 536706570 /nfs/dbraw/zinc/70/65/70/536706570.db2.gz ZWVPPPUCNFFKQC-INIZCTEOSA-N 2 2 336.476 1.989 20 0 EDADLP Cn1cc(CC[NH2+][C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000740877450 579387724 /nfs/dbraw/zinc/38/77/24/579387724.db2.gz OBIZVQSFYAJZPF-LJQANCHMSA-N 2 2 328.460 1.579 20 0 EDADLP Cn1cc(CC[NH2+][C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000740877450 579387726 /nfs/dbraw/zinc/38/77/26/579387726.db2.gz OBIZVQSFYAJZPF-LJQANCHMSA-N 2 2 328.460 1.579 20 0 EDADLP C[C@@H](NC(=O)CC[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742897439 579464703 /nfs/dbraw/zinc/46/47/03/579464703.db2.gz VLXVZRFYEIZAAU-OAHLLOKOSA-N 2 2 328.416 1.772 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000759575783 580009395 /nfs/dbraw/zinc/00/93/95/580009395.db2.gz SWVZIWSYUBVPGV-ARFHVFGLSA-N 2 2 335.452 1.196 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000759575783 580009396 /nfs/dbraw/zinc/00/93/96/580009396.db2.gz SWVZIWSYUBVPGV-ARFHVFGLSA-N 2 2 335.452 1.196 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000726254435 578338337 /nfs/dbraw/zinc/33/83/37/578338337.db2.gz HRKZAUUZLDKOOT-AEFFLSMTSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000726254435 578338339 /nfs/dbraw/zinc/33/83/39/578338339.db2.gz HRKZAUUZLDKOOT-AEFFLSMTSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000726254454 578338372 /nfs/dbraw/zinc/33/83/72/578338372.db2.gz HRKZAUUZLDKOOT-SJLPKXTDSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000726254454 578338373 /nfs/dbraw/zinc/33/83/73/578338373.db2.gz HRKZAUUZLDKOOT-SJLPKXTDSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)CCO1 ZINC000726257303 578339575 /nfs/dbraw/zinc/33/95/75/578339575.db2.gz OFDIHYIORYPMQN-HNNXBMFYSA-N 2 2 332.448 1.022 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)CCO1 ZINC000726257303 578339576 /nfs/dbraw/zinc/33/95/76/578339576.db2.gz OFDIHYIORYPMQN-HNNXBMFYSA-N 2 2 332.448 1.022 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cn2c1 ZINC000729500962 578578585 /nfs/dbraw/zinc/57/85/85/578578585.db2.gz CVLUMBJFVLQLKP-JKSUJKDBSA-N 2 2 343.431 1.305 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cn2c1 ZINC000729500962 578578586 /nfs/dbraw/zinc/57/85/86/578578586.db2.gz CVLUMBJFVLQLKP-JKSUJKDBSA-N 2 2 343.431 1.305 20 0 EDADLP CC(C)n1ccnc1CN1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000729929241 578604136 /nfs/dbraw/zinc/60/41/36/578604136.db2.gz KCEHYGDKZXJIEM-GOSISDBHSA-N 2 2 349.523 1.428 20 0 EDADLP CC(C)n1ccnc1CN1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000729929241 578604138 /nfs/dbraw/zinc/60/41/38/578604138.db2.gz KCEHYGDKZXJIEM-GOSISDBHSA-N 2 2 349.523 1.428 20 0 EDADLP C[NH+]1CCC(CNC(=S)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000760473137 580031530 /nfs/dbraw/zinc/03/15/30/580031530.db2.gz CRLYRXNYSRISCI-UHFFFAOYSA-N 2 2 344.488 1.573 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000732204043 578697396 /nfs/dbraw/zinc/69/73/96/578697396.db2.gz AJJIEKDWFKTLIK-UHFFFAOYSA-N 2 2 340.387 1.741 20 0 EDADLP CN(C(=O)/C=C\c1cccnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559923 578717954 /nfs/dbraw/zinc/71/79/54/578717954.db2.gz SSHKSBIVVACMAL-XFHJGTJQSA-N 2 2 328.460 1.722 20 0 EDADLP CN(C(=O)/C=C\c1cccnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559923 578717956 /nfs/dbraw/zinc/71/79/56/578717956.db2.gz SSHKSBIVVACMAL-XFHJGTJQSA-N 2 2 328.460 1.722 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NCC[NH+]2CCSCC2)c1C ZINC000732887888 578733917 /nfs/dbraw/zinc/73/39/17/578733917.db2.gz PUJPZXADCPAFMJ-UHFFFAOYSA-N 2 2 338.477 1.555 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000735561403 578898773 /nfs/dbraw/zinc/89/87/73/578898773.db2.gz JUVFSGUTQUEYBZ-STQMWFEESA-N 2 2 343.435 1.077 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000735561403 578898775 /nfs/dbraw/zinc/89/87/75/578898775.db2.gz JUVFSGUTQUEYBZ-STQMWFEESA-N 2 2 343.435 1.077 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[C@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000761101431 580048160 /nfs/dbraw/zinc/04/81/60/580048160.db2.gz XLKZXICHWQJMAL-MAUKXSAKSA-N 2 2 329.444 1.229 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[C@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000761101431 580048161 /nfs/dbraw/zinc/04/81/61/580048161.db2.gz XLKZXICHWQJMAL-MAUKXSAKSA-N 2 2 329.444 1.229 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC[N@@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000744426609 579510460 /nfs/dbraw/zinc/51/04/60/579510460.db2.gz NAMCAHMDFWBHFC-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC[N@H+]1CCC[C@@H]1C)[NH+]1CCOCC1 ZINC000744426609 579510461 /nfs/dbraw/zinc/51/04/61/579510461.db2.gz NAMCAHMDFWBHFC-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000745789929 579562467 /nfs/dbraw/zinc/56/24/67/579562467.db2.gz VOGNDRBJBZBJPW-DZGCQCFKSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000745789929 579562468 /nfs/dbraw/zinc/56/24/68/579562468.db2.gz VOGNDRBJBZBJPW-DZGCQCFKSA-N 2 2 328.420 1.549 20 0 EDADLP C[N@H+](CCCN1CCOC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000746458084 579595274 /nfs/dbraw/zinc/59/52/74/579595274.db2.gz HBFPCPAZSMEJFF-UHFFFAOYSA-N 2 2 346.475 1.863 20 0 EDADLP C[N@@H+](CCCN1CCOC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000746458084 579595275 /nfs/dbraw/zinc/59/52/75/579595275.db2.gz HBFPCPAZSMEJFF-UHFFFAOYSA-N 2 2 346.475 1.863 20 0 EDADLP CCC[NH+]1CCC([NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)CC1 ZINC000777573317 580445401 /nfs/dbraw/zinc/44/54/01/580445401.db2.gz VAZAFYBTOYRBFI-AWEZNQCLSA-N 2 2 334.386 1.634 20 0 EDADLP c1cn(-c2ccc(CN3CCC[N@@H+](C[C@@H]4CCCO4)CC3)cn2)c[nH+]1 ZINC000750045182 579749587 /nfs/dbraw/zinc/74/95/87/579749587.db2.gz GJTAHTFAIUUGSV-SFHVURJKSA-N 2 2 341.459 1.954 20 0 EDADLP c1cn(-c2ccc(CN3CCC[N@H+](C[C@@H]4CCCO4)CC3)cn2)c[nH+]1 ZINC000750045182 579749588 /nfs/dbraw/zinc/74/95/88/579749588.db2.gz GJTAHTFAIUUGSV-SFHVURJKSA-N 2 2 341.459 1.954 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CSCCS1 ZINC000751962740 579830633 /nfs/dbraw/zinc/83/06/33/579830633.db2.gz GYTJMZWEWVKEJV-HNNXBMFYSA-N 2 2 345.578 1.710 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CSCCS1 ZINC000751962740 579830635 /nfs/dbraw/zinc/83/06/35/579830635.db2.gz GYTJMZWEWVKEJV-HNNXBMFYSA-N 2 2 345.578 1.710 20 0 EDADLP Cn1cc([C@H](O)CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cn1 ZINC000752638241 579862819 /nfs/dbraw/zinc/86/28/19/579862819.db2.gz LPLBXLQZSQKLFI-CQSZACIVSA-N 2 2 336.359 1.090 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000755123242 579920772 /nfs/dbraw/zinc/92/07/72/579920772.db2.gz BRRNCBUJDVHMBT-ZDUSSCGKSA-N 2 2 339.509 1.559 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000768499567 580214822 /nfs/dbraw/zinc/21/48/22/580214822.db2.gz BBSFYCUWVPUYON-XYJFISCASA-N 2 2 328.460 1.771 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000768499567 580214823 /nfs/dbraw/zinc/21/48/23/580214823.db2.gz BBSFYCUWVPUYON-XYJFISCASA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000768499567 580214824 /nfs/dbraw/zinc/21/48/24/580214824.db2.gz BBSFYCUWVPUYON-XYJFISCASA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000768499567 580214825 /nfs/dbraw/zinc/21/48/25/580214825.db2.gz BBSFYCUWVPUYON-XYJFISCASA-N 2 2 328.460 1.771 20 0 EDADLP CCCn1c(CO)nn(C[NH+]2CCC(C[NH+](C)C)CC2)c1=S ZINC000769833065 580246486 /nfs/dbraw/zinc/24/64/86/580246486.db2.gz ISZNGYZXMUSTHY-UHFFFAOYSA-N 2 2 327.498 1.547 20 0 EDADLP COC(=O)c1cccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000769920055 580248523 /nfs/dbraw/zinc/24/85/23/580248523.db2.gz VUIZIHSBKNXJFL-UHFFFAOYSA-N 2 2 346.475 1.863 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)c2cccc3[nH+]ccn32)C[C@@H](C)O1 ZINC000770426255 580260195 /nfs/dbraw/zinc/26/01/95/580260195.db2.gz NJYKZXGACOYEHB-HUUCEWRRSA-N 2 2 330.432 1.954 20 0 EDADLP C[NH+](C)CCOC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1 ZINC000771618121 580290313 /nfs/dbraw/zinc/29/03/13/580290313.db2.gz GQMJJZCXKULBBJ-UHFFFAOYSA-N 2 2 335.423 1.782 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCCCC1 ZINC000774153366 580355264 /nfs/dbraw/zinc/35/52/64/580355264.db2.gz NNIPWLYIUGTBHT-CYBMUJFWSA-N 2 2 329.404 1.263 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)Cc2[nH+]ccn2C)cn1 ZINC000775422907 580390453 /nfs/dbraw/zinc/39/04/53/580390453.db2.gz QOUSTLMRXVUSQI-UHFFFAOYSA-N 2 2 339.403 1.651 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000775973245 580405447 /nfs/dbraw/zinc/40/54/47/580405447.db2.gz BSQQTUDTNVIQGB-GJZGRUSLSA-N 2 2 338.452 1.887 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000775973245 580405448 /nfs/dbraw/zinc/40/54/48/580405448.db2.gz BSQQTUDTNVIQGB-GJZGRUSLSA-N 2 2 338.452 1.887 20 0 EDADLP CCC1(CC)[C@@H]([NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)C[C@@H]1OC ZINC000776159696 580409973 /nfs/dbraw/zinc/40/99/73/580409973.db2.gz ZMLXVNAEFHHTEC-HOTGVXAUSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000779478225 580486791 /nfs/dbraw/zinc/48/67/91/580486791.db2.gz NBNHJSMSBQLNPZ-OAHLLOKOSA-N 2 2 339.480 1.507 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000779478225 580486792 /nfs/dbraw/zinc/48/67/92/580486792.db2.gz NBNHJSMSBQLNPZ-OAHLLOKOSA-N 2 2 339.480 1.507 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC(=O)N(C)C[C@@H]3C)c2cc1C ZINC000782585018 580578908 /nfs/dbraw/zinc/57/89/08/580578908.db2.gz LVEQDPGXEZLBRP-GJZGRUSLSA-N 2 2 330.432 1.177 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC(=O)N(C)C[C@@H]3C)c2cc1C ZINC000782585018 580578909 /nfs/dbraw/zinc/57/89/09/580578909.db2.gz LVEQDPGXEZLBRP-GJZGRUSLSA-N 2 2 330.432 1.177 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788972439 580734033 /nfs/dbraw/zinc/73/40/33/580734033.db2.gz VSMWAMHGXBZJIX-OIISXLGYSA-N 2 2 346.431 1.108 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788972439 580734034 /nfs/dbraw/zinc/73/40/34/580734034.db2.gz VSMWAMHGXBZJIX-OIISXLGYSA-N 2 2 346.431 1.108 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525703 580748608 /nfs/dbraw/zinc/74/86/08/580748608.db2.gz MAKUBLBUYBOIHV-ZWKOTPCHSA-N 2 2 331.460 1.176 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789525703 580748609 /nfs/dbraw/zinc/74/86/09/580748609.db2.gz MAKUBLBUYBOIHV-ZWKOTPCHSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](SCC[NH+]1CCOCC1)[C@H](C)SCC[NH+]1CCOCC1 ZINC000790281649 580765999 /nfs/dbraw/zinc/76/59/99/580765999.db2.gz JDDRBOWXZQZRGD-IYBDPMFKSA-N 2 2 348.578 1.894 20 0 EDADLP NC(=O)C1([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000792871677 580829887 /nfs/dbraw/zinc/82/98/87/580829887.db2.gz LABWXZNJYUPSBF-KRWDZBQOSA-N 2 2 331.460 1.665 20 0 EDADLP NC(=O)C1([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000792871677 580829888 /nfs/dbraw/zinc/82/98/88/580829888.db2.gz LABWXZNJYUPSBF-KRWDZBQOSA-N 2 2 331.460 1.665 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000794242822 580882724 /nfs/dbraw/zinc/88/27/24/580882724.db2.gz MGWWXOWPCLTMCO-KGLIPLIRSA-N 2 2 335.452 1.375 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000794242822 580882725 /nfs/dbraw/zinc/88/27/25/580882725.db2.gz MGWWXOWPCLTMCO-KGLIPLIRSA-N 2 2 335.452 1.375 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000891826342 590640215 /nfs/dbraw/zinc/64/02/15/590640215.db2.gz PNUXZRXSWSKMGV-HNNXBMFYSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000891826342 590640217 /nfs/dbraw/zinc/64/02/17/590640217.db2.gz PNUXZRXSWSKMGV-HNNXBMFYSA-N 2 2 331.464 1.823 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@H]2C1 ZINC000891829703 590640775 /nfs/dbraw/zinc/64/07/75/590640775.db2.gz PMVLJLWWPKDLFU-CVEARBPZSA-N 2 2 329.448 1.527 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@H]2C1 ZINC000891829703 590640779 /nfs/dbraw/zinc/64/07/79/590640779.db2.gz PMVLJLWWPKDLFU-CVEARBPZSA-N 2 2 329.448 1.527 20 0 EDADLP C[C@@H]1CN(c2ccc(CNc3cc[nH+]cc3CO)c[nH+]2)C[C@H](C)O1 ZINC000891839850 590646967 /nfs/dbraw/zinc/64/69/67/590646967.db2.gz MBWWSXABZNCNQJ-OKILXGFUSA-N 2 2 328.416 1.617 20 0 EDADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000891908478 590683164 /nfs/dbraw/zinc/68/31/64/590683164.db2.gz XXPCTXRDFXOIEU-HUUCEWRRSA-N 2 2 325.416 1.281 20 0 EDADLP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000891908478 590683166 /nfs/dbraw/zinc/68/31/66/590683166.db2.gz XXPCTXRDFXOIEU-HUUCEWRRSA-N 2 2 325.416 1.281 20 0 EDADLP CN1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)Cc2ccc[nH+]c21 ZINC000892006742 590740345 /nfs/dbraw/zinc/74/03/45/590740345.db2.gz MEWNZYKTTWVFKU-MRXNPFEDSA-N 2 2 331.464 1.951 20 0 EDADLP Cc1ccc(CC[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000893355229 590800455 /nfs/dbraw/zinc/80/04/55/590800455.db2.gz VQAAMZNEQZJGAL-LJQANCHMSA-N 2 2 345.487 1.369 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC[N@H+]3CCC[C@H]3C)[nH+]c12 ZINC000893382118 590820725 /nfs/dbraw/zinc/82/07/25/590820725.db2.gz MJDUTWBVXZKGGW-OAHLLOKOSA-N 2 2 329.448 1.969 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC[N@@H+]3CCC[C@H]3C)[nH+]c12 ZINC000893382118 590820727 /nfs/dbraw/zinc/82/07/27/590820727.db2.gz MJDUTWBVXZKGGW-OAHLLOKOSA-N 2 2 329.448 1.969 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000890880663 590829375 /nfs/dbraw/zinc/82/93/75/590829375.db2.gz KSGAQDQKTAHKAP-UHFFFAOYSA-N 2 2 348.491 1.574 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)cn21 ZINC000892213834 590866611 /nfs/dbraw/zinc/86/66/11/590866611.db2.gz KWEFUYGYLLFWPL-CRAIPNDOSA-N 2 2 327.432 1.769 20 0 EDADLP CCN(C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000892282900 590911878 /nfs/dbraw/zinc/91/18/78/590911878.db2.gz OVFDRUMVNONNMM-CQSZACIVSA-N 2 2 334.468 1.714 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000892281978 590912132 /nfs/dbraw/zinc/91/21/32/590912132.db2.gz RSTTWTXTKLNLTF-NVXWUHKLSA-N 2 2 325.416 1.718 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)[C@@H]2C1 ZINC000892281978 590912138 /nfs/dbraw/zinc/91/21/38/590912138.db2.gz RSTTWTXTKLNLTF-NVXWUHKLSA-N 2 2 325.416 1.718 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892341167 590969189 /nfs/dbraw/zinc/96/91/89/590969189.db2.gz DDTYAVUSWKHHMH-UHFFFAOYSA-N 2 2 327.432 1.761 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc[nH+]1 ZINC000892439604 591028496 /nfs/dbraw/zinc/02/84/96/591028496.db2.gz QMTBIMPRPOUNKX-SHTZXODSSA-N 2 2 332.452 1.134 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCc1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000891333996 591048706 /nfs/dbraw/zinc/04/87/06/591048706.db2.gz YECRICAWCVQDRU-WMLDXEAASA-N 2 2 326.404 1.018 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)[C@@H](C)C[NH2+]1 ZINC000892513534 591054289 /nfs/dbraw/zinc/05/42/89/591054289.db2.gz CCVMWFXPBJCGGU-KBPBESRZSA-N 2 2 349.504 1.527 20 0 EDADLP [NH3+]C1(CO)CCN(c2[nH+]cnc3c2cnn3-c2ccccc2F)CC1 ZINC000892531165 591060674 /nfs/dbraw/zinc/06/06/74/591060674.db2.gz KSPRNXWUDAYBGZ-UHFFFAOYSA-N 2 2 342.378 1.245 20 0 EDADLP CCn1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000892553115 591069224 /nfs/dbraw/zinc/06/92/24/591069224.db2.gz IBJZDIHKYLRILS-IBGZPJMESA-N 2 2 342.491 1.766 20 0 EDADLP CCn1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000892553115 591069226 /nfs/dbraw/zinc/06/92/26/591069226.db2.gz IBJZDIHKYLRILS-IBGZPJMESA-N 2 2 342.491 1.766 20 0 EDADLP CCn1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC000892553120 591069358 /nfs/dbraw/zinc/06/93/58/591069358.db2.gz IBJZDIHKYLRILS-LJQANCHMSA-N 2 2 342.491 1.766 20 0 EDADLP CCn1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC000892553120 591069363 /nfs/dbraw/zinc/06/93/63/591069363.db2.gz IBJZDIHKYLRILS-LJQANCHMSA-N 2 2 342.491 1.766 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000892563371 591073110 /nfs/dbraw/zinc/07/31/10/591073110.db2.gz QWNWIPMYTBXELW-MRXNPFEDSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000892563371 591073112 /nfs/dbraw/zinc/07/31/12/591073112.db2.gz QWNWIPMYTBXELW-MRXNPFEDSA-N 2 2 342.447 1.798 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)CC2)CC1 ZINC000891459550 591078075 /nfs/dbraw/zinc/07/80/75/591078075.db2.gz AXGWLPXJEAWJEY-ROUUACIJSA-N 2 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000891463438 591080058 /nfs/dbraw/zinc/08/00/58/591080058.db2.gz XUGZMZLHJQJJBZ-GOEBONIOSA-N 3 2 337.512 1.114 20 0 EDADLP Cc1cc(N)nc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)[nH+]1 ZINC000892591364 591084257 /nfs/dbraw/zinc/08/42/57/591084257.db2.gz GCFIRXYMFODLDO-CQSZACIVSA-N 2 2 327.436 1.385 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H]3C[NH3+])C2)c1 ZINC000892608469 591092814 /nfs/dbraw/zinc/09/28/14/591092814.db2.gz GFRADWBXABAPSA-QZTJIDSGSA-N 2 2 346.475 1.329 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CCC[C@@H]3C[NH3+])C2)c1 ZINC000892608469 591092818 /nfs/dbraw/zinc/09/28/18/591092818.db2.gz GFRADWBXABAPSA-QZTJIDSGSA-N 2 2 346.475 1.329 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891503979 591096988 /nfs/dbraw/zinc/09/69/88/591096988.db2.gz KFNGXPPGZMRIGQ-GHMZBOCLSA-N 2 2 331.342 1.481 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)nc[nH+]1 ZINC000893827439 591113181 /nfs/dbraw/zinc/11/31/81/591113181.db2.gz HRVHTBNKJPYXDW-INIZCTEOSA-N 2 2 341.459 1.980 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC([N@@H+](C)Cc3ccccc3)C2)nc[nH+]1 ZINC000893827439 591113183 /nfs/dbraw/zinc/11/31/83/591113183.db2.gz HRVHTBNKJPYXDW-INIZCTEOSA-N 2 2 341.459 1.980 20 0 EDADLP CC[C@H](CO)Nc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc[nH+]1 ZINC000891675164 591180588 /nfs/dbraw/zinc/18/05/88/591180588.db2.gz NIHXICKUBWXACX-RBSFLKMASA-N 2 2 337.468 1.571 20 0 EDADLP CC[C@H](CO)Nc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)[nH+]cn1 ZINC000891675164 591180589 /nfs/dbraw/zinc/18/05/89/591180589.db2.gz NIHXICKUBWXACX-RBSFLKMASA-N 2 2 337.468 1.571 20 0 EDADLP COCCC1(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]CC1 ZINC000891707568 591194476 /nfs/dbraw/zinc/19/44/76/591194476.db2.gz CLXJFVRHWOCMFP-OAHLLOKOSA-N 2 2 347.463 1.118 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000892837968 591200377 /nfs/dbraw/zinc/20/03/77/591200377.db2.gz JFDUORAJMSXBBX-PMPSAXMXSA-N 2 2 328.501 1.371 20 0 EDADLP CCc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)nc(CC)[nH+]1 ZINC000892883843 591216337 /nfs/dbraw/zinc/21/63/37/591216337.db2.gz PMMVXVPDHQCWAR-OAHLLOKOSA-N 2 2 345.491 1.734 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(c3nccn4c[nH+]cc34)CC2)CC1 ZINC000892949558 591236577 /nfs/dbraw/zinc/23/65/77/591236577.db2.gz YVUNZJPMDPGOJU-UHFFFAOYSA-N 2 2 328.464 1.724 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c[nH+]1 ZINC000895668635 591247231 /nfs/dbraw/zinc/24/72/31/591247231.db2.gz POBLTBBGZBAIAH-INIZCTEOSA-N 2 2 334.464 1.640 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c[nH+]1 ZINC000895668635 591247235 /nfs/dbraw/zinc/24/72/35/591247235.db2.gz POBLTBBGZBAIAH-INIZCTEOSA-N 2 2 334.464 1.640 20 0 EDADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CS1 ZINC000895686416 591248951 /nfs/dbraw/zinc/24/89/51/591248951.db2.gz ROYMRQSLRUSYJT-BZSNNMDCSA-N 2 2 341.565 1.903 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC(F)(F)C1 ZINC000895685424 591252616 /nfs/dbraw/zinc/25/26/16/591252616.db2.gz LSMIYOAPHKOWQZ-HOCLYGCPSA-N 2 2 331.451 1.806 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4C)C2)CC1 ZINC000893025261 591258579 /nfs/dbraw/zinc/25/85/79/591258579.db2.gz YZHMRXSIIXOERU-JQHSSLGASA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4C)C2)CC1 ZINC000893025261 591258582 /nfs/dbraw/zinc/25/85/82/591258582.db2.gz YZHMRXSIIXOERU-JQHSSLGASA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)C2)CC1 ZINC000893025261 591258583 /nfs/dbraw/zinc/25/85/83/591258583.db2.gz YZHMRXSIIXOERU-JQHSSLGASA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)C2)CC1 ZINC000893025261 591258586 /nfs/dbraw/zinc/25/85/86/591258586.db2.gz YZHMRXSIIXOERU-JQHSSLGASA-N 3 2 349.523 1.033 20 0 EDADLP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000895770884 591269539 /nfs/dbraw/zinc/26/95/39/591269539.db2.gz HBDPPKZNGBCORF-GOSISDBHSA-N 2 2 343.471 1.536 20 0 EDADLP CCO[C@H](CNc1nc(NCCO)c2ccccc2[nH+]1)C[NH+](C)C ZINC000896117715 591349827 /nfs/dbraw/zinc/34/98/27/591349827.db2.gz PCODLDLKLWPJBH-CYBMUJFWSA-N 2 2 333.436 1.413 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000896203652 591383584 /nfs/dbraw/zinc/38/35/84/591383584.db2.gz FTMLVXMTBQXICS-YJBOKZPZSA-N 2 2 349.475 1.259 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898503630 591390287 /nfs/dbraw/zinc/39/02/87/591390287.db2.gz LQMMDDAKVGHDFP-ZACQAIPSSA-N 2 2 341.471 1.283 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898503630 591390290 /nfs/dbraw/zinc/39/02/90/591390290.db2.gz LQMMDDAKVGHDFP-ZACQAIPSSA-N 2 2 341.471 1.283 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897434806 591417587 /nfs/dbraw/zinc/41/75/87/591417587.db2.gz BRZFKSCUWLGSGY-DLBZAZTESA-N 2 2 345.491 1.812 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897434806 591417591 /nfs/dbraw/zinc/41/75/91/591417591.db2.gz BRZFKSCUWLGSGY-DLBZAZTESA-N 2 2 345.491 1.812 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCCNc2cccc[nH+]2)[nH]n1 ZINC000896340810 591425508 /nfs/dbraw/zinc/42/55/08/591425508.db2.gz KPCHELODKGLGHV-HNNXBMFYSA-N 2 2 328.420 1.803 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCCNc2cccc[nH+]2)[nH]n1 ZINC000896340810 591425509 /nfs/dbraw/zinc/42/55/09/591425509.db2.gz KPCHELODKGLGHV-HNNXBMFYSA-N 2 2 328.420 1.803 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[N@@H+]3CCC(C)(C)C3)CC2)cc[nH+]1 ZINC000898592581 591427069 /nfs/dbraw/zinc/42/70/69/591427069.db2.gz BONDJUYKBQHHEV-UHFFFAOYSA-N 2 2 346.479 1.349 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC[N@H+]3CCC(C)(C)C3)CC2)cc[nH+]1 ZINC000898592581 591427070 /nfs/dbraw/zinc/42/70/70/591427070.db2.gz BONDJUYKBQHHEV-UHFFFAOYSA-N 2 2 346.479 1.349 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)Cc2ccccc21 ZINC000726957163 591464902 /nfs/dbraw/zinc/46/49/02/591464902.db2.gz KPFDMMZQNAJIQI-MRXNPFEDSA-N 2 2 345.487 1.833 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)Cc2ccccc21 ZINC000726957163 591464906 /nfs/dbraw/zinc/46/49/06/591464906.db2.gz KPFDMMZQNAJIQI-MRXNPFEDSA-N 2 2 345.487 1.833 20 0 EDADLP C[C@@]1(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)COC(=O)N1 ZINC000896466900 591470845 /nfs/dbraw/zinc/47/08/45/591470845.db2.gz OKXGOODBDSCDHR-SFHVURJKSA-N 2 2 341.415 1.978 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000897474211 591477628 /nfs/dbraw/zinc/47/76/28/591477628.db2.gz NPWDXCHFGXQRQO-MRXNPFEDSA-N 2 2 331.464 1.393 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000897474211 591477630 /nfs/dbraw/zinc/47/76/30/591477630.db2.gz NPWDXCHFGXQRQO-MRXNPFEDSA-N 2 2 331.464 1.393 20 0 EDADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898720625 591484471 /nfs/dbraw/zinc/48/44/71/591484471.db2.gz MMPYYIYBGDTENM-VHSXEESVSA-N 2 2 325.214 1.230 20 0 EDADLP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896539366 591501965 /nfs/dbraw/zinc/50/19/65/591501965.db2.gz NGYOBAHJJIUYSF-QAPCUYQASA-N 2 2 332.492 1.155 20 0 EDADLP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896539366 591501967 /nfs/dbraw/zinc/50/19/67/591501967.db2.gz NGYOBAHJJIUYSF-QAPCUYQASA-N 2 2 332.492 1.155 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc[nH+]1 ZINC000895125061 591602559 /nfs/dbraw/zinc/60/25/59/591602559.db2.gz QQCUNRFNCWIDEP-HOCLYGCPSA-N 2 2 349.479 1.397 20 0 EDADLP Cc1[nH+]ccn1Cc1nc(-c2ccnc(N3CC[NH+](C)CC3)c2)no1 ZINC000896772377 591608893 /nfs/dbraw/zinc/60/88/93/591608893.db2.gz AOFOWGUIEPXTQM-UHFFFAOYSA-N 2 2 339.403 1.437 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC/C=C\Cl)CC2)CC1 ZINC000899038641 591650506 /nfs/dbraw/zinc/65/05/06/591650506.db2.gz QHLFAKLLNVFBJZ-CLTKARDFSA-N 2 2 328.888 1.941 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC/C=C\Cl)CC2)CC1 ZINC000899038641 591650509 /nfs/dbraw/zinc/65/05/09/591650509.db2.gz QHLFAKLLNVFBJZ-CLTKARDFSA-N 2 2 328.888 1.941 20 0 EDADLP C[C@@H](CC[NH2+]Cc1cn(C)nc1I)[NH+](C)C ZINC000895290626 591704261 /nfs/dbraw/zinc/70/42/61/591704261.db2.gz OGRSBTNECLEFAY-VIFPVBQESA-N 2 2 336.221 1.455 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898118750 591788051 /nfs/dbraw/zinc/78/80/51/591788051.db2.gz UOJHDWCCABUGEB-UHFFFAOYSA-N 2 2 328.416 1.301 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895522951 591792775 /nfs/dbraw/zinc/79/27/75/591792775.db2.gz ZAEPANDLYZHCKA-UHFFFAOYSA-N 2 2 342.443 1.572 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000899958848 591844144 /nfs/dbraw/zinc/84/41/44/591844144.db2.gz YVAIGXSUGRICEX-VKJFTORMSA-N 2 2 335.448 1.378 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000899958848 591844145 /nfs/dbraw/zinc/84/41/45/591844145.db2.gz YVAIGXSUGRICEX-VKJFTORMSA-N 2 2 335.448 1.378 20 0 EDADLP CC1([NH+]2CCC2)CCC(NC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000899578038 591854455 /nfs/dbraw/zinc/85/44/55/591854455.db2.gz HAYGDVXKVOOSCA-UHFFFAOYSA-N 2 2 340.537 1.190 20 0 EDADLP CC1(O)CCN(c2cc(N[C@@H]3CC[NH2+]C4(CCC4)C3)[nH+]cn2)CC1 ZINC000900021991 591871426 /nfs/dbraw/zinc/87/14/26/591871426.db2.gz OTFPPUGDKFJJLE-CQSZACIVSA-N 2 2 331.464 1.914 20 0 EDADLP CC1(O)CCN(c2cc(N[C@@H]3CC[NH2+]C4(CCC4)C3)nc[nH+]2)CC1 ZINC000900021991 591871429 /nfs/dbraw/zinc/87/14/29/591871429.db2.gz OTFPPUGDKFJJLE-CQSZACIVSA-N 2 2 331.464 1.914 20 0 EDADLP CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000898358995 591889507 /nfs/dbraw/zinc/88/95/07/591889507.db2.gz LHLYEHPNZFUTBV-DOTOQJQBSA-N 2 2 344.415 1.411 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000900197735 591937801 /nfs/dbraw/zinc/93/78/01/591937801.db2.gz LDMSKWWYXBVNHV-OAHLLOKOSA-N 2 2 348.447 1.039 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000900197735 591937804 /nfs/dbraw/zinc/93/78/04/591937804.db2.gz LDMSKWWYXBVNHV-OAHLLOKOSA-N 2 2 348.447 1.039 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000902197386 591942921 /nfs/dbraw/zinc/94/29/21/591942921.db2.gz WYCBABBNOGPILV-DRMAHVMPSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000902197386 591942923 /nfs/dbraw/zinc/94/29/23/591942923.db2.gz WYCBABBNOGPILV-DRMAHVMPSA-N 2 2 342.443 1.668 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000900223139 591954069 /nfs/dbraw/zinc/95/40/69/591954069.db2.gz PMOYJSDKUSQJSY-IBGZPJMESA-N 2 2 346.475 1.535 20 0 EDADLP COc1cccc(C(N)=[NH+]OCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000902267534 591965794 /nfs/dbraw/zinc/96/57/94/591965794.db2.gz BUSAWPSIUVBENS-UHFFFAOYSA-N 2 2 348.447 1.531 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000902375112 591982903 /nfs/dbraw/zinc/98/29/03/591982903.db2.gz AWBVADXXMBAUOT-BHYGNILZSA-N 2 2 340.427 1.501 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000902375112 591982905 /nfs/dbraw/zinc/98/29/05/591982905.db2.gz AWBVADXXMBAUOT-BHYGNILZSA-N 2 2 340.427 1.501 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000900341049 591989504 /nfs/dbraw/zinc/98/95/04/591989504.db2.gz YRZNZWHFXCQHSE-OAHLLOKOSA-N 2 2 332.452 1.486 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000900348138 591991788 /nfs/dbraw/zinc/99/17/88/591991788.db2.gz PHUQCDIEBXGXGR-UHFFFAOYSA-N 2 2 344.459 1.497 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000900348138 591991791 /nfs/dbraw/zinc/99/17/91/591991791.db2.gz PHUQCDIEBXGXGR-UHFFFAOYSA-N 2 2 344.459 1.497 20 0 EDADLP Brc1cccc2c(N3CC[NH2+]CC[NH2+]CC3)cc[nH+]c12 ZINC000900369050 591998798 /nfs/dbraw/zinc/99/87/98/591998798.db2.gz DXLDRDWQYNGNJV-UHFFFAOYSA-N 3 2 335.249 1.997 20 0 EDADLP Brc1cccc2c(N3CC[NH2+]CC[NH2+]CC3)ccnc12 ZINC000900369050 591998801 /nfs/dbraw/zinc/99/88/01/591998801.db2.gz DXLDRDWQYNGNJV-UHFFFAOYSA-N 2 2 335.249 1.997 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000900370512 591999118 /nfs/dbraw/zinc/99/91/18/591999118.db2.gz GVFUGYOHWOWBMN-DYVFJYSZSA-N 2 2 332.379 1.083 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000900370512 591999119 /nfs/dbraw/zinc/99/91/19/591999119.db2.gz GVFUGYOHWOWBMN-DYVFJYSZSA-N 2 2 332.379 1.083 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CC[C@]4(C3)CCCC[NH2+]4)nc[nH+]2)C1 ZINC000900401565 592008400 /nfs/dbraw/zinc/00/84/00/592008400.db2.gz GMWHDPTXYBWXBI-YJBOKZPZSA-N 2 2 331.464 1.408 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000900477339 592029312 /nfs/dbraw/zinc/02/93/12/592029312.db2.gz CFSIWMYJBJKQIH-LIRRHRJNSA-N 2 2 348.491 1.458 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCO1 ZINC000900487162 592031827 /nfs/dbraw/zinc/03/18/27/592031827.db2.gz XVNPSYWTYAFEEJ-AWEZNQCLSA-N 2 2 330.432 1.741 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H](O)c3cccc(F)c3)nn2)CC1 ZINC000900582448 592058457 /nfs/dbraw/zinc/05/84/57/592058457.db2.gz NKNFBQAXCSNOPB-KRWDZBQOSA-N 2 2 333.411 1.335 20 0 EDADLP CC[C@@](O)(Cn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1)C(F)(F)F ZINC000900583037 592058802 /nfs/dbraw/zinc/05/88/02/592058802.db2.gz MYJXOAYYNHXSDL-CYBMUJFWSA-N 2 2 335.374 1.165 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)cs1 ZINC000900594641 592063000 /nfs/dbraw/zinc/06/30/00/592063000.db2.gz QEFANYJXQSBGIU-UHFFFAOYSA-N 2 2 334.489 1.582 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)cs1 ZINC000900594641 592063004 /nfs/dbraw/zinc/06/30/04/592063004.db2.gz QEFANYJXQSBGIU-UHFFFAOYSA-N 2 2 334.489 1.582 20 0 EDADLP CN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900669030 592086741 /nfs/dbraw/zinc/08/67/41/592086741.db2.gz HJPWVUJYLOOLHE-QYZOEREBSA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900669030 592086744 /nfs/dbraw/zinc/08/67/44/592086744.db2.gz HJPWVUJYLOOLHE-QYZOEREBSA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000900669030 592086747 /nfs/dbraw/zinc/08/67/47/592086747.db2.gz HJPWVUJYLOOLHE-QYZOEREBSA-N 3 2 348.535 1.630 20 0 EDADLP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000900669030 592086749 /nfs/dbraw/zinc/08/67/49/592086749.db2.gz HJPWVUJYLOOLHE-QYZOEREBSA-N 3 2 348.535 1.630 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000900693241 592097054 /nfs/dbraw/zinc/09/70/54/592097054.db2.gz PPMLWNWENWEUHB-UHFFFAOYSA-N 2 2 347.463 1.158 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000900693241 592097057 /nfs/dbraw/zinc/09/70/57/592097057.db2.gz PPMLWNWENWEUHB-UHFFFAOYSA-N 2 2 347.463 1.158 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCO[C@@]34CCOC4)[nH+]c2)CC1 ZINC000903139837 592126185 /nfs/dbraw/zinc/12/61/85/592126185.db2.gz VCHAZTZKVLDUGL-IEBWSBKVSA-N 2 2 346.475 1.972 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178890 592131262 /nfs/dbraw/zinc/13/12/62/592131262.db2.gz ZXAIXMYXEUOYGY-LSDHHAIUSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178890 592131263 /nfs/dbraw/zinc/13/12/63/592131263.db2.gz ZXAIXMYXEUOYGY-LSDHHAIUSA-N 2 2 341.496 1.869 20 0 EDADLP C([C@@H]1CCCO1)[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000903269788 592149092 /nfs/dbraw/zinc/14/90/92/592149092.db2.gz BORJBRAKOVAITE-KSZLIROESA-N 2 2 339.549 1.799 20 0 EDADLP C([C@@H]1CCCO1)[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000903269788 592149094 /nfs/dbraw/zinc/14/90/94/592149094.db2.gz BORJBRAKOVAITE-KSZLIROESA-N 2 2 339.549 1.799 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000903443812 592173163 /nfs/dbraw/zinc/17/31/63/592173163.db2.gz IMQPINUFYPMNDC-APWZRJJASA-N 2 2 328.460 1.581 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000903443812 592173164 /nfs/dbraw/zinc/17/31/64/592173164.db2.gz IMQPINUFYPMNDC-APWZRJJASA-N 2 2 328.460 1.581 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)NC(=O)Nc1ccccc1F ZINC000903468861 592174690 /nfs/dbraw/zinc/17/46/90/592174690.db2.gz OXJHFEHTPNWMOJ-FZMZJTMJSA-N 2 2 334.395 1.737 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470848 592175118 /nfs/dbraw/zinc/17/51/18/592175118.db2.gz OCRJHVJEMWDKOT-LRDDRELGSA-N 2 2 337.414 1.886 20 0 EDADLP C(c1nc(C2CCOCC2)no1)C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903474982 592176183 /nfs/dbraw/zinc/17/61/83/592176183.db2.gz XQBHWHHEJQKKRF-MRXNPFEDSA-N 2 2 334.464 1.970 20 0 EDADLP O=C1[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCN1C1CCC1 ZINC000903505489 592181894 /nfs/dbraw/zinc/18/18/94/592181894.db2.gz DGDPGIGPMWTACI-FGTMMUONSA-N 2 2 332.492 1.040 20 0 EDADLP O=C1[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCN1C1CCC1 ZINC000903505489 592181895 /nfs/dbraw/zinc/18/18/95/592181895.db2.gz DGDPGIGPMWTACI-FGTMMUONSA-N 2 2 332.492 1.040 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)/C=C\c2ccccc2Cl)CC1 ZINC000903564248 592211758 /nfs/dbraw/zinc/21/17/58/592211758.db2.gz RYVCAKYTHHSNFB-GHXNOFRVSA-N 2 2 343.880 1.653 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]2[NH3+])c1 ZINC000904495869 592267564 /nfs/dbraw/zinc/26/75/64/592267564.db2.gz RBOCXPVHZRNIPK-HZPDHXFCSA-N 2 2 340.406 1.876 20 0 EDADLP CC(C)([NH3+])c1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000904601166 592293365 /nfs/dbraw/zinc/29/33/65/592293365.db2.gz CESXAGAWWMQDLL-MRXNPFEDSA-N 2 2 332.448 1.819 20 0 EDADLP c1nc2c(c(N3CCOCC3)n1)C[N@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903736186 592298865 /nfs/dbraw/zinc/29/88/65/592298865.db2.gz HPFRAAXUPSALIV-HNNXBMFYSA-N 2 2 331.464 1.061 20 0 EDADLP c1nc2c(c(N3CCOCC3)n1)C[N@@H+](C[C@H]1CCCC[NH2+]C1)CC2 ZINC000903736186 592298868 /nfs/dbraw/zinc/29/88/68/592298868.db2.gz HPFRAAXUPSALIV-HNNXBMFYSA-N 2 2 331.464 1.061 20 0 EDADLP COc1ccccc1[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903777733 592319543 /nfs/dbraw/zinc/31/95/43/592319543.db2.gz DCAJXRQJOYQQQJ-SNRMKQJTSA-N 2 2 332.444 1.837 20 0 EDADLP COc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903777733 592319546 /nfs/dbraw/zinc/31/95/46/592319546.db2.gz DCAJXRQJOYQQQJ-SNRMKQJTSA-N 2 2 332.444 1.837 20 0 EDADLP C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788107 592322859 /nfs/dbraw/zinc/32/28/59/592322859.db2.gz CAQXEAPPKDAECA-LRDDRELGSA-N 2 2 334.445 1.999 20 0 EDADLP C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788107 592322863 /nfs/dbraw/zinc/32/28/63/592322863.db2.gz CAQXEAPPKDAECA-LRDDRELGSA-N 2 2 334.445 1.999 20 0 EDADLP C[NH+]1CCN(Cc2ccccc2-c2c[nH+]c3n2C[C@@H]([NH3+])CC3)CC1 ZINC000904804626 592329306 /nfs/dbraw/zinc/32/93/06/592329306.db2.gz DWYOFGBBPSADOQ-INIZCTEOSA-N 3 2 325.460 1.571 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000903824457 592334226 /nfs/dbraw/zinc/33/42/26/592334226.db2.gz QSTUKBDOBAPTEL-RDJZCZTQSA-N 2 2 339.867 1.505 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000903824457 592334232 /nfs/dbraw/zinc/33/42/32/592334232.db2.gz QSTUKBDOBAPTEL-RDJZCZTQSA-N 2 2 339.867 1.505 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000903856957 592347680 /nfs/dbraw/zinc/34/76/80/592347680.db2.gz SWYNEJVCRHGCLG-KXBFYZLASA-N 2 2 346.450 1.288 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000903856957 592347684 /nfs/dbraw/zinc/34/76/84/592347684.db2.gz SWYNEJVCRHGCLG-KXBFYZLASA-N 2 2 346.450 1.288 20 0 EDADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cnccn1 ZINC000906821803 592372760 /nfs/dbraw/zinc/37/27/60/592372760.db2.gz BHUIPPRJTBKQHT-MRXNPFEDSA-N 2 2 345.491 1.647 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cnn1C ZINC000903935452 592385910 /nfs/dbraw/zinc/38/59/10/592385910.db2.gz PSAADOVEUUZYSI-KRWDZBQOSA-N 3 2 333.524 1.796 20 0 EDADLP Cn1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c(-c2ccncc2)n1 ZINC000903974907 592398083 /nfs/dbraw/zinc/39/80/83/592398083.db2.gz VBTYEDLOMZBUGK-QGZVFWFLSA-N 2 2 341.459 1.730 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCS[C@@H](C(F)(F)F)C2)cnn1C ZINC000903986659 592406256 /nfs/dbraw/zinc/40/62/56/592406256.db2.gz OXDYOPYJDXGWND-DGCLKSJQSA-N 2 2 336.427 1.826 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cnn1C ZINC000903986659 592406251 /nfs/dbraw/zinc/40/62/51/592406251.db2.gz OXDYOPYJDXGWND-DGCLKSJQSA-N 2 2 336.427 1.826 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)c2cc3ccccc3o2)CC1 ZINC000905107457 592408949 /nfs/dbraw/zinc/40/89/49/592408949.db2.gz ZEDCVIPBWRDMTL-INIZCTEOSA-N 2 2 345.443 1.608 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1(O)CCOCC1 ZINC000905117383 592415236 /nfs/dbraw/zinc/41/52/36/592415236.db2.gz PIVJBNWCEMQAQY-ROUUACIJSA-N 2 2 334.460 1.143 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1(O)CCOCC1 ZINC000905117383 592415238 /nfs/dbraw/zinc/41/52/38/592415238.db2.gz PIVJBNWCEMQAQY-ROUUACIJSA-N 2 2 334.460 1.143 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904316751 592475080 /nfs/dbraw/zinc/47/50/80/592475080.db2.gz RQVNQWGHAMEPHJ-VQIMIIECSA-N 2 2 336.524 1.441 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904316751 592475086 /nfs/dbraw/zinc/47/50/86/592475086.db2.gz RQVNQWGHAMEPHJ-VQIMIIECSA-N 2 2 336.524 1.441 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC1(O)C2CC3CC(C2)CC1C3 ZINC000905390291 592515268 /nfs/dbraw/zinc/51/52/68/592515268.db2.gz PFEGLICAUTVYHF-MGMWPHTOSA-N 2 2 335.492 1.103 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC1(O)C2CC3CC(C2)CC1C3 ZINC000905390291 592515269 /nfs/dbraw/zinc/51/52/69/592515269.db2.gz PFEGLICAUTVYHF-MGMWPHTOSA-N 2 2 335.492 1.103 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410226 592524226 /nfs/dbraw/zinc/52/42/26/592524226.db2.gz UJUROCPEHKBSDJ-SJORKVTESA-N 2 2 326.481 1.276 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410226 592524228 /nfs/dbraw/zinc/52/42/28/592524228.db2.gz UJUROCPEHKBSDJ-SJORKVTESA-N 2 2 326.481 1.276 20 0 EDADLP CO[C@@]1(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCSC1 ZINC000905544918 592557798 /nfs/dbraw/zinc/55/77/98/592557798.db2.gz CPKBCQXYRJHTKI-QZTJIDSGSA-N 2 2 336.501 1.517 20 0 EDADLP CO[C@@]1(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCSC1 ZINC000905544918 592557800 /nfs/dbraw/zinc/55/78/00/592557800.db2.gz CPKBCQXYRJHTKI-QZTJIDSGSA-N 2 2 336.501 1.517 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)COCc2cccs2)n1 ZINC000905532483 592563937 /nfs/dbraw/zinc/56/39/37/592563937.db2.gz IWFXQMMAJQRDAJ-CYBMUJFWSA-N 2 2 341.502 1.934 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000907213150 592565613 /nfs/dbraw/zinc/56/56/13/592565613.db2.gz BQYCEGFGSONWHI-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000907213150 592565615 /nfs/dbraw/zinc/56/56/15/592565615.db2.gz BQYCEGFGSONWHI-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CC1(CO)CCCC1)c1cccnc1 ZINC000905548836 592571791 /nfs/dbraw/zinc/57/17/91/592571791.db2.gz BXUXLOZSPUHUNS-QZTJIDSGSA-N 2 2 335.492 1.968 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(F)cc1F ZINC000905618820 592595282 /nfs/dbraw/zinc/59/52/82/592595282.db2.gz JKHHPPXUWCVBRB-YOEHRIQHSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(F)cc1F ZINC000905618820 592595283 /nfs/dbraw/zinc/59/52/83/592595283.db2.gz JKHHPPXUWCVBRB-YOEHRIQHSA-N 2 2 326.387 1.841 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905937864 592689337 /nfs/dbraw/zinc/68/93/37/592689337.db2.gz NMFSSRMRDBSRRJ-IRXDYDNUSA-N 2 2 328.497 1.237 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905937864 592689340 /nfs/dbraw/zinc/68/93/40/592689340.db2.gz NMFSSRMRDBSRRJ-IRXDYDNUSA-N 2 2 328.497 1.237 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)c2ccc(NCc3[nH+]ccn3C)cc2)C1 ZINC000907520329 592700501 /nfs/dbraw/zinc/70/05/01/592700501.db2.gz ZIRHAMVIZRMNBI-UHFFFAOYSA-N 2 2 327.432 1.855 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C12CC[NH+](CC1)C2 ZINC000907569312 592714566 /nfs/dbraw/zinc/71/45/66/592714566.db2.gz FXZXLZVAGNVHTR-KBPBESRZSA-N 2 2 337.464 1.873 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C12CC[NH+](CC1)C2 ZINC000907569312 592714568 /nfs/dbraw/zinc/71/45/68/592714568.db2.gz FXZXLZVAGNVHTR-KBPBESRZSA-N 2 2 337.464 1.873 20 0 EDADLP CC(=O)CCn1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nn1 ZINC000906273029 592770623 /nfs/dbraw/zinc/77/06/23/592770623.db2.gz KUQUKICKSXSQJM-UHFFFAOYSA-N 2 2 349.479 1.334 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)n[nH]1 ZINC000907793069 592797433 /nfs/dbraw/zinc/79/74/33/592797433.db2.gz IZDDZWLHJHBZOT-DAXOMENPSA-N 2 2 335.427 1.435 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)n[nH]1 ZINC000907793069 592797437 /nfs/dbraw/zinc/79/74/37/592797437.db2.gz IZDDZWLHJHBZOT-DAXOMENPSA-N 2 2 335.427 1.435 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)[C@@H](C)C1 ZINC000910279310 592819205 /nfs/dbraw/zinc/81/92/05/592819205.db2.gz JPBRNADASCYVGT-INIZCTEOSA-N 2 2 346.475 1.470 20 0 EDADLP CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)[C@@H](C)C1 ZINC000910279310 592819207 /nfs/dbraw/zinc/81/92/07/592819207.db2.gz JPBRNADASCYVGT-INIZCTEOSA-N 2 2 346.475 1.470 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000730939706 592919556 /nfs/dbraw/zinc/91/95/56/592919556.db2.gz LEOJZRTVTLCZGA-MRXNPFEDSA-N 2 2 348.472 1.719 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000730939706 592919557 /nfs/dbraw/zinc/91/95/57/592919557.db2.gz LEOJZRTVTLCZGA-MRXNPFEDSA-N 2 2 348.472 1.719 20 0 EDADLP COCC[NH+](CCOC)C1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000911860741 593023437 /nfs/dbraw/zinc/02/34/37/593023437.db2.gz ZSQGPRPSMIHFAE-UHFFFAOYSA-N 2 2 335.448 1.426 20 0 EDADLP COc1ccccc1CN(Cc1cccs1)C(=O)C[NH2+]CC[NH3+] ZINC000912039332 593051340 /nfs/dbraw/zinc/05/13/40/593051340.db2.gz BYCMANJJSRWGRR-UHFFFAOYSA-N 2 2 333.457 1.834 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC([NH+]4CCCC4)C3)CC2)cs1 ZINC000912324253 593087003 /nfs/dbraw/zinc/08/70/03/593087003.db2.gz AZEDNRDIRJXWQV-UHFFFAOYSA-N 2 2 348.516 1.970 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000912386950 593089961 /nfs/dbraw/zinc/08/99/61/593089961.db2.gz LOMIFFNMPBBIEE-SNVBAGLBSA-N 2 2 348.702 1.107 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H](O)C(Cl)(Cl)Cl ZINC000912386950 593089962 /nfs/dbraw/zinc/08/99/62/593089962.db2.gz LOMIFFNMPBBIEE-SNVBAGLBSA-N 2 2 348.702 1.107 20 0 EDADLP CC[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)C(C)C ZINC000807676139 593189812 /nfs/dbraw/zinc/18/98/12/593189812.db2.gz LOASUSDCGJCFAB-KRWDZBQOSA-N 2 2 346.475 1.136 20 0 EDADLP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)C(C)C ZINC000807676139 593189814 /nfs/dbraw/zinc/18/98/14/593189814.db2.gz LOASUSDCGJCFAB-KRWDZBQOSA-N 2 2 346.475 1.136 20 0 EDADLP CC[NH+](CCNC(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C(C)C ZINC000807676139 593189815 /nfs/dbraw/zinc/18/98/15/593189815.db2.gz LOASUSDCGJCFAB-KRWDZBQOSA-N 2 2 346.475 1.136 20 0 EDADLP CC[NH+](CCNC(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C(C)C ZINC000807676139 593189817 /nfs/dbraw/zinc/18/98/17/593189817.db2.gz LOASUSDCGJCFAB-KRWDZBQOSA-N 2 2 346.475 1.136 20 0 EDADLP O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000838904449 593229933 /nfs/dbraw/zinc/22/99/33/593229933.db2.gz KADOOZSEWRYAQA-HDICACEKSA-N 2 2 341.411 1.951 20 0 EDADLP CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809779377 593358456 /nfs/dbraw/zinc/35/84/56/593358456.db2.gz LBJMFXGUBOJXMZ-GFCCVEGCSA-N 2 2 326.466 1.915 20 0 EDADLP CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000809779377 593358458 /nfs/dbraw/zinc/35/84/58/593358458.db2.gz LBJMFXGUBOJXMZ-GFCCVEGCSA-N 2 2 326.466 1.915 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000840029096 593392923 /nfs/dbraw/zinc/39/29/23/593392923.db2.gz RTPUGJUXDGEEIR-QJUXXTNESA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000840029096 593392927 /nfs/dbraw/zinc/39/29/27/593392927.db2.gz RTPUGJUXDGEEIR-QJUXXTNESA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000840029096 593392929 /nfs/dbraw/zinc/39/29/29/593392929.db2.gz RTPUGJUXDGEEIR-QJUXXTNESA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000840029096 593392932 /nfs/dbraw/zinc/39/29/32/593392932.db2.gz RTPUGJUXDGEEIR-QJUXXTNESA-N 2 2 345.487 1.781 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030748 593394855 /nfs/dbraw/zinc/39/48/55/593394855.db2.gz MNCWDXWMCOUHFD-UWGWQUPMSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030748 593394858 /nfs/dbraw/zinc/39/48/58/593394858.db2.gz MNCWDXWMCOUHFD-UWGWQUPMSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030748 593394861 /nfs/dbraw/zinc/39/48/61/593394861.db2.gz MNCWDXWMCOUHFD-UWGWQUPMSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030748 593394864 /nfs/dbraw/zinc/39/48/64/593394864.db2.gz MNCWDXWMCOUHFD-UWGWQUPMSA-N 2 2 345.487 1.781 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1CCN(Cc2cccnc2)C1=O ZINC000840031488 593395847 /nfs/dbraw/zinc/39/58/47/593395847.db2.gz QBQMHBGNDNLMAQ-UHFFFAOYSA-N 2 2 342.447 1.804 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1CCN(Cc2cccnc2)C1=O ZINC000840031488 593395850 /nfs/dbraw/zinc/39/58/50/593395850.db2.gz QBQMHBGNDNLMAQ-UHFFFAOYSA-N 2 2 342.447 1.804 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)OCc2c[nH+]cn2Cc2ccccc2)C1 ZINC000805472966 593456793 /nfs/dbraw/zinc/45/67/93/593456793.db2.gz PZVURGQYLCXRIU-QGZVFWFLSA-N 2 2 329.400 1.695 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)OCc2c[nH+]cn2Cc2ccccc2)C1 ZINC000805472966 593456795 /nfs/dbraw/zinc/45/67/95/593456795.db2.gz PZVURGQYLCXRIU-QGZVFWFLSA-N 2 2 329.400 1.695 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000816750881 593547462 /nfs/dbraw/zinc/54/74/62/593547462.db2.gz USLQXHNLOMSDBU-HZPDHXFCSA-N 2 2 341.415 1.203 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000816750881 593547463 /nfs/dbraw/zinc/54/74/63/593547463.db2.gz USLQXHNLOMSDBU-HZPDHXFCSA-N 2 2 341.415 1.203 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816972123 593566175 /nfs/dbraw/zinc/56/61/75/593566175.db2.gz BSQXBWPEYAJPHT-CYBMUJFWSA-N 2 2 333.461 1.698 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816972123 593566176 /nfs/dbraw/zinc/56/61/76/593566176.db2.gz BSQXBWPEYAJPHT-CYBMUJFWSA-N 2 2 333.461 1.698 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C[C@@H](C4CC4)CC3=O)CC2)CC1 ZINC000817371725 593597195 /nfs/dbraw/zinc/59/71/95/593597195.db2.gz AVIDKHKYAURCOH-SFHVURJKSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C[C@@H](C4CC4)CC3=O)CC2)CC1 ZINC000817371725 593597197 /nfs/dbraw/zinc/59/71/97/593597197.db2.gz AVIDKHKYAURCOH-SFHVURJKSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3C[C@@H](C4CC4)CC3=O)CC2)CC1 ZINC000817371725 593597198 /nfs/dbraw/zinc/59/71/98/593597198.db2.gz AVIDKHKYAURCOH-SFHVURJKSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3C[C@@H](C4CC4)CC3=O)CC2)CC1 ZINC000817371725 593597200 /nfs/dbraw/zinc/59/72/00/593597200.db2.gz AVIDKHKYAURCOH-SFHVURJKSA-N 2 2 348.535 1.694 20 0 EDADLP CC[C@@H]1CC(=O)N(CN2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000817374839 593597859 /nfs/dbraw/zinc/59/78/59/593597859.db2.gz YZDPCKAGCMROJW-QGZVFWFLSA-N 2 2 336.524 1.694 20 0 EDADLP CC[C@@H]1CC(=O)N(CN2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000817374839 593597862 /nfs/dbraw/zinc/59/78/62/593597862.db2.gz YZDPCKAGCMROJW-QGZVFWFLSA-N 2 2 336.524 1.694 20 0 EDADLP CC[C@@H]1CC(=O)N(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000817374839 593597863 /nfs/dbraw/zinc/59/78/63/593597863.db2.gz YZDPCKAGCMROJW-QGZVFWFLSA-N 2 2 336.524 1.694 20 0 EDADLP CC[C@@H]1CC(=O)N(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000817374839 593597866 /nfs/dbraw/zinc/59/78/66/593597866.db2.gz YZDPCKAGCMROJW-QGZVFWFLSA-N 2 2 336.524 1.694 20 0 EDADLP O=C1OCCN1c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817922186 593648978 /nfs/dbraw/zinc/64/89/78/593648978.db2.gz SSRQPDBZCUOVNU-SJORKVTESA-N 2 2 331.416 1.500 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000819047146 593735521 /nfs/dbraw/zinc/73/55/21/593735521.db2.gz UXSYWFZJSOUFCM-HNNXBMFYSA-N 2 2 341.402 1.140 20 0 EDADLP Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000819077852 593737591 /nfs/dbraw/zinc/73/75/91/593737591.db2.gz PKNDCFCMFQGGGR-WOJBJXKFSA-N 2 2 347.503 1.333 20 0 EDADLP CC(C)n1cc2c(n1)[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CCC2 ZINC000819220416 593745044 /nfs/dbraw/zinc/74/50/44/593745044.db2.gz OITDBANVXAHQDF-SJORKVTESA-N 2 2 335.496 1.039 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1=O ZINC000819223272 593745256 /nfs/dbraw/zinc/74/52/56/593745256.db2.gz YMDAEIOYWYEGGC-HZPDHXFCSA-N 2 2 346.406 1.373 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1)C1CC1 ZINC000819291995 593748797 /nfs/dbraw/zinc/74/87/97/593748797.db2.gz FTTMZOISNNEMPF-IAGOWNOFSA-N 2 2 345.443 1.159 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1)C1CC1 ZINC000819291995 593748798 /nfs/dbraw/zinc/74/87/98/593748798.db2.gz FTTMZOISNNEMPF-IAGOWNOFSA-N 2 2 345.443 1.159 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)S1 ZINC000820282988 593805944 /nfs/dbraw/zinc/80/59/44/593805944.db2.gz HSIMUNBBPKOUGW-AWEZNQCLSA-N 2 2 336.505 1.498 20 0 EDADLP O=C(CNC(=O)c1cc2c[nH+]ccc2[nH]1)NCC[NH+]1CCCCCC1 ZINC000820441240 593819271 /nfs/dbraw/zinc/81/92/71/593819271.db2.gz JDQFAAVJDINKNG-UHFFFAOYSA-N 2 2 343.431 1.285 20 0 EDADLP O[C@@H](C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683138 593834107 /nfs/dbraw/zinc/83/41/07/593834107.db2.gz YXHYLOAXTGELKL-CVEARBPZSA-N 2 2 339.403 1.434 20 0 EDADLP O[C@@H](C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823683138 593834111 /nfs/dbraw/zinc/83/41/11/593834111.db2.gz YXHYLOAXTGELKL-CVEARBPZSA-N 2 2 339.403 1.434 20 0 EDADLP Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000823820934 593867776 /nfs/dbraw/zinc/86/77/76/593867776.db2.gz MQHJXEVYPOLTFM-RYUDHWBXSA-N 2 2 349.236 1.280 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)N1CC[NH+](C)CC1 ZINC000820810400 593894751 /nfs/dbraw/zinc/89/47/51/593894751.db2.gz WGPOEQBTYQGDHL-WSTZPKSXSA-N 3 2 330.520 1.875 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)N1CC[NH+](C)CC1 ZINC000820810400 593894754 /nfs/dbraw/zinc/89/47/54/593894754.db2.gz WGPOEQBTYQGDHL-WSTZPKSXSA-N 3 2 330.520 1.875 20 0 EDADLP C[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCOCC1 ZINC000824426196 594008933 /nfs/dbraw/zinc/00/89/33/594008933.db2.gz BOJBGTFWRNTNPT-ZIAGYGMSSA-N 2 2 330.436 1.486 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1noc2c1CC(C)(C)CC2 ZINC000824432320 594010527 /nfs/dbraw/zinc/01/05/27/594010527.db2.gz QYCWFISTICSVMN-UHFFFAOYSA-N 2 2 336.480 1.803 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1noc2c1CC(C)(C)CC2 ZINC000824432320 594010528 /nfs/dbraw/zinc/01/05/28/594010528.db2.gz QYCWFISTICSVMN-UHFFFAOYSA-N 2 2 336.480 1.803 20 0 EDADLP CC[C@](C)(CO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825043656 594121077 /nfs/dbraw/zinc/12/10/77/594121077.db2.gz IPTLPDZBRCQGGX-GOSISDBHSA-N 2 2 344.463 1.582 20 0 EDADLP [NH3+]Cc1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000827548942 594230352 /nfs/dbraw/zinc/23/03/52/594230352.db2.gz RPTAKILUZJIDSG-QGZVFWFLSA-N 2 2 335.473 1.083 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000827666800 594254419 /nfs/dbraw/zinc/25/44/19/594254419.db2.gz YVXORBYNATWRQG-DLBZAZTESA-N 2 2 325.497 1.726 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000826182550 594366465 /nfs/dbraw/zinc/36/64/65/594366465.db2.gz NIKMEIJUEACVMX-UHFFFAOYSA-N 2 2 339.403 1.909 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC000826591442 594534650 /nfs/dbraw/zinc/53/46/50/594534650.db2.gz ZZFVYRNFXBGQNB-NZSAHSFTSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC000826591442 594534652 /nfs/dbraw/zinc/53/46/52/594534652.db2.gz ZZFVYRNFXBGQNB-NZSAHSFTSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1 ZINC000826591442 594534654 /nfs/dbraw/zinc/53/46/54/594534654.db2.gz ZZFVYRNFXBGQNB-NZSAHSFTSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1 ZINC000826591442 594534656 /nfs/dbraw/zinc/53/46/56/594534656.db2.gz ZZFVYRNFXBGQNB-NZSAHSFTSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC000826596235 594535339 /nfs/dbraw/zinc/53/53/39/594535339.db2.gz AKSJIUYOXGVQIU-QGZVFWFLSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC000826596235 594535341 /nfs/dbraw/zinc/53/53/41/594535341.db2.gz AKSJIUYOXGVQIU-QGZVFWFLSA-N 2 2 342.443 1.668 20 0 EDADLP Cn1c[nH+]c(/C=C/C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1 ZINC000826678747 594553135 /nfs/dbraw/zinc/55/31/35/594553135.db2.gz IJSCTIPFUQQOKR-FYCOFBDGSA-N 2 2 332.448 1.535 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cn1 ZINC000826690301 594556349 /nfs/dbraw/zinc/55/63/49/594556349.db2.gz QOPQVVUAHGYVGG-KRWDZBQOSA-N 2 2 327.432 1.361 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cn1 ZINC000826690301 594556351 /nfs/dbraw/zinc/55/63/51/594556351.db2.gz QOPQVVUAHGYVGG-KRWDZBQOSA-N 2 2 327.432 1.361 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c(N(C)C)[nH+]1 ZINC000841145905 594858695 /nfs/dbraw/zinc/85/86/95/594858695.db2.gz MYFYBOBBGRHEDK-UHFFFAOYSA-N 2 2 333.436 1.172 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841672672 594933646 /nfs/dbraw/zinc/93/36/46/594933646.db2.gz MHQLISBYLNTDAT-UHFFFAOYSA-N 2 2 327.432 1.662 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000836236580 594941375 /nfs/dbraw/zinc/94/13/75/594941375.db2.gz XLOXLJKBAKVHQY-MRXNPFEDSA-N 2 2 343.431 1.768 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000841727188 594944097 /nfs/dbraw/zinc/94/40/97/594944097.db2.gz PMRMCMPMVLKSBD-QGZVFWFLSA-N 2 2 346.410 1.419 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000841726340 594944206 /nfs/dbraw/zinc/94/42/06/594944206.db2.gz JHQAEQIJCMRVAT-QWHCGFSZSA-N 2 2 328.420 1.468 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CCn2cc[nH+]c21 ZINC000836518134 594971386 /nfs/dbraw/zinc/97/13/86/594971386.db2.gz QZZYGZQUHQSPMW-CQSZACIVSA-N 2 2 349.504 1.989 20 0 EDADLP Cc1nn(C)cc1CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000842037765 595006594 /nfs/dbraw/zinc/00/65/94/595006594.db2.gz AQQJIUCXOVXWIT-QGZVFWFLSA-N 2 2 343.431 1.628 20 0 EDADLP Cc1nn(C)cc1CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000842037765 595006596 /nfs/dbraw/zinc/00/65/96/595006596.db2.gz AQQJIUCXOVXWIT-QGZVFWFLSA-N 2 2 343.431 1.628 20 0 EDADLP COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845614223 595032305 /nfs/dbraw/zinc/03/23/05/595032305.db2.gz JDVVWKZLBMLQTF-ILXRZTDVSA-N 2 2 325.409 1.113 20 0 EDADLP COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845614223 595032307 /nfs/dbraw/zinc/03/23/07/595032307.db2.gz JDVVWKZLBMLQTF-ILXRZTDVSA-N 2 2 325.409 1.113 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843348104 595082361 /nfs/dbraw/zinc/08/23/61/595082361.db2.gz VZQKZPWFIQDNAU-HNNXBMFYSA-N 2 2 346.475 1.682 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843348104 595082363 /nfs/dbraw/zinc/08/23/63/595082363.db2.gz VZQKZPWFIQDNAU-HNNXBMFYSA-N 2 2 346.475 1.682 20 0 EDADLP CC(C)(C[NH+]1CCCC1)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000837422883 595106953 /nfs/dbraw/zinc/10/69/53/595106953.db2.gz BUZSTJKHGMPVHI-UHFFFAOYSA-N 2 2 342.447 1.941 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846816334 595321018 /nfs/dbraw/zinc/32/10/18/595321018.db2.gz FQWCZLDPFFKUPP-LBPRGKRZSA-N 2 2 330.270 1.152 20 0 EDADLP O=C(CO[C@H]1CCC[NH2+]C1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000844177107 595292955 /nfs/dbraw/zinc/29/29/55/595292955.db2.gz BUORRYNGLZTFRE-KRWDZBQOSA-N 2 2 333.432 1.226 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844180401 595294108 /nfs/dbraw/zinc/29/41/08/595294108.db2.gz BJEXJNOEZWLOOJ-LLVKDONJSA-N 2 2 334.342 1.172 20 0 EDADLP CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846671117 595297731 /nfs/dbraw/zinc/29/77/31/595297731.db2.gz YLJXJIMAPHAKOD-LBPRGKRZSA-N 2 2 326.828 1.307 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000844199394 595300984 /nfs/dbraw/zinc/30/09/84/595300984.db2.gz ZMEVDTSXPDREBR-GDBMZVCRSA-N 2 2 325.416 1.872 20 0 EDADLP CN(C(=O)c1ccccc1C[NH+]1CCOCC1)C1CCC([NH3+])CC1 ZINC000844203431 595301785 /nfs/dbraw/zinc/30/17/85/595301785.db2.gz BZAQCZPWJGECJF-UHFFFAOYSA-N 2 2 331.460 1.861 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000844223349 595307760 /nfs/dbraw/zinc/30/77/60/595307760.db2.gz ZPVYODVRTXVUPC-UHFFFAOYSA-N 2 2 333.480 1.154 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000844223349 595307762 /nfs/dbraw/zinc/30/77/62/595307762.db2.gz ZPVYODVRTXVUPC-UHFFFAOYSA-N 2 2 333.480 1.154 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846816334 595321016 /nfs/dbraw/zinc/32/10/16/595321016.db2.gz FQWCZLDPFFKUPP-LBPRGKRZSA-N 2 2 330.270 1.152 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000846834436 595323705 /nfs/dbraw/zinc/32/37/05/595323705.db2.gz ABZWCIPVHWOIIL-NSHDSACASA-N 2 2 340.387 1.430 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000846834436 595323707 /nfs/dbraw/zinc/32/37/07/595323707.db2.gz ABZWCIPVHWOIIL-NSHDSACASA-N 2 2 340.387 1.430 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)C2=O ZINC000844694770 595375458 /nfs/dbraw/zinc/37/54/58/595375458.db2.gz QBDKHDLCJMAHDG-CYBMUJFWSA-N 2 2 340.383 1.782 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)C2=O ZINC000844694770 595375461 /nfs/dbraw/zinc/37/54/61/595375461.db2.gz QBDKHDLCJMAHDG-CYBMUJFWSA-N 2 2 340.383 1.782 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cn2cc(-c3ccncn3)cn2)C1 ZINC000848480979 595390805 /nfs/dbraw/zinc/39/08/05/595390805.db2.gz UASMFZHIGHSESZ-INIZCTEOSA-N 2 2 326.448 1.961 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cn2cc(-c3ccncn3)cn2)C1 ZINC000848480979 595390807 /nfs/dbraw/zinc/39/08/07/595390807.db2.gz UASMFZHIGHSESZ-INIZCTEOSA-N 2 2 326.448 1.961 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cn2cc(-c3ccncn3)cn2)C1 ZINC000848480979 595390810 /nfs/dbraw/zinc/39/08/10/595390810.db2.gz UASMFZHIGHSESZ-INIZCTEOSA-N 2 2 326.448 1.961 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cn2cc(-c3ccncn3)cn2)C1 ZINC000848480979 595390813 /nfs/dbraw/zinc/39/08/13/595390813.db2.gz UASMFZHIGHSESZ-INIZCTEOSA-N 2 2 326.448 1.961 20 0 EDADLP CCc1[nH+]c2ccccc2n1Cc1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000844917086 595413821 /nfs/dbraw/zinc/41/38/21/595413821.db2.gz MUKZATYCAZPJHS-SGTLLEGYSA-N 2 2 339.399 1.517 20 0 EDADLP COc1cnc(F)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000847486080 595431552 /nfs/dbraw/zinc/43/15/52/595431552.db2.gz OOHUIBWPCWVIQK-GFCCVEGCSA-N 2 2 336.411 1.128 20 0 EDADLP COc1cnc(F)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000847486080 595431553 /nfs/dbraw/zinc/43/15/53/595431553.db2.gz OOHUIBWPCWVIQK-GFCCVEGCSA-N 2 2 336.411 1.128 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000848884416 595462432 /nfs/dbraw/zinc/46/24/32/595462432.db2.gz LFPKESRYNJJXEO-PTZVLDCSSA-N 2 2 347.459 1.678 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000848884416 595462434 /nfs/dbraw/zinc/46/24/34/595462434.db2.gz LFPKESRYNJJXEO-PTZVLDCSSA-N 2 2 347.459 1.678 20 0 EDADLP NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848929882 595468882 /nfs/dbraw/zinc/46/88/82/595468882.db2.gz KQBQSFGYURGZGJ-QGZVFWFLSA-N 2 2 347.459 1.237 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1S(C)(=O)=O ZINC000849116897 595484386 /nfs/dbraw/zinc/48/43/86/595484386.db2.gz SYDICSPVHQFEHC-AWEZNQCLSA-N 2 2 338.477 1.188 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1S(C)(=O)=O ZINC000849116897 595484387 /nfs/dbraw/zinc/48/43/87/595484387.db2.gz SYDICSPVHQFEHC-AWEZNQCLSA-N 2 2 338.477 1.188 20 0 EDADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000108551446 595513438 /nfs/dbraw/zinc/51/34/38/595513438.db2.gz WCMMLLSKUBMMLZ-AWEZNQCLSA-N 2 2 328.420 1.408 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000108551446 595513439 /nfs/dbraw/zinc/51/34/39/595513439.db2.gz WCMMLLSKUBMMLZ-AWEZNQCLSA-N 2 2 328.420 1.408 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCCn2cc[nH+]c2)[C@H](c2cnn(C)c2)C1 ZINC000849497335 595551466 /nfs/dbraw/zinc/55/14/66/595551466.db2.gz DZYPEIAKFAHGPI-IRXDYDNUSA-N 2 2 344.463 1.247 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C(=O)NCCn2cc[nH+]c2)[C@H](c2cnn(C)c2)C1 ZINC000849497335 595551469 /nfs/dbraw/zinc/55/14/69/595551469.db2.gz DZYPEIAKFAHGPI-IRXDYDNUSA-N 2 2 344.463 1.247 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000852901279 595605995 /nfs/dbraw/zinc/60/59/95/595605995.db2.gz FDNSGCSKULACJY-QGTPRVQTSA-N 2 2 329.444 1.239 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000852901279 595605998 /nfs/dbraw/zinc/60/59/98/595605998.db2.gz FDNSGCSKULACJY-QGTPRVQTSA-N 2 2 329.444 1.239 20 0 EDADLP CN(C(=O)c1ccc(F)c(N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852913027 595612061 /nfs/dbraw/zinc/61/20/61/595612061.db2.gz KGXSLHSTTPIXBF-OAHLLOKOSA-N 2 2 334.439 1.648 20 0 EDADLP CN(C(=O)c1ccc(F)c(N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852913027 595612065 /nfs/dbraw/zinc/61/20/65/595612065.db2.gz KGXSLHSTTPIXBF-OAHLLOKOSA-N 2 2 334.439 1.648 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCn4c[nH+]cc43)CC2)CC1 ZINC000857979329 595674153 /nfs/dbraw/zinc/67/41/53/595674153.db2.gz WBRKKTGYZNRPGP-QGZVFWFLSA-N 3 2 345.491 1.640 20 0 EDADLP CCc1nn(C)c(Cl)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415167 595704289 /nfs/dbraw/zinc/70/42/89/595704289.db2.gz SBOVVANJQQMKEQ-UHFFFAOYSA-N 2 2 329.876 1.249 20 0 EDADLP CCc1nn(C)c(Cl)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415167 595704292 /nfs/dbraw/zinc/70/42/92/595704292.db2.gz SBOVVANJQQMKEQ-UHFFFAOYSA-N 2 2 329.876 1.249 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000858546913 595824127 /nfs/dbraw/zinc/82/41/27/595824127.db2.gz BCOJLOWVPPNZDW-HZSPNIEDSA-N 2 2 334.407 1.400 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000858546913 595824129 /nfs/dbraw/zinc/82/41/29/595824129.db2.gz BCOJLOWVPPNZDW-HZSPNIEDSA-N 2 2 334.407 1.400 20 0 EDADLP CCc1nn(C)c(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850397090 595827460 /nfs/dbraw/zinc/82/74/60/595827460.db2.gz SDOFJMFOQLYSCQ-ZDUSSCGKSA-N 2 2 326.872 1.979 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000851655572 595869545 /nfs/dbraw/zinc/86/95/45/595869545.db2.gz WYWQGDUXPVYLGC-IUODEOHRSA-N 2 2 331.420 1.425 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000856081905 595890216 /nfs/dbraw/zinc/89/02/16/595890216.db2.gz CZHCPTCDOZMGJZ-IAGOWNOFSA-N 2 2 346.475 1.731 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000858837112 595902110 /nfs/dbraw/zinc/90/21/10/595902110.db2.gz JKYJALGSCMWUFW-OFLPRAFFSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000858837112 595902112 /nfs/dbraw/zinc/90/21/12/595902112.db2.gz JKYJALGSCMWUFW-OFLPRAFFSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000854111662 595978675 /nfs/dbraw/zinc/97/86/75/595978675.db2.gz MVYDSSICHGETBI-CYBMUJFWSA-N 2 2 339.311 1.753 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000854111662 595978676 /nfs/dbraw/zinc/97/86/76/595978676.db2.gz MVYDSSICHGETBI-CYBMUJFWSA-N 2 2 339.311 1.753 20 0 EDADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000861541483 596021609 /nfs/dbraw/zinc/02/16/09/596021609.db2.gz CURIRONDRZQNBL-SNVBAGLBSA-N 2 2 329.404 1.195 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000861553563 596027489 /nfs/dbraw/zinc/02/74/89/596027489.db2.gz SJULBJBJFWUCBB-MELADBBJSA-N 2 2 335.452 1.184 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000861563956 596030381 /nfs/dbraw/zinc/03/03/81/596030381.db2.gz ZSFZLFOVXZMYIN-NVXWUHKLSA-N 2 2 334.464 1.357 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCOC(=O)Cc2ccccc2)CC1 ZINC000852124010 596052209 /nfs/dbraw/zinc/05/22/09/596052209.db2.gz MLQUPBRQNZKHBA-UHFFFAOYSA-N 2 2 348.487 1.845 20 0 EDADLP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCOCC3)c2)C1 ZINC000856734573 596065044 /nfs/dbraw/zinc/06/50/44/596065044.db2.gz RSSCOBHZOJOPJS-GOSISDBHSA-N 2 2 331.460 1.558 20 0 EDADLP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCOCC3)c2)C1 ZINC000856734573 596065049 /nfs/dbraw/zinc/06/50/49/596065049.db2.gz RSSCOBHZOJOPJS-GOSISDBHSA-N 2 2 331.460 1.558 20 0 EDADLP CC[N@@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000852167714 596067702 /nfs/dbraw/zinc/06/77/02/596067702.db2.gz ZCWMXSYVHMRMKH-KRWDZBQOSA-N 2 2 348.491 1.340 20 0 EDADLP CC[N@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000852167714 596067706 /nfs/dbraw/zinc/06/77/06/596067706.db2.gz ZCWMXSYVHMRMKH-KRWDZBQOSA-N 2 2 348.491 1.340 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cnccn3)cc2)CC1 ZINC000856765662 596075995 /nfs/dbraw/zinc/07/59/95/596075995.db2.gz JDQYKMSRIHREIP-UHFFFAOYSA-N 2 2 325.416 1.154 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852604234 596208297 /nfs/dbraw/zinc/20/82/97/596208297.db2.gz ORQGVUJOLFOPDE-PMPSAXMXSA-N 2 2 343.512 1.924 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852604234 596208300 /nfs/dbraw/zinc/20/83/00/596208300.db2.gz ORQGVUJOLFOPDE-PMPSAXMXSA-N 2 2 343.512 1.924 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852604234 596208302 /nfs/dbraw/zinc/20/83/02/596208302.db2.gz ORQGVUJOLFOPDE-PMPSAXMXSA-N 2 2 343.512 1.924 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852604234 596208303 /nfs/dbraw/zinc/20/83/03/596208303.db2.gz ORQGVUJOLFOPDE-PMPSAXMXSA-N 2 2 343.512 1.924 20 0 EDADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862295520 596297821 /nfs/dbraw/zinc/29/78/21/596297821.db2.gz LBYYGFIMKXEYFI-OAGGEKHMSA-N 2 2 341.496 1.942 20 0 EDADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862295520 596297824 /nfs/dbraw/zinc/29/78/24/596297824.db2.gz LBYYGFIMKXEYFI-OAGGEKHMSA-N 2 2 341.496 1.942 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)Cc2ccc[nH+]c21 ZINC000868763059 596298391 /nfs/dbraw/zinc/29/83/91/596298391.db2.gz BSGYNLYPUTYLJU-OAHLLOKOSA-N 2 2 331.464 1.916 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)Cc2ccc[nH+]c21 ZINC000868763059 596298393 /nfs/dbraw/zinc/29/83/93/596298393.db2.gz BSGYNLYPUTYLJU-OAHLLOKOSA-N 2 2 331.464 1.916 20 0 EDADLP CNC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000866723355 596310087 /nfs/dbraw/zinc/31/00/87/596310087.db2.gz HKSQAYNHJFDMGV-OALUTQOASA-N 2 2 341.455 1.166 20 0 EDADLP CNC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000866723355 596310091 /nfs/dbraw/zinc/31/00/91/596310091.db2.gz HKSQAYNHJFDMGV-OALUTQOASA-N 2 2 341.455 1.166 20 0 EDADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000864703805 596313707 /nfs/dbraw/zinc/31/37/07/596313707.db2.gz XHICCZLRBSFCKZ-MRXNPFEDSA-N 2 2 348.834 1.831 20 0 EDADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000864703805 596313714 /nfs/dbraw/zinc/31/37/14/596313714.db2.gz XHICCZLRBSFCKZ-MRXNPFEDSA-N 2 2 348.834 1.831 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+](C)C)N(c2cc(NCCc3ccc[nH]3)[nH+]cn2)C1 ZINC000864714423 596318344 /nfs/dbraw/zinc/31/83/44/596318344.db2.gz AUFWLXMBRJAWOB-HOTGVXAUSA-N 2 2 344.463 1.615 20 0 EDADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000864824595 596373140 /nfs/dbraw/zinc/37/31/40/596373140.db2.gz HFFQJGPBHAAYPA-GWQWAINWSA-N 2 2 349.500 1.499 20 0 EDADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000864824595 596373145 /nfs/dbraw/zinc/37/31/45/596373145.db2.gz HFFQJGPBHAAYPA-GWQWAINWSA-N 2 2 349.500 1.499 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CC1 ZINC000870854483 596378178 /nfs/dbraw/zinc/37/81/78/596378178.db2.gz GIVPMOQLULTPPV-ZNMIVQPWSA-N 2 2 337.489 1.755 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1cccc(F)c1 ZINC000870861264 596380797 /nfs/dbraw/zinc/38/07/97/596380797.db2.gz MXEWADSGLAIWKE-PXMRGAAZSA-N 2 2 328.391 1.892 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000870862820 596381319 /nfs/dbraw/zinc/38/13/19/596381319.db2.gz BDFCMRLWIFHWEI-MJQMVNBJSA-N 2 2 329.444 1.304 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870866121 596382597 /nfs/dbraw/zinc/38/25/97/596382597.db2.gz OCXMHRGYKJZGRD-LBPRGKRZSA-N 2 2 338.477 1.061 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)Cc1cn3cc(F)ccc3[nH+]1)CCO2 ZINC000869113958 596415732 /nfs/dbraw/zinc/41/57/32/596415732.db2.gz IFLQWLHCVAWAAR-UHFFFAOYSA-N 2 2 346.406 1.339 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@]3(F)CC[NH2+]C3)C2)c1 ZINC000870977492 596424573 /nfs/dbraw/zinc/42/45/73/596424573.db2.gz HFWJMFHOFMFGJR-FUHWJXTLSA-N 2 2 335.423 1.014 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@]3(F)CC[NH2+]C3)C2)c1 ZINC000870977492 596424577 /nfs/dbraw/zinc/42/45/77/596424577.db2.gz HFWJMFHOFMFGJR-FUHWJXTLSA-N 2 2 335.423 1.014 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)C2)c1 ZINC000870978322 596425112 /nfs/dbraw/zinc/42/51/12/596425112.db2.gz SWRZIFQGMXJHGE-GGPKGHCWSA-N 2 2 343.471 1.312 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)C2)c1 ZINC000870978322 596425114 /nfs/dbraw/zinc/42/51/14/596425114.db2.gz SWRZIFQGMXJHGE-GGPKGHCWSA-N 2 2 343.471 1.312 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C2)cc1 ZINC000870978929 596426040 /nfs/dbraw/zinc/42/60/40/596426040.db2.gz DFEMWPXBGKNQGS-ROUUACIJSA-N 2 2 333.476 1.685 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C2)cc1 ZINC000870978929 596426043 /nfs/dbraw/zinc/42/60/43/596426043.db2.gz DFEMWPXBGKNQGS-ROUUACIJSA-N 2 2 333.476 1.685 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@]3(F)CC[NH2+]C3)C2)cc1 ZINC000870979373 596426652 /nfs/dbraw/zinc/42/66/52/596426652.db2.gz JLDRNISODLFWGL-SJLPKXTDSA-N 2 2 335.423 1.014 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@]3(F)CC[NH2+]C3)C2)cc1 ZINC000870979373 596426653 /nfs/dbraw/zinc/42/66/53/596426653.db2.gz JLDRNISODLFWGL-SJLPKXTDSA-N 2 2 335.423 1.014 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])C3CCC3)C2)cc1 ZINC000870979459 596427096 /nfs/dbraw/zinc/42/70/96/596427096.db2.gz LUFODVVQEODAQG-MSOLQXFVSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])C3CCC3)C2)cc1 ZINC000870979459 596427098 /nfs/dbraw/zinc/42/70/98/596427098.db2.gz LUFODVVQEODAQG-MSOLQXFVSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)C2)cc1 ZINC000870980015 596427643 /nfs/dbraw/zinc/42/76/43/596427643.db2.gz WGPLOXWMPKEBJH-GGPKGHCWSA-N 2 2 343.471 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)C2)cc1 ZINC000870980015 596427645 /nfs/dbraw/zinc/42/76/45/596427645.db2.gz WGPLOXWMPKEBJH-GGPKGHCWSA-N 2 2 343.471 1.312 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000870980182 596427845 /nfs/dbraw/zinc/42/78/45/596427845.db2.gz YTTWTCOUMCDTFH-LRDDRELGSA-N 2 2 325.416 1.403 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000870980182 596427847 /nfs/dbraw/zinc/42/78/47/596427847.db2.gz YTTWTCOUMCDTFH-LRDDRELGSA-N 2 2 325.416 1.403 20 0 EDADLP CN1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)Cc2ccc[nH+]c21 ZINC000871019933 596439978 /nfs/dbraw/zinc/43/99/78/596439978.db2.gz GUCWMXLOAZYNRA-KRWDZBQOSA-N 2 2 349.438 1.911 20 0 EDADLP CN1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)Cc2ccc[nH+]c21 ZINC000871019708 596440307 /nfs/dbraw/zinc/44/03/07/596440307.db2.gz DEWKNXYTXGEGDF-HNNXBMFYSA-N 2 2 332.354 1.838 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865061360 596460349 /nfs/dbraw/zinc/46/03/49/596460349.db2.gz YJEOKPYFUDQORD-MSOLQXFVSA-N 2 2 340.427 1.394 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000865061360 596460353 /nfs/dbraw/zinc/46/03/53/596460353.db2.gz YJEOKPYFUDQORD-MSOLQXFVSA-N 2 2 340.427 1.394 20 0 EDADLP c1cn(-c2ccc(C[NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)cc2)c[nH+]1 ZINC000865431834 596572544 /nfs/dbraw/zinc/57/25/44/596572544.db2.gz SSNKEQUIXDTVHH-SFHVURJKSA-N 2 2 338.415 1.933 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000863570615 596621071 /nfs/dbraw/zinc/62/10/71/596621071.db2.gz HWDBMIANRRAMNL-GJZGRUSLSA-N 2 2 343.830 1.442 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000863570615 596621072 /nfs/dbraw/zinc/62/10/72/596621072.db2.gz HWDBMIANRRAMNL-GJZGRUSLSA-N 2 2 343.830 1.442 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000865660406 596642170 /nfs/dbraw/zinc/64/21/70/596642170.db2.gz ZSMCWXDLAAZPHI-KBPBESRZSA-N 2 2 327.469 1.431 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000865660406 596642174 /nfs/dbraw/zinc/64/21/74/596642174.db2.gz ZSMCWXDLAAZPHI-KBPBESRZSA-N 2 2 327.469 1.431 20 0 EDADLP CC[NH2+][C@H](C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000863669450 596651812 /nfs/dbraw/zinc/65/18/12/596651812.db2.gz XKHCVHYOCDYONH-CYBMUJFWSA-N 2 2 343.431 1.795 20 0 EDADLP Cc1ccn(C[C@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865727541 596661585 /nfs/dbraw/zinc/66/15/85/596661585.db2.gz AWHYNSBDBZPDFC-YJBOKZPZSA-N 2 2 347.507 1.455 20 0 EDADLP Cc1ccn(C[C@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865727541 596661586 /nfs/dbraw/zinc/66/15/86/596661586.db2.gz AWHYNSBDBZPDFC-YJBOKZPZSA-N 2 2 347.507 1.455 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cn21 ZINC000868288171 596768265 /nfs/dbraw/zinc/76/82/65/596768265.db2.gz ZRBYJPFVIAKULC-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)cn21 ZINC000868288171 596768267 /nfs/dbraw/zinc/76/82/67/596768267.db2.gz ZRBYJPFVIAKULC-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@H+](C)C(C)(C)CC3)nc[nH+]2)C1 ZINC000866112458 596792705 /nfs/dbraw/zinc/79/27/05/596792705.db2.gz BSNQUMGVPUWKOM-LSDHHAIUSA-N 2 2 333.480 1.604 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[N@@H+](C)C(C)(C)CC3)nc[nH+]2)C1 ZINC000866112458 596792706 /nfs/dbraw/zinc/79/27/06/596792706.db2.gz BSNQUMGVPUWKOM-LSDHHAIUSA-N 2 2 333.480 1.604 20 0 EDADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCOC1 ZINC000872022118 596797796 /nfs/dbraw/zinc/79/77/96/596797796.db2.gz UDZRJDVNYZHMCC-QZTJIDSGSA-N 2 2 347.507 1.784 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(O)c1F ZINC000872035759 596798380 /nfs/dbraw/zinc/79/83/80/596798380.db2.gz QLYFMRTZKZQVNP-GJZGRUSLSA-N 2 2 337.439 1.588 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147019 596811135 /nfs/dbraw/zinc/81/11/35/596811135.db2.gz CCKZRLOAWONPSD-WZRBSPASSA-N 2 2 349.422 1.864 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147019 596811137 /nfs/dbraw/zinc/81/11/37/596811137.db2.gz CCKZRLOAWONPSD-WZRBSPASSA-N 2 2 349.422 1.864 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C[C@@H]1C(F)(F)F ZINC000872149724 596812916 /nfs/dbraw/zinc/81/29/16/596812916.db2.gz PTIWIQPCPCXVQE-KWCYVHTRSA-N 2 2 333.398 1.989 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C[C@@H]1C(F)(F)F ZINC000872149724 596812917 /nfs/dbraw/zinc/81/29/17/596812917.db2.gz PTIWIQPCPCXVQE-KWCYVHTRSA-N 2 2 333.398 1.989 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872151555 596813588 /nfs/dbraw/zinc/81/35/88/596813588.db2.gz GDYWNHJIPKVXEN-CKFHNAJUSA-N 2 2 347.459 1.422 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000872151555 596813589 /nfs/dbraw/zinc/81/35/89/596813589.db2.gz GDYWNHJIPKVXEN-CKFHNAJUSA-N 2 2 347.459 1.422 20 0 EDADLP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000872201620 596833156 /nfs/dbraw/zinc/83/31/56/596833156.db2.gz GOVKVOKUHURAOB-CABCVRRESA-N 2 2 332.366 1.790 20 0 EDADLP CO[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000872201620 596833157 /nfs/dbraw/zinc/83/31/57/596833157.db2.gz GOVKVOKUHURAOB-CABCVRRESA-N 2 2 332.366 1.790 20 0 EDADLP Cc1cc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc(N2CCCC2)[nH+]1 ZINC000868441397 596838064 /nfs/dbraw/zinc/83/80/64/596838064.db2.gz UAPUMOOMHUKPPO-SNAWJCMRSA-N 2 2 344.459 1.495 20 0 EDADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412644 596880073 /nfs/dbraw/zinc/88/00/73/596880073.db2.gz AQZRZAZGHNQUEP-CVEARBPZSA-N 2 2 325.497 1.602 20 0 EDADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412644 596880077 /nfs/dbraw/zinc/88/00/77/596880077.db2.gz AQZRZAZGHNQUEP-CVEARBPZSA-N 2 2 325.497 1.602 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3cn4cc(F)ccc4[nH+]3)C2)C1 ZINC000868573061 596886949 /nfs/dbraw/zinc/88/69/49/596886949.db2.gz YBYRBPKNVFJHML-GOSISDBHSA-N 2 2 330.407 1.960 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3cn4cc(F)ccc4[nH+]3)C2)C1 ZINC000868573061 596886950 /nfs/dbraw/zinc/88/69/50/596886950.db2.gz YBYRBPKNVFJHML-GOSISDBHSA-N 2 2 330.407 1.960 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000864421716 596888467 /nfs/dbraw/zinc/88/84/67/596888467.db2.gz NAQADNFUKXGPHU-QGZVFWFLSA-N 2 2 338.496 1.415 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000864421716 596888469 /nfs/dbraw/zinc/88/84/69/596888469.db2.gz NAQADNFUKXGPHU-QGZVFWFLSA-N 2 2 338.496 1.415 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c2[nH+]ccn21 ZINC000875646470 596932112 /nfs/dbraw/zinc/93/21/12/596932112.db2.gz VIJRBSSBWVSKGD-GJZGRUSLSA-N 2 2 347.463 1.643 20 0 EDADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CN1CC2(COC2)CC1=O ZINC000872587905 596977865 /nfs/dbraw/zinc/97/78/65/596977865.db2.gz YWPDBWOSZALCMN-SFHVURJKSA-N 2 2 343.471 1.647 20 0 EDADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CN1CC2(COC2)CC1=O ZINC000872587905 596977869 /nfs/dbraw/zinc/97/78/69/596977869.db2.gz YWPDBWOSZALCMN-SFHVURJKSA-N 2 2 343.471 1.647 20 0 EDADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1CC2(COC2)CC1=O ZINC000872587905 596977872 /nfs/dbraw/zinc/97/78/72/596977872.db2.gz YWPDBWOSZALCMN-SFHVURJKSA-N 2 2 343.471 1.647 20 0 EDADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN1CC2(COC2)CC1=O ZINC000872587905 596977875 /nfs/dbraw/zinc/97/78/75/596977875.db2.gz YWPDBWOSZALCMN-SFHVURJKSA-N 2 2 343.471 1.647 20 0 EDADLP COC(=O)[C@]12CCC[C@H]1[N@H+](CN1C[C@@H](c3c[nH+]cn3C)CC1=O)CC2 ZINC000872827940 597088779 /nfs/dbraw/zinc/08/87/79/597088779.db2.gz PFDWDQHFLIPFSO-JOQOYGCGSA-N 2 2 346.431 1.111 20 0 EDADLP COC(=O)[C@]12CCC[C@H]1[N@@H+](CN1C[C@@H](c3c[nH+]cn3C)CC1=O)CC2 ZINC000872827940 597088780 /nfs/dbraw/zinc/08/87/80/597088780.db2.gz PFDWDQHFLIPFSO-JOQOYGCGSA-N 2 2 346.431 1.111 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000876206129 597135528 /nfs/dbraw/zinc/13/55/28/597135528.db2.gz QKDZODDYWAZNDS-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000876206129 597135532 /nfs/dbraw/zinc/13/55/32/597135532.db2.gz QKDZODDYWAZNDS-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876206129 597135536 /nfs/dbraw/zinc/13/55/36/597135536.db2.gz QKDZODDYWAZNDS-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876206129 597135541 /nfs/dbraw/zinc/13/55/41/597135541.db2.gz QKDZODDYWAZNDS-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000876205979 597135771 /nfs/dbraw/zinc/13/57/71/597135771.db2.gz YYCYTKROBVOOEP-WMZOPIPTSA-N 2 2 346.475 1.319 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000876205979 597135772 /nfs/dbraw/zinc/13/57/72/597135772.db2.gz YYCYTKROBVOOEP-WMZOPIPTSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000876205979 597135777 /nfs/dbraw/zinc/13/57/77/597135777.db2.gz YYCYTKROBVOOEP-WMZOPIPTSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000876205979 597135780 /nfs/dbraw/zinc/13/57/80/597135780.db2.gz YYCYTKROBVOOEP-WMZOPIPTSA-N 2 2 346.475 1.319 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c(C)[nH+]1 ZINC000873102242 597195390 /nfs/dbraw/zinc/19/53/90/597195390.db2.gz NFEABNBJPBCIHC-MRXNPFEDSA-N 2 2 338.411 1.468 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ncc(Cl)s3)cn2)CC1 ZINC000873166063 597216486 /nfs/dbraw/zinc/21/64/86/597216486.db2.gz SQGCLZSUGZVZHQ-UHFFFAOYSA-N 2 2 338.868 1.628 20 0 EDADLP CCN(CC)C(=O)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873203083 597226185 /nfs/dbraw/zinc/22/61/85/597226185.db2.gz OKMVQGRCYOHNHT-UHFFFAOYSA-N 2 2 336.505 1.973 20 0 EDADLP Cn1ncc(I)c1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000873276533 597245474 /nfs/dbraw/zinc/24/54/74/597245474.db2.gz QBFQDSXIGNEUQV-QWRGUYRKSA-N 2 2 348.232 1.774 20 0 EDADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000873277486 597246245 /nfs/dbraw/zinc/24/62/45/597246245.db2.gz SYEVNMOQDTYBNA-WCBMZHEXSA-N 2 2 334.205 1.242 20 0 EDADLP c1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nnn1C[C@@H]1CCCO1 ZINC000876576588 597246877 /nfs/dbraw/zinc/24/68/77/597246877.db2.gz MHCGUPGECFUBDK-SFHVURJKSA-N 2 2 349.479 1.001 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873316424 597254716 /nfs/dbraw/zinc/25/47/16/597254716.db2.gz NTRAXAHNGONDBB-KBXCAEBGSA-N 2 2 345.447 1.300 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CCC(C)([NH+](C)C)CC2)CCO1 ZINC000875193702 597322923 /nfs/dbraw/zinc/32/29/23/597322923.db2.gz DNHQIYCDGDHXDZ-HPUBIQBYSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CCC(C)([NH+](C)C)CC2)CCO1 ZINC000875193702 597322928 /nfs/dbraw/zinc/32/29/28/597322928.db2.gz DNHQIYCDGDHXDZ-HPUBIQBYSA-N 2 2 326.485 1.269 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H](F)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000876785005 597339286 /nfs/dbraw/zinc/33/92/86/597339286.db2.gz NNKMGTWUCYGJOI-KBXCAEBGSA-N 2 2 348.466 1.785 20 0 EDADLP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876893405 597372631 /nfs/dbraw/zinc/37/26/31/597372631.db2.gz OTXHCNNVPOVXCM-ZNMIVQPWSA-N 2 2 342.846 1.229 20 0 EDADLP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876893405 597372635 /nfs/dbraw/zinc/37/26/35/597372635.db2.gz OTXHCNNVPOVXCM-ZNMIVQPWSA-N 2 2 342.846 1.229 20 0 EDADLP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876893402 597373015 /nfs/dbraw/zinc/37/30/15/597373015.db2.gz OTXHCNNVPOVXCM-SOUVJXGZSA-N 2 2 342.846 1.229 20 0 EDADLP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876893402 597373020 /nfs/dbraw/zinc/37/30/20/597373020.db2.gz OTXHCNNVPOVXCM-SOUVJXGZSA-N 2 2 342.846 1.229 20 0 EDADLP CC[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CCC[NH2+]1 ZINC000877249591 597479476 /nfs/dbraw/zinc/47/94/76/597479476.db2.gz YHINECFZJRLZTM-AZUAARDMSA-N 2 2 345.487 1.844 20 0 EDADLP CC[C@]1(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CCC[NH2+]1 ZINC000877249591 597479477 /nfs/dbraw/zinc/47/94/77/597479477.db2.gz YHINECFZJRLZTM-AZUAARDMSA-N 2 2 345.487 1.844 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C[C@@H]1C(F)(F)F ZINC000877356615 597500153 /nfs/dbraw/zinc/50/01/53/597500153.db2.gz HDFDQIQYKHERHB-LWINAJNOSA-N 2 2 337.292 1.560 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C(F)(F)F ZINC000877357842 597500460 /nfs/dbraw/zinc/50/04/60/597500460.db2.gz AJSPPGIFTGSHHP-JQWIXIFHSA-N 2 2 339.321 1.477 20 0 EDADLP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000877389353 597507658 /nfs/dbraw/zinc/50/76/58/597507658.db2.gz BRUZNZCQWXDTOU-HKUYNNGSSA-N 2 2 329.444 1.533 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1F ZINC000877746484 597552726 /nfs/dbraw/zinc/55/27/26/597552726.db2.gz APRFYGQCHQPWRY-UHFFFAOYSA-N 2 2 349.450 1.824 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000883055810 597634096 /nfs/dbraw/zinc/63/40/96/597634096.db2.gz TYPJZYFWDPAYEE-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000883055810 597634098 /nfs/dbraw/zinc/63/40/98/597634098.db2.gz TYPJZYFWDPAYEE-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000883055810 597634101 /nfs/dbraw/zinc/63/41/01/597634101.db2.gz TYPJZYFWDPAYEE-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP CC[NH+]1CC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000883055810 597634103 /nfs/dbraw/zinc/63/41/03/597634103.db2.gz TYPJZYFWDPAYEE-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573511 597637001 /nfs/dbraw/zinc/63/70/01/597637001.db2.gz YBXZZKCXFBIEPM-AYOQOUSVSA-N 2 2 327.472 1.986 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879573511 597637003 /nfs/dbraw/zinc/63/70/03/597637003.db2.gz YBXZZKCXFBIEPM-AYOQOUSVSA-N 2 2 327.472 1.986 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879573511 597637005 /nfs/dbraw/zinc/63/70/05/597637005.db2.gz YBXZZKCXFBIEPM-AYOQOUSVSA-N 2 2 327.472 1.986 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879573511 597637007 /nfs/dbraw/zinc/63/70/07/597637007.db2.gz YBXZZKCXFBIEPM-AYOQOUSVSA-N 2 2 327.472 1.986 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591922 597648366 /nfs/dbraw/zinc/64/83/66/597648366.db2.gz VGRIOCRMZLHNCZ-IBGZPJMESA-N 2 2 344.503 1.528 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000878675359 597675739 /nfs/dbraw/zinc/67/57/39/597675739.db2.gz OQTMSIDZPGAYAH-NWDGAFQWSA-N 2 2 330.354 1.305 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000878675359 597675742 /nfs/dbraw/zinc/67/57/42/597675742.db2.gz OQTMSIDZPGAYAH-NWDGAFQWSA-N 2 2 330.354 1.305 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCC(C)(C)CO3)C2)CC1 ZINC000878823660 597724676 /nfs/dbraw/zinc/72/46/76/597724676.db2.gz COUAPJCQQUIQDA-WBVHZDCISA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCC(C)(C)CO3)C2)CC1 ZINC000878823660 597724678 /nfs/dbraw/zinc/72/46/78/597724678.db2.gz COUAPJCQQUIQDA-WBVHZDCISA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261982 597886323 /nfs/dbraw/zinc/88/63/23/597886323.db2.gz QDMYFWZHLZXZMJ-KGLIPLIRSA-N 2 2 333.436 1.215 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261982 597886324 /nfs/dbraw/zinc/88/63/24/597886324.db2.gz QDMYFWZHLZXZMJ-KGLIPLIRSA-N 2 2 333.436 1.215 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261981 597886383 /nfs/dbraw/zinc/88/63/83/597886383.db2.gz QDMYFWZHLZXZMJ-KBPBESRZSA-N 2 2 333.436 1.215 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261981 597886384 /nfs/dbraw/zinc/88/63/84/597886384.db2.gz QDMYFWZHLZXZMJ-KBPBESRZSA-N 2 2 333.436 1.215 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261492 597886427 /nfs/dbraw/zinc/88/64/27/597886427.db2.gz LEAZBQHXSPCNDZ-CVEARBPZSA-N 2 2 334.464 1.523 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261492 597886429 /nfs/dbraw/zinc/88/64/29/597886429.db2.gz LEAZBQHXSPCNDZ-CVEARBPZSA-N 2 2 334.464 1.523 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](CF)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880291160 597893346 /nfs/dbraw/zinc/89/33/46/597893346.db2.gz CAXKYVCWDSHBJX-INIZCTEOSA-N 2 2 335.423 1.749 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](CF)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000880291160 597893349 /nfs/dbraw/zinc/89/33/49/597893349.db2.gz CAXKYVCWDSHBJX-INIZCTEOSA-N 2 2 335.423 1.749 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000880415309 597926556 /nfs/dbraw/zinc/92/65/56/597926556.db2.gz IXGQLBKKPBGTJX-HDICACEKSA-N 2 2 341.540 1.918 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000880415309 597926557 /nfs/dbraw/zinc/92/65/57/597926557.db2.gz IXGQLBKKPBGTJX-HDICACEKSA-N 2 2 341.540 1.918 20 0 EDADLP O=C1NCC[C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]12 ZINC000880523431 597954211 /nfs/dbraw/zinc/95/42/11/597954211.db2.gz FPRBEMVIEDSMEF-RBUKOAKNSA-N 2 2 343.471 1.619 20 0 EDADLP O=C1NCC[C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)[C@@H]12 ZINC000880523431 597954212 /nfs/dbraw/zinc/95/42/12/597954212.db2.gz FPRBEMVIEDSMEF-RBUKOAKNSA-N 2 2 343.471 1.619 20 0 EDADLP c1c[nH+]c(C2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)[nH]1 ZINC000738420170 599356326 /nfs/dbraw/zinc/35/63/26/599356326.db2.gz XNOLBCWNWNQDME-UHFFFAOYSA-N 2 2 339.403 1.848 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000939857384 699996602 /nfs/dbraw/zinc/99/66/02/699996602.db2.gz SFVLZRLRLLGTDQ-DOMZBBRYSA-N 2 2 345.472 1.854 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC000992837310 695396383 /nfs/dbraw/zinc/39/63/83/695396383.db2.gz QLLNVVLXAZEQHS-VHDGCEQUSA-N 2 2 344.419 1.061 20 0 EDADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939855334 699993324 /nfs/dbraw/zinc/99/33/24/699993324.db2.gz DONQSMIHVVVQIJ-WMLDXEAASA-N 2 2 330.407 1.967 20 0 EDADLP Cc1ccccc1C[NH+]1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001031083832 695491426 /nfs/dbraw/zinc/49/14/26/695491426.db2.gz VFIQVMCEBWDSEU-UHFFFAOYSA-N 2 2 341.459 1.367 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2c(C)noc2C)[C@@H]1C ZINC000993604190 696254211 /nfs/dbraw/zinc/25/42/11/696254211.db2.gz CMTHQARBBMWNNV-PBHICJAKSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cnoc2C)[C@@H]1C ZINC000993611894 696258412 /nfs/dbraw/zinc/25/84/12/696258412.db2.gz IIWXQFBWMSWHLV-CJNGLKHVSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cnoc2C)[C@@H]1C ZINC000993611894 696258413 /nfs/dbraw/zinc/25/84/13/696258413.db2.gz IIWXQFBWMSWHLV-CJNGLKHVSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccns2)[C@H]1C ZINC000993611808 696258470 /nfs/dbraw/zinc/25/84/70/696258470.db2.gz HZDUOGXODSRULS-DZGCQCFKSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccns2)[C@H]1C ZINC000993611808 696258473 /nfs/dbraw/zinc/25/84/73/696258473.db2.gz HZDUOGXODSRULS-DZGCQCFKSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)cn2)[C@@H]1C ZINC000993588378 696265334 /nfs/dbraw/zinc/26/53/34/696265334.db2.gz JFXVSZJCZZITCV-NVXWUHKLSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)cn2)[C@@H]1C ZINC000993588378 696265335 /nfs/dbraw/zinc/26/53/35/696265335.db2.gz JFXVSZJCZZITCV-NVXWUHKLSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2nc(C)oc2C)[C@H]1C ZINC000993624915 696289207 /nfs/dbraw/zinc/28/92/07/696289207.db2.gz RRAFMKYCKNMVKP-BBRMVZONSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2nc(C)oc2C)[C@H]1C ZINC000993624915 696289209 /nfs/dbraw/zinc/28/92/09/696289209.db2.gz RRAFMKYCKNMVKP-BBRMVZONSA-N 2 2 345.447 1.966 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000993815771 696388264 /nfs/dbraw/zinc/38/82/64/696388264.db2.gz JEQHVGWLAKVFEV-GDBMZVCRSA-N 2 2 347.463 1.036 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000993815771 696388267 /nfs/dbraw/zinc/38/82/67/696388267.db2.gz JEQHVGWLAKVFEV-GDBMZVCRSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cnnn1C ZINC000993930503 696449193 /nfs/dbraw/zinc/44/91/93/696449193.db2.gz QJZMQKJPFANYPF-YOEHRIQHSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1cnnn1C ZINC000993930503 696449195 /nfs/dbraw/zinc/44/91/95/696449195.db2.gz QJZMQKJPFANYPF-YOEHRIQHSA-N 2 2 348.495 1.016 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)on1 ZINC000994257061 696664578 /nfs/dbraw/zinc/66/45/78/696664578.db2.gz SFSNADDFEOJGOX-HIFRSBDPSA-N 2 2 348.447 1.248 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)on1 ZINC000994257061 696664580 /nfs/dbraw/zinc/66/45/80/696664580.db2.gz SFSNADDFEOJGOX-HIFRSBDPSA-N 2 2 348.447 1.248 20 0 EDADLP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)cn1 ZINC000994408130 696831332 /nfs/dbraw/zinc/83/13/32/696831332.db2.gz NFSLGNLIFDCBFR-RDJZCZTQSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)cn1 ZINC000994408130 696831333 /nfs/dbraw/zinc/83/13/33/696831333.db2.gz NFSLGNLIFDCBFR-RDJZCZTQSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000994419547 696835061 /nfs/dbraw/zinc/83/50/61/696835061.db2.gz IWXANZOABVNSPX-SUMWQHHRSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000994419547 696835064 /nfs/dbraw/zinc/83/50/64/696835064.db2.gz IWXANZOABVNSPX-SUMWQHHRSA-N 2 2 345.422 1.895 20 0 EDADLP CC[N@@H+](Cc1ccccc1C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000917436408 697015758 /nfs/dbraw/zinc/01/57/58/697015758.db2.gz HHYPFWAGLWUBGH-UHFFFAOYSA-N 2 2 344.459 1.791 20 0 EDADLP CC[N@H+](Cc1ccccc1C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000917436408 697015761 /nfs/dbraw/zinc/01/57/61/697015761.db2.gz HHYPFWAGLWUBGH-UHFFFAOYSA-N 2 2 344.459 1.791 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@H]2CCc3ccccc3C2)C1 ZINC001031391430 697018991 /nfs/dbraw/zinc/01/89/91/697018991.db2.gz GCVMIRUYMGROFJ-INIZCTEOSA-N 2 2 338.455 1.797 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+]([C@H](C)c3ccccc3C)C2)C1 ZINC001031418197 697066500 /nfs/dbraw/zinc/06/65/00/697066500.db2.gz IQWIFFNAYGTWGR-CRAIPNDOSA-N 2 2 331.460 1.577 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+]([C@H](C)c3ccccc3C)C2)C1 ZINC001031418197 697066503 /nfs/dbraw/zinc/06/65/03/697066503.db2.gz IQWIFFNAYGTWGR-CRAIPNDOSA-N 2 2 331.460 1.577 20 0 EDADLP Cn1c[nH+]cc1CN1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001031433378 697095242 /nfs/dbraw/zinc/09/52/42/697095242.db2.gz JOBIZWUCJMYLSQ-UHFFFAOYSA-N 2 2 327.432 1.096 20 0 EDADLP Cc1cc(N2CC[C@H]([NH2+]C3CC[NH+](CCC(C)C)CC3)C2=O)n(C)n1 ZINC000925471965 697331190 /nfs/dbraw/zinc/33/11/90/697331190.db2.gz FOZUYIJRLAUXDI-KRWDZBQOSA-N 2 2 347.507 1.934 20 0 EDADLP Cc1csc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)n1 ZINC001031668566 697461121 /nfs/dbraw/zinc/46/11/21/697461121.db2.gz JVLAXFODIANSGA-CVEARBPZSA-N 2 2 348.516 1.874 20 0 EDADLP Cc1csc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)n1 ZINC001031668566 697461124 /nfs/dbraw/zinc/46/11/24/697461124.db2.gz JVLAXFODIANSGA-CVEARBPZSA-N 2 2 348.516 1.874 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669069 697464216 /nfs/dbraw/zinc/46/42/16/697464216.db2.gz XABPUJYEZSYFJF-FUHWJXTLSA-N 2 2 346.450 1.643 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669069 697464218 /nfs/dbraw/zinc/46/42/18/697464218.db2.gz XABPUJYEZSYFJF-FUHWJXTLSA-N 2 2 346.450 1.643 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](C[C@@H]4CCOC4)C3)ccn12 ZINC001031671431 697472913 /nfs/dbraw/zinc/47/29/13/697472913.db2.gz WECMSYZEMQWWFK-AWEZNQCLSA-N 2 2 328.416 1.341 20 0 EDADLP O=C(NCC1C[NH+](Cc2cccc(Cl)n2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675533 697485659 /nfs/dbraw/zinc/48/56/59/697485659.db2.gz KYRTVOKYEKFJGN-INIZCTEOSA-N 2 2 348.878 1.625 20 0 EDADLP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001031677374 697494947 /nfs/dbraw/zinc/49/49/47/697494947.db2.gz IVGDBKRGJGNVTN-BFYDXBDKSA-N 2 2 346.475 1.237 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)c3cc([C@@H]4CCC[N@@H+]4C)n[nH]3)C2)C1 ZINC001031686717 697517495 /nfs/dbraw/zinc/51/74/95/697517495.db2.gz SKTXFWZIAHFAMS-JRSKDTKFSA-N 2 2 345.491 1.884 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)c3cc([C@@H]4CCC[N@H+]4C)n[nH]3)C2)C1 ZINC001031686717 697517497 /nfs/dbraw/zinc/51/74/97/697517497.db2.gz SKTXFWZIAHFAMS-JRSKDTKFSA-N 2 2 345.491 1.884 20 0 EDADLP CC[C@H](C(=O)N1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)[NH+](C)C ZINC000943409727 698217251 /nfs/dbraw/zinc/21/72/51/698217251.db2.gz VDVSIIUAUXHZPB-GDBMZVCRSA-N 2 2 349.479 1.098 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)C3CC[NH+](C(C)C)CC3)C2)on1 ZINC001032094787 698601870 /nfs/dbraw/zinc/60/18/70/698601870.db2.gz OBJDEHQJTAGGHL-UHFFFAOYSA-N 2 2 334.464 1.651 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995154091 701555870 /nfs/dbraw/zinc/55/58/70/701555870.db2.gz RJZKTVUCMDSKNZ-AAEUAGOBSA-N 2 2 326.391 1.872 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC000069001532 699024668 /nfs/dbraw/zinc/02/46/68/699024668.db2.gz MBEFIHYUIGWITN-UHFFFAOYSA-N 2 2 349.479 1.079 20 0 EDADLP CC(C)CC[NH+]1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000941509755 701558940 /nfs/dbraw/zinc/55/89/40/701558940.db2.gz VNQUQVLCDBJVTG-UHFFFAOYSA-N 2 2 333.480 1.148 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766079 699055631 /nfs/dbraw/zinc/05/56/31/699055631.db2.gz ATISBLOJQWMANL-HUUCEWRRSA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031766079 699055633 /nfs/dbraw/zinc/05/56/33/699055633.db2.gz ATISBLOJQWMANL-HUUCEWRRSA-N 2 2 349.504 1.411 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031766364 699060946 /nfs/dbraw/zinc/06/09/46/699060946.db2.gz HEILHVIGPKJLHA-GOEBONIOSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031766364 699060949 /nfs/dbraw/zinc/06/09/49/699060949.db2.gz HEILHVIGPKJLHA-GOEBONIOSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031783224 699209196 /nfs/dbraw/zinc/20/91/96/699209196.db2.gz UYVBRUZWTUTJOE-SJORKVTESA-N 2 2 346.475 1.453 20 0 EDADLP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783633 699210932 /nfs/dbraw/zinc/21/09/32/699210932.db2.gz DASMOUMRSOKSPD-INIZCTEOSA-N 2 2 339.443 1.397 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031783976 699213115 /nfs/dbraw/zinc/21/31/15/699213115.db2.gz JJDHTOYGXHNCRV-HOTGVXAUSA-N 2 2 332.448 1.063 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1csnn1 ZINC000939132971 699217127 /nfs/dbraw/zinc/21/71/27/699217127.db2.gz MDBCFBSRHYAHNR-GXTWGEPZSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1csnn1 ZINC000939132971 699217128 /nfs/dbraw/zinc/21/71/28/699217128.db2.gz MDBCFBSRHYAHNR-GXTWGEPZSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939134003 699219187 /nfs/dbraw/zinc/21/91/87/699219187.db2.gz VRUZHBBECRVCKE-JSGCOSHPSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939134003 699219189 /nfs/dbraw/zinc/21/91/89/699219189.db2.gz VRUZHBBECRVCKE-JSGCOSHPSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995160751 701575074 /nfs/dbraw/zinc/57/50/74/701575074.db2.gz NGIOWDRBMZCQME-LSDHHAIUSA-N 2 2 345.447 1.642 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939211429 699359720 /nfs/dbraw/zinc/35/97/20/699359720.db2.gz RSOPQLJVVDXSPB-FZMZJTMJSA-N 2 2 333.823 1.637 20 0 EDADLP COCc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)c1 ZINC000939211644 699359968 /nfs/dbraw/zinc/35/99/68/699359968.db2.gz UHXKIWMVEAZFJV-KBXCAEBGSA-N 2 2 342.443 1.735 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939212029 699360896 /nfs/dbraw/zinc/36/08/96/699360896.db2.gz WNCUXSWYNCKSLJ-NHYWBVRUSA-N 2 2 333.823 1.637 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C)no1 ZINC000939237031 699406333 /nfs/dbraw/zinc/40/63/33/699406333.db2.gz UDEPAEGAFOYQNL-CJNGLKHVSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939411415 699565043 /nfs/dbraw/zinc/56/50/43/699565043.db2.gz DFQMRKZEIWUBLT-IINYFYTJSA-N 2 2 333.461 1.662 20 0 EDADLP CC(C)CC[NH+]1CC(N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC000941640951 701599212 /nfs/dbraw/zinc/59/92/12/701599212.db2.gz KSNIJCDPSWSNOE-UHFFFAOYSA-N 2 2 347.507 1.562 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939533626 699671527 /nfs/dbraw/zinc/67/15/27/699671527.db2.gz CPHFDOVAMKNTLM-LRDDRELGSA-N 2 2 347.850 1.648 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cc1 ZINC000939534387 699675126 /nfs/dbraw/zinc/67/51/26/699675126.db2.gz JSKPNSYEFRVEBP-KDOFPFPSSA-N 2 2 342.443 1.608 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)co1 ZINC000939550706 699699956 /nfs/dbraw/zinc/69/99/56/699699956.db2.gz OVBRWXMFDPRELO-WBMJQRKESA-N 2 2 343.431 1.694 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)c1 ZINC000939621538 699758010 /nfs/dbraw/zinc/75/80/10/699758010.db2.gz AZFITSIPRILULA-SCLBCKFNSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnccc2C)C1 ZINC000939621989 699758439 /nfs/dbraw/zinc/75/84/39/699758439.db2.gz HFMUVFXVLLBWSD-SUMWQHHRSA-N 2 2 327.432 1.601 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC000939752764 699902018 /nfs/dbraw/zinc/90/20/18/699902018.db2.gz ABPNFRVEHXCIRE-DZGCQCFKSA-N 2 2 345.447 1.940 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc(CC2CC2)no1 ZINC000939753516 699903182 /nfs/dbraw/zinc/90/31/82/699903182.db2.gz GEOMLYXPBJJNMF-UKRRQHHQSA-N 2 2 347.463 1.054 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940228221 700393268 /nfs/dbraw/zinc/39/32/68/700393268.db2.gz KERJJRFPVTUXRE-UHFFFAOYSA-N 2 2 347.488 1.980 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940229058 700394876 /nfs/dbraw/zinc/39/48/76/700394876.db2.gz YQIFHHSQHHVKGB-UHFFFAOYSA-N 2 2 348.476 1.375 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000083114178 700406351 /nfs/dbraw/zinc/40/63/51/700406351.db2.gz AWUOISLACDHFGT-MRXNPFEDSA-N 2 2 346.475 1.730 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2c3ccccc3n(C)c2=O)C1 ZINC000083114178 700406352 /nfs/dbraw/zinc/40/63/52/700406352.db2.gz AWUOISLACDHFGT-MRXNPFEDSA-N 2 2 346.475 1.730 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)cn1 ZINC000940426347 700620086 /nfs/dbraw/zinc/62/00/86/700620086.db2.gz RBOQWBWWTAZGCX-UHFFFAOYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940441657 700643405 /nfs/dbraw/zinc/64/34/05/700643405.db2.gz NEVNHXMUZXBOJI-UHFFFAOYSA-N 2 2 330.436 1.165 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nn1C ZINC000940624809 700786070 /nfs/dbraw/zinc/78/60/70/700786070.db2.gz KATKRFBEYXMJMR-SJORKVTESA-N 2 2 347.507 1.539 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nn1C ZINC000940624809 700786072 /nfs/dbraw/zinc/78/60/72/700786072.db2.gz KATKRFBEYXMJMR-SJORKVTESA-N 2 2 347.507 1.539 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)nn1C ZINC000940624809 700786074 /nfs/dbraw/zinc/78/60/74/700786074.db2.gz KATKRFBEYXMJMR-SJORKVTESA-N 2 2 347.507 1.539 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)nn1C ZINC000940624809 700786076 /nfs/dbraw/zinc/78/60/76/700786076.db2.gz KATKRFBEYXMJMR-SJORKVTESA-N 2 2 347.507 1.539 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940626083 700788307 /nfs/dbraw/zinc/78/83/07/700788307.db2.gz ZAFZPLMSPWBBLG-IRXDYDNUSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940626083 700788309 /nfs/dbraw/zinc/78/83/09/700788309.db2.gz ZAFZPLMSPWBBLG-IRXDYDNUSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940626083 700788311 /nfs/dbraw/zinc/78/83/11/700788311.db2.gz ZAFZPLMSPWBBLG-IRXDYDNUSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940626083 700788313 /nfs/dbraw/zinc/78/83/13/700788313.db2.gz ZAFZPLMSPWBBLG-IRXDYDNUSA-N 2 2 347.507 1.714 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940842353 700938321 /nfs/dbraw/zinc/93/83/21/700938321.db2.gz DRQSVSNQSLMPSS-LSDHHAIUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940842353 700938322 /nfs/dbraw/zinc/93/83/22/700938322.db2.gz DRQSVSNQSLMPSS-LSDHHAIUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C(C)(C)C2)n1 ZINC000940842353 700938323 /nfs/dbraw/zinc/93/83/23/700938323.db2.gz DRQSVSNQSLMPSS-LSDHHAIUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C(C)(C)C2)n1 ZINC000940842353 700938324 /nfs/dbraw/zinc/93/83/24/700938324.db2.gz DRQSVSNQSLMPSS-LSDHHAIUSA-N 2 2 349.479 1.579 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941027562 701067638 /nfs/dbraw/zinc/06/76/38/701067638.db2.gz VYTFZPNWUBLYTJ-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941027562 701067640 /nfs/dbraw/zinc/06/76/40/701067640.db2.gz VYTFZPNWUBLYTJ-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941027562 701067641 /nfs/dbraw/zinc/06/76/41/701067641.db2.gz VYTFZPNWUBLYTJ-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941027562 701067642 /nfs/dbraw/zinc/06/76/42/701067642.db2.gz VYTFZPNWUBLYTJ-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995119297 701104246 /nfs/dbraw/zinc/10/42/46/701104246.db2.gz WRADUGLKPMFXMH-GDBMZVCRSA-N 2 2 327.432 1.730 20 0 EDADLP CC1(C)C[N@H+](C[C@H]2CCCCO2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062148 701109710 /nfs/dbraw/zinc/10/97/10/701109710.db2.gz WLUUBIQGGFOPQO-CVEARBPZSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)C[N@@H+](C[C@H]2CCCCO2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062148 701109712 /nfs/dbraw/zinc/10/97/12/701109712.db2.gz WLUUBIQGGFOPQO-CVEARBPZSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)o1 ZINC000941165966 701376762 /nfs/dbraw/zinc/37/67/62/701376762.db2.gz CGMKCXRNVYFARO-AWEZNQCLSA-N 2 2 347.463 1.191 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)o1 ZINC000941165966 701376764 /nfs/dbraw/zinc/37/67/64/701376764.db2.gz CGMKCXRNVYFARO-AWEZNQCLSA-N 2 2 347.463 1.191 20 0 EDADLP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)C2)cn1 ZINC000941167680 701378775 /nfs/dbraw/zinc/37/87/75/701378775.db2.gz YKDITELVDXEDFG-MRXNPFEDSA-N 2 2 344.463 1.113 20 0 EDADLP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)C2)cn1 ZINC000941167680 701378777 /nfs/dbraw/zinc/37/87/77/701378777.db2.gz YKDITELVDXEDFG-MRXNPFEDSA-N 2 2 344.463 1.113 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215786 701402022 /nfs/dbraw/zinc/40/20/22/701402022.db2.gz AYUWDPOGAYWTDJ-UKRRQHHQSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941215786 701402023 /nfs/dbraw/zinc/40/20/23/701402023.db2.gz AYUWDPOGAYWTDJ-UKRRQHHQSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215786 701402024 /nfs/dbraw/zinc/40/20/24/701402024.db2.gz AYUWDPOGAYWTDJ-UKRRQHHQSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941215786 701402025 /nfs/dbraw/zinc/40/20/25/701402025.db2.gz AYUWDPOGAYWTDJ-UKRRQHHQSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941216147 701402466 /nfs/dbraw/zinc/40/24/66/701402466.db2.gz CJRIOUCBOMNDAX-CVEARBPZSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941216147 701402467 /nfs/dbraw/zinc/40/24/67/701402467.db2.gz CJRIOUCBOMNDAX-CVEARBPZSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941216147 701402468 /nfs/dbraw/zinc/40/24/68/701402468.db2.gz CJRIOUCBOMNDAX-CVEARBPZSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941216147 701402469 /nfs/dbraw/zinc/40/24/69/701402469.db2.gz CJRIOUCBOMNDAX-CVEARBPZSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)CC1(C)C ZINC000941222984 701413394 /nfs/dbraw/zinc/41/33/94/701413394.db2.gz BLNPSOQWTHCLFW-MRXNPFEDSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)CC1(C)C ZINC000941222984 701413395 /nfs/dbraw/zinc/41/33/95/701413395.db2.gz BLNPSOQWTHCLFW-MRXNPFEDSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000941223735 701414040 /nfs/dbraw/zinc/41/40/40/701414040.db2.gz KFMANXRFNDQGPF-AWEZNQCLSA-N 2 2 348.476 1.460 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000941223735 701414041 /nfs/dbraw/zinc/41/40/41/701414041.db2.gz KFMANXRFNDQGPF-AWEZNQCLSA-N 2 2 348.476 1.460 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)cn1 ZINC001032128960 701804498 /nfs/dbraw/zinc/80/44/98/701804498.db2.gz NHGWRPUMOUPXIZ-FUHWJXTLSA-N 2 2 345.491 1.453 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000999177233 706619821 /nfs/dbraw/zinc/61/98/21/706619821.db2.gz XKONSZSBWLSWPF-GJZGRUSLSA-N 2 2 347.463 1.054 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1C ZINC000944444102 702029283 /nfs/dbraw/zinc/02/92/83/702029283.db2.gz IODVXCJQHAZHST-CJNGLKHVSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C[C@H]1C ZINC000944444102 702029289 /nfs/dbraw/zinc/02/92/89/702029289.db2.gz IODVXCJQHAZHST-CJNGLKHVSA-N 2 2 327.432 1.682 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031977798 702036825 /nfs/dbraw/zinc/03/68/25/702036825.db2.gz IRAYWUYNEZVWKZ-DOMZBBRYSA-N 2 2 336.867 1.481 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031977798 702036830 /nfs/dbraw/zinc/03/68/30/702036830.db2.gz IRAYWUYNEZVWKZ-DOMZBBRYSA-N 2 2 336.867 1.481 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC000995183726 702114114 /nfs/dbraw/zinc/11/41/14/702114114.db2.gz KXUPMZCEMTYYPY-ZIAGYGMSSA-N 2 2 330.436 1.069 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)on1 ZINC000995187873 702204340 /nfs/dbraw/zinc/20/43/40/702204340.db2.gz UMYSRHBSGDNJAI-KBPBESRZSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944101982 702217347 /nfs/dbraw/zinc/21/73/47/702217347.db2.gz XZZVHCFQRPNWDR-WBMJQRKESA-N 2 2 331.420 1.286 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944101982 702217350 /nfs/dbraw/zinc/21/73/50/702217350.db2.gz XZZVHCFQRPNWDR-WBMJQRKESA-N 2 2 331.420 1.286 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995884542 702218509 /nfs/dbraw/zinc/21/85/09/702218509.db2.gz GEWQODORWKFFAJ-ZDUSSCGKSA-N 2 2 349.479 1.443 20 0 EDADLP C[C@@H]1C[N@H+](CCF)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944121117 702288769 /nfs/dbraw/zinc/28/87/69/702288769.db2.gz IDPBPLHPZUWQKP-HIFRSBDPSA-N 2 2 331.395 1.677 20 0 EDADLP C[C@@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944121117 702288771 /nfs/dbraw/zinc/28/87/71/702288771.db2.gz IDPBPLHPZUWQKP-HIFRSBDPSA-N 2 2 331.395 1.677 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)o1 ZINC000995964523 702309963 /nfs/dbraw/zinc/30/99/63/702309963.db2.gz BENCGURZJKKCSN-KBPBESRZSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995964523 702309970 /nfs/dbraw/zinc/30/99/70/702309970.db2.gz BENCGURZJKKCSN-KBPBESRZSA-N 2 2 349.479 1.443 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944171677 702417577 /nfs/dbraw/zinc/41/75/77/702417577.db2.gz ZXMOVLKCHUNDQQ-SWLSCSKDSA-N 2 2 344.419 1.171 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944171677 702417583 /nfs/dbraw/zinc/41/75/83/702417583.db2.gz ZXMOVLKCHUNDQQ-SWLSCSKDSA-N 2 2 344.419 1.171 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+][C@H](C)c2ncccn2)C(C)(C)C1 ZINC000996045481 702439572 /nfs/dbraw/zinc/43/95/72/702439572.db2.gz XDNKLTBQDBWHDD-HUUCEWRRSA-N 2 2 342.447 1.569 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)n1 ZINC000996056867 702454982 /nfs/dbraw/zinc/45/49/82/702454982.db2.gz HHUXSNSTAZIUKU-CYBMUJFWSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)no1 ZINC000999225544 706682358 /nfs/dbraw/zinc/68/23/58/706682358.db2.gz VIDJDKGYTSOSMF-UHFFFAOYSA-N 2 2 349.479 1.585 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)c(C)n1 ZINC000996461150 702789126 /nfs/dbraw/zinc/78/91/26/702789126.db2.gz MIGJZIZCHQJXAQ-INIZCTEOSA-N 2 2 341.459 1.991 20 0 EDADLP CC1(C)CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1[NH2+]CCF ZINC000996486473 702816517 /nfs/dbraw/zinc/81/65/17/702816517.db2.gz YRLJVBQOXBLHGN-HNNXBMFYSA-N 2 2 331.395 1.677 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996527074 702843149 /nfs/dbraw/zinc/84/31/49/702843149.db2.gz XPATYOAIGDOLOX-OAHLLOKOSA-N 2 2 344.419 1.171 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)C(C)(C)C1 ZINC000996559694 702877816 /nfs/dbraw/zinc/87/78/16/702877816.db2.gz AJWJODLUZHEENF-QGZVFWFLSA-N 2 2 348.491 1.904 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996568927 702881028 /nfs/dbraw/zinc/88/10/28/702881028.db2.gz OZFTVIZJXGMEOH-QGZVFWFLSA-N 2 2 341.459 1.775 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996576253 702889561 /nfs/dbraw/zinc/88/95/61/702889561.db2.gz VZKTZUUUWKZBFS-QGZVFWFLSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996608663 702911996 /nfs/dbraw/zinc/91/19/96/702911996.db2.gz DJDPNJUJEVOXTQ-GXTWGEPZSA-N 2 2 335.452 1.361 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)[nH]1 ZINC000995250850 702974828 /nfs/dbraw/zinc/97/48/28/702974828.db2.gz OQIMMEGUROXPBP-KBPBESRZSA-N 2 2 345.451 1.199 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC000995255078 702996322 /nfs/dbraw/zinc/99/63/22/702996322.db2.gz VVBPAVLJJNVJPF-DZGCQCFKSA-N 2 2 343.431 1.823 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000996712878 703007967 /nfs/dbraw/zinc/00/79/67/703007967.db2.gz HYGSXTZEUPYCNE-HZPDHXFCSA-N 2 2 334.464 1.669 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)n1 ZINC000942517726 703011328 /nfs/dbraw/zinc/01/13/28/703011328.db2.gz FEJVWKMHBBUWJZ-GXTWGEPZSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)n1 ZINC000942517726 703011331 /nfs/dbraw/zinc/01/13/31/703011331.db2.gz FEJVWKMHBBUWJZ-GXTWGEPZSA-N 2 2 346.435 1.164 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)on1 ZINC000942518739 703019941 /nfs/dbraw/zinc/01/99/41/703019941.db2.gz VZPKLGWSIRGYDH-WFASDCNBSA-N 2 2 347.419 1.215 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)on1 ZINC000942518739 703019942 /nfs/dbraw/zinc/01/99/42/703019942.db2.gz VZPKLGWSIRGYDH-WFASDCNBSA-N 2 2 347.419 1.215 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996734107 703030589 /nfs/dbraw/zinc/03/05/89/703030589.db2.gz UVOYFANYWKYYRC-GFCCVEGCSA-N 2 2 346.460 1.078 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC(C)(C)CC2)C1 ZINC001032331583 703111860 /nfs/dbraw/zinc/11/18/60/703111860.db2.gz FOPWFFHWAMBAFR-OKZBNKHCSA-N 2 2 349.519 1.819 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC(C)(C)CC2)C1 ZINC001032331583 703111861 /nfs/dbraw/zinc/11/18/61/703111861.db2.gz FOPWFFHWAMBAFR-OKZBNKHCSA-N 2 2 349.519 1.819 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC(C)(C)CC2)C1 ZINC001032331583 703111863 /nfs/dbraw/zinc/11/18/63/703111863.db2.gz FOPWFFHWAMBAFR-OKZBNKHCSA-N 2 2 349.519 1.819 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC(C)(C)CC2)C1 ZINC001032331583 703111865 /nfs/dbraw/zinc/11/18/65/703111865.db2.gz FOPWFFHWAMBAFR-OKZBNKHCSA-N 2 2 349.519 1.819 20 0 EDADLP CC[C@@H]([NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1)C(N)=O ZINC000996824203 703114410 /nfs/dbraw/zinc/11/44/10/703114410.db2.gz AETWOTKSSYKCNH-OAHLLOKOSA-N 2 2 332.448 1.465 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996843584 703130168 /nfs/dbraw/zinc/13/01/68/703130168.db2.gz FXQDCUNPGQJDTG-ZIAGYGMSSA-N 2 2 344.381 1.910 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996853702 703132135 /nfs/dbraw/zinc/13/21/35/703132135.db2.gz FPNLHTVIMDFABC-CHWSQXEVSA-N 2 2 330.354 1.520 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)on1 ZINC001032042960 703210895 /nfs/dbraw/zinc/21/08/95/703210895.db2.gz PTZOKVLIRQLWQN-GDBMZVCRSA-N 2 2 348.447 1.248 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)on1 ZINC001032042960 703210898 /nfs/dbraw/zinc/21/08/98/703210898.db2.gz PTZOKVLIRQLWQN-GDBMZVCRSA-N 2 2 348.447 1.248 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C3CC[NH+](CCCO)CC3)ccn12 ZINC000997085867 703331241 /nfs/dbraw/zinc/33/12/41/703331241.db2.gz QAWRFPBAEPBCDU-OAHLLOKOSA-N 2 2 344.459 1.855 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC[NH+](CCCO)CC1 ZINC000997178204 703464370 /nfs/dbraw/zinc/46/43/70/703464370.db2.gz QZFJQANUHQIYDY-ZBFHGGJFSA-N 2 2 334.464 1.045 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000997184661 703473313 /nfs/dbraw/zinc/47/33/13/703473313.db2.gz DBBXPOLLNBRCHZ-UHFFFAOYSA-N 2 2 346.460 1.394 20 0 EDADLP FCCn1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cn1 ZINC000921549534 703484659 /nfs/dbraw/zinc/48/46/59/703484659.db2.gz BFEVVYAZMPNPCA-UHFFFAOYSA-N 2 2 332.423 1.975 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2ccn(C(C)C)n2)CC1 ZINC000997223356 703500895 /nfs/dbraw/zinc/50/08/95/703500895.db2.gz ZVIVYWQWUZJPAV-UHFFFAOYSA-N 2 2 344.463 1.819 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)c1 ZINC001032447820 703616913 /nfs/dbraw/zinc/61/69/13/703616913.db2.gz APKKNIMHAHRMEO-ROUUACIJSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)c1 ZINC001032447820 703616914 /nfs/dbraw/zinc/61/69/14/703616914.db2.gz APKKNIMHAHRMEO-ROUUACIJSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C2CCC2)c1 ZINC001032447820 703616915 /nfs/dbraw/zinc/61/69/15/703616915.db2.gz APKKNIMHAHRMEO-ROUUACIJSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C2CCC2)c1 ZINC001032447820 703616916 /nfs/dbraw/zinc/61/69/16/703616916.db2.gz APKKNIMHAHRMEO-ROUUACIJSA-N 2 2 343.471 1.965 20 0 EDADLP COCc1nc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)cs1 ZINC000997413864 703668589 /nfs/dbraw/zinc/66/85/89/703668589.db2.gz RHYNNPIKCZHGCM-UHFFFAOYSA-N 2 2 349.460 1.267 20 0 EDADLP CC(C)(C)n1cc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)nn1 ZINC000997417762 703669360 /nfs/dbraw/zinc/66/93/60/703669360.db2.gz SYIRWRPBJKTSGP-UHFFFAOYSA-N 2 2 345.451 1.010 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032477072 703704022 /nfs/dbraw/zinc/70/40/22/703704022.db2.gz GLXHTRMSUUTHQP-HOTGVXAUSA-N 2 2 340.427 1.888 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032477072 703704023 /nfs/dbraw/zinc/70/40/23/703704023.db2.gz GLXHTRMSUUTHQP-HOTGVXAUSA-N 2 2 340.427 1.888 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032482678 703728183 /nfs/dbraw/zinc/72/81/83/703728183.db2.gz IYEIFPWZRYTOJO-SZMVWBNQSA-N 2 2 344.459 1.157 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032482678 703728185 /nfs/dbraw/zinc/72/81/85/703728185.db2.gz IYEIFPWZRYTOJO-SZMVWBNQSA-N 2 2 344.459 1.157 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997507736 703756330 /nfs/dbraw/zinc/75/63/30/703756330.db2.gz FMGDJTQIZACLES-WFASDCNBSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997507736 703756332 /nfs/dbraw/zinc/75/63/32/703756332.db2.gz FMGDJTQIZACLES-WFASDCNBSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)oc1C ZINC000995550629 703954400 /nfs/dbraw/zinc/95/44/00/703954400.db2.gz KBYWBZKXJISGMA-LSDHHAIUSA-N 2 2 334.464 1.712 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)oc1C ZINC000995550629 703954403 /nfs/dbraw/zinc/95/44/03/703954403.db2.gz KBYWBZKXJISGMA-LSDHHAIUSA-N 2 2 334.464 1.712 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001004207774 703967166 /nfs/dbraw/zinc/96/71/66/703967166.db2.gz JHKRQWVPIRFORN-CZUORRHYSA-N 2 2 349.479 1.894 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001004207774 703967169 /nfs/dbraw/zinc/96/71/69/703967169.db2.gz JHKRQWVPIRFORN-CZUORRHYSA-N 2 2 349.479 1.894 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033077446 704128110 /nfs/dbraw/zinc/12/81/10/704128110.db2.gz RJXCBTQWNOAZMQ-MRXNPFEDSA-N 2 2 347.507 1.717 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033077446 704128111 /nfs/dbraw/zinc/12/81/11/704128111.db2.gz RJXCBTQWNOAZMQ-MRXNPFEDSA-N 2 2 347.507 1.717 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001033084184 704153464 /nfs/dbraw/zinc/15/34/64/704153464.db2.gz XOYWLWUEQFGTCD-MSOLQXFVSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001033084184 704153465 /nfs/dbraw/zinc/15/34/65/704153465.db2.gz XOYWLWUEQFGTCD-MSOLQXFVSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001033084184 704153466 /nfs/dbraw/zinc/15/34/66/704153466.db2.gz XOYWLWUEQFGTCD-MSOLQXFVSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)cn1 ZINC001033084184 704153467 /nfs/dbraw/zinc/15/34/67/704153467.db2.gz XOYWLWUEQFGTCD-MSOLQXFVSA-N 2 2 345.491 1.691 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3nocc3C)C2)CC[N@@H+]1C ZINC001033098384 704201533 /nfs/dbraw/zinc/20/15/33/704201533.db2.gz HDLWTGTXIJWWGK-YQQAZPJKSA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3nocc3C)C2)CC[N@H+]1C ZINC001033098384 704201536 /nfs/dbraw/zinc/20/15/36/704201536.db2.gz HDLWTGTXIJWWGK-YQQAZPJKSA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3nocc3C)C2)CC[NH+]1C ZINC001033098384 704201538 /nfs/dbraw/zinc/20/15/38/704201538.db2.gz HDLWTGTXIJWWGK-YQQAZPJKSA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3nocc3C)C2)CC[NH+]1C ZINC001033098384 704201541 /nfs/dbraw/zinc/20/15/41/704201541.db2.gz HDLWTGTXIJWWGK-YQQAZPJKSA-N 2 2 334.464 1.746 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946597943 704309196 /nfs/dbraw/zinc/30/91/96/704309196.db2.gz RINVEPIOMCTMTA-IYBDPMFKSA-N 2 2 348.466 1.902 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946597943 704309199 /nfs/dbraw/zinc/30/91/99/704309199.db2.gz RINVEPIOMCTMTA-IYBDPMFKSA-N 2 2 348.466 1.902 20 0 EDADLP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550462 704684660 /nfs/dbraw/zinc/68/46/60/704684660.db2.gz SAIWHITYWCBHJX-GJZGRUSLSA-N 2 2 345.472 1.566 20 0 EDADLP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550462 704684661 /nfs/dbraw/zinc/68/46/61/704684661.db2.gz SAIWHITYWCBHJX-GJZGRUSLSA-N 2 2 345.472 1.566 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cs1 ZINC000944943590 704796291 /nfs/dbraw/zinc/79/62/91/704796291.db2.gz IXVOTKIKGFFDAB-CZUORRHYSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cs1 ZINC000944943590 704796293 /nfs/dbraw/zinc/79/62/93/704796293.db2.gz IXVOTKIKGFFDAB-CZUORRHYSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)c(C)o1 ZINC000944963698 704829793 /nfs/dbraw/zinc/82/97/93/704829793.db2.gz CPDUPKFERPNCHA-WBMJQRKESA-N 2 2 345.447 1.823 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)c(C)o1 ZINC000944963698 704829799 /nfs/dbraw/zinc/82/97/99/704829799.db2.gz CPDUPKFERPNCHA-WBMJQRKESA-N 2 2 345.447 1.823 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccnc2)C1 ZINC001032582195 705017850 /nfs/dbraw/zinc/01/78/50/705017850.db2.gz QXUAOWSWJMQELD-FHWLQOOXSA-N 2 2 342.487 1.989 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccnc2)C1 ZINC001032582195 705017855 /nfs/dbraw/zinc/01/78/55/705017855.db2.gz QXUAOWSWJMQELD-FHWLQOOXSA-N 2 2 342.487 1.989 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2)C1 ZINC001032582195 705017862 /nfs/dbraw/zinc/01/78/62/705017862.db2.gz QXUAOWSWJMQELD-FHWLQOOXSA-N 2 2 342.487 1.989 20 0 EDADLP CCC[NH+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2)C1 ZINC001032582195 705017868 /nfs/dbraw/zinc/01/78/68/705017868.db2.gz QXUAOWSWJMQELD-FHWLQOOXSA-N 2 2 342.487 1.989 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000997930983 705026500 /nfs/dbraw/zinc/02/65/00/705026500.db2.gz UHVCAUSGHGYHOF-QGZVFWFLSA-N 2 2 348.491 1.608 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000997952278 705072798 /nfs/dbraw/zinc/07/27/98/705072798.db2.gz LAVQKWSRYBVBJB-CYBMUJFWSA-N 2 2 346.435 1.554 20 0 EDADLP Cc1ccnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000998114335 705364983 /nfs/dbraw/zinc/36/49/83/705364983.db2.gz GGZZRCVCGLYSHU-UHFFFAOYSA-N 2 2 328.420 1.079 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)sn1 ZINC001015898449 705417224 /nfs/dbraw/zinc/41/72/24/705417224.db2.gz CQKNIKPBBSVKCU-HNNXBMFYSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)sn1 ZINC001015898449 705417228 /nfs/dbraw/zinc/41/72/28/705417228.db2.gz CQKNIKPBBSVKCU-HNNXBMFYSA-N 2 2 336.505 1.874 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1)[NH+](C)C ZINC001032612035 705586085 /nfs/dbraw/zinc/58/60/85/705586085.db2.gz UADHQABYSPHFLP-OFQRWUPVSA-N 2 2 336.505 1.557 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1)[NH+](C)C ZINC001032612035 705586086 /nfs/dbraw/zinc/58/60/86/705586086.db2.gz UADHQABYSPHFLP-OFQRWUPVSA-N 2 2 336.505 1.557 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998244826 705591537 /nfs/dbraw/zinc/59/15/37/705591537.db2.gz OOFZAYZMTUXZNR-UHFFFAOYSA-N 2 2 334.464 1.515 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)co1 ZINC000998246102 705593180 /nfs/dbraw/zinc/59/31/80/705593180.db2.gz WLTLERZDDFUJKK-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000998269936 705647629 /nfs/dbraw/zinc/64/76/29/705647629.db2.gz RNVRVFXRVFIMFF-GFCCVEGCSA-N 2 2 346.435 1.472 20 0 EDADLP Cc1noc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCc4[nH+]ccn43)C2)n1 ZINC000998902694 706339510 /nfs/dbraw/zinc/33/95/10/706339510.db2.gz XIKIGRMZCUFQML-JXQTWKCFSA-N 2 2 344.419 1.231 20 0 EDADLP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000998902659 706339767 /nfs/dbraw/zinc/33/97/67/706339767.db2.gz WPMDDXFMKDQABP-XUJLQICISA-N 2 2 343.431 1.836 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]Cc2ccon2)C1 ZINC000999003073 706442264 /nfs/dbraw/zinc/44/22/64/706442264.db2.gz CXJZQSMMXMIGJL-GRTSSRMGSA-N 2 2 329.404 1.213 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999045343 706486645 /nfs/dbraw/zinc/48/66/45/706486645.db2.gz NLPJNABMYYRGBS-INIZCTEOSA-N 2 2 334.464 1.740 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999047622 706488736 /nfs/dbraw/zinc/48/87/36/706488736.db2.gz VWJJRZQRAVQOCU-HNNXBMFYSA-N 2 2 330.436 1.165 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362401 706875495 /nfs/dbraw/zinc/87/54/95/706875495.db2.gz AULAEHWZTVYCTQ-BBRMVZONSA-N 2 2 335.452 1.053 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999364338 706878289 /nfs/dbraw/zinc/87/82/89/706878289.db2.gz MFYICIYLEXPPFM-CQSZACIVSA-N 2 2 349.479 1.587 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999364338 706878292 /nfs/dbraw/zinc/87/82/92/706878292.db2.gz MFYICIYLEXPPFM-CQSZACIVSA-N 2 2 349.479 1.587 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1)C1CC1 ZINC000999369767 706883571 /nfs/dbraw/zinc/88/35/71/706883571.db2.gz KKZNSEDNGUVIOW-GDBMZVCRSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000999401269 706901485 /nfs/dbraw/zinc/90/14/85/706901485.db2.gz NWUIILBJSKSUKV-CABCVRRESA-N 2 2 335.452 1.333 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000999401269 706901486 /nfs/dbraw/zinc/90/14/86/706901486.db2.gz NWUIILBJSKSUKV-CABCVRRESA-N 2 2 335.452 1.333 20 0 EDADLP COc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999472667 706981472 /nfs/dbraw/zinc/98/14/72/706981472.db2.gz JBYBLDCEKUDOJB-UHFFFAOYSA-N 2 2 346.406 1.879 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)oc1C ZINC000999506792 707003955 /nfs/dbraw/zinc/00/39/55/707003955.db2.gz BWTYTJSJBMFZJC-JKSUJKDBSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)oc1C ZINC000999506792 707003957 /nfs/dbraw/zinc/00/39/57/707003957.db2.gz BWTYTJSJBMFZJC-JKSUJKDBSA-N 2 2 334.464 1.856 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999533856 707034196 /nfs/dbraw/zinc/03/41/96/707034196.db2.gz ASDJZGWLVFRVRJ-IAGOWNOFSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999533853 707034329 /nfs/dbraw/zinc/03/43/29/707034329.db2.gz ASDJZGWLVFRVRJ-DLBZAZTESA-N 2 2 346.475 1.453 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999537356 707037854 /nfs/dbraw/zinc/03/78/54/707037854.db2.gz RPUATUKGVWKTMH-GDBMZVCRSA-N 2 2 343.431 1.523 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000999605702 707070329 /nfs/dbraw/zinc/07/03/29/707070329.db2.gz NSRZBPXUFONPCU-UHFFFAOYSA-N 2 2 331.420 1.590 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999696451 707221211 /nfs/dbraw/zinc/22/12/11/707221211.db2.gz BMFNUPNWDZMQJK-UHFFFAOYSA-N 2 2 330.436 1.200 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001033264846 707286979 /nfs/dbraw/zinc/28/69/79/707286979.db2.gz DJGQJIOIWCPEAP-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999791977 707363178 /nfs/dbraw/zinc/36/31/78/707363178.db2.gz LPBJFFMIMSWRSJ-AEFFLSMTSA-N 2 2 346.475 1.938 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cc3)C2)O1 ZINC001033185648 707370612 /nfs/dbraw/zinc/37/06/12/707370612.db2.gz OXVZJCZFGFFNDQ-FHLIZLRMSA-N 2 2 349.450 1.578 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cc3)C2)O1 ZINC001033185648 707370618 /nfs/dbraw/zinc/37/06/18/707370618.db2.gz OXVZJCZFGFFNDQ-FHLIZLRMSA-N 2 2 349.450 1.578 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)O1 ZINC001033185648 707370624 /nfs/dbraw/zinc/37/06/24/707370624.db2.gz OXVZJCZFGFFNDQ-FHLIZLRMSA-N 2 2 349.450 1.578 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)O1 ZINC001033185648 707370630 /nfs/dbraw/zinc/37/06/30/707370630.db2.gz OXVZJCZFGFFNDQ-FHLIZLRMSA-N 2 2 349.450 1.578 20 0 EDADLP C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004830830 707392838 /nfs/dbraw/zinc/39/28/38/707392838.db2.gz HECRZJRMZKBJQK-GDBMZVCRSA-N 2 2 344.463 1.635 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000999837297 707408353 /nfs/dbraw/zinc/40/83/53/707408353.db2.gz PMXHWCHSGZLQSB-LMWSTFAQSA-N 2 2 346.435 1.477 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000999838025 707409627 /nfs/dbraw/zinc/40/96/27/707409627.db2.gz ULPHYCFLYRUBGV-GRTSSRMGSA-N 2 2 331.420 1.828 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000999842297 707415649 /nfs/dbraw/zinc/41/56/49/707415649.db2.gz OWUHRCWDHXVTMD-JKSUJKDBSA-N 2 2 334.464 1.669 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999843648 707417652 /nfs/dbraw/zinc/41/76/52/707417652.db2.gz VRCPJRIDSQYJFH-OAHLLOKOSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1nc(CC[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cs1 ZINC000999837025 707473051 /nfs/dbraw/zinc/47/30/51/707473051.db2.gz OTEQBQBKOJOEIM-OAHLLOKOSA-N 2 2 347.488 1.861 20 0 EDADLP CN(C(=O)[C@@H](C1CC1)[NH+]1CCOCC1)C1CC([NH2+]CCC2CC2)C1 ZINC000999872002 707515359 /nfs/dbraw/zinc/51/53/59/707515359.db2.gz RRLCGWTVYVLDDH-DAWZGUTISA-N 2 2 335.492 1.476 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999915132 707557076 /nfs/dbraw/zinc/55/70/76/707557076.db2.gz GOBKUBKLZYGRAQ-OFLPRAFFSA-N 2 2 328.416 1.196 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000999916106 707558127 /nfs/dbraw/zinc/55/81/27/707558127.db2.gz NYURTDBHVJZNOS-MQBCKMQZSA-N 2 2 346.406 1.335 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815691 707565212 /nfs/dbraw/zinc/56/52/12/707565212.db2.gz KOJIRMFAIABUOO-LUKYLMHMSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815691 707565215 /nfs/dbraw/zinc/56/52/15/707565215.db2.gz KOJIRMFAIABUOO-LUKYLMHMSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815691 707565218 /nfs/dbraw/zinc/56/52/18/707565218.db2.gz KOJIRMFAIABUOO-LUKYLMHMSA-N 2 2 348.491 1.794 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815691 707565220 /nfs/dbraw/zinc/56/52/20/707565220.db2.gz KOJIRMFAIABUOO-LUKYLMHMSA-N 2 2 348.491 1.794 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1csnn1 ZINC001004902931 707593026 /nfs/dbraw/zinc/59/30/26/707593026.db2.gz RTDFAQBHUCHGBF-ZFWWWQNUSA-N 2 2 348.476 1.602 20 0 EDADLP Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)[nH]1 ZINC001004921399 707682365 /nfs/dbraw/zinc/68/23/65/707682365.db2.gz QDZXRYONWFBDRC-HIFRSBDPSA-N 2 2 345.451 1.259 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004958666 707713919 /nfs/dbraw/zinc/71/39/19/707713919.db2.gz WJJKIDSEVHLKBU-SMDDNHRTSA-N 2 2 348.476 1.672 20 0 EDADLP CCn1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)nn1 ZINC001004946461 707717903 /nfs/dbraw/zinc/71/79/03/707717903.db2.gz MDFMVRKWBQFHMK-CZUORRHYSA-N 2 2 345.451 1.123 20 0 EDADLP C[C@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004948564 707722786 /nfs/dbraw/zinc/72/27/86/707722786.db2.gz UODKLDHDYIKUPU-ZFWWWQNUSA-N 2 2 330.436 1.245 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccn1)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004962962 707786946 /nfs/dbraw/zinc/78/69/46/707786946.db2.gz DLOXLIHJXUVCRB-GDBMZVCRSA-N 2 2 327.432 1.907 20 0 EDADLP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004968972 707790988 /nfs/dbraw/zinc/79/09/88/707790988.db2.gz YDDLEDJFXWVALP-DZGCQCFKSA-N 2 2 330.436 1.245 20 0 EDADLP Cc1conc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984910 707834080 /nfs/dbraw/zinc/83/40/80/707834080.db2.gz ZQMHDQTVNQWJOU-PBHICJAKSA-N 2 2 345.447 1.818 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033452409 707895574 /nfs/dbraw/zinc/89/55/74/707895574.db2.gz KKEJNQNHPIJFOA-DLBZAZTESA-N 2 2 334.464 1.426 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033452409 707895580 /nfs/dbraw/zinc/89/55/80/707895580.db2.gz KKEJNQNHPIJFOA-DLBZAZTESA-N 2 2 334.464 1.426 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000921749054 707969752 /nfs/dbraw/zinc/96/97/52/707969752.db2.gz BRIRMJGSMGZNIB-YJBOKZPZSA-N 2 2 341.459 1.809 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000921749054 707969754 /nfs/dbraw/zinc/96/97/54/707969754.db2.gz BRIRMJGSMGZNIB-YJBOKZPZSA-N 2 2 341.459 1.809 20 0 EDADLP Cc1nc(C[NH+]2CC=C(CNC(=O)[C@H]3CCCC[N@H+]3C)CC2)co1 ZINC001000850510 708072935 /nfs/dbraw/zinc/07/29/35/708072935.db2.gz KJMUCRSRSFZGMH-QGZVFWFLSA-N 2 2 332.448 1.716 20 0 EDADLP Cc1nc(C[NH+]2CC=C(CNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)co1 ZINC001000850510 708072937 /nfs/dbraw/zinc/07/29/37/708072937.db2.gz KJMUCRSRSFZGMH-QGZVFWFLSA-N 2 2 332.448 1.716 20 0 EDADLP Cc1nc(C[N@H+]2CC=C(CNC(=O)[C@H]3CCCC[NH+]3C)CC2)co1 ZINC001000850510 708072938 /nfs/dbraw/zinc/07/29/38/708072938.db2.gz KJMUCRSRSFZGMH-QGZVFWFLSA-N 2 2 332.448 1.716 20 0 EDADLP Cc1nc(C[N@@H+]2CC=C(CNC(=O)[C@H]3CCCC[NH+]3C)CC2)co1 ZINC001000850510 708072940 /nfs/dbraw/zinc/07/29/40/708072940.db2.gz KJMUCRSRSFZGMH-QGZVFWFLSA-N 2 2 332.448 1.716 20 0 EDADLP Cc1ccc(OCC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)cc1 ZINC001032815056 708152026 /nfs/dbraw/zinc/15/20/26/708152026.db2.gz XMCLWVDTJNIKMA-IRXDYDNUSA-N 2 2 340.427 1.556 20 0 EDADLP Cc1ccc(OCC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)cc1 ZINC001032815056 708152030 /nfs/dbraw/zinc/15/20/30/708152030.db2.gz XMCLWVDTJNIKMA-IRXDYDNUSA-N 2 2 340.427 1.556 20 0 EDADLP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001033578187 708254702 /nfs/dbraw/zinc/25/47/02/708254702.db2.gz GWCSGRBKOHQFGM-HOCLYGCPSA-N 2 2 343.431 1.449 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001033590880 708288120 /nfs/dbraw/zinc/28/81/20/708288120.db2.gz RRGGVAKHWDREGV-WBVHZDCISA-N 2 2 334.464 1.455 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001033590880 708288123 /nfs/dbraw/zinc/28/81/23/708288123.db2.gz RRGGVAKHWDREGV-WBVHZDCISA-N 2 2 334.464 1.455 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592714 708291431 /nfs/dbraw/zinc/29/14/31/708291431.db2.gz CNFXKQQCOBEKQG-AWEZNQCLSA-N 2 2 345.447 1.554 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592714 708291432 /nfs/dbraw/zinc/29/14/32/708291432.db2.gz CNFXKQQCOBEKQG-AWEZNQCLSA-N 2 2 345.447 1.554 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033595024 708297729 /nfs/dbraw/zinc/29/77/29/708297729.db2.gz PMRRHDIANPYBPY-LSDHHAIUSA-N 2 2 334.464 1.647 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033595024 708297732 /nfs/dbraw/zinc/29/77/32/708297732.db2.gz PMRRHDIANPYBPY-LSDHHAIUSA-N 2 2 334.464 1.647 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033615700 708341141 /nfs/dbraw/zinc/34/11/41/708341141.db2.gz BGQNWVDROJOWPD-ZDUSSCGKSA-N 2 2 333.461 1.758 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033615700 708341144 /nfs/dbraw/zinc/34/11/44/708341144.db2.gz BGQNWVDROJOWPD-ZDUSSCGKSA-N 2 2 333.461 1.758 20 0 EDADLP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC001033621478 708354951 /nfs/dbraw/zinc/35/49/51/708354951.db2.gz WMBCBICQTBJWDV-MRXNPFEDSA-N 2 2 344.463 1.252 20 0 EDADLP CCn1cc(CC[N@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)cn1 ZINC001033621478 708354954 /nfs/dbraw/zinc/35/49/54/708354954.db2.gz WMBCBICQTBJWDV-MRXNPFEDSA-N 2 2 344.463 1.252 20 0 EDADLP CCOc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC001033656775 708426739 /nfs/dbraw/zinc/42/67/39/708426739.db2.gz FEAUPQWSCGPQFW-QGZVFWFLSA-N 2 2 346.475 1.609 20 0 EDADLP CCOc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC001033656775 708426743 /nfs/dbraw/zinc/42/67/43/708426743.db2.gz FEAUPQWSCGPQFW-QGZVFWFLSA-N 2 2 346.475 1.609 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033657838 708428767 /nfs/dbraw/zinc/42/87/67/708428767.db2.gz NPINZDVCOHWNBB-HNNXBMFYSA-N 2 2 347.488 1.998 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033657838 708428771 /nfs/dbraw/zinc/42/87/71/708428771.db2.gz NPINZDVCOHWNBB-HNNXBMFYSA-N 2 2 347.488 1.998 20 0 EDADLP Cc1cccc(OCC[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001033707967 708540927 /nfs/dbraw/zinc/54/09/27/708540927.db2.gz VYGUBDODSAECTA-QGZVFWFLSA-N 2 2 342.443 1.803 20 0 EDADLP Cc1cccc(OCC[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001033707967 708540930 /nfs/dbraw/zinc/54/09/30/708540930.db2.gz VYGUBDODSAECTA-QGZVFWFLSA-N 2 2 342.443 1.803 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001002159271 708673270 /nfs/dbraw/zinc/67/32/70/708673270.db2.gz QAIKIWJCBDHNIY-INIZCTEOSA-N 2 2 335.452 1.272 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(C)C3CC[NH+]([C@@H](C)C(N)=O)CC3)ccn12 ZINC001005397959 708911108 /nfs/dbraw/zinc/91/11/08/708911108.db2.gz UYTDDUBGJVVKSU-ZDUSSCGKSA-N 2 2 343.431 1.053 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001005406925 708936700 /nfs/dbraw/zinc/93/67/00/708936700.db2.gz LKSJDYGEMBPFFJ-XJKCOSOUSA-N 2 2 349.479 1.702 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001005406925 708936703 /nfs/dbraw/zinc/93/67/03/708936703.db2.gz LKSJDYGEMBPFFJ-XJKCOSOUSA-N 2 2 349.479 1.702 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001002476745 709013200 /nfs/dbraw/zinc/01/32/00/709013200.db2.gz STKXHBUDTUGAGK-INIZCTEOSA-N 2 2 332.448 1.727 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001002476745 709013203 /nfs/dbraw/zinc/01/32/03/709013203.db2.gz STKXHBUDTUGAGK-INIZCTEOSA-N 2 2 332.448 1.727 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001033941232 709147890 /nfs/dbraw/zinc/14/78/90/709147890.db2.gz NULXOBGHGUWKKK-NVXWUHKLSA-N 2 2 345.491 1.802 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001033941232 709147892 /nfs/dbraw/zinc/14/78/92/709147892.db2.gz NULXOBGHGUWKKK-NVXWUHKLSA-N 2 2 345.491 1.802 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C/C=C/Cl)C1)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032826978 709244967 /nfs/dbraw/zinc/24/49/67/709244967.db2.gz BJVVXBGBGLEGKX-FZHYMUGLSA-N 2 2 341.883 1.573 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C/C=C/Cl)C1)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032826978 709244970 /nfs/dbraw/zinc/24/49/70/709244970.db2.gz BJVVXBGBGLEGKX-FZHYMUGLSA-N 2 2 341.883 1.573 20 0 EDADLP O=C(N[C@H]1CC[NH+](C/C=C/Cl)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032826978 709244972 /nfs/dbraw/zinc/24/49/72/709244972.db2.gz BJVVXBGBGLEGKX-FZHYMUGLSA-N 2 2 341.883 1.573 20 0 EDADLP O=C(N[C@H]1CC[NH+](C/C=C/Cl)C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001032826978 709244975 /nfs/dbraw/zinc/24/49/75/709244975.db2.gz BJVVXBGBGLEGKX-FZHYMUGLSA-N 2 2 341.883 1.573 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC001034135968 709406776 /nfs/dbraw/zinc/40/67/76/709406776.db2.gz HPMCAADWMLXPTR-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC001034135968 709406777 /nfs/dbraw/zinc/40/67/77/709406777.db2.gz HPMCAADWMLXPTR-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)ccn1 ZINC001034135968 709406778 /nfs/dbraw/zinc/40/67/78/709406778.db2.gz HPMCAADWMLXPTR-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)ccn1 ZINC001034135968 709406779 /nfs/dbraw/zinc/40/67/79/709406779.db2.gz HPMCAADWMLXPTR-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cncc(F)c2)C1 ZINC001034137124 709408693 /nfs/dbraw/zinc/40/86/93/709408693.db2.gz NJRCUSVSIRKRRQ-DLBZAZTESA-N 2 2 334.439 1.786 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](Cc2cncc(F)c2)C1 ZINC001034137124 709408694 /nfs/dbraw/zinc/40/86/94/709408694.db2.gz NJRCUSVSIRKRRQ-DLBZAZTESA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cncc(F)c2)C1 ZINC001034137124 709408696 /nfs/dbraw/zinc/40/86/96/709408696.db2.gz NJRCUSVSIRKRRQ-DLBZAZTESA-N 2 2 334.439 1.786 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001034137124 709408697 /nfs/dbraw/zinc/40/86/97/709408697.db2.gz NJRCUSVSIRKRRQ-DLBZAZTESA-N 2 2 334.439 1.786 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnnn2C)C1 ZINC001034204757 709527498 /nfs/dbraw/zinc/52/74/98/709527498.db2.gz PRQURFLAGXIIMN-WBVHZDCISA-N 2 2 348.495 1.159 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnnn2C)C1 ZINC001034204757 709527500 /nfs/dbraw/zinc/52/75/00/709527500.db2.gz PRQURFLAGXIIMN-WBVHZDCISA-N 2 2 348.495 1.159 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnnn2C)C1 ZINC001034204757 709527503 /nfs/dbraw/zinc/52/75/03/709527503.db2.gz PRQURFLAGXIIMN-WBVHZDCISA-N 2 2 348.495 1.159 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnnn2C)C1 ZINC001034204757 709527504 /nfs/dbraw/zinc/52/75/04/709527504.db2.gz PRQURFLAGXIIMN-WBVHZDCISA-N 2 2 348.495 1.159 20 0 EDADLP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218457 709575456 /nfs/dbraw/zinc/57/54/56/709575456.db2.gz GLTNEOZXCIHYEI-LSDHHAIUSA-N 2 2 334.464 1.113 20 0 EDADLP C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218457 709575463 /nfs/dbraw/zinc/57/54/63/709575463.db2.gz GLTNEOZXCIHYEI-LSDHHAIUSA-N 2 2 334.464 1.113 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001002954675 709654976 /nfs/dbraw/zinc/65/49/76/709654976.db2.gz IBXPGZOHAMWGQH-OAHLLOKOSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001002954675 709654980 /nfs/dbraw/zinc/65/49/80/709654980.db2.gz IBXPGZOHAMWGQH-OAHLLOKOSA-N 2 2 337.493 1.493 20 0 EDADLP Cn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001034277821 709693213 /nfs/dbraw/zinc/69/32/13/709693213.db2.gz SYTDLBQYONNZBP-NVXWUHKLSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001034277821 709693214 /nfs/dbraw/zinc/69/32/14/709693214.db2.gz SYTDLBQYONNZBP-NVXWUHKLSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001034277821 709693215 /nfs/dbraw/zinc/69/32/15/709693215.db2.gz SYTDLBQYONNZBP-NVXWUHKLSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001034277821 709693217 /nfs/dbraw/zinc/69/32/17/709693217.db2.gz SYTDLBQYONNZBP-NVXWUHKLSA-N 2 2 333.480 1.375 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cnc(C)o2)C1 ZINC001034309936 709753156 /nfs/dbraw/zinc/75/31/56/709753156.db2.gz RCBLWVBJMHQHHB-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cnc(C)o2)C1 ZINC001034309936 709753157 /nfs/dbraw/zinc/75/31/57/709753157.db2.gz RCBLWVBJMHQHHB-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cn(C)nn3)C2)CC[N@@H+]1C ZINC001034363106 709880449 /nfs/dbraw/zinc/88/04/49/709880449.db2.gz KYUQVFFQAFOVPJ-JYJNAYRXSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cn(C)nn3)C2)CC[N@H+]1C ZINC001034363106 709880452 /nfs/dbraw/zinc/88/04/52/709880452.db2.gz KYUQVFFQAFOVPJ-JYJNAYRXSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cn(C)nn3)C2)CC[NH+]1C ZINC001034363106 709880455 /nfs/dbraw/zinc/88/04/55/709880455.db2.gz KYUQVFFQAFOVPJ-JYJNAYRXSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cn(C)nn3)C2)CC[NH+]1C ZINC001034363106 709880458 /nfs/dbraw/zinc/88/04/58/709880458.db2.gz KYUQVFFQAFOVPJ-JYJNAYRXSA-N 2 2 348.495 1.016 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001034395432 709932956 /nfs/dbraw/zinc/93/29/56/709932956.db2.gz ZCSQWVSGPMUYRC-SJORKVTESA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)n1 ZINC001034395432 709932957 /nfs/dbraw/zinc/93/29/57/709932957.db2.gz ZCSQWVSGPMUYRC-SJORKVTESA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001034395432 709932958 /nfs/dbraw/zinc/93/29/58/709932958.db2.gz ZCSQWVSGPMUYRC-SJORKVTESA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001034395432 709932959 /nfs/dbraw/zinc/93/29/59/709932959.db2.gz ZCSQWVSGPMUYRC-SJORKVTESA-N 2 2 347.507 1.716 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](C[C@H]3CCCOC3)CC2)c[nH+]1 ZINC001003131813 710015981 /nfs/dbraw/zinc/01/59/81/710015981.db2.gz ALOYXAXFSNOFFB-MRXNPFEDSA-N 2 2 348.491 1.934 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](CC[C@H]3CCOC3)CC2)c[nH+]1 ZINC001003128221 710025830 /nfs/dbraw/zinc/02/58/30/710025830.db2.gz ODPLWZNYIDYWGF-INIZCTEOSA-N 2 2 348.491 1.934 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001003146561 710044914 /nfs/dbraw/zinc/04/49/14/710044914.db2.gz SPNMGWZXBIQLDV-DLBZAZTESA-N 2 2 345.491 1.518 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001003146561 710044920 /nfs/dbraw/zinc/04/49/20/710044920.db2.gz SPNMGWZXBIQLDV-DLBZAZTESA-N 2 2 345.491 1.518 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCCO2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001003180398 710096489 /nfs/dbraw/zinc/09/64/89/710096489.db2.gz RSBYTHSKXBTEPZ-QAPCUYQASA-N 2 2 346.475 1.595 20 0 EDADLP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001003190279 710107346 /nfs/dbraw/zinc/10/73/46/710107346.db2.gz NTXYPRLSQFPMRC-GFCCVEGCSA-N 2 2 344.381 1.979 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cncn2C)C1 ZINC001034529620 710185453 /nfs/dbraw/zinc/18/54/53/710185453.db2.gz KRKMCQLJWACDTC-OAHLLOKOSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cncn2C)C1 ZINC001034529620 710185455 /nfs/dbraw/zinc/18/54/55/710185455.db2.gz KRKMCQLJWACDTC-OAHLLOKOSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)s1 ZINC001003320057 710248638 /nfs/dbraw/zinc/24/86/38/710248638.db2.gz ZTYJVFRLJNPILQ-UHFFFAOYSA-N 2 2 333.461 1.737 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034648487 710325296 /nfs/dbraw/zinc/32/52/96/710325296.db2.gz IXENCFGXMNUMFO-QBPKDAKJSA-N 2 2 346.475 1.163 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001003548529 710414295 /nfs/dbraw/zinc/41/42/95/710414295.db2.gz RSTFGFUSDJYMMH-ZDUSSCGKSA-N 2 2 349.479 1.615 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003549086 710414490 /nfs/dbraw/zinc/41/44/90/710414490.db2.gz ZDGWFSOOQFLYBN-AWEZNQCLSA-N 2 2 331.464 1.460 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001003721451 710513573 /nfs/dbraw/zinc/51/35/73/710513573.db2.gz ZTHDQVWBNIQVRN-UHFFFAOYSA-N 2 2 344.463 1.521 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2nccn2C)CC1)[NH+]1CCCCCC1 ZINC001003735333 710517320 /nfs/dbraw/zinc/51/73/20/710517320.db2.gz IMJPOGZEUULNRY-INIZCTEOSA-N 2 2 347.507 1.765 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003745765 710528151 /nfs/dbraw/zinc/52/81/51/710528151.db2.gz UHXDVDATFCCWEW-UHFFFAOYSA-N 2 2 347.507 1.716 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001005593086 710641575 /nfs/dbraw/zinc/64/15/75/710641575.db2.gz PTNAYQMRLFVHJG-QGZVFWFLSA-N 2 2 333.480 1.327 20 0 EDADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001005593086 710641577 /nfs/dbraw/zinc/64/15/77/710641577.db2.gz PTNAYQMRLFVHJG-QGZVFWFLSA-N 2 2 333.480 1.327 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001003841466 710674804 /nfs/dbraw/zinc/67/48/04/710674804.db2.gz LCJIBEGZCTUAAN-UHFFFAOYSA-N 2 2 347.507 1.716 20 0 EDADLP CO[C@H](C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC001003844266 710684463 /nfs/dbraw/zinc/68/44/63/710684463.db2.gz FWZGTHQYYYZPAR-QGZVFWFLSA-N 2 2 342.443 1.921 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005605503 710685885 /nfs/dbraw/zinc/68/58/85/710685885.db2.gz JMOZRZLPGXSYKN-HZPDHXFCSA-N 2 2 346.475 1.405 20 0 EDADLP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001034700912 710804668 /nfs/dbraw/zinc/80/46/68/710804668.db2.gz LNVXWFUNBWAJFT-BZSNNMDCSA-N 2 2 337.508 1.914 20 0 EDADLP CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001034700912 710804672 /nfs/dbraw/zinc/80/46/72/710804672.db2.gz LNVXWFUNBWAJFT-BZSNNMDCSA-N 2 2 337.508 1.914 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)no1 ZINC001034794191 711109324 /nfs/dbraw/zinc/10/93/24/711109324.db2.gz ZWGVZIKBCVHCSY-HDJSIYSDSA-N 2 2 346.435 1.354 20 0 EDADLP Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC001034801000 711140528 /nfs/dbraw/zinc/14/05/28/711140528.db2.gz CGGIAZWIEOBPAM-JYJNAYRXSA-N 2 2 342.447 1.760 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]Cc3nncs3)cc2)C1 ZINC001034831316 711237456 /nfs/dbraw/zinc/23/74/56/711237456.db2.gz PFYJDVHQPHGVHN-OAHLLOKOSA-N 2 2 345.472 1.396 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]Cc3nncs3)cc2)C1 ZINC001034831316 711237459 /nfs/dbraw/zinc/23/74/59/711237459.db2.gz PFYJDVHQPHGVHN-OAHLLOKOSA-N 2 2 345.472 1.396 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1)C1CC1 ZINC001034959864 711435929 /nfs/dbraw/zinc/43/59/29/711435929.db2.gz GYETUBQFCYBAMI-GDBMZVCRSA-N 2 2 347.463 1.368 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3noc4c3CCCC4)CC2)C1 ZINC001004145868 711556113 /nfs/dbraw/zinc/55/61/13/711556113.db2.gz WKJYKPXVQGPYED-CQSZACIVSA-N 2 2 346.475 1.586 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3noc4c3CCCC4)CC2)C1 ZINC001004145868 711556114 /nfs/dbraw/zinc/55/61/14/711556114.db2.gz WKJYKPXVQGPYED-CQSZACIVSA-N 2 2 346.475 1.586 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001004160273 711585970 /nfs/dbraw/zinc/58/59/70/711585970.db2.gz KRWQVKGDTCVZIO-GFCCVEGCSA-N 2 2 346.435 1.479 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033127243 711877595 /nfs/dbraw/zinc/87/75/95/711877595.db2.gz SLOLVVNSOZLATC-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033127243 711877597 /nfs/dbraw/zinc/87/75/97/711877597.db2.gz SLOLVVNSOZLATC-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033127243 711877601 /nfs/dbraw/zinc/87/76/01/711877601.db2.gz SLOLVVNSOZLATC-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033127243 711877603 /nfs/dbraw/zinc/87/76/03/711877603.db2.gz SLOLVVNSOZLATC-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004499186 711889502 /nfs/dbraw/zinc/88/95/02/711889502.db2.gz QSDOKXUTISREBY-DOTOQJQBSA-N 2 2 348.491 1.437 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001004499186 711889505 /nfs/dbraw/zinc/88/95/05/711889505.db2.gz QSDOKXUTISREBY-DOTOQJQBSA-N 2 2 348.491 1.437 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946649203 712175108 /nfs/dbraw/zinc/17/51/08/712175108.db2.gz PWMHEGGPVBKQDN-OAGGEKHMSA-N 2 2 334.439 1.585 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946649203 712175110 /nfs/dbraw/zinc/17/51/10/712175110.db2.gz PWMHEGGPVBKQDN-OAGGEKHMSA-N 2 2 334.439 1.585 20 0 EDADLP CCCc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000050799456 214071023 /nfs/dbraw/zinc/07/10/23/214071023.db2.gz SGKTZLTYSRNFIJ-UHFFFAOYSA-N 2 2 333.480 1.651 20 0 EDADLP O=C(CNC(=O)c1ccc2[nH+]ccn2c1)NCC[NH+]1CCCCCC1 ZINC000558358785 306237196 /nfs/dbraw/zinc/23/71/96/306237196.db2.gz FBUYXSKWZMUXTE-UHFFFAOYSA-N 2 2 343.431 1.056 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462063 306238457 /nfs/dbraw/zinc/23/84/57/306238457.db2.gz JQCYAVSDXPUAKF-GOEBONIOSA-N 2 2 326.481 1.885 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462063 306238458 /nfs/dbraw/zinc/23/84/58/306238458.db2.gz JQCYAVSDXPUAKF-GOEBONIOSA-N 2 2 326.481 1.885 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462063 306238459 /nfs/dbraw/zinc/23/84/59/306238459.db2.gz JQCYAVSDXPUAKF-GOEBONIOSA-N 2 2 326.481 1.885 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1)C1CC1 ZINC000558462063 306238460 /nfs/dbraw/zinc/23/84/60/306238460.db2.gz JQCYAVSDXPUAKF-GOEBONIOSA-N 2 2 326.481 1.885 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC000558512326 306238793 /nfs/dbraw/zinc/23/87/93/306238793.db2.gz VCMDXRGLMFRTTR-HNNXBMFYSA-N 2 2 342.443 1.877 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000364694516 282248355 /nfs/dbraw/zinc/24/83/55/282248355.db2.gz JYPKOXRQFSKJIY-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000364694516 282248361 /nfs/dbraw/zinc/24/83/61/282248361.db2.gz JYPKOXRQFSKJIY-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CC1CC[NH+](CCNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000559267842 306252681 /nfs/dbraw/zinc/25/26/81/306252681.db2.gz VMHRCFFUMQKXPY-UHFFFAOYSA-N 2 2 346.475 1.376 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)N3CCCCCC3)C2)CC1 ZINC000174899674 529776503 /nfs/dbraw/zinc/77/65/03/529776503.db2.gz NCZFLYIMMCMPQH-SFHVURJKSA-N 2 2 336.524 1.491 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)N3CCCCCC3)C2)CC1 ZINC000174899674 529776504 /nfs/dbraw/zinc/77/65/04/529776504.db2.gz NCZFLYIMMCMPQH-SFHVURJKSA-N 2 2 336.524 1.491 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000559312821 306253670 /nfs/dbraw/zinc/25/36/70/306253670.db2.gz VDODIBHKQPKRLF-IBGZPJMESA-N 2 2 344.459 1.430 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000559312821 306253671 /nfs/dbraw/zinc/25/36/71/306253671.db2.gz VDODIBHKQPKRLF-IBGZPJMESA-N 2 2 344.459 1.430 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000559312821 306253672 /nfs/dbraw/zinc/25/36/72/306253672.db2.gz VDODIBHKQPKRLF-IBGZPJMESA-N 2 2 344.459 1.430 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000559312821 306253673 /nfs/dbraw/zinc/25/36/73/306253673.db2.gz VDODIBHKQPKRLF-IBGZPJMESA-N 2 2 344.459 1.430 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000371527202 282302611 /nfs/dbraw/zinc/30/26/11/282302611.db2.gz HBONFUMGKNWUKR-WMZOPIPTSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000371527202 282302615 /nfs/dbraw/zinc/30/26/15/282302615.db2.gz HBONFUMGKNWUKR-WMZOPIPTSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000371527202 282302616 /nfs/dbraw/zinc/30/26/16/282302616.db2.gz HBONFUMGKNWUKR-WMZOPIPTSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000371527202 282302618 /nfs/dbraw/zinc/30/26/18/282302618.db2.gz HBONFUMGKNWUKR-WMZOPIPTSA-N 2 2 348.491 1.978 20 0 EDADLP CCOc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103151291 219263421 /nfs/dbraw/zinc/26/34/21/219263421.db2.gz HODYZKDZYRZJKO-UHFFFAOYSA-N 2 2 331.460 1.825 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[N@@H+]1C1CC1 ZINC000561407357 306287639 /nfs/dbraw/zinc/28/76/39/306287639.db2.gz FAVLSVCOWMQTOU-GOEBONIOSA-N 2 2 344.459 1.269 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C[N@H+]1C1CC1 ZINC000561407357 306287640 /nfs/dbraw/zinc/28/76/40/306287640.db2.gz FAVLSVCOWMQTOU-GOEBONIOSA-N 2 2 344.459 1.269 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000343009609 539775240 /nfs/dbraw/zinc/77/52/40/539775240.db2.gz HVYXNXHYPMXFGI-UKRRQHHQSA-N 2 2 349.479 1.032 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC3(CCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000343777240 539796021 /nfs/dbraw/zinc/79/60/21/539796021.db2.gz XVCYSMJHARUACF-IXDOHACOSA-N 2 2 325.497 1.017 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC3(CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000343777240 539796027 /nfs/dbraw/zinc/79/60/27/539796027.db2.gz XVCYSMJHARUACF-IXDOHACOSA-N 2 2 325.497 1.017 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1)C[NH+]1CCCC1 ZINC000562340455 306295912 /nfs/dbraw/zinc/29/59/12/306295912.db2.gz LVCZCBLTUPAAJG-GOEBONIOSA-N 2 2 342.447 1.086 20 0 EDADLP C[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000562653513 306304964 /nfs/dbraw/zinc/30/49/64/306304964.db2.gz XDCXUXDOEMPTIS-HNNXBMFYSA-N 2 2 341.459 1.709 20 0 EDADLP C[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000562653513 306304963 /nfs/dbraw/zinc/30/49/63/306304963.db2.gz XDCXUXDOEMPTIS-HNNXBMFYSA-N 2 2 341.459 1.709 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000562789237 306309023 /nfs/dbraw/zinc/30/90/23/306309023.db2.gz FNCBYMZEQDBKEE-SJORKVTESA-N 2 2 339.528 1.042 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000563150270 306320402 /nfs/dbraw/zinc/32/04/02/306320402.db2.gz MMKHCNBWTVIMEM-DZGCQCFKSA-N 2 2 333.398 1.863 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000563150270 306320403 /nfs/dbraw/zinc/32/04/03/306320403.db2.gz MMKHCNBWTVIMEM-DZGCQCFKSA-N 2 2 333.398 1.863 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373415719 283020055 /nfs/dbraw/zinc/02/00/55/283020055.db2.gz DNMBOXLXVMUXND-RUXDESIVSA-N 2 2 349.397 1.239 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373415719 283020060 /nfs/dbraw/zinc/02/00/60/283020060.db2.gz DNMBOXLXVMUXND-RUXDESIVSA-N 2 2 349.397 1.239 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1O ZINC000042227811 138106695 /nfs/dbraw/zinc/10/66/95/138106695.db2.gz YJZQAOKIOFTONL-SFHVURJKSA-N 2 2 342.439 1.910 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1O ZINC000042227811 138106698 /nfs/dbraw/zinc/10/66/98/138106698.db2.gz YJZQAOKIOFTONL-SFHVURJKSA-N 2 2 342.439 1.910 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC([NH+]4CCCC4)CC3)nc[nH+]2)C1 ZINC000413062796 304054714 /nfs/dbraw/zinc/05/47/14/304054714.db2.gz QDWWLMVECAATQP-HZPDHXFCSA-N 2 2 345.491 1.748 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC([NH+]4CCCC4)CC3)[nH+]cn2)C1 ZINC000413062796 304054716 /nfs/dbraw/zinc/05/47/16/304054716.db2.gz QDWWLMVECAATQP-HZPDHXFCSA-N 2 2 345.491 1.748 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000072859875 138211398 /nfs/dbraw/zinc/21/13/98/138211398.db2.gz CJKKVTLCUZLFMI-RDJZCZTQSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000072859875 138211399 /nfs/dbraw/zinc/21/13/99/138211399.db2.gz CJKKVTLCUZLFMI-RDJZCZTQSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000072859875 138211401 /nfs/dbraw/zinc/21/14/01/138211401.db2.gz CJKKVTLCUZLFMI-RDJZCZTQSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCc2cccc(OC)c2)C1 ZINC000072859875 138211403 /nfs/dbraw/zinc/21/14/03/138211403.db2.gz CJKKVTLCUZLFMI-RDJZCZTQSA-N 2 2 333.476 1.974 20 0 EDADLP C[C@@H](CCO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074357644 138231965 /nfs/dbraw/zinc/23/19/65/138231965.db2.gz FZXFFXJDTUCQLK-HNNXBMFYSA-N 2 2 326.485 1.007 20 0 EDADLP CC(C)C[C@@H](CNC(=O)NCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000078407253 138257347 /nfs/dbraw/zinc/25/73/47/138257347.db2.gz LHNVSXGQOUQXNL-INIZCTEOSA-N 2 2 337.468 1.319 20 0 EDADLP CC[NH+]1CCN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC1 ZINC000079182483 138260664 /nfs/dbraw/zinc/26/06/64/138260664.db2.gz QHCCTVUYUBBHLL-HNNXBMFYSA-N 2 2 347.463 1.154 20 0 EDADLP CCOCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000091726585 138284607 /nfs/dbraw/zinc/28/46/07/138284607.db2.gz WSFPETSWRYTRET-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103305938 138299276 /nfs/dbraw/zinc/29/92/76/138299276.db2.gz TYUGTCRXNLFZFF-UHFFFAOYSA-N 2 2 335.452 1.342 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4cc(C)ccn34)C2)CC1 ZINC000093132919 138291895 /nfs/dbraw/zinc/29/18/95/138291895.db2.gz ISFBTSPFTKNCEF-KRWDZBQOSA-N 2 2 327.476 1.855 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4cc(C)ccn34)C2)CC1 ZINC000093132919 138291896 /nfs/dbraw/zinc/29/18/96/138291896.db2.gz ISFBTSPFTKNCEF-KRWDZBQOSA-N 2 2 327.476 1.855 20 0 EDADLP CN(C(=O)c1cnn(C)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124779525 138329606 /nfs/dbraw/zinc/32/96/06/138329606.db2.gz WTDAEKOUTXKDPX-ROUUACIJSA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1cnn(C)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124779525 138329607 /nfs/dbraw/zinc/32/96/07/138329607.db2.gz WTDAEKOUTXKDPX-ROUUACIJSA-N 2 2 347.507 1.829 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124855439 138330188 /nfs/dbraw/zinc/33/01/88/138330188.db2.gz KQKQWMIOBQIFMD-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124855439 138330189 /nfs/dbraw/zinc/33/01/89/138330189.db2.gz KQKQWMIOBQIFMD-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)C2 ZINC000122278712 138318094 /nfs/dbraw/zinc/31/80/94/138318094.db2.gz UQWOGSGAATVFKU-CABCVRRESA-N 2 2 333.457 1.958 20 0 EDADLP C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000125269100 138332841 /nfs/dbraw/zinc/33/28/41/138332841.db2.gz RIBNUUJMEXLIJC-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@]1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[NH2+]C1 ZINC000563601507 306341374 /nfs/dbraw/zinc/34/13/74/306341374.db2.gz SPGVQQIYZPCOBV-GOSISDBHSA-N 2 2 331.464 1.299 20 0 EDADLP C[C@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000130940069 138349986 /nfs/dbraw/zinc/34/99/86/138349986.db2.gz STJOTWUREWBWIH-LSDHHAIUSA-N 2 2 345.451 1.756 20 0 EDADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000563694262 306345388 /nfs/dbraw/zinc/34/53/88/306345388.db2.gz DIATYGFHWSRQDW-PMPSAXMXSA-N 2 2 331.464 1.528 20 0 EDADLP c1nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000563731594 306346264 /nfs/dbraw/zinc/34/62/64/306346264.db2.gz MSYGEYAIPJYJCL-MRXNPFEDSA-N 2 2 331.464 1.990 20 0 EDADLP c1nc(NCC2CC2)cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH+]1 ZINC000563731594 306346265 /nfs/dbraw/zinc/34/62/65/306346265.db2.gz MSYGEYAIPJYJCL-MRXNPFEDSA-N 2 2 331.464 1.990 20 0 EDADLP NC(=O)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248461894 283343557 /nfs/dbraw/zinc/34/35/57/283343557.db2.gz XWPIKVYCTFKOML-RTBURBONSA-N 2 2 339.439 1.569 20 0 EDADLP NC(=O)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000248461894 283343558 /nfs/dbraw/zinc/34/35/58/283343558.db2.gz XWPIKVYCTFKOML-RTBURBONSA-N 2 2 339.439 1.569 20 0 EDADLP COC(=O)C[C@H](C)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368052835 291145029 /nfs/dbraw/zinc/14/50/29/291145029.db2.gz ZHBNYNFROXOMHN-HUUCEWRRSA-N 2 2 339.480 1.203 20 0 EDADLP COC(=O)C[C@H](C)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368052835 291145033 /nfs/dbraw/zinc/14/50/33/291145033.db2.gz ZHBNYNFROXOMHN-HUUCEWRRSA-N 2 2 339.480 1.203 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000564562962 306360730 /nfs/dbraw/zinc/36/07/30/306360730.db2.gz RRQHBVFPNBXAPN-DLBZAZTESA-N 2 2 332.423 1.693 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000564562962 306360731 /nfs/dbraw/zinc/36/07/31/306360731.db2.gz RRQHBVFPNBXAPN-DLBZAZTESA-N 2 2 332.423 1.693 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3nnc4n3CCC4)c2cc1C ZINC000564845374 306366743 /nfs/dbraw/zinc/36/67/43/306366743.db2.gz WUEGTGXMMZQRGD-AWEZNQCLSA-N 2 2 340.431 1.342 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564987222 306372271 /nfs/dbraw/zinc/37/22/71/306372271.db2.gz SSMOGYULBHCOHE-LJQANCHMSA-N 2 2 331.460 1.525 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564987222 306372272 /nfs/dbraw/zinc/37/22/72/306372272.db2.gz SSMOGYULBHCOHE-LJQANCHMSA-N 2 2 331.460 1.525 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000354602935 296032643 /nfs/dbraw/zinc/03/26/43/296032643.db2.gz MMZXURANKXSPOP-CVEARBPZSA-N 2 2 332.448 1.474 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC(=O)NC1CCCCC1 ZINC000072758842 216303030 /nfs/dbraw/zinc/30/30/30/216303030.db2.gz GCNAWGQXMDREED-INIZCTEOSA-N 2 2 338.496 1.951 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC(=O)NC1CCCCC1 ZINC000072758842 216303032 /nfs/dbraw/zinc/30/30/32/216303032.db2.gz GCNAWGQXMDREED-INIZCTEOSA-N 2 2 338.496 1.951 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC(=O)NC1CCCCC1 ZINC000072758842 216303036 /nfs/dbraw/zinc/30/30/36/216303036.db2.gz GCNAWGQXMDREED-INIZCTEOSA-N 2 2 338.496 1.951 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC(=O)NC1CCCCC1 ZINC000072758842 216303039 /nfs/dbraw/zinc/30/30/39/216303039.db2.gz GCNAWGQXMDREED-INIZCTEOSA-N 2 2 338.496 1.951 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000072859219 216317998 /nfs/dbraw/zinc/31/79/98/216317998.db2.gz IGYMWMRGLITAKC-JKSUJKDBSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000072859219 216318001 /nfs/dbraw/zinc/31/80/01/216318001.db2.gz IGYMWMRGLITAKC-JKSUJKDBSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000072859219 216318004 /nfs/dbraw/zinc/31/80/04/216318004.db2.gz IGYMWMRGLITAKC-JKSUJKDBSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000072859219 216318007 /nfs/dbraw/zinc/31/80/07/216318007.db2.gz IGYMWMRGLITAKC-JKSUJKDBSA-N 2 2 333.476 1.974 20 0 EDADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1(CC)CC ZINC000565706156 306389039 /nfs/dbraw/zinc/38/90/39/306389039.db2.gz WWBSCWGVXMXBBE-QLFBSQMISA-N 2 2 326.485 1.255 20 0 EDADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1(CC)CC ZINC000565706156 306389040 /nfs/dbraw/zinc/38/90/40/306389040.db2.gz WWBSCWGVXMXBBE-QLFBSQMISA-N 2 2 326.485 1.255 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000565707962 306389137 /nfs/dbraw/zinc/38/91/37/306389137.db2.gz IRXBIIBAPUGVSX-IJEWVQPXSA-N 2 2 333.432 1.065 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000565707962 306389138 /nfs/dbraw/zinc/38/91/38/306389138.db2.gz IRXBIIBAPUGVSX-IJEWVQPXSA-N 2 2 333.432 1.065 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000073236814 216367881 /nfs/dbraw/zinc/36/78/81/216367881.db2.gz IZTWRSJKWCVHEA-UHFFFAOYSA-N 2 2 347.463 1.024 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C(=O)N1c1ccccc1 ZINC000414356436 304111088 /nfs/dbraw/zinc/11/10/88/304111088.db2.gz DUDBKOWHDFPTHW-BBRMVZONSA-N 2 2 327.432 1.770 20 0 EDADLP Cc1[nH]c(=O)[nH]c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000565783341 306391717 /nfs/dbraw/zinc/39/17/17/306391717.db2.gz JTNGQRHLJICDHW-UHFFFAOYSA-N 2 2 335.452 1.104 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000566063990 306397373 /nfs/dbraw/zinc/39/73/73/306397373.db2.gz UNGGWPCZDSGNKL-GDBMZVCRSA-N 2 2 342.867 1.638 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000366104680 284115497 /nfs/dbraw/zinc/11/54/97/284115497.db2.gz GWTFUWINSDQEGQ-CQSZACIVSA-N 2 2 331.464 1.927 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000366104680 284115499 /nfs/dbraw/zinc/11/54/99/284115499.db2.gz GWTFUWINSDQEGQ-CQSZACIVSA-N 2 2 331.464 1.927 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000366104680 284115500 /nfs/dbraw/zinc/11/55/00/284115500.db2.gz GWTFUWINSDQEGQ-CQSZACIVSA-N 2 2 331.464 1.927 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000366104680 284115502 /nfs/dbraw/zinc/11/55/02/284115502.db2.gz GWTFUWINSDQEGQ-CQSZACIVSA-N 2 2 331.464 1.927 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1OC ZINC000415032676 304152650 /nfs/dbraw/zinc/15/26/50/304152650.db2.gz GIJHBFXFELPWLH-INIZCTEOSA-N 2 2 335.448 1.440 20 0 EDADLP COc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000415119614 304161341 /nfs/dbraw/zinc/16/13/41/304161341.db2.gz ZABCFZQCHYDVOC-ZDUSSCGKSA-N 2 2 326.462 1.975 20 0 EDADLP COc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000415119614 304161342 /nfs/dbraw/zinc/16/13/42/304161342.db2.gz ZABCFZQCHYDVOC-ZDUSSCGKSA-N 2 2 326.462 1.975 20 0 EDADLP COCCC[NH+]1CCC(N[C@H](c2[nH]cc[nH+]2)c2cccnc2)CC1 ZINC000195020934 139004903 /nfs/dbraw/zinc/00/49/03/139004903.db2.gz ROFUAFQVANHGMX-KRWDZBQOSA-N 2 2 329.448 1.985 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000236922344 139035391 /nfs/dbraw/zinc/03/53/91/139035391.db2.gz IAZKTYSNDWFPTP-QGZVFWFLSA-N 2 2 335.448 1.475 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000496172822 284349263 /nfs/dbraw/zinc/34/92/63/284349263.db2.gz SPQSUJVYPNSRAC-ILXRZTDVSA-N 2 2 327.469 1.240 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000496172822 284349268 /nfs/dbraw/zinc/34/92/68/284349268.db2.gz SPQSUJVYPNSRAC-ILXRZTDVSA-N 2 2 327.469 1.240 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000496172822 284349271 /nfs/dbraw/zinc/34/92/71/284349271.db2.gz SPQSUJVYPNSRAC-ILXRZTDVSA-N 2 2 327.469 1.240 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC000496172822 284349276 /nfs/dbraw/zinc/34/92/76/284349276.db2.gz SPQSUJVYPNSRAC-ILXRZTDVSA-N 2 2 327.469 1.240 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000237442162 139051461 /nfs/dbraw/zinc/05/14/61/139051461.db2.gz PLNZBBZTWMZDMK-CLCXKQKWSA-N 2 2 346.475 1.701 20 0 EDADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080466554 217306283 /nfs/dbraw/zinc/30/62/83/217306283.db2.gz BJBYYWWKSJSWEK-GOSISDBHSA-N 2 2 349.450 1.629 20 0 EDADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080466554 217306285 /nfs/dbraw/zinc/30/62/85/217306285.db2.gz BJBYYWWKSJSWEK-GOSISDBHSA-N 2 2 349.450 1.629 20 0 EDADLP C[C@H]([C@H](C)NC(=O)C1(c2ccccc2)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000237563903 139054302 /nfs/dbraw/zinc/05/43/02/139054302.db2.gz GQMVITDQGVRRGR-DLBZAZTESA-N 2 2 345.487 1.533 20 0 EDADLP CN(C(=O)c1cnccn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245717106 139084136 /nfs/dbraw/zinc/08/41/36/139084136.db2.gz OXFKBWGVERSAMO-QZTJIDSGSA-N 2 2 345.491 1.886 20 0 EDADLP CN(C(=O)c1cnccn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245717106 139084137 /nfs/dbraw/zinc/08/41/37/139084137.db2.gz OXFKBWGVERSAMO-QZTJIDSGSA-N 2 2 345.491 1.886 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccccc3)C2)CC1 ZINC000245922866 139089925 /nfs/dbraw/zinc/08/99/25/139089925.db2.gz MXMVJOUHODCRFS-MJGOQNOKSA-N 2 2 344.503 1.403 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)NCc3ccccc3)C2)CC1 ZINC000245922866 139089926 /nfs/dbraw/zinc/08/99/26/139089926.db2.gz MXMVJOUHODCRFS-MJGOQNOKSA-N 2 2 344.503 1.403 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246155334 139096951 /nfs/dbraw/zinc/09/69/51/139096951.db2.gz GNCSIVLMQVPPRV-HOTGVXAUSA-N 2 2 339.480 1.108 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246155334 139096952 /nfs/dbraw/zinc/09/69/52/139096952.db2.gz GNCSIVLMQVPPRV-HOTGVXAUSA-N 2 2 339.480 1.108 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515804 139111750 /nfs/dbraw/zinc/11/17/50/139111750.db2.gz ILWPFLQCQJSLLG-BQFCYCMXSA-N 2 2 337.508 1.866 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246515804 139111751 /nfs/dbraw/zinc/11/17/51/139111751.db2.gz ILWPFLQCQJSLLG-BQFCYCMXSA-N 2 2 337.508 1.866 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246515804 139111752 /nfs/dbraw/zinc/11/17/52/139111752.db2.gz ILWPFLQCQJSLLG-BQFCYCMXSA-N 2 2 337.508 1.866 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246515804 139111753 /nfs/dbraw/zinc/11/17/53/139111753.db2.gz ILWPFLQCQJSLLG-BQFCYCMXSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000246657491 139116645 /nfs/dbraw/zinc/11/66/45/139116645.db2.gz RMZSPFIAGYNZBF-RBUKOAKNSA-N 2 2 348.487 1.779 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000246657491 139116646 /nfs/dbraw/zinc/11/66/46/139116646.db2.gz RMZSPFIAGYNZBF-RBUKOAKNSA-N 2 2 348.487 1.779 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246776890 139121207 /nfs/dbraw/zinc/12/12/07/139121207.db2.gz OKZPJJNFARDKPE-WMZOPIPTSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246776890 139121208 /nfs/dbraw/zinc/12/12/08/139121208.db2.gz OKZPJJNFARDKPE-WMZOPIPTSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000247782822 139154948 /nfs/dbraw/zinc/15/49/48/139154948.db2.gz XWTKDTFNDGRJDZ-GHMZBOCLSA-N 2 2 347.341 1.154 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000247782822 139154949 /nfs/dbraw/zinc/15/49/49/139154949.db2.gz XWTKDTFNDGRJDZ-GHMZBOCLSA-N 2 2 347.341 1.154 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248119444 139158317 /nfs/dbraw/zinc/15/83/17/139158317.db2.gz NDZHKMFXAMATNA-ZWKOTPCHSA-N 2 2 345.487 1.770 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248119444 139158318 /nfs/dbraw/zinc/15/83/18/139158318.db2.gz NDZHKMFXAMATNA-ZWKOTPCHSA-N 2 2 345.487 1.770 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248119444 139158319 /nfs/dbraw/zinc/15/83/19/139158319.db2.gz NDZHKMFXAMATNA-ZWKOTPCHSA-N 2 2 345.487 1.770 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248119444 139158320 /nfs/dbraw/zinc/15/83/20/139158320.db2.gz NDZHKMFXAMATNA-ZWKOTPCHSA-N 2 2 345.487 1.770 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000248068444 139157818 /nfs/dbraw/zinc/15/78/18/139157818.db2.gz MIVIPMPHKQCNPZ-RTBURBONSA-N 2 2 327.472 1.987 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000248068444 139157819 /nfs/dbraw/zinc/15/78/19/139157819.db2.gz MIVIPMPHKQCNPZ-RTBURBONSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000248068444 139157820 /nfs/dbraw/zinc/15/78/20/139157820.db2.gz MIVIPMPHKQCNPZ-RTBURBONSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000248068444 139157821 /nfs/dbraw/zinc/15/78/21/139157821.db2.gz MIVIPMPHKQCNPZ-RTBURBONSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000415399403 304213788 /nfs/dbraw/zinc/21/37/88/304213788.db2.gz RMZNSSLIXMDWQZ-ZDUSSCGKSA-N 2 2 341.415 1.397 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415406108 304215136 /nfs/dbraw/zinc/21/51/36/304215136.db2.gz OBTDFQRDAUNXGZ-CQSZACIVSA-N 2 2 341.415 1.317 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000248837342 139177185 /nfs/dbraw/zinc/17/71/85/139177185.db2.gz HBMHVHDDLZOEQZ-KBAYOESNSA-N 2 2 346.475 1.936 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000248837342 139177186 /nfs/dbraw/zinc/17/71/86/139177186.db2.gz HBMHVHDDLZOEQZ-KBAYOESNSA-N 2 2 346.475 1.936 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+]1CCO ZINC000249493368 139194278 /nfs/dbraw/zinc/19/42/78/139194278.db2.gz FWJZOQJFZLSQRY-PKOBYXMFSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1CCO ZINC000249493368 139194279 /nfs/dbraw/zinc/19/42/79/139194279.db2.gz FWJZOQJFZLSQRY-PKOBYXMFSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000249493368 139194280 /nfs/dbraw/zinc/19/42/80/139194280.db2.gz FWJZOQJFZLSQRY-PKOBYXMFSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000249493368 139194281 /nfs/dbraw/zinc/19/42/81/139194281.db2.gz FWJZOQJFZLSQRY-PKOBYXMFSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000261607851 139210431 /nfs/dbraw/zinc/21/04/31/139210431.db2.gz CZYJWIFOYIHVTN-AEFFLSMTSA-N 2 2 330.476 1.752 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261745849 139222561 /nfs/dbraw/zinc/22/25/61/139222561.db2.gz MYLCBTAVYXGSTN-BMFZPTHFSA-N 2 2 325.416 1.478 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261745849 139222562 /nfs/dbraw/zinc/22/25/62/139222562.db2.gz MYLCBTAVYXGSTN-BMFZPTHFSA-N 2 2 325.416 1.478 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)C[C@H](C)[NH3+])c2[nH+]ccn2C)c1 ZINC000261834997 139230113 /nfs/dbraw/zinc/23/01/13/139230113.db2.gz NJADNCNYTJANLT-MEDUHNTESA-N 2 2 332.404 1.380 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261836083 139230261 /nfs/dbraw/zinc/23/02/61/139230261.db2.gz QJBDJCLVXWTNHY-IBGZPJMESA-N 2 2 349.475 1.723 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261836083 139230262 /nfs/dbraw/zinc/23/02/62/139230262.db2.gz QJBDJCLVXWTNHY-IBGZPJMESA-N 2 2 349.475 1.723 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000261887414 139234137 /nfs/dbraw/zinc/23/41/37/139234137.db2.gz VDVGRMHIDNYPDF-HNNXBMFYSA-N 2 2 345.365 1.872 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000261887414 139234138 /nfs/dbraw/zinc/23/41/38/139234138.db2.gz VDVGRMHIDNYPDF-HNNXBMFYSA-N 2 2 345.365 1.872 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000261937120 139238512 /nfs/dbraw/zinc/23/85/12/139238512.db2.gz UCLHGMRVJIBOPH-BZSNNMDCSA-N 2 2 328.460 1.647 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@@H]1CCC[NH2+]C1)CC2 ZINC000262177781 139257660 /nfs/dbraw/zinc/25/76/60/139257660.db2.gz IKTXVCRZCTWSKI-CQSZACIVSA-N 2 2 347.459 1.178 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@@H]1CCC[NH2+]C1)CC2 ZINC000262177781 139257661 /nfs/dbraw/zinc/25/76/61/139257661.db2.gz IKTXVCRZCTWSKI-CQSZACIVSA-N 2 2 347.459 1.178 20 0 EDADLP Cc1ccc([C@@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)[NH+](C)C)cc1 ZINC000569326204 306503336 /nfs/dbraw/zinc/50/33/36/306503336.db2.gz MLHBQOMDVCLUSI-KOHRHEQBSA-N 2 2 344.459 1.708 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)COc1cccc2[nH]ccc21 ZINC000569333859 306503733 /nfs/dbraw/zinc/50/37/33/306503733.db2.gz ZZULGNBRECMVHR-KGLIPLIRSA-N 2 2 326.400 1.709 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416876112 251115775 /nfs/dbraw/zinc/11/57/75/251115775.db2.gz BYLKBLCNYRIKFZ-CABCVRRESA-N 2 2 327.432 1.881 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H]2C)[NH+]2CCOCC2)c1 ZINC000416997016 251123512 /nfs/dbraw/zinc/12/35/12/251123512.db2.gz NXDGVYDCKIILAW-NJAFHUGGSA-N 2 2 346.475 1.499 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000262334780 139271145 /nfs/dbraw/zinc/27/11/45/139271145.db2.gz WOKVTBQWBOAJNO-IBGZPJMESA-N 2 2 346.475 1.723 20 0 EDADLP COc1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000262340455 139271560 /nfs/dbraw/zinc/27/15/60/139271560.db2.gz SZKDUHUZMZYPAG-OLMNPRSZSA-N 2 2 347.459 1.325 20 0 EDADLP CC(C)([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417586449 251198808 /nfs/dbraw/zinc/19/88/08/251198808.db2.gz QYONYPDEVPVGDQ-GFCCVEGCSA-N 2 2 340.418 1.966 20 0 EDADLP CC(C)([NH3+])CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417586449 251198809 /nfs/dbraw/zinc/19/88/09/251198809.db2.gz QYONYPDEVPVGDQ-GFCCVEGCSA-N 2 2 340.418 1.966 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000417656254 251213580 /nfs/dbraw/zinc/21/35/80/251213580.db2.gz GDQBEQDDNDYUOL-IUODEOHRSA-N 2 2 340.418 1.961 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC[NH2+]1 ZINC000417662521 251217325 /nfs/dbraw/zinc/21/73/25/251217325.db2.gz SDZBEALARHEGPC-BXUZGUMPSA-N 2 2 326.391 1.571 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417660578 251218050 /nfs/dbraw/zinc/21/80/50/251218050.db2.gz NHDOFOCJGNIVCZ-FZMZJTMJSA-N 2 2 328.407 1.994 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417605868 251205062 /nfs/dbraw/zinc/20/50/62/251205062.db2.gz ZBWHNIUUCHBKKQ-FUHWJXTLSA-N 2 2 348.491 1.085 20 0 EDADLP C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000417772603 251264316 /nfs/dbraw/zinc/26/43/16/251264316.db2.gz IANYQRUPZQADNY-BBRMVZONSA-N 2 2 329.404 1.302 20 0 EDADLP C[C@@H](NC(=O)N1CCO[C@H](C[NH3+])C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000417772607 251264610 /nfs/dbraw/zinc/26/46/10/251264610.db2.gz IANYQRUPZQADNY-CZUORRHYSA-N 2 2 329.404 1.302 20 0 EDADLP C[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417838107 251292587 /nfs/dbraw/zinc/29/25/87/251292587.db2.gz VTFSGZHLMXLFDY-OLZOCXBDSA-N 2 2 326.466 1.029 20 0 EDADLP C[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417838107 251292589 /nfs/dbraw/zinc/29/25/89/251292589.db2.gz VTFSGZHLMXLFDY-OLZOCXBDSA-N 2 2 326.466 1.029 20 0 EDADLP C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCCCC[NH3+])c2cccs2)CCO1 ZINC000417814792 251280440 /nfs/dbraw/zinc/28/04/40/251280440.db2.gz HTCMKQLXLWGUFJ-KBPBESRZSA-N 2 2 340.493 1.548 20 0 EDADLP C[C@H]1C[N@H+]([C@@H](CNC(=O)NCCCC[NH3+])c2cccs2)CCO1 ZINC000417814792 251280444 /nfs/dbraw/zinc/28/04/44/251280444.db2.gz HTCMKQLXLWGUFJ-KBPBESRZSA-N 2 2 340.493 1.548 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H](CNC(=O)NC(C)(C)C[NH3+])c2cccs2)CCO1 ZINC000417814862 251280944 /nfs/dbraw/zinc/28/09/44/251280944.db2.gz HXEPJNKEWLCZHV-CHWSQXEVSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@@H]1C[N@H+]([C@H](CNC(=O)NC(C)(C)C[NH3+])c2cccs2)CCO1 ZINC000417814862 251280947 /nfs/dbraw/zinc/28/09/47/251280947.db2.gz HXEPJNKEWLCZHV-CHWSQXEVSA-N 2 2 340.493 1.546 20 0 EDADLP C[NH2+]CCC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000262558546 139286482 /nfs/dbraw/zinc/28/64/82/139286482.db2.gz QDNUHNIRGICAQO-MRXNPFEDSA-N 2 2 332.404 1.252 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000262664782 139294483 /nfs/dbraw/zinc/29/44/83/139294483.db2.gz IVBVZWXYOOUEJR-CABCVRRESA-N 2 2 344.459 1.333 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1(C)C ZINC000188193196 272955170 /nfs/dbraw/zinc/95/51/70/272955170.db2.gz NCFKQKJNHZMPMJ-DNVCBOLYSA-N 2 2 348.491 1.961 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000262669874 139295007 /nfs/dbraw/zinc/29/50/07/139295007.db2.gz NBOCLHPLGZKHKH-SQNIBIBYSA-N 2 2 331.460 1.612 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262850899 139307932 /nfs/dbraw/zinc/30/79/32/139307932.db2.gz SGVNTCLOUMUIGX-IIDMSEBBSA-N 2 2 348.466 1.450 20 0 EDADLP C[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415601004 304236802 /nfs/dbraw/zinc/23/68/02/304236802.db2.gz OWNCRSSQCSSMLE-GFCCVEGCSA-N 2 2 341.415 1.288 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422860859 252003605 /nfs/dbraw/zinc/00/36/05/252003605.db2.gz LYHQCSSDQRRYPF-AZUAARDMSA-N 3 2 332.536 1.952 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422860859 252003609 /nfs/dbraw/zinc/00/36/09/252003609.db2.gz LYHQCSSDQRRYPF-AZUAARDMSA-N 3 2 332.536 1.952 20 0 EDADLP FC(F)COc1cnccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423093704 252036216 /nfs/dbraw/zinc/03/62/16/252036216.db2.gz ACPWZMCOPJCGRC-ZBFHGGJFSA-N 2 2 327.375 1.582 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(I)cc1 ZINC000423523874 252060026 /nfs/dbraw/zinc/06/00/26/252060026.db2.gz NVGDZJAMEUWCDH-ZWNOBZJWSA-N 2 2 346.212 1.930 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000423790591 252076381 /nfs/dbraw/zinc/07/63/81/252076381.db2.gz UHKDWWMRFOBGBS-JJXSEGSLSA-N 2 2 337.464 1.003 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000423794000 252077752 /nfs/dbraw/zinc/07/77/52/252077752.db2.gz CXKQAFLMSLDUBS-MAUKXSAKSA-N 2 2 338.455 1.916 20 0 EDADLP COC(=O)C1(C)C[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000424133009 252136282 /nfs/dbraw/zinc/13/62/82/252136282.db2.gz LOZUGXXJRBKQRH-AWEZNQCLSA-N 2 2 331.416 1.509 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424277826 252188854 /nfs/dbraw/zinc/18/88/54/252188854.db2.gz AYSZBAIUYPSFDN-HUUCEWRRSA-N 2 2 335.448 1.522 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424319686 252196270 /nfs/dbraw/zinc/19/62/70/252196270.db2.gz HAKDGGNQCKFQPW-SOLBZPMBSA-N 2 2 330.476 1.750 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424319686 252196272 /nfs/dbraw/zinc/19/62/72/252196272.db2.gz HAKDGGNQCKFQPW-SOLBZPMBSA-N 2 2 330.476 1.750 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3CCCC[C@H]3[NH3+])CC2)c1 ZINC000424335796 252197165 /nfs/dbraw/zinc/19/71/65/252197165.db2.gz PGTFLEDUCPBLLK-RTBURBONSA-N 3 2 344.503 1.499 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CN[C@@H]3CCCC[C@H]3[NH3+])CC2)c1 ZINC000424335796 252197170 /nfs/dbraw/zinc/19/71/70/252197170.db2.gz PGTFLEDUCPBLLK-RTBURBONSA-N 2 2 344.503 1.499 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H]3CCCC[C@H]3[NH3+])C2=O)c1 ZINC000424337549 252198204 /nfs/dbraw/zinc/19/82/04/252198204.db2.gz SEIHGMFKEJYALM-BRWVUGGUSA-N 2 2 333.432 1.669 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000424449490 252235747 /nfs/dbraw/zinc/23/57/47/252235747.db2.gz SQIODCPPOMFDEO-SMDDNHRTSA-N 2 2 327.388 1.411 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000262997437 139316720 /nfs/dbraw/zinc/31/67/20/139316720.db2.gz OKGKKOXUOCQQIN-FUHWJXTLSA-N 2 2 334.464 1.843 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000569723488 306517957 /nfs/dbraw/zinc/51/79/57/306517957.db2.gz JHCJHMYWLPFKOC-JKSUJKDBSA-N 2 2 344.415 1.618 20 0 EDADLP O=S1(=O)CC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000333009282 285064718 /nfs/dbraw/zinc/06/47/18/285064718.db2.gz FLDMFEMKBMBIKU-AWEZNQCLSA-N 2 2 337.489 1.834 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415674797 304253937 /nfs/dbraw/zinc/25/39/37/304253937.db2.gz LHCCMDHZRZYHSX-WFASDCNBSA-N 2 2 341.415 1.282 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+](CC(=O)NC3CCCC3)CC2)CC1 ZINC000112358883 220312936 /nfs/dbraw/zinc/31/29/36/220312936.db2.gz JSXRTBKSTVBVBO-UHFFFAOYSA-N 2 2 336.524 1.537 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)C2 ZINC000112739057 220391027 /nfs/dbraw/zinc/39/10/27/220391027.db2.gz VUDWVHFCEBXAKD-ZDUSSCGKSA-N 2 2 330.436 1.896 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442792271 254564523 /nfs/dbraw/zinc/56/45/23/254564523.db2.gz PTJFJXGWAXXDEO-JWTNVVGKSA-N 2 2 331.460 1.664 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442792271 254564524 /nfs/dbraw/zinc/56/45/24/254564524.db2.gz PTJFJXGWAXXDEO-JWTNVVGKSA-N 2 2 331.460 1.664 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415771022 304267604 /nfs/dbraw/zinc/26/76/04/304267604.db2.gz RJSJCDXFBUGABA-CJNGLKHVSA-N 2 2 339.399 1.021 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](CO)[C@@H]3C)CC2)c1 ZINC000488713818 255050242 /nfs/dbraw/zinc/05/02/42/255050242.db2.gz CZSDXTBYHXORDQ-HKUYNNGSSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](CO)[C@@H]3C)CC2)c1 ZINC000488713818 255050244 /nfs/dbraw/zinc/05/02/44/255050244.db2.gz CZSDXTBYHXORDQ-HKUYNNGSSA-N 2 2 345.487 1.342 20 0 EDADLP C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000495261676 255276243 /nfs/dbraw/zinc/27/62/43/255276243.db2.gz ZXVZYKGPIFPQGV-QFBILLFUSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000495261676 255276244 /nfs/dbraw/zinc/27/62/44/255276244.db2.gz ZXVZYKGPIFPQGV-QFBILLFUSA-N 2 2 349.475 1.407 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495755652 255321372 /nfs/dbraw/zinc/32/13/72/255321372.db2.gz WLYALPROHPVECO-KFWWJZLASA-N 2 2 329.485 1.989 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495755652 255321373 /nfs/dbraw/zinc/32/13/73/255321373.db2.gz WLYALPROHPVECO-KFWWJZLASA-N 2 2 329.485 1.989 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H](OCC3CC3)C1)C[NH+]1CCC2CC1 ZINC000495860243 255332941 /nfs/dbraw/zinc/33/29/41/255332941.db2.gz XVCKSAKTSKSXJG-IEBWSBKVSA-N 2 2 349.475 1.752 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H](OCC3CC3)C1)C[NH+]1CCC2CC1 ZINC000495860243 255332942 /nfs/dbraw/zinc/33/29/42/255332942.db2.gz XVCKSAKTSKSXJG-IEBWSBKVSA-N 2 2 349.475 1.752 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373739455 285279501 /nfs/dbraw/zinc/27/95/01/285279501.db2.gz XWXSMCVQTKZLIE-SJORKVTESA-N 3 2 347.507 1.320 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373739455 285279502 /nfs/dbraw/zinc/27/95/02/285279502.db2.gz XWXSMCVQTKZLIE-SJORKVTESA-N 3 2 347.507 1.320 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000263991801 139374367 /nfs/dbraw/zinc/37/43/67/139374367.db2.gz GSMLCPUDMLAAJY-JKSUJKDBSA-N 2 2 345.422 1.994 20 0 EDADLP CC1CCN(C(=O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000119575017 221351946 /nfs/dbraw/zinc/35/19/46/221351946.db2.gz XRXHPYQYWJUSLX-DFNIBXOVSA-N 2 2 348.535 1.488 20 0 EDADLP CC1CCN(C(=O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000119575017 221351949 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332.492 1.869 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(C(N)=O)cc2)nc[nH+]1 ZINC000264315427 139396508 /nfs/dbraw/zinc/39/65/08/139396508.db2.gz HYNGVZJQVIJWJN-OAHLLOKOSA-N 2 2 340.431 1.376 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc(N(C)C)nc2)nc[nH+]1 ZINC000264353508 139399509 /nfs/dbraw/zinc/39/95/09/139399509.db2.gz HSTHHAYJYZOYRK-AWEZNQCLSA-N 2 2 342.451 1.133 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000570986500 306555384 /nfs/dbraw/zinc/55/53/84/306555384.db2.gz DVCSYFBDPWXZAQ-UHFFFAOYSA-N 2 2 337.445 1.438 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)nc(C(C)C)[nH+]1 ZINC000051593610 132181787 /nfs/dbraw/zinc/18/17/87/132181787.db2.gz YQFSFLRULCADMI-INIZCTEOSA-N 2 2 344.463 1.288 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000271433821 140295557 /nfs/dbraw/zinc/29/55/57/140295557.db2.gz CIJAINQDNDYIJS-GXTWGEPZSA-N 2 2 338.477 1.035 20 0 EDADLP CC[C@H](C(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000416301448 304305907 /nfs/dbraw/zinc/30/59/07/304305907.db2.gz FLHJEGWWEBLXGF-JENIJYKNSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000416301448 304305908 /nfs/dbraw/zinc/30/59/08/304305908.db2.gz FLHJEGWWEBLXGF-JENIJYKNSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000416301448 304305910 /nfs/dbraw/zinc/30/59/10/304305910.db2.gz FLHJEGWWEBLXGF-JENIJYKNSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000416301448 304305912 /nfs/dbraw/zinc/30/59/12/304305912.db2.gz FLHJEGWWEBLXGF-JENIJYKNSA-N 2 2 347.503 1.811 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000331405364 141018636 /nfs/dbraw/zinc/01/86/36/141018636.db2.gz QEIDXOSLTHHWMT-UHFFFAOYSA-N 2 2 330.432 1.572 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000331524517 141043034 /nfs/dbraw/zinc/04/30/34/141043034.db2.gz DDBZJTNNOCUETC-QZTJIDSGSA-N 2 2 349.450 1.534 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000331524517 141043036 /nfs/dbraw/zinc/04/30/36/141043036.db2.gz DDBZJTNNOCUETC-QZTJIDSGSA-N 2 2 349.450 1.534 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)C[C@H]1[NH3+] ZINC000331870617 141091860 /nfs/dbraw/zinc/09/18/60/141091860.db2.gz MNDWHYBSTLKTOI-DSJMHWKBSA-N 2 2 347.463 1.184 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000332558632 141202972 /nfs/dbraw/zinc/20/29/72/141202972.db2.gz SZHTVYKALACWNG-UKRRQHHQSA-N 2 2 347.463 1.818 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000332563705 141204004 /nfs/dbraw/zinc/20/40/04/141204004.db2.gz WLHAMISTOCEJEE-ZFWWWQNUSA-N 2 2 347.463 1.675 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000333379597 141308884 /nfs/dbraw/zinc/30/88/84/141308884.db2.gz WASNDCYYELIBRV-RDTXWAMCSA-N 2 2 344.459 1.659 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c[nH+]2)CC1 ZINC000333395266 141311198 /nfs/dbraw/zinc/31/11/98/141311198.db2.gz AEUHJHPTOQEBCG-SJORKVTESA-N 2 2 343.475 1.821 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000333629406 141347334 /nfs/dbraw/zinc/34/73/34/141347334.db2.gz GIDYIBYVJMECBB-LSDHHAIUSA-N 2 2 327.432 1.881 20 0 EDADLP Cc1cc(C)c(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c[nH+]1 ZINC000333658885 141351588 /nfs/dbraw/zinc/35/15/88/141351588.db2.gz LSCZENLIKCIZDB-ZWKOTPCHSA-N 2 2 346.475 1.875 20 0 EDADLP COCc1nnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000339357679 142026532 /nfs/dbraw/zinc/02/65/32/142026532.db2.gz IXEIUBKUAMTNQA-PBWFPOADSA-N 2 2 337.493 1.432 20 0 EDADLP COCc1nnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000339357679 142026534 /nfs/dbraw/zinc/02/65/34/142026534.db2.gz IXEIUBKUAMTNQA-PBWFPOADSA-N 2 2 337.493 1.432 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C ZINC000339573554 142081173 /nfs/dbraw/zinc/08/11/73/142081173.db2.gz LVXROZYFWFBPCZ-CVEARBPZSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C ZINC000339573554 142081176 /nfs/dbraw/zinc/08/11/76/142081176.db2.gz LVXROZYFWFBPCZ-CVEARBPZSA-N 2 2 331.460 1.475 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000339620796 142097510 /nfs/dbraw/zinc/09/75/10/142097510.db2.gz DMRAJCNTFBFZIM-ZIAGYGMSSA-N 2 2 331.420 1.815 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@H]2CC2CCC2)CC1 ZINC000339775503 142152234 /nfs/dbraw/zinc/15/22/34/142152234.db2.gz HRFXYSODJMLYOX-GOSISDBHSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@H]2CC2CCC2)CC1 ZINC000339775503 142152235 /nfs/dbraw/zinc/15/22/35/142152235.db2.gz HRFXYSODJMLYOX-GOSISDBHSA-N 2 2 337.508 1.866 20 0 EDADLP O=C(C[N@H+]1CC=C(C(F)(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000339821903 142168235 /nfs/dbraw/zinc/16/82/35/142168235.db2.gz LRCMWKZJBKDHQV-UHFFFAOYSA-N 2 2 331.382 1.924 20 0 EDADLP O=C(C[N@@H+]1CC=C(C(F)(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000339821903 142168237 /nfs/dbraw/zinc/16/82/37/142168237.db2.gz LRCMWKZJBKDHQV-UHFFFAOYSA-N 2 2 331.382 1.924 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)nn1 ZINC000344837453 143018112 /nfs/dbraw/zinc/01/81/12/143018112.db2.gz MCLDGNIWJNTZAI-UHFFFAOYSA-N 2 2 344.350 1.066 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000345059732 143045317 /nfs/dbraw/zinc/04/53/17/143045317.db2.gz KBYPOWDANHVNBH-UHFFFAOYSA-N 2 2 343.431 1.007 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)c[nH+]1 ZINC000345099756 143050204 /nfs/dbraw/zinc/05/02/04/143050204.db2.gz DZRYLIWPIBTVEG-QAPCUYQASA-N 2 2 327.432 1.618 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)c1cnn(C)c1 ZINC000345306698 143075951 /nfs/dbraw/zinc/07/59/51/143075951.db2.gz QTTFJUUXJXLRKI-PNPHSEOMSA-N 2 2 342.447 1.699 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2CS(=O)(=O)C2)[C@H](C)C1 ZINC000345635962 143114817 /nfs/dbraw/zinc/11/48/17/143114817.db2.gz JCIADTDTVJMSFH-GDBMZVCRSA-N 2 2 332.510 1.148 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CS(=O)(=O)C2)[C@H](C)C1 ZINC000345635962 143114818 /nfs/dbraw/zinc/11/48/18/143114818.db2.gz JCIADTDTVJMSFH-GDBMZVCRSA-N 2 2 332.510 1.148 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CC(F)F)c[nH+]2)CC1 ZINC000345693697 143122347 /nfs/dbraw/zinc/12/23/47/143122347.db2.gz OKBBLBOZVQKEOM-CYBMUJFWSA-N 2 2 326.391 1.917 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CCOC1 ZINC000345883772 143143184 /nfs/dbraw/zinc/14/31/84/143143184.db2.gz MWZSRWHVBGCRAC-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CCOC1 ZINC000345883772 143143185 /nfs/dbraw/zinc/14/31/85/143143185.db2.gz MWZSRWHVBGCRAC-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC000346309599 143190054 /nfs/dbraw/zinc/19/00/54/143190054.db2.gz MSUJGFVRGABHTN-HOTGVXAUSA-N 3 2 330.480 1.791 20 0 EDADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC000346309599 143190055 /nfs/dbraw/zinc/19/00/55/143190055.db2.gz MSUJGFVRGABHTN-HOTGVXAUSA-N 3 2 330.480 1.791 20 0 EDADLP C[NH+]1CCC(CCO)(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000346471886 143208464 /nfs/dbraw/zinc/20/84/64/143208464.db2.gz DIUQGKIROZPCBF-UHFFFAOYSA-N 2 2 328.416 1.449 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346550961 143215836 /nfs/dbraw/zinc/21/58/36/143215836.db2.gz DZGSCXNKUVXMHG-DNVCBOLYSA-N 2 2 343.450 1.931 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000346557807 143216308 /nfs/dbraw/zinc/21/63/08/143216308.db2.gz IPYGREKLJVRPIZ-OWCLPIDISA-N 2 2 335.452 1.196 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000346557807 143216309 /nfs/dbraw/zinc/21/63/09/143216309.db2.gz IPYGREKLJVRPIZ-OWCLPIDISA-N 2 2 335.452 1.196 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)CC[N@@H+]1C ZINC000346685282 143231650 /nfs/dbraw/zinc/23/16/50/143231650.db2.gz XWLDNGQJQKXMCV-ULQDDVLXSA-N 2 2 330.476 1.953 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)CC[N@H+]1C ZINC000346685282 143231651 /nfs/dbraw/zinc/23/16/51/143231651.db2.gz XWLDNGQJQKXMCV-ULQDDVLXSA-N 2 2 330.476 1.953 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)Cn2c(C)[nH+]c3ccccc32)[N@H+](C)C1 ZINC000346704907 143234898 /nfs/dbraw/zinc/23/48/98/143234898.db2.gz ZMKZULALANNNSK-HUUCEWRRSA-N 2 2 330.432 1.522 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)Cn2c(C)[nH+]c3ccccc32)[N@@H+](C)C1 ZINC000346704907 143234899 /nfs/dbraw/zinc/23/48/99/143234899.db2.gz ZMKZULALANNNSK-HUUCEWRRSA-N 2 2 330.432 1.522 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)[N@H+](C)C1 ZINC000346709685 143235804 /nfs/dbraw/zinc/23/58/04/143235804.db2.gz UGZQMBOJZURUCH-IAGOWNOFSA-N 2 2 328.416 1.663 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)[N@@H+](C)C1 ZINC000346709685 143235805 /nfs/dbraw/zinc/23/58/05/143235805.db2.gz UGZQMBOJZURUCH-IAGOWNOFSA-N 2 2 328.416 1.663 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000346821842 143249077 /nfs/dbraw/zinc/24/90/77/143249077.db2.gz DKEBFIXPORWLKD-SQNIBIBYSA-N 2 2 336.524 1.299 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000347157581 143288971 /nfs/dbraw/zinc/28/89/71/143288971.db2.gz STWVGVFBAMASGY-ZENOOKHLSA-N 2 2 325.478 1.586 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000347157581 143288972 /nfs/dbraw/zinc/28/89/72/143288972.db2.gz STWVGVFBAMASGY-ZENOOKHLSA-N 2 2 325.478 1.586 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347201630 143294243 /nfs/dbraw/zinc/29/42/43/143294243.db2.gz LLNUGAAJXDPLSU-QGZVFWFLSA-N 2 2 343.471 1.733 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347201630 143294244 /nfs/dbraw/zinc/29/42/44/143294244.db2.gz LLNUGAAJXDPLSU-QGZVFWFLSA-N 2 2 343.471 1.733 20 0 EDADLP CCS(=O)(=O)N1CC[N@H+](CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000347327798 143309282 /nfs/dbraw/zinc/30/92/82/143309282.db2.gz XZPKUOTYYHJEDP-CQSZACIVSA-N 2 2 328.482 1.328 20 0 EDADLP CCS(=O)(=O)N1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000347327798 143309283 /nfs/dbraw/zinc/30/92/83/143309283.db2.gz XZPKUOTYYHJEDP-CQSZACIVSA-N 2 2 328.482 1.328 20 0 EDADLP CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347958977 143383775 /nfs/dbraw/zinc/38/37/75/143383775.db2.gz WHXZBZFOCPTABG-QGZVFWFLSA-N 2 2 345.491 1.185 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369684635 155135480 /nfs/dbraw/zinc/13/54/80/155135480.db2.gz WJTPPNMNMXVBPD-ZDUSSCGKSA-N 2 2 331.420 1.710 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000369684635 155135481 /nfs/dbraw/zinc/13/54/81/155135481.db2.gz WJTPPNMNMXVBPD-ZDUSSCGKSA-N 2 2 331.420 1.710 20 0 EDADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000347905613 285843966 /nfs/dbraw/zinc/84/39/66/285843966.db2.gz RKEPEQCHULTLSO-HZPDHXFCSA-N 2 2 347.463 1.003 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H](O)c2cccnc2)([NH+]2CCCCC2)CC1 ZINC000369775224 155170334 /nfs/dbraw/zinc/17/03/34/155170334.db2.gz PAGMPTKAEJLBND-QGZVFWFLSA-N 2 2 346.475 1.182 20 0 EDADLP CC[C@H](C)NC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352713070 149125866 /nfs/dbraw/zinc/12/58/66/149125866.db2.gz GSACSBWHEKFQLM-SFHVURJKSA-N 2 2 346.519 1.651 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352713070 149125868 /nfs/dbraw/zinc/12/58/68/149125868.db2.gz GSACSBWHEKFQLM-SFHVURJKSA-N 2 2 346.519 1.651 20 0 EDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000352778499 149162368 /nfs/dbraw/zinc/16/23/68/149162368.db2.gz HMFQKNWJPUVPEK-IRXDYDNUSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000352778499 149162369 /nfs/dbraw/zinc/16/23/69/149162369.db2.gz HMFQKNWJPUVPEK-IRXDYDNUSA-N 2 2 344.503 1.599 20 0 EDADLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000369905511 155226646 /nfs/dbraw/zinc/22/66/46/155226646.db2.gz BGIDHFSLWRFBQG-SFHVURJKSA-N 2 2 336.501 1.860 20 0 EDADLP C[C@@H]1CSC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352796210 149168712 /nfs/dbraw/zinc/16/87/12/149168712.db2.gz GGQLXGHFUZAVFL-UKRRQHHQSA-N 2 2 339.530 1.733 20 0 EDADLP COc1ccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(F)c1 ZINC000352982542 149240062 /nfs/dbraw/zinc/24/00/62/149240062.db2.gz CPXKQNYRJXDHSP-UHFFFAOYSA-N 2 2 337.439 1.519 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)CCOCC1 ZINC000353245849 149337997 /nfs/dbraw/zinc/33/79/97/149337997.db2.gz PIVXXTZRRISUPQ-UHFFFAOYSA-N 2 2 337.851 1.492 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000353287293 149352710 /nfs/dbraw/zinc/35/27/10/149352710.db2.gz QHFRJVQYAXUYQE-UHFFFAOYSA-N 2 2 344.463 1.252 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000353423033 149399686 /nfs/dbraw/zinc/39/96/86/149399686.db2.gz CIFZFJGTIIVOLL-HNNXBMFYSA-N 2 2 342.403 1.235 20 0 EDADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000416971237 304357928 /nfs/dbraw/zinc/35/79/28/304357928.db2.gz CMKIXPSSXICTGQ-INIZCTEOSA-N 2 2 331.464 1.823 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000369943816 155246797 /nfs/dbraw/zinc/24/67/97/155246797.db2.gz TUBRVLSKIKQDHC-UHFFFAOYSA-N 2 2 335.492 1.622 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000369944952 155246875 /nfs/dbraw/zinc/24/68/75/155246875.db2.gz UHEXFXXGHLXTBN-KRWDZBQOSA-N 2 2 336.524 1.537 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000369944952 155246878 /nfs/dbraw/zinc/24/68/78/155246878.db2.gz UHEXFXXGHLXTBN-KRWDZBQOSA-N 2 2 336.524 1.537 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000354870318 150004050 /nfs/dbraw/zinc/00/40/50/150004050.db2.gz UAQCINJYUJYRIG-SJORKVTESA-N 2 2 341.496 1.103 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354985802 150065978 /nfs/dbraw/zinc/06/59/78/150065978.db2.gz SYZRLQPKWODJEO-GOEBONIOSA-N 2 2 345.491 1.457 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354985802 150065981 /nfs/dbraw/zinc/06/59/81/150065981.db2.gz SYZRLQPKWODJEO-GOEBONIOSA-N 2 2 345.491 1.457 20 0 EDADLP CCN(CCC[NH+]1CCN(c2[nH+]ccn2C)CC1)CC(F)(F)F ZINC000355066115 150100671 /nfs/dbraw/zinc/10/06/71/150100671.db2.gz ZGXFPXJIAFTAFR-UHFFFAOYSA-N 2 2 333.402 1.816 20 0 EDADLP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)C1 ZINC000369977137 155262350 /nfs/dbraw/zinc/26/23/50/155262350.db2.gz YUABMBTYVGUAPX-KZNAEPCWSA-N 2 2 337.508 1.726 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000355144960 150137484 /nfs/dbraw/zinc/13/74/84/150137484.db2.gz USPOPAJDSCKONB-MSOLQXFVSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000355144960 150137485 /nfs/dbraw/zinc/13/74/85/150137485.db2.gz USPOPAJDSCKONB-MSOLQXFVSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355144960 150137486 /nfs/dbraw/zinc/13/74/86/150137486.db2.gz USPOPAJDSCKONB-MSOLQXFVSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355144960 150137489 /nfs/dbraw/zinc/13/74/89/150137489.db2.gz USPOPAJDSCKONB-MSOLQXFVSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417040869 304365047 /nfs/dbraw/zinc/36/50/47/304365047.db2.gz PCWIFSBUBZTNCP-SJLPKXTDSA-N 2 2 346.475 1.311 20 0 EDADLP CSc1cccc(NC(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357644125 151097480 /nfs/dbraw/zinc/09/74/80/151097480.db2.gz BWODZPTZIPDMSM-UHFFFAOYSA-N 2 2 337.489 1.736 20 0 EDADLP CSc1cccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357644125 151097483 /nfs/dbraw/zinc/09/74/83/151097483.db2.gz BWODZPTZIPDMSM-UHFFFAOYSA-N 2 2 337.489 1.736 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357644316 151097615 /nfs/dbraw/zinc/09/76/15/151097615.db2.gz HNIQWTFCTSCRDD-INIZCTEOSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000357644316 151097618 /nfs/dbraw/zinc/09/76/18/151097618.db2.gz HNIQWTFCTSCRDD-INIZCTEOSA-N 2 2 333.476 1.388 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721630 151125195 /nfs/dbraw/zinc/12/51/95/151125195.db2.gz FFVYFDBTQRMPFY-OAHLLOKOSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721630 151125196 /nfs/dbraw/zinc/12/51/96/151125196.db2.gz FFVYFDBTQRMPFY-OAHLLOKOSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000357724118 151126246 /nfs/dbraw/zinc/12/62/46/151126246.db2.gz YGUBOWDHGUGHPN-APWZRJJASA-N 2 2 336.476 1.341 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000357724118 151126249 /nfs/dbraw/zinc/12/62/49/151126249.db2.gz YGUBOWDHGUGHPN-APWZRJJASA-N 2 2 336.476 1.341 20 0 EDADLP C[C@@H]1CSC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000357735847 151131511 /nfs/dbraw/zinc/13/15/11/151131511.db2.gz HRJLBPSZVYRPAD-UKRRQHHQSA-N 2 2 328.526 1.405 20 0 EDADLP C[C@@H]1CSC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357735847 151131513 /nfs/dbraw/zinc/13/15/13/151131513.db2.gz HRJLBPSZVYRPAD-UKRRQHHQSA-N 2 2 328.526 1.405 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000417069618 304369252 /nfs/dbraw/zinc/36/92/52/304369252.db2.gz JSERYWISRABPDR-YOEHRIQHSA-N 2 2 327.432 1.871 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417073183 304369915 /nfs/dbraw/zinc/36/99/15/304369915.db2.gz ICFHRCOPDFGZRI-MRXNPFEDSA-N 2 2 331.464 1.915 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000358134247 151284097 /nfs/dbraw/zinc/28/40/97/151284097.db2.gz ALULFMVUEVKRAF-BXUZGUMPSA-N 2 2 340.265 1.719 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000358134247 151284098 /nfs/dbraw/zinc/28/40/98/151284098.db2.gz ALULFMVUEVKRAF-BXUZGUMPSA-N 2 2 340.265 1.719 20 0 EDADLP COc1sc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1Br ZINC000358168477 151293190 /nfs/dbraw/zinc/29/31/90/151293190.db2.gz QLFKVJXKBYVETR-GFCCVEGCSA-N 2 2 335.267 1.675 20 0 EDADLP COc1sc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000358168477 151293193 /nfs/dbraw/zinc/29/31/93/151293193.db2.gz QLFKVJXKBYVETR-GFCCVEGCSA-N 2 2 335.267 1.675 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1C(C)(C)C1(C)C ZINC000358166171 151293590 /nfs/dbraw/zinc/29/35/90/151293590.db2.gz KRLPRWONZJDYQU-LSDHHAIUSA-N 2 2 337.508 1.580 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc(CC[NH3+])n1)C2 ZINC000358852392 151519662 /nfs/dbraw/zinc/51/96/62/151519662.db2.gz WDKPDNMJFNPLTF-LLVKDONJSA-N 2 2 347.488 1.883 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000360394736 152018940 /nfs/dbraw/zinc/01/89/40/152018940.db2.gz NGJHLBXIEBFJFC-XYPWUTKMSA-N 2 2 344.459 1.473 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000360394736 152018944 /nfs/dbraw/zinc/01/89/44/152018944.db2.gz NGJHLBXIEBFJFC-XYPWUTKMSA-N 2 2 344.459 1.473 20 0 EDADLP COC[C@H](C)[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000360396476 152020732 /nfs/dbraw/zinc/02/07/32/152020732.db2.gz RMXOASYDRHVZBO-SZNINPNASA-N 2 2 337.508 1.674 20 0 EDADLP COC[C@H](C)[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000360396476 152020734 /nfs/dbraw/zinc/02/07/34/152020734.db2.gz RMXOASYDRHVZBO-SZNINPNASA-N 2 2 337.508 1.674 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360534161 152083977 /nfs/dbraw/zinc/08/39/77/152083977.db2.gz DQFCBVRLHLLPQQ-QRWLVFNGSA-N 2 2 340.471 1.901 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360534161 152083979 /nfs/dbraw/zinc/08/39/79/152083979.db2.gz DQFCBVRLHLLPQQ-QRWLVFNGSA-N 2 2 340.471 1.901 20 0 EDADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360534160 152084055 /nfs/dbraw/zinc/08/40/55/152084055.db2.gz DQFCBVRLHLLPQQ-MGPUTAFESA-N 2 2 340.471 1.901 20 0 EDADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360534160 152084058 /nfs/dbraw/zinc/08/40/58/152084058.db2.gz DQFCBVRLHLLPQQ-MGPUTAFESA-N 2 2 340.471 1.901 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000360568959 152101118 /nfs/dbraw/zinc/10/11/18/152101118.db2.gz LPFDPBLUCCNIJS-GOSISDBHSA-N 2 2 333.432 1.005 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000360568959 152101120 /nfs/dbraw/zinc/10/11/20/152101120.db2.gz LPFDPBLUCCNIJS-GOSISDBHSA-N 2 2 333.432 1.005 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000360803435 152212218 /nfs/dbraw/zinc/21/22/18/152212218.db2.gz VEOIBFHDPGSWQU-JKSUJKDBSA-N 2 2 328.501 1.469 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000360803435 152212220 /nfs/dbraw/zinc/21/22/20/152212220.db2.gz VEOIBFHDPGSWQU-JKSUJKDBSA-N 2 2 328.501 1.469 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360939627 152259019 /nfs/dbraw/zinc/25/90/19/152259019.db2.gz BRZWORGGWVVUOJ-PKOBYXMFSA-N 4 2 331.508 1.524 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360939627 152259021 /nfs/dbraw/zinc/25/90/21/152259021.db2.gz BRZWORGGWVVUOJ-PKOBYXMFSA-N 4 2 331.508 1.524 20 0 EDADLP O[C@@H](CN1CCOCC1)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361054366 152290968 /nfs/dbraw/zinc/29/09/68/152290968.db2.gz BEOACLMASMGHFI-GOSISDBHSA-N 2 2 336.480 1.068 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354872321 286311827 /nfs/dbraw/zinc/31/18/27/286311827.db2.gz QCVYLYBNNSYIIB-HUUCEWRRSA-N 2 2 333.411 1.526 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000361127419 152313739 /nfs/dbraw/zinc/31/37/39/152313739.db2.gz XOSVYGDKHODFOR-WBVHZDCISA-N 2 2 345.491 1.888 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000361127419 152313743 /nfs/dbraw/zinc/31/37/43/152313743.db2.gz XOSVYGDKHODFOR-WBVHZDCISA-N 2 2 345.491 1.888 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000361138535 152318267 /nfs/dbraw/zinc/31/82/67/152318267.db2.gz ANDYHOJIOMWWQP-INIZCTEOSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000361138535 152318268 /nfs/dbraw/zinc/31/82/68/152318268.db2.gz ANDYHOJIOMWWQP-INIZCTEOSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3nccn3C)CC2)C1 ZINC000361138535 152318269 /nfs/dbraw/zinc/31/82/69/152318269.db2.gz ANDYHOJIOMWWQP-INIZCTEOSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3nccn3C)CC2)C1 ZINC000361138535 152318270 /nfs/dbraw/zinc/31/82/70/152318270.db2.gz ANDYHOJIOMWWQP-INIZCTEOSA-N 2 2 348.495 1.122 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3nccn3C)CC2)C1 ZINC000361138535 152318271 /nfs/dbraw/zinc/31/82/71/152318271.db2.gz ANDYHOJIOMWWQP-INIZCTEOSA-N 2 2 348.495 1.122 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3nccn3C)CC2)C1 ZINC000361138535 152318272 /nfs/dbraw/zinc/31/82/72/152318272.db2.gz ANDYHOJIOMWWQP-INIZCTEOSA-N 2 2 348.495 1.122 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000361379047 152377965 /nfs/dbraw/zinc/37/79/65/152377965.db2.gz TUKVTAFYOUJFQX-IBGZPJMESA-N 2 2 344.459 1.827 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000361379047 152377967 /nfs/dbraw/zinc/37/79/67/152377967.db2.gz TUKVTAFYOUJFQX-IBGZPJMESA-N 2 2 344.459 1.827 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@@H](C)OC)[C@H]1CC12CC[NH2+]CC2 ZINC000370162835 155356384 /nfs/dbraw/zinc/35/63/84/155356384.db2.gz PQKJTDHGETYMHA-CABCVRRESA-N 2 2 334.464 1.799 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCCCC[NH3+])[NH+]2CCOCC2)cc1 ZINC000417168146 304380018 /nfs/dbraw/zinc/38/00/18/304380018.db2.gz AJXNCUPTJNFHKI-KRWDZBQOSA-N 2 2 334.464 1.406 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC000363589870 153007983 /nfs/dbraw/zinc/00/79/83/153007983.db2.gz WOCAITXTESASFA-INMHGKMJSA-N 2 2 345.491 1.766 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC000363589870 153007986 /nfs/dbraw/zinc/00/79/86/153007986.db2.gz WOCAITXTESASFA-INMHGKMJSA-N 2 2 345.491 1.766 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCO2)CC[C@@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000363589870 153007990 /nfs/dbraw/zinc/00/79/90/153007990.db2.gz WOCAITXTESASFA-INMHGKMJSA-N 2 2 345.491 1.766 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363892609 153088894 /nfs/dbraw/zinc/08/88/94/153088894.db2.gz CHKNKOBDCNSOHH-CQSZACIVSA-N 3 2 331.464 1.046 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363892609 153088899 /nfs/dbraw/zinc/08/88/99/153088899.db2.gz CHKNKOBDCNSOHH-CQSZACIVSA-N 3 2 331.464 1.046 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363892609 153088903 /nfs/dbraw/zinc/08/89/03/153088903.db2.gz CHKNKOBDCNSOHH-CQSZACIVSA-N 2 2 331.464 1.046 20 0 EDADLP Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363901441 153090724 /nfs/dbraw/zinc/09/07/24/153090724.db2.gz JPRUEUJASBAYBC-INIZCTEOSA-N 2 2 344.459 1.218 20 0 EDADLP Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363901441 153090726 /nfs/dbraw/zinc/09/07/26/153090726.db2.gz JPRUEUJASBAYBC-INIZCTEOSA-N 2 2 344.459 1.218 20 0 EDADLP c1c(CCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)[nH+]c2n1CCCC2 ZINC000363922233 153097508 /nfs/dbraw/zinc/09/75/08/153097508.db2.gz HBOBZHNYDQXUQU-HNNXBMFYSA-N 2 2 342.447 1.099 20 0 EDADLP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000363940878 153102984 /nfs/dbraw/zinc/10/29/84/153102984.db2.gz QGEYRMNDJHXMBY-VQIMIIECSA-N 2 2 343.471 1.366 20 0 EDADLP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000363940878 153102987 /nfs/dbraw/zinc/10/29/87/153102987.db2.gz QGEYRMNDJHXMBY-VQIMIIECSA-N 2 2 343.471 1.366 20 0 EDADLP CCc1cc(=O)[nH]c(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)n1 ZINC000364345961 153211317 /nfs/dbraw/zinc/21/13/17/153211317.db2.gz GAFZKPBNVYKTNQ-VNQPRFMTSA-N 2 2 334.464 1.724 20 0 EDADLP CCc1cc(=O)[nH]c(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)n1 ZINC000364345961 153211318 /nfs/dbraw/zinc/21/13/18/153211318.db2.gz GAFZKPBNVYKTNQ-VNQPRFMTSA-N 2 2 334.464 1.724 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H]4CCOC(=O)[C@H]43)c2cc1C ZINC000364343946 153211624 /nfs/dbraw/zinc/21/16/24/153211624.db2.gz PWFIIBZBJHLECL-DAYGRLMNSA-N 2 2 343.427 1.651 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H]4CCOC(=O)[C@H]43)c2cc1C ZINC000364343946 153211626 /nfs/dbraw/zinc/21/16/26/153211626.db2.gz PWFIIBZBJHLECL-DAYGRLMNSA-N 2 2 343.427 1.651 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417196709 304383320 /nfs/dbraw/zinc/38/33/20/304383320.db2.gz ADBWFWBZMUAUBJ-VIFPVBQESA-N 2 2 340.225 1.491 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@]34CC[NH2+]C4)c[nH+]2)C[C@H](C)O1 ZINC000364557264 153269970 /nfs/dbraw/zinc/26/99/70/153269970.db2.gz DFUBKKWNAQKMHX-MVWRLGRASA-N 2 2 344.459 1.311 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364558936 153270488 /nfs/dbraw/zinc/27/04/88/153270488.db2.gz OTLIPLHDIPDIIA-MSOLQXFVSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364558936 153270492 /nfs/dbraw/zinc/27/04/92/153270492.db2.gz OTLIPLHDIPDIIA-MSOLQXFVSA-N 2 2 336.524 1.345 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)c[nH+]2)CC1 ZINC000364562766 153271498 /nfs/dbraw/zinc/27/14/98/153271498.db2.gz RLHVAJGDFWJRDA-APWZRJJASA-N 2 2 328.460 1.934 20 0 EDADLP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000364577068 153277322 /nfs/dbraw/zinc/27/73/22/153277322.db2.gz CGJQUJNMGJORPA-IEBWSBKVSA-N 2 2 329.444 1.209 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000364710740 153310787 /nfs/dbraw/zinc/31/07/87/153310787.db2.gz KEOGAELTDOHNLS-HOTGVXAUSA-N 2 2 333.480 1.865 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000364710740 153310790 /nfs/dbraw/zinc/31/07/90/153310790.db2.gz KEOGAELTDOHNLS-HOTGVXAUSA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000574297151 306647790 /nfs/dbraw/zinc/64/77/90/306647790.db2.gz KBQGMCPAAUPRHF-RYRKJORJSA-N 2 2 346.475 1.452 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1C ZINC000367356881 154086754 /nfs/dbraw/zinc/08/67/54/154086754.db2.gz QWLYCDXDPZDFMH-HNNXBMFYSA-N 2 2 335.448 1.356 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1C ZINC000367356881 154086758 /nfs/dbraw/zinc/08/67/58/154086758.db2.gz QWLYCDXDPZDFMH-HNNXBMFYSA-N 2 2 335.448 1.356 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)NCC[N@H+](C)CC)C1CCOCC1 ZINC000367482449 154142725 /nfs/dbraw/zinc/14/27/25/154142725.db2.gz FFTBOGAFMYHKOK-HNNXBMFYSA-N 2 2 337.468 1.622 20 0 EDADLP CCn1cc[nH+]c1[C@@H](NC(=O)NCC[N@@H+](C)CC)C1CCOCC1 ZINC000367482449 154142728 /nfs/dbraw/zinc/14/27/28/154142728.db2.gz FFTBOGAFMYHKOK-HNNXBMFYSA-N 2 2 337.468 1.622 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1-n1ccnn1 ZINC000367586811 154186842 /nfs/dbraw/zinc/18/68/42/154186842.db2.gz HXBPSCDCHPGPRW-ARFHVFGLSA-N 2 2 327.432 1.781 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1-n1ccnn1 ZINC000367586811 154186845 /nfs/dbraw/zinc/18/68/45/154186845.db2.gz HXBPSCDCHPGPRW-ARFHVFGLSA-N 2 2 327.432 1.781 20 0 EDADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000367614288 154199994 /nfs/dbraw/zinc/19/99/94/154199994.db2.gz GIJKGLMORMASRE-IRXDYDNUSA-N 2 2 346.475 1.364 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367654670 154215925 /nfs/dbraw/zinc/21/59/25/154215925.db2.gz AYZKMXXLLNLVRD-JZXOWHBKSA-N 2 2 338.540 1.780 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367654670 154215928 /nfs/dbraw/zinc/21/59/28/154215928.db2.gz AYZKMXXLLNLVRD-JZXOWHBKSA-N 2 2 338.540 1.780 20 0 EDADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cnn(C)c1 ZINC000367700605 154235565 /nfs/dbraw/zinc/23/55/65/154235565.db2.gz WJUCQWCCNQHRKX-HMQMGEFJSA-N 2 2 333.480 1.544 20 0 EDADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cnn(C)c1 ZINC000367700605 154235568 /nfs/dbraw/zinc/23/55/68/154235568.db2.gz WJUCQWCCNQHRKX-HMQMGEFJSA-N 2 2 333.480 1.544 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000367711956 154238795 /nfs/dbraw/zinc/23/87/95/154238795.db2.gz GXZUEQDJEXTPRK-SJLPKXTDSA-N 2 2 333.476 1.813 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000367711956 154238797 /nfs/dbraw/zinc/23/87/97/154238797.db2.gz GXZUEQDJEXTPRK-SJLPKXTDSA-N 2 2 333.476 1.813 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368040924 154380519 /nfs/dbraw/zinc/38/05/19/154380519.db2.gz JKVOOOMJFURIGI-MRXNPFEDSA-N 2 2 335.452 1.086 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368040924 154380521 /nfs/dbraw/zinc/38/05/21/154380521.db2.gz JKVOOOMJFURIGI-MRXNPFEDSA-N 2 2 335.452 1.086 20 0 EDADLP COC(=O)C[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368046265 154383243 /nfs/dbraw/zinc/38/32/43/154383243.db2.gz XWNLGBIVWICROE-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP COC(=O)C[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368046265 154383247 /nfs/dbraw/zinc/38/32/47/154383247.db2.gz XWNLGBIVWICROE-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000353459657 304395402 /nfs/dbraw/zinc/39/54/02/304395402.db2.gz MHWMWIHNTXQPKR-FGTMMUONSA-N 2 2 335.492 1.335 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369519507 155068714 /nfs/dbraw/zinc/06/87/14/155068714.db2.gz BNPFYARIIUMCKM-INIZCTEOSA-N 2 2 342.447 1.749 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369519507 155068718 /nfs/dbraw/zinc/06/87/18/155068718.db2.gz BNPFYARIIUMCKM-INIZCTEOSA-N 2 2 342.447 1.749 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NC1CC[NH+](CC3CC3)CC1)C2 ZINC000369531554 155074406 /nfs/dbraw/zinc/07/44/06/155074406.db2.gz NGLFWNVCYIRPAA-UHFFFAOYSA-N 2 2 331.464 1.900 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)nc12 ZINC000369603679 155106399 /nfs/dbraw/zinc/10/63/99/155106399.db2.gz YYZYHXGVXJTULD-KBAYOESNSA-N 2 2 338.455 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)nc12 ZINC000369603679 155106405 /nfs/dbraw/zinc/10/64/05/155106405.db2.gz YYZYHXGVXJTULD-KBAYOESNSA-N 2 2 338.455 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)nc12 ZINC000369603679 155106409 /nfs/dbraw/zinc/10/64/09/155106409.db2.gz YYZYHXGVXJTULD-KBAYOESNSA-N 2 2 338.455 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)nc12 ZINC000369603679 155106411 /nfs/dbraw/zinc/10/64/11/155106411.db2.gz YYZYHXGVXJTULD-KBAYOESNSA-N 2 2 338.455 1.919 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000371675446 156057981 /nfs/dbraw/zinc/05/79/81/156057981.db2.gz HLXQZAJGTBQYBO-JKSUJKDBSA-N 3 2 339.528 1.184 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000371675446 156057985 /nfs/dbraw/zinc/05/79/85/156057985.db2.gz HLXQZAJGTBQYBO-JKSUJKDBSA-N 3 2 339.528 1.184 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371675446 156057987 /nfs/dbraw/zinc/05/79/87/156057987.db2.gz HLXQZAJGTBQYBO-JKSUJKDBSA-N 3 2 339.528 1.184 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371675446 156057989 /nfs/dbraw/zinc/05/79/89/156057989.db2.gz HLXQZAJGTBQYBO-JKSUJKDBSA-N 3 2 339.528 1.184 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371893211 156157198 /nfs/dbraw/zinc/15/71/98/156157198.db2.gz FCCXLBOAEARZID-CQSZACIVSA-N 2 2 325.416 1.941 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000372249814 156287745 /nfs/dbraw/zinc/28/77/45/156287745.db2.gz BALYKCXCBVACRZ-HNNXBMFYSA-N 2 2 337.468 1.336 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000372249814 156287747 /nfs/dbraw/zinc/28/77/47/156287747.db2.gz BALYKCXCBVACRZ-HNNXBMFYSA-N 2 2 337.468 1.336 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209851 157196477 /nfs/dbraw/zinc/19/64/77/157196477.db2.gz RMILYZWDOKZSPO-UHFFFAOYSA-N 2 2 328.416 1.914 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374313895 157239196 /nfs/dbraw/zinc/23/91/96/157239196.db2.gz BKBBRNUMWSTYRW-YJBOKZPZSA-N 2 2 348.535 1.249 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374313895 157239200 /nfs/dbraw/zinc/23/92/00/157239200.db2.gz BKBBRNUMWSTYRW-YJBOKZPZSA-N 2 2 348.535 1.249 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000374320066 157242541 /nfs/dbraw/zinc/24/25/41/157242541.db2.gz FHVIGTFOJQHTBS-INIZCTEOSA-N 3 2 345.491 1.173 20 0 EDADLP CCCC[C@H](COC)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000374742913 157384528 /nfs/dbraw/zinc/38/45/28/157384528.db2.gz LEIACNJRUBZWDB-SJORKVTESA-N 2 2 341.496 1.104 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1 ZINC000374741005 157385119 /nfs/dbraw/zinc/38/51/19/157385119.db2.gz XQXMJVJVRKFGJI-UHFFFAOYSA-N 2 2 345.443 1.212 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1 ZINC000374741005 157385120 /nfs/dbraw/zinc/38/51/20/157385120.db2.gz XQXMJVJVRKFGJI-UHFFFAOYSA-N 2 2 345.443 1.212 20 0 EDADLP CC(C)S(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000376057834 157722559 /nfs/dbraw/zinc/72/25/59/157722559.db2.gz RIOIASRXTKJMOT-ZACQAIPSSA-N 2 2 346.537 1.679 20 0 EDADLP CC(C)S(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000376057834 157722560 /nfs/dbraw/zinc/72/25/60/157722560.db2.gz RIOIASRXTKJMOT-ZACQAIPSSA-N 2 2 346.537 1.679 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCn2c[nH+]cc2C1 ZINC000378093958 158076907 /nfs/dbraw/zinc/07/69/07/158076907.db2.gz IGILMNXYQBFPBM-DLBZAZTESA-N 2 2 347.463 1.176 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378340191 158145774 /nfs/dbraw/zinc/14/57/74/158145774.db2.gz PBEDDVYGTVIYGG-CVEARBPZSA-N 2 2 343.475 1.834 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378340191 158145777 /nfs/dbraw/zinc/14/57/77/158145777.db2.gz PBEDDVYGTVIYGG-CVEARBPZSA-N 2 2 343.475 1.834 20 0 EDADLP C[C@H]1CN(C(=O)C2CC[NH+](CCCn3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000378445264 158175657 /nfs/dbraw/zinc/17/56/57/158175657.db2.gz REDHFIWNFUJVBJ-HOTGVXAUSA-N 2 2 334.464 1.621 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)C[C@H]21 ZINC000378448947 158176858 /nfs/dbraw/zinc/17/68/58/158176858.db2.gz MCRNVQQGHPTEQU-VXGBXAGGSA-N 2 2 345.369 1.681 20 0 EDADLP Cn1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](CCc4ccccc4)C3)C2)n1 ZINC000378470125 158183921 /nfs/dbraw/zinc/18/39/21/158183921.db2.gz DVRXSEWKKPANJU-OALUTQOASA-N 2 2 339.487 1.905 20 0 EDADLP Cn1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](CCc4ccccc4)C3)C2)n1 ZINC000378470125 158183925 /nfs/dbraw/zinc/18/39/25/158183925.db2.gz DVRXSEWKKPANJU-OALUTQOASA-N 2 2 339.487 1.905 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000408205982 158297064 /nfs/dbraw/zinc/29/70/64/158297064.db2.gz MHMVNQJVTMNGOO-LSDHHAIUSA-N 2 2 347.463 1.783 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000408205982 158297066 /nfs/dbraw/zinc/29/70/66/158297066.db2.gz MHMVNQJVTMNGOO-LSDHHAIUSA-N 2 2 347.463 1.783 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CCO1 ZINC000408407683 158354044 /nfs/dbraw/zinc/35/40/44/158354044.db2.gz SBYDODLXHNYJDI-VDERGJSUSA-N 2 2 341.477 1.586 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H](C)O1 ZINC000352143094 162010504 /nfs/dbraw/zinc/01/05/04/162010504.db2.gz ZFKGWXKRWZCQDE-QLFBSQMISA-N 2 2 334.464 1.765 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H](C)O1 ZINC000352143094 162010507 /nfs/dbraw/zinc/01/05/07/162010507.db2.gz ZFKGWXKRWZCQDE-QLFBSQMISA-N 2 2 334.464 1.765 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000352488504 162208447 /nfs/dbraw/zinc/20/84/47/162208447.db2.gz QXKAVRHTOBYPJD-CYBMUJFWSA-N 2 2 348.403 1.267 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000352488504 162208449 /nfs/dbraw/zinc/20/84/49/162208449.db2.gz QXKAVRHTOBYPJD-CYBMUJFWSA-N 2 2 348.403 1.267 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352507877 162219245 /nfs/dbraw/zinc/21/92/45/162219245.db2.gz DOTLHXJCACIRQW-IEBWSBKVSA-N 2 2 344.503 1.022 20 0 EDADLP COc1cc2c(c(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)c1)O[C@H](C)C2 ZINC000352540789 162239994 /nfs/dbraw/zinc/23/99/94/162239994.db2.gz PNEHMVBWCQJIIO-PBHICJAKSA-N 2 2 331.460 1.498 20 0 EDADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000352833163 162259252 /nfs/dbraw/zinc/25/92/52/162259252.db2.gz XPDLRRKDQPUQFU-RRFJBIMHSA-N 2 2 338.452 1.339 20 0 EDADLP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000352833163 162259255 /nfs/dbraw/zinc/25/92/55/162259255.db2.gz XPDLRRKDQPUQFU-RRFJBIMHSA-N 2 2 338.452 1.339 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000360830781 162298746 /nfs/dbraw/zinc/29/87/46/162298746.db2.gz GTNVAOSYIOCVQL-RBSFLKMASA-N 2 2 344.450 1.001 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000365666364 162363051 /nfs/dbraw/zinc/36/30/51/162363051.db2.gz QIOFPMMSSLRSKM-CQSZACIVSA-N 2 2 345.447 1.464 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000365666364 162363053 /nfs/dbraw/zinc/36/30/53/162363053.db2.gz QIOFPMMSSLRSKM-CQSZACIVSA-N 2 2 345.447 1.464 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000186832326 287092792 /nfs/dbraw/zinc/09/27/92/287092792.db2.gz HJDHXBIWCYEETG-AEFFLSMTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000186832326 287092793 /nfs/dbraw/zinc/09/27/93/287092793.db2.gz HJDHXBIWCYEETG-AEFFLSMTSA-N 2 2 331.460 1.176 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159238524 225176519 /nfs/dbraw/zinc/17/65/19/225176519.db2.gz LJFRGKORMOLTSF-INIZCTEOSA-N 2 2 343.475 1.393 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159238524 225176526 /nfs/dbraw/zinc/17/65/26/225176526.db2.gz LJFRGKORMOLTSF-INIZCTEOSA-N 2 2 343.475 1.393 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000165132497 226111196 /nfs/dbraw/zinc/11/11/96/226111196.db2.gz KWWUKVQEZDDQBL-YQQAZPJKSA-N 2 2 347.459 1.613 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000171595487 227164268 /nfs/dbraw/zinc/16/42/68/227164268.db2.gz VYSSNPJWCCIVKK-UHFFFAOYSA-N 2 2 347.463 1.564 20 0 EDADLP Cn1cc(N2CC[C@H]([N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C2=O)cn1 ZINC000261766398 273017345 /nfs/dbraw/zinc/01/73/45/273017345.db2.gz OMRKHEACUVYNOM-NJAFHUGGSA-N 2 2 339.443 1.200 20 0 EDADLP Cn1cc(N2CC[C@H]([N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)C2=O)cn1 ZINC000261766398 273017346 /nfs/dbraw/zinc/01/73/46/273017346.db2.gz OMRKHEACUVYNOM-NJAFHUGGSA-N 2 2 339.443 1.200 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274581144 268163633 /nfs/dbraw/zinc/16/36/33/268163633.db2.gz HSMUSAWKHVUDED-ROUUACIJSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274581144 268163634 /nfs/dbraw/zinc/16/36/34/268163634.db2.gz HSMUSAWKHVUDED-ROUUACIJSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000279170580 268792681 /nfs/dbraw/zinc/79/26/81/268792681.db2.gz JAHOVNIDGWVZSE-UHFFFAOYSA-N 2 2 342.443 1.615 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CCN1C ZINC000275705564 273120697 /nfs/dbraw/zinc/12/06/97/273120697.db2.gz RVSUORDMDQKYHE-CQSZACIVSA-N 2 2 347.488 1.672 20 0 EDADLP Cc1ccc(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000275804788 273129178 /nfs/dbraw/zinc/12/91/78/273129178.db2.gz UXJJEVGVJRZUEZ-MRXNPFEDSA-N 2 2 339.443 1.908 20 0 EDADLP CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000277004951 273175973 /nfs/dbraw/zinc/17/59/73/273175973.db2.gz OZMHCOVOPWBRAI-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278907128 273270080 /nfs/dbraw/zinc/27/00/80/273270080.db2.gz PZUCEBAPOPBHQD-LBPRGKRZSA-N 2 2 333.436 1.243 20 0 EDADLP COc1c(O)cccc1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000280067366 273342105 /nfs/dbraw/zinc/34/21/05/273342105.db2.gz YUSGPSSDKQJFHN-GJZGRUSLSA-N 2 2 348.422 1.837 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000280797665 273399710 /nfs/dbraw/zinc/39/97/10/273399710.db2.gz RUJNQNHSJIRNHQ-KURKYZTESA-N 2 2 331.460 1.438 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000280797665 273399711 /nfs/dbraw/zinc/39/97/11/273399711.db2.gz RUJNQNHSJIRNHQ-KURKYZTESA-N 2 2 331.460 1.438 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000284273783 274142348 /nfs/dbraw/zinc/14/23/48/274142348.db2.gz MXRAMBDIAVMDBT-UHOSZYNNSA-N 2 2 344.503 1.574 20 0 EDADLP CC(C)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)N1CC[NH+](C)CC1 ZINC000284434219 274200754 /nfs/dbraw/zinc/20/07/54/274200754.db2.gz UEEUDYFMTLJKDE-KRWDZBQOSA-N 2 2 329.448 1.336 20 0 EDADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC000284664700 274285364 /nfs/dbraw/zinc/28/53/64/274285364.db2.gz QLRHEGNQSZKDRW-NMGOSJPMSA-N 2 2 348.447 1.307 20 0 EDADLP CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000285388575 274525867 /nfs/dbraw/zinc/52/58/67/274525867.db2.gz DINCWYXIWCAKLD-ZFWWWQNUSA-N 2 2 336.461 1.532 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000371140360 287870956 /nfs/dbraw/zinc/87/09/56/287870956.db2.gz WYAVBRDKHMSIET-YLJYHZDGSA-N 2 2 345.487 1.305 20 0 EDADLP CC1CC[NH+](CCN2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)CC1 ZINC000368396294 276197016 /nfs/dbraw/zinc/19/70/16/276197016.db2.gz BEUWBVRNPZUYOP-OALUTQOASA-N 2 2 338.540 1.055 20 0 EDADLP CC1CC[NH+](CCN2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)CC1 ZINC000368396294 276197019 /nfs/dbraw/zinc/19/70/19/276197019.db2.gz BEUWBVRNPZUYOP-OALUTQOASA-N 2 2 338.540 1.055 20 0 EDADLP CC[NH+](CC)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000068115333 276322820 /nfs/dbraw/zinc/32/28/20/276322820.db2.gz YJYBVZNMVPYXES-SFHVURJKSA-N 2 2 333.476 1.826 20 0 EDADLP C[C@@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)C[NH+]1CCOCC1 ZINC000286007976 287913444 /nfs/dbraw/zinc/91/34/44/287913444.db2.gz JBTDVYNHIRGYBX-HOTGVXAUSA-N 2 2 329.448 1.886 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccccc3)C[C@H]21 ZINC000342447555 277122417 /nfs/dbraw/zinc/12/24/17/277122417.db2.gz SKLPOOVRQDDCFV-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccccc3)C[C@H]21 ZINC000342447555 277122418 /nfs/dbraw/zinc/12/24/18/277122418.db2.gz SKLPOOVRQDDCFV-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[C@H]21 ZINC000342447555 277122419 /nfs/dbraw/zinc/12/24/19/277122419.db2.gz SKLPOOVRQDDCFV-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)C[C@H]21 ZINC000342447555 277122420 /nfs/dbraw/zinc/12/24/20/277122420.db2.gz SKLPOOVRQDDCFV-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1n1cc[nH+]c1 ZINC000333924505 277741038 /nfs/dbraw/zinc/74/10/38/277741038.db2.gz SZSRQDRIEJKHOS-HHARLNAUSA-N 2 2 331.464 1.864 20 0 EDADLP CS[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH+]1CCCC1 ZINC000362030326 278154311 /nfs/dbraw/zinc/15/43/11/278154311.db2.gz WADXJGDGNYVAIE-YYIAUSFCSA-N 2 2 325.522 1.361 20 0 EDADLP CS[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH+]1CCCC1 ZINC000362030326 278154312 /nfs/dbraw/zinc/15/43/12/278154312.db2.gz WADXJGDGNYVAIE-YYIAUSFCSA-N 2 2 325.522 1.361 20 0 EDADLP Cc1cccc([C@H](C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)N2CCOCC2)c1 ZINC000422869025 278930944 /nfs/dbraw/zinc/93/09/44/278930944.db2.gz WQXMHIXIEQSTBI-HOJAQTOUSA-N 2 2 347.503 1.725 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000286868664 288108790 /nfs/dbraw/zinc/10/87/90/288108790.db2.gz VPILGJWHEHANKK-INIZCTEOSA-N 2 2 336.399 1.471 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000286868664 288108791 /nfs/dbraw/zinc/10/87/91/288108791.db2.gz VPILGJWHEHANKK-INIZCTEOSA-N 2 2 336.399 1.471 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2=O)cn1 ZINC000247952628 279339647 /nfs/dbraw/zinc/33/96/47/279339647.db2.gz FEIUWYQFGLGXEZ-PVAVHDDUSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2=O)cn1 ZINC000247952628 279339649 /nfs/dbraw/zinc/33/96/49/279339649.db2.gz FEIUWYQFGLGXEZ-PVAVHDDUSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)cn1 ZINC000247952628 279339652 /nfs/dbraw/zinc/33/96/52/279339652.db2.gz FEIUWYQFGLGXEZ-PVAVHDDUSA-N 2 2 331.464 1.332 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2=O)cn1 ZINC000247952628 279339653 /nfs/dbraw/zinc/33/96/53/279339653.db2.gz FEIUWYQFGLGXEZ-PVAVHDDUSA-N 2 2 331.464 1.332 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CN1CCOCC1 ZINC000153327098 279353533 /nfs/dbraw/zinc/35/35/33/279353533.db2.gz BZIHRKBFJMIRGQ-GGPKGHCWSA-N 2 2 346.519 1.850 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CN1CCOCC1 ZINC000153327098 279353537 /nfs/dbraw/zinc/35/35/37/279353537.db2.gz BZIHRKBFJMIRGQ-GGPKGHCWSA-N 2 2 346.519 1.850 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358140915 279365968 /nfs/dbraw/zinc/36/59/68/279365968.db2.gz PHQYZBDFMSDVQJ-OAGGEKHMSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358140915 279365969 /nfs/dbraw/zinc/36/59/69/279365969.db2.gz PHQYZBDFMSDVQJ-OAGGEKHMSA-N 2 2 326.485 1.220 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000287012591 288137191 /nfs/dbraw/zinc/13/71/91/288137191.db2.gz QULRXKGMSBYTIW-UHFFFAOYSA-N 2 2 349.479 1.151 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000287019022 288138775 /nfs/dbraw/zinc/13/87/75/288138775.db2.gz GIUKRCYVWAXFJE-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)C1(C)C ZINC000369842078 279812612 /nfs/dbraw/zinc/81/26/12/279812612.db2.gz SPDUURVEKLWGST-IAGOWNOFSA-N 2 2 337.508 1.866 20 0 EDADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1COCC[NH2+]1 ZINC000164882518 279848500 /nfs/dbraw/zinc/84/85/00/279848500.db2.gz FLOYYSRJWGJXGF-HOTGVXAUSA-N 2 2 337.851 1.582 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000287234364 288187979 /nfs/dbraw/zinc/18/79/79/288187979.db2.gz WEEXHKPLUMEGOS-UONOGXRCSA-N 2 2 335.452 1.056 20 0 EDADLP CC[C@@H](C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1)[NH+](C)C ZINC000126402793 280078165 /nfs/dbraw/zinc/07/81/65/280078165.db2.gz FNGVOUWHQANNMS-ZWKOTPCHSA-N 2 2 333.476 1.825 20 0 EDADLP CC[C@H]1C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000495855107 281168673 /nfs/dbraw/zinc/16/86/73/281168673.db2.gz AFEOVBFNEQIILA-HOCLYGCPSA-N 2 2 325.478 1.688 20 0 EDADLP CC[C@H]1C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000495855107 281168674 /nfs/dbraw/zinc/16/86/74/281168674.db2.gz AFEOVBFNEQIILA-HOCLYGCPSA-N 2 2 325.478 1.688 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CCO1 ZINC000178744593 281238816 /nfs/dbraw/zinc/23/88/16/281238816.db2.gz IAGKLPHNSSTVSL-UHFFFAOYSA-N 2 2 345.487 1.535 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CCO1 ZINC000178744593 281238822 /nfs/dbraw/zinc/23/88/22/281238822.db2.gz IAGKLPHNSSTVSL-UHFFFAOYSA-N 2 2 345.487 1.535 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccn([C@H]3CCC[NH2+]C3)n1)C2 ZINC000369557540 281537241 /nfs/dbraw/zinc/53/72/41/281537241.db2.gz WHCUXCDWISWYPU-KBPBESRZSA-N 2 2 328.420 1.057 20 0 EDADLP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289380219 288686306 /nfs/dbraw/zinc/68/63/06/288686306.db2.gz LBPZKPJCYHDRFN-HZPDHXFCSA-N 2 2 338.448 1.646 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000290108288 288840779 /nfs/dbraw/zinc/84/07/79/288840779.db2.gz YFIAHPHOFAPTOA-HZPDHXFCSA-N 2 2 345.491 1.945 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000290108275 288840823 /nfs/dbraw/zinc/84/08/23/288840823.db2.gz YFIAHPHOFAPTOA-CVEARBPZSA-N 2 2 345.491 1.945 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292057335 289251374 /nfs/dbraw/zinc/25/13/74/289251374.db2.gz CGBVTFFPTBDBGF-KUHUBIRLSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292057335 289251377 /nfs/dbraw/zinc/25/13/77/289251377.db2.gz CGBVTFFPTBDBGF-KUHUBIRLSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292057335 289251379 /nfs/dbraw/zinc/25/13/79/289251379.db2.gz CGBVTFFPTBDBGF-KUHUBIRLSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292057335 289251381 /nfs/dbraw/zinc/25/13/81/289251381.db2.gz CGBVTFFPTBDBGF-KUHUBIRLSA-N 2 2 344.459 2.000 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360553652 289365803 /nfs/dbraw/zinc/36/58/03/289365803.db2.gz TVBJTCNMEBZGRD-OGWOLHLISA-N 2 2 329.444 1.700 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360553652 289365805 /nfs/dbraw/zinc/36/58/05/289365805.db2.gz TVBJTCNMEBZGRD-OGWOLHLISA-N 2 2 329.444 1.700 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1c1ccc(F)c(F)c1 ZINC000333559827 290208537 /nfs/dbraw/zinc/20/85/37/290208537.db2.gz LGADJEYYEHOHBP-QXTAPFHLSA-N 2 2 336.386 1.227 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1c1ccc(F)c(F)c1 ZINC000333559827 290208539 /nfs/dbraw/zinc/20/85/39/290208539.db2.gz LGADJEYYEHOHBP-QXTAPFHLSA-N 2 2 336.386 1.227 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](CC(F)(F)F)O1 ZINC000662238060 452967854 /nfs/dbraw/zinc/96/78/54/452967854.db2.gz QYNYFYVDFLTSGD-OLZOCXBDSA-N 2 2 337.386 1.192 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](CC(F)(F)F)O1 ZINC000662238060 452967865 /nfs/dbraw/zinc/96/78/65/452967865.db2.gz QYNYFYVDFLTSGD-OLZOCXBDSA-N 2 2 337.386 1.192 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725045 298117833 /nfs/dbraw/zinc/11/78/33/298117833.db2.gz MHYKEGBXGSPKLN-KGLIPLIRSA-N 2 2 326.485 1.805 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725045 298117837 /nfs/dbraw/zinc/11/78/37/298117837.db2.gz MHYKEGBXGSPKLN-KGLIPLIRSA-N 2 2 326.485 1.805 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725045 298117840 /nfs/dbraw/zinc/11/78/40/298117840.db2.gz MHYKEGBXGSPKLN-KGLIPLIRSA-N 2 2 326.485 1.805 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725045 298117843 /nfs/dbraw/zinc/11/78/43/298117843.db2.gz MHYKEGBXGSPKLN-KGLIPLIRSA-N 2 2 326.485 1.805 20 0 EDADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000376819856 300677866 /nfs/dbraw/zinc/67/78/66/300677866.db2.gz QEHXCMVKIQUODU-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000646188959 453201923 /nfs/dbraw/zinc/20/19/23/453201923.db2.gz ASHWJSUHUJKWKT-MJVIPROJSA-N 2 2 328.407 1.993 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000417828197 301795144 /nfs/dbraw/zinc/79/51/44/301795144.db2.gz OLHHSXPKYBHUAJ-MJBXVCDLSA-N 2 2 340.493 1.465 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000456197759 447318917 /nfs/dbraw/zinc/31/89/17/447318917.db2.gz DYAOLCFMFSJDIQ-KSZLIROESA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000456197759 447318924 /nfs/dbraw/zinc/31/89/24/447318924.db2.gz DYAOLCFMFSJDIQ-KSZLIROESA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000456197759 447318926 /nfs/dbraw/zinc/31/89/26/447318926.db2.gz DYAOLCFMFSJDIQ-KSZLIROESA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000456197759 447318931 /nfs/dbraw/zinc/31/89/31/447318931.db2.gz DYAOLCFMFSJDIQ-KSZLIROESA-N 2 2 335.492 1.763 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1ccnc(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000376689341 302987100 /nfs/dbraw/zinc/98/71/00/302987100.db2.gz MRXQCPDOGJYYBA-AWEZNQCLSA-N 2 2 343.406 1.739 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)CCN1C ZINC000423870236 302994857 /nfs/dbraw/zinc/99/48/57/302994857.db2.gz OSNRDXRHMNULFO-HNNXBMFYSA-N 2 2 333.480 1.535 20 0 EDADLP O[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000294042852 303055217 /nfs/dbraw/zinc/05/52/17/303055217.db2.gz IUWODTSIULHBQZ-HKUYNNGSSA-N 2 2 336.451 1.773 20 0 EDADLP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000294042852 303055219 /nfs/dbraw/zinc/05/52/19/303055219.db2.gz IUWODTSIULHBQZ-HKUYNNGSSA-N 2 2 336.451 1.773 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000294507641 303117594 /nfs/dbraw/zinc/11/75/94/303117594.db2.gz SHTZYKHIPRIAGR-UHFFFAOYSA-N 2 2 348.410 1.620 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000295838177 303273969 /nfs/dbraw/zinc/27/39/69/303273969.db2.gz VSBIMIHCOLYTQY-INIZCTEOSA-N 2 2 349.475 1.606 20 0 EDADLP Cc1cn2cc(NC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)ccc2[nH+]1 ZINC000296472603 303319247 /nfs/dbraw/zinc/31/92/47/303319247.db2.gz LTGVDOWMLBVZJK-CQSZACIVSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cn2cc(NC(=O)N[C@@H]3CCC[N@@H+](CCCO)C3)ccc2[nH+]1 ZINC000296472603 303319248 /nfs/dbraw/zinc/31/92/48/303319248.db2.gz LTGVDOWMLBVZJK-CQSZACIVSA-N 2 2 331.420 1.611 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211022 447330154 /nfs/dbraw/zinc/33/01/54/447330154.db2.gz FGSYZKKYZWOODH-KSZLIROESA-N 2 2 331.460 1.139 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211022 447330160 /nfs/dbraw/zinc/33/01/60/447330160.db2.gz FGSYZKKYZWOODH-KSZLIROESA-N 2 2 331.460 1.139 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000456217898 447334008 /nfs/dbraw/zinc/33/40/08/447334008.db2.gz QOJXYDIJYUAJTJ-KSZLIROESA-N 2 2 331.460 1.659 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000456217898 447334011 /nfs/dbraw/zinc/33/40/11/447334011.db2.gz QOJXYDIJYUAJTJ-KSZLIROESA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000456217898 447334015 /nfs/dbraw/zinc/33/40/15/447334015.db2.gz QOJXYDIJYUAJTJ-KSZLIROESA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000456217898 447334020 /nfs/dbraw/zinc/33/40/20/447334020.db2.gz QOJXYDIJYUAJTJ-KSZLIROESA-N 2 2 331.460 1.659 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)S1=O ZINC000420919920 304784021 /nfs/dbraw/zinc/78/40/21/304784021.db2.gz IYZWDBKHFABTMX-HZPDHXFCSA-N 2 2 336.501 1.860 20 0 EDADLP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423081022 304884572 /nfs/dbraw/zinc/88/45/72/304884572.db2.gz CFUAPSIOXSWZAJ-DZJNRPSUSA-N 2 2 334.464 1.337 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H](C)CC[NH2+]3)CC2)cc1F ZINC000423298476 304891559 /nfs/dbraw/zinc/89/15/59/304891559.db2.gz ADRKIFTZYYGUNM-PBHICJAKSA-N 2 2 349.450 1.867 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000423739297 304907168 /nfs/dbraw/zinc/90/71/68/304907168.db2.gz HDNZNCWEDFHCSR-WMLDXEAASA-N 2 2 335.423 1.409 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3([NH3+])CCCC3)cc2)CC1 ZINC000423848093 304912195 /nfs/dbraw/zinc/91/21/95/304912195.db2.gz QRNVOZMYPXKMDO-UHFFFAOYSA-N 2 2 344.459 1.561 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000423893490 304913950 /nfs/dbraw/zinc/91/39/50/304913950.db2.gz LAQCVPVGWXVJNF-GOSISDBHSA-N 2 2 326.444 1.994 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000427298178 304988130 /nfs/dbraw/zinc/98/81/30/304988130.db2.gz ACQYHBYUXSCROS-WMZOPIPTSA-N 2 2 331.460 1.484 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428038301 305004882 /nfs/dbraw/zinc/00/48/82/305004882.db2.gz XKTNGWMMSRRMPQ-FUHWJXTLSA-N 2 2 347.459 1.012 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000428038301 305004883 /nfs/dbraw/zinc/00/48/83/305004883.db2.gz XKTNGWMMSRRMPQ-FUHWJXTLSA-N 2 2 347.459 1.012 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000430612323 305058952 /nfs/dbraw/zinc/05/89/52/305058952.db2.gz RVHQHYQDYHEFPS-OAHLLOKOSA-N 2 2 332.448 1.883 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000430612323 305058953 /nfs/dbraw/zinc/05/89/53/305058953.db2.gz RVHQHYQDYHEFPS-OAHLLOKOSA-N 2 2 332.448 1.883 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430631994 305060304 /nfs/dbraw/zinc/06/03/04/305060304.db2.gz WDZPNIWITYWYIF-SFHVURJKSA-N 3 2 330.476 1.002 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430631994 305060305 /nfs/dbraw/zinc/06/03/05/305060305.db2.gz WDZPNIWITYWYIF-SFHVURJKSA-N 3 2 330.476 1.002 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)c(C)c1 ZINC000430646349 305061239 /nfs/dbraw/zinc/06/12/39/305061239.db2.gz OZUWDXASOJSGLS-MRXNPFEDSA-N 2 2 346.475 1.337 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)c1 ZINC000430646349 305061240 /nfs/dbraw/zinc/06/12/40/305061240.db2.gz OZUWDXASOJSGLS-MRXNPFEDSA-N 2 2 346.475 1.337 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCc2cccc(OCCOC)c2)C1 ZINC000430669858 305061976 /nfs/dbraw/zinc/06/19/76/305061976.db2.gz UPBIHWBWISXHEV-QGZVFWFLSA-N 2 2 349.475 1.259 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(OCCOC)c2)C1 ZINC000430669858 305061977 /nfs/dbraw/zinc/06/19/77/305061977.db2.gz UPBIHWBWISXHEV-QGZVFWFLSA-N 2 2 349.475 1.259 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CCCCCC2)no1 ZINC000430695647 305062551 /nfs/dbraw/zinc/06/25/51/305062551.db2.gz SZMLOXJHMZKLHH-ZIAGYGMSSA-N 2 2 349.479 1.924 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430924013 305068407 /nfs/dbraw/zinc/06/84/07/305068407.db2.gz HHLZJODNSFJBNK-RHSMWYFYSA-N 2 2 335.423 1.267 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430924013 305068408 /nfs/dbraw/zinc/06/84/08/305068408.db2.gz HHLZJODNSFJBNK-RHSMWYFYSA-N 2 2 335.423 1.267 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430938608 305069443 /nfs/dbraw/zinc/06/94/43/305069443.db2.gz INBHXGQXBJRWHW-MRXNPFEDSA-N 3 2 348.516 1.455 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430938608 305069444 /nfs/dbraw/zinc/06/94/44/305069444.db2.gz INBHXGQXBJRWHW-MRXNPFEDSA-N 3 2 348.516 1.455 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430972642 305071772 /nfs/dbraw/zinc/07/17/72/305071772.db2.gz QJGUSDIXROGFFY-CRAIPNDOSA-N 2 2 341.459 1.200 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC[C@H]1[NH3+] ZINC000430972642 305071773 /nfs/dbraw/zinc/07/17/73/305071773.db2.gz QJGUSDIXROGFFY-CRAIPNDOSA-N 2 2 341.459 1.200 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)C1CC[NH2+]CC1 ZINC000431010800 305072826 /nfs/dbraw/zinc/07/28/26/305072826.db2.gz RPYYUXGESGJKHN-HNNXBMFYSA-N 2 2 333.480 1.090 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000431035822 305073363 /nfs/dbraw/zinc/07/33/63/305073363.db2.gz UMESEWFIZFUVHE-GOSISDBHSA-N 2 2 348.491 1.085 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000431035822 305073364 /nfs/dbraw/zinc/07/33/64/305073364.db2.gz UMESEWFIZFUVHE-GOSISDBHSA-N 2 2 348.491 1.085 20 0 EDADLP C[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000431801456 305083105 /nfs/dbraw/zinc/08/31/05/305083105.db2.gz ZZBAANFDMNZYBO-WMZOPIPTSA-N 2 2 332.492 1.432 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC000433159637 305102128 /nfs/dbraw/zinc/10/21/28/305102128.db2.gz SHBICSDUDUEKJC-ZWKOTPCHSA-N 2 2 333.476 1.715 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3ncn([C@@H]4CCC[NH2+]C4)n3)[nH+]c2c1 ZINC000433383371 305106995 /nfs/dbraw/zinc/10/69/95/305106995.db2.gz HJTPYTUWEWALLA-CQSZACIVSA-N 2 2 339.403 1.089 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000433928905 305114740 /nfs/dbraw/zinc/11/47/40/305114740.db2.gz BKVSISDQSLMQQL-ZACQAIPSSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000433928905 305114741 /nfs/dbraw/zinc/11/47/41/305114741.db2.gz BKVSISDQSLMQQL-ZACQAIPSSA-N 2 2 340.512 1.469 20 0 EDADLP CCOCCCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567331 305142636 /nfs/dbraw/zinc/14/26/36/305142636.db2.gz ZIKIMRIQIBALQZ-OAHLLOKOSA-N 2 2 334.464 1.708 20 0 EDADLP COc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cn1 ZINC000436271297 305155146 /nfs/dbraw/zinc/15/51/46/305155146.db2.gz DGYBMYCPAWQBNS-UHFFFAOYSA-N 2 2 327.432 1.527 20 0 EDADLP CC1CCC(N(C)C(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000441282485 305220166 /nfs/dbraw/zinc/22/01/66/305220166.db2.gz ULGMAGUHZFLWNY-UHFFFAOYSA-N 2 2 333.480 1.579 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441448679 305222070 /nfs/dbraw/zinc/22/20/70/305222070.db2.gz NFEUHFXOMYTOGA-KRWDZBQOSA-N 3 2 348.535 1.537 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441448679 305222071 /nfs/dbraw/zinc/22/20/71/305222071.db2.gz NFEUHFXOMYTOGA-KRWDZBQOSA-N 3 2 348.535 1.537 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000446267037 305262031 /nfs/dbraw/zinc/26/20/31/305262031.db2.gz ZORNUXAJAZUYKD-ZQIUZPCESA-N 2 2 333.432 1.223 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000449883011 305321701 /nfs/dbraw/zinc/32/17/01/305321701.db2.gz KVPDYMZNJHGOCN-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000449883011 305321702 /nfs/dbraw/zinc/32/17/02/305321702.db2.gz KVPDYMZNJHGOCN-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H]1C ZINC000449883011 305321703 /nfs/dbraw/zinc/32/17/03/305321703.db2.gz KVPDYMZNJHGOCN-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H]1C ZINC000449883011 305321704 /nfs/dbraw/zinc/32/17/04/305321704.db2.gz KVPDYMZNJHGOCN-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 ZINC000451507345 305350112 /nfs/dbraw/zinc/35/01/12/305350112.db2.gz VGHGJPRQGITLCO-QZTJIDSGSA-N 2 2 345.487 1.734 20 0 EDADLP CCOC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527246 305351220 /nfs/dbraw/zinc/35/12/20/305351220.db2.gz DESCYPVZCRQLHP-KRWDZBQOSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527246 305351221 /nfs/dbraw/zinc/35/12/21/305351221.db2.gz DESCYPVZCRQLHP-KRWDZBQOSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527246 305351222 /nfs/dbraw/zinc/35/12/22/305351222.db2.gz DESCYPVZCRQLHP-KRWDZBQOSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527246 305351223 /nfs/dbraw/zinc/35/12/23/305351223.db2.gz DESCYPVZCRQLHP-KRWDZBQOSA-N 2 2 339.480 1.206 20 0 EDADLP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000451630892 305357461 /nfs/dbraw/zinc/35/74/61/305357461.db2.gz KEHSLVWPPYRVJV-ARFHVFGLSA-N 2 2 332.448 1.276 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)C2 ZINC000452360427 305392453 /nfs/dbraw/zinc/39/24/53/305392453.db2.gz IVLOUJHYJQHMGU-HUUCEWRRSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)C2 ZINC000452360427 305392454 /nfs/dbraw/zinc/39/24/54/305392454.db2.gz IVLOUJHYJQHMGU-HUUCEWRRSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)CC2 ZINC000452360427 305392455 /nfs/dbraw/zinc/39/24/55/305392455.db2.gz IVLOUJHYJQHMGU-HUUCEWRRSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)CC2 ZINC000452360427 305392456 /nfs/dbraw/zinc/39/24/56/305392456.db2.gz IVLOUJHYJQHMGU-HUUCEWRRSA-N 2 2 348.491 1.601 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)n1C ZINC000496654051 305672273 /nfs/dbraw/zinc/67/22/73/305672273.db2.gz GJLLVUBZUIYEKO-AWEZNQCLSA-N 2 2 331.420 1.696 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](CO)[C@@H]3CCOC3)c2cc1C ZINC000514789681 305705584 /nfs/dbraw/zinc/70/55/84/305705584.db2.gz DQULOCQPBOYTCL-BRWVUGGUSA-N 2 2 347.459 1.249 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CC1 ZINC000516857283 305742876 /nfs/dbraw/zinc/74/28/76/305742876.db2.gz VCIGZNMITYQEIC-ARFHVFGLSA-N 2 2 331.464 1.902 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000377794791 447359143 /nfs/dbraw/zinc/35/91/43/447359143.db2.gz MKCCJFSFOOXNSX-OAGGEKHMSA-N 2 2 335.452 1.072 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000377794791 447359149 /nfs/dbraw/zinc/35/91/49/447359149.db2.gz MKCCJFSFOOXNSX-OAGGEKHMSA-N 2 2 335.452 1.072 20 0 EDADLP CCN1C[C@@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1=O ZINC000521995931 305796989 /nfs/dbraw/zinc/79/69/89/305796989.db2.gz OEWZHLPCDPAHGZ-LSDHHAIUSA-N 2 2 330.432 1.224 20 0 EDADLP COc1ccc(-n2cc(C[N@H+](C)C3CC[NH+](CCO)CC3)cn2)cc1 ZINC000449026132 447361312 /nfs/dbraw/zinc/36/13/12/447361312.db2.gz IKNGMLYYNSCCIA-UHFFFAOYSA-N 2 2 344.459 1.769 20 0 EDADLP COc1ccc(-n2cc(C[N@@H+](C)C3CC[NH+](CCO)CC3)cn2)cc1 ZINC000449026132 447361316 /nfs/dbraw/zinc/36/13/16/447361316.db2.gz IKNGMLYYNSCCIA-UHFFFAOYSA-N 2 2 344.459 1.769 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2cnn(CCC)c2)CC1 ZINC000449127613 447363899 /nfs/dbraw/zinc/36/38/99/447363899.db2.gz WRXXCZDZXCVWBN-MRXNPFEDSA-N 2 2 335.496 1.716 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(CCC)c2)CC1 ZINC000449127613 447363903 /nfs/dbraw/zinc/36/39/03/447363903.db2.gz WRXXCZDZXCVWBN-MRXNPFEDSA-N 2 2 335.496 1.716 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2cnn(CCC)c2)CC1 ZINC000449127612 447364419 /nfs/dbraw/zinc/36/44/19/447364419.db2.gz WRXXCZDZXCVWBN-INIZCTEOSA-N 2 2 335.496 1.716 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2cnn(CCC)c2)CC1 ZINC000449127612 447364426 /nfs/dbraw/zinc/36/44/26/447364426.db2.gz WRXXCZDZXCVWBN-INIZCTEOSA-N 2 2 335.496 1.716 20 0 EDADLP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000530519015 305941837 /nfs/dbraw/zinc/94/18/37/305941837.db2.gz WRIJQLLSFOTCLO-GDBMZVCRSA-N 2 2 342.447 1.312 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000533701588 306002619 /nfs/dbraw/zinc/00/26/19/306002619.db2.gz DPVXKNHUXPXJNP-SFHVURJKSA-N 2 2 328.416 1.016 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000533701588 306002620 /nfs/dbraw/zinc/00/26/20/306002620.db2.gz DPVXKNHUXPXJNP-SFHVURJKSA-N 2 2 328.416 1.016 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000534579906 306008195 /nfs/dbraw/zinc/00/81/95/306008195.db2.gz FWZAOHCZVNGDKK-AWEZNQCLSA-N 2 2 342.399 1.255 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000534579906 306008196 /nfs/dbraw/zinc/00/81/96/306008196.db2.gz FWZAOHCZVNGDKK-AWEZNQCLSA-N 2 2 342.399 1.255 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000537112875 306026082 /nfs/dbraw/zinc/02/60/82/306026082.db2.gz ONLXWFSTXDEVJG-LSDHHAIUSA-N 2 2 335.452 1.205 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2cc[nH]c2n1 ZINC000540928559 306042038 /nfs/dbraw/zinc/04/20/38/306042038.db2.gz OPJSMCXMWSFDCX-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2cc[nH]c2n1 ZINC000540928559 306042039 /nfs/dbraw/zinc/04/20/39/306042039.db2.gz OPJSMCXMWSFDCX-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP Cn1c[nH+]cc1Cn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000542842310 306059385 /nfs/dbraw/zinc/05/93/85/306059385.db2.gz AZBKKLZTGIGWRB-UHFFFAOYSA-N 2 2 335.411 1.583 20 0 EDADLP Cn1c[nH+]cc1Cn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000542842310 306059386 /nfs/dbraw/zinc/05/93/86/306059386.db2.gz AZBKKLZTGIGWRB-UHFFFAOYSA-N 2 2 335.411 1.583 20 0 EDADLP CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000544606041 306077359 /nfs/dbraw/zinc/07/73/59/306077359.db2.gz GBJUXLXQTSBOOK-HIFRSBDPSA-N 2 2 329.510 1.263 20 0 EDADLP CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000544606041 306077360 /nfs/dbraw/zinc/07/73/60/306077360.db2.gz GBJUXLXQTSBOOK-HIFRSBDPSA-N 2 2 329.510 1.263 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000547630487 306105799 /nfs/dbraw/zinc/10/57/99/306105799.db2.gz IHEXEHSSJUGRIG-JKSUJKDBSA-N 2 2 333.480 1.865 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000547630487 306105800 /nfs/dbraw/zinc/10/58/00/306105800.db2.gz IHEXEHSSJUGRIG-JKSUJKDBSA-N 2 2 333.480 1.865 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000552029557 306174003 /nfs/dbraw/zinc/17/40/03/306174003.db2.gz WIJHWNWHGZDVDO-IJEWVQPXSA-N 2 2 338.448 1.264 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000552029557 306174004 /nfs/dbraw/zinc/17/40/04/306174004.db2.gz WIJHWNWHGZDVDO-IJEWVQPXSA-N 2 2 338.448 1.264 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](CCOC(C)C)CC1)CC2 ZINC000553497215 306185759 /nfs/dbraw/zinc/18/57/59/306185759.db2.gz AJEGGPMDRUNWNG-INIZCTEOSA-N 2 2 334.464 1.323 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000554217977 306189792 /nfs/dbraw/zinc/18/97/92/306189792.db2.gz IGSQSAVXZXBPOZ-UHFFFAOYSA-N 2 2 328.416 1.491 20 0 EDADLP CC[NH+](CC)[C@@H](C[NH2+]CCC(=O)NC(N)=O)c1cccc(OC)c1 ZINC000554597036 306196117 /nfs/dbraw/zinc/19/61/17/306196117.db2.gz UCBVOGXEDWAQQV-HNNXBMFYSA-N 2 2 336.436 1.253 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000556988014 306222662 /nfs/dbraw/zinc/22/26/62/306222662.db2.gz QTXBZDZAYDPLRL-LLVKDONJSA-N 2 2 340.449 1.340 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000556988014 306222663 /nfs/dbraw/zinc/22/26/63/306222663.db2.gz QTXBZDZAYDPLRL-LLVKDONJSA-N 2 2 340.449 1.340 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000414949717 447371125 /nfs/dbraw/zinc/37/11/25/447371125.db2.gz DCOXGPBTNGVOFM-GDBMZVCRSA-N 2 2 332.448 1.768 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@@H]1O ZINC000426150184 447396421 /nfs/dbraw/zinc/39/64/21/447396421.db2.gz DKCSUSCRXGLGSR-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@@H]1O ZINC000426150184 447396425 /nfs/dbraw/zinc/39/64/25/447396425.db2.gz DKCSUSCRXGLGSR-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378438873 447427845 /nfs/dbraw/zinc/42/78/45/447427845.db2.gz YKXGVSOKGRRJPN-HKUYNNGSSA-N 2 2 345.487 1.860 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378438873 447427853 /nfs/dbraw/zinc/42/78/53/447427853.db2.gz YKXGVSOKGRRJPN-HKUYNNGSSA-N 2 2 345.487 1.860 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000044529586 440853165 /nfs/dbraw/zinc/85/31/65/440853165.db2.gz URJXIYHXCGEUEB-JTQLQIEISA-N 2 2 327.226 1.453 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000044529586 440853171 /nfs/dbraw/zinc/85/31/71/440853171.db2.gz URJXIYHXCGEUEB-JTQLQIEISA-N 2 2 327.226 1.453 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045794069 441037605 /nfs/dbraw/zinc/03/76/05/441037605.db2.gz YSUOCNMBOBQCCU-OAHLLOKOSA-N 2 2 345.447 1.711 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000098030196 441147928 /nfs/dbraw/zinc/14/79/28/441147928.db2.gz LADWKLADBOMGPY-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000098030196 441147931 /nfs/dbraw/zinc/14/79/31/441147931.db2.gz LADWKLADBOMGPY-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@H+](C)C1CC1 ZINC000105104053 441233530 /nfs/dbraw/zinc/23/35/30/441233530.db2.gz AMANBOQLDMAFSY-AWEZNQCLSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@@H+](C)C1CC1 ZINC000105104053 441233534 /nfs/dbraw/zinc/23/35/34/441233534.db2.gz AMANBOQLDMAFSY-AWEZNQCLSA-N 2 2 331.464 1.964 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000081350220 441256037 /nfs/dbraw/zinc/25/60/37/441256037.db2.gz ZMLIPAXEFODYAE-OAHLLOKOSA-N 2 2 328.416 1.797 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000081364210 441258056 /nfs/dbraw/zinc/25/80/56/441258056.db2.gz NHODBTYMSVXVRC-CQSZACIVSA-N 2 2 328.420 1.466 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000081364210 441258061 /nfs/dbraw/zinc/25/80/61/441258061.db2.gz NHODBTYMSVXVRC-CQSZACIVSA-N 2 2 328.420 1.466 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000023697884 441297940 /nfs/dbraw/zinc/29/79/40/441297940.db2.gz PDZMRZDZEXDTFY-UHFFFAOYSA-N 2 2 348.466 1.548 20 0 EDADLP CC(C)[C@H](CNC(=O)NCc1ccc(N(C)C)[nH+]c1)[NH+]1CCOCC1 ZINC000048484693 441309410 /nfs/dbraw/zinc/30/94/10/441309410.db2.gz XBQKJNJRELPERH-INIZCTEOSA-N 2 2 349.479 1.304 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000105896912 441311545 /nfs/dbraw/zinc/31/15/45/441311545.db2.gz ZFZLUGXHSHMZIV-OWCLPIDISA-N 2 2 334.464 1.718 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000105896912 441311548 /nfs/dbraw/zinc/31/15/48/441311548.db2.gz ZFZLUGXHSHMZIV-OWCLPIDISA-N 2 2 334.464 1.718 20 0 EDADLP CCC[NH+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000073364601 441312966 /nfs/dbraw/zinc/31/29/66/441312966.db2.gz SYKXUPLPRYXIKA-UHFFFAOYSA-N 2 2 344.503 1.602 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCOC2)CC1 ZINC000106879574 441383953 /nfs/dbraw/zinc/38/39/53/441383953.db2.gz YFVORXAUAPYXSK-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCOC2)CC1 ZINC000106879574 441383956 /nfs/dbraw/zinc/38/39/56/441383956.db2.gz YFVORXAUAPYXSK-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(C)no3)C2)CC1 ZINC000107371531 441414558 /nfs/dbraw/zinc/41/45/58/441414558.db2.gz XZSLDGVBHBDWIR-LSDHHAIUSA-N 2 2 335.452 1.022 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(C)no3)C2)CC1 ZINC000107371531 441414559 /nfs/dbraw/zinc/41/45/59/441414559.db2.gz XZSLDGVBHBDWIR-LSDHHAIUSA-N 2 2 335.452 1.022 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074267266 441414648 /nfs/dbraw/zinc/41/46/48/441414648.db2.gz GNUNMWBNNCHGQB-NVXWUHKLSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074267266 441414651 /nfs/dbraw/zinc/41/46/51/441414651.db2.gz GNUNMWBNNCHGQB-NVXWUHKLSA-N 2 2 336.480 1.119 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)CC1 ZINC000107370885 441414632 /nfs/dbraw/zinc/41/46/32/441414632.db2.gz VFVLVXGJRHTCPS-KRWDZBQOSA-N 2 2 341.459 1.948 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)CC1 ZINC000107370885 441414636 /nfs/dbraw/zinc/41/46/36/441414636.db2.gz VFVLVXGJRHTCPS-KRWDZBQOSA-N 2 2 341.459 1.948 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000109168010 441490260 /nfs/dbraw/zinc/49/02/60/441490260.db2.gz FGVLZXLEUFCVJF-MRXNPFEDSA-N 2 2 349.479 1.276 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)CCCn3cc[nH+]c3)CC2)s1 ZINC000110939307 441525671 /nfs/dbraw/zinc/52/56/71/441525671.db2.gz PRSGFAITWRPXAS-UHFFFAOYSA-N 2 2 333.461 1.773 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109754407 441504374 /nfs/dbraw/zinc/50/43/74/441504374.db2.gz UDWWXKKWDPIVBR-DLBZAZTESA-N 2 2 338.540 1.782 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109754407 441504378 /nfs/dbraw/zinc/50/43/78/441504378.db2.gz UDWWXKKWDPIVBR-DLBZAZTESA-N 2 2 338.540 1.782 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109935 441599004 /nfs/dbraw/zinc/59/90/04/441599004.db2.gz JVFSZJWXJOGHHX-INIZCTEOSA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109935 441599008 /nfs/dbraw/zinc/59/90/08/441599008.db2.gz JVFSZJWXJOGHHX-INIZCTEOSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109935 441599010 /nfs/dbraw/zinc/59/90/10/441599010.db2.gz JVFSZJWXJOGHHX-INIZCTEOSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109935 441599013 /nfs/dbraw/zinc/59/90/13/441599013.db2.gz JVFSZJWXJOGHHX-INIZCTEOSA-N 2 2 344.459 1.429 20 0 EDADLP [NH3+]C1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000036754206 441609529 /nfs/dbraw/zinc/60/95/29/441609529.db2.gz HRAJQYLUDVRAHL-UHFFFAOYSA-N 2 2 337.221 1.380 20 0 EDADLP CN1CC[NH+]([C@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)c2ccccc2)CC1 ZINC000113454721 441609903 /nfs/dbraw/zinc/60/99/03/441609903.db2.gz DSDFDUOTDSLDPQ-MJGOQNOKSA-N 2 2 344.503 1.385 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000067246023 441620745 /nfs/dbraw/zinc/62/07/45/441620745.db2.gz JXZGJDLUXSOHLY-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000067246023 441620749 /nfs/dbraw/zinc/62/07/49/441620749.db2.gz JXZGJDLUXSOHLY-IBGZPJMESA-N 2 2 346.519 1.823 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)ccc2[nH+]1 ZINC000090478404 441630973 /nfs/dbraw/zinc/63/09/73/441630973.db2.gz QMJCSZFLCHJLJS-MRXNPFEDSA-N 2 2 343.431 1.971 20 0 EDADLP CSCCNC(=O)N1CC[NH+](C2CC3CCC(C2)[NH+]3C)CC1 ZINC000121495300 441718401 /nfs/dbraw/zinc/71/84/01/441718401.db2.gz CBTQDLSIYJIVME-YIONKMFJSA-N 2 2 326.510 1.302 20 0 EDADLP CSCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121495300 441718406 /nfs/dbraw/zinc/71/84/06/441718406.db2.gz CBTQDLSIYJIVME-YIONKMFJSA-N 2 2 326.510 1.302 20 0 EDADLP CSCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121495300 441718410 /nfs/dbraw/zinc/71/84/10/441718410.db2.gz CBTQDLSIYJIVME-YIONKMFJSA-N 2 2 326.510 1.302 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137188503 441753736 /nfs/dbraw/zinc/75/37/36/441753736.db2.gz MNXKEIJFABHBND-ROUUACIJSA-N 2 2 343.471 1.566 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000158761893 441762594 /nfs/dbraw/zinc/76/25/94/441762594.db2.gz PGPYASMSEZNPBS-AEFFLSMTSA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000158761893 441762598 /nfs/dbraw/zinc/76/25/98/441762598.db2.gz PGPYASMSEZNPBS-AEFFLSMTSA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000158761893 441762601 /nfs/dbraw/zinc/76/26/01/441762601.db2.gz PGPYASMSEZNPBS-AEFFLSMTSA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000158761893 441762605 /nfs/dbraw/zinc/76/26/05/441762605.db2.gz PGPYASMSEZNPBS-AEFFLSMTSA-N 3 2 336.524 1.392 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000116400028 441818375 /nfs/dbraw/zinc/81/83/75/441818375.db2.gz REGMHRLUUIWLIU-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000116400028 441818378 /nfs/dbraw/zinc/81/83/78/441818378.db2.gz REGMHRLUUIWLIU-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116400035 441819259 /nfs/dbraw/zinc/81/92/59/441819259.db2.gz REGMHRLUUIWLIU-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000116400035 441819263 /nfs/dbraw/zinc/81/92/63/441819263.db2.gz REGMHRLUUIWLIU-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000173643295 441813852 /nfs/dbraw/zinc/81/38/52/441813852.db2.gz RBBDTWYJMRLUAK-AWEZNQCLSA-N 2 2 347.459 1.917 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000043311023 441833676 /nfs/dbraw/zinc/83/36/76/441833676.db2.gz BWBUJBNAVRAWPF-UHFFFAOYSA-N 2 2 331.420 1.323 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)COC/C=C/c2ccccc2)CC1 ZINC000119297154 441926827 /nfs/dbraw/zinc/92/68/27/441926827.db2.gz NNUARGTZCONVEK-RMKNXTFCSA-N 2 2 345.487 1.859 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000119923101 441975994 /nfs/dbraw/zinc/97/59/94/441975994.db2.gz ZYOUEBUPUBCBCS-GVDBMIGSSA-N 2 2 347.463 1.310 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000119923101 441976000 /nfs/dbraw/zinc/97/60/00/441976000.db2.gz ZYOUEBUPUBCBCS-GVDBMIGSSA-N 2 2 347.463 1.310 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)NCc1ccccc1 ZINC000150783434 441949859 /nfs/dbraw/zinc/94/98/59/441949859.db2.gz LTJLKNUHZNXTQT-QGZVFWFLSA-N 2 2 344.459 1.430 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)NCc1ccccc1 ZINC000150783434 441949866 /nfs/dbraw/zinc/94/98/66/441949866.db2.gz LTJLKNUHZNXTQT-QGZVFWFLSA-N 2 2 344.459 1.430 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000119980017 441986441 /nfs/dbraw/zinc/98/64/41/441986441.db2.gz SYWMAYNBZURBOS-XHSDSOJGSA-N 2 2 344.463 1.812 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000119980017 441986446 /nfs/dbraw/zinc/98/64/46/441986446.db2.gz SYWMAYNBZURBOS-XHSDSOJGSA-N 2 2 344.463 1.812 20 0 EDADLP C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000161676876 442022686 /nfs/dbraw/zinc/02/26/86/442022686.db2.gz SJBZNVXKDXTISZ-WREIHNQOSA-N 2 2 339.505 1.104 20 0 EDADLP C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000161676876 442022690 /nfs/dbraw/zinc/02/26/90/442022690.db2.gz SJBZNVXKDXTISZ-WREIHNQOSA-N 2 2 339.505 1.104 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000120235382 442034722 /nfs/dbraw/zinc/03/47/22/442034722.db2.gz XICZMWDYRJVVIA-ZBFHGGJFSA-N 2 2 342.447 1.749 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000120235382 442034730 /nfs/dbraw/zinc/03/47/30/442034730.db2.gz XICZMWDYRJVVIA-ZBFHGGJFSA-N 2 2 342.447 1.749 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000151523932 442077969 /nfs/dbraw/zinc/07/79/69/442077969.db2.gz OFTXTFUNGQPGKX-GFCCVEGCSA-N 2 2 331.445 1.952 20 0 EDADLP CO[C@@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000175581265 442088576 /nfs/dbraw/zinc/08/85/76/442088576.db2.gz VHARZFAEIBKBCB-SFHVURJKSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000120669440 442114766 /nfs/dbraw/zinc/11/47/66/442114766.db2.gz VEVPBBMSXGWKJU-FUHWJXTLSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000120669440 442114770 /nfs/dbraw/zinc/11/47/70/442114770.db2.gz VEVPBBMSXGWKJU-FUHWJXTLSA-N 2 2 336.524 1.536 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000120599481 442101419 /nfs/dbraw/zinc/10/14/19/442101419.db2.gz MFCIJGDGZVUOGP-QAETUUGQSA-N 2 2 325.497 1.721 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000162544637 442101588 /nfs/dbraw/zinc/10/15/88/442101588.db2.gz MBYGPBLFXDWYIV-SJORKVTESA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000162544637 442101595 /nfs/dbraw/zinc/10/15/95/442101595.db2.gz MBYGPBLFXDWYIV-SJORKVTESA-N 2 2 335.423 1.098 20 0 EDADLP COc1cc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1C ZINC000175673132 442103427 /nfs/dbraw/zinc/10/34/27/442103427.db2.gz POCQZCJTZIEDBF-UHFFFAOYSA-N 2 2 348.491 1.829 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000163234662 442152097 /nfs/dbraw/zinc/15/20/97/442152097.db2.gz UHYLPNOSYHLPBT-OAHLLOKOSA-N 2 2 327.432 1.297 20 0 EDADLP C[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1C ZINC000176023975 442162958 /nfs/dbraw/zinc/16/29/58/442162958.db2.gz BCFMDWLIMMPUMW-OAGGEKHMSA-N 2 2 325.497 1.628 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000176297348 442206900 /nfs/dbraw/zinc/20/69/00/442206900.db2.gz IVZQDVGMECVYIY-CVEARBPZSA-N 2 2 325.416 1.966 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000176297348 442206903 /nfs/dbraw/zinc/20/69/03/442206903.db2.gz IVZQDVGMECVYIY-CVEARBPZSA-N 2 2 325.416 1.966 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152417382 442209986 /nfs/dbraw/zinc/20/99/86/442209986.db2.gz VRQQPBYJRZMJFI-HUUCEWRRSA-N 2 2 346.475 1.647 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152417382 442209990 /nfs/dbraw/zinc/20/99/90/442209990.db2.gz VRQQPBYJRZMJFI-HUUCEWRRSA-N 2 2 346.475 1.647 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152417382 442209994 /nfs/dbraw/zinc/20/99/94/442209994.db2.gz VRQQPBYJRZMJFI-HUUCEWRRSA-N 2 2 346.475 1.647 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152417382 442209997 /nfs/dbraw/zinc/20/99/97/442209997.db2.gz VRQQPBYJRZMJFI-HUUCEWRRSA-N 2 2 346.475 1.647 20 0 EDADLP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)C[C@H](C)O1 ZINC000169200524 442225798 /nfs/dbraw/zinc/22/57/98/442225798.db2.gz SRADQLJUZWQSNH-XEZPLFJOSA-N 2 2 335.473 1.897 20 0 EDADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000128780937 442288129 /nfs/dbraw/zinc/28/81/29/442288129.db2.gz MSJXDVPZUYZSIE-IAGOWNOFSA-N 2 2 346.475 1.525 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177140069 442303827 /nfs/dbraw/zinc/30/38/27/442303827.db2.gz OPLVMGVTTYPEOS-UHFFFAOYSA-N 3 2 332.492 1.504 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000170764713 442260117 /nfs/dbraw/zinc/26/01/17/442260117.db2.gz PMRMPHILMGVPOH-MRXNPFEDSA-N 2 2 347.459 1.568 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000170764713 442260120 /nfs/dbraw/zinc/26/01/20/442260120.db2.gz PMRMPHILMGVPOH-MRXNPFEDSA-N 2 2 347.459 1.568 20 0 EDADLP Cc1nnc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C ZINC000177478897 442347626 /nfs/dbraw/zinc/34/76/26/442347626.db2.gz LIAWHRYRSLGLSW-GASCZTMLSA-N 2 2 335.496 1.835 20 0 EDADLP Cc1nnc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C ZINC000177478897 442347629 /nfs/dbraw/zinc/34/76/29/442347629.db2.gz LIAWHRYRSLGLSW-GASCZTMLSA-N 2 2 335.496 1.835 20 0 EDADLP CC(C)C[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC000153908359 442310135 /nfs/dbraw/zinc/31/01/35/442310135.db2.gz SAKLUVIHIAZIKM-CVEARBPZSA-N 2 2 343.537 1.287 20 0 EDADLP CC(C)C[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)[NH+]1CCOCC1 ZINC000153908359 442310140 /nfs/dbraw/zinc/31/01/40/442310140.db2.gz SAKLUVIHIAZIKM-CVEARBPZSA-N 2 2 343.537 1.287 20 0 EDADLP CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[NH+](C)C ZINC000154918148 442364411 /nfs/dbraw/zinc/36/44/11/442364411.db2.gz IRCGWEBIYYMWSZ-KRWDZBQOSA-N 3 2 338.540 1.639 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000177871475 442392287 /nfs/dbraw/zinc/39/22/87/442392287.db2.gz HSXZTAVNCYADKS-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000177871475 442392288 /nfs/dbraw/zinc/39/22/88/442392288.db2.gz HSXZTAVNCYADKS-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP CC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000177871475 442392292 /nfs/dbraw/zinc/39/22/92/442392292.db2.gz HSXZTAVNCYADKS-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP CC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000177871475 442392293 /nfs/dbraw/zinc/39/22/93/442392293.db2.gz HSXZTAVNCYADKS-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000178240071 442418210 /nfs/dbraw/zinc/41/82/10/442418210.db2.gz AFGUBOZTJTWBPW-CRAIPNDOSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000178240071 442418213 /nfs/dbraw/zinc/41/82/13/442418213.db2.gz AFGUBOZTJTWBPW-CRAIPNDOSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178240071 442418217 /nfs/dbraw/zinc/41/82/17/442418217.db2.gz AFGUBOZTJTWBPW-CRAIPNDOSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178240071 442418218 /nfs/dbraw/zinc/41/82/18/442418218.db2.gz AFGUBOZTJTWBPW-CRAIPNDOSA-N 2 2 335.492 1.620 20 0 EDADLP O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000179429234 442456745 /nfs/dbraw/zinc/45/67/45/442456745.db2.gz CYBVEQKSHJVKRY-UHFFFAOYSA-N 2 2 334.445 1.381 20 0 EDADLP CC1(C)CN(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCO1 ZINC000178759485 442477083 /nfs/dbraw/zinc/47/70/83/442477083.db2.gz SGRUHRITADADEN-UHFFFAOYSA-N 2 2 332.492 1.746 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000156937470 442534498 /nfs/dbraw/zinc/53/44/98/442534498.db2.gz UXAAZTPLBQAPKV-DOTOQJQBSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CC(=O)N2CCNC2=O)CC[N@H+]1Cc1ccccc1 ZINC000156937470 442534502 /nfs/dbraw/zinc/53/45/02/442534502.db2.gz UXAAZTPLBQAPKV-DOTOQJQBSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCNC2=O)CC[NH+]1Cc1ccccc1 ZINC000156937470 442534506 /nfs/dbraw/zinc/53/45/06/442534506.db2.gz UXAAZTPLBQAPKV-DOTOQJQBSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCNC2=O)CC[NH+]1Cc1ccccc1 ZINC000156937470 442534510 /nfs/dbraw/zinc/53/45/10/442534510.db2.gz UXAAZTPLBQAPKV-DOTOQJQBSA-N 2 2 344.459 1.523 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000157169236 442557389 /nfs/dbraw/zinc/55/73/89/442557389.db2.gz CALKNOKEZNGFJU-HZPDHXFCSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000157169236 442557392 /nfs/dbraw/zinc/55/73/92/442557392.db2.gz CALKNOKEZNGFJU-HZPDHXFCSA-N 2 2 325.416 1.824 20 0 EDADLP OC1CC[NH+](CCC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000186603585 442571414 /nfs/dbraw/zinc/57/14/14/442571414.db2.gz CXPMWTLTBNEBTQ-UHFFFAOYSA-N 2 2 328.254 1.781 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000172977810 442576328 /nfs/dbraw/zinc/57/63/28/442576328.db2.gz KBRGDEAZMAMZPX-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000172977810 442576334 /nfs/dbraw/zinc/57/63/34/442576334.db2.gz KBRGDEAZMAMZPX-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000192186387 442610263 /nfs/dbraw/zinc/61/02/63/442610263.db2.gz BGJKRFCIFLYNMH-HOTGVXAUSA-N 2 2 348.516 1.946 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCS[C@@H](C)CC1 ZINC000192186387 442610267 /nfs/dbraw/zinc/61/02/67/442610267.db2.gz BGJKRFCIFLYNMH-HOTGVXAUSA-N 2 2 348.516 1.946 20 0 EDADLP CCOCC[N@H+](CC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179316070 442619509 /nfs/dbraw/zinc/61/95/09/442619509.db2.gz GPOOLNZBZSSFID-MRXNPFEDSA-N 2 2 334.464 1.477 20 0 EDADLP CCOCC[N@@H+](CC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179316070 442619510 /nfs/dbraw/zinc/61/95/10/442619510.db2.gz GPOOLNZBZSSFID-MRXNPFEDSA-N 2 2 334.464 1.477 20 0 EDADLP C[C@H]1COCCN1CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192812155 442688601 /nfs/dbraw/zinc/68/86/01/442688601.db2.gz UINQPGYDXJBPCH-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192812155 442688603 /nfs/dbraw/zinc/68/86/03/442688603.db2.gz UINQPGYDXJBPCH-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCCN1CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000192812155 442688605 /nfs/dbraw/zinc/68/86/05/442688605.db2.gz UINQPGYDXJBPCH-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCCN1CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000192812155 442688608 /nfs/dbraw/zinc/68/86/08/442688608.db2.gz UINQPGYDXJBPCH-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192812155 442688610 /nfs/dbraw/zinc/68/86/10/442688610.db2.gz UINQPGYDXJBPCH-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCC[N@H+]1CCN(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192812155 442688613 /nfs/dbraw/zinc/68/86/13/442688613.db2.gz UINQPGYDXJBPCH-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCC[NH+]1CCN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000192812155 442688615 /nfs/dbraw/zinc/68/86/15/442688615.db2.gz UINQPGYDXJBPCH-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1COCC[NH+]1CCN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000192812155 442688618 /nfs/dbraw/zinc/68/86/18/442688618.db2.gz UINQPGYDXJBPCH-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000188065617 442707279 /nfs/dbraw/zinc/70/72/79/442707279.db2.gz UNNQDBCAFFIBEK-UHFFFAOYSA-N 2 2 326.400 1.426 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1(C)C ZINC000188193167 442722675 /nfs/dbraw/zinc/72/26/75/442722675.db2.gz NCFKQKJNHZMPMJ-KXBFYZLASA-N 2 2 348.491 1.961 20 0 EDADLP CS(=O)(=O)Nc1cccc2c1CC[N@H+](CCC[NH+]1CCCC1)C2 ZINC000193478228 442747038 /nfs/dbraw/zinc/74/70/38/442747038.db2.gz VWHWPAFHLJFZQX-UHFFFAOYSA-N 2 2 337.489 1.902 20 0 EDADLP CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CCC[NH+]1CCCC1)C2 ZINC000193478228 442747039 /nfs/dbraw/zinc/74/70/39/442747039.db2.gz VWHWPAFHLJFZQX-UHFFFAOYSA-N 2 2 337.489 1.902 20 0 EDADLP CCCCNC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182561755 442787398 /nfs/dbraw/zinc/78/73/98/442787398.db2.gz HRPCRHAEAUNCKD-HRBLRVMOSA-N 2 2 336.524 1.534 20 0 EDADLP CCCCNC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182561755 442787399 /nfs/dbraw/zinc/78/73/99/442787399.db2.gz HRPCRHAEAUNCKD-HRBLRVMOSA-N 2 2 336.524 1.534 20 0 EDADLP CCCCNC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182561755 442787402 /nfs/dbraw/zinc/78/74/02/442787402.db2.gz HRPCRHAEAUNCKD-HRBLRVMOSA-N 2 2 336.524 1.534 20 0 EDADLP CCCCNC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182561755 442787403 /nfs/dbraw/zinc/78/74/03/442787403.db2.gz HRPCRHAEAUNCKD-HRBLRVMOSA-N 2 2 336.524 1.534 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246687594 442803486 /nfs/dbraw/zinc/80/34/86/442803486.db2.gz KBHBCWXWMVFEHS-DLBZAZTESA-N 2 2 333.476 1.905 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246687594 442803489 /nfs/dbraw/zinc/80/34/89/442803489.db2.gz KBHBCWXWMVFEHS-DLBZAZTESA-N 2 2 333.476 1.905 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246687594 442803493 /nfs/dbraw/zinc/80/34/93/442803493.db2.gz KBHBCWXWMVFEHS-DLBZAZTESA-N 2 2 333.476 1.905 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246687594 442803496 /nfs/dbraw/zinc/80/34/96/442803496.db2.gz KBHBCWXWMVFEHS-DLBZAZTESA-N 2 2 333.476 1.905 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000193669712 442766088 /nfs/dbraw/zinc/76/60/88/442766088.db2.gz GUJAHDSGQJAMFT-OAHLLOKOSA-N 2 2 325.840 1.391 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2[nH]nnc2-c2ccccc2)CC1 ZINC000194205014 442861418 /nfs/dbraw/zinc/86/14/18/442861418.db2.gz PYJHYPYZMDASEH-UHFFFAOYSA-N 2 2 342.447 1.228 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000268146941 442869259 /nfs/dbraw/zinc/86/92/59/442869259.db2.gz GIEVPDJWMURHPA-RHSMWYFYSA-N 2 2 327.432 1.964 20 0 EDADLP C=Cn1cc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000194275063 442869972 /nfs/dbraw/zinc/86/99/72/442869972.db2.gz BWFRTJUZPYEFGN-UHFFFAOYSA-N 2 2 340.431 1.207 20 0 EDADLP CC(C)CCOCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175688957 318439267 /nfs/dbraw/zinc/43/92/67/318439267.db2.gz SHBVSWNNFUVPKK-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)C[N@@H+]1Cc1ccccc1 ZINC000268156106 442874863 /nfs/dbraw/zinc/87/48/63/442874863.db2.gz YNXHEUFMKUUKPH-HOCLYGCPSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)C[N@H+]1Cc1ccccc1 ZINC000268156106 442874867 /nfs/dbraw/zinc/87/48/67/442874867.db2.gz YNXHEUFMKUUKPH-HOCLYGCPSA-N 2 2 327.432 1.882 20 0 EDADLP C[NH+]1CCC(CNC(=O)Cc2cncs2)([NH+]2CCCCC2)CC1 ZINC000189092755 442875218 /nfs/dbraw/zinc/87/52/18/442875218.db2.gz NBARILWMCWOGGR-UHFFFAOYSA-N 2 2 336.505 1.752 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182161621 318500123 /nfs/dbraw/zinc/50/01/23/318500123.db2.gz PDMFVZZSBNTKMC-ZDUSSCGKSA-N 2 2 334.420 1.409 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189325250 442921344 /nfs/dbraw/zinc/92/13/44/442921344.db2.gz SLLVKRUETQGKNG-UHFFFAOYSA-N 2 2 348.356 1.979 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189325250 442921348 /nfs/dbraw/zinc/92/13/48/442921348.db2.gz SLLVKRUETQGKNG-UHFFFAOYSA-N 2 2 348.356 1.979 20 0 EDADLP CC(C)(C)[C@H](CCO)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000183680742 442952746 /nfs/dbraw/zinc/95/27/46/442952746.db2.gz ITCFLBOJBXGMCA-INIZCTEOSA-N 2 2 337.464 1.311 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]nc3C3CC3)CC2)CC1 ZINC000190236545 443074896 /nfs/dbraw/zinc/07/48/96/443074896.db2.gz KYQWZMHXCLERPF-UHFFFAOYSA-N 2 2 331.464 1.576 20 0 EDADLP COCc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1OC ZINC000268869401 443132067 /nfs/dbraw/zinc/13/20/67/443132067.db2.gz FYISGUBXYSFCNZ-WMLDXEAASA-N 2 2 349.475 1.832 20 0 EDADLP COCc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1OC ZINC000268869401 443132069 /nfs/dbraw/zinc/13/20/69/443132069.db2.gz FYISGUBXYSFCNZ-WMLDXEAASA-N 2 2 349.475 1.832 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869535 443132677 /nfs/dbraw/zinc/13/26/77/443132677.db2.gz GALUUZNKFFFOPF-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869535 443132685 /nfs/dbraw/zinc/13/26/85/443132685.db2.gz GALUUZNKFFFOPF-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000268869535 443132689 /nfs/dbraw/zinc/13/26/89/443132689.db2.gz GALUUZNKFFFOPF-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000268869535 443132693 /nfs/dbraw/zinc/13/26/93/443132693.db2.gz GALUUZNKFFFOPF-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869535 443132699 /nfs/dbraw/zinc/13/26/99/443132699.db2.gz GALUUZNKFFFOPF-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869535 443132704 /nfs/dbraw/zinc/13/27/04/443132704.db2.gz GALUUZNKFFFOPF-HOJAQTOUSA-N 2 2 330.520 1.875 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000185129977 443143857 /nfs/dbraw/zinc/14/38/57/443143857.db2.gz KBBUMZAZCYXPTE-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000185129977 443143860 /nfs/dbraw/zinc/14/38/60/443143860.db2.gz KBBUMZAZCYXPTE-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000268801637 443112671 /nfs/dbraw/zinc/11/26/71/443112671.db2.gz JLYWPIYPBVOCKQ-ICSRJNTNSA-N 4 2 345.535 1.914 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000266553035 443166000 /nfs/dbraw/zinc/16/60/00/443166000.db2.gz UEMKWZXQBIQMST-UHFFFAOYSA-N 2 2 330.436 1.932 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261909021 443173695 /nfs/dbraw/zinc/17/36/95/443173695.db2.gz XJKYMZBMZUZCEB-IBGZPJMESA-N 2 2 346.475 1.778 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261909021 443173698 /nfs/dbraw/zinc/17/36/98/443173698.db2.gz XJKYMZBMZUZCEB-IBGZPJMESA-N 2 2 346.475 1.778 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649475 443196819 /nfs/dbraw/zinc/19/68/19/443196819.db2.gz XVDLJYAFSZBVMU-CHWSQXEVSA-N 2 2 345.447 1.457 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649475 443196821 /nfs/dbraw/zinc/19/68/21/443196821.db2.gz XVDLJYAFSZBVMU-CHWSQXEVSA-N 2 2 345.447 1.457 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649475 443196825 /nfs/dbraw/zinc/19/68/25/443196825.db2.gz XVDLJYAFSZBVMU-CHWSQXEVSA-N 2 2 345.447 1.457 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649475 443196827 /nfs/dbraw/zinc/19/68/27/443196827.db2.gz XVDLJYAFSZBVMU-CHWSQXEVSA-N 2 2 345.447 1.457 20 0 EDADLP Cc1nnc(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)s1 ZINC000269183569 443224846 /nfs/dbraw/zinc/22/48/46/443224846.db2.gz CTHSCZMRAFVOQD-AWEZNQCLSA-N 2 2 342.428 1.600 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000245425625 443226374 /nfs/dbraw/zinc/22/63/74/443226374.db2.gz KUKIIEXBPCIRDR-HUUCEWRRSA-N 2 2 326.485 1.520 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000245425625 443226378 /nfs/dbraw/zinc/22/63/78/443226378.db2.gz KUKIIEXBPCIRDR-HUUCEWRRSA-N 2 2 326.485 1.520 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000245425625 443226383 /nfs/dbraw/zinc/22/63/83/443226383.db2.gz KUKIIEXBPCIRDR-HUUCEWRRSA-N 2 2 326.485 1.520 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000245425625 443226386 /nfs/dbraw/zinc/22/63/86/443226386.db2.gz KUKIIEXBPCIRDR-HUUCEWRRSA-N 2 2 326.485 1.520 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000332935477 318970520 /nfs/dbraw/zinc/97/05/20/318970520.db2.gz ITPSGTVAWHBPFC-IRXDYDNUSA-N 2 2 334.464 1.237 20 0 EDADLP Cc1nnc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000185454863 443202703 /nfs/dbraw/zinc/20/27/03/443202703.db2.gz NFWINOIQDMTQIT-UHFFFAOYSA-N 2 2 337.493 1.527 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)C1 ZINC000351268127 319098845 /nfs/dbraw/zinc/09/88/45/319098845.db2.gz JDYUYDXMUDQEGQ-MCIONIFRSA-N 2 2 333.436 1.707 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)C1 ZINC000351268127 319098846 /nfs/dbraw/zinc/09/88/46/319098846.db2.gz JDYUYDXMUDQEGQ-MCIONIFRSA-N 2 2 333.436 1.707 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCCC[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000413032528 319258719 /nfs/dbraw/zinc/25/87/19/319258719.db2.gz KMFQFWXCOWCUBB-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NCCC[NH+]3CCCCC3)[nH+]cn2)C1 ZINC000413032528 319258720 /nfs/dbraw/zinc/25/87/20/319258720.db2.gz KMFQFWXCOWCUBB-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)Cn1cc[nH+]c1 ZINC000414466366 319327911 /nfs/dbraw/zinc/32/79/11/319327911.db2.gz HAQYHAXGZHPTKD-CQSZACIVSA-N 2 2 336.461 1.559 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2[nH+]c1C1CC1 ZINC000415268184 319358553 /nfs/dbraw/zinc/35/85/53/319358553.db2.gz NIPVGJHXLFMDGK-LBPRGKRZSA-N 2 2 341.415 1.339 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000266927902 443293072 /nfs/dbraw/zinc/29/30/72/443293072.db2.gz XZLFHKYZENPHNA-IAGOWNOFSA-N 2 2 333.476 1.591 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000266927902 443293075 /nfs/dbraw/zinc/29/30/75/443293075.db2.gz XZLFHKYZENPHNA-IAGOWNOFSA-N 2 2 333.476 1.591 20 0 EDADLP CCC[C@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185857089 443270292 /nfs/dbraw/zinc/27/02/92/443270292.db2.gz GDZQLRRPNGJPJF-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CCC[C@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185857089 443270297 /nfs/dbraw/zinc/27/02/97/443270297.db2.gz GDZQLRRPNGJPJF-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000416828531 319464828 /nfs/dbraw/zinc/46/48/28/319464828.db2.gz MFOQDXOXSMCLAA-YOEHRIQHSA-N 2 2 338.427 1.760 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416869432 319468701 /nfs/dbraw/zinc/46/87/01/319468701.db2.gz UZNDMELXCAZACS-OAHLLOKOSA-N 2 2 334.464 1.174 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)[C@H](C[NH3+])C1 ZINC000416932829 319477707 /nfs/dbraw/zinc/47/77/07/319477707.db2.gz RFRFXMQBEQGGGS-HOCLYGCPSA-N 2 2 347.463 1.187 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000278409144 443322297 /nfs/dbraw/zinc/32/22/97/443322297.db2.gz ROKXOXDDTYWRQJ-MPGHIAIKSA-N 2 2 333.432 1.935 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000417273452 319489163 /nfs/dbraw/zinc/48/91/63/319489163.db2.gz SOWYYKVJVCPBES-MRXNPFEDSA-N 2 2 344.525 1.011 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000264460869 443299864 /nfs/dbraw/zinc/29/98/64/443299864.db2.gz VCYBMPZTJCDZME-AEFFLSMTSA-N 2 2 332.492 1.432 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000264460869 443299867 /nfs/dbraw/zinc/29/98/67/443299867.db2.gz VCYBMPZTJCDZME-AEFFLSMTSA-N 2 2 332.492 1.432 20 0 EDADLP CN(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000267149401 443359200 /nfs/dbraw/zinc/35/92/00/443359200.db2.gz MBJDIBQVXHIFSS-KRWDZBQOSA-N 2 2 334.464 1.263 20 0 EDADLP CCSc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccn1 ZINC000267307701 443413224 /nfs/dbraw/zinc/41/32/24/443413224.db2.gz ZFXNVDJXRCDBON-UHFFFAOYSA-N 2 2 336.505 1.949 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000269696429 443400776 /nfs/dbraw/zinc/40/07/76/443400776.db2.gz KCYYXVJVJQWIDK-AWEZNQCLSA-N 2 2 336.461 1.181 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264909600 443472774 /nfs/dbraw/zinc/47/27/74/443472774.db2.gz NBFVPGIGZLPDCD-INIZCTEOSA-N 2 2 340.427 1.850 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000264909600 443472776 /nfs/dbraw/zinc/47/27/76/443472776.db2.gz NBFVPGIGZLPDCD-INIZCTEOSA-N 2 2 340.427 1.850 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264947958 443487500 /nfs/dbraw/zinc/48/75/00/443487500.db2.gz AMQNLVFQJDDAMX-IBGZPJMESA-N 3 2 344.503 1.214 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264947958 443487507 /nfs/dbraw/zinc/48/75/07/443487507.db2.gz AMQNLVFQJDDAMX-IBGZPJMESA-N 3 2 344.503 1.214 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(OCC(=O)N(C)C)c(OC)c1)[C@@H]1CCC[NH2+]1 ZINC000422948131 319740470 /nfs/dbraw/zinc/74/04/70/319740470.db2.gz ZTRJKZKZOXRLBF-HOTGVXAUSA-N 2 2 349.475 1.782 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000265000066 443505035 /nfs/dbraw/zinc/50/50/35/443505035.db2.gz VORQCAFDZUWNQS-QZTJIDSGSA-N 2 2 331.460 1.140 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000265000066 443505040 /nfs/dbraw/zinc/50/50/40/443505040.db2.gz VORQCAFDZUWNQS-QZTJIDSGSA-N 2 2 331.460 1.140 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)c1cscn1 ZINC000423305279 319762451 /nfs/dbraw/zinc/76/24/51/319762451.db2.gz QJJDEAIMQARSFT-INIZCTEOSA-N 2 2 330.457 1.530 20 0 EDADLP [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000423319149 319764335 /nfs/dbraw/zinc/76/43/35/319764335.db2.gz CIRCJUJUCNQGFQ-QGZVFWFLSA-N 2 2 346.475 1.832 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1=CC[N@H+](C)CC1 ZINC000273030765 443524145 /nfs/dbraw/zinc/52/41/45/443524145.db2.gz UXFNHOVYNHQQQM-MRXNPFEDSA-N 2 2 343.475 1.559 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000273030765 443524147 /nfs/dbraw/zinc/52/41/47/443524147.db2.gz UXFNHOVYNHQQQM-MRXNPFEDSA-N 2 2 343.475 1.559 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000423701564 319804640 /nfs/dbraw/zinc/80/46/40/319804640.db2.gz WEHODZGEZVCCJZ-HNNXBMFYSA-N 2 2 334.370 1.587 20 0 EDADLP C[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423738685 319808860 /nfs/dbraw/zinc/80/88/60/319808860.db2.gz GJPHQHAPLFCGRV-MAUKXSAKSA-N 2 2 341.459 1.400 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000423892176 319824988 /nfs/dbraw/zinc/82/49/88/319824988.db2.gz KHBCBBQAEPIBDQ-OAHLLOKOSA-N 2 2 326.444 1.866 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCN(c2ncc[nH]c2=O)C1 ZINC000275726612 443640210 /nfs/dbraw/zinc/64/02/10/443640210.db2.gz ZKWKNVZVFMCNNB-AWEZNQCLSA-N 2 2 328.420 1.402 20 0 EDADLP Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)o1 ZINC000265346868 443612062 /nfs/dbraw/zinc/61/20/62/443612062.db2.gz JOXMBIUVZPXEKC-MRXNPFEDSA-N 2 2 349.475 1.952 20 0 EDADLP Cc1ccc([C@H]2CCC[N@H+]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)o1 ZINC000265346868 443612064 /nfs/dbraw/zinc/61/20/64/443612064.db2.gz JOXMBIUVZPXEKC-MRXNPFEDSA-N 2 2 349.475 1.952 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NCC[NH+](C)C1CC1)c1ccccc1 ZINC000283374541 443616283 /nfs/dbraw/zinc/61/62/83/443616283.db2.gz GCZBHRQVASBLRL-UHFFFAOYSA-N 2 2 346.475 1.230 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NCC[NH+](C)C1CC1)c1ccccc1 ZINC000283374541 443616286 /nfs/dbraw/zinc/61/62/86/443616286.db2.gz GCZBHRQVASBLRL-UHFFFAOYSA-N 2 2 346.475 1.230 20 0 EDADLP CC[NH+](CCCNC(=O)C(=O)NCC[N@H+](C)C1CC1)c1ccccc1 ZINC000283374541 443616288 /nfs/dbraw/zinc/61/62/88/443616288.db2.gz GCZBHRQVASBLRL-UHFFFAOYSA-N 2 2 346.475 1.230 20 0 EDADLP CC[NH+](CCCNC(=O)C(=O)NCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000283374541 443616292 /nfs/dbraw/zinc/61/62/92/443616292.db2.gz GCZBHRQVASBLRL-UHFFFAOYSA-N 2 2 346.475 1.230 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000434867723 320005525 /nfs/dbraw/zinc/00/55/25/320005525.db2.gz FWNHJXUGOSHGQN-OAHLLOKOSA-N 2 2 334.489 1.783 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000440262743 320066894 /nfs/dbraw/zinc/06/68/94/320066894.db2.gz CSPVJDCOKFIRRX-AWEZNQCLSA-N 2 2 332.448 1.158 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000440262743 320066895 /nfs/dbraw/zinc/06/68/95/320066895.db2.gz CSPVJDCOKFIRRX-AWEZNQCLSA-N 2 2 332.448 1.158 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000441348075 320093738 /nfs/dbraw/zinc/09/37/38/320093738.db2.gz QDSZGLAZNOLQKU-SMDDNHRTSA-N 2 2 347.431 1.173 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000441348075 320093739 /nfs/dbraw/zinc/09/37/39/320093739.db2.gz QDSZGLAZNOLQKU-SMDDNHRTSA-N 2 2 347.431 1.173 20 0 EDADLP COc1cc(C)ccc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000449226329 320180254 /nfs/dbraw/zinc/18/02/54/320180254.db2.gz QZFDYZABYOONMM-QGZVFWFLSA-N 2 2 347.459 1.026 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389814 320186878 /nfs/dbraw/zinc/18/68/78/320186878.db2.gz UDKIGYCTSHEHJT-YOEHRIQHSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389814 320186879 /nfs/dbraw/zinc/18/68/79/320186879.db2.gz UDKIGYCTSHEHJT-YOEHRIQHSA-N 2 2 337.439 1.979 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C[C@@H]1C ZINC000449397553 320188508 /nfs/dbraw/zinc/18/85/08/320188508.db2.gz QODWACDMGGEPAI-LUKYLMHMSA-N 2 2 326.481 1.791 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C[C@@H]1C ZINC000449397553 320188509 /nfs/dbraw/zinc/18/85/09/320188509.db2.gz QODWACDMGGEPAI-LUKYLMHMSA-N 2 2 326.481 1.791 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC000453637517 320265498 /nfs/dbraw/zinc/26/54/98/320265498.db2.gz UYNDJKMOMLCUCC-CVEARBPZSA-N 2 2 337.464 1.147 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000456526769 320309439 /nfs/dbraw/zinc/30/94/39/320309439.db2.gz IKAVOCJHMPVASR-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000456526769 320309441 /nfs/dbraw/zinc/30/94/41/320309441.db2.gz IKAVOCJHMPVASR-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459323926 320346695 /nfs/dbraw/zinc/34/66/95/320346695.db2.gz UZEOWETZLKLHAX-BRWVUGGUSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459323926 320346696 /nfs/dbraw/zinc/34/66/96/320346696.db2.gz UZEOWETZLKLHAX-BRWVUGGUSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCc3c[nH+]cn3C)CC2)C1 ZINC000459362022 320347266 /nfs/dbraw/zinc/34/72/66/320347266.db2.gz GJENULUWVZQGHL-SJORKVTESA-N 2 2 347.507 1.275 20 0 EDADLP C[NH+](C)CCOCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000471647960 320353171 /nfs/dbraw/zinc/35/31/71/320353171.db2.gz JVUCUUQCAPDEQF-UHFFFAOYSA-N 2 2 349.410 1.389 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000514589124 320429252 /nfs/dbraw/zinc/42/92/52/320429252.db2.gz GWETUDJTPFZCRJ-CQSZACIVSA-N 2 2 344.419 1.186 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)ccc2n1C ZINC000527379247 320508430 /nfs/dbraw/zinc/50/84/30/320508430.db2.gz XBVYDYRCULWVJT-UHFFFAOYSA-N 2 2 331.420 1.325 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000288105595 443773059 /nfs/dbraw/zinc/77/30/59/443773059.db2.gz XDGGINLVCCYSLM-INIZCTEOSA-N 2 2 347.463 1.037 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000288105595 443773063 /nfs/dbraw/zinc/77/30/63/443773063.db2.gz XDGGINLVCCYSLM-INIZCTEOSA-N 2 2 347.463 1.037 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000529290771 320572361 /nfs/dbraw/zinc/57/23/61/320572361.db2.gz LXPLYLZJXCFHAF-MRXNPFEDSA-N 2 2 331.464 1.690 20 0 EDADLP CC(C)[C@H](CNC(=O)NCCNc1cccc[nH+]1)[NH+]1CCN(C)CC1 ZINC000298634371 443824558 /nfs/dbraw/zinc/82/45/58/443824558.db2.gz BRYKIRJKSISSLS-INIZCTEOSA-N 2 2 348.495 1.065 20 0 EDADLP C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239492 320616942 /nfs/dbraw/zinc/61/69/42/320616942.db2.gz GGPLIFFHCHZGAC-GXTWGEPZSA-N 2 2 338.477 1.561 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[NH+](CC2CC2)CC1 ZINC000299079809 443948316 /nfs/dbraw/zinc/94/83/16/443948316.db2.gz WAGYDNGSRNDBTH-UHFFFAOYSA-N 2 2 343.475 1.919 20 0 EDADLP C[N@H+](CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)Cc1ccc(F)cc1 ZINC000288561675 443919224 /nfs/dbraw/zinc/91/92/24/443919224.db2.gz ZLGPTTXVBWLSOQ-HNNXBMFYSA-N 2 2 345.378 1.144 20 0 EDADLP C[N@@H+](CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)Cc1ccc(F)cc1 ZINC000288561675 443919226 /nfs/dbraw/zinc/91/92/26/443919226.db2.gz ZLGPTTXVBWLSOQ-HNNXBMFYSA-N 2 2 345.378 1.144 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc(Cl)n1C ZINC000281696550 443981554 /nfs/dbraw/zinc/98/15/54/443981554.db2.gz NKGDBUGYIDXFLZ-LBPRGKRZSA-N 2 2 327.860 1.106 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc(Cl)n1C ZINC000281696550 443981557 /nfs/dbraw/zinc/98/15/57/443981557.db2.gz NKGDBUGYIDXFLZ-LBPRGKRZSA-N 2 2 327.860 1.106 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299264236 443999828 /nfs/dbraw/zinc/99/98/28/443999828.db2.gz LORJCHZFPTWDOP-OCCSQVGLSA-N 2 2 329.404 1.262 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2COc3ccccc32)CC1 ZINC000293220959 443954957 /nfs/dbraw/zinc/95/49/57/443954957.db2.gz ZNRJVASMARQSGS-HNNXBMFYSA-N 2 2 346.475 1.488 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C3(CO)CC3)CC2)c1 ZINC000285574023 444033860 /nfs/dbraw/zinc/03/38/60/444033860.db2.gz SUIMVWXRGUTPNZ-UHFFFAOYSA-N 2 2 331.460 1.096 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C3(CO)CC3)CC2)c1 ZINC000285574023 444033865 /nfs/dbraw/zinc/03/38/65/444033865.db2.gz SUIMVWXRGUTPNZ-UHFFFAOYSA-N 2 2 331.460 1.096 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000299474868 444055456 /nfs/dbraw/zinc/05/54/56/444055456.db2.gz BDYVGZDAGKSQEL-WMZOPIPTSA-N 2 2 330.476 1.408 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299315783 444016113 /nfs/dbraw/zinc/01/61/13/444016113.db2.gz PCCUJNBFZKVRCL-OCCSQVGLSA-N 2 2 329.404 1.118 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299315783 444016115 /nfs/dbraw/zinc/01/61/15/444016115.db2.gz PCCUJNBFZKVRCL-OCCSQVGLSA-N 2 2 329.404 1.118 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000293605210 444067933 /nfs/dbraw/zinc/06/79/33/444067933.db2.gz GGGOBCIEOPIXCW-DZGCQCFKSA-N 2 2 335.477 1.782 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000293605210 444067935 /nfs/dbraw/zinc/06/79/35/444067935.db2.gz GGGOBCIEOPIXCW-DZGCQCFKSA-N 2 2 335.477 1.782 20 0 EDADLP O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282036526 444069141 /nfs/dbraw/zinc/06/91/41/444069141.db2.gz LFIOVEREXULMFY-NVXWUHKLSA-N 2 2 329.448 1.656 20 0 EDADLP O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282036526 444069144 /nfs/dbraw/zinc/06/91/44/444069144.db2.gz LFIOVEREXULMFY-NVXWUHKLSA-N 2 2 329.448 1.656 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000277975246 444074050 /nfs/dbraw/zinc/07/40/50/444074050.db2.gz QHRHRBISHDOSPL-UHFFFAOYSA-N 2 2 340.427 1.526 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCC2)[NH+]2CCOCC2)cc1 ZINC000557120945 321000133 /nfs/dbraw/zinc/00/01/33/321000133.db2.gz HDLLIQIMYRWUBA-QGZVFWFLSA-N 2 2 346.475 1.549 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000562719150 321071788 /nfs/dbraw/zinc/07/17/88/321071788.db2.gz XILMZSVLOAVSIE-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[NH+](C)C ZINC000562810245 321077471 /nfs/dbraw/zinc/07/74/71/321077471.db2.gz BWORGNZBCRLRLM-NUJGCVRESA-N 3 2 347.507 1.271 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[NH+](C)C ZINC000562810245 321077473 /nfs/dbraw/zinc/07/74/73/321077473.db2.gz BWORGNZBCRLRLM-NUJGCVRESA-N 3 2 347.507 1.271 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563149506 321099502 /nfs/dbraw/zinc/09/95/02/321099502.db2.gz JALWGZIPIAGPDI-GOSISDBHSA-N 2 2 330.432 1.659 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563149506 321099504 /nfs/dbraw/zinc/09/95/04/321099504.db2.gz JALWGZIPIAGPDI-GOSISDBHSA-N 2 2 330.432 1.659 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000563231839 321102731 /nfs/dbraw/zinc/10/27/31/321102731.db2.gz PJPOBQCRGZRTPN-UHFFFAOYSA-N 2 2 333.411 1.607 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2CCC[NH2+]CC2)[NH+]2CCOCC2)c1 ZINC000563545570 321111207 /nfs/dbraw/zinc/11/12/07/321111207.db2.gz DZYGBUOZNJYPOB-SFHVURJKSA-N 2 2 346.475 1.373 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000564309303 321126883 /nfs/dbraw/zinc/12/68/83/321126883.db2.gz BCNCMLJLHYBTDY-HNNXBMFYSA-N 2 2 340.418 1.866 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C2CCc3ccccc3CC2)C[C@H](C)O1 ZINC000564859970 321152311 /nfs/dbraw/zinc/15/23/11/321152311.db2.gz LJMPGLSXSUYOSG-GQIGUUNPSA-N 2 2 332.488 1.994 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CCc3ccccc3CC2)C[C@H](C)O1 ZINC000564859970 321152312 /nfs/dbraw/zinc/15/23/12/321152312.db2.gz LJMPGLSXSUYOSG-GQIGUUNPSA-N 2 2 332.488 1.994 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000564957268 321160589 /nfs/dbraw/zinc/16/05/89/321160589.db2.gz JVKRDNPVLUGFSK-CABCVRRESA-N 2 2 336.455 1.580 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000565232632 321177322 /nfs/dbraw/zinc/17/73/22/321177322.db2.gz AYBPGEFZFKIBFV-WCQYABFASA-N 2 2 331.313 1.588 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3C(F)(F)F)CCN2C1=O ZINC000565232632 321177323 /nfs/dbraw/zinc/17/73/23/321177323.db2.gz AYBPGEFZFKIBFV-WCQYABFASA-N 2 2 331.313 1.588 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000565321454 321182029 /nfs/dbraw/zinc/18/20/29/321182029.db2.gz LEMNQMIIWOGQBY-AEFFLSMTSA-N 2 2 331.460 1.518 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000565321454 321182030 /nfs/dbraw/zinc/18/20/30/321182030.db2.gz LEMNQMIIWOGQBY-AEFFLSMTSA-N 2 2 331.460 1.518 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000566101045 321214630 /nfs/dbraw/zinc/21/46/30/321214630.db2.gz JNHHUXPTCSSDNZ-UHFFFAOYSA-N 2 2 344.459 1.418 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000566417103 321229387 /nfs/dbraw/zinc/22/93/87/321229387.db2.gz RZKGNRUUBUUERG-QCPUYCGNSA-N 2 2 328.478 1.014 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000566417103 321229389 /nfs/dbraw/zinc/22/93/89/321229389.db2.gz RZKGNRUUBUUERG-QCPUYCGNSA-N 2 2 328.478 1.014 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000567734598 321256154 /nfs/dbraw/zinc/25/61/54/321256154.db2.gz QFFJHEXGNIDGIR-CVEARBPZSA-N 2 2 347.459 1.344 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000567734598 321256156 /nfs/dbraw/zinc/25/61/56/321256156.db2.gz QFFJHEXGNIDGIR-CVEARBPZSA-N 2 2 347.459 1.344 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)CCCC[NH3+])[C@H]1CC12CC[NH2+]CC2 ZINC000567906915 321268337 /nfs/dbraw/zinc/26/83/37/321268337.db2.gz HNDOHOAQYHEVOV-HNNXBMFYSA-N 3 2 333.480 1.503 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)c3cn[nH]c3)CC2)CC1 ZINC000568380350 321288543 /nfs/dbraw/zinc/28/85/43/321288543.db2.gz ZKAWFIHIDLBONB-HNNXBMFYSA-N 2 2 348.495 1.672 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3cn[nH]c3)CC2)CC1 ZINC000568380350 321288544 /nfs/dbraw/zinc/28/85/44/321288544.db2.gz ZKAWFIHIDLBONB-HNNXBMFYSA-N 2 2 348.495 1.672 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cccc3cccnc32)C[C@@H](C)O1 ZINC000568501175 321294412 /nfs/dbraw/zinc/29/44/12/321294412.db2.gz FVSMEKWZGFUTBY-GPMSIDNRSA-N 2 2 343.471 1.837 20 0 EDADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 ZINC000569495724 321328456 /nfs/dbraw/zinc/32/84/56/321328456.db2.gz LAUGLOZMUPLDEP-SJORKVTESA-N 2 2 329.444 1.288 20 0 EDADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 ZINC000569495724 321328457 /nfs/dbraw/zinc/32/84/57/321328457.db2.gz LAUGLOZMUPLDEP-SJORKVTESA-N 2 2 329.444 1.288 20 0 EDADLP Cc1ccc(OCCC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000570508663 321343357 /nfs/dbraw/zinc/34/33/57/321343357.db2.gz FMBDDRQBJPTUJT-BZSNNMDCSA-N 2 2 336.476 1.824 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)[C@H](C[NH3+])C1 ZINC000570550125 321347391 /nfs/dbraw/zinc/34/73/91/321347391.db2.gz YVGIDYRMAUIAIJ-HUUCEWRRSA-N 2 2 349.454 1.079 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)[C@H](C[NH3+])C1 ZINC000570550125 321347393 /nfs/dbraw/zinc/34/73/93/321347393.db2.gz YVGIDYRMAUIAIJ-HUUCEWRRSA-N 2 2 349.454 1.079 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C[C@@H](C)O1 ZINC000570625843 321350992 /nfs/dbraw/zinc/35/09/92/321350992.db2.gz NYPKZRVPPKFQRG-AWPVFBCSSA-N 2 2 330.472 1.775 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285877213 444138827 /nfs/dbraw/zinc/13/88/27/444138827.db2.gz ZHSBMFNFLADUIQ-MRXNPFEDSA-N 2 2 339.480 1.965 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285877213 444138830 /nfs/dbraw/zinc/13/88/30/444138830.db2.gz ZHSBMFNFLADUIQ-MRXNPFEDSA-N 2 2 339.480 1.965 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285877213 444138834 /nfs/dbraw/zinc/13/88/34/444138834.db2.gz ZHSBMFNFLADUIQ-MRXNPFEDSA-N 2 2 339.480 1.965 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285877213 444138837 /nfs/dbraw/zinc/13/88/37/444138837.db2.gz ZHSBMFNFLADUIQ-MRXNPFEDSA-N 2 2 339.480 1.965 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1)NC1CC1 ZINC000301295636 444161502 /nfs/dbraw/zinc/16/15/02/444161502.db2.gz VMDKSRNNHUXXBT-UHFFFAOYSA-N 2 2 328.391 1.775 20 0 EDADLP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000289380213 444123917 /nfs/dbraw/zinc/12/39/17/444123917.db2.gz LBPZKPJCYHDRFN-CVEARBPZSA-N 2 2 338.448 1.646 20 0 EDADLP c1c[nH+]c(N2CCCC2)c(O[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1 ZINC000296123448 444206888 /nfs/dbraw/zinc/20/68/88/444206888.db2.gz YOZVCUAUYXRKRA-QGZVFWFLSA-N 2 2 346.475 1.467 20 0 EDADLP c1c[nH+]c(N2CCCC2)c(O[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000296123448 444206890 /nfs/dbraw/zinc/20/68/90/444206890.db2.gz YOZVCUAUYXRKRA-QGZVFWFLSA-N 2 2 346.475 1.467 20 0 EDADLP CS[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000296165572 444209197 /nfs/dbraw/zinc/20/91/97/444209197.db2.gz HPGUQSIRVCKLPX-QGZVFWFLSA-N 2 2 333.501 1.768 20 0 EDADLP CS[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000296165572 444209198 /nfs/dbraw/zinc/20/91/98/444209198.db2.gz HPGUQSIRVCKLPX-QGZVFWFLSA-N 2 2 333.501 1.768 20 0 EDADLP Nc1nc(-n2cccn2)cc(NC2CCN(c3cccc[nH+]3)CC2)[nH+]1 ZINC000301634944 444182729 /nfs/dbraw/zinc/18/27/29/444182729.db2.gz KWXXNIYEAZXQPF-UHFFFAOYSA-N 2 2 336.403 1.720 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000289661010 444187892 /nfs/dbraw/zinc/18/78/92/444187892.db2.gz YYEPAPLGAJMMGB-CQSZACIVSA-N 2 2 345.365 1.840 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000289661010 444187894 /nfs/dbraw/zinc/18/78/94/444187894.db2.gz YYEPAPLGAJMMGB-CQSZACIVSA-N 2 2 345.365 1.840 20 0 EDADLP CN(c1ccccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000305219200 444266048 /nfs/dbraw/zinc/26/60/48/444266048.db2.gz KLPZUBQBVZJKOW-HXUWFJFHSA-N 3 2 348.535 1.619 20 0 EDADLP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000305219205 444266108 /nfs/dbraw/zinc/26/61/08/444266108.db2.gz KLUYWTRERCWALK-SJORKVTESA-N 2 2 346.475 1.356 20 0 EDADLP C[C@@H](O)C[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000305219205 444266109 /nfs/dbraw/zinc/26/61/09/444266109.db2.gz KLUYWTRERCWALK-SJORKVTESA-N 2 2 346.475 1.356 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccnc3Cl)CC2)CC1 ZINC000289972986 444225540 /nfs/dbraw/zinc/22/55/40/444225540.db2.gz ZGLGZFIDJIUPAL-UHFFFAOYSA-N 2 2 336.867 1.721 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000290018956 444231404 /nfs/dbraw/zinc/23/14/04/444231404.db2.gz CELSDCCJEREFIL-OTWHNJEPSA-N 2 2 345.487 1.810 20 0 EDADLP C[C@H](CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)C[NH+]1CCCC1 ZINC000302919688 444231593 /nfs/dbraw/zinc/23/15/93/444231593.db2.gz YQRAZBAATKSKER-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H](CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)C[NH+]1CCCC1 ZINC000302919688 444231594 /nfs/dbraw/zinc/23/15/94/444231594.db2.gz YQRAZBAATKSKER-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000290032199 444233402 /nfs/dbraw/zinc/23/34/02/444233402.db2.gz RYGNIJQIKKXFSQ-GBESFXJTSA-N 2 2 345.487 1.873 20 0 EDADLP O[C@@H](CN1CCC[C@H]([NH+]2CCCCCC2)C1)C[NH+]1CCOCC1 ZINC000303986837 444239347 /nfs/dbraw/zinc/23/93/47/444239347.db2.gz IXZBVPSCNOKQTQ-ZWKOTPCHSA-N 2 2 325.497 1.020 20 0 EDADLP CC(C)[C@](C)(O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000304041609 444240646 /nfs/dbraw/zinc/24/06/46/444240646.db2.gz IROQGVABIIZXMB-GOSISDBHSA-N 2 2 340.512 1.251 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000296592915 444241859 /nfs/dbraw/zinc/24/18/59/444241859.db2.gz XSTHBRRGEZGQII-CQSZACIVSA-N 2 2 334.439 1.204 20 0 EDADLP CCN(C1CC[NH+](CCCc2c[nH+]cn2C)CC1)S(C)(=O)=O ZINC000577289609 321640323 /nfs/dbraw/zinc/64/03/23/321640323.db2.gz AQIVZMXYGIRWEY-UHFFFAOYSA-N 2 2 328.482 1.099 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c[nH+]1 ZINC000297685195 444318627 /nfs/dbraw/zinc/31/86/27/444318627.db2.gz WOHWMEOXATYIRK-GOSISDBHSA-N 2 2 331.464 1.775 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c[nH+]1 ZINC000297685195 444318628 /nfs/dbraw/zinc/31/86/28/444318628.db2.gz WOHWMEOXATYIRK-GOSISDBHSA-N 2 2 331.464 1.775 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(O)CCCCC2)CC1 ZINC000305720224 444275546 /nfs/dbraw/zinc/27/55/46/444275546.db2.gz WACQDNWWLAJKDV-UHFFFAOYSA-N 2 2 326.485 1.007 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000297320369 444282524 /nfs/dbraw/zinc/28/25/24/444282524.db2.gz FZCKJYCWYIMPMF-INIZCTEOSA-N 2 2 349.479 1.161 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000290454571 444282577 /nfs/dbraw/zinc/28/25/77/444282577.db2.gz MNDYPYIGNIUMCW-UHFFFAOYSA-N 2 2 325.420 1.748 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(Cc2cccnc2)nn1 ZINC000290454571 444282579 /nfs/dbraw/zinc/28/25/79/444282579.db2.gz MNDYPYIGNIUMCW-UHFFFAOYSA-N 2 2 325.420 1.748 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000290597160 444299292 /nfs/dbraw/zinc/29/92/92/444299292.db2.gz OWTBLFQPQXVMJB-NXHRZFHOSA-N 2 2 330.476 1.921 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CC1 ZINC000578506221 321785738 /nfs/dbraw/zinc/78/57/38/321785738.db2.gz WARUHWCWRVNOMP-UKTKYZJWSA-N 2 2 328.460 1.764 20 0 EDADLP C[C@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)C(C)(C)C[NH+](C)C ZINC000340511342 444419506 /nfs/dbraw/zinc/41/95/06/444419506.db2.gz KYOIRQFTNNCGLD-AWEZNQCLSA-N 2 2 349.479 1.092 20 0 EDADLP CC[C@@H](Cn1cncn1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000340514904 444421090 /nfs/dbraw/zinc/42/10/90/444421090.db2.gz QCPYFISXDPNYTP-GOEBONIOSA-N 2 2 329.452 1.704 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000579370112 321927998 /nfs/dbraw/zinc/92/79/98/321927998.db2.gz YEZIOLDMUQUVSF-UHFFFAOYSA-N 2 2 327.432 1.580 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000580174811 322018355 /nfs/dbraw/zinc/01/83/55/322018355.db2.gz OORRHIOEZUWQOZ-GJZGRUSLSA-N 2 2 333.480 1.875 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)ccc2n1C ZINC000580188047 322020317 /nfs/dbraw/zinc/02/03/17/322020317.db2.gz LKSXCZMFWVNBBY-CYBMUJFWSA-N 2 2 339.403 1.650 20 0 EDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](c2ccco2)c2ccccc2)CC1 ZINC000580710971 322085917 /nfs/dbraw/zinc/08/59/17/322085917.db2.gz YHSMFNAPZKCULL-HKUYNNGSSA-N 2 2 329.444 1.567 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000580826598 322099757 /nfs/dbraw/zinc/09/97/57/322099757.db2.gz KCDODHPRAOULFI-QZTJIDSGSA-N 2 2 336.476 1.989 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000580826598 322099760 /nfs/dbraw/zinc/09/97/60/322099760.db2.gz KCDODHPRAOULFI-QZTJIDSGSA-N 2 2 336.476 1.989 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000580826598 322099762 /nfs/dbraw/zinc/09/97/62/322099762.db2.gz KCDODHPRAOULFI-QZTJIDSGSA-N 2 2 336.476 1.989 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000580826598 322099765 /nfs/dbraw/zinc/09/97/65/322099765.db2.gz KCDODHPRAOULFI-QZTJIDSGSA-N 2 2 336.476 1.989 20 0 EDADLP CSC[C@H](CCO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000580952639 322117113 /nfs/dbraw/zinc/11/71/13/322117113.db2.gz NQLQUQVHBGLMDV-LSDHHAIUSA-N 2 2 337.489 1.718 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000580971310 322119342 /nfs/dbraw/zinc/11/93/42/322119342.db2.gz BDESUSAKXTXXFU-ZBFHGGJFSA-N 2 2 349.479 1.623 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000580971310 322119343 /nfs/dbraw/zinc/11/93/43/322119343.db2.gz BDESUSAKXTXXFU-ZBFHGGJFSA-N 2 2 349.479 1.623 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(N3CCCC3)nc2)C[C@H](C)O1 ZINC000581006927 322123540 /nfs/dbraw/zinc/12/35/40/322123540.db2.gz WMGSTFGBHKWQFX-SOLBZPMBSA-N 2 2 348.491 1.242 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)nc2)C[C@H](C)O1 ZINC000581006925 322123575 /nfs/dbraw/zinc/12/35/75/322123575.db2.gz WMGSTFGBHKWQFX-JZXOWHBKSA-N 2 2 348.491 1.242 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCCc3c(F)cccc3Cl)CCN2C1=O ZINC000582014190 322245466 /nfs/dbraw/zinc/24/54/66/322245466.db2.gz KACYDOJCTVGYNK-XHDPSFHLSA-N 2 2 325.815 1.656 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCCc3c(F)cccc3Cl)CCN2C1=O ZINC000582014190 322245468 /nfs/dbraw/zinc/24/54/68/322245468.db2.gz KACYDOJCTVGYNK-XHDPSFHLSA-N 2 2 325.815 1.656 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338189737 444556283 /nfs/dbraw/zinc/55/62/83/444556283.db2.gz GSAQVLBAXYIVQI-IXDOHACOSA-N 2 2 337.508 1.961 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338189737 444556284 /nfs/dbraw/zinc/55/62/84/444556284.db2.gz GSAQVLBAXYIVQI-IXDOHACOSA-N 2 2 337.508 1.961 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343746072 444561412 /nfs/dbraw/zinc/56/14/12/444561412.db2.gz WQKLUWIHIBOECM-DOTOQJQBSA-N 2 2 325.497 1.819 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343746072 444561415 /nfs/dbraw/zinc/56/14/15/444561415.db2.gz WQKLUWIHIBOECM-DOTOQJQBSA-N 2 2 325.497 1.819 20 0 EDADLP CN(C(=O)c1ncn(C)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000329564311 444630238 /nfs/dbraw/zinc/63/02/38/444630238.db2.gz KAIUIKKJNMOCEZ-JKSUJKDBSA-N 2 2 348.495 1.224 20 0 EDADLP CN(C(=O)c1ncn(C)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000329564311 444630241 /nfs/dbraw/zinc/63/02/41/444630241.db2.gz KAIUIKKJNMOCEZ-JKSUJKDBSA-N 2 2 348.495 1.224 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338284214 444610474 /nfs/dbraw/zinc/61/04/74/444610474.db2.gz XWAXSMTVMQEJNN-IAGOWNOFSA-N 2 2 339.480 1.158 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338284214 444610477 /nfs/dbraw/zinc/61/04/77/444610477.db2.gz XWAXSMTVMQEJNN-IAGOWNOFSA-N 2 2 339.480 1.158 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332981131 444619638 /nfs/dbraw/zinc/61/96/38/444619638.db2.gz NJPXHDVICSYTTE-HUUCEWRRSA-N 2 2 328.420 1.577 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nc1 ZINC000338306839 444622771 /nfs/dbraw/zinc/62/27/71/444622771.db2.gz YNORPAAFGOZORN-GOEBONIOSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nc1 ZINC000338306839 444622776 /nfs/dbraw/zinc/62/27/76/444622776.db2.gz YNORPAAFGOZORN-GOEBONIOSA-N 2 2 347.438 1.868 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000343895898 444652538 /nfs/dbraw/zinc/65/25/38/444652538.db2.gz LFKACNLIHZGIPT-MJGOQNOKSA-N 2 2 344.503 1.655 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000343895898 444652542 /nfs/dbraw/zinc/65/25/42/444652542.db2.gz LFKACNLIHZGIPT-MJGOQNOKSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000329650114 444665783 /nfs/dbraw/zinc/66/57/83/444665783.db2.gz KJKNPMXGNSOWRU-AWEZNQCLSA-N 2 2 336.480 1.709 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000329650114 444665788 /nfs/dbraw/zinc/66/57/88/444665788.db2.gz KJKNPMXGNSOWRU-AWEZNQCLSA-N 2 2 336.480 1.709 20 0 EDADLP COc1coc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1=O ZINC000343883418 444645797 /nfs/dbraw/zinc/64/57/97/444645797.db2.gz AZGVBVAKMMVNCY-HOCLYGCPSA-N 2 2 335.448 1.106 20 0 EDADLP COc1coc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1=O ZINC000343883418 444645799 /nfs/dbraw/zinc/64/57/99/444645799.db2.gz AZGVBVAKMMVNCY-HOCLYGCPSA-N 2 2 335.448 1.106 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000343987142 444711194 /nfs/dbraw/zinc/71/11/94/444711194.db2.gz SCDAJEIEJYHVOP-DNVCBOLYSA-N 2 2 332.492 1.856 20 0 EDADLP COc1cc(C)nc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000343987142 444711200 /nfs/dbraw/zinc/71/12/00/444711200.db2.gz SCDAJEIEJYHVOP-DNVCBOLYSA-N 2 2 332.492 1.856 20 0 EDADLP COc1cc(C)nc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000343987142 444711202 /nfs/dbraw/zinc/71/12/02/444711202.db2.gz SCDAJEIEJYHVOP-DNVCBOLYSA-N 2 2 332.492 1.856 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CC(=O)Nc2ccccc21 ZINC000333897892 444712269 /nfs/dbraw/zinc/71/22/69/444712269.db2.gz YOORHSRSUUSMAF-ZBFHGGJFSA-N 2 2 342.443 1.436 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)N1CC(=O)Nc2ccccc21 ZINC000333897892 444712272 /nfs/dbraw/zinc/71/22/72/444712272.db2.gz YOORHSRSUUSMAF-ZBFHGGJFSA-N 2 2 342.443 1.436 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344035416 444742765 /nfs/dbraw/zinc/74/27/65/444742765.db2.gz SIQMELYXQLMCGY-GBESFXJTSA-N 2 2 343.471 1.034 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344035416 444742769 /nfs/dbraw/zinc/74/27/69/444742769.db2.gz SIQMELYXQLMCGY-GBESFXJTSA-N 2 2 343.471 1.034 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342580656 444754374 /nfs/dbraw/zinc/75/43/74/444754374.db2.gz FQPDMAFBEXYFDO-OWYHZJEWSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342580656 444754379 /nfs/dbraw/zinc/75/43/79/444754379.db2.gz FQPDMAFBEXYFDO-OWYHZJEWSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342580656 444754382 /nfs/dbraw/zinc/75/43/82/444754382.db2.gz FQPDMAFBEXYFDO-OWYHZJEWSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342580656 444754386 /nfs/dbraw/zinc/75/43/86/444754386.db2.gz FQPDMAFBEXYFDO-OWYHZJEWSA-N 2 2 343.471 1.629 20 0 EDADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC(=O)NCC1CC1)CC2 ZINC000338634292 444784634 /nfs/dbraw/zinc/78/46/34/444784634.db2.gz WBUAGTOOJAPVTC-HNNXBMFYSA-N 2 2 348.516 1.956 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC(=O)NCC1CC1)CC2 ZINC000338634292 444784637 /nfs/dbraw/zinc/78/46/37/444784637.db2.gz WBUAGTOOJAPVTC-HNNXBMFYSA-N 2 2 348.516 1.956 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342601774 444769288 /nfs/dbraw/zinc/76/92/88/444769288.db2.gz LCAYEWVXPNFDBI-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342601774 444769291 /nfs/dbraw/zinc/76/92/91/444769291.db2.gz LCAYEWVXPNFDBI-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@H]1CCCCO1 ZINC000342639027 444791772 /nfs/dbraw/zinc/79/17/72/444791772.db2.gz VJAQLDJGWXAJQR-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000342639027 444791773 /nfs/dbraw/zinc/79/17/73/444791773.db2.gz VJAQLDJGWXAJQR-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3COCCO3)c[nH+]c12 ZINC000344133739 444799340 /nfs/dbraw/zinc/79/93/40/444799340.db2.gz XRQCAQLUYYAPNP-CYBMUJFWSA-N 2 2 340.221 1.910 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+][C@H]3C)c[nH+]2)C[C@@H](C)O1 ZINC000342686345 444813530 /nfs/dbraw/zinc/81/35/30/444813530.db2.gz AHUGFNOPLFWKQE-PNBKFKSVSA-N 2 2 346.475 1.700 20 0 EDADLP C[C@H](C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)CS(C)(=O)=O ZINC000336872644 444817204 /nfs/dbraw/zinc/81/72/04/444817204.db2.gz QFLSDKHCUATDMJ-IKGGRYGDSA-N 2 2 345.553 1.158 20 0 EDADLP O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336878853 444826391 /nfs/dbraw/zinc/82/63/91/444826391.db2.gz JFIMNDBZYGDCJE-OAHLLOKOSA-N 2 2 334.395 1.106 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)[N@H+](C)C1 ZINC000344206230 444839124 /nfs/dbraw/zinc/83/91/24/444839124.db2.gz YRDFNWNFRJXRTQ-YOEHRIQHSA-N 2 2 346.406 1.655 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)[N@@H+](C)C1 ZINC000344206230 444839129 /nfs/dbraw/zinc/83/91/29/444839129.db2.gz YRDFNWNFRJXRTQ-YOEHRIQHSA-N 2 2 346.406 1.655 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000342819350 444878455 /nfs/dbraw/zinc/87/84/55/444878455.db2.gz ANNSABPOERLKDM-KRWDZBQOSA-N 2 2 327.428 1.952 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C(C)C ZINC000338804261 444859602 /nfs/dbraw/zinc/85/96/02/444859602.db2.gz MDIRCDHZKAGTOB-UHFFFAOYSA-N 2 2 349.479 1.448 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C(C)C ZINC000338804261 444859605 /nfs/dbraw/zinc/85/96/05/444859605.db2.gz MDIRCDHZKAGTOB-UHFFFAOYSA-N 2 2 349.479 1.448 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000341498987 444862278 /nfs/dbraw/zinc/86/22/78/444862278.db2.gz MZOQXMJLFGTIJO-BRWVUGGUSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000341498987 444862281 /nfs/dbraw/zinc/86/22/81/444862281.db2.gz MZOQXMJLFGTIJO-BRWVUGGUSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000341498987 444862284 /nfs/dbraw/zinc/86/22/84/444862284.db2.gz MZOQXMJLFGTIJO-BRWVUGGUSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000341498987 444862287 /nfs/dbraw/zinc/86/22/87/444862287.db2.gz MZOQXMJLFGTIJO-BRWVUGGUSA-N 2 2 338.496 1.079 20 0 EDADLP COC(=O)c1cn(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)nn1 ZINC000342816286 444877533 /nfs/dbraw/zinc/87/75/33/444877533.db2.gz VADBWOIIIUCBPD-UHFFFAOYSA-N 2 2 349.357 1.071 20 0 EDADLP CCCCNc1cc(N2CC[NH+](CCOC(C)C)CC2)nc(N)[nH+]1 ZINC000342815925 444877791 /nfs/dbraw/zinc/87/77/91/444877791.db2.gz FEVDEGMPYOWTPU-UHFFFAOYSA-N 2 2 336.484 1.818 20 0 EDADLP Cc1nc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000330197960 444883894 /nfs/dbraw/zinc/88/38/94/444883894.db2.gz SNXPLYVYEOVHIB-INIZCTEOSA-N 2 2 326.448 2.323 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000341586606 444909056 /nfs/dbraw/zinc/90/90/56/444909056.db2.gz LHRZPPQGDRGMDF-LTIDMASMSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000341586606 444909058 /nfs/dbraw/zinc/90/90/58/444909058.db2.gz LHRZPPQGDRGMDF-LTIDMASMSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341586606 444909061 /nfs/dbraw/zinc/90/90/61/444909061.db2.gz LHRZPPQGDRGMDF-LTIDMASMSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341586606 444909063 /nfs/dbraw/zinc/90/90/63/444909063.db2.gz LHRZPPQGDRGMDF-LTIDMASMSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000344360874 444918352 /nfs/dbraw/zinc/91/83/52/444918352.db2.gz BBSKNCLULLMWGX-UHFFFAOYSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(F)(F)F ZINC000341631775 444926643 /nfs/dbraw/zinc/92/66/43/444926643.db2.gz WSQIMUWULKSCKW-HABKJSAYSA-N 2 2 348.413 1.890 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(F)(F)F ZINC000341631775 444926647 /nfs/dbraw/zinc/92/66/47/444926647.db2.gz WSQIMUWULKSCKW-HABKJSAYSA-N 2 2 348.413 1.890 20 0 EDADLP CO[C@H](C)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000338836527 444880170 /nfs/dbraw/zinc/88/01/70/444880170.db2.gz RRTJGAWXZOUPSW-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)C[C@H](CNC(=O)N(C)Cc1[nH+]ccn1C)[NH+]1CCOCC1 ZINC000341686843 444947779 /nfs/dbraw/zinc/94/77/79/444947779.db2.gz GPHLCCXLLVRJDS-OAHLLOKOSA-N 2 2 337.468 1.308 20 0 EDADLP COc1c(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)nn1C ZINC000344521333 445031543 /nfs/dbraw/zinc/03/15/43/445031543.db2.gz GQVUOHIDUNEART-LJQANCHMSA-N 2 2 344.459 1.464 20 0 EDADLP COc1c(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)nn1C ZINC000344521333 445031548 /nfs/dbraw/zinc/03/15/48/445031548.db2.gz GQVUOHIDUNEART-LJQANCHMSA-N 2 2 344.459 1.464 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000337204264 444985033 /nfs/dbraw/zinc/98/50/33/444985033.db2.gz IRJOSGFKSRPRAF-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000337204264 444985038 /nfs/dbraw/zinc/98/50/38/444985038.db2.gz IRJOSGFKSRPRAF-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000337204264 444985045 /nfs/dbraw/zinc/98/50/45/444985045.db2.gz IRJOSGFKSRPRAF-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000337204264 444985051 /nfs/dbraw/zinc/98/50/51/444985051.db2.gz IRJOSGFKSRPRAF-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000337215274 444989425 /nfs/dbraw/zinc/98/94/25/444989425.db2.gz YGWCDEGGZLEYFM-AOIWGVFYSA-N 2 2 332.492 1.602 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000337215274 444989428 /nfs/dbraw/zinc/98/94/28/444989428.db2.gz YGWCDEGGZLEYFM-AOIWGVFYSA-N 2 2 332.492 1.602 20 0 EDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cn(C)nn2)CC1 ZINC000341804056 445009123 /nfs/dbraw/zinc/00/91/23/445009123.db2.gz YUQKQCCZAKVHJA-AWEZNQCLSA-N 2 2 346.454 1.947 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000341817958 445014895 /nfs/dbraw/zinc/01/48/95/445014895.db2.gz VJRNDIJHXFWXHH-MRXNPFEDSA-N 2 2 329.448 1.734 20 0 EDADLP CCOC(=O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000341904942 445064268 /nfs/dbraw/zinc/06/42/68/445064268.db2.gz KLGLCBWUNJJYEJ-GASCZTMLSA-N 2 2 328.453 1.140 20 0 EDADLP CCOC(=O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000341904942 445064274 /nfs/dbraw/zinc/06/42/74/445064274.db2.gz KLGLCBWUNJJYEJ-GASCZTMLSA-N 2 2 328.453 1.140 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCC[NH+]1CCC1 ZINC000337409809 445067454 /nfs/dbraw/zinc/06/74/54/445067454.db2.gz VGDSWUKGKFZLJU-UHFFFAOYSA-N 2 2 327.432 1.479 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)CC1 ZINC000339167561 445070426 /nfs/dbraw/zinc/07/04/26/445070426.db2.gz XZPAJBSLAHDGNS-UHFFFAOYSA-N 2 2 347.507 1.370 20 0 EDADLP C[NH+](C)CCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000339231720 445103188 /nfs/dbraw/zinc/10/31/88/445103188.db2.gz LUOUBOUCPVDWMY-MRXNPFEDSA-N 2 2 349.479 1.085 20 0 EDADLP C[NH+](C)CCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000339231720 445103190 /nfs/dbraw/zinc/10/31/90/445103190.db2.gz LUOUBOUCPVDWMY-MRXNPFEDSA-N 2 2 349.479 1.085 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCCCNc2cccc[nH+]2)[N@H+](C)C1 ZINC000346406519 445213764 /nfs/dbraw/zinc/21/37/64/445213764.db2.gz BPRICGBEQSEMPS-LSDHHAIUSA-N 2 2 335.452 1.244 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCCCNc2cccc[nH+]2)[N@@H+](C)C1 ZINC000346406519 445213767 /nfs/dbraw/zinc/21/37/67/445213767.db2.gz BPRICGBEQSEMPS-LSDHHAIUSA-N 2 2 335.452 1.244 20 0 EDADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccn(C)n3)CC2)C[C@H](C)O1 ZINC000343565823 445245090 /nfs/dbraw/zinc/24/50/90/445245090.db2.gz RFDPKWYSBKIPFH-HOTGVXAUSA-N 2 2 336.480 1.510 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CCOCCO ZINC000348345770 445263267 /nfs/dbraw/zinc/26/32/67/445263267.db2.gz ICFDZECIUAGUGV-ZDUSSCGKSA-N 2 2 332.404 1.344 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CCOCCO ZINC000348345770 445263270 /nfs/dbraw/zinc/26/32/70/445263270.db2.gz ICFDZECIUAGUGV-ZDUSSCGKSA-N 2 2 332.404 1.344 20 0 EDADLP COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348388124 445272792 /nfs/dbraw/zinc/27/27/92/445272792.db2.gz NDGUXGYBSKXDLK-KGLIPLIRSA-N 2 2 343.493 1.051 20 0 EDADLP COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348388124 445272795 /nfs/dbraw/zinc/27/27/95/445272795.db2.gz NDGUXGYBSKXDLK-KGLIPLIRSA-N 2 2 343.493 1.051 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC000348397649 445276450 /nfs/dbraw/zinc/27/64/50/445276450.db2.gz AFNOVJNDWYMCEA-HUUCEWRRSA-N 2 2 338.452 1.107 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC000348397649 445276454 /nfs/dbraw/zinc/27/64/54/445276454.db2.gz AFNOVJNDWYMCEA-HUUCEWRRSA-N 2 2 338.452 1.107 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCC[C@H](CO)C2)CC1 ZINC000354636806 445323344 /nfs/dbraw/zinc/32/33/44/445323344.db2.gz SPBNFYOVCDSNSF-CVEARBPZSA-N 2 2 340.512 1.110 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000351850809 445342552 /nfs/dbraw/zinc/34/25/52/445342552.db2.gz JJMOYKAACLHIES-IEBWSBKVSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000351850809 445342556 /nfs/dbraw/zinc/34/25/56/445342556.db2.gz JJMOYKAACLHIES-IEBWSBKVSA-N 3 2 344.503 1.308 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C[C@@H](C)O1 ZINC000356964175 445350925 /nfs/dbraw/zinc/35/09/25/445350925.db2.gz WPZVTSKOFWRXSD-ZJPYXAASSA-N 2 2 348.491 1.286 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C[C@@H](C)O1 ZINC000356964175 445350927 /nfs/dbraw/zinc/35/09/27/445350927.db2.gz WPZVTSKOFWRXSD-ZJPYXAASSA-N 2 2 348.491 1.286 20 0 EDADLP CCC[N@H+](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@H](C)C1 ZINC000359672454 445368298 /nfs/dbraw/zinc/36/82/98/445368298.db2.gz IFMLELZQURIADD-HUUCEWRRSA-N 2 2 339.505 1.968 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@H](C)C1 ZINC000359672454 445368301 /nfs/dbraw/zinc/36/83/01/445368301.db2.gz IFMLELZQURIADD-HUUCEWRRSA-N 2 2 339.505 1.968 20 0 EDADLP CCC[NH+](C)CC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000359672454 445368304 /nfs/dbraw/zinc/36/83/04/445368304.db2.gz IFMLELZQURIADD-HUUCEWRRSA-N 2 2 339.505 1.968 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000357074292 445409222 /nfs/dbraw/zinc/40/92/22/445409222.db2.gz FLDRWUMSIYTULP-DLBZAZTESA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000357074292 445409226 /nfs/dbraw/zinc/40/92/26/445409226.db2.gz FLDRWUMSIYTULP-DLBZAZTESA-N 2 2 343.471 1.728 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357087338 445418876 /nfs/dbraw/zinc/41/88/76/445418876.db2.gz MYSMZMDQWCMTSW-SJLPKXTDSA-N 2 2 331.460 1.381 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357087338 445418881 /nfs/dbraw/zinc/41/88/81/445418881.db2.gz MYSMZMDQWCMTSW-SJLPKXTDSA-N 2 2 331.460 1.381 20 0 EDADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1c[nH+]c[nH]1 ZINC000359702626 445383480 /nfs/dbraw/zinc/38/34/80/445383480.db2.gz ZFHKPSYQGRIAIR-UHFFFAOYSA-N 2 2 327.432 1.628 20 0 EDADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCc1c[nH]c[nH+]1 ZINC000359702626 445383483 /nfs/dbraw/zinc/38/34/83/445383483.db2.gz ZFHKPSYQGRIAIR-UHFFFAOYSA-N 2 2 327.432 1.628 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3cc(OC)c(F)cc3C2)CC1 ZINC000348816152 445399000 /nfs/dbraw/zinc/39/90/00/445399000.db2.gz YUAHEDRATRWJHG-CQSZACIVSA-N 2 2 349.450 1.745 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3cc(OC)c(F)cc3C2)CC1 ZINC000348816152 445399005 /nfs/dbraw/zinc/39/90/05/445399005.db2.gz YUAHEDRATRWJHG-CQSZACIVSA-N 2 2 349.450 1.745 20 0 EDADLP CC1CCN(C(=O)C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000362641080 445475122 /nfs/dbraw/zinc/47/51/22/445475122.db2.gz OFPIWFPBDNBQIX-QGZVFWFLSA-N 2 2 336.524 1.345 20 0 EDADLP CC1CCN(C(=O)C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000362641080 445475124 /nfs/dbraw/zinc/47/51/24/445475124.db2.gz OFPIWFPBDNBQIX-QGZVFWFLSA-N 2 2 336.524 1.345 20 0 EDADLP Cc1n[nH]c(C)c1C[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354911304 445432333 /nfs/dbraw/zinc/43/23/33/445432333.db2.gz ADBRNQRCNAJLIG-LSDHHAIUSA-N 2 2 334.443 1.804 20 0 EDADLP Cc1n[nH]c(C)c1C[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354911304 445432339 /nfs/dbraw/zinc/43/23/39/445432339.db2.gz ADBRNQRCNAJLIG-LSDHHAIUSA-N 2 2 334.443 1.804 20 0 EDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000352007251 445433159 /nfs/dbraw/zinc/43/31/59/445433159.db2.gz WZDYEZCVUMAZDA-IRXDYDNUSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000352007251 445433162 /nfs/dbraw/zinc/43/31/62/445433162.db2.gz WZDYEZCVUMAZDA-IRXDYDNUSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000352007251 445433166 /nfs/dbraw/zinc/43/31/66/445433166.db2.gz WZDYEZCVUMAZDA-IRXDYDNUSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000352007251 445433169 /nfs/dbraw/zinc/43/31/69/445433169.db2.gz WZDYEZCVUMAZDA-IRXDYDNUSA-N 2 2 344.503 1.599 20 0 EDADLP CN1CC[NH+](CC2CC[NH+](Cc3ccn(C(F)F)n3)CC2)CC1 ZINC000349036038 445483643 /nfs/dbraw/zinc/48/36/43/445483643.db2.gz LUVOAVIKIYYFSN-UHFFFAOYSA-N 2 2 327.423 1.738 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000360020177 445532454 /nfs/dbraw/zinc/53/24/54/445532454.db2.gz ZQMLWVYJPARDIH-UHFFFAOYSA-N 2 2 329.404 1.661 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CCO)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000355925218 445532916 /nfs/dbraw/zinc/53/29/16/445532916.db2.gz ADBIQSALKOEZKR-WMZOPIPTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CCO)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000355925218 445532918 /nfs/dbraw/zinc/53/29/18/445532918.db2.gz ADBIQSALKOEZKR-WMZOPIPTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000355925218 445532920 /nfs/dbraw/zinc/53/29/20/445532920.db2.gz ADBIQSALKOEZKR-WMZOPIPTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000355925218 445532923 /nfs/dbraw/zinc/53/29/23/445532923.db2.gz ADBIQSALKOEZKR-WMZOPIPTSA-N 2 2 333.476 1.422 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@H](F)C[C@H]1CNc1cc[nH+]c(N(C)C)n1 ZINC000357461959 445560715 /nfs/dbraw/zinc/56/07/15/445560715.db2.gz STIVILSHCHUZGX-KGLIPLIRSA-N 2 2 348.426 2.172 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@H](F)C[C@H]1CNc1cc[nH+]c(N(C)C)n1 ZINC000357461959 445560719 /nfs/dbraw/zinc/56/07/19/445560719.db2.gz STIVILSHCHUZGX-KGLIPLIRSA-N 2 2 348.426 2.172 20 0 EDADLP COc1ccc(OCCC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362825070 445566513 /nfs/dbraw/zinc/56/65/13/445566513.db2.gz FCQRKSYHYZDBKP-MRXNPFEDSA-N 2 2 347.459 1.360 20 0 EDADLP COc1ccc(OCCC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362825070 445566516 /nfs/dbraw/zinc/56/65/16/445566516.db2.gz FCQRKSYHYZDBKP-MRXNPFEDSA-N 2 2 347.459 1.360 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cn21 ZINC000362825443 445567274 /nfs/dbraw/zinc/56/72/74/445567274.db2.gz HNPJHAPHTJJUML-INIZCTEOSA-N 2 2 327.432 1.039 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cn21 ZINC000362825443 445567275 /nfs/dbraw/zinc/56/72/75/445567275.db2.gz HNPJHAPHTJJUML-INIZCTEOSA-N 2 2 327.432 1.039 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000358108482 445605025 /nfs/dbraw/zinc/60/50/25/445605025.db2.gz IYXNPDMEIYPPGY-AWEZNQCLSA-N 2 2 335.452 1.311 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000356087073 445612328 /nfs/dbraw/zinc/61/23/28/445612328.db2.gz CFLAKVIDJWTHPX-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000356087073 445612331 /nfs/dbraw/zinc/61/23/31/445612331.db2.gz CFLAKVIDJWTHPX-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000353464511 445613682 /nfs/dbraw/zinc/61/36/82/445613682.db2.gz YESSRZVIRJIEHQ-RDJZCZTQSA-N 2 2 333.480 1.069 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1(O)CCC1 ZINC000353468280 445615130 /nfs/dbraw/zinc/61/51/30/445615130.db2.gz ODKGAPHCWQBDDE-UHFFFAOYSA-N 2 2 347.459 1.304 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1(O)CCC1 ZINC000353468280 445615133 /nfs/dbraw/zinc/61/51/33/445615133.db2.gz ODKGAPHCWQBDDE-UHFFFAOYSA-N 2 2 347.459 1.304 20 0 EDADLP Cn1nccc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000353489455 445625578 /nfs/dbraw/zinc/62/55/78/445625578.db2.gz BTAUKIRGYFETDO-UHFFFAOYSA-N 2 2 343.475 1.683 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353498619 445629838 /nfs/dbraw/zinc/62/98/38/445629838.db2.gz APNJOHHMVJVTMN-ZFWWWQNUSA-N 2 2 333.432 1.779 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353498619 445629842 /nfs/dbraw/zinc/62/98/42/445629842.db2.gz APNJOHHMVJVTMN-ZFWWWQNUSA-N 2 2 333.432 1.779 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)CCc3[nH]cc[nH+]3)CCCC2)CC1 ZINC000353429370 445597474 /nfs/dbraw/zinc/59/74/74/445597474.db2.gz GDLCTQPCOSEBMO-UHFFFAOYSA-N 2 2 334.464 1.882 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000349714280 445652891 /nfs/dbraw/zinc/65/28/91/445652891.db2.gz MDFWIPCMSWRPCQ-MRXNPFEDSA-N 2 2 328.501 1.471 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000349714280 445652893 /nfs/dbraw/zinc/65/28/93/445652893.db2.gz MDFWIPCMSWRPCQ-MRXNPFEDSA-N 2 2 328.501 1.471 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000353581377 445665269 /nfs/dbraw/zinc/66/52/69/445665269.db2.gz LDXREORPVGLWEV-ZMSDIMECSA-N 2 2 331.468 1.463 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000353581377 445665275 /nfs/dbraw/zinc/66/52/75/445665275.db2.gz LDXREORPVGLWEV-ZMSDIMECSA-N 2 2 331.468 1.463 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000360266165 445666619 /nfs/dbraw/zinc/66/66/19/445666619.db2.gz HYUDLHGYLFMKTJ-UHFFFAOYSA-N 2 2 342.528 1.861 20 0 EDADLP CC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363100537 445677758 /nfs/dbraw/zinc/67/77/58/445677758.db2.gz HRXJOKKGDJIFNQ-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363100537 445677760 /nfs/dbraw/zinc/67/77/60/445677760.db2.gz HRXJOKKGDJIFNQ-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363100537 445677762 /nfs/dbraw/zinc/67/77/62/445677762.db2.gz HRXJOKKGDJIFNQ-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H]1CCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363100537 445677764 /nfs/dbraw/zinc/67/77/64/445677764.db2.gz HRXJOKKGDJIFNQ-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H]1CN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)[NH+]1C ZINC000358676212 445709976 /nfs/dbraw/zinc/70/99/76/445709976.db2.gz JGKKCGNBDXJAEZ-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000353693421 445710891 /nfs/dbraw/zinc/71/08/91/445710891.db2.gz XHBPLTKNKLSJCP-UHFFFAOYSA-N 2 2 327.310 1.836 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1CCOCC1 ZINC000358688371 445717200 /nfs/dbraw/zinc/71/72/00/445717200.db2.gz USMXKXRZVQRGEO-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1CCOCC1 ZINC000358688371 445717204 /nfs/dbraw/zinc/71/72/04/445717204.db2.gz USMXKXRZVQRGEO-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP CC(=O)N(c1nc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cs1)C1CC1 ZINC000363218913 445726474 /nfs/dbraw/zinc/72/64/74/445726474.db2.gz NCWWUJIMSGIODE-GFCCVEGCSA-N 2 2 331.445 1.960 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)N1CCc2ccccc2C1 ZINC000363256288 445742510 /nfs/dbraw/zinc/74/25/10/445742510.db2.gz JCOVVXUHWUBZTA-AABGKKOBSA-N 2 2 339.483 1.987 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)N1CCc2ccccc2C1 ZINC000363256288 445742513 /nfs/dbraw/zinc/74/25/13/445742513.db2.gz JCOVVXUHWUBZTA-AABGKKOBSA-N 2 2 339.483 1.987 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)N1CCc2ccccc2C1 ZINC000363256288 445742517 /nfs/dbraw/zinc/74/25/17/445742517.db2.gz JCOVVXUHWUBZTA-AABGKKOBSA-N 2 2 339.483 1.987 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)N1CCc2ccccc2C1 ZINC000363256288 445742521 /nfs/dbraw/zinc/74/25/21/445742521.db2.gz JCOVVXUHWUBZTA-AABGKKOBSA-N 2 2 339.483 1.987 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000353805315 445765064 /nfs/dbraw/zinc/76/50/64/445765064.db2.gz DFOFWGSDVDOCDW-CVEARBPZSA-N 2 2 336.505 1.812 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000353805315 445765066 /nfs/dbraw/zinc/76/50/66/445765066.db2.gz DFOFWGSDVDOCDW-CVEARBPZSA-N 2 2 336.505 1.812 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000358810789 445787726 /nfs/dbraw/zinc/78/77/26/445787726.db2.gz WTBOSKACRQYCNX-GOSISDBHSA-N 2 2 341.496 1.406 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)C2 ZINC000356443636 445792379 /nfs/dbraw/zinc/79/23/79/445792379.db2.gz GCBZBBOOYKSSEM-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000356443636 445792383 /nfs/dbraw/zinc/79/23/83/445792383.db2.gz GCBZBBOOYKSSEM-LSDHHAIUSA-N 2 2 348.491 1.601 20 0 EDADLP O=C(C[N@@H+]1CCCOCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000363436741 445801726 /nfs/dbraw/zinc/80/17/26/445801726.db2.gz OBMODARBHAKTMF-UHFFFAOYSA-N 2 2 333.432 1.180 20 0 EDADLP O=C(C[N@H+]1CCCOCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000363436741 445801731 /nfs/dbraw/zinc/80/17/31/445801731.db2.gz OBMODARBHAKTMF-UHFFFAOYSA-N 2 2 333.432 1.180 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000363448933 445807998 /nfs/dbraw/zinc/80/79/98/445807998.db2.gz HZKHVRBORYSGCN-IAGOWNOFSA-N 2 2 332.448 1.759 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc[nH+]1 ZINC000353973901 445835358 /nfs/dbraw/zinc/83/53/58/445835358.db2.gz HAFGHJZCKJLSES-HNNXBMFYSA-N 2 2 327.432 1.592 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000350487805 445837060 /nfs/dbraw/zinc/83/70/60/445837060.db2.gz SPLZBUDSBSSDJN-SFHVURJKSA-N 2 2 342.487 1.401 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000350487805 445837065 /nfs/dbraw/zinc/83/70/65/445837065.db2.gz SPLZBUDSBSSDJN-SFHVURJKSA-N 2 2 342.487 1.401 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c(N3CCCCC3)n2)C[C@H](C)O1 ZINC000354075596 445888000 /nfs/dbraw/zinc/88/80/00/445888000.db2.gz MMVIZGXIDYLUKA-IYBDPMFKSA-N 2 2 333.480 2.378 20 0 EDADLP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c(N3CCCCC3)n2)C[C@H](C)O1 ZINC000354075596 445888006 /nfs/dbraw/zinc/88/80/06/445888006.db2.gz MMVIZGXIDYLUKA-IYBDPMFKSA-N 2 2 333.480 2.378 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)CC[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354018305 445857914 /nfs/dbraw/zinc/85/79/14/445857914.db2.gz FIKUPJJPXBDHJU-NCOADZHNSA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)CC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354018305 445857917 /nfs/dbraw/zinc/85/79/17/445857917.db2.gz FIKUPJJPXBDHJU-NCOADZHNSA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354018305 445857918 /nfs/dbraw/zinc/85/79/18/445857918.db2.gz FIKUPJJPXBDHJU-NCOADZHNSA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354018305 445857921 /nfs/dbraw/zinc/85/79/21/445857921.db2.gz FIKUPJJPXBDHJU-NCOADZHNSA-N 2 2 325.497 1.673 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCS1 ZINC000350660398 445874214 /nfs/dbraw/zinc/87/42/14/445874214.db2.gz NTDQZVQEHGPCCF-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCS1 ZINC000350660398 445874218 /nfs/dbraw/zinc/87/42/18/445874218.db2.gz NTDQZVQEHGPCCF-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)c1ccccc1 ZINC000372978518 445956448 /nfs/dbraw/zinc/95/64/48/445956448.db2.gz MBTZWFUVCFSKTF-KRWDZBQOSA-N 2 2 331.460 1.660 20 0 EDADLP CCCCCC[C@@H](O)C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372988566 445962414 /nfs/dbraw/zinc/96/24/14/445962414.db2.gz CMHAEMCZRCZBAE-QZTJIDSGSA-N 2 2 327.513 1.266 20 0 EDADLP CCCCCC[C@@H](O)C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372988566 445962417 /nfs/dbraw/zinc/96/24/17/445962417.db2.gz CMHAEMCZRCZBAE-QZTJIDSGSA-N 2 2 327.513 1.266 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000372989840 445963890 /nfs/dbraw/zinc/96/38/90/445963890.db2.gz MVLAFEQKLCBMLH-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000372989840 445963894 /nfs/dbraw/zinc/96/38/94/445963894.db2.gz MVLAFEQKLCBMLH-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000364962952 445971091 /nfs/dbraw/zinc/97/10/91/445971091.db2.gz MHJDXUQTGFEFSG-SJORKVTESA-N 2 2 328.522 1.865 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000364962952 445971093 /nfs/dbraw/zinc/97/10/93/445971093.db2.gz MHJDXUQTGFEFSG-SJORKVTESA-N 2 2 328.522 1.865 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1N(C)C ZINC000365046487 445991464 /nfs/dbraw/zinc/99/14/64/445991464.db2.gz LPNVVYDTSKXZMN-QZTJIDSGSA-N 2 2 346.519 1.810 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000354147092 445945627 /nfs/dbraw/zinc/94/56/27/445945627.db2.gz REAUBULRNIXWDH-YJBOKZPZSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000354147092 445945635 /nfs/dbraw/zinc/94/56/35/445945635.db2.gz REAUBULRNIXWDH-YJBOKZPZSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000354147092 445945641 /nfs/dbraw/zinc/94/56/41/445945641.db2.gz REAUBULRNIXWDH-YJBOKZPZSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000354147092 445945645 /nfs/dbraw/zinc/94/56/45/445945645.db2.gz REAUBULRNIXWDH-YJBOKZPZSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3ncc4ccccc43)C2)CC1 ZINC000369270162 446035478 /nfs/dbraw/zinc/03/54/78/446035478.db2.gz ZCAQKXFTUMISGE-MRXNPFEDSA-N 2 2 341.459 1.321 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3ncc4ccccc43)C2)CC1 ZINC000369270162 446035481 /nfs/dbraw/zinc/03/54/81/446035481.db2.gz ZCAQKXFTUMISGE-MRXNPFEDSA-N 2 2 341.459 1.321 20 0 EDADLP CC1CCC([NH+]2CCN(C(=O)C(=O)N(C)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000583576287 326099314 /nfs/dbraw/zinc/09/93/14/326099314.db2.gz KKBPWFVJNYBGJD-UHFFFAOYSA-N 2 2 347.463 1.091 20 0 EDADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583614841 326104708 /nfs/dbraw/zinc/10/47/08/326104708.db2.gz ICMDMNIPLCBSND-ZDUSSCGKSA-N 2 2 344.431 1.573 20 0 EDADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000583630098 326107999 /nfs/dbraw/zinc/10/79/99/326107999.db2.gz HMDHYHJCQQTABE-HUUCEWRRSA-N 2 2 341.377 1.904 20 0 EDADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000583630098 326108001 /nfs/dbraw/zinc/10/80/01/326108001.db2.gz HMDHYHJCQQTABE-HUUCEWRRSA-N 2 2 341.377 1.904 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000583688545 326118295 /nfs/dbraw/zinc/11/82/95/326118295.db2.gz OKVUPECQAIEDIU-LSDHHAIUSA-N 2 2 342.867 1.780 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000583688545 326118297 /nfs/dbraw/zinc/11/82/97/326118297.db2.gz OKVUPECQAIEDIU-LSDHHAIUSA-N 2 2 342.867 1.780 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000583692981 326120378 /nfs/dbraw/zinc/12/03/78/326120378.db2.gz SGKNTFCVJZJRES-MJGOQNOKSA-N 2 2 349.450 1.438 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000583692981 326120381 /nfs/dbraw/zinc/12/03/81/326120381.db2.gz SGKNTFCVJZJRES-MJGOQNOKSA-N 2 2 349.450 1.438 20 0 EDADLP CO[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000359225512 446055126 /nfs/dbraw/zinc/05/51/26/446055126.db2.gz LXBHLEKTYHHWED-MSOLQXFVSA-N 2 2 347.459 1.097 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366167411 446055288 /nfs/dbraw/zinc/05/52/88/446055288.db2.gz DYUQJGJMIBKMBT-QGZVFWFLSA-N 2 2 338.496 1.413 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366167411 446055298 /nfs/dbraw/zinc/05/52/98/446055298.db2.gz DYUQJGJMIBKMBT-QGZVFWFLSA-N 2 2 338.496 1.413 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000583972841 326174750 /nfs/dbraw/zinc/17/47/50/326174750.db2.gz DGXBJCLHBNOFMK-DLBZAZTESA-N 2 2 345.443 1.796 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000583972841 326174751 /nfs/dbraw/zinc/17/47/51/326174751.db2.gz DGXBJCLHBNOFMK-DLBZAZTESA-N 2 2 345.443 1.796 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccn([C@H]3CCC[NH2+]C3)n1)CCC2 ZINC000365162944 446063342 /nfs/dbraw/zinc/06/33/42/446063342.db2.gz SFHFEPLJLKCBAH-CABCVRRESA-N 2 2 342.447 1.620 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000354352595 446135416 /nfs/dbraw/zinc/13/54/16/446135416.db2.gz QQFVTBIVYRRUNJ-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000354352595 446135422 /nfs/dbraw/zinc/13/54/22/446135422.db2.gz QQFVTBIVYRRUNJ-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000354352595 446135428 /nfs/dbraw/zinc/13/54/28/446135428.db2.gz QQFVTBIVYRRUNJ-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000354352595 446135432 /nfs/dbraw/zinc/13/54/32/446135432.db2.gz QQFVTBIVYRRUNJ-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(S(N)(=O)=O)c1 ZINC000359273549 446110013 /nfs/dbraw/zinc/11/00/13/446110013.db2.gz MYNZWKCWZIMXEE-CYBMUJFWSA-N 2 2 344.440 1.875 20 0 EDADLP CCNC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000356908419 446115040 /nfs/dbraw/zinc/11/50/40/446115040.db2.gz XOGCMMFYUBTEEK-CYBMUJFWSA-N 2 2 336.402 1.797 20 0 EDADLP CCOC(=O)C1(C)CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000354335203 446120310 /nfs/dbraw/zinc/12/03/10/446120310.db2.gz QKTMQCUKKWDRBM-CSLYMUCUSA-N 2 2 339.480 1.428 20 0 EDADLP CCOC(=O)C1(C)CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000354335203 446120318 /nfs/dbraw/zinc/12/03/18/446120318.db2.gz QKTMQCUKKWDRBM-CSLYMUCUSA-N 2 2 339.480 1.428 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000351563479 446160984 /nfs/dbraw/zinc/16/09/84/446160984.db2.gz KTIACGZNAFOFDX-INIZCTEOSA-N 2 2 346.475 1.912 20 0 EDADLP CS[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH+]1CCCC1 ZINC000362030324 446167217 /nfs/dbraw/zinc/16/72/17/446167217.db2.gz WADXJGDGNYVAIE-VVLHAWIVSA-N 2 2 325.522 1.361 20 0 EDADLP CS[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH+]1CCCC1 ZINC000362030324 446167219 /nfs/dbraw/zinc/16/72/19/446167219.db2.gz WADXJGDGNYVAIE-VVLHAWIVSA-N 2 2 325.522 1.361 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@]23CCOC3)([NH+]2CCCCC2)CC1 ZINC000359332119 446155780 /nfs/dbraw/zinc/15/57/80/446155780.db2.gz OAZXJGOVPHKBOR-AEFFLSMTSA-N 2 2 335.492 1.480 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000366423533 446207010 /nfs/dbraw/zinc/20/70/10/446207010.db2.gz XENZWEIQWOQVOZ-RDJZCZTQSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000366423533 446207015 /nfs/dbraw/zinc/20/70/15/446207015.db2.gz XENZWEIQWOQVOZ-RDJZCZTQSA-N 2 2 346.475 1.547 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C[N@@H+]1C1CC1 ZINC000359418105 446211539 /nfs/dbraw/zinc/21/15/39/446211539.db2.gz YISANJVAVKJQCX-CABCVRRESA-N 2 2 348.491 1.846 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C[N@H+]1C1CC1 ZINC000359418105 446211546 /nfs/dbraw/zinc/21/15/46/446211546.db2.gz YISANJVAVKJQCX-CABCVRRESA-N 2 2 348.491 1.846 20 0 EDADLP c1nc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc(N2CCCC2)[nH+]1 ZINC000365450219 446211676 /nfs/dbraw/zinc/21/16/76/446211676.db2.gz HRYOBYUXCPLDTK-CVEARBPZSA-N 2 2 331.464 1.990 20 0 EDADLP c1nc(N2CCCC2)cc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)[nH+]1 ZINC000365450219 446211681 /nfs/dbraw/zinc/21/16/81/446211681.db2.gz HRYOBYUXCPLDTK-CVEARBPZSA-N 2 2 331.464 1.990 20 0 EDADLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cnc4cnccn34)CCC[N@@H+]2C)cn1 ZINC000362154530 446239547 /nfs/dbraw/zinc/23/95/47/446239547.db2.gz IQDOMSNZVTWINX-KSSFIOAISA-N 2 2 339.447 1.636 20 0 EDADLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cnc4cnccn34)CCC[N@H+]2C)cn1 ZINC000362154530 446239551 /nfs/dbraw/zinc/23/95/51/446239551.db2.gz IQDOMSNZVTWINX-KSSFIOAISA-N 2 2 339.447 1.636 20 0 EDADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)c1ccco1 ZINC000359566479 446294924 /nfs/dbraw/zinc/29/49/24/446294924.db2.gz VRQVPQACCQKXMR-HUUCEWRRSA-N 2 2 337.464 1.936 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000366559800 446261690 /nfs/dbraw/zinc/26/16/90/446261690.db2.gz ZUJQZDXSNSPZKP-CQSZACIVSA-N 2 2 348.447 1.485 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000366559800 446261693 /nfs/dbraw/zinc/26/16/93/446261693.db2.gz ZUJQZDXSNSPZKP-CQSZACIVSA-N 2 2 348.447 1.485 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366582617 446268205 /nfs/dbraw/zinc/26/82/05/446268205.db2.gz LMEPSXDVLKZPFJ-MRXNPFEDSA-N 2 2 342.443 1.714 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000365648135 446286141 /nfs/dbraw/zinc/28/61/41/446286141.db2.gz HRYKYXMZASKBEW-CQSZACIVSA-N 2 2 341.415 1.948 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000365648135 446286143 /nfs/dbraw/zinc/28/61/43/446286143.db2.gz HRYKYXMZASKBEW-CQSZACIVSA-N 2 2 341.415 1.948 20 0 EDADLP CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000366644708 446291970 /nfs/dbraw/zinc/29/19/70/446291970.db2.gz ROPBXBBAOJSQMG-MCPYQZEQSA-N 2 2 347.459 1.302 20 0 EDADLP CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000366644708 446291977 /nfs/dbraw/zinc/29/19/77/446291977.db2.gz ROPBXBBAOJSQMG-MCPYQZEQSA-N 2 2 347.459 1.302 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)CC[NH+]2CCCC2)C1 ZINC000373681407 446301423 /nfs/dbraw/zinc/30/14/23/446301423.db2.gz LXSNHZVLFSKISC-AWEZNQCLSA-N 2 2 326.466 1.025 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C2 ZINC000362293187 446309139 /nfs/dbraw/zinc/30/91/39/446309139.db2.gz JBBXVZPWFFALNA-OCCSQVGLSA-N 2 2 334.445 1.505 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)N(C)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000373775264 446332777 /nfs/dbraw/zinc/33/27/77/446332777.db2.gz MJITYVJMXCGIII-HNNXBMFYSA-N 2 2 333.480 1.204 20 0 EDADLP Cc1[nH+]c(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c2n1CCCC2 ZINC000376153399 446357852 /nfs/dbraw/zinc/35/78/52/446357852.db2.gz YOZRWUAVICCBNA-UONOGXRCSA-N 2 2 349.479 1.436 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417660201 446368101 /nfs/dbraw/zinc/36/81/01/446368101.db2.gz MQEIOPASDKNTJM-BXUZGUMPSA-N 2 2 328.407 1.865 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000417891144 446376518 /nfs/dbraw/zinc/37/65/18/446376518.db2.gz QNVSZEHYHHMPIH-UONOGXRCSA-N 2 2 332.439 1.508 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000417891144 446376519 /nfs/dbraw/zinc/37/65/19/446376519.db2.gz QNVSZEHYHHMPIH-UONOGXRCSA-N 2 2 332.439 1.508 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951675 446396784 /nfs/dbraw/zinc/39/67/84/446396784.db2.gz YZVZRFABHKTTAF-OWYVNGRQSA-N 2 2 328.819 1.871 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951675 446396788 /nfs/dbraw/zinc/39/67/88/446396788.db2.gz YZVZRFABHKTTAF-OWYVNGRQSA-N 2 2 328.819 1.871 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NC[C@H]2C[NH2+]CCCO2)[nH+]cn1 ZINC000420262680 446438048 /nfs/dbraw/zinc/43/80/48/446438048.db2.gz BAYXFMLJQJFMBM-VKJFTORMSA-N 2 2 349.479 1.883 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NC[C@H]2C[NH2+]CCCO2)nc[nH+]1 ZINC000420262680 446438056 /nfs/dbraw/zinc/43/80/56/446438056.db2.gz BAYXFMLJQJFMBM-VKJFTORMSA-N 2 2 349.479 1.883 20 0 EDADLP COCCCn1nccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000366977447 446440171 /nfs/dbraw/zinc/44/01/71/446440171.db2.gz TZZGRJSWTGZQPI-UHFFFAOYSA-N 2 2 326.404 1.790 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@H]1C[NH2+]CCN1C ZINC000420267488 446440343 /nfs/dbraw/zinc/44/03/43/446440343.db2.gz GUWNDPOQXFDGON-CYBMUJFWSA-N 2 2 328.416 1.149 20 0 EDADLP CCNc1nc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000420271717 446443531 /nfs/dbraw/zinc/44/35/31/446443531.db2.gz KLUBYJBBSWYZDW-KGLIPLIRSA-N 2 2 347.511 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420271717 446443540 /nfs/dbraw/zinc/44/35/40/446443540.db2.gz KLUBYJBBSWYZDW-KGLIPLIRSA-N 2 2 347.511 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420271717 446443548 /nfs/dbraw/zinc/44/35/48/446443548.db2.gz KLUBYJBBSWYZDW-KGLIPLIRSA-N 2 2 347.511 1.762 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000420295099 446457386 /nfs/dbraw/zinc/45/73/86/446457386.db2.gz UUPRPZSVJMYFBV-DZGCQCFKSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000420295099 446457391 /nfs/dbraw/zinc/45/73/91/446457391.db2.gz UUPRPZSVJMYFBV-DZGCQCFKSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420300674 446463802 /nfs/dbraw/zinc/46/38/02/446463802.db2.gz CYWQAJRNVOZFJX-NUEKZKHPSA-N 2 2 345.443 1.861 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420300674 446463806 /nfs/dbraw/zinc/46/38/06/446463806.db2.gz CYWQAJRNVOZFJX-NUEKZKHPSA-N 2 2 345.443 1.861 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000418237852 446468271 /nfs/dbraw/zinc/46/82/71/446468271.db2.gz NLUHULZOQOYLEE-HNNXBMFYSA-N 2 2 327.432 1.828 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000418237852 446468278 /nfs/dbraw/zinc/46/82/78/446468278.db2.gz NLUHULZOQOYLEE-HNNXBMFYSA-N 2 2 327.432 1.828 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420314269 446477407 /nfs/dbraw/zinc/47/74/07/446477407.db2.gz VKVIDDPOQGYOHE-ZNMIVQPWSA-N 2 2 331.416 1.389 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420314269 446477413 /nfs/dbraw/zinc/47/74/13/446477413.db2.gz VKVIDDPOQGYOHE-ZNMIVQPWSA-N 2 2 331.416 1.389 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420315486 446481771 /nfs/dbraw/zinc/48/17/71/446481771.db2.gz RNRRMXOBJSYIDG-MRXNPFEDSA-N 2 2 347.459 1.657 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420315486 446481775 /nfs/dbraw/zinc/48/17/75/446481775.db2.gz RNRRMXOBJSYIDG-MRXNPFEDSA-N 2 2 347.459 1.657 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cscn1 ZINC000423301050 446477964 /nfs/dbraw/zinc/47/79/64/446477964.db2.gz FFJOHRHTSASLMH-GOEBONIOSA-N 2 2 346.456 1.160 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cscn1 ZINC000423301050 446477977 /nfs/dbraw/zinc/47/79/77/446477977.db2.gz FFJOHRHTSASLMH-GOEBONIOSA-N 2 2 346.456 1.160 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423333722 446493483 /nfs/dbraw/zinc/49/34/83/446493483.db2.gz OGCUBMDKWMEHLX-NXHRZFHOSA-N 2 2 329.448 1.801 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(C)[nH+]1 ZINC000411358916 446504430 /nfs/dbraw/zinc/50/44/30/446504430.db2.gz QKDNPQFUELTMJS-HUUCEWRRSA-N 2 2 330.432 1.498 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c(C)[nH+]1 ZINC000411358916 446504434 /nfs/dbraw/zinc/50/44/34/446504434.db2.gz QKDNPQFUELTMJS-HUUCEWRRSA-N 2 2 330.432 1.498 20 0 EDADLP C[NH2+]CCN(C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000420338175 446507053 /nfs/dbraw/zinc/50/70/53/446507053.db2.gz NLFPBFNOJXPIAJ-UHFFFAOYSA-N 2 2 338.883 1.135 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCC2)CCO1 ZINC000432806587 446507888 /nfs/dbraw/zinc/50/78/88/446507888.db2.gz POHQAFAYEGLSCB-GOEBONIOSA-N 2 2 335.452 1.425 20 0 EDADLP CCc1nc(N2C[C@@H](O)[C@@H]([N@H+](CC)Cc3nnc(C)o3)C2)cc(C)[nH+]1 ZINC000376462312 446511238 /nfs/dbraw/zinc/51/12/38/446511238.db2.gz PBAPEUWBGBCPNR-UONOGXRCSA-N 2 2 346.435 1.110 20 0 EDADLP CCc1nc(N2C[C@@H](O)[C@@H]([N@@H+](CC)Cc3nnc(C)o3)C2)cc(C)[nH+]1 ZINC000376462312 446511254 /nfs/dbraw/zinc/51/12/54/446511254.db2.gz PBAPEUWBGBCPNR-UONOGXRCSA-N 2 2 346.435 1.110 20 0 EDADLP CC[NH2+]CCNC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000418327528 446500783 /nfs/dbraw/zinc/50/07/83/446500783.db2.gz QJZLRNRKTMOQOT-MRXNPFEDSA-N 2 2 348.491 1.911 20 0 EDADLP CC[NH2+]CCNC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000418327528 446500789 /nfs/dbraw/zinc/50/07/89/446500789.db2.gz QJZLRNRKTMOQOT-MRXNPFEDSA-N 2 2 348.491 1.911 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000433348197 446559392 /nfs/dbraw/zinc/55/93/92/446559392.db2.gz SUZGIPAASDHNMF-DOTOQJQBSA-N 2 2 347.463 1.591 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000433348197 446559397 /nfs/dbraw/zinc/55/93/97/446559397.db2.gz SUZGIPAASDHNMF-DOTOQJQBSA-N 2 2 347.463 1.591 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)c(C)[nH+]1 ZINC000411475655 446560937 /nfs/dbraw/zinc/56/09/37/446560937.db2.gz STAIMEDTOAJBLH-UHFFFAOYSA-N 2 2 344.459 1.936 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)CC2 ZINC000423532101 446564139 /nfs/dbraw/zinc/56/41/39/446564139.db2.gz QXQIYJHPYPJJDU-ZFWWWQNUSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)CC2 ZINC000423532101 446564144 /nfs/dbraw/zinc/56/41/44/446564144.db2.gz QXQIYJHPYPJJDU-ZFWWWQNUSA-N 2 2 347.459 1.258 20 0 EDADLP CC(C)C[C@H](NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000420388960 446564861 /nfs/dbraw/zinc/56/48/61/446564861.db2.gz LTXMAPZOCSXJKC-MSOLQXFVSA-N 2 2 333.476 1.940 20 0 EDADLP CC(C)C[C@H](NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000420388960 446564868 /nfs/dbraw/zinc/56/48/68/446564868.db2.gz LTXMAPZOCSXJKC-MSOLQXFVSA-N 2 2 333.476 1.940 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000433377422 446565507 /nfs/dbraw/zinc/56/55/07/446565507.db2.gz VTLGUXTWADJFBX-KSZLIROESA-N 2 2 346.475 1.254 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000433377422 446565514 /nfs/dbraw/zinc/56/55/14/446565514.db2.gz VTLGUXTWADJFBX-KSZLIROESA-N 2 2 346.475 1.254 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000433377422 446565527 /nfs/dbraw/zinc/56/55/27/446565527.db2.gz VTLGUXTWADJFBX-KSZLIROESA-N 2 2 346.475 1.254 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000433377422 446565534 /nfs/dbraw/zinc/56/55/34/446565534.db2.gz VTLGUXTWADJFBX-KSZLIROESA-N 2 2 346.475 1.254 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000411395777 446517493 /nfs/dbraw/zinc/51/74/93/446517493.db2.gz DSDRFJHPTVXPJA-IAGOWNOFSA-N 2 2 345.491 1.723 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418375471 446519951 /nfs/dbraw/zinc/51/99/51/446519951.db2.gz UBSFCXNOJFBMEN-KSZLIROESA-N 2 2 344.459 1.033 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418375471 446519955 /nfs/dbraw/zinc/51/99/55/446519955.db2.gz UBSFCXNOJFBMEN-KSZLIROESA-N 2 2 344.459 1.033 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000418391713 446525878 /nfs/dbraw/zinc/52/58/78/446525878.db2.gz CNIDEOBEGXSZQB-INIZCTEOSA-N 2 2 336.867 1.905 20 0 EDADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350619 446528060 /nfs/dbraw/zinc/52/80/60/446528060.db2.gz HKFBTNZHWBKQLY-BXKDBHETSA-N 2 2 330.226 1.028 20 0 EDADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350619 446528066 /nfs/dbraw/zinc/52/80/66/446528066.db2.gz HKFBTNZHWBKQLY-BXKDBHETSA-N 2 2 330.226 1.028 20 0 EDADLP C[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C[C@@H](O)C[NH3+] ZINC000420350723 446528362 /nfs/dbraw/zinc/52/83/62/446528362.db2.gz HZCURWVCYQWUTF-HNNXBMFYSA-N 2 2 325.428 1.204 20 0 EDADLP C[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C[C@@H](O)C[NH3+] ZINC000420350723 446528369 /nfs/dbraw/zinc/52/83/69/446528369.db2.gz HZCURWVCYQWUTF-HNNXBMFYSA-N 2 2 325.428 1.204 20 0 EDADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420351355 446530450 /nfs/dbraw/zinc/53/04/50/446530450.db2.gz WQEDEXOCTXTFHY-KDOFPFPSSA-N 2 2 344.459 1.196 20 0 EDADLP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420351355 446530453 /nfs/dbraw/zinc/53/04/53/446530453.db2.gz WQEDEXOCTXTFHY-KDOFPFPSSA-N 2 2 344.459 1.196 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420357901 446537557 /nfs/dbraw/zinc/53/75/57/446537557.db2.gz ICAONIXBZXEGSI-KRWDZBQOSA-N 2 2 348.491 1.420 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000411429223 446538196 /nfs/dbraw/zinc/53/81/96/446538196.db2.gz UCMYKQZOANZQCG-UHFFFAOYSA-N 2 2 329.404 1.333 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000411429223 446538200 /nfs/dbraw/zinc/53/82/00/446538200.db2.gz UCMYKQZOANZQCG-UHFFFAOYSA-N 2 2 329.404 1.333 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000420358670 446539399 /nfs/dbraw/zinc/53/93/99/446539399.db2.gz IWRWTDHCPUBQJC-HNNXBMFYSA-N 2 2 332.448 1.480 20 0 EDADLP [NH3+]C[C@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000420361148 446541706 /nfs/dbraw/zinc/54/17/06/446541706.db2.gz MTCLKCOUSDUWBG-HNNXBMFYSA-N 2 2 333.432 1.529 20 0 EDADLP [NH3+]C[C@H]([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CCCCC1 ZINC000420360383 446541794 /nfs/dbraw/zinc/54/17/94/446541794.db2.gz GYASCOOHUAVZJT-IRXDYDNUSA-N 2 2 331.460 1.604 20 0 EDADLP C[C@@H](Cc1cnccn1)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000453083481 446542208 /nfs/dbraw/zinc/54/22/08/446542208.db2.gz IDNBTRCANQSXFG-KRWDZBQOSA-N 3 2 340.475 1.605 20 0 EDADLP CCC[NH2+]CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000423455947 446544581 /nfs/dbraw/zinc/54/45/81/446544581.db2.gz GGCDUDIWBPEMBG-UHFFFAOYSA-N 2 2 335.448 1.178 20 0 EDADLP CCC[NH2+]CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000423455947 446544587 /nfs/dbraw/zinc/54/45/87/446544587.db2.gz GGCDUDIWBPEMBG-UHFFFAOYSA-N 2 2 335.448 1.178 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420368571 446546620 /nfs/dbraw/zinc/54/66/20/446546620.db2.gz UFTSFTFOLFVVMA-SFHVURJKSA-N 3 2 344.503 1.309 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@@H]3[C@H](C)CC[NH2+][C@H]3C)CC2)c1 ZINC000420373478 446550652 /nfs/dbraw/zinc/55/06/52/446550652.db2.gz RDMSHJPGBOWFPO-FUHIMQAGSA-N 2 2 344.503 1.620 20 0 EDADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000420372512 446551662 /nfs/dbraw/zinc/55/16/62/446551662.db2.gz XZWHIPLJTILVKC-CQSZACIVSA-N 2 2 349.414 1.011 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCCSc2ccccc2)CCCO1 ZINC000420380041 446556223 /nfs/dbraw/zinc/55/62/23/446556223.db2.gz BNRLTYFKGUIOOV-HNNXBMFYSA-N 2 2 337.489 1.335 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCCSc2ccccc2)CCCO1 ZINC000420380041 446556232 /nfs/dbraw/zinc/55/62/32/446556232.db2.gz BNRLTYFKGUIOOV-HNNXBMFYSA-N 2 2 337.489 1.335 20 0 EDADLP CC[C@@H](CSC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367615568 446568952 /nfs/dbraw/zinc/56/89/52/446568952.db2.gz BGQZXPGELWHSPP-KBPBESRZSA-N 2 2 328.526 1.596 20 0 EDADLP CC[C@@H](CSC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367615568 446568957 /nfs/dbraw/zinc/56/89/57/446568957.db2.gz BGQZXPGELWHSPP-KBPBESRZSA-N 2 2 328.526 1.596 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3scnc3C)CC2)C1 ZINC000375087308 446571319 /nfs/dbraw/zinc/57/13/19/446571319.db2.gz YZUMWOFPEYPYKL-MRXNPFEDSA-N 2 2 338.521 1.332 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3scnc3C)CC2)C1 ZINC000375087308 446571332 /nfs/dbraw/zinc/57/13/32/446571332.db2.gz YZUMWOFPEYPYKL-MRXNPFEDSA-N 2 2 338.521 1.332 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418515797 446576618 /nfs/dbraw/zinc/57/66/18/446576618.db2.gz QMHXFADHGMTETE-CYBMUJFWSA-N 2 2 326.391 1.496 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418515797 446576626 /nfs/dbraw/zinc/57/66/26/446576626.db2.gz QMHXFADHGMTETE-CYBMUJFWSA-N 2 2 326.391 1.496 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420403465 446576748 /nfs/dbraw/zinc/57/67/48/446576748.db2.gz KYWVMBSQKAEPIC-HKUYNNGSSA-N 3 2 344.503 1.248 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420403465 446576752 /nfs/dbraw/zinc/57/67/52/446576752.db2.gz KYWVMBSQKAEPIC-HKUYNNGSSA-N 3 2 344.503 1.248 20 0 EDADLP CC[C@H]1CN(C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418521827 446579913 /nfs/dbraw/zinc/57/99/13/446579913.db2.gz HQMWAISFNOQRNP-HNNXBMFYSA-N 2 2 340.418 1.886 20 0 EDADLP CC[C@H]1CN(C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418521827 446579916 /nfs/dbraw/zinc/57/99/16/446579916.db2.gz HQMWAISFNOQRNP-HNNXBMFYSA-N 2 2 340.418 1.886 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000368102132 446643633 /nfs/dbraw/zinc/64/36/33/446643633.db2.gz MMZSIHYTWGWGCN-RISCZKNCSA-N 2 2 334.445 1.989 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000368102132 446643636 /nfs/dbraw/zinc/64/36/36/446643636.db2.gz MMZSIHYTWGWGCN-RISCZKNCSA-N 2 2 334.445 1.989 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000423746186 446676706 /nfs/dbraw/zinc/67/67/06/446676706.db2.gz NKJCSKUMPJLYKY-QGZVFWFLSA-N 2 2 331.460 1.289 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000423746186 446676715 /nfs/dbraw/zinc/67/67/15/446676715.db2.gz NKJCSKUMPJLYKY-QGZVFWFLSA-N 2 2 331.460 1.289 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418702659 446654989 /nfs/dbraw/zinc/65/49/89/446654989.db2.gz HEXHRVQJRFZPJU-OTRWWLKZSA-N 2 2 334.464 1.435 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418702659 446654998 /nfs/dbraw/zinc/65/49/98/446654998.db2.gz HEXHRVQJRFZPJU-OTRWWLKZSA-N 2 2 334.464 1.435 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000375244567 446667548 /nfs/dbraw/zinc/66/75/48/446667548.db2.gz IQSFBFUTXGXIPM-HZPDHXFCSA-N 2 2 346.475 1.069 20 0 EDADLP Nc1[nH+]cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000434083468 446621086 /nfs/dbraw/zinc/62/10/86/446621086.db2.gz CXRIRLJMSVBSGF-UHFFFAOYSA-N 3 2 347.854 1.731 20 0 EDADLP O=C(NC[C@H]1CCCC[NH+]1C1CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368048525 446622563 /nfs/dbraw/zinc/62/25/63/446622563.db2.gz YIYJSHXMPZDACP-SJORKVTESA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1CCCC[NH+]1C1CC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368048525 446622567 /nfs/dbraw/zinc/62/25/67/446622567.db2.gz YIYJSHXMPZDACP-SJORKVTESA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000368048525 446622572 /nfs/dbraw/zinc/62/25/72/446622572.db2.gz YIYJSHXMPZDACP-SJORKVTESA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000368048525 446622576 /nfs/dbraw/zinc/62/25/76/446622576.db2.gz YIYJSHXMPZDACP-SJORKVTESA-N 2 2 336.480 1.166 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434135125 446625768 /nfs/dbraw/zinc/62/57/68/446625768.db2.gz JTWSOYIDGSYXBO-LSDHHAIUSA-N 2 2 337.468 1.190 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000418647244 446632182 /nfs/dbraw/zinc/63/21/82/446632182.db2.gz GMUPODSBLVQHEL-FUHWJXTLSA-N 2 2 346.475 1.365 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000423757978 446687665 /nfs/dbraw/zinc/68/76/65/446687665.db2.gz NIADDXWRGTZDHE-XPKDYRNWSA-N 2 2 339.505 1.919 20 0 EDADLP CC(C)[C@@H](CNc1nc(N[C@@H]2CCCOC2)cc[nH+]1)[NH+]1CCOCC1 ZINC000435344422 446691378 /nfs/dbraw/zinc/69/13/78/446691378.db2.gz VMYARWLMXKMNOQ-HZPDHXFCSA-N 2 2 349.479 1.836 20 0 EDADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CSC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000423811194 446702779 /nfs/dbraw/zinc/70/27/79/446702779.db2.gz BUVHARMXMPNMOD-YESZJQIVSA-N 2 2 347.484 1.752 20 0 EDADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CSC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000423811194 446702783 /nfs/dbraw/zinc/70/27/83/446702783.db2.gz BUVHARMXMPNMOD-YESZJQIVSA-N 2 2 347.484 1.752 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])COC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423820342 446710781 /nfs/dbraw/zinc/71/07/81/446710781.db2.gz GNOLAXAOOCGGEI-KCQAQPDRSA-N 2 2 345.365 1.329 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])COC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423820342 446710788 /nfs/dbraw/zinc/71/07/88/446710788.db2.gz GNOLAXAOOCGGEI-KCQAQPDRSA-N 2 2 345.365 1.329 20 0 EDADLP COC[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000411911784 446724098 /nfs/dbraw/zinc/72/40/98/446724098.db2.gz OHURHOAGCSJNSS-FHWLQOOXSA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@@H]1C[C@H](O)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000411911784 446724108 /nfs/dbraw/zinc/72/41/08/446724108.db2.gz OHURHOAGCSJNSS-FHWLQOOXSA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@@H]1C[C@H](O)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000411911784 446724117 /nfs/dbraw/zinc/72/41/17/446724117.db2.gz OHURHOAGCSJNSS-FHWLQOOXSA-N 2 2 334.460 1.359 20 0 EDADLP COC[C@@H]1C[C@H](O)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000411911784 446724123 /nfs/dbraw/zinc/72/41/23/446724123.db2.gz OHURHOAGCSJNSS-FHWLQOOXSA-N 2 2 334.460 1.359 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423853310 446731988 /nfs/dbraw/zinc/73/19/88/446731988.db2.gz WPEICAOHCIDKHN-QGZVFWFLSA-N 2 2 330.432 1.041 20 0 EDADLP C[NH+]1CCN(c2ncc(CN3CCC[C@@H]3c3[nH]cc[nH+]3)cn2)CC1 ZINC000375344057 446736571 /nfs/dbraw/zinc/73/65/71/446736571.db2.gz BOPKECVRKKJJKK-OAHLLOKOSA-N 2 2 327.436 1.289 20 0 EDADLP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418760381 446678542 /nfs/dbraw/zinc/67/85/42/446678542.db2.gz FCWAMBFJNJLIAR-QGZVFWFLSA-N 2 2 331.464 1.441 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000423751176 446682261 /nfs/dbraw/zinc/68/22/61/446682261.db2.gz YJSODKOHRGXYNZ-CVEARBPZSA-N 2 2 333.480 1.362 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423900037 446751867 /nfs/dbraw/zinc/75/18/67/446751867.db2.gz RCHZSGQVHUPFQF-ZIAGYGMSSA-N 2 2 327.469 1.106 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423900037 446751871 /nfs/dbraw/zinc/75/18/71/446751871.db2.gz RCHZSGQVHUPFQF-ZIAGYGMSSA-N 2 2 327.469 1.106 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423911668 446760924 /nfs/dbraw/zinc/76/09/24/446760924.db2.gz HIKFLVZEHDIHIX-RDBSUJKOSA-N 2 2 325.453 1.728 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423911668 446760927 /nfs/dbraw/zinc/76/09/27/446760927.db2.gz HIKFLVZEHDIHIX-RDBSUJKOSA-N 2 2 325.453 1.728 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371305637 446761063 /nfs/dbraw/zinc/76/10/63/446761063.db2.gz ZOJPOFYNRKOYQG-SJLPKXTDSA-N 2 2 336.524 1.393 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371305637 446761066 /nfs/dbraw/zinc/76/10/66/446761066.db2.gz ZOJPOFYNRKOYQG-SJLPKXTDSA-N 2 2 336.524 1.393 20 0 EDADLP [NH3+]C1(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CCC1 ZINC000423924753 446774849 /nfs/dbraw/zinc/77/48/49/446774849.db2.gz DYSXBQULZWXGIC-CQSZACIVSA-N 2 2 330.432 1.543 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000423934798 446784991 /nfs/dbraw/zinc/78/49/91/446784991.db2.gz ZZMBEDUDOZOKHI-GLJUWKHASA-N 2 2 330.432 1.127 20 0 EDADLP CN(C(=O)NCC1([NH+]2CCOCC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376944974 446814370 /nfs/dbraw/zinc/81/43/70/446814370.db2.gz FRMYZNYUXBTUSJ-XYPWUTKMSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)NCC1([NH+]2CCOCC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376944974 446814375 /nfs/dbraw/zinc/81/43/75/446814375.db2.gz FRMYZNYUXBTUSJ-XYPWUTKMSA-N 2 2 336.480 1.118 20 0 EDADLP CC[N@H+](CC(=O)N1CCC(O)(C[NH3+])CC1)Cc1ccccc1Cl ZINC000424057041 446832877 /nfs/dbraw/zinc/83/28/77/446832877.db2.gz LRENYTRUCBKHRA-UHFFFAOYSA-N 2 2 339.867 1.474 20 0 EDADLP CC[N@@H+](CC(=O)N1CCC(O)(C[NH3+])CC1)Cc1ccccc1Cl ZINC000424057041 446832883 /nfs/dbraw/zinc/83/28/83/446832883.db2.gz LRENYTRUCBKHRA-UHFFFAOYSA-N 2 2 339.867 1.474 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[NH+](CC3CC3)CC2)c2n1CCCC2 ZINC000371408577 446835821 /nfs/dbraw/zinc/83/58/21/446835821.db2.gz WBJIQCLPEDGVPD-UHFFFAOYSA-N 2 2 331.464 1.765 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000419009711 446864206 /nfs/dbraw/zinc/86/42/06/446864206.db2.gz WPVLHQYKSZSFMI-INIZCTEOSA-N 2 2 346.475 1.278 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000419009711 446864210 /nfs/dbraw/zinc/86/42/10/446864210.db2.gz WPVLHQYKSZSFMI-INIZCTEOSA-N 2 2 346.475 1.278 20 0 EDADLP Cn1c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc2sc1=O ZINC000368440774 446865440 /nfs/dbraw/zinc/86/54/40/446865440.db2.gz HLXOVYNPYBCEBM-UONOGXRCSA-N 2 2 333.457 1.553 20 0 EDADLP Cn1c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2sc1=O ZINC000368440774 446865445 /nfs/dbraw/zinc/86/54/45/446865445.db2.gz HLXOVYNPYBCEBM-UONOGXRCSA-N 2 2 333.457 1.553 20 0 EDADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)N[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC000424356012 446867226 /nfs/dbraw/zinc/86/72/26/446867226.db2.gz URFOYVULJMDVDQ-GDVJQSGWSA-N 2 2 332.448 1.533 20 0 EDADLP C[C@H]1CN(C(=O)CCc2ccccc2O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371458567 446870663 /nfs/dbraw/zinc/87/06/63/446870663.db2.gz LBFVTZWDSUTJLK-INIZCTEOSA-N 2 2 345.487 1.952 20 0 EDADLP C[C@H]1CN(C(=O)CCc2ccccc2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371458567 446870665 /nfs/dbraw/zinc/87/06/65/446870665.db2.gz LBFVTZWDSUTJLK-INIZCTEOSA-N 2 2 345.487 1.952 20 0 EDADLP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420913319 446885996 /nfs/dbraw/zinc/88/59/96/446885996.db2.gz ANPRJTSYVUQSKP-ZWKOTPCHSA-N 2 2 348.443 1.017 20 0 EDADLP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420913319 446886003 /nfs/dbraw/zinc/88/60/03/446886003.db2.gz ANPRJTSYVUQSKP-ZWKOTPCHSA-N 2 2 348.443 1.017 20 0 EDADLP COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420913317 446886400 /nfs/dbraw/zinc/88/64/00/446886400.db2.gz ANPRJTSYVUQSKP-QZTJIDSGSA-N 2 2 348.443 1.017 20 0 EDADLP COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420913317 446886404 /nfs/dbraw/zinc/88/64/04/446886404.db2.gz ANPRJTSYVUQSKP-QZTJIDSGSA-N 2 2 348.443 1.017 20 0 EDADLP C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000420925802 446894960 /nfs/dbraw/zinc/89/49/60/446894960.db2.gz MEQLBGGBUCEGFR-LSDHHAIUSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000420925802 446894964 /nfs/dbraw/zinc/89/49/64/446894964.db2.gz MEQLBGGBUCEGFR-LSDHHAIUSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000377064135 446896356 /nfs/dbraw/zinc/89/63/56/446896356.db2.gz BHWYHGMGLZVKAO-IXDOHACOSA-N 2 2 332.496 1.182 20 0 EDADLP O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420934621 446906793 /nfs/dbraw/zinc/90/67/93/446906793.db2.gz JJBGTCQUSUJVPI-IBGZPJMESA-N 2 2 343.471 1.716 20 0 EDADLP O=C1CCCN1[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420934621 446906796 /nfs/dbraw/zinc/90/67/96/446906796.db2.gz JJBGTCQUSUJVPI-IBGZPJMESA-N 2 2 343.471 1.716 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccccc3C[NH+]3CCOCC3)C[C@@H]21 ZINC000454543635 446908152 /nfs/dbraw/zinc/90/81/52/446908152.db2.gz RSDGKTZOKIFEFB-AEFFLSMTSA-N 2 2 344.459 1.687 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccccc3C[NH+]3CCOCC3)C[C@@H]21 ZINC000454543635 446908154 /nfs/dbraw/zinc/90/81/54/446908154.db2.gz RSDGKTZOKIFEFB-AEFFLSMTSA-N 2 2 344.459 1.687 20 0 EDADLP C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959596 446929369 /nfs/dbraw/zinc/92/93/69/446929369.db2.gz GSPCTHSFRUYWCY-APWZRJJASA-N 2 2 334.460 1.491 20 0 EDADLP C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959596 446929371 /nfs/dbraw/zinc/92/93/71/446929371.db2.gz GSPCTHSFRUYWCY-APWZRJJASA-N 2 2 334.460 1.491 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368539722 446931338 /nfs/dbraw/zinc/93/13/38/446931338.db2.gz QCSFZDCTXFJBGE-INIZCTEOSA-N 2 2 325.497 1.282 20 0 EDADLP C[C@H]1COCC[N@H+]1CCN(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368539722 446931344 /nfs/dbraw/zinc/93/13/44/446931344.db2.gz QCSFZDCTXFJBGE-INIZCTEOSA-N 2 2 325.497 1.282 20 0 EDADLP c1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420967133 446936826 /nfs/dbraw/zinc/93/68/26/446936826.db2.gz SSOBREQPVFDCFU-HXUWFJFHSA-N 2 2 346.471 1.900 20 0 EDADLP c1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420967133 446936830 /nfs/dbraw/zinc/93/68/30/446936830.db2.gz SSOBREQPVFDCFU-HXUWFJFHSA-N 2 2 346.471 1.900 20 0 EDADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H](C2CC2)O1 ZINC000375676942 446970552 /nfs/dbraw/zinc/97/05/52/446970552.db2.gz XACFKAWLZBQCSJ-YOEHRIQHSA-N 2 2 338.496 1.221 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758216 446954136 /nfs/dbraw/zinc/95/41/36/446954136.db2.gz OLRJQPLSPLNVGQ-WFVVYAPDSA-N 2 2 329.444 1.321 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758216 446954140 /nfs/dbraw/zinc/95/41/40/446954140.db2.gz OLRJQPLSPLNVGQ-WFVVYAPDSA-N 2 2 329.444 1.321 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000442763115 446956245 /nfs/dbraw/zinc/95/62/45/446956245.db2.gz DAOMRUMVIRUUCM-NWDGAFQWSA-N 2 2 348.838 1.528 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000442763115 446956253 /nfs/dbraw/zinc/95/62/53/446956253.db2.gz DAOMRUMVIRUUCM-NWDGAFQWSA-N 2 2 348.838 1.528 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000442774913 446963000 /nfs/dbraw/zinc/96/30/00/446963000.db2.gz BCUXOMSOCHJEFU-QWRGUYRKSA-N 2 2 340.353 1.850 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000442774913 446963008 /nfs/dbraw/zinc/96/30/08/446963008.db2.gz BCUXOMSOCHJEFU-QWRGUYRKSA-N 2 2 340.353 1.850 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)c1C ZINC000442777691 446965591 /nfs/dbraw/zinc/96/55/91/446965591.db2.gz DVLVPIUDUOIVRC-GXFFZTMASA-N 2 2 347.488 1.690 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)cs2)c1C ZINC000442777691 446965600 /nfs/dbraw/zinc/96/56/00/446965600.db2.gz DVLVPIUDUOIVRC-GXFFZTMASA-N 2 2 347.488 1.690 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000371833151 446969884 /nfs/dbraw/zinc/96/98/84/446969884.db2.gz VVXYGUKFEYJUDM-KRWDZBQOSA-N 2 2 336.524 1.489 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000371833151 446969892 /nfs/dbraw/zinc/96/98/92/446969892.db2.gz VVXYGUKFEYJUDM-KRWDZBQOSA-N 2 2 336.524 1.489 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1CCOCC1 ZINC000425057944 447005799 /nfs/dbraw/zinc/00/57/99/447005799.db2.gz NTKOEHRMXIYYHD-KSZLIROESA-N 2 2 337.508 1.676 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCOCC1 ZINC000425057944 447005804 /nfs/dbraw/zinc/00/58/04/447005804.db2.gz NTKOEHRMXIYYHD-KSZLIROESA-N 2 2 337.508 1.676 20 0 EDADLP CSC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000375735706 447010945 /nfs/dbraw/zinc/01/09/45/447010945.db2.gz JFZFORWOWUHXCU-AWEZNQCLSA-N 2 2 340.537 1.740 20 0 EDADLP CSC1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000375735706 447010947 /nfs/dbraw/zinc/01/09/47/447010947.db2.gz JFZFORWOWUHXCU-AWEZNQCLSA-N 2 2 340.537 1.740 20 0 EDADLP COc1c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)nn1C ZINC000377242851 447015827 /nfs/dbraw/zinc/01/58/27/447015827.db2.gz TWGXHAKKAYSGDU-RHSMWYFYSA-N 2 2 335.496 1.195 20 0 EDADLP COc1c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)nn1C ZINC000377242851 447015834 /nfs/dbraw/zinc/01/58/34/447015834.db2.gz TWGXHAKKAYSGDU-RHSMWYFYSA-N 2 2 335.496 1.195 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NCCCNc1cccc[nH+]1 ZINC000413122555 447016270 /nfs/dbraw/zinc/01/62/70/447016270.db2.gz KJQGPIZRIUBHBU-UHFFFAOYSA-N 2 2 335.452 1.294 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413124903 447017763 /nfs/dbraw/zinc/01/77/63/447017763.db2.gz DRDXKSMOGPSJAP-OAHLLOKOSA-N 2 2 328.501 1.373 20 0 EDADLP CSC[C@@H](O)C[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000372297946 447036069 /nfs/dbraw/zinc/03/60/69/447036069.db2.gz WTSJXLKKLGJYHA-HNNXBMFYSA-N 2 2 338.521 1.369 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3ccccc3F)CC2)CC1 ZINC000375813378 447071758 /nfs/dbraw/zinc/07/17/58/447071758.db2.gz ZQBIBNSLCCIGJF-UHFFFAOYSA-N 2 2 334.439 1.112 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3ccccc3F)CC2)CC1 ZINC000375813378 447071766 /nfs/dbraw/zinc/07/17/66/447071766.db2.gz ZQBIBNSLCCIGJF-UHFFFAOYSA-N 2 2 334.439 1.112 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000377327244 447068819 /nfs/dbraw/zinc/06/88/19/447068819.db2.gz MSHFOXNAZGPARI-MRXNPFEDSA-N 2 2 349.479 1.623 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000377327244 447068826 /nfs/dbraw/zinc/06/88/26/447068826.db2.gz MSHFOXNAZGPARI-MRXNPFEDSA-N 2 2 349.479 1.623 20 0 EDADLP CCCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372524841 447110140 /nfs/dbraw/zinc/11/01/40/447110140.db2.gz FYXXSOUGLNYKRP-RDJZCZTQSA-N 2 2 347.463 1.242 20 0 EDADLP CCCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372524841 447110151 /nfs/dbraw/zinc/11/01/51/447110151.db2.gz FYXXSOUGLNYKRP-RDJZCZTQSA-N 2 2 347.463 1.242 20 0 EDADLP CCCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372524841 447110157 /nfs/dbraw/zinc/11/01/57/447110157.db2.gz FYXXSOUGLNYKRP-RDJZCZTQSA-N 2 2 347.463 1.242 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1(C)C ZINC000368798685 447113994 /nfs/dbraw/zinc/11/39/94/447113994.db2.gz SIRIPLYPZARVAV-KSSFIOAISA-N 2 2 343.431 1.416 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377407916 447116110 /nfs/dbraw/zinc/11/61/10/447116110.db2.gz CPCWBLASPOCFOT-YPMHNXCESA-N 2 2 334.445 1.526 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377407916 447116113 /nfs/dbraw/zinc/11/61/13/447116113.db2.gz CPCWBLASPOCFOT-YPMHNXCESA-N 2 2 334.445 1.526 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000375880232 447118951 /nfs/dbraw/zinc/11/89/51/447118951.db2.gz LUPVWIYDCBBVEQ-UHFFFAOYSA-N 2 2 347.507 1.669 20 0 EDADLP COc1ccc(C[C@H](CO)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1O ZINC000425343246 447122954 /nfs/dbraw/zinc/12/29/54/447122954.db2.gz CHGIJWPLCYCJET-AWEZNQCLSA-N 2 2 348.447 1.141 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)n1C ZINC000372479001 447076182 /nfs/dbraw/zinc/07/61/82/447076182.db2.gz ZHBZXTVQXMULDY-HRCADAONSA-N 2 2 335.496 1.918 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)n1C ZINC000372479001 447076187 /nfs/dbraw/zinc/07/61/87/447076187.db2.gz ZHBZXTVQXMULDY-HRCADAONSA-N 2 2 335.496 1.918 20 0 EDADLP c1ccc(N2CC[C@@H](Nc3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)[nH+]c1 ZINC000372573803 447152784 /nfs/dbraw/zinc/15/27/84/447152784.db2.gz WKURDCXTALMRDG-HUUCEWRRSA-N 2 2 340.431 2.153 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(C(F)F)no3)CC2)CC1 ZINC000425465858 447176527 /nfs/dbraw/zinc/17/65/27/447176527.db2.gz BFXMFWCHNLCVDZ-UHFFFAOYSA-N 2 2 343.422 1.999 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(C(F)F)no3)CC2)CC1 ZINC000425465858 447176533 /nfs/dbraw/zinc/17/65/33/447176533.db2.gz BFXMFWCHNLCVDZ-UHFFFAOYSA-N 2 2 343.422 1.999 20 0 EDADLP CCOC(=O)[C@H](CC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000413447850 447187407 /nfs/dbraw/zinc/18/74/07/447187407.db2.gz VYFVXPNIFZJWSS-OAHLLOKOSA-N 2 2 327.469 1.060 20 0 EDADLP CCOC(=O)[C@H](CC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000413447850 447187413 /nfs/dbraw/zinc/18/74/13/447187413.db2.gz VYFVXPNIFZJWSS-OAHLLOKOSA-N 2 2 327.469 1.060 20 0 EDADLP CN1CC[NH+](C[C@@H]2CN(c3cc[nH+]c4cc(F)ccc43)CCO2)CC1 ZINC000375987225 447194547 /nfs/dbraw/zinc/19/45/47/447194547.db2.gz UEFGDERDXUIBTK-MRXNPFEDSA-N 2 2 344.434 1.827 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000425558835 447231126 /nfs/dbraw/zinc/23/11/26/447231126.db2.gz FXTAWVCXKBLUPY-UHFFFAOYSA-N 2 2 334.464 1.951 20 0 EDADLP CNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000372813370 447297729 /nfs/dbraw/zinc/29/77/29/447297729.db2.gz FNQPRGPTMDHHJR-INIZCTEOSA-N 2 2 334.445 1.304 20 0 EDADLP CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000372813370 447297735 /nfs/dbraw/zinc/29/77/35/447297735.db2.gz FNQPRGPTMDHHJR-INIZCTEOSA-N 2 2 334.445 1.304 20 0 EDADLP O=C(CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000450345608 447462726 /nfs/dbraw/zinc/46/27/26/447462726.db2.gz BNQOLFGSSLCCRO-UHFFFAOYSA-N 2 2 343.471 1.890 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1cn3ccccc3[nH+]1)C2=O ZINC000391731355 447517658 /nfs/dbraw/zinc/51/76/58/447517658.db2.gz VLAWBSQMSKJFTG-PXAZEXFGSA-N 2 2 327.388 1.274 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495610391 447522379 /nfs/dbraw/zinc/52/23/79/447522379.db2.gz HPFKVTDTAGGPPO-JKSUJKDBSA-N 2 2 340.512 1.564 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495610391 447522387 /nfs/dbraw/zinc/52/23/87/447522387.db2.gz HPFKVTDTAGGPPO-JKSUJKDBSA-N 2 2 340.512 1.564 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000427301493 447577786 /nfs/dbraw/zinc/57/77/86/447577786.db2.gz XVWWAVLNGQKXNN-MJGOQNOKSA-N 2 2 345.487 1.783 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000427301493 447577788 /nfs/dbraw/zinc/57/77/88/447577788.db2.gz XVWWAVLNGQKXNN-MJGOQNOKSA-N 2 2 345.487 1.783 20 0 EDADLP O=C(C[C@H]1CC[NH2+]C1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000427322962 447581040 /nfs/dbraw/zinc/58/10/40/447581040.db2.gz VOLBVKWCYXEKMC-SNVBAGLBSA-N 2 2 337.221 1.713 20 0 EDADLP COC(=O)C1(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000450814610 447586560 /nfs/dbraw/zinc/58/65/60/447586560.db2.gz QXXTZJDQWPKYRZ-KBPBESRZSA-N 2 2 338.427 1.218 20 0 EDADLP COC(=O)C1(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000450814610 447586562 /nfs/dbraw/zinc/58/65/62/447586562.db2.gz QXXTZJDQWPKYRZ-KBPBESRZSA-N 2 2 338.427 1.218 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000420077420 447587408 /nfs/dbraw/zinc/58/74/08/447587408.db2.gz CHOXXMGYHHJIQS-MRXNPFEDSA-N 2 2 346.475 1.135 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000420077420 447587411 /nfs/dbraw/zinc/58/74/11/447587411.db2.gz CHOXXMGYHHJIQS-MRXNPFEDSA-N 2 2 346.475 1.135 20 0 EDADLP Cc1cccc(NCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)[nH+]1 ZINC000427410978 447592412 /nfs/dbraw/zinc/59/24/12/447592412.db2.gz CQMGGPXBSKPEAP-AWEZNQCLSA-N 2 2 328.420 1.665 20 0 EDADLP Cc1cccc(NCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)[nH+]1 ZINC000427410978 447592419 /nfs/dbraw/zinc/59/24/19/447592419.db2.gz CQMGGPXBSKPEAP-AWEZNQCLSA-N 2 2 328.420 1.665 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000416299479 447560013 /nfs/dbraw/zinc/56/00/13/447560013.db2.gz RYVMEBCPAAWMFF-HUUCEWRRSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000416299479 447560020 /nfs/dbraw/zinc/56/00/20/447560020.db2.gz RYVMEBCPAAWMFF-HUUCEWRRSA-N 2 2 328.416 1.399 20 0 EDADLP Cc1cc(C)c(CNC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c[nH+]1 ZINC000459083490 447567186 /nfs/dbraw/zinc/56/71/86/447567186.db2.gz STMVXOSTNKSZBH-MRXNPFEDSA-N 2 2 348.491 1.933 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459341903 447639890 /nfs/dbraw/zinc/63/98/90/447639890.db2.gz GEFLGRDZYXCIHL-INIZCTEOSA-N 2 2 325.888 1.638 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459341903 447639895 /nfs/dbraw/zinc/63/98/95/447639895.db2.gz GEFLGRDZYXCIHL-INIZCTEOSA-N 2 2 325.888 1.638 20 0 EDADLP COc1ccc([C@@H](NC(=O)NC[C@@H](C)C[NH3+])c2[nH+]ccn2C)cc1 ZINC000416907705 447705020 /nfs/dbraw/zinc/70/50/20/447705020.db2.gz NBDJAZBKBVWIRC-SWLSCSKDSA-N 2 2 331.420 1.412 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422587877 447657116 /nfs/dbraw/zinc/65/71/16/447657116.db2.gz JFHAHLJNUVYACD-OAHLLOKOSA-N 2 2 332.448 1.115 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422587877 447657118 /nfs/dbraw/zinc/65/71/18/447657118.db2.gz JFHAHLJNUVYACD-OAHLLOKOSA-N 2 2 332.448 1.115 20 0 EDADLP OC[C@H]1CCCN1c1cc(NCCC[NH2+]Cc2cccnc2)[nH+]cn1 ZINC000420189484 447662683 /nfs/dbraw/zinc/66/26/83/447662683.db2.gz UQVDYGUSCUUOBJ-MRXNPFEDSA-N 2 2 342.447 1.425 20 0 EDADLP OC[C@H]1CCCN1c1cc(NCCC[NH2+]Cc2cccnc2)nc[nH+]1 ZINC000420189484 447662688 /nfs/dbraw/zinc/66/26/88/447662688.db2.gz UQVDYGUSCUUOBJ-MRXNPFEDSA-N 2 2 342.447 1.425 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000422636944 447682912 /nfs/dbraw/zinc/68/29/12/447682912.db2.gz NVVBLDPZHBTFGL-MGPQQGTHSA-N 2 2 333.432 1.702 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000422636944 447682916 /nfs/dbraw/zinc/68/29/16/447682916.db2.gz NVVBLDPZHBTFGL-MGPQQGTHSA-N 2 2 333.432 1.702 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422639027 447683938 /nfs/dbraw/zinc/68/39/38/447683938.db2.gz SAHBKMGIGMVSEI-UHFFFAOYSA-N 2 2 331.460 1.872 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422640927 447684971 /nfs/dbraw/zinc/68/49/71/447684971.db2.gz WOSHGMHOFHHPGE-FMKPAKJESA-N 2 2 346.475 1.680 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422640927 447684977 /nfs/dbraw/zinc/68/49/77/447684977.db2.gz WOSHGMHOFHHPGE-FMKPAKJESA-N 2 2 346.475 1.680 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C)CC[NH2+]CC1 ZINC000422718506 447727696 /nfs/dbraw/zinc/72/76/96/447727696.db2.gz PVIPKIXDRLCPES-JKSUJKDBSA-N 3 2 327.513 1.874 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000416989360 447728408 /nfs/dbraw/zinc/72/84/08/447728408.db2.gz DLTHRHLVSXDAOK-NVXWUHKLSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000417272726 447740339 /nfs/dbraw/zinc/74/03/39/447740339.db2.gz VWDDSDACRRZHCU-HOCLYGCPSA-N 2 2 327.432 1.999 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000422814021 447757042 /nfs/dbraw/zinc/75/70/42/447757042.db2.gz SXAQUMZFXYEPEZ-DLBZAZTESA-N 2 2 328.416 1.315 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC[NH2+]CC1 ZINC000422817118 447757828 /nfs/dbraw/zinc/75/78/28/447757828.db2.gz GTLFMLVSNMYIQA-HZPDHXFCSA-N 3 2 327.513 1.874 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000422821383 447759182 /nfs/dbraw/zinc/75/91/82/447759182.db2.gz VWDXUGJTYXAAHB-GVDBMIGSSA-N 2 2 325.497 1.770 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000430554475 447777475 /nfs/dbraw/zinc/77/74/75/447777475.db2.gz VIWCXLKNEUYSQB-LSDHHAIUSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000430554475 447777480 /nfs/dbraw/zinc/77/74/80/447777480.db2.gz VIWCXLKNEUYSQB-LSDHHAIUSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422944157 447777775 /nfs/dbraw/zinc/77/77/75/447777775.db2.gz ZGXIVTOZUHNFIN-TZMCWYRMSA-N 2 2 346.880 1.470 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430578772 447780928 /nfs/dbraw/zinc/78/09/28/447780928.db2.gz FQLYSKFGRRDOIU-KGLIPLIRSA-N 2 2 326.462 1.528 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430578772 447780931 /nfs/dbraw/zinc/78/09/31/447780931.db2.gz FQLYSKFGRRDOIU-KGLIPLIRSA-N 2 2 326.462 1.528 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430928991 447787804 /nfs/dbraw/zinc/78/78/04/447787804.db2.gz MLQKONMSVGSJJA-OAGGEKHMSA-N 2 2 347.459 1.344 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430928991 447787806 /nfs/dbraw/zinc/78/78/06/447787806.db2.gz MLQKONMSVGSJJA-OAGGEKHMSA-N 2 2 347.459 1.344 20 0 EDADLP CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000422995482 447788773 /nfs/dbraw/zinc/78/87/73/447788773.db2.gz KFAFKXPMSMDJPU-KGLIPLIRSA-N 2 2 345.534 1.879 20 0 EDADLP FC(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423023954 447793033 /nfs/dbraw/zinc/79/30/33/447793033.db2.gz KXPNPQWXGKZGAT-KFWWJZLASA-N 2 2 341.402 1.972 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000462007455 447797663 /nfs/dbraw/zinc/79/76/63/447797663.db2.gz GJRLIHWVHCNCQF-OFQRWUPVSA-N 2 2 337.468 1.668 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000462007455 447797668 /nfs/dbraw/zinc/79/76/68/447797668.db2.gz GJRLIHWVHCNCQF-OFQRWUPVSA-N 2 2 337.468 1.668 20 0 EDADLP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423086100 447802460 /nfs/dbraw/zinc/80/24/60/447802460.db2.gz MJSUSWYGDMLMJO-HOJAQTOUSA-N 3 2 329.488 1.865 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423086100 447802463 /nfs/dbraw/zinc/80/24/63/447802463.db2.gz MJSUSWYGDMLMJO-HOJAQTOUSA-N 3 2 329.488 1.865 20 0 EDADLP COC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000452032930 447805690 /nfs/dbraw/zinc/80/56/90/447805690.db2.gz XYHGPBAUSTZDJY-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP COC[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000452032930 447805693 /nfs/dbraw/zinc/80/56/93/447805693.db2.gz XYHGPBAUSTZDJY-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CCc3sccc3C1)C[NH+]1CCC2CC1 ZINC000496630217 447836934 /nfs/dbraw/zinc/83/69/34/447836934.db2.gz ZMENUEHOTFIBQK-KRWDZBQOSA-N 2 2 333.457 1.980 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CCc3sccc3C1)C[NH+]1CCC2CC1 ZINC000496630217 447836936 /nfs/dbraw/zinc/83/69/36/447836936.db2.gz ZMENUEHOTFIBQK-KRWDZBQOSA-N 2 2 333.457 1.980 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000496644062 447839966 /nfs/dbraw/zinc/83/99/66/447839966.db2.gz LAETZSNNBRJZBH-HNNXBMFYSA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000496644062 447839967 /nfs/dbraw/zinc/83/99/67/447839967.db2.gz LAETZSNNBRJZBH-HNNXBMFYSA-N 2 2 329.485 1.630 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000552363665 447947714 /nfs/dbraw/zinc/94/77/14/447947714.db2.gz GDISCZYYNPUHPU-VXGBXAGGSA-N 2 2 332.370 1.945 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000552363665 447947718 /nfs/dbraw/zinc/94/77/18/447947718.db2.gz GDISCZYYNPUHPU-VXGBXAGGSA-N 2 2 332.370 1.945 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)NCC1CC[NH+](CC(F)F)CC1 ZINC000576001999 447949646 /nfs/dbraw/zinc/94/96/46/447949646.db2.gz OOQWNKPBJPANSI-UHFFFAOYSA-N 2 2 340.418 1.855 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CCN2C1=O ZINC000569988463 447930952 /nfs/dbraw/zinc/93/09/52/447930952.db2.gz LBEKQDYMTKKQHE-RISCZKNCSA-N 2 2 347.369 1.099 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CCN2C1=O ZINC000569988463 447930957 /nfs/dbraw/zinc/93/09/57/447930957.db2.gz LBEKQDYMTKKQHE-RISCZKNCSA-N 2 2 347.369 1.099 20 0 EDADLP Cn1ncc(Br)c1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570044432 447936884 /nfs/dbraw/zinc/93/68/84/447936884.db2.gz KMIHHYWEAYUTAU-LLVKDONJSA-N 2 2 343.269 1.370 20 0 EDADLP Cn1ncc(Br)c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570044432 447936889 /nfs/dbraw/zinc/93/68/89/447936889.db2.gz KMIHHYWEAYUTAU-LLVKDONJSA-N 2 2 343.269 1.370 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000570295779 447981722 /nfs/dbraw/zinc/98/17/22/447981722.db2.gz PGSQBCCRYPPXEH-QGZVFWFLSA-N 2 2 345.491 1.641 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000570295779 447981724 /nfs/dbraw/zinc/98/17/24/447981724.db2.gz PGSQBCCRYPPXEH-QGZVFWFLSA-N 2 2 345.491 1.641 20 0 EDADLP C[NH+](C)CC1CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496851470 447969183 /nfs/dbraw/zinc/96/91/83/447969183.db2.gz HQIVVVSMKQXOOE-SFHVURJKSA-N 3 2 336.480 1.134 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000576282811 448018310 /nfs/dbraw/zinc/01/83/10/448018310.db2.gz UYFAWRGRTZXKSS-KRWDZBQOSA-N 2 2 326.444 1.866 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NCC[N@H+]1CC=CCC1)C(F)(F)F ZINC000570460333 448019269 /nfs/dbraw/zinc/01/92/69/448019269.db2.gz RPQKARPENMNBSV-GFCCVEGCSA-N 2 2 330.354 1.834 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NCC[N@@H+]1CC=CCC1)C(F)(F)F ZINC000570460333 448019273 /nfs/dbraw/zinc/01/92/73/448019273.db2.gz RPQKARPENMNBSV-GFCCVEGCSA-N 2 2 330.354 1.834 20 0 EDADLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cnn(C)c1 ZINC000531168875 448032179 /nfs/dbraw/zinc/03/21/79/448032179.db2.gz MCPCYMFEDQRLIO-INIZCTEOSA-N 2 2 347.507 1.590 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000497300002 448052558 /nfs/dbraw/zinc/05/25/58/448052558.db2.gz UJRIYBJKDIXYIC-BZUAXINKSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000497300002 448052561 /nfs/dbraw/zinc/05/25/61/448052561.db2.gz UJRIYBJKDIXYIC-BZUAXINKSA-N 2 2 341.496 1.869 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000576566478 448083681 /nfs/dbraw/zinc/08/36/81/448083681.db2.gz RRPWOXDOCHSUKV-GVDBMIGSSA-N 2 2 337.489 1.493 20 0 EDADLP CC(C)c1ccc(O[C@H](C)CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000570911767 448083883 /nfs/dbraw/zinc/08/38/83/448083883.db2.gz LPWYCFRJJXKOJQ-WBVHZDCISA-N 2 2 348.491 1.862 20 0 EDADLP CC(C)c1ccc(O[C@H](C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000570911767 448083887 /nfs/dbraw/zinc/08/38/87/448083887.db2.gz LPWYCFRJJXKOJQ-WBVHZDCISA-N 2 2 348.491 1.862 20 0 EDADLP C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500409858 448086956 /nfs/dbraw/zinc/08/69/56/448086956.db2.gz JQSREKPCUDNFLK-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500409858 448086958 /nfs/dbraw/zinc/08/69/58/448086958.db2.gz JQSREKPCUDNFLK-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H](CN1CCOCC1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000500409858 448086962 /nfs/dbraw/zinc/08/69/62/448086962.db2.gz JQSREKPCUDNFLK-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H](CN1CCOCC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000500409858 448086965 /nfs/dbraw/zinc/08/69/65/448086965.db2.gz JQSREKPCUDNFLK-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000571057312 448103506 /nfs/dbraw/zinc/10/35/06/448103506.db2.gz ONZHSIORNXJSHC-QGZVFWFLSA-N 2 2 341.521 1.042 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000571057312 448103510 /nfs/dbraw/zinc/10/35/10/448103510.db2.gz ONZHSIORNXJSHC-QGZVFWFLSA-N 2 2 341.521 1.042 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576491553 448068732 /nfs/dbraw/zinc/06/87/32/448068732.db2.gz YUVSOJNGHIRJTC-CALCHBBNSA-N 2 2 343.475 1.823 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000513208582 448158670 /nfs/dbraw/zinc/15/86/70/448158670.db2.gz WVELBNQFQVILCZ-ZHCJQAHYSA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000513208582 448158674 /nfs/dbraw/zinc/15/86/74/448158674.db2.gz WVELBNQFQVILCZ-ZHCJQAHYSA-N 2 2 325.497 1.671 20 0 EDADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000505733847 448124949 /nfs/dbraw/zinc/12/49/49/448124949.db2.gz OJJQEMMCALLGBF-SJLPKXTDSA-N 2 2 348.491 1.618 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(C)[nH+]1 ZINC000531786316 448143353 /nfs/dbraw/zinc/14/33/53/448143353.db2.gz NVQMMEVSOIVMIJ-UHFFFAOYSA-N 2 2 332.448 1.970 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c(C)[nH+]1 ZINC000531786316 448143356 /nfs/dbraw/zinc/14/33/56/448143356.db2.gz NVQMMEVSOIVMIJ-UHFFFAOYSA-N 2 2 332.448 1.970 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)cn1 ZINC000571394995 448145187 /nfs/dbraw/zinc/14/51/87/448145187.db2.gz KNFFVIYGQYDNKN-MRXNPFEDSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)cn1 ZINC000571394995 448145192 /nfs/dbraw/zinc/14/51/92/448145192.db2.gz KNFFVIYGQYDNKN-MRXNPFEDSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571413972 448149972 /nfs/dbraw/zinc/14/99/72/448149972.db2.gz CNTLLRVPHGPAHB-ZDUSSCGKSA-N 2 2 348.451 1.079 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000571433369 448153851 /nfs/dbraw/zinc/15/38/51/448153851.db2.gz ZWRNWBXUCWLHNA-QIIPPGSGSA-N 2 2 329.444 1.980 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000571433369 448153854 /nfs/dbraw/zinc/15/38/54/448153854.db2.gz ZWRNWBXUCWLHNA-QIIPPGSGSA-N 2 2 329.444 1.980 20 0 EDADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000532021826 448184315 /nfs/dbraw/zinc/18/43/15/448184315.db2.gz DYIRYDVXLDBQCR-WMLDXEAASA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000532021826 448184318 /nfs/dbraw/zinc/18/43/18/448184318.db2.gz DYIRYDVXLDBQCR-WMLDXEAASA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N(C)C)nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000532021826 448184321 /nfs/dbraw/zinc/18/43/21/448184321.db2.gz DYIRYDVXLDBQCR-WMLDXEAASA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N(C)C)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[nH+]1 ZINC000532021826 448184323 /nfs/dbraw/zinc/18/43/23/448184323.db2.gz DYIRYDVXLDBQCR-WMLDXEAASA-N 2 2 340.475 2.569 20 0 EDADLP CC(C)(C)OC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000591020942 448235382 /nfs/dbraw/zinc/23/53/82/448235382.db2.gz FPQLLIIILGBGJB-CQSZACIVSA-N 2 2 325.453 1.132 20 0 EDADLP CC(C)(C)OC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000591020942 448235384 /nfs/dbraw/zinc/23/53/84/448235384.db2.gz FPQLLIIILGBGJB-CQSZACIVSA-N 2 2 325.453 1.132 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000582428678 448237717 /nfs/dbraw/zinc/23/77/17/448237717.db2.gz WFEZMNARHQSEJG-PBHICJAKSA-N 2 2 326.444 1.705 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCc1cccc2cccnc21 ZINC000582428678 448237724 /nfs/dbraw/zinc/23/77/24/448237724.db2.gz WFEZMNARHQSEJG-PBHICJAKSA-N 2 2 326.444 1.705 20 0 EDADLP C[C@@H]1CN(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000532215363 448216421 /nfs/dbraw/zinc/21/64/21/448216421.db2.gz XAGBOLZRERVFKJ-LMMKCTJWSA-N 2 2 332.492 1.602 20 0 EDADLP C[C@@H]1CN(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000532215363 448216425 /nfs/dbraw/zinc/21/64/25/448216425.db2.gz XAGBOLZRERVFKJ-LMMKCTJWSA-N 2 2 332.492 1.602 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514924345 448225330 /nfs/dbraw/zinc/22/53/30/448225330.db2.gz CDKDTULCESCUOI-BYCMXARLSA-N 2 2 340.830 1.967 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514924345 448225332 /nfs/dbraw/zinc/22/53/32/448225332.db2.gz CDKDTULCESCUOI-BYCMXARLSA-N 2 2 340.830 1.967 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1Br ZINC000577267709 448251704 /nfs/dbraw/zinc/25/17/04/448251704.db2.gz TYPHXACFPIAOKR-LBPRGKRZSA-N 2 2 341.253 1.864 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Br ZINC000577267709 448251709 /nfs/dbraw/zinc/25/17/09/448251709.db2.gz TYPHXACFPIAOKR-LBPRGKRZSA-N 2 2 341.253 1.864 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000582485664 448251891 /nfs/dbraw/zinc/25/18/91/448251891.db2.gz YHTDGFWKMDABJU-INIZCTEOSA-N 2 2 326.400 1.858 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000572167395 448306606 /nfs/dbraw/zinc/30/66/06/448306606.db2.gz DOROHPMLMGAZEM-UXHICEINSA-N 3 2 331.504 1.945 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000572167395 448306613 /nfs/dbraw/zinc/30/66/13/448306613.db2.gz DOROHPMLMGAZEM-UXHICEINSA-N 3 2 331.504 1.945 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000572167395 448306618 /nfs/dbraw/zinc/30/66/18/448306618.db2.gz DOROHPMLMGAZEM-UXHICEINSA-N 3 2 331.504 1.945 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000572167395 448306624 /nfs/dbraw/zinc/30/66/24/448306624.db2.gz DOROHPMLMGAZEM-UXHICEINSA-N 3 2 331.504 1.945 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000532653850 448291636 /nfs/dbraw/zinc/29/16/36/448291636.db2.gz YQEIFWNDYMNYDZ-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000532653850 448291638 /nfs/dbraw/zinc/29/16/38/448291638.db2.gz YQEIFWNDYMNYDZ-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000532653850 448291646 /nfs/dbraw/zinc/29/16/46/448291646.db2.gz YQEIFWNDYMNYDZ-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000532653850 448291650 /nfs/dbraw/zinc/29/16/50/448291650.db2.gz YQEIFWNDYMNYDZ-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCn3cc[nH+]c3C)CC2)CC1 ZINC000572132825 448297339 /nfs/dbraw/zinc/29/73/39/448297339.db2.gz PCFGVNORPMUCJE-UHFFFAOYSA-N 3 2 347.507 1.504 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C3([NH3+])CCC3)CC2)c1 ZINC000572153361 448303794 /nfs/dbraw/zinc/30/37/94/448303794.db2.gz SCWRKDISELSMBC-UHFFFAOYSA-N 2 2 333.432 1.229 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)CCCn3cc[nH+]c3)CC2)c1 ZINC000591279212 448305032 /nfs/dbraw/zinc/30/50/32/448305032.db2.gz JUBQQKIXKZKSQS-UHFFFAOYSA-N 2 2 329.404 1.416 20 0 EDADLP CS(=O)(=O)N1CC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000577641386 448350405 /nfs/dbraw/zinc/35/04/05/448350405.db2.gz HDGRYIRNAKWHHA-LBPRGKRZSA-N 2 2 343.415 1.027 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000591421965 448357718 /nfs/dbraw/zinc/35/77/18/448357718.db2.gz KNISLJZJROHUKS-MRXNPFEDSA-N 2 2 345.443 1.054 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000591421965 448357719 /nfs/dbraw/zinc/35/77/19/448357719.db2.gz KNISLJZJROHUKS-MRXNPFEDSA-N 2 2 345.443 1.054 20 0 EDADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000577723887 448368307 /nfs/dbraw/zinc/36/83/07/448368307.db2.gz IPTWUCKOUOBQJV-SFHVURJKSA-N 3 2 347.507 1.313 20 0 EDADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000577723887 448368312 /nfs/dbraw/zinc/36/83/12/448368312.db2.gz IPTWUCKOUOBQJV-SFHVURJKSA-N 3 2 347.507 1.313 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000582767758 448332270 /nfs/dbraw/zinc/33/22/70/448332270.db2.gz ISLJYSUKNRUNFQ-CQSZACIVSA-N 2 2 329.404 1.216 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000582767758 448332274 /nfs/dbraw/zinc/33/22/74/448332274.db2.gz ISLJYSUKNRUNFQ-CQSZACIVSA-N 2 2 329.404 1.216 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3[nH]ncc32)CC1 ZINC000516207658 448398031 /nfs/dbraw/zinc/39/80/31/448398031.db2.gz OSDSDGPMPNVVLD-UHFFFAOYSA-N 2 2 336.399 1.962 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccccc1 ZINC000577844016 448400843 /nfs/dbraw/zinc/40/08/43/448400843.db2.gz IGCVMQIPXAUIQG-UHFFFAOYSA-N 2 2 346.475 1.135 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NCC1CC[NH2+]CC1)c1ccccc1 ZINC000577844016 448400847 /nfs/dbraw/zinc/40/08/47/448400847.db2.gz IGCVMQIPXAUIQG-UHFFFAOYSA-N 2 2 346.475 1.135 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOc2ccc(F)cc2F)C[C@H](C)O1 ZINC000577947544 448423466 /nfs/dbraw/zinc/42/34/66/448423466.db2.gz KOLTXUUVWGWZAK-VNHYZAJKSA-N 2 2 344.402 1.403 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOc2ccc(F)cc2F)C[C@H](C)O1 ZINC000577947544 448423469 /nfs/dbraw/zinc/42/34/69/448423469.db2.gz KOLTXUUVWGWZAK-VNHYZAJKSA-N 2 2 344.402 1.403 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000516554547 448436499 /nfs/dbraw/zinc/43/64/99/448436499.db2.gz OCOAPCXMPOUFMH-AWEZNQCLSA-N 2 2 341.415 1.411 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000578063842 448451538 /nfs/dbraw/zinc/45/15/38/448451538.db2.gz AXWNQEOLEODCGG-XVSDVWIESA-N 2 2 332.444 1.701 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000578063842 448451543 /nfs/dbraw/zinc/45/15/43/448451543.db2.gz AXWNQEOLEODCGG-XVSDVWIESA-N 2 2 332.444 1.701 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000572732963 448451939 /nfs/dbraw/zinc/45/19/39/448451939.db2.gz VONFYTOCIQJKQM-ZDUSSCGKSA-N 2 2 338.452 1.320 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000572732963 448451945 /nfs/dbraw/zinc/45/19/45/448451945.db2.gz VONFYTOCIQJKQM-ZDUSSCGKSA-N 2 2 338.452 1.320 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000578187233 448480288 /nfs/dbraw/zinc/48/02/88/448480288.db2.gz VVSMAXSBOKVOOG-RPVQJOFSSA-N 2 2 347.459 1.600 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000578187233 448480294 /nfs/dbraw/zinc/48/02/94/448480294.db2.gz VVSMAXSBOKVOOG-RPVQJOFSSA-N 2 2 347.459 1.600 20 0 EDADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000572856189 448482446 /nfs/dbraw/zinc/48/24/46/448482446.db2.gz CPNUCWJATVDEDG-TZMCWYRMSA-N 2 2 340.855 1.392 20 0 EDADLP CC(C)SCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000535231794 448491000 /nfs/dbraw/zinc/49/10/00/448491000.db2.gz UYSJNDCMSRJMLT-XYPWUTKMSA-N 2 2 325.522 1.897 20 0 EDADLP CC(C)SCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000535231794 448491006 /nfs/dbraw/zinc/49/10/06/448491006.db2.gz UYSJNDCMSRJMLT-XYPWUTKMSA-N 2 2 325.522 1.897 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862903 448472350 /nfs/dbraw/zinc/47/23/50/448472350.db2.gz QURGLAZAHZUIRD-ZDUSSCGKSA-N 2 2 347.463 1.971 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000578145902 448472818 /nfs/dbraw/zinc/47/28/18/448472818.db2.gz VBCSFAYRVLWYOX-UHFFFAOYSA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000578145902 448472821 /nfs/dbraw/zinc/47/28/21/448472821.db2.gz VBCSFAYRVLWYOX-UHFFFAOYSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000572971254 448510425 /nfs/dbraw/zinc/51/04/25/448510425.db2.gz RFAFPZKFOHDPOW-GJZGRUSLSA-N 2 2 334.439 1.286 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000572971254 448510430 /nfs/dbraw/zinc/51/04/30/448510430.db2.gz RFAFPZKFOHDPOW-GJZGRUSLSA-N 2 2 334.439 1.286 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3([S@@](C)=O)CC3)c2cc1C ZINC000572992909 448517098 /nfs/dbraw/zinc/51/70/98/448517098.db2.gz GFVVCGVUEGMWFH-QKFKETGDSA-N 2 2 335.473 1.515 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(C)c1 ZINC000517030527 448527938 /nfs/dbraw/zinc/52/79/38/448527938.db2.gz PTMHYMWJUBCEFZ-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(C)c1 ZINC000517030527 448527942 /nfs/dbraw/zinc/52/79/42/448527942.db2.gz PTMHYMWJUBCEFZ-ZWKOTPCHSA-N 2 2 336.476 1.480 20 0 EDADLP COCCOC[C@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000566851465 448570754 /nfs/dbraw/zinc/57/07/54/448570754.db2.gz XICUFLUCZIBJCG-JKSUJKDBSA-N 2 2 335.448 1.655 20 0 EDADLP c1n[nH]c2c1CCC[C@@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000536849656 448544347 /nfs/dbraw/zinc/54/43/47/448544347.db2.gz BQBBKDNNZJITAQ-KRWDZBQOSA-N 2 2 333.480 1.173 20 0 EDADLP CC(C)c1nc(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000566732596 448547845 /nfs/dbraw/zinc/54/78/45/448547845.db2.gz CWBDKWZDXNCEQX-FMKPAKJESA-N 2 2 341.521 1.869 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584728017 448612275 /nfs/dbraw/zinc/61/22/75/448612275.db2.gz XHQCVQNDGNBLNS-FUHWJXTLSA-N 3 2 330.476 1.142 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000584728017 448612283 /nfs/dbraw/zinc/61/22/83/448612283.db2.gz XHQCVQNDGNBLNS-FUHWJXTLSA-N 3 2 330.476 1.142 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000573403830 448616630 /nfs/dbraw/zinc/61/66/30/448616630.db2.gz KDNZWWYXUQBDND-MRXNPFEDSA-N 2 2 346.475 1.518 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000573403830 448616636 /nfs/dbraw/zinc/61/66/36/448616636.db2.gz KDNZWWYXUQBDND-MRXNPFEDSA-N 2 2 346.475 1.518 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000528561333 448588930 /nfs/dbraw/zinc/58/89/30/448588930.db2.gz QJHAWCHXPHVKRG-DLTWYDFYSA-N 2 2 325.497 1.530 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528561333 448588937 /nfs/dbraw/zinc/58/89/37/448588937.db2.gz QJHAWCHXPHVKRG-DLTWYDFYSA-N 2 2 325.497 1.530 20 0 EDADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000566947839 448589500 /nfs/dbraw/zinc/58/95/00/448589500.db2.gz ZTHFESFAWIOBBI-KFWWJZLASA-N 2 2 331.464 1.722 20 0 EDADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[N@H+]1C1CC1 ZINC000566947839 448589507 /nfs/dbraw/zinc/58/95/07/448589507.db2.gz ZTHFESFAWIOBBI-KFWWJZLASA-N 2 2 331.464 1.722 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000517536009 448589528 /nfs/dbraw/zinc/58/95/28/448589528.db2.gz UQRXOKVOQAHJJH-HNNXBMFYSA-N 2 2 332.448 1.565 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)C[C@@H](C)O1 ZINC000573318352 448597475 /nfs/dbraw/zinc/59/74/75/448597475.db2.gz XFMNKCGQSWPYNL-YRGRVCCFSA-N 2 2 346.393 1.706 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000573562525 448658759 /nfs/dbraw/zinc/65/87/59/448658759.db2.gz MZAMXZZPLRRVLT-MRXNPFEDSA-N 2 2 344.484 1.378 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC[N@@H+]1CCOC ZINC000578991462 448687534 /nfs/dbraw/zinc/68/75/34/448687534.db2.gz CDXWMTQAVFVFRV-QAPCUYQASA-N 2 2 349.475 1.654 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC[N@H+]1CCOC ZINC000578991462 448687541 /nfs/dbraw/zinc/68/75/41/448687541.db2.gz CDXWMTQAVFVFRV-QAPCUYQASA-N 2 2 349.475 1.654 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000518733165 448702809 /nfs/dbraw/zinc/70/28/09/448702809.db2.gz VJDFJIOCPZMYTM-RYQLBKOJSA-N 2 2 346.475 1.266 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000518733165 448702812 /nfs/dbraw/zinc/70/28/12/448702812.db2.gz VJDFJIOCPZMYTM-RYQLBKOJSA-N 2 2 346.475 1.266 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000519109139 448742203 /nfs/dbraw/zinc/74/22/03/448742203.db2.gz VGTKGTFMUDSACO-RDJZCZTQSA-N 2 2 331.464 1.564 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000519109139 448742208 /nfs/dbraw/zinc/74/22/08/448742208.db2.gz VGTKGTFMUDSACO-RDJZCZTQSA-N 2 2 331.464 1.564 20 0 EDADLP Cc1cccc(OCCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1C ZINC000519120196 448743432 /nfs/dbraw/zinc/74/34/32/448743432.db2.gz YZIKHJNLEDLYOO-INIZCTEOSA-N 2 2 334.464 1.357 20 0 EDADLP Cc1cccc(OCCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1C ZINC000519120196 448743436 /nfs/dbraw/zinc/74/34/36/448743436.db2.gz YZIKHJNLEDLYOO-INIZCTEOSA-N 2 2 334.464 1.357 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NC3CC[NH+](C)CC3)c2)cc[nH+]1 ZINC000544533463 448760840 /nfs/dbraw/zinc/76/08/40/448760840.db2.gz LGVQTLJQZRJIPM-UHFFFAOYSA-N 2 2 339.443 2.221 20 0 EDADLP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574192298 448815041 /nfs/dbraw/zinc/81/50/41/448815041.db2.gz XIQSUZCLWALIOC-SOLBZPMBSA-N 3 2 327.513 1.168 20 0 EDADLP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574192298 448815045 /nfs/dbraw/zinc/81/50/45/448815045.db2.gz XIQSUZCLWALIOC-SOLBZPMBSA-N 3 2 327.513 1.168 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c[nH+]2)CC1 ZINC000529287250 448807027 /nfs/dbraw/zinc/80/70/27/448807027.db2.gz PXUFWMAPZCWREU-INIZCTEOSA-N 2 2 347.463 1.106 20 0 EDADLP CCn1cc[nH+]c1CNc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000567828704 448770635 /nfs/dbraw/zinc/77/06/35/448770635.db2.gz PTLODXWPLPSQDV-UHFFFAOYSA-N 2 2 341.419 2.175 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000567852620 448774702 /nfs/dbraw/zinc/77/47/02/448774702.db2.gz AOKHUIDHSMXCOX-KRWDZBQOSA-N 2 2 330.407 1.883 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000567852620 448774707 /nfs/dbraw/zinc/77/47/07/448774707.db2.gz AOKHUIDHSMXCOX-KRWDZBQOSA-N 2 2 330.407 1.883 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000519576931 448788162 /nfs/dbraw/zinc/78/81/62/448788162.db2.gz ILLFIKZTMSPGBM-PBHICJAKSA-N 2 2 341.459 1.955 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000519576931 448788168 /nfs/dbraw/zinc/78/81/68/448788168.db2.gz ILLFIKZTMSPGBM-PBHICJAKSA-N 2 2 341.459 1.955 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000579439520 448791679 /nfs/dbraw/zinc/79/16/79/448791679.db2.gz OPMDIHQSBRLGLR-GJZGRUSLSA-N 2 2 335.452 1.346 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2OCC(F)F)[C@H](C[NH3+])C1 ZINC000579450020 448794938 /nfs/dbraw/zinc/79/49/38/448794938.db2.gz XRFUBZDEPSDUHJ-LLVKDONJSA-N 2 2 346.353 1.576 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2OCC(F)F)[C@H](C[NH3+])C1 ZINC000579450020 448794942 /nfs/dbraw/zinc/79/49/42/448794942.db2.gz XRFUBZDEPSDUHJ-LLVKDONJSA-N 2 2 346.353 1.576 20 0 EDADLP O=C1NC(=O)[C@]2(CCC[N@H+](Cc3c[nH+]cn3Cc3ccccc3)C2)N1 ZINC000568009815 448799893 /nfs/dbraw/zinc/79/98/93/448799893.db2.gz RONOUQXSQQOCPO-GOSISDBHSA-N 2 2 339.399 1.105 20 0 EDADLP O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3c[nH+]cn3Cc3ccccc3)C2)N1 ZINC000568009815 448799894 /nfs/dbraw/zinc/79/98/94/448799894.db2.gz RONOUQXSQQOCPO-GOSISDBHSA-N 2 2 339.399 1.105 20 0 EDADLP CC(C)C(=O)Nc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000579567727 448822680 /nfs/dbraw/zinc/82/26/80/448822680.db2.gz YLARBQZNCCVBCI-HNNXBMFYSA-N 2 2 333.436 1.388 20 0 EDADLP CC(C)C(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000579567727 448822685 /nfs/dbraw/zinc/82/26/85/448822685.db2.gz YLARBQZNCCVBCI-HNNXBMFYSA-N 2 2 333.436 1.388 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000568215414 448840107 /nfs/dbraw/zinc/84/01/07/448840107.db2.gz UVHISTGJBGJZKK-OAHLLOKOSA-N 2 2 332.448 1.394 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000519821319 448852521 /nfs/dbraw/zinc/85/25/21/448852521.db2.gz FIUFQIGQYXRJSL-VHSXEESVSA-N 2 2 346.294 1.715 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000519821319 448852523 /nfs/dbraw/zinc/85/25/23/448852523.db2.gz FIUFQIGQYXRJSL-VHSXEESVSA-N 2 2 346.294 1.715 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N(C)c2ccccc2C(=O)OC)CC[C@H]1[NH3+] ZINC000592489682 448859438 /nfs/dbraw/zinc/85/94/38/448859438.db2.gz ZPOWSGIYIBIOKN-UKRRQHHQSA-N 2 2 333.432 1.495 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccccc2C(=O)OC)CC[C@H]1[NH3+] ZINC000592489682 448859440 /nfs/dbraw/zinc/85/94/40/448859440.db2.gz ZPOWSGIYIBIOKN-UKRRQHHQSA-N 2 2 333.432 1.495 20 0 EDADLP Cc1[nH]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[nH+]c1C ZINC000579973840 448927561 /nfs/dbraw/zinc/92/75/61/448927561.db2.gz NGWWGVHSYDFPGG-QZTJIDSGSA-N 2 2 328.460 1.999 20 0 EDADLP Cc1[nH]c(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[nH+]c1C ZINC000579973840 448927563 /nfs/dbraw/zinc/92/75/63/448927563.db2.gz NGWWGVHSYDFPGG-QZTJIDSGSA-N 2 2 328.460 1.999 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccc(OC(C)(C)C)n2)[C@H](C[NH3+])C1 ZINC000520771032 448928526 /nfs/dbraw/zinc/92/85/26/448928526.db2.gz JXOQJOIRZUNGSK-CQSZACIVSA-N 2 2 335.452 1.043 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(OC(C)(C)C)n2)[C@H](C[NH3+])C1 ZINC000520771032 448928530 /nfs/dbraw/zinc/92/85/30/448928530.db2.gz JXOQJOIRZUNGSK-CQSZACIVSA-N 2 2 335.452 1.043 20 0 EDADLP CCOC(=O)c1sc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1C ZINC000520368238 448888560 /nfs/dbraw/zinc/88/85/60/448888560.db2.gz CYYXGLBJCFLPFQ-LLVKDONJSA-N 2 2 340.449 1.340 20 0 EDADLP CCOC(=O)c1sc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1C ZINC000520368238 448888564 /nfs/dbraw/zinc/88/85/64/448888564.db2.gz CYYXGLBJCFLPFQ-LLVKDONJSA-N 2 2 340.449 1.340 20 0 EDADLP CN(C)c1ccc(Cl)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574904677 448985999 /nfs/dbraw/zinc/98/59/99/448985999.db2.gz AFSMYSOWEACBCL-GFCCVEGCSA-N 2 2 325.844 1.513 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)N1CC[NH+](C)CC1 ZINC000574723901 448940906 /nfs/dbraw/zinc/94/09/06/448940906.db2.gz MRHZIBQDZAPFTB-CQSZACIVSA-N 2 2 341.459 1.875 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000574954409 448996306 /nfs/dbraw/zinc/99/63/06/448996306.db2.gz VXLNEGZWXGKCNW-MRXNPFEDSA-N 2 2 346.479 1.254 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000574954409 448996309 /nfs/dbraw/zinc/99/63/09/448996309.db2.gz VXLNEGZWXGKCNW-MRXNPFEDSA-N 2 2 346.479 1.254 20 0 EDADLP Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000521583180 448997552 /nfs/dbraw/zinc/99/75/52/448997552.db2.gz LAPRBRHFESWCNR-HNNXBMFYSA-N 2 2 347.463 1.696 20 0 EDADLP Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000521583180 448997557 /nfs/dbraw/zinc/99/75/57/448997557.db2.gz LAPRBRHFESWCNR-HNNXBMFYSA-N 2 2 347.463 1.696 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000582107153 449011799 /nfs/dbraw/zinc/01/17/99/449011799.db2.gz OOWYKJGBGGDDJG-QAPCUYQASA-N 2 2 341.459 1.782 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000582107153 449011801 /nfs/dbraw/zinc/01/18/01/449011801.db2.gz OOWYKJGBGGDDJG-QAPCUYQASA-N 2 2 341.459 1.782 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000521827670 449014719 /nfs/dbraw/zinc/01/47/19/449014719.db2.gz LZDDRIIDFLUGOU-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000521827670 449014723 /nfs/dbraw/zinc/01/47/23/449014723.db2.gz LZDDRIIDFLUGOU-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000521827670 449014728 /nfs/dbraw/zinc/01/47/28/449014728.db2.gz LZDDRIIDFLUGOU-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000521827670 449014730 /nfs/dbraw/zinc/01/47/30/449014730.db2.gz LZDDRIIDFLUGOU-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)CCCO1 ZINC000521834658 449016078 /nfs/dbraw/zinc/01/60/78/449016078.db2.gz ISBVOUIDUOLAJC-KRWDZBQOSA-N 2 2 347.459 1.237 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)CCCO1 ZINC000521834658 449016082 /nfs/dbraw/zinc/01/60/82/449016082.db2.gz ISBVOUIDUOLAJC-KRWDZBQOSA-N 2 2 347.459 1.237 20 0 EDADLP Cn1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000521843567 449017547 /nfs/dbraw/zinc/01/75/47/449017547.db2.gz REBZIFHCMBRPCA-KRWDZBQOSA-N 2 2 341.459 1.407 20 0 EDADLP Cn1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000521843567 449017552 /nfs/dbraw/zinc/01/75/52/449017552.db2.gz REBZIFHCMBRPCA-KRWDZBQOSA-N 2 2 341.459 1.407 20 0 EDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc(F)c(Cl)cc2F)CC1 ZINC000574912632 448988429 /nfs/dbraw/zinc/98/84/29/448988429.db2.gz QAFVPILXPDJBKF-LBPRGKRZSA-N 2 2 333.810 1.316 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000582349522 449071256 /nfs/dbraw/zinc/07/12/56/449071256.db2.gz AGVZQCRXKVNYPZ-QZTJIDSGSA-N 2 2 339.443 1.682 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000575354482 449083771 /nfs/dbraw/zinc/08/37/71/449083771.db2.gz UOBVBDGTMZMPQP-ZDUSSCGKSA-N 2 2 342.390 1.115 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000575354482 449083775 /nfs/dbraw/zinc/08/37/75/449083775.db2.gz UOBVBDGTMZMPQP-ZDUSSCGKSA-N 2 2 342.390 1.115 20 0 EDADLP Cc1oc2ccccc2c1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000575108447 449037150 /nfs/dbraw/zinc/03/71/50/449037150.db2.gz JQLOHSPADGEDDT-AWEZNQCLSA-N 2 2 330.432 1.568 20 0 EDADLP Cc1oc2ccccc2c1CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000575108447 449037158 /nfs/dbraw/zinc/03/71/58/449037158.db2.gz JQLOHSPADGEDDT-AWEZNQCLSA-N 2 2 330.432 1.568 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000569575987 449048569 /nfs/dbraw/zinc/04/85/69/449048569.db2.gz AUQOOBPIXXEITQ-NXHRZFHOSA-N 2 2 346.475 1.357 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(OC)cccc3OC)C2)CC1 ZINC000589820299 449064270 /nfs/dbraw/zinc/06/42/70/449064270.db2.gz LNXAWSGITSNACW-INIZCTEOSA-N 2 2 333.476 1.916 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(OC)cccc3OC)C2)CC1 ZINC000589820299 449064274 /nfs/dbraw/zinc/06/42/74/449064274.db2.gz LNXAWSGITSNACW-INIZCTEOSA-N 2 2 333.476 1.916 20 0 EDADLP CC(C)C[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000548609895 449067285 /nfs/dbraw/zinc/06/72/85/449067285.db2.gz CLCGEWNZGRWMJI-HZPDHXFCSA-N 2 2 349.479 1.244 20 0 EDADLP COC[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604208241 449192123 /nfs/dbraw/zinc/19/21/23/449192123.db2.gz IEXUDVHVPYPKPQ-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP COC[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604208241 449192127 /nfs/dbraw/zinc/19/21/27/449192127.db2.gz IEXUDVHVPYPKPQ-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP COC(=O)[C@H]([N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1(OC)CCC1 ZINC000595906337 449244634 /nfs/dbraw/zinc/24/46/34/449244634.db2.gz JTCPRMYRGKLWOX-GJZGRUSLSA-N 2 2 328.453 1.140 20 0 EDADLP COC(=O)[C@H]([N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1(OC)CCC1 ZINC000595906337 449244638 /nfs/dbraw/zinc/24/46/38/449244638.db2.gz JTCPRMYRGKLWOX-GJZGRUSLSA-N 2 2 328.453 1.140 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595909945 449247720 /nfs/dbraw/zinc/24/77/20/449247720.db2.gz AJJVZGDNLIGLIQ-CHWSQXEVSA-N 2 2 341.477 1.422 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595909945 449247725 /nfs/dbraw/zinc/24/77/25/449247725.db2.gz AJJVZGDNLIGLIQ-CHWSQXEVSA-N 2 2 341.477 1.422 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595909945 449247732 /nfs/dbraw/zinc/24/77/32/449247732.db2.gz AJJVZGDNLIGLIQ-CHWSQXEVSA-N 2 2 341.477 1.422 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595909945 449247736 /nfs/dbraw/zinc/24/77/36/449247736.db2.gz AJJVZGDNLIGLIQ-CHWSQXEVSA-N 2 2 341.477 1.422 20 0 EDADLP COC(=O)c1sc2ccccc2c1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593904041 449274161 /nfs/dbraw/zinc/27/41/61/449274161.db2.gz QHBXQCCJCMMRCZ-ZDUSSCGKSA-N 2 2 349.456 1.583 20 0 EDADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000602019024 449278241 /nfs/dbraw/zinc/27/82/41/449278241.db2.gz DLECBQCIPPANKT-WMHQRMGPSA-N 2 2 333.432 1.136 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000602106346 449349447 /nfs/dbraw/zinc/34/94/47/449349447.db2.gz GZVBMPXFSWSHSV-AWEZNQCLSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000602106346 449349452 /nfs/dbraw/zinc/34/94/52/449349452.db2.gz GZVBMPXFSWSHSV-AWEZNQCLSA-N 2 2 327.469 1.060 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCCOC(C)(C)C1 ZINC000605000046 449338104 /nfs/dbraw/zinc/33/81/04/449338104.db2.gz JMCFYLQXQDKDCP-MRXNPFEDSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCCOC(C)(C)C1 ZINC000605000046 449338110 /nfs/dbraw/zinc/33/81/10/449338110.db2.gz JMCFYLQXQDKDCP-MRXNPFEDSA-N 2 2 346.475 1.620 20 0 EDADLP Cc1ccn2cc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nc2c1 ZINC000602203075 449430842 /nfs/dbraw/zinc/43/08/42/449430842.db2.gz BYTRSRMAZWAFTF-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1ccn2cc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nc2c1 ZINC000602203075 449430848 /nfs/dbraw/zinc/43/08/48/449430848.db2.gz BYTRSRMAZWAFTF-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614091185 449453616 /nfs/dbraw/zinc/45/36/16/449453616.db2.gz CPBAPIKRIDMONB-HZPDHXFCSA-N 2 2 327.444 1.134 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000606584273 449490015 /nfs/dbraw/zinc/49/00/15/449490015.db2.gz LQSYGCNYKSFKMJ-CQSZACIVSA-N 2 2 343.431 1.957 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000606581876 449490330 /nfs/dbraw/zinc/49/03/30/449490330.db2.gz URFHYXFRHWHLHP-KBPBESRZSA-N 2 2 331.420 1.955 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000594303298 449438974 /nfs/dbraw/zinc/43/89/74/449438974.db2.gz WVAXZBZAEIQXNL-YVSFHVDLSA-N 2 2 340.512 1.658 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000611974070 449499031 /nfs/dbraw/zinc/49/90/31/449499031.db2.gz LYHGSDUSHICUKP-CQSZACIVSA-N 2 2 334.464 1.474 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000611974070 449499038 /nfs/dbraw/zinc/49/90/38/449499038.db2.gz LYHGSDUSHICUKP-CQSZACIVSA-N 2 2 334.464 1.474 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNc2cc(-n3cc[nH+]c3)ncn2)C[C@@H](C)O1 ZINC000607142845 449576758 /nfs/dbraw/zinc/57/67/58/449576758.db2.gz ZJTBBBGALNNRDL-ZIAGYGMSSA-N 2 2 330.436 1.962 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccccc1 ZINC000602397219 449563272 /nfs/dbraw/zinc/56/32/72/449563272.db2.gz XOKISTMYITXKDF-MRXNPFEDSA-N 2 2 327.432 1.903 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000602397219 449563275 /nfs/dbraw/zinc/56/32/75/449563275.db2.gz XOKISTMYITXKDF-MRXNPFEDSA-N 2 2 327.432 1.903 20 0 EDADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC(n2cc[nH+]c2)C1 ZINC000607342216 449598610 /nfs/dbraw/zinc/59/86/10/449598610.db2.gz OXMJZVYMPAUNTL-KRWDZBQOSA-N 2 2 326.400 1.167 20 0 EDADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC(n2cc[nH+]c2)C1 ZINC000607342216 449598613 /nfs/dbraw/zinc/59/86/13/449598613.db2.gz OXMJZVYMPAUNTL-KRWDZBQOSA-N 2 2 326.400 1.167 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607346340 449599495 /nfs/dbraw/zinc/59/94/95/449599495.db2.gz TWALVCZXNFVTEX-UHOSZYNNSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607346340 449599502 /nfs/dbraw/zinc/59/95/02/449599502.db2.gz TWALVCZXNFVTEX-UHOSZYNNSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607346340 449599509 /nfs/dbraw/zinc/59/95/09/449599509.db2.gz TWALVCZXNFVTEX-UHOSZYNNSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607346340 449599515 /nfs/dbraw/zinc/59/95/15/449599515.db2.gz TWALVCZXNFVTEX-UHOSZYNNSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2nc[nH]c2cc1F ZINC000617507574 449657606 /nfs/dbraw/zinc/65/76/06/449657606.db2.gz ATNPPJKAHRKQOU-LBPRGKRZSA-N 2 2 335.427 1.704 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2nc[nH]c2cc1F ZINC000617507574 449657611 /nfs/dbraw/zinc/65/76/11/449657611.db2.gz ATNPPJKAHRKQOU-LBPRGKRZSA-N 2 2 335.427 1.704 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000617507574 449657619 /nfs/dbraw/zinc/65/76/19/449657619.db2.gz ATNPPJKAHRKQOU-LBPRGKRZSA-N 2 2 335.427 1.704 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2[nH]cnc2cc1F ZINC000617507574 449657625 /nfs/dbraw/zinc/65/76/25/449657625.db2.gz ATNPPJKAHRKQOU-LBPRGKRZSA-N 2 2 335.427 1.704 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000601002648 449647362 /nfs/dbraw/zinc/64/73/62/449647362.db2.gz WQMWWWDMRPAOSW-KRWDZBQOSA-N 2 2 347.507 1.983 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000601002648 449647367 /nfs/dbraw/zinc/64/73/67/449647367.db2.gz WQMWWWDMRPAOSW-KRWDZBQOSA-N 2 2 347.507 1.983 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)[C@H]1C[NH+]2CCC1CC2 ZINC000602752394 449786196 /nfs/dbraw/zinc/78/61/96/449786196.db2.gz OQUWIJZLHZZATD-SFHVURJKSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+](C)[C@H]1C[NH+]2CCC1CC2 ZINC000602752394 449786198 /nfs/dbraw/zinc/78/61/98/449786198.db2.gz OQUWIJZLHZZATD-SFHVURJKSA-N 2 2 348.491 1.978 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614662742 449746142 /nfs/dbraw/zinc/74/61/42/449746142.db2.gz GXRIACBWJNXXHP-ZIAGYGMSSA-N 2 2 337.468 1.565 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614662742 449746145 /nfs/dbraw/zinc/74/61/45/449746145.db2.gz GXRIACBWJNXXHP-ZIAGYGMSSA-N 2 2 337.468 1.565 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617704048 449751916 /nfs/dbraw/zinc/75/19/16/449751916.db2.gz UWTLFQHJVMSUTM-INIZCTEOSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617704048 449751919 /nfs/dbraw/zinc/75/19/19/449751919.db2.gz UWTLFQHJVMSUTM-INIZCTEOSA-N 2 2 328.416 1.225 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000594914774 449805837 /nfs/dbraw/zinc/80/58/37/449805837.db2.gz LAAJITGUFUZLMR-OKDNKWQNSA-N 2 2 332.444 1.193 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000594914774 449805843 /nfs/dbraw/zinc/80/58/43/449805843.db2.gz LAAJITGUFUZLMR-OKDNKWQNSA-N 2 2 332.444 1.193 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000608361357 449818263 /nfs/dbraw/zinc/81/82/63/449818263.db2.gz OJHDXYGARUONIN-IRXDYDNUSA-N 2 2 334.464 1.840 20 0 EDADLP Cc1c2ccccc2c(=O)[nH]c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763006 449822045 /nfs/dbraw/zinc/82/20/45/449822045.db2.gz ADFWBOQSSLHURG-UHFFFAOYSA-N 2 2 344.459 1.862 20 0 EDADLP Cc1c2ccccc2c(=O)[nH]c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763006 449822057 /nfs/dbraw/zinc/82/20/57/449822057.db2.gz ADFWBOQSSLHURG-UHFFFAOYSA-N 2 2 344.459 1.862 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncc2ccccc2c1O ZINC000617762815 449822327 /nfs/dbraw/zinc/82/23/27/449822327.db2.gz ZPDSWKXVYPBGGT-UHFFFAOYSA-N 2 2 330.432 1.554 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncc2ccccc2c1O ZINC000617762815 449822332 /nfs/dbraw/zinc/82/23/32/449822332.db2.gz ZPDSWKXVYPBGGT-UHFFFAOYSA-N 2 2 330.432 1.554 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(-c2ccncc2)s1 ZINC000617766210 449828791 /nfs/dbraw/zinc/82/87/91/449828791.db2.gz BVFSRGWQIVIELE-UHFFFAOYSA-N 2 2 347.488 1.818 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(-c2ccncc2)s1 ZINC000617766210 449828796 /nfs/dbraw/zinc/82/87/96/449828796.db2.gz BVFSRGWQIVIELE-UHFFFAOYSA-N 2 2 347.488 1.818 20 0 EDADLP Cc1nn(C(F)F)c(C)c1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767035 449829769 /nfs/dbraw/zinc/82/97/69/449829769.db2.gz DGEXQMJFOMJMEL-UHFFFAOYSA-N 2 2 345.438 1.437 20 0 EDADLP Cc1nn(C(F)F)c(C)c1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767035 449829774 /nfs/dbraw/zinc/82/97/74/449829774.db2.gz DGEXQMJFOMJMEL-UHFFFAOYSA-N 2 2 345.438 1.437 20 0 EDADLP COc1ccc2c(c1)OC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C2 ZINC000617767100 449831744 /nfs/dbraw/zinc/83/17/44/449831744.db2.gz GZNYBDMFGPYAGN-MRXNPFEDSA-N 2 2 349.475 1.246 20 0 EDADLP COc1ccc2c(c1)OC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2 ZINC000617767100 449831746 /nfs/dbraw/zinc/83/17/46/449831746.db2.gz GZNYBDMFGPYAGN-MRXNPFEDSA-N 2 2 349.475 1.246 20 0 EDADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1-c1ccccc1 ZINC000617767317 449832123 /nfs/dbraw/zinc/83/21/23/449832123.db2.gz OYHFAGGSHSVJBP-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1-c1ccccc1 ZINC000617767317 449832130 /nfs/dbraw/zinc/83/21/30/449832130.db2.gz OYHFAGGSHSVJBP-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594989910 449832444 /nfs/dbraw/zinc/83/24/44/449832444.db2.gz RKFNPDIMVRYFTR-GFCCVEGCSA-N 2 2 345.369 1.729 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594989910 449832451 /nfs/dbraw/zinc/83/24/51/449832451.db2.gz RKFNPDIMVRYFTR-GFCCVEGCSA-N 2 2 345.369 1.729 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2ccccc2[nH]c1=O ZINC000617767984 449833501 /nfs/dbraw/zinc/83/35/01/449833501.db2.gz KRMMMLNWGDADFM-UHFFFAOYSA-N 2 2 330.432 1.554 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2ccccc2[nH]c1=O ZINC000617767984 449833506 /nfs/dbraw/zinc/83/35/06/449833506.db2.gz KRMMMLNWGDADFM-UHFFFAOYSA-N 2 2 330.432 1.554 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000617768803 449833979 /nfs/dbraw/zinc/83/39/79/449833979.db2.gz VMWAXUGZYNKIKR-UHFFFAOYSA-N 2 2 346.475 1.427 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000617768803 449833984 /nfs/dbraw/zinc/83/39/84/449833984.db2.gz VMWAXUGZYNKIKR-UHFFFAOYSA-N 2 2 346.475 1.427 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000617731181 449792425 /nfs/dbraw/zinc/79/24/25/449792425.db2.gz WNJJURVDMGSBJA-OLZOCXBDSA-N 2 2 325.478 1.649 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000617731181 449792434 /nfs/dbraw/zinc/79/24/34/449792434.db2.gz WNJJURVDMGSBJA-OLZOCXBDSA-N 2 2 325.478 1.649 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2sccc2C[NH+](C)C)[C@@H](C)CO1 ZINC000617731183 449793330 /nfs/dbraw/zinc/79/33/30/449793330.db2.gz WNJJURVDMGSBJA-STQMWFEESA-N 2 2 325.478 1.649 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2sccc2C[NH+](C)C)[C@@H](C)CO1 ZINC000617731183 449793333 /nfs/dbraw/zinc/79/33/33/449793333.db2.gz WNJJURVDMGSBJA-STQMWFEESA-N 2 2 325.478 1.649 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199829 449794346 /nfs/dbraw/zinc/79/43/46/449794346.db2.gz RSRFMFBOZKGIJU-AWEZNQCLSA-N 2 2 343.427 1.620 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199829 449794356 /nfs/dbraw/zinc/79/43/56/449794356.db2.gz RSRFMFBOZKGIJU-AWEZNQCLSA-N 2 2 343.427 1.620 20 0 EDADLP CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000612959310 449957576 /nfs/dbraw/zinc/95/75/76/449957576.db2.gz JHCWGRFRDNORGC-ZRSRNVLSSA-N 2 2 349.519 1.674 20 0 EDADLP CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000612959310 449957580 /nfs/dbraw/zinc/95/75/80/449957580.db2.gz JHCWGRFRDNORGC-ZRSRNVLSSA-N 2 2 349.519 1.674 20 0 EDADLP CCn1nc(C)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477400 449999967 /nfs/dbraw/zinc/99/99/67/449999967.db2.gz RVIFDLHJPIIZSV-MRXNPFEDSA-N 2 2 333.480 1.452 20 0 EDADLP CCn1nc(C)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477400 449999973 /nfs/dbraw/zinc/99/99/73/449999973.db2.gz RVIFDLHJPIIZSV-MRXNPFEDSA-N 2 2 333.480 1.452 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH+]1CCCC1 ZINC000597503423 450066463 /nfs/dbraw/zinc/06/64/63/450066463.db2.gz IECSGWGEZALFQI-RRCSTGOVSA-N 2 2 334.489 1.562 20 0 EDADLP CS[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH+]1CCCC1 ZINC000597503425 450066769 /nfs/dbraw/zinc/06/67/69/450066769.db2.gz IECSGWGEZALFQI-XOUADPBQSA-N 2 2 334.489 1.562 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC000618354141 450171296 /nfs/dbraw/zinc/17/12/96/450171296.db2.gz VGJUTQSMPJCVLW-RTBURBONSA-N 2 2 345.487 1.483 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC000618354141 450171298 /nfs/dbraw/zinc/17/12/98/450171298.db2.gz VGJUTQSMPJCVLW-RTBURBONSA-N 2 2 345.487 1.483 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354141 450171303 /nfs/dbraw/zinc/17/13/03/450171303.db2.gz VGJUTQSMPJCVLW-RTBURBONSA-N 2 2 345.487 1.483 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354141 450171307 /nfs/dbraw/zinc/17/13/07/450171307.db2.gz VGJUTQSMPJCVLW-RTBURBONSA-N 2 2 345.487 1.483 20 0 EDADLP C[C@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000619888440 450356538 /nfs/dbraw/zinc/35/65/38/450356538.db2.gz FICQCFJCTZMMHB-IXDOHACOSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000619888440 450356544 /nfs/dbraw/zinc/35/65/44/450356544.db2.gz FICQCFJCTZMMHB-IXDOHACOSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000618985119 450362541 /nfs/dbraw/zinc/36/25/41/450362541.db2.gz DNKIZKGFRIRRFT-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000618985119 450362548 /nfs/dbraw/zinc/36/25/48/450362548.db2.gz DNKIZKGFRIRRFT-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2nccnn2)CC1 ZINC000625644498 450464250 /nfs/dbraw/zinc/46/42/50/450464250.db2.gz NRYUUGBWDVXBNP-UHFFFAOYSA-N 2 2 335.415 1.688 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623493808 450531770 /nfs/dbraw/zinc/53/17/70/450531770.db2.gz SCGNFQXWWVGZPI-XHSDSOJGSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623493808 450531771 /nfs/dbraw/zinc/53/17/71/450531771.db2.gz SCGNFQXWWVGZPI-XHSDSOJGSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623493808 450531774 /nfs/dbraw/zinc/53/17/74/450531774.db2.gz SCGNFQXWWVGZPI-XHSDSOJGSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623493808 450531777 /nfs/dbraw/zinc/53/17/77/450531777.db2.gz SCGNFQXWWVGZPI-XHSDSOJGSA-N 2 2 340.512 1.373 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000623620225 450553303 /nfs/dbraw/zinc/55/33/03/450553303.db2.gz KKSCEJVKWWZSPB-ZDUSSCGKSA-N 2 2 345.365 1.857 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000623620225 450553306 /nfs/dbraw/zinc/55/33/06/450553306.db2.gz KKSCEJVKWWZSPB-ZDUSSCGKSA-N 2 2 345.365 1.857 20 0 EDADLP C[N@H+](C[C@@H](O)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C1CC1 ZINC000626075211 450568623 /nfs/dbraw/zinc/56/86/23/450568623.db2.gz AZUUSRWBJOQWOV-LJQANCHMSA-N 2 2 342.487 1.741 20 0 EDADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C1CC1 ZINC000626075211 450568624 /nfs/dbraw/zinc/56/86/24/450568624.db2.gz AZUUSRWBJOQWOV-LJQANCHMSA-N 2 2 342.487 1.741 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CCOC2CCOCC2)CC1 ZINC000626089854 450573046 /nfs/dbraw/zinc/57/30/46/450573046.db2.gz JWTDEHHBUGYPDC-UHFFFAOYSA-N 2 2 326.481 1.759 20 0 EDADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCOC[C@H]3O)c[nH+]c12 ZINC000623766514 450579751 /nfs/dbraw/zinc/57/97/51/450579751.db2.gz HQPKWQMPJVQZMR-CHWSQXEVSA-N 2 2 340.221 1.645 20 0 EDADLP COC[C@]1(C)C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000626173477 450607805 /nfs/dbraw/zinc/60/78/05/450607805.db2.gz WAXSKKSHOCUYOV-LPHOPBHVSA-N 2 2 347.459 1.751 20 0 EDADLP COC[C@]1(C)C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000626173477 450607814 /nfs/dbraw/zinc/60/78/14/450607814.db2.gz WAXSKKSHOCUYOV-LPHOPBHVSA-N 2 2 347.459 1.751 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000623837758 450611158 /nfs/dbraw/zinc/61/11/58/450611158.db2.gz SMHFRCFFVBLKHR-IBGZPJMESA-N 3 2 346.519 1.375 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000623837758 450611163 /nfs/dbraw/zinc/61/11/63/450611163.db2.gz SMHFRCFFVBLKHR-IBGZPJMESA-N 3 2 346.519 1.375 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000631510509 450629584 /nfs/dbraw/zinc/62/95/84/450629584.db2.gz JVSMVVRQLLDQIS-OAHLLOKOSA-N 2 2 340.427 1.871 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000631491268 450622271 /nfs/dbraw/zinc/62/22/71/450622271.db2.gz CVCPPVQZUZKZOL-CVEARBPZSA-N 2 2 347.507 1.994 20 0 EDADLP CCC1([NH+](C)C)CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000631491268 450622274 /nfs/dbraw/zinc/62/22/74/450622274.db2.gz CVCPPVQZUZKZOL-CVEARBPZSA-N 2 2 347.507 1.994 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCn4nccc43)C2)CC1 ZINC000633041461 450640150 /nfs/dbraw/zinc/64/01/50/450640150.db2.gz DIFJCCXBXAPOTN-GDBMZVCRSA-N 2 2 346.479 1.186 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCn4nccc43)C2)CC1 ZINC000633041461 450640153 /nfs/dbraw/zinc/64/01/53/450640153.db2.gz DIFJCCXBXAPOTN-GDBMZVCRSA-N 2 2 346.479 1.186 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623963064 450652597 /nfs/dbraw/zinc/65/25/97/450652597.db2.gz XEKIDSUJWSNGAB-QGZVFWFLSA-N 2 2 338.459 1.655 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623963064 450652602 /nfs/dbraw/zinc/65/26/02/450652602.db2.gz XEKIDSUJWSNGAB-QGZVFWFLSA-N 2 2 338.459 1.655 20 0 EDADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(N)nc(N)[nH+]1 ZINC000624007832 450668764 /nfs/dbraw/zinc/66/87/64/450668764.db2.gz FYRLTEXFPCCXCM-CQSZACIVSA-N 2 2 327.436 1.045 20 0 EDADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(N)nc(N)[nH+]1 ZINC000624007832 450668770 /nfs/dbraw/zinc/66/87/70/450668770.db2.gz FYRLTEXFPCCXCM-CQSZACIVSA-N 2 2 327.436 1.045 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H](CO)c1ccnn1C ZINC000624018299 450670354 /nfs/dbraw/zinc/67/03/54/450670354.db2.gz PQLWYWGLYLCRJI-DJIMGWMZSA-N 2 2 329.448 1.349 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H](CO)c1ccnn1C ZINC000624018299 450670357 /nfs/dbraw/zinc/67/03/57/450670357.db2.gz PQLWYWGLYLCRJI-DJIMGWMZSA-N 2 2 329.448 1.349 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1)[NH+](C)C ZINC000635164338 450709173 /nfs/dbraw/zinc/70/91/73/450709173.db2.gz QMLVTGTWXZZIIB-CQSZACIVSA-N 2 2 339.867 1.813 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000629580563 450747173 /nfs/dbraw/zinc/74/71/73/450747173.db2.gz UVDICJSCOCUSQA-ZOBUZTSGSA-N 2 2 331.460 1.399 20 0 EDADLP CC(C)C1(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000631773751 450766327 /nfs/dbraw/zinc/76/63/27/450766327.db2.gz RIWYPBOQAXNSBI-UHFFFAOYSA-N 2 2 331.526 1.463 20 0 EDADLP CC(C)C1(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000631773751 450766328 /nfs/dbraw/zinc/76/63/28/450766328.db2.gz RIWYPBOQAXNSBI-UHFFFAOYSA-N 2 2 331.526 1.463 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000629652542 450771142 /nfs/dbraw/zinc/77/11/42/450771142.db2.gz GTNQWMWLLPKQNR-UHFFFAOYSA-N 2 2 328.294 1.829 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)S(=O)(=O)CC2([NH+](C)C)CC2)c1C ZINC000631836766 450805433 /nfs/dbraw/zinc/80/54/33/450805433.db2.gz GMWVQTDZQUHFTO-UHFFFAOYSA-N 2 2 341.477 1.563 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1F ZINC000621780217 450864881 /nfs/dbraw/zinc/86/48/81/450864881.db2.gz ORZJPGOBYFZFDV-OHNRDTAOSA-N 2 2 349.450 1.994 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1F ZINC000621780217 450864885 /nfs/dbraw/zinc/86/48/85/450864885.db2.gz ORZJPGOBYFZFDV-OHNRDTAOSA-N 2 2 349.450 1.994 20 0 EDADLP C[N@@H+]1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000626669131 450842627 /nfs/dbraw/zinc/84/26/27/450842627.db2.gz BLJIYTWSRKRSDJ-MSOLQXFVSA-N 2 2 343.471 1.313 20 0 EDADLP C[N@H+]1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000626669131 450842631 /nfs/dbraw/zinc/84/26/31/450842631.db2.gz BLJIYTWSRKRSDJ-MSOLQXFVSA-N 2 2 343.471 1.313 20 0 EDADLP Cc1ccc(COCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000621866222 450906508 /nfs/dbraw/zinc/90/65/08/450906508.db2.gz NNHQLBXATFWELD-GOSISDBHSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(COCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000621866222 450906512 /nfs/dbraw/zinc/90/65/12/450906512.db2.gz NNHQLBXATFWELD-GOSISDBHSA-N 2 2 345.487 1.796 20 0 EDADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633624921 450950194 /nfs/dbraw/zinc/95/01/94/450950194.db2.gz BSKXGEFPMHHGLQ-UHFFFAOYSA-N 2 2 343.431 1.169 20 0 EDADLP CCc1cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)nc(C)[nH+]1 ZINC000624708996 450959333 /nfs/dbraw/zinc/95/93/33/450959333.db2.gz ZCCGNBQOMXHVAG-KRWDZBQOSA-N 2 2 327.432 2.055 20 0 EDADLP CCc1cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)nc(C)[nH+]1 ZINC000624708996 450959341 /nfs/dbraw/zinc/95/93/41/450959341.db2.gz ZCCGNBQOMXHVAG-KRWDZBQOSA-N 2 2 327.432 2.055 20 0 EDADLP C[NH2+]CCOCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000626926694 451009353 /nfs/dbraw/zinc/00/93/53/451009353.db2.gz CUKYVKRRKTUKPC-HNNXBMFYSA-N 2 2 349.410 1.184 20 0 EDADLP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000627006471 451070224 /nfs/dbraw/zinc/07/02/24/451070224.db2.gz GDEXUCTUJSGHKC-CABCVRRESA-N 2 2 326.391 1.700 20 0 EDADLP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000627006471 451070229 /nfs/dbraw/zinc/07/02/29/451070229.db2.gz GDEXUCTUJSGHKC-CABCVRRESA-N 2 2 326.391 1.700 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)n1cc[nH+]c1 ZINC000635611010 451102904 /nfs/dbraw/zinc/10/29/04/451102904.db2.gz KFMSHMPHJQNIGY-IAGOWNOFSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)Cn3cc[nH+]c3C)CC2)oc1C ZINC000622367643 451135355 /nfs/dbraw/zinc/13/53/55/451135355.db2.gz UHKKACMCHWZOQT-UHFFFAOYSA-N 2 2 345.447 1.825 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[NH2+]C23CCC3)nc(C(C)C)[nH+]1 ZINC000627126347 451140323 /nfs/dbraw/zinc/14/03/23/451140323.db2.gz DPEWEAGLINVOSS-CQSZACIVSA-N 2 2 346.479 1.904 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)CCC[NH+](C)C ZINC000632300034 451182862 /nfs/dbraw/zinc/18/28/62/451182862.db2.gz FCGHVXLRHTWNQU-AWEZNQCLSA-N 2 2 328.482 1.712 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000635739870 451209551 /nfs/dbraw/zinc/20/95/51/451209551.db2.gz GBQWOTBGNKHUGF-UHFFFAOYSA-N 2 2 333.476 1.076 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000635739870 451209553 /nfs/dbraw/zinc/20/95/53/451209553.db2.gz GBQWOTBGNKHUGF-UHFFFAOYSA-N 2 2 333.476 1.076 20 0 EDADLP CCN(CC)C(=O)CCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195933 451233335 /nfs/dbraw/zinc/23/33/35/451233335.db2.gz KBSDVCIBVXBKPJ-UHFFFAOYSA-N 2 2 347.463 1.421 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCOCC(F)(F)F)c2)CC1 ZINC000634199252 451235187 /nfs/dbraw/zinc/23/51/87/451235187.db2.gz ZGKYJXVYCZUGCY-UHFFFAOYSA-N 2 2 346.353 1.741 20 0 EDADLP C[C@@H](NC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091638 451257950 /nfs/dbraw/zinc/25/79/50/451257950.db2.gz PGABUHWJUNSVPG-CRAIPNDOSA-N 2 2 332.492 1.292 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+]1CCCC1 ZINC000636524492 451266764 /nfs/dbraw/zinc/26/67/64/451266764.db2.gz OVGLBRXUURDJFB-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+]1CCCC1 ZINC000636524492 451266766 /nfs/dbraw/zinc/26/67/66/451266766.db2.gz OVGLBRXUURDJFB-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000638102785 451269673 /nfs/dbraw/zinc/26/96/73/451269673.db2.gz WUSFEFXXZDONRL-ZWNOBZJWSA-N 2 2 334.342 1.171 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000638130428 451301560 /nfs/dbraw/zinc/30/15/60/451301560.db2.gz FVXYAMHDAXHEMR-VQIMIIECSA-N 2 2 342.443 1.509 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000635862795 451309310 /nfs/dbraw/zinc/30/93/10/451309310.db2.gz JFHGZQLTKMSDMK-ROUUACIJSA-N 2 2 333.451 1.806 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000635862795 451309315 /nfs/dbraw/zinc/30/93/15/451309315.db2.gz JFHGZQLTKMSDMK-ROUUACIJSA-N 2 2 333.451 1.806 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C2)C1 ZINC000635974437 451408888 /nfs/dbraw/zinc/40/88/88/451408888.db2.gz TZPOZTLOEBJOND-JSGCOSHPSA-N 2 2 330.354 1.931 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C2)C1 ZINC000635974437 451408894 /nfs/dbraw/zinc/40/88/94/451408894.db2.gz TZPOZTLOEBJOND-JSGCOSHPSA-N 2 2 330.354 1.931 20 0 EDADLP C[C@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000640575859 451420289 /nfs/dbraw/zinc/42/02/89/451420289.db2.gz LMGJXEYNDXURDB-KFWWJZLASA-N 2 2 349.479 1.762 20 0 EDADLP C[C@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000640575859 451420296 /nfs/dbraw/zinc/42/02/96/451420296.db2.gz LMGJXEYNDXURDB-KFWWJZLASA-N 2 2 349.479 1.762 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[NH+]2CCCC2)o1 ZINC000636697058 451422838 /nfs/dbraw/zinc/42/28/38/451422838.db2.gz AGBXSZPGSLPLQV-GDBMZVCRSA-N 2 2 343.431 1.846 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H](c3ccccc3F)[C@H]([NH3+])C1)CC2 ZINC000638348254 451450201 /nfs/dbraw/zinc/45/02/01/451450201.db2.gz GAHNSHXJSDLSAK-UKPHBRMFSA-N 2 2 342.418 1.846 20 0 EDADLP Nc1c(F)cccc1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000638353834 451456142 /nfs/dbraw/zinc/45/61/42/451456142.db2.gz YLSLYLJTVFXRHQ-UHFFFAOYSA-N 2 2 344.438 1.500 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000640614891 451462781 /nfs/dbraw/zinc/46/27/81/451462781.db2.gz GCILQMXAOBPHAS-KGLIPLIRSA-N 2 2 335.452 1.062 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000640614891 451462786 /nfs/dbraw/zinc/46/27/86/451462786.db2.gz GCILQMXAOBPHAS-KGLIPLIRSA-N 2 2 335.452 1.062 20 0 EDADLP Cn1cc([C@@H]2CN(C(=O)c3ccc(-c4c[nH]c[nH+]4)cc3)C[C@H]2[NH3+])cn1 ZINC000638366573 451463318 /nfs/dbraw/zinc/46/33/18/451463318.db2.gz OPKLCNXOFGOTJV-JKSUJKDBSA-N 2 2 336.399 1.377 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000640620091 451467965 /nfs/dbraw/zinc/46/79/65/451467965.db2.gz DKOXHLNHNBJGDG-OAHLLOKOSA-N 2 2 347.463 1.329 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619275 451468099 /nfs/dbraw/zinc/46/80/99/451468099.db2.gz IQJHFARBUVIMCU-ZIAGYGMSSA-N 2 2 335.452 1.062 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619275 451468102 /nfs/dbraw/zinc/46/81/02/451468102.db2.gz IQJHFARBUVIMCU-ZIAGYGMSSA-N 2 2 335.452 1.062 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634706456 451483887 /nfs/dbraw/zinc/48/38/87/451483887.db2.gz PNCCASLHAGZEKA-PHXBYCTMSA-N 2 2 343.471 1.222 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634706456 451483892 /nfs/dbraw/zinc/48/38/92/451483892.db2.gz PNCCASLHAGZEKA-PHXBYCTMSA-N 2 2 343.471 1.222 20 0 EDADLP O[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)CC1(O)CCOCC1 ZINC000634709815 451488733 /nfs/dbraw/zinc/48/87/33/451488733.db2.gz OMWOXTDCHNZRAZ-INIZCTEOSA-N 2 2 331.416 1.254 20 0 EDADLP Cc1cc(NCC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)nc(C(C)C)[nH+]1 ZINC000634721695 451502713 /nfs/dbraw/zinc/50/27/13/451502713.db2.gz DBMQFWNMSCVGBS-QAPCUYQASA-N 2 2 336.480 1.822 20 0 EDADLP CO[C@](C)(C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000638453766 451523291 /nfs/dbraw/zinc/52/32/91/451523291.db2.gz HVJGUEATJDRFGU-LJQANCHMSA-N 2 2 346.475 1.525 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780049 451542826 /nfs/dbraw/zinc/54/28/26/451542826.db2.gz QLWDVGMRACNMLY-AEGPPILISA-N 2 2 326.400 1.982 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780049 451542831 /nfs/dbraw/zinc/54/28/31/451542831.db2.gz QLWDVGMRACNMLY-AEGPPILISA-N 2 2 326.400 1.982 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000636160496 451555069 /nfs/dbraw/zinc/55/50/69/451555069.db2.gz DMLNTKVROBSOCL-UHFFFAOYSA-N 2 2 346.475 1.656 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[C@@H](C)CO1 ZINC000636172570 451564505 /nfs/dbraw/zinc/56/45/05/451564505.db2.gz YGNQKFHKTRRAHL-YNEHKIRRSA-N 2 2 348.369 1.602 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[C@@H](C)CO1 ZINC000636172570 451564509 /nfs/dbraw/zinc/56/45/09/451564509.db2.gz YGNQKFHKTRRAHL-YNEHKIRRSA-N 2 2 348.369 1.602 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CCC4(CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000634810426 451565498 /nfs/dbraw/zinc/56/54/98/451565498.db2.gz XGSUZZOOYSFMHI-CABCVRRESA-N 2 2 331.464 1.264 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CCC4(CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000634810426 451565501 /nfs/dbraw/zinc/56/55/01/451565501.db2.gz XGSUZZOOYSFMHI-CABCVRRESA-N 2 2 331.464 1.264 20 0 EDADLP CC[N@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)Cc1ccccc1Cl ZINC000629166632 451576292 /nfs/dbraw/zinc/57/62/92/451576292.db2.gz BBPDWDPEJKYUCW-OAHLLOKOSA-N 2 2 339.867 1.345 20 0 EDADLP CC[N@@H+](CC(=O)NCC[NH+]1CC[C@@H](O)C1)Cc1ccccc1Cl ZINC000629166632 451576298 /nfs/dbraw/zinc/57/62/98/451576298.db2.gz BBPDWDPEJKYUCW-OAHLLOKOSA-N 2 2 339.867 1.345 20 0 EDADLP CC[NH+](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)Cc1ccccc1Cl ZINC000629166632 451576303 /nfs/dbraw/zinc/57/63/03/451576303.db2.gz BBPDWDPEJKYUCW-OAHLLOKOSA-N 2 2 339.867 1.345 20 0 EDADLP CC[NH+](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)Cc1ccccc1Cl ZINC000629166632 451576309 /nfs/dbraw/zinc/57/63/09/451576309.db2.gz BBPDWDPEJKYUCW-OAHLLOKOSA-N 2 2 339.867 1.345 20 0 EDADLP Cc1cc(NCCNC(=O)CCC2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000638583810 451589547 /nfs/dbraw/zinc/58/95/47/451589547.db2.gz NWLVQDPZHJKPJF-UHFFFAOYSA-N 2 2 333.480 2.216 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000638584598 451590520 /nfs/dbraw/zinc/59/05/20/451590520.db2.gz UVRSLLYGHXGWLY-QGZVFWFLSA-N 2 2 341.459 2.445 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)cc1 ZINC000638584597 451590710 /nfs/dbraw/zinc/59/07/10/451590710.db2.gz UVRSLLYGHXGWLY-KRWDZBQOSA-N 2 2 341.459 2.445 20 0 EDADLP Cc1ncccc1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000638600481 451598915 /nfs/dbraw/zinc/59/89/15/451598915.db2.gz AJWYSDUBNSYKPE-IBGZPJMESA-N 2 2 349.438 1.821 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C[N@@H+]1Cc1ccccc1 ZINC000636919119 451606195 /nfs/dbraw/zinc/60/61/95/451606195.db2.gz KXKZEBGYEONWAA-PVAVHDDUSA-N 2 2 339.443 1.770 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C[N@H+]1Cc1ccccc1 ZINC000636919119 451606201 /nfs/dbraw/zinc/60/62/01/451606201.db2.gz KXKZEBGYEONWAA-PVAVHDDUSA-N 2 2 339.443 1.770 20 0 EDADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631156420 451615937 /nfs/dbraw/zinc/61/59/37/451615937.db2.gz NUEIYEGTFFQBMH-UHFFFAOYSA-N 2 2 328.825 1.053 20 0 EDADLP OC[C@@H](CCF)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631168669 451621795 /nfs/dbraw/zinc/62/17/95/451621795.db2.gz LUZDDYUXPMKHRG-MRXNPFEDSA-N 2 2 326.412 1.208 20 0 EDADLP Cc1oc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1CO ZINC000631246386 451660384 /nfs/dbraw/zinc/66/03/84/451660384.db2.gz BFELQJPRESRGGD-INIZCTEOSA-N 2 2 335.448 1.321 20 0 EDADLP Cc1oc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1CO ZINC000631246386 451660389 /nfs/dbraw/zinc/66/03/89/451660389.db2.gz BFELQJPRESRGGD-INIZCTEOSA-N 2 2 335.448 1.321 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000631275457 451676137 /nfs/dbraw/zinc/67/61/37/451676137.db2.gz DVBPJXAQWMYNAS-ZWKOTPCHSA-N 2 2 337.508 1.534 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000631275457 451676142 /nfs/dbraw/zinc/67/61/42/451676142.db2.gz DVBPJXAQWMYNAS-ZWKOTPCHSA-N 2 2 337.508 1.534 20 0 EDADLP C[NH+](C)C1(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000631308523 451689674 /nfs/dbraw/zinc/68/96/74/451689674.db2.gz UMKRHCHESIMUGU-UHFFFAOYSA-N 2 2 342.443 1.642 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732619 451669452 /nfs/dbraw/zinc/66/94/52/451669452.db2.gz XNFGLEHWGKHHAW-IRXDYDNUSA-N 2 2 348.491 1.423 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732619 451669457 /nfs/dbraw/zinc/66/94/57/451669457.db2.gz XNFGLEHWGKHHAW-IRXDYDNUSA-N 2 2 348.491 1.423 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732617 451669561 /nfs/dbraw/zinc/66/95/61/451669561.db2.gz XNFGLEHWGKHHAW-DLBZAZTESA-N 2 2 348.491 1.423 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732617 451669564 /nfs/dbraw/zinc/66/95/64/451669564.db2.gz XNFGLEHWGKHHAW-DLBZAZTESA-N 2 2 348.491 1.423 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637107995 451726076 /nfs/dbraw/zinc/72/60/76/451726076.db2.gz REGMSQYZSPVBQA-SJORKVTESA-N 2 2 339.443 1.629 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637107995 451726082 /nfs/dbraw/zinc/72/60/82/451726082.db2.gz REGMSQYZSPVBQA-SJORKVTESA-N 2 2 339.443 1.629 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc2c(c1)OCO2 ZINC000638987278 451747182 /nfs/dbraw/zinc/74/71/82/451747182.db2.gz ODWZSLROYKIXOM-UHFFFAOYSA-N 2 2 326.356 1.472 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC000639032323 451754986 /nfs/dbraw/zinc/75/49/86/451754986.db2.gz RRULWRJWMAOOEL-WKILWMFISA-N 2 2 347.459 1.448 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC000639032323 451754988 /nfs/dbraw/zinc/75/49/88/451754988.db2.gz RRULWRJWMAOOEL-WKILWMFISA-N 2 2 347.459 1.448 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CC[N@H+](C)C1 ZINC000646766309 451827746 /nfs/dbraw/zinc/82/77/46/451827746.db2.gz VXRGAIWPZGBQOG-AWEZNQCLSA-N 2 2 329.404 1.216 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@H]1CC[N@@H+](C)C1 ZINC000646766309 451827748 /nfs/dbraw/zinc/82/77/48/451827748.db2.gz VXRGAIWPZGBQOG-AWEZNQCLSA-N 2 2 329.404 1.216 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000644521936 451838364 /nfs/dbraw/zinc/83/83/64/451838364.db2.gz HPVYNCYXTNOMGK-QRQLOZEOSA-N 2 2 347.459 1.601 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000644521936 451838371 /nfs/dbraw/zinc/83/83/71/451838371.db2.gz HPVYNCYXTNOMGK-QRQLOZEOSA-N 2 2 347.459 1.601 20 0 EDADLP COCC1(C2CC2)C[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000639380710 451857977 /nfs/dbraw/zinc/85/79/77/451857977.db2.gz USDSDZNOJPJTLK-UHFFFAOYSA-N 2 2 331.464 1.087 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cnc2c(Br)cccn12 ZINC000653347390 451859128 /nfs/dbraw/zinc/85/91/28/451859128.db2.gz AHLIBGKPAUSSDX-SNVBAGLBSA-N 2 2 340.225 1.314 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cc2c([nH]c1=O)CCC2 ZINC000644564234 451865016 /nfs/dbraw/zinc/86/50/16/451865016.db2.gz GFZGFPBYWCRTMB-SFHVURJKSA-N 2 2 341.455 1.858 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cc2c([nH]c1=O)CCC2 ZINC000644564234 451865020 /nfs/dbraw/zinc/86/50/20/451865020.db2.gz GFZGFPBYWCRTMB-SFHVURJKSA-N 2 2 341.455 1.858 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000644569195 451867180 /nfs/dbraw/zinc/86/71/80/451867180.db2.gz AAYGUIJKOIVGEJ-HUUCEWRRSA-N 2 2 336.432 1.619 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000644615912 451897059 /nfs/dbraw/zinc/89/70/59/451897059.db2.gz WONCKIULXJJGLH-QGZVFWFLSA-N 2 2 329.448 1.125 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000644615912 451897061 /nfs/dbraw/zinc/89/70/61/451897061.db2.gz WONCKIULXJJGLH-QGZVFWFLSA-N 2 2 329.448 1.125 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3nc(N(C)C)no3)c2cc1C ZINC000644624345 451901034 /nfs/dbraw/zinc/90/10/34/451901034.db2.gz GIBDIECHBSYHOC-CYBMUJFWSA-N 2 2 344.419 1.253 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715243 451949141 /nfs/dbraw/zinc/94/91/41/451949141.db2.gz ZZMSSGWBJGEFGK-FWYOQMDTSA-N 2 2 326.400 1.574 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000644715243 451949148 /nfs/dbraw/zinc/94/91/48/451949148.db2.gz ZZMSSGWBJGEFGK-FWYOQMDTSA-N 2 2 326.400 1.574 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2coc(C[NH3+])c2)CC1 ZINC000649285555 451958599 /nfs/dbraw/zinc/95/85/99/451958599.db2.gz BJLCQKGFSKHLSN-UHFFFAOYSA-N 2 2 342.399 1.378 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000642789203 451964870 /nfs/dbraw/zinc/96/48/70/451964870.db2.gz VIOFUYQATNZSPU-MRXNPFEDSA-N 2 2 344.459 1.067 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000642789203 451964874 /nfs/dbraw/zinc/96/48/74/451964874.db2.gz VIOFUYQATNZSPU-MRXNPFEDSA-N 2 2 344.459 1.067 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788989 451965051 /nfs/dbraw/zinc/96/50/51/451965051.db2.gz KYNOVBYXORKHSS-IAOVAPTHSA-N 2 2 344.459 1.018 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788989 451965058 /nfs/dbraw/zinc/96/50/58/451965058.db2.gz KYNOVBYXORKHSS-IAOVAPTHSA-N 2 2 344.459 1.018 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3[NH2+]CC3(C)C)CCCC2)no1 ZINC000649308091 451985561 /nfs/dbraw/zinc/98/55/61/451985561.db2.gz JMFCUXCRHQAIJC-CQSZACIVSA-N 2 2 349.479 1.795 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC(C)([NH3+])CC1)CC2 ZINC000646990982 451991144 /nfs/dbraw/zinc/99/11/44/451991144.db2.gz JFODRKHPLPIDGZ-UHFFFAOYSA-N 2 2 347.459 1.402 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC(C)([NH3+])CC1)CC2 ZINC000646990982 451991147 /nfs/dbraw/zinc/99/11/47/451991147.db2.gz JFODRKHPLPIDGZ-UHFFFAOYSA-N 2 2 347.459 1.402 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000649319949 451997674 /nfs/dbraw/zinc/99/76/74/451997674.db2.gz DZGZYVHVZLAFLL-UHFFFAOYSA-N 2 2 331.460 1.857 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000649341757 452022357 /nfs/dbraw/zinc/02/23/57/452022357.db2.gz VUYSDWGZKKSFEY-BBRMVZONSA-N 2 2 337.851 1.521 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000653591462 452029331 /nfs/dbraw/zinc/02/93/31/452029331.db2.gz HYFFYDHXJFYQTA-JKSUJKDBSA-N 2 2 340.427 1.329 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000653591462 452029338 /nfs/dbraw/zinc/02/93/38/452029338.db2.gz HYFFYDHXJFYQTA-JKSUJKDBSA-N 2 2 340.427 1.329 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)CC2)cn1 ZINC000649352113 452035130 /nfs/dbraw/zinc/03/51/30/452035130.db2.gz SPIOBBUIDAQGEM-INIZCTEOSA-N 2 2 347.850 1.418 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)CC2)cn1 ZINC000649352114 452035855 /nfs/dbraw/zinc/03/58/55/452035855.db2.gz SPIOBBUIDAQGEM-MRXNPFEDSA-N 2 2 347.850 1.418 20 0 EDADLP CNC(=O)c1cc(O[C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)ccn1 ZINC000639702419 452038510 /nfs/dbraw/zinc/03/85/10/452038510.db2.gz HESDWBAUJRWUBX-HNNXBMFYSA-N 2 2 329.404 1.181 20 0 EDADLP CNC(=O)c1cc(O[C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)ccn1 ZINC000639702419 452038518 /nfs/dbraw/zinc/03/85/18/452038518.db2.gz HESDWBAUJRWUBX-HNNXBMFYSA-N 2 2 329.404 1.181 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000649371468 452047493 /nfs/dbraw/zinc/04/74/93/452047493.db2.gz LFHYCJNECPRXHW-UHFFFAOYSA-N 2 2 339.439 1.908 20 0 EDADLP COCc1ccccc1/C=C(\C)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000644883676 452049538 /nfs/dbraw/zinc/04/95/38/452049538.db2.gz VGMKGGFVGICABS-FOWTUZBSSA-N 2 2 331.460 1.600 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000653662102 452065120 /nfs/dbraw/zinc/06/51/20/452065120.db2.gz SZIDYHCHQPPISZ-LJQANCHMSA-N 2 2 347.503 1.453 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000653662102 452065123 /nfs/dbraw/zinc/06/51/23/452065123.db2.gz SZIDYHCHQPPISZ-LJQANCHMSA-N 2 2 347.503 1.453 20 0 EDADLP Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3nc(C(C)(C)[NH3+])no3)C2)nn1 ZINC000649412562 452077018 /nfs/dbraw/zinc/07/70/18/452077018.db2.gz SUKYPHOBQGNKLM-CYBMUJFWSA-N 2 2 345.451 1.463 20 0 EDADLP Cc1ccc(N2CCC[C@@H]([N@@H+](C)Cc3nc(C(C)(C)[NH3+])no3)C2)nn1 ZINC000649412562 452077023 /nfs/dbraw/zinc/07/70/23/452077023.db2.gz SUKYPHOBQGNKLM-CYBMUJFWSA-N 2 2 345.451 1.463 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000649416162 452078856 /nfs/dbraw/zinc/07/88/56/452078856.db2.gz UQRQOAHFUOQODQ-UHFFFAOYSA-N 2 2 336.505 1.206 20 0 EDADLP CC1(C)[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1O ZINC000653741029 452097252 /nfs/dbraw/zinc/09/72/52/452097252.db2.gz AMYZNXHKVRLWIR-CABCVRRESA-N 2 2 337.489 1.141 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766827 452109028 /nfs/dbraw/zinc/10/90/28/452109028.db2.gz RGXJIMVECIASSX-HPFXQQBRSA-N 2 2 325.497 1.268 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766827 452109034 /nfs/dbraw/zinc/10/90/34/452109034.db2.gz RGXJIMVECIASSX-HPFXQQBRSA-N 2 2 325.497 1.268 20 0 EDADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647193101 452118265 /nfs/dbraw/zinc/11/82/65/452118265.db2.gz KTIQYTHZIAUZGI-MSOLQXFVSA-N 2 2 341.459 1.735 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc3n(n2)CCCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000649571724 452151132 /nfs/dbraw/zinc/15/11/32/452151132.db2.gz USZSRTATBQKXCA-VQIMIIECSA-N 2 2 331.508 1.677 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc3n(n2)CCCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000649571724 452151136 /nfs/dbraw/zinc/15/11/36/452151136.db2.gz USZSRTATBQKXCA-VQIMIIECSA-N 2 2 331.508 1.677 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645118313 452160633 /nfs/dbraw/zinc/16/06/33/452160633.db2.gz QOWYWSDMZALWMJ-UHFFFAOYSA-N 2 2 342.447 1.865 20 0 EDADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H]1CCC(=O)N1)CC2 ZINC000649602313 452161565 /nfs/dbraw/zinc/16/15/65/452161565.db2.gz WVBFKXRQADOVML-KBPBESRZSA-N 2 2 334.489 1.708 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H]1CCC(=O)N1)CC2 ZINC000649602313 452161569 /nfs/dbraw/zinc/16/15/69/452161569.db2.gz WVBFKXRQADOVML-KBPBESRZSA-N 2 2 334.489 1.708 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C2)C1 ZINC000649617801 452170076 /nfs/dbraw/zinc/17/00/76/452170076.db2.gz XQEOKZCSTJOIIO-SFHVURJKSA-N 2 2 349.500 1.655 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C2)C1 ZINC000649617801 452170082 /nfs/dbraw/zinc/17/00/82/452170082.db2.gz XQEOKZCSTJOIIO-SFHVURJKSA-N 2 2 349.500 1.655 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C2)C1 ZINC000649617801 452170089 /nfs/dbraw/zinc/17/00/89/452170089.db2.gz XQEOKZCSTJOIIO-SFHVURJKSA-N 2 2 349.500 1.655 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C2)C1 ZINC000649617801 452170095 /nfs/dbraw/zinc/17/00/95/452170095.db2.gz XQEOKZCSTJOIIO-SFHVURJKSA-N 2 2 349.500 1.655 20 0 EDADLP C[C@]1(CO)C[C@@H](O)C[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000639849422 452180430 /nfs/dbraw/zinc/18/04/30/452180430.db2.gz OLRNLKFJVRSECM-GUDVDZBRSA-N 2 2 334.460 1.095 20 0 EDADLP C[C@]1(CO)C[C@@H](O)C[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000639849422 452180437 /nfs/dbraw/zinc/18/04/37/452180437.db2.gz OLRNLKFJVRSECM-GUDVDZBRSA-N 2 2 334.460 1.095 20 0 EDADLP C[C@]1(CO)C[C@@H](O)C[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000639849422 452180446 /nfs/dbraw/zinc/18/04/46/452180446.db2.gz OLRNLKFJVRSECM-GUDVDZBRSA-N 2 2 334.460 1.095 20 0 EDADLP C[C@]1(CO)C[C@@H](O)C[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000639849422 452180454 /nfs/dbraw/zinc/18/04/54/452180454.db2.gz OLRNLKFJVRSECM-GUDVDZBRSA-N 2 2 334.460 1.095 20 0 EDADLP CN(CCCC[NH+]1CCCCC1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000641673355 452186713 /nfs/dbraw/zinc/18/67/13/452186713.db2.gz KOUXCWGAUCUXNL-UHFFFAOYSA-N 2 2 337.508 1.966 20 0 EDADLP c1nc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)cc(NC2CC2)[nH+]1 ZINC000641717628 452216397 /nfs/dbraw/zinc/21/63/97/452216397.db2.gz DOVDIYRQPZIBLF-MRXNPFEDSA-N 2 2 346.479 1.259 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC000649731403 452216516 /nfs/dbraw/zinc/21/65/16/452216516.db2.gz HEPDIGRTNIHOOE-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC000649731403 452216521 /nfs/dbraw/zinc/21/65/21/452216521.db2.gz HEPDIGRTNIHOOE-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000643454546 452230652 /nfs/dbraw/zinc/23/06/52/452230652.db2.gz CLIMLUYFHZOTST-BBRMVZONSA-N 2 2 325.478 1.356 20 0 EDADLP Fc1ccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c(F)c1 ZINC000643462936 452234410 /nfs/dbraw/zinc/23/44/10/452234410.db2.gz OMVNMLDYBPXTKU-QGTPRVQTSA-N 2 2 337.414 1.900 20 0 EDADLP Fc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)cnc1N1CCOCC1 ZINC000657434392 452246281 /nfs/dbraw/zinc/24/62/81/452246281.db2.gz HJAYBNRTBYKHOP-UHFFFAOYSA-N 2 2 331.395 1.490 20 0 EDADLP c1cc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641785287 452256751 /nfs/dbraw/zinc/25/67/51/452256751.db2.gz HTWBWPFAQDFQEF-IAGOWNOFSA-N 2 2 333.480 1.104 20 0 EDADLP Cn1c2ccccc2cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1=O ZINC000643490592 452260348 /nfs/dbraw/zinc/26/03/48/452260348.db2.gz ZQNQIFZYZQRWJR-ROUUACIJSA-N 2 2 327.428 1.395 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1cnc(N)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000647528485 452262982 /nfs/dbraw/zinc/26/29/82/452262982.db2.gz FYCVEAXWSSOZKH-AWEZNQCLSA-N 2 2 346.504 2.086 20 0 EDADLP Fc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000641789327 452265710 /nfs/dbraw/zinc/26/57/10/452265710.db2.gz BRFNSCUXTUEKIE-INIZCTEOSA-N 2 2 339.430 1.851 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643501566 452269563 /nfs/dbraw/zinc/26/95/63/452269563.db2.gz LCTCQAZBLKQUPP-HIFRSBDPSA-N 2 2 325.478 1.730 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000652084463 452273470 /nfs/dbraw/zinc/27/34/70/452273470.db2.gz NOKOPOZVISSDDI-OCCSQVGLSA-N 2 2 336.480 1.324 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC000641804425 452284260 /nfs/dbraw/zinc/28/42/60/452284260.db2.gz IQHBBMVOORMYGN-YDHLFZDLSA-N 2 2 325.478 1.542 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC000641804425 452284269 /nfs/dbraw/zinc/28/42/69/452284269.db2.gz IQHBBMVOORMYGN-YDHLFZDLSA-N 2 2 325.478 1.542 20 0 EDADLP Cn1ccnc1[C@H](C1CC1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000638033743 452287139 /nfs/dbraw/zinc/28/71/39/452287139.db2.gz HIOIWIOWRKUFRQ-ROUUACIJSA-N 2 2 331.508 1.973 20 0 EDADLP Cn1ccnc1[C@H](C1CC1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000638033743 452287146 /nfs/dbraw/zinc/28/71/46/452287146.db2.gz HIOIWIOWRKUFRQ-ROUUACIJSA-N 2 2 331.508 1.973 20 0 EDADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000638033743 452287153 /nfs/dbraw/zinc/28/71/53/452287153.db2.gz HIOIWIOWRKUFRQ-ROUUACIJSA-N 2 2 331.508 1.973 20 0 EDADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000638033743 452287158 /nfs/dbraw/zinc/28/71/58/452287158.db2.gz HIOIWIOWRKUFRQ-ROUUACIJSA-N 2 2 331.508 1.973 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659444663 452293678 /nfs/dbraw/zinc/29/36/78/452293678.db2.gz GDPGPGXFDQWXLL-UHFFFAOYSA-N 3 2 337.512 1.116 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)CCC2 ZINC000643538205 452300655 /nfs/dbraw/zinc/30/06/55/452300655.db2.gz BBUOAULIJFRGEU-HUBLWGQQSA-N 2 2 327.425 1.001 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H](C)C[NH+]3CCCCC3)cc2[nH+]1 ZINC000657524681 452310429 /nfs/dbraw/zinc/31/04/29/452310429.db2.gz NEJLBWMTUQQHSM-CYBMUJFWSA-N 2 2 343.431 1.572 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(N3CCCC3)[nH+]c1)C2 ZINC000652125741 452321548 /nfs/dbraw/zinc/32/15/48/452321548.db2.gz DCWJWKZUAAKJKA-LPHOPBHVSA-N 2 2 343.475 1.952 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659483590 452343462 /nfs/dbraw/zinc/34/34/62/452343462.db2.gz ARKIOSQOILKHPT-HZPDHXFCSA-N 2 2 331.464 1.619 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCCC1(C[NH3+])CC1)c1c(F)cccc1F ZINC000652152153 452344424 /nfs/dbraw/zinc/34/44/24/452344424.db2.gz FUDLVUAIONVRDF-CQSZACIVSA-N 2 2 340.418 1.996 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)C1 ZINC000638060570 452351155 /nfs/dbraw/zinc/35/11/55/452351155.db2.gz XJAJTKKNRZAKFS-ZWKOTPCHSA-N 2 2 332.492 1.388 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@]3(C)C[NH2+]CCO3)c[nH+]2)CC1 ZINC000638062266 452354050 /nfs/dbraw/zinc/35/40/50/452354050.db2.gz DNSIYFRTFJKHGQ-SFHVURJKSA-N 2 2 332.448 1.313 20 0 EDADLP C[NH+]1CCN(CCNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000665771150 452354820 /nfs/dbraw/zinc/35/48/20/452354820.db2.gz VZRDKIWMAHQOMZ-KRWDZBQOSA-N 2 2 341.459 1.295 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CCC3C[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000638062487 452357931 /nfs/dbraw/zinc/35/79/31/452357931.db2.gz SVAUZXFKNGVQHL-OKILXGFUSA-N 2 2 332.448 1.311 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000663626503 452362736 /nfs/dbraw/zinc/36/27/36/452362736.db2.gz AMXDBBAUUSBJQV-VQHPVUNQSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000663626503 452362745 /nfs/dbraw/zinc/36/27/45/452362745.db2.gz AMXDBBAUUSBJQV-VQHPVUNQSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000663626503 452362753 /nfs/dbraw/zinc/36/27/53/452362753.db2.gz AMXDBBAUUSBJQV-VQHPVUNQSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000663626503 452362762 /nfs/dbraw/zinc/36/27/62/452362762.db2.gz AMXDBBAUUSBJQV-VQHPVUNQSA-N 2 2 340.512 1.515 20 0 EDADLP CCOCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655552109 452370137 /nfs/dbraw/zinc/37/01/37/452370137.db2.gz NGPQMWBBNSUFDQ-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CCOCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655552109 452370142 /nfs/dbraw/zinc/37/01/42/452370142.db2.gz NGPQMWBBNSUFDQ-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659522651 452386790 /nfs/dbraw/zinc/38/67/90/452386790.db2.gz FICMUMUDWVZPCJ-INIZCTEOSA-N 2 2 326.485 1.258 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(-c2ccccn2)nc1 ZINC000640051172 452394526 /nfs/dbraw/zinc/39/45/26/452394526.db2.gz KGWYSTYWQITJPH-UHFFFAOYSA-N 2 2 339.443 1.349 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(-c2ccccn2)nc1 ZINC000640051172 452394531 /nfs/dbraw/zinc/39/45/31/452394531.db2.gz KGWYSTYWQITJPH-UHFFFAOYSA-N 2 2 339.443 1.349 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659550921 452408424 /nfs/dbraw/zinc/40/84/24/452408424.db2.gz SIPDLJKQOYXEJY-WMZOPIPTSA-N 2 2 347.507 1.229 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659550921 452408429 /nfs/dbraw/zinc/40/84/29/452408429.db2.gz SIPDLJKQOYXEJY-WMZOPIPTSA-N 2 2 347.507 1.229 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000645475360 452448061 /nfs/dbraw/zinc/44/80/61/452448061.db2.gz AKAWZQNFDNSQGA-MRXNPFEDSA-N 2 2 334.439 1.062 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000652282564 452467095 /nfs/dbraw/zinc/46/70/95/452467095.db2.gz JWWDXANJPXVPQO-UHFFFAOYSA-N 2 2 339.443 1.833 20 0 EDADLP CN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(C[NH3+])o3)cc2)CC1 ZINC000645507450 452473956 /nfs/dbraw/zinc/47/39/56/452473956.db2.gz NEYNBAMHOWGZCJ-UHFFFAOYSA-N 2 2 342.443 1.416 20 0 EDADLP O=C(NCC12CC(C1)C[NH2+]2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000659617032 452475817 /nfs/dbraw/zinc/47/58/17/452475817.db2.gz ZMJQNLVKAWLTQE-UHFFFAOYSA-N 2 2 332.423 1.405 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)c2[nH+]ccn2C)c1 ZINC000654426040 452480725 /nfs/dbraw/zinc/48/07/25/452480725.db2.gz BWBMXTRBTTVEPD-RDTXWAMCSA-N 2 2 342.443 1.976 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)c2[nH+]ccn2C)c1 ZINC000654426040 452480730 /nfs/dbraw/zinc/48/07/30/452480730.db2.gz BWBMXTRBTTVEPD-RDTXWAMCSA-N 2 2 342.443 1.976 20 0 EDADLP C[C@]12COC[C@H]1C[N@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000661703313 452506253 /nfs/dbraw/zinc/50/62/53/452506253.db2.gz DMAORPLPMKVAAU-AEFFLSMTSA-N 2 2 349.500 1.361 20 0 EDADLP C[C@]12COC[C@H]1C[N@@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000661703313 452506263 /nfs/dbraw/zinc/50/62/63/452506263.db2.gz DMAORPLPMKVAAU-AEFFLSMTSA-N 2 2 349.500 1.361 20 0 EDADLP Nc1cccc2c1cc[nH+]c2N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000663780251 452509741 /nfs/dbraw/zinc/50/97/41/452509741.db2.gz GVSJEJJMAWJDBT-UHFFFAOYSA-N 2 2 342.443 1.481 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000652341196 452512688 /nfs/dbraw/zinc/51/26/88/452512688.db2.gz PRDNSWFJNULIKN-HNNXBMFYSA-N 2 2 342.281 1.542 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CCC([NH2+]C(C)C)CC3)cc2[nH+]1 ZINC000657772352 452518679 /nfs/dbraw/zinc/51/86/79/452518679.db2.gz LZJMKKACVADZHP-UHFFFAOYSA-N 2 2 343.431 1.570 20 0 EDADLP OC1CC[NH+](CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655698884 452520090 /nfs/dbraw/zinc/52/00/90/452520090.db2.gz YUXBLHXDTKDJGS-GOSISDBHSA-N 3 2 325.497 1.066 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000647791586 452524417 /nfs/dbraw/zinc/52/44/17/452524417.db2.gz IATLPYMBCMRYRB-GSEOLPGOSA-N 3 2 329.488 1.383 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000647791586 452524424 /nfs/dbraw/zinc/52/44/24/452524424.db2.gz IATLPYMBCMRYRB-GSEOLPGOSA-N 3 2 329.488 1.383 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000652351950 452529695 /nfs/dbraw/zinc/52/96/95/452529695.db2.gz LTETVYVGWBLFAI-BXWFABGCSA-N 2 2 329.444 1.167 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000652351950 452529704 /nfs/dbraw/zinc/52/97/04/452529704.db2.gz LTETVYVGWBLFAI-BXWFABGCSA-N 2 2 329.444 1.167 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3cc(OC)ccc3C2)CC1 ZINC000661738694 452538516 /nfs/dbraw/zinc/53/85/16/452538516.db2.gz UBEZQQGKNAKITR-OAHLLOKOSA-N 2 2 331.460 1.606 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3cc(OC)ccc3C2)CC1 ZINC000661738694 452538527 /nfs/dbraw/zinc/53/85/27/452538527.db2.gz UBEZQQGKNAKITR-OAHLLOKOSA-N 2 2 331.460 1.606 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCN1CC(F)(F)F ZINC000655726748 452538847 /nfs/dbraw/zinc/53/88/47/452538847.db2.gz DQVKJZMXLGCQKR-UONOGXRCSA-N 2 2 349.397 1.383 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000647806472 452540352 /nfs/dbraw/zinc/54/03/52/452540352.db2.gz JGVDOGWOJURWNN-UHFFFAOYSA-N 2 2 328.416 1.135 20 0 EDADLP O=c1[nH]c2ccccc2n1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655730320 452542108 /nfs/dbraw/zinc/54/21/08/452542108.db2.gz IMSLMOUJDJRFGZ-HNNXBMFYSA-N 2 2 330.432 1.585 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000647821152 452551774 /nfs/dbraw/zinc/55/17/74/452551774.db2.gz CJZHGYILSPLWNP-HZPDHXFCSA-N 2 2 328.416 1.198 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000647821152 452551781 /nfs/dbraw/zinc/55/17/81/452551781.db2.gz CJZHGYILSPLWNP-HZPDHXFCSA-N 2 2 328.416 1.198 20 0 EDADLP Cc1noc(CN2CCCC[C@@H]([NH2+]Cc3c[nH+]cn3C(C)C)C2=O)n1 ZINC000643734677 452553275 /nfs/dbraw/zinc/55/32/75/452553275.db2.gz IUVCFBFXURHGEN-OAHLLOKOSA-N 2 2 346.435 1.826 20 0 EDADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)n2C ZINC000655757673 452561032 /nfs/dbraw/zinc/56/10/32/452561032.db2.gz WVMURQOESRGGFH-HNNXBMFYSA-N 2 2 344.459 1.925 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2[nH+]1 ZINC000657856169 452571911 /nfs/dbraw/zinc/57/19/11/452571911.db2.gz QZCZIHGYWHOXIY-IUODEOHRSA-N 2 2 343.431 1.380 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2[nH+]1 ZINC000657856169 452571918 /nfs/dbraw/zinc/57/19/18/452571918.db2.gz QZCZIHGYWHOXIY-IUODEOHRSA-N 2 2 343.431 1.380 20 0 EDADLP O=C(CC[NH2+][C@@H]1COC2(CCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000657863569 452576809 /nfs/dbraw/zinc/57/68/09/452576809.db2.gz KRKIQYDMVMFLIO-INIZCTEOSA-N 2 2 344.459 1.422 20 0 EDADLP CC(C)N1CCO[C@H](C[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)C1 ZINC000647867139 452604665 /nfs/dbraw/zinc/60/46/65/452604665.db2.gz AEWRCLXSKHZVQY-MRXNPFEDSA-N 2 2 343.475 1.794 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000663893075 452620819 /nfs/dbraw/zinc/62/08/19/452620819.db2.gz IUMWBMOEHIMZSN-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000663893075 452620826 /nfs/dbraw/zinc/62/08/26/452620826.db2.gz IUMWBMOEHIMZSN-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP O=C1[C@@H](N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000647884896 452623534 /nfs/dbraw/zinc/62/35/34/452623534.db2.gz HNZLRPPZAOTTHE-AEFFLSMTSA-N 2 2 328.460 1.019 20 0 EDADLP O=C1[C@@H]([NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000647884896 452623544 /nfs/dbraw/zinc/62/35/44/452623544.db2.gz HNZLRPPZAOTTHE-AEFFLSMTSA-N 2 2 328.460 1.019 20 0 EDADLP O=C(C[NH2+][C@H]1C[C@H](O)C12CCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000661840291 452624994 /nfs/dbraw/zinc/62/49/94/452624994.db2.gz RGHYPCWCGXHPTR-HOTGVXAUSA-N 2 2 349.500 1.285 20 0 EDADLP COCc1cc[nH+]c(NCc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000650243980 452628373 /nfs/dbraw/zinc/62/83/73/452628373.db2.gz XSYMNHNFARFFJN-UHFFFAOYSA-N 2 2 328.420 1.382 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc2[nH+]1 ZINC000657960682 452639964 /nfs/dbraw/zinc/63/99/64/452639964.db2.gz IESPSOIMRXPMKQ-LBPRGKRZSA-N 2 2 331.420 1.426 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc2[nH+]1 ZINC000657960682 452639971 /nfs/dbraw/zinc/63/99/71/452639971.db2.gz IESPSOIMRXPMKQ-LBPRGKRZSA-N 2 2 331.420 1.426 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC[C@@H]1[NH3+] ZINC000647940027 452682209 /nfs/dbraw/zinc/68/22/09/452682209.db2.gz KMIRCKQYJBLLEF-KGLIPLIRSA-N 2 2 344.459 1.810 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)CC[C@@H]1[NH3+] ZINC000647940027 452682214 /nfs/dbraw/zinc/68/22/14/452682214.db2.gz KMIRCKQYJBLLEF-KGLIPLIRSA-N 2 2 344.459 1.810 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000658057279 452710550 /nfs/dbraw/zinc/71/05/50/452710550.db2.gz OHYLJBQVICPKQV-TZMCWYRMSA-N 2 2 325.478 1.857 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000658057279 452710558 /nfs/dbraw/zinc/71/05/58/452710558.db2.gz OHYLJBQVICPKQV-TZMCWYRMSA-N 2 2 325.478 1.857 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000647970449 452715153 /nfs/dbraw/zinc/71/51/53/452715153.db2.gz QXQMIZUYPOPAEP-MOPGFXCFSA-N 2 2 335.492 1.351 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000647970449 452715159 /nfs/dbraw/zinc/71/51/59/452715159.db2.gz QXQMIZUYPOPAEP-MOPGFXCFSA-N 2 2 335.492 1.351 20 0 EDADLP c1nn(-c2ccccc2)cc1CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989094 452730573 /nfs/dbraw/zinc/73/05/73/452730573.db2.gz HMCSITFJGWJPOF-QGZVFWFLSA-N 2 2 325.460 1.599 20 0 EDADLP c1nn(-c2ccccc2)cc1C[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989094 452730583 /nfs/dbraw/zinc/73/05/83/452730583.db2.gz HMCSITFJGWJPOF-QGZVFWFLSA-N 2 2 325.460 1.599 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000658123390 452737296 /nfs/dbraw/zinc/73/72/96/452737296.db2.gz ZVALDUDZXKJDTJ-CYBMUJFWSA-N 2 2 343.431 1.509 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000658123390 452737302 /nfs/dbraw/zinc/73/73/02/452737302.db2.gz ZVALDUDZXKJDTJ-CYBMUJFWSA-N 2 2 343.431 1.509 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000654652939 452754572 /nfs/dbraw/zinc/75/45/72/452754572.db2.gz VSQZZKWZNFMKTM-HMDCTGQHSA-N 2 2 340.512 1.608 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000654652939 452754583 /nfs/dbraw/zinc/75/45/83/452754583.db2.gz VSQZZKWZNFMKTM-HMDCTGQHSA-N 2 2 340.512 1.608 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000654652939 452754588 /nfs/dbraw/zinc/75/45/88/452754588.db2.gz VSQZZKWZNFMKTM-HMDCTGQHSA-N 2 2 340.512 1.608 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000654652939 452754597 /nfs/dbraw/zinc/75/45/97/452754597.db2.gz VSQZZKWZNFMKTM-HMDCTGQHSA-N 2 2 340.512 1.608 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000654652941 452755685 /nfs/dbraw/zinc/75/56/85/452755685.db2.gz VSQZZKWZNFMKTM-UUAJXVIYSA-N 2 2 340.512 1.608 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000654652941 452755689 /nfs/dbraw/zinc/75/56/89/452755689.db2.gz VSQZZKWZNFMKTM-UUAJXVIYSA-N 2 2 340.512 1.608 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000654652941 452755696 /nfs/dbraw/zinc/75/56/96/452755696.db2.gz VSQZZKWZNFMKTM-UUAJXVIYSA-N 2 2 340.512 1.608 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000654652941 452755700 /nfs/dbraw/zinc/75/57/00/452755700.db2.gz VSQZZKWZNFMKTM-UUAJXVIYSA-N 2 2 340.512 1.608 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658149566 452758941 /nfs/dbraw/zinc/75/89/41/452758941.db2.gz UBGNJIPTNGQAED-BHIYHBOVSA-N 2 2 349.475 1.050 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658149566 452758950 /nfs/dbraw/zinc/75/89/50/452758950.db2.gz UBGNJIPTNGQAED-BHIYHBOVSA-N 2 2 349.475 1.050 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000654660711 452775513 /nfs/dbraw/zinc/77/55/13/452775513.db2.gz DAYYVRDGPDOQNM-MAEOIBBWSA-N 2 2 348.466 1.993 20 0 EDADLP CC[NH+]1CCC(NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658342496 452857171 /nfs/dbraw/zinc/85/71/71/452857171.db2.gz ABARFZGBDDSSLS-HXUWFJFHSA-N 2 2 330.520 1.877 20 0 EDADLP CC[NH+]1CCC(NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658342496 452857176 /nfs/dbraw/zinc/85/71/76/452857176.db2.gz ABARFZGBDDSSLS-HXUWFJFHSA-N 2 2 330.520 1.877 20 0 EDADLP CC[NH+]1CCC([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658342496 452857180 /nfs/dbraw/zinc/85/71/80/452857180.db2.gz ABARFZGBDDSSLS-HXUWFJFHSA-N 2 2 330.520 1.877 20 0 EDADLP CC[C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000648166217 452875020 /nfs/dbraw/zinc/87/50/20/452875020.db2.gz ZNSAGWBCRXRBMS-YJBOKZPZSA-N 2 2 343.471 1.052 20 0 EDADLP CN(C(=O)N[C@@H]1CCOC1(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656121609 452876930 /nfs/dbraw/zinc/87/69/30/452876930.db2.gz KEDADOFANKEGEX-HZPDHXFCSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)N[C@@H]1CCOC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656121609 452876934 /nfs/dbraw/zinc/87/69/34/452876934.db2.gz KEDADOFANKEGEX-HZPDHXFCSA-N 2 2 338.496 1.364 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000648166700 452877873 /nfs/dbraw/zinc/87/78/73/452877873.db2.gz KMMWZTMQWUUELE-NVXWUHKLSA-N 2 2 331.460 1.870 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000648166700 452877881 /nfs/dbraw/zinc/87/78/81/452877881.db2.gz KMMWZTMQWUUELE-NVXWUHKLSA-N 2 2 331.460 1.870 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCOCC1 ZINC000648166799 452879151 /nfs/dbraw/zinc/87/91/51/452879151.db2.gz UXVOBWHEOLZVBY-BZUAXINKSA-N 2 2 334.464 1.862 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](C[C@@H]3CN(c4ccccc4)CCO3)CC2)C1 ZINC000662150279 452883221 /nfs/dbraw/zinc/88/32/21/452883221.db2.gz UFRLCYJRFUGQHQ-VQTJNVASSA-N 2 2 345.487 1.423 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](C[C@@H]3CN(c4ccccc4)CCO3)CC2)C1 ZINC000662150279 452883229 /nfs/dbraw/zinc/88/32/29/452883229.db2.gz UFRLCYJRFUGQHQ-VQTJNVASSA-N 2 2 345.487 1.423 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)nc(C)[nH+]1 ZINC000654762511 452892004 /nfs/dbraw/zinc/89/20/04/452892004.db2.gz CHYHXUMEGDRNAC-DOMZBBRYSA-N 2 2 342.447 1.780 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)nc(C)[nH+]1 ZINC000654762511 452892013 /nfs/dbraw/zinc/89/20/13/452892013.db2.gz CHYHXUMEGDRNAC-DOMZBBRYSA-N 2 2 342.447 1.780 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656198846 452954941 /nfs/dbraw/zinc/95/49/41/452954941.db2.gz GHONDXHIZFBROA-CABCVRRESA-N 2 2 335.452 1.470 20 0 EDADLP CCC(CC)(CO)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000654838660 452963767 /nfs/dbraw/zinc/96/37/67/452963767.db2.gz BIDCFJPUQZCRRR-UHFFFAOYSA-N 2 2 339.524 1.852 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977738 452966307 /nfs/dbraw/zinc/96/63/07/452966307.db2.gz KDZPULNYZFYTKA-QFBILLFUSA-N 3 2 342.487 1.158 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977738 452966316 /nfs/dbraw/zinc/96/63/16/452966316.db2.gz KDZPULNYZFYTKA-QFBILLFUSA-N 3 2 342.487 1.158 20 0 EDADLP NC(=O)C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000656259890 452994705 /nfs/dbraw/zinc/99/47/05/452994705.db2.gz FFNHGMFZVNBXPE-ROUUACIJSA-N 2 2 331.460 1.836 20 0 EDADLP C[N@@H+](Cc1nccn1Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264706 452997143 /nfs/dbraw/zinc/99/71/43/452997143.db2.gz VEZTYGLMVAJDIH-QGZVFWFLSA-N 2 2 326.444 1.884 20 0 EDADLP C[N@H+](Cc1nccn1Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662264706 452997152 /nfs/dbraw/zinc/99/71/52/452997152.db2.gz VEZTYGLMVAJDIH-QGZVFWFLSA-N 2 2 326.444 1.884 20 0 EDADLP c1cc(N2CCC([NH2+]Cc3nnc([C@@H]4CCCO4)[nH]3)CC2)cc[nH+]1 ZINC000656269242 453000014 /nfs/dbraw/zinc/00/00/14/453000014.db2.gz MYEBYQMMBZTBDP-HNNXBMFYSA-N 2 2 328.420 1.810 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658468895 453007844 /nfs/dbraw/zinc/00/78/44/453007844.db2.gz RVAXMYZOCLZZJV-CQSZACIVSA-N 2 2 329.404 1.216 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658468895 453007852 /nfs/dbraw/zinc/00/78/52/453007852.db2.gz RVAXMYZOCLZZJV-CQSZACIVSA-N 2 2 329.404 1.216 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319904 453036008 /nfs/dbraw/zinc/03/60/08/453036008.db2.gz QCSLNBHEHNIAMN-PKOBYXMFSA-N 2 2 347.503 1.776 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319904 453036017 /nfs/dbraw/zinc/03/60/17/453036017.db2.gz QCSLNBHEHNIAMN-PKOBYXMFSA-N 2 2 347.503 1.776 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322197 453040633 /nfs/dbraw/zinc/04/06/33/453040633.db2.gz UVIBBAFFAQJHLB-IAGOWNOFSA-N 2 2 327.513 1.922 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322197 453040637 /nfs/dbraw/zinc/04/06/37/453040637.db2.gz UVIBBAFFAQJHLB-IAGOWNOFSA-N 2 2 327.513 1.922 20 0 EDADLP CO[C@@H](C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)C1CCCCC1 ZINC000660120308 453046854 /nfs/dbraw/zinc/04/68/54/453046854.db2.gz IDQKSGXXPAXDIV-ROUUACIJSA-N 2 2 337.508 1.996 20 0 EDADLP CO[C@@H](C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)C1CCCCC1 ZINC000660120308 453046865 /nfs/dbraw/zinc/04/68/65/453046865.db2.gz IDQKSGXXPAXDIV-ROUUACIJSA-N 2 2 337.508 1.996 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664410439 453072954 /nfs/dbraw/zinc/07/29/54/453072954.db2.gz VVLQDOVETZPJOW-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664410439 453072963 /nfs/dbraw/zinc/07/29/63/453072963.db2.gz VVLQDOVETZPJOW-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP Cn1cc([C@H]2[C@H](CNc3[nH+]ccc4[nH]ccc43)OCC[N@@H+]2C)cn1 ZINC000664433279 453091219 /nfs/dbraw/zinc/09/12/19/453091219.db2.gz DAAWAOLIBDLLHQ-HOTGVXAUSA-N 2 2 326.404 1.780 20 0 EDADLP Cn1cc([C@H]2[C@H](CNc3[nH+]ccc4[nH]ccc43)OCC[N@H+]2C)cn1 ZINC000664433279 453091227 /nfs/dbraw/zinc/09/12/27/453091227.db2.gz DAAWAOLIBDLLHQ-HOTGVXAUSA-N 2 2 326.404 1.780 20 0 EDADLP CCc1ccccc1NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102954 453103488 /nfs/dbraw/zinc/10/34/88/453103488.db2.gz YNYKAJLEUIKTLT-UHFFFAOYSA-N 2 2 331.460 1.984 20 0 EDADLP CCc1ccccc1NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102954 453103494 /nfs/dbraw/zinc/10/34/94/453103494.db2.gz YNYKAJLEUIKTLT-UHFFFAOYSA-N 2 2 331.460 1.984 20 0 EDADLP Cc1ccc2c(c1)[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO2 ZINC000664448782 453104881 /nfs/dbraw/zinc/10/48/81/453104881.db2.gz SNWPWDSLTFOEFR-MRXNPFEDSA-N 2 2 334.464 1.611 20 0 EDADLP Cc1ccc2c(c1)[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CO2 ZINC000664448782 453104891 /nfs/dbraw/zinc/10/48/91/453104891.db2.gz SNWPWDSLTFOEFR-MRXNPFEDSA-N 2 2 334.464 1.611 20 0 EDADLP O=C(NCc1nc(C[NH+]2CCCCC2)no1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000646104165 453105831 /nfs/dbraw/zinc/10/58/31/453105831.db2.gz XEIAXCZCZITUCB-CQSZACIVSA-N 2 2 333.436 1.299 20 0 EDADLP O=C(NCc1nc(C[NH+]2CCCCC2)no1)[C@H]1CCC[N@H+]1C1CC1 ZINC000646104165 453105836 /nfs/dbraw/zinc/10/58/36/453105836.db2.gz XEIAXCZCZITUCB-CQSZACIVSA-N 2 2 333.436 1.299 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000666755086 453121166 /nfs/dbraw/zinc/12/11/66/453121166.db2.gz AXJQUYDVEYDBOR-IRXDYDNUSA-N 2 2 340.512 1.469 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000664474835 453127813 /nfs/dbraw/zinc/12/78/13/453127813.db2.gz KKFAHCNDPJBHJO-HOTGVXAUSA-N 2 2 335.452 1.319 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000664474835 453127819 /nfs/dbraw/zinc/12/78/19/453127819.db2.gz KKFAHCNDPJBHJO-HOTGVXAUSA-N 2 2 335.452 1.319 20 0 EDADLP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](CC)CO1 ZINC000650994259 453169683 /nfs/dbraw/zinc/16/96/83/453169683.db2.gz GCHQBIJQLPTNQN-NVXWUHKLSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H](C)CO1 ZINC000664535315 453174357 /nfs/dbraw/zinc/17/43/57/453174357.db2.gz FLNWODSZIZUXDV-IIDMSEBBSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)[C@H](C)CO1 ZINC000664535315 453174365 /nfs/dbraw/zinc/17/43/65/453174365.db2.gz FLNWODSZIZUXDV-IIDMSEBBSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@H](C)CO1 ZINC000664535315 453174372 /nfs/dbraw/zinc/17/43/72/453174372.db2.gz FLNWODSZIZUXDV-IIDMSEBBSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@H](C)CO1 ZINC000664535315 453174380 /nfs/dbraw/zinc/17/43/80/453174380.db2.gz FLNWODSZIZUXDV-IIDMSEBBSA-N 2 2 346.475 1.582 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)CC[NH+]1CCCCC1)n2C ZINC000652990104 453179351 /nfs/dbraw/zinc/17/93/51/453179351.db2.gz GBIZTRXEIFOVHD-UHFFFAOYSA-N 2 2 344.463 1.592 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000655066302 453187397 /nfs/dbraw/zinc/18/73/97/453187397.db2.gz DUQHGOJVXYWGOM-QAPCUYQASA-N 2 2 326.444 1.974 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000655066302 453187407 /nfs/dbraw/zinc/18/74/07/453187407.db2.gz DUQHGOJVXYWGOM-QAPCUYQASA-N 2 2 326.444 1.974 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000655066302 453187416 /nfs/dbraw/zinc/18/74/16/453187416.db2.gz DUQHGOJVXYWGOM-QAPCUYQASA-N 2 2 326.444 1.974 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000655066302 453187428 /nfs/dbraw/zinc/18/74/28/453187428.db2.gz DUQHGOJVXYWGOM-QAPCUYQASA-N 2 2 326.444 1.974 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000664550753 453188361 /nfs/dbraw/zinc/18/83/61/453188361.db2.gz GPKVZCILWQVBFL-HZPDHXFCSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000664550753 453188365 /nfs/dbraw/zinc/18/83/65/453188365.db2.gz GPKVZCILWQVBFL-HZPDHXFCSA-N 2 2 342.528 1.763 20 0 EDADLP C[N@H+](CCn1cc(C[NH+]2CCC[C@H]2CO)nn1)Cc1cccc(F)c1 ZINC000656450675 453191477 /nfs/dbraw/zinc/19/14/77/453191477.db2.gz ZZKFWUSDNJZNFE-SFHVURJKSA-N 2 2 347.438 1.506 20 0 EDADLP C[N@@H+](CCn1cc(C[NH+]2CCC[C@H]2CO)nn1)Cc1cccc(F)c1 ZINC000656450675 453191488 /nfs/dbraw/zinc/19/14/88/453191488.db2.gz ZZKFWUSDNJZNFE-SFHVURJKSA-N 2 2 347.438 1.506 20 0 EDADLP C[NH+](CCn1cc(C[N@@H+]2CCC[C@H]2CO)nn1)Cc1cccc(F)c1 ZINC000656450675 453191499 /nfs/dbraw/zinc/19/14/99/453191499.db2.gz ZZKFWUSDNJZNFE-SFHVURJKSA-N 2 2 347.438 1.506 20 0 EDADLP C[NH+](CCn1cc(C[N@H+]2CCC[C@H]2CO)nn1)Cc1cccc(F)c1 ZINC000656450675 453191506 /nfs/dbraw/zinc/19/15/06/453191506.db2.gz ZZKFWUSDNJZNFE-SFHVURJKSA-N 2 2 347.438 1.506 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648726567 453213941 /nfs/dbraw/zinc/21/39/41/453213941.db2.gz WHGHWJXLXNJLMB-KBAYOESNSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[N@H+]1C ZINC000648726567 453213946 /nfs/dbraw/zinc/21/39/46/453213946.db2.gz WHGHWJXLXNJLMB-KBAYOESNSA-N 2 2 331.460 1.516 20 0 EDADLP O=C(C[NH2+]Cc1nc2c(s1)CCC2)NCC[NH+]1CCCCCC1 ZINC000646215165 453226981 /nfs/dbraw/zinc/22/69/81/453226981.db2.gz HDVKCAQECFPIDR-UHFFFAOYSA-N 2 2 336.505 1.714 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cn21 ZINC000646234888 453245240 /nfs/dbraw/zinc/24/52/40/453245240.db2.gz UIRIYDTUPAWNID-GDBMZVCRSA-N 2 2 327.432 1.579 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC000653076342 453254518 /nfs/dbraw/zinc/25/45/18/453254518.db2.gz RVFJOMSFVAPQFG-CYBMUJFWSA-N 2 2 327.375 1.846 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)CC(C)(C)[NH3+])CC2)c1 ZINC000646251285 453256885 /nfs/dbraw/zinc/25/68/85/453256885.db2.gz KIHYZANKJGLUMQ-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])COC(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000662537829 453261926 /nfs/dbraw/zinc/26/19/26/453261926.db2.gz QMNHTRKIZKCMLC-MSOLQXFVSA-N 2 2 333.476 1.862 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])COC(C)C)CC[N@H+]1Cc1ccccc1 ZINC000662537829 453261931 /nfs/dbraw/zinc/26/19/31/453261931.db2.gz QMNHTRKIZKCMLC-MSOLQXFVSA-N 2 2 333.476 1.862 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000653083279 453265150 /nfs/dbraw/zinc/26/51/50/453265150.db2.gz UAANQTHNUAYKNS-OAHLLOKOSA-N 2 2 339.867 1.741 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000660391505 453266392 /nfs/dbraw/zinc/26/63/92/453266392.db2.gz JDPGPSCDHMBZDF-UHFFFAOYSA-N 2 2 346.475 1.222 20 0 EDADLP CSc1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000648782684 453267155 /nfs/dbraw/zinc/26/71/55/453267155.db2.gz YGKMRJIZVVVGPW-UHFFFAOYSA-N 2 2 336.505 1.902 20 0 EDADLP CSc1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000648782684 453267164 /nfs/dbraw/zinc/26/71/64/453267164.db2.gz YGKMRJIZVVVGPW-UHFFFAOYSA-N 2 2 336.505 1.902 20 0 EDADLP CCc1noc(-c2ccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)n1 ZINC000653086604 453269405 /nfs/dbraw/zinc/26/94/05/453269405.db2.gz XCFUDMJEIPOICO-HNNXBMFYSA-N 2 2 345.447 1.237 20 0 EDADLP Cc1nc(COc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)no1 ZINC000653089072 453272650 /nfs/dbraw/zinc/27/26/50/453272650.db2.gz WTRYKCFROWEKIP-CQSZACIVSA-N 2 2 333.392 1.175 20 0 EDADLP Cc1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1OC1CCOCC1 ZINC000653092496 453274694 /nfs/dbraw/zinc/27/46/94/453274694.db2.gz BFFHMTALMCIUOC-MRXNPFEDSA-N 2 2 335.448 1.770 20 0 EDADLP C[C@@H](Cc1ccccc1Br)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653100554 453283377 /nfs/dbraw/zinc/28/33/77/453283377.db2.gz QUNBSVYSWASVPJ-FZMZJTMJSA-N 2 2 342.281 1.775 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653108950 453294055 /nfs/dbraw/zinc/29/40/55/453294055.db2.gz NHMJZYIPFZHGBS-APWZRJJASA-N 3 2 346.519 1.814 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653108950 453294058 /nfs/dbraw/zinc/29/40/58/453294058.db2.gz NHMJZYIPFZHGBS-APWZRJJASA-N 3 2 346.519 1.814 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000653114222 453301432 /nfs/dbraw/zinc/30/14/32/453301432.db2.gz AMVIUWYWPUGIGG-INIZCTEOSA-N 3 2 336.505 1.453 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CCc2nc(C(C)=O)c(C)[nH]2)CC1 ZINC000660453407 453322416 /nfs/dbraw/zinc/32/24/16/453322416.db2.gz LZFKWXSWNFZRJW-UHFFFAOYSA-N 2 2 343.431 1.689 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CCc2nc(C)c(C(C)=O)[nH]2)CC1 ZINC000660453407 453322420 /nfs/dbraw/zinc/32/24/20/453322420.db2.gz LZFKWXSWNFZRJW-UHFFFAOYSA-N 2 2 343.431 1.689 20 0 EDADLP C[C@H]1C[NH+](CCN2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000660482640 453338428 /nfs/dbraw/zinc/33/84/28/453338428.db2.gz HLMVXHDUOYEMIW-OKZBNKHCSA-N 2 2 325.497 1.140 20 0 EDADLP Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653155508 453347721 /nfs/dbraw/zinc/34/77/21/453347721.db2.gz WVNZRNUWAHJHAZ-OAHLLOKOSA-N 2 2 332.448 1.352 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCOc2c(Cl)cccc21 ZINC000653158980 453350374 /nfs/dbraw/zinc/35/03/74/453350374.db2.gz QLVAZPXRBAYBQG-KBPBESRZSA-N 2 2 325.840 1.949 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662660066 453373986 /nfs/dbraw/zinc/37/39/86/453373986.db2.gz BIPWVVGSVDAXTC-MSOLQXFVSA-N 3 2 332.492 1.041 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000662660066 453373993 /nfs/dbraw/zinc/37/39/93/453373993.db2.gz BIPWVVGSVDAXTC-MSOLQXFVSA-N 3 2 332.492 1.041 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662664301 453378720 /nfs/dbraw/zinc/37/87/20/453378720.db2.gz QYPAAOWECHIJAJ-CQSZACIVSA-N 2 2 339.403 1.170 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662667713 453379570 /nfs/dbraw/zinc/37/95/70/453379570.db2.gz DGNOZEBMUOMPIG-CZUORRHYSA-N 2 2 341.402 1.438 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662667713 453379577 /nfs/dbraw/zinc/37/95/77/453379577.db2.gz DGNOZEBMUOMPIG-CZUORRHYSA-N 2 2 341.402 1.438 20 0 EDADLP Cc1cc(Br)c(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000662667649 453380990 /nfs/dbraw/zinc/38/09/90/453380990.db2.gz BWEYFWNWMXQYJZ-SNVBAGLBSA-N 2 2 334.283 1.714 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000658780657 453388416 /nfs/dbraw/zinc/38/84/16/453388416.db2.gz XHNJKZNMTVCATQ-OAHLLOKOSA-N 2 2 341.415 1.411 20 0 EDADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1(O)C[NH2+]C1 ZINC000662678621 453397584 /nfs/dbraw/zinc/39/75/84/453397584.db2.gz HCTNPVZYNXQMNW-CYBMUJFWSA-N 2 2 341.814 1.067 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000653260017 453442432 /nfs/dbraw/zinc/44/24/32/453442432.db2.gz BHIQOUXHWOSGRN-DJIMGWMZSA-N 2 2 342.443 1.764 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000651322060 453469122 /nfs/dbraw/zinc/46/91/22/453469122.db2.gz BJHVPXVEMOGNFL-HZPDHXFCSA-N 3 2 345.491 1.039 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000651322060 453469126 /nfs/dbraw/zinc/46/91/26/453469126.db2.gz BJHVPXVEMOGNFL-HZPDHXFCSA-N 3 2 345.491 1.039 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000660643421 453484126 /nfs/dbraw/zinc/48/41/26/453484126.db2.gz ZIEHFTMLWFYQCI-IKGGRYGDSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000660643421 453484135 /nfs/dbraw/zinc/48/41/35/453484135.db2.gz ZIEHFTMLWFYQCI-IKGGRYGDSA-N 2 2 338.496 1.223 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1F ZINC000662755160 453491228 /nfs/dbraw/zinc/49/12/28/453491228.db2.gz XBLKFUKYRRUCJB-KRWDZBQOSA-N 2 2 346.381 1.704 20 0 EDADLP CC(C)[N@H+](C)Cc1nc(-c2ccc(N3CC[NH+](C)CC3)cn2)no1 ZINC000664936226 453501567 /nfs/dbraw/zinc/50/15/67/453501567.db2.gz NZECXQDLNKKECC-UHFFFAOYSA-N 2 2 330.436 1.724 20 0 EDADLP CC(C)[N@@H+](C)Cc1nc(-c2ccc(N3CC[NH+](C)CC3)cn2)no1 ZINC000664936226 453501574 /nfs/dbraw/zinc/50/15/74/453501574.db2.gz NZECXQDLNKKECC-UHFFFAOYSA-N 2 2 330.436 1.724 20 0 EDADLP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000660707010 453534540 /nfs/dbraw/zinc/53/45/40/453534540.db2.gz KVHUCDPBMSWXED-BBWFWOEESA-N 2 2 340.512 1.515 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910525 453599000 /nfs/dbraw/zinc/59/90/00/453599000.db2.gz OVAMAXHVWADVMA-UHFFFAOYSA-N 2 2 345.487 1.633 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000662946141 453619732 /nfs/dbraw/zinc/61/97/32/453619732.db2.gz AQMSCAJTZKHMAQ-ROUUACIJSA-N 2 2 349.475 1.277 20 0 EDADLP NC(=O)c1csc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665273186 453632663 /nfs/dbraw/zinc/63/26/63/453632663.db2.gz RCWGLRZUPBTNLQ-YVEFUNNKSA-N 2 2 344.440 1.588 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4cnccc4n3)C2)CC1 ZINC000665295125 453640288 /nfs/dbraw/zinc/64/02/88/453640288.db2.gz PRCMWQZVIVDDHC-HNNXBMFYSA-N 2 2 339.443 1.528 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4cnccc4n3)C2)CC1 ZINC000665295125 453640292 /nfs/dbraw/zinc/64/02/92/453640292.db2.gz PRCMWQZVIVDDHC-HNNXBMFYSA-N 2 2 339.443 1.528 20 0 EDADLP C[C@H](C(=O)N[C@@]1(C)CC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000663012685 453646164 /nfs/dbraw/zinc/64/61/64/453646164.db2.gz XQYUCROSOHZLMX-KDOFPFPSSA-N 2 2 334.439 1.204 20 0 EDADLP COc1ccccc1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657072397 453662026 /nfs/dbraw/zinc/66/20/26/453662026.db2.gz XDEUEQVLTXFUQH-AWEZNQCLSA-N 2 2 343.493 1.246 20 0 EDADLP COc1ccccc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657072397 453662028 /nfs/dbraw/zinc/66/20/28/453662028.db2.gz XDEUEQVLTXFUQH-AWEZNQCLSA-N 2 2 343.493 1.246 20 0 EDADLP CSc1ccccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657093086 453676405 /nfs/dbraw/zinc/67/64/05/453676405.db2.gz XWKXIFXBBKMRJM-UHFFFAOYSA-N 2 2 345.534 1.570 20 0 EDADLP CSc1ccccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657093086 453676409 /nfs/dbraw/zinc/67/64/09/453676409.db2.gz XWKXIFXBBKMRJM-UHFFFAOYSA-N 2 2 345.534 1.570 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659292991 453705206 /nfs/dbraw/zinc/70/52/06/453705206.db2.gz TWCJIQVEZFJJKH-INMHGKMJSA-N 2 2 349.475 1.987 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000672309436 486690847 /nfs/dbraw/zinc/69/08/47/486690847.db2.gz RSFCUCDOWNQHKG-CABCVRRESA-N 2 2 345.447 1.064 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000672309436 486690849 /nfs/dbraw/zinc/69/08/49/486690849.db2.gz RSFCUCDOWNQHKG-CABCVRRESA-N 2 2 345.447 1.064 20 0 EDADLP Nc1[nH+]cnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1Cl ZINC000683393033 486706252 /nfs/dbraw/zinc/70/62/52/486706252.db2.gz WTSSUIBAYTUOKR-LBPRGKRZSA-N 2 2 325.844 1.793 20 0 EDADLP Nc1nc[nH+]c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1Cl ZINC000683393033 486706254 /nfs/dbraw/zinc/70/62/54/486706254.db2.gz WTSSUIBAYTUOKR-LBPRGKRZSA-N 2 2 325.844 1.793 20 0 EDADLP O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680328854 486751899 /nfs/dbraw/zinc/75/18/99/486751899.db2.gz JPFOPYQCMTZWBQ-SJORKVTESA-N 2 2 332.473 1.965 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000671349695 486826400 /nfs/dbraw/zinc/82/64/00/486826400.db2.gz IRHQYNQGWSNBND-AWEZNQCLSA-N 2 2 344.419 1.256 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)ccc2n1C ZINC000667538796 486831850 /nfs/dbraw/zinc/83/18/50/486831850.db2.gz NQSLYULFINTFHJ-DOMZBBRYSA-N 2 2 341.415 1.031 20 0 EDADLP FC(F)(F)COCCC[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667556809 486843037 /nfs/dbraw/zinc/84/30/37/486843037.db2.gz GUAXOINEXMHTHW-UHFFFAOYSA-N 2 2 346.397 1.916 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)n3cccn3)CC2)CC1 ZINC000667642383 486894911 /nfs/dbraw/zinc/89/49/11/486894911.db2.gz ZLXSOWHOMZDROM-UHFFFAOYSA-N 2 2 333.480 1.293 20 0 EDADLP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH+]cn1C ZINC000673093935 486908857 /nfs/dbraw/zinc/90/88/57/486908857.db2.gz DCHGVRXQZVJGDJ-LJQANCHMSA-N 2 2 342.443 1.058 20 0 EDADLP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH+]cn1C ZINC000673093935 486908863 /nfs/dbraw/zinc/90/88/63/486908863.db2.gz DCHGVRXQZVJGDJ-LJQANCHMSA-N 2 2 342.443 1.058 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccnn2CC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000667683512 486911977 /nfs/dbraw/zinc/91/19/77/486911977.db2.gz SCOHMAAFZFYQHG-QFBILLFUSA-N 2 2 331.508 1.751 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccnn2CC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000667683512 486911980 /nfs/dbraw/zinc/91/19/80/486911980.db2.gz SCOHMAAFZFYQHG-QFBILLFUSA-N 2 2 331.508 1.751 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccnn2CC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000667683510 486912202 /nfs/dbraw/zinc/91/22/02/486912202.db2.gz SCOHMAAFZFYQHG-APWZRJJASA-N 2 2 331.508 1.751 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccnn2CC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000667683510 486912208 /nfs/dbraw/zinc/91/22/08/486912208.db2.gz SCOHMAAFZFYQHG-APWZRJJASA-N 2 2 331.508 1.751 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CCOC2 ZINC000667837571 486987554 /nfs/dbraw/zinc/98/75/54/486987554.db2.gz WTGYBKBPJZFNQB-UHFFFAOYSA-N 2 2 334.464 1.764 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CCOC2 ZINC000667837571 486987558 /nfs/dbraw/zinc/98/75/58/486987558.db2.gz WTGYBKBPJZFNQB-UHFFFAOYSA-N 2 2 334.464 1.764 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH]n1 ZINC000677332974 487047886 /nfs/dbraw/zinc/04/78/86/487047886.db2.gz QZYPRBABTWQZCB-SJPCQFCGSA-N 2 2 346.479 1.171 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]n1 ZINC000677332974 487047890 /nfs/dbraw/zinc/04/78/90/487047890.db2.gz QZYPRBABTWQZCB-SJPCQFCGSA-N 2 2 346.479 1.171 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000677577808 487122533 /nfs/dbraw/zinc/12/25/33/487122533.db2.gz NKEQFDIGYQCNGR-MRXNPFEDSA-N 3 2 339.528 1.184 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2[nH+]1 ZINC000668159688 487124500 /nfs/dbraw/zinc/12/45/00/487124500.db2.gz CESICTCTYBRUPK-HNNXBMFYSA-N 2 2 343.431 1.829 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862260 487136391 /nfs/dbraw/zinc/13/63/91/487136391.db2.gz IZOHOIWBQCIGAE-CYBMUJFWSA-N 2 2 330.392 1.110 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862260 487136395 /nfs/dbraw/zinc/13/63/95/487136395.db2.gz IZOHOIWBQCIGAE-CYBMUJFWSA-N 2 2 330.392 1.110 20 0 EDADLP Cc1cncc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000677653339 487142005 /nfs/dbraw/zinc/14/20/05/487142005.db2.gz LCSKZQUOYZDRIL-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1cncc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000677653339 487142010 /nfs/dbraw/zinc/14/20/10/487142010.db2.gz LCSKZQUOYZDRIL-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000684954584 487200385 /nfs/dbraw/zinc/20/03/85/487200385.db2.gz AKVRLHGEXYQNDH-IAGOWNOFSA-N 2 2 330.476 1.991 20 0 EDADLP C[C@H](NC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1)C1CC[NH+](C)CC1 ZINC000681874291 487214234 /nfs/dbraw/zinc/21/42/34/487214234.db2.gz ONRAYSIXZRTBMP-LSDHHAIUSA-N 2 2 333.480 1.817 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000674321962 487236155 /nfs/dbraw/zinc/23/61/55/487236155.db2.gz DYOPJJBQCWAFHC-UHFFFAOYSA-N 2 2 343.475 1.793 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000674321962 487236157 /nfs/dbraw/zinc/23/61/57/487236157.db2.gz DYOPJJBQCWAFHC-UHFFFAOYSA-N 2 2 343.475 1.793 20 0 EDADLP COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000674465753 487261985 /nfs/dbraw/zinc/26/19/85/487261985.db2.gz DHBIRFBWTQFGRR-SFHVURJKSA-N 2 2 347.459 1.568 20 0 EDADLP COC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000674465753 487261986 /nfs/dbraw/zinc/26/19/86/487261986.db2.gz DHBIRFBWTQFGRR-SFHVURJKSA-N 2 2 347.459 1.568 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678267377 487278245 /nfs/dbraw/zinc/27/82/45/487278245.db2.gz PUYCBXUHBQAWLM-UHFFFAOYSA-N 2 2 345.487 1.857 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678267377 487278250 /nfs/dbraw/zinc/27/82/50/487278250.db2.gz PUYCBXUHBQAWLM-UHFFFAOYSA-N 2 2 345.487 1.857 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1CC(C)(C)O ZINC000682048277 487294709 /nfs/dbraw/zinc/29/47/09/487294709.db2.gz MDZDARXCCMGQFR-ZDUSSCGKSA-N 2 2 331.420 1.643 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1CC(C)(C)O ZINC000682048277 487294710 /nfs/dbraw/zinc/29/47/10/487294710.db2.gz MDZDARXCCMGQFR-ZDUSSCGKSA-N 2 2 331.420 1.643 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000533833015 487350736 /nfs/dbraw/zinc/35/07/36/487350736.db2.gz QPGMIRCHJBOXPI-MRXNPFEDSA-N 2 2 334.383 1.579 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000533833015 487350739 /nfs/dbraw/zinc/35/07/39/487350739.db2.gz QPGMIRCHJBOXPI-MRXNPFEDSA-N 2 2 334.383 1.579 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000675781959 487443508 /nfs/dbraw/zinc/44/35/08/487443508.db2.gz IPTSPVWMGLNSIX-LBPRGKRZSA-N 2 2 325.840 1.773 20 0 EDADLP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782383 487443832 /nfs/dbraw/zinc/44/38/32/487443832.db2.gz QDZMPBSDLFHDLE-GFCCVEGCSA-N 2 2 325.840 1.773 20 0 EDADLP COc1ccc(CC[C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1O ZINC000683162513 487455952 /nfs/dbraw/zinc/45/59/52/487455952.db2.gz OIFAATNZXVFZIV-CQSZACIVSA-N 2 2 335.448 1.086 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCC1 ZINC000670536058 485491866 /nfs/dbraw/zinc/49/18/66/485491866.db2.gz ARHCYSWKWISLIJ-HNNXBMFYSA-N 2 2 347.463 1.037 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])Oc1cccc(F)c1 ZINC000669524294 485493354 /nfs/dbraw/zinc/49/33/54/485493354.db2.gz NVVZQRHPXHIRRB-HUUCEWRRSA-N 2 2 338.427 1.267 20 0 EDADLP CC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])Oc1cccc(F)c1 ZINC000669524294 485493357 /nfs/dbraw/zinc/49/33/57/485493357.db2.gz NVVZQRHPXHIRRB-HUUCEWRRSA-N 2 2 338.427 1.267 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000669550314 485543141 /nfs/dbraw/zinc/54/31/41/485543141.db2.gz KSNWHPFVVUGOKO-BRWVUGGUSA-N 2 2 332.448 1.049 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000669550314 485543147 /nfs/dbraw/zinc/54/31/47/485543147.db2.gz KSNWHPFVVUGOKO-BRWVUGGUSA-N 2 2 332.448 1.049 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324370775 485547507 /nfs/dbraw/zinc/54/75/07/485547507.db2.gz KQABODJQQYBECD-DLBZAZTESA-N 2 2 331.460 1.775 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324370775 485547516 /nfs/dbraw/zinc/54/75/16/485547516.db2.gz KQABODJQQYBECD-DLBZAZTESA-N 2 2 331.460 1.775 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000669021128 485568204 /nfs/dbraw/zinc/56/82/04/485568204.db2.gz FYJCNNGRLOWJCH-HOCLYGCPSA-N 2 2 347.463 1.330 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC000670810313 485590303 /nfs/dbraw/zinc/59/03/03/485590303.db2.gz FPZLFMVNKCDIPZ-INIZCTEOSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC000670810313 485590315 /nfs/dbraw/zinc/59/03/15/485590315.db2.gz FPZLFMVNKCDIPZ-INIZCTEOSA-N 2 2 339.399 1.977 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985169 485607118 /nfs/dbraw/zinc/60/71/18/485607118.db2.gz BRDPRICAMWETLS-KSZLIROESA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985169 485607127 /nfs/dbraw/zinc/60/71/27/485607127.db2.gz BRDPRICAMWETLS-KSZLIROESA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cc(O)cc(=O)[nH]2)([NH+]2CCCCC2)CC1 ZINC000669251854 485858663 /nfs/dbraw/zinc/85/86/63/485858663.db2.gz HAOJLHLORGKQIW-UHFFFAOYSA-N 2 2 348.447 1.173 20 0 EDADLP CN(C(=O)c1c(C2CC2)cnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668619124 485960498 /nfs/dbraw/zinc/96/04/98/485960498.db2.gz ZNSNRYXIFLCFER-INIZCTEOSA-N 2 2 345.491 1.538 20 0 EDADLP CN(C(=O)c1c(C2CC2)cnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668619124 485960503 /nfs/dbraw/zinc/96/05/03/485960503.db2.gz ZNSNRYXIFLCFER-INIZCTEOSA-N 2 2 345.491 1.538 20 0 EDADLP CO[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000668638685 485980641 /nfs/dbraw/zinc/98/06/41/485980641.db2.gz AKSLARHOIJYQOL-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP CO[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000668638685 485980646 /nfs/dbraw/zinc/98/06/46/485980646.db2.gz AKSLARHOIJYQOL-WMZOPIPTSA-N 2 2 337.508 1.866 20 0 EDADLP CCOC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000668687055 486045521 /nfs/dbraw/zinc/04/55/21/486045521.db2.gz FSMNAOXWHKSJSF-UHFFFAOYSA-N 2 2 341.496 1.057 20 0 EDADLP CCOC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCOCC1 ZINC000668687055 486045526 /nfs/dbraw/zinc/04/55/26/486045526.db2.gz FSMNAOXWHKSJSF-UHFFFAOYSA-N 2 2 341.496 1.057 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@@H+]1C[C@@H](C)O ZINC000272304207 486058169 /nfs/dbraw/zinc/05/81/69/486058169.db2.gz JLNKZVCJVURCKV-HUUCEWRRSA-N 2 2 343.431 1.185 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@H+]1C[C@@H](C)O ZINC000272304207 486058178 /nfs/dbraw/zinc/05/81/78/486058178.db2.gz JLNKZVCJVURCKV-HUUCEWRRSA-N 2 2 343.431 1.185 20 0 EDADLP Cc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1Oc1cc[nH+]cc1 ZINC000629173518 486114044 /nfs/dbraw/zinc/11/40/44/486114044.db2.gz IEMZAXCAXCHFIC-MRXNPFEDSA-N 2 2 341.411 1.979 20 0 EDADLP Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1Oc1cc[nH+]cc1 ZINC000629173518 486114051 /nfs/dbraw/zinc/11/40/51/486114051.db2.gz IEMZAXCAXCHFIC-MRXNPFEDSA-N 2 2 341.411 1.979 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000669484315 486249867 /nfs/dbraw/zinc/24/98/67/486249867.db2.gz QHTGBKNXRLOLKJ-HNNXBMFYSA-N 3 2 337.512 1.116 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000669484315 486249872 /nfs/dbraw/zinc/24/98/72/486249872.db2.gz QHTGBKNXRLOLKJ-HNNXBMFYSA-N 3 2 337.512 1.116 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1 ZINC000668873908 486287098 /nfs/dbraw/zinc/28/70/98/486287098.db2.gz WHGJETIISMOHBY-OAHLLOKOSA-N 2 2 327.432 1.903 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000668931557 486357051 /nfs/dbraw/zinc/35/70/51/486357051.db2.gz MBJXBIRDZRARBP-MAUKXSAKSA-N 2 2 339.443 1.825 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)c2cc1C ZINC000669943568 486525454 /nfs/dbraw/zinc/52/54/54/486525454.db2.gz IQMKEMXZVZUYGI-HRCADAONSA-N 2 2 331.416 1.114 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@@H]4COC[C@H](C3)O4)c2cc1C ZINC000669943568 486525456 /nfs/dbraw/zinc/52/54/56/486525456.db2.gz IQMKEMXZVZUYGI-HRCADAONSA-N 2 2 331.416 1.114 20 0 EDADLP COc1cc2cc[nH+]c(N3CCC[N@H+](CCO)CC3)c2cc1OC ZINC000392379707 486571719 /nfs/dbraw/zinc/57/17/19/486571719.db2.gz KRAFFELNZDRMDU-UHFFFAOYSA-N 2 2 331.416 1.756 20 0 EDADLP COc1cc2cc[nH+]c(N3CCC[N@@H+](CCO)CC3)c2cc1OC ZINC000392379707 486571721 /nfs/dbraw/zinc/57/17/21/486571721.db2.gz KRAFFELNZDRMDU-UHFFFAOYSA-N 2 2 331.416 1.756 20 0 EDADLP O=C(c1cccc2c1CC[NH2+]C2)N1CC[NH+](Cc2cccnc2)CC1 ZINC000392824800 486583252 /nfs/dbraw/zinc/58/32/52/486583252.db2.gz KGCUHGSNRAXDIL-UHFFFAOYSA-N 2 2 336.439 1.685 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000670079297 486604928 /nfs/dbraw/zinc/60/49/28/486604928.db2.gz IEUMUBSAUUZIEL-DOTOQJQBSA-N 2 2 347.463 1.069 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000670080167 486605840 /nfs/dbraw/zinc/60/58/40/486605840.db2.gz VTXRDZNBTYAPBS-UHFFFAOYSA-N 2 2 349.479 1.580 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cccc(Br)c1 ZINC000380665657 486643113 /nfs/dbraw/zinc/64/31/13/486643113.db2.gz UXUIOSBOXNVLRH-OAHLLOKOSA-N 2 2 345.281 1.820 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cccc(Br)c1 ZINC000380665657 486643116 /nfs/dbraw/zinc/64/31/16/486643116.db2.gz UXUIOSBOXNVLRH-OAHLLOKOSA-N 2 2 345.281 1.820 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000380665657 486643119 /nfs/dbraw/zinc/64/31/19/486643119.db2.gz UXUIOSBOXNVLRH-OAHLLOKOSA-N 2 2 345.281 1.820 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000380665657 486643121 /nfs/dbraw/zinc/64/31/21/486643121.db2.gz UXUIOSBOXNVLRH-OAHLLOKOSA-N 2 2 345.281 1.820 20 0 EDADLP C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092042621 491201587 /nfs/dbraw/zinc/20/15/87/491201587.db2.gz PUNAGOXYCYTYIM-QFBILLFUSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092042621 491201588 /nfs/dbraw/zinc/20/15/88/491201588.db2.gz PUNAGOXYCYTYIM-QFBILLFUSA-N 2 2 334.460 1.743 20 0 EDADLP CN(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000120058533 490996758 /nfs/dbraw/zinc/99/67/58/490996758.db2.gz IJCXZGIDSBROSQ-SFHVURJKSA-N 2 2 331.508 1.750 20 0 EDADLP CN(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000120058533 490996759 /nfs/dbraw/zinc/99/67/59/490996759.db2.gz IJCXZGIDSBROSQ-SFHVURJKSA-N 2 2 331.508 1.750 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193626792 491005846 /nfs/dbraw/zinc/00/58/46/491005846.db2.gz CYVRPGFQPNNWOI-RWMBFGLXSA-N 2 2 334.395 1.356 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193626792 491005848 /nfs/dbraw/zinc/00/58/48/491005848.db2.gz CYVRPGFQPNNWOI-RWMBFGLXSA-N 2 2 334.395 1.356 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193626792 491005850 /nfs/dbraw/zinc/00/58/50/491005850.db2.gz CYVRPGFQPNNWOI-RWMBFGLXSA-N 2 2 334.395 1.356 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193626792 491005851 /nfs/dbraw/zinc/00/58/51/491005851.db2.gz CYVRPGFQPNNWOI-RWMBFGLXSA-N 2 2 334.395 1.356 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450366117 491013864 /nfs/dbraw/zinc/01/38/64/491013864.db2.gz SOYMRQIOQQVRST-CVEARBPZSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450366117 491013866 /nfs/dbraw/zinc/01/38/66/491013866.db2.gz SOYMRQIOQQVRST-CVEARBPZSA-N 2 2 346.475 1.476 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669209993 491187008 /nfs/dbraw/zinc/18/70/08/491187008.db2.gz CXUVYZJFJLFQLN-MSOLQXFVSA-N 2 2 339.443 1.825 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000186800734 534081920 /nfs/dbraw/zinc/08/19/20/534081920.db2.gz UOZAAHYIEXGHMW-HYVNUMGLSA-N 2 2 333.501 1.891 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCCC3)CC2)cc1 ZINC000298734515 518151608 /nfs/dbraw/zinc/15/16/08/518151608.db2.gz ZFMGTVYGNAJBSF-UHFFFAOYSA-N 2 2 331.460 1.825 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000416885986 518189790 /nfs/dbraw/zinc/18/97/90/518189790.db2.gz NBFAYLWZCBLIAB-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP Cc1cnccc1CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000163968881 534695781 /nfs/dbraw/zinc/69/57/81/534695781.db2.gz MTXJJZZPMGIXMA-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP Cc1cnccc1CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000163968881 534695786 /nfs/dbraw/zinc/69/57/86/534695786.db2.gz MTXJJZZPMGIXMA-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000174233306 527848991 /nfs/dbraw/zinc/84/89/91/527848991.db2.gz LEZHFGVUYRUZKF-QGZVFWFLSA-N 2 2 345.491 1.002 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000174233306 527848996 /nfs/dbraw/zinc/84/89/96/527848996.db2.gz LEZHFGVUYRUZKF-QGZVFWFLSA-N 2 2 345.491 1.002 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000153166160 528309707 /nfs/dbraw/zinc/30/97/07/528309707.db2.gz VSKBDGBJBUGZCE-DLBZAZTESA-N 2 2 341.411 1.931 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000153166160 528309710 /nfs/dbraw/zinc/30/97/10/528309710.db2.gz VSKBDGBJBUGZCE-DLBZAZTESA-N 2 2 341.411 1.931 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC000174224378 528882838 /nfs/dbraw/zinc/88/28/38/528882838.db2.gz XVBBBYWAAAMHLX-UHFFFAOYSA-N 2 2 342.528 1.905 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC000174224378 528882843 /nfs/dbraw/zinc/88/28/43/528882843.db2.gz XVBBBYWAAAMHLX-UHFFFAOYSA-N 2 2 342.528 1.905 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000054510550 534939617 /nfs/dbraw/zinc/93/96/17/534939617.db2.gz JJEGMUNGHXNVPU-INIZCTEOSA-N 2 2 331.464 1.645 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000054510550 534939622 /nfs/dbraw/zinc/93/96/22/534939622.db2.gz JJEGMUNGHXNVPU-INIZCTEOSA-N 2 2 331.464 1.645 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC000339711139 535101790 /nfs/dbraw/zinc/10/17/90/535101790.db2.gz KHTQCSGFEIIFQN-HOTGVXAUSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21)[NH+]1CCOCC1 ZINC000339711139 535101792 /nfs/dbraw/zinc/10/17/92/535101792.db2.gz KHTQCSGFEIIFQN-HOTGVXAUSA-N 2 2 337.508 1.724 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000353323212 535102331 /nfs/dbraw/zinc/10/23/31/535102331.db2.gz JRMJBVZZYCRYHP-GOSISDBHSA-N 2 2 339.524 1.972 20 0 EDADLP CC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000347189437 535196025 /nfs/dbraw/zinc/19/60/25/535196025.db2.gz DKOJBVKLEAGNTQ-UHFFFAOYSA-N 2 2 331.460 1.178 20 0 EDADLP CCC[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000063755952 535248640 /nfs/dbraw/zinc/24/86/40/535248640.db2.gz PNJGWXXQYHSVAO-UHFFFAOYSA-N 2 2 333.480 1.899 20 0 EDADLP CCC[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000063755952 535248645 /nfs/dbraw/zinc/24/86/45/535248645.db2.gz PNJGWXXQYHSVAO-UHFFFAOYSA-N 2 2 333.480 1.899 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H](OCCO)C3)sc2C1 ZINC000346228800 535251866 /nfs/dbraw/zinc/25/18/66/535251866.db2.gz UNHWEPQEMACBEW-CQSZACIVSA-N 2 2 339.505 1.883 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H](OCCO)C3)sc2C1 ZINC000346228800 535251868 /nfs/dbraw/zinc/25/18/68/535251868.db2.gz UNHWEPQEMACBEW-CQSZACIVSA-N 2 2 339.505 1.883 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H](OCCO)C3)sc2C1 ZINC000346228800 535251871 /nfs/dbraw/zinc/25/18/71/535251871.db2.gz UNHWEPQEMACBEW-CQSZACIVSA-N 2 2 339.505 1.883 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H](OCCO)C3)sc2C1 ZINC000346228800 535251874 /nfs/dbraw/zinc/25/18/74/535251874.db2.gz UNHWEPQEMACBEW-CQSZACIVSA-N 2 2 339.505 1.883 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000236961353 535654921 /nfs/dbraw/zinc/65/49/21/535654921.db2.gz JLRGAVILKQAYCI-RDTXWAMCSA-N 2 2 346.475 1.579 20 0 EDADLP CCn1nccc1/C=C/C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000269991803 535845201 /nfs/dbraw/zinc/84/52/01/535845201.db2.gz SPKWUITUUWVOFM-SNAWJCMRSA-N 2 2 345.491 1.591 20 0 EDADLP CCc1ccccc1NC(=O)CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262080902 535949354 /nfs/dbraw/zinc/94/93/54/535949354.db2.gz TUDNLTDVSCFDHT-FQEVSTJZSA-N 2 2 344.503 1.805 20 0 EDADLP CN(C(=O)CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000346832701 535988874 /nfs/dbraw/zinc/98/88/74/535988874.db2.gz MEMVUXGPPUZLRA-QGZVFWFLSA-N 2 2 336.524 1.395 20 0 EDADLP CN(C(=O)C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000346832701 535988876 /nfs/dbraw/zinc/98/88/76/535988876.db2.gz MEMVUXGPPUZLRA-QGZVFWFLSA-N 2 2 336.524 1.395 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[C@@H]([NH3+])c2ccccc2)no1 ZINC000237061701 536062787 /nfs/dbraw/zinc/06/27/87/536062787.db2.gz CPPSAOQOTVEECC-CYBMUJFWSA-N 2 2 331.420 1.573 20 0 EDADLP CC[C@H](COC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000126058284 536115315 /nfs/dbraw/zinc/11/53/15/536115315.db2.gz DCHXETYZHSQBFB-VPSFDDGASA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@H](COC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000126058284 536115322 /nfs/dbraw/zinc/11/53/22/536115322.db2.gz DCHXETYZHSQBFB-VPSFDDGASA-N 2 2 338.496 1.364 20 0 EDADLP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000261729692 536360812 /nfs/dbraw/zinc/36/08/12/536360812.db2.gz JHABXIJPWUDYKB-OAHLLOKOSA-N 2 2 336.505 1.076 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000347739295 536785206 /nfs/dbraw/zinc/78/52/06/536785206.db2.gz DKDBAMSRBQFACW-UHFFFAOYSA-N 2 2 349.479 1.190 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000347739295 536785212 /nfs/dbraw/zinc/78/52/12/536785212.db2.gz DKDBAMSRBQFACW-UHFFFAOYSA-N 2 2 349.479 1.190 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000737647186 578277908 /nfs/dbraw/zinc/27/79/08/578277908.db2.gz CJMGCOAMDULILD-CYBMUJFWSA-N 2 2 346.410 1.160 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000737647186 578277909 /nfs/dbraw/zinc/27/79/09/578277909.db2.gz CJMGCOAMDULILD-CYBMUJFWSA-N 2 2 346.410 1.160 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000726254336 578338407 /nfs/dbraw/zinc/33/84/07/578338407.db2.gz GPTQRANVTSXAIF-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000726254336 578338408 /nfs/dbraw/zinc/33/84/08/578338408.db2.gz GPTQRANVTSXAIF-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCC[C@H]2C)CCO1 ZINC000726258971 578340027 /nfs/dbraw/zinc/34/00/27/578340027.db2.gz ZCCKVZZTPCUIPK-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCC[C@H]2C)CCO1 ZINC000726258971 578340028 /nfs/dbraw/zinc/34/00/28/578340028.db2.gz ZCCKVZZTPCUIPK-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000726258971 578340030 /nfs/dbraw/zinc/34/00/30/578340030.db2.gz ZCCKVZZTPCUIPK-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC000726258971 578340031 /nfs/dbraw/zinc/34/00/31/578340031.db2.gz ZCCKVZZTPCUIPK-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729929926 578602613 /nfs/dbraw/zinc/60/26/13/578602613.db2.gz CLXXJPZUPMWZAO-KBPBESRZSA-N 2 2 326.872 1.976 20 0 EDADLP Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729929926 578602614 /nfs/dbraw/zinc/60/26/14/578602614.db2.gz CLXXJPZUPMWZAO-KBPBESRZSA-N 2 2 326.872 1.976 20 0 EDADLP CN(C(=O)/C=C\c1cccnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559922 578717863 /nfs/dbraw/zinc/71/78/63/578717863.db2.gz SSHKSBIVVACMAL-OOFWQKGWSA-N 2 2 328.460 1.722 20 0 EDADLP CN(C(=O)/C=C\c1cccnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559922 578717865 /nfs/dbraw/zinc/71/78/65/578717865.db2.gz SSHKSBIVVACMAL-OOFWQKGWSA-N 2 2 328.460 1.722 20 0 EDADLP Cc1nn(C)c(N(C)C)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000733328821 578759617 /nfs/dbraw/zinc/75/96/17/578759617.db2.gz DOELUUGXIRRRCV-MRXNPFEDSA-N 2 2 335.496 1.528 20 0 EDADLP C[C@H](Cc1ccco1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734267691 578805658 /nfs/dbraw/zinc/80/56/58/578805658.db2.gz AKNTWYBHUMKLKE-HUUCEWRRSA-N 2 2 334.464 1.678 20 0 EDADLP C[C@H](Cc1ccco1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734267691 578805659 /nfs/dbraw/zinc/80/56/59/578805659.db2.gz AKNTWYBHUMKLKE-HUUCEWRRSA-N 2 2 334.464 1.678 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000760876313 580040429 /nfs/dbraw/zinc/04/04/29/580040429.db2.gz REKOEUGWWRPPKV-INIZCTEOSA-N 2 2 346.431 1.293 20 0 EDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000736199216 578962595 /nfs/dbraw/zinc/96/25/95/578962595.db2.gz WIMVPLAGJIUSEG-CYBMUJFWSA-N 2 2 330.436 1.316 20 0 EDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000736199216 578962596 /nfs/dbraw/zinc/96/25/96/578962596.db2.gz WIMVPLAGJIUSEG-CYBMUJFWSA-N 2 2 330.436 1.316 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000736225827 578965048 /nfs/dbraw/zinc/96/50/48/578965048.db2.gz FCRHSDQRERSBOO-DOMZBBRYSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000736225827 578965049 /nfs/dbraw/zinc/96/50/49/578965049.db2.gz FCRHSDQRERSBOO-DOMZBBRYSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736225827 578965050 /nfs/dbraw/zinc/96/50/50/578965050.db2.gz FCRHSDQRERSBOO-DOMZBBRYSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736225827 578965051 /nfs/dbraw/zinc/96/50/51/578965051.db2.gz FCRHSDQRERSBOO-DOMZBBRYSA-N 2 2 343.435 1.220 20 0 EDADLP CSCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736659601 579010513 /nfs/dbraw/zinc/01/05/13/579010513.db2.gz RNSOZQZHSFZPTD-KBPBESRZSA-N 2 2 328.526 1.596 20 0 EDADLP CSCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736659601 579010514 /nfs/dbraw/zinc/01/05/14/579010514.db2.gz RNSOZQZHSFZPTD-KBPBESRZSA-N 2 2 328.526 1.596 20 0 EDADLP CCCCC[C@H](O)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746252723 579582076 /nfs/dbraw/zinc/58/20/76/579582076.db2.gz GTSQUJPAVWAVKA-ROUUACIJSA-N 2 2 339.524 1.945 20 0 EDADLP CCCCC[C@H](O)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746252723 579582077 /nfs/dbraw/zinc/58/20/77/579582077.db2.gz GTSQUJPAVWAVKA-ROUUACIJSA-N 2 2 339.524 1.945 20 0 EDADLP O=C(c1ccc(O)cc1)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000747669466 579653001 /nfs/dbraw/zinc/65/30/01/579653001.db2.gz LTXYKQGPXAPAIE-SFHVURJKSA-N 2 2 332.444 1.744 20 0 EDADLP CCN(CC)C(=O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000752634725 579862712 /nfs/dbraw/zinc/86/27/12/579862712.db2.gz GAQCULHRFJDEHV-UHFFFAOYSA-N 2 2 325.376 1.491 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](CCC(=O)NC3CCCC3)CC2)S1 ZINC000754657232 579908784 /nfs/dbraw/zinc/90/87/84/579908784.db2.gz HQCIDPAZWZCJQT-UHFFFAOYSA-N 2 2 338.521 1.934 20 0 EDADLP C[NH+](C)CC1CC[NH+](Cn2nc(CO)n(C3CC3)c2=S)CC1 ZINC000758328110 579979881 /nfs/dbraw/zinc/97/98/81/579979881.db2.gz XOVVLGBDQZYHTI-UHFFFAOYSA-N 2 2 325.482 1.472 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@@](C)(COC)CC1=O ZINC000762076320 580066482 /nfs/dbraw/zinc/06/64/82/580066482.db2.gz MXPIGCWYLSPMGW-SFHVURJKSA-N 2 2 336.480 2.000 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@@](C)(COC)CC1=O ZINC000762076320 580066483 /nfs/dbraw/zinc/06/64/83/580066483.db2.gz MXPIGCWYLSPMGW-SFHVURJKSA-N 2 2 336.480 2.000 20 0 EDADLP Cc1[nH+]ccn1CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000771951315 580299292 /nfs/dbraw/zinc/29/92/92/580299292.db2.gz ONEJSXLFOZJQOE-GOSISDBHSA-N 2 2 343.427 1.933 20 0 EDADLP C[C@@H]1CCOCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000775570442 580393909 /nfs/dbraw/zinc/39/39/09/580393909.db2.gz MQBHOBCTLHCSLG-QGZVFWFLSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@@H]1CCOCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000775570442 580393910 /nfs/dbraw/zinc/39/39/10/580393910.db2.gz MQBHOBCTLHCSLG-QGZVFWFLSA-N 2 2 331.460 1.442 20 0 EDADLP CN1CCc2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)ccc21 ZINC000778802180 580472477 /nfs/dbraw/zinc/47/24/77/580472477.db2.gz CNXIOHUUAVGROP-QGZVFWFLSA-N 2 2 342.487 1.577 20 0 EDADLP CN1CCc2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)ccc21 ZINC000778802180 580472478 /nfs/dbraw/zinc/47/24/78/580472478.db2.gz CNXIOHUUAVGROP-QGZVFWFLSA-N 2 2 342.487 1.577 20 0 EDADLP Cc1nnc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000779644998 580492412 /nfs/dbraw/zinc/49/24/12/580492412.db2.gz FDWQFZQHIJLWDC-CQSZACIVSA-N 2 2 347.444 1.746 20 0 EDADLP Cc1nnc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000779644998 580492413 /nfs/dbraw/zinc/49/24/13/580492413.db2.gz FDWQFZQHIJLWDC-CQSZACIVSA-N 2 2 347.444 1.746 20 0 EDADLP Cc1cc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1C ZINC000779646810 580492540 /nfs/dbraw/zinc/49/25/40/580492540.db2.gz VVILAOVXKJZVBV-KRWDZBQOSA-N 2 2 343.431 1.628 20 0 EDADLP Cc1cc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1C ZINC000779646810 580492541 /nfs/dbraw/zinc/49/25/41/580492541.db2.gz VVILAOVXKJZVBV-KRWDZBQOSA-N 2 2 343.431 1.628 20 0 EDADLP OC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000782090845 580566077 /nfs/dbraw/zinc/56/60/77/580566077.db2.gz MAJADPNUPQIKPI-HUUCEWRRSA-N 2 2 332.366 1.785 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+]2CCC([C@H]3CCCO3)CC2)C1 ZINC000783964695 580609233 /nfs/dbraw/zinc/60/92/33/580609233.db2.gz OWWXKLKCRSYCON-DOTOQJQBSA-N 2 2 332.448 1.585 20 0 EDADLP CC(C)[N@H+](C)CC1CC[NH+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783983242 580610144 /nfs/dbraw/zinc/61/01/44/580610144.db2.gz HAZOPFRREBRVIR-KRWDZBQOSA-N 3 2 347.507 1.746 20 0 EDADLP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783983242 580610145 /nfs/dbraw/zinc/61/01/45/580610145.db2.gz HAZOPFRREBRVIR-KRWDZBQOSA-N 3 2 347.507 1.746 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000783993279 580610867 /nfs/dbraw/zinc/61/08/67/580610867.db2.gz FZVSDDBNWSVQJP-OWCLPIDISA-N 2 2 331.464 1.110 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000783993279 580610868 /nfs/dbraw/zinc/61/08/68/580610868.db2.gz FZVSDDBNWSVQJP-OWCLPIDISA-N 2 2 331.464 1.110 20 0 EDADLP COCC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@@H]1CC[C@@H](C)C1 ZINC000790481051 580771547 /nfs/dbraw/zinc/77/15/47/580771547.db2.gz WENFQIVBPDWPIU-BZUAXINKSA-N 2 2 334.464 1.831 20 0 EDADLP COCC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@@H]1CC[C@@H](C)C1 ZINC000790481051 580771548 /nfs/dbraw/zinc/77/15/48/580771548.db2.gz WENFQIVBPDWPIU-BZUAXINKSA-N 2 2 334.464 1.831 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[NH+]1CCCCC1 ZINC000793719393 580853524 /nfs/dbraw/zinc/85/35/24/580853524.db2.gz DQLPUENKMLCTJY-GJZGRUSLSA-N 2 2 347.463 1.454 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000794399372 580890562 /nfs/dbraw/zinc/89/05/62/580890562.db2.gz QMTZBIZYYTWCAN-PMPSAXMXSA-N 2 2 341.496 1.821 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000794399372 580890563 /nfs/dbraw/zinc/89/05/63/580890563.db2.gz QMTZBIZYYTWCAN-PMPSAXMXSA-N 2 2 341.496 1.821 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000794399372 580890564 /nfs/dbraw/zinc/89/05/64/580890564.db2.gz QMTZBIZYYTWCAN-PMPSAXMXSA-N 2 2 341.496 1.821 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000794399372 580890565 /nfs/dbraw/zinc/89/05/65/580890565.db2.gz QMTZBIZYYTWCAN-PMPSAXMXSA-N 2 2 341.496 1.821 20 0 EDADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OC[C@H]1CCCO1 ZINC000794519424 580895926 /nfs/dbraw/zinc/89/59/26/580895926.db2.gz FPLSWLHZEIDFRY-GOSISDBHSA-N 2 2 346.475 1.872 20 0 EDADLP NC(CC[NH+]1CCN(Cc2ccccc2)CC1)=[NH+]OC[C@H]1CCCO1 ZINC000794519424 580895927 /nfs/dbraw/zinc/89/59/27/580895927.db2.gz FPLSWLHZEIDFRY-GOSISDBHSA-N 2 2 346.475 1.872 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCS(=O)(=O)NC(C)(C)C)s1 ZINC000796275568 580949813 /nfs/dbraw/zinc/94/98/13/580949813.db2.gz CETVOCBKGJEYIJ-UHFFFAOYSA-N 2 2 334.511 1.012 20 0 EDADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000796356066 580951932 /nfs/dbraw/zinc/95/19/32/580951932.db2.gz LBNJZDGSYWIHQA-INIZCTEOSA-N 2 2 335.839 1.385 20 0 EDADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000796356066 580951933 /nfs/dbraw/zinc/95/19/33/580951933.db2.gz LBNJZDGSYWIHQA-INIZCTEOSA-N 2 2 335.839 1.385 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)OCC(=O)N2 ZINC000796743424 580960998 /nfs/dbraw/zinc/96/09/98/580960998.db2.gz IPOCTNQAPIYYEA-CFVMTHIKSA-N 2 2 331.416 1.531 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)OCC(=O)N2 ZINC000796743424 580960999 /nfs/dbraw/zinc/96/09/99/580960999.db2.gz IPOCTNQAPIYYEA-CFVMTHIKSA-N 2 2 331.416 1.531 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000799311131 581025049 /nfs/dbraw/zinc/02/50/49/581025049.db2.gz NMZCVXTYRUCNPN-OLMNPRSZSA-N 2 2 336.455 1.212 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000799311131 581025050 /nfs/dbraw/zinc/02/50/50/581025050.db2.gz NMZCVXTYRUCNPN-OLMNPRSZSA-N 2 2 336.455 1.212 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c[nH+]1 ZINC000891829647 590640962 /nfs/dbraw/zinc/64/09/62/590640962.db2.gz OUAKMNJARAQLMD-HOTGVXAUSA-N 2 2 331.464 1.773 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c[nH+]1 ZINC000891829647 590640967 /nfs/dbraw/zinc/64/09/67/590640967.db2.gz OUAKMNJARAQLMD-HOTGVXAUSA-N 2 2 331.464 1.773 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891915356 590686131 /nfs/dbraw/zinc/68/61/31/590686131.db2.gz GWFYVQACTUXNDS-MWLCHTKSSA-N 2 2 332.326 1.369 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c2[nH+]ccn21 ZINC000891940935 590697522 /nfs/dbraw/zinc/69/75/22/590697522.db2.gz UGSBKMYNMOXIGJ-DAXOMENPSA-N 2 2 325.416 1.903 20 0 EDADLP C[N@@H+]1CC[C@](O)(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)C1 ZINC000893186902 590701774 /nfs/dbraw/zinc/70/17/74/590701774.db2.gz IDGXWQZLUYHXIU-KRWDZBQOSA-N 2 2 342.378 1.433 20 0 EDADLP C[N@H+]1CC[C@](O)(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)C1 ZINC000893186902 590701777 /nfs/dbraw/zinc/70/17/77/590701777.db2.gz IDGXWQZLUYHXIU-KRWDZBQOSA-N 2 2 342.378 1.433 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892168278 590839126 /nfs/dbraw/zinc/83/91/26/590839126.db2.gz CRJSLXFXLXOUDN-DZGCQCFKSA-N 2 2 349.504 1.561 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C[NH2+]1 ZINC000892292332 590919113 /nfs/dbraw/zinc/91/91/13/590919113.db2.gz PAQNWPTXQVYABT-UKRRQHHQSA-N 2 2 349.504 1.575 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892446056 591030724 /nfs/dbraw/zinc/03/07/24/591030724.db2.gz FNUNSJWUCJSXCD-WKILWMFISA-N 3 2 339.528 1.171 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892446056 591030728 /nfs/dbraw/zinc/03/07/28/591030728.db2.gz FNUNSJWUCJSXCD-WKILWMFISA-N 3 2 339.528 1.171 20 0 EDADLP COc1ccc2[nH+]cc(Cl)c(NC[C@@H]3C[N@H+](C)CCN3C)c2c1 ZINC000892467425 591038018 /nfs/dbraw/zinc/03/80/18/591038018.db2.gz ICKBSBJVBQPPPN-GFCCVEGCSA-N 2 2 334.851 1.976 20 0 EDADLP COc1ccc2[nH+]cc(Cl)c(NC[C@@H]3C[N@@H+](C)CCN3C)c2c1 ZINC000892467425 591038021 /nfs/dbraw/zinc/03/80/21/591038021.db2.gz ICKBSBJVBQPPPN-GFCCVEGCSA-N 2 2 334.851 1.976 20 0 EDADLP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000892475110 591040524 /nfs/dbraw/zinc/04/05/24/591040524.db2.gz UXLPVMDSTNWADY-UHFFFAOYSA-N 2 2 334.489 1.941 20 0 EDADLP CC1(C)C[NH2+]CC[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000891344828 591051584 /nfs/dbraw/zinc/05/15/84/591051584.db2.gz OBYHBPRGFDXOKV-HNNXBMFYSA-N 2 2 342.447 1.845 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000891349889 591054840 /nfs/dbraw/zinc/05/48/40/591054840.db2.gz LJCKQGBPUDLAML-PBHICJAKSA-N 2 2 326.485 1.114 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000891359558 591059090 /nfs/dbraw/zinc/05/90/90/591059090.db2.gz XGQHRGDBLBWSPP-DJIMGWMZSA-N 2 2 332.448 1.096 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000892608722 591092797 /nfs/dbraw/zinc/09/27/97/591092797.db2.gz HKMPXNKTXBEENM-PKOBYXMFSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000892608722 591092803 /nfs/dbraw/zinc/09/28/03/591092803.db2.gz HKMPXNKTXBEENM-PKOBYXMFSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)C3CC([NH3+])C3)C2)cc1 ZINC000892611997 591095571 /nfs/dbraw/zinc/09/55/71/591095571.db2.gz RWZRGLVGRXBSIM-DAWZGUTISA-N 2 2 346.475 1.327 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)C3CC([NH3+])C3)C2)cc1 ZINC000892611997 591095575 /nfs/dbraw/zinc/09/55/75/591095575.db2.gz RWZRGLVGRXBSIM-DAWZGUTISA-N 2 2 346.475 1.327 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+](C)CC1 ZINC000893857451 591118034 /nfs/dbraw/zinc/11/80/34/591118034.db2.gz NZWBLUVDICKELF-GOSISDBHSA-N 2 2 345.491 1.062 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+](C)CC1 ZINC000893857451 591118037 /nfs/dbraw/zinc/11/80/37/591118037.db2.gz NZWBLUVDICKELF-GOSISDBHSA-N 2 2 345.491 1.062 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+](C)CC1 ZINC000893857451 591118040 /nfs/dbraw/zinc/11/80/40/591118040.db2.gz NZWBLUVDICKELF-GOSISDBHSA-N 2 2 345.491 1.062 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+](C)CC1 ZINC000893857451 591118043 /nfs/dbraw/zinc/11/80/43/591118043.db2.gz NZWBLUVDICKELF-GOSISDBHSA-N 2 2 345.491 1.062 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000891561133 591125928 /nfs/dbraw/zinc/12/59/28/591125928.db2.gz URVPGOSCMWQUBG-HZPDHXFCSA-N 3 2 337.512 1.068 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000891561133 591125930 /nfs/dbraw/zinc/12/59/30/591125930.db2.gz URVPGOSCMWQUBG-HZPDHXFCSA-N 3 2 337.512 1.068 20 0 EDADLP CN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1(C[NH3+])CCCCC1 ZINC000891710215 591195207 /nfs/dbraw/zinc/19/52/07/591195207.db2.gz XTZRUHXWOUECOM-HNNXBMFYSA-N 2 2 331.464 1.963 20 0 EDADLP C[C@@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000892838229 591200396 /nfs/dbraw/zinc/20/03/96/591200396.db2.gz MLMLVHRPEUAREJ-CABCVRRESA-N 2 2 338.496 1.412 20 0 EDADLP Cc1ccnc(N)c1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000894169595 591215768 /nfs/dbraw/zinc/21/57/68/591215768.db2.gz GAJSJLTVJAYLRV-UHFFFAOYSA-N 2 2 341.463 1.064 20 0 EDADLP Cc1cc[nH+]c(N2CCN(c3nc(N)[nH+]c(C(C)(C)C)n3)CC2)c1 ZINC000892944234 591234002 /nfs/dbraw/zinc/23/40/02/591234002.db2.gz HZYFGHABFLXONG-UHFFFAOYSA-N 2 2 327.436 1.781 20 0 EDADLP CC[C@@H](COC)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893024208 591259007 /nfs/dbraw/zinc/25/90/07/591259007.db2.gz SKUFXYSZUBONBB-AWEZNQCLSA-N 2 2 329.485 1.990 20 0 EDADLP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000895772725 591270592 /nfs/dbraw/zinc/27/05/92/591270592.db2.gz JSLIRCYUARIIHN-MRXNPFEDSA-N 2 2 344.390 1.396 20 0 EDADLP Cc1cc(Br)cc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)[nH+]1 ZINC000894354687 591288126 /nfs/dbraw/zinc/28/81/26/591288126.db2.gz XLLHDVFOHVAPFX-LLVKDONJSA-N 2 2 341.253 1.709 20 0 EDADLP CO[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000895995568 591321684 /nfs/dbraw/zinc/32/16/84/591321684.db2.gz JNNLVNKLYCDUTL-KOMQPUFPSA-N 2 2 341.496 1.990 20 0 EDADLP c1cn(C2CC2)c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000896030107 591327389 /nfs/dbraw/zinc/32/73/89/591327389.db2.gz IITOYLPIONXKEX-MRXNPFEDSA-N 2 2 333.480 1.104 20 0 EDADLP CN(CCC[N@H+](C)Cc1nc(Br)c[nH]1)CC[NH+](C)C ZINC000894524188 591332606 /nfs/dbraw/zinc/33/26/06/591332606.db2.gz UUDFLRMRLSUGFM-UHFFFAOYSA-N 2 2 332.290 1.488 20 0 EDADLP CN(CCC[N@@H+](C)Cc1nc(Br)c[nH]1)CC[NH+](C)C ZINC000894524188 591332608 /nfs/dbraw/zinc/33/26/08/591332608.db2.gz UUDFLRMRLSUGFM-UHFFFAOYSA-N 2 2 332.290 1.488 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC2(C1)COC(C)(C)C2 ZINC000898405797 591343545 /nfs/dbraw/zinc/34/35/45/591343545.db2.gz KHMGSKFRPRPNFA-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC2(C1)COC(C)(C)C2 ZINC000898405797 591343550 /nfs/dbraw/zinc/34/35/50/591343550.db2.gz KHMGSKFRPRPNFA-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H](C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)OC ZINC000894553331 591344577 /nfs/dbraw/zinc/34/45/77/591344577.db2.gz SLXSAJVOOLIJMM-OAHLLOKOSA-N 2 2 329.485 1.990 20 0 EDADLP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437394 591352137 /nfs/dbraw/zinc/35/21/37/591352137.db2.gz UZSLSADJSFWOHC-ZJOBFFGXSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437394 591352142 /nfs/dbraw/zinc/35/21/42/591352142.db2.gz UZSLSADJSFWOHC-ZJOBFFGXSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437394 591352147 /nfs/dbraw/zinc/35/21/47/591352147.db2.gz UZSLSADJSFWOHC-ZJOBFFGXSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437394 591352152 /nfs/dbraw/zinc/35/21/52/591352152.db2.gz UZSLSADJSFWOHC-ZJOBFFGXSA-N 2 2 349.479 1.404 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)nc[nH+]1 ZINC000894646746 591377833 /nfs/dbraw/zinc/37/78/33/591377833.db2.gz ZGVLCOCZAIFPOD-GJZGRUSLSA-N 2 2 337.468 1.206 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)[nH+]cn1 ZINC000894646746 591377835 /nfs/dbraw/zinc/37/78/35/591377835.db2.gz ZGVLCOCZAIFPOD-GJZGRUSLSA-N 2 2 337.468 1.206 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000897428072 591407684 /nfs/dbraw/zinc/40/76/84/591407684.db2.gz CROZBXWIPKQLOM-OAHLLOKOSA-N 2 2 336.505 1.917 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000897428072 591407688 /nfs/dbraw/zinc/40/76/88/591407688.db2.gz CROZBXWIPKQLOM-OAHLLOKOSA-N 2 2 336.505 1.917 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000898588435 591418389 /nfs/dbraw/zinc/41/83/89/591418389.db2.gz JDDBFZHEXRSHNK-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000898588435 591418394 /nfs/dbraw/zinc/41/83/94/591418394.db2.gz JDDBFZHEXRSHNK-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898588435 591418398 /nfs/dbraw/zinc/41/83/98/591418398.db2.gz JDDBFZHEXRSHNK-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)s1 ZINC000896395150 591448835 /nfs/dbraw/zinc/44/88/35/591448835.db2.gz REFYKVOQUJPGNV-MLGOLLRUSA-N 2 2 338.477 1.915 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)s1 ZINC000896395150 591448838 /nfs/dbraw/zinc/44/88/38/591448838.db2.gz REFYKVOQUJPGNV-MLGOLLRUSA-N 2 2 338.477 1.915 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000898743656 591496678 /nfs/dbraw/zinc/49/66/78/591496678.db2.gz QHPCOITVNGLCGI-AWEZNQCLSA-N 2 2 337.374 1.649 20 0 EDADLP COc1cc(NC(=O)C[NH2+]Cc2c(C)cc[nH+]c2N)cc(OC)c1 ZINC000895046227 591540094 /nfs/dbraw/zinc/54/00/94/591540094.db2.gz AFUXDGRDIGEOKX-UHFFFAOYSA-N 2 2 330.388 1.718 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)C1(F)F ZINC000896724160 591588020 /nfs/dbraw/zinc/58/80/20/591588020.db2.gz VGJOBTUOXWBVAZ-MCIONIFRSA-N 2 2 327.375 1.718 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c2[nH+]ccn21 ZINC000895210465 591658674 /nfs/dbraw/zinc/65/86/74/591658674.db2.gz OPRDYTSBHGDJPS-CBBWQLFWSA-N 2 2 333.436 1.130 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c2[nH+]ccn21 ZINC000895210465 591658678 /nfs/dbraw/zinc/65/86/78/591658678.db2.gz OPRDYTSBHGDJPS-CBBWQLFWSA-N 2 2 333.436 1.130 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c2[nH+]ccn21 ZINC000895210464 591658805 /nfs/dbraw/zinc/65/88/05/591658805.db2.gz OPRDYTSBHGDJPS-BARDWOONSA-N 2 2 333.436 1.130 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c2[nH+]ccn21 ZINC000895210464 591658809 /nfs/dbraw/zinc/65/88/09/591658809.db2.gz OPRDYTSBHGDJPS-BARDWOONSA-N 2 2 333.436 1.130 20 0 EDADLP Cc1[nH]c(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)[nH+]c1C ZINC000896922447 591682446 /nfs/dbraw/zinc/68/24/46/591682446.db2.gz QUAVZHDZMBFDLE-UHFFFAOYSA-N 2 2 341.459 1.461 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)c1ccn2cc(C)[nH+]c2c1)C(C)C ZINC000897876027 591702487 /nfs/dbraw/zinc/70/24/87/591702487.db2.gz JTZCQXXAULXIFT-INIZCTEOSA-N 2 2 346.431 1.550 20 0 EDADLP Brc1cnc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000895407578 591746442 /nfs/dbraw/zinc/74/64/42/591746442.db2.gz VAVBGYDMEVRIJT-ZDUSSCGKSA-N 2 2 341.253 1.582 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000897217588 591772615 /nfs/dbraw/zinc/77/26/15/591772615.db2.gz FRFBJEVHGHDPSX-SWLSCSKDSA-N 2 2 328.420 1.540 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000897217588 591772616 /nfs/dbraw/zinc/77/26/16/591772616.db2.gz FRFBJEVHGHDPSX-SWLSCSKDSA-N 2 2 328.420 1.540 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)cn21 ZINC000895533382 591791611 /nfs/dbraw/zinc/79/16/11/591791611.db2.gz HUBCHCDLAUMZOE-HOCLYGCPSA-N 2 2 327.432 1.531 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1C ZINC000895558279 591801377 /nfs/dbraw/zinc/80/13/77/591801377.db2.gz UYMKISWQKPGKQC-AWEZNQCLSA-N 2 2 328.416 1.917 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=S)NCCC[NH+]1CCOCC1 ZINC000899704919 591911131 /nfs/dbraw/zinc/91/11/31/591911131.db2.gz WPDCIKYFDFVYAK-UHFFFAOYSA-N 2 2 347.488 1.329 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+]1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)C2=O ZINC000902182683 591933949 /nfs/dbraw/zinc/93/39/49/591933949.db2.gz LVNAFHQZHJKQIR-YRBFXIGRSA-N 2 2 330.432 1.755 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+]1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)C2=O ZINC000902182683 591933951 /nfs/dbraw/zinc/93/39/51/591933951.db2.gz LVNAFHQZHJKQIR-YRBFXIGRSA-N 2 2 330.432 1.755 20 0 EDADLP C/C(=C/C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900198223 591938543 /nfs/dbraw/zinc/93/85/43/591938543.db2.gz UVIHBAFNHIDPEB-ZUTYSQTGSA-N 2 2 337.508 1.892 20 0 EDADLP COc1cc(C(N)=[NH+]OCCCc2c[nH+]cn2C)cc(OC)c1OC ZINC000902298775 591970018 /nfs/dbraw/zinc/97/00/18/591970018.db2.gz YPXMPGJFKXUEDG-UHFFFAOYSA-N 2 2 348.403 1.925 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c(CO)[nH]cc(OC)c1=O ZINC000902334127 591980508 /nfs/dbraw/zinc/98/05/08/591980508.db2.gz RARPZRMFDFVYQC-CYBMUJFWSA-N 2 2 346.431 1.299 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c(CO)[nH]cc(OC)c1=O ZINC000902334127 591980510 /nfs/dbraw/zinc/98/05/10/591980510.db2.gz RARPZRMFDFVYQC-CYBMUJFWSA-N 2 2 346.431 1.299 20 0 EDADLP C/C(=C/C(=O)NCC[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900337065 591988124 /nfs/dbraw/zinc/98/81/24/591988124.db2.gz ADUHWMLYPLYSNG-VKAVYKQESA-N 2 2 331.460 1.513 20 0 EDADLP C/C(=C/C(=O)NCC[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900337065 591988126 /nfs/dbraw/zinc/98/81/26/591988126.db2.gz ADUHWMLYPLYSNG-VKAVYKQESA-N 2 2 331.460 1.513 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC[C@]34CCC[C@H]3[NH2+]CC4)[nH+]cn2)C1 ZINC000900358418 591994105 /nfs/dbraw/zinc/99/41/05/591994105.db2.gz ULPMEZIFUQVLSM-ATNYBXOESA-N 2 2 331.464 1.628 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC[C@]34CCC[C@H]3[NH2+]CC4)nc[nH+]2)C1 ZINC000900358418 591994106 /nfs/dbraw/zinc/99/41/06/591994106.db2.gz ULPMEZIFUQVLSM-ATNYBXOESA-N 2 2 331.464 1.628 20 0 EDADLP Clc1cccc(COc2cncc(N3CC[NH2+]CC[NH2+]CC3)n2)c1 ZINC000900369631 591998693 /nfs/dbraw/zinc/99/86/93/591998693.db2.gz VOMZFUAUYMSMGQ-UHFFFAOYSA-N 2 2 347.850 1.708 20 0 EDADLP Cn1nc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1C(F)(F)F ZINC000902458521 591999807 /nfs/dbraw/zinc/99/98/07/591999807.db2.gz YQCVPAGDAJZNFM-YNEHKIRRSA-N 2 2 332.370 1.686 20 0 EDADLP Cn1nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1C(F)(F)F ZINC000902458966 591999896 /nfs/dbraw/zinc/99/98/96/591999896.db2.gz ZPMCIKVIDZXYGB-JHJVBQTASA-N 2 2 332.370 1.686 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)C1 ZINC000902649348 592038920 /nfs/dbraw/zinc/03/89/20/592038920.db2.gz JQLOVSCMPGAGQF-KBPBESRZSA-N 2 2 345.472 1.715 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](Cc3nccs3)C2)C1 ZINC000902649348 592038921 /nfs/dbraw/zinc/03/89/21/592038921.db2.gz JQLOVSCMPGAGQF-KBPBESRZSA-N 2 2 345.472 1.715 20 0 EDADLP C/C(=C/C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000900539652 592051285 /nfs/dbraw/zinc/05/12/85/592051285.db2.gz DRPVQMOUPVHYBL-DNKLCNGGSA-N 2 2 335.492 1.742 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900600096 592065276 /nfs/dbraw/zinc/06/52/76/592065276.db2.gz WITJWLPRWLDLHM-HOTGVXAUSA-N 2 2 331.464 1.081 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900600096 592065279 /nfs/dbraw/zinc/06/52/79/592065279.db2.gz WITJWLPRWLDLHM-HOTGVXAUSA-N 2 2 331.464 1.081 20 0 EDADLP C/C(=C/C(=O)N1CCC(C[NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900686807 592094621 /nfs/dbraw/zinc/09/46/21/592094621.db2.gz MVAOBHFSFAAGPD-VKAVYKQESA-N 2 2 335.492 1.599 20 0 EDADLP O=C(CN1CCC[C@H](F)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000902999995 592098396 /nfs/dbraw/zinc/09/83/96/592098396.db2.gz CAWQATBVIVNZBT-SFHVURJKSA-N 2 2 349.450 1.569 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](F)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000902999995 592098397 /nfs/dbraw/zinc/09/83/97/592098397.db2.gz CAWQATBVIVNZBT-SFHVURJKSA-N 2 2 349.450 1.569 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](F)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000902999995 592098399 /nfs/dbraw/zinc/09/83/99/592098399.db2.gz CAWQATBVIVNZBT-SFHVURJKSA-N 2 2 349.450 1.569 20 0 EDADLP CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000903089049 592118442 /nfs/dbraw/zinc/11/84/42/592118442.db2.gz PPIRHQJVJQSSSW-IPMKNSEASA-N 2 2 339.524 1.720 20 0 EDADLP OCCOC1(C[NH2+][C@H]2C[N@@H+]3C[C@@H]2CCC3)CCC(C(F)F)CC1 ZINC000903265338 592147714 /nfs/dbraw/zinc/14/77/14/592147714.db2.gz WMQWEKQLGVFQLW-GWUWNPHMSA-N 2 2 332.435 1.873 20 0 EDADLP OCCOC1(C[NH2+][C@H]2C[N@H+]3C[C@@H]2CCC3)CCC(C(F)F)CC1 ZINC000903265338 592147715 /nfs/dbraw/zinc/14/77/15/592147715.db2.gz WMQWEKQLGVFQLW-GWUWNPHMSA-N 2 2 332.435 1.873 20 0 EDADLP C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883304 592156153 /nfs/dbraw/zinc/15/61/53/592156153.db2.gz QQTHFDVUTAJSJK-BEFAXECRSA-N 2 2 342.443 1.896 20 0 EDADLP C[C@@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883304 592156157 /nfs/dbraw/zinc/15/61/57/592156157.db2.gz QQTHFDVUTAJSJK-BEFAXECRSA-N 2 2 342.443 1.896 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000903428078 592167710 /nfs/dbraw/zinc/16/77/10/592167710.db2.gz CUEJFJYGRPTRLH-NVXWUHKLSA-N 2 2 342.443 1.592 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000903428078 592167711 /nfs/dbraw/zinc/16/77/11/592167711.db2.gz CUEJFJYGRPTRLH-NVXWUHKLSA-N 2 2 342.443 1.592 20 0 EDADLP CCO[C@@H](C)c1noc(CN2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC000903446071 592173022 /nfs/dbraw/zinc/17/30/22/592173022.db2.gz SIMIYSOAWZNXRQ-ILXRZTDVSA-N 2 2 337.468 1.140 20 0 EDADLP O=S(=O)(NC1CC1)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903484030 592177493 /nfs/dbraw/zinc/17/74/93/592177493.db2.gz OEKBYACQLCPDDH-KRWDZBQOSA-N 2 2 349.500 1.892 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)NC(=O)NCc1cccs1 ZINC000903485309 592178216 /nfs/dbraw/zinc/17/82/16/592178216.db2.gz LZSXZAQIXOQHEA-CYBMUJFWSA-N 2 2 336.461 1.338 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903485785 592178491 /nfs/dbraw/zinc/17/84/91/592178491.db2.gz QTCZYFXTSMQJGV-KRWDZBQOSA-N 2 2 331.460 1.754 20 0 EDADLP Cc1ccc2cc(S(=O)(=O)NCC[NH+]3CCC([NH3+])CC3)ccc2c1 ZINC000903565786 592212587 /nfs/dbraw/zinc/21/25/87/592212587.db2.gz QGOAEPGQLBVBQY-UHFFFAOYSA-N 2 2 347.484 1.850 20 0 EDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904326939 592231431 /nfs/dbraw/zinc/23/14/31/592231431.db2.gz UAZAZYAQWPYBAV-IAGOWNOFSA-N 2 2 338.540 1.769 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904462228 592258519 /nfs/dbraw/zinc/25/85/19/592258519.db2.gz SJCBXLUUZQPVSX-YLJYHZDGSA-N 2 2 339.439 1.868 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3cc(Cl)cc4c3OCC4)C[C@H]2[NH3+])c1 ZINC000904492294 592266035 /nfs/dbraw/zinc/26/60/35/592266035.db2.gz VZNZNYXKVCTCHG-HUUCEWRRSA-N 2 2 332.835 1.935 20 0 EDADLP C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719438 592281981 /nfs/dbraw/zinc/28/19/81/592281981.db2.gz ZQASYGMNZSZPLC-FZKQIMNGSA-N 2 2 328.416 1.536 20 0 EDADLP C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719438 592281985 /nfs/dbraw/zinc/28/19/85/592281985.db2.gz ZQASYGMNZSZPLC-FZKQIMNGSA-N 2 2 328.416 1.536 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]3C[C@@H]4OCC[C@@H]4[NH2+]3)n2)cn1 ZINC000904589767 592287753 /nfs/dbraw/zinc/28/77/53/592287753.db2.gz NXWFLOSKUVZEJQ-IHRRRGAJSA-N 2 2 338.371 1.818 20 0 EDADLP Cn1c[nH+]cc1Cc1noc(COc2ccc(CCC[NH3+])cc2)n1 ZINC000904646068 592303341 /nfs/dbraw/zinc/30/33/41/592303341.db2.gz HBFKSPFABVPPAR-UHFFFAOYSA-N 2 2 327.388 1.864 20 0 EDADLP COc1ccccc1[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903777734 592319194 /nfs/dbraw/zinc/31/91/94/592319194.db2.gz DCAJXRQJOYQQQJ-ZYSHUDEJSA-N 2 2 332.444 1.837 20 0 EDADLP COc1ccccc1[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903777734 592319199 /nfs/dbraw/zinc/31/91/99/592319199.db2.gz DCAJXRQJOYQQQJ-ZYSHUDEJSA-N 2 2 332.444 1.837 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CN(C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1[NH3+] ZINC000903781703 592321604 /nfs/dbraw/zinc/32/16/04/592321604.db2.gz UYCBDNUPCNBXBY-SFTQSGBHSA-N 2 2 332.370 1.647 20 0 EDADLP O=S(=O)(CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903785373 592322058 /nfs/dbraw/zinc/32/20/58/592322058.db2.gz YVKHXJDDEFGJAR-QGZVFWFLSA-N 2 2 337.489 1.894 20 0 EDADLP O=S(=O)(CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903785373 592322061 /nfs/dbraw/zinc/32/20/61/592322061.db2.gz YVKHXJDDEFGJAR-QGZVFWFLSA-N 2 2 337.489 1.894 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)c2ncccc12 ZINC000903786993 592323354 /nfs/dbraw/zinc/32/33/54/592323354.db2.gz SPSNFTAFHGEIRR-SFHVURJKSA-N 2 2 329.400 1.307 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@]([NH3+])(CO)C2)c2ncccc12 ZINC000903786993 592323358 /nfs/dbraw/zinc/32/33/58/592323358.db2.gz SPSNFTAFHGEIRR-SFHVURJKSA-N 2 2 329.400 1.307 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000903824925 592334046 /nfs/dbraw/zinc/33/40/46/592334046.db2.gz VDEMMUYRISRYMQ-RDGPPVDQSA-N 2 2 334.460 1.187 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000903824925 592334052 /nfs/dbraw/zinc/33/40/52/592334052.db2.gz VDEMMUYRISRYMQ-RDGPPVDQSA-N 2 2 334.460 1.187 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903861930 592349163 /nfs/dbraw/zinc/34/91/63/592349163.db2.gz ZMWDIJCQDRAGGM-KYJSFNMBSA-N 2 2 333.432 1.198 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903861930 592349167 /nfs/dbraw/zinc/34/91/67/592349167.db2.gz ZMWDIJCQDRAGGM-KYJSFNMBSA-N 2 2 333.432 1.198 20 0 EDADLP CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903890851 592352912 /nfs/dbraw/zinc/35/29/12/592352912.db2.gz GUHBOTFVUZYGRJ-CABCVRRESA-N 2 2 348.495 1.329 20 0 EDADLP CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903890851 592352914 /nfs/dbraw/zinc/35/29/14/592352914.db2.gz GUHBOTFVUZYGRJ-CABCVRRESA-N 2 2 348.495 1.329 20 0 EDADLP CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903890854 592352961 /nfs/dbraw/zinc/35/29/61/592352961.db2.gz GUHBOTFVUZYGRJ-LSDHHAIUSA-N 2 2 348.495 1.329 20 0 EDADLP CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903890854 592352965 /nfs/dbraw/zinc/35/29/65/592352965.db2.gz GUHBOTFVUZYGRJ-LSDHHAIUSA-N 2 2 348.495 1.329 20 0 EDADLP Cc1cc[nH+]c(N2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903886665 592364634 /nfs/dbraw/zinc/36/46/34/592364634.db2.gz SYUJYUFIXTZLAZ-MRXNPFEDSA-N 2 2 341.463 1.228 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1C ZINC000903898742 592368951 /nfs/dbraw/zinc/36/89/51/592368951.db2.gz OKKGYCGJVPAKGF-KYJSFNMBSA-N 3 2 330.480 1.626 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1C ZINC000903898742 592368956 /nfs/dbraw/zinc/36/89/56/592368956.db2.gz OKKGYCGJVPAKGF-KYJSFNMBSA-N 3 2 330.480 1.626 20 0 EDADLP Cc1nc([C@H]2CCC[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903898368 592369243 /nfs/dbraw/zinc/36/92/43/592369243.db2.gz KHXPWSCGXDFICI-GJZGRUSLSA-N 2 2 331.468 1.152 20 0 EDADLP Cc1nc([C@H]2CCC[N@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903898368 592369246 /nfs/dbraw/zinc/36/92/46/592369246.db2.gz KHXPWSCGXDFICI-GJZGRUSLSA-N 2 2 331.468 1.152 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cnn1C ZINC000903898837 592369601 /nfs/dbraw/zinc/36/96/01/592369601.db2.gz QJWFLTRMXGVVIW-QZTJIDSGSA-N 3 2 333.524 1.654 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cnn1C ZINC000903898837 592369606 /nfs/dbraw/zinc/36/96/06/592369606.db2.gz QJWFLTRMXGVVIW-QZTJIDSGSA-N 3 2 333.524 1.654 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC[C@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922720 592378782 /nfs/dbraw/zinc/37/87/82/592378782.db2.gz COQSOOPHOKYNTF-KGLIPLIRSA-N 2 2 343.418 1.850 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC[C@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922720 592378787 /nfs/dbraw/zinc/37/87/87/592378787.db2.gz COQSOOPHOKYNTF-KGLIPLIRSA-N 2 2 343.418 1.850 20 0 EDADLP Nc1ccc2c(c1)C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CCO2 ZINC000903944461 592392419 /nfs/dbraw/zinc/39/24/19/592392419.db2.gz LAOXTKQIGLEELF-HNNXBMFYSA-N 2 2 328.420 1.179 20 0 EDADLP Nc1ccc2c(c1)C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CCO2 ZINC000903944461 592392423 /nfs/dbraw/zinc/39/24/23/592392423.db2.gz LAOXTKQIGLEELF-HNNXBMFYSA-N 2 2 328.420 1.179 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccc2cc[nH]c2c1 ZINC000905076559 592404559 /nfs/dbraw/zinc/40/45/59/592404559.db2.gz QGCONVZNWHATSP-JFIYKMOQSA-N 2 2 345.443 1.360 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccc2cc[nH]c2c1 ZINC000905076559 592404565 /nfs/dbraw/zinc/40/45/65/592404565.db2.gz QGCONVZNWHATSP-JFIYKMOQSA-N 2 2 345.443 1.360 20 0 EDADLP CC1(C)C[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@@H]1[NH3+] ZINC000903986915 592406379 /nfs/dbraw/zinc/40/63/79/592406379.db2.gz SUNXRXLPWNTMHG-KRWDZBQOSA-N 2 2 331.460 1.761 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C[C@@H]1[NH3+] ZINC000903986915 592406385 /nfs/dbraw/zinc/40/63/85/592406385.db2.gz SUNXRXLPWNTMHG-KRWDZBQOSA-N 2 2 331.460 1.761 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000905160319 592426467 /nfs/dbraw/zinc/42/64/67/592426467.db2.gz RLBMIJGYMYEQCD-LULLPPNCSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000905160319 592426471 /nfs/dbraw/zinc/42/64/71/592426471.db2.gz RLBMIJGYMYEQCD-LULLPPNCSA-N 2 2 334.460 1.141 20 0 EDADLP O=C(CNc1cccc[nH+]1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000908320549 592432041 /nfs/dbraw/zinc/43/20/41/592432041.db2.gz DPMMPZSRBRMMHQ-INIZCTEOSA-N 2 2 326.400 1.699 20 0 EDADLP O=C(CNc1cccc[nH+]1)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000908320549 592432043 /nfs/dbraw/zinc/43/20/43/592432043.db2.gz DPMMPZSRBRMMHQ-INIZCTEOSA-N 2 2 326.400 1.699 20 0 EDADLP CN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000908398061 592479948 /nfs/dbraw/zinc/47/99/48/592479948.db2.gz FCUSWNCNJUYKSH-IRXDYDNUSA-N 2 2 340.427 1.678 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410224 592524070 /nfs/dbraw/zinc/52/40/70/592524070.db2.gz UJUROCPEHKBSDJ-IAGOWNOFSA-N 2 2 326.481 1.276 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410224 592524073 /nfs/dbraw/zinc/52/40/73/592524073.db2.gz UJUROCPEHKBSDJ-IAGOWNOFSA-N 2 2 326.481 1.276 20 0 EDADLP Cc1cccc([C@H](O)C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000905447481 592528360 /nfs/dbraw/zinc/52/83/60/592528360.db2.gz RJBXOBGCXJBGJR-VQTJNVASSA-N 2 2 347.503 1.415 20 0 EDADLP C[N@H+](CCO)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000905490933 592552126 /nfs/dbraw/zinc/55/21/26/592552126.db2.gz URRPSULVQQRESI-LBPRGKRZSA-N 2 2 337.247 1.247 20 0 EDADLP C[N@@H+](CCO)CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000905490933 592552128 /nfs/dbraw/zinc/55/21/28/592552128.db2.gz URRPSULVQQRESI-LBPRGKRZSA-N 2 2 337.247 1.247 20 0 EDADLP COC(=O)CC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000905531868 592563884 /nfs/dbraw/zinc/56/38/84/592563884.db2.gz NPZNRUCPQWPIBD-QGZVFWFLSA-N 2 2 334.460 1.585 20 0 EDADLP COC(=O)CC(C)(C)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000905531868 592563886 /nfs/dbraw/zinc/56/38/86/592563886.db2.gz NPZNRUCPQWPIBD-QGZVFWFLSA-N 2 2 334.460 1.585 20 0 EDADLP CCO[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000905580285 592579558 /nfs/dbraw/zinc/57/95/58/592579558.db2.gz NDWDLSCWKWHAJA-OALUTQOASA-N 3 2 335.492 1.180 20 0 EDADLP CCO[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000905580285 592579561 /nfs/dbraw/zinc/57/95/61/592579561.db2.gz NDWDLSCWKWHAJA-OALUTQOASA-N 3 2 335.492 1.180 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCCC[C@@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000905682699 592611348 /nfs/dbraw/zinc/61/13/48/592611348.db2.gz NRMLPSWYOUXHKF-BXWFABGCSA-N 2 2 345.491 1.654 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCCC[C@@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000905682699 592611351 /nfs/dbraw/zinc/61/13/51/592611351.db2.gz NRMLPSWYOUXHKF-BXWFABGCSA-N 2 2 345.491 1.654 20 0 EDADLP COc1cc(F)cc(-c2noc(NCC[NH+]3CCC([NH3+])CC3)n2)c1 ZINC000905704701 592616776 /nfs/dbraw/zinc/61/67/76/592616776.db2.gz DZVUFMFWDCCZCU-UHFFFAOYSA-N 2 2 335.383 1.719 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)cc[nH+]1 ZINC000907375179 592616841 /nfs/dbraw/zinc/61/68/41/592616841.db2.gz YARPSFYFZNJARN-JKSUJKDBSA-N 2 2 329.448 1.451 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)cc[nH+]1 ZINC000907375179 592616844 /nfs/dbraw/zinc/61/68/44/592616844.db2.gz YARPSFYFZNJARN-JKSUJKDBSA-N 2 2 329.448 1.451 20 0 EDADLP O[C@@H](C[NH2+]CC1([NH+]2CCSCC2)CCCC1)C1(O)CCCC1 ZINC000905906446 592675854 /nfs/dbraw/zinc/67/58/54/592675854.db2.gz KIBDCTAKAFZRLI-HNNXBMFYSA-N 2 2 328.522 1.604 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CC2(O)CCCCC2)C1 ZINC000905938316 592689665 /nfs/dbraw/zinc/68/96/65/592689665.db2.gz PTMXQLPNHRIINV-SJORKVTESA-N 2 2 328.497 1.379 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CC2(O)CCCCC2)C1 ZINC000905938316 592689666 /nfs/dbraw/zinc/68/96/66/592689666.db2.gz PTMXQLPNHRIINV-SJORKVTESA-N 2 2 328.497 1.379 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000909914581 592711475 /nfs/dbraw/zinc/71/14/75/592711475.db2.gz NOUSWEYDHQJYED-KRWDZBQOSA-N 2 2 348.491 1.282 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000909914581 592711479 /nfs/dbraw/zinc/71/14/79/592711479.db2.gz NOUSWEYDHQJYED-KRWDZBQOSA-N 2 2 348.491 1.282 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(CC)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000907566793 592712631 /nfs/dbraw/zinc/71/26/31/592712631.db2.gz KBSXYORFJJJRGO-SJORKVTESA-N 2 2 347.507 1.747 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(CC)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000907566793 592712633 /nfs/dbraw/zinc/71/26/33/592712633.db2.gz KBSXYORFJJJRGO-SJORKVTESA-N 2 2 347.507 1.747 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)co2)C1 ZINC000906201178 592758429 /nfs/dbraw/zinc/75/84/29/592758429.db2.gz XCYUKGFIHAYRLP-SQWLQELKSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)co2)C1 ZINC000906201178 592758432 /nfs/dbraw/zinc/75/84/32/592758432.db2.gz XCYUKGFIHAYRLP-SQWLQELKSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)co2)C1 ZINC000906201178 592758434 /nfs/dbraw/zinc/75/84/34/592758434.db2.gz XCYUKGFIHAYRLP-SQWLQELKSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)co2)C1 ZINC000906201178 592758437 /nfs/dbraw/zinc/75/84/37/592758437.db2.gz XCYUKGFIHAYRLP-SQWLQELKSA-N 2 2 348.447 1.252 20 0 EDADLP c1nc(Cn2cc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)nn2)no1 ZINC000906274045 592771510 /nfs/dbraw/zinc/77/15/10/592771510.db2.gz YQBIBZACXZTCHU-ZDUSSCGKSA-N 2 2 340.391 1.038 20 0 EDADLP c1nc(Cn2cc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)nn2)no1 ZINC000906274045 592771511 /nfs/dbraw/zinc/77/15/11/592771511.db2.gz YQBIBZACXZTCHU-ZDUSSCGKSA-N 2 2 340.391 1.038 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000907836185 592810863 /nfs/dbraw/zinc/81/08/63/592810863.db2.gz JJASLFGJNXGIJU-LPHOPBHVSA-N 2 2 346.475 1.381 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000907836185 592810864 /nfs/dbraw/zinc/81/08/64/592810864.db2.gz JJASLFGJNXGIJU-LPHOPBHVSA-N 2 2 346.475 1.381 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907840282 592822283 /nfs/dbraw/zinc/82/22/83/592822283.db2.gz SZNXDWQALCIFML-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907840282 592822285 /nfs/dbraw/zinc/82/22/85/592822285.db2.gz SZNXDWQALCIFML-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CCO2)CC1 ZINC000906589511 592853047 /nfs/dbraw/zinc/85/30/47/592853047.db2.gz CXKMFNBDUVBGLE-CEXWTWQISA-N 2 2 333.451 1.630 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+]([C@@H]3C[C@H]3c3cccc(F)c3)CCO2)CC1 ZINC000906589511 592853051 /nfs/dbraw/zinc/85/30/51/592853051.db2.gz CXKMFNBDUVBGLE-CEXWTWQISA-N 2 2 333.451 1.630 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000910688219 592886099 /nfs/dbraw/zinc/88/60/99/592886099.db2.gz ZOSVXSUQWDVCNX-HUUCEWRRSA-N 2 2 347.463 1.167 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000910688219 592886100 /nfs/dbraw/zinc/88/61/00/592886100.db2.gz ZOSVXSUQWDVCNX-HUUCEWRRSA-N 2 2 347.463 1.167 20 0 EDADLP C[N@H+](CC(=O)N1CC2(CC[NH+]2Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000910780274 592893833 /nfs/dbraw/zinc/89/38/33/592893833.db2.gz AZOGISHBYGDTCI-QGZVFWFLSA-N 2 2 345.512 1.911 20 0 EDADLP C[N@@H+](CC(=O)N1CC2(CC[NH+]2Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000910780274 592893834 /nfs/dbraw/zinc/89/38/34/592893834.db2.gz AZOGISHBYGDTCI-QGZVFWFLSA-N 2 2 345.512 1.911 20 0 EDADLP C[NH+](CC(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000910780274 592893835 /nfs/dbraw/zinc/89/38/35/592893835.db2.gz AZOGISHBYGDTCI-QGZVFWFLSA-N 2 2 345.512 1.911 20 0 EDADLP C[NH+](CC(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000910780274 592893836 /nfs/dbraw/zinc/89/38/36/592893836.db2.gz AZOGISHBYGDTCI-QGZVFWFLSA-N 2 2 345.512 1.911 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911641732 592964758 /nfs/dbraw/zinc/96/47/58/592964758.db2.gz HXVWWZYXVHNZFN-UHFFFAOYSA-N 2 2 343.431 1.197 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000911857011 593027796 /nfs/dbraw/zinc/02/77/96/593027796.db2.gz SCOFZFYENUSKHL-GRYCIOLGSA-N 2 2 330.354 1.809 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1[nH+]c2c(cc1-c1nn[nH]n1)CCC2 ZINC000736854577 593042324 /nfs/dbraw/zinc/04/23/24/593042324.db2.gz DPBPFKFAXPQTTB-GFCCVEGCSA-N 2 2 327.436 1.528 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1[nH+]c2c(cc1-c1nn[nH]n1)CCC2 ZINC000736854577 593042326 /nfs/dbraw/zinc/04/23/26/593042326.db2.gz DPBPFKFAXPQTTB-GFCCVEGCSA-N 2 2 327.436 1.528 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[NH2+]CCN1C)c1ccc(Cl)cc1 ZINC000912135992 593064886 /nfs/dbraw/zinc/06/48/86/593064886.db2.gz OUFHXZHLBJWTIP-GJZGRUSLSA-N 2 2 347.850 1.183 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CN3C[C@@H](c4cccnc4)CC3=O)C2)C1 ZINC000840085976 593156859 /nfs/dbraw/zinc/15/68/59/593156859.db2.gz JFIBFRSJYCALSW-PKOBYXMFSA-N 2 2 328.460 1.773 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CN3C[C@@H](c4cccnc4)CC3=O)C2)C1 ZINC000840085976 593156861 /nfs/dbraw/zinc/15/68/61/593156861.db2.gz JFIBFRSJYCALSW-PKOBYXMFSA-N 2 2 328.460 1.773 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CN3C[C@@H](c4cccnc4)CC3=O)C2)C1 ZINC000840085976 593156864 /nfs/dbraw/zinc/15/68/64/593156864.db2.gz JFIBFRSJYCALSW-PKOBYXMFSA-N 2 2 328.460 1.773 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CN3C[C@@H](c4cccnc4)CC3=O)C2)C1 ZINC000840085976 593156866 /nfs/dbraw/zinc/15/68/66/593156866.db2.gz JFIBFRSJYCALSW-PKOBYXMFSA-N 2 2 328.460 1.773 20 0 EDADLP CN(C)CC[N@H+](C)CCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000808131335 593226046 /nfs/dbraw/zinc/22/60/46/593226046.db2.gz KVSGPQJBASVHEY-UHFFFAOYSA-N 2 2 333.484 1.877 20 0 EDADLP CN(C)CC[N@@H+](C)CCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000808131335 593226048 /nfs/dbraw/zinc/22/60/48/593226048.db2.gz KVSGPQJBASVHEY-UHFFFAOYSA-N 2 2 333.484 1.877 20 0 EDADLP Cn1cc([C@@H]2N(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171128 593233376 /nfs/dbraw/zinc/23/33/76/593233376.db2.gz ILDRABPWBWHPAY-PVAVHDDUSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@@H]2N(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171128 593233377 /nfs/dbraw/zinc/23/33/77/593233377.db2.gz ILDRABPWBWHPAY-PVAVHDDUSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@@H]2N(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171128 593233378 /nfs/dbraw/zinc/23/33/78/593233378.db2.gz ILDRABPWBWHPAY-PVAVHDDUSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@@H]2N(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C(=O)C2(C)C)cn1 ZINC000808171128 593233379 /nfs/dbraw/zinc/23/33/79/593233379.db2.gz ILDRABPWBWHPAY-PVAVHDDUSA-N 2 2 345.491 1.703 20 0 EDADLP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000838898968 593237157 /nfs/dbraw/zinc/23/71/57/593237157.db2.gz QCILSCASTQNTCP-GOSISDBHSA-N 2 2 348.487 1.975 20 0 EDADLP CCOC(=O)CC(C)(C)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000838898968 593237158 /nfs/dbraw/zinc/23/71/58/593237158.db2.gz QCILSCASTQNTCP-GOSISDBHSA-N 2 2 348.487 1.975 20 0 EDADLP Cn1c[nH+]c(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000808399942 593257002 /nfs/dbraw/zinc/25/70/02/593257002.db2.gz ZBCBEMZZOVLFJI-HNNXBMFYSA-N 2 2 327.432 1.730 20 0 EDADLP Cn1c[nH+]c(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000808399942 593257005 /nfs/dbraw/zinc/25/70/05/593257005.db2.gz ZBCBEMZZOVLFJI-HNNXBMFYSA-N 2 2 327.432 1.730 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000839148660 593265015 /nfs/dbraw/zinc/26/50/15/593265015.db2.gz LJFHNRUZYIHLEG-CXAGYDPISA-N 2 2 337.489 1.557 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000839148660 593265016 /nfs/dbraw/zinc/26/50/16/593265016.db2.gz LJFHNRUZYIHLEG-CXAGYDPISA-N 2 2 337.489 1.557 20 0 EDADLP CC[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000802875514 593285771 /nfs/dbraw/zinc/28/57/71/593285771.db2.gz JTLRNBINKUMSID-CIQAELJKSA-N 2 2 335.492 1.571 20 0 EDADLP CC[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000802875514 593285772 /nfs/dbraw/zinc/28/57/72/593285772.db2.gz JTLRNBINKUMSID-CIQAELJKSA-N 2 2 335.492 1.571 20 0 EDADLP CC(C)[C@H]1N(C[NH+]2CCC(n3cc[nH+]c3)CC2)C(=O)[C@]12CCCO2 ZINC000840002232 593330717 /nfs/dbraw/zinc/33/07/17/593330717.db2.gz FYXXQWIKYGFFQB-AEFFLSMTSA-N 2 2 332.448 1.894 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CCN(Cc3cccnc3)C2=O)C1 ZINC000840029750 593393690 /nfs/dbraw/zinc/39/36/90/593393690.db2.gz GPJXYWKKWRAEGE-ZWKOTPCHSA-N 2 2 343.475 1.693 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CCN(Cc3cccnc3)C2=O)C1 ZINC000840029750 593393694 /nfs/dbraw/zinc/39/36/94/593393694.db2.gz GPJXYWKKWRAEGE-ZWKOTPCHSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2CCN(Cc3cccnc3)C2=O)C1 ZINC000840029750 593393695 /nfs/dbraw/zinc/39/36/95/593393695.db2.gz GPJXYWKKWRAEGE-ZWKOTPCHSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2CCN(Cc3cccnc3)C2=O)C1 ZINC000840029750 593393698 /nfs/dbraw/zinc/39/36/98/593393698.db2.gz GPJXYWKKWRAEGE-ZWKOTPCHSA-N 2 2 343.475 1.693 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000758224364 593397058 /nfs/dbraw/zinc/39/70/58/593397058.db2.gz UGWMRJUKMCSMOL-QGZVFWFLSA-N 2 2 331.420 1.588 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000810523971 593409324 /nfs/dbraw/zinc/40/93/24/593409324.db2.gz KADKICKGXNTIKY-PBHICJAKSA-N 2 2 327.444 1.132 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000810523971 593409325 /nfs/dbraw/zinc/40/93/25/593409325.db2.gz KADKICKGXNTIKY-PBHICJAKSA-N 2 2 327.444 1.132 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000811758796 593479684 /nfs/dbraw/zinc/47/96/84/593479684.db2.gz LEFXMSLZNZSNKB-OWSLCNJRSA-N 2 2 347.503 1.920 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000811758796 593479685 /nfs/dbraw/zinc/47/96/85/593479685.db2.gz LEFXMSLZNZSNKB-OWSLCNJRSA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000811758796 593479686 /nfs/dbraw/zinc/47/96/86/593479686.db2.gz LEFXMSLZNZSNKB-OWSLCNJRSA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)C4(CCC4)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000811758796 593479687 /nfs/dbraw/zinc/47/96/87/593479687.db2.gz LEFXMSLZNZSNKB-OWSLCNJRSA-N 2 2 347.503 1.920 20 0 EDADLP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(CO)on3)CC2)nc(C)[nH+]1 ZINC000813328635 593526956 /nfs/dbraw/zinc/52/69/56/593526956.db2.gz KLXDLGAKTZVMMH-LBPRGKRZSA-N 2 2 331.420 1.893 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC000816934612 593560319 /nfs/dbraw/zinc/56/03/19/593560319.db2.gz ZRWVMYICNGISES-HNNXBMFYSA-N 2 2 327.432 1.279 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000817889546 593645462 /nfs/dbraw/zinc/64/54/62/593645462.db2.gz OZURDIBLPQRPGB-WMZOPIPTSA-N 3 2 327.432 1.432 20 0 EDADLP COc1ccccc1[C@H](N[C@@H](C)C[C@H]1COCC[NH2+]1)c1[nH+]ccn1C ZINC000817901743 593647034 /nfs/dbraw/zinc/64/70/34/593647034.db2.gz XXVVFJGGFVLLMH-MPGHIAIKSA-N 2 2 344.459 1.875 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000818033610 593659513 /nfs/dbraw/zinc/65/95/13/593659513.db2.gz MQEBQGQGKSCDFR-UHFFFAOYSA-N 2 2 344.459 1.889 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000818033610 593659514 /nfs/dbraw/zinc/65/95/14/593659514.db2.gz MQEBQGQGKSCDFR-UHFFFAOYSA-N 2 2 344.459 1.889 20 0 EDADLP [NH3+]CCc1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000818536511 593703827 /nfs/dbraw/zinc/70/38/27/593703827.db2.gz WTBFJHOGVGADFT-UHFFFAOYSA-N 2 2 325.403 1.781 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000818945962 593729508 /nfs/dbraw/zinc/72/95/08/593729508.db2.gz WOYMWMGSJNSNQJ-OAHLLOKOSA-N 2 2 348.447 1.742 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000818987401 593732656 /nfs/dbraw/zinc/73/26/56/593732656.db2.gz XFVKXELESHNQBD-SCTDSRPQSA-N 2 2 348.443 1.082 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000818987401 593732657 /nfs/dbraw/zinc/73/26/57/593732657.db2.gz XFVKXELESHNQBD-SCTDSRPQSA-N 2 2 348.443 1.082 20 0 EDADLP Cc1cc(F)ccc1[C@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000819045933 593735326 /nfs/dbraw/zinc/73/53/26/593735326.db2.gz LAOCSBYEXNMXGA-QGZVFWFLSA-N 2 2 337.439 1.310 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000823699151 593837407 /nfs/dbraw/zinc/83/74/07/593837407.db2.gz SXDKCWIVHGSKMW-GJZGRUSLSA-N 2 2 348.476 1.396 20 0 EDADLP Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c(N(C)C)[nH+]1 ZINC000822079309 593990676 /nfs/dbraw/zinc/99/06/76/593990676.db2.gz YCJYFBUSAAVUKK-AWEZNQCLSA-N 2 2 333.436 1.394 20 0 EDADLP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CCCC[N@@H+]3CCO)ccc21 ZINC000824583856 594042656 /nfs/dbraw/zinc/04/26/56/594042656.db2.gz SLJRTBROLQIFMR-QGZVFWFLSA-N 2 2 331.460 1.532 20 0 EDADLP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CCCC[N@H+]3CCO)ccc21 ZINC000824583856 594042658 /nfs/dbraw/zinc/04/26/58/594042658.db2.gz SLJRTBROLQIFMR-QGZVFWFLSA-N 2 2 331.460 1.532 20 0 EDADLP COCC1(c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)CC[NH2+]CC1 ZINC000822677609 594084101 /nfs/dbraw/zinc/08/41/01/594084101.db2.gz YJRWLTWVGRKEMW-UHFFFAOYSA-N 2 2 340.387 1.585 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3noc([C@H]4C[NH2+]CCO4)n3)C2)cc1 ZINC000822951816 594127786 /nfs/dbraw/zinc/12/77/86/594127786.db2.gz XXEJNUWVPVGQSK-CABCVRRESA-N 2 2 330.388 1.304 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3noc([C@H]4C[NH2+]CCO4)n3)C2)cc1 ZINC000822951816 594127788 /nfs/dbraw/zinc/12/77/88/594127788.db2.gz XXEJNUWVPVGQSK-CABCVRRESA-N 2 2 330.388 1.304 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)Cc3ccc[nH+]c3N2C1 ZINC000825258044 594157281 /nfs/dbraw/zinc/15/72/81/594157281.db2.gz IIJXVONCZDCZLI-DJIMGWMZSA-N 2 2 344.459 1.359 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)Cc3ccc[nH+]c3N2C1 ZINC000825258044 594157282 /nfs/dbraw/zinc/15/72/82/594157282.db2.gz IIJXVONCZDCZLI-DJIMGWMZSA-N 2 2 344.459 1.359 20 0 EDADLP Cc1ncccc1/C=C/C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823282499 594180013 /nfs/dbraw/zinc/18/00/13/594180013.db2.gz RFYVJBKWFOLBNT-FUTAKVPZSA-N 2 2 328.460 1.688 20 0 EDADLP Cc1ncccc1/C=C/C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823282499 594180015 /nfs/dbraw/zinc/18/00/15/594180015.db2.gz RFYVJBKWFOLBNT-FUTAKVPZSA-N 2 2 328.460 1.688 20 0 EDADLP CCn1nc(C)c(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000823568801 594217887 /nfs/dbraw/zinc/21/78/87/594217887.db2.gz MIIDGRXJVGJRCD-IBGZPJMESA-N 2 2 342.491 1.685 20 0 EDADLP C[NH+](C)C1CCN(c2[nH+]c3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000825856152 594263284 /nfs/dbraw/zinc/26/32/84/594263284.db2.gz POCNIJWQCDKZHH-UHFFFAOYSA-N 2 2 327.436 1.671 20 0 EDADLP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC12COC2 ZINC000826030229 594310546 /nfs/dbraw/zinc/31/05/46/594310546.db2.gz SWJOJYUBVRGHKF-INIZCTEOSA-N 2 2 342.399 1.279 20 0 EDADLP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000829589133 594646110 /nfs/dbraw/zinc/64/61/10/594646110.db2.gz SNTWNBJNXQNUEO-SNAWJCMRSA-N 2 2 337.508 1.701 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867119548 594810621 /nfs/dbraw/zinc/81/06/21/594810621.db2.gz FKIQPJPUAOIOOO-CKEIUWERSA-N 2 2 328.416 1.565 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867119548 594810623 /nfs/dbraw/zinc/81/06/23/594810623.db2.gz FKIQPJPUAOIOOO-CKEIUWERSA-N 2 2 328.416 1.565 20 0 EDADLP Cc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000840939253 594830165 /nfs/dbraw/zinc/83/01/65/594830165.db2.gz LOGIQIIRLRBPAT-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000840939253 594830167 /nfs/dbraw/zinc/83/01/67/594830167.db2.gz LOGIQIIRLRBPAT-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000840939253 594830168 /nfs/dbraw/zinc/83/01/68/594830168.db2.gz LOGIQIIRLRBPAT-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000840939253 594830170 /nfs/dbraw/zinc/83/01/70/594830170.db2.gz LOGIQIIRLRBPAT-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP Cc1nc(-c2ccccc2NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])no1 ZINC000841058232 594845618 /nfs/dbraw/zinc/84/56/18/594845618.db2.gz UTDCZENOQLFNAT-LBPRGKRZSA-N 2 2 330.392 1.152 20 0 EDADLP Cc1nc(-c2ccccc2NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])no1 ZINC000841058232 594845622 /nfs/dbraw/zinc/84/56/22/594845622.db2.gz UTDCZENOQLFNAT-LBPRGKRZSA-N 2 2 330.392 1.152 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)c(N(C)C)[nH+]1 ZINC000841193346 594866276 /nfs/dbraw/zinc/86/62/76/594866276.db2.gz SUNOSASWQMJYAZ-ZDUSSCGKSA-N 2 2 335.452 1.226 20 0 EDADLP C[C@H]([C@H](C)NC(=O)Nc1cccc(OCC[NH3+])c1)[NH+]1CCOCC1 ZINC000841287509 594882022 /nfs/dbraw/zinc/88/20/22/594882022.db2.gz MJSUFPZUYLWSNL-UONOGXRCSA-N 2 2 336.436 1.255 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841694558 594938903 /nfs/dbraw/zinc/93/89/03/594938903.db2.gz ZAWDTFYLUSXODB-UHFFFAOYSA-N 2 2 327.432 1.648 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000841763680 594948571 /nfs/dbraw/zinc/94/85/71/594948571.db2.gz PJBGCEMUFPLYNH-KKUMJFAQSA-N 2 2 341.496 1.989 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841837676 594961205 /nfs/dbraw/zinc/96/12/05/594961205.db2.gz DVNVKRSMVDBEFY-CQSZACIVSA-N 2 2 333.480 1.758 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841837676 594961206 /nfs/dbraw/zinc/96/12/06/594961206.db2.gz DVNVKRSMVDBEFY-CQSZACIVSA-N 2 2 333.480 1.758 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC[C@H]1c1ccc(F)cc1 ZINC000841907654 594980049 /nfs/dbraw/zinc/98/00/49/594980049.db2.gz QNZWLTMVVSLPSX-ARFHVFGLSA-N 2 2 343.406 1.993 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000867400630 595101912 /nfs/dbraw/zinc/10/19/12/595101912.db2.gz DBPIYBPMYIEWAX-NVXWUHKLSA-N 2 2 328.416 1.566 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000842474549 595114058 /nfs/dbraw/zinc/11/40/58/595114058.db2.gz VITSCWCSUYAKKH-DZGCQCFKSA-N 2 2 341.477 1.494 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000842474549 595114061 /nfs/dbraw/zinc/11/40/61/595114061.db2.gz VITSCWCSUYAKKH-DZGCQCFKSA-N 2 2 341.477 1.494 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000837488518 595123486 /nfs/dbraw/zinc/12/34/86/595123486.db2.gz BBYCTDDMZWDWLC-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000837488518 595123487 /nfs/dbraw/zinc/12/34/87/595123487.db2.gz BBYCTDDMZWDWLC-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000834641267 595182175 /nfs/dbraw/zinc/18/21/75/595182175.db2.gz GFHQMAUGXSFVGQ-UHFFFAOYSA-N 2 2 339.403 1.854 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000834641267 595182178 /nfs/dbraw/zinc/18/21/78/595182178.db2.gz GFHQMAUGXSFVGQ-UHFFFAOYSA-N 2 2 339.403 1.854 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCn4ccnc43)c2cc1C ZINC000834654654 595184174 /nfs/dbraw/zinc/18/41/74/595184174.db2.gz QRQYSTFIUNOZCL-CABCVRRESA-N 2 2 325.416 1.945 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000101644812 595197813 /nfs/dbraw/zinc/19/78/13/595197813.db2.gz JAGSRCHJTXCFLM-UHFFFAOYSA-N 2 2 342.447 1.757 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000844020752 595246307 /nfs/dbraw/zinc/24/63/07/595246307.db2.gz DNXYHCBPONXHDG-OKILXGFUSA-N 2 2 339.505 1.991 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000844020752 595246309 /nfs/dbraw/zinc/24/63/09/595246309.db2.gz DNXYHCBPONXHDG-OKILXGFUSA-N 2 2 339.505 1.991 20 0 EDADLP Cc1cc(C)cc(-n2ncc(C[N@H+](C)CCN3CC[NH2+]CC3)n2)c1 ZINC000843052440 595275381 /nfs/dbraw/zinc/27/53/81/595275381.db2.gz KZCYPJNZMBWUJY-UHFFFAOYSA-N 2 2 328.464 1.221 20 0 EDADLP Cc1cc(C)cc(-n2ncc(C[N@@H+](C)CCN3CC[NH2+]CC3)n2)c1 ZINC000843052440 595275385 /nfs/dbraw/zinc/27/53/85/595275385.db2.gz KZCYPJNZMBWUJY-UHFFFAOYSA-N 2 2 328.464 1.221 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000843063692 595277481 /nfs/dbraw/zinc/27/74/81/595277481.db2.gz DUNARWODAPPCDX-VQIMIIECSA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000843063692 595277482 /nfs/dbraw/zinc/27/74/82/595277482.db2.gz DUNARWODAPPCDX-VQIMIIECSA-N 2 2 332.419 1.942 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000846673107 595298219 /nfs/dbraw/zinc/29/82/19/595298219.db2.gz NTJXXGRLRXRUTH-JKIFEVAISA-N 2 2 334.464 1.518 20 0 EDADLP c1cn(-c2ncccc2-c2noc(C[C@H]3CSCC[NH2+]3)n2)c[nH+]1 ZINC000843181210 595300265 /nfs/dbraw/zinc/30/02/65/595300265.db2.gz WRNUJKFHJACYDH-NSHDSACASA-N 2 2 328.401 1.565 20 0 EDADLP C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000844219661 595305243 /nfs/dbraw/zinc/30/52/43/595305243.db2.gz NTJAROFQUSSYPQ-KRWDZBQOSA-N 2 2 332.448 1.146 20 0 EDADLP C[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000844219661 595305246 /nfs/dbraw/zinc/30/52/46/595305246.db2.gz NTJAROFQUSSYPQ-KRWDZBQOSA-N 2 2 332.448 1.146 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)Nc3cccnc3Cl)C2)nn1 ZINC000844225630 595308948 /nfs/dbraw/zinc/30/89/48/595308948.db2.gz DGXMNDNTYJZZGR-LBPRGKRZSA-N 2 2 349.826 1.061 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)nn1 ZINC000844225630 595308949 /nfs/dbraw/zinc/30/89/49/595308949.db2.gz DGXMNDNTYJZZGR-LBPRGKRZSA-N 2 2 349.826 1.061 20 0 EDADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)C1 ZINC000844226884 595309845 /nfs/dbraw/zinc/30/98/45/595309845.db2.gz RYEKSPHFDLDNRU-ZWKOTPCHSA-N 3 2 341.459 1.986 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000844646573 595367094 /nfs/dbraw/zinc/36/70/94/595367094.db2.gz VEZIPDPQEHAIPV-BZUAXINKSA-N 2 2 347.507 1.572 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000844646573 595367097 /nfs/dbraw/zinc/36/70/97/595367097.db2.gz VEZIPDPQEHAIPV-BZUAXINKSA-N 2 2 347.507 1.572 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848776594 595445211 /nfs/dbraw/zinc/44/52/11/595445211.db2.gz JUIIDBWRDBGTSF-WMZOPIPTSA-N 2 2 332.444 1.772 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848776594 595445212 /nfs/dbraw/zinc/44/52/12/595445212.db2.gz JUIIDBWRDBGTSF-WMZOPIPTSA-N 2 2 332.444 1.772 20 0 EDADLP C[C@H]1CN(C(=[NH2+])NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000849094019 595480553 /nfs/dbraw/zinc/48/05/53/595480553.db2.gz UEJLTKLYTCKWGR-HNNXBMFYSA-N 2 2 349.454 1.193 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108551480 595513160 /nfs/dbraw/zinc/51/31/60/595513160.db2.gz VNTBNUBDKPIFQW-INIZCTEOSA-N 2 2 340.431 1.551 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108551480 595513163 /nfs/dbraw/zinc/51/31/63/595513163.db2.gz VNTBNUBDKPIFQW-INIZCTEOSA-N 2 2 340.431 1.551 20 0 EDADLP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000852756014 595527609 /nfs/dbraw/zinc/52/76/09/595527609.db2.gz PWUNSCUVPIMRIL-UHFFFAOYSA-N 2 2 344.459 1.275 20 0 EDADLP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000852756014 595527612 /nfs/dbraw/zinc/52/76/12/595527612.db2.gz PWUNSCUVPIMRIL-UHFFFAOYSA-N 2 2 344.459 1.275 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849523469 595558224 /nfs/dbraw/zinc/55/82/24/595558224.db2.gz WHKNCDPBLNXVGS-IRXDYDNUSA-N 2 2 341.459 1.998 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849523469 595558226 /nfs/dbraw/zinc/55/82/26/595558226.db2.gz WHKNCDPBLNXVGS-IRXDYDNUSA-N 2 2 341.459 1.998 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000849533561 595559652 /nfs/dbraw/zinc/55/96/52/595559652.db2.gz VYWJCZVIZISSDV-CVEARBPZSA-N 2 2 338.415 1.742 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000849533561 595559654 /nfs/dbraw/zinc/55/96/54/595559654.db2.gz VYWJCZVIZISSDV-CVEARBPZSA-N 2 2 338.415 1.742 20 0 EDADLP [NH3+]C[C@@H]1CC(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)=NO1 ZINC000852855241 595577006 /nfs/dbraw/zinc/57/70/06/595577006.db2.gz XGRWYXGGIUVQRU-LBPRGKRZSA-N 2 2 327.388 1.805 20 0 EDADLP [NH3+][C@@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C1CC1 ZINC000852901255 595606074 /nfs/dbraw/zinc/60/60/74/595606074.db2.gz DKLNMDFCXAHBFA-KSZLIROESA-N 2 2 329.444 1.226 20 0 EDADLP [NH3+][C@@H](CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C1CC1 ZINC000852901255 595606077 /nfs/dbraw/zinc/60/60/77/595606077.db2.gz DKLNMDFCXAHBFA-KSZLIROESA-N 2 2 329.444 1.226 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)ccc1F ZINC000853115861 595669356 /nfs/dbraw/zinc/66/93/56/595669356.db2.gz NSGZBGIRLZZEHJ-PBHICJAKSA-N 2 2 326.387 1.841 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)nc[nH+]2)CC1 ZINC000853241580 595716798 /nfs/dbraw/zinc/71/67/98/595716798.db2.gz LUZHSPJHMLHDJK-LSDHHAIUSA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)nc[nH+]2)CC1 ZINC000853241580 595716801 /nfs/dbraw/zinc/71/68/01/595716801.db2.gz LUZHSPJHMLHDJK-LSDHHAIUSA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)[nH+]cn2)CC1 ZINC000853241580 595716803 /nfs/dbraw/zinc/71/68/03/595716803.db2.gz LUZHSPJHMLHDJK-LSDHHAIUSA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)[nH+]cn2)CC1 ZINC000853241580 595716804 /nfs/dbraw/zinc/71/68/04/595716804.db2.gz LUZHSPJHMLHDJK-LSDHHAIUSA-N 2 2 347.463 1.103 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCCCC1 ZINC000853465159 595758466 /nfs/dbraw/zinc/75/84/66/595758466.db2.gz CMVDIEBBJFTHFU-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP OCCCC[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000858421574 595790727 /nfs/dbraw/zinc/79/07/27/595790727.db2.gz BPSWLHAFIYJSGR-UHFFFAOYSA-N 2 2 325.416 1.777 20 0 EDADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000858549417 595825839 /nfs/dbraw/zinc/82/58/39/595825839.db2.gz VGDUBUIVTAPTTF-GDBMZVCRSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000858549417 595825842 /nfs/dbraw/zinc/82/58/42/595825842.db2.gz VGDUBUIVTAPTTF-GDBMZVCRSA-N 2 2 341.496 1.678 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CCO1 ZINC000856427750 595988110 /nfs/dbraw/zinc/98/81/10/595988110.db2.gz DOUNTGBKQOKDFM-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852019000 596009585 /nfs/dbraw/zinc/00/95/85/596009585.db2.gz SEGXDEITAXXUBO-YJBOKZPZSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852019000 596009589 /nfs/dbraw/zinc/00/95/89/596009589.db2.gz SEGXDEITAXXUBO-YJBOKZPZSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852019000 596009591 /nfs/dbraw/zinc/00/95/91/596009591.db2.gz SEGXDEITAXXUBO-YJBOKZPZSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852019000 596009594 /nfs/dbraw/zinc/00/95/94/596009594.db2.gz SEGXDEITAXXUBO-YJBOKZPZSA-N 2 2 343.512 1.924 20 0 EDADLP CCOC(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558004 596018271 /nfs/dbraw/zinc/01/82/71/596018271.db2.gz CEVRDPYDVVSXKC-QGZVFWFLSA-N 2 2 335.448 1.938 20 0 EDADLP CCOC(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558004 596018275 /nfs/dbraw/zinc/01/82/75/596018275.db2.gz CEVRDPYDVVSXKC-QGZVFWFLSA-N 2 2 335.448 1.938 20 0 EDADLP CCOC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856558004 596018279 /nfs/dbraw/zinc/01/82/79/596018279.db2.gz CEVRDPYDVVSXKC-QGZVFWFLSA-N 2 2 335.448 1.938 20 0 EDADLP CCOC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856558004 596018283 /nfs/dbraw/zinc/01/82/83/596018283.db2.gz CEVRDPYDVVSXKC-QGZVFWFLSA-N 2 2 335.448 1.938 20 0 EDADLP COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852041451 596018699 /nfs/dbraw/zinc/01/86/99/596018699.db2.gz OWGBAERUJCRCOO-WCQYABFASA-N 2 2 326.359 1.115 20 0 EDADLP COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852041451 596018701 /nfs/dbraw/zinc/01/87/01/596018701.db2.gz OWGBAERUJCRCOO-WCQYABFASA-N 2 2 326.359 1.115 20 0 EDADLP COC(=O)[C@@]1(C(F)(F)F)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000852041451 596018703 /nfs/dbraw/zinc/01/87/03/596018703.db2.gz OWGBAERUJCRCOO-WCQYABFASA-N 2 2 326.359 1.115 20 0 EDADLP COC(=O)[C@@]1(C(F)(F)F)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000852041451 596018705 /nfs/dbraw/zinc/01/87/05/596018705.db2.gz OWGBAERUJCRCOO-WCQYABFASA-N 2 2 326.359 1.115 20 0 EDADLP CCN1OC[C@H]([N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584222 596020625 /nfs/dbraw/zinc/02/06/25/596020625.db2.gz FIIKWGQKVNXYQO-IRXDYDNUSA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@H]([N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584222 596020629 /nfs/dbraw/zinc/02/06/29/596020629.db2.gz FIIKWGQKVNXYQO-IRXDYDNUSA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@H]([NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856584222 596020633 /nfs/dbraw/zinc/02/06/33/596020633.db2.gz FIIKWGQKVNXYQO-IRXDYDNUSA-N 2 2 348.447 1.149 20 0 EDADLP CCN1OC[C@H]([NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856584222 596020638 /nfs/dbraw/zinc/02/06/38/596020638.db2.gz FIIKWGQKVNXYQO-IRXDYDNUSA-N 2 2 348.447 1.149 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1C ZINC000861568229 596031720 /nfs/dbraw/zinc/03/17/20/596031720.db2.gz QTGGPXUUDDWGJS-HDICACEKSA-N 2 2 332.448 1.848 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000861615597 596047384 /nfs/dbraw/zinc/04/73/84/596047384.db2.gz RNJYTYFKGIWZCN-VQISRLSMSA-N 2 2 326.391 1.699 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000861615597 596047388 /nfs/dbraw/zinc/04/73/88/596047388.db2.gz RNJYTYFKGIWZCN-VQISRLSMSA-N 2 2 326.391 1.699 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)C[NH2+]1 ZINC000861688861 596069198 /nfs/dbraw/zinc/06/91/98/596069198.db2.gz VATMQECCCVKZPG-QWHCGFSZSA-N 2 2 339.509 1.336 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852448085 596166533 /nfs/dbraw/zinc/16/65/33/596166533.db2.gz BWYPGMYXAAWHLA-INIZCTEOSA-N 2 2 341.496 1.773 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852448085 596166535 /nfs/dbraw/zinc/16/65/35/596166535.db2.gz BWYPGMYXAAWHLA-INIZCTEOSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852448085 596166537 /nfs/dbraw/zinc/16/65/37/596166537.db2.gz BWYPGMYXAAWHLA-INIZCTEOSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852448085 596166539 /nfs/dbraw/zinc/16/65/39/596166539.db2.gz BWYPGMYXAAWHLA-INIZCTEOSA-N 2 2 341.496 1.773 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc3cnccc3c2)CC1 ZINC000859883471 596214867 /nfs/dbraw/zinc/21/48/67/596214867.db2.gz CMYBASRRMXBHLI-UHFFFAOYSA-N 2 2 340.471 1.920 20 0 EDADLP O=C1OC[C@@]2(C[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)C3)COCCN12 ZINC000866518819 596238306 /nfs/dbraw/zinc/23/83/06/596238306.db2.gz HIJDDDQGZRTRQD-PKOBYXMFSA-N 2 2 345.443 1.462 20 0 EDADLP O=C1OC[C@@]2(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)C3)COCCN12 ZINC000866518819 596238307 /nfs/dbraw/zinc/23/83/07/596238307.db2.gz HIJDDDQGZRTRQD-PKOBYXMFSA-N 2 2 345.443 1.462 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)Cc3ccc[nH+]c3N2C1 ZINC000870537571 596275487 /nfs/dbraw/zinc/27/54/87/596275487.db2.gz LNQIYSYBHMYRST-IKGGRYGDSA-N 2 2 346.475 1.604 20 0 EDADLP Cc1cc2oc(=O)cc(C[NH+]3CCC([NH2+]CCO)CC3)c2cc1C ZINC000866682646 596292640 /nfs/dbraw/zinc/29/26/40/596292640.db2.gz PFADAOWMFWHAPD-UHFFFAOYSA-N 2 2 330.428 1.956 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CC(F)F)C3)CC[C@H]21 ZINC000866708212 596303259 /nfs/dbraw/zinc/30/32/59/596303259.db2.gz DEDWWSXLSHTEFI-RBSFLKMASA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CC(F)F)C3)CC[C@H]21 ZINC000866708212 596303263 /nfs/dbraw/zinc/30/32/63/596303263.db2.gz DEDWWSXLSHTEFI-RBSFLKMASA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CC(F)F)C3)CC[C@H]21 ZINC000866708212 596303265 /nfs/dbraw/zinc/30/32/65/596303265.db2.gz DEDWWSXLSHTEFI-RBSFLKMASA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CC(F)F)C3)CC[C@H]21 ZINC000866708212 596303268 /nfs/dbraw/zinc/30/32/68/596303268.db2.gz DEDWWSXLSHTEFI-RBSFLKMASA-N 2 2 329.435 1.906 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862473063 596333829 /nfs/dbraw/zinc/33/38/29/596333829.db2.gz CJTYVKYEHYOXBB-RBSFLKMASA-N 2 2 327.469 1.695 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862473063 596333833 /nfs/dbraw/zinc/33/38/33/596333833.db2.gz CJTYVKYEHYOXBB-RBSFLKMASA-N 2 2 327.469 1.695 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000870974652 596423384 /nfs/dbraw/zinc/42/33/84/596423384.db2.gz MOUOJNLHBRZEGS-RANZSIQMSA-N 2 2 337.508 1.770 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CCCCC[NH3+])C2)c1 ZINC000870977672 596424591 /nfs/dbraw/zinc/42/45/91/596424591.db2.gz JRLJYFUMRHUTKE-GOSISDBHSA-N 2 2 333.476 1.831 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CCCCC[NH3+])C2)c1 ZINC000870977672 596424594 /nfs/dbraw/zinc/42/45/94/596424594.db2.gz JRLJYFUMRHUTKE-GOSISDBHSA-N 2 2 333.476 1.831 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+](CC(F)F)C2)[C@H](C)CO1 ZINC000869245190 596460480 /nfs/dbraw/zinc/46/04/80/596460480.db2.gz YSJMACCWHOOZFR-MCIONIFRSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+](CC(F)F)C2)[C@H](C)CO1 ZINC000869245190 596460483 /nfs/dbraw/zinc/46/04/83/596460483.db2.gz YSJMACCWHOOZFR-MCIONIFRSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)[C@H](C)CO1 ZINC000869245190 596460487 /nfs/dbraw/zinc/46/04/87/596460487.db2.gz YSJMACCWHOOZFR-MCIONIFRSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)[C@H](C)CO1 ZINC000869245190 596460489 /nfs/dbraw/zinc/46/04/89/596460489.db2.gz YSJMACCWHOOZFR-MCIONIFRSA-N 2 2 333.423 1.189 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000869280416 596472358 /nfs/dbraw/zinc/47/23/58/596472358.db2.gz BENUMKMJHCMZCW-UHFFFAOYSA-N 2 2 346.406 1.339 20 0 EDADLP CC(C)NC(=O)C[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865412547 596566692 /nfs/dbraw/zinc/56/66/92/596566692.db2.gz PHTSFLNJPQXZCR-UHFFFAOYSA-N 2 2 330.354 1.747 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865425510 596571117 /nfs/dbraw/zinc/57/11/17/596571117.db2.gz NCWNMBMNASCDIK-JKSUJKDBSA-N 2 2 332.452 1.858 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000865434235 596573073 /nfs/dbraw/zinc/57/30/73/596573073.db2.gz BJUIQGXNKSKDCG-UHFFFAOYSA-N 2 2 349.328 1.588 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000867857939 596588295 /nfs/dbraw/zinc/58/82/95/596588295.db2.gz PPUGBQGSPJFNSR-RDBSUJKOSA-N 2 2 333.398 1.608 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000867857939 596588296 /nfs/dbraw/zinc/58/82/96/596588296.db2.gz PPUGBQGSPJFNSR-RDBSUJKOSA-N 2 2 333.398 1.608 20 0 EDADLP CN(CC[NH+]1CCOCC1)c1cc(NCc2ccccc2)[nH+]cn1 ZINC000865503875 596592886 /nfs/dbraw/zinc/59/28/86/596592886.db2.gz YNEMTYRSSPYYDI-UHFFFAOYSA-N 2 2 327.432 1.857 20 0 EDADLP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000863540981 596613100 /nfs/dbraw/zinc/61/31/00/596613100.db2.gz IJLDCXVJLTXECY-SJLPKXTDSA-N 2 2 333.476 1.373 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000863549850 596614419 /nfs/dbraw/zinc/61/44/19/596614419.db2.gz SFGRCQSSOXMFCF-LSDHHAIUSA-N 2 2 348.472 1.778 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CC3(C[NH3+])CC3)C2)cc1 ZINC000867998479 596648403 /nfs/dbraw/zinc/64/84/03/596648403.db2.gz WYDXJJZUAAEGKE-QGZVFWFLSA-N 2 2 331.460 1.441 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CC3(C[NH3+])CC3)C2)cc1 ZINC000867998479 596648408 /nfs/dbraw/zinc/64/84/08/596648408.db2.gz WYDXJJZUAAEGKE-QGZVFWFLSA-N 2 2 331.460 1.441 20 0 EDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H](O)[C@H](C)O)c[nH+]c12 ZINC000865739949 596665765 /nfs/dbraw/zinc/66/57/65/596665765.db2.gz YAHXPLNFYFELLH-CABZTGNLSA-N 2 2 328.210 1.237 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1[nH+]ccn1CC(F)F)C2=O ZINC000871676302 596668566 /nfs/dbraw/zinc/66/85/66/596668566.db2.gz RNDKGJOMULAKOG-MEBBXXQBSA-N 2 2 341.362 1.088 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3scnc3C(F)F)C2)CC1 ZINC000865750506 596670161 /nfs/dbraw/zinc/67/01/61/596670161.db2.gz POVFTBFIFSTADX-SNVBAGLBSA-N 2 2 344.431 1.979 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3scnc3C(F)F)C2)CC1 ZINC000865750506 596670163 /nfs/dbraw/zinc/67/01/63/596670163.db2.gz POVFTBFIFSTADX-SNVBAGLBSA-N 2 2 344.431 1.979 20 0 EDADLP Cn1c[nH+]cc1CO[NH+]=C(N)[C@H]1CCC(=O)N(CC2CCCC2)C1 ZINC000871768398 596689985 /nfs/dbraw/zinc/68/99/85/596689985.db2.gz VMRMLVLQIKGLSI-AWEZNQCLSA-N 2 2 333.436 1.847 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccnn1C ZINC000865837253 596699711 /nfs/dbraw/zinc/69/97/11/596699711.db2.gz BQNOMKTZURRATJ-MRXNPFEDSA-N 2 2 344.459 1.982 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)c1cc(CC(=O)OC)cc[nH+]1 ZINC000865998143 596753579 /nfs/dbraw/zinc/75/35/79/596753579.db2.gz WQJXXJJWYJFMHI-UHFFFAOYSA-N 2 2 335.448 1.592 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000870123876 596760800 /nfs/dbraw/zinc/76/08/00/596760800.db2.gz SCHYPFIOMYSFAK-GNJLHFKMSA-N 2 2 343.471 1.780 20 0 EDADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H]1CCCOC1 ZINC000872071801 596801889 /nfs/dbraw/zinc/80/18/89/596801889.db2.gz XVZPBHXQJUJFJU-VGUREELVSA-N 2 2 337.508 1.865 20 0 EDADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H]1CCCOC1 ZINC000872071801 596801891 /nfs/dbraw/zinc/80/18/91/596801891.db2.gz XVZPBHXQJUJFJU-VGUREELVSA-N 2 2 337.508 1.865 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)nc12 ZINC000872147578 596811297 /nfs/dbraw/zinc/81/12/97/596811297.db2.gz JYWKNNRLSALFCS-YPMHNXCESA-N 2 2 340.349 1.572 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)nc12 ZINC000872147578 596811298 /nfs/dbraw/zinc/81/12/98/596811298.db2.gz JYWKNNRLSALFCS-YPMHNXCESA-N 2 2 340.349 1.572 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1C(F)(F)F ZINC000872148269 596811895 /nfs/dbraw/zinc/81/18/95/596811895.db2.gz IRCICYXUGBKCOY-SMDDNHRTSA-N 2 2 333.398 1.989 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C[C@H]1C(F)(F)F ZINC000872148269 596811897 /nfs/dbraw/zinc/81/18/97/596811897.db2.gz IRCICYXUGBKCOY-SMDDNHRTSA-N 2 2 333.398 1.989 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cn1 ZINC000872152475 596814062 /nfs/dbraw/zinc/81/40/62/596814062.db2.gz RULNLVVDKDOVSA-JOYOIKCWSA-N 2 2 329.326 1.644 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cn1 ZINC000872152475 596814065 /nfs/dbraw/zinc/81/40/65/596814065.db2.gz RULNLVVDKDOVSA-JOYOIKCWSA-N 2 2 329.326 1.644 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154310 596814859 /nfs/dbraw/zinc/81/48/59/596814859.db2.gz WCUZAPLISTZDBG-QFBILLFUSA-N 2 2 331.460 1.455 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154310 596814861 /nfs/dbraw/zinc/81/48/61/596814861.db2.gz WCUZAPLISTZDBG-QFBILLFUSA-N 2 2 331.460 1.455 20 0 EDADLP C[C@]1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)C[NH2+]CCO1 ZINC000872172735 596819791 /nfs/dbraw/zinc/81/97/91/596819791.db2.gz FRZGQBRDLKTFOL-QGZVFWFLSA-N 2 2 325.372 1.816 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866253815 596838462 /nfs/dbraw/zinc/83/84/62/596838462.db2.gz NGZDEZXHSNABST-OKZBNKHCSA-N 2 2 337.508 1.866 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866253815 596838465 /nfs/dbraw/zinc/83/84/65/596838465.db2.gz NGZDEZXHSNABST-OKZBNKHCSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866299688 596851083 /nfs/dbraw/zinc/85/10/83/596851083.db2.gz OENRVRIFLKCHTE-RHSMWYFYSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866299688 596851087 /nfs/dbraw/zinc/85/10/87/596851087.db2.gz OENRVRIFLKCHTE-RHSMWYFYSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(-n2cncn2)cc1 ZINC000866411599 596879560 /nfs/dbraw/zinc/87/95/60/596879560.db2.gz QOKDLWNLFXURQD-ZBFHGGJFSA-N 2 2 329.448 1.763 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccc(-n2cncn2)cc1 ZINC000866411599 596879563 /nfs/dbraw/zinc/87/95/63/596879563.db2.gz QOKDLWNLFXURQD-ZBFHGGJFSA-N 2 2 329.448 1.763 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872442982 596909587 /nfs/dbraw/zinc/90/95/87/596909587.db2.gz REURUZPKOYJJCO-OAHLLOKOSA-N 2 2 346.475 1.622 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000875649268 596933214 /nfs/dbraw/zinc/93/32/14/596933214.db2.gz HJCZEMGVRMKOPM-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000875649268 596933216 /nfs/dbraw/zinc/93/32/16/596933216.db2.gz HJCZEMGVRMKOPM-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1c2ccccc2C[NH+]1C)C(C)C ZINC000875766235 596978364 /nfs/dbraw/zinc/97/83/64/596978364.db2.gz LSDASWJFQVJRHF-KRWDZBQOSA-N 2 2 346.475 1.136 20 0 EDADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1c2ccccc2C[NH+]1C)C(C)C ZINC000875766235 596978367 /nfs/dbraw/zinc/97/83/67/596978367.db2.gz LSDASWJFQVJRHF-KRWDZBQOSA-N 2 2 346.475 1.136 20 0 EDADLP CC[NH+](CCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C)C(C)C ZINC000875766235 596978369 /nfs/dbraw/zinc/97/83/69/596978369.db2.gz LSDASWJFQVJRHF-KRWDZBQOSA-N 2 2 346.475 1.136 20 0 EDADLP CC[NH+](CCNC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)C(C)C ZINC000875766235 596978371 /nfs/dbraw/zinc/97/83/71/596978371.db2.gz LSDASWJFQVJRHF-KRWDZBQOSA-N 2 2 346.475 1.136 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CN2CC3(COC3)CC2=O)CC1 ZINC000872600895 596983977 /nfs/dbraw/zinc/98/39/77/596983977.db2.gz FTMPLEMRIIEFEC-UHFFFAOYSA-N 2 2 331.416 1.440 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CCC(C)([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000876108312 597093140 /nfs/dbraw/zinc/09/31/40/597093140.db2.gz QNEAAEZBHJXRQS-WMTDPASSSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CCC(C)([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000876108312 597093144 /nfs/dbraw/zinc/09/31/44/597093144.db2.gz QNEAAEZBHJXRQS-WMTDPASSSA-N 2 2 340.512 1.658 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000876206124 597136135 /nfs/dbraw/zinc/13/61/35/597136135.db2.gz QKDZODDYWAZNDS-AEFFLSMTSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000876206124 597136137 /nfs/dbraw/zinc/13/61/37/597136137.db2.gz QKDZODDYWAZNDS-AEFFLSMTSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876206124 597136138 /nfs/dbraw/zinc/13/61/38/597136138.db2.gz QKDZODDYWAZNDS-AEFFLSMTSA-N 2 2 346.475 1.583 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876206124 597136141 /nfs/dbraw/zinc/13/61/41/597136141.db2.gz QKDZODDYWAZNDS-AEFFLSMTSA-N 2 2 346.475 1.583 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000876207173 597137290 /nfs/dbraw/zinc/13/72/90/597137290.db2.gz BPYVGUQFNFEPAL-QGZVFWFLSA-N 2 2 334.464 1.393 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000876207173 597137291 /nfs/dbraw/zinc/13/72/91/597137291.db2.gz BPYVGUQFNFEPAL-QGZVFWFLSA-N 2 2 334.464 1.393 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000874702792 597146818 /nfs/dbraw/zinc/14/68/18/597146818.db2.gz KDQXUBYOJVSAJQ-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000874702792 597146820 /nfs/dbraw/zinc/14/68/20/597146820.db2.gz KDQXUBYOJVSAJQ-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000874702792 597146821 /nfs/dbraw/zinc/14/68/21/597146821.db2.gz KDQXUBYOJVSAJQ-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000874702792 597146824 /nfs/dbraw/zinc/14/68/24/597146824.db2.gz KDQXUBYOJVSAJQ-RBUKOAKNSA-N 2 2 345.487 1.878 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873082805 597184993 /nfs/dbraw/zinc/18/49/93/597184993.db2.gz JHALQDJEWHSGSJ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000873082805 597184995 /nfs/dbraw/zinc/18/49/95/597184995.db2.gz JHALQDJEWHSGSJ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-n3cncn3)c(F)c2)C[C@H]1C(F)(F)F ZINC000873227059 597234070 /nfs/dbraw/zinc/23/40/70/597234070.db2.gz GDJWBLICMZKJCO-NWDGAFQWSA-N 2 2 343.328 1.975 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)C[C@H]1C(F)(F)F ZINC000873227059 597234071 /nfs/dbraw/zinc/23/40/71/597234071.db2.gz GDJWBLICMZKJCO-NWDGAFQWSA-N 2 2 343.328 1.975 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876623723 597265233 /nfs/dbraw/zinc/26/52/33/597265233.db2.gz ROYXAMCIYAYZIF-UHFFFAOYSA-N 2 2 325.478 1.640 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876623723 597265234 /nfs/dbraw/zinc/26/52/34/597265234.db2.gz ROYXAMCIYAYZIF-UHFFFAOYSA-N 2 2 325.478 1.640 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCO1 ZINC000875193775 597322776 /nfs/dbraw/zinc/32/27/76/597322776.db2.gz FULLJTZFPAKCOS-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCO1 ZINC000875193775 597322780 /nfs/dbraw/zinc/32/27/80/597322780.db2.gz FULLJTZFPAKCOS-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000875240697 597348110 /nfs/dbraw/zinc/34/81/10/597348110.db2.gz FIZUIDSHRPEWKO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000875240697 597348111 /nfs/dbraw/zinc/34/81/11/597348111.db2.gz FIZUIDSHRPEWKO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000875240697 597348113 /nfs/dbraw/zinc/34/81/13/597348113.db2.gz FIZUIDSHRPEWKO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000875240697 597348115 /nfs/dbraw/zinc/34/81/15/597348115.db2.gz FIZUIDSHRPEWKO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1c(F)cccc1F ZINC000877340875 597495508 /nfs/dbraw/zinc/49/55/08/597495508.db2.gz OCQDCUZIOPNJLR-SUMWQHHRSA-N 2 2 331.366 1.795 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000877432056 597514642 /nfs/dbraw/zinc/51/46/42/597514642.db2.gz AKXLFWFOMZBSKK-ROUUACIJSA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000877432056 597514643 /nfs/dbraw/zinc/51/46/43/597514643.db2.gz AKXLFWFOMZBSKK-ROUUACIJSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)n1C ZINC000877802619 597559087 /nfs/dbraw/zinc/55/90/87/597559087.db2.gz RJUHBANVCRCCNP-VYDXJSESSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)n1C ZINC000877802619 597559088 /nfs/dbraw/zinc/55/90/88/597559088.db2.gz RJUHBANVCRCCNP-VYDXJSESSA-N 2 2 334.464 1.360 20 0 EDADLP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)CC1(O)CCCC1 ZINC000878551421 597632127 /nfs/dbraw/zinc/63/21/27/597632127.db2.gz CQDWKHHUZNMDNL-IRXDYDNUSA-N 2 2 326.481 1.229 20 0 EDADLP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)CC1(O)CCCC1 ZINC000878551421 597632129 /nfs/dbraw/zinc/63/21/29/597632129.db2.gz CQDWKHHUZNMDNL-IRXDYDNUSA-N 2 2 326.481 1.229 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878667940 597673016 /nfs/dbraw/zinc/67/30/16/597673016.db2.gz GEQZOJJICIZISU-INIZCTEOSA-N 2 2 326.481 1.397 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878670249 597674327 /nfs/dbraw/zinc/67/43/27/597674327.db2.gz JEKNSIOCDXCGOF-QGZVFWFLSA-N 2 2 340.508 1.645 20 0 EDADLP CON1CC[NH+](CC(C[NH+]2CCN(OC)CC2)C2CCCC2)CC1 ZINC000878686375 597678492 /nfs/dbraw/zinc/67/84/92/597678492.db2.gz DMPLJGKJLGKSKM-UHFFFAOYSA-N 2 2 340.512 1.151 20 0 EDADLP CCC(O)(CC)C(C)(C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000879696903 597692438 /nfs/dbraw/zinc/69/24/38/597692438.db2.gz PSSHGOYEQQLSDW-UHFFFAOYSA-N 2 2 343.512 1.133 20 0 EDADLP c1nn2ccccc2c1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371797 597726203 /nfs/dbraw/zinc/72/62/03/597726203.db2.gz AJXTWXCALYYCLJ-SFHVURJKSA-N 2 2 343.475 1.221 20 0 EDADLP C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000881877465 597771060 /nfs/dbraw/zinc/77/10/60/597771060.db2.gz UVRPDGOWYDIHFP-OAHLLOKOSA-N 2 2 334.445 1.206 20 0 EDADLP NC(=O)[C@H](F)C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000879042407 597797355 /nfs/dbraw/zinc/79/73/55/597797355.db2.gz ZDIXCMSILYPEJZ-GOSISDBHSA-N 2 2 349.450 1.554 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)CCN1c1cc[nH+]cc1 ZINC000880260009 597885791 /nfs/dbraw/zinc/88/57/91/597885791.db2.gz MBQMEWZERWNKAL-MAUKXSAKSA-N 2 2 344.459 1.230 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)CCN1c1cc[nH+]cc1 ZINC000880260009 597885793 /nfs/dbraw/zinc/88/57/93/597885793.db2.gz MBQMEWZERWNKAL-MAUKXSAKSA-N 2 2 344.459 1.230 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000914081233 695078693 /nfs/dbraw/zinc/07/86/93/695078693.db2.gz SBZZQJZWVMFREF-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC000992747598 695268983 /nfs/dbraw/zinc/26/89/83/695268983.db2.gz LARSECURVXFHDT-ZNMIVQPWSA-N 2 2 328.416 1.157 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnon3)[C@H]2C1 ZINC000992798565 695350661 /nfs/dbraw/zinc/35/06/61/695350661.db2.gz YNFKFPHSXXDNDO-BPUTZDHNSA-N 2 2 344.419 1.073 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1 ZINC000939857762 699996909 /nfs/dbraw/zinc/99/69/09/699996909.db2.gz VLCUAOCASRRDKR-RHSMWYFYSA-N 2 2 328.416 1.528 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031050137 695383484 /nfs/dbraw/zinc/38/34/84/695383484.db2.gz CBFUSQBKELKDDS-IAGOWNOFSA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031050137 695383485 /nfs/dbraw/zinc/38/34/85/695383485.db2.gz CBFUSQBKELKDDS-IAGOWNOFSA-N 2 2 337.508 1.865 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnsn3)[C@H]2C1 ZINC000992830936 695390541 /nfs/dbraw/zinc/39/05/41/695390541.db2.gz HPCNQYRUJVRTSK-CQDKDKBSSA-N 2 2 346.460 1.221 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992840792 695398508 /nfs/dbraw/zinc/39/85/08/695398508.db2.gz XBKIKSOXEILCNM-FVQBIDKESA-N 2 2 343.431 1.666 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC001060476323 695404076 /nfs/dbraw/zinc/40/40/76/695404076.db2.gz ASSMATUUMZHQCU-DHIJGFHKSA-N 2 2 343.475 1.150 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC001060476323 695404078 /nfs/dbraw/zinc/40/40/78/695404078.db2.gz ASSMATUUMZHQCU-DHIJGFHKSA-N 2 2 343.475 1.150 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ncccn3)[C@H]2C1 ZINC000992865163 695412693 /nfs/dbraw/zinc/41/26/93/695412693.db2.gz UZPPWVSUEJWAOB-KKUMJFAQSA-N 2 2 340.431 1.159 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992866694 695413204 /nfs/dbraw/zinc/41/32/04/695413204.db2.gz WXMPDGTXXMLGGW-BFHYXJOUSA-N 2 2 344.419 1.061 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1noc2c1CCCC2 ZINC000939855349 699993363 /nfs/dbraw/zinc/99/33/63/699993363.db2.gz DVZPGVNZGWIIDK-CJNGLKHVSA-N 2 2 343.431 1.387 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992879706 695424049 /nfs/dbraw/zinc/42/40/49/695424049.db2.gz VHCJVZIHWBLFCB-NUEKZKHPSA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccns3)[C@@H]2C1 ZINC000992908950 695445401 /nfs/dbraw/zinc/44/54/01/695445401.db2.gz BEJNEUZYXJQKTJ-NUEKZKHPSA-N 2 2 345.472 1.757 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992920188 695454365 /nfs/dbraw/zinc/45/43/65/695454365.db2.gz BWITYHJULDWQQY-DJIMGWMZSA-N 2 2 343.431 1.596 20 0 EDADLP O=C(NC1C[NH+](CC2CC(F)(F)C2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001031161307 695628137 /nfs/dbraw/zinc/62/81/37/695628137.db2.gz LEGCADPKASLTJK-UHFFFAOYSA-N 2 2 347.369 1.727 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2C[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC001031254026 696025470 /nfs/dbraw/zinc/02/54/70/696025470.db2.gz NHNYGORUEHLJNR-IEBWSBKVSA-N 2 2 345.487 1.600 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031267584 696082236 /nfs/dbraw/zinc/08/22/36/696082236.db2.gz MYWFNOFLKJGWNL-HNNXBMFYSA-N 2 2 332.448 1.521 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cncs2)[C@@H]1C ZINC000993612573 696258873 /nfs/dbraw/zinc/25/88/73/696258873.db2.gz IXIGQSPACGOSCH-UKRRQHHQSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncs2)[C@@H]1C ZINC000993612573 696258875 /nfs/dbraw/zinc/25/88/75/696258875.db2.gz IXIGQSPACGOSCH-UKRRQHHQSA-N 2 2 333.461 1.817 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCC[N@H+]1CCCO ZINC000994164071 696551584 /nfs/dbraw/zinc/55/15/84/696551584.db2.gz WIAUMKHZOQWBAU-GOEBONIOSA-N 2 2 343.431 1.232 20 0 EDADLP COC(=O)Cc1ccccc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000153781648 696602310 /nfs/dbraw/zinc/60/23/10/696602310.db2.gz BICWFCKOGMYIRI-UHFFFAOYSA-N 2 2 334.460 1.681 20 0 EDADLP COC(=O)Cc1ccccc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000153781648 696602311 /nfs/dbraw/zinc/60/23/11/696602311.db2.gz BICWFCKOGMYIRI-UHFFFAOYSA-N 2 2 334.460 1.681 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCc2ccnn2C)[C@H]1C ZINC000994298667 696734997 /nfs/dbraw/zinc/73/49/97/696734997.db2.gz OZSQEUAMGKKXPX-HOCLYGCPSA-N 2 2 344.463 1.206 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccnn2C)[C@H]1C ZINC000994298667 696734998 /nfs/dbraw/zinc/73/49/98/696734998.db2.gz OZSQEUAMGKKXPX-HOCLYGCPSA-N 2 2 344.463 1.206 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCC1CCOCC1 ZINC000994513309 696964436 /nfs/dbraw/zinc/96/44/36/696964436.db2.gz ZWVJSAVLTBHXEO-WBVHZDCISA-N 2 2 334.464 1.669 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCC1CCOCC1 ZINC000994513309 696964437 /nfs/dbraw/zinc/96/44/37/696964437.db2.gz ZWVJSAVLTBHXEO-WBVHZDCISA-N 2 2 334.464 1.669 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCc3cccc(C)c3)C2)C1 ZINC001031419298 697073162 /nfs/dbraw/zinc/07/31/62/697073162.db2.gz VZWSAFRUEGFSAD-IBGZPJMESA-N 2 2 345.487 1.449 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCc3cccc(C)c3)C2)C1 ZINC001031419298 697073164 /nfs/dbraw/zinc/07/31/64/697073164.db2.gz VZWSAFRUEGFSAD-IBGZPJMESA-N 2 2 345.487 1.449 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)[C@@H](C)C1 ZINC000929998065 697081748 /nfs/dbraw/zinc/08/17/48/697081748.db2.gz BHPKJMRZWUEBHC-XHSDSOJGSA-N 2 2 325.497 1.674 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)[C@@H](C)C1 ZINC000929998065 697081751 /nfs/dbraw/zinc/08/17/51/697081751.db2.gz BHPKJMRZWUEBHC-XHSDSOJGSA-N 2 2 325.497 1.674 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)[C@@H](C)C1 ZINC000929998065 697081754 /nfs/dbraw/zinc/08/17/54/697081754.db2.gz BHPKJMRZWUEBHC-XHSDSOJGSA-N 2 2 325.497 1.674 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2C[C@@H](C)OC(C)(C)C2)[C@@H](C)C1 ZINC000929998065 697081757 /nfs/dbraw/zinc/08/17/57/697081757.db2.gz BHPKJMRZWUEBHC-XHSDSOJGSA-N 2 2 325.497 1.674 20 0 EDADLP COC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000918905937 697222510 /nfs/dbraw/zinc/22/25/10/697222510.db2.gz JGSFYWKLUNWTFF-HZPDHXFCSA-N 2 2 340.512 1.373 20 0 EDADLP COC[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000918905937 697222511 /nfs/dbraw/zinc/22/25/11/697222511.db2.gz JGSFYWKLUNWTFF-HZPDHXFCSA-N 2 2 340.512 1.373 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675790 697488090 /nfs/dbraw/zinc/48/80/90/697488090.db2.gz SFFBVCUFPHQFJN-KRWDZBQOSA-N 2 2 332.423 1.111 20 0 EDADLP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000921231685 697535145 /nfs/dbraw/zinc/53/51/45/697535145.db2.gz BDJDHPXRIORZFU-MHORFTMASA-N 2 2 325.497 1.017 20 0 EDADLP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000921231685 697535146 /nfs/dbraw/zinc/53/51/46/697535146.db2.gz BDJDHPXRIORZFU-MHORFTMASA-N 2 2 325.497 1.017 20 0 EDADLP CC1([NH2+]C[C@@H]2CCCOC2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083692 700178063 /nfs/dbraw/zinc/17/80/63/700178063.db2.gz SNOUGVYHRHHNAH-HNNXBMFYSA-N 2 2 334.464 1.740 20 0 EDADLP C[C@@H]1C[N@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178794 697876095 /nfs/dbraw/zinc/87/60/95/697876095.db2.gz VOBFSENGONWQPP-RHSMWYFYSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@@H]1C[N@@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178794 697876097 /nfs/dbraw/zinc/87/60/97/697876097.db2.gz VOBFSENGONWQPP-RHSMWYFYSA-N 2 2 334.464 1.596 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118487 698989813 /nfs/dbraw/zinc/98/98/13/698989813.db2.gz INTSFWFXYMVJSX-UHFFFAOYSA-N 2 2 348.516 1.813 20 0 EDADLP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031775572 699159165 /nfs/dbraw/zinc/15/91/65/699159165.db2.gz HJGPGSDYVNFLNL-MRXNPFEDSA-N 2 2 339.443 1.397 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939210447 699358061 /nfs/dbraw/zinc/35/80/61/699358061.db2.gz OLLJOOXKIKCGDO-LRDDRELGSA-N 2 2 346.406 1.737 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939212027 699360823 /nfs/dbraw/zinc/36/08/23/699360823.db2.gz WNCUXSWYNCKSLJ-ABAIWWIYSA-N 2 2 333.823 1.637 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939213408 699362702 /nfs/dbraw/zinc/36/27/02/699362702.db2.gz DAZPKBBMVBUAML-ZUZCIYMTSA-N 2 2 333.461 1.662 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cc1 ZINC000939217030 699389632 /nfs/dbraw/zinc/38/96/32/699389632.db2.gz ZOHZJXVLTMHJNP-GUYCJALGSA-N 2 2 328.416 1.598 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C)no1 ZINC000939237030 699406409 /nfs/dbraw/zinc/40/64/09/699406409.db2.gz UDEPAEGAFOYQNL-BBRMVZONSA-N 2 2 345.447 1.940 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC000995162996 701593931 /nfs/dbraw/zinc/59/39/31/701593931.db2.gz UVOBCJRFCYGWQM-STQMWFEESA-N 2 2 333.461 1.494 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163108 701593976 /nfs/dbraw/zinc/59/39/76/701593976.db2.gz AQAFBZSOXAFGNS-DOTOQJQBSA-N 2 2 341.459 1.741 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939400195 699549364 /nfs/dbraw/zinc/54/93/64/699549364.db2.gz KDTPMFSNCRKDKF-DOMZBBRYSA-N 2 2 346.406 1.737 20 0 EDADLP Cc1ccc(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1 ZINC000939412441 699565800 /nfs/dbraw/zinc/56/58/00/699565800.db2.gz HCPRBQWATNQPSM-WBVHZDCISA-N 2 2 326.444 1.940 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCN(C2C[NH+](CCC(C)(C)C)C2)CC1 ZINC000941639312 701602963 /nfs/dbraw/zinc/60/29/63/701602963.db2.gz PMTVTTYYPLFHPR-UHFFFAOYSA-N 2 2 347.507 1.227 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939533767 699671620 /nfs/dbraw/zinc/67/16/20/699671620.db2.gz FCUWWIRJRLJPEZ-MLGOLLRUSA-N 2 2 331.395 1.133 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1cscn1 ZINC000939549728 699675034 /nfs/dbraw/zinc/67/50/34/699675034.db2.gz CCBGXRGKXFILHY-WFASDCNBSA-N 2 2 345.472 1.854 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)n1 ZINC000939539285 699680202 /nfs/dbraw/zinc/68/02/02/699680202.db2.gz BGLLAZHPAGXADO-ZFWWWQNUSA-N 2 2 344.463 1.540 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000939539318 699680241 /nfs/dbraw/zinc/68/02/41/699680241.db2.gz BUIFUNOUNBPMSV-GDBMZVCRSA-N 2 2 348.491 1.941 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)s1 ZINC000939640943 699770345 /nfs/dbraw/zinc/77/03/45/699770345.db2.gz BUKPLUIBPHSQOO-BLLLJJGKSA-N 2 2 347.488 1.754 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939642647 699772082 /nfs/dbraw/zinc/77/20/82/699772082.db2.gz LVUHLKAYEHVIEK-PBHICJAKSA-N 2 2 327.432 1.384 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1)c1cccc2[nH+]ccn21 ZINC001031844509 699873962 /nfs/dbraw/zinc/87/39/62/699873962.db2.gz QUDMGNYJHXEVBW-DNVCBOLYSA-N 2 2 340.427 1.423 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940214799 700354779 /nfs/dbraw/zinc/35/47/79/700354779.db2.gz XCMSNDODAISARM-UHFFFAOYSA-N 2 2 334.449 1.214 20 0 EDADLP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243525 700405144 /nfs/dbraw/zinc/40/51/44/700405144.db2.gz UOGPKGWWSUWGPB-UHFFFAOYSA-N 2 2 348.476 1.604 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)sn1 ZINC000940353224 700536811 /nfs/dbraw/zinc/53/68/11/700536811.db2.gz JLAZOCIUBMSBLK-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP C[C@H](CC(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1)n1cc[nH+]c1 ZINC000940357883 700539374 /nfs/dbraw/zinc/53/93/74/700539374.db2.gz NNUPAYKYOUHOEC-OAHLLOKOSA-N 2 2 344.463 1.739 20 0 EDADLP Cc1nc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cs1 ZINC000940398192 700595072 /nfs/dbraw/zinc/59/50/72/700595072.db2.gz YFBQZQDHYWURIA-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1csc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)n1 ZINC000995168478 701661963 /nfs/dbraw/zinc/66/19/63/701661963.db2.gz MMFVPAHNAOHFPU-KGLIPLIRSA-N 2 2 347.488 1.802 20 0 EDADLP CC1(C)C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940746000 700872212 /nfs/dbraw/zinc/87/22/12/700872212.db2.gz XUBSLBXXGDJCKH-HZPDHXFCSA-N 2 2 347.463 1.128 20 0 EDADLP CC1(C)C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940746000 700872214 /nfs/dbraw/zinc/87/22/14/700872214.db2.gz XUBSLBXXGDJCKH-HZPDHXFCSA-N 2 2 347.463 1.128 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000995107897 700972448 /nfs/dbraw/zinc/97/24/48/700972448.db2.gz SLMWXHMEIJKSLC-ZIAGYGMSSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1ncsc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995114843 701036548 /nfs/dbraw/zinc/03/65/48/701036548.db2.gz JJTYDQTVUTZKIV-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cnc(C)nc3)C2)C1 ZINC001031919271 701043062 /nfs/dbraw/zinc/04/30/62/701043062.db2.gz QJKAIAYJDPYQON-SFHVURJKSA-N 2 2 345.491 1.455 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cnc(C)nc3)C2)C1 ZINC001031919271 701043063 /nfs/dbraw/zinc/04/30/63/701043063.db2.gz QJKAIAYJDPYQON-SFHVURJKSA-N 2 2 345.491 1.455 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995118743 701095641 /nfs/dbraw/zinc/09/56/41/701095641.db2.gz UKWJNIUNADXXLB-KBPBESRZSA-N 2 2 345.451 1.199 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809856 701202107 /nfs/dbraw/zinc/20/21/07/701202107.db2.gz VPUIATIATHJOOY-DGCLKSJQSA-N 2 2 334.449 1.070 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809856 701202110 /nfs/dbraw/zinc/20/21/10/701202110.db2.gz VPUIATIATHJOOY-DGCLKSJQSA-N 2 2 334.449 1.070 20 0 EDADLP CC1(C)C[N@H+](CCC[C@H]2CCOC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129425 701206280 /nfs/dbraw/zinc/20/62/80/701206280.db2.gz GABHALCKFMCTBG-JKSUJKDBSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@@H+](CCC[C@H]2CCOC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129425 701206284 /nfs/dbraw/zinc/20/62/84/701206284.db2.gz GABHALCKFMCTBG-JKSUJKDBSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@H](c1ncccn1)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215652 701401811 /nfs/dbraw/zinc/40/18/11/701401811.db2.gz ZLGVKKHVIQFZGR-CVEARBPZSA-N 2 2 345.491 1.850 20 0 EDADLP C[C@H](c1ncccn1)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215652 701401813 /nfs/dbraw/zinc/40/18/13/701401813.db2.gz ZLGVKKHVIQFZGR-CVEARBPZSA-N 2 2 345.491 1.850 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)CC1(C)C ZINC000941221440 701412311 /nfs/dbraw/zinc/41/23/11/701412311.db2.gz UZQFACNFVYJCHN-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)CC1(C)C ZINC000941221440 701412312 /nfs/dbraw/zinc/41/23/12/701412312.db2.gz UZQFACNFVYJCHN-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP CC1(C)C[N@H+](CCC[C@H]2CCOC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247431 701424280 /nfs/dbraw/zinc/42/42/80/701424280.db2.gz KXYPWUVLMLXRLW-IRXDYDNUSA-N 2 2 348.491 1.917 20 0 EDADLP CC1(C)C[N@@H+](CCC[C@H]2CCOC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247431 701424281 /nfs/dbraw/zinc/42/42/81/701424281.db2.gz KXYPWUVLMLXRLW-IRXDYDNUSA-N 2 2 348.491 1.917 20 0 EDADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128400 701785208 /nfs/dbraw/zinc/78/52/08/701785208.db2.gz CMEMCPKUEQGPAS-HOTGVXAUSA-N 2 2 333.480 1.089 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995743215 701944957 /nfs/dbraw/zinc/94/49/57/701944957.db2.gz CRTWJINDHAGFBB-CQSZACIVSA-N 2 2 331.420 1.666 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)on1 ZINC000995749851 701999391 /nfs/dbraw/zinc/99/93/91/701999391.db2.gz XCJGXACIRNHDTE-CYBMUJFWSA-N 2 2 347.419 1.366 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC000995182643 702086153 /nfs/dbraw/zinc/08/61/53/702086153.db2.gz JMHPESMBLBRLAY-GJZGRUSLSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)o1 ZINC000944099721 702269939 /nfs/dbraw/zinc/26/99/39/702269939.db2.gz SABWUDPNVMXIHA-LRDDRELGSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)o1 ZINC000944099721 702269946 /nfs/dbraw/zinc/26/99/46/702269946.db2.gz SABWUDPNVMXIHA-LRDDRELGSA-N 2 2 331.420 1.286 20 0 EDADLP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C(C)(C)C1)[NH+](C)C ZINC000995945236 702291859 /nfs/dbraw/zinc/29/18/59/702291859.db2.gz FBNFKYRUDHBDRL-KGLIPLIRSA-N 2 2 348.495 1.349 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nncs2)C1 ZINC000995209510 702675496 /nfs/dbraw/zinc/67/54/96/702675496.db2.gz KGPVOXOAKBTEOJ-QWHCGFSZSA-N 2 2 334.449 1.118 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000996300239 702691557 /nfs/dbraw/zinc/69/15/57/702691557.db2.gz KSAODZFITQVZLW-QWHCGFSZSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1 ZINC000996300239 702691559 /nfs/dbraw/zinc/69/15/59/702691559.db2.gz KSAODZFITQVZLW-QWHCGFSZSA-N 2 2 337.493 1.349 20 0 EDADLP CCn1cc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000996353511 702731382 /nfs/dbraw/zinc/73/13/82/702731382.db2.gz AKULIMFAZZMSML-INIZCTEOSA-N 2 2 344.463 1.238 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)sn1 ZINC000996353681 702731832 /nfs/dbraw/zinc/73/18/32/702731832.db2.gz CCGZYDNBZDJRKH-ZDUSSCGKSA-N 2 2 349.460 1.444 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996385886 702749801 /nfs/dbraw/zinc/74/98/01/702749801.db2.gz LXPLKXUPUDUAEJ-OAHLLOKOSA-N 2 2 349.479 1.437 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942290154 702796529 /nfs/dbraw/zinc/79/65/29/702796529.db2.gz ZSHNAIMMCGMXJU-SUMWQHHRSA-N 2 2 339.399 1.963 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942290154 702796532 /nfs/dbraw/zinc/79/65/32/702796532.db2.gz ZSHNAIMMCGMXJU-SUMWQHHRSA-N 2 2 339.399 1.963 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000996454903 702799501 /nfs/dbraw/zinc/79/95/01/702799501.db2.gz DJEZDSLVPSXWDZ-MRXNPFEDSA-N 2 2 342.443 1.471 20 0 EDADLP CC(C)(C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996512130 702831470 /nfs/dbraw/zinc/83/14/70/702831470.db2.gz AWLJSHYASHNSJH-INIZCTEOSA-N 2 2 348.491 1.941 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996515913 702851549 /nfs/dbraw/zinc/85/15/49/702851549.db2.gz WCFADBYLJDAAQJ-INIZCTEOSA-N 2 2 342.447 1.088 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC2(C)C)on1 ZINC000996563868 702885071 /nfs/dbraw/zinc/88/50/71/702885071.db2.gz PWXWGJFMVIYKDG-AWEZNQCLSA-N 2 2 347.419 1.284 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1 ZINC000996576277 702889541 /nfs/dbraw/zinc/88/95/41/702889541.db2.gz WSOAQJFTUPKAFE-GDBMZVCRSA-N 2 2 334.464 1.216 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000996712794 703007410 /nfs/dbraw/zinc/00/74/10/703007410.db2.gz GXIBXRSREVSQGG-HNNXBMFYSA-N 2 2 331.395 1.444 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)s1 ZINC000996717499 703010997 /nfs/dbraw/zinc/01/09/97/703010997.db2.gz UKTNAQMDCWDZTE-OAHLLOKOSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)s1 ZINC000942518369 703013743 /nfs/dbraw/zinc/01/37/43/703013743.db2.gz QQVWDQNPQVSPCT-IUODEOHRSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)s1 ZINC000942518369 703013747 /nfs/dbraw/zinc/01/37/47/703013747.db2.gz QQVWDQNPQVSPCT-IUODEOHRSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]Cc3cnns3)CC2)c[nH+]1 ZINC000996722563 703017858 /nfs/dbraw/zinc/01/78/58/703017858.db2.gz PYLMPJKQAIHMRZ-UHFFFAOYSA-N 2 2 348.476 1.559 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC000942518619 703020127 /nfs/dbraw/zinc/02/01/27/703020127.db2.gz UOXUIMTUIKONRA-WBMJQRKESA-N 2 2 347.488 1.983 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC000942518619 703020129 /nfs/dbraw/zinc/02/01/29/703020129.db2.gz UOXUIMTUIKONRA-WBMJQRKESA-N 2 2 347.488 1.983 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996726041 703020830 /nfs/dbraw/zinc/02/08/30/703020830.db2.gz BMKKRDLZVSSMQB-UHFFFAOYSA-N 2 2 336.399 1.747 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000996727598 703022306 /nfs/dbraw/zinc/02/23/06/703022306.db2.gz HKHUZGYZKBTGFJ-OAHLLOKOSA-N 2 2 349.479 1.587 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000996727598 703022309 /nfs/dbraw/zinc/02/23/09/703022309.db2.gz HKHUZGYZKBTGFJ-OAHLLOKOSA-N 2 2 349.479 1.587 20 0 EDADLP Cn1cc(C[NH2+]C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)nn1 ZINC000996732795 703029551 /nfs/dbraw/zinc/02/95/51/703029551.db2.gz ZGZPRYVKPJIZCL-UHFFFAOYSA-N 2 2 339.403 1.086 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccsc2)C1 ZINC001032332035 703114352 /nfs/dbraw/zinc/11/43/52/703114352.db2.gz PNXYWPNWPKZOHX-ULQDDVLXSA-N 2 2 349.500 1.296 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccsc2)C1 ZINC001032332035 703114354 /nfs/dbraw/zinc/11/43/54/703114354.db2.gz PNXYWPNWPKZOHX-ULQDDVLXSA-N 2 2 349.500 1.296 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCc2ccsc2)C1 ZINC001032332035 703114356 /nfs/dbraw/zinc/11/43/56/703114356.db2.gz PNXYWPNWPKZOHX-ULQDDVLXSA-N 2 2 349.500 1.296 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCc2ccsc2)C1 ZINC001032332035 703114357 /nfs/dbraw/zinc/11/43/57/703114357.db2.gz PNXYWPNWPKZOHX-ULQDDVLXSA-N 2 2 349.500 1.296 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000996832816 703115636 /nfs/dbraw/zinc/11/56/36/703115636.db2.gz GKLIIVBSLSQBCO-KRWDZBQOSA-N 2 2 348.491 1.893 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1)c1csnn1 ZINC000996861461 703144746 /nfs/dbraw/zinc/14/47/46/703144746.db2.gz WTZQBNLUSJBQLJ-GFCCVEGCSA-N 2 2 334.449 1.467 20 0 EDADLP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)cn1 ZINC000996995538 703252442 /nfs/dbraw/zinc/25/24/42/703252442.db2.gz KTPSDFDXNLPQKQ-OAHLLOKOSA-N 2 2 342.447 1.344 20 0 EDADLP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996997407 703254498 /nfs/dbraw/zinc/25/44/98/703254498.db2.gz WPFPDMHDGZLTOB-HNNXBMFYSA-N 2 2 342.447 1.344 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000997027268 703278951 /nfs/dbraw/zinc/27/89/51/703278951.db2.gz NBUPBAAETUSVNV-HUUCEWRRSA-N 2 2 345.472 1.761 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997019989 703282199 /nfs/dbraw/zinc/28/21/99/703282199.db2.gz CIUAINNFBJXTFB-ZIAGYGMSSA-N 2 2 346.460 1.156 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000997041756 703292243 /nfs/dbraw/zinc/29/22/43/703292243.db2.gz NFXMDEZKWXAKGK-NSHDSACASA-N 2 2 332.408 1.239 20 0 EDADLP C[NH+]1CCN(CCCC[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921526430 703360481 /nfs/dbraw/zinc/36/04/81/703360481.db2.gz GTXGPQPUQFDLTB-UHFFFAOYSA-N 2 2 330.274 1.289 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000997119250 703375691 /nfs/dbraw/zinc/37/56/91/703375691.db2.gz MWEJSZQYDHYGJW-CYBMUJFWSA-N 2 2 328.420 1.392 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032400272 703414345 /nfs/dbraw/zinc/41/43/45/703414345.db2.gz BAUPOHKOFGZKMB-ZOBUZTSGSA-N 2 2 331.464 1.078 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032400272 703414347 /nfs/dbraw/zinc/41/43/47/703414347.db2.gz BAUPOHKOFGZKMB-ZOBUZTSGSA-N 2 2 331.464 1.078 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001032403132 703421206 /nfs/dbraw/zinc/42/12/06/703421206.db2.gz SWCNJCZRMWDTCX-KBMXLJTQSA-N 2 2 328.416 1.576 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001032403132 703421207 /nfs/dbraw/zinc/42/12/07/703421207.db2.gz SWCNJCZRMWDTCX-KBMXLJTQSA-N 2 2 328.416 1.576 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000997178126 703464721 /nfs/dbraw/zinc/46/47/21/703464721.db2.gz CHHNMJVAFDQABC-LLVKDONJSA-N 2 2 348.476 1.464 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000997182268 703467370 /nfs/dbraw/zinc/46/73/70/703467370.db2.gz VXNYXRRDCHVIHG-PBHICJAKSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnn(C)n2)CC1 ZINC000997182268 703467372 /nfs/dbraw/zinc/46/73/72/703467372.db2.gz VXNYXRRDCHVIHG-PBHICJAKSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000997220524 703498823 /nfs/dbraw/zinc/49/88/23/703498823.db2.gz CEPYTPUSQCJRAU-CYBMUJFWSA-N 2 2 331.420 1.899 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000997221500 703499637 /nfs/dbraw/zinc/49/96/37/703499637.db2.gz KOECGLXXJIFCHY-UHFFFAOYSA-N 2 2 328.420 1.140 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000997238754 703525456 /nfs/dbraw/zinc/52/54/56/703525456.db2.gz WUPJVLBZYAGDHG-UHFFFAOYSA-N 2 2 327.432 1.529 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000997309454 703566852 /nfs/dbraw/zinc/56/68/52/703566852.db2.gz LDSNJNRCKNRAKU-LLVKDONJSA-N 2 2 332.408 1.225 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001032459897 703639911 /nfs/dbraw/zinc/63/99/11/703639911.db2.gz SXSFHEJZFLVJMH-MPGHIAIKSA-N 2 2 348.491 1.917 20 0 EDADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001032459897 703639912 /nfs/dbraw/zinc/63/99/12/703639912.db2.gz SXSFHEJZFLVJMH-MPGHIAIKSA-N 2 2 348.491 1.917 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001032498187 703796369 /nfs/dbraw/zinc/79/63/69/703796369.db2.gz KKCKGONWYBAZJO-GJZGRUSLSA-N 2 2 346.500 1.865 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001032498187 703796371 /nfs/dbraw/zinc/79/63/71/703796371.db2.gz KKCKGONWYBAZJO-GJZGRUSLSA-N 2 2 346.500 1.865 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995549849 703933586 /nfs/dbraw/zinc/93/35/86/703933586.db2.gz FZIPNTCMKYSEGP-STQMWFEESA-N 2 2 335.452 1.053 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995549849 703933589 /nfs/dbraw/zinc/93/35/89/703933589.db2.gz FZIPNTCMKYSEGP-STQMWFEESA-N 2 2 335.452 1.053 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)co1 ZINC001004203144 703938573 /nfs/dbraw/zinc/93/85/73/703938573.db2.gz HTSQYWXFEUWSAU-ZIAGYGMSSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000997643108 703950697 /nfs/dbraw/zinc/95/06/97/703950697.db2.gz ZUDPUESWEJFSIC-XJKSGUPXSA-N 2 2 348.495 1.314 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000997643108 703950700 /nfs/dbraw/zinc/95/07/00/703950700.db2.gz ZUDPUESWEJFSIC-XJKSGUPXSA-N 2 2 348.495 1.314 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC001033080166 704145588 /nfs/dbraw/zinc/14/55/88/704145588.db2.gz DJYFDMILAGQQMX-ZWKOTPCHSA-N 2 2 345.491 1.103 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC001033080166 704145590 /nfs/dbraw/zinc/14/55/90/704145590.db2.gz DJYFDMILAGQQMX-ZWKOTPCHSA-N 2 2 345.491 1.103 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ncc(C)o3)C2)CC[N@@H+]1C ZINC001033096719 704185042 /nfs/dbraw/zinc/18/50/42/704185042.db2.gz PDEVEYLQPOYWLC-HRCADAONSA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ncc(C)o3)C2)CC[N@H+]1C ZINC001033096719 704185045 /nfs/dbraw/zinc/18/50/45/704185045.db2.gz PDEVEYLQPOYWLC-HRCADAONSA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ncc(C)o3)C2)CC[NH+]1C ZINC001033096719 704185047 /nfs/dbraw/zinc/18/50/47/704185047.db2.gz PDEVEYLQPOYWLC-HRCADAONSA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ncc(C)o3)C2)CC[NH+]1C ZINC001033096719 704185050 /nfs/dbraw/zinc/18/50/50/704185050.db2.gz PDEVEYLQPOYWLC-HRCADAONSA-N 2 2 334.464 1.746 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2ccc(N)[nH+]c2)CC1=O ZINC000922664963 704214428 /nfs/dbraw/zinc/21/44/28/704214428.db2.gz WZQADHONEOQADH-LSDHHAIUSA-N 2 2 346.431 1.040 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)OCc2ccc(N)[nH+]c2)CC1=O ZINC000922664963 704214430 /nfs/dbraw/zinc/21/44/30/704214430.db2.gz WZQADHONEOQADH-LSDHHAIUSA-N 2 2 346.431 1.040 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cnn(C)c2)CC1 ZINC001032710694 706799117 /nfs/dbraw/zinc/79/91/17/706799117.db2.gz MDUWIIDGKKUNFT-ROUUACIJSA-N 2 2 345.491 1.326 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cnn(C)c2)CC1 ZINC001032710694 706799121 /nfs/dbraw/zinc/79/91/21/706799121.db2.gz MDUWIIDGKKUNFT-ROUUACIJSA-N 2 2 345.491 1.326 20 0 EDADLP CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000997696376 704577783 /nfs/dbraw/zinc/57/77/83/704577783.db2.gz JMQCRDDAUNXYJA-MAUKXSAKSA-N 2 2 337.508 1.724 20 0 EDADLP CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000997696376 704577784 /nfs/dbraw/zinc/57/77/84/704577784.db2.gz JMQCRDDAUNXYJA-MAUKXSAKSA-N 2 2 337.508 1.724 20 0 EDADLP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC001032550197 704685830 /nfs/dbraw/zinc/68/58/30/704685830.db2.gz HIHDJVSZEPBMKU-OKZBNKHCSA-N 2 2 346.475 1.764 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000997951523 705070632 /nfs/dbraw/zinc/07/06/32/705070632.db2.gz YJJASLIMSAAKOJ-HZPDHXFCSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000997951523 705070636 /nfs/dbraw/zinc/07/06/36/705070636.db2.gz YJJASLIMSAAKOJ-HZPDHXFCSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000997951523 705070643 /nfs/dbraw/zinc/07/06/43/705070643.db2.gz YJJASLIMSAAKOJ-HZPDHXFCSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000997951523 705070649 /nfs/dbraw/zinc/07/06/49/705070649.db2.gz YJJASLIMSAAKOJ-HZPDHXFCSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC000997960366 705093400 /nfs/dbraw/zinc/09/34/00/705093400.db2.gz LFRRSACOMSQGOU-RQTGCPSESA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000997960366 705093404 /nfs/dbraw/zinc/09/34/04/705093404.db2.gz LFRRSACOMSQGOU-RQTGCPSESA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000997960366 705093408 /nfs/dbraw/zinc/09/34/08/705093408.db2.gz LFRRSACOMSQGOU-RQTGCPSESA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC000997960366 705093410 /nfs/dbraw/zinc/09/34/10/705093410.db2.gz LFRRSACOMSQGOU-RQTGCPSESA-N 2 2 343.899 1.773 20 0 EDADLP CCc1nnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)s1 ZINC000998115680 705370168 /nfs/dbraw/zinc/37/01/68/705370168.db2.gz NRALVLIJWOBNTA-UHFFFAOYSA-N 2 2 348.476 1.395 20 0 EDADLP CC1(C)CO[C@H](C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000998184007 705483441 /nfs/dbraw/zinc/48/34/41/705483441.db2.gz RIOKUQMUILDYMW-HNNXBMFYSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611766 705581751 /nfs/dbraw/zinc/58/17/51/705581751.db2.gz OZMXQMNVPBCQRM-OFQRWUPVSA-N 2 2 336.505 1.823 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611766 705581755 /nfs/dbraw/zinc/58/17/55/705581755.db2.gz OZMXQMNVPBCQRM-OFQRWUPVSA-N 2 2 336.505 1.823 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC000998298068 705701330 /nfs/dbraw/zinc/70/13/30/705701330.db2.gz UJWZAWSTLMHZAZ-UHFFFAOYSA-N 2 2 333.461 1.676 20 0 EDADLP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000998939660 706361690 /nfs/dbraw/zinc/36/16/90/706361690.db2.gz QFFSPMZGEVCZPK-NEXFUWMNSA-N 2 2 329.404 1.589 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000998987988 706419900 /nfs/dbraw/zinc/41/99/00/706419900.db2.gz QEDXAMBCIUVRCH-OOHWJJMZSA-N 2 2 347.459 1.638 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]Cc2cnn(C)n2)C1 ZINC000998988459 706420614 /nfs/dbraw/zinc/42/06/14/706420614.db2.gz KIFBCCAKOXVFNI-UHFFFAOYSA-N 2 2 339.403 1.084 20 0 EDADLP COc1nscc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999043827 706484991 /nfs/dbraw/zinc/48/49/91/706484991.db2.gz KHUMQNBUESQYBP-ZDUSSCGKSA-N 2 2 349.460 1.588 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000999045907 706487491 /nfs/dbraw/zinc/48/74/91/706487491.db2.gz RYWYRPQTVPTTOJ-HWOWSKLDSA-N 2 2 334.464 1.738 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000999424177 706929955 /nfs/dbraw/zinc/92/99/55/706929955.db2.gz XXRBVDWJBQNLIQ-IACUBPJLSA-N 2 2 331.445 1.751 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]Cc3cnns3)C2)c[nH+]1 ZINC000999466681 706975095 /nfs/dbraw/zinc/97/50/95/706975095.db2.gz ODLKKROFTPAOIR-ZDUSSCGKSA-N 2 2 348.476 1.559 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)nn1 ZINC000999506026 707003491 /nfs/dbraw/zinc/00/34/91/707003491.db2.gz YLRDTDJPUIMKCF-CYBMUJFWSA-N 2 2 339.403 1.086 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999533858 707034272 /nfs/dbraw/zinc/03/42/72/707034272.db2.gz ASDJZGWLVFRVRJ-IRXDYDNUSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946703782 707169822 /nfs/dbraw/zinc/16/98/22/707169822.db2.gz IDFQYSRPRNUCEV-OKZBNKHCSA-N 2 2 346.475 1.480 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946703782 707169826 /nfs/dbraw/zinc/16/98/26/707169826.db2.gz IDFQYSRPRNUCEV-OKZBNKHCSA-N 2 2 346.475 1.480 20 0 EDADLP COc1cc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)sn1 ZINC000999687656 707241769 /nfs/dbraw/zinc/24/17/69/707241769.db2.gz FHHNXNXRVIUSHU-UHFFFAOYSA-N 2 2 349.460 1.207 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000999689153 707244251 /nfs/dbraw/zinc/24/42/51/707244251.db2.gz OKUAGXSFYKAZFS-QFWMXSHPSA-N 2 2 348.476 1.463 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999709358 707302106 /nfs/dbraw/zinc/30/21/06/707302106.db2.gz SPWFWAGMVQJPMP-ZDUSSCGKSA-N 2 2 342.428 1.580 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+][C@@H](C)c2cnccn2)C1 ZINC000999748644 707349575 /nfs/dbraw/zinc/34/95/75/707349575.db2.gz ZTBHGGAIXGUVNU-HSBZDZAISA-N 2 2 328.420 1.391 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999789264 707406788 /nfs/dbraw/zinc/40/67/88/707406788.db2.gz GJCNDDXJGCLJNL-WBVHZDCISA-N 2 2 347.463 1.333 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC001033196636 707410910 /nfs/dbraw/zinc/41/09/10/707410910.db2.gz DKZOXOKQHRCWSP-SJLPKXTDSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)c1 ZINC001033196636 707410912 /nfs/dbraw/zinc/41/09/12/707410912.db2.gz DKZOXOKQHRCWSP-SJLPKXTDSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001033196636 707410915 /nfs/dbraw/zinc/41/09/15/707410915.db2.gz DKZOXOKQHRCWSP-SJLPKXTDSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001033196636 707410918 /nfs/dbraw/zinc/41/09/18/707410918.db2.gz DKZOXOKQHRCWSP-SJLPKXTDSA-N 2 2 346.475 1.607 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)c(C)o1 ZINC000999841798 707415194 /nfs/dbraw/zinc/41/51/94/707415194.db2.gz MLHVZEJTULJKPL-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC001033294815 707419917 /nfs/dbraw/zinc/41/99/17/707419917.db2.gz GCEXWKLTCFVVOX-WMZOPIPTSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC001033294815 707419918 /nfs/dbraw/zinc/41/99/18/707419918.db2.gz GCEXWKLTCFVVOX-WMZOPIPTSA-N 2 2 346.475 1.890 20 0 EDADLP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033295308 707421913 /nfs/dbraw/zinc/42/19/13/707421913.db2.gz KMCFKMWHHXMTJK-AEFFLSMTSA-N 2 2 345.491 1.327 20 0 EDADLP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033295308 707421917 /nfs/dbraw/zinc/42/19/17/707421917.db2.gz KMCFKMWHHXMTJK-AEFFLSMTSA-N 2 2 345.491 1.327 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)ncn1 ZINC000999835297 707469084 /nfs/dbraw/zinc/46/90/84/707469084.db2.gz HUBNOMBLXBFLAD-HNNXBMFYSA-N 2 2 328.420 1.152 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999886453 707476097 /nfs/dbraw/zinc/47/60/97/707476097.db2.gz WLNBHQVBYYCHAL-DZGCQCFKSA-N 2 2 349.479 1.894 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCc2ccns2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044810601 707539070 /nfs/dbraw/zinc/53/90/70/707539070.db2.gz VZHLRARCYXKXDX-CHWSQXEVSA-N 2 2 333.461 1.621 20 0 EDADLP CN(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999915731 707557813 /nfs/dbraw/zinc/55/78/13/707557813.db2.gz KKBGCIRELDTPOY-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP COc1nscc1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999917874 707559938 /nfs/dbraw/zinc/55/99/38/707559938.db2.gz YHEXLNBMSNRMQK-UHFFFAOYSA-N 2 2 335.433 1.127 20 0 EDADLP CCCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)o1 ZINC000999917600 707560050 /nfs/dbraw/zinc/56/00/50/707560050.db2.gz UZVJKWVSZDDOBL-UHFFFAOYSA-N 2 2 345.447 1.911 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033205575 707629501 /nfs/dbraw/zinc/62/95/01/707629501.db2.gz DQLPGUFGEUEOCS-DOTOQJQBSA-N 2 2 339.443 1.573 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033205575 707629502 /nfs/dbraw/zinc/62/95/02/707629502.db2.gz DQLPGUFGEUEOCS-DOTOQJQBSA-N 2 2 339.443 1.573 20 0 EDADLP CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365665 707660374 /nfs/dbraw/zinc/66/03/74/707660374.db2.gz QBGPBDAIDPFFOX-QZTJIDSGSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033365665 707660377 /nfs/dbraw/zinc/66/03/77/707660377.db2.gz QBGPBDAIDPFFOX-QZTJIDSGSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033365665 707660383 /nfs/dbraw/zinc/66/03/83/707660383.db2.gz QBGPBDAIDPFFOX-QZTJIDSGSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033365665 707660386 /nfs/dbraw/zinc/66/03/86/707660386.db2.gz QBGPBDAIDPFFOX-QZTJIDSGSA-N 2 2 337.508 1.963 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366290 707662163 /nfs/dbraw/zinc/66/21/63/707662163.db2.gz OVHXYFZOJVKYGU-INIZCTEOSA-N 2 2 346.431 1.984 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366290 707662166 /nfs/dbraw/zinc/66/21/66/707662166.db2.gz OVHXYFZOJVKYGU-INIZCTEOSA-N 2 2 346.431 1.984 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033210108 707663205 /nfs/dbraw/zinc/66/32/05/707663205.db2.gz UYDJFPDTLBVFGA-SJORKVTESA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033210108 707663206 /nfs/dbraw/zinc/66/32/06/707663206.db2.gz UYDJFPDTLBVFGA-SJORKVTESA-N 2 2 346.475 1.405 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033211710 707693922 /nfs/dbraw/zinc/69/39/22/707693922.db2.gz LSFKCKSRQZELBP-PBHICJAKSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033211710 707693924 /nfs/dbraw/zinc/69/39/24/707693924.db2.gz LSFKCKSRQZELBP-PBHICJAKSA-N 2 2 343.431 1.475 20 0 EDADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001032725030 707710282 /nfs/dbraw/zinc/71/02/82/707710282.db2.gz AEPYMUVLKDRADH-LNLFQRSKSA-N 2 2 331.460 1.395 20 0 EDADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001032725030 707710287 /nfs/dbraw/zinc/71/02/87/707710287.db2.gz AEPYMUVLKDRADH-LNLFQRSKSA-N 2 2 331.460 1.395 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cs1 ZINC001033393042 707728058 /nfs/dbraw/zinc/72/80/58/707728058.db2.gz DINTVTORMRXWIK-INIZCTEOSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cs1 ZINC001033393042 707728061 /nfs/dbraw/zinc/72/80/61/707728061.db2.gz DINTVTORMRXWIK-INIZCTEOSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1nocc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004965955 707758967 /nfs/dbraw/zinc/75/89/67/707758967.db2.gz NARCLJZFHCZVGM-DZGCQCFKSA-N 2 2 331.420 1.808 20 0 EDADLP C[C@H]([NH2+]Cc1cncs1)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004966709 707761838 /nfs/dbraw/zinc/76/18/38/707761838.db2.gz PRIJBPVWEQPRQQ-JSGCOSHPSA-N 2 2 333.461 1.968 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033417011 707798500 /nfs/dbraw/zinc/79/85/00/707798500.db2.gz TZOFQWIHGAYIIN-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033417011 707798505 /nfs/dbraw/zinc/79/85/05/707798505.db2.gz TZOFQWIHGAYIIN-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001033417011 707798510 /nfs/dbraw/zinc/79/85/10/707798510.db2.gz TZOFQWIHGAYIIN-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001033417011 707798514 /nfs/dbraw/zinc/79/85/14/707798514.db2.gz TZOFQWIHGAYIIN-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004974700 707805579 /nfs/dbraw/zinc/80/55/79/707805579.db2.gz IUPPSQHSYLZKPH-RHSMWYFYSA-N 2 2 344.463 1.256 20 0 EDADLP CCc1noc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004994516 707880263 /nfs/dbraw/zinc/88/02/63/707880263.db2.gz VFULJTJKKHCGQR-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001004994540 707880769 /nfs/dbraw/zinc/88/07/69/707880769.db2.gz VNMYHPIRKJTDKY-PBHICJAKSA-N 2 2 344.463 1.484 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001000312692 707984278 /nfs/dbraw/zinc/98/42/78/707984278.db2.gz OYHALRSIZFTXFU-KGLIPLIRSA-N 2 2 328.420 1.392 20 0 EDADLP CC(C)c1cnc(C[NH2+][C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)o1 ZINC001000935029 708078323 /nfs/dbraw/zinc/07/83/23/708078323.db2.gz LWLUEUIUKSCDLA-OAHLLOKOSA-N 2 2 334.464 1.974 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033587938 708280141 /nfs/dbraw/zinc/28/01/41/708280141.db2.gz IYODCXYMUFLOTG-ZDUSSCGKSA-N 2 2 347.488 1.919 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001033587938 708280144 /nfs/dbraw/zinc/28/01/44/708280144.db2.gz IYODCXYMUFLOTG-ZDUSSCGKSA-N 2 2 347.488 1.919 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033590382 708286887 /nfs/dbraw/zinc/28/68/87/708286887.db2.gz PNBMADMXQFNPSO-HNNXBMFYSA-N 2 2 344.463 1.196 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001033590382 708286888 /nfs/dbraw/zinc/28/68/88/708286888.db2.gz PNBMADMXQFNPSO-HNNXBMFYSA-N 2 2 344.463 1.196 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001033595597 708299688 /nfs/dbraw/zinc/29/96/88/708299688.db2.gz UXXDKAHMLFSUMU-CQSZACIVSA-N 2 2 334.489 1.580 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001033595597 708299691 /nfs/dbraw/zinc/29/96/91/708299691.db2.gz UXXDKAHMLFSUMU-CQSZACIVSA-N 2 2 334.489 1.580 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585797 708313997 /nfs/dbraw/zinc/31/39/97/708313997.db2.gz MVVHRGHSNPSQHW-HNNXBMFYSA-N 2 2 343.431 1.791 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585797 708314001 /nfs/dbraw/zinc/31/40/01/708314001.db2.gz MVVHRGHSNPSQHW-HNNXBMFYSA-N 2 2 343.431 1.791 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)s1 ZINC001033617415 708345226 /nfs/dbraw/zinc/34/52/26/708345226.db2.gz TUOHELKSJHNVFU-CYBMUJFWSA-N 2 2 333.461 1.758 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)s1 ZINC001033617415 708345229 /nfs/dbraw/zinc/34/52/29/708345229.db2.gz TUOHELKSJHNVFU-CYBMUJFWSA-N 2 2 333.461 1.758 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccsc3)C2)C1 ZINC001033670405 708460485 /nfs/dbraw/zinc/46/04/85/708460485.db2.gz BFVXBSZDSWZICU-HZPDHXFCSA-N 2 2 337.489 1.502 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccsc3)C2)C1 ZINC001033670405 708460486 /nfs/dbraw/zinc/46/04/86/708460486.db2.gz BFVXBSZDSWZICU-HZPDHXFCSA-N 2 2 337.489 1.502 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccsc3)C2)C1 ZINC001033670405 708460487 /nfs/dbraw/zinc/46/04/87/708460487.db2.gz BFVXBSZDSWZICU-HZPDHXFCSA-N 2 2 337.489 1.502 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001033670405 708460488 /nfs/dbraw/zinc/46/04/88/708460488.db2.gz BFVXBSZDSWZICU-HZPDHXFCSA-N 2 2 337.489 1.502 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cs1 ZINC001033703552 708532344 /nfs/dbraw/zinc/53/23/44/708532344.db2.gz GOJCIVQZKMUHAH-OAHLLOKOSA-N 2 2 333.461 1.423 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cs1 ZINC001033703552 708532347 /nfs/dbraw/zinc/53/23/47/708532347.db2.gz GOJCIVQZKMUHAH-OAHLLOKOSA-N 2 2 333.461 1.423 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033790145 708701323 /nfs/dbraw/zinc/70/13/23/708701323.db2.gz UBIGIISPGUTGOX-CVEARBPZSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033790145 708701325 /nfs/dbraw/zinc/70/13/25/708701325.db2.gz UBIGIISPGUTGOX-CVEARBPZSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033790145 708701327 /nfs/dbraw/zinc/70/13/27/708701327.db2.gz UBIGIISPGUTGOX-CVEARBPZSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033790145 708701329 /nfs/dbraw/zinc/70/13/29/708701329.db2.gz UBIGIISPGUTGOX-CVEARBPZSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2cnns2)C1 ZINC001033839282 708869307 /nfs/dbraw/zinc/86/93/07/708869307.db2.gz RBZAXQDUULHPPU-VNHYZAJKSA-N 2 2 337.493 1.301 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2cnns2)C1 ZINC001033839282 708869309 /nfs/dbraw/zinc/86/93/09/708869309.db2.gz RBZAXQDUULHPPU-VNHYZAJKSA-N 2 2 337.493 1.301 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cnns2)C1 ZINC001033839282 708869312 /nfs/dbraw/zinc/86/93/12/708869312.db2.gz RBZAXQDUULHPPU-VNHYZAJKSA-N 2 2 337.493 1.301 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cnns2)C1 ZINC001033839282 708869315 /nfs/dbraw/zinc/86/93/15/708869315.db2.gz RBZAXQDUULHPPU-VNHYZAJKSA-N 2 2 337.493 1.301 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001002476746 709013553 /nfs/dbraw/zinc/01/35/53/709013553.db2.gz STKXHBUDTUGAGK-MRXNPFEDSA-N 2 2 332.448 1.727 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001002476746 709013557 /nfs/dbraw/zinc/01/35/57/709013557.db2.gz STKXHBUDTUGAGK-MRXNPFEDSA-N 2 2 332.448 1.727 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001002476817 709013665 /nfs/dbraw/zinc/01/36/65/709013665.db2.gz VBDOMAWINWUBLI-QGZVFWFLSA-N 2 2 333.480 1.639 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001002476817 709013668 /nfs/dbraw/zinc/01/36/68/709013668.db2.gz VBDOMAWINWUBLI-QGZVFWFLSA-N 2 2 333.480 1.639 20 0 EDADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034008736 709219537 /nfs/dbraw/zinc/21/95/37/709219537.db2.gz BRYGHUNMLAGSRU-ZBFHGGJFSA-N 2 2 343.431 1.185 20 0 EDADLP Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000702213662 709394441 /nfs/dbraw/zinc/39/44/41/709394441.db2.gz FFUWXJARPCYWHO-INIZCTEOSA-N 2 2 326.448 1.595 20 0 EDADLP Cc1cc(NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000702213662 709394443 /nfs/dbraw/zinc/39/44/43/709394443.db2.gz FFUWXJARPCYWHO-INIZCTEOSA-N 2 2 326.448 1.595 20 0 EDADLP COc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034136220 709407641 /nfs/dbraw/zinc/40/76/41/709407641.db2.gz JMXPLHDMYHBYLR-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034136220 709407642 /nfs/dbraw/zinc/40/76/42/709407642.db2.gz JMXPLHDMYHBYLR-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034136220 709407644 /nfs/dbraw/zinc/40/76/44/709407644.db2.gz JMXPLHDMYHBYLR-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001034136220 709407645 /nfs/dbraw/zinc/40/76/45/709407645.db2.gz JMXPLHDMYHBYLR-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccsc3)C2)C1 ZINC001034148511 709419478 /nfs/dbraw/zinc/41/94/78/709419478.db2.gz LGFUEXNJKHPYSK-HZPDHXFCSA-N 2 2 337.489 1.549 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccsc3)C2)C1 ZINC001034148511 709419479 /nfs/dbraw/zinc/41/94/79/709419479.db2.gz LGFUEXNJKHPYSK-HZPDHXFCSA-N 2 2 337.489 1.549 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccsc3)C2)C1 ZINC001034148511 709419480 /nfs/dbraw/zinc/41/94/80/709419480.db2.gz LGFUEXNJKHPYSK-HZPDHXFCSA-N 2 2 337.489 1.549 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccsc3)C2)C1 ZINC001034148511 709419481 /nfs/dbraw/zinc/41/94/81/709419481.db2.gz LGFUEXNJKHPYSK-HZPDHXFCSA-N 2 2 337.489 1.549 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061180808 709479154 /nfs/dbraw/zinc/47/91/54/709479154.db2.gz UKKMYDMLOJSTND-DLBZAZTESA-N 2 2 345.491 1.923 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061180808 709479156 /nfs/dbraw/zinc/47/91/56/709479156.db2.gz UKKMYDMLOJSTND-DLBZAZTESA-N 2 2 345.491 1.923 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034206554 709552479 /nfs/dbraw/zinc/55/24/79/709552479.db2.gz CPXLWFZTDHOACX-SJORKVTESA-N 2 2 346.475 1.796 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034206554 709552480 /nfs/dbraw/zinc/55/24/80/709552480.db2.gz CPXLWFZTDHOACX-SJORKVTESA-N 2 2 346.475 1.796 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](Cc2ccon2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034208170 709556724 /nfs/dbraw/zinc/55/67/24/709556724.db2.gz RFFMNIBGELXIHG-RDJZCZTQSA-N 2 2 332.448 1.487 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](Cc2ccon2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034208170 709556727 /nfs/dbraw/zinc/55/67/27/709556727.db2.gz RFFMNIBGELXIHG-RDJZCZTQSA-N 2 2 332.448 1.487 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001034213587 709565110 /nfs/dbraw/zinc/56/51/10/709565110.db2.gz ZTCYFBZTQJZZCH-SJLPKXTDSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001034213587 709565115 /nfs/dbraw/zinc/56/51/15/709565115.db2.gz ZTCYFBZTQJZZCH-SJLPKXTDSA-N 2 2 346.475 1.796 20 0 EDADLP COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260854 709648053 /nfs/dbraw/zinc/64/80/53/709648053.db2.gz PRMLBHPTJMBXSB-CVEARBPZSA-N 2 2 336.480 1.932 20 0 EDADLP COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260854 709648056 /nfs/dbraw/zinc/64/80/56/709648056.db2.gz PRMLBHPTJMBXSB-CVEARBPZSA-N 2 2 336.480 1.932 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cnc(C)nc2)C1 ZINC001034309192 709751242 /nfs/dbraw/zinc/75/12/42/709751242.db2.gz JQHZAWCIBHOHEY-QGZVFWFLSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001034309192 709751243 /nfs/dbraw/zinc/75/12/43/709751243.db2.gz JQHZAWCIBHOHEY-QGZVFWFLSA-N 2 2 342.447 1.461 20 0 EDADLP Cn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC001034340810 709805467 /nfs/dbraw/zinc/80/54/67/709805467.db2.gz VRWWYJQCUWKSOG-MRXNPFEDSA-N 2 2 347.507 1.765 20 0 EDADLP Cn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC001034340810 709805472 /nfs/dbraw/zinc/80/54/72/709805472.db2.gz VRWWYJQCUWKSOG-MRXNPFEDSA-N 2 2 347.507 1.765 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001034378441 709900187 /nfs/dbraw/zinc/90/01/87/709900187.db2.gz SMWWYOFYRNYENZ-BBRMVZONSA-N 2 2 348.495 1.487 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC001034378441 709900191 /nfs/dbraw/zinc/90/01/91/709900191.db2.gz SMWWYOFYRNYENZ-BBRMVZONSA-N 2 2 348.495 1.487 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001032834415 710007781 /nfs/dbraw/zinc/00/77/81/710007781.db2.gz AESOCOXBSSTNKE-IJKBJJPYSA-N 2 2 329.444 1.221 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001032834415 710007789 /nfs/dbraw/zinc/00/77/89/710007789.db2.gz AESOCOXBSSTNKE-IJKBJJPYSA-N 2 2 329.444 1.221 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](C/C=C\c3ccccc3)C2)C1 ZINC001032834415 710007794 /nfs/dbraw/zinc/00/77/94/710007794.db2.gz AESOCOXBSSTNKE-IJKBJJPYSA-N 2 2 329.444 1.221 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)C1 ZINC001032834415 710007798 /nfs/dbraw/zinc/00/77/98/710007798.db2.gz AESOCOXBSSTNKE-IJKBJJPYSA-N 2 2 329.444 1.221 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001003159016 710067252 /nfs/dbraw/zinc/06/72/52/710067252.db2.gz LPIORDVMRKYQCT-SWLSCSKDSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC001003159016 710067256 /nfs/dbraw/zinc/06/72/56/710067256.db2.gz LPIORDVMRKYQCT-SWLSCSKDSA-N 2 2 335.452 1.504 20 0 EDADLP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001003191443 710087939 /nfs/dbraw/zinc/08/79/39/710087939.db2.gz YGSGEPYSEJGSGR-INIZCTEOSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001003181107 710096782 /nfs/dbraw/zinc/09/67/82/710096782.db2.gz XWQPBEGTDNNYAI-HUUCEWRRSA-N 2 2 332.448 1.063 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470942 710103388 /nfs/dbraw/zinc/10/33/88/710103388.db2.gz YOLFVFWWVJXZST-WBVHZDCISA-N 2 2 342.443 1.837 20 0 EDADLP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470942 710103390 /nfs/dbraw/zinc/10/33/90/710103390.db2.gz YOLFVFWWVJXZST-WBVHZDCISA-N 2 2 342.443 1.837 20 0 EDADLP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001003212482 710124765 /nfs/dbraw/zinc/12/47/65/710124765.db2.gz ZOXZGNGKHJPJBS-JSGCOSHPSA-N 2 2 334.464 1.439 20 0 EDADLP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001003212482 710124768 /nfs/dbraw/zinc/12/47/68/710124768.db2.gz ZOXZGNGKHJPJBS-JSGCOSHPSA-N 2 2 334.464 1.439 20 0 EDADLP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001003194750 710129885 /nfs/dbraw/zinc/12/98/85/710129885.db2.gz WBSCBFJVICMMKK-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1oncc1C[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001003221221 710140088 /nfs/dbraw/zinc/14/00/88/710140088.db2.gz LWSTUCSLSLVNIM-UHFFFAOYSA-N 2 2 347.419 1.427 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC001003245271 710169142 /nfs/dbraw/zinc/16/91/42/710169142.db2.gz WLSNMOCISPBHRZ-ZDUSSCGKSA-N 2 2 347.463 1.648 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)ccn1 ZINC001003311507 710240255 /nfs/dbraw/zinc/24/02/55/710240255.db2.gz FUPREQCCSPBDNH-UHFFFAOYSA-N 2 2 343.431 1.376 20 0 EDADLP COc1ccc(C[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)cn1 ZINC001003312330 710240766 /nfs/dbraw/zinc/24/07/66/710240766.db2.gz LBRNFQCGKNDZMJ-UHFFFAOYSA-N 2 2 343.431 1.376 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001003607800 710439744 /nfs/dbraw/zinc/43/97/44/710439744.db2.gz YQDPHFPKWRENPR-DZGCQCFKSA-N 2 2 332.448 1.447 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003627472 710457383 /nfs/dbraw/zinc/45/73/83/710457383.db2.gz FCJLQIHBVSORBH-CABCVRRESA-N 2 2 331.464 1.603 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003627472 710457384 /nfs/dbraw/zinc/45/73/84/710457384.db2.gz FCJLQIHBVSORBH-CABCVRRESA-N 2 2 331.464 1.603 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003627474 710457510 /nfs/dbraw/zinc/45/75/10/710457510.db2.gz FCJLQIHBVSORBH-GJZGRUSLSA-N 2 2 331.464 1.603 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003627474 710457512 /nfs/dbraw/zinc/45/75/12/710457512.db2.gz FCJLQIHBVSORBH-GJZGRUSLSA-N 2 2 331.464 1.603 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)nc1 ZINC001003842415 710678464 /nfs/dbraw/zinc/67/84/64/710678464.db2.gz XUKLNPKIXXFSRF-UHFFFAOYSA-N 2 2 345.491 1.598 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001032945197 710924394 /nfs/dbraw/zinc/92/43/94/710924394.db2.gz OLFWLQAUFKRJOM-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001032945197 710924397 /nfs/dbraw/zinc/92/43/97/710924397.db2.gz OLFWLQAUFKRJOM-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001032945197 710924399 /nfs/dbraw/zinc/92/43/99/710924399.db2.gz OLFWLQAUFKRJOM-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001032945197 710924403 /nfs/dbraw/zinc/92/44/03/710924403.db2.gz OLFWLQAUFKRJOM-CVEARBPZSA-N 2 2 332.448 1.217 20 0 EDADLP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC001034775537 711049277 /nfs/dbraw/zinc/04/92/77/711049277.db2.gz CEAZCHAMWAGGOC-QAQDUYKDSA-N 2 2 341.459 1.883 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC001034802311 711134707 /nfs/dbraw/zinc/13/47/07/711134707.db2.gz WWZHEGWSXMORSK-MRVWCRGKSA-N 2 2 331.424 1.088 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034800089 711139371 /nfs/dbraw/zinc/13/93/71/711139371.db2.gz YGILNWIECWMUAH-SHTZXODSSA-N 2 2 345.451 1.020 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]Cc3cnon3)cc2)CC[N@@H+]1C ZINC001034818622 711205185 /nfs/dbraw/zinc/20/51/85/711205185.db2.gz LHAPUOOEDIEMES-CXAGYDPISA-N 2 2 343.431 1.316 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH2+]Cc3cnon3)cc2)CC[N@H+]1C ZINC001034818622 711205188 /nfs/dbraw/zinc/20/51/88/711205188.db2.gz LHAPUOOEDIEMES-CXAGYDPISA-N 2 2 343.431 1.316 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001034881492 711281922 /nfs/dbraw/zinc/28/19/22/711281922.db2.gz JEIVVWREKWYMMM-KGLIPLIRSA-N 2 2 333.436 1.122 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1 ZINC001034881492 711281926 /nfs/dbraw/zinc/28/19/26/711281926.db2.gz JEIVVWREKWYMMM-KGLIPLIRSA-N 2 2 333.436 1.122 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(F)F)no1 ZINC001034882916 711284775 /nfs/dbraw/zinc/28/47/75/711284775.db2.gz HNGPVGCWDYQNPL-GHMZBOCLSA-N 2 2 343.378 1.182 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(F)F)no1 ZINC001034882916 711284778 /nfs/dbraw/zinc/28/47/78/711284778.db2.gz HNGPVGCWDYQNPL-GHMZBOCLSA-N 2 2 343.378 1.182 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(F)cc2)C1 ZINC001034891697 711347785 /nfs/dbraw/zinc/34/77/85/711347785.db2.gz ZITSGBIBTFCPAP-SJORKVTESA-N 2 2 335.423 1.237 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(F)cc2)C1 ZINC001034891697 711347789 /nfs/dbraw/zinc/34/77/89/711347789.db2.gz ZITSGBIBTFCPAP-SJORKVTESA-N 2 2 335.423 1.237 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]Cc1cc2n(n1)CCC2 ZINC001034920308 711377756 /nfs/dbraw/zinc/37/77/56/711377756.db2.gz LRYVPHWHXGSDJF-MRXNPFEDSA-N 2 2 342.447 1.266 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001004054447 711377984 /nfs/dbraw/zinc/37/79/84/711377984.db2.gz VNTXTYCEGFHIBJ-CQSZACIVSA-N 2 2 342.390 1.265 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]ccn32)co1 ZINC001034958177 711431209 /nfs/dbraw/zinc/43/12/09/711431209.db2.gz CPBUQKLTNGHNOD-CVEARBPZSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1cccc(NCCNC(=O)NCc2c[nH+]c3n2CCCC3)[nH+]1 ZINC000922397559 711473148 /nfs/dbraw/zinc/47/31/48/711473148.db2.gz MMXNZLPIQZDLJV-UHFFFAOYSA-N 2 2 328.420 1.834 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922516229 711635224 /nfs/dbraw/zinc/63/52/24/711635224.db2.gz CZJHXHNBYAJACE-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922516229 711635226 /nfs/dbraw/zinc/63/52/26/711635226.db2.gz CZJHXHNBYAJACE-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H]2CCC[N@H+]2C[C@H](C)O)CC1 ZINC001004610132 712063528 /nfs/dbraw/zinc/06/35/28/712063528.db2.gz NUHGUENTBBMGNW-GUYCJALGSA-N 2 2 334.464 1.344 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C[C@H](C)O)CC1 ZINC001004610132 712063531 /nfs/dbraw/zinc/06/35/31/712063531.db2.gz NUHGUENTBBMGNW-GUYCJALGSA-N 2 2 334.464 1.344 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004612131 712066943 /nfs/dbraw/zinc/06/69/43/712066943.db2.gz ZLHYLGQLPUHHJA-GOSISDBHSA-N 2 2 348.491 1.438 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004612131 712066944 /nfs/dbraw/zinc/06/69/44/712066944.db2.gz ZLHYLGQLPUHHJA-GOSISDBHSA-N 2 2 348.491 1.438 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033148988 712096905 /nfs/dbraw/zinc/09/69/05/712096905.db2.gz FKIYHRKTWUDUKF-JKSUJKDBSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033148988 712096907 /nfs/dbraw/zinc/09/69/07/712096907.db2.gz FKIYHRKTWUDUKF-JKSUJKDBSA-N 2 2 343.431 1.790 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946644839 712152888 /nfs/dbraw/zinc/15/28/88/712152888.db2.gz KAOQTKOMVZGLQK-IXDOHACOSA-N 2 2 346.475 1.262 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]2C1 ZINC000946644839 712152890 /nfs/dbraw/zinc/15/28/90/712152890.db2.gz KAOQTKOMVZGLQK-IXDOHACOSA-N 2 2 346.475 1.262 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)o1 ZINC001033154316 712164731 /nfs/dbraw/zinc/16/47/31/712164731.db2.gz ZPSPACFFVPSLIU-HOCLYGCPSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)o1 ZINC001033154316 712164733 /nfs/dbraw/zinc/16/47/33/712164733.db2.gz ZPSPACFFVPSLIU-HOCLYGCPSA-N 2 2 343.431 1.790 20 0 EDADLP CN(C)[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1c[nH+]cn1C ZINC000343423655 282231633 /nfs/dbraw/zinc/23/16/33/282231633.db2.gz RVHOGTMPCKJRTN-KRWDZBQOSA-N 2 2 333.480 1.500 20 0 EDADLP CN(C)[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1c[nH+]cn1C ZINC000343423655 282231636 /nfs/dbraw/zinc/23/16/36/282231636.db2.gz RVHOGTMPCKJRTN-KRWDZBQOSA-N 2 2 333.480 1.500 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000174519521 529781121 /nfs/dbraw/zinc/78/11/21/529781121.db2.gz VPYNMZKZMXZDRN-QGZVFWFLSA-N 2 2 335.423 1.191 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000174519521 529781122 /nfs/dbraw/zinc/78/11/22/529781122.db2.gz VPYNMZKZMXZDRN-QGZVFWFLSA-N 2 2 335.423 1.191 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000174519521 529781123 /nfs/dbraw/zinc/78/11/23/529781123.db2.gz VPYNMZKZMXZDRN-QGZVFWFLSA-N 2 2 335.423 1.191 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000174519521 529781125 /nfs/dbraw/zinc/78/11/25/529781125.db2.gz VPYNMZKZMXZDRN-QGZVFWFLSA-N 2 2 335.423 1.191 20 0 EDADLP C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000433867918 305114270 /nfs/dbraw/zinc/11/42/70/305114270.db2.gz KLTZSKNMZGCKLA-KGLIPLIRSA-N 2 2 325.478 1.461 20 0 EDADLP C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000433867918 305114271 /nfs/dbraw/zinc/11/42/71/305114271.db2.gz KLTZSKNMZGCKLA-KGLIPLIRSA-N 2 2 325.478 1.461 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000101977048 219177446 /nfs/dbraw/zinc/17/74/46/219177446.db2.gz FPMQWCMFEUHWDY-SFHVURJKSA-N 2 2 348.491 1.699 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000101977048 219177450 /nfs/dbraw/zinc/17/74/50/219177450.db2.gz FPMQWCMFEUHWDY-SFHVURJKSA-N 2 2 348.491 1.699 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1c1cc[nH]n1)NC1CC[NH+](C2CC2)CC1 ZINC000560469777 306270162 /nfs/dbraw/zinc/27/01/62/306270162.db2.gz HWBMQSUCWYZZNE-QGZVFWFLSA-N 2 2 331.464 1.680 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1)NC1CC[NH+](C2CC2)CC1 ZINC000560469777 306270161 /nfs/dbraw/zinc/27/01/61/306270161.db2.gz HWBMQSUCWYZZNE-QGZVFWFLSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)([NH+](C)C)C1 ZINC000332826897 539607908 /nfs/dbraw/zinc/60/79/08/539607908.db2.gz LPGSWXAXPYZKMP-JFIYKMOQSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)([NH+](C)C)C1 ZINC000332826897 539607914 /nfs/dbraw/zinc/60/79/14/539607914.db2.gz LPGSWXAXPYZKMP-JFIYKMOQSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000412427696 304007399 /nfs/dbraw/zinc/00/73/99/304007399.db2.gz RDASEQZWMWZJDD-OWYHZJEWSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000412427696 304007401 /nfs/dbraw/zinc/00/74/01/304007401.db2.gz RDASEQZWMWZJDD-OWYHZJEWSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000412427696 304007404 /nfs/dbraw/zinc/00/74/04/304007404.db2.gz RDASEQZWMWZJDD-OWYHZJEWSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000412427696 304007405 /nfs/dbraw/zinc/00/74/05/304007405.db2.gz RDASEQZWMWZJDD-OWYHZJEWSA-N 2 2 343.471 1.296 20 0 EDADLP COCC(COC)[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000412434230 304008037 /nfs/dbraw/zinc/00/80/37/304008037.db2.gz GSMIOAZSJGZZDO-JYJNAYRXSA-N 2 2 341.496 1.053 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562383268 306297337 /nfs/dbraw/zinc/29/73/37/306297337.db2.gz YEZIYOUBLZULGA-AWEZNQCLSA-N 2 2 325.416 1.510 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152453074 539813372 /nfs/dbraw/zinc/81/33/72/539813372.db2.gz AIHFLAUSDIGRAR-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152453074 539813378 /nfs/dbraw/zinc/81/33/78/539813378.db2.gz AIHFLAUSDIGRAR-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152532245 539817256 /nfs/dbraw/zinc/81/72/56/539817256.db2.gz ZFXCKPFQKUWJTG-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152532245 539817261 /nfs/dbraw/zinc/81/72/61/539817261.db2.gz ZFXCKPFQKUWJTG-WMZOPIPTSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412692206 304027257 /nfs/dbraw/zinc/02/72/57/304027257.db2.gz CWZROHWFMDBELX-QZTJIDSGSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412692206 304027259 /nfs/dbraw/zinc/02/72/59/304027259.db2.gz CWZROHWFMDBELX-QZTJIDSGSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@@H](C)O1 ZINC000352102538 539920384 /nfs/dbraw/zinc/92/03/84/539920384.db2.gz LXQYQQLNZDFNRI-YKXHTNLXSA-N 2 2 347.503 1.492 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[C@@H](C)O1 ZINC000352102538 539920386 /nfs/dbraw/zinc/92/03/86/539920386.db2.gz LXQYQQLNZDFNRI-YKXHTNLXSA-N 2 2 347.503 1.492 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000181565821 234234764 /nfs/dbraw/zinc/23/47/64/234234764.db2.gz SBKRYFDVJWMJAO-GOSISDBHSA-N 2 2 347.459 1.472 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000562789235 306309009 /nfs/dbraw/zinc/30/90/09/306309009.db2.gz FNCBYMZEQDBKEE-IAGOWNOFSA-N 2 2 339.528 1.042 20 0 EDADLP Cn1ncc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1-c1ccccc1 ZINC000563497846 306335688 /nfs/dbraw/zinc/33/56/88/306335688.db2.gz KNMOHYBLKOCMLC-AWEZNQCLSA-N 2 2 328.420 1.194 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000563500822 306335846 /nfs/dbraw/zinc/33/58/46/306335846.db2.gz YJSSEWROKXTWGZ-QGZVFWFLSA-N 2 2 332.448 1.565 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000563500822 306335847 /nfs/dbraw/zinc/33/58/47/306335847.db2.gz YJSSEWROKXTWGZ-QGZVFWFLSA-N 2 2 332.448 1.565 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+]2CCc3sccc3C2)C1 ZINC000072886264 138211668 /nfs/dbraw/zinc/21/16/68/138211668.db2.gz MHHQVRJTVWZJCZ-UKRRQHHQSA-N 2 2 337.489 1.332 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+]2CCc3sccc3C2)C1 ZINC000072886264 138211670 /nfs/dbraw/zinc/21/16/70/138211670.db2.gz MHHQVRJTVWZJCZ-UKRRQHHQSA-N 2 2 337.489 1.332 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000072886264 138211672 /nfs/dbraw/zinc/21/16/72/138211672.db2.gz MHHQVRJTVWZJCZ-UKRRQHHQSA-N 2 2 337.489 1.332 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000072886264 138211673 /nfs/dbraw/zinc/21/16/73/138211673.db2.gz MHHQVRJTVWZJCZ-UKRRQHHQSA-N 2 2 337.489 1.332 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000073728057 138220900 /nfs/dbraw/zinc/22/09/00/138220900.db2.gz CICZZGOTAZVUFE-GJZGRUSLSA-N 2 2 341.402 1.404 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000073728057 138220901 /nfs/dbraw/zinc/22/09/01/138220901.db2.gz CICZZGOTAZVUFE-GJZGRUSLSA-N 2 2 341.402 1.404 20 0 EDADLP CN(C)c1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000075713882 138243905 /nfs/dbraw/zinc/24/39/05/138243905.db2.gz YSOUNHCEFIYKOT-UHFFFAOYSA-N 2 2 330.476 1.493 20 0 EDADLP CC(C)Oc1cccc([C@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000563559041 306338886 /nfs/dbraw/zinc/33/88/86/306338886.db2.gz UNPSGBGTJGFLIT-HOCLYGCPSA-N 2 2 334.464 1.819 20 0 EDADLP CC(C)Oc1cccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000563559041 306338887 /nfs/dbraw/zinc/33/88/87/306338887.db2.gz UNPSGBGTJGFLIT-HOCLYGCPSA-N 2 2 334.464 1.819 20 0 EDADLP C[N@H+](CCCNC(=O)NCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000077930947 138255955 /nfs/dbraw/zinc/25/59/55/138255955.db2.gz PTEPAIPIOXMISF-UHFFFAOYSA-N 2 2 334.464 1.140 20 0 EDADLP C[N@@H+](CCCNC(=O)NCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000077930947 138255956 /nfs/dbraw/zinc/25/59/56/138255956.db2.gz PTEPAIPIOXMISF-UHFFFAOYSA-N 2 2 334.464 1.140 20 0 EDADLP Cc1nnc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC000076324985 138247943 /nfs/dbraw/zinc/24/79/43/138247943.db2.gz XDZIAMKMNDTQIF-UHFFFAOYSA-N 2 2 337.468 1.294 20 0 EDADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081035707 138265435 /nfs/dbraw/zinc/26/54/35/138265435.db2.gz OTCGMMDAGAMTST-UHFFFAOYSA-N 2 2 340.427 1.809 20 0 EDADLP O=C(NCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000091576397 138284138 /nfs/dbraw/zinc/28/41/38/138284138.db2.gz GDYZXUCJWXJSIR-ZDUSSCGKSA-N 2 2 337.386 1.099 20 0 EDADLP O=C(NCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000091576397 138284139 /nfs/dbraw/zinc/28/41/39/138284139.db2.gz GDYZXUCJWXJSIR-ZDUSSCGKSA-N 2 2 337.386 1.099 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)[C@@H](C[NH3+])C1 ZINC000563586125 306339984 /nfs/dbraw/zinc/33/99/84/306339984.db2.gz GJSOIKJVNVSNIN-IRXDYDNUSA-N 2 2 348.491 1.073 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)[C@@H](C[NH3+])C1 ZINC000563586125 306339985 /nfs/dbraw/zinc/33/99/85/306339985.db2.gz GJSOIKJVNVSNIN-IRXDYDNUSA-N 2 2 348.491 1.073 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)CC1 ZINC000093188555 138292255 /nfs/dbraw/zinc/29/22/55/138292255.db2.gz KOXAFMDYSGINRA-SFHVURJKSA-N 2 2 331.460 1.094 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)CC1 ZINC000093188555 138292256 /nfs/dbraw/zinc/29/22/56/138292256.db2.gz KOXAFMDYSGINRA-SFHVURJKSA-N 2 2 331.460 1.094 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000093216861 138292814 /nfs/dbraw/zinc/29/28/14/138292814.db2.gz OPWHVTIYGXSWTC-MRXNPFEDSA-N 2 2 337.851 1.567 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000093216861 138292815 /nfs/dbraw/zinc/29/28/15/138292815.db2.gz OPWHVTIYGXSWTC-MRXNPFEDSA-N 2 2 337.851 1.567 20 0 EDADLP C[C@H]1OCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000120624872 138316199 /nfs/dbraw/zinc/31/61/99/138316199.db2.gz GRINBHWXMFZYGL-HUUCEWRRSA-N 2 2 338.496 1.364 20 0 EDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000110128058 138306881 /nfs/dbraw/zinc/30/68/81/138306881.db2.gz CURLGYVDWIQCAA-UHFFFAOYSA-N 2 2 333.480 1.981 20 0 EDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000110128058 138306882 /nfs/dbraw/zinc/30/68/82/138306882.db2.gz CURLGYVDWIQCAA-UHFFFAOYSA-N 2 2 333.480 1.981 20 0 EDADLP CN(C(=O)[C@@H]1CCOC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124552316 138327776 /nfs/dbraw/zinc/32/77/76/138327776.db2.gz WCKMZYZUVYNPHX-NXHRZFHOSA-N 2 2 337.508 1.819 20 0 EDADLP CN(C(=O)[C@@H]1CCOC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124552316 138327777 /nfs/dbraw/zinc/32/77/77/138327777.db2.gz WCKMZYZUVYNPHX-NXHRZFHOSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000124855237 138330087 /nfs/dbraw/zinc/33/00/87/138330087.db2.gz UUCKOUIAAWHKMD-IRXDYDNUSA-N 2 2 340.512 1.376 20 0 EDADLP COc1ncccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000124374158 138326125 /nfs/dbraw/zinc/32/61/25/138326125.db2.gz SOTINQNPMDSEIL-UHFFFAOYSA-N 2 2 332.448 1.379 20 0 EDADLP CN(C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133475584 138394035 /nfs/dbraw/zinc/39/40/35/138394035.db2.gz RLVOOSFPTFBSSN-QGZVFWFLSA-N 2 2 345.491 1.004 20 0 EDADLP CN(C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133475584 138394036 /nfs/dbraw/zinc/39/40/36/138394036.db2.gz RLVOOSFPTFBSSN-QGZVFWFLSA-N 2 2 345.491 1.004 20 0 EDADLP CC1CC[NH+](CCCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000564722361 306363662 /nfs/dbraw/zinc/36/36/62/306363662.db2.gz KWTPISDPNJTWAE-QRVBRYPASA-N 3 2 341.540 1.558 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+](C)C1 ZINC000413908849 304087725 /nfs/dbraw/zinc/08/77/25/304087725.db2.gz VLLSGZWHCDQHJC-HNNXBMFYSA-N 2 2 342.399 1.049 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+](C)C1 ZINC000413908849 304087726 /nfs/dbraw/zinc/08/77/26/304087726.db2.gz VLLSGZWHCDQHJC-HNNXBMFYSA-N 2 2 342.399 1.049 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000565154663 306376199 /nfs/dbraw/zinc/37/61/99/306376199.db2.gz BAZNJUYWRDTWPA-GXTWGEPZSA-N 2 2 325.840 1.647 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000565154663 306376200 /nfs/dbraw/zinc/37/62/00/306376200.db2.gz BAZNJUYWRDTWPA-GXTWGEPZSA-N 2 2 325.840 1.647 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000565216515 306378965 /nfs/dbraw/zinc/37/89/65/306378965.db2.gz GXDUVOXFIQUIAG-UHFFFAOYSA-N 2 2 329.404 1.794 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccn(C)n1 ZINC000414110291 304100654 /nfs/dbraw/zinc/10/06/54/304100654.db2.gz IBWOEAOTWJBECL-WDYCEAGBSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccn(C)n1 ZINC000414110291 304100656 /nfs/dbraw/zinc/10/06/56/304100656.db2.gz IBWOEAOTWJBECL-WDYCEAGBSA-N 2 2 328.460 1.954 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000072860219 216321142 /nfs/dbraw/zinc/32/11/42/216321142.db2.gz BYWCDQSMQCCNKB-MRXNPFEDSA-N 2 2 339.505 1.711 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000072860219 216321146 /nfs/dbraw/zinc/32/11/46/216321146.db2.gz BYWCDQSMQCCNKB-MRXNPFEDSA-N 2 2 339.505 1.711 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000072860219 216321149 /nfs/dbraw/zinc/32/11/49/216321149.db2.gz BYWCDQSMQCCNKB-MRXNPFEDSA-N 2 2 339.505 1.711 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000072860219 216321153 /nfs/dbraw/zinc/32/11/53/216321153.db2.gz BYWCDQSMQCCNKB-MRXNPFEDSA-N 2 2 339.505 1.711 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cccnc2OCC(F)F)n1C ZINC000414360788 304111449 /nfs/dbraw/zinc/11/14/49/304111449.db2.gz APCLYGVGNHLESC-UHFFFAOYSA-N 2 2 325.363 1.815 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000369528528 296056499 /nfs/dbraw/zinc/05/64/99/296056499.db2.gz BJYAAJBYGCEMPO-KRWDZBQOSA-N 2 2 332.448 1.759 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000369528528 296056501 /nfs/dbraw/zinc/05/65/01/296056501.db2.gz BJYAAJBYGCEMPO-KRWDZBQOSA-N 2 2 332.448 1.759 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000566090932 306398463 /nfs/dbraw/zinc/39/84/63/306398463.db2.gz SSHZLEHNQTWCRA-GOEBONIOSA-N 2 2 325.478 1.394 20 0 EDADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000414694349 304128454 /nfs/dbraw/zinc/12/84/54/304128454.db2.gz NGBFLZYHNURSCA-QZTJIDSGSA-N 2 2 326.529 1.087 20 0 EDADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414797482 304142060 /nfs/dbraw/zinc/14/20/60/304142060.db2.gz YRHWHQFTOYZMOS-UHFFFAOYSA-N 2 2 328.416 1.891 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000566687695 306425528 /nfs/dbraw/zinc/42/55/28/306425528.db2.gz ODVYZYPVXJGINJ-UHFFFAOYSA-N 2 2 344.503 1.609 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N2CC[NH2+][C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000415152601 304165921 /nfs/dbraw/zinc/16/59/21/304165921.db2.gz VCPDXJXHFOLJLS-GJZGRUSLSA-N 2 2 332.448 1.905 20 0 EDADLP COc1ccc(Br)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000228723916 139023573 /nfs/dbraw/zinc/02/35/73/139023573.db2.gz ONCAMEVXDGHOKV-AWEZNQCLSA-N 2 2 331.254 1.860 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000236921953 139035361 /nfs/dbraw/zinc/03/53/61/139035361.db2.gz AZRVHLGNGVEPAC-QGZVFWFLSA-N 2 2 335.448 1.346 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000237165940 139042714 /nfs/dbraw/zinc/04/27/14/139042714.db2.gz YECYCPVCRVZYPM-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)cc(OC)c1 ZINC000237332716 139048294 /nfs/dbraw/zinc/04/82/94/139048294.db2.gz ZNHCHZZMDRQUIF-QGZVFWFLSA-N 2 2 349.475 1.721 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000237405499 139050213 /nfs/dbraw/zinc/05/02/13/139050213.db2.gz IDQGIGWDKGZDTP-CGTJXYLNSA-N 2 2 331.460 1.646 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500519 284349437 /nfs/dbraw/zinc/34/94/37/284349437.db2.gz NVHDGHBQYLDPAP-CABCVRRESA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500519 284349440 /nfs/dbraw/zinc/34/94/40/284349440.db2.gz NVHDGHBQYLDPAP-CABCVRRESA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500519 284349442 /nfs/dbraw/zinc/34/94/42/284349442.db2.gz NVHDGHBQYLDPAP-CABCVRRESA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500519 284349446 /nfs/dbraw/zinc/34/94/46/284349446.db2.gz NVHDGHBQYLDPAP-CABCVRRESA-N 2 2 329.485 1.630 20 0 EDADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000237428510 139050851 /nfs/dbraw/zinc/05/08/51/139050851.db2.gz UXPRUDQEDUECKX-CJNGLKHVSA-N 2 2 337.851 1.534 20 0 EDADLP [NH3+][C@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000237831222 139061561 /nfs/dbraw/zinc/06/15/61/139061561.db2.gz OPEDFBOXOZCGTM-QZTJIDSGSA-N 2 2 331.460 1.790 20 0 EDADLP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1COCC[NH2+]1 ZINC000237905060 139063414 /nfs/dbraw/zinc/06/34/14/139063414.db2.gz BQWXREGMYKDLCJ-GOSISDBHSA-N 2 2 344.459 1.146 20 0 EDADLP O=C(Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1)[C@@H]1C[NH2+]CCO1 ZINC000237911723 139063534 /nfs/dbraw/zinc/06/35/34/139063534.db2.gz XDUOSJYPNDTNRS-INIZCTEOSA-N 2 2 326.400 1.813 20 0 EDADLP [NH3+]CCCCCCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000237989402 139065787 /nfs/dbraw/zinc/06/57/87/139065787.db2.gz PIAPWXSDGNWYLD-MRXNPFEDSA-N 2 2 329.510 1.220 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237993810 139065887 /nfs/dbraw/zinc/06/58/87/139065887.db2.gz OJWYWMYIHMXKEZ-NEWSRXKRSA-N 2 2 343.471 1.957 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CC(=O)Nc3ccccc32)[C@@H](C)C1 ZINC000245443074 139075138 /nfs/dbraw/zinc/07/51/38/139075138.db2.gz WWNFDJRAVUINBK-HOCLYGCPSA-N 2 2 344.459 1.634 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CC(=O)Nc3ccccc32)[C@@H](C)C1 ZINC000245443074 139075139 /nfs/dbraw/zinc/07/51/39/139075139.db2.gz WWNFDJRAVUINBK-HOCLYGCPSA-N 2 2 344.459 1.634 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CC(=O)Nc3ccccc32)[C@@H](C)C1 ZINC000245443074 139075140 /nfs/dbraw/zinc/07/51/40/139075140.db2.gz WWNFDJRAVUINBK-HOCLYGCPSA-N 2 2 344.459 1.634 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CC(=O)Nc3ccccc32)[C@@H](C)C1 ZINC000245443074 139075141 /nfs/dbraw/zinc/07/51/41/139075141.db2.gz WWNFDJRAVUINBK-HOCLYGCPSA-N 2 2 344.459 1.634 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245464028 139075950 /nfs/dbraw/zinc/07/59/50/139075950.db2.gz XRIGQWQTLDHYDK-ZIAGYGMSSA-N 2 2 332.448 1.386 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245464028 139075951 /nfs/dbraw/zinc/07/59/51/139075951.db2.gz XRIGQWQTLDHYDK-ZIAGYGMSSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245464028 139075952 /nfs/dbraw/zinc/07/59/52/139075952.db2.gz XRIGQWQTLDHYDK-ZIAGYGMSSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000245464028 139075953 /nfs/dbraw/zinc/07/59/53/139075953.db2.gz XRIGQWQTLDHYDK-ZIAGYGMSSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+](CC)CCN1CCC[N@H+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000245653622 139082148 /nfs/dbraw/zinc/08/21/48/139082148.db2.gz DCXVIBPMAYQJIZ-HNNXBMFYSA-N 2 2 339.484 1.627 20 0 EDADLP CC[NH+](CC)CCN1CCC[N@@H+](Cc2nc([C@H](C)OC)no2)CC1 ZINC000245653622 139082149 /nfs/dbraw/zinc/08/21/49/139082149.db2.gz DCXVIBPMAYQJIZ-HNNXBMFYSA-N 2 2 339.484 1.627 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000246130088 139095850 /nfs/dbraw/zinc/09/58/50/139095850.db2.gz JNHSMOIMQIDELH-WBVHZDCISA-N 2 2 335.448 1.562 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000246130088 139095851 /nfs/dbraw/zinc/09/58/51/139095851.db2.gz JNHSMOIMQIDELH-WBVHZDCISA-N 2 2 335.448 1.562 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246128255 139095960 /nfs/dbraw/zinc/09/59/60/139095960.db2.gz INXWYUYVESFHNA-GJZGRUSLSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246128255 139095961 /nfs/dbraw/zinc/09/59/61/139095961.db2.gz INXWYUYVESFHNA-GJZGRUSLSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246128255 139095962 /nfs/dbraw/zinc/09/59/62/139095962.db2.gz INXWYUYVESFHNA-GJZGRUSLSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246128255 139095963 /nfs/dbraw/zinc/09/59/63/139095963.db2.gz INXWYUYVESFHNA-GJZGRUSLSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000246249500 139100889 /nfs/dbraw/zinc/10/08/89/139100889.db2.gz PFMBMRWZZLZKPY-GDBMZVCRSA-N 2 2 325.478 1.036 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCNS(C)(=O)=O ZINC000246249500 139100890 /nfs/dbraw/zinc/10/08/90/139100890.db2.gz PFMBMRWZZLZKPY-GDBMZVCRSA-N 2 2 325.478 1.036 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000266007694 248023541 /nfs/dbraw/zinc/02/35/41/248023541.db2.gz KZZGDSYDTODUSH-RTBURBONSA-N 2 2 348.487 1.697 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000266007694 248023546 /nfs/dbraw/zinc/02/35/46/248023546.db2.gz KZZGDSYDTODUSH-RTBURBONSA-N 2 2 348.487 1.697 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118102 139136448 /nfs/dbraw/zinc/13/64/48/139136448.db2.gz FMYIXEDNQCQMFJ-SJLPKXTDSA-N 2 2 334.460 1.903 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118102 139136449 /nfs/dbraw/zinc/13/64/49/139136449.db2.gz FMYIXEDNQCQMFJ-SJLPKXTDSA-N 2 2 334.460 1.903 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118102 139136450 /nfs/dbraw/zinc/13/64/50/139136450.db2.gz FMYIXEDNQCQMFJ-SJLPKXTDSA-N 2 2 334.460 1.903 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118102 139136451 /nfs/dbraw/zinc/13/64/51/139136451.db2.gz FMYIXEDNQCQMFJ-SJLPKXTDSA-N 2 2 334.460 1.903 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000247578337 139152576 /nfs/dbraw/zinc/15/25/76/139152576.db2.gz KYKLOQQEGVUHAP-ZBFHGGJFSA-N 2 2 342.447 1.621 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000247578337 139152577 /nfs/dbraw/zinc/15/25/77/139152577.db2.gz KYKLOQQEGVUHAP-ZBFHGGJFSA-N 2 2 342.447 1.621 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248119440 139158393 /nfs/dbraw/zinc/15/83/93/139158393.db2.gz NDZHKMFXAMATNA-QZTJIDSGSA-N 2 2 345.487 1.770 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248119440 139158394 /nfs/dbraw/zinc/15/83/94/139158394.db2.gz NDZHKMFXAMATNA-QZTJIDSGSA-N 2 2 345.487 1.770 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248119440 139158395 /nfs/dbraw/zinc/15/83/95/139158395.db2.gz NDZHKMFXAMATNA-QZTJIDSGSA-N 2 2 345.487 1.770 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248119440 139158396 /nfs/dbraw/zinc/15/83/96/139158396.db2.gz NDZHKMFXAMATNA-QZTJIDSGSA-N 2 2 345.487 1.770 20 0 EDADLP C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000091763845 218061272 /nfs/dbraw/zinc/06/12/72/218061272.db2.gz UDAXTNCADPQMCN-IRXDYDNUSA-N 2 2 331.464 1.392 20 0 EDADLP CS[C@H](CO)[C@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000568866713 306491032 /nfs/dbraw/zinc/49/10/32/306491032.db2.gz KFAQSBYWWKVWPA-GRDNDAEWSA-N 2 2 337.489 1.716 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3cc(F)ccc3C2)CC1 ZINC000092318475 218133893 /nfs/dbraw/zinc/13/38/93/218133893.db2.gz PAZMWZWGOMPKHK-UHFFFAOYSA-N 2 2 348.466 1.919 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249542675 139195279 /nfs/dbraw/zinc/19/52/79/139195279.db2.gz FJYPWLYUMWSOIZ-UZLBHIALSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249542675 139195280 /nfs/dbraw/zinc/19/52/80/139195280.db2.gz FJYPWLYUMWSOIZ-UZLBHIALSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249542675 139195281 /nfs/dbraw/zinc/19/52/81/139195281.db2.gz FJYPWLYUMWSOIZ-UZLBHIALSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249542675 139195282 /nfs/dbraw/zinc/19/52/82/139195282.db2.gz FJYPWLYUMWSOIZ-UZLBHIALSA-N 2 2 347.503 1.858 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415433164 304219278 /nfs/dbraw/zinc/21/92/78/304219278.db2.gz GOIOBLCTHGGFNC-ZDUSSCGKSA-N 2 2 343.431 1.489 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH2+][C@@H](c3ccncc3)C1)CC2 ZINC000569009680 306494622 /nfs/dbraw/zinc/49/46/22/306494622.db2.gz CZLNEFPNLIFEQC-DOTOQJQBSA-N 2 2 325.416 1.322 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413138029 250645426 /nfs/dbraw/zinc/64/54/26/250645426.db2.gz CNTUBAXMQLXGOD-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CCOCC1 ZINC000261730961 139221507 /nfs/dbraw/zinc/22/15/07/139221507.db2.gz JVWWJUFFQSFAOM-GOSISDBHSA-N 2 2 346.475 1.832 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261787291 139226064 /nfs/dbraw/zinc/22/60/64/139226064.db2.gz PVPBLSSIPQWSHC-KZNAEPCWSA-N 2 2 331.460 1.379 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261787291 139226065 /nfs/dbraw/zinc/22/60/65/139226065.db2.gz PVPBLSSIPQWSHC-KZNAEPCWSA-N 2 2 331.460 1.379 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000261863093 139232219 /nfs/dbraw/zinc/23/22/19/139232219.db2.gz PWSXQEOUMFLTDL-BZUAXINKSA-N 2 2 346.475 1.701 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@]1(C)CC[NH2+]C1 ZINC000261876213 139233249 /nfs/dbraw/zinc/23/32/49/139233249.db2.gz PXTWDDQOBPVZJH-GOSISDBHSA-N 2 2 333.432 1.718 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@]1(C)CC[NH2+]C1 ZINC000261876213 139233250 /nfs/dbraw/zinc/23/32/50/139233250.db2.gz PXTWDDQOBPVZJH-GOSISDBHSA-N 2 2 333.432 1.718 20 0 EDADLP C[NH2+]CCC1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000262089562 139250098 /nfs/dbraw/zinc/25/00/98/139250098.db2.gz RPFMAKOBTDPCDI-UHFFFAOYSA-N 2 2 345.487 1.981 20 0 EDADLP CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000262134117 139253843 /nfs/dbraw/zinc/25/38/43/139253843.db2.gz DHINLRGFTDZIIN-UONOGXRCSA-N 2 2 349.479 1.447 20 0 EDADLP CC(C)(C)c1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000262134117 139253844 /nfs/dbraw/zinc/25/38/44/139253844.db2.gz DHINLRGFTDZIIN-UONOGXRCSA-N 2 2 349.479 1.447 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000262156437 139255966 /nfs/dbraw/zinc/25/59/66/139255966.db2.gz IBFJJHDQLVWNEO-PBHICJAKSA-N 2 2 328.416 1.119 20 0 EDADLP C[C@@H](NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000416832806 251112043 /nfs/dbraw/zinc/11/20/43/251112043.db2.gz WRBFVKWUBKURNS-XQQFMLRXSA-N 2 2 326.466 1.156 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000416998969 251125592 /nfs/dbraw/zinc/12/55/92/251125592.db2.gz SZHQHIFNICJHTC-HNNXBMFYSA-N 2 2 349.385 1.728 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000417270574 251152673 /nfs/dbraw/zinc/15/26/73/251152673.db2.gz OFTMPIRNQQFEEY-AWEZNQCLSA-N 2 2 331.395 1.905 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417522632 251183004 /nfs/dbraw/zinc/18/30/04/251183004.db2.gz AHQIMVBTHNWTLC-QGZVFWFLSA-N 2 2 347.507 1.183 20 0 EDADLP CN(CC[NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417587019 251198701 /nfs/dbraw/zinc/19/87/01/251198701.db2.gz ROROUPAXGNGKFE-LBPRGKRZSA-N 2 2 326.391 1.529 20 0 EDADLP CN(CC[NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417587019 251198703 /nfs/dbraw/zinc/19/87/03/251198703.db2.gz ROROUPAXGNGKFE-LBPRGKRZSA-N 2 2 326.391 1.529 20 0 EDADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417831152 251288210 /nfs/dbraw/zinc/28/82/10/251288210.db2.gz KEEVAULEQKVDBA-OCCSQVGLSA-N 2 2 336.386 1.399 20 0 EDADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417838505 251292478 /nfs/dbraw/zinc/29/24/78/251292478.db2.gz JHYUBRIMDOBPDO-RDJZCZTQSA-N 2 2 341.459 1.923 20 0 EDADLP C[NH2+][C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000262505809 139283131 /nfs/dbraw/zinc/28/31/31/139283131.db2.gz JCSPIYKPTCMLKP-QGZVFWFLSA-N 2 2 327.432 1.025 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000417944571 251317596 /nfs/dbraw/zinc/31/75/96/251317596.db2.gz CMOYQQDUYUHIHX-KCPJHIHWSA-N 2 2 340.855 1.358 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000417944571 251317599 /nfs/dbraw/zinc/31/75/99/251317599.db2.gz CMOYQQDUYUHIHX-KCPJHIHWSA-N 2 2 340.855 1.358 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418426908 251367957 /nfs/dbraw/zinc/36/79/57/251367957.db2.gz KPAXQGWUJUJPOB-QGZVFWFLSA-N 2 2 339.443 1.922 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2)cs1 ZINC000418716226 251394473 /nfs/dbraw/zinc/39/44/73/251394473.db2.gz ZNRILVNDSFMQNW-NEPJUHHUSA-N 2 2 325.482 1.405 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2)cs1 ZINC000418716226 251394477 /nfs/dbraw/zinc/39/44/77/251394477.db2.gz ZNRILVNDSFMQNW-NEPJUHHUSA-N 2 2 325.482 1.405 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418718213 251395360 /nfs/dbraw/zinc/39/53/60/251395360.db2.gz DDEGBQPKPXVFRW-UONOGXRCSA-N 2 2 332.439 1.747 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418718213 251395363 /nfs/dbraw/zinc/39/53/63/251395363.db2.gz DDEGBQPKPXVFRW-UONOGXRCSA-N 2 2 332.439 1.747 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418582921 251379589 /nfs/dbraw/zinc/37/95/89/251379589.db2.gz AOPNJMGODFAORK-MAUKXSAKSA-N 2 2 345.491 1.987 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000262621225 139290843 /nfs/dbraw/zinc/29/08/43/139290843.db2.gz FBKWXRJLACYHFM-INMHGKMJSA-N 2 2 333.476 1.999 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000420163910 251625116 /nfs/dbraw/zinc/62/51/16/251625116.db2.gz LKJDSXIQWSYQSP-KBPBESRZSA-N 2 2 347.463 1.010 20 0 EDADLP O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cccc(C[NH+]5CCOCC5)c4)[C@H]1[C@H]3C2 ZINC000420966490 251794848 /nfs/dbraw/zinc/79/48/48/251794848.db2.gz QXRGSPZHBNJDRE-VYJAJWGXSA-N 2 2 328.456 1.720 20 0 EDADLP O[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cccc(C[NH+]5CCOCC5)c4)[C@H]1[C@H]3C2 ZINC000420966490 251794850 /nfs/dbraw/zinc/79/48/50/251794850.db2.gz QXRGSPZHBNJDRE-VYJAJWGXSA-N 2 2 328.456 1.720 20 0 EDADLP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000262841283 139307308 /nfs/dbraw/zinc/30/73/08/139307308.db2.gz TYCGPZRHNZZQDY-HNNXBMFYSA-N 2 2 340.431 1.165 20 0 EDADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422890246 252013552 /nfs/dbraw/zinc/01/35/52/252013552.db2.gz HZBDOSIGGRXRAL-FXAWDEMLSA-N 3 2 330.520 1.912 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000423344898 252047513 /nfs/dbraw/zinc/04/75/13/252047513.db2.gz FNKDAAWNUAKTIJ-AWEZNQCLSA-N 2 2 342.399 1.715 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1OCC(=O)N(C)C ZINC000423515074 252058272 /nfs/dbraw/zinc/05/82/72/252058272.db2.gz FAACYMJKMCIILF-ZBFHGGJFSA-N 2 2 335.448 1.183 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000423864802 252095287 /nfs/dbraw/zinc/09/52/87/252095287.db2.gz ZMVHWZFJUGPELF-CVEARBPZSA-N 2 2 331.460 1.728 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000423864802 252095291 /nfs/dbraw/zinc/09/52/91/252095291.db2.gz ZMVHWZFJUGPELF-CVEARBPZSA-N 2 2 331.460 1.728 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000423864767 252096629 /nfs/dbraw/zinc/09/66/29/252096629.db2.gz ZIDCPUXRUSCXMX-JKSUJKDBSA-N 2 2 333.476 1.974 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000423864767 252096634 /nfs/dbraw/zinc/09/66/34/252096634.db2.gz ZIDCPUXRUSCXMX-JKSUJKDBSA-N 2 2 333.476 1.974 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262937604 139313945 /nfs/dbraw/zinc/31/39/45/139313945.db2.gz ILPQJDZYAHQONQ-GJZGRUSLSA-N 2 2 339.386 1.001 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262937604 139313946 /nfs/dbraw/zinc/31/39/46/139313946.db2.gz ILPQJDZYAHQONQ-GJZGRUSLSA-N 2 2 339.386 1.001 20 0 EDADLP Cn1cc([C@@H]2CN(Cc3[nH+]ccn3CC(F)(F)F)C[C@H]2[NH3+])cn1 ZINC000424296629 252192558 /nfs/dbraw/zinc/19/25/58/252192558.db2.gz QVHOMGQJOCTVCX-NWDGAFQWSA-N 2 2 328.342 1.106 20 0 EDADLP Cc1cnn(C[C@H]2C[N@H+](C[C@H](C[NH3+])c3ccc(F)cc3)CCO2)c1 ZINC000424303570 252194419 /nfs/dbraw/zinc/19/44/19/252194419.db2.gz OHKCVXROFVMDGL-FUHWJXTLSA-N 2 2 332.423 1.774 20 0 EDADLP Cc1cnn(C[C@H]2C[N@@H+](C[C@H](C[NH3+])c3ccc(F)cc3)CCO2)c1 ZINC000424303570 252194423 /nfs/dbraw/zinc/19/44/23/252194423.db2.gz OHKCVXROFVMDGL-FUHWJXTLSA-N 2 2 332.423 1.774 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCCc3sccc32)CN1CC[NH+]1CCOCC1 ZINC000271569410 296348354 /nfs/dbraw/zinc/34/83/54/296348354.db2.gz ZALIJGXVOGOOEK-HOCLYGCPSA-N 2 2 349.500 1.648 20 0 EDADLP COCC[NH2+]CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000163606635 285077025 /nfs/dbraw/zinc/07/70/25/285077025.db2.gz KAUPKGZZIJZPTL-GFCCVEGCSA-N 2 2 326.466 1.550 20 0 EDADLP COCC[NH2+]CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000163606635 285077026 /nfs/dbraw/zinc/07/70/26/285077026.db2.gz KAUPKGZZIJZPTL-GFCCVEGCSA-N 2 2 326.466 1.550 20 0 EDADLP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000263229844 139329729 /nfs/dbraw/zinc/32/97/29/139329729.db2.gz NGQIQXHTPQQVSL-WBVHZDCISA-N 2 2 347.846 1.984 20 0 EDADLP CC[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)CC1 ZINC000344861495 285192200 /nfs/dbraw/zinc/19/22/00/285192200.db2.gz ZGHXGGQRBWHESJ-LPHOPBHVSA-N 3 2 345.491 1.689 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH+]1Cc1cccs1 ZINC000487277492 255028680 /nfs/dbraw/zinc/02/86/80/255028680.db2.gz GGEWPRXOCWCAGU-HOSILWTGSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH+]1Cc1cccs1 ZINC000487277492 255028681 /nfs/dbraw/zinc/02/86/81/255028681.db2.gz GGEWPRXOCWCAGU-HOSILWTGSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000487277492 255028682 /nfs/dbraw/zinc/02/86/82/255028682.db2.gz GGEWPRXOCWCAGU-HOSILWTGSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000487277492 255028683 /nfs/dbraw/zinc/02/86/83/255028683.db2.gz GGEWPRXOCWCAGU-HOSILWTGSA-N 2 2 339.480 1.974 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000492537112 255178158 /nfs/dbraw/zinc/17/81/58/255178158.db2.gz QEJXSYQSPWORKY-AATRIKPKSA-N 2 2 343.431 1.568 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493872608 255224010 /nfs/dbraw/zinc/22/40/10/255224010.db2.gz SISBFGHPPAHTFA-YIEVGGLXSA-N 2 2 325.416 1.798 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493872608 255224011 /nfs/dbraw/zinc/22/40/11/255224011.db2.gz SISBFGHPPAHTFA-YIEVGGLXSA-N 2 2 325.416 1.798 20 0 EDADLP CC[C@@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000495202273 255272668 /nfs/dbraw/zinc/27/26/68/255272668.db2.gz MVJTTYQDBJFMKP-QGZVFWFLSA-N 2 2 337.489 1.239 20 0 EDADLP CC[C@@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000495202273 255272669 /nfs/dbraw/zinc/27/26/69/255272669.db2.gz MVJTTYQDBJFMKP-QGZVFWFLSA-N 2 2 337.489 1.239 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC[C@H](C)C2)CCO1 ZINC000494660185 255256687 /nfs/dbraw/zinc/25/66/87/255256687.db2.gz FAEBJIAJRVBALG-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC[C@H](C)C2)CCO1 ZINC000494660185 255256688 /nfs/dbraw/zinc/25/66/88/255256688.db2.gz FAEBJIAJRVBALG-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000494660185 255256689 /nfs/dbraw/zinc/25/66/89/255256689.db2.gz FAEBJIAJRVBALG-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000494660185 255256690 /nfs/dbraw/zinc/25/66/90/255256690.db2.gz FAEBJIAJRVBALG-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CN(C[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2)C(=O)OC(C)(C)C ZINC000496115352 255354221 /nfs/dbraw/zinc/35/42/21/255354221.db2.gz PKIBMXKOGJTERC-AWEZNQCLSA-N 2 2 338.452 1.537 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496361425 255386672 /nfs/dbraw/zinc/38/66/72/255386672.db2.gz KYJSGTQORMXARQ-YOEHRIQHSA-N 2 2 329.485 1.536 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496361425 255386673 /nfs/dbraw/zinc/38/66/73/255386673.db2.gz KYJSGTQORMXARQ-YOEHRIQHSA-N 2 2 329.485 1.536 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496361425 255386674 /nfs/dbraw/zinc/38/66/74/255386674.db2.gz KYJSGTQORMXARQ-YOEHRIQHSA-N 2 2 329.485 1.536 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496361425 255386675 /nfs/dbraw/zinc/38/66/75/255386675.db2.gz KYJSGTQORMXARQ-YOEHRIQHSA-N 2 2 329.485 1.536 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496218593 255366028 /nfs/dbraw/zinc/36/60/28/255366028.db2.gz UVBPQPWWPKQVKR-CGTJXYLNSA-N 2 2 347.459 1.754 20 0 EDADLP CCCn1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000116913326 221011089 /nfs/dbraw/zinc/01/10/89/221011089.db2.gz WICRTLPEDSLRQQ-LJQANCHMSA-N 2 2 328.460 1.802 20 0 EDADLP CCCn1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000116913326 221011092 /nfs/dbraw/zinc/01/10/92/221011092.db2.gz WICRTLPEDSLRQQ-LJQANCHMSA-N 2 2 328.460 1.802 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000117774867 221088504 /nfs/dbraw/zinc/08/85/04/221088504.db2.gz VHCMTIXXSQUYDR-OAHLLOKOSA-N 2 2 346.475 1.524 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264247701 139390053 /nfs/dbraw/zinc/39/00/53/139390053.db2.gz YBXFYAVJPJCAJP-QGZVFWFLSA-N 2 2 341.459 1.784 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264247701 139390054 /nfs/dbraw/zinc/39/00/54/139390054.db2.gz YBXFYAVJPJCAJP-QGZVFWFLSA-N 2 2 341.459 1.784 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181094495 533318037 /nfs/dbraw/zinc/31/80/37/533318037.db2.gz DHSHQCOGPNVKHA-UHFFFAOYSA-N 2 2 330.388 1.170 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181094495 533318042 /nfs/dbraw/zinc/31/80/42/533318042.db2.gz DHSHQCOGPNVKHA-UHFFFAOYSA-N 2 2 330.388 1.170 20 0 EDADLP C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000154853538 533568410 /nfs/dbraw/zinc/56/84/10/533568410.db2.gz SVLZFGREFSDCSJ-CZUORRHYSA-N 2 2 338.415 1.947 20 0 EDADLP C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000154853538 533568413 /nfs/dbraw/zinc/56/84/13/533568413.db2.gz SVLZFGREFSDCSJ-CZUORRHYSA-N 2 2 338.415 1.947 20 0 EDADLP C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)[C@H](C)[NH+]1CCOCC1 ZINC000571694416 306572152 /nfs/dbraw/zinc/57/21/52/306572152.db2.gz OTRBLXCWFKEISA-KBPBESRZSA-N 2 2 336.436 1.109 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](CO)c2ccccc2)CC1 ZINC000270368368 140087275 /nfs/dbraw/zinc/08/72/75/140087275.db2.gz HGPBRVHXIPVVIB-QGZVFWFLSA-N 2 2 334.464 1.045 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[NH+]3CCC(C)CC3)ccc2[nH+]1 ZINC000271596445 140317458 /nfs/dbraw/zinc/31/74/58/140317458.db2.gz WJWSOYAZVRHDST-UHFFFAOYSA-N 2 2 343.431 1.429 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)ccc2[nH+]1 ZINC000271617297 140320971 /nfs/dbraw/zinc/32/09/71/140320971.db2.gz HUFZKOBCBXJHNW-ZFWWWQNUSA-N 2 2 343.431 1.570 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000332523241 141195786 /nfs/dbraw/zinc/19/57/86/141195786.db2.gz AVWDIJPVTFGGOS-BFYDXBDKSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000332811616 141238700 /nfs/dbraw/zinc/23/87/00/141238700.db2.gz MMCKTXNRIAGRFV-BZUAXINKSA-N 2 2 347.463 1.265 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC([C@@H]4CCC[NH2+]4)CC3)[nH+]cn2)C1 ZINC000333608526 141344319 /nfs/dbraw/zinc/34/43/19/141344319.db2.gz XQLQVWFZKFZUOC-WBVHZDCISA-N 2 2 345.491 1.654 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC([C@@H]4CCC[NH2+]4)CC3)nc[nH+]2)C1 ZINC000333608526 141344321 /nfs/dbraw/zinc/34/43/21/141344321.db2.gz XQLQVWFZKFZUOC-WBVHZDCISA-N 2 2 345.491 1.654 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333645792 141349842 /nfs/dbraw/zinc/34/98/42/141349842.db2.gz VBIDZUGULOEAQO-OAHLLOKOSA-N 2 2 331.464 1.936 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)s1 ZINC000333708300 141362789 /nfs/dbraw/zinc/36/27/89/141362789.db2.gz RWGLFQGLOSTRMM-KBPBESRZSA-N 2 2 337.493 1.406 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@H]21 ZINC000333723269 141366329 /nfs/dbraw/zinc/36/63/29/141366329.db2.gz VAHAJIPXPMPKRW-SJORKVTESA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@H]21 ZINC000333723269 141366331 /nfs/dbraw/zinc/36/63/31/141366331.db2.gz VAHAJIPXPMPKRW-SJORKVTESA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000333831630 141390181 /nfs/dbraw/zinc/39/01/81/141390181.db2.gz MQAKYGDOCBUHHZ-CQSZACIVSA-N 2 2 337.493 1.278 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C[C@@H](C)O1 ZINC000339539882 142071092 /nfs/dbraw/zinc/07/10/92/142071092.db2.gz IXIKIORNCBBMEV-OAGGEKHMSA-N 2 2 349.479 1.418 20 0 EDADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000339865461 142182748 /nfs/dbraw/zinc/18/27/48/142182748.db2.gz KXGZTDJTTWFWMP-CVEARBPZSA-N 2 2 325.497 1.676 20 0 EDADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000339865461 142182749 /nfs/dbraw/zinc/18/27/49/142182749.db2.gz KXGZTDJTTWFWMP-CVEARBPZSA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)C(=O)NCC[NH+](C)C ZINC000340404314 142379090 /nfs/dbraw/zinc/37/90/90/142379090.db2.gz AUOHZGMGRZNVOF-OAHLLOKOSA-N 2 2 345.447 1.157 20 0 EDADLP CC(C)(C)c1ncc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000342796420 142757187 /nfs/dbraw/zinc/75/71/87/142757187.db2.gz YPBBWMZVPQDMJA-UHFFFAOYSA-N 2 2 331.508 1.988 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCC(=O)N[C@@H]2c2ccnn2C)c[nH+]1 ZINC000345024046 143040610 /nfs/dbraw/zinc/04/06/10/143040610.db2.gz XKHMQCFWIQMZTQ-QAPCUYQASA-N 2 2 327.432 1.666 20 0 EDADLP CNC(=O)[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC000345026428 143040964 /nfs/dbraw/zinc/04/09/64/143040964.db2.gz ZKRHPHBVXVKOIB-JKSUJKDBSA-N 2 2 338.415 1.029 20 0 EDADLP CNC(=O)[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC000345026428 143040965 /nfs/dbraw/zinc/04/09/65/143040965.db2.gz ZKRHPHBVXVKOIB-JKSUJKDBSA-N 2 2 338.415 1.029 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000345515756 143100923 /nfs/dbraw/zinc/10/09/23/143100923.db2.gz BYLHSUMLWVMTRZ-OAHLLOKOSA-N 2 2 328.416 1.631 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)C1 ZINC000345515756 143100924 /nfs/dbraw/zinc/10/09/24/143100924.db2.gz BYLHSUMLWVMTRZ-OAHLLOKOSA-N 2 2 328.416 1.631 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000345715562 143124658 /nfs/dbraw/zinc/12/46/58/143124658.db2.gz IWUVYCJSNDDANE-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000345715562 143124659 /nfs/dbraw/zinc/12/46/59/143124659.db2.gz IWUVYCJSNDDANE-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000345761764 143130377 /nfs/dbraw/zinc/13/03/77/143130377.db2.gz OAMNYIBXIAQYIM-ABFRBSLYSA-N 2 2 328.460 1.753 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000345761764 143130378 /nfs/dbraw/zinc/13/03/78/143130378.db2.gz OAMNYIBXIAQYIM-ABFRBSLYSA-N 2 2 328.460 1.753 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000346174510 143175170 /nfs/dbraw/zinc/17/51/70/143175170.db2.gz BEFCEIKUXYRMPH-GASCZTMLSA-N 2 2 347.507 1.554 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000346174510 143175171 /nfs/dbraw/zinc/17/51/71/143175171.db2.gz BEFCEIKUXYRMPH-GASCZTMLSA-N 2 2 347.507 1.554 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000346373274 143198011 /nfs/dbraw/zinc/19/80/11/143198011.db2.gz NYMYCUZKFHSURZ-IYBDPMFKSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000346373274 143198012 /nfs/dbraw/zinc/19/80/12/143198012.db2.gz NYMYCUZKFHSURZ-IYBDPMFKSA-N 2 2 341.496 1.103 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000346386295 143199514 /nfs/dbraw/zinc/19/95/14/143199514.db2.gz NVRDELRUXPMFKN-UHFFFAOYSA-N 2 2 334.464 1.660 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000346386295 143199515 /nfs/dbraw/zinc/19/95/15/143199515.db2.gz NVRDELRUXPMFKN-UHFFFAOYSA-N 2 2 334.464 1.660 20 0 EDADLP O=C(CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000346840491 143250643 /nfs/dbraw/zinc/25/06/43/143250643.db2.gz ZZWXPDNGDVIAQQ-HNNXBMFYSA-N 2 2 334.439 1.381 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000346896003 143257390 /nfs/dbraw/zinc/25/73/90/143257390.db2.gz CNJQNFPIRLSTFX-DZGCQCFKSA-N 2 2 337.468 1.527 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)[NH+](CC)CC ZINC000346949055 143265248 /nfs/dbraw/zinc/26/52/48/143265248.db2.gz MAWCOGXKDDVRPN-CABCVRRESA-N 2 2 348.495 1.724 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)[NH+](CC)CC ZINC000346949055 143265249 /nfs/dbraw/zinc/26/52/49/143265249.db2.gz MAWCOGXKDDVRPN-CABCVRRESA-N 2 2 348.495 1.724 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C)Cn1cc[nH+]c1 ZINC000347009990 143270901 /nfs/dbraw/zinc/27/09/01/143270901.db2.gz HWQQMWLTOUOCEG-OWCLPIDISA-N 2 2 327.432 1.803 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2cn3c(cccc3C)[nH+]2)[N@H+](C)C1 ZINC000347012025 143271203 /nfs/dbraw/zinc/27/12/03/143271203.db2.gz LMUQAZTYVZQLEE-HZPDHXFCSA-N 2 2 345.447 1.503 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2cn3c(cccc3C)[nH+]2)[N@@H+](C)C1 ZINC000347012025 143271204 /nfs/dbraw/zinc/27/12/04/143271204.db2.gz LMUQAZTYVZQLEE-HZPDHXFCSA-N 2 2 345.447 1.503 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347138342 143286741 /nfs/dbraw/zinc/28/67/41/143286741.db2.gz XKMGMSQQUPGFFS-QRVBRYPASA-N 2 2 345.487 1.577 20 0 EDADLP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000347138342 143286742 /nfs/dbraw/zinc/28/67/42/143286742.db2.gz XKMGMSQQUPGFFS-QRVBRYPASA-N 2 2 345.487 1.577 20 0 EDADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCOCC2)c1 ZINC000347629813 143343059 /nfs/dbraw/zinc/34/30/59/143343059.db2.gz LWOMNZYIUYIGAU-INIZCTEOSA-N 2 2 333.476 1.864 20 0 EDADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCOCC2)c1 ZINC000347629813 143343060 /nfs/dbraw/zinc/34/30/60/143343060.db2.gz LWOMNZYIUYIGAU-INIZCTEOSA-N 2 2 333.476 1.864 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H](O)c3ccc(C)cc3)CC2)C1 ZINC000369781582 155175930 /nfs/dbraw/zinc/17/59/30/155175930.db2.gz HGCMPCRWSHPPRT-UXHICEINSA-N 2 2 347.503 1.367 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCC(C)(C)CO)C2)CC1 ZINC000369853218 155205141 /nfs/dbraw/zinc/20/51/41/155205141.db2.gz VJLDGNMOKPUJSN-HNNXBMFYSA-N 2 2 340.512 1.253 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCC(C)(C)CO)C2)CC1 ZINC000369853218 155205146 /nfs/dbraw/zinc/20/51/46/155205146.db2.gz VJLDGNMOKPUJSN-HNNXBMFYSA-N 2 2 340.512 1.253 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416891465 304353503 /nfs/dbraw/zinc/35/35/03/304353503.db2.gz NKHZTWLMQVGWHW-NVXWUHKLSA-N 2 2 334.464 1.215 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC1 ZINC000353041194 149264249 /nfs/dbraw/zinc/26/42/49/149264249.db2.gz SLQYDRFYLZXXFV-GOSISDBHSA-N 2 2 326.444 1.930 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000353265191 149344738 /nfs/dbraw/zinc/34/47/38/149344738.db2.gz WJZWVWREXIBDNH-OAHLLOKOSA-N 2 2 329.448 1.544 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000353265191 149344740 /nfs/dbraw/zinc/34/47/40/149344740.db2.gz WJZWVWREXIBDNH-OAHLLOKOSA-N 2 2 329.448 1.544 20 0 EDADLP C[C@@H]1CN(C(=O)NCCn2cccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355071800 150103345 /nfs/dbraw/zinc/10/33/45/150103345.db2.gz OLZZQXAGWDVKQK-MRXNPFEDSA-N 2 2 333.480 1.298 20 0 EDADLP C[C@@H]1CN(C(=O)NCCn2cccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355071800 150103348 /nfs/dbraw/zinc/10/33/48/150103348.db2.gz OLZZQXAGWDVKQK-MRXNPFEDSA-N 2 2 333.480 1.298 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N3CCCC[C@H]3C[NH3+])c[nH+]2)CCO1 ZINC000416984068 304361591 /nfs/dbraw/zinc/36/15/91/304361591.db2.gz JTZBARZBBDYPIP-HOCLYGCPSA-N 2 2 347.463 1.330 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000355501837 150294438 /nfs/dbraw/zinc/29/44/38/150294438.db2.gz CZBLYFOEWKBIBI-IIAWOOMASA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000355501837 150294441 /nfs/dbraw/zinc/29/44/41/150294441.db2.gz CZBLYFOEWKBIBI-IIAWOOMASA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000355501837 150294448 /nfs/dbraw/zinc/29/44/48/150294448.db2.gz CZBLYFOEWKBIBI-IIAWOOMASA-N 2 2 349.479 1.034 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCCSC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355511014 150298389 /nfs/dbraw/zinc/29/83/89/150298389.db2.gz NFDMWDGOOBAZHW-GJZGRUSLSA-N 2 2 325.522 1.757 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCCSC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355511014 150298393 /nfs/dbraw/zinc/29/83/93/150298393.db2.gz NFDMWDGOOBAZHW-GJZGRUSLSA-N 2 2 325.522 1.757 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(C[NH+](C)C)on2)C[C@H](C)O1 ZINC000355698801 150364628 /nfs/dbraw/zinc/36/46/28/150364628.db2.gz GPCZEGPAWBKPCK-BETUJISGSA-N 2 2 338.452 1.354 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(C[NH+](C)C)on2)C[C@H](C)O1 ZINC000355698801 150364631 /nfs/dbraw/zinc/36/46/31/150364631.db2.gz GPCZEGPAWBKPCK-BETUJISGSA-N 2 2 338.452 1.354 20 0 EDADLP CC(C)(CCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417048458 304366418 /nfs/dbraw/zinc/36/64/18/304366418.db2.gz ZZUHEDSNFPFRFM-KRWDZBQOSA-N 2 2 348.491 1.877 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000357482713 151045006 /nfs/dbraw/zinc/04/50/06/151045006.db2.gz JOWABYZIZUJTNK-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000357482713 151045007 /nfs/dbraw/zinc/04/50/07/151045007.db2.gz JOWABYZIZUJTNK-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000357482713 151045009 /nfs/dbraw/zinc/04/50/09/151045009.db2.gz JOWABYZIZUJTNK-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000357482713 151045011 /nfs/dbraw/zinc/04/50/11/151045011.db2.gz JOWABYZIZUJTNK-DLBZAZTESA-N 2 2 337.508 1.866 20 0 EDADLP C[N@H+](CCCOc1ccc2c(c1)OCO2)C1CC[NH+](CCO)CC1 ZINC000357645799 151098929 /nfs/dbraw/zinc/09/89/29/151098929.db2.gz FYNTZDQJPLSRKW-UHFFFAOYSA-N 2 2 336.432 1.573 20 0 EDADLP C[N@@H+](CCCOc1ccc2c(c1)OCO2)C1CC[NH+](CCO)CC1 ZINC000357645799 151098931 /nfs/dbraw/zinc/09/89/31/151098931.db2.gz FYNTZDQJPLSRKW-UHFFFAOYSA-N 2 2 336.432 1.573 20 0 EDADLP CN(C)c1nc(N(C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cc[nH+]1 ZINC000357690587 151117408 /nfs/dbraw/zinc/11/74/08/151117408.db2.gz ZZVZFGYHDMRLIY-UONOGXRCSA-N 2 2 347.442 1.325 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)C2CC[NH+](CC(F)F)CC2)C[C@H](C)O1 ZINC000358081723 151263586 /nfs/dbraw/zinc/26/35/86/151263586.db2.gz LXPIWJARIRAHRS-OKILXGFUSA-N 2 2 347.450 1.579 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)C2CC[NH+](CC(F)F)CC2)C[C@H](C)O1 ZINC000358081723 151263587 /nfs/dbraw/zinc/26/35/87/151263587.db2.gz LXPIWJARIRAHRS-OKILXGFUSA-N 2 2 347.450 1.579 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417081141 304370935 /nfs/dbraw/zinc/37/09/35/304370935.db2.gz SRZNXZYZCIBWPV-QGZVFWFLSA-N 2 2 327.432 1.873 20 0 EDADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc(Br)c1O ZINC000358132930 151283015 /nfs/dbraw/zinc/28/30/15/151283015.db2.gz HQCQGWHTAOIDTJ-AWEZNQCLSA-N 2 2 345.237 1.320 20 0 EDADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc(Br)c1O ZINC000358132930 151283019 /nfs/dbraw/zinc/28/30/19/151283019.db2.gz HQCQGWHTAOIDTJ-AWEZNQCLSA-N 2 2 345.237 1.320 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CCO1 ZINC000358131363 151283284 /nfs/dbraw/zinc/28/32/84/151283284.db2.gz APQXRZMFJWDOLK-ZDUSSCGKSA-N 2 2 331.338 1.694 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CCO1 ZINC000358131363 151283285 /nfs/dbraw/zinc/28/32/85/151283285.db2.gz APQXRZMFJWDOLK-ZDUSSCGKSA-N 2 2 331.338 1.694 20 0 EDADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358264798 151320423 /nfs/dbraw/zinc/32/04/23/151320423.db2.gz ZDCTXNTXEKAMSV-RBUKOAKNSA-N 2 2 333.476 1.025 20 0 EDADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358264798 151320426 /nfs/dbraw/zinc/32/04/26/151320426.db2.gz ZDCTXNTXEKAMSV-RBUKOAKNSA-N 2 2 333.476 1.025 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000358264439 151320524 /nfs/dbraw/zinc/32/05/24/151320524.db2.gz IIORGKZNKJBHCY-BZPMIXESSA-N 2 2 343.265 1.729 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000358264439 151320528 /nfs/dbraw/zinc/32/05/28/151320528.db2.gz IIORGKZNKJBHCY-BZPMIXESSA-N 2 2 343.265 1.729 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000358295027 151328286 /nfs/dbraw/zinc/32/82/86/151328286.db2.gz OFNYVFCNZBOVBZ-INIZCTEOSA-N 2 2 334.464 1.981 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000358295027 151328288 /nfs/dbraw/zinc/32/82/88/151328288.db2.gz OFNYVFCNZBOVBZ-INIZCTEOSA-N 2 2 334.464 1.981 20 0 EDADLP COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC000343752987 286258971 /nfs/dbraw/zinc/25/89/71/286258971.db2.gz BVDWZVYMSBMLDN-PBHICJAKSA-N 2 2 333.476 1.602 20 0 EDADLP COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC000343752987 286258972 /nfs/dbraw/zinc/25/89/72/286258972.db2.gz BVDWZVYMSBMLDN-PBHICJAKSA-N 2 2 333.476 1.602 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370116805 155331567 /nfs/dbraw/zinc/33/15/67/155331567.db2.gz LLCTYRHEMOCJRJ-MRXNPFEDSA-N 2 2 342.447 1.751 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370116805 155331569 /nfs/dbraw/zinc/33/15/69/155331569.db2.gz LLCTYRHEMOCJRJ-MRXNPFEDSA-N 2 2 342.447 1.751 20 0 EDADLP CN(C)c1nc(N2CC[NH+](CCCc3ccncc3)CC2)cc[nH+]1 ZINC000360457032 152050674 /nfs/dbraw/zinc/05/06/74/152050674.db2.gz TVHGDYNPYIFRFN-UHFFFAOYSA-N 2 2 326.448 1.692 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCCOc1ccc(Cl)cc1 ZINC000360562164 152097557 /nfs/dbraw/zinc/09/75/57/152097557.db2.gz LHUKQJPEJVPLQH-KRWDZBQOSA-N 2 2 337.851 1.520 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCCOc1ccc(Cl)cc1 ZINC000360562164 152097560 /nfs/dbraw/zinc/09/75/60/152097560.db2.gz LHUKQJPEJVPLQH-KRWDZBQOSA-N 2 2 337.851 1.520 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000360569256 152101289 /nfs/dbraw/zinc/10/12/89/152101289.db2.gz MLGQQJBLCDZDPE-LIRRHRJNSA-N 2 2 349.450 1.867 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000360569256 152101291 /nfs/dbraw/zinc/10/12/91/152101291.db2.gz MLGQQJBLCDZDPE-LIRRHRJNSA-N 2 2 349.450 1.867 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359286011 286302200 /nfs/dbraw/zinc/30/22/00/286302200.db2.gz MGEHUSKLEXAKLT-CWRNSKLLSA-N 2 2 347.459 1.202 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359286011 286302203 /nfs/dbraw/zinc/30/22/03/286302203.db2.gz MGEHUSKLEXAKLT-CWRNSKLLSA-N 2 2 347.459 1.202 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[nH+]1 ZINC000360779609 152200408 /nfs/dbraw/zinc/20/04/08/152200408.db2.gz AZAADCPXVYCFAD-CQSZACIVSA-N 2 2 328.420 1.009 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH+]1 ZINC000360779609 152200411 /nfs/dbraw/zinc/20/04/11/152200411.db2.gz AZAADCPXVYCFAD-CQSZACIVSA-N 2 2 328.420 1.009 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000370130661 155341629 /nfs/dbraw/zinc/34/16/29/155341629.db2.gz FLAUNPCXNQXRMM-GOSISDBHSA-N 2 2 335.492 1.478 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000370130661 155341634 /nfs/dbraw/zinc/34/16/34/155341634.db2.gz FLAUNPCXNQXRMM-GOSISDBHSA-N 2 2 335.492 1.478 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)[C@H](C)C1 ZINC000360857619 152231456 /nfs/dbraw/zinc/23/14/56/152231456.db2.gz HUFLMRBHPBERRW-HUUCEWRRSA-N 2 2 337.468 1.356 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)[C@H](C)C1 ZINC000360857619 152231458 /nfs/dbraw/zinc/23/14/58/152231458.db2.gz HUFLMRBHPBERRW-HUUCEWRRSA-N 2 2 337.468 1.356 20 0 EDADLP Cc1c([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000361184441 152328341 /nfs/dbraw/zinc/32/83/41/152328341.db2.gz QCIGFAOWIHQSRV-HZPDHXFCSA-N 2 2 342.491 1.862 20 0 EDADLP CNC(=O)[C@@H]1C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000361354587 152369990 /nfs/dbraw/zinc/36/99/90/152369990.db2.gz KMLSSWHJLAZDAG-SFHVURJKSA-N 2 2 344.459 1.962 20 0 EDADLP CNC(=O)[C@@H]1C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000361354587 152369992 /nfs/dbraw/zinc/36/99/92/152369992.db2.gz KMLSSWHJLAZDAG-SFHVURJKSA-N 2 2 344.459 1.962 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)COC(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000370158314 155353791 /nfs/dbraw/zinc/35/37/91/155353791.db2.gz FERRWNIOUGFQDB-HNNXBMFYSA-N 2 2 334.464 1.799 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[NH+](CC)CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370167005 155360536 /nfs/dbraw/zinc/36/05/36/155360536.db2.gz ZXASLQOMEIVYDR-INIZCTEOSA-N 3 2 347.507 1.716 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417169620 304380440 /nfs/dbraw/zinc/38/04/40/304380440.db2.gz BXKSJUFYFJFQHP-SFHVURJKSA-N 2 2 348.491 1.667 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC000363589871 153007608 /nfs/dbraw/zinc/00/76/08/153007608.db2.gz WOCAITXTESASFA-VYDXJSESSA-N 2 2 345.491 1.766 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ncnc2c1C[NH+](C)CC2 ZINC000363589871 153007609 /nfs/dbraw/zinc/00/76/09/153007609.db2.gz WOCAITXTESASFA-VYDXJSESSA-N 2 2 345.491 1.766 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000363589871 153007615 /nfs/dbraw/zinc/00/76/15/153007615.db2.gz WOCAITXTESASFA-VYDXJSESSA-N 2 2 345.491 1.766 20 0 EDADLP C[C@H](C1CC1)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363618103 153014549 /nfs/dbraw/zinc/01/45/49/153014549.db2.gz QPAFJZIFYRIPKO-VQIMIIECSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](C1CC1)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000363618103 153014552 /nfs/dbraw/zinc/01/45/52/153014552.db2.gz QPAFJZIFYRIPKO-VQIMIIECSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](C1CC1)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363618103 153014553 /nfs/dbraw/zinc/01/45/53/153014553.db2.gz QPAFJZIFYRIPKO-VQIMIIECSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](C1CC1)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363618103 153014554 /nfs/dbraw/zinc/01/45/54/153014554.db2.gz QPAFJZIFYRIPKO-VQIMIIECSA-N 2 2 345.487 1.734 20 0 EDADLP Cc1n[nH]c(C2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000363684293 153028420 /nfs/dbraw/zinc/02/84/20/153028420.db2.gz XOKGZUYDSLFWCS-UHFFFAOYSA-N 2 2 348.495 1.282 20 0 EDADLP Cc1nc(C2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)n[nH]1 ZINC000363684293 153028422 /nfs/dbraw/zinc/02/84/22/153028422.db2.gz XOKGZUYDSLFWCS-UHFFFAOYSA-N 2 2 348.495 1.282 20 0 EDADLP Cc1nnc(C2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)[nH]1 ZINC000363684293 153028424 /nfs/dbraw/zinc/02/84/24/153028424.db2.gz XOKGZUYDSLFWCS-UHFFFAOYSA-N 2 2 348.495 1.282 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363771488 153052370 /nfs/dbraw/zinc/05/23/70/153052370.db2.gz FWQDOPRIMQCQNG-MRXNPFEDSA-N 3 2 335.496 1.178 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000363779137 153054151 /nfs/dbraw/zinc/05/41/51/153054151.db2.gz MBDCPQJXKCIKNR-HKUYNNGSSA-N 2 2 345.487 1.956 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000363809647 153063821 /nfs/dbraw/zinc/06/38/21/153063821.db2.gz BMSFDHBVAJGITO-YJBOKZPZSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000363809647 153063822 /nfs/dbraw/zinc/06/38/22/153063822.db2.gz BMSFDHBVAJGITO-YJBOKZPZSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000363993381 153116605 /nfs/dbraw/zinc/11/66/05/153116605.db2.gz CKQPZHHXRVDFGM-HUUCEWRRSA-N 2 2 328.420 1.597 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH3+])[NH+]2CCOCC2)cc1 ZINC000417189736 304382619 /nfs/dbraw/zinc/38/26/19/304382619.db2.gz YZAZZOSZEOPENU-RDJZCZTQSA-N 2 2 334.464 1.262 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c4ccccc34)C2)CC1 ZINC000364205785 153173275 /nfs/dbraw/zinc/17/32/75/153173275.db2.gz HYEZQMWBPPZCQF-MRXNPFEDSA-N 2 2 340.471 1.995 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c4ccccc34)C2)CC1 ZINC000364205785 153173278 /nfs/dbraw/zinc/17/32/78/153173278.db2.gz HYEZQMWBPPZCQF-MRXNPFEDSA-N 2 2 340.471 1.995 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000364247753 153186629 /nfs/dbraw/zinc/18/66/29/153186629.db2.gz JHSUUTZOWIRURI-BFYDXBDKSA-N 2 2 346.475 1.844 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000364461007 153243836 /nfs/dbraw/zinc/24/38/36/153243836.db2.gz KAGOYIMUFKTCRZ-SFHVURJKSA-N 2 2 345.487 1.989 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)C1(C)C ZINC000364602830 153284200 /nfs/dbraw/zinc/28/42/00/153284200.db2.gz QJWJXCNFSWDXTJ-CPUCHLNUSA-N 2 2 341.521 1.169 20 0 EDADLP C[N@H+](C[C@@H](O)Cn1cccn1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364692692 153304905 /nfs/dbraw/zinc/30/49/05/153304905.db2.gz ACEXOHNKJDVYPB-KSZLIROESA-N 2 2 329.448 1.264 20 0 EDADLP C[N@@H+](C[C@@H](O)Cn1cccn1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364692692 153304907 /nfs/dbraw/zinc/30/49/07/153304907.db2.gz ACEXOHNKJDVYPB-KSZLIROESA-N 2 2 329.448 1.264 20 0 EDADLP C[NH+](C[C@@H](O)Cn1cccn1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364692692 153304910 /nfs/dbraw/zinc/30/49/10/153304910.db2.gz ACEXOHNKJDVYPB-KSZLIROESA-N 2 2 329.448 1.264 20 0 EDADLP C[NH+](C[C@@H](O)Cn1cccn1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364692692 153304913 /nfs/dbraw/zinc/30/49/13/153304913.db2.gz ACEXOHNKJDVYPB-KSZLIROESA-N 2 2 329.448 1.264 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC1 ZINC000364875743 153357933 /nfs/dbraw/zinc/35/79/33/153357933.db2.gz DHRRMRBTILBYHY-UHFFFAOYSA-N 2 2 347.507 1.525 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC1 ZINC000364875743 153357934 /nfs/dbraw/zinc/35/79/34/153357934.db2.gz DHRRMRBTILBYHY-UHFFFAOYSA-N 2 2 347.507 1.525 20 0 EDADLP C[C@@H]1C[C@H](CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000364941468 153378014 /nfs/dbraw/zinc/37/80/14/153378014.db2.gz OSPDMIFBRJQXQS-QZTJIDSGSA-N 2 2 339.524 1.578 20 0 EDADLP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000364941468 153378017 /nfs/dbraw/zinc/37/80/17/153378017.db2.gz OSPDMIFBRJQXQS-QZTJIDSGSA-N 2 2 339.524 1.578 20 0 EDADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000365368227 153497046 /nfs/dbraw/zinc/49/70/46/153497046.db2.gz WEMDENVRQRTDGI-INIZCTEOSA-N 2 2 349.541 1.091 20 0 EDADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000365368227 153497049 /nfs/dbraw/zinc/49/70/49/153497049.db2.gz WEMDENVRQRTDGI-INIZCTEOSA-N 2 2 349.541 1.091 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2c[nH+]c3n2CCCC3)C[C@H](C)O1 ZINC000367073199 154000238 /nfs/dbraw/zinc/00/02/38/154000238.db2.gz JGVJTWCNFAKVBE-GASCZTMLSA-N 2 2 349.479 1.518 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCc2c[nH+]c3n2CCCC3)C[C@H](C)O1 ZINC000367073199 154000241 /nfs/dbraw/zinc/00/02/41/154000241.db2.gz JGVJTWCNFAKVBE-GASCZTMLSA-N 2 2 349.479 1.518 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)N1CC[NH+](C2CCC2)CC1 ZINC000367088968 154005536 /nfs/dbraw/zinc/00/55/36/154005536.db2.gz GAIYWYKFXHDPPG-IAGOWNOFSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)N1CC[NH+](C2CCC2)CC1 ZINC000367088968 154005537 /nfs/dbraw/zinc/00/55/37/154005537.db2.gz GAIYWYKFXHDPPG-IAGOWNOFSA-N 2 2 336.480 1.119 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc1 ZINC000367150612 154023209 /nfs/dbraw/zinc/02/32/09/154023209.db2.gz HROQVWCJJZJYCN-KRWDZBQOSA-N 2 2 332.448 1.080 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)nc1 ZINC000367150612 154023211 /nfs/dbraw/zinc/02/32/11/154023211.db2.gz HROQVWCJJZJYCN-KRWDZBQOSA-N 2 2 332.448 1.080 20 0 EDADLP CON(C)C(=O)CC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000367321768 154077076 /nfs/dbraw/zinc/07/70/76/154077076.db2.gz JQUQOVCAWSTFJJ-WFASDCNBSA-N 2 2 340.493 1.661 20 0 EDADLP CON(C)C(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000367321768 154077079 /nfs/dbraw/zinc/07/70/79/154077079.db2.gz JQUQOVCAWSTFJJ-WFASDCNBSA-N 2 2 340.493 1.661 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000367878479 154309688 /nfs/dbraw/zinc/30/96/88/154309688.db2.gz NYWSHJRBJQJERK-SFHVURJKSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000367878479 154309693 /nfs/dbraw/zinc/30/96/93/154309693.db2.gz NYWSHJRBJQJERK-SFHVURJKSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccc1F ZINC000367981115 154353706 /nfs/dbraw/zinc/35/37/06/154353706.db2.gz GNYROVFBCPWDKS-YJBOKZPZSA-N 2 2 349.450 1.800 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C2 ZINC000369529082 155074114 /nfs/dbraw/zinc/07/41/14/155074114.db2.gz BGQLNZPTIGEERC-INIZCTEOSA-N 2 2 349.479 1.382 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C2 ZINC000369529082 155074118 /nfs/dbraw/zinc/07/41/18/155074118.db2.gz BGQLNZPTIGEERC-INIZCTEOSA-N 2 2 349.479 1.382 20 0 EDADLP C[NH+](C)CCC1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000369552704 155083670 /nfs/dbraw/zinc/08/36/70/155083670.db2.gz RUYYGUUIHUNMHL-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+](C)CCC1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000369552704 155083671 /nfs/dbraw/zinc/08/36/71/155083671.db2.gz RUYYGUUIHUNMHL-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000371606346 156026929 /nfs/dbraw/zinc/02/69/29/156026929.db2.gz DWLHLWYFRWJWTE-ROUUACIJSA-N 2 2 330.476 1.670 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000371606346 156026933 /nfs/dbraw/zinc/02/69/33/156026933.db2.gz DWLHLWYFRWJWTE-ROUUACIJSA-N 2 2 330.476 1.670 20 0 EDADLP CCOc1cccc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000372417205 156379300 /nfs/dbraw/zinc/37/93/00/156379300.db2.gz UQCXIJYPHOQMQB-LJQANCHMSA-N 2 2 333.476 1.534 20 0 EDADLP CCOc1cccc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000372417205 156379301 /nfs/dbraw/zinc/37/93/01/156379301.db2.gz UQCXIJYPHOQMQB-LJQANCHMSA-N 2 2 333.476 1.534 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](c3ccco3)C2)C1 ZINC000374000184 157100403 /nfs/dbraw/zinc/10/04/03/157100403.db2.gz AXKGQSXSJLUWHP-DLBZAZTESA-N 2 2 349.475 1.542 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](c3ccco3)C2)C1 ZINC000374000184 157100406 /nfs/dbraw/zinc/10/04/06/157100406.db2.gz AXKGQSXSJLUWHP-DLBZAZTESA-N 2 2 349.475 1.542 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](c3ccco3)C2)C1 ZINC000374000184 157100412 /nfs/dbraw/zinc/10/04/12/157100412.db2.gz AXKGQSXSJLUWHP-DLBZAZTESA-N 2 2 349.475 1.542 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](c3ccco3)C2)C1 ZINC000374000184 157100414 /nfs/dbraw/zinc/10/04/14/157100414.db2.gz AXKGQSXSJLUWHP-DLBZAZTESA-N 2 2 349.475 1.542 20 0 EDADLP COc1ccc([C@H]2C[C@@H](C)C[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000374482150 157305183 /nfs/dbraw/zinc/30/51/83/157305183.db2.gz RDDSMBKAVANZHW-CRAIPNDOSA-N 2 2 331.460 1.852 20 0 EDADLP COc1ccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000374482150 157305185 /nfs/dbraw/zinc/30/51/85/157305185.db2.gz RDDSMBKAVANZHW-CRAIPNDOSA-N 2 2 331.460 1.852 20 0 EDADLP COCCCn1nccc1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000374708027 157374780 /nfs/dbraw/zinc/37/47/80/157374780.db2.gz UXLKYOBHDNJUOL-UHFFFAOYSA-N 2 2 326.404 1.790 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000377825720 158001643 /nfs/dbraw/zinc/00/16/43/158001643.db2.gz DZHPARNTMAJRLG-CYBMUJFWSA-N 2 2 333.461 1.703 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000377825720 158001645 /nfs/dbraw/zinc/00/16/45/158001645.db2.gz DZHPARNTMAJRLG-CYBMUJFWSA-N 2 2 333.461 1.703 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000377885366 158020423 /nfs/dbraw/zinc/02/04/23/158020423.db2.gz SIBBQASZVHFYAL-HNNXBMFYSA-N 2 2 345.447 1.786 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1C ZINC000377885366 158020425 /nfs/dbraw/zinc/02/04/25/158020425.db2.gz SIBBQASZVHFYAL-HNNXBMFYSA-N 2 2 345.447 1.786 20 0 EDADLP CCC[C@@]1(CO)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000378104099 158079230 /nfs/dbraw/zinc/07/92/30/158079230.db2.gz AEDQFYHWNRAXIV-GOSISDBHSA-N 2 2 340.512 1.207 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000378113192 158081270 /nfs/dbraw/zinc/08/12/70/158081270.db2.gz FYJRDKJQTKFJMQ-CABCVRRESA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000378113192 158081272 /nfs/dbraw/zinc/08/12/72/158081272.db2.gz FYJRDKJQTKFJMQ-CABCVRRESA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000378113192 158081274 /nfs/dbraw/zinc/08/12/74/158081274.db2.gz FYJRDKJQTKFJMQ-CABCVRRESA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000378113192 158081276 /nfs/dbraw/zinc/08/12/76/158081276.db2.gz FYJRDKJQTKFJMQ-CABCVRRESA-N 2 2 333.480 1.934 20 0 EDADLP C[C@@H]1CN(C(=O)C2CCSCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378372638 158156718 /nfs/dbraw/zinc/15/67/18/158156718.db2.gz UQEFQBYDOFRPQD-CQSZACIVSA-N 2 2 325.522 1.757 20 0 EDADLP C[C@@H]1CN(C(=O)C2CCSCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378372638 158156720 /nfs/dbraw/zinc/15/67/20/158156720.db2.gz UQEFQBYDOFRPQD-CQSZACIVSA-N 2 2 325.522 1.757 20 0 EDADLP CC(C)c1noc([C@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000378423364 158169253 /nfs/dbraw/zinc/16/92/53/158169253.db2.gz BYBVNPHDCSOFRP-AWEZNQCLSA-N 2 2 338.452 1.413 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000378423366 158169478 /nfs/dbraw/zinc/16/94/78/158169478.db2.gz BYBVNPHDCSOFRP-CQSZACIVSA-N 2 2 338.452 1.413 20 0 EDADLP c1coc(C[NH+]2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)c1 ZINC000352385250 162153035 /nfs/dbraw/zinc/15/30/35/162153035.db2.gz DJLKTQBLLOLNHH-UHFFFAOYSA-N 2 2 329.404 1.228 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000352396145 162161838 /nfs/dbraw/zinc/16/18/38/162161838.db2.gz YXSKNMGAALTBGJ-UHFFFAOYSA-N 2 2 349.500 1.297 20 0 EDADLP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352495169 162211374 /nfs/dbraw/zinc/21/13/74/162211374.db2.gz JDVNDZMJLXPUQD-HZPDHXFCSA-N 2 2 346.475 1.310 20 0 EDADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352510728 162221040 /nfs/dbraw/zinc/22/10/40/162221040.db2.gz PFPNMAQLDHMELN-ZBFHGGJFSA-N 2 2 334.439 1.441 20 0 EDADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352519176 162226880 /nfs/dbraw/zinc/22/68/80/162226880.db2.gz MMGNISPPFXGFAP-HKUYNNGSSA-N 2 2 344.503 1.321 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C1CC1 ZINC000365171993 162351056 /nfs/dbraw/zinc/35/10/56/162351056.db2.gz UFBBCFGUSKBJQU-CABCVRRESA-N 2 2 345.491 1.221 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426869048 287154563 /nfs/dbraw/zinc/15/45/63/287154563.db2.gz NFFCDBBYTQSSAL-YJBOKZPZSA-N 2 2 328.460 1.914 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426869048 287154568 /nfs/dbraw/zinc/15/45/68/287154568.db2.gz NFFCDBBYTQSSAL-YJBOKZPZSA-N 2 2 328.460 1.914 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000073643373 287262119 /nfs/dbraw/zinc/26/21/19/287262119.db2.gz QTLXEJYSWMTFBS-UHFFFAOYSA-N 2 2 349.523 1.786 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000073643373 287262122 /nfs/dbraw/zinc/26/21/22/287262122.db2.gz QTLXEJYSWMTFBS-UHFFFAOYSA-N 2 2 349.523 1.786 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073667655 287263054 /nfs/dbraw/zinc/26/30/54/287263054.db2.gz BQKDRHNRBMMPKA-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073667655 287263056 /nfs/dbraw/zinc/26/30/56/287263056.db2.gz BQKDRHNRBMMPKA-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000077174143 287287072 /nfs/dbraw/zinc/28/70/72/287287072.db2.gz JDYQSVOHPUIRDJ-QGZVFWFLSA-N 2 2 336.524 1.537 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000078434575 287293294 /nfs/dbraw/zinc/29/32/94/287293294.db2.gz SROWZZQRKNVLGP-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP CC[NH+](CC)CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000079555714 287301334 /nfs/dbraw/zinc/30/13/34/287301334.db2.gz WYQVSCDYRBLVMB-UHFFFAOYSA-N 2 2 334.464 1.982 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000112916751 287341968 /nfs/dbraw/zinc/34/19/68/287341968.db2.gz WCEYNQGDJGFZTC-MRXNPFEDSA-N 2 2 341.459 1.628 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119107842 287349847 /nfs/dbraw/zinc/34/98/47/287349847.db2.gz JSGZGHFUJSVKRT-COAGQGPPSA-N 2 2 334.464 1.922 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000119107842 287349849 /nfs/dbraw/zinc/34/98/49/287349849.db2.gz JSGZGHFUJSVKRT-COAGQGPPSA-N 2 2 334.464 1.922 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)C1CCCCC1 ZINC000418353565 304484468 /nfs/dbraw/zinc/48/44/68/304484468.db2.gz DCLFWKGEOBWPOT-GOSISDBHSA-N 2 2 345.491 1.816 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCCC1 ZINC000122464208 222093672 /nfs/dbraw/zinc/09/36/72/222093672.db2.gz XLYHJWWHPPOCGV-HZPDHXFCSA-N 2 2 331.464 1.691 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000171759667 227266379 /nfs/dbraw/zinc/26/63/79/227266379.db2.gz NALWFKWMFKQUMK-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP CC[NH+](CC)CCCN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000191811349 272981749 /nfs/dbraw/zinc/98/17/49/272981749.db2.gz OCICAWUHXKZJFU-UHFFFAOYSA-N 2 2 338.540 1.785 20 0 EDADLP C[NH+]1CCC(CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000273265488 268008736 /nfs/dbraw/zinc/00/87/36/268008736.db2.gz NRNDGPUGSRPERY-UHFFFAOYSA-N 2 2 345.487 1.942 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000273062630 273026712 /nfs/dbraw/zinc/02/67/12/273026712.db2.gz HZPFSVGKSAUKHO-AWEZNQCLSA-N 2 2 340.851 1.964 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000273062630 273026714 /nfs/dbraw/zinc/02/67/14/273026714.db2.gz HZPFSVGKSAUKHO-AWEZNQCLSA-N 2 2 340.851 1.964 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000275703735 268370529 /nfs/dbraw/zinc/37/05/29/268370529.db2.gz UNONBXGWHBVBIB-UKRRQHHQSA-N 2 2 330.436 1.586 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276091698 268396046 /nfs/dbraw/zinc/39/60/46/268396046.db2.gz MNSYHTPAWXRZTA-INIZCTEOSA-N 2 2 348.491 1.311 20 0 EDADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000273152645 273030065 /nfs/dbraw/zinc/03/00/65/273030065.db2.gz IDACSFNHVLTMKZ-UYAOXDASSA-N 2 2 347.503 1.415 20 0 EDADLP Cc1cc(Br)cn2cc(CCNC(=O)C[NH+](C)C)[nH+]c12 ZINC000273582320 273046290 /nfs/dbraw/zinc/04/62/90/273046290.db2.gz PEVPSSGCZUKJRI-UHFFFAOYSA-N 2 2 339.237 1.626 20 0 EDADLP CN(Cc1nccc(N)n1)[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000275779139 273128336 /nfs/dbraw/zinc/12/83/36/273128336.db2.gz RRVWSNGKMMMBLX-AWEZNQCLSA-N 2 2 337.431 1.413 20 0 EDADLP CN(Cc1nccc(N)n1)[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000275779139 273128337 /nfs/dbraw/zinc/12/83/37/273128337.db2.gz RRVWSNGKMMMBLX-AWEZNQCLSA-N 2 2 337.431 1.413 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000275910027 273133237 /nfs/dbraw/zinc/13/32/37/273133237.db2.gz SFMBHGQNTDEXIS-GFCCVEGCSA-N 2 2 334.420 1.217 20 0 EDADLP CO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276996108 273174936 /nfs/dbraw/zinc/17/49/36/273174936.db2.gz NSPSQRWQJOJJQJ-IAGOWNOFSA-N 2 2 346.475 1.668 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nc1 ZINC000279825058 273330771 /nfs/dbraw/zinc/33/07/71/273330771.db2.gz YNORPAAFGOZORN-HOCLYGCPSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nc1 ZINC000279825058 273330773 /nfs/dbraw/zinc/33/07/73/273330773.db2.gz YNORPAAFGOZORN-HOCLYGCPSA-N 2 2 347.438 1.868 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCCOC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647937100 452679861 /nfs/dbraw/zinc/67/98/61/452679861.db2.gz QSHANEPQLKKGPH-WBVHZDCISA-N 2 2 325.497 1.901 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCCOC2CCCCC2)CC[C@@H]1[NH3+] ZINC000647937100 452679873 /nfs/dbraw/zinc/67/98/73/452679873.db2.gz QSHANEPQLKKGPH-WBVHZDCISA-N 2 2 325.497 1.901 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000282612128 273687979 /nfs/dbraw/zinc/68/79/79/273687979.db2.gz ITZYBXOLZFDHBO-QGZVFWFLSA-N 2 2 343.475 1.821 20 0 EDADLP COC[C@](C)(CCO)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283908766 274006548 /nfs/dbraw/zinc/00/65/48/274006548.db2.gz BTICGLWKNPARLE-MOPGFXCFSA-N 2 2 336.476 1.655 20 0 EDADLP COC[C@](C)(CCO)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283908766 274006550 /nfs/dbraw/zinc/00/65/50/274006550.db2.gz BTICGLWKNPARLE-MOPGFXCFSA-N 2 2 336.476 1.655 20 0 EDADLP COc1ccc(OC)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c1 ZINC000284463775 274211271 /nfs/dbraw/zinc/21/12/71/274211271.db2.gz HSSJMMKCEALHGS-RDTXWAMCSA-N 2 2 344.415 1.547 20 0 EDADLP C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284774500 274326849 /nfs/dbraw/zinc/32/68/49/274326849.db2.gz MWUOTUJXXNBNSR-PKOBYXMFSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284774500 274326850 /nfs/dbraw/zinc/32/68/50/274326850.db2.gz MWUOTUJXXNBNSR-PKOBYXMFSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@@]1(C(N)=O)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284774500 274326853 /nfs/dbraw/zinc/32/68/53/274326853.db2.gz MWUOTUJXXNBNSR-PKOBYXMFSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@@]1(C(N)=O)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284774500 274326855 /nfs/dbraw/zinc/32/68/55/274326855.db2.gz MWUOTUJXXNBNSR-PKOBYXMFSA-N 2 2 331.460 1.475 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000378543176 275044653 /nfs/dbraw/zinc/04/46/53/275044653.db2.gz PNFDWEYAJSEBAU-UHFFFAOYSA-N 2 2 325.840 1.394 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CSCCS3)C2)CC1 ZINC000365864672 277028714 /nfs/dbraw/zinc/02/87/14/277028714.db2.gz VZKAXQRZGADQLF-JSGCOSHPSA-N 2 2 329.535 1.120 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CSCCS3)C2)CC1 ZINC000365864672 277028715 /nfs/dbraw/zinc/02/87/15/277028715.db2.gz VZKAXQRZGADQLF-JSGCOSHPSA-N 2 2 329.535 1.120 20 0 EDADLP CC(=O)Nc1ccccc1C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000373297235 277089884 /nfs/dbraw/zinc/08/98/84/277089884.db2.gz VNHQZSKZWWDIRP-UHFFFAOYSA-N 2 2 344.459 1.383 20 0 EDADLP CC(=O)Nc1ccccc1C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000373297235 277089885 /nfs/dbraw/zinc/08/98/85/277089885.db2.gz VNHQZSKZWWDIRP-UHFFFAOYSA-N 2 2 344.459 1.383 20 0 EDADLP COC(=O)C[NH+]1CCC(N[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)CC1 ZINC000368629800 277321403 /nfs/dbraw/zinc/32/14/03/277321403.db2.gz BANLBPRQNFGQGO-ICSRJNTNSA-N 2 2 345.487 1.831 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000370601554 277607725 /nfs/dbraw/zinc/60/77/25/277607725.db2.gz ACMVHRBJYMNVNN-SJORKVTESA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000662055550 452802969 /nfs/dbraw/zinc/80/29/69/452802969.db2.gz MVXSBERVPYISLE-ZDUSSCGKSA-N 2 2 346.258 1.390 20 0 EDADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246720991 278185988 /nfs/dbraw/zinc/18/59/88/278185988.db2.gz DBWDRZNTWFBURK-GJZGRUSLSA-N 2 2 344.459 1.634 20 0 EDADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246720991 278185991 /nfs/dbraw/zinc/18/59/91/278185991.db2.gz DBWDRZNTWFBURK-GJZGRUSLSA-N 2 2 344.459 1.634 20 0 EDADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246720991 278185992 /nfs/dbraw/zinc/18/59/92/278185992.db2.gz DBWDRZNTWFBURK-GJZGRUSLSA-N 2 2 344.459 1.634 20 0 EDADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246720991 278185994 /nfs/dbraw/zinc/18/59/94/278185994.db2.gz DBWDRZNTWFBURK-GJZGRUSLSA-N 2 2 344.459 1.634 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885373 278210365 /nfs/dbraw/zinc/21/03/65/278210365.db2.gz ONTWADBWVRWYPN-DLBZAZTESA-N 3 2 336.524 1.536 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885373 278210368 /nfs/dbraw/zinc/21/03/68/278210368.db2.gz ONTWADBWVRWYPN-DLBZAZTESA-N 3 2 336.524 1.536 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000364277396 278237104 /nfs/dbraw/zinc/23/71/04/278237104.db2.gz BIPBYMKXQSVYOU-BHYGNILZSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000364277396 278237105 /nfs/dbraw/zinc/23/71/05/278237105.db2.gz BIPBYMKXQSVYOU-BHYGNILZSA-N 2 2 338.496 1.364 20 0 EDADLP CC[N@@H+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)[C@H](C)C1 ZINC000286520310 288025864 /nfs/dbraw/zinc/02/58/64/288025864.db2.gz ZOCDARQBARSRLG-LLVKDONJSA-N 2 2 331.420 1.760 20 0 EDADLP CC[N@H+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)[C@H](C)C1 ZINC000286520310 288025865 /nfs/dbraw/zinc/02/58/65/288025865.db2.gz ZOCDARQBARSRLG-LLVKDONJSA-N 2 2 331.420 1.760 20 0 EDADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000422767537 278311631 /nfs/dbraw/zinc/31/16/31/278311631.db2.gz SSTUMVKYAXEKHE-CRAIPNDOSA-N 2 2 347.484 1.513 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000286625293 288048683 /nfs/dbraw/zinc/04/86/83/288048683.db2.gz ZEOJHSRRTSPGAF-HUUCEWRRSA-N 2 2 349.479 1.413 20 0 EDADLP CCC(CC)[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[NH+]1CCCC1 ZINC000286635421 288051170 /nfs/dbraw/zinc/05/11/70/288051170.db2.gz KQRPOFRMGHEXBC-HNNXBMFYSA-N 2 2 349.479 1.053 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000250116648 278566690 /nfs/dbraw/zinc/56/66/90/278566690.db2.gz UOZAAHYIEXGHMW-OIISXLGYSA-N 2 2 333.501 1.891 20 0 EDADLP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000286763712 288081256 /nfs/dbraw/zinc/08/12/56/288081256.db2.gz ZLUCKTBNZFIWBY-INIZCTEOSA-N 2 2 337.855 1.631 20 0 EDADLP CC[N@H+](C)CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000338261994 279031365 /nfs/dbraw/zinc/03/13/65/279031365.db2.gz GZXZNWIQMCOWPG-GOSISDBHSA-N 2 2 348.491 1.619 20 0 EDADLP CC[N@@H+](C)CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000338261994 279031367 /nfs/dbraw/zinc/03/13/67/279031367.db2.gz GZXZNWIQMCOWPG-GOSISDBHSA-N 2 2 348.491 1.619 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376222317 279113313 /nfs/dbraw/zinc/11/33/13/279113313.db2.gz PVHOBMLWETVVFA-JKSUJKDBSA-N 2 2 343.537 1.383 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)[N@H+](C)Cc1ccccc1 ZINC000357237254 279199409 /nfs/dbraw/zinc/19/94/09/279199409.db2.gz GXPOHWXGMIMUCY-NVXWUHKLSA-N 2 2 341.459 1.414 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)[N@@H+](C)Cc1ccccc1 ZINC000357237254 279199410 /nfs/dbraw/zinc/19/94/10/279199410.db2.gz GXPOHWXGMIMUCY-NVXWUHKLSA-N 2 2 341.459 1.414 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000442833031 279774989 /nfs/dbraw/zinc/77/49/89/279774989.db2.gz ZQYOSQZMNUMKHD-MAUKXSAKSA-N 2 2 341.496 1.495 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000287268811 288196442 /nfs/dbraw/zinc/19/64/42/288196442.db2.gz USAPTRUKQOSRNR-BQFCYCMXSA-N 2 2 348.491 1.698 20 0 EDADLP COc1ccncc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000287477461 288246444 /nfs/dbraw/zinc/24/64/44/288246444.db2.gz WVWOQAYWTMIRDK-SFHVURJKSA-N 2 2 348.491 1.317 20 0 EDADLP COc1ccncc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000287477461 288246447 /nfs/dbraw/zinc/24/64/47/288246447.db2.gz WVWOQAYWTMIRDK-SFHVURJKSA-N 2 2 348.491 1.317 20 0 EDADLP COc1ccncc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000287540404 288261095 /nfs/dbraw/zinc/26/10/95/288261095.db2.gz ZXLBERHTHJLYTQ-UHFFFAOYSA-N 2 2 329.448 1.883 20 0 EDADLP COc1ccncc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000287540404 288261099 /nfs/dbraw/zinc/26/10/99/288261099.db2.gz ZXLBERHTHJLYTQ-UHFFFAOYSA-N 2 2 329.448 1.883 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000377537131 281285010 /nfs/dbraw/zinc/28/50/10/281285010.db2.gz GXQXUEHIRGEYTQ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000377537131 281285013 /nfs/dbraw/zinc/28/50/13/281285013.db2.gz GXQXUEHIRGEYTQ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181040672 288349325 /nfs/dbraw/zinc/34/93/25/288349325.db2.gz IBOAJISUEUPVOQ-XDNAFOTISA-N 2 2 337.508 1.724 20 0 EDADLP COCC[NH+](CCOC)C1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000289731620 288768845 /nfs/dbraw/zinc/76/88/45/288768845.db2.gz PSWNCKALQNBQDL-UHFFFAOYSA-N 2 2 346.475 1.894 20 0 EDADLP Cc1cc(CNc2nc3c(cnn3C)c(N)[nH+]2)cc(N2CCCC2)[nH+]1 ZINC000291140526 289007604 /nfs/dbraw/zinc/00/76/04/289007604.db2.gz NWJRIHPGWXDVIX-UHFFFAOYSA-N 2 2 338.419 1.861 20 0 EDADLP C[NH+]1CCC(CC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000291492142 289083639 /nfs/dbraw/zinc/08/36/39/289083639.db2.gz ODJGGMQFLNTBAU-UHFFFAOYSA-N 2 2 332.448 1.266 20 0 EDADLP C[C@@H](C[NH2+]Cc1cnnn1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000292027856 289242717 /nfs/dbraw/zinc/24/27/17/289242717.db2.gz XWKWLCQHYQEGSE-INIZCTEOSA-N 2 2 329.448 1.384 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000175548147 289307067 /nfs/dbraw/zinc/30/70/67/289307067.db2.gz HCVBKJCOYVKWRJ-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2cc(C3CC3)[nH+]c(N3CC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000342066237 289317090 /nfs/dbraw/zinc/31/70/90/289317090.db2.gz STNYNIZZULKTOW-HZPDHXFCSA-N 3 2 344.507 1.635 20 0 EDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426761708 289697074 /nfs/dbraw/zinc/69/70/74/289697074.db2.gz CPKXMFRTYAYBNE-QGZVFWFLSA-N 2 2 327.513 1.266 20 0 EDADLP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000344891770 289754262 /nfs/dbraw/zinc/75/42/62/289754262.db2.gz UUUGHDSCUYRAFB-QIIPPGSGSA-N 2 2 342.447 1.489 20 0 EDADLP Cc1nc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)sc1C ZINC000420351581 293328296 /nfs/dbraw/zinc/32/82/96/293328296.db2.gz XJYXWSMZQGIXHD-OCCSQVGLSA-N 2 2 337.493 1.066 20 0 EDADLP Cc1nc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)sc1C ZINC000420351581 293328300 /nfs/dbraw/zinc/32/83/00/293328300.db2.gz XJYXWSMZQGIXHD-OCCSQVGLSA-N 2 2 337.493 1.066 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1S(C)(=O)=O ZINC000423356556 295024837 /nfs/dbraw/zinc/02/48/37/295024837.db2.gz GTQFGDRGCDELGM-MBNYWOFBSA-N 2 2 326.462 1.747 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000420357369 295178005 /nfs/dbraw/zinc/17/80/05/295178005.db2.gz HNJYXBMWHTZBHI-MLGOLLRUSA-N 2 2 337.464 1.844 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000418618651 304520180 /nfs/dbraw/zinc/52/01/80/304520180.db2.gz OOJNKUXOWGXSNM-ZIAGYGMSSA-N 2 2 340.493 1.371 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215514 453136905 /nfs/dbraw/zinc/13/69/05/453136905.db2.gz KRYCQUCWSDEQRW-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660215514 453136915 /nfs/dbraw/zinc/13/69/15/453136915.db2.gz KRYCQUCWSDEQRW-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[N@@H+]([C@@H](CNC(=O)N(C)CC[NH3+])c2cccs2)CCO1 ZINC000417826123 300291609 /nfs/dbraw/zinc/29/16/09/300291609.db2.gz MJDHJWBNMLECCR-STQMWFEESA-N 2 2 326.466 1.110 20 0 EDADLP C[C@H]1C[N@H+]([C@@H](CNC(=O)N(C)CC[NH3+])c2cccs2)CCO1 ZINC000417826123 300291612 /nfs/dbraw/zinc/29/16/12/300291612.db2.gz MJDHJWBNMLECCR-STQMWFEESA-N 2 2 326.466 1.110 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3CCCCO3)CC2)CC1 ZINC000422017084 447310540 /nfs/dbraw/zinc/31/05/40/447310540.db2.gz IVNMPBZDLLVEPC-GOSISDBHSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3CCCCO3)CC2)CC1 ZINC000422017084 447310545 /nfs/dbraw/zinc/31/05/45/447310545.db2.gz IVNMPBZDLLVEPC-GOSISDBHSA-N 2 2 337.508 1.964 20 0 EDADLP CCc1nn(C)cc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422024014 447312916 /nfs/dbraw/zinc/31/29/16/447312916.db2.gz QGXRVQJVSMDUTF-UHFFFAOYSA-N 2 2 347.507 1.615 20 0 EDADLP CCc1nn(C)cc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422024014 447312923 /nfs/dbraw/zinc/31/29/23/447312923.db2.gz QGXRVQJVSMDUTF-UHFFFAOYSA-N 2 2 347.507 1.615 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000422029035 447315702 /nfs/dbraw/zinc/31/57/02/447315702.db2.gz ZAWJBHHDBCNNNC-SFHVURJKSA-N 3 2 338.540 1.591 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000422029035 447315706 /nfs/dbraw/zinc/31/57/06/447315706.db2.gz ZAWJBHHDBCNNNC-SFHVURJKSA-N 3 2 338.540 1.591 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000293997390 303049200 /nfs/dbraw/zinc/04/92/00/303049200.db2.gz HQJZRBHOHHAMMZ-UHFFFAOYSA-N 2 2 325.376 1.278 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H](C)[N@H+]1C ZINC000294006703 303050876 /nfs/dbraw/zinc/05/08/76/303050876.db2.gz PFAGJNGBNIOEBD-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H](C)[N@@H+]1C ZINC000294006703 303050878 /nfs/dbraw/zinc/05/08/78/303050878.db2.gz PFAGJNGBNIOEBD-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH+]1C ZINC000294006703 303050879 /nfs/dbraw/zinc/05/08/79/303050879.db2.gz PFAGJNGBNIOEBD-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H](C)[NH+]1C ZINC000294006703 303050880 /nfs/dbraw/zinc/05/08/80/303050880.db2.gz PFAGJNGBNIOEBD-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H](C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000294236834 303081520 /nfs/dbraw/zinc/08/15/20/303081520.db2.gz QRYNXRVTOVPHMY-DOTOQJQBSA-N 2 2 341.459 1.593 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294972319 303158372 /nfs/dbraw/zinc/15/83/72/303158372.db2.gz FXUDTRITDYHZFC-OIISXLGYSA-N 2 2 339.505 1.567 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294972319 303158374 /nfs/dbraw/zinc/15/83/74/303158374.db2.gz FXUDTRITDYHZFC-OIISXLGYSA-N 2 2 339.505 1.567 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000295210632 303189176 /nfs/dbraw/zinc/18/91/76/303189176.db2.gz AMKQACSWQRJNGI-SJLPKXTDSA-N 2 2 333.476 1.873 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C[C@H](C)O ZINC000295374948 303211095 /nfs/dbraw/zinc/21/10/95/303211095.db2.gz RZELSVMNKHQADB-GOEBONIOSA-N 2 2 343.431 1.185 20 0 EDADLP COc1nccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000295586078 303238265 /nfs/dbraw/zinc/23/82/65/303238265.db2.gz DWTRTKADZINJLH-WMZOPIPTSA-N 2 2 342.443 1.458 20 0 EDADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000295994069 303287950 /nfs/dbraw/zinc/28/79/50/303287950.db2.gz NVHJSOXTHKBQOJ-VQTJNVASSA-N 2 2 342.487 1.917 20 0 EDADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000295994069 303287952 /nfs/dbraw/zinc/28/79/52/303287952.db2.gz NVHJSOXTHKBQOJ-VQTJNVASSA-N 2 2 342.487 1.917 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)[NH+](C)C ZINC000458367042 447327257 /nfs/dbraw/zinc/32/72/57/447327257.db2.gz MDHAHMULJZNWEN-WMZOPIPTSA-N 2 2 348.491 1.179 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000296788537 303338384 /nfs/dbraw/zinc/33/83/84/303338384.db2.gz NYFNURNVEVINEC-GOSISDBHSA-N 2 2 343.471 1.888 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000296788537 303338385 /nfs/dbraw/zinc/33/83/85/303338385.db2.gz NYFNURNVEVINEC-GOSISDBHSA-N 2 2 343.471 1.888 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCC[N@H+](CCCO)C3)cn21 ZINC000297069752 303359110 /nfs/dbraw/zinc/35/91/10/303359110.db2.gz CQEDYOXCLHLMMD-HNNXBMFYSA-N 2 2 345.447 1.289 20 0 EDADLP CO[C@H](C)c1nsc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000667110504 453409959 /nfs/dbraw/zinc/40/99/59/453409959.db2.gz FRBZPDJIFWSFHZ-LLVKDONJSA-N 2 2 344.485 1.251 20 0 EDADLP COC(C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000372875730 447330360 /nfs/dbraw/zinc/33/03/60/447330360.db2.gz DRLDFILGYQDMJF-UHFFFAOYSA-N 3 2 327.513 1.733 20 0 EDADLP COC(C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000372875730 447330371 /nfs/dbraw/zinc/33/03/71/447330371.db2.gz DRLDFILGYQDMJF-UHFFFAOYSA-N 3 2 327.513 1.733 20 0 EDADLP C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298136993 303500317 /nfs/dbraw/zinc/50/03/17/303500317.db2.gz NYJANZKIPDNHAO-UHFFFAOYSA-N 2 2 345.447 1.901 20 0 EDADLP CC(C)CC[NH+]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000302773636 303733846 /nfs/dbraw/zinc/73/38/46/303733846.db2.gz DHGGMCVSNLBSCT-QGZVFWFLSA-N 2 2 347.507 1.996 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000364438477 303802862 /nfs/dbraw/zinc/80/28/62/303802862.db2.gz BGCABAOQRKCMNL-RBUKOAKNSA-N 2 2 343.471 1.518 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656185 453493633 /nfs/dbraw/zinc/49/36/33/453493633.db2.gz SJZAELLZUHTJMA-SFHVURJKSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656185 453493639 /nfs/dbraw/zinc/49/36/39/453493639.db2.gz SJZAELLZUHTJMA-SFHVURJKSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656185 453493647 /nfs/dbraw/zinc/49/36/47/453493647.db2.gz SJZAELLZUHTJMA-SFHVURJKSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656185 453493655 /nfs/dbraw/zinc/49/36/55/453493655.db2.gz SJZAELLZUHTJMA-SFHVURJKSA-N 2 2 325.497 1.583 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420916579 304783675 /nfs/dbraw/zinc/78/36/75/304783675.db2.gz OXWZPQRMNOQNBB-FQEVSTJZSA-N 2 2 347.503 1.407 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000377764599 447343671 /nfs/dbraw/zinc/34/36/71/447343671.db2.gz VDDMTLXRPFNPJP-SFHVURJKSA-N 2 2 344.459 1.960 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000377764599 447343676 /nfs/dbraw/zinc/34/36/76/447343676.db2.gz VDDMTLXRPFNPJP-SFHVURJKSA-N 2 2 344.459 1.960 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000422744709 304879625 /nfs/dbraw/zinc/87/96/25/304879625.db2.gz KSGOGFKTJUBLTJ-PMPSAXMXSA-N 2 2 339.505 1.478 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423754955 304908783 /nfs/dbraw/zinc/90/87/83/304908783.db2.gz ZVZJJZMHJHOAPT-QWHCGFSZSA-N 2 2 349.866 1.615 20 0 EDADLP COC[C@@]1(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC[NH2+]C1 ZINC000423815166 304909980 /nfs/dbraw/zinc/90/99/80/304909980.db2.gz HWDXMTDDCKZXKC-WMLDXEAASA-N 2 2 337.489 1.579 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cccnc2N2CCOCC2)n1C ZINC000425357742 304961767 /nfs/dbraw/zinc/96/17/67/304961767.db2.gz NVHFSZIKTBPELM-UHFFFAOYSA-N 2 2 330.436 1.008 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCCc1nc2ccccc2s1 ZINC000428028796 305004260 /nfs/dbraw/zinc/00/42/60/305004260.db2.gz AXCVKGQLLCKYBT-KGLIPLIRSA-N 2 2 344.484 1.639 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCCc1nc2ccccc2s1 ZINC000428028796 305004261 /nfs/dbraw/zinc/00/42/61/305004261.db2.gz AXCVKGQLLCKYBT-KGLIPLIRSA-N 2 2 344.484 1.639 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000428030051 305004371 /nfs/dbraw/zinc/00/43/71/305004371.db2.gz GVGDIILHWLLHHY-ZBFHGGJFSA-N 2 2 330.432 1.635 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1C ZINC000428030051 305004372 /nfs/dbraw/zinc/00/43/72/305004372.db2.gz GVGDIILHWLLHHY-ZBFHGGJFSA-N 2 2 330.432 1.635 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428037779 305004939 /nfs/dbraw/zinc/00/49/39/305004939.db2.gz VIGHLJGNBPBJAQ-LJIGWXMPSA-N 2 2 331.460 1.945 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428037779 305004940 /nfs/dbraw/zinc/00/49/40/305004940.db2.gz VIGHLJGNBPBJAQ-LJIGWXMPSA-N 2 2 331.460 1.945 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000428038419 305004973 /nfs/dbraw/zinc/00/49/73/305004973.db2.gz NRGWEBSTVKDCFW-UHOSZYNNSA-N 2 2 345.487 1.954 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000428038419 305004974 /nfs/dbraw/zinc/00/49/74/305004974.db2.gz NRGWEBSTVKDCFW-UHOSZYNNSA-N 2 2 345.487 1.954 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000428041684 305005190 /nfs/dbraw/zinc/00/51/90/305005190.db2.gz RNAXERIOIWUTTJ-DOTOQJQBSA-N 2 2 346.450 1.158 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000428041684 305005191 /nfs/dbraw/zinc/00/51/91/305005191.db2.gz RNAXERIOIWUTTJ-DOTOQJQBSA-N 2 2 346.450 1.158 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000430264426 305049125 /nfs/dbraw/zinc/04/91/25/305049125.db2.gz XOOVSKRWJVQCPS-OAHLLOKOSA-N 2 2 349.479 1.340 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)C2=O)c1 ZINC000430572803 305056570 /nfs/dbraw/zinc/05/65/70/305056570.db2.gz KLTKIIDWPLHSJQ-GLJUWKHASA-N 2 2 347.459 1.868 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)C2=O)c1 ZINC000430572803 305056571 /nfs/dbraw/zinc/05/65/71/305056571.db2.gz KLTKIIDWPLHSJQ-GLJUWKHASA-N 2 2 347.459 1.868 20 0 EDADLP C[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000430582810 305056912 /nfs/dbraw/zinc/05/69/12/305056912.db2.gz KYJSUYWATQZZJM-UHFFFAOYSA-N 2 2 329.448 1.405 20 0 EDADLP C[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)CC(C)(C)C[NH3+] ZINC000430582810 305056913 /nfs/dbraw/zinc/05/69/13/305056913.db2.gz KYJSUYWATQZZJM-UHFFFAOYSA-N 2 2 329.448 1.405 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430581800 305056933 /nfs/dbraw/zinc/05/69/33/305056933.db2.gz PFKIJFIUQXHYJR-ILXRZTDVSA-N 2 2 349.475 1.940 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430581800 305056934 /nfs/dbraw/zinc/05/69/34/305056934.db2.gz PFKIJFIUQXHYJR-ILXRZTDVSA-N 2 2 349.475 1.940 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)C1CC1 ZINC000430588049 305057341 /nfs/dbraw/zinc/05/73/41/305057341.db2.gz BQVBMOJUKBEFRZ-INIZCTEOSA-N 2 2 327.375 1.621 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430618408 305059462 /nfs/dbraw/zinc/05/94/62/305059462.db2.gz UBAGCWGQZBHUSJ-ZWKOTPCHSA-N 2 2 344.503 1.561 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430618408 305059463 /nfs/dbraw/zinc/05/94/63/305059463.db2.gz UBAGCWGQZBHUSJ-ZWKOTPCHSA-N 2 2 344.503 1.561 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430649094 305061137 /nfs/dbraw/zinc/06/11/37/305061137.db2.gz HYNPKGVLWRSNMR-AWEZNQCLSA-N 2 2 339.867 1.766 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430649094 305061138 /nfs/dbraw/zinc/06/11/38/305061138.db2.gz HYNPKGVLWRSNMR-AWEZNQCLSA-N 2 2 339.867 1.766 20 0 EDADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000430738969 305063810 /nfs/dbraw/zinc/06/38/10/305063810.db2.gz BVLVTXGYCYYRGU-IRXDYDNUSA-N 2 2 346.475 1.832 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000430921244 305068152 /nfs/dbraw/zinc/06/81/52/305068152.db2.gz SBUBYLXVXUXGKR-YJBOKZPZSA-N 2 2 333.476 1.897 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000430921244 305068153 /nfs/dbraw/zinc/06/81/53/305068153.db2.gz SBUBYLXVXUXGKR-YJBOKZPZSA-N 2 2 333.476 1.897 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430934470 305068980 /nfs/dbraw/zinc/06/89/80/305068980.db2.gz MVCPTCRZYAREHL-AWEZNQCLSA-N 2 2 326.444 1.594 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430934470 305068981 /nfs/dbraw/zinc/06/89/81/305068981.db2.gz MVCPTCRZYAREHL-AWEZNQCLSA-N 2 2 326.444 1.594 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430934902 305069020 /nfs/dbraw/zinc/06/90/20/305069020.db2.gz RGWLGBMGWCPVOO-GDBMZVCRSA-N 2 2 347.459 1.046 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430934902 305069021 /nfs/dbraw/zinc/06/90/21/305069021.db2.gz RGWLGBMGWCPVOO-GDBMZVCRSA-N 2 2 347.459 1.046 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC[C@@H]1[NH3+] ZINC000430934657 305069082 /nfs/dbraw/zinc/06/90/82/305069082.db2.gz QDKVSWVTDKERRM-AAEUAGOBSA-N 2 2 348.838 1.528 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC[C@@H]1[NH3+] ZINC000430934657 305069083 /nfs/dbraw/zinc/06/90/83/305069083.db2.gz QDKVSWVTDKERRM-AAEUAGOBSA-N 2 2 348.838 1.528 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430942409 305069699 /nfs/dbraw/zinc/06/96/99/305069699.db2.gz LRQYCTLIFNXNLV-DOMZBBRYSA-N 2 2 325.840 1.504 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430942409 305069700 /nfs/dbraw/zinc/06/97/00/305069700.db2.gz LRQYCTLIFNXNLV-DOMZBBRYSA-N 2 2 325.840 1.504 20 0 EDADLP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430948749 305070242 /nfs/dbraw/zinc/07/02/42/305070242.db2.gz LDEWISFDHVJKGJ-CPUCHLNUSA-N 2 2 344.459 1.810 20 0 EDADLP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430948749 305070243 /nfs/dbraw/zinc/07/02/43/305070243.db2.gz LDEWISFDHVJKGJ-CPUCHLNUSA-N 2 2 344.459 1.810 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430960081 305071060 /nfs/dbraw/zinc/07/10/60/305071060.db2.gz GXGDOXFCLLLTTJ-GOSISDBHSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430960081 305071061 /nfs/dbraw/zinc/07/10/61/305071061.db2.gz GXGDOXFCLLLTTJ-GOSISDBHSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430960081 305071062 /nfs/dbraw/zinc/07/10/62/305071062.db2.gz GXGDOXFCLLLTTJ-GOSISDBHSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430960081 305071063 /nfs/dbraw/zinc/07/10/63/305071063.db2.gz GXGDOXFCLLLTTJ-GOSISDBHSA-N 3 2 344.503 1.310 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430973251 305071834 /nfs/dbraw/zinc/07/18/34/305071834.db2.gz WGTKHBKIKYIGQK-CYBMUJFWSA-N 2 2 330.432 1.059 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430973251 305071835 /nfs/dbraw/zinc/07/18/35/305071835.db2.gz WGTKHBKIKYIGQK-CYBMUJFWSA-N 2 2 330.432 1.059 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000431001852 305072489 /nfs/dbraw/zinc/07/24/89/305072489.db2.gz XDCXKFPURPDBQV-QGZVFWFLSA-N 2 2 345.447 1.359 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000431001852 305072490 /nfs/dbraw/zinc/07/24/90/305072490.db2.gz XDCXKFPURPDBQV-QGZVFWFLSA-N 2 2 345.447 1.359 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431095680 305074898 /nfs/dbraw/zinc/07/48/98/305074898.db2.gz WDLGUMRGCQICBM-CHWSQXEVSA-N 2 2 337.468 1.780 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431095680 305074899 /nfs/dbraw/zinc/07/48/99/305074899.db2.gz WDLGUMRGCQICBM-CHWSQXEVSA-N 2 2 337.468 1.780 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@H](C[NH3+])C(C)C)c2[nH+]ccn2C)cc1 ZINC000433162098 305102206 /nfs/dbraw/zinc/10/22/06/305102206.db2.gz LLIMECGJYJPBOX-CVEARBPZSA-N 2 2 330.432 1.865 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(N(C)C)[nH+]c2)CCCO1 ZINC000433286168 305104919 /nfs/dbraw/zinc/10/49/19/305104919.db2.gz UFRYWQUQEXMNSU-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(N(C)C)[nH+]c2)CCCO1 ZINC000433286168 305104920 /nfs/dbraw/zinc/10/49/20/305104920.db2.gz UFRYWQUQEXMNSU-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP Cc1nn(C)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434019009 305116560 /nfs/dbraw/zinc/11/65/60/305116560.db2.gz UUWKYRFASGYEKX-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1nn(C)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434019009 305116561 /nfs/dbraw/zinc/11/65/61/305116561.db2.gz UUWKYRFASGYEKX-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1nn(C)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000434019009 305116562 /nfs/dbraw/zinc/11/65/62/305116562.db2.gz UUWKYRFASGYEKX-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1nn(C)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000434019009 305116563 /nfs/dbraw/zinc/11/65/63/305116563.db2.gz UUWKYRFASGYEKX-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP CC[NH+](CC)CCNC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000434400855 305121705 /nfs/dbraw/zinc/12/17/05/305121705.db2.gz WMRIASIWOVHPRU-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC[NH+](CC)CCNC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000434400855 305121706 /nfs/dbraw/zinc/12/17/06/305121706.db2.gz WMRIASIWOVHPRU-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nnc4n3CCCCC4)C2)CC1 ZINC000434543733 305124440 /nfs/dbraw/zinc/12/44/40/305124440.db2.gz SEUOLCZHAOORDS-INIZCTEOSA-N 2 2 332.496 1.216 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnc4n3CCCCC4)C2)CC1 ZINC000434543733 305124441 /nfs/dbraw/zinc/12/44/41/305124441.db2.gz SEUOLCZHAOORDS-INIZCTEOSA-N 2 2 332.496 1.216 20 0 EDADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000436276808 305155392 /nfs/dbraw/zinc/15/53/92/305155392.db2.gz VHAVGPDSUSDKFX-UHFFFAOYSA-N 3 2 341.459 1.787 20 0 EDADLP CC[NH+](CC)CCOC1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000436391298 305156659 /nfs/dbraw/zinc/15/66/59/305156659.db2.gz YNULSJHZUSWCDZ-UHFFFAOYSA-N 2 2 347.467 1.273 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000438114048 305181442 /nfs/dbraw/zinc/18/14/42/305181442.db2.gz HFRBPJJJAAAWFP-SJLPKXTDSA-N 2 2 348.491 1.979 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000438114048 305181443 /nfs/dbraw/zinc/18/14/43/305181443.db2.gz HFRBPJJJAAAWFP-SJLPKXTDSA-N 2 2 348.491 1.979 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000438114048 305181444 /nfs/dbraw/zinc/18/14/44/305181444.db2.gz HFRBPJJJAAAWFP-SJLPKXTDSA-N 2 2 348.491 1.979 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000438114048 305181445 /nfs/dbraw/zinc/18/14/45/305181445.db2.gz HFRBPJJJAAAWFP-SJLPKXTDSA-N 2 2 348.491 1.979 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC[S@@](=O)c1ccccc1 ZINC000441274471 305219894 /nfs/dbraw/zinc/21/98/94/305219894.db2.gz ZBTQNUQGHBFBSR-CXIOKZBNSA-N 2 2 336.501 1.978 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC[S@@](=O)c1ccccc1 ZINC000441274471 305219895 /nfs/dbraw/zinc/21/98/95/305219895.db2.gz ZBTQNUQGHBFBSR-CXIOKZBNSA-N 2 2 336.501 1.978 20 0 EDADLP CC[NH+]1CCC(N(C)CC(O)C[N@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC000447315288 305277928 /nfs/dbraw/zinc/27/79/28/305277928.db2.gz PTGOMTCOTZVHRO-UHFFFAOYSA-N 3 2 340.556 1.180 20 0 EDADLP CC[NH+]1CCC(N(C)CC(O)C[N@@H+](C)C2CC[NH+](CC)CC2)CC1 ZINC000447315288 305277929 /nfs/dbraw/zinc/27/79/29/305277929.db2.gz PTGOMTCOTZVHRO-UHFFFAOYSA-N 3 2 340.556 1.180 20 0 EDADLP CCN1C[C@H](C)[N@H+](C[C@H](O)CN2C[C@@H](C)[NH+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316135 305278247 /nfs/dbraw/zinc/27/82/47/305278247.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[N@@H+](C[C@H](O)CN2C[C@@H](C)[NH+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316135 305278248 /nfs/dbraw/zinc/27/82/48/305278248.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[NH+](C[C@H](O)CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316135 305278249 /nfs/dbraw/zinc/27/82/49/305278249.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[NH+](C[C@H](O)CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316135 305278250 /nfs/dbraw/zinc/27/82/50/305278250.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[N@H+](C[C@@H](O)CN2C[C@H](C)[NH+](CC)C[C@@H]2C)C[C@H]1C ZINC000447316135 305278251 /nfs/dbraw/zinc/27/82/51/305278251.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[N@@H+](C[C@@H](O)CN2C[C@H](C)[NH+](CC)C[C@@H]2C)C[C@H]1C ZINC000447316135 305278252 /nfs/dbraw/zinc/27/82/52/305278252.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[NH+](C[C@@H](O)CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)C[C@H]1C ZINC000447316135 305278253 /nfs/dbraw/zinc/27/82/53/305278253.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[NH+](C[C@@H](O)CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C[C@H]1C ZINC000447316135 305278254 /nfs/dbraw/zinc/27/82/54/305278254.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 2 340.556 1.176 20 0 EDADLP C[C@@H]([N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)(C)O ZINC000451365962 305341838 /nfs/dbraw/zinc/34/18/38/305341838.db2.gz FYCJPPFDQUEKFK-CQSZACIVSA-N 2 2 339.505 1.484 20 0 EDADLP C[C@@H]([N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C(C)(C)O ZINC000451365962 305341839 /nfs/dbraw/zinc/34/18/39/305341839.db2.gz FYCJPPFDQUEKFK-CQSZACIVSA-N 2 2 339.505 1.484 20 0 EDADLP CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000451563639 305353837 /nfs/dbraw/zinc/35/38/37/305353837.db2.gz JWHCWZZLYRLRFY-GVDBMIGSSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000493574304 305619516 /nfs/dbraw/zinc/61/95/16/305619516.db2.gz RZVMSPBOGZGJMY-FUHWJXTLSA-N 2 2 335.448 1.065 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000514565211 305699378 /nfs/dbraw/zinc/69/93/78/305699378.db2.gz YXHKXQHXUAUAFB-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)n1C ZINC000419697085 447355453 /nfs/dbraw/zinc/35/54/53/447355453.db2.gz QCTGMFAPGROXQM-AEFFLSMTSA-N 2 2 332.423 1.881 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)c2csc(C[NH3+])n2)C1 ZINC000516059815 305731863 /nfs/dbraw/zinc/73/18/63/305731863.db2.gz NZZPCKAYBOOVRS-NSHDSACASA-N 2 2 347.444 1.356 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]1 ZINC000516633873 305739488 /nfs/dbraw/zinc/73/94/88/305739488.db2.gz CDHQDTLBHRFNQK-KBAYOESNSA-N 2 2 346.475 1.500 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000449122003 447362038 /nfs/dbraw/zinc/36/20/38/447362038.db2.gz JXAAYHQCCYCDGY-ZDUSSCGKSA-N 2 2 330.440 1.197 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000414942579 447366274 /nfs/dbraw/zinc/36/62/74/447366274.db2.gz ZULRUIAFCPLOAB-CQSZACIVSA-N 2 2 341.415 1.474 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534126502 306003809 /nfs/dbraw/zinc/00/38/09/306003809.db2.gz SWTANBNLWOWNIS-CYBMUJFWSA-N 2 2 333.436 1.581 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000535834971 306017996 /nfs/dbraw/zinc/01/79/96/306017996.db2.gz VXOAZCJOWTYMGT-UHFFFAOYSA-N 2 2 327.432 1.303 20 0 EDADLP O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369721 306020549 /nfs/dbraw/zinc/02/05/49/306020549.db2.gz UQSKDDCDIMMRHO-IAGOWNOFSA-N 2 2 335.448 1.514 20 0 EDADLP COc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(O)c1 ZINC000539843218 306037638 /nfs/dbraw/zinc/03/76/38/306037638.db2.gz SSHPLGRMGUYTIF-UHFFFAOYSA-N 2 2 342.399 1.800 20 0 EDADLP CN(CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)c1cc[nH+]cc1 ZINC000540926415 306041748 /nfs/dbraw/zinc/04/17/48/306041748.db2.gz AUGDWAKACCXNAM-KRWDZBQOSA-N 2 2 332.448 1.231 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C12CCC2 ZINC000544015575 306071966 /nfs/dbraw/zinc/07/19/66/306071966.db2.gz JDRPXAGFVJNTJJ-ARFHVFGLSA-N 2 2 346.475 1.848 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccc3c(c2)OCO3)CC1 ZINC000545913338 306087670 /nfs/dbraw/zinc/08/76/70/306087670.db2.gz DIBHMNWEIYCFEP-UHFFFAOYSA-N 2 2 348.443 1.965 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000547654758 306106706 /nfs/dbraw/zinc/10/67/06/306106706.db2.gz YHJFSUIQTRXAQS-UKRRQHHQSA-N 2 2 348.472 1.799 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548017148 306117660 /nfs/dbraw/zinc/11/76/60/306117660.db2.gz DGDOOBVDLKTJGZ-RBSFLKMASA-N 2 2 334.468 1.281 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548017148 306117661 /nfs/dbraw/zinc/11/76/61/306117661.db2.gz DGDOOBVDLKTJGZ-RBSFLKMASA-N 2 2 334.468 1.281 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000548635834 306133381 /nfs/dbraw/zinc/13/33/81/306133381.db2.gz IJXRELDRWARWOF-DOMZBBRYSA-N 2 2 334.445 1.920 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC000552158512 306176655 /nfs/dbraw/zinc/17/66/55/306176655.db2.gz KJQOSVAPQSQYGQ-GOEBONIOSA-N 2 2 348.491 1.422 20 0 EDADLP C[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[NH+]1CC(C)C1 ZINC000553005716 306182068 /nfs/dbraw/zinc/18/20/68/306182068.db2.gz YYAKBFZRVMLXRO-MRXNPFEDSA-N 2 2 331.460 1.475 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3ccccc3Cl)CC2)[C@@H](C[NH3+])C1 ZINC000557186381 306225780 /nfs/dbraw/zinc/22/57/80/306225780.db2.gz FWHXFSRPLZUEGU-ZDUSSCGKSA-N 2 2 336.867 1.656 20 0 EDADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414956387 447374300 /nfs/dbraw/zinc/37/43/00/447374300.db2.gz AEWVZQNMCPZUIT-QGZVFWFLSA-N 2 2 331.439 1.621 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@H]1O ZINC000426150182 447395916 /nfs/dbraw/zinc/39/59/16/447395916.db2.gz DKCSUSCRXGLGSR-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[C@H]1O ZINC000426150182 447395909 /nfs/dbraw/zinc/39/59/09/447395909.db2.gz DKCSUSCRXGLGSR-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000378103323 447401633 /nfs/dbraw/zinc/40/16/33/447401633.db2.gz TXWRHETXKWRIIA-IRXDYDNUSA-N 2 2 327.432 1.837 20 0 EDADLP C[NH+]1CCC(CNC(=O)CSC2CC2)([NH+]2CCCCC2)CC1 ZINC000449963582 447420840 /nfs/dbraw/zinc/42/08/40/447420840.db2.gz AUOXPZQBIHDFPZ-UHFFFAOYSA-N 2 2 325.522 1.949 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)CC2)cn1 ZINC000426366048 447426538 /nfs/dbraw/zinc/42/65/38/447426538.db2.gz OJTBPNUENSBYKD-UHFFFAOYSA-N 2 2 347.507 1.576 20 0 EDADLP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494453386 447436743 /nfs/dbraw/zinc/43/67/43/447436743.db2.gz KOQYPFIFCBCTMQ-MRXNPFEDSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494453386 447436748 /nfs/dbraw/zinc/43/67/48/447436748.db2.gz KOQYPFIFCBCTMQ-MRXNPFEDSA-N 2 2 336.480 1.119 20 0 EDADLP COCC[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000045844452 441047012 /nfs/dbraw/zinc/04/70/12/441047012.db2.gz FVLAAUGUNUJLNU-UHFFFAOYSA-N 2 2 347.463 1.155 20 0 EDADLP C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105090755 441231913 /nfs/dbraw/zinc/23/19/13/441231913.db2.gz YCBXMBYSSVJIGG-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000105101213 441233128 /nfs/dbraw/zinc/23/31/28/441233128.db2.gz QNNJMDCJVJOMRX-HNNXBMFYSA-N 2 2 329.448 1.908 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000105101213 441233135 /nfs/dbraw/zinc/23/31/35/441233135.db2.gz QNNJMDCJVJOMRX-HNNXBMFYSA-N 2 2 329.448 1.908 20 0 EDADLP C[C@H](CNC(=O)NCc1ccc[nH+]c1N1CCOCC1)[N@H+](C)C1CC1 ZINC000105118586 441236698 /nfs/dbraw/zinc/23/66/98/441236698.db2.gz NGAKSZOIRZUKPJ-CQSZACIVSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](CNC(=O)NCc1ccc[nH+]c1N1CCOCC1)[N@@H+](C)C1CC1 ZINC000105118586 441236702 /nfs/dbraw/zinc/23/67/02/441236702.db2.gz NGAKSZOIRZUKPJ-CQSZACIVSA-N 2 2 347.463 1.200 20 0 EDADLP CC(C)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000105130370 441237880 /nfs/dbraw/zinc/23/78/80/441237880.db2.gz GIQGJHCDWUTRJJ-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP COc1ccc(C[N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000015295684 441199179 /nfs/dbraw/zinc/19/91/79/441199179.db2.gz RWRTULBXXLODNC-UHFFFAOYSA-N 2 2 349.475 1.354 20 0 EDADLP COc1ccc(C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000015295684 441199182 /nfs/dbraw/zinc/19/91/82/441199182.db2.gz RWRTULBXXLODNC-UHFFFAOYSA-N 2 2 349.475 1.354 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3CCC(C)CC3)CC2)c1 ZINC000104719919 441201471 /nfs/dbraw/zinc/20/14/71/441201471.db2.gz XNYZDUCZCFZTDN-UHFFFAOYSA-N 2 2 332.448 1.471 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000104718513 441201530 /nfs/dbraw/zinc/20/15/30/441201530.db2.gz UQXVEVUFDRBTNY-HNNXBMFYSA-N 2 2 332.448 1.471 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCSCC2)CC1 ZINC000047987113 441246339 /nfs/dbraw/zinc/24/63/39/441246339.db2.gz AOIGMSYRFQMINJ-INIZCTEOSA-N 2 2 333.501 1.941 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105302774 441250714 /nfs/dbraw/zinc/25/07/14/441250714.db2.gz XQJXNRBMVXYJDK-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP COc1ccc([C@H](CNC(=O)Cn2cc[nH+]c2)[NH+]2CCCC2)cc1 ZINC000072799731 441260643 /nfs/dbraw/zinc/26/06/43/441260643.db2.gz ISPQBGGZYMHVRO-KRWDZBQOSA-N 2 2 328.416 1.845 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000081998405 441329411 /nfs/dbraw/zinc/32/94/11/441329411.db2.gz GLXMGICVLXIUJV-UHFFFAOYSA-N 2 2 349.475 1.690 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(c3cc(N4CCCCC4)[nH+]cn3)C2)CC1 ZINC000106479121 441346223 /nfs/dbraw/zinc/34/62/23/441346223.db2.gz GALJSIMWWDUIAR-QGZVFWFLSA-N 2 2 344.507 1.683 20 0 EDADLP COCC[NH+](CCOC)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051088581 441397254 /nfs/dbraw/zinc/39/72/54/441397254.db2.gz RAKVLGQHHZWLTO-MRXNPFEDSA-N 2 2 335.448 1.609 20 0 EDADLP CNc1nc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)[nH+]c2ccccc21 ZINC000450264356 447440143 /nfs/dbraw/zinc/44/01/43/447440143.db2.gz ZLRNEXDSWXXLCV-CQSZACIVSA-N 2 2 341.459 2.361 20 0 EDADLP CNc1nc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)[nH+]c2ccccc21 ZINC000450264356 447440148 /nfs/dbraw/zinc/44/01/48/447440148.db2.gz ZLRNEXDSWXXLCV-CQSZACIVSA-N 2 2 341.459 2.361 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083734724 441372208 /nfs/dbraw/zinc/37/22/08/441372208.db2.gz ZKSWNXADFYZTDU-UHFFFAOYSA-N 2 2 333.440 1.271 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)n1C ZINC000083738181 441373304 /nfs/dbraw/zinc/37/33/04/441373304.db2.gz FMHRURVJPXTBDA-UHFFFAOYSA-N 2 2 334.468 1.256 20 0 EDADLP OCCN1CC[NH+](CCCCNc2cc[nH+]c3ccncc23)CC1 ZINC000085687005 441448212 /nfs/dbraw/zinc/44/82/12/441448212.db2.gz FTDBKPGLGPUPSC-UHFFFAOYSA-N 2 2 329.448 1.432 20 0 EDADLP COC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000112987121 441575647 /nfs/dbraw/zinc/57/56/47/441575647.db2.gz YSHIKTUIRMIMGF-KRWDZBQOSA-N 2 2 346.475 1.479 20 0 EDADLP COC[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000112987121 441575649 /nfs/dbraw/zinc/57/56/49/441575649.db2.gz YSHIKTUIRMIMGF-KRWDZBQOSA-N 2 2 346.475 1.479 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000076053084 441587185 /nfs/dbraw/zinc/58/71/85/441587185.db2.gz AXRLVSNHRWQIQJ-HOTGVXAUSA-N 2 2 349.479 1.656 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000076053084 441587187 /nfs/dbraw/zinc/58/71/87/441587187.db2.gz AXRLVSNHRWQIQJ-HOTGVXAUSA-N 2 2 349.479 1.656 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109690 441598940 /nfs/dbraw/zinc/59/89/40/441598940.db2.gz PFEHSENLVAYAIV-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109690 441598944 /nfs/dbraw/zinc/59/89/44/441598944.db2.gz PFEHSENLVAYAIV-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109690 441598947 /nfs/dbraw/zinc/59/89/47/441598947.db2.gz PFEHSENLVAYAIV-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109690 441598950 /nfs/dbraw/zinc/59/89/50/441598950.db2.gz PFEHSENLVAYAIV-OALUTQOASA-N 2 2 345.487 1.736 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000067471794 441643684 /nfs/dbraw/zinc/64/36/84/441643684.db2.gz LPLBHBXSNKGHIV-OAHLLOKOSA-N 2 2 349.475 1.688 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000067471794 441643688 /nfs/dbraw/zinc/64/36/88/441643688.db2.gz LPLBHBXSNKGHIV-OAHLLOKOSA-N 2 2 349.475 1.688 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114479288 441663340 /nfs/dbraw/zinc/66/33/40/441663340.db2.gz UGQOWNMDSUVXLA-UKRRQHHQSA-N 2 2 332.448 1.856 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114479288 441663343 /nfs/dbraw/zinc/66/33/43/441663343.db2.gz UGQOWNMDSUVXLA-UKRRQHHQSA-N 2 2 332.448 1.856 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516001 441613277 /nfs/dbraw/zinc/61/32/77/441613277.db2.gz HUPOYEQSZXUKKZ-HNNXBMFYSA-N 2 2 331.460 1.858 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516001 441613278 /nfs/dbraw/zinc/61/32/78/441613278.db2.gz HUPOYEQSZXUKKZ-HNNXBMFYSA-N 2 2 331.460 1.858 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000114829640 441687360 /nfs/dbraw/zinc/68/73/60/441687360.db2.gz CDQZTKUKJADGRR-CVEARBPZSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[N@@H+](C)C1CC1 ZINC000114829640 441687364 /nfs/dbraw/zinc/68/73/64/441687364.db2.gz CDQZTKUKJADGRR-CVEARBPZSA-N 2 2 345.491 1.953 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158296898 441718969 /nfs/dbraw/zinc/71/89/69/441718969.db2.gz ZHTZSNLOKWGZRG-MRXNPFEDSA-N 2 2 336.436 1.213 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000158296898 441718976 /nfs/dbraw/zinc/71/89/76/441718976.db2.gz ZHTZSNLOKWGZRG-MRXNPFEDSA-N 2 2 336.436 1.213 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CCN3CCCCC3)CC2)CC1 ZINC000077285274 441747968 /nfs/dbraw/zinc/74/79/68/441747968.db2.gz WIMPFRRTIUPPEZ-UHFFFAOYSA-N 2 2 336.524 1.348 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCc3ccc(F)cc3)CC[C@@H]21 ZINC000158810601 441764523 /nfs/dbraw/zinc/76/45/23/441764523.db2.gz UNZQHUPUYRRMSZ-AEFFLSMTSA-N 2 2 333.451 1.901 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCc3ccc(F)cc3)CC[C@@H]21 ZINC000158810601 441764529 /nfs/dbraw/zinc/76/45/29/441764529.db2.gz UNZQHUPUYRRMSZ-AEFFLSMTSA-N 2 2 333.451 1.901 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCCc3ccc(F)cc3)CC[C@@H]21 ZINC000158810601 441764534 /nfs/dbraw/zinc/76/45/34/441764534.db2.gz UNZQHUPUYRRMSZ-AEFFLSMTSA-N 2 2 333.451 1.901 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(F)cc3)CC[C@@H]21 ZINC000158810601 441764539 /nfs/dbraw/zinc/76/45/39/441764539.db2.gz UNZQHUPUYRRMSZ-AEFFLSMTSA-N 2 2 333.451 1.901 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000077121001 441720607 /nfs/dbraw/zinc/72/06/07/441720607.db2.gz ODQFAPJUTMCSRY-UHFFFAOYSA-N 2 2 342.443 1.723 20 0 EDADLP [NH3+]CCc1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000173658569 441816582 /nfs/dbraw/zinc/81/65/82/441816582.db2.gz OVDUSFOELUJRCR-UHFFFAOYSA-N 2 2 330.457 1.602 20 0 EDADLP CN(C)c1ncc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000093147695 441860823 /nfs/dbraw/zinc/86/08/23/441860823.db2.gz RNALVIKXBDCPKX-HNNXBMFYSA-N 2 2 337.537 1.811 20 0 EDADLP CN(C)c1ncc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000093147695 441860824 /nfs/dbraw/zinc/86/08/24/441860824.db2.gz RNALVIKXBDCPKX-HNNXBMFYSA-N 2 2 337.537 1.811 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000068593600 441828372 /nfs/dbraw/zinc/82/83/72/441828372.db2.gz DNQYOOUUXWIYJF-FUHWJXTLSA-N 2 2 348.491 1.699 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@@H]21 ZINC000140002304 441830243 /nfs/dbraw/zinc/83/02/43/441830243.db2.gz RMHGBVMCVHWGHL-HOCLYGCPSA-N 2 2 342.443 1.388 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@@H]21 ZINC000140002304 441830250 /nfs/dbraw/zinc/83/02/50/441830250.db2.gz RMHGBVMCVHWGHL-HOCLYGCPSA-N 2 2 342.443 1.388 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@@H]21 ZINC000140002304 441830255 /nfs/dbraw/zinc/83/02/55/441830255.db2.gz RMHGBVMCVHWGHL-HOCLYGCPSA-N 2 2 342.443 1.388 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)CC[C@@H]21 ZINC000140002304 441830262 /nfs/dbraw/zinc/83/02/62/441830262.db2.gz RMHGBVMCVHWGHL-HOCLYGCPSA-N 2 2 342.443 1.388 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140034047 441832225 /nfs/dbraw/zinc/83/22/25/441832225.db2.gz HYUNYHAOOIZFAR-ZFWWWQNUSA-N 2 2 331.416 1.770 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140034047 441832230 /nfs/dbraw/zinc/83/22/30/441832230.db2.gz HYUNYHAOOIZFAR-ZFWWWQNUSA-N 2 2 331.416 1.770 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140034047 441832232 /nfs/dbraw/zinc/83/22/32/441832232.db2.gz HYUNYHAOOIZFAR-ZFWWWQNUSA-N 2 2 331.416 1.770 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140034047 441832236 /nfs/dbraw/zinc/83/22/36/441832236.db2.gz HYUNYHAOOIZFAR-ZFWWWQNUSA-N 2 2 331.416 1.770 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000118988040 441912700 /nfs/dbraw/zinc/91/27/00/441912700.db2.gz FLGXFPKTEPIUNH-HOTGVXAUSA-N 2 2 346.475 1.595 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000174411424 441923369 /nfs/dbraw/zinc/92/33/69/441923369.db2.gz GAHGEWAKNHYMKA-DOTOQJQBSA-N 2 2 335.448 1.644 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000174411424 441923371 /nfs/dbraw/zinc/92/33/71/441923371.db2.gz GAHGEWAKNHYMKA-DOTOQJQBSA-N 2 2 335.448 1.644 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123175011 441879094 /nfs/dbraw/zinc/87/90/94/441879094.db2.gz WNPWCWAIXOOKNM-FPCVCCKLSA-N 2 2 338.496 1.805 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123175011 441879099 /nfs/dbraw/zinc/87/90/99/441879099.db2.gz WNPWCWAIXOOKNM-FPCVCCKLSA-N 2 2 338.496 1.805 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123175011 441879105 /nfs/dbraw/zinc/87/91/05/441879105.db2.gz WNPWCWAIXOOKNM-FPCVCCKLSA-N 2 2 338.496 1.805 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123175011 441879110 /nfs/dbraw/zinc/87/91/10/441879110.db2.gz WNPWCWAIXOOKNM-FPCVCCKLSA-N 2 2 338.496 1.805 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000093334384 441879917 /nfs/dbraw/zinc/87/99/17/441879917.db2.gz OQBZWQDJPPXIGY-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000093334384 441879920 /nfs/dbraw/zinc/87/99/20/441879920.db2.gz OQBZWQDJPPXIGY-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000150772381 441947559 /nfs/dbraw/zinc/94/75/59/441947559.db2.gz NBLITPGFXZUPBM-SQNIBIBYSA-N 2 2 335.492 1.574 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000150772381 441947563 /nfs/dbraw/zinc/94/75/63/441947563.db2.gz NBLITPGFXZUPBM-SQNIBIBYSA-N 2 2 335.492 1.574 20 0 EDADLP CC(C)CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000119792470 441953199 /nfs/dbraw/zinc/95/31/99/441953199.db2.gz SIJYWYPVYYRYDL-GOSISDBHSA-N 2 2 349.475 1.671 20 0 EDADLP CC(C)CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000119792470 441953202 /nfs/dbraw/zinc/95/32/02/441953202.db2.gz SIJYWYPVYYRYDL-GOSISDBHSA-N 2 2 349.475 1.671 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174715372 441957731 /nfs/dbraw/zinc/95/77/31/441957731.db2.gz KQKLODCSFUTLLP-UHFFFAOYSA-N 2 2 332.492 1.811 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174715372 441957732 /nfs/dbraw/zinc/95/77/32/441957732.db2.gz KQKLODCSFUTLLP-UHFFFAOYSA-N 2 2 332.492 1.811 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000151049395 441995173 /nfs/dbraw/zinc/99/51/73/441995173.db2.gz LJHPGWAMVJJASI-UKRRQHHQSA-N 2 2 348.472 1.765 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nc(C)no2)CC1 ZINC000150995672 441987606 /nfs/dbraw/zinc/98/76/06/441987606.db2.gz XNNZACYIPJAIAE-UHFFFAOYSA-N 2 2 337.468 1.438 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161705664 442025977 /nfs/dbraw/zinc/02/59/77/442025977.db2.gz SHIWFCVFEUDEJE-HNNXBMFYSA-N 2 2 340.512 1.611 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161705664 442025983 /nfs/dbraw/zinc/02/59/83/442025983.db2.gz SHIWFCVFEUDEJE-HNNXBMFYSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000120309458 442046778 /nfs/dbraw/zinc/04/67/78/442046778.db2.gz FJNXWKCBYFRBEM-GDBMZVCRSA-N 2 2 334.439 1.204 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000079897997 442094928 /nfs/dbraw/zinc/09/49/28/442094928.db2.gz JUVOJAITIJDUGK-UHFFFAOYSA-N 2 2 345.422 1.986 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)C(=O)OC ZINC000175721840 442112013 /nfs/dbraw/zinc/11/20/13/442112013.db2.gz LKRGLVOONNHTJA-MPTYRVRUSA-N 2 2 341.496 1.352 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)C(=O)OC ZINC000175721840 442112015 /nfs/dbraw/zinc/11/20/15/442112015.db2.gz LKRGLVOONNHTJA-MPTYRVRUSA-N 2 2 341.496 1.352 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC ZINC000175721840 442112017 /nfs/dbraw/zinc/11/20/17/442112017.db2.gz LKRGLVOONNHTJA-MPTYRVRUSA-N 2 2 341.496 1.352 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)OC ZINC000175721840 442112018 /nfs/dbraw/zinc/11/20/18/442112018.db2.gz LKRGLVOONNHTJA-MPTYRVRUSA-N 2 2 341.496 1.352 20 0 EDADLP CC[NH+]1CCC(NC(=O)CN2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000166064549 442213505 /nfs/dbraw/zinc/21/35/05/442213505.db2.gz WSLVLTBIDFPYBN-UHFFFAOYSA-N 2 2 345.491 1.113 20 0 EDADLP Cc1cccc2c1CC[C@H]2[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000168898450 442225236 /nfs/dbraw/zinc/22/52/36/442225236.db2.gz KEDIFRQQSIUTRP-HXUWFJFHSA-N 2 2 331.504 1.962 20 0 EDADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000168913061 442225501 /nfs/dbraw/zinc/22/55/01/442225501.db2.gz DBWRBNGKKYNQHD-YLJYHZDGSA-N 2 2 331.504 1.900 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000176868590 442264753 /nfs/dbraw/zinc/26/47/53/442264753.db2.gz XEISFTMCKTVYKQ-HNNXBMFYSA-N 2 2 331.420 1.354 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cccs3)CC2)CC1 ZINC000177056552 442291231 /nfs/dbraw/zinc/29/12/31/442291231.db2.gz CWQRLZIYEGOUNJ-HNNXBMFYSA-N 2 2 336.505 1.423 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)COCCOc2ccccc2)CC1 ZINC000177139659 442304016 /nfs/dbraw/zinc/30/40/16/442304016.db2.gz PFUFIGXDMFQOJD-UHFFFAOYSA-N 2 2 349.475 1.224 20 0 EDADLP C[C@@H](c1ccccc1)[C@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177141758 442304152 /nfs/dbraw/zinc/30/41/52/442304152.db2.gz LEIIVXWJHHKELE-JXFKEZNVSA-N 2 2 347.503 1.683 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000154083423 442320584 /nfs/dbraw/zinc/32/05/84/442320584.db2.gz ZFWCTIRCAMGODE-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000154083423 442320588 /nfs/dbraw/zinc/32/05/88/442320588.db2.gz ZFWCTIRCAMGODE-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129696489 442328403 /nfs/dbraw/zinc/32/84/03/442328403.db2.gz JOJCLZMRMJFOOZ-ZBFHGGJFSA-N 2 2 330.436 1.158 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129696489 442328405 /nfs/dbraw/zinc/32/84/05/442328405.db2.gz JOJCLZMRMJFOOZ-ZBFHGGJFSA-N 2 2 330.436 1.158 20 0 EDADLP CCC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000154625896 442348850 /nfs/dbraw/zinc/34/88/50/442348850.db2.gz AYXDSVDUZUWRQK-UHFFFAOYSA-N 2 2 345.491 1.194 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C[N@@H+]1C1CC1 ZINC000129230454 442306854 /nfs/dbraw/zinc/30/68/54/442306854.db2.gz PBULXXJBCFPZKW-OAGGEKHMSA-N 2 2 343.475 1.975 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C[N@H+]1C1CC1 ZINC000129230454 442306857 /nfs/dbraw/zinc/30/68/57/442306857.db2.gz PBULXXJBCFPZKW-OAGGEKHMSA-N 2 2 343.475 1.975 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCOC(C)(C)C3)CC[C@@H]21 ZINC000178049208 442404662 /nfs/dbraw/zinc/40/46/62/442404662.db2.gz MKYDCMYSINDKQQ-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCOC(C)(C)C3)CC[C@@H]21 ZINC000178049208 442404665 /nfs/dbraw/zinc/40/46/65/442404665.db2.gz MKYDCMYSINDKQQ-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)CC[C@@H]21 ZINC000178049208 442404667 /nfs/dbraw/zinc/40/46/67/442404667.db2.gz MKYDCMYSINDKQQ-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)CC[C@@H]21 ZINC000178049208 442404669 /nfs/dbraw/zinc/40/46/69/442404669.db2.gz MKYDCMYSINDKQQ-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000132225872 442389818 /nfs/dbraw/zinc/38/98/18/442389818.db2.gz VTLFPZAQTQIGQF-SJORKVTESA-N 2 2 345.491 1.074 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000132225872 442389820 /nfs/dbraw/zinc/38/98/20/442389820.db2.gz VTLFPZAQTQIGQF-SJORKVTESA-N 2 2 345.491 1.074 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000155355532 442390191 /nfs/dbraw/zinc/39/01/91/442390191.db2.gz GNGIFNJPGPQSMK-UHFFFAOYSA-N 2 2 342.399 1.407 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cccc(C[NH+](C)C)c2)no1 ZINC000155923324 442436385 /nfs/dbraw/zinc/43/63/85/442436385.db2.gz UJJMOBKDOBIZEU-UHFFFAOYSA-N 2 2 345.447 1.858 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134082034 442449805 /nfs/dbraw/zinc/44/98/05/442449805.db2.gz LHZNPXBKCVBGPU-CQSZACIVSA-N 2 2 346.479 1.112 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCC3=CC[NH2+]CC3)cn2c1 ZINC000186272201 442501526 /nfs/dbraw/zinc/50/15/26/442501526.db2.gz XTQIQWQAEZZYHS-UHFFFAOYSA-N 2 2 330.457 1.912 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156364802 442473487 /nfs/dbraw/zinc/47/34/87/442473487.db2.gz PTTQMLCUCCOBCY-HIFRSBDPSA-N 2 2 334.420 1.405 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156364802 442473491 /nfs/dbraw/zinc/47/34/91/442473491.db2.gz PTTQMLCUCCOBCY-HIFRSBDPSA-N 2 2 334.420 1.405 20 0 EDADLP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000191783128 442509611 /nfs/dbraw/zinc/50/96/11/442509611.db2.gz GYCBUNUFODHAGD-QGZVFWFLSA-N 2 2 338.540 1.783 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@@H]1CC ZINC000178777573 442481863 /nfs/dbraw/zinc/48/18/63/442481863.db2.gz MXCPCGGISKSKJX-LBPRGKRZSA-N 2 2 326.466 1.175 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@@H]1CC ZINC000178777573 442481866 /nfs/dbraw/zinc/48/18/66/442481866.db2.gz MXCPCGGISKSKJX-LBPRGKRZSA-N 2 2 326.466 1.175 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134946025 442540457 /nfs/dbraw/zinc/54/04/57/442540457.db2.gz FOTQZIJVOXJUGG-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134946025 442540462 /nfs/dbraw/zinc/54/04/62/442540462.db2.gz FOTQZIJVOXJUGG-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CCCCOCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134946025 442540466 /nfs/dbraw/zinc/54/04/66/442540466.db2.gz FOTQZIJVOXJUGG-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CCCCOCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134946025 442540468 /nfs/dbraw/zinc/54/04/68/442540468.db2.gz FOTQZIJVOXJUGG-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840392 442520610 /nfs/dbraw/zinc/52/06/10/442520610.db2.gz IIURMSROYCTYRN-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840392 442520611 /nfs/dbraw/zinc/52/06/11/442520611.db2.gz IIURMSROYCTYRN-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156802693 442521711 /nfs/dbraw/zinc/52/17/11/442521711.db2.gz ADPHNYSOVKZJOO-DLBZAZTESA-N 2 2 337.508 1.820 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NC(=O)NCc1ccco1 ZINC000157420605 442582232 /nfs/dbraw/zinc/58/22/32/442582232.db2.gz WDCZXNZISZQVRT-OAHLLOKOSA-N 2 2 348.447 1.556 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NC(=O)NCc1ccco1 ZINC000157420605 442582235 /nfs/dbraw/zinc/58/22/35/442582235.db2.gz WDCZXNZISZQVRT-OAHLLOKOSA-N 2 2 348.447 1.556 20 0 EDADLP C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000192126355 442598805 /nfs/dbraw/zinc/59/88/05/442598805.db2.gz BIGJFZYEVPBLME-AEFFLSMTSA-N 2 2 331.460 1.345 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000173189202 442620964 /nfs/dbraw/zinc/62/09/64/442620964.db2.gz JFFKTKCEJNCZKJ-HUUCEWRRSA-N 2 2 337.468 1.380 20 0 EDADLP CCOC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180785331 442659084 /nfs/dbraw/zinc/65/90/84/442659084.db2.gz JZUGYQBAUGFKTL-HZPDHXFCSA-N 2 2 349.479 1.297 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192534539 442659183 /nfs/dbraw/zinc/65/91/83/442659183.db2.gz RTGLVYFTLUSNBE-AWEZNQCLSA-N 2 2 335.473 1.800 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192534539 442659187 /nfs/dbraw/zinc/65/91/87/442659187.db2.gz RTGLVYFTLUSNBE-AWEZNQCLSA-N 2 2 335.473 1.800 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)c1ccccc1 ZINC000188055576 442706206 /nfs/dbraw/zinc/70/62/06/442706206.db2.gz LSPMMYVULLICFN-RTBURBONSA-N 2 2 345.487 1.906 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)c1ccccc1 ZINC000188055576 442706208 /nfs/dbraw/zinc/70/62/08/442706208.db2.gz LSPMMYVULLICFN-RTBURBONSA-N 2 2 345.487 1.906 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)CC[C@H](C)[NH3+])CC2)cc(OC)c1 ZINC000193322243 442732640 /nfs/dbraw/zinc/73/26/40/442732640.db2.gz JEELZDVGTHGXCL-AWEZNQCLSA-N 2 2 335.448 1.475 20 0 EDADLP COCC[NH+]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000193449172 442743583 /nfs/dbraw/zinc/74/35/83/442743583.db2.gz IEGYXZQZERPGJQ-UHFFFAOYSA-N 2 2 346.475 1.018 20 0 EDADLP COCC[NH+]1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000193449172 442743585 /nfs/dbraw/zinc/74/35/85/442743585.db2.gz IEGYXZQZERPGJQ-UHFFFAOYSA-N 2 2 346.475 1.018 20 0 EDADLP O=C1C[C@@H](CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CN1C1CC1 ZINC000182222498 442747474 /nfs/dbraw/zinc/74/74/74/442747474.db2.gz AFFASASYLNSQLN-LBPRGKRZSA-N 2 2 349.398 1.633 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182226195 442747546 /nfs/dbraw/zinc/74/75/46/442747546.db2.gz NFKNPWCRBZCGKY-UHFFFAOYSA-N 2 2 331.460 1.745 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](CO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000267940768 442793883 /nfs/dbraw/zinc/79/38/83/442793883.db2.gz SAJSVWCCDIFPPE-SFHVURJKSA-N 2 2 331.460 1.035 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](CO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000267940768 442793889 /nfs/dbraw/zinc/79/38/89/442793889.db2.gz SAJSVWCCDIFPPE-SFHVURJKSA-N 2 2 331.460 1.035 20 0 EDADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1nccn1C ZINC000182333547 442758213 /nfs/dbraw/zinc/75/82/13/442758213.db2.gz PYTPMGKESDHGSZ-MRXNPFEDSA-N 2 2 343.479 1.463 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193601430 442758525 /nfs/dbraw/zinc/75/85/25/442758525.db2.gz QPOKARKHPHWAFP-IYBDPMFKSA-N 2 2 347.459 1.074 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193601430 442758527 /nfs/dbraw/zinc/75/85/27/442758527.db2.gz QPOKARKHPHWAFP-IYBDPMFKSA-N 2 2 347.459 1.074 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193601430 442758528 /nfs/dbraw/zinc/75/85/28/442758528.db2.gz QPOKARKHPHWAFP-IYBDPMFKSA-N 2 2 347.459 1.074 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193601430 442758530 /nfs/dbraw/zinc/75/85/30/442758530.db2.gz QPOKARKHPHWAFP-IYBDPMFKSA-N 2 2 347.459 1.074 20 0 EDADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000182355608 442759694 /nfs/dbraw/zinc/75/96/94/442759694.db2.gz AWFLKPAQYWGSET-CABCVRRESA-N 2 2 334.445 1.713 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000194057244 442838611 /nfs/dbraw/zinc/83/86/11/442838611.db2.gz SDIAGHTZVDDTHW-UHFFFAOYSA-N 2 2 346.475 1.445 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)[nH+]c2c1 ZINC000268094929 442845084 /nfs/dbraw/zinc/84/50/84/442845084.db2.gz COOKLXVXNQMOJW-XJKSGUPXSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)[nH+]c2c1 ZINC000268094929 442845090 /nfs/dbraw/zinc/84/50/90/442845090.db2.gz COOKLXVXNQMOJW-XJKSGUPXSA-N 2 2 327.432 1.925 20 0 EDADLP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968640 442857500 /nfs/dbraw/zinc/85/75/00/442857500.db2.gz SDYYGJITEQVMEV-QGZVFWFLSA-N 2 2 342.491 1.898 20 0 EDADLP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182968640 442857503 /nfs/dbraw/zinc/85/75/03/442857503.db2.gz SDYYGJITEQVMEV-QGZVFWFLSA-N 2 2 342.491 1.898 20 0 EDADLP C[NH+]1CCC(CNC(=O)C(=O)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000194357427 442882263 /nfs/dbraw/zinc/88/22/63/442882263.db2.gz RWLYBUBTTFEHBO-UHFFFAOYSA-N 2 2 343.471 1.936 20 0 EDADLP COc1ccc2[nH]c(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cc2c1 ZINC000189388011 442936622 /nfs/dbraw/zinc/93/66/22/442936622.db2.gz HKPVSNXQXALFLA-UHFFFAOYSA-N 2 2 344.459 1.932 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183745504 442958090 /nfs/dbraw/zinc/95/80/90/442958090.db2.gz NQVJLVPVIYNFPG-INIZCTEOSA-N 2 2 340.493 1.600 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183745504 442958094 /nfs/dbraw/zinc/95/80/94/442958094.db2.gz NQVJLVPVIYNFPG-INIZCTEOSA-N 2 2 340.493 1.600 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1cccnc1 ZINC000268358088 442959985 /nfs/dbraw/zinc/95/99/85/442959985.db2.gz OSGDBDXQEDCATL-UHFFFAOYSA-N 2 2 338.455 1.858 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1cccnc1 ZINC000268358088 442959990 /nfs/dbraw/zinc/95/99/90/442959990.db2.gz OSGDBDXQEDCATL-UHFFFAOYSA-N 2 2 338.455 1.858 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C1 ZINC000249453311 442975474 /nfs/dbraw/zinc/97/54/74/442975474.db2.gz MUXSYNWKIZKMMJ-RHSMWYFYSA-N 2 2 337.489 1.303 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C1 ZINC000249453311 442975478 /nfs/dbraw/zinc/97/54/78/442975478.db2.gz MUXSYNWKIZKMMJ-RHSMWYFYSA-N 2 2 337.489 1.303 20 0 EDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000189890104 443025022 /nfs/dbraw/zinc/02/50/22/443025022.db2.gz BJCXNQOCSSMCMW-HNNXBMFYSA-N 2 2 326.444 1.916 20 0 EDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+]1CCc2ccccc2C1 ZINC000189890104 443025024 /nfs/dbraw/zinc/02/50/24/443025024.db2.gz BJCXNQOCSSMCMW-HNNXBMFYSA-N 2 2 326.444 1.916 20 0 EDADLP CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)N2CC[NH+](CC)CC2)o1 ZINC000184826878 443081966 /nfs/dbraw/zinc/08/19/66/443081966.db2.gz XEFMDCRTAQRAJX-ZBFHGGJFSA-N 2 2 337.464 1.672 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnccn1 ZINC000268790476 443108824 /nfs/dbraw/zinc/10/88/24/443108824.db2.gz GFKSFKBPHNRSCR-MRXNPFEDSA-N 3 2 326.448 1.735 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000185035624 443122642 /nfs/dbraw/zinc/12/26/42/443122642.db2.gz MVPNZJQDTJYDQZ-HIFRSBDPSA-N 2 2 344.463 1.242 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000185035624 443122646 /nfs/dbraw/zinc/12/26/46/443122646.db2.gz MVPNZJQDTJYDQZ-HIFRSBDPSA-N 2 2 344.463 1.242 20 0 EDADLP O=C(CC[C@@H]1CC[NH2+]C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261920192 443174593 /nfs/dbraw/zinc/17/45/93/443174593.db2.gz XNUHLZBYOAMVLT-SJLPKXTDSA-N 2 2 331.460 1.566 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CC[NH2+]1 ZINC000262389360 443192957 /nfs/dbraw/zinc/19/29/57/443192957.db2.gz MOKIYFYXERJYCD-KKUMJFAQSA-N 2 2 337.489 1.626 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000238055577 443193402 /nfs/dbraw/zinc/19/34/02/443193402.db2.gz XDTAKCINBRSJAW-IAGOWNOFSA-N 2 2 349.500 1.271 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262990451 443221452 /nfs/dbraw/zinc/22/14/52/443221452.db2.gz NRIAKKOIWSDKJS-CYBMUJFWSA-N 2 2 327.375 1.240 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)c1ccccc1C[NH+]1CCOCC1 ZINC000266790269 443243270 /nfs/dbraw/zinc/24/32/70/443243270.db2.gz BBMABXHMKSIWKA-UHFFFAOYSA-N 2 2 349.500 1.297 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000190883926 443204169 /nfs/dbraw/zinc/20/41/69/443204169.db2.gz YMZMIIOSOWPRCU-UHFFFAOYSA-N 2 2 343.479 1.470 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000266690458 443208972 /nfs/dbraw/zinc/20/89/72/443208972.db2.gz UCUGHYRTPIIKLI-HZPDHXFCSA-N 2 2 331.464 1.916 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000266690458 443208979 /nfs/dbraw/zinc/20/89/79/443208979.db2.gz UCUGHYRTPIIKLI-HZPDHXFCSA-N 2 2 331.464 1.916 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(=O)OC ZINC000266797298 443245783 /nfs/dbraw/zinc/24/57/83/443245783.db2.gz YJAPWBXABSRYIU-WFASDCNBSA-N 2 2 336.436 1.293 20 0 EDADLP C[N@H+](Cc1nc(CC2=[NH+][C@@H]3CCCC[C@@H]3N2)no1)[C@@H]1CCSC1 ZINC000350606561 319057757 /nfs/dbraw/zinc/05/77/57/319057757.db2.gz MJEMXRXNBLYFCF-UPJWGTAASA-N 2 2 335.477 1.862 20 0 EDADLP C[N@@H+](Cc1nc(CC2=[NH+][C@@H]3CCCC[C@@H]3N2)no1)[C@@H]1CCSC1 ZINC000350606561 319057759 /nfs/dbraw/zinc/05/77/59/319057759.db2.gz MJEMXRXNBLYFCF-UPJWGTAASA-N 2 2 335.477 1.862 20 0 EDADLP Cc1cccn2c(C[NH2+]C[C@H]3CCC[C@@]34NC(=O)N(C)C4=O)c[nH+]c12 ZINC000360024884 319116259 /nfs/dbraw/zinc/11/62/59/319116259.db2.gz WQYGPUWYIUZFAG-FZKQIMNGSA-N 2 2 341.415 1.453 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c(C)[nH+]1 ZINC000411460123 319183716 /nfs/dbraw/zinc/18/37/16/319183716.db2.gz QXZHUSXZUKGSSC-OAHLLOKOSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c(C)[nH+]1 ZINC000411460123 319183718 /nfs/dbraw/zinc/18/37/18/319183718.db2.gz QXZHUSXZUKGSSC-OAHLLOKOSA-N 2 2 332.448 1.744 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC1 ZINC000414536504 319329492 /nfs/dbraw/zinc/32/94/92/319329492.db2.gz NDOKFPYPODHUNV-HIFRSBDPSA-N 2 2 334.407 1.542 20 0 EDADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000414673928 319339789 /nfs/dbraw/zinc/33/97/89/319339789.db2.gz DCPPVWGPUNSXIB-GOSISDBHSA-N 2 2 332.492 1.294 20 0 EDADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266877079 443275925 /nfs/dbraw/zinc/27/59/25/443275925.db2.gz ZMNZDTIUJKRVMO-MRXNPFEDSA-N 2 2 331.460 1.543 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266877079 443275928 /nfs/dbraw/zinc/27/59/28/443275928.db2.gz ZMNZDTIUJKRVMO-MRXNPFEDSA-N 2 2 331.460 1.543 20 0 EDADLP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266880994 443278013 /nfs/dbraw/zinc/27/80/13/443278013.db2.gz AABWUDXTKZVSDJ-ZDUSSCGKSA-N 2 2 339.403 1.748 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000266837716 443262475 /nfs/dbraw/zinc/26/24/75/443262475.db2.gz MLQXAHKTMATUSN-MSOLQXFVSA-N 2 2 346.519 1.507 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000266837716 443262479 /nfs/dbraw/zinc/26/24/79/443262479.db2.gz MLQXAHKTMATUSN-MSOLQXFVSA-N 2 2 346.519 1.507 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000264463092 443301340 /nfs/dbraw/zinc/30/13/40/443301340.db2.gz QEGDMUBKXORRAR-MSOLQXFVSA-N 2 2 333.476 1.595 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000264463092 443301343 /nfs/dbraw/zinc/30/13/43/443301343.db2.gz QEGDMUBKXORRAR-MSOLQXFVSA-N 2 2 333.476 1.595 20 0 EDADLP COc1ccc([C@@H](NC(=O)NC[C@@H]([NH3+])C2CC2)c2[nH+]ccn2C)cc1 ZINC000416907906 319471404 /nfs/dbraw/zinc/47/14/04/319471404.db2.gz NKYBGWYYLNUKAB-HZPDHXFCSA-N 2 2 343.431 1.555 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416939987 319480180 /nfs/dbraw/zinc/48/01/80/319480180.db2.gz OEKWPIOWJJZPFB-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c(C)[nH+]1 ZINC000278449196 443335874 /nfs/dbraw/zinc/33/58/74/443335874.db2.gz UJBIIBZEAUSCGJ-CQSZACIVSA-N 2 2 348.447 1.254 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c(C)[nH+]1 ZINC000278449196 443335878 /nfs/dbraw/zinc/33/58/78/443335878.db2.gz UJBIIBZEAUSCGJ-CQSZACIVSA-N 2 2 348.447 1.254 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000264460873 443300190 /nfs/dbraw/zinc/30/01/90/443300190.db2.gz VCYBMPZTJCDZME-WMZOPIPTSA-N 2 2 332.492 1.432 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000264460873 443300193 /nfs/dbraw/zinc/30/01/93/443300193.db2.gz VCYBMPZTJCDZME-WMZOPIPTSA-N 2 2 332.492 1.432 20 0 EDADLP Cc1[nH]c(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c[nH+]1 ZINC000267196818 443374501 /nfs/dbraw/zinc/37/45/01/443374501.db2.gz KXHNZFXAWJQKEA-UHFFFAOYSA-N 2 2 328.416 1.605 20 0 EDADLP C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000272611946 443382315 /nfs/dbraw/zinc/38/23/15/443382315.db2.gz SJVZJRYFFZIRBG-LSDHHAIUSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000272611946 443382319 /nfs/dbraw/zinc/38/23/19/443382319.db2.gz SJVZJRYFFZIRBG-LSDHHAIUSA-N 2 2 337.489 1.095 20 0 EDADLP C[NH+]1CCC(C)(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000272560420 443363455 /nfs/dbraw/zinc/36/34/55/443363455.db2.gz GNTPBBVFDZLCPR-OAHLLOKOSA-N 2 2 331.464 1.691 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)[C@@H](C)C1 ZINC000282543328 443369119 /nfs/dbraw/zinc/36/91/19/443369119.db2.gz RFOHXPFECTZYAQ-FUHWJXTLSA-N 2 2 338.517 1.964 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)[C@@H](C)C1 ZINC000282543328 443369125 /nfs/dbraw/zinc/36/91/25/443369125.db2.gz RFOHXPFECTZYAQ-FUHWJXTLSA-N 2 2 338.517 1.964 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)n1cnc2ccccc21 ZINC000267306523 443412843 /nfs/dbraw/zinc/41/28/43/443412843.db2.gz ZBAHKBCGLJHOMI-HNNXBMFYSA-N 2 2 343.475 1.740 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000420366332 319611009 /nfs/dbraw/zinc/61/10/09/319611009.db2.gz MCVWRCZQSBBAQC-ZRGWGRIASA-N 2 2 345.491 1.987 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c[nH+]1 ZINC000267384702 443438862 /nfs/dbraw/zinc/43/88/62/443438862.db2.gz VSURLIHDEDDLGS-INIZCTEOSA-N 2 2 347.463 1.011 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000269702936 443402838 /nfs/dbraw/zinc/40/28/38/443402838.db2.gz MTHZYPGFQJHZFL-INIZCTEOSA-N 2 2 325.416 1.348 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCOc2ccccc2)CC1 ZINC000267281061 443403872 /nfs/dbraw/zinc/40/38/72/443403872.db2.gz GXCUVTKVNFWXEP-UHFFFAOYSA-N 2 2 334.464 1.391 20 0 EDADLP COCCCn1nccc1C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000282878576 443457466 /nfs/dbraw/zinc/45/74/66/443457466.db2.gz WMSYTZVKXKJLFC-UHFFFAOYSA-N 2 2 345.447 1.645 20 0 EDADLP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272856170 443469330 /nfs/dbraw/zinc/46/93/30/443469330.db2.gz TYLRQAXIUNVDRC-KVSKMBFKSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272856170 443469332 /nfs/dbraw/zinc/46/93/32/443469332.db2.gz TYLRQAXIUNVDRC-KVSKMBFKSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000423159482 319753019 /nfs/dbraw/zinc/75/30/19/319753019.db2.gz YBXURIARTLISIW-CZUORRHYSA-N 2 2 325.478 1.557 20 0 EDADLP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(C(F)(F)F)c1 ZINC000423516129 319780296 /nfs/dbraw/zinc/78/02/96/319780296.db2.gz NMBBTWBRHOHZRZ-LSDHHAIUSA-N 2 2 331.382 1.886 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC2)c1 ZINC000423817759 319816051 /nfs/dbraw/zinc/81/60/51/319816051.db2.gz ZLPJYTMJQRNIOO-CABCVRRESA-N 2 2 335.448 1.202 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449389457 320186963 /nfs/dbraw/zinc/18/69/63/320186963.db2.gz DABLKZKVWYUXNE-WBVHZDCISA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000449389457 320186966 /nfs/dbraw/zinc/18/69/66/320186966.db2.gz DABLKZKVWYUXNE-WBVHZDCISA-N 2 2 349.475 1.849 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(=O)[nH]n1 ZINC000286224905 443671641 /nfs/dbraw/zinc/67/16/41/443671641.db2.gz SPALMPFNMPXBBH-HNNXBMFYSA-N 3 2 342.447 1.028 20 0 EDADLP C[C@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451449138 320234529 /nfs/dbraw/zinc/23/45/29/320234529.db2.gz BLGIXORFRVJTLJ-HOCLYGCPSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451449138 320234533 /nfs/dbraw/zinc/23/45/33/320234533.db2.gz BLGIXORFRVJTLJ-HOCLYGCPSA-N 2 2 337.489 1.238 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000452117061 320242663 /nfs/dbraw/zinc/24/26/63/320242663.db2.gz NLEMWCCBURVJKU-KRWDZBQOSA-N 2 2 348.491 1.338 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000452117061 320242664 /nfs/dbraw/zinc/24/26/64/320242664.db2.gz NLEMWCCBURVJKU-KRWDZBQOSA-N 2 2 348.491 1.338 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000457455811 320326593 /nfs/dbraw/zinc/32/65/93/320326593.db2.gz MXUALZJXJGHCRU-ZIAGYGMSSA-N 2 2 343.431 1.517 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC1 ZINC000459809458 320349900 /nfs/dbraw/zinc/34/99/00/320349900.db2.gz SRFWGJGPCVVHLN-RYQLBKOJSA-N 2 2 337.508 1.412 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC1 ZINC000459809458 320349901 /nfs/dbraw/zinc/34/99/01/320349901.db2.gz SRFWGJGPCVVHLN-RYQLBKOJSA-N 2 2 337.508 1.412 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCC2)CCO1 ZINC000492080928 320375184 /nfs/dbraw/zinc/37/51/84/320375184.db2.gz KXAGRYBQUTXZAW-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCC2)CCO1 ZINC000492080928 320375183 /nfs/dbraw/zinc/37/51/83/320375183.db2.gz KXAGRYBQUTXZAW-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000492760077 320385158 /nfs/dbraw/zinc/38/51/58/320385158.db2.gz DBEVXGHSDOSREO-PLNGDYQASA-N 2 2 328.420 1.374 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000492760077 320385159 /nfs/dbraw/zinc/38/51/59/320385159.db2.gz DBEVXGHSDOSREO-PLNGDYQASA-N 2 2 328.420 1.374 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000492771943 320385678 /nfs/dbraw/zinc/38/56/78/320385678.db2.gz SIDDATQRTQXEET-ONEGZZNKSA-N 2 2 332.448 1.774 20 0 EDADLP CN(C)S(=O)(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000286249841 443676654 /nfs/dbraw/zinc/67/66/54/443676654.db2.gz CTHGKMLXQBKJEB-KRWDZBQOSA-N 2 2 339.505 1.332 20 0 EDADLP CN(C)S(=O)(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000286249841 443676656 /nfs/dbraw/zinc/67/66/56/443676656.db2.gz CTHGKMLXQBKJEB-KRWDZBQOSA-N 2 2 339.505 1.332 20 0 EDADLP CN(C)S(=O)(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000286249841 443676658 /nfs/dbraw/zinc/67/66/58/443676658.db2.gz CTHGKMLXQBKJEB-KRWDZBQOSA-N 2 2 339.505 1.332 20 0 EDADLP CN(C)S(=O)(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000286249841 443676660 /nfs/dbraw/zinc/67/66/60/443676660.db2.gz CTHGKMLXQBKJEB-KRWDZBQOSA-N 2 2 339.505 1.332 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000514598773 320429341 /nfs/dbraw/zinc/42/93/41/320429341.db2.gz KZVYBHSDTBRSFZ-QGZVFWFLSA-N 2 2 330.432 1.040 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCC1 ZINC000286381664 443702070 /nfs/dbraw/zinc/70/20/70/443702070.db2.gz NEGGTZYQMKRYBS-CQSZACIVSA-N 2 2 347.463 1.106 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCC1 ZINC000286381664 443702074 /nfs/dbraw/zinc/70/20/74/443702074.db2.gz NEGGTZYQMKRYBS-CQSZACIVSA-N 2 2 347.463 1.106 20 0 EDADLP Fc1ccc(OCC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000517020434 320445646 /nfs/dbraw/zinc/44/56/46/320445646.db2.gz GOVCSTURRANMTB-UHFFFAOYSA-N 2 2 345.422 1.779 20 0 EDADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000288433572 443880263 /nfs/dbraw/zinc/88/02/63/443880263.db2.gz HZZLBAJPNAGMMO-MRXNPFEDSA-N 2 2 328.416 1.449 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000298842432 443883818 /nfs/dbraw/zinc/88/38/18/443883818.db2.gz WSABXCAVEFNNGI-HUUCEWRRSA-N 2 2 347.463 1.406 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c[nH+]1 ZINC000277040393 443892449 /nfs/dbraw/zinc/89/24/49/443892449.db2.gz LXDYLCMMZHWILX-CQSZACIVSA-N 2 2 328.420 1.199 20 0 EDADLP Cc1ncc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000538740106 320746135 /nfs/dbraw/zinc/74/61/35/320746135.db2.gz JTRVFSOXLRPNNL-UHFFFAOYSA-N 2 2 331.464 1.161 20 0 EDADLP COc1cccc2c1CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C2 ZINC000277177754 443928553 /nfs/dbraw/zinc/92/85/53/443928553.db2.gz HQBMPPULUDYKNL-NVXWUHKLSA-N 2 2 331.460 1.482 20 0 EDADLP COc1cccc2c1CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C2 ZINC000277177754 443928557 /nfs/dbraw/zinc/92/85/57/443928557.db2.gz HQBMPPULUDYKNL-NVXWUHKLSA-N 2 2 331.460 1.482 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000299143395 443966757 /nfs/dbraw/zinc/96/67/57/443966757.db2.gz YJMKBMLXBYYBGY-AWEZNQCLSA-N 2 2 332.452 1.945 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)c1cc(NC[C@H](C)O)nc[nH+]1 ZINC000299143395 443966760 /nfs/dbraw/zinc/96/67/60/443966760.db2.gz YJMKBMLXBYYBGY-AWEZNQCLSA-N 2 2 332.452 1.945 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548639304 320889058 /nfs/dbraw/zinc/88/90/58/320889058.db2.gz SYGMAXSVOHMOII-INIZCTEOSA-N 2 2 339.443 1.934 20 0 EDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000548815862 320898262 /nfs/dbraw/zinc/89/82/62/320898262.db2.gz SKUCZHPHIQRXFR-UHFFFAOYSA-N 2 2 331.819 1.750 20 0 EDADLP C[C@@H]1CN(CC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000281885420 444032233 /nfs/dbraw/zinc/03/22/33/444032233.db2.gz ANEXMWPTRWFXNR-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1CN(CC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000281885420 444032234 /nfs/dbraw/zinc/03/22/34/444032234.db2.gz ANEXMWPTRWFXNR-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885420 444032235 /nfs/dbraw/zinc/03/22/35/444032235.db2.gz ANEXMWPTRWFXNR-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885420 444032237 /nfs/dbraw/zinc/03/22/37/444032237.db2.gz ANEXMWPTRWFXNR-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000281885420 444032238 /nfs/dbraw/zinc/03/22/38/444032238.db2.gz ANEXMWPTRWFXNR-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000281885420 444032239 /nfs/dbraw/zinc/03/22/39/444032239.db2.gz ANEXMWPTRWFXNR-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885420 444032240 /nfs/dbraw/zinc/03/22/40/444032240.db2.gz ANEXMWPTRWFXNR-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885420 444032241 /nfs/dbraw/zinc/03/22/41/444032241.db2.gz ANEXMWPTRWFXNR-MJGOQNOKSA-N 2 2 332.492 1.556 20 0 EDADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000285642100 444057712 /nfs/dbraw/zinc/05/77/12/444057712.db2.gz XUMMPYYIBGZDRE-ALOPSCKCSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000285642100 444057717 /nfs/dbraw/zinc/05/77/17/444057717.db2.gz XUMMPYYIBGZDRE-ALOPSCKCSA-N 2 2 331.460 1.868 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ncc[nH]1 ZINC000556869024 320996195 /nfs/dbraw/zinc/99/61/95/320996195.db2.gz DEIPYWBRNUCRKJ-CQSZACIVSA-N 2 2 328.420 1.194 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000557116149 321000184 /nfs/dbraw/zinc/00/01/84/321000184.db2.gz NFJAOQICGKLHBN-CVEARBPZSA-N 2 2 341.459 1.908 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000561145308 321034862 /nfs/dbraw/zinc/03/48/62/321034862.db2.gz MBORXMZZYQWFGP-IAGOWNOFSA-N 2 2 332.448 1.111 20 0 EDADLP C[C@]1(CNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC[NH2+]C1 ZINC000561145489 321034933 /nfs/dbraw/zinc/03/49/33/321034933.db2.gz LQXOURGCCCJILN-SFHVURJKSA-N 2 2 347.463 1.107 20 0 EDADLP C[NH2+][C@@H](C)C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000563414797 321109775 /nfs/dbraw/zinc/10/97/75/321109775.db2.gz AUJJYBXCIINZCU-NHYWBVRUSA-N 2 2 332.404 1.251 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1nccn1-c1ccccc1 ZINC000564446552 321131928 /nfs/dbraw/zinc/13/19/28/321131928.db2.gz POBMPNXVXPSBBB-SJLPKXTDSA-N 2 2 343.475 1.131 20 0 EDADLP C[C@H](C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[NH+]1CC(C)C1 ZINC000565178595 321173324 /nfs/dbraw/zinc/17/33/24/321173324.db2.gz BUCXOBRBJKZOBH-MJGOQNOKSA-N 2 2 344.503 1.432 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)C(C)(C)C)CC2)CC1 ZINC000565189547 321175901 /nfs/dbraw/zinc/17/59/01/321175901.db2.gz HKQJLGATRDNLPM-UHFFFAOYSA-N 2 2 337.508 1.914 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000565674052 321197047 /nfs/dbraw/zinc/19/70/47/321197047.db2.gz JLXQLGCYWSEAFU-UHFFFAOYSA-N 2 2 347.463 1.425 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000565674052 321197048 /nfs/dbraw/zinc/19/70/48/321197048.db2.gz JLXQLGCYWSEAFU-UHFFFAOYSA-N 2 2 347.463 1.425 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000565674052 321197050 /nfs/dbraw/zinc/19/70/50/321197050.db2.gz JLXQLGCYWSEAFU-UHFFFAOYSA-N 2 2 347.463 1.425 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000565674052 321197051 /nfs/dbraw/zinc/19/70/51/321197051.db2.gz JLXQLGCYWSEAFU-UHFFFAOYSA-N 2 2 347.463 1.425 20 0 EDADLP c1c[nH+]c(CN2CC[NH+](C[C@H]3CN(c4ccccc4)CCO3)CC2)[nH]1 ZINC000566416688 321229231 /nfs/dbraw/zinc/22/92/31/321229231.db2.gz JHEBWMHBSHNAPC-SFHVURJKSA-N 2 2 341.459 1.433 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000566440859 321231169 /nfs/dbraw/zinc/23/11/69/321231169.db2.gz UGZUZAPWLQADMQ-CZUORRHYSA-N 2 2 342.447 1.762 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000566440859 321231171 /nfs/dbraw/zinc/23/11/71/321231171.db2.gz UGZUZAPWLQADMQ-CZUORRHYSA-N 2 2 342.447 1.762 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000567894520 321266955 /nfs/dbraw/zinc/26/69/55/321266955.db2.gz AGLBBFMWFNPXIL-MFKMUULPSA-N 2 2 334.342 1.503 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000568190201 321279733 /nfs/dbraw/zinc/27/97/33/321279733.db2.gz BZQBLMCIGVCDOI-WBVHZDCISA-N 2 2 333.480 1.217 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000568190201 321279734 /nfs/dbraw/zinc/27/97/34/321279734.db2.gz BZQBLMCIGVCDOI-WBVHZDCISA-N 2 2 333.480 1.217 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000568190201 321279736 /nfs/dbraw/zinc/27/97/36/321279736.db2.gz BZQBLMCIGVCDOI-WBVHZDCISA-N 2 2 333.480 1.217 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000568190201 321279737 /nfs/dbraw/zinc/27/97/37/321279737.db2.gz BZQBLMCIGVCDOI-WBVHZDCISA-N 2 2 333.480 1.217 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1([NH+]2CCOCC2)CCCC1 ZINC000568765045 321305344 /nfs/dbraw/zinc/30/53/44/321305344.db2.gz PSGMIXJWTYGYBU-LSDHHAIUSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000568765045 321305345 /nfs/dbraw/zinc/30/53/45/321305345.db2.gz PSGMIXJWTYGYBU-LSDHHAIUSA-N 2 2 334.464 1.738 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998559 321313987 /nfs/dbraw/zinc/31/39/87/321313987.db2.gz XPDDWZBOEXTPKH-AWEZNQCLSA-N 2 2 325.419 1.648 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998559 321313989 /nfs/dbraw/zinc/31/39/89/321313989.db2.gz XPDDWZBOEXTPKH-AWEZNQCLSA-N 2 2 325.419 1.648 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998559 321313990 /nfs/dbraw/zinc/31/39/90/321313990.db2.gz XPDDWZBOEXTPKH-AWEZNQCLSA-N 2 2 325.419 1.648 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998559 321313992 /nfs/dbraw/zinc/31/39/92/321313992.db2.gz XPDDWZBOEXTPKH-AWEZNQCLSA-N 2 2 325.419 1.648 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCOc1cccc(F)c1 ZINC000569245690 321322533 /nfs/dbraw/zinc/32/25/33/321322533.db2.gz NLONZRRVXOPQNE-GOSISDBHSA-N 2 2 335.423 1.396 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCOc1cccc(F)c1 ZINC000569245690 321322534 /nfs/dbraw/zinc/32/25/34/321322534.db2.gz NLONZRRVXOPQNE-GOSISDBHSA-N 2 2 335.423 1.396 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000569481972 321327529 /nfs/dbraw/zinc/32/75/29/321327529.db2.gz WUHYZILSAQVJJJ-KRWDZBQOSA-N 2 2 332.448 1.152 20 0 EDADLP C[C@H](C[NH2+][C@H](c1nnc[nH]1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000289363178 444118651 /nfs/dbraw/zinc/11/86/51/444118651.db2.gz ZKWSHRFXHRXBLL-WBVHZDCISA-N 2 2 328.464 1.367 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000570934121 321364713 /nfs/dbraw/zinc/36/47/13/321364713.db2.gz GKKWNSMVHGCDMX-DNVCBOLYSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000570934121 321364714 /nfs/dbraw/zinc/36/47/14/321364714.db2.gz GKKWNSMVHGCDMX-DNVCBOLYSA-N 3 2 344.503 1.424 20 0 EDADLP CCCCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1(C)C ZINC000571387467 321385238 /nfs/dbraw/zinc/38/52/38/321385238.db2.gz PILMTZFNPCKXLJ-SOUVJXGZSA-N 2 2 326.485 1.255 20 0 EDADLP CCCCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1(C)C ZINC000571387467 321385240 /nfs/dbraw/zinc/38/52/40/321385240.db2.gz PILMTZFNPCKXLJ-SOUVJXGZSA-N 2 2 326.485 1.255 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CCn2cc[nH+]c2)[NH+]2CCOCC2)cc1 ZINC000299657149 444107779 /nfs/dbraw/zinc/10/77/79/444107779.db2.gz MDFMWBVCSVHDIU-SFHVURJKSA-N 2 2 342.443 1.771 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000289338827 444111856 /nfs/dbraw/zinc/11/18/56/444111856.db2.gz IXFQFGWNBQPBJW-GUYCJALGSA-N 2 2 333.432 1.749 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000289338827 444111858 /nfs/dbraw/zinc/11/18/58/444111858.db2.gz IXFQFGWNBQPBJW-GUYCJALGSA-N 2 2 333.432 1.749 20 0 EDADLP COCCOCC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289403944 444131198 /nfs/dbraw/zinc/13/11/98/444131198.db2.gz SZESJXJZAVANOI-IBGZPJMESA-N 2 2 336.476 1.607 20 0 EDADLP COCCOCC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289403944 444131202 /nfs/dbraw/zinc/13/12/02/444131202.db2.gz SZESJXJZAVANOI-IBGZPJMESA-N 2 2 336.476 1.607 20 0 EDADLP COCCOCC[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289403944 444131206 /nfs/dbraw/zinc/13/12/06/444131206.db2.gz SZESJXJZAVANOI-IBGZPJMESA-N 2 2 336.476 1.607 20 0 EDADLP COCCOCC[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289403944 444131210 /nfs/dbraw/zinc/13/12/10/444131210.db2.gz SZESJXJZAVANOI-IBGZPJMESA-N 2 2 336.476 1.607 20 0 EDADLP CNc1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]c2ccccc21 ZINC000572352675 321427261 /nfs/dbraw/zinc/42/72/61/321427261.db2.gz TUSPWUZGCQSMTJ-AWEZNQCLSA-N 2 2 341.459 1.428 20 0 EDADLP C[N@H+](CC[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1)Cc1ccccc1 ZINC000296131339 444206713 /nfs/dbraw/zinc/20/67/13/444206713.db2.gz WOYHOWJDWAZZLQ-RBUKOAKNSA-N 2 2 343.475 1.976 20 0 EDADLP C[N@@H+](CC[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1)Cc1ccccc1 ZINC000296131339 444206716 /nfs/dbraw/zinc/20/67/16/444206716.db2.gz WOYHOWJDWAZZLQ-RBUKOAKNSA-N 2 2 343.475 1.976 20 0 EDADLP Cc1ccc([C@H](CNc2cc[nH+]cc2C(N)=O)[NH+]2CCOCC2)cc1 ZINC000302209429 444209024 /nfs/dbraw/zinc/20/90/24/444209024.db2.gz FWXPPSLZPBPSOU-SFHVURJKSA-N 2 2 340.427 1.974 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[C@@H](C[NH+]4CCOCC4)C3)nc[nH+]2)C1 ZINC000301470299 444174035 /nfs/dbraw/zinc/17/40/35/444174035.db2.gz SJAUCENVJDOJGR-SJORKVTESA-N 2 2 345.491 1.871 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000289602066 444180209 /nfs/dbraw/zinc/18/02/09/444180209.db2.gz DKGCHSZQUIDJOV-UHFFFAOYSA-N 2 2 329.448 1.981 20 0 EDADLP CC(C)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1COC1 ZINC000295471863 444185182 /nfs/dbraw/zinc/18/51/82/444185182.db2.gz QUTCUTDEERRYTM-UHFFFAOYSA-N 2 2 332.448 1.230 20 0 EDADLP CC(C)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1COC1 ZINC000295471863 444185183 /nfs/dbraw/zinc/18/51/83/444185183.db2.gz QUTCUTDEERRYTM-UHFFFAOYSA-N 2 2 332.448 1.230 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC[C@H]21 ZINC000301700606 444186401 /nfs/dbraw/zinc/18/64/01/444186401.db2.gz FOQREFOORNIFIK-GVDBMIGSSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC[C@H]21 ZINC000301700606 444186402 /nfs/dbraw/zinc/18/64/02/444186402.db2.gz FOQREFOORNIFIK-GVDBMIGSSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC[C@H]21 ZINC000301700606 444186405 /nfs/dbraw/zinc/18/64/05/444186405.db2.gz FOQREFOORNIFIK-GVDBMIGSSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC[C@H]21 ZINC000301700606 444186407 /nfs/dbraw/zinc/18/64/07/444186407.db2.gz FOQREFOORNIFIK-GVDBMIGSSA-N 2 2 345.491 1.606 20 0 EDADLP CN(C)c1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000301735221 444188362 /nfs/dbraw/zinc/18/83/62/444188362.db2.gz QVRSSDHOQJCMJB-UHFFFAOYSA-N 2 2 327.436 1.302 20 0 EDADLP CCOc1cncc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000301869031 444194463 /nfs/dbraw/zinc/19/44/63/444194463.db2.gz WDGPTIZYQGUSLO-XYPWUTKMSA-N 2 2 331.464 1.623 20 0 EDADLP CCOc1cncc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000301869031 444194464 /nfs/dbraw/zinc/19/44/64/444194464.db2.gz WDGPTIZYQGUSLO-XYPWUTKMSA-N 2 2 331.464 1.623 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)nn1 ZINC000289765997 444200519 /nfs/dbraw/zinc/20/05/19/444200519.db2.gz OYFHBPOPDMDIEU-UHFFFAOYSA-N 2 2 342.491 1.896 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)nn1 ZINC000289765997 444200521 /nfs/dbraw/zinc/20/05/21/444200521.db2.gz OYFHBPOPDMDIEU-UHFFFAOYSA-N 2 2 342.491 1.896 20 0 EDADLP CCc1cc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)nc(C)[nH+]1 ZINC000302065227 444202734 /nfs/dbraw/zinc/20/27/34/444202734.db2.gz VTYWBBRLAGQGSE-UHFFFAOYSA-N 2 2 327.436 1.530 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000305099631 444257656 /nfs/dbraw/zinc/25/76/56/444257656.db2.gz YGJYJDPZAUOJAP-ARFHVFGLSA-N 2 2 340.512 1.515 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000305099631 444257657 /nfs/dbraw/zinc/25/76/57/444257657.db2.gz YGJYJDPZAUOJAP-ARFHVFGLSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000305143344 444260948 /nfs/dbraw/zinc/26/09/48/444260948.db2.gz QYHKGAIXEPSENT-JSGCOSHPSA-N 2 2 344.452 1.337 20 0 EDADLP CC(C)[C@@H](O)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000305164627 444262284 /nfs/dbraw/zinc/26/22/84/444262284.db2.gz GXTFMXTZMLWAAE-INIZCTEOSA-N 2 2 325.497 1.460 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cn2cc[nH+]c12 ZINC000296979851 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1.916 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[C@H](C)[N@@H+]1C ZINC000296603500 444242840 /nfs/dbraw/zinc/24/28/40/444242840.db2.gz OTKWRMWNJDOOJY-GASCZTMLSA-N 2 2 331.464 1.916 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000315846522 444306729 /nfs/dbraw/zinc/30/67/29/444306729.db2.gz GAEOWFSQXBBVCP-UHFFFAOYSA-N 2 2 345.274 1.769 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000315846522 444306732 /nfs/dbraw/zinc/30/67/32/444306732.db2.gz GAEOWFSQXBBVCP-UHFFFAOYSA-N 2 2 345.274 1.769 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000297651634 444314037 /nfs/dbraw/zinc/31/40/37/444314037.db2.gz FBNIKDMMQFYVEY-CABCVRRESA-N 2 2 347.463 1.119 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000578063108 321715459 /nfs/dbraw/zinc/71/54/59/321715459.db2.gz CJSDPSOCCHTDCY-MRXNPFEDSA-N 2 2 348.495 1.672 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000297896833 444351477 /nfs/dbraw/zinc/35/14/77/444351477.db2.gz PYDRDWZTMMLSDR-HOTGVXAUSA-N 2 2 349.479 1.091 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297753681 444329080 /nfs/dbraw/zinc/32/90/80/444329080.db2.gz DXQAKSOIMCDCLN-CYBMUJFWSA-N 2 2 329.404 1.263 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)n(C)n1 ZINC000328672877 444424013 /nfs/dbraw/zinc/42/40/13/444424013.db2.gz OQINZZPZOMGDEC-CVEARBPZSA-N 2 2 341.415 1.382 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)n(C)n1 ZINC000328672877 444424016 /nfs/dbraw/zinc/42/40/16/444424016.db2.gz OQINZZPZOMGDEC-CVEARBPZSA-N 2 2 341.415 1.382 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000337949217 444467786 /nfs/dbraw/zinc/46/77/86/444467786.db2.gz GBWTYHSWESLCCA-XYJFISCASA-N 2 2 331.460 1.596 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000337949217 444467787 /nfs/dbraw/zinc/46/77/87/444467787.db2.gz GBWTYHSWESLCCA-XYJFISCASA-N 2 2 331.460 1.596 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340652166 444472560 /nfs/dbraw/zinc/47/25/60/444472560.db2.gz ZVXKUZHIOLDGCU-CVEARBPZSA-N 2 2 349.479 1.015 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000340652166 444472563 /nfs/dbraw/zinc/47/25/63/444472563.db2.gz ZVXKUZHIOLDGCU-CVEARBPZSA-N 2 2 349.479 1.015 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000328697207 444433194 /nfs/dbraw/zinc/43/31/94/444433194.db2.gz LFGIVZHWFLOMJM-HZPDHXFCSA-N 2 2 331.464 1.990 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337997993 444482321 /nfs/dbraw/zinc/48/23/21/444482321.db2.gz QVXLJYREGWSWLL-BZUAXINKSA-N 2 2 329.448 1.586 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337997993 444482324 /nfs/dbraw/zinc/48/23/24/444482324.db2.gz QVXLJYREGWSWLL-BZUAXINKSA-N 2 2 329.448 1.586 20 0 EDADLP C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@]1(C)CC[NH2+]C1 ZINC000340700480 444482663 /nfs/dbraw/zinc/48/26/63/444482663.db2.gz CRXNCQVQHLWOIC-QGZVFWFLSA-N 2 2 340.489 1.790 20 0 EDADLP C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@]1(C)CC[NH2+]C1 ZINC000340700480 444482666 /nfs/dbraw/zinc/48/26/66/444482666.db2.gz CRXNCQVQHLWOIC-QGZVFWFLSA-N 2 2 340.489 1.790 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)[C@H]2CCCCN12 ZINC000338006350 444484653 /nfs/dbraw/zinc/48/46/53/444484653.db2.gz AOTSMJDBFUZLHU-QZTJIDSGSA-N 2 2 328.460 1.789 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCCCc2ccccc2)CC1 ZINC000340716357 444486653 /nfs/dbraw/zinc/48/66/53/444486653.db2.gz UIUBGWMJBJOOGM-UHFFFAOYSA-N 2 2 341.459 1.291 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000580071356 322005499 /nfs/dbraw/zinc/00/54/99/322005499.db2.gz OSZSUHYLTRZIOJ-LSDHHAIUSA-N 2 2 334.464 1.648 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000580420807 322048221 /nfs/dbraw/zinc/04/82/21/322048221.db2.gz RORFVRULJABHAX-HNNXBMFYSA-N 2 2 349.479 1.494 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC([C@H](C)[NH3+])CC3)ccc2n1C ZINC000580537838 322062937 /nfs/dbraw/zinc/06/29/37/322062937.db2.gz QLOOBWIKJSBYDM-NSHDSACASA-N 2 2 343.431 1.406 20 0 EDADLP C[C@H](O)CNc1cc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc[nH+]1 ZINC000581118332 322137723 /nfs/dbraw/zinc/13/77/23/322137723.db2.gz OKOPPJFQECVYEM-ZNMIVQPWSA-N 2 2 335.452 1.325 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccccn2)[C@@H](C[NH3+])C1 ZINC000581359322 322167978 /nfs/dbraw/zinc/16/79/78/322167978.db2.gz LYQGCSKXQQUTBP-WMZOPIPTSA-N 2 2 339.443 1.455 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccccn2)[C@@H](C[NH3+])C1 ZINC000581359322 322167981 /nfs/dbraw/zinc/16/79/81/322167981.db2.gz LYQGCSKXQQUTBP-WMZOPIPTSA-N 2 2 339.443 1.455 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)ccc2n1C ZINC000581367692 322169328 /nfs/dbraw/zinc/16/93/28/322169328.db2.gz NEXKVHSSVWTAPJ-ZDUSSCGKSA-N 2 2 329.404 1.079 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)n2c1 ZINC000329259801 444515302 /nfs/dbraw/zinc/51/53/02/444515302.db2.gz FMTMQKDCNYWRBR-WMLDXEAASA-N 2 2 349.456 1.469 20 0 EDADLP O=C1NC[C@@H]2[C@@H]1CCC[N@@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342139881 444529683 /nfs/dbraw/zinc/52/96/83/444529683.db2.gz UCPWXSIWBSAYJQ-CEXWTWQISA-N 2 2 343.471 1.488 20 0 EDADLP O=C1NC[C@@H]2[C@@H]1CCC[N@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342139881 444529686 /nfs/dbraw/zinc/52/96/86/444529686.db2.gz UCPWXSIWBSAYJQ-CEXWTWQISA-N 2 2 343.471 1.488 20 0 EDADLP O=C1NC[C@@H]2[C@@H]1CCC[NH+]2C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342139881 444529689 /nfs/dbraw/zinc/52/96/89/444529689.db2.gz UCPWXSIWBSAYJQ-CEXWTWQISA-N 2 2 343.471 1.488 20 0 EDADLP O=C1NC[C@@H]2[C@@H]1CCC[NH+]2C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342139881 444529690 /nfs/dbraw/zinc/52/96/90/444529690.db2.gz UCPWXSIWBSAYJQ-CEXWTWQISA-N 2 2 343.471 1.488 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000332808174 444560033 /nfs/dbraw/zinc/56/00/33/444560033.db2.gz IBVUOODEGWZEFS-HOCLYGCPSA-N 2 2 335.496 1.650 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000332808174 444560036 /nfs/dbraw/zinc/56/00/36/444560036.db2.gz IBVUOODEGWZEFS-HOCLYGCPSA-N 2 2 335.496 1.650 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332816270 444562677 /nfs/dbraw/zinc/56/26/77/444562677.db2.gz FUFUIEWHYWDQGZ-GOEBONIOSA-N 2 2 347.463 1.224 20 0 EDADLP Cc1c(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cnn1C ZINC000343750881 444563985 /nfs/dbraw/zinc/56/39/85/444563985.db2.gz DZESGMPORZGLHK-JWTNVVGKSA-N 2 2 345.491 1.040 20 0 EDADLP Cc1c(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cnn1C ZINC000343750881 444563988 /nfs/dbraw/zinc/56/39/88/444563988.db2.gz DZESGMPORZGLHK-JWTNVVGKSA-N 2 2 345.491 1.040 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000343711171 444537840 /nfs/dbraw/zinc/53/78/40/444537840.db2.gz FDHHKAVVQQYLRY-UHFFFAOYSA-N 2 2 337.489 1.680 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000343775720 444583265 /nfs/dbraw/zinc/58/32/65/444583265.db2.gz FDACQGNDJALKMY-INIZCTEOSA-N 2 2 346.475 1.093 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000343775720 444583268 /nfs/dbraw/zinc/58/32/68/444583268.db2.gz FDACQGNDJALKMY-INIZCTEOSA-N 2 2 346.475 1.093 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000343850883 444627555 /nfs/dbraw/zinc/62/75/55/444627555.db2.gz CRVRMZBHQFRBEE-GJZGRUSLSA-N 2 2 337.489 1.546 20 0 EDADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@H]21 ZINC000329559765 444629226 /nfs/dbraw/zinc/62/92/26/444629226.db2.gz RARZMJMPFSAWLR-SJORKVTESA-N 2 2 326.400 1.086 20 0 EDADLP C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@H]21 ZINC000329559765 444629230 /nfs/dbraw/zinc/62/92/30/444629230.db2.gz RARZMJMPFSAWLR-SJORKVTESA-N 2 2 326.400 1.086 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1)C(=O)OC ZINC000338256649 444591986 /nfs/dbraw/zinc/59/19/86/444591986.db2.gz YGGLHUNWIGVFKQ-WMLDXEAASA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1)C(=O)OC ZINC000338256649 444591987 /nfs/dbraw/zinc/59/19/87/444591987.db2.gz YGGLHUNWIGVFKQ-WMLDXEAASA-N 2 2 341.496 1.495 20 0 EDADLP CCc1ccccc1NC(=O)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338262404 444595292 /nfs/dbraw/zinc/59/52/92/444595292.db2.gz GKKWBBULXWVLHH-UHFFFAOYSA-N 2 2 346.475 1.283 20 0 EDADLP CCc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338262404 444595296 /nfs/dbraw/zinc/59/52/96/444595296.db2.gz GKKWBBULXWVLHH-UHFFFAOYSA-N 2 2 346.475 1.283 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000332984052 444620336 /nfs/dbraw/zinc/62/03/36/444620336.db2.gz SONLRNYRGFHKJI-INMHGKMJSA-N 2 2 343.475 1.856 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000332984052 444620339 /nfs/dbraw/zinc/62/03/39/444620339.db2.gz SONLRNYRGFHKJI-INMHGKMJSA-N 2 2 343.475 1.856 20 0 EDADLP CC1CC[NH+](CCNC(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000332993431 444624129 /nfs/dbraw/zinc/62/41/29/444624129.db2.gz BHWZKAHEQJQSDQ-DOTOQJQBSA-N 2 2 349.479 1.671 20 0 EDADLP Cc1nc(CN2C[C@H](F)C[C@H]2C[N@H+](C)CCCn2cc[nH+]c2)no1 ZINC000342357562 444653203 /nfs/dbraw/zinc/65/32/03/444653203.db2.gz MZYZEAREMKCUEM-CABCVRRESA-N 2 2 336.415 1.509 20 0 EDADLP Cc1nc(CN2C[C@H](F)C[C@H]2C[N@@H+](C)CCCn2cc[nH+]c2)no1 ZINC000342357562 444653208 /nfs/dbraw/zinc/65/32/08/444653208.db2.gz MZYZEAREMKCUEM-CABCVRRESA-N 2 2 336.415 1.509 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000333331918 444657926 /nfs/dbraw/zinc/65/79/26/444657926.db2.gz WIUYTIWTKKRFDN-ZBFHGGJFSA-N 2 2 331.464 1.288 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000333331918 444657930 /nfs/dbraw/zinc/65/79/30/444657930.db2.gz WIUYTIWTKKRFDN-ZBFHGGJFSA-N 2 2 331.464 1.288 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@@H+]1C ZINC000341167549 444706104 /nfs/dbraw/zinc/70/61/04/444706104.db2.gz PMMFVMIUBYTLNZ-GHMZBOCLSA-N 2 2 333.358 1.727 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@H+]1C ZINC000341167549 444706108 /nfs/dbraw/zinc/70/61/08/444706108.db2.gz PMMFVMIUBYTLNZ-GHMZBOCLSA-N 2 2 333.358 1.727 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333897456 444711961 /nfs/dbraw/zinc/71/19/61/444711961.db2.gz IFCSVTLHDSHMET-CABCVRRESA-N 2 2 327.432 1.738 20 0 EDADLP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342488283 444712416 /nfs/dbraw/zinc/71/24/16/444712416.db2.gz HOWDSGURYXQAGM-KGLIPLIRSA-N 2 2 327.469 1.297 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000343995176 444716015 /nfs/dbraw/zinc/71/60/15/444716015.db2.gz PFXGHBDPUCYBQC-TWMKSMIVSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C)[NH+]1CCOCC1 ZINC000343995176 444716019 /nfs/dbraw/zinc/71/60/19/444716019.db2.gz PFXGHBDPUCYBQC-TWMKSMIVSA-N 2 2 338.496 1.364 20 0 EDADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000333918122 444717680 /nfs/dbraw/zinc/71/76/80/444717680.db2.gz ODHZFDRZYDDWHL-IXDOHACOSA-N 2 2 343.475 1.297 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)C[C@H]12 ZINC000333926799 444721006 /nfs/dbraw/zinc/72/10/06/444721006.db2.gz VUGGWEOIDVXXJP-YESZJQIVSA-N 2 2 343.475 1.951 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC000342522762 444729730 /nfs/dbraw/zinc/72/97/30/444729730.db2.gz HRWUMRASHCGEIA-BBRMVZONSA-N 2 2 336.505 1.684 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC000342522762 444729735 /nfs/dbraw/zinc/72/97/35/444729735.db2.gz HRWUMRASHCGEIA-BBRMVZONSA-N 2 2 336.505 1.684 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)cs1 ZINC000342522762 444729738 /nfs/dbraw/zinc/72/97/38/444729738.db2.gz HRWUMRASHCGEIA-BBRMVZONSA-N 2 2 336.505 1.684 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)cs1 ZINC000342522762 444729742 /nfs/dbraw/zinc/72/97/42/444729742.db2.gz HRWUMRASHCGEIA-BBRMVZONSA-N 2 2 336.505 1.684 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCN2CCCC2=O)CC1 ZINC000342559944 444744785 /nfs/dbraw/zinc/74/47/85/444744785.db2.gz UFUOFGJECAFAMV-UHFFFAOYSA-N 2 2 325.453 1.006 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CC[NH+](C4CCCC4)CC3)nc[nH+]2)C1 ZINC000334041242 444757582 /nfs/dbraw/zinc/75/75/82/444757582.db2.gz OLYZNXWCTDYPRV-CVEARBPZSA-N 2 2 345.491 1.748 20 0 EDADLP COC(=O)COc1ccc(C[NH+]2CCC([N@H+](C)CCO)CC2)cc1 ZINC000341299454 444768044 /nfs/dbraw/zinc/76/80/44/444768044.db2.gz DKJRWZFJHHGGKD-UHFFFAOYSA-N 2 2 336.432 1.127 20 0 EDADLP COC(=O)COc1ccc(C[NH+]2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000341299454 444768047 /nfs/dbraw/zinc/76/80/47/444768047.db2.gz DKJRWZFJHHGGKD-UHFFFAOYSA-N 2 2 336.432 1.127 20 0 EDADLP O=S(=O)(NC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1)C1CC1 ZINC000344084615 444773508 /nfs/dbraw/zinc/77/35/08/444773508.db2.gz GGJFXZLYZRUHLB-CQSZACIVSA-N 2 2 326.466 1.067 20 0 EDADLP O=S(=O)(NC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1)C1CC1 ZINC000344084615 444773511 /nfs/dbraw/zinc/77/35/11/444773511.db2.gz GGJFXZLYZRUHLB-CQSZACIVSA-N 2 2 326.466 1.067 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000342613657 444776638 /nfs/dbraw/zinc/77/66/38/444776638.db2.gz IPOSCMFCUKGTRX-UHFFFAOYSA-N 2 2 327.476 1.946 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000342613657 444776644 /nfs/dbraw/zinc/77/66/44/444776644.db2.gz IPOSCMFCUKGTRX-UHFFFAOYSA-N 2 2 327.476 1.946 20 0 EDADLP Cc1[nH+]ccn1CCN(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000342613657 444776649 /nfs/dbraw/zinc/77/66/49/444776649.db2.gz IPOSCMFCUKGTRX-UHFFFAOYSA-N 2 2 327.476 1.946 20 0 EDADLP O[C@H](COCc1ccccc1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336717962 444796012 /nfs/dbraw/zinc/79/60/12/444796012.db2.gz YXIXKPBKJXPSQX-KRWDZBQOSA-N 2 2 330.432 1.105 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000336870431 444814750 /nfs/dbraw/zinc/81/47/50/444814750.db2.gz JJWPQACHANNNJC-UHFFFAOYSA-N 2 2 337.445 1.688 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000336870431 444814751 /nfs/dbraw/zinc/81/47/51/444814751.db2.gz JJWPQACHANNNJC-UHFFFAOYSA-N 2 2 337.445 1.688 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000342701407 444823648 /nfs/dbraw/zinc/82/36/48/444823648.db2.gz YNNZVEJUAWLAJD-CYBMUJFWSA-N 2 2 346.387 1.181 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338754416 444838091 /nfs/dbraw/zinc/83/80/91/444838091.db2.gz ARDUEMIMDVRCPF-UHFFFAOYSA-N 2 2 335.452 1.411 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)c1ccc(F)cc1 ZINC000342737536 444841456 /nfs/dbraw/zinc/84/14/56/444841456.db2.gz NCMOZLWKASFLPJ-UONOGXRCSA-N 2 2 329.366 1.789 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000344223063 444847277 /nfs/dbraw/zinc/84/72/77/444847277.db2.gz SCSKBXPSGUGVDG-CZUORRHYSA-N 2 2 326.462 1.399 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000344223063 444847280 /nfs/dbraw/zinc/84/72/80/444847280.db2.gz SCSKBXPSGUGVDG-CZUORRHYSA-N 2 2 326.462 1.399 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000342764500 444854881 /nfs/dbraw/zinc/85/48/81/444854881.db2.gz IMOYRVDXOYBTAH-CJNGLKHVSA-N 2 2 337.414 1.794 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[N@H+]1CCc2ccccc2C1 ZINC000342764500 444854883 /nfs/dbraw/zinc/85/48/83/444854883.db2.gz IMOYRVDXOYBTAH-CJNGLKHVSA-N 2 2 337.414 1.794 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)CCO1 ZINC000338924155 444934784 /nfs/dbraw/zinc/93/47/84/444934784.db2.gz DZOGPJZJWPZIFB-BEFAXECRSA-N 2 2 336.451 1.914 20 0 EDADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)CCO1 ZINC000338924155 444934787 /nfs/dbraw/zinc/93/47/87/444934787.db2.gz DZOGPJZJWPZIFB-BEFAXECRSA-N 2 2 336.451 1.914 20 0 EDADLP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000337361571 445048653 /nfs/dbraw/zinc/04/86/53/445048653.db2.gz ILBDHVAOFAWKBL-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000337361571 445048657 /nfs/dbraw/zinc/04/86/57/445048657.db2.gz ILBDHVAOFAWKBL-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP CO[C@H]1CCC[C@@H]1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000341881774 445050558 /nfs/dbraw/zinc/05/05/58/445050558.db2.gz ZDLNNBJOCUQSTE-AEFFLSMTSA-N 2 2 325.497 1.188 20 0 EDADLP CO[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000341881774 445050563 /nfs/dbraw/zinc/05/05/63/445050563.db2.gz ZDLNNBJOCUQSTE-AEFFLSMTSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@H](CC(N)=O)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000341899887 445061208 /nfs/dbraw/zinc/06/12/08/445061208.db2.gz ODNCLGFFDGSIKC-QGZVFWFLSA-N 2 2 332.492 1.438 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(N3CCc4ccccc43)CC2)CC1 ZINC000337435874 445080039 /nfs/dbraw/zinc/08/00/39/445080039.db2.gz IYTFEUWVRFUAJG-UHFFFAOYSA-N 2 2 342.487 1.288 20 0 EDADLP C[C@H](CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000337344132 445040236 /nfs/dbraw/zinc/04/02/36/445040236.db2.gz YOXSTDFUXQOHFD-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000337344132 445040239 /nfs/dbraw/zinc/04/02/39/445040239.db2.gz YOXSTDFUXQOHFD-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](c2ccc(OC)cc2)N2CCOCC2)C1 ZINC000343079081 445047064 /nfs/dbraw/zinc/04/70/64/445047064.db2.gz OAFSGAZXVVJBBY-PWIZWCRZSA-N 2 2 347.503 1.998 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](c2ccc(OC)cc2)N2CCOCC2)C1 ZINC000343079081 445047068 /nfs/dbraw/zinc/04/70/68/445047068.db2.gz OAFSGAZXVVJBBY-PWIZWCRZSA-N 2 2 347.503 1.998 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NCCc1cn2c([nH+]1)CCCC2 ZINC000337546667 445130200 /nfs/dbraw/zinc/13/02/00/445130200.db2.gz MTSMZJSWYPVZOC-UHFFFAOYSA-N 2 2 342.447 1.958 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)C1 ZINC000339427787 445137080 /nfs/dbraw/zinc/13/70/80/445137080.db2.gz BMRHALOHXLPAHS-LNLFQRSKSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)C1 ZINC000339427787 445137084 /nfs/dbraw/zinc/13/70/84/445137084.db2.gz BMRHALOHXLPAHS-LNLFQRSKSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)C1 ZINC000339427787 445137088 /nfs/dbraw/zinc/13/70/88/445137088.db2.gz BMRHALOHXLPAHS-LNLFQRSKSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)C1 ZINC000339427787 445137091 /nfs/dbraw/zinc/13/70/91/445137091.db2.gz BMRHALOHXLPAHS-LNLFQRSKSA-N 2 2 335.492 1.574 20 0 EDADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000339250984 445115539 /nfs/dbraw/zinc/11/55/39/445115539.db2.gz PUCZKYNKPLOTJA-YESZJQIVSA-N 2 2 325.497 1.724 20 0 EDADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000339250984 445115543 /nfs/dbraw/zinc/11/55/43/445115543.db2.gz PUCZKYNKPLOTJA-YESZJQIVSA-N 2 2 325.497 1.724 20 0 EDADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000339250983 445115808 /nfs/dbraw/zinc/11/58/08/445115808.db2.gz PUCZKYNKPLOTJA-ULQDDVLXSA-N 2 2 325.497 1.724 20 0 EDADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000339250983 445115811 /nfs/dbraw/zinc/11/58/11/445115811.db2.gz PUCZKYNKPLOTJA-ULQDDVLXSA-N 2 2 325.497 1.724 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000337567514 445141261 /nfs/dbraw/zinc/14/12/61/445141261.db2.gz XJXLMVMQRQGLSN-ROUUACIJSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000337567514 445141264 /nfs/dbraw/zinc/14/12/64/445141264.db2.gz XJXLMVMQRQGLSN-ROUUACIJSA-N 2 2 343.475 1.536 20 0 EDADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CCC[N@H+]1C ZINC000343424050 445219772 /nfs/dbraw/zinc/21/97/72/445219772.db2.gz CEEXTPOLPQZLPJ-KBAYOESNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH+]1C ZINC000343424050 445219774 /nfs/dbraw/zinc/21/97/74/445219774.db2.gz CEEXTPOLPQZLPJ-KBAYOESNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H]1[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH+]1C ZINC000343424050 445219776 /nfs/dbraw/zinc/21/97/76/445219776.db2.gz CEEXTPOLPQZLPJ-KBAYOESNSA-N 2 2 331.460 1.486 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCC(=O)N[C@H]3c3ccnn3C)n2c1 ZINC000343389336 445214084 /nfs/dbraw/zinc/21/40/84/445214084.db2.gz MLOSNSPGVOPQGE-KBXCAEBGSA-N 2 2 338.415 1.486 20 0 EDADLP CC[C@@H]1OCCC[C@H]1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346474745 445216232 /nfs/dbraw/zinc/21/62/32/445216232.db2.gz CZVDJUGHUZYKIU-JQHSSLGASA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@@H]1OCCC[C@H]1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346474745 445216234 /nfs/dbraw/zinc/21/62/34/445216234.db2.gz CZVDJUGHUZYKIU-JQHSSLGASA-N 2 2 337.508 1.819 20 0 EDADLP CC(C)N1CC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346910795 445227632 /nfs/dbraw/zinc/22/76/32/445227632.db2.gz CWIOHASPKZSCKR-NJAFHUGGSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346910795 445227634 /nfs/dbraw/zinc/22/76/34/445227634.db2.gz CWIOHASPKZSCKR-NJAFHUGGSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346910795 445227635 /nfs/dbraw/zinc/22/76/35/445227635.db2.gz CWIOHASPKZSCKR-NJAFHUGGSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)C1=O ZINC000346910795 445227637 /nfs/dbraw/zinc/22/76/37/445227637.db2.gz CWIOHASPKZSCKR-NJAFHUGGSA-N 2 2 347.507 1.744 20 0 EDADLP C[C@@H](CNC(=O)C1CC[NH+](CC(F)F)CC1)C[NH+]1CCOCC1 ZINC000343481109 445230958 /nfs/dbraw/zinc/23/09/58/445230958.db2.gz SQMIWCGBPZHHEY-ZDUSSCGKSA-N 2 2 333.423 1.048 20 0 EDADLP O=S1(=O)CC[C@H](C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000348307901 445251186 /nfs/dbraw/zinc/25/11/86/445251186.db2.gz RDYFFANFMYAYPL-SQNIBIBYSA-N 2 2 334.485 1.485 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC000343584490 445251306 /nfs/dbraw/zinc/25/13/06/445251306.db2.gz VZKFHGUVPFKDEB-SFHVURJKSA-N 2 2 333.476 1.825 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC000343584490 445251311 /nfs/dbraw/zinc/25/13/11/445251311.db2.gz VZKFHGUVPFKDEB-SFHVURJKSA-N 2 2 333.476 1.825 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCC[C@@H](C)C1 ZINC000343619836 445266238 /nfs/dbraw/zinc/26/62/38/445266238.db2.gz KOAVNDJBIFIGTD-SJORKVTESA-N 2 2 325.497 1.535 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCC[C@@H](C)C1 ZINC000343619836 445266241 /nfs/dbraw/zinc/26/62/41/445266241.db2.gz KOAVNDJBIFIGTD-SJORKVTESA-N 2 2 325.497 1.535 20 0 EDADLP C[NH+](C)Cc1cnc(CN(CC2CC2)C[C@H]2C[N@H+](C)CCO2)s1 ZINC000348175455 445304507 /nfs/dbraw/zinc/30/45/07/445304507.db2.gz TXHVVMBHRGBHBH-OAHLLOKOSA-N 2 2 338.521 1.747 20 0 EDADLP C[NH+](C)Cc1cnc(CN(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)s1 ZINC000348175455 445304513 /nfs/dbraw/zinc/30/45/13/445304513.db2.gz TXHVVMBHRGBHBH-OAHLLOKOSA-N 2 2 338.521 1.747 20 0 EDADLP CN1CCO[C@@H](C[N@@H+](Cc2ncc(C[NH+](C)C)s2)CC2CC2)C1 ZINC000348175455 445304516 /nfs/dbraw/zinc/30/45/16/445304516.db2.gz TXHVVMBHRGBHBH-OAHLLOKOSA-N 2 2 338.521 1.747 20 0 EDADLP CN1CCO[C@@H](C[N@H+](Cc2ncc(C[NH+](C)C)s2)CC2CC2)C1 ZINC000348175455 445304519 /nfs/dbraw/zinc/30/45/19/445304519.db2.gz TXHVVMBHRGBHBH-OAHLLOKOSA-N 2 2 338.521 1.747 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000354527118 445280492 /nfs/dbraw/zinc/28/04/92/445280492.db2.gz CPBXTEVVJCHZHV-FPSMNIFISA-N 2 2 327.513 1.261 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000354527118 445280496 /nfs/dbraw/zinc/28/04/96/445280496.db2.gz CPBXTEVVJCHZHV-FPSMNIFISA-N 2 2 327.513 1.261 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000354527118 445280499 /nfs/dbraw/zinc/28/04/99/445280499.db2.gz CPBXTEVVJCHZHV-FPSMNIFISA-N 2 2 327.513 1.261 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000354527118 445280503 /nfs/dbraw/zinc/28/05/03/445280503.db2.gz CPBXTEVVJCHZHV-FPSMNIFISA-N 2 2 327.513 1.261 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000354527118 445280508 /nfs/dbraw/zinc/28/05/08/445280508.db2.gz CPBXTEVVJCHZHV-FPSMNIFISA-N 2 2 327.513 1.261 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000354527118 445280510 /nfs/dbraw/zinc/28/05/10/445280510.db2.gz CPBXTEVVJCHZHV-FPSMNIFISA-N 2 2 327.513 1.261 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000343665744 445291786 /nfs/dbraw/zinc/29/17/86/445291786.db2.gz KNZKKQYBVVSUJQ-NCOADZHNSA-N 2 2 330.476 1.999 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000343665744 445291789 /nfs/dbraw/zinc/29/17/89/445291789.db2.gz KNZKKQYBVVSUJQ-NCOADZHNSA-N 2 2 330.476 1.999 20 0 EDADLP CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000354559815 445294548 /nfs/dbraw/zinc/29/45/48/445294548.db2.gz BWZJPIRDSKDKSS-UHFFFAOYSA-N 2 2 349.475 1.690 20 0 EDADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000354559815 445294554 /nfs/dbraw/zinc/29/45/54/445294554.db2.gz BWZJPIRDSKDKSS-UHFFFAOYSA-N 2 2 349.475 1.690 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351848643 445341784 /nfs/dbraw/zinc/34/17/84/445341784.db2.gz DPWPTJUTIMLPGX-UWVGGRQHSA-N 2 2 327.331 1.616 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351848643 445341786 /nfs/dbraw/zinc/34/17/86/445341786.db2.gz DPWPTJUTIMLPGX-UWVGGRQHSA-N 2 2 327.331 1.616 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000351862513 445346443 /nfs/dbraw/zinc/34/64/43/445346443.db2.gz PSYYKAXHCZUASS-UONOGXRCSA-N 2 2 345.422 1.927 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000351862513 445346445 /nfs/dbraw/zinc/34/64/45/445346445.db2.gz PSYYKAXHCZUASS-UONOGXRCSA-N 2 2 345.422 1.927 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864520 445347363 /nfs/dbraw/zinc/34/73/63/445347363.db2.gz YKJKFVQWEYWLNH-NVXWUHKLSA-N 3 2 346.475 1.126 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864520 445347364 /nfs/dbraw/zinc/34/73/64/445347364.db2.gz YKJKFVQWEYWLNH-NVXWUHKLSA-N 2 2 346.475 1.126 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000351864520 445347365 /nfs/dbraw/zinc/34/73/65/445347365.db2.gz YKJKFVQWEYWLNH-NVXWUHKLSA-N 2 2 346.475 1.126 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)CCn2c(C)[nH+]c3ccccc32)[N@H+](C)C1 ZINC000348706469 445349875 /nfs/dbraw/zinc/34/98/75/445349875.db2.gz UWAXOCHDMAQIFP-CVEARBPZSA-N 2 2 344.459 1.912 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)CCn2c(C)[nH+]c3ccccc32)[N@@H+](C)C1 ZINC000348706469 445349876 /nfs/dbraw/zinc/34/98/76/445349876.db2.gz UWAXOCHDMAQIFP-CVEARBPZSA-N 2 2 344.459 1.912 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@]2([NH+](C)C)CCCSC2)C[C@@H]1C ZINC000362406861 445364542 /nfs/dbraw/zinc/36/45/42/445364542.db2.gz COXPUQQNDABLIU-DOTOQJQBSA-N 2 2 343.537 1.383 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@]2([NH+](C)C)CCCSC2)C[C@@H]1C ZINC000362406861 445364544 /nfs/dbraw/zinc/36/45/44/445364544.db2.gz COXPUQQNDABLIU-DOTOQJQBSA-N 2 2 343.537 1.383 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000357083839 445416164 /nfs/dbraw/zinc/41/61/64/445416164.db2.gz QLBUYOGYBLMCDU-CABCVRRESA-N 2 2 330.432 1.493 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000357083839 445416170 /nfs/dbraw/zinc/41/61/70/445416170.db2.gz QLBUYOGYBLMCDU-CABCVRRESA-N 2 2 330.432 1.493 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357085993 445417848 /nfs/dbraw/zinc/41/78/48/445417848.db2.gz RAXLKURBIGNMLX-TZMCWYRMSA-N 2 2 337.851 1.506 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357085993 445417853 /nfs/dbraw/zinc/41/78/53/445417853.db2.gz RAXLKURBIGNMLX-TZMCWYRMSA-N 2 2 337.851 1.506 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccccc1 ZINC000348862482 445420296 /nfs/dbraw/zinc/42/02/96/445420296.db2.gz TXDQOTXOGGDTID-VQIMIIECSA-N 2 2 342.443 1.921 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccccc1 ZINC000348862482 445420298 /nfs/dbraw/zinc/42/02/98/445420298.db2.gz TXDQOTXOGGDTID-VQIMIIECSA-N 2 2 342.443 1.921 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357207375 445481879 /nfs/dbraw/zinc/48/18/79/445481879.db2.gz YQXNRKDDDXTEEW-MOPGFXCFSA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357207375 445481882 /nfs/dbraw/zinc/48/18/82/445481882.db2.gz YQXNRKDDDXTEEW-MOPGFXCFSA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357207375 445481884 /nfs/dbraw/zinc/48/18/84/445481884.db2.gz YQXNRKDDDXTEEW-MOPGFXCFSA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357207375 445481886 /nfs/dbraw/zinc/48/18/86/445481886.db2.gz YQXNRKDDDXTEEW-MOPGFXCFSA-N 2 2 345.487 1.481 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000348900038 445434000 /nfs/dbraw/zinc/43/40/00/445434000.db2.gz KOEQGKXFMCHHLS-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000348900038 445434005 /nfs/dbraw/zinc/43/40/05/445434005.db2.gz KOEQGKXFMCHHLS-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000348900038 445434011 /nfs/dbraw/zinc/43/40/11/445434011.db2.gz KOEQGKXFMCHHLS-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000348900038 445434015 /nfs/dbraw/zinc/43/40/15/445434015.db2.gz KOEQGKXFMCHHLS-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348983201 445464884 /nfs/dbraw/zinc/46/48/84/445464884.db2.gz YLMGMCCHWCGXEE-IXDOHACOSA-N 2 2 341.496 1.103 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348983201 445464885 /nfs/dbraw/zinc/46/48/85/445464885.db2.gz YLMGMCCHWCGXEE-IXDOHACOSA-N 2 2 341.496 1.103 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348983201 445464886 /nfs/dbraw/zinc/46/48/86/445464886.db2.gz YLMGMCCHWCGXEE-IXDOHACOSA-N 2 2 341.496 1.103 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000348983201 445464888 /nfs/dbraw/zinc/46/48/88/445464888.db2.gz YLMGMCCHWCGXEE-IXDOHACOSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@H](c1cccc(NC(=O)CCOC2C[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000348991470 445468197 /nfs/dbraw/zinc/46/81/97/445468197.db2.gz GYHBYBPUHMJTEM-CQSZACIVSA-N 2 2 333.432 1.397 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCOC1C[NH2+]C1 ZINC000348994620 445469288 /nfs/dbraw/zinc/46/92/88/445469288.db2.gz SPSJTSALMYUPIW-UHFFFAOYSA-N 2 2 346.475 1.525 20 0 EDADLP COC[C@]1(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC[NH2+]1 ZINC000357269919 445517385 /nfs/dbraw/zinc/51/73/85/445517385.db2.gz JQRMBIBXLSITJZ-GOSISDBHSA-N 2 2 328.416 1.430 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000355884682 445518795 /nfs/dbraw/zinc/51/87/95/445518795.db2.gz SXDBPXSOFDVMBZ-QGZVFWFLSA-N 2 2 334.464 1.623 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000355884682 445518798 /nfs/dbraw/zinc/51/87/98/445518798.db2.gz SXDBPXSOFDVMBZ-QGZVFWFLSA-N 2 2 334.464 1.623 20 0 EDADLP COC(=O)c1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1C ZINC000349064728 445493419 /nfs/dbraw/zinc/49/34/19/445493419.db2.gz VWNJAFVQXJUWOJ-UHFFFAOYSA-N 2 2 336.480 1.270 20 0 EDADLP COC(=O)c1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1C ZINC000349064728 445493423 /nfs/dbraw/zinc/49/34/23/445493423.db2.gz VWNJAFVQXJUWOJ-UHFFFAOYSA-N 2 2 336.480 1.270 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000357248252 445506107 /nfs/dbraw/zinc/50/61/07/445506107.db2.gz CRSAGKMZDYLHST-CABCVRRESA-N 2 2 349.479 1.000 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000357248252 445506109 /nfs/dbraw/zinc/50/61/09/445506109.db2.gz CRSAGKMZDYLHST-CABCVRRESA-N 2 2 349.479 1.000 20 0 EDADLP C[N@H+]([C@H](C(=O)NC1CC1)c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000357645253 445572518 /nfs/dbraw/zinc/57/25/18/445572518.db2.gz JHQFOZWLDXAPLH-SFHVURJKSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@@H+]([C@H](C(=O)NC1CC1)c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000357645253 445572523 /nfs/dbraw/zinc/57/25/23/445572523.db2.gz JHQFOZWLDXAPLH-SFHVURJKSA-N 2 2 331.460 1.395 20 0 EDADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000349405432 445579520 /nfs/dbraw/zinc/57/95/20/445579520.db2.gz IIVQZHHLQZPSMA-UHFFFAOYSA-N 3 2 348.539 1.782 20 0 EDADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000349405432 445579524 /nfs/dbraw/zinc/57/95/24/445579524.db2.gz IIVQZHHLQZPSMA-UHFFFAOYSA-N 3 2 348.539 1.782 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357306976 445539180 /nfs/dbraw/zinc/53/91/80/445539180.db2.gz WTGIILYCJFBXRK-QFBILLFUSA-N 2 2 345.487 1.931 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357306976 445539182 /nfs/dbraw/zinc/53/91/82/445539182.db2.gz WTGIILYCJFBXRK-QFBILLFUSA-N 2 2 345.487 1.931 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000353464510 445613889 /nfs/dbraw/zinc/61/38/89/445613889.db2.gz YESSRZVIRJIEHQ-NVXWUHKLSA-N 2 2 333.480 1.069 20 0 EDADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@](C)(O)C(=O)OC ZINC000353504919 445633526 /nfs/dbraw/zinc/63/35/26/445633526.db2.gz VGXYGYDZMNVRFR-SFHVURJKSA-N 2 2 335.448 1.544 20 0 EDADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@](C)(O)C(=O)OC ZINC000353504919 445633533 /nfs/dbraw/zinc/63/35/33/445633533.db2.gz VGXYGYDZMNVRFR-SFHVURJKSA-N 2 2 335.448 1.544 20 0 EDADLP C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000356051949 445591418 /nfs/dbraw/zinc/59/14/18/445591418.db2.gz BCMLBEIGFNSIFX-YOEHRIQHSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000356051949 445591421 /nfs/dbraw/zinc/59/14/21/445591421.db2.gz BCMLBEIGFNSIFX-YOEHRIQHSA-N 2 2 328.416 1.399 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000356147575 445647579 /nfs/dbraw/zinc/64/75/79/445647579.db2.gz SWPLGSLUZVYSII-ZBFHGGJFSA-N 2 2 337.489 1.674 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000356147575 445647585 /nfs/dbraw/zinc/64/75/85/445647585.db2.gz SWPLGSLUZVYSII-ZBFHGGJFSA-N 2 2 337.489 1.674 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000349721652 445655370 /nfs/dbraw/zinc/65/53/70/445655370.db2.gz INGKRCSHKOHHDU-DOMZBBRYSA-N 2 2 333.411 1.898 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000353584967 445667414 /nfs/dbraw/zinc/66/74/14/445667414.db2.gz NEADAXSSXALVEE-INIZCTEOSA-N 2 2 349.475 1.594 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000353584967 445667419 /nfs/dbraw/zinc/66/74/19/445667419.db2.gz NEADAXSSXALVEE-INIZCTEOSA-N 2 2 349.475 1.594 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353574305 445662646 /nfs/dbraw/zinc/66/26/46/445662646.db2.gz XBCQBLFDIBBMCJ-CRAIPNDOSA-N 2 2 344.463 1.056 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353574305 445662650 /nfs/dbraw/zinc/66/26/50/445662650.db2.gz XBCQBLFDIBBMCJ-CRAIPNDOSA-N 2 2 344.463 1.056 20 0 EDADLP COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000363054411 445663180 /nfs/dbraw/zinc/66/31/80/445663180.db2.gz SNGQTEUPSZGFAG-OAHLLOKOSA-N 2 2 331.460 1.902 20 0 EDADLP COc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000363054411 445663185 /nfs/dbraw/zinc/66/31/85/445663185.db2.gz SNGQTEUPSZGFAG-OAHLLOKOSA-N 2 2 331.460 1.902 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000363140193 445693831 /nfs/dbraw/zinc/69/38/31/445693831.db2.gz DEPDKEMFCHVELN-SJLPKXTDSA-N 2 2 331.460 1.692 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000363140193 445693833 /nfs/dbraw/zinc/69/38/33/445693833.db2.gz DEPDKEMFCHVELN-SJLPKXTDSA-N 2 2 331.460 1.692 20 0 EDADLP O=C(NCCNc1cc[nH+]cc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000356264505 445707728 /nfs/dbraw/zinc/70/77/28/445707728.db2.gz IRAQAOGIJFMWPX-UHFFFAOYSA-N 2 2 342.325 1.174 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NCCNc2cc[nH+]cc2)c[nH+]1 ZINC000356270745 445710657 /nfs/dbraw/zinc/71/06/57/445710657.db2.gz FQIGLDSFWHBRJQ-UHFFFAOYSA-N 2 2 342.447 1.656 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)[N@H+]1C ZINC000358678453 445711769 /nfs/dbraw/zinc/71/17/69/445711769.db2.gz DUNGSHJYDQMJHQ-IYBDPMFKSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@H](C)[N@@H+]1C ZINC000358678453 445711773 /nfs/dbraw/zinc/71/17/73/445711773.db2.gz DUNGSHJYDQMJHQ-IYBDPMFKSA-N 2 2 331.460 1.683 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000353703177 445716447 /nfs/dbraw/zinc/71/64/47/445716447.db2.gz ARWPFDDCBANYNE-NJAFHUGGSA-N 2 2 335.492 1.430 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000363339099 445771855 /nfs/dbraw/zinc/77/18/55/445771855.db2.gz QRBRWBAZXJOVPL-QGZVFWFLSA-N 2 2 343.471 1.934 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000363339099 445771859 /nfs/dbraw/zinc/77/18/59/445771859.db2.gz QRBRWBAZXJOVPL-QGZVFWFLSA-N 2 2 343.471 1.934 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCC1 ZINC000356291297 445721639 /nfs/dbraw/zinc/72/16/39/445721639.db2.gz HHGLKWQPYNJNSV-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCC1 ZINC000356291297 445721641 /nfs/dbraw/zinc/72/16/41/445721641.db2.gz HHGLKWQPYNJNSV-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000361467882 445773359 /nfs/dbraw/zinc/77/33/59/445773359.db2.gz YGWAVWZEUOVZFT-INIZCTEOSA-N 3 2 325.497 1.726 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000363266772 445747079 /nfs/dbraw/zinc/74/70/79/445747079.db2.gz WCJSVXTUKWZKLH-QLFBSQMISA-N 2 2 334.464 1.450 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000363266772 445747083 /nfs/dbraw/zinc/74/70/83/445747083.db2.gz WCJSVXTUKWZKLH-QLFBSQMISA-N 2 2 334.464 1.450 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)[C@@H]1C ZINC000353940508 445819451 /nfs/dbraw/zinc/81/94/51/445819451.db2.gz BUAVJBUFUQROAN-QZWWFDLISA-N 2 2 326.481 1.911 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)[C@@H]1C ZINC000353940508 445819456 /nfs/dbraw/zinc/81/94/56/445819456.db2.gz BUAVJBUFUQROAN-QZWWFDLISA-N 2 2 326.481 1.911 20 0 EDADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353946597 445822397 /nfs/dbraw/zinc/82/23/97/445822397.db2.gz IFAWPQJVLZGLAE-VGUREELVSA-N 2 2 337.508 1.865 20 0 EDADLP COCC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353946597 445822400 /nfs/dbraw/zinc/82/24/00/445822400.db2.gz IFAWPQJVLZGLAE-VGUREELVSA-N 2 2 337.508 1.865 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000363494805 445831495 /nfs/dbraw/zinc/83/14/95/445831495.db2.gz FBWYBIAWJIDNBC-GOSISDBHSA-N 2 2 333.476 1.534 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000363494805 445831498 /nfs/dbraw/zinc/83/14/98/445831498.db2.gz FBWYBIAWJIDNBC-GOSISDBHSA-N 2 2 333.476 1.534 20 0 EDADLP CCN(C[C@H](C)O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353838577 445778718 /nfs/dbraw/zinc/77/87/18/445778718.db2.gz WJXJRUXXUQPBOB-INIZCTEOSA-N 2 2 340.512 1.349 20 0 EDADLP C[C@H](NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1)C(C)(C)C[NH+](C)C ZINC000358815929 445789813 /nfs/dbraw/zinc/78/98/13/445789813.db2.gz ADXPQEVYTOWWRK-AWEZNQCLSA-N 2 2 349.479 1.139 20 0 EDADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000361501644 445791099 /nfs/dbraw/zinc/79/10/99/445791099.db2.gz SFLMAYLYCNWJMB-WMZOPIPTSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000361501644 445791103 /nfs/dbraw/zinc/79/11/03/445791103.db2.gz SFLMAYLYCNWJMB-WMZOPIPTSA-N 2 2 335.492 1.574 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000361509455 445794774 /nfs/dbraw/zinc/79/47/74/445794774.db2.gz VBOJJJAEVLYHNW-RCCFBDPRSA-N 2 2 331.508 1.522 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000361509455 445794778 /nfs/dbraw/zinc/79/47/78/445794778.db2.gz VBOJJJAEVLYHNW-RCCFBDPRSA-N 2 2 331.508 1.522 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519229 445800147 /nfs/dbraw/zinc/80/01/47/445800147.db2.gz NBKYYQDBWZBQMH-OAHLLOKOSA-N 2 2 334.464 1.907 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000358999201 445880750 /nfs/dbraw/zinc/88/07/50/445880750.db2.gz UJTGEWVVAFYOSO-LSDHHAIUSA-N 2 2 333.436 1.527 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000358999201 445880752 /nfs/dbraw/zinc/88/07/52/445880752.db2.gz UJTGEWVVAFYOSO-LSDHHAIUSA-N 2 2 333.436 1.527 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000358999201 445880756 /nfs/dbraw/zinc/88/07/56/445880756.db2.gz UJTGEWVVAFYOSO-LSDHHAIUSA-N 2 2 333.436 1.527 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000358999201 445880758 /nfs/dbraw/zinc/88/07/58/445880758.db2.gz UJTGEWVVAFYOSO-LSDHHAIUSA-N 2 2 333.436 1.527 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358961491 445866499 /nfs/dbraw/zinc/86/64/99/445866499.db2.gz VHLSPCIYYSFZFH-INIZCTEOSA-N 3 2 341.544 1.432 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358961491 445866503 /nfs/dbraw/zinc/86/65/03/445866503.db2.gz VHLSPCIYYSFZFH-INIZCTEOSA-N 3 2 341.544 1.432 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CCN1C ZINC000356578208 445868952 /nfs/dbraw/zinc/86/89/52/445868952.db2.gz NZFFLSXRKZPJBJ-HOTGVXAUSA-N 2 2 333.480 1.500 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CCN1C ZINC000356578208 445868958 /nfs/dbraw/zinc/86/89/58/445868958.db2.gz NZFFLSXRKZPJBJ-HOTGVXAUSA-N 2 2 333.480 1.500 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000361717963 445895913 /nfs/dbraw/zinc/89/59/13/445895913.db2.gz KMLBDBRQLYHDJS-IKGGRYGDSA-N 2 2 335.492 1.668 20 0 EDADLP CO[C@]1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOC1 ZINC000359097332 445942602 /nfs/dbraw/zinc/94/26/02/445942602.db2.gz BASQZNUEVHBUBX-INIZCTEOSA-N 2 2 326.360 1.428 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000364326924 445910861 /nfs/dbraw/zinc/91/08/61/445910861.db2.gz PXFLLKMADHHFNM-KBPBESRZSA-N 2 2 326.238 1.880 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000369073191 445911286 /nfs/dbraw/zinc/91/12/86/445911286.db2.gz BNFBOQOSGVZBET-QGZVFWFLSA-N 2 2 338.496 1.415 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000369073191 445911294 /nfs/dbraw/zinc/91/12/94/445911294.db2.gz BNFBOQOSGVZBET-QGZVFWFLSA-N 2 2 338.496 1.415 20 0 EDADLP CC1CC[NH+](CC2CC[NH+](Cc3nnc4n3CCOC4)CC2)CC1 ZINC000369079255 445915451 /nfs/dbraw/zinc/91/54/51/445915451.db2.gz SKRZFTJDVOONLC-UHFFFAOYSA-N 2 2 333.480 1.752 20 0 EDADLP C[C@H](c1nc(-c2cccnc2)no1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000354145199 445943207 /nfs/dbraw/zinc/94/32/07/445943207.db2.gz ZIHWUQYMZYCLTH-CYBMUJFWSA-N 2 2 331.420 1.581 20 0 EDADLP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000354145199 445943216 /nfs/dbraw/zinc/94/32/16/445943216.db2.gz ZIHWUQYMZYCLTH-CYBMUJFWSA-N 2 2 331.420 1.581 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000582497533 325860246 /nfs/dbraw/zinc/86/02/46/325860246.db2.gz ZFOPFVWNCFLMJS-LJQANCHMSA-N 2 2 345.487 1.728 20 0 EDADLP C[C@H](CNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)C[NH+]1CCOCC1 ZINC000369246676 446020001 /nfs/dbraw/zinc/02/00/01/446020001.db2.gz YPTUKSSZYQDLCY-CVEARBPZSA-N 2 2 349.479 1.055 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000366124662 446028516 /nfs/dbraw/zinc/02/85/16/446028516.db2.gz FHJHZKBZOLYYKX-MRXNPFEDSA-N 2 2 327.432 1.884 20 0 EDADLP O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1C1CC[NH+](C2CCCCC2)CC1 ZINC000359187181 446011604 /nfs/dbraw/zinc/01/16/04/446011604.db2.gz ITIDAENABSWFNU-MRXNPFEDSA-N 2 2 345.447 1.670 20 0 EDADLP O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1C1CC[NH+](C2CCCCC2)CC1 ZINC000359187181 446011609 /nfs/dbraw/zinc/01/16/09/446011609.db2.gz ITIDAENABSWFNU-MRXNPFEDSA-N 2 2 345.447 1.670 20 0 EDADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC000356782004 446013602 /nfs/dbraw/zinc/01/36/02/446013602.db2.gz KBBDSZABIOWCKT-IAGOWNOFSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC000356782004 446013605 /nfs/dbraw/zinc/01/36/05/446013605.db2.gz KBBDSZABIOWCKT-IAGOWNOFSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCO1 ZINC000583211656 326027961 /nfs/dbraw/zinc/02/79/61/326027961.db2.gz CQFGUIWEKBLOMQ-BBRMVZONSA-N 2 2 339.867 1.780 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCO1 ZINC000583211656 326027964 /nfs/dbraw/zinc/02/79/64/326027964.db2.gz CQFGUIWEKBLOMQ-BBRMVZONSA-N 2 2 339.867 1.780 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000583867044 326155169 /nfs/dbraw/zinc/15/51/69/326155169.db2.gz QBYZPXFUFKCFRH-JKSUJKDBSA-N 2 2 342.867 1.780 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000583867044 326155170 /nfs/dbraw/zinc/15/51/70/326155170.db2.gz QBYZPXFUFKCFRH-JKSUJKDBSA-N 2 2 342.867 1.780 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583881362 326160079 /nfs/dbraw/zinc/16/00/79/326160079.db2.gz ZOQMOXLBDVSRSN-XJKSGUPXSA-N 2 2 339.867 1.780 20 0 EDADLP Cn1nnc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc21 ZINC000583944951 326171298 /nfs/dbraw/zinc/17/12/98/326171298.db2.gz BOCJHIVYJCRQKP-INIZCTEOSA-N 2 2 329.448 1.655 20 0 EDADLP Cn1nnc2cc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc21 ZINC000583944951 326171301 /nfs/dbraw/zinc/17/13/01/326171301.db2.gz BOCJHIVYJCRQKP-INIZCTEOSA-N 2 2 329.448 1.655 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)CCOC3C[NH2+]C3)ccc2n1C1CC1 ZINC000583993121 326179883 /nfs/dbraw/zinc/17/98/83/326179883.db2.gz YSOPQPMMWUPFPD-UHFFFAOYSA-N 2 2 328.416 1.674 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584102186 326199204 /nfs/dbraw/zinc/19/92/04/326199204.db2.gz BLABYWABEIYUAT-MSOLQXFVSA-N 2 2 346.475 1.186 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584102186 326199207 /nfs/dbraw/zinc/19/92/07/326199207.db2.gz BLABYWABEIYUAT-MSOLQXFVSA-N 2 2 346.475 1.186 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000351472894 446073771 /nfs/dbraw/zinc/07/37/71/446073771.db2.gz BSXQTXJDNOBDPQ-LEWSCRJBSA-N 2 2 325.359 1.896 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000351472894 446073777 /nfs/dbraw/zinc/07/37/77/446073777.db2.gz BSXQTXJDNOBDPQ-LEWSCRJBSA-N 2 2 325.359 1.896 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](O)C[NH+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000351474850 446075772 /nfs/dbraw/zinc/07/57/72/446075772.db2.gz HNNTXNOTOYNGOV-FCEWJHQRSA-N 3 2 339.524 1.263 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](O)C[NH+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000351474850 446075782 /nfs/dbraw/zinc/07/57/82/446075782.db2.gz HNNTXNOTOYNGOV-FCEWJHQRSA-N 3 2 339.524 1.263 20 0 EDADLP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000351474850 446075790 /nfs/dbraw/zinc/07/57/90/446075790.db2.gz HNNTXNOTOYNGOV-FCEWJHQRSA-N 3 2 339.524 1.263 20 0 EDADLP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000351474850 446075796 /nfs/dbraw/zinc/07/57/96/446075796.db2.gz HNNTXNOTOYNGOV-FCEWJHQRSA-N 3 2 339.524 1.263 20 0 EDADLP C[C@H]1CSCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000365202933 446077801 /nfs/dbraw/zinc/07/78/01/446077801.db2.gz MJLBZZWJPQRAMQ-CABCVRRESA-N 2 2 340.537 1.549 20 0 EDADLP C[C@H]1CSCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000365202933 446077807 /nfs/dbraw/zinc/07/78/07/446077807.db2.gz MJLBZZWJPQRAMQ-CABCVRRESA-N 2 2 340.537 1.549 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000356864940 446080214 /nfs/dbraw/zinc/08/02/14/446080214.db2.gz WYUJLXSZXRQFJK-ZIFCJYIRSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000356864940 446080216 /nfs/dbraw/zinc/08/02/16/446080216.db2.gz WYUJLXSZXRQFJK-ZIFCJYIRSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1C[N@@H+]([C@@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CCO1 ZINC000354353978 446137428 /nfs/dbraw/zinc/13/74/28/446137428.db2.gz OANBYRAQGURCRO-KGLIPLIRSA-N 2 2 347.488 2.478 20 0 EDADLP C[C@@H]1C[N@H+]([C@@H](CNc2cc[nH+]c(N(C)C)n2)c2cccs2)CCO1 ZINC000354353978 446137432 /nfs/dbraw/zinc/13/74/32/446137432.db2.gz OANBYRAQGURCRO-KGLIPLIRSA-N 2 2 347.488 2.478 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000366302679 446138474 /nfs/dbraw/zinc/13/84/74/446138474.db2.gz DRYVHOUGZPVHKS-SFHVURJKSA-N 2 2 337.508 1.961 20 0 EDADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000366302679 446138480 /nfs/dbraw/zinc/13/84/80/446138480.db2.gz DRYVHOUGZPVHKS-SFHVURJKSA-N 2 2 337.508 1.961 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359309190 446140377 /nfs/dbraw/zinc/14/03/77/446140377.db2.gz POKANPQNKMNWFE-IRXDYDNUSA-N 2 2 331.460 1.456 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369362428 446104333 /nfs/dbraw/zinc/10/43/33/446104333.db2.gz FPFZLLLSIADHFH-UKRRQHHQSA-N 2 2 348.495 1.257 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369362428 446104335 /nfs/dbraw/zinc/10/43/35/446104335.db2.gz FPFZLLLSIADHFH-UKRRQHHQSA-N 2 2 348.495 1.257 20 0 EDADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359282050 446117131 /nfs/dbraw/zinc/11/71/31/446117131.db2.gz SHLLMQPJKBDNQL-ATZDWAIDSA-N 2 2 327.472 1.965 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)C(C)C ZINC000351516207 446119926 /nfs/dbraw/zinc/11/99/26/446119926.db2.gz WWNWVQHRGCWXAY-ZBFHGGJFSA-N 2 2 327.469 1.106 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C(C)C ZINC000351516207 446119935 /nfs/dbraw/zinc/11/99/35/446119935.db2.gz WWNWVQHRGCWXAY-ZBFHGGJFSA-N 2 2 327.469 1.106 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC000351516207 446119941 /nfs/dbraw/zinc/11/99/41/446119941.db2.gz WWNWVQHRGCWXAY-ZBFHGGJFSA-N 2 2 327.469 1.106 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000351516207 446119948 /nfs/dbraw/zinc/11/99/48/446119948.db2.gz WWNWVQHRGCWXAY-ZBFHGGJFSA-N 2 2 327.469 1.106 20 0 EDADLP Cn1c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)cc2sc1=O ZINC000366276995 446122638 /nfs/dbraw/zinc/12/26/38/446122638.db2.gz FRWQUVJPOMJILL-HUUCEWRRSA-N 2 2 347.484 1.943 20 0 EDADLP Cn1c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCCC[C@@H]4CO3)cc2sc1=O ZINC000366276995 446122641 /nfs/dbraw/zinc/12/26/41/446122641.db2.gz FRWQUVJPOMJILL-HUUCEWRRSA-N 2 2 347.484 1.943 20 0 EDADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCc2cc(OC)c(OC)cc2C1 ZINC000359290058 446125060 /nfs/dbraw/zinc/12/50/60/446125060.db2.gz PEHNSBOKYGATRL-UHFFFAOYSA-N 2 2 349.475 1.520 20 0 EDADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCc2cc(OC)c(OC)cc2C1 ZINC000359290058 446125069 /nfs/dbraw/zinc/12/50/69/446125069.db2.gz PEHNSBOKYGATRL-UHFFFAOYSA-N 2 2 349.475 1.520 20 0 EDADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000359290058 446125075 /nfs/dbraw/zinc/12/50/75/446125075.db2.gz PEHNSBOKYGATRL-UHFFFAOYSA-N 2 2 349.475 1.520 20 0 EDADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000359290058 446125083 /nfs/dbraw/zinc/12/50/83/446125083.db2.gz PEHNSBOKYGATRL-UHFFFAOYSA-N 2 2 349.475 1.520 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354345745 446129442 /nfs/dbraw/zinc/12/94/42/446129442.db2.gz DIPKNOZQNVIJFH-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354345745 446129451 /nfs/dbraw/zinc/12/94/51/446129451.db2.gz DIPKNOZQNVIJFH-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000354345745 446129456 /nfs/dbraw/zinc/12/94/56/446129456.db2.gz DIPKNOZQNVIJFH-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000354345745 446129465 /nfs/dbraw/zinc/12/94/65/446129465.db2.gz DIPKNOZQNVIJFH-MSOLQXFVSA-N 2 2 337.508 1.724 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC)C1 ZINC000354378573 446161581 /nfs/dbraw/zinc/16/15/81/446161581.db2.gz CHJXXGQIWYXMBZ-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC)C1 ZINC000354378573 446161584 /nfs/dbraw/zinc/16/15/84/446161584.db2.gz CHJXXGQIWYXMBZ-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000354378573 446161587 /nfs/dbraw/zinc/16/15/87/446161587.db2.gz CHJXXGQIWYXMBZ-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000354378573 446161590 /nfs/dbraw/zinc/16/15/90/446161590.db2.gz CHJXXGQIWYXMBZ-IRXDYDNUSA-N 2 2 325.497 1.678 20 0 EDADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000369934260 446169617 /nfs/dbraw/zinc/16/96/17/446169617.db2.gz HNERTVCYCNNXKT-QGZVFWFLSA-N 2 2 331.460 1.176 20 0 EDADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000369934260 446169619 /nfs/dbraw/zinc/16/96/19/446169619.db2.gz HNERTVCYCNNXKT-QGZVFWFLSA-N 2 2 331.460 1.176 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000370104642 446183384 /nfs/dbraw/zinc/18/33/84/446183384.db2.gz WVNWXGIVZFJACE-UHFFFAOYSA-N 2 2 345.451 1.900 20 0 EDADLP CCCCc1[nH]c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2[nH+]1 ZINC000351555096 446153401 /nfs/dbraw/zinc/15/34/01/446153401.db2.gz KHUCSVAVXPNYAQ-AWEZNQCLSA-N 2 2 343.431 1.712 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000362085579 446202666 /nfs/dbraw/zinc/20/26/66/446202666.db2.gz GRSLGIVPQWDZTF-INIZCTEOSA-N 2 2 327.432 1.965 20 0 EDADLP CO[C@@H]1CCC[C@H](CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373511071 446244204 /nfs/dbraw/zinc/24/42/04/446244204.db2.gz WFNYWAAFYWHTHO-XYJFISCASA-N 2 2 337.508 1.866 20 0 EDADLP CO[C@@H]1CCC[C@H](CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000373511071 446244207 /nfs/dbraw/zinc/24/42/07/446244207.db2.gz WFNYWAAFYWHTHO-XYJFISCASA-N 2 2 337.508 1.866 20 0 EDADLP CCC[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)[NH+](C)C ZINC000351610795 446205949 /nfs/dbraw/zinc/20/59/49/446205949.db2.gz XWPVVHAEVZKHTA-SOUVJXGZSA-N 2 2 339.459 1.179 20 0 EDADLP Cc1cc(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)n2ncnc2n1 ZINC000351614045 446208003 /nfs/dbraw/zinc/20/80/03/446208003.db2.gz CXYOQMIPWPDIMS-MRXNPFEDSA-N 2 2 343.479 1.429 20 0 EDADLP Cc1cc(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)n2ncnc2n1 ZINC000351614045 446208010 /nfs/dbraw/zinc/20/80/10/446208010.db2.gz CXYOQMIPWPDIMS-MRXNPFEDSA-N 2 2 343.479 1.429 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C2 ZINC000365454700 446215230 /nfs/dbraw/zinc/21/52/30/446215230.db2.gz LSUJTCHRPKDYDF-OCCSQVGLSA-N 2 2 335.452 1.134 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCOCC1 ZINC000370305996 446224124 /nfs/dbraw/zinc/22/41/24/446224124.db2.gz RALSERQMEKBXAC-MRXNPFEDSA-N 2 2 346.475 1.648 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCOCC1 ZINC000370305996 446224130 /nfs/dbraw/zinc/22/41/30/446224130.db2.gz RALSERQMEKBXAC-MRXNPFEDSA-N 2 2 346.475 1.648 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C2 ZINC000365499581 446232764 /nfs/dbraw/zinc/23/27/64/446232764.db2.gz ZNDXYNONMACANB-CQSZACIVSA-N 2 2 349.479 1.526 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C2 ZINC000365499581 446232771 /nfs/dbraw/zinc/23/27/71/446232771.db2.gz ZNDXYNONMACANB-CQSZACIVSA-N 2 2 349.479 1.526 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366498542 446239053 /nfs/dbraw/zinc/23/90/53/446239053.db2.gz UFAHUJWOVGHCOY-LJQANCHMSA-N 2 2 331.460 1.382 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366498542 446239057 /nfs/dbraw/zinc/23/90/57/446239057.db2.gz UFAHUJWOVGHCOY-LJQANCHMSA-N 2 2 331.460 1.382 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366498542 446239061 /nfs/dbraw/zinc/23/90/61/446239061.db2.gz UFAHUJWOVGHCOY-LJQANCHMSA-N 2 2 331.460 1.382 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366498542 446239067 /nfs/dbraw/zinc/23/90/67/446239067.db2.gz UFAHUJWOVGHCOY-LJQANCHMSA-N 2 2 331.460 1.382 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@H](C)O1 ZINC000365539085 446246481 /nfs/dbraw/zinc/24/64/81/446246481.db2.gz PFUBWAFJSDYNNH-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[C@H](C)O1 ZINC000365539085 446246486 /nfs/dbraw/zinc/24/64/86/446246486.db2.gz PFUBWAFJSDYNNH-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000365539085 446246490 /nfs/dbraw/zinc/24/64/90/446246490.db2.gz PFUBWAFJSDYNNH-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@H](C)O1 ZINC000365539085 446246494 /nfs/dbraw/zinc/24/64/94/446246494.db2.gz PFUBWAFJSDYNNH-SCTDSRPQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000373572122 446265762 /nfs/dbraw/zinc/26/57/62/446265762.db2.gz IQRDOVUVJCCFKQ-KBPBESRZSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000373572122 446265767 /nfs/dbraw/zinc/26/57/67/446265767.db2.gz IQRDOVUVJCCFKQ-KBPBESRZSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000373572122 446265772 /nfs/dbraw/zinc/26/57/72/446265772.db2.gz IQRDOVUVJCCFKQ-KBPBESRZSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000373572122 446265777 /nfs/dbraw/zinc/26/57/77/446265777.db2.gz IQRDOVUVJCCFKQ-KBPBESRZSA-N 2 2 337.489 1.020 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000365601043 446268751 /nfs/dbraw/zinc/26/87/51/446268751.db2.gz VDYHZFUSZUAOSI-HZPDHXFCSA-N 2 2 336.480 1.119 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000365601043 446268757 /nfs/dbraw/zinc/26/87/57/446268757.db2.gz VDYHZFUSZUAOSI-HZPDHXFCSA-N 2 2 336.480 1.119 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000366589856 446271366 /nfs/dbraw/zinc/27/13/66/446271366.db2.gz GSCDCHQXUHUMLY-CHWSQXEVSA-N 2 2 335.370 1.614 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000366589856 446271367 /nfs/dbraw/zinc/27/13/67/446271367.db2.gz GSCDCHQXUHUMLY-CHWSQXEVSA-N 2 2 335.370 1.614 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000366618929 446283439 /nfs/dbraw/zinc/28/34/39/446283439.db2.gz COGQAPREAHCMOO-JKSUJKDBSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1ccc(N2CCC[C@@H](C(=O)NCC[NH+]3CCOCC3)C2)[nH+]c1 ZINC000370510189 446313304 /nfs/dbraw/zinc/31/33/04/446313304.db2.gz WCZUUJNAVJYVJE-MRXNPFEDSA-N 2 2 332.448 1.055 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417665509 446368524 /nfs/dbraw/zinc/36/85/24/446368524.db2.gz YVMAJEJQGZLBAS-KCPJHIHWSA-N 2 2 340.418 1.865 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000370716313 446400101 /nfs/dbraw/zinc/40/01/01/446400101.db2.gz LCNKIJLGHSJAAU-ZWKOTPCHSA-N 2 2 345.487 1.734 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000370716313 446400102 /nfs/dbraw/zinc/40/01/02/446400102.db2.gz LCNKIJLGHSJAAU-ZWKOTPCHSA-N 2 2 345.487 1.734 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000370716313 446400104 /nfs/dbraw/zinc/40/01/04/446400104.db2.gz LCNKIJLGHSJAAU-ZWKOTPCHSA-N 2 2 345.487 1.734 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000370716313 446400105 /nfs/dbraw/zinc/40/01/05/446400105.db2.gz LCNKIJLGHSJAAU-ZWKOTPCHSA-N 2 2 345.487 1.734 20 0 EDADLP CN(C(=O)NCc1ccn(C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376324432 446428494 /nfs/dbraw/zinc/42/84/94/446428494.db2.gz YMYUTDPOLKECGK-KRWDZBQOSA-N 2 2 333.480 1.335 20 0 EDADLP CN(C(=O)NCc1ccn(C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376324432 446428498 /nfs/dbraw/zinc/42/84/98/446428498.db2.gz YMYUTDPOLKECGK-KRWDZBQOSA-N 2 2 333.480 1.335 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NC[C@@H]2C[NH2+]CCCO2)[nH+]cn1 ZINC000420262677 446438387 /nfs/dbraw/zinc/43/83/87/446438387.db2.gz BAYXFMLJQJFMBM-DAYGRLMNSA-N 2 2 349.479 1.883 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NC[C@@H]2C[NH2+]CCCO2)nc[nH+]1 ZINC000420262677 446438396 /nfs/dbraw/zinc/43/83/96/446438396.db2.gz BAYXFMLJQJFMBM-DAYGRLMNSA-N 2 2 349.479 1.883 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420277448 446446846 /nfs/dbraw/zinc/44/68/46/446446846.db2.gz UAUNOFMYIRXOLQ-GDBMZVCRSA-N 2 2 347.459 1.409 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420277448 446446848 /nfs/dbraw/zinc/44/68/48/446446848.db2.gz UAUNOFMYIRXOLQ-GDBMZVCRSA-N 2 2 347.459 1.409 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000370731348 446407463 /nfs/dbraw/zinc/40/74/63/446407463.db2.gz WALAHSLRHCQQQO-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000370731348 446407464 /nfs/dbraw/zinc/40/74/64/446407464.db2.gz WALAHSLRHCQQQO-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000370731348 446407465 /nfs/dbraw/zinc/40/74/65/446407465.db2.gz WALAHSLRHCQQQO-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000370731348 446407466 /nfs/dbraw/zinc/40/74/66/446407466.db2.gz WALAHSLRHCQQQO-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000417984213 446407625 /nfs/dbraw/zinc/40/76/25/446407625.db2.gz CXRBXTFZPGNHJF-XXLQHYSLSA-N 2 2 344.381 1.886 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000417984213 446407630 /nfs/dbraw/zinc/40/76/30/446407630.db2.gz CXRBXTFZPGNHJF-XXLQHYSLSA-N 2 2 344.381 1.886 20 0 EDADLP COCC[C@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[NH2+]C1 ZINC000370764427 446423011 /nfs/dbraw/zinc/42/30/11/446423011.db2.gz ZRNBBYAVFOZSKN-LJQANCHMSA-N 2 2 346.475 1.704 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)C1 ZINC000374868182 446425066 /nfs/dbraw/zinc/42/50/66/446425066.db2.gz JDFQFLIEKBFXPB-HZPDHXFCSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)C1 ZINC000374868182 446425071 /nfs/dbraw/zinc/42/50/71/446425071.db2.gz JDFQFLIEKBFXPB-HZPDHXFCSA-N 2 2 337.851 1.534 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420314375 446480722 /nfs/dbraw/zinc/48/07/22/446480722.db2.gz QQPLKBYBSLAWMD-CQSZACIVSA-N 2 2 333.432 1.510 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420314375 446480723 /nfs/dbraw/zinc/48/07/23/446480723.db2.gz QQPLKBYBSLAWMD-CQSZACIVSA-N 2 2 333.432 1.510 20 0 EDADLP CCCN(CC[NH+](CC)CC)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000432178762 446455376 /nfs/dbraw/zinc/45/53/76/446455376.db2.gz NOJFOCVDBBWARR-MRXNPFEDSA-N 2 2 335.496 1.996 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000370815244 446457327 /nfs/dbraw/zinc/45/73/27/446457327.db2.gz VNYCYQGUSALTIK-ZDUSSCGKSA-N 2 2 333.436 1.216 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000370815244 446457333 /nfs/dbraw/zinc/45/73/33/446457333.db2.gz VNYCYQGUSALTIK-ZDUSSCGKSA-N 2 2 333.436 1.216 20 0 EDADLP CCOC(=O)Cc1csc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])n1 ZINC000420293742 446458052 /nfs/dbraw/zinc/45/80/52/446458052.db2.gz RTHLWAMAULWSNN-UHFFFAOYSA-N 2 2 342.465 1.104 20 0 EDADLP CCOC(=O)Cc1csc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])n1 ZINC000420293742 446458058 /nfs/dbraw/zinc/45/80/58/446458058.db2.gz RTHLWAMAULWSNN-UHFFFAOYSA-N 2 2 342.465 1.104 20 0 EDADLP Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370820150 446458618 /nfs/dbraw/zinc/45/86/18/446458618.db2.gz NUWONLWIMIDULX-QGZVFWFLSA-N 2 2 348.491 1.851 20 0 EDADLP Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370820150 446458625 /nfs/dbraw/zinc/45/86/25/446458625.db2.gz NUWONLWIMIDULX-QGZVFWFLSA-N 2 2 348.491 1.851 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCCc1cccc2cccnc21)C1CC1 ZINC000420297751 446459659 /nfs/dbraw/zinc/45/96/59/446459659.db2.gz DKHDOCVWKINMCT-LJQANCHMSA-N 2 2 326.444 1.611 20 0 EDADLP CN(C(=O)c1ccc(C(N)=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829436 446463640 /nfs/dbraw/zinc/46/36/40/446463640.db2.gz GLMOKTWUVBKQBC-KRWDZBQOSA-N 2 2 344.459 1.026 20 0 EDADLP CN(C(=O)c1ccc(C(N)=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829436 446463646 /nfs/dbraw/zinc/46/36/46/446463646.db2.gz GLMOKTWUVBKQBC-KRWDZBQOSA-N 2 2 344.459 1.026 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000420303458 446466611 /nfs/dbraw/zinc/46/66/11/446466611.db2.gz KJKCYGVMBHUTAO-UFYCRDLUSA-N 2 2 326.440 1.991 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000420303458 446466617 /nfs/dbraw/zinc/46/66/17/446466617.db2.gz KJKCYGVMBHUTAO-UFYCRDLUSA-N 2 2 326.440 1.991 20 0 EDADLP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367027543 446472291 /nfs/dbraw/zinc/47/22/91/446472291.db2.gz FYRHXJIJMBWXQB-MJGOQNOKSA-N 2 2 344.503 1.891 20 0 EDADLP Cc1ccccc1NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367027543 446472295 /nfs/dbraw/zinc/47/22/95/446472295.db2.gz FYRHXJIJMBWXQB-MJGOQNOKSA-N 2 2 344.503 1.891 20 0 EDADLP CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000420310526 446473359 /nfs/dbraw/zinc/47/33/59/446473359.db2.gz VCZUHYYISQPTBU-XIRDDKMYSA-N 2 2 342.505 1.062 20 0 EDADLP CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C)CS(=O)(=O)CC ZINC000420310526 446473366 /nfs/dbraw/zinc/47/33/66/446473366.db2.gz VCZUHYYISQPTBU-XIRDDKMYSA-N 2 2 342.505 1.062 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000420311864 446475437 /nfs/dbraw/zinc/47/54/37/446475437.db2.gz IBUACZPCYTYWEU-HZPDHXFCSA-N 2 2 345.443 1.124 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000420311864 446475443 /nfs/dbraw/zinc/47/54/43/446475443.db2.gz IBUACZPCYTYWEU-HZPDHXFCSA-N 2 2 345.443 1.124 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000367058251 446494279 /nfs/dbraw/zinc/49/42/79/446494279.db2.gz RKEOCYZDFOMSSN-INIZCTEOSA-N 2 2 340.427 1.877 20 0 EDADLP C[C@H]([C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000423368969 446504663 /nfs/dbraw/zinc/50/46/63/446504663.db2.gz BMITUCADOXXTOK-ZMSDIMECSA-N 2 2 333.476 1.938 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418338913 446507166 /nfs/dbraw/zinc/50/71/66/446507166.db2.gz DPKKUFIHZWJBOA-INIZCTEOSA-N 3 2 339.528 1.044 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418338913 446507177 /nfs/dbraw/zinc/50/71/77/446507177.db2.gz DPKKUFIHZWJBOA-INIZCTEOSA-N 3 2 339.528 1.044 20 0 EDADLP CC(C)(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000423374318 446507168 /nfs/dbraw/zinc/50/71/68/446507168.db2.gz JTJCQOLETXBNEY-INIZCTEOSA-N 2 2 333.476 1.940 20 0 EDADLP C[C@H](C(=O)NC1CC1)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375013094 446513670 /nfs/dbraw/zinc/51/36/70/446513670.db2.gz OQPRINHPCXOTCO-OAHLLOKOSA-N 2 2 330.476 1.687 20 0 EDADLP C[C@H](C(=O)NC1CC1)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375013094 446513681 /nfs/dbraw/zinc/51/36/81/446513681.db2.gz OQPRINHPCXOTCO-OAHLLOKOSA-N 2 2 330.476 1.687 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CC2(C[NH3+])CC2)[NH+]2CCOCC2)cc1 ZINC000423361566 446499518 /nfs/dbraw/zinc/49/95/18/446499518.db2.gz XCWPTEYWOXXQQX-KRWDZBQOSA-N 2 2 331.460 1.614 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1C[NH3+] ZINC000420388913 446562648 /nfs/dbraw/zinc/56/26/48/446562648.db2.gz XMNMMHOGLHZSQV-ZIAGYGMSSA-N 2 2 344.459 1.667 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@H]1C[NH3+] ZINC000420388913 446562654 /nfs/dbraw/zinc/56/26/54/446562654.db2.gz XMNMMHOGLHZSQV-ZIAGYGMSSA-N 2 2 344.459 1.667 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000418370838 446518233 /nfs/dbraw/zinc/51/82/33/446518233.db2.gz OZKWBZFMELCKIG-OAHLLOKOSA-N 2 2 346.479 1.492 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420345677 446519518 /nfs/dbraw/zinc/51/95/18/446519518.db2.gz BBXAOTDMEJZCEB-KRWDZBQOSA-N 2 2 337.489 1.512 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420345677 446519524 /nfs/dbraw/zinc/51/95/24/446519524.db2.gz BBXAOTDMEJZCEB-KRWDZBQOSA-N 2 2 337.489 1.512 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1C[NH+](C)C ZINC000411407456 446525427 /nfs/dbraw/zinc/52/54/27/446525427.db2.gz LTZBGFUTEJDLGU-CQSZACIVSA-N 2 2 332.448 1.158 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)ccc1C[NH+](C)C ZINC000411407456 446525434 /nfs/dbraw/zinc/52/54/34/446525434.db2.gz LTZBGFUTEJDLGU-CQSZACIVSA-N 2 2 332.448 1.158 20 0 EDADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350623 446527260 /nfs/dbraw/zinc/52/72/60/446527260.db2.gz HKFBTNZHWBKQLY-SKDRFNHKSA-N 2 2 330.226 1.028 20 0 EDADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350623 446527264 /nfs/dbraw/zinc/52/72/64/446527264.db2.gz HKFBTNZHWBKQLY-SKDRFNHKSA-N 2 2 330.226 1.028 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000418398202 446527447 /nfs/dbraw/zinc/52/74/47/446527447.db2.gz KKIOTNUBGHMZQE-OAHLLOKOSA-N 2 2 346.479 1.477 20 0 EDADLP C[C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000420353626 446534173 /nfs/dbraw/zinc/53/41/73/446534173.db2.gz NLBASXJRFLWSSF-CMPLNLGQSA-N 2 2 349.353 1.014 20 0 EDADLP C[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000420353626 446534177 /nfs/dbraw/zinc/53/41/77/446534177.db2.gz NLBASXJRFLWSSF-CMPLNLGQSA-N 2 2 349.353 1.014 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CCOC ZINC000367342726 446536699 /nfs/dbraw/zinc/53/66/99/446536699.db2.gz PUXHTKLHPGTNAU-JKSUJKDBSA-N 2 2 334.464 1.720 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC[N@H+]1CCOC ZINC000367342726 446536703 /nfs/dbraw/zinc/53/67/03/446536703.db2.gz PUXHTKLHPGTNAU-JKSUJKDBSA-N 2 2 334.464 1.720 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420358777 446540260 /nfs/dbraw/zinc/54/02/60/446540260.db2.gz FEBWCFRJAVUDRI-DNVCBOLYSA-N 2 2 331.460 1.775 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420358777 446540262 /nfs/dbraw/zinc/54/02/62/446540262.db2.gz FEBWCFRJAVUDRI-DNVCBOLYSA-N 2 2 331.460 1.775 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420360437 446541771 /nfs/dbraw/zinc/54/17/71/446541771.db2.gz HDPKONRNHQQAPI-WWGRRREGSA-N 2 2 325.478 1.413 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000420362583 446542322 /nfs/dbraw/zinc/54/23/22/446542322.db2.gz ZFASCWOEIMGVJR-GXTWGEPZSA-N 2 2 343.374 1.035 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000420362583 446542330 /nfs/dbraw/zinc/54/23/30/446542330.db2.gz ZFASCWOEIMGVJR-GXTWGEPZSA-N 2 2 343.374 1.035 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1OC ZINC000420364188 446544221 /nfs/dbraw/zinc/54/42/21/446544221.db2.gz JZHWWOJZDMYFER-PMUMKWKESA-N 2 2 349.475 1.638 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000433181866 446545223 /nfs/dbraw/zinc/54/52/23/446545223.db2.gz ZIRTYZPNONPGIC-QGZVFWFLSA-N 2 2 346.475 1.437 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000453170508 446549228 /nfs/dbraw/zinc/54/92/28/446549228.db2.gz GPCYTVFJEITPBP-MNEFBYGVSA-N 2 2 326.444 1.633 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000453170508 446549231 /nfs/dbraw/zinc/54/92/31/446549231.db2.gz GPCYTVFJEITPBP-MNEFBYGVSA-N 2 2 326.444 1.633 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000420373200 446551165 /nfs/dbraw/zinc/55/11/65/446551165.db2.gz QWZDZQVQRIAEDK-DVOMOZLQSA-N 2 2 326.462 1.445 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCc1ccccc1Cn1cccn1 ZINC000420372520 446551217 /nfs/dbraw/zinc/55/12/17/446551217.db2.gz YBKJTOGUUWMLCE-QGZVFWFLSA-N 2 2 343.475 1.511 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420376168 446551947 /nfs/dbraw/zinc/55/19/47/446551947.db2.gz AHUAQTGMEVRXEZ-DLBZAZTESA-N 2 2 325.497 1.629 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420376168 446551955 /nfs/dbraw/zinc/55/19/55/446551955.db2.gz AHUAQTGMEVRXEZ-DLBZAZTESA-N 2 2 325.497 1.629 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418460397 446552422 /nfs/dbraw/zinc/55/24/22/446552422.db2.gz KECOJXKZRGTKPX-SJLPKXTDSA-N 2 2 346.475 1.520 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418464548 446553942 /nfs/dbraw/zinc/55/39/42/446553942.db2.gz FHCSVRXZCYFLAK-CABCVRRESA-N 2 2 347.463 1.439 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000420377969 446554979 /nfs/dbraw/zinc/55/49/79/446554979.db2.gz TVODLIOYOSGZMD-OAHLLOKOSA-N 2 2 336.505 1.249 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1nncs1 ZINC000371074940 446612690 /nfs/dbraw/zinc/61/26/90/446612690.db2.gz PFCCKNDWYSXIEO-GFCCVEGCSA-N 2 2 334.449 1.961 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1nncs1 ZINC000371074940 446612694 /nfs/dbraw/zinc/61/26/94/446612694.db2.gz PFCCKNDWYSXIEO-GFCCVEGCSA-N 2 2 334.449 1.961 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420394509 446568955 /nfs/dbraw/zinc/56/89/55/446568955.db2.gz RTWNGHQDOVRUOZ-GOSISDBHSA-N 2 2 349.475 1.279 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420394509 446568958 /nfs/dbraw/zinc/56/89/58/446568958.db2.gz RTWNGHQDOVRUOZ-GOSISDBHSA-N 2 2 349.475 1.279 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000420403472 446576884 /nfs/dbraw/zinc/57/68/84/446576884.db2.gz KYWVMBSQKAEPIC-PKOBYXMFSA-N 3 2 344.503 1.248 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000420403472 446576887 /nfs/dbraw/zinc/57/68/87/446576887.db2.gz KYWVMBSQKAEPIC-PKOBYXMFSA-N 3 2 344.503 1.248 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@H]1C[NH3+] ZINC000420405858 446578682 /nfs/dbraw/zinc/57/86/82/446578682.db2.gz MZTORJNBNIWFSE-JKSUJKDBSA-N 2 2 345.491 1.927 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C[C@H]1C[NH3+] ZINC000420405858 446578686 /nfs/dbraw/zinc/57/86/86/446578686.db2.gz MZTORJNBNIWFSE-JKSUJKDBSA-N 2 2 345.491 1.927 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C[C@H]1C[NH3+] ZINC000420410136 446583703 /nfs/dbraw/zinc/58/37/03/446583703.db2.gz RBPWRRCUNBMTGO-UONOGXRCSA-N 2 2 347.488 1.848 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C[C@H]1C[NH3+] ZINC000420410136 446583707 /nfs/dbraw/zinc/58/37/07/446583707.db2.gz RBPWRRCUNBMTGO-UONOGXRCSA-N 2 2 347.488 1.848 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413144 446586766 /nfs/dbraw/zinc/58/67/66/446586766.db2.gz ZWIVLJKYFJDYOF-RHSMWYFYSA-N 2 2 345.443 1.876 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413144 446586771 /nfs/dbraw/zinc/58/67/71/446586771.db2.gz ZWIVLJKYFJDYOF-RHSMWYFYSA-N 2 2 345.443 1.876 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[NH2+][C@H](C)[C@H]1C)CC2 ZINC000423592666 446594132 /nfs/dbraw/zinc/59/41/32/446594132.db2.gz FCKUWXFUGWOYCO-ZIAGYGMSSA-N 2 2 347.459 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[NH2+][C@H](C)[C@H]1C)CC2 ZINC000423592666 446594137 /nfs/dbraw/zinc/59/41/37/446594137.db2.gz FCKUWXFUGWOYCO-ZIAGYGMSSA-N 2 2 347.459 1.271 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@](C)(C[NH3+])C1)CC2 ZINC000423616233 446607401 /nfs/dbraw/zinc/60/74/01/446607401.db2.gz WEQAVMMUDJNUDB-LJQANCHMSA-N 2 2 347.459 1.259 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000418659542 446638833 /nfs/dbraw/zinc/63/88/33/446638833.db2.gz XMHVBEQLCKRPLU-FGTMMUONSA-N 2 2 346.475 1.363 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000418659542 446638840 /nfs/dbraw/zinc/63/88/40/446638840.db2.gz XMHVBEQLCKRPLU-FGTMMUONSA-N 2 2 346.475 1.363 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@@H+]2C)cn1 ZINC000368101676 446641162 /nfs/dbraw/zinc/64/11/62/446641162.db2.gz UVENSPCLAVEYNN-SUMWQHHRSA-N 2 2 339.447 1.816 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@H+]2C)cn1 ZINC000368101676 446641170 /nfs/dbraw/zinc/64/11/70/446641170.db2.gz UVENSPCLAVEYNN-SUMWQHHRSA-N 2 2 339.447 1.816 20 0 EDADLP CCOCCC(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000376677325 446644025 /nfs/dbraw/zinc/64/40/25/446644025.db2.gz CDGFAHMTDNZBQQ-OAHLLOKOSA-N 2 2 334.464 1.800 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc[nH+]1 ZINC000371129378 446644240 /nfs/dbraw/zinc/64/42/40/446644240.db2.gz LQDFXBWALMMJJI-JKSUJKDBSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]cn1 ZINC000371129378 446644242 /nfs/dbraw/zinc/64/42/42/446644242.db2.gz LQDFXBWALMMJJI-JKSUJKDBSA-N 2 2 347.463 1.103 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418728534 446656409 /nfs/dbraw/zinc/65/64/09/446656409.db2.gz NHCUSMDTBSIXMF-CABCVRRESA-N 2 2 344.450 1.891 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000423746183 446675860 /nfs/dbraw/zinc/67/58/60/446675860.db2.gz NKJCSKUMPJLYKY-KRWDZBQOSA-N 2 2 331.460 1.289 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000423746183 446675871 /nfs/dbraw/zinc/67/58/71/446675871.db2.gz NKJCSKUMPJLYKY-KRWDZBQOSA-N 2 2 331.460 1.289 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434254965 446631985 /nfs/dbraw/zinc/63/19/85/446631985.db2.gz FZYFVDJPHLLYKV-ZMSDIMECSA-N 2 2 330.432 1.871 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000434254965 446631988 /nfs/dbraw/zinc/63/19/88/446631988.db2.gz FZYFVDJPHLLYKV-ZMSDIMECSA-N 2 2 330.432 1.871 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375258924 446676092 /nfs/dbraw/zinc/67/60/92/446676092.db2.gz AEGJYKNJLZLZDN-QFBILLFUSA-N 2 2 329.444 1.765 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCO[C@H](C2CCC2)C1)c1ccccc1 ZINC000411855941 446699285 /nfs/dbraw/zinc/69/92/85/446699285.db2.gz VEPROXZRDAOXTE-OALUTQOASA-N 2 2 345.487 1.906 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCO[C@H](C2CCC2)C1)c1ccccc1 ZINC000411855941 446699291 /nfs/dbraw/zinc/69/92/91/446699291.db2.gz VEPROXZRDAOXTE-OALUTQOASA-N 2 2 345.487 1.906 20 0 EDADLP CCc1nnc(N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)nc1CC ZINC000420619613 446706789 /nfs/dbraw/zinc/70/67/89/446706789.db2.gz ADJBIXOZRPAJPR-UHFFFAOYSA-N 2 2 346.523 1.993 20 0 EDADLP CCc1nnc(N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)nc1CC ZINC000420619613 446706795 /nfs/dbraw/zinc/70/67/95/446706795.db2.gz ADJBIXOZRPAJPR-UHFFFAOYSA-N 2 2 346.523 1.993 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423822900 446712634 /nfs/dbraw/zinc/71/26/34/446712634.db2.gz JEXYEHBAFFILLM-SOUVJXGZSA-N 2 2 343.830 1.704 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423822900 446712638 /nfs/dbraw/zinc/71/26/38/446712638.db2.gz JEXYEHBAFFILLM-SOUVJXGZSA-N 2 2 343.830 1.704 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000423823721 446713461 /nfs/dbraw/zinc/71/34/61/446713461.db2.gz UZYGBJYUXCLAPV-AWEZNQCLSA-N 2 2 337.489 1.709 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423836592 446724118 /nfs/dbraw/zinc/72/41/18/446724118.db2.gz WSKNOXPTLMYTHV-ZIAGYGMSSA-N 2 2 325.815 1.950 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423836592 446724124 /nfs/dbraw/zinc/72/41/24/446724124.db2.gz WSKNOXPTLMYTHV-ZIAGYGMSSA-N 2 2 325.815 1.950 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000423837736 446726546 /nfs/dbraw/zinc/72/65/46/446726546.db2.gz XBZZSKNKLLOMQN-MJBXVCDLSA-N 2 2 325.865 1.864 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2CSC[NH2+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000423837736 446726551 /nfs/dbraw/zinc/72/65/51/446726551.db2.gz XBZZSKNKLLOMQN-MJBXVCDLSA-N 2 2 325.865 1.864 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423860256 446733996 /nfs/dbraw/zinc/73/39/96/446733996.db2.gz ABOFGHDGCIKZJM-HOTGVXAUSA-N 2 2 327.432 1.244 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000368264696 446746508 /nfs/dbraw/zinc/74/65/08/446746508.db2.gz HCBJLRNJCSHREY-MRXNPFEDSA-N 2 2 327.432 1.836 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000368264696 446746513 /nfs/dbraw/zinc/74/65/13/446746513.db2.gz HCBJLRNJCSHREY-MRXNPFEDSA-N 2 2 327.432 1.836 20 0 EDADLP COC(=O)c1coc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000376863473 446761614 /nfs/dbraw/zinc/76/16/14/446761614.db2.gz DBCRIORZEZOIRF-AWEZNQCLSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1coc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000376863473 446761620 /nfs/dbraw/zinc/76/16/20/446761620.db2.gz DBCRIORZEZOIRF-AWEZNQCLSA-N 2 2 335.448 1.667 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423911422 446761879 /nfs/dbraw/zinc/76/18/79/446761879.db2.gz HFFMTOLIAKFVGC-ORIJERBGSA-N 2 2 339.480 1.974 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423911422 446761883 /nfs/dbraw/zinc/76/18/83/446761883.db2.gz HFFMTOLIAKFVGC-ORIJERBGSA-N 2 2 339.480 1.974 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000371321403 446772754 /nfs/dbraw/zinc/77/27/54/446772754.db2.gz QFAWFMYLOLIJQK-INIZCTEOSA-N 2 2 341.463 1.269 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000371321403 446772758 /nfs/dbraw/zinc/77/27/58/446772758.db2.gz QFAWFMYLOLIJQK-INIZCTEOSA-N 2 2 341.463 1.269 20 0 EDADLP O=C([C@H]1CCC[NH2+]1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923159 446773203 /nfs/dbraw/zinc/77/32/03/446773203.db2.gz BJNPMTVSEHQIDI-HUUCEWRRSA-N 2 2 330.432 1.414 20 0 EDADLP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423927754 446778276 /nfs/dbraw/zinc/77/82/76/446778276.db2.gz JJSGSVFPFNDLBR-CVEARBPZSA-N 2 2 344.459 1.804 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000423929288 446780365 /nfs/dbraw/zinc/78/03/65/446780365.db2.gz MEEZNBXBIBYNTO-GHMZBOCLSA-N 2 2 328.363 1.110 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(-n2ccnn2)c1 ZINC000376900428 446786660 /nfs/dbraw/zinc/78/66/60/446786660.db2.gz ZTNKJKINTQYLCD-JCGIZDLHSA-N 2 2 327.432 1.781 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(-n2ccnn2)c1 ZINC000376900428 446786665 /nfs/dbraw/zinc/78/66/65/446786665.db2.gz ZTNKJKINTQYLCD-JCGIZDLHSA-N 2 2 327.432 1.781 20 0 EDADLP CS[C@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@@H]1[NH+](C)C ZINC000375426087 446791110 /nfs/dbraw/zinc/79/11/10/446791110.db2.gz MNKZMDSFARXYPG-WCVJEAGWSA-N 2 2 348.516 1.658 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371345696 446793191 /nfs/dbraw/zinc/79/31/91/446793191.db2.gz WVBAJXNNYGHDJD-BFYDXBDKSA-N 2 2 343.475 1.832 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371345696 446793198 /nfs/dbraw/zinc/79/31/98/446793198.db2.gz WVBAJXNNYGHDJD-BFYDXBDKSA-N 2 2 343.475 1.832 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@]3(C2)CCCOC3)CC1 ZINC000376917801 446795544 /nfs/dbraw/zinc/79/55/44/446795544.db2.gz MBNRUGRKTUJWOK-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP CCC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccn1 ZINC000371348143 446796331 /nfs/dbraw/zinc/79/63/31/446796331.db2.gz SPBPAVREGIRJMP-MJGOQNOKSA-N 2 2 332.492 1.919 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCOC(=O)NC(N)=O ZINC000371396233 446830135 /nfs/dbraw/zinc/83/01/35/446830135.db2.gz IPYLGJLZYZAWJW-CYBMUJFWSA-N 2 2 337.424 1.666 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCOC(=O)NC(N)=O ZINC000371396233 446830141 /nfs/dbraw/zinc/83/01/41/446830141.db2.gz IPYLGJLZYZAWJW-CYBMUJFWSA-N 2 2 337.424 1.666 20 0 EDADLP C[C@H]1[C@@H](CO)CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000412089910 446851510 /nfs/dbraw/zinc/85/15/10/446851510.db2.gz PZBZGZAXOPVVQV-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H]1[C@@H](CO)CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000412089910 446851515 /nfs/dbraw/zinc/85/15/15/446851515.db2.gz PZBZGZAXOPVVQV-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000377013014 446860003 /nfs/dbraw/zinc/86/00/03/446860003.db2.gz IDMWBYQGQSISMF-CQSZACIVSA-N 2 2 334.468 1.503 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000454433050 446871356 /nfs/dbraw/zinc/87/13/56/446871356.db2.gz KFDIRUHHLXRYOD-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000454433050 446871364 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EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(CO)cc1 ZINC000371495328 446891112 /nfs/dbraw/zinc/89/11/12/446891112.db2.gz CKKAVXWRMAXTOE-VQIMIIECSA-N 2 2 333.476 1.016 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(CO)cc1 ZINC000371495328 446891117 /nfs/dbraw/zinc/89/11/17/446891117.db2.gz CKKAVXWRMAXTOE-VQIMIIECSA-N 2 2 333.476 1.016 20 0 EDADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1(CO)CCOCC1 ZINC000420922402 446891946 /nfs/dbraw/zinc/89/19/46/446891946.db2.gz NYBOQYGHTNCAQN-UHFFFAOYSA-N 2 2 334.460 1.492 20 0 EDADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1(CO)CCOCC1 ZINC000420922402 446891950 /nfs/dbraw/zinc/89/19/50/446891950.db2.gz NYBOQYGHTNCAQN-UHFFFAOYSA-N 2 2 334.460 1.492 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000377075483 446905098 /nfs/dbraw/zinc/90/50/98/446905098.db2.gz ATBLPVFEMMHLAQ-LSDHHAIUSA-N 2 2 343.427 1.126 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000377075483 446905104 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VXHLFTATWYKYBG-STQMWFEESA-N 2 2 340.431 1.233 20 0 EDADLP O=C1C[C@H]([NH2+]C(C2CCC2)C2CCC2)CN1CC[NH+]1CCOCC1 ZINC000368559466 446944604 /nfs/dbraw/zinc/94/46/04/446944604.db2.gz VUTJKNQOBGOIPF-KRWDZBQOSA-N 2 2 335.492 1.478 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000442762428 446955213 /nfs/dbraw/zinc/95/52/13/446955213.db2.gz HFTNHSJGMUDMMR-STQMWFEESA-N 2 2 327.450 1.233 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000442762428 446955220 /nfs/dbraw/zinc/95/52/20/446955220.db2.gz HFTNHSJGMUDMMR-STQMWFEESA-N 2 2 327.450 1.233 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000442789633 446968833 /nfs/dbraw/zinc/96/88/33/446968833.db2.gz KABGZQHRVQKGOB-RDJZCZTQSA-N 3 2 346.475 1.126 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000442789633 446968839 /nfs/dbraw/zinc/96/88/39/446968839.db2.gz KABGZQHRVQKGOB-RDJZCZTQSA-N 3 2 346.475 1.126 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])CN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000442789633 446968845 /nfs/dbraw/zinc/96/88/45/446968845.db2.gz KABGZQHRVQKGOB-RDJZCZTQSA-N 2 2 346.475 1.126 20 0 EDADLP O[C@@H](CN1CCC[C@@H]1C[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC000377252140 447020660 /nfs/dbraw/zinc/02/06/60/447020660.db2.gz RGQAHMDQMMGOJW-QZTJIDSGSA-N 2 2 325.497 1.020 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CC[C@@H](O)c3ccccc3)CCO2)CC1 ZINC000375685961 446976119 /nfs/dbraw/zinc/97/61/19/446976119.db2.gz XKJNLYJASXVTTK-RTBURBONSA-N 2 2 333.476 1.058 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CC[C@@H](O)c3ccccc3)CCO2)CC1 ZINC000375685961 446976130 /nfs/dbraw/zinc/97/61/30/446976130.db2.gz XKJNLYJASXVTTK-RTBURBONSA-N 2 2 333.476 1.058 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000419180662 446995180 /nfs/dbraw/zinc/99/51/80/446995180.db2.gz AFEQCAGVFUHZLP-ZIAGYGMSSA-N 2 2 343.431 1.021 20 0 EDADLP COCC[C@@]1(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC[NH2+]C1 ZINC000372098627 447000427 /nfs/dbraw/zinc/00/04/27/447000427.db2.gz MACOPSSJASDYTJ-APWZRJJASA-N 2 2 346.475 1.303 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc3nc[nH]c32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000375786702 447047046 /nfs/dbraw/zinc/04/70/46/447047046.db2.gz FQYJLFCKEGWLMQ-AWEZNQCLSA-N 2 2 341.459 1.803 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc3nc[nH]c32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375786702 447047048 /nfs/dbraw/zinc/04/70/48/447047048.db2.gz FQYJLFCKEGWLMQ-AWEZNQCLSA-N 2 2 341.459 1.803 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)cn1 ZINC000372417726 447055285 /nfs/dbraw/zinc/05/52/85/447055285.db2.gz XJCKXTBSLSYJAY-SJLPKXTDSA-N 2 2 335.496 1.301 20 0 EDADLP CC(C)n1cc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)cn1 ZINC000372417726 447055290 /nfs/dbraw/zinc/05/52/90/447055290.db2.gz XJCKXTBSLSYJAY-SJLPKXTDSA-N 2 2 335.496 1.301 20 0 EDADLP CC(C)n1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cn1 ZINC000372417726 447055294 /nfs/dbraw/zinc/05/52/94/447055294.db2.gz XJCKXTBSLSYJAY-SJLPKXTDSA-N 2 2 335.496 1.301 20 0 EDADLP CC(C)n1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cn1 ZINC000372417726 447055298 /nfs/dbraw/zinc/05/52/98/447055298.db2.gz XJCKXTBSLSYJAY-SJLPKXTDSA-N 2 2 335.496 1.301 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375813340 447072229 /nfs/dbraw/zinc/07/22/29/447072229.db2.gz ZIFGMKCGZJVMPZ-HOTGVXAUSA-N 2 2 336.436 1.561 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)C1 ZINC000413190335 447058357 /nfs/dbraw/zinc/05/83/57/447058357.db2.gz ZYQZKNQWLIRFSS-GJZGRUSLSA-N 2 2 337.468 1.206 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(c2cc(NC[C@H](C)O)nc[nH+]2)C1 ZINC000413190335 447058364 /nfs/dbraw/zinc/05/83/64/447058364.db2.gz ZYQZKNQWLIRFSS-GJZGRUSLSA-N 2 2 337.468 1.206 20 0 EDADLP C[C@@H]1CN(c2noc(-c3ccoc3)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000372472189 447072299 /nfs/dbraw/zinc/07/22/99/447072299.db2.gz LSSFIWXJBLKCTH-CYBMUJFWSA-N 2 2 331.420 1.934 20 0 EDADLP C[C@@H]1CN(c2noc(-c3ccoc3)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000372472189 447072302 /nfs/dbraw/zinc/07/23/02/447072302.db2.gz LSSFIWXJBLKCTH-CYBMUJFWSA-N 2 2 331.420 1.934 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413194458 447061336 /nfs/dbraw/zinc/06/13/36/447061336.db2.gz BQVZZWIKULPWIV-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375800477 447061695 /nfs/dbraw/zinc/06/16/95/447061695.db2.gz AVOKDLAXXRURMA-INIZCTEOSA-N 2 2 336.436 1.515 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1COC(=O)N1CCOCC1 ZINC000375800477 447061702 /nfs/dbraw/zinc/06/17/02/447061702.db2.gz AVOKDLAXXRURMA-INIZCTEOSA-N 2 2 336.436 1.515 20 0 EDADLP CSCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)N(C)C ZINC000377396348 447109401 /nfs/dbraw/zinc/10/94/01/447109401.db2.gz YIMLPCWNTQDKOB-HNNXBMFYSA-N 2 2 336.505 1.850 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000368747890 447082974 /nfs/dbraw/zinc/08/29/74/447082974.db2.gz OZWNXJDHZDYRJN-UHFFFAOYSA-N 2 2 333.480 1.934 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000444175422 447089831 /nfs/dbraw/zinc/08/98/31/447089831.db2.gz KEEMGLYJTLGICZ-HBFSDRIKSA-N 2 2 343.471 1.484 20 0 EDADLP CC(C)C[N@@H+]1CCCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000372574879 447154602 /nfs/dbraw/zinc/15/46/02/447154602.db2.gz PNAJEIBUJVUOJJ-MRXNPFEDSA-N 2 2 333.480 2.236 20 0 EDADLP CC(C)C[N@H+]1CCCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000372574879 447154609 /nfs/dbraw/zinc/15/46/09/447154609.db2.gz PNAJEIBUJVUOJJ-MRXNPFEDSA-N 2 2 333.480 2.236 20 0 EDADLP CC[C@H](C)[C@H](OC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376020201 447213251 /nfs/dbraw/zinc/21/32/51/447213251.db2.gz DZIGDGJIOBTOTF-YOEHRIQHSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@@H]1C[N@H+](CCN2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000425496830 447193714 /nfs/dbraw/zinc/19/37/14/447193714.db2.gz BJAIUGXRDIPYQD-YZGWKJHDSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000425496830 447193717 /nfs/dbraw/zinc/19/37/17/447193717.db2.gz BJAIUGXRDIPYQD-YZGWKJHDSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@@H]1C[NH+](CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000425496830 447193720 /nfs/dbraw/zinc/19/37/20/447193720.db2.gz BJAIUGXRDIPYQD-YZGWKJHDSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@@H]1C[NH+](CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000425496830 447193721 /nfs/dbraw/zinc/19/37/21/447193721.db2.gz BJAIUGXRDIPYQD-YZGWKJHDSA-N 2 2 329.488 1.913 20 0 EDADLP COC(=O)c1cc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cn1C ZINC000377550153 447196886 /nfs/dbraw/zinc/19/68/86/447196886.db2.gz NYARCHWXIOGRHN-UHFFFAOYSA-N 2 2 325.372 1.682 20 0 EDADLP CN(C)c1ncc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000377624600 447252568 /nfs/dbraw/zinc/25/25/68/447252568.db2.gz KWDAFAMRYDORSY-MRXNPFEDSA-N 2 2 332.496 1.002 20 0 EDADLP CN(C)c1ncc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000377624600 447252572 /nfs/dbraw/zinc/25/25/72/447252572.db2.gz KWDAFAMRYDORSY-MRXNPFEDSA-N 2 2 332.496 1.002 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000377626532 447253779 /nfs/dbraw/zinc/25/37/79/447253779.db2.gz OBNIBWPOWHUBAI-CXAGYDPISA-N 2 2 348.472 1.995 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000377626532 447253787 /nfs/dbraw/zinc/25/37/87/447253787.db2.gz OBNIBWPOWHUBAI-CXAGYDPISA-N 2 2 348.472 1.995 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CC[C@H](O)c1ccccc1 ZINC000377581159 447221452 /nfs/dbraw/zinc/22/14/52/447221452.db2.gz LQAJSUYZXUFKGF-IHPCNDPISA-N 2 2 347.503 1.447 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CC[C@H](O)c1ccccc1 ZINC000377581159 447221458 /nfs/dbraw/zinc/22/14/58/447221458.db2.gz LQAJSUYZXUFKGF-IHPCNDPISA-N 2 2 347.503 1.447 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000377581159 447221465 /nfs/dbraw/zinc/22/14/65/447221465.db2.gz LQAJSUYZXUFKGF-IHPCNDPISA-N 2 2 347.503 1.447 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CC[C@H](O)c1ccccc1 ZINC000377581159 447221471 /nfs/dbraw/zinc/22/14/71/447221471.db2.gz LQAJSUYZXUFKGF-IHPCNDPISA-N 2 2 347.503 1.447 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)C1 ZINC000372712186 447239085 /nfs/dbraw/zinc/23/90/85/447239085.db2.gz FLCFQOZKHXIICI-GOSISDBHSA-N 2 2 329.444 1.502 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)C1 ZINC000372712186 447239093 /nfs/dbraw/zinc/23/90/93/447239093.db2.gz FLCFQOZKHXIICI-GOSISDBHSA-N 2 2 329.444 1.502 20 0 EDADLP CN1c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2CCC1=O ZINC000369020305 447268843 /nfs/dbraw/zinc/26/88/43/447268843.db2.gz WJLJEEIBXVLGJJ-IAGOWNOFSA-N 2 2 329.444 1.548 20 0 EDADLP CN1c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2CCC1=O ZINC000369020305 447268849 /nfs/dbraw/zinc/26/88/49/447268849.db2.gz WJLJEEIBXVLGJJ-IAGOWNOFSA-N 2 2 329.444 1.548 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C[C@H]1C ZINC000447233402 447269461 /nfs/dbraw/zinc/26/94/61/447269461.db2.gz ZJLIXEHHOZFXOU-HIFRSBDPSA-N 2 2 332.448 1.968 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C[C@H]1C ZINC000447233402 447269464 /nfs/dbraw/zinc/26/94/64/447269464.db2.gz ZJLIXEHHOZFXOU-HIFRSBDPSA-N 2 2 332.448 1.968 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)c(C)[nH+]1 ZINC000447248147 447271103 /nfs/dbraw/zinc/27/11/03/447271103.db2.gz SSDGAYPDONFCEG-UHFFFAOYSA-N 2 2 344.459 1.971 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000377659929 447277767 /nfs/dbraw/zinc/27/77/67/447277767.db2.gz RLQRPFQHOJPCSG-IBGZPJMESA-N 2 2 333.476 1.794 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000377659930 447278766 /nfs/dbraw/zinc/27/87/66/447278766.db2.gz RLQRPFQHOJPCSG-LJQANCHMSA-N 2 2 333.476 1.794 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C(=O)OC)co2)C1 ZINC000450452529 447492676 /nfs/dbraw/zinc/49/26/76/447492676.db2.gz JVPYDVQCNRUHIX-ZDUSSCGKSA-N 2 2 325.409 1.394 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C(=O)OC)co2)C1 ZINC000450452529 447492684 /nfs/dbraw/zinc/49/26/84/447492684.db2.gz JVPYDVQCNRUHIX-ZDUSSCGKSA-N 2 2 325.409 1.394 20 0 EDADLP C[C@H](C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000450472376 447500354 /nfs/dbraw/zinc/50/03/54/447500354.db2.gz FJJBVSQBAYTOLC-OWCLPIDISA-N 2 2 346.537 1.631 20 0 EDADLP C[C@H](C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000450472376 447500357 /nfs/dbraw/zinc/50/03/57/447500357.db2.gz FJJBVSQBAYTOLC-OWCLPIDISA-N 2 2 346.537 1.631 20 0 EDADLP COC(=O)[C@@]1(C)CCC[NH+]1CC(C)C[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000426808190 447503074 /nfs/dbraw/zinc/50/30/74/447503074.db2.gz QIYIDFCGXCSVBL-QZTJIDSGSA-N 2 2 340.464 1.678 20 0 EDADLP COC(=O)[C@@]1(C)CCC[NH+]1CC(C)C[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000426808190 447503081 /nfs/dbraw/zinc/50/30/81/447503081.db2.gz QIYIDFCGXCSVBL-QZTJIDSGSA-N 2 2 340.464 1.678 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000427301490 447576916 /nfs/dbraw/zinc/57/69/16/447576916.db2.gz XVWWAVLNGQKXNN-HKUYNNGSSA-N 2 2 345.487 1.783 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000427301490 447576921 /nfs/dbraw/zinc/57/69/21/447576921.db2.gz XVWWAVLNGQKXNN-HKUYNNGSSA-N 2 2 345.487 1.783 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000457533616 447589753 /nfs/dbraw/zinc/58/97/53/447589753.db2.gz WWMFJPPQUBQOPP-UHFFFAOYSA-N 2 2 328.416 1.545 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427116932 447546132 /nfs/dbraw/zinc/54/61/32/447546132.db2.gz ZVOOMDKEQIKWHW-DGCLKSJQSA-N 2 2 332.370 1.853 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427116932 447546138 /nfs/dbraw/zinc/54/61/38/447546138.db2.gz ZVOOMDKEQIKWHW-DGCLKSJQSA-N 2 2 332.370 1.853 20 0 EDADLP C[N@H+](CCCCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000422459502 447570907 /nfs/dbraw/zinc/57/09/07/447570907.db2.gz ZAFHLSYCVWULEU-OAHLLOKOSA-N 2 2 347.463 1.454 20 0 EDADLP C[N@@H+](CCCCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000422459502 447570913 /nfs/dbraw/zinc/57/09/13/447570913.db2.gz ZAFHLSYCVWULEU-OAHLLOKOSA-N 2 2 347.463 1.454 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000495864756 447609284 /nfs/dbraw/zinc/60/92/84/447609284.db2.gz IYWVWOKGHUEUEK-ARFHVFGLSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000495864756 447609292 /nfs/dbraw/zinc/60/92/92/447609292.db2.gz IYWVWOKGHUEUEK-ARFHVFGLSA-N 2 2 341.496 1.869 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000495868350 447610108 /nfs/dbraw/zinc/61/01/08/447610108.db2.gz KIAWNLIOFJQQIX-OAHLLOKOSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000495868350 447610116 /nfs/dbraw/zinc/61/01/16/447610116.db2.gz KIAWNLIOFJQQIX-OAHLLOKOSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000495868350 447610119 /nfs/dbraw/zinc/61/01/19/447610119.db2.gz KIAWNLIOFJQQIX-OAHLLOKOSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000495868350 447610123 /nfs/dbraw/zinc/61/01/23/447610123.db2.gz KIAWNLIOFJQQIX-OAHLLOKOSA-N 2 2 341.496 1.821 20 0 EDADLP CCC(C)(C)OCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000457685572 447618665 /nfs/dbraw/zinc/61/86/65/447618665.db2.gz ZYEPFOWZWFTDCH-SJPCQFCGSA-N 2 2 337.508 1.961 20 0 EDADLP CCC(C)(C)OCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000457685572 447618670 /nfs/dbraw/zinc/61/86/70/447618670.db2.gz ZYEPFOWZWFTDCH-SJPCQFCGSA-N 2 2 337.508 1.961 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000495900456 447628940 /nfs/dbraw/zinc/62/89/40/447628940.db2.gz BMSITZFDOVCHGC-HNNXBMFYSA-N 2 2 338.496 1.318 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000495900456 447628944 /nfs/dbraw/zinc/62/89/44/447628944.db2.gz BMSITZFDOVCHGC-HNNXBMFYSA-N 2 2 338.496 1.318 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000416888058 447701749 /nfs/dbraw/zinc/70/17/49/447701749.db2.gz PMIAXZLGVWEXRH-NJAFHUGGSA-N 2 2 346.475 1.499 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1cccc(F)c1 ZINC000416907581 447705203 /nfs/dbraw/zinc/70/52/03/447705203.db2.gz JAAXAMMTDPXXIN-GJZGRUSLSA-N 2 2 331.395 1.685 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422632989 447680282 /nfs/dbraw/zinc/68/02/82/447680282.db2.gz HPNUEZIGUGPJAM-NFAWXSAZSA-N 2 2 333.432 1.717 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422632989 447680289 /nfs/dbraw/zinc/68/02/89/447680289.db2.gz HPNUEZIGUGPJAM-NFAWXSAZSA-N 2 2 333.432 1.717 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416922387 447710209 /nfs/dbraw/zinc/71/02/09/447710209.db2.gz VKHSJMBXBWGSEL-TUKIKUTGSA-N 2 2 331.395 1.780 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000416925432 447711671 /nfs/dbraw/zinc/71/16/71/447711671.db2.gz YJRIHVXNBYOURX-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422714771 447725003 /nfs/dbraw/zinc/72/50/03/447725003.db2.gz LLENYQXEUATVBK-PMACEKPBSA-N 3 2 347.503 1.874 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416994052 447729704 /nfs/dbraw/zinc/72/97/04/447729704.db2.gz NBNHEXJOQXNFRD-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422738657 447734029 /nfs/dbraw/zinc/73/40/29/447734029.db2.gz JRALZJZIPVOSAW-HOTGVXAUSA-N 2 2 325.478 1.605 20 0 EDADLP C[C@H](NCc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422752014 447739520 /nfs/dbraw/zinc/73/95/20/447739520.db2.gz CERVGFTXAMGVMS-FUHWJXTLSA-N 2 2 333.476 1.628 20 0 EDADLP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422772256 447746328 /nfs/dbraw/zinc/74/63/28/447746328.db2.gz SHZRJVPVJYHLJJ-KRWDZBQOSA-N 3 2 339.487 1.963 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]C2)N2CCOCC2)cc1OC ZINC000422773470 447747026 /nfs/dbraw/zinc/74/70/26/447747026.db2.gz UCDOTWNOIPBWHT-CVEARBPZSA-N 2 2 335.448 1.029 20 0 EDADLP Cc1cccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000452086408 447814013 /nfs/dbraw/zinc/81/40/13/447814013.db2.gz XORLBHVDXXCJHL-INIZCTEOSA-N 2 2 333.476 1.873 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422937256 447776662 /nfs/dbraw/zinc/77/66/62/447776662.db2.gz JDJGTOONTYZVEG-SJORKVTESA-N 2 2 339.505 1.947 20 0 EDADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H](C)[NH2+]1 ZINC000430929562 447787858 /nfs/dbraw/zinc/78/78/58/447787858.db2.gz PFIOCOJVSOIOKG-GASCZTMLSA-N 2 2 336.505 1.075 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430928992 447787986 /nfs/dbraw/zinc/78/79/86/447787986.db2.gz MLQKONMSVGSJJA-XHSDSOJGSA-N 2 2 347.459 1.344 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430928992 447787990 /nfs/dbraw/zinc/78/79/90/447787990.db2.gz MLQKONMSVGSJJA-XHSDSOJGSA-N 2 2 347.459 1.344 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000423083116 447801686 /nfs/dbraw/zinc/80/16/86/447801686.db2.gz YHTKFEUQKHKOSF-CVEARBPZSA-N 2 2 326.462 1.202 20 0 EDADLP Cc1nc(NCC2([NH+]3CCCCC3)CCOCC2)nc(N(C)C)[nH+]1 ZINC000488400356 447846572 /nfs/dbraw/zinc/84/65/72/447846572.db2.gz SEDKSFWFEQKTIY-UHFFFAOYSA-N 2 2 334.468 1.693 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000489314097 447854274 /nfs/dbraw/zinc/85/42/74/447854274.db2.gz OACCNZGBHRMJNR-KRWDZBQOSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000489314097 447854276 /nfs/dbraw/zinc/85/42/76/447854276.db2.gz OACCNZGBHRMJNR-KRWDZBQOSA-N 2 2 347.507 1.431 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)no1 ZINC000548946205 447857769 /nfs/dbraw/zinc/85/77/69/447857769.db2.gz LRJFFRKCWVBIMN-UHFFFAOYSA-N 2 2 329.404 1.965 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000497115254 447866403 /nfs/dbraw/zinc/86/64/03/447866403.db2.gz JNQRMVURIPKVQN-CQSZACIVSA-N 2 2 329.485 1.726 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000497115254 447866407 /nfs/dbraw/zinc/86/64/07/447866407.db2.gz JNQRMVURIPKVQN-CQSZACIVSA-N 2 2 329.485 1.726 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523376954 447882910 /nfs/dbraw/zinc/88/29/10/447882910.db2.gz QYFQFTIZQNDJTA-GASCZTMLSA-N 2 2 342.447 1.760 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523376954 447882916 /nfs/dbraw/zinc/88/29/16/447882916.db2.gz QYFQFTIZQNDJTA-GASCZTMLSA-N 2 2 342.447 1.760 20 0 EDADLP CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000552363709 447947448 /nfs/dbraw/zinc/94/74/48/447947448.db2.gz ZMDQRYYNDQGNOE-KZNAEPCWSA-N 2 2 339.524 1.799 20 0 EDADLP CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000552363709 447947450 /nfs/dbraw/zinc/94/74/50/447947450.db2.gz ZMDQRYYNDQGNOE-KZNAEPCWSA-N 2 2 339.524 1.799 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000496836621 447954995 /nfs/dbraw/zinc/95/49/95/447954995.db2.gz HUKOWFWNBLLCPG-GJZGRUSLSA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000496836621 447955002 /nfs/dbraw/zinc/95/50/02/447955002.db2.gz HUKOWFWNBLLCPG-GJZGRUSLSA-N 2 2 327.469 1.432 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)ccn12 ZINC000569939277 447923175 /nfs/dbraw/zinc/92/31/75/447923175.db2.gz NQRZUBJHFOLCAB-MRXNPFEDSA-N 2 2 330.432 1.729 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)ccn12 ZINC000569939277 447923179 /nfs/dbraw/zinc/92/31/79/447923179.db2.gz NQRZUBJHFOLCAB-MRXNPFEDSA-N 2 2 330.432 1.729 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000552184025 447937965 /nfs/dbraw/zinc/93/79/65/447937965.db2.gz WUVFALNAVYQJIT-LBPRGKRZSA-N 2 2 325.416 1.430 20 0 EDADLP Cc1nc(N)c(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000552184025 447937973 /nfs/dbraw/zinc/93/79/73/447937973.db2.gz WUVFALNAVYQJIT-LBPRGKRZSA-N 2 2 325.416 1.430 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000553364030 447986822 /nfs/dbraw/zinc/98/68/22/447986822.db2.gz AUJMTGMGDCLZMM-UHFFFAOYSA-N 2 2 329.452 1.947 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000576169696 447989784 /nfs/dbraw/zinc/98/97/84/447989784.db2.gz OVLRURSQOHGIOI-UONOGXRCSA-N 2 2 330.432 1.564 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000576169696 447989787 /nfs/dbraw/zinc/98/97/87/447989787.db2.gz OVLRURSQOHGIOI-UONOGXRCSA-N 2 2 330.432 1.564 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3[nH+]ccn3C)CC2)CC1 ZINC000553429155 447993682 /nfs/dbraw/zinc/99/36/82/447993682.db2.gz RGWWUQTXRMXMPG-UHFFFAOYSA-N 3 2 333.480 1.233 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C[S@@](C)=O)CC2)CC1 ZINC000553557570 447995308 /nfs/dbraw/zinc/99/53/08/447995308.db2.gz ZHNCUBQVQIWQNI-LFVRLGFBSA-N 2 2 343.537 1.066 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000554287009 448021498 /nfs/dbraw/zinc/02/14/98/448021498.db2.gz YTMGAJIAHXLRLD-UHFFFAOYSA-N 2 2 332.327 1.495 20 0 EDADLP CCOC(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000496907745 448025139 /nfs/dbraw/zinc/02/51/39/448025139.db2.gz CKZWYKIMVJALDC-UHFFFAOYSA-N 2 2 347.459 1.793 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000525804368 448028807 /nfs/dbraw/zinc/02/88/07/448028807.db2.gz UNDYAYFYTJESLZ-QZWWFDLISA-N 2 2 325.497 1.578 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000525804368 448028810 /nfs/dbraw/zinc/02/88/10/448028810.db2.gz UNDYAYFYTJESLZ-QZWWFDLISA-N 2 2 325.497 1.578 20 0 EDADLP C[C@H]1C[C@H]1[N@@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H](C)C1 ZINC000555553509 448086732 /nfs/dbraw/zinc/08/67/32/448086732.db2.gz KKVDMGJICXPWRX-MWDXBVQZSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@H]1C[C@H]1[N@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H](C)C1 ZINC000555553509 448086735 /nfs/dbraw/zinc/08/67/35/448086735.db2.gz KKVDMGJICXPWRX-MWDXBVQZSA-N 2 2 345.491 1.604 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981558 448089650 /nfs/dbraw/zinc/08/96/50/448089650.db2.gz QWXYVGRHILIBFP-QWHCGFSZSA-N 2 2 348.413 1.931 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981558 448089656 /nfs/dbraw/zinc/08/96/56/448089656.db2.gz QWXYVGRHILIBFP-QWHCGFSZSA-N 2 2 348.413 1.931 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981558 448089660 /nfs/dbraw/zinc/08/96/60/448089660.db2.gz QWXYVGRHILIBFP-QWHCGFSZSA-N 2 2 348.413 1.931 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981558 448089665 /nfs/dbraw/zinc/08/96/65/448089665.db2.gz QWXYVGRHILIBFP-QWHCGFSZSA-N 2 2 348.413 1.931 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2c(cnn2C)c1 ZINC000531337190 448064092 /nfs/dbraw/zinc/06/40/92/448064092.db2.gz VDUFDGBLPVJVMR-UHFFFAOYSA-N 2 2 344.463 1.066 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2c(cnn2C)c1 ZINC000531337190 448064098 /nfs/dbraw/zinc/06/40/98/448064098.db2.gz VDUFDGBLPVJVMR-UHFFFAOYSA-N 2 2 344.463 1.066 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1)C1CC1 ZINC000555137401 448064484 /nfs/dbraw/zinc/06/44/84/448064484.db2.gz YSKXPHUUZPCRQE-LJQANCHMSA-N 2 2 341.455 1.441 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1)C1CC1 ZINC000555137401 448064487 /nfs/dbraw/zinc/06/44/87/448064487.db2.gz YSKXPHUUZPCRQE-LJQANCHMSA-N 2 2 341.455 1.441 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])cn2)CC1 ZINC000571156469 448111695 /nfs/dbraw/zinc/11/16/95/448111695.db2.gz DBKSBZXHLQKKIA-MSOLQXFVSA-N 3 2 331.508 1.973 20 0 EDADLP C[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000576883656 448163306 /nfs/dbraw/zinc/16/33/06/448163306.db2.gz JPZYCCJUBVOEET-HIFRSBDPSA-N 2 2 341.402 1.376 20 0 EDADLP C[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000576883656 448163311 /nfs/dbraw/zinc/16/33/11/448163311.db2.gz JPZYCCJUBVOEET-HIFRSBDPSA-N 2 2 341.402 1.376 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531660580 448124969 /nfs/dbraw/zinc/12/49/69/448124969.db2.gz UOOYBUBSDLEJSX-CVEARBPZSA-N 2 2 335.452 1.134 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N[C@@H](CO)C[NH+]3CCCCC3)cc2n1C ZINC000571293742 448130782 /nfs/dbraw/zinc/13/07/82/448130782.db2.gz NWUBRKQQCNJVCC-OAHLLOKOSA-N 2 2 330.432 1.458 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1 ZINC000571315254 448135390 /nfs/dbraw/zinc/13/53/90/448135390.db2.gz DNDCRSOGKVBQHM-HZPDHXFCSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1 ZINC000571315254 448135394 /nfs/dbraw/zinc/13/53/94/448135394.db2.gz DNDCRSOGKVBQHM-HZPDHXFCSA-N 2 2 337.851 1.490 20 0 EDADLP Cc1nc(NCC(C)(C)[N@@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000532014903 448182155 /nfs/dbraw/zinc/18/21/55/448182155.db2.gz NDVAFBWFBCPPDR-UHFFFAOYSA-N 2 2 340.475 2.495 20 0 EDADLP Cc1nc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000532014903 448182163 /nfs/dbraw/zinc/18/21/63/448182163.db2.gz NDVAFBWFBCPPDR-UHFFFAOYSA-N 2 2 340.475 2.495 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000577073186 448206951 /nfs/dbraw/zinc/20/69/51/448206951.db2.gz MIGLEASDVPVURB-KBPBESRZSA-N 2 2 331.254 1.385 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000577073186 448206954 /nfs/dbraw/zinc/20/69/54/448206954.db2.gz MIGLEASDVPVURB-KBPBESRZSA-N 2 2 331.254 1.385 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C(C)C)N3CC[NH+](C)CC3)ccn12 ZINC000571941017 448241076 /nfs/dbraw/zinc/24/10/76/448241076.db2.gz WRWUMEMOBDMLBI-KRWDZBQOSA-N 2 2 343.475 1.645 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)ccn12 ZINC000571941017 448241081 /nfs/dbraw/zinc/24/10/81/448241081.db2.gz WRWUMEMOBDMLBI-KRWDZBQOSA-N 2 2 343.475 1.645 20 0 EDADLP CC[N@H+](CCO)CCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492624374 448239623 /nfs/dbraw/zinc/23/96/23/448239623.db2.gz SHRVVHMNLHTRSN-YVMONPNESA-N 2 2 328.416 1.316 20 0 EDADLP CC[N@@H+](CCO)CCNC(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000492624374 448239629 /nfs/dbraw/zinc/23/96/29/448239629.db2.gz SHRVVHMNLHTRSN-YVMONPNESA-N 2 2 328.416 1.316 20 0 EDADLP CC1(C)COCCN1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000577124661 448216018 /nfs/dbraw/zinc/21/60/18/448216018.db2.gz ASBYXAXFJZEHRT-UHFFFAOYSA-N 2 2 332.492 1.746 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000532210308 448216823 /nfs/dbraw/zinc/21/68/23/448216823.db2.gz ULCJVJWRQPEYRF-QAPCUYQASA-N 2 2 343.471 1.874 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000532210308 448216826 /nfs/dbraw/zinc/21/68/26/448216826.db2.gz ULCJVJWRQPEYRF-QAPCUYQASA-N 2 2 343.471 1.874 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000577163811 448222571 /nfs/dbraw/zinc/22/25/71/448222571.db2.gz QVOAQDXMYDTQGA-IIAWOOMASA-N 2 2 347.463 1.246 20 0 EDADLP C[C@@]1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]C1 ZINC000514923510 448225272 /nfs/dbraw/zinc/22/52/72/448225272.db2.gz DJVRDZKDJFLHCK-GOSISDBHSA-N 2 2 331.464 1.739 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3c(Cl)ccc4cccnc43)CCN2C1=O ZINC000515171126 448268373 /nfs/dbraw/zinc/26/83/73/448268373.db2.gz HHOWPFVYMXOQCQ-SWLSCSKDSA-N 2 2 330.819 1.632 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3c(Cl)ccc4cccnc43)CCN2C1=O ZINC000515171126 448268377 /nfs/dbraw/zinc/26/83/77/448268377.db2.gz HHOWPFVYMXOQCQ-SWLSCSKDSA-N 2 2 330.819 1.632 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC[C@@H]21 ZINC000532526524 448270549 /nfs/dbraw/zinc/27/05/49/448270549.db2.gz BSAQWFQCDRLAIT-HIFRSBDPSA-N 2 2 326.404 1.219 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)CC[C@@H]21 ZINC000532526524 448270550 /nfs/dbraw/zinc/27/05/50/448270550.db2.gz BSAQWFQCDRLAIT-HIFRSBDPSA-N 2 2 326.404 1.219 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nnc2n1CCC2 ZINC000532453985 448262258 /nfs/dbraw/zinc/26/22/58/448262258.db2.gz ZVKYQPZZHXINJL-GDBMZVCRSA-N 2 2 326.448 1.620 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nnc2n1CCC2 ZINC000532453985 448262259 /nfs/dbraw/zinc/26/22/59/448262259.db2.gz ZVKYQPZZHXINJL-GDBMZVCRSA-N 2 2 326.448 1.620 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000591106626 448263850 /nfs/dbraw/zinc/26/38/50/448263850.db2.gz OIBYPOVVXCSGMA-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000582719558 448320613 /nfs/dbraw/zinc/32/06/13/448320613.db2.gz IGBLIGYINLZTAF-INWMFGNUSA-N 2 2 337.851 1.802 20 0 EDADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)S(C)(=O)=O ZINC000582601912 448285452 /nfs/dbraw/zinc/28/54/52/448285452.db2.gz WWVHEVPEZIOUBA-KGLIPLIRSA-N 2 2 330.519 1.983 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577395181 448287152 /nfs/dbraw/zinc/28/71/52/448287152.db2.gz GUJHSMGCSKHCAR-LIRRHRJNSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577395181 448287161 /nfs/dbraw/zinc/28/71/61/448287161.db2.gz GUJHSMGCSKHCAR-LIRRHRJNSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 ZINC000515345954 448293270 /nfs/dbraw/zinc/29/32/70/448293270.db2.gz BTQZSUUPFJCSIT-KOJWFEOWSA-N 2 2 344.459 1.243 20 0 EDADLP C[C@H]1CC2(CN1C(=O)c1ccc(-n3cc[nH+]c3)nn1)CC[NH2+]CC2 ZINC000515843131 448357218 /nfs/dbraw/zinc/35/72/18/448357218.db2.gz RQVKUPBEVVVMKM-ZDUSSCGKSA-N 2 2 326.404 1.267 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)n[nH]1 ZINC000515856407 448359465 /nfs/dbraw/zinc/35/94/65/448359465.db2.gz SXEOTIMYFJIOEL-DOMZBBRYSA-N 2 2 342.447 1.696 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)n[nH]1 ZINC000515856407 448359469 /nfs/dbraw/zinc/35/94/69/448359469.db2.gz SXEOTIMYFJIOEL-DOMZBBRYSA-N 2 2 342.447 1.696 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000591426253 448360267 /nfs/dbraw/zinc/36/02/67/448360267.db2.gz XHRPLDBKDWOPPK-ROUUACIJSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000591426253 448360273 /nfs/dbraw/zinc/36/02/73/448360273.db2.gz XHRPLDBKDWOPPK-ROUUACIJSA-N 2 2 331.460 1.436 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000572374305 448361719 /nfs/dbraw/zinc/36/17/19/448361719.db2.gz CXNYTLWNGDTRHG-AWEZNQCLSA-N 2 2 346.406 1.544 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000572374305 448361723 /nfs/dbraw/zinc/36/17/23/448361723.db2.gz CXNYTLWNGDTRHG-AWEZNQCLSA-N 2 2 346.406 1.544 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000591442714 448364214 /nfs/dbraw/zinc/36/42/14/448364214.db2.gz WYHJNEQPIICKGK-AEFFLSMTSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000591442714 448364218 /nfs/dbraw/zinc/36/42/18/448364218.db2.gz WYHJNEQPIICKGK-AEFFLSMTSA-N 2 2 331.460 1.395 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000591571300 448392923 /nfs/dbraw/zinc/39/29/23/448392923.db2.gz IAQPHZJJTCKOPE-NSHDSACASA-N 2 2 333.358 1.681 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000591571300 448392929 /nfs/dbraw/zinc/39/29/29/448392929.db2.gz IAQPHZJJTCKOPE-NSHDSACASA-N 2 2 333.358 1.681 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591578625 448394974 /nfs/dbraw/zinc/39/49/74/448394974.db2.gz RKNLIOGSWCECGP-OAHLLOKOSA-N 2 2 332.448 1.022 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591578625 448394978 /nfs/dbraw/zinc/39/49/78/448394978.db2.gz RKNLIOGSWCECGP-OAHLLOKOSA-N 2 2 332.448 1.022 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000577841820 448399444 /nfs/dbraw/zinc/39/94/44/448399444.db2.gz SGIRPTWUWHMPCX-UONOGXRCSA-N 2 2 338.477 1.173 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000533448375 448402676 /nfs/dbraw/zinc/40/26/76/448402676.db2.gz NXJOSMIEYXSSTQ-BFYDXBDKSA-N 2 2 331.464 1.930 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000533448375 448402679 /nfs/dbraw/zinc/40/26/79/448402679.db2.gz NXJOSMIEYXSSTQ-BFYDXBDKSA-N 2 2 331.464 1.930 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000583023583 448406468 /nfs/dbraw/zinc/40/64/68/448406468.db2.gz YLTJLWWQAWJUBA-VPEURPPWSA-N 3 2 337.512 1.065 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000583023583 448406472 /nfs/dbraw/zinc/40/64/72/448406472.db2.gz YLTJLWWQAWJUBA-VPEURPPWSA-N 3 2 337.512 1.065 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000533474165 448408572 /nfs/dbraw/zinc/40/85/72/448408572.db2.gz ACPNUXHFWQKEGO-UHFFFAOYSA-N 2 2 325.376 1.330 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000583066748 448414495 /nfs/dbraw/zinc/41/44/95/448414495.db2.gz PRTDDPALVRZLBZ-ZDUSSCGKSA-N 2 2 329.404 1.216 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000566243121 448426681 /nfs/dbraw/zinc/42/66/81/448426681.db2.gz YHUBVUMSGZBCNA-ZWKOTPCHSA-N 2 2 345.487 1.846 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000566243121 448426686 /nfs/dbraw/zinc/42/66/86/448426686.db2.gz YHUBVUMSGZBCNA-ZWKOTPCHSA-N 2 2 345.487 1.846 20 0 EDADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000572706850 448442938 /nfs/dbraw/zinc/44/29/38/448442938.db2.gz SEZRNUOLOSVKSM-UKRRQHHQSA-N 2 2 337.489 1.634 20 0 EDADLP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000572706850 448442945 /nfs/dbraw/zinc/44/29/45/448442945.db2.gz SEZRNUOLOSVKSM-UKRRQHHQSA-N 2 2 337.489 1.634 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000572751754 448457534 /nfs/dbraw/zinc/45/75/34/448457534.db2.gz STIGETKARDKSRI-HOTGVXAUSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000572751754 448457538 /nfs/dbraw/zinc/45/75/38/448457538.db2.gz STIGETKARDKSRI-HOTGVXAUSA-N 2 2 337.851 1.490 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000516728287 448465286 /nfs/dbraw/zinc/46/52/86/448465286.db2.gz NZXBAKXOPCPZAX-UHFFFAOYSA-N 2 2 349.479 1.297 20 0 EDADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000516924235 448498090 /nfs/dbraw/zinc/49/80/90/448498090.db2.gz JMWINBZVQIFYRE-KBMXLJTQSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000516924235 448498094 /nfs/dbraw/zinc/49/80/94/448498094.db2.gz JMWINBZVQIFYRE-KBMXLJTQSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000516924235 448498098 /nfs/dbraw/zinc/49/80/98/448498098.db2.gz JMWINBZVQIFYRE-KBMXLJTQSA-N 2 2 326.481 1.741 20 0 EDADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000516924235 448498103 /nfs/dbraw/zinc/49/81/03/448498103.db2.gz JMWINBZVQIFYRE-KBMXLJTQSA-N 2 2 326.481 1.741 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866854 448511348 /nfs/dbraw/zinc/51/13/48/448511348.db2.gz HSDLZRIRWFLKPD-QGZVFWFLSA-N 2 2 342.443 1.888 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866854 448511354 /nfs/dbraw/zinc/51/13/54/448511354.db2.gz HSDLZRIRWFLKPD-QGZVFWFLSA-N 2 2 342.443 1.888 20 0 EDADLP O=S(=O)(NCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591869300 448516002 /nfs/dbraw/zinc/51/60/02/448516002.db2.gz PAWVJSZIEYPZIN-OAHLLOKOSA-N 2 2 334.445 1.499 20 0 EDADLP O=S(=O)(NCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591869300 448516005 /nfs/dbraw/zinc/51/60/05/448516005.db2.gz PAWVJSZIEYPZIN-OAHLLOKOSA-N 2 2 334.445 1.499 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000517025515 448526737 /nfs/dbraw/zinc/52/67/37/448526737.db2.gz WAWIZQCVWKANOH-CVEARBPZSA-N 2 2 345.409 1.444 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000537943601 448575079 /nfs/dbraw/zinc/57/50/79/448575079.db2.gz SQFKFAJGNNUCOA-RANZSIQMSA-N 2 2 330.476 1.796 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000537943601 448575086 /nfs/dbraw/zinc/57/50/86/448575086.db2.gz SQFKFAJGNNUCOA-RANZSIQMSA-N 2 2 330.476 1.796 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000578450405 448550410 /nfs/dbraw/zinc/55/04/10/448550410.db2.gz AEVJJLUNECXZAN-ISTRZQFTSA-N 2 2 341.402 1.139 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000578450405 448550415 /nfs/dbraw/zinc/55/04/15/448550415.db2.gz AEVJJLUNECXZAN-ISTRZQFTSA-N 2 2 341.402 1.139 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNc2nc(C3CC3)[nH+]c(C)c2OC)CC1 ZINC000578453323 448551672 /nfs/dbraw/zinc/55/16/72/448551672.db2.gz OQXZXVOXUDZVBD-CYBMUJFWSA-N 2 2 333.480 2.109 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566919269 448586474 /nfs/dbraw/zinc/58/64/74/448586474.db2.gz PLKFUHMDNXKULT-UHFFFAOYSA-N 2 2 344.503 1.318 20 0 EDADLP CC[C@@](C)(CO)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000566923141 448586961 /nfs/dbraw/zinc/58/69/61/448586961.db2.gz GEFXICDVXRTRSX-KRWDZBQOSA-N 2 2 325.497 1.462 20 0 EDADLP CCN1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000566924362 448587681 /nfs/dbraw/zinc/58/76/81/448587681.db2.gz PKPDLDNMXDUWSP-OAHLLOKOSA-N 2 2 338.415 1.885 20 0 EDADLP COc1ccc([C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C2CC2)cc1 ZINC000567246252 448649305 /nfs/dbraw/zinc/64/93/05/448649305.db2.gz FIXRLVJNXSTDAA-DOTOQJQBSA-N 2 2 332.448 1.431 20 0 EDADLP COc1ccc([C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C2CC2)cc1 ZINC000567246252 448649311 /nfs/dbraw/zinc/64/93/11/448649311.db2.gz FIXRLVJNXSTDAA-DOTOQJQBSA-N 2 2 332.448 1.431 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1Cl ZINC000567249306 448650072 /nfs/dbraw/zinc/65/00/72/448650072.db2.gz RXBJVCFZHHHJMB-PWSUYJOCSA-N 2 2 328.819 1.824 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000578860662 448654694 /nfs/dbraw/zinc/65/46/94/448654694.db2.gz ANTVFLAYOWGGTG-SCRDCRAPSA-N 2 2 346.393 1.706 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000578860662 448654699 /nfs/dbraw/zinc/65/46/99/448654699.db2.gz ANTVFLAYOWGGTG-SCRDCRAPSA-N 2 2 346.393 1.706 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000518270415 448658954 /nfs/dbraw/zinc/65/89/54/448658954.db2.gz MUCOIFGSRHOURC-ZACQAIPSSA-N 2 2 340.512 1.611 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000518270415 448658956 /nfs/dbraw/zinc/65/89/56/448658956.db2.gz MUCOIFGSRHOURC-ZACQAIPSSA-N 2 2 340.512 1.611 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000567176981 448631258 /nfs/dbraw/zinc/63/12/58/448631258.db2.gz WGOHKFRYHCXFJA-GFCCVEGCSA-N 2 2 343.387 1.030 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000567176981 448631262 /nfs/dbraw/zinc/63/12/62/448631262.db2.gz WGOHKFRYHCXFJA-GFCCVEGCSA-N 2 2 343.387 1.030 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CC23CCSCC3)C[C@H](C)O1 ZINC000567378279 448680668 /nfs/dbraw/zinc/68/06/68/448680668.db2.gz VTDLXFHEBOJJSU-XUWVNRHRSA-N 2 2 328.522 1.579 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CC23CCSCC3)C[C@H](C)O1 ZINC000567378279 448680671 /nfs/dbraw/zinc/68/06/71/448680671.db2.gz VTDLXFHEBOJJSU-XUWVNRHRSA-N 2 2 328.522 1.579 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000519020508 448733921 /nfs/dbraw/zinc/73/39/21/448733921.db2.gz JKTYATWXBBSBBR-JKSUJKDBSA-N 2 2 349.479 1.036 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000519020508 448733926 /nfs/dbraw/zinc/73/39/26/448733926.db2.gz JKTYATWXBBSBBR-JKSUJKDBSA-N 2 2 349.479 1.036 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000519020508 448733929 /nfs/dbraw/zinc/73/39/29/448733929.db2.gz JKTYATWXBBSBBR-JKSUJKDBSA-N 2 2 349.479 1.036 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000519020508 448733931 /nfs/dbraw/zinc/73/39/31/448733931.db2.gz JKTYATWXBBSBBR-JKSUJKDBSA-N 2 2 349.479 1.036 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCOCC(F)(F)F)C[C@H](C)O1 ZINC000567677151 448734325 /nfs/dbraw/zinc/73/43/25/448734325.db2.gz HNGZCHLYCYQDKF-FRRDWIJNSA-N 2 2 328.375 1.015 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCOCC(F)(F)F)C[C@H](C)O1 ZINC000567677151 448734328 /nfs/dbraw/zinc/73/43/28/448734328.db2.gz HNGZCHLYCYQDKF-FRRDWIJNSA-N 2 2 328.375 1.015 20 0 EDADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000519635151 448807365 /nfs/dbraw/zinc/80/73/65/448807365.db2.gz UZEHVBGJQYSIHD-RDJZCZTQSA-N 3 2 347.507 1.400 20 0 EDADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000519635151 448807366 /nfs/dbraw/zinc/80/73/66/448807366.db2.gz UZEHVBGJQYSIHD-RDJZCZTQSA-N 3 2 347.507 1.400 20 0 EDADLP CCO[C@@H](CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000574180729 448811463 /nfs/dbraw/zinc/81/14/63/448811463.db2.gz XIPBNKNYNCKSAV-HOTGVXAUSA-N 2 2 326.485 1.256 20 0 EDADLP CCO[C@@H](CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000574180729 448811466 /nfs/dbraw/zinc/81/14/66/448811466.db2.gz XIPBNKNYNCKSAV-HOTGVXAUSA-N 2 2 326.485 1.256 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCCC(C)(C)C1 ZINC000545992390 448811909 /nfs/dbraw/zinc/81/19/09/448811909.db2.gz PYYZHKWKXHTZFZ-QGZVFWFLSA-N 2 2 339.524 1.925 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000574043415 448777329 /nfs/dbraw/zinc/77/73/29/448777329.db2.gz ATIKWFLYTXROEU-UHFFFAOYSA-N 2 2 333.480 1.916 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)Cc1ccc(OC)c(F)c1 ZINC000519538528 448780385 /nfs/dbraw/zinc/78/03/85/448780385.db2.gz DVTWEMSSJQJBOL-IVMMDQJWSA-N 2 2 337.439 1.327 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579376496 448782259 /nfs/dbraw/zinc/78/22/59/448782259.db2.gz TUIHEZQLVQEIID-AWEZNQCLSA-N 2 2 337.431 1.880 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579376496 448782265 /nfs/dbraw/zinc/78/22/65/448782265.db2.gz TUIHEZQLVQEIID-AWEZNQCLSA-N 2 2 337.431 1.880 20 0 EDADLP O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3c[nH+]cn3Cc3ccccc3)C2)N1 ZINC000568009819 448799097 /nfs/dbraw/zinc/79/90/97/448799097.db2.gz RONOUQXSQQOCPO-SFHVURJKSA-N 2 2 339.399 1.105 20 0 EDADLP O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3c[nH+]cn3Cc3ccccc3)C2)N1 ZINC000568009819 448799106 /nfs/dbraw/zinc/79/91/06/448799106.db2.gz RONOUQXSQQOCPO-SFHVURJKSA-N 2 2 339.399 1.105 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)n2)nn1 ZINC000568164808 448825809 /nfs/dbraw/zinc/82/58/09/448825809.db2.gz ASCMLCBKCXSHTQ-LLVKDONJSA-N 2 2 341.375 1.258 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)n2)nn1 ZINC000568164808 448825814 /nfs/dbraw/zinc/82/58/14/448825814.db2.gz ASCMLCBKCXSHTQ-LLVKDONJSA-N 2 2 341.375 1.258 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000568165052 448826588 /nfs/dbraw/zinc/82/65/88/448826588.db2.gz FZPFYUKVQUYRQH-INIZCTEOSA-N 2 2 340.427 1.599 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)NCC(=O)c2ccccc2)C1 ZINC000568165052 448826592 /nfs/dbraw/zinc/82/65/92/448826592.db2.gz FZPFYUKVQUYRQH-INIZCTEOSA-N 2 2 340.427 1.599 20 0 EDADLP COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000568167545 448827852 /nfs/dbraw/zinc/82/78/52/448827852.db2.gz IPROXJAHJZXSIO-IRXDYDNUSA-N 2 2 345.443 1.796 20 0 EDADLP COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000568167545 448827854 /nfs/dbraw/zinc/82/78/54/448827854.db2.gz IPROXJAHJZXSIO-IRXDYDNUSA-N 2 2 345.443 1.796 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC([C@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000529366239 448842456 /nfs/dbraw/zinc/84/24/56/448842456.db2.gz JTVHMDIZMZUJLH-AWEZNQCLSA-N 2 2 348.495 2.089 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000574336092 448848241 /nfs/dbraw/zinc/84/82/41/448848241.db2.gz GKZBMLUKYPHZSS-GOSISDBHSA-N 2 2 339.455 1.641 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000574336092 448848244 /nfs/dbraw/zinc/84/82/44/448848244.db2.gz GKZBMLUKYPHZSS-GOSISDBHSA-N 2 2 339.455 1.641 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000519830211 448854925 /nfs/dbraw/zinc/85/49/25/448854925.db2.gz XJIVIUIPVMTNHL-DLBZAZTESA-N 2 2 326.868 1.680 20 0 EDADLP OCCC[N@H+]1CCC[C@H]([NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000519830211 448854927 /nfs/dbraw/zinc/85/49/27/448854927.db2.gz XJIVIUIPVMTNHL-DLBZAZTESA-N 2 2 326.868 1.680 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NCC1([NH+]2CCOCC2)CC1 ZINC000574409188 448868645 /nfs/dbraw/zinc/86/86/45/448868645.db2.gz JDUGKCNOXXAHPZ-MRXNPFEDSA-N 2 2 336.480 1.167 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)NCC1([NH+]2CCOCC2)CC1 ZINC000574409188 448868650 /nfs/dbraw/zinc/86/86/50/448868650.db2.gz JDUGKCNOXXAHPZ-MRXNPFEDSA-N 2 2 336.480 1.167 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000574444971 448875052 /nfs/dbraw/zinc/87/50/52/448875052.db2.gz JYPTYSGOYHXOIG-OAHLLOKOSA-N 2 2 325.840 1.979 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000574444971 448875053 /nfs/dbraw/zinc/87/50/53/448875053.db2.gz JYPTYSGOYHXOIG-OAHLLOKOSA-N 2 2 325.840 1.979 20 0 EDADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nnnn3C3CC3)CC2)C[C@@H](C)O1 ZINC000588710237 448918870 /nfs/dbraw/zinc/91/88/70/448918870.db2.gz RJWQMMSKSDOWEH-ZIAGYGMSSA-N 2 2 334.468 1.329 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000574685017 448931859 /nfs/dbraw/zinc/93/18/59/448931859.db2.gz XUIXBPNZGRGVGT-ZSZQSSIHSA-N 2 2 334.460 1.897 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000574685017 448931865 /nfs/dbraw/zinc/93/18/65/448931865.db2.gz XUIXBPNZGRGVGT-ZSZQSSIHSA-N 2 2 334.460 1.897 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000547509483 448892996 /nfs/dbraw/zinc/89/29/96/448892996.db2.gz YESIIKUCXQAMDY-VYDXJSESSA-N 2 2 347.459 1.164 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000547509483 448893000 /nfs/dbraw/zinc/89/30/00/448893000.db2.gz YESIIKUCXQAMDY-VYDXJSESSA-N 2 2 347.459 1.164 20 0 EDADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000569136811 448969208 /nfs/dbraw/zinc/96/92/08/448969208.db2.gz VJAARIBQYJILEG-SWLSCSKDSA-N 2 2 335.835 1.903 20 0 EDADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)C1 ZINC000569136811 448969214 /nfs/dbraw/zinc/96/92/14/448969214.db2.gz VJAARIBQYJILEG-SWLSCSKDSA-N 2 2 335.835 1.903 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCc3ccn(C)n3)c2cc1C ZINC000569214805 448980250 /nfs/dbraw/zinc/98/02/50/448980250.db2.gz TZXQCKWHTZJXBH-MRXNPFEDSA-N 2 2 327.432 1.580 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCc2c[nH]c3ccccc23)[C@@H](C[NH3+])C1 ZINC000521410954 448983087 /nfs/dbraw/zinc/98/30/87/448983087.db2.gz LYJOJGVNKTWVTN-HNNXBMFYSA-N 2 2 329.448 1.385 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCc2c[nH]c3ccccc23)[C@@H](C[NH3+])C1 ZINC000521410954 448983093 /nfs/dbraw/zinc/98/30/93/448983093.db2.gz LYJOJGVNKTWVTN-HNNXBMFYSA-N 2 2 329.448 1.385 20 0 EDADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000547820819 448937425 /nfs/dbraw/zinc/93/74/25/448937425.db2.gz IOLGYNSUXOADLA-IBGZPJMESA-N 2 2 327.428 1.913 20 0 EDADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000547820819 448937430 /nfs/dbraw/zinc/93/74/30/448937430.db2.gz IOLGYNSUXOADLA-IBGZPJMESA-N 2 2 327.428 1.913 20 0 EDADLP COC(=O)C(C)(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000589258991 448999050 /nfs/dbraw/zinc/99/90/50/448999050.db2.gz HZCVFGSHPBSQCD-IAGOWNOFSA-N 2 2 334.460 1.972 20 0 EDADLP COC(=O)C(C)(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000589258991 448999053 /nfs/dbraw/zinc/99/90/53/448999053.db2.gz HZCVFGSHPBSQCD-IAGOWNOFSA-N 2 2 334.460 1.972 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000569352556 449010553 /nfs/dbraw/zinc/01/05/53/449010553.db2.gz UOTOQRXGZCXZJU-IUGQGLEPSA-N 3 2 327.513 1.167 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)CCN2C1=O ZINC000569379563 449017419 /nfs/dbraw/zinc/01/74/19/449017419.db2.gz HZFJMVXGKJELJD-CZUORRHYSA-N 2 2 332.423 1.170 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)CCN2C1=O ZINC000569379563 449017425 /nfs/dbraw/zinc/01/74/25/449017425.db2.gz HZFJMVXGKJELJD-CZUORRHYSA-N 2 2 332.423 1.170 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000521519125 448992184 /nfs/dbraw/zinc/99/21/84/448992184.db2.gz FVLQKOBARCWQLX-HOCLYGCPSA-N 2 2 349.479 1.084 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000521519125 448992190 /nfs/dbraw/zinc/99/21/90/448992190.db2.gz FVLQKOBARCWQLX-HOCLYGCPSA-N 2 2 349.479 1.084 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cc(F)c(Cl)cc2F)[C@@H](C[NH3+])C1 ZINC000582231251 449043077 /nfs/dbraw/zinc/04/30/77/449043077.db2.gz WEYYAXHNPVNHLO-JTQLQIEISA-N 2 2 332.782 1.403 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc(F)c(Cl)cc2F)[C@@H](C[NH3+])C1 ZINC000582231251 449043078 /nfs/dbraw/zinc/04/30/78/449043078.db2.gz WEYYAXHNPVNHLO-JTQLQIEISA-N 2 2 332.782 1.403 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000530241289 449091909 /nfs/dbraw/zinc/09/19/09/449091909.db2.gz PPOFLBZRBJSEEI-ROUUACIJSA-N 2 2 333.476 1.316 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000530241289 449091911 /nfs/dbraw/zinc/09/19/11/449091911.db2.gz PPOFLBZRBJSEEI-ROUUACIJSA-N 2 2 333.476 1.316 20 0 EDADLP Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000548807896 449098930 /nfs/dbraw/zinc/09/89/30/449098930.db2.gz WXRUWIUTKRUVKE-UHFFFAOYSA-N 2 2 346.354 1.804 20 0 EDADLP C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000548813278 449100017 /nfs/dbraw/zinc/10/00/17/449100017.db2.gz AXIZWTAZWUDNGW-WBVHZDCISA-N 2 2 342.443 1.748 20 0 EDADLP C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000548813278 449100022 /nfs/dbraw/zinc/10/00/22/449100022.db2.gz AXIZWTAZWUDNGW-WBVHZDCISA-N 2 2 342.443 1.748 20 0 EDADLP COC(=O)c1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000597989711 449175118 /nfs/dbraw/zinc/17/51/18/449175118.db2.gz IHSKXTUJTZTVLT-UHFFFAOYSA-N 2 2 339.411 1.226 20 0 EDADLP COC(=O)c1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000597989711 449175125 /nfs/dbraw/zinc/17/51/25/449175125.db2.gz IHSKXTUJTZTVLT-UHFFFAOYSA-N 2 2 339.411 1.226 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906945 449246489 /nfs/dbraw/zinc/24/64/89/449246489.db2.gz OUQHZJKHLNVIFT-UONOGXRCSA-N 2 2 342.484 1.042 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906945 449246495 /nfs/dbraw/zinc/24/64/95/449246495.db2.gz OUQHZJKHLNVIFT-UONOGXRCSA-N 2 2 342.484 1.042 20 0 EDADLP CCOC(=O)c1sc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc1C ZINC000593909268 449279720 /nfs/dbraw/zinc/27/97/20/449279720.db2.gz JBNCLEIMMDUYCW-QWRGUYRKSA-N 2 2 342.465 1.084 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611806671 449429416 /nfs/dbraw/zinc/42/94/16/449429416.db2.gz LCFHREZHBWKRFX-LSDHHAIUSA-N 2 2 334.464 1.474 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611806671 449429419 /nfs/dbraw/zinc/42/94/19/449429419.db2.gz LCFHREZHBWKRFX-LSDHHAIUSA-N 2 2 334.464 1.474 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000600643591 449469459 /nfs/dbraw/zinc/46/94/59/449469459.db2.gz HNBCKDGKDQJGTC-OLZOCXBDSA-N 2 2 330.354 1.992 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000600643591 449469463 /nfs/dbraw/zinc/46/94/63/449469463.db2.gz HNBCKDGKDQJGTC-OLZOCXBDSA-N 2 2 330.354 1.992 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3Cc4cc(F)ccc4O3)C2)CC1 ZINC000607114872 449572723 /nfs/dbraw/zinc/57/27/23/449572723.db2.gz QKQSOOVGTKTALJ-MAUKXSAKSA-N 2 2 347.434 1.414 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3Cc4cc(F)ccc4O3)C2)CC1 ZINC000607114872 449572727 /nfs/dbraw/zinc/57/27/27/449572727.db2.gz QKQSOOVGTKTALJ-MAUKXSAKSA-N 2 2 347.434 1.414 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]([NH+]4CCOCC4)CC3)ccn12 ZINC000614447258 449615701 /nfs/dbraw/zinc/61/57/01/449615701.db2.gz IYNUIIVKKGOTQR-KRWDZBQOSA-N 2 2 342.443 1.970 20 0 EDADLP COC(=O)c1[nH]c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000602480670 449624320 /nfs/dbraw/zinc/62/43/20/449624320.db2.gz IIHKYRMNDUELQW-RDJZCZTQSA-N 2 2 348.491 1.568 20 0 EDADLP COC(=O)c1[nH]c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000602480670 449624321 /nfs/dbraw/zinc/62/43/21/449624321.db2.gz IIHKYRMNDUELQW-RDJZCZTQSA-N 2 2 348.491 1.568 20 0 EDADLP CCOC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)on1 ZINC000602484865 449627350 /nfs/dbraw/zinc/62/73/50/449627350.db2.gz JFMIAXSTYFXAIN-VBNZEHGJSA-N 2 2 337.420 1.535 20 0 EDADLP CCOC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)on1 ZINC000602484865 449627355 /nfs/dbraw/zinc/62/73/55/449627355.db2.gz JFMIAXSTYFXAIN-VBNZEHGJSA-N 2 2 337.420 1.535 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)c1ccc(Cl)s1 ZINC000617507501 449659441 /nfs/dbraw/zinc/65/94/41/449659441.db2.gz ZDQOWMYQSCUAEO-NSHDSACASA-N 2 2 345.896 1.972 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)c1ccc(Cl)s1 ZINC000617507501 449659447 /nfs/dbraw/zinc/65/94/47/449659447.db2.gz ZDQOWMYQSCUAEO-NSHDSACASA-N 2 2 345.896 1.972 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000614491214 449643473 /nfs/dbraw/zinc/64/34/73/449643473.db2.gz QQMHDFBOXUCYJG-ARFHVFGLSA-N 2 2 332.448 1.094 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602599586 449696027 /nfs/dbraw/zinc/69/60/27/449696027.db2.gz CHUNWBHUCZUTAC-CYBMUJFWSA-N 2 2 340.518 1.331 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)CO1 ZINC000617727062 449784708 /nfs/dbraw/zinc/78/47/08/449784708.db2.gz CQRNDYMLWYJMDX-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)CO1 ZINC000617727062 449784714 /nfs/dbraw/zinc/78/47/14/449784714.db2.gz CQRNDYMLWYJMDX-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP COc1ccccc1C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617767179 449831541 /nfs/dbraw/zinc/83/15/41/449831541.db2.gz JQXSIFWUBVDQMJ-UHFFFAOYSA-N 2 2 333.476 1.727 20 0 EDADLP COc1ccccc1C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617767179 449831547 /nfs/dbraw/zinc/83/15/47/449831547.db2.gz JQXSIFWUBVDQMJ-UHFFFAOYSA-N 2 2 333.476 1.727 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2ccccc2)on1 ZINC000617767741 449831751 /nfs/dbraw/zinc/83/17/51/449831751.db2.gz ASQQXSYYWJHQGB-UHFFFAOYSA-N 2 2 330.432 1.955 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2ccccc2)on1 ZINC000617767741 449831754 /nfs/dbraw/zinc/83/17/54/449831754.db2.gz ASQQXSYYWJHQGB-UHFFFAOYSA-N 2 2 330.432 1.955 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000617767174 449831943 /nfs/dbraw/zinc/83/19/43/449831943.db2.gz JPSPBJVGUWJQFK-UHFFFAOYSA-N 2 2 344.459 1.001 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000617767174 449831950 /nfs/dbraw/zinc/83/19/50/449831950.db2.gz JPSPBJVGUWJQFK-UHFFFAOYSA-N 2 2 344.459 1.001 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000615088906 449950726 /nfs/dbraw/zinc/95/07/26/449950726.db2.gz VDIDCCYKKFFPHS-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000615088906 449950730 /nfs/dbraw/zinc/95/07/30/449950730.db2.gz VDIDCCYKKFFPHS-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000602894651 449902167 /nfs/dbraw/zinc/90/21/67/449902167.db2.gz YPMNVKLJRANORX-SFHVURJKSA-N 2 2 336.432 1.241 20 0 EDADLP COC(=O)c1cccc(OCC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000602894651 449902171 /nfs/dbraw/zinc/90/21/71/449902171.db2.gz YPMNVKLJRANORX-SFHVURJKSA-N 2 2 336.432 1.241 20 0 EDADLP C[C@@H](CNc1nc(NCCO)c2ccccc2[nH+]1)C[NH+]1CCCCC1 ZINC000601505387 450027206 /nfs/dbraw/zinc/02/72/06/450027206.db2.gz HYESWGOJKOGJLR-HNNXBMFYSA-N 2 2 343.475 1.412 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583092 450083714 /nfs/dbraw/zinc/08/37/14/450083714.db2.gz QHJATIXUCWKODZ-OWCLPIDISA-N 2 2 344.496 1.225 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583092 450083720 /nfs/dbraw/zinc/08/37/20/450083720.db2.gz QHJATIXUCWKODZ-OWCLPIDISA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583092 450083723 /nfs/dbraw/zinc/08/37/23/450083723.db2.gz QHJATIXUCWKODZ-OWCLPIDISA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583092 450083727 /nfs/dbraw/zinc/08/37/27/450083727.db2.gz QHJATIXUCWKODZ-OWCLPIDISA-N 2 2 344.496 1.225 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)nc1 ZINC000595472248 450166716 /nfs/dbraw/zinc/16/67/16/450166716.db2.gz JRGAHUULKSOHND-SFHVURJKSA-N 2 2 347.459 1.945 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)nc1 ZINC000595472248 450166723 /nfs/dbraw/zinc/16/67/23/450166723.db2.gz JRGAHUULKSOHND-SFHVURJKSA-N 2 2 347.459 1.945 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)C2(CO)CCCC2)CC1 ZINC000625454515 450370917 /nfs/dbraw/zinc/37/09/17/450370917.db2.gz DQUSIJZDLYGAHX-UHFFFAOYSA-N 2 2 345.487 1.568 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)C2(CO)CCCC2)CC1 ZINC000625454515 450370933 /nfs/dbraw/zinc/37/09/33/450370933.db2.gz DQUSIJZDLYGAHX-UHFFFAOYSA-N 2 2 345.487 1.568 20 0 EDADLP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1[nH+]ccn1C ZINC000620597192 450518796 /nfs/dbraw/zinc/51/87/96/450518796.db2.gz XRMCDSCKNMONBG-CYBMUJFWSA-N 2 2 328.420 1.058 20 0 EDADLP C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1[nH+]ccn1C ZINC000620600879 450519476 /nfs/dbraw/zinc/51/94/76/450519476.db2.gz RGAXVGDJOZPJGA-HNNXBMFYSA-N 2 2 341.459 1.659 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000623420026 450519842 /nfs/dbraw/zinc/51/98/42/450519842.db2.gz JVJDNPRRZJMZFV-SJORKVTESA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000623420026 450519843 /nfs/dbraw/zinc/51/98/43/450519843.db2.gz JVJDNPRRZJMZFV-SJORKVTESA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000625848103 450520931 /nfs/dbraw/zinc/52/09/31/450520931.db2.gz QUFPBKBQBNBNMQ-OFQRWUPVSA-N 2 2 332.448 1.779 20 0 EDADLP C[N@@H+]1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](c2ccccc2)C1 ZINC000626081632 450571267 /nfs/dbraw/zinc/57/12/67/450571267.db2.gz ILKLMKFLQQLDEQ-QRVBRYPASA-N 2 2 343.471 1.265 20 0 EDADLP C[N@H+]1C[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](c2ccccc2)C1 ZINC000626081632 450571268 /nfs/dbraw/zinc/57/12/68/450571268.db2.gz ILKLMKFLQQLDEQ-QRVBRYPASA-N 2 2 343.471 1.265 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1c[nH+]cn1C ZINC000620785801 450544710 /nfs/dbraw/zinc/54/47/10/450544710.db2.gz WLZLCCZQMGNXAT-AEFFLSMTSA-N 2 2 341.459 1.414 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1c[nH+]cn1C ZINC000620785801 450544712 /nfs/dbraw/zinc/54/47/12/450544712.db2.gz WLZLCCZQMGNXAT-AEFFLSMTSA-N 2 2 341.459 1.414 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000623719509 450572347 /nfs/dbraw/zinc/57/23/47/450572347.db2.gz XSHNSZXPTZWCRP-AWEZNQCLSA-N 2 2 346.479 1.856 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000623719509 450572348 /nfs/dbraw/zinc/57/23/48/450572348.db2.gz XSHNSZXPTZWCRP-AWEZNQCLSA-N 2 2 346.479 1.856 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000623631924 450555773 /nfs/dbraw/zinc/55/57/73/450555773.db2.gz ATOLJNHJJLCRGF-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000623631924 450555775 /nfs/dbraw/zinc/55/57/75/450555775.db2.gz ATOLJNHJJLCRGF-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCCC[C@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000623631924 450555777 /nfs/dbraw/zinc/55/57/77/450555777.db2.gz ATOLJNHJJLCRGF-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCCC[C@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000623631924 450555779 /nfs/dbraw/zinc/55/57/79/450555779.db2.gz ATOLJNHJJLCRGF-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)CCO1 ZINC000620975762 450567921 /nfs/dbraw/zinc/56/79/21/450567921.db2.gz CEOSOVHKBSPXLY-HNNXBMFYSA-N 2 2 347.450 1.533 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000629384995 450641290 /nfs/dbraw/zinc/64/12/90/450641290.db2.gz LCKKTOKWOBNGGB-MRXNPFEDSA-N 2 2 326.444 1.764 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000629384995 450641296 /nfs/dbraw/zinc/64/12/96/450641296.db2.gz LCKKTOKWOBNGGB-MRXNPFEDSA-N 2 2 326.444 1.764 20 0 EDADLP C[C@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)C1CC[NH+](C)CC1 ZINC000623969033 450654621 /nfs/dbraw/zinc/65/46/21/450654621.db2.gz UOGULDHOCTXXRM-HOCLYGCPSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1)C1CC[NH+](C)CC1 ZINC000623969033 450654627 /nfs/dbraw/zinc/65/46/27/450654627.db2.gz UOGULDHOCTXXRM-HOCLYGCPSA-N 2 2 333.480 1.970 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635126614 450672482 /nfs/dbraw/zinc/67/24/82/450672482.db2.gz HIPAEJBXYHIWLN-UHFFFAOYSA-N 2 2 344.459 1.819 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC[N@@H+]1C ZINC000631639528 450689914 /nfs/dbraw/zinc/68/99/14/450689914.db2.gz PMZMKGOEYVYWDL-ZWKOTPCHSA-N 2 2 331.460 1.767 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC[N@H+]1C ZINC000631639528 450689918 /nfs/dbraw/zinc/68/99/18/450689918.db2.gz PMZMKGOEYVYWDL-ZWKOTPCHSA-N 2 2 331.460 1.767 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](C)[C@H](CO)C3)c2cc1C ZINC000621364774 450700395 /nfs/dbraw/zinc/70/03/95/450700395.db2.gz KQXDQQRNLGHQHC-RRQGHBQHSA-N 2 2 331.460 1.964 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](C)[C@H](CO)C3)c2cc1C ZINC000621364774 450700399 /nfs/dbraw/zinc/70/03/99/450700399.db2.gz KQXDQQRNLGHQHC-RRQGHBQHSA-N 2 2 331.460 1.964 20 0 EDADLP CC(C)CC[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000624109839 450709353 /nfs/dbraw/zinc/70/93/53/450709353.db2.gz IKPWXVVXQSKOOU-SFHVURJKSA-N 2 2 327.513 1.170 20 0 EDADLP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000624109839 450709354 /nfs/dbraw/zinc/70/93/54/450709354.db2.gz IKPWXVVXQSKOOU-SFHVURJKSA-N 2 2 327.513 1.170 20 0 EDADLP O[C@H](CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)COCc1ccccc1 ZINC000629555511 450732793 /nfs/dbraw/zinc/73/27/93/450732793.db2.gz WBUACZQCUKQKSB-QRVBRYPASA-N 2 2 334.460 1.311 20 0 EDADLP O=C1Nc2ccccc2C[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624182533 450736810 /nfs/dbraw/zinc/73/68/10/450736810.db2.gz HZKKPCIOURMKNA-AEFFLSMTSA-N 2 2 329.444 1.783 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000629572423 450742472 /nfs/dbraw/zinc/74/24/72/450742472.db2.gz SGFSMHSLWOIDIE-UHFFFAOYSA-N 2 2 344.337 1.822 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000629572423 450742475 /nfs/dbraw/zinc/74/24/75/450742475.db2.gz SGFSMHSLWOIDIE-UHFFFAOYSA-N 2 2 344.337 1.822 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629584555 450750532 /nfs/dbraw/zinc/75/05/32/450750532.db2.gz BHTWNOMABWJPHN-ZYSHUDEJSA-N 2 2 329.444 1.732 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629584555 450750536 /nfs/dbraw/zinc/75/05/36/450750536.db2.gz BHTWNOMABWJPHN-ZYSHUDEJSA-N 2 2 329.444 1.732 20 0 EDADLP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000635267972 450795960 /nfs/dbraw/zinc/79/59/60/450795960.db2.gz WCULFNRZIHUOLD-HUUCEWRRSA-N 2 2 341.415 1.443 20 0 EDADLP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000635267972 450795967 /nfs/dbraw/zinc/79/59/67/450795967.db2.gz WCULFNRZIHUOLD-HUUCEWRRSA-N 2 2 341.415 1.443 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000631824277 450798534 /nfs/dbraw/zinc/79/85/34/450798534.db2.gz ZTBGUMFRPNTDCB-KRWDZBQOSA-N 2 2 329.444 1.156 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000631824277 450798538 /nfs/dbraw/zinc/79/85/38/450798538.db2.gz ZTBGUMFRPNTDCB-KRWDZBQOSA-N 2 2 329.444 1.156 20 0 EDADLP Fc1cc(Br)cnc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631827749 450801247 /nfs/dbraw/zinc/80/12/47/450801247.db2.gz VYWLSHGMZDRGCF-GFCCVEGCSA-N 2 2 343.244 1.463 20 0 EDADLP Fc1cc(Br)cnc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631827749 450801251 /nfs/dbraw/zinc/80/12/51/450801251.db2.gz VYWLSHGMZDRGCF-GFCCVEGCSA-N 2 2 343.244 1.463 20 0 EDADLP Cc1nccnc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000621715581 450846654 /nfs/dbraw/zinc/84/66/54/450846654.db2.gz YPDOBPBXGJXMCB-UHFFFAOYSA-N 2 2 331.464 1.161 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886563 450847600 /nfs/dbraw/zinc/84/76/00/450847600.db2.gz KJBPSTKSIWRAMW-AEFFLSMTSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631886563 450847602 /nfs/dbraw/zinc/84/76/02/450847602.db2.gz KJBPSTKSIWRAMW-AEFFLSMTSA-N 2 2 331.460 1.564 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635348855 450872392 /nfs/dbraw/zinc/87/23/92/450872392.db2.gz MONABGKMQLXVFB-KGLIPLIRSA-N 2 2 326.400 1.935 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635348855 450872398 /nfs/dbraw/zinc/87/23/98/450872398.db2.gz MONABGKMQLXVFB-KGLIPLIRSA-N 2 2 326.400 1.935 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc4n3CCCCC4)C2)CC1 ZINC000621866093 450906338 /nfs/dbraw/zinc/90/63/38/450906338.db2.gz IQBKDTWUFDWLMT-OAHLLOKOSA-N 2 2 345.491 1.508 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc4n3CCCCC4)C2)CC1 ZINC000621866093 450906345 /nfs/dbraw/zinc/90/63/45/450906345.db2.gz IQBKDTWUFDWLMT-OAHLLOKOSA-N 2 2 345.491 1.508 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[N@H+](C)C3CCC3)c[nH+]2)C[C@H](C)O1 ZINC000629948945 450908453 /nfs/dbraw/zinc/90/84/53/450908453.db2.gz STZGYEDBMXBAHZ-GJZGRUSLSA-N 2 2 346.475 1.796 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)C3CCC3)c[nH+]2)C[C@H](C)O1 ZINC000629948945 450908456 /nfs/dbraw/zinc/90/84/56/450908456.db2.gz STZGYEDBMXBAHZ-GJZGRUSLSA-N 2 2 346.475 1.796 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000624702779 450955380 /nfs/dbraw/zinc/95/53/80/450955380.db2.gz ABXSEPWCOFWAJS-UHFFFAOYSA-N 2 2 333.436 1.362 20 0 EDADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC000635458907 450959449 /nfs/dbraw/zinc/95/94/49/450959449.db2.gz WSIVEGFRQUYCOM-UHFFFAOYSA-N 3 2 338.540 1.639 20 0 EDADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(C)(C)C ZINC000635458907 450959455 /nfs/dbraw/zinc/95/94/55/450959455.db2.gz WSIVEGFRQUYCOM-UHFFFAOYSA-N 3 2 338.540 1.639 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[NH2+]1 ZINC000626889887 450987001 /nfs/dbraw/zinc/98/70/01/450987001.db2.gz JBTUDSPSBRSYHT-SWLSCSKDSA-N 2 2 341.415 1.282 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000626916077 451002136 /nfs/dbraw/zinc/00/21/36/451002136.db2.gz AXAGSFRJMSWKMY-DLBZAZTESA-N 2 2 346.475 1.325 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000626924919 451008759 /nfs/dbraw/zinc/00/87/59/451008759.db2.gz CZNOQHKIWKDKKC-KSZLIROESA-N 2 2 346.475 1.500 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000626924988 451008959 /nfs/dbraw/zinc/00/89/59/451008959.db2.gz FDJPFUZMEIUAKO-SJORKVTESA-N 2 2 332.448 1.029 20 0 EDADLP CN(C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1C[NH+]2CCC1CC2 ZINC000635550065 451045460 /nfs/dbraw/zinc/04/54/60/451045460.db2.gz SJMFRNJFMNQVRM-QWHCGFSZSA-N 2 2 330.354 1.929 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635540002 451035620 /nfs/dbraw/zinc/03/56/20/451035620.db2.gz VWLYESMINSMVQG-NWDGAFQWSA-N 2 2 334.342 1.214 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635540002 451035623 /nfs/dbraw/zinc/03/56/23/451035623.db2.gz VWLYESMINSMVQG-NWDGAFQWSA-N 2 2 334.342 1.214 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000633865063 451052603 /nfs/dbraw/zinc/05/26/03/451052603.db2.gz BHARWPJTAUKPST-HZPDHXFCSA-N 3 2 339.528 1.183 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000633865063 451052605 /nfs/dbraw/zinc/05/26/05/451052605.db2.gz BHARWPJTAUKPST-HZPDHXFCSA-N 3 2 339.528 1.183 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000633865063 451052610 /nfs/dbraw/zinc/05/26/10/451052610.db2.gz BHARWPJTAUKPST-HZPDHXFCSA-N 3 2 339.528 1.183 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000633865063 451052612 /nfs/dbraw/zinc/05/26/12/451052612.db2.gz BHARWPJTAUKPST-HZPDHXFCSA-N 3 2 339.528 1.183 20 0 EDADLP COCC[NH+]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635556440 451054201 /nfs/dbraw/zinc/05/42/01/451054201.db2.gz OTVUFPNTTFDVCX-GFCCVEGCSA-N 2 2 334.342 1.167 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000627001371 451066380 /nfs/dbraw/zinc/06/63/80/451066380.db2.gz FUNYCUZSVAOAPO-WBVHZDCISA-N 2 2 327.432 1.902 20 0 EDADLP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O)C[NH+]1CCOCC1 ZINC000635589536 451087080 /nfs/dbraw/zinc/08/70/80/451087080.db2.gz AMXKWZJNXLRYKA-CQSZACIVSA-N 2 2 344.415 1.276 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000627080322 451114376 /nfs/dbraw/zinc/11/43/76/451114376.db2.gz PJQVIDSYRSJCID-AWEZNQCLSA-N 2 2 336.484 2.137 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)n1cc[nH+]c1 ZINC000635689103 451171940 /nfs/dbraw/zinc/17/19/40/451171940.db2.gz JYHRRTRYSZPLBX-INIZCTEOSA-N 2 2 349.479 1.093 20 0 EDADLP Cc1c[nH+]cn1C1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632326587 451199360 /nfs/dbraw/zinc/19/93/60/451199360.db2.gz BUPJHORVLSJPFP-UHFFFAOYSA-N 2 2 326.466 1.252 20 0 EDADLP C[NH+](C)C[C@H](NS(=O)(=O)CC1([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000632336822 451207468 /nfs/dbraw/zinc/20/74/68/451207468.db2.gz GMCBBOZPCCEYEE-HNNXBMFYSA-N 2 2 343.468 1.442 20 0 EDADLP C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000635752134 451219076 /nfs/dbraw/zinc/21/90/76/451219076.db2.gz DSRCTDZEZMCYNL-WQVCFCJDSA-N 2 2 339.867 1.778 20 0 EDADLP C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000635752134 451219080 /nfs/dbraw/zinc/21/90/80/451219080.db2.gz DSRCTDZEZMCYNL-WQVCFCJDSA-N 2 2 339.867 1.778 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000634193101 451227570 /nfs/dbraw/zinc/22/75/70/451227570.db2.gz BOSKXDQCNJIICW-KBPBESRZSA-N 2 2 345.447 1.064 20 0 EDADLP CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193207 451228353 /nfs/dbraw/zinc/22/83/53/451228353.db2.gz GNYPAWAAKGTFKQ-HZPDHXFCSA-N 2 2 332.448 1.977 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[nH+]1 ZINC000635786951 451240148 /nfs/dbraw/zinc/24/01/48/451240148.db2.gz UTXODSGSSDBYNB-KRWDZBQOSA-N 2 2 342.443 1.398 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[nH+]1 ZINC000635786951 451240156 /nfs/dbraw/zinc/24/01/56/451240156.db2.gz UTXODSGSSDBYNB-KRWDZBQOSA-N 2 2 342.443 1.398 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c[nH+]1 ZINC000628424780 451250412 /nfs/dbraw/zinc/25/04/12/451250412.db2.gz QXFDQBXISVXATG-INIZCTEOSA-N 2 2 337.431 1.629 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000638115199 451282986 /nfs/dbraw/zinc/28/29/86/451282986.db2.gz BJHVCXGISNTLEH-WCQYABFASA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@H+]1C ZINC000638115199 451282990 /nfs/dbraw/zinc/28/29/90/451282990.db2.gz BJHVCXGISNTLEH-WCQYABFASA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[NH+]1C ZINC000638115199 451282995 /nfs/dbraw/zinc/28/29/95/451282995.db2.gz BJHVCXGISNTLEH-WCQYABFASA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[NH+]1C ZINC000638115199 451283000 /nfs/dbraw/zinc/28/30/00/451283000.db2.gz BJHVCXGISNTLEH-WCQYABFASA-N 2 2 345.896 1.902 20 0 EDADLP COc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000640413474 451301587 /nfs/dbraw/zinc/30/15/87/451301587.db2.gz OHMLSIUGJIKUPM-UHFFFAOYSA-N 2 2 326.416 1.839 20 0 EDADLP COc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000640413474 451301591 /nfs/dbraw/zinc/30/15/91/451301591.db2.gz OHMLSIUGJIKUPM-UHFFFAOYSA-N 2 2 326.416 1.839 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000638137381 451309836 /nfs/dbraw/zinc/30/98/36/451309836.db2.gz JQMWTPOMPBVORZ-HKUYNNGSSA-N 2 2 346.475 1.140 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000638139588 451314207 /nfs/dbraw/zinc/31/42/07/451314207.db2.gz MSKLFAKVOFZOFT-QGZVFWFLSA-N 3 2 338.540 1.816 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629151 451367030 /nfs/dbraw/zinc/36/70/30/451367030.db2.gz GTECOSRSPAOVPU-ZNMIVQPWSA-N 2 2 333.480 1.864 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629151 451367036 /nfs/dbraw/zinc/36/70/36/451367036.db2.gz GTECOSRSPAOVPU-ZNMIVQPWSA-N 2 2 333.480 1.864 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636610006 451349430 /nfs/dbraw/zinc/34/94/30/451349430.db2.gz IRERPZCYNJOLOY-ZIAGYGMSSA-N 2 2 349.479 1.241 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000628757130 451401715 /nfs/dbraw/zinc/40/17/15/451401715.db2.gz YBUKRJWPTISGDZ-GOSISDBHSA-N 2 2 345.487 1.981 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000628757130 451401719 /nfs/dbraw/zinc/40/17/19/451401719.db2.gz YBUKRJWPTISGDZ-GOSISDBHSA-N 2 2 345.487 1.981 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000638297279 451411594 /nfs/dbraw/zinc/41/15/94/451411594.db2.gz KXWBLRJRBKTNHI-ZMSDIMECSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000638297279 451411598 /nfs/dbraw/zinc/41/15/98/451411598.db2.gz KXWBLRJRBKTNHI-ZMSDIMECSA-N 2 2 339.386 1.205 20 0 EDADLP COc1ncc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000638351708 451452468 /nfs/dbraw/zinc/45/24/68/451452468.db2.gz IMKVBHATCOPZCS-UHFFFAOYSA-N 2 2 348.476 1.244 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1 ZINC000636052370 451468163 /nfs/dbraw/zinc/46/81/63/451468163.db2.gz CQIIUICJNGSMAU-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1 ZINC000636052370 451468170 /nfs/dbraw/zinc/46/81/70/451468170.db2.gz CQIIUICJNGSMAU-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000636052370 451468183 /nfs/dbraw/zinc/46/81/83/451468183.db2.gz CQIIUICJNGSMAU-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)NCc2c[nH+]c3n2CCCC3)ccn1 ZINC000640622873 451472351 /nfs/dbraw/zinc/47/23/51/451472351.db2.gz DINZVVJVWQPSEG-UHFFFAOYSA-N 2 2 328.420 1.998 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000640602645 451448658 /nfs/dbraw/zinc/44/86/58/451448658.db2.gz BQUSHIZXGJSRAD-OAHLLOKOSA-N 2 2 333.436 1.476 20 0 EDADLP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631039590 451547313 /nfs/dbraw/zinc/54/73/13/451547313.db2.gz JLMPCFYNICKIDD-KRWDZBQOSA-N 2 2 344.459 1.772 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCC(F)(F)CC3)C2)CC1 ZINC000636791272 451511790 /nfs/dbraw/zinc/51/17/90/451511790.db2.gz FFSZUXPYOZKIBV-AWEZNQCLSA-N 2 2 344.450 1.986 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCC(F)(F)CC3)C2)CC1 ZINC000636791272 451511793 /nfs/dbraw/zinc/51/17/93/451511793.db2.gz FFSZUXPYOZKIBV-AWEZNQCLSA-N 2 2 344.450 1.986 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000638468767 451531113 /nfs/dbraw/zinc/53/11/13/451531113.db2.gz MAKRREJTGCQTOC-BBRMVZONSA-N 2 2 325.403 1.950 20 0 EDADLP Cc1cn(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)[nH+]1 ZINC000631014576 451536920 /nfs/dbraw/zinc/53/69/20/451536920.db2.gz JZQQJSFMLQXWEA-UHFFFAOYSA-N 2 2 342.443 1.649 20 0 EDADLP Cc1nc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc(N)[nH+]1 ZINC000631047346 451552126 /nfs/dbraw/zinc/55/21/26/451552126.db2.gz PENJQMIURIMHFS-UHFFFAOYSA-N 2 2 332.839 2.128 20 0 EDADLP Cc1nc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc(N)[nH+]1 ZINC000631047346 451552132 /nfs/dbraw/zinc/55/21/32/451552132.db2.gz PENJQMIURIMHFS-UHFFFAOYSA-N 2 2 332.839 2.128 20 0 EDADLP COc1cc(Cl)c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000631049410 451553330 /nfs/dbraw/zinc/55/33/30/451553330.db2.gz FVJRDCRFAXPALJ-ZDUSSCGKSA-N 2 2 328.840 1.904 20 0 EDADLP CN1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631049569 451553994 /nfs/dbraw/zinc/55/39/94/451553994.db2.gz JYDQGQUEDDZNFN-SFHVURJKSA-N 2 2 333.476 1.581 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)CO1 ZINC000636172656 451563831 /nfs/dbraw/zinc/56/38/31/451563831.db2.gz ZYGXMKBRBCIJMY-IAGOWNOFSA-N 2 2 333.476 1.386 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)CCc2ccccc2)[C@H](C)CO1 ZINC000636172656 451563834 /nfs/dbraw/zinc/56/38/34/451563834.db2.gz ZYGXMKBRBCIJMY-IAGOWNOFSA-N 2 2 333.476 1.386 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)CO1 ZINC000636172656 451563842 /nfs/dbraw/zinc/56/38/42/451563842.db2.gz ZYGXMKBRBCIJMY-IAGOWNOFSA-N 2 2 333.476 1.386 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)C[N@@H+](C)CCc2ccccc2)[C@H](C)CO1 ZINC000636172656 451563849 /nfs/dbraw/zinc/56/38/49/451563849.db2.gz ZYGXMKBRBCIJMY-IAGOWNOFSA-N 2 2 333.476 1.386 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)[C@@H]1CC[NH3+] ZINC000634811389 451566571 /nfs/dbraw/zinc/56/65/71/451566571.db2.gz DASGZKJPBMOGAE-HUUCEWRRSA-N 2 2 333.480 1.782 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)[C@@H]1CC[NH3+] ZINC000634811389 451566574 /nfs/dbraw/zinc/56/65/74/451566574.db2.gz DASGZKJPBMOGAE-HUUCEWRRSA-N 2 2 333.480 1.782 20 0 EDADLP OC1(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCC1 ZINC000631131373 451600435 /nfs/dbraw/zinc/60/04/35/451600435.db2.gz VRIMHDAUHPXWLF-UHFFFAOYSA-N 2 2 334.460 1.792 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638611216 451605055 /nfs/dbraw/zinc/60/50/55/451605055.db2.gz MWGRJJDZVYFFNF-QWHCGFSZSA-N 2 2 331.338 1.152 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638611216 451605062 /nfs/dbraw/zinc/60/50/62/451605062.db2.gz MWGRJJDZVYFFNF-QWHCGFSZSA-N 2 2 331.338 1.152 20 0 EDADLP CON1CCC([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631159927 451616722 /nfs/dbraw/zinc/61/67/22/451616722.db2.gz CUSCCWOIQWFSOV-UHFFFAOYSA-N 2 2 349.475 1.513 20 0 EDADLP O=C1CCCN1CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631167757 451620621 /nfs/dbraw/zinc/62/06/21/451620621.db2.gz AEIQBLKFHGATIC-UHFFFAOYSA-N 2 2 347.459 1.110 20 0 EDADLP OC[C@H](CCF)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631168603 451621635 /nfs/dbraw/zinc/62/16/35/451621635.db2.gz LUZDDYUXPMKHRG-INIZCTEOSA-N 2 2 326.412 1.208 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638641624 451626401 /nfs/dbraw/zinc/62/64/01/451626401.db2.gz GAHLICCRWHGHLC-BFYDXBDKSA-N 2 2 348.466 1.593 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000631230624 451652520 /nfs/dbraw/zinc/65/25/20/451652520.db2.gz ZMVGSHSCDLCZKD-GOEBONIOSA-N 2 2 325.478 1.178 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000631230624 451652522 /nfs/dbraw/zinc/65/25/22/451652522.db2.gz ZMVGSHSCDLCZKD-GOEBONIOSA-N 2 2 325.478 1.178 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCN1CC[NH2+]CC1 ZINC000637039124 451692250 /nfs/dbraw/zinc/69/22/50/451692250.db2.gz CRTJGLCSEJLKAX-OAHLLOKOSA-N 2 2 334.468 1.045 20 0 EDADLP CCc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000631344788 451703328 /nfs/dbraw/zinc/70/33/28/451703328.db2.gz SOXOATABOWVQOU-IBGZPJMESA-N 2 2 341.459 1.994 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000638869295 451714958 /nfs/dbraw/zinc/71/49/58/451714958.db2.gz HYXIAUJXCQPEBO-RRQGHBQHSA-N 2 2 332.448 1.369 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000638869295 451714962 /nfs/dbraw/zinc/71/49/62/451714962.db2.gz HYXIAUJXCQPEBO-RRQGHBQHSA-N 2 2 332.448 1.369 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CCc2ccncc2)CC1)[NH+](CC)CC ZINC000636296446 451666685 /nfs/dbraw/zinc/66/66/85/451666685.db2.gz HLYQOEYUSNJYGH-GOSISDBHSA-N 2 2 332.492 1.889 20 0 EDADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(F)F ZINC000641017174 451730190 /nfs/dbraw/zinc/73/01/90/451730190.db2.gz RXPRKOUJRQFREJ-ZDUSSCGKSA-N 2 2 332.439 1.890 20 0 EDADLP COc1cncc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1C ZINC000638983376 451745742 /nfs/dbraw/zinc/74/57/42/451745742.db2.gz GCEWCLZIZMZNPW-UHFFFAOYSA-N 2 2 327.388 1.456 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638988857 451748433 /nfs/dbraw/zinc/74/84/33/451748433.db2.gz JCMCUBLEKNPYQH-UHFFFAOYSA-N 2 2 346.456 1.925 20 0 EDADLP [NH3+][C@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)c1ccccc1 ZINC000638990633 451748906 /nfs/dbraw/zinc/74/89/06/451748906.db2.gz MRICNBWSLRDGHK-KRWDZBQOSA-N 2 2 342.468 1.951 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639019078 451752566 /nfs/dbraw/zinc/75/25/66/451752566.db2.gz BZGPNRPSYNVQOP-AGIUHOORSA-N 2 2 330.354 1.977 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639024263 451753930 /nfs/dbraw/zinc/75/39/30/451753930.db2.gz NMDFQKJRNXXMGH-RBUKOAKNSA-N 2 2 343.471 1.733 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639058485 451759648 /nfs/dbraw/zinc/75/96/48/451759648.db2.gz NZRACHBHXGZCKS-ZWKOTPCHSA-N 2 2 347.503 1.922 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639058485 451759649 /nfs/dbraw/zinc/75/96/49/451759649.db2.gz NZRACHBHXGZCKS-ZWKOTPCHSA-N 2 2 347.503 1.922 20 0 EDADLP COCC[C@H]([NH3+])Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2C)nn1 ZINC000641165143 451766741 /nfs/dbraw/zinc/76/67/41/451766741.db2.gz YBIQZVLVDKBZFB-INIZCTEOSA-N 2 2 340.431 1.727 20 0 EDADLP CC(C)[C@H]([NH3+])c1cn(Cc2cccc(C[NH+]3CCOCC3)c2)nn1 ZINC000641180825 451771281 /nfs/dbraw/zinc/77/12/81/451771281.db2.gz LYCBSJVYLBZPQJ-SFHVURJKSA-N 2 2 329.448 1.814 20 0 EDADLP CN([C@@H](c1nccn1C)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639172008 451784703 /nfs/dbraw/zinc/78/47/03/451784703.db2.gz FYRFFMRJYADOFI-QZTJIDSGSA-N 2 2 331.508 1.972 20 0 EDADLP CN([C@@H](c1nccn1C)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639172008 451784705 /nfs/dbraw/zinc/78/47/05/451784705.db2.gz FYRFFMRJYADOFI-QZTJIDSGSA-N 2 2 331.508 1.972 20 0 EDADLP Cn1ccnc1[C@@H](C1CC1)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172008 451784707 /nfs/dbraw/zinc/78/47/07/451784707.db2.gz FYRFFMRJYADOFI-QZTJIDSGSA-N 2 2 331.508 1.972 20 0 EDADLP Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172008 451784709 /nfs/dbraw/zinc/78/47/09/451784709.db2.gz FYRFFMRJYADOFI-QZTJIDSGSA-N 2 2 331.508 1.972 20 0 EDADLP CN(CC[NH+]1CCCC1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639170345 451784733 /nfs/dbraw/zinc/78/47/33/451784733.db2.gz AHQKZXLGQNKDBN-UHFFFAOYSA-N 2 2 347.503 1.925 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)[NH+]1CCCC1 ZINC000641276302 451802416 /nfs/dbraw/zinc/80/24/16/451802416.db2.gz CBALEYLJLJXMPW-AWEZNQCLSA-N 2 2 337.489 1.437 20 0 EDADLP C[C@@H](CNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)[NH+]1CCCC1 ZINC000641276302 451802419 /nfs/dbraw/zinc/80/24/19/451802419.db2.gz CBALEYLJLJXMPW-AWEZNQCLSA-N 2 2 337.489 1.437 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000653274770 451808814 /nfs/dbraw/zinc/80/88/14/451808814.db2.gz NYJCTLKMQRMGEV-QGZVFWFLSA-N 2 2 341.496 1.091 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[NH+](C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000637413828 451843268 /nfs/dbraw/zinc/84/32/68/451843268.db2.gz HRNIKKQIKUZNHB-UHFFFAOYSA-N 2 2 346.479 1.810 20 0 EDADLP CC(=O)N(C)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639465239 451882616 /nfs/dbraw/zinc/88/26/16/451882616.db2.gz FUDPKQWPOLBHNW-FQEVSTJZSA-N 2 2 345.487 1.566 20 0 EDADLP CC(=O)N(C)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639465239 451882621 /nfs/dbraw/zinc/88/26/21/451882621.db2.gz FUDPKQWPOLBHNW-FQEVSTJZSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H]([NH3+])[C@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CCO1 ZINC000646853597 451889536 /nfs/dbraw/zinc/88/95/36/451889536.db2.gz IUHKECDRZQTSBT-WMLDXEAASA-N 2 2 328.416 1.049 20 0 EDADLP C[C@H]1C[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000641378213 451911787 /nfs/dbraw/zinc/91/17/87/451911787.db2.gz OULMYDTVMSAFMV-DOTOQJQBSA-N 2 2 348.472 1.466 20 0 EDADLP C[C@H]1C[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000641378213 451911792 /nfs/dbraw/zinc/91/17/92/451911792.db2.gz OULMYDTVMSAFMV-DOTOQJQBSA-N 2 2 348.472 1.466 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)[C@@H]2C1 ZINC000646916185 451933846 /nfs/dbraw/zinc/93/38/46/451933846.db2.gz CJMUPIYMHLOCTC-KSZLIROESA-N 2 2 345.512 1.939 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)[C@@H]2C1 ZINC000646916185 451933848 /nfs/dbraw/zinc/93/38/48/451933848.db2.gz CJMUPIYMHLOCTC-KSZLIROESA-N 2 2 345.512 1.939 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000649285702 451958268 /nfs/dbraw/zinc/95/82/68/451958268.db2.gz OXNWJVIZBTUYQA-KBPBESRZSA-N 2 2 330.432 1.011 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000649285851 451959450 /nfs/dbraw/zinc/95/94/50/451959450.db2.gz ZFYRKBPVOWONJX-KBPBESRZSA-N 2 2 330.432 1.140 20 0 EDADLP C[N@H+](C[C@H]1CCc2ncnn21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639597368 451964300 /nfs/dbraw/zinc/96/43/00/451964300.db2.gz DZSDHINWUOFBIL-MJGOQNOKSA-N 2 2 341.459 1.334 20 0 EDADLP C[N@@H+](C[C@H]1CCc2ncnn21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639597368 451964309 /nfs/dbraw/zinc/96/43/09/451964309.db2.gz DZSDHINWUOFBIL-MJGOQNOKSA-N 2 2 341.459 1.334 20 0 EDADLP C[NH+](C[C@H]1CCc2ncnn21)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639597368 451964313 /nfs/dbraw/zinc/96/43/13/451964313.db2.gz DZSDHINWUOFBIL-MJGOQNOKSA-N 2 2 341.459 1.334 20 0 EDADLP C[NH+](C[C@H]1CCc2ncnn21)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639597368 451964318 /nfs/dbraw/zinc/96/43/18/451964318.db2.gz DZSDHINWUOFBIL-MJGOQNOKSA-N 2 2 341.459 1.334 20 0 EDADLP C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000641432353 451971002 /nfs/dbraw/zinc/97/10/02/451971002.db2.gz ZCJPVZREMTZRJI-ZBFHGGJFSA-N 2 2 336.461 1.494 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CCCC2)no1 ZINC000649308096 451985019 /nfs/dbraw/zinc/98/50/19/451985019.db2.gz KCXRHDXSRQVSBS-NHAGDIPZSA-N 2 2 347.463 1.262 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CCO1 ZINC000649312144 451990243 /nfs/dbraw/zinc/99/02/43/451990243.db2.gz TXZDRGYEGMWIHK-AWEZNQCLSA-N 2 2 325.840 1.567 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CCO1 ZINC000649312144 451990245 /nfs/dbraw/zinc/99/02/45/451990245.db2.gz TXZDRGYEGMWIHK-AWEZNQCLSA-N 2 2 325.840 1.567 20 0 EDADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000649319247 451997418 /nfs/dbraw/zinc/99/74/18/451997418.db2.gz RZAFFLXGQYAQAS-GFCCVEGCSA-N 2 2 337.387 1.710 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3Cc4c[nH+]cn4C3)cn2)CC1 ZINC000637660482 452003260 /nfs/dbraw/zinc/00/32/60/452003260.db2.gz DOMDWCCJPVEFNR-LBPRGKRZSA-N 2 2 329.408 1.093 20 0 EDADLP COC[C@@]1(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CCC[NH2+]1 ZINC000649336434 452016109 /nfs/dbraw/zinc/01/61/09/452016109.db2.gz UIWKZTNAAWYAGJ-RHSMWYFYSA-N 2 2 341.402 1.452 20 0 EDADLP C[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000637682933 452018286 /nfs/dbraw/zinc/01/82/86/452018286.db2.gz WGOAFANKWVMMRR-UHFFFAOYSA-N 2 2 335.477 1.092 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000643056221 452028069 /nfs/dbraw/zinc/02/80/69/452028069.db2.gz FCORCZPNFGVGGE-KRWDZBQOSA-N 2 2 346.475 1.571 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2cccc3c2CCC3)CN1CC[NH+]1CCOCC1 ZINC000651752656 452055642 /nfs/dbraw/zinc/05/56/42/452055642.db2.gz OKJHUGWKPLOUMG-GOSISDBHSA-N 2 2 343.471 1.198 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(Cc2cscn2)CC1 ZINC000649411877 452075500 /nfs/dbraw/zinc/07/55/00/452075500.db2.gz MVWGXWGNRCBBBN-ROUUACIJSA-N 2 2 346.500 1.192 20 0 EDADLP c1ccc(C[NH+]2CCN(Cc3nc([C@H]4CCC[NH2+]4)no3)CC2)cc1 ZINC000647152530 452093170 /nfs/dbraw/zinc/09/31/70/452093170.db2.gz HUCONPILWPVWEP-MRXNPFEDSA-N 2 2 327.432 1.812 20 0 EDADLP OC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000637811632 452095057 /nfs/dbraw/zinc/09/50/57/452095057.db2.gz QCSGUELNFCPNLQ-SFHVURJKSA-N 2 2 334.460 1.602 20 0 EDADLP OC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000637811632 452095064 /nfs/dbraw/zinc/09/50/64/452095064.db2.gz QCSGUELNFCPNLQ-SFHVURJKSA-N 2 2 334.460 1.602 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000639762848 452101703 /nfs/dbraw/zinc/10/17/03/452101703.db2.gz OFXPYWNNHZEZBY-OAHLLOKOSA-N 2 2 347.381 1.911 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000639762848 452101709 /nfs/dbraw/zinc/10/17/09/452101709.db2.gz OFXPYWNNHZEZBY-OAHLLOKOSA-N 2 2 347.381 1.911 20 0 EDADLP CC(C)C[C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)n1cc[nH+]c1 ZINC000637825440 452104010 /nfs/dbraw/zinc/10/40/10/452104010.db2.gz VTHUHTXYSBIXKJ-MRXNPFEDSA-N 2 2 342.447 1.914 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000647172202 452104873 /nfs/dbraw/zinc/10/48/73/452104873.db2.gz MIPPTGUEAGNTSY-QWHCGFSZSA-N 2 2 327.425 1.190 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000647172202 452104879 /nfs/dbraw/zinc/10/48/79/452104879.db2.gz MIPPTGUEAGNTSY-QWHCGFSZSA-N 2 2 327.425 1.190 20 0 EDADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647174596 452105216 /nfs/dbraw/zinc/10/52/16/452105216.db2.gz GZWHSDGZKYRFPA-GFCCVEGCSA-N 2 2 329.441 1.295 20 0 EDADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647174596 452105220 /nfs/dbraw/zinc/10/52/20/452105220.db2.gz GZWHSDGZKYRFPA-GFCCVEGCSA-N 2 2 329.441 1.295 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000653779830 452112408 /nfs/dbraw/zinc/11/24/08/452112408.db2.gz FPDYPCNBNNDYLD-FYQPLNBISA-N 2 2 348.487 1.920 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000653779830 452112413 /nfs/dbraw/zinc/11/24/13/452112413.db2.gz FPDYPCNBNNDYLD-FYQPLNBISA-N 2 2 348.487 1.920 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000653779830 452112423 /nfs/dbraw/zinc/11/24/23/452112423.db2.gz FPDYPCNBNNDYLD-FYQPLNBISA-N 2 2 348.487 1.920 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000653779830 452112428 /nfs/dbraw/zinc/11/24/28/452112428.db2.gz FPDYPCNBNNDYLD-FYQPLNBISA-N 2 2 348.487 1.920 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000649530227 452128352 /nfs/dbraw/zinc/12/83/52/452128352.db2.gz OLFZDKFVRFBMSE-MOPGFXCFSA-N 2 2 342.487 1.504 20 0 EDADLP C[N@H+]1CCC[C@@H]1CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000649530227 452128358 /nfs/dbraw/zinc/12/83/58/452128358.db2.gz OLFZDKFVRFBMSE-MOPGFXCFSA-N 2 2 342.487 1.504 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645109962 452156217 /nfs/dbraw/zinc/15/62/17/452156217.db2.gz CRHWALILWVGEEL-GOEBONIOSA-N 2 2 325.416 1.872 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000645126295 452165382 /nfs/dbraw/zinc/16/53/82/452165382.db2.gz HVGRNQIQYUDCCW-AWEZNQCLSA-N 2 2 326.404 1.267 20 0 EDADLP C[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653997881 452196680 /nfs/dbraw/zinc/19/66/80/452196680.db2.gz YVFOJIFSBPYDGY-MCIONIFRSA-N 2 2 331.420 1.954 20 0 EDADLP C[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000653997881 452196683 /nfs/dbraw/zinc/19/66/83/452196683.db2.gz YVFOJIFSBPYDGY-MCIONIFRSA-N 2 2 331.420 1.954 20 0 EDADLP CN(C)c1[nH+]cc(CN2CC[N@H+](C)C[C@H]2Cc2ccccc2)n1C ZINC000651975374 452198099 /nfs/dbraw/zinc/19/80/99/452198099.db2.gz BLBYKMYVNCIGKR-QGZVFWFLSA-N 2 2 327.476 1.845 20 0 EDADLP CN(C)c1[nH+]cc(CN2CC[N@@H+](C)C[C@H]2Cc2ccccc2)n1C ZINC000651975374 452198101 /nfs/dbraw/zinc/19/81/01/452198101.db2.gz BLBYKMYVNCIGKR-QGZVFWFLSA-N 2 2 327.476 1.845 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2(CCC2)CO1 ZINC000651974831 452198594 /nfs/dbraw/zinc/19/85/94/452198594.db2.gz REMSLDWDSICXAM-OAHLLOKOSA-N 2 2 331.464 1.372 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2(CCC2)CO1 ZINC000651974831 452198599 /nfs/dbraw/zinc/19/85/99/452198599.db2.gz REMSLDWDSICXAM-OAHLLOKOSA-N 2 2 331.464 1.372 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639874227 452212205 /nfs/dbraw/zinc/21/22/05/452212205.db2.gz RFOOKYXGLDWDPU-INIZCTEOSA-N 2 2 325.428 1.339 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639874227 452212209 /nfs/dbraw/zinc/21/22/09/452212209.db2.gz RFOOKYXGLDWDPU-INIZCTEOSA-N 2 2 325.428 1.339 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645221660 452219405 /nfs/dbraw/zinc/21/94/05/452219405.db2.gz MZISMSPRQXMYGU-QGZVFWFLSA-N 2 2 331.460 1.646 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000643440792 452222500 /nfs/dbraw/zinc/22/25/00/452222500.db2.gz YNGNIHMDEQSXJL-LSDHHAIUSA-N 2 2 345.443 1.159 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](CCc3cnccn3)CC2)c(C)c[nH+]1 ZINC000639901812 452226792 /nfs/dbraw/zinc/22/67/92/452226792.db2.gz LMRYJCNQMZAWOT-UHFFFAOYSA-N 2 2 340.431 1.303 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cccc(O)c1 ZINC000641784980 452254764 /nfs/dbraw/zinc/25/47/64/452254764.db2.gz GGUNLLCWGBITQU-SJLPKXTDSA-N 2 2 333.476 1.839 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641785558 452255855 /nfs/dbraw/zinc/25/58/55/452255855.db2.gz BZMHYAQUFIMOPM-MOPGFXCFSA-N 2 2 339.524 1.578 20 0 EDADLP c1nc(C2CC2)oc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786356 452259025 /nfs/dbraw/zinc/25/90/25/452259025.db2.gz PQDXUJUHBCVURG-INIZCTEOSA-N 2 2 334.464 1.438 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787448 452261661 /nfs/dbraw/zinc/26/16/61/452261661.db2.gz BFKLBHCHQKXBRM-GOSISDBHSA-N 3 2 347.507 1.034 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000641787448 452261676 /nfs/dbraw/zinc/26/16/76/452261676.db2.gz BFKLBHCHQKXBRM-GOSISDBHSA-N 2 2 347.507 1.034 20 0 EDADLP c1[nH]nc2cccc(C[NH2+][C@H]3CCCN(CC[NH+]4CCOCC4)C3)c12 ZINC000641787740 452262097 /nfs/dbraw/zinc/26/20/97/452262097.db2.gz ZGACGRYUXBEHAG-KRWDZBQOSA-N 2 2 343.475 1.449 20 0 EDADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000641788026 452262448 /nfs/dbraw/zinc/26/24/48/452262448.db2.gz XGMOZWMADRLMPP-QYZOEREBSA-N 2 2 339.524 1.576 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cnn(C)c1 ZINC000641787880 452264432 /nfs/dbraw/zinc/26/44/32/452264432.db2.gz QWNLHKYXBCSNKH-QZTJIDSGSA-N 2 2 335.496 1.257 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000659426180 452269016 /nfs/dbraw/zinc/26/90/16/452269016.db2.gz TWBPOOIXSWPBOY-CHWSQXEVSA-N 2 2 326.466 1.029 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)C[C@H]21 ZINC000643503595 452270027 /nfs/dbraw/zinc/27/00/27/452270027.db2.gz ICYCNNUQYDCCKK-TUVASFSCSA-N 2 2 345.447 1.049 20 0 EDADLP [NH3+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C2CC3CC(C2)CC1C3 ZINC000655480108 452275984 /nfs/dbraw/zinc/27/59/84/452275984.db2.gz OGYBECPZQNMNEL-GLOMSKCUSA-N 2 2 328.460 1.715 20 0 EDADLP CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H](O)C(C)C ZINC000665717568 452280633 /nfs/dbraw/zinc/28/06/33/452280633.db2.gz IAVHDTJXQWGPOM-PVAVHDDUSA-N 2 2 340.512 1.250 20 0 EDADLP CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H](O)C(C)C ZINC000665717568 452280639 /nfs/dbraw/zinc/28/06/39/452280639.db2.gz IAVHDTJXQWGPOM-PVAVHDDUSA-N 2 2 340.512 1.250 20 0 EDADLP Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)cs2)c1C ZINC000641803856 452281295 /nfs/dbraw/zinc/28/12/95/452281295.db2.gz VMGXWAUDHABKDB-CHWSQXEVSA-N 2 2 347.488 1.736 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659450900 452300640 /nfs/dbraw/zinc/30/06/40/452300640.db2.gz HOFDIHFQBGZYRZ-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659450900 452300652 /nfs/dbraw/zinc/30/06/52/452300652.db2.gz HOFDIHFQBGZYRZ-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2[nH+]1 ZINC000657526362 452312254 /nfs/dbraw/zinc/31/22/54/452312254.db2.gz CBWQGIKEGNCQST-HIFRSBDPSA-N 2 2 341.415 1.324 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2[nH+]1 ZINC000657526362 452312269 /nfs/dbraw/zinc/31/22/69/452312269.db2.gz CBWQGIKEGNCQST-HIFRSBDPSA-N 2 2 341.415 1.324 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2[nH+]1 ZINC000657535723 452319885 /nfs/dbraw/zinc/31/98/85/452319885.db2.gz QAOBTUNLXLEMAF-LSDHHAIUSA-N 2 2 341.415 1.324 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2[nH+]1 ZINC000657535723 452319896 /nfs/dbraw/zinc/31/98/96/452319896.db2.gz QAOBTUNLXLEMAF-LSDHHAIUSA-N 2 2 341.415 1.324 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000638051383 452324345 /nfs/dbraw/zinc/32/43/45/452324345.db2.gz GWDKNEYKCWUCKP-IRXDYDNUSA-N 2 2 333.432 1.018 20 0 EDADLP CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000655517920 452328968 /nfs/dbraw/zinc/32/89/68/452328968.db2.gz MTQGNRGNJKOBJW-NSHDSACASA-N 2 2 329.347 1.246 20 0 EDADLP CC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638058899 452347934 /nfs/dbraw/zinc/34/79/34/452347934.db2.gz CNRAXKMFNVNROO-GOSISDBHSA-N 2 2 332.492 1.388 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000638061237 452355886 /nfs/dbraw/zinc/35/58/86/452355886.db2.gz CDAKHJHODQCTNP-VQIMIIECSA-N 2 2 346.475 1.845 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000663626936 452365335 /nfs/dbraw/zinc/36/53/35/452365335.db2.gz AQBYELANFVZNLB-MWDXBVQZSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000663626936 452365344 /nfs/dbraw/zinc/36/53/44/452365344.db2.gz AQBYELANFVZNLB-MWDXBVQZSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000663626936 452365350 /nfs/dbraw/zinc/36/53/50/452365350.db2.gz AQBYELANFVZNLB-MWDXBVQZSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000663626936 452365360 /nfs/dbraw/zinc/36/53/60/452365360.db2.gz AQBYELANFVZNLB-MWDXBVQZSA-N 2 2 340.512 1.658 20 0 EDADLP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]2COC[C@H]2O1 ZINC000649914307 452384182 /nfs/dbraw/zinc/38/41/82/452384182.db2.gz LJTOVIOWEXPKBM-RTBURBONSA-N 2 2 346.471 1.897 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]2COC[C@H]2O1 ZINC000649914307 452384196 /nfs/dbraw/zinc/38/41/96/452384196.db2.gz LJTOVIOWEXPKBM-RTBURBONSA-N 2 2 346.471 1.897 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000654375023 452427045 /nfs/dbraw/zinc/42/70/45/452427045.db2.gz QDQHZHQHFWUFHO-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)n1cc[nH+]c1 ZINC000649975137 452428276 /nfs/dbraw/zinc/42/82/76/452428276.db2.gz PBHGESXZJVOASO-CYBMUJFWSA-N 2 2 341.415 1.316 20 0 EDADLP C[C@H](CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)n1cc[nH+]c1 ZINC000649975137 452428290 /nfs/dbraw/zinc/42/82/90/452428290.db2.gz PBHGESXZJVOASO-CYBMUJFWSA-N 2 2 341.415 1.316 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659584476 452439505 /nfs/dbraw/zinc/43/95/05/452439505.db2.gz JSHYDHPPJSBDEG-HZPDHXFCSA-N 2 2 345.422 1.846 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)c2[nH+]ccn2C)c1 ZINC000654426034 452480118 /nfs/dbraw/zinc/48/01/18/452480118.db2.gz BWBMXTRBTTVEPD-KBXCAEBGSA-N 2 2 342.443 1.976 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)c2[nH+]ccn2C)c1 ZINC000654426034 452480122 /nfs/dbraw/zinc/48/01/22/452480122.db2.gz BWBMXTRBTTVEPD-KBXCAEBGSA-N 2 2 342.443 1.976 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)ccc2[nH+]1 ZINC000665951467 452482204 /nfs/dbraw/zinc/48/22/04/452482204.db2.gz LPFVDKBINLNXRT-OAHLLOKOSA-N 2 2 329.404 1.581 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000659625300 452482228 /nfs/dbraw/zinc/48/22/28/452482228.db2.gz QWIMAMKDXVPRDI-OAHLLOKOSA-N 2 2 339.509 1.734 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000659625300 452482235 /nfs/dbraw/zinc/48/22/35/452482235.db2.gz QWIMAMKDXVPRDI-OAHLLOKOSA-N 2 2 339.509 1.734 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)n[nH]1 ZINC000652335903 452506360 /nfs/dbraw/zinc/50/63/60/452506360.db2.gz PRQOMHUMIFWZCK-SFHVURJKSA-N 2 2 344.463 1.990 20 0 EDADLP C[C@@]12COC[C@@H]1C[N@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000661706644 452509403 /nfs/dbraw/zinc/50/94/03/452509403.db2.gz OPZRHNZCIUBTMW-QFBILLFUSA-N 2 2 344.459 1.089 20 0 EDADLP C[C@@]12COC[C@@H]1C[N@@H+](CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000661706644 452509410 /nfs/dbraw/zinc/50/94/10/452509410.db2.gz OPZRHNZCIUBTMW-QFBILLFUSA-N 2 2 344.459 1.089 20 0 EDADLP COCCOc1ncccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655691240 452513782 /nfs/dbraw/zinc/51/37/82/452513782.db2.gz QXKDVUNMLHJNPT-QGZVFWFLSA-N 2 2 335.448 1.450 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)NCc2cccc(OC)c2)CC1 ZINC000652345051 452516423 /nfs/dbraw/zinc/51/64/23/452516423.db2.gz QMEFDMOXVACRMI-OAHLLOKOSA-N 2 2 349.475 1.400 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1C[NH3+] ZINC000652357033 452534323 /nfs/dbraw/zinc/53/43/23/452534323.db2.gz XSBMVUAUOJEJKA-UHOFOFEASA-N 2 2 337.851 1.741 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1C[NH3+] ZINC000652357033 452534332 /nfs/dbraw/zinc/53/43/32/452534332.db2.gz XSBMVUAUOJEJKA-UHOFOFEASA-N 2 2 337.851 1.741 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cn2ccccc2n1 ZINC000655715536 452535768 /nfs/dbraw/zinc/53/57/68/452535768.db2.gz LNWBENJDZOFAPK-SJORKVTESA-N 2 2 343.475 1.391 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)CC1 ZINC000661735165 452535965 /nfs/dbraw/zinc/53/59/65/452535965.db2.gz DPIUHDYXBUKWEX-QGZVFWFLSA-N 2 2 335.423 1.363 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2c2cccc(F)c2)CC1 ZINC000661735165 452535969 /nfs/dbraw/zinc/53/59/69/452535969.db2.gz DPIUHDYXBUKWEX-QGZVFWFLSA-N 2 2 335.423 1.363 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000647835671 452572904 /nfs/dbraw/zinc/57/29/04/452572904.db2.gz HTBQCFLBGLHSMP-UHFFFAOYSA-N 2 2 334.855 1.258 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000647835671 452572911 /nfs/dbraw/zinc/57/29/11/452572911.db2.gz HTBQCFLBGLHSMP-UHFFFAOYSA-N 2 2 334.855 1.258 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000647836149 452573863 /nfs/dbraw/zinc/57/38/63/452573863.db2.gz BTUPZQIPTQUWBQ-UHFFFAOYSA-N 2 2 333.867 1.863 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000647836149 452573875 /nfs/dbraw/zinc/57/38/75/452573875.db2.gz BTUPZQIPTQUWBQ-UHFFFAOYSA-N 2 2 333.867 1.863 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732789 452629262 /nfs/dbraw/zinc/62/92/62/452629262.db2.gz SXOWUKUSJNETFL-CQSZACIVSA-N 2 2 347.463 1.344 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903851 452644163 /nfs/dbraw/zinc/64/41/63/452644163.db2.gz QXWPBPXTGQGBBO-DOTOQJQBSA-N 2 2 326.444 1.861 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903851 452644172 /nfs/dbraw/zinc/64/41/72/452644172.db2.gz QXWPBPXTGQGBBO-DOTOQJQBSA-N 2 2 326.444 1.861 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925843 452663078 /nfs/dbraw/zinc/66/30/78/452663078.db2.gz ZNCBIKUOYYJRFM-UONOGXRCSA-N 2 2 333.432 1.144 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926864 452664335 /nfs/dbraw/zinc/66/43/35/452664335.db2.gz PGCGOWCWHMVCRZ-OAHLLOKOSA-N 2 2 347.459 1.488 20 0 EDADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000647933800 452673837 /nfs/dbraw/zinc/67/38/37/452673837.db2.gz WEPWOGVLVDLKPY-SJORKVTESA-N 2 2 342.443 2.285 20 0 EDADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccon1 ZINC000647933800 452673842 /nfs/dbraw/zinc/67/38/42/452673842.db2.gz WEPWOGVLVDLKPY-SJORKVTESA-N 2 2 342.443 2.285 20 0 EDADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Nc2ccc3nc(C)cn3n2)C1 ZINC000647947371 452692026 /nfs/dbraw/zinc/69/20/26/452692026.db2.gz MGMKYUKYIBTMMA-INIZCTEOSA-N 2 2 330.480 2.256 20 0 EDADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](Nc2ccc3nc(C)cn3n2)C1 ZINC000647947371 452692033 /nfs/dbraw/zinc/69/20/33/452692033.db2.gz MGMKYUKYIBTMMA-INIZCTEOSA-N 2 2 330.480 2.256 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H]1CC[N@H+](C)C1 ZINC000658041258 452699547 /nfs/dbraw/zinc/69/95/47/452699547.db2.gz XPZVEKMCXBLUMG-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@@H]1CC[N@@H+](C)C1 ZINC000658041258 452699558 /nfs/dbraw/zinc/69/95/58/452699558.db2.gz XPZVEKMCXBLUMG-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659823548 452713872 /nfs/dbraw/zinc/71/38/72/452713872.db2.gz HZXKYIONDHPLER-ROUUACIJSA-N 2 2 338.540 1.450 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000647970451 452716632 /nfs/dbraw/zinc/71/66/32/452716632.db2.gz QXQMIZUYPOPAEP-RBUKOAKNSA-N 2 2 335.492 1.351 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000647970451 452716637 /nfs/dbraw/zinc/71/66/37/452716637.db2.gz QXQMIZUYPOPAEP-RBUKOAKNSA-N 2 2 335.492 1.351 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000658119871 452733547 /nfs/dbraw/zinc/73/35/47/452733547.db2.gz QMRJSFBBQTXZED-CQSZACIVSA-N 2 2 332.448 1.874 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c(C)[nH+]1 ZINC000658119871 452733559 /nfs/dbraw/zinc/73/35/59/452733559.db2.gz QMRJSFBBQTXZED-CQSZACIVSA-N 2 2 332.448 1.874 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)CC2)c1 ZINC000659882403 452757533 /nfs/dbraw/zinc/75/75/33/452757533.db2.gz VMENFJXNYIIZRS-BHYGNILZSA-N 2 2 344.459 1.660 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000659948071 452841415 /nfs/dbraw/zinc/84/14/15/452841415.db2.gz OPWUYDLZMYEJJD-MRXNPFEDSA-N 2 2 337.489 1.512 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000659948071 452841424 /nfs/dbraw/zinc/84/14/24/452841424.db2.gz OPWUYDLZMYEJJD-MRXNPFEDSA-N 2 2 337.489 1.512 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000648166699 452877562 /nfs/dbraw/zinc/87/75/62/452877562.db2.gz KMMWZTMQWUUELE-DOTOQJQBSA-N 2 2 331.460 1.870 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000648166699 452877567 /nfs/dbraw/zinc/87/75/67/452877567.db2.gz KMMWZTMQWUUELE-DOTOQJQBSA-N 2 2 331.460 1.870 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000648176599 452889305 /nfs/dbraw/zinc/88/93/05/452889305.db2.gz CUONUTDPNGLQPZ-ZBFHGGJFSA-N 2 2 327.432 1.965 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154449 452890563 /nfs/dbraw/zinc/89/05/63/452890563.db2.gz FGDXRXQEQZHXRC-LPHOPBHVSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154449 452890566 /nfs/dbraw/zinc/89/05/66/452890566.db2.gz FGDXRXQEQZHXRC-LPHOPBHVSA-N 2 2 345.487 1.565 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000648179946 452892240 /nfs/dbraw/zinc/89/22/40/452892240.db2.gz NIJRRVHPYIGEAJ-HNNXBMFYSA-N 2 2 339.867 1.909 20 0 EDADLP COCCC1(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CC[NH2+]CC1 ZINC000648211621 452916317 /nfs/dbraw/zinc/91/63/17/452916317.db2.gz WOKWUBNMPPGTMA-UHFFFAOYSA-N 2 2 344.459 1.708 20 0 EDADLP Cc1[nH]c2nc[nH+]c(N[C@@H]3CCC(=O)N[C@H]3c3c[nH+]cn3C)c2c1C ZINC000656223150 452971512 /nfs/dbraw/zinc/97/15/12/452971512.db2.gz OBRKGPUETNGOBK-IAQYHMDHSA-N 2 2 339.403 1.740 20 0 EDADLP c1ccc(-c2noc(C3CC[NH+](C[C@@H]4C[NH2+]CCO4)CC3)n2)cc1 ZINC000662257427 452984296 /nfs/dbraw/zinc/98/42/96/452984296.db2.gz OHSYQYWRHZFOHF-INIZCTEOSA-N 2 2 328.416 1.904 20 0 EDADLP FC(F)(F)Cn1nnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000662273532 453002161 /nfs/dbraw/zinc/00/21/61/453002161.db2.gz OBCCOJPQKQHALM-VXGBXAGGSA-N 2 2 332.374 1.447 20 0 EDADLP FC(F)(F)Cn1nnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000662273532 453002167 /nfs/dbraw/zinc/00/21/67/453002167.db2.gz OBCCOJPQKQHALM-VXGBXAGGSA-N 2 2 332.374 1.447 20 0 EDADLP Fc1ccc(OC(F)F)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000662274048 453002285 /nfs/dbraw/zinc/00/22/85/453002285.db2.gz SQGFNZOZULZPJD-CQSZACIVSA-N 2 2 329.366 1.907 20 0 EDADLP COc1cc(N[C@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000662278550 453004064 /nfs/dbraw/zinc/00/40/64/453004064.db2.gz GOQWIYHSBMZGIP-KSSFIOAISA-N 2 2 335.448 1.569 20 0 EDADLP COc1cc(N[C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)cc(OC)c1 ZINC000662278550 453004075 /nfs/dbraw/zinc/00/40/75/453004075.db2.gz GOQWIYHSBMZGIP-KSSFIOAISA-N 2 2 335.448 1.569 20 0 EDADLP c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](C[C@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662279067 453005449 /nfs/dbraw/zinc/00/54/49/453005449.db2.gz PNSGAVLWMMPBOI-HZPDHXFCSA-N 2 2 327.432 1.640 20 0 EDADLP c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](C[C@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662279067 453005452 /nfs/dbraw/zinc/00/54/52/453005452.db2.gz PNSGAVLWMMPBOI-HZPDHXFCSA-N 2 2 327.432 1.640 20 0 EDADLP COc1ncc(Br)cc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662283677 453007345 /nfs/dbraw/zinc/00/73/45/453007345.db2.gz JFJNJRQFPAFELE-UHFFFAOYSA-N 2 2 330.226 1.057 20 0 EDADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662285703 453009368 /nfs/dbraw/zinc/00/93/68/453009368.db2.gz OGNJXRFHYANUNY-MRXNPFEDSA-N 2 2 347.503 1.766 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000654900843 453021412 /nfs/dbraw/zinc/02/14/12/453021412.db2.gz SYSAUJIGVQITPV-DZGCQCFKSA-N 2 2 328.416 1.944 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000654900843 453021420 /nfs/dbraw/zinc/02/14/20/453021420.db2.gz SYSAUJIGVQITPV-DZGCQCFKSA-N 2 2 328.416 1.944 20 0 EDADLP CCc1nnc([C@H](C)N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)[nH]1 ZINC000660107928 453033393 /nfs/dbraw/zinc/03/33/93/453033393.db2.gz UAEZVVYDQAWACM-HNNXBMFYSA-N 2 2 334.512 1.919 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1Cl ZINC000662325624 453043954 /nfs/dbraw/zinc/04/39/54/453043954.db2.gz OBIKZLXILBYCEN-CHWSQXEVSA-N 2 2 342.802 1.139 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](F)[C@H]([NH3+])C2)cc1Cl ZINC000662325624 453043958 /nfs/dbraw/zinc/04/39/58/453043958.db2.gz OBIKZLXILBYCEN-CHWSQXEVSA-N 2 2 342.802 1.139 20 0 EDADLP CN(C)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC000660120155 453047059 /nfs/dbraw/zinc/04/70/59/453047059.db2.gz DKLOAJHIVWHEHY-MRXNPFEDSA-N 2 2 331.464 1.062 20 0 EDADLP CN(C)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC000660120155 453047068 /nfs/dbraw/zinc/04/70/68/453047068.db2.gz DKLOAJHIVWHEHY-MRXNPFEDSA-N 2 2 331.464 1.062 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000650877589 453076116 /nfs/dbraw/zinc/07/61/16/453076116.db2.gz ZWLUDFUMMYLSJL-BFYDXBDKSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000650877589 453076123 /nfs/dbraw/zinc/07/61/23/453076123.db2.gz ZWLUDFUMMYLSJL-BFYDXBDKSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103689 453106422 /nfs/dbraw/zinc/10/64/22/453106422.db2.gz LFTMIQDINQCVIW-HNNXBMFYSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103689 453106431 /nfs/dbraw/zinc/10/64/31/453106431.db2.gz LFTMIQDINQCVIW-HNNXBMFYSA-N 2 2 349.450 1.627 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)c(F)c2)[C@@H](C[NH3+])C1 ZINC000662428588 453138115 /nfs/dbraw/zinc/13/81/15/453138115.db2.gz JXRPQKBIOIBDCH-NSHDSACASA-N 2 2 329.803 1.349 20 0 EDADLP C[N@H+]1CCN(C(=O)CCOc2ccc(Cl)c(F)c2)[C@@H](C[NH3+])C1 ZINC000662428588 453138122 /nfs/dbraw/zinc/13/81/22/453138122.db2.gz JXRPQKBIOIBDCH-NSHDSACASA-N 2 2 329.803 1.349 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664504367 453146366 /nfs/dbraw/zinc/14/63/66/453146366.db2.gz HBLFFJPHRYAJMN-JUVOFCAFSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)CO1 ZINC000664504367 453146371 /nfs/dbraw/zinc/14/63/71/453146371.db2.gz HBLFFJPHRYAJMN-JUVOFCAFSA-N 2 2 340.512 1.515 20 0 EDADLP C[NH+]1CCN(CCn2cc(C[NH2+][C@H]3CCc4ccccc43)nn2)CC1 ZINC000656437787 453182520 /nfs/dbraw/zinc/18/25/20/453182520.db2.gz JHISYWCYAXTKPP-IBGZPJMESA-N 2 2 340.475 1.303 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000662510497 453229271 /nfs/dbraw/zinc/22/92/71/453229271.db2.gz TZOBNNOSNMPYPL-XHSDSOJGSA-N 2 2 341.402 1.579 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000662510497 453229280 /nfs/dbraw/zinc/22/92/80/453229280.db2.gz TZOBNNOSNMPYPL-XHSDSOJGSA-N 2 2 341.402 1.579 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000662512814 453231803 /nfs/dbraw/zinc/23/18/03/453231803.db2.gz WHJSJLKMXAHWSO-JYJNAYRXSA-N 2 2 339.867 1.954 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000662512814 453231810 /nfs/dbraw/zinc/23/18/10/453231810.db2.gz WHJSJLKMXAHWSO-JYJNAYRXSA-N 2 2 339.867 1.954 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660344411 453233246 /nfs/dbraw/zinc/23/32/46/453233246.db2.gz BEJMHGBVKIACKD-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CN(Cc1cc(Br)ccc1F)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653082659 453264885 /nfs/dbraw/zinc/26/48/85/453264885.db2.gz ABVMQNZFOIPQHW-CYBMUJFWSA-N 2 2 346.244 1.826 20 0 EDADLP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC1CCCC1 ZINC000653086203 453268889 /nfs/dbraw/zinc/26/88/89/453268889.db2.gz KAULATKQPPYTEY-INIZCTEOSA-N 2 2 349.475 1.912 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(OCC(F)(F)F)c1 ZINC000653099542 453280939 /nfs/dbraw/zinc/28/09/39/453280939.db2.gz TUZKEIKWCXPEEV-ZDUSSCGKSA-N 2 2 347.381 1.831 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(OC[C@@H]2CCCO2)c1 ZINC000653099114 453281615 /nfs/dbraw/zinc/28/16/15/453281615.db2.gz FSSHYLWFMWXQOB-IRXDYDNUSA-N 2 2 349.475 1.448 20 0 EDADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1noc(Cc2ccccc2)n1 ZINC000653100652 453283818 /nfs/dbraw/zinc/28/38/18/453283818.db2.gz UJFAJJXUZBNHPK-GXTWGEPZSA-N 2 2 331.420 1.117 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000653105779 453288590 /nfs/dbraw/zinc/28/85/90/453288590.db2.gz JGMAAWCINOYWLP-MRXNPFEDSA-N 2 2 338.883 1.263 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000660426081 453296439 /nfs/dbraw/zinc/29/64/39/453296439.db2.gz BKPYYDODBPHTJG-HUUCEWRRSA-N 2 2 325.428 1.765 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000660426081 453296454 /nfs/dbraw/zinc/29/64/54/453296454.db2.gz BKPYYDODBPHTJG-HUUCEWRRSA-N 2 2 325.428 1.765 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000660426081 453296462 /nfs/dbraw/zinc/29/64/62/453296462.db2.gz BKPYYDODBPHTJG-HUUCEWRRSA-N 2 2 325.428 1.765 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000660426081 453296474 /nfs/dbraw/zinc/29/64/74/453296474.db2.gz BKPYYDODBPHTJG-HUUCEWRRSA-N 2 2 325.428 1.765 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1)[NH+]1CCOCC1 ZINC000653117546 453304601 /nfs/dbraw/zinc/30/46/01/453304601.db2.gz ONZAPLWMEDRRAS-QOKNQOGYSA-N 2 2 345.443 1.254 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)c2)CC1 ZINC000653125084 453318484 /nfs/dbraw/zinc/31/84/84/453318484.db2.gz SDSHBRZAHMXIOG-RBUKOAKNSA-N 2 2 342.487 1.903 20 0 EDADLP Cc1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nn1-c1cc(C)cc(C)c1 ZINC000653153599 453342202 /nfs/dbraw/zinc/34/22/02/453342202.db2.gz USAVNJXVFWQZFB-MRXNPFEDSA-N 2 2 329.448 1.437 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000653155353 453344476 /nfs/dbraw/zinc/34/44/76/453344476.db2.gz QEXYKMNESYQUQN-TZMCWYRMSA-N 2 2 325.840 1.599 20 0 EDADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653158758 453351270 /nfs/dbraw/zinc/35/12/70/453351270.db2.gz KQLKFPRZBNWDIY-ROUUACIJSA-N 3 2 348.491 1.227 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000651198815 453353807 /nfs/dbraw/zinc/35/38/07/453353807.db2.gz KGPHDRPPJIMMPB-KRWDZBQOSA-N 2 2 346.475 1.475 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000651198815 453353817 /nfs/dbraw/zinc/35/38/17/453353817.db2.gz KGPHDRPPJIMMPB-KRWDZBQOSA-N 2 2 346.475 1.475 20 0 EDADLP C[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243666 453366455 /nfs/dbraw/zinc/36/64/55/453366455.db2.gz HNAUUBFEKNCODY-SOUVJXGZSA-N 2 2 334.464 1.376 20 0 EDADLP C[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243666 453366463 /nfs/dbraw/zinc/36/64/63/453366463.db2.gz HNAUUBFEKNCODY-SOUVJXGZSA-N 2 2 334.464 1.376 20 0 EDADLP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000662665088 453378343 /nfs/dbraw/zinc/37/83/43/453378343.db2.gz CXXQCUBGZCPLJM-CTYIDZIISA-N 2 2 337.851 1.600 20 0 EDADLP CO[C@H](C)c1nsc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000667110504 453409948 /nfs/dbraw/zinc/40/99/48/453409948.db2.gz FRBZPDJIFWSFHZ-LLVKDONJSA-N 2 2 344.485 1.251 20 0 EDADLP C[C@@H](Oc1ccccn1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934518 453412397 /nfs/dbraw/zinc/41/23/97/453412397.db2.gz SIZWHDMWVHSJDE-NVXWUHKLSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@@H](Oc1ccccn1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934518 453412401 /nfs/dbraw/zinc/41/24/01/453412401.db2.gz SIZWHDMWVHSJDE-NVXWUHKLSA-N 2 2 346.475 1.476 20 0 EDADLP O=C(C[C@H]1[NH2+]Cc2ccccc21)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662705016 453428909 /nfs/dbraw/zinc/42/89/09/453428909.db2.gz NADCMKMFXXLXIM-LJQANCHMSA-N 2 2 343.471 1.792 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660658216 453496799 /nfs/dbraw/zinc/49/67/99/453496799.db2.gz WXZKRCUOJXGKHC-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660658216 453496804 /nfs/dbraw/zinc/49/68/04/453496804.db2.gz WXZKRCUOJXGKHC-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660658216 453496811 /nfs/dbraw/zinc/49/68/11/453496811.db2.gz WXZKRCUOJXGKHC-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660658216 453496815 /nfs/dbraw/zinc/49/68/15/453496815.db2.gz WXZKRCUOJXGKHC-HXUWFJFHSA-N 2 2 345.487 1.867 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCCC[NH+]2CCCC2)[C@@H](C)CO1 ZINC000664964812 453521344 /nfs/dbraw/zinc/52/13/44/453521344.db2.gz HHVVOQONNGNNET-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCCC[NH+]2CCCC2)[C@@H](C)CO1 ZINC000664964812 453521345 /nfs/dbraw/zinc/52/13/45/453521345.db2.gz HHVVOQONNGNNET-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])ccc2n1C1CC1 ZINC000662810816 453544324 /nfs/dbraw/zinc/54/43/24/453544324.db2.gz DLMDLFXBOPAXMD-WMLDXEAASA-N 2 2 342.443 1.914 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c2[nH+]ccn21 ZINC000665047737 453553528 /nfs/dbraw/zinc/55/35/28/453553528.db2.gz OJWLJKSGHXOWTF-RBSFLKMASA-N 2 2 335.452 1.641 20 0 EDADLP COCC1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665146390 453589382 /nfs/dbraw/zinc/58/93/82/453589382.db2.gz WWXFMKFOZBWTCA-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP COCC1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665146390 453589385 /nfs/dbraw/zinc/58/93/85/453589385.db2.gz WWXFMKFOZBWTCA-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659034743 453591607 /nfs/dbraw/zinc/59/16/07/453591607.db2.gz PRRXZWVWQMVCJR-YOEHRIQHSA-N 2 2 348.447 1.190 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659034743 453591608 /nfs/dbraw/zinc/59/16/08/453591608.db2.gz PRRXZWVWQMVCJR-YOEHRIQHSA-N 2 2 348.447 1.190 20 0 EDADLP COCC[NH+]1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659034848 453591948 /nfs/dbraw/zinc/59/19/48/453591948.db2.gz RCXFAPMULYRLRZ-QGZVFWFLSA-N 2 2 348.447 1.143 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899818 453594288 /nfs/dbraw/zinc/59/42/88/453594288.db2.gz HDXOLMGCNSZIAR-PKOBYXMFSA-N 3 2 344.503 1.622 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899818 453594292 /nfs/dbraw/zinc/59/42/92/453594292.db2.gz HDXOLMGCNSZIAR-PKOBYXMFSA-N 3 2 344.503 1.622 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000659051823 453600515 /nfs/dbraw/zinc/60/05/15/453600515.db2.gz REOSAFIPNUYXJB-GXTWGEPZSA-N 2 2 340.374 1.580 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000660849648 453608161 /nfs/dbraw/zinc/60/81/61/453608161.db2.gz PBBWQPULRVGVEN-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000660849648 453608162 /nfs/dbraw/zinc/60/81/62/453608162.db2.gz PBBWQPULRVGVEN-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000660849648 453608163 /nfs/dbraw/zinc/60/81/63/453608163.db2.gz PBBWQPULRVGVEN-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000660849648 453608164 /nfs/dbraw/zinc/60/81/64/453608164.db2.gz PBBWQPULRVGVEN-AWEZNQCLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660857029 453615089 /nfs/dbraw/zinc/61/50/89/453615089.db2.gz DJHFZTQFZHLUNN-QGZVFWFLSA-N 2 2 338.496 1.225 20 0 EDADLP CN(C)C(=O)c1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000665233222 453617739 /nfs/dbraw/zinc/61/77/39/453617739.db2.gz BULZGOSYTWOKJM-UHFFFAOYSA-N 2 2 349.479 1.393 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCc4ccccc4O3)C2)CC1 ZINC000665295191 453640314 /nfs/dbraw/zinc/64/03/14/453640314.db2.gz ZVSVGHSVTGKEFR-LPHOPBHVSA-N 2 2 343.471 1.665 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCc4ccccc4O3)C2)CC1 ZINC000665295191 453640318 /nfs/dbraw/zinc/64/03/18/453640318.db2.gz ZVSVGHSVTGKEFR-LPHOPBHVSA-N 2 2 343.471 1.665 20 0 EDADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CN(Cc3ccccc3)CCO1)CCC2 ZINC000657292639 453758226 /nfs/dbraw/zinc/75/82/26/453758226.db2.gz OREJIQCGRUBDBQ-GOSISDBHSA-N 2 2 326.444 1.820 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000665617438 453768561 /nfs/dbraw/zinc/76/85/61/453768561.db2.gz JNQNGYIEFSJGLG-HNNXBMFYSA-N 2 2 331.464 1.775 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000663371974 453781855 /nfs/dbraw/zinc/78/18/55/453781855.db2.gz CXLKUXQCTMYWIX-LSDHHAIUSA-N 2 2 331.382 1.315 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000663371974 453781857 /nfs/dbraw/zinc/78/18/57/453781857.db2.gz CXLKUXQCTMYWIX-LSDHHAIUSA-N 2 2 331.382 1.315 20 0 EDADLP CC[NH+](CC)CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663402706 453790169 /nfs/dbraw/zinc/79/01/69/453790169.db2.gz PTZIWJAHHRGMLU-UHFFFAOYSA-N 2 2 326.485 1.082 20 0 EDADLP C([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1nc2c(s1)C[NH2+]CC2 ZINC000663497263 453810571 /nfs/dbraw/zinc/81/05/71/453810571.db2.gz MKKDBPRGKJLQFC-UHFFFAOYSA-N 3 2 335.521 1.095 20 0 EDADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000663514132 453813860 /nfs/dbraw/zinc/81/38/60/453813860.db2.gz NLMHRAHGNMISSC-GFCCVEGCSA-N 2 2 342.281 1.983 20 0 EDADLP C[NH+]1CCN(c2ccc(NC[C@H]3CNc4ccnn4C3)[nH+]c2)CC1 ZINC000676198953 486688222 /nfs/dbraw/zinc/68/82/22/486688222.db2.gz JXCKJJGSJVRLIZ-AWEZNQCLSA-N 2 2 327.436 1.184 20 0 EDADLP CNc1[nH+]cnc2c1cnn2C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000683437441 486718471 /nfs/dbraw/zinc/71/84/71/486718471.db2.gz KCADWMJKCGNADK-CQSZACIVSA-N 2 2 326.404 1.361 20 0 EDADLP CNc1[nH+]cnc2c1cnn2C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000683437441 486718472 /nfs/dbraw/zinc/71/84/72/486718472.db2.gz KCADWMJKCGNADK-CQSZACIVSA-N 2 2 326.404 1.361 20 0 EDADLP c1cn([C@H]2CCC[N@@H+](Cc3nnnn3CC3CCOCC3)C2)c[nH+]1 ZINC000683519282 486742896 /nfs/dbraw/zinc/74/28/96/486742896.db2.gz OBSXQSKTWIBVSM-HNNXBMFYSA-N 2 2 331.424 1.133 20 0 EDADLP c1cn([C@H]2CCC[N@H+](Cc3nnnn3CC3CCOCC3)C2)c[nH+]1 ZINC000683519282 486742902 /nfs/dbraw/zinc/74/29/02/486742902.db2.gz OBSXQSKTWIBVSM-HNNXBMFYSA-N 2 2 331.424 1.133 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000676402134 486757054 /nfs/dbraw/zinc/75/70/54/486757054.db2.gz MKERRRWJLUYAQV-UHOSZYNNSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000676402134 486757057 /nfs/dbraw/zinc/75/70/57/486757057.db2.gz MKERRRWJLUYAQV-UHOSZYNNSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676402134 486757060 /nfs/dbraw/zinc/75/70/60/486757060.db2.gz MKERRRWJLUYAQV-UHOSZYNNSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676402134 486757063 /nfs/dbraw/zinc/75/70/63/486757063.db2.gz MKERRRWJLUYAQV-UHOSZYNNSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000672696381 486767298 /nfs/dbraw/zinc/76/72/98/486767298.db2.gz WPGMNYRJOIXDMW-HNNXBMFYSA-N 2 2 347.463 1.106 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000672696381 486767304 /nfs/dbraw/zinc/76/73/04/486767304.db2.gz WPGMNYRJOIXDMW-HNNXBMFYSA-N 2 2 347.463 1.106 20 0 EDADLP C[NH2+]CCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417167956 486794462 /nfs/dbraw/zinc/79/44/62/486794462.db2.gz ACYBOKSWIOTWGO-KRWDZBQOSA-N 2 2 334.464 1.229 20 0 EDADLP CCCc1nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000680580346 486818173 /nfs/dbraw/zinc/81/81/73/486818173.db2.gz ZNORXBUGRRNOQL-HNNXBMFYSA-N 2 2 334.464 1.868 20 0 EDADLP CCCc1nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000680580346 486818177 /nfs/dbraw/zinc/81/81/77/486818177.db2.gz ZNORXBUGRRNOQL-HNNXBMFYSA-N 2 2 334.464 1.868 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC(C(F)(F)F)C3)C2)CC1 ZINC000672874757 486826988 /nfs/dbraw/zinc/82/69/88/486826988.db2.gz FTGIWDLVNXUFGI-CPCZMJQVSA-N 2 2 348.413 1.795 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC(C(F)(F)F)C3)C2)CC1 ZINC000672874757 486826991 /nfs/dbraw/zinc/82/69/91/486826991.db2.gz FTGIWDLVNXUFGI-CPCZMJQVSA-N 2 2 348.413 1.795 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000672889236 486832364 /nfs/dbraw/zinc/83/23/64/486832364.db2.gz MKNVSGTWWSZCHZ-DLBZAZTESA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000672889236 486832366 /nfs/dbraw/zinc/83/23/66/486832366.db2.gz MKNVSGTWWSZCHZ-DLBZAZTESA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000672889236 486832368 /nfs/dbraw/zinc/83/23/68/486832368.db2.gz MKNVSGTWWSZCHZ-DLBZAZTESA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000672889236 486832371 /nfs/dbraw/zinc/83/23/71/486832371.db2.gz MKNVSGTWWSZCHZ-DLBZAZTESA-N 3 2 336.524 1.536 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000676732993 486856842 /nfs/dbraw/zinc/85/68/42/486856842.db2.gz KMZKUEZNGUAZAX-ZWKOTPCHSA-N 2 2 342.443 1.688 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000676732993 486856846 /nfs/dbraw/zinc/85/68/46/486856846.db2.gz KMZKUEZNGUAZAX-ZWKOTPCHSA-N 2 2 342.443 1.688 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)c4cccn43)C2)CC1 ZINC000684049288 486926596 /nfs/dbraw/zinc/92/65/96/486926596.db2.gz VJGAZMFDNVTEEH-YOEHRIQHSA-N 2 2 344.459 1.290 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCC(=O)c4cccn43)C2)CC1 ZINC000684049288 486926601 /nfs/dbraw/zinc/92/66/01/486926601.db2.gz VJGAZMFDNVTEEH-YOEHRIQHSA-N 2 2 344.459 1.290 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000681216588 486976207 /nfs/dbraw/zinc/97/62/07/486976207.db2.gz HTEWRIWCXYETKI-KRWDZBQOSA-N 2 2 345.491 1.783 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3c(c2)CCOC3)CC1 ZINC000667846339 486991046 /nfs/dbraw/zinc/99/10/46/486991046.db2.gz PRJNITZKDRBBII-UHFFFAOYSA-N 2 2 346.475 1.907 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCn2c(C)[nH+]c3ccccc32)C1 ZINC000681262330 486994655 /nfs/dbraw/zinc/99/46/55/486994655.db2.gz LVEVATQXOXPZMI-MRXNPFEDSA-N 2 2 344.459 1.962 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCn2c(C)[nH+]c3ccccc32)C1 ZINC000681262330 486994661 /nfs/dbraw/zinc/99/46/61/486994661.db2.gz LVEVATQXOXPZMI-MRXNPFEDSA-N 2 2 344.459 1.962 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@H]1C ZINC000677182828 487000432 /nfs/dbraw/zinc/00/04/32/487000432.db2.gz LYJVWADVTRDCIN-MRXNPFEDSA-N 2 2 331.460 1.685 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@H]1C ZINC000677182828 487000437 /nfs/dbraw/zinc/00/04/37/487000437.db2.gz LYJVWADVTRDCIN-MRXNPFEDSA-N 2 2 331.460 1.685 20 0 EDADLP CN(C(=O)c1coc(C2CC2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681634464 487116301 /nfs/dbraw/zinc/11/63/01/487116301.db2.gz DJXRLLYNGFIGPX-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[NH+](C4CC4)CC3)[nH+]c12 ZINC000673781116 487112913 /nfs/dbraw/zinc/11/29/13/487112913.db2.gz LXQDPDJCKORCOR-UHFFFAOYSA-N 2 2 327.432 1.675 20 0 EDADLP CN1CC[NH+](CC2CC[NH+](Cc3cn(C4CCC4)nn3)CC2)CC1 ZINC000668159407 487124410 /nfs/dbraw/zinc/12/44/10/487124410.db2.gz VMDLQQIVYBOQQC-UHFFFAOYSA-N 2 2 332.496 1.463 20 0 EDADLP CN(C(=O)c1coc(C2CC2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681634464 487116305 /nfs/dbraw/zinc/11/63/05/487116305.db2.gz DJXRLLYNGFIGPX-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000684954588 487200485 /nfs/dbraw/zinc/20/04/85/487200485.db2.gz AKVRLHGEXYQNDH-SJORKVTESA-N 2 2 330.476 1.991 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)[C@H](C)[NH+](C)C)c2[nH+]ccn2C)c1 ZINC000674244999 487221706 /nfs/dbraw/zinc/22/17/06/487221706.db2.gz WYGPWOLJNNEIAH-LRDDRELGSA-N 2 2 346.431 1.593 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000685412785 487270402 /nfs/dbraw/zinc/27/04/02/487270402.db2.gz WZBYZCRVYIPUQY-OALUTQOASA-N 2 2 348.487 1.921 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000685412785 487270406 /nfs/dbraw/zinc/27/04/06/487270406.db2.gz WZBYZCRVYIPUQY-OALUTQOASA-N 2 2 348.487 1.921 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561277 487296600 /nfs/dbraw/zinc/29/66/00/487296600.db2.gz CEHJVORSRYZRCQ-RDJZCZTQSA-N 2 2 347.507 1.639 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561277 487296604 /nfs/dbraw/zinc/29/66/04/487296604.db2.gz CEHJVORSRYZRCQ-RDJZCZTQSA-N 2 2 347.507 1.639 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561277 487296607 /nfs/dbraw/zinc/29/66/07/487296607.db2.gz CEHJVORSRYZRCQ-RDJZCZTQSA-N 2 2 347.507 1.639 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561277 487296610 /nfs/dbraw/zinc/29/66/10/487296610.db2.gz CEHJVORSRYZRCQ-RDJZCZTQSA-N 2 2 347.507 1.639 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c2cc(F)ccc21 ZINC000685662167 487310434 /nfs/dbraw/zinc/31/04/34/487310434.db2.gz RKQPRGVUGRHPNR-DGCLKSJQSA-N 2 2 335.404 1.914 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c2cc(F)ccc21 ZINC000685662167 487310439 /nfs/dbraw/zinc/31/04/39/487310439.db2.gz RKQPRGVUGRHPNR-DGCLKSJQSA-N 2 2 335.404 1.914 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000678885459 487375474 /nfs/dbraw/zinc/37/54/74/487375474.db2.gz CNOXGFVORNKLMS-DOTOQJQBSA-N 2 2 339.505 1.378 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000678885459 487375476 /nfs/dbraw/zinc/37/54/76/487375476.db2.gz CNOXGFVORNKLMS-DOTOQJQBSA-N 2 2 339.505 1.378 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000679294691 487410339 /nfs/dbraw/zinc/41/03/39/487410339.db2.gz HQHWZSZIZQXQQU-DOTOQJQBSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000679294691 487410340 /nfs/dbraw/zinc/41/03/40/487410340.db2.gz HQHWZSZIZQXQQU-DOTOQJQBSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC=CCC1 ZINC000679322057 487414621 /nfs/dbraw/zinc/41/46/21/487414621.db2.gz TXXYDUUEFHZMQG-KRWDZBQOSA-N 2 2 343.471 1.785 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC=CCC1 ZINC000679322057 487414624 /nfs/dbraw/zinc/41/46/24/487414624.db2.gz TXXYDUUEFHZMQG-KRWDZBQOSA-N 2 2 343.471 1.785 20 0 EDADLP Cc1ccc(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)nc1 ZINC000682787781 487415093 /nfs/dbraw/zinc/41/50/93/487415093.db2.gz LZDLUNWEJWCVQS-UHFFFAOYSA-N 2 2 326.448 1.564 20 0 EDADLP Cc1ccc(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)nc1 ZINC000682787781 487415096 /nfs/dbraw/zinc/41/50/96/487415096.db2.gz LZDLUNWEJWCVQS-UHFFFAOYSA-N 2 2 326.448 1.564 20 0 EDADLP c1cn(-c2cc(N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)ncn2)c[nH+]1 ZINC000675636544 487430904 /nfs/dbraw/zinc/43/09/04/487430904.db2.gz ZFTMNEXEUOAZTL-GJZGRUSLSA-N 2 2 328.420 1.718 20 0 EDADLP Cc1c([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000675782701 487443458 /nfs/dbraw/zinc/44/34/58/487443458.db2.gz WWHPDEDQWDWLOK-CQSZACIVSA-N 2 2 342.447 1.000 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000669517069 485481764 /nfs/dbraw/zinc/48/17/64/485481764.db2.gz ZFEUPEWGFLBLBZ-AVGNSLFASA-N 2 2 336.402 1.639 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000669517069 485481773 /nfs/dbraw/zinc/48/17/73/485481773.db2.gz ZFEUPEWGFLBLBZ-AVGNSLFASA-N 2 2 336.402 1.639 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000669543290 485529747 /nfs/dbraw/zinc/52/97/47/485529747.db2.gz WAIJWBPTDWDAGG-HNNXBMFYSA-N 2 2 340.855 1.141 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000669543290 485529752 /nfs/dbraw/zinc/52/97/52/485529752.db2.gz WAIJWBPTDWDAGG-HNNXBMFYSA-N 2 2 340.855 1.141 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)[NH+]1CCOCC1 ZINC000672147049 485857947 /nfs/dbraw/zinc/85/79/47/485857947.db2.gz GHTFFHBFNDPXCE-RDJZCZTQSA-N 2 2 334.464 1.451 20 0 EDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000668608532 485943204 /nfs/dbraw/zinc/94/32/04/485943204.db2.gz RFJFTMJRUCPIBQ-KZNAEPCWSA-N 2 2 346.475 1.314 20 0 EDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000668608532 485943211 /nfs/dbraw/zinc/94/32/11/485943211.db2.gz RFJFTMJRUCPIBQ-KZNAEPCWSA-N 2 2 346.475 1.314 20 0 EDADLP CCc1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000668618950 485960543 /nfs/dbraw/zinc/96/05/43/485960543.db2.gz WKFXOHROXPOLKQ-IBGZPJMESA-N 2 2 344.503 1.813 20 0 EDADLP CCc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000668618950 485960548 /nfs/dbraw/zinc/96/05/48/485960548.db2.gz WKFXOHROXPOLKQ-IBGZPJMESA-N 2 2 344.503 1.813 20 0 EDADLP Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668639221 485981642 /nfs/dbraw/zinc/98/16/42/485981642.db2.gz GEEKVTYOTRJZTO-CQSZACIVSA-N 2 2 331.464 1.196 20 0 EDADLP Cn1ncc(C2CC2)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668639221 485981651 /nfs/dbraw/zinc/98/16/51/485981651.db2.gz GEEKVTYOTRJZTO-CQSZACIVSA-N 2 2 331.464 1.196 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)CCOC4)C2)CC1 ZINC000668639566 485982974 /nfs/dbraw/zinc/98/29/74/485982974.db2.gz JVBLEPFKNMIVML-SFHVURJKSA-N 2 2 343.471 1.658 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)CCOC4)C2)CC1 ZINC000668639566 485982977 /nfs/dbraw/zinc/98/29/77/485982977.db2.gz JVBLEPFKNMIVML-SFHVURJKSA-N 2 2 343.471 1.658 20 0 EDADLP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237966109 486020203 /nfs/dbraw/zinc/02/02/03/486020203.db2.gz LSQCMNURPPLLLC-MAUKXSAKSA-N 2 2 329.444 1.054 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2sc1=O ZINC000668739636 486112124 /nfs/dbraw/zinc/11/21/24/486112124.db2.gz NXDGOVPTZLEHDE-HNNXBMFYSA-N 2 2 347.484 1.631 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)cc2sc1=O ZINC000668739636 486112128 /nfs/dbraw/zinc/11/21/28/486112128.db2.gz NXDGOVPTZLEHDE-HNNXBMFYSA-N 2 2 347.484 1.631 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1CCC[NH2+]CC1 ZINC000669413055 486117002 /nfs/dbraw/zinc/11/70/02/486117002.db2.gz CZACNSUPLBINIH-AWEZNQCLSA-N 2 2 331.395 1.953 20 0 EDADLP O=C(NCC[NH2+]C1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000668745322 486119219 /nfs/dbraw/zinc/11/92/19/486119219.db2.gz LPICGVBAWRJYIE-UHFFFAOYSA-N 2 2 332.448 1.070 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668776930 486184050 /nfs/dbraw/zinc/18/40/50/486184050.db2.gz OKQXMGXQSAYGIW-HNNXBMFYSA-N 2 2 339.443 1.690 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668776930 486184056 /nfs/dbraw/zinc/18/40/56/486184056.db2.gz OKQXMGXQSAYGIW-HNNXBMFYSA-N 2 2 339.443 1.690 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC/C=C/C[NH3+])c1ccc(Cl)cc1 ZINC000668852892 486260960 /nfs/dbraw/zinc/26/09/60/486260960.db2.gz JZTHCKGNJJAEIT-HSWBROFVSA-N 2 2 333.823 1.977 20 0 EDADLP Cn1cc(-c2ccc(C[NH2+]CC(=O)N3CC[NH+](C)CC3)s2)cn1 ZINC000669829623 486468414 /nfs/dbraw/zinc/46/84/14/486468414.db2.gz XSKDPGDZSXKLLV-UHFFFAOYSA-N 2 2 333.461 1.012 20 0 EDADLP CC[NH+]1CCN(c2nc(C)c(F)c(N3CC[NH+](CC)CC3)n2)CC1 ZINC000679389609 486538823 /nfs/dbraw/zinc/53/88/23/486538823.db2.gz ABMFOIZMDLLSFY-UHFFFAOYSA-N 2 2 336.459 1.208 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000133940412 491223348 /nfs/dbraw/zinc/22/33/48/491223348.db2.gz OPLPDDMEJWHCLI-WBVHZDCISA-N 2 2 334.464 1.137 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000133940412 491223350 /nfs/dbraw/zinc/22/33/50/491223350.db2.gz OPLPDDMEJWHCLI-WBVHZDCISA-N 2 2 334.464 1.137 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133940412 491223353 /nfs/dbraw/zinc/22/33/53/491223353.db2.gz OPLPDDMEJWHCLI-WBVHZDCISA-N 2 2 334.464 1.137 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133940412 491223356 /nfs/dbraw/zinc/22/33/56/491223356.db2.gz OPLPDDMEJWHCLI-WBVHZDCISA-N 2 2 334.464 1.137 20 0 EDADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191840371 500878887 /nfs/dbraw/zinc/87/88/87/500878887.db2.gz IIURMSROYCTYRN-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191840371 500878890 /nfs/dbraw/zinc/87/88/90/500878890.db2.gz IIURMSROYCTYRN-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000155161829 533960302 /nfs/dbraw/zinc/96/03/02/533960302.db2.gz CORGULYNCKEVMA-GJZGRUSLSA-N 2 2 338.452 1.150 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000183766899 534109601 /nfs/dbraw/zinc/10/96/01/534109601.db2.gz JJPDSWJMBWDAEV-UHFFFAOYSA-N 2 2 326.400 1.894 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CCCCC1 ZINC000167970951 534529444 /nfs/dbraw/zinc/52/94/44/534529444.db2.gz DUDOPOJPXAWJTD-QGZVFWFLSA-N 2 2 331.460 1.526 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000177847465 527809155 /nfs/dbraw/zinc/80/91/55/527809155.db2.gz JXINUDWYMIJVPV-HNNXBMFYSA-N 2 2 329.448 1.860 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000177847465 527809158 /nfs/dbraw/zinc/80/91/58/527809158.db2.gz JXINUDWYMIJVPV-HNNXBMFYSA-N 2 2 329.448 1.860 20 0 EDADLP CC1CC[NH+](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000159132259 528244560 /nfs/dbraw/zinc/24/45/60/528244560.db2.gz YRHTYRYRAQQESP-UHFFFAOYSA-N 2 2 345.491 1.641 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[NH+]1CCOCC1 ZINC000173709663 528843448 /nfs/dbraw/zinc/84/34/48/528843448.db2.gz YWMROVFWWATSHF-NVXWUHKLSA-N 2 2 327.513 1.970 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000332960891 534939140 /nfs/dbraw/zinc/93/91/40/534939140.db2.gz RXUVCBBDEQMUCN-JKSUJKDBSA-N 2 2 348.495 1.150 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000332960891 534939147 /nfs/dbraw/zinc/93/91/47/534939147.db2.gz RXUVCBBDEQMUCN-JKSUJKDBSA-N 2 2 348.495 1.150 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1)[NH+]1CCOCC1 ZINC000056308854 535101748 /nfs/dbraw/zinc/10/17/48/535101748.db2.gz OHDOWNWWYFDNHG-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1C1CCCC1)[NH+]1CCOCC1 ZINC000056308854 535101760 /nfs/dbraw/zinc/10/17/60/535101760.db2.gz OHDOWNWWYFDNHG-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[NH+]1CCOCC1 ZINC000345508239 535144170 /nfs/dbraw/zinc/14/41/70/535144170.db2.gz UANAMNMUPDJGQC-KGLIPLIRSA-N 2 2 333.423 1.237 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261605348 535296589 /nfs/dbraw/zinc/29/65/89/535296589.db2.gz RIIJRBMVEKQWFU-ZWKOTPCHSA-N 2 2 345.487 1.782 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261605348 535296594 /nfs/dbraw/zinc/29/65/94/535296594.db2.gz RIIJRBMVEKQWFU-ZWKOTPCHSA-N 2 2 345.487 1.782 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000236631422 535311597 /nfs/dbraw/zinc/31/15/97/535311597.db2.gz QMXTXMAGKNEPEL-MJGOQNOKSA-N 2 2 333.476 1.724 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261607566 535477375 /nfs/dbraw/zinc/47/73/75/535477375.db2.gz AUQMNZPXIMRHLX-IBGZPJMESA-N 2 2 346.475 1.778 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261607566 535477380 /nfs/dbraw/zinc/47/73/80/535477380.db2.gz AUQMNZPXIMRHLX-IBGZPJMESA-N 2 2 346.475 1.778 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354362922 535626420 /nfs/dbraw/zinc/62/64/20/535626420.db2.gz PMKJOVYOQKUCBA-BZUAXINKSA-N 2 2 348.495 1.671 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(F)(c3ccccn3)CC2)CC1 ZINC000347696543 535635076 /nfs/dbraw/zinc/63/50/76/535635076.db2.gz BTNOGGBTYPYUIS-INIZCTEOSA-N 2 2 348.466 1.895 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000249864035 535638691 /nfs/dbraw/zinc/63/86/91/535638691.db2.gz HGZRXDRFXCBFSR-IRXDYDNUSA-N 3 2 345.491 1.368 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000249864035 535638697 /nfs/dbraw/zinc/63/86/97/535638697.db2.gz HGZRXDRFXCBFSR-IRXDYDNUSA-N 3 2 345.491 1.368 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000249864035 535638699 /nfs/dbraw/zinc/63/86/99/535638699.db2.gz HGZRXDRFXCBFSR-IRXDYDNUSA-N 2 2 345.491 1.368 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000249864035 535638700 /nfs/dbraw/zinc/63/87/00/535638700.db2.gz HGZRXDRFXCBFSR-IRXDYDNUSA-N 2 2 345.491 1.368 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000342264161 535667678 /nfs/dbraw/zinc/66/76/78/535667678.db2.gz KNFODNZUKGJXNJ-HUUCEWRRSA-N 2 2 349.479 1.032 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236951680 535714978 /nfs/dbraw/zinc/71/49/78/535714978.db2.gz PJJVJMZWXYCUCZ-APWZRJJASA-N 2 2 344.503 1.091 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236951680 535714986 /nfs/dbraw/zinc/71/49/86/535714986.db2.gz PJJVJMZWXYCUCZ-APWZRJJASA-N 2 2 344.503 1.091 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000346147992 535729163 /nfs/dbraw/zinc/72/91/63/535729163.db2.gz KFJPWUVGTDDYJS-PKOBYXMFSA-N 2 2 344.503 1.403 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000346147992 535729166 /nfs/dbraw/zinc/72/91/66/535729166.db2.gz KFJPWUVGTDDYJS-PKOBYXMFSA-N 2 2 344.503 1.403 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000271709932 535752871 /nfs/dbraw/zinc/75/28/71/535752871.db2.gz XMTQJCZSHKVESM-CQSZACIVSA-N 2 2 343.431 1.381 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000271709932 535752878 /nfs/dbraw/zinc/75/28/78/535752878.db2.gz XMTQJCZSHKVESM-CQSZACIVSA-N 2 2 343.431 1.381 20 0 EDADLP C[NH+](C)Cc1cnc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000347778889 536054820 /nfs/dbraw/zinc/05/48/20/536054820.db2.gz JWAROLWQFNJPNB-HNNXBMFYSA-N 2 2 338.521 1.749 20 0 EDADLP CN(C(=O)[C@H]1CCCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245632348 536064150 /nfs/dbraw/zinc/06/41/50/536064150.db2.gz DWBNSOXBUPVEON-FGTMMUONSA-N 2 2 337.508 1.961 20 0 EDADLP CN(C(=O)[C@H]1CCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245632348 536064156 /nfs/dbraw/zinc/06/41/56/536064156.db2.gz DWBNSOXBUPVEON-FGTMMUONSA-N 2 2 337.508 1.961 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000333599713 536121142 /nfs/dbraw/zinc/12/11/42/536121142.db2.gz QHHBRGRSLIBFBF-ZWKOTPCHSA-N 2 2 346.475 1.951 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000339425948 536381441 /nfs/dbraw/zinc/38/14/41/536381441.db2.gz IFVILBWSHHIAKW-FXAWDEMLSA-N 2 2 343.471 1.524 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000339425948 536381444 /nfs/dbraw/zinc/38/14/44/536381444.db2.gz IFVILBWSHHIAKW-FXAWDEMLSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000339425948 536381447 /nfs/dbraw/zinc/38/14/47/536381447.db2.gz IFVILBWSHHIAKW-FXAWDEMLSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000339425948 536381451 /nfs/dbraw/zinc/38/14/51/536381451.db2.gz IFVILBWSHHIAKW-FXAWDEMLSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH2+][C@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cnn(C)c1 ZINC000262362606 536384548 /nfs/dbraw/zinc/38/45/48/536384548.db2.gz KQTGWNXHPQTLQB-KRWDZBQOSA-N 2 2 338.415 1.242 20 0 EDADLP COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000271719622 536796976 /nfs/dbraw/zinc/79/69/76/536796976.db2.gz RBXQWNKCYIKYRS-INIZCTEOSA-N 2 2 347.415 1.432 20 0 EDADLP COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000271719622 536796981 /nfs/dbraw/zinc/79/69/81/536796981.db2.gz RBXQWNKCYIKYRS-INIZCTEOSA-N 2 2 347.415 1.432 20 0 EDADLP COCC1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[NH2+]CC1 ZINC000261721822 536812955 /nfs/dbraw/zinc/81/29/55/536812955.db2.gz QSFGCBVBHIWINQ-UHFFFAOYSA-N 2 2 330.432 1.477 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)OCCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000741145217 579398886 /nfs/dbraw/zinc/39/88/86/579398886.db2.gz PPGMVNWBGPGZMY-GJZGRUSLSA-N 2 2 326.437 1.432 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)OCCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000741145217 579398887 /nfs/dbraw/zinc/39/88/87/579398887.db2.gz PPGMVNWBGPGZMY-GJZGRUSLSA-N 2 2 326.437 1.432 20 0 EDADLP O=C1OCCN1c1cccc2c1CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000743857767 579492608 /nfs/dbraw/zinc/49/26/08/579492608.db2.gz NDDWJKPTMKSOSE-INIZCTEOSA-N 2 2 345.443 1.458 20 0 EDADLP O=C1OCCN1c1cccc2c1CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000743857767 579492610 /nfs/dbraw/zinc/49/26/10/579492610.db2.gz NDDWJKPTMKSOSE-INIZCTEOSA-N 2 2 345.443 1.458 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000726254591 578338435 /nfs/dbraw/zinc/33/84/35/578338435.db2.gz HAKOMAXOCKSIJM-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000726254591 578338436 /nfs/dbraw/zinc/33/84/36/578338436.db2.gz HAKOMAXOCKSIJM-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000726254591 578338437 /nfs/dbraw/zinc/33/84/37/578338437.db2.gz HAKOMAXOCKSIJM-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000726254591 578338438 /nfs/dbraw/zinc/33/84/38/578338438.db2.gz HAKOMAXOCKSIJM-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000726256338 578339086 /nfs/dbraw/zinc/33/90/86/578339086.db2.gz ODPFJQWZENHUGS-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000726256338 578339087 /nfs/dbraw/zinc/33/90/87/578339087.db2.gz ODPFJQWZENHUGS-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000726256338 578339088 /nfs/dbraw/zinc/33/90/88/578339088.db2.gz ODPFJQWZENHUGS-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000726256338 578339089 /nfs/dbraw/zinc/33/90/89/578339089.db2.gz ODPFJQWZENHUGS-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000726256871 578339401 /nfs/dbraw/zinc/33/94/01/578339401.db2.gz QINNMZRQJKNVON-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000726256871 578339402 /nfs/dbraw/zinc/33/94/02/578339402.db2.gz QINNMZRQJKNVON-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)CCO1 ZINC000726256871 578339403 /nfs/dbraw/zinc/33/94/03/578339403.db2.gz QINNMZRQJKNVON-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)CCO1 ZINC000726256871 578339404 /nfs/dbraw/zinc/33/94/04/578339404.db2.gz QINNMZRQJKNVON-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C(C)C ZINC000726709545 578355573 /nfs/dbraw/zinc/35/55/73/578355573.db2.gz OPEDZOIRWYUKKN-UHFFFAOYSA-N 2 2 330.436 1.797 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C(C)C ZINC000726709545 578355574 /nfs/dbraw/zinc/35/55/74/578355574.db2.gz OPEDZOIRWYUKKN-UHFFFAOYSA-N 2 2 330.436 1.797 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cn2c1 ZINC000729500961 578578499 /nfs/dbraw/zinc/57/84/99/578578499.db2.gz CVLUMBJFVLQLKP-HZPDHXFCSA-N 2 2 343.431 1.305 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cn2c1 ZINC000729500961 578578501 /nfs/dbraw/zinc/57/85/01/578578501.db2.gz CVLUMBJFVLQLKP-HZPDHXFCSA-N 2 2 343.431 1.305 20 0 EDADLP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000729681484 578587246 /nfs/dbraw/zinc/58/72/46/578587246.db2.gz DPARZMSTPDJPFZ-ZBFHGGJFSA-N 2 2 349.475 1.735 20 0 EDADLP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000729681484 578587248 /nfs/dbraw/zinc/58/72/48/578587248.db2.gz DPARZMSTPDJPFZ-ZBFHGGJFSA-N 2 2 349.475 1.735 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@@H](O)c2ccccc2F)nc[nH+]1 ZINC000729920246 578599448 /nfs/dbraw/zinc/59/94/48/578599448.db2.gz LNEPYXSAGCSHRQ-CZUORRHYSA-N 2 2 345.422 1.949 20 0 EDADLP O=C1NC(C2CC2)(C2CC2)C(=O)N1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738159899 579166315 /nfs/dbraw/zinc/16/63/15/579166315.db2.gz UNAFZOQEJHBLJS-OAHLLOKOSA-N 2 2 343.431 1.588 20 0 EDADLP O=C1NC(C2CC2)(C2CC2)C(=O)N1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738159899 579166316 /nfs/dbraw/zinc/16/63/16/579166316.db2.gz UNAFZOQEJHBLJS-OAHLLOKOSA-N 2 2 343.431 1.588 20 0 EDADLP CC(C)C[C@H]1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761305339 580054516 /nfs/dbraw/zinc/05/45/16/580054516.db2.gz TUKSLMVGHOEDKM-CVEARBPZSA-N 2 2 336.480 1.464 20 0 EDADLP CC(C)C[C@H]1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761305339 580054517 /nfs/dbraw/zinc/05/45/17/580054517.db2.gz TUKSLMVGHOEDKM-CVEARBPZSA-N 2 2 336.480 1.464 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000744452661 579511211 /nfs/dbraw/zinc/51/12/11/579511211.db2.gz NRVOCFUBJZCOMA-HNNXBMFYSA-N 2 2 347.463 1.059 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1C ZINC000745787461 579562484 /nfs/dbraw/zinc/56/24/84/579562484.db2.gz WRDFOFYJCYXWRL-HNNXBMFYSA-N 2 2 330.432 1.863 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc4cncn43)CC2)CC1 ZINC000746187019 579575438 /nfs/dbraw/zinc/57/54/38/579575438.db2.gz WODPJVMEALMSFT-UHFFFAOYSA-N 2 2 347.488 1.684 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(O)cc1 ZINC000749535653 579729831 /nfs/dbraw/zinc/72/98/31/579729831.db2.gz SQAAYMAYJKJGSA-PVAVHDDUSA-N 2 2 333.432 1.514 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(O)cc1 ZINC000749535653 579729833 /nfs/dbraw/zinc/72/98/33/579729833.db2.gz SQAAYMAYJKJGSA-PVAVHDDUSA-N 2 2 333.432 1.514 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=S)NC[C@@H]3CCOC3)CC2)CC1 ZINC000749686617 579735100 /nfs/dbraw/zinc/73/51/00/579735100.db2.gz MOTYJJGVORTECX-AWEZNQCLSA-N 2 2 340.537 1.046 20 0 EDADLP NS(=O)(=O)c1ccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000751485105 579809922 /nfs/dbraw/zinc/80/99/22/579809922.db2.gz YVUPQDRAGCETOW-UHFFFAOYSA-N 2 2 334.445 1.479 20 0 EDADLP c1cn(-c2ncccc2C[NH2+]C2CCN(c3cnccn3)CC2)c[nH+]1 ZINC000764866002 580130087 /nfs/dbraw/zinc/13/00/87/580130087.db2.gz HTJANOJGDCPXHS-UHFFFAOYSA-N 2 2 335.415 1.816 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000765827640 580152080 /nfs/dbraw/zinc/15/20/80/580152080.db2.gz JRUXKZASFKFWLS-OAHLLOKOSA-N 2 2 337.489 1.676 20 0 EDADLP CC(C)(C)OCC(N)=[NH+]OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000768932654 580224442 /nfs/dbraw/zinc/22/44/42/580224442.db2.gz CBPKQIDKVSZOJW-UHFFFAOYSA-N 2 2 326.441 1.043 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000770028681 580251467 /nfs/dbraw/zinc/25/14/67/580251467.db2.gz MBDHVPRPJUSKIM-OAHLLOKOSA-N 2 2 348.472 1.490 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000770028681 580251468 /nfs/dbraw/zinc/25/14/68/580251468.db2.gz MBDHVPRPJUSKIM-OAHLLOKOSA-N 2 2 348.472 1.490 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000770028975 580251484 /nfs/dbraw/zinc/25/14/84/580251484.db2.gz SFKHDHYHVYAVPU-ZDUSSCGKSA-N 2 2 333.436 1.368 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000770028975 580251485 /nfs/dbraw/zinc/25/14/85/580251485.db2.gz SFKHDHYHVYAVPU-ZDUSSCGKSA-N 2 2 333.436 1.368 20 0 EDADLP CC(C)[N@H+](C[C@H](O)COc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000770041222 580251671 /nfs/dbraw/zinc/25/16/71/580251671.db2.gz KJDWVAPCCSNWGO-ROUUACIJSA-N 2 2 336.476 1.593 20 0 EDADLP CC(C)[N@@H+](C[C@H](O)COc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000770041222 580251672 /nfs/dbraw/zinc/25/16/72/580251672.db2.gz KJDWVAPCCSNWGO-ROUUACIJSA-N 2 2 336.476 1.593 20 0 EDADLP CSCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771767199 580293243 /nfs/dbraw/zinc/29/32/43/580293243.db2.gz LAPOPXBPRCRNOW-HOCLYGCPSA-N 2 2 342.553 1.938 20 0 EDADLP CSCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771767199 580293244 /nfs/dbraw/zinc/29/32/44/580293244.db2.gz LAPOPXBPRCRNOW-HOCLYGCPSA-N 2 2 342.553 1.938 20 0 EDADLP O=C(C[NH2+][C@H](CCO)C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000771799777 580294341 /nfs/dbraw/zinc/29/43/41/580294341.db2.gz LTYIBFNTZBLHAB-MRXNPFEDSA-N 2 2 337.489 1.143 20 0 EDADLP Cc1cc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)on1 ZINC000779649008 580492736 /nfs/dbraw/zinc/49/27/36/580492736.db2.gz OZNUPHGOIGJLIJ-MRXNPFEDSA-N 2 2 330.388 1.882 20 0 EDADLP Cc1cc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)on1 ZINC000779649008 580492737 /nfs/dbraw/zinc/49/27/37/580492737.db2.gz OZNUPHGOIGJLIJ-MRXNPFEDSA-N 2 2 330.388 1.882 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000783783571 580606236 /nfs/dbraw/zinc/60/62/36/580606236.db2.gz MRSAZEHKTNWOFQ-HZPDHXFCSA-N 2 2 339.480 1.347 20 0 EDADLP CC(C)(CNC(=O)C[NH2+]C(C)(C)C1CCOCC1)[NH+]1CCOCC1 ZINC000786153960 580663017 /nfs/dbraw/zinc/66/30/17/580663017.db2.gz UDSMVBGFDMVCBG-UHFFFAOYSA-N 2 2 341.496 1.008 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCO1 ZINC000788859134 580731246 /nfs/dbraw/zinc/73/12/46/580731246.db2.gz ZBOCAFYJZHTPCJ-BBRMVZONSA-N 2 2 342.399 1.875 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891919669 590688891 /nfs/dbraw/zinc/68/88/91/590688891.db2.gz ZQNUKUWQKRZBTL-MRXNPFEDSA-N 2 2 326.400 1.604 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H]3CCC[NH2+]C3)C2)c1 ZINC000892015857 590747778 /nfs/dbraw/zinc/74/77/78/590747778.db2.gz CRNNGNVNKRZZBJ-ROUUACIJSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H]3CCC[NH2+]C3)C2)c1 ZINC000892015857 590747782 /nfs/dbraw/zinc/74/77/82/590747782.db2.gz CRNNGNVNKRZZBJ-ROUUACIJSA-N 2 2 346.475 1.247 20 0 EDADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000892157260 590829462 /nfs/dbraw/zinc/82/94/62/590829462.db2.gz WOBSDZUKGHEVIS-GJZGRUSLSA-N 2 2 349.385 1.921 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892514144 591054845 /nfs/dbraw/zinc/05/48/45/591054845.db2.gz WONYIZQFWJKPKX-CQSZACIVSA-N 2 2 335.477 1.138 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000893711433 591058697 /nfs/dbraw/zinc/05/86/97/591058697.db2.gz NMSNTHIBGLNTIT-HZPDHXFCSA-N 2 2 349.479 1.208 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)[nH+]cn1 ZINC000893711433 591058700 /nfs/dbraw/zinc/05/87/00/591058700.db2.gz NMSNTHIBGLNTIT-HZPDHXFCSA-N 2 2 349.479 1.208 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000892536620 591064221 /nfs/dbraw/zinc/06/42/21/591064221.db2.gz RKQLDGUFENUZKY-SJLPKXTDSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000892536620 591064224 /nfs/dbraw/zinc/06/42/24/591064224.db2.gz RKQLDGUFENUZKY-SJLPKXTDSA-N 2 2 346.475 1.199 20 0 EDADLP CC(C)(C)c1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000892601533 591088853 /nfs/dbraw/zinc/08/88/53/591088853.db2.gz VWFMWEILLXYYIV-LBPRGKRZSA-N 2 2 334.468 1.664 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000892610876 591095221 /nfs/dbraw/zinc/09/52/21/591095221.db2.gz GZYVWBMCBAAQGK-QZTJIDSGSA-N 2 2 346.475 1.199 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000892610876 591095223 /nfs/dbraw/zinc/09/52/23/591095223.db2.gz GZYVWBMCBAAQGK-QZTJIDSGSA-N 2 2 346.475 1.199 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000892613484 591096792 /nfs/dbraw/zinc/09/67/92/591096792.db2.gz FQYWRDPIJYDXEQ-QRQLOZEOSA-N 2 2 328.460 1.814 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000892613484 591096794 /nfs/dbraw/zinc/09/67/94/591096794.db2.gz FQYWRDPIJYDXEQ-QRQLOZEOSA-N 2 2 328.460 1.814 20 0 EDADLP C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1)[C@H]1CCS(=O)(=O)C1 ZINC000892640175 591107309 /nfs/dbraw/zinc/10/73/09/591107309.db2.gz KXEUDWXSELXSIP-KGLIPLIRSA-N 2 2 338.477 1.069 20 0 EDADLP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)c(F)c1OC ZINC000893863704 591119436 /nfs/dbraw/zinc/11/94/36/591119436.db2.gz LJLGIUSHDHNCCK-UHFFFAOYSA-N 2 2 326.412 1.731 20 0 EDADLP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c(F)c1OC ZINC000893863704 591119438 /nfs/dbraw/zinc/11/94/38/591119438.db2.gz LJLGIUSHDHNCCK-UHFFFAOYSA-N 2 2 326.412 1.731 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C4CCC3(C[NH3+])CC4)[nH+]c12 ZINC000891628725 591158101 /nfs/dbraw/zinc/15/81/01/591158101.db2.gz VZSHMVGFGHUTRF-UHFFFAOYSA-N 2 2 327.432 1.851 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000893998185 591158463 /nfs/dbraw/zinc/15/84/63/591158463.db2.gz CXSPUXNNIDKMGP-UHFFFAOYSA-N 2 2 342.487 1.785 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)CC1 ZINC000892765790 591166922 /nfs/dbraw/zinc/16/69/22/591166922.db2.gz GJJXNWNGQVKTBE-LJQANCHMSA-N 2 2 345.491 1.233 20 0 EDADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000892775235 591170878 /nfs/dbraw/zinc/17/08/78/591170878.db2.gz YELCNWLATNJVSY-HNNXBMFYSA-N 2 2 347.463 1.457 20 0 EDADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000892775235 591170884 /nfs/dbraw/zinc/17/08/84/591170884.db2.gz YELCNWLATNJVSY-HNNXBMFYSA-N 2 2 347.463 1.457 20 0 EDADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000892779978 591173232 /nfs/dbraw/zinc/17/32/32/591173232.db2.gz QLKOLPSDJLNJKB-GJZGRUSLSA-N 2 2 347.463 1.805 20 0 EDADLP C[N@H+]1C[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]2C1 ZINC000891741997 591206268 /nfs/dbraw/zinc/20/62/68/591206268.db2.gz XYEIDCGOYPOVMY-IYBDPMFKSA-N 2 2 329.448 1.385 20 0 EDADLP C[N@@H+]1C[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]2C1 ZINC000891741997 591206271 /nfs/dbraw/zinc/20/62/71/591206271.db2.gz XYEIDCGOYPOVMY-IYBDPMFKSA-N 2 2 329.448 1.385 20 0 EDADLP COC(=O)c1cnc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000894169249 591215506 /nfs/dbraw/zinc/21/55/06/591215506.db2.gz ZISYGSBMHWPFEL-UHFFFAOYSA-N 2 2 326.466 1.045 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)n[nH]1 ZINC000895630121 591236002 /nfs/dbraw/zinc/23/60/02/591236002.db2.gz UUHLESVSLNVRQL-QGZVFWFLSA-N 2 2 331.464 1.877 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c2c1OC(F)(F)O2 ZINC000895645722 591240944 /nfs/dbraw/zinc/24/09/44/591240944.db2.gz SYMOACMLHDUYQV-IUODEOHRSA-N 2 2 326.343 1.636 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c2c1OC(F)(F)O2 ZINC000895645722 591240947 /nfs/dbraw/zinc/24/09/47/591240947.db2.gz SYMOACMLHDUYQV-IUODEOHRSA-N 2 2 326.343 1.636 20 0 EDADLP Cc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(Nc2ccccc2)[nH+]1 ZINC000894399165 591302128 /nfs/dbraw/zinc/30/21/28/591302128.db2.gz PAIJAHFLQKHJAF-MRXNPFEDSA-N 2 2 325.416 1.784 20 0 EDADLP Cc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc(Nc2ccccc2)[nH+]1 ZINC000894399165 591302131 /nfs/dbraw/zinc/30/21/31/591302131.db2.gz PAIJAHFLQKHJAF-MRXNPFEDSA-N 2 2 325.416 1.784 20 0 EDADLP CS(=O)(=O)C1CC([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000896019200 591324726 /nfs/dbraw/zinc/32/47/26/591324726.db2.gz NDHAZWUTGJLHAQ-IIIMJFFVSA-N 2 2 349.500 1.959 20 0 EDADLP CS(=O)(=O)C1CC([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000896019200 591324729 /nfs/dbraw/zinc/32/47/29/591324729.db2.gz NDHAZWUTGJLHAQ-IIIMJFFVSA-N 2 2 349.500 1.959 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000896185583 591375057 /nfs/dbraw/zinc/37/50/57/591375057.db2.gz ABQNYOOPINXPFP-UKBAYJJMSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000896185583 591375062 /nfs/dbraw/zinc/37/50/62/591375062.db2.gz ABQNYOOPINXPFP-UKBAYJJMSA-N 2 2 345.487 1.905 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000898492166 591377760 /nfs/dbraw/zinc/37/77/60/591377760.db2.gz SFJJBMDVHOAQDA-QZTJIDSGSA-N 2 2 348.466 1.844 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000898492166 591377763 /nfs/dbraw/zinc/37/77/63/591377763.db2.gz SFJJBMDVHOAQDA-QZTJIDSGSA-N 2 2 348.466 1.844 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000898492166 591377768 /nfs/dbraw/zinc/37/77/68/591377768.db2.gz SFJJBMDVHOAQDA-QZTJIDSGSA-N 2 2 348.466 1.844 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000898492166 591377773 /nfs/dbraw/zinc/37/77/73/591377773.db2.gz SFJJBMDVHOAQDA-QZTJIDSGSA-N 2 2 348.466 1.844 20 0 EDADLP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000898495865 591379486 /nfs/dbraw/zinc/37/94/86/591379486.db2.gz VCDIOGTZGOGTTP-ROUUACIJSA-N 2 2 349.450 1.438 20 0 EDADLP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000898495865 591379490 /nfs/dbraw/zinc/37/94/90/591379490.db2.gz VCDIOGTZGOGTTP-ROUUACIJSA-N 2 2 349.450 1.438 20 0 EDADLP CC[C@@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)[C@H](C)O ZINC000894735462 591399016 /nfs/dbraw/zinc/39/90/16/591399016.db2.gz NQCUEQSVBMJJRX-DZGCQCFKSA-N 2 2 329.485 1.725 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000898610828 591437324 /nfs/dbraw/zinc/43/73/24/591437324.db2.gz FDWXYWIPNIUPME-UHFFFAOYSA-N 2 2 340.464 1.725 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCN(C(C)(C)C)C1=O ZINC000898670600 591468178 /nfs/dbraw/zinc/46/81/78/591468178.db2.gz YYPKVZYVSYTWGH-OAHLLOKOSA-N 2 2 340.512 1.023 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(C(C)(C)C)C1=O ZINC000898670600 591468180 /nfs/dbraw/zinc/46/81/80/591468180.db2.gz YYPKVZYVSYTWGH-OAHLLOKOSA-N 2 2 340.512 1.023 20 0 EDADLP C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000896533047 591498483 /nfs/dbraw/zinc/49/84/83/591498483.db2.gz NLQHZFYCMRQQNP-RWMBFGLXSA-N 2 2 347.385 1.127 20 0 EDADLP C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000896533047 591498484 /nfs/dbraw/zinc/49/84/84/591498484.db2.gz NLQHZFYCMRQQNP-RWMBFGLXSA-N 2 2 347.385 1.127 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)C2CC[NH+](CC(F)F)CC2)C12CCC2 ZINC000898832094 591551548 /nfs/dbraw/zinc/55/15/48/591551548.db2.gz WCVPCQATTGOYOG-ZIAGYGMSSA-N 2 2 329.435 1.953 20 0 EDADLP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC(C)(C)n2cc[nH+]c2)cn1 ZINC000898910949 591595669 /nfs/dbraw/zinc/59/56/69/591595669.db2.gz CKTUXZIUDNDMEA-JKSUJKDBSA-N 2 2 344.463 1.203 20 0 EDADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCC(C)(C)n2cc[nH+]c2)cn1 ZINC000898910949 591595670 /nfs/dbraw/zinc/59/56/70/591595670.db2.gz CKTUXZIUDNDMEA-JKSUJKDBSA-N 2 2 344.463 1.203 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000897649720 591604188 /nfs/dbraw/zinc/60/41/88/591604188.db2.gz JZCHLXWHWDWIAT-ARLBYUKCSA-N 2 2 339.480 1.693 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000897649720 591604191 /nfs/dbraw/zinc/60/41/91/591604191.db2.gz JZCHLXWHWDWIAT-ARLBYUKCSA-N 2 2 339.480 1.693 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000896781620 591610502 /nfs/dbraw/zinc/61/05/02/591610502.db2.gz RNRCWAMQGQUVLL-HNNXBMFYSA-N 2 2 332.448 1.998 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000896781620 591610504 /nfs/dbraw/zinc/61/05/04/591610504.db2.gz RNRCWAMQGQUVLL-HNNXBMFYSA-N 2 2 332.448 1.998 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000898961611 591618195 /nfs/dbraw/zinc/61/81/95/591618195.db2.gz HTHWXASPJGZHSD-HNNXBMFYSA-N 2 2 345.447 1.289 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000898972165 591622425 /nfs/dbraw/zinc/62/24/25/591622425.db2.gz IVDBBQBISHHODV-UHFFFAOYSA-N 2 2 327.432 1.880 20 0 EDADLP CN(C)c1cc[nH+]c(N[C@@H]2CCc3[nH+]cc(Br)n3C2)n1 ZINC000897757133 591645519 /nfs/dbraw/zinc/64/55/19/591645519.db2.gz IMZWJLRRJNFXGD-SECBINFHSA-N 2 2 337.225 1.929 20 0 EDADLP CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000896981884 591699920 /nfs/dbraw/zinc/69/99/20/591699920.db2.gz CBTBJYLQBIUMTN-GUDVDZBRSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000896981884 591699925 /nfs/dbraw/zinc/69/99/25/591699925.db2.gz CBTBJYLQBIUMTN-GUDVDZBRSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000896981884 591699926 /nfs/dbraw/zinc/69/99/26/591699926.db2.gz CBTBJYLQBIUMTN-GUDVDZBRSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000896981884 591699929 /nfs/dbraw/zinc/69/99/29/591699929.db2.gz CBTBJYLQBIUMTN-GUDVDZBRSA-N 2 2 345.487 1.876 20 0 EDADLP COC(=O)c1cnc([C@H]2CC[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)s1 ZINC000896971450 591701212 /nfs/dbraw/zinc/70/12/12/591701212.db2.gz SYSBPNXKNJYPAA-NSHDSACASA-N 2 2 349.460 1.719 20 0 EDADLP COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)s1 ZINC000896971450 591701215 /nfs/dbraw/zinc/70/12/15/591701215.db2.gz SYSBPNXKNJYPAA-NSHDSACASA-N 2 2 349.460 1.719 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000899147790 591708157 /nfs/dbraw/zinc/70/81/57/591708157.db2.gz BBKGKWMEKZJIFM-SJORKVTESA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000899147790 591708160 /nfs/dbraw/zinc/70/81/60/591708160.db2.gz BBKGKWMEKZJIFM-SJORKVTESA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000899147790 591708162 /nfs/dbraw/zinc/70/81/62/591708162.db2.gz BBKGKWMEKZJIFM-SJORKVTESA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000899147790 591708165 /nfs/dbraw/zinc/70/81/65/591708165.db2.gz BBKGKWMEKZJIFM-SJORKVTESA-N 2 2 346.475 1.271 20 0 EDADLP CO[C@@H]1C[C@@H]2C[N@H+](Cc3c(C)cc[nH+]c3N)Cc3cccnc3N2C1 ZINC000895439432 591758345 /nfs/dbraw/zinc/75/83/45/591758345.db2.gz AYLGFSJBVOEPPY-HZPDHXFCSA-N 2 2 339.443 1.977 20 0 EDADLP CO[C@@H]1C[C@@H]2C[N@@H+](Cc3c(C)cc[nH+]c3N)Cc3cccnc3N2C1 ZINC000895439432 591758348 /nfs/dbraw/zinc/75/83/48/591758348.db2.gz AYLGFSJBVOEPPY-HZPDHXFCSA-N 2 2 339.443 1.977 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1C ZINC000895558280 591801315 /nfs/dbraw/zinc/80/13/15/591801315.db2.gz UYMKISWQKPGKQC-CQSZACIVSA-N 2 2 328.416 1.917 20 0 EDADLP COCC[NH+](CCOC)C1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000898255654 591839398 /nfs/dbraw/zinc/83/93/98/591839398.db2.gz VNYGPOJPTHLRNU-SFHVURJKSA-N 2 2 349.475 1.095 20 0 EDADLP C/C(=C\C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900013268 591862985 /nfs/dbraw/zinc/86/29/85/591862985.db2.gz INWZBGCHCMHFFL-OTMARIDSSA-N 2 2 349.450 1.823 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CN2CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000902145857 591927794 /nfs/dbraw/zinc/92/77/94/591927794.db2.gz IBURPKCAYWCFRK-MRXNPFEDSA-N 2 2 334.439 1.904 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CN2CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000902145857 591927798 /nfs/dbraw/zinc/92/77/98/591927798.db2.gz IBURPKCAYWCFRK-MRXNPFEDSA-N 2 2 334.439 1.904 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C[C@H]([C@H]3CCCO3)CC2=O)C[C@H]1n1cc[nH+]c1 ZINC000902181564 591933594 /nfs/dbraw/zinc/93/35/94/591933594.db2.gz BYBXRBDKDHUFFA-QBPKDAKJSA-N 2 2 332.448 1.751 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C[C@H]([C@H]3CCCO3)CC2=O)C[C@H]1n1cc[nH+]c1 ZINC000902181564 591933597 /nfs/dbraw/zinc/93/35/97/591933597.db2.gz BYBXRBDKDHUFFA-QBPKDAKJSA-N 2 2 332.448 1.751 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902195647 591942438 /nfs/dbraw/zinc/94/24/38/591942438.db2.gz MNCWDXWMCOUHFD-VRCAPQLRSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902195647 591942440 /nfs/dbraw/zinc/94/24/40/591942440.db2.gz MNCWDXWMCOUHFD-VRCAPQLRSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902195647 591942442 /nfs/dbraw/zinc/94/24/42/591942442.db2.gz MNCWDXWMCOUHFD-VRCAPQLRSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902195647 591942443 /nfs/dbraw/zinc/94/24/43/591942443.db2.gz MNCWDXWMCOUHFD-VRCAPQLRSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC2(CC[N@@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000899910401 591979551 /nfs/dbraw/zinc/97/95/51/591979551.db2.gz JXNQFVRXSKRDBV-HXUWFJFHSA-N 3 2 329.488 1.794 20 0 EDADLP C[NH+]1CCC2(CC[N@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000899910401 591979554 /nfs/dbraw/zinc/97/95/54/591979554.db2.gz JXNQFVRXSKRDBV-HXUWFJFHSA-N 3 2 329.488 1.794 20 0 EDADLP C[NH+]1CCC2(CC[NH+]2C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000899910401 591979558 /nfs/dbraw/zinc/97/95/58/591979558.db2.gz JXNQFVRXSKRDBV-HXUWFJFHSA-N 3 2 329.488 1.794 20 0 EDADLP C[NH+]1CCC2(CC[NH+]2C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000899910401 591979561 /nfs/dbraw/zinc/97/95/61/591979561.db2.gz JXNQFVRXSKRDBV-HXUWFJFHSA-N 3 2 329.488 1.794 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nc[nH+]1 ZINC000902358173 591986319 /nfs/dbraw/zinc/98/63/19/591986319.db2.gz BLIFBPURCHOGKV-HUUCEWRRSA-N 3 2 332.496 1.855 20 0 EDADLP C/C(=C\C(=O)N(C)CC[N@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000900412200 592011109 /nfs/dbraw/zinc/01/11/09/592011109.db2.gz JHTMTVFEPYFEJD-BMRADRMJSA-N 2 2 337.508 1.988 20 0 EDADLP C/C(=C\C(=O)N(C)CC[N@@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000900412200 592011110 /nfs/dbraw/zinc/01/11/10/592011110.db2.gz JHTMTVFEPYFEJD-BMRADRMJSA-N 2 2 337.508 1.988 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000900497511 592034530 /nfs/dbraw/zinc/03/45/30/592034530.db2.gz OWGSYXMFPAJLRR-OAHLLOKOSA-N 2 2 347.463 1.104 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000900497511 592034531 /nfs/dbraw/zinc/03/45/31/592034531.db2.gz OWGSYXMFPAJLRR-OAHLLOKOSA-N 2 2 347.463 1.104 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H](O)CCc3ccccc3)nn2)CC1 ZINC000900579943 592058145 /nfs/dbraw/zinc/05/81/45/592058145.db2.gz DXWPLQPDEOTPIU-IBGZPJMESA-N 2 2 343.475 1.456 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902786359 592063752 /nfs/dbraw/zinc/06/37/52/592063752.db2.gz MUEZWVGMGNGCPU-UXJCHEOYSA-N 2 2 335.492 1.332 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902786359 592063755 /nfs/dbraw/zinc/06/37/55/592063755.db2.gz MUEZWVGMGNGCPU-UXJCHEOYSA-N 2 2 335.492 1.332 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000902939925 592088093 /nfs/dbraw/zinc/08/80/93/592088093.db2.gz KXPRSOAMCJRZRV-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3nccs3)C2)CC1 ZINC000900676040 592091321 /nfs/dbraw/zinc/09/13/21/592091321.db2.gz ZROADFGUOWMCGH-CYBMUJFWSA-N 2 2 336.505 1.705 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)c3nccs3)C2)CC1 ZINC000900676040 592091322 /nfs/dbraw/zinc/09/13/22/592091322.db2.gz ZROADFGUOWMCGH-CYBMUJFWSA-N 2 2 336.505 1.705 20 0 EDADLP C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902993361 592095572 /nfs/dbraw/zinc/09/55/72/592095572.db2.gz RRPVUMSBPZMNNO-CQSZACIVSA-N 2 2 326.404 1.697 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(N(C)C)cc[nH+]2)cc1 ZINC000903203545 592135123 /nfs/dbraw/zinc/13/51/23/592135123.db2.gz VTGGOBRYDNYRMA-CYBMUJFWSA-N 2 2 348.472 1.907 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nnnn1C ZINC000903344998 592156603 /nfs/dbraw/zinc/15/66/03/592156603.db2.gz UBUUMGQMOYIULT-GDBMZVCRSA-N 2 2 329.452 1.038 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nnnn1C ZINC000903344998 592156605 /nfs/dbraw/zinc/15/66/05/592156605.db2.gz UBUUMGQMOYIULT-GDBMZVCRSA-N 2 2 329.452 1.038 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000900898368 592156989 /nfs/dbraw/zinc/15/69/89/592156989.db2.gz KNXSPHLOBZKHQK-SFHVURJKSA-N 2 2 342.443 1.514 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000900898368 592156992 /nfs/dbraw/zinc/15/69/92/592156992.db2.gz KNXSPHLOBZKHQK-SFHVURJKSA-N 2 2 342.443 1.514 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000903454849 592174074 /nfs/dbraw/zinc/17/40/74/592174074.db2.gz KUAHOKZJZUPVEG-MJGOQNOKSA-N 2 2 339.487 1.845 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000903454849 592174076 /nfs/dbraw/zinc/17/40/76/592174076.db2.gz KUAHOKZJZUPVEG-MJGOQNOKSA-N 2 2 339.487 1.845 20 0 EDADLP CN(CCCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470175 592175385 /nfs/dbraw/zinc/17/53/85/592175385.db2.gz HGICUCPTRHBTSI-QGZVFWFLSA-N 2 2 330.476 1.503 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)NC[C@H]1COc2ccccc2O1 ZINC000903485403 592178096 /nfs/dbraw/zinc/17/80/96/592178096.db2.gz NFNGAJMANAKGDZ-WMLDXEAASA-N 2 2 345.443 1.207 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)NC[C@@H]1COc2ccccc2O1 ZINC000903485402 592178147 /nfs/dbraw/zinc/17/81/47/592178147.db2.gz NFNGAJMANAKGDZ-RHSMWYFYSA-N 2 2 345.443 1.207 20 0 EDADLP C/C(=C/C(=O)N(CC[NH+](C)C)Cc1ccco1)C[NH+]1CCOCC1 ZINC000901012214 592195678 /nfs/dbraw/zinc/19/56/78/592195678.db2.gz MGINJWGTYWLKBU-SSZFMOIBSA-N 2 2 335.448 1.448 20 0 EDADLP CCn1ccnc(N2CCC([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)CC2)c1=O ZINC000904368102 592239368 /nfs/dbraw/zinc/23/93/68/592239368.db2.gz HYXGAQXEZOQFFF-HNNXBMFYSA-N 2 2 349.523 1.975 20 0 EDADLP C[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000901141110 592257825 /nfs/dbraw/zinc/25/78/25/592257825.db2.gz QPEUFWPYKYPJKV-RDTXWAMCSA-N 2 2 340.427 1.696 20 0 EDADLP C[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000901141110 592257831 /nfs/dbraw/zinc/25/78/31/592257831.db2.gz QPEUFWPYKYPJKV-RDTXWAMCSA-N 2 2 340.427 1.696 20 0 EDADLP Cc1c(Cl)c(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)nn1C ZINC000904448990 592263860 /nfs/dbraw/zinc/26/38/60/592263860.db2.gz HTDQBCPNKDSGHL-ZDUSSCGKSA-N 2 2 335.839 1.807 20 0 EDADLP Cc1ccc(-c2nn(C)cc2CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)o1 ZINC000904485594 592271960 /nfs/dbraw/zinc/27/19/60/592271960.db2.gz OICQKIBFFPZPCF-HUUCEWRRSA-N 2 2 340.431 1.649 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c(C)o1 ZINC000903722916 592284159 /nfs/dbraw/zinc/28/41/59/592284159.db2.gz QNCAKDHCBQXFJP-QFBILLFUSA-N 2 2 347.459 1.423 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC2(C3CC[NH2+]CC3)CC2)c(N(C)C)[nH+]1 ZINC000906715199 592285048 /nfs/dbraw/zinc/28/50/48/592285048.db2.gz LCGVSBDKQVBTPJ-UHFFFAOYSA-N 2 2 345.447 1.043 20 0 EDADLP c1nc2c(c(N3CCOCC3)n1)C[N@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903736187 592298726 /nfs/dbraw/zinc/29/87/26/592298726.db2.gz HPFRAAXUPSALIV-OAHLLOKOSA-N 2 2 331.464 1.061 20 0 EDADLP c1nc2c(c(N3CCOCC3)n1)C[N@@H+](C[C@@H]1CCCC[NH2+]C1)CC2 ZINC000903736187 592298729 /nfs/dbraw/zinc/29/87/29/592298729.db2.gz HPFRAAXUPSALIV-OAHLLOKOSA-N 2 2 331.464 1.061 20 0 EDADLP O[C@@H](COc1ccccc1)CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903739243 592300670 /nfs/dbraw/zinc/30/06/70/592300670.db2.gz FUWBQVGYINFHJR-RTBURBONSA-N 2 2 347.503 1.434 20 0 EDADLP Cc1nc(N2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc[nH+]1 ZINC000903755761 592313760 /nfs/dbraw/zinc/31/37/60/592313760.db2.gz LIGAITMAEWTTCB-MRXNPFEDSA-N 3 2 331.464 1.066 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC000908105308 592321809 /nfs/dbraw/zinc/32/18/09/592321809.db2.gz YKPOGVLWCNYVDW-ROUUACIJSA-N 2 2 343.471 1.613 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC000908105308 592321814 /nfs/dbraw/zinc/32/18/14/592321814.db2.gz YKPOGVLWCNYVDW-ROUUACIJSA-N 2 2 343.471 1.613 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903799753 592327056 /nfs/dbraw/zinc/32/70/56/592327056.db2.gz SERPGODVBHVZNQ-VQIMIIECSA-N 2 2 344.459 1.606 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903799753 592327059 /nfs/dbraw/zinc/32/70/59/592327059.db2.gz SERPGODVBHVZNQ-VQIMIIECSA-N 2 2 344.459 1.606 20 0 EDADLP C/C(=C/C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1)C[NH+]1CCOCC1 ZINC000908159160 592354173 /nfs/dbraw/zinc/35/41/73/592354173.db2.gz GDMMPRQKYVSGKX-QINSGFPZSA-N 2 2 332.448 1.469 20 0 EDADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCCO2 ZINC000903876994 592358265 /nfs/dbraw/zinc/35/82/65/592358265.db2.gz JSWHBFUTWWJFID-HNNXBMFYSA-N 2 2 343.431 1.606 20 0 EDADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccc2c(c1)OCCO2 ZINC000903876994 592358269 /nfs/dbraw/zinc/35/82/69/592358269.db2.gz JSWHBFUTWWJFID-HNNXBMFYSA-N 2 2 343.431 1.606 20 0 EDADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884750 592362843 /nfs/dbraw/zinc/36/28/43/592362843.db2.gz ACQDLZOMBCBVLZ-HOCLYGCPSA-N 2 2 334.468 1.035 20 0 EDADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903884750 592362848 /nfs/dbraw/zinc/36/28/48/592362848.db2.gz ACQDLZOMBCBVLZ-HOCLYGCPSA-N 2 2 334.468 1.035 20 0 EDADLP O[C@H](C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1)C(F)(F)F ZINC000903896336 592367859 /nfs/dbraw/zinc/36/78/59/592367859.db2.gz BCRXQOQNDNBWDP-TZMCWYRMSA-N 2 2 347.385 1.338 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@@H]1n1cc[nH+]c1 ZINC000903898143 592369545 /nfs/dbraw/zinc/36/95/45/592369545.db2.gz JRQAUPAZOLEXCA-INMHGKMJSA-N 3 2 329.452 1.482 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@@H]1n1cc[nH+]c1 ZINC000903898143 592369550 /nfs/dbraw/zinc/36/95/50/592369550.db2.gz JRQAUPAZOLEXCA-INMHGKMJSA-N 3 2 329.452 1.482 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905033758 592371655 /nfs/dbraw/zinc/37/16/55/592371655.db2.gz GASZWQISJGLRRS-CEXWTWQISA-N 2 2 334.460 1.143 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905033758 592371660 /nfs/dbraw/zinc/37/16/60/592371660.db2.gz GASZWQISJGLRRS-CEXWTWQISA-N 2 2 334.460 1.143 20 0 EDADLP C[C@](O)(C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000905079779 592388483 /nfs/dbraw/zinc/38/84/83/592388483.db2.gz IWOFTZHWCCIOPO-INIZCTEOSA-N 3 2 328.407 1.199 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH+]4C)co2)C1 ZINC000906868893 592391840 /nfs/dbraw/zinc/39/18/40/592391840.db2.gz XDMLPZUBSMJWHL-ILXRZTDVSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH+]4C)co2)C1 ZINC000906868893 592391847 /nfs/dbraw/zinc/39/18/47/592391847.db2.gz XDMLPZUBSMJWHL-ILXRZTDVSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)co2)C1 ZINC000906868893 592391852 /nfs/dbraw/zinc/39/18/52/592391852.db2.gz XDMLPZUBSMJWHL-ILXRZTDVSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)co2)C1 ZINC000906868893 592391858 /nfs/dbraw/zinc/39/18/58/592391858.db2.gz XDMLPZUBSMJWHL-ILXRZTDVSA-N 2 2 348.447 1.204 20 0 EDADLP Cc1nn2c(C[NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)c(C)nc2s1 ZINC000903973972 592397465 /nfs/dbraw/zinc/39/74/65/592397465.db2.gz RIHNISOUTRIBPT-CYBMUJFWSA-N 2 2 335.477 1.656 20 0 EDADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973240 592397870 /nfs/dbraw/zinc/39/78/70/592397870.db2.gz CBYQATUOHBFHNY-HNNXBMFYSA-N 2 2 338.473 1.338 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H](C)C[NH+](C)C(C)C)co2)C1 ZINC000908262615 592411168 /nfs/dbraw/zinc/41/11/68/592411168.db2.gz ZCPHCLPYDJPELZ-KBPBESRZSA-N 2 2 338.452 1.354 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H](C)C[NH+](C)C(C)C)co2)C1 ZINC000908262615 592411173 /nfs/dbraw/zinc/41/11/73/592411173.db2.gz ZCPHCLPYDJPELZ-KBPBESRZSA-N 2 2 338.452 1.354 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)co2)C1 ZINC000908262615 592411176 /nfs/dbraw/zinc/41/11/76/592411176.db2.gz ZCPHCLPYDJPELZ-KBPBESRZSA-N 2 2 338.452 1.354 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)co2)C1 ZINC000908262615 592411179 /nfs/dbraw/zinc/41/11/79/592411179.db2.gz ZCPHCLPYDJPELZ-KBPBESRZSA-N 2 2 338.452 1.354 20 0 EDADLP CCN1CC[C@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901727733 592445987 /nfs/dbraw/zinc/44/59/87/592445987.db2.gz ISNNJBPGVOXVMM-UWVGGRQHSA-N 2 2 327.226 1.171 20 0 EDADLP C[C@]1(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CCC[NH2+]C1 ZINC000904337231 592475359 /nfs/dbraw/zinc/47/53/59/592475359.db2.gz RWRKMMPKZMAKLX-IBGZPJMESA-N 2 2 345.443 1.563 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(O)CCC1 ZINC000905233519 592482854 /nfs/dbraw/zinc/48/28/54/592482854.db2.gz QGRBZCPCXSXDBB-ROUUACIJSA-N 2 2 334.460 1.143 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(O)CCC1 ZINC000905233519 592482856 /nfs/dbraw/zinc/48/28/56/592482856.db2.gz QGRBZCPCXSXDBB-ROUUACIJSA-N 2 2 334.460 1.143 20 0 EDADLP O[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1(O)CCC1 ZINC000905242288 592485395 /nfs/dbraw/zinc/48/53/95/592485395.db2.gz HWJJHXUFWYHUPD-RUXDESIVSA-N 2 2 336.398 1.657 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000905381343 592513187 /nfs/dbraw/zinc/51/31/87/592513187.db2.gz PLWNFVRQYVNLPB-UHFFFAOYSA-N 2 2 348.491 1.234 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC000905398258 592520567 /nfs/dbraw/zinc/52/05/67/592520567.db2.gz HLDAICVBFKZSJE-RCCFBDPRSA-N 2 2 336.476 1.296 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC000905398258 592520570 /nfs/dbraw/zinc/52/05/70/592520570.db2.gz HLDAICVBFKZSJE-RCCFBDPRSA-N 2 2 336.476 1.296 20 0 EDADLP CCc1nc[nH]c1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000907131071 592524497 /nfs/dbraw/zinc/52/44/97/592524497.db2.gz IKTPFACAYPCRCU-YIONKMFJSA-N 2 2 331.464 1.355 20 0 EDADLP CCc1nc[nH]c1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000907131071 592524498 /nfs/dbraw/zinc/52/44/98/592524498.db2.gz IKTPFACAYPCRCU-YIONKMFJSA-N 2 2 331.464 1.355 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)ccc21 ZINC000908535856 592528598 /nfs/dbraw/zinc/52/85/98/592528598.db2.gz ZMQPGXLFWFMZLS-KSSFIOAISA-N 2 2 328.416 1.694 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)ccc21 ZINC000908535856 592528600 /nfs/dbraw/zinc/52/86/00/592528600.db2.gz ZMQPGXLFWFMZLS-KSSFIOAISA-N 2 2 328.416 1.694 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3CC4(C3)OCCO4)c2cc1C ZINC000905593424 592585677 /nfs/dbraw/zinc/58/56/77/592585677.db2.gz RMRBPYPOHTXJKF-INIZCTEOSA-N 2 2 345.443 1.757 20 0 EDADLP COc1cccc([C@H]2C[NH2+]CCN2c2cc(NC[C@H](C)O)[nH+]cn2)c1 ZINC000905661422 592599972 /nfs/dbraw/zinc/59/99/72/592599972.db2.gz MYFXWXDXIOGJAR-XJKSGUPXSA-N 2 2 343.431 1.429 20 0 EDADLP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)CNc3cccc[nH+]3)CC2)CC1 ZINC000907384701 592620390 /nfs/dbraw/zinc/62/03/90/592620390.db2.gz LWMOEFGWTVQKSA-IYBDPMFKSA-N 2 2 331.464 1.168 20 0 EDADLP Cn1ccc([C@@H]2CCC[N@H+](CN3C[C@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000905715988 592622220 /nfs/dbraw/zinc/62/22/20/592622220.db2.gz NFTDPOLQNDOEGI-HUUCEWRRSA-N 2 2 342.447 1.307 20 0 EDADLP Cn1ccc([C@@H]2CCC[N@@H+](CN3C[C@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000905715988 592622222 /nfs/dbraw/zinc/62/22/22/592622222.db2.gz NFTDPOLQNDOEGI-HUUCEWRRSA-N 2 2 342.447 1.307 20 0 EDADLP CC[C@](O)(C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1)C(F)(F)F ZINC000905930942 592687144 /nfs/dbraw/zinc/68/71/44/592687144.db2.gz IQBITXWFNVGRCT-AWEZNQCLSA-N 2 2 333.354 1.916 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)NC[C@@H]3CC[NH+](C4CC4)C3)co2)C1 ZINC000906361442 592804761 /nfs/dbraw/zinc/80/47/61/592804761.db2.gz HPYJBCMKOKDQJM-ZFWWWQNUSA-N 2 2 348.447 1.109 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)NC[C@@H]3CC[NH+](C4CC4)C3)co2)C1 ZINC000906361442 592804762 /nfs/dbraw/zinc/80/47/62/592804762.db2.gz HPYJBCMKOKDQJM-ZFWWWQNUSA-N 2 2 348.447 1.109 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)co2)C1 ZINC000906361442 592804766 /nfs/dbraw/zinc/80/47/66/592804766.db2.gz HPYJBCMKOKDQJM-ZFWWWQNUSA-N 2 2 348.447 1.109 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)co2)C1 ZINC000906361442 592804770 /nfs/dbraw/zinc/80/47/70/592804770.db2.gz HPYJBCMKOKDQJM-ZFWWWQNUSA-N 2 2 348.447 1.109 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000906593207 592856009 /nfs/dbraw/zinc/85/60/09/592856009.db2.gz QYPWPWVMFAZYLU-INIZCTEOSA-N 2 2 333.480 1.186 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000906593207 592856011 /nfs/dbraw/zinc/85/60/11/592856011.db2.gz QYPWPWVMFAZYLU-INIZCTEOSA-N 2 2 333.480 1.186 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000910872673 592898907 /nfs/dbraw/zinc/89/89/07/592898907.db2.gz TYAFURYOHDHFQP-KRWDZBQOSA-N 2 2 348.491 1.387 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000910872673 592898908 /nfs/dbraw/zinc/89/89/08/592898908.db2.gz TYAFURYOHDHFQP-KRWDZBQOSA-N 2 2 348.491 1.387 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000911022920 592908886 /nfs/dbraw/zinc/90/88/86/592908886.db2.gz PRXUJZCLEIBITB-MRXNPFEDSA-N 2 2 346.475 1.215 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000911022920 592908887 /nfs/dbraw/zinc/90/88/87/592908887.db2.gz PRXUJZCLEIBITB-MRXNPFEDSA-N 2 2 346.475 1.215 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000911572036 592951569 /nfs/dbraw/zinc/95/15/69/592951569.db2.gz REIFTTUHJVIUFV-HWOWSKLDSA-N 2 2 332.448 1.205 20 0 EDADLP O=C(Oc1ccccc1)N1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000733613735 592951642 /nfs/dbraw/zinc/95/16/42/592951642.db2.gz JMCPFJIOUUOWAA-QGZVFWFLSA-N 2 2 347.459 1.650 20 0 EDADLP O=C(Oc1ccccc1)N1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000733613735 592951644 /nfs/dbraw/zinc/95/16/44/592951644.db2.gz JMCPFJIOUUOWAA-QGZVFWFLSA-N 2 2 347.459 1.650 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000911575647 592952340 /nfs/dbraw/zinc/95/23/40/592952340.db2.gz JJIWFPWOJOBSIN-UHFFFAOYSA-N 2 2 345.447 1.236 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000912207175 593072066 /nfs/dbraw/zinc/07/20/66/593072066.db2.gz LAJSGKMJIZTOKG-UHFFFAOYSA-N 2 2 325.718 1.768 20 0 EDADLP O=C(CNc1cccc[nH+]1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000912402007 593093406 /nfs/dbraw/zinc/09/34/06/593093406.db2.gz JHZGJJURKKKBPX-UHFFFAOYSA-N 2 2 339.443 1.917 20 0 EDADLP CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000805763185 593140454 /nfs/dbraw/zinc/14/04/54/593140454.db2.gz QLKVGSMREZCKOI-JKSUJKDBSA-N 2 2 327.469 1.386 20 0 EDADLP CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000805763185 593140456 /nfs/dbraw/zinc/14/04/56/593140456.db2.gz QLKVGSMREZCKOI-JKSUJKDBSA-N 2 2 327.469 1.386 20 0 EDADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000839149278 593264642 /nfs/dbraw/zinc/26/46/42/593264642.db2.gz PTGJNWUPWXPNDB-LPHOPBHVSA-N 2 2 328.460 1.842 20 0 EDADLP C[C@@H]1CCN(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000839992929 593304293 /nfs/dbraw/zinc/30/42/93/593304293.db2.gz ZAEDRGJQERFRGP-GOSISDBHSA-N 2 2 344.503 1.562 20 0 EDADLP C[C@@H]1CCN(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000839992929 593304295 /nfs/dbraw/zinc/30/42/95/593304295.db2.gz ZAEDRGJQERFRGP-GOSISDBHSA-N 2 2 344.503 1.562 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)NCc3c[nH+]cn3C)cc2)CC1 ZINC000809869862 593366846 /nfs/dbraw/zinc/36/68/46/593366846.db2.gz CKZCEJZVWJXNTM-UHFFFAOYSA-N 2 2 342.447 1.884 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000758224373 593397235 /nfs/dbraw/zinc/39/72/35/593397235.db2.gz RJHPBFZFSHODHF-WMLDXEAASA-N 2 2 331.420 1.588 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000758224373 593397236 /nfs/dbraw/zinc/39/72/36/593397236.db2.gz RJHPBFZFSHODHF-WMLDXEAASA-N 2 2 331.420 1.588 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cn3cc(Cl)cn3)CC2)CC1 ZINC000758264219 593399233 /nfs/dbraw/zinc/39/92/33/593399233.db2.gz KSCYQWNXPMGJRE-UHFFFAOYSA-N 2 2 325.888 1.844 20 0 EDADLP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000810435819 593401604 /nfs/dbraw/zinc/40/16/04/593401604.db2.gz HSFUGGDMNNXDIH-KRWDZBQOSA-N 2 2 334.464 1.230 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000810441736 593402480 /nfs/dbraw/zinc/40/24/80/593402480.db2.gz VHDDODBYYBWLOA-ZDUSSCGKSA-N 2 2 344.419 1.051 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000810441736 593402482 /nfs/dbraw/zinc/40/24/82/593402482.db2.gz VHDDODBYYBWLOA-ZDUSSCGKSA-N 2 2 344.419 1.051 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)C1 ZINC000811760521 593479513 /nfs/dbraw/zinc/47/95/13/593479513.db2.gz MHXZOHANDRGXES-RBSFLKMASA-N 2 2 332.448 1.583 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)C1 ZINC000811760521 593479514 /nfs/dbraw/zinc/47/95/14/593479514.db2.gz MHXZOHANDRGXES-RBSFLKMASA-N 2 2 332.448 1.583 20 0 EDADLP C[C@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000811814380 593483427 /nfs/dbraw/zinc/48/34/27/593483427.db2.gz WXSQPNNKTCSLQC-PBHICJAKSA-N 2 2 329.485 1.726 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000812019650 593488483 /nfs/dbraw/zinc/48/84/83/593488483.db2.gz LBYUBNFZHGSWNW-CQSZACIVSA-N 2 2 330.436 1.795 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000812019650 593488484 /nfs/dbraw/zinc/48/84/84/593488484.db2.gz LBYUBNFZHGSWNW-CQSZACIVSA-N 2 2 330.436 1.795 20 0 EDADLP O=C1OCC[C@]12CCC[N@@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274425 593587008 /nfs/dbraw/zinc/58/70/08/593587008.db2.gz DKSXOHAMEUZWQU-LJQANCHMSA-N 2 2 330.428 1.800 20 0 EDADLP O=C1OCC[C@]12CCC[N@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817274425 593587009 /nfs/dbraw/zinc/58/70/09/593587009.db2.gz DKSXOHAMEUZWQU-LJQANCHMSA-N 2 2 330.428 1.800 20 0 EDADLP OCCCC[NH+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000817276290 593587519 /nfs/dbraw/zinc/58/75/19/593587519.db2.gz XNMIQPVQMHRMFT-UHFFFAOYSA-N 2 2 347.503 1.409 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@@H](O)c2cnn(C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000817897642 593646731 /nfs/dbraw/zinc/64/67/31/593646731.db2.gz ULBUZVYARPLYFD-KURKYZTESA-N 2 2 330.432 1.545 20 0 EDADLP CCn1nc(C)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000818614919 593708182 /nfs/dbraw/zinc/70/81/82/593708182.db2.gz IXWXGDNYRSTQKB-CRAIPNDOSA-N 2 2 327.432 1.952 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc(F)c2)C1=O ZINC000819221973 593745130 /nfs/dbraw/zinc/74/51/30/593745130.db2.gz KKCBMBNGXJAPQF-HZPDHXFCSA-N 2 2 346.406 1.373 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)S1 ZINC000820282472 593806067 /nfs/dbraw/zinc/80/60/67/593806067.db2.gz BZBFKEHLKWZZLY-CYBMUJFWSA-N 2 2 326.510 1.600 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)S1 ZINC000820282472 593806068 /nfs/dbraw/zinc/80/60/68/593806068.db2.gz BZBFKEHLKWZZLY-CYBMUJFWSA-N 2 2 326.510 1.600 20 0 EDADLP C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000820489995 593823535 /nfs/dbraw/zinc/82/35/35/593823535.db2.gz KMRYXHNEXUYQPL-OAHLLOKOSA-N 2 2 339.443 1.836 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821601361 593876411 /nfs/dbraw/zinc/87/64/11/593876411.db2.gz CTWZDVUDAUYSOP-UHFFFAOYSA-N 2 2 327.392 1.464 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1cccc(-c2nn[nH]n2)c1 ZINC000821601361 593876414 /nfs/dbraw/zinc/87/64/14/593876414.db2.gz CTWZDVUDAUYSOP-UHFFFAOYSA-N 2 2 327.392 1.464 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824546385 594036269 /nfs/dbraw/zinc/03/62/69/594036269.db2.gz IHYORNYRAKLBSU-LLVKDONJSA-N 2 2 334.399 1.113 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824568979 594039848 /nfs/dbraw/zinc/03/98/48/594039848.db2.gz FGBHULSSPIQWHQ-TZMCWYRMSA-N 2 2 348.426 1.503 20 0 EDADLP CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000824955894 594104772 /nfs/dbraw/zinc/10/47/72/594104772.db2.gz DBJRIMMHDMDFHJ-RBUKOAKNSA-N 2 2 346.519 1.856 20 0 EDADLP CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000824955894 594104773 /nfs/dbraw/zinc/10/47/73/594104773.db2.gz DBJRIMMHDMDFHJ-RBUKOAKNSA-N 2 2 346.519 1.856 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(c2[nH+]ccc(C)c2-c2nn[nH]n2)C1 ZINC000825411687 594181264 /nfs/dbraw/zinc/18/12/64/594181264.db2.gz CDSQWWDHXCSNMX-CQSZACIVSA-N 2 2 345.451 1.507 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)s1 ZINC000830109363 594338666 /nfs/dbraw/zinc/33/86/66/594338666.db2.gz QNDBDNAYENWUIF-INIZCTEOSA-N 2 2 325.453 1.656 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000826276407 594408005 /nfs/dbraw/zinc/40/80/05/594408005.db2.gz FKHWCPYVDHSFEF-UHFFFAOYSA-N 2 2 330.440 1.008 20 0 EDADLP Cc1cc[nH+]c(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1-c1nn[nH]n1 ZINC000826310423 594419048 /nfs/dbraw/zinc/41/90/48/594419048.db2.gz VILVDRRGCZCYEJ-AWEZNQCLSA-N 2 2 327.436 1.738 20 0 EDADLP Cc1cc[nH+]c(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1-c1nn[nH]n1 ZINC000826310423 594419050 /nfs/dbraw/zinc/41/90/50/594419050.db2.gz VILVDRRGCZCYEJ-AWEZNQCLSA-N 2 2 327.436 1.738 20 0 EDADLP Cc1cc([C@H]([NH3+])CC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc(Cl)n1 ZINC000828715359 594485893 /nfs/dbraw/zinc/48/58/93/594485893.db2.gz JCERAYCBYZQBBR-TZMCWYRMSA-N 2 2 340.855 1.270 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)[NH+](C)C ZINC000826563442 594526768 /nfs/dbraw/zinc/52/67/68/594526768.db2.gz GBXKQQYBYMJJRS-ROUUACIJSA-N 2 2 333.476 1.652 20 0 EDADLP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)[NH+](C)C ZINC000826563442 594526770 /nfs/dbraw/zinc/52/67/70/594526770.db2.gz GBXKQQYBYMJJRS-ROUUACIJSA-N 2 2 333.476 1.652 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000826588820 594533461 /nfs/dbraw/zinc/53/34/61/594533461.db2.gz CFEBUMQJIPVXMF-MRXNPFEDSA-N 2 2 328.416 1.278 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000826588820 594533464 /nfs/dbraw/zinc/53/34/64/594533464.db2.gz CFEBUMQJIPVXMF-MRXNPFEDSA-N 2 2 328.416 1.278 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[C@@H]([NH3+])C3CC3)c2)CC1 ZINC000832020805 594720058 /nfs/dbraw/zinc/72/00/58/594720058.db2.gz GZFCEAPQNSQSEW-GOSISDBHSA-N 2 2 344.459 1.417 20 0 EDADLP CC(C)n1cc2c(n1)[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])CCC2 ZINC000841878690 594972357 /nfs/dbraw/zinc/97/23/57/594972357.db2.gz SINVQEXDFRDJLR-CABCVRRESA-N 2 2 334.468 1.126 20 0 EDADLP CC(C)n1cc2c(n1)[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])CCC2 ZINC000841878690 594972358 /nfs/dbraw/zinc/97/23/58/594972358.db2.gz SINVQEXDFRDJLR-CABCVRRESA-N 2 2 334.468 1.126 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3noc(C[C@H]4C[NH2+]CCO4)n3)C2)cc1 ZINC000843204343 595033043 /nfs/dbraw/zinc/03/30/43/595033043.db2.gz FNGPVPFGMSSNHB-HOTGVXAUSA-N 2 2 344.415 1.174 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3noc(C[C@H]4C[NH2+]CCO4)n3)C2)cc1 ZINC000843204343 595033046 /nfs/dbraw/zinc/03/30/46/595033046.db2.gz FNGPVPFGMSSNHB-HOTGVXAUSA-N 2 2 344.415 1.174 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](CC(C)(C)C)C3=O)C2)CC1 ZINC000843312397 595071584 /nfs/dbraw/zinc/07/15/84/595071584.db2.gz YPBRHTNQTMAKKU-CABCVRRESA-N 2 2 336.480 1.512 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](CC(C)(C)C)C3=O)C2)CC1 ZINC000843312397 595071588 /nfs/dbraw/zinc/07/15/88/595071588.db2.gz YPBRHTNQTMAKKU-CABCVRRESA-N 2 2 336.480 1.512 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc2ccccc2c1 ZINC000843349246 595082742 /nfs/dbraw/zinc/08/27/42/595082742.db2.gz ODEQBQRZDSWTTQ-UHFFFAOYSA-N 2 2 326.444 1.615 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc2ccccc2c1 ZINC000843349246 595082747 /nfs/dbraw/zinc/08/27/47/595082747.db2.gz ODEQBQRZDSWTTQ-UHFFFAOYSA-N 2 2 326.444 1.615 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000843361012 595087771 /nfs/dbraw/zinc/08/77/71/595087771.db2.gz QETHILJKQDIXNR-HMQMGEFJSA-N 2 2 329.444 1.451 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000843361012 595087775 /nfs/dbraw/zinc/08/77/75/595087775.db2.gz QETHILJKQDIXNR-HMQMGEFJSA-N 2 2 329.444 1.451 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000843368447 595089677 /nfs/dbraw/zinc/08/96/77/595089677.db2.gz SCRJUKYAZPJRLU-IACUBPJLSA-N 2 2 327.450 1.089 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000843368447 595089679 /nfs/dbraw/zinc/08/96/79/595089679.db2.gz SCRJUKYAZPJRLU-IACUBPJLSA-N 2 2 327.450 1.089 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843368389 595089765 /nfs/dbraw/zinc/08/97/65/595089765.db2.gz RMIPDKDYTGRHEN-LJQANCHMSA-N 2 2 341.411 1.937 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843368389 595089767 /nfs/dbraw/zinc/08/97/67/595089767.db2.gz RMIPDKDYTGRHEN-LJQANCHMSA-N 2 2 341.411 1.937 20 0 EDADLP COc1cccc([C@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c32)[NH+](C)C)c1 ZINC000837353613 595090895 /nfs/dbraw/zinc/09/08/95/595090895.db2.gz UXZASMKWXMCDAA-CVEARBPZSA-N 2 2 343.431 1.939 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843380192 595094725 /nfs/dbraw/zinc/09/47/25/595094725.db2.gz QXAASWLHKDIAEU-QGZVFWFLSA-N 2 2 329.404 1.283 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843380192 595094727 /nfs/dbraw/zinc/09/47/27/595094727.db2.gz QXAASWLHKDIAEU-QGZVFWFLSA-N 2 2 329.404 1.283 20 0 EDADLP O=C(N1CCc2c([nH+]cn2CCc2ccccc2)C1)[C@]1(F)CC[NH2+]C1 ZINC000843494581 595129826 /nfs/dbraw/zinc/12/98/26/595129826.db2.gz KIJMISXGEUNRQK-IBGZPJMESA-N 2 2 342.418 1.712 20 0 EDADLP [NH3+]CCc1noc(-c2cccc(NC(=O)CCn3cc[nH+]c3)c2)n1 ZINC000843130724 595293566 /nfs/dbraw/zinc/29/35/66/595293566.db2.gz IBIQCYNXRRDLMN-UHFFFAOYSA-N 2 2 326.360 1.463 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000844219939 595305682 /nfs/dbraw/zinc/30/56/82/595305682.db2.gz OYGJDWMAKNJLBR-YOEHRIQHSA-N 2 2 332.448 1.131 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000844219939 595305684 /nfs/dbraw/zinc/30/56/84/595305684.db2.gz OYGJDWMAKNJLBR-YOEHRIQHSA-N 2 2 332.448 1.131 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844220388 595305715 /nfs/dbraw/zinc/30/57/15/595305715.db2.gz VPIRFMXQMDSURX-JKSUJKDBSA-N 2 2 346.475 1.521 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844220388 595305717 /nfs/dbraw/zinc/30/57/17/595305717.db2.gz VPIRFMXQMDSURX-JKSUJKDBSA-N 2 2 346.475 1.521 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846878332 595331386 /nfs/dbraw/zinc/33/13/86/595331386.db2.gz PKAWTFVBYRUIMX-INIZCTEOSA-N 2 2 330.432 1.588 20 0 EDADLP O=c1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c2ccc(O)cc2o1 ZINC000846877730 595331460 /nfs/dbraw/zinc/33/14/60/595331460.db2.gz NELIALNIOBUZEC-UHFFFAOYSA-N 2 2 326.356 1.544 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCCOC1 ZINC000844402603 595337768 /nfs/dbraw/zinc/33/77/68/595337768.db2.gz BTDXCALITJXCEO-INIZCTEOSA-N 2 2 335.448 1.425 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCCOC1 ZINC000844402603 595337772 /nfs/dbraw/zinc/33/77/72/595337772.db2.gz BTDXCALITJXCEO-INIZCTEOSA-N 2 2 335.448 1.425 20 0 EDADLP O=C1[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CN1C[N@H+]1CC[C@H](F)C1 ZINC000844710326 595381102 /nfs/dbraw/zinc/38/11/02/595381102.db2.gz YDLIITCQIOEYJG-BZSNNMDCSA-N 2 2 331.435 1.968 20 0 EDADLP O=C1[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CN1C[N@@H+]1CC[C@H](F)C1 ZINC000844710326 595381105 /nfs/dbraw/zinc/38/11/05/595381105.db2.gz YDLIITCQIOEYJG-BZSNNMDCSA-N 2 2 331.435 1.968 20 0 EDADLP O=C1[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CN1C[NH+]1CC[C@H](F)C1 ZINC000844710326 595381109 /nfs/dbraw/zinc/38/11/09/595381109.db2.gz YDLIITCQIOEYJG-BZSNNMDCSA-N 2 2 331.435 1.968 20 0 EDADLP O=C1[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CN1C[NH+]1CC[C@H](F)C1 ZINC000844710326 595381112 /nfs/dbraw/zinc/38/11/12/595381112.db2.gz YDLIITCQIOEYJG-BZSNNMDCSA-N 2 2 331.435 1.968 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cn1cc(-c2ccncn2)cn1 ZINC000848482528 595391331 /nfs/dbraw/zinc/39/13/31/595391331.db2.gz OIBWDJKJCHCESF-NJAFHUGGSA-N 2 2 342.447 1.481 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cn1cc(-c2ccncn2)cn1 ZINC000848482528 595391334 /nfs/dbraw/zinc/39/13/34/595391334.db2.gz OIBWDJKJCHCESF-NJAFHUGGSA-N 2 2 342.447 1.481 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000844901470 595410763 /nfs/dbraw/zinc/41/07/63/595410763.db2.gz FSGDSGRDHJAFEJ-KSZLIROESA-N 3 2 341.459 1.986 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)[C@H](c2cnn(C)c2)C1 ZINC000849529776 595559789 /nfs/dbraw/zinc/55/97/89/595559789.db2.gz JWDOEPZEZIRXRV-CABCVRRESA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2[nH]cc[nH+]2)[C@H](c2cnn(C)c2)C1 ZINC000849529776 595559791 /nfs/dbraw/zinc/55/97/91/595559791.db2.gz JWDOEPZEZIRXRV-CABCVRRESA-N 2 2 330.436 1.274 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)C3=NO[C@H](C[NH3+])C3)ccc2n1C1CC1 ZINC000852890967 595601110 /nfs/dbraw/zinc/60/11/10/595601110.db2.gz NMADJORIHUVICD-ZDUSSCGKSA-N 2 2 341.415 1.653 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)cn2)CC1 ZINC000857847493 595631598 /nfs/dbraw/zinc/63/15/98/595631598.db2.gz PCMWBXNUYBUZGY-INIZCTEOSA-N 2 2 326.448 1.724 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cn2)CC1 ZINC000857847493 595631602 /nfs/dbraw/zinc/63/16/02/595631602.db2.gz PCMWBXNUYBUZGY-INIZCTEOSA-N 2 2 326.448 1.724 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H](O)c1cccc(F)c1 ZINC000855415330 595704691 /nfs/dbraw/zinc/70/46/91/595704691.db2.gz VHLWSWRXCOZLAH-INIZCTEOSA-N 2 2 325.428 1.249 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H](O)c1cccc(F)c1 ZINC000855415330 595704695 /nfs/dbraw/zinc/70/46/95/595704695.db2.gz VHLWSWRXCOZLAH-INIZCTEOSA-N 2 2 325.428 1.249 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)n1C ZINC000850071240 595733032 /nfs/dbraw/zinc/73/30/32/595733032.db2.gz OZYKRMSXWGQWOK-CYBMUJFWSA-N 2 2 331.342 1.392 20 0 EDADLP CCOc1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)ccc1OC(=O)CC ZINC000858298106 595757225 /nfs/dbraw/zinc/75/72/25/595757225.db2.gz MQXBHAMZGIBDGU-OAHLLOKOSA-N 2 2 336.432 1.557 20 0 EDADLP CCOc1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)ccc1OC(=O)CC ZINC000858298106 595757228 /nfs/dbraw/zinc/75/72/28/595757228.db2.gz MQXBHAMZGIBDGU-OAHLLOKOSA-N 2 2 336.432 1.557 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)c1 ZINC000858313566 595761372 /nfs/dbraw/zinc/76/13/72/595761372.db2.gz LQQFGVNBKWMJDU-UHFFFAOYSA-N 2 2 343.427 1.913 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(Cl)[nH]c(=O)n3)CC2)CC1 ZINC000858453154 595798919 /nfs/dbraw/zinc/79/89/19/595798919.db2.gz SMZONVZCZBFSKG-UHFFFAOYSA-N 2 2 339.871 1.830 20 0 EDADLP Cc1c[nH+]cn1CC(=O)O[C@H](C)[C@@H](C)OC(=O)Cn1c[nH+]cc1C ZINC000860827447 595810086 /nfs/dbraw/zinc/81/00/86/595810086.db2.gz JRGBTGMWWZTZMP-ZIAGYGMSSA-N 2 2 334.376 1.260 20 0 EDADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC([NH+]2CCOCC2)CC1 ZINC000858631485 595850843 /nfs/dbraw/zinc/85/08/43/595850843.db2.gz DVXKLZMOXNIGSU-UHFFFAOYSA-N 2 2 344.463 1.882 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000851654543 595869762 /nfs/dbraw/zinc/86/97/62/595869762.db2.gz DLHODBCEFNZLOY-HIFRSBDPSA-N 2 2 328.420 1.536 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000851948161 595982178 /nfs/dbraw/zinc/98/21/78/595982178.db2.gz RLFUVOKFYQJJHS-HNNXBMFYSA-N 2 2 342.447 1.939 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000851948161 595982181 /nfs/dbraw/zinc/98/21/81/595982181.db2.gz RLFUVOKFYQJJHS-HNNXBMFYSA-N 2 2 342.447 1.939 20 0 EDADLP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000854170161 595998764 /nfs/dbraw/zinc/99/87/64/595998764.db2.gz OECJJWVHHCTHHU-UHFFFAOYSA-N 2 2 343.431 1.663 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cn(C)nn3)C2)ccn1 ZINC000856553674 596017469 /nfs/dbraw/zinc/01/74/69/596017469.db2.gz NVMMHHCLXDFMHP-KRWDZBQOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cn(C)nn3)C2)ccn1 ZINC000856553674 596017473 /nfs/dbraw/zinc/01/74/73/596017473.db2.gz NVMMHHCLXDFMHP-KRWDZBQOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cn(C)nn3)C2)ccn1 ZINC000856553674 596017477 /nfs/dbraw/zinc/01/74/77/596017477.db2.gz NVMMHHCLXDFMHP-KRWDZBQOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cn(C)nn3)C2)ccn1 ZINC000856553674 596017481 /nfs/dbraw/zinc/01/74/81/596017481.db2.gz NVMMHHCLXDFMHP-KRWDZBQOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nnc(C)o3)C2)ccn1 ZINC000856584877 596023304 /nfs/dbraw/zinc/02/33/04/596023304.db2.gz TZUZWIQWNNHEJE-MRXNPFEDSA-N 2 2 331.420 1.878 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nnc(C)o3)C2)ccn1 ZINC000856584877 596023309 /nfs/dbraw/zinc/02/33/09/596023309.db2.gz TZUZWIQWNNHEJE-MRXNPFEDSA-N 2 2 331.420 1.878 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nnc(C)o3)C2)ccn1 ZINC000856584877 596023314 /nfs/dbraw/zinc/02/33/14/596023314.db2.gz TZUZWIQWNNHEJE-MRXNPFEDSA-N 2 2 331.420 1.878 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C2)ccn1 ZINC000856584877 596023319 /nfs/dbraw/zinc/02/33/19/596023319.db2.gz TZUZWIQWNNHEJE-MRXNPFEDSA-N 2 2 331.420 1.878 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H]3CCOC3=O)C2)ccn1 ZINC000856600257 596030488 /nfs/dbraw/zinc/03/04/88/596030488.db2.gz RYIVEFDAIZFSLS-SJORKVTESA-N 2 2 333.432 1.690 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H]3CCOC3=O)C2)ccn1 ZINC000856600257 596030493 /nfs/dbraw/zinc/03/04/93/596030493.db2.gz RYIVEFDAIZFSLS-SJORKVTESA-N 2 2 333.432 1.690 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)ccn1 ZINC000856600257 596030499 /nfs/dbraw/zinc/03/04/99/596030499.db2.gz RYIVEFDAIZFSLS-SJORKVTESA-N 2 2 333.432 1.690 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H]3CCOC3=O)C2)ccn1 ZINC000856600257 596030504 /nfs/dbraw/zinc/03/05/04/596030504.db2.gz RYIVEFDAIZFSLS-SJORKVTESA-N 2 2 333.432 1.690 20 0 EDADLP C[NH+](C)CCCCC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856610101 596033585 /nfs/dbraw/zinc/03/35/85/596033585.db2.gz MDQRMCOORMLIHH-JKSUJKDBSA-N 2 2 332.448 1.095 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2cnc(Br)cn2)CC1 ZINC000856733749 596064386 /nfs/dbraw/zinc/06/43/86/596064386.db2.gz GAOZZJWVGWZHJX-UHFFFAOYSA-N 2 2 328.258 1.677 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000854478650 596093448 /nfs/dbraw/zinc/09/34/48/596093448.db2.gz XGPNGDQLLNPKQN-UHFFFAOYSA-N 2 2 329.404 1.871 20 0 EDADLP O[C@H](CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000852340099 596130967 /nfs/dbraw/zinc/13/09/67/596130967.db2.gz VVJSHGWTOIPAGC-ZCNNSNEGSA-N 2 2 345.487 1.028 20 0 EDADLP O[C@H](CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000852340099 596130969 /nfs/dbraw/zinc/13/09/69/596130969.db2.gz VVJSHGWTOIPAGC-ZCNNSNEGSA-N 2 2 345.487 1.028 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861985479 596170155 /nfs/dbraw/zinc/17/01/55/596170155.db2.gz WLIGOHYBVPZJQA-UHFFFAOYSA-N 2 2 328.416 1.661 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)Cc3ccc[nH+]c3N2C1 ZINC000870537155 596274745 /nfs/dbraw/zinc/27/47/45/596274745.db2.gz SMDJAUCAWBLDNE-XLNGHYISSA-N 2 2 344.459 1.358 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)Cc3ccc[nH+]c3N2C1 ZINC000870537155 596274749 /nfs/dbraw/zinc/27/47/49/596274749.db2.gz SMDJAUCAWBLDNE-XLNGHYISSA-N 2 2 344.459 1.358 20 0 EDADLP COc1c(C)c[nH+]c(CNS(=O)(=O)CC2([NH+](C)C)CC2)c1C ZINC000866677718 596290572 /nfs/dbraw/zinc/29/05/72/596290572.db2.gz CCTQHIBQSFDARY-UHFFFAOYSA-N 2 2 327.450 1.221 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000866716898 596308085 /nfs/dbraw/zinc/30/80/85/596308085.db2.gz UEPLZTLPPOZXTJ-NHYWBVRUSA-N 2 2 329.404 1.281 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000866716898 596308087 /nfs/dbraw/zinc/30/80/87/596308087.db2.gz UEPLZTLPPOZXTJ-NHYWBVRUSA-N 2 2 329.404 1.281 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000864762789 596342853 /nfs/dbraw/zinc/34/28/53/596342853.db2.gz HLEFZKKZZOWDRL-QBUQCISBSA-N 2 2 343.471 1.828 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC[NH2+]CC2CC2)[NH+]2CCOCC2)cc1 ZINC000870870395 596384706 /nfs/dbraw/zinc/38/47/06/596384706.db2.gz SOBFAMRENNFQAB-LJQANCHMSA-N 2 2 345.487 1.874 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCOCC2)cc1 ZINC000862756029 596405627 /nfs/dbraw/zinc/40/56/27/596405627.db2.gz NWGFHRSEWPXXCK-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCOCC2)cc1 ZINC000862756029 596405629 /nfs/dbraw/zinc/40/56/29/596405629.db2.gz NWGFHRSEWPXXCK-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000864925068 596418187 /nfs/dbraw/zinc/41/81/87/596418187.db2.gz MUQVSCWBJOYYNU-RMKNXTFCSA-N 2 2 345.487 1.508 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000870979819 596427834 /nfs/dbraw/zinc/42/78/34/596427834.db2.gz TZCXVKMRNUKROC-PKOBYXMFSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000870979819 596427836 /nfs/dbraw/zinc/42/78/36/596427836.db2.gz TZCXVKMRNUKROC-PKOBYXMFSA-N 2 2 345.487 1.702 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000870990239 596431786 /nfs/dbraw/zinc/43/17/86/596431786.db2.gz WIGGIRRQWKHDJV-VQIMIIECSA-N 2 2 337.508 1.853 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000870990239 596431787 /nfs/dbraw/zinc/43/17/87/596431787.db2.gz WIGGIRRQWKHDJV-VQIMIIECSA-N 2 2 337.508 1.853 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000867580564 596441883 /nfs/dbraw/zinc/44/18/83/596441883.db2.gz APXPDJHVYBSHBS-UHFFFAOYSA-N 2 2 337.489 1.086 20 0 EDADLP O=C([C@@H]1CCC[NH+](CC(F)F)C1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000869299138 596478891 /nfs/dbraw/zinc/47/88/91/596478891.db2.gz LKONVCUYFHCHLQ-UKRRQHHQSA-N 2 2 345.434 1.021 20 0 EDADLP O=C([C@@H]1CCC[NH+](CC(F)F)C1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000869299138 596478893 /nfs/dbraw/zinc/47/88/93/596478893.db2.gz LKONVCUYFHCHLQ-UKRRQHHQSA-N 2 2 345.434 1.021 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000869299138 596478895 /nfs/dbraw/zinc/47/88/95/596478895.db2.gz LKONVCUYFHCHLQ-UKRRQHHQSA-N 2 2 345.434 1.021 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000869299138 596478896 /nfs/dbraw/zinc/47/88/96/596478896.db2.gz LKONVCUYFHCHLQ-UKRRQHHQSA-N 2 2 345.434 1.021 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000871280204 596520117 /nfs/dbraw/zinc/52/01/17/596520117.db2.gz DPVKGOJLPVGNPU-INIZCTEOSA-N 2 2 328.416 1.278 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000871280204 596520120 /nfs/dbraw/zinc/52/01/20/596520120.db2.gz DPVKGOJLPVGNPU-INIZCTEOSA-N 2 2 328.416 1.278 20 0 EDADLP CCCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)nn1 ZINC000865415526 596567837 /nfs/dbraw/zinc/56/78/37/596567837.db2.gz MCPHIKTULAJEMJ-UHFFFAOYSA-N 2 2 343.479 1.515 20 0 EDADLP C[C@H](O)c1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH+]c1 ZINC000865436638 596574345 /nfs/dbraw/zinc/57/43/45/596574345.db2.gz MADBZBONALKANN-KBXCAEBGSA-N 2 2 327.428 1.966 20 0 EDADLP C[C@H](O)c1ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]c1 ZINC000865436638 596574347 /nfs/dbraw/zinc/57/43/47/596574347.db2.gz MADBZBONALKANN-KBXCAEBGSA-N 2 2 327.428 1.966 20 0 EDADLP C[N@H+](CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000871419837 596577247 /nfs/dbraw/zinc/57/72/47/596577247.db2.gz NYNLMQKYTFSSRZ-HZPDHXFCSA-N 2 2 346.500 1.830 20 0 EDADLP C[N@@H+](CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000871419837 596577249 /nfs/dbraw/zinc/57/72/49/596577249.db2.gz NYNLMQKYTFSSRZ-HZPDHXFCSA-N 2 2 346.500 1.830 20 0 EDADLP C[C@H](C(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1)[NH+]1CCSCC1 ZINC000871419817 596577480 /nfs/dbraw/zinc/57/74/80/596577480.db2.gz LYPRDFJFGCYTBI-GDBMZVCRSA-N 2 2 346.500 1.830 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000865456703 596580935 /nfs/dbraw/zinc/58/09/35/596580935.db2.gz PZTGBUPJFKWBRQ-UHFFFAOYSA-N 2 2 346.431 1.566 20 0 EDADLP CC(C)(C)c1cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)no1 ZINC000863546413 596613853 /nfs/dbraw/zinc/61/38/53/596613853.db2.gz DKUHBGSGUMCSAU-CABCVRRESA-N 2 2 348.447 1.729 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000863549815 596614706 /nfs/dbraw/zinc/61/47/06/596614706.db2.gz RTJHLCLLLPKXNN-KGLIPLIRSA-N 2 2 336.823 1.492 20 0 EDADLP C[NH+](C)CCCOc1ccc(NC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000865573014 596614972 /nfs/dbraw/zinc/61/49/72/596614972.db2.gz GXEKROHWHCTCIB-HYXAFXHYSA-N 2 2 347.459 1.844 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000867931137 596621188 /nfs/dbraw/zinc/62/11/88/596621188.db2.gz KJYNSNIMJUKDTD-UHFFFAOYSA-N 2 2 348.422 1.585 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000867931137 596621191 /nfs/dbraw/zinc/62/11/91/596621191.db2.gz KJYNSNIMJUKDTD-UHFFFAOYSA-N 2 2 348.422 1.585 20 0 EDADLP COC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000863573191 596623095 /nfs/dbraw/zinc/62/30/95/596623095.db2.gz SWMCXIWOFFTRHC-CVEARBPZSA-N 2 2 343.427 1.865 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863582825 596626914 /nfs/dbraw/zinc/62/69/14/596626914.db2.gz UXTDSFQRUFNJGN-QAPCUYQASA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000863582825 596626918 /nfs/dbraw/zinc/62/69/18/596626918.db2.gz UXTDSFQRUFNJGN-QAPCUYQASA-N 2 2 341.496 1.869 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869814011 596646056 /nfs/dbraw/zinc/64/60/56/596646056.db2.gz CZFGMOQDTSMCPP-QGZVFWFLSA-N 2 2 336.439 1.790 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC[C@H]21 ZINC000868023140 596659161 /nfs/dbraw/zinc/65/91/61/596659161.db2.gz CMXBEJYEEAMBDC-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC[C@H]21 ZINC000868023140 596659162 /nfs/dbraw/zinc/65/91/62/596659162.db2.gz CMXBEJYEEAMBDC-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC(F)(F)C(F)(F)F)C2)CC1 ZINC000865750786 596670584 /nfs/dbraw/zinc/67/05/84/596670584.db2.gz SMGOSRPVYDAAOA-SNVBAGLBSA-N 2 2 343.340 1.859 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC(F)(F)C(F)(F)F)C2)CC1 ZINC000865750786 596670586 /nfs/dbraw/zinc/67/05/86/596670586.db2.gz SMGOSRPVYDAAOA-SNVBAGLBSA-N 2 2 343.340 1.859 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)Cc2cn3cc(F)ccc3[nH+]2)n1C ZINC000865780532 596680976 /nfs/dbraw/zinc/68/09/76/596680976.db2.gz MIWBUKIKDWRAFT-UHFFFAOYSA-N 2 2 330.367 1.132 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N(CC[NH3+])Cc3ccccc3)cc2C1 ZINC000868203453 596722243 /nfs/dbraw/zinc/72/22/43/596722243.db2.gz DHAGFFCWKQBMJS-UHFFFAOYSA-N 2 2 328.420 1.321 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N(CC[NH3+])Cc3ccccc3)cc2C1 ZINC000868203453 596722245 /nfs/dbraw/zinc/72/22/45/596722245.db2.gz DHAGFFCWKQBMJS-UHFFFAOYSA-N 2 2 328.420 1.321 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[NH2+]2)c1 ZINC000870152227 596775871 /nfs/dbraw/zinc/77/58/71/596775871.db2.gz INRHKJJSLLLYCU-QAPCUYQASA-N 2 2 340.427 1.627 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872149936 596812919 /nfs/dbraw/zinc/81/29/19/596812919.db2.gz PIYPUWPLUUHYLQ-BBBLOLIVSA-N 2 2 338.374 1.068 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872149936 596812920 /nfs/dbraw/zinc/81/29/20/596812920.db2.gz PIYPUWPLUUHYLQ-BBBLOLIVSA-N 2 2 338.374 1.068 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@H]1C(F)(F)F ZINC000872150978 596813392 /nfs/dbraw/zinc/81/33/92/596813392.db2.gz IAXBJHUTIYWBBN-OLZOCXBDSA-N 2 2 325.338 1.836 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@H]1C(F)(F)F ZINC000872150978 596813395 /nfs/dbraw/zinc/81/33/95/596813395.db2.gz IAXBJHUTIYWBBN-OLZOCXBDSA-N 2 2 325.338 1.836 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)c1 ZINC000872153276 596814263 /nfs/dbraw/zinc/81/42/63/596814263.db2.gz GNDCVKOPWFCXGP-YZVOILCLSA-N 2 2 344.459 1.881 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)c1 ZINC000872153276 596814264 /nfs/dbraw/zinc/81/42/64/596814264.db2.gz GNDCVKOPWFCXGP-YZVOILCLSA-N 2 2 344.459 1.881 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C)c3[nH+]cccc3C2)C[N@@H+]1C1CC1 ZINC000868383508 596814390 /nfs/dbraw/zinc/81/43/90/596814390.db2.gz VJLZSGRYYUJSOK-UKRRQHHQSA-N 2 2 329.448 1.668 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(C)c3[nH+]cccc3C2)C[N@H+]1C1CC1 ZINC000868383508 596814393 /nfs/dbraw/zinc/81/43/93/596814393.db2.gz VJLZSGRYYUJSOK-UKRRQHHQSA-N 2 2 329.448 1.668 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)c1cc(N2CCCC2)[nH+]cn1 ZINC000866255711 596839182 /nfs/dbraw/zinc/83/91/82/596839182.db2.gz CPEZJEITIFYYTQ-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCOC2CCOCC2)CC1 ZINC000866354376 596864722 /nfs/dbraw/zinc/86/47/22/596864722.db2.gz ZRMKHFYRAMSVGW-UHFFFAOYSA-N 2 2 341.496 1.104 20 0 EDADLP CN1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)Cc2ccc[nH+]c21 ZINC000872314380 596878163 /nfs/dbraw/zinc/87/81/63/596878163.db2.gz BTADHCDBCFPBRS-CQSZACIVSA-N 2 2 328.338 1.402 20 0 EDADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000874042040 596905550 /nfs/dbraw/zinc/90/55/50/596905550.db2.gz QWNNPFBYWPPZAR-UHFFFAOYSA-N 2 2 344.503 1.536 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000875610059 596917791 /nfs/dbraw/zinc/91/77/91/596917791.db2.gz WASPAAVPBBQYAT-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000875610059 596917793 /nfs/dbraw/zinc/91/77/93/596917793.db2.gz WASPAAVPBBQYAT-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875610059 596917796 /nfs/dbraw/zinc/91/77/96/596917796.db2.gz WASPAAVPBBQYAT-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875610059 596917800 /nfs/dbraw/zinc/91/78/00/596917800.db2.gz WASPAAVPBBQYAT-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000875649267 596933487 /nfs/dbraw/zinc/93/34/87/596933487.db2.gz HJCZEMGVRMKOPM-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000875649267 596933491 /nfs/dbraw/zinc/93/34/91/596933491.db2.gz HJCZEMGVRMKOPM-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)C1 ZINC000872804724 597077670 /nfs/dbraw/zinc/07/76/70/597077670.db2.gz NSJYEAOPPUIPEJ-BXUZGUMPSA-N 2 2 330.354 1.968 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)C1 ZINC000872804724 597077673 /nfs/dbraw/zinc/07/76/73/597077673.db2.gz NSJYEAOPPUIPEJ-BXUZGUMPSA-N 2 2 330.354 1.968 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000876207269 597136628 /nfs/dbraw/zinc/13/66/28/597136628.db2.gz RTNXVBJAVHTHOD-KRWDZBQOSA-N 2 2 346.475 1.271 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000876207269 597136629 /nfs/dbraw/zinc/13/66/29/597136629.db2.gz RTNXVBJAVHTHOD-KRWDZBQOSA-N 2 2 346.475 1.271 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000876207269 597136631 /nfs/dbraw/zinc/13/66/31/597136631.db2.gz RTNXVBJAVHTHOD-KRWDZBQOSA-N 2 2 346.475 1.271 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000876207269 597136633 /nfs/dbraw/zinc/13/66/33/597136633.db2.gz RTNXVBJAVHTHOD-KRWDZBQOSA-N 2 2 346.475 1.271 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@H]3[C@@H]1CCC[N@H+]3C)n2C ZINC000874834199 597190679 /nfs/dbraw/zinc/19/06/79/597190679.db2.gz QWXRCIHPSDGSDJ-KBPBESRZSA-N 2 2 342.447 1.343 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000875092088 597278032 /nfs/dbraw/zinc/27/80/32/597278032.db2.gz RSIWWGABJMDNGL-GOSISDBHSA-N 2 2 348.491 1.658 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000875092088 597278034 /nfs/dbraw/zinc/27/80/34/597278034.db2.gz RSIWWGABJMDNGL-GOSISDBHSA-N 2 2 348.491 1.658 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876711562 597298474 /nfs/dbraw/zinc/29/84/74/597298474.db2.gz ZZLUNHZYEQTBJK-WEUIAVRCSA-N 2 2 343.471 1.415 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876711562 597298476 /nfs/dbraw/zinc/29/84/76/597298476.db2.gz ZZLUNHZYEQTBJK-WEUIAVRCSA-N 2 2 343.471 1.415 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875190143 597320928 /nfs/dbraw/zinc/32/09/28/597320928.db2.gz ZZKZMWLBOQZPAK-AWEZNQCLSA-N 2 2 342.447 1.884 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000876782296 597338846 /nfs/dbraw/zinc/33/88/46/597338846.db2.gz OHFRONCJAHGOTM-RHSMWYFYSA-N 2 2 344.459 1.991 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000876782296 597338849 /nfs/dbraw/zinc/33/88/49/597338849.db2.gz OHFRONCJAHGOTM-RHSMWYFYSA-N 2 2 344.459 1.991 20 0 EDADLP CN(OCC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875295760 597373113 /nfs/dbraw/zinc/37/31/13/597373113.db2.gz VFYXVOLZUHXXOE-LLVKDONJSA-N 2 2 338.374 1.290 20 0 EDADLP CN(OCC(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875295760 597373118 /nfs/dbraw/zinc/37/31/18/597373118.db2.gz VFYXVOLZUHXXOE-LLVKDONJSA-N 2 2 338.374 1.290 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000876956859 597396284 /nfs/dbraw/zinc/39/62/84/597396284.db2.gz QLFCPGQTFACVQL-OAHLLOKOSA-N 2 2 336.461 1.735 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000877032142 597417558 /nfs/dbraw/zinc/41/75/58/597417558.db2.gz ZOSWKTKXENLTCE-GOSISDBHSA-N 3 2 339.524 1.455 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CC(C)(C)CO2)CC1 ZINC000875428443 597424527 /nfs/dbraw/zinc/42/45/27/597424527.db2.gz INRPUDIHAHTRCV-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+]1CCC2(CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)CC2)CC1 ZINC000875511821 597460110 /nfs/dbraw/zinc/46/01/10/597460110.db2.gz XNVXLCBWEQHDJH-HNNXBMFYSA-N 2 2 331.464 1.715 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000875535648 597468513 /nfs/dbraw/zinc/46/85/13/597468513.db2.gz QXDMZPAQPFFVCN-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000875535648 597468517 /nfs/dbraw/zinc/46/85/17/597468517.db2.gz QXDMZPAQPFFVCN-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000875535648 597468518 /nfs/dbraw/zinc/46/85/18/597468518.db2.gz QXDMZPAQPFFVCN-RDJZCZTQSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])COC(C)C)C1 ZINC000877228941 597468909 /nfs/dbraw/zinc/46/89/09/597468909.db2.gz GSNGCLFIIIDRQX-MSOLQXFVSA-N 2 2 349.475 1.064 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])COC(C)C)C1 ZINC000877228941 597468912 /nfs/dbraw/zinc/46/89/12/597468912.db2.gz GSNGCLFIIIDRQX-MSOLQXFVSA-N 2 2 349.475 1.064 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3c[nH+]ccc3N)C2)c1 ZINC000877248269 597478368 /nfs/dbraw/zinc/47/83/68/597478368.db2.gz JERKYAYHTKMDRB-INIZCTEOSA-N 2 2 340.427 1.433 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3c[nH+]ccc3N)C2)c1 ZINC000877248269 597478369 /nfs/dbraw/zinc/47/83/69/597478369.db2.gz JERKYAYHTKMDRB-INIZCTEOSA-N 2 2 340.427 1.433 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)C2)c1 ZINC000877248603 597478936 /nfs/dbraw/zinc/47/89/36/597478936.db2.gz OAKQYRZRJAYLMG-QRQLOZEOSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)C2)c1 ZINC000877248603 597478937 /nfs/dbraw/zinc/47/89/37/597478937.db2.gz OAKQYRZRJAYLMG-QRQLOZEOSA-N 2 2 345.487 1.700 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000877375046 597504396 /nfs/dbraw/zinc/50/43/96/597504396.db2.gz SCVXZVGASWQFFG-PKOBYXMFSA-N 2 2 329.444 1.200 20 0 EDADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(S(N)(=O)=O)c1 ZINC000877526667 597531224 /nfs/dbraw/zinc/53/12/24/597531224.db2.gz ILVLPQHBKCAKKX-UHFFFAOYSA-N 2 2 325.478 1.642 20 0 EDADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(S(N)(=O)=O)c1 ZINC000877526667 597531226 /nfs/dbraw/zinc/53/12/26/597531226.db2.gz ILVLPQHBKCAKKX-UHFFFAOYSA-N 2 2 325.478 1.642 20 0 EDADLP Cc1ccc2[nH+]cc(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)n2c1 ZINC000877669750 597546617 /nfs/dbraw/zinc/54/66/17/597546617.db2.gz XRXZBVGZPXYYQJ-IAGOWNOFSA-N 3 2 329.492 1.814 20 0 EDADLP O=S1(=O)C[C@@H]2CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]2C1 ZINC000877793645 597558042 /nfs/dbraw/zinc/55/80/42/597558042.db2.gz PDIFQXJTXRWNFH-STQMWFEESA-N 2 2 337.470 1.800 20 0 EDADLP O=S1(=O)C[C@@H]2CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]2C1 ZINC000877793645 597558043 /nfs/dbraw/zinc/55/80/43/597558043.db2.gz PDIFQXJTXRWNFH-STQMWFEESA-N 2 2 337.470 1.800 20 0 EDADLP O=S1(=O)C[C@H]2CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]2C1 ZINC000877793643 597558099 /nfs/dbraw/zinc/55/80/99/597558099.db2.gz PDIFQXJTXRWNFH-OLZOCXBDSA-N 2 2 337.470 1.800 20 0 EDADLP O=S1(=O)C[C@H]2CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C[C@H]2C1 ZINC000877793643 597558100 /nfs/dbraw/zinc/55/81/00/597558100.db2.gz PDIFQXJTXRWNFH-OLZOCXBDSA-N 2 2 337.470 1.800 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590697 597647426 /nfs/dbraw/zinc/64/74/26/597647426.db2.gz ILKYWIILNQHKBY-IAGOWNOFSA-N 2 2 336.524 1.488 20 0 EDADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2c3c(nn2C)CCSC3)CCCO1 ZINC000883103801 597651009 /nfs/dbraw/zinc/65/10/09/597651009.db2.gz GLUYJPKNCAWLDS-AWEZNQCLSA-N 2 2 338.521 1.800 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c3c(nn2C)CCSC3)CCCO1 ZINC000883103801 597651011 /nfs/dbraw/zinc/65/10/11/597651011.db2.gz GLUYJPKNCAWLDS-AWEZNQCLSA-N 2 2 338.521 1.800 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCN1c1cc[nH+]cc1 ZINC000881631235 597664850 /nfs/dbraw/zinc/66/48/50/597664850.db2.gz RQRUNNLMUMOGND-LSDHHAIUSA-N 2 2 325.416 1.578 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000878694184 597680799 /nfs/dbraw/zinc/68/07/99/597680799.db2.gz OLNNOLKRBBGYKX-KRWDZBQOSA-N 2 2 340.508 1.259 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](CF)C3)CC2)CC1 ZINC000883248028 597693489 /nfs/dbraw/zinc/69/34/89/597693489.db2.gz FSBLMBYUJOKBEU-CQSZACIVSA-N 2 2 326.460 1.546 20 0 EDADLP Cc1cccnc1NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748906 597698846 /nfs/dbraw/zinc/69/88/46/597698846.db2.gz UAFRXSAXPWEYIN-UHFFFAOYSA-N 2 2 325.416 1.936 20 0 EDADLP Cc1cccnc1NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748906 597698848 /nfs/dbraw/zinc/69/88/48/597698848.db2.gz UAFRXSAXPWEYIN-UHFFFAOYSA-N 2 2 325.416 1.936 20 0 EDADLP c1nc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1C1CC1 ZINC000883371357 597725798 /nfs/dbraw/zinc/72/57/98/597725798.db2.gz HNPJYSDWWFPLIQ-INIZCTEOSA-N 2 2 333.480 1.104 20 0 EDADLP c1[nH]nc2cc(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)ccc12 ZINC000883372051 597726247 /nfs/dbraw/zinc/72/62/47/597726247.db2.gz KBUPSDDUTXRQGF-GOSISDBHSA-N 2 2 343.475 1.449 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000883447929 597750911 /nfs/dbraw/zinc/75/09/11/597750911.db2.gz PFLTZDCPSORXIV-UHFFFAOYSA-N 3 2 336.524 1.572 20 0 EDADLP COC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000879006032 597783798 /nfs/dbraw/zinc/78/37/98/597783798.db2.gz FBZNTLFUQSQIGX-IBGZPJMESA-N 2 2 347.459 1.444 20 0 EDADLP COC(=O)NC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000879006032 597783802 /nfs/dbraw/zinc/78/38/02/597783802.db2.gz FBZNTLFUQSQIGX-IBGZPJMESA-N 2 2 347.459 1.444 20 0 EDADLP CCCOc1ccnc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000881973751 597823877 /nfs/dbraw/zinc/82/38/77/597823877.db2.gz QULVKDCSHRCSNH-INIZCTEOSA-N 2 2 333.480 1.870 20 0 EDADLP CCCOc1ccnc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000881973751 597823878 /nfs/dbraw/zinc/82/38/78/597823878.db2.gz QULVKDCSHRCSNH-INIZCTEOSA-N 2 2 333.480 1.870 20 0 EDADLP CC1(C)CC[C@@H](C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)OC1 ZINC000880253668 597883917 /nfs/dbraw/zinc/88/39/17/597883917.db2.gz XHGPRQNMBUZRKF-INIZCTEOSA-N 2 2 337.508 1.997 20 0 EDADLP CC(C)CC[C@@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254320 597884536 /nfs/dbraw/zinc/88/45/36/597884536.db2.gz SGPGGTXIYIMCAQ-MRXNPFEDSA-N 2 2 325.497 1.589 20 0 EDADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)NC[C@H]1CCCO1 ZINC000880568417 597966435 /nfs/dbraw/zinc/96/64/35/597966435.db2.gz YYNBVNHBGWUBHS-IAGOWNOFSA-N 2 2 328.416 1.509 20 0 EDADLP O=C(C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)NC[C@@H]1CCCO1 ZINC000880568416 597966697 /nfs/dbraw/zinc/96/66/97/597966697.db2.gz YYNBVNHBGWUBHS-DLBZAZTESA-N 2 2 328.416 1.509 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCO1 ZINC000880568390 597966702 /nfs/dbraw/zinc/96/67/02/597966702.db2.gz YBCGSLWEXIZHAA-WBVHZDCISA-N 2 2 328.416 1.461 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884193424 598021936 /nfs/dbraw/zinc/02/19/36/598021936.db2.gz FWRXZSOALFEZHO-MFKMUULPSA-N 2 2 337.221 1.850 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)n1C ZINC000884219075 598032861 /nfs/dbraw/zinc/03/28/61/598032861.db2.gz HILBTVKGKNFTCK-OAHLLOKOSA-N 2 2 341.415 1.419 20 0 EDADLP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000884405298 598095429 /nfs/dbraw/zinc/09/54/29/598095429.db2.gz MJSAMLRDKGSJPI-RDJZCZTQSA-N 2 2 343.427 1.236 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CC3CC3)C2)cc1 ZINC000884470001 598114368 /nfs/dbraw/zinc/11/43/68/598114368.db2.gz BWIGWKWOGQUMPD-MSOLQXFVSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])CC3CC3)C2)cc1 ZINC000884470001 598114370 /nfs/dbraw/zinc/11/43/70/598114370.db2.gz BWIGWKWOGQUMPD-MSOLQXFVSA-N 2 2 331.460 1.439 20 0 EDADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000914099342 695097509 /nfs/dbraw/zinc/09/75/09/695097509.db2.gz ZKUZWOJXIKHQBU-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000914099342 695097513 /nfs/dbraw/zinc/09/75/13/695097513.db2.gz ZKUZWOJXIKHQBU-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC000992747589 695268795 /nfs/dbraw/zinc/26/87/95/695268795.db2.gz LARSECURVXFHDT-RRFJBIMHSA-N 2 2 328.416 1.157 20 0 EDADLP CCc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cs1 ZINC000939857187 699996459 /nfs/dbraw/zinc/99/64/59/699996459.db2.gz AXYLGSTUEVDHJJ-TZMCWYRMSA-N 2 2 333.461 1.539 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000939858018 699997167 /nfs/dbraw/zinc/99/71/67/699997167.db2.gz WJADGJYCWXOGIL-LRDDRELGSA-N 2 2 334.370 1.798 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CC3)[C@H]2C1 ZINC000992847209 695405934 /nfs/dbraw/zinc/40/59/34/695405934.db2.gz AGNWBMFDZSWQAV-SZMVWBNQSA-N 2 2 330.476 1.979 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992879571 695424034 /nfs/dbraw/zinc/42/40/34/695424034.db2.gz UVXWIHFCVQDWKB-RBSFLKMASA-N 2 2 343.431 1.666 20 0 EDADLP Cc1cccc(C[NH+]2CC(NC(=O)c3cnn(CC[NH+](C)C)c3)C2)c1 ZINC001031083486 695489448 /nfs/dbraw/zinc/48/94/48/695489448.db2.gz JROQEBPRISFJOZ-UHFFFAOYSA-N 2 2 341.459 1.367 20 0 EDADLP C[C@H]1CCC(=O)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915500704 695935082 /nfs/dbraw/zinc/93/50/82/695935082.db2.gz PWICOICFULQJKK-AWEZNQCLSA-N 2 2 336.480 1.308 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cncn2C)[C@@H]1C ZINC000993623838 696288713 /nfs/dbraw/zinc/28/87/13/696288713.db2.gz QRVCRKXMYZRXQK-ZBFHGGJFSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cncn2C)[C@@H]1C ZINC000993623838 696288715 /nfs/dbraw/zinc/28/87/15/696288715.db2.gz QRVCRKXMYZRXQK-ZBFHGGJFSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)o1 ZINC000993763598 696361950 /nfs/dbraw/zinc/36/19/50/696361950.db2.gz SLVOXAJRXGVJNE-GOEBONIOSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)o1 ZINC000993763598 696361952 /nfs/dbraw/zinc/36/19/52/696361952.db2.gz SLVOXAJRXGVJNE-GOEBONIOSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)cn1 ZINC000994408081 696831165 /nfs/dbraw/zinc/83/11/65/696831165.db2.gz MUGMBJIALMPZMJ-YOEHRIQHSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)cn1 ZINC000994408081 696831167 /nfs/dbraw/zinc/83/11/67/696831167.db2.gz MUGMBJIALMPZMJ-YOEHRIQHSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)o1 ZINC000994510186 696954047 /nfs/dbraw/zinc/95/40/47/696954047.db2.gz SSGLBLTWRHOGIO-UKRRQHHQSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)o1 ZINC000994510186 696954049 /nfs/dbraw/zinc/95/40/49/696954049.db2.gz SSGLBLTWRHOGIO-UKRRQHHQSA-N 2 2 331.420 1.657 20 0 EDADLP C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3ccccc3C[NH+](C)C)C2)O1 ZINC001031438027 697108380 /nfs/dbraw/zinc/10/83/80/697108380.db2.gz QVHVJGUTYQKONY-YOEHRIQHSA-N 2 2 331.460 1.730 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000444852848 697182083 /nfs/dbraw/zinc/18/20/83/697182083.db2.gz UXUNNRYMJAQTDM-OWCLPIDISA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 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LUVQRGXQUDNCDE-UHFFFAOYSA-N 2 2 347.488 1.405 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@]23CCOC3)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083717 700178022 /nfs/dbraw/zinc/17/80/22/700178022.db2.gz UIXDCUXTFFGXIH-KXBFYZLASA-N 2 2 346.475 1.740 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177777 697874027 /nfs/dbraw/zinc/87/40/27/697874027.db2.gz PUHWXVGUSFNVLF-WBMJQRKESA-N 2 2 330.436 1.021 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177777 697874030 /nfs/dbraw/zinc/87/40/30/697874030.db2.gz PUHWXVGUSFNVLF-WBMJQRKESA-N 2 2 330.436 1.021 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)o1 ZINC001031730621 698119588 /nfs/dbraw/zinc/11/95/88/698119588.db2.gz SRLQVAGGVNFJMG-SFHVURJKSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)o1 ZINC001031730621 698119592 /nfs/dbraw/zinc/11/95/92/698119592.db2.gz SRLQVAGGVNFJMG-SFHVURJKSA-N 2 2 346.475 1.938 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)on1 ZINC000995156129 701559631 /nfs/dbraw/zinc/55/96/31/701559631.db2.gz VYAGJBQPSSTOEG-VXGBXAGGSA-N 2 2 333.392 1.024 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)on1 ZINC001031766965 699068022 /nfs/dbraw/zinc/06/80/22/699068022.db2.gz OTQNQJBWMZZJNH-NVXWUHKLSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)on1 ZINC001031766965 699068024 /nfs/dbraw/zinc/06/80/24/699068024.db2.gz OTQNQJBWMZZJNH-NVXWUHKLSA-N 2 2 332.448 1.548 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772695 699122976 /nfs/dbraw/zinc/12/29/76/699122976.db2.gz IPHLGLVSHFBQOF-DNVCBOLYSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031784915 699220208 /nfs/dbraw/zinc/22/02/08/699220208.db2.gz ZESHTGAWZLGKNU-NVXWUHKLSA-N 2 2 346.475 1.310 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784939 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345.491 1.463 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccncc1Cl ZINC000939533627 699671341 /nfs/dbraw/zinc/67/13/41/699671341.db2.gz CPHFDOVAMKNTLM-MLGOLLRUSA-N 2 2 347.850 1.648 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939533695 699671653 /nfs/dbraw/zinc/67/16/53/699671653.db2.gz DMUPEQTZRIKZSF-SWLSCSKDSA-N 2 2 347.850 1.648 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)o1 ZINC000939535633 699676458 /nfs/dbraw/zinc/67/64/58/699676458.db2.gz RCIWLHCGHJZJAW-ABAIWWIYSA-N 2 2 331.420 1.204 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939535831 699676710 /nfs/dbraw/zinc/67/67/10/699676710.db2.gz SBJOYPPUASWCIF-ZFWWWQNUSA-N 2 2 327.432 1.719 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939621749 699758277 /nfs/dbraw/zinc/75/82/77/699758277.db2.gz CYBLKZCAIDYNQP-WFASDCNBSA-N 2 2 330.436 1.114 20 0 EDADLP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000940183996 700341064 /nfs/dbraw/zinc/34/10/64/700341064.db2.gz XDCOWLYLCQUNLD-CQSZACIVSA-N 2 2 343.431 1.604 20 0 EDADLP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000940243519 700404750 /nfs/dbraw/zinc/40/47/50/700404750.db2.gz UFCZBSAHQZGHCV-UHFFFAOYSA-N 2 2 332.408 1.136 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995169312 701647551 /nfs/dbraw/zinc/64/75/51/701647551.db2.gz PRVLEVVMGNPITO-CVEARBPZSA-N 2 2 341.459 1.741 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940352840 700536665 /nfs/dbraw/zinc/53/66/65/700536665.db2.gz BGBFTLNPKPOSBF-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000940426246 700619691 /nfs/dbraw/zinc/61/96/91/700619691.db2.gz LTPJNGWRFQKCEV-UHFFFAOYSA-N 2 2 344.463 1.592 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995167997 701657672 /nfs/dbraw/zinc/65/76/72/701657672.db2.gz LEESEYUMFGFDRB-BBRMVZONSA-N 2 2 345.422 1.571 20 0 EDADLP Cc1nc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]cn3C)CC2)co1 ZINC000940445072 700647072 /nfs/dbraw/zinc/64/70/72/700647072.db2.gz LDWOPSYAPFHKJV-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC000940484287 700671820 /nfs/dbraw/zinc/67/18/20/700671820.db2.gz VFMRIUGQRNWSRQ-UHFFFAOYSA-N 2 2 328.420 1.152 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940620726 700781686 /nfs/dbraw/zinc/78/16/86/700781686.db2.gz JITZPAHNLYALCZ-ZIAGYGMSSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940620726 700781688 /nfs/dbraw/zinc/78/16/88/700781688.db2.gz JITZPAHNLYALCZ-ZIAGYGMSSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940620726 700781690 /nfs/dbraw/zinc/78/16/90/700781690.db2.gz JITZPAHNLYALCZ-ZIAGYGMSSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940620726 700781691 /nfs/dbraw/zinc/78/16/91/700781691.db2.gz JITZPAHNLYALCZ-ZIAGYGMSSA-N 2 2 335.452 1.189 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621893 700783544 /nfs/dbraw/zinc/78/35/44/700783544.db2.gz WWTOBSBYSMLWDJ-JKSUJKDBSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621893 700783545 /nfs/dbraw/zinc/78/35/45/700783545.db2.gz WWTOBSBYSMLWDJ-JKSUJKDBSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621893 700783546 /nfs/dbraw/zinc/78/35/46/700783546.db2.gz WWTOBSBYSMLWDJ-JKSUJKDBSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621893 700783548 /nfs/dbraw/zinc/78/35/48/700783548.db2.gz WWTOBSBYSMLWDJ-JKSUJKDBSA-N 2 2 347.507 1.714 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995107967 700960060 /nfs/dbraw/zinc/96/00/60/700960060.db2.gz STEOJSXDMVNKBX-WCQYABFASA-N 2 2 326.391 1.872 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000995114359 701042760 /nfs/dbraw/zinc/04/27/60/701042760.db2.gz HUSDARAJFPUVJL-UKRRQHHQSA-N 2 2 343.431 1.431 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995119205 701103888 /nfs/dbraw/zinc/10/38/88/701103888.db2.gz WGJBRLLEXNCXEH-UKRRQHHQSA-N 2 2 330.436 1.069 20 0 EDADLP C[C@H]1C[N@H+](CCCC2CCOCC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808033 701199293 /nfs/dbraw/zinc/19/92/93/701199293.db2.gz NECVNBRXRAQZAI-WMZOPIPTSA-N 2 2 348.491 1.917 20 0 EDADLP C[C@H]1C[N@@H+](CCCC2CCOCC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808033 701199295 /nfs/dbraw/zinc/19/92/95/701199295.db2.gz NECVNBRXRAQZAI-WMZOPIPTSA-N 2 2 348.491 1.917 20 0 EDADLP CC1(C)CO[C@@H](C[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)C1 ZINC000941130395 701207975 /nfs/dbraw/zinc/20/79/75/701207975.db2.gz QYJRTKZNODBCEG-CABCVRRESA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@@H](C[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)C1 ZINC000941130395 701207976 /nfs/dbraw/zinc/20/79/76/701207976.db2.gz QYJRTKZNODBCEG-CABCVRRESA-N 2 2 348.491 1.984 20 0 EDADLP C[C@@H](c1nncn1C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221453 701412215 /nfs/dbraw/zinc/41/22/15/701412215.db2.gz VFBXPWFBSZIGHP-GJZGRUSLSA-N 2 2 348.495 1.189 20 0 EDADLP C[C@@H](c1nncn1C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221453 701412217 /nfs/dbraw/zinc/41/22/17/701412217.db2.gz VFBXPWFBSZIGHP-GJZGRUSLSA-N 2 2 348.495 1.189 20 0 EDADLP CC1(C)C[N@H+](CC[C@@H]2CCOC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247165 701423921 /nfs/dbraw/zinc/42/39/21/701423921.db2.gz DXAYXAKFDKIZES-HZPDHXFCSA-N 2 2 334.464 1.526 20 0 EDADLP CC1(C)C[N@@H+](CC[C@@H]2CCOC2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247165 701423922 /nfs/dbraw/zinc/42/39/22/701423922.db2.gz DXAYXAKFDKIZES-HZPDHXFCSA-N 2 2 334.464 1.526 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC000941463967 701545448 /nfs/dbraw/zinc/54/54/48/701545448.db2.gz CNRAERQQBVLLKJ-MRXNPFEDSA-N 2 2 345.491 1.074 20 0 EDADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128399 701785034 /nfs/dbraw/zinc/78/50/34/701785034.db2.gz CMEMCPKUEQGPAS-CVEARBPZSA-N 2 2 333.480 1.089 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001031977574 702025552 /nfs/dbraw/zinc/02/55/52/702025552.db2.gz DAFLTVVTGAGYGV-WFASDCNBSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001031977574 702025557 /nfs/dbraw/zinc/02/55/57/702025557.db2.gz DAFLTVVTGAGYGV-WFASDCNBSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@H]1C[N@H+](CCF)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944121116 702288896 /nfs/dbraw/zinc/28/88/96/702288896.db2.gz IDPBPLHPZUWQKP-DZGCQCFKSA-N 2 2 331.395 1.677 20 0 EDADLP C[C@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944121116 702288898 /nfs/dbraw/zinc/28/88/98/702288898.db2.gz IDPBPLHPZUWQKP-DZGCQCFKSA-N 2 2 331.395 1.677 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944170040 702412387 /nfs/dbraw/zinc/41/23/87/702412387.db2.gz RVXYCRCYTWKKNH-BBRMVZONSA-N 2 2 343.431 1.776 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944170040 702412392 /nfs/dbraw/zinc/41/23/92/702412392.db2.gz RVXYCRCYTWKKNH-BBRMVZONSA-N 2 2 343.431 1.776 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944171678 702417186 /nfs/dbraw/zinc/41/71/86/702417186.db2.gz ZXMOVLKCHUNDQQ-WFASDCNBSA-N 2 2 344.419 1.171 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N(C)C ZINC000944171678 702417189 /nfs/dbraw/zinc/41/71/89/702417189.db2.gz ZXMOVLKCHUNDQQ-WFASDCNBSA-N 2 2 344.419 1.171 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2nnc(C)s2)C(C)(C)C1 ZINC000996040710 702455722 /nfs/dbraw/zinc/45/57/22/702455722.db2.gz CIZIFUCIQUMNTK-ZDUSSCGKSA-N 2 2 348.476 1.378 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063991 702521845 /nfs/dbraw/zinc/52/18/45/702521845.db2.gz NNKZNEFWYAHGAI-ZBFHGGJFSA-N 2 2 334.464 1.235 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063991 702521850 /nfs/dbraw/zinc/52/18/50/702521850.db2.gz NNKZNEFWYAHGAI-ZBFHGGJFSA-N 2 2 334.464 1.235 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)C1 ZINC000996105790 702565799 /nfs/dbraw/zinc/56/57/99/702565799.db2.gz LLSANWLLGUULSI-CVEARBPZSA-N 2 2 348.491 1.915 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)o1 ZINC000996355367 702733100 /nfs/dbraw/zinc/73/31/00/702733100.db2.gz KZHKJOQGOLXHMO-HNNXBMFYSA-N 2 2 331.420 1.584 20 0 EDADLP CCCc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)no1 ZINC000995216990 702735627 /nfs/dbraw/zinc/73/56/27/702735627.db2.gz VRMZEBWSGXHYIC-HUUCEWRRSA-N 2 2 349.479 1.492 20 0 EDADLP C[C@H]1C[N@H+](Cc2ncccn2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256332 702747732 /nfs/dbraw/zinc/74/77/32/702747732.db2.gz DLRODVHZGGNDPV-JKSUJKDBSA-N 2 2 343.475 1.432 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ncccn2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256332 702747735 /nfs/dbraw/zinc/74/77/35/702747735.db2.gz DLRODVHZGGNDPV-JKSUJKDBSA-N 2 2 343.475 1.432 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000996458170 702802687 /nfs/dbraw/zinc/80/26/87/702802687.db2.gz RVUXWRFKINFDGF-JKSUJKDBSA-N 2 2 348.491 1.720 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([NH2+]C[C@@H]4CCOC4)CC3)ccn12 ZINC000996512934 702832531 /nfs/dbraw/zinc/83/25/31/702832531.db2.gz DOILXRPZCALYLH-HNNXBMFYSA-N 2 2 342.443 1.873 20 0 EDADLP Cn1cncc1C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1(C)C ZINC000996516553 702851742 /nfs/dbraw/zinc/85/17/42/702851742.db2.gz BBDNRDBROSMQSH-HNNXBMFYSA-N 2 2 344.463 1.448 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996522357 702858171 /nfs/dbraw/zinc/85/81/71/702858171.db2.gz YSMDKQCHILFWAB-JSGCOSHPSA-N 2 2 337.493 1.207 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996522357 702858173 /nfs/dbraw/zinc/85/81/73/702858173.db2.gz YSMDKQCHILFWAB-JSGCOSHPSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000996561681 702875627 /nfs/dbraw/zinc/87/56/27/702875627.db2.gz IPKQNAUERQRKBQ-OAHLLOKOSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996563925 702885159 /nfs/dbraw/zinc/88/51/59/702885159.db2.gz QNYBFTWYASEXFZ-AWEZNQCLSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000996564336 702885730 /nfs/dbraw/zinc/88/57/30/702885730.db2.gz SJTIDLOAKUPDRL-CYBMUJFWSA-N 2 2 333.461 1.744 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)n1 ZINC000996609398 702920363 /nfs/dbraw/zinc/92/03/63/702920363.db2.gz GKVDPSJCAVUNFR-INIZCTEOSA-N 2 2 344.463 1.435 20 0 EDADLP COc1ccnc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)c1 ZINC000996650076 702951948 /nfs/dbraw/zinc/95/19/48/702951948.db2.gz FQDXJDCAHMKJJA-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP COc1ccnc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)c1 ZINC000996650076 702951950 /nfs/dbraw/zinc/95/19/50/702951950.db2.gz FQDXJDCAHMKJJA-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996675892 702974905 /nfs/dbraw/zinc/97/49/05/702974905.db2.gz JERUOPGVZUPQBP-LSDHHAIUSA-N 2 2 335.452 1.271 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996675892 702974906 /nfs/dbraw/zinc/97/49/06/702974906.db2.gz JERUOPGVZUPQBP-LSDHHAIUSA-N 2 2 335.452 1.271 20 0 EDADLP COc1ncccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995254475 702995207 /nfs/dbraw/zinc/99/52/07/702995207.db2.gz VAXSNYNHFDOGAZ-ZBFHGGJFSA-N 2 2 343.431 1.361 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000996714627 703009412 /nfs/dbraw/zinc/00/94/12/703009412.db2.gz LSGRCOKCZHQZAH-INIZCTEOSA-N 2 2 343.431 1.775 20 0 EDADLP Cc1nonc1C[NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000996726048 703020883 /nfs/dbraw/zinc/02/08/83/703020883.db2.gz BOYLNLAYHIABHD-UHFFFAOYSA-N 2 2 340.387 1.649 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)[nH]1 ZINC000996727983 703022828 /nfs/dbraw/zinc/02/28/28/703022828.db2.gz INMRVVIPMRJFFI-UHFFFAOYSA-N 2 2 339.403 1.384 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996740886 703035853 /nfs/dbraw/zinc/03/58/53/703035853.db2.gz VTNCOTPLVKIMKI-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC000996846356 703135552 /nfs/dbraw/zinc/13/55/52/703135552.db2.gz KZVYXWMQDCXYGM-QWHCGFSZSA-N 2 2 332.370 1.908 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)no1 ZINC000996867051 703139743 /nfs/dbraw/zinc/13/97/43/703139743.db2.gz AWFGBIGQVXRKQI-UHFFFAOYSA-N 2 2 349.479 1.587 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996865667 703147539 /nfs/dbraw/zinc/14/75/39/703147539.db2.gz SEKKSTFABCKHCA-LJQANCHMSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996865667 703147541 /nfs/dbraw/zinc/14/75/41/703147541.db2.gz SEKKSTFABCKHCA-LJQANCHMSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000997118786 703375353 /nfs/dbraw/zinc/37/53/53/703375353.db2.gz KFTPCYOWPVLPIY-INIZCTEOSA-N 2 2 334.464 1.474 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000997180693 703470847 /nfs/dbraw/zinc/47/08/47/703470847.db2.gz SYDSYPWODFEJEG-OWCLPIDISA-N 2 2 330.476 1.979 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)[nH]1 ZINC000997184815 703473576 /nfs/dbraw/zinc/47/35/76/703473576.db2.gz ZUYVSGXPUUBUCM-NSHDSACASA-N 2 2 345.451 1.456 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000997220472 703498516 /nfs/dbraw/zinc/49/85/16/703498516.db2.gz BSVFGJWCEPRVBL-NSHDSACASA-N 2 2 332.408 1.294 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C2CCC2)c(C)n1 ZINC001032447459 703616306 /nfs/dbraw/zinc/61/63/06/703616306.db2.gz LRFOQOYMJWOZCB-OALUTQOASA-N 2 2 342.487 1.968 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C2CCC2)c(C)n1 ZINC001032447459 703616308 /nfs/dbraw/zinc/61/63/08/703616308.db2.gz LRFOQOYMJWOZCB-OALUTQOASA-N 2 2 342.487 1.968 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)c(C)n1 ZINC001032447459 703616309 /nfs/dbraw/zinc/61/63/09/703616309.db2.gz LRFOQOYMJWOZCB-OALUTQOASA-N 2 2 342.487 1.968 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C2CCC2)c(C)n1 ZINC001032447459 703616311 /nfs/dbraw/zinc/61/63/11/703616311.db2.gz LRFOQOYMJWOZCB-OALUTQOASA-N 2 2 342.487 1.968 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)no1 ZINC001004203168 703938587 /nfs/dbraw/zinc/93/85/87/703938587.db2.gz IBAGJJCZLNPCGE-OKILXGFUSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)no1 ZINC001004203168 703938590 /nfs/dbraw/zinc/93/85/90/703938590.db2.gz IBAGJJCZLNPCGE-OKILXGFUSA-N 2 2 334.464 1.936 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997642948 703950619 /nfs/dbraw/zinc/95/06/19/703950619.db2.gz XAGXZLAISQIIRY-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2nccn2C)CC1 ZINC000997642948 703950622 /nfs/dbraw/zinc/95/06/22/703950622.db2.gz XAGXZLAISQIIRY-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC001004208149 703968543 /nfs/dbraw/zinc/96/85/43/703968543.db2.gz NEMHSSDRDWCPDK-SFHVURJKSA-N 2 2 347.507 1.684 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H]3CNC(=O)C3)CC2)cc1 ZINC000922779145 704332065 /nfs/dbraw/zinc/33/20/65/704332065.db2.gz RIDDKHJNXUFFEF-OAHLLOKOSA-N 2 2 330.476 1.837 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cccs1 ZINC001032534862 704567206 /nfs/dbraw/zinc/56/72/06/704567206.db2.gz JXNCXNZEQJQBTR-GJZGRUSLSA-N 2 2 344.484 1.942 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cccs1 ZINC001032534862 704567209 /nfs/dbraw/zinc/56/72/09/704567209.db2.gz JXNCXNZEQJQBTR-GJZGRUSLSA-N 2 2 344.484 1.942 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000997738603 704635846 /nfs/dbraw/zinc/63/58/46/704635846.db2.gz ORRSYOTXKVIJST-MRXNPFEDSA-N 2 2 348.491 1.986 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032550593 704685223 /nfs/dbraw/zinc/68/52/23/704685223.db2.gz ZAPKWTBQNDCHSY-IRXDYDNUSA-N 2 2 332.448 1.375 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032550593 704685224 /nfs/dbraw/zinc/68/52/24/704685224.db2.gz ZAPKWTBQNDCHSY-IRXDYDNUSA-N 2 2 332.448 1.375 20 0 EDADLP CCc1nocc1C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000997817292 704739028 /nfs/dbraw/zinc/73/90/28/704739028.db2.gz NFFVNCKWAUCKRA-UHFFFAOYSA-N 2 2 345.447 1.921 20 0 EDADLP CCc1nocc1C[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000997817292 704739029 /nfs/dbraw/zinc/73/90/29/704739029.db2.gz NFFVNCKWAUCKRA-UHFFFAOYSA-N 2 2 345.447 1.921 20 0 EDADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946260 704799509 /nfs/dbraw/zinc/79/95/09/704799509.db2.gz WECFXDDAJYADJI-GOEBONIOSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946260 704799511 /nfs/dbraw/zinc/79/95/11/704799511.db2.gz WECFXDDAJYADJI-GOEBONIOSA-N 2 2 348.495 1.029 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CCc3[nH+]ccn3C)CC2)O1 ZINC000997930671 705036277 /nfs/dbraw/zinc/03/62/77/705036277.db2.gz RPWYIKWSTYSFKK-WBVHZDCISA-N 2 2 348.491 1.748 20 0 EDADLP Cc1nnsc1C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000997950812 705077863 /nfs/dbraw/zinc/07/78/63/705077863.db2.gz ABQKIUVDHBYDBT-UHFFFAOYSA-N 2 2 348.476 1.462 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998052144 705255153 /nfs/dbraw/zinc/25/51/53/705255153.db2.gz OFJNZTLTWQKKMJ-IAGOWNOFSA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998052144 705255155 /nfs/dbraw/zinc/25/51/55/705255155.db2.gz OFJNZTLTWQKKMJ-IAGOWNOFSA-N 2 2 348.491 1.531 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602348 705394122 /nfs/dbraw/zinc/39/41/22/705394122.db2.gz PDFFCCIIVTZVQP-HOTGVXAUSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602348 705394125 /nfs/dbraw/zinc/39/41/25/705394125.db2.gz PDFFCCIIVTZVQP-HOTGVXAUSA-N 2 2 346.475 1.672 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602747 705409972 /nfs/dbraw/zinc/40/99/72/705409972.db2.gz ZFLLHOUOOZRUGG-GJZGRUSLSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602747 705409975 /nfs/dbraw/zinc/40/99/75/705409975.db2.gz ZFLLHOUOOZRUGG-GJZGRUSLSA-N 2 2 334.489 1.578 20 0 EDADLP CC(C)n1ccc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000998181054 705480373 /nfs/dbraw/zinc/48/03/73/705480373.db2.gz FHMROTAJTOLUAH-UHFFFAOYSA-N 2 2 344.463 1.758 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2cnc(C)cn2)CC1 ZINC000998246190 705593255 /nfs/dbraw/zinc/59/32/55/705593255.db2.gz YGAKWCMCQAJFFI-UHFFFAOYSA-N 2 2 342.447 1.387 20 0 EDADLP C[C@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH+]cn3C)CC2)O1 ZINC000998253842 705613045 /nfs/dbraw/zinc/61/30/45/705613045.db2.gz KDZPYMBYTCGIGD-MAUKXSAKSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000998296248 705698164 /nfs/dbraw/zinc/69/81/64/705698164.db2.gz ANGFOJMCLMXUEU-LBPRGKRZSA-N 2 2 332.408 1.164 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)cs1 ZINC000998296270 705698288 /nfs/dbraw/zinc/69/82/88/705698288.db2.gz CATJOWYRXBBFSW-UHFFFAOYSA-N 2 2 347.488 1.930 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC000998303135 705714350 /nfs/dbraw/zinc/71/43/50/705714350.db2.gz KTSRAKOLPFOSJF-UONOGXRCSA-N 2 2 344.381 1.742 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629659 705753331 /nfs/dbraw/zinc/75/33/31/705753331.db2.gz HSNZVCXHQSYNGW-KKUMJFAQSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629659 705753333 /nfs/dbraw/zinc/75/33/33/705753333.db2.gz HSNZVCXHQSYNGW-KKUMJFAQSA-N 2 2 348.447 1.204 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1nccc2c1CCCC2 ZINC000921652709 705808982 /nfs/dbraw/zinc/80/89/82/705808982.db2.gz QSCPABKHMGHXRE-LJQANCHMSA-N 2 2 344.503 1.993 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1nccc2c1CCCC2 ZINC000921652709 705808985 /nfs/dbraw/zinc/80/89/85/705808985.db2.gz QSCPABKHMGHXRE-LJQANCHMSA-N 2 2 344.503 1.993 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998720684 706147625 /nfs/dbraw/zinc/14/76/25/706147625.db2.gz KAHHBBZRPZCMID-ZIAGYGMSSA-N 2 2 335.452 1.197 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998720684 706147629 /nfs/dbraw/zinc/14/76/29/706147629.db2.gz KAHHBBZRPZCMID-ZIAGYGMSSA-N 2 2 335.452 1.197 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999356179 706846138 /nfs/dbraw/zinc/84/61/38/706846138.db2.gz YRJMJSXINTZJDO-CVEARBPZSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999356179 706846141 /nfs/dbraw/zinc/84/61/41/706846141.db2.gz YRJMJSXINTZJDO-CVEARBPZSA-N 2 2 349.479 1.722 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000999497233 706995008 /nfs/dbraw/zinc/99/50/08/706995008.db2.gz PLTDRHHLEDBMLX-SJORKVTESA-N 2 2 347.459 1.782 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC000999501007 706998874 /nfs/dbraw/zinc/99/88/74/706998874.db2.gz CTBBEBOUFJKVHY-OAHLLOKOSA-N 2 2 338.415 1.691 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999534416 707035177 /nfs/dbraw/zinc/03/51/77/707035177.db2.gz DYYMUNRPSQXDIK-RDJZCZTQSA-N 2 2 339.443 1.621 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999537428 707037770 /nfs/dbraw/zinc/03/77/70/707037770.db2.gz SMVPWWDVDQTDOT-WBVHZDCISA-N 2 2 339.443 1.621 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)no1 ZINC000999704983 707294071 /nfs/dbraw/zinc/29/40/71/707294071.db2.gz FHGDAQCGGNVYBC-LMWSTFAQSA-N 2 2 333.436 1.114 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001033266768 707294742 /nfs/dbraw/zinc/29/47/42/707294742.db2.gz RQMGTMSXOZGOFV-OAHLLOKOSA-N 2 2 347.850 1.973 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001033266768 707294743 /nfs/dbraw/zinc/29/47/43/707294743.db2.gz RQMGTMSXOZGOFV-OAHLLOKOSA-N 2 2 347.850 1.973 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033296868 707409522 /nfs/dbraw/zinc/40/95/22/707409522.db2.gz CPYXCFZQXQMJQK-RTBURBONSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033296868 707409524 /nfs/dbraw/zinc/40/95/24/707409524.db2.gz CPYXCFZQXQMJQK-RTBURBONSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033296868 707409527 /nfs/dbraw/zinc/40/95/27/707409527.db2.gz CPYXCFZQXQMJQK-RTBURBONSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033296868 707409530 /nfs/dbraw/zinc/40/95/30/707409530.db2.gz CPYXCFZQXQMJQK-RTBURBONSA-N 2 2 349.519 1.820 20 0 EDADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299186 707443280 /nfs/dbraw/zinc/44/32/80/707443280.db2.gz AIDPYTDPAZXYLZ-QGZVFWFLSA-N 2 2 328.416 1.665 20 0 EDADLP Cc1conc1C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946801090 707456662 /nfs/dbraw/zinc/45/66/62/707456662.db2.gz YPMIEYPGSXRKCK-GASCZTMLSA-N 2 2 343.431 1.619 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)o1 ZINC001004879999 707553460 /nfs/dbraw/zinc/55/34/60/707553460.db2.gz UEWYJFMIVBJOBK-BBRMVZONSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)o1 ZINC001004879999 707553468 /nfs/dbraw/zinc/55/34/68/707553468.db2.gz UEWYJFMIVBJOBK-BBRMVZONSA-N 2 2 349.479 1.722 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000999914247 707556359 /nfs/dbraw/zinc/55/63/59/707556359.db2.gz ADDWNZWLBNIHCJ-UHFFFAOYSA-N 2 2 344.463 1.614 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000999915880 707558098 /nfs/dbraw/zinc/55/80/98/707558098.db2.gz LVFJHKPXPVSQBB-UHFFFAOYSA-N 2 2 340.427 1.693 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946815799 707566173 /nfs/dbraw/zinc/56/61/73/707566173.db2.gz PFTZTKUSCBMTCB-OAGGEKHMSA-N 2 2 334.464 1.141 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946815799 707566176 /nfs/dbraw/zinc/56/61/76/707566176.db2.gz PFTZTKUSCBMTCB-OAGGEKHMSA-N 2 2 334.464 1.141 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946815799 707566179 /nfs/dbraw/zinc/56/61/79/707566179.db2.gz PFTZTKUSCBMTCB-OAGGEKHMSA-N 2 2 334.464 1.141 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946815799 707566180 /nfs/dbraw/zinc/56/61/80/707566180.db2.gz PFTZTKUSCBMTCB-OAGGEKHMSA-N 2 2 334.464 1.141 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccon1 ZINC001004894087 707575835 /nfs/dbraw/zinc/57/58/35/707575835.db2.gz FFOLGQMLUHQAQR-GDBMZVCRSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001033363147 707653211 /nfs/dbraw/zinc/65/32/11/707653211.db2.gz VJLYBPKNYIZOFG-CWRNSKLLSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001033363147 707653213 /nfs/dbraw/zinc/65/32/13/707653213.db2.gz VJLYBPKNYIZOFG-CWRNSKLLSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001033363147 707653216 /nfs/dbraw/zinc/65/32/16/707653216.db2.gz VJLYBPKNYIZOFG-CWRNSKLLSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001033363147 707653219 /nfs/dbraw/zinc/65/32/19/707653219.db2.gz VJLYBPKNYIZOFG-CWRNSKLLSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1nccnc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004957003 707752407 /nfs/dbraw/zinc/75/24/07/707752407.db2.gz SSWANXPQNWMNMC-YOEHRIQHSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)ncn1 ZINC001004957902 707756012 /nfs/dbraw/zinc/75/60/12/707756012.db2.gz VSBVRPHKGCOUCS-YOEHRIQHSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cc[nH+]1 ZINC001061652513 707790450 /nfs/dbraw/zinc/79/04/50/707790450.db2.gz KASCMLDWIVDQQJ-HOTGVXAUSA-N 2 2 331.464 1.600 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cc[nH+]1 ZINC001061652513 707790454 /nfs/dbraw/zinc/79/04/54/707790454.db2.gz KASCMLDWIVDQQJ-HOTGVXAUSA-N 2 2 331.464 1.600 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)c1 ZINC001033418464 707803298 /nfs/dbraw/zinc/80/32/98/707803298.db2.gz CKCNJEYBSPOPKO-NVXWUHKLSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)c1 ZINC001033418464 707803299 /nfs/dbraw/zinc/80/32/99/707803299.db2.gz CKCNJEYBSPOPKO-NVXWUHKLSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC001033418464 707803302 /nfs/dbraw/zinc/80/33/02/707803302.db2.gz CKCNJEYBSPOPKO-NVXWUHKLSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC001033418464 707803304 /nfs/dbraw/zinc/80/33/04/707803304.db2.gz CKCNJEYBSPOPKO-NVXWUHKLSA-N 2 2 346.475 1.465 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418887 707804089 /nfs/dbraw/zinc/80/40/89/707804089.db2.gz FQQGNLPDPZTWQC-ZBFHGGJFSA-N 2 2 346.475 1.927 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418887 707804091 /nfs/dbraw/zinc/80/40/91/707804091.db2.gz FQQGNLPDPZTWQC-ZBFHGGJFSA-N 2 2 346.475 1.927 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418887 707804092 /nfs/dbraw/zinc/80/40/92/707804092.db2.gz FQQGNLPDPZTWQC-ZBFHGGJFSA-N 2 2 346.475 1.927 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418887 707804095 /nfs/dbraw/zinc/80/40/95/707804095.db2.gz FQQGNLPDPZTWQC-ZBFHGGJFSA-N 2 2 346.475 1.927 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C)C1CCC1 ZINC001032759420 707868130 /nfs/dbraw/zinc/86/81/30/707868130.db2.gz MPYGFXDXALAMHB-BZSNNMDCSA-N 2 2 346.475 1.453 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C)C1CCC1 ZINC001032759420 707868133 /nfs/dbraw/zinc/86/81/33/707868133.db2.gz MPYGFXDXALAMHB-BZSNNMDCSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000921716076 707895867 /nfs/dbraw/zinc/89/58/67/707895867.db2.gz HHSSDSAXYGYWJO-KCXAZCMYSA-N 2 2 338.402 1.713 20 0 EDADLP C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000921716076 707895870 /nfs/dbraw/zinc/89/58/70/707895870.db2.gz HHSSDSAXYGYWJO-KCXAZCMYSA-N 2 2 338.402 1.713 20 0 EDADLP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000921716076 707895874 /nfs/dbraw/zinc/89/58/74/707895874.db2.gz HHSSDSAXYGYWJO-KCXAZCMYSA-N 2 2 338.402 1.713 20 0 EDADLP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000921716076 707895879 /nfs/dbraw/zinc/89/58/79/707895879.db2.gz HHSSDSAXYGYWJO-KCXAZCMYSA-N 2 2 338.402 1.713 20 0 EDADLP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)co1 ZINC001005010994 707929665 /nfs/dbraw/zinc/92/96/65/707929665.db2.gz RFHZADQODMLMCV-CJNGLKHVSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1ccc(F)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001032781416 707968723 /nfs/dbraw/zinc/96/87/23/707968723.db2.gz URCRMRUUZPDKRC-XIRDDKMYSA-N 2 2 331.435 1.871 20 0 EDADLP Cc1ccc(F)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001032781416 707968725 /nfs/dbraw/zinc/96/87/25/707968725.db2.gz URCRMRUUZPDKRC-XIRDDKMYSA-N 2 2 331.435 1.871 20 0 EDADLP Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032781416 707968728 /nfs/dbraw/zinc/96/87/28/707968728.db2.gz URCRMRUUZPDKRC-XIRDDKMYSA-N 2 2 331.435 1.871 20 0 EDADLP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032781416 707968731 /nfs/dbraw/zinc/96/87/31/707968731.db2.gz URCRMRUUZPDKRC-XIRDDKMYSA-N 2 2 331.435 1.871 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)no1 ZINC001000336792 707986869 /nfs/dbraw/zinc/98/68/69/707986869.db2.gz ORLUEUKGVGEXJQ-DZGCQCFKSA-N 2 2 331.420 1.911 20 0 EDADLP Cc1csc(C[NH+]2CC=C(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001000523940 708043075 /nfs/dbraw/zinc/04/30/75/708043075.db2.gz ZWQZMKGMVKNWHP-HNNXBMFYSA-N 2 2 334.489 1.794 20 0 EDADLP Cc1csc(C[NH+]2CC=C(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001000523940 708043076 /nfs/dbraw/zinc/04/30/76/708043076.db2.gz ZWQZMKGMVKNWHP-HNNXBMFYSA-N 2 2 334.489 1.794 20 0 EDADLP Cc1csc(C[N@H+]2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)n1 ZINC001000523940 708043077 /nfs/dbraw/zinc/04/30/77/708043077.db2.gz ZWQZMKGMVKNWHP-HNNXBMFYSA-N 2 2 334.489 1.794 20 0 EDADLP Cc1csc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)n1 ZINC001000523940 708043078 /nfs/dbraw/zinc/04/30/78/708043078.db2.gz ZWQZMKGMVKNWHP-HNNXBMFYSA-N 2 2 334.489 1.794 20 0 EDADLP COc1cccc([C@@H](C)[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)c1 ZINC001032814996 708151783 /nfs/dbraw/zinc/15/17/83/708151783.db2.gz UIMUBVRXKZXNBR-PVAVHDDUSA-N 2 2 340.427 1.938 20 0 EDADLP COc1cccc([C@@H](C)[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)c1 ZINC001032814996 708151786 /nfs/dbraw/zinc/15/17/86/708151786.db2.gz UIMUBVRXKZXNBR-PVAVHDDUSA-N 2 2 340.427 1.938 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)cc[nH+]1 ZINC001061018770 708210758 /nfs/dbraw/zinc/21/07/58/708210758.db2.gz MNPRBEYCLWFBLX-HZPDHXFCSA-N 2 2 331.464 1.920 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001061018770 708210763 /nfs/dbraw/zinc/21/07/63/708210763.db2.gz MNPRBEYCLWFBLX-HZPDHXFCSA-N 2 2 331.464 1.920 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033586619 708277330 /nfs/dbraw/zinc/27/73/30/708277330.db2.gz XYQQMLWZUWFRLW-AWEZNQCLSA-N 2 2 343.431 1.791 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033586619 708277332 /nfs/dbraw/zinc/27/73/32/708277332.db2.gz XYQQMLWZUWFRLW-AWEZNQCLSA-N 2 2 343.431 1.791 20 0 EDADLP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001033616085 708342107 /nfs/dbraw/zinc/34/21/07/708342107.db2.gz FNZUQVCIKDIICV-FUHWJXTLSA-N 2 2 348.491 1.999 20 0 EDADLP CO[C@H](C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCCC1 ZINC001033616085 708342108 /nfs/dbraw/zinc/34/21/08/708342108.db2.gz FNZUQVCIKDIICV-FUHWJXTLSA-N 2 2 348.491 1.999 20 0 EDADLP Cc1noc(CCC[N@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC001033621618 708355009 /nfs/dbraw/zinc/35/50/09/708355009.db2.gz XMCYSGKYIRIXKI-CQSZACIVSA-N 2 2 346.435 1.118 20 0 EDADLP Cc1noc(CCC[N@@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC001033621618 708355015 /nfs/dbraw/zinc/35/50/15/708355015.db2.gz XMCYSGKYIRIXKI-CQSZACIVSA-N 2 2 346.435 1.118 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)nc1 ZINC001001831983 708357760 /nfs/dbraw/zinc/35/77/60/708357760.db2.gz BSTMSQVLJCAOPF-NVXWUHKLSA-N 2 2 345.491 1.311 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)nc1 ZINC001001831983 708357764 /nfs/dbraw/zinc/35/77/64/708357764.db2.gz BSTMSQVLJCAOPF-NVXWUHKLSA-N 2 2 345.491 1.311 20 0 EDADLP CC(C)c1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033659657 708471741 /nfs/dbraw/zinc/47/17/41/708471741.db2.gz DYQQNVIQCGPUSM-CABCVRRESA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033659657 708471744 /nfs/dbraw/zinc/47/17/44/708471744.db2.gz DYQQNVIQCGPUSM-CABCVRRESA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001033659657 708471745 /nfs/dbraw/zinc/47/17/45/708471745.db2.gz DYQQNVIQCGPUSM-CABCVRRESA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033659657 708471748 /nfs/dbraw/zinc/47/17/48/708471748.db2.gz DYQQNVIQCGPUSM-CABCVRRESA-N 2 2 334.464 1.782 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnoc2C)C1 ZINC001033684070 708496397 /nfs/dbraw/zinc/49/63/97/708496397.db2.gz CMGVLNPGDKHWMR-DLBZAZTESA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnoc2C)C1 ZINC001033684070 708496398 /nfs/dbraw/zinc/49/63/98/708496398.db2.gz CMGVLNPGDKHWMR-DLBZAZTESA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001033684070 708496399 /nfs/dbraw/zinc/49/63/99/708496399.db2.gz CMGVLNPGDKHWMR-DLBZAZTESA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001033684070 708496401 /nfs/dbraw/zinc/49/64/01/708496401.db2.gz CMGVLNPGDKHWMR-DLBZAZTESA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001033833854 708860370 /nfs/dbraw/zinc/86/03/70/708860370.db2.gz RNWFYVNWMMOLIC-GOEBONIOSA-N 2 2 330.432 1.560 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001033833854 708860372 /nfs/dbraw/zinc/86/03/72/708860372.db2.gz RNWFYVNWMMOLIC-GOEBONIOSA-N 2 2 330.432 1.560 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033835293 708862450 /nfs/dbraw/zinc/86/24/50/708862450.db2.gz XKOTWHLQGQHIOD-XOKHGSTOSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033835293 708862453 /nfs/dbraw/zinc/86/24/53/708862453.db2.gz XKOTWHLQGQHIOD-XOKHGSTOSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2coc(C)n2)C1 ZINC001033835293 708862456 /nfs/dbraw/zinc/86/24/56/708862456.db2.gz XKOTWHLQGQHIOD-XOKHGSTOSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2coc(C)n2)C1 ZINC001033835293 708862458 /nfs/dbraw/zinc/86/24/58/708862458.db2.gz XKOTWHLQGQHIOD-XOKHGSTOSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033839583 708870169 /nfs/dbraw/zinc/87/01/69/708870169.db2.gz XYZOYYLQSBWMPL-BRWVUGGUSA-N 2 2 346.475 1.069 20 0 EDADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033839583 708870172 /nfs/dbraw/zinc/87/01/72/708870172.db2.gz XYZOYYLQSBWMPL-BRWVUGGUSA-N 2 2 346.475 1.069 20 0 EDADLP Cc1noc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001005399463 708886082 /nfs/dbraw/zinc/88/60/82/708886082.db2.gz SJQMAZANQMXXEW-MRXNPFEDSA-N 2 2 347.463 1.143 20 0 EDADLP CCc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001005413942 708930204 /nfs/dbraw/zinc/93/02/04/708930204.db2.gz VWMIWWUMBLBXJN-RHSMWYFYSA-N 2 2 348.491 2.000 20 0 EDADLP CCc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001005413942 708930207 /nfs/dbraw/zinc/93/02/07/708930207.db2.gz VWMIWWUMBLBXJN-RHSMWYFYSA-N 2 2 348.491 2.000 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033927929 709059109 /nfs/dbraw/zinc/05/91/09/709059109.db2.gz RUAUGJODYBHPME-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033927929 709059110 /nfs/dbraw/zinc/05/91/10/709059110.db2.gz RUAUGJODYBHPME-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033927929 709059113 /nfs/dbraw/zinc/05/91/13/709059113.db2.gz RUAUGJODYBHPME-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033927929 709059114 /nfs/dbraw/zinc/05/91/14/709059114.db2.gz RUAUGJODYBHPME-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP C[C@H](c1ccccc1F)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002532017 709089913 /nfs/dbraw/zinc/08/99/13/709089913.db2.gz FMDDRCCYSJMNNG-KDOFPFPSSA-N 2 2 349.450 1.798 20 0 EDADLP C[C@H](c1ccccc1F)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002532017 709089915 /nfs/dbraw/zinc/08/99/15/709089915.db2.gz FMDDRCCYSJMNNG-KDOFPFPSSA-N 2 2 349.450 1.798 20 0 EDADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001034003877 709242532 /nfs/dbraw/zinc/24/25/32/709242532.db2.gz IWTDQTDTAJKTKB-MRXNPFEDSA-N 2 2 343.431 1.186 20 0 EDADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001034003877 709242533 /nfs/dbraw/zinc/24/25/33/709242533.db2.gz IWTDQTDTAJKTKB-MRXNPFEDSA-N 2 2 343.431 1.186 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001034039164 709271523 /nfs/dbraw/zinc/27/15/23/709271523.db2.gz GEURGUXBMPWFQI-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001034039164 709271525 /nfs/dbraw/zinc/27/15/25/709271525.db2.gz GEURGUXBMPWFQI-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(C)s2)C1 ZINC001034039164 709271526 /nfs/dbraw/zinc/27/15/26/709271526.db2.gz GEURGUXBMPWFQI-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(C)s2)C1 ZINC001034039164 709271528 /nfs/dbraw/zinc/27/15/28/709271528.db2.gz GEURGUXBMPWFQI-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001002792616 709400788 /nfs/dbraw/zinc/40/07/88/709400788.db2.gz RCXLBFZDQPPMPX-NVXWUHKLSA-N 2 2 345.491 1.991 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001002792616 709400791 /nfs/dbraw/zinc/40/07/91/709400791.db2.gz RCXLBFZDQPPMPX-NVXWUHKLSA-N 2 2 345.491 1.991 20 0 EDADLP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034132643 709402596 /nfs/dbraw/zinc/40/25/96/709402596.db2.gz SWOOLSDMPFEANM-NVXWUHKLSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034132643 709402597 /nfs/dbraw/zinc/40/25/97/709402597.db2.gz SWOOLSDMPFEANM-NVXWUHKLSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034132643 709402598 /nfs/dbraw/zinc/40/25/98/709402598.db2.gz SWOOLSDMPFEANM-NVXWUHKLSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034132643 709402599 /nfs/dbraw/zinc/40/25/99/709402599.db2.gz SWOOLSDMPFEANM-NVXWUHKLSA-N 2 2 331.464 1.350 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002803233 709405820 /nfs/dbraw/zinc/40/58/20/709405820.db2.gz SGHPWIAAVLGBNL-NVXWUHKLSA-N 2 2 343.475 1.432 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002803233 709405821 /nfs/dbraw/zinc/40/58/21/709405821.db2.gz SGHPWIAAVLGBNL-NVXWUHKLSA-N 2 2 343.475 1.432 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001034135965 709406807 /nfs/dbraw/zinc/40/68/07/709406807.db2.gz HPMCAADWMLXPTR-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001034135965 709406808 /nfs/dbraw/zinc/40/68/08/709406808.db2.gz HPMCAADWMLXPTR-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC001034135965 709406809 /nfs/dbraw/zinc/40/68/09/709406809.db2.gz HPMCAADWMLXPTR-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC001034135965 709406810 /nfs/dbraw/zinc/40/68/10/709406810.db2.gz HPMCAADWMLXPTR-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP Cn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001034207731 709555991 /nfs/dbraw/zinc/55/59/91/709555991.db2.gz OCXUMGDBZRJYNT-FUHWJXTLSA-N 2 2 345.491 1.233 20 0 EDADLP Cn1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001034207731 709555992 /nfs/dbraw/zinc/55/59/92/709555992.db2.gz OCXUMGDBZRJYNT-FUHWJXTLSA-N 2 2 345.491 1.233 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001002953801 709654046 /nfs/dbraw/zinc/65/40/46/709654046.db2.gz CQNSHAGVZGYEMA-CZUORRHYSA-N 2 2 349.479 1.894 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001002953801 709654050 /nfs/dbraw/zinc/65/40/50/709654050.db2.gz CQNSHAGVZGYEMA-CZUORRHYSA-N 2 2 349.479 1.894 20 0 EDADLP Cc1nocc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034270823 709676001 /nfs/dbraw/zinc/67/60/01/709676001.db2.gz ITFDMFJJTOTPAZ-DLBZAZTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1nocc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034270823 709676004 /nfs/dbraw/zinc/67/60/04/709676004.db2.gz ITFDMFJJTOTPAZ-DLBZAZTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1nocc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034270823 709676008 /nfs/dbraw/zinc/67/60/08/709676008.db2.gz ITFDMFJJTOTPAZ-DLBZAZTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034270823 709676011 /nfs/dbraw/zinc/67/60/11/709676011.db2.gz ITFDMFJJTOTPAZ-DLBZAZTESA-N 2 2 334.464 1.938 20 0 EDADLP CO[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282975 709702772 /nfs/dbraw/zinc/70/27/72/709702772.db2.gz SFYTVXKAWSNYBV-ZIAGYGMSSA-N 2 2 338.452 1.355 20 0 EDADLP CO[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282975 709702776 /nfs/dbraw/zinc/70/27/76/709702776.db2.gz SFYTVXKAWSNYBV-ZIAGYGMSSA-N 2 2 338.452 1.355 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034310487 709753596 /nfs/dbraw/zinc/75/35/96/709753596.db2.gz YNTAMMCEIGPRQK-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034310487 709753599 /nfs/dbraw/zinc/75/35/99/709753599.db2.gz YNTAMMCEIGPRQK-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP O=C(NC1CC[NH+](Cc2cncs2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001003015992 709803253 /nfs/dbraw/zinc/80/32/53/709803253.db2.gz HRBHTKKZEUSPKA-HNNXBMFYSA-N 2 2 345.472 1.998 20 0 EDADLP Cc1nonc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034362504 709878466 /nfs/dbraw/zinc/87/84/66/709878466.db2.gz GPXSVYVXGUHGKM-BPUTZDHNSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034362504 709878470 /nfs/dbraw/zinc/87/84/70/709878470.db2.gz GPXSVYVXGUHGKM-BPUTZDHNSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034362504 709878475 /nfs/dbraw/zinc/87/84/75/709878475.db2.gz GPXSVYVXGUHGKM-BPUTZDHNSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034362504 709878479 /nfs/dbraw/zinc/87/84/79/709878479.db2.gz GPXSVYVXGUHGKM-BPUTZDHNSA-N 2 2 349.479 1.579 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](C/C=C\Cl)C2)C1 ZINC001034364330 709883444 /nfs/dbraw/zinc/88/34/44/709883444.db2.gz SPACQNSCVGCCHK-KMZHTNPJSA-N 2 2 343.899 1.819 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](C/C=C\Cl)C2)C1 ZINC001034364330 709883448 /nfs/dbraw/zinc/88/34/48/709883448.db2.gz SPACQNSCVGCCHK-KMZHTNPJSA-N 2 2 343.899 1.819 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](C/C=C\Cl)C2)C1 ZINC001034364330 709883452 /nfs/dbraw/zinc/88/34/52/709883452.db2.gz SPACQNSCVGCCHK-KMZHTNPJSA-N 2 2 343.899 1.819 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](C/C=C\Cl)C2)C1 ZINC001034364330 709883454 /nfs/dbraw/zinc/88/34/54/709883454.db2.gz SPACQNSCVGCCHK-KMZHTNPJSA-N 2 2 343.899 1.819 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034376879 709897040 /nfs/dbraw/zinc/89/70/40/709897040.db2.gz HRWRAEHWDGTPKW-KRWDZBQOSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034376879 709897047 /nfs/dbraw/zinc/89/70/47/709897047.db2.gz HRWRAEHWDGTPKW-KRWDZBQOSA-N 2 2 347.507 1.716 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034393627 709927448 /nfs/dbraw/zinc/92/74/48/709927448.db2.gz FSFONOGSGPFKKM-CABCVRRESA-N 2 2 336.505 1.956 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034393627 709927449 /nfs/dbraw/zinc/92/74/49/709927449.db2.gz FSFONOGSGPFKKM-CABCVRRESA-N 2 2 336.505 1.956 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3ccns3)C2)C1 ZINC001034393627 709927450 /nfs/dbraw/zinc/92/74/50/709927450.db2.gz FSFONOGSGPFKKM-CABCVRRESA-N 2 2 336.505 1.956 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3ccns3)C2)C1 ZINC001034393627 709927451 /nfs/dbraw/zinc/92/74/51/709927451.db2.gz FSFONOGSGPFKKM-CABCVRRESA-N 2 2 336.505 1.956 20 0 EDADLP Cc1nnc(C[N@H+]2CCCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001034431492 709999248 /nfs/dbraw/zinc/99/92/48/709999248.db2.gz LMNYTRISXRWFNL-INIZCTEOSA-N 2 2 349.479 1.581 20 0 EDADLP Cc1nnc(C[N@@H+]2CCCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001034431492 709999250 /nfs/dbraw/zinc/99/92/50/709999250.db2.gz LMNYTRISXRWFNL-INIZCTEOSA-N 2 2 349.479 1.581 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001034483759 710127827 /nfs/dbraw/zinc/12/78/27/710127827.db2.gz FNTKNLDVTJKWPJ-RDJZCZTQSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001034483759 710127831 /nfs/dbraw/zinc/12/78/31/710127831.db2.gz FNTKNLDVTJKWPJ-RDJZCZTQSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)co1 ZINC001034486995 710134530 /nfs/dbraw/zinc/13/45/30/710134530.db2.gz DEZMJUYQXKVLMZ-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)co1 ZINC001034486995 710134532 /nfs/dbraw/zinc/13/45/32/710134532.db2.gz DEZMJUYQXKVLMZ-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)co1 ZINC001034486995 710134533 /nfs/dbraw/zinc/13/45/33/710134533.db2.gz DEZMJUYQXKVLMZ-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)co1 ZINC001034486995 710134535 /nfs/dbraw/zinc/13/45/35/710134535.db2.gz DEZMJUYQXKVLMZ-JKSUJKDBSA-N 2 2 334.464 1.796 20 0 EDADLP CCn1cc(C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)nn1 ZINC001003244079 710166676 /nfs/dbraw/zinc/16/66/76/710166676.db2.gz IRIRCSWVIZEIFH-UHFFFAOYSA-N 2 2 346.479 1.007 20 0 EDADLP O=C(NC1CC[NH+](Cc2cscn2)CC1)C12CCC[NH+]1CCC2 ZINC001003245279 710168815 /nfs/dbraw/zinc/16/88/15/710168815.db2.gz XFEAMXBOXRRZJR-UHFFFAOYSA-N 2 2 334.489 1.852 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034534152 710195801 /nfs/dbraw/zinc/19/58/01/710195801.db2.gz INSYCHWTKWEBLK-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034534152 710195804 /nfs/dbraw/zinc/19/58/04/710195804.db2.gz INSYCHWTKWEBLK-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccn3)C2)C1 ZINC001034534152 710195807 /nfs/dbraw/zinc/19/58/07/710195807.db2.gz INSYCHWTKWEBLK-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccn3)C2)C1 ZINC001034534152 710195808 /nfs/dbraw/zinc/19/58/08/710195808.db2.gz INSYCHWTKWEBLK-ZWKOTPCHSA-N 2 2 346.475 1.273 20 0 EDADLP Cc1nc(CC[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC001034547548 710221882 /nfs/dbraw/zinc/22/18/82/710221882.db2.gz UQMQYKZUYKSUTQ-OAHLLOKOSA-N 2 2 347.488 1.861 20 0 EDADLP Cc1nc(CC[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC001034547548 710221885 /nfs/dbraw/zinc/22/18/85/710221885.db2.gz UQMQYKZUYKSUTQ-OAHLLOKOSA-N 2 2 347.488 1.861 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccon3)CC2)C1 ZINC001003481970 710368651 /nfs/dbraw/zinc/36/86/51/710368651.db2.gz OELZHGPZSPOZCK-OAHLLOKOSA-N 2 2 334.464 1.877 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccon3)CC2)C1 ZINC001003481970 710368653 /nfs/dbraw/zinc/36/86/53/710368653.db2.gz OELZHGPZSPOZCK-OAHLLOKOSA-N 2 2 334.464 1.877 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003744768 710527637 /nfs/dbraw/zinc/52/76/37/710527637.db2.gz HEHSWNMRDMUYRV-UHFFFAOYSA-N 2 2 333.480 1.233 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)o1 ZINC001003776222 710545326 /nfs/dbraw/zinc/54/53/26/710545326.db2.gz LDHOKHSJTSFIAJ-CVEARBPZSA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)o1 ZINC001003776222 710545329 /nfs/dbraw/zinc/54/53/29/710545329.db2.gz LDHOKHSJTSFIAJ-CVEARBPZSA-N 2 2 347.463 1.476 20 0 EDADLP COc1cccc(C[NH+]2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1C ZINC001044290179 710586610 /nfs/dbraw/zinc/58/66/10/710586610.db2.gz LMVMZZAFISNUKK-INIZCTEOSA-N 2 2 331.460 1.598 20 0 EDADLP COc1cccc(C[NH+]2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1C ZINC001044290179 710586612 /nfs/dbraw/zinc/58/66/12/710586612.db2.gz LMVMZZAFISNUKK-INIZCTEOSA-N 2 2 331.460 1.598 20 0 EDADLP CCc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)cc(C)[nH+]1 ZINC001061327630 710587901 /nfs/dbraw/zinc/58/79/01/710587901.db2.gz LEXICEOQUOKAKJ-CABCVRRESA-N 2 2 331.464 1.527 20 0 EDADLP CCc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)cc(C)[nH+]1 ZINC001061327630 710587902 /nfs/dbraw/zinc/58/79/02/710587902.db2.gz LEXICEOQUOKAKJ-CABCVRRESA-N 2 2 331.464 1.527 20 0 EDADLP CCc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C)nc(C)[nH+]1 ZINC001061327802 710591192 /nfs/dbraw/zinc/59/11/92/710591192.db2.gz MLHAGXQFDRRTAE-JKSUJKDBSA-N 2 2 331.464 1.527 20 0 EDADLP CCc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)nc(C)[nH+]1 ZINC001061327802 710591198 /nfs/dbraw/zinc/59/11/98/710591198.db2.gz MLHAGXQFDRRTAE-JKSUJKDBSA-N 2 2 331.464 1.527 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)C3CC[NH+](C(C)C)CC3)CC2)o1 ZINC001003892888 710839240 /nfs/dbraw/zinc/83/92/40/710839240.db2.gz ZRSGXQDTVJVAQY-UHFFFAOYSA-N 2 2 349.479 1.579 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001034713071 710842835 /nfs/dbraw/zinc/84/28/35/710842835.db2.gz MPOGULWIZAUPSD-ZOBUZTSGSA-N 2 2 341.471 1.616 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001034713071 710842839 /nfs/dbraw/zinc/84/28/39/710842839.db2.gz MPOGULWIZAUPSD-ZOBUZTSGSA-N 2 2 341.471 1.616 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001034775598 711049227 /nfs/dbraw/zinc/04/92/27/711049227.db2.gz DPLVZDPPVBRNFG-WKILWMFISA-N 2 2 345.422 1.714 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001034777829 711057078 /nfs/dbraw/zinc/05/70/78/711057078.db2.gz KYYRHYOCOBFTRZ-HDJSIYSDSA-N 2 2 347.488 1.679 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2nccnc2C)CC1 ZINC001034786680 711091404 /nfs/dbraw/zinc/09/14/04/711091404.db2.gz QTGVDEHLPYJWKP-SHTZXODSSA-N 2 2 342.447 1.576 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001032977028 711092218 /nfs/dbraw/zinc/09/22/18/711092218.db2.gz QVWJCQBFGQOQFV-SJORKVTESA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001032977028 711092224 /nfs/dbraw/zinc/09/22/24/711092224.db2.gz QVWJCQBFGQOQFV-SJORKVTESA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccc(F)cc2)C1 ZINC001032977028 711092228 /nfs/dbraw/zinc/09/22/28/711092228.db2.gz QVWJCQBFGQOQFV-SJORKVTESA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccc(F)cc2)C1 ZINC001032977028 711092233 /nfs/dbraw/zinc/09/22/33/711092233.db2.gz QVWJCQBFGQOQFV-SJORKVTESA-N 2 2 335.423 1.189 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034787114 711092680 /nfs/dbraw/zinc/09/26/80/711092680.db2.gz XZYKICNSUNKHOU-SHTZXODSSA-N 2 2 330.436 1.211 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc(C2CC2)[nH+]1 ZINC001061364988 711121147 /nfs/dbraw/zinc/12/11/47/711121147.db2.gz WCKSUGHDGNUTIH-HZPDHXFCSA-N 2 2 343.475 1.699 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nc(C2CC2)[nH+]1 ZINC001061364988 711121151 /nfs/dbraw/zinc/12/11/51/711121151.db2.gz WCKSUGHDGNUTIH-HZPDHXFCSA-N 2 2 343.475 1.699 20 0 EDADLP C[C@@H]1C[C@H](C[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC001003972098 711124636 /nfs/dbraw/zinc/12/46/36/711124636.db2.gz UVLYEWGFMZBPIJ-HUUCEWRRSA-N 2 2 334.464 1.358 20 0 EDADLP CO[C@H](C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1)C1CCCC1 ZINC001003973026 711127852 /nfs/dbraw/zinc/12/78/52/711127852.db2.gz DIMIRVUGOYEVOJ-GOSISDBHSA-N 2 2 348.491 1.748 20 0 EDADLP c1nn(C2CCC2)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000922339331 711142511 /nfs/dbraw/zinc/14/25/11/711142511.db2.gz ZFDXDQRCXTXXOU-SFHVURJKSA-N 2 2 347.507 1.494 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034819937 711220145 /nfs/dbraw/zinc/22/01/45/711220145.db2.gz CLZDRQAQGVWSRM-QGZVFWFLSA-N 2 2 343.431 1.460 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034819937 711220148 /nfs/dbraw/zinc/22/01/48/711220148.db2.gz CLZDRQAQGVWSRM-QGZVFWFLSA-N 2 2 343.431 1.460 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001034922340 711382946 /nfs/dbraw/zinc/38/29/46/711382946.db2.gz IYGCRBKLYQUTHN-OAHLLOKOSA-N 2 2 343.431 1.527 20 0 EDADLP Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001034937588 711438440 /nfs/dbraw/zinc/43/84/40/711438440.db2.gz YMJCVDZIQFDLHV-OAHLLOKOSA-N 2 2 349.479 1.723 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1 ZINC001034941838 711447016 /nfs/dbraw/zinc/44/70/16/711447016.db2.gz YUZRRPCOGTTXEG-QLFBSQMISA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n1 ZINC001034941838 711447017 /nfs/dbraw/zinc/44/70/17/711447017.db2.gz YUZRRPCOGTTXEG-QLFBSQMISA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001004150868 711566769 /nfs/dbraw/zinc/56/67/69/711566769.db2.gz VGOJGPFFCDWJSM-CYBMUJFWSA-N 2 2 336.505 1.738 20 0 EDADLP CCc1nc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001004150868 711566770 /nfs/dbraw/zinc/56/67/70/711566770.db2.gz VGOJGPFFCDWJSM-CYBMUJFWSA-N 2 2 336.505 1.738 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)c(C)o1 ZINC001004159517 711583869 /nfs/dbraw/zinc/58/38/69/711583869.db2.gz GSUAHOXHRKOYNX-UHFFFAOYSA-N 2 2 331.420 1.577 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004476009 711855801 /nfs/dbraw/zinc/85/58/01/711855801.db2.gz WTLDLQNMBFJRJP-IAGOWNOFSA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004476009 711855804 /nfs/dbraw/zinc/85/58/04/711855804.db2.gz WTLDLQNMBFJRJP-IAGOWNOFSA-N 2 2 346.475 1.141 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033141323 711943816 /nfs/dbraw/zinc/94/38/16/711943816.db2.gz DGQHQXZPRZFVOO-AEFFLSMTSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001033141323 711943819 /nfs/dbraw/zinc/94/38/19/711943819.db2.gz DGQHQXZPRZFVOO-AEFFLSMTSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccn(C)n3)C2)C1 ZINC001033141323 711943821 /nfs/dbraw/zinc/94/38/21/711943821.db2.gz DGQHQXZPRZFVOO-AEFFLSMTSA-N 2 2 347.507 1.431 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)C1 ZINC001033141323 711943823 /nfs/dbraw/zinc/94/38/23/711943823.db2.gz DGQHQXZPRZFVOO-AEFFLSMTSA-N 2 2 347.507 1.431 20 0 EDADLP CCCn1nccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051235908 214084224 /nfs/dbraw/zinc/08/42/24/214084224.db2.gz GEURWPFNRQGNFX-UHFFFAOYSA-N 2 2 348.495 1.973 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000051998295 214112040 /nfs/dbraw/zinc/11/20/40/214112040.db2.gz CDTGNHJSXBXHAM-UHFFFAOYSA-N 2 2 333.476 1.388 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000051998295 214112043 /nfs/dbraw/zinc/11/20/43/214112043.db2.gz CDTGNHJSXBXHAM-UHFFFAOYSA-N 2 2 333.476 1.388 20 0 EDADLP C[NH+](C)Cc1ccc(S(=O)(=O)N=c2cc[nH]c3cc[nH+]cc32)cc1 ZINC000340633257 282148286 /nfs/dbraw/zinc/14/82/86/282148286.db2.gz ILROTTLGPMZEBL-UHFFFAOYSA-N 2 2 342.424 1.914 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000175047464 231375219 /nfs/dbraw/zinc/37/52/19/231375219.db2.gz SEHQHHOCSLYGSZ-UHFFFAOYSA-N 2 2 348.447 1.605 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330000450 282251835 /nfs/dbraw/zinc/25/18/35/282251835.db2.gz WKUKAKFHIPXPPO-RDTXWAMCSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000330000450 282251836 /nfs/dbraw/zinc/25/18/36/282251836.db2.gz WKUKAKFHIPXPPO-RDTXWAMCSA-N 2 2 328.416 1.956 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328651688 539341176 /nfs/dbraw/zinc/34/11/76/539341176.db2.gz BQHYBUIJLNAYQB-HOTGVXAUSA-N 2 2 332.448 1.016 20 0 EDADLP CN(C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000346902565 282339185 /nfs/dbraw/zinc/33/91/85/282339185.db2.gz XRXABSJDAKUUFV-KBXCAEBGSA-N 2 2 333.480 1.356 20 0 EDADLP CN(C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000346902565 282339189 /nfs/dbraw/zinc/33/91/89/282339189.db2.gz XRXABSJDAKUUFV-KBXCAEBGSA-N 2 2 333.480 1.356 20 0 EDADLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000346902565 282339191 /nfs/dbraw/zinc/33/91/91/282339191.db2.gz XRXABSJDAKUUFV-KBXCAEBGSA-N 2 2 333.480 1.356 20 0 EDADLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000346902565 282339193 /nfs/dbraw/zinc/33/91/93/282339193.db2.gz XRXABSJDAKUUFV-KBXCAEBGSA-N 2 2 333.480 1.356 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000177996552 232052711 /nfs/dbraw/zinc/05/27/11/232052711.db2.gz GSNGYPMWWURVBQ-GJZGRUSLSA-N 2 2 337.489 1.488 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000177996552 232052714 /nfs/dbraw/zinc/05/27/14/232052714.db2.gz GSNGYPMWWURVBQ-GJZGRUSLSA-N 2 2 337.489 1.488 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000178663473 232350752 /nfs/dbraw/zinc/35/07/52/232350752.db2.gz JXCLLNOMWOBXDL-UHFFFAOYSA-N 2 2 330.457 1.868 20 0 EDADLP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000561147719 306282612 /nfs/dbraw/zinc/28/26/12/306282612.db2.gz YRQMSZOHZMOGBP-ZWKOTPCHSA-N 2 2 346.475 1.268 20 0 EDADLP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000561147719 306282613 /nfs/dbraw/zinc/28/26/13/306282613.db2.gz YRQMSZOHZMOGBP-ZWKOTPCHSA-N 2 2 346.475 1.268 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000561146324 306282615 /nfs/dbraw/zinc/28/26/15/306282615.db2.gz ABNFKAFPMGLWAW-CZUORRHYSA-N 2 2 345.422 1.947 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000561258948 306285770 /nfs/dbraw/zinc/28/57/70/306285770.db2.gz KCHPWPLWUBVTDW-HUUCEWRRSA-N 2 2 332.448 1.063 20 0 EDADLP CC[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000248589790 539690007 /nfs/dbraw/zinc/69/00/07/539690007.db2.gz KRSDGUMIXBUYIQ-IXDOHACOSA-N 2 2 346.475 1.666 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000343018625 539777899 /nfs/dbraw/zinc/77/78/99/539777899.db2.gz WUGHKQHYBHPPQB-KGLIPLIRSA-N 2 2 335.452 1.310 20 0 EDADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104087553 219346549 /nfs/dbraw/zinc/34/65/49/219346549.db2.gz FLJATVCGPRYBNF-QGZVFWFLSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087553 219346552 /nfs/dbraw/zinc/34/65/52/219346552.db2.gz FLJATVCGPRYBNF-QGZVFWFLSA-N 2 2 344.503 1.403 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2ccncc2OCC[NH+](C)C)CC1 ZINC000343929812 539800460 /nfs/dbraw/zinc/80/04/60/539800460.db2.gz LRRXXBIPKMZXGE-UHFFFAOYSA-N 3 2 336.480 1.222 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC(n2cc[nH+]c2)CC1 ZINC000562275631 306294008 /nfs/dbraw/zinc/29/40/08/306294008.db2.gz RWTIVUPROYEYLR-UHFFFAOYSA-N 2 2 329.404 1.944 20 0 EDADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000562331741 306295850 /nfs/dbraw/zinc/29/58/50/306295850.db2.gz RNFRQJWOHKJCDR-BQUDOFGOSA-N 2 2 331.464 1.438 20 0 EDADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cn1 ZINC000562331741 306295851 /nfs/dbraw/zinc/29/58/51/306295851.db2.gz RNFRQJWOHKJCDR-BQUDOFGOSA-N 2 2 331.464 1.438 20 0 EDADLP NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028082 215354374 /nfs/dbraw/zinc/35/43/74/215354374.db2.gz MLXNCZSVMJFBEY-QGZVFWFLSA-N 2 2 335.423 1.396 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000152533353 539817345 /nfs/dbraw/zinc/81/73/45/539817345.db2.gz SLCVGYASWZETOS-JQHSSLGASA-N 2 2 346.475 1.404 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000152533353 539817350 /nfs/dbraw/zinc/81/73/50/539817350.db2.gz SLCVGYASWZETOS-JQHSSLGASA-N 2 2 346.475 1.404 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000152533353 539817357 /nfs/dbraw/zinc/81/73/57/539817357.db2.gz SLCVGYASWZETOS-JQHSSLGASA-N 2 2 346.475 1.404 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152533353 539817363 /nfs/dbraw/zinc/81/73/63/539817363.db2.gz SLCVGYASWZETOS-JQHSSLGASA-N 2 2 346.475 1.404 20 0 EDADLP c1[nH+]c2c(n1Cc1nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no1)CCCC2 ZINC000350137857 539871701 /nfs/dbraw/zinc/87/17/01/539871701.db2.gz YUQPNSVXQYSWDE-WFASDCNBSA-N 2 2 329.404 1.729 20 0 EDADLP c1[nH+]c2c(n1Cc1nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no1)CCCC2 ZINC000350137857 539871704 /nfs/dbraw/zinc/87/17/04/539871704.db2.gz YUQPNSVXQYSWDE-WFASDCNBSA-N 2 2 329.404 1.729 20 0 EDADLP Cc1ccc(CCC[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c[nH+]1 ZINC000354328916 539942102 /nfs/dbraw/zinc/94/21/02/539942102.db2.gz JYBBYCGBCUKIDH-UHFFFAOYSA-N 3 2 332.492 1.855 20 0 EDADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000562839968 306311151 /nfs/dbraw/zinc/31/11/51/306311151.db2.gz LNAPUBHVTZLRCR-NVXWUHKLSA-N 2 2 341.459 1.701 20 0 EDADLP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000562839968 306311152 /nfs/dbraw/zinc/31/11/52/306311152.db2.gz LNAPUBHVTZLRCR-NVXWUHKLSA-N 2 2 341.459 1.701 20 0 EDADLP C[C@@H]1c2nncn2CC[NH+]1CCCCC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000361984910 540003711 /nfs/dbraw/zinc/00/37/11/540003711.db2.gz LZPYXTPNZKFLKD-HUUCEWRRSA-N 2 2 344.467 1.493 20 0 EDADLP C[C@@H]1c2nncn2CC[NH+]1CCCCC[N@H+]1CCn2cnnc2[C@H]1C ZINC000361984910 540003712 /nfs/dbraw/zinc/00/37/12/540003712.db2.gz LZPYXTPNZKFLKD-HUUCEWRRSA-N 2 2 344.467 1.493 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1c[nH]c(C)n1)[C@H]1CC12CC[NH2+]CC2 ZINC000563158891 306320794 /nfs/dbraw/zinc/32/07/94/306320794.db2.gz ZBYYXJLZEAPHIA-HNNXBMFYSA-N 2 2 342.447 1.719 20 0 EDADLP Cc1cnn(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050797199 138132967 /nfs/dbraw/zinc/13/29/67/138132967.db2.gz SYAWAZJDSXONHE-UHFFFAOYSA-N 2 2 333.480 1.256 20 0 EDADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccccc2-n2cc[nH+]c2)CC1=O ZINC000074198703 138227258 /nfs/dbraw/zinc/22/72/58/138227258.db2.gz INQNZTZZNDZEQR-CQSZACIVSA-N 2 2 341.415 1.221 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836026 138244214 /nfs/dbraw/zinc/24/42/14/138244214.db2.gz PDHUTJVQENUWCV-INIZCTEOSA-N 2 2 348.491 1.659 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836026 138244215 /nfs/dbraw/zinc/24/42/15/138244215.db2.gz PDHUTJVQENUWCV-INIZCTEOSA-N 2 2 348.491 1.659 20 0 EDADLP C[N@@H+](CC(=O)NC1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110182 138247080 /nfs/dbraw/zinc/24/70/80/138247080.db2.gz MCYREHDHCSFHSC-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP C[N@H+](CC(=O)NC1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110182 138247081 /nfs/dbraw/zinc/24/70/81/138247081.db2.gz MCYREHDHCSFHSC-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CC(=O)NC1CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110182 138247082 /nfs/dbraw/zinc/24/70/82/138247082.db2.gz MCYREHDHCSFHSC-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CC(=O)NC1CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110182 138247083 /nfs/dbraw/zinc/24/70/83/138247083.db2.gz MCYREHDHCSFHSC-GOSISDBHSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC000093257018 138292755 /nfs/dbraw/zinc/29/27/55/138292755.db2.gz JHKZBGZBJSGXBG-UHFFFAOYSA-N 2 2 349.450 1.581 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+]1CCOCC1 ZINC000124854084 138330091 /nfs/dbraw/zinc/33/00/91/138330091.db2.gz FURPHIVZOBIRQK-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+]1CCOCC1 ZINC000124854084 138330092 /nfs/dbraw/zinc/33/00/92/138330092.db2.gz FURPHIVZOBIRQK-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP C[C@]1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[NH2+]C1 ZINC000563601508 306341377 /nfs/dbraw/zinc/34/13/77/306341377.db2.gz SPGVQQIYZPCOBV-SFHVURJKSA-N 2 2 331.464 1.299 20 0 EDADLP CC(C)[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000563875022 306350950 /nfs/dbraw/zinc/35/09/50/306350950.db2.gz GOYMOVYRRMBRCE-BBRMVZONSA-N 2 2 340.418 1.946 20 0 EDADLP CC(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000563875022 306350951 /nfs/dbraw/zinc/35/09/51/306350951.db2.gz GOYMOVYRRMBRCE-BBRMVZONSA-N 2 2 340.418 1.946 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000563945413 306352876 /nfs/dbraw/zinc/35/28/76/306352876.db2.gz IDJQTDGTOYWLQW-LZWOXQAQSA-N 2 2 327.432 1.901 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000563945415 306352957 /nfs/dbraw/zinc/35/29/57/306352957.db2.gz IDJQTDGTOYWLQW-SQWLQELKSA-N 2 2 327.432 1.901 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000564662952 306362802 /nfs/dbraw/zinc/36/28/02/306362802.db2.gz ZGEMDLNKWDOGMT-LZWOXQAQSA-N 2 2 334.464 1.322 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000564662952 306362803 /nfs/dbraw/zinc/36/28/03/306362803.db2.gz ZGEMDLNKWDOGMT-LZWOXQAQSA-N 2 2 334.464 1.322 20 0 EDADLP Cc1nn(C)c2ncc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc12 ZINC000129246952 223036369 /nfs/dbraw/zinc/03/63/69/223036369.db2.gz AQGXCMBOQDUCGJ-HNNXBMFYSA-N 2 2 329.448 1.431 20 0 EDADLP Cc1nn(C)c2ncc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc12 ZINC000129246952 223036373 /nfs/dbraw/zinc/03/63/73/223036373.db2.gz AQGXCMBOQDUCGJ-HNNXBMFYSA-N 2 2 329.448 1.431 20 0 EDADLP c1ccc(-c2noc(CC[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000129333358 223045918 /nfs/dbraw/zinc/04/59/18/223045918.db2.gz OHEGCCXMIJTPBH-MRXNPFEDSA-N 2 2 342.443 1.933 20 0 EDADLP c1ccc(-c2noc(CC[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000129333358 223045921 /nfs/dbraw/zinc/04/59/21/223045921.db2.gz OHEGCCXMIJTPBH-MRXNPFEDSA-N 2 2 342.443 1.933 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000129489267 223060883 /nfs/dbraw/zinc/06/08/83/223060883.db2.gz OKWHTMXLHCMHHP-AWEZNQCLSA-N 2 2 328.420 1.360 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000129916090 223103336 /nfs/dbraw/zinc/10/33/36/223103336.db2.gz OOSGLBQGXNYGLS-IJEWVQPXSA-N 2 2 339.505 1.755 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000129916090 223103338 /nfs/dbraw/zinc/10/33/38/223103338.db2.gz OOSGLBQGXNYGLS-IJEWVQPXSA-N 2 2 339.505 1.755 20 0 EDADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000131343121 223224638 /nfs/dbraw/zinc/22/46/38/223224638.db2.gz HXLRGCAKHLGCKM-OAHLLOKOSA-N 2 2 344.381 1.994 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1CCOC ZINC000565836122 306393129 /nfs/dbraw/zinc/39/31/29/306393129.db2.gz MQFHGALZKZPPLR-RTBURBONSA-N 2 2 345.487 1.660 20 0 EDADLP COC(=O)C[NH+]1CCC(N(CC[NH3+])c2ccc3ccccc3n2)CC1 ZINC000414489306 304119858 /nfs/dbraw/zinc/11/98/58/304119858.db2.gz NAFMFJVOBIQSAE-UHFFFAOYSA-N 2 2 342.443 1.637 20 0 EDADLP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000458307080 296074668 /nfs/dbraw/zinc/07/46/68/296074668.db2.gz GQUXEUCSQZIGLL-HUUCEWRRSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[NH+]1CCSCC1 ZINC000132966524 223376918 /nfs/dbraw/zinc/37/69/18/223376918.db2.gz PDVIWQQOLFMPDW-CQSZACIVSA-N 2 2 349.504 1.209 20 0 EDADLP CC(C)(C)[NH2+]CCN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000414730215 304133662 /nfs/dbraw/zinc/13/36/62/304133662.db2.gz AIGKWJFIQWCITR-GOSISDBHSA-N 2 2 344.503 1.798 20 0 EDADLP Brc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc2c1OCCCO2 ZINC000415030512 304152626 /nfs/dbraw/zinc/15/26/26/304152626.db2.gz FAHIPKGQESCWPF-YABSGUDNSA-N 2 2 339.233 1.918 20 0 EDADLP CC(C)[C@@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000194977548 139003637 /nfs/dbraw/zinc/00/36/37/139003637.db2.gz WEYPEOHWCDFYDF-MSOLQXFVSA-N 2 2 342.491 1.756 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2CCC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000195155753 139008084 /nfs/dbraw/zinc/00/80/84/139008084.db2.gz JHIVGXNQUGJRMO-ROUUACIJSA-N 2 2 331.460 1.484 20 0 EDADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236738377 139029985 /nfs/dbraw/zinc/02/99/85/139029985.db2.gz LQOKVUODPYVRRH-INIZCTEOSA-N 2 2 333.480 1.035 20 0 EDADLP CC[C@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000236932044 139035485 /nfs/dbraw/zinc/03/54/85/139035485.db2.gz AZJYFQCCHWKAPA-GJZGRUSLSA-N 2 2 332.404 1.380 20 0 EDADLP CN(C[C@H]1CCOC1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237240424 139045465 /nfs/dbraw/zinc/04/54/65/139045465.db2.gz FDTGVPQGIXTRIR-AEFFLSMTSA-N 2 2 342.443 1.296 20 0 EDADLP COc1ccnc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000111241477 220122550 /nfs/dbraw/zinc/12/25/50/220122550.db2.gz SWHBXRRUWINXNI-UHFFFAOYSA-N 2 2 346.475 1.466 20 0 EDADLP C[C@@H](O)C[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000341155160 296194100 /nfs/dbraw/zinc/19/41/00/296194100.db2.gz GAHQBAVJTNMSFD-JKSUJKDBSA-N 2 2 340.512 1.395 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000237541800 139053524 /nfs/dbraw/zinc/05/35/24/139053524.db2.gz CKMMTPCJWCGUHA-HOTGVXAUSA-N 2 2 330.476 1.256 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000237605919 139055390 /nfs/dbraw/zinc/05/53/90/139055390.db2.gz CUDPNEZMDUWZQD-SFHVURJKSA-N 2 2 342.443 1.506 20 0 EDADLP CC[N@H+](CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000111595408 220167920 /nfs/dbraw/zinc/16/79/20/220167920.db2.gz HWZFAOIIHPVNGK-UHFFFAOYSA-N 2 2 333.476 1.979 20 0 EDADLP CC[N@@H+](CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000111595408 220167925 /nfs/dbraw/zinc/16/79/25/220167925.db2.gz HWZFAOIIHPVNGK-UHFFFAOYSA-N 2 2 333.476 1.979 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000237892236 139062998 /nfs/dbraw/zinc/06/29/98/139062998.db2.gz PMCSTKLDHKUTNH-DLBZAZTESA-N 2 2 331.460 1.727 20 0 EDADLP CC[NH+]1CCN(C(=O)CNc2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000112077664 220240139 /nfs/dbraw/zinc/24/01/39/220240139.db2.gz UHLYUITXLOUAKE-UHFFFAOYSA-N 2 2 340.431 1.423 20 0 EDADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C[NH+]1CCOCC1)CC2 ZINC000245655700 139082064 /nfs/dbraw/zinc/08/20/64/139082064.db2.gz CMJMBDYQLWBGID-ZACQAIPSSA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C[NH+]1CCOCC1)CC2 ZINC000245655700 139082065 /nfs/dbraw/zinc/08/20/65/139082065.db2.gz CMJMBDYQLWBGID-ZACQAIPSSA-N 2 2 338.496 1.364 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@H]21 ZINC000247284315 139143571 /nfs/dbraw/zinc/14/35/71/139143571.db2.gz SZIDYBAPEJJUTB-HZPDHXFCSA-N 2 2 327.432 1.960 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@H]21 ZINC000247284315 139143572 /nfs/dbraw/zinc/14/35/72/139143572.db2.gz SZIDYBAPEJJUTB-HZPDHXFCSA-N 2 2 327.432 1.960 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000247327930 139145116 /nfs/dbraw/zinc/14/51/16/139145116.db2.gz WRHGMAGOVNBZTH-VVLHAWIVSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000247327930 139145117 /nfs/dbraw/zinc/14/51/17/139145117.db2.gz WRHGMAGOVNBZTH-VVLHAWIVSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+](C)CCN(CC[NH+](C)C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000568681945 306486996 /nfs/dbraw/zinc/48/69/96/306486996.db2.gz GGCNBACBFQTQJL-UHFFFAOYSA-N 3 2 329.492 1.857 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000247789350 139155022 /nfs/dbraw/zinc/15/50/22/139155022.db2.gz YXHLVSLQSLUJGK-OWCLPIDISA-N 2 2 335.452 1.196 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000093394906 218221315 /nfs/dbraw/zinc/22/13/15/218221315.db2.gz GGSDCSCKWHLBDT-UHFFFAOYSA-N 2 2 332.492 1.960 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000093394906 218221318 /nfs/dbraw/zinc/22/13/18/218221318.db2.gz GGSDCSCKWHLBDT-UHFFFAOYSA-N 2 2 332.492 1.960 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2c1 ZINC000093821464 218252606 /nfs/dbraw/zinc/25/26/06/218252606.db2.gz BKKQYXNTPHVNKA-QGZVFWFLSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2c1 ZINC000093821464 218252609 /nfs/dbraw/zinc/25/26/09/218252609.db2.gz BKKQYXNTPHVNKA-QGZVFWFLSA-N 2 2 341.459 1.381 20 0 EDADLP C[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249925746 139200049 /nfs/dbraw/zinc/20/00/49/139200049.db2.gz ZVNVEMRGRLTCEL-BZUAXINKSA-N 2 2 346.475 1.796 20 0 EDADLP COc1cc(OC)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000261760578 139223837 /nfs/dbraw/zinc/22/38/37/139223837.db2.gz VTGNQJAGPOHYKU-AWEZNQCLSA-N 2 2 335.448 1.192 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261863955 139232363 /nfs/dbraw/zinc/23/23/63/139232363.db2.gz SLLPWYNUSXLCQT-QWQRMKEZSA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261863955 139232364 /nfs/dbraw/zinc/23/23/64/139232364.db2.gz SLLPWYNUSXLCQT-QWQRMKEZSA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1)[NH+]1CCOCC1 ZINC000261893991 139234685 /nfs/dbraw/zinc/23/46/85/139234685.db2.gz VVFCCVIMDUUXBD-XYPHTWIQSA-N 2 2 333.432 1.525 20 0 EDADLP C([NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1([NH+]2CCCC2)CCOCC1 ZINC000261875881 139233195 /nfs/dbraw/zinc/23/31/95/139233195.db2.gz DRLNEBSAPFEUED-FGTMMUONSA-N 3 2 337.508 1.378 20 0 EDADLP Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000262078313 139249177 /nfs/dbraw/zinc/24/91/77/139249177.db2.gz SUYNKQCSNAYMBC-OAHLLOKOSA-N 2 2 328.445 1.814 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)c[nH+]1 ZINC000416993308 251121372 /nfs/dbraw/zinc/12/13/72/251121372.db2.gz SDIKOVPHWOKKOL-LBPRGKRZSA-N 2 2 329.395 1.710 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)c[nH+]1 ZINC000416990965 251121641 /nfs/dbraw/zinc/12/16/41/251121641.db2.gz PWOJCXILDZQFMU-OAHLLOKOSA-N 2 2 335.452 1.106 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)C[C@H]3COCC[NH2+]3)c[nH+]2)CC1 ZINC000262321477 139269948 /nfs/dbraw/zinc/26/99/48/139269948.db2.gz CUQKDRGTPBWRIT-INIZCTEOSA-N 2 2 332.448 1.313 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262323191 139270192 /nfs/dbraw/zinc/27/01/92/139270192.db2.gz CZFCEGFMIPBPLR-WQVCFCJDSA-N 2 2 337.851 1.268 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000417653361 251213467 /nfs/dbraw/zinc/21/34/67/251213467.db2.gz AYZMRIACBPJUBN-SMDDNHRTSA-N 2 2 326.391 1.571 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)c1 ZINC000262438472 139278954 /nfs/dbraw/zinc/27/89/54/139278954.db2.gz UOHJIWANEHWKDX-CQSZACIVSA-N 2 2 347.459 1.204 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)[C@@H](C)C[NH2+]1 ZINC000415578188 304230774 /nfs/dbraw/zinc/23/07/74/304230774.db2.gz ZPVCYNKEEIVUET-OLZOCXBDSA-N 2 2 341.415 1.234 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000417832638 251290191 /nfs/dbraw/zinc/29/01/91/251290191.db2.gz DGXGZLVNWULVET-MRXNPFEDSA-N 2 2 327.432 1.662 20 0 EDADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)NC[C@H]1CC[NH2+]C1 ZINC000417838596 251291805 /nfs/dbraw/zinc/29/18/05/251291805.db2.gz JOKZYVOWROLIPC-INIZCTEOSA-N 2 2 327.432 1.535 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417785461 251269407 /nfs/dbraw/zinc/26/94/07/251269407.db2.gz CXFSDNMUHMWUGW-GJZGRUSLSA-N 2 2 344.450 1.795 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417785461 251269412 /nfs/dbraw/zinc/26/94/12/251269412.db2.gz CXFSDNMUHMWUGW-GJZGRUSLSA-N 2 2 344.450 1.795 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCOCC2)s1 ZINC000417810380 251278513 /nfs/dbraw/zinc/27/85/13/251278513.db2.gz BUFPOBRTIBMGDT-OCCSQVGLSA-N 2 2 340.493 1.418 20 0 EDADLP C[C@@H](NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000417811064 251279117 /nfs/dbraw/zinc/27/91/17/251279117.db2.gz CTQITHNESDAYNH-XJFOESAGSA-N 2 2 340.493 1.545 20 0 EDADLP C[C@@H](NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000417811064 251279120 /nfs/dbraw/zinc/27/91/20/251279120.db2.gz CTQITHNESDAYNH-XJFOESAGSA-N 2 2 340.493 1.545 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCCO1 ZINC000418113882 251328532 /nfs/dbraw/zinc/32/85/32/251328532.db2.gz KHXDZGRXCUWPEU-KGLIPLIRSA-N 2 2 348.438 1.031 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCCO1 ZINC000418113882 251328536 /nfs/dbraw/zinc/32/85/36/251328536.db2.gz KHXDZGRXCUWPEU-KGLIPLIRSA-N 2 2 348.438 1.031 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NCC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000262659777 139294033 /nfs/dbraw/zinc/29/40/33/139294033.db2.gz NKRGQPSZEAKXRU-SFHVURJKSA-N 2 2 332.492 1.385 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CSC[NH2+]3)n2)C1 ZINC000262673091 139295317 /nfs/dbraw/zinc/29/53/17/139295317.db2.gz SAQBQCGEALOPRI-PWSUYJOCSA-N 2 2 326.491 1.976 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CSC[NH2+]3)n2)C1 ZINC000262673091 139295318 /nfs/dbraw/zinc/29/53/18/139295318.db2.gz SAQBQCGEALOPRI-PWSUYJOCSA-N 2 2 326.491 1.976 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@](C)([NH3+])CCC)CC2)cn1 ZINC000262717086 139298513 /nfs/dbraw/zinc/29/85/13/139298513.db2.gz WCWTZSBVSUZYQL-SFHVURJKSA-N 2 2 335.496 1.845 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@](C)([NH3+])CCC)CC2)cn1 ZINC000262717086 139298514 /nfs/dbraw/zinc/29/85/14/139298514.db2.gz WCWTZSBVSUZYQL-SFHVURJKSA-N 2 2 335.496 1.845 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1coc(C[NH3+])c1 ZINC000262775479 139302739 /nfs/dbraw/zinc/30/27/39/139302739.db2.gz JEFOPVBJLZCJQX-HNNXBMFYSA-N 2 2 342.443 1.679 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422878746 252008065 /nfs/dbraw/zinc/00/80/65/252008065.db2.gz KNFXCEIPXLBSNZ-QFBILLFUSA-N 2 2 344.503 1.975 20 0 EDADLP C(N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1([NH+]2CCSCC2)CCCC1 ZINC000422844672 251997865 /nfs/dbraw/zinc/99/78/65/251997865.db2.gz MPZNUEJZUDYAHA-DLBZAZTESA-N 2 2 339.549 1.705 20 0 EDADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1(N2CCSCC2)CCCC1 ZINC000422844672 251997867 /nfs/dbraw/zinc/99/78/67/251997867.db2.gz MPZNUEJZUDYAHA-DLBZAZTESA-N 2 2 339.549 1.705 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000423008018 252025509 /nfs/dbraw/zinc/02/55/09/252025509.db2.gz ZCQBACHSQXVZQH-AVGNSLFASA-N 2 2 332.491 1.003 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000423864799 252096602 /nfs/dbraw/zinc/09/66/02/252096602.db2.gz ZMEOBEJRGXQPTO-SOLBZPMBSA-N 2 2 345.487 1.974 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000423864799 252096605 /nfs/dbraw/zinc/09/66/05/252096605.db2.gz ZMEOBEJRGXQPTO-SOLBZPMBSA-N 2 2 345.487 1.974 20 0 EDADLP [NH3+][C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1c(F)cccc1F ZINC000423809239 252084641 /nfs/dbraw/zinc/08/46/41/252084641.db2.gz YENOTWRUFFHVQB-MEDUHNTESA-N 2 2 332.354 1.755 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424142067 252142278 /nfs/dbraw/zinc/14/22/78/252142278.db2.gz DAMOERTZHKEQAK-DOTOQJQBSA-N 2 2 325.497 1.901 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424142067 252142280 /nfs/dbraw/zinc/14/22/80/252142280.db2.gz DAMOERTZHKEQAK-DOTOQJQBSA-N 2 2 325.497 1.901 20 0 EDADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263013375 139317766 /nfs/dbraw/zinc/31/77/66/139317766.db2.gz PYYOFHREECRAIN-RYUDHWBXSA-N 2 2 329.416 1.998 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000569711547 306517356 /nfs/dbraw/zinc/51/73/56/306517356.db2.gz MEGFJCUTVHERLT-ZWNOBZJWSA-N 2 2 349.859 1.345 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000263031739 139318768 /nfs/dbraw/zinc/31/87/68/139318768.db2.gz RZUJAVTVCJGGOV-JQWIXIFHSA-N 2 2 329.416 1.608 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000263031739 139318769 /nfs/dbraw/zinc/31/87/69/139318769.db2.gz RZUJAVTVCJGGOV-JQWIXIFHSA-N 2 2 329.416 1.608 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000263039871 139319224 /nfs/dbraw/zinc/31/92/24/139319224.db2.gz SRLVOQZPPCRCAB-HKUYNNGSSA-N 2 2 331.460 1.944 20 0 EDADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000263293613 139333772 /nfs/dbraw/zinc/33/37/72/139333772.db2.gz WAHPDMGGVOISJT-CRAIPNDOSA-N 2 2 332.448 1.442 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3nnc(C4CC4)n3C)CC2)CC1 ZINC000112358266 220312186 /nfs/dbraw/zinc/31/21/86/220312186.db2.gz TUMOJAYGKGPUPI-UHFFFAOYSA-N 2 2 346.523 1.685 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000487652988 255033756 /nfs/dbraw/zinc/03/37/56/255033756.db2.gz HQDDTTLPCAGQNT-OAHLLOKOSA-N 2 2 349.479 1.084 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000487652988 255033758 /nfs/dbraw/zinc/03/37/58/255033758.db2.gz HQDDTTLPCAGQNT-OAHLLOKOSA-N 2 2 349.479 1.084 20 0 EDADLP C[N@H+](CCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)C1CCCCC1 ZINC000488621907 255047032 /nfs/dbraw/zinc/04/70/32/255047032.db2.gz LCXGXJSAUBLZMI-QGZVFWFLSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@@H+](CCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)C1CCCCC1 ZINC000488621907 255047033 /nfs/dbraw/zinc/04/70/33/255047033.db2.gz LCXGXJSAUBLZMI-QGZVFWFLSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+](CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1CCCCC1 ZINC000488621907 255047034 /nfs/dbraw/zinc/04/70/34/255047034.db2.gz LCXGXJSAUBLZMI-QGZVFWFLSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+](CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C1CCCCC1 ZINC000488621907 255047035 /nfs/dbraw/zinc/04/70/35/255047035.db2.gz LCXGXJSAUBLZMI-QGZVFWFLSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC1(C)C ZINC000489495320 255068431 /nfs/dbraw/zinc/06/84/31/255068431.db2.gz BPMLNODAMWHRTE-GOSISDBHSA-N 2 2 345.487 1.865 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC1(C)C ZINC000489495320 255068433 /nfs/dbraw/zinc/06/84/33/255068433.db2.gz BPMLNODAMWHRTE-GOSISDBHSA-N 2 2 345.487 1.865 20 0 EDADLP CCn1nccc1/C=C\C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000492244318 255164979 /nfs/dbraw/zinc/16/49/79/255164979.db2.gz SPKWUITUUWVOFM-PLNGDYQASA-N 2 2 345.491 1.591 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000493558057 255215569 /nfs/dbraw/zinc/21/55/69/255215569.db2.gz QJJZLWFPOOVKHT-BTKRWWFXSA-N 2 2 338.249 1.564 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000493969615 255228851 /nfs/dbraw/zinc/22/88/51/255228851.db2.gz OSVDMHMNKWWDSQ-QWHCGFSZSA-N 2 2 345.447 1.359 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493245932 255199149 /nfs/dbraw/zinc/19/91/49/255199149.db2.gz ASKMQNYEAYCLJY-DWTRPJMMSA-N 2 2 325.416 1.798 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493245932 255199150 /nfs/dbraw/zinc/19/91/50/255199150.db2.gz ASKMQNYEAYCLJY-DWTRPJMMSA-N 2 2 325.416 1.798 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495377639 255282488 /nfs/dbraw/zinc/28/24/88/255282488.db2.gz RPUSPADXCONCPC-KRWDZBQOSA-N 2 2 329.485 1.537 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495377639 255282489 /nfs/dbraw/zinc/28/24/89/255282489.db2.gz RPUSPADXCONCPC-KRWDZBQOSA-N 2 2 329.485 1.537 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cn[nH]c1 ZINC000494671409 255257157 /nfs/dbraw/zinc/25/71/57/255257157.db2.gz VPMCRKQYBPUWLW-HZPDHXFCSA-N 2 2 341.459 1.966 20 0 EDADLP CCc1cc(N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nc(C)[nH+]1 ZINC000495120673 255269406 /nfs/dbraw/zinc/26/94/06/255269406.db2.gz CTQRPHOIRBKDGO-OAHLLOKOSA-N 2 2 349.479 1.993 20 0 EDADLP CCc1cc(N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nc(C)[nH+]1 ZINC000495120673 255269407 /nfs/dbraw/zinc/26/94/07/255269407.db2.gz CTQRPHOIRBKDGO-OAHLLOKOSA-N 2 2 349.479 1.993 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495755653 255321502 /nfs/dbraw/zinc/32/15/02/255321502.db2.gz WLYALPROHPVECO-KKUMJFAQSA-N 2 2 329.485 1.989 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495755653 255321503 /nfs/dbraw/zinc/32/15/03/255321503.db2.gz WLYALPROHPVECO-KKUMJFAQSA-N 2 2 329.485 1.989 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000496203770 255363867 /nfs/dbraw/zinc/36/38/67/255363867.db2.gz CKLTZJPAFOGOEA-CQSZACIVSA-N 2 2 329.485 1.726 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000496203770 255363868 /nfs/dbraw/zinc/36/38/68/255363868.db2.gz CKLTZJPAFOGOEA-CQSZACIVSA-N 2 2 329.485 1.726 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000495848869 255331093 /nfs/dbraw/zinc/33/10/93/255331093.db2.gz HGMRZXKWCOCZPR-CVEARBPZSA-N 2 2 327.469 1.384 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000495848869 255331094 /nfs/dbraw/zinc/33/10/94/255331094.db2.gz HGMRZXKWCOCZPR-CVEARBPZSA-N 2 2 327.469 1.384 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000495848869 255331095 /nfs/dbraw/zinc/33/10/95/255331095.db2.gz HGMRZXKWCOCZPR-CVEARBPZSA-N 2 2 327.469 1.384 20 0 EDADLP CCN(C)C(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000495848869 255331096 /nfs/dbraw/zinc/33/10/96/255331096.db2.gz HGMRZXKWCOCZPR-CVEARBPZSA-N 2 2 327.469 1.384 20 0 EDADLP COC(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000495992266 255338457 /nfs/dbraw/zinc/33/84/57/255338457.db2.gz VFXVBMACSHLYLP-UHFFFAOYSA-N 2 2 333.432 1.403 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000119345967 221299811 /nfs/dbraw/zinc/29/98/11/221299811.db2.gz SEWBAQIMVWYYNF-AWEZNQCLSA-N 2 2 333.436 1.394 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000264216843 139387718 /nfs/dbraw/zinc/38/77/18/139387718.db2.gz IVFUUTSZAHWUOW-SFHVURJKSA-N 2 2 341.459 1.296 20 0 EDADLP C[NH+](C)CCOc1ccc(CCNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000264309857 139396002 /nfs/dbraw/zinc/39/60/02/139396002.db2.gz ZCXHAKDUWTWFDK-UHFFFAOYSA-N 2 2 345.447 1.365 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C(=O)OC)C(C)C)C[C@@H]1C ZINC000351521725 285395148 /nfs/dbraw/zinc/39/51/48/285395148.db2.gz VRLFIRVDEVYBQV-OFQRWUPVSA-N 2 2 327.469 1.105 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C(=O)OC)C(C)C)C[C@@H]1C ZINC000351521725 285395150 /nfs/dbraw/zinc/39/51/50/285395150.db2.gz VRLFIRVDEVYBQV-OFQRWUPVSA-N 2 2 327.469 1.105 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C(=O)OC)C(C)C)C[C@@H]1C ZINC000351521725 285395151 /nfs/dbraw/zinc/39/51/51/285395151.db2.gz VRLFIRVDEVYBQV-OFQRWUPVSA-N 2 2 327.469 1.105 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C(=O)OC)C(C)C)C[C@@H]1C ZINC000351521725 285395153 /nfs/dbraw/zinc/39/51/53/285395153.db2.gz VRLFIRVDEVYBQV-OFQRWUPVSA-N 2 2 327.469 1.105 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000353743307 285396953 /nfs/dbraw/zinc/39/69/53/285396953.db2.gz CJRPGYNNRWBCMQ-AEFFLSMTSA-N 3 2 346.523 1.533 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000353743307 285396955 /nfs/dbraw/zinc/39/69/55/285396955.db2.gz CJRPGYNNRWBCMQ-AEFFLSMTSA-N 3 2 346.523 1.533 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000353743307 285396958 /nfs/dbraw/zinc/39/69/58/285396958.db2.gz CJRPGYNNRWBCMQ-AEFFLSMTSA-N 3 2 346.523 1.533 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000353743307 285396960 /nfs/dbraw/zinc/39/69/60/285396960.db2.gz CJRPGYNNRWBCMQ-AEFFLSMTSA-N 3 2 346.523 1.533 20 0 EDADLP CO[C@@H](C)c1noc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000175289248 533363427 /nfs/dbraw/zinc/36/34/27/533363427.db2.gz CFTUBFCMKABNNX-AWEZNQCLSA-N 2 2 338.452 1.854 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)S1 ZINC000270052238 140039718 /nfs/dbraw/zinc/03/97/18/140039718.db2.gz VDYPZFJBSJILHS-UHFFFAOYSA-N 2 2 336.465 1.092 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000270142289 140050676 /nfs/dbraw/zinc/05/06/76/140050676.db2.gz REIWPNNKAYBFTL-MAUKXSAKSA-N 2 2 342.443 1.666 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000270142289 140050677 /nfs/dbraw/zinc/05/06/77/140050677.db2.gz REIWPNNKAYBFTL-MAUKXSAKSA-N 2 2 342.443 1.666 20 0 EDADLP Cc1ccc([C@H](O)CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000270318026 140078890 /nfs/dbraw/zinc/07/88/90/140078890.db2.gz AQWHCUYXDHNREU-GOSISDBHSA-N 2 2 348.491 1.354 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271215999 140257900 /nfs/dbraw/zinc/25/79/00/140257900.db2.gz XLXSQJZNDBNCSV-UHFFFAOYSA-N 2 2 344.463 1.668 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000331416011 141021613 /nfs/dbraw/zinc/02/16/13/141021613.db2.gz SPHBNKOQIAAQQA-UHFFFAOYSA-N 2 2 343.475 1.487 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000331416011 141021614 /nfs/dbraw/zinc/02/16/14/141021614.db2.gz SPHBNKOQIAAQQA-UHFFFAOYSA-N 2 2 343.475 1.487 20 0 EDADLP CC1(C)CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[NH2+]1 ZINC000331567022 141049429 /nfs/dbraw/zinc/04/94/29/141049429.db2.gz NSBFCASIAOOZDF-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000331897054 141095291 /nfs/dbraw/zinc/09/52/91/141095291.db2.gz UYLYWZISWFUZJH-AWEZNQCLSA-N 2 2 333.436 1.489 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000331976622 141105537 /nfs/dbraw/zinc/10/55/37/141105537.db2.gz CFGPMFBCAXOOIZ-UHFFFAOYSA-N 2 2 344.459 1.650 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000332011960 141110342 /nfs/dbraw/zinc/11/03/42/141110342.db2.gz SZSCKJZJTMUHGB-CRAIPNDOSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000332011960 141110343 /nfs/dbraw/zinc/11/03/43/141110343.db2.gz SZSCKJZJTMUHGB-CRAIPNDOSA-N 2 2 347.459 1.160 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[C@@H]1C ZINC000332445439 141183106 /nfs/dbraw/zinc/18/31/06/141183106.db2.gz SKHNHOWGTIPYFS-KKUMJFAQSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[C@@H]1C ZINC000332445439 141183107 /nfs/dbraw/zinc/18/31/07/141183107.db2.gz SKHNHOWGTIPYFS-KKUMJFAQSA-N 2 2 347.463 1.057 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)NCC[NH+]2CCSCC2)CC1(C)C ZINC000333285423 141292778 /nfs/dbraw/zinc/29/27/78/141292778.db2.gz YVFGDNRRFPMVSE-ZDUSSCGKSA-N 2 2 337.493 1.561 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333383167 141309266 /nfs/dbraw/zinc/30/92/66/141309266.db2.gz NSUULKSBFHTZSF-IAGOWNOFSA-N 2 2 343.475 1.965 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)[C@H]2C1 ZINC000333403935 141312394 /nfs/dbraw/zinc/31/23/94/141312394.db2.gz FVNWPVGSYPWAMS-PMPSAXMXSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)[C@H]2C1 ZINC000333403935 141312395 /nfs/dbraw/zinc/31/23/95/141312395.db2.gz FVNWPVGSYPWAMS-PMPSAXMXSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000333573098 141339057 /nfs/dbraw/zinc/33/90/57/141339057.db2.gz IWTHIHAKAIANBJ-ZDUSSCGKSA-N 2 2 332.404 1.174 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCCn2cc[nH+]c2)([NH+](C)C)C1 ZINC000339529428 142067332 /nfs/dbraw/zinc/06/73/32/142067332.db2.gz SJITWXWPHTVTEI-QAPCUYQASA-N 2 2 349.479 1.016 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339617570 142095838 /nfs/dbraw/zinc/09/58/38/142095838.db2.gz XBIWCJKJUZNEIK-UHFFFAOYSA-N 2 2 349.479 1.112 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000339745712 142142665 /nfs/dbraw/zinc/14/26/65/142142665.db2.gz IXFGNKCFKGIHKI-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](CO)CC1 ZINC000339745712 142142666 /nfs/dbraw/zinc/14/26/66/142142666.db2.gz IXFGNKCFKGIHKI-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000339775865 142152139 /nfs/dbraw/zinc/15/21/39/142152139.db2.gz JGVDRKJKTHEDBZ-MRXNPFEDSA-N 2 2 331.460 1.619 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000339944400 142208100 /nfs/dbraw/zinc/20/81/00/142208100.db2.gz NECBXDUYNBTQFT-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP C[C@@H]1CCCCN1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340175181 142292308 /nfs/dbraw/zinc/29/23/08/142292308.db2.gz KRQCDIPIUCONME-OAHLLOKOSA-N 2 2 346.541 1.063 20 0 EDADLP C[C@@H]1CCCCN1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340175181 142292310 /nfs/dbraw/zinc/29/23/10/142292310.db2.gz KRQCDIPIUCONME-OAHLLOKOSA-N 2 2 346.541 1.063 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000340258802 142322584 /nfs/dbraw/zinc/32/25/84/142322584.db2.gz UYMZZASXKZEPBU-MSOLQXFVSA-N 2 2 330.476 1.868 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000344948428 143029734 /nfs/dbraw/zinc/02/97/34/143029734.db2.gz LRCBSRYRTSARHE-UHFFFAOYSA-N 2 2 342.443 1.938 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345313830 143076653 /nfs/dbraw/zinc/07/66/53/143076653.db2.gz GZYOIAUQPDIHIE-CRAIPNDOSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345313830 143076654 /nfs/dbraw/zinc/07/66/54/143076654.db2.gz GZYOIAUQPDIHIE-CRAIPNDOSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000345341078 143080189 /nfs/dbraw/zinc/08/01/89/143080189.db2.gz KZNMJEMDHAUXQG-INIZCTEOSA-N 2 2 330.476 1.210 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000345341078 143080190 /nfs/dbraw/zinc/08/01/90/143080190.db2.gz KZNMJEMDHAUXQG-INIZCTEOSA-N 2 2 330.476 1.210 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000345455664 143093094 /nfs/dbraw/zinc/09/30/94/143093094.db2.gz UZMZLGDAWFPJOU-VKJFTORMSA-N 2 2 348.516 1.707 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CC(F)F)c[nH+]2)C[C@@H](C)O1 ZINC000345706125 143123553 /nfs/dbraw/zinc/12/35/53/143123553.db2.gz GPFNGLKSTZBUKS-NQBHXWOUSA-N 2 2 342.390 1.294 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCCOCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000345965707 143152155 /nfs/dbraw/zinc/15/21/55/143152155.db2.gz UJGQQCGTMIWALY-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000345965707 143152156 /nfs/dbraw/zinc/15/21/56/143152156.db2.gz UJGQQCGTMIWALY-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC000346388868 143199740 /nfs/dbraw/zinc/19/97/40/143199740.db2.gz YHIIWXQECADFNJ-MSOLQXFVSA-N 2 2 349.450 1.044 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC000346388868 143199741 /nfs/dbraw/zinc/19/97/41/143199741.db2.gz YHIIWXQECADFNJ-MSOLQXFVSA-N 2 2 349.450 1.044 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cn1C ZINC000346662734 143228289 /nfs/dbraw/zinc/22/82/89/143228289.db2.gz PJQFJUBDENOLBW-XJKSGUPXSA-N 2 2 332.404 1.555 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NCc3[nH+]ccn3C)cc2)CC1 ZINC000346662667 143228315 /nfs/dbraw/zinc/22/83/15/143228315.db2.gz DXCDNWFJRIQAIP-UHFFFAOYSA-N 2 2 327.432 1.696 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000346835592 143250137 /nfs/dbraw/zinc/25/01/37/143250137.db2.gz UIGAUJIJIYRMQB-UHFFFAOYSA-N 2 2 328.416 1.856 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000347034258 143274328 /nfs/dbraw/zinc/27/43/28/143274328.db2.gz CMQAEXSJBLSWTQ-NEWSRXKRSA-N 3 2 332.492 1.338 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000347034258 143274329 /nfs/dbraw/zinc/27/43/29/143274329.db2.gz CMQAEXSJBLSWTQ-NEWSRXKRSA-N 3 2 332.492 1.338 20 0 EDADLP Cc1ccc(-c2ncc(C[N@H+](C)CC(=O)N3CC[NH2+]CC3)s2)cc1 ZINC000347128288 143285772 /nfs/dbraw/zinc/28/57/72/143285772.db2.gz PFKIDMCRYPQFSN-UHFFFAOYSA-N 2 2 344.484 1.982 20 0 EDADLP Cc1ccc(-c2ncc(C[N@@H+](C)CC(=O)N3CC[NH2+]CC3)s2)cc1 ZINC000347128288 143285773 /nfs/dbraw/zinc/28/57/73/143285773.db2.gz PFKIDMCRYPQFSN-UHFFFAOYSA-N 2 2 344.484 1.982 20 0 EDADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)n1C ZINC000347317711 143307761 /nfs/dbraw/zinc/30/77/61/143307761.db2.gz VNKLREAUZJVRMZ-UHFFFAOYSA-N 2 2 332.492 1.930 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347378132 143314431 /nfs/dbraw/zinc/31/44/31/143314431.db2.gz TYTUOFYZYWFRSX-RTBURBONSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347378132 143314432 /nfs/dbraw/zinc/31/44/32/143314432.db2.gz TYTUOFYZYWFRSX-RTBURBONSA-N 2 2 343.471 1.875 20 0 EDADLP COC(=O)[C@@H]1CCC[N@H+](CCCc2c[nH+]ccc2C)[C@H]1C(=O)OC ZINC000347847487 143369931 /nfs/dbraw/zinc/36/99/31/143369931.db2.gz GMQIIBFNTZIDBK-HZPDHXFCSA-N 2 2 334.416 1.749 20 0 EDADLP COC(=O)[C@@H]1CCC[N@@H+](CCCc2c[nH+]ccc2C)[C@H]1C(=O)OC ZINC000347847487 143369932 /nfs/dbraw/zinc/36/99/32/143369932.db2.gz GMQIIBFNTZIDBK-HZPDHXFCSA-N 2 2 334.416 1.749 20 0 EDADLP COc1cc[nH+]c(CN2C[C@H](OC)C[C@H]2C[NH+]2CCCC2)c1OC ZINC000348020512 143391971 /nfs/dbraw/zinc/39/19/71/143391971.db2.gz CPALXGCIBYKWNH-LSDHHAIUSA-N 2 2 335.448 1.784 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416819458 304349899 /nfs/dbraw/zinc/34/98/99/304349899.db2.gz JLGFLUWROAWVHM-STQMWFEESA-N 2 2 326.466 1.029 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1ccco1 ZINC000416821160 304350299 /nfs/dbraw/zinc/35/02/99/304350299.db2.gz VEACHOYSYCMASP-HOTGVXAUSA-N 2 2 343.431 1.633 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(C)(C)n2cncn2)nc[nH+]1 ZINC000353251116 149340390 /nfs/dbraw/zinc/34/03/90/149340390.db2.gz HGLKZOMBSSEPKS-UONOGXRCSA-N 2 2 344.467 1.492 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC[N@@H+]1C ZINC000353369404 149382564 /nfs/dbraw/zinc/38/25/64/149382564.db2.gz GVOKIAZKGDIRHP-BHIYHBOVSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1C[C@H](C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC[N@H+]1C ZINC000353369404 149382565 /nfs/dbraw/zinc/38/25/65/149382565.db2.gz GVOKIAZKGDIRHP-BHIYHBOVSA-N 2 2 345.487 1.906 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000416975347 304358816 /nfs/dbraw/zinc/35/88/16/304358816.db2.gz NVVHCFXJNLFLKQ-GOEBONIOSA-N 2 2 331.464 1.999 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000354871350 150004970 /nfs/dbraw/zinc/00/49/70/150004970.db2.gz MZFSWWIFPHJGPP-HUUCEWRRSA-N 2 2 336.386 1.967 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)Cc2c[nH]cn2)cc[nH+]1 ZINC000354930988 150038030 /nfs/dbraw/zinc/03/80/30/150038030.db2.gz ZPVZSPUXNWNAQE-GXTWGEPZSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)Cc2c[nH]cn2)cc[nH+]1 ZINC000354930988 150038034 /nfs/dbraw/zinc/03/80/34/150038034.db2.gz ZPVZSPUXNWNAQE-GXTWGEPZSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)Cc2cnc[nH]2)cc[nH+]1 ZINC000354930988 150038037 /nfs/dbraw/zinc/03/80/37/150038037.db2.gz ZPVZSPUXNWNAQE-GXTWGEPZSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)Cc2cnc[nH]2)cc[nH+]1 ZINC000354930988 150038039 /nfs/dbraw/zinc/03/80/39/150038039.db2.gz ZPVZSPUXNWNAQE-GXTWGEPZSA-N 2 2 333.415 1.315 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000355060561 150096952 /nfs/dbraw/zinc/09/69/52/150096952.db2.gz FRZUDUUXFSZLSL-DLBZAZTESA-N 2 2 336.524 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000355060561 150096957 /nfs/dbraw/zinc/09/69/57/150096957.db2.gz FRZUDUUXFSZLSL-DLBZAZTESA-N 2 2 336.524 1.488 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[N@H+](C)Cc1ccccc1 ZINC000355192694 150160074 /nfs/dbraw/zinc/16/00/74/150160074.db2.gz UBMLWMCSLGMMFV-ZWKOTPCHSA-N 2 2 330.476 1.013 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[N@@H+](C)Cc1ccccc1 ZINC000355192694 150160077 /nfs/dbraw/zinc/16/00/77/150160077.db2.gz UBMLWMCSLGMMFV-ZWKOTPCHSA-N 2 2 330.476 1.013 20 0 EDADLP C[C@@H](O)C[C@@H](C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000355218436 150168705 /nfs/dbraw/zinc/16/87/05/150168705.db2.gz ACYDLJHJQIELOA-HUUCEWRRSA-N 2 2 340.512 1.251 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC[N@@H+]1C[C@@H](C)O ZINC000355500025 150293824 /nfs/dbraw/zinc/29/38/24/150293824.db2.gz BIPQAQNIKKCQEI-FVQBIDKESA-N 2 2 334.464 1.058 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC[N@H+]1C[C@@H](C)O ZINC000355500025 150293826 /nfs/dbraw/zinc/29/38/26/150293826.db2.gz BIPQAQNIKKCQEI-FVQBIDKESA-N 2 2 334.464 1.058 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355598111 150330234 /nfs/dbraw/zinc/33/02/34/150330234.db2.gz OWFOXBBMVDGTNJ-QGZVFWFLSA-N 2 2 349.500 1.052 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355598111 150330237 /nfs/dbraw/zinc/33/02/37/150330237.db2.gz OWFOXBBMVDGTNJ-QGZVFWFLSA-N 2 2 349.500 1.052 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000357638498 151095790 /nfs/dbraw/zinc/09/57/90/151095790.db2.gz SOVCKBSAGDTZTL-IXDOHACOSA-N 2 2 339.524 1.943 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000357638498 151095792 /nfs/dbraw/zinc/09/57/92/151095792.db2.gz SOVCKBSAGDTZTL-IXDOHACOSA-N 2 2 339.524 1.943 20 0 EDADLP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357643702 151097417 /nfs/dbraw/zinc/09/74/17/151097417.db2.gz AOASIBXROXHUON-MRXNPFEDSA-N 2 2 345.487 1.743 20 0 EDADLP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357643702 151097419 /nfs/dbraw/zinc/09/74/19/151097419.db2.gz AOASIBXROXHUON-MRXNPFEDSA-N 2 2 345.487 1.743 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357648234 151100372 /nfs/dbraw/zinc/10/03/72/151100372.db2.gz LFBSTZKZGKONLY-KRWDZBQOSA-N 2 2 347.503 1.431 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357648234 151100373 /nfs/dbraw/zinc/10/03/73/151100373.db2.gz LFBSTZKZGKONLY-KRWDZBQOSA-N 2 2 347.503 1.431 20 0 EDADLP CC1(C)[C@@H]2C[N@@H+](CC(=O)N3CC[NH+](Cc4ccsc4)CC3)C[C@@H]21 ZINC000357766110 151144341 /nfs/dbraw/zinc/14/43/41/151144341.db2.gz UMCHGFQBGZSLTF-IYBDPMFKSA-N 2 2 333.501 1.980 20 0 EDADLP CC1(C)[C@@H]2C[N@H+](CC(=O)N3CC[NH+](Cc4ccsc4)CC3)C[C@@H]21 ZINC000357766110 151144343 /nfs/dbraw/zinc/14/43/43/151144343.db2.gz UMCHGFQBGZSLTF-IYBDPMFKSA-N 2 2 333.501 1.980 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000358208179 151305946 /nfs/dbraw/zinc/30/59/46/151305946.db2.gz LXSAQLXPVSFXHW-UHFFFAOYSA-N 3 2 338.540 1.780 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000358208179 151305948 /nfs/dbraw/zinc/30/59/48/151305948.db2.gz LXSAQLXPVSFXHW-UHFFFAOYSA-N 3 2 338.540 1.780 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000358277510 151324305 /nfs/dbraw/zinc/32/43/05/151324305.db2.gz KPVYQRCMJQJNEQ-HUUCEWRRSA-N 2 2 349.479 1.409 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000358277510 151324306 /nfs/dbraw/zinc/32/43/06/151324306.db2.gz KPVYQRCMJQJNEQ-HUUCEWRRSA-N 2 2 349.479 1.409 20 0 EDADLP CC(C)(CNC(=O)NCC(C)(C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000358291433 151327337 /nfs/dbraw/zinc/32/73/37/151327337.db2.gz NQGORNNSYYXSSZ-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H](CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)OC ZINC000358441711 151377326 /nfs/dbraw/zinc/37/73/26/151377326.db2.gz SIXVKMZDEHVZKR-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)NCc1c[nH+]cn1C)[NH+](C)C ZINC000358470289 151387769 /nfs/dbraw/zinc/38/77/69/151387769.db2.gz BVQUPYLMOVQOIL-HNNXBMFYSA-N 2 2 331.420 1.531 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2Cc3cccc(F)c3O2)CC1 ZINC000370089678 155317991 /nfs/dbraw/zinc/31/79/91/155317991.db2.gz NIAJOUPOTACYDW-MRXNPFEDSA-N 2 2 335.423 1.271 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)C1([NH+]2CCOCC2)CCC1)C(C)C ZINC000360550499 152090985 /nfs/dbraw/zinc/09/09/85/152090985.db2.gz OHDHSJOYBXWRTC-UHFFFAOYSA-N 2 2 325.497 1.819 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000360736436 152176610 /nfs/dbraw/zinc/17/66/10/152176610.db2.gz URKCICDAJZANBF-UHFFFAOYSA-N 2 2 348.495 1.325 20 0 EDADLP Cc1cc(C)n([C@@H](C)CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000360882794 152240851 /nfs/dbraw/zinc/24/08/51/152240851.db2.gz IYHLPXSUPIBOIN-INIZCTEOSA-N 2 2 335.496 1.593 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000361017226 152281141 /nfs/dbraw/zinc/28/11/41/152281141.db2.gz FKNSXRYXLKUOCW-HNNXBMFYSA-N 2 2 335.452 1.074 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000361017226 152281143 /nfs/dbraw/zinc/28/11/43/152281143.db2.gz FKNSXRYXLKUOCW-HNNXBMFYSA-N 2 2 335.452 1.074 20 0 EDADLP NC(=O)NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000361033812 152284843 /nfs/dbraw/zinc/28/48/43/152284843.db2.gz KLVXVHJJEFFPMT-CVEARBPZSA-N 2 2 330.432 1.310 20 0 EDADLP NC(=O)NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000361033812 152284845 /nfs/dbraw/zinc/28/48/45/152284845.db2.gz KLVXVHJJEFFPMT-CVEARBPZSA-N 2 2 330.432 1.310 20 0 EDADLP NC(=O)NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361033812 152284847 /nfs/dbraw/zinc/28/48/47/152284847.db2.gz KLVXVHJJEFFPMT-CVEARBPZSA-N 2 2 330.432 1.310 20 0 EDADLP NC(=O)NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000361033812 152284849 /nfs/dbraw/zinc/28/48/49/152284849.db2.gz KLVXVHJJEFFPMT-CVEARBPZSA-N 2 2 330.432 1.310 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073895 152295331 /nfs/dbraw/zinc/29/53/31/152295331.db2.gz RLBWSIPQHAJYIH-CQSZACIVSA-N 2 2 336.436 1.053 20 0 EDADLP O=C(N[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccccc1C[NH+]1CCOCC1 ZINC000361093484 152299945 /nfs/dbraw/zinc/29/99/45/152299945.db2.gz AGROEYDWLYBUGS-MOPGFXCFSA-N 2 2 343.471 1.637 20 0 EDADLP C[C@H](NC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000361428149 152391914 /nfs/dbraw/zinc/39/19/14/152391914.db2.gz AQOGKJIGFGZHHS-HKUYNNGSSA-N 2 2 344.503 1.576 20 0 EDADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)CN1CCOCC1 ZINC000361890666 152540036 /nfs/dbraw/zinc/54/00/36/152540036.db2.gz VCBUAWLEZRAQDY-KRWDZBQOSA-N 2 2 332.492 1.604 20 0 EDADLP COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000362513096 152731078 /nfs/dbraw/zinc/73/10/78/152731078.db2.gz UAFCTPYRYZKYLU-HOTGVXAUSA-N 2 2 337.445 1.844 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)CCC[NH3+])[NH+]2CCOCC2)cc1 ZINC000417177726 304380781 /nfs/dbraw/zinc/38/07/81/304380781.db2.gz LRDYDDXCOXQHFU-WMZOPIPTSA-N 2 2 348.491 1.795 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+]([C@@H]3CCN(C(C)C)C3=O)CC2)CC1 ZINC000363566506 153002395 /nfs/dbraw/zinc/00/23/95/153002395.db2.gz SNHDVTHHEORDCE-GOSISDBHSA-N 2 2 336.524 1.488 20 0 EDADLP CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364206980 153172399 /nfs/dbraw/zinc/17/23/99/153172399.db2.gz MOGIQBQLCKPBBS-QGZVFWFLSA-N 2 2 344.459 1.543 20 0 EDADLP CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364206980 153172401 /nfs/dbraw/zinc/17/24/01/153172401.db2.gz MOGIQBQLCKPBBS-QGZVFWFLSA-N 2 2 344.459 1.543 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000364241202 153183693 /nfs/dbraw/zinc/18/36/93/153183693.db2.gz ZPTFDTXDCNJUDL-QGZVFWFLSA-N 2 2 329.460 1.429 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364428540 153235236 /nfs/dbraw/zinc/23/52/36/153235236.db2.gz USNUCPQODXIGAM-INMHGKMJSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364428540 153235240 /nfs/dbraw/zinc/23/52/40/153235240.db2.gz USNUCPQODXIGAM-INMHGKMJSA-N 2 2 328.460 1.897 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2COCC[NH2+]2)cc1F ZINC000364864232 153354691 /nfs/dbraw/zinc/35/46/91/153354691.db2.gz DVBYREWPIFQFCQ-IAQYHMDHSA-N 2 2 332.379 1.485 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccn1 ZINC000364919499 153368593 /nfs/dbraw/zinc/36/85/93/153368593.db2.gz WKGHHKBVAIHBOK-OAHLLOKOSA-N 2 2 343.431 1.097 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367116750 154013240 /nfs/dbraw/zinc/01/32/40/154013240.db2.gz HNRPGGDPTRPPAI-HOTGVXAUSA-N 2 2 334.464 1.766 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367116750 154013244 /nfs/dbraw/zinc/01/32/44/154013244.db2.gz HNRPGGDPTRPPAI-HOTGVXAUSA-N 2 2 334.464 1.766 20 0 EDADLP Cn1nnnc1C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000367263357 154059464 /nfs/dbraw/zinc/05/94/64/154059464.db2.gz CWUWHMNUHLFADY-LBPRGKRZSA-N 2 2 333.465 1.153 20 0 EDADLP Cn1nnnc1C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000367263357 154059467 /nfs/dbraw/zinc/05/94/67/154059467.db2.gz CWUWHMNUHLFADY-LBPRGKRZSA-N 2 2 333.465 1.153 20 0 EDADLP CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)o1 ZINC000367278222 154064306 /nfs/dbraw/zinc/06/43/06/154064306.db2.gz UXNWQYQXLORRHG-HNNXBMFYSA-N 2 2 331.420 1.557 20 0 EDADLP CCc1cnc(CN(C(C)=O)[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)o1 ZINC000367278222 154064310 /nfs/dbraw/zinc/06/43/10/154064310.db2.gz UXNWQYQXLORRHG-HNNXBMFYSA-N 2 2 331.420 1.557 20 0 EDADLP CC1CC[NH+](CC2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000367371252 154092959 /nfs/dbraw/zinc/09/29/59/154092959.db2.gz JMKOEPNJAKENPH-UHFFFAOYSA-N 3 2 336.524 1.204 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000369570399 155090724 /nfs/dbraw/zinc/09/07/24/155090724.db2.gz NNUKXCGJYPLSOU-DLBZAZTESA-N 2 2 346.475 1.405 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000369570399 155090728 /nfs/dbraw/zinc/09/07/28/155090728.db2.gz NNUKXCGJYPLSOU-DLBZAZTESA-N 2 2 346.475 1.405 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371243437 155843208 /nfs/dbraw/zinc/84/32/08/155843208.db2.gz JZYJLKDPEJAZJN-HZPDHXFCSA-N 2 2 325.416 1.872 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)[nH]1 ZINC000371595348 156022532 /nfs/dbraw/zinc/02/25/32/156022532.db2.gz DKFIWOKEXCPBJT-CXAGYDPISA-N 2 2 345.447 1.708 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)[nH]1 ZINC000371595348 156022534 /nfs/dbraw/zinc/02/25/34/156022534.db2.gz DKFIWOKEXCPBJT-CXAGYDPISA-N 2 2 345.447 1.708 20 0 EDADLP C[NH+]1CCC(Oc2ccc(NC(=O)CCn3cc[nH+]c3)cn2)CC1 ZINC000372211452 156272046 /nfs/dbraw/zinc/27/20/46/156272046.db2.gz UQQYUPXWGFHBSS-UHFFFAOYSA-N 2 2 329.404 1.780 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]CC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000372413864 156377778 /nfs/dbraw/zinc/37/77/78/156377778.db2.gz YJBPYTDZCVHQHB-HNNXBMFYSA-N 2 2 332.448 1.314 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000372445765 156393539 /nfs/dbraw/zinc/39/35/39/156393539.db2.gz HYACDFNGFLVNAY-SFHVURJKSA-N 2 2 331.460 1.893 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000372445765 156393543 /nfs/dbraw/zinc/39/35/43/156393543.db2.gz HYACDFNGFLVNAY-SFHVURJKSA-N 2 2 331.460 1.893 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000373840689 157027801 /nfs/dbraw/zinc/02/78/01/157027801.db2.gz ZGCJXEQIGNIEAG-CQSZACIVSA-N 2 2 329.435 1.908 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000374740081 157382651 /nfs/dbraw/zinc/38/26/51/157382651.db2.gz UHPPGHBIORJDPD-IAGOWNOFSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000374740081 157382654 /nfs/dbraw/zinc/38/26/54/157382654.db2.gz UHPPGHBIORJDPD-IAGOWNOFSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1ccc2ncc(C[NH+]3CCC(N4CC[N@@H+](C)CC4=O)CC3)n2c1 ZINC000374741250 157384455 /nfs/dbraw/zinc/38/44/55/157384455.db2.gz YRTDWGDJIPEXHU-UHFFFAOYSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1ccc2ncc(C[NH+]3CCC(N4CC[N@H+](C)CC4=O)CC3)n2c1 ZINC000374741250 157384457 /nfs/dbraw/zinc/38/44/57/157384457.db2.gz YRTDWGDJIPEXHU-UHFFFAOYSA-N 2 2 341.459 1.381 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)CC1 ZINC000378113748 158081872 /nfs/dbraw/zinc/08/18/72/158081872.db2.gz XOXUWYZKIHHCSS-KRWDZBQOSA-N 2 2 334.508 1.987 20 0 EDADLP Cc1cc(N2CCC(NC(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)nc[nH+]1 ZINC000378201397 158107689 /nfs/dbraw/zinc/10/76/89/158107689.db2.gz JBPXPRTWAQOLQY-CQSZACIVSA-N 2 2 345.491 1.896 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000378315286 158138169 /nfs/dbraw/zinc/13/81/69/158138169.db2.gz IJALEHPWCOQWOH-GOEBONIOSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000378315286 158138171 /nfs/dbraw/zinc/13/81/71/158138171.db2.gz IJALEHPWCOQWOH-GOEBONIOSA-N 2 2 335.448 1.524 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000378494038 158190787 /nfs/dbraw/zinc/19/07/87/158190787.db2.gz KAIFGSVACVLMOR-DOTOQJQBSA-N 2 2 335.496 1.872 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000378494038 158190789 /nfs/dbraw/zinc/19/07/89/158190789.db2.gz KAIFGSVACVLMOR-DOTOQJQBSA-N 2 2 335.496 1.872 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1F ZINC000417936973 304434399 /nfs/dbraw/zinc/43/43/99/304434399.db2.gz RUVRJQLSEFENFK-QGZVFWFLSA-N 2 2 340.418 1.730 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000352208253 162050111 /nfs/dbraw/zinc/05/01/11/162050111.db2.gz LAUHKDZKMBDPMS-HNNXBMFYSA-N 2 2 337.468 1.277 20 0 EDADLP COC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000352227338 162060539 /nfs/dbraw/zinc/06/05/39/162060539.db2.gz MPBYRETUJOSWMT-OAHLLOKOSA-N 2 2 337.489 1.361 20 0 EDADLP COC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000352227338 162060541 /nfs/dbraw/zinc/06/05/41/162060541.db2.gz MPBYRETUJOSWMT-OAHLLOKOSA-N 2 2 337.489 1.361 20 0 EDADLP C[N@H+]([C@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](CCO)CC1 ZINC000352360740 162139943 /nfs/dbraw/zinc/13/99/43/162139943.db2.gz DNURMMJPRTZYBW-KRWDZBQOSA-N 2 2 335.423 1.320 20 0 EDADLP C[N@@H+]([C@H]1CCN(c2ccccc2F)C1=O)C1CC[NH+](CCO)CC1 ZINC000352360740 162139945 /nfs/dbraw/zinc/13/99/45/162139945.db2.gz DNURMMJPRTZYBW-KRWDZBQOSA-N 2 2 335.423 1.320 20 0 EDADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000365279462 162359127 /nfs/dbraw/zinc/35/91/27/162359127.db2.gz YQAQFFQHQNWUPP-HUUCEWRRSA-N 2 2 333.484 1.028 20 0 EDADLP C[C@H](c1nnnn1C1CC1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000365279462 162359128 /nfs/dbraw/zinc/35/91/28/162359128.db2.gz YQAQFFQHQNWUPP-HUUCEWRRSA-N 2 2 333.484 1.028 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000359825799 287163507 /nfs/dbraw/zinc/16/35/07/287163507.db2.gz FWSWRYVXFZYRNL-RCCFBDPRSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000070947448 287253146 /nfs/dbraw/zinc/25/31/46/287253146.db2.gz MXSLMSYNOBOSME-UHFFFAOYSA-N 2 2 347.503 1.734 20 0 EDADLP CCCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000070947448 287253147 /nfs/dbraw/zinc/25/31/47/287253147.db2.gz MXSLMSYNOBOSME-UHFFFAOYSA-N 2 2 347.503 1.734 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861203 287279463 /nfs/dbraw/zinc/27/94/63/287279463.db2.gz RBLFZAIQXDCGRO-CABCVRRESA-N 2 2 326.485 1.663 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861203 287279464 /nfs/dbraw/zinc/27/94/64/287279464.db2.gz RBLFZAIQXDCGRO-CABCVRRESA-N 2 2 326.485 1.663 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861203 287279466 /nfs/dbraw/zinc/27/94/66/287279466.db2.gz RBLFZAIQXDCGRO-CABCVRRESA-N 2 2 326.485 1.663 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861203 287279468 /nfs/dbraw/zinc/27/94/68/287279468.db2.gz RBLFZAIQXDCGRO-CABCVRRESA-N 2 2 326.485 1.663 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371293456 287291807 /nfs/dbraw/zinc/29/18/07/287291807.db2.gz GRPDDWJIQYLPHA-DFBDCSAJSA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371293456 287291808 /nfs/dbraw/zinc/29/18/08/287291808.db2.gz GRPDDWJIQYLPHA-DFBDCSAJSA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000114830680 287343878 /nfs/dbraw/zinc/34/38/78/287343878.db2.gz CYGXNLHBFQCNSF-DLBZAZTESA-N 2 2 345.491 1.812 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000114830680 287343879 /nfs/dbraw/zinc/34/38/79/287343879.db2.gz CYGXNLHBFQCNSF-DLBZAZTESA-N 2 2 345.491 1.812 20 0 EDADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000168534329 226216705 /nfs/dbraw/zinc/21/67/05/226216705.db2.gz HOAKWUOQHVELLD-ZWKOTPCHSA-N 2 2 331.460 1.046 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C1([NH3+])CCCC1)CC2 ZINC000237408870 273009812 /nfs/dbraw/zinc/00/98/12/273009812.db2.gz RKOYHFWZSCDARV-UHFFFAOYSA-N 2 2 347.459 1.450 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000274719042 268190503 /nfs/dbraw/zinc/19/05/03/268190503.db2.gz UGLUISYHRLQYFC-KBPBESRZSA-N 2 2 348.495 1.770 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000274719042 268190506 /nfs/dbraw/zinc/19/05/06/268190506.db2.gz UGLUISYHRLQYFC-KBPBESRZSA-N 2 2 348.495 1.770 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274778384 268203754 /nfs/dbraw/zinc/20/37/54/268203754.db2.gz USOJOIXHPRJAKU-OAHLLOKOSA-N 2 2 346.479 1.431 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274778384 268203759 /nfs/dbraw/zinc/20/37/59/268203759.db2.gz USOJOIXHPRJAKU-OAHLLOKOSA-N 2 2 346.479 1.431 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274778384 268203761 /nfs/dbraw/zinc/20/37/61/268203761.db2.gz USOJOIXHPRJAKU-OAHLLOKOSA-N 2 2 346.479 1.431 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274778384 268203765 /nfs/dbraw/zinc/20/37/65/268203765.db2.gz USOJOIXHPRJAKU-OAHLLOKOSA-N 2 2 346.479 1.431 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000275293309 268315721 /nfs/dbraw/zinc/31/57/21/268315721.db2.gz AXHFBPOALZAVSX-LSDHHAIUSA-N 2 2 347.463 1.405 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000275293309 268315724 /nfs/dbraw/zinc/31/57/24/268315724.db2.gz AXHFBPOALZAVSX-LSDHHAIUSA-N 2 2 347.463 1.405 20 0 EDADLP COC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275863519 273131890 /nfs/dbraw/zinc/13/18/90/273131890.db2.gz XXYRCBDNRRBNAO-HOCLYGCPSA-N 2 2 331.391 1.959 20 0 EDADLP O=C(NCC[C@@H]1CCC[NH2+]C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000152715519 272927351 /nfs/dbraw/zinc/92/73/51/272927351.db2.gz CYXAUNSBVHNGGA-INIZCTEOSA-N 2 2 331.460 1.638 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000276398721 273164771 /nfs/dbraw/zinc/16/47/71/273164771.db2.gz YYURMVHHGWYWJV-UHFFFAOYSA-N 2 2 332.448 1.971 20 0 EDADLP COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000278364194 273261519 /nfs/dbraw/zinc/26/15/19/273261519.db2.gz RVMTVXTWDXCKNH-IRXDYDNUSA-N 2 2 346.431 1.113 20 0 EDADLP COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000278364194 273261520 /nfs/dbraw/zinc/26/15/20/273261520.db2.gz RVMTVXTWDXCKNH-IRXDYDNUSA-N 2 2 346.431 1.113 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c2)CC1 ZINC000278512280 273264872 /nfs/dbraw/zinc/26/48/72/273264872.db2.gz WWMQVDYVNGOFBL-IBGZPJMESA-N 2 2 342.487 1.999 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)c2)CC1 ZINC000278512280 273264874 /nfs/dbraw/zinc/26/48/74/273264874.db2.gz WWMQVDYVNGOFBL-IBGZPJMESA-N 2 2 342.487 1.999 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c2)CC1 ZINC000278512280 273264876 /nfs/dbraw/zinc/26/48/76/273264876.db2.gz WWMQVDYVNGOFBL-IBGZPJMESA-N 2 2 342.487 1.999 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)c2)CC1 ZINC000278512280 273264878 /nfs/dbraw/zinc/26/48/78/273264878.db2.gz WWMQVDYVNGOFBL-IBGZPJMESA-N 2 2 342.487 1.999 20 0 EDADLP COc1cc2c(NCC[NH+]3CCN(C(C)=O)CC3)cc[nH+]c2cc1F ZINC000279994277 273338280 /nfs/dbraw/zinc/33/82/80/273338280.db2.gz HCLOOYBUOBEFAT-UHFFFAOYSA-N 2 2 346.406 1.959 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000280555920 273370723 /nfs/dbraw/zinc/37/07/23/273370723.db2.gz PWGGBMOBEZUTNZ-LBPRGKRZSA-N 2 2 334.370 1.930 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000280555920 273370724 /nfs/dbraw/zinc/37/07/24/273370724.db2.gz PWGGBMOBEZUTNZ-LBPRGKRZSA-N 2 2 334.370 1.930 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000280770997 273396321 /nfs/dbraw/zinc/39/63/21/273396321.db2.gz RSYWJDOYSDUBDR-HNNXBMFYSA-N 2 2 334.464 1.944 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000280770997 273396322 /nfs/dbraw/zinc/39/63/22/273396322.db2.gz RSYWJDOYSDUBDR-HNNXBMFYSA-N 2 2 334.464 1.944 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000284048350 274060977 /nfs/dbraw/zinc/06/09/77/274060977.db2.gz PPZKOXFPPLKSDD-HNNXBMFYSA-N 2 2 347.463 1.037 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423841139 274077220 /nfs/dbraw/zinc/07/72/20/274077220.db2.gz JGCZEBNLFLFGIN-AWEZNQCLSA-N 2 2 326.400 1.904 20 0 EDADLP C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284774495 274326543 /nfs/dbraw/zinc/32/65/43/274326543.db2.gz MWUOTUJXXNBNSR-HKUYNNGSSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284774495 274326545 /nfs/dbraw/zinc/32/65/45/274326545.db2.gz MWUOTUJXXNBNSR-HKUYNNGSSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@]1(C(N)=O)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284774495 274326547 /nfs/dbraw/zinc/32/65/47/274326547.db2.gz MWUOTUJXXNBNSR-HKUYNNGSSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@]1(C(N)=O)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284774495 274326550 /nfs/dbraw/zinc/32/65/50/274326550.db2.gz MWUOTUJXXNBNSR-HKUYNNGSSA-N 2 2 331.460 1.475 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000284919583 274386891 /nfs/dbraw/zinc/38/68/91/274386891.db2.gz QGJRKCDBVJRXBE-CQSZACIVSA-N 2 2 347.463 1.105 20 0 EDADLP CCC[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1CCOC ZINC000366131081 276030177 /nfs/dbraw/zinc/03/01/77/276030177.db2.gz SRKPKFOOAUKRNL-LSDHHAIUSA-N 2 2 349.479 1.409 20 0 EDADLP CCC[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1CCOC ZINC000366131081 276030178 /nfs/dbraw/zinc/03/01/78/276030178.db2.gz SRKPKFOOAUKRNL-LSDHHAIUSA-N 2 2 349.479 1.409 20 0 EDADLP CCC[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1CCOC ZINC000366131081 276030179 /nfs/dbraw/zinc/03/01/79/276030179.db2.gz SRKPKFOOAUKRNL-LSDHHAIUSA-N 2 2 349.479 1.409 20 0 EDADLP CCC[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1CCOC ZINC000366131081 276030180 /nfs/dbraw/zinc/03/01/80/276030180.db2.gz SRKPKFOOAUKRNL-LSDHHAIUSA-N 2 2 349.479 1.409 20 0 EDADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000347000206 276030308 /nfs/dbraw/zinc/03/03/08/276030308.db2.gz UCMIQEDKOBDDJS-JKSUJKDBSA-N 2 2 337.468 1.414 20 0 EDADLP CCC[C@@H]1CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000347000206 276030309 /nfs/dbraw/zinc/03/03/09/276030309.db2.gz UCMIQEDKOBDDJS-JKSUJKDBSA-N 2 2 337.468 1.414 20 0 EDADLP O=C(CC[NH2+][C@H]1CCC[C@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000286022696 287917206 /nfs/dbraw/zinc/91/72/06/287917206.db2.gz HKVFAFMJXGCQIW-IRXDYDNUSA-N 2 2 346.475 1.261 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)CC1 ZINC000369274510 277028060 /nfs/dbraw/zinc/02/80/60/277028060.db2.gz PUZLAJCWYHVZOK-CRAIPNDOSA-N 2 2 329.444 1.275 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)CC1 ZINC000369274510 277028061 /nfs/dbraw/zinc/02/80/61/277028061.db2.gz PUZLAJCWYHVZOK-CRAIPNDOSA-N 2 2 329.444 1.275 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000363997411 277039467 /nfs/dbraw/zinc/03/94/67/277039467.db2.gz UQNJONUSGIXLET-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000363997411 277039468 /nfs/dbraw/zinc/03/94/68/277039468.db2.gz UQNJONUSGIXLET-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(C)c1 ZINC000286114521 287938477 /nfs/dbraw/zinc/93/84/77/287938477.db2.gz NFWVGESMLBLWTK-OALUTQOASA-N 2 2 345.487 1.969 20 0 EDADLP CC(C)(C)CN1CCC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000359595412 277144256 /nfs/dbraw/zinc/14/42/56/277144256.db2.gz FUTUTFFSEYTZMB-IRXDYDNUSA-N 2 2 337.508 1.678 20 0 EDADLP CC(C)(C)CN1CCC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000359595412 277144257 /nfs/dbraw/zinc/14/42/57/277144257.db2.gz FUTUTFFSEYTZMB-IRXDYDNUSA-N 2 2 337.508 1.678 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000355144963 277398976 /nfs/dbraw/zinc/39/89/76/277398976.db2.gz USPOPAJDSCKONB-ZWKOTPCHSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000355144963 277398978 /nfs/dbraw/zinc/39/89/78/277398978.db2.gz USPOPAJDSCKONB-ZWKOTPCHSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000355144963 277398979 /nfs/dbraw/zinc/39/89/79/277398979.db2.gz USPOPAJDSCKONB-ZWKOTPCHSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000355144963 277398980 /nfs/dbraw/zinc/39/89/80/277398980.db2.gz USPOPAJDSCKONB-ZWKOTPCHSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199732 278163795 /nfs/dbraw/zinc/16/37/95/278163795.db2.gz VWZMNLXJTDPNSG-WBVHZDCISA-N 3 2 336.524 1.297 20 0 EDADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199732 278163796 /nfs/dbraw/zinc/16/37/96/278163796.db2.gz VWZMNLXJTDPNSG-WBVHZDCISA-N 3 2 336.524 1.297 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc2c(c1)OCO2 ZINC000375502306 278368486 /nfs/dbraw/zinc/36/84/86/278368486.db2.gz KMPMUZQJHYYUAV-AEDCBLDQSA-N 2 2 342.399 1.819 20 0 EDADLP OC[C@]1(F)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286747965 288076574 /nfs/dbraw/zinc/07/65/74/288076574.db2.gz FCINCIQIIHMKQZ-IBGZPJMESA-N 2 2 335.467 1.995 20 0 EDADLP OC[C@]1(F)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286747965 288076577 /nfs/dbraw/zinc/07/65/77/288076577.db2.gz FCINCIQIIHMKQZ-IBGZPJMESA-N 2 2 335.467 1.995 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)c1ccccc1 ZINC000115164098 279045618 /nfs/dbraw/zinc/04/56/18/279045618.db2.gz BQXWMESDYHARKH-MSOLQXFVSA-N 2 2 331.460 1.659 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)c1ccccc1 ZINC000115164098 279045619 /nfs/dbraw/zinc/04/56/19/279045619.db2.gz BQXWMESDYHARKH-MSOLQXFVSA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000115164098 279045620 /nfs/dbraw/zinc/04/56/20/279045620.db2.gz BQXWMESDYHARKH-MSOLQXFVSA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000115164098 279045621 /nfs/dbraw/zinc/04/56/21/279045621.db2.gz BQXWMESDYHARKH-MSOLQXFVSA-N 2 2 331.460 1.659 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000356864938 279081855 /nfs/dbraw/zinc/08/18/55/279081855.db2.gz WYUJLXSZXRQFJK-LMMKCTJWSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000356864938 279081856 /nfs/dbraw/zinc/08/18/56/279081856.db2.gz WYUJLXSZXRQFJK-LMMKCTJWSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC[N@@H+]1C ZINC000353680380 279126612 /nfs/dbraw/zinc/12/66/12/279126612.db2.gz UEOXKDJYGNQHSF-JLZZUVOBSA-N 2 2 337.489 1.784 20 0 EDADLP C[C@@H]1[C@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CCC[N@H+]1C ZINC000353680380 279126614 /nfs/dbraw/zinc/12/66/14/279126614.db2.gz UEOXKDJYGNQHSF-JLZZUVOBSA-N 2 2 337.489 1.784 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000266859382 279196362 /nfs/dbraw/zinc/19/63/62/279196362.db2.gz AJVVJVHSPYSJBG-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000266859382 279196363 /nfs/dbraw/zinc/19/63/63/279196363.db2.gz AJVVJVHSPYSJBG-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H](C)[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000287579124 288269989 /nfs/dbraw/zinc/26/99/89/288269989.db2.gz XUFGESPKLANTTI-OAHLLOKOSA-N 2 2 339.505 1.485 20 0 EDADLP CC[C@@H](C)[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000287579124 288269990 /nfs/dbraw/zinc/26/99/90/288269990.db2.gz XUFGESPKLANTTI-OAHLLOKOSA-N 2 2 339.505 1.485 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@@H]2C(F)F)CC1 ZINC000337820385 282050832 /nfs/dbraw/zinc/05/08/32/282050832.db2.gz TWXOSLDYHICAKQ-CQSZACIVSA-N 2 2 332.439 1.842 20 0 EDADLP Cc1cccc(CCCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000288036426 288387178 /nfs/dbraw/zinc/38/71/78/288387178.db2.gz SQMYMFXXMPHUHS-UHFFFAOYSA-N 2 2 347.507 1.648 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(C)[nH+]1 ZINC000288827888 288576097 /nfs/dbraw/zinc/57/60/97/288576097.db2.gz CUYWMWCWJQGOKE-UKRRQHHQSA-N 2 2 330.432 1.722 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000376293301 288712956 /nfs/dbraw/zinc/71/29/56/288712956.db2.gz JXUSRRMVLBLMJD-SJORKVTESA-N 2 2 338.496 1.223 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000290329491 288880525 /nfs/dbraw/zinc/88/05/25/288880525.db2.gz KECUXRFQQFXMEB-HOTGVXAUSA-N 2 2 325.478 1.630 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290692615 288937914 /nfs/dbraw/zinc/93/79/14/288937914.db2.gz MTLLTZUXXIUEGI-ZDUSSCGKSA-N 2 2 345.403 1.435 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccco1 ZINC000291054733 288995371 /nfs/dbraw/zinc/99/53/71/288995371.db2.gz ZVBVXYZDEIRNDA-HNNXBMFYSA-N 2 2 332.404 1.896 20 0 EDADLP CCOC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)[nH]c1C ZINC000291469752 289076415 /nfs/dbraw/zinc/07/64/15/289076415.db2.gz OZGJMBMBABKEPR-KRWDZBQOSA-N 2 2 348.491 1.712 20 0 EDADLP CCOC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)[nH]c1C ZINC000291469752 289076419 /nfs/dbraw/zinc/07/64/19/289076419.db2.gz OZGJMBMBABKEPR-KRWDZBQOSA-N 2 2 348.491 1.712 20 0 EDADLP O[C@H](C[NH2+]Cc1cnnn1Cc1ccccc1)C[NH+]1CCCCC1 ZINC000291998267 289235269 /nfs/dbraw/zinc/23/52/69/289235269.db2.gz UOAQKAKXNAHXKU-GOSISDBHSA-N 2 2 329.448 1.263 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292050455 289248742 /nfs/dbraw/zinc/24/87/42/289248742.db2.gz BMAIWJLYYNUODI-ICSRJNTNSA-N 3 2 344.503 1.433 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292050455 289248744 /nfs/dbraw/zinc/24/87/44/289248744.db2.gz BMAIWJLYYNUODI-ICSRJNTNSA-N 3 2 344.503 1.433 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292050455 289248747 /nfs/dbraw/zinc/24/87/47/289248747.db2.gz BMAIWJLYYNUODI-ICSRJNTNSA-N 3 2 344.503 1.433 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292237991 289296107 /nfs/dbraw/zinc/29/61/07/289296107.db2.gz WLRGTCPIHKFRBI-UGSOOPFHSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292237991 289296111 /nfs/dbraw/zinc/29/61/11/289296111.db2.gz WLRGTCPIHKFRBI-UGSOOPFHSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292237991 289296113 /nfs/dbraw/zinc/29/61/13/289296113.db2.gz WLRGTCPIHKFRBI-UGSOOPFHSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292237991 289296116 /nfs/dbraw/zinc/29/61/16/289296116.db2.gz WLRGTCPIHKFRBI-UGSOOPFHSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000378093079 289375623 /nfs/dbraw/zinc/37/56/23/289375623.db2.gz HUCXROWULAHSMM-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP CN(C[C@@H](O)CNc1[nH+]cnc2[nH]ccc21)c1[nH+]cnc2[nH]ccc21 ZINC000292629339 289399016 /nfs/dbraw/zinc/39/90/16/289399016.db2.gz DZABGBKBAKGENQ-JTQLQIEISA-N 2 2 338.375 1.138 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000420900103 290114786 /nfs/dbraw/zinc/11/47/86/290114786.db2.gz HHHPQUUXQOGCFL-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000420900103 290114790 /nfs/dbraw/zinc/11/47/90/290114790.db2.gz HHHPQUUXQOGCFL-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000360559987 295133782 /nfs/dbraw/zinc/13/37/82/295133782.db2.gz DORKJLIRCAINSV-KUHUBIRLSA-N 2 2 347.459 1.394 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000360559987 295133785 /nfs/dbraw/zinc/13/37/85/295133785.db2.gz DORKJLIRCAINSV-KUHUBIRLSA-N 2 2 347.459 1.394 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000424338215 295300521 /nfs/dbraw/zinc/30/05/21/295300521.db2.gz UFWZGYUBWQVRJA-IAGOWNOFSA-N 2 2 344.459 1.055 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261810245 295315385 /nfs/dbraw/zinc/31/53/85/295315385.db2.gz RRMQWLWDSHBENW-KSZLIROESA-N 2 2 331.460 1.694 20 0 EDADLP CC[C@H](C(=O)NC1CCC([NH+](C)C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000422013351 447307444 /nfs/dbraw/zinc/30/74/44/447307444.db2.gz XHJAGZDMYPQNQF-BHUNQDJPSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)NC1CCC([NH+](C)C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000422013351 447307451 /nfs/dbraw/zinc/30/74/51/447307451.db2.gz XHJAGZDMYPQNQF-BHUNQDJPSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@H]1COCCN1CC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375610358 300344024 /nfs/dbraw/zinc/34/40/24/300344024.db2.gz BXQQUMXHUYTHFQ-WDSOQIARSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375610358 300344026 /nfs/dbraw/zinc/34/40/26/300344026.db2.gz BXQQUMXHUYTHFQ-WDSOQIARSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H]1COCCN1CC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375610358 300344028 /nfs/dbraw/zinc/34/40/28/300344028.db2.gz BXQQUMXHUYTHFQ-WDSOQIARSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H]1COCCN1CC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375610358 300344031 /nfs/dbraw/zinc/34/40/31/300344031.db2.gz BXQQUMXHUYTHFQ-WDSOQIARSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375610358 300344034 /nfs/dbraw/zinc/34/40/34/300344034.db2.gz BXQQUMXHUYTHFQ-WDSOQIARSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H]1COCC[N@H+]1CCN(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375610358 300344037 /nfs/dbraw/zinc/34/40/37/300344037.db2.gz BXQQUMXHUYTHFQ-WDSOQIARSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H]1COCC[NH+]1CCN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375610358 300344038 /nfs/dbraw/zinc/34/40/38/300344038.db2.gz BXQQUMXHUYTHFQ-WDSOQIARSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H]1COCC[NH+]1CCN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375610358 300344041 /nfs/dbraw/zinc/34/40/41/300344041.db2.gz BXQQUMXHUYTHFQ-WDSOQIARSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000376185351 300497211 /nfs/dbraw/zinc/49/72/11/300497211.db2.gz UDHQSMUJLOVFPO-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](CCF)C2)CC1 ZINC000664539323 453180245 /nfs/dbraw/zinc/18/02/45/453180245.db2.gz MTIXUHXCUALKBD-HNNXBMFYSA-N 2 2 328.476 1.794 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000358916285 301202007 /nfs/dbraw/zinc/20/20/07/301202007.db2.gz RVNJVOMYENMYEF-KGLIPLIRSA-N 2 2 336.461 1.887 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH2+][C@@](C)(C[NH3+])C(C)C)n12 ZINC000420295379 304744646 /nfs/dbraw/zinc/74/46/46/304744646.db2.gz ADZCATACOAFITQ-SFHVURJKSA-N 2 2 342.447 1.353 20 0 EDADLP CCOCc1ccc(CNC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420371395 304752573 /nfs/dbraw/zinc/75/25/73/304752573.db2.gz PKGNKWSICQKSFY-YZVOILCLSA-N 2 2 333.476 1.815 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000414745574 447321487 /nfs/dbraw/zinc/32/14/87/447321487.db2.gz PLFJZCBNVYHEPF-LBPRGKRZSA-N 2 2 333.436 1.229 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000414745574 447321492 /nfs/dbraw/zinc/32/14/92/447321492.db2.gz PLFJZCBNVYHEPF-LBPRGKRZSA-N 2 2 333.436 1.229 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415296419 302599371 /nfs/dbraw/zinc/59/93/71/302599371.db2.gz CKPGMLFTZYPAPJ-ZBFHGGJFSA-N 2 2 347.463 1.866 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H](C)[N@H+]1CCO ZINC000456207277 447325282 /nfs/dbraw/zinc/32/52/82/447325282.db2.gz GJDHXICRYLWZCC-IYBDPMFKSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H](C)[N@@H+]1CCO ZINC000456207277 447325289 /nfs/dbraw/zinc/32/52/89/447325289.db2.gz GJDHXICRYLWZCC-IYBDPMFKSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@H](C[NH2+][C@H](c1cccs1)c1nnc[nH]1)CN1CC[NH+](C)CC1 ZINC000293648674 302997880 /nfs/dbraw/zinc/99/78/80/302997880.db2.gz IKZGTYIGCHKGLU-UKRRQHHQSA-N 2 2 334.493 1.429 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCN1C ZINC000423868406 303007472 /nfs/dbraw/zinc/00/74/72/303007472.db2.gz NLRHCAKGDANAEB-YHUYYLMFSA-N 2 2 331.464 1.156 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000293757237 303013891 /nfs/dbraw/zinc/01/38/91/303013891.db2.gz XJNXKESDLWPMGE-KRWDZBQOSA-N 2 2 347.459 1.610 20 0 EDADLP C[C@@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000293948971 303043042 /nfs/dbraw/zinc/04/30/42/303043042.db2.gz ZDZMEBBBHHKRFJ-XJKSGUPXSA-N 2 2 332.427 1.259 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000294666026 303134617 /nfs/dbraw/zinc/13/46/17/303134617.db2.gz QRSYANPOPKDNTQ-UHFFFAOYSA-N 2 2 329.404 1.062 20 0 EDADLP CC[NH+]1CCC(Nc2ccc(N3CCN(C(=O)OC)CC3)[nH+]c2)CC1 ZINC000295114226 303175062 /nfs/dbraw/zinc/17/50/62/303175062.db2.gz XSQBSFHZWQLSCF-UHFFFAOYSA-N 2 2 347.463 1.866 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000295538293 303231968 /nfs/dbraw/zinc/23/19/68/303231968.db2.gz CJYUMUPSAQSCQJ-QGZVFWFLSA-N 2 2 342.443 1.810 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000295538293 303231971 /nfs/dbraw/zinc/23/19/71/303231971.db2.gz CJYUMUPSAQSCQJ-QGZVFWFLSA-N 2 2 342.443 1.810 20 0 EDADLP O=C(NCCC[NH+]1CCOCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000299178631 303592056 /nfs/dbraw/zinc/59/20/56/303592056.db2.gz PEKVUDXKBKYDHU-UHFFFAOYSA-N 2 2 343.431 1.394 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000299577043 303631571 /nfs/dbraw/zinc/63/15/71/303631571.db2.gz CUJLKDRDGDZVMF-UHFFFAOYSA-N 2 2 348.369 1.386 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000664889579 453467103 /nfs/dbraw/zinc/46/71/03/453467103.db2.gz PHTDEPZOSSOZRC-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000664889579 453467107 /nfs/dbraw/zinc/46/71/07/453467107.db2.gz PHTDEPZOSSOZRC-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664889579 453467114 /nfs/dbraw/zinc/46/71/14/453467114.db2.gz PHTDEPZOSSOZRC-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664889579 453467121 /nfs/dbraw/zinc/46/71/21/453467121.db2.gz PHTDEPZOSSOZRC-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000422720112 304879124 /nfs/dbraw/zinc/87/91/24/304879124.db2.gz ZPYGBMSEIHZASH-YZGWKJHDSA-N 2 2 347.503 1.287 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000423107028 304886371 /nfs/dbraw/zinc/88/63/71/304886371.db2.gz KIDRRLLMXPZDON-KGLIPLIRSA-N 2 2 331.416 1.029 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)C1 ZINC000423333727 304892922 /nfs/dbraw/zinc/89/29/22/304892922.db2.gz OHGPPMMFECUEMH-ANQUJSFKSA-N 2 2 346.475 1.700 20 0 EDADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCC[NH2+]1 ZINC000423423895 304895500 /nfs/dbraw/zinc/89/55/00/304895500.db2.gz LIYZQYJXPYRPJN-LRDDRELGSA-N 2 2 344.452 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423940674 304920072 /nfs/dbraw/zinc/92/00/72/304920072.db2.gz CKNVONCOXJGZBH-GOSISDBHSA-N 2 2 335.411 1.913 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428032087 305004448 /nfs/dbraw/zinc/00/44/48/305004448.db2.gz NIZSNGQSQCUHAE-LZLYRXPVSA-N 2 2 331.460 1.562 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428032087 305004449 /nfs/dbraw/zinc/00/44/49/305004449.db2.gz NIZSNGQSQCUHAE-LZLYRXPVSA-N 2 2 331.460 1.562 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428038560 305005055 /nfs/dbraw/zinc/00/50/55/305005055.db2.gz YTJUSZOENJRRGT-MJGOQNOKSA-N 2 2 345.487 1.816 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428038560 305005056 /nfs/dbraw/zinc/00/50/56/305005056.db2.gz YTJUSZOENJRRGT-MJGOQNOKSA-N 2 2 345.487 1.816 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000428049827 305005654 /nfs/dbraw/zinc/00/56/54/305005654.db2.gz PRJHAKPENSWRJV-SJLPKXTDSA-N 2 2 339.443 1.172 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000428049827 305005655 /nfs/dbraw/zinc/00/56/55/305005655.db2.gz PRJHAKPENSWRJV-SJLPKXTDSA-N 2 2 339.443 1.172 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000428056445 305006050 /nfs/dbraw/zinc/00/60/50/305006050.db2.gz UOXOPXIWOUKOIR-GOEBONIOSA-N 2 2 330.432 1.635 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C ZINC000428056445 305006051 /nfs/dbraw/zinc/00/60/51/305006051.db2.gz UOXOPXIWOUKOIR-GOEBONIOSA-N 2 2 330.432 1.635 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@@H+]1CCO ZINC000428533755 305011017 /nfs/dbraw/zinc/01/10/17/305011017.db2.gz NZQYFOAGTHOUDY-BBRMVZONSA-N 2 2 339.867 1.468 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@H+]1CCO ZINC000428533755 305011018 /nfs/dbraw/zinc/01/10/18/305011018.db2.gz NZQYFOAGTHOUDY-BBRMVZONSA-N 2 2 339.867 1.468 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000429527839 305031414 /nfs/dbraw/zinc/03/14/14/305031414.db2.gz HNHHPQDOCHJBHH-IAGOWNOFSA-N 2 2 331.460 1.522 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000429527839 305031415 /nfs/dbraw/zinc/03/14/15/305031415.db2.gz HNHHPQDOCHJBHH-IAGOWNOFSA-N 2 2 331.460 1.522 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430571213 305056288 /nfs/dbraw/zinc/05/62/88/305056288.db2.gz LPNVWJHWGOIVAR-HNAYVOBHSA-N 2 2 349.475 1.638 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCc1ccccc1Cn1cccn1 ZINC000430572802 305056660 /nfs/dbraw/zinc/05/66/60/305056660.db2.gz OYUZOZAPWQMIPH-IBGZPJMESA-N 2 2 343.475 1.511 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000430590061 305057499 /nfs/dbraw/zinc/05/74/99/305057499.db2.gz GRUZLXLYURFCAP-ZDUSSCGKSA-N 2 2 326.466 1.379 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000430590061 305057500 /nfs/dbraw/zinc/05/75/00/305057500.db2.gz GRUZLXLYURFCAP-ZDUSSCGKSA-N 2 2 326.466 1.379 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCCc1nc2ccccc2s1)C1CC1 ZINC000430599546 305057882 /nfs/dbraw/zinc/05/78/82/305057882.db2.gz WBBNAOYAXZCFLV-KRWDZBQOSA-N 2 2 332.473 1.672 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000430610702 305058844 /nfs/dbraw/zinc/05/88/44/305058844.db2.gz LKLUIPFJNLXGPT-GFCCVEGCSA-N 2 2 338.839 1.581 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000430610702 305058845 /nfs/dbraw/zinc/05/88/45/305058845.db2.gz LKLUIPFJNLXGPT-GFCCVEGCSA-N 2 2 338.839 1.581 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430658601 305061644 /nfs/dbraw/zinc/06/16/44/305061644.db2.gz XYYXIECUANBCGK-INIZCTEOSA-N 2 2 333.476 1.771 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430658601 305061645 /nfs/dbraw/zinc/06/16/45/305061645.db2.gz XYYXIECUANBCGK-INIZCTEOSA-N 2 2 333.476 1.771 20 0 EDADLP CC(C)(C[NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000430767111 305064332 /nfs/dbraw/zinc/06/43/32/305064332.db2.gz WSZXYOOLARZPTB-UHFFFAOYSA-N 2 2 332.448 1.191 20 0 EDADLP COC1(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]CC1 ZINC000430871056 305066557 /nfs/dbraw/zinc/06/65/57/305066557.db2.gz BNZSXJJUTMCDPM-ZDUSSCGKSA-N 2 2 334.464 1.380 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@@H]1[NH3+] ZINC000430915628 305067860 /nfs/dbraw/zinc/06/78/60/305067860.db2.gz DNRMCFJIVUBKLU-STQMWFEESA-N 2 2 332.473 1.624 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@@H]1[NH3+] ZINC000430915628 305067861 /nfs/dbraw/zinc/06/78/61/305067861.db2.gz DNRMCFJIVUBKLU-STQMWFEESA-N 2 2 332.473 1.624 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C1 ZINC000430931028 305068817 /nfs/dbraw/zinc/06/88/17/305068817.db2.gz CCBGIDXKYDCTDK-OCCSQVGLSA-N 2 2 348.447 1.522 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C1 ZINC000430931028 305068818 /nfs/dbraw/zinc/06/88/18/305068818.db2.gz CCBGIDXKYDCTDK-OCCSQVGLSA-N 2 2 348.447 1.522 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430935002 305069145 /nfs/dbraw/zinc/06/91/45/305069145.db2.gz OUBFEJUTZTYQQR-PKOBYXMFSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430935002 305069146 /nfs/dbraw/zinc/06/91/46/305069146.db2.gz OUBFEJUTZTYQQR-PKOBYXMFSA-N 3 2 344.503 1.308 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC[C@@H]1[NH3+] ZINC000430948926 305070099 /nfs/dbraw/zinc/07/00/99/305070099.db2.gz LXBOYJKHGRPJHT-XOKHGSTOSA-N 2 2 335.423 1.395 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC[C@@H]1[NH3+] ZINC000430948926 305070100 /nfs/dbraw/zinc/07/01/00/305070100.db2.gz LXBOYJKHGRPJHT-XOKHGSTOSA-N 2 2 335.423 1.395 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430950732 305070367 /nfs/dbraw/zinc/07/03/67/305070367.db2.gz SBNPZRBQHOOGIC-PBHICJAKSA-N 2 2 346.475 1.776 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430950732 305070368 /nfs/dbraw/zinc/07/03/68/305070368.db2.gz SBNPZRBQHOOGIC-PBHICJAKSA-N 2 2 346.475 1.776 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)CCOc2cc(C)cc(C)c2)C1 ZINC000430962309 305071225 /nfs/dbraw/zinc/07/12/25/305071225.db2.gz CCTJHJGFPKCXCJ-QGZVFWFLSA-N 2 2 333.476 1.682 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)CCOc2cc(C)cc(C)c2)C1 ZINC000430962309 305071226 /nfs/dbraw/zinc/07/12/26/305071226.db2.gz CCTJHJGFPKCXCJ-QGZVFWFLSA-N 2 2 333.476 1.682 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000430984448 305072138 /nfs/dbraw/zinc/07/21/38/305072138.db2.gz MXDUPSZYTMGVDG-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000433141301 305101631 /nfs/dbraw/zinc/10/16/31/305101631.db2.gz NTQQEVJIBXAVBF-IJEWVQPXSA-N 2 2 334.464 1.542 20 0 EDADLP CCN1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000433472735 305110435 /nfs/dbraw/zinc/11/04/35/305110435.db2.gz UUTIAYVYBVMMFK-HNNXBMFYSA-N 2 2 328.420 1.390 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000433958453 305115886 /nfs/dbraw/zinc/11/58/86/305115886.db2.gz HFLOGIBSPSFKCS-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000433958453 305115887 /nfs/dbraw/zinc/11/58/87/305115887.db2.gz HFLOGIBSPSFKCS-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000434461359 305123239 /nfs/dbraw/zinc/12/32/39/305123239.db2.gz WYHARKAELREFJO-SJLPKXTDSA-N 2 2 346.475 1.083 20 0 EDADLP C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000434461359 305123240 /nfs/dbraw/zinc/12/32/40/305123240.db2.gz WYHARKAELREFJO-SJLPKXTDSA-N 2 2 346.475 1.083 20 0 EDADLP C[C@H](C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCCCC1 ZINC000434672609 305127177 /nfs/dbraw/zinc/12/71/77/305127177.db2.gz ABNSZTPNFCROGJ-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCCC1 ZINC000434672609 305127178 /nfs/dbraw/zinc/12/71/78/305127178.db2.gz ABNSZTPNFCROGJ-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCC(=O)c1ccccc1 ZINC000435051073 305135381 /nfs/dbraw/zinc/13/53/81/305135381.db2.gz XWUQOCJQCZIFTC-UHFFFAOYSA-N 2 2 326.400 1.588 20 0 EDADLP CCC[N@H+](C)CC(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435572402 305142799 /nfs/dbraw/zinc/14/27/99/305142799.db2.gz FIVOVOOGZIIRAT-INIZCTEOSA-N 3 2 347.507 1.716 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435572402 305142800 /nfs/dbraw/zinc/14/28/00/305142800.db2.gz FIVOVOOGZIIRAT-INIZCTEOSA-N 3 2 347.507 1.716 20 0 EDADLP O=C1CCC(=O)N1CC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687277 305145432 /nfs/dbraw/zinc/14/54/32/305145432.db2.gz DFQCWZVABGVIHF-ZDUSSCGKSA-N 2 2 348.472 1.236 20 0 EDADLP O=C1CCC(=O)N1CC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687277 305145433 /nfs/dbraw/zinc/14/54/33/305145433.db2.gz DFQCWZVABGVIHF-ZDUSSCGKSA-N 2 2 348.472 1.236 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000436711274 305166214 /nfs/dbraw/zinc/16/62/14/305166214.db2.gz GEFNBCSMFPECBE-WMLDXEAASA-N 2 2 331.460 1.927 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000436711274 305166215 /nfs/dbraw/zinc/16/62/15/305166215.db2.gz GEFNBCSMFPECBE-WMLDXEAASA-N 2 2 331.460 1.927 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000438961129 305191829 /nfs/dbraw/zinc/19/18/29/305191829.db2.gz PDCUIFRLRYSUIX-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000438961129 305191830 /nfs/dbraw/zinc/19/18/30/305191830.db2.gz PDCUIFRLRYSUIX-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC[S@](=O)c1ccccc1 ZINC000441274472 305219990 /nfs/dbraw/zinc/21/99/90/305219990.db2.gz ZBTQNUQGHBFBSR-OMGHFUJISA-N 2 2 336.501 1.978 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC[S@](=O)c1ccccc1 ZINC000441274472 305219991 /nfs/dbraw/zinc/21/99/91/305219991.db2.gz ZBTQNUQGHBFBSR-OMGHFUJISA-N 2 2 336.501 1.978 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447564137 305282265 /nfs/dbraw/zinc/28/22/65/305282265.db2.gz VHUPEZIPNZLZHR-GDBMZVCRSA-N 2 2 342.447 1.071 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447564137 305282266 /nfs/dbraw/zinc/28/22/66/305282266.db2.gz VHUPEZIPNZLZHR-GDBMZVCRSA-N 2 2 342.447 1.071 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[C@H]1C ZINC000449883006 305321763 /nfs/dbraw/zinc/32/17/63/305321763.db2.gz KVPDYMZNJHGOCN-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[C@H]1C ZINC000449883006 305321764 /nfs/dbraw/zinc/32/17/64/305321764.db2.gz KVPDYMZNJHGOCN-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC000449883006 305321765 /nfs/dbraw/zinc/32/17/65/305321765.db2.gz KVPDYMZNJHGOCN-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC000449883006 305321766 /nfs/dbraw/zinc/32/17/66/305321766.db2.gz KVPDYMZNJHGOCN-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP O[C@]1(C(F)F)CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451421392 305345234 /nfs/dbraw/zinc/34/52/34/305345234.db2.gz BNAFNULJUWYYKE-FUHWJXTLSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@]1(C(F)F)CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451421392 305345235 /nfs/dbraw/zinc/34/52/35/305345235.db2.gz BNAFNULJUWYYKE-FUHWJXTLSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@]1(C(F)F)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000451421392 305345236 /nfs/dbraw/zinc/34/52/36/305345236.db2.gz BNAFNULJUWYYKE-FUHWJXTLSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@]1(C(F)F)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451421392 305345237 /nfs/dbraw/zinc/34/52/37/305345237.db2.gz BNAFNULJUWYYKE-FUHWJXTLSA-N 2 2 340.414 1.979 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1)[NH+]1CCOCC1 ZINC000452050349 305380305 /nfs/dbraw/zinc/38/03/05/305380305.db2.gz VXQYQANQIFCZKK-NHAYFPRASA-N 2 2 349.519 1.581 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1)[NH+]1CCOCC1 ZINC000452050349 305380306 /nfs/dbraw/zinc/38/03/06/305380306.db2.gz VXQYQANQIFCZKK-NHAYFPRASA-N 2 2 349.519 1.581 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452126624 305384352 /nfs/dbraw/zinc/38/43/52/305384352.db2.gz UUOVDKWPAZNCSB-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452126624 305384353 /nfs/dbraw/zinc/38/43/53/305384353.db2.gz UUOVDKWPAZNCSB-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@@H+](C2CC2)C1 ZINC000452174620 305385666 /nfs/dbraw/zinc/38/56/66/305385666.db2.gz QOLTXKGCIPQTFS-QAPCUYQASA-N 2 2 335.492 1.430 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC[N@H+](C2CC2)C1 ZINC000452174620 305385667 /nfs/dbraw/zinc/38/56/67/305385667.db2.gz QOLTXKGCIPQTFS-QAPCUYQASA-N 2 2 335.492 1.430 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[NH+](C2CC2)C1 ZINC000452174620 305385668 /nfs/dbraw/zinc/38/56/68/305385668.db2.gz QOLTXKGCIPQTFS-QAPCUYQASA-N 2 2 335.492 1.430 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH+](C2CC2)C1 ZINC000452174620 305385669 /nfs/dbraw/zinc/38/56/69/305385669.db2.gz QOLTXKGCIPQTFS-QAPCUYQASA-N 2 2 335.492 1.430 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000452366016 305393149 /nfs/dbraw/zinc/39/31/49/305393149.db2.gz OGEWIISEEJHXKY-KRWDZBQOSA-N 2 2 328.416 1.449 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000452366016 305393150 /nfs/dbraw/zinc/39/31/50/305393150.db2.gz OGEWIISEEJHXKY-KRWDZBQOSA-N 2 2 328.416 1.449 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000455856981 305447419 /nfs/dbraw/zinc/44/74/19/305447419.db2.gz XJBSKDAUINCISB-STQMWFEESA-N 2 2 338.477 1.208 20 0 EDADLP C[NH+](C)C[C@@](C)(O)CNc1cc(N2CCc3ccccc32)nc[nH+]1 ZINC000488103366 305556475 /nfs/dbraw/zinc/55/64/75/305556475.db2.gz YLKAVLNMPZRQHM-SFHVURJKSA-N 2 2 327.432 1.895 20 0 EDADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000495075404 305635321 /nfs/dbraw/zinc/63/53/21/305635321.db2.gz QSRZTYPATHRDAQ-QGZVFWFLSA-N 3 2 345.491 1.241 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000458419792 447357010 /nfs/dbraw/zinc/35/70/10/447357010.db2.gz HNCLEQBJJSILQD-GASCZTMLSA-N 2 2 337.468 1.068 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458419792 447357016 /nfs/dbraw/zinc/35/70/16/447357016.db2.gz HNCLEQBJJSILQD-GASCZTMLSA-N 2 2 337.468 1.068 20 0 EDADLP CN(C[C@H](O)C[NH2+]C(C)(C)C[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000497073490 305680803 /nfs/dbraw/zinc/68/08/03/305680803.db2.gz PKLCNNYPMJJTTC-CQSZACIVSA-N 2 2 329.485 1.678 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000516025744 305731303 /nfs/dbraw/zinc/73/13/03/305731303.db2.gz ITIPBERQFCTBQT-GJZGRUSLSA-N 2 2 347.463 1.310 20 0 EDADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CCC(=O)NC(N)=O)c(C)c1 ZINC000516276704 305735794 /nfs/dbraw/zinc/73/57/94/305735794.db2.gz JFEURHQPFAFKNL-OAHLLOKOSA-N 2 2 329.404 1.416 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C[C@@H](C)O1 ZINC000519817756 305775642 /nfs/dbraw/zinc/77/56/42/305775642.db2.gz IDDKQEBYPZVRHS-GPMSIDNRSA-N 2 2 344.459 1.432 20 0 EDADLP CC[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)c1[nH]cc[nH+]1 ZINC000527485525 305847906 /nfs/dbraw/zinc/84/79/06/305847906.db2.gz INWVPJUKRGMIAE-NSHDSACASA-N 2 2 327.392 1.639 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067753 306019283 /nfs/dbraw/zinc/01/92/83/306019283.db2.gz YNFCFNZTJJLFGM-OAHLLOKOSA-N 2 2 328.416 1.534 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067753 306019284 /nfs/dbraw/zinc/01/92/84/306019284.db2.gz YNFCFNZTJJLFGM-OAHLLOKOSA-N 2 2 328.416 1.534 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000536553782 306022330 /nfs/dbraw/zinc/02/23/30/306022330.db2.gz JXFYSBFIQQZAOM-DLBZAZTESA-N 2 2 339.528 1.138 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000536553782 306022331 /nfs/dbraw/zinc/02/23/31/306022331.db2.gz JXFYSBFIQQZAOM-DLBZAZTESA-N 2 2 339.528 1.138 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000537547713 306027300 /nfs/dbraw/zinc/02/73/00/306027300.db2.gz XIJFIOOAOOLNAJ-UHFFFAOYSA-N 2 2 339.443 1.501 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000542665353 306056304 /nfs/dbraw/zinc/05/63/04/306056304.db2.gz JLHZQZCCFHRCOU-LJQANCHMSA-N 2 2 339.443 1.320 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000544519138 306075795 /nfs/dbraw/zinc/07/57/95/306075795.db2.gz RFGLHOFIVCIHEV-CYBMUJFWSA-N 2 2 344.419 1.163 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nnnn3C(C)(C)C)C2)CC1 ZINC000545222616 306082584 /nfs/dbraw/zinc/08/25/84/306082584.db2.gz MIWABXJMSYHSJQ-HNNXBMFYSA-N 2 2 335.500 1.028 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nnnn3C(C)(C)C)C2)CC1 ZINC000545222616 306082585 /nfs/dbraw/zinc/08/25/85/306082585.db2.gz MIWABXJMSYHSJQ-HNNXBMFYSA-N 2 2 335.500 1.028 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CCC23CCOCC3)C1=O ZINC000548856850 306139984 /nfs/dbraw/zinc/13/99/84/306139984.db2.gz YWRFVEXMOPTTEY-CABCVRRESA-N 2 2 332.448 1.460 20 0 EDADLP CN(CC[NH+]1CCCC1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554472277 306192427 /nfs/dbraw/zinc/19/24/27/306192427.db2.gz WGNWCLXGUQHUBN-UHFFFAOYSA-N 2 2 328.420 1.886 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)CCc1c[nH+]cn1C ZINC000556934465 306221378 /nfs/dbraw/zinc/22/13/78/306221378.db2.gz QFTYKGUWGOZXFU-UHFFFAOYSA-N 2 2 329.448 1.728 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)CCc1c[nH+]cn1C ZINC000556934465 306221379 /nfs/dbraw/zinc/22/13/79/306221379.db2.gz QFTYKGUWGOZXFU-UHFFFAOYSA-N 2 2 329.448 1.728 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC000426010850 447377982 /nfs/dbraw/zinc/37/79/82/447377982.db2.gz PZACUEWXKVBEPP-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC000426010850 447377990 /nfs/dbraw/zinc/37/79/90/447377990.db2.gz PZACUEWXKVBEPP-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000044529584 440853314 /nfs/dbraw/zinc/85/33/14/440853314.db2.gz URJXIYHXCGEUEB-SNVBAGLBSA-N 2 2 327.226 1.453 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000044529584 440853317 /nfs/dbraw/zinc/85/33/17/440853317.db2.gz URJXIYHXCGEUEB-SNVBAGLBSA-N 2 2 327.226 1.453 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105127242 441236399 /nfs/dbraw/zinc/23/63/99/441236399.db2.gz QNWNCBSHMIKNAE-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCc2ccccc2OC)CC1 ZINC000104710962 441200536 /nfs/dbraw/zinc/20/05/36/441200536.db2.gz IOQOPVAKYOTOPV-MRXNPFEDSA-N 2 2 333.476 1.722 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2OC)CC1 ZINC000104710962 441200540 /nfs/dbraw/zinc/20/05/40/441200540.db2.gz IOQOPVAKYOTOPV-MRXNPFEDSA-N 2 2 333.476 1.722 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000104796713 441211437 /nfs/dbraw/zinc/21/14/37/441211437.db2.gz FPTGFLDSXYNJHV-DLBZAZTESA-N 2 2 334.464 1.228 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000104796713 441211441 /nfs/dbraw/zinc/21/14/41/441211441.db2.gz FPTGFLDSXYNJHV-DLBZAZTESA-N 2 2 334.464 1.228 20 0 EDADLP c1ccc(-n2nnnc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047970618 441244298 /nfs/dbraw/zinc/24/42/98/441244298.db2.gz RCRHHLUSZFFGCU-UHFFFAOYSA-N 2 2 326.448 1.970 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105299545 441248810 /nfs/dbraw/zinc/24/88/10/441248810.db2.gz CPEUBHPTKDETNX-HOTGVXAUSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105302341 441250851 /nfs/dbraw/zinc/25/08/51/441250851.db2.gz SITVBHVIAAXAML-HZPDHXFCSA-N 2 2 347.463 1.022 20 0 EDADLP COc1cccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000105211622 441243348 /nfs/dbraw/zinc/24/33/48/441243348.db2.gz GEVKEJBTULYOJI-UHFFFAOYSA-N 2 2 349.479 1.258 20 0 EDADLP COc1cccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000105211622 441243352 /nfs/dbraw/zinc/24/33/52/441243352.db2.gz GEVKEJBTULYOJI-UHFFFAOYSA-N 2 2 349.479 1.258 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632750 441298567 /nfs/dbraw/zinc/29/85/67/441298567.db2.gz KPDQEJPJURWZIO-UKRRQHHQSA-N 2 2 338.496 1.663 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632750 441298572 /nfs/dbraw/zinc/29/85/72/441298572.db2.gz KPDQEJPJURWZIO-UKRRQHHQSA-N 2 2 338.496 1.663 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632750 441298575 /nfs/dbraw/zinc/29/85/75/441298575.db2.gz KPDQEJPJURWZIO-UKRRQHHQSA-N 2 2 338.496 1.663 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632750 441298580 /nfs/dbraw/zinc/29/85/80/441298580.db2.gz KPDQEJPJURWZIO-UKRRQHHQSA-N 2 2 338.496 1.663 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cn1cc[nH+]c1 ZINC000073945773 441371772 /nfs/dbraw/zinc/37/17/72/441371772.db2.gz JSKYACAMQRYKOY-MRXNPFEDSA-N 2 2 327.432 1.210 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3ccccc3F)C2)CC1 ZINC000107369189 441412533 /nfs/dbraw/zinc/41/25/33/441412533.db2.gz VRBABXFOWZHRPC-KRWDZBQOSA-N 2 2 348.466 1.154 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3ccccc3F)C2)CC1 ZINC000107369189 441412535 /nfs/dbraw/zinc/41/25/35/441412535.db2.gz VRBABXFOWZHRPC-KRWDZBQOSA-N 2 2 348.466 1.154 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000074490556 441439858 /nfs/dbraw/zinc/43/98/58/441439858.db2.gz JWNJYVXEQGTTLS-FUHWJXTLSA-N 2 2 345.491 1.954 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000074490556 441439864 /nfs/dbraw/zinc/43/98/64/441439864.db2.gz JWNJYVXEQGTTLS-FUHWJXTLSA-N 2 2 345.491 1.954 20 0 EDADLP CC[NH+](CC)CCCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000027334117 441399813 /nfs/dbraw/zinc/39/98/13/441399813.db2.gz KHAPXFLPNZIMCK-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCN(C)CC1 ZINC000074657246 441453647 /nfs/dbraw/zinc/45/36/47/441453647.db2.gz OPGQVZOQOCBTEU-HZPDHXFCSA-N 2 2 348.495 1.182 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CCC[C@H]2CO)([NH+]2CCCCC2)CC1 ZINC000074767642 441465648 /nfs/dbraw/zinc/46/56/48/441465648.db2.gz RQNCWOPJVZPZBK-INIZCTEOSA-N 2 2 338.496 1.103 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796468 441508228 /nfs/dbraw/zinc/50/82/28/441508228.db2.gz QUDYTKWGZHTAMP-HOCLYGCPSA-N 2 2 347.463 1.925 20 0 EDADLP CNC(=O)c1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000066874775 441578391 /nfs/dbraw/zinc/57/83/91/441578391.db2.gz CFVHASWRLPUKDX-HNNXBMFYSA-N 2 2 331.460 1.731 20 0 EDADLP CNC(=O)c1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000066874775 441578396 /nfs/dbraw/zinc/57/83/96/441578396.db2.gz CFVHASWRLPUKDX-HNNXBMFYSA-N 2 2 331.460 1.731 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926643 441596749 /nfs/dbraw/zinc/59/67/49/441596749.db2.gz MTCGBDUAVVXIRR-KRWDZBQOSA-N 2 2 344.459 1.599 20 0 EDADLP CN1CC[NH+]([C@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)c2ccccc2)CC1 ZINC000113454727 441609818 /nfs/dbraw/zinc/60/98/18/441609818.db2.gz DSDFDUOTDSLDPQ-HKUYNNGSSA-N 2 2 344.503 1.385 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000114198395 441641198 /nfs/dbraw/zinc/64/11/98/441641198.db2.gz MOKHKDRGIODETC-HNNXBMFYSA-N 2 2 332.448 1.835 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1C ZINC000114198395 441641202 /nfs/dbraw/zinc/64/12/02/441641202.db2.gz MOKHKDRGIODETC-HNNXBMFYSA-N 2 2 332.448 1.835 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)nc[nH+]2)C1 ZINC000091479943 441704871 /nfs/dbraw/zinc/70/48/71/441704871.db2.gz APJVJITXYPRKGJ-GJZGRUSLSA-N 2 2 342.447 1.792 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)[nH+]cn2)C1 ZINC000091479943 441704878 /nfs/dbraw/zinc/70/48/78/441704878.db2.gz APJVJITXYPRKGJ-GJZGRUSLSA-N 2 2 342.447 1.792 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)c2C1 ZINC000415440100 447441479 /nfs/dbraw/zinc/44/14/79/447441479.db2.gz RGLVYVGQKKRPST-ZDUSSCGKSA-N 2 2 330.432 1.171 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH2+][C@@H](C)C3)c2C1 ZINC000415440100 447441489 /nfs/dbraw/zinc/44/14/89/447441489.db2.gz RGLVYVGQKKRPST-ZDUSSCGKSA-N 2 2 330.432 1.171 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C[NH+]1CCCC1 ZINC000158625708 441749886 /nfs/dbraw/zinc/74/98/86/441749886.db2.gz RUJJYQHPDORKMN-NVXWUHKLSA-N 2 2 332.448 1.976 20 0 EDADLP O=C(CN1CC[NH+](CCn2cc[nH+]c2)CC1)Nc1ccc(Cl)cc1 ZINC000077119944 441720423 /nfs/dbraw/zinc/72/04/23/441720423.db2.gz BQDSFWGKQVXVNN-UHFFFAOYSA-N 2 2 347.850 1.793 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000042313780 441723113 /nfs/dbraw/zinc/72/31/13/441723113.db2.gz BFZHMJXHOQOGIK-LBPRGKRZSA-N 2 2 340.265 1.874 20 0 EDADLP C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1CO ZINC000159240503 441797471 /nfs/dbraw/zinc/79/74/71/441797471.db2.gz IYWYJPMQENEHSQ-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1CO ZINC000159240503 441797476 /nfs/dbraw/zinc/79/74/76/441797476.db2.gz IYWYJPMQENEHSQ-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159343173 441804746 /nfs/dbraw/zinc/80/47/46/441804746.db2.gz NVMXYTRJLKJXMM-QUCCMNQESA-N 3 2 330.520 1.734 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000159343173 441804753 /nfs/dbraw/zinc/80/47/53/441804753.db2.gz NVMXYTRJLKJXMM-QUCCMNQESA-N 3 2 330.520 1.734 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000173921279 441861571 /nfs/dbraw/zinc/86/15/71/441861571.db2.gz JDIXADQXVPKPBQ-INIZCTEOSA-N 2 2 333.476 1.927 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000173921279 441861575 /nfs/dbraw/zinc/86/15/75/441861575.db2.gz JDIXADQXVPKPBQ-INIZCTEOSA-N 2 2 333.476 1.927 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000173921279 441861581 /nfs/dbraw/zinc/86/15/81/441861581.db2.gz JDIXADQXVPKPBQ-INIZCTEOSA-N 2 2 333.476 1.927 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2OC)C1 ZINC000173921279 441861583 /nfs/dbraw/zinc/86/15/83/441861583.db2.gz JDIXADQXVPKPBQ-INIZCTEOSA-N 2 2 333.476 1.927 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000173953544 441867863 /nfs/dbraw/zinc/86/78/63/441867863.db2.gz UGWIXISUBKZQHH-INIZCTEOSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000173953544 441867868 /nfs/dbraw/zinc/86/78/68/441867868.db2.gz UGWIXISUBKZQHH-INIZCTEOSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@@H](CNC(=O)NCCCNc1cccc[nH+]1)C[NH+]1CCN(C)CC1 ZINC000173953886 441868993 /nfs/dbraw/zinc/86/89/93/441868993.db2.gz XNINYXTYIFNWHO-INIZCTEOSA-N 2 2 348.495 1.066 20 0 EDADLP C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000077830546 441872707 /nfs/dbraw/zinc/87/27/07/441872707.db2.gz LHVAZYYGFDOTBP-UHFFFAOYSA-N 2 2 341.415 1.269 20 0 EDADLP CC(C)C[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000077752738 441848180 /nfs/dbraw/zinc/84/81/80/441848180.db2.gz AIGOLJQSHYESMM-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP CC(C)C[N@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000077752738 441848183 /nfs/dbraw/zinc/84/81/83/441848183.db2.gz AIGOLJQSHYESMM-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173888578 441855682 /nfs/dbraw/zinc/85/56/82/441855682.db2.gz UEHREAWMVSHJRD-KRWDZBQOSA-N 2 2 338.496 1.369 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccco1 ZINC000078485242 441936909 /nfs/dbraw/zinc/93/69/09/441936909.db2.gz HMULOHGSJWMIFT-OAHLLOKOSA-N 2 2 345.447 1.957 20 0 EDADLP CC[C@H](C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)[NH+](C)C ZINC000124619691 441940851 /nfs/dbraw/zinc/94/08/51/441940851.db2.gz DNQVBSZAZWCFFM-OAHLLOKOSA-N 2 2 333.480 1.897 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750526 441942423 /nfs/dbraw/zinc/94/24/23/441942423.db2.gz QFRVRCCFEYCZRM-QGZVFWFLSA-N 2 2 325.497 1.583 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750526 441942431 /nfs/dbraw/zinc/94/24/31/441942431.db2.gz QFRVRCCFEYCZRM-QGZVFWFLSA-N 2 2 325.497 1.583 20 0 EDADLP Cc1cc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n2ncnc2n1 ZINC000125066889 441980209 /nfs/dbraw/zinc/98/02/09/441980209.db2.gz ZKHCTBGXQQTJMH-OAHLLOKOSA-N 2 2 329.452 1.039 20 0 EDADLP Cc1cc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n2ncnc2n1 ZINC000125066889 441980214 /nfs/dbraw/zinc/98/02/14/441980214.db2.gz ZKHCTBGXQQTJMH-OAHLLOKOSA-N 2 2 329.452 1.039 20 0 EDADLP O=C(C[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCO1)N1CCCC1 ZINC000125294984 442005663 /nfs/dbraw/zinc/00/56/63/442005663.db2.gz FCZGXQDISJUIKO-SFHVURJKSA-N 2 2 337.508 1.966 20 0 EDADLP O=C(C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCO1)N1CCCC1 ZINC000125294984 442005669 /nfs/dbraw/zinc/00/56/69/442005669.db2.gz FCZGXQDISJUIKO-SFHVURJKSA-N 2 2 337.508 1.966 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079060066 442013871 /nfs/dbraw/zinc/01/38/71/442013871.db2.gz JEQCDGWJTWPRTB-HNNXBMFYSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000125397862 442017626 /nfs/dbraw/zinc/01/76/26/442017626.db2.gz VEWYORQXSJKDND-LSDHHAIUSA-N 2 2 334.439 1.157 20 0 EDADLP COc1c(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(C)nn1C ZINC000162414818 442091596 /nfs/dbraw/zinc/09/15/96/442091596.db2.gz ACHLODKQYAWNBF-UHFFFAOYSA-N 2 2 329.448 1.886 20 0 EDADLP CCS[C@H](C)c1noc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000161996833 442054599 /nfs/dbraw/zinc/05/45/99/442054599.db2.gz BQAYQVNNYFKXPQ-CQSZACIVSA-N 2 2 341.525 1.953 20 0 EDADLP CCS[C@H](C)c1noc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000161996833 442054604 /nfs/dbraw/zinc/05/46/04/442054604.db2.gz BQAYQVNNYFKXPQ-CQSZACIVSA-N 2 2 341.525 1.953 20 0 EDADLP CN(CC[N@H+](C)CC(=O)N(C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000126489279 442116749 /nfs/dbraw/zinc/11/67/49/442116749.db2.gz XBXDWRQSRFPTBZ-UHFFFAOYSA-N 2 2 338.540 1.735 20 0 EDADLP CN(CC[N@@H+](C)CC(=O)N(C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000126489279 442116755 /nfs/dbraw/zinc/11/67/55/442116755.db2.gz XBXDWRQSRFPTBZ-UHFFFAOYSA-N 2 2 338.540 1.735 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)C1CCCCC1 ZINC000126489279 442116758 /nfs/dbraw/zinc/11/67/58/442116758.db2.gz XBXDWRQSRFPTBZ-UHFFFAOYSA-N 2 2 338.540 1.735 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)C1CCCCC1 ZINC000126489279 442116761 /nfs/dbraw/zinc/11/67/61/442116761.db2.gz XBXDWRQSRFPTBZ-UHFFFAOYSA-N 2 2 338.540 1.735 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000127185704 442179117 /nfs/dbraw/zinc/17/91/17/442179117.db2.gz ZFBXULNUKRCAQD-OAHLLOKOSA-N 2 2 347.463 1.642 20 0 EDADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121136731 442181848 /nfs/dbraw/zinc/18/18/48/442181848.db2.gz NRCUIIHWFDNLKE-CQSZACIVSA-N 2 2 336.461 1.874 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000121242960 442195725 /nfs/dbraw/zinc/19/57/25/442195725.db2.gz LBVPYFACBCXSSB-OAHLLOKOSA-N 2 2 342.443 1.781 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000121242960 442195729 /nfs/dbraw/zinc/19/57/29/442195729.db2.gz LBVPYFACBCXSSB-OAHLLOKOSA-N 2 2 342.443 1.781 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000163234540 442152128 /nfs/dbraw/zinc/15/21/28/442152128.db2.gz UHYLPNOSYHLPBT-HNNXBMFYSA-N 2 2 327.432 1.297 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000152387195 442205768 /nfs/dbraw/zinc/20/57/68/442205768.db2.gz SXOISGSZFUFENJ-HOTGVXAUSA-N 2 2 337.468 1.444 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000152387195 442205771 /nfs/dbraw/zinc/20/57/71/442205771.db2.gz SXOISGSZFUFENJ-HOTGVXAUSA-N 2 2 337.468 1.444 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152397883 442208376 /nfs/dbraw/zinc/20/83/76/442208376.db2.gz XYAQUKHAOLVJJU-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152397883 442208378 /nfs/dbraw/zinc/20/83/78/442208378.db2.gz XYAQUKHAOLVJJU-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152397883 442208380 /nfs/dbraw/zinc/20/83/80/442208380.db2.gz XYAQUKHAOLVJJU-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152397883 442208382 /nfs/dbraw/zinc/20/83/82/442208382.db2.gz XYAQUKHAOLVJJU-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000166195520 442215013 /nfs/dbraw/zinc/21/50/13/442215013.db2.gz CBYBMHVAIZVBPN-QGZVFWFLSA-N 2 2 347.459 1.156 20 0 EDADLP COC1(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)CC[NH2+]CC1 ZINC000168718177 442224928 /nfs/dbraw/zinc/22/49/28/442224928.db2.gz CHZUAXCMRBDVNZ-UHFFFAOYSA-N 2 2 342.443 1.658 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)C[C@H](C)O1 ZINC000169200434 442226006 /nfs/dbraw/zinc/22/60/06/442226006.db2.gz SRADQLJUZWQSNH-ZENOOKHLSA-N 2 2 335.473 1.897 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CSC[NH2+]3)c2)C[C@H](C)O1 ZINC000169200434 442226008 /nfs/dbraw/zinc/22/60/08/442226008.db2.gz SRADQLJUZWQSNH-ZENOOKHLSA-N 2 2 335.473 1.897 20 0 EDADLP COC(=O)c1oc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000176525197 442230925 /nfs/dbraw/zinc/23/09/25/442230925.db2.gz WWJGLLAZYCRKLK-INIZCTEOSA-N 2 2 349.475 1.977 20 0 EDADLP COC(=O)c1oc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000176525197 442230928 /nfs/dbraw/zinc/23/09/28/442230928.db2.gz WWJGLLAZYCRKLK-INIZCTEOSA-N 2 2 349.475 1.977 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000176585972 442237532 /nfs/dbraw/zinc/23/75/32/442237532.db2.gz OPFYKGXAJZJZMV-ROUUACIJSA-N 2 2 345.491 1.782 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)cn2C)CC1 ZINC000177012324 442285242 /nfs/dbraw/zinc/28/52/42/442285242.db2.gz IMSOAJBPOCKLJV-CYBMUJFWSA-N 2 2 326.872 1.663 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)cn2C)CC1 ZINC000177012324 442285245 /nfs/dbraw/zinc/28/52/45/442285245.db2.gz IMSOAJBPOCKLJV-CYBMUJFWSA-N 2 2 326.872 1.663 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000170902001 442286187 /nfs/dbraw/zinc/28/61/87/442286187.db2.gz RUXOXCBLAVUNML-CRAIPNDOSA-N 2 2 331.460 1.995 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000170902001 442286191 /nfs/dbraw/zinc/28/61/91/442286191.db2.gz RUXOXCBLAVUNML-CRAIPNDOSA-N 2 2 331.460 1.995 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154086748 442320858 /nfs/dbraw/zinc/32/08/58/442320858.db2.gz IPMYSNKKLXFCNK-MRXNPFEDSA-N 2 2 336.395 1.945 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154086748 442320860 /nfs/dbraw/zinc/32/08/60/442320860.db2.gz IPMYSNKKLXFCNK-MRXNPFEDSA-N 2 2 336.395 1.945 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000171194228 442325385 /nfs/dbraw/zinc/32/53/85/442325385.db2.gz HYZLHXUQAJKBDX-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000171194228 442325387 /nfs/dbraw/zinc/32/53/87/442325387.db2.gz HYZLHXUQAJKBDX-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171216924 442329334 /nfs/dbraw/zinc/32/93/34/442329334.db2.gz GTGNDXWWTAJQPA-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171216924 442329336 /nfs/dbraw/zinc/32/93/36/442329336.db2.gz GTGNDXWWTAJQPA-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1cccc(OCCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177154603 442306514 /nfs/dbraw/zinc/30/65/14/442306514.db2.gz GQAUABFIPBHCQZ-UHFFFAOYSA-N 2 2 333.476 1.906 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)[nH+]c1 ZINC000171101208 442312451 /nfs/dbraw/zinc/31/24/51/442312451.db2.gz ZZBSFIKWANFVIY-UHFFFAOYSA-N 2 2 349.479 1.602 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC[N@H+]2CCOCC2(C)C)[nH+]c1 ZINC000171101208 442312452 /nfs/dbraw/zinc/31/24/52/442312452.db2.gz ZZBSFIKWANFVIY-UHFFFAOYSA-N 2 2 349.479 1.602 20 0 EDADLP Cc1cccn2c(CN3CCC[N@@H+](CC(=O)N(C)C)CC3)c[nH+]c12 ZINC000129393959 442314409 /nfs/dbraw/zinc/31/44/09/442314409.db2.gz IKTZZGAKJWWTOE-UHFFFAOYSA-N 2 2 329.448 1.239 20 0 EDADLP Cc1cccn2c(CN3CCC[N@H+](CC(=O)N(C)C)CC3)c[nH+]c12 ZINC000129393959 442314411 /nfs/dbraw/zinc/31/44/11/442314411.db2.gz IKTZZGAKJWWTOE-UHFFFAOYSA-N 2 2 329.448 1.239 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171687138 442369812 /nfs/dbraw/zinc/36/98/12/442369812.db2.gz NFOLNSJRUUJUIY-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171687138 442369815 /nfs/dbraw/zinc/36/98/15/442369815.db2.gz NFOLNSJRUUJUIY-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000131616836 442375391 /nfs/dbraw/zinc/37/53/91/442375391.db2.gz DURYBJWKBHSTOW-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000131616836 442375395 /nfs/dbraw/zinc/37/53/95/442375395.db2.gz DURYBJWKBHSTOW-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000131616836 442375398 /nfs/dbraw/zinc/37/53/98/442375398.db2.gz DURYBJWKBHSTOW-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000131616836 442375401 /nfs/dbraw/zinc/37/54/01/442375401.db2.gz DURYBJWKBHSTOW-INIZCTEOSA-N 2 2 339.505 1.711 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000131604391 442375494 /nfs/dbraw/zinc/37/54/94/442375494.db2.gz UTVKFHUFNHAQGI-GOEBONIOSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[N@H+]1C ZINC000131604391 442375496 /nfs/dbraw/zinc/37/54/96/442375496.db2.gz UTVKFHUFNHAQGI-GOEBONIOSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[NH+]1C ZINC000131604391 442375499 /nfs/dbraw/zinc/37/54/99/442375499.db2.gz UTVKFHUFNHAQGI-GOEBONIOSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[NH+]1C ZINC000131604391 442375501 /nfs/dbraw/zinc/37/55/01/442375501.db2.gz UTVKFHUFNHAQGI-GOEBONIOSA-N 2 2 339.505 1.851 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000155349756 442389497 /nfs/dbraw/zinc/38/94/97/442389497.db2.gz NCOJFLLABJJCOA-UHFFFAOYSA-N 2 2 334.420 1.411 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000156509133 442488473 /nfs/dbraw/zinc/48/84/73/442488473.db2.gz VRWFSRUQORVCFF-OAHLLOKOSA-N 2 2 334.464 1.451 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)cc(OC)c1 ZINC000178852627 442504140 /nfs/dbraw/zinc/50/41/40/442504140.db2.gz IGYHFYQOMSRVEV-INIZCTEOSA-N 2 2 347.459 1.490 20 0 EDADLP CCc1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)co1 ZINC000156269664 442461666 /nfs/dbraw/zinc/46/16/66/442461666.db2.gz SUHJMSZCOSQEBX-UHFFFAOYSA-N 2 2 334.464 1.917 20 0 EDADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1C[NH2+]CCO1 ZINC000178719281 442462903 /nfs/dbraw/zinc/46/29/03/442462903.db2.gz POPKDQHSYSJWSG-MRXNPFEDSA-N 2 2 326.400 1.813 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000134936282 442538724 /nfs/dbraw/zinc/53/87/24/442538724.db2.gz HBSHUQVGIUKMHK-SJORKVTESA-N 2 2 344.503 1.185 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000134936282 442538730 /nfs/dbraw/zinc/53/87/30/442538730.db2.gz HBSHUQVGIUKMHK-SJORKVTESA-N 2 2 344.503 1.185 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186517592 442550584 /nfs/dbraw/zinc/55/05/84/442550584.db2.gz WDJJNYOKUAIGCY-UHFFFAOYSA-N 2 2 349.479 1.272 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186517592 442550588 /nfs/dbraw/zinc/55/05/88/442550588.db2.gz WDJJNYOKUAIGCY-UHFFFAOYSA-N 2 2 349.479 1.272 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186529931 442553552 /nfs/dbraw/zinc/55/35/52/442553552.db2.gz DTPFLBWHCZMNNP-MRXNPFEDSA-N 2 2 331.464 1.788 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186529931 442553557 /nfs/dbraw/zinc/55/35/57/442553557.db2.gz DTPFLBWHCZMNNP-MRXNPFEDSA-N 2 2 331.464 1.788 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000157156087 442554594 /nfs/dbraw/zinc/55/45/94/442554594.db2.gz CYFDVTKBPBCDRW-GOSISDBHSA-N 3 2 348.535 1.680 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000157156087 442554598 /nfs/dbraw/zinc/55/45/98/442554598.db2.gz CYFDVTKBPBCDRW-GOSISDBHSA-N 3 2 348.535 1.680 20 0 EDADLP C[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCc2ccccc2C1 ZINC000134722770 442516073 /nfs/dbraw/zinc/51/60/73/442516073.db2.gz HYQAXQLBTDUSKG-OAHLLOKOSA-N 2 2 341.459 1.830 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2)CN1CC[NH+]1CCOCC1 ZINC000172697785 442522527 /nfs/dbraw/zinc/52/25/27/442522527.db2.gz ANBAQFJYHZJIHN-INIZCTEOSA-N 2 2 337.851 1.363 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000157562849 442593370 /nfs/dbraw/zinc/59/33/70/442593370.db2.gz KBYJJEYKGCZHKK-QGZVFWFLSA-N 2 2 343.479 1.254 20 0 EDADLP Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000186566271 442562433 /nfs/dbraw/zinc/56/24/33/442562433.db2.gz JEZYZXVIZHHNFJ-UHFFFAOYSA-N 2 2 329.448 1.172 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000173212241 442625683 /nfs/dbraw/zinc/62/56/83/442625683.db2.gz YNKOWKUNTVIMPY-UHFFFAOYSA-N 2 2 333.436 1.410 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000173212241 442625690 /nfs/dbraw/zinc/62/56/90/442625690.db2.gz YNKOWKUNTVIMPY-UHFFFAOYSA-N 2 2 333.436 1.410 20 0 EDADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2C1 ZINC000173223036 442627691 /nfs/dbraw/zinc/62/76/91/442627691.db2.gz MMONHQFLTGLQMX-KRWDZBQOSA-N 2 2 340.427 1.043 20 0 EDADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2C1 ZINC000173223036 442627695 /nfs/dbraw/zinc/62/76/95/442627695.db2.gz MMONHQFLTGLQMX-KRWDZBQOSA-N 2 2 340.427 1.043 20 0 EDADLP c1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000192331323 442634911 /nfs/dbraw/zinc/63/49/11/442634911.db2.gz JWCOMHNMLFEGDE-HNNXBMFYSA-N 2 2 349.504 1.188 20 0 EDADLP CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181027312 442675754 /nfs/dbraw/zinc/67/57/54/442675754.db2.gz BXNQECRAKTXZHU-ZACQAIPSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000181028836 442676019 /nfs/dbraw/zinc/67/60/19/442676019.db2.gz UZWBBJMXQNKNSK-QZTJIDSGSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)COC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000181485580 442699883 /nfs/dbraw/zinc/69/98/83/442699883.db2.gz URRMVWOJFMFSRX-UHFFFAOYSA-N 2 2 339.480 1.062 20 0 EDADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](C)c1ccccc1 ZINC000181527386 442701986 /nfs/dbraw/zinc/70/19/86/442701986.db2.gz YFEQHXZJCSIGMS-SJORKVTESA-N 2 2 347.503 1.995 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192576411 442665085 /nfs/dbraw/zinc/66/50/85/442665085.db2.gz DWPHYYGGQGTFHJ-UHFFFAOYSA-N 2 2 339.443 1.937 20 0 EDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+]1CCc2sccc2C1 ZINC000192629560 442670162 /nfs/dbraw/zinc/67/01/62/442670162.db2.gz CAJUDHSABFFRBE-ZDUSSCGKSA-N 2 2 332.473 1.977 20 0 EDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+]1CCc2sccc2C1 ZINC000192629560 442670165 /nfs/dbraw/zinc/67/01/65/442670165.db2.gz CAJUDHSABFFRBE-ZDUSSCGKSA-N 2 2 332.473 1.977 20 0 EDADLP C[C@H](C[NH2+]Cc1ccc2c(c1)sc(=O)n2C)C[NH+]1CCOCC1 ZINC000192630532 442670398 /nfs/dbraw/zinc/67/03/98/442670398.db2.gz UBWHYWMLUQEJMW-CYBMUJFWSA-N 2 2 335.473 1.658 20 0 EDADLP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCCNC1=O ZINC000188283263 442733335 /nfs/dbraw/zinc/73/33/35/442733335.db2.gz XKHNJYBCOXFZAS-IEBWSBKVSA-N 2 2 331.460 1.224 20 0 EDADLP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCCNC1=O ZINC000188283263 442733337 /nfs/dbraw/zinc/73/33/37/442733337.db2.gz XKHNJYBCOXFZAS-IEBWSBKVSA-N 2 2 331.460 1.224 20 0 EDADLP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCNC1=O ZINC000188283263 442733339 /nfs/dbraw/zinc/73/33/39/442733339.db2.gz XKHNJYBCOXFZAS-IEBWSBKVSA-N 2 2 331.460 1.224 20 0 EDADLP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCNC1=O ZINC000188283263 442733341 /nfs/dbraw/zinc/73/33/41/442733341.db2.gz XKHNJYBCOXFZAS-IEBWSBKVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(COc1ccc(F)cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182677585 442805626 /nfs/dbraw/zinc/80/56/26/442805626.db2.gz HZMAOLKPTBAQHR-UHFFFAOYSA-N 2 2 346.406 1.636 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000188756170 442806045 /nfs/dbraw/zinc/80/60/45/442806045.db2.gz LTDLECLIVPGAFN-HNNXBMFYSA-N 2 2 345.491 1.784 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1C[C@H](C)O ZINC000246708572 442806146 /nfs/dbraw/zinc/80/61/46/442806146.db2.gz CNXXDPOWEPZGKK-DOTOQJQBSA-N 2 2 342.443 1.790 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1C[C@H](C)O ZINC000246708572 442806150 /nfs/dbraw/zinc/80/61/50/442806150.db2.gz CNXXDPOWEPZGKK-DOTOQJQBSA-N 2 2 342.443 1.790 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000193596855 442757540 /nfs/dbraw/zinc/75/75/40/442757540.db2.gz AHGOJILJLLBECN-MRXNPFEDSA-N 2 2 349.475 1.558 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000193596855 442757542 /nfs/dbraw/zinc/75/75/42/442757542.db2.gz AHGOJILJLLBECN-MRXNPFEDSA-N 2 2 349.475 1.558 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193609172 442759333 /nfs/dbraw/zinc/75/93/33/442759333.db2.gz IEBXHDNZFCDPIA-YESZJQIVSA-N 2 2 331.460 1.372 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193609172 442759335 /nfs/dbraw/zinc/75/93/35/442759335.db2.gz IEBXHDNZFCDPIA-YESZJQIVSA-N 2 2 331.460 1.372 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193609172 442759338 /nfs/dbraw/zinc/75/93/38/442759338.db2.gz IEBXHDNZFCDPIA-YESZJQIVSA-N 2 2 331.460 1.372 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193609172 442759339 /nfs/dbraw/zinc/75/93/39/442759339.db2.gz IEBXHDNZFCDPIA-YESZJQIVSA-N 2 2 331.460 1.372 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246447879 442782995 /nfs/dbraw/zinc/78/29/95/442782995.db2.gz DSBBRMNAEDDEQR-GOEBONIOSA-N 2 2 336.480 1.417 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246447879 442783003 /nfs/dbraw/zinc/78/30/03/442783003.db2.gz DSBBRMNAEDDEQR-GOEBONIOSA-N 2 2 336.480 1.417 20 0 EDADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246447879 442783007 /nfs/dbraw/zinc/78/30/07/442783007.db2.gz DSBBRMNAEDDEQR-GOEBONIOSA-N 2 2 336.480 1.417 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000268122060 442856523 /nfs/dbraw/zinc/85/65/23/442856523.db2.gz HQNRZRGQIIWYSA-AEFFLSMTSA-N 2 2 347.507 1.295 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000268146947 442869287 /nfs/dbraw/zinc/86/92/87/442869287.db2.gz GIEVPDJWMURHPA-YOEHRIQHSA-N 2 2 327.432 1.964 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2=O)n(C)n1 ZINC000247993752 442876134 /nfs/dbraw/zinc/87/61/34/442876134.db2.gz JRPXYKRXKUNZLU-PMPSAXMXSA-N 2 2 331.464 1.250 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2=O)n(C)n1 ZINC000247993752 442876138 /nfs/dbraw/zinc/87/61/38/442876138.db2.gz JRPXYKRXKUNZLU-PMPSAXMXSA-N 2 2 331.464 1.250 20 0 EDADLP Cc1cc(N2CC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)n(C)n1 ZINC000247993752 442876141 /nfs/dbraw/zinc/87/61/41/442876141.db2.gz JRPXYKRXKUNZLU-PMPSAXMXSA-N 2 2 331.464 1.250 20 0 EDADLP Cc1cc(N2CC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2=O)n(C)n1 ZINC000247993752 442876143 /nfs/dbraw/zinc/87/61/43/442876143.db2.gz JRPXYKRXKUNZLU-PMPSAXMXSA-N 2 2 331.464 1.250 20 0 EDADLP CCCC(O)(CCC)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179293386 318455982 /nfs/dbraw/zinc/45/59/82/318455982.db2.gz LSIQZOBUKNTPBY-UHFFFAOYSA-N 2 2 342.528 1.643 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000189201074 442896683 /nfs/dbraw/zinc/89/66/83/442896683.db2.gz SDRLUEORBLJRSS-KWCYVHTRSA-N 2 2 338.477 1.690 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000189201074 442896688 /nfs/dbraw/zinc/89/66/88/442896688.db2.gz SDRLUEORBLJRSS-KWCYVHTRSA-N 2 2 338.477 1.690 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCn3cc[nH+]c3)CC2)CC1 ZINC000183189855 442899077 /nfs/dbraw/zinc/89/90/77/442899077.db2.gz WDKUXGBUQPVHHQ-UHFFFAOYSA-N 3 2 333.480 1.149 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000189325469 442921264 /nfs/dbraw/zinc/92/12/64/442921264.db2.gz MGKIPSNHSVSBSE-UHFFFAOYSA-N 2 2 330.366 1.682 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000189325469 442921268 /nfs/dbraw/zinc/92/12/68/442921268.db2.gz MGKIPSNHSVSBSE-UHFFFAOYSA-N 2 2 330.366 1.682 20 0 EDADLP CC(C)OCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000183315430 442921953 /nfs/dbraw/zinc/92/19/53/442921953.db2.gz PLDZBQVOHODJDT-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP COc1cnccc1[C@@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000189560764 442979130 /nfs/dbraw/zinc/97/91/30/442979130.db2.gz SKQQBYVESAVEHT-CQSZACIVSA-N 2 2 342.447 1.483 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000295177909 318635104 /nfs/dbraw/zinc/63/51/04/318635104.db2.gz MJTQCNLACXKKKT-HIFRSBDPSA-N 2 2 337.489 1.720 20 0 EDADLP COC[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000251940179 443020614 /nfs/dbraw/zinc/02/06/14/443020614.db2.gz UPAINKDYQKESMD-NJAFHUGGSA-N 2 2 349.475 1.141 20 0 EDADLP COC[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000251940179 443020618 /nfs/dbraw/zinc/02/06/18/443020618.db2.gz UPAINKDYQKESMD-NJAFHUGGSA-N 2 2 349.475 1.141 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000268552184 443031474 /nfs/dbraw/zinc/03/14/74/443031474.db2.gz NFYDCKYMLSUWIP-QGZVFWFLSA-N 2 2 330.476 1.782 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000268552184 443031475 /nfs/dbraw/zinc/03/14/75/443031475.db2.gz NFYDCKYMLSUWIP-QGZVFWFLSA-N 2 2 330.476 1.782 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268759327 443099627 /nfs/dbraw/zinc/09/96/27/443099627.db2.gz KRAUJWNFUJWGNV-PKOBYXMFSA-N 2 2 340.471 1.806 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268759327 443099630 /nfs/dbraw/zinc/09/96/30/443099630.db2.gz KRAUJWNFUJWGNV-PKOBYXMFSA-N 2 2 340.471 1.806 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268906683 443143417 /nfs/dbraw/zinc/14/34/17/443143417.db2.gz MAWRHOMCENKYPA-KDOFPFPSSA-N 2 2 345.491 1.867 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000268906683 443143421 /nfs/dbraw/zinc/14/34/21/443143421.db2.gz MAWRHOMCENKYPA-KDOFPFPSSA-N 2 2 345.491 1.867 20 0 EDADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000236754803 443146664 /nfs/dbraw/zinc/14/66/64/443146664.db2.gz CSCLHGRTLFOTSL-OALUTQOASA-N 2 2 346.519 1.807 20 0 EDADLP Cc1nc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC000266340691 443101998 /nfs/dbraw/zinc/10/19/98/443101998.db2.gz ICUSBQNPFBGZID-UHFFFAOYSA-N 2 2 325.416 1.785 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC(=O)CCn3cc[nH+]c3)nc2)CC1 ZINC000268779327 443106239 /nfs/dbraw/zinc/10/62/39/443106239.db2.gz ULFHPKINVPIWQI-UHFFFAOYSA-N 2 2 342.447 1.837 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000268802252 443112958 /nfs/dbraw/zinc/11/29/58/443112958.db2.gz BKMXSHSXHRUSHE-IIYDPXPESA-N 2 2 337.489 1.728 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000268802252 443112961 /nfs/dbraw/zinc/11/29/61/443112961.db2.gz BKMXSHSXHRUSHE-IIYDPXPESA-N 2 2 337.489 1.728 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000226049833 443121294 /nfs/dbraw/zinc/12/12/94/443121294.db2.gz SGDOQINUPRAUHV-ZIAGYGMSSA-N 2 2 343.265 1.873 20 0 EDADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000226049833 443121299 /nfs/dbraw/zinc/12/12/99/443121299.db2.gz SGDOQINUPRAUHV-ZIAGYGMSSA-N 2 2 343.265 1.873 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000185035605 443123228 /nfs/dbraw/zinc/12/32/28/443123228.db2.gz MVPNZJQDTJYDQZ-UKRRQHHQSA-N 2 2 344.463 1.242 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)CC2)cc[nH+]1 ZINC000185035605 443123231 /nfs/dbraw/zinc/12/32/31/443123231.db2.gz MVPNZJQDTJYDQZ-UKRRQHHQSA-N 2 2 344.463 1.242 20 0 EDADLP CC[N@H+](CCCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000266574925 443173403 /nfs/dbraw/zinc/17/34/03/443173403.db2.gz PYISXLYUGILJEP-UHFFFAOYSA-N 2 2 333.476 1.344 20 0 EDADLP CC[N@@H+](CCCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000266574925 443173406 /nfs/dbraw/zinc/17/34/06/443173406.db2.gz PYISXLYUGILJEP-UHFFFAOYSA-N 2 2 333.476 1.344 20 0 EDADLP C[C@@](O)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CN1CCOCC1 ZINC000304374878 318918244 /nfs/dbraw/zinc/91/82/44/318918244.db2.gz WZHSMTMBWZMIII-GOSISDBHSA-N 2 2 330.432 1.045 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000245382629 443220826 /nfs/dbraw/zinc/22/08/26/443220826.db2.gz KLIGETVLIUVQDE-OWCLPIDISA-N 2 2 335.452 1.166 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000245382629 443220827 /nfs/dbraw/zinc/22/08/27/443220827.db2.gz KLIGETVLIUVQDE-OWCLPIDISA-N 2 2 335.452 1.166 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000328439979 318946661 /nfs/dbraw/zinc/94/66/61/318946661.db2.gz XNUBIFGGZHVZAK-UHFFFAOYSA-N 2 2 338.455 1.802 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1c1noc(-c2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000351089540 319091767 /nfs/dbraw/zinc/09/17/67/319091767.db2.gz XNMGZKLLCRGBIS-CQSZACIVSA-N 2 2 325.376 1.236 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1c1noc(-c2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000351089540 319091770 /nfs/dbraw/zinc/09/17/70/319091770.db2.gz XNMGZKLLCRGBIS-CQSZACIVSA-N 2 2 325.376 1.236 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000382876355 319124970 /nfs/dbraw/zinc/12/49/70/319124970.db2.gz OISYENCXDDSBAZ-OAHLLOKOSA-N 2 2 342.528 1.857 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000382876355 319124972 /nfs/dbraw/zinc/12/49/72/319124972.db2.gz OISYENCXDDSBAZ-OAHLLOKOSA-N 2 2 342.528 1.857 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc3nsnc32)C[C@H]1C[NH3+] ZINC000397333923 319134124 /nfs/dbraw/zinc/13/41/24/319134124.db2.gz SFPJJMXQEUBJKD-GRYCIOLGSA-N 2 2 333.461 1.935 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc3nsnc32)C[C@H]1C[NH3+] ZINC000397333923 319134126 /nfs/dbraw/zinc/13/41/26/319134126.db2.gz SFPJJMXQEUBJKD-GRYCIOLGSA-N 2 2 333.461 1.935 20 0 EDADLP COC(=O)[C@H]1CN(c2cc[nH+]c3c(OC)cccc23)CC[N@H+](C)C1 ZINC000413493912 319271371 /nfs/dbraw/zinc/27/13/71/319271371.db2.gz GIJSTXCKGPIALH-CYBMUJFWSA-N 2 2 329.400 1.784 20 0 EDADLP COC(=O)[C@H]1CN(c2cc[nH+]c3c(OC)cccc23)CC[N@@H+](C)C1 ZINC000413493912 319271374 /nfs/dbraw/zinc/27/13/74/319271374.db2.gz GIJSTXCKGPIALH-CYBMUJFWSA-N 2 2 329.400 1.784 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC(C)(C)OC(C)(C)C3)cn2)CC1 ZINC000191195124 443257283 /nfs/dbraw/zinc/25/72/83/443257283.db2.gz QKXAFZVXGSBJSG-UHFFFAOYSA-N 2 2 333.480 1.618 20 0 EDADLP CCS(=O)(=O)CCC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414538327 319329694 /nfs/dbraw/zinc/32/96/94/319329694.db2.gz AZYKVFPEEHYKAL-UHFFFAOYSA-N 2 2 345.534 1.824 20 0 EDADLP CCS(=O)(=O)CCC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414538327 319329695 /nfs/dbraw/zinc/32/96/95/319329695.db2.gz AZYKVFPEEHYKAL-UHFFFAOYSA-N 2 2 345.534 1.824 20 0 EDADLP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000415304406 319360871 /nfs/dbraw/zinc/36/08/71/319360871.db2.gz GXRJLULLOYDQPS-UHFFFAOYSA-N 2 2 342.399 1.847 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000185874908 443273975 /nfs/dbraw/zinc/27/39/75/443273975.db2.gz FKXBKMZRLKKPNU-QGZVFWFLSA-N 3 2 327.476 1.988 20 0 EDADLP C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCSCC1 ZINC000246229406 443281383 /nfs/dbraw/zinc/28/13/83/443281383.db2.gz FYMDIPDFACARDI-ZNMIVQPWSA-N 2 2 343.537 1.428 20 0 EDADLP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCSCC1 ZINC000246229406 443281387 /nfs/dbraw/zinc/28/13/87/443281387.db2.gz FYMDIPDFACARDI-ZNMIVQPWSA-N 2 2 343.537 1.428 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000269356221 443291422 /nfs/dbraw/zinc/29/14/22/443291422.db2.gz JHHQBDUGZMQSEL-MRXNPFEDSA-N 2 2 330.432 1.230 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000269356221 443291425 /nfs/dbraw/zinc/29/14/25/443291425.db2.gz JHHQBDUGZMQSEL-MRXNPFEDSA-N 2 2 330.432 1.230 20 0 EDADLP COC(=O)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000269288548 443268606 /nfs/dbraw/zinc/26/86/06/443268606.db2.gz DGXUKDGOQTZHQD-UHFFFAOYSA-N 2 2 337.420 1.164 20 0 EDADLP COC(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000269288548 443268612 /nfs/dbraw/zinc/26/86/12/443268612.db2.gz DGXUKDGOQTZHQD-UHFFFAOYSA-N 2 2 337.420 1.164 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000266863701 443270844 /nfs/dbraw/zinc/27/08/44/443270844.db2.gz BKVFGPYYUSRWEQ-CRAIPNDOSA-N 2 2 331.460 1.541 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416922381 319475341 /nfs/dbraw/zinc/47/53/41/319475341.db2.gz VKHSJMBXBWGSEL-BYCMXARLSA-N 2 2 331.395 1.780 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416950094 319483742 /nfs/dbraw/zinc/48/37/42/319483742.db2.gz HQWHWRAVZWWBBX-QGZVFWFLSA-N 2 2 341.459 1.867 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[C@H]1[NH3+] ZINC000417266950 319488875 /nfs/dbraw/zinc/48/88/75/319488875.db2.gz FZYMKUPKRQHVRJ-SWLSCSKDSA-N 2 2 331.395 1.890 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)nn1 ZINC000282443094 443340283 /nfs/dbraw/zinc/34/02/83/443340283.db2.gz IGWUYEGFGWAGHM-MRXNPFEDSA-N 2 2 327.432 1.834 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)nn1 ZINC000282443094 443340288 /nfs/dbraw/zinc/34/02/88/443340288.db2.gz IGWUYEGFGWAGHM-MRXNPFEDSA-N 2 2 327.432 1.834 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nn1 ZINC000282443094 443340292 /nfs/dbraw/zinc/34/02/92/443340292.db2.gz IGWUYEGFGWAGHM-MRXNPFEDSA-N 2 2 327.432 1.834 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nn1 ZINC000282443094 443340299 /nfs/dbraw/zinc/34/02/99/443340299.db2.gz IGWUYEGFGWAGHM-MRXNPFEDSA-N 2 2 327.432 1.834 20 0 EDADLP CN(C)c1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000267123981 443350151 /nfs/dbraw/zinc/35/01/51/443350151.db2.gz BBOLIPWMVGKYAA-QGZVFWFLSA-N 2 2 340.427 1.987 20 0 EDADLP CN(C)c1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000267123981 443350158 /nfs/dbraw/zinc/35/01/58/443350158.db2.gz BBOLIPWMVGKYAA-QGZVFWFLSA-N 2 2 340.427 1.987 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CC(N)=O)c1ccccc1Cl ZINC000269729629 443414354 /nfs/dbraw/zinc/41/43/54/443414354.db2.gz RURKRAOUBWPUNP-UONOGXRCSA-N 2 2 340.855 1.042 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000267328901 443419912 /nfs/dbraw/zinc/41/99/12/443419912.db2.gz FLBUTDSYRNDLHE-HOTGVXAUSA-N 2 2 334.464 1.980 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000267287812 443406365 /nfs/dbraw/zinc/40/63/65/443406365.db2.gz UOIBVQVVUFLLLI-UHFFFAOYSA-N 2 2 331.460 1.306 20 0 EDADLP CN(C)c1cccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000267300427 443410325 /nfs/dbraw/zinc/41/03/25/443410325.db2.gz KKPBGDRXQCTOMG-UHFFFAOYSA-N 2 2 347.507 1.578 20 0 EDADLP Cc1noc(Cl)c1CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267298674 443410672 /nfs/dbraw/zinc/41/06/72/443410672.db2.gz XEYMYNFXACVIIM-UHFFFAOYSA-N 2 2 342.871 1.711 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)n1 ZINC000267421283 443451708 /nfs/dbraw/zinc/45/17/08/443451708.db2.gz KMQVHPFEKNWZPO-KGLIPLIRSA-N 2 2 328.420 1.518 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)n1 ZINC000267421283 443451712 /nfs/dbraw/zinc/45/17/12/443451712.db2.gz KMQVHPFEKNWZPO-KGLIPLIRSA-N 2 2 328.420 1.518 20 0 EDADLP O=C(C[NH+]1CCC2(CC[NH2+]2)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000422633836 319722916 /nfs/dbraw/zinc/72/29/16/319722916.db2.gz ITEFEOYUKNOOKM-KRWDZBQOSA-N 2 2 347.434 1.554 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423410059 319773116 /nfs/dbraw/zinc/77/31/16/319773116.db2.gz ZQDREVIRZJKKDF-CQSZACIVSA-N 2 2 342.447 1.894 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C3([NH3+])CCCC3)CC2)c1 ZINC000423817809 319816187 /nfs/dbraw/zinc/81/61/87/319816187.db2.gz ZSSJTLHJKUWWQL-UHFFFAOYSA-N 2 2 347.459 1.490 20 0 EDADLP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2)CC1 ZINC000264979516 443498122 /nfs/dbraw/zinc/49/81/22/443498122.db2.gz GZYAVSKALSHDSK-UHFFFAOYSA-N 2 2 327.432 1.870 20 0 EDADLP C[C@@H](CS(C)(=O)=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000272290834 443582356 /nfs/dbraw/zinc/58/23/56/443582356.db2.gz QBEVMLPMOODKSC-GXTWGEPZSA-N 2 2 326.466 1.067 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@H]1C ZINC000265397120 443627834 /nfs/dbraw/zinc/62/78/34/443627834.db2.gz UTDZSUUXPABFDC-CQSZACIVSA-N 2 2 335.452 1.010 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C[C@H]1C ZINC000265397120 443627838 /nfs/dbraw/zinc/62/78/38/443627838.db2.gz UTDZSUUXPABFDC-CQSZACIVSA-N 2 2 335.452 1.010 20 0 EDADLP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000430929379 319935562 /nfs/dbraw/zinc/93/55/62/319935562.db2.gz WFQCOXGKXCHHBW-KRWDZBQOSA-N 3 2 344.503 1.390 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000279523754 443600520 /nfs/dbraw/zinc/60/05/20/443600520.db2.gz SYEWADTVMBOACN-IAGOWNOFSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000279523754 443600523 /nfs/dbraw/zinc/60/05/23/443600523.db2.gz SYEWADTVMBOACN-IAGOWNOFSA-N 2 2 342.443 1.342 20 0 EDADLP C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272390241 443610650 /nfs/dbraw/zinc/61/06/50/443610650.db2.gz CQITXURLFAWJRL-OAHLLOKOSA-N 2 2 343.475 1.703 20 0 EDADLP C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272390241 443610657 /nfs/dbraw/zinc/61/06/57/443610657.db2.gz CQITXURLFAWJRL-OAHLLOKOSA-N 2 2 343.475 1.703 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000279656485 443618016 /nfs/dbraw/zinc/61/80/16/443618016.db2.gz CMLYFSSLFVBQHR-LJQANCHMSA-N 2 2 343.471 1.836 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000279656485 443618019 /nfs/dbraw/zinc/61/80/19/443618019.db2.gz CMLYFSSLFVBQHR-LJQANCHMSA-N 2 2 343.471 1.836 20 0 EDADLP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000286105647 443647092 /nfs/dbraw/zinc/64/70/92/443647092.db2.gz NJJJTZBRAFPMRF-AAEUAGOBSA-N 2 2 339.461 1.525 20 0 EDADLP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000286105647 443647094 /nfs/dbraw/zinc/64/70/94/443647094.db2.gz NJJJTZBRAFPMRF-AAEUAGOBSA-N 2 2 339.461 1.525 20 0 EDADLP Cc1nc2cncc(N3CC[NH+](CC[C@@H]4CCCC[N@H+]4C)CC3)n2n1 ZINC000434864328 320004689 /nfs/dbraw/zinc/00/46/89/320004689.db2.gz HWWGQSJJPCENHC-INIZCTEOSA-N 2 2 343.479 1.429 20 0 EDADLP Cc1nc2cncc(N3CC[NH+](CC[C@@H]4CCCC[N@@H+]4C)CC3)n2n1 ZINC000434864328 320004692 /nfs/dbraw/zinc/00/46/92/320004692.db2.gz HWWGQSJJPCENHC-INIZCTEOSA-N 2 2 343.479 1.429 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)N(C)CC3CC3)CC2)CC1 ZINC000441086227 320088207 /nfs/dbraw/zinc/08/82/07/320088207.db2.gz FZYMQVKZYXPYHQ-UHFFFAOYSA-N 2 2 336.524 1.345 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000276197119 443667400 /nfs/dbraw/zinc/66/74/00/443667400.db2.gz CKDXTRMCYWMZSB-HZPDHXFCSA-N 2 2 348.495 1.423 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000276197119 443667402 /nfs/dbraw/zinc/66/74/02/443667402.db2.gz CKDXTRMCYWMZSB-HZPDHXFCSA-N 2 2 348.495 1.423 20 0 EDADLP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276197119 443667405 /nfs/dbraw/zinc/66/74/05/443667405.db2.gz CKDXTRMCYWMZSB-HZPDHXFCSA-N 2 2 348.495 1.423 20 0 EDADLP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276197119 443667407 /nfs/dbraw/zinc/66/74/07/443667407.db2.gz CKDXTRMCYWMZSB-HZPDHXFCSA-N 2 2 348.495 1.423 20 0 EDADLP Cc1cccc2c1C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)O2 ZINC000450048123 320210662 /nfs/dbraw/zinc/21/06/62/320210662.db2.gz WEKRVJRJCGDRPS-GOSISDBHSA-N 2 2 331.460 1.441 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456999091 320316730 /nfs/dbraw/zinc/31/67/30/320316730.db2.gz SMXWDWDSBJPUHY-NVXWUHKLSA-N 2 2 335.448 1.138 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000456999091 320316731 /nfs/dbraw/zinc/31/67/31/320316731.db2.gz SMXWDWDSBJPUHY-NVXWUHKLSA-N 2 2 335.448 1.138 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000458596592 320337743 /nfs/dbraw/zinc/33/77/43/320337743.db2.gz OFPGSSHPCXRLOD-KRWDZBQOSA-N 3 2 339.528 1.137 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000458596592 320337744 /nfs/dbraw/zinc/33/77/44/320337744.db2.gz OFPGSSHPCXRLOD-KRWDZBQOSA-N 3 2 339.528 1.137 20 0 EDADLP COC[C@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458604657 320338159 /nfs/dbraw/zinc/33/81/59/320338159.db2.gz VVBFPCGYFYYUEK-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@]3(CCOC3)C2)CC1 ZINC000458604630 320338178 /nfs/dbraw/zinc/33/81/78/320338178.db2.gz VMFSPYTVVIDNPC-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459320088 320346483 /nfs/dbraw/zinc/34/64/83/320346483.db2.gz SNULIHKSKISVOL-CIRFHOKZSA-N 2 2 334.508 1.985 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459320088 320346484 /nfs/dbraw/zinc/34/64/84/320346484.db2.gz SNULIHKSKISVOL-CIRFHOKZSA-N 2 2 334.508 1.985 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000490887926 320364257 /nfs/dbraw/zinc/36/42/57/320364257.db2.gz XLTKAYDHACCFPC-WCXIOVBPSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000490887926 320364258 /nfs/dbraw/zinc/36/42/58/320364258.db2.gz XLTKAYDHACCFPC-WCXIOVBPSA-N 2 2 328.460 1.897 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C\c3cccnc3)CC2)CC1 ZINC000491332750 320368874 /nfs/dbraw/zinc/36/88/74/320368874.db2.gz BZLVXKRVKVUFPC-PLNGDYQASA-N 2 2 328.460 1.770 20 0 EDADLP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492816220 320387104 /nfs/dbraw/zinc/38/71/04/320387104.db2.gz ZOCFSZQKKPNADB-FPLPWBNLSA-N 2 2 341.415 1.031 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000276507507 443727358 /nfs/dbraw/zinc/72/73/58/443727358.db2.gz YUBNIQDSUITDNK-UHFFFAOYSA-N 2 2 325.478 1.678 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000276507507 443727361 /nfs/dbraw/zinc/72/73/61/443727361.db2.gz YUBNIQDSUITDNK-UHFFFAOYSA-N 2 2 325.478 1.678 20 0 EDADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CCc3sccc3C2)nc[nH+]1 ZINC000298352742 443752020 /nfs/dbraw/zinc/75/20/20/443752020.db2.gz SXDVSCSPQHOHBB-GFCCVEGCSA-N 2 2 333.461 1.801 20 0 EDADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CCc3sccc3C2)nc[nH+]1 ZINC000298352742 443752024 /nfs/dbraw/zinc/75/20/24/443752024.db2.gz SXDVSCSPQHOHBB-GFCCVEGCSA-N 2 2 333.461 1.801 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]34C[C@H]3COC4(C)C)CC2)CC1 ZINC000616381627 450407079 /nfs/dbraw/zinc/40/70/79/450407079.db2.gz WEPHUZNZNRCFCR-JXFKEZNVSA-N 2 2 349.519 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]34C[C@H]3COC4(C)C)CC2)CC1 ZINC000616381627 450407080 /nfs/dbraw/zinc/40/70/80/450407080.db2.gz WEPHUZNZNRCFCR-JXFKEZNVSA-N 2 2 349.519 1.820 20 0 EDADLP C[C@H]1[C@H](NC(=O)NCc2c[nH+]cn2C)CC[N@H+]1Cc1ccccc1 ZINC000292103837 443777094 /nfs/dbraw/zinc/77/70/94/443777094.db2.gz VQNODZUFBPNYKG-WMLDXEAASA-N 2 2 327.432 1.882 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000276659887 443781977 /nfs/dbraw/zinc/78/19/77/443781977.db2.gz SUIHJUAHKZDDJF-GOSISDBHSA-N 2 2 330.476 1.184 20 0 EDADLP Cn1nccc1[C@H]1[C@H]([NH2+]CCCn2cc[nH+]c2)CC(=O)N1C1CC1 ZINC000285012198 443820734 /nfs/dbraw/zinc/82/07/34/443820734.db2.gz GZOLPXDKWVHVFC-RHSMWYFYSA-N 2 2 328.420 1.101 20 0 EDADLP CN(CCC[N@H+](C)Cc1nc2ccsc2c(=O)[nH]1)CC[NH+](C)C ZINC000298670283 443834507 /nfs/dbraw/zinc/83/45/07/443834507.db2.gz YLUFLHXPYIAKGJ-UHFFFAOYSA-N 2 2 337.493 1.712 20 0 EDADLP CN(CCC[N@@H+](C)Cc1nc2ccsc2c(=O)[nH]1)CC[NH+](C)C ZINC000298670283 443834510 /nfs/dbraw/zinc/83/45/10/443834510.db2.gz YLUFLHXPYIAKGJ-UHFFFAOYSA-N 2 2 337.493 1.712 20 0 EDADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000281346756 443886236 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CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000281451525 443914725 /nfs/dbraw/zinc/91/47/25/443914725.db2.gz AHLXIVDPAJOFKF-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000281451525 443914728 /nfs/dbraw/zinc/91/47/28/443914728.db2.gz AHLXIVDPAJOFKF-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc3c(c2)COC3)CC1 ZINC000542602112 320782702 /nfs/dbraw/zinc/78/27/02/320782702.db2.gz VWZDJSDFZIMGNK-UHFFFAOYSA-N 2 2 331.460 1.402 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn2ccccc2n1 ZINC000299112515 443958115 /nfs/dbraw/zinc/95/81/15/443958115.db2.gz RDKHEAUJPCWJKN-UHFFFAOYSA-N 2 2 329.448 1.432 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn2ccccc2n1 ZINC000299112515 443958117 /nfs/dbraw/zinc/95/81/17/443958117.db2.gz RDKHEAUJPCWJKN-UHFFFAOYSA-N 2 2 329.448 1.432 20 0 EDADLP COC[C@@H]1CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000293501664 444035550 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O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000277624568 444014465 /nfs/dbraw/zinc/01/44/65/444014465.db2.gz WPWBYEDXJWJHHT-RDJZCZTQSA-N 2 2 343.475 1.976 20 0 EDADLP Cn1c[nH+]cc1CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000559797354 321016160 /nfs/dbraw/zinc/01/61/60/321016160.db2.gz WBAOIZCARZNAAU-UHFFFAOYSA-N 2 2 345.428 1.186 20 0 EDADLP Cc1c(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cnn1C ZINC000560021201 321017612 /nfs/dbraw/zinc/01/76/12/321017612.db2.gz ZRRYKQOIXVDYCU-UHFFFAOYSA-N 2 2 347.507 1.338 20 0 EDADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)[C@H]2C1 ZINC000285666952 444066027 /nfs/dbraw/zinc/06/60/27/444066027.db2.gz GURUURJBQDMIBN-ZWKOTPCHSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)[C@H]2C1 ZINC000285666952 444066031 /nfs/dbraw/zinc/06/60/31/444066031.db2.gz GURUURJBQDMIBN-ZWKOTPCHSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000562680886 321069548 /nfs/dbraw/zinc/06/95/48/321069548.db2.gz MYCMUEBEKCMFNN-QGZVFWFLSA-N 2 2 345.491 1.662 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000563093821 321094986 /nfs/dbraw/zinc/09/49/86/321094986.db2.gz VZRVWVRBFGHJPV-IHRRRGAJSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@H](CC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)n1cc[nH+]c1 ZINC000563239304 321103127 /nfs/dbraw/zinc/10/31/27/321103127.db2.gz MSFOWXRZVMHHRJ-FGTMMUONSA-N 2 2 347.507 1.851 20 0 EDADLP C[C@H](CC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)n1cc[nH+]c1 ZINC000563239304 321103129 /nfs/dbraw/zinc/10/31/29/321103129.db2.gz MSFOWXRZVMHHRJ-FGTMMUONSA-N 2 2 347.507 1.851 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000564485155 321134638 /nfs/dbraw/zinc/13/46/38/321134638.db2.gz XZVWWMIDWAMQDP-HOTGVXAUSA-N 2 2 348.495 1.672 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000564485155 321134639 /nfs/dbraw/zinc/13/46/39/321134639.db2.gz XZVWWMIDWAMQDP-HOTGVXAUSA-N 2 2 348.495 1.672 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CCCC[NH3+])CC1 ZINC000564992198 321163395 /nfs/dbraw/zinc/16/33/95/321163395.db2.gz IMHWQHDRYJKYCQ-UHFFFAOYSA-N 2 2 332.448 1.418 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CCO)[C@H]1CCCc2ccccc21 ZINC000565311764 321180985 /nfs/dbraw/zinc/18/09/85/321180985.db2.gz JGCWGVCCEMGPBR-MJGOQNOKSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CCO)[C@H]1CCCc2ccccc21 ZINC000565311764 321180987 /nfs/dbraw/zinc/18/09/87/321180987.db2.gz JGCWGVCCEMGPBR-MJGOQNOKSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000565311764 321180988 /nfs/dbraw/zinc/18/09/88/321180988.db2.gz JGCWGVCCEMGPBR-MJGOQNOKSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000565311764 321180990 /nfs/dbraw/zinc/18/09/90/321180990.db2.gz JGCWGVCCEMGPBR-MJGOQNOKSA-N 2 2 336.476 1.297 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1)C1CC1 ZINC000565919541 321206371 /nfs/dbraw/zinc/20/63/71/321206371.db2.gz DXVDCAPSMBOARQ-INIZCTEOSA-N 2 2 329.448 1.364 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1)C1CC1 ZINC000565919541 321206372 /nfs/dbraw/zinc/20/63/72/321206372.db2.gz DXVDCAPSMBOARQ-INIZCTEOSA-N 2 2 329.448 1.364 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000566906520 321236160 /nfs/dbraw/zinc/23/61/60/321236160.db2.gz WXXQGNOFUIKQAC-SFHVURJKSA-N 2 2 335.423 1.396 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000566906520 321236161 /nfs/dbraw/zinc/23/61/61/321236161.db2.gz WXXQGNOFUIKQAC-SFHVURJKSA-N 2 2 335.423 1.396 20 0 EDADLP C[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000567691951 321253150 /nfs/dbraw/zinc/25/31/50/321253150.db2.gz JZLLVVOMICGRQC-KRWDZBQOSA-N 2 2 344.459 1.826 20 0 EDADLP C[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000567691951 321253152 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EDADLP CNC(=O)c1cccc(C[NH+]2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000569257177 321323142 /nfs/dbraw/zinc/32/31/42/321323142.db2.gz XSJUOFSKJDSBLH-HNNXBMFYSA-N 2 2 331.460 1.731 20 0 EDADLP CN(C)C(=O)N1CCC(Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000571208626 321376911 /nfs/dbraw/zinc/37/69/11/321376911.db2.gz XMFDTRPGCGVDMM-UHFFFAOYSA-N 2 2 328.420 1.884 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3cnc([C@H](C)O)s3)CC2)c1 ZINC000289319739 444106687 /nfs/dbraw/zinc/10/66/87/444106687.db2.gz JWOHIVGMWIUQCL-LBPRGKRZSA-N 2 2 334.445 1.922 20 0 EDADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)CC1 ZINC000289324237 444107978 /nfs/dbraw/zinc/10/79/78/444107978.db2.gz KISSEZOAPRBBTB-MRXNPFEDSA-N 2 2 346.475 1.859 20 0 EDADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)CC1 ZINC000289324237 444107984 /nfs/dbraw/zinc/10/79/84/444107984.db2.gz KISSEZOAPRBBTB-MRXNPFEDSA-N 2 2 346.475 1.859 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573860603 321459805 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C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000296027344 444200072 /nfs/dbraw/zinc/20/00/72/444200072.db2.gz RSYIAJNXBBCHAL-HOTGVXAUSA-N 2 2 334.464 1.321 20 0 EDADLP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000296027344 444200074 /nfs/dbraw/zinc/20/00/74/444200074.db2.gz RSYIAJNXBBCHAL-HOTGVXAUSA-N 2 2 334.464 1.321 20 0 EDADLP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000296027343 444200089 /nfs/dbraw/zinc/20/00/89/444200089.db2.gz RSYIAJNXBBCHAL-CVEARBPZSA-N 2 2 334.464 1.321 20 0 EDADLP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000296027343 444200092 /nfs/dbraw/zinc/20/00/92/444200092.db2.gz RSYIAJNXBBCHAL-CVEARBPZSA-N 2 2 334.464 1.321 20 0 EDADLP Cn1cc[nH+]c1CC1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000302889791 444229872 /nfs/dbraw/zinc/22/98/72/444229872.db2.gz PAVJMIONICCCFL-UHFFFAOYSA-N 2 2 326.408 1.138 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCO1 ZINC000303112725 444234491 /nfs/dbraw/zinc/23/44/91/444234491.db2.gz NTNZLRBSYVTTSQ-SJLPKXTDSA-N 2 2 334.460 1.611 20 0 EDADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCO1 ZINC000303112725 444234493 /nfs/dbraw/zinc/23/44/93/444234493.db2.gz NTNZLRBSYVTTSQ-SJLPKXTDSA-N 2 2 334.460 1.611 20 0 EDADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCO1 ZINC000303112723 444234696 /nfs/dbraw/zinc/23/46/96/444234696.db2.gz NTNZLRBSYVTTSQ-FUHWJXTLSA-N 2 2 334.460 1.611 20 0 EDADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCO1 ZINC000303112723 444234698 /nfs/dbraw/zinc/23/46/98/444234698.db2.gz NTNZLRBSYVTTSQ-FUHWJXTLSA-N 2 2 334.460 1.611 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@H](C)C[C@@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000577176382 321629998 /nfs/dbraw/zinc/62/99/98/321629998.db2.gz ROHJOZTUFBSVBE-IOASZLSFSA-N 2 2 345.447 1.943 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000290650124 444305831 /nfs/dbraw/zinc/30/58/31/444305831.db2.gz KBDXBWKLJZWUQF-UHFFFAOYSA-N 2 2 331.420 1.909 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000305832995 444282910 /nfs/dbraw/zinc/28/29/10/444282910.db2.gz FBJJRIIFFGGYGU-IYWMVGAKSA-N 3 2 331.504 1.799 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000305832995 444282912 /nfs/dbraw/zinc/28/29/12/444282912.db2.gz FBJJRIIFFGGYGU-IYWMVGAKSA-N 3 2 331.504 1.799 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000310396167 444291692 /nfs/dbraw/zinc/29/16/92/444291692.db2.gz SOOHFIVELSOBEF-QFHJOOASSA-N 2 2 336.476 1.651 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000310396167 444291694 /nfs/dbraw/zinc/29/16/94/444291694.db2.gz SOOHFIVELSOBEF-QFHJOOASSA-N 2 2 336.476 1.651 20 0 EDADLP CC(C)[C@](C)(O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000331024717 444363513 /nfs/dbraw/zinc/36/35/13/444363513.db2.gz NWOQWAFMGPYOSQ-KRWDZBQOSA-N 2 2 325.497 1.460 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C[N@@H+]1C1CC1 ZINC000290836160 444328473 /nfs/dbraw/zinc/32/84/73/444328473.db2.gz YBJXMNMOADOGCT-UVBSCNOISA-N 2 2 349.500 1.926 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C[N@H+]1C1CC1 ZINC000290836160 444328476 /nfs/dbraw/zinc/32/84/76/444328476.db2.gz YBJXMNMOADOGCT-UVBSCNOISA-N 2 2 349.500 1.926 20 0 EDADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nnnn3C3CC3)C2)n2c1CCCC2 ZINC000328658895 444418408 /nfs/dbraw/zinc/41/84/08/444418408.db2.gz RWALDZWKZUQOEH-CYBMUJFWSA-N 2 2 327.436 1.920 20 0 EDADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nnnn3C3CC3)C2)n2c1CCCC2 ZINC000328658895 444418412 /nfs/dbraw/zinc/41/84/12/444418412.db2.gz RWALDZWKZUQOEH-CYBMUJFWSA-N 2 2 327.436 1.920 20 0 EDADLP O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328658221 444418574 /nfs/dbraw/zinc/41/85/74/444418574.db2.gz QQQFNUBYGVAWGC-FUHWJXTLSA-N 2 2 348.491 1.092 20 0 EDADLP O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328658221 444418578 /nfs/dbraw/zinc/41/85/78/444418578.db2.gz QQQFNUBYGVAWGC-FUHWJXTLSA-N 2 2 348.491 1.092 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C ZINC000331247326 444457484 /nfs/dbraw/zinc/45/74/84/444457484.db2.gz VQZNZPUMVNYHHL-AWEZNQCLSA-N 2 2 335.496 1.860 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C ZINC000331247326 444457487 /nfs/dbraw/zinc/45/74/87/444457487.db2.gz VQZNZPUMVNYHHL-AWEZNQCLSA-N 2 2 335.496 1.860 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000579812526 321972780 /nfs/dbraw/zinc/97/27/80/321972780.db2.gz CUJQVBSEPBHHFL-UOVPBQLFSA-N 2 2 346.475 1.150 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)n1C ZINC000580154998 322014786 /nfs/dbraw/zinc/01/47/86/322014786.db2.gz QLCCAEMUEHKHMS-INIZCTEOSA-N 2 2 333.480 1.899 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)n1C ZINC000580154998 322014789 /nfs/dbraw/zinc/01/47/89/322014789.db2.gz QLCCAEMUEHKHMS-INIZCTEOSA-N 2 2 333.480 1.899 20 0 EDADLP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000580827836 322100299 /nfs/dbraw/zinc/10/02/99/322100299.db2.gz SZDZSHMNSZFJRC-OKZBNKHCSA-N 2 2 335.492 1.524 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000580893045 322109203 /nfs/dbraw/zinc/10/92/03/322109203.db2.gz SIVQBQFRNFQEGE-AWEZNQCLSA-N 2 2 347.440 1.472 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)COC1CC[NH2+]CC1 ZINC000581010052 322124154 /nfs/dbraw/zinc/12/41/54/322124154.db2.gz WAKQTXGNHHVPJS-UHFFFAOYSA-N 2 2 347.459 1.534 20 0 EDADLP C[C@H]1[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[N@@H+]1C ZINC000338059640 444503386 /nfs/dbraw/zinc/50/33/86/444503386.db2.gz FQJUXYFIDXRMTB-DOTOQJQBSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@H]1[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[N@H+]1C ZINC000338059640 444503388 /nfs/dbraw/zinc/50/33/88/444503388.db2.gz FQJUXYFIDXRMTB-DOTOQJQBSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000581076282 322132855 /nfs/dbraw/zinc/13/28/55/322132855.db2.gz CMLAZQHZORYEQS-HNNXBMFYSA-N 2 2 342.487 1.117 20 0 EDADLP COc1cc(F)c(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1OC ZINC000581194492 322147919 /nfs/dbraw/zinc/14/79/19/322147919.db2.gz DZQTYLRHZSJLSY-UHFFFAOYSA-N 2 2 326.412 1.779 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@@H]2C1 ZINC000581366156 322168781 /nfs/dbraw/zinc/16/87/81/322168781.db2.gz BXMPDWMDZGAHDS-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@@H]2C1 ZINC000581366156 322168784 /nfs/dbraw/zinc/16/87/84/322168784.db2.gz BXMPDWMDZGAHDS-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP CCC(CC)(CO)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000581616530 322200192 /nfs/dbraw/zinc/20/01/92/322200192.db2.gz PQSUAJLTPXYIRG-UHFFFAOYSA-N 2 2 325.497 1.460 20 0 EDADLP C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581979460 322239709 /nfs/dbraw/zinc/23/97/09/322239709.db2.gz BRVNRFGNQYPELD-ZVZYQTTQSA-N 2 2 344.459 1.276 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH2+]CC2([NH3+])CCC2)c1 ZINC000342130782 444524501 /nfs/dbraw/zinc/52/45/01/444524501.db2.gz NUCFPBKYKCBBMX-QWHCGFSZSA-N 2 2 335.448 1.741 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@@H]1C ZINC000343762859 444572464 /nfs/dbraw/zinc/57/24/64/444572464.db2.gz HNWGYLLCWWLVKP-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@@H]1C ZINC000343762859 444572468 /nfs/dbraw/zinc/57/24/68/444572468.db2.gz HNWGYLLCWWLVKP-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000343766946 444576255 /nfs/dbraw/zinc/57/62/55/444576255.db2.gz PMBHTGTUIJOUBP-GOSISDBHSA-N 2 2 349.523 1.897 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CCC1 ZINC000342159933 444540504 /nfs/dbraw/zinc/54/05/04/444540504.db2.gz KLADGVWATKXOCG-UHFFFAOYSA-N 2 2 342.443 1.756 20 0 EDADLP C[C@@H]1OCC[C@@H]1[N@H+](CCO)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342164997 444543145 /nfs/dbraw/zinc/54/31/45/444543145.db2.gz LHSPKELEDBIVKT-IHPCNDPISA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342164997 444543149 /nfs/dbraw/zinc/54/31/49/444543149.db2.gz LHSPKELEDBIVKT-IHPCNDPISA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@@H]1[NH+](CCO)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342164997 444543153 /nfs/dbraw/zinc/54/31/53/444543153.db2.gz LHSPKELEDBIVKT-IHPCNDPISA-N 2 2 348.487 1.749 20 0 EDADLP C[C@@H]1OCC[C@@H]1[NH+](CCO)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342164997 444543157 /nfs/dbraw/zinc/54/31/57/444543157.db2.gz LHSPKELEDBIVKT-IHPCNDPISA-N 2 2 348.487 1.749 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000341010233 444629581 /nfs/dbraw/zinc/62/95/81/444629581.db2.gz BZOFBLZEHGNEFN-BRWVUGGUSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000341010233 444629586 /nfs/dbraw/zinc/62/95/86/444629586.db2.gz BZOFBLZEHGNEFN-BRWVUGGUSA-N 2 2 336.480 1.119 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000332927955 444599326 /nfs/dbraw/zinc/59/93/26/444599326.db2.gz NGRGJFUXZOIFRT-JSGCOSHPSA-N 2 2 337.468 1.110 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000332927955 444599329 /nfs/dbraw/zinc/59/93/29/444599329.db2.gz NGRGJFUXZOIFRT-JSGCOSHPSA-N 2 2 337.468 1.110 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000342267138 444600856 /nfs/dbraw/zinc/60/08/56/444600856.db2.gz OOCNKYPTIUXILZ-SJORKVTESA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+](CC)CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000338301407 444618969 /nfs/dbraw/zinc/61/89/69/444618969.db2.gz IXGNORDXYBFSES-IRXDYDNUSA-N 3 2 339.503 1.996 20 0 EDADLP CC[NH+](CC)CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000338301407 444618975 /nfs/dbraw/zinc/61/89/75/444618975.db2.gz IXGNORDXYBFSES-IRXDYDNUSA-N 3 2 339.503 1.996 20 0 EDADLP CCC(CC)[C@H](C(=O)NCCCn1cc[nH+]c1C)[NH+]1CCOCC1 ZINC000338323480 444633165 /nfs/dbraw/zinc/63/31/65/444633165.db2.gz CQLXKCQRGXJABM-QGZVFWFLSA-N 2 2 336.480 1.835 20 0 EDADLP Cc1c[nH+]c(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1C ZINC000341049846 444652378 /nfs/dbraw/zinc/65/23/78/444652378.db2.gz QDOMWHXFEUYRKL-MSOLQXFVSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1c[nH+]c(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1C ZINC000341049846 444652383 /nfs/dbraw/zinc/65/23/83/444652383.db2.gz QDOMWHXFEUYRKL-MSOLQXFVSA-N 2 2 328.460 1.701 20 0 EDADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000343897609 444654323 /nfs/dbraw/zinc/65/43/23/444654323.db2.gz XIWWSGLDKOJYJM-OAHLLOKOSA-N 2 2 341.377 1.715 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CO)c2cccc(Cl)c2F)CC1 ZINC000338340991 444644219 /nfs/dbraw/zinc/64/42/19/444644219.db2.gz BVIBYIZGVOGLAV-AWEZNQCLSA-N 2 2 343.830 1.266 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000341042291 444648196 /nfs/dbraw/zinc/64/81/96/444648196.db2.gz BDPCXVFKRFZJEA-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC(=O)N1C ZINC000333932527 444722328 /nfs/dbraw/zinc/72/23/28/444722328.db2.gz GXHCNLBATQXFPJ-VQIMIIECSA-N 2 2 345.491 1.525 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000342423693 444686891 /nfs/dbraw/zinc/68/68/91/444686891.db2.gz CIIYARJKCJYVCQ-KBAYOESNSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000342423693 444686894 /nfs/dbraw/zinc/68/68/94/444686894.db2.gz CIIYARJKCJYVCQ-KBAYOESNSA-N 2 2 335.492 1.573 20 0 EDADLP O=C(C[N@H+]1CC[C@](F)(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000338584348 444756108 /nfs/dbraw/zinc/75/61/08/444756108.db2.gz BQRLSAZCPFAPKF-LJQANCHMSA-N 2 2 349.450 1.305 20 0 EDADLP O=C(C[N@@H+]1CC[C@](F)(CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000338584348 444756116 /nfs/dbraw/zinc/75/61/16/444756116.db2.gz BQRLSAZCPFAPKF-LJQANCHMSA-N 2 2 349.450 1.305 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000334078132 444772040 /nfs/dbraw/zinc/77/20/40/444772040.db2.gz KNQIJDFYBDHSOO-MRXNPFEDSA-N 2 2 349.479 1.514 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]c(C)cc2C)C[C@@H]1[NH+]1CCOCC1 ZINC000334107422 444782620 /nfs/dbraw/zinc/78/26/20/444782620.db2.gz ZAAOFLQXOYAQNA-WMZOPIPTSA-N 2 2 346.475 1.951 20 0 EDADLP CC1(C)[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)[C@H]2CCCO[C@H]21 ZINC000344128799 444797321 /nfs/dbraw/zinc/79/73/21/444797321.db2.gz IWFRDJFRSRETCZ-KZNAEPCWSA-N 2 2 339.524 1.170 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000336866708 444811687 /nfs/dbraw/zinc/81/16/87/444811687.db2.gz PWPALUCXCOBPQX-CJNGLKHVSA-N 2 2 325.478 1.367 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000336866708 444811689 /nfs/dbraw/zinc/81/16/89/444811689.db2.gz PWPALUCXCOBPQX-CJNGLKHVSA-N 2 2 325.478 1.367 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000344108714 444785772 /nfs/dbraw/zinc/78/57/72/444785772.db2.gz DGQUCNHVPWXRIA-SLTXQBBLSA-N 2 2 325.522 1.660 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000344108714 444785776 /nfs/dbraw/zinc/78/57/76/444785776.db2.gz DGQUCNHVPWXRIA-SLTXQBBLSA-N 2 2 325.522 1.660 20 0 EDADLP COc1cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)ccn1 ZINC000342858559 444898401 /nfs/dbraw/zinc/89/84/01/444898401.db2.gz ATMUKUMLMYBJIN-UHFFFAOYSA-N 2 2 328.420 1.268 20 0 EDADLP O=C(NCCn1cc[nH+]c1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000344334966 444904152 /nfs/dbraw/zinc/90/41/52/444904152.db2.gz YOTCPXSOKZAFGG-UHFFFAOYSA-N 2 2 342.443 1.517 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000341586629 444908753 /nfs/dbraw/zinc/90/87/53/444908753.db2.gz LHRZPPQGDRGMDF-YYIAUSFCSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000341586629 444908756 /nfs/dbraw/zinc/90/87/56/444908756.db2.gz LHRZPPQGDRGMDF-YYIAUSFCSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341586629 444908758 /nfs/dbraw/zinc/90/87/58/444908758.db2.gz LHRZPPQGDRGMDF-YYIAUSFCSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341586629 444908762 /nfs/dbraw/zinc/90/87/62/444908762.db2.gz LHRZPPQGDRGMDF-YYIAUSFCSA-N 2 2 338.496 1.221 20 0 EDADLP COC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC(C)(C)O1 ZINC000330553152 445031380 /nfs/dbraw/zinc/03/13/80/445031380.db2.gz YFJWXDWKFBNXBY-MRXNPFEDSA-N 2 2 341.496 1.101 20 0 EDADLP COC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC(C)(C)O1 ZINC000330553152 445031383 /nfs/dbraw/zinc/03/13/83/445031383.db2.gz YFJWXDWKFBNXBY-MRXNPFEDSA-N 2 2 341.496 1.101 20 0 EDADLP C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342983817 444988791 /nfs/dbraw/zinc/98/87/91/444988791.db2.gz MFGHFDJCYBKRSE-YJBOKZPZSA-N 2 2 330.432 1.361 20 0 EDADLP CNC(=O)[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000341868852 445043553 /nfs/dbraw/zinc/04/35/53/445043553.db2.gz NZGWBLAYEOFRTG-RHSMWYFYSA-N 2 2 332.448 1.374 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000337549284 445132874 /nfs/dbraw/zinc/13/28/74/445132874.db2.gz QMPVABMHYYVVLH-CALCHBBNSA-N 2 2 333.480 1.290 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000337549284 445132877 /nfs/dbraw/zinc/13/28/77/445132877.db2.gz QMPVABMHYYVVLH-CALCHBBNSA-N 2 2 333.480 1.290 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433012 445139043 /nfs/dbraw/zinc/13/90/43/445139043.db2.gz HIHCZTLTDKMOBH-HXUWFJFHSA-N 2 2 345.487 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339433012 445139046 /nfs/dbraw/zinc/13/90/46/445139046.db2.gz HIHCZTLTDKMOBH-HXUWFJFHSA-N 2 2 345.487 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433012 445139050 /nfs/dbraw/zinc/13/90/50/445139050.db2.gz HIHCZTLTDKMOBH-HXUWFJFHSA-N 2 2 345.487 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433012 445139052 /nfs/dbraw/zinc/13/90/52/445139052.db2.gz HIHCZTLTDKMOBH-HXUWFJFHSA-N 2 2 345.487 1.772 20 0 EDADLP CC[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339279014 445129458 /nfs/dbraw/zinc/12/94/58/445129458.db2.gz OADJMQDVEHHNTO-HOTGVXAUSA-N 2 2 341.496 1.103 20 0 EDADLP CC[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339279014 445129464 /nfs/dbraw/zinc/12/94/64/445129464.db2.gz OADJMQDVEHHNTO-HOTGVXAUSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000342097207 445170540 /nfs/dbraw/zinc/17/05/40/445170540.db2.gz SLJDCEVGMGCZKH-CRAIPNDOSA-N 2 2 330.476 1.570 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000342097207 445170541 /nfs/dbraw/zinc/17/05/41/445170541.db2.gz SLJDCEVGMGCZKH-CRAIPNDOSA-N 2 2 330.476 1.570 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343270520 445171264 /nfs/dbraw/zinc/17/12/64/445171264.db2.gz MGOJYUSIGCKKBS-QGZVFWFLSA-N 2 2 348.491 1.620 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000343308635 445191716 /nfs/dbraw/zinc/19/17/16/445191716.db2.gz YRGNLHSSLAWOLC-ATZDWAIDSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000343308635 445191719 /nfs/dbraw/zinc/19/17/19/445191719.db2.gz YRGNLHSSLAWOLC-ATZDWAIDSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000343308635 445191723 /nfs/dbraw/zinc/19/17/23/445191723.db2.gz YRGNLHSSLAWOLC-ATZDWAIDSA-N 2 2 343.471 1.365 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000343308635 445191726 /nfs/dbraw/zinc/19/17/26/445191726.db2.gz YRGNLHSSLAWOLC-ATZDWAIDSA-N 2 2 343.471 1.365 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@H+](C)CCN2CCOCC2)CCC[NH+]1C ZINC000346885149 445227126 /nfs/dbraw/zinc/22/71/26/445227126.db2.gz MXGBKZPMINAHLA-WMZOPIPTSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)CCN2CCOCC2)CCC[NH+]1C ZINC000346885149 445227128 /nfs/dbraw/zinc/22/71/28/445227128.db2.gz MXGBKZPMINAHLA-WMZOPIPTSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)CCN2CCOCC2)CCC[N@@H+]1C ZINC000346885149 445227129 /nfs/dbraw/zinc/22/71/29/445227129.db2.gz MXGBKZPMINAHLA-WMZOPIPTSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)CCN2CCOCC2)CCC[N@H+]1C ZINC000346885149 445227131 /nfs/dbraw/zinc/22/71/31/445227131.db2.gz MXGBKZPMINAHLA-WMZOPIPTSA-N 2 2 335.496 1.067 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000348224303 445321173 /nfs/dbraw/zinc/32/11/73/445321173.db2.gz JCUCVHQQMAGERA-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000348224303 445321176 /nfs/dbraw/zinc/32/11/76/445321176.db2.gz JCUCVHQQMAGERA-MJGOQNOKSA-N 2 2 345.487 1.830 20 0 EDADLP CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000348470779 445302604 /nfs/dbraw/zinc/30/26/04/445302604.db2.gz RYJMERANRPQZJB-LSDHHAIUSA-N 2 2 343.537 1.477 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000354694106 445343669 /nfs/dbraw/zinc/34/36/69/445343669.db2.gz SSFCAHQHGRCDHT-IRXDYDNUSA-N 2 2 341.496 1.103 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000354694106 445343671 /nfs/dbraw/zinc/34/36/71/445343671.db2.gz SSFCAHQHGRCDHT-IRXDYDNUSA-N 2 2 341.496 1.103 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)C2=O)c1 ZINC000351862185 445346615 /nfs/dbraw/zinc/34/66/15/445346615.db2.gz OFKVFMQGPHUJNZ-IGCXYCKISA-N 2 2 333.432 1.478 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)C2=O)c1 ZINC000351862185 445346617 /nfs/dbraw/zinc/34/66/17/445346617.db2.gz OFKVFMQGPHUJNZ-IGCXYCKISA-N 2 2 333.432 1.478 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC000351876092 445349921 /nfs/dbraw/zinc/34/99/21/445349921.db2.gz AMKTZRIXISVCKB-OWCLPIDISA-N 2 2 339.459 1.131 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC000351876092 445349922 /nfs/dbraw/zinc/34/99/22/445349922.db2.gz AMKTZRIXISVCKB-OWCLPIDISA-N 2 2 339.459 1.131 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000362383753 445354676 /nfs/dbraw/zinc/35/46/76/445354676.db2.gz AVACPJJLYMRUER-FUHWJXTLSA-N 2 2 345.487 1.770 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000362383753 445354681 /nfs/dbraw/zinc/35/46/81/445354681.db2.gz AVACPJJLYMRUER-FUHWJXTLSA-N 2 2 345.487 1.770 20 0 EDADLP CCC[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)CC[N@@H+]1CCOC ZINC000362396789 445359618 /nfs/dbraw/zinc/35/96/18/445359618.db2.gz PXEPYVORRMHPBN-OAHLLOKOSA-N 2 2 333.480 1.402 20 0 EDADLP CCC[C@@H]1CN(c2ncnc3c2C[NH+](C)CC3)CC[N@H+]1CCOC ZINC000362396789 445359620 /nfs/dbraw/zinc/35/96/20/445359620.db2.gz PXEPYVORRMHPBN-OAHLLOKOSA-N 2 2 333.480 1.402 20 0 EDADLP CCC[C@@H]1CN(c2ncnc3c2C[N@H+](C)CC3)CC[NH+]1CCOC ZINC000362396789 445359623 /nfs/dbraw/zinc/35/96/23/445359623.db2.gz PXEPYVORRMHPBN-OAHLLOKOSA-N 2 2 333.480 1.402 20 0 EDADLP CCC[C@@H]1CN(c2ncnc3c2C[N@@H+](C)CC3)CC[NH+]1CCOC ZINC000362396789 445359627 /nfs/dbraw/zinc/35/96/27/445359627.db2.gz PXEPYVORRMHPBN-OAHLLOKOSA-N 2 2 333.480 1.402 20 0 EDADLP O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000357074782 445408827 /nfs/dbraw/zinc/40/88/27/445408827.db2.gz NIXLIZJLNYBSKD-UONOGXRCSA-N 2 2 349.504 1.219 20 0 EDADLP O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000357074759 445409583 /nfs/dbraw/zinc/40/95/83/445409583.db2.gz NIXLIZJLNYBSKD-KBPBESRZSA-N 2 2 349.504 1.219 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078060 445411966 /nfs/dbraw/zinc/41/19/66/445411966.db2.gz KHJPQSVFQIGOFO-KFWWJZLASA-N 2 2 345.443 1.716 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078060 445411969 /nfs/dbraw/zinc/41/19/69/445411969.db2.gz KHJPQSVFQIGOFO-KFWWJZLASA-N 2 2 345.443 1.716 20 0 EDADLP [NH3+]CCOCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000357082362 445415279 /nfs/dbraw/zinc/41/52/79/445415279.db2.gz OADCYTPFINFIMI-AWEZNQCLSA-N 2 2 329.238 1.798 20 0 EDADLP [NH3+]CCOCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000357082362 445415282 /nfs/dbraw/zinc/41/52/82/445415282.db2.gz OADCYTPFINFIMI-AWEZNQCLSA-N 2 2 329.238 1.798 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000357082892 445416514 /nfs/dbraw/zinc/41/65/14/445416514.db2.gz PMTHXHUWMMUMLQ-ZWKOTPCHSA-N 2 2 342.487 1.185 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000357082892 445416517 /nfs/dbraw/zinc/41/65/17/445416517.db2.gz PMTHXHUWMMUMLQ-ZWKOTPCHSA-N 2 2 342.487 1.185 20 0 EDADLP COc1ccc2nc(C[N@H+](C)CCCN3CC[NH+](C)CC3)[nH]c2n1 ZINC000355012390 445439225 /nfs/dbraw/zinc/43/92/25/445439225.db2.gz MNZQDKSVXAEAQD-UHFFFAOYSA-N 2 2 332.452 1.036 20 0 EDADLP COc1ccc2nc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)[nH]c2n1 ZINC000355012390 445439229 /nfs/dbraw/zinc/43/92/29/445439229.db2.gz MNZQDKSVXAEAQD-UHFFFAOYSA-N 2 2 332.452 1.036 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000352045050 445457625 /nfs/dbraw/zinc/45/76/25/445457625.db2.gz IUFMUXFDEADNJQ-UHFFFAOYSA-N 2 2 347.385 1.929 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000357172277 445465802 /nfs/dbraw/zinc/46/58/02/445465802.db2.gz BZQUXQFJZNEZJW-AEFFLSMTSA-N 2 2 347.528 1.809 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000357172277 445465805 /nfs/dbraw/zinc/46/58/05/445465805.db2.gz BZQUXQFJZNEZJW-AEFFLSMTSA-N 2 2 347.528 1.809 20 0 EDADLP C[C@H](C(=O)NCc1[nH+]ccn1CCCc1ccccc1)C1C[NH2+]C1 ZINC000357253941 445510126 /nfs/dbraw/zinc/51/01/26/445510126.db2.gz XNTNSOPQIQWLPC-HNNXBMFYSA-N 2 2 326.444 1.988 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000362720665 445518047 /nfs/dbraw/zinc/51/80/47/445518047.db2.gz YULCLDHWTYYUQF-CRAIPNDOSA-N 2 2 348.466 1.312 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000362720665 445518053 /nfs/dbraw/zinc/51/80/53/445518053.db2.gz YULCLDHWTYYUQF-CRAIPNDOSA-N 2 2 348.466 1.312 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000355922387 445531912 /nfs/dbraw/zinc/53/19/12/445531912.db2.gz LZHCIFMCHHXZBH-SJORKVTESA-N 2 2 342.528 1.856 20 0 EDADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NC1(c2ccccc2)CCC1 ZINC000352504841 445533581 /nfs/dbraw/zinc/53/35/81/445533581.db2.gz VGQMLJGUDGVBKD-SFHVURJKSA-N 2 2 342.487 1.162 20 0 EDADLP COc1cc(C)c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(C)n1 ZINC000362680637 445495964 /nfs/dbraw/zinc/49/59/64/445495964.db2.gz JUQHHVFNQWBVFA-HNNXBMFYSA-N 2 2 332.448 1.103 20 0 EDADLP COc1cc(C)c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(C)n1 ZINC000362680637 445495967 /nfs/dbraw/zinc/49/59/67/445495967.db2.gz JUQHHVFNQWBVFA-HNNXBMFYSA-N 2 2 332.448 1.103 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000362684124 445499745 /nfs/dbraw/zinc/49/97/45/445499745.db2.gz NWBOGTJLKHCDPY-CYBMUJFWSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000362684124 445499747 /nfs/dbraw/zinc/49/97/47/445499747.db2.gz NWBOGTJLKHCDPY-CYBMUJFWSA-N 2 2 325.815 1.875 20 0 EDADLP CNC(=O)C1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000359962604 445505265 /nfs/dbraw/zinc/50/52/65/445505265.db2.gz WCFCPYJBYLVRND-UHFFFAOYSA-N 2 2 336.505 1.868 20 0 EDADLP CNC(=O)C1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000359962604 445505266 /nfs/dbraw/zinc/50/52/66/445505266.db2.gz WCFCPYJBYLVRND-UHFFFAOYSA-N 2 2 336.505 1.868 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000362760074 445536138 /nfs/dbraw/zinc/53/61/38/445536138.db2.gz OZCSRSLCPJJIEI-BFYDXBDKSA-N 2 2 345.491 1.867 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000362760074 445536142 /nfs/dbraw/zinc/53/61/42/445536142.db2.gz OZCSRSLCPJJIEI-BFYDXBDKSA-N 2 2 345.491 1.867 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000356014649 445572343 /nfs/dbraw/zinc/57/23/43/445572343.db2.gz SBGOSDDUSCMNHD-AWEZNQCLSA-N 2 2 328.420 1.279 20 0 EDADLP C[NH+](C)Cc1ccccc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000362850750 445579738 /nfs/dbraw/zinc/57/97/38/445579738.db2.gz MKYJHOKVUPAJGQ-UHFFFAOYSA-N 2 2 327.432 1.429 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000357308223 445539514 /nfs/dbraw/zinc/53/95/14/445539514.db2.gz SMKXCHWVILLGSW-WBVHZDCISA-N 2 2 342.443 1.873 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000358277700 445615542 /nfs/dbraw/zinc/61/55/42/445615542.db2.gz PZLBUBPBGAMXLE-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000362946827 445622047 /nfs/dbraw/zinc/62/20/47/445622047.db2.gz ZUVYEQJTNKTKRI-INIZCTEOSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000362946827 445622050 /nfs/dbraw/zinc/62/20/50/445622050.db2.gz ZUVYEQJTNKTKRI-INIZCTEOSA-N 2 2 327.432 1.884 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000360213351 445631993 /nfs/dbraw/zinc/63/19/93/445631993.db2.gz UPFHCLLDYHBVQY-CQSZACIVSA-N 2 2 336.436 1.111 20 0 EDADLP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000356053980 445592968 /nfs/dbraw/zinc/59/29/68/445592968.db2.gz YIJZRVAZRMDPOY-QAPCUYQASA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H]1[C@@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000356053980 445592972 /nfs/dbraw/zinc/59/29/72/445592972.db2.gz YIJZRVAZRMDPOY-QAPCUYQASA-N 2 2 342.443 1.459 20 0 EDADLP C[NH+](CCC[N@H+](C)CCN1CCCS1(=O)=O)Cc1ccco1 ZINC000353552583 445653434 /nfs/dbraw/zinc/65/34/34/445653434.db2.gz ZDZUWBFVCNHJHY-UHFFFAOYSA-N 2 2 329.466 1.069 20 0 EDADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCN1CCCS1(=O)=O ZINC000353552583 445653437 /nfs/dbraw/zinc/65/34/37/445653437.db2.gz ZDZUWBFVCNHJHY-UHFFFAOYSA-N 2 2 329.466 1.069 20 0 EDADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCN1CCCS1(=O)=O ZINC000353552583 445653440 /nfs/dbraw/zinc/65/34/40/445653440.db2.gz ZDZUWBFVCNHJHY-UHFFFAOYSA-N 2 2 329.466 1.069 20 0 EDADLP CO[C@](C)(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000360311152 445690420 /nfs/dbraw/zinc/69/04/20/445690420.db2.gz ODWNQWPFJVGHSR-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000363137399 445692883 /nfs/dbraw/zinc/69/28/83/445692883.db2.gz YLPUKKCQSVBJLL-SJORKVTESA-N 2 2 336.524 1.536 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@H](C)C[NH+](C)C)cc1 ZINC000349867594 445703536 /nfs/dbraw/zinc/70/35/36/445703536.db2.gz KAJGKLKQLBZXHO-SJLPKXTDSA-N 2 2 348.491 1.618 20 0 EDADLP CN(CCC[NH+]1CCCC1)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000358668234 445703952 /nfs/dbraw/zinc/70/39/52/445703952.db2.gz SDWZGCWOOQWEML-MRXNPFEDSA-N 2 2 333.480 1.750 20 0 EDADLP CN(CCC[NH+]1CCCC1)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000358668234 445703954 /nfs/dbraw/zinc/70/39/54/445703954.db2.gz SDWZGCWOOQWEML-MRXNPFEDSA-N 2 2 333.480 1.750 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000363208691 445721926 /nfs/dbraw/zinc/72/19/26/445721926.db2.gz XGNDTVPZTLOINZ-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000363208691 445721930 /nfs/dbraw/zinc/72/19/30/445721930.db2.gz XGNDTVPZTLOINZ-OAHLLOKOSA-N 2 2 342.447 1.798 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000363225535 445730338 /nfs/dbraw/zinc/73/03/38/445730338.db2.gz MBBYJWJTQBFTQN-DOTOQJQBSA-N 2 2 327.432 1.837 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(O)c1 ZINC000361123595 445749872 /nfs/dbraw/zinc/74/98/72/445749872.db2.gz GUGIDROBESPFRE-ZBFHGGJFSA-N 2 2 346.475 1.921 20 0 EDADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(O)c1 ZINC000361123595 445749876 /nfs/dbraw/zinc/74/98/76/445749876.db2.gz GUGIDROBESPFRE-ZBFHGGJFSA-N 2 2 346.475 1.921 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000363316539 445763055 /nfs/dbraw/zinc/76/30/55/445763055.db2.gz LROVDXCAOLKGBA-YYIAUSFCSA-N 2 2 346.475 1.766 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000363316539 445763060 /nfs/dbraw/zinc/76/30/60/445763060.db2.gz LROVDXCAOLKGBA-YYIAUSFCSA-N 2 2 346.475 1.766 20 0 EDADLP CN1CC[NH+](C2(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CCCC2)CC1 ZINC000363322626 445766188 /nfs/dbraw/zinc/76/61/88/445766188.db2.gz JZBTXTRBFPDQSC-INIZCTEOSA-N 2 2 348.491 1.559 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C1(N2CC[NH+](C)CC2)CCCC1)c1ccco1 ZINC000363322626 445766191 /nfs/dbraw/zinc/76/61/91/445766191.db2.gz JZBTXTRBFPDQSC-INIZCTEOSA-N 2 2 348.491 1.559 20 0 EDADLP CN(Cc1nccn1C(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363478950 445821863 /nfs/dbraw/zinc/82/18/63/445821863.db2.gz DOTMIVBZWMBAHY-AWEZNQCLSA-N 2 2 327.423 1.879 20 0 EDADLP CN(Cc1nccn1C(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363478950 445821867 /nfs/dbraw/zinc/82/18/67/445821867.db2.gz DOTMIVBZWMBAHY-AWEZNQCLSA-N 2 2 327.423 1.879 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000350510872 445842076 /nfs/dbraw/zinc/84/20/76/445842076.db2.gz NQESJMMCMUDNGB-UHFFFAOYSA-N 2 2 343.431 1.549 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C[C@H]1c1ccccc1 ZINC000369113131 445936157 /nfs/dbraw/zinc/93/61/57/445936157.db2.gz OZOBQMNPCFAHDE-DLBZAZTESA-N 2 2 333.395 1.834 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000356623905 445893434 /nfs/dbraw/zinc/89/34/34/445893434.db2.gz NKKYRHRGEXTXIH-IRXDYDNUSA-N 2 2 325.497 1.722 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000356623905 445893440 /nfs/dbraw/zinc/89/34/40/445893440.db2.gz NKKYRHRGEXTXIH-IRXDYDNUSA-N 2 2 325.497 1.722 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCC2)[C@@H](C)C1 ZINC000359037630 445901878 /nfs/dbraw/zinc/90/18/78/445901878.db2.gz SCBWMUJFUMUHAU-HOTGVXAUSA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCC2)[C@@H](C)C1 ZINC000359037630 445901882 /nfs/dbraw/zinc/90/18/82/445901882.db2.gz SCBWMUJFUMUHAU-HOTGVXAUSA-N 2 2 346.537 1.680 20 0 EDADLP C[C@@H]1c2cccn2CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364228616 445902693 /nfs/dbraw/zinc/90/26/93/445902693.db2.gz DPKBFQGAUHOIAY-CVEARBPZSA-N 2 2 345.491 1.743 20 0 EDADLP C[C@@H]1c2cccn2CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364228616 445902700 /nfs/dbraw/zinc/90/27/00/445902700.db2.gz DPKBFQGAUHOIAY-CVEARBPZSA-N 2 2 345.491 1.743 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364334865 445910741 /nfs/dbraw/zinc/91/07/41/445910741.db2.gz CNRQNETYUZAGLG-RBSFLKMASA-N 2 2 333.436 1.510 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364334865 445910745 /nfs/dbraw/zinc/91/07/45/445910745.db2.gz CNRQNETYUZAGLG-RBSFLKMASA-N 2 2 333.436 1.510 20 0 EDADLP COCCC[NH+]1CCC([NH2+][C@@H](C)C2CCS(=O)(=O)CC2)CC1 ZINC000354145368 445942799 /nfs/dbraw/zinc/94/27/99/445942799.db2.gz BIQHMJMRWYYBSZ-AWEZNQCLSA-N 2 2 332.510 1.290 20 0 EDADLP CN(C(=O)[C@@H]1CCCn2ccnc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364344161 445912975 /nfs/dbraw/zinc/91/29/75/445912975.db2.gz JYJYUHJPSJGGBG-DLBZAZTESA-N 2 2 345.491 1.387 20 0 EDADLP CN(C(=O)[C@@H]1CCCn2ccnc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364344161 445912984 /nfs/dbraw/zinc/91/29/84/445912984.db2.gz JYJYUHJPSJGGBG-DLBZAZTESA-N 2 2 345.491 1.387 20 0 EDADLP CC[N@H+](CCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)CCC(F)(F)F ZINC000359166112 445993507 /nfs/dbraw/zinc/99/35/07/445993507.db2.gz IDDSHOKWDKHZSV-LLVKDONJSA-N 2 2 347.341 1.147 20 0 EDADLP CC[N@@H+](CCN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)CCC(F)(F)F ZINC000359166112 445993514 /nfs/dbraw/zinc/99/35/14/445993514.db2.gz IDDSHOKWDKHZSV-LLVKDONJSA-N 2 2 347.341 1.147 20 0 EDADLP CC[N@H+](CCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)CCC(F)(F)F ZINC000359166112 445993517 /nfs/dbraw/zinc/99/35/17/445993517.db2.gz IDDSHOKWDKHZSV-LLVKDONJSA-N 2 2 347.341 1.147 20 0 EDADLP CC[N@@H+](CCN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)CCC(F)(F)F ZINC000359166112 445993522 /nfs/dbraw/zinc/99/35/22/445993522.db2.gz IDDSHOKWDKHZSV-LLVKDONJSA-N 2 2 347.341 1.147 20 0 EDADLP CN(C(=O)NCCCn1cc[nH+]c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000365114553 446034828 /nfs/dbraw/zinc/03/48/28/446034828.db2.gz PGOJRFLDAFHUJC-UHFFFAOYSA-N 2 2 342.447 1.979 20 0 EDADLP CSC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000365118219 446037632 /nfs/dbraw/zinc/03/76/32/446037632.db2.gz GWAFZGUAAONSDR-HNNXBMFYSA-N 2 2 340.537 1.692 20 0 EDADLP CSC1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000365118219 446037639 /nfs/dbraw/zinc/03/76/39/446037639.db2.gz GWAFZGUAAONSDR-HNNXBMFYSA-N 2 2 340.537 1.692 20 0 EDADLP COC(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369275747 446040642 /nfs/dbraw/zinc/04/06/42/446040642.db2.gz COKHBCKPPPLJGX-MRXNPFEDSA-N 2 2 345.443 1.372 20 0 EDADLP COC(=O)c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369275747 446040648 /nfs/dbraw/zinc/04/06/48/446040648.db2.gz COKHBCKPPPLJGX-MRXNPFEDSA-N 2 2 345.443 1.372 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCOCc3ccccc3)C2)CC1 ZINC000369279128 446044241 /nfs/dbraw/zinc/04/42/41/446044241.db2.gz VTLFPQFONQNSQS-SFHVURJKSA-N 2 2 345.487 1.878 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000369277954 446045550 /nfs/dbraw/zinc/04/55/50/446045550.db2.gz OOZXLNFEGQYIHF-HNNXBMFYSA-N 2 2 331.464 1.046 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000369277954 446045553 /nfs/dbraw/zinc/04/55/53/446045553.db2.gz OOZXLNFEGQYIHF-HNNXBMFYSA-N 2 2 331.464 1.046 20 0 EDADLP C[NH2+]CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000583082488 325995770 /nfs/dbraw/zinc/99/57/70/325995770.db2.gz AJHHAUNDSSTALB-AWEZNQCLSA-N 2 2 340.265 1.922 20 0 EDADLP C[N@H+](CCNC(=O)NC1CC[NH+](Cc2cscn2)CC1)C1CC1 ZINC000369240550 446014894 /nfs/dbraw/zinc/01/48/94/446014894.db2.gz CVKGTKRGSIRIJO-UHFFFAOYSA-N 2 2 337.493 1.501 20 0 EDADLP C[N@@H+](CCNC(=O)NC1CC[NH+](Cc2cscn2)CC1)C1CC1 ZINC000369240550 446014900 /nfs/dbraw/zinc/01/49/00/446014900.db2.gz CVKGTKRGSIRIJO-UHFFFAOYSA-N 2 2 337.493 1.501 20 0 EDADLP CCOCC[C@@H](O)C[N@@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000373132908 446051004 /nfs/dbraw/zinc/05/10/04/446051004.db2.gz MYJXUWYUJCNYID-QGZVFWFLSA-N 2 2 338.496 1.759 20 0 EDADLP CCOCC[C@@H](O)C[N@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000373132908 446051009 /nfs/dbraw/zinc/05/10/09/446051009.db2.gz MYJXUWYUJCNYID-QGZVFWFLSA-N 2 2 338.496 1.759 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)Cc1ccc(OC)c(F)c1 ZINC000583321521 326049839 /nfs/dbraw/zinc/04/98/39/326049839.db2.gz OKADESODLNIRDA-DUVNUKRYSA-N 2 2 337.439 1.279 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)Cc1ccc(OC)c(F)c1 ZINC000583321521 326049840 /nfs/dbraw/zinc/04/98/40/326049840.db2.gz OKADESODLNIRDA-DUVNUKRYSA-N 2 2 337.439 1.279 20 0 EDADLP C[N@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@@H]1CCCOC1 ZINC000583358366 326055568 /nfs/dbraw/zinc/05/55/68/326055568.db2.gz WYSAKBLTRJBKPG-CQSZACIVSA-N 2 2 338.477 1.788 20 0 EDADLP C[N@@H+](CC(=O)Nc1nc(C[NH+]2CCCC2)cs1)[C@@H]1CCCOC1 ZINC000583358366 326055569 /nfs/dbraw/zinc/05/55/69/326055569.db2.gz WYSAKBLTRJBKPG-CQSZACIVSA-N 2 2 338.477 1.788 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000583489080 326081771 /nfs/dbraw/zinc/08/17/71/326081771.db2.gz NWZKMEWWYYRLJS-HUUCEWRRSA-N 2 2 331.395 1.700 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000583687777 326118610 /nfs/dbraw/zinc/11/86/10/326118610.db2.gz VBEDWQOVLHPUME-DOTOQJQBSA-N 2 2 346.475 1.598 20 0 EDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)n1 ZINC000359226345 446056374 /nfs/dbraw/zinc/05/63/74/446056374.db2.gz NIPYUGFSHZFLOD-QGZVFWFLSA-N 2 2 346.475 1.445 20 0 EDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)n1 ZINC000359226345 446056379 /nfs/dbraw/zinc/05/63/79/446056379.db2.gz NIPYUGFSHZFLOD-QGZVFWFLSA-N 2 2 346.475 1.445 20 0 EDADLP CCc1c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cnn1CCC(C)C ZINC000584041207 326188072 /nfs/dbraw/zinc/18/80/72/326188072.db2.gz FNMBGRGKJUEAGV-CQSZACIVSA-N 2 2 336.484 1.598 20 0 EDADLP CCc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cnn1CCC(C)C ZINC000584041207 326188075 /nfs/dbraw/zinc/18/80/75/326188075.db2.gz FNMBGRGKJUEAGV-CQSZACIVSA-N 2 2 336.484 1.598 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccncc1OCC(F)(F)F)C1CC1 ZINC000584108377 326200440 /nfs/dbraw/zinc/20/04/40/326200440.db2.gz AXNUHOUNJWXFDI-ZDUSSCGKSA-N 2 2 333.354 1.567 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccncc1OCC(F)(F)F)C1CC1 ZINC000584108377 326200442 /nfs/dbraw/zinc/20/04/42/326200442.db2.gz AXNUHOUNJWXFDI-ZDUSSCGKSA-N 2 2 333.354 1.567 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)CC1 ZINC000584166613 326212162 /nfs/dbraw/zinc/21/21/62/326212162.db2.gz SOKVNWXPIYPVSF-UHFFFAOYSA-N 2 2 345.491 1.919 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)CC1 ZINC000584166613 326212165 /nfs/dbraw/zinc/21/21/65/326212165.db2.gz SOKVNWXPIYPVSF-UHFFFAOYSA-N 2 2 345.491 1.919 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487496 446088494 /nfs/dbraw/zinc/08/84/94/446088494.db2.gz BBAWIQQPGUZRRF-HOCLYGCPSA-N 2 2 325.497 1.316 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487496 446088497 /nfs/dbraw/zinc/08/84/97/446088497.db2.gz BBAWIQQPGUZRRF-HOCLYGCPSA-N 2 2 325.497 1.316 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487496 446088501 /nfs/dbraw/zinc/08/85/01/446088501.db2.gz BBAWIQQPGUZRRF-HOCLYGCPSA-N 2 2 325.497 1.316 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC000351487496 446088504 /nfs/dbraw/zinc/08/85/04/446088504.db2.gz BBAWIQQPGUZRRF-HOCLYGCPSA-N 2 2 325.497 1.316 20 0 EDADLP COc1ccc(CC[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000361923601 446072235 /nfs/dbraw/zinc/07/22/35/446072235.db2.gz CTKUJUFISNFYTM-YLJYHZDGSA-N 2 2 347.503 1.574 20 0 EDADLP COc1ccc(CC[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000361923601 446072240 /nfs/dbraw/zinc/07/22/40/446072240.db2.gz CTKUJUFISNFYTM-YLJYHZDGSA-N 2 2 347.503 1.574 20 0 EDADLP COc1ccc(CC[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1 ZINC000361923601 446072242 /nfs/dbraw/zinc/07/22/42/446072242.db2.gz CTKUJUFISNFYTM-YLJYHZDGSA-N 2 2 347.503 1.574 20 0 EDADLP COc1ccc(CC[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1 ZINC000361923601 446072247 /nfs/dbraw/zinc/07/22/47/446072247.db2.gz CTKUJUFISNFYTM-YLJYHZDGSA-N 2 2 347.503 1.574 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccco1 ZINC000366198313 446078496 /nfs/dbraw/zinc/07/84/96/446078496.db2.gz XKXMQDKZCWUTSM-HUUCEWRRSA-N 2 2 336.436 1.045 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccco1 ZINC000366198313 446078501 /nfs/dbraw/zinc/07/85/01/446078501.db2.gz XKXMQDKZCWUTSM-HUUCEWRRSA-N 2 2 336.436 1.045 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000351483307 446084006 /nfs/dbraw/zinc/08/40/06/446084006.db2.gz NBQQMHFYEXWCFY-ZDUSSCGKSA-N 2 2 333.432 1.295 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000351483307 446084010 /nfs/dbraw/zinc/08/40/10/446084010.db2.gz NBQQMHFYEXWCFY-ZDUSSCGKSA-N 2 2 333.432 1.295 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3N3CCCC3=O)C[C@@H]12 ZINC000351486357 446085733 /nfs/dbraw/zinc/08/57/33/446085733.db2.gz ACNSDJGRZOCMLR-RBSFLKMASA-N 2 2 342.443 1.421 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3N3CCCC3=O)C[C@@H]12 ZINC000351486357 446085738 /nfs/dbraw/zinc/08/57/38/446085738.db2.gz ACNSDJGRZOCMLR-RBSFLKMASA-N 2 2 342.443 1.421 20 0 EDADLP COCCN(CC(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369374607 446114008 /nfs/dbraw/zinc/11/40/08/446114008.db2.gz TXQSLKBDBYGKOR-CYBMUJFWSA-N 2 2 348.438 1.078 20 0 EDADLP COCCN(CC(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369374607 446114010 /nfs/dbraw/zinc/11/40/10/446114010.db2.gz TXQSLKBDBYGKOR-CYBMUJFWSA-N 2 2 348.438 1.078 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359289087 446124670 /nfs/dbraw/zinc/12/46/70/446124670.db2.gz QAQVGRFUDHSBFK-ZIAGYGMSSA-N 2 2 339.386 1.398 20 0 EDADLP CC(C)[NH2+]CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000365312080 446141307 /nfs/dbraw/zinc/14/13/07/446141307.db2.gz FIXFAUSTKTYHOQ-RDTXWAMCSA-N 2 2 342.447 1.878 20 0 EDADLP CC(C)[NH2+]CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000365312080 446141314 /nfs/dbraw/zinc/14/13/14/446141314.db2.gz FIXFAUSTKTYHOQ-RDTXWAMCSA-N 2 2 342.447 1.878 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354376452 446159362 /nfs/dbraw/zinc/15/93/62/446159362.db2.gz ALVAHNGQFYLMAY-UHFFFAOYSA-N 2 2 334.464 1.376 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354376452 446159367 /nfs/dbraw/zinc/15/93/67/446159367.db2.gz ALVAHNGQFYLMAY-UHFFFAOYSA-N 2 2 334.464 1.376 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1CO ZINC000362071141 446192366 /nfs/dbraw/zinc/19/23/66/446192366.db2.gz XRAAFPZUYMFXFJ-NVXWUHKLSA-N 2 2 347.459 1.018 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1CO ZINC000362071141 446192371 /nfs/dbraw/zinc/19/23/71/446192371.db2.gz XRAAFPZUYMFXFJ-NVXWUHKLSA-N 2 2 347.459 1.018 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NCC1CCC1 ZINC000366343037 446164527 /nfs/dbraw/zinc/16/45/27/446164527.db2.gz QJNCEIYRUAPZHF-KDURUIRLSA-N 2 2 327.472 1.967 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NCC1CCC1 ZINC000366343037 446164559 /nfs/dbraw/zinc/16/45/59/446164559.db2.gz QJNCEIYRUAPZHF-KDURUIRLSA-N 2 2 327.472 1.967 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)NCC1CCC1 ZINC000366343037 446164568 /nfs/dbraw/zinc/16/45/68/446164568.db2.gz QJNCEIYRUAPZHF-KDURUIRLSA-N 2 2 327.472 1.967 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)NCC1CCC1 ZINC000366343037 446164576 /nfs/dbraw/zinc/16/45/76/446164576.db2.gz QJNCEIYRUAPZHF-KDURUIRLSA-N 2 2 327.472 1.967 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366354535 446169785 /nfs/dbraw/zinc/16/97/85/446169785.db2.gz NMFOIYPYRCFAIV-IRXDYDNUSA-N 2 2 349.479 1.558 20 0 EDADLP C[C@@H](CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2)[NH+](C)C ZINC000351573933 446170869 /nfs/dbraw/zinc/17/08/69/446170869.db2.gz LHCPLROGHBMDOV-ZDUSSCGKSA-N 2 2 326.444 1.903 20 0 EDADLP C[C@@H](CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2)[NH+](C)C ZINC000351573933 446170873 /nfs/dbraw/zinc/17/08/73/446170873.db2.gz LHCPLROGHBMDOV-ZDUSSCGKSA-N 2 2 326.444 1.903 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000354391479 446171972 /nfs/dbraw/zinc/17/19/72/446171972.db2.gz JGAMNLIYOCOXDF-QGZVFWFLSA-N 2 2 327.432 1.357 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC[N@@H+]1CCOC ZINC000354415988 446189532 /nfs/dbraw/zinc/18/95/32/446189532.db2.gz AXYDNJFVHVVUGX-HZPDHXFCSA-N 2 2 334.464 1.323 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC[N@H+]1CCOC ZINC000354415988 446189539 /nfs/dbraw/zinc/18/95/39/446189539.db2.gz AXYDNJFVHVVUGX-HZPDHXFCSA-N 2 2 334.464 1.323 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C)[NH+](C)C ZINC000351547092 446149026 /nfs/dbraw/zinc/14/90/26/446149026.db2.gz YBNKJLFHGNGSDW-IIAWOOMASA-N 2 2 340.443 1.660 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C)[NH+](C)C ZINC000351547092 446149032 /nfs/dbraw/zinc/14/90/32/446149032.db2.gz YBNKJLFHGNGSDW-IIAWOOMASA-N 2 2 340.443 1.660 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCSCC1 ZINC000373294480 446149435 /nfs/dbraw/zinc/14/94/35/446149435.db2.gz XYYODPIZEYARBV-LSDHHAIUSA-N 2 2 341.521 1.135 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCSCC1 ZINC000373294480 446149438 /nfs/dbraw/zinc/14/94/38/446149438.db2.gz XYYODPIZEYARBV-LSDHHAIUSA-N 2 2 341.521 1.135 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366444103 446218025 /nfs/dbraw/zinc/21/80/25/446218025.db2.gz QTICRPMTSLRUCH-YJBOKZPZSA-N 2 2 334.464 2.508 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366444103 446218026 /nfs/dbraw/zinc/21/80/26/446218026.db2.gz QTICRPMTSLRUCH-YJBOKZPZSA-N 2 2 334.464 2.508 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366444103 446218027 /nfs/dbraw/zinc/21/80/27/446218027.db2.gz QTICRPMTSLRUCH-YJBOKZPZSA-N 2 2 334.464 2.508 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366444103 446218028 /nfs/dbraw/zinc/21/80/28/446218028.db2.gz QTICRPMTSLRUCH-YJBOKZPZSA-N 2 2 334.464 2.508 20 0 EDADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000370342668 446237411 /nfs/dbraw/zinc/23/74/11/446237411.db2.gz LEQIJWIOMOIFPH-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000370342668 446237414 /nfs/dbraw/zinc/23/74/14/446237414.db2.gz LEQIJWIOMOIFPH-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)nc1 ZINC000373505415 446242168 /nfs/dbraw/zinc/24/21/68/446242168.db2.gz ZGLWPCLUDPUIKX-UHFFFAOYSA-N 2 2 342.447 1.148 20 0 EDADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)nc1 ZINC000373505415 446242171 /nfs/dbraw/zinc/24/21/71/446242171.db2.gz ZGLWPCLUDPUIKX-UHFFFAOYSA-N 2 2 342.447 1.148 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000373538670 446253259 /nfs/dbraw/zinc/25/32/59/446253259.db2.gz VUTZEODUECMBDB-IAGOWNOFSA-N 2 2 328.416 1.094 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000373538670 446253261 /nfs/dbraw/zinc/25/32/61/446253261.db2.gz VUTZEODUECMBDB-IAGOWNOFSA-N 2 2 328.416 1.094 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000373538670 446253263 /nfs/dbraw/zinc/25/32/63/446253263.db2.gz VUTZEODUECMBDB-IAGOWNOFSA-N 2 2 328.416 1.094 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000373538670 446253265 /nfs/dbraw/zinc/25/32/65/446253265.db2.gz VUTZEODUECMBDB-IAGOWNOFSA-N 2 2 328.416 1.094 20 0 EDADLP CC(C)Cc1nnc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)s1 ZINC000362256595 446288564 /nfs/dbraw/zinc/28/85/64/446288564.db2.gz ZGYPLJFWZQDTIY-UHFFFAOYSA-N 2 2 339.509 1.949 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000362305762 446313602 /nfs/dbraw/zinc/31/36/02/446313602.db2.gz WDNWKYNCHPIDRI-FXUDXRNXSA-N 2 2 330.494 1.043 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000362305762 446313604 /nfs/dbraw/zinc/31/36/04/446313604.db2.gz WDNWKYNCHPIDRI-FXUDXRNXSA-N 2 2 330.494 1.043 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1OC ZINC000366743657 446331832 /nfs/dbraw/zinc/33/18/32/446331832.db2.gz GYCLMANCLAVSFJ-INIZCTEOSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000370604771 446353304 /nfs/dbraw/zinc/35/33/04/446353304.db2.gz SGYQMEWFWVDEBJ-QGZVFWFLSA-N 2 2 332.448 1.277 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000376185352 446370853 /nfs/dbraw/zinc/37/08/53/446370853.db2.gz UDHQSMUJLOVFPO-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000370675675 446382751 /nfs/dbraw/zinc/38/27/51/446382751.db2.gz DEGYIULTLOSJDM-AKHDSKFASA-N 3 2 339.524 1.312 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000370675675 446382754 /nfs/dbraw/zinc/38/27/54/446382754.db2.gz DEGYIULTLOSJDM-AKHDSKFASA-N 3 2 339.524 1.312 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000370703772 446393887 /nfs/dbraw/zinc/39/38/87/446393887.db2.gz ULSVOOOMQJZPCS-WBVHZDCISA-N 2 2 349.475 1.914 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000370703772 446393888 /nfs/dbraw/zinc/39/38/88/446393888.db2.gz ULSVOOOMQJZPCS-WBVHZDCISA-N 2 2 349.475 1.914 20 0 EDADLP c1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(OC[C@H]2CCOC2)cn1 ZINC000423129226 446434882 /nfs/dbraw/zinc/43/48/82/446434882.db2.gz QWKQPIKWMIDWEG-ZOCIIQOWSA-N 2 2 347.459 1.354 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCN([C@H]4CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000420261469 446436052 /nfs/dbraw/zinc/43/60/52/446436052.db2.gz PIQCHVASHYUFJE-HOTGVXAUSA-N 2 2 330.480 1.197 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCC(O)(C[NH3+])CC2)nc[nH+]1 ZINC000420264609 446437674 /nfs/dbraw/zinc/43/76/74/446437674.db2.gz ARBCIAYAPKFLLS-RHSMWYFYSA-N 2 2 349.479 1.382 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCC(O)(C[NH3+])CC2)[nH+]cn1 ZINC000420264609 446437683 /nfs/dbraw/zinc/43/76/83/446437683.db2.gz ARBCIAYAPKFLLS-RHSMWYFYSA-N 2 2 349.479 1.382 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279884 446448315 /nfs/dbraw/zinc/44/83/15/446448315.db2.gz XQHRJRFDGLYOAW-AEFFLSMTSA-N 3 2 332.492 1.337 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279884 446448318 /nfs/dbraw/zinc/44/83/18/446448318.db2.gz XQHRJRFDGLYOAW-AEFFLSMTSA-N 3 2 332.492 1.337 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376286900 446414824 /nfs/dbraw/zinc/41/48/24/446414824.db2.gz BIROWPIWQIQLEZ-GOEBONIOSA-N 2 2 335.452 1.086 20 0 EDADLP [NH3+]C1(CNC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCC1 ZINC000418047532 446424666 /nfs/dbraw/zinc/42/46/66/446424666.db2.gz JJFOCZWYSVNSCT-UHFFFAOYSA-N 2 2 336.867 1.879 20 0 EDADLP [NH3+]C1(CNC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCC1 ZINC000418047532 446424668 /nfs/dbraw/zinc/42/46/68/446424668.db2.gz JJFOCZWYSVNSCT-UHFFFAOYSA-N 2 2 336.867 1.879 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420295540 446457730 /nfs/dbraw/zinc/45/77/30/446457730.db2.gz PMNLMNPOXUHCPO-ZFWWWQNUSA-N 2 2 333.432 1.019 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420295540 446457738 /nfs/dbraw/zinc/45/77/38/446457738.db2.gz PMNLMNPOXUHCPO-ZFWWWQNUSA-N 2 2 333.432 1.019 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(Cc3nc(C)no3)CC2)cc1 ZINC000420297499 446459810 /nfs/dbraw/zinc/45/98/10/446459810.db2.gz FZNKPLIUFDAMMV-INIZCTEOSA-N 2 2 345.447 1.247 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420300189 446464516 /nfs/dbraw/zinc/46/45/16/446464516.db2.gz UQLLFNKNJHRFKW-NSHDSACASA-N 2 2 339.461 1.923 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420306971 446469301 /nfs/dbraw/zinc/46/93/01/446469301.db2.gz ICTVNRFWGOSPOF-MRXNPFEDSA-N 2 2 333.432 1.876 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420306971 446469305 /nfs/dbraw/zinc/46/93/05/446469305.db2.gz ICTVNRFWGOSPOF-MRXNPFEDSA-N 2 2 333.432 1.876 20 0 EDADLP CN(C(=O)COCc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370842914 446474625 /nfs/dbraw/zinc/47/46/25/446474625.db2.gz QLCWTMOLUDXOTJ-IBGZPJMESA-N 2 2 345.487 1.830 20 0 EDADLP CN(C(=O)COCc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370842914 446474631 /nfs/dbraw/zinc/47/46/31/446474631.db2.gz QLCWTMOLUDXOTJ-IBGZPJMESA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420312929 446477641 /nfs/dbraw/zinc/47/76/41/446477641.db2.gz JEYZNPCTFMYPKZ-IBGZPJMESA-N 2 2 326.444 1.564 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420312929 446477646 /nfs/dbraw/zinc/47/76/46/446477646.db2.gz JEYZNPCTFMYPKZ-IBGZPJMESA-N 2 2 326.444 1.564 20 0 EDADLP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420319439 446485064 /nfs/dbraw/zinc/48/50/64/446485064.db2.gz ACPDPJAPYYBGQD-LSDHHAIUSA-N 2 2 347.459 1.710 20 0 EDADLP COc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420319439 446485075 /nfs/dbraw/zinc/48/50/75/446485075.db2.gz ACPDPJAPYYBGQD-LSDHHAIUSA-N 2 2 347.459 1.710 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(c3cnccn3)CC2)cc1 ZINC000420326125 446492548 /nfs/dbraw/zinc/49/25/48/446492548.db2.gz XCCJQMIRPXDECL-MRXNPFEDSA-N 2 2 327.432 1.350 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423362448 446502201 /nfs/dbraw/zinc/50/22/01/446502201.db2.gz HVSHOKBJBDRJJL-GRDNDAEWSA-N 3 2 327.419 1.754 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000376450895 446504787 /nfs/dbraw/zinc/50/47/87/446504787.db2.gz UFACQLRTQKWNJY-CVEARBPZSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000376450895 446504794 /nfs/dbraw/zinc/50/47/94/446504794.db2.gz UFACQLRTQKWNJY-CVEARBPZSA-N 2 2 331.464 1.502 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423373182 446506732 /nfs/dbraw/zinc/50/67/32/446506732.db2.gz WKJLSBDFNVJYNS-DMDPSCGWSA-N 2 2 328.254 1.587 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423396390 446516307 /nfs/dbraw/zinc/51/63/07/446516307.db2.gz UBOMZEDXWRUAAT-QAPCUYQASA-N 2 2 333.476 1.959 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000420341862 446514232 /nfs/dbraw/zinc/51/42/32/446514232.db2.gz QLXNFLRYLIIHGL-RCCFBDPRSA-N 3 2 330.476 1.089 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000420341862 446514235 /nfs/dbraw/zinc/51/42/35/446514235.db2.gz QLXNFLRYLIIHGL-RCCFBDPRSA-N 3 2 330.476 1.089 20 0 EDADLP Cc1ccc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1O ZINC000367566141 446562430 /nfs/dbraw/zinc/56/24/30/446562430.db2.gz TYEULMBMECUPLA-MRXNPFEDSA-N 2 2 345.487 1.870 20 0 EDADLP Cc1ccc(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1O ZINC000367566141 446562439 /nfs/dbraw/zinc/56/24/39/446562439.db2.gz TYEULMBMECUPLA-MRXNPFEDSA-N 2 2 345.487 1.870 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCc1c(F)cccc1F ZINC000420388888 446563036 /nfs/dbraw/zinc/56/30/36/446563036.db2.gz XHZWGMMJKALRLB-SFHVURJKSA-N 2 2 337.414 1.699 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCc1c(F)cccc1F ZINC000420388888 446563039 /nfs/dbraw/zinc/56/30/39/446563039.db2.gz XHZWGMMJKALRLB-SFHVURJKSA-N 2 2 337.414 1.699 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)CC2 ZINC000423532095 446564111 /nfs/dbraw/zinc/56/41/11/446564111.db2.gz QXQIYJHPYPJJDU-HIFRSBDPSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)CC2 ZINC000423532095 446564115 /nfs/dbraw/zinc/56/41/15/446564115.db2.gz QXQIYJHPYPJJDU-HIFRSBDPSA-N 2 2 347.459 1.258 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1c(F)cccc1F ZINC000423416432 446525066 /nfs/dbraw/zinc/52/50/66/446525066.db2.gz CNDXLJOYIMVTDC-MRXNPFEDSA-N 2 2 339.386 1.288 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)C1CC1 ZINC000418393627 446526020 /nfs/dbraw/zinc/52/60/20/446526020.db2.gz FKFLSJHKLVTPRL-QGZVFWFLSA-N 2 2 332.448 1.130 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000411409489 446526373 /nfs/dbraw/zinc/52/63/73/446526373.db2.gz QGUVOJHAAHZVIW-UONOGXRCSA-N 2 2 332.448 1.886 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC000411409489 446526377 /nfs/dbraw/zinc/52/63/77/446526377.db2.gz QGUVOJHAAHZVIW-UONOGXRCSA-N 2 2 332.448 1.886 20 0 EDADLP Cc1nc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)sc1C ZINC000420351580 446530471 /nfs/dbraw/zinc/53/04/71/446530471.db2.gz XJYXWSMZQGIXHD-JSGCOSHPSA-N 2 2 337.493 1.066 20 0 EDADLP Cc1nc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)sc1C ZINC000420351580 446530475 /nfs/dbraw/zinc/53/04/75/446530475.db2.gz XJYXWSMZQGIXHD-JSGCOSHPSA-N 2 2 337.493 1.066 20 0 EDADLP F[C@H]1C[C@@H](CNc2[nH]c3ccccc3[nH+]2)[N@H+](Cc2cncnc2)C1 ZINC000376489486 446531301 /nfs/dbraw/zinc/53/13/01/446531301.db2.gz VRQTUESUPGCFEJ-KBPBESRZSA-N 2 2 326.379 1.799 20 0 EDADLP F[C@H]1C[C@@H](CNc2[nH]c3ccccc3[nH+]2)[N@@H+](Cc2cncnc2)C1 ZINC000376489486 446531306 /nfs/dbraw/zinc/53/13/06/446531306.db2.gz VRQTUESUPGCFEJ-KBPBESRZSA-N 2 2 326.379 1.799 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000367274563 446531527 /nfs/dbraw/zinc/53/15/27/446531527.db2.gz NGZBPBKMJRJDNK-LSDHHAIUSA-N 2 2 329.510 1.217 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000367274563 446531535 /nfs/dbraw/zinc/53/15/35/446531535.db2.gz NGZBPBKMJRJDNK-LSDHHAIUSA-N 2 2 329.510 1.217 20 0 EDADLP CCCCNc1cc(N2CC[NH+](C3CCOCC3)CC2)nc(N)[nH+]1 ZINC000367334318 446536899 /nfs/dbraw/zinc/53/68/99/446536899.db2.gz YVDHGQBDAHELAJ-UHFFFAOYSA-N 2 2 334.468 1.572 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000420362241 446541834 /nfs/dbraw/zinc/54/18/34/446541834.db2.gz IPBUQDLTHPHAIG-DVOMOZLQSA-N 2 2 325.478 1.413 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H](C[NH3+])C(C)C)[NH+]2CCOCC2)cc1 ZINC000433169794 446542267 /nfs/dbraw/zinc/54/22/67/446542267.db2.gz SSBIFUDEWLOSGI-MSOLQXFVSA-N 2 2 333.476 1.715 20 0 EDADLP O=C(NCC[NH2+]C1CCCCCC1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418441102 446544129 /nfs/dbraw/zinc/54/41/29/446544129.db2.gz HWIWQUKJYBWKIU-CALCHBBNSA-N 2 2 338.496 1.461 20 0 EDADLP O=C(NCC[NH2+]C1CCCCCC1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418441102 446544133 /nfs/dbraw/zinc/54/41/33/446544133.db2.gz HWIWQUKJYBWKIU-CALCHBBNSA-N 2 2 338.496 1.461 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420364295 446544686 /nfs/dbraw/zinc/54/46/86/446544686.db2.gz KDJFIALSDBDFMV-INIZCTEOSA-N 2 2 333.432 1.909 20 0 EDADLP COCc1cccc(CNC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420365169 446544949 /nfs/dbraw/zinc/54/49/49/446544949.db2.gz KWECLMXYPWIRAY-SFHVURJKSA-N 2 2 333.476 1.946 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420364103 446545117 /nfs/dbraw/zinc/54/51/17/446545117.db2.gz OSWATMCAKSWZBN-MRXNPFEDSA-N 2 2 336.455 1.437 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000433209462 446547523 /nfs/dbraw/zinc/54/75/23/446547523.db2.gz QNYDMHVINGDVRC-CYBMUJFWSA-N 2 2 333.354 1.452 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCOC3CCC3)CC2)C1 ZINC000376519058 446552634 /nfs/dbraw/zinc/55/26/34/446552634.db2.gz PCFROZWKYSVRJS-SFHVURJKSA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1C[NH3+] ZINC000420375229 446552728 /nfs/dbraw/zinc/55/27/28/446552728.db2.gz IPBJEIQEASONJG-MNOVXSKESA-N 2 2 341.358 1.863 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1C[NH3+] ZINC000420375229 446552734 /nfs/dbraw/zinc/55/27/34/446552734.db2.gz IPBJEIQEASONJG-MNOVXSKESA-N 2 2 341.358 1.863 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420377200 446555340 /nfs/dbraw/zinc/55/53/40/446555340.db2.gz PLZFVVCWVVTDEN-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420377200 446555345 /nfs/dbraw/zinc/55/53/45/446555345.db2.gz PLZFVVCWVVTDEN-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423498360 446555583 /nfs/dbraw/zinc/55/55/83/446555583.db2.gz BQUBCRLZSMECSM-SJLPKXTDSA-N 2 2 325.460 1.743 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000423503512 446556652 /nfs/dbraw/zinc/55/66/52/446556652.db2.gz FWGROLKTBHXKDG-LRDDRELGSA-N 2 2 325.478 1.763 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380175 446557342 /nfs/dbraw/zinc/55/73/42/446557342.db2.gz RILPPQXBYHDAJS-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420380175 446557345 /nfs/dbraw/zinc/55/73/45/446557345.db2.gz RILPPQXBYHDAJS-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCOCC3)CC2)cc1 ZINC000376620816 446610109 /nfs/dbraw/zinc/61/01/09/446610109.db2.gz SOIIYKLAUGTIIF-UHFFFAOYSA-N 2 2 347.459 1.062 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCOCC3)CC2)cc1 ZINC000376620816 446610116 /nfs/dbraw/zinc/61/01/16/446610116.db2.gz SOIIYKLAUGTIIF-UHFFFAOYSA-N 2 2 347.459 1.062 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420395240 446570795 /nfs/dbraw/zinc/57/07/95/446570795.db2.gz DFMYOBMKYBZYCA-GOEBONIOSA-N 2 2 331.460 1.891 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420395240 446570796 /nfs/dbraw/zinc/57/07/96/446570796.db2.gz DFMYOBMKYBZYCA-GOEBONIOSA-N 2 2 331.460 1.891 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCOc1ccc(F)cc1 ZINC000420397060 446571424 /nfs/dbraw/zinc/57/14/24/446571424.db2.gz MEGOLWGBPDBQNI-QAPCUYQASA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCOc1ccc(F)cc1 ZINC000420397060 446571432 /nfs/dbraw/zinc/57/14/32/446571432.db2.gz MEGOLWGBPDBQNI-QAPCUYQASA-N 2 2 349.450 1.785 20 0 EDADLP CCc1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc(C)[nH+]1 ZINC000367728503 446581073 /nfs/dbraw/zinc/58/10/73/446581073.db2.gz MAKWCOUXDRVXDR-KBXCAEBGSA-N 2 2 328.464 2.576 20 0 EDADLP CCc1nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc(C)[nH+]1 ZINC000367728503 446581081 /nfs/dbraw/zinc/58/10/81/446581081.db2.gz MAKWCOUXDRVXDR-KBXCAEBGSA-N 2 2 328.464 2.576 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000371033553 446588091 /nfs/dbraw/zinc/58/80/91/446588091.db2.gz XOUIZVBWSQWRRS-UHFFFAOYSA-N 2 2 340.493 1.312 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000371033553 446588096 /nfs/dbraw/zinc/58/80/96/446588096.db2.gz XOUIZVBWSQWRRS-UHFFFAOYSA-N 2 2 340.493 1.312 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420415294 446588977 /nfs/dbraw/zinc/58/89/77/446588977.db2.gz VBHHZBHUBDSSKI-QAPCUYQASA-N 2 2 333.476 1.756 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420415294 446588981 /nfs/dbraw/zinc/58/89/81/446588981.db2.gz VBHHZBHUBDSSKI-QAPCUYQASA-N 2 2 333.476 1.756 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000376582915 446591026 /nfs/dbraw/zinc/59/10/26/446591026.db2.gz DQHSKPVRWXSRIJ-ZBFHGGJFSA-N 2 2 331.464 1.916 20 0 EDADLP COC(=O)c1nc(NCC[NH+]2CCC([NH+](C)C)CC2)sc1C ZINC000433785550 446599154 /nfs/dbraw/zinc/59/91/54/446599154.db2.gz RSPJVHPQYIMKFH-UHFFFAOYSA-N 2 2 326.466 1.676 20 0 EDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418756820 446676191 /nfs/dbraw/zinc/67/61/91/446676191.db2.gz IXMHQPVDMPGUBJ-CYBMUJFWSA-N 2 2 344.406 1.598 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000423690096 446641169 /nfs/dbraw/zinc/64/11/69/446641169.db2.gz NUTXAKJRZYUXOV-GOSISDBHSA-N 2 2 330.407 1.634 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)ccc2[nH+]1 ZINC000411672421 446642809 /nfs/dbraw/zinc/64/28/09/446642809.db2.gz MXLJBOVOLDRVRG-AWEZNQCLSA-N 2 2 343.431 1.429 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[C@@H]3CCC[N@H+](C)C3)ccc2[nH+]1 ZINC000411672421 446642811 /nfs/dbraw/zinc/64/28/11/446642811.db2.gz MXLJBOVOLDRVRG-AWEZNQCLSA-N 2 2 343.431 1.429 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375233737 446660001 /nfs/dbraw/zinc/66/00/01/446660001.db2.gz MFDPAWRXRYFCFM-OAHLLOKOSA-N 2 2 331.464 1.786 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000375233737 446660009 /nfs/dbraw/zinc/66/00/09/446660009.db2.gz MFDPAWRXRYFCFM-OAHLLOKOSA-N 2 2 331.464 1.786 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418737809 446662481 /nfs/dbraw/zinc/66/24/81/446662481.db2.gz WDVCVGGWEXAZEX-CABCVRRESA-N 2 2 347.463 1.582 20 0 EDADLP CC(C)Cn1ncnc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375244063 446666955 /nfs/dbraw/zinc/66/69/55/446666955.db2.gz CWZCOFVIMOYJDG-UHFFFAOYSA-N 2 2 348.539 1.784 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375261993 446677568 /nfs/dbraw/zinc/67/75/68/446677568.db2.gz LXGJQPWTRJBUJJ-GDBMZVCRSA-N 2 2 327.432 1.865 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418751502 446671431 /nfs/dbraw/zinc/67/14/31/446671431.db2.gz FNYOLWIBYWJEFF-AWEZNQCLSA-N 2 2 332.439 1.749 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434124498 446625046 /nfs/dbraw/zinc/62/50/46/446625046.db2.gz JFJUKHMVIBQWCR-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434124498 446625054 /nfs/dbraw/zinc/62/50/54/446625054.db2.gz JFJUKHMVIBQWCR-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371096685 446626060 /nfs/dbraw/zinc/62/60/60/446626060.db2.gz BBDXEOGVTVZYOG-MRXNPFEDSA-N 2 2 332.448 1.429 20 0 EDADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371096685 446626065 /nfs/dbraw/zinc/62/60/65/446626065.db2.gz BBDXEOGVTVZYOG-MRXNPFEDSA-N 2 2 332.448 1.429 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371096685 446626070 /nfs/dbraw/zinc/62/60/70/446626070.db2.gz BBDXEOGVTVZYOG-MRXNPFEDSA-N 2 2 332.448 1.429 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371096685 446626077 /nfs/dbraw/zinc/62/60/77/446626077.db2.gz BBDXEOGVTVZYOG-MRXNPFEDSA-N 2 2 332.448 1.429 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000423663738 446630334 /nfs/dbraw/zinc/63/03/34/446630334.db2.gz DMZWLBOXXVGZPC-HDICACEKSA-N 2 2 338.455 1.932 20 0 EDADLP CCOc1cc(N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)ncn1 ZINC000420625548 446708526 /nfs/dbraw/zinc/70/85/26/446708526.db2.gz KOULCLKBPIASEL-UHFFFAOYSA-N 2 2 333.480 1.872 20 0 EDADLP CCOc1cc(N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)ncn1 ZINC000420625548 446708530 /nfs/dbraw/zinc/70/85/30/446708530.db2.gz KOULCLKBPIASEL-UHFFFAOYSA-N 2 2 333.480 1.872 20 0 EDADLP CC(C)(C)c1ncc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000375311730 446711390 /nfs/dbraw/zinc/71/13/90/446711390.db2.gz WOFFQUZLPGOXGP-KRWDZBQOSA-N 2 2 347.507 1.270 20 0 EDADLP COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000411916423 446732340 /nfs/dbraw/zinc/73/23/40/446732340.db2.gz MNOXAUDHNBLABP-QGZVFWFLSA-N 2 2 342.443 1.717 20 0 EDADLP COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000411916423 446732347 /nfs/dbraw/zinc/73/23/47/446732347.db2.gz MNOXAUDHNBLABP-QGZVFWFLSA-N 2 2 342.443 1.717 20 0 EDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C(C)(C)n1cncn1 ZINC000368243176 446735210 /nfs/dbraw/zinc/73/52/10/446735210.db2.gz RUZQCTGEXFZLJK-HNSVSWJLSA-N 2 2 348.495 1.075 20 0 EDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C(C)(C)n1cncn1 ZINC000368243176 446735217 /nfs/dbraw/zinc/73/52/17/446735217.db2.gz RUZQCTGEXFZLJK-HNSVSWJLSA-N 2 2 348.495 1.075 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000423753269 446683951 /nfs/dbraw/zinc/68/39/51/446683951.db2.gz GUPLBCIPWYRGQB-CVEARBPZSA-N 2 2 336.505 1.874 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000423753269 446683957 /nfs/dbraw/zinc/68/39/57/446683957.db2.gz GUPLBCIPWYRGQB-CVEARBPZSA-N 2 2 336.505 1.874 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)cn1 ZINC000423753335 446684234 /nfs/dbraw/zinc/68/42/34/446684234.db2.gz GYIDNTWMERMHCD-NVXWUHKLSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H](C)CC[NH2+]3)CC2)cn1 ZINC000423753335 446684239 /nfs/dbraw/zinc/68/42/39/446684239.db2.gz GYIDNTWMERMHCD-NVXWUHKLSA-N 2 2 333.480 1.325 20 0 EDADLP COCCC[N@H+](CCO)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000375355794 446745043 /nfs/dbraw/zinc/74/50/43/446745043.db2.gz XPELMIGCYURIQP-UHFFFAOYSA-N 2 2 327.494 1.740 20 0 EDADLP COCCC[N@@H+](CCO)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000375355794 446745050 /nfs/dbraw/zinc/74/50/50/446745050.db2.gz XPELMIGCYURIQP-UHFFFAOYSA-N 2 2 327.494 1.740 20 0 EDADLP COCCC[NH+](CCO)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000375355794 446745054 /nfs/dbraw/zinc/74/50/54/446745054.db2.gz XPELMIGCYURIQP-UHFFFAOYSA-N 2 2 327.494 1.740 20 0 EDADLP COCCC[NH+](CCO)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000375355794 446745058 /nfs/dbraw/zinc/74/50/58/446745058.db2.gz XPELMIGCYURIQP-UHFFFAOYSA-N 2 2 327.494 1.740 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C[C@H]1C ZINC000423901205 446751619 /nfs/dbraw/zinc/75/16/19/446751619.db2.gz STMFDFXITSYQPW-RHSMWYFYSA-N 2 2 333.432 1.091 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C[C@H]1C ZINC000423901205 446751624 /nfs/dbraw/zinc/75/16/24/446751624.db2.gz STMFDFXITSYQPW-RHSMWYFYSA-N 2 2 333.432 1.091 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C[C@H]1C ZINC000423905815 446755920 /nfs/dbraw/zinc/75/59/20/446755920.db2.gz ZLKUUYBCFANKLV-GDBMZVCRSA-N 2 2 339.480 1.380 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371303780 446760127 /nfs/dbraw/zinc/76/01/27/446760127.db2.gz PWPSHJJQBZWNDZ-QZTJIDSGSA-N 2 2 338.540 1.593 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371303780 446760135 /nfs/dbraw/zinc/76/01/35/446760135.db2.gz PWPSHJJQBZWNDZ-QZTJIDSGSA-N 2 2 338.540 1.593 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423911686 446760859 /nfs/dbraw/zinc/76/08/59/446760859.db2.gz HLAAKTFXOSSBDU-DJBIQUGXSA-N 2 2 326.416 1.303 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423911686 446760862 /nfs/dbraw/zinc/76/08/62/446760862.db2.gz HLAAKTFXOSSBDU-DJBIQUGXSA-N 2 2 326.416 1.303 20 0 EDADLP CC[C@@H]1C[C@H](CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000376866966 446763081 /nfs/dbraw/zinc/76/30/81/446763081.db2.gz OZEKRDOPGYBCKZ-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP CC[C@@H]1C[C@H](CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000376866966 446763090 /nfs/dbraw/zinc/76/30/90/446763090.db2.gz OZEKRDOPGYBCKZ-JFIYKMOQSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1cc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000371314147 446766947 /nfs/dbraw/zinc/76/69/47/446766947.db2.gz QLQXIPNQPVRIIR-RDJZCZTQSA-N 2 2 332.448 1.885 20 0 EDADLP [NH3+]CC1(CC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1 ZINC000423917849 446767249 /nfs/dbraw/zinc/76/72/49/446767249.db2.gz ORQNUGIXPHJIJW-STQMWFEESA-N 2 2 325.453 1.906 20 0 EDADLP [NH3+]CC1(CC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1 ZINC000423917849 446767254 /nfs/dbraw/zinc/76/72/54/446767254.db2.gz ORQNUGIXPHJIJW-STQMWFEESA-N 2 2 325.453 1.906 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423919967 446768881 /nfs/dbraw/zinc/76/88/81/446768881.db2.gz RILPXMOANBPIKN-YXWQFLTLSA-N 2 2 339.459 1.164 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCCC1 ZINC000368304308 446772115 /nfs/dbraw/zinc/77/21/15/446772115.db2.gz LSVKSXHEYGBQPR-IRXDYDNUSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCCC1 ZINC000368304308 446772122 /nfs/dbraw/zinc/77/21/22/446772122.db2.gz LSVKSXHEYGBQPR-IRXDYDNUSA-N 2 2 338.496 1.269 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c(F)cn1 ZINC000376904174 446787276 /nfs/dbraw/zinc/78/72/76/446787276.db2.gz QKAKLGCNRYRIMI-MNRXQERYSA-N 2 2 347.394 1.633 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C)CCC2 ZINC000376945207 446813835 /nfs/dbraw/zinc/81/38/35/446813835.db2.gz MXGDRCMLXLMAJK-XHSDSOJGSA-N 2 2 349.479 1.165 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C)CCC2 ZINC000376945207 446813840 /nfs/dbraw/zinc/81/38/40/446813840.db2.gz MXGDRCMLXLMAJK-XHSDSOJGSA-N 2 2 349.479 1.165 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)C1 ZINC000423977385 446803834 /nfs/dbraw/zinc/80/38/34/446803834.db2.gz ISOPYDIIKQIFLP-AWEZNQCLSA-N 2 2 338.477 1.658 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)C1 ZINC000423977385 446803839 /nfs/dbraw/zinc/80/38/39/446803839.db2.gz ISOPYDIIKQIFLP-AWEZNQCLSA-N 2 2 338.477 1.658 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000368424003 446855675 /nfs/dbraw/zinc/85/56/75/446855675.db2.gz GPXHXMBIWOSEFP-ZOBUZTSGSA-N 2 2 349.479 1.835 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000368424003 446855680 /nfs/dbraw/zinc/85/56/80/446855680.db2.gz GPXHXMBIWOSEFP-ZOBUZTSGSA-N 2 2 349.479 1.835 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000419006008 446860798 /nfs/dbraw/zinc/86/07/98/446860798.db2.gz PUJDFSIANQACJH-QGZVFWFLSA-N 2 2 346.475 1.359 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000419006008 446860802 /nfs/dbraw/zinc/86/08/02/446860802.db2.gz PUJDFSIANQACJH-QGZVFWFLSA-N 2 2 346.475 1.359 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000420897084 446874675 /nfs/dbraw/zinc/87/46/75/446874675.db2.gz AFJFIHITWSEERG-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000420897084 446874683 /nfs/dbraw/zinc/87/46/83/446874683.db2.gz AFJFIHITWSEERG-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420932476 446905626 /nfs/dbraw/zinc/90/56/26/446905626.db2.gz HEKXCVYMZRMMMX-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420932476 446905635 /nfs/dbraw/zinc/90/56/35/446905635.db2.gz HEKXCVYMZRMMMX-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP O=C(NC1CC[NH+](Cc2cscn2)CC1)N1CC[NH+]2CCC1CC2 ZINC000368505517 446905866 /nfs/dbraw/zinc/90/58/66/446905866.db2.gz WDXOXYQUVRFBMG-UHFFFAOYSA-N 2 2 349.504 1.597 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000412234639 446907670 /nfs/dbraw/zinc/90/76/70/446907670.db2.gz QOJHQCRXZWBKKF-FZKCQIBNSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000412234639 446907680 /nfs/dbraw/zinc/90/76/80/446907680.db2.gz QOJHQCRXZWBKKF-FZKCQIBNSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000412234639 446907685 /nfs/dbraw/zinc/90/76/85/446907685.db2.gz QOJHQCRXZWBKKF-FZKCQIBNSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[C@@H](C)C1 ZINC000412234639 446907694 /nfs/dbraw/zinc/90/76/94/446907694.db2.gz QOJHQCRXZWBKKF-FZKCQIBNSA-N 2 2 339.480 1.344 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000377084773 446910570 /nfs/dbraw/zinc/91/05/70/446910570.db2.gz UGHDOBCHKCNYCT-XHSDSOJGSA-N 2 2 325.453 1.087 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000377084773 446910577 /nfs/dbraw/zinc/91/05/77/446910577.db2.gz UGHDOBCHKCNYCT-XHSDSOJGSA-N 2 2 325.453 1.087 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)NC[C@H]2CCCO2)[nH+]1 ZINC000368570452 446949320 /nfs/dbraw/zinc/94/93/20/446949320.db2.gz UPRQTQIPWPOBMP-JKSUJKDBSA-N 2 2 332.448 1.562 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NC[C@H]2CCCO2)[nH+]1 ZINC000368570452 446949326 /nfs/dbraw/zinc/94/93/26/446949326.db2.gz UPRQTQIPWPOBMP-JKSUJKDBSA-N 2 2 332.448 1.562 20 0 EDADLP CC(C)n1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000375746168 447018109 /nfs/dbraw/zinc/01/81/09/447018109.db2.gz XFAGZJSUBCXFCV-MQVJKMGUSA-N 2 2 333.480 1.637 20 0 EDADLP CC(C)n1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000375746168 447018118 /nfs/dbraw/zinc/01/81/18/447018118.db2.gz XFAGZJSUBCXFCV-MQVJKMGUSA-N 2 2 333.480 1.637 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000375747720 447019299 /nfs/dbraw/zinc/01/92/99/447019299.db2.gz DUOXLVCACPMFPF-MAUKXSAKSA-N 2 2 346.475 1.535 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000375747720 447019302 /nfs/dbraw/zinc/01/93/02/447019302.db2.gz DUOXLVCACPMFPF-MAUKXSAKSA-N 2 2 346.475 1.535 20 0 EDADLP C[N@@H+]1CCCC12CC[NH+](CC(=O)N1CCO[C@H]3CCCC[C@@H]31)CC2 ZINC000377194800 446984162 /nfs/dbraw/zinc/98/41/62/446984162.db2.gz CEQNPONLNIVHHU-IRXDYDNUSA-N 2 2 335.492 1.717 20 0 EDADLP C[N@H+]1CCCC12CC[NH+](CC(=O)N1CCO[C@H]3CCCC[C@@H]31)CC2 ZINC000377194800 446984164 /nfs/dbraw/zinc/98/41/64/446984164.db2.gz CEQNPONLNIVHHU-IRXDYDNUSA-N 2 2 335.492 1.717 20 0 EDADLP CCc1ccc([C@H](CNc2cc(NC[C@H](C)O)[nH+]cn2)[NH+](C)C)cc1 ZINC000413023909 446986440 /nfs/dbraw/zinc/98/64/40/446986440.db2.gz CFIIQYRTXIJXGZ-YOEHRIQHSA-N 2 2 343.475 2.547 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccco3)CC2)CC1 ZINC000413193499 447059049 /nfs/dbraw/zinc/05/90/49/447059049.db2.gz AIDMZXVVVJAZSS-IAGOWNOFSA-N 2 2 346.475 1.993 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000413210865 447070492 /nfs/dbraw/zinc/07/04/92/447070492.db2.gz WMWBDJHZWQTFKL-GOEBONIOSA-N 2 2 344.463 1.715 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000413210865 447070499 /nfs/dbraw/zinc/07/04/99/447070499.db2.gz WMWBDJHZWQTFKL-GOEBONIOSA-N 2 2 344.463 1.715 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCCC(=O)OC(C)(C)C)CCO2)CC1 ZINC000375821583 447080357 /nfs/dbraw/zinc/08/03/57/447080357.db2.gz CIMHFDRWKMXSMW-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCCC(=O)OC(C)(C)C)CCO2)CC1 ZINC000375821583 447080361 /nfs/dbraw/zinc/08/03/61/447080361.db2.gz CIMHFDRWKMXSMW-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000375906398 447136208 /nfs/dbraw/zinc/13/62/08/447136208.db2.gz PAAMJKXJJVIWHV-HOTGVXAUSA-N 2 2 331.464 1.502 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377451370 447140242 /nfs/dbraw/zinc/14/02/42/447140242.db2.gz MSWXUUJWRBOZLB-INIZCTEOSA-N 2 2 334.464 1.383 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000377451370 447140246 /nfs/dbraw/zinc/14/02/46/447140246.db2.gz MSWXUUJWRBOZLB-INIZCTEOSA-N 2 2 334.464 1.383 20 0 EDADLP C[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000455431805 447129467 /nfs/dbraw/zinc/12/94/67/447129467.db2.gz MHPLAFLOOCOYTE-JQHSSLGASA-N 2 2 346.475 1.231 20 0 EDADLP C[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000455431805 447129473 /nfs/dbraw/zinc/12/94/73/447129473.db2.gz MHPLAFLOOCOYTE-JQHSSLGASA-N 2 2 346.475 1.231 20 0 EDADLP CN(C)c1[nH+]cc(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)n1C ZINC000425383332 447133766 /nfs/dbraw/zinc/13/37/66/447133766.db2.gz PDXLVYCAWNKMDA-QGZVFWFLSA-N 2 2 327.476 1.845 20 0 EDADLP CN(C)c1[nH+]cc(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)n1C ZINC000425383332 447133772 /nfs/dbraw/zinc/13/37/72/447133772.db2.gz PDXLVYCAWNKMDA-QGZVFWFLSA-N 2 2 327.476 1.845 20 0 EDADLP C[N@H+](CCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000455604517 447182187 /nfs/dbraw/zinc/18/21/87/447182187.db2.gz GIQPEHZZNJJBCD-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP C[N@@H+](CCCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000455604517 447182194 /nfs/dbraw/zinc/18/21/94/447182194.db2.gz GIQPEHZZNJJBCD-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP COCC[C@H](C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000413653268 447221118 /nfs/dbraw/zinc/22/11/18/447221118.db2.gz KEIJYVUSHIGTRQ-HOTGVXAUSA-N 2 2 340.512 1.469 20 0 EDADLP COCC[C@H](C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000413653268 447221125 /nfs/dbraw/zinc/22/11/25/447221125.db2.gz KEIJYVUSHIGTRQ-HOTGVXAUSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCC(=O)OC(C)(C)C ZINC000369050141 447287529 /nfs/dbraw/zinc/28/75/29/447287529.db2.gz BYGVANQNYBLJDJ-CVEARBPZSA-N 2 2 341.496 1.055 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCC(=O)OC(C)(C)C ZINC000369050141 447287534 /nfs/dbraw/zinc/28/75/34/447287534.db2.gz BYGVANQNYBLJDJ-CVEARBPZSA-N 2 2 341.496 1.055 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCC(=O)OC(C)(C)C ZINC000369050141 447287538 /nfs/dbraw/zinc/28/75/38/447287538.db2.gz BYGVANQNYBLJDJ-CVEARBPZSA-N 2 2 341.496 1.055 20 0 EDADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000414299808 447288289 /nfs/dbraw/zinc/28/82/89/447288289.db2.gz AJSISODXMKZTAO-GOSISDBHSA-N 2 2 332.423 1.866 20 0 EDADLP CCCCOC(=O)CC[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000369050297 447289878 /nfs/dbraw/zinc/28/98/78/447289878.db2.gz DZDHCVSQXZGMHO-IAGOWNOFSA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000369050297 447289882 /nfs/dbraw/zinc/28/98/82/447289882.db2.gz DZDHCVSQXZGMHO-IAGOWNOFSA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000369050297 447289887 /nfs/dbraw/zinc/28/98/87/447289887.db2.gz DZDHCVSQXZGMHO-IAGOWNOFSA-N 2 2 341.496 1.057 20 0 EDADLP CCCCOC(=O)CC[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000369050297 447289891 /nfs/dbraw/zinc/28/98/91/447289891.db2.gz DZDHCVSQXZGMHO-IAGOWNOFSA-N 2 2 341.496 1.057 20 0 EDADLP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCCC1 ZINC000421822915 447261299 /nfs/dbraw/zinc/26/12/99/447261299.db2.gz BMEPYBWCGMMTTF-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP COC1([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCC1 ZINC000421822915 447261303 /nfs/dbraw/zinc/26/13/03/447261303.db2.gz BMEPYBWCGMMTTF-JKSUJKDBSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415527762 447496877 /nfs/dbraw/zinc/49/68/77/447496877.db2.gz RPXHDORTXPRPQH-STQMWFEESA-N 2 2 327.388 1.007 20 0 EDADLP Cn1c[nH+]cc1CC[NH2+]Cc1ncc(I)s1 ZINC000401715530 447579043 /nfs/dbraw/zinc/57/90/43/447579043.db2.gz ASYCECAUZAHNGN-UHFFFAOYSA-N 2 2 348.213 1.814 20 0 EDADLP C[N@H+](CCCCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CC1 ZINC000459134723 447590441 /nfs/dbraw/zinc/59/04/41/447590441.db2.gz DMGAYAQKCLRIER-UHFFFAOYSA-N 2 2 334.468 1.111 20 0 EDADLP C[N@@H+](CCCCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CC1 ZINC000459134723 447590445 /nfs/dbraw/zinc/59/04/45/447590445.db2.gz DMGAYAQKCLRIER-UHFFFAOYSA-N 2 2 334.468 1.111 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459360106 447646166 /nfs/dbraw/zinc/64/61/66/447646166.db2.gz DZHILULFSWJRTB-IBGZPJMESA-N 3 2 332.492 1.997 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459360106 447646169 /nfs/dbraw/zinc/64/61/69/447646169.db2.gz DZHILULFSWJRTB-IBGZPJMESA-N 3 2 332.492 1.997 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407320399 447614505 /nfs/dbraw/zinc/61/45/05/447614505.db2.gz JENYSFAHDYTHOV-GUDVDZBRSA-N 2 2 343.471 1.534 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407320399 447614510 /nfs/dbraw/zinc/61/45/10/447614510.db2.gz JENYSFAHDYTHOV-GUDVDZBRSA-N 2 2 343.471 1.534 20 0 EDADLP C[NH+](C)CC(C)(C)[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000459543312 447701779 /nfs/dbraw/zinc/70/17/79/447701779.db2.gz XRHHQNZROVBPFV-UHFFFAOYSA-N 2 2 328.478 1.789 20 0 EDADLP COc1ccc([C@H](NC(=O)NC[C@H](C)C[NH3+])c2[nH+]ccn2C)cc1 ZINC000416907698 447705000 /nfs/dbraw/zinc/70/50/00/447705000.db2.gz NBDJAZBKBVWIRC-DOMZBBRYSA-N 2 2 331.420 1.412 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000416909878 447705532 /nfs/dbraw/zinc/70/55/32/447705532.db2.gz AHYKOEZEWMSSSA-CVEARBPZSA-N 2 2 347.463 1.235 20 0 EDADLP CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1CC[C@H]([NH2+]C)C1)OCO3 ZINC000420171840 447653850 /nfs/dbraw/zinc/65/38/50/447653850.db2.gz SNXWLQMMSCOVCI-NSHDSACASA-N 2 2 343.383 1.938 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000457905870 447668125 /nfs/dbraw/zinc/66/81/25/447668125.db2.gz VJDBYBPHSJBGGC-MRXNPFEDSA-N 2 2 333.411 1.704 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422641676 447684635 /nfs/dbraw/zinc/68/46/35/447684635.db2.gz YIZADWDTLCNXPY-CQSZACIVSA-N 2 2 345.443 1.306 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)Cn1ccnn1 ZINC000459690966 447741295 /nfs/dbraw/zinc/74/12/95/447741295.db2.gz FQFNRQBHVYIARB-KRWDZBQOSA-N 2 2 349.866 1.547 20 0 EDADLP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000422761257 447742867 /nfs/dbraw/zinc/74/28/67/447742867.db2.gz LSKMBAFMOHSSOT-YOEHRIQHSA-N 2 2 333.476 1.792 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCN[C@@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000422761257 447742870 /nfs/dbraw/zinc/74/28/70/447742870.db2.gz LSKMBAFMOHSSOT-YOEHRIQHSA-N 2 2 333.476 1.792 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCN[C@@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000422761257 447742874 /nfs/dbraw/zinc/74/28/74/447742874.db2.gz LSKMBAFMOHSSOT-YOEHRIQHSA-N 2 2 333.476 1.792 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C3(CO)CCSCC3)c2cc1C ZINC000459704761 447745232 /nfs/dbraw/zinc/74/52/32/447745232.db2.gz GETXMWCADSGLLR-HNNXBMFYSA-N 2 2 349.500 1.862 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000422814024 447756877 /nfs/dbraw/zinc/75/68/77/447756877.db2.gz SXAQUMZFXYEPEZ-SJORKVTESA-N 2 2 328.416 1.315 20 0 EDADLP CC(C)(C)C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000452084859 447813246 /nfs/dbraw/zinc/81/32/46/447813246.db2.gz VPSQLQWCLBPHBY-MRXNPFEDSA-N 2 2 339.524 1.972 20 0 EDADLP CC(C)(C)C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000452084859 447813248 /nfs/dbraw/zinc/81/32/48/447813248.db2.gz VPSQLQWCLBPHBY-MRXNPFEDSA-N 2 2 339.524 1.972 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@@H]([NH3+])C(C)C)CC2 ZINC000422846929 447767897 /nfs/dbraw/zinc/76/78/97/447767897.db2.gz GZMZCYYIUYFBQD-OAHLLOKOSA-N 2 2 335.448 1.161 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@@H]([NH3+])C(C)C)CC2 ZINC000422846929 447767899 /nfs/dbraw/zinc/76/78/99/447767899.db2.gz GZMZCYYIUYFBQD-OAHLLOKOSA-N 2 2 335.448 1.161 20 0 EDADLP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422850146 447769805 /nfs/dbraw/zinc/76/98/05/447769805.db2.gz MYGWTUIYYQDOBF-YSGRDPCXSA-N 2 2 345.487 1.878 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000430554004 447777311 /nfs/dbraw/zinc/77/73/11/447777311.db2.gz MAOZNGNRIPXBDC-INIZCTEOSA-N 2 2 328.478 1.774 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000430554004 447777315 /nfs/dbraw/zinc/77/73/15/447777315.db2.gz MAOZNGNRIPXBDC-INIZCTEOSA-N 2 2 328.478 1.774 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1 ZINC000430565038 447779684 /nfs/dbraw/zinc/77/96/84/447779684.db2.gz DOBDQJZQXFXHAQ-IBGZPJMESA-N 2 2 346.475 1.824 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430565189 447780908 /nfs/dbraw/zinc/78/09/08/447780908.db2.gz OQKRCJBXMWUGAD-UKRRQHHQSA-N 2 2 332.448 1.434 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430565189 447780910 /nfs/dbraw/zinc/78/09/10/447780910.db2.gz OQKRCJBXMWUGAD-UKRRQHHQSA-N 2 2 332.448 1.434 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCn2cc[nH+]c2C1 ZINC000459989613 447781026 /nfs/dbraw/zinc/78/10/26/447781026.db2.gz KWZVDHBDMHMWSR-UHFFFAOYSA-N 2 2 349.479 1.052 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000430593750 447782331 /nfs/dbraw/zinc/78/23/31/447782331.db2.gz FLXZBRCRMCXFIJ-MWDXBVQZSA-N 2 2 325.497 1.757 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C1 ZINC000430593750 447782334 /nfs/dbraw/zinc/78/23/34/447782334.db2.gz FLXZBRCRMCXFIJ-MWDXBVQZSA-N 2 2 325.497 1.757 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc(C)[nH+]1 ZINC000422970934 447784142 /nfs/dbraw/zinc/78/41/42/447784142.db2.gz HOOPGPZQUZWPBX-HNNXBMFYSA-N 2 2 332.448 1.209 20 0 EDADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000430971268 447788703 /nfs/dbraw/zinc/78/87/03/447788703.db2.gz MNKJEMUDWZBVOR-ZBFHGGJFSA-N 2 2 347.459 1.357 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000431038688 447789746 /nfs/dbraw/zinc/78/97/46/447789746.db2.gz OOWXAYOGFJWWEQ-UHFFFAOYSA-N 2 2 341.390 2.556 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)C1C[NH2+]C1 ZINC000423085429 447802233 /nfs/dbraw/zinc/80/22/33/447802233.db2.gz JXHXIJFPBRRTOH-QMTHXVAHSA-N 2 2 338.249 1.752 20 0 EDADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423101368 447805206 /nfs/dbraw/zinc/80/52/06/447805206.db2.gz INKXZNSDQDXHNC-RBUKOAKNSA-N 2 2 326.444 1.788 20 0 EDADLP C[C@H](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000569676593 447863679 /nfs/dbraw/zinc/86/36/79/447863679.db2.gz LQJWBACDTUPHLW-SJLPKXTDSA-N 3 2 347.507 1.181 20 0 EDADLP C[C@H](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000569676593 447863684 /nfs/dbraw/zinc/86/36/84/447863684.db2.gz LQJWBACDTUPHLW-SJLPKXTDSA-N 3 2 347.507 1.181 20 0 EDADLP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000569709183 447874498 /nfs/dbraw/zinc/87/44/98/447874498.db2.gz OMCGCHTVGMVSRE-JKSUJKDBSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000569709183 447874503 /nfs/dbraw/zinc/87/45/03/447874503.db2.gz OMCGCHTVGMVSRE-JKSUJKDBSA-N 2 2 338.496 1.271 20 0 EDADLP CC(C)(C)OC(=O)NCC1(O)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000496747247 447877679 /nfs/dbraw/zinc/87/76/79/447877679.db2.gz BMVTUQYRLFMAFR-UHFFFAOYSA-N 2 2 338.452 1.625 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000497135605 447881191 /nfs/dbraw/zinc/88/11/91/447881191.db2.gz VMVLDBFVXZUPPJ-VNHYZAJKSA-N 2 2 327.469 1.429 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000497135605 447881192 /nfs/dbraw/zinc/88/11/92/447881192.db2.gz VMVLDBFVXZUPPJ-VNHYZAJKSA-N 2 2 327.469 1.429 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523778151 447907184 /nfs/dbraw/zinc/90/71/84/447907184.db2.gz VGLMKRNRVCQFKM-KGLIPLIRSA-N 2 2 328.420 1.513 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523778151 447907188 /nfs/dbraw/zinc/90/71/88/447907188.db2.gz VGLMKRNRVCQFKM-KGLIPLIRSA-N 2 2 328.420 1.513 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000551996840 447923483 /nfs/dbraw/zinc/92/34/83/447923483.db2.gz ADKDNFPWDMKAJL-MRXNPFEDSA-N 2 2 341.459 1.449 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000551996840 447923488 /nfs/dbraw/zinc/92/34/88/447923488.db2.gz ADKDNFPWDMKAJL-MRXNPFEDSA-N 2 2 341.459 1.449 20 0 EDADLP Cc1ccc(-c2ncc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)s2)cc1 ZINC000569941475 447925031 /nfs/dbraw/zinc/92/50/31/447925031.db2.gz MYIVNAQLGIHIGQ-GOEBONIOSA-N 2 2 342.468 1.862 20 0 EDADLP Cc1ccc(-c2ncc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)s2)cc1 ZINC000569941475 447925036 /nfs/dbraw/zinc/92/50/36/447925036.db2.gz MYIVNAQLGIHIGQ-GOEBONIOSA-N 2 2 342.468 1.862 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000570382852 447999321 /nfs/dbraw/zinc/99/93/21/447999321.db2.gz MSXYOEXIMUVJTM-JKSUJKDBSA-N 2 2 331.464 1.469 20 0 EDADLP CC[C@@]1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])OCCc2ccccc21 ZINC000570428388 448012897 /nfs/dbraw/zinc/01/28/97/448012897.db2.gz XBVDLXKLUCEHJQ-LPHOPBHVSA-N 2 2 346.475 1.149 20 0 EDADLP CC[C@@]1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])OCCc2ccccc21 ZINC000570428388 448012899 /nfs/dbraw/zinc/01/28/99/448012899.db2.gz XBVDLXKLUCEHJQ-LPHOPBHVSA-N 2 2 346.475 1.149 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000525793330 448026735 /nfs/dbraw/zinc/02/67/35/448026735.db2.gz XUTUSJFULKPQOA-UHFFFAOYSA-N 2 2 340.387 1.142 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)c1 ZINC000576343583 448032988 /nfs/dbraw/zinc/03/29/88/448032988.db2.gz AZKXIACWQKHXLP-VKJFTORMSA-N 2 2 331.460 1.898 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000576449909 448057309 /nfs/dbraw/zinc/05/73/09/448057309.db2.gz XECCKHVNTQPYNW-OAHLLOKOSA-N 2 2 327.432 1.881 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000531492172 448093308 /nfs/dbraw/zinc/09/33/08/448093308.db2.gz FATGJZCMTNRZGP-OAHLLOKOSA-N 2 2 331.420 1.563 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496993161 448104114 /nfs/dbraw/zinc/10/41/14/448104114.db2.gz INJDTDHZLQUSSA-KDOFPFPSSA-N 2 2 345.447 1.084 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496993161 448104116 /nfs/dbraw/zinc/10/41/16/448104116.db2.gz INJDTDHZLQUSSA-KDOFPFPSSA-N 3 2 345.447 1.084 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496993161 448104121 /nfs/dbraw/zinc/10/41/21/448104121.db2.gz INJDTDHZLQUSSA-KDOFPFPSSA-N 3 2 345.447 1.084 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cn2)CC1 ZINC000571156471 448112081 /nfs/dbraw/zinc/11/20/81/448112081.db2.gz DBKSBZXHLQKKIA-ROUUACIJSA-N 3 2 331.508 1.973 20 0 EDADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000505733846 448125679 /nfs/dbraw/zinc/12/56/79/448125679.db2.gz OJJQEMMCALLGBF-FUHWJXTLSA-N 2 2 348.491 1.618 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(CCO)CC[NH+](C)CC1)C2 ZINC000527002272 448136979 /nfs/dbraw/zinc/13/69/79/448136979.db2.gz NARLZCQQGRPJHE-CQSZACIVSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(CCO)CC[NH+](C)CC1)CC2 ZINC000527002272 448136982 /nfs/dbraw/zinc/13/69/82/448136982.db2.gz NARLZCQQGRPJHE-CQSZACIVSA-N 2 2 348.491 1.601 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000514668353 448182809 /nfs/dbraw/zinc/18/28/09/448182809.db2.gz FULCHQBZSSDPFW-VNHYZAJKSA-N 2 2 342.867 1.908 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000514668353 448182815 /nfs/dbraw/zinc/18/28/15/448182815.db2.gz FULCHQBZSSDPFW-VNHYZAJKSA-N 2 2 342.867 1.908 20 0 EDADLP Cc1csc(CCCCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000514721518 448192439 /nfs/dbraw/zinc/19/24/39/448192439.db2.gz ATRXJCREGRHXDO-CYBMUJFWSA-N 2 2 325.482 1.059 20 0 EDADLP Cc1csc(CCCCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000514721518 448192447 /nfs/dbraw/zinc/19/24/47/448192447.db2.gz ATRXJCREGRHXDO-CYBMUJFWSA-N 2 2 325.482 1.059 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000514762886 448199047 /nfs/dbraw/zinc/19/90/47/448199047.db2.gz VVKBVXMPZIBGRR-CYBMUJFWSA-N 2 2 331.420 1.509 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000514762886 448199051 /nfs/dbraw/zinc/19/90/51/448199051.db2.gz VVKBVXMPZIBGRR-CYBMUJFWSA-N 2 2 331.420 1.509 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)CC1CCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000514790479 448203913 /nfs/dbraw/zinc/20/39/13/448203913.db2.gz XCUHDUAGEFFXAM-VQTJNVASSA-N 2 2 332.488 1.936 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)CC1CCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000514790479 448203917 /nfs/dbraw/zinc/20/39/17/448203917.db2.gz XCUHDUAGEFFXAM-VQTJNVASSA-N 2 2 332.488 1.936 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)n1C ZINC000514949557 448232716 /nfs/dbraw/zinc/23/27/16/448232716.db2.gz ICVVWJFLSCTGHI-UHFFFAOYSA-N 2 2 341.459 1.557 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000514958353 448234529 /nfs/dbraw/zinc/23/45/29/448234529.db2.gz ZGCNZTZVBQWIBU-INIZCTEOSA-N 2 2 328.416 2.176 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000514958353 448234537 /nfs/dbraw/zinc/23/45/37/448234537.db2.gz ZGCNZTZVBQWIBU-INIZCTEOSA-N 2 2 328.416 2.176 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)C[N@@H+]1C1CC1 ZINC000532210307 448216286 /nfs/dbraw/zinc/21/62/86/448216286.db2.gz ULCJVJWRQPEYRF-MAUKXSAKSA-N 2 2 343.471 1.874 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)C[N@H+]1C1CC1 ZINC000532210307 448216291 /nfs/dbraw/zinc/21/62/91/448216291.db2.gz ULCJVJWRQPEYRF-MAUKXSAKSA-N 2 2 343.471 1.874 20 0 EDADLP Cc1nc(N)c(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000560499930 448222840 /nfs/dbraw/zinc/22/28/40/448222840.db2.gz UYKCYFLHOCCXSR-UHFFFAOYSA-N 2 2 339.443 1.896 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000582487761 448253188 /nfs/dbraw/zinc/25/31/88/448253188.db2.gz BAEGMXKIDPEAMK-LJQANCHMSA-N 2 2 345.491 1.234 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000577283432 448257535 /nfs/dbraw/zinc/25/75/35/448257535.db2.gz XCVCESZLBHMEJA-SFHVURJKSA-N 2 2 344.503 1.703 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)o1 ZINC000527578272 448307744 /nfs/dbraw/zinc/30/77/44/448307744.db2.gz QYVZCGCSMDDPMM-QGZVFWFLSA-N 2 2 349.475 1.546 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)o1 ZINC000527578272 448307750 /nfs/dbraw/zinc/30/77/50/448307750.db2.gz QYVZCGCSMDDPMM-QGZVFWFLSA-N 2 2 349.475 1.546 20 0 EDADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC[NH+](CCn2cccn2)CC1 ZINC000492763025 448282300 /nfs/dbraw/zinc/28/23/00/448282300.db2.gz IQZZKTWICYJBRG-ARJAWSKDSA-N 2 2 328.420 1.242 20 0 EDADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(OC(F)F)cc1C ZINC000582617358 448293509 /nfs/dbraw/zinc/29/35/09/448293509.db2.gz NMXFHDBKIUXOQD-KGLIPLIRSA-N 2 2 339.386 1.649 20 0 EDADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(OC(F)F)cc1C ZINC000582617358 448293512 /nfs/dbraw/zinc/29/35/12/448293512.db2.gz NMXFHDBKIUXOQD-KGLIPLIRSA-N 2 2 339.386 1.649 20 0 EDADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCOCC1 ZINC000572309867 448343338 /nfs/dbraw/zinc/34/33/38/448343338.db2.gz GTCINAPYUSDBLK-HQSKLWIPSA-N 2 2 337.508 1.865 20 0 EDADLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCOCC1 ZINC000572309867 448343345 /nfs/dbraw/zinc/34/33/45/448343345.db2.gz GTCINAPYUSDBLK-HQSKLWIPSA-N 2 2 337.508 1.865 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)[C@H](C[NH3+])C1 ZINC000582895205 448371596 /nfs/dbraw/zinc/37/15/96/448371596.db2.gz VZNHLRZEHUFSCD-PWSUYJOCSA-N 2 2 342.365 1.376 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCc3cc(F)c(F)c(F)c32)[C@H](C[NH3+])C1 ZINC000582895205 448371601 /nfs/dbraw/zinc/37/16/01/448371601.db2.gz VZNHLRZEHUFSCD-PWSUYJOCSA-N 2 2 342.365 1.376 20 0 EDADLP COCCC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582835433 448352786 /nfs/dbraw/zinc/35/27/86/448352786.db2.gz RJSCZZLCZPFMAE-ROUUACIJSA-N 2 2 348.491 1.309 20 0 EDADLP COCCC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582835433 448352791 /nfs/dbraw/zinc/35/27/91/448352791.db2.gz RJSCZZLCZPFMAE-ROUUACIJSA-N 2 2 348.491 1.309 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2n1C ZINC000516018371 448369629 /nfs/dbraw/zinc/36/96/29/448369629.db2.gz PPHPSDALTDAQJU-OCCSQVGLSA-N 2 2 341.415 1.173 20 0 EDADLP C[N@H+](CC[C@@H]1CCNC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000582763583 448330431 /nfs/dbraw/zinc/33/04/31/448330431.db2.gz JQERFQBORXKGRY-INIZCTEOSA-N 2 2 330.476 1.547 20 0 EDADLP C[N@@H+](CC[C@@H]1CCNC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000582763583 448330435 /nfs/dbraw/zinc/33/04/35/448330435.db2.gz JQERFQBORXKGRY-INIZCTEOSA-N 2 2 330.476 1.547 20 0 EDADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000572263891 448331166 /nfs/dbraw/zinc/33/11/66/448331166.db2.gz ACMRPZVDOIENFS-HRCADAONSA-N 2 2 332.448 1.495 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCOC[C@H]1C1CCC1)c1ccccc1 ZINC000572480317 448389694 /nfs/dbraw/zinc/38/96/94/448389694.db2.gz GRIQONDFYDZGGU-MOPGFXCFSA-N 2 2 345.487 1.906 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCOC[C@H]1C1CCC1)c1ccccc1 ZINC000572480317 448389699 /nfs/dbraw/zinc/38/96/99/448389699.db2.gz GRIQONDFYDZGGU-MOPGFXCFSA-N 2 2 345.487 1.906 20 0 EDADLP CC(C)c1cc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc(N(C)C)[nH+]1 ZINC000583015289 448403280 /nfs/dbraw/zinc/40/32/80/448403280.db2.gz WGMBIUXZWRNLRH-CQSZACIVSA-N 2 2 346.479 1.067 20 0 EDADLP c1cn(CC[N@@H+]2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)c[nH+]1 ZINC000583616086 448442534 /nfs/dbraw/zinc/44/25/34/448442534.db2.gz KLVXOCGDHGKZGY-INIZCTEOSA-N 2 2 344.463 1.318 20 0 EDADLP c1cn(CC[N@H+]2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)c[nH+]1 ZINC000583616086 448442537 /nfs/dbraw/zinc/44/25/37/448442537.db2.gz KLVXOCGDHGKZGY-INIZCTEOSA-N 2 2 344.463 1.318 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000516580787 448444251 /nfs/dbraw/zinc/44/42/51/448444251.db2.gz RUDUIKGDFIWRHC-DGCLKSJQSA-N 2 2 348.838 1.671 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000516580787 448444255 /nfs/dbraw/zinc/44/42/55/448444255.db2.gz RUDUIKGDFIWRHC-DGCLKSJQSA-N 2 2 348.838 1.671 20 0 EDADLP COc1ccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)c(F)c1 ZINC000566335888 448447999 /nfs/dbraw/zinc/44/79/99/448447999.db2.gz JNXAFKBJYBCTEW-UHFFFAOYSA-N 2 2 339.455 1.314 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000578130407 448468265 /nfs/dbraw/zinc/46/82/65/448468265.db2.gz JKBSMEFQJKBFGN-OLZOCXBDSA-N 2 2 325.482 1.486 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000578130407 448468269 /nfs/dbraw/zinc/46/82/69/448468269.db2.gz JKBSMEFQJKBFGN-OLZOCXBDSA-N 2 2 325.482 1.486 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CNC2CC[NH+](C3CCC3)CC2)C[C@@H](C)O1 ZINC000578186775 448478594 /nfs/dbraw/zinc/47/85/94/448478594.db2.gz BJLJBTMOGMACBF-IIDMSEBBSA-N 2 2 325.497 1.063 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000578187230 448480039 /nfs/dbraw/zinc/48/00/39/448480039.db2.gz VVSMAXSBOKVOOG-FDQGKXFDSA-N 2 2 347.459 1.600 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000578187230 448480045 /nfs/dbraw/zinc/48/00/45/448480045.db2.gz VVSMAXSBOKVOOG-FDQGKXFDSA-N 2 2 347.459 1.600 20 0 EDADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000572856188 448482005 /nfs/dbraw/zinc/48/20/05/448482005.db2.gz CPNUCWJATVDEDG-OCCSQVGLSA-N 2 2 340.855 1.392 20 0 EDADLP CN1CC[N@H+](CCCNC(=O)Cn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000578270420 448502307 /nfs/dbraw/zinc/50/23/07/448502307.db2.gz DKWWZYXBRGSIKH-SFHVURJKSA-N 2 2 341.459 1.378 20 0 EDADLP CN1CC[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000578270420 448502308 /nfs/dbraw/zinc/50/23/08/448502308.db2.gz DKWWZYXBRGSIKH-SFHVURJKSA-N 2 2 341.459 1.378 20 0 EDADLP C[N@@H+]1CCN(CCCNC(=O)Cn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000578270420 448502309 /nfs/dbraw/zinc/50/23/09/448502309.db2.gz DKWWZYXBRGSIKH-SFHVURJKSA-N 2 2 341.459 1.378 20 0 EDADLP C[N@H+]1CCN(CCCNC(=O)Cn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000578270420 448502311 /nfs/dbraw/zinc/50/23/11/448502311.db2.gz DKWWZYXBRGSIKH-SFHVURJKSA-N 2 2 341.459 1.378 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866488 448509461 /nfs/dbraw/zinc/50/94/61/448509461.db2.gz AENDODMUZLUNOJ-MRXNPFEDSA-N 2 2 328.416 1.845 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866488 448509467 /nfs/dbraw/zinc/50/94/67/448509467.db2.gz AENDODMUZLUNOJ-MRXNPFEDSA-N 2 2 328.416 1.845 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000584399910 448510455 /nfs/dbraw/zinc/51/04/55/448510455.db2.gz IFNSQZDWKONRJJ-BZSNNMDCSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000584399910 448510462 /nfs/dbraw/zinc/51/04/62/448510462.db2.gz IFNSQZDWKONRJJ-BZSNNMDCSA-N 2 2 346.475 1.439 20 0 EDADLP C[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000584404722 448513381 /nfs/dbraw/zinc/51/33/81/448513381.db2.gz QGMWKBQQIXWLQP-XJKSGUPXSA-N 2 2 343.468 1.566 20 0 EDADLP COC(=O)c1nccnc1NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000591915844 448573444 /nfs/dbraw/zinc/57/34/44/448573444.db2.gz WOQWSSRVSRRAAP-UHFFFAOYSA-N 2 2 347.463 1.625 20 0 EDADLP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000584466233 448537051 /nfs/dbraw/zinc/53/70/51/448537051.db2.gz DFCLMMMPNUMQNN-INIZCTEOSA-N 2 2 330.457 1.924 20 0 EDADLP COCCc1noc(CC2CC[NH+](CCn3cc[nH+]c3C)CC2)n1 ZINC000528621187 448606095 /nfs/dbraw/zinc/60/60/95/448606095.db2.gz UPUCZEWMDASIGS-UHFFFAOYSA-N 2 2 333.436 1.718 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)[NH+]1CCOCC1 ZINC000584723551 448610797 /nfs/dbraw/zinc/61/07/97/448610797.db2.gz YWPPZUKMGSJIGI-SFHVURJKSA-N 2 2 333.476 1.899 20 0 EDADLP COCC[C@H](COC)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000517733975 448610778 /nfs/dbraw/zinc/61/07/78/448610778.db2.gz MECIFQRRWXTRGJ-HZPDHXFCSA-N 2 2 335.448 1.655 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)c1ccn(C)n1 ZINC000517747216 448614162 /nfs/dbraw/zinc/61/41/62/448614162.db2.gz QVIFCTXCOHYXLT-INIZCTEOSA-N 2 2 338.415 1.198 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584769462 448624643 /nfs/dbraw/zinc/62/46/43/448624643.db2.gz NVELXFADMXQRQH-ZBFHGGJFSA-N 2 2 331.464 1.679 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000567262396 448653026 /nfs/dbraw/zinc/65/30/26/448653026.db2.gz NDAQNXSRCIMRQG-QBIMZIAESA-N 2 2 348.443 1.285 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000567262396 448653030 /nfs/dbraw/zinc/65/30/30/448653030.db2.gz NDAQNXSRCIMRQG-QBIMZIAESA-N 2 2 348.443 1.285 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276669 448656636 /nfs/dbraw/zinc/65/66/36/448656636.db2.gz QYMPAXNABPGERY-CABCVRRESA-N 2 2 349.479 1.478 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276669 448656641 /nfs/dbraw/zinc/65/66/41/448656641.db2.gz 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Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000567435130 448691251 /nfs/dbraw/zinc/69/12/51/448691251.db2.gz AYMAZPFLOAGPLR-QZWWFDLISA-N 2 2 338.471 1.815 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000579022710 448697568 /nfs/dbraw/zinc/69/75/68/448697568.db2.gz UEVSOGKVQFCODG-DGCLKSJQSA-N 2 2 327.375 1.716 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000579022710 448697574 /nfs/dbraw/zinc/69/75/74/448697574.db2.gz UEVSOGKVQFCODG-DGCLKSJQSA-N 2 2 327.375 1.716 20 0 EDADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000579093976 448711745 /nfs/dbraw/zinc/71/17/45/448711745.db2.gz KFVSJPAWOYCDHM-CRAIPNDOSA-N 2 2 335.423 1.983 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)N3CC([NH+](C)C)C3)c2)cc[nH+]1 ZINC000542649937 448716848 /nfs/dbraw/zinc/71/68/48/448716848.db2.gz RZHOFBQLJMFBHW-UHFFFAOYSA-N 2 2 325.416 1.783 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cn2)CC12CCOCC2 ZINC000579115889 448718476 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/nfs/dbraw/zinc/65/90/67/449659067.db2.gz UVTXVDJZPILCHZ-WCQYABFASA-N 2 2 341.358 1.040 20 0 EDADLP CC[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000602563040 449677230 /nfs/dbraw/zinc/67/72/30/449677230.db2.gz DBUCZRNNBWDHEH-WCJKSRRJSA-N 2 2 330.538 1.891 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617729511 449788476 /nfs/dbraw/zinc/78/84/76/449788476.db2.gz DTMNXRWYAQIKJV-UONOGXRCSA-N 2 2 330.432 1.570 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617729511 449788479 /nfs/dbraw/zinc/78/84/79/449788479.db2.gz DTMNXRWYAQIKJV-UONOGXRCSA-N 2 2 330.432 1.570 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCSc3ccc(F)cc3F)CCN2C1=O ZINC000594876406 449789336 /nfs/dbraw/zinc/78/93/36/449789336.db2.gz XZNSXCXJOVPVMG-DGCLKSJQSA-N 2 2 327.400 1.301 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCSc3ccc(F)cc3F)CCN2C1=O ZINC000594876406 449789343 /nfs/dbraw/zinc/78/93/43/449789343.db2.gz XZNSXCXJOVPVMG-DGCLKSJQSA-N 2 2 327.400 1.301 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000594924720 449809535 /nfs/dbraw/zinc/80/95/35/449809535.db2.gz MQAUZPDFYOZIDA-MMTROXRISA-N 2 2 346.471 1.801 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000594924720 449809541 /nfs/dbraw/zinc/80/95/41/449809541.db2.gz MQAUZPDFYOZIDA-MMTROXRISA-N 2 2 346.471 1.801 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000594924724 449809720 /nfs/dbraw/zinc/80/97/20/449809720.db2.gz MQAUZPDFYOZIDA-ZCDKGFTFSA-N 2 2 346.471 1.801 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000594924724 449809727 /nfs/dbraw/zinc/80/97/27/449809727.db2.gz MQAUZPDFYOZIDA-ZCDKGFTFSA-N 2 2 346.471 1.801 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C(F)(F)F)n1 ZINC000617763742 449822287 /nfs/dbraw/zinc/82/22/87/449822287.db2.gz ZKIVIOPKPRRLFI-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C(F)(F)F)n1 ZINC000617763742 449822292 /nfs/dbraw/zinc/82/22/92/449822292.db2.gz ZKIVIOPKPRRLFI-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP Cc1c2ccccc2c(=O)oc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763330 449822584 /nfs/dbraw/zinc/82/25/84/449822584.db2.gz NLDIQSVQQVXYIV-UHFFFAOYSA-N 2 2 345.443 1.715 20 0 EDADLP Cc1c2ccccc2c(=O)oc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763330 449822589 /nfs/dbraw/zinc/82/25/89/449822589.db2.gz NLDIQSVQQVXYIV-UHFFFAOYSA-N 2 2 345.443 1.715 20 0 EDADLP COC(=O)c1coc([C@H](C)[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000601326025 449833747 /nfs/dbraw/zinc/83/37/47/449833747.db2.gz QIUKPGSDVMJEEX-CORIIIEPSA-N 2 2 337.420 1.741 20 0 EDADLP COC(=O)c1coc([C@@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000601325187 449833879 /nfs/dbraw/zinc/83/38/79/449833879.db2.gz HZKNEOZMQKFGKV-TZMCWYRMSA-N 2 2 337.420 1.613 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Br)o1 ZINC000617768691 449834228 /nfs/dbraw/zinc/83/42/28/449834228.db2.gz QFODKUUFPYKIQR-UHFFFAOYSA-N 2 2 332.242 1.655 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Br)o1 ZINC000617768691 449834232 /nfs/dbraw/zinc/83/42/32/449834232.db2.gz QFODKUUFPYKIQR-UHFFFAOYSA-N 2 2 332.242 1.655 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC(=O)NCc1ccccc1 ZINC000601334720 449843507 /nfs/dbraw/zinc/84/35/07/449843507.db2.gz MTNUATKJEPKBLT-IRXDYDNUSA-N 2 2 344.459 1.476 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC(=O)NCc1ccccc1 ZINC000601334720 449843512 /nfs/dbraw/zinc/84/35/12/449843512.db2.gz MTNUATKJEPKBLT-IRXDYDNUSA-N 2 2 344.459 1.476 20 0 EDADLP C[N@H+](CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000608500765 449860696 /nfs/dbraw/zinc/86/06/96/449860696.db2.gz DGWUGJQYXOHPRR-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP C[N@@H+](CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000608500765 449860700 /nfs/dbraw/zinc/86/07/00/449860700.db2.gz DGWUGJQYXOHPRR-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP CS[C@@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH+](C)C ZINC000601379590 449895695 /nfs/dbraw/zinc/89/56/95/449895695.db2.gz LQJOGFYLNVRSAD-IAGOWNOFSA-N 2 2 344.484 1.919 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612968800 449962577 /nfs/dbraw/zinc/96/25/77/449962577.db2.gz AGVWDPKGBJWYNU-INIZCTEOSA-N 2 2 343.406 1.953 20 0 EDADLP CO[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCC1 ZINC000613004974 449979639 /nfs/dbraw/zinc/97/96/39/449979639.db2.gz JHFJGGIGOYNABC-UJJTZGENSA-N 2 2 335.492 1.571 20 0 EDADLP CO[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCC1 ZINC000613004974 449979646 /nfs/dbraw/zinc/97/96/46/449979646.db2.gz JHFJGGIGOYNABC-UJJTZGENSA-N 2 2 335.492 1.571 20 0 EDADLP CO[C@H]1CC[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000613006245 449980157 /nfs/dbraw/zinc/98/01/57/449980157.db2.gz SOZDRWNQTVLNDM-AQDBYXPISA-N 2 2 335.492 1.571 20 0 EDADLP CO[C@H]1CC[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000613006245 449980162 /nfs/dbraw/zinc/98/01/62/449980162.db2.gz SOZDRWNQTVLNDM-AQDBYXPISA-N 2 2 335.492 1.571 20 0 EDADLP CN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601475431 449999413 /nfs/dbraw/zinc/99/94/13/449999413.db2.gz ZTZUIGBKZOTOMI-SFHVURJKSA-N 2 2 343.471 1.862 20 0 EDADLP CN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601475431 449999418 /nfs/dbraw/zinc/99/94/18/449999418.db2.gz ZTZUIGBKZOTOMI-SFHVURJKSA-N 2 2 343.471 1.862 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)[nH][nH]c3=O)CC2)CC1 ZINC000615222773 450007904 /nfs/dbraw/zinc/00/79/04/450007904.db2.gz VMNKWEPCKULSAL-UHFFFAOYSA-N 2 2 335.452 1.559 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000601516086 450037913 /nfs/dbraw/zinc/03/79/13/450037913.db2.gz WHZGFQIXSKGRFJ-MRXNPFEDSA-N 2 2 327.432 1.792 20 0 EDADLP COCC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000601516086 450037914 /nfs/dbraw/zinc/03/79/14/450037914.db2.gz WHZGFQIXSKGRFJ-MRXNPFEDSA-N 2 2 327.432 1.792 20 0 EDADLP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000615553791 450143061 /nfs/dbraw/zinc/14/30/61/450143061.db2.gz UVNNBNPSVKUECO-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C2)CC1 ZINC000610250196 450164470 /nfs/dbraw/zinc/16/44/70/450164470.db2.gz DPRFPYLLZYSXOH-CVEARBPZSA-N 2 2 325.497 1.817 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C2)CC1 ZINC000610250196 450164477 /nfs/dbraw/zinc/16/44/77/450164477.db2.gz DPRFPYLLZYSXOH-CVEARBPZSA-N 2 2 325.497 1.817 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC000618354138 450170332 /nfs/dbraw/zinc/17/03/32/450170332.db2.gz VGJUTQSMPJCVLW-MOPGFXCFSA-N 2 2 345.487 1.483 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC000618354138 450170338 /nfs/dbraw/zinc/17/03/38/450170338.db2.gz VGJUTQSMPJCVLW-MOPGFXCFSA-N 2 2 345.487 1.483 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354138 450170343 /nfs/dbraw/zinc/17/03/43/450170343.db2.gz VGJUTQSMPJCVLW-MOPGFXCFSA-N 2 2 345.487 1.483 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354138 450170349 /nfs/dbraw/zinc/17/03/49/450170349.db2.gz VGJUTQSMPJCVLW-MOPGFXCFSA-N 2 2 345.487 1.483 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618353848 450171219 /nfs/dbraw/zinc/17/12/19/450171219.db2.gz OXDXNZPJSFFQIG-KRWDZBQOSA-N 2 2 326.444 1.738 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618353848 450171221 /nfs/dbraw/zinc/17/12/21/450171221.db2.gz OXDXNZPJSFFQIG-KRWDZBQOSA-N 2 2 326.444 1.738 20 0 EDADLP CCOC(=O)COCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000599664108 450137966 /nfs/dbraw/zinc/13/79/66/450137966.db2.gz NKTXUGNYCSVIEC-UHFFFAOYSA-N 2 2 328.453 1.143 20 0 EDADLP COC(=O)c1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ncn1 ZINC000603319776 450241568 /nfs/dbraw/zinc/24/15/68/450241568.db2.gz OJKVBCGABWQALB-UHFFFAOYSA-N 2 2 347.463 1.258 20 0 EDADLP COc1cncc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1 ZINC000625352792 450308218 /nfs/dbraw/zinc/30/82/18/450308218.db2.gz REMGGBKHBCWKHT-KBXCAEBGSA-N 2 2 344.463 1.734 20 0 EDADLP COc1cncc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000625352792 450308228 /nfs/dbraw/zinc/30/82/28/450308228.db2.gz REMGGBKHBCWKHT-KBXCAEBGSA-N 2 2 344.463 1.734 20 0 EDADLP COc1cncc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000625352792 450308234 /nfs/dbraw/zinc/30/82/34/450308234.db2.gz REMGGBKHBCWKHT-KBXCAEBGSA-N 2 2 344.463 1.734 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000619897623 450364974 /nfs/dbraw/zinc/36/49/74/450364974.db2.gz DVCLMJVKQLHFIP-QAETUUGQSA-N 2 2 325.497 1.721 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000619897623 450364981 /nfs/dbraw/zinc/36/49/81/450364981.db2.gz DVCLMJVKQLHFIP-QAETUUGQSA-N 2 2 325.497 1.721 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623408760 450516927 /nfs/dbraw/zinc/51/69/27/450516927.db2.gz COMKKZSHYGDWJX-CQSZACIVSA-N 2 2 332.427 1.132 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000623393741 450512837 /nfs/dbraw/zinc/51/28/37/450512837.db2.gz NRSAECWESBFQHG-QAPCUYQASA-N 2 2 346.475 1.063 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000623393741 450512839 /nfs/dbraw/zinc/51/28/39/450512839.db2.gz NRSAECWESBFQHG-QAPCUYQASA-N 2 2 346.475 1.063 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1COCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000623393741 450512841 /nfs/dbraw/zinc/51/28/41/450512841.db2.gz NRSAECWESBFQHG-QAPCUYQASA-N 2 2 346.475 1.063 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1COCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000623393741 450512845 /nfs/dbraw/zinc/51/28/45/450512845.db2.gz NRSAECWESBFQHG-QAPCUYQASA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)c1[nH+]ccn1C ZINC000620603176 450520347 /nfs/dbraw/zinc/52/03/47/450520347.db2.gz FVSDRDOFCZPJPX-PBHICJAKSA-N 2 2 342.443 1.795 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000625850508 450521078 /nfs/dbraw/zinc/52/10/78/450521078.db2.gz SXDQAACVEZFJJE-ZBFHGGJFSA-N 2 2 332.448 1.781 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623488702 450530394 /nfs/dbraw/zinc/53/03/94/450530394.db2.gz AIRQFELOVGFXDG-LSDHHAIUSA-N 3 2 333.480 1.374 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000623488702 450530396 /nfs/dbraw/zinc/53/03/96/450530396.db2.gz AIRQFELOVGFXDG-LSDHHAIUSA-N 3 2 333.480 1.374 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC000626006871 450552522 /nfs/dbraw/zinc/55/25/22/450552522.db2.gz MTIABOPHLJKHOH-UHFFFAOYSA-N 2 2 341.377 1.838 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)CC1 ZINC000626006871 450552524 /nfs/dbraw/zinc/55/25/24/450552524.db2.gz MTIABOPHLJKHOH-UHFFFAOYSA-N 2 2 341.377 1.838 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)c1ccc(F)cc1 ZINC000623630850 450554998 /nfs/dbraw/zinc/55/49/98/450554998.db2.gz YGEUUDLLZPSRPC-HOTGVXAUSA-N 2 2 338.427 1.058 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)c1ccc(F)cc1 ZINC000623630850 450554999 /nfs/dbraw/zinc/55/49/99/450554999.db2.gz YGEUUDLLZPSRPC-HOTGVXAUSA-N 2 2 338.427 1.058 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000626089586 450573039 /nfs/dbraw/zinc/57/30/39/450573039.db2.gz WNKUPDMCVBAUDV-IAGOWNOFSA-N 2 2 326.481 1.615 20 0 EDADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000623838321 450611028 /nfs/dbraw/zinc/61/10/28/450611028.db2.gz PEPIRLFERQJJSC-KBPBESRZSA-N 2 2 339.277 1.963 20 0 EDADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000623838321 450611031 /nfs/dbraw/zinc/61/10/31/450611031.db2.gz PEPIRLFERQJJSC-KBPBESRZSA-N 2 2 339.277 1.963 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCCO1 ZINC000623860348 450617832 /nfs/dbraw/zinc/61/78/32/450617832.db2.gz SNGGBLXIFALTLV-DLBZAZTESA-N 2 2 333.480 1.536 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000621280128 450653565 /nfs/dbraw/zinc/65/35/65/450653565.db2.gz NCCTUCWRNSZDDS-MRXNPFEDSA-N 2 2 327.494 1.282 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000621280128 450653572 /nfs/dbraw/zinc/65/35/72/450653572.db2.gz NCCTUCWRNSZDDS-MRXNPFEDSA-N 2 2 327.494 1.282 20 0 EDADLP CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635134972 450679913 /nfs/dbraw/zinc/67/99/13/450679913.db2.gz LXIYYSYWPGWRPQ-SFHVURJKSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635134972 450679917 /nfs/dbraw/zinc/67/99/17/450679917.db2.gz LXIYYSYWPGWRPQ-SFHVURJKSA-N 2 2 331.460 1.870 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCc3[nH]c[nH+]c3C2)CC1 ZINC000627369619 450681822 /nfs/dbraw/zinc/68/18/22/450681822.db2.gz YPGSNILIXJGQCF-UHFFFAOYSA-N 2 2 325.416 1.914 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000627369619 450681825 /nfs/dbraw/zinc/68/18/25/450681825.db2.gz YPGSNILIXJGQCF-UHFFFAOYSA-N 2 2 325.416 1.914 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561681 450737676 /nfs/dbraw/zinc/73/76/76/450737676.db2.gz IYQYDWPTHSFTDN-UGUYLWEFSA-N 3 2 345.409 1.376 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561681 450737681 /nfs/dbraw/zinc/73/76/81/450737681.db2.gz IYQYDWPTHSFTDN-UGUYLWEFSA-N 3 2 345.409 1.376 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566142 450738862 /nfs/dbraw/zinc/73/88/62/450738862.db2.gz MHSMEWZEQSOALA-RWMBFGLXSA-N 2 2 339.402 1.377 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566142 450738865 /nfs/dbraw/zinc/73/88/65/450738865.db2.gz MHSMEWZEQSOALA-RWMBFGLXSA-N 2 2 339.402 1.377 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccncc1OC[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000629581002 450747520 /nfs/dbraw/zinc/74/75/20/450747520.db2.gz JPQKTLWVCXQBBL-RDJZCZTQSA-N 2 2 335.448 1.043 20 0 EDADLP O[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C[NH+]1CCCC1 ZINC000629583339 450749154 /nfs/dbraw/zinc/74/91/54/450749154.db2.gz ZHKUPLRRJRHNKA-OAGGEKHMSA-N 2 2 346.393 1.567 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000635217736 450760957 /nfs/dbraw/zinc/76/09/57/450760957.db2.gz SWVUCKHJZFGOPZ-WMZOPIPTSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000635217736 450760960 /nfs/dbraw/zinc/76/09/60/450760960.db2.gz SWVUCKHJZFGOPZ-WMZOPIPTSA-N 2 2 331.460 1.518 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635252852 450784396 /nfs/dbraw/zinc/78/43/96/450784396.db2.gz CHFMMPMMNGSBGU-IAGOWNOFSA-N 2 2 339.443 1.452 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635252852 450784403 /nfs/dbraw/zinc/78/44/03/450784403.db2.gz CHFMMPMMNGSBGU-IAGOWNOFSA-N 2 2 339.443 1.452 20 0 EDADLP C[C@@H]1C[N@H+](CCNc2nc3ccccc3n3c[nH+]cc23)[C@@H](C)CO1 ZINC000624392682 450829174 /nfs/dbraw/zinc/82/91/74/450829174.db2.gz XCUHYDHBFQIBHQ-UONOGXRCSA-N 2 2 325.416 2.404 20 0 EDADLP C[C@@H]1C[N@@H+](CCNc2nc3ccccc3n3c[nH+]cc23)[C@@H](C)CO1 ZINC000624392682 450829177 /nfs/dbraw/zinc/82/91/77/450829177.db2.gz XCUHYDHBFQIBHQ-UONOGXRCSA-N 2 2 325.416 2.404 20 0 EDADLP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868321 450837111 /nfs/dbraw/zinc/83/71/11/450837111.db2.gz DIQPREZQWNYKRM-CLCXKQKWSA-N 2 2 331.460 1.946 20 0 EDADLP C[NH+](C)Cc1ccc(F)c(-c2ccc(NCCOCCO)[nH+]c2)c1 ZINC000629736962 450794261 /nfs/dbraw/zinc/79/42/61/450794261.db2.gz NDNFENOYXAGWFY-UHFFFAOYSA-N 2 2 333.407 2.370 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCCCC[NH+]1CCOCC1 ZINC000635332595 450858148 /nfs/dbraw/zinc/85/81/48/450858148.db2.gz COPQNFYPYTXGQY-CYBMUJFWSA-N 2 2 348.369 1.605 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)c2ccccc21 ZINC000621763269 450860015 /nfs/dbraw/zinc/86/00/15/450860015.db2.gz UUSKQOSDYKIVKV-SJLPKXTDSA-N 2 2 331.460 1.921 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)c2ccccc21 ZINC000621763269 450860020 /nfs/dbraw/zinc/86/00/20/450860020.db2.gz UUSKQOSDYKIVKV-SJLPKXTDSA-N 2 2 331.460 1.921 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000629917437 450887472 /nfs/dbraw/zinc/88/74/72/450887472.db2.gz CAEDRDPKRGBGFA-LSDHHAIUSA-N 2 2 325.840 1.126 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000629917437 450887479 /nfs/dbraw/zinc/88/74/79/450887479.db2.gz CAEDRDPKRGBGFA-LSDHHAIUSA-N 2 2 325.840 1.126 20 0 EDADLP C[N@H+](CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C1CCC1 ZINC000629944092 450905605 /nfs/dbraw/zinc/90/56/05/450905605.db2.gz IMBZGXSIFZYNBU-UHFFFAOYSA-N 2 2 341.459 1.463 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C1CCC1 ZINC000629944092 450905608 /nfs/dbraw/zinc/90/56/08/450905608.db2.gz IMBZGXSIFZYNBU-UHFFFAOYSA-N 2 2 341.459 1.463 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c4cccnc34)C2)CC1 ZINC000621866290 450906789 /nfs/dbraw/zinc/90/67/89/450906789.db2.gz PWDGDGKERJKDRU-CYBMUJFWSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]c4cccnc34)C2)CC1 ZINC000621866290 450906795 /nfs/dbraw/zinc/90/67/95/450906795.db2.gz PWDGDGKERJKDRU-CYBMUJFWSA-N 2 2 327.432 1.461 20 0 EDADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635400813 450907456 /nfs/dbraw/zinc/90/74/56/450907456.db2.gz HFOFJLHOGQYRSS-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000635400813 450907457 /nfs/dbraw/zinc/90/74/57/450907457.db2.gz HFOFJLHOGQYRSS-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000635400813 450907460 /nfs/dbraw/zinc/90/74/60/450907460.db2.gz HFOFJLHOGQYRSS-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000635400813 450907463 /nfs/dbraw/zinc/90/74/63/450907463.db2.gz HFOFJLHOGQYRSS-AEFFLSMTSA-N 2 2 331.460 1.728 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739790 450910220 /nfs/dbraw/zinc/91/02/20/450910220.db2.gz QWFCJTJLYZRUHU-UHFFFAOYSA-N 2 2 328.416 1.661 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627739790 450910223 /nfs/dbraw/zinc/91/02/23/450910223.db2.gz QWFCJTJLYZRUHU-UHFFFAOYSA-N 2 2 328.416 1.661 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000635421431 450927753 /nfs/dbraw/zinc/92/77/53/450927753.db2.gz GAJKXIGZVLXERU-ZVDSWSACSA-N 2 2 332.448 1.613 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000635421431 450927759 /nfs/dbraw/zinc/92/77/59/450927759.db2.gz GAJKXIGZVLXERU-ZVDSWSACSA-N 2 2 332.448 1.613 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000635421431 450927762 /nfs/dbraw/zinc/92/77/62/450927762.db2.gz GAJKXIGZVLXERU-ZVDSWSACSA-N 2 2 332.448 1.613 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000635421431 450927766 /nfs/dbraw/zinc/92/77/66/450927766.db2.gz GAJKXIGZVLXERU-ZVDSWSACSA-N 2 2 332.448 1.613 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621914962 450935224 /nfs/dbraw/zinc/93/52/24/450935224.db2.gz NMUDBXWQQGXROD-OAHLLOKOSA-N 3 2 333.480 1.314 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621914962 450935226 /nfs/dbraw/zinc/93/52/26/450935226.db2.gz NMUDBXWQQGXROD-OAHLLOKOSA-N 3 2 333.480 1.314 20 0 EDADLP C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CCC1 ZINC000630000206 450944090 /nfs/dbraw/zinc/94/40/90/450944090.db2.gz HFIKRBYZCARGMZ-OAHLLOKOSA-N 2 2 348.466 1.595 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000635480307 450979930 /nfs/dbraw/zinc/97/99/30/450979930.db2.gz RLWAZTMSNRAXAZ-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000635480307 450979933 /nfs/dbraw/zinc/97/99/33/450979933.db2.gz RLWAZTMSNRAXAZ-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP C[C@H]([C@H](C)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[NH+]1CCOCC1 ZINC000635505724 451000842 /nfs/dbraw/zinc/00/08/42/451000842.db2.gz DCXCXYOQMROMFI-YNEHKIRRSA-N 2 2 348.369 1.602 20 0 EDADLP C[NH2+]CCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000626926695 451009291 /nfs/dbraw/zinc/00/92/91/451009291.db2.gz CUKYVKRRKTUKPC-OAHLLOKOSA-N 2 2 349.410 1.184 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCCOCCC[NH3+])c1ccccc1 ZINC000626927635 451010375 /nfs/dbraw/zinc/01/03/75/451010375.db2.gz VXILPZIZFJCDGT-OAHLLOKOSA-N 2 2 331.420 1.174 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000628015969 451088727 /nfs/dbraw/zinc/08/87/27/451088727.db2.gz NYQQUVOOOGQZGR-WCVJEAGWSA-N 2 2 334.464 1.368 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000628015969 451088734 /nfs/dbraw/zinc/08/87/34/451088734.db2.gz NYQQUVOOOGQZGR-WCVJEAGWSA-N 2 2 334.464 1.368 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635552877 451050067 /nfs/dbraw/zinc/05/00/67/451050067.db2.gz VECYMCCBLBZURS-KRWDZBQOSA-N 3 2 347.507 1.633 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635552877 451050071 /nfs/dbraw/zinc/05/00/71/451050071.db2.gz VECYMCCBLBZURS-KRWDZBQOSA-N 3 2 347.507 1.633 20 0 EDADLP Cc1cc(NCCNC(=O)NCC[C@H]2CC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627074208 451112778 /nfs/dbraw/zinc/11/27/78/451112778.db2.gz SKXXHRROCYKEBR-CQSZACIVSA-N 2 2 334.468 1.619 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)COc2ccccc2O1 ZINC000628063122 451113987 /nfs/dbraw/zinc/11/39/87/451113987.db2.gz ZULPTAKRRTWRBR-GOSISDBHSA-N 2 2 335.448 1.216 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)COc2ccccc2O1 ZINC000628063122 451113993 /nfs/dbraw/zinc/11/39/93/451113993.db2.gz ZULPTAKRRTWRBR-GOSISDBHSA-N 2 2 335.448 1.216 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627079924 451114426 /nfs/dbraw/zinc/11/44/26/451114426.db2.gz LMMTYQHJHDWLOD-DLBZAZTESA-N 2 2 349.479 1.099 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627079924 451114434 /nfs/dbraw/zinc/11/44/34/451114434.db2.gz LMMTYQHJHDWLOD-DLBZAZTESA-N 2 2 349.479 1.099 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cn1 ZINC000622298963 451122847 /nfs/dbraw/zinc/12/28/47/451122847.db2.gz DEAIBSLEJJBEJH-UHFFFAOYSA-N 2 2 327.432 1.649 20 0 EDADLP C[N@@H+]1C[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000625035665 451124510 /nfs/dbraw/zinc/12/45/10/451124510.db2.gz MFDZIBUHFPANHS-MSOLQXFVSA-N 2 2 345.487 1.559 20 0 EDADLP C[N@H+]1C[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000625035665 451124513 /nfs/dbraw/zinc/12/45/13/451124513.db2.gz MFDZIBUHFPANHS-MSOLQXFVSA-N 2 2 345.487 1.559 20 0 EDADLP C[NH+]1C[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000625035665 451124517 /nfs/dbraw/zinc/12/45/17/451124517.db2.gz MFDZIBUHFPANHS-MSOLQXFVSA-N 2 2 345.487 1.559 20 0 EDADLP C[NH+]1C[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000625035665 451124519 /nfs/dbraw/zinc/12/45/19/451124519.db2.gz MFDZIBUHFPANHS-MSOLQXFVSA-N 2 2 345.487 1.559 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000627126813 451140179 /nfs/dbraw/zinc/14/01/79/451140179.db2.gz LXZABQQSYKEXFR-INIZCTEOSA-N 2 2 336.480 1.025 20 0 EDADLP [NH3+]CCCOCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000627207562 451186869 /nfs/dbraw/zinc/18/68/69/451186869.db2.gz BCYYPJMLNFBOEG-YWEYNIOJSA-N 2 2 346.475 1.392 20 0 EDADLP CC(C)C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)n1cc[nH+]c1 ZINC000635711243 451190049 /nfs/dbraw/zinc/19/00/49/451190049.db2.gz PUAZIKDVMOUSHZ-DLBZAZTESA-N 2 2 336.480 1.823 20 0 EDADLP CC(C)C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)n1cc[nH+]c1 ZINC000635711243 451190050 /nfs/dbraw/zinc/19/00/50/451190050.db2.gz PUAZIKDVMOUSHZ-DLBZAZTESA-N 2 2 336.480 1.823 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000627248385 451207984 /nfs/dbraw/zinc/20/79/84/451207984.db2.gz DFVYAPXMGWIUPI-GDBMZVCRSA-N 2 2 332.448 1.445 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249213 451208110 /nfs/dbraw/zinc/20/81/10/451208110.db2.gz YAUCJJJSFUXYCR-MRXNPFEDSA-N 2 2 331.464 1.691 20 0 EDADLP CCC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[N@@H+]1CCOC ZINC000635751935 451219399 /nfs/dbraw/zinc/21/93/99/451219399.db2.gz FQXCKVSZKICFGU-MRXNPFEDSA-N 2 2 336.480 1.966 20 0 EDADLP CCC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[N@H+]1CCOC ZINC000635751935 451219403 /nfs/dbraw/zinc/21/94/03/451219403.db2.gz FQXCKVSZKICFGU-MRXNPFEDSA-N 2 2 336.480 1.966 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCc4cccnc43)c2)CC1 ZINC000634194893 451232275 /nfs/dbraw/zinc/23/22/75/451232275.db2.gz XJWXUPAQMSNEIQ-INIZCTEOSA-N 2 2 337.427 1.897 20 0 EDADLP C[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N1CC[NH2+]CC1=O ZINC000638098652 451263165 /nfs/dbraw/zinc/26/31/65/451263165.db2.gz CAJXCJQXFFXWSL-LSDHHAIUSA-N 2 2 346.475 1.052 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@@]2(C)C[NH2+]CCO2)c1)[NH+]1CCOCC1 ZINC000638100709 451266355 /nfs/dbraw/zinc/26/63/55/451266355.db2.gz MQGBAUFMIIMVEE-RDTXWAMCSA-N 2 2 333.432 1.397 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629150 451366916 /nfs/dbraw/zinc/36/69/16/451366916.db2.gz GTECOSRSPAOVPU-RBSFLKMASA-N 2 2 333.480 1.864 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000638273206 451392392 /nfs/dbraw/zinc/39/23/92/451392392.db2.gz ZAJRRDPSZIKTLH-IBGZPJMESA-N 2 2 346.519 1.779 20 0 EDADLP CN(C)c1ccc(CNC(=O)Nc2cc(C[NH+](C)C)ccn2)c[nH+]1 ZINC000640556755 451404385 /nfs/dbraw/zinc/40/43/85/451404385.db2.gz GAWCBFFMLLSGNA-UHFFFAOYSA-N 2 2 328.420 1.926 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640558735 451405023 /nfs/dbraw/zinc/40/50/23/451405023.db2.gz GVTWCTGHTUQPJU-UHFFFAOYSA-N 2 2 328.420 1.926 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640571344 451416532 /nfs/dbraw/zinc/41/65/32/451416532.db2.gz MVFLSUAOBNTDNR-HNNXBMFYSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640571344 451416537 /nfs/dbraw/zinc/41/65/37/451416537.db2.gz MVFLSUAOBNTDNR-HNNXBMFYSA-N 2 2 348.495 1.291 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3cnn(CC[NH+](C)C)c3)cn2c1 ZINC000630819355 451419658 /nfs/dbraw/zinc/41/96/58/451419658.db2.gz FLAXRBWKSBWMDA-UHFFFAOYSA-N 2 2 326.404 1.331 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638370238 451467341 /nfs/dbraw/zinc/46/73/41/451467341.db2.gz ATYFDTQQEJAPEX-CHWSQXEVSA-N 2 2 329.466 1.385 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000628911891 451471157 /nfs/dbraw/zinc/47/11/57/451471157.db2.gz CFVICCFAOQEERI-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000628911891 451471162 /nfs/dbraw/zinc/47/11/62/451471162.db2.gz CFVICCFAOQEERI-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1C(C)(C)C ZINC000640629155 451475774 /nfs/dbraw/zinc/47/57/74/451475774.db2.gz SQMZLTPBQXETNJ-CQSZACIVSA-N 2 2 328.420 1.465 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1C(C)(C)C ZINC000640629155 451475780 /nfs/dbraw/zinc/47/57/80/451475780.db2.gz SQMZLTPBQXETNJ-CQSZACIVSA-N 2 2 328.420 1.465 20 0 EDADLP O[C@]1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634711953 451491671 /nfs/dbraw/zinc/49/16/71/451491671.db2.gz XCNXAHQPTCHOBI-MJGOQNOKSA-N 3 2 326.444 1.425 20 0 EDADLP O[C@]1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711953 451491673 /nfs/dbraw/zinc/49/16/73/451491673.db2.gz XCNXAHQPTCHOBI-MJGOQNOKSA-N 3 2 326.444 1.425 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000638420647 451505312 /nfs/dbraw/zinc/50/53/12/451505312.db2.gz OXPPVJDHIVSEET-OAHLLOKOSA-N 2 2 329.448 1.809 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000638420647 451505315 /nfs/dbraw/zinc/50/53/15/451505315.db2.gz OXPPVJDHIVSEET-OAHLLOKOSA-N 2 2 329.448 1.809 20 0 EDADLP CCC(O)(CC)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636792299 451513618 /nfs/dbraw/zinc/51/36/18/451513618.db2.gz SNWUSYUKUNLWID-HNNXBMFYSA-N 2 2 340.512 1.347 20 0 EDADLP CCC(O)(CC)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636792299 451513622 /nfs/dbraw/zinc/51/36/22/451513622.db2.gz SNWUSYUKUNLWID-HNNXBMFYSA-N 2 2 340.512 1.347 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000638490323 451542742 /nfs/dbraw/zinc/54/27/42/451542742.db2.gz VEXUQQRFVHSSGC-SFHVURJKSA-N 2 2 331.460 1.589 20 0 EDADLP COCCc1ncc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000631035579 451544586 /nfs/dbraw/zinc/54/45/86/451544586.db2.gz RPZRVLQDJSTTQG-AWEZNQCLSA-N 2 2 327.494 1.778 20 0 EDADLP COCCc1ncc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000631035579 451544591 /nfs/dbraw/zinc/54/45/91/451544591.db2.gz RPZRVLQDJSTTQG-AWEZNQCLSA-N 2 2 327.494 1.778 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631052853 451556849 /nfs/dbraw/zinc/55/68/49/451556849.db2.gz TUUHOSDORZDWTB-GOSISDBHSA-N 3 2 333.476 1.581 20 0 EDADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631052853 451556855 /nfs/dbraw/zinc/55/68/55/451556855.db2.gz TUUHOSDORZDWTB-GOSISDBHSA-N 3 2 333.476 1.581 20 0 EDADLP COC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000631099797 451582771 /nfs/dbraw/zinc/58/27/71/451582771.db2.gz NGIWXQPBJDDYGL-LJQANCHMSA-N 2 2 334.460 1.912 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638613451 451607108 /nfs/dbraw/zinc/60/71/08/451607108.db2.gz WYBNUUBDTMLYBA-HZPDHXFCSA-N 2 2 337.851 1.409 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638613451 451607111 /nfs/dbraw/zinc/60/71/11/451607111.db2.gz WYBNUUBDTMLYBA-HZPDHXFCSA-N 2 2 337.851 1.409 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638641627 451626598 /nfs/dbraw/zinc/62/65/98/451626598.db2.gz GAHLICCRWHGHLC-VYDXJSESSA-N 2 2 348.466 1.593 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000631230628 451652737 /nfs/dbraw/zinc/65/27/37/451652737.db2.gz ZMVGSHSCDLCZKD-ZBFHGGJFSA-N 2 2 325.478 1.178 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000631230628 451652739 /nfs/dbraw/zinc/65/27/39/451652739.db2.gz ZMVGSHSCDLCZKD-ZBFHGGJFSA-N 2 2 325.478 1.178 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637007058 451675817 /nfs/dbraw/zinc/67/58/17/451675817.db2.gz FIKOTTNXZMKQQZ-HNNXBMFYSA-N 2 2 340.431 1.419 20 0 EDADLP COc1cc[nH+]c(Cn2cc(C[C@@H]([NH3+])c3ccccc3)nn2)c1OC ZINC000640941996 451698769 /nfs/dbraw/zinc/69/87/69/451698769.db2.gz KXUZBJPQCAPDNZ-OAHLLOKOSA-N 2 2 339.399 1.981 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637107797 451726142 /nfs/dbraw/zinc/72/61/42/451726142.db2.gz REGMSQYZSPVBQA-IRXDYDNUSA-N 2 2 339.443 1.629 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637107797 451726144 /nfs/dbraw/zinc/72/61/44/451726144.db2.gz REGMSQYZSPVBQA-IRXDYDNUSA-N 2 2 339.443 1.629 20 0 EDADLP CC(C)Cn1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cn1 ZINC000638984242 451746184 /nfs/dbraw/zinc/74/61/84/451746184.db2.gz LIKCJDHAGWBWEG-UHFFFAOYSA-N 2 2 328.420 1.596 20 0 EDADLP COCc1cccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638986935 451747277 /nfs/dbraw/zinc/74/72/77/451747277.db2.gz IMNSVTVXTXTVRZ-UHFFFAOYSA-N 2 2 326.400 1.890 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638990618 451748966 /nfs/dbraw/zinc/74/89/66/451748966.db2.gz MDZVZNCGQYPOGE-YOEHRIQHSA-N 2 2 332.473 1.251 20 0 EDADLP [NH3+]C1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCCC1 ZINC000638990848 451748998 /nfs/dbraw/zinc/74/89/98/451748998.db2.gz RJMLCBKVEMYVDI-UHFFFAOYSA-N 2 2 334.489 1.913 20 0 EDADLP C[NH+]1CCN(Cc2cn(Cc3[nH+]ccn3-c3ccccc3)nn2)CC1 ZINC000641130857 451757870 /nfs/dbraw/zinc/75/78/70/451757870.db2.gz XEGPEALRAMKVRJ-UHFFFAOYSA-N 2 2 337.431 1.260 20 0 EDADLP [NH3+][C@@H](c1cn(Cc2[nH+]ccn2-c2ccccc2)nn1)C1CCOCC1 ZINC000641130744 451757984 /nfs/dbraw/zinc/75/79/84/451757984.db2.gz VDBXPKQIMFAWJC-GOSISDBHSA-N 2 2 338.415 1.939 20 0 EDADLP CN(C)c1ccc(Cn2cc(COc3ccccc3C[NH3+])nn2)c[nH+]1 ZINC000641178613 451770442 /nfs/dbraw/zinc/77/04/42/451770442.db2.gz ZXCWTNADHSOTQU-UHFFFAOYSA-N 2 2 338.415 1.825 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000639165107 451782788 /nfs/dbraw/zinc/78/27/88/451782788.db2.gz CXTBNFLQXUOFNU-AWEZNQCLSA-N 2 2 331.526 1.701 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000639165107 451782791 /nfs/dbraw/zinc/78/27/91/451782791.db2.gz CXTBNFLQXUOFNU-AWEZNQCLSA-N 2 2 331.526 1.701 20 0 EDADLP CC[N@H+](C)C[C@@H](O)Cn1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641223974 451789136 /nfs/dbraw/zinc/78/91/36/451789136.db2.gz VYXGJBAONXMMMU-MRXNPFEDSA-N 2 2 342.447 1.606 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)Cn1cc(Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641223974 451789138 /nfs/dbraw/zinc/78/91/38/451789138.db2.gz VYXGJBAONXMMMU-MRXNPFEDSA-N 2 2 342.447 1.606 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000641316989 451839976 /nfs/dbraw/zinc/83/99/76/451839976.db2.gz XHNHEPIMGKHQNO-MRXNPFEDSA-N 2 2 349.500 1.533 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000641316989 451839982 /nfs/dbraw/zinc/83/99/82/451839982.db2.gz XHNHEPIMGKHQNO-MRXNPFEDSA-N 2 2 349.500 1.533 20 0 EDADLP C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)[C@H]1C[NH3+] ZINC000646772713 451831234 /nfs/dbraw/zinc/83/12/34/451831234.db2.gz VRPZXBQPRWPYDH-HOCLYGCPSA-N 2 2 333.480 1.218 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1C ZINC000644562283 451863520 /nfs/dbraw/zinc/86/35/20/451863520.db2.gz HRQSSNHODBCGHH-QGZVFWFLSA-N 2 2 346.475 1.941 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000639498613 451904943 /nfs/dbraw/zinc/90/49/43/451904943.db2.gz XWNUXVUNMKLMBK-KURKYZTESA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000639498613 451904950 /nfs/dbraw/zinc/90/49/50/451904950.db2.gz XWNUXVUNMKLMBK-KURKYZTESA-N 2 2 345.487 1.906 20 0 EDADLP COC[C@@]1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCC[NH2+]1 ZINC000649278139 451949322 /nfs/dbraw/zinc/94/93/22/451949322.db2.gz NSYMRRHWYDDZBU-MRXNPFEDSA-N 2 2 338.477 1.836 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)CC2 ZINC000651568893 451923480 /nfs/dbraw/zinc/92/34/80/451923480.db2.gz AWXZVOJXXBRINZ-CABCVRRESA-N 2 2 325.416 1.544 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641410113 451948559 /nfs/dbraw/zinc/94/85/59/451948559.db2.gz RBZLQKCFHACINJ-KBPBESRZSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641410113 451948565 /nfs/dbraw/zinc/94/85/65/451948565.db2.gz RBZLQKCFHACINJ-KBPBESRZSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@H]1[C@H](C)[NH+](C)CCN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641410113 451948571 /nfs/dbraw/zinc/94/85/71/451948571.db2.gz RBZLQKCFHACINJ-KBPBESRZSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@H]1[C@H](C)[NH+](C)CCN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641410113 451948576 /nfs/dbraw/zinc/94/85/76/451948576.db2.gz RBZLQKCFHACINJ-KBPBESRZSA-N 2 2 337.489 1.388 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000649285736 451958810 /nfs/dbraw/zinc/95/88/10/451958810.db2.gz QCVHOTNEJMJOTF-LSDHHAIUSA-N 2 2 344.459 1.530 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccn2)[C@H](C)C1 ZINC000639588598 451959279 /nfs/dbraw/zinc/95/92/79/451959279.db2.gz DQKNDMGOOCLQJN-CVEARBPZSA-N 2 2 334.464 1.747 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccn2)[C@H](C)C1 ZINC000639588598 451959282 /nfs/dbraw/zinc/95/92/82/451959282.db2.gz DQKNDMGOOCLQJN-CVEARBPZSA-N 2 2 334.464 1.747 20 0 EDADLP O[C@@]1(C[N@@H+]2CCO[C@]3(CCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639589478 451959462 /nfs/dbraw/zinc/95/94/62/451959462.db2.gz PRBHLPFBLGZPFR-RBUKOAKNSA-N 2 2 332.444 1.115 20 0 EDADLP O[C@@]1(C[N@H+]2CCO[C@]3(CCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639589478 451959465 /nfs/dbraw/zinc/95/94/65/451959465.db2.gz PRBHLPFBLGZPFR-RBUKOAKNSA-N 2 2 332.444 1.115 20 0 EDADLP O[C@@]1(C[NH+]2CCO[C@]3(CCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639589478 451959473 /nfs/dbraw/zinc/95/94/73/451959473.db2.gz PRBHLPFBLGZPFR-RBUKOAKNSA-N 2 2 332.444 1.115 20 0 EDADLP CC1(OCC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[NH2+]C1 ZINC000649289488 451964827 /nfs/dbraw/zinc/96/48/27/451964827.db2.gz XQMLCTXISZOZHS-UHFFFAOYSA-N 2 2 332.448 1.457 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](C[C@H]3CCCCC3(F)F)CCO2)CC1 ZINC000649296152 451973372 /nfs/dbraw/zinc/97/33/72/451973372.db2.gz ILITWUNBIRLKRD-HZPDHXFCSA-N 2 2 331.451 1.760 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642904575 451982692 /nfs/dbraw/zinc/98/26/92/451982692.db2.gz ZCUNJGWJOVDDRM-LSDHHAIUSA-N 2 2 347.463 1.215 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCc3noc4ccccc43)CCO2)CC1 ZINC000653551188 452013361 /nfs/dbraw/zinc/01/33/61/452013361.db2.gz DYHGPEITHHYYKY-INIZCTEOSA-N 2 2 344.459 1.319 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCc3noc4ccccc43)CCO2)CC1 ZINC000653551188 452013368 /nfs/dbraw/zinc/01/33/68/452013368.db2.gz DYHGPEITHHYYKY-INIZCTEOSA-N 2 2 344.459 1.319 20 0 EDADLP C[N@@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C[C@H]1Cc1ccccc1 ZINC000641484222 452016478 /nfs/dbraw/zinc/01/64/78/452016478.db2.gz LJTVIKRDIMWDNV-QGZVFWFLSA-N 2 2 348.472 1.072 20 0 EDADLP C[N@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C[C@H]1Cc1ccccc1 ZINC000641484222 452016483 /nfs/dbraw/zinc/01/64/83/452016483.db2.gz LJTVIKRDIMWDNV-QGZVFWFLSA-N 2 2 348.472 1.072 20 0 EDADLP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000643080963 452035976 /nfs/dbraw/zinc/03/59/76/452035976.db2.gz PHGINEHMUHFIJO-KRWDZBQOSA-N 2 2 342.447 1.575 20 0 EDADLP CCc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000643080963 452035984 /nfs/dbraw/zinc/03/59/84/452035984.db2.gz PHGINEHMUHFIJO-KRWDZBQOSA-N 2 2 342.447 1.575 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000653606570 452038391 /nfs/dbraw/zinc/03/83/91/452038391.db2.gz REJPWQGSQRUSQW-CRAIPNDOSA-N 2 2 332.448 1.462 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000653606570 452038396 /nfs/dbraw/zinc/03/83/96/452038396.db2.gz REJPWQGSQRUSQW-CRAIPNDOSA-N 2 2 332.448 1.462 20 0 EDADLP C[C@H](CC(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1)n1cc[nH+]c1 ZINC000651732369 452043402 /nfs/dbraw/zinc/04/34/02/452043402.db2.gz SQVUQVCTFDQZAA-ZACQAIPSSA-N 2 2 333.480 1.509 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641540838 452072535 /nfs/dbraw/zinc/07/25/35/452072535.db2.gz IVXUSGLONGHRGB-OAHLLOKOSA-N 2 2 337.489 1.389 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641540838 452072542 /nfs/dbraw/zinc/07/25/42/452072542.db2.gz IVXUSGLONGHRGB-OAHLLOKOSA-N 2 2 337.489 1.389 20 0 EDADLP CN(C[C@H]1CCC[NH+]1C)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641540838 452072547 /nfs/dbraw/zinc/07/25/47/452072547.db2.gz IVXUSGLONGHRGB-OAHLLOKOSA-N 2 2 337.489 1.389 20 0 EDADLP CN(C[C@H]1CCC[NH+]1C)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641540838 452072554 /nfs/dbraw/zinc/07/25/54/452072554.db2.gz IVXUSGLONGHRGB-OAHLLOKOSA-N 2 2 337.489 1.389 20 0 EDADLP c1ccc(N2CC[NH+](CCc3nc([C@@H]4CCC[NH2+]4)no3)CC2)nc1 ZINC000647151500 452090817 /nfs/dbraw/zinc/09/08/17/452090817.db2.gz ICRAPRQHSGHYFI-AWEZNQCLSA-N 2 2 328.420 1.254 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3nnnn3C3CC3)CC2)CC1 ZINC000643255238 452099391 /nfs/dbraw/zinc/09/93/91/452099391.db2.gz ZXJJJZFNAAEBMI-OAHLLOKOSA-N 2 2 347.511 1.561 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3nnnn3C3CC3)CC2)CC1 ZINC000643255238 452099395 /nfs/dbraw/zinc/09/93/95/452099395.db2.gz ZXJJJZFNAAEBMI-OAHLLOKOSA-N 2 2 347.511 1.561 20 0 EDADLP Nc1ccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000637827864 452103913 /nfs/dbraw/zinc/10/39/13/452103913.db2.gz BLBSWSRYKNOSMM-UHFFFAOYSA-N 3 2 339.443 1.986 20 0 EDADLP CC1CCC(N(C)C(=O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)CC1 ZINC000639765573 452106344 /nfs/dbraw/zinc/10/63/44/452106344.db2.gz KAYQMQDMGCTNCN-HTWSVDAQSA-N 2 2 325.497 1.412 20 0 EDADLP CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)CC1 ZINC000639765573 452106351 /nfs/dbraw/zinc/10/63/51/452106351.db2.gz KAYQMQDMGCTNCN-HTWSVDAQSA-N 2 2 325.497 1.412 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCC[NH+]3Cc4ccccc4C3)[C@@H]2C1 ZINC000645003874 452108648 /nfs/dbraw/zinc/10/86/48/452108648.db2.gz QOMJOSXHWCYQHK-ZWKOTPCHSA-N 2 2 328.460 1.738 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCC[NH+]3Cc4ccccc4C3)[C@@H]2C1 ZINC000645003874 452108654 /nfs/dbraw/zinc/10/86/54/452108654.db2.gz QOMJOSXHWCYQHK-ZWKOTPCHSA-N 2 2 328.460 1.738 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000639767542 452109710 /nfs/dbraw/zinc/10/97/10/452109710.db2.gz UWSNXEWJKBGPBA-ZHALLVOQSA-N 2 2 337.508 1.556 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000639767542 452109713 /nfs/dbraw/zinc/10/97/13/452109713.db2.gz UWSNXEWJKBGPBA-ZHALLVOQSA-N 2 2 337.508 1.556 20 0 EDADLP CC(C)Cn1nccc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000647181932 452110367 /nfs/dbraw/zinc/11/03/67/452110367.db2.gz ZEDKZOZNVKLVFF-UHFFFAOYSA-N 2 2 335.496 1.571 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc4n(n3)CCCC4)cn2)CC1 ZINC000649520690 452122844 /nfs/dbraw/zinc/12/28/44/452122844.db2.gz ZVGREZJGLYGJAU-UHFFFAOYSA-N 2 2 340.475 1.656 20 0 EDADLP Cc1ccc2cc(C[N@H+]3CCN(CC[NH+](C)C)C(=O)C3)ccc2n1 ZINC000651891065 452147930 /nfs/dbraw/zinc/14/79/30/452147930.db2.gz FLMGEONSBPOINX-UHFFFAOYSA-N 2 2 326.444 1.749 20 0 EDADLP Cc1ccc2cc(C[N@@H+]3CCN(CC[NH+](C)C)C(=O)C3)ccc2n1 ZINC000651891065 452147935 /nfs/dbraw/zinc/14/79/35/452147935.db2.gz FLMGEONSBPOINX-UHFFFAOYSA-N 2 2 326.444 1.749 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCCC[NH+]3CCOCC3)cn21 ZINC000645098181 452149857 /nfs/dbraw/zinc/14/98/57/452149857.db2.gz IAVBWISCSMSFEJ-UHFFFAOYSA-N 2 2 345.447 1.207 20 0 EDADLP Cc1cncc(CC[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000649589832 452157279 /nfs/dbraw/zinc/15/72/79/452157279.db2.gz CZDVQTSKLXNLRX-RDJZCZTQSA-N 2 2 346.454 1.605 20 0 EDADLP Cc1cncc(CC[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000649589832 452157282 /nfs/dbraw/zinc/15/72/82/452157282.db2.gz CZDVQTSKLXNLRX-RDJZCZTQSA-N 2 2 346.454 1.605 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649611673 452167492 /nfs/dbraw/zinc/16/74/92/452167492.db2.gz GAJZGIRMLRTRJI-MRXNPFEDSA-N 2 2 327.432 1.944 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000649611673 452167497 /nfs/dbraw/zinc/16/74/97/452167497.db2.gz GAJZGIRMLRTRJI-MRXNPFEDSA-N 2 2 327.432 1.944 20 0 EDADLP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000645209334 452211539 /nfs/dbraw/zinc/21/15/39/452211539.db2.gz YGSCVGHDGPBHBL-UHFFFAOYSA-N 2 2 348.476 1.037 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)no1 ZINC000641708691 452213385 /nfs/dbraw/zinc/21/33/85/452213385.db2.gz YTLBPKQIMZAENL-UHFFFAOYSA-N 2 2 331.420 1.258 20 0 EDADLP Cn1c2ccccc2[nH+]c1N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641719006 452217831 /nfs/dbraw/zinc/21/78/31/452217831.db2.gz ITCAURQFTBNJEW-INIZCTEOSA-N 2 2 343.475 1.782 20 0 EDADLP Cn1c2ccccc2[nH+]c1N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641719006 452217835 /nfs/dbraw/zinc/21/78/35/452217835.db2.gz ITCAURQFTBNJEW-INIZCTEOSA-N 2 2 343.475 1.782 20 0 EDADLP OCc1cc[nH+]c(NCc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000641761981 452241025 /nfs/dbraw/zinc/24/10/25/452241025.db2.gz AHKQGJMPDQLEAG-UHFFFAOYSA-N 2 2 343.427 1.897 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CCO1 ZINC000647507817 452244338 /nfs/dbraw/zinc/24/43/38/452244338.db2.gz YJDZEOWFIFKXTE-MFKMUULPSA-N 2 2 339.237 1.645 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)n1C ZINC000657437638 452247629 /nfs/dbraw/zinc/24/76/29/452247629.db2.gz WFKMPKJUQUDMHY-UHFFFAOYSA-N 2 2 334.445 1.558 20 0 EDADLP O=C1[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CCN1Cc1ccc(F)cc1 ZINC000657446716 452255172 /nfs/dbraw/zinc/25/51/72/452255172.db2.gz LFPFKOPHBJWJFH-MRXNPFEDSA-N 2 2 328.391 1.859 20 0 EDADLP CC[C@H](C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)[NH+](C)C ZINC000665700867 452262299 /nfs/dbraw/zinc/26/22/99/452262299.db2.gz HTJJILSVXQDIHK-MRXNPFEDSA-N 2 2 332.448 1.353 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000641787799 452263792 /nfs/dbraw/zinc/26/37/92/452263792.db2.gz PXSJGQUOHPDXDV-HKUYNNGSSA-N 3 2 338.540 1.103 20 0 EDADLP Fc1cccc(F)c1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789522 452267603 /nfs/dbraw/zinc/26/76/03/452267603.db2.gz HPKGFVXOFBDDOS-HNNXBMFYSA-N 2 2 339.430 1.851 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000659428549 452270933 /nfs/dbraw/zinc/27/09/33/452270933.db2.gz AQESVXWDRHWTAM-NVXWUHKLSA-N 2 2 334.464 1.275 20 0 EDADLP [NH3+]C1(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CCCC1 ZINC000659429351 452272705 /nfs/dbraw/zinc/27/27/05/452272705.db2.gz RDAXRVYPYKIZJD-KRWDZBQOSA-N 2 2 346.475 1.631 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(Cc3c[nH+]c(N)nc3N)CC2)c1 ZINC000638025654 452273528 /nfs/dbraw/zinc/27/35/28/452273528.db2.gz MQGSDDWWVDUSBZ-ZDUSSCGKSA-N 2 2 342.447 1.189 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000654137764 452280194 /nfs/dbraw/zinc/28/01/94/452280194.db2.gz LSXPHCASHDHGED-SJLPKXTDSA-N 2 2 330.476 1.989 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000654137764 452280204 /nfs/dbraw/zinc/28/02/04/452280204.db2.gz LSXPHCASHDHGED-SJLPKXTDSA-N 2 2 330.476 1.989 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](C4CCC4)C3)C2)CC1 ZINC000665717685 452280848 /nfs/dbraw/zinc/28/08/48/452280848.db2.gz SSJLIODEIRCPML-SJORKVTESA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](C4CCC4)C3)C2)CC1 ZINC000665717685 452280859 /nfs/dbraw/zinc/28/08/59/452280859.db2.gz SSJLIODEIRCPML-SJORKVTESA-N 2 2 334.508 1.987 20 0 EDADLP Cc1ncc([C@H](C)[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c(C)n1 ZINC000638055086 452336787 /nfs/dbraw/zinc/33/67/87/452336787.db2.gz ZIDXPMJVWWDGFJ-HFTRVMKXSA-N 2 2 347.507 1.491 20 0 EDADLP Cc1ncc([C@H](C)[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)c(C)n1 ZINC000638055086 452336795 /nfs/dbraw/zinc/33/67/95/452336795.db2.gz ZIDXPMJVWWDGFJ-HFTRVMKXSA-N 2 2 347.507 1.491 20 0 EDADLP Cc1ncc([C@H](C)[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c(C)n1 ZINC000638055086 452336799 /nfs/dbraw/zinc/33/67/99/452336799.db2.gz ZIDXPMJVWWDGFJ-HFTRVMKXSA-N 2 2 347.507 1.491 20 0 EDADLP Cc1ncc([C@H](C)[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)c(C)n1 ZINC000638055086 452336808 /nfs/dbraw/zinc/33/68/08/452336808.db2.gz ZIDXPMJVWWDGFJ-HFTRVMKXSA-N 2 2 347.507 1.491 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)c[nH+]2)C[C@H](C)O1 ZINC000638061892 452355902 /nfs/dbraw/zinc/35/59/02/452355902.db2.gz NDVCYNIOSRBIPA-DVOMOZLQSA-N 2 2 330.432 1.359 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000638063651 452360718 /nfs/dbraw/zinc/36/07/18/452360718.db2.gz OEDVPIHHZZVCMA-APWZRJJASA-N 2 2 346.475 1.701 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661551257 452367679 /nfs/dbraw/zinc/36/76/79/452367679.db2.gz PULTUANXKTXKKG-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661551257 452367687 /nfs/dbraw/zinc/36/76/87/452367687.db2.gz PULTUANXKTXKKG-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP CO[C@@H]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000645397994 452370572 /nfs/dbraw/zinc/37/05/72/452370572.db2.gz DEXTWBZWGDBYDE-RYQLBKOJSA-N 2 2 337.508 1.819 20 0 EDADLP CO[C@@H]1CCC[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000645397994 452370587 /nfs/dbraw/zinc/37/05/87/452370587.db2.gz DEXTWBZWGDBYDE-RYQLBKOJSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@]1(C)CCCO1 ZINC000645400266 452372883 /nfs/dbraw/zinc/37/28/83/452372883.db2.gz NUTXNHRSKROUHV-VQIMIIECSA-N 2 2 346.475 1.668 20 0 EDADLP COC[C@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCC[NH2+]1 ZINC000638080406 452396685 /nfs/dbraw/zinc/39/66/85/452396685.db2.gz VDTBIABHUGTRFP-IBGZPJMESA-N 2 2 347.459 1.616 20 0 EDADLP C[C@H](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)[NH+](C)C ZINC000663659116 452400364 /nfs/dbraw/zinc/40/03/64/452400364.db2.gz QVSPEIUACMOQCK-SJLPKXTDSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659570340 452425774 /nfs/dbraw/zinc/42/57/74/452425774.db2.gz FNZXVOKALQMARW-OAHLLOKOSA-N 2 2 331.464 1.741 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2cnc(N3CCCC3=O)cn2)CC1 ZINC000663691559 452430255 /nfs/dbraw/zinc/43/02/55/452430255.db2.gz JAHUMLXGVLHJEK-UHFFFAOYSA-N 2 2 332.452 1.041 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661619603 452442511 /nfs/dbraw/zinc/44/25/11/452442511.db2.gz ASWJYBKNBCPYFI-BZUAXINKSA-N 2 2 346.475 1.067 20 0 EDADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647708869 452443087 /nfs/dbraw/zinc/44/30/87/452443087.db2.gz PAICXUKFAYBPGK-MSOLQXFVSA-N 2 2 340.427 1.213 20 0 EDADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647708869 452443093 /nfs/dbraw/zinc/44/30/93/452443093.db2.gz PAICXUKFAYBPGK-MSOLQXFVSA-N 2 2 340.427 1.213 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC1=CCCOC1 ZINC000661658136 452471725 /nfs/dbraw/zinc/47/17/25/452471725.db2.gz ZHQAVTBJNXAPFW-UHFFFAOYSA-N 2 2 349.500 1.671 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC1=CCCOC1 ZINC000661658136 452471734 /nfs/dbraw/zinc/47/17/34/452471734.db2.gz ZHQAVTBJNXAPFW-UHFFFAOYSA-N 2 2 349.500 1.671 20 0 EDADLP COc1cc2cc[nH+]c(NCCC[N@@H+]3CCNC(=O)C3)c2cc1OC ZINC000663742212 452474916 /nfs/dbraw/zinc/47/49/16/452474916.db2.gz FDWYLNONPFCAFI-UHFFFAOYSA-N 2 2 344.415 1.486 20 0 EDADLP COc1cc2cc[nH+]c(NCCC[N@H+]3CCNC(=O)C3)c2cc1OC ZINC000663742212 452474924 /nfs/dbraw/zinc/47/49/24/452474924.db2.gz FDWYLNONPFCAFI-UHFFFAOYSA-N 2 2 344.415 1.486 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000657800539 452536649 /nfs/dbraw/zinc/53/66/49/452536649.db2.gz HCEYOHUBLHVBFF-PMACEKPBSA-N 2 2 346.519 1.113 20 0 EDADLP COCC[N@H+]1CC[C@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000657800539 452536655 /nfs/dbraw/zinc/53/66/55/452536655.db2.gz HCEYOHUBLHVBFF-PMACEKPBSA-N 2 2 346.519 1.113 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000657800539 452536662 /nfs/dbraw/zinc/53/66/62/452536662.db2.gz HCEYOHUBLHVBFF-PMACEKPBSA-N 2 2 346.519 1.113 20 0 EDADLP COCC[NH+]1CC[C@H](NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000657800539 452536673 /nfs/dbraw/zinc/53/66/73/452536673.db2.gz HCEYOHUBLHVBFF-PMACEKPBSA-N 2 2 346.519 1.113 20 0 EDADLP CC(=O)Nc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652362242 452543636 /nfs/dbraw/zinc/54/36/36/452543636.db2.gz AWVHECYZWJAZFS-NWANDNLSSA-N 2 2 338.477 1.962 20 0 EDADLP CC(=O)Nc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652362242 452543644 /nfs/dbraw/zinc/54/36/44/452543644.db2.gz AWVHECYZWJAZFS-NWANDNLSSA-N 2 2 338.477 1.962 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655734036 452545878 /nfs/dbraw/zinc/54/58/78/452545878.db2.gz XVNDQRJEJNCDRQ-GUDVDZBRSA-N 3 2 337.508 1.207 20 0 EDADLP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814718 452546251 /nfs/dbraw/zinc/54/62/51/452546251.db2.gz AXJLTDNZMUCBBP-YJBOKZPZSA-N 2 2 337.508 1.914 20 0 EDADLP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814718 452546261 /nfs/dbraw/zinc/54/62/61/452546261.db2.gz AXJLTDNZMUCBBP-YJBOKZPZSA-N 2 2 337.508 1.914 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)C1 ZINC000652368956 452554694 /nfs/dbraw/zinc/55/46/94/452554694.db2.gz IVTMOVTXCQOXFW-UONOGXRCSA-N 2 2 335.452 1.233 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)C1 ZINC000652368956 452554705 /nfs/dbraw/zinc/55/47/05/452554705.db2.gz IVTMOVTXCQOXFW-UONOGXRCSA-N 2 2 335.452 1.233 20 0 EDADLP Cc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000652370952 452560402 /nfs/dbraw/zinc/56/04/02/452560402.db2.gz YFKBTOKJJNAWTR-QGZVFWFLSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1ccc(CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000652370952 452560411 /nfs/dbraw/zinc/56/04/11/452560411.db2.gz YFKBTOKJJNAWTR-QGZVFWFLSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)n(C)n1 ZINC000655761904 452563622 /nfs/dbraw/zinc/56/36/22/452563622.db2.gz QNOKKNAXNCIEDG-QZTJIDSGSA-N 2 2 347.507 1.540 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902834 452645052 /nfs/dbraw/zinc/64/50/52/452645052.db2.gz COSPUYBFNOXTLT-SJORKVTESA-N 2 2 325.497 1.629 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902834 452645064 /nfs/dbraw/zinc/64/50/64/452645064.db2.gz COSPUYBFNOXTLT-SJORKVTESA-N 2 2 325.497 1.629 20 0 EDADLP COc1ncc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)s1 ZINC000647925060 452661461 /nfs/dbraw/zinc/66/14/61/452661461.db2.gz IDFZRIDEKWYZBX-UHFFFAOYSA-N 2 2 333.461 1.588 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647939843 452681104 /nfs/dbraw/zinc/68/11/04/452681104.db2.gz CMOSMWHRHMLRFW-CVEARBPZSA-N 2 2 349.475 1.721 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647939843 452681117 /nfs/dbraw/zinc/68/11/17/452681117.db2.gz CMOSMWHRHMLRFW-CVEARBPZSA-N 2 2 349.475 1.721 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC000647950502 452694007 /nfs/dbraw/zinc/69/40/07/452694007.db2.gz WYFQGZBJLCWQFC-IAGOWNOFSA-N 2 2 330.476 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC000647950502 452694013 /nfs/dbraw/zinc/69/40/13/452694013.db2.gz WYFQGZBJLCWQFC-IAGOWNOFSA-N 2 2 330.476 1.814 20 0 EDADLP CN1C[C@H]([N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949321 452694681 /nfs/dbraw/zinc/69/46/81/452694681.db2.gz JDGQAJKLUHHCPJ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CN1C[C@H]([N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949321 452694688 /nfs/dbraw/zinc/69/46/88/452694688.db2.gz JDGQAJKLUHHCPJ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CN1C[C@H]([NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949321 452694693 /nfs/dbraw/zinc/69/46/93/452694693.db2.gz JDGQAJKLUHHCPJ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CN1C[C@H]([NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1=O ZINC000647949321 452694699 /nfs/dbraw/zinc/69/46/99/452694699.db2.gz JDGQAJKLUHHCPJ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957118 452700976 /nfs/dbraw/zinc/70/09/76/452700976.db2.gz SDIAJBCWGUGKCM-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957118 452700982 /nfs/dbraw/zinc/70/09/82/452700982.db2.gz SDIAJBCWGUGKCM-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP c1ccc2nc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cnc2c1 ZINC000659839673 452726788 /nfs/dbraw/zinc/72/67/88/452726788.db2.gz ZXLVRHHELSJAKJ-UHFFFAOYSA-N 2 2 325.460 1.843 20 0 EDADLP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658117332 452730912 /nfs/dbraw/zinc/73/09/12/452730912.db2.gz ZZYMQTMBHBSRNY-HPBDAGMYSA-N 2 2 326.481 1.395 20 0 EDADLP O=c1[nH]c(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)nc2ccccc21 ZINC000647991500 452733600 /nfs/dbraw/zinc/73/36/00/452733600.db2.gz CXIYUHYOZDGFER-CQSZACIVSA-N 2 2 327.432 1.063 20 0 EDADLP C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661982726 452736768 /nfs/dbraw/zinc/73/67/68/452736768.db2.gz GLCRHBKPGJTEHP-OAHLLOKOSA-N 2 2 335.492 1.763 20 0 EDADLP C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000661982726 452736778 /nfs/dbraw/zinc/73/67/78/452736778.db2.gz GLCRHBKPGJTEHP-OAHLLOKOSA-N 2 2 335.492 1.763 20 0 EDADLP C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658143998 452749516 /nfs/dbraw/zinc/74/95/16/452749516.db2.gz FVLWMUWCQDAHQQ-YJBOKZPZSA-N 2 2 331.416 1.691 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccnn1-c1ccccn1 ZINC000648013437 452754241 /nfs/dbraw/zinc/75/42/41/452754241.db2.gz FZSONASCPIRNGS-NXHRZFHOSA-N 2 2 341.459 1.951 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccnn1-c1ccccn1 ZINC000648013437 452754249 /nfs/dbraw/zinc/75/42/49/452754249.db2.gz FZSONASCPIRNGS-NXHRZFHOSA-N 2 2 341.459 1.951 20 0 EDADLP Cn1c[nH+]c(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000659913436 452803850 /nfs/dbraw/zinc/80/38/50/452803850.db2.gz ZRSAQLNWOLPJQK-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP Cn1c[nH+]c(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000659913436 452803855 /nfs/dbraw/zinc/80/38/55/452803855.db2.gz ZRSAQLNWOLPJQK-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)cc1 ZINC000659924271 452817336 /nfs/dbraw/zinc/81/73/36/452817336.db2.gz DUPCSELZTMPOFW-WMZOPIPTSA-N 2 2 331.460 1.680 20 0 EDADLP COc1ccc(CN2CC[C@H]([N@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)cc1 ZINC000659924271 452817344 /nfs/dbraw/zinc/81/73/44/452817344.db2.gz DUPCSELZTMPOFW-WMZOPIPTSA-N 2 2 331.460 1.680 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)CC)CC2)[C@H](C)C1 ZINC000658298474 452836206 /nfs/dbraw/zinc/83/62/06/452836206.db2.gz HIJWHSIOUBIZQD-CVEARBPZSA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)CC)CC2)[C@H](C)C1 ZINC000658298474 452836211 /nfs/dbraw/zinc/83/62/11/452836211.db2.gz HIJWHSIOUBIZQD-CVEARBPZSA-N 2 2 346.537 1.680 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000662100004 452842916 /nfs/dbraw/zinc/84/29/16/452842916.db2.gz NFZVEWGMOKDHFC-LSDHHAIUSA-N 2 2 337.468 1.623 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(O)c(F)c1 ZINC000664191711 452863127 /nfs/dbraw/zinc/86/31/27/452863127.db2.gz BDYAXIHCQKMVHN-UHFFFAOYSA-N 2 2 326.416 1.214 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(O)c(F)c1 ZINC000664191711 452863135 /nfs/dbraw/zinc/86/31/35/452863135.db2.gz BDYAXIHCQKMVHN-UHFFFAOYSA-N 2 2 326.416 1.214 20 0 EDADLP CCN1CC[NH+](Cc2ccc(CNC(=O)C3([NH+](C)C)CC3)cc2)CC1 ZINC000666431606 452865658 /nfs/dbraw/zinc/86/56/58/452865658.db2.gz XEWZKIVOSTUXFX-UHFFFAOYSA-N 2 2 344.503 1.535 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)c1 ZINC000643961960 452872754 /nfs/dbraw/zinc/87/27/54/452872754.db2.gz KFNBGZRZCNIJBS-KURKYZTESA-N 2 2 331.460 1.466 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)c1 ZINC000643961960 452872762 /nfs/dbraw/zinc/87/27/62/452872762.db2.gz KFNBGZRZCNIJBS-KURKYZTESA-N 2 2 331.460 1.466 20 0 EDADLP O[C@@H](COCc1cccs1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153588 452889907 /nfs/dbraw/zinc/88/99/07/452889907.db2.gz ADTIYJZDSSVSHL-HZPDHXFCSA-N 2 2 340.489 1.157 20 0 EDADLP O[C@@H](COCc1cccs1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153588 452889918 /nfs/dbraw/zinc/88/99/18/452889918.db2.gz ADTIYJZDSSVSHL-HZPDHXFCSA-N 2 2 340.489 1.157 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000664217294 452892576 /nfs/dbraw/zinc/89/25/76/452892576.db2.gz CXAGOWCMMDJUFT-PKOBYXMFSA-N 2 2 332.492 1.899 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000664217294 452892580 /nfs/dbraw/zinc/89/25/80/452892580.db2.gz CXAGOWCMMDJUFT-PKOBYXMFSA-N 2 2 332.492 1.899 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2F)CC1 ZINC000662161667 452900868 /nfs/dbraw/zinc/90/08/68/452900868.db2.gz WLAVNBNNCSIJKW-MRXNPFEDSA-N 2 2 341.402 1.188 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000656184011 452945610 /nfs/dbraw/zinc/94/56/10/452945610.db2.gz AKDWDHVRQZARGC-GASCZTMLSA-N 2 2 349.442 1.514 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000656184011 452945618 /nfs/dbraw/zinc/94/56/18/452945618.db2.gz AKDWDHVRQZARGC-GASCZTMLSA-N 2 2 349.442 1.514 20 0 EDADLP c1ccc(-c2noc(C3CC[NH+](C[C@H]4C[NH2+]CCO4)CC3)n2)cc1 ZINC000662257428 452986242 /nfs/dbraw/zinc/98/62/42/452986242.db2.gz OHSYQYWRHZFOHF-MRXNPFEDSA-N 2 2 328.416 1.904 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658466520 453002711 /nfs/dbraw/zinc/00/27/11/453002711.db2.gz BXLROOUMMRQZNJ-CQSZACIVSA-N 2 2 329.404 1.216 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658466520 453002721 /nfs/dbraw/zinc/00/27/21/453002721.db2.gz BXLROOUMMRQZNJ-CQSZACIVSA-N 2 2 329.404 1.216 20 0 EDADLP CN(CC1C[NH+](C)C1)c1nc(N(C)CC2C[NH+](C)C2)c(C2CC2)c[nH+]1 ZINC000664330190 453005114 /nfs/dbraw/zinc/00/51/14/453005114.db2.gz KADYPWVIGBIAAA-UHFFFAOYSA-N 3 2 344.507 1.350 20 0 EDADLP c1ccc(-n2nnnc2C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291899 453013750 /nfs/dbraw/zinc/01/37/50/453013750.db2.gz YZFHZXYUVSHQSM-INIZCTEOSA-N 2 2 326.448 1.874 20 0 EDADLP CC1CCC(NC(=O)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662318770 453035467 /nfs/dbraw/zinc/03/54/67/453035467.db2.gz GGOJZIXJPNTCBK-JCYILVPMSA-N 2 2 325.497 1.724 20 0 EDADLP CC1CCC(NC(=O)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662318770 453035475 /nfs/dbraw/zinc/03/54/75/453035475.db2.gz GGOJZIXJPNTCBK-JCYILVPMSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318820 453036341 /nfs/dbraw/zinc/03/63/41/453036341.db2.gz HDDSKQQBSPLSPN-RDJZCZTQSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318820 453036347 /nfs/dbraw/zinc/03/63/47/453036347.db2.gz HDDSKQQBSPLSPN-RDJZCZTQSA-N 2 2 325.497 1.866 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)CCO1 ZINC000662319826 453036357 /nfs/dbraw/zinc/03/63/57/453036357.db2.gz NGCCHMDMJLLMIV-GOSISDBHSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)CCO1 ZINC000662319826 453036362 /nfs/dbraw/zinc/03/63/62/453036362.db2.gz NGCCHMDMJLLMIV-GOSISDBHSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000652883285 453041474 /nfs/dbraw/zinc/04/14/74/453041474.db2.gz KXTDTMGXWKNKPO-LJQANCHMSA-N 2 2 344.503 1.009 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000652883285 453041484 /nfs/dbraw/zinc/04/14/84/453041484.db2.gz KXTDTMGXWKNKPO-LJQANCHMSA-N 2 2 344.503 1.009 20 0 EDADLP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662353910 453069117 /nfs/dbraw/zinc/06/91/17/453069117.db2.gz QNAQGMVQCWFTKR-CYBMUJFWSA-N 2 2 345.472 1.506 20 0 EDADLP C[C@@H](COCC1CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000650877273 453077806 /nfs/dbraw/zinc/07/78/06/453077806.db2.gz QRUGNAXQCVADPS-GOEBONIOSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](COCC1CC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000650877273 453077814 /nfs/dbraw/zinc/07/78/14/453077814.db2.gz QRUGNAXQCVADPS-GOEBONIOSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)(C)n1nnc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC000660147004 453078468 /nfs/dbraw/zinc/07/84/68/453078468.db2.gz BVFIGQISESIOQG-UHFFFAOYSA-N 2 2 329.452 1.942 20 0 EDADLP CC(C)[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)[NH+]1CCOCC1 ZINC000662368351 453080553 /nfs/dbraw/zinc/08/05/53/453080553.db2.gz PYJBYSDZFUCYHQ-CQSZACIVSA-N 2 2 337.489 1.480 20 0 EDADLP Cc1ccnc(-c2noc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)n2)c1 ZINC000646106749 453112659 /nfs/dbraw/zinc/11/26/59/453112659.db2.gz PWVHUNVAVQSJAE-UHFFFAOYSA-N 2 2 343.431 1.737 20 0 EDADLP Cc1ccnc(-c2noc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)n2)c1 ZINC000646106749 453112664 /nfs/dbraw/zinc/11/26/64/453112664.db2.gz PWVHUNVAVQSJAE-UHFFFAOYSA-N 2 2 343.431 1.737 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000662408124 453119456 /nfs/dbraw/zinc/11/94/56/453119456.db2.gz LLYGPUFJKXHODW-KRWDZBQOSA-N 2 2 334.464 1.125 20 0 EDADLP CN1CC(=O)N(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1=O ZINC000660244403 453151056 /nfs/dbraw/zinc/15/10/56/453151056.db2.gz GYBDCDYTUNIHNF-UHFFFAOYSA-N 2 2 333.436 1.269 20 0 EDADLP CC(C)C[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000664594634 453230040 /nfs/dbraw/zinc/23/00/40/453230040.db2.gz GDAZWIAMQGOGNH-DLBZAZTESA-N 2 2 342.528 1.763 20 0 EDADLP CC(C)C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000664594634 453230043 /nfs/dbraw/zinc/23/00/43/453230043.db2.gz GDAZWIAMQGOGNH-DLBZAZTESA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000653066765 453244797 /nfs/dbraw/zinc/24/47/97/453244797.db2.gz BJODOJSZWMZBBA-CQSZACIVSA-N 2 2 338.839 1.450 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000648773293 453251270 /nfs/dbraw/zinc/25/12/70/453251270.db2.gz ARTDBRBRHREDEV-OAHLLOKOSA-N 2 2 344.463 1.475 20 0 EDADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000666943421 453266507 /nfs/dbraw/zinc/26/65/07/453266507.db2.gz FMNRJZCOZIDKCO-UWVGGRQHSA-N 2 2 331.185 1.967 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651098852 453267788 /nfs/dbraw/zinc/26/77/88/453267788.db2.gz JCHTVQFAZVJLTR-HOCLYGCPSA-N 2 2 329.448 1.953 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccc(Br)cc21 ZINC000653090356 453272187 /nfs/dbraw/zinc/27/21/87/453272187.db2.gz MYBFKJXLICPEFQ-LBPRGKRZSA-N 2 2 326.238 1.617 20 0 EDADLP C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089689 453273006 /nfs/dbraw/zinc/27/30/06/453273006.db2.gz QOOBFGCLXGFQQY-KCXAZCMYSA-N 2 2 339.867 1.907 20 0 EDADLP Cn1ccnc1[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1cccc(F)c1 ZINC000653107120 453290345 /nfs/dbraw/zinc/29/03/45/453290345.db2.gz YOYHSPMCPUSVTH-HUUCEWRRSA-N 2 2 333.411 1.044 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653108775 453293893 /nfs/dbraw/zinc/29/38/93/453293893.db2.gz HIVMUEIBIMKFDV-CVEARBPZSA-N 2 2 330.432 1.065 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CC(F)(F)C[NH3+])c2)CCO1 ZINC000653112932 453298575 /nfs/dbraw/zinc/29/85/75/453298575.db2.gz NCYOHOREWFVDTE-ZDUSSCGKSA-N 2 2 341.402 1.508 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CC(F)(F)C[NH3+])c2)CCO1 ZINC000653112932 453298588 /nfs/dbraw/zinc/29/85/88/453298588.db2.gz NCYOHOREWFVDTE-ZDUSSCGKSA-N 2 2 341.402 1.508 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000660431448 453303129 /nfs/dbraw/zinc/30/31/29/453303129.db2.gz IGNWLQLSQWVAIM-INIZCTEOSA-N 2 2 331.464 1.834 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000660431448 453303138 /nfs/dbraw/zinc/30/31/38/453303138.db2.gz IGNWLQLSQWVAIM-INIZCTEOSA-N 2 2 331.464 1.834 20 0 EDADLP Cc1cc(Br)c(O)c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653151690 453339944 /nfs/dbraw/zinc/33/99/44/453339944.db2.gz OVUOXUGBFIRESZ-JTQLQIEISA-N 2 2 330.226 1.681 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662586831 453314070 /nfs/dbraw/zinc/31/40/70/453314070.db2.gz OXHHGPKJNVEDHY-PKOBYXMFSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662586831 453314079 /nfs/dbraw/zinc/31/40/79/453314079.db2.gz OXHHGPKJNVEDHY-PKOBYXMFSA-N 2 2 349.519 1.868 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150674 453338576 /nfs/dbraw/zinc/33/85/76/453338576.db2.gz JZHLBPQFEAJLOL-LSDHHAIUSA-N 3 2 326.872 1.338 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000653153790 453343018 /nfs/dbraw/zinc/34/30/18/453343018.db2.gz ZWSOWRIVZXKHMH-WBVHZDCISA-N 2 2 330.407 1.705 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000653163953 453357099 /nfs/dbraw/zinc/35/70/99/453357099.db2.gz BETLRLBOJQJMHW-NVXWUHKLSA-N 2 2 346.475 1.507 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244686 453368538 /nfs/dbraw/zinc/36/85/38/453368538.db2.gz SAFBHMQSGRWRJG-KPLDXPABSA-N 2 2 325.497 1.862 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244686 453368546 /nfs/dbraw/zinc/36/85/46/453368546.db2.gz SAFBHMQSGRWRJG-KPLDXPABSA-N 2 2 325.497 1.862 20 0 EDADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000662667880 453380606 /nfs/dbraw/zinc/38/06/06/453380606.db2.gz ZMLVNIRNOBEEPS-QGZVFWFLSA-N 2 2 331.460 1.598 20 0 EDADLP Cn1c[nH+]c(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000660539735 453384497 /nfs/dbraw/zinc/38/44/97/453384497.db2.gz WFOMXOJPFMURSM-FQEVSTJZSA-N 2 2 339.487 1.812 20 0 EDADLP Cn1c[nH+]c(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000660539735 453384509 /nfs/dbraw/zinc/38/45/09/453384509.db2.gz WFOMXOJPFMURSM-FQEVSTJZSA-N 2 2 339.487 1.812 20 0 EDADLP C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)n1 ZINC000653202965 453398962 /nfs/dbraw/zinc/39/89/62/453398962.db2.gz WNDGKUZOHRGQJW-VHDGCEQUSA-N 2 2 349.479 1.253 20 0 EDADLP [NH3+][C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1F ZINC000662684582 453404479 /nfs/dbraw/zinc/40/44/79/453404479.db2.gz FSILNFDXJFNFRR-INIZCTEOSA-N 2 2 334.370 1.856 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662741611 453467418 /nfs/dbraw/zinc/46/74/18/453467418.db2.gz FWUKDBLDCMUYTH-SZMVWBNQSA-N 2 2 332.492 1.292 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662741611 453467428 /nfs/dbraw/zinc/46/74/28/453467428.db2.gz FWUKDBLDCMUYTH-SZMVWBNQSA-N 2 2 332.492 1.292 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)([NH+]2CCCCC2)CC1 ZINC000662755579 453492603 /nfs/dbraw/zinc/49/26/03/453492603.db2.gz CDLPUTCAUSLBEQ-INIZCTEOSA-N 3 2 336.524 1.441 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000651358465 453500690 /nfs/dbraw/zinc/50/06/90/453500690.db2.gz HUSKCGRDIDGVFO-OAHLLOKOSA-N 2 2 346.475 1.379 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445716 453531801 /nfs/dbraw/zinc/53/18/01/453531801.db2.gz JZCFGRJIEKWLCR-HKUYNNGSSA-N 2 2 329.444 1.847 20 0 EDADLP CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1C(F)F ZINC000667284984 453534773 /nfs/dbraw/zinc/53/47/73/453534773.db2.gz LBKBIWNPARFMDH-LLVKDONJSA-N 2 2 344.410 1.583 20 0 EDADLP CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1C(F)F ZINC000667284984 453534777 /nfs/dbraw/zinc/53/47/77/453534777.db2.gz LBKBIWNPARFMDH-LLVKDONJSA-N 2 2 344.410 1.583 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667330811 453563890 /nfs/dbraw/zinc/56/38/90/453563890.db2.gz MJHAUFNYXHMFFY-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000667330811 453563895 /nfs/dbraw/zinc/56/38/95/453563895.db2.gz MJHAUFNYXHMFFY-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)cc1 ZINC000659021799 453584601 /nfs/dbraw/zinc/58/46/01/453584601.db2.gz HPNVDPBETYZLKL-UHFFFAOYSA-N 2 2 346.475 1.982 20 0 EDADLP CN(C(=O)CNc1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900715 453593772 /nfs/dbraw/zinc/59/37/72/453593772.db2.gz OPZSPBAQCFVEJX-GOSISDBHSA-N 2 2 330.476 1.725 20 0 EDADLP CN(C(=O)CNc1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900715 453593773 /nfs/dbraw/zinc/59/37/73/453593773.db2.gz OPZSPBAQCFVEJX-GOSISDBHSA-N 2 2 330.476 1.725 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCC(C)CC1 ZINC000660846558 453604021 /nfs/dbraw/zinc/60/40/21/453604021.db2.gz HTCBENWBIPIJSB-DLBZAZTESA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(OCC[NH+](C)C)c1 ZINC000665290888 453638399 /nfs/dbraw/zinc/63/83/99/453638399.db2.gz NVURJPKZFJMYAX-CYBMUJFWSA-N 3 2 345.447 1.432 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665292150 453638757 /nfs/dbraw/zinc/63/87/57/453638757.db2.gz ULXDOOXRALKMFS-LBPRGKRZSA-N 3 2 338.415 1.986 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCc4ccccc4O3)C2)CC1 ZINC000665295193 453640098 /nfs/dbraw/zinc/64/00/98/453640098.db2.gz ZVSVGHSVTGKEFR-VQIMIIECSA-N 2 2 343.471 1.665 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCc4ccccc4O3)C2)CC1 ZINC000665295193 453640101 /nfs/dbraw/zinc/64/01/01/453640101.db2.gz ZVSVGHSVTGKEFR-VQIMIIECSA-N 2 2 343.471 1.665 20 0 EDADLP CNc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665368219 453670530 /nfs/dbraw/zinc/67/05/30/453670530.db2.gz OYVYIDUIPFPUQU-INIZCTEOSA-N 2 2 330.476 1.969 20 0 EDADLP CNc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665368219 453670532 /nfs/dbraw/zinc/67/05/32/453670532.db2.gz OYVYIDUIPFPUQU-INIZCTEOSA-N 2 2 330.476 1.969 20 0 EDADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000661187831 453751488 /nfs/dbraw/zinc/75/14/88/453751488.db2.gz KBOKGQJOYRQZRG-UXHICEINSA-N 2 2 340.471 1.938 20 0 EDADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000661187831 453751491 /nfs/dbraw/zinc/75/14/91/453751491.db2.gz KBOKGQJOYRQZRG-UXHICEINSA-N 2 2 340.471 1.938 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205141 453758447 /nfs/dbraw/zinc/75/84/47/453758447.db2.gz QSKKQFIHUXLFNB-OAHLLOKOSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205141 453758450 /nfs/dbraw/zinc/75/84/50/453758450.db2.gz QSKKQFIHUXLFNB-OAHLLOKOSA-N 2 2 331.464 1.688 20 0 EDADLP CN(CC[NH2+]Cc1c[nH+]c2n1CCC2)S(=O)(=O)c1cccs1 ZINC000657413166 453782874 /nfs/dbraw/zinc/78/28/74/453782874.db2.gz MLABHZBEFKEVMR-UHFFFAOYSA-N 2 2 340.474 1.301 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000665689187 453789582 /nfs/dbraw/zinc/78/95/82/453789582.db2.gz YLNBVPIBHSWEKI-LSDHHAIUSA-N 2 2 333.480 1.970 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000665689187 453789584 /nfs/dbraw/zinc/78/95/84/453789584.db2.gz YLNBVPIBHSWEKI-LSDHHAIUSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1[nH+]ccn1C ZINC000663442920 453800102 /nfs/dbraw/zinc/80/01/02/453800102.db2.gz APPJTKQUHWSWAY-ZBFHGGJFSA-N 2 2 329.448 1.953 20 0 EDADLP CN(C(=O)NC1CC(F)(F)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683224866 486661840 /nfs/dbraw/zinc/66/18/40/486661840.db2.gz SDLNHQFSSKDEOZ-CQSZACIVSA-N 2 2 330.423 1.594 20 0 EDADLP CN(C(=O)NC1CC(F)(F)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683224866 486661844 /nfs/dbraw/zinc/66/18/44/486661844.db2.gz SDLNHQFSSKDEOZ-CQSZACIVSA-N 2 2 330.423 1.594 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676118936 486672538 /nfs/dbraw/zinc/67/25/38/486672538.db2.gz JKYQKCDWDVZZBJ-CVEARBPZSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676118936 486672540 /nfs/dbraw/zinc/67/25/40/486672540.db2.gz JKYQKCDWDVZZBJ-CVEARBPZSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676118936 486672546 /nfs/dbraw/zinc/67/25/46/486672546.db2.gz JKYQKCDWDVZZBJ-CVEARBPZSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676118936 486672550 /nfs/dbraw/zinc/67/25/50/486672550.db2.gz JKYQKCDWDVZZBJ-CVEARBPZSA-N 2 2 334.464 1.890 20 0 EDADLP CCc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000671720722 486731572 /nfs/dbraw/zinc/73/15/72/486731572.db2.gz ZGAGGIUVAHGSNI-OAHLLOKOSA-N 2 2 334.464 1.786 20 0 EDADLP CCc1nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000671720722 486731578 /nfs/dbraw/zinc/73/15/78/486731578.db2.gz ZGAGGIUVAHGSNI-OAHLLOKOSA-N 2 2 334.464 1.786 20 0 EDADLP CS(=O)(=O)NC1CC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000670271821 486775803 /nfs/dbraw/zinc/77/58/03/486775803.db2.gz QIMBTOPJWRMWMP-UHFFFAOYSA-N 2 2 343.415 1.073 20 0 EDADLP c1cc(N2CCOCC2)nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH+]1 ZINC000676491878 486785491 /nfs/dbraw/zinc/78/54/91/486785491.db2.gz XYPPWFXAUBZZEC-DOTOQJQBSA-N 2 2 343.475 1.766 20 0 EDADLP c1cc(N2CCOCC2)nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH+]1 ZINC000676491878 486785496 /nfs/dbraw/zinc/78/54/96/486785496.db2.gz XYPPWFXAUBZZEC-DOTOQJQBSA-N 2 2 343.475 1.766 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416871412 486787503 /nfs/dbraw/zinc/78/75/03/486787503.db2.gz XTDLKVYZERJWEO-ZWKOTPCHSA-N 2 2 346.475 1.588 20 0 EDADLP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000667477224 486796480 /nfs/dbraw/zinc/79/64/80/486796480.db2.gz XXZRPXCUQBOLQD-MRXNPFEDSA-N 2 2 334.445 1.666 20 0 EDADLP CCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000667477224 486796485 /nfs/dbraw/zinc/79/64/85/486796485.db2.gz XXZRPXCUQBOLQD-MRXNPFEDSA-N 2 2 334.445 1.666 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667574245 486853105 /nfs/dbraw/zinc/85/31/05/486853105.db2.gz CXNWMMIONSUMGJ-CQSZACIVSA-N 2 2 342.443 1.771 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667574245 486853111 /nfs/dbraw/zinc/85/31/11/486853111.db2.gz CXNWMMIONSUMGJ-CQSZACIVSA-N 2 2 342.443 1.771 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCc1ccc(Cl)cc1 ZINC000683895279 486856379 /nfs/dbraw/zinc/85/63/79/486856379.db2.gz MTABLMNUCUUKJJ-UHFFFAOYSA-N 2 2 333.823 1.502 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000680814796 486859021 /nfs/dbraw/zinc/85/90/21/486859021.db2.gz GOPHZFSXXMKXJU-QGZVFWFLSA-N 2 2 334.851 1.741 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000680814796 486859030 /nfs/dbraw/zinc/85/90/30/486859030.db2.gz GOPHZFSXXMKXJU-QGZVFWFLSA-N 2 2 334.851 1.741 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000667603070 486868490 /nfs/dbraw/zinc/86/84/90/486868490.db2.gz XKFPQIAHELUKRO-GOSISDBHSA-N 2 2 331.508 1.895 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000667603070 486868493 /nfs/dbraw/zinc/86/84/93/486868493.db2.gz XKFPQIAHELUKRO-GOSISDBHSA-N 2 2 331.508 1.895 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)c2ccccc2O1 ZINC000676844216 486902114 /nfs/dbraw/zinc/90/21/14/486902114.db2.gz HGAQMQNQXFKHBH-ZBFHGGJFSA-N 2 2 340.427 1.801 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)nc1 ZINC000667778185 486960792 /nfs/dbraw/zinc/96/07/92/486960792.db2.gz VNBHQONXXLKDBJ-IRXDYDNUSA-N 2 2 331.464 1.146 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC2 ZINC000673270288 486968701 /nfs/dbraw/zinc/96/87/01/486968701.db2.gz RRZFFJZYNQCHAF-UHFFFAOYSA-N 2 2 349.479 1.159 20 0 EDADLP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[N@H+](C)CCO1 ZINC000667838684 486988381 /nfs/dbraw/zinc/98/83/81/486988381.db2.gz DEDBCTAPCFQSAE-MLGOLLRUSA-N 2 2 334.420 1.009 20 0 EDADLP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1C[N@@H+](C)CCO1 ZINC000667838684 486988386 /nfs/dbraw/zinc/98/83/86/486988386.db2.gz DEDBCTAPCFQSAE-MLGOLLRUSA-N 2 2 334.420 1.009 20 0 EDADLP CCOc1nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)co1 ZINC000681252543 486991311 /nfs/dbraw/zinc/99/13/11/486991311.db2.gz XJIXRNIYAIAQOE-UHFFFAOYSA-N 2 2 336.436 1.362 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000681325108 487015156 /nfs/dbraw/zinc/01/51/56/487015156.db2.gz PJMFQLBPPVCOGK-GUYCJALGSA-N 2 2 330.432 1.570 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000681325108 487015161 /nfs/dbraw/zinc/01/51/61/487015161.db2.gz PJMFQLBPPVCOGK-GUYCJALGSA-N 2 2 330.432 1.570 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C2 ZINC000681508124 487062920 /nfs/dbraw/zinc/06/29/20/487062920.db2.gz JQCNZHPQOZXBQS-LSDHHAIUSA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C2 ZINC000681508124 487062924 /nfs/dbraw/zinc/06/29/24/487062924.db2.gz JQCNZHPQOZXBQS-LSDHHAIUSA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000681508124 487062928 /nfs/dbraw/zinc/06/29/28/487062928.db2.gz JQCNZHPQOZXBQS-LSDHHAIUSA-N 2 2 334.464 1.296 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000681508124 487062932 /nfs/dbraw/zinc/06/29/32/487062932.db2.gz JQCNZHPQOZXBQS-LSDHHAIUSA-N 2 2 334.464 1.296 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673776482 487111947 /nfs/dbraw/zinc/11/19/47/487111947.db2.gz IHXGHOVFADBTER-MRXNPFEDSA-N 2 2 329.448 1.969 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673776482 487111951 /nfs/dbraw/zinc/11/19/51/487111951.db2.gz IHXGHOVFADBTER-MRXNPFEDSA-N 2 2 329.448 1.969 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000681660908 487123957 /nfs/dbraw/zinc/12/39/57/487123957.db2.gz ABPHMMANLQZJTP-AWEZNQCLSA-N 2 2 345.472 1.787 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000673843044 487131346 /nfs/dbraw/zinc/13/13/46/487131346.db2.gz YRGNJADVNIAFDT-VQIMIIECSA-N 2 2 342.443 1.272 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000673843044 487131347 /nfs/dbraw/zinc/13/13/47/487131347.db2.gz YRGNJADVNIAFDT-VQIMIIECSA-N 2 2 342.443 1.272 20 0 EDADLP Cc1[nH+]cc(C[N@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)n1C ZINC000668213166 487145474 /nfs/dbraw/zinc/14/54/74/487145474.db2.gz WXCSOVMGCOZKCQ-QGZVFWFLSA-N 2 2 329.448 1.858 20 0 EDADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)n1C ZINC000668213166 487145478 /nfs/dbraw/zinc/14/54/78/487145478.db2.gz WXCSOVMGCOZKCQ-QGZVFWFLSA-N 2 2 329.448 1.858 20 0 EDADLP C[C@@H](Cc1ccncc1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674160874 487209212 /nfs/dbraw/zinc/20/92/12/487209212.db2.gz ZDNBMTDNBSIZHP-RDJZCZTQSA-N 2 2 345.491 1.480 20 0 EDADLP C[C@@H](Cc1ccncc1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674160874 487209213 /nfs/dbraw/zinc/20/92/13/487209213.db2.gz ZDNBMTDNBSIZHP-RDJZCZTQSA-N 2 2 345.491 1.480 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)[C@H](C)[NH+](C)C)c2[nH+]ccn2C)c1 ZINC000674244998 487221602 /nfs/dbraw/zinc/22/16/02/487221602.db2.gz WYGPWOLJNNEIAH-BLLLJJGKSA-N 2 2 346.431 1.593 20 0 EDADLP CCCn1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000678010893 487227285 /nfs/dbraw/zinc/22/72/85/487227285.db2.gz OPIJQGGFYMAGJX-UHFFFAOYSA-N 2 2 348.495 1.368 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)CC1 ZINC000685414383 487270275 /nfs/dbraw/zinc/27/02/75/487270275.db2.gz ZRILGTHTQZGPHN-AVGNSLFASA-N 2 2 339.402 1.076 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cnc4ccccn34)CC2)CC1 ZINC000685453054 487277427 /nfs/dbraw/zinc/27/74/27/487277427.db2.gz JJEHEDRXKIYXPC-UHFFFAOYSA-N 2 2 341.459 1.320 20 0 EDADLP Cn1cnnc1C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685472537 487280441 /nfs/dbraw/zinc/28/04/41/487280441.db2.gz ZYDXBDHGVCULTK-UHFFFAOYSA-N 2 2 329.448 1.922 20 0 EDADLP Cn1cnnc1C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685472537 487280445 /nfs/dbraw/zinc/28/04/45/487280445.db2.gz ZYDXBDHGVCULTK-UHFFFAOYSA-N 2 2 329.448 1.922 20 0 EDADLP CC(C)[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000678687471 487352809 /nfs/dbraw/zinc/35/28/09/487352809.db2.gz ZGTOPLOKSKVMIE-RTBURBONSA-N 2 2 332.492 1.775 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000675187331 487386287 /nfs/dbraw/zinc/38/62/87/487386287.db2.gz RCRWEHPEFKNIOO-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(O)C[NH+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000675421224 487406268 /nfs/dbraw/zinc/40/62/68/487406268.db2.gz WGNKSDZYBIWHDV-UHFFFAOYSA-N 2 2 346.475 1.100 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675584273 487425139 /nfs/dbraw/zinc/42/51/39/487425139.db2.gz COCWVIPICDNVAI-INIZCTEOSA-N 2 2 343.431 1.341 20 0 EDADLP CC(C)n1nccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675792571 487444689 /nfs/dbraw/zinc/44/46/89/487444689.db2.gz KWYFVARLRAAHGD-MRXNPFEDSA-N 2 2 333.480 1.705 20 0 EDADLP CC(C)n1nccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675792571 487444690 /nfs/dbraw/zinc/44/46/90/487444690.db2.gz KWYFVARLRAAHGD-MRXNPFEDSA-N 2 2 333.480 1.705 20 0 EDADLP Cc1nc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000675795721 487445170 /nfs/dbraw/zinc/44/51/70/487445170.db2.gz HYHVNOBWPPJBDX-AWEZNQCLSA-N 2 2 336.505 1.587 20 0 EDADLP Cc1nc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000675795721 487445171 /nfs/dbraw/zinc/44/51/71/487445171.db2.gz HYHVNOBWPPJBDX-AWEZNQCLSA-N 2 2 336.505 1.587 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000679703417 487459738 /nfs/dbraw/zinc/45/97/38/487459738.db2.gz UWGIIBZKKNQTAM-HNNXBMFYSA-N 2 2 346.475 1.575 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000669550317 485543556 /nfs/dbraw/zinc/54/35/56/485543556.db2.gz KSNWHPFVVUGOKO-YESZJQIVSA-N 2 2 332.448 1.049 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000669550317 485543559 /nfs/dbraw/zinc/54/35/59/485543559.db2.gz KSNWHPFVVUGOKO-YESZJQIVSA-N 2 2 332.448 1.049 20 0 EDADLP Cc1ccc(SC[C@@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000669563126 485572571 /nfs/dbraw/zinc/57/25/71/485572571.db2.gz VSRMBNMCVPQOEY-CABCVRRESA-N 2 2 336.505 1.760 20 0 EDADLP Cc1ccc(SC[C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000669563126 485572579 /nfs/dbraw/zinc/57/25/79/485572579.db2.gz VSRMBNMCVPQOEY-CABCVRRESA-N 2 2 336.505 1.760 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCC2CC(OC(C)(C)C)C2)[C@H](C[NH3+])C1 ZINC000669570898 485592298 /nfs/dbraw/zinc/59/22/98/485592298.db2.gz JMYDNWZFFHIGGN-SHARSMKWSA-N 2 2 326.485 1.255 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCC2CC(OC(C)(C)C)C2)[C@H](C[NH3+])C1 ZINC000669570898 485592305 /nfs/dbraw/zinc/59/23/05/485592305.db2.gz JMYDNWZFFHIGGN-SHARSMKWSA-N 2 2 326.485 1.255 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000325053103 485637379 /nfs/dbraw/zinc/63/73/79/485637379.db2.gz OPUXLIGBQNMLJB-MAUKXSAKSA-N 2 2 331.460 1.510 20 0 EDADLP CO[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000668616323 485954190 /nfs/dbraw/zinc/95/41/90/485954190.db2.gz BKZMFVFRUXXAIH-MSOLQXFVSA-N 2 2 337.508 1.819 20 0 EDADLP CO[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000668616323 485954198 /nfs/dbraw/zinc/95/41/98/485954198.db2.gz BKZMFVFRUXXAIH-MSOLQXFVSA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115548217 486027997 /nfs/dbraw/zinc/02/79/97/486027997.db2.gz ZMDDVXPPCYGANV-DLBZAZTESA-N 2 2 339.524 1.945 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115548217 486028002 /nfs/dbraw/zinc/02/80/02/486028002.db2.gz ZMDDVXPPCYGANV-DLBZAZTESA-N 2 2 339.524 1.945 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(CC(F)(F)F)C2)CC1 ZINC000677579397 486073417 /nfs/dbraw/zinc/07/34/17/486073417.db2.gz MREDTYGFBIREFR-UHFFFAOYSA-N 2 2 336.402 1.606 20 0 EDADLP c1c(Cc2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)[nH+]c2n1CCCC2 ZINC000351438597 486082155 /nfs/dbraw/zinc/08/21/55/486082155.db2.gz XPUDZCZLKGOHPO-KGLIPLIRSA-N 2 2 329.404 1.729 20 0 EDADLP c1c(Cc2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)[nH+]c2n1CCCC2 ZINC000351438597 486082162 /nfs/dbraw/zinc/08/21/62/486082162.db2.gz XPUDZCZLKGOHPO-KGLIPLIRSA-N 2 2 329.404 1.729 20 0 EDADLP COCCOc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668740919 486112815 /nfs/dbraw/zinc/11/28/15/486112815.db2.gz MPMCHNMPSNCIDQ-GOSISDBHSA-N 2 2 334.460 1.743 20 0 EDADLP COCCOc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668740919 486112819 /nfs/dbraw/zinc/11/28/19/486112819.db2.gz MPMCHNMPSNCIDQ-GOSISDBHSA-N 2 2 334.460 1.743 20 0 EDADLP CC(C)N(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000668740205 486113008 /nfs/dbraw/zinc/11/30/08/486113008.db2.gz RMTZNAGJNYGMFQ-SFHVURJKSA-N 2 2 332.492 1.957 20 0 EDADLP CC(C)N(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000668740205 486113016 /nfs/dbraw/zinc/11/30/16/486113016.db2.gz RMTZNAGJNYGMFQ-SFHVURJKSA-N 2 2 332.492 1.957 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000668077128 486156263 /nfs/dbraw/zinc/15/62/63/486156263.db2.gz FMADWJAGGUWZOU-IAGOWNOFSA-N 2 2 342.443 1.780 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000668785843 486194906 /nfs/dbraw/zinc/19/49/06/486194906.db2.gz ZCGMJCSODIGMBT-HNNXBMFYSA-N 2 2 333.432 1.560 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000668785843 486194911 /nfs/dbraw/zinc/19/49/11/486194911.db2.gz ZCGMJCSODIGMBT-HNNXBMFYSA-N 2 2 333.432 1.560 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)[nH+]c12 ZINC000669511765 486294763 /nfs/dbraw/zinc/29/47/63/486294763.db2.gz FNWXHJRAWDUUQF-LSDHHAIUSA-N 2 2 329.448 1.873 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[N@H+](C)C1 ZINC000671428928 486492426 /nfs/dbraw/zinc/49/24/26/486492426.db2.gz WRQYKFRNYCORCZ-HRCADAONSA-N 2 2 335.448 1.642 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[N@@H+](C)C1 ZINC000671428928 486492429 /nfs/dbraw/zinc/49/24/29/486492429.db2.gz WRQYKFRNYCORCZ-HRCADAONSA-N 2 2 335.448 1.642 20 0 EDADLP CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123841506 491207379 /nfs/dbraw/zinc/20/73/79/491207379.db2.gz ZXJLUDYMHVSFIF-CGTJXYLNSA-N 2 2 333.476 1.732 20 0 EDADLP CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123841506 491207381 /nfs/dbraw/zinc/20/73/81/491207381.db2.gz ZXJLUDYMHVSFIF-CGTJXYLNSA-N 2 2 333.476 1.732 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131433881 491212978 /nfs/dbraw/zinc/21/29/78/491212978.db2.gz BRMRLZOOBFWFBU-CYBMUJFWSA-N 2 2 330.457 1.682 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131433881 491212979 /nfs/dbraw/zinc/21/29/79/491212979.db2.gz BRMRLZOOBFWFBU-CYBMUJFWSA-N 2 2 330.457 1.682 20 0 EDADLP Cc1[nH+]cc(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)n1C ZINC000578338239 491001476 /nfs/dbraw/zinc/00/14/76/491001476.db2.gz ARRHMGOSRCRBRK-QGZVFWFLSA-N 2 2 327.388 1.073 20 0 EDADLP CC(C)(C)C1=CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000340189169 534541121 /nfs/dbraw/zinc/54/11/21/534541121.db2.gz WBNXCKAPEUOYSR-UHFFFAOYSA-N 2 2 337.508 1.892 20 0 EDADLP CC(C)(C)C1=CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000340189169 534541127 /nfs/dbraw/zinc/54/11/27/534541127.db2.gz WBNXCKAPEUOYSR-UHFFFAOYSA-N 2 2 337.508 1.892 20 0 EDADLP [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000167963455 534733426 /nfs/dbraw/zinc/73/34/26/534733426.db2.gz DUYCMSGTKZSGFA-LFDJNIOPSA-N 2 2 343.471 1.238 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245896767 536474445 /nfs/dbraw/zinc/47/44/45/536474445.db2.gz DDBDPXWXBKFZOU-IXDOHACOSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245896767 536474448 /nfs/dbraw/zinc/47/44/48/536474448.db2.gz DDBDPXWXBKFZOU-IXDOHACOSA-N 2 2 343.475 1.786 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178096077 528582204 /nfs/dbraw/zinc/58/22/04/528582204.db2.gz KCXVSSSBYAUQJC-QGZVFWFLSA-N 2 2 330.432 1.744 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000158761748 528994000 /nfs/dbraw/zinc/99/40/00/528994000.db2.gz PGPYASMSEZNPBS-SJLPKXTDSA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000158761748 528994007 /nfs/dbraw/zinc/99/40/07/528994007.db2.gz PGPYASMSEZNPBS-SJLPKXTDSA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000158761748 528994015 /nfs/dbraw/zinc/99/40/15/528994015.db2.gz PGPYASMSEZNPBS-SJLPKXTDSA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000158761748 528994018 /nfs/dbraw/zinc/99/40/18/528994018.db2.gz PGPYASMSEZNPBS-SJLPKXTDSA-N 3 2 336.524 1.392 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnn(C)c3C(F)(F)F)C2)CC1 ZINC000154105828 529152622 /nfs/dbraw/zinc/15/26/22/529152622.db2.gz ANKAVZPTDCEWAS-AWEZNQCLSA-N 2 2 345.413 1.651 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnn(C)c3C(F)(F)F)C2)CC1 ZINC000154105828 529152623 /nfs/dbraw/zinc/15/26/23/529152623.db2.gz ANKAVZPTDCEWAS-AWEZNQCLSA-N 2 2 345.413 1.651 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000247971775 535124792 /nfs/dbraw/zinc/12/47/92/535124792.db2.gz JLUBBMNAOZYQNN-CRAIPNDOSA-N 2 2 344.463 1.670 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000247971775 535124795 /nfs/dbraw/zinc/12/47/95/535124795.db2.gz JLUBBMNAOZYQNN-CRAIPNDOSA-N 2 2 344.463 1.670 20 0 EDADLP CCOCC(C)(C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000339369601 535438626 /nfs/dbraw/zinc/43/86/26/535438626.db2.gz FWYWVQJMTZAGRQ-UHFFFAOYSA-N 2 2 334.464 1.525 20 0 EDADLP CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000271718007 535473467 /nfs/dbraw/zinc/47/34/67/535473467.db2.gz PNSKEIMWWSFJJR-UHFFFAOYSA-N 3 2 332.492 1.552 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000340048380 535563810 /nfs/dbraw/zinc/56/38/10/535563810.db2.gz UPRDHZVEQXSALG-UHFFFAOYSA-N 2 2 345.534 1.367 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000340048380 535563816 /nfs/dbraw/zinc/56/38/16/535563816.db2.gz UPRDHZVEQXSALG-UHFFFAOYSA-N 2 2 345.534 1.367 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000346118424 535573818 /nfs/dbraw/zinc/57/38/18/535573818.db2.gz FWOIGPBUSFEADA-MRXNPFEDSA-N 2 2 333.480 1.050 20 0 EDADLP CC[NH+]1CCN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000074436188 535622754 /nfs/dbraw/zinc/62/27/54/535622754.db2.gz BTYPLTUVDJGRNU-UHFFFAOYSA-N 2 2 331.464 1.706 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCCCNc2cccc[nH+]2)C1(C)C ZINC000262794157 535650190 /nfs/dbraw/zinc/65/01/90/535650190.db2.gz PEGXZIDOWNARSY-KSSFIOAISA-N 2 2 334.464 1.922 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352774522 535695187 /nfs/dbraw/zinc/69/51/87/535695187.db2.gz XUUGCUNXSBXSHE-UHFFFAOYSA-N 3 2 339.553 1.712 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352774522 535695195 /nfs/dbraw/zinc/69/51/95/535695195.db2.gz XUUGCUNXSBXSHE-UHFFFAOYSA-N 3 2 339.553 1.712 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[NH+](CCCO)CC1 ZINC000270292029 535714880 /nfs/dbraw/zinc/71/48/80/535714880.db2.gz OKLDNCXSOOEGIN-UHFFFAOYSA-N 2 2 343.427 1.916 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC000245909089 535734404 /nfs/dbraw/zinc/73/44/04/535734404.db2.gz ITNPXSRYLWCNGU-KSZLIROESA-N 2 2 336.524 1.393 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@H]3CCCC[C@@H]3C)C2)CC1 ZINC000245909089 535734407 /nfs/dbraw/zinc/73/44/07/535734407.db2.gz ITNPXSRYLWCNGU-KSZLIROESA-N 2 2 336.524 1.393 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[C@H]([NH3+])c2ccccc2)no1 ZINC000237061730 536061809 /nfs/dbraw/zinc/06/18/09/536061809.db2.gz CPPSAOQOTVEECC-ZDUSSCGKSA-N 2 2 331.420 1.573 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCSC1 ZINC000333315374 536142396 /nfs/dbraw/zinc/14/23/96/536142396.db2.gz WADGLFYPMUTXBQ-INIZCTEOSA-N 2 2 337.493 1.736 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCSC1 ZINC000333315374 536142401 /nfs/dbraw/zinc/14/24/01/536142401.db2.gz WADGLFYPMUTXBQ-INIZCTEOSA-N 2 2 337.493 1.736 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000248820980 536158592 /nfs/dbraw/zinc/15/85/92/536158592.db2.gz BNXXCSKSNMJUPH-GJZGRUSLSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000248820980 536158600 /nfs/dbraw/zinc/15/86/00/536158600.db2.gz BNXXCSKSNMJUPH-GJZGRUSLSA-N 2 2 344.459 1.512 20 0 EDADLP C[NH2+][C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cnn(C)c1 ZINC000262331545 536337714 /nfs/dbraw/zinc/33/77/14/536337714.db2.gz GRRMFKQDCQQCEZ-QGZVFWFLSA-N 2 2 343.431 1.152 20 0 EDADLP C[NH+]1CCC(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000047886154 536341808 /nfs/dbraw/zinc/34/18/08/536341808.db2.gz HGPNDTGYDMODNK-UHFFFAOYSA-N 2 2 341.459 1.867 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000195157299 536367964 /nfs/dbraw/zinc/36/79/64/536367964.db2.gz GVYHLOOHJDPEBH-MRXNPFEDSA-N 2 2 345.443 1.196 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000195157299 536367968 /nfs/dbraw/zinc/36/79/68/536367968.db2.gz GVYHLOOHJDPEBH-MRXNPFEDSA-N 2 2 345.443 1.196 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000247936768 536368021 /nfs/dbraw/zinc/36/80/21/536368021.db2.gz CPPPKSSMBDNPKB-IAGOWNOFSA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000247936768 536368023 /nfs/dbraw/zinc/36/80/23/536368023.db2.gz CPPPKSSMBDNPKB-IAGOWNOFSA-N 2 2 335.423 1.098 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000261636748 536400841 /nfs/dbraw/zinc/40/08/41/536400841.db2.gz CZJWGGNUMZQXAM-GFCCVEGCSA-N 2 2 348.428 1.220 20 0 EDADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000247195870 536798432 /nfs/dbraw/zinc/79/84/32/536798432.db2.gz VZRDPUDSRPIFBW-PKOBYXMFSA-N 3 2 334.508 1.850 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000247195870 536798437 /nfs/dbraw/zinc/79/84/37/536798437.db2.gz VZRDPUDSRPIFBW-PKOBYXMFSA-N 3 2 334.508 1.850 20 0 EDADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247195870 536798441 /nfs/dbraw/zinc/79/84/41/536798441.db2.gz VZRDPUDSRPIFBW-PKOBYXMFSA-N 3 2 334.508 1.850 20 0 EDADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000247195870 536798443 /nfs/dbraw/zinc/79/84/43/536798443.db2.gz VZRDPUDSRPIFBW-PKOBYXMFSA-N 3 2 334.508 1.850 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000741140447 579398212 /nfs/dbraw/zinc/39/82/12/579398212.db2.gz SQXDSHBXYCPXEN-RCCFBDPRSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000741140447 579398214 /nfs/dbraw/zinc/39/82/14/579398214.db2.gz SQXDSHBXYCPXEN-RCCFBDPRSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000741140447 579398215 /nfs/dbraw/zinc/39/82/15/579398215.db2.gz SQXDSHBXYCPXEN-RCCFBDPRSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000741140447 579398217 /nfs/dbraw/zinc/39/82/17/579398217.db2.gz SQXDSHBXYCPXEN-RCCFBDPRSA-N 2 2 344.459 1.025 20 0 EDADLP CS[C@H]1CN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)C[C@@H]1[NH+](C)C ZINC000759993620 580021203 /nfs/dbraw/zinc/02/12/03/580021203.db2.gz JSWUEXANDQXZEM-KBPBESRZSA-N 2 2 337.493 1.965 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@H]1C ZINC000740883350 578561982 /nfs/dbraw/zinc/56/19/82/578561982.db2.gz NUDDXEYEANSOBJ-KGLIPLIRSA-N 2 2 343.493 1.835 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@H]1C ZINC000740883350 578561983 /nfs/dbraw/zinc/56/19/83/578561983.db2.gz NUDDXEYEANSOBJ-KGLIPLIRSA-N 2 2 343.493 1.835 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@H]1C ZINC000740883350 578561984 /nfs/dbraw/zinc/56/19/84/578561984.db2.gz NUDDXEYEANSOBJ-KGLIPLIRSA-N 2 2 343.493 1.835 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@H]1C ZINC000740883350 578561985 /nfs/dbraw/zinc/56/19/85/578561985.db2.gz NUDDXEYEANSOBJ-KGLIPLIRSA-N 2 2 343.493 1.835 20 0 EDADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000729581798 578582797 /nfs/dbraw/zinc/58/27/97/578582797.db2.gz OZSRRKNDZNMXGM-UHFFFAOYSA-N 2 2 334.464 1.222 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C[C@@H](O)c2ccc(F)cc2)nc[nH+]1 ZINC000729919786 578599217 /nfs/dbraw/zinc/59/92/17/578599217.db2.gz CUPCTMSGPZXDEF-JKSUJKDBSA-N 2 2 345.422 1.949 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[NH+]1CCCCC1 ZINC000730064304 578612038 /nfs/dbraw/zinc/61/20/38/578612038.db2.gz ALJMPRFKIZPHNP-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493121984 578635111 /nfs/dbraw/zinc/63/51/11/578635111.db2.gz SPWLCTIZGDSIRX-JDZPGQNUSA-N 2 2 342.447 1.698 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493121984 578635113 /nfs/dbraw/zinc/63/51/13/578635113.db2.gz SPWLCTIZGDSIRX-JDZPGQNUSA-N 2 2 342.447 1.698 20 0 EDADLP C[C@H](c1ccc(NC(=O)CC[NH+]2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000732076529 578689938 /nfs/dbraw/zinc/68/99/38/578689938.db2.gz XSOIQEZQEFJDTI-MRXNPFEDSA-N 2 2 347.459 1.741 20 0 EDADLP CCn1cc(NC(=S)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000732722100 578725859 /nfs/dbraw/zinc/72/58/59/578725859.db2.gz WWAFPQHWIKPPMH-ZDUSSCGKSA-N 2 2 336.509 1.358 20 0 EDADLP CCn1cc(NC(=S)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000732722100 578725860 /nfs/dbraw/zinc/72/58/60/578725860.db2.gz WWAFPQHWIKPPMH-ZDUSSCGKSA-N 2 2 336.509 1.358 20 0 EDADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)n1 ZINC000732779279 578727943 /nfs/dbraw/zinc/72/79/43/578727943.db2.gz CVMYNPBNCUKWSX-CYBMUJFWSA-N 2 2 336.867 1.942 20 0 EDADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)n1 ZINC000732779279 578727944 /nfs/dbraw/zinc/72/79/44/578727944.db2.gz CVMYNPBNCUKWSX-CYBMUJFWSA-N 2 2 336.867 1.942 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000735559226 578898342 /nfs/dbraw/zinc/89/83/42/578898342.db2.gz KAXZMTGLSJJQJG-QWHCGFSZSA-N 2 2 343.435 1.077 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000735559226 578898344 /nfs/dbraw/zinc/89/83/44/578898344.db2.gz KAXZMTGLSJJQJG-QWHCGFSZSA-N 2 2 343.435 1.077 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000761071585 580046326 /nfs/dbraw/zinc/04/63/26/580046326.db2.gz QCOVUXMHBKSNLY-QZTJIDSGSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000761071585 580046327 /nfs/dbraw/zinc/04/63/27/580046327.db2.gz QCOVUXMHBKSNLY-QZTJIDSGSA-N 2 2 344.503 1.528 20 0 EDADLP O=C1C[C@@H](c2ccccn2)CN1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000738110240 579160782 /nfs/dbraw/zinc/16/07/82/579160782.db2.gz DHQPWVXMGJUGLD-OAHLLOKOSA-N 2 2 325.416 1.889 20 0 EDADLP O=C1C[C@@]2(CCSC2)C(=O)N1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738149912 579164646 /nfs/dbraw/zinc/16/46/46/579164646.db2.gz SRTCKXKJYVGPPJ-CZUORRHYSA-N 2 2 334.445 1.360 20 0 EDADLP O=C1C[C@@]2(CCSC2)C(=O)N1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738149912 579164647 /nfs/dbraw/zinc/16/46/47/579164647.db2.gz SRTCKXKJYVGPPJ-CZUORRHYSA-N 2 2 334.445 1.360 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000745083956 579537242 /nfs/dbraw/zinc/53/72/42/579537242.db2.gz PEPFNZUSQCQFQD-MRXNPFEDSA-N 2 2 339.480 1.393 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000745083956 579537244 /nfs/dbraw/zinc/53/72/44/579537244.db2.gz PEPFNZUSQCQFQD-MRXNPFEDSA-N 2 2 339.480 1.393 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943779 579568051 /nfs/dbraw/zinc/56/80/51/579568051.db2.gz KAGZGWRTTRCJOZ-LSDHHAIUSA-N 2 2 327.469 1.384 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745943779 579568053 /nfs/dbraw/zinc/56/80/53/579568053.db2.gz KAGZGWRTTRCJOZ-LSDHHAIUSA-N 2 2 327.469 1.384 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CCS(=O)(=O)C(C)C)CC2)CC1 ZINC000749460201 579727732 /nfs/dbraw/zinc/72/77/32/579727732.db2.gz LGCREXAAFWAWBR-UHFFFAOYSA-N 2 2 345.553 1.300 20 0 EDADLP O=C1OCC[C@@H]1CC[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000753848493 579889576 /nfs/dbraw/zinc/88/95/76/579889576.db2.gz OYZDZCAYLROROU-PKOBYXMFSA-N 2 2 332.444 1.556 20 0 EDADLP O=C1OCC[C@@H]1CC[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000753848493 579889577 /nfs/dbraw/zinc/88/95/77/579889577.db2.gz OYZDZCAYLROROU-PKOBYXMFSA-N 2 2 332.444 1.556 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)C2=O)cc1 ZINC000755381228 579926429 /nfs/dbraw/zinc/92/64/29/579926429.db2.gz PKKJUDREYMPIFO-GOEBONIOSA-N 2 2 338.411 1.850 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@H](c4[nH+]ccn4C)C3)C2=O)cc1 ZINC000755381228 579926430 /nfs/dbraw/zinc/92/64/30/579926430.db2.gz PKKJUDREYMPIFO-GOEBONIOSA-N 2 2 338.411 1.850 20 0 EDADLP Cn1c2ccncc2n(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000755782018 579934919 /nfs/dbraw/zinc/93/49/19/579934919.db2.gz XCKMYDSYABOYRJ-HNNXBMFYSA-N 2 2 329.448 1.356 20 0 EDADLP Cn1c2ccncc2n(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000755782018 579934920 /nfs/dbraw/zinc/93/49/20/579934920.db2.gz XCKMYDSYABOYRJ-HNNXBMFYSA-N 2 2 329.448 1.356 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000758687329 579989428 /nfs/dbraw/zinc/98/94/28/579989428.db2.gz OZARPIGKDTXNEY-MRXNPFEDSA-N 2 2 342.447 1.941 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@@H]21 ZINC000765702674 580149359 /nfs/dbraw/zinc/14/93/59/580149359.db2.gz DTLVICQYHXVZHA-SQNIBIBYSA-N 2 2 328.460 1.771 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@@H]21 ZINC000765702674 580149360 /nfs/dbraw/zinc/14/93/60/580149360.db2.gz DTLVICQYHXVZHA-SQNIBIBYSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@@H]21 ZINC000765702674 580149361 /nfs/dbraw/zinc/14/93/61/580149361.db2.gz DTLVICQYHXVZHA-SQNIBIBYSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C[C@@H](c4cccnc4)CC3=O)CC[C@@H]21 ZINC000765702674 580149362 /nfs/dbraw/zinc/14/93/62/580149362.db2.gz DTLVICQYHXVZHA-SQNIBIBYSA-N 2 2 328.460 1.771 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767555029 580192779 /nfs/dbraw/zinc/19/27/79/580192779.db2.gz IMTJROPUPFQALD-BBWFWOEESA-N 2 2 340.464 1.186 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767555029 580192780 /nfs/dbraw/zinc/19/27/80/580192780.db2.gz IMTJROPUPFQALD-BBWFWOEESA-N 2 2 340.464 1.186 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000767843710 580201827 /nfs/dbraw/zinc/20/18/27/580201827.db2.gz VLZCSEFDJUZRBP-RRFJBIMHSA-N 2 2 335.452 1.028 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000767843710 580201828 /nfs/dbraw/zinc/20/18/28/580201828.db2.gz VLZCSEFDJUZRBP-RRFJBIMHSA-N 2 2 335.452 1.028 20 0 EDADLP COC(=O)C[C@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CCCOC1 ZINC000770677076 580267340 /nfs/dbraw/zinc/26/73/40/580267340.db2.gz VIUOYAQVPAYGDI-QGZVFWFLSA-N 2 2 330.388 1.469 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccnc2Cl)CC1 ZINC000779604010 580491102 /nfs/dbraw/zinc/49/11/02/580491102.db2.gz QXOLWBFBRDUOQX-UHFFFAOYSA-N 2 2 325.840 1.394 20 0 EDADLP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783994014 580611028 /nfs/dbraw/zinc/61/10/28/580611028.db2.gz IUDRKQPRWGMFSX-HOCLYGCPSA-N 2 2 342.447 1.573 20 0 EDADLP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783994014 580611029 /nfs/dbraw/zinc/61/10/29/580611029.db2.gz IUDRKQPRWGMFSX-HOCLYGCPSA-N 2 2 342.447 1.573 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000787750579 580704024 /nfs/dbraw/zinc/70/40/24/580704024.db2.gz FNBQHOSOAIEZKJ-UONOGXRCSA-N 2 2 336.867 1.899 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000787750579 580704025 /nfs/dbraw/zinc/70/40/25/580704025.db2.gz FNBQHOSOAIEZKJ-UONOGXRCSA-N 2 2 336.867 1.899 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CCO1 ZINC000788859135 580731271 /nfs/dbraw/zinc/73/12/71/580731271.db2.gz ZBOCAFYJZHTPCJ-CJNGLKHVSA-N 2 2 342.399 1.875 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cccnc3F)CC2)CC1 ZINC000792909048 580830690 /nfs/dbraw/zinc/83/06/90/580830690.db2.gz RHUUXTAVJTWDBA-UHFFFAOYSA-N 2 2 349.454 1.579 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccnc3F)C2)CC1 ZINC000792952169 580831857 /nfs/dbraw/zinc/83/18/57/580831857.db2.gz GNHCUFWECRSHJJ-CQSZACIVSA-N 2 2 335.427 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cccnc3F)C2)CC1 ZINC000792952169 580831858 /nfs/dbraw/zinc/83/18/58/580831858.db2.gz GNHCUFWECRSHJJ-CQSZACIVSA-N 2 2 335.427 1.188 20 0 EDADLP CCC[C@@]12CCCN1C(=O)N([C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2=O ZINC000794775282 580905571 /nfs/dbraw/zinc/90/55/71/580905571.db2.gz HHISWQIEYMVXPL-LPHOPBHVSA-N 2 2 348.491 1.752 20 0 EDADLP CCC[C@@]12CCCN1C(=O)N([C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2=O ZINC000794775282 580905572 /nfs/dbraw/zinc/90/55/72/580905572.db2.gz HHISWQIEYMVXPL-LPHOPBHVSA-N 2 2 348.491 1.752 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1 ZINC000796311472 580950709 /nfs/dbraw/zinc/95/07/09/580950709.db2.gz GVMJECDOFBPDDU-YPMHNXCESA-N 2 2 331.507 1.650 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000891962617 590710774 /nfs/dbraw/zinc/71/07/74/590710774.db2.gz WROCBGWLENYBKH-KRWDZBQOSA-N 2 2 334.464 1.105 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000891962617 590710775 /nfs/dbraw/zinc/71/07/75/590710775.db2.gz WROCBGWLENYBKH-KRWDZBQOSA-N 2 2 334.464 1.105 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892045692 590769586 /nfs/dbraw/zinc/76/95/86/590769586.db2.gz ZRYSXGDHQRHIRA-HZPDHXFCSA-N 2 2 330.444 1.399 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892045692 590769587 /nfs/dbraw/zinc/76/95/87/590769587.db2.gz ZRYSXGDHQRHIRA-HZPDHXFCSA-N 2 2 330.444 1.399 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N(C)[C@H]3CCC[N@H+](C)C3)[nH+]c12 ZINC000893379716 590821911 /nfs/dbraw/zinc/82/19/11/590821911.db2.gz LKSIBOYQXXDVNZ-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N(C)[C@H]3CCC[N@@H+](C)C3)[nH+]c12 ZINC000893379716 590821915 /nfs/dbraw/zinc/82/19/15/590821915.db2.gz LKSIBOYQXXDVNZ-INIZCTEOSA-N 2 2 329.448 1.921 20 0 EDADLP COCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)o1 ZINC000892232705 590877476 /nfs/dbraw/zinc/87/74/76/590877476.db2.gz AVWIVYQGNVWBGL-DJIMGWMZSA-N 2 2 338.448 1.988 20 0 EDADLP COCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)o1 ZINC000892232705 590877481 /nfs/dbraw/zinc/87/74/81/590877481.db2.gz AVWIVYQGNVWBGL-DJIMGWMZSA-N 2 2 338.448 1.988 20 0 EDADLP [NH3+]C1(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CCOCC1 ZINC000892282304 590911902 /nfs/dbraw/zinc/91/19/02/590911902.db2.gz PVWPZJUFBWJHIQ-INIZCTEOSA-N 2 2 343.431 1.432 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)[C@H]2C1 ZINC000892310745 590934858 /nfs/dbraw/zinc/93/48/58/590934858.db2.gz OZCMQLIHEUHXJN-PBHICJAKSA-N 2 2 343.406 1.857 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)[C@H]2C1 ZINC000892310745 590934860 /nfs/dbraw/zinc/93/48/60/590934860.db2.gz OZCMQLIHEUHXJN-PBHICJAKSA-N 2 2 343.406 1.857 20 0 EDADLP CNc1cc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)nc[nH+]1 ZINC000892335071 590962735 /nfs/dbraw/zinc/96/27/35/590962735.db2.gz PAUPQRMBUHDMMC-UHFFFAOYSA-N 2 2 340.475 1.772 20 0 EDADLP CNc1cc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)nc[nH+]1 ZINC000892335071 590962738 /nfs/dbraw/zinc/96/27/38/590962738.db2.gz PAUPQRMBUHDMMC-UHFFFAOYSA-N 2 2 340.475 1.772 20 0 EDADLP COc1cccc(-c2csc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)n2)c1 ZINC000893607139 591005140 /nfs/dbraw/zinc/00/51/40/591005140.db2.gz VGKABNXATKJKRF-KRWDZBQOSA-N 2 2 333.457 1.975 20 0 EDADLP COc1cccc(-c2csc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)n2)c1 ZINC000893607139 591005143 /nfs/dbraw/zinc/00/51/43/591005143.db2.gz VGKABNXATKJKRF-KRWDZBQOSA-N 2 2 333.457 1.975 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)C2CC2)[C@@H](C)C1 ZINC000840877897 591023003 /nfs/dbraw/zinc/02/30/03/591023003.db2.gz BZBZBXUGMBWZGX-HOCLYGCPSA-N 2 2 332.510 1.290 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)C2CC2)[C@@H](C)C1 ZINC000840877897 591023006 /nfs/dbraw/zinc/02/30/06/591023006.db2.gz BZBZBXUGMBWZGX-HOCLYGCPSA-N 2 2 332.510 1.290 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC(OCC[NH+](C)C)CC2)nc[nH+]1 ZINC000892486651 591045489 /nfs/dbraw/zinc/04/54/89/591045489.db2.gz XRTJUEYNRDNCAM-CQSZACIVSA-N 2 2 337.468 1.206 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC(OCC[NH+](C)C)CC2)[nH+]cn1 ZINC000892486651 591045493 /nfs/dbraw/zinc/04/54/93/591045493.db2.gz XRTJUEYNRDNCAM-CQSZACIVSA-N 2 2 337.468 1.206 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891420452 591072207 /nfs/dbraw/zinc/07/22/07/591072207.db2.gz BHIVNNBPBFVMEP-RDJZCZTQSA-N 2 2 325.416 1.908 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000892612216 591096153 /nfs/dbraw/zinc/09/61/53/591096153.db2.gz TWUNHVXSPIFCCE-SJLPKXTDSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000892612216 591096158 /nfs/dbraw/zinc/09/61/58/591096158.db2.gz TWUNHVXSPIFCCE-SJLPKXTDSA-N 2 2 346.475 1.199 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000891506123 591098655 /nfs/dbraw/zinc/09/86/55/591098655.db2.gz DHGLTSKRNLUZCT-GOSISDBHSA-N 2 2 340.512 1.504 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000891506123 591098658 /nfs/dbraw/zinc/09/86/58/591098658.db2.gz DHGLTSKRNLUZCT-GOSISDBHSA-N 2 2 340.512 1.504 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]CCn2cccn2)CC1 ZINC000892658281 591114116 /nfs/dbraw/zinc/11/41/16/591114116.db2.gz DPUYCXMOEJDEIG-UHFFFAOYSA-N 2 2 337.468 1.462 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000891563012 591129689 /nfs/dbraw/zinc/12/96/89/591129689.db2.gz VSJSVHYYXAYBCN-JKSUJKDBSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000891563012 591129694 /nfs/dbraw/zinc/12/96/94/591129694.db2.gz VSJSVHYYXAYBCN-JKSUJKDBSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000891563011 591129787 /nfs/dbraw/zinc/12/97/87/591129787.db2.gz VSJSVHYYXAYBCN-HZPDHXFCSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000891563011 591129790 /nfs/dbraw/zinc/12/97/90/591129790.db2.gz VSJSVHYYXAYBCN-HZPDHXFCSA-N 2 2 343.431 1.075 20 0 EDADLP Cc1cc(N)nc(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)[nH+]1 ZINC000891610511 591148338 /nfs/dbraw/zinc/14/83/38/591148338.db2.gz PZHIXKKHKASBFI-UHFFFAOYSA-N 2 2 327.436 1.916 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[NH+](Cc3ccccn3)CC2)nc[nH+]1 ZINC000891611786 591150059 /nfs/dbraw/zinc/15/00/59/591150059.db2.gz VWXZNKYKFALUEJ-HNNXBMFYSA-N 2 2 342.447 1.377 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000893985681 591160221 /nfs/dbraw/zinc/16/02/21/591160221.db2.gz KPLFLLYDWBBJEC-UHFFFAOYSA-N 2 2 328.420 1.531 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892804016 591183640 /nfs/dbraw/zinc/18/36/40/591183640.db2.gz YVWDDIMZFYTDEB-IAGOWNOFSA-N 2 2 339.443 1.634 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000891741762 591206720 /nfs/dbraw/zinc/20/67/20/591206720.db2.gz RZDMCQDAQWNTSS-OAHLLOKOSA-N 2 2 331.464 1.965 20 0 EDADLP COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(F)F ZINC000894196777 591223643 /nfs/dbraw/zinc/22/36/43/591223643.db2.gz BTPVBEVFOBTCBR-OCCSQVGLSA-N 2 2 336.342 1.720 20 0 EDADLP C[N@@H+]1CC[C@@H](NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000892939567 591231280 /nfs/dbraw/zinc/23/12/80/591231280.db2.gz SLGMFIKOOFXNJE-OAHLLOKOSA-N 2 2 326.485 1.269 20 0 EDADLP C[N@H+]1CC[C@@H](NC2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)C1 ZINC000892939567 591231282 /nfs/dbraw/zinc/23/12/82/591231282.db2.gz SLGMFIKOOFXNJE-OAHLLOKOSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3cnc(N)c(Cl)n3)CC2)CC1 ZINC000892948774 591236135 /nfs/dbraw/zinc/23/61/35/591236135.db2.gz ABXIDTXIOODUFQ-UHFFFAOYSA-N 2 2 338.887 1.707 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccc[nH+]c3N3CCCC3)[C@@H]2C1 ZINC000895661083 591242497 /nfs/dbraw/zinc/24/24/97/591242497.db2.gz BPAWITJWEIWEOT-JKSUJKDBSA-N 2 2 329.448 1.527 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccc[nH+]c3N3CCCC3)[C@@H]2C1 ZINC000895661083 591242500 /nfs/dbraw/zinc/24/25/00/591242500.db2.gz BPAWITJWEIWEOT-JKSUJKDBSA-N 2 2 329.448 1.527 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc(C)c1O ZINC000895686725 591249206 /nfs/dbraw/zinc/24/92/06/591249206.db2.gz VYDCFIYCIJPHOS-IBGZPJMESA-N 2 2 347.503 1.895 20 0 EDADLP Cn1ncc(I)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000894254545 591249558 /nfs/dbraw/zinc/24/95/58/591249558.db2.gz PWHWRLTYYFMUSA-SNVBAGLBSA-N 2 2 348.232 1.456 20 0 EDADLP Cn1ncc(I)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000894254545 591249561 /nfs/dbraw/zinc/24/95/61/591249561.db2.gz PWHWRLTYYFMUSA-SNVBAGLBSA-N 2 2 348.232 1.456 20 0 EDADLP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000893027084 591259792 /nfs/dbraw/zinc/25/97/92/591259792.db2.gz RCZWEBKQKIPDFM-GJZGRUSLSA-N 2 2 342.447 1.997 20 0 EDADLP C[C@@H](C[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000893030545 591259983 /nfs/dbraw/zinc/25/99/83/591259983.db2.gz SKXCMWFMXZUPBV-HRCADAONSA-N 2 2 341.496 1.848 20 0 EDADLP Cc1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)sc1C ZINC000894425104 591308724 /nfs/dbraw/zinc/30/87/24/591308724.db2.gz GBBCGFGZDLKADQ-GOOCMWNKSA-N 2 2 336.505 1.933 20 0 EDADLP Cc1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)sc1C ZINC000894425104 591308726 /nfs/dbraw/zinc/30/87/26/591308726.db2.gz GBBCGFGZDLKADQ-GOOCMWNKSA-N 2 2 336.505 1.933 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)C3C[NH+](C4CCOCC4)C3)cn21 ZINC000896282662 591408420 /nfs/dbraw/zinc/40/84/20/591408420.db2.gz FUFHSSPBMZCSOK-UHFFFAOYSA-N 2 2 328.416 1.370 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccn4ccccc34)C2)CC1 ZINC000896325750 591418910 /nfs/dbraw/zinc/41/89/10/591418910.db2.gz SFTCMBNVHYCPMT-HNNXBMFYSA-N 2 2 326.444 1.838 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccn4ccccc34)C2)CC1 ZINC000896325750 591418913 /nfs/dbraw/zinc/41/89/13/591418913.db2.gz SFTCMBNVHYCPMT-HNNXBMFYSA-N 2 2 326.444 1.838 20 0 EDADLP CCC[N@H+](CC(N)=O)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894852337 591443771 /nfs/dbraw/zinc/44/37/71/591443771.db2.gz PCRPQYZZMQWRFZ-UHFFFAOYSA-N 2 2 343.374 1.767 20 0 EDADLP CCC[N@@H+](CC(N)=O)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894852337 591443773 /nfs/dbraw/zinc/44/37/73/591443773.db2.gz PCRPQYZZMQWRFZ-UHFFFAOYSA-N 2 2 343.374 1.767 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898620025 591444760 /nfs/dbraw/zinc/44/47/60/591444760.db2.gz GFBLFXKGUXAKOY-UHFFFAOYSA-N 2 2 329.404 1.877 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897482206 591488386 /nfs/dbraw/zinc/48/83/86/591488386.db2.gz NMDHTWPMMTYYLP-IAGOWNOFSA-N 2 2 345.491 1.954 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897482206 591488389 /nfs/dbraw/zinc/48/83/89/591488389.db2.gz NMDHTWPMMTYYLP-IAGOWNOFSA-N 2 2 345.491 1.954 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ncccn2)C2CC2)CC1 ZINC000896599370 591546559 /nfs/dbraw/zinc/54/65/59/591546559.db2.gz QPQOQVFZLONZCN-QGZVFWFLSA-N 2 2 332.448 1.935 20 0 EDADLP Cc1cc(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000895114972 591595878 /nfs/dbraw/zinc/59/58/78/591595878.db2.gz OTUUAXJEKQQYOS-HNNXBMFYSA-N 2 2 330.476 1.821 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000897691405 591625077 /nfs/dbraw/zinc/62/50/77/591625077.db2.gz BHIGKZXFEJTATG-GOSISDBHSA-N 2 2 346.431 1.796 20 0 EDADLP CC(C)c1cc(=O)[nH]c(N2CC[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000897705859 591633341 /nfs/dbraw/zinc/63/33/41/591633341.db2.gz GSDHWOISJLZIBX-CYBMUJFWSA-N 2 2 342.447 1.817 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000896897024 591661696 /nfs/dbraw/zinc/66/16/96/591661696.db2.gz GQVYWJYILUTXQI-OAHLLOKOSA-N 2 2 335.496 1.316 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC000896959977 591691794 /nfs/dbraw/zinc/69/17/94/591691794.db2.gz RMMDBKSJVZVJNT-WMLDXEAASA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC000896959977 591691797 /nfs/dbraw/zinc/69/17/97/591691797.db2.gz RMMDBKSJVZVJNT-WMLDXEAASA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000896959977 591691799 /nfs/dbraw/zinc/69/17/99/591691799.db2.gz RMMDBKSJVZVJNT-WMLDXEAASA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000896959977 591691802 /nfs/dbraw/zinc/69/18/02/591691802.db2.gz RMMDBKSJVZVJNT-WMLDXEAASA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896959977 591691804 /nfs/dbraw/zinc/69/18/04/591691804.db2.gz RMMDBKSJVZVJNT-WMLDXEAASA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000896959977 591691806 /nfs/dbraw/zinc/69/18/06/591691806.db2.gz RMMDBKSJVZVJNT-WMLDXEAASA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000896959977 591691809 /nfs/dbraw/zinc/69/18/09/591691809.db2.gz RMMDBKSJVZVJNT-WMLDXEAASA-N 2 2 333.480 1.884 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000896959977 591691811 /nfs/dbraw/zinc/69/18/11/591691811.db2.gz RMMDBKSJVZVJNT-WMLDXEAASA-N 2 2 333.480 1.884 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[nH]n1 ZINC000896978162 591698728 /nfs/dbraw/zinc/69/87/28/591698728.db2.gz FCESUKQCNKTYKU-WMLDXEAASA-N 2 2 347.463 1.160 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[nH]n1 ZINC000896978162 591698732 /nfs/dbraw/zinc/69/87/32/591698732.db2.gz FCESUKQCNKTYKU-WMLDXEAASA-N 2 2 347.463 1.160 20 0 EDADLP O=C1N[C@H](C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)CO1 ZINC000897018655 591713130 /nfs/dbraw/zinc/71/31/30/591713130.db2.gz HKGSHXAGKMWMHQ-INIZCTEOSA-N 2 2 327.388 1.588 20 0 EDADLP O=C1N[C@@H](C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)CO1 ZINC000897018660 591713258 /nfs/dbraw/zinc/71/32/58/591713258.db2.gz HKGSHXAGKMWMHQ-MRXNPFEDSA-N 2 2 327.388 1.588 20 0 EDADLP CCc1[nH]c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C(=O)OC ZINC000895353574 591725777 /nfs/dbraw/zinc/72/57/77/591725777.db2.gz VTGOGYXWRJEQEE-OAHLLOKOSA-N 2 2 337.464 1.906 20 0 EDADLP CCc1[nH]c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C(=O)OC ZINC000895353574 591725778 /nfs/dbraw/zinc/72/57/78/591725778.db2.gz VTGOGYXWRJEQEE-OAHLLOKOSA-N 2 2 337.464 1.906 20 0 EDADLP CC[C@H](C)[C@@H](C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)OC ZINC000895550888 591798107 /nfs/dbraw/zinc/79/81/07/591798107.db2.gz LOIIJSOUBWIBTB-JKSUJKDBSA-N 2 2 325.497 1.853 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)o2)CCN1c1cc[nH+]cc1 ZINC000895557469 591801300 /nfs/dbraw/zinc/80/13/00/591801300.db2.gz RHNCLGXZMJCAGZ-LBPRGKRZSA-N 2 2 336.417 1.033 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)o2)CCN1c1cc[nH+]cc1 ZINC000895557469 591801302 /nfs/dbraw/zinc/80/13/02/591801302.db2.gz RHNCLGXZMJCAGZ-LBPRGKRZSA-N 2 2 336.417 1.033 20 0 EDADLP CN(c1cccc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1)S(C)(=O)=O ZINC000898283033 591852313 /nfs/dbraw/zinc/85/23/13/591852313.db2.gz RPNOZWBDAAJGIA-UHFFFAOYSA-N 2 2 334.445 1.515 20 0 EDADLP O=C(CNc1cccc[nH+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000900012613 591862738 /nfs/dbraw/zinc/86/27/38/591862738.db2.gz CWVSRMVWTIPDDO-QGZVFWFLSA-N 2 2 340.427 1.511 20 0 EDADLP O=C(CNc1cccc[nH+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000900012613 591862741 /nfs/dbraw/zinc/86/27/41/591862741.db2.gz CWVSRMVWTIPDDO-QGZVFWFLSA-N 2 2 340.427 1.511 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898368123 591892362 /nfs/dbraw/zinc/89/23/62/591892362.db2.gz XBQQVZFJUZGCBM-LBPRGKRZSA-N 2 2 348.838 1.665 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)cn1 ZINC000900229261 591956508 /nfs/dbraw/zinc/95/65/08/591956508.db2.gz KAQIMJFTOXYYJO-FOWTUZBSSA-N 2 2 346.475 1.823 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)c[nH+]1 ZINC000900229261 591956511 /nfs/dbraw/zinc/95/65/11/591956511.db2.gz KAQIMJFTOXYYJO-FOWTUZBSSA-N 2 2 346.475 1.823 20 0 EDADLP COc1cc(OC)cc([C@@H](N[C@@H](C)C2([NH3+])CC2)c2[nH+]ccn2C)c1 ZINC000902337062 591980670 /nfs/dbraw/zinc/98/06/70/591980670.db2.gz YETMUBJFKJWTFH-BLLLJJGKSA-N 2 2 330.432 1.996 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000899928690 591984568 /nfs/dbraw/zinc/98/45/68/591984568.db2.gz MYTDDHFNOYKMBA-UHFFFAOYSA-N 2 2 343.431 1.057 20 0 EDADLP C/C(=C/C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900321456 591990297 /nfs/dbraw/zinc/99/02/97/591990297.db2.gz TZTLQXFCRMVNCG-KPZQXCMVSA-N 2 2 337.508 1.892 20 0 EDADLP C/C(=C\C(=O)NCC[NH+]1Cc2ccccc2C1)C[NH+]1CCOCC1 ZINC000900367362 591998306 /nfs/dbraw/zinc/99/83/06/591998306.db2.gz OPAGYUULFMKHMO-FOWTUZBSSA-N 2 2 329.444 1.397 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@]3(C2)CCCC[NH2+]3)nc[nH+]1 ZINC000900400879 592008596 /nfs/dbraw/zinc/00/85/96/592008596.db2.gz DDUCEESJNWQXHK-YJBOKZPZSA-N 2 2 331.464 1.550 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CCCN2c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000900410399 592010558 /nfs/dbraw/zinc/01/05/58/592010558.db2.gz DWJSXWIOXCYBGJ-IIDMSEBBSA-N 2 2 331.464 1.393 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000900445866 592029033 /nfs/dbraw/zinc/02/90/33/592029033.db2.gz HOXATGSGAFTSDA-CABCVRRESA-N 2 2 348.447 1.738 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000900445866 592029036 /nfs/dbraw/zinc/02/90/36/592029036.db2.gz HOXATGSGAFTSDA-CABCVRRESA-N 2 2 348.447 1.738 20 0 EDADLP C/C(=C/C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900656491 592082451 /nfs/dbraw/zinc/08/24/51/592082451.db2.gz UWEPFWZHYFSODZ-MTMYEVCSSA-N 2 2 345.487 1.902 20 0 EDADLP C/C(=C/C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900656491 592082454 /nfs/dbraw/zinc/08/24/54/592082454.db2.gz UWEPFWZHYFSODZ-MTMYEVCSSA-N 2 2 345.487 1.902 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000900755609 592107400 /nfs/dbraw/zinc/10/74/00/592107400.db2.gz QUACZCUQMOJSDA-UHFFFAOYSA-N 2 2 333.480 1.416 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CNc2cccc[nH+]2)[C@@H](C)C1 ZINC000900731247 592110937 /nfs/dbraw/zinc/11/09/37/592110937.db2.gz JUJDUWUDLJFXDF-JKSUJKDBSA-N 2 2 334.464 1.747 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)CNc2cccc[nH+]2)[C@@H](C)C1 ZINC000900731247 592110938 /nfs/dbraw/zinc/11/09/38/592110938.db2.gz JUJDUWUDLJFXDF-JKSUJKDBSA-N 2 2 334.464 1.747 20 0 EDADLP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903098513 592120259 /nfs/dbraw/zinc/12/02/59/592120259.db2.gz PUWRXNWHGUPFAS-FQVATPOOSA-N 3 2 348.535 1.140 20 0 EDADLP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903098513 592120260 /nfs/dbraw/zinc/12/02/60/592120260.db2.gz PUWRXNWHGUPFAS-FQVATPOOSA-N 3 2 348.535 1.140 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300517 592153407 /nfs/dbraw/zinc/15/34/07/592153407.db2.gz JQGGIWKTHFYJJF-GVRJEKJASA-N 2 2 341.496 1.987 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300517 592153410 /nfs/dbraw/zinc/15/34/10/592153410.db2.gz JQGGIWKTHFYJJF-GVRJEKJASA-N 2 2 341.496 1.987 20 0 EDADLP C/C(=C\C(=O)N1CC[N@@H+](C)CC12CCCCC2)C[NH+]1CCOCC1 ZINC000900905147 592167237 /nfs/dbraw/zinc/16/72/37/592167237.db2.gz YJKSVWXYPKUJLH-SAPNQHFASA-N 2 2 335.492 1.742 20 0 EDADLP C/C(=C\C(=O)N1CC[N@H+](C)CC12CCCCC2)C[NH+]1CCOCC1 ZINC000900905147 592167240 /nfs/dbraw/zinc/16/72/40/592167240.db2.gz YJKSVWXYPKUJLH-SAPNQHFASA-N 2 2 335.492 1.742 20 0 EDADLP CS(=O)(=O)N(CC[NH2+][C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000903471478 592175663 /nfs/dbraw/zinc/17/56/63/592175663.db2.gz JPJBSZMDFDCPLR-INIZCTEOSA-N 2 2 337.489 1.322 20 0 EDADLP COCc1ccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903486046 592177103 /nfs/dbraw/zinc/17/71/03/592177103.db2.gz RRRSHNGQBGMDRY-QGZVFWFLSA-N 2 2 331.460 1.714 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510910 592190513 /nfs/dbraw/zinc/19/05/13/592190513.db2.gz UHGDSUWMEQQYHE-QRQLOZEOSA-N 2 2 348.535 1.678 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510910 592190514 /nfs/dbraw/zinc/19/05/14/592190514.db2.gz UHGDSUWMEQQYHE-QRQLOZEOSA-N 2 2 348.535 1.678 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000901105652 592248076 /nfs/dbraw/zinc/24/80/76/592248076.db2.gz IYVAKTQDGDIYDZ-IBGZPJMESA-N 2 2 349.450 1.317 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000901105652 592248082 /nfs/dbraw/zinc/24/80/82/592248082.db2.gz IYVAKTQDGDIYDZ-IBGZPJMESA-N 2 2 349.450 1.317 20 0 EDADLP CCOc1cc(CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)ccc1OC ZINC000904494940 592266881 /nfs/dbraw/zinc/26/68/81/592266881.db2.gz LPFKDHIECQYPIG-HUUCEWRRSA-N 2 2 330.432 1.754 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906659391 592268757 /nfs/dbraw/zinc/26/87/57/592268757.db2.gz GGQVANNDBRIYQI-UHFFFAOYSA-N 2 2 336.480 1.282 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906659391 592268760 /nfs/dbraw/zinc/26/87/60/592268760.db2.gz GGQVANNDBRIYQI-UHFFFAOYSA-N 2 2 336.480 1.282 20 0 EDADLP O=C(c1ccsc1)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903723035 592283844 /nfs/dbraw/zinc/28/38/44/592283844.db2.gz SICJUSJZKZEPSG-MRXNPFEDSA-N 2 2 349.500 1.665 20 0 EDADLP [NH3+]C1(CNC(=O)Nc2cc3n(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000904541489 592284035 /nfs/dbraw/zinc/28/40/35/592284035.db2.gz XCXLIAYXZIGMBB-UHFFFAOYSA-N 2 2 340.431 1.512 20 0 EDADLP [NH3+]C1(CNC(=O)Nc2cc3n(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000904541489 592284038 /nfs/dbraw/zinc/28/40/38/592284038.db2.gz XCXLIAYXZIGMBB-UHFFFAOYSA-N 2 2 340.431 1.512 20 0 EDADLP Cn1cc[nH+]c1CN(C[C@H]1CCCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000903746066 592293279 /nfs/dbraw/zinc/29/32/79/592293279.db2.gz VNKIDDNVUYZACB-DLBZAZTESA-N 3 2 331.508 1.754 20 0 EDADLP Cn1ccnc1C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC12CC[NH2+]CC2 ZINC000903746482 592293392 /nfs/dbraw/zinc/29/33/92/592293392.db2.gz ZGMLBPBGWYWYKK-QZWWFDLISA-N 2 2 346.475 1.168 20 0 EDADLP Cn1ccnc1C[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC12CC[NH2+]CC2 ZINC000903746482 592293395 /nfs/dbraw/zinc/29/33/95/592293395.db2.gz ZGMLBPBGWYWYKK-QZWWFDLISA-N 2 2 346.475 1.168 20 0 EDADLP CCO[C@@H]1C[NH2+][C@H](c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)C1 ZINC000904614634 592296165 /nfs/dbraw/zinc/29/61/65/592296165.db2.gz GLORQNMMPVHECE-AAEUAGOBSA-N 2 2 326.360 1.757 20 0 EDADLP CCO[C@H](C)c1noc(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903735179 592297513 /nfs/dbraw/zinc/29/75/13/592297513.db2.gz YJDZUNKNQJUXQI-ZIAGYGMSSA-N 2 2 338.452 1.758 20 0 EDADLP CCO[C@H](C)c1noc(C[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903735179 592297516 /nfs/dbraw/zinc/29/75/16/592297516.db2.gz YJDZUNKNQJUXQI-ZIAGYGMSSA-N 2 2 338.452 1.758 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769692 592311292 /nfs/dbraw/zinc/31/12/92/592311292.db2.gz MDNZUIBWKAZRPG-KRWDZBQOSA-N 3 2 337.508 1.332 20 0 EDADLP Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903755701 592313568 /nfs/dbraw/zinc/31/35/68/592313568.db2.gz KOIREUDPUATPRS-KVSKMBFKSA-N 2 2 329.444 1.237 20 0 EDADLP Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903755701 592313572 /nfs/dbraw/zinc/31/35/72/592313572.db2.gz KOIREUDPUATPRS-KVSKMBFKSA-N 2 2 329.444 1.237 20 0 EDADLP Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903755708 592313871 /nfs/dbraw/zinc/31/38/71/592313871.db2.gz KOIREUDPUATPRS-WDYCEAGBSA-N 2 2 329.444 1.237 20 0 EDADLP Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903755708 592313876 /nfs/dbraw/zinc/31/38/76/592313876.db2.gz KOIREUDPUATPRS-WDYCEAGBSA-N 2 2 329.444 1.237 20 0 EDADLP COCc1n[nH]c([C@@H]2CCCC[N@@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)n1 ZINC000903758800 592314874 /nfs/dbraw/zinc/31/48/74/592314874.db2.gz MSAYKDMKIWXBAX-JKIFEVAISA-N 2 2 335.452 1.247 20 0 EDADLP COCc1n[nH]c([C@@H]2CCCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)n1 ZINC000903758800 592314879 /nfs/dbraw/zinc/31/48/79/592314879.db2.gz MSAYKDMKIWXBAX-JKIFEVAISA-N 2 2 335.452 1.247 20 0 EDADLP Cc1csc2nc(C[N@@H+]3CC[NH2+]CCC34CCOCC4)cc(=O)n12 ZINC000903814718 592324024 /nfs/dbraw/zinc/32/40/24/592324024.db2.gz HMTACNQRPBBBOB-UHFFFAOYSA-N 2 2 348.472 1.409 20 0 EDADLP Cc1csc2nc(C[N@H+]3CC[NH2+]CCC34CCOCC4)cc(=O)n12 ZINC000903814718 592324029 /nfs/dbraw/zinc/32/40/29/592324029.db2.gz HMTACNQRPBBBOB-UHFFFAOYSA-N 2 2 348.472 1.409 20 0 EDADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000901321661 592340517 /nfs/dbraw/zinc/34/05/17/592340517.db2.gz WVQJPPZJYRUUQX-GOSISDBHSA-N 2 2 328.416 1.335 20 0 EDADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000901321661 592340520 /nfs/dbraw/zinc/34/05/20/592340520.db2.gz WVQJPPZJYRUUQX-GOSISDBHSA-N 2 2 328.416 1.335 20 0 EDADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000903877749 592359389 /nfs/dbraw/zinc/35/93/89/592359389.db2.gz PJWBKDOVMCGWAP-OAHLLOKOSA-N 2 2 325.403 1.997 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)cnn1C ZINC000903897773 592367945 /nfs/dbraw/zinc/36/79/45/592367945.db2.gz GDPNFPCKQVPBCF-KBPBESRZSA-N 2 2 347.429 1.414 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906849465 592370264 /nfs/dbraw/zinc/37/02/64/592370264.db2.gz VFMHLYHHIWNPOT-KRWDZBQOSA-N 2 2 348.491 1.377 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cnn1C ZINC000903903892 592371705 /nfs/dbraw/zinc/37/17/05/592371705.db2.gz YJQZEKNRKGGIMM-AZUAARDMSA-N 2 2 342.487 1.789 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cnn1C ZINC000903903892 592371708 /nfs/dbraw/zinc/37/17/08/592371708.db2.gz YJQZEKNRKGGIMM-AZUAARDMSA-N 2 2 342.487 1.789 20 0 EDADLP O[C@H](C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1(O)CCC1 ZINC000905035004 592372514 /nfs/dbraw/zinc/37/25/14/592372514.db2.gz NCRSWRGNXBGKKJ-GOSISDBHSA-N 2 2 333.476 1.064 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903937071 592388178 /nfs/dbraw/zinc/38/81/78/592388178.db2.gz ASWVIFVLJOYGLU-ALOPSCKCSA-N 3 2 334.508 1.323 20 0 EDADLP CC[NH+](CC)CCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000905079933 592388502 /nfs/dbraw/zinc/38/85/02/592388502.db2.gz HNYALAQSDTWYPA-UHFFFAOYSA-N 2 2 336.480 1.282 20 0 EDADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908251618 592407166 /nfs/dbraw/zinc/40/71/66/592407166.db2.gz IIINPAQDDFPVGN-YJBOKZPZSA-N 2 2 334.464 1.803 20 0 EDADLP CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908251618 592407172 /nfs/dbraw/zinc/40/71/72/592407172.db2.gz IIINPAQDDFPVGN-YJBOKZPZSA-N 2 2 334.464 1.803 20 0 EDADLP c1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)oc1C[NH+]1CCOCC1 ZINC000904076247 592421591 /nfs/dbraw/zinc/42/15/91/592421591.db2.gz YTVVPALQQDJLAX-ZDUSSCGKSA-N 2 2 332.404 1.704 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000905261688 592480948 /nfs/dbraw/zinc/48/09/48/592480948.db2.gz CYWJEKPCLSWKAI-PMUMKWKESA-N 2 2 335.448 1.731 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000905261688 592480950 /nfs/dbraw/zinc/48/09/50/592480950.db2.gz CYWJEKPCLSWKAI-PMUMKWKESA-N 2 2 335.448 1.731 20 0 EDADLP CC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000905554272 592564752 /nfs/dbraw/zinc/56/47/52/592564752.db2.gz WIVHJXIDLCUICI-UXHICEINSA-N 2 2 347.503 1.106 20 0 EDADLP CC[C@H](CN1CCOCC1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000905554272 592564756 /nfs/dbraw/zinc/56/47/56/592564756.db2.gz WIVHJXIDLCUICI-UXHICEINSA-N 2 2 347.503 1.106 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)COCc1cccs1 ZINC000905619856 592587508 /nfs/dbraw/zinc/58/75/08/592587508.db2.gz AWNZTLUWGLWYEH-HOTGVXAUSA-N 2 2 340.489 1.469 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)COCc1cccs1 ZINC000905619856 592587512 /nfs/dbraw/zinc/58/75/12/592587512.db2.gz AWNZTLUWGLWYEH-HOTGVXAUSA-N 2 2 340.489 1.469 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1nc(C[NH+](C)C)cs1 ZINC000905620315 592588236 /nfs/dbraw/zinc/58/82/36/592588236.db2.gz ZICOBWKCWYUELV-ZDUSSCGKSA-N 2 2 341.550 1.653 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1nc(C[NH+](C)C)cs1 ZINC000905620315 592588238 /nfs/dbraw/zinc/58/82/38/592588238.db2.gz ZICOBWKCWYUELV-ZDUSSCGKSA-N 2 2 341.550 1.653 20 0 EDADLP CN(c1cc(N2CCCC[C@@H]2CO)[nH+]cn1)C1(C[NH3+])CCCCC1 ZINC000905657930 592599186 /nfs/dbraw/zinc/59/91/86/592599186.db2.gz QUNUDWOIOWDJPI-OAHLLOKOSA-N 2 2 333.480 1.926 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1CCNc1[nH+]cnc2c1c(Br)nn2C ZINC000905691929 592606367 /nfs/dbraw/zinc/60/63/67/592606367.db2.gz QYBKWISZFBUIQH-RKDXNWHRSA-N 2 2 339.241 1.783 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCCC[C@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000905677823 592609568 /nfs/dbraw/zinc/60/95/68/592609568.db2.gz AHBVAACTLOIMTP-VQIMIIECSA-N 2 2 345.491 1.655 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCCC[C@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000905677823 592609569 /nfs/dbraw/zinc/60/95/69/592609569.db2.gz AHBVAACTLOIMTP-VQIMIIECSA-N 2 2 345.491 1.655 20 0 EDADLP OCC1(C[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000905913021 592679596 /nfs/dbraw/zinc/67/95/96/592679596.db2.gz UBLQWZVIAWOTEO-LJQANCHMSA-N 2 2 347.503 1.939 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907740445 592766658 /nfs/dbraw/zinc/76/66/58/592766658.db2.gz KLAXGGRBMGBUJB-GOSISDBHSA-N 2 2 336.480 1.531 20 0 EDADLP CC[C@H](C(=O)NCc1ccc(CC[NH3+])cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911734254 592992549 /nfs/dbraw/zinc/99/25/49/592992549.db2.gz LTOPZRJGYXIJRY-ZWKOTPCHSA-N 2 2 333.476 1.693 20 0 EDADLP CC[C@H](C(=O)NCc1ccc(CC[NH3+])cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911734254 592992551 /nfs/dbraw/zinc/99/25/51/592992551.db2.gz LTOPZRJGYXIJRY-ZWKOTPCHSA-N 2 2 333.476 1.693 20 0 EDADLP C[C@@]1(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C[NH+]2CCC1CC2 ZINC000912374625 593091286 /nfs/dbraw/zinc/09/12/86/593091286.db2.gz OEWWHQWHHQMOIU-GXTWGEPZSA-N 2 2 330.354 1.977 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CCn2cc[nH+]c2C1 ZINC000738990076 593166327 /nfs/dbraw/zinc/16/63/27/593166327.db2.gz QMSAADBJAHENAG-UHFFFAOYSA-N 2 2 337.387 1.498 20 0 EDADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000838872009 593227942 /nfs/dbraw/zinc/22/79/42/593227942.db2.gz ZIQVJTQLRZRLOU-UKRRQHHQSA-N 2 2 338.452 1.577 20 0 EDADLP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000838872009 593227943 /nfs/dbraw/zinc/22/79/43/593227943.db2.gz ZIQVJTQLRZRLOU-UKRRQHHQSA-N 2 2 338.452 1.577 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000839527382 593315801 /nfs/dbraw/zinc/31/58/01/593315801.db2.gz MIQNZVPRCJCZKX-MSOLQXFVSA-N 2 2 331.460 1.524 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000839527382 593315803 /nfs/dbraw/zinc/31/58/03/593315803.db2.gz MIQNZVPRCJCZKX-MSOLQXFVSA-N 2 2 331.460 1.524 20 0 EDADLP CC(C)C[N@@H+](Cc1cnn(C)c1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000840160230 593318174 /nfs/dbraw/zinc/31/81/74/593318174.db2.gz NLENWABDOYTGQT-INIZCTEOSA-N 2 2 344.463 1.585 20 0 EDADLP CC(C)C[N@H+](Cc1cnn(C)c1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000840160230 593318176 /nfs/dbraw/zinc/31/81/76/593318176.db2.gz NLENWABDOYTGQT-INIZCTEOSA-N 2 2 344.463 1.585 20 0 EDADLP COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000839677753 593369290 /nfs/dbraw/zinc/36/92/90/593369290.db2.gz WBPNPBWVWNWNPC-AWEZNQCLSA-N 2 2 332.429 1.605 20 0 EDADLP COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000839677753 593369292 /nfs/dbraw/zinc/36/92/92/593369292.db2.gz WBPNPBWVWNWNPC-AWEZNQCLSA-N 2 2 332.429 1.605 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000840029095 593393028 /nfs/dbraw/zinc/39/30/28/593393028.db2.gz RTPUGJUXDGEEIR-OOBKVVHMSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000840029095 593393031 /nfs/dbraw/zinc/39/30/31/593393031.db2.gz RTPUGJUXDGEEIR-OOBKVVHMSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000840029095 593393033 /nfs/dbraw/zinc/39/30/33/593393033.db2.gz RTPUGJUXDGEEIR-OOBKVVHMSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000840029095 593393036 /nfs/dbraw/zinc/39/30/36/593393036.db2.gz RTPUGJUXDGEEIR-OOBKVVHMSA-N 2 2 345.487 1.781 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C(=O)[C@@]12CCCO2 ZINC000840031158 593395350 /nfs/dbraw/zinc/39/53/50/593395350.db2.gz NOQVDBLCOGDLAY-VUHPKUFZSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C(=O)[C@@]12CCCO2 ZINC000840031158 593395352 /nfs/dbraw/zinc/39/53/52/593395352.db2.gz NOQVDBLCOGDLAY-VUHPKUFZSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C(=O)[C@@]12CCCO2 ZINC000840031158 593395354 /nfs/dbraw/zinc/39/53/54/593395354.db2.gz NOQVDBLCOGDLAY-VUHPKUFZSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C(=O)[C@@]12CCCO2 ZINC000840031158 593395356 /nfs/dbraw/zinc/39/53/56/593395356.db2.gz NOQVDBLCOGDLAY-VUHPKUFZSA-N 2 2 335.492 1.776 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CN3C[C@@H](C)[C@@H](C)C3=O)CC2)CC1 ZINC000840031523 593395573 /nfs/dbraw/zinc/39/55/73/593395573.db2.gz QXXCPEXGRBTQTF-IAGOWNOFSA-N 2 2 336.524 1.549 20 0 EDADLP OCC1([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)CCOCC1 ZINC000816657102 593537804 /nfs/dbraw/zinc/53/78/04/593537804.db2.gz KHAVNRFCVNEKMJ-GOSISDBHSA-N 2 2 342.443 1.925 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000817889545 593645438 /nfs/dbraw/zinc/64/54/38/593645438.db2.gz OZURDIBLPQRPGB-SJLPKXTDSA-N 3 2 327.432 1.432 20 0 EDADLP O[C@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)COCc1ccccc1 ZINC000818946929 593729703 /nfs/dbraw/zinc/72/97/03/593729703.db2.gz HBNYVOXVNVZBKX-GOSISDBHSA-N 2 2 338.411 1.935 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000819153788 593741782 /nfs/dbraw/zinc/74/17/82/593741782.db2.gz NIIWUBYGTSUEOC-BPLDGKMQSA-N 2 2 327.469 1.334 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000819153788 593741783 /nfs/dbraw/zinc/74/17/83/593741783.db2.gz NIIWUBYGTSUEOC-BPLDGKMQSA-N 2 2 327.469 1.334 20 0 EDADLP Cc1ccccc1[C@@H](O)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000819222288 593745387 /nfs/dbraw/zinc/74/53/87/593745387.db2.gz OQCBRGWDEFSLQF-IRXDYDNUSA-N 2 2 342.443 1.543 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cccc3ncccc23)CC1 ZINC000820608983 593843987 /nfs/dbraw/zinc/84/39/87/593843987.db2.gz PPBQVYXBHXGDDQ-UHFFFAOYSA-N 2 2 340.471 1.920 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(C)(C)O ZINC000824544967 594036248 /nfs/dbraw/zinc/03/62/48/594036248.db2.gz ASWNBRITDRNVSP-ZDUSSCGKSA-N 2 2 344.463 1.580 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC000824958402 594105417 /nfs/dbraw/zinc/10/54/17/594105417.db2.gz XOLNVCFLOOMTGH-UHFFFAOYSA-N 2 2 334.464 1.279 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC000824958402 594105419 /nfs/dbraw/zinc/10/54/19/594105419.db2.gz XOLNVCFLOOMTGH-UHFFFAOYSA-N 2 2 334.464 1.279 20 0 EDADLP CCc1[nH+]c2ccccc2n1Cc1noc([C@]2(COC)CC[NH2+]C2)n1 ZINC000823011764 594136762 /nfs/dbraw/zinc/13/67/62/594136762.db2.gz IQZXGCSNWIWYKH-GOSISDBHSA-N 2 2 341.415 1.908 20 0 EDADLP CCOC(=O)[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C(C)C ZINC000825266980 594158670 /nfs/dbraw/zinc/15/86/70/594158670.db2.gz GPYXEUAZDGJHJO-INIZCTEOSA-N 2 2 348.447 1.607 20 0 EDADLP CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000825278681 594160586 /nfs/dbraw/zinc/16/05/86/594160586.db2.gz HTWXELQWAUFMDB-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000825278681 594160587 /nfs/dbraw/zinc/16/05/87/594160587.db2.gz HTWXELQWAUFMDB-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP Cc1cnccc1/C=C\C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823282547 594179816 /nfs/dbraw/zinc/17/98/16/594179816.db2.gz SCJCAGHDLAZGLX-CWIOURORSA-N 2 2 328.460 1.688 20 0 EDADLP Cc1cnccc1/C=C\C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823282547 594179818 /nfs/dbraw/zinc/17/98/18/594179818.db2.gz SCJCAGHDLAZGLX-CWIOURORSA-N 2 2 328.460 1.688 20 0 EDADLP CCCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H]1CC[N@H+](C)C1 ZINC000825709921 594230371 /nfs/dbraw/zinc/23/03/71/594230371.db2.gz WCIAXRJDPBJXDN-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CCCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](C)C1 ZINC000825709921 594230374 /nfs/dbraw/zinc/23/03/74/594230374.db2.gz WCIAXRJDPBJXDN-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000826169019 594360112 /nfs/dbraw/zinc/36/01/12/594360112.db2.gz GALAMQIFJBIDTN-UHFFFAOYSA-N 2 2 339.403 1.978 20 0 EDADLP Cc1ccnc(NCC[NH+]2CCC([NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC000826313643 594420568 /nfs/dbraw/zinc/42/05/68/594420568.db2.gz ODIPEZIXGKYCIO-UHFFFAOYSA-N 2 2 330.440 1.008 20 0 EDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC000826513266 594512156 /nfs/dbraw/zinc/51/21/56/594512156.db2.gz GFWMYVZMTCJXQT-UHFFFAOYSA-N 2 2 342.447 1.600 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826515110 594512778 /nfs/dbraw/zinc/51/27/78/594512778.db2.gz NFHLCECEIYEJRC-SWLSCSKDSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000826515110 594512781 /nfs/dbraw/zinc/51/27/81/594512781.db2.gz NFHLCECEIYEJRC-SWLSCSKDSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000826515110 594512785 /nfs/dbraw/zinc/51/27/85/594512785.db2.gz NFHLCECEIYEJRC-SWLSCSKDSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000826515110 594512787 /nfs/dbraw/zinc/51/27/87/594512787.db2.gz NFHLCECEIYEJRC-SWLSCSKDSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(-c2nn[nH]n2)n1 ZINC000826516094 594514104 /nfs/dbraw/zinc/51/41/04/594514104.db2.gz WOCOMTIEYFSKAU-WMLDXEAASA-N 2 2 339.447 1.710 20 0 EDADLP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(-c2nn[nH]n2)n1 ZINC000826516094 594514105 /nfs/dbraw/zinc/51/41/05/594514105.db2.gz WOCOMTIEYFSKAU-WMLDXEAASA-N 2 2 339.447 1.710 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)cc2C1 ZINC000829445768 594614539 /nfs/dbraw/zinc/61/45/39/594614539.db2.gz DEXNAUZNRZQAEY-UHFFFAOYSA-N 2 2 347.463 1.302 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)cc2C1 ZINC000829445768 594614541 /nfs/dbraw/zinc/61/45/41/594614541.db2.gz DEXNAUZNRZQAEY-UHFFFAOYSA-N 2 2 347.463 1.302 20 0 EDADLP [NH3+]CCOc1cccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000841283322 594881149 /nfs/dbraw/zinc/88/11/49/594881149.db2.gz YTSAQGHWDZHKOC-IYBDPMFKSA-N 2 2 334.420 1.009 20 0 EDADLP [NH3+]CCOc1cccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000841283322 594881151 /nfs/dbraw/zinc/88/11/51/594881151.db2.gz YTSAQGHWDZHKOC-IYBDPMFKSA-N 2 2 334.420 1.009 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000841672635 594933588 /nfs/dbraw/zinc/93/35/88/594933588.db2.gz LCYJGNJZRHZZCD-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000841727701 594944732 /nfs/dbraw/zinc/94/47/32/594944732.db2.gz WLHLYVPIZPMTAM-QWHCGFSZSA-N 2 2 328.420 1.468 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000841993298 594997332 /nfs/dbraw/zinc/99/73/32/594997332.db2.gz BEEVYNAUJIIVGW-ZDUSSCGKSA-N 2 2 341.525 1.713 20 0 EDADLP C/C(=C\C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1OC(F)F ZINC000834299471 595085573 /nfs/dbraw/zinc/08/55/73/595085573.db2.gz QVRWGUGKKABTKZ-CNELAYHGSA-N 2 2 339.386 1.793 20 0 EDADLP C/C(=C\C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1OC(F)F ZINC000834299471 595085578 /nfs/dbraw/zinc/08/55/78/595085578.db2.gz QVRWGUGKKABTKZ-CNELAYHGSA-N 2 2 339.386 1.793 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000843368837 595089749 /nfs/dbraw/zinc/08/97/49/595089749.db2.gz ZYNUMVRPUOHWQA-UHFFFAOYSA-N 2 2 332.448 1.482 20 0 EDADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867411064 595201207 /nfs/dbraw/zinc/20/12/07/595201207.db2.gz IQGVMEOQNNNRFT-RDJZCZTQSA-N 2 2 328.416 1.566 20 0 EDADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867411064 595201210 /nfs/dbraw/zinc/20/12/10/595201210.db2.gz IQGVMEOQNNNRFT-RDJZCZTQSA-N 2 2 328.416 1.566 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000844134323 595282477 /nfs/dbraw/zinc/28/24/77/595282477.db2.gz ISPNGKMYAWOUPM-WMLDXEAASA-N 2 2 332.448 1.205 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000843108297 595288613 /nfs/dbraw/zinc/28/86/13/595288613.db2.gz NRAVUCFHMGCBEO-UXHICEINSA-N 2 2 344.430 1.868 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000843108297 595288614 /nfs/dbraw/zinc/28/86/14/595288614.db2.gz NRAVUCFHMGCBEO-UXHICEINSA-N 2 2 344.430 1.868 20 0 EDADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000844169443 595289809 /nfs/dbraw/zinc/28/98/09/595289809.db2.gz DEZOHPYCGLBWQS-MRXNPFEDSA-N 2 2 332.448 1.457 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000844169838 595289833 /nfs/dbraw/zinc/28/98/33/595289833.db2.gz CCLFDJBNWOFERO-IUODEOHRSA-N 2 2 330.436 1.528 20 0 EDADLP c1cn(-c2ccc(-c3noc(C[C@@H]4CSCC[NH2+]4)n3)cn2)c[nH+]1 ZINC000843173815 595299273 /nfs/dbraw/zinc/29/92/73/595299273.db2.gz UDTCDVLSUNWHCL-GFCCVEGCSA-N 2 2 328.401 1.565 20 0 EDADLP Cc1ccc(N(C)[C@H]2CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)cc1 ZINC000846681430 595300735 /nfs/dbraw/zinc/30/07/35/595300735.db2.gz HKCBWJHAXUCXKN-ROUUACIJSA-N 2 2 332.492 1.701 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844220385 595305592 /nfs/dbraw/zinc/30/55/92/595305592.db2.gz VPIRFMXQMDSURX-CVEARBPZSA-N 2 2 346.475 1.521 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844220385 595305593 /nfs/dbraw/zinc/30/55/93/595305593.db2.gz VPIRFMXQMDSURX-CVEARBPZSA-N 2 2 346.475 1.521 20 0 EDADLP C[NH2+]CCC1CC[NH+](CC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)CC1 ZINC000844222905 595307241 /nfs/dbraw/zinc/30/72/41/595307241.db2.gz NEZWEHFQWCTMCU-CQSZACIVSA-N 2 2 333.480 1.536 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc(N2CCOCC2)cc1 ZINC000844225569 595309351 /nfs/dbraw/zinc/30/93/51/595309351.db2.gz RKNWPYHDHGHETA-QAPCUYQASA-N 2 2 344.459 1.146 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc(N2CCOCC2)cc1 ZINC000844225569 595309352 /nfs/dbraw/zinc/30/93/52/595309352.db2.gz RKNWPYHDHGHETA-QAPCUYQASA-N 2 2 344.459 1.146 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327359 595325572 /nfs/dbraw/zinc/32/55/72/595325572.db2.gz QCJMSGXOLIXNCY-ZFWWWQNUSA-N 2 2 335.473 1.615 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327359 595325575 /nfs/dbraw/zinc/32/55/75/595325575.db2.gz QCJMSGXOLIXNCY-ZFWWWQNUSA-N 2 2 335.473 1.615 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327359 595325578 /nfs/dbraw/zinc/32/55/78/595325578.db2.gz QCJMSGXOLIXNCY-ZFWWWQNUSA-N 2 2 335.473 1.615 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327359 595325581 /nfs/dbraw/zinc/32/55/81/595325581.db2.gz QCJMSGXOLIXNCY-ZFWWWQNUSA-N 2 2 335.473 1.615 20 0 EDADLP Cn1c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cnc1Cl ZINC000848539442 595404020 /nfs/dbraw/zinc/40/40/20/595404020.db2.gz SFSZBQKGGKUWBI-KRWDZBQOSA-N 2 2 334.851 1.800 20 0 EDADLP Cn1c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnc1Cl ZINC000848539442 595404022 /nfs/dbraw/zinc/40/40/22/595404022.db2.gz SFSZBQKGGKUWBI-KRWDZBQOSA-N 2 2 334.851 1.800 20 0 EDADLP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848545964 595404253 /nfs/dbraw/zinc/40/42/53/595404253.db2.gz OMZJQOFKQGIKMK-HIFRSBDPSA-N 2 2 327.469 1.743 20 0 EDADLP NC(=O)OC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848554402 595405069 /nfs/dbraw/zinc/40/50/69/595405069.db2.gz ZVHVBYKDAGJHLS-ZWKOTPCHSA-N 2 2 347.459 1.950 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000847381546 595408307 /nfs/dbraw/zinc/40/83/07/595408307.db2.gz ALVISXFSBDBPON-HNNXBMFYSA-N 2 2 332.452 1.486 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000848780575 595446412 /nfs/dbraw/zinc/44/64/12/595446412.db2.gz SOPUCRXZLRUMSZ-AWEZNQCLSA-N 2 2 344.415 1.352 20 0 EDADLP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000849009947 595474667 /nfs/dbraw/zinc/47/46/67/595474667.db2.gz NMXGTVVZJOZMSD-FUHWJXTLSA-N 2 2 345.491 1.490 20 0 EDADLP Cc1ccc(CNC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000849055219 595476190 /nfs/dbraw/zinc/47/61/90/595476190.db2.gz WRQMWOYDHAPJQD-GOSISDBHSA-N 2 2 331.508 1.881 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)n1 ZINC000849429230 595525055 /nfs/dbraw/zinc/52/50/55/595525055.db2.gz LNNZAZYLFYUWMF-UHFFFAOYSA-N 2 2 348.900 1.205 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Cl)n1 ZINC000849429230 595525056 /nfs/dbraw/zinc/52/50/56/595525056.db2.gz LNNZAZYLFYUWMF-UHFFFAOYSA-N 2 2 348.900 1.205 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-n2cccc2)nc1 ZINC000855414393 595703757 /nfs/dbraw/zinc/70/37/57/595703757.db2.gz CPDBYMTYTQILCF-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-n2cccc2)nc1 ZINC000855414393 595703759 /nfs/dbraw/zinc/70/37/59/595703759.db2.gz CPDBYMTYTQILCF-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP COc1ccccc1C(F)(F)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417754 595706773 /nfs/dbraw/zinc/70/67/73/595706773.db2.gz OJYYWQKLEIUUOA-UHFFFAOYSA-N 2 2 343.418 1.787 20 0 EDADLP COc1ccccc1C(F)(F)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417754 595706776 /nfs/dbraw/zinc/70/67/76/595706776.db2.gz OJYYWQKLEIUUOA-UHFFFAOYSA-N 2 2 343.418 1.787 20 0 EDADLP OCc1cc(NCc2cccc(OCC[NH+]3CCOCC3)c2)cc[nH+]1 ZINC000858365917 595775330 /nfs/dbraw/zinc/77/53/30/595775330.db2.gz UZCQDAKKUDYUFV-UHFFFAOYSA-N 2 2 343.427 1.897 20 0 EDADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000858549421 595825748 /nfs/dbraw/zinc/82/57/48/595825748.db2.gz VGDUBUIVTAPTTF-GOEBONIOSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000858549421 595825751 /nfs/dbraw/zinc/82/57/51/595825751.db2.gz VGDUBUIVTAPTTF-GOEBONIOSA-N 2 2 341.496 1.678 20 0 EDADLP c1cc(N2CCCC2)nc(N2CCC([N@@H+]3CCCOCC3)CC2)[nH+]1 ZINC000853688431 595856144 /nfs/dbraw/zinc/85/61/44/595856144.db2.gz OCQJHDYMVFFPHB-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP c1cc(N2CCCC2)nc(N2CCC([N@H+]3CCCOCC3)CC2)[nH+]1 ZINC000853688431 595856145 /nfs/dbraw/zinc/85/61/45/595856145.db2.gz OCQJHDYMVFFPHB-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP Brc1ncn(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000851810614 595930650 /nfs/dbraw/zinc/93/06/50/595930650.db2.gz KPDSBCAORLYWFA-UHFFFAOYSA-N 2 2 337.225 1.258 20 0 EDADLP C[N@H+](C[C@@H]1COC(C)(C)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851958091 595985986 /nfs/dbraw/zinc/98/59/86/595985986.db2.gz XYLUYEVPXFBRCU-IEBWSBKVSA-N 2 2 334.460 1.707 20 0 EDADLP C[N@@H+](C[C@@H]1COC(C)(C)O1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851958091 595985987 /nfs/dbraw/zinc/98/59/87/595985987.db2.gz XYLUYEVPXFBRCU-IEBWSBKVSA-N 2 2 334.460 1.707 20 0 EDADLP C[NH+](C[C@@H]1COC(C)(C)O1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000851958091 595985989 /nfs/dbraw/zinc/98/59/89/595985989.db2.gz XYLUYEVPXFBRCU-IEBWSBKVSA-N 2 2 334.460 1.707 20 0 EDADLP C[NH+](C[C@@H]1COC(C)(C)O1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000851958091 595985990 /nfs/dbraw/zinc/98/59/90/595985990.db2.gz XYLUYEVPXFBRCU-IEBWSBKVSA-N 2 2 334.460 1.707 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CCO1 ZINC000856428899 595987896 /nfs/dbraw/zinc/98/78/96/595987896.db2.gz FROPVNWMFUIIHX-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nonc3C)C2)ccn1 ZINC000856584243 596021594 /nfs/dbraw/zinc/02/15/94/596021594.db2.gz FWDRWFSMEXGEMY-MRXNPFEDSA-N 2 2 331.420 1.878 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nonc3C)C2)ccn1 ZINC000856584243 596021598 /nfs/dbraw/zinc/02/15/98/596021598.db2.gz FWDRWFSMEXGEMY-MRXNPFEDSA-N 2 2 331.420 1.878 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nonc3C)C2)ccn1 ZINC000856584243 596021602 /nfs/dbraw/zinc/02/16/02/596021602.db2.gz FWDRWFSMEXGEMY-MRXNPFEDSA-N 2 2 331.420 1.878 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nonc3C)C2)ccn1 ZINC000856584243 596021606 /nfs/dbraw/zinc/02/16/06/596021606.db2.gz FWDRWFSMEXGEMY-MRXNPFEDSA-N 2 2 331.420 1.878 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000852047848 596022486 /nfs/dbraw/zinc/02/24/86/596022486.db2.gz IXJSOYKPLCEMKJ-HZPDHXFCSA-N 2 2 329.485 1.678 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000852047848 596022488 /nfs/dbraw/zinc/02/24/88/596022488.db2.gz IXJSOYKPLCEMKJ-HZPDHXFCSA-N 2 2 329.485 1.678 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000852047848 596022492 /nfs/dbraw/zinc/02/24/92/596022492.db2.gz IXJSOYKPLCEMKJ-HZPDHXFCSA-N 2 2 329.485 1.678 20 0 EDADLP CCCNC(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000852047848 596022496 /nfs/dbraw/zinc/02/24/96/596022496.db2.gz IXJSOYKPLCEMKJ-HZPDHXFCSA-N 2 2 329.485 1.678 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000852110020 596047257 /nfs/dbraw/zinc/04/72/57/596047257.db2.gz KQBUQIHVHQPYQN-HNNXBMFYSA-N 2 2 339.430 1.934 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000852110020 596047259 /nfs/dbraw/zinc/04/72/59/596047259.db2.gz KQBUQIHVHQPYQN-HNNXBMFYSA-N 2 2 339.430 1.934 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CC[N@@H+](C2CC2)C1 ZINC000868607490 596244836 /nfs/dbraw/zinc/24/48/36/596244836.db2.gz WZMFZCULLFCAEY-ZIAGYGMSSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CC[N@H+](C2CC2)C1 ZINC000868607490 596244837 /nfs/dbraw/zinc/24/48/37/596244837.db2.gz WZMFZCULLFCAEY-ZIAGYGMSSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC[NH+](C2CC2)C1 ZINC000868607490 596244842 /nfs/dbraw/zinc/24/48/42/596244842.db2.gz WZMFZCULLFCAEY-ZIAGYGMSSA-N 2 2 329.435 1.906 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC[NH+](C2CC2)C1 ZINC000868607490 596244846 /nfs/dbraw/zinc/24/48/46/596244846.db2.gz WZMFZCULLFCAEY-ZIAGYGMSSA-N 2 2 329.435 1.906 20 0 EDADLP Cn1nc(Cl)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1Cl ZINC000862172322 596260063 /nfs/dbraw/zinc/26/00/63/596260063.db2.gz VNTYMLBKCKRTTR-UHFFFAOYSA-N 2 2 336.267 1.340 20 0 EDADLP Cn1nc(Cl)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1Cl ZINC000862172322 596260066 /nfs/dbraw/zinc/26/00/66/596260066.db2.gz VNTYMLBKCKRTTR-UHFFFAOYSA-N 2 2 336.267 1.340 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)C2)cc1 ZINC000868674889 596266787 /nfs/dbraw/zinc/26/67/87/596266787.db2.gz CUQIOTBZDZUWLB-WMZOPIPTSA-N 2 2 348.491 1.445 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)C2)cc1 ZINC000868674889 596266789 /nfs/dbraw/zinc/26/67/89/596266789.db2.gz CUQIOTBZDZUWLB-WMZOPIPTSA-N 2 2 348.491 1.445 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)/C=C/C[NH+]2CCOCC2)c2ccccc2O1 ZINC000866621671 596270366 /nfs/dbraw/zinc/27/03/66/596270366.db2.gz UCBOWCQTSNPREW-WHWKNOJMSA-N 2 2 345.443 1.231 20 0 EDADLP CN(C(=O)/C=C\C[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866656078 596282862 /nfs/dbraw/zinc/28/28/62/596282862.db2.gz ITFRVZFKMWILPH-NVAPOSRTSA-N 2 2 343.471 1.608 20 0 EDADLP CN(C(=O)/C=C\C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866656078 596282866 /nfs/dbraw/zinc/28/28/66/596282866.db2.gz ITFRVZFKMWILPH-NVAPOSRTSA-N 2 2 343.471 1.608 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCn1cc(COc2cccc(N)c2)nn1 ZINC000864645403 596295442 /nfs/dbraw/zinc/29/54/42/596295442.db2.gz AILLHEWQHZSDCP-UHFFFAOYSA-N 2 2 332.452 1.323 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(COc2cccc(N)c2)nn1 ZINC000864645403 596295445 /nfs/dbraw/zinc/29/54/45/596295445.db2.gz AILLHEWQHZSDCP-UHFFFAOYSA-N 2 2 332.452 1.323 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cn4cc(F)ccc4[nH+]3)CC[C@@H]21 ZINC000866709488 596302924 /nfs/dbraw/zinc/30/29/24/596302924.db2.gz KOEBBVLRGVZKMZ-BBRMVZONSA-N 2 2 330.407 1.959 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3cn4cc(F)ccc4[nH+]3)CC[C@@H]21 ZINC000866709488 596302929 /nfs/dbraw/zinc/30/29/29/596302929.db2.gz KOEBBVLRGVZKMZ-BBRMVZONSA-N 2 2 330.407 1.959 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CC(F)F)C3)CC[C@@H]21 ZINC000866708186 596303343 /nfs/dbraw/zinc/30/33/43/596303343.db2.gz DEDWWSXLSHTEFI-ILXRZTDVSA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CC(F)F)C3)CC[C@@H]21 ZINC000866708186 596303345 /nfs/dbraw/zinc/30/33/45/596303345.db2.gz DEDWWSXLSHTEFI-ILXRZTDVSA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CC(F)F)C3)CC[C@@H]21 ZINC000866708186 596303348 /nfs/dbraw/zinc/30/33/48/596303348.db2.gz DEDWWSXLSHTEFI-ILXRZTDVSA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CC(F)F)C3)CC[C@@H]21 ZINC000866708186 596303349 /nfs/dbraw/zinc/30/33/49/596303349.db2.gz DEDWWSXLSHTEFI-ILXRZTDVSA-N 2 2 329.435 1.906 20 0 EDADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)[nH+]1 ZINC000866711773 596304986 /nfs/dbraw/zinc/30/49/86/596304986.db2.gz NHAMUVSSXPZRRC-OIISXLGYSA-N 3 2 330.432 1.374 20 0 EDADLP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)[nH+]1 ZINC000866711773 596304989 /nfs/dbraw/zinc/30/49/89/596304989.db2.gz NHAMUVSSXPZRRC-OIISXLGYSA-N 3 2 330.432 1.374 20 0 EDADLP CCCc1nc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cs1 ZINC000866714279 596306975 /nfs/dbraw/zinc/30/69/75/596306975.db2.gz KUICEFWPPHGTCO-MCIONIFRSA-N 2 2 336.461 1.463 20 0 EDADLP CCCc1nc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cs1 ZINC000866714279 596306978 /nfs/dbraw/zinc/30/69/78/596306978.db2.gz KUICEFWPPHGTCO-MCIONIFRSA-N 2 2 336.461 1.463 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000870855472 596378705 /nfs/dbraw/zinc/37/87/05/596378705.db2.gz BRVSUIRSCSGVFE-YQVWRLOYSA-N 2 2 329.444 1.262 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870864676 596381784 /nfs/dbraw/zinc/38/17/84/596381784.db2.gz IYTAMLOTAULGEM-MFKMUULPSA-N 2 2 337.221 1.850 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[NH+]2CCOCC2)c1 ZINC000870865982 596382613 /nfs/dbraw/zinc/38/26/13/596382613.db2.gz PAJMWVGMNDMNJG-RMJJICAUSA-N 2 2 343.471 1.612 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870879871 596387756 /nfs/dbraw/zinc/38/77/56/596387756.db2.gz QEMDNYQDWIUXAD-UHFFFAOYSA-N 2 2 338.477 1.014 20 0 EDADLP C[C@H](c1ccccc1F)[C@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000869243383 596459579 /nfs/dbraw/zinc/45/95/79/596459579.db2.gz QNFPBXAXPQLFHH-PBHICJAKSA-N 2 2 339.455 1.290 20 0 EDADLP C[C@H](c1ccccc1F)[C@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000869243383 596459580 /nfs/dbraw/zinc/45/95/80/596459580.db2.gz QNFPBXAXPQLFHH-PBHICJAKSA-N 2 2 339.455 1.290 20 0 EDADLP CCCn1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)nn1 ZINC000865415897 596568010 /nfs/dbraw/zinc/56/80/10/596568010.db2.gz QJRYBCYAZAEJFB-UHFFFAOYSA-N 2 2 329.452 1.125 20 0 EDADLP O=C1[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCN1Cc1ccccc1 ZINC000863553922 596616389 /nfs/dbraw/zinc/61/63/89/596616389.db2.gz MRIXSKRNBJTXNH-QZTJIDSGSA-N 2 2 331.460 1.224 20 0 EDADLP COc1ccc(C2=NO[C@H](C[NH2+]C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000863557340 596617551 /nfs/dbraw/zinc/61/75/51/596617551.db2.gz MTXFZNXKEICNKJ-RDJZCZTQSA-N 2 2 333.432 1.235 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000867955538 596633796 /nfs/dbraw/zinc/63/37/96/596633796.db2.gz CKBWVFJWCWIOHB-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3[NH2+]CC3(C)C)C2)c1 ZINC000867998635 596649494 /nfs/dbraw/zinc/64/94/94/596649494.db2.gz YUONVKKNBBNOOU-IAGOWNOFSA-N 2 2 331.460 1.310 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3[NH2+]CC3(C)C)C2)c1 ZINC000867998635 596649497 /nfs/dbraw/zinc/64/94/97/596649497.db2.gz YUONVKKNBBNOOU-IAGOWNOFSA-N 2 2 331.460 1.310 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000865780180 596681053 /nfs/dbraw/zinc/68/10/53/596681053.db2.gz HCSZVEOXOYQKLJ-UHFFFAOYSA-N 2 2 348.422 1.585 20 0 EDADLP CC(=O)Nc1cccnc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000865799846 596689646 /nfs/dbraw/zinc/68/96/46/596689646.db2.gz SFTZYYGEPMRVBC-UHFFFAOYSA-N 2 2 347.463 1.138 20 0 EDADLP CC(=O)Nc1cccnc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000865799846 596689651 /nfs/dbraw/zinc/68/96/51/596689651.db2.gz SFTZYYGEPMRVBC-UHFFFAOYSA-N 2 2 347.463 1.138 20 0 EDADLP O[C@@H]1C[C@H]2CN(c3cc(NCc4ccccc4)[nH+]cn3)CC[N@@H+]2C1 ZINC000865917636 596720884 /nfs/dbraw/zinc/72/08/84/596720884.db2.gz LPAMTPUUVZSCEU-JKSUJKDBSA-N 2 2 325.416 1.344 20 0 EDADLP O[C@@H]1C[C@H]2CN(c3cc(NCc4ccccc4)[nH+]cn3)CC[N@H+]2C1 ZINC000865917636 596720889 /nfs/dbraw/zinc/72/08/89/596720889.db2.gz LPAMTPUUVZSCEU-JKSUJKDBSA-N 2 2 325.416 1.344 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)cc2C1 ZINC000868204532 596722927 /nfs/dbraw/zinc/72/29/27/596722927.db2.gz QHWQWJVQKVYVCG-QGZVFWFLSA-N 2 2 334.468 1.557 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CC[C@](C[NH3+])(C(C)(C)C)C3)cc2C1 ZINC000868204532 596722928 /nfs/dbraw/zinc/72/29/28/596722928.db2.gz QHWQWJVQKVYVCG-QGZVFWFLSA-N 2 2 334.468 1.557 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000863947991 596724788 /nfs/dbraw/zinc/72/47/88/596724788.db2.gz YYRQMEWPELUVRY-YJBOKZPZSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000863947991 596724790 /nfs/dbraw/zinc/72/47/90/596724790.db2.gz YYRQMEWPELUVRY-YJBOKZPZSA-N 2 2 326.444 1.989 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]cc1C(F)(F)F ZINC000865965097 596740390 /nfs/dbraw/zinc/74/03/90/596740390.db2.gz KLMLYIAFRYKYMF-HNNXBMFYSA-N 2 2 345.365 1.550 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]cc1C(F)(F)F ZINC000865965097 596740392 /nfs/dbraw/zinc/74/03/92/596740392.db2.gz KLMLYIAFRYKYMF-HNNXBMFYSA-N 2 2 345.365 1.550 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)CC[N@@H+]1C ZINC000865985753 596748138 /nfs/dbraw/zinc/74/81/38/596748138.db2.gz VMKKSUKWMZLPOV-UONOGXRCSA-N 2 2 338.521 1.742 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)CC[N@H+]1C ZINC000865985753 596748140 /nfs/dbraw/zinc/74/81/40/596748140.db2.gz VMKKSUKWMZLPOV-UONOGXRCSA-N 2 2 338.521 1.742 20 0 EDADLP Cc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000865995181 596751413 /nfs/dbraw/zinc/75/14/13/596751413.db2.gz WMEMXLNGQQBKAH-SNAWJCMRSA-N 2 2 347.459 1.762 20 0 EDADLP C[NH+](C)C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)C[C@H]1C[NH+](C)C ZINC000866012563 596757535 /nfs/dbraw/zinc/75/75/35/596757535.db2.gz IFUKBJWXZNWVNP-HZPDHXFCSA-N 3 2 332.496 1.252 20 0 EDADLP C[NH+](C)C[C@@H]1CN(c2cc(N3CCCC3)nc[nH+]2)C[C@H]1C[NH+](C)C ZINC000866012563 596757536 /nfs/dbraw/zinc/75/75/36/596757536.db2.gz IFUKBJWXZNWVNP-HZPDHXFCSA-N 3 2 332.496 1.252 20 0 EDADLP Cc1nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2c([nH+]1)CCCC2 ZINC000866012789 596758131 /nfs/dbraw/zinc/75/81/31/596758131.db2.gz QLIXEDKVKTVBQU-HZPDHXFCSA-N 3 2 331.508 1.839 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[NH2+]2)cc1 ZINC000870139408 596768332 /nfs/dbraw/zinc/76/83/32/596768332.db2.gz AIBFNBCPERIEQC-NVXWUHKLSA-N 2 2 340.427 1.627 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCc3sccc3C2)C[C@@H]1C(F)(F)F ZINC000872147846 596810928 /nfs/dbraw/zinc/81/09/28/596810928.db2.gz FMOFOOUDNIKZQM-RYUDHWBXSA-N 2 2 347.406 1.702 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCc3sccc3C2)C[C@@H]1C(F)(F)F ZINC000872147846 596810931 /nfs/dbraw/zinc/81/09/31/596810931.db2.gz FMOFOOUDNIKZQM-RYUDHWBXSA-N 2 2 347.406 1.702 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cn1 ZINC000872152473 596814171 /nfs/dbraw/zinc/81/41/71/596814171.db2.gz RULNLVVDKDOVSA-BXKDBHETSA-N 2 2 329.326 1.644 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cn1 ZINC000872152473 596814174 /nfs/dbraw/zinc/81/41/74/596814174.db2.gz RULNLVVDKDOVSA-BXKDBHETSA-N 2 2 329.326 1.644 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000872188085 596826829 /nfs/dbraw/zinc/82/68/29/596826829.db2.gz OQDHUQWDLYUVRP-CQSZACIVSA-N 2 2 335.452 1.093 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000872217606 596839688 /nfs/dbraw/zinc/83/96/88/596839688.db2.gz AWUYYGFKOZWWCI-UONOGXRCSA-N 2 2 328.478 1.060 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000872217606 596839690 /nfs/dbraw/zinc/83/96/90/596839690.db2.gz AWUYYGFKOZWWCI-UONOGXRCSA-N 2 2 328.478 1.060 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cnc1Cl ZINC000872256520 596856702 /nfs/dbraw/zinc/85/67/02/596856702.db2.gz VKVBOMWQWNJTHB-MJBXVCDLSA-N 2 2 336.823 1.410 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cnc1Cl ZINC000872256520 596856704 /nfs/dbraw/zinc/85/67/04/596856704.db2.gz VKVBOMWQWNJTHB-MJBXVCDLSA-N 2 2 336.823 1.410 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872315337 596878710 /nfs/dbraw/zinc/87/87/10/596878710.db2.gz YTKNZTKWXHNARS-INIZCTEOSA-N 2 2 326.400 1.569 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1CC2(CCC2)C1 ZINC000872502924 596939309 /nfs/dbraw/zinc/93/93/09/596939309.db2.gz AWKHJGBJGYUJBK-HNNXBMFYSA-N 2 2 345.553 1.758 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1CC2(CCC2)C1 ZINC000872502924 596939311 /nfs/dbraw/zinc/93/93/11/596939311.db2.gz AWKHJGBJGYUJBK-HNNXBMFYSA-N 2 2 345.553 1.758 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000876208614 597137872 /nfs/dbraw/zinc/13/78/72/597137872.db2.gz RUKJDVMPDCXMSW-QGZVFWFLSA-N 2 2 332.448 1.147 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000876208614 597137875 /nfs/dbraw/zinc/13/78/75/597137875.db2.gz RUKJDVMPDCXMSW-QGZVFWFLSA-N 2 2 332.448 1.147 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000876208322 597137957 /nfs/dbraw/zinc/13/79/57/597137957.db2.gz MRVQUSLAHUFWDP-SJLPKXTDSA-N 2 2 326.444 1.829 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000876208322 597137960 /nfs/dbraw/zinc/13/79/60/597137960.db2.gz MRVQUSLAHUFWDP-SJLPKXTDSA-N 2 2 326.444 1.829 20 0 EDADLP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)CN1 ZINC000125833073 597146177 /nfs/dbraw/zinc/14/61/77/597146177.db2.gz HYSYJXDHNHSGDB-CVEARBPZSA-N 2 2 325.416 1.758 20 0 EDADLP O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)nc2)CN1 ZINC000125833073 597146179 /nfs/dbraw/zinc/14/61/79/597146179.db2.gz HYSYJXDHNHSGDB-CVEARBPZSA-N 2 2 325.416 1.758 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000874839435 597193985 /nfs/dbraw/zinc/19/39/85/597193985.db2.gz WFFHDJXSPFNEHI-MOPGFXCFSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000874839435 597193987 /nfs/dbraw/zinc/19/39/87/597193987.db2.gz WFFHDJXSPFNEHI-MOPGFXCFSA-N 2 2 343.471 1.828 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cc[nH+]1 ZINC000873210151 597228947 /nfs/dbraw/zinc/22/89/47/597228947.db2.gz WWJWOGRXDBTIAM-UHFFFAOYSA-N 3 2 329.473 1.814 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000875130558 597294295 /nfs/dbraw/zinc/29/42/95/597294295.db2.gz OOEIOJFYRFMWDS-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000875130558 597294297 /nfs/dbraw/zinc/29/42/97/597294297.db2.gz OOEIOJFYRFMWDS-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)([NH+]2CCCCC2)CC1 ZINC000876784822 597339514 /nfs/dbraw/zinc/33/95/14/597339514.db2.gz KZZZRRZNWQHDBE-HZPDHXFCSA-N 3 2 336.524 1.426 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876907047 597380129 /nfs/dbraw/zinc/38/01/29/597380129.db2.gz NLEUQZWBVJWFKV-BLLLJJGKSA-N 2 2 339.842 1.762 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876907047 597380133 /nfs/dbraw/zinc/38/01/33/597380133.db2.gz NLEUQZWBVJWFKV-BLLLJJGKSA-N 2 2 339.842 1.762 20 0 EDADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000876955911 597395707 /nfs/dbraw/zinc/39/57/07/597395707.db2.gz DJTWIRSDOOVLPL-LBPRGKRZSA-N 2 2 342.490 1.797 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[C@H]2CCSC2)CC1 ZINC000875428874 597425332 /nfs/dbraw/zinc/42/53/32/597425332.db2.gz VNMILXFICILHNX-AWEZNQCLSA-N 2 2 328.526 1.455 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@H]2[NH3+])cc1 ZINC000877239004 597474561 /nfs/dbraw/zinc/47/45/61/597474561.db2.gz MWQJNDGCQRFLDB-RRQGHBQHSA-N 2 2 328.416 1.796 20 0 EDADLP COc1cc2c(cc1C[NH+]1CCC(N3CC[NH+](C)CC3)CC1)OCO2 ZINC000877746388 597552623 /nfs/dbraw/zinc/55/26/23/597552623.db2.gz NQFRYEFIWHJSAB-UHFFFAOYSA-N 2 2 347.459 1.636 20 0 EDADLP CCOC(=O)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)o1 ZINC000877746837 597552830 /nfs/dbraw/zinc/55/28/30/597552830.db2.gz YXUFPZXQCMHKLX-UHFFFAOYSA-N 2 2 335.448 1.668 20 0 EDADLP Cc1ccccc1N1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000877912496 597563889 /nfs/dbraw/zinc/56/38/89/597563889.db2.gz WZMYVLQJGZECHF-UHFFFAOYSA-N 2 2 330.476 1.327 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878285619 597592607 /nfs/dbraw/zinc/59/26/07/597592607.db2.gz DGSPETWSPSWJSQ-IRXDYDNUSA-N 2 2 330.432 1.027 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000878442667 597602197 /nfs/dbraw/zinc/60/21/97/597602197.db2.gz QDQYKNLRWIEMTH-CYBMUJFWSA-N 2 2 337.414 1.965 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000878442667 597602198 /nfs/dbraw/zinc/60/21/98/597602198.db2.gz QDQYKNLRWIEMTH-CYBMUJFWSA-N 2 2 337.414 1.965 20 0 EDADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000879583375 597644037 /nfs/dbraw/zinc/64/40/37/597644037.db2.gz YHATZWDLCJVMDN-MOPGFXCFSA-N 2 2 327.472 1.987 20 0 EDADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000879583375 597644039 /nfs/dbraw/zinc/64/40/39/597644039.db2.gz YHATZWDLCJVMDN-MOPGFXCFSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000879583375 597644041 /nfs/dbraw/zinc/64/40/41/597644041.db2.gz YHATZWDLCJVMDN-MOPGFXCFSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000879583375 597644042 /nfs/dbraw/zinc/64/40/42/597644042.db2.gz YHATZWDLCJVMDN-MOPGFXCFSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879620839 597661476 /nfs/dbraw/zinc/66/14/76/597661476.db2.gz LNAFEACTKCIXPF-HZPDHXFCSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879620839 597661477 /nfs/dbraw/zinc/66/14/77/597661477.db2.gz LNAFEACTKCIXPF-HZPDHXFCSA-N 2 2 346.475 1.212 20 0 EDADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000878665009 597672446 /nfs/dbraw/zinc/67/24/46/597672446.db2.gz AFSJFKJHLQZNIR-MRXNPFEDSA-N 2 2 339.867 1.516 20 0 EDADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000878665009 597672447 /nfs/dbraw/zinc/67/24/47/597672447.db2.gz AFSJFKJHLQZNIR-MRXNPFEDSA-N 2 2 339.867 1.516 20 0 EDADLP O[C@]1(C[N@@H+]2CC[C@](O)(C(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000878669857 597673611 /nfs/dbraw/zinc/67/36/11/597673611.db2.gz MOHKAKOOGKTMGI-IAGOWNOFSA-N 2 2 326.387 1.325 20 0 EDADLP O[C@]1(C[N@H+]2CC[C@](O)(C(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000878669857 597673613 /nfs/dbraw/zinc/67/36/13/597673613.db2.gz MOHKAKOOGKTMGI-IAGOWNOFSA-N 2 2 326.387 1.325 20 0 EDADLP O[C@]1(C[NH+]2CC[C@](O)(C(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000878669857 597673614 /nfs/dbraw/zinc/67/36/14/597673614.db2.gz MOHKAKOOGKTMGI-IAGOWNOFSA-N 2 2 326.387 1.325 20 0 EDADLP O[C@]1(C[NH+]2CC[C@](O)(C(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000878669857 597673616 /nfs/dbraw/zinc/67/36/16/597673616.db2.gz MOHKAKOOGKTMGI-IAGOWNOFSA-N 2 2 326.387 1.325 20 0 EDADLP O=C1N[C@H]2C[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@@H]2CO1 ZINC000878771881 597707030 /nfs/dbraw/zinc/70/70/30/597707030.db2.gz YTHOIZCNMQAKGE-ZIFCJYIRSA-N 2 2 345.443 1.054 20 0 EDADLP O=C1N[C@H]2C[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@@H]2CO1 ZINC000878771881 597707032 /nfs/dbraw/zinc/70/70/32/597707032.db2.gz YTHOIZCNMQAKGE-ZIFCJYIRSA-N 2 2 345.443 1.054 20 0 EDADLP O=C1N[C@H]2C[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC[C@@H]2CO1 ZINC000878771881 597707033 /nfs/dbraw/zinc/70/70/33/597707033.db2.gz YTHOIZCNMQAKGE-ZIFCJYIRSA-N 2 2 345.443 1.054 20 0 EDADLP O=C1N[C@H]2C[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]2CO1 ZINC000878771881 597707035 /nfs/dbraw/zinc/70/70/35/597707035.db2.gz YTHOIZCNMQAKGE-ZIFCJYIRSA-N 2 2 345.443 1.054 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883630958 597838215 /nfs/dbraw/zinc/83/82/15/597838215.db2.gz IEZCQZKPMZSTET-HOTGVXAUSA-N 2 2 347.463 1.141 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CCN1c1cc[nH+]cc1 ZINC000880261627 597886442 /nfs/dbraw/zinc/88/64/42/597886442.db2.gz KPKVMBKKGHBECD-AWEZNQCLSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CCN1c1cc[nH+]cc1 ZINC000880261627 597886444 /nfs/dbraw/zinc/88/64/44/597886444.db2.gz KPKVMBKKGHBECD-AWEZNQCLSA-N 2 2 328.460 1.897 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261984 597886521 /nfs/dbraw/zinc/88/65/21/597886521.db2.gz QDMYFWZHLZXZMJ-ZIAGYGMSSA-N 2 2 333.436 1.215 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261984 597886523 /nfs/dbraw/zinc/88/65/23/597886523.db2.gz QDMYFWZHLZXZMJ-ZIAGYGMSSA-N 2 2 333.436 1.215 20 0 EDADLP COc1cncc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000880552339 597961864 /nfs/dbraw/zinc/96/18/64/597961864.db2.gz SPOZVVYIVRRIPE-UHFFFAOYSA-N 2 2 347.463 1.770 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884323790 598067409 /nfs/dbraw/zinc/06/74/09/598067409.db2.gz YOXBJINUKVMPGG-MRXNPFEDSA-N 2 2 325.416 1.783 20 0 EDADLP CCO[C@@H]1CN(C(=O)c2c[nH+]ccc2Nc2ccccc2)C[C@H]1C[NH3+] ZINC000884386659 598089031 /nfs/dbraw/zinc/08/90/31/598089031.db2.gz WFJKRRRDMRIEEG-RDTXWAMCSA-N 2 2 340.427 1.683 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882837153 598074311 /nfs/dbraw/zinc/07/43/11/598074311.db2.gz AEEIRQQXUGLPAM-MRXNPFEDSA-N 2 2 336.461 1.496 20 0 EDADLP [NH3+]Cc1ccccc1OCc1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC000881361620 598133598 /nfs/dbraw/zinc/13/35/98/598133598.db2.gz CFHOPRYAJJVNCO-UHFFFAOYSA-N 2 2 348.357 1.826 20 0 EDADLP C[C@H]1CCOCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000089265147 695129399 /nfs/dbraw/zinc/12/93/99/695129399.db2.gz ZUJHLWYQKXHBDA-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001031033972 695239166 /nfs/dbraw/zinc/23/91/66/695239166.db2.gz DFXVSCQCXXYDOQ-RDTXWAMCSA-N 2 2 332.448 1.234 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c1 ZINC000939856209 699994638 /nfs/dbraw/zinc/99/46/38/699994638.db2.gz KQJNDMGGCGXCOS-WMLDXEAASA-N 2 2 328.416 1.528 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000914333376 695365721 /nfs/dbraw/zinc/36/57/21/695365721.db2.gz XVIHYZHMPZGXFH-GOSISDBHSA-N 2 2 348.491 1.528 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000914333376 695365722 /nfs/dbraw/zinc/36/57/22/695365722.db2.gz XVIHYZHMPZGXFH-GOSISDBHSA-N 2 2 348.491 1.528 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ncccn3)[C@@H]2C1 ZINC000992829056 695388866 /nfs/dbraw/zinc/38/88/66/695388866.db2.gz CIYYHHLWVAOBKG-IMJJTQAJSA-N 2 2 340.431 1.159 20 0 EDADLP Cc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939855332 699993403 /nfs/dbraw/zinc/99/34/03/699993403.db2.gz DONQSMIHVVVQIJ-PBHICJAKSA-N 2 2 330.407 1.967 20 0 EDADLP CN(C)c1cc[nH+]c(CNC(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000915176611 695755557 /nfs/dbraw/zinc/75/55/57/695755557.db2.gz DOMIUYCVBNDJIT-UHFFFAOYSA-N 2 2 339.443 1.963 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001031235884 695931201 /nfs/dbraw/zinc/93/12/01/695931201.db2.gz JBKYRMWOWNOZKT-KDOFPFPSSA-N 2 2 335.492 1.476 20 0 EDADLP Cc1cccc(OCC[NH+]2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031259560 696071240 /nfs/dbraw/zinc/07/12/40/696071240.db2.gz DPOHRRGTIWSEIZ-MRXNPFEDSA-N 2 2 331.460 1.516 20 0 EDADLP Cc1cccc(OCC[NH+]2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001031259560 696071243 /nfs/dbraw/zinc/07/12/43/696071243.db2.gz DPOHRRGTIWSEIZ-MRXNPFEDSA-N 2 2 331.460 1.516 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031267615 696082211 /nfs/dbraw/zinc/08/22/11/696082211.db2.gz OCVNIFULCMVDLO-GOSISDBHSA-N 2 2 346.475 1.503 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1Cc1cncn1C ZINC000993559719 696243066 /nfs/dbraw/zinc/24/30/66/696243066.db2.gz CDSXQMKVLSUODB-NVXWUHKLSA-N 2 2 345.491 1.518 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1Cc1cncn1C ZINC000993559719 696243068 /nfs/dbraw/zinc/24/30/68/696243068.db2.gz CDSXQMKVLSUODB-NVXWUHKLSA-N 2 2 345.491 1.518 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2nccnc2C)[C@@H]1C ZINC000993611509 696258082 /nfs/dbraw/zinc/25/80/82/696258082.db2.gz GWTIIBCAKYKCPW-CVEARBPZSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2nccnc2C)[C@@H]1C ZINC000993611509 696258083 /nfs/dbraw/zinc/25/80/83/696258083.db2.gz GWTIIBCAKYKCPW-CVEARBPZSA-N 2 2 342.447 1.459 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCC[N@@H+]1CCCO ZINC000994144606 696541485 /nfs/dbraw/zinc/54/14/85/696541485.db2.gz IDIMWVIDLVNLKM-MAUKXSAKSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCC[N@H+]1CCCO ZINC000994144606 696541487 /nfs/dbraw/zinc/54/14/87/696541487.db2.gz IDIMWVIDLVNLKM-MAUKXSAKSA-N 2 2 342.443 1.837 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)[C@H]1C ZINC000994408106 696831608 /nfs/dbraw/zinc/83/16/08/696831608.db2.gz MZVJQEMUSYMXPY-YOEHRIQHSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)[C@H]1C ZINC000994408106 696831611 /nfs/dbraw/zinc/83/16/11/696831611.db2.gz MZVJQEMUSYMXPY-YOEHRIQHSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000994419543 696835206 /nfs/dbraw/zinc/83/52/06/696835206.db2.gz IWXANZOABVNSPX-GUYCJALGSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)[C@H]1C ZINC000994419543 696835208 /nfs/dbraw/zinc/83/52/08/696835208.db2.gz IWXANZOABVNSPX-GUYCJALGSA-N 2 2 345.422 1.895 20 0 EDADLP COc1ccnc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)c1 ZINC000994410282 696836738 /nfs/dbraw/zinc/83/67/38/696836738.db2.gz SHGNZSQVJNFVPX-YJBOKZPZSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)c1 ZINC000994410282 696836742 /nfs/dbraw/zinc/83/67/42/696836742.db2.gz SHGNZSQVJNFVPX-YJBOKZPZSA-N 2 2 346.475 1.655 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000917007778 696874714 /nfs/dbraw/zinc/87/47/14/696874714.db2.gz SGODCPSACOEAPU-BRWVUGGUSA-N 2 2 340.512 1.467 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000917007778 696874716 /nfs/dbraw/zinc/87/47/16/696874716.db2.gz SGODCPSACOEAPU-BRWVUGGUSA-N 2 2 340.512 1.467 20 0 EDADLP COc1ccc(CC[NH+]2CC(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)cc1 ZINC001031431404 697092475 /nfs/dbraw/zinc/09/24/75/697092475.db2.gz BWJAHAJXFKNBJW-HZPDHXFCSA-N 2 2 345.487 1.911 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)/C=C\Cl)C2)CC1 ZINC000918906693 697222445 /nfs/dbraw/zinc/22/24/45/697222445.db2.gz QNTVZMSWVDOMOU-WSROAFLRSA-N 2 2 328.888 1.985 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC(C)(C)/C=C\Cl)C2)CC1 ZINC000918906693 697222447 /nfs/dbraw/zinc/22/24/47/697222447.db2.gz QNTVZMSWVDOMOU-WSROAFLRSA-N 2 2 328.888 1.985 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001031593834 697292977 /nfs/dbraw/zinc/29/29/77/697292977.db2.gz KAFJNXWIVBXEFF-GNJLHFKMSA-N 2 2 329.444 1.078 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001031593834 697292979 /nfs/dbraw/zinc/29/29/79/697292979.db2.gz KAFJNXWIVBXEFF-GNJLHFKMSA-N 2 2 329.444 1.078 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)on1 ZINC001031668684 697462489 /nfs/dbraw/zinc/46/24/89/697462489.db2.gz LZMMKMUNSHOMSX-HZPDHXFCSA-N 2 2 332.448 1.405 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)on1 ZINC001031668684 697462491 /nfs/dbraw/zinc/46/24/91/697462491.db2.gz LZMMKMUNSHOMSX-HZPDHXFCSA-N 2 2 332.448 1.405 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](C[C@H]4CC[C@@H](C)O4)C3)ccn12 ZINC001031670954 697471438 /nfs/dbraw/zinc/47/14/38/697471438.db2.gz NNLCSDULIAELTH-RHSMWYFYSA-N 2 2 342.443 1.872 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000921331213 697558373 /nfs/dbraw/zinc/55/83/73/697558373.db2.gz YPIOOSDZDSCYDA-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnc(C)cn2)C1 ZINC001031713658 697732570 /nfs/dbraw/zinc/73/25/70/697732570.db2.gz DJOSCHILXMIPKA-QAPCUYQASA-N 2 2 345.491 1.768 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnc(C)cn2)C1 ZINC001031713658 697732572 /nfs/dbraw/zinc/73/25/72/697732572.db2.gz DJOSCHILXMIPKA-QAPCUYQASA-N 2 2 345.491 1.768 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C)ncn2)C1 ZINC001031715409 697739311 /nfs/dbraw/zinc/73/93/11/697739311.db2.gz UGKMIJNNHXNHJE-QGZVFWFLSA-N 2 2 331.464 1.207 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C)ncn2)C1 ZINC001031715409 697739316 /nfs/dbraw/zinc/73/93/16/697739316.db2.gz UGKMIJNNHXNHJE-QGZVFWFLSA-N 2 2 331.464 1.207 20 0 EDADLP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000940083429 700177469 /nfs/dbraw/zinc/17/74/69/700177469.db2.gz OXGQYUTVJYNYIT-UHFFFAOYSA-N 2 2 330.436 1.247 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943179727 697878290 /nfs/dbraw/zinc/87/82/90/697878290.db2.gz YVHGIGGQVSZGQK-YVEFUNNKSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943179727 697878294 /nfs/dbraw/zinc/87/82/94/697878294.db2.gz YVHGIGGQVSZGQK-YVEFUNNKSA-N 2 2 345.447 1.838 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001031729416 698053472 /nfs/dbraw/zinc/05/34/72/698053472.db2.gz MPVVSAGVTGYHHI-MRXNPFEDSA-N 2 2 348.466 1.747 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001031729416 698053478 /nfs/dbraw/zinc/05/34/78/698053478.db2.gz MPVVSAGVTGYHHI-MRXNPFEDSA-N 2 2 348.466 1.747 20 0 EDADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730172 698066428 /nfs/dbraw/zinc/06/64/28/698066428.db2.gz GKBVITPSJOMTAW-GOSISDBHSA-N 2 2 345.491 1.375 20 0 EDADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730172 698066433 /nfs/dbraw/zinc/06/64/33/698066433.db2.gz GKBVITPSJOMTAW-GOSISDBHSA-N 2 2 345.491 1.375 20 0 EDADLP C[C@H]1C[N@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766361 698817546 /nfs/dbraw/zinc/81/75/46/698817546.db2.gz HRPKSJOTXKSGHZ-HOCLYGCPSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@H]1C[N@@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766361 698817551 /nfs/dbraw/zinc/81/75/51/698817551.db2.gz HRPKSJOTXKSGHZ-HOCLYGCPSA-N 2 2 334.464 1.596 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccon3)C[C@H]2C)CC1 ZINC000943755257 698828002 /nfs/dbraw/zinc/82/80/02/698828002.db2.gz AUJSOLYHNDGKAF-NVXWUHKLSA-N 2 2 334.464 1.733 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)C[C@H]2C)CC1 ZINC000943755257 698828008 /nfs/dbraw/zinc/82/80/08/698828008.db2.gz AUJSOLYHNDGKAF-NVXWUHKLSA-N 2 2 334.464 1.733 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943755733 698829578 /nfs/dbraw/zinc/82/95/78/698829578.db2.gz HZZIMZGYAJQWCO-WBMJQRKESA-N 2 2 345.447 1.838 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943755733 698829583 /nfs/dbraw/zinc/82/95/83/698829583.db2.gz HZZIMZGYAJQWCO-WBMJQRKESA-N 2 2 345.447 1.838 20 0 EDADLP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)cn1 ZINC000943767194 698837413 /nfs/dbraw/zinc/83/74/13/698837413.db2.gz RWSDOGWLWPYZKR-ZBFHGGJFSA-N 2 2 344.463 1.238 20 0 EDADLP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)cn1 ZINC000943767194 698837421 /nfs/dbraw/zinc/83/74/21/698837421.db2.gz RWSDOGWLWPYZKR-ZBFHGGJFSA-N 2 2 344.463 1.238 20 0 EDADLP CCn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000995152638 701550918 /nfs/dbraw/zinc/55/09/18/701550918.db2.gz MEWHLHQRXWCYKG-ZIAGYGMSSA-N 2 2 330.436 1.243 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031767197 699070418 /nfs/dbraw/zinc/07/04/18/699070418.db2.gz UBRNQFRHPJKDMK-ZWKOTPCHSA-N 2 2 346.450 1.786 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031767197 699070422 /nfs/dbraw/zinc/07/04/22/699070422.db2.gz UBRNQFRHPJKDMK-ZWKOTPCHSA-N 2 2 346.450 1.786 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031771625 699092111 /nfs/dbraw/zinc/09/21/11/699092111.db2.gz CPUOGGXSKVWGDN-KRWDZBQOSA-N 2 2 349.450 1.867 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031771625 699092115 /nfs/dbraw/zinc/09/21/15/699092115.db2.gz CPUOGGXSKVWGDN-KRWDZBQOSA-N 2 2 349.450 1.867 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCCO2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031783222 699209306 /nfs/dbraw/zinc/20/93/06/699209306.db2.gz UYVBRUZWTUTJOE-IAGOWNOFSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031784812 699219910 /nfs/dbraw/zinc/21/99/10/699219910.db2.gz YEQHZJWAYPZQOD-CVEARBPZSA-N 2 2 332.448 1.063 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000939209027 699355092 /nfs/dbraw/zinc/35/50/92/699355092.db2.gz FIPIWRDTJKYOSS-BZNIZROVSA-N 2 2 340.387 1.125 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1F ZINC000939211491 699360072 /nfs/dbraw/zinc/36/00/72/699360072.db2.gz SIVRLMFFURDOSA-WBMJQRKESA-N 2 2 346.406 1.737 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000995162179 701586108 /nfs/dbraw/zinc/58/61/08/701586108.db2.gz SBLMVPZZVFKILK-ZIAGYGMSSA-N 2 2 347.488 1.802 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)cs1 ZINC000995162524 701586631 /nfs/dbraw/zinc/58/66/31/701586631.db2.gz SZWYZBBIHFMDIO-UONOGXRCSA-N 2 2 347.488 1.802 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCN(C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000941586505 701590766 /nfs/dbraw/zinc/59/07/66/701590766.db2.gz XLMCMSOBNUMCPF-UHFFFAOYSA-N 2 2 345.491 1.361 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)c(C)o1 ZINC000939533976 699672104 /nfs/dbraw/zinc/67/21/04/699672104.db2.gz HHOUOPCNFAVVES-ZBEGNZNMSA-N 2 2 331.420 1.204 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)s1 ZINC000939534340 699675131 /nfs/dbraw/zinc/67/51/31/699675131.db2.gz JACMMCCQOSVHFT-XHDPSFHLSA-N 2 2 333.461 1.364 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939535830 699676771 /nfs/dbraw/zinc/67/67/71/699676771.db2.gz SBJOYPPUASWCIF-UKRRQHHQSA-N 2 2 327.432 1.719 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)o1 ZINC000939539406 699680179 /nfs/dbraw/zinc/68/01/79/699680179.db2.gz CJOUMWXHTQWNDD-RISCZKNCSA-N 2 2 345.447 1.929 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)o1 ZINC000939546158 699688124 /nfs/dbraw/zinc/68/81/24/699688124.db2.gz RAJFZKFTDXDRDC-KBPBESRZSA-N 2 2 347.463 1.225 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)n1 ZINC000939626590 699764053 /nfs/dbraw/zinc/76/40/53/699764053.db2.gz LCXQUMXQBZVBIP-PXAZEXFGSA-N 2 2 344.463 1.211 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)c(C)o1 ZINC000939626624 699764371 /nfs/dbraw/zinc/76/43/71/699764371.db2.gz LUTKWUAKNJZKPI-QFYYESIMSA-N 2 2 331.420 1.502 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939642125 699771530 /nfs/dbraw/zinc/77/15/30/699771530.db2.gz HSQAJOUNVBTMOF-MLGOLLRUSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ncoc2C(C)C)[C@@H](C)C1 ZINC000939753028 699902518 /nfs/dbraw/zinc/90/25/18/699902518.db2.gz CSHFOZJNPYKUCU-BBRMVZONSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)c(C)s1 ZINC000939756401 699922984 /nfs/dbraw/zinc/92/29/84/699922984.db2.gz UNGXFQKZSMKDRF-BDJLRTHQSA-N 2 2 347.488 1.902 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCN(C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000941688686 701633637 /nfs/dbraw/zinc/63/36/37/701633637.db2.gz ZIRNKUYEAXQDFS-UHFFFAOYSA-N 2 2 345.491 1.292 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940228133 700393042 /nfs/dbraw/zinc/39/30/42/700393042.db2.gz GWKKRJTXLWGKQJ-UHFFFAOYSA-N 2 2 342.447 1.314 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH+]ccn3C)CC2)no1 ZINC000940228669 700393778 /nfs/dbraw/zinc/39/37/78/700393778.db2.gz PDRMTLFHOQVRJL-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP CC1([NH2+]Cc2ccc(F)cn2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243522 700405345 /nfs/dbraw/zinc/40/53/45/700405345.db2.gz UMDZNUHHZKGGRM-UHFFFAOYSA-N 2 2 345.422 1.978 20 0 EDADLP CCCn1ncnc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940356138 700517821 /nfs/dbraw/zinc/51/78/21/700517821.db2.gz KWXQPIQOELKVCK-UHFFFAOYSA-N 2 2 345.451 1.125 20 0 EDADLP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1)C1CCC1 ZINC001031968424 701653511 /nfs/dbraw/zinc/65/35/11/701653511.db2.gz WAKDIAFERMTOHW-DOTOQJQBSA-N 2 2 346.475 1.693 20 0 EDADLP Cc1conc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000940426245 700619659 /nfs/dbraw/zinc/61/96/59/700619659.db2.gz LSTSOFVGCHQFQS-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1ncsc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000940426137 700619728 /nfs/dbraw/zinc/61/97/28/700619728.db2.gz GVCLQNXHMIBPHE-UHFFFAOYSA-N 2 2 347.488 1.898 20 0 EDADLP Cc1nc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)cs1 ZINC000940482871 700670981 /nfs/dbraw/zinc/67/09/81/700670981.db2.gz WSVZGNYYFUVKDQ-UHFFFAOYSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ocnc2C)CC1(C)C ZINC000940892257 700967560 /nfs/dbraw/zinc/96/75/60/700967560.db2.gz AVUXQJHHEIRDTQ-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ocnc2C)CC1(C)C ZINC000940892257 700967561 /nfs/dbraw/zinc/96/75/61/700967561.db2.gz AVUXQJHHEIRDTQ-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000941063063 701110663 /nfs/dbraw/zinc/11/06/63/701110663.db2.gz BBWBIIRVSXHMJZ-ZIAGYGMSSA-N 2 2 349.479 1.097 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(N)=O)CC1(C)C ZINC000941063063 701110665 /nfs/dbraw/zinc/11/06/65/701110665.db2.gz BBWBIIRVSXHMJZ-ZIAGYGMSSA-N 2 2 349.479 1.097 20 0 EDADLP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806334 701196096 /nfs/dbraw/zinc/19/60/96/701196096.db2.gz CQEVJZPUGVQLMP-PBHICJAKSA-N 2 2 327.432 1.613 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)n1 ZINC000945806553 701196533 /nfs/dbraw/zinc/19/65/33/701196533.db2.gz FEUPGMDRWWGBAQ-GDBMZVCRSA-N 2 2 343.431 1.314 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)n1 ZINC000945806553 701196537 /nfs/dbraw/zinc/19/65/37/701196537.db2.gz FEUPGMDRWWGBAQ-GDBMZVCRSA-N 2 2 343.431 1.314 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3nccs3)CC2(C)C)C1 ZINC000941215715 701401866 /nfs/dbraw/zinc/40/18/66/701401866.db2.gz AJZCITZFCFSJDS-UONOGXRCSA-N 2 2 336.505 1.812 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3nccs3)CC2(C)C)C1 ZINC000941215715 701401868 /nfs/dbraw/zinc/40/18/68/701401868.db2.gz AJZCITZFCFSJDS-UONOGXRCSA-N 2 2 336.505 1.812 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3nccs3)CC2(C)C)C1 ZINC000941215715 701401869 /nfs/dbraw/zinc/40/18/69/701401869.db2.gz AJZCITZFCFSJDS-UONOGXRCSA-N 2 2 336.505 1.812 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3nccs3)CC2(C)C)C1 ZINC000941215715 701401871 /nfs/dbraw/zinc/40/18/71/701401871.db2.gz AJZCITZFCFSJDS-UONOGXRCSA-N 2 2 336.505 1.812 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)no1 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703619627 /nfs/dbraw/zinc/61/96/27/703619627.db2.gz SFVRPZXZBBCYRM-NJAFHUGGSA-N 2 2 346.475 1.746 20 0 EDADLP Cc1oncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001032443320 703619628 /nfs/dbraw/zinc/61/96/28/703619628.db2.gz SFVRPZXZBBCYRM-NJAFHUGGSA-N 2 2 346.475 1.746 20 0 EDADLP Cc1oncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001032443320 703619630 /nfs/dbraw/zinc/61/96/30/703619630.db2.gz SFVRPZXZBBCYRM-NJAFHUGGSA-N 2 2 346.475 1.746 20 0 EDADLP Cc1oncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001032443320 703619632 /nfs/dbraw/zinc/61/96/32/703619632.db2.gz SFVRPZXZBBCYRM-NJAFHUGGSA-N 2 2 346.475 1.746 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1F ZINC000997412597 703668153 /nfs/dbraw/zinc/66/81/53/703668153.db2.gz HFNFPIHWQHFSEF-UHFFFAOYSA-N 2 2 346.406 1.812 20 0 EDADLP COc1ccc(F)cc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997416263 703669010 /nfs/dbraw/zinc/66/90/10/703669010.db2.gz JIFDGNDLLTYIHC-UHFFFAOYSA-N 2 2 346.406 1.812 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000997417774 703669384 /nfs/dbraw/zinc/66/93/84/703669384.db2.gz UGPDLYKJXLMUHO-GFCCVEGCSA-N 2 2 332.408 1.170 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cnns2)CC1 ZINC000997516520 703765777 /nfs/dbraw/zinc/76/57/77/703765777.db2.gz RQIVZONPSOLFIO-SWLSCSKDSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cnns2)CC1 ZINC000997516520 703765779 /nfs/dbraw/zinc/76/57/79/703765779.db2.gz RQIVZONPSOLFIO-SWLSCSKDSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997532009 703786115 /nfs/dbraw/zinc/78/61/15/703786115.db2.gz XYQHUKGRGLWLBB-YEZGLVMTSA-N 2 2 329.872 1.286 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C/C=C/Cl)CC1 ZINC000997532009 703786117 /nfs/dbraw/zinc/78/61/17/703786117.db2.gz XYQHUKGRGLWLBB-YEZGLVMTSA-N 2 2 329.872 1.286 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1Cc1ccns1 ZINC000947929956 703876581 /nfs/dbraw/zinc/87/65/81/703876581.db2.gz PIBCADYSZOOOJO-CHWSQXEVSA-N 2 2 333.461 1.588 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1Cc1ccns1 ZINC000947929956 703876582 /nfs/dbraw/zinc/87/65/82/703876582.db2.gz PIBCADYSZOOOJO-CHWSQXEVSA-N 2 2 333.461 1.588 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000997643107 703951125 /nfs/dbraw/zinc/95/11/25/703951125.db2.gz ZUDPUESWEJFSIC-BBRMVZONSA-N 2 2 348.495 1.314 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000997643107 703951127 /nfs/dbraw/zinc/95/11/27/703951127.db2.gz ZUDPUESWEJFSIC-BBRMVZONSA-N 2 2 348.495 1.314 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC001061431124 703981928 /nfs/dbraw/zinc/98/19/28/703981928.db2.gz VQEWWPCMKXMTLV-SJORKVTESA-N 2 2 345.491 1.971 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC001061431124 703981934 /nfs/dbraw/zinc/98/19/34/703981934.db2.gz VQEWWPCMKXMTLV-SJORKVTESA-N 2 2 345.491 1.971 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001004257131 704084536 /nfs/dbraw/zinc/08/45/36/704084536.db2.gz IYBZLPXYWXRNBX-UHFFFAOYSA-N 2 2 340.427 1.694 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000997816006 704737306 /nfs/dbraw/zinc/73/73/06/704737306.db2.gz GADWJNZTYBHZSE-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000997816006 704737307 /nfs/dbraw/zinc/73/73/07/704737307.db2.gz GADWJNZTYBHZSE-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997873072 704778255 /nfs/dbraw/zinc/77/82/55/704778255.db2.gz MJTAWTBHZPCZOA-IAGOWNOFSA-N 2 2 346.475 1.310 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)o1 ZINC000944945854 704798892 /nfs/dbraw/zinc/79/88/92/704798892.db2.gz SRQHOLSSAMSODQ-ZIAGYGMSSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)o1 ZINC000944945854 704798894 /nfs/dbraw/zinc/79/88/94/704798894.db2.gz SRQHOLSSAMSODQ-ZIAGYGMSSA-N 2 2 335.452 1.054 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000997914829 704977075 /nfs/dbraw/zinc/97/70/75/704977075.db2.gz LDDUBKUUUBEBNR-UHFFFAOYSA-N 2 2 334.449 1.071 20 0 EDADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001032585876 705074214 /nfs/dbraw/zinc/07/42/14/705074214.db2.gz XZBPUPOFHMKQGX-BZSNNMDCSA-N 2 2 335.492 1.715 20 0 EDADLP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001032585876 705074218 /nfs/dbraw/zinc/07/42/18/705074218.db2.gz XZBPUPOFHMKQGX-BZSNNMDCSA-N 2 2 335.492 1.715 20 0 EDADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001032585876 705074223 /nfs/dbraw/zinc/07/42/23/705074223.db2.gz XZBPUPOFHMKQGX-BZSNNMDCSA-N 2 2 335.492 1.715 20 0 EDADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001032585876 705074227 /nfs/dbraw/zinc/07/42/27/705074227.db2.gz XZBPUPOFHMKQGX-BZSNNMDCSA-N 2 2 335.492 1.715 20 0 EDADLP COc1ccnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000998116677 705372166 /nfs/dbraw/zinc/37/21/66/705372166.db2.gz WQAZGCCMZHYJDK-UHFFFAOYSA-N 2 2 343.431 1.384 20 0 EDADLP C[C@H](CC(=O)N1CCC(C[NH2+]Cc2csnn2)CC1)n1cc[nH+]c1 ZINC000998127602 705390134 /nfs/dbraw/zinc/39/01/34/705390134.db2.gz ROONTZHURQKKSU-CYBMUJFWSA-N 2 2 348.476 1.714 20 0 EDADLP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000998244353 705590719 /nfs/dbraw/zinc/59/07/19/705590719.db2.gz LTRZTTIFZJBKHF-UHFFFAOYSA-N 2 2 344.463 1.331 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2ncc(C)cn2)CC1 ZINC000998246373 705593802 /nfs/dbraw/zinc/59/38/02/705593802.db2.gz YWPLEZWAVGYXQX-UHFFFAOYSA-N 2 2 342.447 1.387 20 0 EDADLP CC(C)[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C(F)(F)F ZINC000998300568 705705503 /nfs/dbraw/zinc/70/55/03/705705503.db2.gz FBGKWNZVRHSPLC-OLZOCXBDSA-N 2 2 332.370 1.740 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000998535696 705969270 /nfs/dbraw/zinc/96/92/70/705969270.db2.gz OPGXPXGNQINSFY-RUXDESIVSA-N 2 2 333.436 1.120 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000998535696 705969272 /nfs/dbraw/zinc/96/92/72/705969272.db2.gz OPGXPXGNQINSFY-RUXDESIVSA-N 2 2 333.436 1.120 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000998723999 706155858 /nfs/dbraw/zinc/15/58/58/706155858.db2.gz TWOYGWQJFOYOBL-KGLIPLIRSA-N 2 2 333.436 1.122 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000998723999 706155859 /nfs/dbraw/zinc/15/58/59/706155859.db2.gz TWOYGWQJFOYOBL-KGLIPLIRSA-N 2 2 333.436 1.122 20 0 EDADLP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)o1 ZINC000998902936 706339804 /nfs/dbraw/zinc/33/98/04/706339804.db2.gz ZVOQHCZPAPHOCQ-RUXDESIVSA-N 2 2 344.419 1.231 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]Cc2ccon2)C1 ZINC000999007234 706426919 /nfs/dbraw/zinc/42/69/19/706426919.db2.gz MBVSUKQCYOUUJM-YGONEPDPSA-N 2 2 329.404 1.213 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000999011837 706431215 /nfs/dbraw/zinc/43/12/15/706431215.db2.gz QCICAFJZHMBDEG-KLAILNCOSA-N 2 2 339.443 1.620 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]Cc2cncs2)C1 ZINC000999005720 706446066 /nfs/dbraw/zinc/44/60/66/706446066.db2.gz UZUYXWMMSQANLW-IYXRBSQSSA-N 2 2 345.472 1.681 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999127833 706529472 /nfs/dbraw/zinc/52/94/72/706529472.db2.gz VPOMEDSDIKBVBQ-UHFFFAOYSA-N 2 2 344.419 1.231 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000999401676 706909900 /nfs/dbraw/zinc/90/99/00/706909900.db2.gz PRYGTTDGCQRGJU-CABCVRRESA-N 2 2 349.479 1.587 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000999401676 706909901 /nfs/dbraw/zinc/90/99/01/706909901.db2.gz PRYGTTDGCQRGJU-CABCVRRESA-N 2 2 349.479 1.587 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999422337 706927896 /nfs/dbraw/zinc/92/78/96/706927896.db2.gz QBWJIJMULYUJHZ-ARFHVFGLSA-N 2 2 332.448 1.520 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999422337 706927899 /nfs/dbraw/zinc/92/78/99/706927899.db2.gz QBWJIJMULYUJHZ-ARFHVFGLSA-N 2 2 332.448 1.520 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999508975 707006069 /nfs/dbraw/zinc/00/60/69/707006069.db2.gz IBVVDBURPSADGJ-GJZGRUSLSA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000999508975 707006070 /nfs/dbraw/zinc/00/60/70/707006070.db2.gz IBVVDBURPSADGJ-GJZGRUSLSA-N 2 2 347.463 1.512 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](CNc2nc(C)[nH+]c(C)c2C)C1 ZINC001060880614 707021340 /nfs/dbraw/zinc/02/13/40/707021340.db2.gz IYEJTHARLDSSPL-MRXNPFEDSA-N 2 2 342.447 1.867 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000999538964 707040076 /nfs/dbraw/zinc/04/00/76/707040076.db2.gz BWTAUQHOAHHJPP-NVXWUHKLSA-N 2 2 339.443 1.621 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000999683271 707168017 /nfs/dbraw/zinc/16/80/17/707168017.db2.gz QBHGGHYKNIILCZ-CABCVRRESA-N 2 2 328.416 1.565 20 0 EDADLP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999689204 707244777 /nfs/dbraw/zinc/24/47/77/707244777.db2.gz PJMCCQVKOGAIAU-UHFFFAOYSA-N 2 2 333.461 1.507 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999774418 707333393 /nfs/dbraw/zinc/33/33/93/707333393.db2.gz HDDIKEIIIUAACQ-AWEZNQCLSA-N 2 2 347.488 1.898 20 0 EDADLP CCc1nocc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999776174 707336340 /nfs/dbraw/zinc/33/63/40/707336340.db2.gz NRZLEXKXTDXMCP-OAHLLOKOSA-N 2 2 345.447 1.684 20 0 EDADLP C[C@@H]([NH2+]Cc1ccon1)[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004844888 707412273 /nfs/dbraw/zinc/41/22/73/707412273.db2.gz HDTMGINOFBLALP-HIFRSBDPSA-N 2 2 331.420 1.890 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001004891869 707572609 /nfs/dbraw/zinc/57/26/09/707572609.db2.gz BHDFZFCPDCJKOH-RDJZCZTQSA-N 2 2 344.463 1.484 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1nonc1C ZINC001004897763 707614449 /nfs/dbraw/zinc/61/44/49/707614449.db2.gz QSHDKCFVEAREFT-ZBFHGGJFSA-N 2 2 346.435 1.442 20 0 EDADLP Cc1nnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)[nH]1 ZINC001004921398 707682520 /nfs/dbraw/zinc/68/25/20/707682520.db2.gz QDZXRYONWFBDRC-DZGCQCFKSA-N 2 2 345.451 1.259 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](C/C=C\Cl)C2)C1 ZINC001033359303 707685214 /nfs/dbraw/zinc/68/52/14/707685214.db2.gz WOMFSNSACKHUNZ-VASHYATMSA-N 2 2 329.872 1.381 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](C/C=C\Cl)C2)C1 ZINC001033359303 707685216 /nfs/dbraw/zinc/68/52/16/707685216.db2.gz WOMFSNSACKHUNZ-VASHYATMSA-N 2 2 329.872 1.381 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C/C=C\Cl)C2)C1 ZINC001033359303 707685224 /nfs/dbraw/zinc/68/52/24/707685224.db2.gz WOMFSNSACKHUNZ-VASHYATMSA-N 2 2 329.872 1.381 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C/C=C\Cl)C2)C1 ZINC001033359303 707685226 /nfs/dbraw/zinc/68/52/26/707685226.db2.gz WOMFSNSACKHUNZ-VASHYATMSA-N 2 2 329.872 1.381 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730766 707730816 /nfs/dbraw/zinc/73/08/16/707730816.db2.gz PGQLDJXSNIWGJH-JYJNAYRXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730766 707730820 /nfs/dbraw/zinc/73/08/20/707730820.db2.gz PGQLDJXSNIWGJH-JYJNAYRXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032730766 707730824 /nfs/dbraw/zinc/73/08/24/707730824.db2.gz PGQLDJXSNIWGJH-JYJNAYRXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032730766 707730829 /nfs/dbraw/zinc/73/08/29/707730829.db2.gz PGQLDJXSNIWGJH-JYJNAYRXSA-N 2 2 346.475 1.672 20 0 EDADLP Cc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)sn1 ZINC001032731855 707735026 /nfs/dbraw/zinc/73/50/26/707735026.db2.gz RJJTUGJYCUYCNJ-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)sn1 ZINC001032731855 707735031 /nfs/dbraw/zinc/73/50/31/707735031.db2.gz RJJTUGJYCUYCNJ-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)sn1 ZINC001032731855 707735032 /nfs/dbraw/zinc/73/50/32/707735032.db2.gz RJJTUGJYCUYCNJ-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)sn1 ZINC001032731855 707735035 /nfs/dbraw/zinc/73/50/35/707735035.db2.gz RJJTUGJYCUYCNJ-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033413321 707782895 /nfs/dbraw/zinc/78/28/95/707782895.db2.gz FNGXUCSCGQLGAF-GDBMZVCRSA-N 2 2 346.475 1.931 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033413321 707782900 /nfs/dbraw/zinc/78/29/00/707782900.db2.gz FNGXUCSCGQLGAF-GDBMZVCRSA-N 2 2 346.475 1.931 20 0 EDADLP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004968975 707791905 /nfs/dbraw/zinc/79/19/05/707791905.db2.gz YDDLEDJFXWVALP-HIFRSBDPSA-N 2 2 330.436 1.245 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033416853 707797692 /nfs/dbraw/zinc/79/76/92/707797692.db2.gz SAYCWQOKHGRTAE-WMLDXEAASA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033416853 707797697 /nfs/dbraw/zinc/79/76/97/707797697.db2.gz SAYCWQOKHGRTAE-WMLDXEAASA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033416853 707797700 /nfs/dbraw/zinc/79/77/00/707797700.db2.gz SAYCWQOKHGRTAE-WMLDXEAASA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033416853 707797705 /nfs/dbraw/zinc/79/77/05/707797705.db2.gz SAYCWQOKHGRTAE-WMLDXEAASA-N 2 2 334.439 1.738 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1 ZINC001032753743 707825709 /nfs/dbraw/zinc/82/57/09/707825709.db2.gz KXLATCMTQLMIDB-IRXDYDNUSA-N 2 2 346.475 1.753 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1 ZINC001032753743 707825714 /nfs/dbraw/zinc/82/57/14/707825714.db2.gz KXLATCMTQLMIDB-IRXDYDNUSA-N 2 2 346.475 1.753 20 0 EDADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033426733 707848844 /nfs/dbraw/zinc/84/88/44/707848844.db2.gz UFHRICAROHPQRQ-CQSZACIVSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033426733 707848847 /nfs/dbraw/zinc/84/88/47/707848847.db2.gz UFHRICAROHPQRQ-CQSZACIVSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2ccns2)C1 ZINC001033426733 707848850 /nfs/dbraw/zinc/84/88/50/707848850.db2.gz UFHRICAROHPQRQ-CQSZACIVSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2ccns2)C1 ZINC001033426733 707848853 /nfs/dbraw/zinc/84/88/53/707848853.db2.gz UFHRICAROHPQRQ-CQSZACIVSA-N 2 2 336.505 1.908 20 0 EDADLP C[C@@H]([NH2+]Cc1csnn1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004993145 707875754 /nfs/dbraw/zinc/87/57/54/707875754.db2.gz PXZKTKFCDLFXLJ-HIFRSBDPSA-N 2 2 337.493 1.493 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033452410 707895676 /nfs/dbraw/zinc/89/56/76/707895676.db2.gz KKEJNQNHPIJFOA-IAGOWNOFSA-N 2 2 334.464 1.426 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033452410 707895679 /nfs/dbraw/zinc/89/56/79/707895679.db2.gz KKEJNQNHPIJFOA-IAGOWNOFSA-N 2 2 334.464 1.426 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001033466331 707923742 /nfs/dbraw/zinc/92/37/42/707923742.db2.gz JRSHKVOWGVNNME-HUUCEWRRSA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C)C1 ZINC001033466331 707923746 /nfs/dbraw/zinc/92/37/46/707923746.db2.gz JRSHKVOWGVNNME-HUUCEWRRSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnnn2C)C1)[NH+]1CCCCCC1 ZINC001033467934 707927240 /nfs/dbraw/zinc/92/72/40/707927240.db2.gz ULWJWCJNBHBXRM-HZPDHXFCSA-N 2 2 348.495 1.112 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnnn2C)C1)[NH+]1CCCCCC1 ZINC001033467934 707927243 /nfs/dbraw/zinc/92/72/43/707927243.db2.gz ULWJWCJNBHBXRM-HZPDHXFCSA-N 2 2 348.495 1.112 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)nn1C ZINC001033473532 707962330 /nfs/dbraw/zinc/96/23/30/707962330.db2.gz AQRJSGWTTVCBPX-SFHVURJKSA-N 2 2 347.507 1.493 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)nn1C ZINC001033473532 707962333 /nfs/dbraw/zinc/96/23/33/707962333.db2.gz AQRJSGWTTVCBPX-SFHVURJKSA-N 2 2 347.507 1.493 20 0 EDADLP Cc1ncsc1C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001000799140 708066754 /nfs/dbraw/zinc/06/67/54/708066754.db2.gz XGPKDHXYUZSNKX-CYBMUJFWSA-N 2 2 333.461 1.806 20 0 EDADLP CCn1c(C)nnc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005178862 708120874 /nfs/dbraw/zinc/12/08/74/708120874.db2.gz LYETUTSIKJNXIK-INIZCTEOSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1c(C)nnc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005178862 708120875 /nfs/dbraw/zinc/12/08/75/708120875.db2.gz LYETUTSIKJNXIK-INIZCTEOSA-N 2 2 348.495 1.123 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033593667 708294495 /nfs/dbraw/zinc/29/44/95/708294495.db2.gz JNPPVBUFQNOYLI-ZDUSSCGKSA-N 2 2 333.461 1.460 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033593667 708294497 /nfs/dbraw/zinc/29/44/97/708294497.db2.gz JNPPVBUFQNOYLI-ZDUSSCGKSA-N 2 2 333.461 1.460 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033585601 708313470 /nfs/dbraw/zinc/31/34/70/708313470.db2.gz KQBLLBYYXAPIPI-CYBMUJFWSA-N 2 2 345.472 1.951 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033585601 708313474 /nfs/dbraw/zinc/31/34/74/708313474.db2.gz KQBLLBYYXAPIPI-CYBMUJFWSA-N 2 2 345.472 1.951 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001033616595 708342836 /nfs/dbraw/zinc/34/28/36/708342836.db2.gz JMXMGWITKSYVAT-GXTWGEPZSA-N 2 2 342.390 1.218 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001033616595 708342838 /nfs/dbraw/zinc/34/28/38/708342838.db2.gz JMXMGWITKSYVAT-GXTWGEPZSA-N 2 2 342.390 1.218 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033621427 708354478 /nfs/dbraw/zinc/35/44/78/708354478.db2.gz VSYRPFZUWOZUPI-CQSZACIVSA-N 2 2 331.420 1.598 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033621427 708354481 /nfs/dbraw/zinc/35/44/81/708354481.db2.gz VSYRPFZUWOZUPI-CQSZACIVSA-N 2 2 331.420 1.598 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033621462 708355418 /nfs/dbraw/zinc/35/54/18/708355418.db2.gz WILCBKHCEPOWHT-HNNXBMFYSA-N 2 2 330.436 1.035 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033621462 708355421 /nfs/dbraw/zinc/35/54/21/708355421.db2.gz WILCBKHCEPOWHT-HNNXBMFYSA-N 2 2 330.436 1.035 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001033665387 708448191 /nfs/dbraw/zinc/44/81/91/708448191.db2.gz NTUILNBQMXMFKA-KBPBESRZSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001033665387 708448192 /nfs/dbraw/zinc/44/81/92/708448192.db2.gz NTUILNBQMXMFKA-KBPBESRZSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2c(F)cccc2F)C1 ZINC001033665387 708448194 /nfs/dbraw/zinc/44/81/94/708448194.db2.gz NTUILNBQMXMFKA-KBPBESRZSA-N 2 2 337.414 1.949 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2c(F)cccc2F)C1 ZINC001033665387 708448196 /nfs/dbraw/zinc/44/81/96/708448196.db2.gz NTUILNBQMXMFKA-KBPBESRZSA-N 2 2 337.414 1.949 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ncccn2)CC1 ZINC001002159018 708673139 /nfs/dbraw/zinc/67/31/39/708673139.db2.gz NHNSFVJWARCXIJ-QGZVFWFLSA-N 2 2 345.491 1.679 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ncccn2)CC1 ZINC001002159018 708673141 /nfs/dbraw/zinc/67/31/41/708673141.db2.gz NHNSFVJWARCXIJ-QGZVFWFLSA-N 2 2 345.491 1.679 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033788585 708698913 /nfs/dbraw/zinc/69/89/13/708698913.db2.gz HWLBGTXNGRZYIC-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033788585 708698914 /nfs/dbraw/zinc/69/89/14/708698914.db2.gz HWLBGTXNGRZYIC-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033788585 708698915 /nfs/dbraw/zinc/69/89/15/708698915.db2.gz HWLBGTXNGRZYIC-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001033788585 708698916 /nfs/dbraw/zinc/69/89/16/708698916.db2.gz HWLBGTXNGRZYIC-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033789418 708700114 /nfs/dbraw/zinc/70/01/14/708700114.db2.gz NXWAASOTXKICTK-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033789418 708700115 /nfs/dbraw/zinc/70/01/15/708700115.db2.gz NXWAASOTXKICTK-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033789418 708700116 /nfs/dbraw/zinc/70/01/16/708700116.db2.gz NXWAASOTXKICTK-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001033789418 708700117 /nfs/dbraw/zinc/70/01/17/708700117.db2.gz NXWAASOTXKICTK-ROUUACIJSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001033777012 708704239 /nfs/dbraw/zinc/70/42/39/708704239.db2.gz SECRWPNZLNDOGL-UKRRQHHQSA-N 2 2 336.436 1.200 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001033777012 708704240 /nfs/dbraw/zinc/70/42/40/708704240.db2.gz SECRWPNZLNDOGL-UKRRQHHQSA-N 2 2 336.436 1.200 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001033777012 708704241 /nfs/dbraw/zinc/70/42/41/708704241.db2.gz SECRWPNZLNDOGL-UKRRQHHQSA-N 2 2 336.436 1.200 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033777349 708705277 /nfs/dbraw/zinc/70/52/77/708705277.db2.gz VEAUFHBHWXYVPA-WBVHZDCISA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033777349 708705279 /nfs/dbraw/zinc/70/52/79/708705279.db2.gz VEAUFHBHWXYVPA-WBVHZDCISA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001033777349 708705281 /nfs/dbraw/zinc/70/52/81/708705281.db2.gz VEAUFHBHWXYVPA-WBVHZDCISA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001033777349 708705282 /nfs/dbraw/zinc/70/52/82/708705282.db2.gz VEAUFHBHWXYVPA-WBVHZDCISA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H]1CC[N@H+](CCO)C1 ZINC001033839585 708869873 /nfs/dbraw/zinc/86/98/73/708869873.db2.gz XYZOYYLQSBWMPL-IXDOHACOSA-N 2 2 346.475 1.069 20 0 EDADLP CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033839585 708869878 /nfs/dbraw/zinc/86/98/78/708869878.db2.gz XYZOYYLQSBWMPL-IXDOHACOSA-N 2 2 346.475 1.069 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033928280 709059687 /nfs/dbraw/zinc/05/96/87/709059687.db2.gz WKQPWMGPEFLOPL-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033928280 709059690 /nfs/dbraw/zinc/05/96/90/709059690.db2.gz WKQPWMGPEFLOPL-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033928280 709059693 /nfs/dbraw/zinc/05/96/93/709059693.db2.gz WKQPWMGPEFLOPL-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033928280 709059698 /nfs/dbraw/zinc/05/96/98/709059698.db2.gz WKQPWMGPEFLOPL-RDJZCZTQSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nonc2C)CC1 ZINC001005476448 709113129 /nfs/dbraw/zinc/11/31/29/709113129.db2.gz MCKNGONQWBJLIZ-KRWDZBQOSA-N 2 2 349.479 1.675 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2nonc2C)CC1 ZINC001005476448 709113132 /nfs/dbraw/zinc/11/31/32/709113132.db2.gz MCKNGONQWBJLIZ-KRWDZBQOSA-N 2 2 349.479 1.675 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)cn1 ZINC000131914342 709269748 /nfs/dbraw/zinc/26/97/48/709269748.db2.gz IAPSWPNQHYCGSV-UHFFFAOYSA-N 2 2 338.415 1.416 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)cn1 ZINC000131914342 709269751 /nfs/dbraw/zinc/26/97/51/709269751.db2.gz IAPSWPNQHYCGSV-UHFFFAOYSA-N 2 2 338.415 1.416 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)no1 ZINC001002791400 709399330 /nfs/dbraw/zinc/39/93/30/709399330.db2.gz HNHKGNXTWONKMD-QGZVFWFLSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)no1 ZINC001002791400 709399332 /nfs/dbraw/zinc/39/93/32/709399332.db2.gz HNHKGNXTWONKMD-QGZVFWFLSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC001002791985 709400176 /nfs/dbraw/zinc/40/01/76/709400176.db2.gz LKLHFXCBHJBNHJ-CJNGLKHVSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC001002791985 709400177 /nfs/dbraw/zinc/40/01/77/709400177.db2.gz LKLHFXCBHJBNHJ-CJNGLKHVSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1ncsc1CC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001043740917 709423586 /nfs/dbraw/zinc/42/35/86/709423586.db2.gz MWPXRQCKJSAESZ-UHFFFAOYSA-N 2 2 336.505 1.478 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccnc1 ZINC000922077723 709590665 /nfs/dbraw/zinc/59/06/65/709590665.db2.gz OYKBXHDMFZADKU-JKSUJKDBSA-N 2 2 342.447 1.585 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001002954686 709655134 /nfs/dbraw/zinc/65/51/34/709655134.db2.gz IKXCHOXTGLUCCK-QGZVFWFLSA-N 2 2 345.491 1.740 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001002954686 709655138 /nfs/dbraw/zinc/65/51/38/709655138.db2.gz IKXCHOXTGLUCCK-QGZVFWFLSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)cc[nH+]1 ZINC001061220817 709787029 /nfs/dbraw/zinc/78/70/29/709787029.db2.gz MMKASYVMKWKYAI-HNNXBMFYSA-N 2 2 329.448 1.308 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC001034396736 709935524 /nfs/dbraw/zinc/93/55/24/709935524.db2.gz HFXAVTYZZYOMNL-DOTOQJQBSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001034396736 709935528 /nfs/dbraw/zinc/93/55/28/709935528.db2.gz HFXAVTYZZYOMNL-DOTOQJQBSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001034396736 709935529 /nfs/dbraw/zinc/93/55/29/709935529.db2.gz HFXAVTYZZYOMNL-DOTOQJQBSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001034396736 709935532 /nfs/dbraw/zinc/93/55/32/709935532.db2.gz HFXAVTYZZYOMNL-DOTOQJQBSA-N 2 2 345.491 1.598 20 0 EDADLP O=C(NC1CC[NH+](CCn2cncn2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001003155809 710058099 /nfs/dbraw/zinc/05/80/99/710058099.db2.gz CZGQRCQBYXBIHF-UHFFFAOYSA-N 2 2 339.403 1.049 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001003191911 710090261 /nfs/dbraw/zinc/09/02/61/710090261.db2.gz AEGVQRKVPOFOTI-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034489088 710137978 /nfs/dbraw/zinc/13/79/78/710137978.db2.gz ZZPFONIXSZCFQT-INIZCTEOSA-N 2 2 343.475 1.352 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034489088 710137979 /nfs/dbraw/zinc/13/79/79/710137979.db2.gz ZZPFONIXSZCFQT-INIZCTEOSA-N 2 2 343.475 1.352 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+]([C@@H](C)c2cnc(C)cn2)CC1 ZINC001003319555 710248214 /nfs/dbraw/zinc/24/82/14/710248214.db2.gz WIJPGUIBLZQUOK-HNNXBMFYSA-N 2 2 342.447 1.632 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)on1 ZINC001003625211 710454353 /nfs/dbraw/zinc/45/43/53/710454353.db2.gz CNFPVQNTNQZMLE-CYBMUJFWSA-N 2 2 336.436 1.106 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)on1 ZINC001003625211 710454354 /nfs/dbraw/zinc/45/43/54/710454354.db2.gz CNFPVQNTNQZMLE-CYBMUJFWSA-N 2 2 336.436 1.106 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003632624 710461123 /nfs/dbraw/zinc/46/11/23/710461123.db2.gz BIAPVNJIEDUAID-BBRMVZONSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003632624 710461124 /nfs/dbraw/zinc/46/11/24/710461124.db2.gz BIAPVNJIEDUAID-BBRMVZONSA-N 2 2 331.464 1.063 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1)[NH+]1CCCCCC1 ZINC001003736058 710517421 /nfs/dbraw/zinc/51/74/21/710517421.db2.gz QTHOKBVKNMSNKP-HNNXBMFYSA-N 2 2 348.495 1.160 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](Cc2ncccn2)CC1)[NH+]1CCCCCC1 ZINC001003736878 710518023 /nfs/dbraw/zinc/51/80/23/710518023.db2.gz YPFRXGGUSCGVIK-MRXNPFEDSA-N 2 2 345.491 1.822 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000922257014 710535815 /nfs/dbraw/zinc/53/58/15/710535815.db2.gz QKXMAQHIFHZSKK-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000922257014 710535817 /nfs/dbraw/zinc/53/58/17/710535817.db2.gz QKXMAQHIFHZSKK-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3cnns3)CC2)CC1 ZINC001003841171 710674200 /nfs/dbraw/zinc/67/42/00/710674200.db2.gz JMIMRUKSTFNXAY-UHFFFAOYSA-N 2 2 337.493 1.351 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001044295377 710680649 /nfs/dbraw/zinc/68/06/49/710680649.db2.gz ICSNICVIUKVSOB-GFCCVEGCSA-N 2 2 345.274 1.918 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005620511 710727677 /nfs/dbraw/zinc/72/76/77/710727677.db2.gz FHVLHZAGUSYPDG-CVEARBPZSA-N 2 2 346.475 1.405 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2nccc(C)n2)CC1 ZINC001034692324 710780656 /nfs/dbraw/zinc/78/06/56/710780656.db2.gz GGIHVJSUAQQSNA-WKILWMFISA-N 2 2 342.447 1.507 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC001034693038 710783153 /nfs/dbraw/zinc/78/31/53/710783153.db2.gz SQCZOKPYJMMCCU-QEJZJMRPSA-N 2 2 346.435 1.661 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC001003900872 710884856 /nfs/dbraw/zinc/88/48/56/710884856.db2.gz SBKMPZMPYOCBAA-CQSZACIVSA-N 2 2 343.431 1.496 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001032944440 710920708 /nfs/dbraw/zinc/92/07/08/710920708.db2.gz KSSAWQSBCHTMMQ-GOEBONIOSA-N 2 2 342.443 1.955 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001032944440 710920713 /nfs/dbraw/zinc/92/07/13/710920713.db2.gz KSSAWQSBCHTMMQ-GOEBONIOSA-N 2 2 342.443 1.955 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001032944440 710920717 /nfs/dbraw/zinc/92/07/17/710920717.db2.gz KSSAWQSBCHTMMQ-GOEBONIOSA-N 2 2 342.443 1.955 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001032944440 710920723 /nfs/dbraw/zinc/92/07/23/710920723.db2.gz KSSAWQSBCHTMMQ-GOEBONIOSA-N 2 2 342.443 1.955 20 0 EDADLP Cc1cc(F)ccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032971850 711035591 /nfs/dbraw/zinc/03/55/91/711035591.db2.gz ABOUWMBXEPWGBQ-ZWKOTPCHSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032971850 711035593 /nfs/dbraw/zinc/03/55/93/711035593.db2.gz ABOUWMBXEPWGBQ-ZWKOTPCHSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032971850 711035597 /nfs/dbraw/zinc/03/55/97/711035597.db2.gz ABOUWMBXEPWGBQ-ZWKOTPCHSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032971850 711035599 /nfs/dbraw/zinc/03/55/99/711035599.db2.gz ABOUWMBXEPWGBQ-ZWKOTPCHSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)[nH]1 ZINC001034795288 711112746 /nfs/dbraw/zinc/11/27/46/711112746.db2.gz ZDCHZSXWUAUSFC-CQDKDKBSSA-N 2 2 345.451 1.396 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC001034800177 711139338 /nfs/dbraw/zinc/13/93/38/711139338.db2.gz YWAMJAVCVKCWIE-HDJSIYSDSA-N 2 2 345.451 1.342 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001034885803 711290243 /nfs/dbraw/zinc/29/02/43/711290243.db2.gz ZRKZWXCSPOOUAN-ZIAGYGMSSA-N 2 2 333.436 1.122 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1 ZINC001034885803 711290247 /nfs/dbraw/zinc/29/02/47/711290247.db2.gz ZRKZWXCSPOOUAN-ZIAGYGMSSA-N 2 2 333.436 1.122 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)cc(C)[nH+]1 ZINC001061380484 711330870 /nfs/dbraw/zinc/33/08/70/711330870.db2.gz XJYNYRFBJIFFKK-HNNXBMFYSA-N 2 2 343.475 1.528 20 0 EDADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)o1 ZINC001034957920 711430409 /nfs/dbraw/zinc/43/04/09/711430409.db2.gz POZMRMCOBXKMSH-CQSZACIVSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)o1 ZINC001034957920 711430413 /nfs/dbraw/zinc/43/04/13/711430413.db2.gz POZMRMCOBXKMSH-CQSZACIVSA-N 2 2 335.452 1.197 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]ccn32)on1 ZINC001034958145 711431017 /nfs/dbraw/zinc/43/10/17/711431017.db2.gz BLEXFNJQAIHCLI-GDBMZVCRSA-N 2 2 343.431 1.838 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631528 712019484 /nfs/dbraw/zinc/01/94/84/712019484.db2.gz MDSFFQZUMYEKKH-FIDHJVLJSA-N 2 2 346.475 1.719 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631528 712019485 /nfs/dbraw/zinc/01/94/85/712019485.db2.gz MDSFFQZUMYEKKH-FIDHJVLJSA-N 2 2 346.475 1.719 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631528 712019487 /nfs/dbraw/zinc/01/94/87/712019487.db2.gz MDSFFQZUMYEKKH-FIDHJVLJSA-N 2 2 346.475 1.719 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631528 712019489 /nfs/dbraw/zinc/01/94/89/712019489.db2.gz MDSFFQZUMYEKKH-FIDHJVLJSA-N 2 2 346.475 1.719 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642366 712126876 /nfs/dbraw/zinc/12/68/76/712126876.db2.gz GMDFNBWAGZAWRL-GASCZTMLSA-N 2 2 342.443 1.993 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]2C1 ZINC000946642366 712126877 /nfs/dbraw/zinc/12/68/77/712126877.db2.gz GMDFNBWAGZAWRL-GASCZTMLSA-N 2 2 342.443 1.993 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000174563424 282148352 /nfs/dbraw/zinc/14/83/52/282148352.db2.gz BSTAIPYLDFPQJM-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP CCc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH]n1 ZINC000154258539 529513498 /nfs/dbraw/zinc/51/34/98/529513498.db2.gz VYRJVLLIFKADRA-XYPWUTKMSA-N 2 2 331.464 1.355 20 0 EDADLP CCc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]n1 ZINC000154258539 529513500 /nfs/dbraw/zinc/51/35/00/529513500.db2.gz VYRJVLLIFKADRA-XYPWUTKMSA-N 2 2 331.464 1.355 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1F ZINC000180909367 529654921 /nfs/dbraw/zinc/65/49/21/529654921.db2.gz IWUMPVHSEMMFGA-QAPCUYQASA-N 2 2 349.450 1.800 20 0 EDADLP Cc1c(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cnn1C ZINC000559327948 306253927 /nfs/dbraw/zinc/25/39/27/306253927.db2.gz JKLLZYZVYMOVFF-INIZCTEOSA-N 2 2 327.432 1.846 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc(-c2ccccc2)no1 ZINC000129785797 529887782 /nfs/dbraw/zinc/88/77/82/529887782.db2.gz GXQQWDDVLZQREI-UHFFFAOYSA-N 2 2 329.448 1.806 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc(-c2ccccc2)no1 ZINC000129785797 529887783 /nfs/dbraw/zinc/88/77/83/529887783.db2.gz GXQQWDDVLZQREI-UHFFFAOYSA-N 2 2 329.448 1.806 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2n2cncn2)C1 ZINC000559732322 306258126 /nfs/dbraw/zinc/25/81/26/306258126.db2.gz MGSZBWGPDMORRN-MLHJIOFPSA-N 2 2 335.496 1.954 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2n2cncn2)C1 ZINC000559732322 306258127 /nfs/dbraw/zinc/25/81/27/306258127.db2.gz MGSZBWGPDMORRN-MLHJIOFPSA-N 2 2 335.496 1.954 20 0 EDADLP C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](C)CC1 ZINC000101626490 219147589 /nfs/dbraw/zinc/14/75/89/219147589.db2.gz ACTKWTJDPKYIFF-CVEARBPZSA-N 2 2 334.464 1.169 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C2 ZINC000560494109 306271833 /nfs/dbraw/zinc/27/18/33/306271833.db2.gz YBFULQCHSDXOJM-YXWQFLTLSA-N 2 2 348.491 1.419 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000561147656 306282755 /nfs/dbraw/zinc/28/27/55/306282755.db2.gz UAYUHHCKQVQQNQ-AEFFLSMTSA-N 2 2 346.475 1.372 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562370000 306296577 /nfs/dbraw/zinc/29/65/77/306296577.db2.gz IUYUDFHVPXNKEC-ZDUSSCGKSA-N 2 2 331.424 1.336 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000562606666 306302579 /nfs/dbraw/zinc/30/25/79/306302579.db2.gz RRMXOXVIDJBJLH-OAHLLOKOSA-N 2 2 328.420 1.884 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000562606666 306302580 /nfs/dbraw/zinc/30/25/80/306302580.db2.gz RRMXOXVIDJBJLH-OAHLLOKOSA-N 2 2 328.420 1.884 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000562839650 306311069 /nfs/dbraw/zinc/31/10/69/306311069.db2.gz ZTLBLGGJPPZYIZ-LPMFXHHGSA-N 2 2 344.459 1.728 20 0 EDADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000163620649 540055216 /nfs/dbraw/zinc/05/52/16/540055216.db2.gz HJCMOIGPIAJOEG-AWEZNQCLSA-N 2 2 330.436 1.424 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000381071937 540178022 /nfs/dbraw/zinc/17/80/22/540178022.db2.gz POPOIVRSBIHIRB-OAHLLOKOSA-N 2 2 339.505 1.521 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000381071937 540178026 /nfs/dbraw/zinc/17/80/26/540178026.db2.gz POPOIVRSBIHIRB-OAHLLOKOSA-N 2 2 339.505 1.521 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC[NH2+]CC1 ZINC000563450648 306334061 /nfs/dbraw/zinc/33/40/61/306334061.db2.gz WWVWRWOOBKSKFI-UHFFFAOYSA-N 2 2 329.404 1.263 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000563560654 306338988 /nfs/dbraw/zinc/33/89/88/306338988.db2.gz PAUIYJKITAXGGO-KRWDZBQOSA-N 2 2 334.464 1.359 20 0 EDADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000078802602 138258990 /nfs/dbraw/zinc/25/89/90/138258990.db2.gz SXKJKLBNPIMSTH-UHFFFAOYSA-N 2 2 340.512 1.472 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000563580757 306339612 /nfs/dbraw/zinc/33/96/12/306339612.db2.gz LPBZSLFDLJZOCB-RCCFBDPRSA-N 2 2 330.476 1.997 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000563580757 306339613 /nfs/dbraw/zinc/33/96/13/306339613.db2.gz LPBZSLFDLJZOCB-RCCFBDPRSA-N 2 2 330.476 1.997 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCN1C(=O)CNC1=O ZINC000091075525 138281794 /nfs/dbraw/zinc/28/17/94/138281794.db2.gz FIHHQSSBGBUDTJ-UHFFFAOYSA-N 2 2 332.448 1.429 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCN1C(=O)CNC1=O ZINC000091075525 138281795 /nfs/dbraw/zinc/28/17/95/138281795.db2.gz FIHHQSSBGBUDTJ-UHFFFAOYSA-N 2 2 332.448 1.429 20 0 EDADLP COc1ncncc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120292977 138315296 /nfs/dbraw/zinc/31/52/96/138315296.db2.gz PWNFOAGODXDNKM-UHFFFAOYSA-N 2 2 348.451 1.165 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)C2 ZINC000122278278 138318021 /nfs/dbraw/zinc/31/80/21/138318021.db2.gz UQWOGSGAATVFKU-GJZGRUSLSA-N 2 2 333.457 1.958 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131886313 138367407 /nfs/dbraw/zinc/36/74/07/138367407.db2.gz RNWMHEBTQFMMQT-QGZVFWFLSA-N 2 2 335.448 1.714 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131886313 138367409 /nfs/dbraw/zinc/36/74/09/138367409.db2.gz RNWMHEBTQFMMQT-QGZVFWFLSA-N 2 2 335.448 1.714 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000133579395 138395350 /nfs/dbraw/zinc/39/53/50/138395350.db2.gz YOBJCFPJSFOHRG-IAGOWNOFSA-N 3 2 332.496 1.061 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000133579395 138395351 /nfs/dbraw/zinc/39/53/51/138395351.db2.gz YOBJCFPJSFOHRG-IAGOWNOFSA-N 3 2 332.496 1.061 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H](C[NH3+])C1 ZINC000563944593 306352849 /nfs/dbraw/zinc/35/28/49/306352849.db2.gz PEPOLHLOSWXAAD-ZDUSSCGKSA-N 2 2 329.404 1.812 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)[C@@H](C[NH3+])C1 ZINC000563944593 306352850 /nfs/dbraw/zinc/35/28/50/306352850.db2.gz PEPOLHLOSWXAAD-ZDUSSCGKSA-N 2 2 329.404 1.812 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)C1CC1 ZINC000564793584 306365040 /nfs/dbraw/zinc/36/50/40/306365040.db2.gz QURQDCRHOKBBPQ-ZFWWWQNUSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)C1CC1 ZINC000564793584 306365041 /nfs/dbraw/zinc/36/50/41/306365041.db2.gz QURQDCRHOKBBPQ-ZFWWWQNUSA-N 2 2 337.851 1.490 20 0 EDADLP OC[C@@H](CC1CCCC1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000564978600 306371803 /nfs/dbraw/zinc/37/18/03/306371803.db2.gz NRDZVPUYWSOSTQ-WOJBJXKFSA-N 2 2 332.488 1.936 20 0 EDADLP OC[C@@H](CC1CCCC1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000564978600 306371804 /nfs/dbraw/zinc/37/18/04/306371804.db2.gz NRDZVPUYWSOSTQ-WOJBJXKFSA-N 2 2 332.488 1.936 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000565353142 306382184 /nfs/dbraw/zinc/38/21/84/306382184.db2.gz CINRVFHPVLOMMG-AEFFLSMTSA-N 2 2 346.475 1.391 20 0 EDADLP C[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[NH+]1CCSCC1 ZINC000130734024 223173390 /nfs/dbraw/zinc/17/33/90/223173390.db2.gz GCIVZZPWTOJDSY-CJNGLKHVSA-N 2 2 339.480 1.982 20 0 EDADLP Cc1nnc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)[nH]1 ZINC000565634517 306388012 /nfs/dbraw/zinc/38/80/12/306388012.db2.gz DJZZGAUJFLHTGH-ZIAGYGMSSA-N 2 2 337.468 1.203 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@H](C[NH3+])C1 ZINC000565645251 306388579 /nfs/dbraw/zinc/38/85/79/306388579.db2.gz QQGMJWQBRAPZRO-SNVBAGLBSA-N 2 2 332.326 1.534 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@H](C[NH3+])C1 ZINC000565645251 306388580 /nfs/dbraw/zinc/38/85/80/306388580.db2.gz QQGMJWQBRAPZRO-SNVBAGLBSA-N 2 2 332.326 1.534 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000171718382 296062353 /nfs/dbraw/zinc/06/23/53/296062353.db2.gz VZRPJNBPUDSSFI-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[NH+]1CCN(C)CC1 ZINC000566066255 306397647 /nfs/dbraw/zinc/39/76/47/306397647.db2.gz JAOUOCPYOLHITM-SJLPKXTDSA-N 2 2 338.540 1.816 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000415056171 304155155 /nfs/dbraw/zinc/15/51/55/304155155.db2.gz RROPSJVOMYQZAN-ZWKOTPCHSA-N 3 2 344.507 1.192 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000415056171 304155156 /nfs/dbraw/zinc/15/51/56/304155156.db2.gz RROPSJVOMYQZAN-ZWKOTPCHSA-N 3 2 344.507 1.192 20 0 EDADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000415075403 304157644 /nfs/dbraw/zinc/15/76/44/304157644.db2.gz FCLHZDPAHJOMSO-QGZVFWFLSA-N 3 2 333.476 1.487 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(Br)cc1F)C1CC([NH3+])C1 ZINC000384984661 319127463 /nfs/dbraw/zinc/12/74/63/319127463.db2.gz JUMRZGVDJIEQPH-UHFFFAOYSA-N 2 2 330.201 1.948 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cc1F)C1CC([NH3+])C1 ZINC000384984661 319127465 /nfs/dbraw/zinc/12/74/65/319127465.db2.gz JUMRZGVDJIEQPH-UHFFFAOYSA-N 2 2 330.201 1.948 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000195149346 139007955 /nfs/dbraw/zinc/00/79/55/139007955.db2.gz HJHBSKYETKSUFK-IJEWVQPXSA-N 2 2 332.448 1.311 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000415141998 304163895 /nfs/dbraw/zinc/16/38/95/304163895.db2.gz QGIJVTGDSYPLHM-UHFFFAOYSA-N 2 2 342.447 1.504 20 0 EDADLP CC(C)(C)CC[NH+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000110256984 220027322 /nfs/dbraw/zinc/02/73/22/220027322.db2.gz ZKWURLPNBICFFW-MRXNPFEDSA-N 2 2 347.507 1.996 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500522 284341134 /nfs/dbraw/zinc/34/11/34/284341134.db2.gz NVHDGHBQYLDPAP-HUUCEWRRSA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500522 284341135 /nfs/dbraw/zinc/34/11/35/284341135.db2.gz NVHDGHBQYLDPAP-HUUCEWRRSA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500522 284341136 /nfs/dbraw/zinc/34/11/36/284341136.db2.gz NVHDGHBQYLDPAP-HUUCEWRRSA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000496500522 284341137 /nfs/dbraw/zinc/34/11/37/284341137.db2.gz NVHDGHBQYLDPAP-HUUCEWRRSA-N 2 2 329.485 1.630 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)[C@H]2CC[NH2+]C2)c2[nH+]ccn2C)c1 ZINC000237370282 139049420 /nfs/dbraw/zinc/04/94/20/139049420.db2.gz LKSDLGPFMLYVDT-LRDDRELGSA-N 2 2 344.415 1.252 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000237379771 139049598 /nfs/dbraw/zinc/04/95/98/139049598.db2.gz MOJFSJQLYRNYKW-MRXNPFEDSA-N 2 2 333.432 1.100 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000110922393 220081741 /nfs/dbraw/zinc/08/17/41/220081741.db2.gz ODUXDSKTRHUZAU-SFHVURJKSA-N 2 2 333.476 1.860 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000110922393 220081743 /nfs/dbraw/zinc/08/17/43/220081743.db2.gz ODUXDSKTRHUZAU-SFHVURJKSA-N 2 2 333.476 1.860 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCCCC3)c[nH+]2)CCO1 ZINC000237439786 139051359 /nfs/dbraw/zinc/05/13/59/139051359.db2.gz UEOICJNITYEGJP-CQSZACIVSA-N 2 2 332.448 1.585 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243023 220122645 /nfs/dbraw/zinc/12/26/45/220122645.db2.gz AMBJWXDSJCPLFN-UHFFFAOYSA-N 2 2 342.443 1.983 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000237566121 139054197 /nfs/dbraw/zinc/05/41/97/139054197.db2.gz CXIUODSQAKOJSW-CQSZACIVSA-N 2 2 348.491 1.961 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237716201 139058503 /nfs/dbraw/zinc/05/85/03/139058503.db2.gz WVHAFPXUHBRBHZ-QGZVFWFLSA-N 2 2 347.459 1.534 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000238088274 139068560 /nfs/dbraw/zinc/06/85/60/139068560.db2.gz XDTAKCINBRSJAW-DLBZAZTESA-N 2 2 349.500 1.271 20 0 EDADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238096479 139068916 /nfs/dbraw/zinc/06/89/16/139068916.db2.gz AGRZGQZEGUEQDN-HXUWFJFHSA-N 2 2 335.451 1.875 20 0 EDADLP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238096479 139068917 /nfs/dbraw/zinc/06/89/17/139068917.db2.gz AGRZGQZEGUEQDN-HXUWFJFHSA-N 2 2 335.451 1.875 20 0 EDADLP COC[C@H]1C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000266013316 248029904 /nfs/dbraw/zinc/02/99/04/248029904.db2.gz SWAIWWOYIXABDC-HZPDHXFCSA-N 2 2 333.432 1.361 20 0 EDADLP COC[C@H]1C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000266013316 248029905 /nfs/dbraw/zinc/02/99/05/248029905.db2.gz SWAIWWOYIXABDC-HZPDHXFCSA-N 2 2 333.432 1.361 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247977464 139156548 /nfs/dbraw/zinc/15/65/48/139156548.db2.gz HYKUYCNCJKPQEX-IRXDYDNUSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247977464 139156549 /nfs/dbraw/zinc/15/65/49/139156549.db2.gz HYKUYCNCJKPQEX-IRXDYDNUSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247977464 139156550 /nfs/dbraw/zinc/15/65/50/139156550.db2.gz HYKUYCNCJKPQEX-IRXDYDNUSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247977464 139156551 /nfs/dbraw/zinc/15/65/51/139156551.db2.gz HYKUYCNCJKPQEX-IRXDYDNUSA-N 2 2 325.497 1.581 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000248062131 139157814 /nfs/dbraw/zinc/15/78/14/139157814.db2.gz LXRWAPXBMYOOIR-JKSUJKDBSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC[C@H]21 ZINC000248062131 139157815 /nfs/dbraw/zinc/15/78/15/139157815.db2.gz LXRWAPXBMYOOIR-JKSUJKDBSA-N 2 2 325.416 1.824 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000248951031 139181237 /nfs/dbraw/zinc/18/12/37/139181237.db2.gz CZCZZPBOXQHQJV-VSZNYVQBSA-N 2 2 325.497 1.281 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000248951031 139181238 /nfs/dbraw/zinc/18/12/38/139181238.db2.gz CZCZZPBOXQHQJV-VSZNYVQBSA-N 2 2 325.497 1.281 20 0 EDADLP CC[NH+]1C[C@@H](C)N(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@H](C)C1 ZINC000568913260 306492159 /nfs/dbraw/zinc/49/21/59/306492159.db2.gz ULOQMCGFNLRRHJ-CHWSQXEVSA-N 2 2 344.463 1.589 20 0 EDADLP c1[nH]nc(-c2cccnc2)c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665167 218241104 /nfs/dbraw/zinc/24/11/04/218241104.db2.gz NQUXUSKWAWAWLC-HNNXBMFYSA-N 2 2 327.432 1.626 20 0 EDADLP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665167 218241106 /nfs/dbraw/zinc/24/11/06/218241106.db2.gz NQUXUSKWAWAWLC-HNNXBMFYSA-N 2 2 327.432 1.626 20 0 EDADLP CO[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1C ZINC000251517026 139201771 /nfs/dbraw/zinc/20/17/71/139201771.db2.gz CKYAEHVVEJDQRB-IAGOWNOFSA-N 2 2 346.475 1.477 20 0 EDADLP CO[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1C ZINC000251517026 139201772 /nfs/dbraw/zinc/20/17/72/139201772.db2.gz CKYAEHVVEJDQRB-IAGOWNOFSA-N 2 2 346.475 1.477 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@@]3(C)CC[NH2+]C3)C2=O)c1 ZINC000261722084 139220542 /nfs/dbraw/zinc/22/05/42/139220542.db2.gz FZQVZSPDRAEWQZ-MJGOQNOKSA-N 2 2 347.459 1.741 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)C[C@@]3(C)CC[NH2+]C3)C2=O)c1 ZINC000261722084 139220543 /nfs/dbraw/zinc/22/05/43/139220543.db2.gz FZQVZSPDRAEWQZ-MJGOQNOKSA-N 2 2 347.459 1.741 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Br)cn3)C[C@@H]12 ZINC000261756361 139223564 /nfs/dbraw/zinc/22/35/64/139223564.db2.gz NHEXZQHTCNAFLU-YUSALJHKSA-N 2 2 339.237 1.452 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cn3)C[C@@H]12 ZINC000261756361 139223565 /nfs/dbraw/zinc/22/35/65/139223565.db2.gz NHEXZQHTCNAFLU-YUSALJHKSA-N 2 2 339.237 1.452 20 0 EDADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2cccnc2)CC1 ZINC000261746519 139222611 /nfs/dbraw/zinc/22/26/11/139222611.db2.gz UGTNZHQEQJPVSE-AYHJJNSGSA-N 2 2 328.460 1.647 20 0 EDADLP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1([NH+]2CCCC2)CCOCC1 ZINC000261875879 139233219 /nfs/dbraw/zinc/23/32/19/139233219.db2.gz DRLNEBSAPFEUED-BZSNNMDCSA-N 3 2 337.508 1.378 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415488958 304224337 /nfs/dbraw/zinc/22/43/37/304224337.db2.gz ANEXYDXQZFHCJF-CQSZACIVSA-N 2 2 329.404 1.445 20 0 EDADLP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000261956776 139239972 /nfs/dbraw/zinc/23/99/72/139239972.db2.gz RBSSDHNVYPYTLK-MSOLQXFVSA-N 2 2 343.471 1.254 20 0 EDADLP [NH3+][C@H](CNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CC1 ZINC000261993205 139242513 /nfs/dbraw/zinc/24/25/13/139242513.db2.gz YPQSNLCUZVNRPV-MRXNPFEDSA-N 2 2 341.415 1.379 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000416994568 251122982 /nfs/dbraw/zinc/12/29/82/251122982.db2.gz JUJLHNWWMUHKEE-SJORKVTESA-N 2 2 334.464 1.405 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CC1 ZINC000416994971 251123078 /nfs/dbraw/zinc/12/30/78/251123078.db2.gz UYJSUWQEJUBDRJ-MRXNPFEDSA-N 2 2 331.464 1.999 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262370275 139273817 /nfs/dbraw/zinc/27/38/17/139273817.db2.gz LQIRBDLJQHRDGS-QFBILLFUSA-N 2 2 346.475 1.715 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)c1c(F)cccc1F ZINC000417658881 251216093 /nfs/dbraw/zinc/21/60/93/251216093.db2.gz JYWZXONBOGEQOL-ZIAGYGMSSA-N 2 2 326.391 1.604 20 0 EDADLP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000262396011 139275991 /nfs/dbraw/zinc/27/59/91/139275991.db2.gz OWDWXEIPTMVDJL-WFASDCNBSA-N 2 2 347.802 1.837 20 0 EDADLP CCn1c[nH+]cc1CN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000417775235 251265854 /nfs/dbraw/zinc/26/58/54/251265854.db2.gz OMPGIPOAFTXNGB-GOSISDBHSA-N 2 2 344.459 1.461 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417991275 251319229 /nfs/dbraw/zinc/31/92/29/251319229.db2.gz LCHGPXXDBNPYPN-OCCSQVGLSA-N 2 2 330.354 1.497 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417991275 251319234 /nfs/dbraw/zinc/31/92/34/251319234.db2.gz LCHGPXXDBNPYPN-OCCSQVGLSA-N 2 2 330.354 1.497 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000418426123 251367270 /nfs/dbraw/zinc/36/72/70/251367270.db2.gz LJYXNLVYMSIECY-OAHLLOKOSA-N 3 2 339.528 1.314 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000418426123 251367275 /nfs/dbraw/zinc/36/72/75/251367275.db2.gz LJYXNLVYMSIECY-OAHLLOKOSA-N 3 2 339.528 1.314 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000418719320 251397597 /nfs/dbraw/zinc/39/75/97/251397597.db2.gz FEPNWZURRKVYKP-KBPBESRZSA-N 2 2 330.423 1.501 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000418703305 251388221 /nfs/dbraw/zinc/38/82/21/251388221.db2.gz QVVFNSJYICSEAP-GOEBONIOSA-N 2 2 326.485 1.256 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000418703305 251388224 /nfs/dbraw/zinc/38/82/24/251388224.db2.gz QVVFNSJYICSEAP-GOEBONIOSA-N 2 2 326.485 1.256 20 0 EDADLP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000262851179 139307968 /nfs/dbraw/zinc/30/79/68/139307968.db2.gz SIUFTBWGQXOGFT-AWEZNQCLSA-N 2 2 332.448 1.333 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262850901 139307996 /nfs/dbraw/zinc/30/79/96/139307996.db2.gz SGVNTCLOUMUIGX-RKVPGOIHSA-N 2 2 348.466 1.450 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422885640 252011635 /nfs/dbraw/zinc/01/16/35/252011635.db2.gz ZASYZMLGFPBSHR-ROUUACIJSA-N 3 2 331.508 1.844 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000423003887 252024481 /nfs/dbraw/zinc/02/44/81/252024481.db2.gz NNWCZSBPBLPPBH-AGIUHOORSA-N 2 2 332.491 1.003 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)cc[nH+]1 ZINC000423775890 252069240 /nfs/dbraw/zinc/06/92/40/252069240.db2.gz DJVIJINGWYKETD-JKSUJKDBSA-N 2 2 331.464 1.731 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3CCCCCC[C@@H]3[NH3+])CC2)cc[nH+]1 ZINC000423775888 252069568 /nfs/dbraw/zinc/06/95/68/252069568.db2.gz DJVIJINGWYKETD-HOTGVXAUSA-N 2 2 331.464 1.731 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CCN1C ZINC000423863055 252096905 /nfs/dbraw/zinc/09/69/05/252096905.db2.gz HEBJZNOJAOYPSD-QAPCUYQASA-N 2 2 327.432 1.109 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)C[C@@H](C[NH3+])OC)ccc2n1C1CC1 ZINC000423932708 252105942 /nfs/dbraw/zinc/10/59/42/252105942.db2.gz PLJHNUDDRGTJBL-AWEZNQCLSA-N 2 2 330.432 1.914 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424047964 252125224 /nfs/dbraw/zinc/12/52/24/252125224.db2.gz XXEIZXASSOCBPP-IRXDYDNUSA-N 2 2 337.508 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424047964 252125229 /nfs/dbraw/zinc/12/52/29/252125229.db2.gz XXEIZXASSOCBPP-IRXDYDNUSA-N 2 2 337.508 1.724 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000423794808 252076677 /nfs/dbraw/zinc/07/66/77/252076677.db2.gz JXOINSCWHUCUMD-GOSISDBHSA-N 2 2 345.487 1.518 20 0 EDADLP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000424136649 252138916 /nfs/dbraw/zinc/13/89/16/252138916.db2.gz AYCRDKMMWZQRHI-KCQAQPDRSA-N 2 2 325.815 1.907 20 0 EDADLP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000424136649 252138919 /nfs/dbraw/zinc/13/89/19/252138919.db2.gz AYCRDKMMWZQRHI-KCQAQPDRSA-N 2 2 325.815 1.907 20 0 EDADLP Cc1nsc(N2CC[NH+](C[C@H](C[NH3+])c3ccc(F)cc3)CC2)n1 ZINC000424280420 252190959 /nfs/dbraw/zinc/19/09/59/252190959.db2.gz HJDLXCZTEXFXMX-AWEZNQCLSA-N 2 2 335.452 1.850 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424298385 252192715 /nfs/dbraw/zinc/19/27/15/252192715.db2.gz DCLVVYIUWPXUOO-NILFDRSVSA-N 2 2 348.447 1.840 20 0 EDADLP Cn1c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)nc2cc(C(F)(F)F)ccc21 ZINC000263200576 139328005 /nfs/dbraw/zinc/32/80/05/139328005.db2.gz IYGODDOFGBAIIC-TVQRCGJNSA-N 2 2 328.338 1.262 20 0 EDADLP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncnn2CC(F)F)CC1 ZINC000487875831 255037853 /nfs/dbraw/zinc/03/78/53/255037853.db2.gz GSLUSDRIENGWHG-LBPRGKRZSA-N 2 2 331.411 1.068 20 0 EDADLP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncnn2CC(F)F)CC1 ZINC000487875831 255037855 /nfs/dbraw/zinc/03/78/55/255037855.db2.gz GSLUSDRIENGWHG-LBPRGKRZSA-N 2 2 331.411 1.068 20 0 EDADLP O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000494443866 255251220 /nfs/dbraw/zinc/25/12/20/255251220.db2.gz JITPGZAUUCGLNP-SJLPKXTDSA-N 2 2 349.500 1.549 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)CCO1 ZINC000494688402 255258174 /nfs/dbraw/zinc/25/81/74/255258174.db2.gz HWZMWKPNMMWWPS-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)CCO1 ZINC000494688402 255258175 /nfs/dbraw/zinc/25/81/75/255258175.db2.gz HWZMWKPNMMWWPS-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000494688402 255258176 /nfs/dbraw/zinc/25/81/76/255258176.db2.gz HWZMWKPNMMWWPS-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000494688402 255258177 /nfs/dbraw/zinc/25/81/77/255258177.db2.gz HWZMWKPNMMWWPS-YESZJQIVSA-N 2 2 340.512 1.659 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC000494868550 255263430 /nfs/dbraw/zinc/26/34/30/255263430.db2.gz NTWJOOGQRNZIBG-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC000494868550 255263431 /nfs/dbraw/zinc/26/34/31/255263431.db2.gz NTWJOOGQRNZIBG-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cnccc1NC(=O)OC(C)(C)C ZINC000496454443 255393158 /nfs/dbraw/zinc/39/31/58/255393158.db2.gz RQLGXDBZZIHBLI-CHWSQXEVSA-N 2 2 338.452 1.424 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC000333144317 285291518 /nfs/dbraw/zinc/29/15/18/285291518.db2.gz CVDMIHQJLXOAAY-JKSUJKDBSA-N 2 2 331.464 1.264 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC000333144317 285291519 /nfs/dbraw/zinc/29/15/19/285291519.db2.gz CVDMIHQJLXOAAY-JKSUJKDBSA-N 2 2 331.464 1.264 20 0 EDADLP CC(C)(O)C[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117793840 221089289 /nfs/dbraw/zinc/08/92/89/221089289.db2.gz NBELFNFRTKKKFQ-UHFFFAOYSA-N 2 2 328.416 1.401 20 0 EDADLP CC[NH+](CC(=O)OC)Cc1cccc(C[N@H+](CC)CC(=O)OC)c1 ZINC000264095854 139380295 /nfs/dbraw/zinc/38/02/95/139380295.db2.gz HJQCSEACQHZWAA-UHFFFAOYSA-N 2 2 336.432 1.676 20 0 EDADLP CC[NH+](CC(=O)OC)Cc1cccc(C[N@@H+](CC)CC(=O)OC)c1 ZINC000264095854 139380296 /nfs/dbraw/zinc/38/02/96/139380296.db2.gz HJQCSEACQHZWAA-UHFFFAOYSA-N 2 2 336.432 1.676 20 0 EDADLP C[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000119269728 221280714 /nfs/dbraw/zinc/28/07/14/221280714.db2.gz RNMMUPKBSTWRFO-OAHLLOKOSA-N 2 2 330.407 1.833 20 0 EDADLP C[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccc(F)cc1 ZINC000119269728 221280715 /nfs/dbraw/zinc/28/07/15/221280715.db2.gz RNMMUPKBSTWRFO-OAHLLOKOSA-N 2 2 330.407 1.833 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264248423 139390148 /nfs/dbraw/zinc/39/01/48/139390148.db2.gz BAUHWPYDBOFZDJ-NSHDSACASA-N 2 2 335.374 1.927 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000264280420 139393053 /nfs/dbraw/zinc/39/30/53/139393053.db2.gz GUDNVHNQCJTKBL-UHFFFAOYSA-N 2 2 344.463 1.614 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000264280420 139393054 /nfs/dbraw/zinc/39/30/54/139393054.db2.gz GUDNVHNQCJTKBL-UHFFFAOYSA-N 2 2 344.463 1.614 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000264347750 139399146 /nfs/dbraw/zinc/39/91/46/139399146.db2.gz FODKLCTZFPUBBM-HNNXBMFYSA-N 2 2 342.867 1.468 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000264347750 139399147 /nfs/dbraw/zinc/39/91/47/139399147.db2.gz FODKLCTZFPUBBM-HNNXBMFYSA-N 2 2 342.867 1.468 20 0 EDADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000571044418 306556329 /nfs/dbraw/zinc/55/63/29/306556329.db2.gz UFCXFLQLOXONEQ-OAHLLOKOSA-N 2 2 342.443 1.723 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000054510549 132191492 /nfs/dbraw/zinc/19/14/92/132191492.db2.gz JJEGMUNGHXNVPU-MRXNPFEDSA-N 2 2 331.464 1.645 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000054510549 132191494 /nfs/dbraw/zinc/19/14/94/132191494.db2.gz JJEGMUNGHXNVPU-MRXNPFEDSA-N 2 2 331.464 1.645 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000270124477 140048405 /nfs/dbraw/zinc/04/84/05/140048405.db2.gz NXLFUXNYWCCDNC-OALUTQOASA-N 2 2 345.487 1.424 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[C@@H]1O ZINC000270124477 140048406 /nfs/dbraw/zinc/04/84/06/140048406.db2.gz NXLFUXNYWCCDNC-OALUTQOASA-N 2 2 345.487 1.424 20 0 EDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000270535749 140118720 /nfs/dbraw/zinc/11/87/20/140118720.db2.gz AGNWGDJZXKJZLT-CQSZACIVSA-N 2 2 327.432 1.696 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)ccc2[nH+]1 ZINC000271591556 140316588 /nfs/dbraw/zinc/31/65/88/140316588.db2.gz VLIWWRARZWJHQC-ZDUSSCGKSA-N 2 2 341.415 1.182 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)ccc2[nH+]1 ZINC000271591556 140316591 /nfs/dbraw/zinc/31/65/91/140316591.db2.gz VLIWWRARZWJHQC-ZDUSSCGKSA-N 2 2 341.415 1.182 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416302081 304305795 /nfs/dbraw/zinc/30/57/95/304305795.db2.gz FVCLRXJXJGYGKD-QBPKDAKJSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416302081 304305797 /nfs/dbraw/zinc/30/57/97/304305797.db2.gz FVCLRXJXJGYGKD-QBPKDAKJSA-N 2 2 346.475 1.067 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272370081 140444599 /nfs/dbraw/zinc/44/45/99/140444599.db2.gz UFXBHZUNDBURFH-UHFFFAOYSA-N 2 2 342.447 1.023 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000332065964 141117362 /nfs/dbraw/zinc/11/73/62/141117362.db2.gz SSHVJPRDLIPDGJ-HUUCEWRRSA-N 2 2 344.459 1.648 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000332065964 141117364 /nfs/dbraw/zinc/11/73/64/141117364.db2.gz SSHVJPRDLIPDGJ-HUUCEWRRSA-N 2 2 344.459 1.648 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)[C@H]1C ZINC000332066213 141117423 /nfs/dbraw/zinc/11/74/23/141117423.db2.gz SAVLVJSHQKKVKP-GJZGRUSLSA-N 2 2 331.464 1.964 20 0 EDADLP COC(=O)c1occc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000332170506 141134586 /nfs/dbraw/zinc/13/45/86/141134586.db2.gz VXHNTSVSCORHMR-CVEARBPZSA-N 2 2 336.432 1.924 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@H]1C ZINC000332334498 141164113 /nfs/dbraw/zinc/16/41/13/141164113.db2.gz UHSPPNFEEPRUQL-KGLIPLIRSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@H]1C ZINC000332334498 141164114 /nfs/dbraw/zinc/16/41/14/141164114.db2.gz UHSPPNFEEPRUQL-KGLIPLIRSA-N 2 2 347.463 1.057 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000332526713 141196416 /nfs/dbraw/zinc/19/64/16/141196416.db2.gz SOOBTUJQNOBBQT-QWHCGFSZSA-N 2 2 333.436 1.441 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000332526712 141196500 /nfs/dbraw/zinc/19/65/00/141196500.db2.gz SOOBTUJQNOBBQT-OLZOCXBDSA-N 2 2 333.436 1.441 20 0 EDADLP C[C@@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C[NH3+] ZINC000332528598 141196821 /nfs/dbraw/zinc/19/68/21/141196821.db2.gz GDRNFBSEWDAIHE-CABCVRRESA-N 2 2 331.464 1.677 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1C ZINC000332563745 141204007 /nfs/dbraw/zinc/20/40/07/141204007.db2.gz YFGZRYFIHBMYNP-DOTOQJQBSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1C ZINC000332563745 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327.517 1.044 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000345350183 143081147 /nfs/dbraw/zinc/08/11/47/143081147.db2.gz YYCLMXITCYSUJD-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000345350183 143081148 /nfs/dbraw/zinc/08/11/48/143081148.db2.gz YYCLMXITCYSUJD-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000345350183 143081149 /nfs/dbraw/zinc/08/11/49/143081149.db2.gz YYCLMXITCYSUJD-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000345350183 143081150 /nfs/dbraw/zinc/08/11/50/143081150.db2.gz YYCLMXITCYSUJD-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000345709745 143124081 /nfs/dbraw/zinc/12/40/81/143124081.db2.gz GGNATKNZPYAYLU-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP 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ZINC000346403838 143201193 /nfs/dbraw/zinc/20/11/93/143201193.db2.gz LNRZHXNZZFRVDM-USTZCAOPSA-N 2 2 340.414 1.496 20 0 EDADLP OC[C@H]1C[C@@H](F)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000346403838 143201194 /nfs/dbraw/zinc/20/11/94/143201194.db2.gz LNRZHXNZZFRVDM-USTZCAOPSA-N 2 2 340.414 1.496 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346646335 143226011 /nfs/dbraw/zinc/22/60/11/143226011.db2.gz CFROKLDNVXENKR-IKGGRYGDSA-N 2 2 346.475 1.333 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346655347 143227262 /nfs/dbraw/zinc/22/72/62/143227262.db2.gz FZYFVDJPHLLYKV-VYDXJSESSA-N 2 2 330.432 1.871 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346655347 143227263 /nfs/dbraw/zinc/22/72/63/143227263.db2.gz FZYFVDJPHLLYKV-VYDXJSESSA-N 2 2 330.432 1.871 20 0 EDADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@H]1C ZINC000346671573 143229604 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DYSWHOSVZMXOID-UHFFFAOYSA-N 2 2 334.464 1.572 20 0 EDADLP CCOC1CC([N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000347412376 143318189 /nfs/dbraw/zinc/31/81/89/143318189.db2.gz KNSJTEMTOGJYNZ-UHFFFAOYSA-N 2 2 345.487 1.830 20 0 EDADLP CCOC1CC([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000347412376 143318190 /nfs/dbraw/zinc/31/81/90/143318190.db2.gz KNSJTEMTOGJYNZ-UHFFFAOYSA-N 2 2 345.487 1.830 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000347456133 143323627 /nfs/dbraw/zinc/32/36/27/143323627.db2.gz VYWLNUBQILURMU-IEBWSBKVSA-N 2 2 342.443 1.851 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000347456133 143323628 /nfs/dbraw/zinc/32/36/28/143323628.db2.gz VYWLNUBQILURMU-IEBWSBKVSA-N 2 2 342.443 1.851 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000347868873 143372522 /nfs/dbraw/zinc/37/25/22/143372522.db2.gz PIHWACQFQWYEJD-HOTGVXAUSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000347968947 143385033 /nfs/dbraw/zinc/38/50/33/143385033.db2.gz RUFVJHHGKHYTQA-WBVHZDCISA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000347968947 143385034 /nfs/dbraw/zinc/38/50/34/143385034.db2.gz RUFVJHHGKHYTQA-WBVHZDCISA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347968947 143385035 /nfs/dbraw/zinc/38/50/35/143385035.db2.gz RUFVJHHGKHYTQA-WBVHZDCISA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347968947 143385036 /nfs/dbraw/zinc/38/50/36/143385036.db2.gz RUFVJHHGKHYTQA-WBVHZDCISA-N 2 2 338.496 1.080 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]CCNS(=O)(=O)c1cccnc1 ZINC000348094911 143399845 /nfs/dbraw/zinc/39/98/45/143399845.db2.gz IKKOTECEAITWCI-UHFFFAOYSA-N 2 2 334.445 1.286 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000573007845 306608071 /nfs/dbraw/zinc/60/80/71/306608071.db2.gz LISYCFVVNNXOSY-INIZCTEOSA-N 2 2 333.476 1.700 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000341101289 292168667 /nfs/dbraw/zinc/16/86/67/292168667.db2.gz BOLUSJWKABBAEQ-CQSZACIVSA-N 2 2 337.468 1.460 20 0 EDADLP C[C@H]1C[N@H+](Cc2cn3ccccc3n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767362 155169240 /nfs/dbraw/zinc/16/92/40/155169240.db2.gz RRVNYJKTKDRMMN-WMZOPIPTSA-N 2 2 327.476 1.792 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cn3ccccc3n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767362 155169244 /nfs/dbraw/zinc/16/92/44/155169244.db2.gz RRVNYJKTKDRMMN-WMZOPIPTSA-N 2 2 327.476 1.792 20 0 EDADLP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)C1 ZINC000573205415 306615315 /nfs/dbraw/zinc/61/53/15/306615315.db2.gz PNHBXMQVALZFTM-HOTGVXAUSA-N 2 2 328.416 1.693 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000416893904 304353981 /nfs/dbraw/zinc/35/39/81/304353981.db2.gz YBNODLOWIMLPDB-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416896505 304354229 /nfs/dbraw/zinc/35/42/29/304354229.db2.gz VZQKSHDDCFYZDX-NJAFHUGGSA-N 2 2 346.475 1.487 20 0 EDADLP CN(c1nc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cs1)C1CC1 ZINC000352776282 149160621 /nfs/dbraw/zinc/16/06/21/149160621.db2.gz BLHDNENAEDNDJY-UHFFFAOYSA-N 2 2 337.537 1.811 20 0 EDADLP Cc1cc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc[nH+]1 ZINC000352878508 149200902 /nfs/dbraw/zinc/20/09/02/149200902.db2.gz JWBBLVSHZFGNCD-UHFFFAOYSA-N 2 2 328.397 1.858 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416959222 304355286 /nfs/dbraw/zinc/35/52/86/304355286.db2.gz PVYHXBSXGZRYBE-IAGOWNOFSA-N 2 2 341.459 1.901 20 0 EDADLP COc1cc2c(c(C[NH+]3CCC([N@H+](C)CCO)CC3)c1)O[C@H](C)C2 ZINC000353255088 149341415 /nfs/dbraw/zinc/34/14/15/149341415.db2.gz OZPSMGOQGHAWPO-CQSZACIVSA-N 2 2 334.460 1.907 20 0 EDADLP COc1cc2c(c(C[NH+]3CCC([N@@H+](C)CCO)CC3)c1)O[C@H](C)C2 ZINC000353255088 149341420 /nfs/dbraw/zinc/34/14/20/149341420.db2.gz OZPSMGOQGHAWPO-CQSZACIVSA-N 2 2 334.460 1.907 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000369928754 155239260 /nfs/dbraw/zinc/23/92/60/155239260.db2.gz VUHGWOZIQMUCQO-QGZVFWFLSA-N 2 2 336.524 1.537 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000369928754 155239264 /nfs/dbraw/zinc/23/92/64/155239264.db2.gz VUHGWOZIQMUCQO-QGZVFWFLSA-N 2 2 336.524 1.537 20 0 EDADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC[C@@H]2NS(C)(=O)=O)c[nH+]1 ZINC000354535814 149858225 /nfs/dbraw/zinc/85/82/25/149858225.db2.gz COYRUFVJRPWYRC-CVEARBPZSA-N 2 2 325.478 1.630 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000354871348 150004855 /nfs/dbraw/zinc/00/48/55/150004855.db2.gz MZFSWWIFPHJGPP-CABCVRRESA-N 2 2 336.386 1.967 20 0 EDADLP COc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000354947073 150049091 /nfs/dbraw/zinc/04/90/91/150049091.db2.gz DFROYJCPKLZWLB-CQSZACIVSA-N 2 2 332.448 1.331 20 0 EDADLP COc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000354947073 150049094 /nfs/dbraw/zinc/04/90/94/150049094.db2.gz DFROYJCPKLZWLB-CQSZACIVSA-N 2 2 332.448 1.331 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2ccco2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355107469 150119288 /nfs/dbraw/zinc/11/92/88/150119288.db2.gz NRTUAHNYIIWSNT-HNNXBMFYSA-N 2 2 334.464 1.632 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2ccco2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355107469 150119291 /nfs/dbraw/zinc/11/92/91/150119291.db2.gz NRTUAHNYIIWSNT-HNNXBMFYSA-N 2 2 334.464 1.632 20 0 EDADLP CC1(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCCCCC1 ZINC000355673562 150356608 /nfs/dbraw/zinc/35/66/08/150356608.db2.gz PJRWPZKVMKMAPK-QGZVFWFLSA-N 2 2 337.508 1.870 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc([C@H](C)OC)no2)C1 ZINC000355739338 150381610 /nfs/dbraw/zinc/38/16/10/150381610.db2.gz DUIWJGZEQRIDTC-UONOGXRCSA-N 2 2 326.441 1.710 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc([C@H](C)OC)no2)C1 ZINC000355739338 150381611 /nfs/dbraw/zinc/38/16/11/150381611.db2.gz DUIWJGZEQRIDTC-UONOGXRCSA-N 2 2 326.441 1.710 20 0 EDADLP CCCCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000357392439 151017013 /nfs/dbraw/zinc/01/70/13/151017013.db2.gz TYWMGFXHOLPGOE-HZPDHXFCSA-N 2 2 325.497 1.676 20 0 EDADLP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000357392439 151017014 /nfs/dbraw/zinc/01/70/14/151017014.db2.gz TYWMGFXHOLPGOE-HZPDHXFCSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)c(F)c1 ZINC000357644187 151097777 /nfs/dbraw/zinc/09/77/77/151097777.db2.gz CBZLPTAIILUNRC-CQSZACIVSA-N 2 2 337.439 1.850 20 0 EDADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)c(F)c1 ZINC000357644187 151097778 /nfs/dbraw/zinc/09/77/78/151097778.db2.gz CBZLPTAIILUNRC-CQSZACIVSA-N 2 2 337.439 1.850 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000357719993 151124550 /nfs/dbraw/zinc/12/45/50/151124550.db2.gz BMBIYRXNICDRGJ-UHFFFAOYSA-N 2 2 342.447 1.255 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000357922780 151197771 /nfs/dbraw/zinc/19/77/71/151197771.db2.gz UPPGYULBOHQQNY-MAUKXSAKSA-N 2 2 337.508 1.890 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000357922780 151197773 /nfs/dbraw/zinc/19/77/73/151197773.db2.gz UPPGYULBOHQQNY-MAUKXSAKSA-N 2 2 337.508 1.890 20 0 EDADLP CC[N@H+](CCNC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1)C(C)C ZINC000357930807 151200218 /nfs/dbraw/zinc/20/02/18/151200218.db2.gz VDRHECSYWCCMJR-INIZCTEOSA-N 2 2 348.495 1.423 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1)C(C)C ZINC000357930807 151200221 /nfs/dbraw/zinc/20/02/21/151200221.db2.gz VDRHECSYWCCMJR-INIZCTEOSA-N 2 2 348.495 1.423 20 0 EDADLP CC[NH+](CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)C(C)C ZINC000357930807 151200224 /nfs/dbraw/zinc/20/02/24/151200224.db2.gz VDRHECSYWCCMJR-INIZCTEOSA-N 2 2 348.495 1.423 20 0 EDADLP CC[NH+](CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)C(C)C ZINC000357930807 151200225 /nfs/dbraw/zinc/20/02/25/151200225.db2.gz VDRHECSYWCCMJR-INIZCTEOSA-N 2 2 348.495 1.423 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000417077280 304370325 /nfs/dbraw/zinc/37/03/25/304370325.db2.gz LEDGLRUMAQSHRZ-INIZCTEOSA-N 2 2 340.431 1.635 20 0 EDADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000358226241 151311739 /nfs/dbraw/zinc/31/17/39/151311739.db2.gz CVVSIDUWIXDJEV-VQIMIIECSA-N 2 2 349.475 1.261 20 0 EDADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000358226241 151311743 /nfs/dbraw/zinc/31/17/43/151311743.db2.gz CVVSIDUWIXDJEV-VQIMIIECSA-N 2 2 349.475 1.261 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@H+]3CC=C(C)CC3)ccc2[nH+]1 ZINC000358387095 151358207 /nfs/dbraw/zinc/35/82/07/151358207.db2.gz GMDDMOUPRMVOIA-UHFFFAOYSA-N 2 2 341.415 1.349 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@@H+]3CC=C(C)CC3)ccc2[nH+]1 ZINC000358387095 151358209 /nfs/dbraw/zinc/35/82/09/151358209.db2.gz GMDDMOUPRMVOIA-UHFFFAOYSA-N 2 2 341.415 1.349 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C2([NH3+])CCCC2)[NH+]2CCOCC2)cc1 ZINC000237915685 292251960 /nfs/dbraw/zinc/25/19/60/292251960.db2.gz LINSWBLMJSCTQT-KRWDZBQOSA-N 2 2 331.460 1.756 20 0 EDADLP CO[C@](C)(C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC1 ZINC000360389864 152016936 /nfs/dbraw/zinc/01/69/36/152016936.db2.gz CEIYGSGTFYHSSC-RZRMAFQFSA-N 2 2 335.492 1.571 20 0 EDADLP CO[C@](C)(C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC1 ZINC000360389864 152016940 /nfs/dbraw/zinc/01/69/40/152016940.db2.gz CEIYGSGTFYHSSC-RZRMAFQFSA-N 2 2 335.492 1.571 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360548392 152089660 /nfs/dbraw/zinc/08/96/60/152089660.db2.gz UNLVEVNILIIZJR-FXAWDEMLSA-N 2 2 342.487 1.409 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360548392 152089662 /nfs/dbraw/zinc/08/96/62/152089662.db2.gz UNLVEVNILIIZJR-FXAWDEMLSA-N 2 2 342.487 1.409 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000360561074 152096262 /nfs/dbraw/zinc/09/62/62/152096262.db2.gz HZWPJGRFXJWDEX-GOSISDBHSA-N 2 2 330.432 1.637 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000360561074 152096266 /nfs/dbraw/zinc/09/62/66/152096266.db2.gz HZWPJGRFXJWDEX-GOSISDBHSA-N 2 2 330.432 1.637 20 0 EDADLP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC)cc1 ZINC000361085218 152298369 /nfs/dbraw/zinc/29/83/69/152298369.db2.gz MSHQDLZYJCRPGG-SFHVURJKSA-N 2 2 333.476 1.865 20 0 EDADLP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2COCC[N@H+]2CC)cc1 ZINC000361085218 152298371 /nfs/dbraw/zinc/29/83/71/152298371.db2.gz MSHQDLZYJCRPGG-SFHVURJKSA-N 2 2 333.476 1.865 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CCO)C2CCOCC2)CC1 ZINC000361116788 152310593 /nfs/dbraw/zinc/31/05/93/152310593.db2.gz GADIKEKWORVDLD-QGZVFWFLSA-N 2 2 342.480 1.171 20 0 EDADLP C(C[NH+]1CCOCC1)C1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000361294967 152356147 /nfs/dbraw/zinc/35/61/47/152356147.db2.gz CIPFAJIEMIULAJ-UHFFFAOYSA-N 2 2 325.497 1.143 20 0 EDADLP C(C[NH+]1CCOCC1)C1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000361294967 152356150 /nfs/dbraw/zinc/35/61/50/152356150.db2.gz CIPFAJIEMIULAJ-UHFFFAOYSA-N 2 2 325.497 1.143 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000361297434 152357337 /nfs/dbraw/zinc/35/73/37/152357337.db2.gz SBGTUGFGZIINJG-KRWDZBQOSA-N 2 2 330.432 1.701 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000361297434 152357339 /nfs/dbraw/zinc/35/73/39/152357339.db2.gz SBGTUGFGZIINJG-KRWDZBQOSA-N 2 2 330.432 1.701 20 0 EDADLP Cn1c(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[nH+]c2cccc(F)c21 ZINC000574061950 306642552 /nfs/dbraw/zinc/64/25/52/306642552.db2.gz YWRRPKJYYNJIIX-ZDUSSCGKSA-N 2 2 345.422 1.361 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@H](C)OC)[C@@H]1CC12CC[NH2+]CC2 ZINC000370162840 155358620 /nfs/dbraw/zinc/35/86/20/155358620.db2.gz PQKJTDHGETYMHA-LSDHHAIUSA-N 2 2 334.464 1.799 20 0 EDADLP C[C@@H](CNC(=O)C1([NH+]2CCN(C)CC2)CCCC1)Cn1cc[nH+]c1 ZINC000363593913 153009003 /nfs/dbraw/zinc/00/90/03/153009003.db2.gz SJKLDDFRJCWIGC-INIZCTEOSA-N 2 2 333.480 1.196 20 0 EDADLP COCc1noc([C@H](C)[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)n1 ZINC000363650882 153023043 /nfs/dbraw/zinc/02/30/43/153023043.db2.gz JHBTTZISUQFCCA-JSGCOSHPSA-N 2 2 346.435 1.942 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C1 ZINC000363766188 153050770 /nfs/dbraw/zinc/05/07/70/153050770.db2.gz OSODSDFGPZIZJI-OAHLLOKOSA-N 2 2 329.448 1.882 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C1 ZINC000363766188 153050773 /nfs/dbraw/zinc/05/07/73/153050773.db2.gz OSODSDFGPZIZJI-OAHLLOKOSA-N 2 2 329.448 1.882 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)CC1 ZINC000363870748 153080911 /nfs/dbraw/zinc/08/09/11/153080911.db2.gz XIGHKOVZZFCSGA-QGZVFWFLSA-N 2 2 346.475 1.397 20 0 EDADLP Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000364077633 153140388 /nfs/dbraw/zinc/14/03/88/153140388.db2.gz ZZOLUEWXJQWRFF-HNNXBMFYSA-N 2 2 331.464 1.300 20 0 EDADLP Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000364077633 153140391 /nfs/dbraw/zinc/14/03/91/153140391.db2.gz ZZOLUEWXJQWRFF-HNNXBMFYSA-N 2 2 331.464 1.300 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3ccccn3)C2)CC1 ZINC000364232344 153182010 /nfs/dbraw/zinc/18/20/10/153182010.db2.gz YKMMFLVCVVEHMP-INIZCTEOSA-N 2 2 331.464 1.092 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3ccccn3)C2)CC1 ZINC000364232344 153182013 /nfs/dbraw/zinc/18/20/13/153182013.db2.gz YKMMFLVCVVEHMP-INIZCTEOSA-N 2 2 331.464 1.092 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364397853 153227073 /nfs/dbraw/zinc/22/70/73/153227073.db2.gz ASOKDHCOTFPQLD-CYBMUJFWSA-N 2 2 341.415 1.584 20 0 EDADLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000364551345 153267939 /nfs/dbraw/zinc/26/79/39/153267939.db2.gz MOKMWKPMYDKMDM-HOTGVXAUSA-N 2 2 332.448 1.063 20 0 EDADLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000364551345 153267942 /nfs/dbraw/zinc/26/79/42/153267942.db2.gz MOKMWKPMYDKMDM-HOTGVXAUSA-N 2 2 332.448 1.063 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364701042 153308772 /nfs/dbraw/zinc/30/87/72/153308772.db2.gz WQNMXYRVFWRIKS-JKSUJKDBSA-N 2 2 334.464 1.405 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364701042 153308776 /nfs/dbraw/zinc/30/87/76/153308776.db2.gz WQNMXYRVFWRIKS-JKSUJKDBSA-N 2 2 334.464 1.405 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000364724867 153315424 /nfs/dbraw/zinc/31/54/24/153315424.db2.gz QIJQYABZFGTGIA-DDUZABMNSA-N 2 2 328.416 1.483 20 0 EDADLP C[C@@H](O)CCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000364896550 153362791 /nfs/dbraw/zinc/36/27/91/153362791.db2.gz WQGFPOVEIGLKTF-MRXNPFEDSA-N 2 2 340.512 1.397 20 0 EDADLP CN(C(=O)NOCc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364944376 153379226 /nfs/dbraw/zinc/37/92/26/153379226.db2.gz YRBJOTMBPUREQL-SFHVURJKSA-N 2 2 346.475 1.928 20 0 EDADLP CN(C(=O)NOCc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364944376 153379228 /nfs/dbraw/zinc/37/92/28/153379228.db2.gz YRBJOTMBPUREQL-SFHVURJKSA-N 2 2 346.475 1.928 20 0 EDADLP CC1=CCC[N@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000367110145 154010455 /nfs/dbraw/zinc/01/04/55/154010455.db2.gz WDYGOMYEHQKYEP-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000367110145 154010456 /nfs/dbraw/zinc/01/04/56/154010456.db2.gz WDYGOMYEHQKYEP-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CCC[NH+](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000367110145 154010457 /nfs/dbraw/zinc/01/04/57/154010457.db2.gz WDYGOMYEHQKYEP-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000367110145 154010459 /nfs/dbraw/zinc/01/04/59/154010459.db2.gz WDYGOMYEHQKYEP-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP C[NH+]1CCC(CNC(=O)C2SCCS2)([NH+]2CCCCC2)CC1 ZINC000367148047 154023114 /nfs/dbraw/zinc/02/31/14/154023114.db2.gz IZTJKRZOPCPYKE-UHFFFAOYSA-N 2 2 343.562 1.859 20 0 EDADLP OC[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccnc1 ZINC000367904940 154318572 /nfs/dbraw/zinc/31/85/72/154318572.db2.gz SJVFQKCMDZIPLO-GOSISDBHSA-N 2 2 326.444 1.807 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc(OC)c1O ZINC000368032216 154376908 /nfs/dbraw/zinc/37/69/08/154376908.db2.gz XVTYGTCBYBWDAT-LSDHHAIUSA-N 2 2 336.432 1.752 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc(OC)c1O ZINC000368032216 154376910 /nfs/dbraw/zinc/37/69/10/154376910.db2.gz XVTYGTCBYBWDAT-LSDHHAIUSA-N 2 2 336.432 1.752 20 0 EDADLP C[C@@H](O)c1ncc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000368050106 154385427 /nfs/dbraw/zinc/38/54/27/154385427.db2.gz CLPVPPZFVAGBTQ-UKRRQHHQSA-N 2 2 338.521 1.797 20 0 EDADLP C[C@@H](O)c1ncc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000368050106 154385429 /nfs/dbraw/zinc/38/54/29/154385429.db2.gz CLPVPPZFVAGBTQ-UKRRQHHQSA-N 2 2 338.521 1.797 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)N2CCc3c([nH+]cn3C)C2)([NH+](C)C)C1 ZINC000369381616 155005890 /nfs/dbraw/zinc/00/58/90/155005890.db2.gz MUQJSPWXTITWMO-RDTXWAMCSA-N 2 2 333.480 1.998 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000371679075 156060685 /nfs/dbraw/zinc/06/06/85/156060685.db2.gz JFNFNVUGYCRAPC-SJORKVTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000371679075 156060690 /nfs/dbraw/zinc/06/06/90/156060690.db2.gz JFNFNVUGYCRAPC-SJORKVTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000371679075 156060694 /nfs/dbraw/zinc/06/06/94/156060694.db2.gz JFNFNVUGYCRAPC-SJORKVTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000371679075 156060697 /nfs/dbraw/zinc/06/06/97/156060697.db2.gz JFNFNVUGYCRAPC-SJORKVTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000371927945 156170715 /nfs/dbraw/zinc/17/07/15/156170715.db2.gz SVDIRVBMDSOAGU-ZTFGCOKTSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000371927945 156170718 /nfs/dbraw/zinc/17/07/18/156170718.db2.gz SVDIRVBMDSOAGU-ZTFGCOKTSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000371927945 156170721 /nfs/dbraw/zinc/17/07/21/156170721.db2.gz SVDIRVBMDSOAGU-ZTFGCOKTSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000371927945 156170723 /nfs/dbraw/zinc/17/07/23/156170723.db2.gz SVDIRVBMDSOAGU-ZTFGCOKTSA-N 2 2 328.460 1.645 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CCN(c3nc(C)[nH+]c(C)c3C)CC2)C1 ZINC000372008389 156207134 /nfs/dbraw/zinc/20/71/34/156207134.db2.gz BVPCANHGYIXHQQ-KRWDZBQOSA-N 2 2 333.480 1.245 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CCN(c3nc(C)[nH+]c(C)c3C)CC2)C1 ZINC000372008389 156207135 /nfs/dbraw/zinc/20/71/35/156207135.db2.gz BVPCANHGYIXHQQ-KRWDZBQOSA-N 2 2 333.480 1.245 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)on2)cn1 ZINC000372190315 156264646 /nfs/dbraw/zinc/26/46/46/156264646.db2.gz FGSGQHPLWXOCKR-QGPMSJSTSA-N 2 2 327.432 1.991 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)on2)cn1 ZINC000372190315 156264649 /nfs/dbraw/zinc/26/46/49/156264649.db2.gz FGSGQHPLWXOCKR-QGPMSJSTSA-N 2 2 327.432 1.991 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)on2)cn1 ZINC000372190315 156264651 /nfs/dbraw/zinc/26/46/51/156264651.db2.gz FGSGQHPLWXOCKR-QGPMSJSTSA-N 2 2 327.432 1.991 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)on2)cn1 ZINC000372190315 156264654 /nfs/dbraw/zinc/26/46/54/156264654.db2.gz FGSGQHPLWXOCKR-QGPMSJSTSA-N 2 2 327.432 1.991 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1)[NH+](C)C ZINC000372407482 156375952 /nfs/dbraw/zinc/37/59/52/156375952.db2.gz WGTOLZNATXEVND-KRWDZBQOSA-N 2 2 335.496 1.839 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1)[NH+](C)C ZINC000372407482 156375957 /nfs/dbraw/zinc/37/59/57/156375957.db2.gz WGTOLZNATXEVND-KRWDZBQOSA-N 2 2 335.496 1.839 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc2c1OCO2 ZINC000372415996 156378971 /nfs/dbraw/zinc/37/89/71/156378971.db2.gz LZOOEQNQDSFYJJ-NVXWUHKLSA-N 2 2 347.459 1.252 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc2c1OCO2 ZINC000372415996 156378973 /nfs/dbraw/zinc/37/89/73/156378973.db2.gz LZOOEQNQDSFYJJ-NVXWUHKLSA-N 2 2 347.459 1.252 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc2c1OCO2 ZINC000372415996 156378977 /nfs/dbraw/zinc/37/89/77/156378977.db2.gz LZOOEQNQDSFYJJ-NVXWUHKLSA-N 2 2 347.459 1.252 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc2c1OCO2 ZINC000372415996 156378982 /nfs/dbraw/zinc/37/89/82/156378982.db2.gz LZOOEQNQDSFYJJ-NVXWUHKLSA-N 2 2 347.459 1.252 20 0 EDADLP CCCn1nc(C)c(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000372417852 156379695 /nfs/dbraw/zinc/37/96/95/156379695.db2.gz YHTHJYWAXZBBSS-SFHVURJKSA-N 2 2 349.523 1.358 20 0 EDADLP CCCn1nc(C)c(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000372417852 156379697 /nfs/dbraw/zinc/37/96/97/156379697.db2.gz YHTHJYWAXZBBSS-SFHVURJKSA-N 2 2 349.523 1.358 20 0 EDADLP C[NH+]1CCC(CNC(=O)NC2(CCO)CC2)([NH+]2CCCCC2)CC1 ZINC000575014118 306662623 /nfs/dbraw/zinc/66/26/23/306662623.db2.gz IFMDYCILCWSQMS-UHFFFAOYSA-N 2 2 338.496 1.151 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@]2([NH+](C)C)CCCSC2)CC1 ZINC000374072939 157131943 /nfs/dbraw/zinc/13/19/43/157131943.db2.gz VIQARHYJFFMNGX-GOSISDBHSA-N 2 2 348.516 1.866 20 0 EDADLP CCC[NH+]1CCC(N2CCN(CC[N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000374150405 157167210 /nfs/dbraw/zinc/16/72/10/157167210.db2.gz FMUXUDIAPLNSBK-SFHVURJKSA-N 2 2 338.540 1.199 20 0 EDADLP CCC[NH+]1CCC(N2CCN(CC[N@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000374150405 157167212 /nfs/dbraw/zinc/16/72/12/157167212.db2.gz FMUXUDIAPLNSBK-SFHVURJKSA-N 2 2 338.540 1.199 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@@H](C)C2)CC1 ZINC000374368803 157262589 /nfs/dbraw/zinc/26/25/89/157262589.db2.gz WAQBVPFDORHEQC-KRWDZBQOSA-N 2 2 345.487 1.608 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC000374368803 157262590 /nfs/dbraw/zinc/26/25/90/157262590.db2.gz WAQBVPFDORHEQC-KRWDZBQOSA-N 2 2 345.487 1.608 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182994086 286625371 /nfs/dbraw/zinc/62/53/71/286625371.db2.gz WOMKOWQGTNPSQE-USXIJHARSA-N 2 2 344.521 1.433 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C[C@H]1C ZINC000377897506 158023984 /nfs/dbraw/zinc/02/39/84/158023984.db2.gz CEAVVCLQMOWKKJ-PBHICJAKSA-N 2 2 329.460 1.378 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C[C@H]1C ZINC000377897506 158023987 /nfs/dbraw/zinc/02/39/87/158023987.db2.gz CEAVVCLQMOWKKJ-PBHICJAKSA-N 2 2 329.460 1.378 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1C ZINC000377897506 158023989 /nfs/dbraw/zinc/02/39/89/158023989.db2.gz CEAVVCLQMOWKKJ-PBHICJAKSA-N 2 2 329.460 1.378 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC000377897506 158023991 /nfs/dbraw/zinc/02/39/91/158023991.db2.gz CEAVVCLQMOWKKJ-PBHICJAKSA-N 2 2 329.460 1.378 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H](F)C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000377929260 158031309 /nfs/dbraw/zinc/03/13/09/158031309.db2.gz VHSYHXUKJNBYOP-GFCCVEGCSA-N 2 2 339.377 1.953 20 0 EDADLP Cc1nc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)c(C)c(C)[nH+]1 ZINC000378158149 158095791 /nfs/dbraw/zinc/09/57/91/158095791.db2.gz KYIMBHFUMZBEPR-UHFFFAOYSA-N 2 2 331.464 1.901 20 0 EDADLP C[C@H]([C@H](C)NC(=O)c1cccn1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000378208345 158110348 /nfs/dbraw/zinc/11/03/48/158110348.db2.gz VUWPJKYDIZONMV-LSDHHAIUSA-N 2 2 334.464 1.252 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000378324475 158141397 /nfs/dbraw/zinc/14/13/97/158141397.db2.gz VTWRZSORISISFN-KRWDZBQOSA-N 2 2 338.540 1.638 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc[nH+]1 ZINC000378353532 158148507 /nfs/dbraw/zinc/14/85/07/158148507.db2.gz GBKUAQLRUDFYRN-KBRIMQKVSA-N 2 2 332.448 1.823 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc[nH+]1 ZINC000378353532 158148508 /nfs/dbraw/zinc/14/85/08/158148508.db2.gz GBKUAQLRUDFYRN-KBRIMQKVSA-N 2 2 332.448 1.823 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000378400386 158163062 /nfs/dbraw/zinc/16/30/62/158163062.db2.gz JAXMAUCLFFXLGJ-OAGGEKHMSA-N 2 2 346.537 1.679 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000378400386 158163065 /nfs/dbraw/zinc/16/30/65/158163065.db2.gz JAXMAUCLFFXLGJ-OAGGEKHMSA-N 2 2 346.537 1.679 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000408205978 158297201 /nfs/dbraw/zinc/29/72/01/158297201.db2.gz MHMVNQJVTMNGOO-HUUCEWRRSA-N 2 2 347.463 1.783 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000408205978 158297203 /nfs/dbraw/zinc/29/72/03/158297203.db2.gz MHMVNQJVTMNGOO-HUUCEWRRSA-N 2 2 347.463 1.783 20 0 EDADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c2ccccc21 ZINC000576108564 306678246 /nfs/dbraw/zinc/67/82/46/306678246.db2.gz FBZOYQTVQXNOKX-DAXOMENPSA-N 2 2 344.436 1.956 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])c2cscn2)C[C@@H](C)O1 ZINC000423301231 304891686 /nfs/dbraw/zinc/89/16/86/304891686.db2.gz GQVAHHDJVWJAGB-NQBHXWOUSA-N 2 2 326.466 1.147 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H](C)O ZINC000352195789 162043631 /nfs/dbraw/zinc/04/36/31/162043631.db2.gz UHIHZRZTVVPEHC-CQSZACIVSA-N 2 2 325.478 1.095 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H](C)O ZINC000352195789 162043633 /nfs/dbraw/zinc/04/36/33/162043633.db2.gz UHIHZRZTVVPEHC-CQSZACIVSA-N 2 2 325.478 1.095 20 0 EDADLP COC1CC([N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000352222436 162059172 /nfs/dbraw/zinc/05/91/72/162059172.db2.gz QRNABWRGEYQATD-UHFFFAOYSA-N 2 2 347.459 1.567 20 0 EDADLP COC1CC([N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000352222436 162059174 /nfs/dbraw/zinc/05/91/74/162059174.db2.gz QRNABWRGEYQATD-UHFFFAOYSA-N 2 2 347.459 1.567 20 0 EDADLP CCOCC[N@@H+]1CCN(S(=O)(=O)CC[NH+](CC)CC)C[C@@H]1CC ZINC000352274181 162087798 /nfs/dbraw/zinc/08/77/98/162087798.db2.gz DRTNMGMGSSPCAP-INIZCTEOSA-N 2 2 349.541 1.091 20 0 EDADLP CCOCC[N@H+]1CCN(S(=O)(=O)CC[NH+](CC)CC)C[C@@H]1CC ZINC000352274181 162087801 /nfs/dbraw/zinc/08/78/01/162087801.db2.gz DRTNMGMGSSPCAP-INIZCTEOSA-N 2 2 349.541 1.091 20 0 EDADLP OC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000352402733 162164827 /nfs/dbraw/zinc/16/48/27/162164827.db2.gz PDEOPKSIXQBQLV-MOPGFXCFSA-N 2 2 333.476 1.328 20 0 EDADLP C[C@H](C(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCOCC1 ZINC000352418276 162171655 /nfs/dbraw/zinc/17/16/55/162171655.db2.gz ARRLTEPIZOVMFT-BHIYHBOVSA-N 2 2 343.471 1.298 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000352453609 162189306 /nfs/dbraw/zinc/18/93/06/162189306.db2.gz PBUDVJNTIIGROQ-KRWDZBQOSA-N 2 2 339.443 1.936 20 0 EDADLP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352488321 162208411 /nfs/dbraw/zinc/20/84/11/162208411.db2.gz OTMXEMLWDFXOLU-IBGZPJMESA-N 2 2 344.503 1.403 20 0 EDADLP C[C@@H](O)c1cnc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)s1 ZINC000368288570 287115636 /nfs/dbraw/zinc/11/56/36/287115636.db2.gz GZYRIVIGDXXGJU-CABCVRRESA-N 2 2 338.521 1.798 20 0 EDADLP C[C@@H](O)c1cnc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)s1 ZINC000368288570 287115640 /nfs/dbraw/zinc/11/56/40/287115640.db2.gz GZYRIVIGDXXGJU-CABCVRRESA-N 2 2 338.521 1.798 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418222680 304466235 /nfs/dbraw/zinc/46/62/35/304466235.db2.gz XTWNCVABZAVYDZ-UHFFFAOYSA-N 2 2 329.404 1.464 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000074110293 287267426 /nfs/dbraw/zinc/26/74/26/287267426.db2.gz RURQPBQDAUAMKD-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC000641804423 452284321 /nfs/dbraw/zinc/28/43/21/452284321.db2.gz IQHBBMVOORMYGN-IPYPFGDCSA-N 2 2 325.478 1.542 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC000641804423 452284334 /nfs/dbraw/zinc/28/43/34/452284334.db2.gz IQHBBMVOORMYGN-IPYPFGDCSA-N 2 2 325.478 1.542 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[NH2+]CC3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000163910851 226030036 /nfs/dbraw/zinc/03/00/36/226030036.db2.gz RIOWCWONBJEEBL-UHFFFAOYSA-N 2 2 331.464 1.557 20 0 EDADLP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000167146647 226180275 /nfs/dbraw/zinc/18/02/75/226180275.db2.gz ZJOBSHWXNIXLKH-LJQANCHMSA-N 2 2 339.439 1.606 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418388525 304489494 /nfs/dbraw/zinc/48/94/94/304489494.db2.gz QFNSGWZVDDCSOX-ZIAGYGMSSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[N@@H+]1C ZINC000123546530 222294315 /nfs/dbraw/zinc/29/43/15/222294315.db2.gz MUDUYAPYJXVPIW-GJZGRUSLSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[N@H+]1C ZINC000123546530 222294316 /nfs/dbraw/zinc/29/43/16/222294316.db2.gz MUDUYAPYJXVPIW-GJZGRUSLSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[NH+]1C ZINC000123546530 222294318 /nfs/dbraw/zinc/29/43/18/222294318.db2.gz MUDUYAPYJXVPIW-GJZGRUSLSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[NH+]1C ZINC000123546530 222294319 /nfs/dbraw/zinc/29/43/19/222294319.db2.gz MUDUYAPYJXVPIW-GJZGRUSLSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)Cc2cn3ccccc3[nH+]2)C[C@@H](C)O1 ZINC000123629899 222308128 /nfs/dbraw/zinc/30/81/28/222308128.db2.gz GLBZEHJCPACLJS-HZPDHXFCSA-N 2 2 344.459 1.882 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2noc(C)n2)CC1 ZINC000151002450 287591108 /nfs/dbraw/zinc/59/11/08/287591108.db2.gz VKTJVTKDOAIFEL-UHFFFAOYSA-N 2 2 337.468 1.438 20 0 EDADLP CCC[NH2+]CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000418491994 304502724 /nfs/dbraw/zinc/50/27/24/304502724.db2.gz UGUAGTQJPQXXPZ-UHFFFAOYSA-N 2 2 325.482 1.278 20 0 EDADLP [NH3+]C[C@@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000238028026 273013615 /nfs/dbraw/zinc/01/36/15/273013615.db2.gz RWUPMYCUIUEZAD-AEFFLSMTSA-N 2 2 349.500 1.053 20 0 EDADLP COc1ccc([C@H](NC(=O)C[N@H+](C)C(C)C)c2[nH+]ccn2C)cc1 ZINC000067572678 267393671 /nfs/dbraw/zinc/39/36/71/267393671.db2.gz IWULGRRKFLHCCD-KRWDZBQOSA-N 2 2 330.432 1.975 20 0 EDADLP COc1ccc([C@H](NC(=O)C[N@@H+](C)C(C)C)c2[nH+]ccn2C)cc1 ZINC000067572678 267393678 /nfs/dbraw/zinc/39/36/78/267393678.db2.gz IWULGRRKFLHCCD-KRWDZBQOSA-N 2 2 330.432 1.975 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274682484 268183075 /nfs/dbraw/zinc/18/30/75/268183075.db2.gz XGARLZOXZKNGLU-CRAIPNDOSA-N 2 2 343.475 1.392 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274682484 268183077 /nfs/dbraw/zinc/18/30/77/268183077.db2.gz XGARLZOXZKNGLU-CRAIPNDOSA-N 2 2 343.475 1.392 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000275419850 268339978 /nfs/dbraw/zinc/33/99/78/268339978.db2.gz HMSICXXFNKVOFC-INIZCTEOSA-N 2 2 345.491 1.954 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000177501149 272941171 /nfs/dbraw/zinc/94/11/71/272941171.db2.gz JXPFFHWSZIKVBZ-UHFFFAOYSA-N 2 2 336.436 1.737 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000277140460 273183412 /nfs/dbraw/zinc/18/34/12/273183412.db2.gz JALBGIBOFMYFIO-INIZCTEOSA-N 2 2 337.439 1.737 20 0 EDADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000277140460 273183414 /nfs/dbraw/zinc/18/34/14/273183414.db2.gz JALBGIBOFMYFIO-INIZCTEOSA-N 2 2 337.439 1.737 20 0 EDADLP C[N@@H+]1CCCN(c2ccc(-c3noc(Cn4cc[nH+]c4)n3)cn2)CC1 ZINC000277712835 273220276 /nfs/dbraw/zinc/22/02/76/273220276.db2.gz AFBSSBBWFJPQTM-UHFFFAOYSA-N 2 2 339.403 1.518 20 0 EDADLP C[N@H+]1CCCN(c2ccc(-c3noc(Cn4cc[nH+]c4)n3)cn2)CC1 ZINC000277712835 273220277 /nfs/dbraw/zinc/22/02/77/273220277.db2.gz AFBSSBBWFJPQTM-UHFFFAOYSA-N 2 2 339.403 1.518 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1c[nH+]cn1C ZINC000280751898 273394031 /nfs/dbraw/zinc/39/40/31/273394031.db2.gz LAMDOGHXMHWPFJ-IUODEOHRSA-N 2 2 335.477 1.503 20 0 EDADLP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000280804123 273400513 /nfs/dbraw/zinc/40/05/13/273400513.db2.gz WDPHICHQWPREDS-UHFFFAOYSA-N 2 2 346.406 1.768 20 0 EDADLP CO[C@@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000283687651 273928991 /nfs/dbraw/zinc/92/89/91/273928991.db2.gz WUKVWIBLZJEWAM-INIZCTEOSA-N 2 2 339.867 1.733 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@@H](C)OC)CC2)cc1 ZINC000353200662 274109328 /nfs/dbraw/zinc/10/93/28/274109328.db2.gz KFANGOKAWMLQIT-MRXNPFEDSA-N 2 2 349.475 1.306 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@@H](C)OC)CC2)cc1 ZINC000353200662 274109331 /nfs/dbraw/zinc/10/93/31/274109331.db2.gz KFANGOKAWMLQIT-MRXNPFEDSA-N 2 2 349.475 1.306 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(C)C ZINC000284235657 274127770 /nfs/dbraw/zinc/12/77/70/274127770.db2.gz YIYHLTLKQQYUSP-OAHLLOKOSA-N 2 2 349.479 1.351 20 0 EDADLP Cc1nc2c(cccc2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[nH]1 ZINC000284256091 274135184 /nfs/dbraw/zinc/13/51/84/274135184.db2.gz CYCIWWJKJOPZGR-UHFFFAOYSA-N 2 2 329.448 1.627 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284542626 274239066 /nfs/dbraw/zinc/23/90/66/274239066.db2.gz NDNNMORZJIUOIT-KBXCAEBGSA-N 2 2 329.448 1.996 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284542626 274239067 /nfs/dbraw/zinc/23/90/67/274239067.db2.gz NDNNMORZJIUOIT-KBXCAEBGSA-N 2 2 329.448 1.996 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000155345572 274356038 /nfs/dbraw/zinc/35/60/38/274356038.db2.gz DFBLCBXUJHTNSZ-MJGOQNOKSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000155345572 274356042 /nfs/dbraw/zinc/35/60/42/274356042.db2.gz DFBLCBXUJHTNSZ-MJGOQNOKSA-N 2 2 346.519 1.992 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000285530425 274571773 /nfs/dbraw/zinc/57/17/73/274571773.db2.gz PSJUWPUJUGGEOH-IBGZPJMESA-N 2 2 336.476 1.779 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000345972297 276182500 /nfs/dbraw/zinc/18/25/00/276182500.db2.gz LYTIODTWCUFXMB-SJORKVTESA-N 2 2 336.480 1.143 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000345972297 276182503 /nfs/dbraw/zinc/18/25/03/276182503.db2.gz LYTIODTWCUFXMB-SJORKVTESA-N 2 2 336.480 1.143 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000367006632 276194409 /nfs/dbraw/zinc/19/44/09/276194409.db2.gz FYHSOUWECVSQSC-SFHVURJKSA-N 2 2 330.476 1.317 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000367006632 276194410 /nfs/dbraw/zinc/19/44/10/276194410.db2.gz FYHSOUWECVSQSC-SFHVURJKSA-N 2 2 330.476 1.317 20 0 EDADLP CCN1CC[NH+](CCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000367006632 276194412 /nfs/dbraw/zinc/19/44/12/276194412.db2.gz FYHSOUWECVSQSC-SFHVURJKSA-N 2 2 330.476 1.317 20 0 EDADLP CCN1CC[NH+](CCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000367006632 276194413 /nfs/dbraw/zinc/19/44/13/276194413.db2.gz FYHSOUWECVSQSC-SFHVURJKSA-N 2 2 330.476 1.317 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378436124 276211115 /nfs/dbraw/zinc/21/11/15/276211115.db2.gz VMKJXNVPFVDIMO-MAUKXSAKSA-N 2 2 338.540 1.780 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378436124 276211117 /nfs/dbraw/zinc/21/11/17/276211117.db2.gz VMKJXNVPFVDIMO-MAUKXSAKSA-N 2 2 338.540 1.780 20 0 EDADLP COC1(C[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CCOCC1 ZINC000372967466 277185434 /nfs/dbraw/zinc/18/54/34/277185434.db2.gz NLOIMGKGCWTRBC-DLBZAZTESA-N 2 2 325.497 1.140 20 0 EDADLP COC1(C[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CCOCC1 ZINC000372967466 277185435 /nfs/dbraw/zinc/18/54/35/277185435.db2.gz NLOIMGKGCWTRBC-DLBZAZTESA-N 2 2 325.497 1.140 20 0 EDADLP COC[C@@H](CC(C)C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000359856460 277245436 /nfs/dbraw/zinc/24/54/36/277245436.db2.gz NZBQVTXJWSYCOS-QGZVFWFLSA-N 2 2 335.496 1.639 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349139 278152847 /nfs/dbraw/zinc/15/28/47/278152847.db2.gz BUTXJVLMYGWKAE-HOSYDEDBSA-N 2 2 348.274 1.811 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349139 278152849 /nfs/dbraw/zinc/15/28/49/278152849.db2.gz BUTXJVLMYGWKAE-HOSYDEDBSA-N 2 2 348.274 1.811 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496218596 278261532 /nfs/dbraw/zinc/26/15/32/278261532.db2.gz UVBPQPWWPKQVKR-SZMVWBNQSA-N 2 2 347.459 1.754 20 0 EDADLP CC(C)(CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000333451300 278614542 /nfs/dbraw/zinc/61/45/42/278614542.db2.gz XOAUALWYPJBQKA-HZPDHXFCSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000341588580 288096284 /nfs/dbraw/zinc/09/62/84/288096284.db2.gz BMANHBIZNQLAKT-NXHRZFHOSA-N 2 2 331.460 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000341588580 288096287 /nfs/dbraw/zinc/09/62/87/288096287.db2.gz BMANHBIZNQLAKT-NXHRZFHOSA-N 2 2 331.460 1.374 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)[NH+]1CCSCC1 ZINC000131395516 279223837 /nfs/dbraw/zinc/22/38/37/279223837.db2.gz HSBBUHALTUIVSK-CYBMUJFWSA-N 2 2 339.530 1.660 20 0 EDADLP C[C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)[NH+]1CCSCC1 ZINC000131395516 279223840 /nfs/dbraw/zinc/22/38/40/279223840.db2.gz HSBBUHALTUIVSK-CYBMUJFWSA-N 2 2 339.530 1.660 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CCCCC3)C2)CC1 ZINC000118835133 279372965 /nfs/dbraw/zinc/37/29/65/279372965.db2.gz YIZJTSNJAGPDEJ-WMZOPIPTSA-N 2 2 336.524 1.536 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CCCCC3)C2)CC1 ZINC000118835133 279372967 /nfs/dbraw/zinc/37/29/67/279372967.db2.gz YIZJTSNJAGPDEJ-WMZOPIPTSA-N 2 2 336.524 1.536 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)C1 ZINC000261716335 279384514 /nfs/dbraw/zinc/38/45/14/279384514.db2.gz DWXQFSJMBIWWBM-JKSUJKDBSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)C1 ZINC000261716335 279384515 /nfs/dbraw/zinc/38/45/15/279384515.db2.gz DWXQFSJMBIWWBM-JKSUJKDBSA-N 2 2 337.851 1.534 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCCn2cc[nH+]c21 ZINC000176357870 279827349 /nfs/dbraw/zinc/82/73/49/279827349.db2.gz OOVUHBJXCOMEJN-ZBFHGGJFSA-N 2 2 332.448 1.378 20 0 EDADLP CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000287207406 288180251 /nfs/dbraw/zinc/18/02/51/288180251.db2.gz DULLNGHPEQTDRV-INIZCTEOSA-N 2 2 349.475 1.550 20 0 EDADLP CC[C@H](C)[N@@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000287207406 288180252 /nfs/dbraw/zinc/18/02/52/288180252.db2.gz DULLNGHPEQTDRV-INIZCTEOSA-N 2 2 349.475 1.550 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1)[NH+](CC)CC ZINC000266863056 280072242 /nfs/dbraw/zinc/07/22/42/280072242.db2.gz VHVVAJPVUSGNTK-OALUTQOASA-N 2 2 347.503 1.985 20 0 EDADLP Cc1ccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(Cl)n1 ZINC000287761322 288317254 /nfs/dbraw/zinc/31/72/54/288317254.db2.gz MBEQTGNBMDXCMC-UHFFFAOYSA-N 2 2 338.883 1.728 20 0 EDADLP O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000287796938 288325649 /nfs/dbraw/zinc/32/56/49/288325649.db2.gz OHPVZQRLAMREAH-FUHWJXTLSA-N 2 2 338.879 1.898 20 0 EDADLP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000287796938 288325651 /nfs/dbraw/zinc/32/56/51/288325651.db2.gz OHPVZQRLAMREAH-FUHWJXTLSA-N 2 2 338.879 1.898 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000288028475 288384762 /nfs/dbraw/zinc/38/47/62/288384762.db2.gz IASFRFCVTWUTNQ-OLZOCXBDSA-N 2 2 332.404 1.114 20 0 EDADLP C[C@@H](O)c1ncc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)s1 ZINC000289217845 288652939 /nfs/dbraw/zinc/65/29/39/288652939.db2.gz JBZZRZLKLSVERN-GFCCVEGCSA-N 2 2 333.461 1.955 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000290129620 288844789 /nfs/dbraw/zinc/84/47/89/288844789.db2.gz ZJHIYUHGZCOCKT-NXHRZFHOSA-N 2 2 331.460 1.564 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000290137617 288846253 /nfs/dbraw/zinc/84/62/53/288846253.db2.gz MFCDYHZGKCHMNM-QYZOEREBSA-N 2 2 345.487 1.498 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000290148759 288848107 /nfs/dbraw/zinc/84/81/07/288848107.db2.gz LEDPOZCPLVIBFA-RTBURBONSA-N 2 2 345.487 1.769 20 0 EDADLP COCc1cc(NC[C@@H](O)C[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000290542235 288914203 /nfs/dbraw/zinc/91/42/03/288914203.db2.gz PIYWXJYNOOCRAZ-OAHLLOKOSA-N 2 2 349.406 1.625 20 0 EDADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCn2c[nH+]cc2C1 ZINC000291202329 289017416 /nfs/dbraw/zinc/01/74/16/289017416.db2.gz UTAQUMKWUJQSAV-GOSISDBHSA-N 2 2 340.427 1.516 20 0 EDADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCn2c[nH+]cc2C1 ZINC000291202329 289017417 /nfs/dbraw/zinc/01/74/17/289017417.db2.gz UTAQUMKWUJQSAV-GOSISDBHSA-N 2 2 340.427 1.516 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2(CCO)CCCCC2)CC1 ZINC000338675980 289068601 /nfs/dbraw/zinc/06/86/01/289068601.db2.gz OTYNXGCKTMJBBQ-UHFFFAOYSA-N 2 2 340.512 1.397 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000292015288 289239689 /nfs/dbraw/zinc/23/96/89/289239689.db2.gz DRZXZKLWZCMDGH-QGZVFWFLSA-N 2 2 331.460 1.742 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000292177580 289282235 /nfs/dbraw/zinc/28/22/35/289282235.db2.gz QGKIUFZWCFDTBV-IBGZPJMESA-N 2 2 344.459 1.979 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000292177580 289282239 /nfs/dbraw/zinc/28/22/39/289282239.db2.gz QGKIUFZWCFDTBV-IBGZPJMESA-N 2 2 344.459 1.979 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000292177580 289282244 /nfs/dbraw/zinc/28/22/44/289282244.db2.gz QGKIUFZWCFDTBV-IBGZPJMESA-N 2 2 344.459 1.979 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000292177580 289282248 /nfs/dbraw/zinc/28/22/48/289282248.db2.gz QGKIUFZWCFDTBV-IBGZPJMESA-N 2 2 344.459 1.979 20 0 EDADLP COCC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000292355101 289324291 /nfs/dbraw/zinc/32/42/91/289324291.db2.gz QBXKOCVBMTWIHY-UHFFFAOYSA-N 2 2 339.505 1.749 20 0 EDADLP COCC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000292355101 289324296 /nfs/dbraw/zinc/32/42/96/289324296.db2.gz QBXKOCVBMTWIHY-UHFFFAOYSA-N 2 2 339.505 1.749 20 0 EDADLP C[C@H](CNC(=O)N1CCn2c[nH+]cc2C1)[N@@H+]1CCc2ccccc2C1 ZINC000292625601 289398568 /nfs/dbraw/zinc/39/85/68/289398568.db2.gz XKKUSTVTQSLGSJ-OAHLLOKOSA-N 2 2 339.443 1.855 20 0 EDADLP C[C@H](CNC(=O)N1CCn2c[nH+]cc2C1)[N@H+]1CCc2ccccc2C1 ZINC000292625601 289398570 /nfs/dbraw/zinc/39/85/70/289398570.db2.gz XKKUSTVTQSLGSJ-OAHLLOKOSA-N 2 2 339.443 1.855 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245874415 290211231 /nfs/dbraw/zinc/21/12/31/290211231.db2.gz MMSPBTJOHHBBBM-JYJNAYRXSA-N 2 2 337.851 1.532 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245874415 290211236 /nfs/dbraw/zinc/21/12/36/290211236.db2.gz MMSPBTJOHHBBBM-JYJNAYRXSA-N 2 2 337.851 1.532 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245874415 290211239 /nfs/dbraw/zinc/21/12/39/290211239.db2.gz MMSPBTJOHHBBBM-JYJNAYRXSA-N 2 2 337.851 1.532 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000245874415 290211243 /nfs/dbraw/zinc/21/12/43/290211243.db2.gz MMSPBTJOHHBBBM-JYJNAYRXSA-N 2 2 337.851 1.532 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3N3CCCC3=O)C[C@H]12 ZINC000351486355 295321275 /nfs/dbraw/zinc/32/12/75/295321275.db2.gz ACNSDJGRZOCMLR-QLFBSQMISA-N 2 2 342.443 1.421 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3N3CCCC3=O)C[C@H]12 ZINC000351486355 295321278 /nfs/dbraw/zinc/32/12/78/295321278.db2.gz ACNSDJGRZOCMLR-QLFBSQMISA-N 2 2 342.443 1.421 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000418522436 304508367 /nfs/dbraw/zinc/50/83/67/304508367.db2.gz KAQMNFBQVVHYOT-OAHLLOKOSA-N 2 2 346.479 1.350 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418652857 304525513 /nfs/dbraw/zinc/52/55/13/304525513.db2.gz NONFVJYXHKZWTA-CRAIPNDOSA-N 2 2 348.491 1.611 20 0 EDADLP C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000124179661 298024021 /nfs/dbraw/zinc/02/40/21/298024021.db2.gz IOBHJTDPWOYENZ-MSOLQXFVSA-N 2 2 337.508 1.964 20 0 EDADLP C[C@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000237564087 299032616 /nfs/dbraw/zinc/03/26/16/299032616.db2.gz GQMVITDQGVRRGR-IRXDYDNUSA-N 2 2 345.487 1.533 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372841602 447310336 /nfs/dbraw/zinc/31/03/36/447310336.db2.gz MPDDDLMJDQKGAJ-IXDOHACOSA-N 2 2 343.475 1.929 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372841602 447310342 /nfs/dbraw/zinc/31/03/42/447310342.db2.gz MPDDDLMJDQKGAJ-IXDOHACOSA-N 2 2 343.475 1.929 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419941423 304714849 /nfs/dbraw/zinc/71/48/49/304714849.db2.gz WQVSTTJVWLZKER-HUUCEWRRSA-N 2 2 347.463 1.215 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c(OC)cc1Cl ZINC000430935523 305069321 /nfs/dbraw/zinc/06/93/21/305069321.db2.gz QJRZQCQDDYUDOO-SNVBAGLBSA-N 2 2 327.812 1.576 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[N@H+](CC(N)=O)CC1 ZINC000372855121 447316954 /nfs/dbraw/zinc/31/69/54/447316954.db2.gz BAWAIVZWRWBVQG-UHFFFAOYSA-N 2 2 328.416 1.549 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[N@@H+](CC(N)=O)CC1 ZINC000372855121 447316957 /nfs/dbraw/zinc/31/69/57/447316957.db2.gz BAWAIVZWRWBVQG-UHFFFAOYSA-N 2 2 328.416 1.549 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)NCC(F)(F)F)[nH+]1 ZINC000377723859 447317515 /nfs/dbraw/zinc/31/75/15/447317515.db2.gz SWRNUWQKKIPCMS-LBPRGKRZSA-N 2 2 330.354 1.945 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NCC(F)(F)F)[nH+]1 ZINC000377723859 447317523 /nfs/dbraw/zinc/31/75/23/447317523.db2.gz SWRNUWQKKIPCMS-LBPRGKRZSA-N 2 2 330.354 1.945 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000294760650 303144288 /nfs/dbraw/zinc/14/42/88/303144288.db2.gz ZTYWRICKTXRDNI-SFHVURJKSA-N 2 2 341.411 1.607 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000294760650 303144289 /nfs/dbraw/zinc/14/42/89/303144289.db2.gz ZTYWRICKTXRDNI-SFHVURJKSA-N 2 2 341.411 1.607 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000295045069 303166679 /nfs/dbraw/zinc/16/66/79/303166679.db2.gz FDWDCKPZBSFFNX-RDJZCZTQSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000295045069 303166677 /nfs/dbraw/zinc/16/66/77/303166677.db2.gz FDWDCKPZBSFFNX-RDJZCZTQSA-N 2 2 349.475 1.849 20 0 EDADLP CCOC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295994882 303288265 /nfs/dbraw/zinc/28/82/65/303288265.db2.gz PGTCYQVHRCVGHC-HZPDHXFCSA-N 2 2 335.448 1.532 20 0 EDADLP CCOC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295994882 303288267 /nfs/dbraw/zinc/28/82/67/303288267.db2.gz PGTCYQVHRCVGHC-HZPDHXFCSA-N 2 2 335.448 1.532 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000297329863 303386224 /nfs/dbraw/zinc/38/62/24/303386224.db2.gz GMARFFSRYHLPEX-OAHLLOKOSA-N 2 2 348.472 1.785 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc[nH+]cc1C(N)=O ZINC000302212272 303718612 /nfs/dbraw/zinc/71/86/12/303718612.db2.gz HHVNKNZTBZMRAS-AWEZNQCLSA-N 2 2 340.431 1.198 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+]C3(CO)CCCC3)CC2)c1 ZINC000304895636 303755917 /nfs/dbraw/zinc/75/59/17/303755917.db2.gz PROLEWNULIMVPW-UHFFFAOYSA-N 2 2 345.487 1.534 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000422961544 304881153 /nfs/dbraw/zinc/88/11/53/304881153.db2.gz ZDGXVXJVINPEEY-CRAIPNDOSA-N 2 2 331.460 1.666 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000423893494 304913959 /nfs/dbraw/zinc/91/39/59/304913959.db2.gz LAQCVPVGWXVJNF-SFHVURJKSA-N 2 2 326.444 1.994 20 0 EDADLP COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425386096 304962683 /nfs/dbraw/zinc/96/26/83/304962683.db2.gz SJFAWNFAGQKVDD-RHSMWYFYSA-N 2 2 344.459 1.996 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000428033080 305004507 /nfs/dbraw/zinc/00/45/07/305004507.db2.gz PQPSVSVUGOJLTL-QAPCUYQASA-N 2 2 346.450 1.158 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000428033080 305004508 /nfs/dbraw/zinc/00/45/08/305004508.db2.gz PQPSVSVUGOJLTL-QAPCUYQASA-N 2 2 346.450 1.158 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428034323 305004700 /nfs/dbraw/zinc/00/47/00/305004700.db2.gz NZGNKAGRFNZGCN-IGCXYCKISA-N 2 2 337.414 1.696 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428034323 305004701 /nfs/dbraw/zinc/00/47/01/305004701.db2.gz NZGNKAGRFNZGCN-IGCXYCKISA-N 2 2 337.414 1.696 20 0 EDADLP C[C@@H]1[NH2+]CCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@H]1C ZINC000428042654 305005282 /nfs/dbraw/zinc/00/52/82/305005282.db2.gz DBXGDFWLPOVOHR-STQMWFEESA-N 2 2 337.493 1.360 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430544994 305055971 /nfs/dbraw/zinc/05/59/71/305055971.db2.gz POKMCDGRGQWRMT-HNNXBMFYSA-N 2 2 349.475 1.592 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430544994 305055972 /nfs/dbraw/zinc/05/59/72/305055972.db2.gz POKMCDGRGQWRMT-HNNXBMFYSA-N 2 2 349.475 1.592 20 0 EDADLP Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000430568688 305056234 /nfs/dbraw/zinc/05/62/34/305056234.db2.gz GGMDNAZRVRGOKR-MRXNPFEDSA-N 2 2 349.414 1.011 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430588628 305057437 /nfs/dbraw/zinc/05/74/37/305057437.db2.gz FLIXEKOWMUWROE-MRXNPFEDSA-N 2 2 330.432 1.565 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430588628 305057438 /nfs/dbraw/zinc/05/74/38/305057438.db2.gz FLIXEKOWMUWROE-MRXNPFEDSA-N 2 2 330.432 1.565 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCc1ccccc1Cn1cccn1)C1CC1 ZINC000430590945 305057526 /nfs/dbraw/zinc/05/75/26/305057526.db2.gz MIUZVUCQBKUUOT-IBGZPJMESA-N 2 2 341.459 1.265 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+](C)C2CC[NH2+]CC2)c1OC ZINC000430605870 305058367 /nfs/dbraw/zinc/05/83/67/305058367.db2.gz STMSPUXBALVPLU-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1OC ZINC000430605870 305058368 /nfs/dbraw/zinc/05/83/68/305058368.db2.gz STMSPUXBALVPLU-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000430632518 305060320 /nfs/dbraw/zinc/06/03/20/305060320.db2.gz XPKSXLLJGBBLPE-ZBFHGGJFSA-N 2 2 332.448 1.332 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)C1 ZINC000430632518 305060321 /nfs/dbraw/zinc/06/03/21/305060321.db2.gz XPKSXLLJGBBLPE-ZBFHGGJFSA-N 2 2 332.448 1.332 20 0 EDADLP [NH3+]C1CC[NH+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000430643789 305060888 /nfs/dbraw/zinc/06/08/88/305060888.db2.gz SKVVVLDUYDTOJV-UHFFFAOYSA-N 2 2 334.464 1.204 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000430703913 305062898 /nfs/dbraw/zinc/06/28/98/305062898.db2.gz WIJSZDPQNLNZCJ-SFHVURJKSA-N 2 2 340.427 1.875 20 0 EDADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000430922582 305068300 /nfs/dbraw/zinc/06/83/00/305068300.db2.gz BIJDMTXDMZQAHZ-ZDUSSCGKSA-N 2 2 337.439 1.865 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430921746 305068354 /nfs/dbraw/zinc/06/83/54/305068354.db2.gz ZKHRTCZFWDIFBK-CRAIPNDOSA-N 2 2 333.476 1.974 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430921746 305068355 /nfs/dbraw/zinc/06/83/55/305068355.db2.gz ZKHRTCZFWDIFBK-CRAIPNDOSA-N 2 2 333.476 1.974 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000430931009 305068856 /nfs/dbraw/zinc/06/88/56/305068856.db2.gz BYXMBGOTJQDUAL-KSSFIOAISA-N 2 2 331.460 1.855 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C2CC2)cc1 ZINC000430931009 305068857 /nfs/dbraw/zinc/06/88/57/305068857.db2.gz BYXMBGOTJQDUAL-KSSFIOAISA-N 2 2 331.460 1.855 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c(OC)cc1Cl ZINC000430935523 305069320 /nfs/dbraw/zinc/06/93/20/305069320.db2.gz QJRZQCQDDYUDOO-SNVBAGLBSA-N 2 2 327.812 1.576 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430956753 305070649 /nfs/dbraw/zinc/07/06/49/305070649.db2.gz QAPQDVBXCYPQGN-IRXDYDNUSA-N 2 2 330.476 1.170 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430956753 305070650 /nfs/dbraw/zinc/07/06/50/305070650.db2.gz QAPQDVBXCYPQGN-IRXDYDNUSA-N 2 2 330.476 1.170 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000430956477 305070680 /nfs/dbraw/zinc/07/06/80/305070680.db2.gz OWAWAOSHQHKOBW-CYBMUJFWSA-N 2 2 331.395 1.539 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000430956477 305070681 /nfs/dbraw/zinc/07/06/81/305070681.db2.gz OWAWAOSHQHKOBW-CYBMUJFWSA-N 2 2 331.395 1.539 20 0 EDADLP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000430964131 305071205 /nfs/dbraw/zinc/07/12/05/305071205.db2.gz CMHXOYCUBFMBOE-GFCCVEGCSA-N 2 2 339.461 1.088 20 0 EDADLP CCC[N@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)C1CC[NH2+]CC1 ZINC000431083069 305074530 /nfs/dbraw/zinc/07/45/30/305074530.db2.gz XNHVGNCGMRRZKU-SFHVURJKSA-N 2 2 346.475 1.054 20 0 EDADLP CCC[N@@H+](CC(=O)N[C@H](C(=O)NC)c1ccccc1)C1CC[NH2+]CC1 ZINC000431083069 305074531 /nfs/dbraw/zinc/07/45/31/305074531.db2.gz XNHVGNCGMRRZKU-SFHVURJKSA-N 2 2 346.475 1.054 20 0 EDADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433386246 305107408 /nfs/dbraw/zinc/10/74/08/305107408.db2.gz HIXTZVHHLUJRPG-AWEZNQCLSA-N 2 2 337.387 1.845 20 0 EDADLP O=C(NCCC[NH2+]C1CCCCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000434457633 305123278 /nfs/dbraw/zinc/12/32/78/305123278.db2.gz YLYVFHJRTIWTTI-UHFFFAOYSA-N 2 2 338.496 1.463 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000434491379 305123396 /nfs/dbraw/zinc/12/33/96/305123396.db2.gz IQNBLHIQHSSNFO-FUHWJXTLSA-N 2 2 328.460 1.599 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000434491379 305123397 /nfs/dbraw/zinc/12/33/97/305123397.db2.gz IQNBLHIQHSSNFO-FUHWJXTLSA-N 2 2 328.460 1.599 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000434491379 305123398 /nfs/dbraw/zinc/12/33/98/305123398.db2.gz IQNBLHIQHSSNFO-FUHWJXTLSA-N 2 2 328.460 1.599 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000434491379 305123399 /nfs/dbraw/zinc/12/33/99/305123399.db2.gz IQNBLHIQHSSNFO-FUHWJXTLSA-N 2 2 328.460 1.599 20 0 EDADLP Cc1ncoc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435557757 305142249 /nfs/dbraw/zinc/14/22/49/305142249.db2.gz BFGCEKKAWNBBBD-ZDUSSCGKSA-N 2 2 329.404 1.501 20 0 EDADLP CCn1ccnc1C[N@H+](CCn1cncn1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696935 305145493 /nfs/dbraw/zinc/14/54/93/305145493.db2.gz QWFCFEBVKDPFKC-HNNXBMFYSA-N 2 2 329.452 1.139 20 0 EDADLP CCn1ccnc1C[N@@H+](CCn1cncn1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696935 305145494 /nfs/dbraw/zinc/14/54/94/305145494.db2.gz QWFCFEBVKDPFKC-HNNXBMFYSA-N 2 2 329.452 1.139 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1nc(C)no1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698706 305145744 /nfs/dbraw/zinc/14/57/44/305145744.db2.gz WZYHFDGSDUTQBL-CQSZACIVSA-N 2 2 330.436 1.739 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(C[C@@H]3CCC[NH2+]3)n2)c1 ZINC000435721610 305146506 /nfs/dbraw/zinc/14/65/06/305146506.db2.gz DNKCJPFNOAMKKN-INIZCTEOSA-N 2 2 328.416 1.863 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)n1C ZINC000436481114 305158271 /nfs/dbraw/zinc/15/82/71/305158271.db2.gz OXTWSYDDUYHIKQ-UHFFFAOYSA-N 2 2 330.436 1.008 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000438203378 305182982 /nfs/dbraw/zinc/18/29/82/305182982.db2.gz VHVWOFNYGCNXHK-UHFFFAOYSA-N 2 2 343.874 1.959 20 0 EDADLP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000441388168 305221889 /nfs/dbraw/zinc/22/18/89/305221889.db2.gz RPQIGGIFSWOHEP-UHFFFAOYSA-N 3 2 327.476 1.988 20 0 EDADLP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000441388168 305221890 /nfs/dbraw/zinc/22/18/90/305221890.db2.gz RPQIGGIFSWOHEP-UHFFFAOYSA-N 3 2 327.476 1.988 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000444347468 305246436 /nfs/dbraw/zinc/24/64/36/305246436.db2.gz YDNKFBLRJRKVHT-OAHLLOKOSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(N(C)C)cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000444347468 305246437 /nfs/dbraw/zinc/24/64/37/305246437.db2.gz YDNKFBLRJRKVHT-OAHLLOKOSA-N 2 2 345.491 1.388 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000446369180 305263997 /nfs/dbraw/zinc/26/39/97/305263997.db2.gz LJESFTDVDJZPAX-JOQOYGCGSA-N 2 2 332.448 1.368 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000446660967 305268669 /nfs/dbraw/zinc/26/86/69/305268669.db2.gz CEQZCCBNTYNPBA-UHFFFAOYSA-N 2 2 328.372 1.729 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447656703 305283828 /nfs/dbraw/zinc/28/38/28/305283828.db2.gz NIVXUIYLIVGGDV-IYBDPMFKSA-N 2 2 345.553 1.629 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447656703 305283829 /nfs/dbraw/zinc/28/38/29/305283829.db2.gz NIVXUIYLIVGGDV-IYBDPMFKSA-N 2 2 345.553 1.629 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)[NH+]2CCOCC2)s1 ZINC000449141434 305307660 /nfs/dbraw/zinc/30/76/60/305307660.db2.gz LLBMBKQVJJAPJA-DZGCQCFKSA-N 2 2 337.489 1.687 20 0 EDADLP CCN(CCO)CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449246576 305309459 /nfs/dbraw/zinc/30/94/59/305309459.db2.gz CGAICSBSHBMJOI-SFHVURJKSA-N 2 2 333.520 1.986 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c2[nH+]ccn2C)cc1 ZINC000449316198 305311336 /nfs/dbraw/zinc/31/13/36/305311336.db2.gz MENFKMSLGJRYCS-WQVCFCJDSA-N 2 2 328.416 1.490 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000449346721 305312018 /nfs/dbraw/zinc/31/20/18/305312018.db2.gz CNNHRYSPXNWAKR-HZSPNIEDSA-N 2 2 337.414 1.901 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000449346721 305312019 /nfs/dbraw/zinc/31/20/19/305312019.db2.gz CNNHRYSPXNWAKR-HZSPNIEDSA-N 2 2 337.414 1.901 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCSC[C@H]1C1CC1)[NH+]1CCOCC1 ZINC000451650096 305359107 /nfs/dbraw/zinc/35/91/07/305359107.db2.gz UMZWVMXVAYVPES-HNNXBMFYSA-N 2 2 341.521 1.041 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCSC[C@H]1C1CC1)[NH+]1CCOCC1 ZINC000451650096 305359108 /nfs/dbraw/zinc/35/91/08/305359108.db2.gz UMZWVMXVAYVPES-HNNXBMFYSA-N 2 2 341.521 1.041 20 0 EDADLP CC1(C)COC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000451823731 305370891 /nfs/dbraw/zinc/37/08/91/305370891.db2.gz KKSVYYKBPRLOLY-QGZVFWFLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCN1C(=O)c1cnn(C)c1 ZINC000452050550 305380447 /nfs/dbraw/zinc/38/04/47/305380447.db2.gz JXXAJERJNDUHPG-RDJZCZTQSA-N 2 2 333.480 1.441 20 0 EDADLP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCN1C(=O)c1cnn(C)c1 ZINC000452050550 305380448 /nfs/dbraw/zinc/38/04/48/305380448.db2.gz JXXAJERJNDUHPG-RDJZCZTQSA-N 2 2 333.480 1.441 20 0 EDADLP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCN1C(=O)c1cnn(C)c1 ZINC000452050550 305380449 /nfs/dbraw/zinc/38/04/49/305380449.db2.gz JXXAJERJNDUHPG-RDJZCZTQSA-N 2 2 333.480 1.441 20 0 EDADLP C[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCN1C(=O)c1cnn(C)c1 ZINC000452050550 305380450 /nfs/dbraw/zinc/38/04/50/305380450.db2.gz JXXAJERJNDUHPG-RDJZCZTQSA-N 2 2 333.480 1.441 20 0 EDADLP C[C@H]1C[C@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000452088981 305381906 /nfs/dbraw/zinc/38/19/06/305381906.db2.gz DGYHLGOAKYUXCG-GJZGRUSLSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H]1C[C@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000452088981 305381907 /nfs/dbraw/zinc/38/19/07/305381907.db2.gz DGYHLGOAKYUXCG-GJZGRUSLSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@@H+](C2CC2)C1 ZINC000452173845 305385835 /nfs/dbraw/zinc/38/58/35/305385835.db2.gz OCMJCHOCFIVWDR-QAPCUYQASA-N 2 2 335.492 1.573 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+](C2CC2)C1 ZINC000452173845 305385836 /nfs/dbraw/zinc/38/58/36/305385836.db2.gz OCMJCHOCFIVWDR-QAPCUYQASA-N 2 2 335.492 1.573 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+](C2CC2)C1 ZINC000452173845 305385837 /nfs/dbraw/zinc/38/58/37/305385837.db2.gz OCMJCHOCFIVWDR-QAPCUYQASA-N 2 2 335.492 1.573 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+](C2CC2)C1 ZINC000452173845 305385838 /nfs/dbraw/zinc/38/58/38/305385838.db2.gz OCMJCHOCFIVWDR-QAPCUYQASA-N 2 2 335.492 1.573 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000452387788 305397096 /nfs/dbraw/zinc/39/70/96/305397096.db2.gz ICOVDGQLQQVTNB-QGZVFWFLSA-N 2 2 328.416 1.449 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000452387788 305397097 /nfs/dbraw/zinc/39/70/97/305397097.db2.gz ICOVDGQLQQVTNB-QGZVFWFLSA-N 2 2 328.416 1.449 20 0 EDADLP C[C@H](CNc1nc(NC[C@H](C)C[NH+](C)C)[nH+]cc1Cl)C[NH+](C)C ZINC000489021190 305561051 /nfs/dbraw/zinc/56/10/51/305561051.db2.gz VBBWZZZNGGAYBA-OLZOCXBDSA-N 3 2 342.919 1.193 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)c1C ZINC000414924857 447359311 /nfs/dbraw/zinc/35/93/11/447359311.db2.gz HXRHBQWSQRWDBM-MRXNPFEDSA-N 2 2 336.480 1.931 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000377794792 447359820 /nfs/dbraw/zinc/35/98/20/447359820.db2.gz MKCCJFSFOOXNSX-OWCLPIDISA-N 2 2 335.452 1.072 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000377794792 447359824 /nfs/dbraw/zinc/35/98/24/447359824.db2.gz MKCCJFSFOOXNSX-OWCLPIDISA-N 2 2 335.452 1.072 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000425915544 447360010 /nfs/dbraw/zinc/36/00/10/447360010.db2.gz JSRQDDJIXQGEOL-OAHLLOKOSA-N 2 2 331.420 1.244 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000425915544 447360011 /nfs/dbraw/zinc/36/00/11/447360011.db2.gz JSRQDDJIXQGEOL-OAHLLOKOSA-N 2 2 331.420 1.244 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H](C)[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000519248553 305767856 /nfs/dbraw/zinc/76/78/56/305767856.db2.gz IYQOLWWOJHMRQK-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](c1cccc(NC(=O)NC[C@@H]2COCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000528678507 305883542 /nfs/dbraw/zinc/88/35/42/305883542.db2.gz FWWTXLWOVGVHNY-RHSMWYFYSA-N 2 2 348.447 1.190 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000528991274 305895872 /nfs/dbraw/zinc/89/58/72/305895872.db2.gz LISFSNJHJHBGHV-UHFFFAOYSA-N 2 2 334.464 1.543 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@@]3([NH+](C)C)CCSC3)[nH+]c12 ZINC000530890442 305948906 /nfs/dbraw/zinc/94/89/06/305948906.db2.gz GNYTZQNAUQNDJV-KRWDZBQOSA-N 2 2 332.473 1.739 20 0 EDADLP Cn1cnnc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000534107627 306003657 /nfs/dbraw/zinc/00/36/57/306003657.db2.gz MKVHOTMOVNJDRM-UHFFFAOYSA-N 3 2 334.512 1.443 20 0 EDADLP Cn1cnnc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000534107627 306003658 /nfs/dbraw/zinc/00/36/58/306003658.db2.gz MKVHOTMOVNJDRM-UHFFFAOYSA-N 3 2 334.512 1.443 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nncn1C ZINC000534107627 306003659 /nfs/dbraw/zinc/00/36/59/306003659.db2.gz MKVHOTMOVNJDRM-UHFFFAOYSA-N 2 2 334.512 1.443 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cscn1 ZINC000536625587 306024236 /nfs/dbraw/zinc/02/42/36/306024236.db2.gz SIQPEMGOMTXHAT-CQSZACIVSA-N 2 2 345.472 1.928 20 0 EDADLP CC[NH+]1CCC(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000537400438 306026942 /nfs/dbraw/zinc/02/69/42/306026942.db2.gz BRUSSHLJSGJRSG-UHFFFAOYSA-N 2 2 331.464 1.706 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(=O)N(C)C)[nH]3)C2)CC1 ZINC000539861502 306037859 /nfs/dbraw/zinc/03/78/59/306037859.db2.gz BWOSNFFOHIYLET-QGZVFWFLSA-N 2 2 347.507 1.317 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(=O)N(C)C)[nH]3)C2)CC1 ZINC000539861502 306037860 /nfs/dbraw/zinc/03/78/60/306037860.db2.gz BWOSNFFOHIYLET-QGZVFWFLSA-N 2 2 347.507 1.317 20 0 EDADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542161804 306051799 /nfs/dbraw/zinc/05/17/99/306051799.db2.gz ZEWZRDMPAMVUHU-WFASDCNBSA-N 2 2 330.436 1.304 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc2c(c1)COC2 ZINC000544563621 306076551 /nfs/dbraw/zinc/07/65/51/306076551.db2.gz ZCQOAXDQKPGLAQ-UHFFFAOYSA-N 2 2 345.487 1.744 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc2c(c1)COC2 ZINC000544563621 306076552 /nfs/dbraw/zinc/07/65/52/306076552.db2.gz ZCQOAXDQKPGLAQ-UHFFFAOYSA-N 2 2 345.487 1.744 20 0 EDADLP C[NH+]1CCC(Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000545899472 306087295 /nfs/dbraw/zinc/08/72/95/306087295.db2.gz OKLRFDMJTHDMJY-UHFFFAOYSA-N 3 2 343.475 1.944 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000551901076 306166921 /nfs/dbraw/zinc/16/69/21/306166921.db2.gz GDIZBWFUAVSBTD-SGTLLEGYSA-N 2 2 341.415 1.601 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000551901076 306166922 /nfs/dbraw/zinc/16/69/22/306166922.db2.gz GDIZBWFUAVSBTD-SGTLLEGYSA-N 2 2 341.415 1.601 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557541446 306229136 /nfs/dbraw/zinc/22/91/36/306229136.db2.gz SJEKUVHAUVVMAH-MRXNPFEDSA-N 2 2 339.443 1.621 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@@H+]1CCc3sccc3C1)CC2 ZINC000557562558 306229419 /nfs/dbraw/zinc/22/94/19/306229419.db2.gz HDGBTEIRDUVRSW-HNNXBMFYSA-N 2 2 344.484 1.990 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@H+]1CCc3sccc3C1)CC2 ZINC000557562558 306229420 /nfs/dbraw/zinc/22/94/20/306229420.db2.gz HDGBTEIRDUVRSW-HNNXBMFYSA-N 2 2 344.484 1.990 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000456348359 447369401 /nfs/dbraw/zinc/36/94/01/447369401.db2.gz UZSJBCGWRZBZLJ-FUHWJXTLSA-N 2 2 331.460 1.298 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456348359 447369408 /nfs/dbraw/zinc/36/94/08/447369408.db2.gz UZSJBCGWRZBZLJ-FUHWJXTLSA-N 2 2 331.460 1.298 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC000456348359 447369415 /nfs/dbraw/zinc/36/94/15/447369415.db2.gz UZSJBCGWRZBZLJ-FUHWJXTLSA-N 2 2 331.460 1.298 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC000456348359 447369420 /nfs/dbraw/zinc/36/94/20/447369420.db2.gz UZSJBCGWRZBZLJ-FUHWJXTLSA-N 2 2 331.460 1.298 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC(C)(C)[NH+]3CCOCC3)cn2c1 ZINC000057228585 441100677 /nfs/dbraw/zinc/10/06/77/441100677.db2.gz HKLIQDPBZCZJEA-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057171740 441095739 /nfs/dbraw/zinc/09/57/39/441095739.db2.gz YQKUSFYYYGNDTG-QGZVFWFLSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)[C@H](C)[NH+]1CCOCC1 ZINC000105101169 441233025 /nfs/dbraw/zinc/23/30/25/441233025.db2.gz VNGQSMIIGQTJFO-CABCVRRESA-N 2 2 345.447 1.285 20 0 EDADLP CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000015260184 441198603 /nfs/dbraw/zinc/19/86/03/441198603.db2.gz RNEPVZUKFHDYRL-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000015260184 441198606 /nfs/dbraw/zinc/19/86/06/441198606.db2.gz RNEPVZUKFHDYRL-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000071923073 441199388 /nfs/dbraw/zinc/19/93/88/441199388.db2.gz GDUHNOVDCITMFR-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000071923073 441199390 /nfs/dbraw/zinc/19/93/90/441199390.db2.gz GDUHNOVDCITMFR-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000080961139 441212045 /nfs/dbraw/zinc/21/20/45/441212045.db2.gz NYPSCXKLPZFUHU-CQSZACIVSA-N 2 2 342.399 1.634 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCc1ccc2c(c1)OCO2 ZINC000080961139 441212046 /nfs/dbraw/zinc/21/20/46/441212046.db2.gz NYPSCXKLPZFUHU-CQSZACIVSA-N 2 2 342.399 1.634 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961572 441212332 /nfs/dbraw/zinc/21/23/32/441212332.db2.gz XXWJGXIGSVJSJQ-KGLIPLIRSA-N 2 2 330.436 1.967 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961572 441212336 /nfs/dbraw/zinc/21/23/36/441212336.db2.gz XXWJGXIGSVJSJQ-KGLIPLIRSA-N 2 2 330.436 1.967 20 0 EDADLP O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000104946382 441223715 /nfs/dbraw/zinc/22/37/15/441223715.db2.gz FQRRTSUEHLUMJB-MRXNPFEDSA-N 2 2 348.443 1.715 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000081355119 441256242 /nfs/dbraw/zinc/25/62/42/441256242.db2.gz QNZUUZSPTGCLBS-HUUCEWRRSA-N 2 2 331.526 1.287 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000072938004 441277356 /nfs/dbraw/zinc/27/73/56/441277356.db2.gz SXUBLFIIQCBDLE-KRWDZBQOSA-N 2 2 330.476 1.139 20 0 EDADLP COc1cc[nH+]c(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000106933506 441392545 /nfs/dbraw/zinc/39/25/45/441392545.db2.gz QCKUMVMYPLZIML-UHFFFAOYSA-N 2 2 332.448 1.220 20 0 EDADLP COc1cc[nH+]c(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000106933506 441392548 /nfs/dbraw/zinc/39/25/48/441392548.db2.gz QCKUMVMYPLZIML-UHFFFAOYSA-N 2 2 332.448 1.220 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000074851710 441472232 /nfs/dbraw/zinc/47/22/32/441472232.db2.gz WNUQCMJICFKWIY-WBVHZDCISA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074851710 441472236 /nfs/dbraw/zinc/47/22/36/441472236.db2.gz WNUQCMJICFKWIY-WBVHZDCISA-N 2 2 338.496 1.080 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000065815759 441487384 /nfs/dbraw/zinc/48/73/84/441487384.db2.gz NFHOXSWQJPTBPT-UHFFFAOYSA-N 2 2 347.463 1.275 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000065815759 441487388 /nfs/dbraw/zinc/48/73/88/441487388.db2.gz NFHOXSWQJPTBPT-UHFFFAOYSA-N 2 2 347.463 1.275 20 0 EDADLP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000108591054 441467553 /nfs/dbraw/zinc/46/75/53/441467553.db2.gz VXMDKDNZPWPNKP-KRWDZBQOSA-N 2 2 331.464 1.251 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000108591054 441467557 /nfs/dbraw/zinc/46/75/57/441467557.db2.gz VXMDKDNZPWPNKP-KRWDZBQOSA-N 2 2 331.464 1.251 20 0 EDADLP CC(C)N(C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C(C)C ZINC000109755558 441504357 /nfs/dbraw/zinc/50/43/57/441504357.db2.gz NAVWHGRDYABEMS-GOSISDBHSA-N 2 2 338.540 1.734 20 0 EDADLP CC(C)N(C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C(C)C ZINC000109755558 441504361 /nfs/dbraw/zinc/50/43/61/441504361.db2.gz NAVWHGRDYABEMS-GOSISDBHSA-N 2 2 338.540 1.734 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2cn[nH]c21 ZINC000112921399 441568738 /nfs/dbraw/zinc/56/87/38/441568738.db2.gz GRZTXXWHEFSLDF-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2cn[nH]c21 ZINC000112921399 441568741 /nfs/dbraw/zinc/56/87/41/441568741.db2.gz GRZTXXWHEFSLDF-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2c[nH]nc21 ZINC000112921399 441568744 /nfs/dbraw/zinc/56/87/44/441568744.db2.gz GRZTXXWHEFSLDF-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2c[nH]nc21 ZINC000112921399 441568748 /nfs/dbraw/zinc/56/87/48/441568748.db2.gz GRZTXXWHEFSLDF-UHFFFAOYSA-N 2 2 329.448 1.661 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000114198987 441640493 /nfs/dbraw/zinc/64/04/93/441640493.db2.gz UOQAAAKNCJJCCR-GDBMZVCRSA-N 2 2 349.475 1.592 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000114198987 441640496 /nfs/dbraw/zinc/64/04/96/441640496.db2.gz UOQAAAKNCJJCCR-GDBMZVCRSA-N 2 2 349.475 1.592 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000076555608 441657874 /nfs/dbraw/zinc/65/78/74/441657874.db2.gz GPQRZPGQNUSFKY-KRWDZBQOSA-N 2 2 346.475 1.617 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000076555608 441657876 /nfs/dbraw/zinc/65/78/76/441657876.db2.gz GPQRZPGQNUSFKY-KRWDZBQOSA-N 2 2 346.475 1.617 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000114479553 441663407 /nfs/dbraw/zinc/66/34/07/441663407.db2.gz WCFDQXDJYZIYPA-KRWDZBQOSA-N 2 2 333.476 1.974 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000114479553 441663411 /nfs/dbraw/zinc/66/34/11/441663411.db2.gz WCFDQXDJYZIYPA-KRWDZBQOSA-N 2 2 333.476 1.974 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114479551 441663510 /nfs/dbraw/zinc/66/35/10/441663510.db2.gz WCFDQXDJYZIYPA-QGZVFWFLSA-N 2 2 333.476 1.974 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114479551 441663513 /nfs/dbraw/zinc/66/35/13/441663513.db2.gz WCFDQXDJYZIYPA-QGZVFWFLSA-N 2 2 333.476 1.974 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1OC ZINC000113516314 441613156 /nfs/dbraw/zinc/61/31/56/441613156.db2.gz CQXYAQXJAFUQJL-HNNXBMFYSA-N 2 2 349.475 1.546 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1OC ZINC000113516314 441613162 /nfs/dbraw/zinc/61/31/62/441613162.db2.gz CQXYAQXJAFUQJL-HNNXBMFYSA-N 2 2 349.475 1.546 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000114825224 441687342 /nfs/dbraw/zinc/68/73/42/441687342.db2.gz VXMYFMFBNMZAOH-WMZOPIPTSA-N 2 2 345.491 1.954 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000114825224 441687346 /nfs/dbraw/zinc/68/73/46/441687346.db2.gz VXMYFMFBNMZAOH-WMZOPIPTSA-N 2 2 345.491 1.954 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000041993886 441692107 /nfs/dbraw/zinc/69/21/07/441692107.db2.gz DXPPUDJEPPQLJF-CYBMUJFWSA-N 2 2 329.404 1.088 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)C[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000042243215 441718664 /nfs/dbraw/zinc/71/86/64/441718664.db2.gz SJNVBTMBJWYRRB-IAGOWNOFSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000042243215 441718670 /nfs/dbraw/zinc/71/86/70/441718670.db2.gz SJNVBTMBJWYRRB-IAGOWNOFSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2c[nH+]ccc2OC)C1 ZINC000076645393 441669736 /nfs/dbraw/zinc/66/97/36/441669736.db2.gz VODZXWPRLMKBKY-ZDUSSCGKSA-N 2 2 334.420 1.219 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739308 441774551 /nfs/dbraw/zinc/77/45/51/441774551.db2.gz CNGLPWGSCOUQDA-INIZCTEOSA-N 2 2 339.524 1.945 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739308 441774555 /nfs/dbraw/zinc/77/45/55/441774555.db2.gz CNGLPWGSCOUQDA-INIZCTEOSA-N 2 2 339.524 1.945 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077536604 441799391 /nfs/dbraw/zinc/79/93/91/441799391.db2.gz ZEGXVKARZFWMDU-HNNXBMFYSA-N 2 2 335.452 1.025 20 0 EDADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000092751145 441823932 /nfs/dbraw/zinc/82/39/32/441823932.db2.gz HVJRKOADOWUEJX-SJORKVTESA-N 2 2 347.503 1.984 20 0 EDADLP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000092740546 441824544 /nfs/dbraw/zinc/82/45/44/441824544.db2.gz HXVJNTGNFMTFGK-TZMCWYRMSA-N 2 2 327.494 1.748 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000043311554 441832839 /nfs/dbraw/zinc/83/28/39/441832839.db2.gz FPZNMVGVTBREMI-QGZVFWFLSA-N 2 2 343.431 1.256 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NC2CCN(CC[NH+](C)C)CC2)n1 ZINC000092890575 441836898 /nfs/dbraw/zinc/83/68/98/441836898.db2.gz QSIFLAHQYASXGJ-UHFFFAOYSA-N 2 2 329.452 1.409 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NC2CC[NH+](CCN(C)C)CC2)n1 ZINC000092890575 441836903 /nfs/dbraw/zinc/83/69/03/441836903.db2.gz QSIFLAHQYASXGJ-UHFFFAOYSA-N 2 2 329.452 1.409 20 0 EDADLP C[N@@H+](CC(=O)NCCc1c(F)cccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000118841928 441905228 /nfs/dbraw/zinc/90/52/28/441905228.db2.gz DFALMILDOQSCDN-CQSZACIVSA-N 2 2 339.430 1.897 20 0 EDADLP C[N@H+](CC(=O)NCCc1c(F)cccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000118841928 441905232 /nfs/dbraw/zinc/90/52/32/441905232.db2.gz DFALMILDOQSCDN-CQSZACIVSA-N 2 2 339.430 1.897 20 0 EDADLP C[NH+](CC(=O)NCCc1c(F)cccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841928 441905235 /nfs/dbraw/zinc/90/52/35/441905235.db2.gz DFALMILDOQSCDN-CQSZACIVSA-N 2 2 339.430 1.897 20 0 EDADLP C[NH+](CC(=O)NCCc1c(F)cccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841928 441905238 /nfs/dbraw/zinc/90/52/38/441905238.db2.gz DFALMILDOQSCDN-CQSZACIVSA-N 2 2 339.430 1.897 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000124276519 441913346 /nfs/dbraw/zinc/91/33/46/441913346.db2.gz WSDMGUYLZRTPAF-WBVHZDCISA-N 2 2 346.475 1.797 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@H](O)C3)CC2)c1 ZINC000093332287 441878282 /nfs/dbraw/zinc/87/82/82/441878282.db2.gz OTAXBJMLRIGJHT-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](O)C3)CC2)c1 ZINC000093332287 441878286 /nfs/dbraw/zinc/87/82/86/441878286.db2.gz OTAXBJMLRIGJHT-PKOBYXMFSA-N 2 2 345.487 1.342 20 0 EDADLP CC[C@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000124969209 441970673 /nfs/dbraw/zinc/97/06/73/441970673.db2.gz UWKCNCCRCWXWGA-GOSISDBHSA-N 2 2 349.475 1.354 20 0 EDADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000078868108 441979662 /nfs/dbraw/zinc/97/96/62/441979662.db2.gz QVTLNLSGWGVDAN-UHFFFAOYSA-N 2 2 331.460 1.442 20 0 EDADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000078868108 441979665 /nfs/dbraw/zinc/97/96/65/441979665.db2.gz QVTLNLSGWGVDAN-UHFFFAOYSA-N 2 2 331.460 1.442 20 0 EDADLP CC[NH+]1CCN(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000078390735 441927771 /nfs/dbraw/zinc/92/77/71/441927771.db2.gz QKVNKLYZCUVPRI-SFHVURJKSA-N 2 2 341.459 1.263 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000174741565 441961822 /nfs/dbraw/zinc/96/18/22/441961822.db2.gz DCFHILMASLASOL-QGZVFWFLSA-N 2 2 344.415 1.621 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000174741565 441961828 /nfs/dbraw/zinc/96/18/28/441961828.db2.gz DCFHILMASLASOL-QGZVFWFLSA-N 2 2 344.415 1.621 20 0 EDADLP C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000161676625 442023704 /nfs/dbraw/zinc/02/37/04/442023704.db2.gz SJBZNVXKDXTISZ-KKAKJJSRSA-N 2 2 339.505 1.104 20 0 EDADLP C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000161676625 442023708 /nfs/dbraw/zinc/02/37/08/442023708.db2.gz SJBZNVXKDXTISZ-KKAKJJSRSA-N 2 2 339.505 1.104 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000079461758 442050198 /nfs/dbraw/zinc/05/01/98/442050198.db2.gz TZXLBQJRNGFWFY-NJAFHUGGSA-N 2 2 345.487 1.768 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000079461758 442050205 /nfs/dbraw/zinc/05/02/05/442050205.db2.gz TZXLBQJRNGFWFY-NJAFHUGGSA-N 2 2 345.487 1.768 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000079461758 442050210 /nfs/dbraw/zinc/05/02/10/442050210.db2.gz TZXLBQJRNGFWFY-NJAFHUGGSA-N 2 2 345.487 1.768 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000079461758 442050217 /nfs/dbraw/zinc/05/02/17/442050217.db2.gz TZXLBQJRNGFWFY-NJAFHUGGSA-N 2 2 345.487 1.768 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@]2(C)CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000120525259 442089509 /nfs/dbraw/zinc/08/95/09/442089509.db2.gz DBSHGJQPEFYJFZ-SFHVURJKSA-N 3 2 336.524 1.443 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151801835 442122132 /nfs/dbraw/zinc/12/21/32/442122132.db2.gz FZYWRSGVMNCSAZ-QFBILLFUSA-N 2 2 347.503 1.642 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151801835 442122135 /nfs/dbraw/zinc/12/21/35/442122135.db2.gz FZYWRSGVMNCSAZ-QFBILLFUSA-N 2 2 347.503 1.642 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccco1 ZINC000126637480 442129360 /nfs/dbraw/zinc/12/93/60/442129360.db2.gz LASXIFDEHUGMFI-LSDHHAIUSA-N 2 2 343.431 1.855 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000127070273 442167345 /nfs/dbraw/zinc/16/73/45/442167345.db2.gz NPSDCDLNFALYGH-CVEARBPZSA-N 2 2 341.415 1.250 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000127070273 442167349 /nfs/dbraw/zinc/16/73/49/442167349.db2.gz NPSDCDLNFALYGH-CVEARBPZSA-N 2 2 341.415 1.250 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+]1CCOCC1 ZINC000121162807 442185541 /nfs/dbraw/zinc/18/55/41/442185541.db2.gz KYZLHCMRTBKFFG-ARFHVFGLSA-N 2 2 347.463 1.069 20 0 EDADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000121272063 442198261 /nfs/dbraw/zinc/19/82/61/442198261.db2.gz FSUASZBIGIVIIW-INIZCTEOSA-N 2 2 346.475 1.500 20 0 EDADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000121272063 442198264 /nfs/dbraw/zinc/19/82/64/442198264.db2.gz FSUASZBIGIVIIW-INIZCTEOSA-N 2 2 346.475 1.500 20 0 EDADLP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000164777568 442202576 /nfs/dbraw/zinc/20/25/76/442202576.db2.gz NVGYYISXLNMMNI-CVEARBPZSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000163234367 442152264 /nfs/dbraw/zinc/15/22/64/442152264.db2.gz KJFSDQONNBIULQ-HNNXBMFYSA-N 2 2 344.459 1.238 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000163337405 442159667 /nfs/dbraw/zinc/15/96/67/442159667.db2.gz SFXNJZNUEZXSMV-IRXDYDNUSA-N 2 2 330.476 1.408 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000163337405 442159672 /nfs/dbraw/zinc/15/96/72/442159672.db2.gz SFXNJZNUEZXSMV-IRXDYDNUSA-N 2 2 330.476 1.408 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000168179212 442224020 /nfs/dbraw/zinc/22/40/20/442224020.db2.gz ZVFKXVBTHXBDCN-OFQRWUPVSA-N 2 2 339.505 1.953 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000128824100 442289782 /nfs/dbraw/zinc/28/97/82/442289782.db2.gz ANFOUJVHZCZOHU-MRXNPFEDSA-N 2 2 346.475 1.525 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC000177136992 442303441 /nfs/dbraw/zinc/30/34/41/442303441.db2.gz RJLMVXLTZQCIPW-UHFFFAOYSA-N 2 2 347.488 1.894 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2OCCc3ccccc32)CC1 ZINC000177140639 442303906 /nfs/dbraw/zinc/30/39/06/442303906.db2.gz PQYYSZGQJDTKHD-IBGZPJMESA-N 2 2 345.487 1.833 20 0 EDADLP CN(C)C(=O)c1cccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177140727 442304114 /nfs/dbraw/zinc/30/41/14/442304114.db2.gz CPYFOGWDWFLAJO-UHFFFAOYSA-N 2 2 346.475 1.144 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C[C@H](C)[NH2+]1 ZINC000154162760 442324175 /nfs/dbraw/zinc/32/41/75/442324175.db2.gz HMLPHTHKTJXHMO-MPGHIAIKSA-N 3 2 341.459 1.010 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171371488 442343580 /nfs/dbraw/zinc/34/35/80/442343580.db2.gz BKINLQFDMJZAPI-UHFFFAOYSA-N 2 2 335.452 1.340 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000171371488 442343582 /nfs/dbraw/zinc/34/35/82/442343582.db2.gz BKINLQFDMJZAPI-UHFFFAOYSA-N 2 2 335.452 1.340 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(C)c2)CC1 ZINC000171392652 442345256 /nfs/dbraw/zinc/34/52/56/442345256.db2.gz DCDBGIBMCWIECA-INIZCTEOSA-N 2 2 333.476 1.988 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(C)c2)CC1 ZINC000171392652 442345259 /nfs/dbraw/zinc/34/52/59/442345259.db2.gz DCDBGIBMCWIECA-INIZCTEOSA-N 2 2 333.476 1.988 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)on1 ZINC000177491062 442349520 /nfs/dbraw/zinc/34/95/20/442349520.db2.gz CIAUKFVCENVPMB-CQSZACIVSA-N 2 2 338.452 1.789 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000177725588 442376835 /nfs/dbraw/zinc/37/68/35/442376835.db2.gz CRBBXRGPJHGBCR-IRXDYDNUSA-N 2 2 336.524 1.393 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCN(C)CC1 ZINC000177725588 442376837 /nfs/dbraw/zinc/37/68/37/442376837.db2.gz CRBBXRGPJHGBCR-IRXDYDNUSA-N 2 2 336.524 1.393 20 0 EDADLP CO[C@]1(C)C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000155163529 442378900 /nfs/dbraw/zinc/37/89/00/442378900.db2.gz WYYPBNXEAVVROP-PKOBYXMFSA-N 2 2 339.524 1.576 20 0 EDADLP CO[C@]1(C)C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000155163529 442378902 /nfs/dbraw/zinc/37/89/02/442378902.db2.gz WYYPBNXEAVVROP-PKOBYXMFSA-N 2 2 339.524 1.576 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000177776868 442382828 /nfs/dbraw/zinc/38/28/28/442382828.db2.gz BFSPGPMMOBFAOP-MRXNPFEDSA-N 2 2 343.431 1.341 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000155348365 442389716 /nfs/dbraw/zinc/38/97/16/442389716.db2.gz ADNZMJCQTQBQKW-HUUCEWRRSA-N 2 2 325.497 1.865 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000155348365 442389717 /nfs/dbraw/zinc/38/97/17/442389717.db2.gz ADNZMJCQTQBQKW-HUUCEWRRSA-N 2 2 325.497 1.865 20 0 EDADLP CS[C@H](C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000155435720 442398200 /nfs/dbraw/zinc/39/82/00/442398200.db2.gz BXFQFRZYQSFNRY-CYBMUJFWSA-N 2 2 328.526 1.596 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000132769062 442399986 /nfs/dbraw/zinc/39/99/86/442399986.db2.gz YQEIFWNDYMNYDZ-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000132769062 442399989 /nfs/dbraw/zinc/39/99/89/442399989.db2.gz YQEIFWNDYMNYDZ-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000132769062 442399992 /nfs/dbraw/zinc/39/99/92/442399992.db2.gz YQEIFWNDYMNYDZ-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000132769062 442399995 /nfs/dbraw/zinc/39/99/95/442399995.db2.gz YQEIFWNDYMNYDZ-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCOCC3(C)C)CC[C@@H]21 ZINC000178078784 442406166 /nfs/dbraw/zinc/40/61/66/442406166.db2.gz BDNHGISRAPFIFG-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCOCC3(C)C)CC[C@@H]21 ZINC000178078784 442406168 /nfs/dbraw/zinc/40/61/68/442406168.db2.gz BDNHGISRAPFIFG-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)NCC[N@@H+]3CCOCC3(C)C)CC[C@@H]21 ZINC000178078784 442406171 /nfs/dbraw/zinc/40/61/71/442406171.db2.gz BDNHGISRAPFIFG-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)NCC[N@H+]3CCOCC3(C)C)CC[C@@H]21 ZINC000178078784 442406172 /nfs/dbraw/zinc/40/61/72/442406172.db2.gz BDNHGISRAPFIFG-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000155634551 442414880 /nfs/dbraw/zinc/41/48/80/442414880.db2.gz BHWVOOHVAZKDBP-NXHRZFHOSA-N 2 2 333.476 1.858 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000155778849 442426519 /nfs/dbraw/zinc/42/65/19/442426519.db2.gz NEMOJZIJYVGSAM-GOEBONIOSA-N 2 2 342.443 1.873 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000133628373 442426972 /nfs/dbraw/zinc/42/69/72/442426972.db2.gz YXTUEGHYLOQVKJ-KURKYZTESA-N 3 2 346.523 1.307 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000133628373 442426974 /nfs/dbraw/zinc/42/69/74/442426974.db2.gz YXTUEGHYLOQVKJ-KURKYZTESA-N 3 2 346.523 1.307 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(O)cc2Cl)CC1 ZINC000156570831 442496961 /nfs/dbraw/zinc/49/69/61/442496961.db2.gz QVEBMRSGZGPAAS-UHFFFAOYSA-N 2 2 339.867 1.730 20 0 EDADLP CC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)[NH+](C)C ZINC000157001086 442541002 /nfs/dbraw/zinc/54/10/02/442541002.db2.gz XYXCVFANLCHAFE-QZTJIDSGSA-N 2 2 333.476 1.825 20 0 EDADLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000134740692 442518298 /nfs/dbraw/zinc/51/82/98/442518298.db2.gz JWABMYUPQRLQBJ-CQSZACIVSA-N 2 2 336.480 1.656 20 0 EDADLP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000134740692 442518301 /nfs/dbraw/zinc/51/83/01/442518301.db2.gz JWABMYUPQRLQBJ-CQSZACIVSA-N 2 2 336.480 1.656 20 0 EDADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000172729332 442527484 /nfs/dbraw/zinc/52/74/84/442527484.db2.gz YPOSLSGEPIAYIY-KRWDZBQOSA-N 2 2 349.500 1.813 20 0 EDADLP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000172729332 442527486 /nfs/dbraw/zinc/52/74/86/442527486.db2.gz YPOSLSGEPIAYIY-KRWDZBQOSA-N 2 2 349.500 1.813 20 0 EDADLP COCCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172750717 442533550 /nfs/dbraw/zinc/53/35/50/442533550.db2.gz JSFZRYKAZNIKFT-UHFFFAOYSA-N 2 2 325.497 1.870 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000186626996 442575936 /nfs/dbraw/zinc/57/59/36/442575936.db2.gz VBKHHQLOCZDJCB-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@]34CCOC4=O)c2cc1C ZINC000186666617 442586964 /nfs/dbraw/zinc/58/69/64/442586964.db2.gz HVCMPGYUBVDUBK-BEFAXECRSA-N 2 2 343.427 1.796 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@]34CCOC4=O)c2cc1C ZINC000186666617 442586967 /nfs/dbraw/zinc/58/69/67/442586967.db2.gz HVCMPGYUBVDUBK-BEFAXECRSA-N 2 2 343.427 1.796 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000186578442 442564827 /nfs/dbraw/zinc/56/48/27/442564827.db2.gz XLUATZVLWAJYLK-UHFFFAOYSA-N 2 2 329.485 1.726 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000186578442 442564831 /nfs/dbraw/zinc/56/48/31/442564831.db2.gz XLUATZVLWAJYLK-UHFFFAOYSA-N 2 2 329.485 1.726 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000158087197 442644713 /nfs/dbraw/zinc/64/47/13/442644713.db2.gz AASZCDBTZCLKSN-SFHVURJKSA-N 2 2 347.459 1.312 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000158087197 442644717 /nfs/dbraw/zinc/64/47/17/442644717.db2.gz AASZCDBTZCLKSN-SFHVURJKSA-N 2 2 347.459 1.312 20 0 EDADLP CC(C)(CNC(=O)C[NH2+][C@@H](c1ccccc1)C1CC1)[NH+]1CCOCC1 ZINC000192510823 442655431 /nfs/dbraw/zinc/65/54/31/442655431.db2.gz DHULRHNGNBIUIG-IBGZPJMESA-N 2 2 345.487 1.954 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@](C)([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000192513742 442655736 /nfs/dbraw/zinc/65/57/36/442655736.db2.gz LJVVFCFTQCNGLC-SPYBWZPUSA-N 2 2 333.476 1.865 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@](C)([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000192513713 442656042 /nfs/dbraw/zinc/65/60/42/442656042.db2.gz LJVVFCFTQCNGLC-ZRGWGRIASA-N 2 2 333.476 1.865 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@](C)([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000192513713 442656046 /nfs/dbraw/zinc/65/60/46/442656046.db2.gz LJVVFCFTQCNGLC-ZRGWGRIASA-N 2 2 333.476 1.865 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[NH+](C[C@@H](C)O)CC3)CC2)[nH+]c1 ZINC000186788906 442611426 /nfs/dbraw/zinc/61/14/26/442611426.db2.gz AZCAYJWLSCOVFW-MRXNPFEDSA-N 2 2 346.475 1.131 20 0 EDADLP Cc1ncsc1CN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179280306 442612434 /nfs/dbraw/zinc/61/24/34/442612434.db2.gz RRVMPJPWYMOEAF-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000179290842 442614640 /nfs/dbraw/zinc/61/46/40/442614640.db2.gz RIAAICJAMOFSIQ-UHFFFAOYSA-N 2 2 329.448 1.564 20 0 EDADLP CC(C)CC[C@@](C)(O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179319330 442620224 /nfs/dbraw/zinc/62/02/24/442620224.db2.gz VKKRAJVCZYHCRE-GOSISDBHSA-N 2 2 342.528 1.499 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000181022575 442675197 /nfs/dbraw/zinc/67/51/97/442675197.db2.gz QOALFWNVVMZNLD-HUUCEWRRSA-N 2 2 337.489 1.722 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193587416 442756744 /nfs/dbraw/zinc/75/67/44/442756744.db2.gz FCCURBOORIHJMF-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000182155395 442740554 /nfs/dbraw/zinc/74/05/54/442740554.db2.gz LETBHVFBNIDSFU-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000182155395 442740556 /nfs/dbraw/zinc/74/05/56/442740556.db2.gz LETBHVFBNIDSFU-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP C[C@H](C(=O)OC(C)(C)C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182609155 442794270 /nfs/dbraw/zinc/79/42/70/442794270.db2.gz RWSBAEDFGUSNER-VPSFDDGASA-N 2 2 337.508 1.959 20 0 EDADLP C[C@H](C(=O)OC(C)(C)C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182609155 442794279 /nfs/dbraw/zinc/79/42/79/442794279.db2.gz RWSBAEDFGUSNER-VPSFDDGASA-N 2 2 337.508 1.959 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000188756191 442806019 /nfs/dbraw/zinc/80/60/19/442806019.db2.gz LTDLECLIVPGAFN-OAHLLOKOSA-N 2 2 345.491 1.784 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193648606 442763554 /nfs/dbraw/zinc/76/35/54/442763554.db2.gz BKCJWFIKSPYDRN-AEGPPILISA-N 2 2 330.432 1.465 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193648606 442763556 /nfs/dbraw/zinc/76/35/56/442763556.db2.gz BKCJWFIKSPYDRN-AEGPPILISA-N 2 2 330.432 1.465 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193648606 442763558 /nfs/dbraw/zinc/76/35/58/442763558.db2.gz BKCJWFIKSPYDRN-AEGPPILISA-N 2 2 330.432 1.465 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193648606 442763559 /nfs/dbraw/zinc/76/35/59/442763559.db2.gz BKCJWFIKSPYDRN-AEGPPILISA-N 2 2 330.432 1.465 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCOC[C@@]34CCOC4)c2cc1C ZINC000193736641 442776459 /nfs/dbraw/zinc/77/64/59/442776459.db2.gz QRWBMPXMFFQZES-LPHOPBHVSA-N 2 2 345.443 1.505 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCOC[C@@]34CCOC4)c2cc1C ZINC000193736641 442776461 /nfs/dbraw/zinc/77/64/61/442776461.db2.gz QRWBMPXMFFQZES-LPHOPBHVSA-N 2 2 345.443 1.505 20 0 EDADLP CCO[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000625501110 450396386 /nfs/dbraw/zinc/39/63/86/450396386.db2.gz CQDYOSRWJFENKZ-DLBZAZTESA-N 2 2 325.497 1.674 20 0 EDADLP CCO[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000625501110 450396390 /nfs/dbraw/zinc/39/63/90/450396390.db2.gz CQDYOSRWJFENKZ-DLBZAZTESA-N 2 2 325.497 1.674 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000182746078 442818619 /nfs/dbraw/zinc/81/86/19/442818619.db2.gz DIWIXZCADMXSDG-HNNXBMFYSA-N 2 2 336.436 1.007 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000182746078 442818621 /nfs/dbraw/zinc/81/86/21/442818621.db2.gz DIWIXZCADMXSDG-HNNXBMFYSA-N 2 2 336.436 1.007 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000182808766 442828737 /nfs/dbraw/zinc/82/87/37/442828737.db2.gz GQPSXCIBGAXVDV-AEFFLSMTSA-N 2 2 338.517 1.964 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000182808766 442828741 /nfs/dbraw/zinc/82/87/41/442828741.db2.gz GQPSXCIBGAXVDV-AEFFLSMTSA-N 2 2 338.517 1.964 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)[nH+]c2c1 ZINC000268094923 442845797 /nfs/dbraw/zinc/84/57/97/442845797.db2.gz COOKLXVXNQMOJW-CJNGLKHVSA-N 2 2 327.432 1.925 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)[nH+]c2c1 ZINC000268094923 442845799 /nfs/dbraw/zinc/84/57/99/442845799.db2.gz COOKLXVXNQMOJW-CJNGLKHVSA-N 2 2 327.432 1.925 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000268126006 442858956 /nfs/dbraw/zinc/85/89/56/442858956.db2.gz NDPOFMWAYIWNJC-PBHICJAKSA-N 2 2 343.475 1.964 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000268126006 442858960 /nfs/dbraw/zinc/85/89/60/442858960.db2.gz NDPOFMWAYIWNJC-PBHICJAKSA-N 2 2 343.475 1.964 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2=O)n1 ZINC000248214724 442885827 /nfs/dbraw/zinc/88/58/27/442885827.db2.gz ZJXRIHQCZXJPFP-OWCLPIDISA-N 2 2 331.464 1.332 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2=O)n1 ZINC000248214724 442885833 /nfs/dbraw/zinc/88/58/33/442885833.db2.gz ZJXRIHQCZXJPFP-OWCLPIDISA-N 2 2 331.464 1.332 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)n1 ZINC000248214724 442885835 /nfs/dbraw/zinc/88/58/35/442885835.db2.gz ZJXRIHQCZXJPFP-OWCLPIDISA-N 2 2 331.464 1.332 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2=O)n1 ZINC000248214724 442885840 /nfs/dbraw/zinc/88/58/40/442885840.db2.gz ZJXRIHQCZXJPFP-OWCLPIDISA-N 2 2 331.464 1.332 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C[C@H]1[NH+](C)C ZINC000268326493 442948847 /nfs/dbraw/zinc/94/88/47/442948847.db2.gz DGBSBXSKZSVDNC-GOEBONIOSA-N 2 2 347.463 1.010 20 0 EDADLP COC[C@@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000183465917 442933259 /nfs/dbraw/zinc/93/32/59/442933259.db2.gz GJIHUQAENAGGGR-GDBMZVCRSA-N 2 2 332.448 1.133 20 0 EDADLP Cc1cc(N2CC[NH+](CCN3CCNC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000268472623 443001286 /nfs/dbraw/zinc/00/12/86/443001286.db2.gz JWUJFWBHNNOFTG-UHFFFAOYSA-N 2 2 332.452 1.056 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000249737112 443003266 /nfs/dbraw/zinc/00/32/66/443003266.db2.gz FTGQISDFVXZJRQ-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP CC(=O)N1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@H](C)C1 ZINC000268620492 443054345 /nfs/dbraw/zinc/05/43/45/443054345.db2.gz ADLSUEPCYWCEIE-WBVHZDCISA-N 2 2 344.459 1.567 20 0 EDADLP CC(=O)N1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@H](C)C1 ZINC000268620492 443054347 /nfs/dbraw/zinc/05/43/47/443054347.db2.gz ADLSUEPCYWCEIE-WBVHZDCISA-N 2 2 344.459 1.567 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[NH+]1CCOCC1 ZINC000236664457 443142813 /nfs/dbraw/zinc/14/28/13/443142813.db2.gz VDKHJEYUPNQTKR-ZWKOTPCHSA-N 2 2 331.460 1.346 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000298628959 318835099 /nfs/dbraw/zinc/83/50/99/318835099.db2.gz JRKARFPUGVGYQC-HUUCEWRRSA-N 2 2 347.463 1.406 20 0 EDADLP CC(C)OCCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261738773 443167007 /nfs/dbraw/zinc/16/70/07/443167007.db2.gz UIMCZLDXZQIKQN-HNNXBMFYSA-N 2 2 334.464 1.706 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268943042 443154411 /nfs/dbraw/zinc/15/44/11/443154411.db2.gz KSTIONYJCWHEME-UHFFFAOYSA-N 2 2 345.422 1.858 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]C1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000321281187 318940658 /nfs/dbraw/zinc/94/06/58/318940658.db2.gz WKBGGWKLVCZZMF-HUUCEWRRSA-N 2 2 337.489 1.627 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@H]1CCCOC1 ZINC000245497694 443232052 /nfs/dbraw/zinc/23/20/52/443232052.db2.gz UQBRDOVALIFNRJ-DLBZAZTESA-N 2 2 346.475 1.477 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245497694 443232055 /nfs/dbraw/zinc/23/20/55/443232055.db2.gz UQBRDOVALIFNRJ-DLBZAZTESA-N 2 2 346.475 1.477 20 0 EDADLP CO[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000269226023 443239338 /nfs/dbraw/zinc/23/93/38/443239338.db2.gz QREGZMBSFPTXFX-IRXDYDNUSA-N 2 2 328.416 1.049 20 0 EDADLP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000269224790 443239991 /nfs/dbraw/zinc/23/99/91/443239991.db2.gz COJPVIVJDNJJPO-INIZCTEOSA-N 2 2 337.851 1.363 20 0 EDADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(O)cc(F)c3)ccn2)CC1 ZINC000185469649 443205001 /nfs/dbraw/zinc/20/50/01/443205001.db2.gz XPTJGXQQTLSEKN-UHFFFAOYSA-N 2 2 330.407 1.968 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000360059856 319116684 /nfs/dbraw/zinc/11/66/84/319116684.db2.gz QRJNHAGLHMFEJA-SJORKVTESA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000360059856 319116686 /nfs/dbraw/zinc/11/66/86/319116686.db2.gz QRJNHAGLHMFEJA-SJORKVTESA-N 2 2 325.497 1.188 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000383719861 319126029 /nfs/dbraw/zinc/12/60/29/319126029.db2.gz YDTNHHHEEGFYDR-AABGKKOBSA-N 3 2 331.504 1.753 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000383719861 319126032 /nfs/dbraw/zinc/12/60/32/319126032.db2.gz YDTNHHHEEGFYDR-AABGKKOBSA-N 3 2 331.504 1.753 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000383719861 319126034 /nfs/dbraw/zinc/12/60/34/319126034.db2.gz YDTNHHHEEGFYDR-AABGKKOBSA-N 3 2 331.504 1.753 20 0 EDADLP C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415686555 319363642 /nfs/dbraw/zinc/36/36/42/319363642.db2.gz HYLRBYHKGIYTQG-QGZVFWFLSA-N 2 2 327.388 1.008 20 0 EDADLP C[C@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000266863702 443270974 /nfs/dbraw/zinc/27/09/74/443270974.db2.gz BKVFGPYYUSRWEQ-MAUKXSAKSA-N 2 2 331.460 1.541 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266873945 443275268 /nfs/dbraw/zinc/27/52/68/443275268.db2.gz NSXRFBCRAXYRFW-ZIAGYGMSSA-N 2 2 336.461 1.873 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)c1cccs1 ZINC000416438475 319425431 /nfs/dbraw/zinc/42/54/31/319425431.db2.gz OPMXSGKQSDTXFQ-RYUDHWBXSA-N 2 2 346.447 1.895 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266834790 443261293 /nfs/dbraw/zinc/26/12/93/443261293.db2.gz LTYHKSFXAYVPPM-QGZVFWFLSA-N 2 2 345.487 1.933 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266834790 443261298 /nfs/dbraw/zinc/26/12/98/443261298.db2.gz LTYHKSFXAYVPPM-QGZVFWFLSA-N 2 2 345.487 1.933 20 0 EDADLP C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264366913 443264965 /nfs/dbraw/zinc/26/49/65/443264965.db2.gz AFDZBFQADXMJEC-SJORKVTESA-N 2 2 346.475 1.356 20 0 EDADLP C[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264366913 443264970 /nfs/dbraw/zinc/26/49/70/443264970.db2.gz AFDZBFQADXMJEC-SJORKVTESA-N 2 2 346.475 1.356 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416888025 319469586 /nfs/dbraw/zinc/46/95/86/319469586.db2.gz PKOOEBKXNWUVJA-SJORKVTESA-N 2 2 334.464 1.405 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000416936683 319478698 /nfs/dbraw/zinc/47/86/98/319478698.db2.gz IBTMTIOXWOLTGZ-GOEBONIOSA-N 2 2 331.464 1.999 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418420754 319501011 /nfs/dbraw/zinc/50/10/11/319501011.db2.gz ZQCPUMMDLQANPD-NUJGCVRESA-N 2 2 345.491 1.987 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)CCn1cc[nH+]c1 ZINC000267145616 443356601 /nfs/dbraw/zinc/35/66/01/443356601.db2.gz VLBHLSIQLPMCMF-OAHLLOKOSA-N 2 2 348.472 1.867 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420382252 319612869 /nfs/dbraw/zinc/61/28/69/319612869.db2.gz ZSLZAUNOGWZCRF-GIPNMCIBSA-N 2 2 325.434 1.449 20 0 EDADLP CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267383091 443438385 /nfs/dbraw/zinc/43/83/85/443438385.db2.gz NBPXAAYFRSSOSE-KRWDZBQOSA-N 2 2 348.447 1.502 20 0 EDADLP CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267383091 443438389 /nfs/dbraw/zinc/43/83/89/443438389.db2.gz NBPXAAYFRSSOSE-KRWDZBQOSA-N 2 2 348.447 1.502 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000278678350 443399711 /nfs/dbraw/zinc/39/97/11/443399711.db2.gz ICJWITKMUCMJLJ-INIZCTEOSA-N 2 2 328.416 1.144 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000278678350 443399716 /nfs/dbraw/zinc/39/97/16/443399716.db2.gz ICJWITKMUCMJLJ-INIZCTEOSA-N 2 2 328.416 1.144 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000278678350 443399720 /nfs/dbraw/zinc/39/97/20/443399720.db2.gz ICJWITKMUCMJLJ-INIZCTEOSA-N 2 2 328.416 1.144 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000278678350 443399723 /nfs/dbraw/zinc/39/97/23/443399723.db2.gz ICJWITKMUCMJLJ-INIZCTEOSA-N 2 2 328.416 1.144 20 0 EDADLP COC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420902970 319656908 /nfs/dbraw/zinc/65/69/08/319656908.db2.gz NRQNVFANIZCGBU-UHFFFAOYSA-N 2 2 332.444 1.904 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000267270586 443400689 /nfs/dbraw/zinc/40/06/89/443400689.db2.gz PYOUFPQSYDNIFY-UHFFFAOYSA-N 2 2 329.444 1.605 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)c1ccco1 ZINC000278984707 443481273 /nfs/dbraw/zinc/48/12/73/443481273.db2.gz YVTDPNJWNHXVQI-HNNXBMFYSA-N 2 2 337.464 1.890 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)OC ZINC000267454542 443463407 /nfs/dbraw/zinc/46/34/07/443463407.db2.gz SLLGMACKBHBFAT-GZBFAFLISA-N 2 2 336.436 1.293 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)OC ZINC000267454542 443463409 /nfs/dbraw/zinc/46/34/09/443463409.db2.gz SLLGMACKBHBFAT-GZBFAFLISA-N 2 2 336.436 1.293 20 0 EDADLP Cn1cc(I)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423168491 319754795 /nfs/dbraw/zinc/75/47/95/319754795.db2.gz YCMFECAHFZJPSA-SCZZXKLOSA-N 2 2 334.205 1.242 20 0 EDADLP CC(C)(C(N)=O)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271431929 443504422 /nfs/dbraw/zinc/50/44/22/443504422.db2.gz PYSJSYAKKWDBBI-KRWDZBQOSA-N 2 2 330.476 1.142 20 0 EDADLP CC(C)(C(N)=O)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271431929 443504427 /nfs/dbraw/zinc/50/44/27/443504427.db2.gz PYSJSYAKKWDBBI-KRWDZBQOSA-N 2 2 330.476 1.142 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000283056394 443509883 /nfs/dbraw/zinc/50/98/83/443509883.db2.gz JGJLMPGFHWVESQ-UHFFFAOYSA-N 2 2 344.434 1.829 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000283056394 443509886 /nfs/dbraw/zinc/50/98/86/443509886.db2.gz JGJLMPGFHWVESQ-UHFFFAOYSA-N 2 2 344.434 1.829 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)cn21 ZINC000423405773 319772147 /nfs/dbraw/zinc/77/21/47/319772147.db2.gz ZQNSRSCDJLSQLH-ZDUSSCGKSA-N 2 2 338.415 1.763 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000279032497 443495800 /nfs/dbraw/zinc/49/58/00/443495800.db2.gz ARWVVXDYQPZVLV-DLBZAZTESA-N 2 2 333.476 1.686 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000279032497 443495805 /nfs/dbraw/zinc/49/58/05/443495805.db2.gz ARWVVXDYQPZVLV-DLBZAZTESA-N 2 2 333.476 1.686 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@H]2C1 ZINC000272423640 443620757 /nfs/dbraw/zinc/62/07/57/443620757.db2.gz IBFDMRFPTQKXBQ-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)[C@H]2C1 ZINC000272423640 443620761 /nfs/dbraw/zinc/62/07/61/443620761.db2.gz IBFDMRFPTQKXBQ-SJORKVTESA-N 2 2 343.475 1.917 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)CC1 ZINC000441046282 320086768 /nfs/dbraw/zinc/08/67/68/320086768.db2.gz MTXYDJPEYFTZGQ-INIZCTEOSA-N 2 2 338.540 1.780 20 0 EDADLP OC1CC[NH+](CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449645273 320196677 /nfs/dbraw/zinc/19/66/77/320196677.db2.gz JDYWXLLDYQHDJD-CEWLAPEOSA-N 2 2 343.515 1.943 20 0 EDADLP OC1CC[NH+](CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449645273 320196679 /nfs/dbraw/zinc/19/66/79/320196679.db2.gz JDYWXLLDYQHDJD-CEWLAPEOSA-N 2 2 343.515 1.943 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000456981437 320315816 /nfs/dbraw/zinc/31/58/16/320315816.db2.gz FORDIYMIEUIIIJ-SFHVURJKSA-N 2 2 330.476 1.187 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000456981437 320315817 /nfs/dbraw/zinc/31/58/17/320315817.db2.gz FORDIYMIEUIIIJ-SFHVURJKSA-N 2 2 330.476 1.187 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000457711844 320332841 /nfs/dbraw/zinc/33/28/41/320332841.db2.gz PUQUXPGJNQZVEL-UKRRQHHQSA-N 2 2 340.493 1.059 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000457711844 320332842 /nfs/dbraw/zinc/33/28/42/320332842.db2.gz PUQUXPGJNQZVEL-UKRRQHHQSA-N 2 2 340.493 1.059 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457781337 320335949 /nfs/dbraw/zinc/33/59/49/320335949.db2.gz UKKCOWYZWPWXOD-HNNXBMFYSA-N 2 2 335.452 1.030 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000457781337 320335950 /nfs/dbraw/zinc/33/59/50/320335950.db2.gz UKKCOWYZWPWXOD-HNNXBMFYSA-N 2 2 335.452 1.030 20 0 EDADLP Cc1ccc(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)nc1 ZINC000458599631 320337953 /nfs/dbraw/zinc/33/79/53/320337953.db2.gz QPDPNIGEDQRMCI-UHFFFAOYSA-N 2 2 333.480 1.258 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)NCC[N@H+]3CC=CCC3)cc2)CC1 ZINC000280257304 443684710 /nfs/dbraw/zinc/68/47/10/443684710.db2.gz OBRRDBXEYNZRKH-UHFFFAOYSA-N 2 2 342.487 1.426 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)NCC[N@@H+]3CC=CCC3)cc2)CC1 ZINC000280257304 443684714 /nfs/dbraw/zinc/68/47/14/443684714.db2.gz OBRRDBXEYNZRKH-UHFFFAOYSA-N 2 2 342.487 1.426 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857787 320388696 /nfs/dbraw/zinc/38/86/96/320388696.db2.gz AIXCDMMWZGPUJN-JDZPGQNUSA-N 2 2 342.447 1.698 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857787 320388697 /nfs/dbraw/zinc/38/86/97/320388697.db2.gz AIXCDMMWZGPUJN-JDZPGQNUSA-N 2 2 342.447 1.698 20 0 EDADLP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000493681570 320397218 /nfs/dbraw/zinc/39/72/18/320397218.db2.gz ZMZRAASJDURCPO-NPQIQWPPSA-N 2 2 330.388 1.363 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000283813516 443728873 /nfs/dbraw/zinc/72/88/73/443728873.db2.gz JFENRUIFAQTILL-CABCVRRESA-N 2 2 349.479 1.015 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000283813516 443728877 /nfs/dbraw/zinc/72/88/77/443728877.db2.gz JFENRUIFAQTILL-CABCVRRESA-N 2 2 349.479 1.015 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280873420 443764652 /nfs/dbraw/zinc/76/46/52/443764652.db2.gz OINRFMICJVLLIR-QWFCFKBJSA-N 2 2 343.471 1.393 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280873420 443764653 /nfs/dbraw/zinc/76/46/53/443764653.db2.gz OINRFMICJVLLIR-QWFCFKBJSA-N 2 2 343.471 1.393 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000528759681 320562459 /nfs/dbraw/zinc/56/24/59/320562459.db2.gz ZLWISXVADBHGNA-GGXPGOJBSA-N 2 2 346.475 1.522 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000292106014 443777217 /nfs/dbraw/zinc/77/72/17/443777217.db2.gz VWWSRDYWIRKTBE-UHFFFAOYSA-N 2 2 345.422 1.977 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000292106014 443777223 /nfs/dbraw/zinc/77/72/23/443777223.db2.gz VWWSRDYWIRKTBE-UHFFFAOYSA-N 2 2 345.422 1.977 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000285049087 443836719 /nfs/dbraw/zinc/83/67/19/443836719.db2.gz KYMIPTFJSMVAED-NVXWUHKLSA-N 2 2 334.464 1.309 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000288337090 443848792 /nfs/dbraw/zinc/84/87/92/443848792.db2.gz YLNVDFPRNYSBOZ-GXTWGEPZSA-N 2 2 332.404 1.114 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000530915104 320643515 /nfs/dbraw/zinc/64/35/15/320643515.db2.gz PAYBVGVWNUTWCA-ZIAGYGMSSA-N 2 2 329.448 1.163 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000298740261 443855029 /nfs/dbraw/zinc/85/50/29/443855029.db2.gz UAMLKKHJIWWYPV-MRXNPFEDSA-N 2 2 334.464 1.981 20 0 EDADLP CN(Cc1cccc(O)c1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000534718722 320707139 /nfs/dbraw/zinc/70/71/39/320707139.db2.gz VXZSKDKZHVBOHF-UHFFFAOYSA-N 2 2 334.464 1.560 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000537587876 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20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000277624565 444013715 /nfs/dbraw/zinc/01/37/15/444013715.db2.gz WPWBYEDXJWJHHT-NVXWUHKLSA-N 2 2 343.475 1.976 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281878855 444029956 /nfs/dbraw/zinc/02/99/56/444029956.db2.gz AFHXSXVULLPJAP-ZIAGYGMSSA-N 2 2 348.447 1.077 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281878855 444029961 /nfs/dbraw/zinc/02/99/61/444029961.db2.gz AFHXSXVULLPJAP-ZIAGYGMSSA-N 2 2 348.447 1.077 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557374177 321003341 /nfs/dbraw/zinc/00/33/41/321003341.db2.gz IASXNGIGTFQUTE-CQSZACIVSA-N 2 2 343.431 1.463 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557374177 321003342 /nfs/dbraw/zinc/00/33/42/321003342.db2.gz IASXNGIGTFQUTE-CQSZACIVSA-N 2 2 343.431 1.463 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000560050990 321018123 /nfs/dbraw/zinc/01/81/23/321018123.db2.gz BNECQCGXSWSFCF-MRXNPFEDSA-N 2 2 329.444 1.993 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000560050990 321018125 /nfs/dbraw/zinc/01/81/25/321018125.db2.gz BNECQCGXSWSFCF-MRXNPFEDSA-N 2 2 329.444 1.993 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)[nH+]1 ZINC000560332573 321020615 /nfs/dbraw/zinc/02/06/15/321020615.db2.gz SVPVUCGYFOSJJU-CZUORRHYSA-N 2 2 328.464 1.729 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000560984059 321030242 /nfs/dbraw/zinc/03/02/42/321030242.db2.gz MFVXRACSCGOIRV-HNNXBMFYSA-N 2 2 328.420 1.194 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC[NH2+]1 ZINC000561145331 321035013 /nfs/dbraw/zinc/03/50/13/321035013.db2.gz GBAZFMIMTJNXMI-KBAYOESNSA-N 2 2 346.475 1.500 20 0 EDADLP CC1(C)COC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000562738051 321074842 /nfs/dbraw/zinc/07/48/42/321074842.db2.gz KQLJEGHHDJZUJL-KRWDZBQOSA-N 2 2 347.459 1.472 20 0 EDADLP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000562958684 321083788 /nfs/dbraw/zinc/08/37/88/321083788.db2.gz PGOBPCPICDYHKL-BXUZGUMPSA-N 2 2 331.869 1.348 20 0 EDADLP C[C@H](CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)n1cc[nH+]c1 ZINC000563222134 321101668 /nfs/dbraw/zinc/10/16/68/321101668.db2.gz KDAWENBARMEQCX-HUUCEWRRSA-N 2 2 343.431 1.771 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000563370385 321106276 /nfs/dbraw/zinc/10/62/76/321106276.db2.gz SHJPLVSIYVJRTI-GOSISDBHSA-N 2 2 341.459 1.574 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000563370385 321106278 /nfs/dbraw/zinc/10/62/78/321106278.db2.gz SHJPLVSIYVJRTI-GOSISDBHSA-N 2 2 341.459 1.574 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000564386093 321128445 /nfs/dbraw/zinc/12/84/45/321128445.db2.gz ZEGLHAPUSBQIMD-IAGOWNOFSA-N 2 2 332.423 1.693 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)[C@H](c2ccccc2)C1 ZINC000564446677 321131978 /nfs/dbraw/zinc/13/19/78/321131978.db2.gz RUFDAWWKVIVVLQ-FBVQUNGASA-N 2 2 341.455 1.316 20 0 EDADLP C[N@H+]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)[C@H](c2ccccc2)C1 ZINC000564446677 321131979 /nfs/dbraw/zinc/13/19/79/321131979.db2.gz RUFDAWWKVIVVLQ-FBVQUNGASA-N 2 2 341.455 1.316 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)C[NH+]3CC(C)(C)C3)CCCC2)CC1 ZINC000564587373 321136954 /nfs/dbraw/zinc/13/69/54/321136954.db2.gz YQUXDPNGAGDEKO-UHFFFAOYSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)c2cc1C ZINC000564880052 321153653 /nfs/dbraw/zinc/15/36/53/321153653.db2.gz NISHDNSYLSOHOV-CABCVRRESA-N 2 2 340.431 1.622 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](c4nnc[nH]4)C3)c2cc1C ZINC000564880052 321153655 /nfs/dbraw/zinc/15/36/55/321153655.db2.gz NISHDNSYLSOHOV-CABCVRRESA-N 2 2 340.431 1.622 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000564943284 321159114 /nfs/dbraw/zinc/15/91/14/321159114.db2.gz ZHOQROJPVIMJFJ-NVXWUHKLSA-N 2 2 347.459 1.468 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000564943284 321159116 /nfs/dbraw/zinc/15/91/16/321159116.db2.gz ZHOQROJPVIMJFJ-NVXWUHKLSA-N 2 2 347.459 1.468 20 0 EDADLP O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000568085801 321276299 /nfs/dbraw/zinc/27/62/99/321276299.db2.gz ZWYHQPAOJXRAKC-MQVJKMGUSA-N 2 2 338.411 1.508 20 0 EDADLP COc1cc(C#N)ccc1OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568159105 321277339 /nfs/dbraw/zinc/27/73/39/321277339.db2.gz WHHPILQLXWLEOE-UHFFFAOYSA-N 2 2 327.388 1.491 20 0 EDADLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)n1cc[nH+]c1 ZINC000568396448 321289767 /nfs/dbraw/zinc/28/97/67/321289767.db2.gz IXPVFOOFTWFSHQ-FUHWJXTLSA-N 2 2 342.443 1.851 20 0 EDADLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)n1cc[nH+]c1 ZINC000568396448 321289769 /nfs/dbraw/zinc/28/97/69/321289769.db2.gz IXPVFOOFTWFSHQ-FUHWJXTLSA-N 2 2 342.443 1.851 20 0 EDADLP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000569086597 321317988 /nfs/dbraw/zinc/31/79/88/321317988.db2.gz QERLGKKLBKVRAX-UHFFFAOYSA-N 2 2 331.464 1.465 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000570543352 321346779 /nfs/dbraw/zinc/34/67/79/321346779.db2.gz UUVHSPVSVXUXJD-MRXNPFEDSA-N 2 2 345.447 1.029 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000570543352 321346781 /nfs/dbraw/zinc/34/67/81/321346781.db2.gz UUVHSPVSVXUXJD-MRXNPFEDSA-N 2 2 345.447 1.029 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC000289470295 444151973 /nfs/dbraw/zinc/15/19/73/444151973.db2.gz QXSJHFRWFMHYNR-AWEZNQCLSA-N 2 2 337.493 1.230 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC000289470295 444151978 /nfs/dbraw/zinc/15/19/78/444151978.db2.gz QXSJHFRWFMHYNR-AWEZNQCLSA-N 2 2 337.493 1.230 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC000289470295 444151981 /nfs/dbraw/zinc/15/19/81/444151981.db2.gz QXSJHFRWFMHYNR-AWEZNQCLSA-N 2 2 337.493 1.230 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC000289470295 444151984 /nfs/dbraw/zinc/15/19/84/444151984.db2.gz QXSJHFRWFMHYNR-AWEZNQCLSA-N 2 2 337.493 1.230 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC(C[NH+]3CCCC3)CC2)nc[nH+]1 ZINC000301356551 444165903 /nfs/dbraw/zinc/16/59/03/444165903.db2.gz KPCMJDNIBXSCOL-QGZVFWFLSA-N 2 2 345.491 1.750 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]cn1 ZINC000301356551 444165906 /nfs/dbraw/zinc/16/59/06/444165906.db2.gz KPCMJDNIBXSCOL-QGZVFWFLSA-N 2 2 345.491 1.750 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000574338143 321480085 /nfs/dbraw/zinc/48/00/85/321480085.db2.gz NLLONRRVXDVPNH-UHFFFAOYSA-N 2 2 331.420 1.463 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282249110 444125790 /nfs/dbraw/zinc/12/57/90/444125790.db2.gz JKWZCMGQAVYJRX-FZKQIMNGSA-N 2 2 326.444 1.565 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282249110 444125799 /nfs/dbraw/zinc/12/57/99/444125799.db2.gz JKWZCMGQAVYJRX-FZKQIMNGSA-N 2 2 326.444 1.565 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000289807978 444206107 /nfs/dbraw/zinc/20/61/07/444206107.db2.gz ISAQNZAYBYXXCL-HIFRSBDPSA-N 2 2 339.871 1.336 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000289807978 444206109 /nfs/dbraw/zinc/20/61/09/444206109.db2.gz ISAQNZAYBYXXCL-HIFRSBDPSA-N 2 2 339.871 1.336 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc4nccn43)CC2)CC1 ZINC000289738652 444196929 /nfs/dbraw/zinc/19/69/29/444196929.db2.gz IHVKLJWCUFWBQX-UHFFFAOYSA-N 2 2 341.459 1.320 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)CC1 ZINC000289738652 444196932 /nfs/dbraw/zinc/19/69/32/444196932.db2.gz IHVKLJWCUFWBQX-UHFFFAOYSA-N 3 2 341.459 1.320 20 0 EDADLP CC(C)c1nc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000301950953 444197831 /nfs/dbraw/zinc/19/78/31/444197831.db2.gz ZRUIJDYXYXJEFY-ZIAGYGMSSA-N 2 2 336.484 1.972 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000296021688 444199781 /nfs/dbraw/zinc/19/97/81/444199781.db2.gz RGVRIGGTPYLTCH-RISCZKNCSA-N 2 2 333.354 1.914 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000296021688 444199782 /nfs/dbraw/zinc/19/97/82/444199782.db2.gz RGVRIGGTPYLTCH-RISCZKNCSA-N 2 2 333.354 1.914 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000296021691 444199802 /nfs/dbraw/zinc/19/98/02/444199802.db2.gz RGVRIGGTPYLTCH-SMDDNHRTSA-N 2 2 333.354 1.914 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000296021691 444199804 /nfs/dbraw/zinc/19/98/04/444199804.db2.gz RGVRIGGTPYLTCH-SMDDNHRTSA-N 2 2 333.354 1.914 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)C[N@@H+]1Cc1ccccc1 ZINC000289802758 444205039 /nfs/dbraw/zinc/20/50/39/444205039.db2.gz KZAWVMLJCOCAFA-WBVHZDCISA-N 2 2 329.448 1.413 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)C[N@H+]1Cc1ccccc1 ZINC000289802758 444205042 /nfs/dbraw/zinc/20/50/42/444205042.db2.gz KZAWVMLJCOCAFA-WBVHZDCISA-N 2 2 329.448 1.413 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000290152793 444248799 /nfs/dbraw/zinc/24/87/99/444248799.db2.gz LELUGUGHBPUBTG-VQIMIIECSA-N 2 2 345.487 1.876 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000290152793 444248802 /nfs/dbraw/zinc/24/88/02/444248802.db2.gz LELUGUGHBPUBTG-VQIMIIECSA-N 2 2 345.487 1.876 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000305099634 444257754 /nfs/dbraw/zinc/25/77/54/444257754.db2.gz YGJYJDPZAUOJAP-XHSDSOJGSA-N 2 2 340.512 1.515 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000305099634 444257755 /nfs/dbraw/zinc/25/77/55/444257755.db2.gz YGJYJDPZAUOJAP-XHSDSOJGSA-N 2 2 340.512 1.515 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000290358404 444271386 /nfs/dbraw/zinc/27/13/86/444271386.db2.gz LIHSINPQULWDQV-JKSUJKDBSA-N 2 2 327.432 1.950 20 0 EDADLP CC(C)c1cc(N2CC[C@@H]([NH+](C)C)C2)nc(N2CC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000302786351 444224137 /nfs/dbraw/zinc/22/41/37/444224137.db2.gz WDNVABJRFYRROU-CVEARBPZSA-N 3 2 346.523 1.881 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCO1 ZINC000302802255 444224657 /nfs/dbraw/zinc/22/46/57/444224657.db2.gz URIHBUDAGYMJGR-OAHLLOKOSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@@H]1C[N@H+](C2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCO1 ZINC000302802255 444224658 /nfs/dbraw/zinc/22/46/58/444224658.db2.gz URIHBUDAGYMJGR-OAHLLOKOSA-N 2 2 347.463 1.003 20 0 EDADLP c1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000302841710 444227404 /nfs/dbraw/zinc/22/74/04/444227404.db2.gz MGCSLANWHQKUBW-NVXWUHKLSA-N 2 2 343.475 1.766 20 0 EDADLP c1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000302841710 444227407 /nfs/dbraw/zinc/22/74/07/444227407.db2.gz MGCSLANWHQKUBW-NVXWUHKLSA-N 2 2 343.475 1.766 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[nH+]1 ZINC000302841710 444227409 /nfs/dbraw/zinc/22/74/09/444227409.db2.gz MGCSLANWHQKUBW-NVXWUHKLSA-N 2 2 343.475 1.766 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH+]1 ZINC000302841710 444227411 /nfs/dbraw/zinc/22/74/11/444227411.db2.gz MGCSLANWHQKUBW-NVXWUHKLSA-N 2 2 343.475 1.766 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000302882631 444229287 /nfs/dbraw/zinc/22/92/87/444229287.db2.gz IWUSSCVGTIRYJL-OAHLLOKOSA-N 2 2 342.447 1.506 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000302882631 444229288 /nfs/dbraw/zinc/22/92/88/444229288.db2.gz IWUSSCVGTIRYJL-OAHLLOKOSA-N 2 2 342.447 1.506 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000577094950 321622733 /nfs/dbraw/zinc/62/27/33/321622733.db2.gz BIWIABZSKSZMQJ-QGZVFWFLSA-N 2 2 326.444 1.978 20 0 EDADLP Cc1cccc(C(=O)N2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)c1 ZINC000290020258 444231443 /nfs/dbraw/zinc/23/14/43/444231443.db2.gz PHVGDSUWQRPUQZ-IBGZPJMESA-N 2 2 345.487 1.598 20 0 EDADLP Cc1cccc(C(=O)N2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)c1 ZINC000290020258 444231446 /nfs/dbraw/zinc/23/14/46/444231446.db2.gz PHVGDSUWQRPUQZ-IBGZPJMESA-N 2 2 345.487 1.598 20 0 EDADLP Cc1cccc(C(=O)N2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)CC2)c1 ZINC000290020258 444231448 /nfs/dbraw/zinc/23/14/48/444231448.db2.gz PHVGDSUWQRPUQZ-IBGZPJMESA-N 2 2 345.487 1.598 20 0 EDADLP Cc1cccc(C(=O)N2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)CC2)c1 ZINC000290020258 444231450 /nfs/dbraw/zinc/23/14/50/444231450.db2.gz PHVGDSUWQRPUQZ-IBGZPJMESA-N 2 2 345.487 1.598 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302918424 444231642 /nfs/dbraw/zinc/23/16/42/444231642.db2.gz XRONUSTZAJDXOO-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@H+]1CC[C@H](CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302918424 444231644 /nfs/dbraw/zinc/23/16/44/444231644.db2.gz XRONUSTZAJDXOO-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302918424 444231646 /nfs/dbraw/zinc/23/16/46/444231646.db2.gz XRONUSTZAJDXOO-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@H+]1CC[C@H](CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302918424 444231648 /nfs/dbraw/zinc/23/16/48/444231648.db2.gz XRONUSTZAJDXOO-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP COCC[N@H+](C)CCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000297578952 444303539 /nfs/dbraw/zinc/30/35/39/444303539.db2.gz HSRNADGGKBSKMX-INIZCTEOSA-N 2 2 345.447 1.719 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000297578952 444303542 /nfs/dbraw/zinc/30/35/42/444303542.db2.gz HSRNADGGKBSKMX-INIZCTEOSA-N 2 2 345.447 1.719 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297591828 444305368 /nfs/dbraw/zinc/30/53/68/444305368.db2.gz RROABEPVYFWHFQ-AWEZNQCLSA-N 2 2 331.420 1.196 20 0 EDADLP O=S(=O)(C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000305773959 444279791 /nfs/dbraw/zinc/27/97/91/444279791.db2.gz YDSVWAUGJDSBGY-MELADBBJSA-N 2 2 344.502 1.099 20 0 EDADLP O=S(=O)(C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccs1 ZINC000305773959 444279794 /nfs/dbraw/zinc/27/97/94/444279794.db2.gz YDSVWAUGJDSBGY-MELADBBJSA-N 2 2 344.502 1.099 20 0 EDADLP OC1CC[NH+](CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000305817924 444281894 /nfs/dbraw/zinc/28/18/94/444281894.db2.gz ANSITSPDNRAOQX-UHFFFAOYSA-N 3 2 337.430 1.840 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000310564959 444291980 /nfs/dbraw/zinc/29/19/80/444291980.db2.gz XBJWAGIPELJTGN-GOSISDBHSA-N 2 2 336.476 1.607 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000310564959 444291982 /nfs/dbraw/zinc/29/19/82/444291982.db2.gz XBJWAGIPELJTGN-GOSISDBHSA-N 2 2 336.476 1.607 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000578013266 321708388 /nfs/dbraw/zinc/70/83/88/321708388.db2.gz KCPBABWDYJBXQU-GJZGRUSLSA-N 2 2 349.479 1.144 20 0 EDADLP Cc1c(C(=O)NCc2cc(C)[nH+]c(C)c2)nnn1C1CC[NH2+]CC1 ZINC000578068487 321716757 /nfs/dbraw/zinc/71/67/57/321716757.db2.gz FCCXFBTXVSVQBP-UHFFFAOYSA-N 2 2 328.420 1.453 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000297982091 444377052 /nfs/dbraw/zinc/37/70/52/444377052.db2.gz YDFBXHCSPYUDHH-SFHVURJKSA-N 2 2 342.443 1.690 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000297997466 444382171 /nfs/dbraw/zinc/38/21/71/444382171.db2.gz NVXBWRNVAURELN-UHFFFAOYSA-N 2 2 332.404 1.957 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C[NH+]1CCCC1 ZINC000298027782 444391153 /nfs/dbraw/zinc/39/11/53/444391153.db2.gz FAAWZJKZVDPXIU-CYBMUJFWSA-N 2 2 329.404 1.121 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000337824845 444425714 /nfs/dbraw/zinc/42/57/14/444425714.db2.gz WPWNBHWYCCZRKW-KGLIPLIRSA-N 2 2 348.438 1.472 20 0 EDADLP CS[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1[NH+](C)C ZINC000340591580 444452600 /nfs/dbraw/zinc/45/26/00/444452600.db2.gz DDTZIHYESBUQBZ-JKSUJKDBSA-N 2 2 330.457 1.990 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)C1 ZINC000328699492 444434393 /nfs/dbraw/zinc/43/43/93/444434393.db2.gz MGWCEOGQCXMWHF-YJBOKZPZSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C2)C1 ZINC000328699492 444434398 /nfs/dbraw/zinc/43/43/98/444434398.db2.gz MGWCEOGQCXMWHF-YJBOKZPZSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)C2)C1 ZINC000328699492 444434400 /nfs/dbraw/zinc/43/44/00/444434400.db2.gz MGWCEOGQCXMWHF-YJBOKZPZSA-N 2 2 331.464 1.360 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000579572517 321949113 /nfs/dbraw/zinc/94/91/13/321949113.db2.gz VVTMPQVVKNDBHV-IAGOWNOFSA-N 2 2 345.491 1.860 20 0 EDADLP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329002581 444441062 /nfs/dbraw/zinc/44/10/62/444441062.db2.gz HFLLVTTULONURL-MJXUCMMTSA-N 2 2 332.448 1.629 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329170468 444490942 /nfs/dbraw/zinc/49/09/42/444490942.db2.gz JZPDYOREEGMETN-QGZVFWFLSA-N 2 2 346.475 1.834 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329170468 444490945 /nfs/dbraw/zinc/49/09/45/444490945.db2.gz JZPDYOREEGMETN-QGZVFWFLSA-N 2 2 346.475 1.834 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000580062763 322003206 /nfs/dbraw/zinc/00/32/06/322003206.db2.gz FTHNNGJRIDTEHT-IUODEOHRSA-N 2 2 341.452 1.453 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000580422923 322048595 /nfs/dbraw/zinc/04/85/95/322048595.db2.gz VQXDDOJUOUKPBN-HXUWFJFHSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000580422923 322048596 /nfs/dbraw/zinc/04/85/96/322048596.db2.gz VQXDDOJUOUKPBN-HXUWFJFHSA-N 2 2 345.487 1.874 20 0 EDADLP COC(=O)[C@@H](C)[NH+](C)Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)OC)c1 ZINC000580809050 322097243 /nfs/dbraw/zinc/09/72/43/322097243.db2.gz CONYCTBYBMCGIL-ZIAGYGMSSA-N 2 2 336.432 1.673 20 0 EDADLP COC(=O)[C@@H](C)[NH+](C)Cc1cccc(C[N@H+](C)[C@H](C)C(=O)OC)c1 ZINC000580809050 322097247 /nfs/dbraw/zinc/09/72/47/322097247.db2.gz CONYCTBYBMCGIL-ZIAGYGMSSA-N 2 2 336.432 1.673 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000580822914 322099540 /nfs/dbraw/zinc/09/95/40/322099540.db2.gz UQVLTARZEFNVDS-YESZJQIVSA-N 2 2 332.448 1.191 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000580822914 322099541 /nfs/dbraw/zinc/09/95/41/322099541.db2.gz UQVLTARZEFNVDS-YESZJQIVSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)C[C@@H](C)O1 ZINC000581127100 322138725 /nfs/dbraw/zinc/13/87/25/322138725.db2.gz JYIKBGZEPAWZTL-YRGVVPAESA-N 2 2 349.475 1.361 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581251591 322155516 /nfs/dbraw/zinc/15/55/16/322155516.db2.gz XHBPVOQGKQHDJS-HNAYVOBHSA-N 2 2 331.460 1.775 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000581251591 322155519 /nfs/dbraw/zinc/15/55/19/322155519.db2.gz XHBPVOQGKQHDJS-HNAYVOBHSA-N 2 2 331.460 1.775 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@@H+]3CCCC[C@H]3C)nc[nH+]2)C1 ZINC000581297290 322160342 /nfs/dbraw/zinc/16/03/42/322160342.db2.gz ICDNCESOFPJTJK-OWCLPIDISA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@H+]3CCCC[C@H]3C)nc[nH+]2)C1 ZINC000581297290 322160343 /nfs/dbraw/zinc/16/03/43/322160343.db2.gz ICDNCESOFPJTJK-OWCLPIDISA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)(C)c1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC000581321493 322164104 /nfs/dbraw/zinc/16/41/04/322164104.db2.gz NHXCAOANFMKPFH-CHWSQXEVSA-N 2 2 345.491 1.820 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)[C@@H](C[NH3+])C1 ZINC000581417341 322174560 /nfs/dbraw/zinc/17/45/60/322174560.db2.gz WZHZWBJLGCYVBO-ZDUSSCGKSA-N 2 2 336.411 1.864 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)[C@@H](C[NH3+])C1 ZINC000581417341 322174561 /nfs/dbraw/zinc/17/45/61/322174561.db2.gz WZHZWBJLGCYVBO-ZDUSSCGKSA-N 2 2 336.411 1.864 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000581424801 322175718 /nfs/dbraw/zinc/17/57/18/322175718.db2.gz IZZYAJQEPXJOSU-CEXWTWQISA-N 3 2 341.540 1.702 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000581424801 322175719 /nfs/dbraw/zinc/17/57/19/322175719.db2.gz IZZYAJQEPXJOSU-CEXWTWQISA-N 3 2 341.540 1.702 20 0 EDADLP C[C@@H](C(=O)NCCC[NH2+]C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000581669102 322207075 /nfs/dbraw/zinc/20/70/75/322207075.db2.gz DIEKQFIRMVJKOT-HNNXBMFYSA-N 2 2 348.466 1.595 20 0 EDADLP COc1cc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1Cl ZINC000581716191 322212346 /nfs/dbraw/zinc/21/23/46/322212346.db2.gz QTSVKZKNBDWFSZ-ZDUSSCGKSA-N 2 2 340.855 1.175 20 0 EDADLP COc1cc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1Cl ZINC000581716191 322212347 /nfs/dbraw/zinc/21/23/47/322212347.db2.gz QTSVKZKNBDWFSZ-ZDUSSCGKSA-N 2 2 340.855 1.175 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000332415588 444514001 /nfs/dbraw/zinc/51/40/01/444514001.db2.gz LYSJTZNXSBWWHZ-VGWMRTNUSA-N 2 2 347.463 1.021 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343767677 444576682 /nfs/dbraw/zinc/57/66/82/444576682.db2.gz NCQIHYFTLRNVGV-MQVJKMGUSA-N 2 2 342.443 1.113 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000342151334 444537176 /nfs/dbraw/zinc/53/71/76/444537176.db2.gz XRPWZDVFDXMTGP-ZDUSSCGKSA-N 2 2 335.448 1.522 20 0 EDADLP C[C@H]1CCC[C@@](CNC(=O)C(C)(C)[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000338163819 444543279 /nfs/dbraw/zinc/54/32/79/444543279.db2.gz ROXOTKXHEPMWKM-MAUKXSAKSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)C2)CC1 ZINC000332901881 444591356 /nfs/dbraw/zinc/59/13/56/444591356.db2.gz WFFFRQUXNZFRBT-GJZGRUSLSA-N 2 2 331.464 1.640 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000332901881 444591361 /nfs/dbraw/zinc/59/13/61/444591361.db2.gz WFFFRQUXNZFRBT-GJZGRUSLSA-N 2 2 331.464 1.640 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1C ZINC000340966509 444604367 /nfs/dbraw/zinc/60/43/67/444604367.db2.gz VDYGNPLYOGFXSS-HOCLYGCPSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000340966509 444604372 /nfs/dbraw/zinc/60/43/72/444604372.db2.gz VDYGNPLYOGFXSS-HOCLYGCPSA-N 2 2 331.464 1.964 20 0 EDADLP CC[C@@H](C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000338293188 444614848 /nfs/dbraw/zinc/61/48/48/444614848.db2.gz XEFNJCTVQDUIHH-ZBFHGGJFSA-N 2 2 341.496 1.497 20 0 EDADLP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000338293277 444616070 /nfs/dbraw/zinc/61/60/70/444616070.db2.gz UOJGXNOWTKNKTA-UHFFFAOYSA-N 2 2 327.469 1.204 20 0 EDADLP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000338293277 444616071 /nfs/dbraw/zinc/61/60/71/444616071.db2.gz UOJGXNOWTKNKTA-UHFFFAOYSA-N 2 2 327.469 1.204 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)CC[C@H]21 ZINC000332995390 444625340 /nfs/dbraw/zinc/62/53/40/444625340.db2.gz ANKJRYQYNZNKCQ-OWCLPIDISA-N 2 2 331.464 1.988 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)CC[C@H]21 ZINC000332995390 444625343 /nfs/dbraw/zinc/62/53/43/444625343.db2.gz ANKJRYQYNZNKCQ-OWCLPIDISA-N 2 2 331.464 1.988 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)C1 ZINC000342366024 444658161 /nfs/dbraw/zinc/65/81/61/444658161.db2.gz HJOJQDBNCCMOFP-MAUKXSAKSA-N 2 2 349.450 1.752 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)C1 ZINC000342366024 444658167 /nfs/dbraw/zinc/65/81/67/444658167.db2.gz HJOJQDBNCCMOFP-MAUKXSAKSA-N 2 2 349.450 1.752 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)C1 ZINC000343922158 444671209 /nfs/dbraw/zinc/67/12/09/444671209.db2.gz TZQMVSZCYROOKZ-VQIMIIECSA-N 2 2 344.503 1.785 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)C1 ZINC000343922158 444671212 /nfs/dbraw/zinc/67/12/12/444671212.db2.gz TZQMVSZCYROOKZ-VQIMIIECSA-N 2 2 344.503 1.785 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343925253 444673532 /nfs/dbraw/zinc/67/35/32/444673532.db2.gz OLXJTDRYLPCZKQ-BRWVUGGUSA-N 2 2 325.497 1.676 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343925253 444673535 /nfs/dbraw/zinc/67/35/35/444673535.db2.gz OLXJTDRYLPCZKQ-BRWVUGGUSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000338413794 444680383 /nfs/dbraw/zinc/68/03/83/444680383.db2.gz SMEBYDOOYBAIPY-HNNXBMFYSA-N 2 2 345.447 1.711 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2CCn3cc[nH+]c3C2)n1 ZINC000333185830 444645910 /nfs/dbraw/zinc/64/59/10/444645910.db2.gz UDZGADQNEAXZON-WMLDXEAASA-N 2 2 342.447 2.309 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343971541 444701807 /nfs/dbraw/zinc/70/18/07/444701807.db2.gz FRTPZNZJSMPOHS-XYJFISCASA-N 2 2 338.540 1.638 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343971541 444701809 /nfs/dbraw/zinc/70/18/09/444701809.db2.gz FRTPZNZJSMPOHS-XYJFISCASA-N 2 2 338.540 1.638 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000341204094 444727408 /nfs/dbraw/zinc/72/74/08/444727408.db2.gz PGGQIAJPXTUWSD-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000341204094 444727411 /nfs/dbraw/zinc/72/74/11/444727411.db2.gz PGGQIAJPXTUWSD-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP COC(=O)COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000341124267 444686230 /nfs/dbraw/zinc/68/62/30/444686230.db2.gz ASCYVDAOGKBZMM-QGZVFWFLSA-N 2 2 348.443 1.393 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000342423692 444686324 /nfs/dbraw/zinc/68/63/24/444686324.db2.gz CIIYARJKCJYVCQ-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000342423692 444686329 /nfs/dbraw/zinc/68/63/29/444686329.db2.gz CIIYARJKCJYVCQ-BPQIPLTHSA-N 2 2 335.492 1.573 20 0 EDADLP COCCCn1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000338434397 444693364 /nfs/dbraw/zinc/69/33/64/444693364.db2.gz AZLNMIBIEYHRQI-QZTJIDSGSA-N 2 2 336.480 1.387 20 0 EDADLP C[C@H]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000334082835 444774060 /nfs/dbraw/zinc/77/40/60/444774060.db2.gz LBRRLKUMJVHBHM-HOTGVXAUSA-N 2 2 335.452 1.198 20 0 EDADLP C[C@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000334082835 444774063 /nfs/dbraw/zinc/77/40/63/444774063.db2.gz LBRRLKUMJVHBHM-HOTGVXAUSA-N 2 2 335.452 1.198 20 0 EDADLP C[C@]1(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]C1 ZINC000342613047 444777091 /nfs/dbraw/zinc/77/70/91/444777091.db2.gz CJTJXKXOBGJJHC-IBGZPJMESA-N 2 2 331.460 1.638 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nnc(C2CC2)n1C ZINC000344124997 444794049 /nfs/dbraw/zinc/79/40/49/444794049.db2.gz HTEUSYWCVYBOMK-UHFFFAOYSA-N 2 2 334.512 1.542 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nnc(C2CC2)n1C ZINC000344124997 444794052 /nfs/dbraw/zinc/79/40/52/444794052.db2.gz HTEUSYWCVYBOMK-UHFFFAOYSA-N 2 2 334.512 1.542 20 0 EDADLP O=S(=O)(NC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)C1CC1 ZINC000344134755 444800529 /nfs/dbraw/zinc/80/05/29/444800529.db2.gz ZJSHIWNFMWZZGD-MRXNPFEDSA-N 2 2 343.537 1.656 20 0 EDADLP O=S(=O)(NC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)C1CC1 ZINC000344134755 444800533 /nfs/dbraw/zinc/80/05/33/444800533.db2.gz ZJSHIWNFMWZZGD-MRXNPFEDSA-N 2 2 343.537 1.656 20 0 EDADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCN2CCCS2(=O)=O)C1 ZINC000336869213 444813719 /nfs/dbraw/zinc/81/37/19/444813719.db2.gz AFESUKVPJUDGNA-DLBZAZTESA-N 2 2 343.537 1.608 20 0 EDADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCN2CCCS2(=O)=O)C1 ZINC000336869213 444813722 /nfs/dbraw/zinc/81/37/22/444813722.db2.gz AFESUKVPJUDGNA-DLBZAZTESA-N 2 2 343.537 1.608 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000336869213 444813725 /nfs/dbraw/zinc/81/37/25/444813725.db2.gz AFESUKVPJUDGNA-DLBZAZTESA-N 2 2 343.537 1.608 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000336869213 444813727 /nfs/dbraw/zinc/81/37/27/444813727.db2.gz AFESUKVPJUDGNA-DLBZAZTESA-N 2 2 343.537 1.608 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000342690863 444815596 /nfs/dbraw/zinc/81/55/96/444815596.db2.gz YUIOKGKOJHYMRZ-BMGDILEWSA-N 2 2 337.508 1.722 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000342690863 444815600 /nfs/dbraw/zinc/81/56/00/444815600.db2.gz YUIOKGKOJHYMRZ-BMGDILEWSA-N 2 2 337.508 1.722 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336879297 444827091 /nfs/dbraw/zinc/82/70/91/444827091.db2.gz LYYGJFQQWGUJJT-JZXOWHBKSA-N 2 2 334.508 1.240 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336879297 444827094 /nfs/dbraw/zinc/82/70/94/444827094.db2.gz LYYGJFQQWGUJJT-JZXOWHBKSA-N 2 2 334.508 1.240 20 0 EDADLP CCc1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000330108886 444847395 /nfs/dbraw/zinc/84/73/95/444847395.db2.gz OIBFNTUWMGABKN-UHFFFAOYSA-N 2 2 335.452 1.312 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@@H]3CC[NH2+]CC3(F)F)CC2)[nH+]1 ZINC000342762972 444854015 /nfs/dbraw/zinc/85/40/15/444854015.db2.gz ZQYBQYCQTKWSHP-AWEZNQCLSA-N 2 2 338.402 1.720 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000341498989 444861866 /nfs/dbraw/zinc/86/18/66/444861866.db2.gz MZOQXMJLFGTIJO-IKGGRYGDSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000341498989 444861870 /nfs/dbraw/zinc/86/18/70/444861870.db2.gz MZOQXMJLFGTIJO-IKGGRYGDSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000341498989 444861873 /nfs/dbraw/zinc/86/18/73/444861873.db2.gz MZOQXMJLFGTIJO-IKGGRYGDSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000341498989 444861876 /nfs/dbraw/zinc/86/18/76/444861876.db2.gz MZOQXMJLFGTIJO-IKGGRYGDSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000344289001 444882932 /nfs/dbraw/zinc/88/29/32/444882932.db2.gz YNJWHYNPEIDOER-ZACQAIPSSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000344289001 444882936 /nfs/dbraw/zinc/88/29/36/444882936.db2.gz YNJWHYNPEIDOER-ZACQAIPSSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nnnn3C3CC3)CC2)C[C@@H](C)O1 ZINC000330216620 444891906 /nfs/dbraw/zinc/89/19/06/444891906.db2.gz HWOWJOAKKDOALW-HUUCEWRRSA-N 2 2 348.495 1.719 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000344319553 444898046 /nfs/dbraw/zinc/89/80/46/444898046.db2.gz BVEJTHWDMBKGOP-OLZOCXBDSA-N 2 2 336.505 1.914 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000344319553 444898048 /nfs/dbraw/zinc/89/80/48/444898048.db2.gz BVEJTHWDMBKGOP-OLZOCXBDSA-N 2 2 336.505 1.914 20 0 EDADLP C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000341573119 444901153 /nfs/dbraw/zinc/90/11/53/444901153.db2.gz UQQHAKYZYYRYTF-SOUVJXGZSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000341573119 444901158 /nfs/dbraw/zinc/90/11/58/444901158.db2.gz UQQHAKYZYYRYTF-SOUVJXGZSA-N 2 2 326.485 1.077 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769678 444992826 /nfs/dbraw/zinc/99/28/26/444992826.db2.gz MRRQEEOYRRJFSU-LPHOPBHVSA-N 2 2 344.503 1.960 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769678 444992829 /nfs/dbraw/zinc/99/28/29/444992829.db2.gz MRRQEEOYRRJFSU-LPHOPBHVSA-N 2 2 344.503 1.960 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000339068233 445017133 /nfs/dbraw/zinc/01/71/33/445017133.db2.gz NDKDGATYJDTNOQ-QUCCMNQESA-N 4 2 343.519 1.810 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000339068233 445017137 /nfs/dbraw/zinc/01/71/37/445017137.db2.gz NDKDGATYJDTNOQ-QUCCMNQESA-N 4 2 343.519 1.810 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NCc3cc(F)cc(F)c3)C2)C1 ZINC000339434264 445140012 /nfs/dbraw/zinc/14/00/12/445140012.db2.gz VZTLHTGSFQCPJA-SFHVURJKSA-N 2 2 337.414 1.999 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NCc3cc(F)cc(F)c3)C2)C1 ZINC000339434264 445140018 /nfs/dbraw/zinc/14/00/18/445140018.db2.gz VZTLHTGSFQCPJA-SFHVURJKSA-N 2 2 337.414 1.999 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)C1 ZINC000339434264 445140019 /nfs/dbraw/zinc/14/00/19/445140019.db2.gz VZTLHTGSFQCPJA-SFHVURJKSA-N 2 2 337.414 1.999 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)C1 ZINC000339434264 445140023 /nfs/dbraw/zinc/14/00/23/445140023.db2.gz VZTLHTGSFQCPJA-SFHVURJKSA-N 2 2 337.414 1.999 20 0 EDADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000339224756 445098458 /nfs/dbraw/zinc/09/84/58/445098458.db2.gz UHNAVTRSWXPTEV-KRWDZBQOSA-N 2 2 343.431 1.466 20 0 EDADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000339224756 445098462 /nfs/dbraw/zinc/09/84/62/445098462.db2.gz UHNAVTRSWXPTEV-KRWDZBQOSA-N 2 2 343.431 1.466 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000339234841 445105130 /nfs/dbraw/zinc/10/51/30/445105130.db2.gz WAEQBOJJTULGEK-CYBMUJFWSA-N 2 2 325.840 1.723 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000339234841 445105131 /nfs/dbraw/zinc/10/51/31/445105131.db2.gz WAEQBOJJTULGEK-CYBMUJFWSA-N 2 2 325.840 1.723 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)c3ccccc3)C2)CC1 ZINC000337501806 445107676 /nfs/dbraw/zinc/10/76/76/445107676.db2.gz MCZSCGDNQLQCAE-MJGOQNOKSA-N 2 2 344.503 1.750 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)N(C)c3ccccc3)C2)CC1 ZINC000337501806 445107681 /nfs/dbraw/zinc/10/76/81/445107681.db2.gz MCZSCGDNQLQCAE-MJGOQNOKSA-N 2 2 344.503 1.750 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCCc3ccc(F)cc3)C2)C1 ZINC000339442092 445142794 /nfs/dbraw/zinc/14/27/94/445142794.db2.gz XPLDWMDZJQYSOO-LJQANCHMSA-N 2 2 333.451 1.902 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCCc3ccc(F)cc3)C2)C1 ZINC000339442092 445142797 /nfs/dbraw/zinc/14/27/97/445142797.db2.gz XPLDWMDZJQYSOO-LJQANCHMSA-N 2 2 333.451 1.902 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NCCc3ccc(F)cc3)C2)C1 ZINC000339442092 445142799 /nfs/dbraw/zinc/14/27/99/445142799.db2.gz XPLDWMDZJQYSOO-LJQANCHMSA-N 2 2 333.451 1.902 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NCCc3ccc(F)cc3)C2)C1 ZINC000339442092 445142802 /nfs/dbraw/zinc/14/28/02/445142802.db2.gz XPLDWMDZJQYSOO-LJQANCHMSA-N 2 2 333.451 1.902 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000345661863 445194945 /nfs/dbraw/zinc/19/49/45/445194945.db2.gz YDYVTJWHSQKHGA-DJIMGWMZSA-N 2 2 328.460 1.849 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000345661863 445194947 /nfs/dbraw/zinc/19/49/47/445194947.db2.gz YDYVTJWHSQKHGA-DJIMGWMZSA-N 2 2 328.460 1.849 20 0 EDADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)[NH+]2CCOCC2)c1 ZINC000343466642 445228102 /nfs/dbraw/zinc/22/81/02/445228102.db2.gz JRFWRDCYAIFVBU-QGZVFWFLSA-N 2 2 333.476 1.606 20 0 EDADLP Cc1cc(C(F)(F)F)nc(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000347421220 445238093 /nfs/dbraw/zinc/23/80/93/445238093.db2.gz ZEOONEGRISJFTC-UHFFFAOYSA-N 2 2 331.386 2.242 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]CC[NH+](C)C ZINC000348323237 445256283 /nfs/dbraw/zinc/25/62/83/445256283.db2.gz JPQVXKJJVRJYKD-ZDUSSCGKSA-N 2 2 332.448 1.903 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CCOCCO ZINC000348345766 445263110 /nfs/dbraw/zinc/26/31/10/445263110.db2.gz ICFDZECIUAGUGV-CYBMUJFWSA-N 2 2 332.404 1.344 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CCOCCO ZINC000348345766 445263113 /nfs/dbraw/zinc/26/31/13/445263113.db2.gz ICFDZECIUAGUGV-CYBMUJFWSA-N 2 2 332.404 1.344 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC(C)(C)C[NH+]3CCCC3)C[C@@H]21 ZINC000348044284 445263857 /nfs/dbraw/zinc/26/38/57/445263857.db2.gz LYGMIZGFJLREBC-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC(C)(C)C[NH+]3CCCC3)C[C@@H]21 ZINC000348044284 445263858 /nfs/dbraw/zinc/26/38/58/445263858.db2.gz LYGMIZGFJLREBC-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351775571 445316947 /nfs/dbraw/zinc/31/69/47/445316947.db2.gz QRLYURFXMJFORG-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351775571 445316950 /nfs/dbraw/zinc/31/69/50/445316950.db2.gz QRLYURFXMJFORG-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP CCn1cc(CC[N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000348214588 445317887 /nfs/dbraw/zinc/31/78/87/445317887.db2.gz YVCFZOCZCDVJEE-DLBZAZTESA-N 2 2 348.470 1.723 20 0 EDADLP CCn1cc(CC[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000348214588 445317889 /nfs/dbraw/zinc/31/78/89/445317889.db2.gz YVCFZOCZCDVJEE-DLBZAZTESA-N 2 2 348.470 1.723 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343644105 445278510 /nfs/dbraw/zinc/27/85/10/445278510.db2.gz OASMLSVYEIHWKY-YVSFHVDLSA-N 2 2 328.460 1.849 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343644105 445278514 /nfs/dbraw/zinc/27/85/14/445278514.db2.gz OASMLSVYEIHWKY-YVSFHVDLSA-N 2 2 328.460 1.849 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)c[nH+]1 ZINC000354636863 445323272 /nfs/dbraw/zinc/32/32/72/445323272.db2.gz NUKPBRZUKJWHNH-HNNXBMFYSA-N 2 2 328.420 1.350 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)c[nH+]1 ZINC000354636863 445323274 /nfs/dbraw/zinc/32/32/74/445323274.db2.gz NUKPBRZUKJWHNH-HNNXBMFYSA-N 2 2 328.420 1.350 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@@H](C)C1 ZINC000348663726 445345534 /nfs/dbraw/zinc/34/55/34/445345534.db2.gz FBXKZLNKFCWNLA-GOEBONIOSA-N 2 2 339.480 1.060 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@@H](C)C1 ZINC000348663726 445345537 /nfs/dbraw/zinc/34/55/37/445345537.db2.gz FBXKZLNKFCWNLA-GOEBONIOSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@@H](C)C1 ZINC000348663726 445345540 /nfs/dbraw/zinc/34/55/40/445345540.db2.gz FBXKZLNKFCWNLA-GOEBONIOSA-N 2 2 339.480 1.060 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)[C@@H](C)C1 ZINC000348663726 445345543 /nfs/dbraw/zinc/34/55/43/445345543.db2.gz FBXKZLNKFCWNLA-GOEBONIOSA-N 2 2 339.480 1.060 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c[nH+]1 ZINC000348670759 445346444 /nfs/dbraw/zinc/34/64/44/445346444.db2.gz JZCTZQMLJOSKTE-MRXNPFEDSA-N 2 2 325.478 1.678 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c[nH+]1 ZINC000348670759 445346446 /nfs/dbraw/zinc/34/64/46/445346446.db2.gz JZCTZQMLJOSKTE-MRXNPFEDSA-N 2 2 325.478 1.678 20 0 EDADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000354709180 445347315 /nfs/dbraw/zinc/34/73/15/445347315.db2.gz RFPOMYBPGIPWNT-LPHOPBHVSA-N 2 2 343.471 1.828 20 0 EDADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000354709180 445347317 /nfs/dbraw/zinc/34/73/17/445347317.db2.gz RFPOMYBPGIPWNT-LPHOPBHVSA-N 2 2 343.471 1.828 20 0 EDADLP C[NH+]1CCC(CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000348245411 445327151 /nfs/dbraw/zinc/32/71/51/445327151.db2.gz OMHHDVPBRXQHEC-UHFFFAOYSA-N 2 2 347.385 1.977 20 0 EDADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000348822323 445402319 /nfs/dbraw/zinc/40/23/19/445402319.db2.gz ZGWSZFWBJJRMPK-IRXDYDNUSA-N 2 2 339.528 1.042 20 0 EDADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000348822323 445402321 /nfs/dbraw/zinc/40/23/21/445402321.db2.gz ZGWSZFWBJJRMPK-IRXDYDNUSA-N 2 2 339.528 1.042 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000357080765 445413703 /nfs/dbraw/zinc/41/37/03/445413703.db2.gz NEDYDDDGOCQQBL-DLBZAZTESA-N 2 2 339.443 1.030 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000357080765 445413710 /nfs/dbraw/zinc/41/37/10/445413710.db2.gz NEDYDDDGOCQQBL-DLBZAZTESA-N 2 2 339.443 1.030 20 0 EDADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1Br ZINC000357029707 445383818 /nfs/dbraw/zinc/38/38/18/445383818.db2.gz OOWXYQLONHGULV-UHFFFAOYSA-N 2 2 330.226 1.295 20 0 EDADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1Br ZINC000357029707 445383821 /nfs/dbraw/zinc/38/38/21/445383821.db2.gz OOWXYQLONHGULV-UHFFFAOYSA-N 2 2 330.226 1.295 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000359718516 445391042 /nfs/dbraw/zinc/39/10/42/445391042.db2.gz KRLYCVZIVSBALL-OAHLLOKOSA-N 2 2 336.484 1.065 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000359718516 445391044 /nfs/dbraw/zinc/39/10/44/445391044.db2.gz KRLYCVZIVSBALL-OAHLLOKOSA-N 2 2 336.484 1.065 20 0 EDADLP Cc1c[nH+]c(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)n1C ZINC000348921800 445441751 /nfs/dbraw/zinc/44/17/51/445441751.db2.gz OQHSGBHRLSEAKX-UHFFFAOYSA-N 2 2 343.475 1.848 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CCNC(=O)N(C)C)c2cc1C ZINC000348951397 445451776 /nfs/dbraw/zinc/45/17/76/445451776.db2.gz RRKYSWKENCQKIV-OAHLLOKOSA-N 2 2 347.463 1.217 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CCNC(=O)N(C)C)c2cc1C ZINC000348951397 445451781 /nfs/dbraw/zinc/45/17/81/445451781.db2.gz RRKYSWKENCQKIV-OAHLLOKOSA-N 2 2 347.463 1.217 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C2)CC1 ZINC000355313368 445453900 /nfs/dbraw/zinc/45/39/00/445453900.db2.gz HJLKPMZRMUQCLH-MOPGFXCFSA-N 2 2 349.519 1.678 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C2)CC1 ZINC000355313368 445453906 /nfs/dbraw/zinc/45/39/06/445453906.db2.gz HJLKPMZRMUQCLH-MOPGFXCFSA-N 2 2 349.519 1.678 20 0 EDADLP O=S1(=O)CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000362615187 445464669 /nfs/dbraw/zinc/46/46/69/445464669.db2.gz IPMJBNBXMOOUNN-DOTOQJQBSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CCC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000362615187 445464671 /nfs/dbraw/zinc/46/46/71/445464671.db2.gz IPMJBNBXMOOUNN-DOTOQJQBSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000362615187 445464675 /nfs/dbraw/zinc/46/46/75/445464675.db2.gz IPMJBNBXMOOUNN-DOTOQJQBSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000362615187 445464678 /nfs/dbraw/zinc/46/46/78/445464678.db2.gz IPMJBNBXMOOUNN-DOTOQJQBSA-N 2 2 326.506 1.760 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000357183779 445471114 /nfs/dbraw/zinc/47/11/14/445471114.db2.gz YETBWSYNPSFQGT-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000357183779 445471117 /nfs/dbraw/zinc/47/11/17/445471117.db2.gz YETBWSYNPSFQGT-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP CC[N@H+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000349192743 445530824 /nfs/dbraw/zinc/53/08/24/445530824.db2.gz PHSPYCNBBKHQQF-UHFFFAOYSA-N 2 2 327.432 2.079 20 0 EDADLP CC[N@@H+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000349192743 445530829 /nfs/dbraw/zinc/53/08/29/445530829.db2.gz PHSPYCNBBKHQQF-UHFFFAOYSA-N 2 2 327.432 2.079 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000362663568 445485114 /nfs/dbraw/zinc/48/51/14/445485114.db2.gz KZAVSBCBMYAZCK-MRXNPFEDSA-N 2 2 349.862 1.671 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000362663568 445485118 /nfs/dbraw/zinc/48/51/18/445485118.db2.gz KZAVSBCBMYAZCK-MRXNPFEDSA-N 2 2 349.862 1.671 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000359919843 445488754 /nfs/dbraw/zinc/48/87/54/445488754.db2.gz WXRZGWPSQFSDDV-DLBZAZTESA-N 2 2 340.512 1.613 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000359919843 445488757 /nfs/dbraw/zinc/48/87/57/445488757.db2.gz WXRZGWPSQFSDDV-DLBZAZTESA-N 2 2 340.512 1.613 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CCOC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000349064215 445493261 /nfs/dbraw/zinc/49/32/61/445493261.db2.gz ZUSIXHSJYLFLJW-MRXNPFEDSA-N 2 2 348.834 1.658 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000362678706 445494920 /nfs/dbraw/zinc/49/49/20/445494920.db2.gz CIZNPVPUWRIYLY-GOSISDBHSA-N 2 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000362678706 445494922 /nfs/dbraw/zinc/49/49/22/445494922.db2.gz CIZNPVPUWRIYLY-GOSISDBHSA-N 2 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000362836434 445573573 /nfs/dbraw/zinc/57/35/73/445573573.db2.gz GSCSRBAMJLSAHD-KRWDZBQOSA-N 2 2 329.444 1.060 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000362836434 445573575 /nfs/dbraw/zinc/57/35/75/445573575.db2.gz GSCSRBAMJLSAHD-KRWDZBQOSA-N 2 2 329.444 1.060 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000357308216 445539628 /nfs/dbraw/zinc/53/96/28/445539628.db2.gz SMKXCHWVILLGSW-RDJZCZTQSA-N 2 2 342.443 1.873 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(=O)[nH]n1 ZINC000353455062 445610227 /nfs/dbraw/zinc/61/02/27/445610227.db2.gz OBTOHCRPEGSFRM-AWEZNQCLSA-N 2 2 328.416 1.865 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)Cc1ccccc1 ZINC000356098822 445620614 /nfs/dbraw/zinc/62/06/14/445620614.db2.gz QKYKGSSLNYAKKN-SFHVURJKSA-N 2 2 333.476 1.074 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)Cc1ccccc1 ZINC000356098822 445620617 /nfs/dbraw/zinc/62/06/17/445620617.db2.gz QKYKGSSLNYAKKN-SFHVURJKSA-N 2 2 333.476 1.074 20 0 EDADLP COC[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000360152690 445597211 /nfs/dbraw/zinc/59/72/11/445597211.db2.gz WQKPCVSBLSRWKK-LSDHHAIUSA-N 2 2 325.497 1.580 20 0 EDADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000363014075 445649187 /nfs/dbraw/zinc/64/91/87/445649187.db2.gz RPCFRXUKEYMDHK-WFASDCNBSA-N 2 2 326.437 1.976 20 0 EDADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000363014075 445649190 /nfs/dbraw/zinc/64/91/90/445649190.db2.gz RPCFRXUKEYMDHK-WFASDCNBSA-N 2 2 326.437 1.976 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000356216555 445681001 /nfs/dbraw/zinc/68/10/01/445681001.db2.gz ADBSPHINTDLVNV-UHFFFAOYSA-N 2 2 340.512 1.472 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)CC(C)C ZINC000356287680 445719353 /nfs/dbraw/zinc/71/93/53/445719353.db2.gz ZDHMLZQEBMWKJW-SJORKVTESA-N 2 2 342.528 1.763 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)CC(C)C ZINC000356287680 445719354 /nfs/dbraw/zinc/71/93/54/445719354.db2.gz ZDHMLZQEBMWKJW-SJORKVTESA-N 2 2 342.528 1.763 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000358678177 445711492 /nfs/dbraw/zinc/71/14/92/445711492.db2.gz HHCPSUDUHICTDV-WDSOQIARSA-N 2 2 345.487 1.873 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000349907203 445717916 /nfs/dbraw/zinc/71/79/16/445717916.db2.gz YEZGSDLFBVNCNS-HNNXBMFYSA-N 2 2 335.452 1.129 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000349907203 445717919 /nfs/dbraw/zinc/71/79/19/445717919.db2.gz YEZGSDLFBVNCNS-HNNXBMFYSA-N 2 2 335.452 1.129 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358721458 445742102 /nfs/dbraw/zinc/74/21/02/445742102.db2.gz WVELBNQFQVILCZ-JJTUDDRGSA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000358721458 445742103 /nfs/dbraw/zinc/74/21/03/445742103.db2.gz WVELBNQFQVILCZ-JJTUDDRGSA-N 2 2 325.497 1.671 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1 ZINC000361106194 445748460 /nfs/dbraw/zinc/74/84/60/445748460.db2.gz DRGBLUCGYHHFBN-YOEHRIQHSA-N 2 2 345.491 1.213 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1 ZINC000361106194 445748462 /nfs/dbraw/zinc/74/84/62/445748462.db2.gz DRGBLUCGYHHFBN-YOEHRIQHSA-N 2 2 345.491 1.213 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000363304155 445758776 /nfs/dbraw/zinc/75/87/76/445758776.db2.gz ZQIACIXJHWINDO-QGZVFWFLSA-N 2 2 336.524 1.347 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000363304155 445758777 /nfs/dbraw/zinc/75/87/77/445758777.db2.gz ZQIACIXJHWINDO-QGZVFWFLSA-N 2 2 336.524 1.347 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)c1ccccc1C[NH+]1CCOCC1 ZINC000350079549 445763883 /nfs/dbraw/zinc/76/38/83/445763883.db2.gz NGWLHWFHUZEBOY-UHFFFAOYSA-N 2 2 329.444 1.511 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)c1ccccc1C[NH+]1CCOCC1 ZINC000350079549 445763885 /nfs/dbraw/zinc/76/38/85/445763885.db2.gz NGWLHWFHUZEBOY-UHFFFAOYSA-N 2 2 329.444 1.511 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353954053 445826037 /nfs/dbraw/zinc/82/60/37/445826037.db2.gz IBKOJOWBJNTFEW-OHRKKDJYSA-N 2 2 333.480 1.463 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353954053 445826040 /nfs/dbraw/zinc/82/60/40/445826040.db2.gz IBKOJOWBJNTFEW-OHRKKDJYSA-N 2 2 333.480 1.463 20 0 EDADLP CC(C)N1CC[C@@H]([N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000363466144 445815187 /nfs/dbraw/zinc/81/51/87/445815187.db2.gz CIFVXIOGDJYDPF-GOSISDBHSA-N 2 2 330.476 1.987 20 0 EDADLP CC(C)N1CC[C@@H]([N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000363466144 445815188 /nfs/dbraw/zinc/81/51/88/445815188.db2.gz CIFVXIOGDJYDPF-GOSISDBHSA-N 2 2 330.476 1.987 20 0 EDADLP CO[C@@H]1CC[C@@H](NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000350559458 445849850 /nfs/dbraw/zinc/84/98/50/445849850.db2.gz RKDHGPLWKBQUAW-ZMSDIMECSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CC[C@@H](NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000350559458 445849852 /nfs/dbraw/zinc/84/98/52/445849852.db2.gz RKDHGPLWKBQUAW-ZMSDIMECSA-N 2 2 338.496 1.364 20 0 EDADLP Cc1cccc(NC2CCN(C(=O)[C@H](C)N3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000363548369 445853911 /nfs/dbraw/zinc/85/39/11/445853911.db2.gz VPIRAXCNOKUDRO-INIZCTEOSA-N 2 2 345.491 1.429 20 0 EDADLP Cc1cccc(NC2CCN(C(=O)[C@H](C)[NH+]3CCN(C)CC3)CC2)[nH+]1 ZINC000363548369 445853918 /nfs/dbraw/zinc/85/39/18/445853918.db2.gz VPIRAXCNOKUDRO-INIZCTEOSA-N 2 2 345.491 1.429 20 0 EDADLP CCOc1ncnc2c1C[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000369101407 445929565 /nfs/dbraw/zinc/92/95/65/445929565.db2.gz WXIMCHNWPIZKEK-UHFFFAOYSA-N 2 2 347.507 1.650 20 0 EDADLP CCOc1ncnc2c1C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000369101407 445929571 /nfs/dbraw/zinc/92/95/71/445929571.db2.gz WXIMCHNWPIZKEK-UHFFFAOYSA-N 2 2 347.507 1.650 20 0 EDADLP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cc2)CC1 ZINC000364830112 445959853 /nfs/dbraw/zinc/95/98/53/445959853.db2.gz JOJAJXCIDDRHEP-HNNXBMFYSA-N 2 2 338.402 1.764 20 0 EDADLP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cc2)CC1 ZINC000364830112 445959858 /nfs/dbraw/zinc/95/98/58/445959858.db2.gz JOJAJXCIDDRHEP-HNNXBMFYSA-N 2 2 338.402 1.764 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000359135243 445973164 /nfs/dbraw/zinc/97/31/64/445973164.db2.gz DSQIBMXHPMSIRU-SWLSCSKDSA-N 2 2 341.452 1.405 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000359135243 445973168 /nfs/dbraw/zinc/97/31/68/445973168.db2.gz DSQIBMXHPMSIRU-SWLSCSKDSA-N 2 2 341.452 1.405 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n(C)c1C ZINC000366066976 445991580 /nfs/dbraw/zinc/99/15/80/445991580.db2.gz HCSACJCIJZUVST-GDBMZVCRSA-N 2 2 335.448 1.463 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n(C)c1C ZINC000366066976 445991586 /nfs/dbraw/zinc/99/15/86/445991586.db2.gz HCSACJCIJZUVST-GDBMZVCRSA-N 2 2 335.448 1.463 20 0 EDADLP C[N@@H+]1CCCC12CCN(c1cc(N3CCCC[C@@H]3CO)[nH+]cn1)CC2 ZINC000365055061 445995423 /nfs/dbraw/zinc/99/54/23/445995423.db2.gz TVHVUANMQFCNAG-MRXNPFEDSA-N 2 2 345.491 1.892 20 0 EDADLP C[N@H+]1CCCC12CCN(c1cc(N3CCCC[C@@H]3CO)[nH+]cn1)CC2 ZINC000365055061 445995428 /nfs/dbraw/zinc/99/54/28/445995428.db2.gz TVHVUANMQFCNAG-MRXNPFEDSA-N 2 2 345.491 1.892 20 0 EDADLP C[N@@H+]1CCCC12CCN(c1cc(N3CCCC[C@@H]3CO)nc[nH+]1)CC2 ZINC000365055061 445995430 /nfs/dbraw/zinc/99/54/30/445995430.db2.gz TVHVUANMQFCNAG-MRXNPFEDSA-N 2 2 345.491 1.892 20 0 EDADLP C[N@H+]1CCCC12CCN(c1cc(N3CCCC[C@@H]3CO)nc[nH+]1)CC2 ZINC000365055061 445995438 /nfs/dbraw/zinc/99/54/38/445995438.db2.gz TVHVUANMQFCNAG-MRXNPFEDSA-N 2 2 345.491 1.892 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000366129313 446031508 /nfs/dbraw/zinc/03/15/08/446031508.db2.gz OMAWUJLPMPOURR-HNNXBMFYSA-N 2 2 347.463 1.021 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000366129313 446031512 /nfs/dbraw/zinc/03/15/12/446031512.db2.gz OMAWUJLPMPOURR-HNNXBMFYSA-N 2 2 347.463 1.021 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000373113121 446035817 /nfs/dbraw/zinc/03/58/17/446035817.db2.gz RQGPHCONGBRAGY-CQSZACIVSA-N 2 2 345.451 1.590 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)CC1 ZINC000369274511 446041607 /nfs/dbraw/zinc/04/16/07/446041607.db2.gz PUZLAJCWYHVZOK-MAUKXSAKSA-N 2 2 329.444 1.275 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3Cc4ccccc4O3)C2)CC1 ZINC000369274511 446041610 /nfs/dbraw/zinc/04/16/10/446041610.db2.gz PUZLAJCWYHVZOK-MAUKXSAKSA-N 2 2 329.444 1.275 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)Cc1ccc(OC)c(F)c1 ZINC000583321523 326049871 /nfs/dbraw/zinc/04/98/71/326049871.db2.gz OKADESODLNIRDA-IVMMDQJWSA-N 2 2 337.439 1.279 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)Cc1ccc(OC)c(F)c1 ZINC000583321523 326049873 /nfs/dbraw/zinc/04/98/73/326049873.db2.gz OKADESODLNIRDA-IVMMDQJWSA-N 2 2 337.439 1.279 20 0 EDADLP Cc1[nH+]c(-c2ccncc2)nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000584034624 326186111 /nfs/dbraw/zinc/18/61/11/326186111.db2.gz WXEOKIIBZHKLNX-CALCHBBNSA-N 2 2 339.443 1.852 20 0 EDADLP Cc1[nH+]c(-c2ccncc2)nc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000584034624 326186112 /nfs/dbraw/zinc/18/61/12/326186112.db2.gz WXEOKIIBZHKLNX-CALCHBBNSA-N 2 2 339.443 1.852 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000584162016 326210992 /nfs/dbraw/zinc/21/09/92/326210992.db2.gz XONZVTSDPOBGLK-GOEBONIOSA-N 2 2 327.432 1.808 20 0 EDADLP Cc1csc(=O)n1CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373174777 446073516 /nfs/dbraw/zinc/07/35/16/446073516.db2.gz COBSEDRSPDOIRS-CQSZACIVSA-N 2 2 338.521 1.319 20 0 EDADLP Cc1csc(=O)n1CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373174777 446073524 /nfs/dbraw/zinc/07/35/24/446073524.db2.gz COBSEDRSPDOIRS-CQSZACIVSA-N 2 2 338.521 1.319 20 0 EDADLP Cc1csc(=O)n1CCN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373174777 446073531 /nfs/dbraw/zinc/07/35/31/446073531.db2.gz COBSEDRSPDOIRS-CQSZACIVSA-N 2 2 338.521 1.319 20 0 EDADLP Cc1csc(=O)n1CCN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373174777 446073537 /nfs/dbraw/zinc/07/35/37/446073537.db2.gz COBSEDRSPDOIRS-CQSZACIVSA-N 2 2 338.521 1.319 20 0 EDADLP CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC000361990616 446133262 /nfs/dbraw/zinc/13/32/62/446133262.db2.gz PRFUUKSVYZXONF-QGZVFWFLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000366220845 446090056 /nfs/dbraw/zinc/09/00/56/446090056.db2.gz WCTSCGHLPFGFPT-JQFCIGGWSA-N 2 2 328.420 1.176 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000366220845 446090057 /nfs/dbraw/zinc/09/00/57/446090057.db2.gz WCTSCGHLPFGFPT-JQFCIGGWSA-N 2 2 328.420 1.176 20 0 EDADLP CC[C@@H]1C[C@H](CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000359259497 446094709 /nfs/dbraw/zinc/09/47/09/446094709.db2.gz JVIBAOYHCSTMOP-NVXWUHKLSA-N 2 2 325.497 1.724 20 0 EDADLP O=C1C[C@H]([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207267 446095989 /nfs/dbraw/zinc/09/59/89/446095989.db2.gz WGIWTAFPPJLQFX-LOWDOPEQSA-N 2 2 345.365 1.092 20 0 EDADLP O=C1C[C@H]([N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207267 446095992 /nfs/dbraw/zinc/09/59/92/446095992.db2.gz WGIWTAFPPJLQFX-LOWDOPEQSA-N 2 2 345.365 1.092 20 0 EDADLP O=C1C[C@H]([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207267 446095996 /nfs/dbraw/zinc/09/59/96/446095996.db2.gz WGIWTAFPPJLQFX-LOWDOPEQSA-N 2 2 345.365 1.092 20 0 EDADLP O=C1C[C@H]([NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207267 446095997 /nfs/dbraw/zinc/09/59/97/446095997.db2.gz WGIWTAFPPJLQFX-LOWDOPEQSA-N 2 2 345.365 1.092 20 0 EDADLP CC(C)[C@H]1C[C@@H](CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000359269021 446106567 /nfs/dbraw/zinc/10/65/67/446106567.db2.gz VFCLDEURKBCGJL-FUHWJXTLSA-N 2 2 339.524 1.970 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000365261433 446109775 /nfs/dbraw/zinc/10/97/75/446109775.db2.gz XJJDGOVBHPFHOA-GJZGRUSLSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000365261433 446109779 /nfs/dbraw/zinc/10/97/79/446109779.db2.gz XJJDGOVBHPFHOA-GJZGRUSLSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)C[N@@H+]1C1CC1 ZINC000366279944 446125318 /nfs/dbraw/zinc/12/53/18/446125318.db2.gz GSJWTZAGSNIRDO-LSDHHAIUSA-N 2 2 348.491 1.846 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)C[N@H+]1C1CC1 ZINC000366279944 446125323 /nfs/dbraw/zinc/12/53/23/446125323.db2.gz GSJWTZAGSNIRDO-LSDHHAIUSA-N 2 2 348.491 1.846 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000366283781 446126233 /nfs/dbraw/zinc/12/62/33/446126233.db2.gz PDVPJIWKDPJBDJ-HOTGVXAUSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366283781 446126242 /nfs/dbraw/zinc/12/62/42/446126242.db2.gz PDVPJIWKDPJBDJ-HOTGVXAUSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366283781 446126248 /nfs/dbraw/zinc/12/62/48/446126248.db2.gz PDVPJIWKDPJBDJ-HOTGVXAUSA-N 2 2 338.496 1.269 20 0 EDADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H](F)C[NH+]1Cc1c(C)noc1C ZINC000351579331 446176675 /nfs/dbraw/zinc/17/66/75/446176675.db2.gz BNPIBAOGMMCYIX-LSDHHAIUSA-N 2 2 340.443 1.662 20 0 EDADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[C@H](F)C[NH+]1Cc1c(C)noc1C ZINC000351579331 446176679 /nfs/dbraw/zinc/17/66/79/446176679.db2.gz BNPIBAOGMMCYIX-LSDHHAIUSA-N 2 2 340.443 1.662 20 0 EDADLP CCC[NH+](C)CC(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000351579331 446176681 /nfs/dbraw/zinc/17/66/81/446176681.db2.gz BNPIBAOGMMCYIX-LSDHHAIUSA-N 2 2 340.443 1.662 20 0 EDADLP CCC[NH+](C)CC(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000351579331 446176684 /nfs/dbraw/zinc/17/66/84/446176684.db2.gz BNPIBAOGMMCYIX-LSDHHAIUSA-N 2 2 340.443 1.662 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000354423965 446193555 /nfs/dbraw/zinc/19/35/55/446193555.db2.gz ZQMBXNOGVCRSTR-GOSISDBHSA-N 2 2 341.459 1.747 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000354423965 446193559 /nfs/dbraw/zinc/19/35/59/446193559.db2.gz ZQMBXNOGVCRSTR-GOSISDBHSA-N 2 2 341.459 1.747 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC[N@@H+]1CCOC ZINC000354415974 446189779 /nfs/dbraw/zinc/18/97/79/446189779.db2.gz AXYDNJFVHVVUGX-HOTGVXAUSA-N 2 2 334.464 1.323 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC[N@H+]1CCOC ZINC000354415974 446189782 /nfs/dbraw/zinc/18/97/82/446189782.db2.gz AXYDNJFVHVVUGX-HOTGVXAUSA-N 2 2 334.464 1.323 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000365325920 446147823 /nfs/dbraw/zinc/14/78/23/446147823.db2.gz JJKNQEVOEPYQDR-IAGOWNOFSA-N 2 2 326.400 1.465 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000365325920 446147830 /nfs/dbraw/zinc/14/78/30/446147830.db2.gz JJKNQEVOEPYQDR-IAGOWNOFSA-N 2 2 326.400 1.465 20 0 EDADLP C[C@H]1C[C@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000356955398 446156024 /nfs/dbraw/zinc/15/60/24/446156024.db2.gz QGJOPWHCQRTCTR-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H]1C[C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000356955398 446156032 /nfs/dbraw/zinc/15/60/32/446156032.db2.gz QGJOPWHCQRTCTR-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000365458206 446217086 /nfs/dbraw/zinc/21/70/86/446217086.db2.gz DGWWQUNSMPPOBY-BRWVUGGUSA-N 2 2 345.491 1.891 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000365458206 446217093 /nfs/dbraw/zinc/21/70/93/446217093.db2.gz DGWWQUNSMPPOBY-BRWVUGGUSA-N 2 2 345.491 1.891 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000366581347 446267492 /nfs/dbraw/zinc/26/74/92/446267492.db2.gz MQJLMKHIIMLDNG-HOTGVXAUSA-N 2 2 349.479 1.860 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000366581347 446267496 /nfs/dbraw/zinc/26/74/96/446267496.db2.gz MQJLMKHIIMLDNG-HOTGVXAUSA-N 2 2 349.479 1.860 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1C[N@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000366687469 446310404 /nfs/dbraw/zinc/31/04/04/446310404.db2.gz LIQKAJHYZRCRGB-NOLJZWGESA-N 2 2 331.464 1.851 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1C[N@@H+](C3CC3)C[C@@H]1C)CCC2 ZINC000366687469 446310408 /nfs/dbraw/zinc/31/04/08/446310408.db2.gz LIQKAJHYZRCRGB-NOLJZWGESA-N 2 2 331.464 1.851 20 0 EDADLP C[NH+]1CCC2(CCCN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C2)CC1 ZINC000374163739 446355511 /nfs/dbraw/zinc/35/55/11/446355511.db2.gz PWBNJAAEOFJTCG-GOSISDBHSA-N 2 2 349.519 1.822 20 0 EDADLP C[NH+]1CCC2(CCCN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C2)CC1 ZINC000374163739 446355512 /nfs/dbraw/zinc/35/55/12/446355512.db2.gz PWBNJAAEOFJTCG-GOSISDBHSA-N 2 2 349.519 1.822 20 0 EDADLP C[C@H]1CN(C(=O)NC2CCSCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376151965 446356752 /nfs/dbraw/zinc/35/67/52/446356752.db2.gz SPMKKKYPKURNEX-AWEZNQCLSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417955569 446399364 /nfs/dbraw/zinc/39/93/64/446399364.db2.gz RGTVVCWKMATGRK-COLVAYQJSA-N 2 2 326.391 1.747 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417955569 446399369 /nfs/dbraw/zinc/39/93/69/446399369.db2.gz RGTVVCWKMATGRK-COLVAYQJSA-N 2 2 326.391 1.747 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417534543 446362455 /nfs/dbraw/zinc/36/24/55/446362455.db2.gz ZHJJUMHLAVLZDU-OAHLLOKOSA-N 2 2 326.485 1.319 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417534543 446362458 /nfs/dbraw/zinc/36/24/58/446362458.db2.gz ZHJJUMHLAVLZDU-OAHLLOKOSA-N 2 2 326.485 1.319 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000417891143 446376540 /nfs/dbraw/zinc/37/65/40/446376540.db2.gz QNVSZEHYHHMPIH-KGLIPLIRSA-N 2 2 332.439 1.508 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000417891143 446376541 /nfs/dbraw/zinc/37/65/41/446376541.db2.gz QNVSZEHYHHMPIH-KGLIPLIRSA-N 2 2 332.439 1.508 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000366844201 446379019 /nfs/dbraw/zinc/37/90/19/446379019.db2.gz QLQGOMBZYJDFNV-IUODEOHRSA-N 2 2 342.374 1.681 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000366844201 446379024 /nfs/dbraw/zinc/37/90/24/446379024.db2.gz QLQGOMBZYJDFNV-IUODEOHRSA-N 2 2 342.374 1.681 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374786866 446393609 /nfs/dbraw/zinc/39/36/09/446393609.db2.gz CIGKNRVWPIOYAG-NHZBNJEXSA-N 2 2 344.459 1.427 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/c2cncc(O)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374786866 446393612 /nfs/dbraw/zinc/39/36/12/446393612.db2.gz CIGKNRVWPIOYAG-NHZBNJEXSA-N 2 2 344.459 1.427 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000370596428 446349414 /nfs/dbraw/zinc/34/94/14/446349414.db2.gz HBXCMLWARGRULW-KBPBESRZSA-N 2 2 334.464 1.608 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCO[C@H](C[NH3+])C2)nc[nH+]1 ZINC000420244989 446428502 /nfs/dbraw/zinc/42/85/02/446428502.db2.gz RIQBVFRIAAAHLG-KEYYUXOJSA-N 2 2 335.452 1.256 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCO[C@H](C[NH3+])C2)[nH+]cn1 ZINC000420244989 446428508 /nfs/dbraw/zinc/42/85/08/446428508.db2.gz RIQBVFRIAAAHLG-KEYYUXOJSA-N 2 2 335.452 1.256 20 0 EDADLP c1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(OC[C@H]2CCOC2)cn1 ZINC000423129222 446432429 /nfs/dbraw/zinc/43/24/29/446432429.db2.gz QWKQPIKWMIDWEG-GDIGMMSISA-N 2 2 347.459 1.354 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420287525 446452641 /nfs/dbraw/zinc/45/26/41/446452641.db2.gz IAJDKFJJAIWHEF-RYQLBKOJSA-N 3 2 332.492 1.465 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420287525 446452645 /nfs/dbraw/zinc/45/26/45/446452645.db2.gz IAJDKFJJAIWHEF-RYQLBKOJSA-N 3 2 332.492 1.465 20 0 EDADLP C[C@H]([NH2+]CCn1cc(Br)ccc1=O)[C@@H]1CCCC[NH2+]1 ZINC000423146050 446440741 /nfs/dbraw/zinc/44/07/41/446440741.db2.gz NRCGJCPYEVOVTD-AAEUAGOBSA-N 2 2 328.254 1.731 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NC[C@H]3CC[C@H](C[NH3+])CC3)[nH+]cn2)C1 ZINC000420271103 446442115 /nfs/dbraw/zinc/44/21/15/446442115.db2.gz ZKPGTNMOJOKBOH-FPCVCCKLSA-N 2 2 333.480 1.861 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NC[C@H]3CC[C@H](C[NH3+])CC3)nc[nH+]2)C1 ZINC000420271103 446442122 /nfs/dbraw/zinc/44/21/22/446442122.db2.gz ZKPGTNMOJOKBOH-FPCVCCKLSA-N 2 2 333.480 1.861 20 0 EDADLP CC(C)c1nc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)nc(N(C)C)[nH+]1 ZINC000420273823 446442449 /nfs/dbraw/zinc/44/24/49/446442449.db2.gz DJEPVSYBIUAWFV-HUUCEWRRSA-N 2 2 348.495 1.784 20 0 EDADLP CC(C)c1nc(N(C)C)nc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)[nH+]1 ZINC000420273823 446442454 /nfs/dbraw/zinc/44/24/54/446442454.db2.gz DJEPVSYBIUAWFV-HUUCEWRRSA-N 2 2 348.495 1.784 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411255322 446447733 /nfs/dbraw/zinc/44/77/33/446447733.db2.gz PCNHASVPIBQIBX-CQSZACIVSA-N 2 2 329.404 1.071 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411255322 446447738 /nfs/dbraw/zinc/44/77/38/446447738.db2.gz PCNHASVPIBQIBX-CQSZACIVSA-N 2 2 329.404 1.071 20 0 EDADLP COCC[C@]1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[NH2+]C1 ZINC000370755663 446417736 /nfs/dbraw/zinc/41/77/36/446417736.db2.gz FMGOQWLABHTNDS-GOSISDBHSA-N 2 2 330.432 1.477 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)ccc1C[NH+](C)C ZINC000411191952 446422793 /nfs/dbraw/zinc/42/27/93/446422793.db2.gz KWVKIMHNWJPPBF-UHFFFAOYSA-N 2 2 344.459 1.302 20 0 EDADLP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420290944 446454285 /nfs/dbraw/zinc/45/42/85/446454285.db2.gz JVEMNFSXHKWYLM-LBPRGKRZSA-N 2 2 338.839 1.018 20 0 EDADLP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420290944 446454286 /nfs/dbraw/zinc/45/42/86/446454286.db2.gz JVEMNFSXHKWYLM-LBPRGKRZSA-N 2 2 338.839 1.018 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000420300039 446462358 /nfs/dbraw/zinc/46/23/58/446462358.db2.gz GYMSVRXPQHSTCU-MJGOQNOKSA-N 2 2 339.439 1.650 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000420300039 446462363 /nfs/dbraw/zinc/46/23/63/446462363.db2.gz GYMSVRXPQHSTCU-MJGOQNOKSA-N 2 2 339.439 1.650 20 0 EDADLP CCNc1nc(N2CCC[C@H]([NH+](C)C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000376387274 446468909 /nfs/dbraw/zinc/46/89/09/446468909.db2.gz URRMVUVDMCPFSP-ZDUSSCGKSA-N 2 2 335.500 1.856 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000376387274 446468916 /nfs/dbraw/zinc/46/89/16/446468916.db2.gz URRMVUVDMCPFSP-ZDUSSCGKSA-N 2 2 335.500 1.856 20 0 EDADLP CN(C(=O)c1ccnc(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370846046 446478419 /nfs/dbraw/zinc/47/84/19/446478419.db2.gz WJTSPNFPDKKTSS-HNNXBMFYSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1ccnc(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370846046 446478425 /nfs/dbraw/zinc/47/84/25/446478425.db2.gz WJTSPNFPDKKTSS-HNNXBMFYSA-N 2 2 336.867 1.976 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3[NH2+]CCCC3(C)C)c[nH+]2)CCO1 ZINC000423323341 446488191 /nfs/dbraw/zinc/48/81/91/446488191.db2.gz HEZRHGMSYGWCOP-RHSMWYFYSA-N 2 2 346.475 1.701 20 0 EDADLP CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000420322920 446489783 /nfs/dbraw/zinc/48/97/83/446489783.db2.gz STLLWHAEZDZSFU-CABCVRRESA-N 2 2 326.462 1.247 20 0 EDADLP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000420322920 446489787 /nfs/dbraw/zinc/48/97/87/446489787.db2.gz STLLWHAEZDZSFU-CABCVRRESA-N 2 2 326.462 1.247 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000376429566 446491500 /nfs/dbraw/zinc/49/15/00/446491500.db2.gz UTYRZVGCHFKHFS-CYBMUJFWSA-N 2 2 341.415 1.337 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000376429566 446491508 /nfs/dbraw/zinc/49/15/08/446491508.db2.gz UTYRZVGCHFKHFS-CYBMUJFWSA-N 2 2 341.415 1.337 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)[N@@H+]1CCc2sccc2C1 ZINC000423340148 446496088 /nfs/dbraw/zinc/49/60/88/446496088.db2.gz XCWRXQJKHPQONG-QMTHXVAHSA-N 2 2 336.486 1.767 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)[N@H+]1CCc2sccc2C1 ZINC000423340148 446496093 /nfs/dbraw/zinc/49/60/93/446496093.db2.gz XCWRXQJKHPQONG-QMTHXVAHSA-N 2 2 336.486 1.767 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000367058252 446495034 /nfs/dbraw/zinc/49/50/34/446495034.db2.gz RKEOCYZDFOMSSN-MRXNPFEDSA-N 2 2 340.427 1.877 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000423388640 446514118 /nfs/dbraw/zinc/51/41/18/446514118.db2.gz NAZIBZJXWQSNKN-DOMZBBRYSA-N 2 2 325.478 1.763 20 0 EDADLP CC(C)NC(=O)CC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375015687 446515189 /nfs/dbraw/zinc/51/51/89/446515189.db2.gz WLUCOFHJNPOFLB-UHFFFAOYSA-N 2 2 332.492 1.935 20 0 EDADLP CC(C)NC(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375015687 446515196 /nfs/dbraw/zinc/51/51/96/446515196.db2.gz WLUCOFHJNPOFLB-UHFFFAOYSA-N 2 2 332.492 1.935 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420329791 446499130 /nfs/dbraw/zinc/49/91/30/446499130.db2.gz OYTUDXFCBFEAEO-CQSZACIVSA-N 2 2 333.432 1.321 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420329791 446499135 /nfs/dbraw/zinc/49/91/35/446499135.db2.gz OYTUDXFCBFEAEO-CQSZACIVSA-N 2 2 333.432 1.321 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCc4c3cnn4CCO)n2c1 ZINC000370889715 446499651 /nfs/dbraw/zinc/49/96/51/446499651.db2.gz YVNDOITVOWWQEO-MRXNPFEDSA-N 2 2 325.416 1.999 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000418480934 446560177 /nfs/dbraw/zinc/56/01/77/446560177.db2.gz CYOFWXLYVDXBOQ-XKQJLSEDSA-N 2 2 332.448 1.321 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000418480934 446560183 /nfs/dbraw/zinc/56/01/83/446560183.db2.gz CYOFWXLYVDXBOQ-XKQJLSEDSA-N 2 2 332.448 1.321 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000418483797 446561550 /nfs/dbraw/zinc/56/15/50/446561550.db2.gz FYIUSQZSNBXIAH-INIZCTEOSA-N 2 2 346.475 1.138 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420390417 446565777 /nfs/dbraw/zinc/56/57/77/446565777.db2.gz NFNQKKWIAYVSRF-WOSRLPQWSA-N 2 2 339.867 1.955 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420390417 446565783 /nfs/dbraw/zinc/56/57/83/446565783.db2.gz NFNQKKWIAYVSRF-WOSRLPQWSA-N 2 2 339.867 1.955 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420391406 446566709 /nfs/dbraw/zinc/56/67/09/446566709.db2.gz AUAFBIQCXDQVOK-OCCSQVGLSA-N 2 2 339.867 1.882 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420391406 446566717 /nfs/dbraw/zinc/56/67/17/446566717.db2.gz AUAFBIQCXDQVOK-OCCSQVGLSA-N 2 2 339.867 1.882 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418399338 446529801 /nfs/dbraw/zinc/52/98/01/446529801.db2.gz XAHVJZFXSLDYOY-SZMVWBNQSA-N 2 2 348.491 1.555 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418399338 446529812 /nfs/dbraw/zinc/52/98/12/446529812.db2.gz XAHVJZFXSLDYOY-SZMVWBNQSA-N 2 2 348.491 1.555 20 0 EDADLP Oc1cccc2c1C[C@H]([NH2+]C1CCN(CC[NH+]3CCOCC3)CC1)C2 ZINC000433032123 446530407 /nfs/dbraw/zinc/53/04/07/446530407.db2.gz LBNPNSPJHRNJEN-GOSISDBHSA-N 2 2 345.487 1.246 20 0 EDADLP Oc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CCN3CCOCC3)CC1)C2 ZINC000433032123 446530412 /nfs/dbraw/zinc/53/04/12/446530412.db2.gz LBNPNSPJHRNJEN-GOSISDBHSA-N 2 2 345.487 1.246 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420353084 446531099 /nfs/dbraw/zinc/53/10/99/446531099.db2.gz AETFEPWVVVXEIB-SJLPKXTDSA-N 2 2 346.475 1.087 20 0 EDADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)CO2 ZINC000453085704 446542400 /nfs/dbraw/zinc/54/24/00/446542400.db2.gz MZPYIUUNHNGYNN-AEFFLSMTSA-N 2 2 334.460 1.945 20 0 EDADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)CO2 ZINC000453085704 446542407 /nfs/dbraw/zinc/54/24/07/446542407.db2.gz MZPYIUUNHNGYNN-AEFFLSMTSA-N 2 2 334.460 1.945 20 0 EDADLP COC(=O)c1cncnc1NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000367427280 446544044 /nfs/dbraw/zinc/54/40/44/446544044.db2.gz XVWSOZAWZMPTFK-UHFFFAOYSA-N 2 2 347.463 1.625 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367425175 446544878 /nfs/dbraw/zinc/54/48/78/446544878.db2.gz BKIAJOQLDXIJKD-CVEARBPZSA-N 2 2 334.464 1.718 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420374284 446553476 /nfs/dbraw/zinc/55/34/76/446553476.db2.gz HJTXFSOUCKKNDR-HZPDHXFCSA-N 2 2 349.475 1.497 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420374284 446553484 /nfs/dbraw/zinc/55/34/84/446553484.db2.gz HJTXFSOUCKKNDR-HZPDHXFCSA-N 2 2 349.475 1.497 20 0 EDADLP CCC[NH2+]CCNC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418469626 446556188 /nfs/dbraw/zinc/55/61/88/446556188.db2.gz IMEHWRJZILELBA-ROUUACIJSA-N 2 2 348.491 1.699 20 0 EDADLP CCC[NH2+]CCNC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418469626 446556195 /nfs/dbraw/zinc/55/61/95/446556195.db2.gz IMEHWRJZILELBA-ROUUACIJSA-N 2 2 348.491 1.699 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000420397025 446569760 /nfs/dbraw/zinc/56/97/60/446569760.db2.gz FTYCWKOWFPUNIU-SMDDNHRTSA-N 2 2 335.448 1.908 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1C ZINC000420397025 446569771 /nfs/dbraw/zinc/56/97/71/446569771.db2.gz FTYCWKOWFPUNIU-SMDDNHRTSA-N 2 2 335.448 1.908 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420409110 446582990 /nfs/dbraw/zinc/58/29/90/446582990.db2.gz XMGZMIKAAGLUMQ-JTQLQIEISA-N 2 2 329.803 1.592 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418621632 446618905 /nfs/dbraw/zinc/61/89/05/446618905.db2.gz SYMOGHXICUUSAF-BHYGNILZSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418621632 446618909 /nfs/dbraw/zinc/61/89/09/446618909.db2.gz SYMOGHXICUUSAF-BHYGNILZSA-N 3 2 339.528 1.312 20 0 EDADLP C[C@H]1CC[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420414075 446587865 /nfs/dbraw/zinc/58/78/65/446587865.db2.gz UHJKFRPLGJMNHJ-UONOGXRCSA-N 2 2 326.462 1.386 20 0 EDADLP C[C@H]1CC[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420414075 446587868 /nfs/dbraw/zinc/58/78/68/446587868.db2.gz UHJKFRPLGJMNHJ-UONOGXRCSA-N 2 2 326.462 1.386 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC[C@H]1CCC[NH2+]1)CC2 ZINC000423583178 446588040 /nfs/dbraw/zinc/58/80/40/446588040.db2.gz JFVSBNRFETXAQI-MRXNPFEDSA-N 2 2 347.459 1.320 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC[C@H]1CCC[NH2+]1)CC2 ZINC000423583178 446588048 /nfs/dbraw/zinc/58/80/48/446588048.db2.gz JFVSBNRFETXAQI-MRXNPFEDSA-N 2 2 347.459 1.320 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418547834 446589158 /nfs/dbraw/zinc/58/91/58/446589158.db2.gz JWJPVOYXNZWPLG-LSDHHAIUSA-N 2 2 347.463 1.582 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)C2=O)c1 ZINC000420416913 446589927 /nfs/dbraw/zinc/58/99/27/446589927.db2.gz WBBRTKHELGDRSR-LBTNJELSSA-N 2 2 347.459 1.726 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)C2=O)c1 ZINC000420416913 446589932 /nfs/dbraw/zinc/58/99/32/446589932.db2.gz WBBRTKHELGDRSR-LBTNJELSSA-N 2 2 347.459 1.726 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000418619416 446619235 /nfs/dbraw/zinc/61/92/35/446619235.db2.gz OSOFQIIDNJBLES-STQMWFEESA-N 2 2 326.466 1.110 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CCn3cc[nH+]c3C2)[nH+]cn1 ZINC000433785570 446598603 /nfs/dbraw/zinc/59/86/03/446598603.db2.gz SCBRQLIEUDVLCD-KBPBESRZSA-N 2 2 328.420 1.451 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CCn3cc[nH+]c3C2)nc[nH+]1 ZINC000433785570 446598610 /nfs/dbraw/zinc/59/86/10/446598610.db2.gz SCBRQLIEUDVLCD-KBPBESRZSA-N 2 2 328.420 1.451 20 0 EDADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCC(=O)NC(N)=O ZINC000411549801 446598765 /nfs/dbraw/zinc/59/87/65/446598765.db2.gz HZCPZYOKJJNZNN-INIZCTEOSA-N 2 2 346.475 1.634 20 0 EDADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCC(=O)NC(N)=O ZINC000411549801 446598771 /nfs/dbraw/zinc/59/87/71/446598771.db2.gz HZCPZYOKJJNZNN-INIZCTEOSA-N 2 2 346.475 1.634 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000423619027 446609273 /nfs/dbraw/zinc/60/92/73/446609273.db2.gz ZUHSZTPYYWPFNQ-OALUTQOASA-N 2 2 345.487 1.831 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)cc1 ZINC000423619027 446609279 /nfs/dbraw/zinc/60/92/79/446609279.db2.gz ZUHSZTPYYWPFNQ-OALUTQOASA-N 2 2 345.487 1.831 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC2)cc1F ZINC000418692365 446650378 /nfs/dbraw/zinc/65/03/78/446650378.db2.gz FPGLLAHFFNJTLQ-QWHCGFSZSA-N 2 2 338.427 1.397 20 0 EDADLP COCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccn1 ZINC000411733229 446662803 /nfs/dbraw/zinc/66/28/03/446662803.db2.gz QBFFLUSIEYCQNQ-UHFFFAOYSA-N 2 2 348.491 1.519 20 0 EDADLP COCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccn1 ZINC000411733229 446662805 /nfs/dbraw/zinc/66/28/05/446662805.db2.gz QBFFLUSIEYCQNQ-UHFFFAOYSA-N 2 2 348.491 1.519 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376708867 446667019 /nfs/dbraw/zinc/66/70/19/446667019.db2.gz DUEZPJAFCFITJT-ARFHVFGLSA-N 2 2 341.446 1.906 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376708867 446667025 /nfs/dbraw/zinc/66/70/25/446667025.db2.gz DUEZPJAFCFITJT-ARFHVFGLSA-N 2 2 341.446 1.906 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418750239 446669626 /nfs/dbraw/zinc/66/96/26/446669626.db2.gz NUCWJHCMFRVEPO-INIZCTEOSA-N 3 2 339.528 1.186 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418750239 446669632 /nfs/dbraw/zinc/66/96/32/446669632.db2.gz NUCWJHCMFRVEPO-INIZCTEOSA-N 3 2 339.528 1.186 20 0 EDADLP CC(C)(C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]([NH3+])c1ccccc1 ZINC000423756047 446685741 /nfs/dbraw/zinc/68/57/41/446685741.db2.gz KRYFGSQYACMCNO-SJORKVTESA-N 2 2 331.460 1.692 20 0 EDADLP CC(C)(C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]([NH3+])c1ccccc1 ZINC000423756047 446685745 /nfs/dbraw/zinc/68/57/45/446685745.db2.gz KRYFGSQYACMCNO-SJORKVTESA-N 2 2 331.460 1.692 20 0 EDADLP C[N@H+](C[C@H](O)Cn1cccn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371205100 446688324 /nfs/dbraw/zinc/68/83/24/446688324.db2.gz NUUWJWKSYKSEQR-SFHVURJKSA-N 2 2 329.448 1.235 20 0 EDADLP C[N@@H+](C[C@H](O)Cn1cccn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371205100 446688331 /nfs/dbraw/zinc/68/83/31/446688331.db2.gz NUUWJWKSYKSEQR-SFHVURJKSA-N 2 2 329.448 1.235 20 0 EDADLP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418776906 446695229 /nfs/dbraw/zinc/69/52/29/446695229.db2.gz XOLBLFUWICTXBM-CYBMUJFWSA-N 2 2 330.423 1.501 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423810788 446700767 /nfs/dbraw/zinc/70/07/67/446700767.db2.gz BLTVDASVNGFRQQ-PEYYIBSZSA-N 2 2 343.830 1.704 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423810788 446700774 /nfs/dbraw/zinc/70/07/74/446700774.db2.gz BLTVDASVNGFRQQ-PEYYIBSZSA-N 2 2 343.830 1.704 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000423817018 446706733 /nfs/dbraw/zinc/70/67/33/446706733.db2.gz YOBIVDFVYSSQCA-IBGZPJMESA-N 2 2 347.459 1.218 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418796818 446707359 /nfs/dbraw/zinc/70/73/59/446707359.db2.gz UKMHYSLKJPFNAF-RDJZCZTQSA-N 2 2 346.475 1.650 20 0 EDADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)C1 ZINC000368238339 446729587 /nfs/dbraw/zinc/72/95/87/446729587.db2.gz AIODXYCMFRPESY-UHOSZYNNSA-N 2 2 349.519 1.892 20 0 EDADLP [NH3+]C[C@@H](C(=O)N1CCC[N@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000423748298 446678790 /nfs/dbraw/zinc/67/87/90/446678790.db2.gz UFVNBENUXFYSAC-QGZVFWFLSA-N 2 2 344.484 1.920 20 0 EDADLP [NH3+]C[C@@H](C(=O)N1CCC[N@@H+](Cc2cscn2)CC1)c1ccccc1 ZINC000423748298 446678794 /nfs/dbraw/zinc/67/87/94/446678794.db2.gz UFVNBENUXFYSAC-QGZVFWFLSA-N 2 2 344.484 1.920 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418762854 446682078 /nfs/dbraw/zinc/68/20/78/446682078.db2.gz MKJHEIFDTYKKHI-CQSZACIVSA-N 2 2 334.455 1.995 20 0 EDADLP Fc1cc(Cl)ccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000375357519 446745980 /nfs/dbraw/zinc/74/59/80/446745980.db2.gz UDABKCXUXRBQNM-INIZCTEOSA-N 2 2 341.858 1.975 20 0 EDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000368267630 446748556 /nfs/dbraw/zinc/74/85/56/446748556.db2.gz ZYGVPDFFUFWHPG-MRXNPFEDSA-N 2 2 333.480 1.150 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423907254 446757558 /nfs/dbraw/zinc/75/75/58/446757558.db2.gz AVKBNVJRHCLGOD-MELADBBJSA-N 2 2 343.468 1.483 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423907254 446757561 /nfs/dbraw/zinc/75/75/61/446757561.db2.gz AVKBNVJRHCLGOD-MELADBBJSA-N 2 2 343.468 1.483 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301594 446758448 /nfs/dbraw/zinc/75/84/48/446758448.db2.gz VJHRZXHRRFTGHV-IGKNDFSCSA-N 2 2 337.508 1.959 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301594 446758450 /nfs/dbraw/zinc/75/84/50/446758450.db2.gz VJHRZXHRRFTGHV-IGKNDFSCSA-N 2 2 337.508 1.959 20 0 EDADLP COCC[NH2+]CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423909772 446759283 /nfs/dbraw/zinc/75/92/83/446759283.db2.gz DSVRLJLBJPXXRJ-STQMWFEESA-N 2 2 329.441 1.013 20 0 EDADLP COCC[NH2+]CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423909772 446759287 /nfs/dbraw/zinc/75/92/87/446759287.db2.gz DSVRLJLBJPXXRJ-STQMWFEESA-N 2 2 329.441 1.013 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1C ZINC000437791909 446759409 /nfs/dbraw/zinc/75/94/09/446759409.db2.gz IESSOJMYLBRFHU-RDJZCZTQSA-N 2 2 334.464 1.589 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1C ZINC000437791909 446759416 /nfs/dbraw/zinc/75/94/16/446759416.db2.gz IESSOJMYLBRFHU-RDJZCZTQSA-N 2 2 334.464 1.589 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1C ZINC000437791909 446759422 /nfs/dbraw/zinc/75/94/22/446759422.db2.gz IESSOJMYLBRFHU-RDJZCZTQSA-N 2 2 334.464 1.589 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1C ZINC000437791909 446759426 /nfs/dbraw/zinc/75/94/26/446759426.db2.gz IESSOJMYLBRFHU-RDJZCZTQSA-N 2 2 334.464 1.589 20 0 EDADLP C[NH2+]CCCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1scnc1C ZINC000423915575 446765458 /nfs/dbraw/zinc/76/54/58/446765458.db2.gz AVLZHVUJDAFIMJ-KBPBESRZSA-N 2 2 342.484 1.822 20 0 EDADLP C[NH2+]CCCC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1scnc1C ZINC000423915575 446765466 /nfs/dbraw/zinc/76/54/66/446765466.db2.gz AVLZHVUJDAFIMJ-KBPBESRZSA-N 2 2 342.484 1.822 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000371327472 446776156 /nfs/dbraw/zinc/77/61/56/446776156.db2.gz WZWGOJRTWWZQAI-MRXNPFEDSA-N 2 2 333.480 1.314 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000371327472 446776161 /nfs/dbraw/zinc/77/61/61/446776161.db2.gz WZWGOJRTWWZQAI-MRXNPFEDSA-N 2 2 333.480 1.314 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000371327472 446776165 /nfs/dbraw/zinc/77/61/65/446776165.db2.gz WZWGOJRTWWZQAI-MRXNPFEDSA-N 2 2 333.480 1.314 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000371327472 446776173 /nfs/dbraw/zinc/77/61/73/446776173.db2.gz WZWGOJRTWWZQAI-MRXNPFEDSA-N 2 2 333.480 1.314 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000423926473 446777338 /nfs/dbraw/zinc/77/73/38/446777338.db2.gz PJRPJKXSCDXEIC-XWUBHJNHSA-N 2 2 342.484 1.806 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000423926473 446777346 /nfs/dbraw/zinc/77/73/46/446777346.db2.gz PJRPJKXSCDXEIC-XWUBHJNHSA-N 2 2 342.484 1.806 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000423930120 446781607 /nfs/dbraw/zinc/78/16/07/446781607.db2.gz JVBZNGBJLQBWAM-YSHGAJCASA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000423930120 446781614 /nfs/dbraw/zinc/78/16/14/446781614.db2.gz JVBZNGBJLQBWAM-YSHGAJCASA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371345704 446794050 /nfs/dbraw/zinc/79/40/50/446794050.db2.gz WVBAJXNNYGHDJD-VYDXJSESSA-N 2 2 343.475 1.832 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371345704 446794057 /nfs/dbraw/zinc/79/40/57/446794057.db2.gz WVBAJXNNYGHDJD-VYDXJSESSA-N 2 2 343.475 1.832 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000371283938 446741864 /nfs/dbraw/zinc/74/18/64/446741864.db2.gz MYQNGZWGSVLWQR-CVEARBPZSA-N 2 2 335.452 1.134 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000371283938 446741872 /nfs/dbraw/zinc/74/18/72/446741872.db2.gz MYQNGZWGSVLWQR-CVEARBPZSA-N 2 2 335.452 1.134 20 0 EDADLP CN(C(=O)C1SCCS1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371284054 446743516 /nfs/dbraw/zinc/74/35/16/446743516.db2.gz NPPGDYHQNAJNTC-CYBMUJFWSA-N 2 2 329.535 1.419 20 0 EDADLP CN(C(=O)C1SCCS1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371284054 446743523 /nfs/dbraw/zinc/74/35/23/446743523.db2.gz NPPGDYHQNAJNTC-CYBMUJFWSA-N 2 2 329.535 1.419 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2[nH+]ccn21 ZINC000454220296 446812929 /nfs/dbraw/zinc/81/29/29/446812929.db2.gz DLZRVPLRLKURGQ-BYNSBNAKSA-N 2 2 335.452 1.687 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2[nH+]ccn21 ZINC000454220296 446812932 /nfs/dbraw/zinc/81/29/32/446812932.db2.gz DLZRVPLRLKURGQ-BYNSBNAKSA-N 2 2 335.452 1.687 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+]1CCCC[C@H]1C ZINC000454252425 446826641 /nfs/dbraw/zinc/82/66/41/446826641.db2.gz DHFIFDLDKVXVQM-TWMKSMIVSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2)[N@@H+]1CCCC[C@H]1C ZINC000454252425 446826650 /nfs/dbraw/zinc/82/66/50/446826650.db2.gz DHFIFDLDKVXVQM-TWMKSMIVSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2)[N@H+]1CCCC[C@H]1C ZINC000454252425 446826654 /nfs/dbraw/zinc/82/66/54/446826654.db2.gz DHFIFDLDKVXVQM-TWMKSMIVSA-N 2 2 338.496 1.364 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000418994038 446852746 /nfs/dbraw/zinc/85/27/46/446852746.db2.gz AYIYBPJNZOECSO-JKSUJKDBSA-N 2 2 346.475 1.263 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000418994038 446852751 /nfs/dbraw/zinc/85/27/51/446852751.db2.gz AYIYBPJNZOECSO-JKSUJKDBSA-N 2 2 346.475 1.263 20 0 EDADLP CCC[N@H+](CC(=O)N(C)C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901900 446879499 /nfs/dbraw/zinc/87/94/99/446879499.db2.gz LKCWDVOMYDCJNB-UHFFFAOYSA-N 2 2 333.476 1.819 20 0 EDADLP CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901900 446879507 /nfs/dbraw/zinc/87/95/07/446879507.db2.gz LKCWDVOMYDCJNB-UHFFFAOYSA-N 2 2 333.476 1.819 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912332 446884344 /nfs/dbraw/zinc/88/43/44/446884344.db2.gz HKZRXDVIFMUKNV-GOSISDBHSA-N 2 2 331.460 1.477 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912332 446884346 /nfs/dbraw/zinc/88/43/46/446884346.db2.gz HKZRXDVIFMUKNV-GOSISDBHSA-N 2 2 331.460 1.477 20 0 EDADLP O=C(C1CC1)[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000420925282 446895559 /nfs/dbraw/zinc/89/55/59/446895559.db2.gz VQIYADHHZDOQDA-IBGZPJMESA-N 2 2 344.455 1.699 20 0 EDADLP O=C(C1CC1)[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000420925282 446895564 /nfs/dbraw/zinc/89/55/64/446895564.db2.gz VQIYADHHZDOQDA-IBGZPJMESA-N 2 2 344.455 1.699 20 0 EDADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](O)C(F)(F)F ZINC000420933340 446905504 /nfs/dbraw/zinc/90/55/04/446905504.db2.gz IBEDSGPHPOYORW-HNNXBMFYSA-N 2 2 332.366 1.874 20 0 EDADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](O)C(F)(F)F ZINC000420933340 446905508 /nfs/dbraw/zinc/90/55/08/446905508.db2.gz IBEDSGPHPOYORW-HNNXBMFYSA-N 2 2 332.366 1.874 20 0 EDADLP CNC(=O)[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000420969927 446940917 /nfs/dbraw/zinc/94/09/17/446940917.db2.gz FQBFNFRZIAOUIQ-KRWDZBQOSA-N 2 2 330.476 1.267 20 0 EDADLP CNC(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000420969927 446940924 /nfs/dbraw/zinc/94/09/24/446940924.db2.gz FQBFNFRZIAOUIQ-KRWDZBQOSA-N 2 2 330.476 1.267 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420977353 446949894 /nfs/dbraw/zinc/94/98/94/446949894.db2.gz HVBMZNLQLMEFHL-DLBZAZTESA-N 2 2 338.540 1.782 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420977353 446949901 /nfs/dbraw/zinc/94/99/01/446949901.db2.gz HVBMZNLQLMEFHL-DLBZAZTESA-N 2 2 338.540 1.782 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nnc(C(C)C)n3C)CC2)CC1 ZINC000420979862 446953901 /nfs/dbraw/zinc/95/39/01/446953901.db2.gz KULIIXCTOOTUAE-UHFFFAOYSA-N 2 2 348.539 1.931 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nnc(C(C)C)n3C)CC2)CC1 ZINC000420979862 446953906 /nfs/dbraw/zinc/95/39/06/446953906.db2.gz KULIIXCTOOTUAE-UHFFFAOYSA-N 2 2 348.539 1.931 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC000420979804 446954520 /nfs/dbraw/zinc/95/45/20/446954520.db2.gz KQBODHBBIDPCHM-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC000420979804 446954524 /nfs/dbraw/zinc/95/45/24/446954524.db2.gz KQBODHBBIDPCHM-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP COc1cccc([C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c2[nH+]ccn2C)c1 ZINC000375703996 446987890 /nfs/dbraw/zinc/98/78/90/446987890.db2.gz KNFQERMMDIKXAE-PMPSAXMXSA-N 2 2 344.415 1.141 20 0 EDADLP C[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000413273944 447109340 /nfs/dbraw/zinc/10/93/40/447109340.db2.gz ZFWQCEPXBWZSJI-JQHSSLGASA-N 2 2 346.475 1.231 20 0 EDADLP C[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+](C)Cc1ccccc1 ZINC000413273944 447109345 /nfs/dbraw/zinc/10/93/45/447109345.db2.gz ZFWQCEPXBWZSJI-JQHSSLGASA-N 2 2 346.475 1.231 20 0 EDADLP C[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000413273944 447109349 /nfs/dbraw/zinc/10/93/49/447109349.db2.gz ZFWQCEPXBWZSJI-JQHSSLGASA-N 2 2 346.475 1.231 20 0 EDADLP C[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000413273944 447109354 /nfs/dbraw/zinc/10/93/54/447109354.db2.gz ZFWQCEPXBWZSJI-JQHSSLGASA-N 2 2 346.475 1.231 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)C)[C@@H]1c1cnn(C)c1 ZINC000372528665 447111988 /nfs/dbraw/zinc/11/19/88/447111988.db2.gz AUFOIPOHGLYLGE-HLLBOEOZSA-N 2 2 335.496 1.602 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)C)[C@@H]1c1cnn(C)c1 ZINC000372528665 447111989 /nfs/dbraw/zinc/11/19/89/447111989.db2.gz AUFOIPOHGLYLGE-HLLBOEOZSA-N 2 2 335.496 1.602 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C)C)[C@@H]1c1cnn(C)c1 ZINC000372528665 447111993 /nfs/dbraw/zinc/11/19/93/447111993.db2.gz AUFOIPOHGLYLGE-HLLBOEOZSA-N 2 2 335.496 1.602 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(C)C)[C@@H]1c1cnn(C)c1 ZINC000372528665 447111996 /nfs/dbraw/zinc/11/19/96/447111996.db2.gz AUFOIPOHGLYLGE-HLLBOEOZSA-N 2 2 335.496 1.602 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368807152 447122601 /nfs/dbraw/zinc/12/26/01/447122601.db2.gz QXJCAENZJYITDO-OAHLLOKOSA-N 2 2 337.468 1.055 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368807152 447122608 /nfs/dbraw/zinc/12/26/08/447122608.db2.gz QXJCAENZJYITDO-OAHLLOKOSA-N 2 2 337.468 1.055 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](OCC4CC4)C3)cn2)CC1 ZINC000368730726 447073081 /nfs/dbraw/zinc/07/30/81/447073081.db2.gz QLSJFWDCGMSNKW-GOSISDBHSA-N 2 2 345.491 1.619 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)cn2)CC1 ZINC000368730726 447073089 /nfs/dbraw/zinc/07/30/89/447073089.db2.gz QLSJFWDCGMSNKW-GOSISDBHSA-N 2 2 345.491 1.619 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000377334009 447073845 /nfs/dbraw/zinc/07/38/45/447073845.db2.gz LVGSTRLEIQPQJO-INIZCTEOSA-N 2 2 349.479 1.623 20 0 EDADLP COc1ccnc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000368733439 447074783 /nfs/dbraw/zinc/07/47/83/447074783.db2.gz PQWDXMXMTVULLO-UHFFFAOYSA-N 2 2 333.480 1.873 20 0 EDADLP COc1ccnc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000368733439 447074792 /nfs/dbraw/zinc/07/47/92/447074792.db2.gz PQWDXMXMTVULLO-UHFFFAOYSA-N 2 2 333.480 1.873 20 0 EDADLP CS[C@@H]1CC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000425344029 447124057 /nfs/dbraw/zinc/12/40/57/447124057.db2.gz IPQNGKKNGDMWRM-HUUCEWRRSA-N 2 2 334.489 1.604 20 0 EDADLP COCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000419392259 447147329 /nfs/dbraw/zinc/14/73/29/447147329.db2.gz YBZABGCVLURLLJ-UHFFFAOYSA-N 2 2 347.503 1.998 20 0 EDADLP COCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000419392259 447147335 /nfs/dbraw/zinc/14/73/35/447147335.db2.gz YBZABGCVLURLLJ-UHFFFAOYSA-N 2 2 347.503 1.998 20 0 EDADLP COCCC[N@@H+]1CCCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000372567713 447147506 /nfs/dbraw/zinc/14/75/06/447147506.db2.gz HBLCLKZCBUUVCW-MRXNPFEDSA-N 2 2 349.479 1.616 20 0 EDADLP COCCC[N@H+]1CCCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000372567713 447147510 /nfs/dbraw/zinc/14/75/10/447147510.db2.gz HBLCLKZCBUUVCW-MRXNPFEDSA-N 2 2 349.479 1.616 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000377485076 447155532 /nfs/dbraw/zinc/15/55/32/447155532.db2.gz OQFJINWSBOLBTE-UHFFFAOYSA-N 2 2 335.411 1.833 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000377485076 447155537 /nfs/dbraw/zinc/15/55/37/447155537.db2.gz OQFJINWSBOLBTE-UHFFFAOYSA-N 2 2 335.411 1.833 20 0 EDADLP O=c1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n[nH]1 ZINC000372588967 447165833 /nfs/dbraw/zinc/16/58/33/447165833.db2.gz YPYZEVMEHZUTQI-UHFFFAOYSA-N 2 2 336.399 1.690 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425503254 447197531 /nfs/dbraw/zinc/19/75/31/447197531.db2.gz RSCRAEQKLKSLCT-YSIASYRMSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425503254 447197535 /nfs/dbraw/zinc/19/75/35/447197535.db2.gz RSCRAEQKLKSLCT-YSIASYRMSA-N 2 2 329.488 1.913 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000377551725 447198963 /nfs/dbraw/zinc/19/89/63/447198963.db2.gz ZWCMVUSBWHYPHA-CQSZACIVSA-N 2 2 330.388 1.913 20 0 EDADLP CC(C)C[C@H](C)OCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000445936124 447210435 /nfs/dbraw/zinc/21/04/35/447210435.db2.gz XBLGPSVRETWKNI-INIZCTEOSA-N 2 2 327.513 1.970 20 0 EDADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377626692 447254515 /nfs/dbraw/zinc/25/45/15/447254515.db2.gz NTPKMBFHDNDSON-JWTNVVGKSA-N 3 2 344.507 1.285 20 0 EDADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377626692 447254523 /nfs/dbraw/zinc/25/45/23/447254523.db2.gz NTPKMBFHDNDSON-JWTNVVGKSA-N 3 2 344.507 1.285 20 0 EDADLP C[NH+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377626692 447254530 /nfs/dbraw/zinc/25/45/30/447254530.db2.gz NTPKMBFHDNDSON-JWTNVVGKSA-N 3 2 344.507 1.285 20 0 EDADLP C[NH+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377626692 447254536 /nfs/dbraw/zinc/25/45/36/447254536.db2.gz NTPKMBFHDNDSON-JWTNVVGKSA-N 3 2 344.507 1.285 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)[nH]1 ZINC000377688906 447296014 /nfs/dbraw/zinc/29/60/14/447296014.db2.gz BHJDGOWMXUUTIE-QGZVFWFLSA-N 2 2 347.507 1.318 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)[nH]1 ZINC000377688906 447296018 /nfs/dbraw/zinc/29/60/18/447296018.db2.gz BHJDGOWMXUUTIE-QGZVFWFLSA-N 2 2 347.507 1.318 20 0 EDADLP C[NH+](C)CC(C)(C)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000457535052 447591479 /nfs/dbraw/zinc/59/14/79/447591479.db2.gz SUFZPZQJUDXAAP-KRWDZBQOSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)CN1C(=O)OC(C)(C)C ZINC000399094370 447561816 /nfs/dbraw/zinc/56/18/16/447561816.db2.gz UXQSONJAPLEYAH-OAGGEKHMSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CN1C(=O)OC(C)(C)C ZINC000399094370 447561821 /nfs/dbraw/zinc/56/18/21/447561821.db2.gz UXQSONJAPLEYAH-OAGGEKHMSA-N 2 2 340.512 1.610 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(CC3CC3)nn2)[C@@H](C)C1 ZINC000450761320 447566551 /nfs/dbraw/zinc/56/65/51/447566551.db2.gz RCGJZOOBFBEHOM-MAUKXSAKSA-N 2 2 335.496 1.915 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(CC3CC3)nn2)[C@@H](C)C1 ZINC000450761320 447566553 /nfs/dbraw/zinc/56/65/53/447566553.db2.gz RCGJZOOBFBEHOM-MAUKXSAKSA-N 2 2 335.496 1.915 20 0 EDADLP CCn1c[nH+]cc1CNc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000416428116 447598933 /nfs/dbraw/zinc/59/89/33/447598933.db2.gz PFXZYIISWFPXHV-UHFFFAOYSA-N 2 2 341.419 2.175 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495852378 447607864 /nfs/dbraw/zinc/60/78/64/447607864.db2.gz WJDUFHUYVGEFPN-LSDHHAIUSA-N 2 2 327.469 1.383 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495852378 447607871 /nfs/dbraw/zinc/60/78/71/447607871.db2.gz WJDUFHUYVGEFPN-LSDHHAIUSA-N 2 2 327.469 1.383 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000495852378 447607877 /nfs/dbraw/zinc/60/78/77/447607877.db2.gz WJDUFHUYVGEFPN-LSDHHAIUSA-N 2 2 327.469 1.383 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000495852378 447607881 /nfs/dbraw/zinc/60/78/81/447607881.db2.gz WJDUFHUYVGEFPN-LSDHHAIUSA-N 2 2 327.469 1.383 20 0 EDADLP C[C@@H]1[C@H](C)SCC[N@@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495857426 447609098 /nfs/dbraw/zinc/60/90/98/447609098.db2.gz HXPAYQSKUOPUHD-DVOMOZLQSA-N 2 2 325.478 1.686 20 0 EDADLP C[C@@H]1[C@H](C)SCC[N@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495857426 447609100 /nfs/dbraw/zinc/60/91/00/447609100.db2.gz HXPAYQSKUOPUHD-DVOMOZLQSA-N 2 2 325.478 1.686 20 0 EDADLP COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428402280 447696947 /nfs/dbraw/zinc/69/69/47/447696947.db2.gz HRIGCJQOHVYWGG-HIFRSBDPSA-N 2 2 329.400 1.928 20 0 EDADLP O=C(OCc1ccccc1)N1CC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000496086509 447706459 /nfs/dbraw/zinc/70/64/59/447706459.db2.gz MPDNTCUSQKYYKX-ROUUACIJSA-N 2 2 345.443 1.364 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000422587576 447656725 /nfs/dbraw/zinc/65/67/25/447656725.db2.gz IRTIUBUKRFLDDJ-OAHLLOKOSA-N 2 2 346.475 1.503 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cnc(C)cn2)nc[nH+]1 ZINC000427843067 447661293 /nfs/dbraw/zinc/66/12/93/447661293.db2.gz ROLQITDBLIRVFB-ZIAGYGMSSA-N 2 2 327.436 1.936 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1 ZINC000457915332 447670011 /nfs/dbraw/zinc/67/00/11/447670011.db2.gz RDKAWNLIGNDVHE-KRWDZBQOSA-N 2 2 329.448 1.435 20 0 EDADLP [NH3+]CCCOC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000420210146 447671555 /nfs/dbraw/zinc/67/15/55/447671555.db2.gz UJDPTINXQOVCCR-UHFFFAOYSA-N 2 2 337.493 1.364 20 0 EDADLP [NH3+]CCCOC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000420210146 447671559 /nfs/dbraw/zinc/67/15/59/447671559.db2.gz UJDPTINXQOVCCR-UHFFFAOYSA-N 2 2 337.493 1.364 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000408522356 447672972 /nfs/dbraw/zinc/67/29/72/447672972.db2.gz HYKXEFOINWSOEO-DLBZAZTESA-N 2 2 343.427 1.852 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000408522356 447672975 /nfs/dbraw/zinc/67/29/75/447672975.db2.gz HYKXEFOINWSOEO-DLBZAZTESA-N 2 2 343.427 1.852 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422631499 447679546 /nfs/dbraw/zinc/67/95/46/447679546.db2.gz FPNWOFXJRLTNAZ-YDHLFZDLSA-N 2 2 332.448 1.889 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422631499 447679550 /nfs/dbraw/zinc/67/95/50/447679550.db2.gz FPNWOFXJRLTNAZ-YDHLFZDLSA-N 2 2 332.448 1.889 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416808568 447688653 /nfs/dbraw/zinc/68/86/53/447688653.db2.gz IILCLRMVUKEDHL-WMZOPIPTSA-N 2 2 348.491 1.704 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416808568 447688658 /nfs/dbraw/zinc/68/86/58/447688658.db2.gz IILCLRMVUKEDHL-WMZOPIPTSA-N 2 2 348.491 1.704 20 0 EDADLP CC(C)(CCC[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416812692 447690340 /nfs/dbraw/zinc/69/03/40/447690340.db2.gz LZSJEFNRBRLLHA-QGZVFWFLSA-N 2 2 348.491 1.704 20 0 EDADLP CC(C)(CCC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416812692 447690342 /nfs/dbraw/zinc/69/03/42/447690342.db2.gz LZSJEFNRBRLLHA-QGZVFWFLSA-N 2 2 348.491 1.704 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416816862 447690970 /nfs/dbraw/zinc/69/09/70/447690970.db2.gz HQFKMGJDRLSPNU-KGLIPLIRSA-N 2 2 340.493 1.276 20 0 EDADLP CN(C)C(=O)COc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422687958 447714026 /nfs/dbraw/zinc/71/40/26/447714026.db2.gz CEYMCFLSNBBFNW-PKOBYXMFSA-N 2 2 347.459 1.010 20 0 EDADLP COc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(OC)c1OC ZINC000422697172 447718884 /nfs/dbraw/zinc/71/88/84/447718884.db2.gz UDGSHZHRLKDSDI-HZPDHXFCSA-N 2 2 336.432 1.569 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000422700802 447720431 /nfs/dbraw/zinc/72/04/31/447720431.db2.gz CHQCXCJYTKTLKA-ZWKOTPCHSA-N 2 2 349.450 1.673 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000422729566 447731394 /nfs/dbraw/zinc/73/13/94/447731394.db2.gz KXXGQLFRNYCSFO-ZWKOTPCHSA-N 2 2 331.460 1.534 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000458180323 447738763 /nfs/dbraw/zinc/73/87/63/447738763.db2.gz PHTYVYRFQXQPKV-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000458180323 447738766 /nfs/dbraw/zinc/73/87/66/447738766.db2.gz PHTYVYRFQXQPKV-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@H]1C[NH+](CC)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000458180323 447738770 /nfs/dbraw/zinc/73/87/70/447738770.db2.gz PHTYVYRFQXQPKV-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@H]1C[NH+](CC)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000458180323 447738773 /nfs/dbraw/zinc/73/87/73/447738773.db2.gz PHTYVYRFQXQPKV-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CN(C[C@@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000496226928 447745416 /nfs/dbraw/zinc/74/54/16/447745416.db2.gz LORDKSAABBBBCH-KRWDZBQOSA-N 2 2 340.468 1.823 20 0 EDADLP CN(C[C@@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000496226928 447745420 /nfs/dbraw/zinc/74/54/20/447745420.db2.gz LORDKSAABBBBCH-KRWDZBQOSA-N 2 2 340.468 1.823 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430564805 447779796 /nfs/dbraw/zinc/77/97/96/447779796.db2.gz NFDSQGYXZOXVKI-SFHVURJKSA-N 2 2 334.464 1.267 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000430593853 447782341 /nfs/dbraw/zinc/78/23/41/447782341.db2.gz JRMLLGCOLZRZQC-MRXNPFEDSA-N 2 2 336.392 1.026 20 0 EDADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000422975481 447785738 /nfs/dbraw/zinc/78/57/38/447785738.db2.gz GWXKKKONHQGLOC-RBUKOAKNSA-N 3 2 340.556 1.277 20 0 EDADLP COc1ccc(OC)c(CCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423014103 447790774 /nfs/dbraw/zinc/79/07/74/447790774.db2.gz OGNLYJZCDQRVKP-MOPGFXCFSA-N 2 2 334.460 1.993 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000423083118 447801594 /nfs/dbraw/zinc/80/15/94/447801594.db2.gz YHTKFEUQKHKOSF-HZPDHXFCSA-N 2 2 326.462 1.202 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111915 447862904 /nfs/dbraw/zinc/86/29/04/447862904.db2.gz JDMDHRFXLZKOOC-HOTGVXAUSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111915 447862909 /nfs/dbraw/zinc/86/29/09/447862909.db2.gz JDMDHRFXLZKOOC-HOTGVXAUSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111915 447862914 /nfs/dbraw/zinc/86/29/14/447862914.db2.gz JDMDHRFXLZKOOC-HOTGVXAUSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)OC(C)(C)C ZINC000497111915 447862918 /nfs/dbraw/zinc/86/29/18/447862918.db2.gz JDMDHRFXLZKOOC-HOTGVXAUSA-N 2 2 341.496 1.773 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(C)[nH+]1 ZINC000569684532 447865642 /nfs/dbraw/zinc/86/56/42/447865642.db2.gz IRQSZFDNOAQVQD-INIZCTEOSA-N 2 2 330.432 1.011 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000497135600 447881764 /nfs/dbraw/zinc/88/17/64/447881764.db2.gz VMVLDBFVXZUPPJ-IPYPFGDCSA-N 2 2 327.469 1.429 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000497135600 447881767 /nfs/dbraw/zinc/88/17/67/447881767.db2.gz VMVLDBFVXZUPPJ-IPYPFGDCSA-N 2 2 327.469 1.429 20 0 EDADLP Cc1nc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490107098 447888834 /nfs/dbraw/zinc/88/88/34/447888834.db2.gz LFJJVNHJSVEKMU-CJNGLKHVSA-N 2 2 326.448 2.321 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000569787111 447888858 /nfs/dbraw/zinc/88/88/58/447888858.db2.gz LSBQXHAWTQHBGF-VQHPVUNQSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000569787111 447888864 /nfs/dbraw/zinc/88/88/64/447888864.db2.gz LSBQXHAWTQHBGF-VQHPVUNQSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1nc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490107098 447888838 /nfs/dbraw/zinc/88/88/38/447888838.db2.gz LFJJVNHJSVEKMU-CJNGLKHVSA-N 2 2 326.448 2.321 20 0 EDADLP [NH3+]C[C@H]1CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000569815051 447898271 /nfs/dbraw/zinc/89/82/71/447898271.db2.gz ODNRPXHFDARBPX-QGZVFWFLSA-N 2 2 346.475 1.128 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000569815051 447898272 /nfs/dbraw/zinc/89/82/72/447898272.db2.gz ODNRPXHFDARBPX-QGZVFWFLSA-N 3 2 346.475 1.128 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000569815051 447898278 /nfs/dbraw/zinc/89/82/78/447898278.db2.gz ODNRPXHFDARBPX-QGZVFWFLSA-N 3 2 346.475 1.128 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000552879880 447962558 /nfs/dbraw/zinc/96/25/58/447962558.db2.gz JEJSIDCJGACBFY-BEFAXECRSA-N 2 2 340.427 1.020 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000552879880 447962563 /nfs/dbraw/zinc/96/25/63/447962563.db2.gz JEJSIDCJGACBFY-BEFAXECRSA-N 2 2 340.427 1.020 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000552879880 447962568 /nfs/dbraw/zinc/96/25/68/447962568.db2.gz JEJSIDCJGACBFY-BEFAXECRSA-N 2 2 340.427 1.020 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000552879880 447962572 /nfs/dbraw/zinc/96/25/72/447962572.db2.gz JEJSIDCJGACBFY-BEFAXECRSA-N 2 2 340.427 1.020 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000575965149 447937372 /nfs/dbraw/zinc/93/73/72/447937372.db2.gz RKUZOKYAWCDVGL-UHFFFAOYSA-N 2 2 327.432 1.444 20 0 EDADLP CC(C)[NH+]1CCC(N(C)c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000530909351 447983504 /nfs/dbraw/zinc/98/35/04/447983504.db2.gz CSKFYETZWVKIPO-UHFFFAOYSA-N 2 2 343.475 2.343 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc3ncccc3c2)C[C@@H](C)O1 ZINC000576220915 448001637 /nfs/dbraw/zinc/00/16/37/448001637.db2.gz JFASEHACPJKEKV-IIDMSEBBSA-N 2 2 329.444 1.795 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531046247 448008008 /nfs/dbraw/zinc/00/80/08/448008008.db2.gz WPCYHZYLSSTLEN-GOSISDBHSA-N 2 2 328.416 1.026 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531046247 448008011 /nfs/dbraw/zinc/00/80/11/448008011.db2.gz WPCYHZYLSSTLEN-GOSISDBHSA-N 2 2 328.416 1.026 20 0 EDADLP COC(=O)N1CCC[C@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)C1 ZINC000491519976 448052735 /nfs/dbraw/zinc/05/27/35/448052735.db2.gz WWNASMXHYIJKMT-LBPRGKRZSA-N 2 2 329.360 1.684 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000497300004 448052908 /nfs/dbraw/zinc/05/29/08/448052908.db2.gz UJRIYBJKDIXYIC-OWCLPIDISA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000497300004 448052914 /nfs/dbraw/zinc/05/29/14/448052914.db2.gz UJRIYBJKDIXYIC-OWCLPIDISA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)c1cc(NCC[NH+]2CCC([NH+](C)C)CC2)n2ncnc2n1 ZINC000531381234 448074025 /nfs/dbraw/zinc/07/40/25/448074025.db2.gz AASGHPWDBMDCKV-UHFFFAOYSA-N 2 2 331.468 1.686 20 0 EDADLP CC(=O)Nc1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000571288073 448129345 /nfs/dbraw/zinc/12/93/45/448129345.db2.gz NKCKVQHOMCPEGC-GJZGRUSLSA-N 2 2 338.477 1.820 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000571611027 448176498 /nfs/dbraw/zinc/17/64/98/448176498.db2.gz CHWGRNTZVCMRCC-HZPDHXFCSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000571611027 448176508 /nfs/dbraw/zinc/17/65/08/448176508.db2.gz CHWGRNTZVCMRCC-HZPDHXFCSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000582414554 448229780 /nfs/dbraw/zinc/22/97/80/448229780.db2.gz DSZMCHAGBIOZFB-XNRPHZJLSA-N 2 2 330.457 1.780 20 0 EDADLP Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000571865029 448219122 /nfs/dbraw/zinc/21/91/22/448219122.db2.gz REEQIYYHNFHEGU-OCCSQVGLSA-N 2 2 336.484 1.292 20 0 EDADLP Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000571865029 448219128 /nfs/dbraw/zinc/21/91/28/448219128.db2.gz REEQIYYHNFHEGU-OCCSQVGLSA-N 2 2 336.484 1.292 20 0 EDADLP CCc1cc(N)nc(SCC(=O)NC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000515034699 448244495 /nfs/dbraw/zinc/24/44/95/448244495.db2.gz SPFLCFWYCVWVJZ-UHFFFAOYSA-N 2 2 335.477 1.456 20 0 EDADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571985072 448252386 /nfs/dbraw/zinc/25/23/86/448252386.db2.gz WADMJHXDDSDVRR-KCYZZUKISA-N 2 2 330.432 1.632 20 0 EDADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1Br ZINC000577388977 448284983 /nfs/dbraw/zinc/28/49/83/448284983.db2.gz PASHJKOKZUSAQZ-GXTWGEPZSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1Br ZINC000577388977 448284988 /nfs/dbraw/zinc/28/49/88/448284988.db2.gz PASHJKOKZUSAQZ-GXTWGEPZSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000582833047 448351950 /nfs/dbraw/zinc/35/19/50/448351950.db2.gz YQQMJXVFERFHPJ-MRXNPFEDSA-N 2 2 335.496 1.433 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000591573200 448393679 /nfs/dbraw/zinc/39/36/79/448393679.db2.gz KJDLTQVCZGRYKR-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000591573200 448393688 /nfs/dbraw/zinc/39/36/88/448393688.db2.gz KJDLTQVCZGRYKR-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000591573200 448393695 /nfs/dbraw/zinc/39/36/95/448393695.db2.gz KJDLTQVCZGRYKR-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000591573200 448393701 /nfs/dbraw/zinc/39/37/01/448393701.db2.gz KJDLTQVCZGRYKR-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000516292955 448410293 /nfs/dbraw/zinc/41/02/93/448410293.db2.gz OQPULIKNUBUTMT-OAHLLOKOSA-N 2 2 346.475 1.778 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000516292955 448410298 /nfs/dbraw/zinc/41/02/98/448410298.db2.gz OQPULIKNUBUTMT-OAHLLOKOSA-N 2 2 346.475 1.778 20 0 EDADLP CC[NH2+]CCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000572585467 448414575 /nfs/dbraw/zinc/41/45/75/448414575.db2.gz PPTXKNYFYLVLHB-GJZGRUSLSA-N 2 2 349.479 1.494 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC12CC2 ZINC000527851731 448373977 /nfs/dbraw/zinc/37/39/77/448373977.db2.gz ASGTZFIFYKNUBI-JKSUJKDBSA-N 2 2 328.460 1.899 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000533918735 448429765 /nfs/dbraw/zinc/42/97/65/448429765.db2.gz LUDMLRUBJSPPAE-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000533918735 448429770 /nfs/dbraw/zinc/42/97/70/448429770.db2.gz LUDMLRUBJSPPAE-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000533918735 448429775 /nfs/dbraw/zinc/42/97/75/448429775.db2.gz LUDMLRUBJSPPAE-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000533918735 448429782 /nfs/dbraw/zinc/42/97/82/448429782.db2.gz LUDMLRUBJSPPAE-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@]1(NC(=O)NCC[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000566299454 448438916 /nfs/dbraw/zinc/43/89/16/448438916.db2.gz BBTNVSGOTXLXRO-IBGZPJMESA-N 2 2 346.475 1.282 20 0 EDADLP C[C@]1(NC(=O)NCC[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000566299454 448438919 /nfs/dbraw/zinc/43/89/19/448438919.db2.gz BBTNVSGOTXLXRO-IBGZPJMESA-N 2 2 346.475 1.282 20 0 EDADLP CN(C(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1nccs1 ZINC000566299643 448439325 /nfs/dbraw/zinc/43/93/25/448439325.db2.gz FMMPEKFNSZNERS-ZFWWWQNUSA-N 2 2 338.477 1.324 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1[nH+]ccc2c(N)cccc21 ZINC000528133436 448441114 /nfs/dbraw/zinc/44/11/14/448441114.db2.gz WIHZOXSUVUCAFS-LJQANCHMSA-N 2 2 342.443 1.845 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1[nH+]ccc2c(N)cccc21 ZINC000528133436 448441121 /nfs/dbraw/zinc/44/11/21/448441121.db2.gz WIHZOXSUVUCAFS-LJQANCHMSA-N 2 2 342.443 1.845 20 0 EDADLP C[C@@H](CC(=O)NCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)n1cc[nH+]c1 ZINC000566341350 448449116 /nfs/dbraw/zinc/44/91/16/448449116.db2.gz RJYWVUMLDMCPRH-GJZGRUSLSA-N 2 2 346.435 1.257 20 0 EDADLP OC[C@H](C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000516771071 448471629 /nfs/dbraw/zinc/47/16/29/448471629.db2.gz YHMZQDIJWPQVIK-PMACEKPBSA-N 2 2 341.455 1.166 20 0 EDADLP OC[C@H](C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000516771071 448471633 /nfs/dbraw/zinc/47/16/33/448471633.db2.gz YHMZQDIJWPQVIK-PMACEKPBSA-N 2 2 341.455 1.166 20 0 EDADLP C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+]1CC(C)C1 ZINC000572779621 448463152 /nfs/dbraw/zinc/46/31/52/448463152.db2.gz PXTUKYGATSGDFZ-BHIYHBOVSA-N 2 2 345.487 1.326 20 0 EDADLP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+]1CC(C)C1 ZINC000572779621 448463157 /nfs/dbraw/zinc/46/31/57/448463157.db2.gz PXTUKYGATSGDFZ-BHIYHBOVSA-N 2 2 345.487 1.326 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccnc2OC2CCCC2)[C@H](C[NH3+])C1 ZINC000578171246 448476311 /nfs/dbraw/zinc/47/63/11/448476311.db2.gz TUUSWPBMGVOEMV-OAHLLOKOSA-N 2 2 347.463 1.187 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccnc2OC2CCCC2)[C@H](C[NH3+])C1 ZINC000578171246 448476317 /nfs/dbraw/zinc/47/63/17/448476317.db2.gz TUUSWPBMGVOEMV-OAHLLOKOSA-N 2 2 347.463 1.187 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000578187232 448479688 /nfs/dbraw/zinc/47/96/88/448479688.db2.gz VVSMAXSBOKVOOG-QANKJYHBSA-N 2 2 347.459 1.600 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000578187232 448479689 /nfs/dbraw/zinc/47/96/89/448479689.db2.gz VVSMAXSBOKVOOG-QANKJYHBSA-N 2 2 347.459 1.600 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000528317402 448486055 /nfs/dbraw/zinc/48/60/55/448486055.db2.gz VLKXCTLQBBRTON-FSZRXZPDSA-N 2 2 337.508 1.721 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000578206496 448487265 /nfs/dbraw/zinc/48/72/65/448487265.db2.gz VMHAWZMDHAXJNH-JSGCOSHPSA-N 2 2 344.242 1.616 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)CCN2C1=O ZINC000578206496 448487271 /nfs/dbraw/zinc/48/72/71/448487271.db2.gz VMHAWZMDHAXJNH-JSGCOSHPSA-N 2 2 344.242 1.616 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000535205288 448490641 /nfs/dbraw/zinc/49/06/41/448490641.db2.gz HZBDDHDVVPXKPC-OAHLLOKOSA-N 2 2 340.427 1.958 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000535205288 448490648 /nfs/dbraw/zinc/49/06/48/448490648.db2.gz HZBDDHDVVPXKPC-OAHLLOKOSA-N 2 2 340.427 1.958 20 0 EDADLP C[C@@H](NC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000578232645 448492577 /nfs/dbraw/zinc/49/25/77/448492577.db2.gz AXVOTSBPNVIAHI-UNNPPQAFSA-N 2 2 349.519 1.738 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000566555649 448506322 /nfs/dbraw/zinc/50/63/22/448506322.db2.gz GDTWVTVKLFFXAM-RYRKJORJSA-N 2 2 331.460 1.787 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000572967340 448510025 /nfs/dbraw/zinc/51/00/25/448510025.db2.gz ZJVWMLNHPUVVBK-MRXNPFEDSA-N 2 2 333.476 1.434 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000584415535 448520839 /nfs/dbraw/zinc/52/08/39/448520839.db2.gz MUCQCBWGQHWRRX-OAHLLOKOSA-N 2 2 331.382 1.798 20 0 EDADLP Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2=O)cc1 ZINC000517231476 448557338 /nfs/dbraw/zinc/55/73/38/448557338.db2.gz JOTWEXXNGHYDNS-MSOLQXFVSA-N 2 2 331.460 1.141 20 0 EDADLP Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2=O)cc1 ZINC000517231476 448557341 /nfs/dbraw/zinc/55/73/41/448557341.db2.gz JOTWEXXNGHYDNS-MSOLQXFVSA-N 2 2 331.460 1.141 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000517298737 448569224 /nfs/dbraw/zinc/56/92/24/448569224.db2.gz AGBWRSOLAZLCTN-CABCVRRESA-N 2 2 349.479 1.623 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000517298737 448569225 /nfs/dbraw/zinc/56/92/25/448569225.db2.gz AGBWRSOLAZLCTN-CABCVRRESA-N 2 2 349.479 1.623 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cs1 ZINC000591915720 448573536 /nfs/dbraw/zinc/57/35/36/448573536.db2.gz JIVHFOOOIGTCTM-AWEZNQCLSA-N 2 2 333.461 1.807 20 0 EDADLP COc1cc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000566679007 448537450 /nfs/dbraw/zinc/53/74/50/448537450.db2.gz RRAHUCDKAZBZLO-CYBMUJFWSA-N 2 2 337.420 1.335 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000566679007 448537454 /nfs/dbraw/zinc/53/74/54/448537454.db2.gz RRAHUCDKAZBZLO-CYBMUJFWSA-N 2 2 337.420 1.335 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000566917803 448585602 /nfs/dbraw/zinc/58/56/02/448585602.db2.gz OSUHXTAVMKABDY-WBMJQRKESA-N 2 2 340.418 1.107 20 0 EDADLP Cc1cccc(OC(F)F)c1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000518132047 448647434 /nfs/dbraw/zinc/64/74/34/448647434.db2.gz OMSMVRAGLOXNGC-LLVKDONJSA-N 2 2 328.363 1.703 20 0 EDADLP Cc1cccc(OC(F)F)c1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000518132047 448647439 /nfs/dbraw/zinc/64/74/39/448647439.db2.gz OMSMVRAGLOXNGC-LLVKDONJSA-N 2 2 328.363 1.703 20 0 EDADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NCCn1cc[nH+]c1 ZINC000518139747 448647909 /nfs/dbraw/zinc/64/79/09/448647909.db2.gz YYTHEQBXNDTHKM-OAHLLOKOSA-N 2 2 329.404 1.248 20 0 EDADLP CCOC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000528733747 448650704 /nfs/dbraw/zinc/65/07/04/448650704.db2.gz WJFVIXBILXNGDD-LJQANCHMSA-N 2 2 334.460 1.756 20 0 EDADLP CCOC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000528733747 448650709 /nfs/dbraw/zinc/65/07/09/448650709.db2.gz WJFVIXBILXNGDD-LJQANCHMSA-N 2 2 334.460 1.756 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000573561738 448657830 /nfs/dbraw/zinc/65/78/30/448657830.db2.gz IMSJNVDJKMIYJG-ZDUSSCGKSA-N 2 2 330.388 1.186 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)Oc1cccc(F)c1 ZINC000517924963 448629508 /nfs/dbraw/zinc/62/95/08/448629508.db2.gz CHKPXJDTFURWMF-ANQUJSFKSA-N 2 2 340.439 1.653 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000517959565 448634986 /nfs/dbraw/zinc/63/49/86/448634986.db2.gz JEKMKOXJZLKYST-UHFFFAOYSA-N 2 2 333.476 1.631 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000517959565 448634989 /nfs/dbraw/zinc/63/49/89/448634989.db2.gz JEKMKOXJZLKYST-UHFFFAOYSA-N 2 2 333.476 1.631 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3C[C@@H](O)C3(C)C)CC2)c1 ZINC000567624455 448726317 /nfs/dbraw/zinc/72/63/17/448726317.db2.gz PNIFQFBTKVQTKW-ZWKOTPCHSA-N 2 2 345.487 1.388 20 0 EDADLP [NH3+]CCC1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000573856335 448730293 /nfs/dbraw/zinc/73/02/93/448730293.db2.gz WQTVXTFEALUBKU-AWEZNQCLSA-N 2 2 333.436 1.051 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000567680239 448735833 /nfs/dbraw/zinc/73/58/33/448735833.db2.gz UHMRVETVGYMMQV-DLBZAZTESA-N 2 2 326.868 1.944 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000567680239 448735842 /nfs/dbraw/zinc/73/58/42/448735842.db2.gz UHMRVETVGYMMQV-DLBZAZTESA-N 2 2 326.868 1.944 20 0 EDADLP CCCOc1ccc(OCC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000567753805 448752222 /nfs/dbraw/zinc/75/22/22/448752222.db2.gz HVAVZSLJJWWUCQ-YOEHRIQHSA-N 2 2 333.432 1.098 20 0 EDADLP Cc1[nH+]c2ccccn2c1CN1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000574030319 448772003 /nfs/dbraw/zinc/77/20/03/448772003.db2.gz YYOXTNHWNXFBFO-INIZCTEOSA-N 2 2 341.459 1.429 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000574040841 448777069 /nfs/dbraw/zinc/77/70/69/448777069.db2.gz CVBIGSVLNBJBHI-AWEZNQCLSA-N 2 2 332.448 1.417 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579376497 448782182 /nfs/dbraw/zinc/78/21/82/448782182.db2.gz TUIHEZQLVQEIID-CQSZACIVSA-N 2 2 337.431 1.880 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579376497 448782186 /nfs/dbraw/zinc/78/21/86/448782186.db2.gz TUIHEZQLVQEIID-CQSZACIVSA-N 2 2 337.431 1.880 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000568166853 448827252 /nfs/dbraw/zinc/82/72/52/448827252.db2.gz VPRQBCOHVBBICJ-TZMCWYRMSA-N 2 2 326.437 1.676 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000568166853 448827257 /nfs/dbraw/zinc/82/72/57/448827257.db2.gz VPRQBCOHVBBICJ-TZMCWYRMSA-N 2 2 326.437 1.676 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000568166678 448827673 /nfs/dbraw/zinc/82/76/73/448827673.db2.gz PZYJENTVQQOMSD-HOCLYGCPSA-N 2 2 340.427 1.849 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000568166678 448827674 /nfs/dbraw/zinc/82/76/74/448827674.db2.gz PZYJENTVQQOMSD-HOCLYGCPSA-N 2 2 340.427 1.849 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCC(C)(C)O)([NH+]2CCCCC2)CC1 ZINC000579664935 448844012 /nfs/dbraw/zinc/84/40/12/448844012.db2.gz LFEMZCVHIORWRR-UHFFFAOYSA-N 2 2 325.497 1.604 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529369659 448844673 /nfs/dbraw/zinc/84/46/73/448844673.db2.gz YHEHJSJZSICLDF-NSHDSACASA-N 2 2 345.369 1.871 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1)[NH+]1CCOCC1 ZINC000519809361 448848872 /nfs/dbraw/zinc/84/88/72/448848872.db2.gz HYIWHPKDPJKKQI-KKBVYLPWSA-N 2 2 330.432 1.419 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000520219002 448872491 /nfs/dbraw/zinc/87/24/91/448872491.db2.gz LZHKESMZVKPSAF-RTBURBONSA-N 2 2 348.487 1.797 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000520219002 448872496 /nfs/dbraw/zinc/87/24/96/448872496.db2.gz LZHKESMZVKPSAF-RTBURBONSA-N 2 2 348.487 1.797 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000574464874 448881206 /nfs/dbraw/zinc/88/12/06/448881206.db2.gz WFTAYHVCPJODAE-UHFFFAOYSA-N 2 2 337.431 2.153 20 0 EDADLP CN1CC[NH+](CCC(C)(C)NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000547463480 448881916 /nfs/dbraw/zinc/88/19/16/448881916.db2.gz HKTONLACCPITPL-UHFFFAOYSA-N 2 2 347.507 1.294 20 0 EDADLP C[NH+]1CCN(CCC(C)(C)NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000547463480 448881918 /nfs/dbraw/zinc/88/19/18/448881918.db2.gz HKTONLACCPITPL-UHFFFAOYSA-N 2 2 347.507 1.294 20 0 EDADLP [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c21 ZINC000592562376 448901661 /nfs/dbraw/zinc/90/16/61/448901661.db2.gz FCCQMHGLRQJSLE-KGLIPLIRSA-N 2 2 340.431 1.123 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000547674997 448912884 /nfs/dbraw/zinc/91/28/84/448912884.db2.gz OEQATVFLNSKHFN-INIZCTEOSA-N 2 2 333.480 1.960 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000547674997 448912889 /nfs/dbraw/zinc/91/28/89/448912889.db2.gz OEQATVFLNSKHFN-INIZCTEOSA-N 2 2 333.480 1.960 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000579948577 448919102 /nfs/dbraw/zinc/91/91/02/448919102.db2.gz MZSSTCGYHZCZCY-RTBURBONSA-N 2 2 344.503 1.705 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[NH+]1CCSCC1 ZINC000568828554 448923909 /nfs/dbraw/zinc/92/39/09/448923909.db2.gz GURVAKHGGDGUQR-WMLDXEAASA-N 2 2 349.500 1.629 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[NH+]1CCSCC1 ZINC000568828554 448923912 /nfs/dbraw/zinc/92/39/12/448923912.db2.gz GURVAKHGGDGUQR-WMLDXEAASA-N 2 2 349.500 1.629 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000579824784 448886729 /nfs/dbraw/zinc/88/67/29/448886729.db2.gz VGAKRLAMOSGDLX-CVEARBPZSA-N 2 2 330.432 1.224 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC[NH2+]1 ZINC000569122378 448966589 /nfs/dbraw/zinc/96/65/89/448966589.db2.gz GQJKJJPHCNVIBA-KYJSFNMBSA-N 3 2 341.459 1.058 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000521565918 448995036 /nfs/dbraw/zinc/99/50/36/448995036.db2.gz OYXNDHSZNCGKTE-YJBOKZPZSA-N 2 2 342.443 1.597 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000521565918 448995040 /nfs/dbraw/zinc/99/50/40/448995040.db2.gz OYXNDHSZNCGKTE-YJBOKZPZSA-N 2 2 342.443 1.597 20 0 EDADLP NC(=O)Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000589641543 449044177 /nfs/dbraw/zinc/04/41/77/449044177.db2.gz OAGXNHRSKPWITD-UHFFFAOYSA-N 2 2 338.455 1.864 20 0 EDADLP COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000575175069 449053489 /nfs/dbraw/zinc/05/34/89/449053489.db2.gz CLQBUOVDYZQOMT-QLFBSQMISA-N 2 2 331.416 1.555 20 0 EDADLP C[C@H](c1ccccn1)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207686 449192435 /nfs/dbraw/zinc/19/24/35/449192435.db2.gz ADBQOKCLHTXCEE-HZPDHXFCSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](c1ccccn1)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207686 449192439 /nfs/dbraw/zinc/19/24/39/449192439.db2.gz ADBQOKCLHTXCEE-HZPDHXFCSA-N 2 2 345.491 1.953 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000590627169 449225859 /nfs/dbraw/zinc/22/58/59/449225859.db2.gz VDNILKGNDFWULM-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000590627169 449225863 /nfs/dbraw/zinc/22/58/63/449225863.db2.gz VDNILKGNDFWULM-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000590627169 449225866 /nfs/dbraw/zinc/22/58/66/449225866.db2.gz VDNILKGNDFWULM-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000590627169 449225871 /nfs/dbraw/zinc/22/58/71/449225871.db2.gz VDNILKGNDFWULM-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)C[C@H]1C[NH2+]CCO1 ZINC000595889978 449234977 /nfs/dbraw/zinc/23/49/77/449234977.db2.gz ASQQDFADFJICME-CYBMUJFWSA-N 2 2 328.359 1.318 20 0 EDADLP COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1C[NH2+]CCO1 ZINC000595889978 449234979 /nfs/dbraw/zinc/23/49/79/449234979.db2.gz ASQQDFADFJICME-CYBMUJFWSA-N 2 2 328.359 1.318 20 0 EDADLP COC(=O)[C@]1(OC)CC[N@H+](Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000600192462 449236365 /nfs/dbraw/zinc/23/63/65/449236365.db2.gz OTNXRXQQNHDOHR-SFHVURJKSA-N 2 2 329.400 1.945 20 0 EDADLP COC(=O)[C@]1(OC)CC[N@@H+](Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000600192462 449236372 /nfs/dbraw/zinc/23/63/72/449236372.db2.gz OTNXRXQQNHDOHR-SFHVURJKSA-N 2 2 329.400 1.945 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000604774259 449293397 /nfs/dbraw/zinc/29/33/97/449293397.db2.gz MAIDEJLSWIBWDY-ROUUACIJSA-N 2 2 345.487 1.928 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000604774259 449293403 /nfs/dbraw/zinc/29/34/03/449293403.db2.gz MAIDEJLSWIBWDY-ROUUACIJSA-N 2 2 345.487 1.928 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000590820078 449308073 /nfs/dbraw/zinc/30/80/73/449308073.db2.gz AUAXVVKMQYYBMX-MRXNPFEDSA-N 2 2 345.443 1.066 20 0 EDADLP COC(=O)[C@@]1(NCCn2cc[nH+]c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611796403 449424805 /nfs/dbraw/zinc/42/48/05/449424805.db2.gz RIDKQRQUDVQJCM-LJQANCHMSA-N 2 2 342.443 1.681 20 0 EDADLP COC(=O)[C@@]1(NCCn2cc[nH+]c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611796403 449424807 /nfs/dbraw/zinc/42/48/07/449424807.db2.gz RIDKQRQUDVQJCM-LJQANCHMSA-N 2 2 342.443 1.681 20 0 EDADLP C[C@@H](OCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602197220 449425992 /nfs/dbraw/zinc/42/59/92/449425992.db2.gz YTOGJZOIMCIFLQ-SJLPKXTDSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](OCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602197220 449426000 /nfs/dbraw/zinc/42/60/00/449426000.db2.gz YTOGJZOIMCIFLQ-SJLPKXTDSA-N 2 2 345.487 1.876 20 0 EDADLP COC(=O)c1nccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000596174329 449395867 /nfs/dbraw/zinc/39/58/67/449395867.db2.gz KMYPKNHUVLODOR-YIONKMFJSA-N 2 2 345.447 1.010 20 0 EDADLP COC(=O)c1nccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000596174329 449395871 /nfs/dbraw/zinc/39/58/71/449395871.db2.gz KMYPKNHUVLODOR-YIONKMFJSA-N 2 2 345.447 1.010 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583532 449489187 /nfs/dbraw/zinc/48/91/87/449489187.db2.gz FKCAEEQUBZKXOO-CYBMUJFWSA-N 2 2 344.419 1.043 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583532 449489191 /nfs/dbraw/zinc/48/91/91/449489191.db2.gz FKCAEEQUBZKXOO-CYBMUJFWSA-N 2 2 344.419 1.043 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ncnc3ccsc32)CC1 ZINC000611975124 449500417 /nfs/dbraw/zinc/50/04/17/449500417.db2.gz WDTJVKSVJNJJKA-UHFFFAOYSA-N 2 2 333.461 1.447 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000607145479 449578293 /nfs/dbraw/zinc/57/82/93/449578293.db2.gz WKJOBBDJLPOODZ-UHFFFAOYSA-N 2 2 343.479 1.861 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000607145479 449578299 /nfs/dbraw/zinc/57/82/99/449578299.db2.gz WKJOBBDJLPOODZ-UHFFFAOYSA-N 2 2 343.479 1.861 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N(C)CCOCC[NH3+] ZINC000600956709 449615201 /nfs/dbraw/zinc/61/52/01/449615201.db2.gz XROCCRXGEGTFPD-UHFFFAOYSA-N 2 2 347.415 1.832 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000617449616 449618471 /nfs/dbraw/zinc/61/84/71/449618471.db2.gz UKPBJVMBMJQOTQ-OWYHZJEWSA-N 2 2 343.471 1.438 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000617449616 449618476 /nfs/dbraw/zinc/61/84/76/449618476.db2.gz UKPBJVMBMJQOTQ-OWYHZJEWSA-N 2 2 343.471 1.438 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000617449616 449618482 /nfs/dbraw/zinc/61/84/82/449618482.db2.gz UKPBJVMBMJQOTQ-OWYHZJEWSA-N 2 2 343.471 1.438 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC000617449616 449618487 /nfs/dbraw/zinc/61/84/87/449618487.db2.gz UKPBJVMBMJQOTQ-OWYHZJEWSA-N 2 2 343.471 1.438 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC000601007307 449649576 /nfs/dbraw/zinc/64/95/76/449649576.db2.gz CHPZIRNYJOGPEU-HOTGVXAUSA-N 2 2 331.464 1.663 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC000601007307 449649582 /nfs/dbraw/zinc/64/95/82/449649582.db2.gz CHPZIRNYJOGPEU-HOTGVXAUSA-N 2 2 331.464 1.663 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[nH+]c12 ZINC000617504664 449650110 /nfs/dbraw/zinc/65/01/10/449650110.db2.gz DTRCUJNOQNCILR-INIZCTEOSA-N 3 2 345.491 1.573 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[nH+]c12 ZINC000617504664 449650115 /nfs/dbraw/zinc/65/01/15/449650115.db2.gz DTRCUJNOQNCILR-INIZCTEOSA-N 3 2 345.491 1.573 20 0 EDADLP Cc1ccc(-c2nc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cs2)cc1 ZINC000594737066 449657545 /nfs/dbraw/zinc/65/75/45/449657545.db2.gz XUTIFWGZIBGELO-CVEARBPZSA-N 2 2 342.468 1.862 20 0 EDADLP Cc1ccc(-c2nc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cs2)cc1 ZINC000594737066 449657550 /nfs/dbraw/zinc/65/75/50/449657550.db2.gz XUTIFWGZIBGELO-CVEARBPZSA-N 2 2 342.468 1.862 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000607904590 449663176 /nfs/dbraw/zinc/66/31/76/449663176.db2.gz XSGMKMUZVVDVDS-NVXWUHKLSA-N 2 2 325.497 1.581 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000607904590 449663179 /nfs/dbraw/zinc/66/31/79/449663179.db2.gz XSGMKMUZVVDVDS-NVXWUHKLSA-N 2 2 325.497 1.581 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)cn1 ZINC000601002646 449646600 /nfs/dbraw/zinc/64/66/00/449646600.db2.gz WOMQZLKJOUBHRG-KRWDZBQOSA-N 2 2 333.480 1.422 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)cn1 ZINC000601002646 449646607 /nfs/dbraw/zinc/64/66/07/449646607.db2.gz WOMQZLKJOUBHRG-KRWDZBQOSA-N 2 2 333.480 1.422 20 0 EDADLP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000601002646 449646615 /nfs/dbraw/zinc/64/66/15/449646615.db2.gz WOMQZLKJOUBHRG-KRWDZBQOSA-N 2 2 333.480 1.422 20 0 EDADLP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000601002646 449646621 /nfs/dbraw/zinc/64/66/21/449646621.db2.gz WOMQZLKJOUBHRG-KRWDZBQOSA-N 2 2 333.480 1.422 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@H](O)C(F)(F)F)CC1 ZINC000602744576 449778279 /nfs/dbraw/zinc/77/82/79/449778279.db2.gz SBEHVUFJDJVKQU-GWCFXTLKSA-N 2 2 326.359 1.305 20 0 EDADLP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1C ZINC000594874657 449789554 /nfs/dbraw/zinc/78/95/54/449789554.db2.gz MVOTYQBYVGOYCL-DOTOQJQBSA-N 2 2 329.444 1.558 20 0 EDADLP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1C ZINC000594874657 449789556 /nfs/dbraw/zinc/78/95/56/449789556.db2.gz MVOTYQBYVGOYCL-DOTOQJQBSA-N 2 2 329.444 1.558 20 0 EDADLP COC(=O)CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCCO1 ZINC000597007600 449763391 /nfs/dbraw/zinc/76/33/91/449763391.db2.gz FWJOZOZJRADYKD-KRWDZBQOSA-N 2 2 344.415 1.811 20 0 EDADLP COC(=O)CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCCO1 ZINC000597007600 449763395 /nfs/dbraw/zinc/76/33/95/449763395.db2.gz FWJOZOZJRADYKD-KRWDZBQOSA-N 2 2 344.415 1.811 20 0 EDADLP C[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)C[NH+]1CCN(C)CC1 ZINC000608313883 449804435 /nfs/dbraw/zinc/80/44/35/449804435.db2.gz QUIITJBIMXCNMJ-CQSZACIVSA-N 2 2 330.436 1.339 20 0 EDADLP CC(C)[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCN(C)CC1 ZINC000608313401 449805179 /nfs/dbraw/zinc/80/51/79/449805179.db2.gz RPXNSESTNCNMFP-INIZCTEOSA-N 2 2 344.463 1.728 20 0 EDADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000601295943 449805971 /nfs/dbraw/zinc/80/59/71/449805971.db2.gz KBXMLOVUWLSKBE-IHRRRGAJSA-N 2 2 344.415 1.589 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)ccc1-n1cccn1 ZINC000617763927 449824563 /nfs/dbraw/zinc/82/45/63/449824563.db2.gz BRSOGGOLJHPPSO-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)ccc1-n1cccn1 ZINC000617763927 449824568 /nfs/dbraw/zinc/82/45/68/449824568.db2.gz BRSOGGOLJHPPSO-UHFFFAOYSA-N 2 2 347.438 1.625 20 0 EDADLP Cc1cccc(C(=O)N[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617768654 449833624 /nfs/dbraw/zinc/83/36/24/449833624.db2.gz OJODBLPMUGRQGR-MRXNPFEDSA-N 2 2 348.491 1.113 20 0 EDADLP Cc1cccc(C(=O)N[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617768654 449833630 /nfs/dbraw/zinc/83/36/30/449833630.db2.gz OJODBLPMUGRQGR-MRXNPFEDSA-N 2 2 348.491 1.113 20 0 EDADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000599295524 449871068 /nfs/dbraw/zinc/87/10/68/449871068.db2.gz OKYYZEPDWQCKQL-ULQDDVLXSA-N 2 2 326.481 1.887 20 0 EDADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000599295524 449871073 /nfs/dbraw/zinc/87/10/73/449871073.db2.gz OKYYZEPDWQCKQL-ULQDDVLXSA-N 2 2 326.481 1.887 20 0 EDADLP CCOC(=O)C[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000599295524 449871082 /nfs/dbraw/zinc/87/10/82/449871082.db2.gz OKYYZEPDWQCKQL-ULQDDVLXSA-N 2 2 326.481 1.887 20 0 EDADLP CCOC(=O)C[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000599295524 449871085 /nfs/dbraw/zinc/87/10/85/449871085.db2.gz OKYYZEPDWQCKQL-ULQDDVLXSA-N 2 2 326.481 1.887 20 0 EDADLP c1cc2n(n1)C[C@H](C[NH2+]CC1([NH+]3CCSCC3)CCCC1)CN2 ZINC000595141466 449897531 /nfs/dbraw/zinc/89/75/31/449897531.db2.gz MXHNWPIAUSPRKH-OAHLLOKOSA-N 2 2 335.521 1.876 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000612895337 449931705 /nfs/dbraw/zinc/93/17/05/449931705.db2.gz BMBSCHXNJLAEJR-YQQAZPJKSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000612895337 449931708 /nfs/dbraw/zinc/93/17/08/449931708.db2.gz BMBSCHXNJLAEJR-YQQAZPJKSA-N 2 2 338.402 1.761 20 0 EDADLP C[C@]1(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000612868111 449917552 /nfs/dbraw/zinc/91/75/52/449917552.db2.gz NBXPKEBPJMZLHZ-WMZOPIPTSA-N 2 2 332.448 1.111 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000613126974 450036994 /nfs/dbraw/zinc/03/69/94/450036994.db2.gz ARELJJRPCRLQSC-HUUCEWRRSA-N 2 2 343.431 1.175 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000615281572 450045567 /nfs/dbraw/zinc/04/55/67/450045567.db2.gz ROYHBCSFLAVHJF-HNNXBMFYSA-N 2 2 333.480 1.102 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000615281572 450045574 /nfs/dbraw/zinc/04/55/74/450045574.db2.gz ROYHBCSFLAVHJF-HNNXBMFYSA-N 2 2 333.480 1.102 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCOC ZINC000613160311 450057044 /nfs/dbraw/zinc/05/70/44/450057044.db2.gz CMMYZTLFXARGMJ-ARFHVFGLSA-N 2 2 334.464 1.483 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCOC ZINC000613160311 450057052 /nfs/dbraw/zinc/05/70/52/450057052.db2.gz CMMYZTLFXARGMJ-ARFHVFGLSA-N 2 2 334.464 1.483 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000613240687 450096583 /nfs/dbraw/zinc/09/65/83/450096583.db2.gz IBGZZGINFGEICW-IAGOWNOFSA-N 2 2 339.443 1.951 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000618548115 450237081 /nfs/dbraw/zinc/23/70/81/450237081.db2.gz JHYXOXQKTSSRBF-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000618548115 450237085 /nfs/dbraw/zinc/23/70/85/450237085.db2.gz JHYXOXQKTSSRBF-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000618547839 450237991 /nfs/dbraw/zinc/23/79/91/450237991.db2.gz FUQLPAQBZJMKNF-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000618547839 450237996 /nfs/dbraw/zinc/23/79/96/450237996.db2.gz FUQLPAQBZJMKNF-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCC[C@@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000618547839 450237998 /nfs/dbraw/zinc/23/79/98/450237998.db2.gz FUQLPAQBZJMKNF-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCC[C@@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000618547839 450238003 /nfs/dbraw/zinc/23/80/03/450238003.db2.gz FUQLPAQBZJMKNF-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623408759 450517099 /nfs/dbraw/zinc/51/70/99/450517099.db2.gz COMKKZSHYGDWJX-AWEZNQCLSA-N 2 2 332.427 1.132 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000620723006 450532553 /nfs/dbraw/zinc/53/25/53/450532553.db2.gz KKHWTPVSOTWBDT-GOSISDBHSA-N 2 2 341.459 1.206 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000620723006 450532554 /nfs/dbraw/zinc/53/25/54/450532554.db2.gz KKHWTPVSOTWBDT-GOSISDBHSA-N 2 2 341.459 1.206 20 0 EDADLP FCCC[NH+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000626069726 450567112 /nfs/dbraw/zinc/56/71/12/450567112.db2.gz IJMSBRWNEPRMFQ-UHFFFAOYSA-N 2 2 335.467 1.996 20 0 EDADLP C[N@H+](C[C@H](O)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C1CC1 ZINC000626075210 450568520 /nfs/dbraw/zinc/56/85/20/450568520.db2.gz AZUUSRWBJOQWOV-IBGZPJMESA-N 2 2 342.487 1.741 20 0 EDADLP C[N@@H+](C[C@H](O)CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C1CC1 ZINC000626075210 450568524 /nfs/dbraw/zinc/56/85/24/450568524.db2.gz AZUUSRWBJOQWOV-IBGZPJMESA-N 2 2 342.487 1.741 20 0 EDADLP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000633017173 450612765 /nfs/dbraw/zinc/61/27/65/450612765.db2.gz SGABSUKTVCDFEQ-UHFFFAOYSA-N 2 2 345.447 1.469 20 0 EDADLP c1cnc(CC[NH+]2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cn1 ZINC000631535235 450641736 /nfs/dbraw/zinc/64/17/36/450641736.db2.gz UYZCHVITDFYBKB-UHFFFAOYSA-N 2 2 339.447 1.232 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000623952126 450649195 /nfs/dbraw/zinc/64/91/95/450649195.db2.gz UFJFLXPPQZRGGC-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000623952126 450649197 /nfs/dbraw/zinc/64/91/97/450649197.db2.gz UFJFLXPPQZRGGC-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624001838 450666058 /nfs/dbraw/zinc/66/60/58/450666058.db2.gz ODUYNARKRYYCHY-JTQLQIEISA-N 2 2 333.827 1.233 20 0 EDADLP CNS(=O)(=O)CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000621304002 450667707 /nfs/dbraw/zinc/66/77/07/450667707.db2.gz VUROPANMPXXAIU-UHFFFAOYSA-N 2 2 336.461 1.367 20 0 EDADLP [NH3+][C@H]1CCCCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000633085927 450670525 /nfs/dbraw/zinc/67/05/25/450670525.db2.gz HMPVHODHCIDPOY-KBPBESRZSA-N 2 2 333.436 1.193 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)[C@@H]1CCC[NH+]1C1CC1 ZINC000629436253 450681345 /nfs/dbraw/zinc/68/13/45/450681345.db2.gz UVHKDTGMJHTSBT-MSOLQXFVSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@@H]1CCC[NH+]1C1CC1 ZINC000629436253 450681350 /nfs/dbraw/zinc/68/13/50/450681350.db2.gz UVHKDTGMJHTSBT-MSOLQXFVSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000629436253 450681353 /nfs/dbraw/zinc/68/13/53/450681353.db2.gz UVHKDTGMJHTSBT-MSOLQXFVSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000629436253 450681361 /nfs/dbraw/zinc/68/13/61/450681361.db2.gz UVHKDTGMJHTSBT-MSOLQXFVSA-N 2 2 344.459 1.025 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000629535743 450727272 /nfs/dbraw/zinc/72/72/72/450727272.db2.gz DPZIBNVBCSPQCS-IPYPFGDCSA-N 2 2 325.478 1.728 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000629564695 450739854 /nfs/dbraw/zinc/73/98/54/450739854.db2.gz AXMIXKCLAMOAEC-UHFFFAOYSA-N 2 2 333.354 1.812 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000629564695 450739860 /nfs/dbraw/zinc/73/98/60/450739860.db2.gz AXMIXKCLAMOAEC-UHFFFAOYSA-N 2 2 333.354 1.812 20 0 EDADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000629573371 450742654 /nfs/dbraw/zinc/74/26/54/450742654.db2.gz AQMPZDIFLKTMGV-ZDUSSCGKSA-N 2 2 346.880 1.290 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592132 450753077 /nfs/dbraw/zinc/75/30/77/450753077.db2.gz AJGCSGUGWBPXBW-KDURUIRLSA-N 2 2 331.460 1.381 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592132 450753082 /nfs/dbraw/zinc/75/30/82/450753082.db2.gz AJGCSGUGWBPXBW-KDURUIRLSA-N 2 2 331.460 1.381 20 0 EDADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000631863614 450833359 /nfs/dbraw/zinc/83/33/59/450833359.db2.gz BSIODLJNXILSSU-CVEARBPZSA-N 2 2 347.503 1.861 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@]34CCC[C@@H]3C[NH2+]C4)CC2)c1 ZINC000631867832 450835367 /nfs/dbraw/zinc/83/53/67/450835367.db2.gz LVMUPNAHAAHQCM-XLIONFOSSA-N 2 2 342.487 1.375 20 0 EDADLP [NH3+][C@]12CCC[C@@H]1CN(CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000621781936 450866382 /nfs/dbraw/zinc/86/63/82/450866382.db2.gz KHFGONVWTGBHOC-QAPCUYQASA-N 2 2 348.516 1.206 20 0 EDADLP CCn1ncc(Cl)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621866412 450906305 /nfs/dbraw/zinc/90/63/05/450906305.db2.gz VGXNBDFVLWICLX-GFCCVEGCSA-N 2 2 339.871 1.455 20 0 EDADLP CCn1ncc(Cl)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621866412 450906309 /nfs/dbraw/zinc/90/63/09/450906309.db2.gz VGXNBDFVLWICLX-GFCCVEGCSA-N 2 2 339.871 1.455 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+](C)C3CCC3)c[nH+]2)C[C@@H](C)O1 ZINC000629948947 450908517 /nfs/dbraw/zinc/90/85/17/450908517.db2.gz STZGYEDBMXBAHZ-HUUCEWRRSA-N 2 2 346.475 1.796 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)C3CCC3)c[nH+]2)C[C@@H](C)O1 ZINC000629948947 450908518 /nfs/dbraw/zinc/90/85/18/450908518.db2.gz STZGYEDBMXBAHZ-HUUCEWRRSA-N 2 2 346.475 1.796 20 0 EDADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000631960402 450916844 /nfs/dbraw/zinc/91/68/44/450916844.db2.gz OIZWKOGOJQKSKE-MRXNPFEDSA-N 2 2 328.416 1.653 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000626924238 451007351 /nfs/dbraw/zinc/00/73/51/451007351.db2.gz LFJCKPCIJYMQJV-ZWKOTPCHSA-N 2 2 346.475 1.459 20 0 EDADLP C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632075508 451018434 /nfs/dbraw/zinc/01/84/34/451018434.db2.gz UQDUNTGCTNQYHY-UHFFFAOYSA-N 2 2 331.526 1.607 20 0 EDADLP CCOc1ccc(C[C@H](C)CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000633797132 451020913 /nfs/dbraw/zinc/02/09/13/451020913.db2.gz SQXFGJMSFPAFJX-RDJZCZTQSA-N 2 2 348.491 1.548 20 0 EDADLP CCOc1ccc(C[C@H](C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000633797132 451020916 /nfs/dbraw/zinc/02/09/16/451020916.db2.gz SQXFGJMSFPAFJX-RDJZCZTQSA-N 2 2 348.491 1.548 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000626945717 451025769 /nfs/dbraw/zinc/02/57/69/451025769.db2.gz MBUOFWOVJATTMF-STQMWFEESA-N 2 2 347.385 1.832 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635550837 451046285 /nfs/dbraw/zinc/04/62/85/451046285.db2.gz JIFQCWRZXSSGSH-MRXNPFEDSA-N 3 2 334.508 1.147 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635550837 451046290 /nfs/dbraw/zinc/04/62/90/451046290.db2.gz JIFQCWRZXSSGSH-MRXNPFEDSA-N 3 2 334.508 1.147 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000633865064 451052804 /nfs/dbraw/zinc/05/28/04/451052804.db2.gz BHARWPJTAUKPST-JKSUJKDBSA-N 3 2 339.528 1.183 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000633865064 451052807 /nfs/dbraw/zinc/05/28/07/451052807.db2.gz BHARWPJTAUKPST-JKSUJKDBSA-N 3 2 339.528 1.183 20 0 EDADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000633865064 451052810 /nfs/dbraw/zinc/05/28/10/451052810.db2.gz BHARWPJTAUKPST-JKSUJKDBSA-N 3 2 339.528 1.183 20 0 EDADLP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000633865064 451052813 /nfs/dbraw/zinc/05/28/13/451052813.db2.gz BHARWPJTAUKPST-JKSUJKDBSA-N 3 2 339.528 1.183 20 0 EDADLP C[NH+]1CCC(CC(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC000633896294 451079127 /nfs/dbraw/zinc/07/91/27/451079127.db2.gz KLHWDZJSZKLIJN-UHFFFAOYSA-N 2 2 331.460 1.768 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC[NH+]1CCSCC1 ZINC000635551824 451048877 /nfs/dbraw/zinc/04/88/77/451048877.db2.gz OUOWDEIKRCQWJM-NSHDSACASA-N 2 2 336.383 1.542 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000628061684 451112246 /nfs/dbraw/zinc/11/22/46/451112246.db2.gz NFMXTUQHFYRLDS-HNNXBMFYSA-N 2 2 337.439 1.377 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000628061684 451112250 /nfs/dbraw/zinc/11/22/50/451112250.db2.gz NFMXTUQHFYRLDS-HNNXBMFYSA-N 2 2 337.439 1.377 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121962 451145426 /nfs/dbraw/zinc/14/54/26/451145426.db2.gz DPSJWOOTPIJZME-UHFFFAOYSA-N 2 2 341.415 1.204 20 0 EDADLP O[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)[C@@H]1CCCO1 ZINC000630384624 451159847 /nfs/dbraw/zinc/15/98/47/451159847.db2.gz BKLOFNMYDFVMTP-KBPBESRZSA-N 2 2 326.360 1.162 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000632287642 451174239 /nfs/dbraw/zinc/17/42/39/451174239.db2.gz QFAPCKDMIKFYKS-MRXNPFEDSA-N 2 2 339.461 1.350 20 0 EDADLP CN(C)[C@@H](C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1c[nH+]cn1C ZINC000634094960 451191098 /nfs/dbraw/zinc/19/10/98/451191098.db2.gz GQIYWLPCUSPPMQ-MRXNPFEDSA-N 2 2 345.451 1.125 20 0 EDADLP C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193961 451230171 /nfs/dbraw/zinc/23/01/71/451230171.db2.gz NZXTXWVDARDOEA-ZIAGYGMSSA-N 2 2 330.432 1.777 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000627237249 451203840 /nfs/dbraw/zinc/20/38/40/451203840.db2.gz IZAJEGBAYACXQN-LSDHHAIUSA-N 2 2 346.479 1.490 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635734537 451206371 /nfs/dbraw/zinc/20/63/71/451206371.db2.gz ONBYVTLZTCTBHU-KBAYOESNSA-N 3 2 338.540 1.732 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635734537 451206375 /nfs/dbraw/zinc/20/63/75/451206375.db2.gz ONBYVTLZTCTBHU-KBAYOESNSA-N 3 2 338.540 1.732 20 0 EDADLP C[C@H]1C[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC[N@@H+]1C ZINC000634194303 451231473 /nfs/dbraw/zinc/23/14/73/451231473.db2.gz RYNODJWRCXTLAA-GJZGRUSLSA-N 3 2 331.464 1.502 20 0 EDADLP C[C@H]1C[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC[N@H+]1C ZINC000634194303 451231476 /nfs/dbraw/zinc/23/14/76/451231476.db2.gz RYNODJWRCXTLAA-GJZGRUSLSA-N 3 2 331.464 1.502 20 0 EDADLP C[N@H+](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1)[C@H]1CCSC1 ZINC000634196132 451233343 /nfs/dbraw/zinc/23/33/43/451233343.db2.gz MKEMECSIHZRGKN-HNNXBMFYSA-N 2 2 349.504 1.209 20 0 EDADLP C[N@@H+](CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1)[C@H]1CCSC1 ZINC000634196132 451233347 /nfs/dbraw/zinc/23/33/47/451233347.db2.gz MKEMECSIHZRGKN-HNNXBMFYSA-N 2 2 349.504 1.209 20 0 EDADLP C[N@H+](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@H]1CCSC1 ZINC000634196132 451233351 /nfs/dbraw/zinc/23/33/51/451233351.db2.gz MKEMECSIHZRGKN-HNNXBMFYSA-N 3 2 349.504 1.209 20 0 EDADLP C[N@@H+](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@H]1CCSC1 ZINC000634196132 451233354 /nfs/dbraw/zinc/23/33/54/451233354.db2.gz MKEMECSIHZRGKN-HNNXBMFYSA-N 3 2 349.504 1.209 20 0 EDADLP Cc1nc(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)cc[nH+]1 ZINC000635796279 451245118 /nfs/dbraw/zinc/24/51/18/451245118.db2.gz CGOXFKGDZRJYID-UHFFFAOYSA-N 2 2 329.448 1.310 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000638098076 451262876 /nfs/dbraw/zinc/26/28/76/451262876.db2.gz ZAIMGEUZUNKJHZ-QGZVFWFLSA-N 2 2 342.443 1.969 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[C@H](C)C1 ZINC000635818830 451266279 /nfs/dbraw/zinc/26/62/79/451266279.db2.gz MRJUUIJBRHSHDY-AGIUHOORSA-N 2 2 348.369 1.290 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[C@H](C)C1 ZINC000635818830 451266282 /nfs/dbraw/zinc/26/62/82/451266282.db2.gz MRJUUIJBRHSHDY-AGIUHOORSA-N 2 2 348.369 1.290 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000634303939 451287529 /nfs/dbraw/zinc/28/75/29/451287529.db2.gz NMDBJMQWMJBLOH-INIZCTEOSA-N 2 2 346.500 1.878 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000634303939 451287535 /nfs/dbraw/zinc/28/75/35/451287535.db2.gz NMDBJMQWMJBLOH-INIZCTEOSA-N 2 2 346.500 1.878 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC[N@@H+]1C ZINC000630624423 451283577 /nfs/dbraw/zinc/28/35/77/451283577.db2.gz GQXJYVNRTRHCAF-JKSUJKDBSA-N 2 2 332.448 1.265 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC[N@H+]1C ZINC000630624423 451283579 /nfs/dbraw/zinc/28/35/79/451283579.db2.gz GQXJYVNRTRHCAF-JKSUJKDBSA-N 2 2 332.448 1.265 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[NH+](CC)CC ZINC000634511517 451378518 /nfs/dbraw/zinc/37/85/18/451378518.db2.gz RLNMVTGAPPCTRI-QGZVFWFLSA-N 2 2 333.480 1.284 20 0 EDADLP CO[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000632548949 451390210 /nfs/dbraw/zinc/39/02/10/451390210.db2.gz ZTBBYMNOWMVBQD-HRCADAONSA-N 2 2 349.541 1.135 20 0 EDADLP CO[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000632548949 451390212 /nfs/dbraw/zinc/39/02/12/451390212.db2.gz ZTBBYMNOWMVBQD-HRCADAONSA-N 2 2 349.541 1.135 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000638271515 451390687 /nfs/dbraw/zinc/39/06/87/451390687.db2.gz AOJXVWQIDXAUHZ-GOSISDBHSA-N 2 2 340.427 1.434 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([N@H+]4CCOC[C@@H]4C)CC3)cc2[nH+]1 ZINC000635948865 451390543 /nfs/dbraw/zinc/39/05/43/451390543.db2.gz TWOZRPGNTSUXHE-HNNXBMFYSA-N 2 2 342.443 1.968 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([N@@H+]4CCOC[C@@H]4C)CC3)cc2[nH+]1 ZINC000635948865 451390548 /nfs/dbraw/zinc/39/05/48/451390548.db2.gz TWOZRPGNTSUXHE-HNNXBMFYSA-N 2 2 342.443 1.968 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635893582 451338118 /nfs/dbraw/zinc/33/81/18/451338118.db2.gz VFYYTUCJYDLYAZ-UHFFFAOYSA-N 2 2 346.475 1.397 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638288029 451404022 /nfs/dbraw/zinc/40/40/22/451404022.db2.gz YVHOGVHVJSLKFA-KBAYOESNSA-N 2 2 332.492 1.244 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638288029 451404026 /nfs/dbraw/zinc/40/40/26/451404026.db2.gz YVHOGVHVJSLKFA-KBAYOESNSA-N 2 2 332.492 1.244 20 0 EDADLP CC(C)[C@@H](CNC(=O)Nc1ccnc(C[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000640605075 451451716 /nfs/dbraw/zinc/45/17/16/451451716.db2.gz QBORSSFJLQAEIT-QGZVFWFLSA-N 2 2 349.479 1.622 20 0 EDADLP CN(C)c1ccc(CNC(=O)Nc2ccnc(C[NH+](C)C)c2)c[nH+]1 ZINC000640605768 451453351 /nfs/dbraw/zinc/45/33/51/451453351.db2.gz LNJWFCZGQQXIQC-UHFFFAOYSA-N 2 2 328.420 1.926 20 0 EDADLP Cc1cc(CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000638354889 451455870 /nfs/dbraw/zinc/45/58/70/451455870.db2.gz XKYMQFNIDNFKBQ-GOSISDBHSA-N 2 2 326.444 1.774 20 0 EDADLP Cc1cc(CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)cc(C)[nH+]1 ZINC000638354889 451455875 /nfs/dbraw/zinc/45/58/75/451455875.db2.gz XKYMQFNIDNFKBQ-GOSISDBHSA-N 2 2 326.444 1.774 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000636092397 451510713 /nfs/dbraw/zinc/51/07/13/451510713.db2.gz TWQJKNBGZMSQDP-MSOLQXFVSA-N 2 2 345.487 1.977 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CCCN1 ZINC000638439930 451517880 /nfs/dbraw/zinc/51/78/80/451517880.db2.gz GIAFHACLVMWFBY-KRWDZBQOSA-N 2 2 347.459 1.156 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000638439913 451518623 /nfs/dbraw/zinc/51/86/23/451518623.db2.gz DJPKBUCODQEWKP-UHFFFAOYSA-N 2 2 345.447 1.299 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638455294 451524385 /nfs/dbraw/zinc/52/43/85/451524385.db2.gz TXOREAJPHSGJFV-UHFFFAOYSA-N 2 2 327.432 1.989 20 0 EDADLP c1cn(CCC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000631030190 451541559 /nfs/dbraw/zinc/54/15/59/451541559.db2.gz MKILPPZCOUTQNG-UHFFFAOYSA-N 3 2 344.459 1.774 20 0 EDADLP c1cn(CCC[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)c[nH+]1 ZINC000631030190 451541565 /nfs/dbraw/zinc/54/15/65/451541565.db2.gz MKILPPZCOUTQNG-UHFFFAOYSA-N 2 2 344.459 1.774 20 0 EDADLP CN1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631049568 451553803 /nfs/dbraw/zinc/55/38/03/451553803.db2.gz JYDQGQUEDDZNFN-GOSISDBHSA-N 2 2 333.476 1.581 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)CCc2ccccc2)[C@@H](C)CO1 ZINC000636172655 451564225 /nfs/dbraw/zinc/56/42/25/451564225.db2.gz ZYGXMKBRBCIJMY-DLBZAZTESA-N 2 2 333.476 1.386 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)CCc2ccccc2)[C@@H](C)CO1 ZINC000636172655 451564230 /nfs/dbraw/zinc/56/42/30/451564230.db2.gz ZYGXMKBRBCIJMY-DLBZAZTESA-N 2 2 333.476 1.386 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](C)CO1 ZINC000636172655 451564234 /nfs/dbraw/zinc/56/42/34/451564234.db2.gz ZYGXMKBRBCIJMY-DLBZAZTESA-N 2 2 333.476 1.386 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](C)CO1 ZINC000636172655 451564237 /nfs/dbraw/zinc/56/42/37/451564237.db2.gz ZYGXMKBRBCIJMY-DLBZAZTESA-N 2 2 333.476 1.386 20 0 EDADLP O=C1C[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CCCN1 ZINC000638595705 451596808 /nfs/dbraw/zinc/59/68/08/451596808.db2.gz VPHHWODTPJUYFM-HNNXBMFYSA-N 2 2 325.522 1.996 20 0 EDADLP C[N@@H+](CC(=O)N(CC[NH+]1CCOCC1)CC1CC1)CC(C)(C)C ZINC000636225167 451601953 /nfs/dbraw/zinc/60/19/53/451601953.db2.gz SYPHTIPKDXHKIA-UHFFFAOYSA-N 2 2 325.497 1.535 20 0 EDADLP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636230940 451606691 /nfs/dbraw/zinc/60/66/91/451606691.db2.gz SLGVEKZXMLBUQB-RRFJBIMHSA-N 2 2 332.448 1.615 20 0 EDADLP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636230940 451606694 /nfs/dbraw/zinc/60/66/94/451606694.db2.gz SLGVEKZXMLBUQB-RRFJBIMHSA-N 2 2 332.448 1.615 20 0 EDADLP COc1cncc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1C ZINC000631097880 451581467 /nfs/dbraw/zinc/58/14/67/451581467.db2.gz HEXMFRUSVADALA-KRWDZBQOSA-N 2 2 341.459 2.546 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631169433 451621203 /nfs/dbraw/zinc/62/12/03/451621203.db2.gz RWUKJXHCWNALTA-KDURUIRLSA-N 3 2 347.503 1.827 20 0 EDADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(CC34CC(C3)C[NH2+]4)CC2)n1 ZINC000634993536 451640021 /nfs/dbraw/zinc/64/00/21/451640021.db2.gz XPDSHCILWSCORD-TUBUQKNSSA-N 2 2 335.452 1.037 20 0 EDADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(CC34CC(C3)C[NH2+]4)CC2)n1 ZINC000634993536 451640026 /nfs/dbraw/zinc/64/00/26/451640026.db2.gz XPDSHCILWSCORD-TUBUQKNSSA-N 2 2 335.452 1.037 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636292838 451661669 /nfs/dbraw/zinc/66/16/69/451661669.db2.gz OWCJDJKVGJLQAK-UHFFFAOYSA-N 2 2 341.459 1.788 20 0 EDADLP CCn1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C2CC2)n1 ZINC000631277593 451678294 /nfs/dbraw/zinc/67/82/94/451678294.db2.gz ZXQUVPISOQEZGG-UHFFFAOYSA-N 2 2 347.507 1.878 20 0 EDADLP CCn1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C2CC2)n1 ZINC000631277593 451678299 /nfs/dbraw/zinc/67/82/99/451678299.db2.gz ZXQUVPISOQEZGG-UHFFFAOYSA-N 2 2 347.507 1.878 20 0 EDADLP COc1cc[nH+]c(Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)c1OC ZINC000640941737 451698790 /nfs/dbraw/zinc/69/87/90/451698790.db2.gz CPKTYRVEPJGRFY-OAHLLOKOSA-N 2 2 333.392 1.165 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636467342 451722144 /nfs/dbraw/zinc/72/21/44/451722144.db2.gz HFJNJZLFXSNKHQ-ZFWWWQNUSA-N 2 2 329.404 1.537 20 0 EDADLP COc1cccc([C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[NH+](C)C)c1 ZINC000636473117 451725490 /nfs/dbraw/zinc/72/54/90/451725490.db2.gz RPFDLDFGGCMBDT-WMLDXEAASA-N 2 2 343.431 1.419 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636500462 451738722 /nfs/dbraw/zinc/73/87/22/451738722.db2.gz ARZNVVXUOFQSNP-KRWDZBQOSA-N 2 2 339.443 1.903 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1Cc1ccccc1 ZINC000637150641 451741566 /nfs/dbraw/zinc/74/15/66/451741566.db2.gz PVMRDBGSFQLMIW-KYJSFNMBSA-N 2 2 339.443 1.770 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000638967987 451743256 /nfs/dbraw/zinc/74/32/56/451743256.db2.gz NAVCASZREIPARB-JCNLHEQBSA-N 2 2 331.460 1.766 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H](C)[NH3+] ZINC000638989181 451748439 /nfs/dbraw/zinc/74/84/39/451748439.db2.gz MWEMYVHAZZDGNK-CZUORRHYSA-N 2 2 336.505 1.870 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639019142 451752692 /nfs/dbraw/zinc/75/26/92/451752692.db2.gz CRECDISGPXAGIL-BBRMVZONSA-N 2 2 326.400 1.792 20 0 EDADLP COc1cc(C)[nH+]c(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000641154976 451763929 /nfs/dbraw/zinc/76/39/29/451763929.db2.gz MRJGMIDCEDPDDV-UHFFFAOYSA-N 3 2 330.436 1.004 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@@H]1CO ZINC000639089294 451766358 /nfs/dbraw/zinc/76/63/58/451766358.db2.gz FPYGCUQHAXSFQQ-QFBILLFUSA-N 2 2 334.460 1.600 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@@H]1CO ZINC000639089294 451766360 /nfs/dbraw/zinc/76/63/60/451766360.db2.gz FPYGCUQHAXSFQQ-QFBILLFUSA-N 2 2 334.460 1.600 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000639162811 451782546 /nfs/dbraw/zinc/78/25/46/451782546.db2.gz COKMSVMWUMEHHC-UHFFFAOYSA-N 2 2 339.455 1.967 20 0 EDADLP CC1CC[NH+](CCCNc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000642092710 451818751 /nfs/dbraw/zinc/81/87/51/451818751.db2.gz DKHMJUOBKDTCPW-UHFFFAOYSA-N 2 2 343.475 1.412 20 0 EDADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000644510001 451829363 /nfs/dbraw/zinc/82/93/63/451829363.db2.gz MVQPIGAIGGCJNS-CABCVRRESA-N 2 2 340.387 1.729 20 0 EDADLP C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000641329130 451852472 /nfs/dbraw/zinc/85/24/72/451852472.db2.gz NSAOTGCLQVQUFS-CQSZACIVSA-N 2 2 337.489 1.247 20 0 EDADLP C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000641329130 451852476 /nfs/dbraw/zinc/85/24/76/451852476.db2.gz NSAOTGCLQVQUFS-CQSZACIVSA-N 2 2 337.489 1.247 20 0 EDADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637446147 451862169 /nfs/dbraw/zinc/86/21/69/451862169.db2.gz JJTUUSLMPVJOBZ-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637446147 451862171 /nfs/dbraw/zinc/86/21/71/451862171.db2.gz JJTUUSLMPVJOBZ-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCOc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000646835350 451873665 /nfs/dbraw/zinc/87/36/65/451873665.db2.gz MQRFQBGIZRIXHJ-CYBMUJFWSA-N 2 2 327.375 1.225 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCOc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000646835350 451873672 /nfs/dbraw/zinc/87/36/72/451873672.db2.gz MQRFQBGIZRIXHJ-CYBMUJFWSA-N 2 2 327.375 1.225 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000644589380 451880684 /nfs/dbraw/zinc/88/06/84/451880684.db2.gz WYXCPNDCTASGJV-XVSDVWIESA-N 2 2 347.459 1.457 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000644589380 451880688 /nfs/dbraw/zinc/88/06/88/451880688.db2.gz WYXCPNDCTASGJV-XVSDVWIESA-N 2 2 347.459 1.457 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000649209203 451905724 /nfs/dbraw/zinc/90/57/24/451905724.db2.gz GVZFAFJJJWSECD-DOTOQJQBSA-N 2 2 332.448 1.159 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000646933677 451949153 /nfs/dbraw/zinc/94/91/53/451949153.db2.gz HQTRJTRABGIKPO-FUHWJXTLSA-N 2 2 329.444 1.295 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C[NH+]3CCOCC3)[C@@H]2C1 ZINC000646933677 451949160 /nfs/dbraw/zinc/94/91/60/451949160.db2.gz HQTRJTRABGIKPO-FUHWJXTLSA-N 2 2 329.444 1.295 20 0 EDADLP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000649277595 451947021 /nfs/dbraw/zinc/94/70/21/451947021.db2.gz IFSYRHICRWLLIO-QGZVFWFLSA-N 2 2 347.459 1.475 20 0 EDADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)ncn1 ZINC000649287351 451961199 /nfs/dbraw/zinc/96/11/99/451961199.db2.gz VQCLXYDBCPFEPQ-LBPRGKRZSA-N 2 2 341.375 1.569 20 0 EDADLP COc1cc(-c2noc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)ncn1 ZINC000649287351 451961203 /nfs/dbraw/zinc/96/12/03/451961203.db2.gz VQCLXYDBCPFEPQ-LBPRGKRZSA-N 2 2 341.375 1.569 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492965 451981735 /nfs/dbraw/zinc/98/17/35/451981735.db2.gz FLNUKVMOORFZDE-LJQANCHMSA-N 3 2 341.540 1.514 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492965 451981740 /nfs/dbraw/zinc/98/17/40/451981740.db2.gz FLNUKVMOORFZDE-LJQANCHMSA-N 3 2 341.540 1.514 20 0 EDADLP [NH3+]C[C@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc(F)cc1 ZINC000649306150 451983817 /nfs/dbraw/zinc/98/38/17/451983817.db2.gz CPNZFXGCXBRVQF-SFHVURJKSA-N 2 2 327.403 2.000 20 0 EDADLP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nnn1C(C)C ZINC000644795749 451993692 /nfs/dbraw/zinc/99/36/92/451993692.db2.gz DSQVWVIZGFBHJA-CQSZACIVSA-N 2 2 334.468 1.066 20 0 EDADLP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nnn1C(C)C ZINC000644795749 451993697 /nfs/dbraw/zinc/99/36/97/451993697.db2.gz DSQVWVIZGFBHJA-CQSZACIVSA-N 2 2 334.468 1.066 20 0 EDADLP CC[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000637682563 452017304 /nfs/dbraw/zinc/01/73/04/452017304.db2.gz QSSYHBAYDRSEAJ-UHFFFAOYSA-N 2 2 349.504 1.482 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000653563343 452017629 /nfs/dbraw/zinc/01/76/29/452017629.db2.gz HOAILGIHGULBFX-IBGZPJMESA-N 2 2 347.503 1.636 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000653563343 452017635 /nfs/dbraw/zinc/01/76/35/452017635.db2.gz HOAILGIHGULBFX-IBGZPJMESA-N 2 2 347.503 1.636 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)Nc3ccccn3)CC2)CC1 ZINC000639687878 452024696 /nfs/dbraw/zinc/02/46/96/452024696.db2.gz SOXPXZCCPPUJAM-UHFFFAOYSA-N 2 2 345.491 1.512 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)Nc3ccccn3)CC2)CC1 ZINC000639687878 452024719 /nfs/dbraw/zinc/02/47/19/452024719.db2.gz SOXPXZCCPPUJAM-UHFFFAOYSA-N 2 2 345.491 1.512 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)Nc3ccccn3)CC2)CC1 ZINC000639687878 452024726 /nfs/dbraw/zinc/02/47/26/452024726.db2.gz SOXPXZCCPPUJAM-UHFFFAOYSA-N 2 2 345.491 1.512 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)Nc3ccccn3)CC2)CC1 ZINC000639687878 452024733 /nfs/dbraw/zinc/02/47/33/452024733.db2.gz SOXPXZCCPPUJAM-UHFFFAOYSA-N 2 2 345.491 1.512 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000644858423 452031581 /nfs/dbraw/zinc/03/15/81/452031581.db2.gz KEIAEQOPJVWMII-WBVHZDCISA-N 2 2 342.443 1.457 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000643077554 452033971 /nfs/dbraw/zinc/03/39/71/452033971.db2.gz STUKTRZUSXNPLP-ZIVKBKJYSA-N 2 2 339.430 1.988 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000644862543 452036418 /nfs/dbraw/zinc/03/64/18/452036418.db2.gz HDAJOACSINVAMB-HNNXBMFYSA-N 2 2 331.439 1.929 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000644862543 452036421 /nfs/dbraw/zinc/03/64/21/452036421.db2.gz HDAJOACSINVAMB-HNNXBMFYSA-N 2 2 331.439 1.929 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000649370530 452048101 /nfs/dbraw/zinc/04/81/01/452048101.db2.gz QQSWKXPDIVJRHG-QGZVFWFLSA-N 2 2 343.471 1.923 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000641535395 452066803 /nfs/dbraw/zinc/06/68/03/452066803.db2.gz NWYIZZHGSBBQIM-MRXNPFEDSA-N 2 2 348.472 1.419 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000641535395 452066808 /nfs/dbraw/zinc/06/68/08/452066808.db2.gz NWYIZZHGSBBQIM-MRXNPFEDSA-N 2 2 348.472 1.419 20 0 EDADLP O=C(CN1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649419449 452081785 /nfs/dbraw/zinc/08/17/85/452081785.db2.gz PUKHXXVMNPQRMI-DLBZAZTESA-N 2 2 348.516 1.076 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccns1 ZINC000639788181 452129311 /nfs/dbraw/zinc/12/93/11/452129311.db2.gz XSRVLLJAHQIPIU-UHFFFAOYSA-N 2 2 345.472 1.709 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccns1 ZINC000639788181 452129313 /nfs/dbraw/zinc/12/93/13/452129313.db2.gz XSRVLLJAHQIPIU-UHFFFAOYSA-N 2 2 345.472 1.709 20 0 EDADLP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641624593 452145187 /nfs/dbraw/zinc/14/51/87/452145187.db2.gz OEFRUFCFFZMOQD-GJZGRUSLSA-N 2 2 328.482 1.265 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647325611 452179296 /nfs/dbraw/zinc/17/92/96/452179296.db2.gz KJNVVDGQSBDQHB-WBVHZDCISA-N 2 2 328.464 1.643 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647325611 452179303 /nfs/dbraw/zinc/17/93/03/452179303.db2.gz KJNVVDGQSBDQHB-WBVHZDCISA-N 2 2 328.464 1.643 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C3CCS(=O)(=O)CC3)cn21 ZINC000647364359 452190271 /nfs/dbraw/zinc/19/02/71/452190271.db2.gz YUCAPAQZMHDABL-CQSZACIVSA-N 2 2 335.473 1.988 20 0 EDADLP Cc1nc(N2CCN(c3nc(N)[nH+]c4c3CCCC4)CC2)cc[nH+]1 ZINC000645211862 452212886 /nfs/dbraw/zinc/21/28/86/452212886.db2.gz JJFPZYYTGRCBKX-UHFFFAOYSA-N 2 2 325.420 1.363 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000645220872 452217173 /nfs/dbraw/zinc/21/71/73/452217173.db2.gz FHZIHQCADUIBJV-IBGZPJMESA-N 2 2 331.460 1.647 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000639897057 452223293 /nfs/dbraw/zinc/22/32/93/452223293.db2.gz XIYNCHYSNIGYHQ-ZWKOTPCHSA-N 2 2 340.508 1.475 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056962 452224834 /nfs/dbraw/zinc/22/48/34/452224834.db2.gz AMMUPOULCUEBBQ-NCOADZHNSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056962 452224837 /nfs/dbraw/zinc/22/48/37/452224837.db2.gz AMMUPOULCUEBBQ-NCOADZHNSA-N 2 2 325.497 1.865 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)no1 ZINC000641746844 452234573 /nfs/dbraw/zinc/23/45/73/452234573.db2.gz CLKBHOKVSPLTSM-KRWDZBQOSA-N 2 2 331.416 1.677 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)no1 ZINC000641746844 452234577 /nfs/dbraw/zinc/23/45/77/452234577.db2.gz CLKBHOKVSPLTSM-KRWDZBQOSA-N 2 2 331.416 1.677 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000641770974 452244329 /nfs/dbraw/zinc/24/43/29/452244329.db2.gz ANFRGNZFRIXERL-QGZVFWFLSA-N 2 2 331.464 1.665 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000641771892 452245587 /nfs/dbraw/zinc/24/55/87/452245587.db2.gz MDPJOYXMOYCDRE-HNNXBMFYSA-N 2 2 328.478 1.273 20 0 EDADLP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000649780025 452247016 /nfs/dbraw/zinc/24/70/16/452247016.db2.gz VLKQKSHXRJTPRY-KBRIMQKVSA-N 2 2 348.491 1.903 20 0 EDADLP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000649780025 452247024 /nfs/dbraw/zinc/24/70/24/452247024.db2.gz VLKQKSHXRJTPRY-KBRIMQKVSA-N 2 2 348.491 1.903 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c2nccn21 ZINC000641784965 452253864 /nfs/dbraw/zinc/25/38/64/452253864.db2.gz FUSMLPNNSVKOTM-ZACQAIPSSA-N 2 2 333.480 1.275 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655469096 452262684 /nfs/dbraw/zinc/26/26/84/452262684.db2.gz GRSVJVZALSHHDO-RDTXWAMCSA-N 2 2 330.432 1.555 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000647530126 452265472 /nfs/dbraw/zinc/26/54/72/452265472.db2.gz QMXMSGZFNXWGCK-QZTJIDSGSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000647530126 452265480 /nfs/dbraw/zinc/26/54/80/452265480.db2.gz QMXMSGZFNXWGCK-QZTJIDSGSA-N 2 2 336.476 1.480 20 0 EDADLP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000647538512 452270606 /nfs/dbraw/zinc/27/06/06/452270606.db2.gz VUOJZFKRLAEXNE-DOTOQJQBSA-N 2 2 337.489 1.892 20 0 EDADLP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 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2 337.508 1.773 20 0 EDADLP C[C@@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccn1 ZINC000658062330 452712138 /nfs/dbraw/zinc/71/21/38/452712138.db2.gz FPOMAYWOXAIUNI-KRWDZBQOSA-N 2 2 332.492 1.571 20 0 EDADLP C[C@@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccn1 ZINC000658062330 452712144 /nfs/dbraw/zinc/71/21/44/452712144.db2.gz FPOMAYWOXAIUNI-KRWDZBQOSA-N 2 2 332.492 1.571 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000647968787 452713636 /nfs/dbraw/zinc/71/36/36/452713636.db2.gz YITYZQKUSWGAHU-HOTGVXAUSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000647968787 452713644 /nfs/dbraw/zinc/71/36/44/452713644.db2.gz YITYZQKUSWGAHU-HOTGVXAUSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000647968787 452713651 /nfs/dbraw/zinc/71/36/51/452713651.db2.gz YITYZQKUSWGAHU-HOTGVXAUSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 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IFZMXJUMNVYORS-IAGOWNOFSA-N 2 2 325.497 1.281 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H]3COC(C)(C)C3)CC2)C1 ZINC000659887128 452767062 /nfs/dbraw/zinc/76/70/62/452767062.db2.gz IFZMXJUMNVYORS-IAGOWNOFSA-N 2 2 325.497 1.281 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1cccc(F)c1F ZINC000664098615 452787503 /nfs/dbraw/zinc/78/75/03/452787503.db2.gz OZXQJMVUXOEQDZ-UHFFFAOYSA-N 2 2 342.434 1.690 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1cccc(F)c1F ZINC000664098615 452787509 /nfs/dbraw/zinc/78/75/09/452787509.db2.gz OZXQJMVUXOEQDZ-UHFFFAOYSA-N 2 2 342.434 1.690 20 0 EDADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000648064687 452792409 /nfs/dbraw/zinc/79/24/09/452792409.db2.gz ILAZYPMDFDFKNC-HNNXBMFYSA-N 2 2 327.432 1.424 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000662055537 452802027 /nfs/dbraw/zinc/80/20/27/452802027.db2.gz MVXSBERVPYISLE-CYBMUJFWSA-N 2 2 346.258 1.390 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000654731040 452848773 /nfs/dbraw/zinc/84/87/73/452848773.db2.gz AWSUJLZRLBBSKY-OAGGEKHMSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000654731040 452848786 /nfs/dbraw/zinc/84/87/86/452848786.db2.gz AWSUJLZRLBBSKY-OAGGEKHMSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000654731042 452851951 /nfs/dbraw/zinc/85/19/51/452851951.db2.gz AWSUJLZRLBBSKY-PMPSAXMXSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000654731042 452851967 /nfs/dbraw/zinc/85/19/67/452851967.db2.gz AWSUJLZRLBBSKY-PMPSAXMXSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C(C)(C)CO ZINC000664183618 452852910 /nfs/dbraw/zinc/85/29/10/452852910.db2.gz UGASIDUILSFMRR-GJZGRUSLSA-N 2 2 349.479 1.263 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)CO ZINC000664183618 452852919 /nfs/dbraw/zinc/85/29/19/452852919.db2.gz UGASIDUILSFMRR-GJZGRUSLSA-N 2 2 349.479 1.263 20 0 EDADLP CC[NH+]1CCC(NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658342493 452855059 /nfs/dbraw/zinc/85/50/59/452855059.db2.gz ABARFZGBDDSSLS-FQEVSTJZSA-N 2 2 330.520 1.877 20 0 EDADLP CC[NH+]1CCC(NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658342493 452855074 /nfs/dbraw/zinc/85/50/74/452855074.db2.gz ABARFZGBDDSSLS-FQEVSTJZSA-N 2 2 330.520 1.877 20 0 EDADLP CC[NH+]1CCC([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658342493 452855086 /nfs/dbraw/zinc/85/50/86/452855086.db2.gz ABARFZGBDDSSLS-FQEVSTJZSA-N 2 2 330.520 1.877 20 0 EDADLP CCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@@H]1CC[N@H+](C)C1 ZINC000658361417 452872134 /nfs/dbraw/zinc/87/21/34/452872134.db2.gz MPKXTJBROQCLGH-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP CCN(C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@@H]1CC[N@@H+](C)C1 ZINC000658361417 452872142 /nfs/dbraw/zinc/87/21/42/452872142.db2.gz MPKXTJBROQCLGH-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)[C@@H]1CC[N@H+](C)C1 ZINC000658363980 452876435 /nfs/dbraw/zinc/87/64/35/452876435.db2.gz XQEZPFKCMYFLSX-CQSZACIVSA-N 2 2 343.431 1.373 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)[C@@H]1CC[N@@H+](C)C1 ZINC000658363980 452876443 /nfs/dbraw/zinc/87/64/43/452876443.db2.gz XQEZPFKCMYFLSX-CQSZACIVSA-N 2 2 343.431 1.373 20 0 EDADLP COc1c(C)ncnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000656151175 452905532 /nfs/dbraw/zinc/90/55/32/452905532.db2.gz GWHBHTBJPOYGED-XYPWUTKMSA-N 2 2 331.464 1.541 20 0 EDADLP COc1c(C)ncnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000656151175 452905536 /nfs/dbraw/zinc/90/55/36/452905536.db2.gz GWHBHTBJPOYGED-XYPWUTKMSA-N 2 2 331.464 1.541 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)c2cc1C ZINC000656153386 452907556 /nfs/dbraw/zinc/90/75/56/452907556.db2.gz QLMXOKSGNALIEB-IXDOHACOSA-N 3 2 330.476 1.944 20 0 EDADLP Nc1[nH+]cnc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1Cl ZINC000664235801 452910955 /nfs/dbraw/zinc/91/09/55/452910955.db2.gz GUNGNXFNTZGLCI-CYBMUJFWSA-N 2 2 333.823 1.891 20 0 EDADLP Nc1[nH+]cnc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1Cl ZINC000664235801 452910963 /nfs/dbraw/zinc/91/09/63/452910963.db2.gz GUNGNXFNTZGLCI-CYBMUJFWSA-N 2 2 333.823 1.891 20 0 EDADLP Nc1nc[nH+]c(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1Cl ZINC000664235801 452910971 /nfs/dbraw/zinc/91/09/71/452910971.db2.gz GUNGNXFNTZGLCI-CYBMUJFWSA-N 2 2 333.823 1.891 20 0 EDADLP Nc1nc[nH+]c(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1Cl ZINC000664235801 452910978 /nfs/dbraw/zinc/91/09/78/452910978.db2.gz GUNGNXFNTZGLCI-CYBMUJFWSA-N 2 2 333.823 1.891 20 0 EDADLP COCC[NH+]1CCN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000645933697 452910996 /nfs/dbraw/zinc/91/09/96/452910996.db2.gz QLVSBQAPFJWVDF-UHFFFAOYSA-N 2 2 345.447 1.159 20 0 EDADLP Cc1cc(C)cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658428280 452957393 /nfs/dbraw/zinc/95/73/93/452957393.db2.gz VTUOAZIIWQAZRO-UHFFFAOYSA-N 2 2 334.464 1.242 20 0 EDADLP Cc1cc(C)cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658428280 452957401 /nfs/dbraw/zinc/95/74/01/452957401.db2.gz VTUOAZIIWQAZRO-UHFFFAOYSA-N 2 2 334.464 1.242 20 0 EDADLP c1cc(C[NH+]2CCC(CNc3nc[nH+]c4c3OCCN4)CC2)ccn1 ZINC000664282634 452962511 /nfs/dbraw/zinc/96/25/11/452962511.db2.gz DUBFJYWLURUXCR-UHFFFAOYSA-N 2 2 340.431 2.000 20 0 EDADLP c1cc(C[NH+]2CCC(CNc3[nH+]cnc4c3OCCN4)CC2)ccn1 ZINC000664282634 452962520 /nfs/dbraw/zinc/96/25/20/452962520.db2.gz DUBFJYWLURUXCR-UHFFFAOYSA-N 2 2 340.431 2.000 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CN1C1CCCCC1 ZINC000656256004 452991333 /nfs/dbraw/zinc/99/13/33/452991333.db2.gz OTAUYUNVXSLVKI-SJLPKXTDSA-N 2 2 335.492 1.763 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+](C2CC2)C1 ZINC000650781365 452992747 /nfs/dbraw/zinc/99/27/47/452992747.db2.gz CGKBTPJKVCYPAB-QFBILLFUSA-N 2 2 342.487 1.989 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+](C2CC2)C1 ZINC000650781365 452992752 /nfs/dbraw/zinc/99/27/52/452992752.db2.gz CGKBTPJKVCYPAB-QFBILLFUSA-N 2 2 342.487 1.989 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+](C2CC2)C1 ZINC000650781365 452992760 /nfs/dbraw/zinc/99/27/60/452992760.db2.gz CGKBTPJKVCYPAB-QFBILLFUSA-N 2 2 342.487 1.989 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+](C2CC2)C1 ZINC000650781365 452992768 /nfs/dbraw/zinc/99/27/68/452992768.db2.gz CGKBTPJKVCYPAB-QFBILLFUSA-N 2 2 342.487 1.989 20 0 EDADLP COc1cccc(SCC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000662264180 452992852 /nfs/dbraw/zinc/99/28/52/452992852.db2.gz BPWIMXJDDYTWHJ-OAHLLOKOSA-N 2 2 349.500 1.684 20 0 EDADLP COc1cccc(SCC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000662264180 452992857 /nfs/dbraw/zinc/99/28/57/452992857.db2.gz BPWIMXJDDYTWHJ-OAHLLOKOSA-N 2 2 349.500 1.684 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664327994 453002868 /nfs/dbraw/zinc/00/28/68/453002868.db2.gz OLZJQXBJITXXJR-IRXDYDNUSA-N 2 2 342.528 1.620 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664327994 453002877 /nfs/dbraw/zinc/00/28/77/453002877.db2.gz OLZJQXBJITXXJR-IRXDYDNUSA-N 2 2 342.528 1.620 20 0 EDADLP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286015 453009598 /nfs/dbraw/zinc/00/95/98/453009598.db2.gz OZMFQARMLJJURO-MRXNPFEDSA-N 2 2 345.487 1.518 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000654900844 453021683 /nfs/dbraw/zinc/02/16/83/453021683.db2.gz SYSAUJIGVQITPV-HIFRSBDPSA-N 2 2 328.416 1.944 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000654900844 453021688 /nfs/dbraw/zinc/02/16/88/453021688.db2.gz SYSAUJIGVQITPV-HIFRSBDPSA-N 2 2 328.416 1.944 20 0 EDADLP COc1ccccc1[C@H]([NH3+])CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000644092259 453031153 /nfs/dbraw/zinc/03/11/53/453031153.db2.gz KAXHLYOIQNETJF-CQSZACIVSA-N 2 2 341.402 1.788 20 0 EDADLP Cc1nc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000664364480 453033515 /nfs/dbraw/zinc/03/35/15/453033515.db2.gz RAQVKSGUIHNRPP-KRWDZBQOSA-N 2 2 340.475 1.999 20 0 EDADLP Cc1nc(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000664364480 453033521 /nfs/dbraw/zinc/03/35/21/453033521.db2.gz RAQVKSGUIHNRPP-KRWDZBQOSA-N 2 2 340.475 1.999 20 0 EDADLP COCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCCC1 ZINC000662341952 453058267 /nfs/dbraw/zinc/05/82/67/453058267.db2.gz WJEQVKRAQNNSIT-UHFFFAOYSA-N 2 2 349.475 1.863 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000648437361 453086530 /nfs/dbraw/zinc/08/65/30/453086530.db2.gz YOCIPQKFPNRGHG-LBPRGKRZSA-N 2 2 327.350 1.455 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000644153952 453088023 /nfs/dbraw/zinc/08/80/23/453088023.db2.gz BVVYIZDLHPXBHA-CQSZACIVSA-N 2 2 332.448 1.145 20 0 EDADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102620 453103289 /nfs/dbraw/zinc/10/32/89/453103289.db2.gz LZGWODYXIRKYON-UHFFFAOYSA-N 2 2 339.524 1.924 20 0 EDADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102620 453103295 /nfs/dbraw/zinc/10/32/95/453103295.db2.gz LZGWODYXIRKYON-UHFFFAOYSA-N 2 2 339.524 1.924 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104277 453107022 /nfs/dbraw/zinc/10/70/22/453107022.db2.gz GZWKZZRUPSGQTE-HNNXBMFYSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104277 453107031 /nfs/dbraw/zinc/10/70/31/453107031.db2.gz GZWKZZRUPSGQTE-HNNXBMFYSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255510 453158130 /nfs/dbraw/zinc/15/81/30/453158130.db2.gz CCRSWFXDHSRBKY-TZMCWYRMSA-N 2 2 341.477 1.670 20 0 EDADLP C[C@@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255510 453158134 /nfs/dbraw/zinc/15/81/34/453158134.db2.gz CCRSWFXDHSRBKY-TZMCWYRMSA-N 2 2 341.477 1.670 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3cnnn3C3CC[NH2+]CC3)[nH+]c12 ZINC000662452182 453159373 /nfs/dbraw/zinc/15/93/73/453159373.db2.gz JANLNLRSVNTERW-UHFFFAOYSA-N 2 2 339.403 1.089 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@](C)(C(F)F)C2)CC1 ZINC000664539791 453180487 /nfs/dbraw/zinc/18/04/87/453180487.db2.gz RHGOOQGPNVXIJC-INIZCTEOSA-N 2 2 348.438 1.078 20 0 EDADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000655070402 453194604 /nfs/dbraw/zinc/19/46/04/453194604.db2.gz AHMNJFJSGABUSX-HOCLYGCPSA-N 2 2 334.489 1.532 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000662503992 453221552 /nfs/dbraw/zinc/22/15/52/453221552.db2.gz NIBUEDFBDXUSKA-MRXNPFEDSA-N 2 2 338.883 1.576 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)C1 ZINC000664598279 453232123 /nfs/dbraw/zinc/23/21/23/453232123.db2.gz GTRXYUZFAHTIPZ-OAHLLOKOSA-N 2 2 349.504 1.065 20 0 EDADLP O[C@@H]1CC[N@H+](C2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)C1 ZINC000664598279 453232130 /nfs/dbraw/zinc/23/21/30/453232130.db2.gz GTRXYUZFAHTIPZ-OAHLLOKOSA-N 2 2 349.504 1.065 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)C1 ZINC000664598279 453232133 /nfs/dbraw/zinc/23/21/33/453232133.db2.gz GTRXYUZFAHTIPZ-OAHLLOKOSA-N 2 2 349.504 1.065 20 0 EDADLP O[C@@H]1CC[N@H+](C2CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)C1 ZINC000664598279 453232138 /nfs/dbraw/zinc/23/21/38/453232138.db2.gz GTRXYUZFAHTIPZ-OAHLLOKOSA-N 2 2 349.504 1.065 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000648782678 453265780 /nfs/dbraw/zinc/26/57/80/453265780.db2.gz XVJARAAUWSEQBH-SJORKVTESA-N 2 2 349.523 1.786 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000648782678 453265783 /nfs/dbraw/zinc/26/57/83/453265783.db2.gz XVJARAAUWSEQBH-SJORKVTESA-N 2 2 349.523 1.786 20 0 EDADLP CCOCCOc1ccc(Cl)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653086426 453269334 /nfs/dbraw/zinc/26/93/34/453269334.db2.gz QUIPZHRVQMRAFX-CYBMUJFWSA-N 2 2 343.855 1.973 20 0 EDADLP COc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1OC1CCCC1 ZINC000653090474 453272756 /nfs/dbraw/zinc/27/27/56/453272756.db2.gz QCOYXMLQPLFXEJ-MRXNPFEDSA-N 2 2 349.475 1.912 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000653091987 453275070 /nfs/dbraw/zinc/27/50/70/453275070.db2.gz ONUYTDLNAMGSJY-GFCCVEGCSA-N 2 2 337.811 1.285 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@@H]1C ZINC000648788166 453275990 /nfs/dbraw/zinc/27/59/90/453275990.db2.gz UVOZIFPVQCCHKN-HOTGVXAUSA-N 2 2 336.480 1.966 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@@H]1C ZINC000648788166 453275998 /nfs/dbraw/zinc/27/59/98/453275998.db2.gz UVOZIFPVQCCHKN-HOTGVXAUSA-N 2 2 336.480 1.966 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000648798586 453284251 /nfs/dbraw/zinc/28/42/51/453284251.db2.gz OKNBNCLZXBLSFC-JKSUJKDBSA-N 2 2 334.464 1.720 20 0 EDADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nc(-c2cccc(F)c2)no1 ZINC000653101988 453284692 /nfs/dbraw/zinc/28/46/92/453284692.db2.gz LMKKHZFSBDAGKW-MFKMUULPSA-N 2 2 335.383 1.332 20 0 EDADLP O=C([C@H]1CCC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000653106001 453287789 /nfs/dbraw/zinc/28/77/89/453287789.db2.gz PGQZGBUKASJOTJ-KRWDZBQOSA-N 2 2 331.460 1.599 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1nccs1 ZINC000664655881 453290158 /nfs/dbraw/zinc/29/01/58/453290158.db2.gz QGQRDBKHVLAIEE-CYBMUJFWSA-N 2 2 327.498 1.429 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1nccs1 ZINC000664655881 453290164 /nfs/dbraw/zinc/29/01/64/453290164.db2.gz QGQRDBKHVLAIEE-CYBMUJFWSA-N 2 2 327.498 1.429 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653116394 453302520 /nfs/dbraw/zinc/30/25/20/453302520.db2.gz FHYZXBFZGLXTJB-ZWKOTPCHSA-N 2 2 343.471 1.870 20 0 EDADLP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000653115494 453303812 /nfs/dbraw/zinc/30/38/12/453303812.db2.gz QQKCJZFQINQDMZ-MSOLQXFVSA-N 2 2 329.444 1.567 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000653120655 453309949 /nfs/dbraw/zinc/30/99/49/453309949.db2.gz WQEPBLWZJNTRIP-MRXNPFEDSA-N 3 2 330.476 1.086 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000653120655 453309955 /nfs/dbraw/zinc/30/99/55/453309955.db2.gz WQEPBLWZJNTRIP-MRXNPFEDSA-N 3 2 330.476 1.086 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)[nH+]1 ZINC000664678172 453312158 /nfs/dbraw/zinc/31/21/58/453312158.db2.gz RQESOFGXFJQFIT-INIZCTEOSA-N 2 2 344.459 1.875 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)[nH+]1 ZINC000664678172 453312167 /nfs/dbraw/zinc/31/21/67/453312167.db2.gz RQESOFGXFJQFIT-INIZCTEOSA-N 2 2 344.459 1.875 20 0 EDADLP C[C@@H](C(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662610573 453330508 /nfs/dbraw/zinc/33/05/08/453330508.db2.gz PKBFLSKOGLGPHT-AWEZNQCLSA-N 2 2 336.455 1.532 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646341170 453331137 /nfs/dbraw/zinc/33/11/37/453331137.db2.gz LDKFTSFEGSPBPG-YJBOKZPZSA-N 2 2 329.444 1.343 20 0 EDADLP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000660471947 453332389 /nfs/dbraw/zinc/33/23/89/453332389.db2.gz ADLSNOYXRIAENJ-OAHLLOKOSA-N 2 2 336.484 1.157 20 0 EDADLP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000660471947 453332399 /nfs/dbraw/zinc/33/23/99/453332399.db2.gz ADLSNOYXRIAENJ-OAHLLOKOSA-N 2 2 336.484 1.157 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000651193461 453342671 /nfs/dbraw/zinc/34/26/71/453342671.db2.gz XKJFIYDKZORMFZ-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000651193461 453342679 /nfs/dbraw/zinc/34/26/79/453342679.db2.gz XKJFIYDKZORMFZ-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000653155351 453344397 /nfs/dbraw/zinc/34/43/97/453344397.db2.gz QEXYKMNESYQUQN-JSGCOSHPSA-N 2 2 325.840 1.599 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(COC2CCOCC2)cc1 ZINC000653155531 453346473 /nfs/dbraw/zinc/34/64/73/453346473.db2.gz XUSXOBDCERKGRW-SFHVURJKSA-N 2 2 349.475 1.277 20 0 EDADLP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000653158198 453350647 /nfs/dbraw/zinc/35/06/47/453350647.db2.gz XIJJXWBTUQAQSC-QRQLOZEOSA-N 3 2 346.519 1.682 20 0 EDADLP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000653158198 453350656 /nfs/dbraw/zinc/35/06/56/453350656.db2.gz XIJJXWBTUQAQSC-QRQLOZEOSA-N 3 2 346.519 1.682 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC(Cc4ccccc4)C3)cn2)CC1 ZINC000656651931 453351860 /nfs/dbraw/zinc/35/18/60/453351860.db2.gz YMVHPELHVUQTAC-UHFFFAOYSA-N 2 2 337.471 1.903 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000653162374 453354636 /nfs/dbraw/zinc/35/46/36/453354636.db2.gz DLAJEWVDFUQHLY-UHFFFAOYSA-N 2 2 345.491 1.095 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(F)ccc2N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000667039242 453355777 /nfs/dbraw/zinc/35/57/77/453355777.db2.gz OMFNVPMLDGVCOV-HNNXBMFYSA-N 2 2 349.454 1.923 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(F)ccc2N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000667039242 453355784 /nfs/dbraw/zinc/35/57/84/453355784.db2.gz OMFNVPMLDGVCOV-HNNXBMFYSA-N 2 2 349.454 1.923 20 0 EDADLP COc1cc(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000660539657 453384633 /nfs/dbraw/zinc/38/46/33/453384633.db2.gz VKKVEOAUIRBZII-UHFFFAOYSA-N 2 2 344.459 1.933 20 0 EDADLP COc1cc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000660539657 453384640 /nfs/dbraw/zinc/38/46/40/453384640.db2.gz VKKVEOAUIRBZII-UHFFFAOYSA-N 2 2 344.459 1.933 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)CC3([NH3+])CC3)CCCC2)no1 ZINC000662702188 453423838 /nfs/dbraw/zinc/42/38/38/453423838.db2.gz HDILOJUEZHJONU-UHFFFAOYSA-N 2 2 335.452 1.678 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662711114 453434423 /nfs/dbraw/zinc/43/44/23/453434423.db2.gz LAYOHSYJEFWNDR-CQSZACIVSA-N 2 2 330.354 1.932 20 0 EDADLP COc1ccc(C[C@H]2CCCCN2C(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653251309 453435663 /nfs/dbraw/zinc/43/56/63/453435663.db2.gz VMDHKFKZQQCLAO-SJLPKXTDSA-N 2 2 333.476 1.898 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662715114 453439619 /nfs/dbraw/zinc/43/96/19/453439619.db2.gz FPMHYQAKBYJRKO-KRWDZBQOSA-N 2 2 331.460 1.728 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)on1 ZINC000662717285 453441074 /nfs/dbraw/zinc/44/10/74/453441074.db2.gz YLQNPJBOTXRXMR-CYBMUJFWSA-N 2 2 336.436 1.195 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCc2c[nH+]c3n2CCCC3)[C@@H](C)CO1 ZINC000664852744 453447216 /nfs/dbraw/zinc/44/72/16/453447216.db2.gz BGHWSYNWULVRDW-KBPBESRZSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2c[nH+]c3n2CCCC3)[C@@H](C)CO1 ZINC000664852744 453447227 /nfs/dbraw/zinc/44/72/27/453447227.db2.gz BGHWSYNWULVRDW-KBPBESRZSA-N 2 2 335.452 1.128 20 0 EDADLP COCC[NH2+]CC(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000646566269 453475828 /nfs/dbraw/zinc/47/58/28/453475828.db2.gz DJJUBVAVZXJRKT-UHFFFAOYSA-N 2 2 330.432 1.580 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCOC1(C)C ZINC000667224220 453493050 /nfs/dbraw/zinc/49/30/50/453493050.db2.gz DWMJMDVGMYSRJA-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCOC1(C)C ZINC000667224220 453493055 /nfs/dbraw/zinc/49/30/55/453493055.db2.gz DWMJMDVGMYSRJA-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662756628 453493625 /nfs/dbraw/zinc/49/36/25/453493625.db2.gz JGBACTGICDDKCL-INIZCTEOSA-N 2 2 340.418 1.108 20 0 EDADLP C[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662756628 453493630 /nfs/dbraw/zinc/49/36/30/453493630.db2.gz JGBACTGICDDKCL-INIZCTEOSA-N 2 2 340.418 1.108 20 0 EDADLP CCc1noc(C)c1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664959217 453517150 /nfs/dbraw/zinc/51/71/50/453517150.db2.gz JNSPOPGAFHNXKG-UHFFFAOYSA-N 2 2 325.457 1.228 20 0 EDADLP CCc1noc(C)c1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664959217 453517154 /nfs/dbraw/zinc/51/71/54/453517154.db2.gz JNSPOPGAFHNXKG-UHFFFAOYSA-N 2 2 325.457 1.228 20 0 EDADLP [NH3+][C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)cc1F ZINC000662794329 453528582 /nfs/dbraw/zinc/52/85/82/453528582.db2.gz DLVNOTMMSYHSFH-MLGOLLRUSA-N 2 2 332.354 1.755 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442456 453529746 /nfs/dbraw/zinc/52/97/46/453529746.db2.gz PZBANWAGMSHGGT-WSTZPKSXSA-N 2 2 343.471 1.393 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442456 453529748 /nfs/dbraw/zinc/52/97/48/453529748.db2.gz PZBANWAGMSHGGT-WSTZPKSXSA-N 2 2 343.471 1.393 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442987 453530703 /nfs/dbraw/zinc/53/07/03/453530703.db2.gz ISXAIHDFWRIXEN-PKOBYXMFSA-N 2 2 329.444 1.847 20 0 EDADLP C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1[nH+]ccn1C ZINC000658920628 453537018 /nfs/dbraw/zinc/53/70/18/453537018.db2.gz UNGXMCSRNNYFFK-ZDUSSCGKSA-N 2 2 343.431 1.340 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)NCc1ccc[nH+]c1N1CCCC1 ZINC000660823759 453588702 /nfs/dbraw/zinc/58/87/02/453588702.db2.gz ICSRVOCXUYTWSN-UHFFFAOYSA-N 2 2 349.504 1.530 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000665271055 453630889 /nfs/dbraw/zinc/63/08/89/453630889.db2.gz GFFURDLNAUBJEU-IRXDYDNUSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000665271055 453630892 /nfs/dbraw/zinc/63/08/92/453630892.db2.gz GFFURDLNAUBJEU-IRXDYDNUSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000665271055 453630895 /nfs/dbraw/zinc/63/08/95/453630895.db2.gz GFFURDLNAUBJEU-IRXDYDNUSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000665271055 453630897 /nfs/dbraw/zinc/63/08/97/453630897.db2.gz GFFURDLNAUBJEU-IRXDYDNUSA-N 3 2 339.528 1.186 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000665289368 453636707 /nfs/dbraw/zinc/63/67/07/453636707.db2.gz MMWYSVZDHBGGIL-UHFFFAOYSA-N 3 2 327.432 1.395 20 0 EDADLP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1[nH+]ccn1C ZINC000659109193 453640545 /nfs/dbraw/zinc/64/05/45/453640545.db2.gz YJOTUZCFRXDGLP-JTQLQIEISA-N 2 2 345.378 1.021 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(F)cc1F ZINC000657092237 453676429 /nfs/dbraw/zinc/67/64/29/453676429.db2.gz JMMZRHYXYXMIOM-UHFFFAOYSA-N 2 2 335.420 1.127 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(F)cc1F ZINC000657092237 453676431 /nfs/dbraw/zinc/67/64/31/453676431.db2.gz JMMZRHYXYXMIOM-UHFFFAOYSA-N 2 2 335.420 1.127 20 0 EDADLP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661046130 453693774 /nfs/dbraw/zinc/69/37/74/453693774.db2.gz QMSXDOXYBBKQQA-INIZCTEOSA-N 2 2 331.464 1.619 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000659288582 453704284 /nfs/dbraw/zinc/70/42/84/453704284.db2.gz KEFWHBZMNHUPKN-GJZGRUSLSA-N 2 2 334.395 1.517 20 0 EDADLP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)cc21 ZINC000659358764 453727696 /nfs/dbraw/zinc/72/76/96/453727696.db2.gz UASPKAJPEGLEMF-QZTJIDSGSA-N 2 2 343.471 1.612 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000665535399 453735385 /nfs/dbraw/zinc/73/53/85/453735385.db2.gz RZVOCRBEELYJIJ-BRWVUGGUSA-N 2 2 326.444 1.813 20 0 EDADLP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657303928 453761709 /nfs/dbraw/zinc/76/17/09/453761709.db2.gz SCRBZQWARWBIPO-UHFFFAOYSA-N 2 2 345.447 1.564 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NCc1cccs1 ZINC000663304163 453763286 /nfs/dbraw/zinc/76/32/86/453763286.db2.gz MSGUBRQANRWMQN-ZFWWWQNUSA-N 2 2 337.489 1.596 20 0 EDADLP C[NH+]1CCN(c2ccc(NCc3nnn(C(C)(C)C)n3)[nH+]c2)CC1 ZINC000657322318 453766075 /nfs/dbraw/zinc/76/60/75/453766075.db2.gz KJZMLQAKKRSAMV-UHFFFAOYSA-N 2 2 330.440 1.187 20 0 EDADLP Cc1ncc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)n1C ZINC000657346101 453771222 /nfs/dbraw/zinc/77/12/22/453771222.db2.gz XPQGDKMRDIURNT-LJQANCHMSA-N 2 2 327.476 1.807 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)n1C ZINC000657346101 453771224 /nfs/dbraw/zinc/77/12/24/453771224.db2.gz XPQGDKMRDIURNT-LJQANCHMSA-N 3 2 327.476 1.807 20 0 EDADLP NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657369264 453776315 /nfs/dbraw/zinc/77/63/15/453776315.db2.gz BWKPBPKAPSPIRN-CYBMUJFWSA-N 2 2 325.416 1.297 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657371793 453777530 /nfs/dbraw/zinc/77/75/30/453777530.db2.gz NAFVWZBSKCEKJN-RBUKOAKNSA-N 2 2 340.471 1.802 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657371793 453777532 /nfs/dbraw/zinc/77/75/32/453777532.db2.gz NAFVWZBSKCEKJN-RBUKOAKNSA-N 2 2 340.471 1.802 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c2[nH+]ccn21 ZINC000661280537 453781825 /nfs/dbraw/zinc/78/18/25/453781825.db2.gz KCLLWKHXEKXBHZ-YUELXQCFSA-N 2 2 333.436 1.441 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657430709 453785585 /nfs/dbraw/zinc/78/55/85/453785585.db2.gz AXQAPFJSOMFTPN-GOSISDBHSA-N 3 2 326.444 1.686 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657430709 453785589 /nfs/dbraw/zinc/78/55/89/453785589.db2.gz AXQAPFJSOMFTPN-GOSISDBHSA-N 3 2 326.444 1.686 20 0 EDADLP CO[C@]1(CO)CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000661397875 453809156 /nfs/dbraw/zinc/80/91/56/453809156.db2.gz WWKYQKPQGNMIES-VQIMIIECSA-N 2 2 347.459 1.487 20 0 EDADLP CO[C@]1(CO)CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000661397875 453809158 /nfs/dbraw/zinc/80/91/58/453809158.db2.gz WWKYQKPQGNMIES-VQIMIIECSA-N 2 2 347.459 1.487 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512954 453813387 /nfs/dbraw/zinc/81/33/87/453813387.db2.gz HXGBFEYGABJRSA-JKSUJKDBSA-N 3 2 334.512 1.372 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512954 453813389 /nfs/dbraw/zinc/81/33/89/453813389.db2.gz HXGBFEYGABJRSA-JKSUJKDBSA-N 3 2 334.512 1.372 20 0 EDADLP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676234238 486700167 /nfs/dbraw/zinc/70/01/67/486700167.db2.gz WJORSTRDWQSRHU-MJBXVCDLSA-N 2 2 340.493 1.369 20 0 EDADLP C[C@H](NC(=O)NC[C@H](c1cccs1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676234238 486700170 /nfs/dbraw/zinc/70/01/70/486700170.db2.gz WJORSTRDWQSRHU-MJBXVCDLSA-N 2 2 340.493 1.369 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCO1 ZINC000683379005 486700854 /nfs/dbraw/zinc/70/08/54/486700854.db2.gz SIHGFRMHFJWJSC-SJORKVTESA-N 2 2 349.479 1.731 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCCO1 ZINC000683379005 486700856 /nfs/dbraw/zinc/70/08/56/486700856.db2.gz SIHGFRMHFJWJSC-SJORKVTESA-N 2 2 349.479 1.731 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)CCC2 ZINC000567222626 486716643 /nfs/dbraw/zinc/71/66/43/486716643.db2.gz PHOSINNMMGDLRA-VXGBXAGGSA-N 2 2 327.379 1.365 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)[nH+]c1 ZINC000676259608 486714306 /nfs/dbraw/zinc/71/43/06/486714306.db2.gz NSEJKJICIYSLSO-RDJZCZTQSA-N 2 2 346.475 1.442 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)[nH+]c1 ZINC000676259608 486714310 /nfs/dbraw/zinc/71/43/10/486714310.db2.gz NSEJKJICIYSLSO-RDJZCZTQSA-N 2 2 346.475 1.442 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676305056 486728755 /nfs/dbraw/zinc/72/87/55/486728755.db2.gz IPSOJFNKYXJCQW-KLHDSHLOSA-N 2 2 335.452 1.195 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676305056 486728761 /nfs/dbraw/zinc/72/87/61/486728761.db2.gz IPSOJFNKYXJCQW-KLHDSHLOSA-N 2 2 335.452 1.195 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000414957580 486734547 /nfs/dbraw/zinc/73/45/47/486734547.db2.gz QDNJUYVZKNYIIY-CVEARBPZSA-N 2 2 332.448 1.910 20 0 EDADLP CCN1C(=O)[C@H]2C[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCN2C1=O ZINC000680328761 486751958 /nfs/dbraw/zinc/75/19/58/486751958.db2.gz METFYVBTJPRWDX-CQSZACIVSA-N 2 2 345.428 1.402 20 0 EDADLP CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)CCN2C1=O ZINC000680328761 486751962 /nfs/dbraw/zinc/75/19/62/486751962.db2.gz METFYVBTJPRWDX-CQSZACIVSA-N 2 2 345.428 1.402 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000672695619 486765647 /nfs/dbraw/zinc/76/56/47/486765647.db2.gz NHHOIQJHVLZXDC-HUUCEWRRSA-N 2 2 347.463 1.454 20 0 EDADLP Cn1ncc(C2CCC2)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000667483968 486802756 /nfs/dbraw/zinc/80/27/56/486802756.db2.gz XJIWGIBYIDDWGJ-UHFFFAOYSA-N 2 2 331.508 1.901 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000673146734 486926034 /nfs/dbraw/zinc/92/60/34/486926034.db2.gz YVMMEOHBEDNJSQ-GDBMZVCRSA-N 2 2 331.464 1.999 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000681219534 486978386 /nfs/dbraw/zinc/97/83/86/486978386.db2.gz YIIQFFKEYKQGGH-MRXNPFEDSA-N 2 2 345.491 1.639 20 0 EDADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c[nH+]1 ZINC000684384085 487045133 /nfs/dbraw/zinc/04/51/33/487045133.db2.gz ULXIOASTXXVALG-MAUKXSAKSA-N 2 2 330.432 1.633 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC000677472635 487093305 /nfs/dbraw/zinc/09/33/05/487093305.db2.gz GKLQMRNEYJSYON-MRXNPFEDSA-N 2 2 325.416 1.979 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC000677472635 487093310 /nfs/dbraw/zinc/09/33/10/487093310.db2.gz GKLQMRNEYJSYON-MRXNPFEDSA-N 2 2 325.416 1.979 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000673777342 487111879 /nfs/dbraw/zinc/11/18/79/487111879.db2.gz QFEQZDKZRITRHD-GJZGRUSLSA-N 2 2 329.448 1.967 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000673777342 487111885 /nfs/dbraw/zinc/11/18/85/487111885.db2.gz QFEQZDKZRITRHD-GJZGRUSLSA-N 2 2 329.448 1.967 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cc2[nH+]1 ZINC000668156840 487123706 /nfs/dbraw/zinc/12/37/06/487123706.db2.gz AMLRVBUJMATSOO-INIZCTEOSA-N 2 2 343.431 1.971 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)[NH+]1CCC(C)CC1 ZINC000684830610 487171871 /nfs/dbraw/zinc/17/18/71/487171871.db2.gz JDRMKGSXOROEIQ-WMZOPIPTSA-N 2 2 349.523 1.896 20 0 EDADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000678427158 487306958 /nfs/dbraw/zinc/30/69/58/487306958.db2.gz KNFPDUNWXNUQFS-MSOLQXFVSA-N 2 2 332.492 1.756 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000682473472 487371790 /nfs/dbraw/zinc/37/17/90/487371790.db2.gz DBPBQLSPMPXIBI-OAHLLOKOSA-N 2 2 344.484 1.894 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000682515779 487380006 /nfs/dbraw/zinc/38/00/06/487380006.db2.gz WLZFZSNLYWADOQ-UXLLHSPISA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000682515779 487380009 /nfs/dbraw/zinc/38/00/09/487380009.db2.gz WLZFZSNLYWADOQ-UXLLHSPISA-N 2 2 328.460 1.921 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000675151189 487383340 /nfs/dbraw/zinc/38/33/40/487383340.db2.gz JDOFIMWSFIBDOS-JKSUJKDBSA-N 2 2 333.480 1.972 20 0 EDADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000679092348 487391291 /nfs/dbraw/zinc/39/12/91/487391291.db2.gz RGYWBHGLHAELJZ-RHSMWYFYSA-N 2 2 343.537 1.509 20 0 EDADLP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000679092348 487391293 /nfs/dbraw/zinc/39/12/93/487391293.db2.gz RGYWBHGLHAELJZ-RHSMWYFYSA-N 2 2 343.537 1.509 20 0 EDADLP CCO[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000675462401 487409814 /nfs/dbraw/zinc/40/98/14/487409814.db2.gz QWJMTGDRIKFXFP-DOTOQJQBSA-N 2 2 325.497 1.722 20 0 EDADLP CCO[C@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000675462401 487409817 /nfs/dbraw/zinc/40/98/17/487409817.db2.gz QWJMTGDRIKFXFP-DOTOQJQBSA-N 2 2 325.497 1.722 20 0 EDADLP C[N@H+](CCSc1ccc(F)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000679381707 487420115 /nfs/dbraw/zinc/42/01/15/487420115.db2.gz ZCJVQGHFTLMWCD-UHFFFAOYSA-N 2 2 325.453 1.624 20 0 EDADLP C[N@@H+](CCSc1ccc(F)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000679381707 487420119 /nfs/dbraw/zinc/42/01/19/487420119.db2.gz ZCJVQGHFTLMWCD-UHFFFAOYSA-N 2 2 325.453 1.624 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000682915078 487430553 /nfs/dbraw/zinc/43/05/53/487430553.db2.gz LEKUQVXYTWHYIE-RDJZCZTQSA-N 2 2 341.459 1.951 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1Cc1ccccc1 ZINC000682915078 487430556 /nfs/dbraw/zinc/43/05/56/487430556.db2.gz LEKUQVXYTWHYIE-RDJZCZTQSA-N 2 2 341.459 1.951 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(F)cn3)C2)CC1 ZINC000675712684 487437310 /nfs/dbraw/zinc/43/73/10/487437310.db2.gz TZBHDKKMXZYBSR-HNNXBMFYSA-N 2 2 335.427 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(F)cn3)C2)CC1 ZINC000675712684 487437312 /nfs/dbraw/zinc/43/73/12/487437312.db2.gz TZBHDKKMXZYBSR-HNNXBMFYSA-N 2 2 335.427 1.188 20 0 EDADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000679575690 487440223 /nfs/dbraw/zinc/44/02/23/487440223.db2.gz SIPHKRHEBOVABL-SJLPKXTDSA-N 2 2 332.492 1.701 20 0 EDADLP CC[C@@]1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCOC1 ZINC000683044171 487445302 /nfs/dbraw/zinc/44/53/02/487445302.db2.gz YZBODJTZFKSBGH-LJQANCHMSA-N 2 2 347.459 1.616 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000679815227 487465728 /nfs/dbraw/zinc/46/57/28/487465728.db2.gz ABRQXTXFTOWWMJ-GOSISDBHSA-N 2 2 342.443 1.546 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000679815227 487465730 /nfs/dbraw/zinc/46/57/30/487465730.db2.gz ABRQXTXFTOWWMJ-GOSISDBHSA-N 2 2 342.443 1.546 20 0 EDADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)C1 ZINC000669512106 485476727 /nfs/dbraw/zinc/47/67/27/485476727.db2.gz WNZOPEWNSUPQLT-HNNXBMFYSA-N 2 2 329.448 1.826 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)CCC2 ZINC000669541082 485526141 /nfs/dbraw/zinc/52/61/41/485526141.db2.gz MRJDNSVRTPZLAJ-VGWMRTNUSA-N 2 2 331.464 1.838 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000669021345 485568334 /nfs/dbraw/zinc/56/83/34/485568334.db2.gz SLQFRKBYPMKCFE-GOSISDBHSA-N 2 2 349.454 1.915 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NCc1ccc(F)cc1 ZINC000670985256 485608492 /nfs/dbraw/zinc/60/84/92/485608492.db2.gz AKWXMYCMFCKIPH-SFHVURJKSA-N 2 2 349.450 1.629 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NCc1ccc(F)cc1 ZINC000670985256 485608499 /nfs/dbraw/zinc/60/84/99/485608499.db2.gz AKWXMYCMFCKIPH-SFHVURJKSA-N 2 2 349.450 1.629 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000670997706 485621865 /nfs/dbraw/zinc/62/18/65/485621865.db2.gz AJSCZLAGHXTSSU-CVEARBPZSA-N 2 2 347.463 1.037 20 0 EDADLP [NH3+]C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000669165041 485761479 /nfs/dbraw/zinc/76/14/79/485761479.db2.gz FFZVUQCXHPVEMH-OAHLLOKOSA-N 2 2 331.464 1.952 20 0 EDADLP C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)CC1C[NH+](C)C1 ZINC000668540204 485865494 /nfs/dbraw/zinc/86/54/94/485865494.db2.gz ZTNFOWGMONMYHP-UHFFFAOYSA-N 2 2 328.416 1.841 20 0 EDADLP C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)CC1C[NH+](C)C1 ZINC000668540204 485865503 /nfs/dbraw/zinc/86/55/03/485865503.db2.gz ZTNFOWGMONMYHP-UHFFFAOYSA-N 2 2 328.416 1.841 20 0 EDADLP CCOCCOCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638704 485980563 /nfs/dbraw/zinc/98/05/63/485980563.db2.gz AUZIOYLJLJCNEO-INIZCTEOSA-N 2 2 341.496 1.104 20 0 EDADLP CCOCCOCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638704 485980566 /nfs/dbraw/zinc/98/05/66/485980566.db2.gz AUZIOYLJLJCNEO-INIZCTEOSA-N 2 2 341.496 1.104 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C[NH3+])o3)c[nH+]2)C[C@H](C)O1 ZINC000237663470 485996175 /nfs/dbraw/zinc/99/61/75/485996175.db2.gz WVTSBEUNRMJDHN-STQMWFEESA-N 2 2 344.415 1.677 20 0 EDADLP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000238017230 486025145 /nfs/dbraw/zinc/02/51/45/486025145.db2.gz LSQCMNURPPLLLC-YJBOKZPZSA-N 2 2 329.444 1.054 20 0 EDADLP CN(C)C(=O)c1ccccc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668738168 486106914 /nfs/dbraw/zinc/10/69/14/486106914.db2.gz BFXZTZBPQBXCFJ-QGZVFWFLSA-N 2 2 331.460 1.419 20 0 EDADLP CN(C)C(=O)c1ccccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668738168 486106918 /nfs/dbraw/zinc/10/69/18/486106918.db2.gz BFXZTZBPQBXCFJ-QGZVFWFLSA-N 2 2 331.460 1.419 20 0 EDADLP O=C(NC1CC1)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739706 486111989 /nfs/dbraw/zinc/11/19/89/486111989.db2.gz BIRDHMFBGPRVJS-LJQANCHMSA-N 2 2 343.471 1.610 20 0 EDADLP O=C(NC1CC1)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739706 486111994 /nfs/dbraw/zinc/11/19/94/486111994.db2.gz BIRDHMFBGPRVJS-LJQANCHMSA-N 2 2 343.471 1.610 20 0 EDADLP COCCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668741236 486114259 /nfs/dbraw/zinc/11/42/59/486114259.db2.gz PVZHZAPEANOARL-GOSISDBHSA-N 2 2 334.460 1.743 20 0 EDADLP COCCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668741236 486114265 /nfs/dbraw/zinc/11/42/65/486114265.db2.gz PVZHZAPEANOARL-GOSISDBHSA-N 2 2 334.460 1.743 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000251917207 486170798 /nfs/dbraw/zinc/17/07/98/486170798.db2.gz YFTNSZDYKOFQQV-CMPLNLGQSA-N 2 2 341.253 1.842 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000251917207 486170804 /nfs/dbraw/zinc/17/08/04/486170804.db2.gz YFTNSZDYKOFQQV-CMPLNLGQSA-N 2 2 341.253 1.842 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@@H](C)[NH+]1CCOCC1 ZINC000669463924 486216282 /nfs/dbraw/zinc/21/62/82/486216282.db2.gz GEGIULDBCNLJQU-ZIAGYGMSSA-N 2 2 332.448 1.198 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000669474544 486227655 /nfs/dbraw/zinc/22/76/55/486227655.db2.gz OPPAXXDXLTXYIN-RYUDHWBXSA-N 2 2 326.391 1.576 20 0 EDADLP C[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000669474544 486227661 /nfs/dbraw/zinc/22/76/61/486227661.db2.gz OPPAXXDXLTXYIN-RYUDHWBXSA-N 2 2 326.391 1.576 20 0 EDADLP Cc1cc(N)cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000669484147 486250010 /nfs/dbraw/zinc/25/00/10/486250010.db2.gz FEVUMFCSYXDHKY-QGZVFWFLSA-N 2 2 345.491 1.545 20 0 EDADLP Cc1cc(N)cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000669484147 486250017 /nfs/dbraw/zinc/25/00/17/486250017.db2.gz FEVUMFCSYXDHKY-QGZVFWFLSA-N 2 2 345.491 1.545 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000669484418 486250046 /nfs/dbraw/zinc/25/00/46/486250046.db2.gz WDJWFCDDUPMYEP-SJLPKXTDSA-N 3 2 345.491 1.154 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000669484418 486250051 /nfs/dbraw/zinc/25/00/51/486250051.db2.gz WDJWFCDDUPMYEP-SJLPKXTDSA-N 3 2 345.491 1.154 20 0 EDADLP CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669487307 486256375 /nfs/dbraw/zinc/25/63/75/486256375.db2.gz HGZCBHAAQHRUFI-CVEARBPZSA-N 2 2 338.883 1.945 20 0 EDADLP CC[C@H](Cc1ccc(Cl)cc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669487307 486256381 /nfs/dbraw/zinc/25/63/81/486256381.db2.gz HGZCBHAAQHRUFI-CVEARBPZSA-N 2 2 338.883 1.945 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000669509210 486292899 /nfs/dbraw/zinc/29/28/99/486292899.db2.gz IGUTZCGSJVLYSB-WMLDXEAASA-N 2 2 342.447 1.218 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000669509210 486292902 /nfs/dbraw/zinc/29/29/02/486292902.db2.gz IGUTZCGSJVLYSB-WMLDXEAASA-N 2 2 342.447 1.218 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000670079298 486604967 /nfs/dbraw/zinc/60/49/67/486604967.db2.gz IEUMUBSAUUZIEL-NVXWUHKLSA-N 2 2 347.463 1.069 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131466489 491212666 /nfs/dbraw/zinc/21/26/66/491212666.db2.gz VWKWAJRQTZGVLP-LJQANCHMSA-N 3 2 335.492 1.563 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(F)(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450366549 491013897 /nfs/dbraw/zinc/01/38/97/491013897.db2.gz VJHKOKJBESKZQS-MRVWCRGKSA-N 2 2 333.398 1.812 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(F)(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450366549 491013898 /nfs/dbraw/zinc/01/38/98/491013898.db2.gz VJHKOKJBESKZQS-MRVWCRGKSA-N 2 2 333.398 1.812 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158877175 534085340 /nfs/dbraw/zinc/08/53/40/534085340.db2.gz XSHVGEGODFJRCF-IRXDYDNUSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158877175 534085351 /nfs/dbraw/zinc/08/53/51/534085351.db2.gz XSHVGEGODFJRCF-IRXDYDNUSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158877175 534085358 /nfs/dbraw/zinc/08/53/58/534085358.db2.gz XSHVGEGODFJRCF-IRXDYDNUSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158877175 534085366 /nfs/dbraw/zinc/08/53/66/534085366.db2.gz XSHVGEGODFJRCF-IRXDYDNUSA-N 2 2 331.460 1.728 20 0 EDADLP COC(=O)c1ccccc1CC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000187550564 534288747 /nfs/dbraw/zinc/28/87/47/534288747.db2.gz RGOHVKWOZVFQQA-UHFFFAOYSA-N 2 2 340.427 1.936 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCc2ccncc2)C1 ZINC000181445647 528012796 /nfs/dbraw/zinc/01/27/96/528012796.db2.gz RCHSHFJNEKIGLP-SFHVURJKSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCc2ccncc2)C1 ZINC000181445647 528012800 /nfs/dbraw/zinc/01/28/00/528012800.db2.gz RCHSHFJNEKIGLP-SFHVURJKSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CCc2ccncc2)C1 ZINC000181445647 528012803 /nfs/dbraw/zinc/01/28/03/528012803.db2.gz RCHSHFJNEKIGLP-SFHVURJKSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCc2ccncc2)C1 ZINC000181445647 528012811 /nfs/dbraw/zinc/01/28/11/528012811.db2.gz RCHSHFJNEKIGLP-SFHVURJKSA-N 2 2 348.491 1.029 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000171685101 528085129 /nfs/dbraw/zinc/08/51/29/528085129.db2.gz NDQJFESWFZGWJI-GOSISDBHSA-N 2 2 333.476 1.076 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)[NH+]1CCOCC1 ZINC000177917942 528455920 /nfs/dbraw/zinc/45/59/20/528455920.db2.gz HKTUYWLIHQISQB-MRXNPFEDSA-N 2 2 345.447 1.490 20 0 EDADLP CC(C)[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH+]1CCOCC1 ZINC000271346942 535013173 /nfs/dbraw/zinc/01/31/73/535013173.db2.gz VHDZUHCXXAWHPU-KRWDZBQOSA-N 2 2 343.431 1.354 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000332932006 535111255 /nfs/dbraw/zinc/11/12/55/535111255.db2.gz GRAHNSSMIXTNIS-CVEARBPZSA-N 2 2 349.479 1.102 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000332932006 535111261 /nfs/dbraw/zinc/11/12/61/535111261.db2.gz GRAHNSSMIXTNIS-CVEARBPZSA-N 2 2 349.479 1.102 20 0 EDADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263133439 535254800 /nfs/dbraw/zinc/25/48/00/535254800.db2.gz BXPITYFRSHULQT-GXTWGEPZSA-N 2 2 343.265 1.908 20 0 EDADLP CC[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+](CC)CC ZINC000345772165 535435131 /nfs/dbraw/zinc/43/51/31/535435131.db2.gz VOXOMBAPBPVGGX-INIZCTEOSA-N 2 2 337.468 1.274 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000245886482 535535251 /nfs/dbraw/zinc/53/52/51/535535251.db2.gz DESVPPOCSMAKGJ-MJGOQNOKSA-N 2 2 345.487 1.785 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000245886482 535535255 /nfs/dbraw/zinc/53/52/55/535535255.db2.gz DESVPPOCSMAKGJ-MJGOQNOKSA-N 2 2 345.487 1.785 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000340046206 535565888 /nfs/dbraw/zinc/56/58/88/535565888.db2.gz SKGANQKDSOZXMJ-CYBMUJFWSA-N 2 2 333.523 1.612 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000131400141 535585015 /nfs/dbraw/zinc/58/50/15/535585015.db2.gz BFFIUOLHTOEQJI-KRWDZBQOSA-N 2 2 349.523 1.729 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000131400141 535585022 /nfs/dbraw/zinc/58/50/22/535585022.db2.gz BFFIUOLHTOEQJI-KRWDZBQOSA-N 2 2 349.523 1.729 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000246273358 535637690 /nfs/dbraw/zinc/63/76/90/535637690.db2.gz MSDWOIBUYRPANF-ULQDDVLXSA-N 2 2 333.480 1.319 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000246273358 535637696 /nfs/dbraw/zinc/63/76/96/535637696.db2.gz MSDWOIBUYRPANF-ULQDDVLXSA-N 2 2 333.480 1.319 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000246273358 535637700 /nfs/dbraw/zinc/63/77/00/535637700.db2.gz MSDWOIBUYRPANF-ULQDDVLXSA-N 3 2 333.480 1.319 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000246273358 535637703 /nfs/dbraw/zinc/63/77/03/535637703.db2.gz MSDWOIBUYRPANF-ULQDDVLXSA-N 3 2 333.480 1.319 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000072835210 535677816 /nfs/dbraw/zinc/67/78/16/535677816.db2.gz HTHBTUHKVMPUMT-KRWDZBQOSA-N 2 2 348.491 1.340 20 0 EDADLP CC[NH+]1CCN(CCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000263670555 535684819 /nfs/dbraw/zinc/68/48/19/535684819.db2.gz KYIVGYLYRALKGO-UHFFFAOYSA-N 2 2 345.422 1.978 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000345577876 535812945 /nfs/dbraw/zinc/81/29/45/535812945.db2.gz RTWGGDPKCSSPTL-MSOLQXFVSA-N 2 2 331.460 1.176 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000345577876 535812946 /nfs/dbraw/zinc/81/29/46/535812946.db2.gz RTWGGDPKCSSPTL-MSOLQXFVSA-N 2 2 331.460 1.176 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)n1C ZINC000331825851 536161063 /nfs/dbraw/zinc/16/10/63/536161063.db2.gz ARLJUMVTWCNBGB-UHFFFAOYSA-N 2 2 331.420 1.474 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000347804366 536176588 /nfs/dbraw/zinc/17/65/88/536176588.db2.gz FGDASURBLJZKFP-HXUWFJFHSA-N 2 2 346.519 1.871 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000347804366 536176589 /nfs/dbraw/zinc/17/65/89/536176589.db2.gz FGDASURBLJZKFP-HXUWFJFHSA-N 2 2 346.519 1.871 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)NCC[N@@H+]1CCOCC1(C)C ZINC000728228345 578545046 /nfs/dbraw/zinc/54/50/46/578545046.db2.gz BKCJBXDAZUZBQO-UHFFFAOYSA-N 2 2 330.542 1.149 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)NCC[N@H+]1CCOCC1(C)C ZINC000728228345 578545047 /nfs/dbraw/zinc/54/50/47/578545047.db2.gz BKCJBXDAZUZBQO-UHFFFAOYSA-N 2 2 330.542 1.149 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000728387870 578547283 /nfs/dbraw/zinc/54/72/83/578547283.db2.gz JDBYFRCUDHVZJQ-GOSISDBHSA-N 2 2 333.476 1.667 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000728387870 578547284 /nfs/dbraw/zinc/54/72/84/578547284.db2.gz JDBYFRCUDHVZJQ-GOSISDBHSA-N 2 2 333.476 1.667 20 0 EDADLP Cc1ccc(N(C)C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)nn1 ZINC000729929449 578602405 /nfs/dbraw/zinc/60/24/05/578602405.db2.gz WIEIKPBTASFLNE-KRWDZBQOSA-N 2 2 333.480 1.142 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCOc3cccc(F)c3)CCO2)CC1 ZINC000729928647 578603706 /nfs/dbraw/zinc/60/37/06/578603706.db2.gz OZXRWGGCNCPYNE-GOSISDBHSA-N 2 2 337.439 1.153 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCOc3cccc(F)c3)CCO2)CC1 ZINC000729928647 578603707 /nfs/dbraw/zinc/60/37/07/578603707.db2.gz OZXRWGGCNCPYNE-GOSISDBHSA-N 2 2 337.439 1.153 20 0 EDADLP Cc1nc(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000733153597 578744129 /nfs/dbraw/zinc/74/41/29/578744129.db2.gz DIUWMNJVCIUUSJ-CQSZACIVSA-N 2 2 336.505 1.669 20 0 EDADLP Cc1nc(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000733153597 578744131 /nfs/dbraw/zinc/74/41/31/578744131.db2.gz DIUWMNJVCIUUSJ-CQSZACIVSA-N 2 2 336.505 1.669 20 0 EDADLP CC[C@H](C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1)[NH+](CC)CC ZINC000746303707 579585911 /nfs/dbraw/zinc/58/59/11/579585911.db2.gz RUURZGCNITZNHX-UONOGXRCSA-N 2 2 326.510 1.742 20 0 EDADLP CN(C(=O)C(F)(F)C(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000749387470 579724433 /nfs/dbraw/zinc/72/44/33/579724433.db2.gz HJCDVLQDMZKMCB-NSHDSACASA-N 2 2 325.350 1.514 20 0 EDADLP CN(C(=O)C(F)(F)C(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000749387470 579724434 /nfs/dbraw/zinc/72/44/34/579724434.db2.gz HJCDVLQDMZKMCB-NSHDSACASA-N 2 2 325.350 1.514 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000759156828 579999876 /nfs/dbraw/zinc/99/98/76/579999876.db2.gz JHVZFVUVFXMICT-JKIFEVAISA-N 2 2 348.472 1.606 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C(=O)C[C@@]3(CCSC3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000759156828 579999877 /nfs/dbraw/zinc/99/98/77/579999877.db2.gz JHVZFVUVFXMICT-JKIFEVAISA-N 2 2 348.472 1.606 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@](C)(COC)CC1=O ZINC000762076319 580066374 /nfs/dbraw/zinc/06/63/74/580066374.db2.gz MXPIGCWYLSPMGW-GOSISDBHSA-N 2 2 336.480 2.000 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@](C)(COC)CC1=O ZINC000762076319 580066375 /nfs/dbraw/zinc/06/63/75/580066375.db2.gz MXPIGCWYLSPMGW-GOSISDBHSA-N 2 2 336.480 2.000 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2c3cnccc3n(C)c2=O)C1 ZINC000765055923 580134136 /nfs/dbraw/zinc/13/41/36/580134136.db2.gz RWRNWPVYSDZUOI-OAHLLOKOSA-N 2 2 347.463 1.125 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2c3cnccc3n(C)c2=O)C1 ZINC000765055923 580134137 /nfs/dbraw/zinc/13/41/37/580134137.db2.gz RWRNWPVYSDZUOI-OAHLLOKOSA-N 2 2 347.463 1.125 20 0 EDADLP CCc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000778272273 580460398 /nfs/dbraw/zinc/46/03/98/580460398.db2.gz GCDWWPPSPNDWTR-HNNXBMFYSA-N 2 2 332.448 1.248 20 0 EDADLP CCc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000778272273 580460399 /nfs/dbraw/zinc/46/03/99/580460399.db2.gz GCDWWPPSPNDWTR-HNNXBMFYSA-N 2 2 332.448 1.248 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000782283115 580570816 /nfs/dbraw/zinc/57/08/16/580570816.db2.gz QOCKUEHWBOQVHG-GDBMZVCRSA-N 2 2 328.453 1.044 20 0 EDADLP CCOC(=O)CC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CC1 ZINC000783977611 580609798 /nfs/dbraw/zinc/60/97/98/580609798.db2.gz SJRDRSKSKAUTDX-CYBMUJFWSA-N 2 2 334.420 1.111 20 0 EDADLP CCOC(=O)CC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CC1 ZINC000783977611 580609799 /nfs/dbraw/zinc/60/97/99/580609799.db2.gz SJRDRSKSKAUTDX-CYBMUJFWSA-N 2 2 334.420 1.111 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@]3(CCCOC3)C2)C1 ZINC000783988036 580610382 /nfs/dbraw/zinc/61/03/82/580610382.db2.gz FEUCCPXGBXOAFA-QAPCUYQASA-N 2 2 332.448 1.586 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@]3(CCCOC3)C2)C1 ZINC000783988036 580610383 /nfs/dbraw/zinc/61/03/83/580610383.db2.gz FEUCCPXGBXOAFA-QAPCUYQASA-N 2 2 332.448 1.586 20 0 EDADLP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000787676837 580701503 /nfs/dbraw/zinc/70/15/03/580701503.db2.gz RQPFYIAEACSZTF-OAHLLOKOSA-N 2 2 327.469 1.698 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000787967551 580711997 /nfs/dbraw/zinc/71/19/97/580711997.db2.gz BWBSMFRPWWCFAP-UHFFFAOYSA-N 2 2 349.479 1.585 20 0 EDADLP COC(=O)c1ncn(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000788382253 580720114 /nfs/dbraw/zinc/72/01/14/580720114.db2.gz MGIDAGZYTXLIJI-UHFFFAOYSA-N 2 2 344.419 1.435 20 0 EDADLP CN(C(=O)c1c[nH]nc1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000789761292 580752946 /nfs/dbraw/zinc/75/29/46/580752946.db2.gz FMHYVRJPBDMKFD-OAHLLOKOSA-N 2 2 331.464 1.528 20 0 EDADLP CN(C(=O)c1c[nH]nc1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000789761292 580752947 /nfs/dbraw/zinc/75/29/47/580752947.db2.gz FMHYVRJPBDMKFD-OAHLLOKOSA-N 2 2 331.464 1.528 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)C[NH+]1CCC2CC1 ZINC000790361978 580767538 /nfs/dbraw/zinc/76/75/38/580767538.db2.gz IAYMCKXSUAJXSZ-SJLPKXTDSA-N 3 2 345.447 1.394 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)C[NH+]1CCC2CC1 ZINC000790361978 580767539 /nfs/dbraw/zinc/76/75/39/580767539.db2.gz IAYMCKXSUAJXSZ-SJLPKXTDSA-N 3 2 345.447 1.394 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H](n3ccnc3)C1)C[NH+]1CCC2CC1 ZINC000790361978 580767540 /nfs/dbraw/zinc/76/75/40/580767540.db2.gz IAYMCKXSUAJXSZ-SJLPKXTDSA-N 2 2 345.447 1.394 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H](n3ccnc3)C1)C[NH+]1CCC2CC1 ZINC000790361978 580767541 /nfs/dbraw/zinc/76/75/41/580767541.db2.gz IAYMCKXSUAJXSZ-SJLPKXTDSA-N 2 2 345.447 1.394 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(F)(F)C3CCOCC3)C2)CC1 ZINC000790629792 580774215 /nfs/dbraw/zinc/77/42/15/580774215.db2.gz RKGWUGBINOVHJJ-CQSZACIVSA-N 2 2 345.434 1.333 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(F)(F)C3CCOCC3)C2)CC1 ZINC000790629792 580774216 /nfs/dbraw/zinc/77/42/16/580774216.db2.gz RKGWUGBINOVHJJ-CQSZACIVSA-N 2 2 345.434 1.333 20 0 EDADLP CC(C)N1CC[NH+](CCCOC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000792203276 580813333 /nfs/dbraw/zinc/81/33/33/580813333.db2.gz JANZKUXNISYMDW-CALCHBBNSA-N 2 2 325.497 1.819 20 0 EDADLP CC(C)N1CC[NH+](CCCOC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000792203276 580813334 /nfs/dbraw/zinc/81/33/34/580813334.db2.gz JANZKUXNISYMDW-CALCHBBNSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C)CC[C@@H](O)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000793615546 580849044 /nfs/dbraw/zinc/84/90/44/580849044.db2.gz NVCMAMRLMAMNET-NVXWUHKLSA-N 2 2 327.513 1.706 20 0 EDADLP CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796167637 580947120 /nfs/dbraw/zinc/94/71/20/580947120.db2.gz XMWRJOFSADIFOS-IRXDYDNUSA-N 2 2 341.496 1.824 20 0 EDADLP CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796167637 580947121 /nfs/dbraw/zinc/94/71/21/580947121.db2.gz XMWRJOFSADIFOS-IRXDYDNUSA-N 2 2 341.496 1.824 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)COc2cccc(F)c2)s1 ZINC000796280537 580949950 /nfs/dbraw/zinc/94/99/50/580949950.db2.gz NVSJTMVUDMBLDN-CYBMUJFWSA-N 2 2 339.436 1.873 20 0 EDADLP O=C1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C(=O)N1 ZINC000796441339 580953909 /nfs/dbraw/zinc/95/39/09/580953909.db2.gz BRDWNZTUWKRUHX-QFBILLFUSA-N 2 2 327.428 1.390 20 0 EDADLP O=C1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C(=O)N1 ZINC000796441339 580953910 /nfs/dbraw/zinc/95/39/10/580953910.db2.gz BRDWNZTUWKRUHX-QFBILLFUSA-N 2 2 327.428 1.390 20 0 EDADLP O=C1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C(=O)N1 ZINC000796441339 580953911 /nfs/dbraw/zinc/95/39/11/580953911.db2.gz BRDWNZTUWKRUHX-QFBILLFUSA-N 2 2 327.428 1.390 20 0 EDADLP O=C1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C(=O)N1 ZINC000796441339 580953912 /nfs/dbraw/zinc/95/39/12/580953912.db2.gz BRDWNZTUWKRUHX-QFBILLFUSA-N 2 2 327.428 1.390 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000796704190 580960074 /nfs/dbraw/zinc/96/00/74/580960074.db2.gz XYLSQBKCPDLMNW-XUWVNRHRSA-N 2 2 341.496 1.989 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000796704190 580960075 /nfs/dbraw/zinc/96/00/75/580960075.db2.gz XYLSQBKCPDLMNW-XUWVNRHRSA-N 2 2 341.496 1.989 20 0 EDADLP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)n(C)n1 ZINC000797082421 580967914 /nfs/dbraw/zinc/96/79/14/580967914.db2.gz FJHPKONLWMWOOK-HNSVSWJLSA-N 2 2 333.480 1.463 20 0 EDADLP Cc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)n(C)n1 ZINC000797082421 580967915 /nfs/dbraw/zinc/96/79/15/580967915.db2.gz FJHPKONLWMWOOK-HNSVSWJLSA-N 2 2 333.480 1.463 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000893113345 590668518 /nfs/dbraw/zinc/66/85/18/590668518.db2.gz WWMIINYTVCYADM-AWEZNQCLSA-N 2 2 345.447 1.410 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891940029 590697334 /nfs/dbraw/zinc/69/73/34/590697334.db2.gz PFEGMWJBOJOVHE-SNVBAGLBSA-N 2 2 334.449 1.647 20 0 EDADLP C/C(=C/C(=O)NCc1c(C)nc2ccccn21)C[NH+]1CCOCC1 ZINC000890848739 590810514 /nfs/dbraw/zinc/81/05/14/590810514.db2.gz BBQJXSZMFAYYQN-KAMYIIQDSA-N 2 2 328.416 1.537 20 0 EDADLP C/C(=C/C(=O)NCc1c(C)[nH+]c2ccccn21)C[NH+]1CCOCC1 ZINC000890848739 590810518 /nfs/dbraw/zinc/81/05/18/590810518.db2.gz BBQJXSZMFAYYQN-KAMYIIQDSA-N 2 2 328.416 1.537 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892138787 590818063 /nfs/dbraw/zinc/81/80/63/590818063.db2.gz FVBHEHOYLKQICG-CYBMUJFWSA-N 2 2 337.493 1.561 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](C)C(C)(C)C3)cc2[nH+]1 ZINC000891008801 590910988 /nfs/dbraw/zinc/91/09/88/590910988.db2.gz LCTFDYYNQVZXQY-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](C)C(C)(C)C3)cc2[nH+]1 ZINC000891008801 590910993 /nfs/dbraw/zinc/91/09/93/590910993.db2.gz LCTFDYYNQVZXQY-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)nc(C(C)C)[nH+]1 ZINC000892282138 590911710 /nfs/dbraw/zinc/91/17/10/590911710.db2.gz LBOSZKVASOAADX-CABCVRRESA-N 2 2 346.479 1.856 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000892329772 590953254 /nfs/dbraw/zinc/95/32/54/590953254.db2.gz CRNPMQTZDFCZPP-CQSZACIVSA-N 2 2 332.448 1.143 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000892439793 591028576 /nfs/dbraw/zinc/02/85/76/591028576.db2.gz ZTRBNTMKGCRZCR-MSOLQXFVSA-N 2 2 328.460 1.880 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000892439793 591028581 /nfs/dbraw/zinc/02/85/81/591028581.db2.gz ZTRBNTMKGCRZCR-MSOLQXFVSA-N 2 2 328.460 1.880 20 0 EDADLP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000892469512 591037998 /nfs/dbraw/zinc/03/79/98/591037998.db2.gz SEYGDGFDKCITCT-UHFFFAOYSA-N 2 2 329.448 1.275 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000892483806 591044196 /nfs/dbraw/zinc/04/41/96/591044196.db2.gz AXIORMDSCRTIKQ-MRXNPFEDSA-N 2 2 345.491 1.687 20 0 EDADLP CC(C)([NH3+])CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000891320484 591045771 /nfs/dbraw/zinc/04/57/71/591045771.db2.gz KYVZNDJBEPBUOT-ZDUSSCGKSA-N 2 2 340.493 1.548 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c[nH+]1 ZINC000891347756 591053223 /nfs/dbraw/zinc/05/32/23/591053223.db2.gz LRMWNPMRMFCAMI-LBPRGKRZSA-N 2 2 327.379 1.192 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892514020 591054749 /nfs/dbraw/zinc/05/47/49/591054749.db2.gz SBIHVYJKYYDLCA-OAHLLOKOSA-N 2 2 349.504 1.528 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000891518891 591104986 /nfs/dbraw/zinc/10/49/86/591104986.db2.gz VLUGQKRGOVFTBH-RLFYNMQTSA-N 2 2 346.475 1.109 20 0 EDADLP COc1ccc2[nH+]ccc(NCC(C)(C)[NH+]3CCS(=O)CC3)c2c1 ZINC000892640082 591107477 /nfs/dbraw/zinc/10/74/77/591107477.db2.gz FNJDSFLPPCAMBK-UHFFFAOYSA-N 2 2 347.484 1.920 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000891564037 591127392 /nfs/dbraw/zinc/12/73/92/591127392.db2.gz GFOOOJMIWORDNU-JTNHKYCSSA-N 2 2 326.391 1.604 20 0 EDADLP CC1(C)CC[N@H+](CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000892731299 591151319 /nfs/dbraw/zinc/15/13/19/591151319.db2.gz OQFIKGDGMAYXPD-UHFFFAOYSA-N 2 2 347.385 1.977 20 0 EDADLP CC1(C)CC[N@@H+](CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000892731299 591151321 /nfs/dbraw/zinc/15/13/21/591151321.db2.gz OQFIKGDGMAYXPD-UHFFFAOYSA-N 2 2 347.385 1.977 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(C(=O)OC)s2)C1 ZINC000894070475 591184713 /nfs/dbraw/zinc/18/47/13/591184713.db2.gz ATOBLCXQKSCVJG-CYBMUJFWSA-N 2 2 341.477 1.862 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(C(=O)OC)s2)C1 ZINC000894070475 591184716 /nfs/dbraw/zinc/18/47/16/591184716.db2.gz ATOBLCXQKSCVJG-CYBMUJFWSA-N 2 2 341.477 1.862 20 0 EDADLP CN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCC[N@H+](C)C1 ZINC000891696904 591187840 /nfs/dbraw/zinc/18/78/40/591187840.db2.gz ZWHRFLYSILYHFJ-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000891696904 591187843 /nfs/dbraw/zinc/18/78/43/591187843.db2.gz ZWHRFLYSILYHFJ-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000891707690 591194289 /nfs/dbraw/zinc/19/42/89/591194289.db2.gz FUFBQYHIGSRXAL-CHWSQXEVSA-N 2 2 339.390 1.204 20 0 EDADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3c[nH+]c[nH]3)CC2)cc1 ZINC000894166959 591214543 /nfs/dbraw/zinc/21/45/43/591214543.db2.gz MWFQXQONHQWCFT-UHFFFAOYSA-N 2 2 334.445 1.661 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(F)F ZINC000894190127 591220076 /nfs/dbraw/zinc/22/00/76/591220076.db2.gz JOUYHGKPCMUWCN-HUUCEWRRSA-N 2 2 339.386 1.690 20 0 EDADLP Cc1noc2ncc(C[NH2+]C3CC[NH+](CCC(=O)N(C)C)CC3)cc12 ZINC000894230050 591237759 /nfs/dbraw/zinc/23/77/59/591237759.db2.gz FYVLCBHKYNRJAU-UHFFFAOYSA-N 2 2 345.447 1.564 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc[nH+]c3N3CCCC3)[C@H]2C1 ZINC000895661080 591242534 /nfs/dbraw/zinc/24/25/34/591242534.db2.gz BPAWITJWEIWEOT-CVEARBPZSA-N 2 2 329.448 1.527 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc[nH+]c3N3CCCC3)[C@H]2C1 ZINC000895661080 591242538 /nfs/dbraw/zinc/24/25/38/591242538.db2.gz BPAWITJWEIWEOT-CVEARBPZSA-N 2 2 329.448 1.527 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000892984507 591246548 /nfs/dbraw/zinc/24/65/48/591246548.db2.gz WJDOYTXEJITDPH-HZPDHXFCSA-N 2 2 333.480 1.828 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH+]cn1 ZINC000892984507 591246550 /nfs/dbraw/zinc/24/65/50/591246550.db2.gz WJDOYTXEJITDPH-HZPDHXFCSA-N 2 2 333.480 1.828 20 0 EDADLP Cc1ccnc(N)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000894293768 591269070 /nfs/dbraw/zinc/26/90/70/591269070.db2.gz UGHAEXSNABNAIB-IBGZPJMESA-N 2 2 326.444 1.699 20 0 EDADLP Cc1ccnc(N)c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000894293768 591269072 /nfs/dbraw/zinc/26/90/72/591269072.db2.gz UGHAEXSNABNAIB-IBGZPJMESA-N 2 2 326.444 1.699 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)C2C[NH+](C3CCOCC3)C2)c1C ZINC000895980476 591317636 /nfs/dbraw/zinc/31/76/36/591317636.db2.gz JBSKBTMYOMFMIY-UHFFFAOYSA-N 2 2 347.459 1.776 20 0 EDADLP O[C@H]1c2ccccc2C[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000898391366 591336351 /nfs/dbraw/zinc/33/63/51/591336351.db2.gz BYOPSNGYYLORGD-PMACEKPBSA-N 2 2 345.487 1.031 20 0 EDADLP O[C@H]1c2ccccc2C[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000898391366 591336357 /nfs/dbraw/zinc/33/63/57/591336357.db2.gz BYOPSNGYYLORGD-PMACEKPBSA-N 2 2 345.487 1.031 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000896079758 591341345 /nfs/dbraw/zinc/34/13/45/591341345.db2.gz OUAVVJYDTMMSNU-DOTOQJQBSA-N 2 2 341.459 1.987 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000896079758 591341349 /nfs/dbraw/zinc/34/13/49/591341349.db2.gz OUAVVJYDTMMSNU-DOTOQJQBSA-N 2 2 341.459 1.987 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000898492168 591377035 /nfs/dbraw/zinc/37/70/35/591377035.db2.gz SFJJBMDVHOAQDA-ZWKOTPCHSA-N 2 2 348.466 1.844 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000898492168 591377038 /nfs/dbraw/zinc/37/70/38/591377038.db2.gz SFJJBMDVHOAQDA-ZWKOTPCHSA-N 2 2 348.466 1.844 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000898492168 591377043 /nfs/dbraw/zinc/37/70/43/591377043.db2.gz SFJJBMDVHOAQDA-ZWKOTPCHSA-N 2 2 348.466 1.844 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000898492168 591377047 /nfs/dbraw/zinc/37/70/47/591377047.db2.gz SFJJBMDVHOAQDA-ZWKOTPCHSA-N 2 2 348.466 1.844 20 0 EDADLP C[C@@H]1CCc2[nH]nc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000896324875 591419435 /nfs/dbraw/zinc/41/94/35/591419435.db2.gz KVTNBFVRAPBWGX-KGLIPLIRSA-N 2 2 345.491 1.433 20 0 EDADLP C[C@@H]1CCc2[nH]nc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000896324875 591419439 /nfs/dbraw/zinc/41/94/39/591419439.db2.gz KVTNBFVRAPBWGX-KGLIPLIRSA-N 2 2 345.491 1.433 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c[nH+]1 ZINC000896375943 591443611 /nfs/dbraw/zinc/44/36/11/591443611.db2.gz BZWPKRCWMJQVPY-INIZCTEOSA-N 2 2 334.464 1.686 20 0 EDADLP CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894983679 591511484 /nfs/dbraw/zinc/51/14/84/591511484.db2.gz FCADNSYCBFOOME-QWHCGFSZSA-N 2 2 344.358 1.573 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000897565193 591556714 /nfs/dbraw/zinc/55/67/14/591556714.db2.gz XCYFOFRCDKIZCO-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000897565193 591556718 /nfs/dbraw/zinc/55/67/18/591556718.db2.gz XCYFOFRCDKIZCO-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897565193 591556722 /nfs/dbraw/zinc/55/67/22/591556722.db2.gz XCYFOFRCDKIZCO-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897565193 591556727 /nfs/dbraw/zinc/55/67/27/591556727.db2.gz XCYFOFRCDKIZCO-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000896633898 591560215 /nfs/dbraw/zinc/56/02/15/591560215.db2.gz VMNKRPLHDQVMRD-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H](C)[C@H](C[NH+]1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1)OC ZINC000897573864 591563086 /nfs/dbraw/zinc/56/30/86/591563086.db2.gz QXHFELPZEPICTN-OCCSQVGLSA-N 2 2 334.468 1.514 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000897590067 591572338 /nfs/dbraw/zinc/57/23/38/591572338.db2.gz GBFQNHGNCIKELE-MRXNPFEDSA-N 2 2 345.443 1.481 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000898885668 591578449 /nfs/dbraw/zinc/57/84/49/591578449.db2.gz ZBZOJHFAWAYBAH-DZGCQCFKSA-N 2 2 336.823 1.526 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896987973 591705532 /nfs/dbraw/zinc/70/55/32/591705532.db2.gz HKCIOJHVEWOQDU-SJORKVTESA-N 3 2 336.524 1.486 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896987973 591705537 /nfs/dbraw/zinc/70/55/37/591705537.db2.gz HKCIOJHVEWOQDU-SJORKVTESA-N 3 2 336.524 1.486 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000896987973 591705540 /nfs/dbraw/zinc/70/55/40/591705540.db2.gz HKCIOJHVEWOQDU-SJORKVTESA-N 3 2 336.524 1.486 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000896987973 591705545 /nfs/dbraw/zinc/70/55/45/591705545.db2.gz HKCIOJHVEWOQDU-SJORKVTESA-N 3 2 336.524 1.486 20 0 EDADLP CCc1nnc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000895339329 591717776 /nfs/dbraw/zinc/71/77/76/591717776.db2.gz LOMZDNXVCFMGDE-OAHLLOKOSA-N 2 2 332.473 1.957 20 0 EDADLP CCc1nnc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000895339329 591717779 /nfs/dbraw/zinc/71/77/79/591717779.db2.gz LOMZDNXVCFMGDE-OAHLLOKOSA-N 2 2 332.473 1.957 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000897228615 591778673 /nfs/dbraw/zinc/77/86/73/591778673.db2.gz OGEMCEBSKYWCIF-HNNXBMFYSA-N 2 2 343.427 1.126 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000897228615 591778677 /nfs/dbraw/zinc/77/86/77/591778677.db2.gz OGEMCEBSKYWCIF-HNNXBMFYSA-N 2 2 343.427 1.126 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccnn2C)C[N@H+](Cc2ccccc2)C1 ZINC000897302684 591823890 /nfs/dbraw/zinc/82/38/90/591823890.db2.gz UNYRLROSPUNXTK-SZVBFZGTSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccnn2C)C[N@@H+](Cc2ccccc2)C1 ZINC000897302684 591823894 /nfs/dbraw/zinc/82/38/94/591823894.db2.gz UNYRLROSPUNXTK-SZVBFZGTSA-N 2 2 328.460 1.954 20 0 EDADLP CCn1cc[nH+]c1CN1CC[NH+](Cn2cc(OC)c(=O)cc2C)CC1 ZINC000902148768 591929394 /nfs/dbraw/zinc/92/93/94/591929394.db2.gz PTSHUKOHXNNFSA-UHFFFAOYSA-N 2 2 345.447 1.157 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000899811591 591947639 /nfs/dbraw/zinc/94/76/39/591947639.db2.gz WNGCDIGMIATHHA-HUUCEWRRSA-N 2 2 325.416 1.578 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CN1C[C@@]2(CCCOC2)C1=O ZINC000902377917 591984363 /nfs/dbraw/zinc/98/43/63/591984363.db2.gz UESCSNYMDHJQQT-CRAIPNDOSA-N 2 2 330.432 1.189 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CN1C[C@@]2(CCCOC2)C1=O ZINC000902377917 591984365 /nfs/dbraw/zinc/98/43/65/591984365.db2.gz UESCSNYMDHJQQT-CRAIPNDOSA-N 2 2 330.432 1.189 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1([NH3+])CC1 ZINC000902359564 591985981 /nfs/dbraw/zinc/98/59/81/591985981.db2.gz CIIAMCOWZAIUHO-CYBMUJFWSA-N 2 2 336.867 1.458 20 0 EDADLP [NH3+]C[C@@H]1CC2(CO1)CCN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC000900364405 591997336 /nfs/dbraw/zinc/99/73/36/591997336.db2.gz SXJPQGQXQJPNAF-HNNXBMFYSA-N 2 2 331.464 1.801 20 0 EDADLP [NH3+]C[C@@H]1CC2(CO1)CCN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC000900364405 591997339 /nfs/dbraw/zinc/99/73/39/591997339.db2.gz SXJPQGQXQJPNAF-HNNXBMFYSA-N 2 2 331.464 1.801 20 0 EDADLP Brc1ccc2onc(N3CC[NH2+]CC[NH2+]CC3)c2c1 ZINC000900369344 591998663 /nfs/dbraw/zinc/99/86/63/591998663.db2.gz SBYSQNZRCODMQJ-UHFFFAOYSA-N 2 2 325.210 1.590 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[NH2+]CC[NH2+]CC2)nc[nH+]1 ZINC000900369360 591998818 /nfs/dbraw/zinc/99/88/18/591998818.db2.gz SDXUHMWTYAOVBE-QAPCUYQASA-N 3 2 348.495 1.091 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[NH2+]CC[NH2+]CC2)ncn1 ZINC000900369360 591998820 /nfs/dbraw/zinc/99/88/20/591998820.db2.gz SDXUHMWTYAOVBE-QAPCUYQASA-N 2 2 348.495 1.091 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902467252 592000997 /nfs/dbraw/zinc/00/09/97/592000997.db2.gz ODEWLWNFNZJVKB-AYRXBEOTSA-N 2 2 333.432 1.903 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2=O)cn1 ZINC000903100903 592120305 /nfs/dbraw/zinc/12/03/05/592120305.db2.gz WNYPGIWLMXHYFJ-NZZOQPFGSA-N 2 2 343.475 1.663 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C2=O)cn1 ZINC000903100903 592120306 /nfs/dbraw/zinc/12/03/06/592120306.db2.gz WNYPGIWLMXHYFJ-NZZOQPFGSA-N 2 2 343.475 1.663 20 0 EDADLP CCc1[nH+]c2ccccc2n1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900788410 592124190 /nfs/dbraw/zinc/12/41/90/592124190.db2.gz XDQQTDLQIWZKRP-ACJLOTCBSA-N 2 2 330.432 1.170 20 0 EDADLP CCc1[nH+]c2ccccc2n1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900788410 592124193 /nfs/dbraw/zinc/12/41/93/592124193.db2.gz XDQQTDLQIWZKRP-ACJLOTCBSA-N 2 2 330.432 1.170 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCO[C@@]34CCOC4)[nH+]c2)CC1 ZINC000903139839 592126379 /nfs/dbraw/zinc/12/63/79/592126379.db2.gz VCHAZTZKVLDUGL-PKOBYXMFSA-N 2 2 346.475 1.972 20 0 EDADLP CN(C)C(=O)N1CCC([NH2+]Cc2nc(C[NH+](C)C)cs2)CC1 ZINC000903222536 592141447 /nfs/dbraw/zinc/14/14/47/592141447.db2.gz DHAMKMZCIPDNRX-UHFFFAOYSA-N 2 2 325.482 1.440 20 0 EDADLP Cc1cccc(NCCNC(=O)CC[NH+]2CCN(C(C)C)CC2)[nH+]1 ZINC000900865277 592151176 /nfs/dbraw/zinc/15/11/76/592151176.db2.gz UPGXBAPHNDDEBK-UHFFFAOYSA-N 2 2 333.480 1.334 20 0 EDADLP CO[C@]1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCS(=O)(=O)C1 ZINC000903368698 592161251 /nfs/dbraw/zinc/16/12/51/592161251.db2.gz PNHXMLMZXFYHHQ-PBHICJAKSA-N 2 2 349.456 1.727 20 0 EDADLP C[NH+]1CCC(O)(CNC(=O)c2c[nH+]ccc2Nc2ccccc2)CC1 ZINC000900898390 592162608 /nfs/dbraw/zinc/16/26/08/592162608.db2.gz AKZHTAJWLLCGGE-UHFFFAOYSA-N 2 2 340.427 1.434 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900920385 592172474 /nfs/dbraw/zinc/17/24/74/592172474.db2.gz KTGXJTAIXZTWGE-HRCADAONSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900920385 592172477 /nfs/dbraw/zinc/17/24/77/592172477.db2.gz KTGXJTAIXZTWGE-HRCADAONSA-N 2 2 337.464 1.099 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000904433397 592255556 /nfs/dbraw/zinc/25/55/56/592255556.db2.gz MZIUEPDHZZEPIO-OAHLLOKOSA-N 2 2 331.526 1.640 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906679197 592260198 /nfs/dbraw/zinc/26/01/98/592260198.db2.gz DVLROBVWUADKDC-QGZVFWFLSA-N 2 2 338.411 1.387 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000901147058 592260655 /nfs/dbraw/zinc/26/06/55/592260655.db2.gz CTWGYMCRVWTOCJ-SLTAFYQDSA-N 2 2 332.448 1.274 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000901147058 592260656 /nfs/dbraw/zinc/26/06/56/592260656.db2.gz CTWGYMCRVWTOCJ-SLTAFYQDSA-N 2 2 332.448 1.274 20 0 EDADLP COCCCOc1cccc(CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)c1 ZINC000904496283 592269584 /nfs/dbraw/zinc/26/95/84/592269584.db2.gz VXLFARLKMKOGOC-QZTJIDSGSA-N 2 2 344.459 1.762 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4[nH]ccc4n3)C2)CC1 ZINC000906661603 592270687 /nfs/dbraw/zinc/27/06/87/592270687.db2.gz SEOTTYBBQSBYLU-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4[nH]ccc4n3)C2)CC1 ZINC000906661603 592270691 /nfs/dbraw/zinc/27/06/91/592270691.db2.gz SEOTTYBBQSBYLU-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3c(C4CC4)nc4sccn34)C[C@H]2[NH3+])c1 ZINC000904490856 592271557 /nfs/dbraw/zinc/27/15/57/592271557.db2.gz JIFQYFSEJIQVMX-CHWSQXEVSA-N 2 2 342.472 1.933 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c[nH+]1 ZINC000901161788 592272529 /nfs/dbraw/zinc/27/25/29/592272529.db2.gz HSLRVGOAMHQIHZ-OWCLPIDISA-N 2 2 334.464 1.637 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(C)[nH+]1 ZINC000906708296 592280877 /nfs/dbraw/zinc/28/08/77/592280877.db2.gz AVCALEAXWXIRSH-QGZVFWFLSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(C)[nH+]1 ZINC000906708296 592280882 /nfs/dbraw/zinc/28/08/82/592280882.db2.gz AVCALEAXWXIRSH-QGZVFWFLSA-N 2 2 346.475 1.143 20 0 EDADLP O=C(CN1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1)Nc1ccccc1 ZINC000903733582 592296384 /nfs/dbraw/zinc/29/63/84/592296384.db2.gz NZJFZDDNRSWPFC-KRWDZBQOSA-N 2 2 330.476 1.632 20 0 EDADLP O=C1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1Cc1cccc(F)c1 ZINC000903733961 592298018 /nfs/dbraw/zinc/29/80/18/592298018.db2.gz NIHUCESTVCNHKL-MJGOQNOKSA-N 2 2 347.434 1.239 20 0 EDADLP O=C1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1Cc1cccc(F)c1 ZINC000903733961 592298022 /nfs/dbraw/zinc/29/80/22/592298022.db2.gz NIHUCESTVCNHKL-MJGOQNOKSA-N 2 2 347.434 1.239 20 0 EDADLP Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756648 592314141 /nfs/dbraw/zinc/31/41/41/592314141.db2.gz UWPPBARORREWJG-JKSUJKDBSA-N 2 2 334.464 1.559 20 0 EDADLP Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756648 592314146 /nfs/dbraw/zinc/31/41/46/592314146.db2.gz UWPPBARORREWJG-JKSUJKDBSA-N 2 2 334.464 1.559 20 0 EDADLP [NH3+][C@@H]1CCc2[nH+]cc(-c3cccc(CN4CCCS4(=O)=O)c3)n2C1 ZINC000904806581 592328915 /nfs/dbraw/zinc/32/89/15/592328915.db2.gz VXBWAFQUMSFPAN-OAHLLOKOSA-N 2 2 346.456 1.359 20 0 EDADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2Cc2nnnn2CC2CCOCC2)CCC1 ZINC000903810550 592330780 /nfs/dbraw/zinc/33/07/80/592330780.db2.gz DNKIJUBOCDCHIJ-MRXNPFEDSA-N 2 2 348.495 1.583 20 0 EDADLP [NH3+]CC1([C@H]2CCCC[N@H+]2Cc2nnnn2CC2CCOCC2)CCC1 ZINC000903810550 592330788 /nfs/dbraw/zinc/33/07/88/592330788.db2.gz DNKIJUBOCDCHIJ-MRXNPFEDSA-N 2 2 348.495 1.583 20 0 EDADLP Cc1cc(-c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc(N)[nH+]1 ZINC000904843520 592333197 /nfs/dbraw/zinc/33/31/97/592333197.db2.gz KOWDJQQUXQOEGB-UHFFFAOYSA-N 2 2 346.456 1.575 20 0 EDADLP COC(=O)c1ccc(OC)c(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903820109 592333236 /nfs/dbraw/zinc/33/32/36/592333236.db2.gz UHFCOVZCMHHKPI-UHFFFAOYSA-N 2 2 348.443 1.826 20 0 EDADLP COC(=O)c1ccc(OC)c(C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903820109 592333243 /nfs/dbraw/zinc/33/32/43/592333243.db2.gz UHFCOVZCMHHKPI-UHFFFAOYSA-N 2 2 348.443 1.826 20 0 EDADLP O[C@H](CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000906790311 592345401 /nfs/dbraw/zinc/34/54/01/592345401.db2.gz RDMDNOASBIMZKN-SFHVURJKSA-N 2 2 337.895 1.914 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903892365 592350231 /nfs/dbraw/zinc/35/02/31/592350231.db2.gz RGGXCMAXTITXDV-STQMWFEESA-N 2 2 332.439 1.034 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903869237 592352170 /nfs/dbraw/zinc/35/21/70/592352170.db2.gz DYLYAHQLTGQZKF-FUHWJXTLSA-N 2 2 333.432 1.213 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903869237 592352173 /nfs/dbraw/zinc/35/21/73/592352173.db2.gz DYLYAHQLTGQZKF-FUHWJXTLSA-N 2 2 333.432 1.213 20 0 EDADLP Cc1noc(C2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000903885930 592363224 /nfs/dbraw/zinc/36/32/24/592363224.db2.gz MBUUJUVLSSEIMA-CQSZACIVSA-N 2 2 331.424 1.274 20 0 EDADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903897738 592367672 /nfs/dbraw/zinc/36/76/72/592367672.db2.gz JIFMAOWEVGYAIE-IKGGRYGDSA-N 2 2 348.495 1.424 20 0 EDADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903897738 592367676 /nfs/dbraw/zinc/36/76/76/592367676.db2.gz JIFMAOWEVGYAIE-IKGGRYGDSA-N 2 2 348.495 1.424 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903898491 592369679 /nfs/dbraw/zinc/36/96/79/592369679.db2.gz NWRKTOIGPKWKPN-CZUORRHYSA-N 2 2 329.452 1.446 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903898491 592369685 /nfs/dbraw/zinc/36/96/85/592369685.db2.gz NWRKTOIGPKWKPN-CZUORRHYSA-N 2 2 329.452 1.446 20 0 EDADLP Cn1cc[nH+]c1CN(C[C@H]([NH3+])CC(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000903905769 592373182 /nfs/dbraw/zinc/37/31/82/592373182.db2.gz NONYDKKFIHLUPL-OLZOCXBDSA-N 3 2 327.423 1.347 20 0 EDADLP C[C@](O)(C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(F)F ZINC000905036282 592373419 /nfs/dbraw/zinc/37/34/19/592373419.db2.gz RZWXMXBWHJJRAK-KRWDZBQOSA-N 2 2 327.419 1.804 20 0 EDADLP Cc1ccc2[nH]c(C[NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)nc2c1 ZINC000903924511 592378985 /nfs/dbraw/zinc/37/89/85/592378985.db2.gz FFXMSBGYXBDSNO-ZDUSSCGKSA-N 2 2 325.420 1.677 20 0 EDADLP Cc1ccc2nc(C[NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)[nH]c2c1 ZINC000903924511 592378991 /nfs/dbraw/zinc/37/89/91/592378991.db2.gz FFXMSBGYXBDSNO-ZDUSSCGKSA-N 2 2 325.420 1.677 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N[C@H](CO)C[NH+]1CCCC1)C(F)(F)F ZINC000908201650 592379414 /nfs/dbraw/zinc/37/94/14/592379414.db2.gz FYRZRUVWBSACHW-RYUDHWBXSA-N 2 2 348.369 1.029 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cnn1C ZINC000903935498 592386103 /nfs/dbraw/zinc/38/61/03/592386103.db2.gz QOWXYMCWJXTIRP-QGZVFWFLSA-N 3 2 349.523 1.033 20 0 EDADLP CCOC(=O)[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H]1CCCOC1 ZINC000903916121 592388855 /nfs/dbraw/zinc/38/88/55/592388855.db2.gz QUGWSMMKBVNGHS-FUHWJXTLSA-N 2 2 332.444 1.780 20 0 EDADLP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974244 592397356 /nfs/dbraw/zinc/39/73/56/592397356.db2.gz NDFWUQFJZRLWTL-MRXNPFEDSA-N 2 2 327.432 1.720 20 0 EDADLP Cc1ccc([C@@H](C[NH2+]C[C@@H](O)C2(O)CCOCC2)[NH+]2CCCC2)cc1 ZINC000905074951 592403103 /nfs/dbraw/zinc/40/31/03/592403103.db2.gz GSRJMMFREDSDGJ-RTBURBONSA-N 2 2 348.487 1.624 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1)C[NH+]1CCOCC1 ZINC000905137722 592431836 /nfs/dbraw/zinc/43/18/36/592431836.db2.gz URIJXBJNPIJLNV-NVXWUHKLSA-N 2 2 347.459 1.466 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000905142432 592435869 /nfs/dbraw/zinc/43/58/69/592435869.db2.gz SGVDGERIMYXITI-UHFFFAOYSA-N 2 2 328.420 1.954 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901730840 592447234 /nfs/dbraw/zinc/44/72/34/592447234.db2.gz XVSYPAPRGCQVNS-GARJFASQSA-N 2 2 343.269 1.853 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(NCCn4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000908347773 592455187 /nfs/dbraw/zinc/45/51/87/592455187.db2.gz LQKYOGXCRALBDR-SJLPKXTDSA-N 2 2 339.443 1.771 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(NCCn4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000908347773 592455190 /nfs/dbraw/zinc/45/51/90/592455190.db2.gz LQKYOGXCRALBDR-SJLPKXTDSA-N 2 2 339.443 1.771 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)[NH+](C)C ZINC000905230342 592458411 /nfs/dbraw/zinc/45/84/11/592458411.db2.gz PIRCJCBHRFVZMM-PBWTXFEYSA-N 2 2 336.476 1.478 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2([NH3+])CC2)C[C@@H](C)O1 ZINC000904295943 592470715 /nfs/dbraw/zinc/47/07/15/592470715.db2.gz MHFOKWMVHXKNGF-ZIAGYGMSSA-N 2 2 332.448 1.909 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000905294529 592487274 /nfs/dbraw/zinc/48/72/74/592487274.db2.gz WYCOVXRLEJJQAN-UHFFFAOYSA-N 2 2 334.420 1.326 20 0 EDADLP C[NH+]1CCC2(CCC(NC(=O)/C=C/C[NH+]3CCOCC3)CC2)CC1 ZINC000908494726 592509071 /nfs/dbraw/zinc/50/90/71/592509071.db2.gz LGAYMTRKXGAEDR-NSCUHMNNSA-N 2 2 335.492 1.646 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1C ZINC000905541196 592557071 /nfs/dbraw/zinc/55/70/71/592557071.db2.gz DAYDDBYCNLNQKH-WMLDXEAASA-N 2 2 344.459 1.824 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[N@H+]1C ZINC000905541196 592557073 /nfs/dbraw/zinc/55/70/73/592557073.db2.gz DAYDDBYCNLNQKH-WMLDXEAASA-N 2 2 344.459 1.824 20 0 EDADLP O[C@H](C[NH2+]CCOC1CCOCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000905611441 592593813 /nfs/dbraw/zinc/59/38/13/592593813.db2.gz YJNTUTDZNRSETE-GOSISDBHSA-N 2 2 334.460 1.191 20 0 EDADLP O[C@H](C[NH2+]CCOC1CCOCC1)C[N@H+]1CCc2ccccc2C1 ZINC000905611441 592593816 /nfs/dbraw/zinc/59/38/16/592593816.db2.gz YJNTUTDZNRSETE-GOSISDBHSA-N 2 2 334.460 1.191 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@@H]2C[NH2+]CCC2(F)F)[nH+]cn1 ZINC000905679604 592610315 /nfs/dbraw/zinc/61/03/15/592610315.db2.gz YIQGWSGAKFBEKM-STQMWFEESA-N 2 2 341.406 1.485 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@@H]2C[NH2+]CCC2(F)F)nc[nH+]1 ZINC000905679604 592610317 /nfs/dbraw/zinc/61/03/17/592610317.db2.gz YIQGWSGAKFBEKM-STQMWFEESA-N 2 2 341.406 1.485 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCCC[C@@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000905682701 592611520 /nfs/dbraw/zinc/61/15/20/592611520.db2.gz NRMLPSWYOUXHKF-FCEWJHQRSA-N 2 2 345.491 1.654 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCCC[C@@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000905682701 592611524 /nfs/dbraw/zinc/61/15/24/592611524.db2.gz NRMLPSWYOUXHKF-FCEWJHQRSA-N 2 2 345.491 1.654 20 0 EDADLP C[C@@H]1CN(c2cc(N3C[C@@H](C)[C@H](CC[NH3+])C3)[nH+]cn2)C[C@H]1CC[NH3+] ZINC000905697350 592627103 /nfs/dbraw/zinc/62/71/03/592627103.db2.gz WUQPVVRJZWLLRW-KLHDSHLOSA-N 3 2 332.496 1.319 20 0 EDADLP O[C@H](C[NH2+]CC1([NH+]2CCSCC2)CCCC1)C1(O)CCCC1 ZINC000905906448 592676045 /nfs/dbraw/zinc/67/60/45/592676045.db2.gz KIBDCTAKAFZRLI-OAHLLOKOSA-N 2 2 328.522 1.604 20 0 EDADLP c1nc(Cn2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nn2)no1 ZINC000906281946 592773488 /nfs/dbraw/zinc/77/34/88/592773488.db2.gz WYFBRKUNORKDEA-CJNGLKHVSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)nn2)no1 ZINC000906281946 592773493 /nfs/dbraw/zinc/77/34/93/592773493.db2.gz WYFBRKUNORKDEA-CJNGLKHVSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)nn2)no1 ZINC000906281946 592773497 /nfs/dbraw/zinc/77/34/97/592773497.db2.gz WYFBRKUNORKDEA-CJNGLKHVSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)nn2)no1 ZINC000906281946 592773500 /nfs/dbraw/zinc/77/35/00/592773500.db2.gz WYFBRKUNORKDEA-CJNGLKHVSA-N 2 2 343.435 1.158 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cn(C4CC4)nn3)CC2)CC1 ZINC000906283467 592774129 /nfs/dbraw/zinc/77/41/29/592774129.db2.gz RGGNHLMMJXQRHU-UHFFFAOYSA-N 2 2 332.496 1.603 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cn(C4CC4)nn3)CC2)CC1 ZINC000906292863 592782262 /nfs/dbraw/zinc/78/22/62/592782262.db2.gz LDGIBPJNFNCPPO-UHFFFAOYSA-N 2 2 332.496 1.463 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000910366624 592845382 /nfs/dbraw/zinc/84/53/82/592845382.db2.gz QPAXDVFDTKEFNO-UHFFFAOYSA-N 2 2 332.448 1.759 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000910366624 592845384 /nfs/dbraw/zinc/84/53/84/592845384.db2.gz QPAXDVFDTKEFNO-UHFFFAOYSA-N 2 2 332.448 1.759 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906593044 592853538 /nfs/dbraw/zinc/85/35/38/592853538.db2.gz JNCDHARBJYFEBK-MRXNPFEDSA-N 2 2 333.480 1.102 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906593044 592853541 /nfs/dbraw/zinc/85/35/41/592853541.db2.gz JNCDHARBJYFEBK-MRXNPFEDSA-N 2 2 333.480 1.102 20 0 EDADLP CN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)C(C)(C)C[NH+]1CCOCC1 ZINC000910573108 592876045 /nfs/dbraw/zinc/87/60/45/592876045.db2.gz OLNABWCQRDQELM-MRXNPFEDSA-N 2 2 349.479 1.359 20 0 EDADLP CN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)C(C)(C)C[NH+]1CCOCC1 ZINC000910573108 592876046 /nfs/dbraw/zinc/87/60/46/592876046.db2.gz OLNABWCQRDQELM-MRXNPFEDSA-N 2 2 349.479 1.359 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000911023878 592909046 /nfs/dbraw/zinc/90/90/46/592909046.db2.gz YITCYXKALLTMQP-MRXNPFEDSA-N 2 2 346.475 1.133 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000911023878 592909047 /nfs/dbraw/zinc/90/90/47/592909047.db2.gz YITCYXKALLTMQP-MRXNPFEDSA-N 2 2 346.475 1.133 20 0 EDADLP CCCC[C@H]1CCC[C@@H]1NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911207279 592954873 /nfs/dbraw/zinc/95/48/73/592954873.db2.gz GZLMZXDWFOAGAA-HOCLYGCPSA-N 2 2 338.496 1.001 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(Nc3nc(N)nc(Cl)c3N)CC2)CC1 ZINC000911808550 593015258 /nfs/dbraw/zinc/01/52/58/593015258.db2.gz DHFDDIQJWRHSMU-UHFFFAOYSA-N 2 2 339.875 1.265 20 0 EDADLP C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000912504977 593101196 /nfs/dbraw/zinc/10/11/96/593101196.db2.gz CJFWJBUXJPMXHX-HJUDDPQBSA-N 2 2 335.492 1.788 20 0 EDADLP C/C(=C\C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000912504977 593101197 /nfs/dbraw/zinc/10/11/97/593101197.db2.gz CJFWJBUXJPMXHX-HJUDDPQBSA-N 2 2 335.492 1.788 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)C2 ZINC000912588976 593106764 /nfs/dbraw/zinc/10/67/64/593106764.db2.gz PYWJOTMAMJKYBS-HNNXBMFYSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)CC2 ZINC000912588976 593106765 /nfs/dbraw/zinc/10/67/65/593106765.db2.gz PYWJOTMAMJKYBS-HNNXBMFYSA-N 2 2 348.491 1.422 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000808193265 593238191 /nfs/dbraw/zinc/23/81/91/593238191.db2.gz VMAARHWKRXQZQR-OAGGEKHMSA-N 2 2 331.464 1.252 20 0 EDADLP CC(C)(C[NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1COCC12OCCO2 ZINC000839171549 593270798 /nfs/dbraw/zinc/27/07/98/593270798.db2.gz BLDLHKHWOWCOPE-HNNXBMFYSA-N 2 2 331.416 1.840 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000802732714 593274053 /nfs/dbraw/zinc/27/40/53/593274053.db2.gz HMLWUOMWFABBAA-GOSISDBHSA-N 2 2 347.463 1.972 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000802732714 593274055 /nfs/dbraw/zinc/27/40/55/593274055.db2.gz HMLWUOMWFABBAA-GOSISDBHSA-N 2 2 347.463 1.972 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000840029269 593392818 /nfs/dbraw/zinc/39/28/18/593392818.db2.gz RTPUGJUXDGEEIR-VPMDVIDWSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000840029269 593392819 /nfs/dbraw/zinc/39/28/19/593392819.db2.gz RTPUGJUXDGEEIR-VPMDVIDWSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000840029269 593392820 /nfs/dbraw/zinc/39/28/20/593392820.db2.gz RTPUGJUXDGEEIR-VPMDVIDWSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000840029269 593392822 /nfs/dbraw/zinc/39/28/22/593392822.db2.gz RTPUGJUXDGEEIR-VPMDVIDWSA-N 2 2 345.487 1.781 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000812836425 593510473 /nfs/dbraw/zinc/51/04/73/593510473.db2.gz CXSMVDNQXXKVAM-MJGOQNOKSA-N 2 2 332.492 1.604 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000812836425 593510474 /nfs/dbraw/zinc/51/04/74/593510474.db2.gz CXSMVDNQXXKVAM-MJGOQNOKSA-N 2 2 332.492 1.604 20 0 EDADLP CCOC(=O)CC(C)(C)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000813335499 593527816 /nfs/dbraw/zinc/52/78/16/593527816.db2.gz CPGYDJVHDPKDIQ-UHFFFAOYSA-N 2 2 339.480 1.206 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C[C@H](C4CC4)CC3=O)CC2)CC1 ZINC000817371723 593597237 /nfs/dbraw/zinc/59/72/37/593597237.db2.gz AVIDKHKYAURCOH-GOSISDBHSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C[C@H](C4CC4)CC3=O)CC2)CC1 ZINC000817371723 593597239 /nfs/dbraw/zinc/59/72/39/593597239.db2.gz AVIDKHKYAURCOH-GOSISDBHSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3C[C@H](C4CC4)CC3=O)CC2)CC1 ZINC000817371723 593597240 /nfs/dbraw/zinc/59/72/40/593597240.db2.gz AVIDKHKYAURCOH-GOSISDBHSA-N 2 2 348.535 1.694 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3C[C@H](C4CC4)CC3=O)CC2)CC1 ZINC000817371723 593597242 /nfs/dbraw/zinc/59/72/42/593597242.db2.gz AVIDKHKYAURCOH-GOSISDBHSA-N 2 2 348.535 1.694 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000817917871 593648404 /nfs/dbraw/zinc/64/84/04/593648404.db2.gz UIIMZJQWKCESNL-KBAYOESNSA-N 2 2 331.460 1.534 20 0 EDADLP CCn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2cccc3[nH+]ccn32)cn1 ZINC000818230784 593685763 /nfs/dbraw/zinc/68/57/63/593685763.db2.gz DVFPQOLJOMBEGM-JKSUJKDBSA-N 2 2 327.388 1.487 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819049278 593735729 /nfs/dbraw/zinc/73/57/29/593735729.db2.gz JFHGRGLSCJIEPM-IUODEOHRSA-N 2 2 342.281 1.318 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819049278 593735730 /nfs/dbraw/zinc/73/57/30/593735730.db2.gz JFHGRGLSCJIEPM-IUODEOHRSA-N 2 2 342.281 1.318 20 0 EDADLP CON(C)C(=O)CC[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000819055151 593736116 /nfs/dbraw/zinc/73/61/16/593736116.db2.gz CTHUAAFNGBNJJC-UHFFFAOYSA-N 2 2 329.510 1.738 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/[C@H]3CCCO3)CC2)CC1 ZINC000819576459 593759449 /nfs/dbraw/zinc/75/94/49/593759449.db2.gz RKBRNTZXHZJOFZ-IPLHWJFFSA-N 2 2 335.492 1.740 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/[C@H]3CCCO3)CC2)CC1 ZINC000819576459 593759450 /nfs/dbraw/zinc/75/94/50/593759450.db2.gz RKBRNTZXHZJOFZ-IPLHWJFFSA-N 2 2 335.492 1.740 20 0 EDADLP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821626952 593888122 /nfs/dbraw/zinc/88/81/22/593888122.db2.gz GYSLGBXMSKMBAU-UHFFFAOYSA-N 2 2 335.481 1.045 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821691293 593916525 /nfs/dbraw/zinc/91/65/25/593916525.db2.gz PCKMIFIVIYPRQH-CQSZACIVSA-N 2 2 346.435 1.076 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821691293 593916526 /nfs/dbraw/zinc/91/65/26/593916526.db2.gz PCKMIFIVIYPRQH-CQSZACIVSA-N 2 2 346.435 1.076 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000824172392 593945539 /nfs/dbraw/zinc/94/55/39/593945539.db2.gz NKWHUGWOOYILHB-IBGZPJMESA-N 2 2 343.427 1.528 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000824172392 593945541 /nfs/dbraw/zinc/94/55/41/593945541.db2.gz NKWHUGWOOYILHB-IBGZPJMESA-N 2 2 343.427 1.528 20 0 EDADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)Cc3[nH]cc[nH+]3)cc2)CC1 ZINC000824316327 593983710 /nfs/dbraw/zinc/98/37/10/593983710.db2.gz JLGLVMDGIQDQRD-UHFFFAOYSA-N 2 2 341.415 1.369 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc(N(C)C)n2C)cn1 ZINC000822451314 594050945 /nfs/dbraw/zinc/05/09/45/594050945.db2.gz IIVLVCFLKBXGRL-UHFFFAOYSA-N 2 2 325.420 1.665 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000822579913 594069057 /nfs/dbraw/zinc/06/90/57/594069057.db2.gz BZDOJQLHCRMLHR-UHFFFAOYSA-N 2 2 328.416 1.890 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000822579913 594069059 /nfs/dbraw/zinc/06/90/59/594069059.db2.gz BZDOJQLHCRMLHR-UHFFFAOYSA-N 2 2 328.416 1.890 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822691845 594086492 /nfs/dbraw/zinc/08/64/92/594086492.db2.gz PVEDHIHZAHRAPV-STQMWFEESA-N 2 2 334.291 1.809 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822691845 594086493 /nfs/dbraw/zinc/08/64/93/594086493.db2.gz PVEDHIHZAHRAPV-STQMWFEESA-N 2 2 334.291 1.809 20 0 EDADLP COC[C@@]1(c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CC[NH2+]C1 ZINC000822729458 594092500 /nfs/dbraw/zinc/09/25/00/594092500.db2.gz ZDAOTSKHYQYFQW-GOSISDBHSA-N 2 2 339.399 1.859 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[NH2+]1 ZINC000825163089 594139447 /nfs/dbraw/zinc/13/94/47/594139447.db2.gz RUYUOUGHECHXOH-GINYUPMKSA-N 2 2 329.444 1.356 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000823584023 594219318 /nfs/dbraw/zinc/21/93/18/594219318.db2.gz AVJMYUKNZVWQDX-VQIMIIECSA-N 2 2 333.476 1.379 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000823584023 594219319 /nfs/dbraw/zinc/21/93/19/594219319.db2.gz AVJMYUKNZVWQDX-VQIMIIECSA-N 2 2 333.476 1.379 20 0 EDADLP O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000825704800 594229608 /nfs/dbraw/zinc/22/96/08/594229608.db2.gz ZFEQRXFFFBKLLA-KRWDZBQOSA-N 2 2 338.415 1.936 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825754539 594238933 /nfs/dbraw/zinc/23/89/33/594238933.db2.gz BOIJNTFBISEOPM-CQSZACIVSA-N 2 2 338.419 1.858 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825754539 594238935 /nfs/dbraw/zinc/23/89/35/594238935.db2.gz BOIJNTFBISEOPM-CQSZACIVSA-N 2 2 338.419 1.858 20 0 EDADLP Cc1[nH]c(-c2cccc(NC(=O)c3cn(CCC[NH3+])nn3)c2)[nH+]c1C ZINC000827600776 594241918 /nfs/dbraw/zinc/24/19/18/594241918.db2.gz QXZMXRTUYMENKH-UHFFFAOYSA-N 2 2 339.403 1.886 20 0 EDADLP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000827626727 594247532 /nfs/dbraw/zinc/24/75/32/594247532.db2.gz ZRTRZJRHQSGHCN-MRXNPFEDSA-N 2 2 334.464 1.177 20 0 EDADLP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000827626727 594247536 /nfs/dbraw/zinc/24/75/36/594247536.db2.gz ZRTRZJRHQSGHCN-MRXNPFEDSA-N 2 2 334.464 1.177 20 0 EDADLP C[NH+]1CCC([NH+]2CCC([NH2+]CC3CCN(C(=O)[O-])CC3)CC2)CC1 ZINC000828467373 594428114 /nfs/dbraw/zinc/42/81/14/594428114.db2.gz WTAPIEQMTQMLLL-UHFFFAOYSA-N 2 2 338.496 1.525 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826331266 594428912 /nfs/dbraw/zinc/42/89/12/594428912.db2.gz AWVWDOMOLUCWSA-INIZCTEOSA-N 2 2 339.403 1.445 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826331266 594428914 /nfs/dbraw/zinc/42/89/14/594428914.db2.gz AWVWDOMOLUCWSA-INIZCTEOSA-N 2 2 339.403 1.445 20 0 EDADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000826605500 594538286 /nfs/dbraw/zinc/53/82/86/594538286.db2.gz RCWOQJGIWBBKBC-GOSISDBHSA-N 2 2 333.476 1.654 20 0 EDADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000826605500 594538287 /nfs/dbraw/zinc/53/82/87/594538287.db2.gz RCWOQJGIWBBKBC-GOSISDBHSA-N 2 2 333.476 1.654 20 0 EDADLP C[N@H+](CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)[C@@H]1CCSC1 ZINC000829059496 594560022 /nfs/dbraw/zinc/56/00/22/594560022.db2.gz NYNLMQKYTFSSRZ-JKSUJKDBSA-N 2 2 346.500 1.830 20 0 EDADLP C[N@@H+](CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)[C@@H]1CCSC1 ZINC000829059496 594560024 /nfs/dbraw/zinc/56/00/24/594560024.db2.gz NYNLMQKYTFSSRZ-JKSUJKDBSA-N 2 2 346.500 1.830 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000826720669 594563553 /nfs/dbraw/zinc/56/35/53/594563553.db2.gz MBNNVFXUYGAKRL-HXUWFJFHSA-N 2 2 347.422 1.815 20 0 EDADLP Cc1ccc(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(N(C)C)[nH+]1 ZINC000831577986 594685011 /nfs/dbraw/zinc/68/50/11/594685011.db2.gz HHCHDNXCVGWKGC-ZDUSSCGKSA-N 2 2 348.451 1.040 20 0 EDADLP CCO[C@@H](CNC(=O)Cc1c[nH+]cn1Cc1ccccc1)C[NH+](C)C ZINC000831724300 594696455 /nfs/dbraw/zinc/69/64/55/594696455.db2.gz NIQJQUDJPYGUJA-SFHVURJKSA-N 2 2 344.459 1.557 20 0 EDADLP CCOc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)ccc1OC(=O)CC ZINC000841100599 594851097 /nfs/dbraw/zinc/85/10/97/594851097.db2.gz JREQOIQTFMRCPE-OAHLLOKOSA-N 2 2 336.432 1.950 20 0 EDADLP CCOc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)ccc1OC(=O)CC ZINC000841100599 594851100 /nfs/dbraw/zinc/85/11/00/594851100.db2.gz JREQOIQTFMRCPE-OAHLLOKOSA-N 2 2 336.432 1.950 20 0 EDADLP [NH3+]CC1(O)CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000841108213 594852032 /nfs/dbraw/zinc/85/20/32/594852032.db2.gz QKYXXNGZUNDARH-UHFFFAOYSA-N 2 2 339.237 1.382 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)c(N(C)C)[nH+]1 ZINC000841169647 594862289 /nfs/dbraw/zinc/86/22/89/594862289.db2.gz XHAIFOSTVVKBEV-AWEZNQCLSA-N 2 2 341.415 1.211 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)N[C@@H](C)CC[NH3+])c1[nH+]ccn1C ZINC000841670833 594933235 /nfs/dbraw/zinc/93/32/35/594933235.db2.gz WDJQSDLBCWVIPF-SWLSCSKDSA-N 2 2 331.420 1.555 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000841672765 594933580 /nfs/dbraw/zinc/93/35/80/594933580.db2.gz QCDNGADOHKVRNA-INIZCTEOSA-N 2 2 342.447 1.974 20 0 EDADLP CC[NH2+]CCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841838297 594961556 /nfs/dbraw/zinc/96/15/56/594961556.db2.gz WOESJCVYEDNMFI-UHFFFAOYSA-N 2 2 333.480 1.630 20 0 EDADLP CC[NH2+]CCNC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841838297 594961557 /nfs/dbraw/zinc/96/15/57/594961557.db2.gz WOESJCVYEDNMFI-UHFFFAOYSA-N 2 2 333.480 1.630 20 0 EDADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCn2cc[nH+]c21 ZINC000836517931 594971252 /nfs/dbraw/zinc/97/12/52/594971252.db2.gz UNXXYCNWZQXCBQ-HOTGVXAUSA-N 2 2 325.416 1.902 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCn2cc[nH+]c21 ZINC000836517931 594971254 /nfs/dbraw/zinc/97/12/54/594971254.db2.gz UNXXYCNWZQXCBQ-HOTGVXAUSA-N 2 2 325.416 1.902 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843353941 595084110 /nfs/dbraw/zinc/08/41/10/595084110.db2.gz RFJDFIPTSKSHKY-SDDRHHMPSA-N 2 2 331.420 1.655 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843353941 595084113 /nfs/dbraw/zinc/08/41/13/595084113.db2.gz RFJDFIPTSKSHKY-SDDRHHMPSA-N 2 2 331.420 1.655 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843353695 595084262 /nfs/dbraw/zinc/08/42/62/595084262.db2.gz MYYPFYCGDBTRIE-IIDMSEBBSA-N 2 2 346.475 1.519 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000843353695 595084265 /nfs/dbraw/zinc/08/42/65/595084265.db2.gz MYYPFYCGDBTRIE-IIDMSEBBSA-N 2 2 346.475 1.519 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843354604 595085133 /nfs/dbraw/zinc/08/51/33/595085133.db2.gz LOOXLZJMGAEVAI-YPMHNXCESA-N 2 2 333.436 1.901 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843354604 595085138 /nfs/dbraw/zinc/08/51/38/595085138.db2.gz LOOXLZJMGAEVAI-YPMHNXCESA-N 2 2 333.436 1.901 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843368386 595089659 /nfs/dbraw/zinc/08/96/59/595089659.db2.gz RMIPDKDYTGRHEN-IBGZPJMESA-N 2 2 341.411 1.937 20 0 EDADLP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000843368386 595089661 /nfs/dbraw/zinc/08/96/61/595089661.db2.gz RMIPDKDYTGRHEN-IBGZPJMESA-N 2 2 341.411 1.937 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842474943 595114386 /nfs/dbraw/zinc/11/43/86/595114386.db2.gz GTAJOROITSTXJV-KZULUSFZSA-N 2 2 343.431 1.671 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842474943 595114390 /nfs/dbraw/zinc/11/43/90/595114390.db2.gz GTAJOROITSTXJV-KZULUSFZSA-N 2 2 343.431 1.671 20 0 EDADLP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000842480455 595116879 /nfs/dbraw/zinc/11/68/79/595116879.db2.gz MNRMORJURIYDEP-UHFFFAOYSA-N 2 2 345.415 1.725 20 0 EDADLP Cn1nc(C(F)(F)F)c(C[N@H+](C)CCN2CC[NH2+]CC2)c1Cl ZINC000843052143 595275147 /nfs/dbraw/zinc/27/51/47/595275147.db2.gz HKXIFTYYZDCSJG-UHFFFAOYSA-N 2 2 339.793 1.429 20 0 EDADLP Cn1nc(C(F)(F)F)c(C[N@@H+](C)CCN2CC[NH2+]CC2)c1Cl ZINC000843052143 595275152 /nfs/dbraw/zinc/27/51/52/595275152.db2.gz HKXIFTYYZDCSJG-UHFFFAOYSA-N 2 2 339.793 1.429 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1[nH+]ccn1C ZINC000844167290 595289405 /nfs/dbraw/zinc/28/94/05/595289405.db2.gz ABOWBWXITSUFMK-SMDDNHRTSA-N 2 2 338.358 1.617 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843123121 595292552 /nfs/dbraw/zinc/29/25/52/595292552.db2.gz ZXJMXOPJWQNFNC-GFCCVEGCSA-N 2 2 327.860 1.201 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843123121 595292553 /nfs/dbraw/zinc/29/25/53/595292553.db2.gz ZXJMXOPJWQNFNC-GFCCVEGCSA-N 2 2 327.860 1.201 20 0 EDADLP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc12 ZINC000843124981 595292874 /nfs/dbraw/zinc/29/28/74/595292874.db2.gz URBQHGDUZOVSAS-AWEZNQCLSA-N 2 2 348.882 1.410 20 0 EDADLP CN(CC(=O)Nc1ccccc1Cl)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846669109 595296866 /nfs/dbraw/zinc/29/68/66/595296866.db2.gz XKAYHFRWCJLOQV-GFCCVEGCSA-N 2 2 326.828 1.016 20 0 EDADLP c1cn(-c2ncccc2-c2noc(C[NH2+]C[C@H]3CCCO3)n2)c[nH+]1 ZINC000843180602 595300508 /nfs/dbraw/zinc/30/05/08/595300508.db2.gz LQFXYRTTXPPNEW-GFCCVEGCSA-N 2 2 326.360 1.586 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)cn1 ZINC000843185087 595300650 /nfs/dbraw/zinc/30/06/50/595300650.db2.gz OGRSXQJTJIELPR-CYBMUJFWSA-N 2 2 326.360 1.157 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218068 595304955 /nfs/dbraw/zinc/30/49/55/595304955.db2.gz OZFXUMGOMOYAHB-OAHLLOKOSA-N 2 2 332.448 1.132 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218068 595304957 /nfs/dbraw/zinc/30/49/57/595304957.db2.gz OZFXUMGOMOYAHB-OAHLLOKOSA-N 2 2 332.448 1.132 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000844224184 595308617 /nfs/dbraw/zinc/30/86/17/595308617.db2.gz DKXNUEWBICRVRZ-HUUCEWRRSA-N 2 2 347.507 1.400 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000844224184 595308619 /nfs/dbraw/zinc/30/86/19/595308619.db2.gz DKXNUEWBICRVRZ-HUUCEWRRSA-N 2 2 347.507 1.400 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CC2(Br)CC2)CC1 ZINC000846832597 595323254 /nfs/dbraw/zinc/32/32/54/595323254.db2.gz FLXIKKQDBVDRJH-GFCCVEGCSA-N 2 2 330.270 1.328 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CC2(Br)CC2)CC1 ZINC000846832597 595323256 /nfs/dbraw/zinc/32/32/56/595323256.db2.gz FLXIKKQDBVDRJH-GFCCVEGCSA-N 2 2 330.270 1.328 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000846848213 595326279 /nfs/dbraw/zinc/32/62/79/595326279.db2.gz AEAQVKCISCGNSS-WOJBJXKFSA-N 2 2 349.519 1.835 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000846848213 595326281 /nfs/dbraw/zinc/32/62/81/595326281.db2.gz AEAQVKCISCGNSS-WOJBJXKFSA-N 2 2 349.519 1.835 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000846848213 595326284 /nfs/dbraw/zinc/32/62/84/595326284.db2.gz AEAQVKCISCGNSS-WOJBJXKFSA-N 2 2 349.519 1.835 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000846848213 595326289 /nfs/dbraw/zinc/32/62/89/595326289.db2.gz AEAQVKCISCGNSS-WOJBJXKFSA-N 2 2 349.519 1.835 20 0 EDADLP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000844334949 595327164 /nfs/dbraw/zinc/32/71/64/595327164.db2.gz MHMOOTBIGBDHNP-SFHVURJKSA-N 2 2 336.451 1.994 20 0 EDADLP C[C@@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c1[nH]cc[nH+]1 ZINC000848386095 595371864 /nfs/dbraw/zinc/37/18/64/595371864.db2.gz HFRAJOBZHDFEQJ-VXGBXAGGSA-N 2 2 339.440 1.432 20 0 EDADLP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000848546219 595404184 /nfs/dbraw/zinc/40/41/84/595404184.db2.gz VNRXVACBDMRCAT-HLLBOEOZSA-N 2 2 339.480 1.696 20 0 EDADLP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC000848599459 595414909 /nfs/dbraw/zinc/41/49/09/595414909.db2.gz JPPBQJLFTFBSQD-AWEZNQCLSA-N 2 2 330.354 1.993 20 0 EDADLP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC000848599459 595414911 /nfs/dbraw/zinc/41/49/11/595414911.db2.gz JPPBQJLFTFBSQD-AWEZNQCLSA-N 2 2 330.354 1.993 20 0 EDADLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC[C@H]1CCCO1 ZINC000849014504 595474810 /nfs/dbraw/zinc/47/48/10/595474810.db2.gz LXEHEBXLJPNLCQ-QGZVFWFLSA-N 2 2 332.448 1.312 20 0 EDADLP CCC(CC)[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[NH+]1CCOCC1 ZINC000849093516 595480260 /nfs/dbraw/zinc/48/02/60/595480260.db2.gz XFQJHZIBABYIDO-GOEBONIOSA-N 2 2 326.485 1.368 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000860030654 595549356 /nfs/dbraw/zinc/54/93/56/595549356.db2.gz TYYDGRQRJIHYQZ-MRXNPFEDSA-N 2 2 337.464 1.546 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCNc2cccc[nH+]2)cn1 ZINC000849493643 595550605 /nfs/dbraw/zinc/55/06/05/595550605.db2.gz LGRUMRWZUIMNBF-HOTGVXAUSA-N 2 2 342.447 1.079 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCCNc2cccc[nH+]2)cn1 ZINC000849493643 595550608 /nfs/dbraw/zinc/55/06/08/595550608.db2.gz LGRUMRWZUIMNBF-HOTGVXAUSA-N 2 2 342.447 1.079 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)[C@@H](c2cnn(C)c2)C1 ZINC000849553090 595563673 /nfs/dbraw/zinc/56/36/73/595563673.db2.gz QGMZSOKTBIKHAD-JKSUJKDBSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)[C@@H](c2cnn(C)c2)C1 ZINC000849553090 595563674 /nfs/dbraw/zinc/56/36/74/595563674.db2.gz QGMZSOKTBIKHAD-JKSUJKDBSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)[C@@H](c2cnn(C)c2)C1 ZINC000849553090 595563675 /nfs/dbraw/zinc/56/36/75/595563675.db2.gz QGMZSOKTBIKHAD-JKSUJKDBSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)[C@@H](c2cnn(C)c2)C1 ZINC000849553090 595563676 /nfs/dbraw/zinc/56/36/76/595563676.db2.gz QGMZSOKTBIKHAD-JKSUJKDBSA-N 2 2 330.436 1.274 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)o1 ZINC000857809135 595622185 /nfs/dbraw/zinc/62/21/85/595622185.db2.gz FQRICXSDQGTJQE-QGZVFWFLSA-N 2 2 349.475 1.547 20 0 EDADLP COC(=O)Cc1cc[nH+]c(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000853159883 595685513 /nfs/dbraw/zinc/68/55/13/595685513.db2.gz IGJYYFAMRKEHSC-MRXNPFEDSA-N 2 2 333.432 1.852 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Br)nc1 ZINC000855414602 595704780 /nfs/dbraw/zinc/70/47/80/595704780.db2.gz ITQBEVMGTQAAAW-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Br)nc1 ZINC000855414602 595704782 /nfs/dbraw/zinc/70/47/82/595704782.db2.gz ITQBEVMGTQAAAW-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000853605036 595828008 /nfs/dbraw/zinc/82/80/08/595828008.db2.gz CIIUJIHUQSEKDD-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000853605036 595828013 /nfs/dbraw/zinc/82/80/13/595828013.db2.gz CIIUJIHUQSEKDD-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CCO1 ZINC000853605036 595828015 /nfs/dbraw/zinc/82/80/15/595828015.db2.gz CIIUJIHUQSEKDD-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CCO1 ZINC000853605036 595828019 /nfs/dbraw/zinc/82/80/19/595828019.db2.gz CIIUJIHUQSEKDD-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP CCc1[nH+]c2ccccc2n1Cc1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000854147450 595990110 /nfs/dbraw/zinc/99/01/10/595990110.db2.gz HPYCTMYINQMCKF-UHFFFAOYSA-N 2 2 338.375 1.247 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000854222317 596006556 /nfs/dbraw/zinc/00/65/56/596006556.db2.gz FEAQSDNNASMDQN-QBPKDAKJSA-N 2 2 335.423 1.154 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000854224911 596007356 /nfs/dbraw/zinc/00/73/56/596007356.db2.gz WXKAXLABMFESNQ-HYVNUMGLSA-N 2 2 333.432 1.364 20 0 EDADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000854232178 596009665 /nfs/dbraw/zinc/00/96/65/596009665.db2.gz NXKHYZXIJVYTQK-ZMSDIMECSA-N 2 2 335.448 1.610 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nccn3C)C2)ccn1 ZINC000856553261 596016937 /nfs/dbraw/zinc/01/69/37/596016937.db2.gz LOMCDIJUTFEYOU-KRWDZBQOSA-N 2 2 329.448 1.920 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nccn3C)C2)ccn1 ZINC000856553261 596016940 /nfs/dbraw/zinc/01/69/40/596016940.db2.gz LOMCDIJUTFEYOU-KRWDZBQOSA-N 2 2 329.448 1.920 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nccn3C)C2)ccn1 ZINC000856553261 596016943 /nfs/dbraw/zinc/01/69/43/596016943.db2.gz LOMCDIJUTFEYOU-KRWDZBQOSA-N 2 2 329.448 1.920 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nccn3C)C2)ccn1 ZINC000856553261 596016946 /nfs/dbraw/zinc/01/69/46/596016946.db2.gz LOMCDIJUTFEYOU-KRWDZBQOSA-N 2 2 329.448 1.920 20 0 EDADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591636 596025577 /nfs/dbraw/zinc/02/55/77/596025577.db2.gz PDJHWRTZDHOXAN-WMLDXEAASA-N 2 2 335.448 1.938 20 0 EDADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591636 596025582 /nfs/dbraw/zinc/02/55/82/596025582.db2.gz PDJHWRTZDHOXAN-WMLDXEAASA-N 2 2 335.448 1.938 20 0 EDADLP CCOC(=O)[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591636 596025586 /nfs/dbraw/zinc/02/55/86/596025586.db2.gz PDJHWRTZDHOXAN-WMLDXEAASA-N 2 2 335.448 1.938 20 0 EDADLP CCOC(=O)[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591636 596025591 /nfs/dbraw/zinc/02/55/91/596025591.db2.gz PDJHWRTZDHOXAN-WMLDXEAASA-N 2 2 335.448 1.938 20 0 EDADLP CCc1noc(C[C@]2(O)CCC[N@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000856596791 596028480 /nfs/dbraw/zinc/02/84/80/596028480.db2.gz LJDJAMSFEAWSDE-QGZVFWFLSA-N 2 2 331.420 1.344 20 0 EDADLP CCc1noc(C[C@]2(O)CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000856596791 596028484 /nfs/dbraw/zinc/02/84/84/596028484.db2.gz LJDJAMSFEAWSDE-QGZVFWFLSA-N 2 2 331.420 1.344 20 0 EDADLP CN(C)c1[nH+]cc(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)n1C ZINC000857064480 596151016 /nfs/dbraw/zinc/15/10/16/596151016.db2.gz ZZGZKYUDMLDARX-INIZCTEOSA-N 2 2 332.452 1.165 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000857075699 596153756 /nfs/dbraw/zinc/15/37/56/596153756.db2.gz GGTIPJXWPVWWMI-RYRKJORJSA-N 2 2 329.444 1.937 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000857075699 596153758 /nfs/dbraw/zinc/15/37/58/596153758.db2.gz GGTIPJXWPVWWMI-RYRKJORJSA-N 2 2 329.444 1.937 20 0 EDADLP COC(=O)N(C)CC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000852568776 596199673 /nfs/dbraw/zinc/19/96/73/596199673.db2.gz OEXASAHCXNVMJD-SFHVURJKSA-N 2 2 349.475 1.908 20 0 EDADLP COC(=O)N(C)CC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000852568776 596199677 /nfs/dbraw/zinc/19/96/77/596199677.db2.gz OEXASAHCXNVMJD-SFHVURJKSA-N 2 2 349.475 1.908 20 0 EDADLP COC(=O)N(C)CC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000852568776 596199681 /nfs/dbraw/zinc/19/96/81/596199681.db2.gz OEXASAHCXNVMJD-SFHVURJKSA-N 2 2 349.475 1.908 20 0 EDADLP COC(=O)N(C)CC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000852568776 596199683 /nfs/dbraw/zinc/19/96/83/596199683.db2.gz OEXASAHCXNVMJD-SFHVURJKSA-N 2 2 349.475 1.908 20 0 EDADLP COC(=O)N(C)CC[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000852571216 596200613 /nfs/dbraw/zinc/20/06/13/596200613.db2.gz LSOHMHPNRZJRPR-HNNXBMFYSA-N 2 2 348.447 1.644 20 0 EDADLP COC(=O)N(C)CC[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000852571216 596200616 /nfs/dbraw/zinc/20/06/16/596200616.db2.gz LSOHMHPNRZJRPR-HNNXBMFYSA-N 2 2 348.447 1.644 20 0 EDADLP CC(=O)c1ccc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c(F)c1 ZINC000852746951 596237649 /nfs/dbraw/zinc/23/76/49/596237649.db2.gz VLZFBBGLSGMFLQ-MRXNPFEDSA-N 2 2 347.434 1.671 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000866538087 596243524 /nfs/dbraw/zinc/24/35/24/596243524.db2.gz SWIZHURWBQOIMF-KRWUTGMMSA-N 2 2 343.471 1.654 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000866538087 596243525 /nfs/dbraw/zinc/24/35/25/596243525.db2.gz SWIZHURWBQOIMF-KRWUTGMMSA-N 2 2 343.471 1.654 20 0 EDADLP C[C@H]1CC[N@H+](Cn2nc3c(cc2=O)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000121617098 596377833 /nfs/dbraw/zinc/37/78/33/596377833.db2.gz GUSRGFAOFWLQBL-YOEHRIQHSA-N 2 2 327.432 1.859 20 0 EDADLP C[C@H]1CC[N@@H+](Cn2nc3c(cc2=O)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000121617098 596377838 /nfs/dbraw/zinc/37/78/38/596377838.db2.gz GUSRGFAOFWLQBL-YOEHRIQHSA-N 2 2 327.432 1.859 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870880602 596387545 /nfs/dbraw/zinc/38/75/45/596387545.db2.gz DZGZYVHVZLAFLL-JCNLHEQBSA-N 2 2 331.460 1.857 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)cc1 ZINC000870893959 596393463 /nfs/dbraw/zinc/39/34/63/596393463.db2.gz BTCXINAYLCTSJW-SIFCLUCFSA-N 2 2 342.487 1.965 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)cc1 ZINC000870893959 596393466 /nfs/dbraw/zinc/39/34/66/596393466.db2.gz BTCXINAYLCTSJW-SIFCLUCFSA-N 2 2 342.487 1.965 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C[C@@H]1C ZINC000869078517 596400727 /nfs/dbraw/zinc/40/07/27/596400727.db2.gz XZBVRIZLHOYPQG-OKILXGFUSA-N 2 2 348.422 1.584 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C[C@@H]1C ZINC000869078517 596400728 /nfs/dbraw/zinc/40/07/28/596400728.db2.gz XZBVRIZLHOYPQG-OKILXGFUSA-N 2 2 348.422 1.584 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000865123779 596485260 /nfs/dbraw/zinc/48/52/60/596485260.db2.gz RSIRNLXHHOAWAJ-UHFFFAOYSA-N 2 2 348.422 1.633 20 0 EDADLP CC(C)c1noc([C@H](C)[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)n1 ZINC000863549607 596614425 /nfs/dbraw/zinc/61/44/25/596614425.db2.gz HENTVVINDJAMGY-YUTCNCBUSA-N 2 2 349.435 1.511 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867914647 596614618 /nfs/dbraw/zinc/61/46/18/596614618.db2.gz NZHDZMIDCNARIF-BQHGXPCASA-N 2 2 343.471 1.513 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867914647 596614619 /nfs/dbraw/zinc/61/46/19/596614619.db2.gz NZHDZMIDCNARIF-BQHGXPCASA-N 2 2 343.471 1.513 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000869761758 596620623 /nfs/dbraw/zinc/62/06/23/596620623.db2.gz CCEWOQCQQYJDPI-MRXNPFEDSA-N 2 2 334.464 1.262 20 0 EDADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC1 ZINC000865637633 596634806 /nfs/dbraw/zinc/63/48/06/596634806.db2.gz DNLOEECHYBKJRW-HNNXBMFYSA-N 2 2 343.422 1.524 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000867976668 596641752 /nfs/dbraw/zinc/64/17/52/596641752.db2.gz PYKTXYVRTBNNST-ZIAGYGMSSA-N 2 2 335.439 1.173 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000867976668 596641753 /nfs/dbraw/zinc/64/17/53/596641753.db2.gz PYKTXYVRTBNNST-ZIAGYGMSSA-N 2 2 335.439 1.173 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CCC(C)(C)[NH3+])C2)c1 ZINC000867998465 596648801 /nfs/dbraw/zinc/64/88/01/596648801.db2.gz WQJAQLIHBITVHT-QGZVFWFLSA-N 2 2 333.476 1.830 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CCC(C)(C)[NH3+])C2)c1 ZINC000867998465 596648803 /nfs/dbraw/zinc/64/88/03/596648803.db2.gz WQJAQLIHBITVHT-QGZVFWFLSA-N 2 2 333.476 1.830 20 0 EDADLP C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000865696447 596652576 /nfs/dbraw/zinc/65/25/76/596652576.db2.gz DIYJLDYYGTTYPD-UXHZXRBQSA-N 2 2 331.460 1.512 20 0 EDADLP C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000865696447 596652579 /nfs/dbraw/zinc/65/25/79/596652579.db2.gz DIYJLDYYGTTYPD-UXHZXRBQSA-N 2 2 331.460 1.512 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)CC[C@@H]21 ZINC000868029933 596660725 /nfs/dbraw/zinc/66/07/25/596660725.db2.gz FORYFKGRTFWGNY-CVEARBPZSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3-n3cc[nH+]c3)CC[C@@H]21 ZINC000868029933 596660728 /nfs/dbraw/zinc/66/07/28/596660728.db2.gz FORYFKGRTFWGNY-CVEARBPZSA-N 2 2 340.431 1.503 20 0 EDADLP Cc1cc(F)ncc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728521 596661450 /nfs/dbraw/zinc/66/14/50/596661450.db2.gz WAMYVIPWTKIEEZ-OAHLLOKOSA-N 2 2 334.439 1.770 20 0 EDADLP Cc1cc(F)ncc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728521 596661451 /nfs/dbraw/zinc/66/14/51/596661451.db2.gz WAMYVIPWTKIEEZ-OAHLLOKOSA-N 2 2 334.439 1.770 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC000865745017 596667260 /nfs/dbraw/zinc/66/72/60/596667260.db2.gz BTTKMGQMNZPFBD-CABCVRRESA-N 2 2 346.431 1.794 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)NCc1c[nH+]c2n1CCCC2 ZINC000868155563 596704638 /nfs/dbraw/zinc/70/46/38/596704638.db2.gz TVWKQWIDSHMUOL-UHFFFAOYSA-N 2 2 327.363 1.865 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NOCCC(F)(F)F ZINC000119689827 596709049 /nfs/dbraw/zinc/70/90/49/596709049.db2.gz LMWIXCWXFLJWMN-UHFFFAOYSA-N 2 2 340.390 1.538 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NOCCC(F)(F)F ZINC000119689827 596709050 /nfs/dbraw/zinc/70/90/50/596709050.db2.gz LMWIXCWXFLJWMN-UHFFFAOYSA-N 2 2 340.390 1.538 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868175807 596712185 /nfs/dbraw/zinc/71/21/85/596712185.db2.gz BNFSILADRZMHDP-XDKFSHSGSA-N 2 2 344.459 1.828 20 0 EDADLP CC1CCC([NH+]2CCN(C(=O)/C=C/C[NH+]3CCOCC3)CC2)CC1 ZINC000865901061 596715605 /nfs/dbraw/zinc/71/56/05/596715605.db2.gz KBEIEVVMVQRAIR-NSCUHMNNSA-N 2 2 335.492 1.598 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2C1 ZINC000868206509 596723672 /nfs/dbraw/zinc/72/36/72/596723672.db2.gz ZCKDWABUKVXVHH-UONOGXRCSA-N 2 2 332.452 1.182 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2C1 ZINC000868206509 596723675 /nfs/dbraw/zinc/72/36/75/596723675.db2.gz ZCKDWABUKVXVHH-UONOGXRCSA-N 2 2 332.452 1.182 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)C(=O)N(C)c1ccc(C)cc1 ZINC000871876458 596725521 /nfs/dbraw/zinc/72/55/21/596725521.db2.gz ZFEDHQYRZKDSGQ-ROUUACIJSA-N 2 2 330.476 1.326 20 0 EDADLP CS[C@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000868287805 596767741 /nfs/dbraw/zinc/76/77/41/596767741.db2.gz LSFJXTFMMPLAOC-UMVBOHGHSA-N 2 2 326.510 1.348 20 0 EDADLP CS[C@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000868287805 596767743 /nfs/dbraw/zinc/76/77/43/596767743.db2.gz LSFJXTFMMPLAOC-UMVBOHGHSA-N 2 2 326.510 1.348 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)CC[NH2+]2)c1 ZINC000870152042 596776075 /nfs/dbraw/zinc/77/60/75/596776075.db2.gz GIHITLGRZKLZEI-PXPSOEEZSA-N 2 2 345.443 1.057 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[NH2+]2)c1 ZINC000870153762 596777425 /nfs/dbraw/zinc/77/74/25/596777425.db2.gz XUONZBNGDGYCGN-GOSISDBHSA-N 2 2 331.460 1.900 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCc3ccccc3C2)C[C@@H]1C(F)(F)F ZINC000872150151 596812606 /nfs/dbraw/zinc/81/26/06/596812606.db2.gz YRAUXHLAZJMMSW-GJZGRUSLSA-N 2 2 341.377 1.640 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCc3ccccc3C2)C[C@@H]1C(F)(F)F ZINC000872150151 596812609 /nfs/dbraw/zinc/81/26/09/596812609.db2.gz YRAUXHLAZJMMSW-GJZGRUSLSA-N 2 2 341.377 1.640 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000872219371 596840537 /nfs/dbraw/zinc/84/05/37/596840537.db2.gz YZUVFJPDJSACPF-KBPBESRZSA-N 2 2 342.867 1.515 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000872219371 596840540 /nfs/dbraw/zinc/84/05/40/596840540.db2.gz YZUVFJPDJSACPF-KBPBESRZSA-N 2 2 342.867 1.515 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)C[C@H]1[NH3+] ZINC000864353016 596866315 /nfs/dbraw/zinc/86/63/15/596866315.db2.gz CDDIIDBTLZSWSJ-NOZJJQNGSA-N 2 2 340.761 1.919 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCN(C)c3ncccc3C2)CC1 ZINC000872318116 596879364 /nfs/dbraw/zinc/87/93/64/596879364.db2.gz HXKJWJAXRATIIY-UHFFFAOYSA-N 2 2 345.491 1.322 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCN(C)c3ncccc3C2)CC1 ZINC000872318116 596879365 /nfs/dbraw/zinc/87/93/65/596879365.db2.gz HXKJWJAXRATIIY-UHFFFAOYSA-N 2 2 345.491 1.322 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866414758 596880822 /nfs/dbraw/zinc/88/08/22/596880822.db2.gz SUFGUCFZXBUJKU-NEWSRXKRSA-N 2 2 346.519 1.727 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866414758 596880824 /nfs/dbraw/zinc/88/08/24/596880824.db2.gz SUFGUCFZXBUJKU-NEWSRXKRSA-N 2 2 346.519 1.727 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414758 596880825 /nfs/dbraw/zinc/88/08/25/596880825.db2.gz SUFGUCFZXBUJKU-NEWSRXKRSA-N 2 2 346.519 1.727 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866414758 596880827 /nfs/dbraw/zinc/88/08/27/596880827.db2.gz SUFGUCFZXBUJKU-NEWSRXKRSA-N 2 2 346.519 1.727 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000864408205 596885588 /nfs/dbraw/zinc/88/55/88/596885588.db2.gz VWCGCFHXZGRGRG-HNNXBMFYSA-N 2 2 337.468 1.271 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)C2)cc1 ZINC000875583255 596905582 /nfs/dbraw/zinc/90/55/82/596905582.db2.gz ZQXFUQNEZCIOOD-WMZOPIPTSA-N 2 2 348.491 1.445 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)C2)cc1 ZINC000875583255 596905584 /nfs/dbraw/zinc/90/55/84/596905584.db2.gz ZQXFUQNEZCIOOD-WMZOPIPTSA-N 2 2 348.491 1.445 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nc2)CC1 ZINC000874068445 596915887 /nfs/dbraw/zinc/91/58/87/596915887.db2.gz KXZZMUQFYYZAAX-ZIAGYGMSSA-N 2 2 326.404 1.299 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nc2)CC1 ZINC000874068445 596915890 /nfs/dbraw/zinc/91/58/90/596915890.db2.gz KXZZMUQFYYZAAX-ZIAGYGMSSA-N 2 2 326.404 1.299 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000875625752 596924139 /nfs/dbraw/zinc/92/41/39/596924139.db2.gz FRCJSTZZRUWDPZ-OAHLLOKOSA-N 2 2 335.452 1.328 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000875709910 596955858 /nfs/dbraw/zinc/95/58/58/596955858.db2.gz MDVKUBZFQSIYTR-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000875709910 596955862 /nfs/dbraw/zinc/95/58/62/596955862.db2.gz MDVKUBZFQSIYTR-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000875709910 596955865 /nfs/dbraw/zinc/95/58/65/596955865.db2.gz MDVKUBZFQSIYTR-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000875709910 596955869 /nfs/dbraw/zinc/95/58/69/596955869.db2.gz MDVKUBZFQSIYTR-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCCCCCNC(=O)CC2)C1 ZINC000872668120 597022477 /nfs/dbraw/zinc/02/24/77/597022477.db2.gz WWXRQOYIBJWCRS-HNNXBMFYSA-N 2 2 347.463 1.076 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCCCCCNC(=O)CC2)C1 ZINC000872668120 597022480 /nfs/dbraw/zinc/02/24/80/597022480.db2.gz WWXRQOYIBJWCRS-HNNXBMFYSA-N 2 2 347.463 1.076 20 0 EDADLP CC1=NO[C@H](CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000875970004 597051751 /nfs/dbraw/zinc/05/17/51/597051751.db2.gz YCIINKIXOLRMQU-WFVVYAPDSA-N 2 2 349.479 1.104 20 0 EDADLP CC1=NO[C@H](CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000875970004 597051754 /nfs/dbraw/zinc/05/17/54/597051754.db2.gz YCIINKIXOLRMQU-WFVVYAPDSA-N 2 2 349.479 1.104 20 0 EDADLP Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CC[C@H]([NH3+])CC1 ZINC000872783227 597066110 /nfs/dbraw/zinc/06/61/10/597066110.db2.gz QDLUWHSXHSIJJM-ZKCHVHJHSA-N 2 2 325.214 1.808 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000874432439 597075797 /nfs/dbraw/zinc/07/57/97/597075797.db2.gz YZCKQOALCXBLHY-SFHVURJKSA-N 2 2 340.512 1.504 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000876208882 597137765 /nfs/dbraw/zinc/13/77/65/597137765.db2.gz VSDUHPVXQFLFMW-GOSISDBHSA-N 2 2 346.475 1.537 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000876208882 597137768 /nfs/dbraw/zinc/13/77/68/597137768.db2.gz VSDUHPVXQFLFMW-GOSISDBHSA-N 2 2 346.475 1.537 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000874702876 597146990 /nfs/dbraw/zinc/14/69/90/597146990.db2.gz OYLITUQCEUYPJQ-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000874702876 597146993 /nfs/dbraw/zinc/14/69/93/597146993.db2.gz OYLITUQCEUYPJQ-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000874702876 597146996 /nfs/dbraw/zinc/14/69/96/597146996.db2.gz OYLITUQCEUYPJQ-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000874702876 597146997 /nfs/dbraw/zinc/14/69/97/597146997.db2.gz OYLITUQCEUYPJQ-ROUUACIJSA-N 2 2 346.475 1.273 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000874829587 597188442 /nfs/dbraw/zinc/18/84/42/597188442.db2.gz MPHLKQMCBVJATB-QZTJIDSGSA-N 2 2 344.459 1.223 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000874829587 597188444 /nfs/dbraw/zinc/18/84/44/597188444.db2.gz MPHLKQMCBVJATB-QZTJIDSGSA-N 2 2 344.459 1.223 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874889465 597210598 /nfs/dbraw/zinc/21/05/98/597210598.db2.gz KWZUNESBFZCXNG-HOCLYGCPSA-N 2 2 328.391 1.758 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874893882 597212251 /nfs/dbraw/zinc/21/22/51/597212251.db2.gz VWYQAZCKPCFRPV-RHSMWYFYSA-N 2 2 335.423 1.267 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000874977514 597228296 /nfs/dbraw/zinc/22/82/96/597228296.db2.gz XGCIYDXZOIGXPH-UHFFFAOYSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000873209868 597228645 /nfs/dbraw/zinc/22/86/45/597228645.db2.gz USQMNZIIRFYMQI-YJBOKZPZSA-N 3 2 348.560 1.852 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000873209868 597228649 /nfs/dbraw/zinc/22/86/49/597228649.db2.gz USQMNZIIRFYMQI-YJBOKZPZSA-N 3 2 348.560 1.852 20 0 EDADLP Cc1cc(C)n2c(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cnc2n1 ZINC000873228830 597234757 /nfs/dbraw/zinc/23/47/57/597234757.db2.gz WHZMLDYQTDXGHO-AAEUAGOBSA-N 2 2 327.354 1.915 20 0 EDADLP Cc1cc(C)n2c(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cnc2n1 ZINC000873228830 597234760 /nfs/dbraw/zinc/23/47/60/597234760.db2.gz WHZMLDYQTDXGHO-AAEUAGOBSA-N 2 2 327.354 1.915 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1nnnn1C1CC1 ZINC000873248147 597239597 /nfs/dbraw/zinc/23/95/97/597239597.db2.gz AFCKSYUQEQQKJG-WBHUJUFNSA-N 2 2 340.431 1.915 20 0 EDADLP Cn1ncc(I)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873276618 597245712 /nfs/dbraw/zinc/24/57/12/597245712.db2.gz QPAPGGLCRKLWBU-ULKQDVFKSA-N 2 2 346.216 1.397 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2[nH+]cc(C)c(OC)c2C)c1 ZINC000876742531 597317330 /nfs/dbraw/zinc/31/73/30/597317330.db2.gz YCUWGWLDYBNSFD-INIZCTEOSA-N 2 2 343.427 1.902 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876752167 597322472 /nfs/dbraw/zinc/32/24/72/597322472.db2.gz IKKVFPJNRXWCCU-WBVHZDCISA-N 2 2 331.460 1.713 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876893433 597372482 /nfs/dbraw/zinc/37/24/82/597372482.db2.gz YWHWUEATQLZTHM-VNHYZAJKSA-N 2 2 325.453 1.901 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000876892583 597372876 /nfs/dbraw/zinc/37/28/76/597372876.db2.gz LBPVTHNZTOOHFI-CAPXZKIUSA-N 2 2 341.377 1.774 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000876892583 597372881 /nfs/dbraw/zinc/37/28/81/597372881.db2.gz LBPVTHNZTOOHFI-CAPXZKIUSA-N 2 2 341.377 1.774 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876996411 597407472 /nfs/dbraw/zinc/40/74/72/597407472.db2.gz SXJMDAYROPSJFW-OAHLLOKOSA-N 2 2 338.883 1.955 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876996411 597407474 /nfs/dbraw/zinc/40/74/74/597407474.db2.gz SXJMDAYROPSJFW-OAHLLOKOSA-N 2 2 338.883 1.955 20 0 EDADLP Cc1cc(NCCNC(=O)CO[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000877028206 597416131 /nfs/dbraw/zinc/41/61/31/597416131.db2.gz WGBMQHPHARTBCN-CQSZACIVSA-N 2 2 335.452 1.205 20 0 EDADLP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[nH]1 ZINC000877030896 597416814 /nfs/dbraw/zinc/41/68/14/597416814.db2.gz JTGXHWJMKOPOOL-MRXNPFEDSA-N 2 2 335.448 1.924 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000877248181 597478396 /nfs/dbraw/zinc/47/83/96/597478396.db2.gz HJHXABCEDJMZSI-RBUKOAKNSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000877248181 597478398 /nfs/dbraw/zinc/47/83/98/597478398.db2.gz HJHXABCEDJMZSI-RBUKOAKNSA-N 2 2 345.487 1.702 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)CC1 ZINC000877251898 597480225 /nfs/dbraw/zinc/48/02/25/597480225.db2.gz WUJSCJHRLJZIRL-JQHSSLGASA-N 2 2 334.508 1.146 20 0 EDADLP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000877390390 597507925 /nfs/dbraw/zinc/50/79/25/597507925.db2.gz JPOUJVRFEVXGNH-LMMKCTJWSA-N 2 2 329.444 1.288 20 0 EDADLP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000877390390 597507927 /nfs/dbraw/zinc/50/79/27/597507927.db2.gz JPOUJVRFEVXGNH-LMMKCTJWSA-N 2 2 329.444 1.288 20 0 EDADLP CCOC(=O)c1cc(OCC)ccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000877429283 597514147 /nfs/dbraw/zinc/51/41/47/597514147.db2.gz DJQOQZXYJWPEEL-CQSZACIVSA-N 2 2 337.420 1.480 20 0 EDADLP COc1cnc(F)c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000877525558 597530825 /nfs/dbraw/zinc/53/08/25/597530825.db2.gz HFVVJGRSRMRHQM-INIZCTEOSA-N 2 2 336.455 1.830 20 0 EDADLP COc1cnc(F)c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000877525558 597530826 /nfs/dbraw/zinc/53/08/26/597530826.db2.gz HFVVJGRSRMRHQM-INIZCTEOSA-N 2 2 336.455 1.830 20 0 EDADLP COC(=O)c1cc(C(=O)C[N@H+](C)CCCn2cc[nH+]c2C)c(C)[nH]1 ZINC000878288592 597592738 /nfs/dbraw/zinc/59/27/38/597592738.db2.gz YZRBXQMVUQKPFG-UHFFFAOYSA-N 2 2 332.404 1.819 20 0 EDADLP COC(=O)c1cc(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)[nH]1 ZINC000878288592 597592739 /nfs/dbraw/zinc/59/27/39/597592739.db2.gz YZRBXQMVUQKPFG-UHFFFAOYSA-N 2 2 332.404 1.819 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000878328019 597595765 /nfs/dbraw/zinc/59/57/65/597595765.db2.gz YHCBVCSXHWUXNF-CQSZACIVSA-N 2 2 346.479 1.072 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000878328019 597595766 /nfs/dbraw/zinc/59/57/66/597595766.db2.gz YHCBVCSXHWUXNF-CQSZACIVSA-N 2 2 346.479 1.072 20 0 EDADLP C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CCN1c1cc[nH+]cc1 ZINC000883035430 597626815 /nfs/dbraw/zinc/62/68/15/597626815.db2.gz BWZMSSHFVGTMDB-HNNXBMFYSA-N 2 2 328.420 1.589 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cncc4[nH]ccc43)CC2)CC1 ZINC000878553113 597632906 /nfs/dbraw/zinc/63/29/06/597632906.db2.gz MXUAXZCJVPVRPV-UHFFFAOYSA-N 2 2 341.459 1.851 20 0 EDADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@@H]21 ZINC000879578718 597641291 /nfs/dbraw/zinc/64/12/91/597641291.db2.gz GRJQAABYRATKAH-OAGGEKHMSA-N 2 2 339.480 1.648 20 0 EDADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@@H]21 ZINC000879578718 597641295 /nfs/dbraw/zinc/64/12/95/597641295.db2.gz GRJQAABYRATKAH-OAGGEKHMSA-N 2 2 339.480 1.648 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@@H]21 ZINC000879578718 597641296 /nfs/dbraw/zinc/64/12/96/597641296.db2.gz GRJQAABYRATKAH-OAGGEKHMSA-N 2 2 339.480 1.648 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@@H]21 ZINC000879578718 597641300 /nfs/dbraw/zinc/64/13/00/597641300.db2.gz GRJQAABYRATKAH-OAGGEKHMSA-N 2 2 339.480 1.648 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879603351 597654342 /nfs/dbraw/zinc/65/43/42/597654342.db2.gz CLMKZCHXMMZRGC-GOSISDBHSA-N 2 2 349.475 1.690 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879603351 597654343 /nfs/dbraw/zinc/65/43/43/597654343.db2.gz CLMKZCHXMMZRGC-GOSISDBHSA-N 2 2 349.475 1.690 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883174743 597676839 /nfs/dbraw/zinc/67/68/39/597676839.db2.gz RQBBGXPYWJGHQY-KRWDZBQOSA-N 2 2 349.479 1.606 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371024 597725654 /nfs/dbraw/zinc/72/56/54/597725654.db2.gz XLSVEKCJVJKQNL-MSOLQXFVSA-N 2 2 335.496 1.048 20 0 EDADLP COC(=O)NC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000879006033 597784184 /nfs/dbraw/zinc/78/41/84/597784184.db2.gz FBZNTLFUQSQIGX-LJQANCHMSA-N 2 2 347.459 1.444 20 0 EDADLP COC(=O)NC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000879006033 597784185 /nfs/dbraw/zinc/78/41/85/597784185.db2.gz FBZNTLFUQSQIGX-LJQANCHMSA-N 2 2 347.459 1.444 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000884086868 597990997 /nfs/dbraw/zinc/99/09/97/597990997.db2.gz KFAUKNAEWFLSME-MRXNPFEDSA-N 2 2 342.447 1.979 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000884185247 598018580 /nfs/dbraw/zinc/01/85/80/598018580.db2.gz PDCGINKYYYBAAY-CQSZACIVSA-N 2 2 338.249 1.756 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873276 598090557 /nfs/dbraw/zinc/09/05/57/598090557.db2.gz WLIKJXJBPWLBNZ-AEFFLSMTSA-N 2 2 342.443 1.709 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]3C[NH2+]CC3(C)C)C2)c1 ZINC000884470198 598114212 /nfs/dbraw/zinc/11/42/12/598114212.db2.gz HWCODLCVJRTBEC-ZWKOTPCHSA-N 2 2 345.487 1.558 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]3C[NH2+]CC3(C)C)C2)c1 ZINC000884470198 598114213 /nfs/dbraw/zinc/11/42/13/598114213.db2.gz HWCODLCVJRTBEC-ZWKOTPCHSA-N 2 2 345.487 1.558 20 0 EDADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030987841 695093130 /nfs/dbraw/zinc/09/31/30/695093130.db2.gz UENRXXCUFZLTKT-OLMNPRSZSA-N 2 2 331.460 1.167 20 0 EDADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030987841 695093132 /nfs/dbraw/zinc/09/31/32/695093132.db2.gz UENRXXCUFZLTKT-OLMNPRSZSA-N 2 2 331.460 1.167 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCOCC3)[C@@H]2C1 ZINC000992882397 695428754 /nfs/dbraw/zinc/42/87/54/695428754.db2.gz ZQNKOHUJMIWDDV-GVDBMIGSSA-N 2 2 346.475 1.596 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nncs3)[C@@H]2C1 ZINC000992908668 695445003 /nfs/dbraw/zinc/44/50/03/695445003.db2.gz ACDBJUUZNXLULA-BFHYXJOUSA-N 2 2 346.460 1.152 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)o1 ZINC000992925034 695456608 /nfs/dbraw/zinc/45/66/08/695456608.db2.gz NUZXUGZCMHHDNS-OWCLPIDISA-N 2 2 343.431 1.596 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)cc1 ZINC001031103972 695529017 /nfs/dbraw/zinc/52/90/17/695529017.db2.gz BDJXUJLFNDRTTP-GOSISDBHSA-N 2 2 345.487 1.977 20 0 EDADLP CO[C@@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031266693 696079592 /nfs/dbraw/zinc/07/95/92/696079592.db2.gz YJEIGQDVDIOTTJ-SFHVURJKSA-N 2 2 343.471 1.140 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](CCC2CCOCC2)C1 ZINC001031267323 696081699 /nfs/dbraw/zinc/08/16/99/696081699.db2.gz BKTKNBDBQKZLAG-UHFFFAOYSA-N 2 2 332.448 1.378 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1Cc1ccnn1C ZINC000993569188 696249396 /nfs/dbraw/zinc/24/93/96/696249396.db2.gz OVVVEJQOUBUGSG-WBVHZDCISA-N 2 2 345.491 1.518 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1Cc1ccnn1C ZINC000993569188 696249397 /nfs/dbraw/zinc/24/93/97/696249397.db2.gz OVVVEJQOUBUGSG-WBVHZDCISA-N 2 2 345.491 1.518 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cncn2C)[C@@H]1C ZINC000993623816 696288761 /nfs/dbraw/zinc/28/87/61/696288761.db2.gz QRVCRKXMYZRXQK-GDBMZVCRSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncn2C)[C@@H]1C ZINC000993623816 696288762 /nfs/dbraw/zinc/28/87/62/696288762.db2.gz QRVCRKXMYZRXQK-GDBMZVCRSA-N 2 2 330.436 1.094 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCC[N@@H+]1CCO ZINC000994146160 696541942 /nfs/dbraw/zinc/54/19/42/696541942.db2.gz LJMHQNJGRICLJA-WMLDXEAASA-N 2 2 328.416 1.447 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CCC[N@H+]1CCO ZINC000994146160 696541943 /nfs/dbraw/zinc/54/19/43/696541943.db2.gz LJMHQNJGRICLJA-WMLDXEAASA-N 2 2 328.416 1.447 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1ccc(F)cn1 ZINC000994255233 696659768 /nfs/dbraw/zinc/65/97/68/696659768.db2.gz QDVKUDMHKPFJHE-PBHICJAKSA-N 2 2 346.450 1.786 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000994255233 696659770 /nfs/dbraw/zinc/65/97/70/696659770.db2.gz QDVKUDMHKPFJHE-PBHICJAKSA-N 2 2 346.450 1.786 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000916837307 696794807 /nfs/dbraw/zinc/79/48/07/696794807.db2.gz RKDJSEZAHUQRIG-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000916837307 696794809 /nfs/dbraw/zinc/79/48/09/696794809.db2.gz RKDJSEZAHUQRIG-CVEARBPZSA-N 2 2 326.485 1.128 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)on1 ZINC000994411389 696837325 /nfs/dbraw/zinc/83/73/25/696837325.db2.gz UCOIPHSYLHTRIZ-CZUORRHYSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)on1 ZINC000994411389 696837329 /nfs/dbraw/zinc/83/73/29/696837329.db2.gz UCOIPHSYLHTRIZ-CZUORRHYSA-N 2 2 331.420 1.657 20 0 EDADLP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1COc2ccccc2O1 ZINC000917047559 696883463 /nfs/dbraw/zinc/88/34/63/696883463.db2.gz NCVKWXGOMKQXCK-SJORKVTESA-N 2 2 334.460 1.995 20 0 EDADLP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1COc2ccccc2O1 ZINC000917047559 696883467 /nfs/dbraw/zinc/88/34/67/696883467.db2.gz NCVKWXGOMKQXCK-SJORKVTESA-N 2 2 334.460 1.995 20 0 EDADLP CO[C@H](Cc1ccccc1)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389275 697009628 /nfs/dbraw/zinc/00/96/28/697009628.db2.gz JQNZIOGBEJHCHW-GOSISDBHSA-N 2 2 331.460 1.140 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001031681320 697504450 /nfs/dbraw/zinc/50/44/50/697504450.db2.gz MTQHKTGOTLYKIX-IIAWOOMASA-N 2 2 331.464 1.234 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001031681320 697504451 /nfs/dbraw/zinc/50/44/51/697504451.db2.gz MTQHKTGOTLYKIX-IIAWOOMASA-N 2 2 331.464 1.234 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031712000 697724506 /nfs/dbraw/zinc/72/45/06/697724506.db2.gz OKAYPHSFYKXCMA-QGZVFWFLSA-N 2 2 334.439 1.643 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001031712000 697724510 /nfs/dbraw/zinc/72/45/10/697724510.db2.gz OKAYPHSFYKXCMA-QGZVFWFLSA-N 2 2 334.439 1.643 20 0 EDADLP CO[C@H](C)C[NH+]1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001032098017 698722584 /nfs/dbraw/zinc/72/25/84/698722584.db2.gz FGEMRKIUWXGZGY-CQSZACIVSA-N 2 2 328.416 1.569 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC001032098048 698723149 /nfs/dbraw/zinc/72/31/49/698723149.db2.gz GRAHGLFKRCIKRO-OAHLLOKOSA-N 2 2 340.427 1.570 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)cs1 ZINC000943765346 698815318 /nfs/dbraw/zinc/81/53/18/698815318.db2.gz CAWLWUVMCSLVGK-DOMZBBRYSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)cs1 ZINC000943765346 698815320 /nfs/dbraw/zinc/81/53/20/698815320.db2.gz CAWLWUVMCSLVGK-DOMZBBRYSA-N 2 2 347.488 1.786 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccon3)C[C@H]2C)CC1 ZINC000943755259 698827768 /nfs/dbraw/zinc/82/77/68/698827768.db2.gz AUJSOLYHNDGKAF-WBVHZDCISA-N 2 2 334.464 1.733 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccon3)C[C@H]2C)CC1 ZINC000943755259 698827772 /nfs/dbraw/zinc/82/77/72/698827772.db2.gz AUJSOLYHNDGKAF-WBVHZDCISA-N 2 2 334.464 1.733 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3nccn3C)C[C@H]2C)CC1 ZINC000943756314 698831505 /nfs/dbraw/zinc/83/15/05/698831505.db2.gz OGXGAEIZVUXFOX-IAGOWNOFSA-N 2 2 347.507 1.479 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3nccn3C)C[C@H]2C)CC1 ZINC000943756314 698831511 /nfs/dbraw/zinc/83/15/11/698831511.db2.gz OGXGAEIZVUXFOX-IAGOWNOFSA-N 2 2 347.507 1.479 20 0 EDADLP Cc1ncsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995151848 701552088 /nfs/dbraw/zinc/55/20/88/701552088.db2.gz JCCUAYWMYHRKEI-STQMWFEESA-N 2 2 333.461 1.792 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031782781 699204414 /nfs/dbraw/zinc/20/44/14/699204414.db2.gz LVTNKCFVAAIMPD-NVXWUHKLSA-N 2 2 346.475 1.310 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031783977 699213168 /nfs/dbraw/zinc/21/31/68/699213168.db2.gz JJDHTOYGXHNCRV-HZPDHXFCSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000995161365 701582527 /nfs/dbraw/zinc/58/25/27/701582527.db2.gz PFUDARRSOPFNDJ-UONOGXRCSA-N 2 2 331.420 1.334 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)o1 ZINC000939210035 699357323 /nfs/dbraw/zinc/35/73/23/699357323.db2.gz LEGKXRUHIPTGMO-BXUZGUMPSA-N 2 2 331.420 1.448 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1nccn1C(F)F ZINC000939211420 699359420 /nfs/dbraw/zinc/35/94/20/699359420.db2.gz RNSSXBQEENRLOK-CMPLNLGQSA-N 2 2 338.362 1.181 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939212641 699361664 /nfs/dbraw/zinc/36/16/64/699361664.db2.gz ZWJLOVHDBCRPLU-GUYCJALGSA-N 2 2 328.416 1.081 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)c(C)n1 ZINC000939213020 699362184 /nfs/dbraw/zinc/36/21/84/699362184.db2.gz ANHMRHLSBBTYGV-SJCJKPOMSA-N 2 2 327.432 1.601 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c1 ZINC000939216450 699388525 /nfs/dbraw/zinc/38/85/25/699388525.db2.gz VYDLIIQEIPDNNO-CXAGYDPISA-N 2 2 328.416 1.598 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)C12CCC[NH+]1CCC2 ZINC001031812760 699486722 /nfs/dbraw/zinc/48/67/22/699486722.db2.gz JXBZBBAVOBCKGT-UHFFFAOYSA-N 2 2 332.423 1.397 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)on1 ZINC000995163392 701595425 /nfs/dbraw/zinc/59/54/25/701595425.db2.gz WGXWDPWVVAQQLF-OLZOCXBDSA-N 2 2 347.419 1.034 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)s1 ZINC000939409573 699564063 /nfs/dbraw/zinc/56/40/63/699564063.db2.gz VZISOYDKFGSGRV-ZWNOBZJWSA-N 2 2 333.461 1.662 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000939414050 699567126 /nfs/dbraw/zinc/56/71/26/699567126.db2.gz UQRSQXOOMRGTIE-LRDDRELGSA-N 2 2 348.397 1.910 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163998 701599186 /nfs/dbraw/zinc/59/91/86/701599186.db2.gz YHYVJFREJOYLPZ-STQMWFEESA-N 2 2 348.476 1.197 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)c(C)o1 ZINC000939533974 699672062 /nfs/dbraw/zinc/67/20/62/699672062.db2.gz HHOUOPCNFAVVES-BZNIZROVSA-N 2 2 331.420 1.204 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)n1 ZINC000939547549 699672878 /nfs/dbraw/zinc/67/28/78/699672878.db2.gz XPQLFFHVGDJGAB-KBPBESRZSA-N 2 2 347.463 1.225 20 0 EDADLP Cc1nonc1C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000939550359 699699519 /nfs/dbraw/zinc/69/95/19/699699519.db2.gz JFFUJIOSJAZQPD-ABAIWWIYSA-N 2 2 344.419 1.089 20 0 EDADLP CC[C@@H](F)C[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001031838136 699800998 /nfs/dbraw/zinc/80/09/98/699800998.db2.gz NCWQZXHBFBNGOY-CQSZACIVSA-N 2 2 331.395 1.677 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)o1 ZINC000939755877 699899364 /nfs/dbraw/zinc/89/93/64/699899364.db2.gz RHUWKFPFQZPCNY-KBPBESRZSA-N 2 2 335.452 1.225 20 0 EDADLP CCCCc1noc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)n1 ZINC000939752881 699902226 /nfs/dbraw/zinc/90/22/26/699902226.db2.gz AYROMLKXSNKAES-GJZGRUSLSA-N 2 2 349.479 1.445 20 0 EDADLP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)no1 ZINC000940176392 700308981 /nfs/dbraw/zinc/30/89/81/700308981.db2.gz IOUPIDJVFQTKDD-CYBMUJFWSA-N 2 2 337.468 1.443 20 0 EDADLP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000940183608 700340584 /nfs/dbraw/zinc/34/05/84/700340584.db2.gz UAIFSLQMHLPTTL-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP CCc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995167053 701633263 /nfs/dbraw/zinc/63/32/63/701633263.db2.gz JIVGYFAWABCQFN-ZFWWWQNUSA-N 2 2 345.447 1.588 20 0 EDADLP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000940243004 700403977 /nfs/dbraw/zinc/40/39/77/700403977.db2.gz CNIOFULVOXXIAF-UHFFFAOYSA-N 2 2 342.447 1.543 20 0 EDADLP COc1cccc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000940353452 700537187 /nfs/dbraw/zinc/53/71/87/700537187.db2.gz OXICSFLZBGWVII-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940371978 700554855 /nfs/dbraw/zinc/55/48/55/700554855.db2.gz WWVUZVRZOHOIEF-JKSUJKDBSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940371978 700554857 /nfs/dbraw/zinc/55/48/57/700554857.db2.gz WWVUZVRZOHOIEF-JKSUJKDBSA-N 2 2 348.491 1.986 20 0 EDADLP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)o1 ZINC000940426522 700620443 /nfs/dbraw/zinc/62/04/43/700620443.db2.gz UWAPTOYOELRNSS-UHFFFAOYSA-N 2 2 346.435 1.550 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940441311 700642557 /nfs/dbraw/zinc/64/25/57/700642557.db2.gz DACPUGLBWCOHMS-HNNXBMFYSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1conc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000940445884 700647951 /nfs/dbraw/zinc/64/79/51/700647951.db2.gz VXRPQYPVGLASQK-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP Cc1ncsc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995168921 701667499 /nfs/dbraw/zinc/66/74/99/701667499.db2.gz OEMLAPLKWBENNT-ZIAGYGMSSA-N 2 2 347.488 1.802 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c(C)o1 ZINC000995105271 700919530 /nfs/dbraw/zinc/91/95/30/700919530.db2.gz FLSVXUUPPCASFC-KGLIPLIRSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)c[nH+]1 ZINC000940836962 700934746 /nfs/dbraw/zinc/93/47/46/700934746.db2.gz PGSHRBIXEUEZIP-HNNXBMFYSA-N 2 2 336.480 1.526 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)c[nH+]1 ZINC000940836962 700934748 /nfs/dbraw/zinc/93/47/48/700934748.db2.gz PGSHRBIXEUEZIP-HNNXBMFYSA-N 2 2 336.480 1.526 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000940850817 700951729 /nfs/dbraw/zinc/95/17/29/700951729.db2.gz NVWIKIGXOWWUMC-CABCVRRESA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000940850817 700951730 /nfs/dbraw/zinc/95/17/30/700951730.db2.gz NVWIKIGXOWWUMC-CABCVRRESA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000940851594 700952254 /nfs/dbraw/zinc/95/22/54/700952254.db2.gz ZBZHKIQXCUCRFJ-LSDHHAIUSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000940851594 700952256 /nfs/dbraw/zinc/95/22/56/700952256.db2.gz ZBZHKIQXCUCRFJ-LSDHHAIUSA-N 2 2 334.464 1.045 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002834 701036692 /nfs/dbraw/zinc/03/66/92/701036692.db2.gz NTERTBQQXLEBMK-INIZCTEOSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002834 701036694 /nfs/dbraw/zinc/03/66/94/701036694.db2.gz NTERTBQQXLEBMK-INIZCTEOSA-N 2 2 349.479 1.437 20 0 EDADLP C[C@@H](F)CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920497 701045763 /nfs/dbraw/zinc/04/57/63/701045763.db2.gz ICLTVCAJHXLWPO-RHSMWYFYSA-N 2 2 341.471 1.426 20 0 EDADLP C[C@@H](F)CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920497 701045765 /nfs/dbraw/zinc/04/57/65/701045765.db2.gz ICLTVCAJHXLWPO-RHSMWYFYSA-N 2 2 341.471 1.426 20 0 EDADLP C[C@H](F)CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920498 701045912 /nfs/dbraw/zinc/04/59/12/701045912.db2.gz ICLTVCAJHXLWPO-WMLDXEAASA-N 2 2 341.471 1.426 20 0 EDADLP C[C@H](F)CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920498 701045914 /nfs/dbraw/zinc/04/59/14/701045914.db2.gz ICLTVCAJHXLWPO-WMLDXEAASA-N 2 2 341.471 1.426 20 0 EDADLP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031919825 701052816 /nfs/dbraw/zinc/05/28/16/701052816.db2.gz JGSBFSUMXLLHPQ-SFHVURJKSA-N 2 2 346.475 1.047 20 0 EDADLP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031919825 701052817 /nfs/dbraw/zinc/05/28/17/701052817.db2.gz JGSBFSUMXLLHPQ-SFHVURJKSA-N 2 2 346.475 1.047 20 0 EDADLP CC1(C)C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061386 701108348 /nfs/dbraw/zinc/10/83/48/701108348.db2.gz MBZIPNHXDTVSLC-MRXNPFEDSA-N 2 2 327.432 1.764 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061386 701108351 /nfs/dbraw/zinc/10/83/51/701108351.db2.gz MBZIPNHXDTVSLC-MRXNPFEDSA-N 2 2 327.432 1.764 20 0 EDADLP CC1(C)C[N@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061639 701108760 /nfs/dbraw/zinc/10/87/60/701108760.db2.gz OFJNVMJAYKUAGK-KRWDZBQOSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061639 701108763 /nfs/dbraw/zinc/10/87/63/701108763.db2.gz OFJNVMJAYKUAGK-KRWDZBQOSA-N 2 2 348.491 1.986 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cc1 ZINC000945808315 701199791 /nfs/dbraw/zinc/19/97/91/701199791.db2.gz OCDARAKYFYWOIW-MAUKXSAKSA-N 2 2 342.443 1.919 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cc1 ZINC000945808315 701199793 /nfs/dbraw/zinc/19/97/93/701199793.db2.gz OCDARAKYFYWOIW-MAUKXSAKSA-N 2 2 342.443 1.919 20 0 EDADLP CO[C@H](C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1)C1CCC1 ZINC000941130136 701207692 /nfs/dbraw/zinc/20/76/92/701207692.db2.gz PJKVEOHBZPUCTE-CVEARBPZSA-N 2 2 348.491 1.984 20 0 EDADLP CO[C@H](C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1)C1CCC1 ZINC000941130136 701207694 /nfs/dbraw/zinc/20/76/94/701207694.db2.gz PJKVEOHBZPUCTE-CVEARBPZSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@@H](C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)C1 ZINC000941130397 701208043 /nfs/dbraw/zinc/20/80/43/701208043.db2.gz QYJRTKZNODBCEG-HUUCEWRRSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@@H](C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)C2)C1 ZINC000941130397 701208044 /nfs/dbraw/zinc/20/80/44/701208044.db2.gz QYJRTKZNODBCEG-HUUCEWRRSA-N 2 2 348.491 1.984 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C1CC([NH2+]CCF)C1 ZINC000999170114 706599162 /nfs/dbraw/zinc/59/91/62/706599162.db2.gz XVVOBFDXPCCGFR-UYSNPLJNSA-N 2 2 327.444 1.036 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)C1CC([NH2+]CCF)C1 ZINC000999170114 706599165 /nfs/dbraw/zinc/59/91/65/706599165.db2.gz XVVOBFDXPCCGFR-UYSNPLJNSA-N 2 2 327.444 1.036 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(C2C[NH+](CC)C2)CC1 ZINC000941413631 701528744 /nfs/dbraw/zinc/52/87/44/701528744.db2.gz APFLGCHWMBIQIX-HNNXBMFYSA-N 2 2 333.480 1.245 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)cn1 ZINC000995748254 701962391 /nfs/dbraw/zinc/96/23/91/701962391.db2.gz RLKOYNOOIWEZPM-OAHLLOKOSA-N 2 2 342.447 1.468 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)on1 ZINC000995749855 701999160 /nfs/dbraw/zinc/99/91/60/701999160.db2.gz XCJGXACIRNHDTE-ZDUSSCGKSA-N 2 2 347.419 1.366 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001032205731 702096289 /nfs/dbraw/zinc/09/62/89/702096289.db2.gz GXHFRRHRTCNDAU-INIZCTEOSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032205731 702096295 /nfs/dbraw/zinc/09/62/95/702096295.db2.gz GXHFRRHRTCNDAU-INIZCTEOSA-N 2 2 348.495 1.029 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999202021 706646417 /nfs/dbraw/zinc/64/64/17/706646417.db2.gz UQCMOVAWBHDPCD-KGLIPLIRSA-N 2 2 346.435 1.560 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097605 702263538 /nfs/dbraw/zinc/26/35/38/702263538.db2.gz IRIRFFQAFGIXLT-CXAGYDPISA-N 2 2 345.422 1.524 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097605 702263542 /nfs/dbraw/zinc/26/35/42/702263542.db2.gz IRIRFFQAFGIXLT-CXAGYDPISA-N 2 2 345.422 1.524 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)o1 ZINC000999206469 706659566 /nfs/dbraw/zinc/65/95/66/706659566.db2.gz IVFMTQBAJDBEBB-QLFBSQMISA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)o1 ZINC000999206469 706659569 /nfs/dbraw/zinc/65/95/69/706659569.db2.gz IVFMTQBAJDBEBB-QLFBSQMISA-N 2 2 349.479 1.443 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996094789 702508557 /nfs/dbraw/zinc/50/85/57/702508557.db2.gz ZHXCCIGBOBMKOY-IAGOWNOFSA-N 2 2 337.508 1.722 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996094789 702508563 /nfs/dbraw/zinc/50/85/63/702508563.db2.gz ZHXCCIGBOBMKOY-IAGOWNOFSA-N 2 2 337.508 1.722 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C(C)(C)C1 ZINC000996076822 702525219 /nfs/dbraw/zinc/52/52/19/702525219.db2.gz VGZDOJCVJMXYEF-JKSUJKDBSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996223657 702633575 /nfs/dbraw/zinc/63/35/75/702633575.db2.gz RLPSQXCIKUVRIA-WFASDCNBSA-N 2 2 349.479 1.607 20 0 EDADLP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1)[NH+](C)C ZINC000996315077 702703285 /nfs/dbraw/zinc/70/32/85/702703285.db2.gz MEFOUXUSFZKRQG-KBPBESRZSA-N 2 2 349.479 1.614 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000996353925 702732189 /nfs/dbraw/zinc/73/21/89/702732189.db2.gz FNRCAJIPCCKYRG-OAHLLOKOSA-N 2 2 331.395 1.513 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000996353924 702732285 /nfs/dbraw/zinc/73/22/85/702732285.db2.gz FNRCAJIPCCKYRG-HNNXBMFYSA-N 2 2 331.395 1.513 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)n1 ZINC000996357578 702734498 /nfs/dbraw/zinc/73/44/98/702734498.db2.gz YPLQPKCFVJNNID-ZDUSSCGKSA-N 2 2 333.461 1.744 20 0 EDADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1(C)C ZINC000996506440 702827451 /nfs/dbraw/zinc/82/74/51/702827451.db2.gz LPVGYZWFKDZWEP-XJKSGUPXSA-N 2 2 343.431 1.088 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996570804 702883189 /nfs/dbraw/zinc/88/31/89/702883189.db2.gz YJLBQCHHZVHFAM-QGZVFWFLSA-N 2 2 341.459 1.775 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1 ZINC000996564507 702885723 /nfs/dbraw/zinc/88/57/23/702885723.db2.gz ULDJKERAPQINQK-MRXNPFEDSA-N 2 2 344.463 1.063 20 0 EDADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000996580816 702892212 /nfs/dbraw/zinc/89/22/12/702892212.db2.gz SBMYBBBSXPDWIX-BFYDXBDKSA-N 2 2 346.475 1.115 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000996622998 702928420 /nfs/dbraw/zinc/92/84/20/702928420.db2.gz NJQUAHGZAYWYEA-CYBMUJFWSA-N 2 2 334.449 1.070 20 0 EDADLP Cc1csc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995248163 702946789 /nfs/dbraw/zinc/94/67/89/702946789.db2.gz KCPBCMZGPCDPTE-UONOGXRCSA-N 2 2 333.461 1.723 20 0 EDADLP CC[C@H](C(=O)N1CCC([NH2+]Cc2noc(C3CCC3)n2)CC1)[NH+](C)C ZINC000996713569 703008388 /nfs/dbraw/zinc/00/83/88/703008388.db2.gz WFDRLHWDCJDVBA-OAHLLOKOSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C[C@H]1C ZINC000942518658 703019790 /nfs/dbraw/zinc/01/97/90/703019790.db2.gz VAEBRJPKLWXDRF-CZUORRHYSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2nccc(C)n2)C[C@H]1C ZINC000942518658 703019793 /nfs/dbraw/zinc/01/97/93/703019793.db2.gz VAEBRJPKLWXDRF-CZUORRHYSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000942519056 703020878 /nfs/dbraw/zinc/02/08/78/703020878.db2.gz YSEJOSCYRCRMBD-SUMWQHHRSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000942519056 703020881 /nfs/dbraw/zinc/02/08/81/703020881.db2.gz YSEJOSCYRCRMBD-SUMWQHHRSA-N 2 2 342.447 1.317 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000942538405 703040023 /nfs/dbraw/zinc/04/00/23/703040023.db2.gz PJJRBSPUOCTVBJ-RHSMWYFYSA-N 2 2 328.416 1.305 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000942538405 703040025 /nfs/dbraw/zinc/04/00/25/703040025.db2.gz PJJRBSPUOCTVBJ-RHSMWYFYSA-N 2 2 328.416 1.305 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556299 703070851 /nfs/dbraw/zinc/07/08/51/703070851.db2.gz YXRVFJLMKANFDP-CVEARBPZSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556299 703070853 /nfs/dbraw/zinc/07/08/53/703070853.db2.gz YXRVFJLMKANFDP-CVEARBPZSA-N 2 2 345.491 1.678 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@H+](C)CCO2)cc1C ZINC001032331856 703113419 /nfs/dbraw/zinc/11/34/19/703113419.db2.gz LXHBJHUENWEVFI-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC001032331856 703113420 /nfs/dbraw/zinc/11/34/20/703113420.db2.gz LXHBJHUENWEVFI-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)cc1C ZINC001032331856 703113422 /nfs/dbraw/zinc/11/34/22/703113422.db2.gz LXHBJHUENWEVFI-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+](C)CCO2)cc1C ZINC001032331856 703113424 /nfs/dbraw/zinc/11/34/24/703113424.db2.gz LXHBJHUENWEVFI-FHWLQOOXSA-N 2 2 343.471 1.419 20 0 EDADLP CC(C)n1cc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)nn1 ZINC000996857361 703141741 /nfs/dbraw/zinc/14/17/41/703141741.db2.gz AMBYGJNYVUCGFK-UHFFFAOYSA-N 2 2 345.451 1.226 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996987858 703245533 /nfs/dbraw/zinc/24/55/33/703245533.db2.gz HLTNMZYNXIGSOC-DZGCQCFKSA-N 2 2 332.448 1.447 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997085691 703331259 /nfs/dbraw/zinc/33/12/59/703331259.db2.gz QCHJSYKKPFZPSO-GFCCVEGCSA-N 2 2 331.420 1.666 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997085691 703331261 /nfs/dbraw/zinc/33/12/61/703331261.db2.gz QCHJSYKKPFZPSO-GFCCVEGCSA-N 2 2 331.420 1.666 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]CCn2cccn2)CC1)c1c[nH+]c[nH]1 ZINC000997181656 703466606 /nfs/dbraw/zinc/46/66/06/703466606.db2.gz BXKWETLWYAZSRG-UHFFFAOYSA-N 2 2 330.436 1.165 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC2)n[nH]1 ZINC001032417143 703489673 /nfs/dbraw/zinc/48/96/73/703489673.db2.gz SGAXDQWESFHTKH-ZQIUZPCESA-N 2 2 329.448 1.485 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC2)n[nH]1 ZINC001032417143 703489674 /nfs/dbraw/zinc/48/96/74/703489674.db2.gz SGAXDQWESFHTKH-ZQIUZPCESA-N 2 2 329.448 1.485 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC2)n[nH]1 ZINC001032417143 703489675 /nfs/dbraw/zinc/48/96/75/703489675.db2.gz SGAXDQWESFHTKH-ZQIUZPCESA-N 2 2 329.448 1.485 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC2)n[nH]1 ZINC001032417143 703489676 /nfs/dbraw/zinc/48/96/76/703489676.db2.gz SGAXDQWESFHTKH-ZQIUZPCESA-N 2 2 329.448 1.485 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)c1 ZINC001032445466 703614462 /nfs/dbraw/zinc/61/44/62/703614462.db2.gz HGFYIKVHDJXPLC-LNLFQRSKSA-N 2 2 343.471 1.821 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)c1 ZINC001032445466 703614464 /nfs/dbraw/zinc/61/44/64/703614464.db2.gz HGFYIKVHDJXPLC-LNLFQRSKSA-N 2 2 343.471 1.821 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001032444851 703622500 /nfs/dbraw/zinc/62/25/00/703622500.db2.gz PHLWECSINJJPMP-OFQRWUPVSA-N 2 2 334.489 1.577 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001032444851 703622501 /nfs/dbraw/zinc/62/25/01/703622501.db2.gz PHLWECSINJJPMP-OFQRWUPVSA-N 2 2 334.489 1.577 20 0 EDADLP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000997516554 703765769 /nfs/dbraw/zinc/76/57/69/703765769.db2.gz SEILALGQOIFNAN-DOTOQJQBSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)nc1 ZINC000997516554 703765771 /nfs/dbraw/zinc/76/57/71/703765771.db2.gz SEILALGQOIFNAN-DOTOQJQBSA-N 2 2 345.491 1.596 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C)on2)CC1 ZINC001004201120 703928242 /nfs/dbraw/zinc/92/82/42/703928242.db2.gz JMXQNENWCSOJKX-QGZVFWFLSA-N 2 2 334.464 1.938 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C)on2)CC1 ZINC001004201120 703928243 /nfs/dbraw/zinc/92/82/43/703928243.db2.gz JMXQNENWCSOJKX-QGZVFWFLSA-N 2 2 334.464 1.938 20 0 EDADLP CN(C)c1cccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001004255958 704082488 /nfs/dbraw/zinc/08/24/88/704082488.db2.gz BHAYHBKFTIMWAX-UHFFFAOYSA-N 2 2 341.459 1.730 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)oc1C ZINC001033092558 704168780 /nfs/dbraw/zinc/16/87/80/704168780.db2.gz BHLMMRVWVGFGNF-FVQBIDKESA-N 2 2 334.464 1.664 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)oc1C ZINC001033092558 704168783 /nfs/dbraw/zinc/16/87/83/704168783.db2.gz BHLMMRVWVGFGNF-FVQBIDKESA-N 2 2 334.464 1.664 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)oc1C ZINC001033092558 704168784 /nfs/dbraw/zinc/16/87/84/704168784.db2.gz BHLMMRVWVGFGNF-FVQBIDKESA-N 2 2 334.464 1.664 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)oc1C ZINC001033092558 704168786 /nfs/dbraw/zinc/16/87/86/704168786.db2.gz BHLMMRVWVGFGNF-FVQBIDKESA-N 2 2 334.464 1.664 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096444 704184094 /nfs/dbraw/zinc/18/40/94/704184094.db2.gz LDJFXACVBKPBJZ-HOCLYGCPSA-N 2 2 334.464 1.330 20 0 EDADLP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096444 704184095 /nfs/dbraw/zinc/18/40/95/704184095.db2.gz LDJFXACVBKPBJZ-HOCLYGCPSA-N 2 2 334.464 1.330 20 0 EDADLP CCO[C@H](C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C[NH+](C)C ZINC000922756658 704316610 /nfs/dbraw/zinc/31/66/10/704316610.db2.gz RLQYQVOOMFFOCK-GOSISDBHSA-N 2 2 333.476 1.979 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997732125 704623535 /nfs/dbraw/zinc/62/35/35/704623535.db2.gz BXEXNMSEBLMVKW-INIZCTEOSA-N 2 2 334.464 1.740 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC000944963535 704830069 /nfs/dbraw/zinc/83/00/69/704830069.db2.gz BOQSKCUVQGSCAM-DOMZBBRYSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC000944963535 704830073 /nfs/dbraw/zinc/83/00/73/704830073.db2.gz BOQSKCUVQGSCAM-DOMZBBRYSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)s1 ZINC000944965432 704835953 /nfs/dbraw/zinc/83/59/53/704835953.db2.gz SOPRLXVEABHJNK-DOMZBBRYSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)s1 ZINC000944965432 704835958 /nfs/dbraw/zinc/83/59/58/704835958.db2.gz SOPRLXVEABHJNK-DOMZBBRYSA-N 2 2 347.488 1.983 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC(F)(F)F)C1 ZINC001032587657 705119733 /nfs/dbraw/zinc/11/97/33/705119733.db2.gz ORKPYDREFXOROC-IHRRRGAJSA-N 2 2 349.397 1.333 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC(F)(F)F)C1 ZINC001032587657 705119735 /nfs/dbraw/zinc/11/97/35/705119735.db2.gz ORKPYDREFXOROC-IHRRRGAJSA-N 2 2 349.397 1.333 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(F)(F)F)C1 ZINC001032587657 705119737 /nfs/dbraw/zinc/11/97/37/705119737.db2.gz ORKPYDREFXOROC-IHRRRGAJSA-N 2 2 349.397 1.333 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(F)(F)F)C1 ZINC001032587657 705119739 /nfs/dbraw/zinc/11/97/39/705119739.db2.gz ORKPYDREFXOROC-IHRRRGAJSA-N 2 2 349.397 1.333 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998042803 705237642 /nfs/dbraw/zinc/23/76/42/705237642.db2.gz AOJMZWLSPRDZAW-IAGOWNOFSA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998042803 705237645 /nfs/dbraw/zinc/23/76/45/705237645.db2.gz AOJMZWLSPRDZAW-IAGOWNOFSA-N 2 2 348.491 1.795 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)sn1 ZINC000998118109 705367263 /nfs/dbraw/zinc/36/72/63/705367263.db2.gz DFKCYSSRRWQETF-UHFFFAOYSA-N 2 2 333.461 1.746 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000998139979 705406734 /nfs/dbraw/zinc/40/67/34/705406734.db2.gz XSDPMMFPHGNEKD-ZDUSSCGKSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000998139979 705406738 /nfs/dbraw/zinc/40/67/38/705406738.db2.gz XSDPMMFPHGNEKD-ZDUSSCGKSA-N 2 2 345.447 1.913 20 0 EDADLP COc1cccc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000998184124 705483876 /nfs/dbraw/zinc/48/38/76/705483876.db2.gz SPWXBFOLVUKHRO-UHFFFAOYSA-N 2 2 343.431 1.384 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC000998273650 705653800 /nfs/dbraw/zinc/65/38/00/705653800.db2.gz BYSNDXVKICOYRS-RYUDHWBXSA-N 2 2 336.333 1.612 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC000998278575 705666136 /nfs/dbraw/zinc/66/61/36/705666136.db2.gz HTKGCRHEEQPULJ-NEPJUHHUSA-N 2 2 336.333 1.530 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(F)cc2)C1 ZINC001032628343 705744919 /nfs/dbraw/zinc/74/49/19/705744919.db2.gz WQLVSQXEKOGLSY-WBAXXEDZSA-N 2 2 331.435 1.953 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(F)cc2)C1 ZINC001032628343 705744922 /nfs/dbraw/zinc/74/49/22/705744922.db2.gz WQLVSQXEKOGLSY-WBAXXEDZSA-N 2 2 331.435 1.953 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(F)cc2)C1 ZINC001032628343 705744926 /nfs/dbraw/zinc/74/49/26/705744926.db2.gz WQLVSQXEKOGLSY-WBAXXEDZSA-N 2 2 331.435 1.953 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(F)cc2)C1 ZINC001032628343 705744929 /nfs/dbraw/zinc/74/49/29/705744929.db2.gz WQLVSQXEKOGLSY-WBAXXEDZSA-N 2 2 331.435 1.953 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nnsc2Cl)C1 ZINC000998550640 705987145 /nfs/dbraw/zinc/98/71/45/705987145.db2.gz NWCAJIXXPJVAAU-CBINBANVSA-N 2 2 343.884 1.365 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000998720679 706147904 /nfs/dbraw/zinc/14/79/04/706147904.db2.gz KAHHBBZRPZCMID-KBPBESRZSA-N 2 2 335.452 1.197 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000998720679 706147905 /nfs/dbraw/zinc/14/79/05/706147905.db2.gz KAHHBBZRPZCMID-KBPBESRZSA-N 2 2 335.452 1.197 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000998988940 706421174 /nfs/dbraw/zinc/42/11/74/706421174.db2.gz OVBVTRPTAGZGPZ-UHFFFAOYSA-N 2 2 339.403 1.084 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998989540 706421562 /nfs/dbraw/zinc/42/15/62/706421562.db2.gz SFTLMEVQHFENSP-UHFFFAOYSA-N 2 2 338.415 1.689 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999007751 706427583 /nfs/dbraw/zinc/42/75/83/706427583.db2.gz QVAUQGZKKCNREC-GTPINHCMSA-N 2 2 346.475 1.451 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999143667 706557232 /nfs/dbraw/zinc/55/72/32/706557232.db2.gz HSBKLPRXDTWWNH-HIFRSBDPSA-N 2 2 337.493 1.492 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999143667 706557233 /nfs/dbraw/zinc/55/72/33/706557233.db2.gz HSBKLPRXDTWWNH-HIFRSBDPSA-N 2 2 337.493 1.492 20 0 EDADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001032713219 706842813 /nfs/dbraw/zinc/84/28/13/706842813.db2.gz VWUJKWSHWWKGOX-HOTGVXAUSA-N 2 2 325.416 1.966 20 0 EDADLP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001032713219 706842814 /nfs/dbraw/zinc/84/28/14/706842814.db2.gz VWUJKWSHWWKGOX-HOTGVXAUSA-N 2 2 325.416 1.966 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)[nH]1 ZINC000999348786 706860906 /nfs/dbraw/zinc/86/09/06/706860906.db2.gz PWYHBLULUUYGFK-JSGCOSHPSA-N 2 2 334.468 1.239 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1)C1CC1 ZINC000999369782 706883369 /nfs/dbraw/zinc/88/33/69/706883369.db2.gz KKZNSEDNGUVIOW-HOCLYGCPSA-N 2 2 347.463 1.368 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999426242 706933333 /nfs/dbraw/zinc/93/33/33/706933333.db2.gz OCEYEPQJXRKFIG-BCAXMMLOSA-N 2 2 342.447 1.036 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999515113 707014213 /nfs/dbraw/zinc/01/42/13/707014213.db2.gz XGPIWFIZMXYCMC-GJZGRUSLSA-N 2 2 349.479 1.587 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999515113 707014214 /nfs/dbraw/zinc/01/42/14/707014214.db2.gz XGPIWFIZMXYCMC-GJZGRUSLSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001033266032 707290954 /nfs/dbraw/zinc/29/09/54/707290954.db2.gz MKWUUDVSYYZDLA-LSDHHAIUSA-N 2 2 331.420 1.782 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001033266032 707290956 /nfs/dbraw/zinc/29/09/56/707290956.db2.gz MKWUUDVSYYZDLA-LSDHHAIUSA-N 2 2 331.420 1.782 20 0 EDADLP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001033266030 707291308 /nfs/dbraw/zinc/29/13/08/707291308.db2.gz MKWUUDVSYYZDLA-HUUCEWRRSA-N 2 2 331.420 1.782 20 0 EDADLP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001033266030 707291312 /nfs/dbraw/zinc/29/13/12/707291312.db2.gz MKWUUDVSYYZDLA-HUUCEWRRSA-N 2 2 331.420 1.782 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]CCc2ccns2)C1 ZINC000999753400 707355241 /nfs/dbraw/zinc/35/52/41/707355241.db2.gz LVIMKGJYQYNBJL-UHFFFAOYSA-N 2 2 333.461 1.539 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC001033296494 707405817 /nfs/dbraw/zinc/40/58/17/707405817.db2.gz VQRMIWCLTSQQGR-SJLPKXTDSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC001033296494 707405824 /nfs/dbraw/zinc/40/58/24/707405824.db2.gz VQRMIWCLTSQQGR-SJLPKXTDSA-N 2 2 346.475 1.890 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2CC1 ZINC000946797842 707425228 /nfs/dbraw/zinc/42/52/28/707425228.db2.gz LHWTVFLSVYJCFZ-ZACQAIPSSA-N 2 2 346.475 1.549 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2CC1 ZINC000946797842 707425232 /nfs/dbraw/zinc/42/52/32/707425232.db2.gz LHWTVFLSVYJCFZ-ZACQAIPSSA-N 2 2 346.475 1.549 20 0 EDADLP CCCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)no1 ZINC000999828036 707456437 /nfs/dbraw/zinc/45/64/37/707456437.db2.gz AWMDTAHLWGJQIS-WLYUNCDWSA-N 2 2 349.479 1.443 20 0 EDADLP CCCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)no1 ZINC000999828036 707456439 /nfs/dbraw/zinc/45/64/39/707456439.db2.gz AWMDTAHLWGJQIS-WLYUNCDWSA-N 2 2 349.479 1.443 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000999837192 707473637 /nfs/dbraw/zinc/47/36/37/707473637.db2.gz QKWPGXVCPXZQPM-IAGOWNOFSA-N 2 2 334.464 1.813 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC001033319731 707499054 /nfs/dbraw/zinc/49/90/54/707499054.db2.gz RWGVIQDRWZBGSQ-QGZVFWFLSA-N 2 2 345.491 1.692 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC001033319731 707499058 /nfs/dbraw/zinc/49/90/58/707499058.db2.gz RWGVIQDRWZBGSQ-QGZVFWFLSA-N 2 2 345.491 1.692 20 0 EDADLP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004918158 707621466 /nfs/dbraw/zinc/62/14/66/707621466.db2.gz IYJGLTINQVRGGO-NVXWUHKLSA-N 2 2 344.463 1.566 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000999995263 707673723 /nfs/dbraw/zinc/67/37/23/707673723.db2.gz XRHZCFLWRFOJOJ-AEFFLSMTSA-N 2 2 335.492 1.620 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000999995263 707673728 /nfs/dbraw/zinc/67/37/28/707673728.db2.gz XRHZCFLWRFOJOJ-AEFFLSMTSA-N 2 2 335.492 1.620 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998111 707680350 /nfs/dbraw/zinc/68/03/50/707680350.db2.gz QVUYXNQEUZUOSF-RBSFLKMASA-N 2 2 343.435 1.076 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nn2)C1 ZINC000999998111 707680354 /nfs/dbraw/zinc/68/03/54/707680354.db2.gz QVUYXNQEUZUOSF-RBSFLKMASA-N 2 2 343.435 1.076 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998111 707680358 /nfs/dbraw/zinc/68/03/58/707680358.db2.gz QVUYXNQEUZUOSF-RBSFLKMASA-N 2 2 343.435 1.076 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nn2)C1 ZINC000999998111 707680361 /nfs/dbraw/zinc/68/03/61/707680361.db2.gz QVUYXNQEUZUOSF-RBSFLKMASA-N 2 2 343.435 1.076 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](C/C=C/Cl)C2)C1 ZINC001033359300 707685435 /nfs/dbraw/zinc/68/54/35/707685435.db2.gz WOMFSNSACKHUNZ-PGXISHIXSA-N 2 2 329.872 1.381 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](C/C=C/Cl)C2)C1 ZINC001033359300 707685440 /nfs/dbraw/zinc/68/54/40/707685440.db2.gz WOMFSNSACKHUNZ-PGXISHIXSA-N 2 2 329.872 1.381 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](C/C=C/Cl)C2)C1 ZINC001033359300 707685442 /nfs/dbraw/zinc/68/54/42/707685442.db2.gz WOMFSNSACKHUNZ-PGXISHIXSA-N 2 2 329.872 1.381 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C/C=C/Cl)C2)C1 ZINC001033359300 707685447 /nfs/dbraw/zinc/68/54/47/707685447.db2.gz WOMFSNSACKHUNZ-PGXISHIXSA-N 2 2 329.872 1.381 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033211257 707691612 /nfs/dbraw/zinc/69/16/12/707691612.db2.gz INQAOGXOPBAONB-DLBZAZTESA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033211257 707691617 /nfs/dbraw/zinc/69/16/17/707691617.db2.gz INQAOGXOPBAONB-DLBZAZTESA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004946044 707717158 /nfs/dbraw/zinc/71/71/58/707717158.db2.gz KLWIOGVMNGJSOZ-CJNGLKHVSA-N 2 2 330.436 1.245 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004948082 707721680 /nfs/dbraw/zinc/72/16/80/707721680.db2.gz RTTHRHRZAGHULZ-HOCLYGCPSA-N 2 2 344.463 1.728 20 0 EDADLP CCc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730517 707738596 /nfs/dbraw/zinc/73/85/96/707738596.db2.gz HWPZFLUEPIZYJP-BPUTZDHNSA-N 2 2 332.448 1.364 20 0 EDADLP CCc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730517 707738600 /nfs/dbraw/zinc/73/86/00/707738600.db2.gz HWPZFLUEPIZYJP-BPUTZDHNSA-N 2 2 332.448 1.364 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032730517 707738604 /nfs/dbraw/zinc/73/86/04/707738604.db2.gz HWPZFLUEPIZYJP-BPUTZDHNSA-N 2 2 332.448 1.364 20 0 EDADLP CCc1nocc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032730517 707738609 /nfs/dbraw/zinc/73/86/09/707738609.db2.gz HWPZFLUEPIZYJP-BPUTZDHNSA-N 2 2 332.448 1.364 20 0 EDADLP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032734133 707743586 /nfs/dbraw/zinc/74/35/86/707743586.db2.gz YFSQGYREACVQFM-HOTGVXAUSA-N 2 2 326.444 1.271 20 0 EDADLP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032734133 707743590 /nfs/dbraw/zinc/74/35/90/707743590.db2.gz YFSQGYREACVQFM-HOTGVXAUSA-N 2 2 326.444 1.271 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)on1 ZINC001000159736 707786427 /nfs/dbraw/zinc/78/64/27/707786427.db2.gz NNLPGFUYRAXMKX-UKRRQHHQSA-N 2 2 343.431 1.907 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)nn1 ZINC001033416166 707794805 /nfs/dbraw/zinc/79/48/05/707794805.db2.gz OIOVPTCOVAORIV-HOCLYGCPSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)nn1 ZINC001033416166 707794807 /nfs/dbraw/zinc/79/48/07/707794807.db2.gz OIOVPTCOVAORIV-HOCLYGCPSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001033416166 707794809 /nfs/dbraw/zinc/79/48/09/707794809.db2.gz OIOVPTCOVAORIV-HOCLYGCPSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001033416166 707794810 /nfs/dbraw/zinc/79/48/10/707794810.db2.gz OIOVPTCOVAORIV-HOCLYGCPSA-N 2 2 347.463 1.002 20 0 EDADLP Cc1oncc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984321 707831398 /nfs/dbraw/zinc/83/13/98/707831398.db2.gz VUKYCLFPBARRIU-CXAGYDPISA-N 2 2 345.447 1.818 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033226708 707837782 /nfs/dbraw/zinc/83/77/82/707837782.db2.gz VBJQYJJXVAGCSF-AWEZNQCLSA-N 2 2 334.489 1.804 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033226708 707837785 /nfs/dbraw/zinc/83/77/85/707837785.db2.gz VBJQYJJXVAGCSF-AWEZNQCLSA-N 2 2 334.489 1.804 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033452411 707895651 /nfs/dbraw/zinc/89/56/51/707895651.db2.gz KKEJNQNHPIJFOA-IRXDYDNUSA-N 2 2 334.464 1.426 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033452411 707895653 /nfs/dbraw/zinc/89/56/53/707895653.db2.gz KKEJNQNHPIJFOA-IRXDYDNUSA-N 2 2 334.464 1.426 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc[nH+]1 ZINC001060926927 707931528 /nfs/dbraw/zinc/93/15/28/707931528.db2.gz GBTLUUPBGPGJHE-GDBMZVCRSA-N 2 2 329.448 1.387 20 0 EDADLP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032782013 707971937 /nfs/dbraw/zinc/97/19/37/707971937.db2.gz QHIHDOVVXQOYPW-PMPSAXMXSA-N 2 2 346.475 1.843 20 0 EDADLP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032782013 707971940 /nfs/dbraw/zinc/97/19/40/707971940.db2.gz QHIHDOVVXQOYPW-PMPSAXMXSA-N 2 2 346.475 1.843 20 0 EDADLP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032782013 707971943 /nfs/dbraw/zinc/97/19/43/707971943.db2.gz QHIHDOVVXQOYPW-PMPSAXMXSA-N 2 2 346.475 1.843 20 0 EDADLP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032782013 707971945 /nfs/dbraw/zinc/97/19/45/707971945.db2.gz QHIHDOVVXQOYPW-PMPSAXMXSA-N 2 2 346.475 1.843 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccccc1F ZINC001032782959 707972938 /nfs/dbraw/zinc/97/29/38/707972938.db2.gz PCMCVALSMBDDBC-HOTGVXAUSA-N 2 2 347.434 1.585 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1F ZINC001032782959 707972939 /nfs/dbraw/zinc/97/29/39/707972939.db2.gz PCMCVALSMBDDBC-HOTGVXAUSA-N 2 2 347.434 1.585 20 0 EDADLP CCc1nc(NC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)cc(C)[nH+]1 ZINC001060946476 708018461 /nfs/dbraw/zinc/01/84/61/708018461.db2.gz UGPYCLHFYJFBPE-OAHLLOKOSA-N 2 2 342.447 1.813 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001000712738 708063137 /nfs/dbraw/zinc/06/31/37/708063137.db2.gz FKDBQCGJMTUIAI-GFCCVEGCSA-N 2 2 346.460 1.394 20 0 EDADLP O=C(C[NH+]1CCc2sccc2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032798101 708071886 /nfs/dbraw/zinc/07/18/86/708071886.db2.gz QINLOBHFZXZBSM-GJZGRUSLSA-N 2 2 337.464 1.751 20 0 EDADLP O=C(C[NH+]1CCc2sccc2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032798101 708071887 /nfs/dbraw/zinc/07/18/87/708071887.db2.gz QINLOBHFZXZBSM-GJZGRUSLSA-N 2 2 337.464 1.751 20 0 EDADLP O=C(C[N@@H+]1CCc2sccc2C1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032798101 708071889 /nfs/dbraw/zinc/07/18/89/708071889.db2.gz QINLOBHFZXZBSM-GJZGRUSLSA-N 2 2 337.464 1.751 20 0 EDADLP O=C(C[N@H+]1CCc2sccc2C1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032798101 708071891 /nfs/dbraw/zinc/07/18/91/708071891.db2.gz QINLOBHFZXZBSM-GJZGRUSLSA-N 2 2 337.464 1.751 20 0 EDADLP Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001056347 708086865 /nfs/dbraw/zinc/08/68/65/708086865.db2.gz QECBGNYWVDEGSF-GFCCVEGCSA-N 2 2 336.827 1.051 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)cc[nH+]1 ZINC001061018769 708210294 /nfs/dbraw/zinc/21/02/94/708210294.db2.gz MNPRBEYCLWFBLX-HOTGVXAUSA-N 2 2 331.464 1.920 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001061018769 708210297 /nfs/dbraw/zinc/21/02/97/708210297.db2.gz MNPRBEYCLWFBLX-HOTGVXAUSA-N 2 2 331.464 1.920 20 0 EDADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033556147 708223302 /nfs/dbraw/zinc/22/33/02/708223302.db2.gz YRPJTUGMSNLXTA-OAHLLOKOSA-N 2 2 331.395 1.773 20 0 EDADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033556147 708223305 /nfs/dbraw/zinc/22/33/05/708223305.db2.gz YRPJTUGMSNLXTA-OAHLLOKOSA-N 2 2 331.395 1.773 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC001005209009 708234604 /nfs/dbraw/zinc/23/46/04/708234604.db2.gz JGDZYRKAQNLGTE-GOSISDBHSA-N 2 2 349.450 1.579 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC001005209009 708234607 /nfs/dbraw/zinc/23/46/07/708234607.db2.gz JGDZYRKAQNLGTE-GOSISDBHSA-N 2 2 349.450 1.579 20 0 EDADLP Cc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005210512 708236892 /nfs/dbraw/zinc/23/68/92/708236892.db2.gz UCAWOXJBOHZKMW-GOSISDBHSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005210512 708236894 /nfs/dbraw/zinc/23/68/94/708236894.db2.gz UCAWOXJBOHZKMW-GOSISDBHSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033595433 708299187 /nfs/dbraw/zinc/29/91/87/708299187.db2.gz SSNSRBPYYRDZAG-OAHLLOKOSA-N 2 2 327.432 1.399 20 0 EDADLP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033595433 708299190 /nfs/dbraw/zinc/29/91/90/708299190.db2.gz SSNSRBPYYRDZAG-OAHLLOKOSA-N 2 2 327.432 1.399 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001033656507 708425605 /nfs/dbraw/zinc/42/56/05/708425605.db2.gz BGOCZFNYEKAIGZ-HNNXBMFYSA-N 2 2 336.867 1.864 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001033656507 708425607 /nfs/dbraw/zinc/42/56/07/708425607.db2.gz BGOCZFNYEKAIGZ-HNNXBMFYSA-N 2 2 336.867 1.864 20 0 EDADLP Cc1ccccc1OCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703777 708532780 /nfs/dbraw/zinc/53/27/80/708532780.db2.gz HPGGWFCHHYIRRA-QGZVFWFLSA-N 2 2 342.443 1.803 20 0 EDADLP Cc1ccccc1OCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703777 708532782 /nfs/dbraw/zinc/53/27/82/708532782.db2.gz HPGGWFCHHYIRRA-QGZVFWFLSA-N 2 2 342.443 1.803 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)s1 ZINC001033705117 708534280 /nfs/dbraw/zinc/53/42/80/708534280.db2.gz DYYOAMNUVGWOFV-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)s1 ZINC001033705117 708534283 /nfs/dbraw/zinc/53/42/83/708534283.db2.gz DYYOAMNUVGWOFV-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033774858 708674182 /nfs/dbraw/zinc/67/41/82/708674182.db2.gz KEMFRIYSAZUHOM-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033774858 708674183 /nfs/dbraw/zinc/67/41/83/708674183.db2.gz KEMFRIYSAZUHOM-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033774858 708674184 /nfs/dbraw/zinc/67/41/84/708674184.db2.gz KEMFRIYSAZUHOM-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033774858 708674185 /nfs/dbraw/zinc/67/41/85/708674185.db2.gz KEMFRIYSAZUHOM-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001033786889 708696275 /nfs/dbraw/zinc/69/62/75/708696275.db2.gz AWMKITAUXCEOIR-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033786889 708696276 /nfs/dbraw/zinc/69/62/76/708696276.db2.gz AWMKITAUXCEOIR-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033786889 708696278 /nfs/dbraw/zinc/69/62/78/708696278.db2.gz AWMKITAUXCEOIR-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2cncc(C)c2)C1 ZINC001033786889 708696280 /nfs/dbraw/zinc/69/62/80/708696280.db2.gz AWMKITAUXCEOIR-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001033788397 708698481 /nfs/dbraw/zinc/69/84/81/708698481.db2.gz GLWMFVATYUGPLD-ZWKOTPCHSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001033788397 708698483 /nfs/dbraw/zinc/69/84/83/708698483.db2.gz GLWMFVATYUGPLD-ZWKOTPCHSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001033788397 708698485 /nfs/dbraw/zinc/69/84/85/708698485.db2.gz GLWMFVATYUGPLD-ZWKOTPCHSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001033788397 708698487 /nfs/dbraw/zinc/69/84/87/708698487.db2.gz GLWMFVATYUGPLD-ZWKOTPCHSA-N 2 2 349.450 1.579 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033777091 708704278 /nfs/dbraw/zinc/70/42/78/708704278.db2.gz TZFVPFQSNNBCQN-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033777091 708704281 /nfs/dbraw/zinc/70/42/81/708704281.db2.gz TZFVPFQSNNBCQN-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033777091 708704282 /nfs/dbraw/zinc/70/42/82/708704282.db2.gz TZFVPFQSNNBCQN-IAGOWNOFSA-N 2 2 331.464 1.302 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001005382904 708817018 /nfs/dbraw/zinc/81/70/18/708817018.db2.gz CTUNXPMHOPUXDS-QGZVFWFLSA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccon2)CC1 ZINC001005382904 708817020 /nfs/dbraw/zinc/81/70/20/708817020.db2.gz CTUNXPMHOPUXDS-QGZVFWFLSA-N 2 2 334.464 1.970 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033829989 708851176 /nfs/dbraw/zinc/85/11/76/708851176.db2.gz DVQYENIMIJZRLO-DLBZAZTESA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033829989 708851179 /nfs/dbraw/zinc/85/11/79/708851179.db2.gz DVQYENIMIJZRLO-DLBZAZTESA-N 2 2 346.475 1.748 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005475756 709112524 /nfs/dbraw/zinc/11/25/24/709112524.db2.gz KONBEDBEKHHQPW-QGZVFWFLSA-N 2 2 347.507 1.717 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2nccn2C)CC1 ZINC001005475756 709112528 /nfs/dbraw/zinc/11/25/28/709112528.db2.gz KONBEDBEKHHQPW-QGZVFWFLSA-N 2 2 347.507 1.717 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001034012296 709225499 /nfs/dbraw/zinc/22/54/99/709225499.db2.gz FBXGAKHDZJHYSD-INIZCTEOSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001034012296 709225503 /nfs/dbraw/zinc/22/55/03/709225503.db2.gz FBXGAKHDZJHYSD-INIZCTEOSA-N 2 2 332.448 1.502 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000921972960 709327673 /nfs/dbraw/zinc/32/76/73/709327673.db2.gz CXFWTQIUWLOPOX-QGZVFWFLSA-N 2 2 325.416 1.875 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000921972960 709327674 /nfs/dbraw/zinc/32/76/74/709327674.db2.gz CXFWTQIUWLOPOX-QGZVFWFLSA-N 2 2 325.416 1.875 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC001002791986 709399906 /nfs/dbraw/zinc/39/99/06/709399906.db2.gz LKLHFXCBHJBNHJ-CZUORRHYSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC001002791986 709399909 /nfs/dbraw/zinc/39/99/09/709399909.db2.gz LKLHFXCBHJBNHJ-CZUORRHYSA-N 2 2 349.479 1.892 20 0 EDADLP Cc1cccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148302 709419566 /nfs/dbraw/zinc/41/95/66/709419566.db2.gz HMUCONBUFYPSAR-SJLPKXTDSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148302 709419567 /nfs/dbraw/zinc/41/95/67/709419567.db2.gz HMUCONBUFYPSAR-SJLPKXTDSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148302 709419568 /nfs/dbraw/zinc/41/95/68/709419568.db2.gz HMUCONBUFYPSAR-SJLPKXTDSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148302 709419569 /nfs/dbraw/zinc/41/95/69/709419569.db2.gz HMUCONBUFYPSAR-SJLPKXTDSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148300 709419766 /nfs/dbraw/zinc/41/97/66/709419766.db2.gz HMUCONBUFYPSAR-AEFFLSMTSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148300 709419768 /nfs/dbraw/zinc/41/97/68/709419768.db2.gz HMUCONBUFYPSAR-AEFFLSMTSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148300 709419771 /nfs/dbraw/zinc/41/97/71/709419771.db2.gz HMUCONBUFYPSAR-AEFFLSMTSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148300 709419772 /nfs/dbraw/zinc/41/97/72/709419772.db2.gz HMUCONBUFYPSAR-AEFFLSMTSA-N 2 2 346.475 1.191 20 0 EDADLP COCC[N@@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034220291 709578222 /nfs/dbraw/zinc/57/82/22/709578222.db2.gz XEWFPEPWGHORMR-HNNXBMFYSA-N 2 2 334.464 1.379 20 0 EDADLP COCC[N@H+]1CCCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034220291 709578224 /nfs/dbraw/zinc/57/82/24/709578224.db2.gz XEWFPEPWGHORMR-HNNXBMFYSA-N 2 2 334.464 1.379 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2cncs2)C1 ZINC001034308613 709749462 /nfs/dbraw/zinc/74/94/62/709749462.db2.gz DLQABRRCPISXPT-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cncs2)C1 ZINC001034308613 709749466 /nfs/dbraw/zinc/74/94/66/709749466.db2.gz DLQABRRCPISXPT-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001034396737 709935890 /nfs/dbraw/zinc/93/58/90/709935890.db2.gz HFXAVTYZZYOMNL-NVXWUHKLSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001034396737 709935892 /nfs/dbraw/zinc/93/58/92/709935892.db2.gz HFXAVTYZZYOMNL-NVXWUHKLSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001034396737 709935894 /nfs/dbraw/zinc/93/58/94/709935894.db2.gz HFXAVTYZZYOMNL-NVXWUHKLSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001034396737 709935895 /nfs/dbraw/zinc/93/58/95/709935895.db2.gz HFXAVTYZZYOMNL-NVXWUHKLSA-N 2 2 345.491 1.598 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001003189100 710106023 /nfs/dbraw/zinc/10/60/23/710106023.db2.gz DNKGOJGURRRBEL-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034489772 710107800 /nfs/dbraw/zinc/10/78/00/710107800.db2.gz DLMQQGQGXYZHQG-GJZGRUSLSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001034489772 710107804 /nfs/dbraw/zinc/10/78/04/710107804.db2.gz DLMQQGQGXYZHQG-GJZGRUSLSA-N 2 2 343.431 1.232 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491868 710113321 /nfs/dbraw/zinc/11/33/21/710113321.db2.gz ZISHXJZFOIBRCP-SJORKVTESA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491868 710113323 /nfs/dbraw/zinc/11/33/23/710113323.db2.gz ZISHXJZFOIBRCP-SJORKVTESA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccnc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034491868 710113325 /nfs/dbraw/zinc/11/33/25/710113325.db2.gz ZISHXJZFOIBRCP-SJORKVTESA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccnc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034491868 710113329 /nfs/dbraw/zinc/11/33/29/710113329.db2.gz ZISHXJZFOIBRCP-SJORKVTESA-N 2 2 347.507 1.716 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034483757 710127687 /nfs/dbraw/zinc/12/76/87/710127687.db2.gz FNTKNLDVTJKWPJ-NVXWUHKLSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034483757 710127690 /nfs/dbraw/zinc/12/76/90/710127690.db2.gz FNTKNLDVTJKWPJ-NVXWUHKLSA-N 2 2 348.491 1.748 20 0 EDADLP C[C@H](c1ncccn1)[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034489375 710139150 /nfs/dbraw/zinc/13/91/50/710139150.db2.gz BSUFYVWACFBYBW-HZPDHXFCSA-N 2 2 343.475 1.604 20 0 EDADLP C[C@H](c1ncccn1)[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034489375 710139151 /nfs/dbraw/zinc/13/91/51/710139151.db2.gz BSUFYVWACFBYBW-HZPDHXFCSA-N 2 2 343.475 1.604 20 0 EDADLP COc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034528478 710182208 /nfs/dbraw/zinc/18/22/08/710182208.db2.gz NLNHSUYARHGPII-MRXNPFEDSA-N 2 2 346.475 1.657 20 0 EDADLP COc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034528478 710182209 /nfs/dbraw/zinc/18/22/09/710182209.db2.gz NLNHSUYARHGPII-MRXNPFEDSA-N 2 2 346.475 1.657 20 0 EDADLP COc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034528533 710182428 /nfs/dbraw/zinc/18/24/28/710182428.db2.gz OTLMSLKWEQNGNW-KRWDZBQOSA-N 2 2 346.475 1.657 20 0 EDADLP COc1ccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034528533 710182430 /nfs/dbraw/zinc/18/24/30/710182430.db2.gz OTLMSLKWEQNGNW-KRWDZBQOSA-N 2 2 346.475 1.657 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)c1ccc2c[nH+]cn2c1 ZINC001003309904 710239076 /nfs/dbraw/zinc/23/90/76/710239076.db2.gz GXCANXLQOWADRG-UHFFFAOYSA-N 2 2 325.372 1.717 20 0 EDADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001034650556 710326501 /nfs/dbraw/zinc/32/65/01/710326501.db2.gz KANGVOMOXRCZIY-KKUMJFAQSA-N 2 2 334.464 1.160 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003625152 710454121 /nfs/dbraw/zinc/45/41/21/710454121.db2.gz BSBMZUZVPRLGJA-CQSZACIVSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003625152 710454122 /nfs/dbraw/zinc/45/41/22/710454122.db2.gz BSBMZUZVPRLGJA-CQSZACIVSA-N 2 2 334.464 1.659 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003627886 710457724 /nfs/dbraw/zinc/45/77/24/710457724.db2.gz JCEUIMIGQBFJPN-UHFFFAOYSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003627886 710457725 /nfs/dbraw/zinc/45/77/25/710457725.db2.gz JCEUIMIGQBFJPN-UHFFFAOYSA-N 2 2 333.480 1.233 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003628402 710458170 /nfs/dbraw/zinc/45/81/70/710458170.db2.gz OWMDUVCSKUOEKK-AWEZNQCLSA-N 2 2 348.495 1.171 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003628402 710458172 /nfs/dbraw/zinc/45/81/72/710458172.db2.gz OWMDUVCSKUOEKK-AWEZNQCLSA-N 2 2 348.495 1.171 20 0 EDADLP C[NH+]1CCC(CC(=O)NC2CC[NH+](Cc3cnns3)CC2)CC1 ZINC001003739370 710519950 /nfs/dbraw/zinc/51/99/50/710519950.db2.gz CBOUHJCWTNVPHE-UHFFFAOYSA-N 2 2 337.493 1.351 20 0 EDADLP CCn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001034763235 711034457 /nfs/dbraw/zinc/03/44/57/711034457.db2.gz HPDMRDKZKWXGJN-WKILWMFISA-N 2 2 344.463 1.428 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC001032971884 711035630 /nfs/dbraw/zinc/03/56/30/711035630.db2.gz ANONKNMHXOHIOB-QZTJIDSGSA-N 2 2 349.450 1.519 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC001032971884 711035631 /nfs/dbraw/zinc/03/56/31/711035631.db2.gz ANONKNMHXOHIOB-QZTJIDSGSA-N 2 2 349.450 1.519 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC001032971884 711035637 /nfs/dbraw/zinc/03/56/37/711035637.db2.gz ANONKNMHXOHIOB-QZTJIDSGSA-N 2 2 349.450 1.519 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccc(CF)cc2)C1 ZINC001032971884 711035640 /nfs/dbraw/zinc/03/56/40/711035640.db2.gz ANONKNMHXOHIOB-QZTJIDSGSA-N 2 2 349.450 1.519 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034775541 711049305 /nfs/dbraw/zinc/04/93/05/711049305.db2.gz CJWOKRBSYMOQKM-WKILWMFISA-N 2 2 327.432 1.575 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)CC1 ZINC001034777810 711057269 /nfs/dbraw/zinc/05/72/69/711057269.db2.gz KTIYPCSZIFZUOU-QAQDUYKDSA-N 2 2 348.491 1.796 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001034786028 711089635 /nfs/dbraw/zinc/08/96/35/711089635.db2.gz HXHCTAMVHDBBET-WKILWMFISA-N 2 2 344.463 1.520 20 0 EDADLP C[C@@H]1C[C@@H](C[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC001003972080 711124344 /nfs/dbraw/zinc/12/43/44/711124344.db2.gz UVLYEWGFMZBPIJ-CABCVRRESA-N 2 2 334.464 1.358 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003972444 711126706 /nfs/dbraw/zinc/12/67/06/711126706.db2.gz XLSXPVXRVGYAEV-INIZCTEOSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003972444 711126711 /nfs/dbraw/zinc/12/67/11/711126711.db2.gz XLSXPVXRVGYAEV-INIZCTEOSA-N 2 2 347.507 1.886 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034799163 711135199 /nfs/dbraw/zinc/13/51/99/711135199.db2.gz AHHJBZNRKUJHLQ-SHTZXODSSA-N 2 2 331.420 1.705 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001034801670 711142122 /nfs/dbraw/zinc/14/21/22/711142122.db2.gz NUUNVUQBDAQNGI-HDJSIYSDSA-N 2 2 333.461 1.599 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2ncccn2)cc1 ZINC001034811810 711176936 /nfs/dbraw/zinc/17/69/36/711176936.db2.gz XQDGGCCRHOHKFB-KRWDZBQOSA-N 2 2 339.443 1.477 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2ncccn2)cc1 ZINC001034811810 711176941 /nfs/dbraw/zinc/17/69/41/711176941.db2.gz XQDGGCCRHOHKFB-KRWDZBQOSA-N 2 2 339.443 1.477 20 0 EDADLP Cc1nonc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001034830712 711235988 /nfs/dbraw/zinc/23/59/88/711235988.db2.gz BAOHOMVLAZVTDD-INIZCTEOSA-N 2 2 343.431 1.236 20 0 EDADLP Cc1nonc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001034830712 711235992 /nfs/dbraw/zinc/23/59/92/711235992.db2.gz BAOHOMVLAZVTDD-INIZCTEOSA-N 2 2 343.431 1.236 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922398281 711474516 /nfs/dbraw/zinc/47/45/16/711474516.db2.gz UROXHLILYVAFJO-LSDHHAIUSA-N 2 2 349.504 1.598 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922398281 711474517 /nfs/dbraw/zinc/47/45/17/711474517.db2.gz UROXHLILYVAFJO-LSDHHAIUSA-N 2 2 349.504 1.598 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033126735 711890821 /nfs/dbraw/zinc/89/08/21/711890821.db2.gz PJNFXVDLVKAMRH-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033126735 711890822 /nfs/dbraw/zinc/89/08/22/711890822.db2.gz PJNFXVDLVKAMRH-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033126735 711890823 /nfs/dbraw/zinc/89/08/23/711890823.db2.gz PJNFXVDLVKAMRH-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033126735 711890825 /nfs/dbraw/zinc/89/08/25/711890825.db2.gz PJNFXVDLVKAMRH-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP C[C@@H](CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)n1cc[nH+]c1 ZINC001004566455 711985200 /nfs/dbraw/zinc/98/52/00/711985200.db2.gz CLSAZKLNQCJTFM-WMZOPIPTSA-N 2 2 348.491 1.920 20 0 EDADLP C[C@@H](CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)n1cc[nH+]c1 ZINC001004566455 711985201 /nfs/dbraw/zinc/98/52/01/711985201.db2.gz CLSAZKLNQCJTFM-WMZOPIPTSA-N 2 2 348.491 1.920 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595444 712035785 /nfs/dbraw/zinc/03/57/85/712035785.db2.gz HOFVNBWSDJMDCE-KRWDZBQOSA-N 2 2 334.464 1.312 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001004595444 712035787 /nfs/dbraw/zinc/03/57/87/712035787.db2.gz HOFVNBWSDJMDCE-KRWDZBQOSA-N 2 2 334.464 1.312 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033148184 712067195 /nfs/dbraw/zinc/06/71/95/712067195.db2.gz BVMLAWVKDLIQED-GDBMZVCRSA-N 2 2 342.447 1.227 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033148184 712067199 /nfs/dbraw/zinc/06/71/99/712067199.db2.gz BVMLAWVKDLIQED-GDBMZVCRSA-N 2 2 342.447 1.227 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001004620366 712082205 /nfs/dbraw/zinc/08/22/05/712082205.db2.gz PJNQVEIYXTXGKR-MOPGFXCFSA-N 2 2 349.519 1.820 20 0 EDADLP CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001004620366 712082208 /nfs/dbraw/zinc/08/22/08/712082208.db2.gz PJNQVEIYXTXGKR-MOPGFXCFSA-N 2 2 349.519 1.820 20 0 EDADLP CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001004620369 712082221 /nfs/dbraw/zinc/08/22/21/712082221.db2.gz PJNQVEIYXTXGKR-RBUKOAKNSA-N 2 2 349.519 1.820 20 0 EDADLP CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001004620369 712082224 /nfs/dbraw/zinc/08/22/24/712082224.db2.gz PJNQVEIYXTXGKR-RBUKOAKNSA-N 2 2 349.519 1.820 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000051763376 214103587 /nfs/dbraw/zinc/10/35/87/214103587.db2.gz QQHPTDSLTSICNT-UHFFFAOYSA-N 2 2 330.407 1.580 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557656094 306232276 /nfs/dbraw/zinc/23/22/76/306232276.db2.gz BMEKJZNYKUDBCX-OAHLLOKOSA-N 2 2 334.464 1.262 20 0 EDADLP CC[C@@H](C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1)[NH+](CC)CC ZINC000558033541 306235261 /nfs/dbraw/zinc/23/52/61/306235261.db2.gz MXHHUEDTPMFWIT-ZBFHGGJFSA-N 2 2 336.480 1.278 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CC3(O)CCOCC3)[C@@H](C)C2)s1 ZINC000375514425 282151080 /nfs/dbraw/zinc/15/10/80/282151080.db2.gz NRQKMNKGXKSCKQ-BBRMVZONSA-N 2 2 339.505 1.793 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CC3(O)CCOCC3)[C@@H](C)C2)s1 ZINC000375514425 282151084 /nfs/dbraw/zinc/15/10/84/282151084.db2.gz NRQKMNKGXKSCKQ-BBRMVZONSA-N 2 2 339.505 1.793 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cn3ccccc3n2)C1=O ZINC000558677740 306243489 /nfs/dbraw/zinc/24/34/89/306243489.db2.gz FPVJZDVQQMEBJK-HNNXBMFYSA-N 2 2 338.415 1.349 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000173397452 282223060 /nfs/dbraw/zinc/22/30/60/282223060.db2.gz PZIBLWQFWNTZNZ-KRWDZBQOSA-N 2 2 325.497 1.581 20 0 EDADLP Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274679 282258196 /nfs/dbraw/zinc/25/81/96/282258196.db2.gz RGSIVEPZEAXTMO-INIZCTEOSA-N 2 2 347.507 1.254 20 0 EDADLP Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274679 282258203 /nfs/dbraw/zinc/25/82/03/282258203.db2.gz RGSIVEPZEAXTMO-INIZCTEOSA-N 2 2 347.507 1.254 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000174878912 529776063 /nfs/dbraw/zinc/77/60/63/529776063.db2.gz UCLUWCBLZZXEQK-GOSISDBHSA-N 2 2 330.476 1.727 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000174878912 529776064 /nfs/dbraw/zinc/77/60/64/529776064.db2.gz UCLUWCBLZZXEQK-GOSISDBHSA-N 2 2 330.476 1.727 20 0 EDADLP CN(C)c1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000152967604 529792589 /nfs/dbraw/zinc/79/25/89/529792589.db2.gz PDICZRHEOJYSGA-UHFFFAOYSA-N 2 2 334.468 1.295 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000183312024 529808758 /nfs/dbraw/zinc/80/87/58/529808758.db2.gz AGKFRVAUEOBMBD-CVEARBPZSA-N 2 2 327.432 1.960 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000183312024 529808759 /nfs/dbraw/zinc/80/87/59/529808759.db2.gz AGKFRVAUEOBMBD-CVEARBPZSA-N 2 2 327.432 1.960 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159290363 529879835 /nfs/dbraw/zinc/87/98/35/529879835.db2.gz FOGKHWVRLIEKNK-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159290363 529879836 /nfs/dbraw/zinc/87/98/36/529879836.db2.gz FOGKHWVRLIEKNK-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159290363 529879838 /nfs/dbraw/zinc/87/98/38/529879838.db2.gz FOGKHWVRLIEKNK-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159290363 529879839 /nfs/dbraw/zinc/87/98/39/529879839.db2.gz FOGKHWVRLIEKNK-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(O)cc1 ZINC000183772400 529903974 /nfs/dbraw/zinc/90/39/74/529903974.db2.gz ZVPMUGIVVURZHD-UHFFFAOYSA-N 2 2 333.476 1.809 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(O)cc1 ZINC000183772400 529903975 /nfs/dbraw/zinc/90/39/75/529903975.db2.gz ZVPMUGIVVURZHD-UHFFFAOYSA-N 2 2 333.476 1.809 20 0 EDADLP C[C@@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)[NH+]1CCOCC1 ZINC000354723727 295712538 /nfs/dbraw/zinc/71/25/38/295712538.db2.gz HBFVVWIDDXYXQJ-INIZCTEOSA-N 2 2 325.497 1.678 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000168593929 529993576 /nfs/dbraw/zinc/99/35/76/529993576.db2.gz CMJKVKQIYNBUIR-STQMWFEESA-N 2 2 325.403 1.901 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000168593929 529993578 /nfs/dbraw/zinc/99/35/78/529993578.db2.gz CMJKVKQIYNBUIR-STQMWFEESA-N 2 2 325.403 1.901 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000158958287 530059092 /nfs/dbraw/zinc/05/90/92/530059092.db2.gz MIVIPMPHKQCNPZ-MOPGFXCFSA-N 2 2 327.472 1.987 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000158958287 530059093 /nfs/dbraw/zinc/05/90/93/530059093.db2.gz MIVIPMPHKQCNPZ-MOPGFXCFSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000158958287 530059094 /nfs/dbraw/zinc/05/90/94/530059094.db2.gz MIVIPMPHKQCNPZ-MOPGFXCFSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4ccccc4C3)CC[C@@H]21 ZINC000158958287 530059095 /nfs/dbraw/zinc/05/90/95/530059095.db2.gz MIVIPMPHKQCNPZ-MOPGFXCFSA-N 2 2 327.472 1.987 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000101627440 219147812 /nfs/dbraw/zinc/14/78/12/219147812.db2.gz GFRQRYGFUYSHHD-DOTOQJQBSA-N 2 2 348.491 1.050 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)Cc2cn3c([nH+]2)CCCC3)C[C@@H](C)O1 ZINC000429537072 539523414 /nfs/dbraw/zinc/52/34/14/539523414.db2.gz GVUVEPQZPHJQMW-BFYDXBDKSA-N 2 2 336.480 1.121 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333315774 304004391 /nfs/dbraw/zinc/00/43/91/304004391.db2.gz MGPAWISBKDLWJC-GOSISDBHSA-N 2 2 344.459 1.661 20 0 EDADLP Cc1ncsc1C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179428387 233022430 /nfs/dbraw/zinc/02/24/30/233022430.db2.gz FZUDQJIJMGIDJV-UHFFFAOYSA-N 2 2 332.477 1.625 20 0 EDADLP Cc1ncsc1C[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179428387 233022433 /nfs/dbraw/zinc/02/24/33/233022433.db2.gz FZUDQJIJMGIDJV-UHFFFAOYSA-N 2 2 332.477 1.625 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339070542 539700005 /nfs/dbraw/zinc/70/00/05/539700005.db2.gz ZMPNDIIEKVMSMJ-ROUUACIJSA-N 3 2 329.492 1.550 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339070542 539700010 /nfs/dbraw/zinc/70/00/10/539700010.db2.gz ZMPNDIIEKVMSMJ-ROUUACIJSA-N 3 2 329.492 1.550 20 0 EDADLP C[NH+]1CCC(CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000103320240 219290936 /nfs/dbraw/zinc/29/09/36/219290936.db2.gz WYTNLXUKFJEBLV-UHFFFAOYSA-N 2 2 345.491 1.641 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1cc(F)cc(F)c1 ZINC000151341016 539750424 /nfs/dbraw/zinc/75/04/24/539750424.db2.gz CJTBFQSJSHIZHY-UHFFFAOYSA-N 2 2 346.381 1.798 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1Br ZINC000068802597 215336314 /nfs/dbraw/zinc/33/63/14/215336314.db2.gz AIFXSOZVROBAAI-CYBMUJFWSA-N 2 2 342.281 1.793 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1Br ZINC000068802597 215336317 /nfs/dbraw/zinc/33/63/17/215336317.db2.gz AIFXSOZVROBAAI-CYBMUJFWSA-N 2 2 342.281 1.793 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)CCc3c[nH+]c[nH]3)CCCC2)CC1 ZINC000353446865 539933748 /nfs/dbraw/zinc/93/37/48/539933748.db2.gz MWHSLDACHOYMEO-UHFFFAOYSA-N 2 2 334.464 1.882 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)CCc3c[nH]c[nH+]3)CCCC2)CC1 ZINC000353446865 539933752 /nfs/dbraw/zinc/93/37/52/539933752.db2.gz MWHSLDACHOYMEO-UHFFFAOYSA-N 2 2 334.464 1.882 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000562788909 306308797 /nfs/dbraw/zinc/30/87/97/306308797.db2.gz AZLUGNMGUSRWJU-SFYZZRBRSA-N 2 2 343.475 1.997 20 0 EDADLP Cc1cc(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc(C)c1O ZINC000563003129 306315709 /nfs/dbraw/zinc/31/57/09/306315709.db2.gz OBATWZXMOHFIBN-BQFCYCMXSA-N 2 2 336.476 1.611 20 0 EDADLP O=C1C[C@@H](C[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000563271669 306325733 /nfs/dbraw/zinc/32/57/33/306325733.db2.gz VTDQQKAXIIODCM-ZWKOTPCHSA-N 2 2 327.472 1.904 20 0 EDADLP O=C1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000563271669 306325734 /nfs/dbraw/zinc/32/57/34/306325734.db2.gz VTDQQKAXIIODCM-ZWKOTPCHSA-N 2 2 327.472 1.904 20 0 EDADLP CC[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000643275382 452112003 /nfs/dbraw/zinc/11/20/03/452112003.db2.gz ZYHRDAHMIDZVGF-JKSUJKDBSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000643275382 452112009 /nfs/dbraw/zinc/11/20/09/452112009.db2.gz ZYHRDAHMIDZVGF-JKSUJKDBSA-N 2 2 326.485 1.221 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000563352324 306329324 /nfs/dbraw/zinc/32/93/24/306329324.db2.gz IOKUPSLIWQRUFL-MJGOQNOKSA-N 2 2 334.460 1.447 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000563352324 306329325 /nfs/dbraw/zinc/32/93/25/306329325.db2.gz IOKUPSLIWQRUFL-MJGOQNOKSA-N 2 2 334.460 1.447 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000563352324 306329326 /nfs/dbraw/zinc/32/93/26/306329326.db2.gz IOKUPSLIWQRUFL-MJGOQNOKSA-N 2 2 334.460 1.447 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000563352324 306329327 /nfs/dbraw/zinc/32/93/27/306329327.db2.gz IOKUPSLIWQRUFL-MJGOQNOKSA-N 2 2 334.460 1.447 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000067618897 138188382 /nfs/dbraw/zinc/18/83/82/138188382.db2.gz ODCAUZVGNQEXST-MRXNPFEDSA-N 2 2 349.479 1.040 20 0 EDADLP CC(C)C[C@H](CNC(=O)Cc1cn2ccccc2[nH+]1)[NH+]1CCOCC1 ZINC000068747147 138196195 /nfs/dbraw/zinc/19/61/95/138196195.db2.gz KSISCBAFUBMRFJ-QGZVFWFLSA-N 2 2 344.459 1.740 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]3)CC2)cc1OC ZINC000563528021 306337161 /nfs/dbraw/zinc/33/71/61/306337161.db2.gz AQIRJFSWWRQGPJ-CQSZACIVSA-N 2 2 347.459 1.536 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069044674 138197142 /nfs/dbraw/zinc/19/71/42/138197142.db2.gz CATJUXXMXZFKRD-INIZCTEOSA-N 2 2 338.496 1.415 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069044674 138197144 /nfs/dbraw/zinc/19/71/44/138197144.db2.gz CATJUXXMXZFKRD-INIZCTEOSA-N 2 2 338.496 1.415 20 0 EDADLP CC[NH+]1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000071925635 138206515 /nfs/dbraw/zinc/20/65/15/138206515.db2.gz OBWNZWVRNWHMFI-UHFFFAOYSA-N 2 2 341.459 1.821 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1nc(C(C)(C)C)cs1 ZINC000563570660 306339476 /nfs/dbraw/zinc/33/94/76/306339476.db2.gz TUTZLSNKLCEGJD-NEPJUHHUSA-N 2 2 339.509 1.786 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1nc(C(C)(C)C)cs1 ZINC000563570660 306339477 /nfs/dbraw/zinc/33/94/77/306339477.db2.gz TUTZLSNKLCEGJD-NEPJUHHUSA-N 2 2 339.509 1.786 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)OCC2CC2)CC1 ZINC000413394616 304059765 /nfs/dbraw/zinc/05/97/65/304059765.db2.gz BGCDDCGHRBAZKN-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c[nH]1 ZINC000092665792 138290075 /nfs/dbraw/zinc/29/00/75/138290075.db2.gz UDLQFVXMLPTJFH-IYBDPMFKSA-N 2 2 348.491 1.792 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c[nH]1 ZINC000092665792 138290076 /nfs/dbraw/zinc/29/00/76/138290076.db2.gz UDLQFVXMLPTJFH-IYBDPMFKSA-N 2 2 348.491 1.792 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093204368 138292709 /nfs/dbraw/zinc/29/27/09/138292709.db2.gz MWNYYUYMVLQXPU-MRXNPFEDSA-N 2 2 348.466 1.278 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000124931862 138330796 /nfs/dbraw/zinc/33/07/96/138330796.db2.gz OODADBVCABFQTD-YOEHRIQHSA-N 2 2 335.423 1.362 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000124931862 138330797 /nfs/dbraw/zinc/33/07/97/138330797.db2.gz OODADBVCABFQTD-YOEHRIQHSA-N 2 2 335.423 1.362 20 0 EDADLP C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH+]1CCSCC1 ZINC000125047182 138331698 /nfs/dbraw/zinc/33/16/98/138331698.db2.gz DOKYLRBQFNJSTF-AWEZNQCLSA-N 2 2 334.489 1.604 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)n1C ZINC000563633358 306343112 /nfs/dbraw/zinc/34/31/12/306343112.db2.gz YDEIVYROVDZFPZ-HNNXBMFYSA-N 2 2 343.431 1.216 20 0 EDADLP C[N@@H+]1CCN(c2ncnc3cc(Br)ccc32)[C@@H](C[NH3+])C1 ZINC000563647827 306343668 /nfs/dbraw/zinc/34/36/68/306343668.db2.gz YBLHJGBYBYRMHZ-NSHDSACASA-N 2 2 336.237 1.471 20 0 EDADLP C[N@H+]1CCN(c2ncnc3cc(Br)ccc32)[C@@H](C[NH3+])C1 ZINC000563647827 306343669 /nfs/dbraw/zinc/34/36/69/306343669.db2.gz YBLHJGBYBYRMHZ-NSHDSACASA-N 2 2 336.237 1.471 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000563673161 306344743 /nfs/dbraw/zinc/34/47/43/306344743.db2.gz JMVQXAXIQXNCAK-ZIFCJYIRSA-N 2 2 337.508 1.773 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000563673161 306344744 /nfs/dbraw/zinc/34/47/44/306344744.db2.gz JMVQXAXIQXNCAK-ZIFCJYIRSA-N 2 2 337.508 1.773 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248419691 535445219 /nfs/dbraw/zinc/44/52/19/535445219.db2.gz LETBHVFBNIDSFU-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000564721633 306363484 /nfs/dbraw/zinc/36/34/84/306363484.db2.gz BDDDYHZAYJLIJL-FRFSOERESA-N 2 2 348.443 1.428 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000564721633 306363485 /nfs/dbraw/zinc/36/34/85/306363485.db2.gz BDDDYHZAYJLIJL-FRFSOERESA-N 2 2 348.443 1.428 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000564921923 306369428 /nfs/dbraw/zinc/36/94/28/306369428.db2.gz ASQZUGYOGYYPKL-AWEZNQCLSA-N 2 2 343.431 1.487 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000564979983 306371859 /nfs/dbraw/zinc/37/18/59/306371859.db2.gz OCSIVQXTLXWWAD-STQMWFEESA-N 2 2 345.447 1.093 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000565420740 306383604 /nfs/dbraw/zinc/38/36/04/306383604.db2.gz OLPXUDRFTSJOCA-DAYGRLMNSA-N 2 2 347.459 1.324 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000072859592 216319141 /nfs/dbraw/zinc/31/91/41/216319141.db2.gz MLSFTSHMISLQCY-OAHLLOKOSA-N 2 2 333.432 1.305 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000072859592 216319142 /nfs/dbraw/zinc/31/91/42/216319142.db2.gz MLSFTSHMISLQCY-OAHLLOKOSA-N 2 2 333.432 1.305 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000072859592 216319145 /nfs/dbraw/zinc/31/91/45/216319145.db2.gz MLSFTSHMISLQCY-OAHLLOKOSA-N 2 2 333.432 1.305 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000072859592 216319150 /nfs/dbraw/zinc/31/91/50/216319150.db2.gz MLSFTSHMISLQCY-OAHLLOKOSA-N 2 2 333.432 1.305 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000565645250 306388654 /nfs/dbraw/zinc/38/86/54/306388654.db2.gz QQGMJWQBRAPZRO-JTQLQIEISA-N 2 2 332.326 1.534 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000565645250 306388655 /nfs/dbraw/zinc/38/86/55/306388655.db2.gz QQGMJWQBRAPZRO-JTQLQIEISA-N 2 2 332.326 1.534 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000565646365 306388718 /nfs/dbraw/zinc/38/87/18/306388718.db2.gz GNWOOAUKRSNAKN-DJIMGWMZSA-N 2 2 334.439 1.746 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)n1C ZINC000414370973 304112751 /nfs/dbraw/zinc/11/27/51/304112751.db2.gz XHGGAPJIGWKHQS-ZDUSSCGKSA-N 2 2 333.411 1.059 20 0 EDADLP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)C[NH+]1CCOCC1 ZINC000566063992 306397420 /nfs/dbraw/zinc/39/74/20/306397420.db2.gz UNGGWPCZDSGNKL-HOCLYGCPSA-N 2 2 342.867 1.638 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@H]1C[NH2+]Cc2ccccc21 ZINC000566163011 306401024 /nfs/dbraw/zinc/40/10/24/306401024.db2.gz QWNZNLVDGRFDJI-ZDUSSCGKSA-N 2 2 338.333 1.949 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000424377291 299370557 /nfs/dbraw/zinc/37/05/57/299370557.db2.gz QZOWWJAOYIQYBU-APHBMKBZSA-N 2 2 325.478 1.857 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000566668389 306424035 /nfs/dbraw/zinc/42/40/35/306424035.db2.gz NMHHQIAYNUHZEV-UHFFFAOYSA-N 2 2 329.448 1.531 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000375226163 296140038 /nfs/dbraw/zinc/14/00/38/296140038.db2.gz NFCBCZKDCDSFDW-QGZVFWFLSA-N 2 2 332.448 1.548 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000375226163 296140039 /nfs/dbraw/zinc/14/00/39/296140039.db2.gz NFCBCZKDCDSFDW-QGZVFWFLSA-N 2 2 332.448 1.548 20 0 EDADLP COc1cc(Br)ccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415036380 304152987 /nfs/dbraw/zinc/15/29/87/304152987.db2.gz JTFDRDIPFLASGC-ZDUSSCGKSA-N 2 2 329.238 1.926 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000415041700 304153700 /nfs/dbraw/zinc/15/37/00/304153700.db2.gz PSEMISZSYNPEIA-LJQANCHMSA-N 3 2 346.519 1.687 20 0 EDADLP [NH3+]CCc1nc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cs1 ZINC000194827008 139000821 /nfs/dbraw/zinc/00/08/21/139000821.db2.gz CLHYUIJTSRLQAJ-UHFFFAOYSA-N 2 2 331.445 1.570 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1O ZINC000194975510 139003574 /nfs/dbraw/zinc/00/35/74/139003574.db2.gz CSOFEJSLEWYJTJ-OAHLLOKOSA-N 2 2 333.432 1.139 20 0 EDADLP C[NH2+]CCCC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000237139709 139041997 /nfs/dbraw/zinc/04/19/97/139041997.db2.gz AIOVOHAEMBEFCQ-UHFFFAOYSA-N 2 2 335.448 1.348 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237275381 139046234 /nfs/dbraw/zinc/04/62/34/139046234.db2.gz LJWOLSZFJUAFKK-HZPDHXFCSA-N 2 2 337.489 1.084 20 0 EDADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000237496496 139052592 /nfs/dbraw/zinc/05/25/92/139052592.db2.gz UXPRUDQEDUECKX-BBRMVZONSA-N 2 2 337.851 1.534 20 0 EDADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000237755933 139059574 /nfs/dbraw/zinc/05/95/74/139059574.db2.gz SIIZHGAFEKQJTM-INIZCTEOSA-N 2 2 337.851 1.615 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000237900998 139063199 /nfs/dbraw/zinc/06/31/99/139063199.db2.gz LTIMKKWIPCZSQV-KSZLIROESA-N 2 2 331.460 1.694 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000237871875 139062517 /nfs/dbraw/zinc/06/25/17/139062517.db2.gz DTHXGKMBQMINGH-SJORKVTESA-N 2 2 347.459 1.141 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C2CC[NH+](C)CC2)[NH+]2CCOCC2)c1 ZINC000081256010 217374407 /nfs/dbraw/zinc/37/44/07/217374407.db2.gz DFCXNHTVMIQQAC-IBGZPJMESA-N 2 2 345.487 1.826 20 0 EDADLP [NH3+][C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000238026976 139067027 /nfs/dbraw/zinc/06/70/27/139067027.db2.gz SAPLSQXCVYLYLD-KRWDZBQOSA-N 2 2 326.400 1.234 20 0 EDADLP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cn1 ZINC000245449100 139075424 /nfs/dbraw/zinc/07/54/24/139075424.db2.gz NJYSXUKMCKYWKB-DOTOQJQBSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cn1 ZINC000245449100 139075425 /nfs/dbraw/zinc/07/54/25/139075425.db2.gz NJYSXUKMCKYWKB-DOTOQJQBSA-N 2 2 331.464 1.333 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC3([NH3+])CCCCC3)ccc2[nH+]1 ZINC000415290465 304186934 /nfs/dbraw/zinc/18/69/34/304186934.db2.gz HDZQJEISJMJOMS-UHFFFAOYSA-N 2 2 329.404 1.359 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000415299214 304188791 /nfs/dbraw/zinc/18/87/91/304188791.db2.gz HTXHKTQABNUVHR-BBRMVZONSA-N 2 2 347.463 1.818 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H](OCCO)C3)c2cc1C ZINC000246739970 139119613 /nfs/dbraw/zinc/11/96/13/139119613.db2.gz ILHSEXJWWZNEPZ-DLBZAZTESA-N 2 2 347.459 1.487 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H](OCCO)C3)c2cc1C ZINC000246739970 139119614 /nfs/dbraw/zinc/11/96/14/139119614.db2.gz ILHSEXJWWZNEPZ-DLBZAZTESA-N 2 2 347.459 1.487 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000415317702 304193333 /nfs/dbraw/zinc/19/33/33/304193333.db2.gz PYIZPXWHKFBMTE-HNNXBMFYSA-N 2 2 333.436 1.428 20 0 EDADLP CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415382955 304209895 /nfs/dbraw/zinc/20/98/95/304209895.db2.gz QQAVKFNITKWZRO-UHFFFAOYSA-N 2 2 343.431 1.555 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)cn21 ZINC000248696124 139171999 /nfs/dbraw/zinc/17/19/99/139171999.db2.gz YUMNFYUBSQLMPR-GJZGRUSLSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)cn21 ZINC000248696124 139172000 /nfs/dbraw/zinc/17/20/00/139172000.db2.gz YUMNFYUBSQLMPR-GJZGRUSLSA-N 2 2 345.447 1.239 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cccnc1 ZINC000092738479 218163998 /nfs/dbraw/zinc/16/39/98/218163998.db2.gz DCTREIBDXGOOIJ-MRXNPFEDSA-N 2 2 326.448 1.735 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000249767946 139198361 /nfs/dbraw/zinc/19/83/61/139198361.db2.gz BDPMMMSKWYNGHB-RVKKMQEKSA-N 2 2 348.466 1.450 20 0 EDADLP C[C@]1(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)CC[NH2+]C1 ZINC000261711134 139219642 /nfs/dbraw/zinc/21/96/42/139219642.db2.gz DQESRPGZEHNOJM-IBGZPJMESA-N 2 2 341.459 1.453 20 0 EDADLP [NH3+][C@H](C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)C1CCOCC1 ZINC000261730966 139221410 /nfs/dbraw/zinc/22/14/10/139221410.db2.gz JVWWJUFFQSFAOM-SFHVURJKSA-N 2 2 346.475 1.832 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CCC[NH+]3CCCC3)nc[nH+]2)C1 ZINC000413262220 250698607 /nfs/dbraw/zinc/69/86/07/250698607.db2.gz FREREUYFTJVIFI-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CCC[NH+]3CCCC3)[nH+]cn2)C1 ZINC000413262220 250698611 /nfs/dbraw/zinc/69/86/11/250698611.db2.gz FREREUYFTJVIFI-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261752601 139223294 /nfs/dbraw/zinc/22/32/94/139223294.db2.gz NODOMLVPWDZKNQ-SFHVURJKSA-N 2 2 335.411 1.913 20 0 EDADLP C[C@H]([NH3+])CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000261749562 139222948 /nfs/dbraw/zinc/22/29/48/139222948.db2.gz HEKWOGRFUNFNHZ-ZDUSSCGKSA-N 2 2 349.866 1.759 20 0 EDADLP C[C@H]([NH3+])CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000261749562 139222949 /nfs/dbraw/zinc/22/29/49/139222949.db2.gz HEKWOGRFUNFNHZ-ZDUSSCGKSA-N 2 2 349.866 1.759 20 0 EDADLP COc1ccc(CN2CCC[N@H+](C[C@H]3CCC[NH2+]C3)CC2=O)cc1 ZINC000261819360 139228780 /nfs/dbraw/zinc/22/87/80/139228780.db2.gz IGEWSNGUFTUTNF-KRWDZBQOSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(CN2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)CC2=O)cc1 ZINC000261819360 139228781 /nfs/dbraw/zinc/22/87/81/139228781.db2.gz IGEWSNGUFTUTNF-KRWDZBQOSA-N 2 2 331.460 1.729 20 0 EDADLP Cn1ncc(Cl)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261813251 139228252 /nfs/dbraw/zinc/22/82/52/139228252.db2.gz HTWCLEFJOMFAME-OCCSQVGLSA-N 2 2 339.871 1.154 20 0 EDADLP Cn1ncc(Cl)c1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261813251 139228253 /nfs/dbraw/zinc/22/82/53/139228253.db2.gz HTWCLEFJOMFAME-OCCSQVGLSA-N 2 2 339.871 1.154 20 0 EDADLP C([NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1([NH+]2CCCC2)CCOCC1 ZINC000261875884 139233266 /nfs/dbraw/zinc/23/32/66/139233266.db2.gz DRLNEBSAPFEUED-OKZBNKHCSA-N 3 2 337.508 1.378 20 0 EDADLP c1nnc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)n1-c1ccccc1 ZINC000261914337 139236516 /nfs/dbraw/zinc/23/65/16/139236516.db2.gz JKVGHULCTWHRDE-GVDBMIGSSA-N 2 2 327.432 1.514 20 0 EDADLP CC(C)N(C)c1cnn([C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)c(=O)c1 ZINC000262080966 139249290 /nfs/dbraw/zinc/24/92/90/139249290.db2.gz TVYDJCNVEAXAMK-LPHOPBHVSA-N 2 2 347.507 1.724 20 0 EDADLP CC(C)N(C)c1cnn([C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)c(=O)c1 ZINC000262080966 139249291 /nfs/dbraw/zinc/24/92/91/139249291.db2.gz TVYDJCNVEAXAMK-LPHOPBHVSA-N 2 2 347.507 1.724 20 0 EDADLP [NH3+]CCCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000262180804 139257908 /nfs/dbraw/zinc/25/79/08/139257908.db2.gz FOEYYICQBLHSES-UHFFFAOYSA-N 2 2 329.404 1.381 20 0 EDADLP [NH3+]CC[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC000415993374 251045127 /nfs/dbraw/zinc/04/51/27/251045127.db2.gz IZKUVQROIQVKMG-NSHDSACASA-N 2 2 331.342 1.193 20 0 EDADLP CC[N@H+](CCCNC(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000416872974 251114069 /nfs/dbraw/zinc/11/40/69/251114069.db2.gz MRDJWWUIUBMCNL-IBGZPJMESA-N 2 2 348.491 1.971 20 0 EDADLP CC[N@@H+](CCCNC(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000416872974 251114072 /nfs/dbraw/zinc/11/40/72/251114072.db2.gz MRDJWWUIUBMCNL-IBGZPJMESA-N 2 2 348.491 1.971 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)c[nH+]1 ZINC000416995357 251122794 /nfs/dbraw/zinc/12/27/94/251122794.db2.gz VJHSRYBDYORNLY-GOSISDBHSA-N 2 2 349.479 1.496 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000417001324 251125143 /nfs/dbraw/zinc/12/51/43/251125143.db2.gz SYZDTATVJVEVOA-ZOBUZTSGSA-N 2 2 334.464 1.403 20 0 EDADLP CO[C@@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000417272068 251151486 /nfs/dbraw/zinc/15/14/86/251151486.db2.gz UNDOSGBRZZZEPF-JKSUJKDBSA-N 2 2 343.431 1.520 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCCO1 ZINC000417270203 251152541 /nfs/dbraw/zinc/15/25/41/251152541.db2.gz QLLXPGCBGSYWQK-OAHLLOKOSA-N 2 2 329.404 1.132 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417583226 251198684 /nfs/dbraw/zinc/19/86/84/251198684.db2.gz JWBRJFQWPULWBO-CYBMUJFWSA-N 2 2 340.418 1.838 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417583226 251198688 /nfs/dbraw/zinc/19/86/88/251198688.db2.gz JWBRJFQWPULWBO-CYBMUJFWSA-N 2 2 340.418 1.838 20 0 EDADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262388316 139275419 /nfs/dbraw/zinc/27/54/19/139275419.db2.gz MKZAWBJFISSBJT-XJKCOSOUSA-N 2 2 337.851 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)c2)C[C@H](C)O1 ZINC000262419662 139277772 /nfs/dbraw/zinc/27/77/72/139277772.db2.gz ZYVZPROBBYMHRW-FSZRXZPDSA-N 2 2 347.459 1.611 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)c2)C[C@H](C)O1 ZINC000262419662 139277773 /nfs/dbraw/zinc/27/77/73/139277773.db2.gz ZYVZPROBBYMHRW-FSZRXZPDSA-N 2 2 347.459 1.611 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418686661 251385977 /nfs/dbraw/zinc/38/59/77/251385977.db2.gz PMCXDJOPYUJWPI-DLBZAZTESA-N 2 2 327.432 1.670 20 0 EDADLP [NH3+]C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)C1CCCCC1 ZINC000420352342 251695075 /nfs/dbraw/zinc/69/50/75/251695075.db2.gz AFUXEKNUIJCYPE-MRXNPFEDSA-N 2 2 332.448 1.510 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422881471 252010169 /nfs/dbraw/zinc/01/01/69/252010169.db2.gz NTVNTZGEVSITGW-MAUKXSAKSA-N 3 2 330.476 1.162 20 0 EDADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000422888655 252011734 /nfs/dbraw/zinc/01/17/34/252011734.db2.gz DMSJMTMQIFITPT-PXNSSMCTSA-N 3 2 330.520 1.912 20 0 EDADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422890251 252013818 /nfs/dbraw/zinc/01/38/18/252013818.db2.gz HZBDOSIGGRXRAL-YLJYHZDGSA-N 3 2 330.520 1.912 20 0 EDADLP CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[NH2+]1 ZINC000422858888 252002064 /nfs/dbraw/zinc/00/20/64/252002064.db2.gz JEIUOQAZOHKJML-CVEARBPZSA-N 2 2 326.462 1.589 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000423414221 252053485 /nfs/dbraw/zinc/05/34/85/252053485.db2.gz MGZNWCHWQRUDAI-XEZPLFJOSA-N 2 2 349.431 1.125 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CCC[NH2+]1 ZINC000423003889 252024116 /nfs/dbraw/zinc/02/41/16/252024116.db2.gz NNWCZSBPBLPPBH-UPJWGTAASA-N 2 2 332.491 1.003 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000423800162 252080544 /nfs/dbraw/zinc/08/05/44/252080544.db2.gz MIRYIJIPAIKAAB-RDTXWAMCSA-N 2 2 342.443 1.910 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)CC2)on1 ZINC000424275861 252188991 /nfs/dbraw/zinc/18/89/91/252188991.db2.gz BFMKGXMVYJXXSS-INIZCTEOSA-N 2 2 332.423 1.982 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](CCCOc3ccc4c(c3)OCO4)C[C@H]2[NH3+])cn1 ZINC000424287410 252190901 /nfs/dbraw/zinc/19/09/01/252190901.db2.gz HMDITHWMXHUWBS-JKSUJKDBSA-N 2 2 344.415 1.344 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](CCCOc3ccc4c(c3)OCO4)C[C@H]2[NH3+])cn1 ZINC000424287410 252190904 /nfs/dbraw/zinc/19/09/04/252190904.db2.gz HMDITHWMXHUWBS-JKSUJKDBSA-N 2 2 344.415 1.344 20 0 EDADLP O=C(CCCc1ccccc1)NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000424373508 252202647 /nfs/dbraw/zinc/20/26/47/252202647.db2.gz ICSVRQAOCGDJGX-QUCCMNQESA-N 2 2 345.487 1.482 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424465971 252238600 /nfs/dbraw/zinc/23/86/00/252238600.db2.gz KCWSEYUZQULBOT-CYBMUJFWSA-N 2 2 329.395 1.468 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000263715450 139355098 /nfs/dbraw/zinc/35/50/98/139355098.db2.gz KTAOBCVAJBFVFY-OKILXGFUSA-N 2 2 332.452 1.968 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000363558574 285232042 /nfs/dbraw/zinc/23/20/42/285232042.db2.gz TVSMKBMVZQTTKX-DNVCBOLYSA-N 2 2 331.460 1.827 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000363558574 285232057 /nfs/dbraw/zinc/23/20/57/285232057.db2.gz TVSMKBMVZQTTKX-DNVCBOLYSA-N 2 2 331.460 1.827 20 0 EDADLP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000488715936 255050325 /nfs/dbraw/zinc/05/03/25/255050325.db2.gz IPGXDJQNTPQZFH-SJLPKXTDSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000488715936 255050326 /nfs/dbraw/zinc/05/03/26/255050326.db2.gz IPGXDJQNTPQZFH-SJLPKXTDSA-N 2 2 331.460 1.034 20 0 EDADLP COc1ccccc1-c1ncc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000490775015 255106540 /nfs/dbraw/zinc/10/65/40/255106540.db2.gz FIYVFOCKPVSKPS-MRXNPFEDSA-N 2 2 342.443 1.699 20 0 EDADLP C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000494226642 255242691 /nfs/dbraw/zinc/24/26/91/255242691.db2.gz JAQBINFXUKUTRR-RHSMWYFYSA-N 2 2 337.489 1.549 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)C1 ZINC000494849091 255263205 /nfs/dbraw/zinc/26/32/05/255263205.db2.gz DFTOZVMZEMMDGD-DZGCQCFKSA-N 2 2 331.526 1.509 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)C1 ZINC000494849091 255263206 /nfs/dbraw/zinc/26/32/06/255263206.db2.gz DFTOZVMZEMMDGD-DZGCQCFKSA-N 2 2 331.526 1.509 20 0 EDADLP CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000496474663 255396245 /nfs/dbraw/zinc/39/62/45/255396245.db2.gz RAJSKUMUGGZPLB-OAHLLOKOSA-N 2 2 338.452 1.481 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc3[nH+]ccn3c2)C[C@@H](C)O1 ZINC000264021162 139375997 /nfs/dbraw/zinc/37/59/97/139375997.db2.gz RPHPOMAHIAZQFA-ZIAGYGMSSA-N 2 2 330.432 1.952 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C)c(C)c3)C2)CC1 ZINC000118834714 221192401 /nfs/dbraw/zinc/19/24/01/221192401.db2.gz PNDWYTVWFWURCT-LJQANCHMSA-N 2 2 344.503 1.954 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C)c(C)c3)C2)CC1 ZINC000118834714 221192404 /nfs/dbraw/zinc/19/24/04/221192404.db2.gz PNDWYTVWFWURCT-LJQANCHMSA-N 2 2 344.503 1.954 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118843281 221195244 /nfs/dbraw/zinc/19/52/44/221195244.db2.gz MNAKCIZYBCMJCI-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118843281 221195245 /nfs/dbraw/zinc/19/52/45/221195245.db2.gz MNAKCIZYBCMJCI-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118843281 221195248 /nfs/dbraw/zinc/19/52/48/221195248.db2.gz MNAKCIZYBCMJCI-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000118843281 221195249 /nfs/dbraw/zinc/19/52/49/221195249.db2.gz MNAKCIZYBCMJCI-CQSZACIVSA-N 2 2 333.432 1.685 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000264347751 139399061 /nfs/dbraw/zinc/39/90/61/139399061.db2.gz FODKLCTZFPUBBM-OAHLLOKOSA-N 2 2 342.867 1.468 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000264347751 139399062 /nfs/dbraw/zinc/39/90/62/139399062.db2.gz FODKLCTZFPUBBM-OAHLLOKOSA-N 2 2 342.867 1.468 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000571408503 306564794 /nfs/dbraw/zinc/56/47/94/306564794.db2.gz QWLZAQWBKWKNHC-UHFFFAOYSA-N 2 2 336.432 1.667 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000571657535 306571531 /nfs/dbraw/zinc/57/15/31/306571531.db2.gz ZWVOKZUEXMIQHD-SFHVURJKSA-N 2 2 331.464 1.611 20 0 EDADLP COc1cc(NC(=O)C[N@H+](C)CCn2cc[nH+]c2C)cc(OC)c1 ZINC000270847864 140181946 /nfs/dbraw/zinc/18/19/46/140181946.db2.gz HEZSLZZPJWJWSL-UHFFFAOYSA-N 2 2 332.404 1.779 20 0 EDADLP COc1cc(NC(=O)C[N@@H+](C)CCn2cc[nH+]c2C)cc(OC)c1 ZINC000270847864 140181948 /nfs/dbraw/zinc/18/19/48/140181948.db2.gz HEZSLZZPJWJWSL-UHFFFAOYSA-N 2 2 332.404 1.779 20 0 EDADLP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CCN1c1nccn2cnnc12 ZINC000271320350 140277893 /nfs/dbraw/zinc/27/78/93/140277893.db2.gz SZINIEAFANWSIB-HUUCEWRRSA-N 2 2 329.452 1.119 20 0 EDADLP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CCN1c1nccn2cnnc12 ZINC000271320350 140277895 /nfs/dbraw/zinc/27/78/95/140277895.db2.gz SZINIEAFANWSIB-HUUCEWRRSA-N 2 2 329.452 1.119 20 0 EDADLP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CCN1c1nccn2cnnc12 ZINC000271320350 140277897 /nfs/dbraw/zinc/27/78/97/140277897.db2.gz SZINIEAFANWSIB-HUUCEWRRSA-N 2 2 329.452 1.119 20 0 EDADLP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CCN1c1nccn2cnnc12 ZINC000271320350 140277899 /nfs/dbraw/zinc/27/78/99/140277899.db2.gz SZINIEAFANWSIB-HUUCEWRRSA-N 2 2 329.452 1.119 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271668003 140330588 /nfs/dbraw/zinc/33/05/88/140330588.db2.gz HLPREGRPQHKDKE-QGZVFWFLSA-N 2 2 333.432 1.791 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271668003 140330589 /nfs/dbraw/zinc/33/05/89/140330589.db2.gz HLPREGRPQHKDKE-QGZVFWFLSA-N 2 2 333.432 1.791 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[C@@H](C)C[NH2+]1 ZINC000331608447 141056369 /nfs/dbraw/zinc/05/63/69/141056369.db2.gz RCEXCUNPIYXCDB-CABCVRRESA-N 2 2 331.464 1.964 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000331837774 141086985 /nfs/dbraw/zinc/08/69/85/141086985.db2.gz CJBCPBDHLYSDAA-OAHLLOKOSA-N 2 2 334.464 1.170 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332280416 141155264 /nfs/dbraw/zinc/15/52/64/141155264.db2.gz HWVYFWWBQUILJI-JKSUJKDBSA-N 2 2 339.480 1.347 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332280416 141155265 /nfs/dbraw/zinc/15/52/65/141155265.db2.gz HWVYFWWBQUILJI-JKSUJKDBSA-N 2 2 339.480 1.347 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000332526714 141196529 /nfs/dbraw/zinc/19/65/29/141196529.db2.gz SOOBTUJQNOBBQT-STQMWFEESA-N 2 2 333.436 1.441 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000332751107 141236078 /nfs/dbraw/zinc/23/60/78/141236078.db2.gz AXRLVSNHRWQIQJ-CVEARBPZSA-N 2 2 349.479 1.656 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000332751107 141236079 /nfs/dbraw/zinc/23/60/79/141236079.db2.gz AXRLVSNHRWQIQJ-CVEARBPZSA-N 2 2 349.479 1.656 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333094910 141262935 /nfs/dbraw/zinc/26/29/35/141262935.db2.gz CYHAYCFZLJJKFH-JSGCOSHPSA-N 2 2 333.436 1.489 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC000333134591 141269687 /nfs/dbraw/zinc/26/96/87/141269687.db2.gz BJJGVMCHYXQGEQ-SJORKVTESA-N 2 2 345.491 1.654 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC000333134591 141269688 /nfs/dbraw/zinc/26/96/88/141269688.db2.gz BJJGVMCHYXQGEQ-SJORKVTESA-N 2 2 345.491 1.654 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333248042 141287434 /nfs/dbraw/zinc/28/74/34/141287434.db2.gz BZTQZDHLIRBDQV-AWEZNQCLSA-N 2 2 331.420 1.127 20 0 EDADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333426058 141316224 /nfs/dbraw/zinc/31/62/24/141316224.db2.gz TYECFUNSTODLOQ-CALCHBBNSA-N 2 2 343.475 1.823 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333575451 141339513 /nfs/dbraw/zinc/33/95/13/141339513.db2.gz SOJFDWMIIZDRJJ-DZGCQCFKSA-N 2 2 338.477 1.125 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000333599709 141343106 /nfs/dbraw/zinc/34/31/06/141343106.db2.gz QHHBRGRSLIBFBF-QZTJIDSGSA-N 2 2 346.475 1.951 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c[nH+]1 ZINC000333707509 141362402 /nfs/dbraw/zinc/36/24/02/141362402.db2.gz SJNZJAGJWLCLMJ-NVXWUHKLSA-N 2 2 332.448 1.703 20 0 EDADLP CCN1CC[NH+]([C@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000333866447 141397380 /nfs/dbraw/zinc/39/73/80/141397380.db2.gz TVAZRAWBJGVQFE-INIZCTEOSA-N 2 2 337.512 1.069 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000345698398 143122921 /nfs/dbraw/zinc/12/29/21/143122921.db2.gz FBPNJAKTPRRMRR-AWEZNQCLSA-N 2 2 347.463 1.785 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000345698398 143122922 /nfs/dbraw/zinc/12/29/22/143122922.db2.gz FBPNJAKTPRRMRR-AWEZNQCLSA-N 2 2 347.463 1.785 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000345718362 143125188 /nfs/dbraw/zinc/12/51/88/143125188.db2.gz OSQGILWNLSIXSH-NWDGAFQWSA-N 2 2 347.431 1.562 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000345758054 143129716 /nfs/dbraw/zinc/12/97/16/143129716.db2.gz KMOMRYRBAPHDCX-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000345758054 143129715 /nfs/dbraw/zinc/12/97/15/143129715.db2.gz KMOMRYRBAPHDCX-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[C@@H]2CCOC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000345844176 143138978 /nfs/dbraw/zinc/13/89/78/143138978.db2.gz CYIZCAFTRGBBGX-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[C@@H]2CCOC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000345844176 143138979 /nfs/dbraw/zinc/13/89/79/143138979.db2.gz CYIZCAFTRGBBGX-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H](C)C1 ZINC000346132777 143171078 /nfs/dbraw/zinc/17/10/78/143171078.db2.gz ARQIJHURZKXDSK-BBWFWOEESA-N 2 2 335.492 1.430 20 0 EDADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H](C)C1 ZINC000346132777 143171079 /nfs/dbraw/zinc/17/10/79/143171079.db2.gz ARQIJHURZKXDSK-BBWFWOEESA-N 2 2 335.492 1.430 20 0 EDADLP C(CC[NH+]1CCOCC1)Cc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000346795338 143246439 /nfs/dbraw/zinc/24/64/39/143246439.db2.gz QFCLPQSVQJKJMT-LSDHHAIUSA-N 2 2 336.436 1.260 20 0 EDADLP C(CC[NH+]1CCOCC1)Cc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000346795338 143246440 /nfs/dbraw/zinc/24/64/40/143246440.db2.gz QFCLPQSVQJKJMT-LSDHHAIUSA-N 2 2 336.436 1.260 20 0 EDADLP Cc1cnn(CC[N@@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)c1 ZINC000346919256 143260835 /nfs/dbraw/zinc/26/08/35/143260835.db2.gz JGKIRPOTHJWVDZ-SJLPKXTDSA-N 2 2 330.480 1.940 20 0 EDADLP Cc1cnn(CC[N@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)c1 ZINC000346919256 143260836 /nfs/dbraw/zinc/26/08/36/143260836.db2.gz JGKIRPOTHJWVDZ-SJLPKXTDSA-N 2 2 330.480 1.940 20 0 EDADLP Cc1cnn(CC[NH+](C)C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1 ZINC000346919256 143260837 /nfs/dbraw/zinc/26/08/37/143260837.db2.gz JGKIRPOTHJWVDZ-SJLPKXTDSA-N 2 2 330.480 1.940 20 0 EDADLP Cc1cnn(CC[NH+](C)C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1 ZINC000346919256 143260838 /nfs/dbraw/zinc/26/08/38/143260838.db2.gz JGKIRPOTHJWVDZ-SJLPKXTDSA-N 2 2 330.480 1.940 20 0 EDADLP CC[C@H](C)[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000347449393 143322769 /nfs/dbraw/zinc/32/27/69/143322769.db2.gz FOHVZZZSQYHNKW-HNNXBMFYSA-N 2 2 339.505 1.485 20 0 EDADLP CC[C@H](C)[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000347449393 143322770 /nfs/dbraw/zinc/32/27/70/143322770.db2.gz FOHVZZZSQYHNKW-HNNXBMFYSA-N 2 2 339.505 1.485 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccn(C(F)F)n2)CC1 ZINC000347715004 143353233 /nfs/dbraw/zinc/35/32/33/143353233.db2.gz FUQXUSXLYWGNAW-UHFFFAOYSA-N 2 2 329.395 1.168 20 0 EDADLP CCOCC[N@@H+]1CCN(Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C ZINC000347822017 143367226 /nfs/dbraw/zinc/36/72/26/143367226.db2.gz SXBHTQUECMZDAD-AWEZNQCLSA-N 2 2 326.510 1.747 20 0 EDADLP CCOCC[N@H+]1CCN(Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C ZINC000347822017 143367227 /nfs/dbraw/zinc/36/72/27/143367227.db2.gz SXBHTQUECMZDAD-AWEZNQCLSA-N 2 2 326.510 1.747 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000572944514 306604493 /nfs/dbraw/zinc/60/44/93/306604493.db2.gz GFUITBKJOGRAQY-HZPDHXFCSA-N 2 2 331.464 1.297 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369789972 155179149 /nfs/dbraw/zinc/17/91/49/155179149.db2.gz JYNMFNOUSLZVHS-BHYGNILZSA-N 2 2 338.496 1.412 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369789972 155179150 /nfs/dbraw/zinc/17/91/50/155179150.db2.gz JYNMFNOUSLZVHS-BHYGNILZSA-N 2 2 338.496 1.412 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000369819504 155189644 /nfs/dbraw/zinc/18/96/44/155189644.db2.gz OJMKEQZRVAINPV-AWEZNQCLSA-N 2 2 334.464 1.429 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000369819504 155189647 /nfs/dbraw/zinc/18/96/47/155189647.db2.gz OJMKEQZRVAINPV-AWEZNQCLSA-N 2 2 334.464 1.429 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN([C@H](CC)C(=O)OCC)CC2)CC1 ZINC000369824358 155191325 /nfs/dbraw/zinc/19/13/25/155191325.db2.gz AQFTZWBMHXNGQC-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+]([C@H](CC)C(=O)OCC)CC2)CC1 ZINC000369824358 155191328 /nfs/dbraw/zinc/19/13/28/155191328.db2.gz AQFTZWBMHXNGQC-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CCC[C@@H](CCO)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369850497 155203925 /nfs/dbraw/zinc/20/39/25/155203925.db2.gz GXOHZGYRLPLKHR-HOTGVXAUSA-N 2 2 340.512 1.253 20 0 EDADLP CCC[C@@H](CCO)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369850497 155203932 /nfs/dbraw/zinc/20/39/32/155203932.db2.gz GXOHZGYRLPLKHR-HOTGVXAUSA-N 2 2 340.512 1.253 20 0 EDADLP CO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C12CCC2 ZINC000573322311 306618636 /nfs/dbraw/zinc/61/86/36/306618636.db2.gz AXPQAPWGPPMEHU-RRFJBIMHSA-N 2 2 332.448 1.458 20 0 EDADLP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000369899568 155222448 /nfs/dbraw/zinc/22/24/48/155222448.db2.gz IBFYFCWDAQFUFO-UHFFFAOYSA-N 2 2 345.447 1.313 20 0 EDADLP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C1CCN(c2cccc[nH+]2)CC1 ZINC000369899568 155222452 /nfs/dbraw/zinc/22/24/52/155222452.db2.gz IBFYFCWDAQFUFO-UHFFFAOYSA-N 2 2 345.447 1.313 20 0 EDADLP CC[C@@H](c1nnc(SCCF)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000340588626 149055390 /nfs/dbraw/zinc/05/53/90/149055390.db2.gz IXOPXQFXWUVQMI-ZDUSSCGKSA-N 2 2 345.488 1.685 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000416897358 304354115 /nfs/dbraw/zinc/35/41/15/304354115.db2.gz XPARLVQEEQEXPV-HNNXBMFYSA-N 2 2 340.418 1.792 20 0 EDADLP CC[N@H+](CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CC1 ZINC000352751837 149149620 /nfs/dbraw/zinc/14/96/20/149149620.db2.gz HTBSRRPIRYJKPD-UHFFFAOYSA-N 2 2 328.420 1.932 20 0 EDADLP CC[N@@H+](CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CC1 ZINC000352751837 149149626 /nfs/dbraw/zinc/14/96/26/149149626.db2.gz HTBSRRPIRYJKPD-UHFFFAOYSA-N 2 2 328.420 1.932 20 0 EDADLP C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)[NH+]1CCOCC1 ZINC000352817858 149178005 /nfs/dbraw/zinc/17/80/05/149178005.db2.gz JJIPLVDCRUVPQT-UIJGJVKASA-N 2 2 338.496 1.362 20 0 EDADLP C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)[NH+]1CCOCC1 ZINC000352817858 149178009 /nfs/dbraw/zinc/17/80/09/149178009.db2.gz JJIPLVDCRUVPQT-UIJGJVKASA-N 2 2 338.496 1.362 20 0 EDADLP CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000352941972 149223775 /nfs/dbraw/zinc/22/37/75/149223775.db2.gz IVPBTZULGINFMZ-KRWDZBQOSA-N 2 2 326.444 1.932 20 0 EDADLP CC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000352941972 149223777 /nfs/dbraw/zinc/22/37/77/149223777.db2.gz IVPBTZULGINFMZ-KRWDZBQOSA-N 2 2 326.444 1.932 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)CCO1 ZINC000353009945 149252267 /nfs/dbraw/zinc/25/22/67/149252267.db2.gz SIGMCABCYDCIFQ-JSGCOSHPSA-N 2 2 325.363 1.892 20 0 EDADLP CCC[C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC[N@H+]1CCOC ZINC000353265831 149346320 /nfs/dbraw/zinc/34/63/20/149346320.db2.gz MXJBYRGSXDCDGV-INIZCTEOSA-N 2 2 349.479 1.250 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000573550028 306623816 /nfs/dbraw/zinc/62/38/16/306623816.db2.gz DFLWLWZRHKJMGE-PHNROFDPSA-N 2 2 349.450 1.702 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000416975041 304359023 /nfs/dbraw/zinc/35/90/23/304359023.db2.gz NIJLAWMHDIHMPS-GDBMZVCRSA-N 2 2 347.463 1.330 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000354905117 150024053 /nfs/dbraw/zinc/02/40/53/150024053.db2.gz KEVDOGNINMBANP-LYRGGWFBSA-N 2 2 340.418 1.959 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000354905117 150024058 /nfs/dbraw/zinc/02/40/58/150024058.db2.gz KEVDOGNINMBANP-LYRGGWFBSA-N 2 2 340.418 1.959 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000354907385 150025451 /nfs/dbraw/zinc/02/54/51/150025451.db2.gz DYBPPKNVLSBBMD-KRWDZBQOSA-N 2 2 346.475 1.540 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000354907385 150025453 /nfs/dbraw/zinc/02/54/53/150025453.db2.gz DYBPPKNVLSBBMD-KRWDZBQOSA-N 2 2 346.475 1.540 20 0 EDADLP Cc1nn(C)cc1C[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354935985 150041177 /nfs/dbraw/zinc/04/11/77/150041177.db2.gz TYMOXDRQVQCUKY-JKSUJKDBSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1nn(C)cc1C[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354935985 150041180 /nfs/dbraw/zinc/04/11/80/150041180.db2.gz TYMOXDRQVQCUKY-JKSUJKDBSA-N 2 2 334.443 1.506 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@]2(C)CCOC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355095848 150114688 /nfs/dbraw/zinc/11/46/88/150114688.db2.gz CGSYHWDIQHOGQS-MAUKXSAKSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@@]2(C)CCOC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355095848 150114690 /nfs/dbraw/zinc/11/46/90/150114690.db2.gz CGSYHWDIQHOGQS-MAUKXSAKSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355101818 150117193 /nfs/dbraw/zinc/11/71/93/150117193.db2.gz ISINOOHHAZTCJR-CVEARBPZSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355101818 150117195 /nfs/dbraw/zinc/11/71/95/150117195.db2.gz ISINOOHHAZTCJR-CVEARBPZSA-N 3 2 339.528 1.137 20 0 EDADLP CC(C)[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000355149238 150141797 /nfs/dbraw/zinc/14/17/97/150141797.db2.gz PVSBLPBXZVTQAA-YESZJQIVSA-N 2 2 325.497 1.722 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000355658472 150352801 /nfs/dbraw/zinc/35/28/01/150352801.db2.gz KVBVMAPLBMNVCK-CABCVRRESA-N 2 2 348.491 1.865 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000355658472 150352804 /nfs/dbraw/zinc/35/28/04/150352804.db2.gz KVBVMAPLBMNVCK-CABCVRRESA-N 2 2 348.491 1.865 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000355658472 150352805 /nfs/dbraw/zinc/35/28/05/150352805.db2.gz KVBVMAPLBMNVCK-CABCVRRESA-N 2 2 348.491 1.865 20 0 EDADLP CN(C)c1nc(N(C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cc[nH+]1 ZINC000357690584 151117380 /nfs/dbraw/zinc/11/73/80/151117380.db2.gz ZZVZFGYHDMRLIY-KGLIPLIRSA-N 2 2 347.442 1.325 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000357831169 151165022 /nfs/dbraw/zinc/16/50/22/151165022.db2.gz OSJOFIRACTYHCO-CVEARBPZSA-N 2 2 349.479 1.263 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000357922783 151197798 /nfs/dbraw/zinc/19/77/98/151197798.db2.gz UPPGYULBOHQQNY-QAPCUYQASA-N 2 2 337.508 1.890 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000357922783 151197799 /nfs/dbraw/zinc/19/77/99/151197799.db2.gz UPPGYULBOHQQNY-QAPCUYQASA-N 2 2 337.508 1.890 20 0 EDADLP C[C@H](CCC1CCCC1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358154175 151289478 /nfs/dbraw/zinc/28/94/78/151289478.db2.gz NGCWGBPNIUEZSD-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C)CC2)s1 ZINC000358216572 151308313 /nfs/dbraw/zinc/30/83/13/151308313.db2.gz GFWCELMDDMGMHK-UHFFFAOYSA-N 2 2 345.534 1.962 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000358260691 151319847 /nfs/dbraw/zinc/31/98/47/151319847.db2.gz VPYUMNZJXFBLNY-LJQANCHMSA-N 3 2 335.467 1.489 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000358260691 151319849 /nfs/dbraw/zinc/31/98/49/151319849.db2.gz VPYUMNZJXFBLNY-LJQANCHMSA-N 3 2 335.467 1.489 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OC ZINC000358341240 151343144 /nfs/dbraw/zinc/34/31/44/151343144.db2.gz QLSZKYBGCPOBRV-WFVVYAPDSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OC ZINC000358341240 151343145 /nfs/dbraw/zinc/34/31/45/151343145.db2.gz QLSZKYBGCPOBRV-WFVVYAPDSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000358392954 151360024 /nfs/dbraw/zinc/36/00/24/151360024.db2.gz FWYXDNNBNMZYQP-HEHGZKQESA-N 2 2 325.478 1.538 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000358392954 151360026 /nfs/dbraw/zinc/36/00/26/151360026.db2.gz FWYXDNNBNMZYQP-HEHGZKQESA-N 2 2 325.478 1.538 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)n1 ZINC000358411930 151366184 /nfs/dbraw/zinc/36/61/84/151366184.db2.gz RLBAPOAZDTWMHB-OAHLLOKOSA-N 2 2 339.484 1.234 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)n1 ZINC000358411930 151366187 /nfs/dbraw/zinc/36/61/87/151366187.db2.gz RLBAPOAZDTWMHB-OAHLLOKOSA-N 2 2 339.484 1.234 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000360344666 152001790 /nfs/dbraw/zinc/00/17/90/152001790.db2.gz OGTOGPXLUPNWAA-SJLPKXTDSA-N 2 2 330.476 1.499 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000360344666 152001793 /nfs/dbraw/zinc/00/17/93/152001793.db2.gz OGTOGPXLUPNWAA-SJLPKXTDSA-N 2 2 330.476 1.499 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000360564733 152098586 /nfs/dbraw/zinc/09/85/86/152098586.db2.gz RSRUONZHAIPEQF-FXAWDEMLSA-N 2 2 345.487 1.956 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000360564733 152098591 /nfs/dbraw/zinc/09/85/91/152098591.db2.gz RSRUONZHAIPEQF-FXAWDEMLSA-N 2 2 345.487 1.956 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360569280 152101597 /nfs/dbraw/zinc/10/15/97/152101597.db2.gz MOCSJFGMUYIABO-IBGZPJMESA-N 2 2 331.460 1.775 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360569280 152101601 /nfs/dbraw/zinc/10/16/01/152101601.db2.gz MOCSJFGMUYIABO-IBGZPJMESA-N 2 2 331.460 1.775 20 0 EDADLP COCC1=CC[NH+](CC2(C[N@H+]3CC=C(COC)CC3)COC2)CC1 ZINC000185874605 292261251 /nfs/dbraw/zinc/26/12/51/292261251.db2.gz PEANJZAYYAHMQO-UHFFFAOYSA-N 2 2 336.476 1.560 20 0 EDADLP COCC1=CC[NH+](CC2(C[N@@H+]3CC=C(COC)CC3)COC2)CC1 ZINC000185874605 292261254 /nfs/dbraw/zinc/26/12/54/292261254.db2.gz PEANJZAYYAHMQO-UHFFFAOYSA-N 2 2 336.476 1.560 20 0 EDADLP CC[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000360836073 152224284 /nfs/dbraw/zinc/22/42/84/152224284.db2.gz UVJMWZMXKFTCHU-JKSUJKDBSA-N 2 2 337.414 1.937 20 0 EDADLP CC[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000360836073 152224286 /nfs/dbraw/zinc/22/42/86/152224286.db2.gz UVJMWZMXKFTCHU-JKSUJKDBSA-N 2 2 337.414 1.937 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cccc3cccnc32)CC1 ZINC000360893663 152243499 /nfs/dbraw/zinc/24/34/99/152243499.db2.gz GHRWGXOUCDWBGW-UHFFFAOYSA-N 2 2 340.471 1.920 20 0 EDADLP COc1ccc(F)cc1C[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000360982690 152270268 /nfs/dbraw/zinc/27/02/68/152270268.db2.gz KMQCPDXHHHXUDO-UHFFFAOYSA-N 2 2 339.455 1.314 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](CO)c2cccnc2)CC1 ZINC000361120841 152312310 /nfs/dbraw/zinc/31/23/10/152312310.db2.gz DBFZOBMSWROINE-INIZCTEOSA-N 2 2 335.448 1.165 20 0 EDADLP Cc1nnc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1C ZINC000363635679 153018819 /nfs/dbraw/zinc/01/88/19/153018819.db2.gz KXYTXGQTFYFVOQ-UHFFFAOYSA-N 2 2 329.452 1.631 20 0 EDADLP Cc1nnc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1C ZINC000363635679 153018820 /nfs/dbraw/zinc/01/88/20/153018820.db2.gz KXYTXGQTFYFVOQ-UHFFFAOYSA-N 2 2 329.452 1.631 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC000363708463 153035731 /nfs/dbraw/zinc/03/57/31/153035731.db2.gz SUEYGCZZJQITGS-FXUDXRNXSA-N 2 2 347.463 1.283 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC000363708463 153035735 /nfs/dbraw/zinc/03/57/35/153035735.db2.gz SUEYGCZZJQITGS-FXUDXRNXSA-N 2 2 347.463 1.283 20 0 EDADLP CCOCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363822475 153066761 /nfs/dbraw/zinc/06/67/61/153066761.db2.gz OEEYRXHVPQAOOB-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP CCOCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363822475 153066764 /nfs/dbraw/zinc/06/67/64/153066764.db2.gz OEEYRXHVPQAOOB-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000363993379 153116762 /nfs/dbraw/zinc/11/67/62/153116762.db2.gz CKQPZHHXRVDFGM-CABCVRRESA-N 2 2 328.420 1.597 20 0 EDADLP CC1CC[NH+](CCCNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000364264774 153190900 /nfs/dbraw/zinc/19/09/00/153190900.db2.gz FVBRLJVUJVMIPM-GOSISDBHSA-N 2 2 337.508 1.726 20 0 EDADLP CC1CC[NH+](CCCNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000364264774 153190903 /nfs/dbraw/zinc/19/09/03/153190903.db2.gz FVBRLJVUJVMIPM-GOSISDBHSA-N 2 2 337.508 1.726 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000364286974 153197428 /nfs/dbraw/zinc/19/74/28/153197428.db2.gz GZWSBJNEAFLIMC-QGZVFWFLSA-N 2 2 334.464 1.589 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000364286974 153197429 /nfs/dbraw/zinc/19/74/29/153197429.db2.gz GZWSBJNEAFLIMC-QGZVFWFLSA-N 2 2 334.464 1.589 20 0 EDADLP CCCCC[C@H](C)NC(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364566512 153273928 /nfs/dbraw/zinc/27/39/28/153273928.db2.gz XBFNFEZLGSLKSA-ROUUACIJSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCC[C@H](C)NC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364566512 153273930 /nfs/dbraw/zinc/27/39/30/153273930.db2.gz XBFNFEZLGSLKSA-ROUUACIJSA-N 2 2 338.540 1.783 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000364734489 153319070 /nfs/dbraw/zinc/31/90/70/153319070.db2.gz LANLDMVPDJTAJC-GMBSWORKSA-N 2 2 342.443 1.526 20 0 EDADLP Cc1nc(N2CCC[N@@H+](CC(=O)NC(C)C)CC2)c2c([nH+]1)CCCC2 ZINC000364925792 153371654 /nfs/dbraw/zinc/37/16/54/153371654.db2.gz WJEDOXHQEVVGJP-UHFFFAOYSA-N 2 2 345.491 1.701 20 0 EDADLP Cc1nc(N2CCC[N@H+](CC(=O)NC(C)C)CC2)c2c([nH+]1)CCCC2 ZINC000364925792 153371658 /nfs/dbraw/zinc/37/16/58/153371658.db2.gz WJEDOXHQEVVGJP-UHFFFAOYSA-N 2 2 345.491 1.701 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@H]2C1 ZINC000364928280 153372679 /nfs/dbraw/zinc/37/26/79/153372679.db2.gz GWBXWXOACPOKPK-NEPJUHHUSA-N 2 2 345.369 1.681 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@H]2C1 ZINC000364928280 153372681 /nfs/dbraw/zinc/37/26/81/153372681.db2.gz GWBXWXOACPOKPK-NEPJUHHUSA-N 2 2 345.369 1.681 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417209444 304384543 /nfs/dbraw/zinc/38/45/43/304384543.db2.gz CJNQCKYWERVRSR-SNVBAGLBSA-N 2 2 340.225 1.633 20 0 EDADLP [NH3+]CCCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417225839 304385511 /nfs/dbraw/zinc/38/55/11/304385511.db2.gz SWVZRHXSMGVWAC-UHFFFAOYSA-N 2 2 326.198 1.245 20 0 EDADLP Cc1ccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000367396509 154105032 /nfs/dbraw/zinc/10/50/32/154105032.db2.gz KPYLEMJUSXYBFG-MRXNPFEDSA-N 2 2 331.460 1.528 20 0 EDADLP Cc1ccc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000367396509 154105035 /nfs/dbraw/zinc/10/50/35/154105035.db2.gz KPYLEMJUSXYBFG-MRXNPFEDSA-N 2 2 331.460 1.528 20 0 EDADLP C[NH+](C)CC1(CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCC1 ZINC000368039624 154380737 /nfs/dbraw/zinc/38/07/37/154380737.db2.gz GVMLSZFZZFOFNG-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+](C)CC1(CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCC1 ZINC000368039624 154380739 /nfs/dbraw/zinc/38/07/39/154380739.db2.gz GVMLSZFZZFOFNG-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369421112 155024376 /nfs/dbraw/zinc/02/43/76/155024376.db2.gz NUYRFQDZMASMNN-GDBMZVCRSA-N 2 2 325.416 1.966 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000369421112 155024379 /nfs/dbraw/zinc/02/43/79/155024379.db2.gz NUYRFQDZMASMNN-GDBMZVCRSA-N 2 2 325.416 1.966 20 0 EDADLP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000369514527 155065913 /nfs/dbraw/zinc/06/59/13/155065913.db2.gz BXUCSYTVMBHORU-UONOGXRCSA-N 2 2 346.431 1.504 20 0 EDADLP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000369514527 155065917 /nfs/dbraw/zinc/06/59/17/155065917.db2.gz BXUCSYTVMBHORU-UONOGXRCSA-N 2 2 346.431 1.504 20 0 EDADLP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000369514525 155066380 /nfs/dbraw/zinc/06/63/80/155066380.db2.gz BXUCSYTVMBHORU-KBPBESRZSA-N 2 2 346.431 1.504 20 0 EDADLP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000369514525 155066385 /nfs/dbraw/zinc/06/63/85/155066385.db2.gz BXUCSYTVMBHORU-KBPBESRZSA-N 2 2 346.431 1.504 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000369579988 155097291 /nfs/dbraw/zinc/09/72/91/155097291.db2.gz WVHMGVJXKCMFIK-JKSUJKDBSA-N 2 2 349.479 1.198 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000369579988 155097295 /nfs/dbraw/zinc/09/72/95/155097295.db2.gz WVHMGVJXKCMFIK-JKSUJKDBSA-N 2 2 349.479 1.198 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601181 155106534 /nfs/dbraw/zinc/10/65/34/155106534.db2.gz YABVXEDTVNTUTH-PVAVHDDUSA-N 2 2 348.491 1.561 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601181 155106538 /nfs/dbraw/zinc/10/65/38/155106538.db2.gz YABVXEDTVNTUTH-PVAVHDDUSA-N 2 2 348.491 1.561 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601181 155106539 /nfs/dbraw/zinc/10/65/39/155106539.db2.gz YABVXEDTVNTUTH-PVAVHDDUSA-N 2 2 348.491 1.561 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601181 155106543 /nfs/dbraw/zinc/10/65/43/155106543.db2.gz YABVXEDTVNTUTH-PVAVHDDUSA-N 2 2 348.491 1.561 20 0 EDADLP CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000371665405 156051997 /nfs/dbraw/zinc/05/19/97/156051997.db2.gz MFPDORUVLOZJMV-LZLYRXPVSA-N 2 2 337.508 1.866 20 0 EDADLP CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000371665405 156052000 /nfs/dbraw/zinc/05/20/00/156052000.db2.gz MFPDORUVLOZJMV-LZLYRXPVSA-N 2 2 337.508 1.866 20 0 EDADLP CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000372042027 156220829 /nfs/dbraw/zinc/22/08/29/156220829.db2.gz MCJKVEZWWMYSEA-UHFFFAOYSA-N 2 2 341.415 1.016 20 0 EDADLP CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000372042027 156220833 /nfs/dbraw/zinc/22/08/33/156220833.db2.gz MCJKVEZWWMYSEA-UHFFFAOYSA-N 2 2 341.415 1.016 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000372159081 156248288 /nfs/dbraw/zinc/24/82/88/156248288.db2.gz XJWWJEGRLUGSRO-IAGOWNOFSA-N 2 2 347.459 1.282 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000372159081 156248292 /nfs/dbraw/zinc/24/82/92/156248292.db2.gz XJWWJEGRLUGSRO-IAGOWNOFSA-N 2 2 347.459 1.282 20 0 EDADLP COc1ccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000372416717 156379501 /nfs/dbraw/zinc/37/95/01/156379501.db2.gz QGDMUJVKIDQGDT-APWZRJJASA-N 2 2 333.476 1.532 20 0 EDADLP COc1ccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cc1 ZINC000372416717 156379502 /nfs/dbraw/zinc/37/95/02/156379502.db2.gz QGDMUJVKIDQGDT-APWZRJJASA-N 2 2 333.476 1.532 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cc1 ZINC000372416717 156379503 /nfs/dbraw/zinc/37/95/03/156379503.db2.gz QGDMUJVKIDQGDT-APWZRJJASA-N 2 2 333.476 1.532 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cc1 ZINC000372416717 156379504 /nfs/dbraw/zinc/37/95/04/156379504.db2.gz QGDMUJVKIDQGDT-APWZRJJASA-N 2 2 333.476 1.532 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000373845478 157030109 /nfs/dbraw/zinc/03/01/09/157030109.db2.gz ORDJHBFMUQGMGA-OAGGEKHMSA-N 2 2 344.521 1.433 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000373845478 157030110 /nfs/dbraw/zinc/03/01/10/157030110.db2.gz ORDJHBFMUQGMGA-OAGGEKHMSA-N 2 2 344.521 1.433 20 0 EDADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211270 157197091 /nfs/dbraw/zinc/19/70/91/157197091.db2.gz ZCYZRAYMCJUQOG-DZGCQCFKSA-N 2 2 347.463 1.994 20 0 EDADLP C[C@@H]1CN(Cc2ncc(Cl)n2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374253130 157213769 /nfs/dbraw/zinc/21/37/69/157213769.db2.gz FBZYJIBJECWCBS-CYBMUJFWSA-N 2 2 325.888 1.674 20 0 EDADLP C[C@@H]1CN(Cc2ncc(Cl)n2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374253130 157213773 /nfs/dbraw/zinc/21/37/73/157213773.db2.gz FBZYJIBJECWCBS-CYBMUJFWSA-N 2 2 325.888 1.674 20 0 EDADLP COC(=O)c1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374253280 157214298 /nfs/dbraw/zinc/21/42/98/157214298.db2.gz GZASEXMRJWABKZ-LPHOPBHVSA-N 2 2 345.487 1.931 20 0 EDADLP COC(=O)c1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374253280 157214300 /nfs/dbraw/zinc/21/43/00/157214300.db2.gz GZASEXMRJWABKZ-LPHOPBHVSA-N 2 2 345.487 1.931 20 0 EDADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000374344471 157253535 /nfs/dbraw/zinc/25/35/35/157253535.db2.gz FTTAPUDORHVKLS-KRWDZBQOSA-N 2 2 325.497 1.726 20 0 EDADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000374344471 157253538 /nfs/dbraw/zinc/25/35/38/157253538.db2.gz FTTAPUDORHVKLS-KRWDZBQOSA-N 2 2 325.497 1.726 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000374423117 157286273 /nfs/dbraw/zinc/28/62/73/157286273.db2.gz USMFWQRLRZWXIN-OAHLLOKOSA-N 2 2 335.452 1.043 20 0 EDADLP COCC[NH+]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000374423116 157286461 /nfs/dbraw/zinc/28/64/61/157286461.db2.gz USMFWQRLRZWXIN-HNNXBMFYSA-N 2 2 335.452 1.043 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](Cc3cnc4ccccc4c3)CC2)C(=O)C1 ZINC000374731357 157380436 /nfs/dbraw/zinc/38/04/36/157380436.db2.gz JQXQVDODHHYKDX-UHFFFAOYSA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](Cc3cnc4ccccc4c3)CC2)C(=O)C1 ZINC000374731357 157380439 /nfs/dbraw/zinc/38/04/39/157380439.db2.gz JQXQVDODHHYKDX-UHFFFAOYSA-N 2 2 338.455 1.973 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000378071885 158071827 /nfs/dbraw/zinc/07/18/27/158071827.db2.gz LXTGAAOTBHCGSW-SWLSCSKDSA-N 2 2 333.461 1.974 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000378071885 158071829 /nfs/dbraw/zinc/07/18/29/158071829.db2.gz LXTGAAOTBHCGSW-SWLSCSKDSA-N 2 2 333.461 1.974 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N1CCn2c[nH+]cc2C1 ZINC000378093965 158076492 /nfs/dbraw/zinc/07/64/92/158076492.db2.gz IGILMNXYQBFPBM-IRXDYDNUSA-N 2 2 347.463 1.176 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cnn(C)c1 ZINC000378370449 158155768 /nfs/dbraw/zinc/15/57/68/158155768.db2.gz NZEJSLBCEWDKNN-LSDHHAIUSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cnn(C)c1 ZINC000378370449 158155770 /nfs/dbraw/zinc/15/57/70/158155770.db2.gz NZEJSLBCEWDKNN-LSDHHAIUSA-N 2 2 348.495 1.291 20 0 EDADLP COC(=O)c1ccnc(N2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)c1 ZINC000378445281 158175551 /nfs/dbraw/zinc/17/55/51/158175551.db2.gz RMIUKVOACWNMQN-UHFFFAOYSA-N 2 2 343.431 1.667 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000378613351 158219914 /nfs/dbraw/zinc/21/99/14/158219914.db2.gz XWDWZXSUSCKIGQ-YOEHRIQHSA-N 2 2 334.464 1.259 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000378613351 158219917 /nfs/dbraw/zinc/21/99/17/158219917.db2.gz XWDWZXSUSCKIGQ-YOEHRIQHSA-N 2 2 334.464 1.259 20 0 EDADLP C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422941839 304880830 /nfs/dbraw/zinc/88/08/30/304880830.db2.gz VQTVHYHCGNGXOZ-HOCLYGCPSA-N 2 2 325.478 1.226 20 0 EDADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000132025289 286749808 /nfs/dbraw/zinc/74/98/08/286749808.db2.gz VSWKEPDCEHQEMB-HOTGVXAUSA-N 2 2 341.521 1.137 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000352217360 162056610 /nfs/dbraw/zinc/05/66/10/162056610.db2.gz OXHOYSDHIBFEAP-OAHLLOKOSA-N 2 2 348.466 1.545 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000352291584 162098358 /nfs/dbraw/zinc/09/83/58/162098358.db2.gz YMCYJMIUDLHCKW-INIZCTEOSA-N 2 2 339.480 1.348 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000352291584 162098362 /nfs/dbraw/zinc/09/83/62/162098362.db2.gz YMCYJMIUDLHCKW-INIZCTEOSA-N 2 2 339.480 1.348 20 0 EDADLP CCOC(=O)C[NH+]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000352291584 162098365 /nfs/dbraw/zinc/09/83/65/162098365.db2.gz YMCYJMIUDLHCKW-INIZCTEOSA-N 2 2 339.480 1.348 20 0 EDADLP CCOC(=O)C[NH+]1CCCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000352291584 162098366 /nfs/dbraw/zinc/09/83/66/162098366.db2.gz YMCYJMIUDLHCKW-INIZCTEOSA-N 2 2 339.480 1.348 20 0 EDADLP Cc1nc(C(F)(F)F)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000352504628 162217056 /nfs/dbraw/zinc/21/70/56/162217056.db2.gz SLSYGJBLMGPVCY-NSHDSACASA-N 2 2 334.411 1.950 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352509420 162220533 /nfs/dbraw/zinc/22/05/33/162220533.db2.gz KFDIIGNRJQGYCQ-LZLYRXPVSA-N 2 2 330.476 1.232 20 0 EDADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000352519770 162226923 /nfs/dbraw/zinc/22/69/23/162226923.db2.gz RLUJMUXXEHOLJT-PKOBYXMFSA-N 2 2 342.487 1.160 20 0 EDADLP Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)c[nH+]1 ZINC000366452846 162383676 /nfs/dbraw/zinc/38/36/76/162383676.db2.gz VPYCMQIGADLHCL-GOSISDBHSA-N 2 2 325.412 1.960 20 0 EDADLP Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)c[nH+]1 ZINC000366452846 162383680 /nfs/dbraw/zinc/38/36/80/162383680.db2.gz VPYCMQIGADLHCL-GOSISDBHSA-N 2 2 325.412 1.960 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000366715878 287216068 /nfs/dbraw/zinc/21/60/68/287216068.db2.gz BPWCHNGQJCTGIY-ARFHVFGLSA-N 2 2 325.522 1.899 20 0 EDADLP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000366715878 287216069 /nfs/dbraw/zinc/21/60/69/287216069.db2.gz BPWCHNGQJCTGIY-ARFHVFGLSA-N 2 2 325.522 1.899 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000079269114 287299349 /nfs/dbraw/zinc/29/93/49/287299349.db2.gz FFDKYDNGEPYIPA-QGZVFWFLSA-N 2 2 345.491 1.641 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000079269114 287299350 /nfs/dbraw/zinc/29/93/50/287299350.db2.gz FFDKYDNGEPYIPA-QGZVFWFLSA-N 2 2 345.491 1.641 20 0 EDADLP CN(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC[NH+]1CCCC1 ZINC000089898401 287324687 /nfs/dbraw/zinc/32/46/87/287324687.db2.gz QJUSDEZJBLSVEI-UHFFFAOYSA-N 2 2 345.491 1.148 20 0 EDADLP C[C@H](Cn1cccn1)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000122309651 222057480 /nfs/dbraw/zinc/05/74/80/222057480.db2.gz WVRLYNURLBCQGK-QGZVFWFLSA-N 2 2 344.459 1.772 20 0 EDADLP C[C@H](Oc1cccc(CO)c1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000132359120 287524176 /nfs/dbraw/zinc/52/41/76/287524176.db2.gz JNIMDMRKSNPSKK-HNNXBMFYSA-N 2 2 349.475 1.088 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000151289955 287594719 /nfs/dbraw/zinc/59/47/19/287594719.db2.gz YXNWZLKXTPPLFJ-UHFFFAOYSA-N 2 2 331.395 1.550 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000174290863 533687119 /nfs/dbraw/zinc/68/71/19/533687119.db2.gz DWKKJQHZMUKVKR-LSDHHAIUSA-N 2 2 328.416 1.399 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000174290863 533687129 /nfs/dbraw/zinc/68/71/29/533687129.db2.gz DWKKJQHZMUKVKR-LSDHHAIUSA-N 2 2 328.416 1.399 20 0 EDADLP C[NH+]1CCC(CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000273280151 268013989 /nfs/dbraw/zinc/01/39/89/268013989.db2.gz QGUMNINGZGSLDK-LJQANCHMSA-N 2 2 345.487 1.908 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000274380909 268131695 /nfs/dbraw/zinc/13/16/95/268131695.db2.gz IWCSPMZZCKUXOF-UHFFFAOYSA-N 2 2 328.840 1.905 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000274380909 268131696 /nfs/dbraw/zinc/13/16/96/268131696.db2.gz IWCSPMZZCKUXOF-UHFFFAOYSA-N 2 2 328.840 1.905 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278182672 268623518 /nfs/dbraw/zinc/62/35/18/268623518.db2.gz LTGSAUCWFCJOTA-UHFFFAOYSA-N 2 2 332.404 1.019 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N2CC([NH+](C)C)C2)c1)[NH+]1CCOCC1 ZINC000273379416 273036064 /nfs/dbraw/zinc/03/60/64/273036064.db2.gz HYYRQJNNBZQAKQ-AWEZNQCLSA-N 2 2 332.448 1.858 20 0 EDADLP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H]1CC[NH2+]C1 ZINC000647882204 452620994 /nfs/dbraw/zinc/62/09/94/452620994.db2.gz WGMAXBCEHUEXDL-AWEZNQCLSA-N 2 2 326.462 1.400 20 0 EDADLP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H]1CC[NH2+]C1 ZINC000647882204 452621006 /nfs/dbraw/zinc/62/10/06/452621006.db2.gz WGMAXBCEHUEXDL-AWEZNQCLSA-N 2 2 326.462 1.400 20 0 EDADLP CO[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276996112 273174907 /nfs/dbraw/zinc/17/49/07/273174907.db2.gz NSPSQRWQJOJJQJ-IRXDYDNUSA-N 2 2 346.475 1.668 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000278515741 273265238 /nfs/dbraw/zinc/26/52/38/273265238.db2.gz FNMDRBNEMUQQBO-INIZCTEOSA-N 2 2 346.475 1.396 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000278515741 273265239 /nfs/dbraw/zinc/26/52/39/273265239.db2.gz FNMDRBNEMUQQBO-INIZCTEOSA-N 2 2 346.475 1.396 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1F ZINC000284413780 274193376 /nfs/dbraw/zinc/19/33/76/274193376.db2.gz CEKIETPVSZOPNJ-CXAGYDPISA-N 2 2 332.379 1.677 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000284673155 274288832 /nfs/dbraw/zinc/28/88/32/274288832.db2.gz RABLSEINWOLMLC-CBLJQSSYSA-N 2 2 349.438 1.978 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000369943399 274290755 /nfs/dbraw/zinc/29/07/55/274290755.db2.gz JXGWIQDFDDBROE-SJLPKXTDSA-N 2 2 330.476 1.894 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000369943399 274290757 /nfs/dbraw/zinc/29/07/57/274290757.db2.gz JXGWIQDFDDBROE-SJLPKXTDSA-N 2 2 330.476 1.894 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000369943399 274290760 /nfs/dbraw/zinc/29/07/60/274290760.db2.gz JXGWIQDFDDBROE-SJLPKXTDSA-N 2 2 330.476 1.894 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000369943399 274290763 /nfs/dbraw/zinc/29/07/63/274290763.db2.gz JXGWIQDFDDBROE-SJLPKXTDSA-N 2 2 330.476 1.894 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000333137892 276065919 /nfs/dbraw/zinc/06/59/19/276065919.db2.gz BVZCOLQEPFNNFV-RRFJBIMHSA-N 2 2 345.491 1.999 20 0 EDADLP CCCCN(CC)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109754956 276233246 /nfs/dbraw/zinc/23/32/46/276233246.db2.gz PWAPDECMXZACGA-SFHVURJKSA-N 2 2 338.540 1.737 20 0 EDADLP CCCCN(CC)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109754956 276233248 /nfs/dbraw/zinc/23/32/48/276233248.db2.gz PWAPDECMXZACGA-SFHVURJKSA-N 2 2 338.540 1.737 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1cccc(Cl)c1 ZINC000345999705 276775267 /nfs/dbraw/zinc/77/52/67/276775267.db2.gz FYYQBQGIYBYLBS-JKSUJKDBSA-N 2 2 336.867 1.059 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CSC3(C)C)C2)CC1 ZINC000374686552 277027599 /nfs/dbraw/zinc/02/75/99/277027599.db2.gz NGGZDNZVMMIGCW-OCCSQVGLSA-N 2 2 326.510 1.348 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CSC3(C)C)C2)CC1 ZINC000374686552 277027600 /nfs/dbraw/zinc/02/76/00/277027600.db2.gz NGGZDNZVMMIGCW-OCCSQVGLSA-N 2 2 326.510 1.348 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000332524871 277041786 /nfs/dbraw/zinc/04/17/86/277041786.db2.gz RIQSUOQMLBBLIO-AWEZNQCLSA-N 2 2 333.436 1.442 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C2)C1 ZINC000339427788 277086389 /nfs/dbraw/zinc/08/63/89/277086389.db2.gz BMRHALOHXLPAHS-SCTDSRPQSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C2)C1 ZINC000339427788 277086390 /nfs/dbraw/zinc/08/63/90/277086390.db2.gz BMRHALOHXLPAHS-SCTDSRPQSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C2)C1 ZINC000339427788 277086391 /nfs/dbraw/zinc/08/63/91/277086391.db2.gz BMRHALOHXLPAHS-SCTDSRPQSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)C2)C1 ZINC000339427788 277086392 /nfs/dbraw/zinc/08/63/92/277086392.db2.gz BMRHALOHXLPAHS-SCTDSRPQSA-N 2 2 335.492 1.574 20 0 EDADLP COC(=O)[C@H](c1cccnc1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355028111 277122890 /nfs/dbraw/zinc/12/28/90/277122890.db2.gz FWPLHZSKZQWUOW-QAPCUYQASA-N 2 2 346.475 1.396 20 0 EDADLP COC(=O)[C@H](c1cccnc1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355028111 277122891 /nfs/dbraw/zinc/12/28/91/277122891.db2.gz FWPLHZSKZQWUOW-QAPCUYQASA-N 2 2 346.475 1.396 20 0 EDADLP COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420976574 277238066 /nfs/dbraw/zinc/23/80/66/277238066.db2.gz QXPMJTSWRZGORQ-LJQANCHMSA-N 2 2 334.460 1.756 20 0 EDADLP COCC[C@@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420976574 277238067 /nfs/dbraw/zinc/23/80/67/277238067.db2.gz QXPMJTSWRZGORQ-LJQANCHMSA-N 2 2 334.460 1.756 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCS(=O)(=O)C1)C2 ZINC000329332638 277270374 /nfs/dbraw/zinc/27/03/74/277270374.db2.gz WTDFCKJZFBKBML-OLZOCXBDSA-N 2 2 325.478 1.662 20 0 EDADLP CC(C)CN(C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000371294965 277370957 /nfs/dbraw/zinc/37/09/57/277370957.db2.gz OAILYAISNGRSBA-OKZBNKHCSA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)CN(C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000371294965 277370958 /nfs/dbraw/zinc/37/09/58/277370958.db2.gz OAILYAISNGRSBA-OKZBNKHCSA-N 2 2 337.508 1.817 20 0 EDADLP COC(=O)[C@H](c1cccnc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180934138 277386631 /nfs/dbraw/zinc/38/66/31/277386631.db2.gz LYMIEVNSWPFDOV-KRWDZBQOSA-N 2 2 334.464 1.254 20 0 EDADLP COC(=O)[C@H](c1cccnc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180934138 277386632 /nfs/dbraw/zinc/38/66/32/277386632.db2.gz LYMIEVNSWPFDOV-KRWDZBQOSA-N 2 2 334.464 1.254 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000286468831 288013540 /nfs/dbraw/zinc/01/35/40/288013540.db2.gz KRPXLJDXZZJFRI-OAHLLOKOSA-N 2 2 342.447 1.608 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000286456848 288010400 /nfs/dbraw/zinc/01/04/00/288010400.db2.gz RDBQRHMEEDPAIM-IRXDYDNUSA-N 2 2 342.443 1.589 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000333809358 278350530 /nfs/dbraw/zinc/35/05/30/278350530.db2.gz PIIGGJWEDXSNJC-CZUORRHYSA-N 2 2 331.464 1.687 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000333809358 278350533 /nfs/dbraw/zinc/35/05/33/278350533.db2.gz PIIGGJWEDXSNJC-CZUORRHYSA-N 2 2 331.464 1.687 20 0 EDADLP CC[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000066988623 279029682 /nfs/dbraw/zinc/02/96/82/279029682.db2.gz ZYXXUGBLXWVNQK-SFHVURJKSA-N 2 2 348.491 1.619 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000066988623 279029684 /nfs/dbraw/zinc/02/96/84/279029684.db2.gz ZYXXUGBLXWVNQK-SFHVURJKSA-N 2 2 348.491 1.619 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343340167 279302646 /nfs/dbraw/zinc/30/26/46/279302646.db2.gz MWCXZUBXMKEOHN-DLBZAZTESA-N 3 2 347.507 1.320 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343340167 279302647 /nfs/dbraw/zinc/30/26/47/279302647.db2.gz MWCXZUBXMKEOHN-DLBZAZTESA-N 3 2 347.507 1.320 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000121820013 279339876 /nfs/dbraw/zinc/33/98/76/279339876.db2.gz DEMIBYUAGFEGPW-WMZOPIPTSA-N 2 2 345.491 1.866 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000121820013 279339877 /nfs/dbraw/zinc/33/98/77/279339877.db2.gz DEMIBYUAGFEGPW-WMZOPIPTSA-N 2 2 345.491 1.866 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@](F)(CO)C1)c1ccccc1 ZINC000287171630 288172370 /nfs/dbraw/zinc/17/23/70/288172370.db2.gz ZQJBKXAGJRTIMF-FUHWJXTLSA-N 2 2 337.439 1.202 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@](F)(CO)C1)c1ccccc1 ZINC000287171630 288172372 /nfs/dbraw/zinc/17/23/72/288172372.db2.gz ZQJBKXAGJRTIMF-FUHWJXTLSA-N 2 2 337.439 1.202 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333551084 279923630 /nfs/dbraw/zinc/92/36/30/279923630.db2.gz KGDDUMCKWTXDAS-OAGGEKHMSA-N 2 2 331.464 1.762 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1)[NH+](C)C ZINC000126402388 280077332 /nfs/dbraw/zinc/07/73/32/280077332.db2.gz FNGVOUWHQANNMS-ROUUACIJSA-N 2 2 333.476 1.825 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(-n2ccnn2)c1 ZINC000287826730 288333024 /nfs/dbraw/zinc/33/30/24/288333024.db2.gz VMZXMLLRTMSJJH-YOEHRIQHSA-N 2 2 342.447 1.258 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(-n2ccnn2)c1 ZINC000287826730 288333025 /nfs/dbraw/zinc/33/30/25/288333025.db2.gz VMZXMLLRTMSJJH-YOEHRIQHSA-N 2 2 342.447 1.258 20 0 EDADLP CC[C@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134571248 288428011 /nfs/dbraw/zinc/42/80/11/288428011.db2.gz PGPSTKJLINCGAM-IEBWSBKVSA-N 2 2 331.460 1.708 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000290597155 288922697 /nfs/dbraw/zinc/92/26/97/288922697.db2.gz OWTBLFQPQXVMJB-NJAFHUGGSA-N 2 2 330.476 1.921 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000290731917 288944055 /nfs/dbraw/zinc/94/40/55/288944055.db2.gz WQVMXFDCXFBYNV-UHFFFAOYSA-N 2 2 345.447 1.395 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000291120990 289004281 /nfs/dbraw/zinc/00/42/81/289004281.db2.gz HHPJPRFOSKXAQH-MRXNPFEDSA-N 2 2 333.480 1.638 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000291120990 289004282 /nfs/dbraw/zinc/00/42/82/289004282.db2.gz HHPJPRFOSKXAQH-MRXNPFEDSA-N 2 2 333.480 1.638 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H](C)OC ZINC000291124794 289004618 /nfs/dbraw/zinc/00/46/18/289004618.db2.gz BCDSJLZFFBRRHB-OAHLLOKOSA-N 2 2 339.505 1.749 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H](C)OC ZINC000291124794 289004619 /nfs/dbraw/zinc/00/46/19/289004619.db2.gz BCDSJLZFFBRRHB-OAHLLOKOSA-N 2 2 339.505 1.749 20 0 EDADLP COCC[C@@H]1COCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000291282846 289030787 /nfs/dbraw/zinc/03/07/87/289030787.db2.gz QNRXDLUTJXYJDR-MSOLQXFVSA-N 2 2 349.475 1.143 20 0 EDADLP COCC[C@@H]1COCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000291282846 289030789 /nfs/dbraw/zinc/03/07/89/289030789.db2.gz QNRXDLUTJXYJDR-MSOLQXFVSA-N 2 2 349.475 1.143 20 0 EDADLP COCC[C@H]1COCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000291282851 289030818 /nfs/dbraw/zinc/03/08/18/289030818.db2.gz QNRXDLUTJXYJDR-ZWKOTPCHSA-N 2 2 349.475 1.143 20 0 EDADLP COCC[C@H]1COCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000291282851 289030819 /nfs/dbraw/zinc/03/08/19/289030819.db2.gz QNRXDLUTJXYJDR-ZWKOTPCHSA-N 2 2 349.475 1.143 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000292034565 289244645 /nfs/dbraw/zinc/24/46/45/289244645.db2.gz HHRBCYSARGINQU-ZWKOTPCHSA-N 2 2 331.460 1.708 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292183493 289282340 /nfs/dbraw/zinc/28/23/40/289282340.db2.gz QTKAVBDDGCLLQH-IEBWSBKVSA-N 2 2 332.444 1.657 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292183493 289282344 /nfs/dbraw/zinc/28/23/44/289282344.db2.gz QTKAVBDDGCLLQH-IEBWSBKVSA-N 2 2 332.444 1.657 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292183493 289282346 /nfs/dbraw/zinc/28/23/46/289282346.db2.gz QTKAVBDDGCLLQH-IEBWSBKVSA-N 2 2 332.444 1.657 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292183493 289282352 /nfs/dbraw/zinc/28/23/52/289282352.db2.gz QTKAVBDDGCLLQH-IEBWSBKVSA-N 2 2 332.444 1.657 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@@H](C)O1 ZINC000342764998 297017647 /nfs/dbraw/zinc/01/76/47/297017647.db2.gz LHJNREBTYXXLFK-APIJFGDWSA-N 2 2 345.434 1.331 20 0 EDADLP COc1ccc([C@H](NCC[N@@H+]2CCOC[C@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422710565 295244886 /nfs/dbraw/zinc/24/48/86/295244886.db2.gz GBVNSDIJQCOURC-LZQZEXGQSA-N 2 2 333.476 1.799 20 0 EDADLP COc1ccc([C@H](NCC[N@H+]2CCOC[C@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422710565 295244888 /nfs/dbraw/zinc/24/48/88/295244888.db2.gz GBVNSDIJQCOURC-LZQZEXGQSA-N 2 2 333.476 1.799 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)[C@@H](C)O1 ZINC000333386165 297285999 /nfs/dbraw/zinc/28/59/99/297285999.db2.gz GFRVPZJOTIJEME-AJKMGBEJSA-N 2 2 332.448 1.770 20 0 EDADLP CCc1ncc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000414428880 447306454 /nfs/dbraw/zinc/30/64/54/447306454.db2.gz CHDHHXMZEYVUGY-HOTGVXAUSA-N 2 2 346.454 1.817 20 0 EDADLP CCc1ncc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000414428880 447306456 /nfs/dbraw/zinc/30/64/56/447306456.db2.gz CHDHHXMZEYVUGY-HOTGVXAUSA-N 2 2 346.454 1.817 20 0 EDADLP CC[C@H]1CC[C@H](C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)O1 ZINC000422012006 447307650 /nfs/dbraw/zinc/30/76/50/447307650.db2.gz DHZPVXJPUMLIMD-ZWKOTPCHSA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@H]1CC[C@H](C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)O1 ZINC000422012006 447307653 /nfs/dbraw/zinc/30/76/53/447307653.db2.gz DHZPVXJPUMLIMD-ZWKOTPCHSA-N 2 2 337.508 1.963 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)no1 ZINC000377713118 447310502 /nfs/dbraw/zinc/31/05/02/447310502.db2.gz SDGWZJLIHQTJPD-CQSZACIVSA-N 2 2 331.420 2.406 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)no1 ZINC000377713118 447310507 /nfs/dbraw/zinc/31/05/07/447310507.db2.gz SDGWZJLIHQTJPD-CQSZACIVSA-N 2 2 331.420 2.406 20 0 EDADLP COc1cc(C)cnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372847165 447313570 /nfs/dbraw/zinc/31/35/70/447313570.db2.gz PJCUVUUYKQUIPM-AWEZNQCLSA-N 2 2 332.448 1.297 20 0 EDADLP COc1cc(C)cnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372847165 447313576 /nfs/dbraw/zinc/31/35/76/447313576.db2.gz PJCUVUUYKQUIPM-AWEZNQCLSA-N 2 2 332.448 1.297 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[NH2+]CC2([NH3+])CCC2)cc1C ZINC000420307836 304747557 /nfs/dbraw/zinc/74/75/57/304747557.db2.gz MUXAPPJYBJHNST-UHFFFAOYSA-N 2 2 325.434 1.643 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccccc1OCC(F)(F)F ZINC000653076293 453255374 /nfs/dbraw/zinc/25/53/74/453255374.db2.gz QKYQTCIIXBAWFC-LBPRGKRZSA-N 2 2 333.354 1.523 20 0 EDADLP Cc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1F ZINC000294944403 303155950 /nfs/dbraw/zinc/15/59/50/303155950.db2.gz CVPRKNOWYSDQTD-MRXNPFEDSA-N 2 2 335.423 1.157 20 0 EDADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295152067 303180598 /nfs/dbraw/zinc/18/05/98/303180598.db2.gz RGFKGZZHIJRIPJ-IAGOWNOFSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295152067 303180601 /nfs/dbraw/zinc/18/06/01/303180601.db2.gz RGFKGZZHIJRIPJ-IAGOWNOFSA-N 2 2 333.476 1.864 20 0 EDADLP c1cn2c(n1)[C@H]([NH2+]CCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000295812269 303271260 /nfs/dbraw/zinc/27/12/60/303271260.db2.gz CWLZZOGQWORUMI-GOSISDBHSA-N 2 2 325.460 1.735 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295909181 303282309 /nfs/dbraw/zinc/28/23/09/303282309.db2.gz IVDPEZBYYQEGGW-HUUCEWRRSA-N 2 2 334.464 1.856 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295909181 303282310 /nfs/dbraw/zinc/28/23/10/303282310.db2.gz IVDPEZBYYQEGGW-HUUCEWRRSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000296570202 303325104 /nfs/dbraw/zinc/32/51/04/303325104.db2.gz VYQBPDACQWQWEZ-QGZVFWFLSA-N 2 2 340.427 1.543 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000190263589 303368589 /nfs/dbraw/zinc/36/85/89/303368589.db2.gz MKWJHYKESAAZCA-ZDUSSCGKSA-N 2 2 329.416 1.487 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000302095089 303712284 /nfs/dbraw/zinc/71/22/84/303712284.db2.gz IPJVKEHCJFLHQP-IRXDYDNUSA-N 2 2 345.491 1.892 20 0 EDADLP Cc1cc(N2CCC(Nc3cc[nH+]cc3C(N)=O)CC2)nc(C)[nH+]1 ZINC000302170828 303716011 /nfs/dbraw/zinc/71/60/11/303716011.db2.gz UJVPBVPEPWTJEH-UHFFFAOYSA-N 2 2 326.404 1.668 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)O1 ZINC000448628175 447336318 /nfs/dbraw/zinc/33/63/18/447336318.db2.gz QKJLHPVEDQYCIA-GJZGRUSLSA-N 2 2 343.431 1.496 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237909736 303803527 /nfs/dbraw/zinc/80/35/27/303803527.db2.gz HYSZLKKUHYJLMV-LSDHHAIUSA-N 2 2 349.500 1.627 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](CO)[C@H]3CCCOC3)c2cc1C ZINC000412000440 303948643 /nfs/dbraw/zinc/94/86/43/303948643.db2.gz ZBEJNUBRQLSEIZ-JZXOWHBKSA-N 2 2 347.459 1.391 20 0 EDADLP CC(C)(CC[NH3+])NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000422595755 304873605 /nfs/dbraw/zinc/87/36/05/304873605.db2.gz WRRSVAHKWNSXJX-MRXNPFEDSA-N 2 2 334.464 1.487 20 0 EDADLP COc1ccc([C@H](C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)N2CCOCC2)cc1 ZINC000422751921 304879969 /nfs/dbraw/zinc/87/99/69/304879969.db2.gz DGOOVPLHGNTMQB-LZQZEXGQSA-N 2 2 333.476 1.656 20 0 EDADLP COc1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)ccc1OCC(=O)N(C)C ZINC000422939633 304880705 /nfs/dbraw/zinc/88/07/05/304880705.db2.gz MHJSEARQNVDUMU-GDBMZVCRSA-N 2 2 349.475 1.782 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C)CC[NH2+]CC1 ZINC000423146330 304888521 /nfs/dbraw/zinc/88/85/21/304888521.db2.gz AEKCQAPZCQDMJL-GJZGRUSLSA-N 2 2 342.480 1.874 20 0 EDADLP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000423301134 304891709 /nfs/dbraw/zinc/89/17/09/304891709.db2.gz SOFDSOXDKTUPCU-CQSZACIVSA-N 2 2 340.431 1.234 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)[NH+]2CCOCC2)cc1 ZINC000423338249 304893299 /nfs/dbraw/zinc/89/32/99/304893299.db2.gz AWRULRANKMMAGZ-AOIWGVFYSA-N 2 2 329.444 1.237 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000423934364 304919198 /nfs/dbraw/zinc/91/91/98/304919198.db2.gz ZBRXBABUMKUDSW-KBXCAEBGSA-N 2 2 332.448 1.660 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000424459222 304930681 /nfs/dbraw/zinc/93/06/81/304930681.db2.gz VPXUVBDNJDUPJI-UHFFFAOYSA-N 2 2 329.404 1.137 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000428035029 305004660 /nfs/dbraw/zinc/00/46/60/305004660.db2.gz FIDRCZPLIIFUQD-BBRMVZONSA-N 2 2 337.851 1.519 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCCOc1ccc(Cl)cc1 ZINC000428035029 305004661 /nfs/dbraw/zinc/00/46/61/305004661.db2.gz FIDRCZPLIIFUQD-BBRMVZONSA-N 2 2 337.851 1.519 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)no1 ZINC000428828829 305018706 /nfs/dbraw/zinc/01/87/06/305018706.db2.gz XWWHGDHCZHZDGY-OAHLLOKOSA-N 2 2 344.415 1.555 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)no1 ZINC000428828829 305018707 /nfs/dbraw/zinc/01/87/07/305018707.db2.gz XWWHGDHCZHZDGY-OAHLLOKOSA-N 2 2 344.415 1.555 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)C1CC1 ZINC000430602555 305058162 /nfs/dbraw/zinc/05/81/62/305058162.db2.gz WIXQCKFEKRKBMN-FQEVSTJZSA-N 2 2 345.487 1.911 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430611228 305058705 /nfs/dbraw/zinc/05/87/05/305058705.db2.gz NRDRUSXDGWUQDX-AWEZNQCLSA-N 2 2 339.867 1.766 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430611228 305058706 /nfs/dbraw/zinc/05/87/06/305058706.db2.gz NRDRUSXDGWUQDX-AWEZNQCLSA-N 2 2 339.867 1.766 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430641680 305060795 /nfs/dbraw/zinc/06/07/95/305060795.db2.gz JFEUMGWIXOBCQO-HOCLYGCPSA-N 2 2 349.475 1.640 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430641680 305060796 /nfs/dbraw/zinc/06/07/96/305060796.db2.gz JFEUMGWIXOBCQO-HOCLYGCPSA-N 2 2 349.475 1.640 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000430652539 305061320 /nfs/dbraw/zinc/06/13/20/305061320.db2.gz NGSPREJTVXJEGD-CYBMUJFWSA-N 2 2 335.448 1.565 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000430652539 305061321 /nfs/dbraw/zinc/06/13/21/305061321.db2.gz NGSPREJTVXJEGD-CYBMUJFWSA-N 2 2 335.448 1.565 20 0 EDADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000430765846 305064403 /nfs/dbraw/zinc/06/44/03/305064403.db2.gz WCBGYPOHBNYRLY-CYBMUJFWSA-N 2 2 325.840 1.600 20 0 EDADLP C[C@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000430877383 305066777 /nfs/dbraw/zinc/06/67/77/305066777.db2.gz XJYFXOUNAJEFST-CVEARBPZSA-N 2 2 349.479 1.180 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000430918367 305068000 /nfs/dbraw/zinc/06/80/00/305068000.db2.gz HIBCRIQXTASWGO-CHWSQXEVSA-N 2 2 325.403 1.553 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000430918367 305068001 /nfs/dbraw/zinc/06/80/01/305068001.db2.gz HIBCRIQXTASWGO-CHWSQXEVSA-N 2 2 325.403 1.553 20 0 EDADLP COCC[C@]1(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CC[NH2+]C1 ZINC000430925135 305068486 /nfs/dbraw/zinc/06/84/86/305068486.db2.gz KMRJDQNVZSCSRN-CQSZACIVSA-N 2 2 348.369 1.420 20 0 EDADLP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430927842 305068728 /nfs/dbraw/zinc/06/87/28/305068728.db2.gz RUKSSRGWTOKOJR-KGLIPLIRSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430927842 305068729 /nfs/dbraw/zinc/06/87/29/305068729.db2.gz RUKSSRGWTOKOJR-KGLIPLIRSA-N 2 2 330.432 1.421 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430934472 305068992 /nfs/dbraw/zinc/06/89/92/305068992.db2.gz MVCPTCRZYAREHL-CQSZACIVSA-N 2 2 326.444 1.594 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430934472 305068993 /nfs/dbraw/zinc/06/89/93/305068993.db2.gz MVCPTCRZYAREHL-CQSZACIVSA-N 2 2 326.444 1.594 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@H]1[NH3+] ZINC000430945773 305069967 /nfs/dbraw/zinc/06/99/67/305069967.db2.gz SRJSVHLDSQJXGL-XJKSGUPXSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@H]1[NH3+] ZINC000430945773 305069968 /nfs/dbraw/zinc/06/99/68/305069968.db2.gz SRJSVHLDSQJXGL-XJKSGUPXSA-N 2 2 330.432 1.421 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430950723 305070427 /nfs/dbraw/zinc/07/04/27/305070427.db2.gz RZYAHBIFYPCFQE-GFCCVEGCSA-N 2 2 345.365 1.481 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430950723 305070428 /nfs/dbraw/zinc/07/04/28/305070428.db2.gz RZYAHBIFYPCFQE-GFCCVEGCSA-N 2 2 345.365 1.481 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430960082 305071022 /nfs/dbraw/zinc/07/10/22/305071022.db2.gz GXGDOXFCLLLTTJ-SFHVURJKSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430960082 305071023 /nfs/dbraw/zinc/07/10/23/305071023.db2.gz GXGDOXFCLLLTTJ-SFHVURJKSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430960082 305071024 /nfs/dbraw/zinc/07/10/24/305071024.db2.gz GXGDOXFCLLLTTJ-SFHVURJKSA-N 3 2 344.503 1.310 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430960082 305071025 /nfs/dbraw/zinc/07/10/25/305071025.db2.gz GXGDOXFCLLLTTJ-SFHVURJKSA-N 3 2 344.503 1.310 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430963032 305071279 /nfs/dbraw/zinc/07/12/79/305071279.db2.gz RVHBRTCEQSVHAI-UONOGXRCSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430963032 305071280 /nfs/dbraw/zinc/07/12/80/305071280.db2.gz RVHBRTCEQSVHAI-UONOGXRCSA-N 2 2 330.432 1.421 20 0 EDADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000430964754 305071478 /nfs/dbraw/zinc/07/14/78/305071478.db2.gz JAVYJBBKHGQRGD-AWEZNQCLSA-N 2 2 349.475 1.435 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431095683 305075017 /nfs/dbraw/zinc/07/50/17/305075017.db2.gz WDLGUMRGCQICBM-STQMWFEESA-N 2 2 337.468 1.780 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431095683 305075018 /nfs/dbraw/zinc/07/50/18/305075018.db2.gz WDLGUMRGCQICBM-STQMWFEESA-N 2 2 337.468 1.780 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432076196 305087002 /nfs/dbraw/zinc/08/70/02/305087002.db2.gz GSQTZBDBJHXCTK-OCCSQVGLSA-N 2 2 347.463 1.551 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c[nH+]1 ZINC000433140772 305101513 /nfs/dbraw/zinc/10/15/13/305101513.db2.gz JSLZMYARZDVCCX-UHFFFAOYSA-N 3 2 347.507 1.747 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)NCCNc2cccc[nH+]2)CCCO1 ZINC000433280029 305104759 /nfs/dbraw/zinc/10/47/59/305104759.db2.gz XYWUDLJSCDEHOA-HNNXBMFYSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)NCCNc2cccc[nH+]2)CCCO1 ZINC000433280029 305104760 /nfs/dbraw/zinc/10/47/60/305104760.db2.gz XYWUDLJSCDEHOA-HNNXBMFYSA-N 2 2 335.452 1.294 20 0 EDADLP Cc1c[nH]cc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435569519 305142622 /nfs/dbraw/zinc/14/26/22/305142622.db2.gz KBPLUHSOYAKSLC-HNNXBMFYSA-N 2 2 327.432 1.841 20 0 EDADLP C[N@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435618754 305143586 /nfs/dbraw/zinc/14/35/86/305143586.db2.gz UJFRXZITNJFTON-CQSZACIVSA-N 2 2 344.459 1.824 20 0 EDADLP C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435618754 305143587 /nfs/dbraw/zinc/14/35/87/305143587.db2.gz UJFRXZITNJFTON-CQSZACIVSA-N 2 2 344.459 1.824 20 0 EDADLP CN(CCCNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435624971 305144024 /nfs/dbraw/zinc/14/40/24/305144024.db2.gz ZBBULCKNUMAMFR-GOSISDBHSA-N 2 2 332.492 1.703 20 0 EDADLP CN(CCCNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000435624971 305144025 /nfs/dbraw/zinc/14/40/25/305144025.db2.gz ZBBULCKNUMAMFR-GOSISDBHSA-N 2 2 332.492 1.703 20 0 EDADLP CCn1ccnc1C[N@H+](CCn1cccn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435684326 305145261 /nfs/dbraw/zinc/14/52/61/305145261.db2.gz UVJSLGXHIHGFPT-MRXNPFEDSA-N 2 2 328.464 1.744 20 0 EDADLP CCn1ccnc1C[N@@H+](CCn1cccn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435684326 305145262 /nfs/dbraw/zinc/14/52/62/305145262.db2.gz UVJSLGXHIHGFPT-MRXNPFEDSA-N 2 2 328.464 1.744 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1noc(-c2ccccc2)n1 ZINC000436050824 305151317 /nfs/dbraw/zinc/15/13/17/305151317.db2.gz KMROYOYLURNHJA-HNNXBMFYSA-N 2 2 343.431 1.556 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1noc(-c2ccccc2)n1 ZINC000436050824 305151318 /nfs/dbraw/zinc/15/13/18/305151318.db2.gz KMROYOYLURNHJA-HNNXBMFYSA-N 2 2 343.431 1.556 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000436509853 305159112 /nfs/dbraw/zinc/15/91/12/305159112.db2.gz HPDTYNBITPXVSL-UHFFFAOYSA-N 2 2 346.475 1.236 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000436509853 305159113 /nfs/dbraw/zinc/15/91/13/305159113.db2.gz HPDTYNBITPXVSL-UHFFFAOYSA-N 2 2 346.475 1.236 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000440530121 305209488 /nfs/dbraw/zinc/20/94/88/305209488.db2.gz ZVGPECCESNIFRM-UHFFFAOYSA-N 2 2 345.373 1.907 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnn(CC(F)(F)F)n1 ZINC000440530121 305209489 /nfs/dbraw/zinc/20/94/89/305209489.db2.gz ZVGPECCESNIFRM-UHFFFAOYSA-N 2 2 345.373 1.907 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(F)cc1 ZINC000441248964 305219600 /nfs/dbraw/zinc/21/96/00/305219600.db2.gz XHNTWOSNWQWBGM-BRWVUGGUSA-N 2 2 335.423 1.948 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(F)cc1 ZINC000441248964 305219601 /nfs/dbraw/zinc/21/96/01/305219601.db2.gz XHNTWOSNWQWBGM-BRWVUGGUSA-N 2 2 335.423 1.948 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](S(N)(=O)=O)C1 ZINC000443856212 305242534 /nfs/dbraw/zinc/24/25/34/305242534.db2.gz RPQCJWUCDCKRHY-INIZCTEOSA-N 2 2 339.505 1.507 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](S(N)(=O)=O)C1 ZINC000443856212 305242535 /nfs/dbraw/zinc/24/25/35/305242535.db2.gz RPQCJWUCDCKRHY-INIZCTEOSA-N 2 2 339.505 1.507 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000443856212 305242536 /nfs/dbraw/zinc/24/25/36/305242536.db2.gz RPQCJWUCDCKRHY-INIZCTEOSA-N 2 2 339.505 1.507 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000443856212 305242537 /nfs/dbraw/zinc/24/25/37/305242537.db2.gz RPQCJWUCDCKRHY-INIZCTEOSA-N 2 2 339.505 1.507 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CN[C@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447515195 305281135 /nfs/dbraw/zinc/28/11/35/305281135.db2.gz JQMQHHKKCGPUAS-WBVHZDCISA-N 2 2 329.448 1.841 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CN[C@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447515195 305281136 /nfs/dbraw/zinc/28/11/36/305281136.db2.gz JQMQHHKKCGPUAS-WBVHZDCISA-N 2 2 329.448 1.841 20 0 EDADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000447561643 305282329 /nfs/dbraw/zinc/28/23/29/305282329.db2.gz IWFYSXAURUTGMG-QWHCGFSZSA-N 2 2 337.420 1.304 20 0 EDADLP COC(=O)c1coc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000447561643 305282330 /nfs/dbraw/zinc/28/23/30/305282330.db2.gz IWFYSXAURUTGMG-QWHCGFSZSA-N 2 2 337.420 1.304 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCO[C@@H](C(C)(C)C)C3)cn2)CC1 ZINC000448379619 305296372 /nfs/dbraw/zinc/29/63/72/305296372.db2.gz ZROMGAAJFNQHJQ-MRXNPFEDSA-N 2 2 333.480 1.475 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCO[C@@H](C(C)(C)C)C3)cn2)CC1 ZINC000448379619 305296373 /nfs/dbraw/zinc/29/63/73/305296373.db2.gz ZROMGAAJFNQHJQ-MRXNPFEDSA-N 2 2 333.480 1.475 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@@H](C)[NH+](C)C)CC2 ZINC000448680783 305301404 /nfs/dbraw/zinc/30/14/04/305301404.db2.gz KENAJSNLFGUFTQ-CYBMUJFWSA-N 2 2 335.448 1.128 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@@H](C)[NH+](C)C)CC2 ZINC000448680783 305301405 /nfs/dbraw/zinc/30/14/05/305301405.db2.gz KENAJSNLFGUFTQ-CYBMUJFWSA-N 2 2 335.448 1.128 20 0 EDADLP Cc1cn2cc(NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)ccc2[nH+]1 ZINC000449343654 305312053 /nfs/dbraw/zinc/31/20/53/305312053.db2.gz MBMCADRNHLFEKR-LBPRGKRZSA-N 2 2 325.376 1.239 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000450596193 305330368 /nfs/dbraw/zinc/33/03/68/305330368.db2.gz NEQSEDOOSMFRCL-HOTGVXAUSA-N 2 2 349.479 1.087 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000450596193 305330369 /nfs/dbraw/zinc/33/03/69/305330369.db2.gz NEQSEDOOSMFRCL-HOTGVXAUSA-N 2 2 349.479 1.087 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cn(CC2CC2)nn1 ZINC000451038423 305331665 /nfs/dbraw/zinc/33/16/65/305331665.db2.gz UOKYGAQSIHZIIK-UHFFFAOYSA-N 2 2 334.512 1.538 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cn(CC2CC2)nn1 ZINC000451038423 305331666 /nfs/dbraw/zinc/33/16/66/305331666.db2.gz UOKYGAQSIHZIIK-UHFFFAOYSA-N 2 2 334.512 1.538 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(CF)CC1 ZINC000451391094 305343271 /nfs/dbraw/zinc/34/32/71/305343271.db2.gz FIFABHWXBXHXQG-HNNXBMFYSA-N 2 2 334.439 1.800 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000451958614 305374185 /nfs/dbraw/zinc/37/41/85/305374185.db2.gz HSOXPJKTIOQPCT-RDJZCZTQSA-N 2 2 325.522 1.758 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000451958614 305374186 /nfs/dbraw/zinc/37/41/86/305374186.db2.gz HSOXPJKTIOQPCT-RDJZCZTQSA-N 2 2 325.522 1.758 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[NH+](C)C ZINC000454211696 305418785 /nfs/dbraw/zinc/41/87/85/305418785.db2.gz UTRSGSADNVZTGG-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1cc(C)c(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)c[nH+]1 ZINC000456846998 305474461 /nfs/dbraw/zinc/47/44/61/305474461.db2.gz UNXUCAHKRNRABM-UHFFFAOYSA-N 2 2 328.416 1.964 20 0 EDADLP C[C@@]1(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CCC[NH2+]1 ZINC000514674595 305701820 /nfs/dbraw/zinc/70/18/20/305701820.db2.gz FHCBMLLTRZTWHL-IBGZPJMESA-N 2 2 345.443 1.244 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1cccc(F)c1 ZINC000515221465 305717388 /nfs/dbraw/zinc/71/73/88/305717388.db2.gz VLELVOYSWFXUNW-KBMXLJTQSA-N 2 2 343.406 1.652 20 0 EDADLP [NH3+]C[C@H](NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)C1CCCC1 ZINC000521585423 305790608 /nfs/dbraw/zinc/79/06/08/305790608.db2.gz KWXSFEOUBZHQDE-HNNXBMFYSA-N 2 2 328.420 1.965 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000523540603 305810833 /nfs/dbraw/zinc/81/08/33/305810833.db2.gz DHHJFCOIPKGZSB-CQSZACIVSA-N 2 2 326.404 1.220 20 0 EDADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000449122013 447362059 /nfs/dbraw/zinc/36/20/59/447362059.db2.gz JYUSDNCVGJINJI-INIZCTEOSA-N 2 2 340.489 1.273 20 0 EDADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000527664645 305855205 /nfs/dbraw/zinc/85/52/05/305855205.db2.gz NFPLDUKSKNXOCS-AWEZNQCLSA-N 2 2 347.450 1.581 20 0 EDADLP Cc1c(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cnn1C ZINC000425938681 447364694 /nfs/dbraw/zinc/36/46/94/447364694.db2.gz AWVMRBYHAAENJU-IBGZPJMESA-N 2 2 328.460 1.797 20 0 EDADLP Cc1c(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cnn1C ZINC000425938681 447364698 /nfs/dbraw/zinc/36/46/98/447364698.db2.gz AWVMRBYHAAENJU-IBGZPJMESA-N 2 2 328.460 1.797 20 0 EDADLP Cc1c(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000425938681 447364701 /nfs/dbraw/zinc/36/47/01/447364701.db2.gz AWVMRBYHAAENJU-IBGZPJMESA-N 2 2 328.460 1.797 20 0 EDADLP Cc1c(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000425938681 447364706 /nfs/dbraw/zinc/36/47/06/447364706.db2.gz AWVMRBYHAAENJU-IBGZPJMESA-N 2 2 328.460 1.797 20 0 EDADLP CO[C@H](C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000530223014 305934665 /nfs/dbraw/zinc/93/46/65/305934665.db2.gz KWUJHHCCNIYNJH-QGZVFWFLSA-N 2 2 332.448 1.017 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573779 306014325 /nfs/dbraw/zinc/01/43/25/306014325.db2.gz ISBJNLLKGYWZIO-UHFFFAOYSA-N 2 2 333.436 1.582 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C[N@@H+]1C1CC1 ZINC000538682746 306031919 /nfs/dbraw/zinc/03/19/19/306031919.db2.gz YQTUNDJXVFDNLR-NEPJUHHUSA-N 2 2 342.447 1.389 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C[N@H+]1C1CC1 ZINC000538682746 306031920 /nfs/dbraw/zinc/03/19/20/306031920.db2.gz YQTUNDJXVFDNLR-NEPJUHHUSA-N 2 2 342.447 1.389 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000540246346 306039160 /nfs/dbraw/zinc/03/91/60/306039160.db2.gz FJCVKZIQZOONOX-IAGOWNOFSA-N 2 2 348.491 1.875 20 0 EDADLP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542161803 306051836 /nfs/dbraw/zinc/05/18/36/306051836.db2.gz ZEWZRDMPAMVUHU-SWLSCSKDSA-N 2 2 330.436 1.304 20 0 EDADLP O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543396125 306063498 /nfs/dbraw/zinc/06/34/98/306063498.db2.gz DVSKHMBAXYMGSB-ZDUSSCGKSA-N 2 2 331.445 1.923 20 0 EDADLP O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543396125 306063499 /nfs/dbraw/zinc/06/34/99/306063499.db2.gz DVSKHMBAXYMGSB-ZDUSSCGKSA-N 2 2 331.445 1.923 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000547628457 306105551 /nfs/dbraw/zinc/10/55/51/306105551.db2.gz RFCNGBYLZNRVGW-PMPSAXMXSA-N 2 2 347.463 1.141 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCO1 ZINC000547687006 306108043 /nfs/dbraw/zinc/10/80/43/306108043.db2.gz MYIJHLCODPTWJE-BHYGNILZSA-N 2 2 332.448 1.631 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C1CCCCC1 ZINC000548389224 306126084 /nfs/dbraw/zinc/12/60/84/306126084.db2.gz OFHOGKDISOTIPS-UHFFFAOYSA-N 2 2 338.496 1.049 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)C1CCCCC1 ZINC000548389224 306126085 /nfs/dbraw/zinc/12/60/85/306126085.db2.gz OFHOGKDISOTIPS-UHFFFAOYSA-N 2 2 338.496 1.049 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000552694866 306180922 /nfs/dbraw/zinc/18/09/22/306180922.db2.gz PFDWAERTMHTNLI-UHFFFAOYSA-N 2 2 329.404 1.073 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCC(C)CC1 ZINC000553057011 306182179 /nfs/dbraw/zinc/18/21/79/306182179.db2.gz IUFXAZYBZLJOKJ-AWEZNQCLSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@H](CNC(=O)C(=O)NCCCCn1cc[nH+]c1)[N@H+]1CCC[C@@H](C)C1 ZINC000556642575 306212475 /nfs/dbraw/zinc/21/24/75/306212475.db2.gz UQRZHLABBNKDHO-HZPDHXFCSA-N 2 2 349.479 1.016 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000556758915 306216173 /nfs/dbraw/zinc/21/61/73/306216173.db2.gz MNUXLOOLNNGCCH-MAUKXSAKSA-N 2 2 331.464 1.999 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000556758915 306216174 /nfs/dbraw/zinc/21/61/74/306216174.db2.gz MNUXLOOLNNGCCH-MAUKXSAKSA-N 2 2 331.464 1.999 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000557131120 306224754 /nfs/dbraw/zinc/22/47/54/306224754.db2.gz AZVJINJPCVIQHN-KRWDZBQOSA-N 2 2 334.464 1.396 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000557131120 306224755 /nfs/dbraw/zinc/22/47/55/306224755.db2.gz AZVJINJPCVIQHN-KRWDZBQOSA-N 2 2 334.464 1.396 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000414955995 447372203 /nfs/dbraw/zinc/37/22/03/447372203.db2.gz PJRBTFWKQAZMQW-BEFAXECRSA-N 3 2 340.471 1.627 20 0 EDADLP C[NH2+][C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414966715 447377157 /nfs/dbraw/zinc/37/71/57/447377157.db2.gz DQYXPRGSNAESDZ-OLZOCXBDSA-N 2 2 332.448 1.950 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)[C@H](C)OC)CC2)CC1 ZINC000422183908 447392969 /nfs/dbraw/zinc/39/29/69/447392969.db2.gz AJCKNNKKYOIWGT-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)[C@H](C)OC)CC2)CC1 ZINC000422183908 447392975 /nfs/dbraw/zinc/39/29/75/447392975.db2.gz AJCKNNKKYOIWGT-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H](NC(=O)C(=O)Nc1ccc(N)[nH+]c1)[C@H](c1ccccc1)[NH+](C)C ZINC000415156910 447393561 /nfs/dbraw/zinc/39/35/61/447393561.db2.gz MZBHFGLEANURJI-MLGOLLRUSA-N 2 2 341.415 1.410 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000657092886 453676328 /nfs/dbraw/zinc/67/63/28/453676328.db2.gz QHWXUADKBFAWHK-UHFFFAOYSA-N 2 2 331.457 1.296 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000657092886 453676332 /nfs/dbraw/zinc/67/63/32/453676332.db2.gz QHWXUADKBFAWHK-UHFFFAOYSA-N 2 2 331.457 1.296 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc(C)[nH+]1 ZINC000422218350 447407120 /nfs/dbraw/zinc/40/71/20/447407120.db2.gz XUNMCCKEFBAFHH-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(C(F)(F)F)nn3)C2)CC1 ZINC000378363866 447422500 /nfs/dbraw/zinc/42/25/00/447422500.db2.gz NEIOLHHPAYHNIN-NSHDSACASA-N 2 2 329.370 2.076 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(C(F)(F)F)nn3)C2)CC1 ZINC000378363866 447422505 /nfs/dbraw/zinc/42/25/05/447422505.db2.gz NEIOLHHPAYHNIN-NSHDSACASA-N 2 2 329.370 2.076 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000458592224 447425472 /nfs/dbraw/zinc/42/54/72/447425472.db2.gz YYVRPYWHUPNEKO-JKSUJKDBSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)CCC2 ZINC000458592224 447425474 /nfs/dbraw/zinc/42/54/74/447425474.db2.gz YYVRPYWHUPNEKO-JKSUJKDBSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000422261493 447430826 /nfs/dbraw/zinc/43/08/26/447430826.db2.gz PEQVKMDXOWZXQN-CJNGLKHVSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000422261493 447430831 /nfs/dbraw/zinc/43/08/31/447430831.db2.gz PEQVKMDXOWZXQN-CJNGLKHVSA-N 2 2 346.475 1.551 20 0 EDADLP CCCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000070947513 441128171 /nfs/dbraw/zinc/12/81/71/441128171.db2.gz GFQKUKANXLFXCD-UHFFFAOYSA-N 2 2 339.505 1.487 20 0 EDADLP CCCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000070947513 441128173 /nfs/dbraw/zinc/12/81/73/441128173.db2.gz GFQKUKANXLFXCD-UHFFFAOYSA-N 2 2 339.505 1.487 20 0 EDADLP Cc1csc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000105098421 441231926 /nfs/dbraw/zinc/23/19/26/441231926.db2.gz VZZMZUAUSFOXAY-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP Cc1csc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000105098421 441231927 /nfs/dbraw/zinc/23/19/27/441231927.db2.gz VZZMZUAUSFOXAY-UHFFFAOYSA-N 2 2 339.509 1.619 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000104352442 441194441 /nfs/dbraw/zinc/19/44/41/441194441.db2.gz SJMFMZAXKABLBK-QZTJIDSGSA-N 2 2 347.507 1.680 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080972710 441215420 /nfs/dbraw/zinc/21/54/20/441215420.db2.gz GRSLOQJCWHVWAH-CQSZACIVSA-N 2 2 342.399 1.554 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080972710 441215425 /nfs/dbraw/zinc/21/54/25/441215425.db2.gz GRSLOQJCWHVWAH-CQSZACIVSA-N 2 2 342.399 1.554 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000104961258 441224879 /nfs/dbraw/zinc/22/48/79/441224879.db2.gz PEENRUXNAHKSQC-SJLPKXTDSA-N 2 2 331.460 1.349 20 0 EDADLP CC[NH+]1CCC(NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000047978853 441245677 /nfs/dbraw/zinc/24/56/77/441245677.db2.gz WGXNCXZFIAXBIU-UHFFFAOYSA-N 2 2 328.420 1.551 20 0 EDADLP CCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000072724577 441255279 /nfs/dbraw/zinc/25/52/79/441255279.db2.gz FHTKUBKAJBSPEK-UHFFFAOYSA-N 2 2 335.448 1.161 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000081355120 441256375 /nfs/dbraw/zinc/25/63/75/441256375.db2.gz QNZUUZSPTGCLBS-GJZGRUSLSA-N 2 2 331.526 1.287 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000048093224 441259852 /nfs/dbraw/zinc/25/98/52/441259852.db2.gz XGOCTFBNGGOVML-INIZCTEOSA-N 2 2 349.479 1.304 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000048093224 441259856 /nfs/dbraw/zinc/25/98/56/441259856.db2.gz XGOCTFBNGGOVML-INIZCTEOSA-N 2 2 349.479 1.304 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000072860206 441270555 /nfs/dbraw/zinc/27/05/55/441270555.db2.gz WBZVEXAMONREEW-LSDHHAIUSA-N 2 2 338.496 1.807 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000072860206 441270558 /nfs/dbraw/zinc/27/05/58/441270558.db2.gz WBZVEXAMONREEW-LSDHHAIUSA-N 2 2 338.496 1.807 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000072860206 441270561 /nfs/dbraw/zinc/27/05/61/441270561.db2.gz WBZVEXAMONREEW-LSDHHAIUSA-N 2 2 338.496 1.807 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)C1 ZINC000072860206 441270564 /nfs/dbraw/zinc/27/05/64/441270564.db2.gz WBZVEXAMONREEW-LSDHHAIUSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000081484367 441275820 /nfs/dbraw/zinc/27/58/20/441275820.db2.gz HWBZWCXLTWMMDA-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000081484367 441275825 /nfs/dbraw/zinc/27/58/25/441275825.db2.gz HWBZWCXLTWMMDA-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000081484367 441275827 /nfs/dbraw/zinc/27/58/27/441275827.db2.gz HWBZWCXLTWMMDA-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000081484367 441275830 /nfs/dbraw/zinc/27/58/30/441275830.db2.gz HWBZWCXLTWMMDA-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000073701285 441342754 /nfs/dbraw/zinc/34/27/54/441342754.db2.gz RGYRRPBFENXYQK-KZNAEPCWSA-N 2 2 328.460 1.789 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000073701285 441342757 /nfs/dbraw/zinc/34/27/57/441342757.db2.gz RGYRRPBFENXYQK-KZNAEPCWSA-N 2 2 328.460 1.789 20 0 EDADLP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073701285 441342761 /nfs/dbraw/zinc/34/27/61/441342761.db2.gz RGYRRPBFENXYQK-KZNAEPCWSA-N 2 2 328.460 1.789 20 0 EDADLP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073701285 441342765 /nfs/dbraw/zinc/34/27/65/441342765.db2.gz RGYRRPBFENXYQK-KZNAEPCWSA-N 2 2 328.460 1.789 20 0 EDADLP CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[NH+](C)C ZINC000106460392 441344664 /nfs/dbraw/zinc/34/46/64/441344664.db2.gz CKGGELXJRYERQE-GOSISDBHSA-N 2 2 332.492 1.959 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000081634303 441298430 /nfs/dbraw/zinc/29/84/30/441298430.db2.gz PQBJTAACGWIPAG-MRXNPFEDSA-N 2 2 326.444 1.858 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000081634303 441298432 /nfs/dbraw/zinc/29/84/32/441298432.db2.gz PQBJTAACGWIPAG-MRXNPFEDSA-N 2 2 326.444 1.858 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000081634303 441298433 /nfs/dbraw/zinc/29/84/33/441298433.db2.gz PQBJTAACGWIPAG-MRXNPFEDSA-N 2 2 326.444 1.858 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000081634303 441298437 /nfs/dbraw/zinc/29/84/37/441298437.db2.gz PQBJTAACGWIPAG-MRXNPFEDSA-N 2 2 326.444 1.858 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632745 441298447 /nfs/dbraw/zinc/29/84/47/441298447.db2.gz KPDQEJPJURWZIO-DZGCQCFKSA-N 2 2 338.496 1.663 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632745 441298450 /nfs/dbraw/zinc/29/84/50/441298450.db2.gz KPDQEJPJURWZIO-DZGCQCFKSA-N 2 2 338.496 1.663 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632745 441298451 /nfs/dbraw/zinc/29/84/51/441298451.db2.gz KPDQEJPJURWZIO-DZGCQCFKSA-N 2 2 338.496 1.663 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632745 441298453 /nfs/dbraw/zinc/29/84/53/441298453.db2.gz KPDQEJPJURWZIO-DZGCQCFKSA-N 2 2 338.496 1.663 20 0 EDADLP CN(C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1nccs1 ZINC000105876664 441303602 /nfs/dbraw/zinc/30/36/02/441303602.db2.gz XTTOEAWPXAHEAA-UHFFFAOYSA-N 2 2 333.461 1.794 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC[N@H+](CC)C(C)C)C2)CC1 ZINC000106556161 441355760 /nfs/dbraw/zinc/35/57/60/441355760.db2.gz OFCURFPKYFDFCX-QGZVFWFLSA-N 2 2 339.528 1.138 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC[N@@H+](CC)C(C)C)C2)CC1 ZINC000106556161 441355763 /nfs/dbraw/zinc/35/57/63/441355763.db2.gz OFCURFPKYFDFCX-QGZVFWFLSA-N 2 2 339.528 1.138 20 0 EDADLP CCc1cccc(NC(=O)C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000107369789 441412153 /nfs/dbraw/zinc/41/21/53/441412153.db2.gz OSRWZPMVDOJDMT-LJQANCHMSA-N 2 2 344.503 1.899 20 0 EDADLP CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000107369789 441412157 /nfs/dbraw/zinc/41/21/57/441412157.db2.gz OSRWZPMVDOJDMT-LJQANCHMSA-N 2 2 344.503 1.899 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2cc(C)no2)CC1 ZINC000075007926 441485441 /nfs/dbraw/zinc/48/54/41/441485441.db2.gz IKQXINPWKYWFID-UHFFFAOYSA-N 2 2 338.452 1.744 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000052518864 441455374 /nfs/dbraw/zinc/45/53/74/441455374.db2.gz JHYXOXQKTSSRBF-ROUUACIJSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000052518864 441455380 /nfs/dbraw/zinc/45/53/80/441455380.db2.gz JHYXOXQKTSSRBF-ROUUACIJSA-N 2 2 346.475 1.453 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000089127989 441526929 /nfs/dbraw/zinc/52/69/29/441526929.db2.gz MORQKSPOZNSHFG-INIZCTEOSA-N 2 2 349.450 1.824 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1F ZINC000089127989 441526933 /nfs/dbraw/zinc/52/69/33/441526933.db2.gz MORQKSPOZNSHFG-INIZCTEOSA-N 2 2 349.450 1.824 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000053812751 441543589 /nfs/dbraw/zinc/54/35/89/441543589.db2.gz OEPRYKKGVSCCFJ-GOSISDBHSA-N 2 2 344.503 1.670 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC(=O)Nc1ccccc1 ZINC000109793042 441507335 /nfs/dbraw/zinc/50/73/35/441507335.db2.gz NIVXDTQWGDIIIW-UHFFFAOYSA-N 2 2 327.388 1.868 20 0 EDADLP O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795214 441508047 /nfs/dbraw/zinc/50/80/47/441508047.db2.gz ZAYOVQDGHBZWOK-OAHLLOKOSA-N 2 2 345.399 1.689 20 0 EDADLP NC(=O)c1cccc(CC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000089545526 441559204 /nfs/dbraw/zinc/55/92/04/441559204.db2.gz DRTQGNKPIDNZMI-UHFFFAOYSA-N 2 2 338.455 1.977 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCO1 ZINC000066695955 441561371 /nfs/dbraw/zinc/56/13/71/441561371.db2.gz REHGRJUQDRGIBW-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCO1 ZINC000066695955 441561375 /nfs/dbraw/zinc/56/13/75/441561375.db2.gz REHGRJUQDRGIBW-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076002669 441576667 /nfs/dbraw/zinc/57/66/67/441576667.db2.gz FIJHSGDARWIKEO-QGZVFWFLSA-N 2 2 328.416 1.713 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076002669 441576671 /nfs/dbraw/zinc/57/66/71/441576671.db2.gz FIJHSGDARWIKEO-QGZVFWFLSA-N 2 2 328.416 1.713 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000076003088 441577119 /nfs/dbraw/zinc/57/71/19/441577119.db2.gz IEGFVERMPDKHOI-INIZCTEOSA-N 2 2 333.476 1.975 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000076003088 441577125 /nfs/dbraw/zinc/57/71/25/441577125.db2.gz IEGFVERMPDKHOI-INIZCTEOSA-N 2 2 333.476 1.975 20 0 EDADLP CC[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)C(C)C ZINC000076300568 441625533 /nfs/dbraw/zinc/62/55/33/441625533.db2.gz UQZWGDDBBNTCSN-UHFFFAOYSA-N 2 2 345.447 1.667 20 0 EDADLP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)C(C)C ZINC000076300568 441625539 /nfs/dbraw/zinc/62/55/39/441625539.db2.gz UQZWGDDBBNTCSN-UHFFFAOYSA-N 2 2 345.447 1.667 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000114506473 441665302 /nfs/dbraw/zinc/66/53/02/441665302.db2.gz GFRFOOUBJNGLJC-UHFFFAOYSA-N 2 2 330.476 1.648 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000173386180 441730919 /nfs/dbraw/zinc/73/09/19/441730919.db2.gz VAMCXAKYSRHLTJ-KRWDZBQOSA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000121710233 441763707 /nfs/dbraw/zinc/76/37/07/441763707.db2.gz MVQJWXGHXAWGAN-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121710233 441763712 /nfs/dbraw/zinc/76/37/12/441763712.db2.gz MVQJWXGHXAWGAN-LJQANCHMSA-N 2 2 345.487 1.832 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1Br ZINC000137687361 441777880 /nfs/dbraw/zinc/77/78/80/441777880.db2.gz WVYYJBMMZOOTPT-LBPRGKRZSA-N 2 2 326.238 1.472 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1Br ZINC000137687361 441777884 /nfs/dbraw/zinc/77/78/84/441777884.db2.gz WVYYJBMMZOOTPT-LBPRGKRZSA-N 2 2 326.238 1.472 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000139017448 441803108 /nfs/dbraw/zinc/80/31/08/441803108.db2.gz WRHGMAGOVNBZTH-YYIAUSFCSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000139017448 441803111 /nfs/dbraw/zinc/80/31/11/441803111.db2.gz WRHGMAGOVNBZTH-YYIAUSFCSA-N 2 2 338.496 1.221 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000116336406 441814678 /nfs/dbraw/zinc/81/46/78/441814678.db2.gz ACWCQHRLMFFGJL-QGZVFWFLSA-N 2 2 331.460 1.775 20 0 EDADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000116336406 441814683 /nfs/dbraw/zinc/81/46/83/441814683.db2.gz ACWCQHRLMFFGJL-QGZVFWFLSA-N 2 2 331.460 1.775 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000173904511 441858643 /nfs/dbraw/zinc/85/86/43/441858643.db2.gz YGBGCSAORGWHJN-KRWDZBQOSA-N 2 2 333.476 1.927 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000173904511 441858648 /nfs/dbraw/zinc/85/86/48/441858648.db2.gz YGBGCSAORGWHJN-KRWDZBQOSA-N 2 2 333.476 1.927 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000173904511 441858653 /nfs/dbraw/zinc/85/86/53/441858653.db2.gz YGBGCSAORGWHJN-KRWDZBQOSA-N 2 2 333.476 1.927 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000173904511 441858659 /nfs/dbraw/zinc/85/86/59/441858659.db2.gz YGBGCSAORGWHJN-KRWDZBQOSA-N 2 2 333.476 1.927 20 0 EDADLP CCOC(=O)C1(C)CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000092823988 441830770 /nfs/dbraw/zinc/83/07/70/441830770.db2.gz SZIFFDYWNPPIMA-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000118988137 441912431 /nfs/dbraw/zinc/91/24/31/441912431.db2.gz FLGXFPKTEPIUNH-CVEARBPZSA-N 2 2 346.475 1.595 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000144550462 441883772 /nfs/dbraw/zinc/88/37/72/441883772.db2.gz QAXXHVOOUGXVHP-QZTJIDSGSA-N 2 2 333.476 1.762 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(CC(C)C)C3CC3)C2)CC1 ZINC000174544608 441937613 /nfs/dbraw/zinc/93/76/13/441937613.db2.gz FZRHYMUIEQYVHA-GOSISDBHSA-N 2 2 336.524 1.345 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(CC(C)C)C3CC3)C2)CC1 ZINC000174544608 441937618 /nfs/dbraw/zinc/93/76/18/441937618.db2.gz FZRHYMUIEQYVHA-GOSISDBHSA-N 2 2 336.524 1.345 20 0 EDADLP COc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1O ZINC000174623687 441945601 /nfs/dbraw/zinc/94/56/01/441945601.db2.gz BWOQINMYMAOFGK-UHFFFAOYSA-N 2 2 349.475 1.822 20 0 EDADLP COc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1O ZINC000174623687 441945607 /nfs/dbraw/zinc/94/56/07/441945607.db2.gz BWOQINMYMAOFGK-UHFFFAOYSA-N 2 2 349.475 1.822 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1C ZINC000174727567 441961174 /nfs/dbraw/zinc/96/11/74/441961174.db2.gz IQQFSSGYRRRRDB-UHFFFAOYSA-N 2 2 332.492 1.811 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1C ZINC000174727567 441961177 /nfs/dbraw/zinc/96/11/77/441961177.db2.gz IQQFSSGYRRRRDB-UHFFFAOYSA-N 2 2 332.492 1.811 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000174761721 441964498 /nfs/dbraw/zinc/96/44/98/441964498.db2.gz IRABHBAMTSKLJN-CAOSSQGBSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000174761721 441964503 /nfs/dbraw/zinc/96/45/03/441964503.db2.gz IRABHBAMTSKLJN-CAOSSQGBSA-N 2 2 326.485 1.220 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3nc(-c4ccco4)no3)C2)CC1 ZINC000174897913 441979841 /nfs/dbraw/zinc/97/98/41/441979841.db2.gz PKWZKGBERPWJHL-HNNXBMFYSA-N 2 2 345.447 1.932 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3nc(-c4ccco4)no3)C2)CC1 ZINC000174897913 441979846 /nfs/dbraw/zinc/97/98/46/441979846.db2.gz PKWZKGBERPWJHL-HNNXBMFYSA-N 2 2 345.447 1.932 20 0 EDADLP CC[C@H](C)NC(=O)CN1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000125439253 442021096 /nfs/dbraw/zinc/02/10/96/442021096.db2.gz WAOXPHDYYXBBSZ-INIZCTEOSA-N 2 2 335.496 1.504 20 0 EDADLP CO[C@H](C)c1noc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000162188301 442071871 /nfs/dbraw/zinc/07/18/71/442071871.db2.gz UAVDKDOAWBQNMS-CYBMUJFWSA-N 2 2 325.457 1.235 20 0 EDADLP CO[C@H](C)c1noc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000162188301 442071878 /nfs/dbraw/zinc/07/18/78/442071878.db2.gz UAVDKDOAWBQNMS-CYBMUJFWSA-N 2 2 325.457 1.235 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175754191 442116496 /nfs/dbraw/zinc/11/64/96/442116496.db2.gz BHVZKLFYZUBLEX-QGZVFWFLSA-N 3 2 339.528 1.186 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175754191 442116498 /nfs/dbraw/zinc/11/64/98/442116498.db2.gz BHVZKLFYZUBLEX-QGZVFWFLSA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)[C@H](C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccccc1 ZINC000126656616 442131268 /nfs/dbraw/zinc/13/12/68/442131268.db2.gz QVKJURWBNMABBQ-SQNIBIBYSA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+](C)[C@H](C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccccc1 ZINC000126656616 442131271 /nfs/dbraw/zinc/13/12/71/442131271.db2.gz QVKJURWBNMABBQ-SQNIBIBYSA-N 2 2 331.460 1.659 20 0 EDADLP COc1ccccc1[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000163971824 442187415 /nfs/dbraw/zinc/18/74/15/442187415.db2.gz XIJWERTWSARTRQ-DYVFJYSZSA-N 2 2 328.416 1.776 20 0 EDADLP C[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)C[C@H]1CCC[NH+](C)C1 ZINC000152377915 442205216 /nfs/dbraw/zinc/20/52/16/442205216.db2.gz RBXYVXLTUWDYBB-INIZCTEOSA-N 2 2 328.460 1.897 20 0 EDADLP C[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)C[C@H]1CCC[NH+](C)C1 ZINC000152377915 442205218 /nfs/dbraw/zinc/20/52/18/442205218.db2.gz RBXYVXLTUWDYBB-INIZCTEOSA-N 2 2 328.460 1.897 20 0 EDADLP C[NH+](CC(=O)N1CCC(c2ccccc2)=N1)C[C@H]1CCC[N@H+](C)C1 ZINC000152377915 442205219 /nfs/dbraw/zinc/20/52/19/442205219.db2.gz RBXYVXLTUWDYBB-INIZCTEOSA-N 2 2 328.460 1.897 20 0 EDADLP C[NH+](CC(=O)N1CCC(c2ccccc2)=N1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152377915 442205221 /nfs/dbraw/zinc/20/52/21/442205221.db2.gz RBXYVXLTUWDYBB-INIZCTEOSA-N 2 2 328.460 1.897 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](CCO)C(C)(C)C)CC1 ZINC000164756560 442201826 /nfs/dbraw/zinc/20/18/26/442201826.db2.gz UFZFYKYKTWTJPS-OAHLLOKOSA-N 2 2 328.501 1.109 20 0 EDADLP CCC[C@](C)(O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000126900731 442151901 /nfs/dbraw/zinc/15/19/01/442151901.db2.gz XSGPFAASYPPFOH-KRWDZBQOSA-N 2 2 325.497 1.604 20 0 EDADLP Cc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000097000261 442154439 /nfs/dbraw/zinc/15/44/39/442154439.db2.gz MPUVZFGQMPCGTD-UHFFFAOYSA-N 2 2 339.505 1.642 20 0 EDADLP Cc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000097000261 442154443 /nfs/dbraw/zinc/15/44/43/442154443.db2.gz MPUVZFGQMPCGTD-UHFFFAOYSA-N 2 2 339.505 1.642 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152397789 442207481 /nfs/dbraw/zinc/20/74/81/442207481.db2.gz XYAQUKHAOLVJJU-KRWDZBQOSA-N 2 2 333.476 1.927 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152397789 442207485 /nfs/dbraw/zinc/20/74/85/442207485.db2.gz XYAQUKHAOLVJJU-KRWDZBQOSA-N 2 2 333.476 1.927 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000152397789 442207488 /nfs/dbraw/zinc/20/74/88/442207488.db2.gz XYAQUKHAOLVJJU-KRWDZBQOSA-N 2 2 333.476 1.927 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000152397789 442207489 /nfs/dbraw/zinc/20/74/89/442207489.db2.gz XYAQUKHAOLVJJU-KRWDZBQOSA-N 2 2 333.476 1.927 20 0 EDADLP Cc1cc(N2CC[NH+](CC3(O)CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000152854522 442247938 /nfs/dbraw/zinc/24/79/38/442247938.db2.gz GYFQXGFITIGVGC-UHFFFAOYSA-N 2 2 334.464 1.572 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000171005011 442297900 /nfs/dbraw/zinc/29/79/00/442297900.db2.gz DTDXGYYBBRKZHS-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc1 ZINC000171005011 442297902 /nfs/dbraw/zinc/29/79/02/442297902.db2.gz DTDXGYYBBRKZHS-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCc2nc3ccccc3[nH]2)CC1 ZINC000177126754 442301597 /nfs/dbraw/zinc/30/15/97/442301597.db2.gz CLCGUTWNCRCJBL-UHFFFAOYSA-N 2 2 343.475 1.638 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000129782939 442331475 /nfs/dbraw/zinc/33/14/75/442331475.db2.gz ZGPBPBDORSIAOV-UHFFFAOYSA-N 3 2 328.464 1.337 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000129782939 442331479 /nfs/dbraw/zinc/33/14/79/442331479.db2.gz ZGPBPBDORSIAOV-UHFFFAOYSA-N 3 2 328.464 1.337 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000171080991 442308866 /nfs/dbraw/zinc/30/88/66/442308866.db2.gz KQXIODGFFNMFNU-SJORKVTESA-N 2 2 345.491 1.180 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000171080991 442308870 /nfs/dbraw/zinc/30/88/70/442308870.db2.gz KQXIODGFFNMFNU-SJORKVTESA-N 2 2 345.491 1.180 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171097475 442311040 /nfs/dbraw/zinc/31/10/40/442311040.db2.gz SNOFVRQLASYLQP-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171097475 442311042 /nfs/dbraw/zinc/31/10/42/442311042.db2.gz SNOFVRQLASYLQP-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)C ZINC000171095239 442311104 /nfs/dbraw/zinc/31/11/04/442311104.db2.gz XDBOLEFWPXQVJI-UHFFFAOYSA-N 2 2 328.501 1.515 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[N@H+]1CCOCC1(C)C)C(C)C ZINC000171095239 442311106 /nfs/dbraw/zinc/31/11/06/442311106.db2.gz XDBOLEFWPXQVJI-UHFFFAOYSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@@H](CNC(=O)N1CCC([NH2+]C2CCCC2)CC1)[NH+]1CCOCC1 ZINC000129353211 442312983 /nfs/dbraw/zinc/31/29/83/442312983.db2.gz OTYNMYIFRGEOJK-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccn(C)c(=O)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000155108747 442375803 /nfs/dbraw/zinc/37/58/03/442375803.db2.gz GNSAOYKRPDYTFB-UHFFFAOYSA-N 2 2 349.479 1.183 20 0 EDADLP Cc1ccn(C)c(=O)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000155108747 442375804 /nfs/dbraw/zinc/37/58/04/442375804.db2.gz GNSAOYKRPDYTFB-UHFFFAOYSA-N 2 2 349.479 1.183 20 0 EDADLP C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH+]1CCSCC1 ZINC000130877707 442359360 /nfs/dbraw/zinc/35/93/60/442359360.db2.gz LDGQOPXRBOVEPA-AWEZNQCLSA-N 2 2 334.489 1.735 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cn2)CC1 ZINC000133620201 442427031 /nfs/dbraw/zinc/42/70/31/442427031.db2.gz IGPYVBQZUMQLGX-UHFFFAOYSA-N 3 2 346.523 1.627 20 0 EDADLP C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000178497850 442439146 /nfs/dbraw/zinc/43/91/46/442439146.db2.gz ZPQKVEVJZGVFHT-RYRKJORJSA-N 2 2 330.476 1.893 20 0 EDADLP C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000178497850 442439149 /nfs/dbraw/zinc/43/91/49/442439149.db2.gz ZPQKVEVJZGVFHT-RYRKJORJSA-N 2 2 330.476 1.893 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172576862 442495819 /nfs/dbraw/zinc/49/58/19/442495819.db2.gz WJYNETDFTUATGK-QGZVFWFLSA-N 2 2 333.480 1.329 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172576862 442495823 /nfs/dbraw/zinc/49/58/23/442495823.db2.gz WJYNETDFTUATGK-QGZVFWFLSA-N 2 2 333.480 1.329 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000156270397 442461956 /nfs/dbraw/zinc/46/19/56/442461956.db2.gz AUTGNMNCKBPGDX-GOSISDBHSA-N 2 2 347.507 1.717 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000156270397 442461959 /nfs/dbraw/zinc/46/19/59/442461959.db2.gz AUTGNMNCKBPGDX-GOSISDBHSA-N 2 2 347.507 1.717 20 0 EDADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000156270397 442461961 /nfs/dbraw/zinc/46/19/61/442461961.db2.gz AUTGNMNCKBPGDX-GOSISDBHSA-N 2 2 347.507 1.717 20 0 EDADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000156270397 442461963 /nfs/dbraw/zinc/46/19/63/442461963.db2.gz AUTGNMNCKBPGDX-GOSISDBHSA-N 2 2 347.507 1.717 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1)[C@H](C)[NH3+] ZINC000192091340 442589634 /nfs/dbraw/zinc/58/96/34/442589634.db2.gz WQQJRUIAKIRTFF-KGLIPLIRSA-N 2 2 339.867 1.846 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000135985379 442644961 /nfs/dbraw/zinc/64/49/61/442644961.db2.gz UKJCCFODSBYVEY-IRXDYDNUSA-N 2 2 326.444 1.735 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1c[nH+]cn1C ZINC000187122720 442654089 /nfs/dbraw/zinc/65/40/89/442654089.db2.gz JBTIGYMDQYFAJU-MRXNPFEDSA-N 2 2 341.459 1.290 20 0 EDADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)C2 ZINC000192680931 442676514 /nfs/dbraw/zinc/67/65/14/442676514.db2.gz CDXUSAYPGSDUMQ-AYHJJNSGSA-N 3 2 329.492 1.548 20 0 EDADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)C2 ZINC000192680931 442676519 /nfs/dbraw/zinc/67/65/19/442676519.db2.gz CDXUSAYPGSDUMQ-AYHJJNSGSA-N 3 2 329.492 1.548 20 0 EDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nncn2C)CC1 ZINC000181642245 442707948 /nfs/dbraw/zinc/70/79/48/442707948.db2.gz GWKVFTQSFUPKMY-CQSZACIVSA-N 2 2 346.454 1.947 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192812144 442688903 /nfs/dbraw/zinc/68/89/03/442688903.db2.gz UINQPGYDXJBPCH-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192812144 442688904 /nfs/dbraw/zinc/68/89/04/442688904.db2.gz UINQPGYDXJBPCH-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000192812144 442688905 /nfs/dbraw/zinc/68/89/05/442688905.db2.gz UINQPGYDXJBPCH-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000192812144 442688906 /nfs/dbraw/zinc/68/89/06/442688906.db2.gz UINQPGYDXJBPCH-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192812144 442688907 /nfs/dbraw/zinc/68/89/07/442688907.db2.gz UINQPGYDXJBPCH-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192812144 442688908 /nfs/dbraw/zinc/68/89/08/442688908.db2.gz UINQPGYDXJBPCH-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000192812144 442688909 /nfs/dbraw/zinc/68/89/09/442688909.db2.gz UINQPGYDXJBPCH-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000192812144 442688910 /nfs/dbraw/zinc/68/89/10/442688910.db2.gz UINQPGYDXJBPCH-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP COCCC[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000181552276 442703106 /nfs/dbraw/zinc/70/31/06/442703106.db2.gz XTWIFJWCFBWYIG-OAHLLOKOSA-N 2 2 325.497 1.724 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1(C)C ZINC000188193219 442722721 /nfs/dbraw/zinc/72/27/21/442722721.db2.gz NCFKQKJNHZMPMJ-HNAYVOBHSA-N 2 2 348.491 1.961 20 0 EDADLP CC(C)N1CC[C@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000182577250 442788992 /nfs/dbraw/zinc/78/89/92/442788992.db2.gz HSIWUOOZSDXQNS-WFFDWFOESA-N 2 2 334.508 1.239 20 0 EDADLP CC(C)N1CC[C@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000182577250 442788996 /nfs/dbraw/zinc/78/89/96/442788996.db2.gz HSIWUOOZSDXQNS-WFFDWFOESA-N 2 2 334.508 1.239 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000193821641 442792868 /nfs/dbraw/zinc/79/28/68/442792868.db2.gz ZRZYCBINBKAXES-QGZVFWFLSA-N 2 2 335.448 1.411 20 0 EDADLP CC(C)Cn1ncnc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182896085 442843593 /nfs/dbraw/zinc/84/35/93/442843593.db2.gz CYVOCFMICZGZHI-KRWDZBQOSA-N 2 2 334.512 1.536 20 0 EDADLP CC(C)Cn1ncnc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182896085 442843598 /nfs/dbraw/zinc/84/35/98/442843598.db2.gz CYVOCFMICZGZHI-KRWDZBQOSA-N 2 2 334.512 1.536 20 0 EDADLP CCOC[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179280189 318455755 /nfs/dbraw/zinc/45/57/55/318455755.db2.gz HXZURLDYJPGMPW-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CN(CC[NH+]1CCOCC1)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000265633177 442854115 /nfs/dbraw/zinc/85/41/15/442854115.db2.gz FORSZWXFGKQIRJ-UHFFFAOYSA-N 2 2 332.492 1.073 20 0 EDADLP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2csnn2)cc1 ZINC000181347629 318483329 /nfs/dbraw/zinc/48/33/29/318483329.db2.gz ZYTPWRKVFKVTDI-UHFFFAOYSA-N 2 2 345.472 1.654 20 0 EDADLP C[C@H](CNC(=O)NCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000265739884 442902185 /nfs/dbraw/zinc/90/21/85/442902185.db2.gz VMDWBGJYANZDKP-CQSZACIVSA-N 2 2 331.420 1.102 20 0 EDADLP CC(C)CO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000248733390 442921940 /nfs/dbraw/zinc/92/19/40/442921940.db2.gz LUHCPZHMSAXDLY-LDLYASANSA-N 2 2 342.524 1.841 20 0 EDADLP CC(C)CO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000248733390 442921942 /nfs/dbraw/zinc/92/19/42/442921942.db2.gz LUHCPZHMSAXDLY-LDLYASANSA-N 2 2 342.524 1.841 20 0 EDADLP CC(C)CO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000248733390 442921943 /nfs/dbraw/zinc/92/19/43/442921943.db2.gz LUHCPZHMSAXDLY-LDLYASANSA-N 2 2 342.524 1.841 20 0 EDADLP CC(C)CO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000248733390 442921945 /nfs/dbraw/zinc/92/19/45/442921945.db2.gz LUHCPZHMSAXDLY-LDLYASANSA-N 2 2 342.524 1.841 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000268325457 442947912 /nfs/dbraw/zinc/94/79/12/442947912.db2.gz CYFOVPOENWYQPA-APWZRJJASA-N 2 2 345.487 1.977 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000268325457 442947914 /nfs/dbraw/zinc/94/79/14/442947914.db2.gz CYFOVPOENWYQPA-APWZRJJASA-N 2 2 345.487 1.977 20 0 EDADLP CCc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)nc(C)[nH+]1 ZINC000266037283 442997416 /nfs/dbraw/zinc/99/74/16/442997416.db2.gz UDOLMKADJXMICB-UHFFFAOYSA-N 2 2 341.463 1.762 20 0 EDADLP C[C@@H]1CCN(S(=O)(=O)CC[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000189720960 442997662 /nfs/dbraw/zinc/99/76/62/442997662.db2.gz YCVDAWWSYUOUDJ-CABCVRRESA-N 2 2 326.466 1.192 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000184586063 443045108 /nfs/dbraw/zinc/04/51/08/443045108.db2.gz XXCKRXLFPDJCHJ-MJGOQNOKSA-N 3 2 346.519 1.679 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000184586063 443045113 /nfs/dbraw/zinc/04/51/13/443045113.db2.gz XXCKRXLFPDJCHJ-MJGOQNOKSA-N 3 2 346.519 1.679 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000184586063 443045117 /nfs/dbraw/zinc/04/51/17/443045117.db2.gz XXCKRXLFPDJCHJ-MJGOQNOKSA-N 3 2 346.519 1.679 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000184586063 443045123 /nfs/dbraw/zinc/04/51/23/443045123.db2.gz XXCKRXLFPDJCHJ-MJGOQNOKSA-N 3 2 346.519 1.679 20 0 EDADLP OCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000266189751 443050806 /nfs/dbraw/zinc/05/08/06/443050806.db2.gz XZVLSYPXFLCKDJ-QFBILLFUSA-N 2 2 330.428 1.745 20 0 EDADLP OCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000266189751 443050809 /nfs/dbraw/zinc/05/08/09/443050809.db2.gz XZVLSYPXFLCKDJ-QFBILLFUSA-N 2 2 330.428 1.745 20 0 EDADLP CCS(=O)(=O)N1CC(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000190280012 443080574 /nfs/dbraw/zinc/08/05/74/443080574.db2.gz IEJIOYUBHKPJCI-UHFFFAOYSA-N 2 2 348.472 1.552 20 0 EDADLP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869539 443132297 /nfs/dbraw/zinc/13/22/97/443132297.db2.gz GALUUZNKFFFOPF-MISYRCLQSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869539 443132299 /nfs/dbraw/zinc/13/22/99/443132299.db2.gz GALUUZNKFFFOPF-MISYRCLQSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000268869539 443132301 /nfs/dbraw/zinc/13/23/01/443132301.db2.gz GALUUZNKFFFOPF-MISYRCLQSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000268869539 443132304 /nfs/dbraw/zinc/13/23/04/443132304.db2.gz GALUUZNKFFFOPF-MISYRCLQSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869539 443132308 /nfs/dbraw/zinc/13/23/08/443132308.db2.gz GALUUZNKFFFOPF-MISYRCLQSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869539 443132310 /nfs/dbraw/zinc/13/23/10/443132310.db2.gz GALUUZNKFFFOPF-MISYRCLQSA-N 2 2 330.520 1.875 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000266498446 443147067 /nfs/dbraw/zinc/14/70/67/443147067.db2.gz KHCUBVGBRDVSNO-UHFFFAOYSA-N 2 2 333.436 1.410 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000266498446 443147074 /nfs/dbraw/zinc/14/70/74/443147074.db2.gz KHCUBVGBRDVSNO-UHFFFAOYSA-N 2 2 333.436 1.410 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000268829522 443121018 /nfs/dbraw/zinc/12/10/18/443121018.db2.gz QLYFWZDCZFWQKA-HNNXBMFYSA-N 2 2 341.459 1.659 20 0 EDADLP C[N@@H+]1CCN(Cc2cc(Br)cc3c2OCC3)[C@@H](C[NH3+])C1 ZINC000228496200 443125046 /nfs/dbraw/zinc/12/50/46/443125046.db2.gz GWQXYECCZHHJBJ-AWEZNQCLSA-N 2 2 340.265 1.459 20 0 EDADLP C[N@H+]1CCN(Cc2cc(Br)cc3c2OCC3)[C@@H](C[NH3+])C1 ZINC000228496200 443125050 /nfs/dbraw/zinc/12/50/50/443125050.db2.gz GWQXYECCZHHJBJ-AWEZNQCLSA-N 2 2 340.265 1.459 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237607255 443177454 /nfs/dbraw/zinc/17/74/54/443177454.db2.gz HOBUDXBYBQVQGV-UHFFFAOYSA-N 2 2 328.416 1.708 20 0 EDADLP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)[nH+]c1 ZINC000262052735 443181411 /nfs/dbraw/zinc/18/14/11/443181411.db2.gz ZVPZYOBPODESIY-KZNAEPCWSA-N 3 2 330.476 1.797 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cnn(Cc2ccccc2)c1 ZINC000268928362 443149382 /nfs/dbraw/zinc/14/93/82/443149382.db2.gz QFHKJWCEODQFGI-QFBILLFUSA-N 2 2 327.476 1.828 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cnn(Cc2ccccc2)c1 ZINC000268928362 443149384 /nfs/dbraw/zinc/14/93/84/443149384.db2.gz QFHKJWCEODQFGI-QFBILLFUSA-N 2 2 327.476 1.828 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[NH2+]C2CC2)CC1 ZINC000236954628 443153124 /nfs/dbraw/zinc/15/31/24/443153124.db2.gz CTLKZFQRFJSRGG-UHFFFAOYSA-N 2 2 330.476 1.192 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262991592 443221835 /nfs/dbraw/zinc/22/18/35/443221835.db2.gz NVCKWCYDUGNAMJ-CQSZACIVSA-N 2 2 325.359 1.455 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000245452408 443228909 /nfs/dbraw/zinc/22/89/09/443228909.db2.gz DNBJXYAPEBJEPJ-SJLPKXTDSA-N 2 2 347.459 1.279 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000245452408 443228912 /nfs/dbraw/zinc/22/89/12/443228912.db2.gz DNBJXYAPEBJEPJ-SJLPKXTDSA-N 2 2 347.459 1.279 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCS1 ZINC000269212046 443234467 /nfs/dbraw/zinc/23/44/67/443234467.db2.gz CYPXBWFMWRHZPU-YOEHRIQHSA-N 2 2 344.484 1.765 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1C[NH+]1CCOCC1 ZINC000266711941 443217082 /nfs/dbraw/zinc/21/70/82/443217082.db2.gz JNLKWSBDMXDQTO-OALUTQOASA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1C[NH+]1CCOCC1 ZINC000266711941 443217086 /nfs/dbraw/zinc/21/70/86/443217086.db2.gz JNLKWSBDMXDQTO-OALUTQOASA-N 2 2 343.471 1.875 20 0 EDADLP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652095 319112299 /nfs/dbraw/zinc/11/22/99/319112299.db2.gz UJVAYOYILVLVNY-HOTGVXAUSA-N 2 2 345.487 1.741 20 0 EDADLP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652095 319112300 /nfs/dbraw/zinc/11/23/00/319112300.db2.gz UJVAYOYILVLVNY-HOTGVXAUSA-N 2 2 345.487 1.741 20 0 EDADLP Cc1cn2cc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)ccc2[nH+]1 ZINC000269252738 443252349 /nfs/dbraw/zinc/25/23/49/443252349.db2.gz QHFTWMTWIKOIQW-UHFFFAOYSA-N 2 2 325.376 1.411 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@@H]([C@@H](C)O)C3)c2cc1C ZINC000412076243 319223912 /nfs/dbraw/zinc/22/39/12/319223912.db2.gz NQTLAUJPMZSIGO-IIDMSEBBSA-N 2 2 333.432 1.096 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@@H]([C@@H](C)O)C3)c2cc1C ZINC000412076243 319223914 /nfs/dbraw/zinc/22/39/14/319223914.db2.gz NQTLAUJPMZSIGO-IIDMSEBBSA-N 2 2 333.432 1.096 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000413967108 319307314 /nfs/dbraw/zinc/30/73/14/319307314.db2.gz OMBYHKDHKKFPJX-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415387739 319362836 /nfs/dbraw/zinc/36/28/36/319362836.db2.gz YEAMFFJKFQJNSG-AWEZNQCLSA-N 2 2 340.383 1.681 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415686553 319363515 /nfs/dbraw/zinc/36/35/15/319363515.db2.gz HYLRBYHKGIYTQG-KRWDZBQOSA-N 2 2 327.388 1.008 20 0 EDADLP COCCN(C)c1ccc(CNc2ccn(CC[NH+](C)C)n2)c[nH+]1 ZINC000191310711 443276351 /nfs/dbraw/zinc/27/63/51/443276351.db2.gz DKZDAMVAPXUXRX-UHFFFAOYSA-N 2 2 332.452 1.534 20 0 EDADLP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000246017282 443262988 /nfs/dbraw/zinc/26/29/88/443262988.db2.gz JGMCHKXFSZEOIT-IXDOHACOSA-N 2 2 345.553 1.204 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000266852371 443268194 /nfs/dbraw/zinc/26/81/94/443268194.db2.gz RPXUPFZXQRMQMA-KRWDZBQOSA-N 2 2 329.444 1.439 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000266852371 443268195 /nfs/dbraw/zinc/26/81/95/443268195.db2.gz RPXUPFZXQRMQMA-KRWDZBQOSA-N 2 2 329.444 1.439 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[N@@H+]1C1CC1 ZINC000185859623 443270745 /nfs/dbraw/zinc/27/07/45/443270745.db2.gz KENOETRUUHRPQZ-ZBFHGGJFSA-N 2 2 349.500 1.941 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)C[N@H+]1C1CC1 ZINC000185859623 443270747 /nfs/dbraw/zinc/27/07/47/443270747.db2.gz KENOETRUUHRPQZ-ZBFHGGJFSA-N 2 2 349.500 1.941 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000416890927 319470555 /nfs/dbraw/zinc/47/05/55/319470555.db2.gz TYNFRXLIZVQSLG-QZTJIDSGSA-N 2 2 346.475 1.405 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@H]2CCC[NH2+]C2)c2[nH+]ccn2C)cc1 ZINC000416910325 319472083 /nfs/dbraw/zinc/47/20/83/319472083.db2.gz RNTRZNIOGIXMFE-HOCLYGCPSA-N 2 2 343.431 1.569 20 0 EDADLP C[NH2+]C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000416938603 319479127 /nfs/dbraw/zinc/47/91/27/319479127.db2.gz LGEFODVSBQHYME-INIZCTEOSA-N 2 2 331.464 1.823 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC2)s1 ZINC000264702641 443381900 /nfs/dbraw/zinc/38/19/00/443381900.db2.gz ASFBCXBTVLYVDE-ZDUSSCGKSA-N 2 2 339.509 1.619 20 0 EDADLP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCN1c1nccn2cnnc12 ZINC000269661542 443384035 /nfs/dbraw/zinc/38/40/35/443384035.db2.gz ONTVMVSNUJQOMB-CVEARBPZSA-N 2 2 343.479 1.509 20 0 EDADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCN1c1nccn2cnnc12 ZINC000269661542 443384037 /nfs/dbraw/zinc/38/40/37/443384037.db2.gz ONTVMVSNUJQOMB-CVEARBPZSA-N 2 2 343.479 1.509 20 0 EDADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCN1c1nccn2cnnc12 ZINC000269661542 443384040 /nfs/dbraw/zinc/38/40/40/443384040.db2.gz ONTVMVSNUJQOMB-CVEARBPZSA-N 2 2 343.479 1.509 20 0 EDADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCN1c1nccn2cnnc12 ZINC000269661542 443384045 /nfs/dbraw/zinc/38/40/45/443384045.db2.gz ONTVMVSNUJQOMB-CVEARBPZSA-N 2 2 343.479 1.509 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)[C@H](C)C1 ZINC000282543323 443369668 /nfs/dbraw/zinc/36/96/68/443369668.db2.gz RFOHXPFECTZYAQ-AEFFLSMTSA-N 2 2 338.517 1.964 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)[C@H](C)C1 ZINC000282543323 443369672 /nfs/dbraw/zinc/36/96/72/443369672.db2.gz RFOHXPFECTZYAQ-AEFFLSMTSA-N 2 2 338.517 1.964 20 0 EDADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(O)c1 ZINC000267315300 443415945 /nfs/dbraw/zinc/41/59/45/443415945.db2.gz MUGSRIKBDZCRHB-CQSZACIVSA-N 2 2 334.464 1.778 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420370824 319612472 /nfs/dbraw/zinc/61/24/72/319612472.db2.gz PDYJQTLNGINWIP-UMCXVIDHSA-N 2 2 349.475 1.857 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C12CCC[NH+]1CCC2 ZINC000278715538 443410589 /nfs/dbraw/zinc/41/05/89/443410589.db2.gz CEXLEAOUCATOAW-UHFFFAOYSA-N 2 2 330.432 1.794 20 0 EDADLP CC(C)(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000282863342 443454071 /nfs/dbraw/zinc/45/40/71/443454071.db2.gz RAROFQKLQRHMQE-UHFFFAOYSA-N 2 2 342.443 1.658 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000273029542 443522726 /nfs/dbraw/zinc/52/27/26/443522726.db2.gz DEJBFFSFWMTVFF-MRXNPFEDSA-N 2 2 346.475 1.656 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)[NH+]2CCOCC2)s1 ZINC000423750930 319810798 /nfs/dbraw/zinc/81/07/98/319810798.db2.gz DVHHYZSYWWUGIF-HUUCEWRRSA-N 2 2 337.489 1.688 20 0 EDADLP C[C@@H]([NH3+])CCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423751001 319811018 /nfs/dbraw/zinc/81/10/18/319811018.db2.gz UKTXUSZVTKRLSQ-CYBMUJFWSA-N 2 2 349.866 1.759 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000265224220 443575884 /nfs/dbraw/zinc/57/58/84/443575884.db2.gz XJGWLCKMOXCYFT-HNNXBMFYSA-N 2 2 342.447 1.675 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC[N@@H+]1C ZINC000279423860 443585533 /nfs/dbraw/zinc/58/55/33/443585533.db2.gz LTMRFCLUAFJQKG-YTQUADARSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC[N@H+]1C ZINC000279423860 443585536 /nfs/dbraw/zinc/58/55/36/443585536.db2.gz LTMRFCLUAFJQKG-YTQUADARSA-N 2 2 345.487 1.595 20 0 EDADLP CC[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1CCOC ZINC000265356017 443614860 /nfs/dbraw/zinc/61/48/60/443614860.db2.gz SCRPWOCATSUKOS-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP CC[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1CCOC ZINC000265356017 443614864 /nfs/dbraw/zinc/61/48/64/443614864.db2.gz SCRPWOCATSUKOS-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000433169137 319973879 /nfs/dbraw/zinc/97/38/79/319973879.db2.gz PWFXXOFICIPDEJ-GFCCVEGCSA-N 2 2 339.237 1.944 20 0 EDADLP COc1cc2c(NC[C@@H](O)C[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000279948613 443647727 /nfs/dbraw/zinc/64/77/27/443647727.db2.gz AYAHHCHNBCGXPT-GFCCVEGCSA-N 2 2 335.379 1.488 20 0 EDADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449443689 320191557 /nfs/dbraw/zinc/19/15/57/320191557.db2.gz UWRHGKXMMULMIR-NSHDSACASA-N 2 2 328.463 1.351 20 0 EDADLP C=Cn1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)cn1 ZINC000449497999 320192479 /nfs/dbraw/zinc/19/24/79/320192479.db2.gz KZUOFGOZZFPHJS-GOSISDBHSA-N 2 2 345.491 1.750 20 0 EDADLP C=Cn1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)cn1 ZINC000449497999 320192482 /nfs/dbraw/zinc/19/24/82/320192482.db2.gz KZUOFGOZZFPHJS-GOSISDBHSA-N 2 2 345.491 1.750 20 0 EDADLP C=Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cn1 ZINC000449497999 320192486 /nfs/dbraw/zinc/19/24/86/320192486.db2.gz KZUOFGOZZFPHJS-GOSISDBHSA-N 2 2 345.491 1.750 20 0 EDADLP C=Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cn1 ZINC000449497999 320192488 /nfs/dbraw/zinc/19/24/88/320192488.db2.gz KZUOFGOZZFPHJS-GOSISDBHSA-N 2 2 345.491 1.750 20 0 EDADLP CNC(=O)C[NH+]1CCC(Nc2[nH+]ccc3c(OC)cccc32)CC1 ZINC000450240278 320215525 /nfs/dbraw/zinc/21/55/25/320215525.db2.gz HESWJXKYUZZZMM-UHFFFAOYSA-N 2 2 328.416 1.866 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454505885 320289966 /nfs/dbraw/zinc/28/99/66/320289966.db2.gz YGXXHLZZJIARFT-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454505885 320289967 /nfs/dbraw/zinc/28/99/67/320289967.db2.gz YGXXHLZZJIARFT-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454505885 320289968 /nfs/dbraw/zinc/28/99/68/320289968.db2.gz YGXXHLZZJIARFT-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP Cc1cc(C)c(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c[nH+]1 ZINC000454608218 320291052 /nfs/dbraw/zinc/29/10/52/320291052.db2.gz DRZLGJFYTYWNLR-AWEZNQCLSA-N 2 2 333.480 1.381 20 0 EDADLP Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488406249 320358432 /nfs/dbraw/zinc/35/84/32/320358432.db2.gz CIHVKDADRXTRMU-AWEZNQCLSA-N 2 2 326.448 1.957 20 0 EDADLP Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488406249 320358433 /nfs/dbraw/zinc/35/84/33/320358433.db2.gz CIHVKDADRXTRMU-AWEZNQCLSA-N 2 2 326.448 1.957 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000492453639 320379907 /nfs/dbraw/zinc/37/99/07/320379907.db2.gz HJCZPLSJYQGVNH-ZJBFNYKTSA-N 2 2 332.448 1.676 20 0 EDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492810276 320386641 /nfs/dbraw/zinc/38/66/41/320386641.db2.gz HWQNOHRZFDNCBC-PLNGDYQASA-N 2 2 347.463 1.166 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000492830824 320387833 /nfs/dbraw/zinc/38/78/33/320387833.db2.gz KWALYJNOUNUMMP-LLYBFZRZSA-N 2 2 334.464 1.467 20 0 EDADLP C[NH+](C)CCOc1ccc(CCNC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492858228 320388780 /nfs/dbraw/zinc/38/87/80/320388780.db2.gz FLHIDXRVNJMOCM-YVMONPNESA-N 2 2 328.416 1.722 20 0 EDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492891978 320390061 /nfs/dbraw/zinc/39/00/61/320390061.db2.gz DMMYQQNDKVJSJC-BQYQJAHWSA-N 2 2 327.388 1.952 20 0 EDADLP C[C@@H](C[NH2+]CC1(CNC(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000495878125 320399517 /nfs/dbraw/zinc/39/95/17/320399517.db2.gz VUTUDPKYRUGCDL-HNNXBMFYSA-N 2 2 341.496 1.849 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)C[C@H](C)O1 ZINC000276554958 443745199 /nfs/dbraw/zinc/74/51/99/443745199.db2.gz ILRVIZXNAAGOHC-MRINAFOASA-N 2 2 332.448 1.771 20 0 EDADLP C[C@@H]1C[N@H+](CC2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)C[C@H](C)O1 ZINC000276554958 443745203 /nfs/dbraw/zinc/74/52/03/443745203.db2.gz ILRVIZXNAAGOHC-MRINAFOASA-N 2 2 332.448 1.771 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000514590172 320429177 /nfs/dbraw/zinc/42/91/77/320429177.db2.gz KRLDERSUXAJCPW-UHFFFAOYSA-N 2 2 325.416 1.981 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000276516671 443731440 /nfs/dbraw/zinc/73/14/40/443731440.db2.gz KGEPQRKHZQBTBM-GOSISDBHSA-N 2 2 343.471 1.841 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000276516671 443731444 /nfs/dbraw/zinc/73/14/44/443731444.db2.gz KGEPQRKHZQBTBM-GOSISDBHSA-N 2 2 343.471 1.841 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cnc(-c4cnn(C)c4)nc3)CC2)c1 ZINC000525977098 320495870 /nfs/dbraw/zinc/49/58/70/320495870.db2.gz NYVTZUVPLDCEJY-UHFFFAOYSA-N 2 2 349.442 1.903 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[NH+]1CCCCCC1 ZINC000285040492 443832416 /nfs/dbraw/zinc/83/24/16/443832416.db2.gz BNBSAGXBMIYKLG-JJRVBVJISA-N 2 2 347.463 1.121 20 0 EDADLP C[NH+](C)CCN1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000298687446 443839009 /nfs/dbraw/zinc/83/90/09/443839009.db2.gz XFFGYIBBHXPXEW-UHFFFAOYSA-N 2 2 341.459 1.251 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[C@H](C)[N@H+]1C ZINC000298793094 443869980 /nfs/dbraw/zinc/86/99/80/443869980.db2.gz SBQAXVSGPQVEQP-MJBXVCDLSA-N 2 2 333.436 1.014 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1C ZINC000298793094 443869984 /nfs/dbraw/zinc/86/99/84/443869984.db2.gz SBQAXVSGPQVEQP-MJBXVCDLSA-N 2 2 333.436 1.014 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)sc2n1 ZINC000293036944 443909552 /nfs/dbraw/zinc/90/95/52/443909552.db2.gz SAEUZWNULCIEIS-INIZCTEOSA-N 2 2 333.461 1.377 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)sc2n1 ZINC000293036944 443909554 /nfs/dbraw/zinc/90/95/54/443909554.db2.gz SAEUZWNULCIEIS-INIZCTEOSA-N 2 2 333.461 1.377 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)sc2n1 ZINC000293036944 443909557 /nfs/dbraw/zinc/90/95/57/443909557.db2.gz SAEUZWNULCIEIS-INIZCTEOSA-N 2 2 333.461 1.377 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)sc2n1 ZINC000293036944 443909560 /nfs/dbraw/zinc/90/95/60/443909560.db2.gz SAEUZWNULCIEIS-INIZCTEOSA-N 2 2 333.461 1.377 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299213932 443985293 /nfs/dbraw/zinc/98/52/93/443985293.db2.gz HCJLEGXSLULOIQ-ZDUSSCGKSA-N 2 2 331.420 1.509 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299213932 443985296 /nfs/dbraw/zinc/98/52/96/443985296.db2.gz HCJLEGXSLULOIQ-ZDUSSCGKSA-N 2 2 331.420 1.509 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](O)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000293237105 443959410 /nfs/dbraw/zinc/95/94/10/443959410.db2.gz SMXQEMUAQJPWKW-HNNXBMFYSA-N 2 2 337.489 1.239 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](O)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000293237105 443959412 /nfs/dbraw/zinc/95/94/12/443959412.db2.gz SMXQEMUAQJPWKW-HNNXBMFYSA-N 2 2 337.489 1.239 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn4cc[nH+]c4c3)CC[C@H]21 ZINC000299301317 444011438 /nfs/dbraw/zinc/01/14/38/444011438.db2.gz OJPZTVRUADDKFM-DZGCQCFKSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn4cc[nH+]c4c3)CC[C@H]21 ZINC000299301317 444011442 /nfs/dbraw/zinc/01/14/42/444011442.db2.gz OJPZTVRUADDKFM-DZGCQCFKSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000299494546 444061820 /nfs/dbraw/zinc/06/18/20/444061820.db2.gz GSYCZWFNTXPNGE-IBGZPJMESA-N 2 2 344.503 1.405 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000299494546 444061823 /nfs/dbraw/zinc/06/18/23/444061823.db2.gz GSYCZWFNTXPNGE-IBGZPJMESA-N 2 2 344.503 1.405 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000561180168 321035363 /nfs/dbraw/zinc/03/53/63/321035363.db2.gz LEZGKZSWRDJRGV-AWEZNQCLSA-N 2 2 330.457 1.682 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000561180168 321035365 /nfs/dbraw/zinc/03/53/65/321035365.db2.gz LEZGKZSWRDJRGV-AWEZNQCLSA-N 2 2 330.457 1.682 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000561279338 321038815 /nfs/dbraw/zinc/03/88/15/321038815.db2.gz PEMDNCGVWBDQLL-BBRMVZONSA-N 2 2 346.456 1.513 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000562817864 321078745 /nfs/dbraw/zinc/07/87/45/321078745.db2.gz NFBCIJARTPHWDR-HNNXBMFYSA-N 2 2 329.448 1.390 20 0 EDADLP COc1cc(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC000562994271 321086828 /nfs/dbraw/zinc/08/68/28/321086828.db2.gz BTPJJNJCRPJBRQ-JZXOWHBKSA-N 2 2 336.476 1.606 20 0 EDADLP COc1cc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC000562994271 321086829 /nfs/dbraw/zinc/08/68/29/321086829.db2.gz BTPJJNJCRPJBRQ-JZXOWHBKSA-N 2 2 336.476 1.606 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000563603473 321111612 /nfs/dbraw/zinc/11/16/12/321111612.db2.gz OLYAYPPKKOSMTE-DOTOQJQBSA-N 2 2 331.464 1.612 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000564434918 321131403 /nfs/dbraw/zinc/13/14/03/321131403.db2.gz VMUCSJLPIVYNML-VNQPRFMTSA-N 2 2 334.468 1.069 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000564434918 321131404 /nfs/dbraw/zinc/13/14/04/321131404.db2.gz VMUCSJLPIVYNML-VNQPRFMTSA-N 2 2 334.468 1.069 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000564989427 321162955 /nfs/dbraw/zinc/16/29/55/321162955.db2.gz KKYMESQQAXYYJL-WBVHZDCISA-N 2 2 331.464 1.819 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000565173873 321172827 /nfs/dbraw/zinc/17/28/27/321172827.db2.gz RMJTYFKWGDNHNX-CRAIPNDOSA-N 2 2 339.455 1.275 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000565173873 321172829 /nfs/dbraw/zinc/17/28/29/321172829.db2.gz RMJTYFKWGDNHNX-CRAIPNDOSA-N 2 2 339.455 1.275 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000565173873 321172830 /nfs/dbraw/zinc/17/28/30/321172830.db2.gz RMJTYFKWGDNHNX-CRAIPNDOSA-N 2 2 339.455 1.275 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000565173873 321172832 /nfs/dbraw/zinc/17/28/32/321172832.db2.gz RMJTYFKWGDNHNX-CRAIPNDOSA-N 2 2 339.455 1.275 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3c(C4CC4)nc4sccn34)CCN2C1=O ZINC000565608562 321193937 /nfs/dbraw/zinc/19/39/37/321193937.db2.gz HVNSNSUAOKPZHD-NEPJUHHUSA-N 2 2 331.445 1.017 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)CCN2C1=O ZINC000565608562 321193939 /nfs/dbraw/zinc/19/39/39/321193939.db2.gz HVNSNSUAOKPZHD-NEPJUHHUSA-N 2 2 331.445 1.017 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+](CC4CCOCC4)CC3)ccn12 ZINC000565901095 321205382 /nfs/dbraw/zinc/20/53/82/321205382.db2.gz FKZIZOOZNMQESO-UHFFFAOYSA-N 2 2 342.443 1.827 20 0 EDADLP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000567889906 321265958 /nfs/dbraw/zinc/26/59/58/321265958.db2.gz JGNHPESLHRYSSR-IUODEOHRSA-N 2 2 345.896 1.739 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH+]1CCOCC1 ZINC000568187105 321279445 /nfs/dbraw/zinc/27/94/45/321279445.db2.gz VUGKCHRCBALEGO-RHSMWYFYSA-N 2 2 336.480 1.842 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000568187105 321279446 /nfs/dbraw/zinc/27/94/46/321279446.db2.gz VUGKCHRCBALEGO-RHSMWYFYSA-N 2 2 336.480 1.842 20 0 EDADLP Cc1ccc(NC(=O)[C@@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)nc1 ZINC000289299516 444100738 /nfs/dbraw/zinc/10/07/38/444100738.db2.gz CKPWFWAOEOIICH-WBVHZDCISA-N 2 2 346.475 1.496 20 0 EDADLP Cc1ccc(NC(=O)[C@@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)nc1 ZINC000289299516 444100741 /nfs/dbraw/zinc/10/07/41/444100741.db2.gz CKPWFWAOEOIICH-WBVHZDCISA-N 2 2 346.475 1.496 20 0 EDADLP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)nc1 ZINC000289299516 444100744 /nfs/dbraw/zinc/10/07/44/444100744.db2.gz CKPWFWAOEOIICH-WBVHZDCISA-N 2 2 346.475 1.496 20 0 EDADLP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)nc1 ZINC000289299516 444100745 /nfs/dbraw/zinc/10/07/45/444100745.db2.gz CKPWFWAOEOIICH-WBVHZDCISA-N 2 2 346.475 1.496 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000569472141 321326330 /nfs/dbraw/zinc/32/63/30/321326330.db2.gz WZYOABFZWJRWMF-JENIJYKNSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000569472141 321326331 /nfs/dbraw/zinc/32/63/31/321326331.db2.gz WZYOABFZWJRWMF-JENIJYKNSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000569985278 321333139 /nfs/dbraw/zinc/33/31/39/321333139.db2.gz BJBFSJFFYUPOGX-OLMNPRSZSA-N 2 2 342.443 1.340 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000569985278 321333141 /nfs/dbraw/zinc/33/31/41/321333141.db2.gz BJBFSJFFYUPOGX-OLMNPRSZSA-N 2 2 342.443 1.340 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000569985278 321333142 /nfs/dbraw/zinc/33/31/42/321333142.db2.gz BJBFSJFFYUPOGX-OLMNPRSZSA-N 2 2 342.443 1.340 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000569985278 321333144 /nfs/dbraw/zinc/33/31/44/321333144.db2.gz BJBFSJFFYUPOGX-OLMNPRSZSA-N 2 2 342.443 1.340 20 0 EDADLP Cc1cc(CN2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)no1 ZINC000570214901 321341206 /nfs/dbraw/zinc/34/12/06/321341206.db2.gz BADKFVRDSNUYSM-OALUTQOASA-N 2 2 344.459 1.032 20 0 EDADLP COc1ccc([C@@H](C)CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000570814833 321359826 /nfs/dbraw/zinc/35/98/26/321359826.db2.gz PCMFJVIBYAFSFO-GOEBONIOSA-N 2 2 334.464 1.473 20 0 EDADLP COc1ccc([C@@H](C)CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000570814833 321359827 /nfs/dbraw/zinc/35/98/27/321359827.db2.gz PCMFJVIBYAFSFO-GOEBONIOSA-N 2 2 334.464 1.473 20 0 EDADLP C[N@@H+]1CCN(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC000282325615 444149098 /nfs/dbraw/zinc/14/90/98/444149098.db2.gz NUOSMLGSOIKGQR-UHFFFAOYSA-N 3 2 331.508 1.666 20 0 EDADLP C[N@H+]1CCN(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1(C)C ZINC000282325615 444149103 /nfs/dbraw/zinc/14/91/03/444149103.db2.gz NUOSMLGSOIKGQR-UHFFFAOYSA-N 3 2 331.508 1.666 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289478765 444154835 /nfs/dbraw/zinc/15/48/35/444154835.db2.gz JSEVMFLXWHBRCV-AWEZNQCLSA-N 2 2 341.253 1.499 20 0 EDADLP COC[C@@H](C)[NH+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000301328300 444163887 /nfs/dbraw/zinc/16/38/87/444163887.db2.gz CLDYTKUEVPCNIR-JKSUJKDBSA-N 2 2 333.480 1.870 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)nc[nH+]1 ZINC000301341443 444165674 /nfs/dbraw/zinc/16/56/74/444165674.db2.gz IFQRRYQQEIIIFG-LUKYLMHMSA-N 2 2 343.475 1.358 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)nc[nH+]1 ZINC000301341443 444165678 /nfs/dbraw/zinc/16/56/78/444165678.db2.gz IFQRRYQQEIIIFG-LUKYLMHMSA-N 2 2 343.475 1.358 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)[nH+]cn1 ZINC000301341443 444165682 /nfs/dbraw/zinc/16/56/82/444165682.db2.gz IFQRRYQQEIIIFG-LUKYLMHMSA-N 2 2 343.475 1.358 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)[nH+]cn1 ZINC000301341443 444165684 /nfs/dbraw/zinc/16/56/84/444165684.db2.gz IFQRRYQQEIIIFG-LUKYLMHMSA-N 2 2 343.475 1.358 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000301444122 444172280 /nfs/dbraw/zinc/17/22/80/444172280.db2.gz JLMOKEOFVDJVIE-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000301444122 444172282 /nfs/dbraw/zinc/17/22/82/444172282.db2.gz JLMOKEOFVDJVIE-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000301444122 444172285 /nfs/dbraw/zinc/17/22/85/444172285.db2.gz JLMOKEOFVDJVIE-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000301444122 444172287 /nfs/dbraw/zinc/17/22/87/444172287.db2.gz JLMOKEOFVDJVIE-JKSUJKDBSA-N 2 2 333.480 1.748 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccncc3)C2)CC1 ZINC000289391005 444128554 /nfs/dbraw/zinc/12/85/54/444128554.db2.gz QYLBXXBRDJWCGW-WMZOPIPTSA-N 2 2 330.476 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccncc3)C2)CC1 ZINC000289391005 444128555 /nfs/dbraw/zinc/12/85/55/444128555.db2.gz QYLBXXBRDJWCGW-WMZOPIPTSA-N 2 2 330.476 1.814 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000296190984 444211452 /nfs/dbraw/zinc/21/14/52/444211452.db2.gz IXHJIPBOKHPQJG-CQSZACIVSA-N 2 2 329.404 1.060 20 0 EDADLP C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000289908788 444217836 /nfs/dbraw/zinc/21/78/36/444217836.db2.gz UHSHJNVILXMMDN-AWEZNQCLSA-N 2 2 326.404 1.697 20 0 EDADLP CN(C[C@@H](O)C[NH+]1CCN(C)CC1)c1cc[nH+]c2cc(Cl)ccc21 ZINC000302632625 444218336 /nfs/dbraw/zinc/21/83/36/444218336.db2.gz GTCNPZORTLFUAD-OAHLLOKOSA-N 2 2 348.878 1.933 20 0 EDADLP CN(C[C@@H](O)CN1CC[NH+](C)CC1)c1cc[nH+]c2cc(Cl)ccc21 ZINC000302632625 444218337 /nfs/dbraw/zinc/21/83/37/444218337.db2.gz GTCNPZORTLFUAD-OAHLLOKOSA-N 2 2 348.878 1.933 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCC(O)CC1 ZINC000296107806 444204979 /nfs/dbraw/zinc/20/49/79/444204979.db2.gz ZHDZIHUWLXEWGR-PXNSSMCTSA-N 2 2 331.504 1.943 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCC(O)CC1 ZINC000296107806 444204980 /nfs/dbraw/zinc/20/49/80/444204980.db2.gz ZHDZIHUWLXEWGR-PXNSSMCTSA-N 2 2 331.504 1.943 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)C[N@@H+]1Cc1ccccc1 ZINC000289801154 444205284 /nfs/dbraw/zinc/20/52/84/444205284.db2.gz KZAWVMLJCOCAFA-NVXWUHKLSA-N 2 2 329.448 1.413 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)C[N@H+]1Cc1ccccc1 ZINC000289801154 444205286 /nfs/dbraw/zinc/20/52/86/444205286.db2.gz KZAWVMLJCOCAFA-NVXWUHKLSA-N 2 2 329.448 1.413 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000290137612 444247293 /nfs/dbraw/zinc/24/72/93/444247293.db2.gz MFCDYHZGKCHMNM-QRVBRYPASA-N 2 2 345.487 1.498 20 0 EDADLP [NH3+][C@H]1CCC[C@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000576567048 321576699 /nfs/dbraw/zinc/57/66/99/321576699.db2.gz BFXMLWRGWURNKK-ZFWWWQNUSA-N 2 2 328.420 1.965 20 0 EDADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)C2=O)cc1 ZINC000576576062 321577938 /nfs/dbraw/zinc/57/79/38/321577938.db2.gz FCVAJGIAJUJTMQ-SZMVWBNQSA-N 2 2 331.460 1.453 20 0 EDADLP c1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000302841707 444227181 /nfs/dbraw/zinc/22/71/81/444227181.db2.gz MGCSLANWHQKUBW-DOTOQJQBSA-N 2 2 343.475 1.766 20 0 EDADLP c1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000302841707 444227183 /nfs/dbraw/zinc/22/71/83/444227183.db2.gz MGCSLANWHQKUBW-DOTOQJQBSA-N 2 2 343.475 1.766 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH+]1 ZINC000302841707 444227184 /nfs/dbraw/zinc/22/71/84/444227184.db2.gz MGCSLANWHQKUBW-DOTOQJQBSA-N 2 2 343.475 1.766 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH+]1 ZINC000302841707 444227185 /nfs/dbraw/zinc/22/71/85/444227185.db2.gz MGCSLANWHQKUBW-DOTOQJQBSA-N 2 2 343.475 1.766 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000296461006 444231955 /nfs/dbraw/zinc/23/19/55/444231955.db2.gz OUKMORMZOJNGQN-HNNXBMFYSA-N 2 2 349.475 1.736 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000310071951 444290872 /nfs/dbraw/zinc/29/08/72/444290872.db2.gz DNUILOFVFKZKHD-HNNXBMFYSA-N 2 2 349.456 1.539 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000310071951 444290873 /nfs/dbraw/zinc/29/08/73/444290873.db2.gz DNUILOFVFKZKHD-HNNXBMFYSA-N 2 2 349.456 1.539 20 0 EDADLP COCC1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]CC1 ZINC000323068381 444341780 /nfs/dbraw/zinc/34/17/80/444341780.db2.gz NFMBSPKXWBXZQE-UHFFFAOYSA-N 2 2 337.489 1.409 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328765328 444344986 /nfs/dbraw/zinc/34/49/86/444344986.db2.gz PBGMVECSHSQFLW-QGZVFWFLSA-N 2 2 343.475 1.384 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000328765328 444344989 /nfs/dbraw/zinc/34/49/89/444344989.db2.gz PBGMVECSHSQFLW-QGZVFWFLSA-N 2 2 343.475 1.384 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000320580505 444330926 /nfs/dbraw/zinc/33/09/26/444330926.db2.gz OEBUQSBAHJSXCJ-IAGOWNOFSA-N 2 2 341.883 1.053 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000320580505 444330929 /nfs/dbraw/zinc/33/09/29/444330929.db2.gz OEBUQSBAHJSXCJ-IAGOWNOFSA-N 2 2 341.883 1.053 20 0 EDADLP C[C@H](CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCCCC1 ZINC000578695574 321814689 /nfs/dbraw/zinc/81/46/89/321814689.db2.gz HGVARCPRKSWUQV-CQSZACIVSA-N 2 2 343.431 1.654 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000340516697 444422224 /nfs/dbraw/zinc/42/22/24/444422224.db2.gz IYMGUUYYTVBSAN-XDNAFOTISA-N 2 2 349.519 1.866 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000340516697 444422227 /nfs/dbraw/zinc/42/22/27/444422227.db2.gz IYMGUUYYTVBSAN-XDNAFOTISA-N 2 2 349.519 1.866 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340709026 444485116 /nfs/dbraw/zinc/48/51/16/444485116.db2.gz GSHWVEXJHJLUMT-HOTGVXAUSA-N 2 2 333.480 1.722 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000580275065 322028835 /nfs/dbraw/zinc/02/88/35/322028835.db2.gz WFEPQQCXVGEFHV-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000580275065 322028836 /nfs/dbraw/zinc/02/88/36/322028836.db2.gz WFEPQQCXVGEFHV-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000580436368 322051272 /nfs/dbraw/zinc/05/12/72/322051272.db2.gz UMJFLOUUXMRGMR-ZQIUZPCESA-N 3 2 329.448 1.043 20 0 EDADLP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000580645752 322077895 /nfs/dbraw/zinc/07/78/95/322077895.db2.gz XHFLIZXHQBWTMT-DOTOQJQBSA-N 2 2 328.416 1.693 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000580946169 322115314 /nfs/dbraw/zinc/11/53/14/322115314.db2.gz FGVZQSKVLAHXNK-MNEFBYGVSA-N 3 2 344.503 1.472 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000580946169 322115317 /nfs/dbraw/zinc/11/53/17/322115317.db2.gz FGVZQSKVLAHXNK-MNEFBYGVSA-N 3 2 344.503 1.472 20 0 EDADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000581061033 322130043 /nfs/dbraw/zinc/13/00/43/322130043.db2.gz BHKQJYGXPHHIKG-GOSISDBHSA-N 3 2 347.507 1.313 20 0 EDADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000581076284 322132988 /nfs/dbraw/zinc/13/29/88/322132988.db2.gz CMLAZQHZORYEQS-OAHLLOKOSA-N 2 2 342.487 1.117 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC2CC[NH+](CC)CC2)CCO1 ZINC000581184142 322145832 /nfs/dbraw/zinc/14/58/32/322145832.db2.gz MGIGYSVKJUKUBY-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC2CC[NH+](CC)CC2)CCO1 ZINC000581184142 322145830 /nfs/dbraw/zinc/14/58/30/322145830.db2.gz MGIGYSVKJUKUBY-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CCc1nocc1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000581204112 322149897 /nfs/dbraw/zinc/14/98/97/322149897.db2.gz IDBXTYMCXUIADT-UHFFFAOYSA-N 2 2 342.443 1.914 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000581321040 322164084 /nfs/dbraw/zinc/16/40/84/322164084.db2.gz WHFGOUIRNWBOLP-UHFFFAOYSA-N 2 2 344.415 1.532 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000581604530 322198075 /nfs/dbraw/zinc/19/80/75/322198075.db2.gz MJWMNHJSSXTHAN-UONOGXRCSA-N 2 2 333.432 1.085 20 0 EDADLP COc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc(Cl)c1OC ZINC000581736786 322215544 /nfs/dbraw/zinc/21/55/44/322215544.db2.gz JTIGHMUYIPUTAD-AAEUAGOBSA-N 2 2 339.823 1.101 20 0 EDADLP COc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc(Cl)c1OC ZINC000581736786 322215547 /nfs/dbraw/zinc/21/55/47/322215547.db2.gz JTIGHMUYIPUTAD-AAEUAGOBSA-N 2 2 339.823 1.101 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000581777146 322218992 /nfs/dbraw/zinc/21/89/92/322218992.db2.gz GIYUGMSFIOVSNK-HOTGVXAUSA-N 2 2 338.496 1.543 20 0 EDADLP CSC[C@H](O)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000581997874 322242785 /nfs/dbraw/zinc/24/27/85/322242785.db2.gz GMPSBKLBZYHRLT-MRXNPFEDSA-N 2 2 340.489 1.211 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)[C@H]2C1 ZINC000329231370 444507673 /nfs/dbraw/zinc/50/76/73/444507673.db2.gz FEKNRSCCPJNTLN-XHSDSOJGSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)[C@H]2C1 ZINC000329231370 444507675 /nfs/dbraw/zinc/50/76/75/444507675.db2.gz FEKNRSCCPJNTLN-XHSDSOJGSA-N 2 2 331.464 1.216 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C)c1C1CC1 ZINC000340878581 444555147 /nfs/dbraw/zinc/55/51/47/444555147.db2.gz HMUAYGAABQXEHU-UHFFFAOYSA-N 2 2 333.480 1.396 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C)c1C1CC1 ZINC000340878581 444555151 /nfs/dbraw/zinc/55/51/51/444555151.db2.gz HMUAYGAABQXEHU-UHFFFAOYSA-N 2 2 333.480 1.396 20 0 EDADLP CCCCNc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000342210646 444566320 /nfs/dbraw/zinc/56/63/20/444566320.db2.gz SSBVAIRWRZRHRJ-CQSZACIVSA-N 2 2 336.484 1.197 20 0 EDADLP CCCCNc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)[nH+]c(N)n1 ZINC000342210646 444566322 /nfs/dbraw/zinc/56/63/22/444566322.db2.gz SSBVAIRWRZRHRJ-CQSZACIVSA-N 2 2 336.484 1.197 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1Cc1cccc(CN2CC[NH+](C)C[C@@H]2C)c1 ZINC000343727087 444549219 /nfs/dbraw/zinc/54/92/19/444549219.db2.gz XKXAJWTYFLSYIQ-HDICACEKSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1Cc1cccc(CN2CC[NH+](C)C[C@@H]2C)c1 ZINC000343727087 444549220 /nfs/dbraw/zinc/54/92/20/444549220.db2.gz XKXAJWTYFLSYIQ-HDICACEKSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1Cc1cccc(CN2CC[N@H+](C)C[C@@H]2C)c1 ZINC000343727087 444549221 /nfs/dbraw/zinc/54/92/21/444549221.db2.gz XKXAJWTYFLSYIQ-HDICACEKSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1Cc1cccc(CN2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000343727087 444549223 /nfs/dbraw/zinc/54/92/23/444549223.db2.gz XKXAJWTYFLSYIQ-HDICACEKSA-N 2 2 330.520 1.958 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCC[C@H]1C ZINC000338281557 444609259 /nfs/dbraw/zinc/60/92/59/444609259.db2.gz NWHOKQQTQTYPFG-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCC[C@H]1C ZINC000338281557 444609261 /nfs/dbraw/zinc/60/92/61/444609261.db2.gz NWHOKQQTQTYPFG-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCCC[C@H]1C ZINC000338281557 444609265 /nfs/dbraw/zinc/60/92/65/444609265.db2.gz NWHOKQQTQTYPFG-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@H+]1CCCC[C@H]1C ZINC000338281557 444609270 /nfs/dbraw/zinc/60/92/70/444609270.db2.gz NWHOKQQTQTYPFG-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP Cc1c[nH+]c(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000333301731 444655793 /nfs/dbraw/zinc/65/57/93/444655793.db2.gz HSGFVQGBWGRXIC-YLFCFFPRSA-N 3 2 346.523 2.574 20 0 EDADLP Cc1c[nH+]c(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000333301731 444655795 /nfs/dbraw/zinc/65/57/95/444655795.db2.gz HSGFVQGBWGRXIC-YLFCFFPRSA-N 3 2 346.523 2.574 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333927585 444721107 /nfs/dbraw/zinc/72/11/07/444721107.db2.gz WOBSELNVCIVJTD-LSDHHAIUSA-N 2 2 327.432 1.596 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)sc2n1 ZINC000329822564 444730018 /nfs/dbraw/zinc/73/00/18/444730018.db2.gz HEMTUDQOUGXUTG-UHFFFAOYSA-N 2 2 330.417 1.562 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000344041431 444745504 /nfs/dbraw/zinc/74/55/04/444745504.db2.gz AVEOCMILGAIWOD-QWHCGFSZSA-N 2 2 325.478 1.491 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000344041431 444745510 /nfs/dbraw/zinc/74/55/10/444745510.db2.gz AVEOCMILGAIWOD-QWHCGFSZSA-N 2 2 325.478 1.491 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000344041431 444745515 /nfs/dbraw/zinc/74/55/15/444745515.db2.gz AVEOCMILGAIWOD-QWHCGFSZSA-N 2 2 325.478 1.491 20 0 EDADLP CO[C@@H]1C[C@@H](CO)[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000344041431 444745518 /nfs/dbraw/zinc/74/55/18/444745518.db2.gz AVEOCMILGAIWOD-QWHCGFSZSA-N 2 2 325.478 1.491 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000341330801 444782253 /nfs/dbraw/zinc/78/22/53/444782253.db2.gz ZNWQBWCFIIWFFJ-UHFFFAOYSA-N 2 2 344.459 1.882 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2C)C[C@H]1CC ZINC000342673204 444808289 /nfs/dbraw/zinc/80/82/89/444808289.db2.gz ZVYCZCSDUANTRL-MRXNPFEDSA-N 2 2 337.468 1.334 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2C)C[C@H]1CC ZINC000342673204 444808291 /nfs/dbraw/zinc/80/82/91/444808291.db2.gz ZVYCZCSDUANTRL-MRXNPFEDSA-N 2 2 337.468 1.334 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]C2CC[NH+](C)CC2)cc[nH+]1 ZINC000341393043 444809016 /nfs/dbraw/zinc/80/90/16/444809016.db2.gz YULCFMBVQWIVRY-DZGCQCFKSA-N 3 2 336.459 1.143 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000336869663 444813087 /nfs/dbraw/zinc/81/30/87/444813087.db2.gz DHWYSJGUKAOWSH-CABCVRRESA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1C ZINC000336869663 444813089 /nfs/dbraw/zinc/81/30/89/444813089.db2.gz DHWYSJGUKAOWSH-CABCVRRESA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[NH+]1C ZINC000336869663 444813091 /nfs/dbraw/zinc/81/30/91/444813091.db2.gz DHWYSJGUKAOWSH-CABCVRRESA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[NH+]1C ZINC000336869663 444813093 /nfs/dbraw/zinc/81/30/93/444813093.db2.gz DHWYSJGUKAOWSH-CABCVRRESA-N 2 2 340.489 1.883 20 0 EDADLP CCOC[C@H](O)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338637844 444786700 /nfs/dbraw/zinc/78/67/00/444786700.db2.gz QBXUDLROMNZONZ-HUUCEWRRSA-N 2 2 339.505 1.827 20 0 EDADLP CCOC[C@H](O)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338637844 444786704 /nfs/dbraw/zinc/78/67/04/444786704.db2.gz QBXUDLROMNZONZ-HUUCEWRRSA-N 2 2 339.505 1.827 20 0 EDADLP C[NH+](C)CC1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CCCC1 ZINC000341575513 444903215 /nfs/dbraw/zinc/90/32/15/444903215.db2.gz YFGYKTURCXQXNK-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+](C)CC1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCCC1 ZINC000341575513 444903220 /nfs/dbraw/zinc/90/32/20/444903220.db2.gz YFGYKTURCXQXNK-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c[nH+]1 ZINC000338998998 444978115 /nfs/dbraw/zinc/97/81/15/444978115.db2.gz JTPPEQNBWDUVJQ-UHFFFAOYSA-N 2 2 337.489 1.823 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c[nH+]1 ZINC000338998998 444978117 /nfs/dbraw/zinc/97/81/17/444978117.db2.gz JTPPEQNBWDUVJQ-UHFFFAOYSA-N 2 2 337.489 1.823 20 0 EDADLP CCCOc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000341660648 444937676 /nfs/dbraw/zinc/93/76/76/444937676.db2.gz QSDZJCSSFHREQY-OAHLLOKOSA-N 2 2 349.475 1.909 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900274 445060713 /nfs/dbraw/zinc/06/07/13/445060713.db2.gz XKPOZLOIJOAACU-CEXWTWQISA-N 2 2 343.471 1.630 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900274 445060719 /nfs/dbraw/zinc/06/07/19/445060719.db2.gz XKPOZLOIJOAACU-CEXWTWQISA-N 2 2 343.471 1.630 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[NH+]2C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341900274 445060725 /nfs/dbraw/zinc/06/07/25/445060725.db2.gz XKPOZLOIJOAACU-CEXWTWQISA-N 2 2 343.471 1.630 20 0 EDADLP O=C1C[C@H]2CC[C@@H](CN1)[NH+]2C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341900274 445060730 /nfs/dbraw/zinc/06/07/30/445060730.db2.gz XKPOZLOIJOAACU-CEXWTWQISA-N 2 2 343.471 1.630 20 0 EDADLP CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000344632533 445096179 /nfs/dbraw/zinc/09/61/79/445096179.db2.gz IAKJAWXYCXQLKO-UHFFFAOYSA-N 2 2 347.507 1.575 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000344658627 445109947 /nfs/dbraw/zinc/10/99/47/445109947.db2.gz ITYCHAAPGSNIHX-RDJZCZTQSA-N 2 2 330.476 1.954 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CCC1 ZINC000342106100 445175100 /nfs/dbraw/zinc/17/51/00/445175100.db2.gz OSNJFUSISFSJSN-UHFFFAOYSA-N 2 2 341.337 1.991 20 0 EDADLP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000337593871 445156594 /nfs/dbraw/zinc/15/65/94/445156594.db2.gz JGYHDNHRDGRHPI-KRWDZBQOSA-N 2 2 337.508 1.822 20 0 EDADLP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000343429126 445221017 /nfs/dbraw/zinc/22/10/17/445221017.db2.gz FOMRJIXCJWXMIZ-CRAIPNDOSA-N 2 2 330.476 1.114 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000343484493 445231835 /nfs/dbraw/zinc/23/18/35/445231835.db2.gz VVXPVXYTZGZIEF-KSSFIOAISA-N 2 2 331.460 1.426 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000343484493 445231837 /nfs/dbraw/zinc/23/18/37/445231837.db2.gz VVXPVXYTZGZIEF-KSSFIOAISA-N 2 2 331.460 1.426 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343532689 445239725 /nfs/dbraw/zinc/23/97/25/445239725.db2.gz GHRKBALAKFJYBV-UONOGXRCSA-N 2 2 327.469 1.249 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343532689 445239727 /nfs/dbraw/zinc/23/97/27/445239727.db2.gz GHRKBALAKFJYBV-UONOGXRCSA-N 2 2 327.469 1.249 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343532689 445239728 /nfs/dbraw/zinc/23/97/28/445239728.db2.gz GHRKBALAKFJYBV-UONOGXRCSA-N 2 2 327.469 1.249 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343532689 445239730 /nfs/dbraw/zinc/23/97/30/445239730.db2.gz GHRKBALAKFJYBV-UONOGXRCSA-N 2 2 327.469 1.249 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000343527739 445239196 /nfs/dbraw/zinc/23/91/96/445239196.db2.gz LHFMVSOSWSRMKF-DOTOQJQBSA-N 2 2 328.464 1.510 20 0 EDADLP CCCCNC(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348098639 445267021 /nfs/dbraw/zinc/26/70/21/445267021.db2.gz FEOVUUORLPKGNJ-GJZGRUSLSA-N 2 2 339.459 1.181 20 0 EDADLP CCCCNC(=O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348098639 445267024 /nfs/dbraw/zinc/26/70/24/445267024.db2.gz FEOVUUORLPKGNJ-GJZGRUSLSA-N 2 2 339.459 1.181 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccn(C)n3)CC2)C[C@H](C)O1 ZINC000343565826 445245009 /nfs/dbraw/zinc/24/50/09/445245009.db2.gz RFDPKWYSBKIPFH-IYBDPMFKSA-N 2 2 336.480 1.510 20 0 EDADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccn(C)n3)CC2)C[C@H](C)O1 ZINC000343565826 445245011 /nfs/dbraw/zinc/24/50/11/445245011.db2.gz RFDPKWYSBKIPFH-IYBDPMFKSA-N 2 2 336.480 1.510 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)C1 ZINC000347856232 445251230 /nfs/dbraw/zinc/25/12/30/445251230.db2.gz WDYKZYKVFQCWOC-QAPCUYQASA-N 2 2 325.460 2.485 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)C1 ZINC000347856232 445251233 /nfs/dbraw/zinc/25/12/33/445251233.db2.gz WDYKZYKVFQCWOC-QAPCUYQASA-N 2 2 325.460 2.485 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000354474064 445254107 /nfs/dbraw/zinc/25/41/07/445254107.db2.gz WZLDRVMVXVDIBH-INIZCTEOSA-N 2 2 346.479 1.070 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000354474064 445254109 /nfs/dbraw/zinc/25/41/09/445254109.db2.gz WZLDRVMVXVDIBH-INIZCTEOSA-N 2 2 346.479 1.070 20 0 EDADLP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1nc(C(C)(C)C)no1 ZINC000348531687 445316793 /nfs/dbraw/zinc/31/67/93/445316793.db2.gz DPAFTDVFNKSYSO-LBPRGKRZSA-N 2 2 349.479 1.761 20 0 EDADLP CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000348233511 445324136 /nfs/dbraw/zinc/32/41/36/445324136.db2.gz JWZUODGJPMUMQG-VQIMIIECSA-N 2 2 346.475 1.620 20 0 EDADLP CO[C@]1(C)CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000348233511 445324140 /nfs/dbraw/zinc/32/41/40/445324140.db2.gz JWZUODGJPMUMQG-VQIMIIECSA-N 2 2 346.475 1.620 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@@H]2CC(F)F)CC1 ZINC000354632678 445322048 /nfs/dbraw/zinc/32/20/48/445322048.db2.gz OBOJPWUUVIVJNR-AWEZNQCLSA-N 2 2 348.438 1.078 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3ccnn3C)c2cc1C ZINC000348376326 445270053 /nfs/dbraw/zinc/27/00/53/445270053.db2.gz QWDCPBJLKLUAGO-INIZCTEOSA-N 2 2 327.432 1.880 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3ccnn3C)c2cc1C ZINC000348376326 445270057 /nfs/dbraw/zinc/27/00/57/445270057.db2.gz QWDCPBJLKLUAGO-INIZCTEOSA-N 2 2 327.432 1.880 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCC[N@@H+]1C ZINC000343638005 445274852 /nfs/dbraw/zinc/27/48/52/445274852.db2.gz YCLHOYRCMFJACK-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCC[N@H+]1C ZINC000343638005 445274855 /nfs/dbraw/zinc/27/48/55/445274855.db2.gz YCLHOYRCMFJACK-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000348407938 445280218 /nfs/dbraw/zinc/28/02/18/445280218.db2.gz XLFWVQUTDXSKSX-PMACEKPBSA-N 2 2 349.519 1.426 20 0 EDADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000348407938 445280221 /nfs/dbraw/zinc/28/02/21/445280221.db2.gz XLFWVQUTDXSKSX-PMACEKPBSA-N 2 2 349.519 1.426 20 0 EDADLP Cc1ccc(C)c(OCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000343664076 445290588 /nfs/dbraw/zinc/29/05/88/445290588.db2.gz JFIGEIYNCZUNOO-UHFFFAOYSA-N 2 2 345.487 1.922 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000351740753 445302722 /nfs/dbraw/zinc/30/27/22/445302722.db2.gz BYMWTGDMZTZTHT-RBUKOAKNSA-N 2 2 343.471 1.440 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000351740753 445302726 /nfs/dbraw/zinc/30/27/26/445302726.db2.gz BYMWTGDMZTZTHT-RBUKOAKNSA-N 2 2 343.471 1.440 20 0 EDADLP CCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)N(C)C ZINC000351860769 445345663 /nfs/dbraw/zinc/34/56/63/445345663.db2.gz YTFTUPWVXRHJEP-UHFFFAOYSA-N 2 2 346.519 1.999 20 0 EDADLP CCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)N(C)C ZINC000351860769 445345665 /nfs/dbraw/zinc/34/56/65/445345665.db2.gz YTFTUPWVXRHJEP-UHFFFAOYSA-N 2 2 346.519 1.999 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362398072 445359261 /nfs/dbraw/zinc/35/92/61/445359261.db2.gz QFGPIVRYZJHAEZ-WBVHZDCISA-N 2 2 331.460 1.380 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362398072 445359264 /nfs/dbraw/zinc/35/92/64/445359264.db2.gz QFGPIVRYZJHAEZ-WBVHZDCISA-N 2 2 331.460 1.380 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362398072 445359268 /nfs/dbraw/zinc/35/92/68/445359268.db2.gz QFGPIVRYZJHAEZ-WBVHZDCISA-N 2 2 331.460 1.380 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000362398072 445359271 /nfs/dbraw/zinc/35/92/71/445359271.db2.gz QFGPIVRYZJHAEZ-WBVHZDCISA-N 2 2 331.460 1.380 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc[nH+]1 ZINC000362424215 445375005 /nfs/dbraw/zinc/37/50/05/445375005.db2.gz GKXRFNBIPZPVSX-RHSMWYFYSA-N 2 2 331.464 1.302 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000351974545 445410384 /nfs/dbraw/zinc/41/03/84/445410384.db2.gz IIIDUFIPNVIRPJ-UAGQMJEPSA-N 2 2 336.501 1.942 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000351974545 445410388 /nfs/dbraw/zinc/41/03/88/445410388.db2.gz IIIDUFIPNVIRPJ-UAGQMJEPSA-N 2 2 336.501 1.942 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000351974545 445410393 /nfs/dbraw/zinc/41/03/93/445410393.db2.gz IIIDUFIPNVIRPJ-UAGQMJEPSA-N 2 2 336.501 1.942 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000351974545 445410397 /nfs/dbraw/zinc/41/03/97/445410397.db2.gz IIIDUFIPNVIRPJ-UAGQMJEPSA-N 2 2 336.501 1.942 20 0 EDADLP COCCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000362510106 445418311 /nfs/dbraw/zinc/41/83/11/445418311.db2.gz KEBOHKKPUMBPOH-RTBURBONSA-N 2 2 349.475 1.456 20 0 EDADLP COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000362513098 445418768 /nfs/dbraw/zinc/41/87/68/445418768.db2.gz UAFCTPYRYZKYLU-JKSUJKDBSA-N 2 2 337.445 1.844 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1OC ZINC000357088636 445419795 /nfs/dbraw/zinc/41/97/95/445419795.db2.gz OJRJBKYGDDXYBM-ZBFHGGJFSA-N 2 2 347.459 1.204 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1OC ZINC000357088636 445419797 /nfs/dbraw/zinc/41/97/97/445419797.db2.gz OJRJBKYGDDXYBM-ZBFHGGJFSA-N 2 2 347.459 1.204 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000357020024 445379058 /nfs/dbraw/zinc/37/90/58/445379058.db2.gz BIZSIGMKDJFMAG-QAPCUYQASA-N 2 2 345.466 1.874 20 0 EDADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000351947067 445392278 /nfs/dbraw/zinc/39/22/78/445392278.db2.gz LVWHOANKKKSHCD-CABCVRRESA-N 2 2 339.459 1.133 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000351947067 445392282 /nfs/dbraw/zinc/39/22/82/445392282.db2.gz LVWHOANKKKSHCD-CABCVRRESA-N 2 2 339.459 1.133 20 0 EDADLP CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000355814328 445491785 /nfs/dbraw/zinc/49/17/85/445491785.db2.gz SYMJFNQEYOPYOV-HNNXBMFYSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000355814328 445491787 /nfs/dbraw/zinc/49/17/87/445491787.db2.gz SYMJFNQEYOPYOV-HNNXBMFYSA-N 2 2 325.497 1.724 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000362677653 445495432 /nfs/dbraw/zinc/49/54/32/445495432.db2.gz ZLZPNRPZJSFWFW-KRWDZBQOSA-N 2 2 339.443 1.473 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000362677653 445495436 /nfs/dbraw/zinc/49/54/36/445495436.db2.gz ZLZPNRPZJSFWFW-KRWDZBQOSA-N 2 2 339.443 1.473 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000362760078 445535899 /nfs/dbraw/zinc/53/58/99/445535899.db2.gz OZCSRSLCPJJIEI-VYDXJSESSA-N 2 2 345.491 1.867 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000362760078 445535904 /nfs/dbraw/zinc/53/59/04/445535904.db2.gz OZCSRSLCPJJIEI-VYDXJSESSA-N 2 2 345.491 1.867 20 0 EDADLP CCC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000359961400 445505784 /nfs/dbraw/zinc/50/57/84/445505784.db2.gz SCRVDYNOSWSJSB-OALUTQOASA-N 2 2 332.492 1.919 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)CCC2 ZINC000362788036 445550483 /nfs/dbraw/zinc/55/04/83/445550483.db2.gz MOMVXTINXRCJMC-INIZCTEOSA-N 2 2 349.479 1.481 20 0 EDADLP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362830143 445570936 /nfs/dbraw/zinc/57/09/36/445570936.db2.gz ZBSSWCBDEJPONH-QGZVFWFLSA-N 2 2 331.460 1.578 20 0 EDADLP Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362830143 445570939 /nfs/dbraw/zinc/57/09/39/445570939.db2.gz ZBSSWCBDEJPONH-QGZVFWFLSA-N 2 2 331.460 1.578 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362836009 445573639 /nfs/dbraw/zinc/57/36/39/445573639.db2.gz CQOHIFSIMPBVMY-INIZCTEOSA-N 2 2 344.459 1.138 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362836009 445573644 /nfs/dbraw/zinc/57/36/44/445573644.db2.gz CQOHIFSIMPBVMY-INIZCTEOSA-N 2 2 344.459 1.138 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nc(N)nc(N(C)C)n2)[nH+]1 ZINC000362839469 445575365 /nfs/dbraw/zinc/57/53/65/445575365.db2.gz MESBJEQRJPAQDA-CYBMUJFWSA-N 2 2 342.451 1.300 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nc(N)nc(N(C)C)n2)[nH+]1 ZINC000362839469 445575368 /nfs/dbraw/zinc/57/53/68/445575368.db2.gz MESBJEQRJPAQDA-CYBMUJFWSA-N 2 2 342.451 1.300 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nn(C)c2OC)[C@@H](C)C1 ZINC000360043883 445542770 /nfs/dbraw/zinc/54/27/70/445542770.db2.gz GJTFZGXHWZERDL-YOEHRIQHSA-N 2 2 338.496 1.964 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nn(C)c2OC)[C@@H](C)C1 ZINC000360043883 445542773 /nfs/dbraw/zinc/54/27/73/445542773.db2.gz GJTFZGXHWZERDL-YOEHRIQHSA-N 2 2 338.496 1.964 20 0 EDADLP CC[C@H](C(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1)[NH+](C)C ZINC000362775224 445543640 /nfs/dbraw/zinc/54/36/40/445543640.db2.gz OFMUOFLYJJQGOM-MRXNPFEDSA-N 2 2 329.448 1.988 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C(C)C ZINC000355955781 445543622 /nfs/dbraw/zinc/54/36/22/445543622.db2.gz DCYYWSABFUNOPM-INIZCTEOSA-N 2 2 328.501 1.467 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C)C(C)C ZINC000355955781 445543624 /nfs/dbraw/zinc/54/36/24/445543624.db2.gz DCYYWSABFUNOPM-INIZCTEOSA-N 2 2 328.501 1.467 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000358142977 445607115 /nfs/dbraw/zinc/60/71/15/445607115.db2.gz SAUDWIQUEDGXQU-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000358142977 445607118 /nfs/dbraw/zinc/60/71/18/445607118.db2.gz SAUDWIQUEDGXQU-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000358157259 445608458 /nfs/dbraw/zinc/60/84/58/445608458.db2.gz HEHROJGGEXWIHV-CABCVRRESA-N 2 2 336.484 1.147 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000358157259 445608462 /nfs/dbraw/zinc/60/84/62/445608462.db2.gz HEHROJGGEXWIHV-CABCVRRESA-N 2 2 336.484 1.147 20 0 EDADLP c1cc2nccc(CNc3[nH+]cnc4c3cnn4-c3cc[nH+]cc3)n2n1 ZINC000349586520 445619587 /nfs/dbraw/zinc/61/95/87/445619587.db2.gz JXCJVLKGQFUPDR-UHFFFAOYSA-N 2 2 343.354 1.865 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360212542 445632565 /nfs/dbraw/zinc/63/25/65/445632565.db2.gz JUFBVKSUKHDZLN-KSZLIROESA-N 2 2 339.524 1.922 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360212542 445632570 /nfs/dbraw/zinc/63/25/70/445632570.db2.gz JUFBVKSUKHDZLN-KSZLIROESA-N 2 2 339.524 1.922 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000360245072 445653222 /nfs/dbraw/zinc/65/32/22/445653222.db2.gz KFKFNXWUDOVNJC-HXUWFJFHSA-N 3 2 347.503 1.324 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360245072 445653225 /nfs/dbraw/zinc/65/32/25/445653225.db2.gz KFKFNXWUDOVNJC-HXUWFJFHSA-N 3 2 347.503 1.324 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCC([N@H+](C)CCO)CC3)nc[nH+]2)C1 ZINC000349870793 445704960 /nfs/dbraw/zinc/70/49/60/445704960.db2.gz WWOBVDKOHKISRN-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCC([N@@H+](C)CCO)CC3)nc[nH+]2)C1 ZINC000349870793 445704962 /nfs/dbraw/zinc/70/49/62/445704962.db2.gz WWOBVDKOHKISRN-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCC([N@H+](C)CCO)CC3)[nH+]cn2)C1 ZINC000349870793 445704965 /nfs/dbraw/zinc/70/49/65/445704965.db2.gz WWOBVDKOHKISRN-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCC([N@@H+](C)CCO)CC3)[nH+]cn2)C1 ZINC000349870793 445704967 /nfs/dbraw/zinc/70/49/67/445704967.db2.gz WWOBVDKOHKISRN-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000363338564 445772012 /nfs/dbraw/zinc/77/20/12/445772012.db2.gz IDVFGAXMBQRWLP-CQSZACIVSA-N 2 2 335.423 1.733 20 0 EDADLP COc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000363338564 445772016 /nfs/dbraw/zinc/77/20/16/445772016.db2.gz IDVFGAXMBQRWLP-CQSZACIVSA-N 2 2 335.423 1.733 20 0 EDADLP O[C@@H](COc1ccccc1F)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554741 450425966 /nfs/dbraw/zinc/42/59/66/450425966.db2.gz NJRHLYKQRUQAKX-MRXNPFEDSA-N 2 2 338.423 1.362 20 0 EDADLP COC(=O)[C@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358864636 445818525 /nfs/dbraw/zinc/81/85/25/445818525.db2.gz MBDJALXIZUVJGH-ZNMIVQPWSA-N 2 2 328.453 1.138 20 0 EDADLP COC(=O)[C@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358864636 445818528 /nfs/dbraw/zinc/81/85/28/445818528.db2.gz MBDJALXIZUVJGH-ZNMIVQPWSA-N 2 2 328.453 1.138 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000356412098 445778045 /nfs/dbraw/zinc/77/80/45/445778045.db2.gz RGBGPPPOCQBRSA-ROUUACIJSA-N 2 2 345.443 1.705 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000356412098 445778050 /nfs/dbraw/zinc/77/80/50/445778050.db2.gz RGBGPPPOCQBRSA-ROUUACIJSA-N 2 2 345.443 1.705 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361517449 445798342 /nfs/dbraw/zinc/79/83/42/445798342.db2.gz DCFLZKLQMRZYSX-AWEZNQCLSA-N 2 2 334.464 1.906 20 0 EDADLP CCOC[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000353909751 445809159 /nfs/dbraw/zinc/80/91/59/445809159.db2.gz BOPVLCDTZUBBEW-MSOLQXFVSA-N 2 2 347.507 1.784 20 0 EDADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cn(C)nn3)[nH+]c12 ZINC000350320399 445810983 /nfs/dbraw/zinc/81/09/83/445810983.db2.gz QJHSRQHLMZJHNK-UHFFFAOYSA-N 2 2 349.236 1.866 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000350327505 445812451 /nfs/dbraw/zinc/81/24/51/445812451.db2.gz LVTCEURXTHPUAC-CABCVRRESA-N 2 2 335.452 1.236 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000350327505 445812457 /nfs/dbraw/zinc/81/24/57/445812457.db2.gz LVTCEURXTHPUAC-CABCVRRESA-N 2 2 335.452 1.236 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000363459412 445813761 /nfs/dbraw/zinc/81/37/61/445813761.db2.gz LZOKRLVEUSGTIA-OAHLLOKOSA-N 2 2 335.496 1.827 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000363459412 445813763 /nfs/dbraw/zinc/81/37/63/445813763.db2.gz LZOKRLVEUSGTIA-OAHLLOKOSA-N 2 2 335.496 1.827 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)NCC[NH+]1CCC1)C1CCOCC1 ZINC000356610708 445884098 /nfs/dbraw/zinc/88/40/98/445884098.db2.gz MQZPWKGJJHDPDF-OAHLLOKOSA-N 2 2 335.452 1.376 20 0 EDADLP c1ccc2[nH+]c(CCCNc3cc[nH+]c(N4CCOCC4)n3)[nH]c2c1 ZINC000354075657 445888399 /nfs/dbraw/zinc/88/83/99/445888399.db2.gz NJFRHDSJRVSVBA-UHFFFAOYSA-N 2 2 338.415 2.234 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000361667107 445869113 /nfs/dbraw/zinc/86/91/13/445869113.db2.gz MWAOZDBJKDQRGW-HOTGVXAUSA-N 2 2 334.464 1.766 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000361667107 445869117 /nfs/dbraw/zinc/86/91/17/445869117.db2.gz MWAOZDBJKDQRGW-HOTGVXAUSA-N 2 2 334.464 1.766 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000350749482 445896686 /nfs/dbraw/zinc/89/66/86/445896686.db2.gz VDMHZMNQLCKABM-IIAWOOMASA-N 2 2 337.468 1.670 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000359042399 445904887 /nfs/dbraw/zinc/90/48/87/445904887.db2.gz OVOZWTSBCWTXJP-CVEARBPZSA-N 2 2 342.447 1.755 20 0 EDADLP C[C@@H](O)c1cnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000366020690 445964990 /nfs/dbraw/zinc/96/49/90/445964990.db2.gz BKKZPQPRGVZHIB-CYBMUJFWSA-N 2 2 325.478 1.741 20 0 EDADLP CC(C)[C@@H]1C[NH+](CCOCC[N@@H+]2CCO[C@@H](C(C)C)C2)CCO1 ZINC000351099676 445989552 /nfs/dbraw/zinc/98/95/52/445989552.db2.gz LVNJLMZMGWPHJP-HDICACEKSA-N 2 2 328.497 1.717 20 0 EDADLP CC(C)[C@@H]1C[NH+](CCOCC[N@H+]2CCO[C@@H](C(C)C)C2)CCO1 ZINC000351099676 445989560 /nfs/dbraw/zinc/98/95/60/445989560.db2.gz LVNJLMZMGWPHJP-HDICACEKSA-N 2 2 328.497 1.717 20 0 EDADLP CC(C)[C@@H]1C[N@H+](CCOCC[NH+]2CCO[C@@H](C(C)C)C2)CCO1 ZINC000351099676 445989569 /nfs/dbraw/zinc/98/95/69/445989569.db2.gz LVNJLMZMGWPHJP-HDICACEKSA-N 2 2 328.497 1.717 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](CCOCC[NH+]2CCO[C@@H](C(C)C)C2)CCO1 ZINC000351099676 445989576 /nfs/dbraw/zinc/98/95/76/445989576.db2.gz LVNJLMZMGWPHJP-HDICACEKSA-N 2 2 328.497 1.717 20 0 EDADLP COCC[NH+](CCOC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000365991485 445948490 /nfs/dbraw/zinc/94/84/90/445948490.db2.gz VEEXYPCIBSEDOM-IBGZPJMESA-N 2 2 336.476 1.872 20 0 EDADLP COCC[NH+](CCOC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000365991485 445948494 /nfs/dbraw/zinc/94/84/94/445948494.db2.gz VEEXYPCIBSEDOM-IBGZPJMESA-N 2 2 336.476 1.872 20 0 EDADLP CC1CC[NH+](CC(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC000366116797 446024598 /nfs/dbraw/zinc/02/45/98/446024598.db2.gz ANPBCYHWJUXALL-SFHVURJKSA-N 2 2 336.524 1.204 20 0 EDADLP COc1ccc(OCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369270314 446035958 /nfs/dbraw/zinc/03/59/58/446035958.db2.gz ZUTOWPFKKBOTHD-HNNXBMFYSA-N 2 2 347.459 1.359 20 0 EDADLP COc1ccc(OCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369270314 446035965 /nfs/dbraw/zinc/03/59/65/446035965.db2.gz ZUTOWPFKKBOTHD-HNNXBMFYSA-N 2 2 347.459 1.359 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3COc4ccccc43)C2)CC1 ZINC000369292693 446052986 /nfs/dbraw/zinc/05/29/86/446052986.db2.gz IHIVCBYYPFONRI-PBHICJAKSA-N 2 2 329.444 1.447 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3COc4ccccc43)C2)CC1 ZINC000369292693 446052991 /nfs/dbraw/zinc/05/29/91/446052991.db2.gz IHIVCBYYPFONRI-PBHICJAKSA-N 2 2 329.444 1.447 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)Cc1ccc(OC)c(F)c1 ZINC000583321524 326049823 /nfs/dbraw/zinc/04/98/23/326049823.db2.gz OKADESODLNIRDA-NOLJZWGESA-N 2 2 337.439 1.279 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)Cc1ccc(OC)c(F)c1 ZINC000583321524 326049824 /nfs/dbraw/zinc/04/98/24/326049824.db2.gz OKADESODLNIRDA-NOLJZWGESA-N 2 2 337.439 1.279 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000583381593 326062520 /nfs/dbraw/zinc/06/25/20/326062520.db2.gz RIDVNZCJHLEXCP-SJORKVTESA-N 2 2 326.868 1.680 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000583381593 326062521 /nfs/dbraw/zinc/06/25/21/326062521.db2.gz RIDVNZCJHLEXCP-SJORKVTESA-N 2 2 326.868 1.680 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])ccc21 ZINC000583860146 326153857 /nfs/dbraw/zinc/15/38/57/326153857.db2.gz PBKWLEKTQZPUGE-NVXWUHKLSA-N 3 2 331.464 1.342 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])ccc21 ZINC000583860146 326153860 /nfs/dbraw/zinc/15/38/60/326153860.db2.gz PBKWLEKTQZPUGE-NVXWUHKLSA-N 3 2 331.464 1.342 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356846417 446067296 /nfs/dbraw/zinc/06/72/96/446067296.db2.gz HTHVJBDVMBWZDJ-JKSUJKDBSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000356846417 446067300 /nfs/dbraw/zinc/06/73/00/446067300.db2.gz HTHVJBDVMBWZDJ-JKSUJKDBSA-N 2 2 331.460 1.683 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1cnc2c(c1)NC(=O)CO2 ZINC000373163884 446067860 /nfs/dbraw/zinc/06/78/60/446067860.db2.gz CJXMACJWEVDBHK-UHFFFAOYSA-N 2 2 336.311 1.246 20 0 EDADLP COc1ccc(CC[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000361923599 446073283 /nfs/dbraw/zinc/07/32/83/446073283.db2.gz CTKUJUFISNFYTM-PXNSSMCTSA-N 2 2 347.503 1.574 20 0 EDADLP COc1ccc(CC[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000361923599 446073286 /nfs/dbraw/zinc/07/32/86/446073286.db2.gz CTKUJUFISNFYTM-PXNSSMCTSA-N 2 2 347.503 1.574 20 0 EDADLP COc1ccc(CC[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000361923599 446073291 /nfs/dbraw/zinc/07/32/91/446073291.db2.gz CTKUJUFISNFYTM-PXNSSMCTSA-N 2 2 347.503 1.574 20 0 EDADLP COc1ccc(CC[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000361923599 446073295 /nfs/dbraw/zinc/07/32/95/446073295.db2.gz CTKUJUFISNFYTM-PXNSSMCTSA-N 2 2 347.503 1.574 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000354277155 446075038 /nfs/dbraw/zinc/07/50/38/446075038.db2.gz ZEYDMWKPIUMKQI-ROUUACIJSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000354277155 446075039 /nfs/dbraw/zinc/07/50/39/446075039.db2.gz ZEYDMWKPIUMKQI-ROUUACIJSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354277155 446075042 /nfs/dbraw/zinc/07/50/42/446075042.db2.gz ZEYDMWKPIUMKQI-ROUUACIJSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354277155 446075045 /nfs/dbraw/zinc/07/50/45/446075045.db2.gz ZEYDMWKPIUMKQI-ROUUACIJSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)on1 ZINC000373177323 446077017 /nfs/dbraw/zinc/07/70/17/446077017.db2.gz OTVMAUQLINDEMI-LSDHHAIUSA-N 2 2 349.479 1.410 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)on1 ZINC000373177323 446077024 /nfs/dbraw/zinc/07/70/24/446077024.db2.gz OTVMAUQLINDEMI-LSDHHAIUSA-N 2 2 349.479 1.410 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CCO2)CC1 ZINC000361942922 446092767 /nfs/dbraw/zinc/09/27/67/446092767.db2.gz JVYOXCRGLDCECU-HXUWFJFHSA-N 2 2 329.488 1.624 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CCO2)CC1 ZINC000361942922 446092774 /nfs/dbraw/zinc/09/27/74/446092774.db2.gz JVYOXCRGLDCECU-HXUWFJFHSA-N 2 2 329.488 1.624 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000369359741 446101460 /nfs/dbraw/zinc/10/14/60/446101460.db2.gz SEZJPQRVONNBLF-LJQANCHMSA-N 2 2 330.476 1.857 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000369359741 446101463 /nfs/dbraw/zinc/10/14/63/446101463.db2.gz SEZJPQRVONNBLF-LJQANCHMSA-N 2 2 330.476 1.857 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000369363116 446103996 /nfs/dbraw/zinc/10/39/96/446103996.db2.gz OXEZQHPVWIDFLR-CVEARBPZSA-N 2 2 336.480 1.119 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000369363116 446103999 /nfs/dbraw/zinc/10/39/99/446103999.db2.gz OXEZQHPVWIDFLR-CVEARBPZSA-N 2 2 336.480 1.119 20 0 EDADLP CCNC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000356908420 446115073 /nfs/dbraw/zinc/11/50/73/446115073.db2.gz XOGCMMFYUBTEEK-ZDUSSCGKSA-N 2 2 336.402 1.797 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccc(OC(F)(F)F)cc1 ZINC000359310529 446140993 /nfs/dbraw/zinc/14/09/93/446140993.db2.gz QODSXRVHBARNOM-STQMWFEESA-N 2 2 343.349 1.353 20 0 EDADLP C[N@@H+]1CC[C@@H](CNC(=O)NCCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000365282388 446125071 /nfs/dbraw/zinc/12/50/71/446125071.db2.gz KXPLEDBSNRPVFX-DZGCQCFKSA-N 2 2 333.461 1.937 20 0 EDADLP C[N@H+]1CC[C@@H](CNC(=O)NCCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000365282388 446125079 /nfs/dbraw/zinc/12/50/79/446125079.db2.gz KXPLEDBSNRPVFX-DZGCQCFKSA-N 2 2 333.461 1.937 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000359297117 446130361 /nfs/dbraw/zinc/13/03/61/446130361.db2.gz YKVUBPJTZBJIGI-HUUCEWRRSA-N 2 2 348.878 1.140 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344684 446165242 /nfs/dbraw/zinc/16/52/42/446165242.db2.gz DPANLLYHGOIKMF-HZPDHXFCSA-N 2 2 329.510 1.361 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344684 446165244 /nfs/dbraw/zinc/16/52/44/446165244.db2.gz DPANLLYHGOIKMF-HZPDHXFCSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344684 446165247 /nfs/dbraw/zinc/16/52/47/446165247.db2.gz DPANLLYHGOIKMF-HZPDHXFCSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344684 446165250 /nfs/dbraw/zinc/16/52/50/446165250.db2.gz DPANLLYHGOIKMF-HZPDHXFCSA-N 2 2 329.510 1.361 20 0 EDADLP CCOC[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370025040 446176257 /nfs/dbraw/zinc/17/62/57/446176257.db2.gz CFJZMJYVVWVHIB-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CCOC[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000370025040 446176263 /nfs/dbraw/zinc/17/62/63/446176263.db2.gz CFJZMJYVVWVHIB-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CCc1cccnc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362052369 446179959 /nfs/dbraw/zinc/17/99/59/446179959.db2.gz LXHYSPSBXSIUAV-QGZVFWFLSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1cccnc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362052369 446179969 /nfs/dbraw/zinc/17/99/69/446179969.db2.gz LXHYSPSBXSIUAV-QGZVFWFLSA-N 2 2 330.476 1.885 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000359380620 446186228 /nfs/dbraw/zinc/18/62/28/446186228.db2.gz BDTQZQKPURSVCU-CABCVRRESA-N 2 2 336.480 1.561 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000359380620 446186233 /nfs/dbraw/zinc/18/62/33/446186233.db2.gz BDTQZQKPURSVCU-CABCVRRESA-N 2 2 336.480 1.561 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)CCCOC)[C@@H]1CC12CC[NH2+]CC2 ZINC000370161987 446186954 /nfs/dbraw/zinc/18/69/54/446186954.db2.gz NXQUEDWFHBNUPF-OAHLLOKOSA-N 2 2 334.464 1.800 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000359315847 446144712 /nfs/dbraw/zinc/14/47/12/446144712.db2.gz YDGQVLNRIZKVFK-BETUJISGSA-N 2 2 342.270 1.803 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCCc1cccc(Cl)c1Cl ZINC000359315847 446144720 /nfs/dbraw/zinc/14/47/20/446144720.db2.gz YDGQVLNRIZKVFK-BETUJISGSA-N 2 2 342.270 1.803 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]([NH3+])C(C)(C)C)CC2)CC1 ZINC000366329157 446156496 /nfs/dbraw/zinc/15/64/96/446156496.db2.gz XFVUCHIMHODJEB-QGZVFWFLSA-N 3 2 338.540 1.672 20 0 EDADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000366403945 446196419 /nfs/dbraw/zinc/19/64/19/446196419.db2.gz YXPXIUPHKVGENN-GOSISDBHSA-N 2 2 346.475 1.998 20 0 EDADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000366403945 446196425 /nfs/dbraw/zinc/19/64/25/446196425.db2.gz YXPXIUPHKVGENN-GOSISDBHSA-N 2 2 346.475 1.998 20 0 EDADLP COCCn1cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000362085862 446202983 /nfs/dbraw/zinc/20/29/83/446202983.db2.gz JHGHCDPECOFPMS-UHFFFAOYSA-N 2 2 336.480 1.605 20 0 EDADLP COCCn1cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000362085862 446202987 /nfs/dbraw/zinc/20/29/87/446202987.db2.gz JHGHCDPECOFPMS-UHFFFAOYSA-N 2 2 336.480 1.605 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000373426443 446212732 /nfs/dbraw/zinc/21/27/32/446212732.db2.gz LUGHWVVFKROVMU-MJGOQNOKSA-N 2 2 337.508 1.727 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C2CC2)O1 ZINC000373470392 446228667 /nfs/dbraw/zinc/22/86/67/446228667.db2.gz RIVPZSVGKMDMFI-WMLDXEAASA-N 2 2 331.464 1.228 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@H](C2CC2)O1 ZINC000373470392 446228668 /nfs/dbraw/zinc/22/86/68/446228668.db2.gz RIVPZSVGKMDMFI-WMLDXEAASA-N 2 2 331.464 1.228 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000370352730 446242723 /nfs/dbraw/zinc/24/27/23/446242723.db2.gz CZAFLDHQQCNNKG-QZTJIDSGSA-N 2 2 343.471 1.911 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000370352730 446242727 /nfs/dbraw/zinc/24/27/27/446242727.db2.gz CZAFLDHQQCNNKG-QZTJIDSGSA-N 2 2 343.471 1.911 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365676773 446296994 /nfs/dbraw/zinc/29/69/94/446296994.db2.gz YPDVYFHZQGNEPM-MRXNPFEDSA-N 2 2 342.443 1.925 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365676773 446296995 /nfs/dbraw/zinc/29/69/95/446296995.db2.gz YPDVYFHZQGNEPM-MRXNPFEDSA-N 2 2 342.443 1.925 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)S(=O)(=O)CC[NH+]1CCCC1 ZINC000373681540 446301014 /nfs/dbraw/zinc/30/10/14/446301014.db2.gz BOOKQRMZPDWCHH-UHFFFAOYSA-N 2 2 326.466 1.077 20 0 EDADLP CC(C)(C)n1nnnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000362315664 446316544 /nfs/dbraw/zinc/31/65/44/446316544.db2.gz IDCKXXGELSYKBA-UHFFFAOYSA-N 2 2 336.484 1.505 20 0 EDADLP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+]1CC1CCC2(CC1)OCCO2 ZINC000373812191 446334921 /nfs/dbraw/zinc/33/49/21/446334921.db2.gz KKRLZWGNQNWUIC-ZWKOTPCHSA-N 2 2 338.492 1.841 20 0 EDADLP OC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH+]1CC1CCC2(CC1)OCCO2 ZINC000373812191 446334925 /nfs/dbraw/zinc/33/49/25/446334925.db2.gz KKRLZWGNQNWUIC-ZWKOTPCHSA-N 2 2 338.492 1.841 20 0 EDADLP OC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000373812191 446334928 /nfs/dbraw/zinc/33/49/28/446334928.db2.gz KKRLZWGNQNWUIC-ZWKOTPCHSA-N 2 2 338.492 1.841 20 0 EDADLP OC[C@H]1CCC[NH+]1C[C@@H]1CCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000373812191 446334930 /nfs/dbraw/zinc/33/49/30/446334930.db2.gz KKRLZWGNQNWUIC-ZWKOTPCHSA-N 2 2 338.492 1.841 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000417277158 446337561 /nfs/dbraw/zinc/33/75/61/446337561.db2.gz XAXMUNXTOVVFGN-ZBFHGGJFSA-N 2 2 344.525 1.011 20 0 EDADLP CC[N@H+](Cc1nnc(C)o1)[C@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC000370609862 446357222 /nfs/dbraw/zinc/35/72/22/446357222.db2.gz FKBGPQOPCOICQK-LSDHHAIUSA-N 2 2 346.435 1.165 20 0 EDADLP CC[N@@H+](Cc1nnc(C)o1)[C@H]1CN(c2nc(C)[nH+]c(C)c2C)C[C@H]1O ZINC000370609862 446357225 /nfs/dbraw/zinc/35/72/25/446357225.db2.gz FKBGPQOPCOICQK-LSDHHAIUSA-N 2 2 346.435 1.165 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000417956535 446399244 /nfs/dbraw/zinc/39/92/44/446399244.db2.gz SNQRKEXPQLZHEC-RCBQFDQVSA-N 2 2 338.402 1.843 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000417956535 446399245 /nfs/dbraw/zinc/39/92/45/446399245.db2.gz SNQRKEXPQLZHEC-RCBQFDQVSA-N 2 2 338.402 1.843 20 0 EDADLP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000370616430 446359482 /nfs/dbraw/zinc/35/94/82/446359482.db2.gz SXHWBXMTQGVSAG-AEFFLSMTSA-N 2 2 335.496 1.521 20 0 EDADLP Cc1nnc2ccc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)nn12 ZINC000374257689 446359572 /nfs/dbraw/zinc/35/95/72/446359572.db2.gz RYFMNDSPGSOBNR-ZDUSSCGKSA-N 2 2 329.452 1.037 20 0 EDADLP Cc1nnc2ccc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)nn12 ZINC000374257689 446359576 /nfs/dbraw/zinc/35/95/76/446359576.db2.gz RYFMNDSPGSOBNR-ZDUSSCGKSA-N 2 2 329.452 1.037 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000376183438 446369918 /nfs/dbraw/zinc/36/99/18/446369918.db2.gz YSIPWBJYFWIMSE-IAGOWNOFSA-N 2 2 348.491 1.699 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CCn3c[nH+]cc3C2)n1 ZINC000370678218 446382551 /nfs/dbraw/zinc/38/25/51/446382551.db2.gz VEEBHLFRZMVLTG-NVXWUHKLSA-N 2 2 342.447 2.309 20 0 EDADLP Cn1cc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c(C(C)(C)C)n1 ZINC000374728888 446388496 /nfs/dbraw/zinc/38/84/96/446388496.db2.gz FMWDWDQVDQZSMF-UHFFFAOYSA-N 2 2 347.507 1.456 20 0 EDADLP Cn1cc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c(C(C)(C)C)n1 ZINC000374728888 446388499 /nfs/dbraw/zinc/38/84/99/446388499.db2.gz FMWDWDQVDQZSMF-UHFFFAOYSA-N 2 2 347.507 1.456 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1nc(NCC(F)(F)C[NH3+])cc[nH+]1 ZINC000420246555 446430755 /nfs/dbraw/zinc/43/07/55/446430755.db2.gz TVQQNOKUDRABHC-DGCLKSJQSA-N 2 2 329.395 2.098 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000423154860 446441945 /nfs/dbraw/zinc/44/19/45/446441945.db2.gz KEOKHFIZJCHORW-JYYAWHABSA-N 2 2 331.460 1.709 20 0 EDADLP CCNc1nc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000420271719 446443646 /nfs/dbraw/zinc/44/36/46/446443646.db2.gz KLUBYJBBSWYZDW-UONOGXRCSA-N 2 2 347.511 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420271719 446443656 /nfs/dbraw/zinc/44/36/56/446443656.db2.gz KLUBYJBBSWYZDW-UONOGXRCSA-N 2 2 347.511 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420271719 446443660 /nfs/dbraw/zinc/44/36/60/446443660.db2.gz KLUBYJBBSWYZDW-UONOGXRCSA-N 2 2 347.511 1.762 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(O)(C[NH3+])CC1 ZINC000420273998 446445348 /nfs/dbraw/zinc/44/53/48/446445348.db2.gz OHIYASCLHUKGQC-UHFFFAOYSA-N 2 2 329.400 1.702 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH2+]C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417988301 446408515 /nfs/dbraw/zinc/40/85/15/446408515.db2.gz IRODNAIUXBCGDE-HIFRSBDPSA-N 2 2 344.381 1.758 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH2+]C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417988301 446408518 /nfs/dbraw/zinc/40/85/18/446408518.db2.gz IRODNAIUXBCGDE-HIFRSBDPSA-N 2 2 344.381 1.758 20 0 EDADLP CC(CCN1CC[NH+](C2CC2)CC1)CC[NH+]1CCN(C2CC2)CC1 ZINC000411193797 446423945 /nfs/dbraw/zinc/42/39/45/446423945.db2.gz FPFIAPAMNKAGKQ-UHFFFAOYSA-N 2 2 334.552 1.963 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NC1CC[NH2+]CC1 ZINC000418052809 446426408 /nfs/dbraw/zinc/42/64/08/446426408.db2.gz XQZKIVAXYOMAQA-UHFFFAOYSA-N 2 2 336.867 1.749 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NC1CC[NH2+]CC1 ZINC000418052809 446426413 /nfs/dbraw/zinc/42/64/13/446426413.db2.gz XQZKIVAXYOMAQA-UHFFFAOYSA-N 2 2 336.867 1.749 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000420292680 446455599 /nfs/dbraw/zinc/45/55/99/446455599.db2.gz PVLIXLAGNPVBSO-PBHICJAKSA-N 2 2 326.444 1.563 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000420292680 446455602 /nfs/dbraw/zinc/45/56/02/446455602.db2.gz PVLIXLAGNPVBSO-PBHICJAKSA-N 2 2 326.444 1.563 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000420291870 446456714 /nfs/dbraw/zinc/45/67/14/446456714.db2.gz OEUKDPQQSKCCIO-GFCCVEGCSA-N 2 2 339.461 1.557 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000420291870 446456720 /nfs/dbraw/zinc/45/67/20/446456720.db2.gz OEUKDPQQSKCCIO-GFCCVEGCSA-N 2 2 339.461 1.557 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc2cccnc2s1 ZINC000420313264 446478414 /nfs/dbraw/zinc/47/84/14/446478414.db2.gz PMECLTTVOGPLSB-LBPRGKRZSA-N 2 2 333.461 1.511 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc2cccnc2s1 ZINC000420313264 446478422 /nfs/dbraw/zinc/47/84/22/446478422.db2.gz PMECLTTVOGPLSB-LBPRGKRZSA-N 2 2 333.461 1.511 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420316112 446481957 /nfs/dbraw/zinc/48/19/57/446481957.db2.gz XSUPCRXUTMNNJU-XIRDDKMYSA-N 2 2 345.443 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420316112 446481963 /nfs/dbraw/zinc/48/19/63/446481963.db2.gz XSUPCRXUTMNNJU-XIRDDKMYSA-N 2 2 345.443 1.252 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)[C@@H](C)[NH3+] ZINC000423324064 446488360 /nfs/dbraw/zinc/48/83/60/446488360.db2.gz HVJXBKGEYKTSNN-ATNYBXOESA-N 2 2 348.491 1.931 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)[C@H](C)[NH3+] ZINC000423333744 446493598 /nfs/dbraw/zinc/49/35/98/446493598.db2.gz OJTKOGQUGBYRSI-JKIFEVAISA-N 2 2 334.464 1.542 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000367128468 446511718 /nfs/dbraw/zinc/51/17/18/446511718.db2.gz BFUKIQZYNRXZCP-ULQDDVLXSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000367128468 446511723 /nfs/dbraw/zinc/51/17/23/446511723.db2.gz BFUKIQZYNRXZCP-ULQDDVLXSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367128468 446511731 /nfs/dbraw/zinc/51/17/31/446511731.db2.gz BFUKIQZYNRXZCP-ULQDDVLXSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367128468 446511737 /nfs/dbraw/zinc/51/17/37/446511737.db2.gz BFUKIQZYNRXZCP-ULQDDVLXSA-N 2 2 338.496 1.221 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420331097 446500536 /nfs/dbraw/zinc/50/05/36/446500536.db2.gz BMIGLQXVIAJALK-WMLDXEAASA-N 2 2 327.428 1.747 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420331097 446500543 /nfs/dbraw/zinc/50/05/43/446500543.db2.gz BMIGLQXVIAJALK-WMLDXEAASA-N 2 2 327.428 1.747 20 0 EDADLP O[C@H]1CC[N@H+](Cc2ccccc2CNc2cccc(-n3cc[nH+]c3)n2)C1 ZINC000376539250 446564037 /nfs/dbraw/zinc/56/40/37/446564037.db2.gz HNWBAAGVSPDIED-SFHVURJKSA-N 2 2 349.438 2.446 20 0 EDADLP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cccc(-n3cc[nH+]c3)n2)C1 ZINC000376539250 446564041 /nfs/dbraw/zinc/56/40/41/446564041.db2.gz HNWBAAGVSPDIED-SFHVURJKSA-N 2 2 349.438 2.446 20 0 EDADLP CCOC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000367588653 446565878 /nfs/dbraw/zinc/56/58/78/446565878.db2.gz XETNOLRNWGDCQM-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CCOC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000367588653 446565882 /nfs/dbraw/zinc/56/58/82/446565882.db2.gz XETNOLRNWGDCQM-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420390744 446566304 /nfs/dbraw/zinc/56/63/04/446566304.db2.gz AHCXQEZRMHBXTD-YDHLFZDLSA-N 2 2 332.448 1.290 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420390744 446566312 /nfs/dbraw/zinc/56/63/12/446566312.db2.gz AHCXQEZRMHBXTD-YDHLFZDLSA-N 2 2 332.448 1.290 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000423401562 446518487 /nfs/dbraw/zinc/51/84/87/446518487.db2.gz XRVIRFAYOBTOER-HSMVNMDESA-N 2 2 341.402 1.268 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[N@H+]1C[C@@H](C)O ZINC000423401562 446518490 /nfs/dbraw/zinc/51/84/90/446518490.db2.gz XRVIRFAYOBTOER-HSMVNMDESA-N 2 2 341.402 1.268 20 0 EDADLP C[C@H]1CC[N@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000420394789 446568601 /nfs/dbraw/zinc/56/86/01/446568601.db2.gz CRYCGNJIAMXVMN-UONOGXRCSA-N 2 2 326.462 1.386 20 0 EDADLP O=C(N[C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000418386899 446524403 /nfs/dbraw/zinc/52/44/03/446524403.db2.gz RXTOWZCYXCOBMK-INIZCTEOSA-N 2 2 336.867 1.919 20 0 EDADLP CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420351354 446529209 /nfs/dbraw/zinc/52/92/09/446529209.db2.gz WQEDEXOCTXTFHY-KBXCAEBGSA-N 2 2 344.459 1.196 20 0 EDADLP CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420351354 446529217 /nfs/dbraw/zinc/52/92/17/446529217.db2.gz WQEDEXOCTXTFHY-KBXCAEBGSA-N 2 2 344.459 1.196 20 0 EDADLP COC[C@@]1(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CCC[NH2+]1 ZINC000423425073 446531327 /nfs/dbraw/zinc/53/13/27/446531327.db2.gz MHICMXFDFFQIEY-CJNGLKHVSA-N 2 2 341.477 1.477 20 0 EDADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352690 446531995 /nfs/dbraw/zinc/53/19/95/446531995.db2.gz ZOYWDIVQYZZFDL-TZMCWYRMSA-N 2 2 338.402 1.271 20 0 EDADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352690 446532000 /nfs/dbraw/zinc/53/20/00/446532000.db2.gz ZOYWDIVQYZZFDL-TZMCWYRMSA-N 2 2 338.402 1.271 20 0 EDADLP C[C@H]1CC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000420394789 446568609 /nfs/dbraw/zinc/56/86/09/446568609.db2.gz CRYCGNJIAMXVMN-UONOGXRCSA-N 2 2 326.462 1.386 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420354557 446533065 /nfs/dbraw/zinc/53/30/65/446533065.db2.gz ORAXDGIELAZQQE-YOEHRIQHSA-N 2 2 334.439 1.286 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420354557 446533075 /nfs/dbraw/zinc/53/30/75/446533075.db2.gz ORAXDGIELAZQQE-YOEHRIQHSA-N 2 2 334.439 1.286 20 0 EDADLP CCC[C@@H](C(=O)OCC)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420354151 446533254 /nfs/dbraw/zinc/53/32/54/446533254.db2.gz OHWAPEVSJORSAH-AWEZNQCLSA-N 2 2 335.452 1.293 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)C(=O)OC ZINC000420358122 446537240 /nfs/dbraw/zinc/53/72/40/446537240.db2.gz DZQNDLZJFPHQDF-JGGQBBKZSA-N 2 2 327.469 1.188 20 0 EDADLP [NH3+]C[C@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)C1CCCCC1 ZINC000420358522 446537873 /nfs/dbraw/zinc/53/78/73/446537873.db2.gz JIPKBPNNORBTIY-HOTGVXAUSA-N 2 2 347.459 1.440 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418431501 446540839 /nfs/dbraw/zinc/54/08/39/446540839.db2.gz QXHWCUHUVFZFDR-DJIMGWMZSA-N 2 2 332.448 1.191 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418441465 446546397 /nfs/dbraw/zinc/54/63/97/446546397.db2.gz INFJPHUHURHFAE-KRWDZBQOSA-N 2 2 348.491 1.910 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C1CC1 ZINC000418458776 446550968 /nfs/dbraw/zinc/55/09/68/446550968.db2.gz JIWGZYVTMMHALQ-KCQAQPDRSA-N 2 2 340.468 1.697 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C1CC1 ZINC000418458776 446550971 /nfs/dbraw/zinc/55/09/71/446550971.db2.gz JIWGZYVTMMHALQ-KCQAQPDRSA-N 2 2 340.468 1.697 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000420373203 446551048 /nfs/dbraw/zinc/55/10/48/446551048.db2.gz QWZDZQVQRIAEDK-WWGRRREGSA-N 2 2 326.462 1.445 20 0 EDADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccccc1OCC(=O)N(C)C ZINC000423476052 446551288 /nfs/dbraw/zinc/55/12/88/446551288.db2.gz JSQISHYMXRJSSR-NVXWUHKLSA-N 2 2 348.491 1.098 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000420372760 446551403 /nfs/dbraw/zinc/55/14/03/446551403.db2.gz QPARNBYLSGUXAI-CLCXKQKWSA-N 2 2 348.466 1.450 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000418461034 446551988 /nfs/dbraw/zinc/55/19/88/446551988.db2.gz IGOIXRWRKWMTLE-CVEARBPZSA-N 2 2 326.485 1.256 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000418461034 446551997 /nfs/dbraw/zinc/55/19/97/446551997.db2.gz IGOIXRWRKWMTLE-CVEARBPZSA-N 2 2 326.485 1.256 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000423503511 446556900 /nfs/dbraw/zinc/55/69/00/446556900.db2.gz FWGROLKTBHXKDG-BLLLJJGKSA-N 2 2 325.478 1.763 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418602692 446611221 /nfs/dbraw/zinc/61/12/21/446611221.db2.gz NRPJSHILJJJYLM-OAHLLOKOSA-N 2 2 338.452 1.121 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000375162861 446616745 /nfs/dbraw/zinc/61/67/45/446616745.db2.gz XBUURBHFUBQZSN-UHFFFAOYSA-N 2 2 335.452 1.129 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420402729 446576325 /nfs/dbraw/zinc/57/63/25/446576325.db2.gz KJXPOYRCROXDOW-ZIAGYGMSSA-N 2 2 333.432 1.353 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420402729 446576335 /nfs/dbraw/zinc/57/63/35/446576335.db2.gz KJXPOYRCROXDOW-ZIAGYGMSSA-N 2 2 333.432 1.353 20 0 EDADLP CCO[C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000376677172 446644224 /nfs/dbraw/zinc/64/42/24/446644224.db2.gz BQDWCRAMARYBGR-HUUCEWRRSA-N 2 2 334.464 1.799 20 0 EDADLP COCC[C@]1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000423706363 446650557 /nfs/dbraw/zinc/65/05/57/446650557.db2.gz BEMXXRICKSMSNA-LJQANCHMSA-N 2 2 349.450 1.486 20 0 EDADLP CC(C)Oc1nccnc1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368118825 446651855 /nfs/dbraw/zinc/65/18/55/446651855.db2.gz OUGTXEMQDHSBDB-HNNXBMFYSA-N 2 2 333.480 1.869 20 0 EDADLP CC(C)Oc1nccnc1N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368118825 446651863 /nfs/dbraw/zinc/65/18/63/446651863.db2.gz OUGTXEMQDHSBDB-HNNXBMFYSA-N 2 2 333.480 1.869 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423650721 446625182 /nfs/dbraw/zinc/62/51/82/446625182.db2.gz LYTYBIHMZJCJCS-KRWDZBQOSA-N 2 2 345.443 1.608 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423650721 446625189 /nfs/dbraw/zinc/62/51/89/446625189.db2.gz LYTYBIHMZJCJCS-KRWDZBQOSA-N 2 2 345.443 1.608 20 0 EDADLP COC1(CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCC1 ZINC000368073558 446625881 /nfs/dbraw/zinc/62/58/81/446625881.db2.gz FRSNIQKIQSLYAC-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP COC1(CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCC1 ZINC000368073558 446625888 /nfs/dbraw/zinc/62/58/88/446625888.db2.gz FRSNIQKIQSLYAC-OAHLLOKOSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1nc(N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c(C)c(C)[nH+]1 ZINC000434225939 446628328 /nfs/dbraw/zinc/62/83/28/446628328.db2.gz NFWLOKPKLOEKTQ-AWEZNQCLSA-N 2 2 343.435 1.190 20 0 EDADLP Cc1nc(N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c(C)c(C)[nH+]1 ZINC000434225939 446628334 /nfs/dbraw/zinc/62/83/34/446628334.db2.gz NFWLOKPKLOEKTQ-AWEZNQCLSA-N 2 2 343.435 1.190 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423810790 446700787 /nfs/dbraw/zinc/70/07/87/446700787.db2.gz BLTVDASVNGFRQQ-SGIREYDYSA-N 2 2 343.830 1.704 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423810790 446700795 /nfs/dbraw/zinc/70/07/95/446700795.db2.gz BLTVDASVNGFRQQ-SGIREYDYSA-N 2 2 343.830 1.704 20 0 EDADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C(C)(C)n1cncn1 ZINC000368243182 446734294 /nfs/dbraw/zinc/73/42/94/446734294.db2.gz RUZQCTGEXFZLJK-WZYMTQMTSA-N 2 2 348.495 1.075 20 0 EDADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C(C)(C)n1cncn1 ZINC000368243182 446734299 /nfs/dbraw/zinc/73/42/99/446734299.db2.gz RUZQCTGEXFZLJK-WZYMTQMTSA-N 2 2 348.495 1.075 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000371189014 446680670 /nfs/dbraw/zinc/68/06/70/446680670.db2.gz PEBOAYJOJHCMMF-DLBZAZTESA-N 2 2 328.416 1.025 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000371189014 446680672 /nfs/dbraw/zinc/68/06/72/446680672.db2.gz PEBOAYJOJHCMMF-DLBZAZTESA-N 2 2 328.416 1.025 20 0 EDADLP c1cn(CCn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)c[nH+]1 ZINC000371290216 446748271 /nfs/dbraw/zinc/74/82/71/446748271.db2.gz AOPBPRRXTQLYHH-MRXNPFEDSA-N 2 2 339.403 1.143 20 0 EDADLP c1cn(CCn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)c[nH+]1 ZINC000371290216 446748277 /nfs/dbraw/zinc/74/82/77/446748277.db2.gz AOPBPRRXTQLYHH-MRXNPFEDSA-N 2 2 339.403 1.143 20 0 EDADLP CC[C@H](C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000371295477 446752744 /nfs/dbraw/zinc/75/27/44/446752744.db2.gz RRSUHWLVTMGZOR-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000371295477 446752751 /nfs/dbraw/zinc/75/27/51/446752751.db2.gz RRSUHWLVTMGZOR-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000371295477 446752756 /nfs/dbraw/zinc/75/27/56/446752756.db2.gz RRSUHWLVTMGZOR-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H](C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000371295477 446752764 /nfs/dbraw/zinc/75/27/64/446752764.db2.gz RRSUHWLVTMGZOR-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)ccc2[nH+]1 ZINC000454081003 446767725 /nfs/dbraw/zinc/76/77/25/446767725.db2.gz BQJXIINYKFUZFP-OAHLLOKOSA-N 2 2 343.431 1.522 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)ccc2[nH+]1 ZINC000454081003 446767729 /nfs/dbraw/zinc/76/77/29/446767729.db2.gz BQJXIINYKFUZFP-OAHLLOKOSA-N 2 2 343.431 1.522 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)[C@H](C)[NH3+] ZINC000423923132 446772562 /nfs/dbraw/zinc/77/25/62/446772562.db2.gz XGUFNUUOESRFSZ-QCEMKRCNSA-N 2 2 339.459 1.068 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)[C@H](C)[NH3+] ZINC000423923132 446772566 /nfs/dbraw/zinc/77/25/66/446772566.db2.gz XGUFNUUOESRFSZ-QCEMKRCNSA-N 2 2 339.459 1.068 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C[NH3+])C(C)C)on1 ZINC000423926110 446776145 /nfs/dbraw/zinc/77/61/45/446776145.db2.gz OMROZUXNXPMZKC-OFQRWUPVSA-N 2 2 340.443 1.585 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C[NH3+])C(C)C)on1 ZINC000423926110 446776149 /nfs/dbraw/zinc/77/61/49/446776149.db2.gz OMROZUXNXPMZKC-OFQRWUPVSA-N 2 2 340.443 1.585 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+])on1 ZINC000423930019 446782273 /nfs/dbraw/zinc/78/22/73/446782273.db2.gz VGWRVPUKKLNPAT-CRWXNKLISA-N 2 2 326.416 1.337 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+])on1 ZINC000423930019 446782278 /nfs/dbraw/zinc/78/22/78/446782278.db2.gz VGWRVPUKKLNPAT-CRWXNKLISA-N 2 2 326.416 1.337 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000375424516 446789244 /nfs/dbraw/zinc/78/92/44/446789244.db2.gz YYXLLIIKGVCDHU-PNBKFKSVSA-N 2 2 328.460 1.895 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000375424516 446789247 /nfs/dbraw/zinc/78/92/47/446789247.db2.gz YYXLLIIKGVCDHU-PNBKFKSVSA-N 2 2 328.460 1.895 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000423884817 446741300 /nfs/dbraw/zinc/74/13/00/446741300.db2.gz YSRDHLBRSHLIIN-MSOLQXFVSA-N 2 2 331.460 1.646 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000423884817 446741307 /nfs/dbraw/zinc/74/13/07/446741307.db2.gz YSRDHLBRSHLIIN-MSOLQXFVSA-N 2 2 331.460 1.646 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C1 ZINC000371378988 446817704 /nfs/dbraw/zinc/81/77/04/446817704.db2.gz LDZRDLBSHNKBMC-QGZVFWFLSA-N 2 2 349.523 1.546 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C1 ZINC000371378988 446817706 /nfs/dbraw/zinc/81/77/06/446817706.db2.gz LDZRDLBSHNKBMC-QGZVFWFLSA-N 2 2 349.523 1.546 20 0 EDADLP Cc1cc(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc(C)[nH+]1 ZINC000420784779 446819201 /nfs/dbraw/zinc/81/92/01/446819201.db2.gz BYJSAMPHBPLIPP-INIZCTEOSA-N 2 2 347.463 1.085 20 0 EDADLP Cc1cc(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc(C)[nH+]1 ZINC000420784779 446819211 /nfs/dbraw/zinc/81/92/11/446819211.db2.gz BYJSAMPHBPLIPP-INIZCTEOSA-N 2 2 347.463 1.085 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368376978 446823526 /nfs/dbraw/zinc/82/35/26/446823526.db2.gz NECIHEQMWBSGDR-PVAVHDDUSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368376978 446823531 /nfs/dbraw/zinc/82/35/31/446823531.db2.gz NECIHEQMWBSGDR-PVAVHDDUSA-N 2 2 336.480 1.118 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000368392823 446833891 /nfs/dbraw/zinc/83/38/91/446833891.db2.gz HNUXWBXEJALGOO-OAHLLOKOSA-N 2 2 335.452 1.293 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000368392823 446833894 /nfs/dbraw/zinc/83/38/94/446833894.db2.gz HNUXWBXEJALGOO-OAHLLOKOSA-N 2 2 335.452 1.293 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000376928360 446801923 /nfs/dbraw/zinc/80/19/23/446801923.db2.gz AFGIACATMQIPEJ-UHFFFAOYSA-N 3 2 348.495 1.045 20 0 EDADLP CCCCNc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)nc(N)[nH+]1 ZINC000439094732 446805855 /nfs/dbraw/zinc/80/58/55/446805855.db2.gz JMLPXXAOSUNCJB-AWEZNQCLSA-N 2 2 336.484 1.461 20 0 EDADLP CCCCNc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)nc(N)[nH+]1 ZINC000439094732 446805861 /nfs/dbraw/zinc/80/58/61/446805861.db2.gz JMLPXXAOSUNCJB-AWEZNQCLSA-N 2 2 336.484 1.461 20 0 EDADLP CCCCNc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)[nH+]c(N)n1 ZINC000439094732 446805869 /nfs/dbraw/zinc/80/58/69/446805869.db2.gz JMLPXXAOSUNCJB-AWEZNQCLSA-N 2 2 336.484 1.461 20 0 EDADLP CCCCNc1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)[nH+]c(N)n1 ZINC000439094732 446805873 /nfs/dbraw/zinc/80/58/73/446805873.db2.gz JMLPXXAOSUNCJB-AWEZNQCLSA-N 2 2 336.484 1.461 20 0 EDADLP Cc1cc(N2CCC(N(C)C(=O)C[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000377023944 446867939 /nfs/dbraw/zinc/86/79/39/446867939.db2.gz DLYVRVKTPGIWFX-UHFFFAOYSA-N 2 2 333.480 1.897 20 0 EDADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905241 446881288 /nfs/dbraw/zinc/88/12/88/446881288.db2.gz QSNPVQOUXKSYJY-MAUKXSAKSA-N 2 2 331.460 1.605 20 0 EDADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905241 446881293 /nfs/dbraw/zinc/88/12/93/446881293.db2.gz QSNPVQOUXKSYJY-MAUKXSAKSA-N 2 2 331.460 1.605 20 0 EDADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420912800 446885831 /nfs/dbraw/zinc/88/58/31/446885831.db2.gz IIWIJGMLJYHNPR-IBGZPJMESA-N 2 2 343.471 1.762 20 0 EDADLP O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420912800 446885838 /nfs/dbraw/zinc/88/58/38/446885838.db2.gz IIWIJGMLJYHNPR-IBGZPJMESA-N 2 2 343.471 1.762 20 0 EDADLP CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420916626 446887016 /nfs/dbraw/zinc/88/70/16/446887016.db2.gz HYINDQYGVJVNOT-OALUTQOASA-N 2 2 334.460 1.802 20 0 EDADLP CS[C@@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1[NH+](C)C ZINC000420935952 446909761 /nfs/dbraw/zinc/90/97/61/446909761.db2.gz KEHNZPYSZMLPAG-RBUKOAKNSA-N 2 2 349.544 1.996 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000377084772 446910904 /nfs/dbraw/zinc/91/09/04/446910904.db2.gz UGHDOBCHKCNYCT-JYJNAYRXSA-N 2 2 325.453 1.087 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000377084772 446910906 /nfs/dbraw/zinc/91/09/06/446910906.db2.gz UGHDOBCHKCNYCT-JYJNAYRXSA-N 2 2 325.453 1.087 20 0 EDADLP OCC[C@@H]1CSCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420942917 446915972 /nfs/dbraw/zinc/91/59/72/446915972.db2.gz VWTJBDBLPXEGPM-GOSISDBHSA-N 2 2 336.501 1.819 20 0 EDADLP OCC[C@@H]1CSCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420942917 446915980 /nfs/dbraw/zinc/91/59/80/446915980.db2.gz VWTJBDBLPXEGPM-GOSISDBHSA-N 2 2 336.501 1.819 20 0 EDADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1(C(N)=O)CCCC1 ZINC000420950536 446923630 /nfs/dbraw/zinc/92/36/30/446923630.db2.gz ROAGYNKGDNVFOM-UHFFFAOYSA-N 2 2 331.460 1.749 20 0 EDADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1(C(N)=O)CCCC1 ZINC000420950536 446923634 /nfs/dbraw/zinc/92/36/34/446923634.db2.gz ROAGYNKGDNVFOM-UHFFFAOYSA-N 2 2 331.460 1.749 20 0 EDADLP CN1C(=O)C[C@@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000375578326 446902811 /nfs/dbraw/zinc/90/28/11/446902811.db2.gz OUOUISDMKRNVCH-APWZRJJASA-N 2 2 327.428 1.342 20 0 EDADLP CN1C(=O)C[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC000375578326 446902817 /nfs/dbraw/zinc/90/28/17/446902817.db2.gz OUOUISDMKRNVCH-APWZRJJASA-N 2 2 327.428 1.342 20 0 EDADLP CN1C(=O)C[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC000375578326 446902824 /nfs/dbraw/zinc/90/28/24/446902824.db2.gz OUOUISDMKRNVCH-APWZRJJASA-N 2 2 327.428 1.342 20 0 EDADLP CN1C(=O)C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC000375578326 446902835 /nfs/dbraw/zinc/90/28/35/446902835.db2.gz OUOUISDMKRNVCH-APWZRJJASA-N 2 2 327.428 1.342 20 0 EDADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420960893 446932706 /nfs/dbraw/zinc/93/27/06/446932706.db2.gz HPUTXRTZKWXGCS-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420960893 446932711 /nfs/dbraw/zinc/93/27/11/446932711.db2.gz HPUTXRTZKWXGCS-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)CN1CCO ZINC000420960893 446932712 /nfs/dbraw/zinc/93/27/12/446932712.db2.gz HPUTXRTZKWXGCS-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)CN1CCO ZINC000420960893 446932717 /nfs/dbraw/zinc/93/27/17/446932717.db2.gz HPUTXRTZKWXGCS-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000371675442 446947840 /nfs/dbraw/zinc/94/78/40/446947840.db2.gz HLXQZAJGTBQYBO-HOTGVXAUSA-N 3 2 339.528 1.184 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000371675442 446947846 /nfs/dbraw/zinc/94/78/46/446947846.db2.gz HLXQZAJGTBQYBO-HOTGVXAUSA-N 3 2 339.528 1.184 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371675442 446947851 /nfs/dbraw/zinc/94/78/51/446947851.db2.gz HLXQZAJGTBQYBO-HOTGVXAUSA-N 3 2 339.528 1.184 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371675442 446947855 /nfs/dbraw/zinc/94/78/55/446947855.db2.gz HLXQZAJGTBQYBO-HOTGVXAUSA-N 3 2 339.528 1.184 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n(-c2ccccc2F)n1 ZINC000442778792 446965163 /nfs/dbraw/zinc/96/51/63/446965163.db2.gz KVPVEZDKYDAYDJ-KGLIPLIRSA-N 2 2 345.422 1.927 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n(-c2ccccc2F)n1 ZINC000442778792 446965169 /nfs/dbraw/zinc/96/51/69/446965169.db2.gz KVPVEZDKYDAYDJ-KGLIPLIRSA-N 2 2 345.422 1.927 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CCO2)CC1 ZINC000371884399 446972296 /nfs/dbraw/zinc/97/22/96/446972296.db2.gz PXVOBGGDUPJIDA-HKUYNNGSSA-N 2 2 333.451 1.761 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)CCO2)CC1 ZINC000371884399 446972301 /nfs/dbraw/zinc/97/23/01/446972301.db2.gz PXVOBGGDUPJIDA-HKUYNNGSSA-N 2 2 333.451 1.761 20 0 EDADLP CCc1ccc([C@H](CNc2cc(NC[C@@H](C)O)[nH+]cn2)[NH+](C)C)cc1 ZINC000413023902 446986720 /nfs/dbraw/zinc/98/67/20/446986720.db2.gz CFIIQYRTXIJXGZ-PBHICJAKSA-N 2 2 343.475 2.547 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000454865620 446989153 /nfs/dbraw/zinc/98/91/53/446989153.db2.gz OUQGIYYBVGYHGT-UHFFFAOYSA-N 2 2 338.496 1.417 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442918797 446993352 /nfs/dbraw/zinc/99/33/52/446993352.db2.gz KIHYHWDMVWONAP-MRXNPFEDSA-N 2 2 348.472 1.694 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442918797 446993355 /nfs/dbraw/zinc/99/33/55/446993355.db2.gz KIHYHWDMVWONAP-MRXNPFEDSA-N 2 2 348.472 1.694 20 0 EDADLP C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000421027224 446997438 /nfs/dbraw/zinc/99/74/38/446997438.db2.gz SOZGNFVOWDVIOQ-LSDHHAIUSA-N 2 2 339.480 1.060 20 0 EDADLP C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000421027224 446997443 /nfs/dbraw/zinc/99/74/43/446997443.db2.gz SOZGNFVOWDVIOQ-LSDHHAIUSA-N 2 2 339.480 1.060 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C1 ZINC000368642747 447002448 /nfs/dbraw/zinc/00/24/48/447002448.db2.gz OLLSYSLLCIWESA-IAGOWNOFSA-N 2 2 325.497 1.282 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C1 ZINC000368642747 447002452 /nfs/dbraw/zinc/00/24/52/447002452.db2.gz OLLSYSLLCIWESA-IAGOWNOFSA-N 2 2 325.497 1.282 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000375793313 447054217 /nfs/dbraw/zinc/05/42/17/447054217.db2.gz NGSDALKSNOWYAA-OALUTQOASA-N 2 2 326.444 1.903 20 0 EDADLP CC(C)n1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nn1 ZINC000377401324 447112004 /nfs/dbraw/zinc/11/20/04/447112004.db2.gz IQJGDXAKMMYBLB-VHRNVKJDSA-N 2 2 334.468 1.032 20 0 EDADLP CC(C)n1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nn1 ZINC000377401324 447112007 /nfs/dbraw/zinc/11/20/07/447112007.db2.gz IQJGDXAKMMYBLB-VHRNVKJDSA-N 2 2 334.468 1.032 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCN2Cc2c[nH+]c(N(C)C)n2C)C[C@@H](C)O1 ZINC000425328841 447116963 /nfs/dbraw/zinc/11/69/63/447116963.db2.gz SITPWQYXBQILLS-BZUAXINKSA-N 2 2 335.496 1.560 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)NCc2c[nH+]c3n2CCCC3)C[C@H]1C ZINC000377334137 447072912 /nfs/dbraw/zinc/07/29/12/447072912.db2.gz AMAONVFYCPPVJG-HUUCEWRRSA-N 2 2 349.479 1.470 20 0 EDADLP COC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCCC1 ZINC000372475899 447073586 /nfs/dbraw/zinc/07/35/86/447073586.db2.gz ZFWHCUCUUZYCBX-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP COC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCCC1 ZINC000372475899 447073592 /nfs/dbraw/zinc/07/35/92/447073592.db2.gz ZFWHCUCUUZYCBX-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP Cc1ncsc1/C=C/C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372489764 447084794 /nfs/dbraw/zinc/08/47/94/447084794.db2.gz HVPSSOPCENGJJO-RDFMZFSFSA-N 2 2 334.489 1.749 20 0 EDADLP Cc1ncsc1/C=C/C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372489764 447084800 /nfs/dbraw/zinc/08/48/00/447084800.db2.gz HVPSSOPCENGJJO-RDFMZFSFSA-N 2 2 334.489 1.749 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(F)F ZINC000455258164 447099812 /nfs/dbraw/zinc/09/98/12/447099812.db2.gz HHEBGCKKIXSTIG-JKXDFHQYSA-N 2 2 344.450 1.983 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)(F)F ZINC000455258164 447099818 /nfs/dbraw/zinc/09/98/18/447099818.db2.gz HHEBGCKKIXSTIG-JKXDFHQYSA-N 2 2 344.450 1.983 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368847330 447157538 /nfs/dbraw/zinc/15/75/38/447157538.db2.gz XGNNUPGCAYIDOH-JKSUJKDBSA-N 2 2 333.480 1.282 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368847330 447157544 /nfs/dbraw/zinc/15/75/44/447157544.db2.gz XGNNUPGCAYIDOH-JKSUJKDBSA-N 2 2 333.480 1.282 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000444712437 447125734 /nfs/dbraw/zinc/12/57/34/447125734.db2.gz YPSLKQAKUZKCLD-CYBMUJFWSA-N 2 2 325.403 1.949 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cc(F)cc(F)c2)CC1 ZINC000444712437 447125741 /nfs/dbraw/zinc/12/57/41/447125741.db2.gz YPSLKQAKUZKCLD-CYBMUJFWSA-N 2 2 325.403 1.949 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000375954728 447171124 /nfs/dbraw/zinc/17/11/24/447171124.db2.gz OENIVWWSKWBYLV-JKSUJKDBSA-N 2 2 336.480 1.119 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000375954728 447171128 /nfs/dbraw/zinc/17/11/28/447171128.db2.gz OENIVWWSKWBYLV-JKSUJKDBSA-N 2 2 336.480 1.119 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000372596621 447171723 /nfs/dbraw/zinc/17/17/23/447171723.db2.gz YGPOWMLNBUDBNU-HOTGVXAUSA-N 2 2 345.491 2.521 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000372596621 447171729 /nfs/dbraw/zinc/17/17/29/447171729.db2.gz YGPOWMLNBUDBNU-HOTGVXAUSA-N 2 2 345.491 2.521 20 0 EDADLP C[C@@H](NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](C)[NH+]1CCOCC1 ZINC000369047700 447286426 /nfs/dbraw/zinc/28/64/26/447286426.db2.gz ONJICBTXUBIGHQ-OZSLIKBDSA-N 2 2 338.496 1.268 20 0 EDADLP C[C@@H](NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](C)[NH+]1CCOCC1 ZINC000369047700 447286430 /nfs/dbraw/zinc/28/64/30/447286430.db2.gz ONJICBTXUBIGHQ-OZSLIKBDSA-N 2 2 338.496 1.268 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)ccc21 ZINC000455944749 447264157 /nfs/dbraw/zinc/26/41/57/447264157.db2.gz VWKAQZWKMMUBJQ-KZNAEPCWSA-N 2 2 344.459 1.782 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)ccc21 ZINC000455944749 447264163 /nfs/dbraw/zinc/26/41/63/447264163.db2.gz VWKAQZWKMMUBJQ-KZNAEPCWSA-N 2 2 344.459 1.782 20 0 EDADLP CCOc1ccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000372762558 447274018 /nfs/dbraw/zinc/27/40/18/447274018.db2.gz CLKRVAPVBHAKSJ-FXAWDEMLSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1ccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000372762558 447274021 /nfs/dbraw/zinc/27/40/21/447274021.db2.gz CLKRVAPVBHAKSJ-FXAWDEMLSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000372762558 447274023 /nfs/dbraw/zinc/27/40/23/447274023.db2.gz CLKRVAPVBHAKSJ-FXAWDEMLSA-N 2 2 347.503 1.922 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000372762558 447274024 /nfs/dbraw/zinc/27/40/24/447274024.db2.gz CLKRVAPVBHAKSJ-FXAWDEMLSA-N 2 2 347.503 1.922 20 0 EDADLP Cc1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000414249512 447281305 /nfs/dbraw/zinc/28/13/05/447281305.db2.gz FKPRVYVFIGILPR-UHFFFAOYSA-N 2 2 327.476 1.636 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC[C@H]3CCCO3)CC2)CC1 ZINC000422007840 447304704 /nfs/dbraw/zinc/30/47/04/447304704.db2.gz OOMQIRBJGIHKCJ-GOSISDBHSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC[C@H]3CCCO3)CC2)CC1 ZINC000422007840 447304706 /nfs/dbraw/zinc/30/47/06/447304706.db2.gz OOMQIRBJGIHKCJ-GOSISDBHSA-N 2 2 337.508 1.964 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1C ZINC000379788300 447455825 /nfs/dbraw/zinc/45/58/25/447455825.db2.gz JKTKNFLPGJRWCH-WDNDVIMCSA-N 2 2 335.452 1.441 20 0 EDADLP Cc1ccnc(CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000458830694 447484501 /nfs/dbraw/zinc/48/45/01/447484501.db2.gz LTLBWBIZWOIJHG-MRXNPFEDSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1ccnc(CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000458830694 447484508 /nfs/dbraw/zinc/48/45/08/447484508.db2.gz LTLBWBIZWOIJHG-MRXNPFEDSA-N 2 2 345.491 1.700 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(F)(F)F ZINC000390890774 447504243 /nfs/dbraw/zinc/50/42/43/447504243.db2.gz ZBAHHWHJRATRES-CABCVRRESA-N 2 2 332.366 1.790 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426887525 447512726 /nfs/dbraw/zinc/51/27/26/447512726.db2.gz XEWUGAJVIAXXPN-GOSISDBHSA-N 2 2 345.491 1.308 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426887525 447512733 /nfs/dbraw/zinc/51/27/33/447512733.db2.gz XEWUGAJVIAXXPN-GOSISDBHSA-N 2 2 345.491 1.308 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)cc(C)[nH+]1 ZINC000422430601 447547792 /nfs/dbraw/zinc/54/77/92/447547792.db2.gz JOSIWGISJWVPHV-UHFFFAOYSA-N 2 2 344.459 1.305 20 0 EDADLP CC[C@@H](C(=O)NC1CC([N@H+](CC)CC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000427125346 447549565 /nfs/dbraw/zinc/54/95/65/447549565.db2.gz BRVVAYGAANWMSL-NRXISQOPSA-N 2 2 341.496 1.637 20 0 EDADLP CC[C@@H](C(=O)NC1CC([N@@H+](CC)CC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000427125346 447549571 /nfs/dbraw/zinc/54/95/71/447549571.db2.gz BRVVAYGAANWMSL-NRXISQOPSA-N 2 2 341.496 1.637 20 0 EDADLP CC[C@H](C(=O)NC1CC([N@H+](CC)CC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000427125347 447550206 /nfs/dbraw/zinc/55/02/06/447550206.db2.gz BRVVAYGAANWMSL-YMAMQOFZSA-N 2 2 341.496 1.637 20 0 EDADLP CC[C@H](C(=O)NC1CC([N@@H+](CC)CC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000427125347 447550214 /nfs/dbraw/zinc/55/02/14/447550214.db2.gz BRVVAYGAANWMSL-YMAMQOFZSA-N 2 2 341.496 1.637 20 0 EDADLP CN(CC[N@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1)C1CC[NH+](C)CC1 ZINC000459389126 447648540 /nfs/dbraw/zinc/64/85/40/447648540.db2.gz LUZPHAWIZWWWSF-UHFFFAOYSA-N 2 2 333.480 1.517 20 0 EDADLP CN(CC[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1)C1CC[NH+](C)CC1 ZINC000459389126 447648544 /nfs/dbraw/zinc/64/85/44/447648544.db2.gz LUZPHAWIZWWWSF-UHFFFAOYSA-N 2 2 333.480 1.517 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459389126 447648546 /nfs/dbraw/zinc/64/85/46/447648546.db2.gz LUZPHAWIZWWWSF-UHFFFAOYSA-N 2 2 333.480 1.517 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459389126 447648550 /nfs/dbraw/zinc/64/85/50/447648550.db2.gz LUZPHAWIZWWWSF-UHFFFAOYSA-N 2 2 333.480 1.517 20 0 EDADLP C[C@@H]1CC[C@@H](CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)O1 ZINC000459156435 447598078 /nfs/dbraw/zinc/59/80/78/447598078.db2.gz BSPSCNJESXCTKZ-INMHGKMJSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CC[C@@H](CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)O1 ZINC000459156435 447598083 /nfs/dbraw/zinc/59/80/83/447598083.db2.gz BSPSCNJESXCTKZ-INMHGKMJSA-N 2 2 338.496 1.364 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000459159125 447599567 /nfs/dbraw/zinc/59/95/67/447599567.db2.gz ZQOBJLBGQGXHLO-MRXNPFEDSA-N 2 2 333.411 1.704 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420100452 447601337 /nfs/dbraw/zinc/60/13/37/447601337.db2.gz KIETZQJZVHMBQK-KFWWJZLASA-N 2 2 347.463 1.071 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1 ZINC000459186065 447609215 /nfs/dbraw/zinc/60/92/15/447609215.db2.gz UEOJPLFBOKIWQZ-UHFFFAOYSA-N 2 2 347.438 1.875 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000450920723 447619206 /nfs/dbraw/zinc/61/92/06/447619206.db2.gz AHHNSWUSMPTADB-UHFFFAOYSA-N 2 2 332.496 1.293 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000450920723 447619211 /nfs/dbraw/zinc/61/92/11/447619211.db2.gz AHHNSWUSMPTADB-UHFFFAOYSA-N 2 2 332.496 1.293 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420138117 447628898 /nfs/dbraw/zinc/62/88/98/447628898.db2.gz XFSKWLZANVJTFQ-KKUMJFAQSA-N 2 2 347.463 1.213 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420144855 447634073 /nfs/dbraw/zinc/63/40/73/447634073.db2.gz NWDHKGDAFNYAOG-KKUMJFAQSA-N 2 2 347.463 1.071 20 0 EDADLP C[NH2+]CCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416884274 447700120 /nfs/dbraw/zinc/70/01/20/447700120.db2.gz KLSVBMOVVRKNKB-QGZVFWFLSA-N 2 2 334.464 1.277 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416870663 447700814 /nfs/dbraw/zinc/70/08/14/447700814.db2.gz WMUVRJPUNHKNJA-YJBOKZPZSA-N 2 2 346.475 1.445 20 0 EDADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416886602 447701354 /nfs/dbraw/zinc/70/13/54/447701354.db2.gz GXSKWUAJZLWBHR-IAGOWNOFSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)CC[NH2+]1 ZINC000416913864 447707483 /nfs/dbraw/zinc/70/74/83/447707483.db2.gz OHHIDQDSZFLRJH-SWLSCSKDSA-N 2 2 331.395 1.652 20 0 EDADLP CN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F)C1CC([NH3+])C1 ZINC000416920935 447709749 /nfs/dbraw/zinc/70/97/49/447709749.db2.gz UMGRFWKUPXFYCO-KOHJWAIASA-N 2 2 331.395 1.780 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)[nH+]c2c1 ZINC000457945199 447679632 /nfs/dbraw/zinc/67/96/32/447679632.db2.gz LRIOIFGSDFTGCG-GASCZTMLSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)[nH+]c2c1 ZINC000457945199 447679635 /nfs/dbraw/zinc/67/96/35/447679635.db2.gz LRIOIFGSDFTGCG-GASCZTMLSA-N 2 2 345.447 1.239 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451114539 447688563 /nfs/dbraw/zinc/68/85/63/447688563.db2.gz MFLAGFKONMTBFF-YJBOKZPZSA-N 2 2 334.439 1.943 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@](C)(F)C1 ZINC000451114539 447688566 /nfs/dbraw/zinc/68/85/66/447688566.db2.gz MFLAGFKONMTBFF-YJBOKZPZSA-N 2 2 334.439 1.943 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000422813780 447756527 /nfs/dbraw/zinc/75/65/27/447756527.db2.gz ZUGACYSTIGOAMC-QRQLOZEOSA-N 2 2 333.476 1.417 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC[NH2+]CC1 ZINC000422817119 447757355 /nfs/dbraw/zinc/75/73/55/447757355.db2.gz GTLFMLVSNMYIQA-JKSUJKDBSA-N 3 2 327.513 1.874 20 0 EDADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422845845 447767565 /nfs/dbraw/zinc/76/75/65/447767565.db2.gz OWRSBWHFQQILQP-SJORKVTESA-N 3 2 345.491 1.241 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000422857942 447769641 /nfs/dbraw/zinc/76/96/41/447769641.db2.gz HRPWPVGCNPAIPK-WBVHZDCISA-N 2 2 341.459 1.912 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000422919649 447772237 /nfs/dbraw/zinc/77/22/37/447772237.db2.gz KQVVDPNFBUZOFV-AEFFLSMTSA-N 2 2 346.475 1.534 20 0 EDADLP COc1cc(OC)cc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422936504 447775959 /nfs/dbraw/zinc/77/59/59/447775959.db2.gz IKOHKXAGCKXWLP-QZTJIDSGSA-N 2 2 336.432 1.439 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000430557061 447778801 /nfs/dbraw/zinc/77/88/01/447778801.db2.gz MIUPNIKLUOLDGR-MRXNPFEDSA-N 2 2 325.428 1.626 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000430557061 447778805 /nfs/dbraw/zinc/77/88/05/447778805.db2.gz MIUPNIKLUOLDGR-MRXNPFEDSA-N 2 2 325.428 1.626 20 0 EDADLP CC[NH2+]CC1CC[NH+](CCS(=O)(=O)c2cccc(OC)c2)CC1 ZINC000430557034 447778932 /nfs/dbraw/zinc/77/89/32/447778932.db2.gz MBAWLJKNHVWYRW-UHFFFAOYSA-N 2 2 340.489 1.790 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1)C1CC1 ZINC000430595823 447782270 /nfs/dbraw/zinc/78/22/70/447782270.db2.gz YTEYLDNLJKRXQA-SFHVURJKSA-N 2 2 327.432 1.206 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423079912 447800554 /nfs/dbraw/zinc/80/05/54/447800554.db2.gz YUZWKNHTJAHWHF-CJNGLKHVSA-N 2 2 326.462 1.337 20 0 EDADLP CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000452027885 447803434 /nfs/dbraw/zinc/80/34/34/447803434.db2.gz WJWNKZXIPWWQPL-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000423108957 447806805 /nfs/dbraw/zinc/80/68/05/447806805.db2.gz MXVATSXXBBVDDU-CWRNSKLLSA-N 2 2 345.409 1.798 20 0 EDADLP C[NH+](C)[C@]1(C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CCSC1 ZINC000496623979 447835522 /nfs/dbraw/zinc/83/55/22/447835522.db2.gz NSCBYINGNDARHE-CVEARBPZSA-N 2 2 347.525 1.289 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000488559096 447848845 /nfs/dbraw/zinc/84/88/45/447848845.db2.gz HYKZMLKOCVYDCK-JKSUJKDBSA-N 2 2 349.479 1.340 20 0 EDADLP CN(CC[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000497102441 447856692 /nfs/dbraw/zinc/85/66/92/447856692.db2.gz YUBSCLPWUBZYLU-UHFFFAOYSA-N 2 2 340.512 1.564 20 0 EDADLP CN(CC[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000497102441 447856694 /nfs/dbraw/zinc/85/66/94/447856694.db2.gz YUBSCLPWUBZYLU-UHFFFAOYSA-N 2 2 340.512 1.564 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497102441 447856697 /nfs/dbraw/zinc/85/66/97/447856697.db2.gz YUBSCLPWUBZYLU-UHFFFAOYSA-N 2 2 340.512 1.564 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497102441 447856699 /nfs/dbraw/zinc/85/66/99/447856699.db2.gz YUBSCLPWUBZYLU-UHFFFAOYSA-N 2 2 340.512 1.564 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000484443452 447825553 /nfs/dbraw/zinc/82/55/53/447825553.db2.gz IOKXBJNLSPVWTF-TWMKSMIVSA-N 2 2 328.460 1.707 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000484443452 447825555 /nfs/dbraw/zinc/82/55/55/447825555.db2.gz IOKXBJNLSPVWTF-TWMKSMIVSA-N 2 2 328.460 1.707 20 0 EDADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000569709181 447874702 /nfs/dbraw/zinc/87/47/02/447874702.db2.gz OMCGCHTVGMVSRE-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000569709181 447874706 /nfs/dbraw/zinc/87/47/06/447874706.db2.gz OMCGCHTVGMVSRE-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523506225 447890533 /nfs/dbraw/zinc/89/05/33/447890533.db2.gz IBAUYFADQFERCM-AWEZNQCLSA-N 2 2 342.447 1.903 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000523506225 447890537 /nfs/dbraw/zinc/89/05/37/447890537.db2.gz IBAUYFADQFERCM-AWEZNQCLSA-N 2 2 342.447 1.903 20 0 EDADLP CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000523506237 447890882 /nfs/dbraw/zinc/89/08/82/447890882.db2.gz MLNFWDHMZFUXLI-UHFFFAOYSA-N 2 2 342.447 1.856 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[NH+]2CCOCC2)cc1 ZINC000523649182 447895940 /nfs/dbraw/zinc/89/59/40/447895940.db2.gz YINAGVJEXCNROO-ROUUACIJSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[NH+]2CCOCC2)cc1 ZINC000523649182 447895946 /nfs/dbraw/zinc/89/59/46/447895946.db2.gz YINAGVJEXCNROO-ROUUACIJSA-N 2 2 331.460 1.436 20 0 EDADLP C[N@@H+]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000569810984 447896906 /nfs/dbraw/zinc/89/69/06/447896906.db2.gz RESBDTXYYRIZEI-LBPRGKRZSA-N 2 2 335.345 1.842 20 0 EDADLP C[N@H+]1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000569810984 447896914 /nfs/dbraw/zinc/89/69/14/447896914.db2.gz RESBDTXYYRIZEI-LBPRGKRZSA-N 2 2 335.345 1.842 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+]1CC(C)C1 ZINC000569824099 447900364 /nfs/dbraw/zinc/90/03/64/447900364.db2.gz FUIMBDOHHCTIOO-YQQAZPJKSA-N 2 2 333.480 1.259 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+]1CC(C)C1 ZINC000569824099 447900367 /nfs/dbraw/zinc/90/03/67/447900367.db2.gz FUIMBDOHHCTIOO-YQQAZPJKSA-N 2 2 333.480 1.259 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000575985916 447944525 /nfs/dbraw/zinc/94/45/25/447944525.db2.gz FIVZCGJYKNVONR-XYJFISCASA-N 2 2 348.491 1.355 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)[nH+]c12 ZINC000524160260 447917708 /nfs/dbraw/zinc/91/77/08/447917708.db2.gz OVZFJMWXHWUUHV-KRWDZBQOSA-N 2 2 344.459 1.658 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)[nH+]c12 ZINC000524160260 447917715 /nfs/dbraw/zinc/91/77/15/447917715.db2.gz OVZFJMWXHWUUHV-KRWDZBQOSA-N 2 2 344.459 1.658 20 0 EDADLP Cc1ncc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C2CC2)n1 ZINC000575944675 447935416 /nfs/dbraw/zinc/93/54/16/447935416.db2.gz FTSMUONJKNGBLC-UHFFFAOYSA-N 2 2 346.479 1.810 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)CS(C)(=O)=O)c2cc1C ZINC000553261689 447983624 /nfs/dbraw/zinc/98/36/24/447983624.db2.gz PACGERMWUQAHIE-KGLIPLIRSA-N 2 2 339.461 1.037 20 0 EDADLP CSc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000576220238 448001808 /nfs/dbraw/zinc/00/18/08/448001808.db2.gz HXNRFELJCAMYHE-YDHLFZDLSA-N 2 2 325.478 1.363 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496906583 448023265 /nfs/dbraw/zinc/02/32/65/448023265.db2.gz GHMONSIOQAMXMS-SJORKVTESA-N 2 2 341.496 1.774 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000496906583 448023271 /nfs/dbraw/zinc/02/32/71/448023271.db2.gz GHMONSIOQAMXMS-SJORKVTESA-N 2 2 341.496 1.774 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000496906583 448023274 /nfs/dbraw/zinc/02/32/74/448023274.db2.gz GHMONSIOQAMXMS-SJORKVTESA-N 2 2 341.496 1.774 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000531238580 448044500 /nfs/dbraw/zinc/04/45/00/448044500.db2.gz CCWHKGRFZLYFBM-MRXNPFEDSA-N 2 2 332.448 1.658 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H](O)C2)([NH+]2CCCCC2)CC1 ZINC000525887963 448049435 /nfs/dbraw/zinc/04/94/35/448049435.db2.gz DXUBIKSLTNEFDM-SJORKVTESA-N 2 2 337.508 1.604 20 0 EDADLP CC(C)c1ccc(O[C@@H](C)CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000570911766 448083626 /nfs/dbraw/zinc/08/36/26/448083626.db2.gz LPWYCFRJJXKOJQ-RDJZCZTQSA-N 2 2 348.491 1.862 20 0 EDADLP CC(C)c1ccc(O[C@@H](C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000570911766 448083639 /nfs/dbraw/zinc/08/36/39/448083639.db2.gz LPWYCFRJJXKOJQ-RDJZCZTQSA-N 2 2 348.491 1.862 20 0 EDADLP CCO[C@H]1C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000571148983 448110800 /nfs/dbraw/zinc/11/08/00/448110800.db2.gz KWWCMOVYGPMVPG-CVEARBPZSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000531550699 448103222 /nfs/dbraw/zinc/10/32/22/448103222.db2.gz IZPUGQITLWSTIP-PWSUYJOCSA-N 2 2 345.369 1.727 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000531550699 448103226 /nfs/dbraw/zinc/10/32/26/448103226.db2.gz IZPUGQITLWSTIP-PWSUYJOCSA-N 2 2 345.369 1.727 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000502639640 448103352 /nfs/dbraw/zinc/10/33/52/448103352.db2.gz WASKTDBUYPBKQH-CEXWTWQISA-N 2 2 343.471 1.583 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000502639640 448103355 /nfs/dbraw/zinc/10/33/55/448103355.db2.gz WASKTDBUYPBKQH-CEXWTWQISA-N 2 2 343.471 1.583 20 0 EDADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)[C@H]2C1 ZINC000502639640 448103362 /nfs/dbraw/zinc/10/33/62/448103362.db2.gz WASKTDBUYPBKQH-CEXWTWQISA-N 2 2 343.471 1.583 20 0 EDADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3CC[N@H+]3Cc3ccccc3)[C@H]2C1 ZINC000502639640 448103365 /nfs/dbraw/zinc/10/33/65/448103365.db2.gz WASKTDBUYPBKQH-CEXWTWQISA-N 2 2 343.471 1.583 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000502586503 448104507 /nfs/dbraw/zinc/10/45/07/448104507.db2.gz GSFDQIUEUGPMQD-XIRDDKMYSA-N 2 2 332.448 1.157 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000531836434 448155997 /nfs/dbraw/zinc/15/59/97/448155997.db2.gz HQBUDAYIMWWKMK-HRCADAONSA-N 2 2 332.448 1.940 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000531836434 448156000 /nfs/dbraw/zinc/15/60/00/448156000.db2.gz HQBUDAYIMWWKMK-HRCADAONSA-N 2 2 332.448 1.940 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000512433392 448156382 /nfs/dbraw/zinc/15/63/82/448156382.db2.gz ZCVCAWZXLDLVQP-IHRRRGAJSA-N 2 2 342.484 1.910 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000512433392 448156386 /nfs/dbraw/zinc/15/63/86/448156386.db2.gz ZCVCAWZXLDLVQP-IHRRRGAJSA-N 2 2 342.484 1.910 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccsc2Br)[C@@H](C[NH3+])C1 ZINC000576687901 448113584 /nfs/dbraw/zinc/11/35/84/448113584.db2.gz AZRKUQFLQMQVIJ-JTQLQIEISA-N 2 2 347.282 1.295 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccsc2Br)[C@@H](C[NH3+])C1 ZINC000576687901 448113587 /nfs/dbraw/zinc/11/35/87/448113587.db2.gz AZRKUQFLQMQVIJ-JTQLQIEISA-N 2 2 347.282 1.295 20 0 EDADLP Cc1ccc(-c2cnc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)o2)cc1 ZINC000576718739 448125565 /nfs/dbraw/zinc/12/55/65/448125565.db2.gz HEZQFDSVECUVRR-GJZGRUSLSA-N 2 2 326.400 1.394 20 0 EDADLP Cc1ccc(-c2cnc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)o2)cc1 ZINC000576718739 448125570 /nfs/dbraw/zinc/12/55/70/448125570.db2.gz HEZQFDSVECUVRR-GJZGRUSLSA-N 2 2 326.400 1.394 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714376 448132076 /nfs/dbraw/zinc/13/20/76/448132076.db2.gz CGNZQYQWKZFKEQ-MNEFBYGVSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714376 448132080 /nfs/dbraw/zinc/13/20/80/448132080.db2.gz CGNZQYQWKZFKEQ-MNEFBYGVSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714376 448132085 /nfs/dbraw/zinc/13/20/85/448132085.db2.gz CGNZQYQWKZFKEQ-MNEFBYGVSA-N 3 2 344.503 1.424 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714376 448132087 /nfs/dbraw/zinc/13/20/87/448132087.db2.gz CGNZQYQWKZFKEQ-MNEFBYGVSA-N 3 2 344.503 1.424 20 0 EDADLP CN1CC[N@H+](C)[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000576799244 448140613 /nfs/dbraw/zinc/14/06/13/448140613.db2.gz IZOBEIKGTWVIEG-WMZOPIPTSA-N 2 2 345.491 1.603 20 0 EDADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000576799244 448140618 /nfs/dbraw/zinc/14/06/18/448140618.db2.gz IZOBEIKGTWVIEG-WMZOPIPTSA-N 2 2 345.491 1.603 20 0 EDADLP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571433075 448153703 /nfs/dbraw/zinc/15/37/03/448153703.db2.gz PQQQIXWBUCPXOZ-ZJOBFFGXSA-N 2 2 338.496 1.028 20 0 EDADLP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571433075 448153704 /nfs/dbraw/zinc/15/37/04/448153704.db2.gz PQQQIXWBUCPXOZ-ZJOBFFGXSA-N 2 2 338.496 1.028 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3CC[NH3+])CC2)CC1 ZINC000571575121 448173828 /nfs/dbraw/zinc/17/38/28/448173828.db2.gz MRIUNXLDOUKGQZ-UHFFFAOYSA-N 3 2 344.503 1.476 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH+]1CCOCC1 ZINC000571685298 448190909 /nfs/dbraw/zinc/19/09/09/448190909.db2.gz FRYNPYUFFRHTRP-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000571752538 448198021 /nfs/dbraw/zinc/19/80/21/448198021.db2.gz BESRXPMPBHZVBI-DJIMGWMZSA-N 2 2 326.448 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000571752538 448198029 /nfs/dbraw/zinc/19/80/29/448198029.db2.gz BESRXPMPBHZVBI-DJIMGWMZSA-N 2 2 326.448 1.488 20 0 EDADLP OC1(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCOCC1 ZINC000514597412 448167762 /nfs/dbraw/zinc/16/77/62/448167762.db2.gz PBXXZRCHTAXVLV-UHFFFAOYSA-N 2 2 336.398 1.923 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514924348 448225069 /nfs/dbraw/zinc/22/50/69/448225069.db2.gz CDKDTULCESCUOI-UGFHNGPFSA-N 2 2 340.830 1.967 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514924348 448225074 /nfs/dbraw/zinc/22/50/74/448225074.db2.gz CDKDTULCESCUOI-UGFHNGPFSA-N 2 2 340.830 1.967 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CC(F)(F)C[NH3+])c1cccc(F)c1 ZINC000582493895 448253467 /nfs/dbraw/zinc/25/34/67/448253467.db2.gz BXQWSMNAJVJBRI-CYBMUJFWSA-N 2 2 326.322 1.749 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@H]2C1 ZINC000515389133 448307016 /nfs/dbraw/zinc/30/70/16/448307016.db2.gz PCPVOANUPRNZMY-JKSUJKDBSA-N 2 2 328.416 1.578 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@H]2C1 ZINC000515389133 448307018 /nfs/dbraw/zinc/30/70/18/448307018.db2.gz PCPVOANUPRNZMY-JKSUJKDBSA-N 2 2 328.416 1.578 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000582674113 448309159 /nfs/dbraw/zinc/30/91/59/448309159.db2.gz KIBCNWDYQHSGPK-DZGCQCFKSA-N 2 2 339.867 1.989 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000582674113 448309164 /nfs/dbraw/zinc/30/91/64/448309164.db2.gz KIBCNWDYQHSGPK-DZGCQCFKSA-N 2 2 339.867 1.989 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000572114160 448289051 /nfs/dbraw/zinc/28/90/51/448289051.db2.gz GDFHRVMRHDLPPD-AVGNSLFASA-N 2 2 342.461 1.094 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000572117641 448291998 /nfs/dbraw/zinc/29/19/98/448291998.db2.gz JCFKQRXJHXCZPS-GJZGRUSLSA-N 2 2 329.435 1.812 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)/C=C\C[NH+](C)C ZINC000492825386 448305348 /nfs/dbraw/zinc/30/53/48/448305348.db2.gz GMZCOAXBQYPHJZ-FMISOVINSA-N 2 2 331.460 1.635 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)/C=C\C[NH+](C)C ZINC000492825386 448305356 /nfs/dbraw/zinc/30/53/56/448305356.db2.gz GMZCOAXBQYPHJZ-FMISOVINSA-N 2 2 331.460 1.635 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000572331323 448345806 /nfs/dbraw/zinc/34/58/06/448345806.db2.gz CZMDHPGPGVNGAN-CYBMUJFWSA-N 2 2 349.479 1.456 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000572331323 448345811 /nfs/dbraw/zinc/34/58/11/448345811.db2.gz CZMDHPGPGVNGAN-CYBMUJFWSA-N 2 2 349.479 1.456 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)C1 ZINC000527753717 448351974 /nfs/dbraw/zinc/35/19/74/448351974.db2.gz GSFDCYWWCKKSSZ-CYBMUJFWSA-N 2 2 328.359 1.861 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)C1 ZINC000527753717 448351980 /nfs/dbraw/zinc/35/19/80/448351980.db2.gz GSFDCYWWCKKSSZ-CYBMUJFWSA-N 2 2 328.359 1.861 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21)[NH+]1CCOCC1 ZINC000582834555 448352852 /nfs/dbraw/zinc/35/28/52/448352852.db2.gz OXUORVUOUMIQDE-QGZVFWFLSA-N 2 2 346.475 1.283 20 0 EDADLP C[C@H](Cc1ccncc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000493062571 448358567 /nfs/dbraw/zinc/35/85/67/448358567.db2.gz ZNTKDJAZOUTGDV-MRXNPFEDSA-N 2 2 347.507 1.680 20 0 EDADLP C[C@H](Cc1ccncc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000493062571 448358574 /nfs/dbraw/zinc/35/85/74/448358574.db2.gz ZNTKDJAZOUTGDV-MRXNPFEDSA-N 2 2 347.507 1.680 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[N@@H+]1C ZINC000515953007 448365996 /nfs/dbraw/zinc/36/59/96/448365996.db2.gz FHGLZJIYUDYNRB-HNNXBMFYSA-N 2 2 344.463 1.447 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[N@H+]1C ZINC000515953007 448366001 /nfs/dbraw/zinc/36/60/01/448366001.db2.gz FHGLZJIYUDYNRB-HNNXBMFYSA-N 2 2 344.463 1.447 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)C1 ZINC000515611875 448334009 /nfs/dbraw/zinc/33/40/09/448334009.db2.gz GYKKABGYHHHCTP-OWCLPIDISA-N 2 2 333.480 1.462 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)C1 ZINC000515611875 448334012 /nfs/dbraw/zinc/33/40/12/448334012.db2.gz GYKKABGYHHHCTP-OWCLPIDISA-N 2 2 333.480 1.462 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)C1 ZINC000515611875 448334015 /nfs/dbraw/zinc/33/40/15/448334015.db2.gz GYKKABGYHHHCTP-OWCLPIDISA-N 2 2 333.480 1.462 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)C1 ZINC000515611875 448334017 /nfs/dbraw/zinc/33/40/17/448334017.db2.gz GYKKABGYHHHCTP-OWCLPIDISA-N 2 2 333.480 1.462 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000591574034 448393640 /nfs/dbraw/zinc/39/36/40/448393640.db2.gz UWRZDWHFYOCVBS-YYIAUSFCSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000591574034 448393645 /nfs/dbraw/zinc/39/36/45/448393645.db2.gz UWRZDWHFYOCVBS-YYIAUSFCSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000591574034 448393651 /nfs/dbraw/zinc/39/36/51/448393651.db2.gz UWRZDWHFYOCVBS-YYIAUSFCSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000591574034 448393659 /nfs/dbraw/zinc/39/36/59/448393659.db2.gz UWRZDWHFYOCVBS-YYIAUSFCSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)Cn1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C(F)F)n1 ZINC000577829405 448395000 /nfs/dbraw/zinc/39/50/00/448395000.db2.gz LITATOLHZKRLEH-LLVKDONJSA-N 2 2 344.410 1.583 20 0 EDADLP CC(C)Cn1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C(F)F)n1 ZINC000577829405 448395004 /nfs/dbraw/zinc/39/50/04/448395004.db2.gz LITATOLHZKRLEH-LLVKDONJSA-N 2 2 344.410 1.583 20 0 EDADLP C[C@@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)[C@H](C)[NH+]1CCOCC1 ZINC000591589204 448396932 /nfs/dbraw/zinc/39/69/32/448396932.db2.gz VBJKZCQXYVECBN-KGLIPLIRSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000583023581 448406173 /nfs/dbraw/zinc/40/61/73/448406173.db2.gz YLTJLWWQAWJUBA-HCMIALLCSA-N 3 2 337.512 1.065 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000583023581 448406177 /nfs/dbraw/zinc/40/61/77/448406177.db2.gz YLTJLWWQAWJUBA-HCMIALLCSA-N 3 2 337.512 1.065 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000533478014 448408553 /nfs/dbraw/zinc/40/85/53/448408553.db2.gz XAPXHCVNXCDLAM-HZPDHXFCSA-N 2 2 349.479 1.153 20 0 EDADLP Cc1ccccc1CCNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865765 448426275 /nfs/dbraw/zinc/42/62/75/448426275.db2.gz ZOUKVOSKWXGEES-QGZVFWFLSA-N 2 2 326.444 1.877 20 0 EDADLP Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533865765 448426280 /nfs/dbraw/zinc/42/62/80/448426280.db2.gz ZOUKVOSKWXGEES-QGZVFWFLSA-N 2 2 326.444 1.877 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000533865563 448426559 /nfs/dbraw/zinc/42/65/59/448426559.db2.gz QRPCMRDTCDQYKZ-HOCLYGCPSA-N 2 2 342.443 1.923 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000533865563 448426567 /nfs/dbraw/zinc/42/65/67/448426567.db2.gz QRPCMRDTCDQYKZ-HOCLYGCPSA-N 2 2 342.443 1.923 20 0 EDADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000566244938 448428848 /nfs/dbraw/zinc/42/88/48/448428848.db2.gz OARSDNRTLJOVHE-YPMHNXCESA-N 2 2 333.436 1.239 20 0 EDADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000566244938 448428854 /nfs/dbraw/zinc/42/88/54/448428854.db2.gz OARSDNRTLJOVHE-YPMHNXCESA-N 2 2 333.436 1.239 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)CC2 ZINC000566340714 448448996 /nfs/dbraw/zinc/44/89/96/448448996.db2.gz HUAHZSBFLOLFIO-ZFWWWQNUSA-N 2 2 334.464 1.058 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)CC2 ZINC000566340714 448449000 /nfs/dbraw/zinc/44/90/00/448449000.db2.gz HUAHZSBFLOLFIO-ZFWWWQNUSA-N 2 2 334.464 1.058 20 0 EDADLP Cc1nc(C)n(C[C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)n1 ZINC000566351233 448451110 /nfs/dbraw/zinc/45/11/10/448451110.db2.gz AMLBKAKDTRGRJU-LJQANCHMSA-N 2 2 341.459 1.442 20 0 EDADLP Cc1nc(C)n(C[C@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)n1 ZINC000566351233 448451113 /nfs/dbraw/zinc/45/11/13/448451113.db2.gz AMLBKAKDTRGRJU-LJQANCHMSA-N 2 2 341.459 1.442 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(OC[C@H]2CCOC2)c1 ZINC000572834730 448474509 /nfs/dbraw/zinc/47/45/09/448474509.db2.gz YBQASJYAJNSRAX-LPHOPBHVSA-N 2 2 348.487 1.955 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(OC[C@H]2CCOC2)c1 ZINC000572834730 448474517 /nfs/dbraw/zinc/47/45/17/448474517.db2.gz YBQASJYAJNSRAX-LPHOPBHVSA-N 2 2 348.487 1.955 20 0 EDADLP Cc1c[nH+]c(C)nc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000584302047 448479584 /nfs/dbraw/zinc/47/95/84/448479584.db2.gz PULKDSFWSCVOET-UHFFFAOYSA-N 2 2 345.491 1.912 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000572944515 448501751 /nfs/dbraw/zinc/50/17/51/448501751.db2.gz GFUITBKJOGRAQY-JKSUJKDBSA-N 2 2 331.464 1.297 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000516959266 448509549 /nfs/dbraw/zinc/50/95/49/448509549.db2.gz JCTUTQVTOVCKRV-UONOGXRCSA-N 2 2 344.381 1.964 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000516959266 448509551 /nfs/dbraw/zinc/50/95/51/448509551.db2.gz JCTUTQVTOVCKRV-UONOGXRCSA-N 2 2 344.381 1.964 20 0 EDADLP O[C@H](COc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869289 448515378 /nfs/dbraw/zinc/51/53/78/448515378.db2.gz OPZULRKDRYHDEY-CABCVRRESA-N 2 2 345.399 1.689 20 0 EDADLP O[C@H](COc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869289 448515383 /nfs/dbraw/zinc/51/53/83/448515383.db2.gz OPZULRKDRYHDEY-CABCVRRESA-N 2 2 345.399 1.689 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000584463097 448534513 /nfs/dbraw/zinc/53/45/13/448534513.db2.gz DMUCITAIXKIIDV-QRVBRYPASA-N 2 2 343.471 1.605 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000584463097 448534517 /nfs/dbraw/zinc/53/45/17/448534517.db2.gz DMUCITAIXKIIDV-QRVBRYPASA-N 2 2 343.471 1.605 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000584574755 448573715 /nfs/dbraw/zinc/57/37/15/448573715.db2.gz MWDVMDYKEMHAGO-KRWDZBQOSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000584574755 448573722 /nfs/dbraw/zinc/57/37/22/448573722.db2.gz MWDVMDYKEMHAGO-KRWDZBQOSA-N 2 2 326.444 1.991 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000578663442 448607481 /nfs/dbraw/zinc/60/74/81/448607481.db2.gz SWSMCPXYUVTHSG-UHFFFAOYSA-N 2 2 328.420 1.658 20 0 EDADLP CC[NH+]1CCC(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517732637 448610786 /nfs/dbraw/zinc/61/07/86/448610786.db2.gz MMBXHCBHQVSRBD-BQFCYCMXSA-N 3 2 327.513 1.168 20 0 EDADLP C[NH2+]C1CCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000566913403 448584025 /nfs/dbraw/zinc/58/40/25/448584025.db2.gz AXBRCFPKHRVDNH-UHFFFAOYSA-N 2 2 347.459 1.272 20 0 EDADLP C[NH2+]C1CCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000566913403 448584030 /nfs/dbraw/zinc/58/40/30/448584030.db2.gz AXBRCFPKHRVDNH-UHFFFAOYSA-N 2 2 347.459 1.272 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000573281623 448586046 /nfs/dbraw/zinc/58/60/46/448586046.db2.gz FURNHJVETAGJRK-DOTOQJQBSA-N 2 2 347.507 1.398 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000573281623 448586050 /nfs/dbraw/zinc/58/60/50/448586050.db2.gz FURNHJVETAGJRK-DOTOQJQBSA-N 2 2 347.507 1.398 20 0 EDADLP c1cc(N[C@H]2CCCOC2)nc(NC[C@@H]2CCCC[N@@H+]2C2CC2)[nH+]1 ZINC000517550335 448591303 /nfs/dbraw/zinc/59/13/03/448591303.db2.gz MGUMWTCQNPXTQD-HOCLYGCPSA-N 2 2 331.464 2.496 20 0 EDADLP c1cc(N[C@H]2CCCOC2)nc(NC[C@@H]2CCCC[N@H+]2C2CC2)[nH+]1 ZINC000517550335 448591309 /nfs/dbraw/zinc/59/13/09/448591309.db2.gz MGUMWTCQNPXTQD-HOCLYGCPSA-N 2 2 331.464 2.496 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)s1 ZINC000578617461 448594366 /nfs/dbraw/zinc/59/43/66/448594366.db2.gz VOZHNANNCSSIBC-ZWNOBZJWSA-N 2 2 331.507 1.231 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000573318194 448595560 /nfs/dbraw/zinc/59/55/60/448595560.db2.gz LDVHBJPBTBSGPJ-PMACEKPBSA-N 2 2 347.503 1.180 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000573318194 448595565 /nfs/dbraw/zinc/59/55/65/448595565.db2.gz LDVHBJPBTBSGPJ-PMACEKPBSA-N 2 2 347.503 1.180 20 0 EDADLP Cc1c[nH+]c(C)nc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000578643455 448602198 /nfs/dbraw/zinc/60/21/98/448602198.db2.gz ZJWOERJDDVGHRU-QGZVFWFLSA-N 2 2 342.443 1.655 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000518176484 448651269 /nfs/dbraw/zinc/65/12/69/448651269.db2.gz VPBDHQCRIDVMRU-QAPCUYQASA-N 3 2 336.524 1.569 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000528679618 448627439 /nfs/dbraw/zinc/62/74/39/448627439.db2.gz HRZARLSWCFDXJI-AWEZNQCLSA-N 2 2 345.403 1.072 20 0 EDADLP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000573677005 448686794 /nfs/dbraw/zinc/68/67/94/448686794.db2.gz YTTQGXSKAWTUIJ-UKBAYJJMSA-N 2 2 335.492 1.881 20 0 EDADLP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000573677005 448686799 /nfs/dbraw/zinc/68/67/99/448686799.db2.gz YTTQGXSKAWTUIJ-UKBAYJJMSA-N 2 2 335.492 1.881 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000573723988 448699276 /nfs/dbraw/zinc/69/92/76/448699276.db2.gz JZOVRDNIJOCZML-VQIMIIECSA-N 2 2 329.444 1.876 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000573723988 448699281 /nfs/dbraw/zinc/69/92/81/448699281.db2.gz JZOVRDNIJOCZML-VQIMIIECSA-N 2 2 329.444 1.876 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000573740128 448700951 /nfs/dbraw/zinc/70/09/51/448700951.db2.gz FLBMIUMJNXNEMH-KRWDZBQOSA-N 2 2 325.497 1.414 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000573740128 448700955 /nfs/dbraw/zinc/70/09/55/448700955.db2.gz FLBMIUMJNXNEMH-KRWDZBQOSA-N 2 2 325.497 1.414 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000573740128 448700959 /nfs/dbraw/zinc/70/09/59/448700959.db2.gz FLBMIUMJNXNEMH-KRWDZBQOSA-N 2 2 325.497 1.414 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000573740128 448700963 /nfs/dbraw/zinc/70/09/63/448700963.db2.gz FLBMIUMJNXNEMH-KRWDZBQOSA-N 2 2 325.497 1.414 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000567680241 448735723 /nfs/dbraw/zinc/73/57/23/448735723.db2.gz UHMRVETVGYMMQV-IRXDYDNUSA-N 2 2 326.868 1.944 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000567680241 448735727 /nfs/dbraw/zinc/73/57/27/448735727.db2.gz UHMRVETVGYMMQV-IRXDYDNUSA-N 2 2 326.868 1.944 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)no1 ZINC000567684163 448737338 /nfs/dbraw/zinc/73/73/38/448737338.db2.gz CUPGHAIPZVCJAD-WMLDXEAASA-N 2 2 342.443 2.564 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)no1 ZINC000567684163 448737343 /nfs/dbraw/zinc/73/73/43/448737343.db2.gz CUPGHAIPZVCJAD-WMLDXEAASA-N 2 2 342.443 2.564 20 0 EDADLP CCO[C@H](CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000574180732 448811925 /nfs/dbraw/zinc/81/19/25/448811925.db2.gz XIPBNKNYNCKSAV-JKSUJKDBSA-N 2 2 326.485 1.256 20 0 EDADLP CCO[C@H](CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000574180732 448811929 /nfs/dbraw/zinc/81/19/29/448811929.db2.gz XIPBNKNYNCKSAV-JKSUJKDBSA-N 2 2 326.485 1.256 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)[NH+]1CCOCC1 ZINC000579352690 448774833 /nfs/dbraw/zinc/77/48/33/448774833.db2.gz IELSFHHFWDXIRL-WBVHZDCISA-N 2 2 329.460 1.283 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1N1CCCC1 ZINC000579609457 448835872 /nfs/dbraw/zinc/83/58/72/448835872.db2.gz YFVBFRORGLVRGJ-GOSISDBHSA-N 2 2 335.492 1.658 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1N1CCCC1 ZINC000579609457 448835876 /nfs/dbraw/zinc/83/58/76/448835876.db2.gz YFVBFRORGLVRGJ-GOSISDBHSA-N 2 2 335.492 1.658 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000579609457 448835878 /nfs/dbraw/zinc/83/58/78/448835878.db2.gz YFVBFRORGLVRGJ-GOSISDBHSA-N 2 2 335.492 1.658 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000579609457 448835882 /nfs/dbraw/zinc/83/58/82/448835882.db2.gz YFVBFRORGLVRGJ-GOSISDBHSA-N 2 2 335.492 1.658 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000519813869 448849694 /nfs/dbraw/zinc/84/96/94/448849694.db2.gz WHKOBVPRDMVIKB-CQSZACIVSA-N 2 2 333.436 1.348 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000519826287 448853478 /nfs/dbraw/zinc/85/34/78/448853478.db2.gz HQXDWQSWUTZEHL-UHFFFAOYSA-N 3 2 340.418 1.080 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCN(c2cccs2)CC1 ZINC000520234716 448876073 /nfs/dbraw/zinc/87/60/73/448876073.db2.gz BOMQPBDMYZUTHO-IRXDYDNUSA-N 2 2 331.485 1.801 20 0 EDADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000574384698 448859749 /nfs/dbraw/zinc/85/97/49/448859749.db2.gz YQTFICHUFHGVJD-WFASDCNBSA-N 2 2 326.391 1.700 20 0 EDADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(F)cc1F ZINC000574384698 448859752 /nfs/dbraw/zinc/85/97/52/448859752.db2.gz YQTFICHUFHGVJD-WFASDCNBSA-N 2 2 326.391 1.700 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000520365758 448887231 /nfs/dbraw/zinc/88/72/31/448887231.db2.gz HVQPZQWYTPUOOZ-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000520365758 448887234 /nfs/dbraw/zinc/88/72/34/448887234.db2.gz HVQPZQWYTPUOOZ-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)n1cc[nH+]c1 ZINC000574761245 448951439 /nfs/dbraw/zinc/95/14/39/448951439.db2.gz CPCCJJDQXURPIZ-HOCLYGCPSA-N 2 2 338.477 1.158 20 0 EDADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000589133270 448974445 /nfs/dbraw/zinc/97/44/45/448974445.db2.gz MSHKERUQWFVWQN-UHFFFAOYSA-N 2 2 332.327 1.495 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000574734442 448942196 /nfs/dbraw/zinc/94/21/96/448942196.db2.gz WOQOSEDXFNJWGM-OAHLLOKOSA-N 2 2 333.480 1.793 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000574734442 448942204 /nfs/dbraw/zinc/94/22/04/448942204.db2.gz WOQOSEDXFNJWGM-OAHLLOKOSA-N 2 2 333.480 1.793 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)[C@@H]1C ZINC000569299070 448994698 /nfs/dbraw/zinc/99/46/98/448994698.db2.gz UBKGPSUMMGTJRY-VQHPVUNQSA-N 2 2 345.491 1.916 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)nc[nH+]2)C1 ZINC000575019025 449015055 /nfs/dbraw/zinc/01/50/55/449015055.db2.gz JNQRGOHPDIDCRB-UIJGJVKASA-N 2 2 345.491 1.745 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)nc[nH+]2)C1 ZINC000575019025 449015061 /nfs/dbraw/zinc/01/50/61/449015061.db2.gz JNQRGOHPDIDCRB-UIJGJVKASA-N 2 2 345.491 1.745 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)[nH+]cn2)C1 ZINC000575019025 449015065 /nfs/dbraw/zinc/01/50/65/449015065.db2.gz JNQRGOHPDIDCRB-UIJGJVKASA-N 2 2 345.491 1.745 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)[nH+]cn2)C1 ZINC000575019025 449015072 /nfs/dbraw/zinc/01/50/72/449015072.db2.gz JNQRGOHPDIDCRB-UIJGJVKASA-N 2 2 345.491 1.745 20 0 EDADLP COc1ccc2nc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)sc2c1 ZINC000582133287 449020374 /nfs/dbraw/zinc/02/03/74/449020374.db2.gz QPVDIXZHYJQSGT-ZYHUDNBSSA-N 2 2 332.429 1.049 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000582191602 449034191 /nfs/dbraw/zinc/03/41/91/449034191.db2.gz DFHCOOJGCBIUSU-CQSZACIVSA-N 2 2 342.447 1.690 20 0 EDADLP COc1c2ccccc2oc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582231017 449043444 /nfs/dbraw/zinc/04/34/44/449043444.db2.gz BSMVXULDVHBSGX-GFCCVEGCSA-N 2 2 332.404 1.226 20 0 EDADLP COc1c2ccccc2oc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582231017 449043449 /nfs/dbraw/zinc/04/34/49/449043449.db2.gz BSMVXULDVHBSGX-GFCCVEGCSA-N 2 2 332.404 1.226 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000589649652 449046992 /nfs/dbraw/zinc/04/69/92/449046992.db2.gz DTTAJMKWNUYSDH-QGZVFWFLSA-N 2 2 329.448 1.595 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000589649652 449046998 /nfs/dbraw/zinc/04/69/98/449046998.db2.gz DTTAJMKWNUYSDH-QGZVFWFLSA-N 2 2 329.448 1.595 20 0 EDADLP O[C@H](C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000569595901 449053962 /nfs/dbraw/zinc/05/39/62/449053962.db2.gz XPDDJYQMNNLBJF-CQSZACIVSA-N 3 2 332.370 1.107 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000530235483 449089289 /nfs/dbraw/zinc/08/92/89/449089289.db2.gz YUWDCQRGIQTRIF-UAGQMJEPSA-N 2 2 338.473 1.389 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000530235483 449089291 /nfs/dbraw/zinc/08/92/91/449089291.db2.gz YUWDCQRGIQTRIF-UAGQMJEPSA-N 2 2 338.473 1.389 20 0 EDADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000590183938 449114870 /nfs/dbraw/zinc/11/48/70/449114870.db2.gz HNXLRRBRDQJJRF-CVEARBPZSA-N 2 2 339.480 1.252 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000600126884 449205595 /nfs/dbraw/zinc/20/55/95/449205595.db2.gz YWMNDPSBNJVNEX-MRXNPFEDSA-N 2 2 349.475 1.962 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000600126884 449205599 /nfs/dbraw/zinc/20/55/99/449205599.db2.gz YWMNDPSBNJVNEX-MRXNPFEDSA-N 2 2 349.475 1.962 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1C ZINC000590592972 449208363 /nfs/dbraw/zinc/20/83/63/449208363.db2.gz DQWBFZJMLVYKME-MRXNPFEDSA-N 2 2 348.491 1.414 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1C ZINC000590592972 449208368 /nfs/dbraw/zinc/20/83/68/449208368.db2.gz DQWBFZJMLVYKME-MRXNPFEDSA-N 2 2 348.491 1.414 20 0 EDADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000596064814 449343730 /nfs/dbraw/zinc/34/37/30/449343730.db2.gz AEDTWOUDIPCQCF-HOTGVXAUSA-N 2 2 336.432 1.287 20 0 EDADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000596064814 449343736 /nfs/dbraw/zinc/34/37/36/449343736.db2.gz AEDTWOUDIPCQCF-HOTGVXAUSA-N 2 2 336.432 1.287 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607348007 449600420 /nfs/dbraw/zinc/60/04/20/449600420.db2.gz TYVRFFUQTBUFJU-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607348007 449600425 /nfs/dbraw/zinc/60/04/25/449600425.db2.gz TYVRFFUQTBUFJU-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607348007 449600433 /nfs/dbraw/zinc/60/04/33/449600433.db2.gz TYVRFFUQTBUFJU-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607348007 449600435 /nfs/dbraw/zinc/60/04/35/449600435.db2.gz TYVRFFUQTBUFJU-AEFFLSMTSA-N 2 2 333.476 1.734 20 0 EDADLP Cn1nc(C(=O)OC(C)(C)C)cc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000602502919 449634931 /nfs/dbraw/zinc/63/49/31/449634931.db2.gz IROPNYQYDNGKKK-UHFFFAOYSA-N 2 2 338.452 1.187 20 0 EDADLP CCOC(=O)CCc1cc(NCCC[NH+]2CCCCC2)nc(C)[nH+]1 ZINC000601101612 449691457 /nfs/dbraw/zinc/69/14/57/449691457.db2.gz UEEGFAMNNJIAGY-UHFFFAOYSA-N 2 2 334.464 2.569 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000617725200 449782058 /nfs/dbraw/zinc/78/20/58/449782058.db2.gz IQGJNIOVVOPCFW-SJORKVTESA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000617725200 449782061 /nfs/dbraw/zinc/78/20/61/449782061.db2.gz IQGJNIOVVOPCFW-SJORKVTESA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000617725200 449782066 /nfs/dbraw/zinc/78/20/66/449782066.db2.gz IQGJNIOVVOPCFW-SJORKVTESA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000617725200 449782068 /nfs/dbraw/zinc/78/20/68/449782068.db2.gz IQGJNIOVVOPCFW-SJORKVTESA-N 2 2 345.487 1.660 20 0 EDADLP C[C@H]1C(=O)CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000617765242 449826885 /nfs/dbraw/zinc/82/68/85/449826885.db2.gz YKAVKJJSQNEIAS-GJZGRUSLSA-N 2 2 325.497 1.628 20 0 EDADLP C[C@H]1C(=O)CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000617765242 449826890 /nfs/dbraw/zinc/82/68/90/449826890.db2.gz YKAVKJJSQNEIAS-GJZGRUSLSA-N 2 2 325.497 1.628 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000617765071 449827192 /nfs/dbraw/zinc/82/71/92/449827192.db2.gz SEVWOAVKKXAIRD-SFHVURJKSA-N 3 2 338.540 1.783 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000617765071 449827196 /nfs/dbraw/zinc/82/71/96/449827196.db2.gz SEVWOAVKKXAIRD-SFHVURJKSA-N 3 2 338.540 1.783 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000617765071 449827198 /nfs/dbraw/zinc/82/71/98/449827198.db2.gz SEVWOAVKKXAIRD-SFHVURJKSA-N 3 2 338.540 1.783 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000617765071 449827202 /nfs/dbraw/zinc/82/72/02/449827202.db2.gz SEVWOAVKKXAIRD-SFHVURJKSA-N 3 2 338.540 1.783 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335829 449844721 /nfs/dbraw/zinc/84/47/21/449844721.db2.gz YGSVCTXWIIYJGY-CZUORRHYSA-N 2 2 346.431 1.417 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335829 449844725 /nfs/dbraw/zinc/84/47/25/449844725.db2.gz YGSVCTXWIIYJGY-CZUORRHYSA-N 2 2 346.431 1.417 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000599301060 449874042 /nfs/dbraw/zinc/87/40/42/449874042.db2.gz APMIKVBDVSWNKZ-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000614930526 449883654 /nfs/dbraw/zinc/88/36/54/449883654.db2.gz YVYFFJUHXLHWRR-KRWDZBQOSA-N 2 2 341.459 1.821 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000614930526 449883660 /nfs/dbraw/zinc/88/36/60/449883660.db2.gz YVYFFJUHXLHWRR-KRWDZBQOSA-N 2 2 341.459 1.821 20 0 EDADLP CO[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCC1 ZINC000613004975 449980637 /nfs/dbraw/zinc/98/06/37/449980637.db2.gz JHFJGGIGOYNABC-WFFDWFOESA-N 2 2 335.492 1.571 20 0 EDADLP CO[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCC1 ZINC000613004975 449980646 /nfs/dbraw/zinc/98/06/46/449980646.db2.gz JHFJGGIGOYNABC-WFFDWFOESA-N 2 2 335.492 1.571 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)OC ZINC000609258429 449986219 /nfs/dbraw/zinc/98/62/19/449986219.db2.gz VJCBJGJVPPLQPS-LZWOXQAQSA-N 2 2 336.436 1.224 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)OC ZINC000609258429 449986223 /nfs/dbraw/zinc/98/62/23/449986223.db2.gz VJCBJGJVPPLQPS-LZWOXQAQSA-N 2 2 336.436 1.224 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000615274149 450038916 /nfs/dbraw/zinc/03/89/16/450038916.db2.gz HYKSNISZRAFHEX-HOTGVXAUSA-N 2 2 332.448 1.084 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000615274149 450038922 /nfs/dbraw/zinc/03/89/22/450038922.db2.gz HYKSNISZRAFHEX-HOTGVXAUSA-N 2 2 332.448 1.084 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585601 450086132 /nfs/dbraw/zinc/08/61/32/450086132.db2.gz FQZUKRQZDRFRQM-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585601 450086135 /nfs/dbraw/zinc/08/61/35/450086135.db2.gz FQZUKRQZDRFRQM-GJZGRUSLSA-N 2 2 339.480 1.060 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595473775 450167653 /nfs/dbraw/zinc/16/76/53/450167653.db2.gz LEOXOAVRPDKFMK-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O ZINC000595473775 450167656 /nfs/dbraw/zinc/16/76/56/450167656.db2.gz LEOXOAVRPDKFMK-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC000619899758 450367435 /nfs/dbraw/zinc/36/74/35/450367435.db2.gz PDBRXMWGGIJLDC-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC000619899758 450367436 /nfs/dbraw/zinc/36/74/36/450367436.db2.gz PDBRXMWGGIJLDC-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CN1Cc2ccccc2[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000623237237 450461421 /nfs/dbraw/zinc/46/14/21/450461421.db2.gz UKSVQKRFPQZMNR-PKOBYXMFSA-N 2 2 343.471 1.933 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302575 450489164 /nfs/dbraw/zinc/48/91/64/450489164.db2.gz JWFQZTYHRMQKOK-CYBMUJFWSA-N 2 2 339.403 1.164 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000620500142 450506125 /nfs/dbraw/zinc/50/61/25/450506125.db2.gz TTYFODKTUUZPMC-UHFFFAOYSA-N 2 2 329.404 1.211 20 0 EDADLP CCO[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000625856583 450522603 /nfs/dbraw/zinc/52/26/03/450522603.db2.gz CEQPTHXCCNTSSJ-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C)CC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000620722311 450531438 /nfs/dbraw/zinc/53/14/38/450531438.db2.gz NQHCHQMXEVDYTG-BHIYHBOVSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C)CC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000620722311 450531440 /nfs/dbraw/zinc/53/14/40/450531440.db2.gz NQHCHQMXEVDYTG-BHIYHBOVSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000620722311 450531442 /nfs/dbraw/zinc/53/14/42/450531442.db2.gz NQHCHQMXEVDYTG-BHIYHBOVSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000620722311 450531444 /nfs/dbraw/zinc/53/14/44/450531444.db2.gz NQHCHQMXEVDYTG-BHIYHBOVSA-N 2 2 344.503 1.259 20 0 EDADLP C[C@H]1CC(=O)N(C)c2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000625946266 450539876 /nfs/dbraw/zinc/53/98/76/450539876.db2.gz WUAVJEYCLQIAMQ-JSGCOSHPSA-N 2 2 345.447 1.263 20 0 EDADLP C[C@H]1CC(=O)N(C)c2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000625946266 450539878 /nfs/dbraw/zinc/53/98/78/450539878.db2.gz WUAVJEYCLQIAMQ-JSGCOSHPSA-N 2 2 345.447 1.263 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)COc3ccccc3O2)CC1 ZINC000625993254 450550359 /nfs/dbraw/zinc/55/03/59/450550359.db2.gz OPWFXSCMRUXRMS-IBGZPJMESA-N 2 2 347.459 1.359 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000623617921 450552272 /nfs/dbraw/zinc/55/22/72/450552272.db2.gz VVVYMYJBZREKGT-SFHVURJKSA-N 2 2 341.459 1.361 20 0 EDADLP c1nc2c(s1)CCC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000623895649 450627422 /nfs/dbraw/zinc/62/74/22/450627422.db2.gz YIAWBJIIZJFKQD-LSDHHAIUSA-N 2 2 336.505 1.517 20 0 EDADLP C[NH+](C)C1(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000629388469 450642053 /nfs/dbraw/zinc/64/20/53/450642053.db2.gz CCLUOMDWHRTLEJ-UHFFFAOYSA-N 2 2 326.444 1.906 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)[C@H]1CCC[NH+]1C1CC1 ZINC000629436254 450680690 /nfs/dbraw/zinc/68/06/90/450680690.db2.gz UVHKDTGMJHTSBT-QZTJIDSGSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@H]1CCC[NH+]1C1CC1 ZINC000629436254 450680695 /nfs/dbraw/zinc/68/06/95/450680695.db2.gz UVHKDTGMJHTSBT-QZTJIDSGSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000629436254 450680700 /nfs/dbraw/zinc/68/07/00/450680700.db2.gz UVHKDTGMJHTSBT-QZTJIDSGSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@@H]1C[NH+](Cc2ccncc2)CCO1)[C@H]1CCC[N@H+]1C1CC1 ZINC000629436254 450680705 /nfs/dbraw/zinc/68/07/05/450680705.db2.gz UVHKDTGMJHTSBT-QZTJIDSGSA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635139118 450684004 /nfs/dbraw/zinc/68/40/04/450684004.db2.gz RFPLLSORWRFESH-GVDBMIGSSA-N 2 2 340.427 1.530 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635139118 450684011 /nfs/dbraw/zinc/68/40/11/450684011.db2.gz RFPLLSORWRFESH-GVDBMIGSSA-N 2 2 340.427 1.530 20 0 EDADLP CCOc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000621353283 450695429 /nfs/dbraw/zinc/69/54/29/450695429.db2.gz QFIYFWMSNMSBMC-ALOPSCKCSA-N 2 2 346.475 1.654 20 0 EDADLP CCOc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000621353283 450695431 /nfs/dbraw/zinc/69/54/31/450695431.db2.gz QFIYFWMSNMSBMC-ALOPSCKCSA-N 2 2 346.475 1.654 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000633145400 450710083 /nfs/dbraw/zinc/71/00/83/450710083.db2.gz OPABJSNXYFICRU-UHFFFAOYSA-N 2 2 332.408 1.087 20 0 EDADLP CC(C)C[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000635174673 450718343 /nfs/dbraw/zinc/71/83/43/450718343.db2.gz OAHYMEBWFNAGON-IRXDYDNUSA-N 2 2 336.480 1.943 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631707525 450724863 /nfs/dbraw/zinc/72/48/63/450724863.db2.gz VTUNDOILENHQOR-SFHVURJKSA-N 2 2 344.459 1.888 20 0 EDADLP O[C@@H](C[NH2+]Cc1cccnc1OCC(F)(F)F)C[NH+]1CCCC1 ZINC000629554861 450733555 /nfs/dbraw/zinc/73/35/55/450733555.db2.gz ULBRKCWGIBDMKN-ZDUSSCGKSA-N 2 2 333.354 1.569 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCN1c1ccccc1Cl ZINC000629563648 450737829 /nfs/dbraw/zinc/73/78/29/450737829.db2.gz PXIQBJDGTYZZHO-HIFRSBDPSA-N 2 2 337.851 1.492 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCN1c1ccccc1F ZINC000629575310 450743939 /nfs/dbraw/zinc/74/39/39/450743939.db2.gz OJGVUKFPTGUNJF-HOCLYGCPSA-N 2 2 335.423 1.367 20 0 EDADLP C[N@H+](CCOCC[NH3+])Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000629578105 450746261 /nfs/dbraw/zinc/74/62/61/450746261.db2.gz MJGOPIPBSYFLKM-UHFFFAOYSA-N 2 2 348.472 1.480 20 0 EDADLP C[N@@H+](CCOCC[NH3+])Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000629578105 450746266 /nfs/dbraw/zinc/74/62/66/450746266.db2.gz MJGOPIPBSYFLKM-UHFFFAOYSA-N 2 2 348.472 1.480 20 0 EDADLP COc1ccccc1-c1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)on1 ZINC000629585600 450750076 /nfs/dbraw/zinc/75/00/76/450750076.db2.gz XYUYGRFDWORADR-CQSZACIVSA-N 2 2 331.416 1.897 20 0 EDADLP O=C1Nc2ccccc2C12CCC([NH2+]CC[N@H+]1CC[C@@H](O)C1)CC2 ZINC000624226923 450754717 /nfs/dbraw/zinc/75/47/17/450754717.db2.gz BCRMBZJJFYDMBT-XAUUPUKJSA-N 2 2 329.444 1.475 20 0 EDADLP O=C1Nc2ccccc2C12CCC([NH2+]CC[N@@H+]1CC[C@@H](O)C1)CC2 ZINC000624226923 450754723 /nfs/dbraw/zinc/75/47/23/450754723.db2.gz BCRMBZJJFYDMBT-XAUUPUKJSA-N 2 2 329.444 1.475 20 0 EDADLP COCCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000624227450 450756034 /nfs/dbraw/zinc/75/60/34/450756034.db2.gz QBBRKWZYQMFSDH-GOEBONIOSA-N 2 2 338.448 1.438 20 0 EDADLP COCCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000624227450 450756039 /nfs/dbraw/zinc/75/60/39/450756039.db2.gz QBBRKWZYQMFSDH-GOEBONIOSA-N 2 2 338.448 1.438 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000631765684 450759850 /nfs/dbraw/zinc/75/98/50/450759850.db2.gz NOJIEIWQRWARQN-UHFFFAOYSA-N 2 2 340.493 1.443 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc(Cl)c1OCC(N)=O ZINC000629659485 450773363 /nfs/dbraw/zinc/77/33/63/450773363.db2.gz AUWJCBXKXPCNJP-CMPLNLGQSA-N 2 2 341.839 1.443 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000621543120 450765126 /nfs/dbraw/zinc/76/51/26/450765126.db2.gz KBQAQUDWRYXYJN-IAGOWNOFSA-N 2 2 326.444 1.735 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631839438 450808501 /nfs/dbraw/zinc/80/85/01/450808501.db2.gz GKWXBFIZNWGKFY-FRFSOERESA-N 2 2 344.484 1.875 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631839438 450808507 /nfs/dbraw/zinc/80/85/07/450808507.db2.gz GKWXBFIZNWGKFY-FRFSOERESA-N 2 2 344.484 1.875 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3COCC[N@@H+]3C)ccc21 ZINC000626579670 450809872 /nfs/dbraw/zinc/80/98/72/450809872.db2.gz GCDIDJHOFSHQSN-RDJZCZTQSA-N 2 2 332.448 1.688 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3COCC[N@H+]3C)ccc21 ZINC000626579670 450809881 /nfs/dbraw/zinc/80/98/81/450809881.db2.gz GCDIDJHOFSHQSN-RDJZCZTQSA-N 2 2 332.448 1.688 20 0 EDADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccccc1C[NH+]1CCOCC1)C2 ZINC000621680556 450830665 /nfs/dbraw/zinc/83/06/65/450830665.db2.gz DIUXFMXRYSTCIM-QFBILLFUSA-N 2 2 329.444 1.472 20 0 EDADLP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864176 450832949 /nfs/dbraw/zinc/83/29/49/450832949.db2.gz LXMYRPMVVAKONJ-CVEARBPZSA-N 2 2 333.476 1.607 20 0 EDADLP C[NH+](C)CCc1ccc(-c2ccc(NCCOCCO)[nH+]c2)cc1 ZINC000629730955 450792939 /nfs/dbraw/zinc/79/29/39/450792939.db2.gz BRJSKNUUOZWYTA-UHFFFAOYSA-N 2 2 329.444 2.274 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)[N@H+]1CCO ZINC000633317793 450795866 /nfs/dbraw/zinc/79/58/66/450795866.db2.gz AFNUMIFYPXBLIH-IYBDPMFKSA-N 2 2 342.443 1.328 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000633317793 450795874 /nfs/dbraw/zinc/79/58/74/450795874.db2.gz AFNUMIFYPXBLIH-IYBDPMFKSA-N 2 2 342.443 1.328 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000624335722 450798881 /nfs/dbraw/zinc/79/88/81/450798881.db2.gz YVKCEFKSZNOCTM-CJNGLKHVSA-N 2 2 341.477 1.165 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000624335722 450798887 /nfs/dbraw/zinc/79/88/87/450798887.db2.gz YVKCEFKSZNOCTM-CJNGLKHVSA-N 2 2 341.477 1.165 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886933 450848700 /nfs/dbraw/zinc/84/87/00/450848700.db2.gz LABANAIUBFLHLZ-IEBWSBKVSA-N 2 2 345.487 1.988 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886933 450848706 /nfs/dbraw/zinc/84/87/06/450848706.db2.gz LABANAIUBFLHLZ-IEBWSBKVSA-N 2 2 345.487 1.988 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c2ccccc21 ZINC000621763270 450860913 /nfs/dbraw/zinc/86/09/13/450860913.db2.gz UUSKQOSDYKIVKV-WMZOPIPTSA-N 2 2 331.460 1.921 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)c2ccccc21 ZINC000621763270 450860918 /nfs/dbraw/zinc/86/09/18/450860918.db2.gz UUSKQOSDYKIVKV-WMZOPIPTSA-N 2 2 331.460 1.921 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ncccc3N)CC2)CC1 ZINC000633466515 450863571 /nfs/dbraw/zinc/86/35/71/450863571.db2.gz SFJMQPYQGWSBNE-UHFFFAOYSA-N 2 2 331.464 1.296 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ncccc3N)CC2)CC1 ZINC000633466515 450863573 /nfs/dbraw/zinc/86/35/73/450863573.db2.gz SFJMQPYQGWSBNE-UHFFFAOYSA-N 2 2 331.464 1.296 20 0 EDADLP CCc1c[nH]c(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)[nH+]1 ZINC000635361330 450881608 /nfs/dbraw/zinc/88/16/08/450881608.db2.gz UNPMJJXLWTYVLJ-UHFFFAOYSA-N 2 2 327.432 1.690 20 0 EDADLP CCO[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000627794682 450941499 /nfs/dbraw/zinc/94/14/99/450941499.db2.gz MJCZQXPRCIZURC-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP CCO[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000627794682 450941502 /nfs/dbraw/zinc/94/15/02/450941502.db2.gz MJCZQXPRCIZURC-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP COCCOCC[N@H+](C)CCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000635496460 450990898 /nfs/dbraw/zinc/99/08/98/450990898.db2.gz RZTMXGUAONJQPL-INIZCTEOSA-N 2 2 338.452 1.032 20 0 EDADLP COCCOCC[N@@H+](C)CCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000635496460 450990901 /nfs/dbraw/zinc/99/09/01/450990901.db2.gz RZTMXGUAONJQPL-INIZCTEOSA-N 2 2 338.452 1.032 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000626864565 450968624 /nfs/dbraw/zinc/96/86/24/450968624.db2.gz FAFXRJIUDSNIRD-QWHCGFSZSA-N 2 2 329.404 1.077 20 0 EDADLP CC(C)C[C@@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)n1cc[nH+]c1 ZINC000635470778 450969110 /nfs/dbraw/zinc/96/91/10/450969110.db2.gz CEXAWEMHRPNQHD-ZDUSSCGKSA-N 2 2 348.451 1.966 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000635480309 450979023 /nfs/dbraw/zinc/97/90/23/450979023.db2.gz RLWAZTMSNRAXAZ-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000635480309 450979028 /nfs/dbraw/zinc/97/90/28/450979028.db2.gz RLWAZTMSNRAXAZ-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP CCc1c[nH]c(CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC000635501847 450996547 /nfs/dbraw/zinc/99/65/47/450996547.db2.gz VLEXCARDUVYBJJ-UHFFFAOYSA-N 2 2 344.459 1.814 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000626921072 451004795 /nfs/dbraw/zinc/00/47/95/451004795.db2.gz PHLMIDBGEUNZEH-NXHRZFHOSA-N 2 2 346.475 1.327 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000626921072 451004801 /nfs/dbraw/zinc/00/48/01/451004801.db2.gz PHLMIDBGEUNZEH-NXHRZFHOSA-N 2 2 346.475 1.327 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N(C)CCOCC[NH3+] ZINC000626922957 451006207 /nfs/dbraw/zinc/00/62/07/451006207.db2.gz ITYIBRBLZYYRDT-UHFFFAOYSA-N 2 2 333.436 1.352 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000635549820 451044824 /nfs/dbraw/zinc/04/48/24/451044824.db2.gz QKCIBQFKRNWULL-RBUKOAKNSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000635549820 451044829 /nfs/dbraw/zinc/04/48/29/451044829.db2.gz QKCIBQFKRNWULL-RBUKOAKNSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000635498633 450994206 /nfs/dbraw/zinc/99/42/06/450994206.db2.gz XQGDXKHJWBIUJU-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000635498633 450994213 /nfs/dbraw/zinc/99/42/13/450994213.db2.gz XQGDXKHJWBIUJU-GOSISDBHSA-N 2 2 331.460 1.824 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1(F)F ZINC000633865126 451052942 /nfs/dbraw/zinc/05/29/42/451052942.db2.gz CXRSTTOSHVHQRY-KGLIPLIRSA-N 2 2 344.450 1.842 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1(F)F ZINC000633865126 451052947 /nfs/dbraw/zinc/05/29/47/451052947.db2.gz CXRSTTOSHVHQRY-KGLIPLIRSA-N 2 2 344.450 1.842 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ocnc3C(F)F)CC2)CC1 ZINC000624931248 451066449 /nfs/dbraw/zinc/06/64/49/451066449.db2.gz DYCLQOPYFNSQKF-UHFFFAOYSA-N 2 2 342.390 1.901 20 0 EDADLP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635629380 451118870 /nfs/dbraw/zinc/11/88/70/451118870.db2.gz DLVTWEZKYHEFKR-GPMSIDNRSA-N 2 2 340.427 1.266 20 0 EDADLP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635629380 451118875 /nfs/dbraw/zinc/11/88/75/451118875.db2.gz DLVTWEZKYHEFKR-GPMSIDNRSA-N 2 2 340.427 1.266 20 0 EDADLP O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635629380 451118880 /nfs/dbraw/zinc/11/88/80/451118880.db2.gz DLVTWEZKYHEFKR-GPMSIDNRSA-N 2 2 340.427 1.266 20 0 EDADLP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635629380 451118887 /nfs/dbraw/zinc/11/88/87/451118887.db2.gz DLVTWEZKYHEFKR-GPMSIDNRSA-N 2 2 340.427 1.266 20 0 EDADLP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1[nH+]ccn1C ZINC000627117764 451133965 /nfs/dbraw/zinc/13/39/65/451133965.db2.gz KAUUOSONSXQLGD-AXFHLTTASA-N 2 2 333.358 1.650 20 0 EDADLP C[NH+]1CCC(CCO)(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000622489976 451158825 /nfs/dbraw/zinc/15/88/25/451158825.db2.gz CCLDRJZQRFQNCI-UHFFFAOYSA-N 2 2 342.443 1.508 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000635762660 451225790 /nfs/dbraw/zinc/22/57/90/451225790.db2.gz OQNVBPFHEDBRBH-RLFYNMQTSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000635762660 451225794 /nfs/dbraw/zinc/22/57/94/451225794.db2.gz OQNVBPFHEDBRBH-RLFYNMQTSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000635762660 451225798 /nfs/dbraw/zinc/22/57/98/451225798.db2.gz OQNVBPFHEDBRBH-RLFYNMQTSA-N 2 2 331.460 1.821 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000635762660 451225800 /nfs/dbraw/zinc/22/58/00/451225800.db2.gz OQNVBPFHEDBRBH-RLFYNMQTSA-N 2 2 331.460 1.821 20 0 EDADLP CN([C@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632364955 451226661 /nfs/dbraw/zinc/22/66/61/451226661.db2.gz KCAOXDAUIRMHSI-HNNXBMFYSA-N 2 2 348.472 1.855 20 0 EDADLP Cc1cc(=O)[nH]c(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC000634193955 451229279 /nfs/dbraw/zinc/22/92/79/451229279.db2.gz NYPOWGSHRJFLCO-UHFFFAOYSA-N 2 2 327.388 1.495 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COc3ccccc3O)c2)CC1 ZINC000634197469 451234387 /nfs/dbraw/zinc/23/43/87/451234387.db2.gz IGLMZKCMAJOYNS-UHFFFAOYSA-N 2 2 342.399 1.557 20 0 EDADLP C[NH+](C)CC1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000632382542 451239787 /nfs/dbraw/zinc/23/97/87/451239787.db2.gz VXXQTVNKTYJVNM-UHFFFAOYSA-N 2 2 334.445 1.114 20 0 EDADLP CC(C)C1(C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000638099267 451264524 /nfs/dbraw/zinc/26/45/24/451264524.db2.gz GKNBXRGHVFXNKU-UHFFFAOYSA-N 2 2 345.491 1.871 20 0 EDADLP Cc1nccc(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000634195142 451231989 /nfs/dbraw/zinc/23/19/89/451231989.db2.gz ZLYLNQYHLTWJHN-UHFFFAOYSA-N 2 2 340.431 1.503 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC34CCOCC4)c2)CC1 ZINC000634195867 451232120 /nfs/dbraw/zinc/23/21/20/451232120.db2.gz IBLNHRNQPIEOLH-HNNXBMFYSA-N 2 2 330.432 1.589 20 0 EDADLP CNC(=O)CCC[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638125512 451295417 /nfs/dbraw/zinc/29/54/17/451295417.db2.gz KGJDBMNSHXUVNI-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP CNC(=O)CCC[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638125512 451295419 /nfs/dbraw/zinc/29/54/19/451295419.db2.gz KGJDBMNSHXUVNI-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636556065 451298889 /nfs/dbraw/zinc/29/88/89/451298889.db2.gz MFMFOCJYXHTOEV-KRWDZBQOSA-N 2 2 339.443 1.555 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C[C@H]21 ZINC000638164406 451331376 /nfs/dbraw/zinc/33/13/76/451331376.db2.gz HRLHCYWFSOCLAJ-LPWJVIDDSA-N 2 2 330.354 1.962 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)C[C@H]21 ZINC000638164925 451331387 /nfs/dbraw/zinc/33/13/87/451331387.db2.gz JXNMBULVILVOJA-APHBMKBZSA-N 2 2 326.400 1.777 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636548198 451288584 /nfs/dbraw/zinc/28/85/84/451288584.db2.gz DRCXJNDIYODCDL-GASCZTMLSA-N 2 2 349.479 1.242 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636548198 451288591 /nfs/dbraw/zinc/28/85/91/451288591.db2.gz DRCXJNDIYODCDL-GASCZTMLSA-N 2 2 349.479 1.242 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1)CC(C)(C)C ZINC000635913762 451359053 /nfs/dbraw/zinc/35/90/53/451359053.db2.gz CRPGBCKKQMOQOK-CQSZACIVSA-N 2 2 337.468 1.376 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1)CC(C)(C)C ZINC000635913762 451359061 /nfs/dbraw/zinc/35/90/61/451359061.db2.gz CRPGBCKKQMOQOK-CQSZACIVSA-N 2 2 337.468 1.376 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)CC(C)(C)C ZINC000635913762 451359067 /nfs/dbraw/zinc/35/90/67/451359067.db2.gz CRPGBCKKQMOQOK-CQSZACIVSA-N 2 2 337.468 1.376 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)CC(C)(C)C ZINC000635913762 451359072 /nfs/dbraw/zinc/35/90/72/451359072.db2.gz CRPGBCKKQMOQOK-CQSZACIVSA-N 2 2 337.468 1.376 20 0 EDADLP [NH3+]Cc1ncc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cn1 ZINC000638216358 451361060 /nfs/dbraw/zinc/36/10/60/451361060.db2.gz CRVNPNAYHWBDOG-AWEZNQCLSA-N 2 2 331.807 1.375 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[C@H]([NH+]3CCOCC3)C1(C)C)CC2 ZINC000640510883 451361877 /nfs/dbraw/zinc/36/18/77/451361877.db2.gz RBIURIHZMUGOPI-OAGGEKHMSA-N 2 2 346.475 1.369 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([N@H+]4CCOC[C@H]4C)CC3)cc2[nH+]1 ZINC000635948866 451389932 /nfs/dbraw/zinc/38/99/32/451389932.db2.gz TWOZRPGNTSUXHE-OAHLLOKOSA-N 2 2 342.443 1.968 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC([N@@H+]4CCOC[C@H]4C)CC3)cc2[nH+]1 ZINC000635948866 451389936 /nfs/dbraw/zinc/38/99/36/451389936.db2.gz TWOZRPGNTSUXHE-OAHLLOKOSA-N 2 2 342.443 1.968 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000638273744 451393066 /nfs/dbraw/zinc/39/30/66/451393066.db2.gz JWUUANLBWSYNKA-AEFFLSMTSA-N 2 2 335.423 1.237 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000636662125 451394184 /nfs/dbraw/zinc/39/41/84/451394184.db2.gz MBZFVYXWSZORHE-DOTOQJQBSA-N 2 2 327.432 1.718 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000638285161 451401949 /nfs/dbraw/zinc/40/19/49/451401949.db2.gz GBPUXXBZDWYNMV-KRWDZBQOSA-N 2 2 341.415 1.142 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638288028 451405051 /nfs/dbraw/zinc/40/50/51/451405051.db2.gz YVHOGVHVJSLKFA-BPQIPLTHSA-N 2 2 332.492 1.244 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638288028 451405056 /nfs/dbraw/zinc/40/50/56/451405056.db2.gz YVHOGVHVJSLKFA-BPQIPLTHSA-N 2 2 332.492 1.244 20 0 EDADLP O[C@]1(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634645229 451439694 /nfs/dbraw/zinc/43/96/94/451439694.db2.gz JUQCIXPBOKLGEN-HSALFYBXSA-N 2 2 346.471 1.503 20 0 EDADLP O[C@]1(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634645229 451439697 /nfs/dbraw/zinc/43/96/97/451439697.db2.gz JUQCIXPBOKLGEN-HSALFYBXSA-N 2 2 346.471 1.503 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@H]([C@H]3CCCO3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634645229 451439700 /nfs/dbraw/zinc/43/97/00/451439700.db2.gz JUQCIXPBOKLGEN-HSALFYBXSA-N 2 2 346.471 1.503 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@H]([C@H]3CCCO3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634645229 451439703 /nfs/dbraw/zinc/43/97/03/451439703.db2.gz JUQCIXPBOKLGEN-HSALFYBXSA-N 2 2 346.471 1.503 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000638298971 451414337 /nfs/dbraw/zinc/41/43/37/451414337.db2.gz WBEIKOVBAZMEFJ-HOCLYGCPSA-N 2 2 345.834 1.764 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000638298971 451414342 /nfs/dbraw/zinc/41/43/42/451414342.db2.gz WBEIKOVBAZMEFJ-HOCLYGCPSA-N 2 2 345.834 1.764 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C[NH+](C)C)ccn2)[C@@H](C)CO1 ZINC000640576513 451420388 /nfs/dbraw/zinc/42/03/88/451420388.db2.gz WEAYLYPPLAYKAN-UONOGXRCSA-N 2 2 335.452 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C[NH+](C)C)ccn2)[C@@H](C)CO1 ZINC000640576513 451420394 /nfs/dbraw/zinc/42/03/94/451420394.db2.gz WEAYLYPPLAYKAN-UONOGXRCSA-N 2 2 335.452 1.374 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+](C)CCc2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000635993348 451423632 /nfs/dbraw/zinc/42/36/32/451423632.db2.gz QJSLIJNXWHLWRD-CALCHBBNSA-N 2 2 333.476 1.074 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+](C)CCc2ccccc2)C[C@H](C)[N@@H+]1CCO ZINC000635993348 451423636 /nfs/dbraw/zinc/42/36/36/451423636.db2.gz QJSLIJNXWHLWRD-CALCHBBNSA-N 2 2 333.476 1.074 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)C[C@H](C)[NH+]1CCO ZINC000635993348 451423639 /nfs/dbraw/zinc/42/36/39/451423639.db2.gz QJSLIJNXWHLWRD-CALCHBBNSA-N 2 2 333.476 1.074 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H](C)[NH+]1CCO ZINC000635993348 451423642 /nfs/dbraw/zinc/42/36/42/451423642.db2.gz QJSLIJNXWHLWRD-CALCHBBNSA-N 2 2 333.476 1.074 20 0 EDADLP Cc1cc(NCCNC(=O)CCc2c[nH+]cn2C)nc(C(C)C)[nH+]1 ZINC000628825644 451433577 /nfs/dbraw/zinc/43/35/77/451433577.db2.gz JPHASUIAOOIRQK-UHFFFAOYSA-N 2 2 330.436 1.803 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@@]3(C)C[NH2+]CCO3)ccc2n1C1CC1 ZINC000638326527 451434394 /nfs/dbraw/zinc/43/43/94/451434394.db2.gz ZSDUMCHABIYUFK-LJQANCHMSA-N 2 2 342.443 1.928 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CCCN1 ZINC000638439931 451517611 /nfs/dbraw/zinc/51/76/11/451517611.db2.gz GIAFHACLVMWFBY-QGZVFWFLSA-N 2 2 347.459 1.156 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000636799172 451518768 /nfs/dbraw/zinc/51/87/68/451518768.db2.gz MDGVMNUPMKTEQL-SFHVURJKSA-N 2 2 333.476 1.606 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000636799172 451518773 /nfs/dbraw/zinc/51/87/73/451518773.db2.gz MDGVMNUPMKTEQL-SFHVURJKSA-N 2 2 333.476 1.606 20 0 EDADLP CN1CCCC[C@@H]([N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000634745337 451521694 /nfs/dbraw/zinc/52/16/94/451521694.db2.gz DGAGDBDIPWRHMY-UYAOXDASSA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@@H]([N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000634745337 451521700 /nfs/dbraw/zinc/52/17/00/451521700.db2.gz DGAGDBDIPWRHMY-UYAOXDASSA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@@H]([NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000634745337 451521705 /nfs/dbraw/zinc/52/17/05/451521705.db2.gz DGAGDBDIPWRHMY-UYAOXDASSA-N 2 2 345.487 1.566 20 0 EDADLP CN1CCCC[C@@H]([NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000634745337 451521710 /nfs/dbraw/zinc/52/17/10/451521710.db2.gz DGAGDBDIPWRHMY-UYAOXDASSA-N 2 2 345.487 1.566 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)n1cc[nH+]c1 ZINC000636228239 451605436 /nfs/dbraw/zinc/60/54/36/451605436.db2.gz DXVCSNFXJZUQPZ-IRXDYDNUSA-N 2 2 334.464 1.528 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)n1cc[nH+]c1 ZINC000636228239 451605441 /nfs/dbraw/zinc/60/54/41/451605441.db2.gz DXVCSNFXJZUQPZ-IRXDYDNUSA-N 2 2 334.464 1.528 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638566145 451579855 /nfs/dbraw/zinc/57/98/55/451579855.db2.gz BQOODPKFEQOBOK-LBPRGKRZSA-N 2 2 331.507 1.606 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638566145 451579857 /nfs/dbraw/zinc/57/98/57/451579857.db2.gz BQOODPKFEQOBOK-LBPRGKRZSA-N 2 2 331.507 1.606 20 0 EDADLP c1c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631179892 451627849 /nfs/dbraw/zinc/62/78/49/451627849.db2.gz XWPBSSIZPRKKSW-IAGOWNOFSA-N 2 2 333.480 1.526 20 0 EDADLP c1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nnn1C[C@H]1CCOC1 ZINC000631179892 451627856 /nfs/dbraw/zinc/62/78/56/451627856.db2.gz XWPBSSIZPRKKSW-IAGOWNOFSA-N 2 2 333.480 1.526 20 0 EDADLP CCc1[nH+]ccn1Cc1cn(Cc2[nH+]ccc(OC)c2OC)nn1 ZINC000640941972 451698968 /nfs/dbraw/zinc/69/89/68/451698968.db2.gz KKVZKHLJEMRECI-UHFFFAOYSA-N 2 2 328.376 1.546 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)[C@H](C)[NH3+] ZINC000638731958 451669875 /nfs/dbraw/zinc/66/98/75/451669875.db2.gz SJYNKBUUEMCSNT-UAGQMJEPSA-N 2 2 334.464 1.018 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@H](C)[NH3+] ZINC000638731958 451669876 /nfs/dbraw/zinc/66/98/76/451669876.db2.gz SJYNKBUUEMCSNT-UAGQMJEPSA-N 2 2 334.464 1.018 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004354 451750952 /nfs/dbraw/zinc/75/09/52/451750952.db2.gz NWVMRGPXJYIXFY-JQHSSLGASA-N 2 2 343.475 1.084 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000639049365 451757516 /nfs/dbraw/zinc/75/75/16/451757516.db2.gz OXEDVDZGUDHZQS-CQSZACIVSA-N 2 2 332.370 1.394 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000639049365 451757517 /nfs/dbraw/zinc/75/75/17/451757517.db2.gz OXEDVDZGUDHZQS-CQSZACIVSA-N 2 2 332.370 1.394 20 0 EDADLP C[C@@]1(C[NH2+]Cc2cnc(N)nc2N)CCC[N@@H+]1Cc1ccccc1 ZINC000639071608 451761457 /nfs/dbraw/zinc/76/14/57/451761457.db2.gz NDQYXMJPCQYXST-SFHVURJKSA-N 2 2 326.448 1.446 20 0 EDADLP C[C@@]1(C[NH2+]Cc2cnc(N)nc2N)CCC[N@H+]1Cc1ccccc1 ZINC000639071608 451761459 /nfs/dbraw/zinc/76/14/59/451761459.db2.gz NDQYXMJPCQYXST-SFHVURJKSA-N 2 2 326.448 1.446 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000639125395 451772796 /nfs/dbraw/zinc/77/27/96/451772796.db2.gz UBXSSGFPCYKTMH-UHFFFAOYSA-N 2 2 329.491 1.502 20 0 EDADLP CC[NH2+]Cc1cn(C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641214368 451783528 /nfs/dbraw/zinc/78/35/28/451783528.db2.gz UBLCZLHWGXNYQK-HNNXBMFYSA-N 2 2 328.420 1.415 20 0 EDADLP OCCCCOc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000639331750 451830829 /nfs/dbraw/zinc/83/08/29/451830829.db2.gz YTWINPCGZIEKTI-IBGZPJMESA-N 2 2 348.487 1.869 20 0 EDADLP OCCCCOc1ccccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000639331750 451830833 /nfs/dbraw/zinc/83/08/33/451830833.db2.gz YTWINPCGZIEKTI-IBGZPJMESA-N 2 2 348.487 1.869 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(=O)Nc1ccccc1 ZINC000644525618 451841522 /nfs/dbraw/zinc/84/15/22/451841522.db2.gz KMITWQGHMHSMLY-SFHVURJKSA-N 2 2 327.428 1.708 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(=O)Nc1ccccc1 ZINC000644525618 451841523 /nfs/dbraw/zinc/84/15/23/451841523.db2.gz KMITWQGHMHSMLY-SFHVURJKSA-N 2 2 327.428 1.708 20 0 EDADLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)Cn2cccn2)[NH+]2CCCC2)cc1 ZINC000644532404 451846136 /nfs/dbraw/zinc/84/61/36/451846136.db2.gz FVKVXOAWSTVWBR-RBUKOAKNSA-N 2 2 328.460 1.979 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)CC[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000651477535 451851574 /nfs/dbraw/zinc/85/15/74/451851574.db2.gz BUKLPINADOHEFZ-HOTGVXAUSA-N 2 2 333.480 1.606 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000641329145 451852110 /nfs/dbraw/zinc/85/21/10/451852110.db2.gz NTNKWUHANZBHCF-UHFFFAOYSA-N 2 2 349.500 1.533 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000641329145 451852115 /nfs/dbraw/zinc/85/21/15/451852115.db2.gz NTNKWUHANZBHCF-UHFFFAOYSA-N 2 2 349.500 1.533 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000637440809 451856913 /nfs/dbraw/zinc/85/69/13/451856913.db2.gz UACFMOXOJCIIMF-HKUYNNGSSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000637440809 451856916 /nfs/dbraw/zinc/85/69/16/451856916.db2.gz UACFMOXOJCIIMF-HKUYNNGSSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000637440809 451856921 /nfs/dbraw/zinc/85/69/21/451856921.db2.gz UACFMOXOJCIIMF-HKUYNNGSSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000637440809 451856927 /nfs/dbraw/zinc/85/69/27/451856927.db2.gz UACFMOXOJCIIMF-HKUYNNGSSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000644556829 451858431 /nfs/dbraw/zinc/85/84/31/451858431.db2.gz CZUFVOHNSLHULH-VVLHAWIVSA-N 2 2 334.460 1.612 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000644556829 451858436 /nfs/dbraw/zinc/85/84/36/451858436.db2.gz CZUFVOHNSLHULH-VVLHAWIVSA-N 2 2 334.460 1.612 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NCC(C)(C)[NH+]3CCOCC3)c2)CC1 ZINC000639382456 451859064 /nfs/dbraw/zinc/85/90/64/451859064.db2.gz QGDBYGXLYCNMPR-UHFFFAOYSA-N 3 2 333.480 1.356 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)no1 ZINC000644560724 451860727 /nfs/dbraw/zinc/86/07/27/451860727.db2.gz FSWCBCSATIUTJV-CQSZACIVSA-N 2 2 330.432 2.422 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)no1 ZINC000644560724 451860733 /nfs/dbraw/zinc/86/07/33/451860733.db2.gz FSWCBCSATIUTJV-CQSZACIVSA-N 2 2 330.432 2.422 20 0 EDADLP Cc1cccn2cc(CC[NH2+]C[C@H](O)COC3CCOCC3)[nH+]c12 ZINC000644581838 451876422 /nfs/dbraw/zinc/87/64/22/451876422.db2.gz UAXVNLXJIXXXRG-INIZCTEOSA-N 2 2 333.432 1.331 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000641354033 451882078 /nfs/dbraw/zinc/88/20/78/451882078.db2.gz CDMMWRCZYGHEBY-MRXNPFEDSA-N 2 2 347.484 1.309 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C1 ZINC000641354033 451882087 /nfs/dbraw/zinc/88/20/87/451882087.db2.gz CDMMWRCZYGHEBY-MRXNPFEDSA-N 2 2 347.484 1.309 20 0 EDADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639472490 451885309 /nfs/dbraw/zinc/88/53/09/451885309.db2.gz KIFLMUZOOYCQPB-AZUAARDMSA-N 2 2 345.487 1.614 20 0 EDADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639472490 451885314 /nfs/dbraw/zinc/88/53/14/451885314.db2.gz KIFLMUZOOYCQPB-AZUAARDMSA-N 2 2 345.487 1.614 20 0 EDADLP CCC(=O)N[C@H]1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639472490 451885318 /nfs/dbraw/zinc/88/53/18/451885318.db2.gz KIFLMUZOOYCQPB-AZUAARDMSA-N 2 2 345.487 1.614 20 0 EDADLP CCC(=O)N[C@H]1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639472490 451885320 /nfs/dbraw/zinc/88/53/20/451885320.db2.gz KIFLMUZOOYCQPB-AZUAARDMSA-N 2 2 345.487 1.614 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2(C(F)F)CCCC2)CC1 ZINC000642715802 451932976 /nfs/dbraw/zinc/93/29/76/451932976.db2.gz JEEQVPFYUZLSTI-UHFFFAOYSA-N 2 2 332.439 1.890 20 0 EDADLP CC(C)(CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000649277779 451948001 /nfs/dbraw/zinc/94/80/01/451948001.db2.gz QZRMBXGGRPXJKZ-AWEZNQCLSA-N 2 2 325.840 1.567 20 0 EDADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)ncn1 ZINC000649287350 451960401 /nfs/dbraw/zinc/96/04/01/451960401.db2.gz VQCLXYDBCPFEPQ-GFCCVEGCSA-N 2 2 341.375 1.569 20 0 EDADLP COc1cc(-c2noc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)ncn1 ZINC000649287350 451960407 /nfs/dbraw/zinc/96/04/07/451960407.db2.gz VQCLXYDBCPFEPQ-GFCCVEGCSA-N 2 2 341.375 1.569 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@H]2C[NH2+]CCOC2)c1)[NH+]1CCOCC1 ZINC000649323190 452003746 /nfs/dbraw/zinc/00/37/46/452003746.db2.gz LCRMZOLGWWWZJU-ZBFHGGJFSA-N 2 2 333.432 1.254 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH3+])[C@H](C)C1 ZINC000641468711 452004041 /nfs/dbraw/zinc/00/40/41/452004041.db2.gz CVLXIYKVBQOAJM-HUUCEWRRSA-N 2 2 334.464 1.648 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@@H](C)[NH3+])[C@H](C)C1 ZINC000641468711 452004050 /nfs/dbraw/zinc/00/40/50/452004050.db2.gz CVLXIYKVBQOAJM-HUUCEWRRSA-N 2 2 334.464 1.648 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653543769 452005812 /nfs/dbraw/zinc/00/58/12/452005812.db2.gz YWNIBYJQNSWZJB-UHFFFAOYSA-N 2 2 342.443 1.610 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1c(F)cccc1F ZINC000649336495 452016981 /nfs/dbraw/zinc/01/69/81/452016981.db2.gz YKIDQEZJNLLDDA-GWCFXTLKSA-N 2 2 347.356 1.929 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Cl)c1 ZINC000649339586 452019228 /nfs/dbraw/zinc/01/92/28/452019228.db2.gz MVAJKMDWPIKXOJ-MRXNPFEDSA-N 2 2 337.851 1.663 20 0 EDADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682361 452021349 /nfs/dbraw/zinc/02/13/49/452021349.db2.gz UWYOSWUUXZXJOQ-GFCCVEGCSA-N 2 2 330.354 1.661 20 0 EDADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682361 452021354 /nfs/dbraw/zinc/02/13/54/452021354.db2.gz UWYOSWUUXZXJOQ-GFCCVEGCSA-N 2 2 330.354 1.661 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4nc[nH]c4cc3F)C2)CC1 ZINC000644860167 452033657 /nfs/dbraw/zinc/03/36/57/452033657.db2.gz QFYAWDGJPHZRID-GFCCVEGCSA-N 2 2 345.422 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4nc[nH]c4cc3F)C2)CC1 ZINC000644860167 452033658 /nfs/dbraw/zinc/03/36/58/452033658.db2.gz QFYAWDGJPHZRID-GFCCVEGCSA-N 2 2 345.422 1.600 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc4c3CC[NH+](C)C4)C2)C1 ZINC000641509042 452041056 /nfs/dbraw/zinc/04/10/56/452041056.db2.gz QXAXQNSRVLMIEB-GOSISDBHSA-N 2 2 349.500 1.391 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc4c3CC[NH+](C)C4)C2)C1 ZINC000641509042 452041061 /nfs/dbraw/zinc/04/10/61/452041061.db2.gz QXAXQNSRVLMIEB-GOSISDBHSA-N 2 2 349.500 1.391 20 0 EDADLP C[NH+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc4c3CC[N@H+](C)C4)C2)C1 ZINC000641509042 452041064 /nfs/dbraw/zinc/04/10/64/452041064.db2.gz QXAXQNSRVLMIEB-GOSISDBHSA-N 2 2 349.500 1.391 20 0 EDADLP C[NH+]1CC[C@@]2(CCN(S(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)C2)C1 ZINC000641509042 452041068 /nfs/dbraw/zinc/04/10/68/452041068.db2.gz QXAXQNSRVLMIEB-GOSISDBHSA-N 2 2 349.500 1.391 20 0 EDADLP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393452 452062384 /nfs/dbraw/zinc/06/23/84/452062384.db2.gz PYOWTQJXXCWYNT-LZQZEXGQSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393452 452062390 /nfs/dbraw/zinc/06/23/90/452062390.db2.gz PYOWTQJXXCWYNT-LZQZEXGQSA-N 2 2 345.487 1.565 20 0 EDADLP O=C(CN1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649419451 452082256 /nfs/dbraw/zinc/08/22/56/452082256.db2.gz PUKHXXVMNPQRMI-IRXDYDNUSA-N 2 2 348.516 1.076 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647156871 452096806 /nfs/dbraw/zinc/09/68/06/452096806.db2.gz SOIJGWFJCYNKLQ-JKSUJKDBSA-N 2 2 338.415 1.981 20 0 EDADLP c1ncn([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000643252241 452097371 /nfs/dbraw/zinc/09/73/71/452097371.db2.gz YWJKJOJJWCRLKK-SFHVURJKSA-N 2 2 327.432 1.557 20 0 EDADLP c1ncn([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000643252241 452097376 /nfs/dbraw/zinc/09/73/76/452097376.db2.gz YWJKJOJJWCRLKK-SFHVURJKSA-N 2 2 327.432 1.557 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000639761821 452100601 /nfs/dbraw/zinc/10/06/01/452100601.db2.gz FEFCDDBKSNLBNO-LLVKDONJSA-N 2 2 334.329 1.589 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000639761821 452100594 /nfs/dbraw/zinc/10/05/94/452100594.db2.gz FEFCDDBKSNLBNO-LLVKDONJSA-N 2 2 334.329 1.589 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766824 452108750 /nfs/dbraw/zinc/10/87/50/452108750.db2.gz RGXJIMVECIASSX-DFGXFYAUSA-N 2 2 325.497 1.268 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766824 452108758 /nfs/dbraw/zinc/10/87/58/452108758.db2.gz RGXJIMVECIASSX-DFGXFYAUSA-N 2 2 325.497 1.268 20 0 EDADLP Nc1nc(N2CCC[N@H+](Cc3cscn3)CC2)c2c([nH+]1)CCCC2 ZINC000645153834 452180403 /nfs/dbraw/zinc/18/04/03/452180403.db2.gz CVMFKLNUTZQCLD-UHFFFAOYSA-N 2 2 344.488 2.106 20 0 EDADLP Nc1nc(N2CCC[N@@H+](Cc3cscn3)CC2)c2c([nH+]1)CCCC2 ZINC000645153834 452180409 /nfs/dbraw/zinc/18/04/09/452180409.db2.gz CVMFKLNUTZQCLD-UHFFFAOYSA-N 2 2 344.488 2.106 20 0 EDADLP CC[C@H](OCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1 ZINC000649685286 452197546 /nfs/dbraw/zinc/19/75/46/452197546.db2.gz VYFMDPLMZMMEIS-SFHVURJKSA-N 2 2 333.476 1.860 20 0 EDADLP CC[C@H](OCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)c1ccccc1 ZINC000649685286 452197553 /nfs/dbraw/zinc/19/75/53/452197553.db2.gz VYFMDPLMZMMEIS-SFHVURJKSA-N 2 2 333.476 1.860 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3CCC(F)CC3)C2)CC1 ZINC000645233355 452227140 /nfs/dbraw/zinc/22/71/40/452227140.db2.gz CSJAFYVYGBLVFS-GPANFISMSA-N 2 2 340.487 1.982 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3CCC(F)CC3)C2)CC1 ZINC000645233355 452227146 /nfs/dbraw/zinc/22/71/46/452227146.db2.gz CSJAFYVYGBLVFS-GPANFISMSA-N 2 2 340.487 1.982 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000641771883 452244910 /nfs/dbraw/zinc/24/49/10/452244910.db2.gz LWHCHMCHSPNODP-GOSISDBHSA-N 2 2 335.492 1.706 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000641784342 452253364 /nfs/dbraw/zinc/25/33/64/452253364.db2.gz BZDCAHZQBAFLQA-ZWKOTPCHSA-N 2 2 337.508 1.474 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1nccn1C ZINC000641784744 452254859 /nfs/dbraw/zinc/25/48/59/452254859.db2.gz FFWQTWXYQCKHEQ-IAGOWNOFSA-N 2 2 335.496 1.257 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638018548 452263157 /nfs/dbraw/zinc/26/31/57/452263157.db2.gz QTFWZAWKCVFUJV-ZDUSSCGKSA-N 2 2 338.408 1.507 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638018548 452263166 /nfs/dbraw/zinc/26/31/66/452263166.db2.gz QTFWZAWKCVFUJV-ZDUSSCGKSA-N 2 2 338.408 1.507 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)Nc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000665701511 452263184 /nfs/dbraw/zinc/26/31/84/452263184.db2.gz DJUWWHZNWKNSBJ-BZUAXINKSA-N 2 2 333.480 1.970 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000647530127 452265455 /nfs/dbraw/zinc/26/54/55/452265455.db2.gz QMXMSGZFNXWGCK-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000647530127 452265460 /nfs/dbraw/zinc/26/54/60/452265460.db2.gz QMXMSGZFNXWGCK-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000641789647 452265927 /nfs/dbraw/zinc/26/59/27/452265927.db2.gz OUDDDAGAXFJHQJ-GOSISDBHSA-N 2 2 333.476 1.581 20 0 EDADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)ccc1S(C)(=O)=O ZINC000643501863 452268856 /nfs/dbraw/zinc/26/88/56/452268856.db2.gz RGJSHLVHAAVETB-GXTWGEPZSA-N 2 2 326.462 1.891 20 0 EDADLP COc1ccc(C[C@](C)(O)C[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC ZINC000657471066 452269529 /nfs/dbraw/zinc/26/95/29/452269529.db2.gz ZZCZFKDKPYCNML-IBGZPJMESA-N 2 2 345.443 1.930 20 0 EDADLP CCN1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000641853634 452325905 /nfs/dbraw/zinc/32/59/05/452325905.db2.gz LGLBWZHLQDZRGT-BZUAXINKSA-N 2 2 348.495 1.563 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000652147659 452340216 /nfs/dbraw/zinc/34/02/16/452340216.db2.gz ZYCTUPJTHVMEGV-HUUCEWRRSA-N 2 2 334.464 1.314 20 0 EDADLP CO[C@@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@](C)(CO)C1 ZINC000640007358 452344449 /nfs/dbraw/zinc/34/44/49/452344449.db2.gz DKOGZSLMRXCCJT-JTDSTZFVSA-N 2 2 347.459 1.486 20 0 EDADLP CO[C@@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@](C)(CO)C1 ZINC000640007358 452344458 /nfs/dbraw/zinc/34/44/58/452344458.db2.gz DKOGZSLMRXCCJT-JTDSTZFVSA-N 2 2 347.459 1.486 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NCC12CC(C1)C[NH2+]2 ZINC000659486637 452348705 /nfs/dbraw/zinc/34/87/05/452348705.db2.gz WUEQSDTVPGJCQN-UHFFFAOYSA-N 2 2 348.878 1.749 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NCC12CC(C1)C[NH2+]2 ZINC000659486637 452348722 /nfs/dbraw/zinc/34/87/22/452348722.db2.gz WUEQSDTVPGJCQN-UHFFFAOYSA-N 2 2 348.878 1.749 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)c1oc(C[NH3+])cc1C)[NH+]1CCOCC1 ZINC000638060822 452351699 /nfs/dbraw/zinc/35/16/99/452351699.db2.gz RVUUIUDKCJLESB-MRXNPFEDSA-N 2 2 337.464 1.914 20 0 EDADLP [NH3+]C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCCOC1 ZINC000638061400 452355522 /nfs/dbraw/zinc/35/55/22/452355522.db2.gz FPROCGBBVJQOID-SFHVURJKSA-N 2 2 332.448 1.444 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)CCC2C[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000638063898 452361899 /nfs/dbraw/zinc/36/18/99/452361899.db2.gz JPUMGTLJGLSBNW-GOSISDBHSA-N 2 2 331.460 1.484 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647629698 452365365 /nfs/dbraw/zinc/36/53/65/452365365.db2.gz WQCWPIICHDYKBJ-GDBMZVCRSA-N 2 2 329.379 1.526 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2)CC1 ZINC000645393369 452366959 /nfs/dbraw/zinc/36/69/59/452366959.db2.gz SXJBWJHXMCFXPR-FZNQNYSPSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1CCC[C@@]1(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655551901 452368598 /nfs/dbraw/zinc/36/85/98/452368598.db2.gz JZGYMFWPTNRCCF-IIDMSEBBSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@@H]1CCC[C@@]1(O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655551901 452368605 /nfs/dbraw/zinc/36/86/05/452368605.db2.gz JZGYMFWPTNRCCF-IIDMSEBBSA-N 2 2 338.496 1.005 20 0 EDADLP COc1ccc(N2C[C@@H]([NH2+]Cc3c[nH+]c4n3CCC4)CC2=O)cc1 ZINC000657604636 452381036 /nfs/dbraw/zinc/38/10/36/452381036.db2.gz XFVQRQATUNMZAN-ZDUSSCGKSA-N 2 2 326.400 1.733 20 0 EDADLP Cc1ccc(-c2cc(C[N@H+](C)CC(=O)N3CC[NH+](C)CC3)on2)cc1 ZINC000640050053 452391262 /nfs/dbraw/zinc/39/12/62/452391262.db2.gz VRSVSYONKCFXBQ-UHFFFAOYSA-N 2 2 342.443 1.856 20 0 EDADLP Cc1ccc(-c2cc(C[N@@H+](C)CC(=O)N3CC[NH+](C)CC3)on2)cc1 ZINC000640050053 452391268 /nfs/dbraw/zinc/39/12/68/452391268.db2.gz VRSVSYONKCFXBQ-UHFFFAOYSA-N 2 2 342.443 1.856 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661619606 452440814 /nfs/dbraw/zinc/44/08/14/452440814.db2.gz ASWJYBKNBCPYFI-UIBIWLFHSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661619606 452440821 /nfs/dbraw/zinc/44/08/21/452440821.db2.gz ASWJYBKNBCPYFI-UIBIWLFHSA-N 2 2 346.475 1.067 20 0 EDADLP CCC[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000652335900 452506554 /nfs/dbraw/zinc/50/65/54/452506554.db2.gz PMHVEPXZSZWIAH-INIZCTEOSA-N 2 2 337.489 1.701 20 0 EDADLP CCC[N@@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000652335900 452506564 /nfs/dbraw/zinc/50/65/64/452506564.db2.gz PMHVEPXZSZWIAH-INIZCTEOSA-N 2 2 337.489 1.701 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)CC2)c1 ZINC000661713321 452517108 /nfs/dbraw/zinc/51/71/08/452517108.db2.gz JRDBSPIUXZNDDQ-AZUAARDMSA-N 2 2 343.471 1.096 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@]4(O)C[C@H]4C3)CC2)c1 ZINC000661713321 452517120 /nfs/dbraw/zinc/51/71/20/452517120.db2.gz JRDBSPIUXZNDDQ-AZUAARDMSA-N 2 2 343.471 1.096 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000655698811 452519821 /nfs/dbraw/zinc/51/98/21/452519821.db2.gz WMNJBIFNNRJHHJ-SCTDSRPQSA-N 3 2 339.524 1.719 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000655698811 452519829 /nfs/dbraw/zinc/51/98/29/452519829.db2.gz WMNJBIFNNRJHHJ-SCTDSRPQSA-N 3 2 339.524 1.719 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652354415 452532590 /nfs/dbraw/zinc/53/25/90/452532590.db2.gz XOBOHACNEASGTH-WMLDXEAASA-N 2 2 346.475 1.824 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652354415 452532597 /nfs/dbraw/zinc/53/25/97/452532597.db2.gz XOBOHACNEASGTH-WMLDXEAASA-N 2 2 346.475 1.824 20 0 EDADLP CCn1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657800066 452535936 /nfs/dbraw/zinc/53/59/36/452535936.db2.gz BDMXTJFUQPFYBI-LJQANCHMSA-N 2 2 327.476 1.809 20 0 EDADLP CCn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657800066 452535943 /nfs/dbraw/zinc/53/59/43/452535943.db2.gz BDMXTJFUQPFYBI-LJQANCHMSA-N 2 2 327.476 1.809 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cn21 ZINC000647804557 452536663 /nfs/dbraw/zinc/53/66/63/452536663.db2.gz URBNTTXEDPWSBH-OKZBNKHCSA-N 3 2 328.460 1.932 20 0 EDADLP Fc1cccnc1N1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655722989 452536789 /nfs/dbraw/zinc/53/67/89/452536789.db2.gz KRGAQONVOXDJDV-CVEARBPZSA-N 2 2 334.439 1.642 20 0 EDADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652357817 452537992 /nfs/dbraw/zinc/53/79/92/452537992.db2.gz DICYALYHWPLRCY-CKEIUWERSA-N 2 2 335.448 1.708 20 0 EDADLP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652357817 452537998 /nfs/dbraw/zinc/53/79/98/452537998.db2.gz DICYALYHWPLRCY-CKEIUWERSA-N 2 2 335.448 1.708 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCN1CC(F)(F)F ZINC000655726751 452539182 /nfs/dbraw/zinc/53/91/82/452539182.db2.gz DQVKJZMXLGCQKR-ZIAGYGMSSA-N 2 2 349.397 1.383 20 0 EDADLP C1C[C@H]([NH+]2CCC([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)CC2)CO1 ZINC000655734910 452547113 /nfs/dbraw/zinc/54/71/13/452547113.db2.gz PLXJXAOGFNTUIW-IXDOHACOSA-N 2 2 326.506 1.884 20 0 EDADLP c1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]cc1N1CCOCC1 ZINC000655745150 452554861 /nfs/dbraw/zinc/55/48/61/452554861.db2.gz CBYNDWSZXFYMNA-SFHVURJKSA-N 2 2 346.475 1.974 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000663848924 452575545 /nfs/dbraw/zinc/57/55/45/452575545.db2.gz ORTXVRVNIISSFM-BRWVUGGUSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000663848924 452575550 /nfs/dbraw/zinc/57/55/50/452575550.db2.gz ORTXVRVNIISSFM-BRWVUGGUSA-N 2 2 340.512 1.515 20 0 EDADLP COC[C@H](CC(C)(C)C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000655832531 452604076 /nfs/dbraw/zinc/60/40/76/452604076.db2.gz VTWUOJDYKQXPTK-SFHVURJKSA-N 2 2 341.540 1.824 20 0 EDADLP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000655832531 452604085 /nfs/dbraw/zinc/60/40/85/452604085.db2.gz VTWUOJDYKQXPTK-SFHVURJKSA-N 2 2 341.540 1.824 20 0 EDADLP O=C(c1ccccc1OC(F)F)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647874780 452614666 /nfs/dbraw/zinc/61/46/66/452614666.db2.gz XSPLZJLWCWWDEJ-ZDUSSCGKSA-N 2 2 339.386 1.655 20 0 EDADLP O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661833974 452618060 /nfs/dbraw/zinc/61/80/60/452618060.db2.gz CLWJMFLFDBEIGA-QZTJIDSGSA-N 2 2 343.471 1.224 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000652426170 452618408 /nfs/dbraw/zinc/61/84/08/452618408.db2.gz LLVLOVWIBWTVIF-OAHLLOKOSA-N 2 2 347.463 1.408 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926628 452664211 /nfs/dbraw/zinc/66/42/11/452664211.db2.gz HDLCGYGIUXRPEE-HNNXBMFYSA-N 2 2 346.475 1.560 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000647925471 452664423 /nfs/dbraw/zinc/66/44/23/452664423.db2.gz KKRZYBJYCGPSKN-UHFFFAOYSA-N 2 2 344.459 1.008 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC(C)([NH3+])CC2)cc1F ZINC000647925814 452664536 /nfs/dbraw/zinc/66/45/36/452664536.db2.gz YLMHDEDNHTUSKL-ZDUSSCGKSA-N 2 2 337.439 1.994 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(F)(F)F ZINC000655912310 452669825 /nfs/dbraw/zinc/66/98/25/452669825.db2.gz NBHLZBCEXRYVLX-ZDUSSCGKSA-N 2 2 341.337 1.620 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC[C@H]1[NH3+] ZINC000647936495 452676554 /nfs/dbraw/zinc/67/65/54/452676554.db2.gz GGOSAVPKQVUWQZ-YLFCFFPRSA-N 2 2 325.497 1.757 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC[C@H]1[NH3+] ZINC000647936495 452676561 /nfs/dbraw/zinc/67/65/61/452676561.db2.gz GGOSAVPKQVUWQZ-YLFCFFPRSA-N 2 2 325.497 1.757 20 0 EDADLP CC[C@H]1C[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647936847 452677087 /nfs/dbraw/zinc/67/70/87/452677087.db2.gz MCZKKQACKQBXAQ-XJKSGUPXSA-N 2 2 326.462 1.528 20 0 EDADLP CC[C@H]1C[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647936847 452677092 /nfs/dbraw/zinc/67/70/92/452677092.db2.gz MCZKKQACKQBXAQ-XJKSGUPXSA-N 2 2 326.462 1.528 20 0 EDADLP Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663968522 452677851 /nfs/dbraw/zinc/67/78/51/452677851.db2.gz FWENPXBFPNAPQH-QGZVFWFLSA-N 2 2 348.491 1.920 20 0 EDADLP Cc1ccc2c(c1C)OC[C@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663968522 452677855 /nfs/dbraw/zinc/67/78/55/452677855.db2.gz FWENPXBFPNAPQH-QGZVFWFLSA-N 2 2 348.491 1.920 20 0 EDADLP c1[nH+]cn2c1CN(C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000647939650 452681692 /nfs/dbraw/zinc/68/16/92/452681692.db2.gz VWBNWPVXFSNVOL-IBGZPJMESA-N 2 2 326.444 1.990 20 0 EDADLP c1[nH+]cn2c1CN(C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000647939650 452681700 /nfs/dbraw/zinc/68/17/00/452681700.db2.gz VWBNWPVXFSNVOL-IBGZPJMESA-N 2 2 326.444 1.990 20 0 EDADLP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nnc2n1CCCCC2 ZINC000661942018 452695194 /nfs/dbraw/zinc/69/51/94/452695194.db2.gz TWPUTXCLPUPTBC-OAHLLOKOSA-N 2 2 348.495 1.209 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000647957586 452703223 /nfs/dbraw/zinc/70/32/23/452703223.db2.gz HRAYAVWPIWVYBH-GOSISDBHSA-N 2 2 333.432 1.718 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000647957586 452703231 /nfs/dbraw/zinc/70/32/31/452703231.db2.gz HRAYAVWPIWVYBH-GOSISDBHSA-N 2 2 333.432 1.718 20 0 EDADLP Cc1nsc(N2CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000647965257 452710944 /nfs/dbraw/zinc/71/09/44/452710944.db2.gz OUTPXFPFZBNYHM-AWEZNQCLSA-N 2 2 327.498 1.060 20 0 EDADLP Cc1nsc(N2CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000647965257 452710951 /nfs/dbraw/zinc/71/09/51/452710951.db2.gz OUTPXFPFZBNYHM-AWEZNQCLSA-N 2 2 327.498 1.060 20 0 EDADLP Cc1nsc(N2CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000647965257 452710962 /nfs/dbraw/zinc/71/09/62/452710962.db2.gz OUTPXFPFZBNYHM-AWEZNQCLSA-N 2 2 327.498 1.060 20 0 EDADLP Cc1nsc(N2CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000647965257 452710965 /nfs/dbraw/zinc/71/09/65/452710965.db2.gz OUTPXFPFZBNYHM-AWEZNQCLSA-N 2 2 327.498 1.060 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000647966235 452711596 /nfs/dbraw/zinc/71/15/96/452711596.db2.gz HKATVIZOLMCGRH-WMZOPIPTSA-N 2 2 328.497 1.738 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000647966235 452711601 /nfs/dbraw/zinc/71/16/01/452711601.db2.gz HKATVIZOLMCGRH-WMZOPIPTSA-N 2 2 328.497 1.738 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000659823977 452713170 /nfs/dbraw/zinc/71/31/70/452713170.db2.gz XRQHCNTXVNCLES-ZDUSSCGKSA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000659823977 452713175 /nfs/dbraw/zinc/71/31/75/452713175.db2.gz XRQHCNTXVNCLES-ZDUSSCGKSA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000647970452 452715998 /nfs/dbraw/zinc/71/59/98/452715998.db2.gz QXQMIZUYPOPAEP-RTBURBONSA-N 2 2 335.492 1.351 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000647970452 452716005 /nfs/dbraw/zinc/71/60/05/452716005.db2.gz QXQMIZUYPOPAEP-RTBURBONSA-N 2 2 335.492 1.351 20 0 EDADLP C[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649268 452742839 /nfs/dbraw/zinc/74/28/39/452742839.db2.gz AQRLMXBLSVNWBU-OAGGEKHMSA-N 2 2 349.479 1.727 20 0 EDADLP C[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649268 452742844 /nfs/dbraw/zinc/74/28/44/452742844.db2.gz AQRLMXBLSVNWBU-OAGGEKHMSA-N 2 2 349.479 1.727 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)[C@@H](C[NH3+])C1 ZINC000655976457 452758886 /nfs/dbraw/zinc/75/88/86/452758886.db2.gz YEMVVCFNQVRPMO-HOTGVXAUSA-N 2 2 343.431 1.243 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ncco2)[C@@H](C[NH3+])C1 ZINC000655976457 452758894 /nfs/dbraw/zinc/75/88/94/452758894.db2.gz YEMVVCFNQVRPMO-HOTGVXAUSA-N 2 2 343.431 1.243 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3CCC(O)CC3)C2)CC1 ZINC000664131352 452811797 /nfs/dbraw/zinc/81/17/97/452811797.db2.gz WSJKEIXVLFQOJS-CKDBGZEDSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3CCC(O)CC3)C2)CC1 ZINC000664131352 452811805 /nfs/dbraw/zinc/81/18/05/452811805.db2.gz WSJKEIXVLFQOJS-CKDBGZEDSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000664133068 452814752 /nfs/dbraw/zinc/81/47/52/452814752.db2.gz QTKPGTWRBUJCJS-HZPDHXFCSA-N 2 2 345.491 1.653 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000664133068 452814762 /nfs/dbraw/zinc/81/47/62/452814762.db2.gz QTKPGTWRBUJCJS-HZPDHXFCSA-N 2 2 345.491 1.653 20 0 EDADLP Cc1nc(NCC2CC[NH+](C3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000664152800 452825614 /nfs/dbraw/zinc/82/56/14/452825614.db2.gz HMOHMUJCJYJLOP-UHFFFAOYSA-N 2 2 334.468 1.549 20 0 EDADLP Cc1nc(N(C)C)nc(NCC2CC[NH+](C3CCOCC3)CC2)[nH+]1 ZINC000664152800 452825625 /nfs/dbraw/zinc/82/56/25/452825625.db2.gz HMOHMUJCJYJLOP-UHFFFAOYSA-N 2 2 334.468 1.549 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000648152415 452863051 /nfs/dbraw/zinc/86/30/51/452863051.db2.gz BBQWUDFTMVAFLK-AWEZNQCLSA-N 2 2 335.423 1.409 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CCC(C)(C)[NH3+])c2)CC1 ZINC000648164521 452874140 /nfs/dbraw/zinc/87/41/40/452874140.db2.gz HOUICCBANBTLRO-UHFFFAOYSA-N 2 2 346.475 1.807 20 0 EDADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000648174464 452884706 /nfs/dbraw/zinc/88/47/06/452884706.db2.gz VOXNWOQQWXJVMB-FPCVCCKLSA-N 2 2 342.443 1.412 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000648174573 452884781 /nfs/dbraw/zinc/88/47/81/452884781.db2.gz OEQSAAQIUHAPBR-LSDHHAIUSA-N 2 2 332.448 1.660 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccn(C(C)(C)C)n3)C2)CC1 ZINC000654775384 452907140 /nfs/dbraw/zinc/90/71/40/452907140.db2.gz KUTJTKVOMPTFFH-CQSZACIVSA-N 2 2 333.480 1.536 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccn(C(C)(C)C)n3)C2)CC1 ZINC000654775384 452907147 /nfs/dbraw/zinc/90/71/47/452907147.db2.gz KUTJTKVOMPTFFH-CQSZACIVSA-N 2 2 333.480 1.536 20 0 EDADLP CC(C)[C@@H]([NH3+])CC(=O)N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000648201679 452907936 /nfs/dbraw/zinc/90/79/36/452907936.db2.gz ZBHIMCFLDVDOJG-INIZCTEOSA-N 2 2 335.496 1.656 20 0 EDADLP COc1c(N)[nH+]cnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000656184392 452948054 /nfs/dbraw/zinc/94/80/54/452948054.db2.gz RBYCWRNXQDIMLT-GASCZTMLSA-N 2 2 325.416 1.636 20 0 EDADLP COc1c(N)[nH+]cnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000656184392 452948061 /nfs/dbraw/zinc/94/80/61/452948061.db2.gz RBYCWRNXQDIMLT-GASCZTMLSA-N 2 2 325.416 1.636 20 0 EDADLP COc1c(N)nc[nH+]c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000656184392 452948074 /nfs/dbraw/zinc/94/80/74/452948074.db2.gz RBYCWRNXQDIMLT-GASCZTMLSA-N 2 2 325.416 1.636 20 0 EDADLP COc1c(N)nc[nH+]c1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000656184392 452948079 /nfs/dbraw/zinc/94/80/79/452948079.db2.gz RBYCWRNXQDIMLT-GASCZTMLSA-N 2 2 325.416 1.636 20 0 EDADLP COc1c(N)[nH+]cnc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000664282989 452964855 /nfs/dbraw/zinc/96/48/55/452964855.db2.gz GIBBCWCZXNOWQT-UHFFFAOYSA-N 2 2 328.420 1.787 20 0 EDADLP COc1c(N)nc[nH+]c1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000664282989 452964860 /nfs/dbraw/zinc/96/48/60/452964860.db2.gz GIBBCWCZXNOWQT-UHFFFAOYSA-N 2 2 328.420 1.787 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000645977542 452965740 /nfs/dbraw/zinc/96/57/40/452965740.db2.gz GAAWDSAGYPHWLH-IXDOHACOSA-N 3 2 336.524 1.297 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000645977542 452965746 /nfs/dbraw/zinc/96/57/46/452965746.db2.gz GAAWDSAGYPHWLH-IXDOHACOSA-N 3 2 336.524 1.297 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652813181 452972209 /nfs/dbraw/zinc/97/22/09/452972209.db2.gz ZGADPWKTFTXQKV-MSOLQXFVSA-N 2 2 340.427 1.385 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652813181 452972218 /nfs/dbraw/zinc/97/22/18/452972218.db2.gz ZGADPWKTFTXQKV-MSOLQXFVSA-N 2 2 340.427 1.385 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000650754280 452972708 /nfs/dbraw/zinc/97/27/08/452972708.db2.gz FLDUYNOGZAQQOJ-MSOLQXFVSA-N 2 2 347.528 1.809 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000650754280 452972715 /nfs/dbraw/zinc/97/27/15/452972715.db2.gz FLDUYNOGZAQQOJ-MSOLQXFVSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000650754280 452972720 /nfs/dbraw/zinc/97/27/20/452972720.db2.gz FLDUYNOGZAQQOJ-MSOLQXFVSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000650754280 452972725 /nfs/dbraw/zinc/97/27/25/452972725.db2.gz FLDUYNOGZAQQOJ-MSOLQXFVSA-N 2 2 347.528 1.809 20 0 EDADLP CN1CCN(c2cc(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)nc[nH+]2)CC1=O ZINC000656228360 452976879 /nfs/dbraw/zinc/97/68/79/452976879.db2.gz WFXZNFWPEAQTRE-LSDHHAIUSA-N 2 2 344.463 1.184 20 0 EDADLP CN1CCN(c2cc(N[C@H]3CCC[N@H+]4CCCC[C@H]34)nc[nH+]2)CC1=O ZINC000656228360 452976885 /nfs/dbraw/zinc/97/68/85/452976885.db2.gz WFXZNFWPEAQTRE-LSDHHAIUSA-N 2 2 344.463 1.184 20 0 EDADLP C[N@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662251757 452978751 /nfs/dbraw/zinc/97/87/51/452978751.db2.gz FJBNENSAZJKLBG-UKRRQHHQSA-N 2 2 348.365 1.365 20 0 EDADLP C[N@@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662251757 452978760 /nfs/dbraw/zinc/97/87/60/452978760.db2.gz FJBNENSAZJKLBG-UKRRQHHQSA-N 2 2 348.365 1.365 20 0 EDADLP c1ccc(N(CC[NH+]2CCOCC2)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662260362 452991737 /nfs/dbraw/zinc/99/17/37/452991737.db2.gz KJRMSOMXOHTEOB-GOSISDBHSA-N 2 2 331.460 1.346 20 0 EDADLP CN(C(=O)C1(C(=O)C2CC2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310791 452993199 /nfs/dbraw/zinc/99/31/99/452993199.db2.gz KZXIKUMVSKIHKF-MRXNPFEDSA-N 2 2 333.476 1.373 20 0 EDADLP CN(C(=O)C1(C(=O)C2CC2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310791 452993208 /nfs/dbraw/zinc/99/32/08/452993208.db2.gz KZXIKUMVSKIHKF-MRXNPFEDSA-N 2 2 333.476 1.373 20 0 EDADLP C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662262691 452993497 /nfs/dbraw/zinc/99/34/97/452993497.db2.gz XFNMWUSJNOIXOL-DZGCQCFKSA-N 2 2 325.403 1.632 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000662265645 452995918 /nfs/dbraw/zinc/99/59/18/452995918.db2.gz SKSJUFMQBXFABC-NVXWUHKLSA-N 2 2 337.489 1.559 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000662265645 452995928 /nfs/dbraw/zinc/99/59/28/452995928.db2.gz SKSJUFMQBXFABC-NVXWUHKLSA-N 2 2 337.489 1.559 20 0 EDADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286739 453012583 /nfs/dbraw/zinc/01/25/83/453012583.db2.gz KPJAFHPUXGTYPS-LBPRGKRZSA-N 2 2 341.402 1.188 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319420 453034961 /nfs/dbraw/zinc/03/49/61/453034961.db2.gz MXWFTIZCOUFXGF-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319420 453034968 /nfs/dbraw/zinc/03/49/68/453034968.db2.gz MXWFTIZCOUFXGF-BRWVUGGUSA-N 2 2 325.497 1.724 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652881746 453039111 /nfs/dbraw/zinc/03/91/11/453039111.db2.gz CWSXDJCNRUBOSD-GOSISDBHSA-N 2 2 326.444 1.738 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652881746 453039122 /nfs/dbraw/zinc/03/91/22/453039122.db2.gz CWSXDJCNRUBOSD-GOSISDBHSA-N 2 2 326.444 1.738 20 0 EDADLP COc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)sn1 ZINC000660127115 453053445 /nfs/dbraw/zinc/05/34/45/453053445.db2.gz HWESVCCWGWGINP-YIONKMFJSA-N 2 2 336.505 1.895 20 0 EDADLP COc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)sn1 ZINC000660127115 453053454 /nfs/dbraw/zinc/05/34/54/453053454.db2.gz HWESVCCWGWGINP-YIONKMFJSA-N 2 2 336.505 1.895 20 0 EDADLP COc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)sn1 ZINC000660127115 453053463 /nfs/dbraw/zinc/05/34/63/453053463.db2.gz HWESVCCWGWGINP-YIONKMFJSA-N 2 2 336.505 1.895 20 0 EDADLP COc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)sn1 ZINC000660127115 453053472 /nfs/dbraw/zinc/05/34/72/453053472.db2.gz HWESVCCWGWGINP-YIONKMFJSA-N 2 2 336.505 1.895 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000660129608 453055271 /nfs/dbraw/zinc/05/52/71/453055271.db2.gz SDFIYUNJKAOPAB-AWEZNQCLSA-N 2 2 334.445 1.318 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000660129608 453055279 /nfs/dbraw/zinc/05/52/79/453055279.db2.gz SDFIYUNJKAOPAB-AWEZNQCLSA-N 2 2 334.445 1.318 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000662356739 453070101 /nfs/dbraw/zinc/07/01/01/453070101.db2.gz VPFJXEKKLMBUNX-HNNXBMFYSA-N 2 2 333.432 1.100 20 0 EDADLP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1[nH]cc[nH+]1 ZINC000660144312 453076795 /nfs/dbraw/zinc/07/67/95/453076795.db2.gz SKSMJJMBWJUATM-UHFFFAOYSA-N 2 2 341.459 1.754 20 0 EDADLP C[C@@H]1CN(CC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)O1 ZINC000660155216 453086117 /nfs/dbraw/zinc/08/61/17/453086117.db2.gz NBLMLGFDTCGZQF-MKXGPGLRSA-N 2 2 338.540 1.053 20 0 EDADLP C[C@@H]1CN(CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)O1 ZINC000660155216 453086123 /nfs/dbraw/zinc/08/61/23/453086123.db2.gz NBLMLGFDTCGZQF-MKXGPGLRSA-N 2 2 338.540 1.053 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@@H](C)O1 ZINC000660155216 453086130 /nfs/dbraw/zinc/08/61/30/453086130.db2.gz NBLMLGFDTCGZQF-MKXGPGLRSA-N 2 2 338.540 1.053 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000660167385 453100030 /nfs/dbraw/zinc/10/00/30/453100030.db2.gz REEQTVWBILOXOW-UHFFFAOYSA-N 2 2 337.489 1.655 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000660167385 453100038 /nfs/dbraw/zinc/10/00/38/453100038.db2.gz REEQTVWBILOXOW-UHFFFAOYSA-N 2 2 337.489 1.655 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102951 453104335 /nfs/dbraw/zinc/10/43/35/453104335.db2.gz YKFMMWIWUQHKJS-IRXDYDNUSA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102951 453104343 /nfs/dbraw/zinc/10/43/43/453104343.db2.gz YKFMMWIWUQHKJS-IRXDYDNUSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000664539831 453180305 /nfs/dbraw/zinc/18/03/05/453180305.db2.gz RQEGZGLDMOERSU-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(F)(F)F ZINC000666851809 453190879 /nfs/dbraw/zinc/19/08/79/453190879.db2.gz IJMVQHLNLTUFPK-LBPRGKRZSA-N 2 2 326.407 1.756 20 0 EDADLP CC(C)[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(F)(F)F ZINC000666851809 453190888 /nfs/dbraw/zinc/19/08/88/453190888.db2.gz IJMVQHLNLTUFPK-LBPRGKRZSA-N 2 2 326.407 1.756 20 0 EDADLP COc1cc(F)cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000664567252 453200937 /nfs/dbraw/zinc/20/09/37/453200937.db2.gz IJDGYQSLIKEMID-UHFFFAOYSA-N 2 2 340.443 1.517 20 0 EDADLP COc1cc(F)cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664567252 453200941 /nfs/dbraw/zinc/20/09/41/453200941.db2.gz IJDGYQSLIKEMID-UHFFFAOYSA-N 2 2 340.443 1.517 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)C[N@@H+](C)[C@H]3CCSC3)cn21 ZINC000648709264 453201630 /nfs/dbraw/zinc/20/16/30/453201630.db2.gz OMPZSXHHMHXWSP-HNNXBMFYSA-N 2 2 332.473 1.739 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)C[N@H+](C)[C@H]3CCSC3)cn21 ZINC000648709264 453201638 /nfs/dbraw/zinc/20/16/38/453201638.db2.gz OMPZSXHHMHXWSP-HNNXBMFYSA-N 2 2 332.473 1.739 20 0 EDADLP Cc1cccn2cc(CCNC(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)[nH+]c12 ZINC000662486713 453202646 /nfs/dbraw/zinc/20/26/46/453202646.db2.gz NNNGFUYTTLETJB-CYBMUJFWSA-N 2 2 338.415 1.415 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651029029 453204922 /nfs/dbraw/zinc/20/49/22/453204922.db2.gz GUWBVQAESMKDBH-INIZCTEOSA-N 2 2 334.464 1.235 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651029029 453204931 /nfs/dbraw/zinc/20/49/31/453204931.db2.gz GUWBVQAESMKDBH-INIZCTEOSA-N 2 2 334.464 1.235 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC2(c3noc(C[NH+](C)C)n3)CCCC2)CC[N@@H+]1C ZINC000648753766 453235609 /nfs/dbraw/zinc/23/56/09/453235609.db2.gz IDTGZBGPFSCYNY-CHWSQXEVSA-N 2 2 335.452 1.357 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC2(c3noc(C[NH+](C)C)n3)CCCC2)CC[N@H+]1C ZINC000648753766 453235617 /nfs/dbraw/zinc/23/56/17/453235617.db2.gz IDTGZBGPFSCYNY-CHWSQXEVSA-N 2 2 335.452 1.357 20 0 EDADLP CN(Cc1ccc(Br)s1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653060710 453237232 /nfs/dbraw/zinc/23/72/32/453237232.db2.gz OQBRKWUUNASAAW-JTQLQIEISA-N 2 2 334.283 1.748 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000646223794 453237616 /nfs/dbraw/zinc/23/76/16/453237616.db2.gz LJPQDIIRRPEHOK-OAHLLOKOSA-N 2 2 330.432 1.308 20 0 EDADLP Cn1cnnc1Sc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653062820 453238707 /nfs/dbraw/zinc/23/87/07/453238707.db2.gz LGTOYZFFZIYIKU-ZDUSSCGKSA-N 2 2 334.449 1.184 20 0 EDADLP CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653064120 453241055 /nfs/dbraw/zinc/24/10/55/453241055.db2.gz GVIAHWBGTVYQDM-LBPRGKRZSA-N 2 2 333.354 1.823 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)cn21 ZINC000646234323 453245355 /nfs/dbraw/zinc/24/53/55/453245355.db2.gz JFNIMBACHMEBRM-GJZGRUSLSA-N 2 2 329.448 1.954 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn21 ZINC000646234966 453246231 /nfs/dbraw/zinc/24/62/31/453246231.db2.gz XCTDZIQICJDJIB-BHYGNILZSA-N 2 2 341.459 1.954 20 0 EDADLP CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c2)n1 ZINC000653074104 453252228 /nfs/dbraw/zinc/25/22/28/453252228.db2.gz ZOCWTUJRAYLBSR-HNNXBMFYSA-N 2 2 343.431 1.629 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000653084613 453267103 /nfs/dbraw/zinc/26/71/03/453267103.db2.gz MBNVPMTXVWLAGD-CABCVRRESA-N 2 2 343.830 1.658 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000653086283 453269358 /nfs/dbraw/zinc/26/93/58/453269358.db2.gz MKDFKRSSJWBVHO-LSDHHAIUSA-N 2 2 325.840 1.519 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000666946206 453270712 /nfs/dbraw/zinc/27/07/12/453270712.db2.gz UIHCDVNQLSQRMI-HUUCEWRRSA-N 2 2 347.463 1.205 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000653106199 453287134 /nfs/dbraw/zinc/28/71/34/453287134.db2.gz WWTLSOUGCGJYRM-INIZCTEOSA-N 2 2 338.883 1.263 20 0 EDADLP COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000653105114 453288297 /nfs/dbraw/zinc/28/82/97/453288297.db2.gz GMICRPJZXZCUBG-ZWKOTPCHSA-N 3 2 348.491 1.227 20 0 EDADLP Cn1ccnc1[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccc(F)c1 ZINC000653107119 453289244 /nfs/dbraw/zinc/28/92/44/453289244.db2.gz YOYHSPMCPUSVTH-GJZGRUSLSA-N 2 2 333.411 1.044 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653108172 453291251 /nfs/dbraw/zinc/29/12/51/453291251.db2.gz LOVMDKQFUAEGES-GOEBONIOSA-N 2 2 344.459 1.530 20 0 EDADLP COc1ccccc1N1CCC(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653113392 453299976 /nfs/dbraw/zinc/29/99/76/453299976.db2.gz AXCGPFUBAIFGRO-OAHLLOKOSA-N 2 2 334.464 1.059 20 0 EDADLP C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000653122695 453313021 /nfs/dbraw/zinc/31/30/21/453313021.db2.gz AYKSPWKTHNQJDZ-WMZOPIPTSA-N 3 2 332.492 1.388 20 0 EDADLP C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653122695 453313027 /nfs/dbraw/zinc/31/30/27/453313027.db2.gz AYKSPWKTHNQJDZ-WMZOPIPTSA-N 3 2 332.492 1.388 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646357454 453345580 /nfs/dbraw/zinc/34/55/80/453345580.db2.gz WKEZFAKPHHBRAM-UHFFFAOYSA-N 2 2 326.400 1.277 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000646357097 453345854 /nfs/dbraw/zinc/34/58/54/453345854.db2.gz NRCCLNNTAQGEGI-SFHVURJKSA-N 2 2 331.460 1.470 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000646357097 453345860 /nfs/dbraw/zinc/34/58/60/453345860.db2.gz NRCCLNNTAQGEGI-SFHVURJKSA-N 2 2 331.460 1.470 20 0 EDADLP Cn1cc([C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c2ccc(F)cc2)cn1 ZINC000653156333 453346228 /nfs/dbraw/zinc/34/62/28/453346228.db2.gz YDTUFJXSMVQREH-HOTGVXAUSA-N 2 2 333.411 1.044 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccn12 ZINC000655241849 453360086 /nfs/dbraw/zinc/36/00/86/453360086.db2.gz SOEGISFXBVQFIH-YUELXQCFSA-N 2 2 330.432 1.870 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccn12 ZINC000655241849 453360089 /nfs/dbraw/zinc/36/00/89/453360089.db2.gz SOEGISFXBVQFIH-YUELXQCFSA-N 2 2 330.432 1.870 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662671701 453386805 /nfs/dbraw/zinc/38/68/05/453386805.db2.gz OXCOQPFYUZRPGN-AEFFLSMTSA-N 2 2 347.459 1.012 20 0 EDADLP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703289 453426147 /nfs/dbraw/zinc/42/61/47/453426147.db2.gz JEUSQBMQRXRJBP-ZWKOTPCHSA-N 2 2 335.492 1.193 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000664820899 453427888 /nfs/dbraw/zinc/42/78/88/453427888.db2.gz PXXCWYYUFNVKIS-CQSZACIVSA-N 2 2 334.455 1.995 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000664820899 453427892 /nfs/dbraw/zinc/42/78/92/453427892.db2.gz PXXCWYYUFNVKIS-CQSZACIVSA-N 2 2 334.455 1.995 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000660658112 453494241 /nfs/dbraw/zinc/49/42/41/453494241.db2.gz CIYUWTSZELKAQA-LJQANCHMSA-N 3 2 336.524 1.393 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000660658112 453494251 /nfs/dbraw/zinc/49/42/51/453494251.db2.gz CIYUWTSZELKAQA-LJQANCHMSA-N 3 2 336.524 1.393 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000660658112 453494258 /nfs/dbraw/zinc/49/42/58/453494258.db2.gz CIYUWTSZELKAQA-LJQANCHMSA-N 3 2 336.524 1.393 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000660658112 453494265 /nfs/dbraw/zinc/49/42/65/453494265.db2.gz CIYUWTSZELKAQA-LJQANCHMSA-N 3 2 336.524 1.393 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)C2=O)n1 ZINC000660658700 453496375 /nfs/dbraw/zinc/49/63/75/453496375.db2.gz JEYMDXQUWVQGSW-MAUKXSAKSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)C2=O)n1 ZINC000660658700 453496384 /nfs/dbraw/zinc/49/63/84/453496384.db2.gz JEYMDXQUWVQGSW-MAUKXSAKSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@H]([NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)C2=O)n1 ZINC000660658700 453496393 /nfs/dbraw/zinc/49/63/93/453496393.db2.gz JEYMDXQUWVQGSW-MAUKXSAKSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@H]([NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)C2=O)n1 ZINC000660658700 453496399 /nfs/dbraw/zinc/49/63/99/453496399.db2.gz JEYMDXQUWVQGSW-MAUKXSAKSA-N 2 2 331.464 1.333 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCO[C@@H]3CCCC[C@H]31)C2 ZINC000660658718 453496858 /nfs/dbraw/zinc/49/68/58/453496858.db2.gz JNHNNGDWLIHYQD-ZHALLVOQSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCO[C@@H]3CCCC[C@H]31)C2 ZINC000660658718 453496866 /nfs/dbraw/zinc/49/68/66/453496866.db2.gz JNHNNGDWLIHYQD-ZHALLVOQSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCO[C@@H]3CCCC[C@H]31)C2 ZINC000660658718 453496869 /nfs/dbraw/zinc/49/68/69/453496869.db2.gz JNHNNGDWLIHYQD-ZHALLVOQSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCO[C@@H]3CCCC[C@H]31)C2 ZINC000660658718 453496873 /nfs/dbraw/zinc/49/68/73/453496873.db2.gz JNHNNGDWLIHYQD-ZHALLVOQSA-N 2 2 335.492 1.574 20 0 EDADLP CN1CC(=O)N(CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1=O ZINC000660680796 453508513 /nfs/dbraw/zinc/50/85/13/453508513.db2.gz XSTQWHCUUBKWFY-UHFFFAOYSA-N 2 2 330.432 1.135 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)[C@H](C[NH3+])C1 ZINC000667279419 453530046 /nfs/dbraw/zinc/53/00/46/453530046.db2.gz WALSRSLLJHRQLC-SNVBAGLBSA-N 2 2 338.362 1.607 20 0 EDADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850163 453570816 /nfs/dbraw/zinc/57/08/16/453570816.db2.gz NZTQGEQRULPJKH-DMUMMCEESA-N 2 2 341.455 1.098 20 0 EDADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850163 453570822 /nfs/dbraw/zinc/57/08/22/453570822.db2.gz NZTQGEQRULPJKH-DMUMMCEESA-N 2 2 341.455 1.098 20 0 EDADLP CC(C)[NH2+]CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662851142 453570937 /nfs/dbraw/zinc/57/09/37/453570937.db2.gz XOBCKUKILKLQIB-MSOLQXFVSA-N 2 2 331.460 1.486 20 0 EDADLP CC(C)[NH2+]CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662851142 453570941 /nfs/dbraw/zinc/57/09/41/453570941.db2.gz XOBCKUKILKLQIB-MSOLQXFVSA-N 2 2 331.460 1.486 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662849739 453571179 /nfs/dbraw/zinc/57/11/79/453571179.db2.gz KPRGTCJQXGMJCH-ZNMIVQPWSA-N 2 2 339.386 1.081 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662849739 453571181 /nfs/dbraw/zinc/57/11/81/453571181.db2.gz KPRGTCJQXGMJCH-ZNMIVQPWSA-N 2 2 339.386 1.081 20 0 EDADLP [NH3+][C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000662850667 453571200 /nfs/dbraw/zinc/57/12/00/453571200.db2.gz SBEVJGPUYFRGIX-SQNIBIBYSA-N 2 2 329.444 1.226 20 0 EDADLP [NH3+][C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C1CCC1 ZINC000662850667 453571201 /nfs/dbraw/zinc/57/12/01/453571201.db2.gz SBEVJGPUYFRGIX-SQNIBIBYSA-N 2 2 329.444 1.226 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000660826393 453590771 /nfs/dbraw/zinc/59/07/71/453590771.db2.gz GFHGUXGIAQIYAN-OAHLLOKOSA-N 2 2 343.475 1.965 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000660826393 453590774 /nfs/dbraw/zinc/59/07/74/453590774.db2.gz GFHGUXGIAQIYAN-OAHLLOKOSA-N 2 2 343.475 1.965 20 0 EDADLP CN(C(=O)[C@](C)([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900701 453593940 /nfs/dbraw/zinc/59/39/40/453593940.db2.gz OIODDCLGYWOLHA-UYAOXDASSA-N 3 2 344.503 1.487 20 0 EDADLP CN(C(=O)[C@](C)([NH3+])c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900701 453593943 /nfs/dbraw/zinc/59/39/43/453593943.db2.gz OIODDCLGYWOLHA-UYAOXDASSA-N 3 2 344.503 1.487 20 0 EDADLP CN(C(=O)[C@](C)([NH3+])c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900701 453593947 /nfs/dbraw/zinc/59/39/47/453593947.db2.gz OIODDCLGYWOLHA-UYAOXDASSA-N 2 2 344.503 1.487 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)ccc2n1C ZINC000659106971 453639347 /nfs/dbraw/zinc/63/93/47/453639347.db2.gz HULPKCLMFQTPCZ-CYBMUJFWSA-N 2 2 331.420 1.310 20 0 EDADLP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)CC2 ZINC000665292792 453639425 /nfs/dbraw/zinc/63/94/25/453639425.db2.gz JRCWLIMCLXPFOJ-ZDUSSCGKSA-N 2 2 330.388 1.435 20 0 EDADLP CC(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000665295137 453640266 /nfs/dbraw/zinc/64/02/66/453640266.db2.gz QMEJSIAMLZFHSX-HNNXBMFYSA-N 2 2 345.443 1.493 20 0 EDADLP CC(=O)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000665295137 453640269 /nfs/dbraw/zinc/64/02/69/453640269.db2.gz QMEJSIAMLZFHSX-HNNXBMFYSA-N 2 2 345.443 1.493 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660930289 453650435 /nfs/dbraw/zinc/65/04/35/453650435.db2.gz IKHJBRSWCGLOTC-ULQDDVLXSA-N 2 2 328.460 1.993 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660930289 453650438 /nfs/dbraw/zinc/65/04/38/453650438.db2.gz IKHJBRSWCGLOTC-ULQDDVLXSA-N 2 2 328.460 1.993 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCc1ccccc1 ZINC000657072224 453662098 /nfs/dbraw/zinc/66/20/98/453662098.db2.gz XRNZALXBVDNTPC-INIZCTEOSA-N 2 2 341.521 1.421 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCc1ccccc1 ZINC000657072224 453662102 /nfs/dbraw/zinc/66/21/02/453662102.db2.gz XRNZALXBVDNTPC-INIZCTEOSA-N 2 2 341.521 1.421 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000665368030 453669744 /nfs/dbraw/zinc/66/97/44/453669744.db2.gz BGLIUTPIWPLMNV-QGZVFWFLSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C ZINC000665368030 453669746 /nfs/dbraw/zinc/66/97/46/453669746.db2.gz BGLIUTPIWPLMNV-QGZVFWFLSA-N 2 2 330.476 1.939 20 0 EDADLP CN(C(=O)c1cc2cccnc2[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665368104 453669792 /nfs/dbraw/zinc/66/97/92/453669792.db2.gz KQYHWGNABNHXQC-MRXNPFEDSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1cc2cccnc2[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665368104 453669796 /nfs/dbraw/zinc/66/97/96/453669796.db2.gz KQYHWGNABNHXQC-MRXNPFEDSA-N 2 2 341.459 1.803 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000659291762 453704772 /nfs/dbraw/zinc/70/47/72/453704772.db2.gz MOOPWYWACWKSPT-AEFFLSMTSA-N 2 2 348.491 1.066 20 0 EDADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000659293566 453705961 /nfs/dbraw/zinc/70/59/61/453705961.db2.gz VPGPQKPJUSOXNN-HKUYNNGSSA-N 2 2 343.471 1.934 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000663373041 453783300 /nfs/dbraw/zinc/78/33/00/453783300.db2.gz WSYLNLIWLBPGBH-HZPDHXFCSA-N 2 2 345.409 1.706 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000663373041 453783303 /nfs/dbraw/zinc/78/33/03/453783303.db2.gz WSYLNLIWLBPGBH-HZPDHXFCSA-N 2 2 345.409 1.706 20 0 EDADLP Cc1cc(C)c(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c[nH+]1 ZINC000661293515 453785521 /nfs/dbraw/zinc/78/55/21/453785521.db2.gz VZLCCCVDQLEQQZ-KRWDZBQOSA-N 2 2 332.448 1.751 20 0 EDADLP COCC[N@H+](C)CCCNc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663386722 453786474 /nfs/dbraw/zinc/78/64/74/453786474.db2.gz CBNQTDREXJYWKQ-UHFFFAOYSA-N 2 2 335.456 1.544 20 0 EDADLP COCC[N@@H+](C)CCCNc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1 ZINC000663386722 453786478 /nfs/dbraw/zinc/78/64/78/453786478.db2.gz CBNQTDREXJYWKQ-UHFFFAOYSA-N 2 2 335.456 1.544 20 0 EDADLP CC1(O)CCN(c2cc(NCCC[NH+]3CCC(O)CC3)nc[nH+]2)CC1 ZINC000663403217 453790216 /nfs/dbraw/zinc/79/02/16/453790216.db2.gz RCNUYWGFBXGTOL-UHFFFAOYSA-N 2 2 349.479 1.087 20 0 EDADLP CC1(O)CCN(c2cc(NCCC[NH+]3CCC(O)CC3)[nH+]cn2)CC1 ZINC000663403217 453790217 /nfs/dbraw/zinc/79/02/17/453790217.db2.gz RCNUYWGFBXGTOL-UHFFFAOYSA-N 2 2 349.479 1.087 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)CO1 ZINC000663417922 453792860 /nfs/dbraw/zinc/79/28/60/453792860.db2.gz ZJZUSQSDQHGDPV-LZLYRXPVSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)CO1 ZINC000663417922 453792863 /nfs/dbraw/zinc/79/28/63/453792863.db2.gz ZJZUSQSDQHGDPV-LZLYRXPVSA-N 2 2 348.491 1.698 20 0 EDADLP Cc1cc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000661332655 453794063 /nfs/dbraw/zinc/79/40/63/453794063.db2.gz IHBHQLRSURYRGP-QGZVFWFLSA-N 2 2 332.448 1.751 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCCC2)[C@H](C)CO1 ZINC000663500119 453810817 /nfs/dbraw/zinc/81/08/17/453810817.db2.gz OTIYVBMPASBNHZ-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCCC2)[C@H](C)CO1 ZINC000663500119 453810820 /nfs/dbraw/zinc/81/08/20/453810820.db2.gz OTIYVBMPASBNHZ-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672204864 486663488 /nfs/dbraw/zinc/66/34/88/486663488.db2.gz HEIWSSIVANAFBC-JKSUJKDBSA-N 2 2 347.463 1.037 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672204864 486663491 /nfs/dbraw/zinc/66/34/91/486663491.db2.gz HEIWSSIVANAFBC-JKSUJKDBSA-N 2 2 347.463 1.037 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000672309438 486690740 /nfs/dbraw/zinc/69/07/40/486690740.db2.gz RSFCUCDOWNQHKG-HUUCEWRRSA-N 2 2 345.447 1.064 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000672309438 486690743 /nfs/dbraw/zinc/69/07/43/486690743.db2.gz RSFCUCDOWNQHKG-HUUCEWRRSA-N 2 2 345.447 1.064 20 0 EDADLP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676349882 486745784 /nfs/dbraw/zinc/74/57/84/486745784.db2.gz YVLAVJOHOZJTTM-APHBMKBZSA-N 2 2 339.867 1.778 20 0 EDADLP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676349882 486745786 /nfs/dbraw/zinc/74/57/86/486745786.db2.gz YVLAVJOHOZJTTM-APHBMKBZSA-N 2 2 339.867 1.778 20 0 EDADLP c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667501140 486812520 /nfs/dbraw/zinc/81/25/20/486812520.db2.gz OJDAIAGGMMQUAS-UHFFFAOYSA-N 3 2 341.459 1.812 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683849796 486839890 /nfs/dbraw/zinc/83/98/90/486839890.db2.gz BQDXVWDNEMEYHT-MSOLQXFVSA-N 3 2 334.508 1.240 20 0 EDADLP CN(C(=O)[C@@H]1CCC[NH+]1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683849796 486839894 /nfs/dbraw/zinc/83/98/94/486839894.db2.gz BQDXVWDNEMEYHT-MSOLQXFVSA-N 3 2 334.508 1.240 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000683849796 486839898 /nfs/dbraw/zinc/83/98/98/486839898.db2.gz BQDXVWDNEMEYHT-MSOLQXFVSA-N 3 2 334.508 1.240 20 0 EDADLP CN(C(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000683849796 486839901 /nfs/dbraw/zinc/83/99/01/486839901.db2.gz BQDXVWDNEMEYHT-MSOLQXFVSA-N 3 2 334.508 1.240 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C[NH3+])o3)c2)CCO1 ZINC000166123782 486852316 /nfs/dbraw/zinc/85/23/16/486852316.db2.gz ISZSCUZFADDNIT-AWEZNQCLSA-N 2 2 343.427 1.889 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C[NH3+])o3)c2)CCO1 ZINC000166123782 486852322 /nfs/dbraw/zinc/85/23/22/486852322.db2.gz ISZSCUZFADDNIT-AWEZNQCLSA-N 2 2 343.427 1.889 20 0 EDADLP COC1CC[NH+](CCNC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000672977218 486862872 /nfs/dbraw/zinc/86/28/72/486862872.db2.gz ZPWWTFJNYPZPFV-UHFFFAOYSA-N 2 2 333.423 1.191 20 0 EDADLP Cn1ncc(C2CCC2)c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000667615264 486880772 /nfs/dbraw/zinc/88/07/72/486880772.db2.gz KRAIGRXHVVCSRV-KRWDZBQOSA-N 2 2 331.508 1.899 20 0 EDADLP Cn1ncc(C2CCC2)c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000667615264 486880778 /nfs/dbraw/zinc/88/07/78/486880778.db2.gz KRAIGRXHVVCSRV-KRWDZBQOSA-N 2 2 331.508 1.899 20 0 EDADLP CN(C(=O)N[C@H]1CCCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217582 486977338 /nfs/dbraw/zinc/97/73/38/486977338.db2.gz RMUNIUHDBFVLTM-GOEBONIOSA-N 2 2 340.537 1.692 20 0 EDADLP CN(C(=O)N[C@H]1CCCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217582 486977340 /nfs/dbraw/zinc/97/73/40/486977340.db2.gz RMUNIUHDBFVLTM-GOEBONIOSA-N 2 2 340.537 1.692 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccc(F)cc43)C2)CC1 ZINC000684440265 487060854 /nfs/dbraw/zinc/06/08/54/487060854.db2.gz GWFXLEVUTZTPHW-QAPCUYQASA-N 2 2 331.435 1.750 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccc(F)cc43)C2)CC1 ZINC000684440265 487060861 /nfs/dbraw/zinc/06/08/61/487060861.db2.gz GWFXLEVUTZTPHW-QAPCUYQASA-N 2 2 331.435 1.750 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[C@H]1C[NH+](C)CCO1 ZINC000677432709 487080146 /nfs/dbraw/zinc/08/01/46/487080146.db2.gz JKCLXDKRLPJWKL-IAOVAPTHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[C@H]1C[NH+](C)CCO1 ZINC000677432709 487080150 /nfs/dbraw/zinc/08/01/50/487080150.db2.gz JKCLXDKRLPJWKL-IAOVAPTHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@H]1C[N@H+](C)CCO1 ZINC000677432709 487080155 /nfs/dbraw/zinc/08/01/55/487080155.db2.gz JKCLXDKRLPJWKL-IAOVAPTHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000677432709 487080157 /nfs/dbraw/zinc/08/01/57/487080157.db2.gz JKCLXDKRLPJWKL-IAOVAPTHSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862690 487137151 /nfs/dbraw/zinc/13/71/51/487137151.db2.gz PIIFIUDPEQLMNL-CQSZACIVSA-N 2 2 343.435 1.025 20 0 EDADLP CC(C)OCC[NH+]1CCC(Nc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000673885544 487146774 /nfs/dbraw/zinc/14/67/74/487146774.db2.gz PWNWTDJGDBBJCY-UHFFFAOYSA-N 2 2 330.436 1.964 20 0 EDADLP O=C1[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1C1CCOCC1 ZINC000673885303 487147152 /nfs/dbraw/zinc/14/71/52/487147152.db2.gz CRBNRBZOQPCECN-SFHVURJKSA-N 2 2 340.427 1.742 20 0 EDADLP O=S1(=O)CC[C@H](CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000677695547 487152259 /nfs/dbraw/zinc/15/22/59/487152259.db2.gz XGVDAWIDPXPLKC-YQQAZPJKSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000677695547 487152263 /nfs/dbraw/zinc/15/22/63/487152263.db2.gz XGVDAWIDPXPLKC-YQQAZPJKSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000677695547 487152266 /nfs/dbraw/zinc/15/22/66/487152266.db2.gz XGVDAWIDPXPLKC-YQQAZPJKSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000677695547 487152269 /nfs/dbraw/zinc/15/22/69/487152269.db2.gz XGVDAWIDPXPLKC-YQQAZPJKSA-N 2 2 326.506 1.760 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000677729624 487160107 /nfs/dbraw/zinc/16/01/07/487160107.db2.gz GYZNOGAXGCZJRG-INIZCTEOSA-N 2 2 337.414 1.918 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000677729624 487160110 /nfs/dbraw/zinc/16/01/10/487160110.db2.gz GYZNOGAXGCZJRG-INIZCTEOSA-N 2 2 337.414 1.918 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C(F)F)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000677731672 487160690 /nfs/dbraw/zinc/16/06/90/487160690.db2.gz KQQHEHDFTRCTAW-CYBMUJFWSA-N 2 2 343.443 1.979 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000677731672 487160692 /nfs/dbraw/zinc/16/06/92/487160692.db2.gz KQQHEHDFTRCTAW-CYBMUJFWSA-N 2 2 343.443 1.979 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000684898726 487190574 /nfs/dbraw/zinc/19/05/74/487190574.db2.gz LLUDJTLEKAUOND-INIZCTEOSA-N 2 2 345.491 1.952 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[NH+](C)C ZINC000674287735 487228527 /nfs/dbraw/zinc/22/85/27/487228527.db2.gz ACTSDEZUZPTWJS-ZDUSSCGKSA-N 2 2 345.447 1.326 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1)[NH+](C)C ZINC000674287735 487228529 /nfs/dbraw/zinc/22/85/29/487228529.db2.gz ACTSDEZUZPTWJS-ZDUSSCGKSA-N 2 2 345.447 1.326 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C[C@@H]1C ZINC000685797641 487325900 /nfs/dbraw/zinc/32/59/00/487325900.db2.gz FZPNPGQVGWZVPC-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C[C@@H]1C ZINC000685797641 487325902 /nfs/dbraw/zinc/32/59/02/487325902.db2.gz FZPNPGQVGWZVPC-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C[C@@H]1C ZINC000685797641 487325904 /nfs/dbraw/zinc/32/59/04/487325904.db2.gz FZPNPGQVGWZVPC-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C[C@@H]1C ZINC000685797641 487325907 /nfs/dbraw/zinc/32/59/07/487325907.db2.gz FZPNPGQVGWZVPC-HOCLYGCPSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)sc2C1 ZINC000682444559 487365135 /nfs/dbraw/zinc/36/51/35/487365135.db2.gz SSWIKSGIXRTVGM-NSHDSACASA-N 2 2 331.445 1.919 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)sc2C1 ZINC000682444559 487365137 /nfs/dbraw/zinc/36/51/37/487365137.db2.gz SSWIKSGIXRTVGM-NSHDSACASA-N 2 2 331.445 1.919 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000682483341 487373661 /nfs/dbraw/zinc/37/36/61/487373661.db2.gz IQBLJQKCBZQPJL-KRWDZBQOSA-N 2 2 346.475 1.406 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)COC2 ZINC000675886286 487456525 /nfs/dbraw/zinc/45/65/25/487456525.db2.gz QIBRCGIYFBQVFR-UZLBHIALSA-N 2 2 345.487 1.774 20 0 EDADLP CN(C)c1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000675899675 487458005 /nfs/dbraw/zinc/45/80/05/487458005.db2.gz IFRHTEKHTVKNES-SFHVURJKSA-N 2 2 330.476 1.491 20 0 EDADLP CN(C)c1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000675899675 487458006 /nfs/dbraw/zinc/45/80/06/487458006.db2.gz IFRHTEKHTVKNES-SFHVURJKSA-N 2 2 330.476 1.491 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3cscn3)C2)CC1 ZINC000676047245 487468768 /nfs/dbraw/zinc/46/87/68/487468768.db2.gz KBLAKSHZPABLAA-ZDUSSCGKSA-N 2 2 337.493 1.153 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3cscn3)C2)CC1 ZINC000676047245 487468769 /nfs/dbraw/zinc/46/87/69/487468769.db2.gz KBLAKSHZPABLAA-ZDUSSCGKSA-N 2 2 337.493 1.153 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)[N@H+](C)C1 ZINC000456701801 485644567 /nfs/dbraw/zinc/64/45/67/485644567.db2.gz PHYMZSVSIBBUDU-WHCBVINPSA-N 2 2 346.431 1.556 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)[nH+]c(C)n3[C@H](C)CO)[N@@H+](C)C1 ZINC000456701801 485644572 /nfs/dbraw/zinc/64/45/72/485644572.db2.gz PHYMZSVSIBBUDU-WHCBVINPSA-N 2 2 346.431 1.556 20 0 EDADLP O=C(NCC[NH2+]C1CC1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000668586120 485921519 /nfs/dbraw/zinc/92/15/19/485921519.db2.gz GQXQTOMICXLKBS-CQSZACIVSA-N 2 2 338.477 1.173 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669747214 486070644 /nfs/dbraw/zinc/07/06/44/486070644.db2.gz NMCFFXIPMRDOOK-JKSUJKDBSA-N 2 2 332.448 1.016 20 0 EDADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2c[nH+]c(C)n2C)CC1 ZINC000668175325 486188169 /nfs/dbraw/zinc/18/81/69/486188169.db2.gz SMGFSMXDQCIQIM-CYBMUJFWSA-N 2 2 342.509 1.611 20 0 EDADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2c[nH+]c(C)n2C)CC1 ZINC000668175325 486188172 /nfs/dbraw/zinc/18/81/72/486188172.db2.gz SMGFSMXDQCIQIM-CYBMUJFWSA-N 2 2 342.509 1.611 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)[nH+]c12 ZINC000669511738 486295074 /nfs/dbraw/zinc/29/50/74/486295074.db2.gz CHAANTDKWWWWAP-HIFRSBDPSA-N 2 2 329.448 1.812 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000668931558 486356998 /nfs/dbraw/zinc/35/69/98/486356998.db2.gz MBJXBIRDZRARBP-QAPCUYQASA-N 2 2 339.443 1.825 20 0 EDADLP C[NH+](C)C1CC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000670402940 486446917 /nfs/dbraw/zinc/44/69/17/486446917.db2.gz UXBREAFWWOXGTL-OFLPRAFFSA-N 2 2 333.501 1.985 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672148743 491196765 /nfs/dbraw/zinc/19/67/65/491196765.db2.gz WVYXNOYTNJIHRZ-AWEZNQCLSA-N 2 2 328.416 1.568 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)CCCn2cc[nH+]c2)ccn1 ZINC000124135211 491209333 /nfs/dbraw/zinc/20/93/33/491209333.db2.gz RMNNDBYLONKALS-UHFFFAOYSA-N 2 2 331.420 1.315 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000119351758 490995540 /nfs/dbraw/zinc/99/55/40/490995540.db2.gz JJIOWVMZUQZYIP-OAHLLOKOSA-N 2 2 347.463 1.690 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000119351758 490995541 /nfs/dbraw/zinc/99/55/41/490995541.db2.gz JJIOWVMZUQZYIP-OAHLLOKOSA-N 2 2 347.463 1.690 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000073334214 491007990 /nfs/dbraw/zinc/00/79/90/491007990.db2.gz SBVIFBQBMBBZQT-GOSISDBHSA-N 2 2 330.476 1.989 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000073334214 491007991 /nfs/dbraw/zinc/00/79/91/491007991.db2.gz SBVIFBQBMBBZQT-GOSISDBHSA-N 2 2 330.476 1.989 20 0 EDADLP CC(C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000073334214 491007992 /nfs/dbraw/zinc/00/79/92/491007992.db2.gz SBVIFBQBMBBZQT-GOSISDBHSA-N 2 2 330.476 1.989 20 0 EDADLP CC(C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000073334214 491007993 /nfs/dbraw/zinc/00/79/93/491007993.db2.gz SBVIFBQBMBBZQT-GOSISDBHSA-N 2 2 330.476 1.989 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](O)C1CC1 ZINC000079791198 491168173 /nfs/dbraw/zinc/16/81/73/491168173.db2.gz VYHNBIJRFYWWGF-SFHVURJKSA-N 2 2 347.459 1.160 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@H](O)C1CC1 ZINC000079791198 491168175 /nfs/dbraw/zinc/16/81/75/491168175.db2.gz VYHNBIJRFYWWGF-SFHVURJKSA-N 2 2 347.459 1.160 20 0 EDADLP COc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(SC)cc1OC ZINC000131341614 533885005 /nfs/dbraw/zinc/88/50/05/533885005.db2.gz SUWQNDHHGQEVFF-INIZCTEOSA-N 2 2 328.478 1.828 20 0 EDADLP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000236822812 534900877 /nfs/dbraw/zinc/90/08/77/534900877.db2.gz QLSRCNGPFOVWSO-GOSISDBHSA-N 2 2 346.475 1.807 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000363378882 526788619 /nfs/dbraw/zinc/78/86/19/526788619.db2.gz GMGCELQKZCWEAH-UHFFFAOYSA-N 2 2 340.431 1.693 20 0 EDADLP COC[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000353300716 536539129 /nfs/dbraw/zinc/53/91/29/536539129.db2.gz STUSLGKAZSJINB-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CCn2cc[nH+]c2)CC1 ZINC000183382151 528636051 /nfs/dbraw/zinc/63/60/51/528636051.db2.gz KOMXPINAGZKXKQ-AWEZNQCLSA-N 2 2 336.436 1.053 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000174233292 528740918 /nfs/dbraw/zinc/74/09/18/528740918.db2.gz LEZHFGVUYRUZKF-KRWDZBQOSA-N 2 2 345.491 1.002 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000174233292 528740921 /nfs/dbraw/zinc/74/09/21/528740921.db2.gz LEZHFGVUYRUZKF-KRWDZBQOSA-N 2 2 345.491 1.002 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000263269511 535054250 /nfs/dbraw/zinc/05/42/50/535054250.db2.gz WJWVHNHNGRTXAZ-INIZCTEOSA-N 2 2 343.431 1.868 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339530171 535072269 /nfs/dbraw/zinc/07/22/69/535072269.db2.gz VWJKIDNPBFWJLI-MRXNPFEDSA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000339530171 535072274 /nfs/dbraw/zinc/07/22/74/535072274.db2.gz VWJKIDNPBFWJLI-MRXNPFEDSA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000339283942 535331677 /nfs/dbraw/zinc/33/16/77/535331677.db2.gz QWFFHEVPCHYQTE-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP CCN(CC)C(=O)CN(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000261762262 535427323 /nfs/dbraw/zinc/42/73/23/535427323.db2.gz NBTNEHXVMNDXKR-INIZCTEOSA-N 2 2 347.507 1.716 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000248419691 535445216 /nfs/dbraw/zinc/44/52/16/535445216.db2.gz LETBHVFBNIDSFU-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H]1Oc1ccccc1 ZINC000346659970 535505539 /nfs/dbraw/zinc/50/55/39/535505539.db2.gz NOAMLSHIPYEMFB-KANFNMMFSA-N 2 2 334.460 1.658 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000264216566 535524726 /nfs/dbraw/zinc/52/47/26/535524726.db2.gz UZPIBAWCFFQXRD-UHFFFAOYSA-N 2 2 345.447 1.698 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCn3cc[nH+]c3C)CC2)CC1 ZINC000346304199 535613539 /nfs/dbraw/zinc/61/35/39/535613539.db2.gz HARVOPSHBHIESW-UHFFFAOYSA-N 3 2 347.507 1.458 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000352865211 535759975 /nfs/dbraw/zinc/75/99/75/535759975.db2.gz FQJFBJLWDFCGJY-UONOGXRCSA-N 2 2 334.464 1.332 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000352865211 535759981 /nfs/dbraw/zinc/75/99/81/535759981.db2.gz FQJFBJLWDFCGJY-UONOGXRCSA-N 2 2 334.464 1.332 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000353256227 535778132 /nfs/dbraw/zinc/77/81/32/535778132.db2.gz OPCCUXBKFHKELI-UONOGXRCSA-N 2 2 330.440 1.147 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000353299138 535930347 /nfs/dbraw/zinc/93/03/47/535930347.db2.gz MHLZFTUCJXTMSS-IRXDYDNUSA-N 2 2 332.448 1.337 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000353299138 535930350 /nfs/dbraw/zinc/93/03/50/535930350.db2.gz MHLZFTUCJXTMSS-IRXDYDNUSA-N 2 2 332.448 1.337 20 0 EDADLP CCc1cnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)s1 ZINC000353089223 536050385 /nfs/dbraw/zinc/05/03/85/536050385.db2.gz RQNRHVKSRPSVAU-AGUYFDCRSA-N 2 2 336.505 1.879 20 0 EDADLP CCc1cnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)s1 ZINC000353089223 536050392 /nfs/dbraw/zinc/05/03/92/536050392.db2.gz RQNRHVKSRPSVAU-AGUYFDCRSA-N 2 2 336.505 1.879 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000352867790 536056687 /nfs/dbraw/zinc/05/66/87/536056687.db2.gz KNCUODBNDKKOEW-UHFFFAOYSA-N 3 2 325.526 1.320 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000352867790 536056695 /nfs/dbraw/zinc/05/66/95/536056695.db2.gz KNCUODBNDKKOEW-UHFFFAOYSA-N 3 2 325.526 1.320 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000123762184 536405900 /nfs/dbraw/zinc/40/59/00/536405900.db2.gz HBPZLDJCCOYEBA-QGZVFWFLSA-N 2 2 327.432 1.972 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000123762184 536405903 /nfs/dbraw/zinc/40/59/03/536405903.db2.gz HBPZLDJCCOYEBA-QGZVFWFLSA-N 2 2 327.432 1.972 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000237038629 536423692 /nfs/dbraw/zinc/42/36/92/536423692.db2.gz ICXRPYBOXGOCSF-QGZVFWFLSA-N 2 2 325.416 1.472 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261724873 536559593 /nfs/dbraw/zinc/55/95/93/536559593.db2.gz JOONMXNQCBNAKH-INIZCTEOSA-N 2 2 325.840 1.636 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261724873 536559601 /nfs/dbraw/zinc/55/96/01/536559601.db2.gz JOONMXNQCBNAKH-INIZCTEOSA-N 2 2 325.840 1.636 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)[N@H+](C)C1 ZINC000344727359 536780225 /nfs/dbraw/zinc/78/02/25/536780225.db2.gz BKLGFSOHUXKKLH-LSDHHAIUSA-N 2 2 331.420 1.826 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)Nc2ccc3[nH+]c(C)cn3c2)[N@@H+](C)C1 ZINC000344727359 536780231 /nfs/dbraw/zinc/78/02/31/536780231.db2.gz BKLGFSOHUXKKLH-LSDHHAIUSA-N 2 2 331.420 1.826 20 0 EDADLP COCC[N@H+](CC(=O)N(C)C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346168127 536811884 /nfs/dbraw/zinc/81/18/84/536811884.db2.gz HVQLTKGZEFXQHA-UHFFFAOYSA-N 2 2 331.420 1.112 20 0 EDADLP COCC[N@@H+](CC(=O)N(C)C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346168127 536811892 /nfs/dbraw/zinc/81/18/92/536811892.db2.gz HVQLTKGZEFXQHA-UHFFFAOYSA-N 2 2 331.420 1.112 20 0 EDADLP COc1cc2[nH+]c(N3C[C@@H](C)[C@H]([NH+](C)C)C3)nc(N)c2cc1OC ZINC000268213072 536895018 /nfs/dbraw/zinc/89/50/18/536895018.db2.gz IKCDDSFLGVRARZ-ZWNOBZJWSA-N 2 2 331.420 1.616 20 0 EDADLP COc1ccc([C@H](NC(=O)C[C@@H]2COCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000262347095 536925813 /nfs/dbraw/zinc/92/58/13/536925813.db2.gz GBBTWCHKNGFBHW-PBHICJAKSA-N 2 2 344.415 1.013 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C[C@H](C)O1 ZINC000347075655 546515193 /nfs/dbraw/zinc/51/51/93/546515193.db2.gz FMXDTULDVCKXNG-KYHPRHEASA-N 2 2 335.448 1.005 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C[C@H](C)O1 ZINC000347075655 546515198 /nfs/dbraw/zinc/51/51/98/546515198.db2.gz FMXDTULDVCKXNG-KYHPRHEASA-N 2 2 335.448 1.005 20 0 EDADLP CON(C)C(=O)CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000788009593 578277541 /nfs/dbraw/zinc/27/75/41/578277541.db2.gz FACBGQREKLXCSQ-UHFFFAOYSA-N 2 2 335.452 1.440 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000726072671 578332275 /nfs/dbraw/zinc/33/22/75/578332275.db2.gz VELZIQCGGJGXMU-HOTGVXAUSA-N 2 2 341.496 1.774 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000726072671 578332276 /nfs/dbraw/zinc/33/22/76/578332276.db2.gz VELZIQCGGJGXMU-HOTGVXAUSA-N 2 2 341.496 1.774 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000726257520 578339558 /nfs/dbraw/zinc/33/95/58/578339558.db2.gz RZDCUUVOWZRPRA-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000726257520 578339559 /nfs/dbraw/zinc/33/95/59/578339559.db2.gz RZDCUUVOWZRPRA-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCC[C@@H]2C)CCO1 ZINC000726258974 578339976 /nfs/dbraw/zinc/33/99/76/578339976.db2.gz ZCCKVZZTPCUIPK-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCC[C@@H]2C)CCO1 ZINC000726258974 578339977 /nfs/dbraw/zinc/33/99/77/578339977.db2.gz ZCCKVZZTPCUIPK-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000726258974 578339979 /nfs/dbraw/zinc/33/99/79/578339979.db2.gz ZCCKVZZTPCUIPK-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC000726258974 578339980 /nfs/dbraw/zinc/33/99/80/578339980.db2.gz ZCCKVZZTPCUIPK-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000729605803 578584377 /nfs/dbraw/zinc/58/43/77/578584377.db2.gz MIPGWNDVVNOKDP-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000729605803 578584379 /nfs/dbraw/zinc/58/43/79/578584379.db2.gz MIPGWNDVVNOKDP-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000729605803 578584381 /nfs/dbraw/zinc/58/43/81/578584381.db2.gz MIPGWNDVVNOKDP-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000729605803 578584383 /nfs/dbraw/zinc/58/43/83/578584383.db2.gz MIPGWNDVVNOKDP-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CCNC(=S)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000730599175 578653120 /nfs/dbraw/zinc/65/31/20/578653120.db2.gz CCXDOASSEIDBRQ-MRXNPFEDSA-N 2 2 336.505 1.086 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC000732159665 578695220 /nfs/dbraw/zinc/69/52/20/578695220.db2.gz VLOQKYGEEUVDGY-UHFFFAOYSA-N 2 2 344.463 1.533 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000732805790 578730685 /nfs/dbraw/zinc/73/06/85/578730685.db2.gz ZPGXRPBJPZMCCY-ZDUSSCGKSA-N 2 2 327.432 1.916 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000732805790 578730686 /nfs/dbraw/zinc/73/06/86/578730686.db2.gz ZPGXRPBJPZMCCY-ZDUSSCGKSA-N 2 2 327.432 1.916 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)C1 ZINC000734486505 578816286 /nfs/dbraw/zinc/81/62/86/578816286.db2.gz COMMJQAMKXCCDR-MAUKXSAKSA-N 2 2 339.430 1.710 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)C1 ZINC000734486505 578816288 /nfs/dbraw/zinc/81/62/88/578816288.db2.gz COMMJQAMKXCCDR-MAUKXSAKSA-N 2 2 339.430 1.710 20 0 EDADLP C[NH+](C)C1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736756498 579017173 /nfs/dbraw/zinc/01/71/73/579017173.db2.gz JZEXNNHJQLPKDX-UHFFFAOYSA-N 2 2 349.464 1.283 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736796745 579021376 /nfs/dbraw/zinc/02/13/76/579021376.db2.gz ABAIBIRHMUGCPX-UHFFFAOYSA-N 2 2 330.436 1.145 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736796745 579021377 /nfs/dbraw/zinc/02/13/77/579021377.db2.gz ABAIBIRHMUGCPX-UHFFFAOYSA-N 2 2 330.436 1.145 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@@H](C)C[NH+]2CCOCC2)[nH+]1 ZINC000737240886 579059120 /nfs/dbraw/zinc/05/91/20/579059120.db2.gz MYVDJXUXDSZOEB-LLVKDONJSA-N 2 2 331.424 1.259 20 0 EDADLP O=C1[C@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)CCN1C1CCOCC1 ZINC000761117684 580048839 /nfs/dbraw/zinc/04/88/39/580048839.db2.gz LHQAOILBLREBOR-QGZVFWFLSA-N 2 2 344.459 1.738 20 0 EDADLP O=C1C[C@@H](c2ccccn2)CN1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738159069 579166253 /nfs/dbraw/zinc/16/62/53/579166253.db2.gz QSRBVMJMDCVDHV-HZPDHXFCSA-N 2 2 325.416 1.889 20 0 EDADLP O=C1C[C@@H](c2ccccn2)CN1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738159069 579166255 /nfs/dbraw/zinc/16/62/55/579166255.db2.gz QSRBVMJMDCVDHV-HZPDHXFCSA-N 2 2 325.416 1.889 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCn2cc[nH+]c2C1 ZINC000739023291 579194454 /nfs/dbraw/zinc/19/44/54/579194454.db2.gz LYYKXCWHWIUTMG-HNNXBMFYSA-N 2 2 333.436 1.052 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc3c([nH]c2=O)CCC3)CC1 ZINC000748749657 579699056 /nfs/dbraw/zinc/69/90/56/579699056.db2.gz FHEWSWHBLXECMD-UHFFFAOYSA-N 2 2 332.448 1.032 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000749207875 579716843 /nfs/dbraw/zinc/71/68/43/579716843.db2.gz NPGOCEUITPNBRS-HOTGVXAUSA-N 2 2 340.431 1.693 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000749207875 579716844 /nfs/dbraw/zinc/71/68/44/579716844.db2.gz NPGOCEUITPNBRS-HOTGVXAUSA-N 2 2 340.431 1.693 20 0 EDADLP CC(C)[C@@H](C(=O)OCCC[NH+]1CCOCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000750889735 579786224 /nfs/dbraw/zinc/78/62/24/579786224.db2.gz DSSRZCUAPFFROM-BBWFWOEESA-N 2 2 342.480 1.386 20 0 EDADLP CC(C)[C@@H](C(=O)OCCC[NH+]1CCOCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000750889735 579786226 /nfs/dbraw/zinc/78/62/26/579786226.db2.gz DSSRZCUAPFFROM-BBWFWOEESA-N 2 2 342.480 1.386 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754283885 579900345 /nfs/dbraw/zinc/90/03/45/579900345.db2.gz FJWPFALJAUFOHD-KBPBESRZSA-N 2 2 338.521 1.885 20 0 EDADLP C[C@@H]1C[N@H+](CN2CCSC2=S)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763331736 580097842 /nfs/dbraw/zinc/09/78/42/580097842.db2.gz HTBKYJSFZCQONR-KGLIPLIRSA-N 2 2 328.551 1.235 20 0 EDADLP C[C@@H]1C[N@@H+](CN2CCSC2=S)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763331736 580097843 /nfs/dbraw/zinc/09/78/43/580097843.db2.gz HTBKYJSFZCQONR-KGLIPLIRSA-N 2 2 328.551 1.235 20 0 EDADLP c1ccc(C[NH+]2CCC(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)nc1 ZINC000765789555 580151328 /nfs/dbraw/zinc/15/13/28/580151328.db2.gz AUYOHEBYNIDPLV-RBUKOAKNSA-N 2 2 330.476 1.499 20 0 EDADLP c1ccc(C[NH+]2CCC(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)nc1 ZINC000765789555 580151329 /nfs/dbraw/zinc/15/13/29/580151329.db2.gz AUYOHEBYNIDPLV-RBUKOAKNSA-N 2 2 330.476 1.499 20 0 EDADLP c1ccc(CN2CCC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)nc1 ZINC000765789555 580151330 /nfs/dbraw/zinc/15/13/30/580151330.db2.gz AUYOHEBYNIDPLV-RBUKOAKNSA-N 2 2 330.476 1.499 20 0 EDADLP c1ccc(CN2CCC([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)nc1 ZINC000765789555 580151331 /nfs/dbraw/zinc/15/13/31/580151331.db2.gz AUYOHEBYNIDPLV-RBUKOAKNSA-N 2 2 330.476 1.499 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)CCO2 ZINC000766022638 580156903 /nfs/dbraw/zinc/15/69/03/580156903.db2.gz GKZALXPRVSITSQ-LPHOPBHVSA-N 2 2 345.487 1.679 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(O)c(F)c2)CC1 ZINC000767315887 580186281 /nfs/dbraw/zinc/18/62/81/580186281.db2.gz AELTZGBDVSKADG-UHFFFAOYSA-N 2 2 330.363 1.930 20 0 EDADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000773007247 580325088 /nfs/dbraw/zinc/32/50/88/580325088.db2.gz OSRZHSNIHVYQLE-HKUYNNGSSA-N 2 2 343.471 1.505 20 0 EDADLP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CCS(=O)(=O)CC1 ZINC000779004780 580477819 /nfs/dbraw/zinc/47/78/19/580477819.db2.gz ZCHYCNQXLAUFFH-ZDUSSCGKSA-N 2 2 334.445 1.570 20 0 EDADLP OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000782090846 580566084 /nfs/dbraw/zinc/56/60/84/580566084.db2.gz MAJADPNUPQIKPI-LSDHHAIUSA-N 2 2 332.366 1.785 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000783645225 580603277 /nfs/dbraw/zinc/60/32/77/580603277.db2.gz DDDDAGXBSFDZNA-ZDUSSCGKSA-N 2 2 340.493 1.892 20 0 EDADLP CCC[N@H+](C[C@@H]1CCCCO1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783986139 580610336 /nfs/dbraw/zinc/61/03/36/580610336.db2.gz CHKNQFUYXLMIDD-CVEARBPZSA-N 2 2 334.464 1.975 20 0 EDADLP CCC[N@@H+](C[C@@H]1CCCCO1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783986139 580610337 /nfs/dbraw/zinc/61/03/37/580610337.db2.gz CHKNQFUYXLMIDD-CVEARBPZSA-N 2 2 334.464 1.975 20 0 EDADLP CCO[C@@H]1C[C@H]([N@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000783998117 580611384 /nfs/dbraw/zinc/61/13/84/580611384.db2.gz XVYCRNWOTVDESV-BHYGNILZSA-N 2 2 346.475 1.973 20 0 EDADLP CCO[C@@H]1C[C@H]([N@@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000783998117 580611385 /nfs/dbraw/zinc/61/13/85/580611385.db2.gz XVYCRNWOTVDESV-BHYGNILZSA-N 2 2 346.475 1.973 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000785757397 580652498 /nfs/dbraw/zinc/65/24/98/580652498.db2.gz SQUKFSHGFZESOI-MRXNPFEDSA-N 2 2 332.496 1.762 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000785757397 580652499 /nfs/dbraw/zinc/65/24/99/580652499.db2.gz SQUKFSHGFZESOI-MRXNPFEDSA-N 2 2 332.496 1.762 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000787357310 580693868 /nfs/dbraw/zinc/69/38/68/580693868.db2.gz KPAVARVENDGKNQ-CABCVRRESA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000787357310 580693867 /nfs/dbraw/zinc/69/38/67/580693867.db2.gz KPAVARVENDGKNQ-CABCVRRESA-N 2 2 327.469 1.432 20 0 EDADLP COCC[N@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H]1CC[C@H](C)C1 ZINC000790481053 580771582 /nfs/dbraw/zinc/77/15/82/580771582.db2.gz WENFQIVBPDWPIU-XHSDSOJGSA-N 2 2 334.464 1.831 20 0 EDADLP COCC[N@@H+](CN1C[C@H](c2c[nH+]cn2C)CC1=O)[C@H]1CC[C@H](C)C1 ZINC000790481053 580771583 /nfs/dbraw/zinc/77/15/83/580771583.db2.gz WENFQIVBPDWPIU-XHSDSOJGSA-N 2 2 334.464 1.831 20 0 EDADLP CCC[C@@]12CCCN1C(=O)N([C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2=O ZINC000794775281 580905592 /nfs/dbraw/zinc/90/55/92/580905592.db2.gz HHISWQIEYMVXPL-APWZRJJASA-N 2 2 348.491 1.752 20 0 EDADLP CCC[C@@]12CCCN1C(=O)N([C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2=O ZINC000794775281 580905593 /nfs/dbraw/zinc/90/55/93/580905593.db2.gz HHISWQIEYMVXPL-APWZRJJASA-N 2 2 348.491 1.752 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=S)NCC[NH+]1CCOCC1 ZINC000795132682 580914080 /nfs/dbraw/zinc/91/40/80/580914080.db2.gz SHYQROYKHSBHCO-UHFFFAOYSA-N 2 2 328.526 1.001 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C(=O)N1c1cnn(C)c1 ZINC000796314548 580950726 /nfs/dbraw/zinc/95/07/26/580950726.db2.gz GNUWGLXRTQXOLT-BXUZGUMPSA-N 2 2 348.476 1.222 20 0 EDADLP C[NH+]1CCC2(CCCN(C(=S)NCC[NH+]3CCOCC3)C2)CC1 ZINC000798374666 580995656 /nfs/dbraw/zinc/99/56/56/580995656.db2.gz XSCRGJXXASZZHL-UHFFFAOYSA-N 2 2 340.537 1.001 20 0 EDADLP CCOC(=O)C[NH+]1CCC(COC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000798825964 581009797 /nfs/dbraw/zinc/00/97/97/581009797.db2.gz FNFFWAADXKUBJB-MRXNPFEDSA-N 2 2 328.453 1.391 20 0 EDADLP COC(=O)c1ncn(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000799944029 581039467 /nfs/dbraw/zinc/03/94/67/581039467.db2.gz XDEQEFFQKBGAIZ-ZDUSSCGKSA-N 2 2 344.419 1.435 20 0 EDADLP COC(=O)c1ncn(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000799944029 581039468 /nfs/dbraw/zinc/03/94/68/581039468.db2.gz XDEQEFFQKBGAIZ-ZDUSSCGKSA-N 2 2 344.419 1.435 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000800986389 581063416 /nfs/dbraw/zinc/06/34/16/581063416.db2.gz BORFSGCKUMTLBB-VRKREXBASA-N 2 2 339.480 1.287 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000800986389 581063417 /nfs/dbraw/zinc/06/34/17/581063417.db2.gz BORFSGCKUMTLBB-VRKREXBASA-N 2 2 339.480 1.287 20 0 EDADLP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000801569245 581080432 /nfs/dbraw/zinc/08/04/32/581080432.db2.gz JSICUHFPZCOWSJ-QGZVFWFLSA-N 2 2 347.459 1.095 20 0 EDADLP NC(=O)COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000801569245 581080433 /nfs/dbraw/zinc/08/04/33/581080433.db2.gz JSICUHFPZCOWSJ-QGZVFWFLSA-N 2 2 347.459 1.095 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892045691 590769793 /nfs/dbraw/zinc/76/97/93/590769793.db2.gz ZRYSXGDHQRHIRA-HOTGVXAUSA-N 2 2 330.444 1.399 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892045691 590769796 /nfs/dbraw/zinc/76/97/96/590769796.db2.gz ZRYSXGDHQRHIRA-HOTGVXAUSA-N 2 2 330.444 1.399 20 0 EDADLP C[C@@H]1C[N@H+](CCCOC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000893385359 590823162 /nfs/dbraw/zinc/82/31/62/590823162.db2.gz HYWBFEOEVFVXRP-CQSZACIVSA-N 2 2 330.388 1.535 20 0 EDADLP C[C@@H]1C[N@@H+](CCCOC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCO1 ZINC000893385359 590823165 /nfs/dbraw/zinc/82/31/65/590823165.db2.gz HYWBFEOEVFVXRP-CQSZACIVSA-N 2 2 330.388 1.535 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000890883178 590830884 /nfs/dbraw/zinc/83/08/84/590830884.db2.gz LRXGQJHUNILZRH-UHFFFAOYSA-N 2 2 349.523 1.678 20 0 EDADLP C[C@@H]1Cc2cc(C[NH+]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)ccc2O1 ZINC000892177031 590846753 /nfs/dbraw/zinc/84/67/53/590846753.db2.gz YZDRQUIACLMRQF-QAPCUYQASA-N 2 2 343.471 1.748 20 0 EDADLP C[C@@H]1Cc2cc(C[NH+]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)ccc2O1 ZINC000892177031 590846755 /nfs/dbraw/zinc/84/67/55/590846755.db2.gz YZDRQUIACLMRQF-QAPCUYQASA-N 2 2 343.471 1.748 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892384132 591004184 /nfs/dbraw/zinc/00/41/84/591004184.db2.gz OZKKYISETVZWLJ-PMPSAXMXSA-N 2 2 338.496 1.269 20 0 EDADLP CC1(C)CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccco3)CC2)[NH2+]C1 ZINC000892393462 591008590 /nfs/dbraw/zinc/00/85/90/591008590.db2.gz OKWZMBJGRIYJSZ-HNNXBMFYSA-N 2 2 334.464 1.885 20 0 EDADLP C[NH+](C)CCC[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892429887 591025666 /nfs/dbraw/zinc/02/56/66/591025666.db2.gz SYPFRKZWMWATHO-UHFFFAOYSA-N 3 2 328.501 1.517 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000891333706 591048998 /nfs/dbraw/zinc/04/89/98/591048998.db2.gz UNSYYCVZCGRJHB-OAHLLOKOSA-N 2 2 342.447 1.845 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1OC ZINC000892521020 591056732 /nfs/dbraw/zinc/05/67/32/591056732.db2.gz GQQBYKYRWPBVHS-XUVXKRRUSA-N 2 2 347.503 1.981 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[NH+](CC3CCOCC3)CC2)nc[nH+]1 ZINC000892603889 591090761 /nfs/dbraw/zinc/09/07/61/591090761.db2.gz UKWZZKHLXMCYKK-INIZCTEOSA-N 2 2 349.479 1.208 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000891519162 591104594 /nfs/dbraw/zinc/10/45/94/591104594.db2.gz XQIAMLABUQRHDQ-LZLYRXPVSA-N 2 2 348.491 1.355 20 0 EDADLP C[NH+](C)CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000893895006 591133573 /nfs/dbraw/zinc/13/35/73/591133573.db2.gz CZWZBQLAWFCTHT-KGLIPLIRSA-N 2 2 327.469 1.600 20 0 EDADLP Cc1cc(N2CC[NH+](Cc3c(C)cc[nH+]c3N)CC2)n2ncnc2n1 ZINC000893939801 591144144 /nfs/dbraw/zinc/14/41/44/591144144.db2.gz HYLBQQXYYXJDIV-UHFFFAOYSA-N 2 2 338.419 1.041 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[NH+](Cc3cccnc3)CC2)nc[nH+]1 ZINC000891654471 591170493 /nfs/dbraw/zinc/17/04/93/591170493.db2.gz TVIBOXUMXZQJHX-INIZCTEOSA-N 2 2 342.447 1.377 20 0 EDADLP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC(n2cc[nH+]c2)CC1 ZINC000892781233 591173111 /nfs/dbraw/zinc/17/31/11/591173111.db2.gz ZKAJZTVWBYLXNW-INIZCTEOSA-N 2 2 347.463 1.388 20 0 EDADLP COC(=O)[C@@H]1[C@H](CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)C1(F)F ZINC000894200812 591225579 /nfs/dbraw/zinc/22/55/79/591225579.db2.gz WPWGXSDQKXHNJU-JSGCOSHPSA-N 2 2 340.374 1.300 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cncc(C(=O)OC)n3)CC2)CC1 ZINC000894246090 591245079 /nfs/dbraw/zinc/24/50/79/591245079.db2.gz IWPIXNYRMUIDQV-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3cncc(C(=O)OC)n3)CC2)CC1 ZINC000894246090 591245082 /nfs/dbraw/zinc/24/50/82/591245082.db2.gz IWPIXNYRMUIDQV-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000893027085 591259564 /nfs/dbraw/zinc/25/95/64/591259564.db2.gz RCZWEBKQKIPDFM-HUUCEWRRSA-N 2 2 342.447 1.997 20 0 EDADLP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000893027086 591259724 /nfs/dbraw/zinc/25/97/24/591259724.db2.gz RCZWEBKQKIPDFM-LSDHHAIUSA-N 2 2 342.447 1.997 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895806471 591277353 /nfs/dbraw/zinc/27/73/53/591277353.db2.gz CSYVQWCZDXXIDI-AWEZNQCLSA-N 2 2 330.363 1.671 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cc3cnn(CC4CCC4)c3)CC2)CC1 ZINC000895845595 591282507 /nfs/dbraw/zinc/28/25/07/591282507.db2.gz OEBXNIKJYNYJQM-UHFFFAOYSA-N 2 2 331.508 1.895 20 0 EDADLP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894447238 591314178 /nfs/dbraw/zinc/31/41/78/591314178.db2.gz ZWFKPIFMQMPWJT-HNNXBMFYSA-N 2 2 343.512 1.830 20 0 EDADLP CC(C)Cn1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000896004739 591321590 /nfs/dbraw/zinc/32/15/90/591321590.db2.gz MWTWCAOWAOUMCB-UHFFFAOYSA-N 2 2 347.507 1.828 20 0 EDADLP CCn1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)n1 ZINC000894474202 591321888 /nfs/dbraw/zinc/32/18/88/591321888.db2.gz FVHBVRMYPCZVJF-DFNIBXOVSA-N 2 2 331.508 1.954 20 0 EDADLP CCn1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)n1 ZINC000894474202 591321891 /nfs/dbraw/zinc/32/18/91/591321891.db2.gz FVHBVRMYPCZVJF-DFNIBXOVSA-N 2 2 331.508 1.954 20 0 EDADLP CCn1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)n1 ZINC000894474202 591321893 /nfs/dbraw/zinc/32/18/93/591321893.db2.gz FVHBVRMYPCZVJF-DFNIBXOVSA-N 2 2 331.508 1.954 20 0 EDADLP CCn1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)n1 ZINC000894474202 591321894 /nfs/dbraw/zinc/32/18/94/591321894.db2.gz FVHBVRMYPCZVJF-DFNIBXOVSA-N 2 2 331.508 1.954 20 0 EDADLP F[C@H]1CC2(CC[C@@H]1[NH+]1CCC([NH2+]C3CCOCC3)CC1)OCCO2 ZINC000896036215 591326378 /nfs/dbraw/zinc/32/63/78/591326378.db2.gz NXSFUWAUBNWWPO-IRXDYDNUSA-N 2 2 342.455 1.853 20 0 EDADLP Oc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000896029716 591326955 /nfs/dbraw/zinc/32/69/55/591326955.db2.gz CVHVXWDGFFUBCF-INIZCTEOSA-N 2 2 337.439 1.418 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898504262 591391272 /nfs/dbraw/zinc/39/12/72/591391272.db2.gz PKMKZYCNQGQYEX-NEPJUHHUSA-N 2 2 336.333 1.927 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898504262 591391277 /nfs/dbraw/zinc/39/12/77/591391277.db2.gz PKMKZYCNQGQYEX-NEPJUHHUSA-N 2 2 336.333 1.927 20 0 EDADLP COC/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866956664 591400654 /nfs/dbraw/zinc/40/06/54/591400654.db2.gz FTZAXWJGULUQBU-INHTXZAOSA-N 2 2 337.508 1.985 20 0 EDADLP COC/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866956664 591400658 /nfs/dbraw/zinc/40/06/58/591400658.db2.gz FTZAXWJGULUQBU-INHTXZAOSA-N 2 2 337.508 1.985 20 0 EDADLP COc1ccc(CCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000896326362 591428062 /nfs/dbraw/zinc/42/80/62/591428062.db2.gz YRVHFVDOWGAIAE-INIZCTEOSA-N 2 2 346.475 1.308 20 0 EDADLP COc1ccc(CCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000896326362 591428064 /nfs/dbraw/zinc/42/80/64/591428064.db2.gz YRVHFVDOWGAIAE-INIZCTEOSA-N 2 2 346.475 1.308 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000909411173 591445249 /nfs/dbraw/zinc/44/52/49/591445249.db2.gz MORLDZLLSMMYIY-LJQANCHMSA-N 2 2 344.503 1.576 20 0 EDADLP CC(C)(O)C[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000896427932 591463622 /nfs/dbraw/zinc/46/36/22/591463622.db2.gz ISIXYMZKJPMSHI-HZPDHXFCSA-N 2 2 327.538 1.391 20 0 EDADLP CC(C)(O)C[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000896427932 591463624 /nfs/dbraw/zinc/46/36/24/591463624.db2.gz ISIXYMZKJPMSHI-HZPDHXFCSA-N 2 2 327.538 1.391 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000897474508 591478196 /nfs/dbraw/zinc/47/81/96/591478196.db2.gz UPCGYHCIDWHMJY-INIZCTEOSA-N 2 2 331.464 1.393 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000897474508 591478197 /nfs/dbraw/zinc/47/81/97/591478197.db2.gz UPCGYHCIDWHMJY-INIZCTEOSA-N 2 2 331.464 1.393 20 0 EDADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)C1 ZINC000898719205 591483425 /nfs/dbraw/zinc/48/34/25/591483425.db2.gz CUQOXZPFXPUIOG-MXWKQRLJSA-N 2 2 342.237 1.892 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000897489576 591494382 /nfs/dbraw/zinc/49/43/82/591494382.db2.gz HXQDPWXUZZUKAQ-MRXNPFEDSA-N 2 2 349.479 1.112 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c[nH+]1 ZINC000897546128 591545109 /nfs/dbraw/zinc/54/51/09/591545109.db2.gz INRBVAGPMWHJAP-UHFFFAOYSA-N 2 2 330.436 1.445 20 0 EDADLP CC[C@H]1C[C@H](C[NH+]2CCN(c3nc(N)[nH+]c(C4CC4)n3)CC2)CCO1 ZINC000897574068 591563181 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20 0 EDADLP COCC1(C[NH2+]C2CC[NH+](CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000895207337 591657090 /nfs/dbraw/zinc/65/70/90/591657090.db2.gz KUHAAEQTBBLPRC-UHFFFAOYSA-N 2 2 341.496 1.992 20 0 EDADLP C[C@H]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000896980623 591700089 /nfs/dbraw/zinc/70/00/89/591700089.db2.gz NEZVTDWODQWKEX-WMLDXEAASA-N 2 2 332.448 1.403 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896987971 591705342 /nfs/dbraw/zinc/70/53/42/591705342.db2.gz HKCIOJHVEWOQDU-IAGOWNOFSA-N 3 2 336.524 1.486 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896987971 591705345 /nfs/dbraw/zinc/70/53/45/591705345.db2.gz HKCIOJHVEWOQDU-IAGOWNOFSA-N 3 2 336.524 1.486 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000896987971 591705350 /nfs/dbraw/zinc/70/53/50/591705350.db2.gz HKCIOJHVEWOQDU-IAGOWNOFSA-N 3 2 336.524 1.486 20 0 EDADLP 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/nfs/dbraw/zinc/76/08/66/591760866.db2.gz IFBCFDPMYJXZBZ-MRXNPFEDSA-N 2 2 340.431 1.534 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCc3cc(N(C)C)cc[nH+]3)[nH+]cn2)C1 ZINC000895471621 591772780 /nfs/dbraw/zinc/77/27/80/591772780.db2.gz VCZUJZMJWYTSSA-KBPBESRZSA-N 2 2 342.447 1.757 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCc3cc(N(C)C)cc[nH+]3)nc[nH+]2)C1 ZINC000895471621 591772783 /nfs/dbraw/zinc/77/27/83/591772783.db2.gz VCZUJZMJWYTSSA-KBPBESRZSA-N 2 2 342.447 1.757 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895533139 591791526 /nfs/dbraw/zinc/79/15/26/591791526.db2.gz ZNVFNYFUOOXXIB-GOSISDBHSA-N 2 2 340.427 1.268 20 0 EDADLP C/C(=C/C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900012918 591862893 /nfs/dbraw/zinc/86/28/93/591862893.db2.gz FFTNUOTZDIBTNG-BLMOFCDVSA-N 2 2 345.487 1.554 20 0 EDADLP C[N@H+](CCO)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000899736561 591925773 /nfs/dbraw/zinc/92/57/73/591925773.db2.gz KHPMBQBMYGMNJQ-INIZCTEOSA-N 2 2 348.491 1.534 20 0 EDADLP C[N@@H+](CCO)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000899736561 591925775 /nfs/dbraw/zinc/92/57/75/591925775.db2.gz KHPMBQBMYGMNJQ-INIZCTEOSA-N 2 2 348.491 1.534 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000900197734 591937734 /nfs/dbraw/zinc/93/77/34/591937734.db2.gz LDMSKWWYXBVNHV-HNNXBMFYSA-N 2 2 348.447 1.039 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000900197734 591937736 /nfs/dbraw/zinc/93/77/36/591937736.db2.gz LDMSKWWYXBVNHV-HNNXBMFYSA-N 2 2 348.447 1.039 20 0 EDADLP C/C(=C\C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900198221 591938143 /nfs/dbraw/zinc/93/81/43/591938143.db2.gz UVIHBAFNHIDPEB-IYICPGQYSA-N 2 2 337.508 1.892 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000899808197 591945181 /nfs/dbraw/zinc/94/51/81/591945181.db2.gz BXUAWTKQRUWNPR-MRXNPFEDSA-N 2 2 344.459 1.374 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000900225065 591955649 /nfs/dbraw/zinc/95/56/49/591955649.db2.gz KSFDDVFCUPBHDG-UHFFFAOYSA-N 2 2 332.448 1.616 20 0 EDADLP CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900305440 591981702 /nfs/dbraw/zinc/98/17/02/591981702.db2.gz NWJUQYHHONCZQH-ZQHZRZASSA-N 2 2 325.497 1.892 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000900339936 591989091 /nfs/dbraw/zinc/98/90/91/591989091.db2.gz UEWWXLJEBCBRNP-INIZCTEOSA-N 3 2 331.464 1.645 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000900339936 591989093 /nfs/dbraw/zinc/98/90/93/591989093.db2.gz UEWWXLJEBCBRNP-INIZCTEOSA-N 2 2 331.464 1.645 20 0 EDADLP C/C(=C\C(=O)N1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000900365792 591997912 /nfs/dbraw/zinc/99/79/12/591997912.db2.gz YDRVHDQDXCWHBF-BMRADRMJSA-N 2 2 335.492 1.742 20 0 EDADLP C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)C1([NH3+])CC1 ZINC000902459159 591999987 /nfs/dbraw/zinc/99/99/87/591999987.db2.gz XWCOCOXCGYKKRV-GMSGAONNSA-N 2 2 325.210 1.177 20 0 EDADLP C[C@H]1CN(c2cc(N3CC[C@@H](C[NH3+])[C@H](C)C3)nc[nH+]2)CC[C@@H]1C[NH3+] ZINC000900385955 592003118 /nfs/dbraw/zinc/00/31/18/592003118.db2.gz YVUXLJNVTPHJEV-SYMSYNOKSA-N 3 2 332.496 1.319 20 0 EDADLP C[C@H]1CN(c2cc(N3CC[C@@H](C[NH3+])[C@H](C)C3)[nH+]cn2)CC[C@@H]1C[NH3+] ZINC000900385955 592003120 /nfs/dbraw/zinc/00/31/20/592003120.db2.gz YVUXLJNVTPHJEV-SYMSYNOKSA-N 3 2 332.496 1.319 20 0 EDADLP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[NH2+]CCOC4)C[C@@H]3C2)cc1 ZINC000902516468 592009312 /nfs/dbraw/zinc/00/93/12/592009312.db2.gz DWNFABDUJZHEIN-ZGXWSNOMSA-N 3 2 329.488 1.865 20 0 EDADLP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4C[NH2+]CCOC4)C[C@@H]3C2)cc1 ZINC000902516468 592009315 /nfs/dbraw/zinc/00/93/15/592009315.db2.gz DWNFABDUJZHEIN-ZGXWSNOMSA-N 3 2 329.488 1.865 20 0 EDADLP O=c1[nH]ncc(N2CC[C@H]([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C2)c1Cl ZINC000902522840 592010426 /nfs/dbraw/zinc/01/04/26/592010426.db2.gz YRTXKENLDIPJEP-CIBUELKQSA-N 2 2 335.839 1.000 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000900417305 592013444 /nfs/dbraw/zinc/01/34/44/592013444.db2.gz JOILUNIOMGFRBI-HNNXBMFYSA-N 2 2 332.448 1.759 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000900417305 592013446 /nfs/dbraw/zinc/01/34/46/592013446.db2.gz JOILUNIOMGFRBI-HNNXBMFYSA-N 2 2 332.448 1.759 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)Cc3c[nH+]c[nH]3)cc2Cl)CC1 ZINC000900469908 592027615 /nfs/dbraw/zinc/02/76/15/592027615.db2.gz ZDXJECHDECHGAP-UHFFFAOYSA-N 2 2 333.823 1.996 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000900579300 592057651 /nfs/dbraw/zinc/05/76/51/592057651.db2.gz QNEWHKGPUGTZLU-UHFFFAOYSA-N 2 2 343.431 1.098 20 0 EDADLP CN(C(=O)CNc1cccc[nH+]1)C1CC[NH+](CCn2cccn2)CC1 ZINC000900644513 592087117 /nfs/dbraw/zinc/08/71/17/592087117.db2.gz SMBWEMUZIDVNHL-UHFFFAOYSA-N 2 2 342.447 1.313 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(NCc3[nH+]ccn3C)cc2)CC[N@@H+]1C ZINC000900847737 592147088 /nfs/dbraw/zinc/14/70/88/592147088.db2.gz PSMMTTOZJQNSMP-CQSZACIVSA-N 2 2 327.432 1.808 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(NCc3[nH+]ccn3C)cc2)CC[N@H+]1C ZINC000900847737 592147089 /nfs/dbraw/zinc/14/70/89/592147089.db2.gz PSMMTTOZJQNSMP-CQSZACIVSA-N 2 2 327.432 1.808 20 0 EDADLP C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903280178 592151174 /nfs/dbraw/zinc/15/11/74/592151174.db2.gz TVKLGUMILMZBOW-QAPCUYQASA-N 2 2 330.432 1.216 20 0 EDADLP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000903316035 592155545 /nfs/dbraw/zinc/15/55/45/592155545.db2.gz MCJMWODNDRUVOW-XJKSGUPXSA-N 2 2 329.510 1.263 20 0 EDADLP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000903316035 592155546 /nfs/dbraw/zinc/15/55/46/592155546.db2.gz MCJMWODNDRUVOW-XJKSGUPXSA-N 2 2 329.510 1.263 20 0 EDADLP CCCS(=O)(=O)N1CCC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000903316033 592155614 /nfs/dbraw/zinc/15/56/14/592155614.db2.gz MCJMWODNDRUVOW-CJNGLKHVSA-N 2 2 329.510 1.263 20 0 EDADLP CCCS(=O)(=O)N1CCC([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000903316033 592155615 /nfs/dbraw/zinc/15/56/15/592155615.db2.gz MCJMWODNDRUVOW-CJNGLKHVSA-N 2 2 329.510 1.263 20 0 EDADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903441835 592172580 /nfs/dbraw/zinc/17/25/80/592172580.db2.gz BZXANVXOXYRVBA-RHSMWYFYSA-N 2 2 334.439 1.522 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000903468892 592174720 /nfs/dbraw/zinc/17/47/20/592174720.db2.gz PCPHQDQYJAUDHX-CXAGYDPISA-N 2 2 347.459 1.583 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470828 592175208 /nfs/dbraw/zinc/17/52/08/592175208.db2.gz DQQHINULKZEDPN-IRXDYDNUSA-N 3 2 330.476 1.280 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1)c1ccc(=O)[nH]n1 ZINC000903478641 592176005 /nfs/dbraw/zinc/17/60/05/592176005.db2.gz HWEFKXSRRXBVCR-DTWKUNHWSA-N 2 2 338.209 1.807 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000900942533 592180215 /nfs/dbraw/zinc/18/02/15/592180215.db2.gz QIXMGXLYROTUFT-HNNXBMFYSA-N 2 2 349.500 1.676 20 0 EDADLP C[C@H]1CCN(C(=O)c2ccnn2CC[NH+](C)C)C[C@@H]1n1cc[nH+]c1 ZINC000901039734 592207625 /nfs/dbraw/zinc/20/76/25/592207625.db2.gz HSUWEYKSERBFTP-HOCLYGCPSA-N 2 2 330.436 1.365 20 0 EDADLP CC(C)c1cccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000903566602 592212567 /nfs/dbraw/zinc/21/25/67/592212567.db2.gz WDJAGAUOLFWJFV-UHFFFAOYSA-N 2 2 325.478 1.511 20 0 EDADLP CC(C)(C)CC[C@@H]([NH3+])CN1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000904333691 592232474 /nfs/dbraw/zinc/23/24/74/592232474.db2.gz DKZFDUKCHFTDCZ-OAHLLOKOSA-N 2 2 334.512 1.714 20 0 EDADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000904333691 592232477 /nfs/dbraw/zinc/23/24/77/592232477.db2.gz DKZFDUKCHFTDCZ-OAHLLOKOSA-N 3 2 334.512 1.714 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N)nn2)C1 ZINC000904342381 592234362 /nfs/dbraw/zinc/23/43/62/592234362.db2.gz GFJGKLUPKIAIDU-ZDUSSCGKSA-N 2 2 332.477 1.778 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N)nn2)C1 ZINC000904342381 592234365 /nfs/dbraw/zinc/23/43/65/592234365.db2.gz GFJGKLUPKIAIDU-ZDUSSCGKSA-N 2 2 332.477 1.778 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N)nn2)C1 ZINC000904342381 592234369 /nfs/dbraw/zinc/23/43/69/592234369.db2.gz GFJGKLUPKIAIDU-ZDUSSCGKSA-N 2 2 332.477 1.778 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N)nn2)C1 ZINC000904342381 592234371 /nfs/dbraw/zinc/23/43/71/592234371.db2.gz GFJGKLUPKIAIDU-ZDUSSCGKSA-N 2 2 332.477 1.778 20 0 EDADLP O=C(CNc1cccc[nH+]1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000901119455 592239428 /nfs/dbraw/zinc/23/94/28/592239428.db2.gz QQSNHEOQABJHPB-HOTGVXAUSA-N 2 2 332.448 1.378 20 0 EDADLP COCCN1C(=O)N[C@H]2C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)CC[C@H]21 ZINC000904372504 592240287 /nfs/dbraw/zinc/24/02/87/592240287.db2.gz CYZUSWITVQIXPA-QLFBSQMISA-N 2 2 326.485 1.255 20 0 EDADLP COCCN1C(=O)N[C@H]2C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)CC[C@H]21 ZINC000904372504 592240291 /nfs/dbraw/zinc/24/02/91/592240291.db2.gz CYZUSWITVQIXPA-QLFBSQMISA-N 2 2 326.485 1.255 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)ccc1Cl ZINC000907968365 592240584 /nfs/dbraw/zinc/24/05/84/592240584.db2.gz VPYPKSFYXOUFCP-XJKSGUPXSA-N 2 2 325.840 1.795 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)ccc1Cl ZINC000907968365 592240586 /nfs/dbraw/zinc/24/05/86/592240586.db2.gz VPYPKSFYXOUFCP-XJKSGUPXSA-N 2 2 325.840 1.795 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)[nH+]1 ZINC000906631792 592242558 /nfs/dbraw/zinc/24/25/58/592242558.db2.gz JFIPPAQZSZUDQO-UHFFFAOYSA-N 2 2 346.475 1.679 20 0 EDADLP COC(=O)c1ccc(C[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cc1C ZINC000904380583 592246491 /nfs/dbraw/zinc/24/64/91/592246491.db2.gz DVPNNTPEPWNZSZ-OAHLLOKOSA-N 2 2 329.404 1.197 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2C[NH2+]CC2(C)C)cc1OC ZINC000904462779 592260151 /nfs/dbraw/zinc/26/01/51/592260151.db2.gz SFLHNUIKEHGKDH-INIZCTEOSA-N 2 2 335.448 1.298 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000908009341 592260872 /nfs/dbraw/zinc/26/08/72/592260872.db2.gz GKRFSMHOUYTOKS-ZDUSSCGKSA-N 2 2 335.452 1.545 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000908009341 592260875 /nfs/dbraw/zinc/26/08/75/592260875.db2.gz GKRFSMHOUYTOKS-ZDUSSCGKSA-N 2 2 335.452 1.545 20 0 EDADLP Cn1cnc([C@@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)C[C@H]2[NH3+])c1 ZINC000904492521 592265649 /nfs/dbraw/zinc/26/56/49/592265649.db2.gz XVTCOCJTKSLCAC-IAGOWNOFSA-N 2 2 326.444 1.714 20 0 EDADLP Cn1cnc([C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@H]2[NH3+])c1 ZINC000904492521 592265652 /nfs/dbraw/zinc/26/56/52/592265652.db2.gz XVTCOCJTKSLCAC-IAGOWNOFSA-N 2 2 326.444 1.714 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3cn(C)nc3-c3ccncc3)C[C@H]2[NH3+])c1 ZINC000904493617 592266877 /nfs/dbraw/zinc/26/68/77/592266877.db2.gz DFGCMMFGVHPVFH-HZPDHXFCSA-N 2 2 337.431 1.142 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3ncc(C(F)(F)F)s3)C[C@H]2[NH3+])c1 ZINC000904490520 592271440 /nfs/dbraw/zinc/27/14/40/592271440.db2.gz DMRLNGYAKPBVFY-RKDXNWHRSA-N 2 2 331.367 1.822 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c2ncccc12 ZINC000903717585 592280326 /nfs/dbraw/zinc/28/03/26/592280326.db2.gz SHHLDJKFDZTGSM-WBMJQRKESA-N 2 2 329.400 1.569 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)c2ncccc12 ZINC000903717585 592280334 /nfs/dbraw/zinc/28/03/34/592280334.db2.gz SHHLDJKFDZTGSM-WBMJQRKESA-N 2 2 329.400 1.569 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c(C)o1 ZINC000903722914 592284146 /nfs/dbraw/zinc/28/41/46/592284146.db2.gz QNCAKDHCBQXFJP-LPHOPBHVSA-N 2 2 347.459 1.423 20 0 EDADLP C[C@@H](CS(C)(=O)=O)[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903729205 592287052 /nfs/dbraw/zinc/28/70/52/592287052.db2.gz KSZKQOBOWQDCDD-DZGCQCFKSA-N 2 2 330.494 1.043 20 0 EDADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903729205 592287055 /nfs/dbraw/zinc/28/70/55/592287055.db2.gz KSZKQOBOWQDCDD-DZGCQCFKSA-N 2 2 330.494 1.043 20 0 EDADLP CC(C)([NH3+])c1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000904596252 592292578 /nfs/dbraw/zinc/29/25/78/592292578.db2.gz JVQWYGLWPGBNBE-UHFFFAOYSA-N 2 2 332.448 1.867 20 0 EDADLP CCO[C@@H]1C[NH2+][C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)C1 ZINC000904614636 592295949 /nfs/dbraw/zinc/29/59/49/592295949.db2.gz GLORQNMMPVHECE-WCQYABFASA-N 2 2 326.360 1.757 20 0 EDADLP CSCC[C@H]([NH3+])Cc1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000904644722 592303022 /nfs/dbraw/zinc/30/30/22/592303022.db2.gz QVRUICPWHVXAMT-YNEHKIRRSA-N 2 2 326.466 1.618 20 0 EDADLP CSCC[C@H]([NH3+])Cc1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000904644722 592303027 /nfs/dbraw/zinc/30/30/27/592303027.db2.gz QVRUICPWHVXAMT-YNEHKIRRSA-N 2 2 326.466 1.618 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000906777332 592328434 /nfs/dbraw/zinc/32/84/34/592328434.db2.gz AGABTJAHAMQARM-UGSOOPFHSA-N 2 2 339.399 1.069 20 0 EDADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(C[C@@H]([NH3+])CC(F)F)CC2)n1 ZINC000903898725 592369560 /nfs/dbraw/zinc/36/95/60/592369560.db2.gz ODTOPELVVFTTGL-RYUDHWBXSA-N 2 2 347.410 1.267 20 0 EDADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(C[C@@H]([NH3+])CC(F)F)CC2)n1 ZINC000903898725 592369566 /nfs/dbraw/zinc/36/95/66/592369566.db2.gz ODTOPELVVFTTGL-RYUDHWBXSA-N 2 2 347.410 1.267 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000903923126 592378594 /nfs/dbraw/zinc/37/85/94/592378594.db2.gz LYBKYTDBDLKXHA-HNNXBMFYSA-N 2 2 343.435 1.046 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H]([NH3+])CC(F)F)c2)CCO1 ZINC000903924666 592379085 /nfs/dbraw/zinc/37/90/85/592379085.db2.gz GOISJZWCYLEYJE-BBRMVZONSA-N 3 2 327.419 1.979 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H]([NH3+])CC(F)F)c2)CCO1 ZINC000903924666 592379089 /nfs/dbraw/zinc/37/90/89/592379089.db2.gz GOISJZWCYLEYJE-BBRMVZONSA-N 3 2 327.419 1.979 20 0 EDADLP Cc1nn2c(C[NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)c(C)nc2s1 ZINC000903973973 592397301 /nfs/dbraw/zinc/39/73/01/592397301.db2.gz RIHNISOUTRIBPT-ZDUSSCGKSA-N 2 2 335.477 1.656 20 0 EDADLP c1cc(CN2CCC([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)CC2)ccn1 ZINC000903975298 592398782 /nfs/dbraw/zinc/39/87/82/592398782.db2.gz ZJUMNTUQOIEQRE-LJQANCHMSA-N 2 2 344.503 1.794 20 0 EDADLP CN1C(=O)CCc2cc(C[NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)ccc21 ZINC000903974949 592398878 /nfs/dbraw/zinc/39/88/78/592398878.db2.gz XJVAKYJSUVFWDQ-QGZVFWFLSA-N 2 2 343.471 1.844 20 0 EDADLP CC[C@](O)(C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C(F)(F)F ZINC000905064626 592399988 /nfs/dbraw/zinc/39/99/88/592399988.db2.gz KERYMMTYQNSPRL-HNNXBMFYSA-N 2 2 346.397 1.626 20 0 EDADLP O[C@H](C[NH2+]CC1([NH+]2CCSCC2)CCCCC1)C1(O)CCC1 ZINC000905111308 592411886 /nfs/dbraw/zinc/41/18/86/592411886.db2.gz VXWKHMIZSRQORN-OAHLLOKOSA-N 2 2 328.522 1.604 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000908316791 592430657 /nfs/dbraw/zinc/43/06/57/592430657.db2.gz RXKIFRBWJCKRMG-CQSZACIVSA-N 2 2 332.448 1.757 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000908316791 592430661 /nfs/dbraw/zinc/43/06/61/592430661.db2.gz RXKIFRBWJCKRMG-CQSZACIVSA-N 2 2 332.448 1.757 20 0 EDADLP C[C@]1(C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)CCC[NH2+]C1 ZINC000904313381 592474870 /nfs/dbraw/zinc/47/48/70/592474870.db2.gz FUJFDYIJJTZXCF-IBGZPJMESA-N 2 2 333.451 1.902 20 0 EDADLP C[C@@]1(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)CCC[NH2+]C1 ZINC000904315406 592474876 /nfs/dbraw/zinc/47/48/76/592474876.db2.gz BPMPMRYBMVPOLM-LJQANCHMSA-N 2 2 336.524 1.443 20 0 EDADLP C[C@@]1(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)CCC[NH2+]C1 ZINC000904315406 592474877 /nfs/dbraw/zinc/47/48/77/592474877.db2.gz BPMPMRYBMVPOLM-LJQANCHMSA-N 2 2 336.524 1.443 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000905261826 592481054 /nfs/dbraw/zinc/48/10/54/592481054.db2.gz SJTUVCGQVDFSAC-LULLPPNCSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000905261826 592481055 /nfs/dbraw/zinc/48/10/55/592481055.db2.gz SJTUVCGQVDFSAC-LULLPPNCSA-N 2 2 334.460 1.141 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)c1 ZINC000905305210 592499173 /nfs/dbraw/zinc/49/91/73/592499173.db2.gz SBIATHJLUXJVER-IXDOHACOSA-N 2 2 340.427 1.892 20 0 EDADLP C[NH+](C)CC1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000908533952 592527462 /nfs/dbraw/zinc/52/74/62/592527462.db2.gz QWSBMBXFJDJUHX-UHFFFAOYSA-N 2 2 327.432 1.629 20 0 EDADLP OC[C@H]1CCCN1c1cc(N[C@H]2C[NH2+]CC3(CCOCC3)C2)nc[nH+]1 ZINC000905690743 592605826 /nfs/dbraw/zinc/60/58/26/592605826.db2.gz SAQFYLPHJUWQKW-HUUCEWRRSA-N 2 2 347.463 1.008 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000905680477 592610198 /nfs/dbraw/zinc/61/01/98/592610198.db2.gz WOBZGHHPJWBCPD-KRWDZBQOSA-N 2 2 329.485 1.584 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000905680477 592610199 /nfs/dbraw/zinc/61/01/99/592610199.db2.gz WOBZGHHPJWBCPD-KRWDZBQOSA-N 2 2 329.485 1.584 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCCC[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000905681186 592610879 /nfs/dbraw/zinc/61/08/79/592610879.db2.gz LCGRLHZRMVUVLU-APWZRJJASA-N 2 2 345.491 1.798 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCCC[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000905681186 592610882 /nfs/dbraw/zinc/61/08/82/592610882.db2.gz LCGRLHZRMVUVLU-APWZRJJASA-N 2 2 345.491 1.798 20 0 EDADLP O[C@@H](C[NH2+]C[C@]12C[C@H]1COC21CCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000905685295 592612417 /nfs/dbraw/zinc/61/24/17/592612417.db2.gz FQXLOZRMVYRSFI-SLFFLAALSA-N 2 2 342.483 1.954 20 0 EDADLP O[C@@H](C[NH2+]C[C@]12C[C@H]1COC21CCC1)C[N@H+]1CCc2ccccc2C1 ZINC000905685295 592612418 /nfs/dbraw/zinc/61/24/18/592612418.db2.gz FQXLOZRMVYRSFI-SLFFLAALSA-N 2 2 342.483 1.954 20 0 EDADLP CN(C)C(=O)c1cnc(NCC[NH+]2CCC([NH3+])CC2)c(Cl)c1 ZINC000905703436 592616123 /nfs/dbraw/zinc/61/61/23/592616123.db2.gz AWVBOPUVHRHKLB-UHFFFAOYSA-N 2 2 325.844 1.272 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000907394520 592624828 /nfs/dbraw/zinc/62/48/28/592624828.db2.gz RGRFJDSAHFHRGM-BMRADRMJSA-N 2 2 325.497 1.845 20 0 EDADLP [NH3+]C1CCN(Cc2cn(Cc3[nH+]ccn3-c3ccccc3)nn2)CC1 ZINC000905806889 592646197 /nfs/dbraw/zinc/64/61/97/592646197.db2.gz HYKLCYKYSIKXMR-UHFFFAOYSA-N 2 2 337.431 1.435 20 0 EDADLP CCc1ccc([C@H](C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)[NH+](C)C)cc1 ZINC000905878925 592678670 /nfs/dbraw/zinc/67/86/70/592678670.db2.gz ZQJYNNFILBRVHD-GBESFXJTSA-N 2 2 336.476 1.344 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000907561157 592709157 /nfs/dbraw/zinc/70/91/57/592709157.db2.gz OUCWOYWNFAZUID-QGZVFWFLSA-N 2 2 347.507 1.368 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C34CC[NH+](CC3)C4)ccc2n1[C@H](C)CO ZINC000909288612 592791038 /nfs/dbraw/zinc/79/10/38/592791038.db2.gz LWJZTTFEKJRMCQ-GFCCVEGCSA-N 2 2 328.416 1.932 20 0 EDADLP [NH3+]C1CC[NH+](CCNC(=O)C(=O)NCC2CCCCCCC2)CC1 ZINC000910970855 592906118 /nfs/dbraw/zinc/90/61/18/592906118.db2.gz CVLJNPFLJCMZIG-UHFFFAOYSA-N 2 2 338.496 1.002 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000911023816 592909014 /nfs/dbraw/zinc/90/90/14/592909014.db2.gz XFDHAERRNTZMHW-HZPDHXFCSA-N 2 2 346.475 1.072 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000911023816 592909015 /nfs/dbraw/zinc/90/90/15/592909015.db2.gz XFDHAERRNTZMHW-HZPDHXFCSA-N 2 2 346.475 1.072 20 0 EDADLP O=C(Nc1c[nH+]ccc1Nc1ccccc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000911739605 592993901 /nfs/dbraw/zinc/99/39/01/592993901.db2.gz VSYBDMMMSPVKEA-MRXNPFEDSA-N 2 2 338.411 1.906 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cn1 ZINC000911843759 593022299 /nfs/dbraw/zinc/02/22/99/593022299.db2.gz NJMPZBGDPMTHLZ-DLBZAZTESA-N 2 2 346.475 1.372 20 0 EDADLP CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc2C1 ZINC000911877650 593029349 /nfs/dbraw/zinc/02/93/49/593029349.db2.gz AVWSSALKASTKOQ-TZMCWYRMSA-N 2 2 332.448 1.017 20 0 EDADLP O=C(c1c[nH+]ccc1Nc1ccccc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000911903378 593034505 /nfs/dbraw/zinc/03/45/05/593034505.db2.gz BSWYCHMAPZOOLZ-MRXNPFEDSA-N 2 2 338.411 1.138 20 0 EDADLP O=C(c1c[nH+]ccc1Nc1ccccc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000911903378 593034507 /nfs/dbraw/zinc/03/45/07/593034507.db2.gz BSWYCHMAPZOOLZ-MRXNPFEDSA-N 2 2 338.411 1.138 20 0 EDADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000912588067 593106571 /nfs/dbraw/zinc/10/65/71/593106571.db2.gz AGFULUQRSIIIDQ-CQSZACIVSA-N 2 2 334.464 1.114 20 0 EDADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000912588067 593106572 /nfs/dbraw/zinc/10/65/72/593106572.db2.gz AGFULUQRSIIIDQ-CQSZACIVSA-N 2 2 334.464 1.114 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)CC2 ZINC000912595839 593107136 /nfs/dbraw/zinc/10/71/36/593107136.db2.gz GKORJCFCVFDBOK-INIZCTEOSA-N 2 2 348.491 1.353 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CN3C[C@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086157 593154257 /nfs/dbraw/zinc/15/42/57/593154257.db2.gz KRKXPQZNLISYGA-WOJBJXKFSA-N 2 2 342.487 1.947 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CN3C[C@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086157 593154258 /nfs/dbraw/zinc/15/42/58/593154258.db2.gz KRKXPQZNLISYGA-WOJBJXKFSA-N 2 2 342.487 1.947 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CN3C[C@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086157 593154259 /nfs/dbraw/zinc/15/42/59/593154259.db2.gz KRKXPQZNLISYGA-WOJBJXKFSA-N 2 2 342.487 1.947 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CN3C[C@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086157 593154260 /nfs/dbraw/zinc/15/42/60/593154260.db2.gz KRKXPQZNLISYGA-WOJBJXKFSA-N 2 2 342.487 1.947 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000840033558 593398739 /nfs/dbraw/zinc/39/87/39/593398739.db2.gz ZRSMDDSCWBUDFL-ZSXDVEMLSA-N 2 2 347.503 1.774 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000840033558 593398742 /nfs/dbraw/zinc/39/87/42/593398742.db2.gz ZRSMDDSCWBUDFL-ZSXDVEMLSA-N 2 2 347.503 1.774 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3C[C@@H]4CCC[C@H]4C3=O)CC2)CC1 ZINC000840037818 593402836 /nfs/dbraw/zinc/40/28/36/593402836.db2.gz KZLKXUIBUMSXNK-PKOBYXMFSA-N 2 2 348.535 1.693 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811761002 593480017 /nfs/dbraw/zinc/48/00/17/593480017.db2.gz YSTIRMZZVFYJDW-VQHPVUNQSA-N 2 2 335.492 1.774 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811761002 593480018 /nfs/dbraw/zinc/48/00/18/593480018.db2.gz YSTIRMZZVFYJDW-VQHPVUNQSA-N 2 2 335.492 1.774 20 0 EDADLP CC1(C)C(=O)N(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@H]1[C@@H]1CCCO1 ZINC000811771268 593480903 /nfs/dbraw/zinc/48/09/03/593480903.db2.gz ZSXYOJWTKIQVQN-IKGGRYGDSA-N 2 2 345.443 1.908 20 0 EDADLP CC1(C)C(=O)N(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@H]1[C@@H]1CCCO1 ZINC000811771268 593480904 /nfs/dbraw/zinc/48/09/04/593480904.db2.gz ZSXYOJWTKIQVQN-IKGGRYGDSA-N 2 2 345.443 1.908 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(=O)N(C)C)cc1 ZINC000813861153 593558904 /nfs/dbraw/zinc/55/89/04/593558904.db2.gz PLUHNBRCSWWCFG-BMGDILEWSA-N 2 2 331.460 1.902 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(=O)N(C)C)cc1 ZINC000813861153 593558905 /nfs/dbraw/zinc/55/89/05/593558905.db2.gz PLUHNBRCSWWCFG-BMGDILEWSA-N 2 2 331.460 1.902 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@](C)(O)c3ccccc3)CC2)CC1 ZINC000817529244 593609758 /nfs/dbraw/zinc/60/97/58/593609758.db2.gz VKDNXBAXEHYDMV-FQEVSTJZSA-N 2 2 345.487 1.569 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815640966 593645201 /nfs/dbraw/zinc/64/52/01/593645201.db2.gz LOCHHWOUMBRADM-YJBOKZPZSA-N 2 2 328.464 1.643 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815640966 593645203 /nfs/dbraw/zinc/64/52/03/593645203.db2.gz LOCHHWOUMBRADM-YJBOKZPZSA-N 2 2 328.464 1.643 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815640964 593645275 /nfs/dbraw/zinc/64/52/75/593645275.db2.gz LOCHHWOUMBRADM-MAUKXSAKSA-N 2 2 328.464 1.643 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815640964 593645276 /nfs/dbraw/zinc/64/52/76/593645276.db2.gz LOCHHWOUMBRADM-MAUKXSAKSA-N 2 2 328.464 1.643 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896835 593646714 /nfs/dbraw/zinc/64/67/14/593646714.db2.gz WBIVZPOFFFKVCT-HONMWMINSA-N 2 2 326.824 1.732 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000818330575 593693294 /nfs/dbraw/zinc/69/32/94/593693294.db2.gz AGIWTUYXYPKLGW-GPANFISMSA-N 2 2 345.443 1.945 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccc(C[NH3+])c1 ZINC000818610611 593707627 /nfs/dbraw/zinc/70/76/27/593707627.db2.gz LEKNOFNXAIWHHF-UHFFFAOYSA-N 2 2 326.400 1.938 20 0 EDADLP CCN(CC)C(=O)C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000818975166 593731644 /nfs/dbraw/zinc/73/16/44/593731644.db2.gz JOSVSBCCEKBCSX-HNNXBMFYSA-N 2 2 332.448 1.472 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000819038825 593735135 /nfs/dbraw/zinc/73/51/35/593735135.db2.gz IYKUDGXICRGFGG-RHSMWYFYSA-N 2 2 327.469 1.336 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000819038825 593735136 /nfs/dbraw/zinc/73/51/36/593735136.db2.gz IYKUDGXICRGFGG-RHSMWYFYSA-N 2 2 327.469 1.336 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)n1C ZINC000819062550 593736824 /nfs/dbraw/zinc/73/68/24/593736824.db2.gz FPRJCUQLBTVQQI-UHFFFAOYSA-N 2 2 344.463 1.671 20 0 EDADLP Brc1cc(-c2nn[nH]n2)ccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000823820938 593868065 /nfs/dbraw/zinc/86/80/65/593868065.db2.gz MQHJXEVYPOLTFM-VXGBXAGGSA-N 2 2 349.236 1.280 20 0 EDADLP Cc1cc(F)cc2c(NC3CC[NH+](C)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822204304 594009739 /nfs/dbraw/zinc/00/97/39/594009739.db2.gz LJDXUBBARAOVRK-UHFFFAOYSA-N 2 2 341.394 1.790 20 0 EDADLP CCOCC[N@@H+]1CCN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)C[C@H]1C ZINC000821377822 594032040 /nfs/dbraw/zinc/03/20/40/594032040.db2.gz FGSGFKXHPQZIPU-CQSZACIVSA-N 2 2 345.451 1.426 20 0 EDADLP Cn1c[nH+]c2c1CCN(c1c(-c3nn[nH]n3)c[nH+]c3ccccc31)C2 ZINC000822699218 594087688 /nfs/dbraw/zinc/08/76/88/594087688.db2.gz SKGVAONJRAIRBW-UHFFFAOYSA-N 2 2 332.371 1.711 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccc3c(c2)OCO3)CC1 ZINC000824958296 594104842 /nfs/dbraw/zinc/10/48/42/594104842.db2.gz VFDUNGHWNMWWKX-UHFFFAOYSA-N 2 2 347.459 1.447 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccc3c(c2)OCO3)CC1 ZINC000824958296 594104844 /nfs/dbraw/zinc/10/48/44/594104844.db2.gz VFDUNGHWNMWWKX-UHFFFAOYSA-N 2 2 347.459 1.447 20 0 EDADLP CC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825121061 594132774 /nfs/dbraw/zinc/13/27/74/594132774.db2.gz PGUUFLGVJGKXAG-OAHLLOKOSA-N 2 2 330.436 1.192 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000825146440 594136204 /nfs/dbraw/zinc/13/62/04/594136204.db2.gz CRUKYJOMTXCZTP-GOSISDBHSA-N 2 2 345.487 1.826 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3nc(N4CC[NH2+]CC4)no3)C2)cc1 ZINC000823310498 594183681 /nfs/dbraw/zinc/18/36/81/594183681.db2.gz XGKUXJRSJRGTPX-OAHLLOKOSA-N 2 2 329.404 1.053 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3nc(N4CC[NH2+]CC4)no3)C2)cc1 ZINC000823310498 594183683 /nfs/dbraw/zinc/18/36/83/594183683.db2.gz XGKUXJRSJRGTPX-OAHLLOKOSA-N 2 2 329.404 1.053 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000827625581 594246965 /nfs/dbraw/zinc/24/69/65/594246965.db2.gz PDPMNFAIXFSHSJ-QZTJIDSGSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000827625581 594246968 /nfs/dbraw/zinc/24/69/68/594246968.db2.gz PDPMNFAIXFSHSJ-QZTJIDSGSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000827625581 594246971 /nfs/dbraw/zinc/24/69/71/594246971.db2.gz PDPMNFAIXFSHSJ-QZTJIDSGSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000827625581 594246973 /nfs/dbraw/zinc/24/69/73/594246973.db2.gz PDPMNFAIXFSHSJ-QZTJIDSGSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(N2CCNC2=O)cc1 ZINC000829758844 594256702 /nfs/dbraw/zinc/25/67/02/594256702.db2.gz QANJFWAJPDYJQP-DYVFJYSZSA-N 2 2 332.448 1.322 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(N2CCNC2=O)cc1 ZINC000829758844 594256704 /nfs/dbraw/zinc/25/67/04/594256704.db2.gz QANJFWAJPDYJQP-DYVFJYSZSA-N 2 2 332.448 1.322 20 0 EDADLP C[C@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1)c1ccccc1 ZINC000827699600 594260333 /nfs/dbraw/zinc/26/03/33/594260333.db2.gz JMSQDYGFWYWSBZ-HNNXBMFYSA-N 2 2 342.443 1.968 20 0 EDADLP CCOC(=O)[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC12COC2 ZINC000826030230 594310663 /nfs/dbraw/zinc/31/06/63/594310663.db2.gz SWJOJYUBVRGHKF-MRXNPFEDSA-N 2 2 342.399 1.279 20 0 EDADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000826507008 594508143 /nfs/dbraw/zinc/50/81/43/594508143.db2.gz HIALWWVTPGIMPN-QGZVFWFLSA-N 2 2 342.447 1.192 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000826522319 594516275 /nfs/dbraw/zinc/51/62/75/594516275.db2.gz VURUDFFSBBPFCY-GFCCVEGCSA-N 2 2 325.376 1.789 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000826522319 594516278 /nfs/dbraw/zinc/51/62/78/594516278.db2.gz VURUDFFSBBPFCY-GFCCVEGCSA-N 2 2 325.376 1.789 20 0 EDADLP c1cn(CCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c[nH+]1 ZINC000826522040 594516493 /nfs/dbraw/zinc/51/64/93/594516493.db2.gz JKFMFHCZGCRDDC-UHFFFAOYSA-N 2 2 338.419 1.276 20 0 EDADLP CCCCC[C@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000826567030 594528775 /nfs/dbraw/zinc/52/87/75/594528775.db2.gz BRFGGJKKJNZJSR-KRWDZBQOSA-N 2 2 339.524 1.994 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCCCC[NH3+])CC2)CC1 ZINC000831123006 594562455 /nfs/dbraw/zinc/56/24/55/594562455.db2.gz BJFVWDMXARJSFG-UHFFFAOYSA-N 3 2 339.528 1.363 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000829227668 594584584 /nfs/dbraw/zinc/58/45/84/594584584.db2.gz BDLKNLJTINJAQS-OAHLLOKOSA-N 2 2 332.448 1.016 20 0 EDADLP [NH3+]CCOc1cccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000832603079 594763210 /nfs/dbraw/zinc/76/32/10/594763210.db2.gz CKYBJJBATZXJTM-QGZVFWFLSA-N 2 2 333.432 1.606 20 0 EDADLP [NH3+]CCOc1cccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000832603079 594763211 /nfs/dbraw/zinc/76/32/11/594763211.db2.gz CKYBJJBATZXJTM-QGZVFWFLSA-N 2 2 333.432 1.606 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@H]1CC[N@H+](C)C1 ZINC000832742164 594773364 /nfs/dbraw/zinc/77/33/64/594773364.db2.gz BYUKQSZHJFNTKT-AWEZNQCLSA-N 2 2 347.463 1.337 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000832742164 594773365 /nfs/dbraw/zinc/77/33/65/594773365.db2.gz BYUKQSZHJFNTKT-AWEZNQCLSA-N 2 2 347.463 1.337 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1[nH+]ccn1C ZINC000841667830 594932649 /nfs/dbraw/zinc/93/26/49/594932649.db2.gz FKCNJGQEFZHZLU-XJKSGUPXSA-N 2 2 343.431 1.521 20 0 EDADLP CC[N@H+](CCC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1)CC1CC1 ZINC000867192798 594995211 /nfs/dbraw/zinc/99/52/11/594995211.db2.gz XLSBHUZEIJNBES-QGZVFWFLSA-N 2 2 334.464 1.804 20 0 EDADLP CC[N@@H+](CCC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1)CC1CC1 ZINC000867192798 594995213 /nfs/dbraw/zinc/99/52/13/594995213.db2.gz XLSBHUZEIJNBES-QGZVFWFLSA-N 2 2 334.464 1.804 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc([C@H]([NH3+])CC(F)F)n3)cn2)CC1 ZINC000843199359 595031401 /nfs/dbraw/zinc/03/14/01/595031401.db2.gz UCKMOLHGYBAALU-LLVKDONJSA-N 2 2 338.362 1.538 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845935208 595099859 /nfs/dbraw/zinc/09/98/59/595099859.db2.gz ANBWKBVVYULRQW-GPANFISMSA-N 2 2 340.512 1.515 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845935208 595099862 /nfs/dbraw/zinc/09/98/62/595099862.db2.gz ANBWKBVVYULRQW-GPANFISMSA-N 2 2 340.512 1.515 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000843492878 595129277 /nfs/dbraw/zinc/12/92/77/595129277.db2.gz YNFANCUFFBQSDG-KRWDZBQOSA-N 2 2 344.459 1.417 20 0 EDADLP CCON(C)C(=O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000846064335 595133952 /nfs/dbraw/zinc/13/39/52/595133952.db2.gz KRFVPWVRGCDVPG-UHFFFAOYSA-N 2 2 334.464 1.721 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867233649 595162806 /nfs/dbraw/zinc/16/28/06/595162806.db2.gz WSZNTUVYBZFFDZ-UXHZXRBQSA-N 2 2 331.460 1.512 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867233649 595162808 /nfs/dbraw/zinc/16/28/08/595162808.db2.gz WSZNTUVYBZFFDZ-UXHZXRBQSA-N 2 2 331.460 1.512 20 0 EDADLP CCN(OC)C(=O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000842769390 595193938 /nfs/dbraw/zinc/19/39/38/595193938.db2.gz PCRLNAVYMZYBEF-UHFFFAOYSA-N 2 2 334.464 1.721 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)c1cccc(F)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000843061204 595277051 /nfs/dbraw/zinc/27/70/51/595277051.db2.gz BYQGEEVFRUIGCK-UXHICEINSA-N 2 2 344.430 1.868 20 0 EDADLP O[C@H](C[NH2+]C[C@H](O)c1cccc(F)c1)C[N@H+]1CCc2ccccc2C1 ZINC000843061204 595277052 /nfs/dbraw/zinc/27/70/52/595277052.db2.gz BYQGEEVFRUIGCK-UXHICEINSA-N 2 2 344.430 1.868 20 0 EDADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000844169841 595289908 /nfs/dbraw/zinc/28/99/08/595289908.db2.gz CCLFDJBNWOFERO-WFASDCNBSA-N 2 2 330.436 1.528 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000844188576 595296972 /nfs/dbraw/zinc/29/69/72/595296972.db2.gz WSVKOMLMBXBWTM-OAHLLOKOSA-N 2 2 325.403 1.917 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000844188576 595296973 /nfs/dbraw/zinc/29/69/73/595296973.db2.gz WSVKOMLMBXBWTM-OAHLLOKOSA-N 2 2 325.403 1.917 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000844191591 595298543 /nfs/dbraw/zinc/29/85/43/595298543.db2.gz GSKHXZSKULDZTB-PIIMJCKOSA-N 2 2 328.460 1.303 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000844191591 595298544 /nfs/dbraw/zinc/29/85/44/595298544.db2.gz GSKHXZSKULDZTB-PIIMJCKOSA-N 2 2 328.460 1.303 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000846838128 595324988 /nfs/dbraw/zinc/32/49/88/595324988.db2.gz LZOGLZJCKHWCGF-ZIAGYGMSSA-N 2 2 338.452 1.485 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000846838128 595324991 /nfs/dbraw/zinc/32/49/91/595324991.db2.gz LZOGLZJCKHWCGF-ZIAGYGMSSA-N 2 2 338.452 1.485 20 0 EDADLP COc1ccc2c(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)cc(=O)oc2c1 ZINC000846879053 595331314 /nfs/dbraw/zinc/33/13/14/595331314.db2.gz WMNZWVDFVNXAHB-UHFFFAOYSA-N 2 2 340.383 1.847 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)NCc1ccccc1 ZINC000848526531 595402383 /nfs/dbraw/zinc/40/23/83/595402383.db2.gz AQXWGPYDGOONCF-SFHVURJKSA-N 2 2 331.460 1.536 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(Cl)n1C ZINC000848533480 595403624 /nfs/dbraw/zinc/40/36/24/595403624.db2.gz QQBLCFFVOZHGTJ-ZDUSSCGKSA-N 2 2 327.860 1.106 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(Cl)n1C ZINC000848533480 595403627 /nfs/dbraw/zinc/40/36/27/595403627.db2.gz QQBLCFFVOZHGTJ-ZDUSSCGKSA-N 2 2 327.860 1.106 20 0 EDADLP CN(C(=O)c1c(F)ccnc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485715 595431530 /nfs/dbraw/zinc/43/15/30/595431530.db2.gz QXBFAXVAZYFPEU-CYBMUJFWSA-N 2 2 338.402 1.600 20 0 EDADLP CN(C(=O)c1c(F)ccnc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485715 595431533 /nfs/dbraw/zinc/43/15/33/595431533.db2.gz QXBFAXVAZYFPEU-CYBMUJFWSA-N 2 2 338.402 1.600 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)c1C ZINC000852798300 595548031 /nfs/dbraw/zinc/54/80/31/595548031.db2.gz IZOBNRRFPVSEQA-LBPRGKRZSA-N 2 2 329.404 1.437 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110954025 595611971 /nfs/dbraw/zinc/61/19/71/595611971.db2.gz MJDGATAXBIAZLI-QGZVFWFLSA-N 2 2 334.464 1.685 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000855408421 595698886 /nfs/dbraw/zinc/69/88/86/595698886.db2.gz UODAAIJSYZIYQO-CVEARBPZSA-N 2 2 333.476 1.630 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000855408421 595698889 /nfs/dbraw/zinc/69/88/89/595698889.db2.gz UODAAIJSYZIYQO-CVEARBPZSA-N 2 2 333.476 1.630 20 0 EDADLP C=C1c2ccccc2C(=O)N1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855416332 595705481 /nfs/dbraw/zinc/70/54/81/595705481.db2.gz LBFHGAXMGCBXLB-UHFFFAOYSA-N 2 2 344.459 1.113 20 0 EDADLP C=C1c2ccccc2C(=O)N1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855416332 595705484 /nfs/dbraw/zinc/70/54/84/595705484.db2.gz LBFHGAXMGCBXLB-UHFFFAOYSA-N 2 2 344.459 1.113 20 0 EDADLP Cn1ccnc1[C@@](O)(C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858135359 595709363 /nfs/dbraw/zinc/70/93/63/595709363.db2.gz SBDKOMZRUSMKNZ-FZMZJTMJSA-N 2 2 334.386 1.632 20 0 EDADLP Cn1ccnc1[C@@](O)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858135359 595709366 /nfs/dbraw/zinc/70/93/66/595709366.db2.gz SBDKOMZRUSMKNZ-FZMZJTMJSA-N 2 2 334.386 1.632 20 0 EDADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CC[N@H+](CC)C1 ZINC000853270159 595724041 /nfs/dbraw/zinc/72/40/41/595724041.db2.gz LNDQNHLXBZGTFP-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CC[N@@H+](CC)C1 ZINC000853270159 595724043 /nfs/dbraw/zinc/72/40/43/595724043.db2.gz LNDQNHLXBZGTFP-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CC(C)(C)OC(=O)N1CCC(CC[NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000858338699 595767758 /nfs/dbraw/zinc/76/77/58/595767758.db2.gz KORXFGYUZGTUFM-INIZCTEOSA-N 2 2 341.496 1.680 20 0 EDADLP CC(C)(C)OC(=O)N1CCC(CC[NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000858338699 595767762 /nfs/dbraw/zinc/76/77/62/595767762.db2.gz KORXFGYUZGTUFM-INIZCTEOSA-N 2 2 341.496 1.680 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1[nH]cc(C)[nH+]1 ZINC000850209667 595774539 /nfs/dbraw/zinc/77/45/39/595774539.db2.gz IZOUDWSQFZZUPT-UHFFFAOYSA-N 2 2 343.431 1.726 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000853604343 595826972 /nfs/dbraw/zinc/82/69/72/595826972.db2.gz CGLYBXKZJHPXMA-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000853604343 595826973 /nfs/dbraw/zinc/82/69/73/595826973.db2.gz CGLYBXKZJHPXMA-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000853604343 595826976 /nfs/dbraw/zinc/82/69/76/595826976.db2.gz CGLYBXKZJHPXMA-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000853604343 595826978 /nfs/dbraw/zinc/82/69/78/595826978.db2.gz CGLYBXKZJHPXMA-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP NC(=[NH+]OC[C@@H]1COCCO1)c1ccccc1C[NH+]1CCCCC1 ZINC000853657817 595848208 /nfs/dbraw/zinc/84/82/08/595848208.db2.gz JSHXSZMZNKEHFI-INIZCTEOSA-N 2 2 333.432 1.934 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000118114127 595920233 /nfs/dbraw/zinc/92/02/33/595920233.db2.gz NSJVRLTYRWIONN-UHFFFAOYSA-N 2 2 344.419 1.054 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000118114127 595920236 /nfs/dbraw/zinc/92/02/36/595920236.db2.gz NSJVRLTYRWIONN-UHFFFAOYSA-N 2 2 344.419 1.054 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801359 595928806 /nfs/dbraw/zinc/92/88/06/595928806.db2.gz HUCHEUFJVDCVJW-HZPDHXFCSA-N 2 2 341.496 1.896 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801359 595928809 /nfs/dbraw/zinc/92/88/09/595928809.db2.gz HUCHEUFJVDCVJW-HZPDHXFCSA-N 2 2 341.496 1.896 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801359 595928811 /nfs/dbraw/zinc/92/88/11/595928811.db2.gz HUCHEUFJVDCVJW-HZPDHXFCSA-N 2 2 341.496 1.896 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851801359 595928814 /nfs/dbraw/zinc/92/88/14/595928814.db2.gz HUCHEUFJVDCVJW-HZPDHXFCSA-N 2 2 341.496 1.896 20 0 EDADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853965052 595936016 /nfs/dbraw/zinc/93/60/16/595936016.db2.gz CZFCHHYILTWQGF-AWEZNQCLSA-N 2 2 344.463 1.617 20 0 EDADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853965052 595936018 /nfs/dbraw/zinc/93/60/18/595936018.db2.gz CZFCHHYILTWQGF-AWEZNQCLSA-N 2 2 344.463 1.617 20 0 EDADLP C[C@@H]1C[N@H+](CC[C@@H]2COC(C)(C)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000851882736 595962029 /nfs/dbraw/zinc/96/20/29/595962029.db2.gz FJPVDECLJDBAHS-BRWVUGGUSA-N 2 2 325.497 1.486 20 0 EDADLP C[C@@H]1C[N@@H+](CC[C@@H]2COC(C)(C)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000851882736 595962031 /nfs/dbraw/zinc/96/20/31/595962031.db2.gz FJPVDECLJDBAHS-BRWVUGGUSA-N 2 2 325.497 1.486 20 0 EDADLP C[N@H+](C[C@@H](O)c1ccccn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851957173 595985624 /nfs/dbraw/zinc/98/56/24/595985624.db2.gz KUAHONIGSBJTRP-UXHICEINSA-N 2 2 341.455 1.684 20 0 EDADLP C[N@@H+](C[C@@H](O)c1ccccn1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851957173 595985629 /nfs/dbraw/zinc/98/56/29/595985629.db2.gz KUAHONIGSBJTRP-UXHICEINSA-N 2 2 341.455 1.684 20 0 EDADLP C[NH+](C[C@@H](O)c1ccccn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000851957173 595985634 /nfs/dbraw/zinc/98/56/34/595985634.db2.gz KUAHONIGSBJTRP-UXHICEINSA-N 2 2 341.455 1.684 20 0 EDADLP C[NH+](C[C@@H](O)c1ccccn1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000851957173 595985639 /nfs/dbraw/zinc/98/56/39/595985639.db2.gz KUAHONIGSBJTRP-UXHICEINSA-N 2 2 341.455 1.684 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCn2cnc(Br)n2)C1 ZINC000851991810 595999088 /nfs/dbraw/zinc/99/90/88/595999088.db2.gz VULDCKYIVUJJQB-LLVKDONJSA-N 2 2 339.241 1.654 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000851991810 595999090 /nfs/dbraw/zinc/99/90/90/595999090.db2.gz VULDCKYIVUJJQB-LLVKDONJSA-N 2 2 339.241 1.654 20 0 EDADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000854232180 596009923 /nfs/dbraw/zinc/00/99/23/596009923.db2.gz NXKHYZXIJVYTQK-ZOBUZTSGSA-N 2 2 335.448 1.610 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000852049751 596023257 /nfs/dbraw/zinc/02/32/57/596023257.db2.gz FSDOUFZBBNZGRB-KKUMJFAQSA-N 2 2 329.485 1.675 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000852049751 596023261 /nfs/dbraw/zinc/02/32/61/596023261.db2.gz FSDOUFZBBNZGRB-KKUMJFAQSA-N 2 2 329.485 1.675 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000852049751 596023266 /nfs/dbraw/zinc/02/32/66/596023266.db2.gz FSDOUFZBBNZGRB-KKUMJFAQSA-N 2 2 329.485 1.675 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000852049751 596023271 /nfs/dbraw/zinc/02/32/71/596023271.db2.gz FSDOUFZBBNZGRB-KKUMJFAQSA-N 2 2 329.485 1.675 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585896 596023713 /nfs/dbraw/zinc/02/37/13/596023713.db2.gz NANKRSNHNBJKNP-ROUUACIJSA-N 2 2 347.459 1.938 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585896 596023717 /nfs/dbraw/zinc/02/37/17/596023717.db2.gz NANKRSNHNBJKNP-ROUUACIJSA-N 2 2 347.459 1.938 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585896 596023720 /nfs/dbraw/zinc/02/37/20/596023720.db2.gz NANKRSNHNBJKNP-ROUUACIJSA-N 2 2 347.459 1.938 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585896 596023723 /nfs/dbraw/zinc/02/37/23/596023723.db2.gz NANKRSNHNBJKNP-ROUUACIJSA-N 2 2 347.459 1.938 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncnn3C)C2)ccn1 ZINC000856599664 596030200 /nfs/dbraw/zinc/03/02/00/596030200.db2.gz MVIPSPYPGDJCPN-KRWDZBQOSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncnn3C)C2)ccn1 ZINC000856599664 596030203 /nfs/dbraw/zinc/03/02/03/596030203.db2.gz MVIPSPYPGDJCPN-KRWDZBQOSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncnn3C)C2)ccn1 ZINC000856599664 596030206 /nfs/dbraw/zinc/03/02/06/596030206.db2.gz MVIPSPYPGDJCPN-KRWDZBQOSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncnn3C)C2)ccn1 ZINC000856599664 596030209 /nfs/dbraw/zinc/03/02/09/596030209.db2.gz MVIPSPYPGDJCPN-KRWDZBQOSA-N 2 2 344.463 1.704 20 0 EDADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000861576941 596034110 /nfs/dbraw/zinc/03/41/10/596034110.db2.gz XIZXIXJWZUQBBW-OLZOCXBDSA-N 2 2 340.418 1.918 20 0 EDADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000861576941 596034114 /nfs/dbraw/zinc/03/41/14/596034114.db2.gz XIZXIXJWZUQBBW-OLZOCXBDSA-N 2 2 340.418 1.918 20 0 EDADLP C[C@@H](CC(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1)n1cc[nH+]c1 ZINC000856616099 596037301 /nfs/dbraw/zinc/03/73/01/596037301.db2.gz OCJVSOGWRDTJLU-CWRNSKLLSA-N 2 2 341.415 1.211 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC000856625292 596037644 /nfs/dbraw/zinc/03/76/44/596037644.db2.gz DXWCEQCGASVPBD-QGZVFWFLSA-N 2 2 343.431 1.410 20 0 EDADLP COC(=O)N(C)CC[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000852571217 596200626 /nfs/dbraw/zinc/20/06/26/596200626.db2.gz LSOHMHPNRZJRPR-OAHLLOKOSA-N 2 2 348.447 1.644 20 0 EDADLP COC(=O)N(C)CC[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000852571217 596200629 /nfs/dbraw/zinc/20/06/29/596200629.db2.gz LSOHMHPNRZJRPR-OAHLLOKOSA-N 2 2 348.447 1.644 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000859831026 596204638 /nfs/dbraw/zinc/20/46/38/596204638.db2.gz KXACDEDTJKCTJI-INIZCTEOSA-N 2 2 328.460 1.747 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000864561920 596265316 /nfs/dbraw/zinc/26/53/16/596265316.db2.gz FDOXFBDOZGIFOI-DAFODLJHSA-N 2 2 335.473 1.281 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866613624 596268472 /nfs/dbraw/zinc/26/84/72/596268472.db2.gz IOLCZVHTWQXTNT-CQSZACIVSA-N 2 2 347.450 1.315 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866613624 596268474 /nfs/dbraw/zinc/26/84/74/596268474.db2.gz IOLCZVHTWQXTNT-CQSZACIVSA-N 2 2 347.450 1.315 20 0 EDADLP CN(CCC[N@H+](C)Cc1cn(C)nc1Br)CC[NH+](C)C ZINC000862367962 596312097 /nfs/dbraw/zinc/31/20/97/596312097.db2.gz ALBQTNDBWGPVKD-UHFFFAOYSA-N 2 2 346.317 1.498 20 0 EDADLP CN(CCC[N@@H+](C)Cc1cn(C)nc1Br)CC[NH+](C)C ZINC000862367962 596312099 /nfs/dbraw/zinc/31/20/99/596312099.db2.gz ALBQTNDBWGPVKD-UHFFFAOYSA-N 2 2 346.317 1.498 20 0 EDADLP COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000870665255 596314484 /nfs/dbraw/zinc/31/44/84/596314484.db2.gz NPUOAWSSSKFLQM-UONOGXRCSA-N 2 2 346.431 1.361 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000868872344 596333165 /nfs/dbraw/zinc/33/31/65/596333165.db2.gz AJLGEFSSPQZJOR-GNJLHFKMSA-N 2 2 343.471 1.608 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000868872344 596333169 /nfs/dbraw/zinc/33/31/69/596333169.db2.gz AJLGEFSSPQZJOR-GNJLHFKMSA-N 2 2 343.471 1.608 20 0 EDADLP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000862532107 596340158 /nfs/dbraw/zinc/34/01/58/596340158.db2.gz QBISGSUJAJRFHC-ARFHVFGLSA-N 2 2 341.496 1.821 20 0 EDADLP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000862532107 596340160 /nfs/dbraw/zinc/34/01/60/596340160.db2.gz QBISGSUJAJRFHC-ARFHVFGLSA-N 2 2 341.496 1.821 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1F ZINC000870855426 596378602 /nfs/dbraw/zinc/37/86/02/596378602.db2.gz RPRLEOFREKTCLX-WKILWMFISA-N 2 2 349.450 1.996 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000870861188 596379831 /nfs/dbraw/zinc/37/98/31/596379831.db2.gz HUXYCXVFAZVEHZ-DODZYUBVSA-N 2 2 329.444 1.304 20 0 EDADLP O=C(CC[NH2+]CC1CC1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000870863057 596381301 /nfs/dbraw/zinc/38/13/01/596381301.db2.gz MOSHPQAQKXIEAT-GOSISDBHSA-N 2 2 331.460 1.566 20 0 EDADLP C[C@H](O)c1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)[nH+]c1 ZINC000865430029 596572735 /nfs/dbraw/zinc/57/27/35/596572735.db2.gz OJJHKKIUIDSLTD-HNNXBMFYSA-N 2 2 342.447 1.549 20 0 EDADLP CC(C)C[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865437390 596574628 /nfs/dbraw/zinc/57/46/28/596574628.db2.gz KHFNACXFMFOBRI-GOSISDBHSA-N 2 2 336.476 1.894 20 0 EDADLP CCCNc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc[nH+]1 ZINC000865460291 596581972 /nfs/dbraw/zinc/58/19/72/596581972.db2.gz QIYSLDRIIJYNQL-INIZCTEOSA-N 2 2 337.493 1.918 20 0 EDADLP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000863540979 596612999 /nfs/dbraw/zinc/61/29/99/596612999.db2.gz IJLDCXVJLTXECY-AEFFLSMTSA-N 2 2 333.476 1.373 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC3(C[NH3+])CC3)C2)cc1 ZINC000867998478 596648062 /nfs/dbraw/zinc/64/80/62/596648062.db2.gz WYDXJJZUAAEGKE-KRWDZBQOSA-N 2 2 331.460 1.441 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CC3(C[NH3+])CC3)C2)cc1 ZINC000867998478 596648064 /nfs/dbraw/zinc/64/80/64/596648064.db2.gz WYDXJJZUAAEGKE-KRWDZBQOSA-N 2 2 331.460 1.441 20 0 EDADLP CCCNc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)nc[nH+]1 ZINC000865861471 596703804 /nfs/dbraw/zinc/70/38/04/596703804.db2.gz SVOWEUPXJGOPSQ-AWEZNQCLSA-N 2 2 332.452 1.089 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000868159766 596705965 /nfs/dbraw/zinc/70/59/65/596705965.db2.gz XKCJXJFJNGYDAS-PYTPGESOSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000863947989 596724656 /nfs/dbraw/zinc/72/46/56/596724656.db2.gz YYRQMEWPELUVRY-MAUKXSAKSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000863947989 596724660 /nfs/dbraw/zinc/72/46/60/596724660.db2.gz YYRQMEWPELUVRY-MAUKXSAKSA-N 2 2 326.444 1.989 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc[nH+]cc1C(F)(F)F ZINC000865965098 596740310 /nfs/dbraw/zinc/74/03/10/596740310.db2.gz KLMLYIAFRYKYMF-OAHLLOKOSA-N 2 2 345.365 1.550 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc[nH+]cc1C(F)(F)F ZINC000865965098 596740313 /nfs/dbraw/zinc/74/03/13/596740313.db2.gz KLMLYIAFRYKYMF-OAHLLOKOSA-N 2 2 345.365 1.550 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870083785 596742051 /nfs/dbraw/zinc/74/20/51/596742051.db2.gz WQSGCNKTRDSQOD-GOEBONIOSA-N 2 2 326.400 1.324 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000870124338 596761193 /nfs/dbraw/zinc/76/11/93/596761193.db2.gz YZBPLMOITOGVEV-ZWKOTPCHSA-N 2 2 345.487 1.860 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)[C@H](C)[NH+]3CCSCC3)CC[NH2+]2)cc1 ZINC000870143180 596769970 /nfs/dbraw/zinc/76/99/70/596769970.db2.gz RVWUESAPWFQPRF-WMLDXEAASA-N 2 2 349.500 1.605 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[NH2+]2)cc1 ZINC000870145059 596771572 /nfs/dbraw/zinc/77/15/72/596771572.db2.gz JRVYFZQICDEURC-KRWDZBQOSA-N 2 2 328.416 1.534 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[NH2+]2)c1 ZINC000870149866 596773998 /nfs/dbraw/zinc/77/39/98/596773998.db2.gz GRBFVKQPXAITQB-DOTOQJQBSA-N 2 2 340.427 1.627 20 0 EDADLP Cc1c(-c2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cnn1C ZINC000872149474 596812529 /nfs/dbraw/zinc/81/25/29/596812529.db2.gz OSMNIKFRLOGUKZ-ZWNOBZJWSA-N 2 2 343.353 1.953 20 0 EDADLP Cc1c(-c2cc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cnn1C ZINC000872149474 596812533 /nfs/dbraw/zinc/81/25/33/596812533.db2.gz OSMNIKFRLOGUKZ-ZWNOBZJWSA-N 2 2 343.353 1.953 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872149939 596812783 /nfs/dbraw/zinc/81/27/83/596812783.db2.gz PIYPUWPLUUHYLQ-UTLUCORTSA-N 2 2 338.374 1.068 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872149939 596812785 /nfs/dbraw/zinc/81/27/85/596812785.db2.gz PIYPUWPLUUHYLQ-UTLUCORTSA-N 2 2 338.374 1.068 20 0 EDADLP CCc1[nH+]c2ccccc2n1Cc1noc([C@]2(C)C[NH2+]CCO2)n1 ZINC000872177480 596821262 /nfs/dbraw/zinc/82/12/62/596821262.db2.gz KANCATIILYIPKY-KRWDZBQOSA-N 2 2 327.388 1.865 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CCSC1 ZINC000866333880 596859844 /nfs/dbraw/zinc/85/98/44/596859844.db2.gz OTMPQAOXNWMPJF-WFASDCNBSA-N 2 2 335.464 1.517 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)NCCCn1cc[nH+]c1 ZINC000864407832 596885504 /nfs/dbraw/zinc/88/55/04/596885504.db2.gz QEXRHHXEQUIGAP-UHFFFAOYSA-N 2 2 337.468 1.273 20 0 EDADLP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)CC2)CC1 ZINC000866449103 596888817 /nfs/dbraw/zinc/88/88/17/596888817.db2.gz RHKRPFJVYKRJER-DQPZFDDXSA-N 2 2 334.464 1.802 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=S)NCC[NH+]1CCOCC1)CC(C)C ZINC000874068757 596915746 /nfs/dbraw/zinc/91/57/46/596915746.db2.gz XSGVWIVGJQBKDR-INIZCTEOSA-N 2 2 344.569 1.539 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000874147666 596941273 /nfs/dbraw/zinc/94/12/73/596941273.db2.gz ZQAHJSPIIJUPCC-MRXNPFEDSA-N 2 2 330.432 1.171 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000874147666 596941274 /nfs/dbraw/zinc/94/12/74/596941274.db2.gz ZQAHJSPIIJUPCC-MRXNPFEDSA-N 2 2 330.432 1.171 20 0 EDADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000875863919 597015448 /nfs/dbraw/zinc/01/54/48/597015448.db2.gz LXJHDXYEYLMUNO-KRWDZBQOSA-N 2 2 334.464 1.220 20 0 EDADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000875863919 597015452 /nfs/dbraw/zinc/01/54/52/597015452.db2.gz LXJHDXYEYLMUNO-KRWDZBQOSA-N 2 2 334.464 1.220 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CCO[C@@H](C(F)F)CC1)C[NH+]1CCC2CC1 ZINC000872680488 597029393 /nfs/dbraw/zinc/02/93/93/597029393.db2.gz IFKZRBZKMQSZHS-CZUORRHYSA-N 2 2 345.390 1.217 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CCO[C@@H](C(F)F)CC1)C[NH+]1CCC2CC1 ZINC000872680488 597029399 /nfs/dbraw/zinc/02/93/99/597029399.db2.gz IFKZRBZKMQSZHS-CZUORRHYSA-N 2 2 345.390 1.217 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000874392519 597056171 /nfs/dbraw/zinc/05/61/71/597056171.db2.gz YZNXGIYJRMJPSP-JFIYKMOQSA-N 2 2 340.427 1.391 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000874432438 597075534 /nfs/dbraw/zinc/07/55/34/597075534.db2.gz YZCKQOALCXBLHY-GOSISDBHSA-N 2 2 340.512 1.504 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000874702687 597147056 /nfs/dbraw/zinc/14/70/56/597147056.db2.gz NEIDOSUKDQJSAS-VQIMIIECSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000874702687 597147058 /nfs/dbraw/zinc/14/70/58/597147058.db2.gz NEIDOSUKDQJSAS-VQIMIIECSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000874702687 597147061 /nfs/dbraw/zinc/14/70/61/597147061.db2.gz NEIDOSUKDQJSAS-VQIMIIECSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000874702687 597147063 /nfs/dbraw/zinc/14/70/63/597147063.db2.gz NEIDOSUKDQJSAS-VQIMIIECSA-N 2 2 345.487 1.660 20 0 EDADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(Cc3ccc(OC)cc3)nn2)C1 ZINC000873015797 597161414 /nfs/dbraw/zinc/16/14/14/597161414.db2.gz XQPOGHSAHDTQMB-MRXNPFEDSA-N 2 2 329.448 1.766 20 0 EDADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(Cc3ccc(OC)cc3)nn2)C1 ZINC000873015797 597161418 /nfs/dbraw/zinc/16/14/18/597161418.db2.gz XQPOGHSAHDTQMB-MRXNPFEDSA-N 2 2 329.448 1.766 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)nn2)cc1 ZINC000873060144 597175842 /nfs/dbraw/zinc/17/58/42/597175842.db2.gz GEDPJPRDFQDZDM-GOEBONIOSA-N 2 2 329.448 1.907 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)nn2)cc1 ZINC000873060144 597175845 /nfs/dbraw/zinc/17/58/45/597175845.db2.gz GEDPJPRDFQDZDM-GOEBONIOSA-N 2 2 329.448 1.907 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)[NH+]1CCOCC1 ZINC000874835731 597191469 /nfs/dbraw/zinc/19/14/69/597191469.db2.gz BBGVRZNHXWOMHC-KZNAEPCWSA-N 2 2 337.508 1.819 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)[NH+]1CCOCC1 ZINC000874835731 597191471 /nfs/dbraw/zinc/19/14/71/597191471.db2.gz BBGVRZNHXWOMHC-KZNAEPCWSA-N 2 2 337.508 1.819 20 0 EDADLP Cc1nsc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873212650 597229684 /nfs/dbraw/zinc/22/96/84/597229684.db2.gz ODHLZCTTWBUMEA-UHFFFAOYSA-N 2 2 335.502 1.876 20 0 EDADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000873275223 597244797 /nfs/dbraw/zinc/24/47/97/597244797.db2.gz CZFCXZAZICHZPV-BLLLJJGKSA-N 2 2 328.416 1.303 20 0 EDADLP c1csc([C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2nnc[nH]2)c1 ZINC000873293993 597249175 /nfs/dbraw/zinc/24/91/75/597249175.db2.gz SAHGOTBAXVRVRH-JSGCOSHPSA-N 2 2 333.461 1.704 20 0 EDADLP c1csc([C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2nnc[nH]2)c1 ZINC000873293994 597249533 /nfs/dbraw/zinc/24/95/33/597249533.db2.gz SAHGOTBAXVRVRH-OCCSQVGLSA-N 2 2 333.461 1.704 20 0 EDADLP c1csc([C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2nnc[nH]2)c1 ZINC000873293995 597249821 /nfs/dbraw/zinc/24/98/21/597249821.db2.gz SAHGOTBAXVRVRH-TZMCWYRMSA-N 2 2 333.461 1.704 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873316555 597254609 /nfs/dbraw/zinc/25/46/09/597254609.db2.gz QPQXDTSXYSKJAW-YJBOKZPZSA-N 2 2 345.447 1.633 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000875130555 597294203 /nfs/dbraw/zinc/29/42/03/597294203.db2.gz OOEIOJFYRFMWDS-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000875130555 597294206 /nfs/dbraw/zinc/29/42/06/597294206.db2.gz OOEIOJFYRFMWDS-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)[nH+]c2c1 ZINC000875134172 597296722 /nfs/dbraw/zinc/29/67/22/597296722.db2.gz ZEINPEBTBVWBOW-AWEZNQCLSA-N 2 2 345.447 1.287 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)[nH+]c2c1 ZINC000875134172 597296725 /nfs/dbraw/zinc/29/67/25/597296725.db2.gz ZEINPEBTBVWBOW-AWEZNQCLSA-N 2 2 345.447 1.287 20 0 EDADLP Cn1ncc(C[NH3+])c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000876711000 597298898 /nfs/dbraw/zinc/29/88/98/597298898.db2.gz RPTMKKLOUIIYIK-UHFFFAOYSA-N 2 2 334.449 1.574 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000876785007 597339618 /nfs/dbraw/zinc/33/96/18/597339618.db2.gz NNKMGTWUCYGJOI-KSSFIOAISA-N 2 2 348.466 1.785 20 0 EDADLP CC[C@H](C[C@H](C)O)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875295987 597373060 /nfs/dbraw/zinc/37/30/60/597373060.db2.gz YEGUZSYTNNVQHB-ZNMIVQPWSA-N 2 2 326.485 1.004 20 0 EDADLP CC[C@H](C[C@H](C)O)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875295987 597373064 /nfs/dbraw/zinc/37/30/64/597373064.db2.gz YEGUZSYTNNVQHB-ZNMIVQPWSA-N 2 2 326.485 1.004 20 0 EDADLP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000876894328 597374602 /nfs/dbraw/zinc/37/46/02/597374602.db2.gz UUTBWBFTAHKGDG-CABCVRRESA-N 2 2 349.385 1.332 20 0 EDADLP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000876894328 597374606 /nfs/dbraw/zinc/37/46/06/597374606.db2.gz UUTBWBFTAHKGDG-CABCVRRESA-N 2 2 349.385 1.332 20 0 EDADLP Cc1nccnc1[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000875429563 597425099 /nfs/dbraw/zinc/42/50/99/597425099.db2.gz PFOBUKSEMRVLBQ-AWEZNQCLSA-N 2 2 334.468 1.171 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2[NH3+])cc1 ZINC000877239005 597474830 /nfs/dbraw/zinc/47/48/30/597474830.db2.gz MWQJNDGCQRFLDB-XOKHGSTOSA-N 2 2 328.416 1.796 20 0 EDADLP CC[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CCC[NH2+]1 ZINC000877249595 597479411 /nfs/dbraw/zinc/47/94/11/597479411.db2.gz YHINECFZJRLZTM-QUCCMNQESA-N 2 2 345.487 1.844 20 0 EDADLP CC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CCC[NH2+]1 ZINC000877249595 597479412 /nfs/dbraw/zinc/47/94/12/597479412.db2.gz YHINECFZJRLZTM-QUCCMNQESA-N 2 2 345.487 1.844 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)C2)cc1 ZINC000877249943 597479428 /nfs/dbraw/zinc/47/94/28/597479428.db2.gz ZFLGDDGODXBBGW-SQNIBIBYSA-N 2 2 345.487 1.685 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)C2)cc1 ZINC000877249943 597479429 /nfs/dbraw/zinc/47/94/29/597479429.db2.gz ZFLGDDGODXBBGW-SQNIBIBYSA-N 2 2 345.487 1.685 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)[nH+]c12 ZINC000877359579 597501060 /nfs/dbraw/zinc/50/10/60/597501060.db2.gz IVAVOFBZRGAEEZ-AAEUAGOBSA-N 2 2 340.349 1.781 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000877434201 597515079 /nfs/dbraw/zinc/51/50/79/597515079.db2.gz PERWACSRCDNHCF-SJORKVTESA-N 2 2 333.476 1.940 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000877434201 597515080 /nfs/dbraw/zinc/51/50/80/597515080.db2.gz PERWACSRCDNHCF-SJORKVTESA-N 2 2 333.476 1.940 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)co2)CC1 ZINC000877699348 597548824 /nfs/dbraw/zinc/54/88/24/597548824.db2.gz HLNUVQHDKQCNQM-UHFFFAOYSA-N 2 2 338.404 1.573 20 0 EDADLP C[NH+](C)Cc1cnc(CN2CC[NH+](CCc3cnccn3)CC2)s1 ZINC000877704025 597548909 /nfs/dbraw/zinc/54/89/09/597548909.db2.gz WYPOCSGURLYXSQ-UHFFFAOYSA-N 2 2 346.504 1.355 20 0 EDADLP Cc1cccc2ncc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)n21 ZINC000877747567 597552871 /nfs/dbraw/zinc/55/28/71/597552871.db2.gz RAYLXNGGXZZDDC-UHFFFAOYSA-N 2 2 327.476 1.855 20 0 EDADLP O[C@@]1(C[NH+]2CCC(c3nnc[nH]3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000878177518 597584636 /nfs/dbraw/zinc/58/46/36/597584636.db2.gz ZDGXRDUPAMUWJB-LJQANCHMSA-N 2 2 341.459 1.621 20 0 EDADLP O[C@@]1(C[NH+]2CCC(c3nnc[nH]3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000878177518 597584637 /nfs/dbraw/zinc/58/46/37/597584637.db2.gz ZDGXRDUPAMUWJB-LJQANCHMSA-N 2 2 341.459 1.621 20 0 EDADLP C[C@H](ONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncccn1 ZINC000882987433 597608738 /nfs/dbraw/zinc/60/87/38/597608738.db2.gz FMEVKCQMCPYCBR-HOCLYGCPSA-N 2 2 341.415 1.937 20 0 EDADLP C[C@H](ONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncccn1 ZINC000882987433 597608740 /nfs/dbraw/zinc/60/87/40/597608740.db2.gz FMEVKCQMCPYCBR-HOCLYGCPSA-N 2 2 341.415 1.937 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000883181900 597678839 /nfs/dbraw/zinc/67/88/39/597678839.db2.gz NIRBORHDYQEXFC-UHFFFAOYSA-N 2 2 342.447 1.811 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000883181900 597678841 /nfs/dbraw/zinc/67/88/41/597678841.db2.gz NIRBORHDYQEXFC-UHFFFAOYSA-N 2 2 342.447 1.811 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC000883180828 597679157 /nfs/dbraw/zinc/67/91/57/597679157.db2.gz MDNPLQJZEXWTEE-LJQANCHMSA-N 2 2 349.450 1.657 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879756474 597712212 /nfs/dbraw/zinc/71/22/12/597712212.db2.gz WNAPOEISFZBART-ARFHVFGLSA-N 2 2 341.496 1.773 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879756474 597712214 /nfs/dbraw/zinc/71/22/14/597712214.db2.gz WNAPOEISFZBART-ARFHVFGLSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879756474 597712216 /nfs/dbraw/zinc/71/22/16/597712216.db2.gz WNAPOEISFZBART-ARFHVFGLSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879756474 597712218 /nfs/dbraw/zinc/71/22/18/597712218.db2.gz WNAPOEISFZBART-ARFHVFGLSA-N 2 2 341.496 1.773 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(C)CC(F)(F)C3)C2)CC1 ZINC000883417374 597739238 /nfs/dbraw/zinc/73/92/38/597739238.db2.gz YEPOPOMFLWSHCP-ZDUSSCGKSA-N 2 2 344.450 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(C)CC(F)(F)C3)C2)CC1 ZINC000883417374 597739240 /nfs/dbraw/zinc/73/92/40/597739240.db2.gz YEPOPOMFLWSHCP-ZDUSSCGKSA-N 2 2 344.450 1.890 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880133350 597850598 /nfs/dbraw/zinc/85/05/98/597850598.db2.gz SUJPAHKLKRXFBH-NZSAHSFTSA-N 2 2 334.460 1.741 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880133350 597850601 /nfs/dbraw/zinc/85/06/01/597850601.db2.gz SUJPAHKLKRXFBH-NZSAHSFTSA-N 2 2 334.460 1.741 20 0 EDADLP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880133350 597850603 /nfs/dbraw/zinc/85/06/03/597850603.db2.gz SUJPAHKLKRXFBH-NZSAHSFTSA-N 2 2 334.460 1.741 20 0 EDADLP COc1cccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880133350 597850606 /nfs/dbraw/zinc/85/06/06/597850606.db2.gz SUJPAHKLKRXFBH-NZSAHSFTSA-N 2 2 334.460 1.741 20 0 EDADLP O=C1NCC[C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@H]12 ZINC000880527702 597955987 /nfs/dbraw/zinc/95/59/87/597955987.db2.gz UBKALHXCXRDPRC-MOPGFXCFSA-N 2 2 343.471 1.619 20 0 EDADLP O=C1NCC[C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@H]12 ZINC000880527702 597955988 /nfs/dbraw/zinc/95/59/88/597955988.db2.gz UBKALHXCXRDPRC-MOPGFXCFSA-N 2 2 343.471 1.619 20 0 EDADLP CN1CC(=O)N(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1=O ZINC000880568592 597966614 /nfs/dbraw/zinc/96/66/14/597966614.db2.gz BCEQXOYQLBFSMP-OAHLLOKOSA-N 2 2 327.388 1.108 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnon3)[C@@H]2C1 ZINC000992667308 695185439 /nfs/dbraw/zinc/18/54/39/695185439.db2.gz LCAPUBRFIJKNLA-CFVMTHIKSA-N 2 2 344.419 1.142 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4CCC[C@@H]([NH2+]CCO)[C@@H]4C3)ccn12 ZINC000992695006 695216499 /nfs/dbraw/zinc/21/64/99/695216499.db2.gz SUPVFKFBSHAQCR-GVDBMIGSSA-N 2 2 342.443 1.465 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC000992733694 695248643 /nfs/dbraw/zinc/24/86/43/695248643.db2.gz YSJPHIDVNOUNDL-NUEKZKHPSA-N 2 2 335.423 1.819 20 0 EDADLP Cn1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)n1 ZINC000992854073 695409552 /nfs/dbraw/zinc/40/95/52/695409552.db2.gz GNWUIBGLKKWVPY-CWRNSKLLSA-N 2 2 342.447 1.103 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nccs3)[C@@H]2C1 ZINC000992856670 695416971 /nfs/dbraw/zinc/41/69/71/695416971.db2.gz JODFJZRKGBZVFC-MJBXVCDLSA-N 2 2 345.472 1.826 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939855343 699993398 /nfs/dbraw/zinc/99/33/98/699993398.db2.gz DUSCYHNQEORCKW-XHDPSFHLSA-N 2 2 333.461 1.593 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000939855726 699994049 /nfs/dbraw/zinc/99/40/49/699994049.db2.gz GUSTWTASLKEDNW-RDJZCZTQSA-N 2 2 341.459 1.586 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001031260039 696067281 /nfs/dbraw/zinc/06/72/81/696067281.db2.gz KAIGVNBPNIZNNP-HNNXBMFYSA-N 2 2 343.471 1.402 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001031260039 696067284 /nfs/dbraw/zinc/06/72/84/696067284.db2.gz KAIGVNBPNIZNNP-HNNXBMFYSA-N 2 2 343.471 1.402 20 0 EDADLP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccon1 ZINC000993927384 696446915 /nfs/dbraw/zinc/44/69/15/696446915.db2.gz LWSSPKVJZFZGNI-RHSMWYFYSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccon1 ZINC000993927384 696446917 /nfs/dbraw/zinc/44/69/17/696446917.db2.gz LWSSPKVJZFZGNI-RHSMWYFYSA-N 2 2 334.464 1.876 20 0 EDADLP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)oc1C ZINC000994250748 696643676 /nfs/dbraw/zinc/64/36/76/696643676.db2.gz IYEMXNYIORMELA-ZBFHGGJFSA-N 2 2 346.475 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)oc1C ZINC000994250748 696643678 /nfs/dbraw/zinc/64/36/78/696643678.db2.gz IYEMXNYIORMELA-ZBFHGGJFSA-N 2 2 346.475 1.856 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCc2ccnn2C)[C@@H]1C ZINC000994298668 696734955 /nfs/dbraw/zinc/73/49/55/696734955.db2.gz OZSQEUAMGKKXPX-ZBFHGGJFSA-N 2 2 344.463 1.206 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccnn2C)[C@@H]1C ZINC000994298668 696734956 /nfs/dbraw/zinc/73/49/56/696734956.db2.gz OZSQEUAMGKKXPX-ZBFHGGJFSA-N 2 2 344.463 1.206 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC000994417145 696833029 /nfs/dbraw/zinc/83/30/29/696833029.db2.gz CHBBFARFBWEEOR-CXAGYDPISA-N 2 2 345.422 1.895 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC000994417145 696833034 /nfs/dbraw/zinc/83/30/34/696833034.db2.gz CHBBFARFBWEEOR-CXAGYDPISA-N 2 2 345.422 1.895 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)o1 ZINC000994412470 696838176 /nfs/dbraw/zinc/83/81/76/696838176.db2.gz VPKOMOKBVAMCMA-GOEBONIOSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)o1 ZINC000994412470 696838179 /nfs/dbraw/zinc/83/81/79/696838179.db2.gz VPKOMOKBVAMCMA-GOEBONIOSA-N 2 2 334.464 1.856 20 0 EDADLP COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994412497 696838586 /nfs/dbraw/zinc/83/85/86/696838586.db2.gz VSYMBVGHJIKPFD-WBVHZDCISA-N 2 2 346.475 1.655 20 0 EDADLP COc1cccc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994412497 696838589 /nfs/dbraw/zinc/83/85/89/696838589.db2.gz VSYMBVGHJIKPFD-WBVHZDCISA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)ccn1 ZINC000994510151 696954126 /nfs/dbraw/zinc/95/41/26/696954126.db2.gz SGRKRFIUWCHPCQ-ZBFHGGJFSA-N 2 2 343.431 1.456 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)ccn1 ZINC000994510151 696954128 /nfs/dbraw/zinc/95/41/28/696954128.db2.gz SGRKRFIUWCHPCQ-ZBFHGGJFSA-N 2 2 343.431 1.456 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCC1CCOCC1 ZINC000994513298 696959455 /nfs/dbraw/zinc/95/94/55/696959455.db2.gz ZWVJSAVLTBHXEO-NVXWUHKLSA-N 2 2 334.464 1.669 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCC1CCOCC1 ZINC000994513298 696959458 /nfs/dbraw/zinc/95/94/58/696959458.db2.gz ZWVJSAVLTBHXEO-NVXWUHKLSA-N 2 2 334.464 1.669 20 0 EDADLP O=C(C[NH+]1CCCC1)NC1C[NH+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001031390769 697015297 /nfs/dbraw/zinc/01/52/97/697015297.db2.gz SFCBOKFYBWLREH-WMZOPIPTSA-N 2 2 349.425 1.932 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031577723 697274018 /nfs/dbraw/zinc/27/40/18/697274018.db2.gz OZCHIFYHIGSVMA-PBHICJAKSA-N 2 2 344.459 1.156 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031577723 697274020 /nfs/dbraw/zinc/27/40/20/697274020.db2.gz OZCHIFYHIGSVMA-PBHICJAKSA-N 2 2 344.459 1.156 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000919726497 697324088 /nfs/dbraw/zinc/32/40/88/697324088.db2.gz LXTFVPBWNAZJOK-IAGOWNOFSA-N 2 2 340.512 1.326 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000919726497 697324090 /nfs/dbraw/zinc/32/40/90/697324090.db2.gz LXTFVPBWNAZJOK-IAGOWNOFSA-N 2 2 340.512 1.326 20 0 EDADLP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)cn1 ZINC000943174056 697866062 /nfs/dbraw/zinc/86/60/62/697866062.db2.gz ATIJPFUHPLUDKI-PBHICJAKSA-N 2 2 344.463 1.238 20 0 EDADLP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)cn1 ZINC000943174056 697866067 /nfs/dbraw/zinc/86/60/67/697866067.db2.gz ATIJPFUHPLUDKI-PBHICJAKSA-N 2 2 344.463 1.238 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)o1 ZINC000943177754 697873715 /nfs/dbraw/zinc/87/37/15/697873715.db2.gz PMMLNFXNQHNFRM-DOMZBBRYSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)o1 ZINC000943177754 697873720 /nfs/dbraw/zinc/87/37/20/697873720.db2.gz PMMLNFXNQHNFRM-DOMZBBRYSA-N 2 2 345.447 1.838 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC001031729305 698050852 /nfs/dbraw/zinc/05/08/52/698050852.db2.gz JOBFPPFWAVRUNB-INIZCTEOSA-N 2 2 334.464 1.509 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC001031729305 698050858 /nfs/dbraw/zinc/05/08/58/698050858.db2.gz JOBFPPFWAVRUNB-INIZCTEOSA-N 2 2 334.464 1.509 20 0 EDADLP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001031744654 698345270 /nfs/dbraw/zinc/34/52/70/698345270.db2.gz MMELZKCSWLBURH-JFIYKMOQSA-N 2 2 346.475 1.766 20 0 EDADLP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001031744654 698345274 /nfs/dbraw/zinc/34/52/74/698345274.db2.gz MMELZKCSWLBURH-JFIYKMOQSA-N 2 2 346.475 1.766 20 0 EDADLP Cc1cncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)c1 ZINC000943767172 698823400 /nfs/dbraw/zinc/82/34/00/698823400.db2.gz RQCUTMCELGKWGJ-GOEBONIOSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1cncc(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)c1 ZINC000943767172 698823405 /nfs/dbraw/zinc/82/34/05/698823405.db2.gz RQCUTMCELGKWGJ-GOEBONIOSA-N 2 2 327.432 1.682 20 0 EDADLP Cn1nccc1C[NH+]1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032114652 698961485 /nfs/dbraw/zinc/96/14/85/698961485.db2.gz HWEOTLRDNAHZSY-UHFFFAOYSA-N 2 2 345.491 1.090 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995153844 701554815 /nfs/dbraw/zinc/55/48/15/701554815.db2.gz QOJKDQAXRAWOSU-GJZGRUSLSA-N 2 2 327.432 1.730 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154234 701556235 /nfs/dbraw/zinc/55/62/35/701556235.db2.gz RPZYUBYATMTQRW-ZFWWWQNUSA-N 2 2 330.436 1.069 20 0 EDADLP CC(C)=CC[NH+]1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000941509805 701558876 /nfs/dbraw/zinc/55/88/76/701558876.db2.gz XYNHGNBAZMZRDY-UHFFFAOYSA-N 2 2 331.464 1.068 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000995156121 701559677 /nfs/dbraw/zinc/55/96/77/701559677.db2.gz VVPHJMOSCHVFPN-SJORKVTESA-N 2 2 342.443 1.519 20 0 EDADLP COc1ccnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000995157434 701564697 /nfs/dbraw/zinc/56/46/97/701564697.db2.gz YKUQCODOZOBQLZ-KGLIPLIRSA-N 2 2 343.431 1.431 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001031782783 699204619 /nfs/dbraw/zinc/20/46/19/699204619.db2.gz LVTNKCFVAAIMPD-WBVHZDCISA-N 2 2 346.475 1.310 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)oc1C ZINC000939128818 699207946 /nfs/dbraw/zinc/20/79/46/699207946.db2.gz QJFCZLUPKKLMTH-XJKSGUPXSA-N 2 2 348.491 1.960 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C)oc1C ZINC000939128818 699207948 /nfs/dbraw/zinc/20/79/48/699207948.db2.gz QJFCZLUPKKLMTH-XJKSGUPXSA-N 2 2 348.491 1.960 20 0 EDADLP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784460 699216933 /nfs/dbraw/zinc/21/69/33/699216933.db2.gz SDQTZHSGWBNEKN-HNNXBMFYSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1c(C(=O)NCC2C[NH+](Cc3cnn(C)c3)C2)ccc2c[nH+]cn21 ZINC001031800338 699316907 /nfs/dbraw/zinc/31/69/07/699316907.db2.gz LWUUXGCCCJPCEG-UHFFFAOYSA-N 2 2 338.415 1.238 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941563952 701584294 /nfs/dbraw/zinc/58/42/94/701584294.db2.gz QSKKJVBDQKRDHA-MRXNPFEDSA-N 2 2 345.491 1.458 20 0 EDADLP COCc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)c1 ZINC000939211646 699360174 /nfs/dbraw/zinc/36/01/74/699360174.db2.gz UHXKIWMVEAZFJV-KSSFIOAISA-N 2 2 342.443 1.735 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)s1 ZINC000939212006 699361003 /nfs/dbraw/zinc/36/10/03/699361003.db2.gz WDURKEVABJMKBH-YGRLFVJLSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)c(C)n1 ZINC000939213021 699361909 /nfs/dbraw/zinc/36/19/09/699361909.db2.gz ANHMRHLSBBTYGV-SJKOYZFVSA-N 2 2 327.432 1.601 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939402097 699551164 /nfs/dbraw/zinc/55/11/64/699551164.db2.gz XJYXNBPYKKDXPX-BXUZGUMPSA-N 2 2 331.420 1.448 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939409148 699563350 /nfs/dbraw/zinc/56/33/50/699563350.db2.gz SFGLEHPIYFZQDB-ABAIWWIYSA-N 2 2 334.370 1.867 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939533724 699671831 /nfs/dbraw/zinc/67/18/31/699671831.db2.gz DTUGFQDOADFVCC-ZBEGNZNMSA-N 2 2 347.488 1.673 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939538975 699679739 /nfs/dbraw/zinc/67/97/39/699679739.db2.gz AAOKADXZSARTSC-IUODEOHRSA-N 2 2 345.422 1.858 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939621529 699758030 /nfs/dbraw/zinc/75/80/30/699758030.db2.gz AXSHDYFLYJOGMT-MGPLVRAMSA-N 2 2 347.488 1.971 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC000939624616 699762095 /nfs/dbraw/zinc/76/20/95/699762095.db2.gz YADXEQFPPCSWQD-XIKOKIGWSA-N 2 2 341.459 1.909 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cc(C3CC3)no2)[C@@H](C)C1 ZINC000939624407 699762149 /nfs/dbraw/zinc/76/21/49/699762149.db2.gz XVLWEBZVCLQHBL-GTNSWQLSSA-N 2 2 343.431 1.763 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000939627724 699765246 /nfs/dbraw/zinc/76/52/46/699765246.db2.gz VERPVXXJAMAACI-QMTHXVAHSA-N 2 2 326.391 1.742 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939642163 699771595 /nfs/dbraw/zinc/77/15/95/699771595.db2.gz IGHDHYFJXCLXQE-BXUZGUMPSA-N 2 2 348.476 1.149 20 0 EDADLP Cc1cncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000995165573 701612151 /nfs/dbraw/zinc/61/21/51/701612151.db2.gz FOKYGRBZILYACZ-RDJZCZTQSA-N 2 2 341.459 1.741 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](Cc4ccsc4)C3)CC2)C1 ZINC000941666170 701620797 /nfs/dbraw/zinc/62/07/97/701620797.db2.gz OYRPSZPFQBPMTQ-INIZCTEOSA-N 2 2 348.516 1.028 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](Cc4ccsc4)C3)CC2)C1 ZINC000941666170 701620799 /nfs/dbraw/zinc/62/07/99/701620799.db2.gz OYRPSZPFQBPMTQ-INIZCTEOSA-N 2 2 348.516 1.028 20 0 EDADLP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144617 700274213 /nfs/dbraw/zinc/27/42/13/700274213.db2.gz LSZUEXXUOPSSEE-UHFFFAOYSA-N 2 2 345.451 1.125 20 0 EDADLP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940144617 700274218 /nfs/dbraw/zinc/27/42/18/700274218.db2.gz LSZUEXXUOPSSEE-UHFFFAOYSA-N 2 2 345.451 1.125 20 0 EDADLP CC1([NH2+]Cc2ccccn2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940145464 700275499 /nfs/dbraw/zinc/27/54/99/700275499.db2.gz WZWIMJZGTBEYFW-UHFFFAOYSA-N 2 2 327.432 1.908 20 0 EDADLP CC1([NH2+]Cc2ccccn2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940145464 700275502 /nfs/dbraw/zinc/27/55/02/700275502.db2.gz WZWIMJZGTBEYFW-UHFFFAOYSA-N 2 2 327.432 1.908 20 0 EDADLP CC(C)c1noc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000940356377 700518084 /nfs/dbraw/zinc/51/80/84/700518084.db2.gz PHSDBGYIBILGOG-UHFFFAOYSA-N 2 2 346.435 1.630 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]cn3C)CC2)on1 ZINC000940445883 700648046 /nfs/dbraw/zinc/64/80/46/700648046.db2.gz VXBPGCZWGKAJGP-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621892 700783442 /nfs/dbraw/zinc/78/34/42/700783442.db2.gz WWTOBSBYSMLWDJ-HZPDHXFCSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621892 700783443 /nfs/dbraw/zinc/78/34/43/700783443.db2.gz WWTOBSBYSMLWDJ-HZPDHXFCSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621892 700783444 /nfs/dbraw/zinc/78/34/44/700783444.db2.gz WWTOBSBYSMLWDJ-HZPDHXFCSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621892 700783445 /nfs/dbraw/zinc/78/34/45/700783445.db2.gz WWTOBSBYSMLWDJ-HZPDHXFCSA-N 2 2 347.507 1.714 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)cn1 ZINC000940624608 700786308 /nfs/dbraw/zinc/78/63/08/700786308.db2.gz IKEMVQJMZFIPLI-IRXDYDNUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)cn1 ZINC000940624608 700786310 /nfs/dbraw/zinc/78/63/10/700786310.db2.gz IKEMVQJMZFIPLI-IRXDYDNUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940624608 700786311 /nfs/dbraw/zinc/78/63/11/700786311.db2.gz IKEMVQJMZFIPLI-IRXDYDNUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940624608 700786313 /nfs/dbraw/zinc/78/63/13/700786313.db2.gz IKEMVQJMZFIPLI-IRXDYDNUSA-N 2 2 345.491 1.596 20 0 EDADLP CCn1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nn1 ZINC000940625156 700786637 /nfs/dbraw/zinc/78/66/37/700786637.db2.gz OUZQKSYBNVGFDO-CVEARBPZSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nn1 ZINC000940625156 700786638 /nfs/dbraw/zinc/78/66/38/700786638.db2.gz OUZQKSYBNVGFDO-CVEARBPZSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)nn1 ZINC000940625156 700786639 /nfs/dbraw/zinc/78/66/39/700786639.db2.gz OUZQKSYBNVGFDO-CVEARBPZSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)nn1 ZINC000940625156 700786640 /nfs/dbraw/zinc/78/66/40/700786640.db2.gz OUZQKSYBNVGFDO-CVEARBPZSA-N 2 2 348.495 1.109 20 0 EDADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940840041 700936477 /nfs/dbraw/zinc/93/64/77/700936477.db2.gz RTENXNDCNDDCJO-ABAIWWIYSA-N 2 2 343.431 1.267 20 0 EDADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC000940840041 700936478 /nfs/dbraw/zinc/93/64/78/700936478.db2.gz RTENXNDCNDDCJO-ABAIWWIYSA-N 2 2 343.431 1.267 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850970 700951932 /nfs/dbraw/zinc/95/19/32/700951932.db2.gz QZOPOHTVBFDNMD-GJZGRUSLSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850970 700951933 /nfs/dbraw/zinc/95/19/33/700951933.db2.gz QZOPOHTVBFDNMD-GJZGRUSLSA-N 2 2 334.464 1.309 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3F)C2)C1 ZINC001031920027 701054910 /nfs/dbraw/zinc/05/49/10/701054910.db2.gz PKRHIFRGTQHWDV-GOSISDBHSA-N 2 2 349.450 1.483 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3F)C2)C1 ZINC001031920027 701054911 /nfs/dbraw/zinc/05/49/11/701054911.db2.gz PKRHIFRGTQHWDV-GOSISDBHSA-N 2 2 349.450 1.483 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)ccn1 ZINC000945807724 701198739 /nfs/dbraw/zinc/19/87/39/701198739.db2.gz LEARVUQQKZKNNY-HOCLYGCPSA-N 2 2 343.431 1.314 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)ccn1 ZINC000945807724 701198740 /nfs/dbraw/zinc/19/87/40/701198740.db2.gz LEARVUQQKZKNNY-HOCLYGCPSA-N 2 2 343.431 1.314 20 0 EDADLP CC1(C)C[N@H+](Cc2nccs2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941165990 701377072 /nfs/dbraw/zinc/37/70/72/701377072.db2.gz CMCLVYKGLHMTDW-AWEZNQCLSA-N 2 2 348.516 1.956 20 0 EDADLP CC1(C)C[N@@H+](Cc2nccs2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941165990 701377073 /nfs/dbraw/zinc/37/70/73/701377073.db2.gz CMCLVYKGLHMTDW-AWEZNQCLSA-N 2 2 348.516 1.956 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](Cc3ccsc3)C2)CC1 ZINC000941344652 701480654 /nfs/dbraw/zinc/48/06/54/701480654.db2.gz ITSBISIKPPBSEN-KRWDZBQOSA-N 2 2 348.516 1.171 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](Cc3ccsc3)C2)CC1 ZINC000941344652 701480656 /nfs/dbraw/zinc/48/06/56/701480656.db2.gz ITSBISIKPPBSEN-KRWDZBQOSA-N 2 2 348.516 1.171 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000995148858 701539388 /nfs/dbraw/zinc/53/93/88/701539388.db2.gz BUIJVRXESBGPSG-UONOGXRCSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)on1 ZINC001032132016 701859046 /nfs/dbraw/zinc/85/90/46/701859046.db2.gz FFXNSWLMEALQNZ-UHFFFAOYSA-N 2 2 329.404 1.306 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)ncn1 ZINC001032133682 701889068 /nfs/dbraw/zinc/88/90/68/701889068.db2.gz JXKXHQMWRUOJBQ-UHFFFAOYSA-N 2 2 340.431 1.108 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC000995180116 701944010 /nfs/dbraw/zinc/94/40/10/701944010.db2.gz DJVLLJYRANLFDR-UONOGXRCSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@H]1C ZINC000944445500 702033755 /nfs/dbraw/zinc/03/37/55/702033755.db2.gz PDXPSABAVFMRKG-CJNGLKHVSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)C[C@H]1C ZINC000944445500 702033759 /nfs/dbraw/zinc/03/37/59/702033759.db2.gz PDXPSABAVFMRKG-CJNGLKHVSA-N 2 2 344.463 1.063 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031977801 702036971 /nfs/dbraw/zinc/03/69/71/702036971.db2.gz IRAYWUYNEZVWKZ-WFASDCNBSA-N 2 2 336.867 1.481 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031977801 702036976 /nfs/dbraw/zinc/03/69/76/702036976.db2.gz IRAYWUYNEZVWKZ-WFASDCNBSA-N 2 2 336.867 1.481 20 0 EDADLP Cc1oncc1C[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001032206428 702056052 /nfs/dbraw/zinc/05/60/52/702056052.db2.gz BDGYZXTXERIMEQ-UHFFFAOYSA-N 2 2 342.443 1.906 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001032206163 702132034 /nfs/dbraw/zinc/13/20/34/702132034.db2.gz SXRSHFMQSYTCOH-PBHICJAKSA-N 2 2 331.464 1.460 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001032206163 702132038 /nfs/dbraw/zinc/13/20/38/702132038.db2.gz SXRSHFMQSYTCOH-PBHICJAKSA-N 2 2 331.464 1.460 20 0 EDADLP CC[C@H]([NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C)C(N)=O ZINC000995985778 702347083 /nfs/dbraw/zinc/34/70/83/702347083.db2.gz XHIHGVCZROXNGT-WFASDCNBSA-N 2 2 343.431 1.267 20 0 EDADLP CCc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)no1 ZINC000995193683 702369473 /nfs/dbraw/zinc/36/94/73/702369473.db2.gz FDAACZLFFVKPQT-KGLIPLIRSA-N 2 2 346.435 1.212 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cscn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171101 702415897 /nfs/dbraw/zinc/41/58/97/702415897.db2.gz WHJZIDIHZJQQRO-HIFRSBDPSA-N 2 2 334.489 1.566 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cscn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171101 702415904 /nfs/dbraw/zinc/41/59/04/702415904.db2.gz WHJZIDIHZJQQRO-HIFRSBDPSA-N 2 2 334.489 1.566 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)cn1 ZINC000944152768 702439147 /nfs/dbraw/zinc/43/91/47/702439147.db2.gz DDUJBQNTSNADBC-SUMWQHHRSA-N 2 2 342.447 1.088 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)cn1 ZINC000944152768 702439148 /nfs/dbraw/zinc/43/91/48/702439148.db2.gz DDUJBQNTSNADBC-SUMWQHHRSA-N 2 2 342.447 1.088 20 0 EDADLP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccnc2)CC1 ZINC001032665807 706678360 /nfs/dbraw/zinc/67/83/60/706678360.db2.gz GQAZKINBEQHJOT-ROUUACIJSA-N 2 2 328.460 1.599 20 0 EDADLP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccnc2)CC1 ZINC001032665807 706678363 /nfs/dbraw/zinc/67/83/63/706678363.db2.gz GQAZKINBEQHJOT-ROUUACIJSA-N 2 2 328.460 1.599 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996106943 702530182 /nfs/dbraw/zinc/53/01/82/702530182.db2.gz QWWRBNLALWQISP-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1[NH2+]CCF ZINC000996190647 702596103 /nfs/dbraw/zinc/59/61/03/702596103.db2.gz MKLWRSNQPXWSHY-HOTGVXAUSA-N 2 2 341.471 1.426 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1[NH2+]CCF ZINC000996190647 702596107 /nfs/dbraw/zinc/59/61/07/702596107.db2.gz MKLWRSNQPXWSHY-HOTGVXAUSA-N 2 2 341.471 1.426 20 0 EDADLP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996356239 702733651 /nfs/dbraw/zinc/73/36/51/702733651.db2.gz QYIUASSZKQJDPP-MRXNPFEDSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC2(C)C)[nH]1 ZINC000996449252 702794229 /nfs/dbraw/zinc/79/42/29/702794229.db2.gz NLXIHRGTKAUCON-HNNXBMFYSA-N 2 2 348.495 1.172 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)ncn1 ZINC000996513880 702833154 /nfs/dbraw/zinc/83/31/54/702833154.db2.gz KFMBUYIKVMGDNK-MRXNPFEDSA-N 2 2 342.447 1.088 20 0 EDADLP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nnc(C2CC2)o1 ZINC000996611164 702916411 /nfs/dbraw/zinc/91/64/11/702916411.db2.gz KXVOIUKVHLUOPK-AWEZNQCLSA-N 2 2 347.463 1.369 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)sc1C ZINC000996714451 703009371 /nfs/dbraw/zinc/00/93/71/703009371.db2.gz KYKPWAOQGZOOSX-CQSZACIVSA-N 2 2 347.488 1.983 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996715339 703010253 /nfs/dbraw/zinc/01/02/53/703010253.db2.gz IBCVRYKLIHQSLZ-HNNXBMFYSA-N 2 2 347.459 1.640 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942517681 703011184 /nfs/dbraw/zinc/01/11/84/703011184.db2.gz DRUWHYGUGPIGQE-SUMWQHHRSA-N 2 2 339.399 1.963 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942517681 703011186 /nfs/dbraw/zinc/01/11/86/703011186.db2.gz DRUWHYGUGPIGQE-SUMWQHHRSA-N 2 2 339.399 1.963 20 0 EDADLP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996717076 703015699 /nfs/dbraw/zinc/01/56/99/703015699.db2.gz RVKQZEDBCZEXSC-OAHLLOKOSA-N 2 2 343.431 1.314 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000942519054 703021025 /nfs/dbraw/zinc/02/10/25/703021025.db2.gz YSEJOSCYRCRMBD-GUYCJALGSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000942519054 703021028 /nfs/dbraw/zinc/02/10/28/703021028.db2.gz YSEJOSCYRCRMBD-GUYCJALGSA-N 2 2 342.447 1.317 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996729665 703026507 /nfs/dbraw/zinc/02/65/07/703026507.db2.gz FRXDCLWUTHEUTB-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000996730791 703027526 /nfs/dbraw/zinc/02/75/26/703027526.db2.gz JYCKXWJUDONEPH-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996730862 703027870 /nfs/dbraw/zinc/02/78/70/703027870.db2.gz LGWQPBOVWROVIM-HNNXBMFYSA-N 2 2 339.443 1.621 20 0 EDADLP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000996740192 703035671 /nfs/dbraw/zinc/03/56/71/703035671.db2.gz STNROKHOYSXROM-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996741260 703036558 /nfs/dbraw/zinc/03/65/58/703036558.db2.gz ZBFJVOVHWLEWMF-LSDHHAIUSA-N 2 2 332.448 1.063 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC([NH2+]Cc3ccon3)CC2)no1 ZINC000996746638 703040825 /nfs/dbraw/zinc/04/08/25/703040825.db2.gz JOCIPOPVFRXCDP-UHFFFAOYSA-N 2 2 333.392 1.119 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996762379 703054326 /nfs/dbraw/zinc/05/43/26/703054326.db2.gz WNFLMUMHUPBOMD-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942596613 703110872 /nfs/dbraw/zinc/11/08/72/703110872.db2.gz CVHJODJMMBGLEJ-YOEHRIQHSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942596613 703110874 /nfs/dbraw/zinc/11/08/74/703110874.db2.gz CVHJODJMMBGLEJ-YOEHRIQHSA-N 2 2 345.491 1.453 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)on1 ZINC000996833457 703115979 /nfs/dbraw/zinc/11/59/79/703115979.db2.gz JBXNIUYHWLEMGV-UHFFFAOYSA-N 2 2 347.419 1.130 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC([NH2+]CC(=O)N3CCC3)CC2)c(C)[nH+]1 ZINC000996829132 703118547 /nfs/dbraw/zinc/11/85/47/703118547.db2.gz FRVLYDYBFYCGBG-UHFFFAOYSA-N 2 2 344.459 1.433 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CCC2)C1 ZINC000996846729 703135945 /nfs/dbraw/zinc/13/59/45/703135945.db2.gz ANANOAVSWWTLQK-STQMWFEESA-N 2 2 344.381 1.979 20 0 EDADLP CCn1ccnc1C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996858430 703142806 /nfs/dbraw/zinc/14/28/06/703142806.db2.gz IMWTUIJDENPVTF-UHFFFAOYSA-N 2 2 330.436 1.270 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000996859568 703143387 /nfs/dbraw/zinc/14/33/87/703143387.db2.gz OOYBWDJHVVUKPV-UHFFFAOYSA-N 2 2 344.419 1.314 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000996861339 703144196 /nfs/dbraw/zinc/14/41/96/703144196.db2.gz USLMDTNVSPRJAW-UHFFFAOYSA-N 2 2 343.435 1.050 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000997019876 703281785 /nfs/dbraw/zinc/28/17/85/703281785.db2.gz BXKDYMBOWMTYKV-BRWVUGGUSA-N 2 2 346.475 1.673 20 0 EDADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1 ZINC001032408414 703434615 /nfs/dbraw/zinc/43/46/15/703434615.db2.gz ZZKDTIJYYPIEPE-FHWLQOOXSA-N 2 2 343.446 1.953 20 0 EDADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1 ZINC001032408414 703434616 /nfs/dbraw/zinc/43/46/16/703434616.db2.gz ZZKDTIJYYPIEPE-FHWLQOOXSA-N 2 2 343.446 1.953 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)sc1C ZINC000997178567 703464646 /nfs/dbraw/zinc/46/46/46/703464646.db2.gz DBCICMOHRVQMSB-UHFFFAOYSA-N 2 2 347.488 1.817 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000997182607 703467510 /nfs/dbraw/zinc/46/75/10/703467510.db2.gz ZUDPUESWEJFSIC-CZUORRHYSA-N 2 2 348.495 1.314 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000997182607 703467511 /nfs/dbraw/zinc/46/75/11/703467511.db2.gz ZUDPUESWEJFSIC-CZUORRHYSA-N 2 2 348.495 1.314 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]Cc2ncccn2)CC1)c1c[nH+]c[nH]1 ZINC000997182370 703467594 /nfs/dbraw/zinc/46/75/94/703467594.db2.gz KKIBGTDQMKMQDH-UHFFFAOYSA-N 2 2 328.420 1.258 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2nc(C(C)C)no2)CC1 ZINC000997222625 703500261 /nfs/dbraw/zinc/50/02/61/703500261.db2.gz SFNZFQICSCNQNA-UHFFFAOYSA-N 2 2 346.435 1.548 20 0 EDADLP CCc1cnc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000997209884 703509589 /nfs/dbraw/zinc/50/95/89/703509589.db2.gz FWFJLJAOFALSPF-UHFFFAOYSA-N 2 2 331.420 1.592 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2cn(C(C)C)nn2)CC1 ZINC000997211169 703510804 /nfs/dbraw/zinc/51/08/04/703510804.db2.gz ODCWKRSYFOEUCP-UHFFFAOYSA-N 2 2 345.451 1.214 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)nc1 ZINC000997238809 703525640 /nfs/dbraw/zinc/52/56/40/703525640.db2.gz ZMAWKGLKLJIRFJ-UHFFFAOYSA-N 2 2 342.447 1.232 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000921555624 703527103 /nfs/dbraw/zinc/52/71/03/703527103.db2.gz FGJXGERXVWBQFZ-OAGGEKHMSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000921555624 703527104 /nfs/dbraw/zinc/52/71/04/703527104.db2.gz FGJXGERXVWBQFZ-OAGGEKHMSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000921555624 703527105 /nfs/dbraw/zinc/52/71/05/703527105.db2.gz FGJXGERXVWBQFZ-OAGGEKHMSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000921555624 703527106 /nfs/dbraw/zinc/52/71/06/703527106.db2.gz FGJXGERXVWBQFZ-OAGGEKHMSA-N 2 2 326.485 1.077 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)c1 ZINC001032444864 703622525 /nfs/dbraw/zinc/62/25/25/703622525.db2.gz PWNGUCWAJTVIGR-OKZBNKHCSA-N 2 2 328.460 1.515 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)c1 ZINC001032444864 703622526 /nfs/dbraw/zinc/62/25/26/703622526.db2.gz PWNGUCWAJTVIGR-OKZBNKHCSA-N 2 2 328.460 1.515 20 0 EDADLP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000921585136 703627867 /nfs/dbraw/zinc/62/78/67/703627867.db2.gz BKJCGKZOOYLMGK-GDBMZVCRSA-N 2 2 336.432 1.173 20 0 EDADLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cn1)C1CC[NH+](CCO)CC1 ZINC000997389611 703657316 /nfs/dbraw/zinc/65/73/16/703657316.db2.gz JAGJSYQBLLQDIS-CQSZACIVSA-N 2 2 343.431 1.090 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC000997412547 703668274 /nfs/dbraw/zinc/66/82/74/703668274.db2.gz DCHMFAWPKXNSDC-UHFFFAOYSA-N 2 2 340.387 1.200 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1cccc(C)c1)[NH+](C)C ZINC001032473916 703692340 /nfs/dbraw/zinc/69/23/40/703692340.db2.gz HNWFWRPMPANBIU-JENIJYKNSA-N 2 2 345.487 1.999 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1cccc(C)c1)[NH+](C)C ZINC001032473916 703692341 /nfs/dbraw/zinc/69/23/41/703692341.db2.gz HNWFWRPMPANBIU-JENIJYKNSA-N 2 2 345.487 1.999 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1)C12CCC[NH+]1CCC2 ZINC001032498075 703795775 /nfs/dbraw/zinc/79/57/75/703795775.db2.gz GRCDXALAEONKCX-GJZGRUSLSA-N 2 2 346.500 1.599 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1)C12CCC[NH+]1CCC2 ZINC001032498075 703795776 /nfs/dbraw/zinc/79/57/76/703795776.db2.gz GRCDXALAEONKCX-GJZGRUSLSA-N 2 2 346.500 1.599 20 0 EDADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCCO1 ZINC001032500780 703819422 /nfs/dbraw/zinc/81/94/22/703819422.db2.gz DUOUBIBGIMCFLT-BZSNNMDCSA-N 2 2 340.427 1.802 20 0 EDADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCCCO1 ZINC001032500780 703819425 /nfs/dbraw/zinc/81/94/25/703819425.db2.gz DUOUBIBGIMCFLT-BZSNNMDCSA-N 2 2 340.427 1.802 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC000995552327 703959614 /nfs/dbraw/zinc/95/96/14/703959614.db2.gz QKZALPZLIGHPAM-GOEBONIOSA-N 2 2 346.475 1.973 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC000995552327 703959616 /nfs/dbraw/zinc/95/96/16/703959616.db2.gz QKZALPZLIGHPAM-GOEBONIOSA-N 2 2 346.475 1.973 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC000995552325 703959679 /nfs/dbraw/zinc/95/96/79/703959679.db2.gz QKZALPZLIGHPAM-GDBMZVCRSA-N 2 2 346.475 1.973 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC000995552325 703959680 /nfs/dbraw/zinc/95/96/80/703959680.db2.gz QKZALPZLIGHPAM-GDBMZVCRSA-N 2 2 346.475 1.973 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(F)c3)C2)CC[N@@H+]1C ZINC001033097520 704190789 /nfs/dbraw/zinc/19/07/89/704190789.db2.gz ZNGYHRDMZXEULX-FGTMMUONSA-N 2 2 348.466 1.984 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(F)c3)C2)CC[N@H+]1C ZINC001033097520 704190791 /nfs/dbraw/zinc/19/07/91/704190791.db2.gz ZNGYHRDMZXEULX-FGTMMUONSA-N 2 2 348.466 1.984 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)CC[NH+]1C ZINC001033097520 704190794 /nfs/dbraw/zinc/19/07/94/704190794.db2.gz ZNGYHRDMZXEULX-FGTMMUONSA-N 2 2 348.466 1.984 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CC[NH+]1C ZINC001033097520 704190796 /nfs/dbraw/zinc/19/07/96/704190796.db2.gz ZNGYHRDMZXEULX-FGTMMUONSA-N 2 2 348.466 1.984 20 0 EDADLP O=C1C[C@H](CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CN1 ZINC000922779874 704332713 /nfs/dbraw/zinc/33/27/13/704332713.db2.gz BXCQJXONMLICIY-KRWDZBQOSA-N 2 2 347.459 1.013 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000922812065 704378903 /nfs/dbraw/zinc/37/89/03/704378903.db2.gz WVCHTYAOJSJTNO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000922812065 704378906 /nfs/dbraw/zinc/37/89/06/704378906.db2.gz WVCHTYAOJSJTNO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)c3occc3C[NH+](C)C)C2)[nH]1 ZINC000999312554 706815218 /nfs/dbraw/zinc/81/52/18/706815218.db2.gz BKFNMCRLTCTSPQ-UHFFFAOYSA-N 2 2 346.435 1.161 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999314777 706816031 /nfs/dbraw/zinc/81/60/31/706816031.db2.gz FYIJAOFXLHJROL-MRXNPFEDSA-N 2 2 331.395 1.657 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999314777 706816033 /nfs/dbraw/zinc/81/60/33/706816033.db2.gz FYIJAOFXLHJROL-MRXNPFEDSA-N 2 2 331.395 1.657 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1 ZINC001032535160 704567790 /nfs/dbraw/zinc/56/77/90/704567790.db2.gz VIVXLKLPTNBRRA-ULQDDVLXSA-N 2 2 346.475 1.455 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1 ZINC001032535160 704567792 /nfs/dbraw/zinc/56/77/92/704567792.db2.gz VIVXLKLPTNBRRA-ULQDDVLXSA-N 2 2 346.475 1.455 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997881262 704785639 /nfs/dbraw/zinc/78/56/39/704785639.db2.gz QQUHJRSXVYRMLR-IRXDYDNUSA-N 2 2 346.475 1.310 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)nn1 ZINC000944945274 704798180 /nfs/dbraw/zinc/79/81/80/704798180.db2.gz QQQNWZFVGWSVFQ-WBVHZDCISA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)nn1 ZINC000944945274 704798182 /nfs/dbraw/zinc/79/81/82/704798182.db2.gz QQQNWZFVGWSVFQ-WBVHZDCISA-N 2 2 348.495 1.281 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)on1 ZINC000944965007 704834177 /nfs/dbraw/zinc/83/41/77/704834177.db2.gz OHWXKRROECDLOO-WBMJQRKESA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)on1 ZINC000944965007 704834182 /nfs/dbraw/zinc/83/41/82/704834182.db2.gz OHWXKRROECDLOO-WBMJQRKESA-N 2 2 331.420 1.515 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C[C@@H]1C ZINC000944966526 704839179 /nfs/dbraw/zinc/83/91/79/704839179.db2.gz ZWIRYRVGHVYJCH-SUMWQHHRSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C[C@@H]1C ZINC000944966526 704839184 /nfs/dbraw/zinc/83/91/84/704839184.db2.gz ZWIRYRVGHVYJCH-SUMWQHHRSA-N 2 2 342.447 1.317 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2c[nH+]cn2C)C1 ZINC001032582149 705018108 /nfs/dbraw/zinc/01/81/08/705018108.db2.gz OJUXAJBASXFBSK-ULQDDVLXSA-N 2 2 345.491 1.327 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2c[nH+]cn2C)C1 ZINC001032582149 705018111 /nfs/dbraw/zinc/01/81/11/705018111.db2.gz OJUXAJBASXFBSK-ULQDDVLXSA-N 2 2 345.491 1.327 20 0 EDADLP CCc1noc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000997951577 705070323 /nfs/dbraw/zinc/07/03/23/705070323.db2.gz HMARMOJELGTQSM-UHFFFAOYSA-N 2 2 346.435 1.247 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000997952324 705073406 /nfs/dbraw/zinc/07/34/06/705073406.db2.gz LGDIPDWRUGPSKJ-QGZVFWFLSA-N 2 2 348.491 1.917 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000998114475 705364747 /nfs/dbraw/zinc/36/47/47/705364747.db2.gz IHTPFYGOPXZNIA-UHFFFAOYSA-N 2 2 342.443 1.473 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000998183462 705482973 /nfs/dbraw/zinc/48/29/73/705482973.db2.gz OXUFYJITFLWORB-UHFFFAOYSA-N 2 2 331.395 1.515 20 0 EDADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)[nH]1 ZINC000998223565 705551075 /nfs/dbraw/zinc/55/10/75/705551075.db2.gz SDCYSZZKBQPTNS-UHFFFAOYSA-N 2 2 345.451 1.142 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998243228 705587000 /nfs/dbraw/zinc/58/70/00/705587000.db2.gz FCPLBYCACUDUMW-UHFFFAOYSA-N 2 2 327.432 1.684 20 0 EDADLP CC(C)c1nc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)no1 ZINC000998270637 705649300 /nfs/dbraw/zinc/64/93/00/705649300.db2.gz WYAVIVPSFMMZHH-UHFFFAOYSA-N 2 2 349.479 1.617 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]Cc2ccncc2Cl)CC1 ZINC000998298045 705701214 /nfs/dbraw/zinc/70/12/14/705701214.db2.gz SZJGUENVQVXODA-UHFFFAOYSA-N 2 2 347.850 1.960 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1)c1ncccn1 ZINC000998298389 705701882 /nfs/dbraw/zinc/70/18/82/705701882.db2.gz XDWIMJILWBBXAA-CQSZACIVSA-N 2 2 328.420 1.263 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000998929725 706358058 /nfs/dbraw/zinc/35/80/58/706358058.db2.gz OFAWIDHFPNFTKF-QDIHITRGSA-N 2 2 325.416 1.687 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000998929725 706358061 /nfs/dbraw/zinc/35/80/61/706358061.db2.gz OFAWIDHFPNFTKF-QDIHITRGSA-N 2 2 325.416 1.687 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000998987550 706419290 /nfs/dbraw/zinc/41/92/90/706419290.db2.gz ORJDLPJBHRNDTB-ODIFPOPNSA-N 2 2 347.459 1.638 20 0 EDADLP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999006881 706426450 /nfs/dbraw/zinc/42/64/50/706426450.db2.gz HUGHGWNICQZZSG-WLYUNCDWSA-N 2 2 343.431 1.521 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999008537 706428361 /nfs/dbraw/zinc/42/83/61/706428361.db2.gz ZIMYQDHEFLIAMQ-HJOIGYKYSA-N 2 2 346.475 1.451 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC000999045392 706486598 /nfs/dbraw/zinc/48/65/98/706486598.db2.gz ONJVUTFRJUALRB-HUUCEWRRSA-N 2 2 342.447 1.783 20 0 EDADLP Cc1noc([C@H](C)[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999127845 706529485 /nfs/dbraw/zinc/52/94/85/706529485.db2.gz VSPAPWNWKLWNRF-XGNXJENSSA-N 2 2 332.408 1.223 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999324250 706834748 /nfs/dbraw/zinc/83/47/48/706834748.db2.gz VLKYKOCGYQOILM-ROUUACIJSA-N 2 2 348.491 1.864 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999324250 706834751 /nfs/dbraw/zinc/83/47/51/706834751.db2.gz VLKYKOCGYQOILM-ROUUACIJSA-N 2 2 348.491 1.864 20 0 EDADLP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001032712879 706836924 /nfs/dbraw/zinc/83/69/24/706836924.db2.gz NFEUEZVKNVWFNA-KBMXLJTQSA-N 2 2 343.406 1.914 20 0 EDADLP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001032712879 706836928 /nfs/dbraw/zinc/83/69/28/706836928.db2.gz NFEUEZVKNVWFNA-KBMXLJTQSA-N 2 2 343.406 1.914 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)n3)C2)c[nH+]1 ZINC000999467164 706975366 /nfs/dbraw/zinc/97/53/66/706975366.db2.gz PXDOBNNTPSOQNL-MRXNPFEDSA-N 2 2 344.463 1.441 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000999474167 706982941 /nfs/dbraw/zinc/98/29/41/706982941.db2.gz SSZCXSLODQSWEX-UHFFFAOYSA-N 2 2 346.406 1.363 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1)[NH+](C)C ZINC000999491471 707027973 /nfs/dbraw/zinc/02/79/73/707027973.db2.gz VFURUAQWALGDMI-IUODEOHRSA-N 2 2 341.887 1.494 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999537021 707037529 /nfs/dbraw/zinc/03/75/29/707037529.db2.gz QZONJOSSLSXLPC-OLZOCXBDSA-N 2 2 346.460 1.078 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cccnc3)C2)no1 ZINC000999560946 707058223 /nfs/dbraw/zinc/05/82/23/707058223.db2.gz MUJQJCXPJUFWAU-OAHLLOKOSA-N 2 2 343.431 1.526 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]Cc2nccs2)C1 ZINC000999699194 707227635 /nfs/dbraw/zinc/22/76/35/707227635.db2.gz VQQCRQUVVFGVGZ-UHFFFAOYSA-N 2 2 333.461 1.923 20 0 EDADLP Cc1cnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999713604 707251640 /nfs/dbraw/zinc/25/16/40/707251640.db2.gz LIOUZUYTDGLGLZ-LSDHHAIUSA-N 2 2 331.420 1.830 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001033265399 707289173 /nfs/dbraw/zinc/28/91/73/707289173.db2.gz HAPLMSNSHYZWMQ-OAHLLOKOSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC001033265399 707289175 /nfs/dbraw/zinc/28/91/75/707289175.db2.gz HAPLMSNSHYZWMQ-OAHLLOKOSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1nc(CC[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)cs1 ZINC000999745844 707345379 /nfs/dbraw/zinc/34/53/79/707345379.db2.gz DKNQPBXAXKCKNY-UHFFFAOYSA-N 2 2 347.488 1.847 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ncccc2C)C1 ZINC000999747902 707348501 /nfs/dbraw/zinc/34/85/01/707348501.db2.gz RHJAELRFRKNKKL-UHFFFAOYSA-N 2 2 327.432 1.743 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)[nH]1 ZINC000999753432 707355024 /nfs/dbraw/zinc/35/50/24/707355024.db2.gz MEZGIEYFKGEWGU-PNESKVBLSA-N 2 2 345.451 1.281 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)n1 ZINC000999793436 707364986 /nfs/dbraw/zinc/36/49/86/707364986.db2.gz QLKOKQIKRDDYHU-WBVHZDCISA-N 2 2 347.463 1.333 20 0 EDADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000999824163 707452361 /nfs/dbraw/zinc/45/23/61/707452361.db2.gz WGTDKJPIOIINAZ-GDBMZVCRSA-N 2 2 328.416 1.447 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999886466 707476110 /nfs/dbraw/zinc/47/61/10/707476110.db2.gz WLNBHQVBYYCHAL-ZFWWWQNUSA-N 2 2 349.479 1.894 20 0 EDADLP COCc1ccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000999915332 707557589 /nfs/dbraw/zinc/55/75/89/707557589.db2.gz JRVUXOWYIUNFRZ-UHFFFAOYSA-N 2 2 342.443 1.809 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815787 707565501 /nfs/dbraw/zinc/56/55/01/707565501.db2.gz OTTHXIYRLFEQEV-XUWVNRHRSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815787 707565504 /nfs/dbraw/zinc/56/55/04/707565504.db2.gz OTTHXIYRLFEQEV-XUWVNRHRSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815787 707565505 /nfs/dbraw/zinc/56/55/05/707565505.db2.gz OTTHXIYRLFEQEV-XUWVNRHRSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815787 707565508 /nfs/dbraw/zinc/56/55/08/707565508.db2.gz OTTHXIYRLFEQEV-XUWVNRHRSA-N 2 2 334.464 1.140 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001004894274 707576727 /nfs/dbraw/zinc/57/67/27/707576727.db2.gz GBJKZVTWVNYHFR-HIFRSBDPSA-N 2 2 346.435 1.442 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033364361 707656613 /nfs/dbraw/zinc/65/66/13/707656613.db2.gz DOOHZMVHGRQNCW-MSOLQXFVSA-N 2 2 337.508 1.819 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001033364361 707656617 /nfs/dbraw/zinc/65/66/17/707656617.db2.gz DOOHZMVHGRQNCW-MSOLQXFVSA-N 2 2 337.508 1.819 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001033364361 707656620 /nfs/dbraw/zinc/65/66/20/707656620.db2.gz DOOHZMVHGRQNCW-MSOLQXFVSA-N 2 2 337.508 1.819 20 0 EDADLP CC(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001033364361 707656623 /nfs/dbraw/zinc/65/66/23/707656623.db2.gz DOOHZMVHGRQNCW-MSOLQXFVSA-N 2 2 337.508 1.819 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032730426 707738324 /nfs/dbraw/zinc/73/83/24/707738324.db2.gz FBWDHGSQGXXQPN-PMPSAXMXSA-N 2 2 332.448 1.418 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032730426 707738326 /nfs/dbraw/zinc/73/83/26/707738326.db2.gz FBWDHGSQGXXQPN-PMPSAXMXSA-N 2 2 332.448 1.418 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730426 707738328 /nfs/dbraw/zinc/73/83/28/707738328.db2.gz FBWDHGSQGXXQPN-PMPSAXMXSA-N 2 2 332.448 1.418 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730426 707738330 /nfs/dbraw/zinc/73/83/30/707738330.db2.gz FBWDHGSQGXXQPN-PMPSAXMXSA-N 2 2 332.448 1.418 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)c1 ZINC001032733709 707741770 /nfs/dbraw/zinc/74/17/70/707741770.db2.gz HORHZELAMOXFGI-IRXDYDNUSA-N 2 2 326.444 1.271 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)c1 ZINC001032733709 707741775 /nfs/dbraw/zinc/74/17/75/707741775.db2.gz HORHZELAMOXFGI-IRXDYDNUSA-N 2 2 326.444 1.271 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1C ZINC001033418389 707802162 /nfs/dbraw/zinc/80/21/62/707802162.db2.gz BXQQMCYHYDJJLL-RHSMWYFYSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1C ZINC001033418389 707802165 /nfs/dbraw/zinc/80/21/65/707802165.db2.gz BXQQMCYHYDJJLL-RHSMWYFYSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)nn1C ZINC001033418389 707802168 /nfs/dbraw/zinc/80/21/68/707802168.db2.gz BXQQMCYHYDJJLL-RHSMWYFYSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)nn1C ZINC001033418389 707802172 /nfs/dbraw/zinc/80/21/72/707802172.db2.gz BXQQMCYHYDJJLL-RHSMWYFYSA-N 2 2 333.480 1.103 20 0 EDADLP C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004976326 707810194 /nfs/dbraw/zinc/81/01/94/707810194.db2.gz FGIZCCAKLZFECX-YJBOKZPZSA-N 2 2 348.491 1.748 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)on1 ZINC001033423339 707838763 /nfs/dbraw/zinc/83/87/63/707838763.db2.gz MUYBFEBHLCPKSR-ZIAGYGMSSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)on1 ZINC001033423339 707838766 /nfs/dbraw/zinc/83/87/66/707838766.db2.gz MUYBFEBHLCPKSR-ZIAGYGMSSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)on1 ZINC001033423339 707838768 /nfs/dbraw/zinc/83/87/68/707838768.db2.gz MUYBFEBHLCPKSR-ZIAGYGMSSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)on1 ZINC001033423339 707838772 /nfs/dbraw/zinc/83/87/72/707838772.db2.gz MUYBFEBHLCPKSR-ZIAGYGMSSA-N 2 2 336.436 1.200 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426565 707849228 /nfs/dbraw/zinc/84/92/28/707849228.db2.gz ROVPHGMTBVNNIA-CVEARBPZSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@H](c1cnccn1)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426565 707849230 /nfs/dbraw/zinc/84/92/30/707849230.db2.gz ROVPHGMTBVNNIA-CVEARBPZSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@H](c1cnccn1)[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033426565 707849232 /nfs/dbraw/zinc/84/92/32/707849232.db2.gz ROVPHGMTBVNNIA-CVEARBPZSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@H](c1cnccn1)[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426565 707849234 /nfs/dbraw/zinc/84/92/34/707849234.db2.gz ROVPHGMTBVNNIA-CVEARBPZSA-N 2 2 345.491 1.802 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc[nH+]1 ZINC001060926930 707931650 /nfs/dbraw/zinc/93/16/50/707931650.db2.gz GBTLUUPBGPGJHE-ZBFHGGJFSA-N 2 2 329.448 1.387 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC001000560566 708047705 /nfs/dbraw/zinc/04/77/05/708047705.db2.gz KMYIDRCNEISFSY-CVEARBPZSA-N 2 2 334.464 1.474 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001005185476 708117720 /nfs/dbraw/zinc/11/77/20/708117720.db2.gz RSMIDAMDHMAJQY-ZFWWWQNUSA-N 2 2 349.479 1.710 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001005185476 708117721 /nfs/dbraw/zinc/11/77/21/708117721.db2.gz RSMIDAMDHMAJQY-ZFWWWQNUSA-N 2 2 349.479 1.710 20 0 EDADLP CC(C)n1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC001005181765 708127135 /nfs/dbraw/zinc/12/71/35/708127135.db2.gz YIVWXNLQKRZLOM-KRWDZBQOSA-N 2 2 348.495 1.376 20 0 EDADLP CC(C)n1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC001005181765 708127138 /nfs/dbraw/zinc/12/71/38/708127138.db2.gz YIVWXNLQKRZLOM-KRWDZBQOSA-N 2 2 348.495 1.376 20 0 EDADLP Cc1cc(NC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nc(C)[nH+]1 ZINC001061021698 708246400 /nfs/dbraw/zinc/24/64/00/708246400.db2.gz LCOSHAHUWLDKJC-VNQPRFMTSA-N 2 2 347.463 1.073 20 0 EDADLP Cc1cc(NC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nc(C)[nH+]1 ZINC001061021698 708246402 /nfs/dbraw/zinc/24/64/02/708246402.db2.gz LCOSHAHUWLDKJC-VNQPRFMTSA-N 2 2 347.463 1.073 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033586642 708276977 /nfs/dbraw/zinc/27/69/77/708276977.db2.gz YJVPSXIQTMPHKB-MRXNPFEDSA-N 2 2 339.443 1.889 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033586642 708276981 /nfs/dbraw/zinc/27/69/81/708276981.db2.gz YJVPSXIQTMPHKB-MRXNPFEDSA-N 2 2 339.443 1.889 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033586591 708277238 /nfs/dbraw/zinc/27/72/38/708277238.db2.gz XKCRUBPEVQCQDH-AWEZNQCLSA-N 2 2 342.447 1.228 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033586591 708277242 /nfs/dbraw/zinc/27/72/42/708277242.db2.gz XKCRUBPEVQCQDH-AWEZNQCLSA-N 2 2 342.447 1.228 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033592507 708278070 /nfs/dbraw/zinc/27/80/70/708278070.db2.gz ANUCSLKJDKMZHQ-AEFFLSMTSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033592507 708278072 /nfs/dbraw/zinc/27/80/72/708278072.db2.gz ANUCSLKJDKMZHQ-AEFFLSMTSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033592507 708278074 /nfs/dbraw/zinc/27/80/74/708278074.db2.gz ANUCSLKJDKMZHQ-AEFFLSMTSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1ccc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033592507 708278075 /nfs/dbraw/zinc/27/80/75/708278075.db2.gz ANUCSLKJDKMZHQ-AEFFLSMTSA-N 2 2 347.507 1.839 20 0 EDADLP C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033591432 708289252 /nfs/dbraw/zinc/28/92/52/708289252.db2.gz BZRPCZQJMIGFFE-HUUCEWRRSA-N 2 2 329.448 1.166 20 0 EDADLP C[C@H](c1ncccn1)[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033591432 708289253 /nfs/dbraw/zinc/28/92/53/708289253.db2.gz BZRPCZQJMIGFFE-HUUCEWRRSA-N 2 2 329.448 1.166 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033592270 708291093 /nfs/dbraw/zinc/29/10/93/708291093.db2.gz YFFVNKZLYQPSAT-MRXNPFEDSA-N 2 2 334.464 1.312 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033592270 708291094 /nfs/dbraw/zinc/29/10/94/708291094.db2.gz YFFVNKZLYQPSAT-MRXNPFEDSA-N 2 2 334.464 1.312 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585798 708313843 /nfs/dbraw/zinc/31/38/43/708313843.db2.gz MVVHRGHSNPSQHW-OAHLLOKOSA-N 2 2 343.431 1.791 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033585798 708313846 /nfs/dbraw/zinc/31/38/46/708313846.db2.gz MVVHRGHSNPSQHW-OAHLLOKOSA-N 2 2 343.431 1.791 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001001911903 708417081 /nfs/dbraw/zinc/41/70/81/708417081.db2.gz RCFYEEBRHAHANX-KRWDZBQOSA-N 2 2 349.479 1.661 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001001911903 708417084 /nfs/dbraw/zinc/41/70/84/708417084.db2.gz RCFYEEBRHAHANX-KRWDZBQOSA-N 2 2 349.479 1.661 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033669233 708458275 /nfs/dbraw/zinc/45/82/75/708458275.db2.gz PJHHCGUXTYASSD-QGZVFWFLSA-N 2 2 342.447 1.067 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033669233 708458276 /nfs/dbraw/zinc/45/82/76/708458276.db2.gz PJHHCGUXTYASSD-QGZVFWFLSA-N 2 2 342.447 1.067 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033685417 708499579 /nfs/dbraw/zinc/49/95/79/708499579.db2.gz LHVZQIQTMYZGEC-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033685417 708499580 /nfs/dbraw/zinc/49/95/80/708499580.db2.gz LHVZQIQTMYZGEC-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033685417 708499581 /nfs/dbraw/zinc/49/95/81/708499581.db2.gz LHVZQIQTMYZGEC-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033685417 708499582 /nfs/dbraw/zinc/49/95/82/708499582.db2.gz LHVZQIQTMYZGEC-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001033701412 708527650 /nfs/dbraw/zinc/52/76/50/708527650.db2.gz DCDHJBRCCAMUNF-CHWSQXEVSA-N 2 2 345.274 2.000 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001033701412 708527652 /nfs/dbraw/zinc/52/76/52/708527652.db2.gz DCDHJBRCCAMUNF-CHWSQXEVSA-N 2 2 345.274 2.000 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC001033704458 708533565 /nfs/dbraw/zinc/53/35/65/708533565.db2.gz VOUOKZFNHQXUQP-ZWKOTPCHSA-N 2 2 342.443 1.019 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC001033704458 708533567 /nfs/dbraw/zinc/53/35/67/708533567.db2.gz VOUOKZFNHQXUQP-ZWKOTPCHSA-N 2 2 342.443 1.019 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001002122565 708636997 /nfs/dbraw/zinc/63/69/97/708636997.db2.gz DUPYHWWIPVMJOS-UKRRQHHQSA-N 2 2 348.495 1.208 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001002122565 708636998 /nfs/dbraw/zinc/63/69/98/708636998.db2.gz DUPYHWWIPVMJOS-UKRRQHHQSA-N 2 2 348.495 1.208 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(OC)nc2)C1 ZINC001033772569 708670414 /nfs/dbraw/zinc/67/04/14/708670414.db2.gz ABOHTJUCSGJHIW-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC001033772569 708670416 /nfs/dbraw/zinc/67/04/16/708670416.db2.gz ABOHTJUCSGJHIW-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001033772569 708670420 /nfs/dbraw/zinc/67/04/20/708670420.db2.gz ABOHTJUCSGJHIW-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(OC)nc2)C1 ZINC001033772569 708670423 /nfs/dbraw/zinc/67/04/23/708670423.db2.gz ABOHTJUCSGJHIW-SJORKVTESA-N 2 2 346.475 1.607 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccnc(OC)n2)C1 ZINC001033777309 708705194 /nfs/dbraw/zinc/70/51/94/708705194.db2.gz UUVYLVBYLOVYEB-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccnc(OC)n2)C1 ZINC001033777309 708705196 /nfs/dbraw/zinc/70/51/96/708705196.db2.gz UUVYLVBYLOVYEB-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccnc(OC)n2)C1 ZINC001033777309 708705197 /nfs/dbraw/zinc/70/51/97/708705197.db2.gz UUVYLVBYLOVYEB-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccnc(OC)n2)C1 ZINC001033777309 708705199 /nfs/dbraw/zinc/70/51/99/708705199.db2.gz UUVYLVBYLOVYEB-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001033831811 708854576 /nfs/dbraw/zinc/85/45/76/708854576.db2.gz YWJKNWMVBXOHLP-MSOLQXFVSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001033831811 708854579 /nfs/dbraw/zinc/85/45/79/708854579.db2.gz YWJKNWMVBXOHLP-MSOLQXFVSA-N 2 2 346.475 1.748 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001002472515 709006081 /nfs/dbraw/zinc/00/60/81/709006081.db2.gz BHAXQSUBEVZNFR-MRXNPFEDSA-N 2 2 346.475 1.728 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC001002472515 709006083 /nfs/dbraw/zinc/00/60/83/709006083.db2.gz BHAXQSUBEVZNFR-MRXNPFEDSA-N 2 2 346.475 1.728 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033913081 709024112 /nfs/dbraw/zinc/02/41/12/709024112.db2.gz NNFGFXXGUYKBGF-GOSISDBHSA-N 2 2 342.443 1.791 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033913081 709024116 /nfs/dbraw/zinc/02/41/16/709024116.db2.gz NNFGFXXGUYKBGF-GOSISDBHSA-N 2 2 342.443 1.791 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001034042879 709293827 /nfs/dbraw/zinc/29/38/27/709293827.db2.gz RLXYJBDIVBWYCR-JKSUJKDBSA-N 2 2 331.464 1.160 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001034042879 709293828 /nfs/dbraw/zinc/29/38/28/709293828.db2.gz RLXYJBDIVBWYCR-JKSUJKDBSA-N 2 2 331.464 1.160 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nccc(C)n2)C1 ZINC001034042879 709293829 /nfs/dbraw/zinc/29/38/29/709293829.db2.gz RLXYJBDIVBWYCR-JKSUJKDBSA-N 2 2 331.464 1.160 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nccc(C)n2)C1 ZINC001034042879 709293830 /nfs/dbraw/zinc/29/38/30/709293830.db2.gz RLXYJBDIVBWYCR-JKSUJKDBSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001002828949 709446206 /nfs/dbraw/zinc/44/62/06/709446206.db2.gz MYAZZXRJISHWEH-LRDDRELGSA-N 2 2 347.463 1.361 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034206549 709552066 /nfs/dbraw/zinc/55/20/66/709552066.db2.gz CPXLWFZTDHOACX-IAGOWNOFSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001034206549 709552068 /nfs/dbraw/zinc/55/20/68/709552068.db2.gz CPXLWFZTDHOACX-IAGOWNOFSA-N 2 2 346.475 1.796 20 0 EDADLP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218744 709575476 /nfs/dbraw/zinc/57/54/76/709575476.db2.gz IFYGSEARUBAPOP-JKSUJKDBSA-N 2 2 348.491 1.768 20 0 EDADLP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001034218744 709575481 /nfs/dbraw/zinc/57/54/81/709575481.db2.gz IFYGSEARUBAPOP-JKSUJKDBSA-N 2 2 348.491 1.768 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001002954608 709654999 /nfs/dbraw/zinc/65/49/99/709654999.db2.gz GAMBMVQYGOFBED-QGZVFWFLSA-N 2 2 348.495 1.253 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cn(CC)nn2)CC1 ZINC001002954608 709655004 /nfs/dbraw/zinc/65/50/04/709655004.db2.gz GAMBMVQYGOFBED-QGZVFWFLSA-N 2 2 348.495 1.253 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001002956089 709658938 /nfs/dbraw/zinc/65/89/38/709658938.db2.gz QNWJUQCCVCLAEY-CJNGLKHVSA-N 2 2 349.479 1.894 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001002956089 709658942 /nfs/dbraw/zinc/65/89/42/709658942.db2.gz QNWJUQCCVCLAEY-CJNGLKHVSA-N 2 2 349.479 1.894 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001034308459 709748599 /nfs/dbraw/zinc/74/85/99/709748599.db2.gz BRSOPUSLOVVWQV-MRXNPFEDSA-N 2 2 344.463 1.579 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001034308459 709748603 /nfs/dbraw/zinc/74/86/03/709748603.db2.gz BRSOPUSLOVVWQV-MRXNPFEDSA-N 2 2 344.463 1.579 20 0 EDADLP Cn1nccc1C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339531 709801150 /nfs/dbraw/zinc/80/11/50/709801150.db2.gz HZWHWVKLDRHWNQ-INIZCTEOSA-N 2 2 347.507 1.765 20 0 EDADLP Cn1nccc1C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339531 709801154 /nfs/dbraw/zinc/80/11/54/709801154.db2.gz HZWHWVKLDRHWNQ-INIZCTEOSA-N 2 2 347.507 1.765 20 0 EDADLP Cn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339361 709801351 /nfs/dbraw/zinc/80/13/51/709801351.db2.gz DEZNFVSGCOUFAT-HNNXBMFYSA-N 2 2 348.495 1.160 20 0 EDADLP Cn1nncc1C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339361 709801354 /nfs/dbraw/zinc/80/13/54/709801354.db2.gz DEZNFVSGCOUFAT-HNNXBMFYSA-N 2 2 348.495 1.160 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001034396716 709936538 /nfs/dbraw/zinc/93/65/38/709936538.db2.gz GLDUJZUQZLRPNY-JKSUJKDBSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001034396716 709936540 /nfs/dbraw/zinc/93/65/40/709936540.db2.gz GLDUJZUQZLRPNY-JKSUJKDBSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)C1 ZINC001034396716 709936541 /nfs/dbraw/zinc/93/65/41/709936541.db2.gz GLDUJZUQZLRPNY-JKSUJKDBSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)C1 ZINC001034396716 709936542 /nfs/dbraw/zinc/93/65/42/709936542.db2.gz GLDUJZUQZLRPNY-JKSUJKDBSA-N 2 2 333.480 1.233 20 0 EDADLP CNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426851 709962976 /nfs/dbraw/zinc/96/29/76/709962976.db2.gz QFGRGVBVDSURLJ-CABCVRRESA-N 2 2 349.479 1.112 20 0 EDADLP CNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426851 709962977 /nfs/dbraw/zinc/96/29/77/709962977.db2.gz QFGRGVBVDSURLJ-CABCVRRESA-N 2 2 349.479 1.112 20 0 EDADLP O=C(NC1CC[NH+](CCOC2CCC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001003191186 710087087 /nfs/dbraw/zinc/08/70/87/710087087.db2.gz WDVGFAMDOVPQCV-OAHLLOKOSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034491060 710111066 /nfs/dbraw/zinc/11/10/66/710111066.db2.gz PLCFMUOMOZTANK-MRXNPFEDSA-N 2 2 344.463 1.175 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034491060 710111069 /nfs/dbraw/zinc/11/10/69/710111069.db2.gz PLCFMUOMOZTANK-MRXNPFEDSA-N 2 2 344.463 1.175 20 0 EDADLP CCc1nnc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034491428 710111642 /nfs/dbraw/zinc/11/16/42/710111642.db2.gz UWNURHUAXFSHHH-GJZGRUSLSA-N 2 2 349.479 1.445 20 0 EDADLP CCc1nnc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034491428 710111643 /nfs/dbraw/zinc/11/16/43/710111643.db2.gz UWNURHUAXFSHHH-GJZGRUSLSA-N 2 2 349.479 1.445 20 0 EDADLP CCc1nnc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001034491428 710111645 /nfs/dbraw/zinc/11/16/45/710111645.db2.gz UWNURHUAXFSHHH-GJZGRUSLSA-N 2 2 349.479 1.445 20 0 EDADLP CCc1nnc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034491428 710111646 /nfs/dbraw/zinc/11/16/46/710111646.db2.gz UWNURHUAXFSHHH-GJZGRUSLSA-N 2 2 349.479 1.445 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1)OC ZINC001003192303 710126508 /nfs/dbraw/zinc/12/65/08/710126508.db2.gz GNDYQBXZQXXHQO-ZBFHGGJFSA-N 2 2 334.464 1.451 20 0 EDADLP C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034489371 710139118 /nfs/dbraw/zinc/13/91/18/710139118.db2.gz BSUFYVWACFBYBW-HOTGVXAUSA-N 2 2 343.475 1.604 20 0 EDADLP C[C@@H](c1ncccn1)[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034489371 710139119 /nfs/dbraw/zinc/13/91/19/710139119.db2.gz BSUFYVWACFBYBW-HOTGVXAUSA-N 2 2 343.475 1.604 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)co1 ZINC001003242361 710165172 /nfs/dbraw/zinc/16/51/72/710165172.db2.gz DEYMNKNOJDSFQY-UHFFFAOYSA-N 2 2 332.448 1.692 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001034529489 710184273 /nfs/dbraw/zinc/18/42/73/710184273.db2.gz IADXXSBLTVGLCI-ZBFHGGJFSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001034529489 710184274 /nfs/dbraw/zinc/18/42/74/710184274.db2.gz IADXXSBLTVGLCI-ZBFHGGJFSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547444 710221782 /nfs/dbraw/zinc/22/17/82/710221782.db2.gz QIGMPTPZTNKECQ-MRXNPFEDSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547444 710221783 /nfs/dbraw/zinc/22/17/83/710221783.db2.gz QIGMPTPZTNKECQ-MRXNPFEDSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC001003318120 710246518 /nfs/dbraw/zinc/24/65/18/710246518.db2.gz GRPUXNNFMKKLCM-CQSZACIVSA-N 2 2 331.420 1.830 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)on1 ZINC001003625214 710454471 /nfs/dbraw/zinc/45/44/71/710454471.db2.gz CNFPVQNTNQZMLE-ZDUSSCGKSA-N 2 2 336.436 1.106 20 0 EDADLP COc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)on1 ZINC001003625214 710454473 /nfs/dbraw/zinc/45/44/73/710454473.db2.gz CNFPVQNTNQZMLE-ZDUSSCGKSA-N 2 2 336.436 1.106 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001003629298 710458914 /nfs/dbraw/zinc/45/89/14/710458914.db2.gz ZBBBLNXIGVSABD-HNNXBMFYSA-N 2 2 345.491 1.394 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001003629298 710458916 /nfs/dbraw/zinc/45/89/16/710458916.db2.gz ZBBBLNXIGVSABD-HNNXBMFYSA-N 2 2 345.491 1.394 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003635845 710462867 /nfs/dbraw/zinc/46/28/67/710462867.db2.gz SJCLLSVKFRXTAS-WMLDXEAASA-N 2 2 333.480 1.181 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003635845 710462869 /nfs/dbraw/zinc/46/28/69/710462869.db2.gz SJCLLSVKFRXTAS-WMLDXEAASA-N 2 2 333.480 1.181 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC001003744251 710526708 /nfs/dbraw/zinc/52/67/08/710526708.db2.gz BJBVBUIJRMCMDF-UHFFFAOYSA-N 2 2 335.452 1.191 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776667 710545686 /nfs/dbraw/zinc/54/56/86/710545686.db2.gz YYUOGUHNBWNNIK-SJORKVTESA-N 2 2 345.491 1.518 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776667 710545688 /nfs/dbraw/zinc/54/56/88/710545688.db2.gz YYUOGUHNBWNNIK-SJORKVTESA-N 2 2 345.491 1.518 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)s1 ZINC001034744112 710946812 /nfs/dbraw/zinc/94/68/12/710946812.db2.gz LQDBXTVBUMNSPU-JOCQHMNTSA-N 2 2 333.461 1.934 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001034762564 711000043 /nfs/dbraw/zinc/00/00/43/711000043.db2.gz CPHARBSCPUVOCJ-HDJSIYSDSA-N 2 2 328.420 1.268 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)oc1C ZINC001034776427 711053085 /nfs/dbraw/zinc/05/30/85/711053085.db2.gz TWLSWJPBFHQUNR-SHTZXODSSA-N 2 2 345.447 1.785 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001034776969 711055357 /nfs/dbraw/zinc/05/53/57/711055357.db2.gz MSALGQFIYJEZSK-HDJSIYSDSA-N 2 2 331.395 1.867 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001032975089 711063160 /nfs/dbraw/zinc/06/31/60/711063160.db2.gz GKHKNHZORGESKH-IRXDYDNUSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001032975089 711063162 /nfs/dbraw/zinc/06/31/62/711063162.db2.gz GKHKNHZORGESKH-IRXDYDNUSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001032975089 711063164 /nfs/dbraw/zinc/06/31/64/711063164.db2.gz GKHKNHZORGESKH-IRXDYDNUSA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(F)c2)C1 ZINC001032975089 711063167 /nfs/dbraw/zinc/06/31/67/711063167.db2.gz GKHKNHZORGESKH-IRXDYDNUSA-N 2 2 335.423 1.189 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)on1 ZINC001034778247 711079504 /nfs/dbraw/zinc/07/95/04/711079504.db2.gz PYTHRSWFELCEQW-JOCQHMNTSA-N 2 2 347.419 1.176 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC001034786226 711090369 /nfs/dbraw/zinc/09/03/69/711090369.db2.gz KOCZDLMFUVLARW-SHTZXODSSA-N 2 2 327.432 1.873 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)CC2)nn1C ZINC001034787187 711092977 /nfs/dbraw/zinc/09/29/77/711092977.db2.gz YXPYTVUUDKNEQU-SHTZXODSSA-N 2 2 344.463 1.520 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC001034802312 711134570 /nfs/dbraw/zinc/13/45/70/711134570.db2.gz WWZHEGWSXMORSK-UBHSHLNASA-N 2 2 331.424 1.088 20 0 EDADLP O=C(C[N@@H+]1CCc2sccc2C1)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034798672 711134721 /nfs/dbraw/zinc/13/47/21/711134721.db2.gz LCQZNZAJRDSQSN-SHTZXODSSA-N 2 2 337.489 1.116 20 0 EDADLP O=C(C[N@H+]1CCc2sccc2C1)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034798672 711134727 /nfs/dbraw/zinc/13/47/27/711134727.db2.gz LCQZNZAJRDSQSN-SHTZXODSSA-N 2 2 337.489 1.116 20 0 EDADLP CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001034890410 711345859 /nfs/dbraw/zinc/34/58/59/711345859.db2.gz BZCNRMMMUFSYTP-RTBURBONSA-N 2 2 345.487 1.660 20 0 EDADLP CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001034890410 711345863 /nfs/dbraw/zinc/34/58/63/711345863.db2.gz BZCNRMMMUFSYTP-RTBURBONSA-N 2 2 345.487 1.660 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004053144 711374832 /nfs/dbraw/zinc/37/48/32/711374832.db2.gz MKZWGOCRLOZGKI-UHFFFAOYSA-N 2 2 331.420 1.646 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)n1 ZINC001034957369 711429013 /nfs/dbraw/zinc/42/90/13/711429013.db2.gz QNWAWIHNOGCENB-CQSZACIVSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1nonc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001034958471 711431778 /nfs/dbraw/zinc/43/17/78/711431778.db2.gz INJQMUTVQMWUFN-UKRRQHHQSA-N 2 2 344.419 1.233 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922397361 711472931 /nfs/dbraw/zinc/47/29/31/711472931.db2.gz LCMQYPPVNKDHLZ-HNNXBMFYSA-N 2 2 347.463 1.272 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922397361 711472934 /nfs/dbraw/zinc/47/29/34/711472934.db2.gz LCMQYPPVNKDHLZ-HNNXBMFYSA-N 2 2 347.463 1.272 20 0 EDADLP NC(=O)CC1CC([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000922516284 711635140 /nfs/dbraw/zinc/63/51/40/711635140.db2.gz VNNJAADRIFPUNL-UHFFFAOYSA-N 2 2 347.459 1.141 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004471644 711847932 /nfs/dbraw/zinc/84/79/32/711847932.db2.gz BWXHJQUSHXWTRR-GOSISDBHSA-N 2 2 342.443 1.872 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004471644 711847933 /nfs/dbraw/zinc/84/79/33/711847933.db2.gz BWXHJQUSHXWTRR-GOSISDBHSA-N 2 2 342.443 1.872 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000051758579 214104466 /nfs/dbraw/zinc/10/44/66/214104466.db2.gz DXKBFSZUMYZKMR-HUUCEWRRSA-N 2 2 338.496 1.364 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173760470 231025914 /nfs/dbraw/zinc/02/59/14/231025914.db2.gz JXAATQKTCBUJMR-KRWDZBQOSA-N 2 2 341.459 1.838 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1c(F)cccc1F ZINC000417664274 282174160 /nfs/dbraw/zinc/17/41/60/282174160.db2.gz WKZGOWRFRVRHRY-UGFHNGPFSA-N 2 2 338.402 1.571 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000175046231 231374847 /nfs/dbraw/zinc/37/48/47/231374847.db2.gz QOAJWHGVJGXSEJ-UHFFFAOYSA-N 2 2 334.420 1.563 20 0 EDADLP CC[C@H](C(=O)OC)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000171773899 529627229 /nfs/dbraw/zinc/62/72/29/529627229.db2.gz BSJDJKSAIZLQBB-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP CC[C@H](C(=O)OC)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000171773899 529627234 /nfs/dbraw/zinc/62/72/34/529627234.db2.gz BSJDJKSAIZLQBB-GOSISDBHSA-N 2 2 333.476 1.688 20 0 EDADLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000181041246 529669867 /nfs/dbraw/zinc/66/98/67/529669867.db2.gz TWTWHZKCNPLDRU-ROUUACIJSA-N 2 2 349.450 1.800 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCc1c[nH+]c2n1CCCC2)[NH+]1CCOCC1 ZINC000375955282 282224156 /nfs/dbraw/zinc/22/41/56/282224156.db2.gz VZXXARQDPQTZTM-SFHVURJKSA-N 2 2 348.491 1.973 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000333298296 299100081 /nfs/dbraw/zinc/10/00/81/299100081.db2.gz IPZQBMJFAHGZPJ-NXOAAHMSSA-N 2 2 338.496 1.127 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000181096317 529898968 /nfs/dbraw/zinc/89/89/68/529898968.db2.gz KOLHUSLCBGWWSO-UHFFFAOYSA-N 2 2 336.465 1.993 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000181096317 529898969 /nfs/dbraw/zinc/89/89/69/529898969.db2.gz KOLHUSLCBGWWSO-UHFFFAOYSA-N 2 2 336.465 1.993 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1cccc(O)c1 ZINC000153373546 529903382 /nfs/dbraw/zinc/90/33/82/529903382.db2.gz CDKJEVGWGDMIGC-BQYQJAHWSA-N 2 2 331.460 1.890 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1cccc(O)c1 ZINC000153373546 529903384 /nfs/dbraw/zinc/90/33/84/529903384.db2.gz CDKJEVGWGDMIGC-BQYQJAHWSA-N 2 2 331.460 1.890 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@H+](C)CCn2cc[nH+]c2)cc[nH+]1 ZINC000348178238 282324245 /nfs/dbraw/zinc/32/42/45/282324245.db2.gz LXVKHRYPXMHRCB-CABCVRRESA-N 3 2 347.442 1.288 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[N@@H+](C)CCn2cc[nH+]c2)cc[nH+]1 ZINC000348178238 282324247 /nfs/dbraw/zinc/32/42/47/282324247.db2.gz LXVKHRYPXMHRCB-CABCVRRESA-N 3 2 347.442 1.288 20 0 EDADLP CC[NH+]1CCN(CCC(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000101644386 219150282 /nfs/dbraw/zinc/15/02/82/219150282.db2.gz PCOQLTKTWQSIFM-UHFFFAOYSA-N 2 2 342.447 1.542 20 0 EDADLP CCN1CC[NH+](CCC(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000101644386 219150284 /nfs/dbraw/zinc/15/02/84/219150284.db2.gz PCOQLTKTWQSIFM-UHFFFAOYSA-N 2 2 342.447 1.542 20 0 EDADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)NS(C)(=O)=O ZINC000236755773 539574722 /nfs/dbraw/zinc/57/47/22/539574722.db2.gz ADWVSUVSPIEWGD-MRXNPFEDSA-N 2 2 339.505 1.568 20 0 EDADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NS(C)(=O)=O ZINC000236755773 539574728 /nfs/dbraw/zinc/57/47/28/539574728.db2.gz ADWVSUVSPIEWGD-MRXNPFEDSA-N 2 2 339.505 1.568 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC[NH2+]CC2)cc1 ZINC000561147327 306282656 /nfs/dbraw/zinc/28/26/56/306282656.db2.gz RMXREBLEIQDXGW-GOSISDBHSA-N 2 2 346.475 1.373 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2nccn2c1 ZINC000069155795 215366048 /nfs/dbraw/zinc/36/60/48/215366048.db2.gz ZDWUSSOVLYYVTL-UHFFFAOYSA-N 2 2 329.448 1.432 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2nccn2c1 ZINC000069155795 215366050 /nfs/dbraw/zinc/36/60/50/215366050.db2.gz ZDWUSSOVLYYVTL-UHFFFAOYSA-N 2 2 329.448 1.432 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000069155795 215366051 /nfs/dbraw/zinc/36/60/51/215366051.db2.gz ZDWUSSOVLYYVTL-UHFFFAOYSA-N 3 2 329.448 1.432 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000069155795 215366053 /nfs/dbraw/zinc/36/60/53/215366053.db2.gz ZDWUSSOVLYYVTL-UHFFFAOYSA-N 3 2 329.448 1.432 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)[N@H+](C)C1 ZINC000346834015 539858370 /nfs/dbraw/zinc/85/83/70/539858370.db2.gz SOJQVRSRRAFFAK-RDJZCZTQSA-N 2 2 349.500 1.893 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)[N@@H+](C)C1 ZINC000346834015 539858373 /nfs/dbraw/zinc/85/83/73/539858373.db2.gz SOJQVRSRRAFFAK-RDJZCZTQSA-N 2 2 349.500 1.893 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000563037088 306316425 /nfs/dbraw/zinc/31/64/25/306316425.db2.gz UWXIBMBZYSPVDS-HOCLYGCPSA-N 2 2 345.443 1.100 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000412832275 304038550 /nfs/dbraw/zinc/03/85/50/304038550.db2.gz DBEYDCGPYFSJAX-IAGOWNOFSA-N 2 2 333.501 1.987 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000412832275 304038552 /nfs/dbraw/zinc/03/85/52/304038552.db2.gz DBEYDCGPYFSJAX-IAGOWNOFSA-N 2 2 333.501 1.987 20 0 EDADLP C[C@H]1CCc2ccccc2N1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563202875 306323055 /nfs/dbraw/zinc/32/30/55/306323055.db2.gz HCQKXFNRWMNTOV-DOTOQJQBSA-N 2 2 330.476 1.319 20 0 EDADLP C[C@H]1CCc2ccccc2N1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563202875 306323056 /nfs/dbraw/zinc/32/30/56/306323056.db2.gz HCQKXFNRWMNTOV-DOTOQJQBSA-N 2 2 330.476 1.319 20 0 EDADLP C[C@@H]1CCc2ccccc2N1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563202880 306323080 /nfs/dbraw/zinc/32/30/80/306323080.db2.gz HCQKXFNRWMNTOV-WBVHZDCISA-N 2 2 330.476 1.319 20 0 EDADLP C[C@@H]1CCc2ccccc2N1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563202880 306323081 /nfs/dbraw/zinc/32/30/81/306323081.db2.gz HCQKXFNRWMNTOV-WBVHZDCISA-N 2 2 330.476 1.319 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000563208298 306323667 /nfs/dbraw/zinc/32/36/67/306323667.db2.gz WWRJVXTVTCPMCO-WBVHZDCISA-N 2 2 330.407 1.922 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000276388255 540061198 /nfs/dbraw/zinc/06/11/98/540061198.db2.gz FMZOZFKQYLKHPG-UHFFFAOYSA-N 2 2 328.416 1.491 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCC[NH+]3CCSCC3)nc[nH+]2)C1 ZINC000563305168 306326852 /nfs/dbraw/zinc/32/68/52/306326852.db2.gz HSSIREAEPLLAMO-UONOGXRCSA-N 2 2 337.493 1.144 20 0 EDADLP O=C1C[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)CN1CC[NH+]1CCOCC1 ZINC000181042279 540123850 /nfs/dbraw/zinc/12/38/50/540123850.db2.gz CFILKWDGRKGIDJ-SJLPKXTDSA-N 2 2 347.434 1.336 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000132894905 299235103 /nfs/dbraw/zinc/23/51/03/299235103.db2.gz XDZKUUOWTCNOCT-HOTGVXAUSA-N 2 2 346.475 1.595 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCCC[C@@H]1C ZINC000343608794 291078529 /nfs/dbraw/zinc/07/85/29/291078529.db2.gz VLWPFLYYZSJTDP-IRXDYDNUSA-N 2 2 325.497 1.535 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCCC[C@@H]1C ZINC000343608794 291078531 /nfs/dbraw/zinc/07/85/31/291078531.db2.gz VLWPFLYYZSJTDP-IRXDYDNUSA-N 2 2 325.497 1.535 20 0 EDADLP COc1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1OC(F)F ZINC000563430462 306332721 /nfs/dbraw/zinc/33/27/21/306332721.db2.gz CHKSWBIRQKWISZ-RYUDHWBXSA-N 2 2 341.358 1.040 20 0 EDADLP COc1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1OC(F)F ZINC000563430462 306332722 /nfs/dbraw/zinc/33/27/22/306332722.db2.gz CHKSWBIRQKWISZ-RYUDHWBXSA-N 2 2 341.358 1.040 20 0 EDADLP COc1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1OC(F)F ZINC000563430463 306332796 /nfs/dbraw/zinc/33/27/96/306332796.db2.gz CHKSWBIRQKWISZ-VXGBXAGGSA-N 2 2 341.358 1.040 20 0 EDADLP COc1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1OC(F)F ZINC000563430463 306332797 /nfs/dbraw/zinc/33/27/97/306332797.db2.gz CHKSWBIRQKWISZ-VXGBXAGGSA-N 2 2 341.358 1.040 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1)C[NH+]1CCCC1 ZINC000413065538 304055546 /nfs/dbraw/zinc/05/55/46/304055546.db2.gz GQGSJVICKNUZEL-PMPSAXMXSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@H](CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1)C[NH+]1CCCC1 ZINC000413065538 304055548 /nfs/dbraw/zinc/05/55/48/304055548.db2.gz GQGSJVICKNUZEL-PMPSAXMXSA-N 2 2 333.480 1.828 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)CC1 ZINC000063663102 138168749 /nfs/dbraw/zinc/16/87/49/138168749.db2.gz UTMUUOQROILFBO-UHFFFAOYSA-N 2 2 341.459 1.451 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)CC1 ZINC000063663102 138168752 /nfs/dbraw/zinc/16/87/52/138168752.db2.gz UTMUUOQROILFBO-UHFFFAOYSA-N 2 2 341.459 1.451 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000072701964 138209565 /nfs/dbraw/zinc/20/95/65/138209565.db2.gz BUGOEMLMMYHKRC-CQSZACIVSA-N 2 2 333.432 1.400 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000072701964 138209566 /nfs/dbraw/zinc/20/95/66/138209566.db2.gz BUGOEMLMMYHKRC-CQSZACIVSA-N 2 2 333.432 1.400 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000074192992 138228182 /nfs/dbraw/zinc/22/81/82/138228182.db2.gz NJKKQPXURCVRJD-MRXNPFEDSA-N 2 2 336.480 1.870 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000073599476 138219468 /nfs/dbraw/zinc/21/94/68/138219468.db2.gz DNOPLQVHFXHHDF-XHSDSOJGSA-N 2 2 332.448 1.228 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000073599476 138219469 /nfs/dbraw/zinc/21/94/69/138219469.db2.gz DNOPLQVHFXHHDF-XHSDSOJGSA-N 2 2 332.448 1.228 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000563559132 306338804 /nfs/dbraw/zinc/33/88/04/306338804.db2.gz FCLSJZIOTXXMJA-OAHLLOKOSA-N 2 2 344.463 1.019 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371289898 283202345 /nfs/dbraw/zinc/20/23/45/283202345.db2.gz QJYMFUZYSVSKJO-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371289898 283202349 /nfs/dbraw/zinc/20/23/49/283202349.db2.gz QJYMFUZYSVSKJO-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090684172 138280696 /nfs/dbraw/zinc/28/06/96/138280696.db2.gz LJUNHMVJUXACTR-IAGOWNOFSA-N 2 2 349.479 1.476 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090684172 138280697 /nfs/dbraw/zinc/28/06/97/138280697.db2.gz LJUNHMVJUXACTR-IAGOWNOFSA-N 2 2 349.479 1.476 20 0 EDADLP [NH3+]C1CCC(OCC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000563620012 306342380 /nfs/dbraw/zinc/34/23/80/306342380.db2.gz IASMHZTXTBVUSX-UHFFFAOYSA-N 2 2 332.448 1.585 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH+]cn1 ZINC000563663842 306344077 /nfs/dbraw/zinc/34/40/77/306344077.db2.gz LYTCYMIAGIGBMZ-XHSDSOJGSA-N 2 2 331.464 1.264 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc[nH+]1 ZINC000563663842 306344078 /nfs/dbraw/zinc/34/40/78/306344078.db2.gz LYTCYMIAGIGBMZ-XHSDSOJGSA-N 2 2 331.464 1.264 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000563856346 306349984 /nfs/dbraw/zinc/34/99/84/306349984.db2.gz WWKSWHLHHPITJZ-GDBMZVCRSA-N 2 2 326.437 1.502 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000563856346 306349985 /nfs/dbraw/zinc/34/99/85/306349985.db2.gz WWKSWHLHHPITJZ-GDBMZVCRSA-N 2 2 326.437 1.502 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000563856346 306349986 /nfs/dbraw/zinc/34/99/86/306349986.db2.gz WWKSWHLHHPITJZ-GDBMZVCRSA-N 2 2 326.437 1.502 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000563856346 306349987 /nfs/dbraw/zinc/34/99/87/306349987.db2.gz WWKSWHLHHPITJZ-GDBMZVCRSA-N 2 2 326.437 1.502 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000187486613 236223843 /nfs/dbraw/zinc/22/38/43/236223843.db2.gz CMTUORCSOZJDLU-OAHLLOKOSA-N 2 2 349.479 1.370 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000187486613 236223845 /nfs/dbraw/zinc/22/38/45/236223845.db2.gz CMTUORCSOZJDLU-OAHLLOKOSA-N 2 2 349.479 1.370 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC000361722979 283398222 /nfs/dbraw/zinc/39/82/22/283398222.db2.gz ICQNVOSCOPIKRB-UHFFFAOYSA-N 2 2 335.451 1.827 20 0 EDADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)n1 ZINC000564799813 306365481 /nfs/dbraw/zinc/36/54/81/306365481.db2.gz PPYWJLYOXABNQH-GFCCVEGCSA-N 2 2 341.419 1.686 20 0 EDADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)n1 ZINC000564799813 306365482 /nfs/dbraw/zinc/36/54/82/306365482.db2.gz PPYWJLYOXABNQH-GFCCVEGCSA-N 2 2 341.419 1.686 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414049549 304098778 /nfs/dbraw/zinc/09/87/78/304098778.db2.gz IAMVWLFQMHTDHD-UHFFFAOYSA-N 2 2 344.459 1.914 20 0 EDADLP CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1(CC)CC ZINC000565706158 306389069 /nfs/dbraw/zinc/38/90/69/306389069.db2.gz WWBSCWGVXMXBBE-RRFJBIMHSA-N 2 2 326.485 1.255 20 0 EDADLP CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1(CC)CC ZINC000565706158 306389070 /nfs/dbraw/zinc/38/90/70/306389070.db2.gz WWBSCWGVXMXBBE-RRFJBIMHSA-N 2 2 326.485 1.255 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C(=O)N1c1ccccc1 ZINC000414356441 304110888 /nfs/dbraw/zinc/11/08/88/304110888.db2.gz DUDBKOWHDFPTHW-CZUORRHYSA-N 2 2 327.432 1.770 20 0 EDADLP CCc1ncc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414358872 304111346 /nfs/dbraw/zinc/11/13/46/304111346.db2.gz MUFLRDMNWAWKKM-LJQANCHMSA-N 2 2 326.444 1.766 20 0 EDADLP CCc1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414358872 304111347 /nfs/dbraw/zinc/11/13/47/304111347.db2.gz MUFLRDMNWAWKKM-LJQANCHMSA-N 2 2 326.444 1.766 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000566017595 306396697 /nfs/dbraw/zinc/39/66/97/306396697.db2.gz DTZLUOALOMDXDI-NVXWUHKLSA-N 2 2 325.497 1.270 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000566017595 306396698 /nfs/dbraw/zinc/39/66/98/306396698.db2.gz DTZLUOALOMDXDI-NVXWUHKLSA-N 2 2 325.497 1.270 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cccnc1 ZINC000378361669 296064977 /nfs/dbraw/zinc/06/49/77/296064977.db2.gz TUMBKHVUPJMIHB-JKSUJKDBSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cccnc1 ZINC000378361669 296064979 /nfs/dbraw/zinc/06/49/79/296064979.db2.gz TUMBKHVUPJMIHB-JKSUJKDBSA-N 2 2 345.491 1.953 20 0 EDADLP COC[C@@]1(CNC(=O)CCn2c(C)[nH+]c3ccccc32)CCC[NH2+]1 ZINC000566204841 306403718 /nfs/dbraw/zinc/40/37/18/306403718.db2.gz JUWOBDYAYSLEPG-SFHVURJKSA-N 2 2 330.432 1.620 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H]([C@H](C)O)C2)CC1 ZINC000414593713 304124915 /nfs/dbraw/zinc/12/49/15/304124915.db2.gz RDXFPJYDBBUYBK-QFBILLFUSA-N 2 2 333.476 1.410 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H]([C@H](C)O)C2)CC1 ZINC000414593713 304124917 /nfs/dbraw/zinc/12/49/17/304124917.db2.gz RDXFPJYDBBUYBK-QFBILLFUSA-N 2 2 333.476 1.410 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333551086 284122366 /nfs/dbraw/zinc/12/23/66/284122366.db2.gz KGDDUMCKWTXDAS-XHSDSOJGSA-N 2 2 331.464 1.762 20 0 EDADLP CNc1nc(NC[C@@H](O)C[NH+]2CCC(C)CC2)[nH+]c2ccccc21 ZINC000566778353 306428035 /nfs/dbraw/zinc/42/80/35/306428035.db2.gz XGHRNDSMEWTXDU-CQSZACIVSA-N 2 2 329.448 1.020 20 0 EDADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415092259 304158569 /nfs/dbraw/zinc/15/85/69/304158569.db2.gz FUPRKOJURTWRSN-TZMCWYRMSA-N 2 2 325.840 1.944 20 0 EDADLP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415098254 304159739 /nfs/dbraw/zinc/15/97/39/304159739.db2.gz VHUGJDPSHOTCHK-LSDHHAIUSA-N 2 2 345.443 1.419 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](CCO)C(C)C)CC1 ZINC000078696411 217104597 /nfs/dbraw/zinc/10/45/97/217104597.db2.gz XTJDSMVELAZGBD-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](CCO)C(C)C)CC1 ZINC000078696411 217104601 /nfs/dbraw/zinc/10/46/01/217104601.db2.gz XTJDSMVELAZGBD-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000236663791 139027896 /nfs/dbraw/zinc/02/78/96/139027896.db2.gz XXZRGDYOEANYLM-HNNXBMFYSA-N 2 2 333.480 1.930 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000237008267 139037950 /nfs/dbraw/zinc/03/79/50/139037950.db2.gz ZGBWHNPDTHXZLR-KSSFIOAISA-N 2 2 349.475 1.721 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1csc(C[NH3+])n1)c1c(F)cccc1F ZINC000237152456 139042299 /nfs/dbraw/zinc/04/22/99/139042299.db2.gz HCJBUURVSOXUAT-LBPRGKRZSA-N 2 2 340.399 1.913 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000079457019 217227437 /nfs/dbraw/zinc/22/74/37/217227437.db2.gz IRZISZGDTBMACR-KRWDZBQOSA-N 2 2 343.475 1.393 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000079457019 217227440 /nfs/dbraw/zinc/22/74/40/217227440.db2.gz IRZISZGDTBMACR-KRWDZBQOSA-N 2 2 343.475 1.393 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000237277655 139046345 /nfs/dbraw/zinc/04/63/45/139046345.db2.gz LEMZUZSUDBRZCY-GXTWGEPZSA-N 2 2 338.477 1.003 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000237334136 139048259 /nfs/dbraw/zinc/04/82/59/139048259.db2.gz SRTNFPAQWVPNPN-INIZCTEOSA-N 2 2 336.505 1.453 20 0 EDADLP O=C(Nc1ccccc1-n1cc[nH+]c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237943463 139064574 /nfs/dbraw/zinc/06/45/74/139064574.db2.gz YOZXRTMBYMMUBV-UHFFFAOYSA-N 2 2 337.387 1.641 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000238056199 139067779 /nfs/dbraw/zinc/06/77/79/139067779.db2.gz XDTAKCINBRSJAW-SJORKVTESA-N 2 2 349.500 1.271 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238097008 139068979 /nfs/dbraw/zinc/06/89/79/139068979.db2.gz XDARCJKZHMUSEV-QGZVFWFLSA-N 2 2 341.480 1.937 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238097008 139068980 /nfs/dbraw/zinc/06/89/80/139068980.db2.gz XDARCJKZHMUSEV-QGZVFWFLSA-N 2 2 341.480 1.937 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000246470324 139109676 /nfs/dbraw/zinc/10/96/76/139109676.db2.gz ZRJBASOTFYZFLN-NSISKUIASA-N 2 2 329.488 1.960 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000246470324 139109677 /nfs/dbraw/zinc/10/96/77/139109677.db2.gz ZRJBASOTFYZFLN-NSISKUIASA-N 2 2 329.488 1.960 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000246470324 139109678 /nfs/dbraw/zinc/10/96/78/139109678.db2.gz ZRJBASOTFYZFLN-NSISKUIASA-N 2 2 329.488 1.960 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000246470324 139109679 /nfs/dbraw/zinc/10/96/79/139109679.db2.gz ZRJBASOTFYZFLN-NSISKUIASA-N 2 2 329.488 1.960 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000247183352 139139581 /nfs/dbraw/zinc/13/95/81/139139581.db2.gz VHUNRLNWQFZXOM-FUHWJXTLSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000247183352 139139582 /nfs/dbraw/zinc/13/95/82/139139582.db2.gz VHUNRLNWQFZXOM-FUHWJXTLSA-N 3 2 331.508 1.653 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000247965667 139156293 /nfs/dbraw/zinc/15/62/93/139156293.db2.gz QDUABOXAFUCIHY-JKSUJKDBSA-N 2 2 332.448 1.230 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000247965667 139156294 /nfs/dbraw/zinc/15/62/94/139156294.db2.gz QDUABOXAFUCIHY-JKSUJKDBSA-N 2 2 332.448 1.230 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)[N@H+](C)C1 ZINC000346697929 250045346 /nfs/dbraw/zinc/04/53/46/250045346.db2.gz IDQWYESWLPONIK-CABCVRRESA-N 2 2 329.404 1.058 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)[N@@H+](C)C1 ZINC000346697929 250045349 /nfs/dbraw/zinc/04/53/49/250045349.db2.gz IDQWYESWLPONIK-CABCVRRESA-N 2 2 329.404 1.058 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249857799 139199401 /nfs/dbraw/zinc/19/94/01/139199401.db2.gz DUCMESCGBLNTOT-KGLIPLIRSA-N 2 2 347.463 1.828 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249857799 139199402 /nfs/dbraw/zinc/19/94/02/139199402.db2.gz DUCMESCGBLNTOT-KGLIPLIRSA-N 2 2 347.463 1.828 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000261602608 139209936 /nfs/dbraw/zinc/20/99/36/139209936.db2.gz ANIVNJPRCOIKGZ-SJLPKXTDSA-N 2 2 335.423 1.396 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000261602608 139209937 /nfs/dbraw/zinc/20/99/37/139209937.db2.gz ANIVNJPRCOIKGZ-SJLPKXTDSA-N 2 2 335.423 1.396 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261624284 139212212 /nfs/dbraw/zinc/21/22/12/139212212.db2.gz BDNZGNLATKNZKZ-KURKYZTESA-N 2 2 331.460 1.551 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000261618358 139211553 /nfs/dbraw/zinc/21/15/53/139211553.db2.gz CZILTFYOCBVODI-KRWDZBQOSA-N 2 2 336.505 1.063 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000261618358 139211554 /nfs/dbraw/zinc/21/15/54/139211554.db2.gz CZILTFYOCBVODI-KRWDZBQOSA-N 2 2 336.505 1.063 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000261618358 139211555 /nfs/dbraw/zinc/21/15/55/139211555.db2.gz CZILTFYOCBVODI-KRWDZBQOSA-N 3 2 336.505 1.063 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000261618358 139211556 /nfs/dbraw/zinc/21/15/56/139211556.db2.gz CZILTFYOCBVODI-KRWDZBQOSA-N 3 2 336.505 1.063 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261643741 139213792 /nfs/dbraw/zinc/21/37/92/139213792.db2.gz GNBRIISGDKPMGC-SFHVURJKSA-N 2 2 335.448 1.251 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261643741 139213793 /nfs/dbraw/zinc/21/37/93/139213793.db2.gz GNBRIISGDKPMGC-SFHVURJKSA-N 2 2 335.448 1.251 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCOCC1 ZINC000261705287 139219273 /nfs/dbraw/zinc/21/92/73/139219273.db2.gz IKFZZULHFVGJTE-QGZVFWFLSA-N 2 2 328.416 1.302 20 0 EDADLP CCc1ncc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)s1 ZINC000261719176 139220169 /nfs/dbraw/zinc/22/01/69/139220169.db2.gz KQHDXDAUBRGICX-UHFFFAOYSA-N 2 2 332.477 1.780 20 0 EDADLP c1cc(-c2noc([C@@H]3C[NH2+]CCO3)n2)ccc1C[NH+]1CCOCC1 ZINC000261772930 139224767 /nfs/dbraw/zinc/22/47/67/139224767.db2.gz NFQILQZQVGEVRN-HNNXBMFYSA-N 2 2 330.388 1.230 20 0 EDADLP C[C@]1(C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC[NH2+]C1 ZINC000261902847 139235318 /nfs/dbraw/zinc/23/53/18/139235318.db2.gz WLYNCNMAQVWMCZ-QUCCMNQESA-N 2 2 342.487 1.409 20 0 EDADLP C[C@]1(CN2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC[NH2+]C1 ZINC000261902847 139235319 /nfs/dbraw/zinc/23/53/19/139235319.db2.gz WLYNCNMAQVWMCZ-QUCCMNQESA-N 2 2 342.487 1.409 20 0 EDADLP CC(C)c1noc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261902378 139235464 /nfs/dbraw/zinc/23/54/64/139235464.db2.gz RVGVRNUSVNLJRT-RRFJBIMHSA-N 2 2 349.479 1.834 20 0 EDADLP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261902378 139235465 /nfs/dbraw/zinc/23/54/65/139235465.db2.gz RVGVRNUSVNLJRT-RRFJBIMHSA-N 2 2 349.479 1.834 20 0 EDADLP C[C@]1(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)CC[NH2+]C1 ZINC000261975323 139241167 /nfs/dbraw/zinc/24/11/67/139241167.db2.gz IRVBRQMPFUKXIB-SFHVURJKSA-N 2 2 334.439 1.381 20 0 EDADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261978092 139241338 /nfs/dbraw/zinc/24/13/38/139241338.db2.gz NWFJVLPBEOPSHG-SUMWQHHRSA-N 2 2 343.406 1.412 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)c[nH+]2)CCO1 ZINC000261979213 139241439 /nfs/dbraw/zinc/24/14/39/139241439.db2.gz WBUDZKHVXCVSAB-GDBMZVCRSA-N 2 2 344.459 1.313 20 0 EDADLP [NH3+][C@@H](C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CCOCC1 ZINC000261991303 139242254 /nfs/dbraw/zinc/24/22/54/139242254.db2.gz MVVHNXZOSRBQMT-GOSISDBHSA-N 2 2 342.443 1.344 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000262305873 139268538 /nfs/dbraw/zinc/26/85/38/139268538.db2.gz CGFVXURBVCTTDY-ZBFHGGJFSA-N 2 2 332.379 1.143 20 0 EDADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416993484 251121561 /nfs/dbraw/zinc/12/15/61/251121561.db2.gz MHAOCTAOMVNFLV-LSDHHAIUSA-N 2 2 327.432 1.823 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)C1CCCC1 ZINC000416991754 251121580 /nfs/dbraw/zinc/12/15/80/251121580.db2.gz YMDKNQRDUCYEQM-INIZCTEOSA-N 2 2 347.463 1.235 20 0 EDADLP CN(CC[NH3+])C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000416989325 251119021 /nfs/dbraw/zinc/11/90/21/251119021.db2.gz DKDRQUUOVWAOBY-UHFFFAOYSA-N 2 2 339.443 1.744 20 0 EDADLP CN(C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)C1CC[NH2+]CC1 ZINC000417664929 251218518 /nfs/dbraw/zinc/21/85/18/251218518.db2.gz XWJRXKXHIDYWID-HNNXBMFYSA-N 2 2 340.418 1.961 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417739608 251251243 /nfs/dbraw/zinc/25/12/43/251251243.db2.gz QHRIMGJSSWWVFI-CYBMUJFWSA-N 2 2 329.395 1.516 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000417829616 251288633 /nfs/dbraw/zinc/28/86/33/251288633.db2.gz AHIOZTAYUZXDJD-INIZCTEOSA-N 2 2 327.432 1.629 20 0 EDADLP Cc1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n(C)n1 ZINC000417788350 251271782 /nfs/dbraw/zinc/27/17/82/251271782.db2.gz LWKQJRQOWJEMHJ-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1cc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n(C)n1 ZINC000417788350 251271785 /nfs/dbraw/zinc/27/17/85/251271785.db2.gz LWKQJRQOWJEMHJ-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP CCn1c[nH+]cc1CN(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000417990716 251319329 /nfs/dbraw/zinc/31/93/29/251319329.db2.gz KMSAOBQPEWPADO-LJQANCHMSA-N 2 2 328.460 1.972 20 0 EDADLP CCn1c[nH+]cc1CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000417990716 251319333 /nfs/dbraw/zinc/31/93/33/251319333.db2.gz KMSAOBQPEWPADO-LJQANCHMSA-N 2 2 328.460 1.972 20 0 EDADLP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418729086 251399838 /nfs/dbraw/zinc/39/98/38/251399838.db2.gz NTCMABTWCSEBJI-AWEZNQCLSA-N 2 2 332.439 1.782 20 0 EDADLP CCCNC(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422889785 252012489 /nfs/dbraw/zinc/01/24/89/252012489.db2.gz GUIBHRQLPSRGJS-ZWKOTPCHSA-N 2 2 331.460 1.683 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422891578 252013250 /nfs/dbraw/zinc/01/32/50/252013250.db2.gz KRXHJTPWPFWMQJ-YLJYHZDGSA-N 3 2 330.520 1.912 20 0 EDADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422857658 252001787 /nfs/dbraw/zinc/00/17/87/252001787.db2.gz HHXJYEGNUZCNEZ-GDBMZVCRSA-N 2 2 327.494 1.206 20 0 EDADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422857660 252001869 /nfs/dbraw/zinc/00/18/69/252001869.db2.gz HHXJYEGNUZCNEZ-HOCLYGCPSA-N 2 2 327.494 1.206 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000423864386 252095261 /nfs/dbraw/zinc/09/52/61/252095261.db2.gz JIZOPSQDENJDLN-GOSISDBHSA-N 2 2 329.444 1.473 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000423864386 252095264 /nfs/dbraw/zinc/09/52/64/252095264.db2.gz JIZOPSQDENJDLN-GOSISDBHSA-N 2 2 329.444 1.473 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H](C)C2C[NH2+]C2)[C@H](C)C1 ZINC000423865096 252095554 /nfs/dbraw/zinc/09/55/54/252095554.db2.gz ZXDDQCPGIHDLRX-HZPDHXFCSA-N 2 2 345.487 1.974 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H](C)C2C[NH2+]C2)[C@H](C)C1 ZINC000423865096 252095557 /nfs/dbraw/zinc/09/55/57/252095557.db2.gz ZXDDQCPGIHDLRX-HZPDHXFCSA-N 2 2 345.487 1.974 20 0 EDADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000423799583 252081489 /nfs/dbraw/zinc/08/14/89/252081489.db2.gz KQPGYNVVDRCWJZ-WBVHZDCISA-N 2 2 349.438 1.828 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000424436346 252229737 /nfs/dbraw/zinc/22/97/37/252229737.db2.gz MIBHOHMPWIUCIG-UHFFFAOYSA-N 3 2 347.507 1.943 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000424436346 252229740 /nfs/dbraw/zinc/22/97/40/252229740.db2.gz MIBHOHMPWIUCIG-UHFFFAOYSA-N 3 2 347.507 1.943 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000262997436 139316695 /nfs/dbraw/zinc/31/66/95/139316695.db2.gz OKGKKOXUOCQQIN-AEFFLSMTSA-N 2 2 334.464 1.843 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000425423849 252306456 /nfs/dbraw/zinc/30/64/56/252306456.db2.gz MHIBECNSQIQUAD-UHFFFAOYSA-N 2 2 337.468 1.334 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263098524 139322170 /nfs/dbraw/zinc/32/21/70/139322170.db2.gz ZEQVWIFGCCORCX-ZDUSSCGKSA-N 2 2 331.407 1.135 20 0 EDADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263307446 139334789 /nfs/dbraw/zinc/33/47/89/139334789.db2.gz YATVXJSOCJBSEM-CRAIPNDOSA-N 2 2 343.427 1.339 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)NCc1cccs1)C[C@@H]1CCC[NH+](C)C1 ZINC000112657060 220367335 /nfs/dbraw/zinc/36/73/35/220367335.db2.gz KKVMUPTYADORAG-CYBMUJFWSA-N 2 2 338.477 1.348 20 0 EDADLP C[N@H+](CC(=O)NC(=O)NCc1cccs1)C[C@@H]1CCC[NH+](C)C1 ZINC000112657060 220367338 /nfs/dbraw/zinc/36/73/38/220367338.db2.gz KKVMUPTYADORAG-CYBMUJFWSA-N 2 2 338.477 1.348 20 0 EDADLP C[NH+](CC(=O)NC(=O)NCc1cccs1)C[C@@H]1CCC[N@H+](C)C1 ZINC000112657060 220367342 /nfs/dbraw/zinc/36/73/42/220367342.db2.gz KKVMUPTYADORAG-CYBMUJFWSA-N 2 2 338.477 1.348 20 0 EDADLP C[NH+](CC(=O)NC(=O)NCc1cccs1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112657060 220367346 /nfs/dbraw/zinc/36/73/46/220367346.db2.gz KKVMUPTYADORAG-CYBMUJFWSA-N 2 2 338.477 1.348 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3O[C@H](C)C[C@@H]3C)CC2)CC1 ZINC000422008558 285187456 /nfs/dbraw/zinc/18/74/56/285187456.db2.gz ACNBYTYASZEJHY-LZLYRXPVSA-N 2 2 337.508 1.819 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3O[C@H](C)C[C@@H]3C)CC2)CC1 ZINC000422008558 285187457 /nfs/dbraw/zinc/18/74/57/285187457.db2.gz ACNBYTYASZEJHY-LZLYRXPVSA-N 2 2 337.508 1.819 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459786781 255000791 /nfs/dbraw/zinc/00/07/91/255000791.db2.gz PKBQRGXGJJLHPP-INIZCTEOSA-N 3 2 325.497 1.726 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459786781 255000793 /nfs/dbraw/zinc/00/07/93/255000793.db2.gz PKBQRGXGJJLHPP-INIZCTEOSA-N 3 2 325.497 1.726 20 0 EDADLP CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000459785080 255001099 /nfs/dbraw/zinc/00/10/99/255001099.db2.gz YMZKVLNUMKJRBC-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)/C=C/C[NH+](C)C)on1 ZINC000491982102 255157357 /nfs/dbraw/zinc/15/73/57/255157357.db2.gz JAEWOPYEBNXGJB-WHJWBVKISA-N 2 2 338.427 1.472 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000493468772 255210388 /nfs/dbraw/zinc/21/03/88/255210388.db2.gz RKELEUUDLOCRBY-MJRGOJFPSA-N 2 2 326.400 1.176 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000493468772 255210389 /nfs/dbraw/zinc/21/03/89/255210389.db2.gz RKELEUUDLOCRBY-MJRGOJFPSA-N 2 2 326.400 1.176 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000493194694 255195610 /nfs/dbraw/zinc/19/56/10/255195610.db2.gz GYNDVGZPKQRSNF-FOSCPCJNSA-N 2 2 332.448 1.628 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000493194694 255195611 /nfs/dbraw/zinc/19/56/11/255195611.db2.gz GYNDVGZPKQRSNF-FOSCPCJNSA-N 2 2 332.448 1.628 20 0 EDADLP COCC[NH+](CCOC)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493293361 255202106 /nfs/dbraw/zinc/20/21/06/255202106.db2.gz PNSGEHRFVFDZFY-ARJAWSKDSA-N 2 2 336.436 1.009 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000494667102 255256773 /nfs/dbraw/zinc/25/67/73/255256773.db2.gz IOMDROOYYNZFTC-OAHLLOKOSA-N 2 2 335.452 1.294 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000494667102 255256774 /nfs/dbraw/zinc/25/67/74/255256774.db2.gz IOMDROOYYNZFTC-OAHLLOKOSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cn[nH]c1 ZINC000494709291 255259009 /nfs/dbraw/zinc/25/90/09/255259009.db2.gz NOQRRAKNJWADJN-KGLIPLIRSA-N 2 2 328.420 1.193 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496390509 255391026 /nfs/dbraw/zinc/39/10/26/255391026.db2.gz AEZYWXLKKBXTRU-HIFRSBDPSA-N 2 2 327.469 1.431 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496390509 255391027 /nfs/dbraw/zinc/39/10/27/255391027.db2.gz AEZYWXLKKBXTRU-HIFRSBDPSA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496390509 255391028 /nfs/dbraw/zinc/39/10/28/255391028.db2.gz AEZYWXLKKBXTRU-HIFRSBDPSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000119354992 221302782 /nfs/dbraw/zinc/30/27/82/221302782.db2.gz QTGIWVPVZDRQJG-AWEZNQCLSA-N 2 2 328.501 1.373 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000119693395 221379463 /nfs/dbraw/zinc/37/94/63/221379463.db2.gz UKEIDTLTWCNNOP-CYBMUJFWSA-N 2 2 337.489 1.872 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000119760610 221394723 /nfs/dbraw/zinc/39/47/23/221394723.db2.gz DYKSFCIHEXFZEQ-KBPBESRZSA-N 2 2 333.432 1.619 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181076542 533230792 /nfs/dbraw/zinc/23/07/92/533230792.db2.gz JCWSHYKPSAKBFD-AWEZNQCLSA-N 2 2 329.404 1.942 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181076542 533230798 /nfs/dbraw/zinc/23/07/98/533230798.db2.gz JCWSHYKPSAKBFD-AWEZNQCLSA-N 2 2 329.404 1.942 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262264446 285386362 /nfs/dbraw/zinc/38/63/62/285386362.db2.gz JTCZWRUKIBDFQK-IHRRRGAJSA-N 2 2 329.803 1.314 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262264446 285386364 /nfs/dbraw/zinc/38/63/64/285386364.db2.gz JTCZWRUKIBDFQK-IHRRRGAJSA-N 2 2 329.803 1.314 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174896223 533244435 /nfs/dbraw/zinc/24/44/35/533244435.db2.gz ZAWDNPNXZKTPKL-WMZOPIPTSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174896223 533244440 /nfs/dbraw/zinc/24/44/40/533244440.db2.gz ZAWDNPNXZKTPKL-WMZOPIPTSA-N 2 2 336.524 1.536 20 0 EDADLP COc1c(Br)cccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000187335011 533384911 /nfs/dbraw/zinc/38/49/11/533384911.db2.gz YJOIFDWULBZXRC-AWEZNQCLSA-N 2 2 331.254 1.860 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCSCC1 ZINC000171628173 533321096 /nfs/dbraw/zinc/32/10/96/533321096.db2.gz AIMBYHBTPCUZCM-HNNXBMFYSA-N 2 2 349.500 1.895 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000163951686 533602806 /nfs/dbraw/zinc/60/28/06/533602806.db2.gz PRDQDDUXVUVRQA-OAHLLOKOSA-N 2 2 347.488 1.059 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000271088535 140234445 /nfs/dbraw/zinc/23/44/45/140234445.db2.gz HNKLLWZIVVFVJL-HNNXBMFYSA-N 2 2 332.448 1.266 20 0 EDADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000271139163 140244315 /nfs/dbraw/zinc/24/43/15/140244315.db2.gz OOXNJWTXNNWLII-BBRMVZONSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000271139163 140244316 /nfs/dbraw/zinc/24/43/16/140244316.db2.gz OOXNJWTXNNWLII-BBRMVZONSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000271139163 140244317 /nfs/dbraw/zinc/24/43/17/140244317.db2.gz OOXNJWTXNNWLII-BBRMVZONSA-N 2 2 344.415 1.131 20 0 EDADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000271139163 140244318 /nfs/dbraw/zinc/24/43/18/140244318.db2.gz OOXNJWTXNNWLII-BBRMVZONSA-N 2 2 344.415 1.131 20 0 EDADLP Nc1nc(-n2cccn2)cc(NCC2([NH+]3CCCC3)CCOCC2)[nH+]1 ZINC000271324257 140278398 /nfs/dbraw/zinc/27/83/98/140278398.db2.gz PKDQAYVAZZZPJB-UHFFFAOYSA-N 2 2 343.435 1.301 20 0 EDADLP C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000271440263 140296082 /nfs/dbraw/zinc/29/60/82/140296082.db2.gz RTRJQHWAZYYWGP-MISYRCLQSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000271440263 140296084 /nfs/dbraw/zinc/29/60/84/140296084.db2.gz RTRJQHWAZYYWGP-MISYRCLQSA-N 2 2 329.488 1.913 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416310450 304308291 /nfs/dbraw/zinc/30/82/91/304308291.db2.gz NVDMEWYTXRMCMA-HUUCEWRRSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416310450 304308292 /nfs/dbraw/zinc/30/82/92/304308292.db2.gz NVDMEWYTXRMCMA-HUUCEWRRSA-N 2 2 344.459 1.512 20 0 EDADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000572005319 306579572 /nfs/dbraw/zinc/57/95/72/306579572.db2.gz VGPDTVPPDWDITB-INIZCTEOSA-N 2 2 345.472 1.842 20 0 EDADLP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331961042 141103448 /nfs/dbraw/zinc/10/34/48/141103448.db2.gz UWLMHLVCZLWPAN-OAHLLOKOSA-N 2 2 327.432 1.878 20 0 EDADLP COC(=O)c1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000332374206 141170938 /nfs/dbraw/zinc/17/09/38/141170938.db2.gz CJALBPBFBJERQD-ZDUSSCGKSA-N 2 2 348.447 1.042 20 0 EDADLP COC(=O)c1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000332374206 141170939 /nfs/dbraw/zinc/17/09/39/141170939.db2.gz CJALBPBFBJERQD-ZDUSSCGKSA-N 2 2 348.447 1.042 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000332559068 141203148 /nfs/dbraw/zinc/20/31/48/141203148.db2.gz VCXWXKUUZXUZBU-SOLBZPMBSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000332559068 141203150 /nfs/dbraw/zinc/20/31/50/141203150.db2.gz VCXWXKUUZXUZBU-SOLBZPMBSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1C ZINC000332563748 141203955 /nfs/dbraw/zinc/20/39/55/141203955.db2.gz YFGZRYFIHBMYNP-RDJZCZTQSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1C ZINC000332563748 141203956 /nfs/dbraw/zinc/20/39/56/141203956.db2.gz YFGZRYFIHBMYNP-RDJZCZTQSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000332637438 141220460 /nfs/dbraw/zinc/22/04/60/141220460.db2.gz TVNYKGXAIUAFJJ-UHFFFAOYSA-N 2 2 349.479 1.400 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000332637438 141220462 /nfs/dbraw/zinc/22/04/62/141220462.db2.gz TVNYKGXAIUAFJJ-UHFFFAOYSA-N 2 2 349.479 1.400 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000333415470 141314356 /nfs/dbraw/zinc/31/43/56/141314356.db2.gz HFYLALYNZRBYQF-ZBFHGGJFSA-N 2 2 332.448 1.520 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000333415470 141314358 /nfs/dbraw/zinc/31/43/58/141314358.db2.gz HFYLALYNZRBYQF-ZBFHGGJFSA-N 2 2 332.448 1.520 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333501156 141327610 /nfs/dbraw/zinc/32/76/10/141327610.db2.gz FLPNYQUYEYPRQM-ACJLOTCBSA-N 2 2 348.422 1.938 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333501156 141327611 /nfs/dbraw/zinc/32/76/11/141327611.db2.gz FLPNYQUYEYPRQM-ACJLOTCBSA-N 2 2 348.422 1.938 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000333652791 141350930 /nfs/dbraw/zinc/35/09/30/141350930.db2.gz KCDUSBXWCBYQFZ-CQSZACIVSA-N 2 2 337.493 1.421 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000333652791 141350932 /nfs/dbraw/zinc/35/09/32/141350932.db2.gz KCDUSBXWCBYQFZ-CQSZACIVSA-N 2 2 337.493 1.421 20 0 EDADLP C[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@H+](C2CC2)C1 ZINC000333678825 141355399 /nfs/dbraw/zinc/35/53/99/141355399.db2.gz KSKUQZZZAFKEBO-CVEARBPZSA-N 2 2 345.491 1.606 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c[nH+]2)CC1 ZINC000333926108 141411303 /nfs/dbraw/zinc/41/13/03/141411303.db2.gz VDZZQRMHJRJCDJ-CALCHBBNSA-N 2 2 343.475 1.679 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000572246988 306584436 /nfs/dbraw/zinc/58/44/36/306584436.db2.gz POZPJSAWEYPIQQ-GOSISDBHSA-N 2 2 336.451 1.556 20 0 EDADLP [NH3+]C1(CNC(=O)NCCCn2cc[nH+]c2)C2CC3CC(C2)CC1C3 ZINC000416443041 304318607 /nfs/dbraw/zinc/31/86/07/304318607.db2.gz GLTKFORBBFENCH-UHFFFAOYSA-N 2 2 331.464 1.726 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000339278952 142002168 /nfs/dbraw/zinc/00/21/68/142002168.db2.gz LOFMUGWTTLEHIM-ZIFCJYIRSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000339278952 142002170 /nfs/dbraw/zinc/00/21/70/142002170.db2.gz LOFMUGWTTLEHIM-ZIFCJYIRSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000339278952 142002173 /nfs/dbraw/zinc/00/21/73/142002173.db2.gz LOFMUGWTTLEHIM-ZIFCJYIRSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000339278952 142002176 /nfs/dbraw/zinc/00/21/76/142002176.db2.gz LOFMUGWTTLEHIM-ZIFCJYIRSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000339573557 142081189 /nfs/dbraw/zinc/08/11/89/142081189.db2.gz LVXROZYFWFBPCZ-JKSUJKDBSA-N 2 2 331.460 1.475 20 0 EDADLP C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000339573557 142081190 /nfs/dbraw/zinc/08/11/90/142081190.db2.gz LVXROZYFWFBPCZ-JKSUJKDBSA-N 2 2 331.460 1.475 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)C[C@@H]1c1ccccc1 ZINC000340236998 142315747 /nfs/dbraw/zinc/31/57/47/142315747.db2.gz MLHDECMJGDCBBP-IPMKNSEASA-N 3 2 344.503 1.751 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)C[C@@H]1c1ccccc1 ZINC000340236998 142315748 /nfs/dbraw/zinc/31/57/48/142315748.db2.gz MLHDECMJGDCBBP-IPMKNSEASA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C[C@@H]1c1ccccc1 ZINC000340236998 142315749 /nfs/dbraw/zinc/31/57/49/142315749.db2.gz MLHDECMJGDCBBP-IPMKNSEASA-N 3 2 344.503 1.751 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C[C@@H]1c1ccccc1 ZINC000340236998 142315750 /nfs/dbraw/zinc/31/57/50/142315750.db2.gz MLHDECMJGDCBBP-IPMKNSEASA-N 3 2 344.503 1.751 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000340264112 142324254 /nfs/dbraw/zinc/32/42/54/142324254.db2.gz LELWZRGAQXQSNR-ZWKOTPCHSA-N 2 2 331.460 1.176 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000340264112 142324255 /nfs/dbraw/zinc/32/42/55/142324255.db2.gz LELWZRGAQXQSNR-ZWKOTPCHSA-N 2 2 331.460 1.176 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000340275460 142327518 /nfs/dbraw/zinc/32/75/18/142327518.db2.gz COOFPRDGXDMXOD-SFHVURJKSA-N 2 2 336.524 1.489 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000340275460 142327520 /nfs/dbraw/zinc/32/75/20/142327520.db2.gz COOFPRDGXDMXOD-SFHVURJKSA-N 2 2 336.524 1.489 20 0 EDADLP CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000344701112 143000449 /nfs/dbraw/zinc/00/04/49/143000449.db2.gz CZPRXOUQACAIAV-BZUAXINKSA-N 2 2 333.432 1.096 20 0 EDADLP CO[C@@H]1C[C@H](CO)[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000344701112 143000450 /nfs/dbraw/zinc/00/04/50/143000450.db2.gz CZPRXOUQACAIAV-BZUAXINKSA-N 2 2 333.432 1.096 20 0 EDADLP C[C@H]1CS(=O)(=O)C[C@@H]1Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000345193146 143062849 /nfs/dbraw/zinc/06/28/49/143062849.db2.gz FCGLOGOMDMQUGZ-GWCFXTLKSA-N 2 2 344.400 1.056 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345313832 143076716 /nfs/dbraw/zinc/07/67/16/143076716.db2.gz GZYOIAUQPDIHIE-QAPCUYQASA-N 2 2 331.460 1.731 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345313832 143076717 /nfs/dbraw/zinc/07/67/17/143076717.db2.gz GZYOIAUQPDIHIE-QAPCUYQASA-N 2 2 331.460 1.731 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000345391929 143085641 /nfs/dbraw/zinc/08/56/41/143085641.db2.gz DVLXSSJKBCGSDX-GJZGRUSLSA-N 2 2 344.459 1.912 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000345769575 143131495 /nfs/dbraw/zinc/13/14/95/143131495.db2.gz NRUIWYMZICVACD-IYBDPMFKSA-N 3 2 336.524 1.534 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000345769575 143131496 /nfs/dbraw/zinc/13/14/96/143131496.db2.gz NRUIWYMZICVACD-IYBDPMFKSA-N 3 2 336.524 1.534 20 0 EDADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](O)CN1CCOCC1 ZINC000346156318 143173262 /nfs/dbraw/zinc/17/32/62/143173262.db2.gz AUOVWNJPSARXRU-OAHLLOKOSA-N 2 2 336.461 1.059 20 0 EDADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](O)CN1CCOCC1 ZINC000346156318 143173263 /nfs/dbraw/zinc/17/32/63/143173263.db2.gz AUOVWNJPSARXRU-OAHLLOKOSA-N 2 2 336.461 1.059 20 0 EDADLP Cn1cc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)cn1 ZINC000346219879 143180186 /nfs/dbraw/zinc/18/01/86/143180186.db2.gz NGLWYHPSHDGSAO-UHFFFAOYSA-N 2 2 328.445 1.990 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000346284956 143186731 /nfs/dbraw/zinc/18/67/31/143186731.db2.gz ZOUBHWGWLBGPQP-UHFFFAOYSA-N 2 2 348.472 1.634 20 0 EDADLP CCOC(=O)c1cnc(N2CC[NH+](CCn3cc[nH+]c3)CC2)s1 ZINC000346327379 143192361 /nfs/dbraw/zinc/19/23/61/143192361.db2.gz OZLGHIIFFRJGOT-UHFFFAOYSA-N 2 2 335.433 1.339 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)[N@H+](C)C1 ZINC000346700612 143234048 /nfs/dbraw/zinc/23/40/48/143234048.db2.gz HPCCGMNODNCVCL-ZWKOTPCHSA-N 2 2 342.443 1.723 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)[N@@H+](C)C1 ZINC000346700612 143234049 /nfs/dbraw/zinc/23/40/49/143234049.db2.gz HPCCGMNODNCVCL-ZWKOTPCHSA-N 2 2 342.443 1.723 20 0 EDADLP CCCOc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OCC ZINC000347041678 143275423 /nfs/dbraw/zinc/27/54/23/143275423.db2.gz LIUDZLYKDHBTDZ-UHFFFAOYSA-N 2 2 349.475 1.738 20 0 EDADLP CCCOc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OCC ZINC000347041678 143275424 /nfs/dbraw/zinc/27/54/24/143275424.db2.gz LIUDZLYKDHBTDZ-UHFFFAOYSA-N 2 2 349.475 1.738 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000347145549 143287391 /nfs/dbraw/zinc/28/73/91/143287391.db2.gz LGSNUSDHALKYAP-JJRVBVJISA-N 2 2 339.505 1.928 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000347145549 143287392 /nfs/dbraw/zinc/28/73/92/143287392.db2.gz LGSNUSDHALKYAP-JJRVBVJISA-N 2 2 339.505 1.928 20 0 EDADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347205623 143294626 /nfs/dbraw/zinc/29/46/26/143294626.db2.gz MBUFMUWIQZMUCY-UHFFFAOYSA-N 2 2 327.432 1.044 20 0 EDADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347205623 143294627 /nfs/dbraw/zinc/29/46/27/143294627.db2.gz MBUFMUWIQZMUCY-UHFFFAOYSA-N 2 2 327.432 1.044 20 0 EDADLP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000347919076 143379062 /nfs/dbraw/zinc/37/90/62/143379062.db2.gz IFKYXWGDETZAFW-CVEARBPZSA-N 2 2 331.464 1.988 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000348013170 143391333 /nfs/dbraw/zinc/39/13/33/143391333.db2.gz LHDLYZKCFDCKEV-CEXWTWQISA-N 2 2 345.487 1.829 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000348013170 143391334 /nfs/dbraw/zinc/39/13/34/143391334.db2.gz LHDLYZKCFDCKEV-CEXWTWQISA-N 2 2 345.487 1.829 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000348013170 143391335 /nfs/dbraw/zinc/39/13/35/143391335.db2.gz LHDLYZKCFDCKEV-CEXWTWQISA-N 2 2 345.487 1.829 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000348013170 143391336 /nfs/dbraw/zinc/39/13/36/143391336.db2.gz LHDLYZKCFDCKEV-CEXWTWQISA-N 2 2 345.487 1.829 20 0 EDADLP FC(F)Cn1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000350298022 143536669 /nfs/dbraw/zinc/53/66/69/143536669.db2.gz BBLBAIROGUDGQR-UHFFFAOYSA-N 2 2 327.423 1.362 20 0 EDADLP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352690392 149118685 /nfs/dbraw/zinc/11/86/85/149118685.db2.gz DQONGCFJMMVMQD-OAHLLOKOSA-N 2 2 329.423 1.695 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352741677 149144844 /nfs/dbraw/zinc/14/48/44/149144844.db2.gz ZVPSBNNFKANSLY-UHFFFAOYSA-N 2 2 346.435 1.416 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352741677 149144847 /nfs/dbraw/zinc/14/48/47/149144847.db2.gz ZVPSBNNFKANSLY-UHFFFAOYSA-N 2 2 346.435 1.416 20 0 EDADLP C[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000352766007 149156649 /nfs/dbraw/zinc/15/66/49/149156649.db2.gz AXNVVWOWEWNTAJ-FGTMMUONSA-N 2 2 338.540 1.497 20 0 EDADLP C[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000352766007 149156653 /nfs/dbraw/zinc/15/66/53/149156653.db2.gz AXNVVWOWEWNTAJ-FGTMMUONSA-N 2 2 338.540 1.497 20 0 EDADLP C[C@H]1CSC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352796211 149169650 /nfs/dbraw/zinc/16/96/50/149169650.db2.gz GGQLXGHFUZAVFL-ZFWWWQNUSA-N 2 2 339.530 1.733 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000352904420 149210845 /nfs/dbraw/zinc/21/08/45/149210845.db2.gz YRWGSEBUNSCPBR-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000352904420 149210847 /nfs/dbraw/zinc/21/08/47/149210847.db2.gz YRWGSEBUNSCPBR-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000352951070 149227226 /nfs/dbraw/zinc/22/72/26/149227226.db2.gz ZNZZBUIFKDHQAK-GOEBONIOSA-N 2 2 349.479 1.084 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C1 ZINC000352951070 149227227 /nfs/dbraw/zinc/22/72/27/149227227.db2.gz ZNZZBUIFKDHQAK-GOEBONIOSA-N 2 2 349.479 1.084 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000352951070 149227230 /nfs/dbraw/zinc/22/72/30/149227230.db2.gz ZNZZBUIFKDHQAK-GOEBONIOSA-N 2 2 349.479 1.084 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C1 ZINC000352951070 149227234 /nfs/dbraw/zinc/22/72/34/149227234.db2.gz ZNZZBUIFKDHQAK-GOEBONIOSA-N 2 2 349.479 1.084 20 0 EDADLP COCc1nc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cs1 ZINC000352975177 149235819 /nfs/dbraw/zinc/23/58/19/149235819.db2.gz GALSEXRHTKDALM-UHFFFAOYSA-N 2 2 340.493 1.179 20 0 EDADLP Cc1ccc(CCC[NH2+]Cc2ccc(C(=O)NCC(N)=O)cc2)c[nH+]1 ZINC000354572521 149872092 /nfs/dbraw/zinc/87/20/92/149872092.db2.gz MFUNJKYTJQHUAP-UHFFFAOYSA-N 2 2 340.427 1.328 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000416976286 304359203 /nfs/dbraw/zinc/35/92/03/304359203.db2.gz ABRZLGMXEHCZIM-HNNXBMFYSA-N 2 2 335.452 1.235 20 0 EDADLP Cc1nc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c(C)s1 ZINC000354904131 150022550 /nfs/dbraw/zinc/02/25/50/150022550.db2.gz WHRNJEDEUSGGFC-UHFFFAOYSA-N 2 2 325.478 1.419 20 0 EDADLP CCn1nccc1C[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354923069 150034113 /nfs/dbraw/zinc/03/41/13/150034113.db2.gz MSXGNUNCJHCDBA-GOEBONIOSA-N 2 2 334.443 1.681 20 0 EDADLP CCn1nccc1C[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354923069 150034117 /nfs/dbraw/zinc/03/41/17/150034117.db2.gz MSXGNUNCJHCDBA-GOEBONIOSA-N 2 2 334.443 1.681 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000355083908 150109729 /nfs/dbraw/zinc/10/97/29/150109729.db2.gz HUDCKQVTZNFTLC-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000355083908 150109731 /nfs/dbraw/zinc/10/97/31/150109731.db2.gz HUDCKQVTZNFTLC-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000355083908 150109734 /nfs/dbraw/zinc/10/97/34/150109734.db2.gz HUDCKQVTZNFTLC-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000355083908 150109738 /nfs/dbraw/zinc/10/97/38/150109738.db2.gz HUDCKQVTZNFTLC-WMZOPIPTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NC(C)(C)CCC[NH3+])c[nH+]2)CCO1 ZINC000416985982 304361715 /nfs/dbraw/zinc/36/17/15/304361715.db2.gz LTENUAAMUIIUQP-AWEZNQCLSA-N 2 2 349.479 1.623 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417029727 304362638 /nfs/dbraw/zinc/36/26/38/304362638.db2.gz OCAAPJIBNUHZTL-OAHLLOKOSA-N 2 2 326.485 1.258 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357614513 151085798 /nfs/dbraw/zinc/08/57/98/151085798.db2.gz CMYLHRXJMKRHDG-UHFFFAOYSA-N 2 2 329.444 1.511 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357614513 151085800 /nfs/dbraw/zinc/08/58/00/151085800.db2.gz CMYLHRXJMKRHDG-UHFFFAOYSA-N 2 2 329.444 1.511 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000357632902 151093693 /nfs/dbraw/zinc/09/36/93/151093693.db2.gz BSQJQVKZBKMYSN-HZPDHXFCSA-N 2 2 325.497 1.410 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000357632902 151093697 /nfs/dbraw/zinc/09/36/97/151093697.db2.gz BSQJQVKZBKMYSN-HZPDHXFCSA-N 2 2 325.497 1.410 20 0 EDADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642613 151098014 /nfs/dbraw/zinc/09/80/14/151098014.db2.gz CHVXGQFJVQUVDK-HNNXBMFYSA-N 2 2 331.460 1.353 20 0 EDADLP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642613 151098015 /nfs/dbraw/zinc/09/80/15/151098015.db2.gz CHVXGQFJVQUVDK-HNNXBMFYSA-N 2 2 331.460 1.353 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650374 151101923 /nfs/dbraw/zinc/10/19/23/151101923.db2.gz RBWVGKHHWQSWCU-AWEZNQCLSA-N 2 2 337.468 1.180 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650374 151101924 /nfs/dbraw/zinc/10/19/24/151101924.db2.gz RBWVGKHHWQSWCU-AWEZNQCLSA-N 2 2 337.468 1.180 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000417072141 304369645 /nfs/dbraw/zinc/36/96/45/304369645.db2.gz HKEPQAKBNIGTFS-WBVHZDCISA-N 2 2 347.463 1.421 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000358161216 151291569 /nfs/dbraw/zinc/29/15/69/151291569.db2.gz DWAQAJRDNCJNFU-OAHLLOKOSA-N 2 2 330.331 1.173 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000358161216 151291571 /nfs/dbraw/zinc/29/15/71/151291571.db2.gz DWAQAJRDNCJNFU-OAHLLOKOSA-N 2 2 330.331 1.173 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000358224523 151310798 /nfs/dbraw/zinc/31/07/98/151310798.db2.gz RDLRXRHAIJGRLO-PBHICJAKSA-N 2 2 337.489 1.346 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000358224523 151310800 /nfs/dbraw/zinc/31/08/00/151310800.db2.gz RDLRXRHAIJGRLO-PBHICJAKSA-N 2 2 337.489 1.346 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000352169852 304371977 /nfs/dbraw/zinc/37/19/77/304371977.db2.gz IIWOXGJBDYAZSN-ROUUACIJSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000352169852 304371980 /nfs/dbraw/zinc/37/19/80/304371980.db2.gz IIWOXGJBDYAZSN-ROUUACIJSA-N 2 2 335.492 1.574 20 0 EDADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000360669381 152146639 /nfs/dbraw/zinc/14/66/39/152146639.db2.gz CJJZPRYWOASZAP-JKSUJKDBSA-N 2 2 341.496 1.103 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000360804995 152212598 /nfs/dbraw/zinc/21/25/98/152212598.db2.gz ZHLZUSAJNVPCKG-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000360804995 152212599 /nfs/dbraw/zinc/21/25/99/152212599.db2.gz ZHLZUSAJNVPCKG-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000360804995 152212602 /nfs/dbraw/zinc/21/26/02/152212602.db2.gz ZHLZUSAJNVPCKG-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000360804995 152212603 /nfs/dbraw/zinc/21/26/03/152212603.db2.gz ZHLZUSAJNVPCKG-CVEARBPZSA-N 2 2 328.501 1.517 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360930220 152255180 /nfs/dbraw/zinc/25/51/80/152255180.db2.gz ZSHORHOFALMWDO-NEWSRXKRSA-N 2 2 343.471 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360930220 152255184 /nfs/dbraw/zinc/25/51/84/152255184.db2.gz ZSHORHOFALMWDO-NEWSRXKRSA-N 2 2 343.471 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360930220 152255185 /nfs/dbraw/zinc/25/51/85/152255185.db2.gz ZSHORHOFALMWDO-NEWSRXKRSA-N 2 2 343.471 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000360930220 152255188 /nfs/dbraw/zinc/25/51/88/152255188.db2.gz ZSHORHOFALMWDO-NEWSRXKRSA-N 2 2 343.471 1.728 20 0 EDADLP CCCC[C@@H](COC)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000360933434 152256238 /nfs/dbraw/zinc/25/62/38/152256238.db2.gz OXPNHNPWFJPSRO-KRWDZBQOSA-N 2 2 348.491 1.915 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000420360159 286310229 /nfs/dbraw/zinc/31/02/29/286310229.db2.gz GGPKVSVYNSNDHU-IBGZPJMESA-N 2 2 347.459 1.396 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000420360159 286310231 /nfs/dbraw/zinc/31/02/31/286310231.db2.gz GGPKVSVYNSNDHU-IBGZPJMESA-N 2 2 347.459 1.396 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)n(C)c1C ZINC000360972443 152266920 /nfs/dbraw/zinc/26/69/20/152266920.db2.gz AELKTIWLIAGXBN-INIZCTEOSA-N 2 2 337.464 1.303 20 0 EDADLP COC[C@@H](O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000361145970 152319542 /nfs/dbraw/zinc/31/95/42/152319542.db2.gz VMQMPNAKLCYMLE-INIZCTEOSA-N 2 2 336.480 1.816 20 0 EDADLP COC[C@@H](O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000361145970 152319543 /nfs/dbraw/zinc/31/95/43/152319543.db2.gz VMQMPNAKLCYMLE-INIZCTEOSA-N 2 2 336.480 1.816 20 0 EDADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1OCC(=O)N(C)C ZINC000361207830 152335481 /nfs/dbraw/zinc/33/54/81/152335481.db2.gz BGEAEUIOVSRQKI-GOEBONIOSA-N 2 2 337.464 1.117 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cc(C)on1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370166840 155359943 /nfs/dbraw/zinc/35/99/43/155359943.db2.gz ZIWHVZAOWNSYNZ-OAHLLOKOSA-N 2 2 343.431 1.984 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417182858 304381516 /nfs/dbraw/zinc/38/15/16/304381516.db2.gz QVXXUCGDPQSQCZ-NVXWUHKLSA-N 2 2 334.464 1.275 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)CC1 ZINC000363664918 153024384 /nfs/dbraw/zinc/02/43/84/153024384.db2.gz LGGPKOVDFOSGML-UHFFFAOYSA-N 2 2 339.443 1.426 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)CC1 ZINC000363664918 153024385 /nfs/dbraw/zinc/02/43/85/153024385.db2.gz LGGPKOVDFOSGML-UHFFFAOYSA-N 2 2 339.443 1.426 20 0 EDADLP Cc1nccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)n1 ZINC000363892444 153087285 /nfs/dbraw/zinc/08/72/85/153087285.db2.gz BVWLZVRIIDIHBL-LXZKKBNFSA-N 2 2 331.464 1.348 20 0 EDADLP Cc1nccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)n1 ZINC000363892444 153087287 /nfs/dbraw/zinc/08/72/87/153087287.db2.gz BVWLZVRIIDIHBL-LXZKKBNFSA-N 2 2 331.464 1.348 20 0 EDADLP c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000364006103 153119922 /nfs/dbraw/zinc/11/99/22/153119922.db2.gz YIRNGBNVBOKNBT-DOTOQJQBSA-N 2 2 343.475 1.766 20 0 EDADLP c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000364006103 153119924 /nfs/dbraw/zinc/11/99/24/153119924.db2.gz YIRNGBNVBOKNBT-DOTOQJQBSA-N 2 2 343.475 1.766 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000364216052 153176422 /nfs/dbraw/zinc/17/64/22/153176422.db2.gz AFJPSVXRFAXDSH-QUCCMNQESA-N 2 2 343.471 1.729 20 0 EDADLP Fc1ccc(C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1F ZINC000364326534 153206376 /nfs/dbraw/zinc/20/63/76/153206376.db2.gz GKHKZVGBPTZCPL-UHFFFAOYSA-N 2 2 339.430 1.805 20 0 EDADLP COCc1noc([C@@H](C)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000364914120 153367994 /nfs/dbraw/zinc/36/79/94/153367994.db2.gz CADXZBKIIIQLIC-UONOGXRCSA-N 2 2 337.468 1.377 20 0 EDADLP COCc1noc([C@@H](C)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000364914120 153367995 /nfs/dbraw/zinc/36/79/95/153367995.db2.gz CADXZBKIIIQLIC-UONOGXRCSA-N 2 2 337.468 1.377 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000367168759 154027273 /nfs/dbraw/zinc/02/72/73/154027273.db2.gz WLCNUMKCIVIVQI-UHFFFAOYSA-N 3 2 347.507 1.458 20 0 EDADLP COc1ccc(O)cc1[C@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000367318769 154077229 /nfs/dbraw/zinc/07/72/29/154077229.db2.gz RWYBHOWGUQTKMV-HOTGVXAUSA-N 2 2 349.475 1.458 20 0 EDADLP C[N@H+](Cc1cnc2cnccn12)C1CC[NH+](C2CCOCC2)CC1 ZINC000367429768 154119292 /nfs/dbraw/zinc/11/92/92/154119292.db2.gz IVPGETRGSLTCDY-UHFFFAOYSA-N 2 2 329.448 1.805 20 0 EDADLP C[N@@H+](Cc1cnc2cnccn12)C1CC[NH+](C2CCOCC2)CC1 ZINC000367429768 154119295 /nfs/dbraw/zinc/11/92/95/154119295.db2.gz IVPGETRGSLTCDY-UHFFFAOYSA-N 2 2 329.448 1.805 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000367435707 154121355 /nfs/dbraw/zinc/12/13/55/154121355.db2.gz COKZMPNCTJEBNG-GFCCVEGCSA-N 2 2 334.445 1.718 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccnc(Cl)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367445514 154123834 /nfs/dbraw/zinc/12/38/34/154123834.db2.gz UREQCNQKUUILHL-CYBMUJFWSA-N 2 2 336.867 1.976 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccnc(Cl)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367445514 154123835 /nfs/dbraw/zinc/12/38/35/154123835.db2.gz UREQCNQKUUILHL-CYBMUJFWSA-N 2 2 336.867 1.976 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000367904442 154319806 /nfs/dbraw/zinc/31/98/06/154319806.db2.gz OHIPYHOBLVKXQF-MRXNPFEDSA-N 2 2 336.480 1.245 20 0 EDADLP NC(=O)C[C@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000367982433 154352326 /nfs/dbraw/zinc/35/23/26/154352326.db2.gz JJTJENXFVRIXIY-MSOLQXFVSA-N 2 2 331.460 1.475 20 0 EDADLP NC(=O)C[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000367982433 154352327 /nfs/dbraw/zinc/35/23/27/154352327.db2.gz JJTJENXFVRIXIY-MSOLQXFVSA-N 2 2 331.460 1.475 20 0 EDADLP NC(=O)C[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000367982433 154352330 /nfs/dbraw/zinc/35/23/30/154352330.db2.gz JJTJENXFVRIXIY-MSOLQXFVSA-N 2 2 331.460 1.475 20 0 EDADLP NC(=O)C[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000367982433 154352333 /nfs/dbraw/zinc/35/23/33/154352333.db2.gz JJTJENXFVRIXIY-MSOLQXFVSA-N 2 2 331.460 1.475 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccn1 ZINC000368003074 154363157 /nfs/dbraw/zinc/36/31/57/154363157.db2.gz VMICRXHOUXXQHR-HNNXBMFYSA-N 2 2 343.431 1.765 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)CCO2)CC1 ZINC000369451127 155040386 /nfs/dbraw/zinc/04/03/86/155040386.db2.gz HZJQBQPEUBGNOH-LJQANCHMSA-N 2 2 340.471 1.683 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cnc4ccccc4c3)CCO2)CC1 ZINC000369451127 155040387 /nfs/dbraw/zinc/04/03/87/155040387.db2.gz HZJQBQPEUBGNOH-LJQANCHMSA-N 2 2 340.471 1.683 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000369633600 155117737 /nfs/dbraw/zinc/11/77/37/155117737.db2.gz BOHDJKNPYGRXSB-WBVHZDCISA-N 2 2 347.507 1.573 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000369633600 155117739 /nfs/dbraw/zinc/11/77/39/155117739.db2.gz BOHDJKNPYGRXSB-WBVHZDCISA-N 2 2 347.507 1.573 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371907901 156163099 /nfs/dbraw/zinc/16/30/99/156163099.db2.gz VZSFUFKEDYQGML-UHFFFAOYSA-N 2 2 335.452 1.411 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000372048257 156224986 /nfs/dbraw/zinc/22/49/86/156224986.db2.gz YHUJCHMFPWDQDN-KZNAEPCWSA-N 3 2 339.524 1.576 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000372048257 156224988 /nfs/dbraw/zinc/22/49/88/156224988.db2.gz YHUJCHMFPWDQDN-KZNAEPCWSA-N 3 2 339.524 1.576 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000372245607 156286647 /nfs/dbraw/zinc/28/66/47/156286647.db2.gz SWMJJAFKADXVKJ-GJZGRUSLSA-N 2 2 335.452 1.089 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000372245607 156286649 /nfs/dbraw/zinc/28/66/49/156286649.db2.gz SWMJJAFKADXVKJ-GJZGRUSLSA-N 2 2 335.452 1.089 20 0 EDADLP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000372331463 156336172 /nfs/dbraw/zinc/33/61/72/156336172.db2.gz KGKLTQNAQYVDTG-MAUKXSAKSA-N 2 2 339.443 1.439 20 0 EDADLP C[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000372331463 156336176 /nfs/dbraw/zinc/33/61/76/156336176.db2.gz KGKLTQNAQYVDTG-MAUKXSAKSA-N 2 2 339.443 1.439 20 0 EDADLP COc1ccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1O ZINC000372417444 156379254 /nfs/dbraw/zinc/37/92/54/156379254.db2.gz WJVBGJYHWRFCFO-RDJZCZTQSA-N 2 2 349.475 1.238 20 0 EDADLP COc1ccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1O ZINC000372417444 156379256 /nfs/dbraw/zinc/37/92/56/156379256.db2.gz WJVBGJYHWRFCFO-RDJZCZTQSA-N 2 2 349.475 1.238 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1O ZINC000372417444 156379257 /nfs/dbraw/zinc/37/92/57/156379257.db2.gz WJVBGJYHWRFCFO-RDJZCZTQSA-N 2 2 349.475 1.238 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1O ZINC000372417444 156379259 /nfs/dbraw/zinc/37/92/59/156379259.db2.gz WJVBGJYHWRFCFO-RDJZCZTQSA-N 2 2 349.475 1.238 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000374200029 157189005 /nfs/dbraw/zinc/18/90/05/157189005.db2.gz NHJVTGRHJBGFTJ-CYBMUJFWSA-N 2 2 348.447 1.389 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000374200029 157189008 /nfs/dbraw/zinc/18/90/08/157189008.db2.gz NHJVTGRHJBGFTJ-CYBMUJFWSA-N 2 2 348.447 1.389 20 0 EDADLP CC(C)COCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000374320259 157243108 /nfs/dbraw/zinc/24/31/08/157243108.db2.gz HEJJHHCCKCMOHS-SFHVURJKSA-N 2 2 327.513 1.386 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374391606 157272793 /nfs/dbraw/zinc/27/27/93/157272793.db2.gz XNQODMFVQTZLQR-INIZCTEOSA-N 2 2 327.432 1.965 20 0 EDADLP CC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000374407472 157279216 /nfs/dbraw/zinc/27/92/16/157279216.db2.gz WBMIJUDBJAEIQW-UYAOXDASSA-N 2 2 345.487 1.874 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H]2CCCCN12 ZINC000374504975 157310707 /nfs/dbraw/zinc/31/07/07/157310707.db2.gz MQPUDDGIRZYQPN-QZTJIDSGSA-N 2 2 328.460 1.789 20 0 EDADLP COCc1noc([C@@H](C)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000374602213 157342105 /nfs/dbraw/zinc/34/21/05/157342105.db2.gz HKVFDBCTPJBAAM-UKRRQHHQSA-N 2 2 337.468 1.377 20 0 EDADLP COCc1noc([C@@H](C)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000374602213 157342108 /nfs/dbraw/zinc/34/21/08/157342108.db2.gz HKVFDBCTPJBAAM-UKRRQHHQSA-N 2 2 337.468 1.377 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CCOc3ccccc3F)CC2)C(=O)C1 ZINC000374733099 157380872 /nfs/dbraw/zinc/38/08/72/157380872.db2.gz FPNFZTGVSIKYSZ-UHFFFAOYSA-N 2 2 335.423 1.443 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CCOc3ccccc3F)CC2)C(=O)C1 ZINC000374733099 157380875 /nfs/dbraw/zinc/38/08/75/157380875.db2.gz FPNFZTGVSIKYSZ-UHFFFAOYSA-N 2 2 335.423 1.443 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccsc1 ZINC000374745066 157385677 /nfs/dbraw/zinc/38/56/77/157385677.db2.gz VFMZLOFJCGFIRC-HOCLYGCPSA-N 2 2 337.489 1.722 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccsc1 ZINC000374745064 157385799 /nfs/dbraw/zinc/38/57/99/157385799.db2.gz VFMZLOFJCGFIRC-GDBMZVCRSA-N 2 2 337.489 1.722 20 0 EDADLP COc1c(C)cc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000378351269 158148160 /nfs/dbraw/zinc/14/81/60/158148160.db2.gz RMFHWTZCELFLAS-LJQANCHMSA-N 2 2 347.503 1.760 20 0 EDADLP COc1c(C)cc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000378351269 158148161 /nfs/dbraw/zinc/14/81/61/158148161.db2.gz RMFHWTZCELFLAS-LJQANCHMSA-N 2 2 347.503 1.760 20 0 EDADLP C[C@H]1CN(C(=O)COc2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378369635 158155000 /nfs/dbraw/zinc/15/50/00/158155000.db2.gz YTHJNXPQZLBNSE-INIZCTEOSA-N 2 2 331.460 1.692 20 0 EDADLP C[C@H]1CN(C(=O)COc2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378369635 158155004 /nfs/dbraw/zinc/15/50/04/158155004.db2.gz YTHJNXPQZLBNSE-INIZCTEOSA-N 2 2 331.460 1.692 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378370880 158155357 /nfs/dbraw/zinc/15/53/57/158155357.db2.gz OOMMHQVOTWEZEH-GJZGRUSLSA-N 2 2 345.491 1.142 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCc3n[nH]cc3C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378370880 158155360 /nfs/dbraw/zinc/15/53/60/158155360.db2.gz OOMMHQVOTWEZEH-GJZGRUSLSA-N 2 2 345.491 1.142 20 0 EDADLP CCN1C(=O)[C@H]2C[N@H+](Cc3c[nH+]c4ccc(C)cn34)CCN2C1=O ZINC000378370365 158155568 /nfs/dbraw/zinc/15/55/68/158155568.db2.gz LGGSAYBYOPQIIP-CQSZACIVSA-N 2 2 327.388 1.111 20 0 EDADLP CCN1C(=O)[C@H]2C[N@@H+](Cc3c[nH+]c4ccc(C)cn34)CCN2C1=O ZINC000378370365 158155570 /nfs/dbraw/zinc/15/55/70/158155570.db2.gz LGGSAYBYOPQIIP-CQSZACIVSA-N 2 2 327.388 1.111 20 0 EDADLP Cc1[nH+]c(CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)c2n1CCCC2 ZINC000378406506 158165955 /nfs/dbraw/zinc/16/59/55/158165955.db2.gz STGIKJCRAMZIFM-ZDUSSCGKSA-N 2 2 335.452 1.048 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000378436645 158173141 /nfs/dbraw/zinc/17/31/41/158173141.db2.gz QXPDUIHEVKCDDC-INIZCTEOSA-N 2 2 348.535 1.251 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000378436645 158173143 /nfs/dbraw/zinc/17/31/43/158173143.db2.gz QXPDUIHEVKCDDC-INIZCTEOSA-N 2 2 348.535 1.251 20 0 EDADLP COCc1nc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000378588202 158214750 /nfs/dbraw/zinc/21/47/50/158214750.db2.gz BTFNGTJLORBZHS-UHFFFAOYSA-N 2 2 331.420 1.959 20 0 EDADLP COCc1nc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000378588202 158214751 /nfs/dbraw/zinc/21/47/51/158214751.db2.gz BTFNGTJLORBZHS-UHFFFAOYSA-N 2 2 331.420 1.959 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1C[N@@H+]3CCN1CCC3)C2 ZINC000408031199 158245762 /nfs/dbraw/zinc/24/57/62/158245762.db2.gz RBVFOCJIPLZEOS-LSDHHAIUSA-N 2 2 345.491 1.002 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1C[N@H+]3CCN1CCC3)C2 ZINC000408031199 158245763 /nfs/dbraw/zinc/24/57/63/158245763.db2.gz RBVFOCJIPLZEOS-LSDHHAIUSA-N 2 2 345.491 1.002 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C2 ZINC000352149634 162014475 /nfs/dbraw/zinc/01/44/75/162014475.db2.gz UKBBHXJHLJUKFC-DZKIICNBSA-N 2 2 334.464 1.369 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](C)O ZINC000352186956 162038787 /nfs/dbraw/zinc/03/87/87/162038787.db2.gz PCRIYKVBYYUMSF-OAHLLOKOSA-N 2 2 335.448 1.160 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](C)O ZINC000352186956 162038788 /nfs/dbraw/zinc/03/87/88/162038788.db2.gz PCRIYKVBYYUMSF-OAHLLOKOSA-N 2 2 335.448 1.160 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000352208556 162050196 /nfs/dbraw/zinc/05/01/96/162050196.db2.gz PSTMKDMPCQLDMM-UHFFFAOYSA-N 2 2 337.468 1.588 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000352326160 162118158 /nfs/dbraw/zinc/11/81/58/162118158.db2.gz CHWZNGWWWZENNC-UHFFFAOYSA-N 2 2 328.482 1.023 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000352520097 162226103 /nfs/dbraw/zinc/22/61/03/162226103.db2.gz VDBVMPSKKXQVFC-RLFYNMQTSA-N 2 2 348.466 1.371 20 0 EDADLP Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352518455 162227017 /nfs/dbraw/zinc/22/70/17/162227017.db2.gz ILIDFOBYUXGOHU-MJGOQNOKSA-N 2 2 344.503 1.022 20 0 EDADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352524205 162230220 /nfs/dbraw/zinc/23/02/20/162230220.db2.gz AIEPMCUFZQDKHE-MAUKXSAKSA-N 2 2 348.466 1.325 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000360161940 162293055 /nfs/dbraw/zinc/29/30/55/162293055.db2.gz JXQUGGQWGRENMC-UHFFFAOYSA-N 2 2 345.447 1.107 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000360161940 162293057 /nfs/dbraw/zinc/29/30/57/162293057.db2.gz JXQUGGQWGRENMC-UHFFFAOYSA-N 2 2 345.447 1.107 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000365279461 162358915 /nfs/dbraw/zinc/35/89/15/162358915.db2.gz YQAQFFQHQNWUPP-GJZGRUSLSA-N 2 2 333.484 1.028 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000365279461 162358916 /nfs/dbraw/zinc/35/89/16/162358916.db2.gz YQAQFFQHQNWUPP-GJZGRUSLSA-N 2 2 333.484 1.028 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502903 452269143 /nfs/dbraw/zinc/26/91/43/452269143.db2.gz UXWNXUPOEWVQGX-KGLIPLIRSA-N 2 2 325.478 1.744 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000073656625 287262618 /nfs/dbraw/zinc/26/26/18/287262618.db2.gz QKUDUFHHXKMMDV-INIZCTEOSA-N 2 2 349.479 1.400 20 0 EDADLP CC[NH2+]CCNC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000418323519 304479463 /nfs/dbraw/zinc/47/94/63/304479463.db2.gz FDCWEKXHIRQQBN-CQSZACIVSA-N 2 2 340.493 1.372 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123253454 222243552 /nfs/dbraw/zinc/24/35/52/222243552.db2.gz PYWNGFDTFPQJLZ-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123253454 222243553 /nfs/dbraw/zinc/24/35/53/222243553.db2.gz PYWNGFDTFPQJLZ-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123253454 222243554 /nfs/dbraw/zinc/24/35/54/222243554.db2.gz PYWNGFDTFPQJLZ-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123253454 222243555 /nfs/dbraw/zinc/24/35/55/222243555.db2.gz PYWNGFDTFPQJLZ-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCSCC1 ZINC000171628180 227183448 /nfs/dbraw/zinc/18/34/48/227183448.db2.gz AIMBYHBTPCUZCM-OAHLLOKOSA-N 2 2 349.500 1.895 20 0 EDADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423488170 292642103 /nfs/dbraw/zinc/64/21/03/292642103.db2.gz DMZNFGLLFSIXMD-PKOBYXMFSA-N 2 2 333.476 1.336 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000151234682 287594270 /nfs/dbraw/zinc/59/42/70/287594270.db2.gz IXIQXJPQZUNDNZ-CQSZACIVSA-N 2 2 330.457 1.851 20 0 EDADLP Cc1c(-c2cc(C[NH+]3CCN(c4[nH+]ccn4C)CC3)on2)cnn1C ZINC000274317183 268124129 /nfs/dbraw/zinc/12/41/29/268124129.db2.gz HKIGAHDYHHOSLR-UHFFFAOYSA-N 2 2 341.419 1.439 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000275325910 268323338 /nfs/dbraw/zinc/32/33/38/268323338.db2.gz FDHXLKXZJJAYCF-HNNXBMFYSA-N 2 2 345.451 1.013 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@H]3CCc4[nH+]ccn4C3)[nH+]c2c1 ZINC000275354818 268328540 /nfs/dbraw/zinc/32/85/40/268328540.db2.gz IPQKPGLNZZXKQG-CQSZACIVSA-N 2 2 338.415 1.901 20 0 EDADLP CC1CC[NH+](CC(=O)N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)CC1 ZINC000275592096 268364597 /nfs/dbraw/zinc/36/45/97/268364597.db2.gz KIGCXOBQEZKCAC-INIZCTEOSA-N 2 2 346.475 1.859 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)CCC1 ZINC000275601607 268365477 /nfs/dbraw/zinc/36/54/77/268365477.db2.gz HUYCHADJWHBVNE-OAHLLOKOSA-N 2 2 346.479 1.177 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)CCC1 ZINC000275601607 268365479 /nfs/dbraw/zinc/36/54/79/268365479.db2.gz HUYCHADJWHBVNE-OAHLLOKOSA-N 2 2 346.479 1.177 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)c3cn[nH]c3)CC2)c1 ZINC000274039620 273066688 /nfs/dbraw/zinc/06/66/88/273066688.db2.gz NEIJMOKCXWEUIK-INIZCTEOSA-N 2 2 341.459 1.713 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)[C@@H]3CCOC3)CC2)c1 ZINC000274024589 273066307 /nfs/dbraw/zinc/06/63/07/273066307.db2.gz NEUYUEXSVKAHOL-PKOBYXMFSA-N 2 2 345.487 1.654 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCOCC1 ZINC000275732295 273123543 /nfs/dbraw/zinc/12/35/43/273123543.db2.gz XONWNIOBPIVPCZ-HNNXBMFYSA-N 2 2 334.464 1.633 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccn3cc[nH+]c3c2)CCCO1 ZINC000277734515 273220775 /nfs/dbraw/zinc/22/07/75/273220775.db2.gz QLWHPIKFKPDSON-OAHLLOKOSA-N 2 2 345.447 1.634 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccn3cc[nH+]c3c2)CCCO1 ZINC000277734515 273220776 /nfs/dbraw/zinc/22/07/76/273220776.db2.gz QLWHPIKFKPDSON-OAHLLOKOSA-N 2 2 345.447 1.634 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000278888658 273267794 /nfs/dbraw/zinc/26/77/94/273267794.db2.gz ONNXSTLNMPCDIA-UHFFFAOYSA-N 2 2 342.443 1.534 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000278888658 273267795 /nfs/dbraw/zinc/26/77/95/273267795.db2.gz ONNXSTLNMPCDIA-UHFFFAOYSA-N 2 2 342.443 1.534 20 0 EDADLP C=Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000278899153 273268884 /nfs/dbraw/zinc/26/88/84/273268884.db2.gz QUNKSYVTWSITEY-OALUTQOASA-N 2 2 326.444 1.956 20 0 EDADLP C=Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000278899153 273268886 /nfs/dbraw/zinc/26/88/86/273268886.db2.gz QUNKSYVTWSITEY-OALUTQOASA-N 2 2 326.444 1.956 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH+]1C1CC1 ZINC000279793500 273327622 /nfs/dbraw/zinc/32/76/22/273327622.db2.gz VHARNSUTKJOOEU-RTBURBONSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH+]1C1CC1 ZINC000279793500 273327623 /nfs/dbraw/zinc/32/76/23/273327623.db2.gz VHARNSUTKJOOEU-RTBURBONSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279793500 273327624 /nfs/dbraw/zinc/32/76/24/273327624.db2.gz VHARNSUTKJOOEU-RTBURBONSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279793500 273327625 /nfs/dbraw/zinc/32/76/25/273327625.db2.gz VHARNSUTKJOOEU-RTBURBONSA-N 2 2 343.471 1.630 20 0 EDADLP CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283922422 274012336 /nfs/dbraw/zinc/01/23/36/274012336.db2.gz CGCWPHNFJIUMOO-SJLPKXTDSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283922422 274012337 /nfs/dbraw/zinc/01/23/37/274012337.db2.gz CGCWPHNFJIUMOO-SJLPKXTDSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@H](C)C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283922422 274012339 /nfs/dbraw/zinc/01/23/39/274012339.db2.gz CGCWPHNFJIUMOO-SJLPKXTDSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@H](C)C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283922422 274012341 /nfs/dbraw/zinc/01/23/41/274012341.db2.gz CGCWPHNFJIUMOO-SJLPKXTDSA-N 2 2 333.476 1.591 20 0 EDADLP NC(=O)C[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284300171 274152356 /nfs/dbraw/zinc/15/23/56/274152356.db2.gz ZDRNDYOYVZSEEM-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP NC(=O)C[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284300171 274152360 /nfs/dbraw/zinc/15/23/60/274152360.db2.gz ZDRNDYOYVZSEEM-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP NC(=O)C[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284300171 274152363 /nfs/dbraw/zinc/15/23/63/274152363.db2.gz ZDRNDYOYVZSEEM-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP NC(=O)C[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284300171 274152365 /nfs/dbraw/zinc/15/23/65/274152365.db2.gz ZDRNDYOYVZSEEM-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP CS[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1[NH+](C)C ZINC000272406547 274185407 /nfs/dbraw/zinc/18/54/07/274185407.db2.gz ZOJUKBUZDSVJDU-CABCVRRESA-N 2 2 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/nfs/dbraw/zinc/12/12/58/305121258.db2.gz MYQANMJHMBVSHG-DLBZAZTESA-N 2 2 340.512 1.613 20 0 EDADLP Cc1nn(C)cc1CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435431097 305140282 /nfs/dbraw/zinc/14/02/82/305140282.db2.gz BUBKJXVCVRYUPK-INIZCTEOSA-N 2 2 328.464 1.606 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435624079 305143709 /nfs/dbraw/zinc/14/37/09/305143709.db2.gz DQPSMDLROFZKAH-OAHLLOKOSA-N 2 2 333.432 1.860 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435624079 305143710 /nfs/dbraw/zinc/14/37/10/305143710.db2.gz DQPSMDLROFZKAH-OAHLLOKOSA-N 2 2 333.432 1.860 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC)nc2)nc[nH+]1 ZINC000436243382 305154872 /nfs/dbraw/zinc/15/48/72/305154872.db2.gz VNELSXLIDVMXSP-AWEZNQCLSA-N 2 2 328.420 1.681 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)n1C ZINC000436481173 305158289 /nfs/dbraw/zinc/15/82/89/305158289.db2.gz RDFANPHRRGFHNU-INIZCTEOSA-N 2 2 327.432 1.377 20 0 EDADLP COC[C@@H]1C[NH+](C[C@@H](C)C[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000439287926 305196158 /nfs/dbraw/zinc/19/61/58/305196158.db2.gz RUYHIMVYOAGEHA-JCECYMMASA-N 2 2 344.496 1.094 20 0 EDADLP COC[C@@H]1C[NH+](C[C@@H](C)C[N@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000439287926 305196159 /nfs/dbraw/zinc/19/61/59/305196159.db2.gz RUYHIMVYOAGEHA-JCECYMMASA-N 2 2 344.496 1.094 20 0 EDADLP COC[C@@H]1C[NH+](C[C@H](C)C[N@@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439287926 305196160 /nfs/dbraw/zinc/19/61/60/305196160.db2.gz RUYHIMVYOAGEHA-JCECYMMASA-N 2 2 344.496 1.094 20 0 EDADLP COC[C@@H]1C[NH+](C[C@H](C)C[N@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439287926 305196161 /nfs/dbraw/zinc/19/61/61/305196161.db2.gz RUYHIMVYOAGEHA-JCECYMMASA-N 2 2 344.496 1.094 20 0 EDADLP COc1nccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000449145410 305307732 /nfs/dbraw/zinc/30/77/32/305307732.db2.gz XVCWKNWWISODFM-WMLDXEAASA-N 2 2 327.432 1.880 20 0 EDADLP COc1nccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000449145410 305307733 /nfs/dbraw/zinc/30/77/33/305307733.db2.gz XVCWKNWWISODFM-WMLDXEAASA-N 2 2 327.432 1.880 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449318624 305311322 /nfs/dbraw/zinc/31/13/22/305311322.db2.gz WGVCREBAJMWPGK-HXUWFJFHSA-N 2 2 334.423 1.924 20 0 EDADLP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1COC1 ZINC000451288889 305336498 /nfs/dbraw/zinc/33/64/98/305336498.db2.gz UNXGJHCSVGRAJL-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1COC1 ZINC000451288889 305336499 /nfs/dbraw/zinc/33/64/99/305336499.db2.gz UNXGJHCSVGRAJL-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452391873 305397395 /nfs/dbraw/zinc/39/73/95/305397395.db2.gz QPWKFDKWPCSOES-HNNXBMFYSA-N 2 2 344.459 1.562 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452391873 305397396 /nfs/dbraw/zinc/39/73/96/305397396.db2.gz QPWKFDKWPCSOES-HNNXBMFYSA-N 2 2 344.459 1.562 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CC1 ZINC000516857286 305742802 /nfs/dbraw/zinc/74/28/02/305742802.db2.gz VCIGZNMITYQEIC-OWCLPIDISA-N 2 2 331.464 1.902 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000425915541 447359838 /nfs/dbraw/zinc/35/98/38/447359838.db2.gz JSRQDDJIXQGEOL-HNNXBMFYSA-N 2 2 331.420 1.244 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000425915541 447359842 /nfs/dbraw/zinc/35/98/42/447359842.db2.gz JSRQDDJIXQGEOL-HNNXBMFYSA-N 2 2 331.420 1.244 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000377801937 447363106 /nfs/dbraw/zinc/36/31/06/447363106.db2.gz CWRJSIZHIFVXDZ-ZWKOTPCHSA-N 2 2 331.460 1.671 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000530283648 305936762 /nfs/dbraw/zinc/93/67/62/305936762.db2.gz PKUAMCAUSSLHIX-UHFFFAOYSA-N 2 2 331.326 1.903 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000547979653 306116485 /nfs/dbraw/zinc/11/64/85/306116485.db2.gz LSSGIKXGOTWKBX-OCCSQVGLSA-N 2 2 334.445 1.457 20 0 EDADLP CN1CC[NH+](CCCC[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000550621095 306153250 /nfs/dbraw/zinc/15/32/50/306153250.db2.gz BTXSVJVRLSHLHX-HNNXBMFYSA-N 2 2 334.493 1.573 20 0 EDADLP C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000554597466 306196112 /nfs/dbraw/zinc/19/61/12/306196112.db2.gz FOFGQCJGNFDVGZ-UHFFFAOYSA-N 2 2 329.404 1.121 20 0 EDADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H]1COc2ccccc2O1 ZINC000555880226 306206767 /nfs/dbraw/zinc/20/67/67/306206767.db2.gz IPSHPZCYWWFRSY-HZPDHXFCSA-N 2 2 338.448 1.087 20 0 EDADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H]1COc2ccccc2O1 ZINC000555880226 306206768 /nfs/dbraw/zinc/20/67/68/306206768.db2.gz IPSHPZCYWWFRSY-HZPDHXFCSA-N 2 2 338.448 1.087 20 0 EDADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@@H]1COc2ccccc2O1 ZINC000555880226 306206769 /nfs/dbraw/zinc/20/67/69/306206769.db2.gz IPSHPZCYWWFRSY-HZPDHXFCSA-N 2 2 338.448 1.087 20 0 EDADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@@H]1COc2ccccc2O1 ZINC000555880226 306206770 /nfs/dbraw/zinc/20/67/70/306206770.db2.gz IPSHPZCYWWFRSY-HZPDHXFCSA-N 2 2 338.448 1.087 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C2)nn1 ZINC000557339196 306227529 /nfs/dbraw/zinc/22/75/29/306227529.db2.gz QHTNVUUMNXAFOV-OAHLLOKOSA-N 2 2 348.838 1.666 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C2)nn1 ZINC000557339196 306227530 /nfs/dbraw/zinc/22/75/30/306227530.db2.gz QHTNVUUMNXAFOV-OAHLLOKOSA-N 2 2 348.838 1.666 20 0 EDADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000449444022 447374366 /nfs/dbraw/zinc/37/43/66/447374366.db2.gz XSBZWOJCLWDWOU-IRXDYDNUSA-N 2 2 339.505 1.568 20 0 EDADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000449444022 447374369 /nfs/dbraw/zinc/37/43/69/447374369.db2.gz XSBZWOJCLWDWOU-IRXDYDNUSA-N 2 2 339.505 1.568 20 0 EDADLP [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000414960178 447375036 /nfs/dbraw/zinc/37/50/36/447375036.db2.gz UCQOHZHDUBXRPC-MRXNPFEDSA-N 2 2 332.448 1.864 20 0 EDADLP CN1CC[NH2+]C[C@@H]1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000414971664 447380413 /nfs/dbraw/zinc/38/04/13/447380413.db2.gz IPFYWGLDJISOQL-GOSISDBHSA-N 2 2 336.911 1.798 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414971664 447380416 /nfs/dbraw/zinc/38/04/16/447380416.db2.gz IPFYWGLDJISOQL-GOSISDBHSA-N 2 2 336.911 1.798 20 0 EDADLP Cc1cc(CNC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc(C)[nH+]1 ZINC000422208431 447403120 /nfs/dbraw/zinc/40/31/20/447403120.db2.gz MXGPEDIOTHDYRR-UHFFFAOYSA-N 2 2 347.507 1.914 20 0 EDADLP CS(=O)(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC000661188311 453751819 /nfs/dbraw/zinc/75/18/19/453751819.db2.gz YWBDGIQJUHNVSJ-GHMZBOCLSA-N 2 2 325.356 1.181 20 0 EDADLP CS(=O)(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC000661188311 453751821 /nfs/dbraw/zinc/75/18/21/453751821.db2.gz YWBDGIQJUHNVSJ-GHMZBOCLSA-N 2 2 325.356 1.181 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494201565 447430656 /nfs/dbraw/zinc/43/06/56/447430656.db2.gz NJLBGCKXKNTAON-WMLDXEAASA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494201565 447430662 /nfs/dbraw/zinc/43/06/62/447430662.db2.gz NJLBGCKXKNTAON-WMLDXEAASA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000045426108 440983466 /nfs/dbraw/zinc/98/34/66/440983466.db2.gz CHXRVUURZUNDBA-OAHLLOKOSA-N 2 2 329.448 1.908 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000045426108 440983470 /nfs/dbraw/zinc/98/34/70/440983470.db2.gz CHXRVUURZUNDBA-OAHLLOKOSA-N 2 2 329.448 1.908 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000057169601 441095317 /nfs/dbraw/zinc/09/53/17/441095317.db2.gz QVPMCCJXPNUOID-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000057169601 441095320 /nfs/dbraw/zinc/09/53/20/441095320.db2.gz QVPMCCJXPNUOID-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc(F)ccc1F ZINC000080251179 441153857 /nfs/dbraw/zinc/15/38/57/441153857.db2.gz GRSTUJCEIJYDSN-UHFFFAOYSA-N 2 2 339.430 1.992 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc(F)ccc1F ZINC000080251179 441153861 /nfs/dbraw/zinc/15/38/61/441153861.db2.gz GRSTUJCEIJYDSN-UHFFFAOYSA-N 2 2 339.430 1.992 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415436992 447438059 /nfs/dbraw/zinc/43/80/59/447438059.db2.gz KIXQWYKILPXFRG-UONOGXRCSA-N 2 2 341.415 1.397 20 0 EDADLP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000105130361 441236518 /nfs/dbraw/zinc/23/65/18/441236518.db2.gz GIQGJHCDWUTRJJ-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000105134833 441237588 /nfs/dbraw/zinc/23/75/88/441237588.db2.gz AIHNETWMZOORBC-KRWDZBQOSA-N 2 2 340.512 1.472 20 0 EDADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000105134833 441237590 /nfs/dbraw/zinc/23/75/90/441237590.db2.gz AIHNETWMZOORBC-KRWDZBQOSA-N 2 2 340.512 1.472 20 0 EDADLP C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H](C)[NH+]1CCOCC1 ZINC000105145700 441238576 /nfs/dbraw/zinc/23/85/76/441238576.db2.gz OFDKNISWLGREGN-CABCVRRESA-N 2 2 349.479 1.170 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)Cc2cccc(O)c2)C1 ZINC000080918002 441207709 /nfs/dbraw/zinc/20/77/09/441207709.db2.gz JSPPIXVFGVQUML-SFHVURJKSA-N 2 2 349.475 1.297 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)Cc2cccc(O)c2)C1 ZINC000080918002 441207713 /nfs/dbraw/zinc/20/77/13/441207713.db2.gz JSPPIXVFGVQUML-SFHVURJKSA-N 2 2 349.475 1.297 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)Cc2cccc(O)c2)C1 ZINC000080918002 441207717 /nfs/dbraw/zinc/20/77/17/441207717.db2.gz JSPPIXVFGVQUML-SFHVURJKSA-N 2 2 349.475 1.297 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)Cc2cccc(O)c2)C1 ZINC000080918002 441207720 /nfs/dbraw/zinc/20/77/20/441207720.db2.gz JSPPIXVFGVQUML-SFHVURJKSA-N 2 2 349.475 1.297 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000105268604 441246488 /nfs/dbraw/zinc/24/64/88/441246488.db2.gz HDPZMPGXEQPNLZ-OAHLLOKOSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)[N@@H+](C)C1CC1 ZINC000105268604 441246492 /nfs/dbraw/zinc/24/64/92/441246492.db2.gz HDPZMPGXEQPNLZ-OAHLLOKOSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105300092 441249273 /nfs/dbraw/zinc/24/92/73/441249273.db2.gz RJDUBPLKPMRGPG-CVEARBPZSA-N 2 2 347.463 1.022 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3F)CC2)C1 ZINC000081314488 441252486 /nfs/dbraw/zinc/25/24/86/441252486.db2.gz KFBOEKBRYGYLRC-QGZVFWFLSA-N 2 2 335.423 1.191 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3F)CC2)C1 ZINC000081314488 441252489 /nfs/dbraw/zinc/25/24/89/441252489.db2.gz KFBOEKBRYGYLRC-QGZVFWFLSA-N 2 2 335.423 1.191 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)C1 ZINC000081314488 441252493 /nfs/dbraw/zinc/25/24/93/441252493.db2.gz KFBOEKBRYGYLRC-QGZVFWFLSA-N 2 2 335.423 1.191 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)C1 ZINC000081314488 441252494 /nfs/dbraw/zinc/25/24/94/441252494.db2.gz KFBOEKBRYGYLRC-QGZVFWFLSA-N 2 2 335.423 1.191 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000048173328 441267820 /nfs/dbraw/zinc/26/78/20/441267820.db2.gz SCYQZXMNORUECH-CYBMUJFWSA-N 2 2 326.404 1.929 20 0 EDADLP CCOC[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000081520758 441282072 /nfs/dbraw/zinc/28/20/72/441282072.db2.gz JPNVEEPQFHYPKZ-QGZVFWFLSA-N 2 2 346.475 1.479 20 0 EDADLP CCOC[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000081520758 441282077 /nfs/dbraw/zinc/28/20/77/441282077.db2.gz JPNVEEPQFHYPKZ-QGZVFWFLSA-N 2 2 346.475 1.479 20 0 EDADLP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000456685073 447439466 /nfs/dbraw/zinc/43/94/66/447439466.db2.gz PYBDYPPIZXVDSB-GOSISDBHSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000456685073 447439467 /nfs/dbraw/zinc/43/94/67/447439467.db2.gz PYBDYPPIZXVDSB-GOSISDBHSA-N 2 2 335.492 1.763 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C)o1 ZINC000050031082 441370607 /nfs/dbraw/zinc/37/06/07/441370607.db2.gz AJHRKDKLIWQZLU-UHFFFAOYSA-N 2 2 335.448 1.588 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn4cc(C)ccc4n3)C2)CC1 ZINC000107368353 441412393 /nfs/dbraw/zinc/41/23/93/441412393.db2.gz BKDWVAYIJBHOIR-GOSISDBHSA-N 2 2 327.476 1.855 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn4cc(C)ccc4n3)C2)CC1 ZINC000107368353 441412395 /nfs/dbraw/zinc/41/23/95/441412395.db2.gz BKDWVAYIJBHOIR-GOSISDBHSA-N 2 2 327.476 1.855 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCc4ccccc43)C2)CC1 ZINC000107372389 441414460 /nfs/dbraw/zinc/41/44/60/441414460.db2.gz JQCXDELMHIGQDH-GOSISDBHSA-N 2 2 342.487 1.288 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCc4ccccc43)C2)CC1 ZINC000107372389 441414463 /nfs/dbraw/zinc/41/44/63/441414463.db2.gz JQCXDELMHIGQDH-GOSISDBHSA-N 2 2 342.487 1.288 20 0 EDADLP CC(C)[NH+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)C ZINC000074336546 441423307 /nfs/dbraw/zinc/42/33/07/441423307.db2.gz NPOGAXPKPUSMGM-UHFFFAOYSA-N 2 2 330.436 1.901 20 0 EDADLP Cc1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959468 441429967 /nfs/dbraw/zinc/42/99/67/441429967.db2.gz KDENHMOMYUEPDO-UHFFFAOYSA-N 2 2 331.460 1.978 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000065441745 441435416 /nfs/dbraw/zinc/43/54/16/441435416.db2.gz GFLARZAQARSVSD-OAHLLOKOSA-N 2 2 329.448 1.906 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000065441745 441435420 /nfs/dbraw/zinc/43/54/20/441435420.db2.gz GFLARZAQARSVSD-OAHLLOKOSA-N 2 2 329.448 1.906 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000074181100 441404076 /nfs/dbraw/zinc/40/40/76/441404076.db2.gz VPOIERXHARQYHW-KRWDZBQOSA-N 2 2 345.491 1.004 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000074181100 441404079 /nfs/dbraw/zinc/40/40/79/441404079.db2.gz VPOIERXHARQYHW-KRWDZBQOSA-N 2 2 345.491 1.004 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000052528403 441457583 /nfs/dbraw/zinc/45/75/83/441457583.db2.gz VUDMKSUOWYWUTR-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000052528403 441457586 /nfs/dbraw/zinc/45/75/86/441457586.db2.gz VUDMKSUOWYWUTR-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP CCCN(CCO)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767425 441465287 /nfs/dbraw/zinc/46/52/87/441465287.db2.gz GBFKRIDWINNEOU-UHFFFAOYSA-N 2 2 340.512 1.351 20 0 EDADLP CCC[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000075532018 441531652 /nfs/dbraw/zinc/53/16/52/441531652.db2.gz JDQLBTRVGNWYCA-UHFFFAOYSA-N 2 2 344.503 1.358 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109794200 441507453 /nfs/dbraw/zinc/50/74/53/441507453.db2.gz GYUKBMNDDWXSSB-UHFFFAOYSA-N 2 2 342.399 1.945 20 0 EDADLP C[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000112976596 441573061 /nfs/dbraw/zinc/57/30/61/441573061.db2.gz IDWLKJDEAYDZSL-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000112976596 441573063 /nfs/dbraw/zinc/57/30/63/441573063.db2.gz IDWLKJDEAYDZSL-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000090410668 441628553 /nfs/dbraw/zinc/62/85/53/441628553.db2.gz ONEPEIBEWPYIGF-RYQLBKOJSA-N 2 2 345.491 1.685 20 0 EDADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000090410668 441628556 /nfs/dbraw/zinc/62/85/56/441628556.db2.gz ONEPEIBEWPYIGF-RYQLBKOJSA-N 2 2 345.491 1.685 20 0 EDADLP CO[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076344640 441633047 /nfs/dbraw/zinc/63/30/47/441633047.db2.gz QTEOGHMFAXAGAW-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP CO[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076344640 441633050 /nfs/dbraw/zinc/63/30/50/441633050.db2.gz QTEOGHMFAXAGAW-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP CC[NH+](CC)CCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114818351 441686245 /nfs/dbraw/zinc/68/62/45/441686245.db2.gz WGYNCSCHMMSTLM-MRXNPFEDSA-N 2 2 333.480 1.812 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000136966185 441735144 /nfs/dbraw/zinc/73/51/44/441735144.db2.gz YYFJWRFPANRSQO-WBVHZDCISA-N 2 2 345.491 1.888 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000136966185 441735151 /nfs/dbraw/zinc/73/51/51/441735151.db2.gz YYFJWRFPANRSQO-WBVHZDCISA-N 2 2 345.491 1.888 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCN(c2cccc(F)c2)CC1 ZINC000093178644 441862293 /nfs/dbraw/zinc/86/22/93/441862293.db2.gz KSTZXJKVMLZEIZ-UHFFFAOYSA-N 2 2 348.466 1.500 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCN(c2cccc(F)c2)CC1 ZINC000093178644 441862295 /nfs/dbraw/zinc/86/22/95/441862295.db2.gz KSTZXJKVMLZEIZ-UHFFFAOYSA-N 2 2 348.466 1.500 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173976707 441872306 /nfs/dbraw/zinc/87/23/06/441872306.db2.gz XIGWIJNXSWDQGV-MJGOQNOKSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173976707 441872312 /nfs/dbraw/zinc/87/23/12/441872312.db2.gz XIGWIJNXSWDQGV-MJGOQNOKSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173976707 441872316 /nfs/dbraw/zinc/87/23/16/441872316.db2.gz XIGWIJNXSWDQGV-MJGOQNOKSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173976707 441872318 /nfs/dbraw/zinc/87/23/18/441872318.db2.gz XIGWIJNXSWDQGV-MJGOQNOKSA-N 2 2 347.503 1.982 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856789 441827172 /nfs/dbraw/zinc/82/71/72/441827172.db2.gz SJNUDQWHQNFHKW-BBRMVZONSA-N 2 2 330.432 1.140 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856789 441827177 /nfs/dbraw/zinc/82/71/77/441827177.db2.gz SJNUDQWHQNFHKW-BBRMVZONSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856789 441827182 /nfs/dbraw/zinc/82/71/82/441827182.db2.gz SJNUDQWHQNFHKW-BBRMVZONSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856789 441827189 /nfs/dbraw/zinc/82/71/89/441827189.db2.gz SJNUDQWHQNFHKW-BBRMVZONSA-N 2 2 330.432 1.140 20 0 EDADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCCn1cc[nH+]c1 ZINC000043311357 441833925 /nfs/dbraw/zinc/83/39/25/441833925.db2.gz AZGFSKKBUZQCGL-UHFFFAOYSA-N 2 2 327.432 1.631 20 0 EDADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCCn1cc[nH+]c1 ZINC000043311357 441833931 /nfs/dbraw/zinc/83/39/31/441833931.db2.gz AZGFSKKBUZQCGL-UHFFFAOYSA-N 2 2 327.432 1.631 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000141488257 441852242 /nfs/dbraw/zinc/85/22/42/441852242.db2.gz DKUCUKKSRMBBBM-INIZCTEOSA-N 2 2 327.432 1.073 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000141488257 441852249 /nfs/dbraw/zinc/85/22/49/441852249.db2.gz DKUCUKKSRMBBBM-INIZCTEOSA-N 2 2 327.432 1.073 20 0 EDADLP CC[C@H](C)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000093063516 441855068 /nfs/dbraw/zinc/85/50/68/441855068.db2.gz QROACHXGSNTZQP-HNNXBMFYSA-N 2 2 340.493 1.169 20 0 EDADLP CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123868391 441902286 /nfs/dbraw/zinc/90/22/86/441902286.db2.gz OCMHZXVMWWTSNU-ROUUACIJSA-N 2 2 342.443 1.679 20 0 EDADLP CC[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123868391 441902290 /nfs/dbraw/zinc/90/22/90/441902290.db2.gz OCMHZXVMWWTSNU-ROUUACIJSA-N 2 2 342.443 1.679 20 0 EDADLP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000174417001 441922520 /nfs/dbraw/zinc/92/25/20/441922520.db2.gz FFVLAJMVGQPBKL-MSOLQXFVSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000174417001 441922525 /nfs/dbraw/zinc/92/25/25/441922525.db2.gz FFVLAJMVGQPBKL-MSOLQXFVSA-N 2 2 346.519 1.649 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117755174 441878799 /nfs/dbraw/zinc/87/87/99/441878799.db2.gz IVCMRVAXSWZEGF-UHFFFAOYSA-N 2 2 341.459 1.630 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc(OC)c1 ZINC000150757953 441943915 /nfs/dbraw/zinc/94/39/15/441943915.db2.gz OEQCXFKTMDRGDZ-CRAIPNDOSA-N 2 2 347.459 1.489 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc(OC)c1 ZINC000150757953 441943922 /nfs/dbraw/zinc/94/39/22/441943922.db2.gz OEQCXFKTMDRGDZ-CRAIPNDOSA-N 2 2 347.459 1.489 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000150757953 441943927 /nfs/dbraw/zinc/94/39/27/441943927.db2.gz OEQCXFKTMDRGDZ-CRAIPNDOSA-N 2 2 347.459 1.489 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc(OC)c1 ZINC000150757953 441943932 /nfs/dbraw/zinc/94/39/32/441943932.db2.gz OEQCXFKTMDRGDZ-CRAIPNDOSA-N 2 2 347.459 1.489 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000119868474 441967622 /nfs/dbraw/zinc/96/76/22/441967622.db2.gz UNGLGPTUNPIMPI-UHFFFAOYSA-N 2 2 333.436 1.502 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000151049246 441995948 /nfs/dbraw/zinc/99/59/48/441995948.db2.gz LJHPGWAMVJJASI-ZFWWWQNUSA-N 2 2 348.472 1.765 20 0 EDADLP c1cc2n(n1)C[C@H](C[NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CN2 ZINC000069592421 441983457 /nfs/dbraw/zinc/98/34/57/441983457.db2.gz QAHPYSFMYKBGGO-GOSISDBHSA-N 2 2 341.459 1.547 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nnc(C)o2)CC1 ZINC000150998566 441987562 /nfs/dbraw/zinc/98/75/62/441987562.db2.gz WODKEIASHFAIDE-UHFFFAOYSA-N 2 2 337.468 1.438 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)Cc2ccc(C)o2)CC1 ZINC000125326582 442009610 /nfs/dbraw/zinc/00/96/10/442009610.db2.gz AEDGSKUHNBBSHN-UHFFFAOYSA-N 2 2 337.464 1.637 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)Cc2ccc(C)o2)CC1 ZINC000125326582 442009617 /nfs/dbraw/zinc/00/96/17/442009617.db2.gz AEDGSKUHNBBSHN-UHFFFAOYSA-N 2 2 337.464 1.637 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079103673 442019299 /nfs/dbraw/zinc/01/92/99/442019299.db2.gz AYQIIDJOHNOQJY-INIZCTEOSA-N 2 2 343.475 1.965 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079103673 442019307 /nfs/dbraw/zinc/01/93/07/442019307.db2.gz AYQIIDJOHNOQJY-INIZCTEOSA-N 2 2 343.475 1.965 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000151253133 442031680 /nfs/dbraw/zinc/03/16/80/442031680.db2.gz VMFYOHDJXAWAMY-OAHLLOKOSA-N 2 2 337.489 1.722 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000151253133 442031684 /nfs/dbraw/zinc/03/16/84/442031684.db2.gz VMFYOHDJXAWAMY-OAHLLOKOSA-N 2 2 337.489 1.722 20 0 EDADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccco1 ZINC000162003116 442054073 /nfs/dbraw/zinc/05/40/73/442054073.db2.gz CIJNMRWYILNCEB-AWEZNQCLSA-N 2 2 328.416 1.938 20 0 EDADLP CO[C@H](C)c1nc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cs1 ZINC000161995885 442054712 /nfs/dbraw/zinc/05/47/12/442054712.db2.gz WJLSVINBIVXTJT-CQSZACIVSA-N 2 2 326.510 1.920 20 0 EDADLP CO[C@H](C)c1nc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cs1 ZINC000161995885 442054715 /nfs/dbraw/zinc/05/47/15/442054715.db2.gz WJLSVINBIVXTJT-CQSZACIVSA-N 2 2 326.510 1.920 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCSc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000162288870 442081433 /nfs/dbraw/zinc/08/14/33/442081433.db2.gz JIXXSOAYTWZFDD-GFCCVEGCSA-N 2 2 327.881 1.924 20 0 EDADLP C[N@H+]1CCN(C(=O)CCSc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000162288870 442081440 /nfs/dbraw/zinc/08/14/40/442081440.db2.gz JIXXSOAYTWZFDD-GFCCVEGCSA-N 2 2 327.881 1.924 20 0 EDADLP COc1cc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)ccc1SC ZINC000120875795 442145493 /nfs/dbraw/zinc/14/54/93/442145493.db2.gz VIYPYUTWWYRCKZ-UHFFFAOYSA-N 2 2 337.489 1.623 20 0 EDADLP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)ccc1SC ZINC000120875795 442145496 /nfs/dbraw/zinc/14/54/96/442145496.db2.gz VIYPYUTWWYRCKZ-UHFFFAOYSA-N 2 2 337.489 1.623 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000121130552 442180989 /nfs/dbraw/zinc/18/09/89/442180989.db2.gz CLOZHMKBRJKKSA-HZPDHXFCSA-N 2 2 347.463 1.070 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000163370252 442161180 /nfs/dbraw/zinc/16/11/80/442161180.db2.gz ZSXXICCUTHPIJI-TZMCWYRMSA-N 2 2 345.285 1.735 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000163370252 442161185 /nfs/dbraw/zinc/16/11/85/442161185.db2.gz ZSXXICCUTHPIJI-TZMCWYRMSA-N 2 2 345.285 1.735 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCCO[C@@H](C)C1 ZINC000170767121 442260631 /nfs/dbraw/zinc/26/06/31/442260631.db2.gz GGDMJQLPFPLUOQ-HOTGVXAUSA-N 2 2 332.448 1.230 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCCO[C@@H](C)C1 ZINC000170767121 442260634 /nfs/dbraw/zinc/26/06/34/442260634.db2.gz GGDMJQLPFPLUOQ-HOTGVXAUSA-N 2 2 332.448 1.230 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000128674026 442281738 /nfs/dbraw/zinc/28/17/38/442281738.db2.gz HHEGOTCVHDCUCR-JKSUJKDBSA-N 2 2 332.448 1.135 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000171005174 442297917 /nfs/dbraw/zinc/29/79/17/442297917.db2.gz SGGRJDLOTAUEDO-UHFFFAOYSA-N 2 2 326.485 1.272 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000171005174 442297918 /nfs/dbraw/zinc/29/79/18/442297918.db2.gz SGGRJDLOTAUEDO-UHFFFAOYSA-N 2 2 326.485 1.272 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129544198 442321587 /nfs/dbraw/zinc/32/15/87/442321587.db2.gz UACHAGYRBRQWCD-WNRNVDISSA-N 2 2 337.508 1.534 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171197313 442326278 /nfs/dbraw/zinc/32/62/78/442326278.db2.gz LBCMLDITOLNWQK-UHFFFAOYSA-N 2 2 345.447 1.309 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171197313 442326280 /nfs/dbraw/zinc/32/62/80/442326280.db2.gz LBCMLDITOLNWQK-UHFFFAOYSA-N 2 2 345.447 1.309 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1F ZINC000177354181 442331169 /nfs/dbraw/zinc/33/11/69/442331169.db2.gz YRRRUDCJUWCZIO-INIZCTEOSA-N 2 2 335.423 1.157 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000177485705 442348073 /nfs/dbraw/zinc/34/80/73/442348073.db2.gz IJJZECJPEPSROH-KRWDZBQOSA-N 2 2 349.479 1.004 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2COc3ccccc3C2)CC1 ZINC000177156711 442306814 /nfs/dbraw/zinc/30/68/14/442306814.db2.gz ANXKIHGHUSYULG-INIZCTEOSA-N 2 2 331.460 1.380 20 0 EDADLP CCCCNC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153951544 442312736 /nfs/dbraw/zinc/31/27/36/442312736.db2.gz DBFOBVMAFKVWQN-BZSNNMDCSA-N 2 2 338.540 1.782 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134167242 442454562 /nfs/dbraw/zinc/45/45/62/442454562.db2.gz ZSRRNKFLLCKIBU-CABCVRRESA-N 2 2 348.495 1.358 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000156207266 442454943 /nfs/dbraw/zinc/45/49/43/442454943.db2.gz JDLWALMQYJXMNS-INIZCTEOSA-N 2 2 342.447 1.749 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000156207266 442454946 /nfs/dbraw/zinc/45/49/46/442454946.db2.gz JDLWALMQYJXMNS-INIZCTEOSA-N 2 2 342.447 1.749 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156202715 442455030 /nfs/dbraw/zinc/45/50/30/442455030.db2.gz QHTUJWFLEXHMRR-IAGOWNOFSA-N 2 2 326.444 1.735 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCCS(N)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000172574674 442494804 /nfs/dbraw/zinc/49/48/04/442494804.db2.gz WHXZSDDIZCYLDE-RDJZCZTQSA-N 2 2 339.505 1.650 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCCS(N)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000172574674 442494805 /nfs/dbraw/zinc/49/48/05/442494805.db2.gz WHXZSDDIZCYLDE-RDJZCZTQSA-N 2 2 339.505 1.650 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CCCS(N)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000172574674 442494807 /nfs/dbraw/zinc/49/48/07/442494807.db2.gz WHXZSDDIZCYLDE-RDJZCZTQSA-N 2 2 339.505 1.650 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CCCS(N)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000172574674 442494808 /nfs/dbraw/zinc/49/48/08/442494808.db2.gz WHXZSDDIZCYLDE-RDJZCZTQSA-N 2 2 339.505 1.650 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C[NH2+]CC3CC3)CC2)cc(OC)c1 ZINC000178852550 442502482 /nfs/dbraw/zinc/50/24/82/442502482.db2.gz XJNSBOXJTURQJX-UHFFFAOYSA-N 2 2 347.459 1.348 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000180214163 442559205 /nfs/dbraw/zinc/55/92/05/442559205.db2.gz VMQZJIJBKNBRRP-HOCLYGCPSA-N 2 2 342.447 1.035 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000180214163 442559208 /nfs/dbraw/zinc/55/92/08/442559208.db2.gz VMQZJIJBKNBRRP-HOCLYGCPSA-N 2 2 342.447 1.035 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178881906 442513342 /nfs/dbraw/zinc/51/33/42/442513342.db2.gz LHBAFQBFNGPNIL-QGZVFWFLSA-N 2 2 344.503 1.060 20 0 EDADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000178907866 442521905 /nfs/dbraw/zinc/52/19/05/442521905.db2.gz ANJXHDIYWMCMSA-BFYDXBDKSA-N 2 2 347.459 1.426 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCCn1cc[nH+]c1 ZINC000178925546 442527674 /nfs/dbraw/zinc/52/76/74/442527674.db2.gz ACRJMNYSDBAQGC-UHFFFAOYSA-N 2 2 337.468 1.273 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134866189 442529739 /nfs/dbraw/zinc/52/97/39/442529739.db2.gz IJVWBMLRFVQCQW-SQWLQELKSA-N 2 2 336.480 1.558 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134866189 442529743 /nfs/dbraw/zinc/52/97/43/442529743.db2.gz IJVWBMLRFVQCQW-SQWLQELKSA-N 2 2 336.480 1.558 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134866189 442529745 /nfs/dbraw/zinc/52/97/45/442529745.db2.gz IJVWBMLRFVQCQW-SQWLQELKSA-N 2 2 336.480 1.558 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134866189 442529748 /nfs/dbraw/zinc/52/97/48/442529748.db2.gz IJVWBMLRFVQCQW-SQWLQELKSA-N 2 2 336.480 1.558 20 0 EDADLP COC(=O)[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192020943 442571509 /nfs/dbraw/zinc/57/15/09/442571509.db2.gz FPJRJNOFGSYFGO-DLBZAZTESA-N 2 2 329.400 1.943 20 0 EDADLP COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192020943 442571514 /nfs/dbraw/zinc/57/15/14/442571514.db2.gz FPJRJNOFGSYFGO-DLBZAZTESA-N 2 2 329.400 1.943 20 0 EDADLP C[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[NH+]1CCSCC1 ZINC000179163036 442586632 /nfs/dbraw/zinc/58/66/32/442586632.db2.gz INFUHLVEWJOOSN-ZDUSSCGKSA-N 2 2 331.445 1.321 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000186708632 442596524 /nfs/dbraw/zinc/59/65/24/442596524.db2.gz LIJUKMNKBMLADY-DNVCBOLYSA-N 2 2 346.475 1.699 20 0 EDADLP Cc1ncc(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000179382939 442638031 /nfs/dbraw/zinc/63/80/31/442638031.db2.gz CJNPZUMJJXTZOT-UHFFFAOYSA-N 2 2 332.477 1.625 20 0 EDADLP Cc1ncc(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000179382939 442638037 /nfs/dbraw/zinc/63/80/37/442638037.db2.gz CJNPZUMJJXTZOT-UHFFFAOYSA-N 2 2 332.477 1.625 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H]2CCc3ccccc3C2)CN1CC[NH+]1CCOCC1 ZINC000181034253 442676667 /nfs/dbraw/zinc/67/66/67/442676667.db2.gz QSAKFYRWRLYOJD-RBUKOAKNSA-N 2 2 343.471 1.067 20 0 EDADLP CCC[C@@H](C)CS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000181066117 442678809 /nfs/dbraw/zinc/67/88/09/442678809.db2.gz DVXODUBWZSHLSY-OAHLLOKOSA-N 2 2 333.542 1.710 20 0 EDADLP CCC[C@@H](C)CS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000181066117 442678811 /nfs/dbraw/zinc/67/88/11/442678811.db2.gz DVXODUBWZSHLSY-OAHLLOKOSA-N 2 2 333.542 1.710 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000192716402 442679844 /nfs/dbraw/zinc/67/98/44/442679844.db2.gz JZGMUVXGSBWJHW-SFHVURJKSA-N 2 2 347.503 1.924 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000192782004 442686036 /nfs/dbraw/zinc/68/60/36/442686036.db2.gz QKWPPHYAXYNZTQ-GASCZTMLSA-N 2 2 330.432 1.492 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)Cc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000192782004 442686039 /nfs/dbraw/zinc/68/60/39/442686039.db2.gz QKWPPHYAXYNZTQ-GASCZTMLSA-N 2 2 330.432 1.492 20 0 EDADLP CC(C)N1CC[NH+](CCCN2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000192838751 442691600 /nfs/dbraw/zinc/69/16/00/442691600.db2.gz TUYRILBSHJRTDS-GOSISDBHSA-N 2 2 340.556 1.180 20 0 EDADLP CC(C)N1CC[NH+](CCCN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000192838751 442691601 /nfs/dbraw/zinc/69/16/01/442691601.db2.gz TUYRILBSHJRTDS-GOSISDBHSA-N 2 2 340.556 1.180 20 0 EDADLP COCCC[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000181552258 442703130 /nfs/dbraw/zinc/70/31/30/442703130.db2.gz XTWIFJWCFBWYIG-HNNXBMFYSA-N 2 2 325.497 1.724 20 0 EDADLP COC(=O)c1sccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180937294 442670439 /nfs/dbraw/zinc/67/04/39/442670439.db2.gz AEZNKZTVZKRKSJ-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP COC(=O)c1sccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180937294 442670441 /nfs/dbraw/zinc/67/04/41/442670441.db2.gz AEZNKZTVZKRKSJ-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000188209322 442724778 /nfs/dbraw/zinc/72/47/78/442724778.db2.gz ZFHQZHIUKPDPLV-DOTOQJQBSA-N 2 2 349.450 1.279 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)CC[C@H](C)[NH3+])c2[nH+]ccn2C)c1 ZINC000193293516 442730617 /nfs/dbraw/zinc/73/06/17/442730617.db2.gz MCZPGMYOSFXHPW-YVEFUNNKSA-N 2 2 346.431 1.770 20 0 EDADLP C[C@H]([NH3+])CCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000193304970 442731215 /nfs/dbraw/zinc/73/12/15/442731215.db2.gz CBZZVAPJKDOWNP-HNNXBMFYSA-N 2 2 335.448 1.141 20 0 EDADLP CCC(C)(C)NC(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276024 442732201 /nfs/dbraw/zinc/73/22/01/442732201.db2.gz ATCUMYMZVQGZCI-FQEVSTJZSA-N 2 2 347.503 1.860 20 0 EDADLP CCC(C)(C)NC(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276024 442732203 /nfs/dbraw/zinc/73/22/03/442732203.db2.gz ATCUMYMZVQGZCI-FQEVSTJZSA-N 2 2 347.503 1.860 20 0 EDADLP CCC(C)(C)NC(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188276024 442732205 /nfs/dbraw/zinc/73/22/05/442732205.db2.gz ATCUMYMZVQGZCI-FQEVSTJZSA-N 2 2 347.503 1.860 20 0 EDADLP CCC(C)(C)NC(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188276024 442732206 /nfs/dbraw/zinc/73/22/06/442732206.db2.gz ATCUMYMZVQGZCI-FQEVSTJZSA-N 2 2 347.503 1.860 20 0 EDADLP C[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCCNC1=O ZINC000188283290 442733542 /nfs/dbraw/zinc/73/35/42/442733542.db2.gz XKHNJYBCOXFZAS-MJGOQNOKSA-N 2 2 331.460 1.224 20 0 EDADLP C[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCCNC1=O ZINC000188283290 442733543 /nfs/dbraw/zinc/73/35/43/442733543.db2.gz XKHNJYBCOXFZAS-MJGOQNOKSA-N 2 2 331.460 1.224 20 0 EDADLP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCNC1=O ZINC000188283290 442733544 /nfs/dbraw/zinc/73/35/44/442733544.db2.gz XKHNJYBCOXFZAS-MJGOQNOKSA-N 2 2 331.460 1.224 20 0 EDADLP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCNC1=O ZINC000188283290 442733545 /nfs/dbraw/zinc/73/35/45/442733545.db2.gz XKHNJYBCOXFZAS-MJGOQNOKSA-N 2 2 331.460 1.224 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3csnn3)c2)C1 ZINC000182203065 442745056 /nfs/dbraw/zinc/74/50/56/442745056.db2.gz AKXKBOJGGQMGGV-OAHLLOKOSA-N 2 2 345.472 1.525 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3csnn3)c2)C1 ZINC000182203065 442745059 /nfs/dbraw/zinc/74/50/59/442745059.db2.gz AKXKBOJGGQMGGV-OAHLLOKOSA-N 2 2 345.472 1.525 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC(=O)Nc1ccccc1 ZINC000265487632 442792571 /nfs/dbraw/zinc/79/25/71/442792571.db2.gz MFNBXLBAHWFMLX-UHFFFAOYSA-N 2 2 327.388 1.937 20 0 EDADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CC1 ZINC000246585987 442794939 /nfs/dbraw/zinc/79/49/39/442794939.db2.gz MHQYHQRLSIWQBW-IAGOWNOFSA-N 2 2 343.537 1.748 20 0 EDADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CC1 ZINC000246585987 442794942 /nfs/dbraw/zinc/79/49/42/442794942.db2.gz MHQYHQRLSIWQBW-IAGOWNOFSA-N 2 2 343.537 1.748 20 0 EDADLP O=C(CN1CC[NH+](CCCn2cc[nH+]c2)CC1)Nc1ccc(F)cc1 ZINC000182624632 442797219 /nfs/dbraw/zinc/79/72/19/442797219.db2.gz NWUZFGZAGGQNMF-UHFFFAOYSA-N 2 2 345.422 1.669 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000268058498 442832891 /nfs/dbraw/zinc/83/28/91/442832891.db2.gz ONVKGNVDMDDXOR-HNNXBMFYSA-N 2 2 330.432 1.581 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188881215 442834367 /nfs/dbraw/zinc/83/43/67/442834367.db2.gz ZRKJYKMAMFKHFZ-UHFFFAOYSA-N 2 2 341.459 1.779 20 0 EDADLP CCCCC[N@@H+](CC(N)=O)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000183039990 442869143 /nfs/dbraw/zinc/86/91/43/442869143.db2.gz BAVQBQRBWHDAAV-INIZCTEOSA-N 2 2 346.475 1.992 20 0 EDADLP CCCCC[N@H+](CC(N)=O)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000183039990 442869147 /nfs/dbraw/zinc/86/91/47/442869147.db2.gz BAVQBQRBWHDAAV-INIZCTEOSA-N 2 2 346.475 1.992 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000265728345 442897506 /nfs/dbraw/zinc/89/75/06/442897506.db2.gz POKKXLGXWCWBEG-AEFFLSMTSA-N 2 2 333.476 1.764 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000265728345 442897510 /nfs/dbraw/zinc/89/75/10/442897510.db2.gz POKKXLGXWCWBEG-AEFFLSMTSA-N 2 2 333.476 1.764 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182751387 318512414 /nfs/dbraw/zinc/51/24/14/318512414.db2.gz CDEWCEJDJCYRHP-INIZCTEOSA-N 2 2 333.480 1.338 20 0 EDADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1C ZINC000251994299 443021244 /nfs/dbraw/zinc/02/12/44/443021244.db2.gz WEGQKTXTSMUSSZ-YESZJQIVSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@@H]1C[C@H](NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869542 443132837 /nfs/dbraw/zinc/13/28/37/443132837.db2.gz GALUUZNKFFFOPF-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869542 443132843 /nfs/dbraw/zinc/13/28/43/443132843.db2.gz GALUUZNKFFFOPF-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000268869542 443132846 /nfs/dbraw/zinc/13/28/46/443132846.db2.gz GALUUZNKFFFOPF-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H](NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000268869542 443132852 /nfs/dbraw/zinc/13/28/52/443132852.db2.gz GALUUZNKFFFOPF-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869542 443132856 /nfs/dbraw/zinc/13/28/56/443132856.db2.gz GALUUZNKFFFOPF-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869542 443132860 /nfs/dbraw/zinc/13/28/60/443132860.db2.gz GALUUZNKFFFOPF-RLLQIKCJSA-N 2 2 330.520 1.875 20 0 EDADLP CC1CC[NH+](Cc2ccc(NC(=O)CN3CC[NH2+]CC3=O)cc2)CC1 ZINC000236636489 443142278 /nfs/dbraw/zinc/14/22/78/443142278.db2.gz VMXMBBXKGADHDJ-UHFFFAOYSA-N 2 2 344.459 1.289 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1NC(C)=O ZINC000268908130 443144314 /nfs/dbraw/zinc/14/43/14/443144314.db2.gz MFBNYENXOLJZEL-CZUORRHYSA-N 2 2 334.464 1.550 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1NC(C)=O ZINC000268908130 443144315 /nfs/dbraw/zinc/14/43/15/443144315.db2.gz MFBNYENXOLJZEL-CZUORRHYSA-N 2 2 334.464 1.550 20 0 EDADLP CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000268798946 443111906 /nfs/dbraw/zinc/11/19/06/443111906.db2.gz HCDAQALQEAVRIS-INIZCTEOSA-N 2 2 341.459 1.687 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261966103 443176097 /nfs/dbraw/zinc/17/60/97/443176097.db2.gz QBBOVHFGAAASAQ-IPMKNSEASA-N 3 2 338.540 1.007 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269029071 443176950 /nfs/dbraw/zinc/17/69/50/443176950.db2.gz RFEQJDSXLBKBCS-GOEBONIOSA-N 2 2 348.472 1.947 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)[nH+]1 ZINC000269034273 443178671 /nfs/dbraw/zinc/17/86/71/443178671.db2.gz VDHCWTZNTGDQOE-ZBFHGGJFSA-N 2 2 330.432 1.580 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)[nH+]1 ZINC000269034273 443178675 /nfs/dbraw/zinc/17/86/75/443178675.db2.gz VDHCWTZNTGDQOE-ZBFHGGJFSA-N 2 2 330.432 1.580 20 0 EDADLP C[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000301587221 318915187 /nfs/dbraw/zinc/91/51/87/318915187.db2.gz RTQBCFFTRZEZBK-HOTGVXAUSA-N 2 2 331.464 1.624 20 0 EDADLP C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191052478 443231532 /nfs/dbraw/zinc/23/15/32/443231532.db2.gz ZNOGSRPHNJJUIA-NWDGAFQWSA-N 2 2 346.401 1.978 20 0 EDADLP C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000191052478 443231534 /nfs/dbraw/zinc/23/15/34/443231534.db2.gz ZNOGSRPHNJJUIA-NWDGAFQWSA-N 2 2 346.401 1.978 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245546083 443235245 /nfs/dbraw/zinc/23/52/45/443235245.db2.gz MZJIYGQFSAIIBV-DLBZAZTESA-N 2 2 343.475 1.788 20 0 EDADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384870725 319127475 /nfs/dbraw/zinc/12/74/75/319127475.db2.gz OTRPUOSWDRZJSR-UHFFFAOYSA-N 2 2 340.265 1.829 20 0 EDADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384870725 319127476 /nfs/dbraw/zinc/12/74/76/319127476.db2.gz OTRPUOSWDRZJSR-UHFFFAOYSA-N 2 2 340.265 1.829 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000411222206 319170902 /nfs/dbraw/zinc/17/09/02/319170902.db2.gz NNAVXCCKMYHTJJ-UHFFFAOYSA-N 2 2 329.404 1.216 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000411222206 319170904 /nfs/dbraw/zinc/17/09/04/319170904.db2.gz NNAVXCCKMYHTJJ-UHFFFAOYSA-N 2 2 329.404 1.216 20 0 EDADLP C[N@H+]([C@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](CCO)CC1 ZINC000411240625 319173078 /nfs/dbraw/zinc/17/30/78/319173078.db2.gz OGWZKKJMVWWSLV-KRWDZBQOSA-N 2 2 335.423 1.320 20 0 EDADLP C[N@@H+]([C@H]1CCN(c2ccc(F)cc2)C1=O)C1CC[NH+](CCO)CC1 ZINC000411240625 319173080 /nfs/dbraw/zinc/17/30/80/319173080.db2.gz OGWZKKJMVWWSLV-KRWDZBQOSA-N 2 2 335.423 1.320 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266810760 443251876 /nfs/dbraw/zinc/25/18/76/443251876.db2.gz FWLONAOFIAKTCD-WMZOPIPTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266810760 443251880 /nfs/dbraw/zinc/25/18/80/443251880.db2.gz FWLONAOFIAKTCD-WMZOPIPTSA-N 2 2 333.476 1.422 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269255265 443252961 /nfs/dbraw/zinc/25/29/61/443252961.db2.gz JDRDJZHNJUAMQN-LLVKDONJSA-N 2 2 334.342 1.172 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@H]([C@H](C)O)C3)c2cc1C ZINC000412076235 319223662 /nfs/dbraw/zinc/22/36/62/319223662.db2.gz NQTLAUJPMZSIGO-DAYGRLMNSA-N 2 2 333.432 1.096 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@H]([C@H](C)O)C3)c2cc1C ZINC000412076235 319223664 /nfs/dbraw/zinc/22/36/64/319223664.db2.gz NQTLAUJPMZSIGO-DAYGRLMNSA-N 2 2 333.432 1.096 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCCC[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000413032529 319258520 /nfs/dbraw/zinc/25/85/20/319258520.db2.gz KMFQFWXCOWCUBB-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCCC[NH+]3CCCCC3)[nH+]cn2)C1 ZINC000413032529 319258521 /nfs/dbraw/zinc/25/85/21/319258521.db2.gz KMFQFWXCOWCUBB-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP COc1ccc([C@H](CCn2cncn2)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414123796 319317490 /nfs/dbraw/zinc/31/74/90/319317490.db2.gz JUOCKMPFPOVBBW-SFHVURJKSA-N 2 2 340.431 1.984 20 0 EDADLP C[C@@H]1CC(O)C[C@H](C)[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000191196468 443257125 /nfs/dbraw/zinc/25/71/25/443257125.db2.gz ZQJKZCZJGCLZAG-SJPCQFCGSA-N 2 2 346.475 1.354 20 0 EDADLP C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000191196468 443257130 /nfs/dbraw/zinc/25/71/30/443257130.db2.gz ZQJKZCZJGCLZAG-SJPCQFCGSA-N 2 2 346.475 1.354 20 0 EDADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000414674818 319339811 /nfs/dbraw/zinc/33/98/11/319339811.db2.gz FGRJCHCSAOGLRT-FGTMMUONSA-N 2 2 338.540 1.482 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415693255 319364622 /nfs/dbraw/zinc/36/46/22/319364622.db2.gz HSTWAMQNLBQXRW-LBPRGKRZSA-N 2 2 343.431 1.425 20 0 EDADLP CO[C@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000191361346 443284594 /nfs/dbraw/zinc/28/45/94/443284594.db2.gz RBDFYXXLRITILY-RDJZCZTQSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264417775 443284704 /nfs/dbraw/zinc/28/47/04/443284704.db2.gz JKOXHGFMXWENLE-INIZCTEOSA-N 2 2 341.459 1.297 20 0 EDADLP CN(C(=O)c1ccccc1C[NH+]1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000266911018 443287980 /nfs/dbraw/zinc/28/79/80/443287980.db2.gz SJNKRRYHUBOKAE-KRWDZBQOSA-N 2 2 331.460 1.685 20 0 EDADLP CN(C(=O)c1ccccc1C[NH+]1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000266911018 443287984 /nfs/dbraw/zinc/28/79/84/443287984.db2.gz SJNKRRYHUBOKAE-KRWDZBQOSA-N 2 2 331.460 1.685 20 0 EDADLP C[C@H](C(=O)NCc1cccs1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266968389 443305947 /nfs/dbraw/zinc/30/59/47/443305947.db2.gz YYEZOSDZLWRNGJ-CYBMUJFWSA-N 2 2 333.461 1.309 20 0 EDADLP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266968391 443306147 /nfs/dbraw/zinc/30/61/47/443306147.db2.gz YYEZOSDZLWRNGJ-ZDUSSCGKSA-N 2 2 333.461 1.309 20 0 EDADLP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCCCC1 ZINC000416814740 319463220 /nfs/dbraw/zinc/46/32/20/319463220.db2.gz FTYCTWDULRTWMK-CYBMUJFWSA-N 2 2 332.439 1.795 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416888023 319469401 /nfs/dbraw/zinc/46/94/01/319469401.db2.gz PKOOEBKXNWUVJA-IRXDYDNUSA-N 2 2 334.464 1.405 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[NH2+]CC1)c1ccc(F)cc1 ZINC000416916073 319473779 /nfs/dbraw/zinc/47/37/79/319473779.db2.gz IWEOYZZSOPYVJN-OAHLLOKOSA-N 2 2 331.395 1.654 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000416931270 319477640 /nfs/dbraw/zinc/47/76/40/319477640.db2.gz KWQTWOGIGREQPZ-UONOGXRCSA-N 2 2 347.463 1.124 20 0 EDADLP [NH3+]CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(F)F ZINC000416939506 319479735 /nfs/dbraw/zinc/47/97/35/319479735.db2.gz NDESQYVFBFQXEP-LBPRGKRZSA-N 2 2 327.379 1.464 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417266698 319488796 /nfs/dbraw/zinc/48/87/96/319488796.db2.gz FNBBFVLXRYCDAY-OCCSQVGLSA-N 2 2 331.395 1.890 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H](CNC(=O)CCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000267107019 443343018 /nfs/dbraw/zinc/34/30/18/443343018.db2.gz MGLSGNKTSCOBMF-HUUCEWRRSA-N 2 2 348.472 1.913 20 0 EDADLP C[C@@H]1C[N@H+]([C@H](CNC(=O)CCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000267107019 443343021 /nfs/dbraw/zinc/34/30/21/443343021.db2.gz MGLSGNKTSCOBMF-HUUCEWRRSA-N 2 2 348.472 1.913 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CCSC1 ZINC000267200434 443376381 /nfs/dbraw/zinc/37/63/81/443376381.db2.gz QIGITTLRQCIFNQ-QGZVFWFLSA-N 2 2 349.504 1.351 20 0 EDADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000419964602 319607713 /nfs/dbraw/zinc/60/77/13/319607713.db2.gz IWKZNRUFURQIGA-HUUCEWRRSA-N 2 2 347.463 1.140 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000420371099 319612124 /nfs/dbraw/zinc/61/21/24/319612124.db2.gz ZMAMIXMNOYACNZ-KRWDZBQOSA-N 2 2 341.459 1.658 20 0 EDADLP C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000272720255 443420885 /nfs/dbraw/zinc/42/08/85/443420885.db2.gz ZFYWQIZWZKERNH-PKOBYXMFSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000272720255 443420888 /nfs/dbraw/zinc/42/08/88/443420888.db2.gz ZFYWQIZWZKERNH-PKOBYXMFSA-N 2 2 345.487 1.566 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2nccs2)CC1 ZINC000267266187 443398570 /nfs/dbraw/zinc/39/85/70/443398570.db2.gz DONNOYOBASQJQA-UHFFFAOYSA-N 2 2 325.482 1.011 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3nccnc3c2)CC1 ZINC000267287942 443406009 /nfs/dbraw/zinc/40/60/09/443406009.db2.gz USHMUMLFGMYCQG-UHFFFAOYSA-N 2 2 327.432 1.386 20 0 EDADLP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1cc(Br)ccc1F ZINC000423160771 319753310 /nfs/dbraw/zinc/75/33/10/319753310.db2.gz NAWQJKBTJZLCPA-GXFFZTMASA-N 2 2 331.229 1.691 20 0 EDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000283079486 443516541 /nfs/dbraw/zinc/51/65/41/443516541.db2.gz CHFMAYGMRCFNQI-OAHLLOKOSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000283079486 443516543 /nfs/dbraw/zinc/51/65/43/443516543.db2.gz CHFMAYGMRCFNQI-OAHLLOKOSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C2CC2)O1 ZINC000279275410 443547671 /nfs/dbraw/zinc/54/76/71/443547671.db2.gz JPODQNQIGPIXPP-ATZDWAIDSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C2CC2)O1 ZINC000279275410 443547672 /nfs/dbraw/zinc/54/76/72/443547672.db2.gz JPODQNQIGPIXPP-ATZDWAIDSA-N 2 2 345.487 1.905 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000279512220 443597100 /nfs/dbraw/zinc/59/71/00/443597100.db2.gz UKUXKIPMKMKYRG-UHFFFAOYSA-N 2 2 341.459 1.821 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Br)cn1)C1CC1 ZINC000430547833 319932642 /nfs/dbraw/zinc/93/26/42/319932642.db2.gz APOLTCXBHFAWFO-ZDUSSCGKSA-N 2 2 327.226 1.500 20 0 EDADLP Cc1nc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)n[nH]1 ZINC000272357045 443601767 /nfs/dbraw/zinc/60/17/67/443601767.db2.gz AZMWKLIMOGZAQC-UHFFFAOYSA-N 2 2 348.882 1.851 20 0 EDADLP Cc1nnc(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)[nH]1 ZINC000272357045 443601770 /nfs/dbraw/zinc/60/17/70/443601770.db2.gz AZMWKLIMOGZAQC-UHFFFAOYSA-N 2 2 348.882 1.851 20 0 EDADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCN1CCOCC1 ZINC000286167160 443659906 /nfs/dbraw/zinc/65/99/06/443659906.db2.gz YIQZBPWVNLSAOC-UHFFFAOYSA-N 2 2 346.519 1.463 20 0 EDADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCN1CCOCC1 ZINC000286167160 443659910 /nfs/dbraw/zinc/65/99/10/443659910.db2.gz YIQZBPWVNLSAOC-UHFFFAOYSA-N 2 2 346.519 1.463 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000440123839 320063861 /nfs/dbraw/zinc/06/38/61/320063861.db2.gz YMUKGGFDCLDAJB-OAHLLOKOSA-N 2 2 344.484 1.894 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000440263190 320066707 /nfs/dbraw/zinc/06/67/07/320066707.db2.gz ZOXLZEDRDOVANS-NZSAHSFTSA-N 2 2 349.519 1.963 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000440263190 320066710 /nfs/dbraw/zinc/06/67/10/320066710.db2.gz ZOXLZEDRDOVANS-NZSAHSFTSA-N 2 2 349.519 1.963 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443972434 320117583 /nfs/dbraw/zinc/11/75/83/320117583.db2.gz MMTYNHHGMQJOHE-SNVBAGLBSA-N 2 2 336.383 1.591 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443972434 320117584 /nfs/dbraw/zinc/11/75/84/320117584.db2.gz MMTYNHHGMQJOHE-SNVBAGLBSA-N 2 2 336.383 1.591 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389347 320186868 /nfs/dbraw/zinc/18/68/68/320186868.db2.gz SBYKHPKLAUOKQP-JKSUJKDBSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389347 320186869 /nfs/dbraw/zinc/18/68/69/320186869.db2.gz SBYKHPKLAUOKQP-JKSUJKDBSA-N 2 2 349.475 1.849 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC000449386477 320186898 /nfs/dbraw/zinc/18/68/98/320186898.db2.gz IOSGBORIPRBESQ-LTIDMASMSA-N 2 2 326.481 1.791 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC000449386477 320186899 /nfs/dbraw/zinc/18/68/99/320186899.db2.gz IOSGBORIPRBESQ-LTIDMASMSA-N 2 2 326.481 1.791 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@@H]3CCCC[N@@H+]3CCO)cn2)cc1 ZINC000449396456 320188550 /nfs/dbraw/zinc/18/85/50/320188550.db2.gz LNQVKIPHXUPADO-SFHVURJKSA-N 2 2 344.459 1.817 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@@H]3CCCC[N@H+]3CCO)cn2)cc1 ZINC000449396456 320188554 /nfs/dbraw/zinc/18/85/54/320188554.db2.gz LNQVKIPHXUPADO-SFHVURJKSA-N 2 2 344.459 1.817 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449441525 320190764 /nfs/dbraw/zinc/19/07/64/320190764.db2.gz GTWBUBRGNVVPCT-USXIJHARSA-N 2 2 339.505 1.739 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449441525 320190766 /nfs/dbraw/zinc/19/07/66/320190766.db2.gz GTWBUBRGNVVPCT-USXIJHARSA-N 2 2 339.505 1.739 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1-n1ccnn1 ZINC000453262241 320261438 /nfs/dbraw/zinc/26/14/38/320261438.db2.gz KNPWJRGWRTXZJA-JKSUJKDBSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccccc1-n1ccnn1 ZINC000453262241 320261439 /nfs/dbraw/zinc/26/14/39/320261439.db2.gz KNPWJRGWRTXZJA-JKSUJKDBSA-N 2 2 329.448 1.765 20 0 EDADLP CCC[C@@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000454457401 320288913 /nfs/dbraw/zinc/28/89/13/320288913.db2.gz OMFAHKLCWVKOPD-KRWDZBQOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@H](C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000457095172 320319564 /nfs/dbraw/zinc/31/95/64/320319564.db2.gz PSLSULTVFRVVPM-BRWVUGGUSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@H](C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000457095172 320319565 /nfs/dbraw/zinc/31/95/65/320319565.db2.gz PSLSULTVFRVVPM-BRWVUGGUSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000457095172 320319566 /nfs/dbraw/zinc/31/95/66/320319566.db2.gz PSLSULTVFRVVPM-BRWVUGGUSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000457095172 320319567 /nfs/dbraw/zinc/31/95/67/320319567.db2.gz PSLSULTVFRVVPM-BRWVUGGUSA-N 2 2 325.497 1.817 20 0 EDADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC000457580482 320329171 /nfs/dbraw/zinc/32/91/71/320329171.db2.gz YZKKXCAIVSVMIU-FZKCQIBNSA-N 2 2 340.512 1.608 20 0 EDADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC000457580482 320329172 /nfs/dbraw/zinc/32/91/72/320329172.db2.gz YZKKXCAIVSVMIU-FZKCQIBNSA-N 2 2 340.512 1.608 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC000458695094 320338642 /nfs/dbraw/zinc/33/86/42/320338642.db2.gz RZAIVQUARFWMMS-ZDUSSCGKSA-N 2 2 338.883 1.947 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC000458695094 320338643 /nfs/dbraw/zinc/33/86/43/320338643.db2.gz RZAIVQUARFWMMS-ZDUSSCGKSA-N 2 2 338.883 1.947 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cn1 ZINC000489785956 320362085 /nfs/dbraw/zinc/36/20/85/320362085.db2.gz ZEDNXWNCARHCJL-SJORKVTESA-N 2 2 348.495 1.120 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000516865163 320442144 /nfs/dbraw/zinc/44/21/44/320442144.db2.gz RMKJUGIEZQJMKV-FUHWJXTLSA-N 2 2 333.476 1.873 20 0 EDADLP CC[C@H]1CO[C@@H](C)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298268909 443734842 /nfs/dbraw/zinc/73/48/42/443734842.db2.gz GDYRWTLCXDFBQM-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP CCCn1nccc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381136 450406808 /nfs/dbraw/zinc/40/68/08/450406808.db2.gz KDOPZGYOOUARSD-UHFFFAOYSA-N 2 2 347.507 1.925 20 0 EDADLP CCCn1nccc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381136 450406810 /nfs/dbraw/zinc/40/68/10/450406810.db2.gz KDOPZGYOOUARSD-UHFFFAOYSA-N 2 2 347.507 1.925 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528370005 320544888 /nfs/dbraw/zinc/54/48/88/320544888.db2.gz BDFSPVVDOPVONK-UHFFFAOYSA-N 2 2 337.439 1.304 20 0 EDADLP CC[N@H+](CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)C1CC1 ZINC000276602402 443762082 /nfs/dbraw/zinc/76/20/82/443762082.db2.gz VNNFBSBYJIGJJN-MRXNPFEDSA-N 2 2 346.479 1.177 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1)C1CC1 ZINC000276602402 443762086 /nfs/dbraw/zinc/76/20/86/443762086.db2.gz VNNFBSBYJIGJJN-MRXNPFEDSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+](CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)C1CC1 ZINC000276602402 443762089 /nfs/dbraw/zinc/76/20/89/443762089.db2.gz VNNFBSBYJIGJJN-MRXNPFEDSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+](CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)C1CC1 ZINC000276602402 443762094 /nfs/dbraw/zinc/76/20/94/443762094.db2.gz VNNFBSBYJIGJJN-MRXNPFEDSA-N 2 2 346.479 1.177 20 0 EDADLP c1cn(CCC[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c[nH+]1 ZINC000280932891 443777564 /nfs/dbraw/zinc/77/75/64/443777564.db2.gz VHVVXDWMJDDEKY-MOPGFXCFSA-N 2 2 326.444 1.858 20 0 EDADLP c1cn(CCC[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c[nH+]1 ZINC000280932891 443777566 /nfs/dbraw/zinc/77/75/66/443777566.db2.gz VHVVXDWMJDDEKY-MOPGFXCFSA-N 2 2 326.444 1.858 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000298669050 443833144 /nfs/dbraw/zinc/83/31/44/443833144.db2.gz IHBFHUDNDDWSAG-NVXWUHKLSA-N 2 2 327.432 1.970 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000298669050 443833146 /nfs/dbraw/zinc/83/31/46/443833146.db2.gz IHBFHUDNDDWSAG-NVXWUHKLSA-N 2 2 327.432 1.970 20 0 EDADLP CCc1noc(C)c1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000292965104 443889678 /nfs/dbraw/zinc/88/96/78/443889678.db2.gz LUGVTJBIHUFHON-UHFFFAOYSA-N 2 2 330.436 1.377 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cncc(F)c3)CC2)CC1 ZINC000281271510 443864852 /nfs/dbraw/zinc/86/48/52/443864852.db2.gz BDMCZKRYLMJXGQ-UHFFFAOYSA-N 2 2 335.427 1.901 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288515155 443904872 /nfs/dbraw/zinc/90/48/72/443904872.db2.gz QZNIFKDQTGWMHA-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288515155 443904873 /nfs/dbraw/zinc/90/48/73/443904873.db2.gz QZNIFKDQTGWMHA-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288515155 443904877 /nfs/dbraw/zinc/90/48/77/443904877.db2.gz QZNIFKDQTGWMHA-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288515155 443904880 /nfs/dbraw/zinc/90/48/80/443904880.db2.gz QZNIFKDQTGWMHA-WMZOPIPTSA-N 2 2 331.460 1.440 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000293137886 443934241 /nfs/dbraw/zinc/93/42/41/443934241.db2.gz NHHAQKSBGJXKLO-SFHVURJKSA-N 2 2 331.460 1.178 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](O)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000293137886 443934247 /nfs/dbraw/zinc/93/42/47/443934247.db2.gz NHHAQKSBGJXKLO-SFHVURJKSA-N 2 2 331.460 1.178 20 0 EDADLP c1ccc2c(c1)CC[N@H+](CCNc1cc(N3CCOCC3)[nH+]cn1)C2 ZINC000277319585 443963663 /nfs/dbraw/zinc/96/36/63/443963663.db2.gz DHZMWHKIQBYCGH-UHFFFAOYSA-N 2 2 339.443 1.783 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC2([NH+]3CCOCC3)CC2)[nH+]c1 ZINC000277322317 443965344 /nfs/dbraw/zinc/96/53/44/443965344.db2.gz DMYAQMQNGZUKOH-UHFFFAOYSA-N 2 2 347.463 1.356 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000288741221 443969348 /nfs/dbraw/zinc/96/93/48/443969348.db2.gz BMJBXYAVYJWHCR-SZMVWBNQSA-N 2 2 347.507 1.223 20 0 EDADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000548307071 320872224 /nfs/dbraw/zinc/87/22/24/320872224.db2.gz OSRKPCDTNZVUGD-ZFWWWQNUSA-N 2 2 348.472 1.799 20 0 EDADLP CCN1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548350449 320877184 /nfs/dbraw/zinc/87/71/84/320877184.db2.gz MDESBVMSTLEWFU-LVQVYYBASA-N 2 2 333.480 1.876 20 0 EDADLP C[N@H+](CC(=O)NC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285673989 444067970 /nfs/dbraw/zinc/06/79/70/444067970.db2.gz ZZYRKYGUGSJKEP-XYPWUTKMSA-N 2 2 330.432 1.892 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285673989 444067972 /nfs/dbraw/zinc/06/79/72/444067972.db2.gz ZZYRKYGUGSJKEP-XYPWUTKMSA-N 2 2 330.432 1.892 20 0 EDADLP C[NH+](CC(=O)NC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285673989 444067974 /nfs/dbraw/zinc/06/79/74/444067974.db2.gz ZZYRKYGUGSJKEP-XYPWUTKMSA-N 2 2 330.432 1.892 20 0 EDADLP C[NH+](CC(=O)NC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285673989 444067975 /nfs/dbraw/zinc/06/79/75/444067975.db2.gz ZZYRKYGUGSJKEP-XYPWUTKMSA-N 2 2 330.432 1.892 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289228824 444082325 /nfs/dbraw/zinc/08/23/25/444082325.db2.gz CWXQFDHUBAGHKD-YJBOKZPZSA-N 2 2 330.432 1.775 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O ZINC000289228824 444082330 /nfs/dbraw/zinc/08/23/30/444082330.db2.gz CWXQFDHUBAGHKD-YJBOKZPZSA-N 2 2 330.432 1.775 20 0 EDADLP CCNc1nc(NC[C@H](c2ccco2)[NH+](C)C)nc(NC(C)(C)C)[nH+]1 ZINC000561106104 321032684 /nfs/dbraw/zinc/03/26/84/321032684.db2.gz UMBOJSOMKURGEP-GFCCVEGCSA-N 2 2 347.467 1.665 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561143092 321034768 /nfs/dbraw/zinc/03/47/68/321034768.db2.gz BSLFZXYEWFBESV-IBGZPJMESA-N 2 2 343.475 1.836 20 0 EDADLP CC1(C)COC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000562738052 321074911 /nfs/dbraw/zinc/07/49/11/321074911.db2.gz KQLJEGHHDJZUJL-QGZVFWFLSA-N 2 2 347.459 1.472 20 0 EDADLP Cc1cnc([C@H](C)C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000563010793 321087775 /nfs/dbraw/zinc/08/77/75/321087775.db2.gz ADWRQTMWISTEDY-OSFYFWSMSA-N 2 2 327.494 1.615 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(CN2CCCC2=O)cc1)C1CC1 ZINC000563952506 321117273 /nfs/dbraw/zinc/11/72/73/321117273.db2.gz JQAZDNYPYIBGAT-GOSISDBHSA-N 2 2 331.460 1.354 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(CN2CCCC2=O)cc1)C1CC1 ZINC000563952506 321117274 /nfs/dbraw/zinc/11/72/74/321117274.db2.gz JQAZDNYPYIBGAT-GOSISDBHSA-N 2 2 331.460 1.354 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CC1 ZINC000564444330 321131959 /nfs/dbraw/zinc/13/19/59/321131959.db2.gz NTKIYYJCFFOLIB-ROUUACIJSA-N 2 2 347.459 1.349 20 0 EDADLP O=C(C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000564822190 321149906 /nfs/dbraw/zinc/14/99/06/321149906.db2.gz HLUHGDBQQCHIEQ-GOSISDBHSA-N 2 2 346.381 1.471 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000564911370 321156251 /nfs/dbraw/zinc/15/62/51/321156251.db2.gz WYGFBOPWOVQQOG-MRXNPFEDSA-N 2 2 340.418 1.108 20 0 EDADLP Cn1cc(-c2ccccc2C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000565474686 321187564 /nfs/dbraw/zinc/18/75/64/321187564.db2.gz NPHZADMNCYRVIQ-RBUKOAKNSA-N 2 2 326.444 1.944 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c[nH+]1 ZINC000565815844 321201902 /nfs/dbraw/zinc/20/19/02/321201902.db2.gz GUPHJUCKFOYGJF-JKSUJKDBSA-N 2 2 331.464 1.773 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c[nH+]1 ZINC000565815844 321201903 /nfs/dbraw/zinc/20/19/03/321201903.db2.gz GUPHJUCKFOYGJF-JKSUJKDBSA-N 2 2 331.464 1.773 20 0 EDADLP Cc1csc(CCCC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000566109177 321216032 /nfs/dbraw/zinc/21/60/32/321216032.db2.gz KPGPVPICEBPKKY-OWCLPIDISA-N 2 2 341.521 1.834 20 0 EDADLP Cc1csc(CCCC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000566109177 321216033 /nfs/dbraw/zinc/21/60/33/321216033.db2.gz KPGPVPICEBPKKY-OWCLPIDISA-N 2 2 341.521 1.834 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000566291171 321225875 /nfs/dbraw/zinc/22/58/75/321225875.db2.gz FKJOPCGLDXIJMV-OAHLLOKOSA-N 2 2 344.484 1.894 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000567480567 321243757 /nfs/dbraw/zinc/24/37/57/321243757.db2.gz YLOXJULXQWOLIA-GOEBONIOSA-N 2 2 338.496 1.127 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000567480567 321243759 /nfs/dbraw/zinc/24/37/59/321243759.db2.gz YLOXJULXQWOLIA-GOEBONIOSA-N 2 2 338.496 1.127 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000567691952 321253139 /nfs/dbraw/zinc/25/31/39/321253139.db2.gz JZLLVVOMICGRQC-QGZVFWFLSA-N 2 2 344.459 1.826 20 0 EDADLP C[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000567691952 321253141 /nfs/dbraw/zinc/25/31/41/321253141.db2.gz JZLLVVOMICGRQC-QGZVFWFLSA-N 2 2 344.459 1.826 20 0 EDADLP CN1C[C@H]([N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)CCC1=O ZINC000568178564 321278384 /nfs/dbraw/zinc/27/83/84/321278384.db2.gz RRIHQQHTUUBQEA-LJQANCHMSA-N 2 2 344.503 1.751 20 0 EDADLP CN1C[C@H]([N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)CCC1=O ZINC000568178564 321278385 /nfs/dbraw/zinc/27/83/85/321278385.db2.gz RRIHQQHTUUBQEA-LJQANCHMSA-N 2 2 344.503 1.751 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000568607928 321298913 /nfs/dbraw/zinc/29/89/13/321298913.db2.gz DOOQGNIOUDSKNJ-INIZCTEOSA-N 2 2 334.464 1.473 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000568607928 321298914 /nfs/dbraw/zinc/29/89/14/321298914.db2.gz DOOQGNIOUDSKNJ-INIZCTEOSA-N 2 2 334.464 1.473 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000568609702 321299198 /nfs/dbraw/zinc/29/91/98/321299198.db2.gz QUYFZGRKAROVSR-JKSUJKDBSA-N 2 2 331.464 1.739 20 0 EDADLP CC(=O)Nc1ccc(CC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000568741505 321304022 /nfs/dbraw/zinc/30/40/22/321304022.db2.gz VYKBBAXGSGMXTK-ZRGWGRIASA-N 2 2 349.475 1.247 20 0 EDADLP CC(=O)Nc1ccc(CC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000568741505 321304024 /nfs/dbraw/zinc/30/40/24/321304024.db2.gz VYKBBAXGSGMXTK-ZRGWGRIASA-N 2 2 349.475 1.247 20 0 EDADLP Cc1[nH+]c2ccccc2c(N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1C ZINC000282164606 444103022 /nfs/dbraw/zinc/10/30/22/444103022.db2.gz DHFWICCOUKKAAG-HNNXBMFYSA-N 2 2 342.443 1.474 20 0 EDADLP Cc1[nH+]c2ccccc2c(N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1C ZINC000282164606 444103024 /nfs/dbraw/zinc/10/30/24/444103024.db2.gz DHFWICCOUKKAAG-HNNXBMFYSA-N 2 2 342.443 1.474 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000570043454 321335995 /nfs/dbraw/zinc/33/59/95/321335995.db2.gz XRJRTVXFRLYAFP-RCCFBDPRSA-N 2 2 336.524 1.251 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)CN1CC[NH+]1CCOCC1 ZINC000571103088 321371519 /nfs/dbraw/zinc/37/15/19/321371519.db2.gz FQFBCUQHPQLKRX-KRWDZBQOSA-N 2 2 342.443 1.191 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCn2cnc3ccccc32)C[C@H](C)O1 ZINC000571551837 321391611 /nfs/dbraw/zinc/39/16/11/321391611.db2.gz VWMOPKNXVBSRLJ-IXDOHACOSA-N 2 2 346.475 1.486 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCn2cnc3ccccc32)C[C@H](C)O1 ZINC000571551837 321391613 /nfs/dbraw/zinc/39/16/13/321391613.db2.gz VWMOPKNXVBSRLJ-IXDOHACOSA-N 2 2 346.475 1.486 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1F ZINC000571566732 321392815 /nfs/dbraw/zinc/39/28/15/321392815.db2.gz WCBKDPXGOBVGQS-HNNXBMFYSA-N 2 2 330.407 1.963 20 0 EDADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000571893675 321406123 /nfs/dbraw/zinc/40/61/23/321406123.db2.gz WEZXTPWLOALMSU-JKSUJKDBSA-N 2 2 346.475 1.411 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+](CCCO)Cc1cccc(Cl)c1)C1CC1 ZINC000289379571 444124387 /nfs/dbraw/zinc/12/43/87/444124387.db2.gz PJKVGYOOTQIRMF-QGZVFWFLSA-N 2 2 326.868 1.980 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+](CCCO)Cc1cccc(Cl)c1)C1CC1 ZINC000289379571 444124392 /nfs/dbraw/zinc/12/43/92/444124392.db2.gz PJKVGYOOTQIRMF-QGZVFWFLSA-N 2 2 326.868 1.980 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](CCCO)Cc1cccc(Cl)c1)C1CC1 ZINC000289379571 444124395 /nfs/dbraw/zinc/12/43/95/444124395.db2.gz PJKVGYOOTQIRMF-QGZVFWFLSA-N 2 2 326.868 1.980 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](CCCO)Cc1cccc(Cl)c1)C1CC1 ZINC000289379571 444124400 /nfs/dbraw/zinc/12/44/00/444124400.db2.gz PJKVGYOOTQIRMF-QGZVFWFLSA-N 2 2 326.868 1.980 20 0 EDADLP Cc1ncccc1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000285988857 444170523 /nfs/dbraw/zinc/17/05/23/444170523.db2.gz MTEAEISAEMHVIW-UHFFFAOYSA-N 2 2 330.476 1.607 20 0 EDADLP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[C@H](C)[NH+]1CCOCC1 ZINC000574783703 321501641 /nfs/dbraw/zinc/50/16/41/321501641.db2.gz PGNNSYVSHRZROB-KGLIPLIRSA-N 2 2 348.447 1.399 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000301532490 444178489 /nfs/dbraw/zinc/17/84/89/444178489.db2.gz IBCMSPVFXPOYFT-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000301532490 444178491 /nfs/dbraw/zinc/17/84/91/444178491.db2.gz IBCMSPVFXPOYFT-MRXNPFEDSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1cccc2c(N3CC[NH+]([C@H]4CCS(=O)(=O)C4)CC3)cc[nH+]c12 ZINC000301743841 444188337 /nfs/dbraw/zinc/18/83/37/444188337.db2.gz WDEVHVXKVSUFCN-HNNXBMFYSA-N 2 2 345.468 1.852 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000576373208 321561430 /nfs/dbraw/zinc/56/14/30/321561430.db2.gz NLDUOJJIVQYUPJ-MSOLQXFVSA-N 2 2 346.475 1.420 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000296021686 444199921 /nfs/dbraw/zinc/19/99/21/444199921.db2.gz RGVRIGGTPYLTCH-FZMZJTMJSA-N 2 2 333.354 1.914 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000296021686 444199923 /nfs/dbraw/zinc/19/99/23/444199923.db2.gz RGVRIGGTPYLTCH-FZMZJTMJSA-N 2 2 333.354 1.914 20 0 EDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000304474514 444249609 /nfs/dbraw/zinc/24/96/09/444249609.db2.gz GDOYKPTXYAFLAN-WOJBJXKFSA-N 2 2 347.503 1.276 20 0 EDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000304474514 444249611 /nfs/dbraw/zinc/24/96/11/444249611.db2.gz GDOYKPTXYAFLAN-WOJBJXKFSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]([C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000576954856 321610665 /nfs/dbraw/zinc/61/06/65/321610665.db2.gz QFIYPEGUGSEHNY-JKSUJKDBSA-N 2 2 333.476 1.630 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@H](O)[C@@H]3C)CC2)c1 ZINC000296395925 444226105 /nfs/dbraw/zinc/22/61/05/444226105.db2.gz ULRQKSPBQOPEDK-HKUYNNGSSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@H](O)[C@@H]3C)CC2)c1 ZINC000296395925 444226106 /nfs/dbraw/zinc/22/61/06/444226106.db2.gz ULRQKSPBQOPEDK-HKUYNNGSSA-N 2 2 345.487 1.484 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000302840147 444226815 /nfs/dbraw/zinc/22/68/15/444226815.db2.gz LGWOWDSVIPQDKE-UHFFFAOYSA-N 2 2 349.479 1.108 20 0 EDADLP COCCN1CC[C@@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000577098329 321623028 /nfs/dbraw/zinc/62/30/28/321623028.db2.gz ZAPKAKWRDRJAPD-SJORKVTESA-N 2 2 346.475 1.324 20 0 EDADLP C[C@@H](CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)C[NH+]1CCOCC1 ZINC000302905782 444231124 /nfs/dbraw/zinc/23/11/24/444231124.db2.gz SSZKPEWOFGDOMO-JKSUJKDBSA-N 2 2 349.479 1.208 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000297700788 444320509 /nfs/dbraw/zinc/32/05/09/444320509.db2.gz AUDUITWKXHUYOH-KBPBESRZSA-N 2 2 327.388 1.016 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000297700788 444320510 /nfs/dbraw/zinc/32/05/10/444320510.db2.gz AUDUITWKXHUYOH-KBPBESRZSA-N 2 2 327.388 1.016 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)c(C)n2n1 ZINC000325810967 444369721 /nfs/dbraw/zinc/36/97/21/444369721.db2.gz KEBHZKAGUSYRAY-BPUTZDHNSA-N 2 2 329.448 1.860 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)c(C)n2n1 ZINC000325810967 444369726 /nfs/dbraw/zinc/36/97/26/444369726.db2.gz KEBHZKAGUSYRAY-BPUTZDHNSA-N 2 2 329.448 1.860 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000290819070 444326953 /nfs/dbraw/zinc/32/69/53/444326953.db2.gz FVAZEUDZOIIRGS-ZIFCJYIRSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000290819070 444326955 /nfs/dbraw/zinc/32/69/55/444326955.db2.gz FVAZEUDZOIIRGS-ZIFCJYIRSA-N 2 2 345.487 1.829 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000578537108 321792097 /nfs/dbraw/zinc/79/20/97/321792097.db2.gz VYWAUTMCGDKGCY-OLMNPRSZSA-N 2 2 346.475 1.330 20 0 EDADLP CS[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1[NH+](C)C ZINC000340591578 444452888 /nfs/dbraw/zinc/45/28/88/444452888.db2.gz DDTZIHYESBUQBZ-HOTGVXAUSA-N 2 2 330.457 1.990 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nnc4n3CCCC4)CC2)C[C@H](C)O1 ZINC000340643753 444469417 /nfs/dbraw/zinc/46/94/17/444469417.db2.gz OKDBWXGMFAOAQB-IYBDPMFKSA-N 2 2 347.507 1.936 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nnc4n3CCCC4)CC2)C[C@H](C)O1 ZINC000340643753 444469420 /nfs/dbraw/zinc/46/94/20/444469420.db2.gz OKDBWXGMFAOAQB-IYBDPMFKSA-N 2 2 347.507 1.936 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000328975927 444430906 /nfs/dbraw/zinc/43/09/06/444430906.db2.gz CVWCORRXIPZUTP-ROUUACIJSA-N 2 2 340.427 1.726 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000328975927 444430909 /nfs/dbraw/zinc/43/09/09/444430909.db2.gz CVWCORRXIPZUTP-ROUUACIJSA-N 2 2 340.427 1.726 20 0 EDADLP CC(C)[N@@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000340681028 444478975 /nfs/dbraw/zinc/47/89/75/444478975.db2.gz KZBAGCQKDULPFK-UHFFFAOYSA-N 2 2 348.491 1.340 20 0 EDADLP CC(C)[N@H+]1CCCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000340681028 444478979 /nfs/dbraw/zinc/47/89/79/444478979.db2.gz KZBAGCQKDULPFK-UHFFFAOYSA-N 2 2 348.491 1.340 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338009394 444485124 /nfs/dbraw/zinc/48/51/24/444485124.db2.gz VHDUQIBSDBUEHD-MDZRGWNJSA-N 2 2 343.471 1.739 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338009394 444485131 /nfs/dbraw/zinc/48/51/31/444485131.db2.gz VHDUQIBSDBUEHD-MDZRGWNJSA-N 2 2 343.471 1.739 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338009383 444485209 /nfs/dbraw/zinc/48/52/09/444485209.db2.gz VHDUQIBSDBUEHD-GJYPPUQNSA-N 2 2 343.471 1.739 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000338009383 444485214 /nfs/dbraw/zinc/48/52/14/444485214.db2.gz VHDUQIBSDBUEHD-GJYPPUQNSA-N 2 2 343.471 1.739 20 0 EDADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccncc1F ZINC000338016758 444487275 /nfs/dbraw/zinc/48/72/75/444487275.db2.gz VLDQFYGPINQOPP-OAHLLOKOSA-N 2 2 336.455 1.668 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccncc1F ZINC000338016758 444487276 /nfs/dbraw/zinc/48/72/76/444487276.db2.gz VLDQFYGPINQOPP-OAHLLOKOSA-N 2 2 336.455 1.668 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)n1C ZINC000580347223 322040736 /nfs/dbraw/zinc/04/07/36/322040736.db2.gz PAFOGPSZWXQDIM-GOSISDBHSA-N 2 2 342.443 1.288 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000580556471 322066866 /nfs/dbraw/zinc/06/68/66/322066866.db2.gz SBIPJEUPKFIKJC-KRWDZBQOSA-N 2 2 347.507 1.851 20 0 EDADLP CCOc1cccc(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581127491 322139174 /nfs/dbraw/zinc/13/91/74/322139174.db2.gz WECSITMNBRZDNX-JZXOWHBKSA-N 2 2 336.476 1.688 20 0 EDADLP CCOc1cccc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581127491 322139175 /nfs/dbraw/zinc/13/91/75/322139175.db2.gz WECSITMNBRZDNX-JZXOWHBKSA-N 2 2 336.476 1.688 20 0 EDADLP CCOc1cccc(CC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581127493 322139437 /nfs/dbraw/zinc/13/94/37/322139437.db2.gz WECSITMNBRZDNX-SOLBZPMBSA-N 2 2 336.476 1.688 20 0 EDADLP CCOc1cccc(CC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581127493 322139438 /nfs/dbraw/zinc/13/94/38/322139438.db2.gz WECSITMNBRZDNX-SOLBZPMBSA-N 2 2 336.476 1.688 20 0 EDADLP C[C@H]1OCC[C@]1(C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581377323 322170655 /nfs/dbraw/zinc/17/06/55/322170655.db2.gz KKLJCHYOYMXNPU-QAPCUYQASA-N 2 2 332.448 1.277 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000581424803 322175929 /nfs/dbraw/zinc/17/59/29/322175929.db2.gz IZZYAJQEPXJOSU-OTWHNJEPSA-N 3 2 341.540 1.702 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000581424803 322175931 /nfs/dbraw/zinc/17/59/31/322175931.db2.gz IZZYAJQEPXJOSU-OTWHNJEPSA-N 3 2 341.540 1.702 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000581489106 322183971 /nfs/dbraw/zinc/18/39/71/322183971.db2.gz MHACJSHKJXNHBX-HZPDHXFCSA-N 2 2 347.459 1.344 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000581489106 322183973 /nfs/dbraw/zinc/18/39/73/322183973.db2.gz MHACJSHKJXNHBX-HZPDHXFCSA-N 2 2 347.459 1.344 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000581543570 322189695 /nfs/dbraw/zinc/18/96/95/322189695.db2.gz MLCNYPAVHLGQPI-NZSAHSFTSA-N 2 2 332.444 1.845 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000581543570 322189696 /nfs/dbraw/zinc/18/96/96/322189696.db2.gz MLCNYPAVHLGQPI-NZSAHSFTSA-N 2 2 332.444 1.845 20 0 EDADLP C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000581982296 322240366 /nfs/dbraw/zinc/24/03/66/322240366.db2.gz LOYLLJSXWNNGCL-OAHLLOKOSA-N 2 2 348.472 1.552 20 0 EDADLP C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000581982296 322240369 /nfs/dbraw/zinc/24/03/69/322240369.db2.gz LOYLLJSXWNNGCL-OAHLLOKOSA-N 2 2 348.472 1.552 20 0 EDADLP C[C@H](CN1CCOCC1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000338105631 444517892 /nfs/dbraw/zinc/51/78/92/444517892.db2.gz LNSSLTHJKALPDD-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000338105631 444517896 /nfs/dbraw/zinc/51/78/96/444517896.db2.gz LNSSLTHJKALPDD-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000338105631 444517897 /nfs/dbraw/zinc/51/78/97/444517897.db2.gz LNSSLTHJKALPDD-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000338105631 444517900 /nfs/dbraw/zinc/51/79/00/444517900.db2.gz LNSSLTHJKALPDD-NZSAHSFTSA-N 2 2 332.492 1.727 20 0 EDADLP CCc1nc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)cc(C)[nH+]1 ZINC000329386695 444559196 /nfs/dbraw/zinc/55/91/96/444559196.db2.gz PTZSUHBDWWHEMT-UHFFFAOYSA-N 2 2 331.464 1.704 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000343752599 444565800 /nfs/dbraw/zinc/56/58/00/444565800.db2.gz IIMVYDAPDXBFFJ-JKHFOPOESA-N 2 2 349.519 1.961 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000343752599 444565804 /nfs/dbraw/zinc/56/58/04/444565804.db2.gz IIMVYDAPDXBFFJ-JKHFOPOESA-N 2 2 349.519 1.961 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000340920047 444576777 /nfs/dbraw/zinc/57/67/77/444576777.db2.gz VERSSYUFRKKIDR-NJAFHUGGSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000340920047 444576780 /nfs/dbraw/zinc/57/67/80/444576780.db2.gz VERSSYUFRKKIDR-NJAFHUGGSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000340920047 444576784 /nfs/dbraw/zinc/57/67/84/444576784.db2.gz VERSSYUFRKKIDR-NJAFHUGGSA-N 2 2 331.460 1.201 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000340920047 444576789 /nfs/dbraw/zinc/57/67/89/444576789.db2.gz VERSSYUFRKKIDR-NJAFHUGGSA-N 2 2 331.460 1.201 20 0 EDADLP CN(C(=O)c1ncn(C)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000329564307 444630170 /nfs/dbraw/zinc/63/01/70/444630170.db2.gz KAIUIKKJNMOCEZ-HOTGVXAUSA-N 2 2 348.495 1.224 20 0 EDADLP CN(C(=O)c1ncn(C)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000329564307 444630174 /nfs/dbraw/zinc/63/01/74/444630174.db2.gz KAIUIKKJNMOCEZ-HOTGVXAUSA-N 2 2 348.495 1.224 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC000338252138 444589843 /nfs/dbraw/zinc/58/98/43/444589843.db2.gz GKURDKLFZASGNO-ROUUACIJSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@@H](C)C2)CC1 ZINC000338252138 444589846 /nfs/dbraw/zinc/58/98/46/444589846.db2.gz GKURDKLFZASGNO-ROUUACIJSA-N 2 2 345.487 1.860 20 0 EDADLP C[N@H+](CCCO)C1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000343808509 444604439 /nfs/dbraw/zinc/60/44/39/444604439.db2.gz MSXPBRVBTSUJNU-UHFFFAOYSA-N 2 2 347.450 1.269 20 0 EDADLP C[N@@H+](CCCO)C1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000343808509 444604443 /nfs/dbraw/zinc/60/44/43/444604443.db2.gz MSXPBRVBTSUJNU-UHFFFAOYSA-N 2 2 347.450 1.269 20 0 EDADLP CC(C)C[C@H](CNc1ncnc2c1C[N@H+](C)CC2)[NH+]1CCOCC1 ZINC000329502093 444606107 /nfs/dbraw/zinc/60/61/07/444606107.db2.gz KQOGRIJDXFZEQY-OAHLLOKOSA-N 2 2 333.480 1.623 20 0 EDADLP CC(C)C[C@H](CNc1ncnc2c1C[N@@H+](C)CC2)[NH+]1CCOCC1 ZINC000329502093 444606110 /nfs/dbraw/zinc/60/61/10/444606110.db2.gz KQOGRIJDXFZEQY-OAHLLOKOSA-N 2 2 333.480 1.623 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCCC[C@@H]1C ZINC000338281558 444609517 /nfs/dbraw/zinc/60/95/17/444609517.db2.gz NWHOKQQTQTYPFG-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CCCC[C@@H]1C ZINC000338281558 444609522 /nfs/dbraw/zinc/60/95/22/444609522.db2.gz NWHOKQQTQTYPFG-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000338281558 444609526 /nfs/dbraw/zinc/60/95/26/444609526.db2.gz NWHOKQQTQTYPFG-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOC(C)(C)C1)[N@H+]1CCCC[C@@H]1C ZINC000338281558 444609532 /nfs/dbraw/zinc/60/95/32/444609532.db2.gz NWHOKQQTQTYPFG-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000342280629 444610978 /nfs/dbraw/zinc/61/09/78/444610978.db2.gz NTLCZHQGBQOACF-HNNXBMFYSA-N 2 2 349.479 1.032 20 0 EDADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000342280629 444610982 /nfs/dbraw/zinc/61/09/82/444610982.db2.gz NTLCZHQGBQOACF-HNNXBMFYSA-N 2 2 349.479 1.032 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000332961556 444611978 /nfs/dbraw/zinc/61/19/78/444611978.db2.gz SKJFYVQRUUABRQ-JKSUJKDBSA-N 2 2 348.495 1.150 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000332961556 444611983 /nfs/dbraw/zinc/61/19/83/444611983.db2.gz SKJFYVQRUUABRQ-JKSUJKDBSA-N 2 2 348.495 1.150 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000333389599 444663554 /nfs/dbraw/zinc/66/35/54/444663554.db2.gz YXGQZYPZNPJUOO-SFHVURJKSA-N 2 2 344.459 1.383 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000333389599 444663559 /nfs/dbraw/zinc/66/35/59/444663559.db2.gz YXGQZYPZNPJUOO-SFHVURJKSA-N 2 2 344.459 1.383 20 0 EDADLP C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343929044 444676230 /nfs/dbraw/zinc/67/62/30/444676230.db2.gz VTPPVUQKEWKOMC-OWCLPIDISA-N 2 2 325.497 1.674 20 0 EDADLP C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343929044 444676233 /nfs/dbraw/zinc/67/62/33/444676233.db2.gz VTPPVUQKEWKOMC-OWCLPIDISA-N 2 2 325.497 1.674 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000343987136 444711153 /nfs/dbraw/zinc/71/11/53/444711153.db2.gz SCDAJEIEJYHVOP-BEFAXECRSA-N 2 2 332.492 1.856 20 0 EDADLP COc1cc(C)nc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000343987136 444711158 /nfs/dbraw/zinc/71/11/58/444711158.db2.gz SCDAJEIEJYHVOP-BEFAXECRSA-N 2 2 332.492 1.856 20 0 EDADLP COc1cc(C)nc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000343987136 444711162 /nfs/dbraw/zinc/71/11/62/444711162.db2.gz SCDAJEIEJYHVOP-BEFAXECRSA-N 2 2 332.492 1.856 20 0 EDADLP Cc1cc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc(C)[nH+]1 ZINC000333898521 444711949 /nfs/dbraw/zinc/71/19/49/444711949.db2.gz YSIZTCFFVQYZLF-RDJZCZTQSA-N 2 2 332.448 1.703 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000342511287 444724301 /nfs/dbraw/zinc/72/43/01/444724301.db2.gz VZWBHFLEBVFUPS-HNNXBMFYSA-N 2 2 339.480 1.395 20 0 EDADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000341231717 444741028 /nfs/dbraw/zinc/74/10/28/444741028.db2.gz WOOSCSJOPPFRGJ-CQSZACIVSA-N 2 2 331.420 1.408 20 0 EDADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000341231717 444741030 /nfs/dbraw/zinc/74/10/30/444741030.db2.gz WOOSCSJOPPFRGJ-CQSZACIVSA-N 2 2 331.420 1.408 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CC1 ZINC000341262043 444753451 /nfs/dbraw/zinc/75/34/51/444753451.db2.gz IYTJPVMPOCCYIT-UHFFFAOYSA-N 2 2 333.358 1.729 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CC1 ZINC000341262043 444753456 /nfs/dbraw/zinc/75/34/56/444753456.db2.gz IYTJPVMPOCCYIT-UHFFFAOYSA-N 2 2 333.358 1.729 20 0 EDADLP CN(C)c1nccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000341303046 444769418 /nfs/dbraw/zinc/76/94/18/444769418.db2.gz GVUQNKSDUVSGGA-KRWDZBQOSA-N 2 2 332.496 1.145 20 0 EDADLP CN(C)c1nccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000341303046 444769421 /nfs/dbraw/zinc/76/94/21/444769421.db2.gz GVUQNKSDUVSGGA-KRWDZBQOSA-N 2 2 332.496 1.145 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](CO)OC(C)(C)C3)c2cc1C ZINC000336895786 444839818 /nfs/dbraw/zinc/83/98/18/444839818.db2.gz ZNXYFOWKEPUPFT-CVEARBPZSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](CO)OC(C)(C)C3)c2cc1C ZINC000336895786 444839822 /nfs/dbraw/zinc/83/98/22/444839822.db2.gz ZNXYFOWKEPUPFT-CVEARBPZSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000330093716 444841452 /nfs/dbraw/zinc/84/14/52/444841452.db2.gz RWICEKXHIVZMFD-CHWSQXEVSA-N 2 2 330.436 1.387 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000330093716 444841455 /nfs/dbraw/zinc/84/14/55/444841455.db2.gz RWICEKXHIVZMFD-CHWSQXEVSA-N 2 2 330.436 1.387 20 0 EDADLP CC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)OC ZINC000338799683 444856667 /nfs/dbraw/zinc/85/66/67/444856667.db2.gz IUSRNYHCPUTDLZ-HNNXBMFYSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000342783658 444865818 /nfs/dbraw/zinc/86/58/18/444865818.db2.gz OZUCVBVXNBPNHY-UHFFFAOYSA-N 3 2 325.497 1.866 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337068984 444927824 /nfs/dbraw/zinc/92/78/24/444927824.db2.gz LWMPQDNOSXNDQD-JKSUJKDBSA-N 2 2 332.448 1.287 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337068984 444927827 /nfs/dbraw/zinc/92/78/27/444927827.db2.gz LWMPQDNOSXNDQD-JKSUJKDBSA-N 2 2 332.448 1.287 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(CC[N@@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000337191048 444979638 /nfs/dbraw/zinc/97/96/38/444979638.db2.gz SZGBATGWUWLJGG-GOSISDBHSA-N 2 2 338.540 1.198 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(CC[N@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000337191048 444979640 /nfs/dbraw/zinc/97/96/40/444979640.db2.gz SZGBATGWUWLJGG-GOSISDBHSA-N 2 2 338.540 1.198 20 0 EDADLP CCCOc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000341660646 444937753 /nfs/dbraw/zinc/93/77/53/444937753.db2.gz QSDZJCSSFHREQY-HNNXBMFYSA-N 2 2 349.475 1.909 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000339131663 445047917 /nfs/dbraw/zinc/04/79/17/445047917.db2.gz FDTXFXSDTDKPNY-BRWVUGGUSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000339131663 445047924 /nfs/dbraw/zinc/04/79/24/445047924.db2.gz FDTXFXSDTDKPNY-BRWVUGGUSA-N 2 2 346.475 1.212 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337380503 445056194 /nfs/dbraw/zinc/05/61/94/445056194.db2.gz IUCFKDIGOXKUIC-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337380503 445056195 /nfs/dbraw/zinc/05/61/95/445056195.db2.gz IUCFKDIGOXKUIC-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H](C)C1 ZINC000337355144 445045744 /nfs/dbraw/zinc/04/57/44/445045744.db2.gz BYJNJKQAAMBWSO-IRXDYDNUSA-N 2 2 328.460 1.818 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)[C@@H](C)C1 ZINC000337355144 445045748 /nfs/dbraw/zinc/04/57/48/445045748.db2.gz BYJNJKQAAMBWSO-IRXDYDNUSA-N 2 2 328.460 1.818 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435153 445140305 /nfs/dbraw/zinc/14/03/05/445140305.db2.gz XMRUKMGEDDIZAR-LJQANCHMSA-N 3 2 334.508 1.147 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435153 445140306 /nfs/dbraw/zinc/14/03/06/445140306.db2.gz XMRUKMGEDDIZAR-LJQANCHMSA-N 3 2 334.508 1.147 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435153 445140307 /nfs/dbraw/zinc/14/03/07/445140307.db2.gz XMRUKMGEDDIZAR-LJQANCHMSA-N 3 2 334.508 1.147 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435153 445140308 /nfs/dbraw/zinc/14/03/08/445140308.db2.gz XMRUKMGEDDIZAR-LJQANCHMSA-N 3 2 334.508 1.147 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000330860347 445170317 /nfs/dbraw/zinc/17/03/17/445170317.db2.gz RSKIHTRUHYUTDN-GJZGRUSLSA-N 2 2 328.482 1.438 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000345271065 445176857 /nfs/dbraw/zinc/17/68/57/445176857.db2.gz KDUXXMXMTUVEHW-LZLYRXPVSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000345271065 445176860 /nfs/dbraw/zinc/17/68/60/445176860.db2.gz KDUXXMXMTUVEHW-LZLYRXPVSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000345302045 445179611 /nfs/dbraw/zinc/17/96/11/445179611.db2.gz NWXGAGOGSBAYBE-NJOALTMESA-N 2 2 340.471 1.958 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000345302045 445179616 /nfs/dbraw/zinc/17/96/16/445179616.db2.gz NWXGAGOGSBAYBE-NJOALTMESA-N 2 2 340.471 1.958 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(C(F)F)CC3)CC2)CC1 ZINC000337641521 445183373 /nfs/dbraw/zinc/18/33/73/445183373.db2.gz GBWVJPXPPIIMMS-UHFFFAOYSA-N 2 2 330.423 1.642 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2nc(N3CC[C@H]([NH+](C)C)C3)cc(C3CC3)[nH+]2)C1 ZINC000342066240 445153666 /nfs/dbraw/zinc/15/36/66/445153666.db2.gz STNYNIZZULKTOW-JKSUJKDBSA-N 3 2 344.507 1.635 20 0 EDADLP COc1cc(C)nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c1 ZINC000343384408 445213568 /nfs/dbraw/zinc/21/35/68/445213568.db2.gz BMRAICXFNXTWIW-RHSMWYFYSA-N 2 2 329.404 1.242 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000343598864 445257599 /nfs/dbraw/zinc/25/75/99/445257599.db2.gz FRBSCHFJSVFKLQ-RTBURBONSA-N 2 2 345.487 1.513 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000343598864 445257602 /nfs/dbraw/zinc/25/76/02/445257602.db2.gz FRBSCHFJSVFKLQ-RTBURBONSA-N 2 2 345.487 1.513 20 0 EDADLP CNC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348343194 445262338 /nfs/dbraw/zinc/26/23/38/445262338.db2.gz IJTIZHTZZZUVOM-STQMWFEESA-N 2 2 343.431 1.718 20 0 EDADLP CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348343194 445262340 /nfs/dbraw/zinc/26/23/40/445262340.db2.gz IJTIZHTZZZUVOM-STQMWFEESA-N 2 2 343.431 1.718 20 0 EDADLP CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348343192 445262429 /nfs/dbraw/zinc/26/24/29/445262429.db2.gz IJTIZHTZZZUVOM-OLZOCXBDSA-N 2 2 343.431 1.718 20 0 EDADLP CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348343192 445262431 /nfs/dbraw/zinc/26/24/31/445262431.db2.gz IJTIZHTZZZUVOM-OLZOCXBDSA-N 2 2 343.431 1.718 20 0 EDADLP Cc1cnn(C)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000348501339 445308528 /nfs/dbraw/zinc/30/85/28/445308528.db2.gz YNWOWRHVRNUHND-YJBOKZPZSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000348501339 445308529 /nfs/dbraw/zinc/30/85/29/445308529.db2.gz YNWOWRHVRNUHND-YJBOKZPZSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000348501339 445308531 /nfs/dbraw/zinc/30/85/31/445308531.db2.gz YNWOWRHVRNUHND-YJBOKZPZSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000348501339 445308532 /nfs/dbraw/zinc/30/85/32/445308532.db2.gz YNWOWRHVRNUHND-YJBOKZPZSA-N 2 2 330.480 1.977 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@H]2CC(F)F)CC1 ZINC000354632680 445321758 /nfs/dbraw/zinc/32/17/58/445321758.db2.gz OBOJPWUUVIVJNR-CQSZACIVSA-N 2 2 348.438 1.078 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC000351702381 445279981 /nfs/dbraw/zinc/27/99/81/445279981.db2.gz IHDSAOZTCIDUMP-IPMKNSEASA-N 2 2 343.471 1.440 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC000351702381 445279984 /nfs/dbraw/zinc/27/99/84/445279984.db2.gz IHDSAOZTCIDUMP-IPMKNSEASA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000351702381 445279989 /nfs/dbraw/zinc/27/99/89/445279989.db2.gz IHDSAOZTCIDUMP-IPMKNSEASA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1CCO[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000351702381 445279992 /nfs/dbraw/zinc/27/99/92/445279992.db2.gz IHDSAOZTCIDUMP-IPMKNSEASA-N 2 2 343.471 1.440 20 0 EDADLP Cc1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nn1C ZINC000348127693 445283773 /nfs/dbraw/zinc/28/37/73/445283773.db2.gz YCUUULSCACZELV-HOCLYGCPSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nn1C ZINC000348127693 445283776 /nfs/dbraw/zinc/28/37/76/445283776.db2.gz YCUUULSCACZELV-HOCLYGCPSA-N 2 2 334.443 1.506 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)[C@@H](C)C1 ZINC000343660804 445288926 /nfs/dbraw/zinc/28/89/26/445288926.db2.gz CXOARNUYFMVRRL-YEWWUXTCSA-N 2 2 347.459 1.241 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)[C@@H](C)C1 ZINC000343660804 445288929 /nfs/dbraw/zinc/28/89/29/445288929.db2.gz CXOARNUYFMVRRL-YEWWUXTCSA-N 2 2 347.459 1.241 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000348448753 445294520 /nfs/dbraw/zinc/29/45/20/445294520.db2.gz XCUHAHVOWSRPIF-HZPDHXFCSA-N 2 2 332.448 1.673 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)C1 ZINC000348448753 445294524 /nfs/dbraw/zinc/29/45/24/445294524.db2.gz XCUHAHVOWSRPIF-HZPDHXFCSA-N 2 2 332.448 1.673 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000343676499 445297061 /nfs/dbraw/zinc/29/70/61/445297061.db2.gz RDASEQZWMWZJDD-BVBHFADKSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000343676499 445297065 /nfs/dbraw/zinc/29/70/65/445297065.db2.gz RDASEQZWMWZJDD-BVBHFADKSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000343676499 445297066 /nfs/dbraw/zinc/29/70/66/445297066.db2.gz RDASEQZWMWZJDD-BVBHFADKSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000343676499 445297068 /nfs/dbraw/zinc/29/70/68/445297068.db2.gz RDASEQZWMWZJDD-BVBHFADKSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2nc(C3CC3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000348255211 445329792 /nfs/dbraw/zinc/32/97/92/445329792.db2.gz HZUZYVXMZZIDBR-YPMHNXCESA-N 2 2 330.392 1.087 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2nc(C3CC3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000348255211 445329795 /nfs/dbraw/zinc/32/97/95/445329795.db2.gz HZUZYVXMZZIDBR-YPMHNXCESA-N 2 2 330.392 1.087 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n(-c2ccccc2F)n1 ZINC000351854301 445343869 /nfs/dbraw/zinc/34/38/69/445343869.db2.gz QFHRNYPITVJNLJ-KGLIPLIRSA-N 2 2 345.422 1.927 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n(-c2ccccc2F)n1 ZINC000351854301 445343870 /nfs/dbraw/zinc/34/38/70/445343870.db2.gz QFHRNYPITVJNLJ-KGLIPLIRSA-N 2 2 345.422 1.927 20 0 EDADLP C[NH+](C)CC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000362412752 445369964 /nfs/dbraw/zinc/36/99/64/445369964.db2.gz IBHKCLTVHLNTEO-UHFFFAOYSA-N 2 2 342.443 1.984 20 0 EDADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000348822322 445402137 /nfs/dbraw/zinc/40/21/37/445402137.db2.gz ZGWSZFWBJJRMPK-IAGOWNOFSA-N 2 2 339.528 1.042 20 0 EDADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000348822322 445402140 /nfs/dbraw/zinc/40/21/40/445402140.db2.gz ZGWSZFWBJJRMPK-IAGOWNOFSA-N 2 2 339.528 1.042 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357066708 445404582 /nfs/dbraw/zinc/40/45/82/445404582.db2.gz CCENIBWNCBLTEJ-GVDBMIGSSA-N 2 2 331.460 1.420 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357066708 445404589 /nfs/dbraw/zinc/40/45/89/445404589.db2.gz CCENIBWNCBLTEJ-GVDBMIGSSA-N 2 2 331.460 1.420 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000357076233 445410292 /nfs/dbraw/zinc/41/02/92/445410292.db2.gz IHOZNABRWPKKJV-UHFFFAOYSA-N 2 2 329.803 1.212 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000357081670 445414950 /nfs/dbraw/zinc/41/49/50/445414950.db2.gz NTUPQHXHUVZOPZ-HZPDHXFCSA-N 2 2 346.450 1.016 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000357081670 445414956 /nfs/dbraw/zinc/41/49/56/445414956.db2.gz NTUPQHXHUVZOPZ-HZPDHXFCSA-N 2 2 346.450 1.016 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357082318 445415332 /nfs/dbraw/zinc/41/53/32/445415332.db2.gz HQICGDLQKIKLAV-JYJNAYRXSA-N 2 2 331.460 1.756 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357082318 445415334 /nfs/dbraw/zinc/41/53/34/445415334.db2.gz HQICGDLQKIKLAV-JYJNAYRXSA-N 2 2 331.460 1.756 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357088594 445419599 /nfs/dbraw/zinc/41/95/99/445419599.db2.gz XYRXFOUGPWDCPU-HZPDHXFCSA-N 2 2 349.450 1.594 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357088594 445419606 /nfs/dbraw/zinc/41/96/06/445419606.db2.gz XYRXFOUGPWDCPU-HZPDHXFCSA-N 2 2 349.450 1.594 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000362444661 445385956 /nfs/dbraw/zinc/38/59/56/445385956.db2.gz HTDUDTAVUYJMNX-RDJZCZTQSA-N 2 2 341.459 1.176 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000362444661 445385959 /nfs/dbraw/zinc/38/59/59/445385959.db2.gz HTDUDTAVUYJMNX-RDJZCZTQSA-N 2 2 341.459 1.176 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000362649480 445479313 /nfs/dbraw/zinc/47/93/13/445479313.db2.gz PUWOHUUIWBNLKM-UHOSZYNNSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000362649480 445479317 /nfs/dbraw/zinc/47/93/17/445479317.db2.gz PUWOHUUIWBNLKM-UHOSZYNNSA-N 2 2 345.487 1.682 20 0 EDADLP O[C@H](COCc1cccs1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625553212 450424339 /nfs/dbraw/zinc/42/43/39/450424339.db2.gz SQXAAORZJGSHSL-INIZCTEOSA-N 2 2 340.489 1.422 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NCC[NH+]2CCOCC2)cc[nH+]1 ZINC000362566660 445443635 /nfs/dbraw/zinc/44/36/35/445443635.db2.gz YTJDXOINTBRMNM-RDJZCZTQSA-N 2 2 349.479 1.836 20 0 EDADLP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH+](CCO)CC1 ZINC000352030370 445450367 /nfs/dbraw/zinc/45/03/67/445450367.db2.gz VMZSXFALJALNFR-UHFFFAOYSA-N 2 2 328.359 1.897 20 0 EDADLP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1CC[NH+](CCO)CC1 ZINC000352030370 445450370 /nfs/dbraw/zinc/45/03/70/445450370.db2.gz VMZSXFALJALNFR-UHFFFAOYSA-N 2 2 328.359 1.897 20 0 EDADLP COc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1OC ZINC000362662039 445484481 /nfs/dbraw/zinc/48/44/81/445484481.db2.gz GWMLZPXECLLYKM-OAHLLOKOSA-N 2 2 333.432 1.100 20 0 EDADLP COc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1OC ZINC000362662039 445484483 /nfs/dbraw/zinc/48/44/83/445484483.db2.gz GWMLZPXECLLYKM-OAHLLOKOSA-N 2 2 333.432 1.100 20 0 EDADLP CN(C(=O)c1cncn1C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000349109485 445509866 /nfs/dbraw/zinc/50/98/66/445509866.db2.gz NMBGGHGOHRSFLH-IRXDYDNUSA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1cncn1C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000349109485 445509868 /nfs/dbraw/zinc/50/98/68/445509868.db2.gz NMBGGHGOHRSFLH-IRXDYDNUSA-N 2 2 347.507 1.829 20 0 EDADLP C[C@@H](Oc1cccc(F)c1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362706623 445510858 /nfs/dbraw/zinc/51/08/58/445510858.db2.gz QUSYQXYTVAYAFW-ZBFHGGJFSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@@H](Oc1cccc(F)c1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362706623 445510861 /nfs/dbraw/zinc/51/08/61/445510861.db2.gz QUSYQXYTVAYAFW-ZBFHGGJFSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360031251 445536756 /nfs/dbraw/zinc/53/67/56/445536756.db2.gz ZYZLAMRCCCVKIB-ZBFHGGJFSA-N 2 2 348.491 1.704 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360031251 445536761 /nfs/dbraw/zinc/53/67/61/445536761.db2.gz ZYZLAMRCCCVKIB-ZBFHGGJFSA-N 2 2 348.491 1.704 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000360019617 445531126 /nfs/dbraw/zinc/53/11/26/445531126.db2.gz ZSJRBGXGUZLGMN-HNNXBMFYSA-N 2 2 349.479 1.642 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)CCOC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000349064212 445493235 /nfs/dbraw/zinc/49/32/35/445493235.db2.gz ZUSIXHSJYLFLJW-INIZCTEOSA-N 2 2 348.834 1.658 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000362682902 445497740 /nfs/dbraw/zinc/49/77/40/445497740.db2.gz HZYQDTCBDBWFAU-QGZVFWFLSA-N 2 2 340.427 1.738 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000362682902 445497747 /nfs/dbraw/zinc/49/77/47/445497747.db2.gz HZYQDTCBDBWFAU-QGZVFWFLSA-N 2 2 340.427 1.738 20 0 EDADLP COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352108772 445498351 /nfs/dbraw/zinc/49/83/51/445498351.db2.gz ZLLOIQLRKKAJKL-CRAIPNDOSA-N 2 2 333.432 1.043 20 0 EDADLP COC(=O)CN(C)C(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352108772 445498353 /nfs/dbraw/zinc/49/83/53/445498353.db2.gz ZLLOIQLRKKAJKL-CRAIPNDOSA-N 2 2 333.432 1.043 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000357247011 445506125 /nfs/dbraw/zinc/50/61/25/445506125.db2.gz ATBYCAYWSHEBEM-OAHLLOKOSA-N 2 2 349.479 1.003 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000357247011 445506129 /nfs/dbraw/zinc/50/61/29/445506129.db2.gz ATBYCAYWSHEBEM-OAHLLOKOSA-N 2 2 349.479 1.003 20 0 EDADLP C[C@H]1[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1(C)C ZINC000357317091 445545471 /nfs/dbraw/zinc/54/54/71/445545471.db2.gz PDOXEMALYKQWII-MRXNPFEDSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@H]1[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOC1(C)C ZINC000357317091 445545475 /nfs/dbraw/zinc/54/54/75/445545475.db2.gz PDOXEMALYKQWII-MRXNPFEDSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[C@@H](c1ccccc1)[NH+](C)C ZINC000357318886 445546721 /nfs/dbraw/zinc/54/67/21/445546721.db2.gz WWZWBURNFNQRCW-RANZSIQMSA-N 2 2 346.475 1.402 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[C@@H](c1ccccc1)[NH+](C)C ZINC000357318886 445546727 /nfs/dbraw/zinc/54/67/27/445546727.db2.gz WWZWBURNFNQRCW-RANZSIQMSA-N 2 2 346.475 1.402 20 0 EDADLP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccn(C)n1 ZINC000349503330 445600442 /nfs/dbraw/zinc/60/04/42/445600442.db2.gz AQJZKZIQOXVCOM-ZIAGYGMSSA-N 2 2 329.452 1.962 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353524269 445642091 /nfs/dbraw/zinc/64/20/91/445642091.db2.gz CZGXPZULTDGFOF-HOTGVXAUSA-N 2 2 333.480 1.961 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353524269 445642094 /nfs/dbraw/zinc/64/20/94/445642094.db2.gz CZGXPZULTDGFOF-HOTGVXAUSA-N 2 2 333.480 1.961 20 0 EDADLP C[C@H](CNC(=O)[C@@]1([NH+](C)C)CCc2ccccc21)[NH+]1CCOCC1 ZINC000362956979 445626489 /nfs/dbraw/zinc/62/64/89/445626489.db2.gz AJKALCGNAMLKPD-DNVCBOLYSA-N 2 2 331.460 1.227 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnn(CC(F)F)c2)CCN1C1CC[NH+](C)CC1 ZINC000353519506 445638756 /nfs/dbraw/zinc/63/87/56/445638756.db2.gz MPNZRRUSFDIYIY-AWEZNQCLSA-N 2 2 341.450 1.749 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)CCN1C1CC[NH+](C)CC1 ZINC000353519506 445638759 /nfs/dbraw/zinc/63/87/59/445638759.db2.gz MPNZRRUSFDIYIY-AWEZNQCLSA-N 2 2 341.450 1.749 20 0 EDADLP C[C@H]1CN(Cc2cnn(CC(F)F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000353519506 445638763 /nfs/dbraw/zinc/63/87/63/445638763.db2.gz MPNZRRUSFDIYIY-AWEZNQCLSA-N 2 2 341.450 1.749 20 0 EDADLP C[C@H]1CN(Cc2cnn(CC(F)F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000353519506 445638766 /nfs/dbraw/zinc/63/87/66/445638766.db2.gz MPNZRRUSFDIYIY-AWEZNQCLSA-N 2 2 341.450 1.749 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3C[C@@H](F)C[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000362876551 445592490 /nfs/dbraw/zinc/59/24/90/445592490.db2.gz PLOZBMHOTDLNSG-ZIAGYGMSSA-N 2 2 335.427 1.257 20 0 EDADLP CCC[N@@H+](C)CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000358588193 445662851 /nfs/dbraw/zinc/66/28/51/445662851.db2.gz JWAYZZPYYGXVPO-UHFFFAOYSA-N 2 2 346.475 1.032 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000360262752 445663941 /nfs/dbraw/zinc/66/39/41/445663941.db2.gz UREBUZRYYKRUIN-INIZCTEOSA-N 2 2 328.501 1.471 20 0 EDADLP Cc1cccc(NC2CC[NH+](CC(=O)NCC(F)(F)F)CC2)[nH+]1 ZINC000363061974 445664591 /nfs/dbraw/zinc/66/45/91/445664591.db2.gz CMEANVVKBJGLTH-UHFFFAOYSA-N 2 2 330.354 1.945 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000358620629 445680384 /nfs/dbraw/zinc/68/03/84/445680384.db2.gz OLLXUACHMGQKBG-GOSISDBHSA-N 2 2 335.492 1.180 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000358620629 445680386 /nfs/dbraw/zinc/68/03/86/445680386.db2.gz OLLXUACHMGQKBG-GOSISDBHSA-N 2 2 335.492 1.180 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000356233695 445690355 /nfs/dbraw/zinc/69/03/55/445690355.db2.gz HZAUZFXMXWBJBE-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000356233695 445690360 /nfs/dbraw/zinc/69/03/60/445690360.db2.gz HZAUZFXMXWBJBE-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356233695 445690366 /nfs/dbraw/zinc/69/03/66/445690366.db2.gz HZAUZFXMXWBJBE-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356233695 445690368 /nfs/dbraw/zinc/69/03/68/445690368.db2.gz HZAUZFXMXWBJBE-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000363140194 445693701 /nfs/dbraw/zinc/69/37/01/445693701.db2.gz DEPDKEMFCHVELN-WMZOPIPTSA-N 2 2 331.460 1.692 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000363140194 445693704 /nfs/dbraw/zinc/69/37/04/445693704.db2.gz DEPDKEMFCHVELN-WMZOPIPTSA-N 2 2 331.460 1.692 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1 ZINC000358663406 445701089 /nfs/dbraw/zinc/70/10/89/445701089.db2.gz KIASPJKNRSSVKN-IRXDYDNUSA-N 2 2 336.480 1.001 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1 ZINC000358663406 445701092 /nfs/dbraw/zinc/70/10/92/445701092.db2.gz KIASPJKNRSSVKN-IRXDYDNUSA-N 2 2 336.480 1.001 20 0 EDADLP O=C(C[NH2+]Cc1c(F)ccc(O)c1F)NCC[NH+]1CCCCCC1 ZINC000353675603 445702907 /nfs/dbraw/zinc/70/29/07/445702907.db2.gz UVUZZNDPQUNUSI-UHFFFAOYSA-N 2 2 341.402 1.752 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC[N@@H+]1C ZINC000353688941 445707863 /nfs/dbraw/zinc/70/78/63/445707863.db2.gz BGDKBQBGVHYIHN-WBVHZDCISA-N 2 2 331.460 1.767 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC[N@H+]1C ZINC000353688941 445707867 /nfs/dbraw/zinc/70/78/67/445707867.db2.gz BGDKBQBGVHYIHN-WBVHZDCISA-N 2 2 331.460 1.767 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000353593792 445670859 /nfs/dbraw/zinc/67/08/59/445670859.db2.gz VXTKYXFUKABQGA-CQSZACIVSA-N 2 2 335.423 1.539 20 0 EDADLP CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000363339173 445771333 /nfs/dbraw/zinc/77/13/33/445771333.db2.gz RUYZVJUPJSNXQO-OAHLLOKOSA-N 2 2 346.475 1.732 20 0 EDADLP CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000363339173 445771339 /nfs/dbraw/zinc/77/13/39/445771339.db2.gz RUYZVJUPJSNXQO-OAHLLOKOSA-N 2 2 346.475 1.732 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743310 445735693 /nfs/dbraw/zinc/73/56/93/445735693.db2.gz CJRPGYNNRWBCMQ-WMZOPIPTSA-N 3 2 346.523 1.533 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743310 445735698 /nfs/dbraw/zinc/73/56/98/445735698.db2.gz CJRPGYNNRWBCMQ-WMZOPIPTSA-N 3 2 346.523 1.533 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743310 445735701 /nfs/dbraw/zinc/73/57/01/445735701.db2.gz CJRPGYNNRWBCMQ-WMZOPIPTSA-N 3 2 346.523 1.533 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000353743310 445735703 /nfs/dbraw/zinc/73/57/03/445735703.db2.gz CJRPGYNNRWBCMQ-WMZOPIPTSA-N 3 2 346.523 1.533 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000363239869 445736170 /nfs/dbraw/zinc/73/61/70/445736170.db2.gz DDCDSNKXRGKDKU-INIZCTEOSA-N 2 2 349.479 1.685 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000363304154 445758984 /nfs/dbraw/zinc/75/89/84/445758984.db2.gz ZQIACIXJHWINDO-KRWDZBQOSA-N 2 2 336.524 1.347 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000363304154 445758987 /nfs/dbraw/zinc/75/89/87/445758987.db2.gz ZQIACIXJHWINDO-KRWDZBQOSA-N 2 2 336.524 1.347 20 0 EDADLP COc1cccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)c1 ZINC000361494800 445787443 /nfs/dbraw/zinc/78/74/43/445787443.db2.gz AAKIYBYJCOZFCO-QGZVFWFLSA-N 2 2 335.492 1.736 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363417553 445795513 /nfs/dbraw/zinc/79/55/13/445795513.db2.gz JVKDZHLIWOYZFU-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP CC(C)n1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000361535044 445809375 /nfs/dbraw/zinc/80/93/75/445809375.db2.gz FHPQVVLCLINZKP-UHFFFAOYSA-N 2 2 333.480 1.752 20 0 EDADLP CN(C(=O)CC(C)(C)O)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000350683438 445879189 /nfs/dbraw/zinc/87/91/89/445879189.db2.gz GRPKDTOFKUFZND-IRXDYDNUSA-N 2 2 339.524 1.943 20 0 EDADLP CN(C(=O)CC(C)(C)O)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000350683438 445879191 /nfs/dbraw/zinc/87/91/91/445879191.db2.gz GRPKDTOFKUFZND-IRXDYDNUSA-N 2 2 339.524 1.943 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000361592992 445838567 /nfs/dbraw/zinc/83/85/67/445838567.db2.gz DRULENCKCSBLFU-GOSISDBHSA-N 2 2 347.459 1.568 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000361592992 445838572 /nfs/dbraw/zinc/83/85/72/445838572.db2.gz DRULENCKCSBLFU-GOSISDBHSA-N 2 2 347.459 1.568 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353985608 445840488 /nfs/dbraw/zinc/84/04/88/445840488.db2.gz DGKPNVQZVWKJEX-GLHLROKDSA-N 3 2 336.524 1.388 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353985608 445840491 /nfs/dbraw/zinc/84/04/91/445840491.db2.gz DGKPNVQZVWKJEX-GLHLROKDSA-N 3 2 336.524 1.388 20 0 EDADLP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353985608 445840494 /nfs/dbraw/zinc/84/04/94/445840494.db2.gz DGKPNVQZVWKJEX-GLHLROKDSA-N 3 2 336.524 1.388 20 0 EDADLP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353985608 445840497 /nfs/dbraw/zinc/84/04/97/445840497.db2.gz DGKPNVQZVWKJEX-GLHLROKDSA-N 3 2 336.524 1.388 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1ccnc(C[NH3+])c1)c1c(F)cccc1F ZINC000361625334 445853720 /nfs/dbraw/zinc/85/37/20/445853720.db2.gz FAXNGBMHSFQUST-HNNXBMFYSA-N 2 2 334.370 1.851 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000350665884 445875139 /nfs/dbraw/zinc/87/51/39/445875139.db2.gz ZVOZILRSYJSIFQ-UHFFFAOYSA-N 2 2 337.439 1.691 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCSC3)CC2)CC1 ZINC000361763886 445925798 /nfs/dbraw/zinc/92/57/98/445925798.db2.gz JLEIADGEDRWCLL-OAHLLOKOSA-N 2 2 340.537 1.740 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000354080027 445890914 /nfs/dbraw/zinc/89/09/14/445890914.db2.gz OOWIHESJJHFOBR-OAHLLOKOSA-N 2 2 329.448 1.875 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000359113040 445955656 /nfs/dbraw/zinc/95/56/56/445955656.db2.gz CJMAJOAWWIMORS-UHFFFAOYSA-N 2 2 331.420 1.102 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)nc[nH+]1 ZINC000369163875 445964013 /nfs/dbraw/zinc/96/40/13/445964013.db2.gz DMZFNUSZAVCZLM-RDTXWAMCSA-N 2 2 329.448 1.260 20 0 EDADLP CCNc1nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000366110061 446018934 /nfs/dbraw/zinc/01/89/34/446018934.db2.gz HIPIXXLAVPETRN-QGZVFWFLSA-N 2 2 333.484 1.468 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC000366110061 446018936 /nfs/dbraw/zinc/01/89/36/446018936.db2.gz HIPIXXLAVPETRN-QGZVFWFLSA-N 2 2 333.484 1.468 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC000366110061 446018937 /nfs/dbraw/zinc/01/89/37/446018937.db2.gz HIPIXXLAVPETRN-QGZVFWFLSA-N 2 2 333.484 1.468 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000366110061 446018938 /nfs/dbraw/zinc/01/89/38/446018938.db2.gz HIPIXXLAVPETRN-QGZVFWFLSA-N 2 2 333.484 1.468 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000366110061 446018939 /nfs/dbraw/zinc/01/89/39/446018939.db2.gz HIPIXXLAVPETRN-QGZVFWFLSA-N 2 2 333.484 1.468 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC=C(c3cncc(F)c3)CC2)CC1 ZINC000369264319 446029764 /nfs/dbraw/zinc/02/97/64/446029764.db2.gz HNGCYSPLFICUKD-HNNXBMFYSA-N 2 2 346.450 1.862 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC=C(c3cncc(F)c3)CC2)CC1 ZINC000369264319 446029770 /nfs/dbraw/zinc/02/97/70/446029770.db2.gz HNGCYSPLFICUKD-HNNXBMFYSA-N 2 2 346.450 1.862 20 0 EDADLP COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000369277131 446042960 /nfs/dbraw/zinc/04/29/60/446042960.db2.gz KJHRKOLNRNYEDN-HNNXBMFYSA-N 2 2 347.459 1.602 20 0 EDADLP COc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000369277131 446042963 /nfs/dbraw/zinc/04/29/63/446042963.db2.gz KJHRKOLNRNYEDN-HNNXBMFYSA-N 2 2 347.459 1.602 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000369218178 446000989 /nfs/dbraw/zinc/00/09/89/446000989.db2.gz GLLXYSQYRMIYPD-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000369218178 446000994 /nfs/dbraw/zinc/00/09/94/446000994.db2.gz GLLXYSQYRMIYPD-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000369218178 446000999 /nfs/dbraw/zinc/00/09/99/446000999.db2.gz GLLXYSQYRMIYPD-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000369218178 446001005 /nfs/dbraw/zinc/00/10/05/446001005.db2.gz GLLXYSQYRMIYPD-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](SCC1CC[NH2+]CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000583261473 326037297 /nfs/dbraw/zinc/03/72/97/326037297.db2.gz OULNNGDPSMOTDH-HNNXBMFYSA-N 2 2 348.516 1.852 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2c(C(=O)[O-])c[nH+]c3ccccc32)CC1 ZINC000583443219 326074555 /nfs/dbraw/zinc/07/45/55/326074555.db2.gz CUZLDIMWLHVQKX-UHFFFAOYSA-N 2 2 342.443 1.793 20 0 EDADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000583603399 326101622 /nfs/dbraw/zinc/10/16/22/326101622.db2.gz BEPSYQHNJPGEQT-OLZOCXBDSA-N 2 2 332.370 1.896 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc3cnn(C)c3c2)C[C@H](C)O1 ZINC000583626885 326106031 /nfs/dbraw/zinc/10/60/31/326106031.db2.gz QKRQWPKOGYTBQD-JKIFEVAISA-N 2 2 332.448 1.133 20 0 EDADLP CO[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)[C@@H](C[NH3+])C1 ZINC000359225515 446055602 /nfs/dbraw/zinc/05/56/02/446055602.db2.gz LXBHLEKTYHHWED-QZTJIDSGSA-N 2 2 347.459 1.097 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000583810917 326144230 /nfs/dbraw/zinc/14/42/30/326144230.db2.gz QAMBUSPBWMISHA-UHFFFAOYSA-N 2 2 339.443 1.568 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356835278 446058127 /nfs/dbraw/zinc/05/81/27/446058127.db2.gz BNWNZUJZZVXXDY-GJZGRUSLSA-N 2 2 333.480 1.183 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000356835278 446058130 /nfs/dbraw/zinc/05/81/30/446058130.db2.gz BNWNZUJZZVXXDY-GJZGRUSLSA-N 2 2 333.480 1.183 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000366179078 446065371 /nfs/dbraw/zinc/06/53/71/446065371.db2.gz PGZQQWLINRBMLT-INIZCTEOSA-N 2 2 338.496 1.412 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000366179078 446065377 /nfs/dbraw/zinc/06/53/77/446065377.db2.gz PGZQQWLINRBMLT-INIZCTEOSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCCc1ccccc1 ZINC000361924159 446072573 /nfs/dbraw/zinc/07/25/73/446072573.db2.gz DYDJEDLZUYCVIE-AZUAARDMSA-N 2 2 331.504 1.956 20 0 EDADLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCc1ccccc1 ZINC000361924159 446072578 /nfs/dbraw/zinc/07/25/78/446072578.db2.gz DYDJEDLZUYCVIE-AZUAARDMSA-N 2 2 331.504 1.956 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCc1ccccc1 ZINC000361924159 446072585 /nfs/dbraw/zinc/07/25/85/446072585.db2.gz DYDJEDLZUYCVIE-AZUAARDMSA-N 2 2 331.504 1.956 20 0 EDADLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCc1ccccc1 ZINC000361924159 446072593 /nfs/dbraw/zinc/07/25/93/446072593.db2.gz DYDJEDLZUYCVIE-AZUAARDMSA-N 2 2 331.504 1.956 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000369336760 446081678 /nfs/dbraw/zinc/08/16/78/446081678.db2.gz YHPOASNWCPPTHQ-HNNXBMFYSA-N 2 2 337.420 1.427 20 0 EDADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359300749 446133574 /nfs/dbraw/zinc/13/35/74/446133574.db2.gz HQSSWAIIMRTIRQ-ZIFCJYIRSA-N 2 2 343.471 1.900 20 0 EDADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359300749 446133581 /nfs/dbraw/zinc/13/35/81/446133581.db2.gz HQSSWAIIMRTIRQ-ZIFCJYIRSA-N 2 2 343.471 1.900 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCCNc1cc[nH+]cc1 ZINC000359258489 446093408 /nfs/dbraw/zinc/09/34/08/446093408.db2.gz AABSJXFJSCSMGV-UHFFFAOYSA-N 2 2 345.353 1.668 20 0 EDADLP O=C1C[C@H]([N@H+]2C[C@@H]3[C@H]4CCCC[NH+]4C[C@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207273 446096545 /nfs/dbraw/zinc/09/65/45/446096545.db2.gz WGIWTAFPPJLQFX-RVMXOQNASA-N 2 2 345.365 1.092 20 0 EDADLP O=C1C[C@H]([N@@H+]2C[C@@H]3[C@H]4CCCC[NH+]4C[C@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207273 446096549 /nfs/dbraw/zinc/09/65/49/446096549.db2.gz WGIWTAFPPJLQFX-RVMXOQNASA-N 2 2 345.365 1.092 20 0 EDADLP O=C1C[C@H]([NH+]2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207273 446096556 /nfs/dbraw/zinc/09/65/56/446096556.db2.gz WGIWTAFPPJLQFX-RVMXOQNASA-N 2 2 345.365 1.092 20 0 EDADLP O=C1C[C@H]([NH+]2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207273 446096562 /nfs/dbraw/zinc/09/65/62/446096562.db2.gz WGIWTAFPPJLQFX-RVMXOQNASA-N 2 2 345.365 1.092 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000369363118 446103923 /nfs/dbraw/zinc/10/39/23/446103923.db2.gz OXEZQHPVWIDFLR-HZPDHXFCSA-N 2 2 336.480 1.119 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000369363118 446103926 /nfs/dbraw/zinc/10/39/26/446103926.db2.gz OXEZQHPVWIDFLR-HZPDHXFCSA-N 2 2 336.480 1.119 20 0 EDADLP CC(C)[C@@H]1C[C@@H](CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000359269024 446106408 /nfs/dbraw/zinc/10/64/08/446106408.db2.gz VFCLDEURKBCGJL-WMZOPIPTSA-N 2 2 339.524 1.970 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1nc(N[C@@H]3CCCOC3)cc[nH+]1)C2 ZINC000365261441 446109713 /nfs/dbraw/zinc/10/97/13/446109713.db2.gz KSJJGQUYIVJTNY-UONOGXRCSA-N 2 2 328.420 1.999 20 0 EDADLP C[C@H](CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2)[NH+](C)C ZINC000351573932 446170779 /nfs/dbraw/zinc/17/07/79/446170779.db2.gz LHCPLROGHBMDOV-CYBMUJFWSA-N 2 2 326.444 1.903 20 0 EDADLP C[C@H](CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2)[NH+](C)C ZINC000351573932 446170783 /nfs/dbraw/zinc/17/07/83/446170783.db2.gz LHCPLROGHBMDOV-CYBMUJFWSA-N 2 2 326.444 1.903 20 0 EDADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@H+](C)Cc1ccccc1 ZINC000359365119 446176138 /nfs/dbraw/zinc/17/61/38/446176138.db2.gz VBKHQDZBGPRTCW-CQSZACIVSA-N 2 2 330.432 1.987 20 0 EDADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@@H+](C)Cc1ccccc1 ZINC000359365119 446176140 /nfs/dbraw/zinc/17/61/40/446176140.db2.gz VBKHQDZBGPRTCW-CQSZACIVSA-N 2 2 330.432 1.987 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000351581640 446179664 /nfs/dbraw/zinc/17/96/64/446179664.db2.gz MAEFOIFWDLFJBZ-MRXNPFEDSA-N 2 2 333.480 1.936 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000351581640 446179670 /nfs/dbraw/zinc/17/96/70/446179670.db2.gz MAEFOIFWDLFJBZ-MRXNPFEDSA-N 2 2 333.480 1.936 20 0 EDADLP OCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1 ZINC000359380943 446185956 /nfs/dbraw/zinc/18/59/56/446185956.db2.gz DHKNCPRGIBUWHT-LJQANCHMSA-N 2 2 333.476 1.813 20 0 EDADLP c1cn(Cc2ccc(NCc3cn(Cc4cccnc4)nn3)[nH+]c2)c[nH+]1 ZINC000351551490 446151613 /nfs/dbraw/zinc/15/16/13/446151613.db2.gz WWRAYDSNYTVWEV-UHFFFAOYSA-N 2 2 346.398 1.973 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3C[C@@H](C)S(=O)[C@H](C)C3)c2cc1C ZINC000362073106 446193932 /nfs/dbraw/zinc/19/39/32/446193932.db2.gz UFSQHSDINLIQPL-BZUAXINKSA-N 2 2 349.500 1.855 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 ZINC000351598577 446195959 /nfs/dbraw/zinc/19/59/59/446195959.db2.gz VUGQXCINJPPWAT-VQIMIIECSA-N 2 2 332.444 1.954 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 ZINC000351598577 446195964 /nfs/dbraw/zinc/19/59/64/446195964.db2.gz VUGQXCINJPPWAT-VQIMIIECSA-N 2 2 332.444 1.954 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366443085 446216917 /nfs/dbraw/zinc/21/69/17/446216917.db2.gz LXXWMBCHTJGTAN-KBXCAEBGSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366443085 446216922 /nfs/dbraw/zinc/21/69/22/446216922.db2.gz LXXWMBCHTJGTAN-KBXCAEBGSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366443085 446216930 /nfs/dbraw/zinc/21/69/30/446216930.db2.gz LXXWMBCHTJGTAN-KBXCAEBGSA-N 2 2 336.480 1.561 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366443085 446216934 /nfs/dbraw/zinc/21/69/34/446216934.db2.gz LXXWMBCHTJGTAN-KBXCAEBGSA-N 2 2 336.480 1.561 20 0 EDADLP c1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000365470613 446222338 /nfs/dbraw/zinc/22/23/38/446222338.db2.gz ITBOZAYCNCAMLZ-JYJNAYRXSA-N 2 2 329.448 1.234 20 0 EDADLP c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000365470613 446222343 /nfs/dbraw/zinc/22/23/43/446222343.db2.gz ITBOZAYCNCAMLZ-JYJNAYRXSA-N 2 2 329.448 1.234 20 0 EDADLP c1nc(N2CCOCC2)cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)[nH+]1 ZINC000365470613 446222347 /nfs/dbraw/zinc/22/23/47/446222347.db2.gz ITBOZAYCNCAMLZ-JYJNAYRXSA-N 2 2 329.448 1.234 20 0 EDADLP c1nc(N2CCOCC2)cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)[nH+]1 ZINC000365470613 446222353 /nfs/dbraw/zinc/22/23/53/446222353.db2.gz ITBOZAYCNCAMLZ-JYJNAYRXSA-N 2 2 329.448 1.234 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000365489956 446229778 /nfs/dbraw/zinc/22/97/78/446229778.db2.gz GRTCUHNMVNSLEK-LPHOPBHVSA-N 3 2 330.476 1.145 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000365489956 446229780 /nfs/dbraw/zinc/22/97/80/446229780.db2.gz GRTCUHNMVNSLEK-LPHOPBHVSA-N 3 2 330.476 1.145 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000362177189 446247867 /nfs/dbraw/zinc/24/78/67/446247867.db2.gz HRYYNGBFTVABSX-QGZVFWFLSA-N 2 2 332.448 1.195 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000362177189 446247869 /nfs/dbraw/zinc/24/78/69/446247869.db2.gz HRYYNGBFTVABSX-QGZVFWFLSA-N 2 2 332.448 1.195 20 0 EDADLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C1 ZINC000373697244 446306133 /nfs/dbraw/zinc/30/61/33/446306133.db2.gz PLORGMZWAHQIEW-DLBZAZTESA-N 2 2 344.521 1.169 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCSC(C)(C)C)CC2)C1 ZINC000370507741 446311169 /nfs/dbraw/zinc/31/11/69/446311169.db2.gz LAPOMYGXPSKIEY-INIZCTEOSA-N 2 2 329.554 1.856 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCSC(C)(C)C)CC2)C1 ZINC000370507741 446311170 /nfs/dbraw/zinc/31/11/70/446311170.db2.gz LAPOMYGXPSKIEY-INIZCTEOSA-N 2 2 329.554 1.856 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000370508721 446312257 /nfs/dbraw/zinc/31/22/57/446312257.db2.gz QIGFDKUZGNVIEW-MRXNPFEDSA-N 2 2 345.487 1.265 20 0 EDADLP CCc1nc(C[NH+]2C[C@H]3CN(c4cc(C)[nH+]c(CC)n4)C[C@@H]3C2)no1 ZINC000376117706 446342191 /nfs/dbraw/zinc/34/21/91/446342191.db2.gz SFGNGMNIKYWIEH-KBPBESRZSA-N 2 2 342.447 1.861 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417510204 446358699 /nfs/dbraw/zinc/35/86/99/446358699.db2.gz SHXRHSXHHQDCFF-KRWDZBQOSA-N 2 2 348.491 1.877 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417510204 446358702 /nfs/dbraw/zinc/35/87/02/446358702.db2.gz SHXRHSXHHQDCFF-KRWDZBQOSA-N 2 2 348.491 1.877 20 0 EDADLP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000370616152 446359306 /nfs/dbraw/zinc/35/93/06/446359306.db2.gz OPPFMJUPPWMQHU-GOEBONIOSA-N 2 2 338.521 1.817 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000376183437 446370058 /nfs/dbraw/zinc/37/00/58/446370058.db2.gz YSIPWBJYFWIMSE-DLBZAZTESA-N 2 2 348.491 1.699 20 0 EDADLP CO[C@H](C)c1nsc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370690540 446388807 /nfs/dbraw/zinc/38/88/07/446388807.db2.gz PKYMHSWBQQTOPD-TZMCWYRMSA-N 2 2 339.509 1.850 20 0 EDADLP CO[C@H](C)c1nsc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370690540 446388811 /nfs/dbraw/zinc/38/88/11/446388811.db2.gz PKYMHSWBQQTOPD-TZMCWYRMSA-N 2 2 339.509 1.850 20 0 EDADLP C[C@H]1CN(C(=O)/C=C/c2cncc(O)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374786865 446393018 /nfs/dbraw/zinc/39/30/18/446393018.db2.gz CIGKNRVWPIOYAG-BWPKMQGJSA-N 2 2 344.459 1.427 20 0 EDADLP C[C@H]1CN(C(=O)/C=C/c2cncc(O)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374786865 446393025 /nfs/dbraw/zinc/39/30/25/446393025.db2.gz CIGKNRVWPIOYAG-BWPKMQGJSA-N 2 2 344.459 1.427 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417947762 446395892 /nfs/dbraw/zinc/39/58/92/446395892.db2.gz GZKPPJSQDGCMBM-KMUNFCNLSA-N 2 2 326.391 1.604 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417947762 446395898 /nfs/dbraw/zinc/39/58/98/446395898.db2.gz GZKPPJSQDGCMBM-KMUNFCNLSA-N 2 2 326.391 1.604 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417950997 446397236 /nfs/dbraw/zinc/39/72/36/446397236.db2.gz LATOLAMQJYZJOF-XFBWCDHKSA-N 2 2 338.402 1.713 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417950997 446397239 /nfs/dbraw/zinc/39/72/39/446397239.db2.gz LATOLAMQJYZJOF-XFBWCDHKSA-N 2 2 338.402 1.713 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1O ZINC000370709433 446398206 /nfs/dbraw/zinc/39/82/06/446398206.db2.gz RHSNAFJNHAYSHG-RDJZCZTQSA-N 2 2 333.476 1.859 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1O ZINC000370709433 446398213 /nfs/dbraw/zinc/39/82/13/446398213.db2.gz RHSNAFJNHAYSHG-RDJZCZTQSA-N 2 2 333.476 1.859 20 0 EDADLP C[NH+]1CCC2(CCCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000374049421 446349384 /nfs/dbraw/zinc/34/93/84/446349384.db2.gz HFBNOBXFXLWRQI-GOSISDBHSA-N 2 2 349.519 1.964 20 0 EDADLP C[NH+]1CCC2(CCCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)CC1 ZINC000374049421 446349388 /nfs/dbraw/zinc/34/93/88/446349388.db2.gz HFBNOBXFXLWRQI-GOSISDBHSA-N 2 2 349.519 1.964 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000431796110 446435015 /nfs/dbraw/zinc/43/50/15/446435015.db2.gz JBQOSDBCLHMKOT-QGZVFWFLSA-N 2 2 326.444 1.884 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000370779328 446436855 /nfs/dbraw/zinc/43/68/55/446436855.db2.gz LNWKJDVSSHXLEQ-HNNXBMFYSA-N 2 2 337.489 1.021 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000370779328 446436863 /nfs/dbraw/zinc/43/68/63/446436863.db2.gz LNWKJDVSSHXLEQ-HNNXBMFYSA-N 2 2 337.489 1.021 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420265192 446439040 /nfs/dbraw/zinc/43/90/40/446439040.db2.gz BHKBJNBRCRPUHX-QGZVFWFLSA-N 2 2 339.505 1.380 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420265192 446439046 /nfs/dbraw/zinc/43/90/46/446439046.db2.gz BHKBJNBRCRPUHX-QGZVFWFLSA-N 2 2 339.505 1.380 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]CCCn2cc[nH+]c2)CC(=O)N1C ZINC000431949619 446444530 /nfs/dbraw/zinc/44/45/30/446444530.db2.gz JIFKACZWFYRKHU-RHSMWYFYSA-N 2 2 330.436 1.185 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420282683 446450329 /nfs/dbraw/zinc/45/03/29/446450329.db2.gz BAEUMHJHUBFLKO-ZWKOTPCHSA-N 3 2 334.508 1.711 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376286902 446414832 /nfs/dbraw/zinc/41/48/32/446414832.db2.gz BIROWPIWQIQLEZ-ZBFHGGJFSA-N 2 2 335.452 1.086 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000418041690 446423679 /nfs/dbraw/zinc/42/36/79/446423679.db2.gz AVKJBCXBXCODHA-INIZCTEOSA-N 2 2 338.883 1.981 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000418041690 446423680 /nfs/dbraw/zinc/42/36/80/446423680.db2.gz AVKJBCXBXCODHA-INIZCTEOSA-N 2 2 338.883 1.981 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCc2cccc3cccnc32)CC[C@H]1[NH3+] ZINC000420292683 446456416 /nfs/dbraw/zinc/45/64/16/446456416.db2.gz PVLIXLAGNPVBSO-WMLDXEAASA-N 2 2 326.444 1.563 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCc2cccc3cccnc32)CC[C@H]1[NH3+] ZINC000420292683 446456423 /nfs/dbraw/zinc/45/64/23/446456423.db2.gz PVLIXLAGNPVBSO-WMLDXEAASA-N 2 2 326.444 1.563 20 0 EDADLP CN(C(=O)c1n[nH]c2c1CCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831510 446465559 /nfs/dbraw/zinc/46/55/59/446465559.db2.gz VIGWGNBYGXSLFS-AWEZNQCLSA-N 2 2 331.464 1.139 20 0 EDADLP CN(C(=O)c1n[nH]c2c1CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831510 446465563 /nfs/dbraw/zinc/46/55/63/446465563.db2.gz VIGWGNBYGXSLFS-AWEZNQCLSA-N 2 2 331.464 1.139 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420302839 446465809 /nfs/dbraw/zinc/46/58/09/446465809.db2.gz CCUOSSMTASMZKU-OAHLLOKOSA-N 2 2 333.432 1.794 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420302839 446465817 /nfs/dbraw/zinc/46/58/17/446465817.db2.gz CCUOSSMTASMZKU-OAHLLOKOSA-N 2 2 333.432 1.794 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420309154 446471373 /nfs/dbraw/zinc/47/13/73/446471373.db2.gz DMSJPWACWPRXJX-YIONKMFJSA-N 2 2 345.443 1.651 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420309154 446471382 /nfs/dbraw/zinc/47/13/82/446471382.db2.gz DMSJPWACWPRXJX-YIONKMFJSA-N 2 2 345.443 1.651 20 0 EDADLP CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370840967 446473058 /nfs/dbraw/zinc/47/30/58/446473058.db2.gz LGISWXYEYRTQNA-MRXNPFEDSA-N 2 2 345.443 1.656 20 0 EDADLP CN(C(=O)c1ccc2c(c1)OCO2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370840967 446473065 /nfs/dbraw/zinc/47/30/65/446473065.db2.gz LGISWXYEYRTQNA-MRXNPFEDSA-N 2 2 345.443 1.656 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420317502 446483576 /nfs/dbraw/zinc/48/35/76/446483576.db2.gz UQNUEJJWAPZDPM-LSDHHAIUSA-N 2 2 325.453 1.005 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000420317502 446483579 /nfs/dbraw/zinc/48/35/79/446483579.db2.gz UQNUEJJWAPZDPM-LSDHHAIUSA-N 2 2 325.453 1.005 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](c3cnn(C)c3)C2)CC1 ZINC000367042863 446485102 /nfs/dbraw/zinc/48/51/02/446485102.db2.gz LCFAFWHKNJDBBW-SFHVURJKSA-N 2 2 335.496 1.210 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](c3cnn(C)c3)C2)CC1 ZINC000367042863 446485114 /nfs/dbraw/zinc/48/51/14/446485114.db2.gz LCFAFWHKNJDBBW-SFHVURJKSA-N 2 2 335.496 1.210 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(C)[nH+]1 ZINC000411358918 446504288 /nfs/dbraw/zinc/50/42/88/446504288.db2.gz QKDNPQFUELTMJS-LSDHHAIUSA-N 2 2 330.432 1.498 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c(C)[nH+]1 ZINC000411358918 446504293 /nfs/dbraw/zinc/50/42/93/446504293.db2.gz QKDNPQFUELTMJS-LSDHHAIUSA-N 2 2 330.432 1.498 20 0 EDADLP CCCCNc1cc(N2CC[NH+]([C@H]3CCSC3)CC2)nc(N)[nH+]1 ZINC000376453014 446505085 /nfs/dbraw/zinc/50/50/85/446505085.db2.gz DKEDHRDYJILLME-ZDUSSCGKSA-N 2 2 336.509 1.898 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NCCC[NH3+] ZINC000418339824 446506927 /nfs/dbraw/zinc/50/69/27/446506927.db2.gz BSAJVZSEHATYKY-STQMWFEESA-N 2 2 343.472 1.354 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)NCCC[NH3+] ZINC000418339824 446506932 /nfs/dbraw/zinc/50/69/32/446506932.db2.gz BSAJVZSEHATYKY-STQMWFEESA-N 2 2 343.472 1.354 20 0 EDADLP CN(C(=O)NCCCOC(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375012348 446512024 /nfs/dbraw/zinc/51/20/24/446512024.db2.gz UZBVYVAPXMZZOM-CQSZACIVSA-N 2 2 348.438 1.426 20 0 EDADLP CN(C(=O)NCCCOC(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375012348 446512028 /nfs/dbraw/zinc/51/20/28/446512028.db2.gz UZBVYVAPXMZZOM-CQSZACIVSA-N 2 2 348.438 1.426 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418364698 446514878 /nfs/dbraw/zinc/51/48/78/446514878.db2.gz DHELETMQQGEFLM-HUUCEWRRSA-N 2 2 333.480 1.964 20 0 EDADLP CC[NH2+]CCNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000418322430 446497265 /nfs/dbraw/zinc/49/72/65/446497265.db2.gz DXJQSRWTMWVOAW-KRWDZBQOSA-N 2 2 348.491 1.528 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCCOC1CCCCC1 ZINC000420385577 446560562 /nfs/dbraw/zinc/56/05/62/446560562.db2.gz UVANDRHURUALQA-LJQANCHMSA-N 2 2 337.508 1.918 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCCOC1CCCCC1 ZINC000420385577 446560566 /nfs/dbraw/zinc/56/05/66/446560566.db2.gz UVANDRHURUALQA-LJQANCHMSA-N 2 2 337.508 1.918 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@@H]1C[NH3+] ZINC000420388906 446562931 /nfs/dbraw/zinc/56/29/31/446562931.db2.gz XMNMMHOGLHZSQV-KBPBESRZSA-N 2 2 344.459 1.667 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C[C@@H]1C[NH3+] ZINC000420388906 446562935 /nfs/dbraw/zinc/56/29/35/446562935.db2.gz XMNMMHOGLHZSQV-KBPBESRZSA-N 2 2 344.459 1.667 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420389700 446565088 /nfs/dbraw/zinc/56/50/88/446565088.db2.gz OYMBFFIREKSGEF-UHFFFAOYSA-N 3 2 332.492 1.440 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420389700 446565093 /nfs/dbraw/zinc/56/50/93/446565093.db2.gz OYMBFFIREKSGEF-UHFFFAOYSA-N 3 2 332.492 1.440 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420389968 446565723 /nfs/dbraw/zinc/56/57/23/446565723.db2.gz MVSAFMQFSQFTEK-QGZVFWFLSA-N 2 2 335.448 1.093 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420389968 446565729 /nfs/dbraw/zinc/56/57/29/446565729.db2.gz MVSAFMQFSQFTEK-QGZVFWFLSA-N 2 2 335.448 1.093 20 0 EDADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423402739 446519832 /nfs/dbraw/zinc/51/98/32/446519832.db2.gz XBQUNEUXHZGHOW-ILXRZTDVSA-N 3 2 328.382 1.557 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@@H]1C ZINC000411410952 446527297 /nfs/dbraw/zinc/52/72/97/446527297.db2.gz UGZLZSQUQISZEZ-QWHCGFSZSA-N 2 2 329.404 1.214 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@@H]1C ZINC000411410952 446527301 /nfs/dbraw/zinc/52/73/01/446527301.db2.gz UGZLZSQUQISZEZ-QWHCGFSZSA-N 2 2 329.404 1.214 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000376506523 446542917 /nfs/dbraw/zinc/54/29/17/446542917.db2.gz LEPUPGCDLGDVRL-QGZVFWFLSA-N 2 2 332.492 1.919 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000376506523 446542927 /nfs/dbraw/zinc/54/29/27/446542927.db2.gz LEPUPGCDLGDVRL-QGZVFWFLSA-N 2 2 332.492 1.919 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420366790 446545799 /nfs/dbraw/zinc/54/57/99/446545799.db2.gz MINOPXYGRNNVEC-RPVQJOFSSA-N 2 2 333.476 1.775 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H](C)C[NH3+])on1 ZINC000418471097 446556848 /nfs/dbraw/zinc/55/68/48/446556848.db2.gz LXOCNJKERFMSJX-UBHSHLNASA-N 2 2 341.431 1.132 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)NC[C@@H](C)C[NH3+])on1 ZINC000418471097 446556856 /nfs/dbraw/zinc/55/68/56/446556856.db2.gz LXOCNJKERFMSJX-UBHSHLNASA-N 2 2 341.431 1.132 20 0 EDADLP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000423516038 446557799 /nfs/dbraw/zinc/55/77/99/446557799.db2.gz NIKIECBXVHTTNY-PBHICJAKSA-N 2 2 333.480 1.771 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000433988899 446613984 /nfs/dbraw/zinc/61/39/84/446613984.db2.gz UGZUNSVSYWSPSI-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000433997490 446615535 /nfs/dbraw/zinc/61/55/35/446615535.db2.gz QQNWQXQKAIHBFJ-MRXNPFEDSA-N 2 2 348.491 1.610 20 0 EDADLP COc1ccncc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000376553365 446571674 /nfs/dbraw/zinc/57/16/74/446571674.db2.gz MVCVCZMUQOYNKK-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP COc1ccncc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376553365 446571681 /nfs/dbraw/zinc/57/16/81/446571681.db2.gz MVCVCZMUQOYNKK-JWTNVVGKSA-N 2 2 330.476 1.833 20 0 EDADLP C[C@@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C[NH2+]1 ZINC000420397723 446572296 /nfs/dbraw/zinc/57/22/96/446572296.db2.gz MWPKPMBYUCZHDY-HZPDHXFCSA-N 2 2 346.475 1.140 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423561667 446575476 /nfs/dbraw/zinc/57/54/76/446575476.db2.gz PVZLVSTZRYPBOW-YPMHNXCESA-N 2 2 328.254 1.731 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000376560113 446576408 /nfs/dbraw/zinc/57/64/08/446576408.db2.gz APWCNOFCNDBQTL-CVEARBPZSA-N 2 2 336.480 1.119 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000423563889 446576644 /nfs/dbraw/zinc/57/66/44/446576644.db2.gz XKZDQCSETMSQLW-BZUAXINKSA-N 2 2 349.479 1.124 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000376585067 446592162 /nfs/dbraw/zinc/59/21/62/446592162.db2.gz RZJZXUOZURVADZ-GOSISDBHSA-N 2 2 342.443 1.657 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000376585067 446592170 /nfs/dbraw/zinc/59/21/70/446592170.db2.gz RZJZXUOZURVADZ-GOSISDBHSA-N 2 2 342.443 1.657 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000420418599 446592675 /nfs/dbraw/zinc/59/26/75/446592675.db2.gz XAKAHGMINGVPAM-BPQIPLTHSA-N 3 2 332.492 1.322 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000420418599 446592680 /nfs/dbraw/zinc/59/26/80/446592680.db2.gz XAKAHGMINGVPAM-BPQIPLTHSA-N 3 2 332.492 1.322 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418654471 446636124 /nfs/dbraw/zinc/63/61/24/446636124.db2.gz BWVSVIQYJHDEEV-SJLPKXTDSA-N 2 2 348.491 1.829 20 0 EDADLP CCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)C(=O)OCC ZINC000411653116 446636273 /nfs/dbraw/zinc/63/62/73/446636273.db2.gz WBBWXNWRCQLDEK-HNNXBMFYSA-N 2 2 341.496 1.639 20 0 EDADLP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)C(=O)OCC ZINC000411653116 446636278 /nfs/dbraw/zinc/63/62/78/446636278.db2.gz WBBWXNWRCQLDEK-HNNXBMFYSA-N 2 2 341.496 1.639 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098579 446640050 /nfs/dbraw/zinc/64/00/50/446640050.db2.gz BTPNCWSRTACXFL-STQMWFEESA-N 2 2 348.472 1.882 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098579 446640056 /nfs/dbraw/zinc/64/00/56/446640056.db2.gz BTPNCWSRTACXFL-STQMWFEESA-N 2 2 348.472 1.882 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](C)CCCC[NH3+])CC2 ZINC000423698307 446646449 /nfs/dbraw/zinc/64/64/49/446646449.db2.gz OTDIFHOUVUIZCL-CQSZACIVSA-N 2 2 349.475 1.696 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](C)CCCC[NH3+])CC2 ZINC000423698307 446646452 /nfs/dbraw/zinc/64/64/52/446646452.db2.gz OTDIFHOUVUIZCL-CQSZACIVSA-N 2 2 349.475 1.696 20 0 EDADLP CCCCNC(=O)CC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000411734616 446662900 /nfs/dbraw/zinc/66/29/00/446662900.db2.gz UEBGZEKFTOSTOU-HNNXBMFYSA-N 2 2 334.464 1.907 20 0 EDADLP CCCCNC(=O)CC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000411734616 446662902 /nfs/dbraw/zinc/66/29/02/446662902.db2.gz UEBGZEKFTOSTOU-HNNXBMFYSA-N 2 2 334.464 1.907 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@@H](O)CC(C)(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368144341 446668443 /nfs/dbraw/zinc/66/84/43/446668443.db2.gz UNMUGJSWPWJOSC-NVXWUHKLSA-N 2 2 339.524 1.801 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@@H](O)CC(C)(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368144341 446668450 /nfs/dbraw/zinc/66/84/50/446668450.db2.gz UNMUGJSWPWJOSC-NVXWUHKLSA-N 2 2 339.524 1.801 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418749379 446669108 /nfs/dbraw/zinc/66/91/08/446669108.db2.gz CCHUKXRWLKNSKZ-HNNXBMFYSA-N 2 2 346.466 1.995 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423650723 446626232 /nfs/dbraw/zinc/62/62/32/446626232.db2.gz LYTYBIHMZJCJCS-QGZVFWFLSA-N 2 2 345.443 1.608 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423650723 446626238 /nfs/dbraw/zinc/62/62/38/446626238.db2.gz LYTYBIHMZJCJCS-QGZVFWFLSA-N 2 2 345.443 1.608 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+](C)Cc3nccc(N)n3)C2)nc(C(C)C)[nH+]1 ZINC000434225042 446629023 /nfs/dbraw/zinc/62/90/23/446629023.db2.gz IRQGVMFWXIIKCF-CQSZACIVSA-N 2 2 341.463 1.991 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+](C)Cc3nccc(N)n3)C2)nc(C(C)C)[nH+]1 ZINC000434225042 446629029 /nfs/dbraw/zinc/62/90/29/446629029.db2.gz IRQGVMFWXIIKCF-CQSZACIVSA-N 2 2 341.463 1.991 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3ncccn3)C2)C1 ZINC000376651122 446629912 /nfs/dbraw/zinc/62/99/12/446629912.db2.gz JRKLPEGMIPNIJP-JKSUJKDBSA-N 2 2 346.479 1.177 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3ncccn3)C2)C1 ZINC000376651122 446629917 /nfs/dbraw/zinc/62/99/17/446629917.db2.gz JRKLPEGMIPNIJP-JKSUJKDBSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)C1 ZINC000376651122 446629921 /nfs/dbraw/zinc/62/99/21/446629921.db2.gz JRKLPEGMIPNIJP-JKSUJKDBSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)C1 ZINC000376651122 446629929 /nfs/dbraw/zinc/62/99/29/446629929.db2.gz JRKLPEGMIPNIJP-JKSUJKDBSA-N 2 2 346.479 1.177 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)C[NH2+]CC3CC3)CC2)cn1 ZINC000423758914 446686731 /nfs/dbraw/zinc/68/67/31/446686731.db2.gz ODKURNUMZVHKKW-UHFFFAOYSA-N 2 2 333.480 1.327 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)C[NH2+]CC3CC3)CC2)cn1 ZINC000423758914 446686743 /nfs/dbraw/zinc/68/67/43/446686743.db2.gz ODKURNUMZVHKKW-UHFFFAOYSA-N 2 2 333.480 1.327 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)s1 ZINC000423767505 446694920 /nfs/dbraw/zinc/69/49/20/446694920.db2.gz ZKDXTXKOALKIBV-LSDHHAIUSA-N 2 2 337.489 1.688 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280646 446739090 /nfs/dbraw/zinc/73/90/90/446739090.db2.gz RJVLTRXWCWQAJW-AEFFLSMTSA-N 3 2 330.476 1.361 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280646 446739094 /nfs/dbraw/zinc/73/90/94/446739094.db2.gz RJVLTRXWCWQAJW-AEFFLSMTSA-N 3 2 330.476 1.361 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000368200265 446704369 /nfs/dbraw/zinc/70/43/69/446704369.db2.gz CGQLTNFIXVSWBE-VNQPRFMTSA-N 2 2 335.452 1.109 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000368200265 446704375 /nfs/dbraw/zinc/70/43/75/446704375.db2.gz CGQLTNFIXVSWBE-VNQPRFMTSA-N 2 2 335.452 1.109 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423821292 446710540 /nfs/dbraw/zinc/71/05/40/446710540.db2.gz HJCPKEUIOLFQHY-ZDBHGNHJSA-N 2 2 329.366 1.950 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423821292 446710549 /nfs/dbraw/zinc/71/05/49/446710549.db2.gz HJCPKEUIOLFQHY-ZDBHGNHJSA-N 2 2 329.366 1.950 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000368224778 446721024 /nfs/dbraw/zinc/72/10/24/446721024.db2.gz FNAMQMWUTCTOEC-YOEHRIQHSA-N 2 2 329.460 1.378 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000368224778 446721026 /nfs/dbraw/zinc/72/10/26/446721026.db2.gz FNAMQMWUTCTOEC-YOEHRIQHSA-N 2 2 329.460 1.378 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423835488 446723036 /nfs/dbraw/zinc/72/30/36/446723036.db2.gz VJCOPWUYFMTXTB-PVUWLOKVSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423835488 446723041 /nfs/dbraw/zinc/72/30/41/446723041.db2.gz VJCOPWUYFMTXTB-PVUWLOKVSA-N 2 2 339.386 1.205 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)C[NH2+]CCOC)[C@H](C)C1 ZINC000423861608 446734129 /nfs/dbraw/zinc/73/41/29/446734129.db2.gz QHDYHYOUTXPTEG-MRXNPFEDSA-N 2 2 349.475 1.354 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)C[NH2+]CCOC)[C@H](C)C1 ZINC000423861608 446734133 /nfs/dbraw/zinc/73/41/33/446734133.db2.gz QHDYHYOUTXPTEG-MRXNPFEDSA-N 2 2 349.475 1.354 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCc1cccs1 ZINC000371300120 446756580 /nfs/dbraw/zinc/75/65/80/446756580.db2.gz MZFMBYYJMNFGAO-BMFZPTHFSA-N 2 2 337.489 1.548 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCc1cccs1 ZINC000371300120 446756585 /nfs/dbraw/zinc/75/65/85/446756585.db2.gz MZFMBYYJMNFGAO-BMFZPTHFSA-N 2 2 337.489 1.548 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2COC3(CCCC3)O2)CC1 ZINC000368291166 446763058 /nfs/dbraw/zinc/76/30/58/446763058.db2.gz MITGQUMWRAYIMD-INIZCTEOSA-N 2 2 340.464 1.679 20 0 EDADLP O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423934744 446785206 /nfs/dbraw/zinc/78/52/06/446785206.db2.gz ZQOFFWYXSMVQCL-HZPDHXFCSA-N 2 2 344.459 1.661 20 0 EDADLP CC(C)(CNC(=O)NCCCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000454160642 446794488 /nfs/dbraw/zinc/79/44/88/446794488.db2.gz FNQWHKBPJWKSKQ-UHFFFAOYSA-N 2 2 340.512 1.663 20 0 EDADLP COCCn1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000371423090 446845117 /nfs/dbraw/zinc/84/51/17/446845117.db2.gz UPGGMGJRUSUCNK-GOSISDBHSA-N 2 2 335.496 1.131 20 0 EDADLP COCCn1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000371423090 446845121 /nfs/dbraw/zinc/84/51/21/446845121.db2.gz UPGGMGJRUSUCNK-GOSISDBHSA-N 2 2 335.496 1.131 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000371426364 446846754 /nfs/dbraw/zinc/84/67/54/446846754.db2.gz POLYURVANQUTTO-QGZVFWFLSA-N 2 2 327.476 1.794 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cn4ccccc4n3)C2)CC1 ZINC000371426364 446846761 /nfs/dbraw/zinc/84/67/61/446846761.db2.gz POLYURVANQUTTO-QGZVFWFLSA-N 2 2 327.476 1.794 20 0 EDADLP CCC1(CC)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C[C@H]1OC ZINC000375505944 446857577 /nfs/dbraw/zinc/85/75/77/446857577.db2.gz ODEQWEVSGVQOJZ-DNNBLBMLSA-N 2 2 334.464 1.923 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000368437483 446861262 /nfs/dbraw/zinc/86/12/62/446861262.db2.gz GCIFZWAFHIYEKA-MRXNPFEDSA-N 2 2 330.436 1.078 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000368437483 446861265 /nfs/dbraw/zinc/86/12/65/446861265.db2.gz GCIFZWAFHIYEKA-MRXNPFEDSA-N 2 2 330.436 1.078 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375517304 446866025 /nfs/dbraw/zinc/86/60/25/446866025.db2.gz QVLPHABMBAUOER-OLZOCXBDSA-N 2 2 327.375 1.920 20 0 EDADLP Cc1ccc(N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)[nH+]c1 ZINC000377039781 446878480 /nfs/dbraw/zinc/87/84/80/446878480.db2.gz LCAWFKIRMZGISS-KRWDZBQOSA-N 2 2 346.475 1.445 20 0 EDADLP COC(=O)C1(O)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420929744 446901810 /nfs/dbraw/zinc/90/18/10/446901810.db2.gz DNRREJRNEQGCIU-UHFFFAOYSA-N 2 2 348.443 1.019 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)NC2CC[NH+](Cc3cscn3)CC2)CC1 ZINC000371508724 446902521 /nfs/dbraw/zinc/90/25/21/446902521.db2.gz LQWPIASMDLUJJL-UHFFFAOYSA-N 2 2 349.504 1.669 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)NC2CC[NH+](Cc3cscn3)CC2)CC1 ZINC000371508724 446902524 /nfs/dbraw/zinc/90/25/24/446902524.db2.gz LQWPIASMDLUJJL-UHFFFAOYSA-N 2 2 349.504 1.669 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)[C@@H](C)C1 ZINC000412234642 446907884 /nfs/dbraw/zinc/90/78/84/446907884.db2.gz QOJHQCRXZWBKKF-WCVJEAGWSA-N 2 2 339.480 1.344 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)[C@@H](C)C1 ZINC000412234642 446907891 /nfs/dbraw/zinc/90/78/91/446907891.db2.gz QOJHQCRXZWBKKF-WCVJEAGWSA-N 2 2 339.480 1.344 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(CO)c1 ZINC000368595475 446968205 /nfs/dbraw/zinc/96/82/05/446968205.db2.gz SSAVCAIAURDZQO-QFBILLFUSA-N 2 2 333.476 1.236 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377231634 447009797 /nfs/dbraw/zinc/00/97/97/447009797.db2.gz KQFVJVWVNWSTPK-UHFFFAOYSA-N 2 2 344.463 1.668 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375746121 447018594 /nfs/dbraw/zinc/01/85/94/447018594.db2.gz WYPRUVRWYNYGAQ-XYPWUTKMSA-N 2 2 345.443 1.953 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375746121 447018600 /nfs/dbraw/zinc/01/86/00/447018600.db2.gz WYPRUVRWYNYGAQ-XYPWUTKMSA-N 2 2 345.443 1.953 20 0 EDADLP C[NH+](CC(=O)Nc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375746121 447018606 /nfs/dbraw/zinc/01/86/06/447018606.db2.gz WYPRUVRWYNYGAQ-XYPWUTKMSA-N 2 2 345.443 1.953 20 0 EDADLP C[NH+](CC(=O)Nc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375746121 447018611 /nfs/dbraw/zinc/01/86/11/447018611.db2.gz WYPRUVRWYNYGAQ-XYPWUTKMSA-N 2 2 345.443 1.953 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c2n1CCCC2 ZINC000371982647 446980220 /nfs/dbraw/zinc/98/02/20/446980220.db2.gz CBPJPWWDTNKAQG-ZIAGYGMSSA-N 2 2 349.479 1.124 20 0 EDADLP Cc1[nH+]c(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c2n1CCCC2 ZINC000371982647 446980226 /nfs/dbraw/zinc/98/02/26/446980226.db2.gz CBPJPWWDTNKAQG-ZIAGYGMSSA-N 2 2 349.479 1.124 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000424998561 446986949 /nfs/dbraw/zinc/98/69/49/446986949.db2.gz JIZAPRBNCRRMCN-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000424998561 446986953 /nfs/dbraw/zinc/98/69/53/446986953.db2.gz JIZAPRBNCRRMCN-UHFFFAOYSA-N 2 2 333.476 1.688 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000372090492 446996170 /nfs/dbraw/zinc/99/61/70/446996170.db2.gz KZBYCENIQWXZRQ-UONOGXRCSA-N 2 2 336.436 1.149 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000372090492 446996175 /nfs/dbraw/zinc/99/61/75/446996175.db2.gz KZBYCENIQWXZRQ-UONOGXRCSA-N 2 2 336.436 1.149 20 0 EDADLP O=C(C[N@@H+]1CC[C@]12CCOC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000421031450 447001553 /nfs/dbraw/zinc/00/15/53/447001553.db2.gz KHPBSSQTPZWRJJ-QGZVFWFLSA-N 2 2 335.473 1.257 20 0 EDADLP O=C(C[N@H+]1CC[C@]12CCOC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000421031450 447001556 /nfs/dbraw/zinc/00/15/56/447001556.db2.gz KHPBSSQTPZWRJJ-QGZVFWFLSA-N 2 2 335.473 1.257 20 0 EDADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000377305982 447054283 /nfs/dbraw/zinc/05/42/83/447054283.db2.gz QHGFAHHHALTQQI-GOEBONIOSA-N 2 2 349.479 1.481 20 0 EDADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000377305982 447054288 /nfs/dbraw/zinc/05/42/88/447054288.db2.gz QHGFAHHHALTQQI-GOEBONIOSA-N 2 2 349.479 1.481 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)cc(C)[nH+]1 ZINC000421213475 447069082 /nfs/dbraw/zinc/06/90/82/447069082.db2.gz BKWGQVIQLSPSKZ-UHFFFAOYSA-N 2 2 326.400 1.643 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425398882 447144208 /nfs/dbraw/zinc/14/42/08/447144208.db2.gz CUZUAQCXRIVPQJ-IRXDYDNUSA-N 2 2 336.524 1.488 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425398882 447144214 /nfs/dbraw/zinc/14/42/14/447144214.db2.gz CUZUAQCXRIVPQJ-IRXDYDNUSA-N 2 2 336.524 1.488 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000375932138 447158755 /nfs/dbraw/zinc/15/87/55/447158755.db2.gz MOUJHXGPANGLOA-KBPBESRZSA-N 2 2 339.436 1.804 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000375932138 447158766 /nfs/dbraw/zinc/15/87/66/447158766.db2.gz MOUJHXGPANGLOA-KBPBESRZSA-N 2 2 339.436 1.804 20 0 EDADLP C[NH2+][C@@H](C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1cnn(C)c1 ZINC000375941992 447165335 /nfs/dbraw/zinc/16/53/35/447165335.db2.gz RAUZXOUCUWQDFQ-QGZVFWFLSA-N 2 2 342.447 1.169 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)s1 ZINC000375955753 447172731 /nfs/dbraw/zinc/17/27/31/447172731.db2.gz SQNSIGWNGGQBHI-HOTGVXAUSA-N 2 2 348.516 1.970 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)s1 ZINC000375955753 447172736 /nfs/dbraw/zinc/17/27/36/447172736.db2.gz SQNSIGWNGGQBHI-HOTGVXAUSA-N 2 2 348.516 1.970 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)n1C ZINC000414286304 447285520 /nfs/dbraw/zinc/28/55/20/447285520.db2.gz SGDPBFJBNXBIOR-SFHVURJKSA-N 2 2 343.475 1.649 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C)n(C)n3)cn2)CC1 ZINC000414307376 447289791 /nfs/dbraw/zinc/28/97/91/447289791.db2.gz HHKWHVSTCVZXGC-UHFFFAOYSA-N 2 2 328.464 1.555 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCCc2[nH+]ccn21 ZINC000377681785 447291349 /nfs/dbraw/zinc/29/13/49/447291349.db2.gz RHJMFJVKVNLQMJ-HNNXBMFYSA-N 2 2 341.415 1.309 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(c3ccccc3)CC2)CC1 ZINC000377684407 447292448 /nfs/dbraw/zinc/29/24/48/447292448.db2.gz WTVOHFYKBVFSBM-IBGZPJMESA-N 2 2 331.460 1.134 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](O)(c3ccccc3)CC2)CC1 ZINC000377684407 447292450 /nfs/dbraw/zinc/29/24/50/447292450.db2.gz WTVOHFYKBVFSBM-IBGZPJMESA-N 2 2 331.460 1.134 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)n1C ZINC000414392049 447294043 /nfs/dbraw/zinc/29/40/43/447294043.db2.gz LYBDEWLFGGGGCA-GJZGRUSLSA-N 2 2 338.402 1.813 20 0 EDADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000494660333 447454536 /nfs/dbraw/zinc/45/45/36/447454536.db2.gz VUHHOAPAGPWMOI-QLFBSQMISA-N 2 2 328.501 1.514 20 0 EDADLP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C 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1.821 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000495868349 447611022 /nfs/dbraw/zinc/61/10/22/447611022.db2.gz KIAWNLIOFJQQIX-HNNXBMFYSA-N 2 2 341.496 1.821 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407235696 447613620 /nfs/dbraw/zinc/61/36/20/447613620.db2.gz AYSSEFPTKNCVCU-HOTGVXAUSA-N 2 2 330.432 1.065 20 0 EDADLP CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459410859 447656081 /nfs/dbraw/zinc/65/60/81/447656081.db2.gz CWVRRWUDELWPRM-UHFFFAOYSA-N 2 2 336.480 1.701 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030786 447656947 /nfs/dbraw/zinc/65/69/47/447656947.db2.gz UWXNTVQGTUYRHY-CVEARBPZSA-N 2 2 334.464 1.321 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030786 447656951 /nfs/dbraw/zinc/65/69/51/447656951.db2.gz UWXNTVQGTUYRHY-CVEARBPZSA-N 2 2 334.464 1.321 20 0 EDADLP CC(C)(CC[NH3+])NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000422590907 447659836 /nfs/dbraw/zinc/65/98/36/447659836.db2.gz LWQVNMFPLKJTKV-INIZCTEOSA-N 2 2 334.464 1.487 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422639617 447683475 /nfs/dbraw/zinc/68/34/75/447683475.db2.gz TXMQTOKFOQQXFZ-MCIONIFRSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422639617 447683481 /nfs/dbraw/zinc/68/34/81/447683481.db2.gz TXMQTOKFOQQXFZ-MCIONIFRSA-N 2 2 335.448 1.948 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428872515 447719068 /nfs/dbraw/zinc/71/90/68/447719068.db2.gz NULCSQAVOLXZQN-CYBMUJFWSA-N 2 2 336.436 1.865 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428872515 447719073 /nfs/dbraw/zinc/71/90/73/447719073.db2.gz NULCSQAVOLXZQN-CYBMUJFWSA-N 2 2 336.436 1.865 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416945053 447719437 /nfs/dbraw/zinc/71/94/37/447719437.db2.gz VWWDNIGUEANJOR-GDBMZVCRSA-N 2 2 331.464 1.951 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]C1 ZINC000422711372 447724295 /nfs/dbraw/zinc/72/42/95/447724295.db2.gz FVRICZJPZSBERY-WMZOPIPTSA-N 3 2 333.476 1.485 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)CC[NH2+]CC1 ZINC000422718503 447727737 /nfs/dbraw/zinc/72/77/37/447727737.db2.gz PVIPKIXDRLCPES-CVEARBPZSA-N 3 2 327.513 1.874 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCCC[C@H]1C[NH3+])CC2 ZINC000422764726 447744241 /nfs/dbraw/zinc/74/42/41/447744241.db2.gz QAZFQEYEYADLKL-INIZCTEOSA-N 2 2 347.459 1.402 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCCC[C@H]1C[NH3+])CC2 ZINC000422764726 447744247 /nfs/dbraw/zinc/74/42/47/447744247.db2.gz QAZFQEYEYADLKL-INIZCTEOSA-N 2 2 347.459 1.402 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422843040 447766594 /nfs/dbraw/zinc/76/65/94/447766594.db2.gz GUHQENSVZDSCSA-DLBZAZTESA-N 3 2 345.491 1.227 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844111 447767689 /nfs/dbraw/zinc/76/76/89/447767689.db2.gz KWCILSZEZUQESA-SJLPKXTDSA-N 2 2 330.476 1.313 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430542677 447774810 /nfs/dbraw/zinc/77/48/10/447774810.db2.gz CRIZULNXPLGUFW-DZGCQCFKSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430542677 447774814 /nfs/dbraw/zinc/77/48/14/447774814.db2.gz CRIZULNXPLGUFW-DZGCQCFKSA-N 2 2 344.459 1.577 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CCOC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000451896510 447776995 /nfs/dbraw/zinc/77/69/95/447776995.db2.gz GMYRZIJNUHWOCZ-IBGZPJMESA-N 2 2 347.459 1.426 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CCOC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000451896510 447776998 /nfs/dbraw/zinc/77/69/98/447776998.db2.gz GMYRZIJNUHWOCZ-IBGZPJMESA-N 2 2 347.459 1.426 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422944154 447777702 /nfs/dbraw/zinc/77/77/02/447777702.db2.gz ZGXIVTOZUHNFIN-GXTWGEPZSA-N 2 2 346.880 1.470 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000430557536 447778350 /nfs/dbraw/zinc/77/83/50/447778350.db2.gz NVBJVYZAHYYMTA-ZIAGYGMSSA-N 2 2 326.462 1.528 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000430557536 447778355 /nfs/dbraw/zinc/77/83/55/447778355.db2.gz NVBJVYZAHYYMTA-ZIAGYGMSSA-N 2 2 326.462 1.528 20 0 EDADLP c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(OC2CCOCC2)n1 ZINC000422974209 447785067 /nfs/dbraw/zinc/78/50/67/447785067.db2.gz DLQYGBWUGXDJSS-HKUYNNGSSA-N 2 2 347.459 1.496 20 0 EDADLP c1cn2c([nH+]1)C[C@H](Nc1ncnc3c1cnn3-c1cc[nH+]cc1)CC2 ZINC000487495746 447834044 /nfs/dbraw/zinc/83/40/44/447834044.db2.gz AGMBXWWQFBWYFU-GFCCVEGCSA-N 2 2 332.371 1.834 20 0 EDADLP c1cn2c([nH+]1)C[C@H](Nc1[nH+]cnc3c1cnn3-c1cc[nH+]cc1)CC2 ZINC000487495746 447834046 /nfs/dbraw/zinc/83/40/46/447834046.db2.gz AGMBXWWQFBWYFU-GFCCVEGCSA-N 3 2 332.371 1.834 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CC[C@H](n3cccn3)C1)C[NH+]1CCC2CC1 ZINC000496638344 447838484 /nfs/dbraw/zinc/83/84/84/447838484.db2.gz CEVRTLYDEOKSIN-RDJZCZTQSA-N 2 2 331.420 1.004 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CC[C@H](n3cccn3)C1)C[NH+]1CCC2CC1 ZINC000496638344 447838485 /nfs/dbraw/zinc/83/84/85/447838485.db2.gz CEVRTLYDEOKSIN-RDJZCZTQSA-N 2 2 331.420 1.004 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000497115253 447866113 /nfs/dbraw/zinc/86/61/13/447866113.db2.gz JNQRMVURIPKVQN-AWEZNQCLSA-N 2 2 329.485 1.726 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000497115253 447866120 /nfs/dbraw/zinc/86/61/20/447866120.db2.gz JNQRMVURIPKVQN-AWEZNQCLSA-N 2 2 329.485 1.726 20 0 EDADLP CC[NH2+]CC[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496753732 447883053 /nfs/dbraw/zinc/88/30/53/447883053.db2.gz ODGQPCYIQLZZMX-DOTOQJQBSA-N 2 2 335.448 1.612 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000569820578 447899697 /nfs/dbraw/zinc/89/96/97/447899697.db2.gz WQFFYSIURFBLLT-SJORKVTESA-N 2 2 332.448 1.111 20 0 EDADLP CN(C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)[C@@H]1CCCc2ccccc21 ZINC000569826742 447901739 /nfs/dbraw/zinc/90/17/39/447901739.db2.gz NGFFQDJUHFLNLR-SJLPKXTDSA-N 2 2 331.460 1.572 20 0 EDADLP CN(C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)[C@@H]1CCCc2ccccc21 ZINC000569826742 447901742 /nfs/dbraw/zinc/90/17/42/447901742.db2.gz NGFFQDJUHFLNLR-SJLPKXTDSA-N 2 2 331.460 1.572 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000496796883 447920804 /nfs/dbraw/zinc/92/08/04/447920804.db2.gz FQPVKOJEPINBIR-HUUCEWRRSA-N 2 2 329.485 1.678 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000496796883 447920809 /nfs/dbraw/zinc/92/08/09/447920809.db2.gz FQPVKOJEPINBIR-HUUCEWRRSA-N 2 2 329.485 1.678 20 0 EDADLP CCOc1ccc(F)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1F ZINC000570026928 447935283 /nfs/dbraw/zinc/93/52/83/447935283.db2.gz IALPBHLMKMGGPF-JTQLQIEISA-N 2 2 328.363 1.470 20 0 EDADLP CCOc1ccc(F)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1F ZINC000570026928 447935287 /nfs/dbraw/zinc/93/52/87/447935287.db2.gz IALPBHLMKMGGPF-JTQLQIEISA-N 2 2 328.363 1.470 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000576094250 447969496 /nfs/dbraw/zinc/96/94/96/447969496.db2.gz YTEOKJFBYOVDGE-TYILLQQXSA-N 2 2 344.459 1.728 20 0 EDADLP O=S1(=O)NC(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)=Nc2ccccc21 ZINC000570668329 448045679 /nfs/dbraw/zinc/04/56/79/448045679.db2.gz OXFZHZRLZSQBFI-CQSZACIVSA-N 2 2 348.472 1.473 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@H]2C[N@H+](C)CCO2)c1)[NH+]1CCOCC1 ZINC000531293360 448056222 /nfs/dbraw/zinc/05/62/22/448056222.db2.gz HYMYCSOOWBIBPZ-RHSMWYFYSA-N 2 2 333.432 1.349 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1)[NH+]1CCOCC1 ZINC000531293360 448056229 /nfs/dbraw/zinc/05/62/29/448056229.db2.gz HYMYCSOOWBIBPZ-RHSMWYFYSA-N 2 2 333.432 1.349 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)C2 ZINC000526020378 448081386 /nfs/dbraw/zinc/08/13/86/448081386.db2.gz JIUGMCVPFCQBMO-ZDUSSCGKSA-N 2 2 334.464 1.211 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)CC2 ZINC000526020378 448081390 /nfs/dbraw/zinc/08/13/90/448081390.db2.gz JIUGMCVPFCQBMO-ZDUSSCGKSA-N 2 2 334.464 1.211 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CC[C@@H](C[NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000555165373 448065589 /nfs/dbraw/zinc/06/55/89/448065589.db2.gz RVHZWIIGFVYDCJ-DLBZAZTESA-N 2 2 345.491 1.607 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CC[C@@H](C[NH+]4CCCC4)C3)[nH+]cn2)C1 ZINC000555165373 448065593 /nfs/dbraw/zinc/06/55/93/448065593.db2.gz RVHZWIIGFVYDCJ-DLBZAZTESA-N 2 2 345.491 1.607 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC000576880476 448161910 /nfs/dbraw/zinc/16/19/10/448161910.db2.gz USPICOAJIQMWAZ-IAGOWNOFSA-N 2 2 333.480 1.461 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)/C=C\C[NH+](C)C)c2cccs2)CC1 ZINC000491882281 448142892 /nfs/dbraw/zinc/14/28/92/448142892.db2.gz INHVDEKNHKQDQW-IJVDHGTGSA-N 2 2 336.505 1.271 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000576823522 448148485 /nfs/dbraw/zinc/14/84/85/448148485.db2.gz MISKCCJXZZIUMO-SFHVURJKSA-N 2 2 346.431 1.419 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000576823522 448148487 /nfs/dbraw/zinc/14/84/87/448148487.db2.gz MISKCCJXZZIUMO-SFHVURJKSA-N 2 2 346.431 1.419 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)[C@H](C[NH3+])C1 ZINC000571414006 448150343 /nfs/dbraw/zinc/15/03/43/448150343.db2.gz RRMIXXUJSLOHDI-CQSZACIVSA-N 2 2 331.445 1.917 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(-c3nccs3)c2)[C@H](C[NH3+])C1 ZINC000571414006 448150348 /nfs/dbraw/zinc/15/03/48/448150348.db2.gz RRMIXXUJSLOHDI-CQSZACIVSA-N 2 2 331.445 1.917 20 0 EDADLP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000532021825 448184246 /nfs/dbraw/zinc/18/42/46/448184246.db2.gz DYIRYDVXLDBQCR-RHSMWYFYSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000532021825 448184249 /nfs/dbraw/zinc/18/42/49/448184249.db2.gz DYIRYDVXLDBQCR-RHSMWYFYSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N(C)C)nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000532021825 448184251 /nfs/dbraw/zinc/18/42/51/448184251.db2.gz DYIRYDVXLDBQCR-RHSMWYFYSA-N 2 2 340.475 2.569 20 0 EDADLP Cc1nc(N(C)C)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[nH+]1 ZINC000532021825 448184254 /nfs/dbraw/zinc/18/42/54/448184254.db2.gz DYIRYDVXLDBQCR-RHSMWYFYSA-N 2 2 340.475 2.569 20 0 EDADLP c1ccc(Cn2nnnc2C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000571681762 448190063 /nfs/dbraw/zinc/19/00/63/448190063.db2.gz DGVCCQHOGWYGRO-KRWDZBQOSA-N 2 2 326.448 1.543 20 0 EDADLP CCCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[NH2+]C1 ZINC000571745074 448196991 /nfs/dbraw/zinc/19/69/91/448196991.db2.gz JNSYTDUEHNJPNQ-MRXNPFEDSA-N 2 2 331.464 1.834 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](CO)[C@H]3CCOC3)c2cc1C ZINC000514789684 448204270 /nfs/dbraw/zinc/20/42/70/448204270.db2.gz DQULOCQPBOYTCL-YESZJQIVSA-N 2 2 347.459 1.249 20 0 EDADLP C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000556842821 448165755 /nfs/dbraw/zinc/16/57/55/448165755.db2.gz NLAJTMUDOKLNKB-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)cs1 ZINC000514599590 448168857 /nfs/dbraw/zinc/16/88/57/448168857.db2.gz HMQJECRLVVNIBG-MRXNPFEDSA-N 2 2 348.516 1.876 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)cs1 ZINC000514599590 448168862 /nfs/dbraw/zinc/16/88/62/448168862.db2.gz HMQJECRLVVNIBG-MRXNPFEDSA-N 2 2 348.516 1.876 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cl ZINC000577160840 448220787 /nfs/dbraw/zinc/22/07/87/448220787.db2.gz SHWCBXRRSUYOKF-UHFFFAOYSA-N 2 2 343.880 1.704 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000577164732 448221962 /nfs/dbraw/zinc/22/19/62/448221962.db2.gz YXZNUYCACNSBNH-RISCZKNCSA-N 2 2 326.391 1.619 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)[C@@H](C[NH3+])C1 ZINC000577355861 448272088 /nfs/dbraw/zinc/27/20/88/448272088.db2.gz FWZVJDOZLCAPKG-LRDDRELGSA-N 2 2 338.402 1.627 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)[C@@H](C[NH3+])C1 ZINC000577355861 448272090 /nfs/dbraw/zinc/27/20/90/448272090.db2.gz FWZVJDOZLCAPKG-LRDDRELGSA-N 2 2 338.402 1.627 20 0 EDADLP CN(CC(F)(F)F)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000515062928 448254100 /nfs/dbraw/zinc/25/41/00/448254100.db2.gz NJXHQALGMCHZOS-AWEZNQCLSA-N 2 2 340.349 1.822 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000591080471 448256488 /nfs/dbraw/zinc/25/64/88/448256488.db2.gz JNAPQRPDQNENNO-GOSISDBHSA-N 2 2 331.460 1.870 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000591080471 448256491 /nfs/dbraw/zinc/25/64/91/448256491.db2.gz JNAPQRPDQNENNO-GOSISDBHSA-N 2 2 331.460 1.870 20 0 EDADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCOCC1 ZINC000572309866 448342633 /nfs/dbraw/zinc/34/26/33/448342633.db2.gz GTCINAPYUSDBLK-FBVQUNGASA-N 2 2 337.508 1.865 20 0 EDADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCOCC1 ZINC000572309866 448342638 /nfs/dbraw/zinc/34/26/38/448342638.db2.gz GTCINAPYUSDBLK-FBVQUNGASA-N 2 2 337.508 1.865 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(Cc3cnn(C)c3)CC2)cc1 ZINC000577637861 448348254 /nfs/dbraw/zinc/34/82/54/448348254.db2.gz IHGFRZYCYCELHT-GOSISDBHSA-N 2 2 343.475 1.289 20 0 EDADLP COc1ccc([C@H](C[NH3+])CN2CC[NH+](Cc3cnn(C)c3)CC2)cc1 ZINC000577637861 448348255 /nfs/dbraw/zinc/34/82/55/448348255.db2.gz IHGFRZYCYCELHT-GOSISDBHSA-N 2 2 343.475 1.289 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000591409572 448353936 /nfs/dbraw/zinc/35/39/36/448353936.db2.gz UCDMTKWMGFITPQ-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000591409572 448353943 /nfs/dbraw/zinc/35/39/43/448353943.db2.gz UCDMTKWMGFITPQ-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000591409572 448353947 /nfs/dbraw/zinc/35/39/47/448353947.db2.gz UCDMTKWMGFITPQ-BPQIPLTHSA-N 2 2 346.475 1.452 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000572290381 448337439 /nfs/dbraw/zinc/33/74/39/448337439.db2.gz PYKMTTMHIYRJKJ-AEFFLSMTSA-N 2 2 345.491 1.074 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000572290381 448337442 /nfs/dbraw/zinc/33/74/42/448337442.db2.gz PYKMTTMHIYRJKJ-AEFFLSMTSA-N 2 2 345.491 1.074 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000582952041 448387577 /nfs/dbraw/zinc/38/75/77/448387577.db2.gz DPBVMIMJDDUJBY-MRXNPFEDSA-N 2 2 347.463 1.275 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000582952041 448387580 /nfs/dbraw/zinc/38/75/80/448387580.db2.gz DPBVMIMJDDUJBY-MRXNPFEDSA-N 2 2 347.463 1.275 20 0 EDADLP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(S(C)(=O)=O)c1 ZINC000516241972 448401531 /nfs/dbraw/zinc/40/15/31/448401531.db2.gz GAROSJMUVMAIBP-UHFFFAOYSA-N 2 2 327.494 1.015 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@H]2CC[NH2+][C@@H]2C)c2[nH+]ccn2C)cc1 ZINC000566171742 448404572 /nfs/dbraw/zinc/40/45/72/448404572.db2.gz ZGVNAFZYCINYTA-KCXAZCMYSA-N 2 2 328.416 1.632 20 0 EDADLP [NH3+][C@H](C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cscn1 ZINC000566171900 448404811 /nfs/dbraw/zinc/40/48/11/448404811.db2.gz AEFRXGDVFDARND-HNNXBMFYSA-N 2 2 332.429 1.614 20 0 EDADLP CC[NH2+]CCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000572585466 448413635 /nfs/dbraw/zinc/41/36/35/448413635.db2.gz PPTXKNYFYLVLHB-GASCZTMLSA-N 2 2 349.479 1.494 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000583079192 448418145 /nfs/dbraw/zinc/41/81/45/448418145.db2.gz LWBAOIUFQWBEFZ-HXUWFJFHSA-N 3 2 347.503 1.188 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000583079192 448418151 /nfs/dbraw/zinc/41/81/51/448418151.db2.gz LWBAOIUFQWBEFZ-HXUWFJFHSA-N 3 2 347.503 1.188 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2OC(F)(F)F)[C@H](C[NH3+])C1 ZINC000493141669 448374542 /nfs/dbraw/zinc/37/45/42/448374542.db2.gz RZVYZXVEKDSUSG-FMFIFOJESA-N 2 2 343.349 1.700 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccccc2OC(F)(F)F)[C@H](C[NH3+])C1 ZINC000493141669 448374548 /nfs/dbraw/zinc/37/45/48/448374548.db2.gz RZVYZXVEKDSUSG-FMFIFOJESA-N 2 2 343.349 1.700 20 0 EDADLP CC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000578047268 448448470 /nfs/dbraw/zinc/44/84/70/448448470.db2.gz PACJMVYHHJBUKR-GFCCVEGCSA-N 2 2 339.827 1.405 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000578063839 448451305 /nfs/dbraw/zinc/45/13/05/448451305.db2.gz AXWNQEOLEODCGG-BOFPYLFWSA-N 2 2 332.444 1.701 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000578063839 448451308 /nfs/dbraw/zinc/45/13/08/448451308.db2.gz AXWNQEOLEODCGG-BOFPYLFWSA-N 2 2 332.444 1.701 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NCC1CC[NH2+]CC1 ZINC000516747801 448467462 /nfs/dbraw/zinc/46/74/62/448467462.db2.gz QLEXAMPJMPMCIK-UHFFFAOYSA-N 2 2 331.464 1.871 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000578130406 448468416 /nfs/dbraw/zinc/46/84/16/448468416.db2.gz JKBSMEFQJKBFGN-CHWSQXEVSA-N 2 2 325.482 1.486 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000578130406 448468418 /nfs/dbraw/zinc/46/84/18/448468418.db2.gz JKBSMEFQJKBFGN-CHWSQXEVSA-N 2 2 325.482 1.486 20 0 EDADLP COc1cc(Cl)ccc1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578186811 448478663 /nfs/dbraw/zinc/47/86/63/448478663.db2.gz CLTCEULJHUNSOI-DVOMOZLQSA-N 2 2 342.867 1.908 20 0 EDADLP COc1cc(Cl)ccc1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578186811 448478665 /nfs/dbraw/zinc/47/86/65/448478665.db2.gz CLTCEULJHUNSOI-DVOMOZLQSA-N 2 2 342.867 1.908 20 0 EDADLP Cc1[nH+]cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000566498904 448493518 /nfs/dbraw/zinc/49/35/18/448493518.db2.gz JFKQCTSORNGSLU-HKUYNNGSSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1[nH+]cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1C ZINC000566498904 448493521 /nfs/dbraw/zinc/49/35/21/448493521.db2.gz JFKQCTSORNGSLU-HKUYNNGSSA-N 2 2 328.460 1.701 20 0 EDADLP c1cc(-c2noc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)n2)co1 ZINC000591809644 448495207 /nfs/dbraw/zinc/49/52/07/448495207.db2.gz QMUSFUXWZLRSCY-UHFFFAOYSA-N 2 2 332.404 1.874 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528376990 448504276 /nfs/dbraw/zinc/50/42/76/448504276.db2.gz CURKUNNUWFGRQM-SFHVURJKSA-N 2 2 335.467 1.920 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528376990 448504279 /nfs/dbraw/zinc/50/42/79/448504279.db2.gz CURKUNNUWFGRQM-SFHVURJKSA-N 2 2 335.467 1.920 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000591864625 448507376 /nfs/dbraw/zinc/50/73/76/448507376.db2.gz XBJZVZOPOAOXML-LSDHHAIUSA-N 2 2 331.464 1.582 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000591864625 448507381 /nfs/dbraw/zinc/50/73/81/448507381.db2.gz XBJZVZOPOAOXML-LSDHHAIUSA-N 2 2 331.464 1.582 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]cn2)C1 ZINC000591864625 448507386 /nfs/dbraw/zinc/50/73/86/448507386.db2.gz XBJZVZOPOAOXML-LSDHHAIUSA-N 2 2 331.464 1.582 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)[nH+]cn2)C1 ZINC000591864625 448507393 /nfs/dbraw/zinc/50/73/93/448507393.db2.gz XBJZVZOPOAOXML-LSDHHAIUSA-N 2 2 331.464 1.582 20 0 EDADLP O=C(CC[NH2+]CC[NH+]1CCC(O)CC1)Nc1cc(F)cc(F)c1 ZINC000584412685 448518238 /nfs/dbraw/zinc/51/82/38/448518238.db2.gz WTLZQEIKSQVJLN-UHFFFAOYSA-N 2 2 327.375 1.340 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1coc(S(C)(=O)=O)c1 ZINC000528423467 448523604 /nfs/dbraw/zinc/52/36/04/448523604.db2.gz MNEHPBRHGIENHO-UHFFFAOYSA-N 2 2 343.493 1.141 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1coc(S(C)(=O)=O)c1 ZINC000528423467 448523608 /nfs/dbraw/zinc/52/36/08/448523608.db2.gz MNEHPBRHGIENHO-UHFFFAOYSA-N 2 2 343.493 1.141 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000578352165 448526538 /nfs/dbraw/zinc/52/65/38/448526538.db2.gz FNGMRZSFSODHAI-INIZCTEOSA-N 2 2 325.416 1.872 20 0 EDADLP Cc1cccn2cc(CC(=O)NC(C)(C)C[NH+]3CCOCC3)[nH+]c12 ZINC000566843285 448568298 /nfs/dbraw/zinc/56/82/98/448568298.db2.gz QODMNMJUDSOBIF-UHFFFAOYSA-N 2 2 330.432 1.412 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC000517099466 448539001 /nfs/dbraw/zinc/53/90/01/448539001.db2.gz AOOOBXPEEMDFLK-AEFFLSMTSA-N 2 2 333.476 1.906 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC000517099466 448539004 /nfs/dbraw/zinc/53/90/04/448539004.db2.gz AOOOBXPEEMDFLK-AEFFLSMTSA-N 2 2 333.476 1.906 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000584731303 448614417 /nfs/dbraw/zinc/61/44/17/448614417.db2.gz VGARSUAKSBPRHQ-UHFFFAOYSA-N 2 2 328.460 1.868 20 0 EDADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1O ZINC000573411378 448617707 /nfs/dbraw/zinc/61/77/07/448617707.db2.gz INRCKUQNFVOVGJ-HNNXBMFYSA-N 2 2 337.489 1.095 20 0 EDADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1O ZINC000573411378 448617709 /nfs/dbraw/zinc/61/77/09/448617709.db2.gz INRCKUQNFVOVGJ-HNNXBMFYSA-N 2 2 337.489 1.095 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000539807951 448624365 /nfs/dbraw/zinc/62/43/65/448624365.db2.gz XRRWURRTMUMAIF-UHFFFAOYSA-N 2 2 342.447 1.025 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)C2)C1 ZINC000584772360 448625474 /nfs/dbraw/zinc/62/54/74/448625474.db2.gz OAPVOVXGZAEQAX-QGZVFWFLSA-N 2 2 326.404 1.220 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)C2)C1 ZINC000584772360 448625479 /nfs/dbraw/zinc/62/54/79/448625479.db2.gz OAPVOVXGZAEQAX-QGZVFWFLSA-N 2 2 326.404 1.220 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000540882500 448647938 /nfs/dbraw/zinc/64/79/38/448647938.db2.gz XCWVNDOIEUKMDF-UHFFFAOYSA-N 2 2 347.507 1.296 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000540882500 448647943 /nfs/dbraw/zinc/64/79/43/448647943.db2.gz XCWVNDOIEUKMDF-UHFFFAOYSA-N 2 2 347.507 1.296 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCC[N@H+](CCOC)C1 ZINC000592105934 448687900 /nfs/dbraw/zinc/68/79/00/448687900.db2.gz ZWMWFHRIPJFAQG-HNNXBMFYSA-N 2 2 344.459 1.826 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000592105934 448687906 /nfs/dbraw/zinc/68/79/06/448687906.db2.gz ZWMWFHRIPJFAQG-HNNXBMFYSA-N 2 2 344.459 1.826 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCCn1cc[nH+]c1 ZINC000579038171 448700258 /nfs/dbraw/zinc/70/02/58/448700258.db2.gz FBYVBWDPIMXJKS-JKSUJKDBSA-N 2 2 335.452 1.168 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC[NH2+]1 ZINC000573819648 448723390 /nfs/dbraw/zinc/72/33/90/448723390.db2.gz BLRGGCLJTAWCQY-WBVHZDCISA-N 2 2 332.448 1.063 20 0 EDADLP COC(=O)c1ccc(Cl)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579212440 448741117 /nfs/dbraw/zinc/74/11/17/448741117.db2.gz MWFHEYXKKHZRJG-NSHDSACASA-N 2 2 340.811 1.233 20 0 EDADLP COC(=O)c1ccc(Cl)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579212440 448741122 /nfs/dbraw/zinc/74/11/22/448741122.db2.gz MWFHEYXKKHZRJG-NSHDSACASA-N 2 2 340.811 1.233 20 0 EDADLP C/C=C/c1ccc(OC[C@H](O)C[NH2+]CCn2cc[nH+]c2)c(OC)c1 ZINC000573914040 448744268 /nfs/dbraw/zinc/74/42/68/448744268.db2.gz POOWDEDECFBCFI-QDLOVBKTSA-N 2 2 331.416 1.954 20 0 EDADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NC1CC[NH2+]CC1 ZINC000567714746 448746295 /nfs/dbraw/zinc/74/62/95/448746295.db2.gz XAGWBUQVDXXKQE-AWEZNQCLSA-N 2 2 338.477 1.173 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)c1 ZINC000579471173 448801970 /nfs/dbraw/zinc/80/19/70/448801970.db2.gz LFPXYABHUXUSIP-QAPCUYQASA-N 2 2 347.459 1.216 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@H]12 ZINC000574060098 448783276 /nfs/dbraw/zinc/78/32/76/448783276.db2.gz SSNMANBRZHNGLK-HYVNUMGLSA-N 2 2 325.416 1.751 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529329737 448828357 /nfs/dbraw/zinc/82/83/57/448828357.db2.gz ZXFYCRYTRUNVGC-CABCVRRESA-N 2 2 347.463 1.067 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529329737 448828363 /nfs/dbraw/zinc/82/83/63/448828363.db2.gz ZXFYCRYTRUNVGC-CABCVRRESA-N 2 2 347.463 1.067 20 0 EDADLP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519778036 448841806 /nfs/dbraw/zinc/84/18/06/448841806.db2.gz PYYNYMCNXDNRQE-CHWSQXEVSA-N 2 2 332.429 1.455 20 0 EDADLP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000519778036 448841810 /nfs/dbraw/zinc/84/18/10/448841810.db2.gz PYYNYMCNXDNRQE-CHWSQXEVSA-N 2 2 332.429 1.455 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000529367717 448843202 /nfs/dbraw/zinc/84/32/02/448843202.db2.gz QDIGPVVQKJPTBQ-HUUCEWRRSA-N 2 2 348.495 2.232 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000574331831 448847683 /nfs/dbraw/zinc/84/76/83/448847683.db2.gz JYBYHDOZCBOGCQ-KRWDZBQOSA-N 2 2 326.387 1.830 20 0 EDADLP COc1c(F)cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC)c1F ZINC000579688611 448852568 /nfs/dbraw/zinc/85/25/68/448852568.db2.gz VUSYWFOPDDYBPE-SECBINFHSA-N 2 2 344.362 1.089 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccccc2F)C1=O)C1CC1 ZINC000579702446 448856873 /nfs/dbraw/zinc/85/68/73/448856873.db2.gz UYKUNTZVUSGKPP-HOCLYGCPSA-N 2 2 335.423 1.366 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccccc2F)C1=O)C1CC1 ZINC000579702446 448856874 /nfs/dbraw/zinc/85/68/74/448856874.db2.gz UYKUNTZVUSGKPP-HOCLYGCPSA-N 2 2 335.423 1.366 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CCCCC1 ZINC000588084785 448868210 /nfs/dbraw/zinc/86/82/10/448868210.db2.gz VEGXLYUGHKXZQT-INIZCTEOSA-N 2 2 342.447 1.903 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000520218999 448872715 /nfs/dbraw/zinc/87/27/15/448872715.db2.gz LZHKESMZVKPSAF-MOPGFXCFSA-N 2 2 348.487 1.797 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000520218999 448872720 /nfs/dbraw/zinc/87/27/20/448872720.db2.gz LZHKESMZVKPSAF-MOPGFXCFSA-N 2 2 348.487 1.797 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000568371882 448862010 /nfs/dbraw/zinc/86/20/10/448862010.db2.gz HVQXWDKNBOXYSW-VNQPRFMTSA-N 2 2 327.432 1.807 20 0 EDADLP C[N@@H+]1CCN(Cc2cc3c(cc2Br)OCO3)[C@H](C[NH3+])C1 ZINC000568632110 448899933 /nfs/dbraw/zinc/89/99/33/448899933.db2.gz IWTHOEORNJGYFB-LLVKDONJSA-N 2 2 342.237 1.253 20 0 EDADLP C[N@H+]1CCN(Cc2cc3c(cc2Br)OCO3)[C@H](C[NH3+])C1 ZINC000568632110 448899938 /nfs/dbraw/zinc/89/99/38/448899938.db2.gz IWTHOEORNJGYFB-LLVKDONJSA-N 2 2 342.237 1.253 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H](c2ccccc2)C1 ZINC000520748334 448926451 /nfs/dbraw/zinc/92/64/51/448926451.db2.gz OHEUNDSFBGHPQN-KRWDZBQOSA-N 2 2 348.410 1.791 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H](c2ccccc2)C1 ZINC000520748334 448926455 /nfs/dbraw/zinc/92/64/55/448926455.db2.gz OHEUNDSFBGHPQN-KRWDZBQOSA-N 2 2 348.410 1.791 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1F ZINC000520379432 448890328 /nfs/dbraw/zinc/89/03/28/448890328.db2.gz WWLFFUCIGGNROD-OAHLLOKOSA-N 2 2 346.410 1.460 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1F ZINC000520379432 448890332 /nfs/dbraw/zinc/89/03/32/448890332.db2.gz WWLFFUCIGGNROD-OAHLLOKOSA-N 2 2 346.410 1.460 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000520404275 448893830 /nfs/dbraw/zinc/89/38/30/448893830.db2.gz ZCKXPMUPTLEOQR-ZDUSSCGKSA-N 2 2 345.365 1.619 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000520404275 448893836 /nfs/dbraw/zinc/89/38/36/448893836.db2.gz ZCKXPMUPTLEOQR-ZDUSSCGKSA-N 2 2 345.365 1.619 20 0 EDADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000574803628 448959366 /nfs/dbraw/zinc/95/93/66/448959366.db2.gz OIOHMRQLMVVWFH-OAHLLOKOSA-N 2 2 333.480 1.509 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548005281 448963412 /nfs/dbraw/zinc/96/34/12/448963412.db2.gz BKYFUKOWESCBJE-MRXNPFEDSA-N 2 2 333.480 1.961 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1)N1CC[NH+](C)CC1 ZINC000574723900 448940604 /nfs/dbraw/zinc/94/06/04/448940604.db2.gz MRHZIBQDZAPFTB-AWEZNQCLSA-N 2 2 341.459 1.875 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000575046216 449021141 /nfs/dbraw/zinc/02/11/41/449021141.db2.gz GYHKINIKUFJBBM-VXGBXAGGSA-N 2 2 337.247 1.245 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000521519126 448992333 /nfs/dbraw/zinc/99/23/33/448992333.db2.gz FVLQKOBARCWQLX-ZBFHGGJFSA-N 2 2 349.479 1.084 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000521519126 448992338 /nfs/dbraw/zinc/99/23/38/448992338.db2.gz FVLQKOBARCWQLX-ZBFHGGJFSA-N 2 2 349.479 1.084 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000575354481 449084165 /nfs/dbraw/zinc/08/41/65/449084165.db2.gz UOBVBDGTMZMPQP-CYBMUJFWSA-N 2 2 342.390 1.115 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000575354481 449084170 /nfs/dbraw/zinc/08/41/70/449084170.db2.gz UOBVBDGTMZMPQP-CYBMUJFWSA-N 2 2 342.390 1.115 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000522022099 449044225 /nfs/dbraw/zinc/04/42/25/449044225.db2.gz MUXPPUQNIYMTRJ-RDJZCZTQSA-N 2 2 334.464 1.227 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000569589662 449051933 /nfs/dbraw/zinc/05/19/33/449051933.db2.gz PNSDOHOCMFVKMS-DLBZAZTESA-N 2 2 330.476 1.732 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000569589662 449051935 /nfs/dbraw/zinc/05/19/35/449051935.db2.gz PNSDOHOCMFVKMS-DLBZAZTESA-N 2 2 330.476 1.732 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000530222139 449086585 /nfs/dbraw/zinc/08/65/85/449086585.db2.gz QITDOPWIFGIPRI-CZUORRHYSA-N 2 2 337.489 1.872 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530234053 449089164 /nfs/dbraw/zinc/08/91/64/449089164.db2.gz LWXVKPXFHQJNCD-XIRDDKMYSA-N 2 2 328.416 1.250 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000530234053 449089168 /nfs/dbraw/zinc/08/91/68/449089168.db2.gz LWXVKPXFHQJNCD-XIRDDKMYSA-N 2 2 328.416 1.250 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N(CC3CC3)CC3CC3)C2)CC1 ZINC000604656708 449271215 /nfs/dbraw/zinc/27/12/15/449271215.db2.gz KRVPUAMYFLMYBI-QGZVFWFLSA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N(CC3CC3)CC3CC3)C2)CC1 ZINC000604656708 449271218 /nfs/dbraw/zinc/27/12/18/449271218.db2.gz KRVPUAMYFLMYBI-QGZVFWFLSA-N 2 2 334.508 1.987 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000593964847 449307156 /nfs/dbraw/zinc/30/71/56/449307156.db2.gz DLAZMQLMTGVHON-OAHLLOKOSA-N 2 2 340.431 1.753 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000602108677 449352536 /nfs/dbraw/zinc/35/25/36/449352536.db2.gz RBVHWFMUNMZCIW-AWEZNQCLSA-N 2 2 336.436 1.102 20 0 EDADLP CC(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602206184 449432987 /nfs/dbraw/zinc/43/29/87/449432987.db2.gz VKIJVGQZJBJTOC-QGZVFWFLSA-N 2 2 344.459 1.543 20 0 EDADLP CC(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602206184 449432994 /nfs/dbraw/zinc/43/29/94/449432994.db2.gz VKIJVGQZJBJTOC-QGZVFWFLSA-N 2 2 344.459 1.543 20 0 EDADLP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000617109815 449462582 /nfs/dbraw/zinc/46/25/82/449462582.db2.gz ZTUHJTLFJHOSOL-MRXNPFEDSA-N 2 2 346.475 1.453 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606582184 449490031 /nfs/dbraw/zinc/49/00/31/449490031.db2.gz GHFPSFJOEQDLBO-UHFFFAOYSA-N 2 2 330.436 1.483 20 0 EDADLP CCSC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000596515773 449536943 /nfs/dbraw/zinc/53/69/43/449536943.db2.gz YFFJHOYRXZRCRZ-UHFFFAOYSA-N 2 2 328.526 1.597 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000606664656 449501811 /nfs/dbraw/zinc/50/18/11/449501811.db2.gz RFTZHPXEPUUNHC-AWEZNQCLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000606664656 449501814 /nfs/dbraw/zinc/50/18/14/449501814.db2.gz RFTZHPXEPUUNHC-AWEZNQCLSA-N 2 2 326.485 1.127 20 0 EDADLP COC(=O)c1cnc(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)s1 ZINC000600722596 449518210 /nfs/dbraw/zinc/51/82/10/449518210.db2.gz IWJKFIZVFLYIOY-LBPRGKRZSA-N 2 2 325.434 1.098 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600734131 449523812 /nfs/dbraw/zinc/52/38/12/449523812.db2.gz AYIZUBHPQBVUDM-SWKXRBFHSA-N 2 2 326.481 1.933 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600734131 449523818 /nfs/dbraw/zinc/52/38/18/449523818.db2.gz AYIZUBHPQBVUDM-SWKXRBFHSA-N 2 2 326.481 1.933 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)CCN2C1=O ZINC000594737071 449658811 /nfs/dbraw/zinc/65/88/11/449658811.db2.gz YHKGUFYGFHQYOX-GJZGRUSLSA-N 2 2 328.441 1.554 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)CCN2C1=O ZINC000594737071 449658812 /nfs/dbraw/zinc/65/88/12/449658812.db2.gz YHKGUFYGFHQYOX-GJZGRUSLSA-N 2 2 328.441 1.554 20 0 EDADLP CCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OCC ZINC000594738153 449658868 /nfs/dbraw/zinc/65/88/68/449658868.db2.gz AYRWPVDIHPLXOV-HZPDHXFCSA-N 2 2 347.459 1.618 20 0 EDADLP CCCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OCC ZINC000594738153 449658872 /nfs/dbraw/zinc/65/88/72/449658872.db2.gz AYRWPVDIHPLXOV-HZPDHXFCSA-N 2 2 347.459 1.618 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000607927672 449670906 /nfs/dbraw/zinc/67/09/06/449670906.db2.gz XTWPPTGTGGQXSF-UHFFFAOYSA-N 2 2 328.420 1.514 20 0 EDADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000602563037 449675526 /nfs/dbraw/zinc/67/55/26/449675526.db2.gz DBUCZRNNBWDHEH-DMPWYTOCSA-N 2 2 330.538 1.891 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)on1 ZINC000602516916 449643901 /nfs/dbraw/zinc/64/39/01/449643901.db2.gz TULUIDLCCAWUGT-UHFFFAOYSA-N 2 2 330.388 1.610 20 0 EDADLP COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602638587 449721544 /nfs/dbraw/zinc/72/15/44/449721544.db2.gz QOBILXFDFKOOFX-OAHLLOKOSA-N 2 2 336.432 1.391 20 0 EDADLP COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602638587 449721553 /nfs/dbraw/zinc/72/15/53/449721553.db2.gz QOBILXFDFKOOFX-OAHLLOKOSA-N 2 2 336.432 1.391 20 0 EDADLP CN(C(=O)CCC1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608133128 449761420 /nfs/dbraw/zinc/76/14/20/449761420.db2.gz CEPIWXQTSWMYLU-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP CN(C(=O)CCC1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608133128 449761425 /nfs/dbraw/zinc/76/14/25/449761425.db2.gz CEPIWXQTSWMYLU-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000617720311 449770376 /nfs/dbraw/zinc/77/03/76/449770376.db2.gz AWGYBBXNVXGZQM-UONOGXRCSA-N 2 2 329.404 1.106 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)CO1 ZINC000617720311 449770382 /nfs/dbraw/zinc/77/03/82/449770382.db2.gz AWGYBBXNVXGZQM-UONOGXRCSA-N 2 2 329.404 1.106 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000608358636 449817793 /nfs/dbraw/zinc/81/77/93/449817793.db2.gz MJQXCJPYJFHNNP-INIZCTEOSA-N 2 2 334.464 1.909 20 0 EDADLP Cn1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1-c1ccccc1 ZINC000617765189 449827008 /nfs/dbraw/zinc/82/70/08/449827008.db2.gz WUNAKLNKJSEHHU-UHFFFAOYSA-N 2 2 343.475 1.700 20 0 EDADLP Cn1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1-c1ccccc1 ZINC000617765189 449827015 /nfs/dbraw/zinc/82/70/15/449827015.db2.gz WUNAKLNKJSEHHU-UHFFFAOYSA-N 2 2 343.475 1.700 20 0 EDADLP C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768060 449832946 /nfs/dbraw/zinc/83/29/46/449832946.db2.gz NPSNICUNYRTIJC-WMLDXEAASA-N 2 2 335.448 1.215 20 0 EDADLP C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768060 449832951 /nfs/dbraw/zinc/83/29/51/449832951.db2.gz NPSNICUNYRTIJC-WMLDXEAASA-N 2 2 335.448 1.215 20 0 EDADLP COC(=O)c1coc([C@H](C)[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000601326027 449833698 /nfs/dbraw/zinc/83/36/98/449833698.db2.gz QIUKPGSDVMJEEX-NJZAAPMLSA-N 2 2 337.420 1.741 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)CO1 ZINC000617731214 449792317 /nfs/dbraw/zinc/79/23/17/449792317.db2.gz WXRHQLXMQLXOLF-GVDBMIGSSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)CO1 ZINC000617731214 449792325 /nfs/dbraw/zinc/79/23/25/449792325.db2.gz WXRHQLXMQLXOLF-GVDBMIGSSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](C)CO1 ZINC000617731214 449792332 /nfs/dbraw/zinc/79/23/32/449792332.db2.gz WXRHQLXMQLXOLF-GVDBMIGSSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](C)CO1 ZINC000617731214 449792338 /nfs/dbraw/zinc/79/23/38/449792338.db2.gz WXRHQLXMQLXOLF-GVDBMIGSSA-N 2 2 337.508 1.866 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614929859 449883257 /nfs/dbraw/zinc/88/32/57/449883257.db2.gz WDUAVKVMPLZLNO-MRXNPFEDSA-N 2 2 341.459 1.890 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614929859 449883260 /nfs/dbraw/zinc/88/32/60/449883260.db2.gz WDUAVKVMPLZLNO-MRXNPFEDSA-N 2 2 341.459 1.890 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614929859 449883263 /nfs/dbraw/zinc/88/32/63/449883263.db2.gz WDUAVKVMPLZLNO-MRXNPFEDSA-N 2 2 341.459 1.890 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614929859 449883265 /nfs/dbraw/zinc/88/32/65/449883265.db2.gz WDUAVKVMPLZLNO-MRXNPFEDSA-N 2 2 341.459 1.890 20 0 EDADLP COC(=O)c1oc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000602989684 449985726 /nfs/dbraw/zinc/98/57/26/449985726.db2.gz ZERNLGBMZUBPLZ-CYBMUJFWSA-N 2 2 337.420 1.141 20 0 EDADLP COC(=O)c1oc([C@@H](C)[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000602989684 449985734 /nfs/dbraw/zinc/98/57/34/449985734.db2.gz ZERNLGBMZUBPLZ-CYBMUJFWSA-N 2 2 337.420 1.141 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599556129 450057720 /nfs/dbraw/zinc/05/77/20/450057720.db2.gz DMTAJAAQRYCDPM-CYBMUJFWSA-N 2 2 341.477 1.422 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599556129 450057723 /nfs/dbraw/zinc/05/77/23/450057723.db2.gz DMTAJAAQRYCDPM-CYBMUJFWSA-N 2 2 341.477 1.422 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000622676698 450275289 /nfs/dbraw/zinc/27/52/89/450275289.db2.gz HPYIDVLOPRUVTQ-KRWDZBQOSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000622676698 450275293 /nfs/dbraw/zinc/27/52/93/450275293.db2.gz HPYIDVLOPRUVTQ-KRWDZBQOSA-N 2 2 347.507 1.573 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000618547840 450237738 /nfs/dbraw/zinc/23/77/38/450237738.db2.gz FUQLPAQBZJMKNF-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000618547840 450237744 /nfs/dbraw/zinc/23/77/44/450237744.db2.gz FUQLPAQBZJMKNF-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000618547840 450237748 /nfs/dbraw/zinc/23/77/48/450237748.db2.gz FUQLPAQBZJMKNF-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000618547840 450237754 /nfs/dbraw/zinc/23/77/54/450237754.db2.gz FUQLPAQBZJMKNF-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[N@H+](C)C3)c[nH+]2)CCO1 ZINC000618552118 450240504 /nfs/dbraw/zinc/24/05/04/450240504.db2.gz DKVOJJQFRHXGNM-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N[C@H]3CCC[N@@H+](C)C3)c[nH+]2)CCO1 ZINC000618552118 450240512 /nfs/dbraw/zinc/24/05/12/450240512.db2.gz DKVOJJQFRHXGNM-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)n1cc[nH+]c1 ZINC000619966279 450385219 /nfs/dbraw/zinc/38/52/19/450385219.db2.gz HDGACUGFMHXEBG-ARFHVFGLSA-N 2 2 332.448 1.594 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619887159 450355297 /nfs/dbraw/zinc/35/52/97/450355297.db2.gz GLDHPJTWTJOIET-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CCCC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619887159 450355299 /nfs/dbraw/zinc/35/52/99/450355299.db2.gz GLDHPJTWTJOIET-LJQANCHMSA-N 2 2 349.519 1.964 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000625436584 450359092 /nfs/dbraw/zinc/35/90/92/450359092.db2.gz KAPHSJWZUSUGOE-UHFFFAOYSA-N 2 2 347.806 1.549 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCc3[nH+]c[nH]c3C2)cc1Cl ZINC000625436584 450359099 /nfs/dbraw/zinc/35/90/99/450359099.db2.gz KAPHSJWZUSUGOE-UHFFFAOYSA-N 2 2 347.806 1.549 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)CC2 ZINC000625462146 450375514 /nfs/dbraw/zinc/37/55/14/450375514.db2.gz RHCGAFRIFWXHPZ-IAGOWNOFSA-N 2 2 346.475 1.467 20 0 EDADLP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)c1[nH+]ccn1C ZINC000620600880 450519272 /nfs/dbraw/zinc/51/92/72/450519272.db2.gz RGAXVGDJOZPJGA-OAHLLOKOSA-N 2 2 341.459 1.659 20 0 EDADLP C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000620600885 450519656 /nfs/dbraw/zinc/51/96/56/450519656.db2.gz RGRXPMXSZSZTLP-KDOFPFPSSA-N 2 2 328.416 1.234 20 0 EDADLP C[C@@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000620600885 450519659 /nfs/dbraw/zinc/51/96/59/450519659.db2.gz RGRXPMXSZSZTLP-KDOFPFPSSA-N 2 2 328.416 1.234 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000620772922 450542258 /nfs/dbraw/zinc/54/22/58/450542258.db2.gz QNXYJDSPXBNLNT-DLBZAZTESA-N 2 2 333.501 1.814 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000620772922 450542260 /nfs/dbraw/zinc/54/22/60/450542260.db2.gz QNXYJDSPXBNLNT-DLBZAZTESA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000620772922 450542263 /nfs/dbraw/zinc/54/22/63/450542263.db2.gz QNXYJDSPXBNLNT-DLBZAZTESA-N 2 2 333.501 1.814 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1CCSC1 ZINC000620772922 450542265 /nfs/dbraw/zinc/54/22/65/450542265.db2.gz QNXYJDSPXBNLNT-DLBZAZTESA-N 2 2 333.501 1.814 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620932758 450564400 /nfs/dbraw/zinc/56/44/00/450564400.db2.gz GZFYAPNHJXLNCW-SFHVURJKSA-N 2 2 337.508 1.726 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000620932758 450564403 /nfs/dbraw/zinc/56/44/03/450564403.db2.gz GZFYAPNHJXLNCW-SFHVURJKSA-N 2 2 337.508 1.726 20 0 EDADLP Cc1cc(NCCNC(=O)NC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC000623705380 450568673 /nfs/dbraw/zinc/56/86/73/450568673.db2.gz VHGBQOZFGIYKFI-UHFFFAOYSA-N 2 2 334.468 1.714 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](OCC[NH+]3CCCC3)C1)CC2 ZINC000626122325 450578946 /nfs/dbraw/zinc/57/89/46/450578946.db2.gz RYIFUSRYOZILES-DLBZAZTESA-N 2 2 346.475 1.467 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000621108584 450581844 /nfs/dbraw/zinc/58/18/44/450581844.db2.gz CUKPBPFHDFXHBN-MSOLQXFVSA-N 2 2 337.508 1.726 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000621108584 450581845 /nfs/dbraw/zinc/58/18/45/450581845.db2.gz CUKPBPFHDFXHBN-MSOLQXFVSA-N 2 2 337.508 1.726 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000621108584 450581848 /nfs/dbraw/zinc/58/18/48/450581848.db2.gz CUKPBPFHDFXHBN-MSOLQXFVSA-N 2 2 337.508 1.726 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000621108584 450581850 /nfs/dbraw/zinc/58/18/50/450581850.db2.gz CUKPBPFHDFXHBN-MSOLQXFVSA-N 2 2 337.508 1.726 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(-c2ccccc2)no1 ZINC000631443006 450594094 /nfs/dbraw/zinc/59/40/94/450594094.db2.gz OHESXMYUSKOYIB-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(-c2ccccc2)no1 ZINC000631443006 450594102 /nfs/dbraw/zinc/59/41/02/450594102.db2.gz OHESXMYUSKOYIB-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP CN(c1ccccc1C[NH2+]CC[N@@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000623837384 450609430 /nfs/dbraw/zinc/60/94/30/450609430.db2.gz BQTBTCUQWFFOJT-IBGZPJMESA-N 3 2 346.519 1.373 20 0 EDADLP CN(c1ccccc1C[NH2+]CC[N@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000623837384 450609436 /nfs/dbraw/zinc/60/94/36/450609436.db2.gz BQTBTCUQWFFOJT-IBGZPJMESA-N 3 2 346.519 1.373 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623858312 450616627 /nfs/dbraw/zinc/61/66/27/450616627.db2.gz IIQHDXOLZXUFME-HNNXBMFYSA-N 2 2 338.459 2.320 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000635067255 450618288 /nfs/dbraw/zinc/61/82/88/450618288.db2.gz OOBRFWOXPCUFQN-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000635067255 450618290 /nfs/dbraw/zinc/61/82/90/450618290.db2.gz OOBRFWOXPCUFQN-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000631636500 450688962 /nfs/dbraw/zinc/68/89/62/450688962.db2.gz HUEXDCWDSXEQBG-UHFFFAOYSA-N 2 2 325.478 1.086 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCc2ccccc2-n2ccnc21)C[NH+]1CCCC1 ZINC000629585605 450750416 /nfs/dbraw/zinc/75/04/16/450750416.db2.gz YBVBXJVUVAZLCI-IRXDYDNUSA-N 2 2 326.444 1.906 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000629650306 450770514 /nfs/dbraw/zinc/77/05/14/450770514.db2.gz NXLPARXRUYYGGC-OWOJBTEDSA-N 2 2 332.423 1.482 20 0 EDADLP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000624306287 450790211 /nfs/dbraw/zinc/79/02/11/450790211.db2.gz ZONRFTXQJKUTNH-HRCADAONSA-N 2 2 336.436 1.441 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H](C)[N@H+]1CCO ZINC000633321056 450797878 /nfs/dbraw/zinc/79/78/78/450797878.db2.gz XBRLDRMUNGMLHA-OKILXGFUSA-N 2 2 328.416 1.604 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000633321056 450797884 /nfs/dbraw/zinc/79/78/84/450797884.db2.gz XBRLDRMUNGMLHA-OKILXGFUSA-N 2 2 328.416 1.604 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC[C@H]1COc2ccccc2O1 ZINC000631887426 450849469 /nfs/dbraw/zinc/84/94/69/450849469.db2.gz RFBYDUSBLYUYKS-PMPSAXMXSA-N 2 2 345.443 1.017 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC[C@H]1COc2ccccc2O1 ZINC000631887426 450849472 /nfs/dbraw/zinc/84/94/72/450849472.db2.gz RFBYDUSBLYUYKS-PMPSAXMXSA-N 2 2 345.443 1.017 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888608 450850991 /nfs/dbraw/zinc/85/09/91/450850991.db2.gz XUUAFVWBKUZKAL-DOTOQJQBSA-N 2 2 349.450 1.737 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888608 450850995 /nfs/dbraw/zinc/85/09/95/450850995.db2.gz XUUAFVWBKUZKAL-DOTOQJQBSA-N 2 2 349.450 1.737 20 0 EDADLP CCn1cc(CC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cn1 ZINC000621776648 450864034 /nfs/dbraw/zinc/86/40/34/450864034.db2.gz RCVLDBDKNGYZAS-UHFFFAOYSA-N 2 2 329.452 1.020 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3coc(OC)n3)CC2)CC1 ZINC000627794792 450942188 /nfs/dbraw/zinc/94/21/88/450942188.db2.gz QOHORXJILCRDPV-UHFFFAOYSA-N 2 2 336.436 1.315 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3coc(OC)n3)CC2)CC1 ZINC000627794792 450942194 /nfs/dbraw/zinc/94/21/94/450942194.db2.gz QOHORXJILCRDPV-UHFFFAOYSA-N 2 2 336.436 1.315 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633616908 450945290 /nfs/dbraw/zinc/94/52/90/450945290.db2.gz HYLOXEFTDOLKCX-CVEARBPZSA-N 2 2 342.443 1.640 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633616908 450945295 /nfs/dbraw/zinc/94/52/95/450945295.db2.gz HYLOXEFTDOLKCX-CVEARBPZSA-N 2 2 342.443 1.640 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)ccn1 ZINC000621936344 450947041 /nfs/dbraw/zinc/94/70/41/450947041.db2.gz CEUIYBNGDRRYFN-UHFFFAOYSA-N 2 2 331.420 1.339 20 0 EDADLP C[NH2+]CCOCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000626926781 451009658 /nfs/dbraw/zinc/00/96/58/451009658.db2.gz DPWVTLIDULDFJJ-OAHLLOKOSA-N 2 2 349.410 1.184 20 0 EDADLP CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1C[NH+]2CCC1CC2 ZINC000635550067 451045090 /nfs/dbraw/zinc/04/50/90/451045090.db2.gz SJMFRNJFMNQVRM-STQMWFEESA-N 2 2 330.354 1.929 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)[nH+]c1 ZINC000622064093 451017931 /nfs/dbraw/zinc/01/79/31/451017931.db2.gz YJUIQVRMCQCQMB-MRXNPFEDSA-N 2 2 328.460 1.959 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)[nH+]c1 ZINC000622064093 451017937 /nfs/dbraw/zinc/01/79/37/451017937.db2.gz YJUIQVRMCQCQMB-MRXNPFEDSA-N 2 2 328.460 1.959 20 0 EDADLP CC(C)C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000635559000 451056189 /nfs/dbraw/zinc/05/61/89/451056189.db2.gz DKXIAMDGKJLJGB-GOSISDBHSA-N 3 2 349.523 1.955 20 0 EDADLP CC(C)C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000635559000 451056192 /nfs/dbraw/zinc/05/61/92/451056192.db2.gz DKXIAMDGKJLJGB-GOSISDBHSA-N 3 2 349.523 1.955 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000628049192 451103907 /nfs/dbraw/zinc/10/39/07/451103907.db2.gz FKESTGLYPOFPEJ-MSOLQXFVSA-N 2 2 340.427 1.303 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000628049192 451103911 /nfs/dbraw/zinc/10/39/11/451103911.db2.gz FKESTGLYPOFPEJ-MSOLQXFVSA-N 2 2 340.427 1.303 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000635619245 451109230 /nfs/dbraw/zinc/10/92/30/451109230.db2.gz RPELFLANPDXGKA-IBGZPJMESA-N 2 2 345.487 1.484 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000635619245 451109234 /nfs/dbraw/zinc/10/92/34/451109234.db2.gz RPELFLANPDXGKA-IBGZPJMESA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cc(NCCNC(=O)NCC2([NH3+])CCCCC2)nc(C(C)C)[nH+]1 ZINC000627068025 451110658 /nfs/dbraw/zinc/11/06/58/451110658.db2.gz INELMSWETQJVDG-UHFFFAOYSA-N 2 2 348.495 2.281 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000622339848 451129238 /nfs/dbraw/zinc/12/92/38/451129238.db2.gz GRMMSUHPUSPSGM-DOTOQJQBSA-N 2 2 335.496 1.794 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000622339848 451129241 /nfs/dbraw/zinc/12/92/41/451129241.db2.gz GRMMSUHPUSPSGM-DOTOQJQBSA-N 2 2 335.496 1.794 20 0 EDADLP C[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000632227841 451129988 /nfs/dbraw/zinc/12/99/88/451129988.db2.gz KXTLKSNVVDLYFH-ZBFHGGJFSA-N 2 2 339.505 1.691 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000635693936 451177436 /nfs/dbraw/zinc/17/74/36/451177436.db2.gz FIUVZAPQDOJYJC-JKSUJKDBSA-N 2 2 334.464 1.766 20 0 EDADLP C[C@@H](C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[NH+]1CCSCC1 ZINC000634093246 451189505 /nfs/dbraw/zinc/18/95/05/451189505.db2.gz LJFDQVRLUCWKHK-ZDUSSCGKSA-N 2 2 337.493 1.526 20 0 EDADLP CC(C)C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)n1cc[nH+]c1 ZINC000635711244 451190332 /nfs/dbraw/zinc/19/03/32/451190332.db2.gz PUAZIKDVMOUSHZ-IAGOWNOFSA-N 2 2 336.480 1.823 20 0 EDADLP CC(C)C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)n1cc[nH+]c1 ZINC000635711244 451190337 /nfs/dbraw/zinc/19/03/37/451190337.db2.gz PUAZIKDVMOUSHZ-IAGOWNOFSA-N 2 2 336.480 1.823 20 0 EDADLP CN(C)[C@H](C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)c1c[nH+]cn1C ZINC000634094959 451191482 /nfs/dbraw/zinc/19/14/82/451191482.db2.gz GQIYWLPCUSPPMQ-INIZCTEOSA-N 2 2 345.451 1.125 20 0 EDADLP Cc1c[nH]c(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)[nH+]1 ZINC000628277306 451206844 /nfs/dbraw/zinc/20/68/44/451206844.db2.gz MSUUVJGNJBREKT-UHFFFAOYSA-N 2 2 329.448 1.838 20 0 EDADLP Cc1ccc(C(=O)C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc1 ZINC000634198705 451234862 /nfs/dbraw/zinc/23/48/62/451234862.db2.gz UDRGDSQJKMLCSS-UHFFFAOYSA-N 2 2 338.411 1.963 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc[nH+]1 ZINC000635797431 451246912 /nfs/dbraw/zinc/24/69/12/451246912.db2.gz IWZBIGPFZBCTMR-MRXNPFEDSA-N 2 2 329.448 1.451 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CC2)cc[nH+]1 ZINC000635797431 451246914 /nfs/dbraw/zinc/24/69/14/451246914.db2.gz IWZBIGPFZBCTMR-MRXNPFEDSA-N 2 2 329.448 1.451 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+]1CCCC1 ZINC000636524493 451267036 /nfs/dbraw/zinc/26/70/36/451267036.db2.gz OVGLBRXUURDJFB-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+]1CCCC1 ZINC000636524493 451267041 /nfs/dbraw/zinc/26/70/41/451267041.db2.gz OVGLBRXUURDJFB-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCC1C[NH2+]C1 ZINC000638100945 451267259 /nfs/dbraw/zinc/26/72/59/451267259.db2.gz BRSSRMQLQMHFQV-KRWDZBQOSA-N 2 2 345.487 1.736 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638111239 451279517 /nfs/dbraw/zinc/27/95/17/451279517.db2.gz MLYMYHUABYREGU-SFHVURJKSA-N 2 2 328.416 1.268 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638112920 451281613 /nfs/dbraw/zinc/28/16/13/451281613.db2.gz XBPUQDDCZPONQN-CQSZACIVSA-N 2 2 325.416 1.282 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638112920 451281617 /nfs/dbraw/zinc/28/16/17/451281617.db2.gz XBPUQDDCZPONQN-CQSZACIVSA-N 2 2 325.416 1.282 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000638122643 451292251 /nfs/dbraw/zinc/29/22/51/451292251.db2.gz NRVSTDQIKDMXQB-MRXNPFEDSA-N 2 2 337.489 1.642 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000638122643 451292256 /nfs/dbraw/zinc/29/22/56/451292256.db2.gz NRVSTDQIKDMXQB-MRXNPFEDSA-N 2 2 337.489 1.642 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000632457971 451307558 /nfs/dbraw/zinc/30/75/58/451307558.db2.gz SVLXUGXHAZIBPT-MRXNPFEDSA-N 2 2 339.505 1.474 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000632457971 451307563 /nfs/dbraw/zinc/30/75/63/451307563.db2.gz SVLXUGXHAZIBPT-MRXNPFEDSA-N 2 2 339.505 1.474 20 0 EDADLP COC[C@@]1(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CCCC[NH2+]1 ZINC000638140270 451315148 /nfs/dbraw/zinc/31/51/48/451315148.db2.gz YDBKRYYPNZYNOI-VQIMIIECSA-N 2 2 346.475 1.446 20 0 EDADLP CN(C)c1cncc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000640437752 451315626 /nfs/dbraw/zinc/31/56/26/451315626.db2.gz QGDVREACNUGMMI-UHFFFAOYSA-N 2 2 334.468 1.295 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCC[NH+]2CC=CCC2)cc1 ZINC000635878378 451325264 /nfs/dbraw/zinc/32/52/64/451325264.db2.gz UXAGIIHCBAFXTJ-GOSISDBHSA-N 2 2 329.444 1.648 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCC[NH+]2CC=CCC2)cc1 ZINC000635878378 451325272 /nfs/dbraw/zinc/32/52/72/451325272.db2.gz UXAGIIHCBAFXTJ-GOSISDBHSA-N 2 2 329.444 1.648 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000635878378 451325277 /nfs/dbraw/zinc/32/52/77/451325277.db2.gz UXAGIIHCBAFXTJ-GOSISDBHSA-N 2 2 329.444 1.648 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000635878378 451325280 /nfs/dbraw/zinc/32/52/80/451325280.db2.gz UXAGIIHCBAFXTJ-GOSISDBHSA-N 2 2 329.444 1.648 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1 ZINC000630632243 451288652 /nfs/dbraw/zinc/28/86/52/451288652.db2.gz CDTFDHBVNOTLGI-UHFFFAOYSA-N 2 2 342.447 1.370 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC000635913979 451359229 /nfs/dbraw/zinc/35/92/29/451359229.db2.gz DIVLPQXLZMRATC-AWEZNQCLSA-N 2 2 345.447 1.177 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000634511184 451377969 /nfs/dbraw/zinc/37/79/69/451377969.db2.gz DMEIRPPDEIAZFN-IXDOHACOSA-N 2 2 345.491 1.425 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000634511184 451377970 /nfs/dbraw/zinc/37/79/70/451377970.db2.gz DMEIRPPDEIAZFN-IXDOHACOSA-N 2 2 345.491 1.425 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000638290382 451406516 /nfs/dbraw/zinc/40/65/16/451406516.db2.gz RMKDDFWSBZIINY-PBHICJAKSA-N 2 2 326.400 1.485 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NC[C@H]1CCC[N@H+]1CCCO ZINC000635976139 451411100 /nfs/dbraw/zinc/41/11/00/451411100.db2.gz WJSYQEYQLXHJTI-CHWSQXEVSA-N 2 2 348.369 1.340 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640570644 451415585 /nfs/dbraw/zinc/41/55/85/451415585.db2.gz WAHKQNBPMUEGNC-ZBFHGGJFSA-N 2 2 347.463 1.470 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640576544 451421656 /nfs/dbraw/zinc/42/16/56/451421656.db2.gz WKIOKXNMLZMHEL-UHFFFAOYSA-N 3 2 336.484 1.148 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640576544 451421658 /nfs/dbraw/zinc/42/16/58/451421658.db2.gz WKIOKXNMLZMHEL-UHFFFAOYSA-N 3 2 336.484 1.148 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[NH+]2CCCC2)o1 ZINC000636697061 451423335 /nfs/dbraw/zinc/42/33/35/451423335.db2.gz AGBXSZPGSLPLQV-ZBFHGGJFSA-N 2 2 343.431 1.846 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634643440 451436289 /nfs/dbraw/zinc/43/62/89/451436289.db2.gz BPLWQTNNEVYUPN-QRQLOZEOSA-N 2 2 348.487 1.704 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634643440 451436290 /nfs/dbraw/zinc/43/62/90/451436290.db2.gz BPLWQTNNEVYUPN-QRQLOZEOSA-N 2 2 348.487 1.704 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)CC1(O)CCOCC1 ZINC000634644252 451436869 /nfs/dbraw/zinc/43/68/69/451436869.db2.gz QYQQNIHAHMDOMU-OAHLLOKOSA-N 2 2 349.406 1.394 20 0 EDADLP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000634678514 451463937 /nfs/dbraw/zinc/46/39/37/451463937.db2.gz WNGDOCMVDZSDNX-INIZCTEOSA-N 2 2 333.480 1.536 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638394342 451484592 /nfs/dbraw/zinc/48/45/92/451484592.db2.gz BNXDKSUEUVZRNQ-ZJOBFFGXSA-N 2 2 335.448 1.309 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638394342 451484596 /nfs/dbraw/zinc/48/45/96/451484596.db2.gz BNXDKSUEUVZRNQ-ZJOBFFGXSA-N 2 2 335.448 1.309 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000636074812 451489967 /nfs/dbraw/zinc/48/99/67/451489967.db2.gz NUGSKOLFNCJDOZ-ZYHUDNBSSA-N 2 2 327.310 1.704 20 0 EDADLP CO[C@@H](C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000638440039 451518376 /nfs/dbraw/zinc/51/83/76/451518376.db2.gz JVHMDAOZVIUCES-IBGZPJMESA-N 2 2 334.460 1.912 20 0 EDADLP c1cn(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c[nH+]1 ZINC000631035003 451544207 /nfs/dbraw/zinc/54/42/07/451544207.db2.gz XZSLYWNZLZBEBY-UHFFFAOYSA-N 3 2 330.432 1.384 20 0 EDADLP c1cn(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cn1 ZINC000631035003 451544212 /nfs/dbraw/zinc/54/42/12/451544212.db2.gz XZSLYWNZLZBEBY-UHFFFAOYSA-N 2 2 330.432 1.384 20 0 EDADLP NS(=O)(=O)c1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1Cl ZINC000631036271 451544699 /nfs/dbraw/zinc/54/46/99/451544699.db2.gz YSVNVSRWAFTBJT-UHFFFAOYSA-N 2 2 345.896 1.953 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000631048460 451553302 /nfs/dbraw/zinc/55/33/02/451553302.db2.gz XRFGKRGOIAKFHE-UHFFFAOYSA-N 2 2 342.491 1.896 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000631048460 451553306 /nfs/dbraw/zinc/55/33/06/451553306.db2.gz XRFGKRGOIAKFHE-UHFFFAOYSA-N 2 2 342.491 1.896 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1-c1cn[nH]c1 ZINC000636171962 451563161 /nfs/dbraw/zinc/56/31/61/451563161.db2.gz RBOTUPOAAJHZHP-UHFFFAOYSA-N 2 2 329.448 1.690 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1-c1cn[nH]c1 ZINC000636171962 451563164 /nfs/dbraw/zinc/56/31/64/451563164.db2.gz RBOTUPOAAJHZHP-UHFFFAOYSA-N 2 2 329.448 1.690 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631068703 451566387 /nfs/dbraw/zinc/56/63/87/451566387.db2.gz LKUDJLXEYAPUIF-UHFFFAOYSA-N 2 2 347.507 1.331 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000631079750 451572971 /nfs/dbraw/zinc/57/29/71/451572971.db2.gz SIKADKIOYSTPHV-SJLPKXTDSA-N 2 2 334.460 1.912 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2c(cccc2C(F)(F)F)C1 ZINC000638600845 451599671 /nfs/dbraw/zinc/59/96/71/451599671.db2.gz GCVPNQSAMROEAC-CQSZACIVSA-N 2 2 329.366 1.869 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCO[C@H](CCC[NH+](C)C)C3)cc2[nH+]1 ZINC000636233116 451607634 /nfs/dbraw/zinc/60/76/34/451607634.db2.gz UKHYYUJNHBIIEW-MRXNPFEDSA-N 2 2 330.432 1.826 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000638567217 451579705 /nfs/dbraw/zinc/57/97/05/451579705.db2.gz JWHMAUZHMLKTIA-OKZBNKHCSA-N 3 2 341.459 1.058 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000636244964 451615888 /nfs/dbraw/zinc/61/58/88/451615888.db2.gz PZEJQRCYXDGBGS-RBUKOAKNSA-N 2 2 344.503 1.261 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000636244964 451615895 /nfs/dbraw/zinc/61/58/95/451615895.db2.gz PZEJQRCYXDGBGS-RBUKOAKNSA-N 2 2 344.503 1.261 20 0 EDADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000636244964 451615900 /nfs/dbraw/zinc/61/59/00/451615900.db2.gz PZEJQRCYXDGBGS-RBUKOAKNSA-N 2 2 344.503 1.261 20 0 EDADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000636244964 451615905 /nfs/dbraw/zinc/61/59/05/451615905.db2.gz PZEJQRCYXDGBGS-RBUKOAKNSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717123 451663993 /nfs/dbraw/zinc/66/39/93/451663993.db2.gz FTUZJONYIJVQAU-BBRMVZONSA-N 2 2 326.448 1.302 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717123 451663997 /nfs/dbraw/zinc/66/39/97/451663997.db2.gz FTUZJONYIJVQAU-BBRMVZONSA-N 2 2 326.448 1.302 20 0 EDADLP C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)C1 ZINC000634992129 451640251 /nfs/dbraw/zinc/64/02/51/451640251.db2.gz FINNUSVSFIOMTO-SDDULXJBSA-N 2 2 334.508 1.051 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc2n1CCCC2 ZINC000631275309 451675641 /nfs/dbraw/zinc/67/56/41/451675641.db2.gz CXLCVOSKJMQDRQ-UHFFFAOYSA-N 2 2 333.480 1.317 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc2n1CCCC2 ZINC000631275309 451675644 /nfs/dbraw/zinc/67/56/44/451675644.db2.gz CXLCVOSKJMQDRQ-UHFFFAOYSA-N 2 2 333.480 1.317 20 0 EDADLP COc1cncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000631275467 451676165 /nfs/dbraw/zinc/67/61/65/451676165.db2.gz FDYSORVBFJBIHL-UHFFFAOYSA-N 2 2 334.464 1.497 20 0 EDADLP COc1cncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000631275467 451676166 /nfs/dbraw/zinc/67/61/66/451676166.db2.gz FDYSORVBFJBIHL-UHFFFAOYSA-N 2 2 334.464 1.497 20 0 EDADLP COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000631259530 451667451 /nfs/dbraw/zinc/66/74/51/451667451.db2.gz VIPXXBPRKSCKDY-HNNXBMFYSA-N 2 2 347.459 1.228 20 0 EDADLP COc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1O ZINC000631259530 451667456 /nfs/dbraw/zinc/66/74/56/451667456.db2.gz VIPXXBPRKSCKDY-HNNXBMFYSA-N 2 2 347.459 1.228 20 0 EDADLP CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C(F)F ZINC000639078408 451763228 /nfs/dbraw/zinc/76/32/28/451763228.db2.gz CSLLBQPHNHBZIO-LSDHHAIUSA-N 2 2 336.386 1.961 20 0 EDADLP CC[C@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C(F)F ZINC000639078407 451763284 /nfs/dbraw/zinc/76/32/84/451763284.db2.gz CSLLBQPHNHBZIO-GJZGRUSLSA-N 2 2 336.386 1.961 20 0 EDADLP CC(C)(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000639138827 451775125 /nfs/dbraw/zinc/77/51/25/451775125.db2.gz FUTXIMFILRIMEA-KRWDZBQOSA-N 2 2 325.497 1.141 20 0 EDADLP CC(C)(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000639138827 451775127 /nfs/dbraw/zinc/77/51/27/451775127.db2.gz FUTXIMFILRIMEA-KRWDZBQOSA-N 2 2 325.497 1.141 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637288118 451781244 /nfs/dbraw/zinc/78/12/44/451781244.db2.gz DIDUTFSWFKLNHB-JKSUJKDBSA-N 2 2 325.416 1.382 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637288118 451781245 /nfs/dbraw/zinc/78/12/45/451781245.db2.gz DIDUTFSWFKLNHB-JKSUJKDBSA-N 2 2 325.416 1.382 20 0 EDADLP OCCC[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639243115 451797973 /nfs/dbraw/zinc/79/79/73/451797973.db2.gz DKMPBHSJUZSFIG-GOSISDBHSA-N 2 2 348.487 1.992 20 0 EDADLP OCCC[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639243115 451797976 /nfs/dbraw/zinc/79/79/76/451797976.db2.gz DKMPBHSJUZSFIG-GOSISDBHSA-N 2 2 348.487 1.992 20 0 EDADLP Cc1cc(NCCNC(=O)NCC[N@H+]2CC=CCC2)nc(C(C)C)[nH+]1 ZINC000637411570 451840234 /nfs/dbraw/zinc/84/02/34/451840234.db2.gz PQUQOCPUMBKCJH-UHFFFAOYSA-N 2 2 346.479 1.881 20 0 EDADLP Cc1cc(NCCNC(=O)NCC[N@@H+]2CC=CCC2)nc(C(C)C)[nH+]1 ZINC000637411570 451840239 /nfs/dbraw/zinc/84/02/39/451840239.db2.gz PQUQOCPUMBKCJH-UHFFFAOYSA-N 2 2 346.479 1.881 20 0 EDADLP c1[nH]nc2c1C[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)CC2 ZINC000639342876 451836373 /nfs/dbraw/zinc/83/63/73/451836373.db2.gz DRQYVOZVBYZCGZ-UHFFFAOYSA-N 2 2 342.443 1.679 20 0 EDADLP c1[nH]nc2c1C[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)CC2 ZINC000639342876 451836382 /nfs/dbraw/zinc/83/63/82/451836382.db2.gz DRQYVOZVBYZCGZ-UHFFFAOYSA-N 2 2 342.443 1.679 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641315316 451838026 /nfs/dbraw/zinc/83/80/26/451838026.db2.gz LIQDJZNRIWKOFZ-UHFFFAOYSA-N 2 2 328.482 1.265 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641315316 451838033 /nfs/dbraw/zinc/83/80/33/451838033.db2.gz LIQDJZNRIWKOFZ-UHFFFAOYSA-N 2 2 328.482 1.265 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644528700 451842296 /nfs/dbraw/zinc/84/22/96/451842296.db2.gz QAONAQXKHUMXCN-IBGZPJMESA-N 3 2 335.492 1.180 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644528700 451842303 /nfs/dbraw/zinc/84/23/03/451842303.db2.gz QAONAQXKHUMXCN-IBGZPJMESA-N 3 2 335.492 1.180 20 0 EDADLP C[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000644530272 451844537 /nfs/dbraw/zinc/84/45/37/451844537.db2.gz DGZNHVJKOYZPIE-LPWJVIDDSA-N 2 2 328.375 1.014 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOc2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000644548680 451854679 /nfs/dbraw/zinc/85/46/79/451854679.db2.gz HGQAUEAHFXYLRS-MCIONIFRSA-N 2 2 344.402 1.403 20 0 EDADLP CCCn1nccc1NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000639454027 451877170 /nfs/dbraw/zinc/87/71/70/451877170.db2.gz UOVKUAJTCWKPSB-UHFFFAOYSA-N 2 2 349.479 1.276 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000644589375 451880087 /nfs/dbraw/zinc/88/00/87/451880087.db2.gz WYXCPNDCTASGJV-BOFPYLFWSA-N 2 2 347.459 1.457 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000644589375 451880095 /nfs/dbraw/zinc/88/00/95/451880095.db2.gz WYXCPNDCTASGJV-BOFPYLFWSA-N 2 2 347.459 1.457 20 0 EDADLP CC(=O)N(C)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639465241 451882758 /nfs/dbraw/zinc/88/27/58/451882758.db2.gz FUDPKQWPOLBHNW-HXUWFJFHSA-N 2 2 345.487 1.566 20 0 EDADLP CC(=O)N(C)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639465241 451882761 /nfs/dbraw/zinc/88/27/61/451882761.db2.gz FUDPKQWPOLBHNW-HXUWFJFHSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCCC2)[C@@H](C)CO1 ZINC000637470462 451886121 /nfs/dbraw/zinc/88/61/21/451886121.db2.gz MSDVLMMHWYLSJL-ZMSDIMECSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCCC2)[C@@H](C)CO1 ZINC000637470462 451886129 /nfs/dbraw/zinc/88/61/29/451886129.db2.gz MSDVLMMHWYLSJL-ZMSDIMECSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)[C@@H](C)CO1 ZINC000637470462 451886137 /nfs/dbraw/zinc/88/61/37/451886137.db2.gz MSDVLMMHWYLSJL-ZMSDIMECSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)[C@@H](C)CO1 ZINC000637470462 451886144 /nfs/dbraw/zinc/88/61/44/451886144.db2.gz MSDVLMMHWYLSJL-ZMSDIMECSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[NH+]1CCOCC1 ZINC000642655569 451908830 /nfs/dbraw/zinc/90/88/30/451908830.db2.gz PFZLDWLKTWMRMW-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[C@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[N@@H+]1C1CC1 ZINC000641376433 451910600 /nfs/dbraw/zinc/91/06/00/451910600.db2.gz XMOUDXUQQGNFIV-HIFRSBDPSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@@H]1C[C@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C[N@H+]1C1CC1 ZINC000641376433 451910601 /nfs/dbraw/zinc/91/06/01/451910601.db2.gz XMOUDXUQQGNFIV-HIFRSBDPSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@@H]1C[C@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C[NH+]1C1CC1 ZINC000641376433 451910607 /nfs/dbraw/zinc/91/06/07/451910607.db2.gz XMOUDXUQQGNFIV-HIFRSBDPSA-N 2 2 349.500 1.578 20 0 EDADLP C[C@@H]1C[C@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C[NH+]1C1CC1 ZINC000641376433 451910610 /nfs/dbraw/zinc/91/06/10/451910610.db2.gz XMOUDXUQQGNFIV-HIFRSBDPSA-N 2 2 349.500 1.578 20 0 EDADLP CCCCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000649224839 451917097 /nfs/dbraw/zinc/91/70/97/451917097.db2.gz LABYRMRLUPAVEP-SFHVURJKSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000649224839 451917102 /nfs/dbraw/zinc/91/71/02/451917102.db2.gz LABYRMRLUPAVEP-SFHVURJKSA-N 2 2 338.540 1.783 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000644648486 451917098 /nfs/dbraw/zinc/91/70/98/451917098.db2.gz DDLSNXXSXBGYTQ-NJAFHUGGSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000644648486 451917101 /nfs/dbraw/zinc/91/71/01/451917101.db2.gz DDLSNXXSXBGYTQ-NJAFHUGGSA-N 2 2 331.460 1.222 20 0 EDADLP Cn1nc2c(c1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CCCC2 ZINC000644651864 451919528 /nfs/dbraw/zinc/91/95/28/451919528.db2.gz WJFQCQWTRDCXRQ-KRWDZBQOSA-N 2 2 342.487 1.881 20 0 EDADLP Cn1nc2c(c1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CCCC2 ZINC000644651864 451919531 /nfs/dbraw/zinc/91/95/31/451919531.db2.gz WJFQCQWTRDCXRQ-KRWDZBQOSA-N 2 2 342.487 1.881 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000639540066 451932566 /nfs/dbraw/zinc/93/25/66/451932566.db2.gz FMZWWYWVJSBXIP-CQSZACIVSA-N 2 2 329.404 1.570 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000644678998 451935017 /nfs/dbraw/zinc/93/50/17/451935017.db2.gz QIQPLHOQHILOTA-IBGZPJMESA-N 2 2 342.487 1.463 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000644678998 451935022 /nfs/dbraw/zinc/93/50/22/451935022.db2.gz QIQPLHOQHILOTA-IBGZPJMESA-N 2 2 342.487 1.463 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)c[nH+]1 ZINC000649289257 451964494 /nfs/dbraw/zinc/96/44/94/451964494.db2.gz DRQQKSXOHPCSKZ-ZDUSSCGKSA-N 2 2 326.391 1.789 20 0 EDADLP CN(C(=O)CCc1cncnc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644795687 451993725 /nfs/dbraw/zinc/99/37/25/451993725.db2.gz JKVNSOOUKYQOMI-QGZVFWFLSA-N 2 2 331.464 1.036 20 0 EDADLP CN(C(=O)CCc1cncnc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644795687 451993732 /nfs/dbraw/zinc/99/37/32/451993732.db2.gz JKVNSOOUKYQOMI-QGZVFWFLSA-N 2 2 331.464 1.036 20 0 EDADLP CN(C(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1nccs1 ZINC000639682022 452021624 /nfs/dbraw/zinc/02/16/24/452021624.db2.gz DZOUJTIXSZSMKC-UHFFFAOYSA-N 2 2 331.445 1.713 20 0 EDADLP CN(C(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1nccs1 ZINC000639682022 452021627 /nfs/dbraw/zinc/02/16/27/452021627.db2.gz DZOUJTIXSZSMKC-UHFFFAOYSA-N 2 2 331.445 1.713 20 0 EDADLP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@]2([NH3+])CCN(C)C2)c1 ZINC000649346617 452028070 /nfs/dbraw/zinc/02/80/70/452028070.db2.gz VZIDIRKZPKLIDC-HXUWFJFHSA-N 2 2 346.519 1.958 20 0 EDADLP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@]2([NH3+])CCN(C)C2)c1 ZINC000649346617 452028076 /nfs/dbraw/zinc/02/80/76/452028076.db2.gz VZIDIRKZPKLIDC-HXUWFJFHSA-N 2 2 346.519 1.958 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000649351420 452035347 /nfs/dbraw/zinc/03/53/47/452035347.db2.gz XBFMOIZBQWSZFG-UHFFFAOYSA-N 2 2 328.416 1.290 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000647074083 452044851 /nfs/dbraw/zinc/04/48/51/452044851.db2.gz UPHBIOUGWFGENQ-DOTOQJQBSA-N 2 2 331.460 1.766 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cc3cnccc3o2)C1=O ZINC000651759457 452059220 /nfs/dbraw/zinc/05/92/20/452059220.db2.gz QIYBYAQCCPBMLV-HNNXBMFYSA-N 2 2 339.399 1.842 20 0 EDADLP O=C(CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)N1CCCc2ccccc21 ZINC000649413639 452076422 /nfs/dbraw/zinc/07/64/22/452076422.db2.gz VQSAEZFYIYTQFB-QGZVFWFLSA-N 2 2 342.487 1.193 20 0 EDADLP Cn1cc(-c2nc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cs2)cn1 ZINC000649417595 452080752 /nfs/dbraw/zinc/08/07/52/452080752.db2.gz GDRYPEPLHPAGLD-HNNXBMFYSA-N 2 2 332.477 1.023 20 0 EDADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCS[C@H](c3ccccc3)C2)C1=O ZINC000649483743 452105176 /nfs/dbraw/zinc/10/51/76/452105176.db2.gz WHQAQEBQIOETME-HOTGVXAUSA-N 2 2 347.484 1.466 20 0 EDADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCS[C@H](c3ccccc3)C2)C1=O ZINC000649483743 452105183 /nfs/dbraw/zinc/10/51/83/452105183.db2.gz WHQAQEBQIOETME-HOTGVXAUSA-N 2 2 347.484 1.466 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nnn(C(C)(C)C)n3)CC2)CC1 ZINC000653768927 452106745 /nfs/dbraw/zinc/10/67/45/452106745.db2.gz IPEOHYBOVCRHTA-UHFFFAOYSA-N 2 2 349.527 1.420 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nnn(C(C)(C)C)n3)CC2)CC1 ZINC000653768927 452106752 /nfs/dbraw/zinc/10/67/52/452106752.db2.gz IPEOHYBOVCRHTA-UHFFFAOYSA-N 2 2 349.527 1.420 20 0 EDADLP COc1ncncc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000647175208 452107831 /nfs/dbraw/zinc/10/78/31/452107831.db2.gz CBPVGWQTNQVHCM-OAHLLOKOSA-N 2 2 342.443 1.996 20 0 EDADLP COc1ncncc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000647175208 452107836 /nfs/dbraw/zinc/10/78/36/452107836.db2.gz CBPVGWQTNQVHCM-OAHLLOKOSA-N 2 2 342.443 1.996 20 0 EDADLP CO[C@H](C)[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643272456 452110533 /nfs/dbraw/zinc/11/05/33/452110533.db2.gz IUXBQQOPQDDODP-IIAWOOMASA-N 2 2 326.485 1.220 20 0 EDADLP CO[C@H](C)[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643272456 452110539 /nfs/dbraw/zinc/11/05/39/452110539.db2.gz IUXBQQOPQDDODP-IIAWOOMASA-N 2 2 326.485 1.220 20 0 EDADLP COc1ncncc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000647200075 452122316 /nfs/dbraw/zinc/12/23/16/452122316.db2.gz HMAWBULYFWJNMF-SFHVURJKSA-N 2 2 342.443 1.732 20 0 EDADLP COc1ncncc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000647200075 452122321 /nfs/dbraw/zinc/12/23/21/452122321.db2.gz HMAWBULYFWJNMF-SFHVURJKSA-N 2 2 342.443 1.732 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792516 452131539 /nfs/dbraw/zinc/13/15/39/452131539.db2.gz RNIWOVABOPENGC-DOTOQJQBSA-N 2 2 326.444 1.874 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792516 452131542 /nfs/dbraw/zinc/13/15/42/452131542.db2.gz RNIWOVABOPENGC-DOTOQJQBSA-N 2 2 326.444 1.874 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792516 452131548 /nfs/dbraw/zinc/13/15/48/452131548.db2.gz RNIWOVABOPENGC-DOTOQJQBSA-N 2 2 326.444 1.874 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1)C1CC1 ZINC000639792516 452131551 /nfs/dbraw/zinc/13/15/51/452131551.db2.gz RNIWOVABOPENGC-DOTOQJQBSA-N 2 2 326.444 1.874 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793543 452133445 /nfs/dbraw/zinc/13/34/45/452133445.db2.gz UWUHRQFQGWPDEP-IAGOWNOFSA-N 2 2 344.459 1.358 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793543 452133452 /nfs/dbraw/zinc/13/34/52/452133452.db2.gz UWUHRQFQGWPDEP-IAGOWNOFSA-N 2 2 344.459 1.358 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793543 452133460 /nfs/dbraw/zinc/13/34/60/452133460.db2.gz UWUHRQFQGWPDEP-IAGOWNOFSA-N 2 2 344.459 1.358 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793543 452133463 /nfs/dbraw/zinc/13/34/63/452133463.db2.gz UWUHRQFQGWPDEP-IAGOWNOFSA-N 2 2 344.459 1.358 20 0 EDADLP Cc1cc(CNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc(C)[nH+]1 ZINC000643384104 452166878 /nfs/dbraw/zinc/16/68/78/452166878.db2.gz FXIDQGRXPOFSSR-GOSISDBHSA-N 2 2 345.491 1.620 20 0 EDADLP Cc1cc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc(C)[nH+]1 ZINC000643384104 452166882 /nfs/dbraw/zinc/16/68/82/452166882.db2.gz FXIDQGRXPOFSSR-GOSISDBHSA-N 2 2 345.491 1.620 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C)OC3(CCCCC3)C2)CC1 ZINC000653907968 452170364 /nfs/dbraw/zinc/17/03/64/452170364.db2.gz CWWQLBKIJNORRN-IAGOWNOFSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C)OC3(CCCCC3)C2)CC1 ZINC000653907968 452170372 /nfs/dbraw/zinc/17/03/72/452170372.db2.gz CWWQLBKIJNORRN-IAGOWNOFSA-N 2 2 337.508 1.963 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000645183298 452199390 /nfs/dbraw/zinc/19/93/90/452199390.db2.gz UDSFIHVUCSJQQK-GJZGRUSLSA-N 2 2 336.505 1.152 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc(C)[nH+]1 ZINC000643436113 452218105 /nfs/dbraw/zinc/21/81/05/452218105.db2.gz IFCJVHINRCHZFQ-MRXNPFEDSA-N 2 2 341.415 1.375 20 0 EDADLP Clc1cnccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786887 452259500 /nfs/dbraw/zinc/25/95/00/452259500.db2.gz IZTFOBJNZKXRJY-MRXNPFEDSA-N 2 2 338.883 1.621 20 0 EDADLP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000641786287 452260093 /nfs/dbraw/zinc/26/00/93/452260093.db2.gz OZBVWRZABCQLGY-FGTMMUONSA-N 2 2 325.497 1.330 20 0 EDADLP C[NH+](C)C1(CNc2nc[nH+]c3c2OCCN3)Cc2ccccc2C1 ZINC000665702822 452261044 /nfs/dbraw/zinc/26/10/44/452261044.db2.gz PUAQRPOFLQZKES-UHFFFAOYSA-N 2 2 325.416 1.792 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)ccn1 ZINC000641788380 452266457 /nfs/dbraw/zinc/26/64/57/452266457.db2.gz ZHHLODYPZVHXOO-FUHWJXTLSA-N 2 2 348.491 1.537 20 0 EDADLP Fc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000641789767 452266830 /nfs/dbraw/zinc/26/68/30/452266830.db2.gz UNEAEWSVAOQTHD-KRWDZBQOSA-N 2 2 339.430 1.851 20 0 EDADLP Fc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1F ZINC000641789328 452266862 /nfs/dbraw/zinc/26/68/62/452266862.db2.gz BRFNSCUXTUEKIE-MRXNPFEDSA-N 2 2 339.430 1.851 20 0 EDADLP CCn1cc(C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cn1 ZINC000649813064 452275086 /nfs/dbraw/zinc/27/50/86/452275086.db2.gz VPGYOPCQJRCKFV-UHFFFAOYSA-N 2 2 347.507 1.856 20 0 EDADLP CCn1cc(C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cn1 ZINC000649813064 452275094 /nfs/dbraw/zinc/27/50/94/452275094.db2.gz VPGYOPCQJRCKFV-UHFFFAOYSA-N 2 2 347.507 1.856 20 0 EDADLP [NH3+]C1(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCC1 ZINC000659435688 452282384 /nfs/dbraw/zinc/28/23/84/452282384.db2.gz ZRSYDJAIJYJJRK-QGZVFWFLSA-N 2 2 346.475 1.631 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000647568884 452296992 /nfs/dbraw/zinc/29/69/92/452296992.db2.gz WDJFEUXEVWKONO-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP CCCN(C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568884 452297002 /nfs/dbraw/zinc/29/70/02/452297002.db2.gz WDJFEUXEVWKONO-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N[C@]2(C)CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000663584272 452310005 /nfs/dbraw/zinc/31/00/05/452310005.db2.gz GLIJKOLFVUMBIP-KBXCAEBGSA-N 2 2 332.448 1.953 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000638045921 452311477 /nfs/dbraw/zinc/31/14/77/452311477.db2.gz BRFPVDJRCZSLCX-UHFFFAOYSA-N 3 2 344.503 1.534 20 0 EDADLP CO[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@](C)(CO)C1 ZINC000640000035 452330949 /nfs/dbraw/zinc/33/09/49/452330949.db2.gz BOXKOYTUULZKFL-VQTJNVASSA-N 2 2 347.503 1.670 20 0 EDADLP CO[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@](C)(CO)C1 ZINC000640000035 452330960 /nfs/dbraw/zinc/33/09/60/452330960.db2.gz BOXKOYTUULZKFL-VQTJNVASSA-N 2 2 347.503 1.670 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)cc1F ZINC000638053907 452334886 /nfs/dbraw/zinc/33/48/86/452334886.db2.gz BTOBTZJDGXLBGK-OAHLLOKOSA-N 2 2 333.407 1.526 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc4c(c[nH+]3)OCCO4)CC2)C1 ZINC000638056382 452341578 /nfs/dbraw/zinc/34/15/78/452341578.db2.gz MEHWKYNGSVCRCV-MRXNPFEDSA-N 2 2 332.448 1.065 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CCN(Cc3cc4c(c[nH+]3)OCCO4)CC2)C1 ZINC000638056382 452341584 /nfs/dbraw/zinc/34/15/84/452341584.db2.gz MEHWKYNGSVCRCV-MRXNPFEDSA-N 2 2 332.448 1.065 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663628015 452364451 /nfs/dbraw/zinc/36/44/51/452364451.db2.gz CCFGXLNEHUJDTF-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663628015 452364460 /nfs/dbraw/zinc/36/44/60/452364460.db2.gz CCFGXLNEHUJDTF-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000661548737 452364798 /nfs/dbraw/zinc/36/47/98/452364798.db2.gz KABFPESJNYKHRT-UHFFFAOYSA-N 2 2 329.448 1.671 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000652172441 452365933 /nfs/dbraw/zinc/36/59/33/452365933.db2.gz ZRUQYKRSQGCGJA-HNNXBMFYSA-N 2 2 349.479 1.479 20 0 EDADLP C[N@@H+](Cc1cnc(N)nc1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638067654 452368698 /nfs/dbraw/zinc/36/86/98/452368698.db2.gz SMXUJCPLDPIDHB-HNNXBMFYSA-N 2 2 326.448 1.256 20 0 EDADLP C[N@H+](Cc1cnc(N)nc1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638067654 452368707 /nfs/dbraw/zinc/36/87/07/452368707.db2.gz SMXUJCPLDPIDHB-HNNXBMFYSA-N 2 2 326.448 1.256 20 0 EDADLP C[NH+](Cc1cnc(N)nc1N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638067654 452368717 /nfs/dbraw/zinc/36/87/17/452368717.db2.gz SMXUJCPLDPIDHB-HNNXBMFYSA-N 2 2 326.448 1.256 20 0 EDADLP C[NH+](Cc1cnc(N)nc1N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638067654 452368725 /nfs/dbraw/zinc/36/87/25/452368725.db2.gz SMXUJCPLDPIDHB-HNNXBMFYSA-N 2 2 326.448 1.256 20 0 EDADLP CN(Cc1c[nH+]c(N)nc1N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638067654 452368737 /nfs/dbraw/zinc/36/87/37/452368737.db2.gz SMXUJCPLDPIDHB-HNNXBMFYSA-N 2 2 326.448 1.256 20 0 EDADLP CN(Cc1c[nH+]c(N)nc1N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638067654 452368746 /nfs/dbraw/zinc/36/87/46/452368746.db2.gz SMXUJCPLDPIDHB-HNNXBMFYSA-N 2 2 326.448 1.256 20 0 EDADLP CC1(O)CCN(c2cc(N3CC[C@@H](C[NH+]4CCCC4)C3)nc[nH+]2)CC1 ZINC000663647709 452390677 /nfs/dbraw/zinc/39/06/77/452390677.db2.gz PIMGOJHDLIQQDU-INIZCTEOSA-N 2 2 345.491 1.750 20 0 EDADLP CC1(O)CCN(c2cc(N3CC[C@@H](C[NH+]4CCCC4)C3)[nH+]cn2)CC1 ZINC000663647709 452390688 /nfs/dbraw/zinc/39/06/88/452390688.db2.gz PIMGOJHDLIQQDU-INIZCTEOSA-N 2 2 345.491 1.750 20 0 EDADLP [NH3+]C[C@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCCOC1 ZINC000638079341 452396847 /nfs/dbraw/zinc/39/68/47/452396847.db2.gz MEFKENHLTLPZTQ-GOSISDBHSA-N 2 2 333.432 1.213 20 0 EDADLP CC1(F)CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000640075417 452410672 /nfs/dbraw/zinc/41/06/72/452410672.db2.gz VIJJTRXTLOPELT-UHFFFAOYSA-N 2 2 334.439 1.944 20 0 EDADLP C[C@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)c1[nH+]ccn1C ZINC000659558057 452414410 /nfs/dbraw/zinc/41/44/10/452414410.db2.gz WOFYGIOCJSFNMK-XZELYNGVSA-N 2 2 331.464 1.934 20 0 EDADLP [NH3+]C1(CNC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCCC1 ZINC000659571847 452427262 /nfs/dbraw/zinc/42/72/62/452427262.db2.gz WDGPRVNAEZALBU-UHFFFAOYSA-N 2 2 346.475 1.664 20 0 EDADLP C[C@@H]1C[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1O ZINC000661624442 452443453 /nfs/dbraw/zinc/44/34/53/452443453.db2.gz QFSHKYDFUIRPRE-IAGOWNOFSA-N 2 2 345.487 1.280 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2nsc3ccccc32)[C@@H](C[NH3+])C1 ZINC000659611397 452467568 /nfs/dbraw/zinc/46/75/68/452467568.db2.gz LEBYTSNLLVFNRT-LBPRGKRZSA-N 2 2 333.461 1.123 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000647762632 452497993 /nfs/dbraw/zinc/49/79/93/452497993.db2.gz OGFJHQLTSVMYCZ-HNNXBMFYSA-N 2 2 342.443 1.589 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000647762632 452498001 /nfs/dbraw/zinc/49/80/01/452498001.db2.gz OGFJHQLTSVMYCZ-HNNXBMFYSA-N 2 2 342.443 1.589 20 0 EDADLP c1cn2c(n1)[C@@H]([NH2+]CCC[NH+]1CCN(c3ncccn3)CC1)CCC2 ZINC000655686694 452509208 /nfs/dbraw/zinc/50/92/08/452509208.db2.gz ANTZKNXPUCYBCP-INIZCTEOSA-N 2 2 341.463 1.310 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000652345251 452517057 /nfs/dbraw/zinc/51/70/57/452517057.db2.gz FUSCGPIEIKDRCB-CQSZACIVSA-N 2 2 337.439 1.531 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000663791436 452522162 /nfs/dbraw/zinc/52/21/62/452522162.db2.gz JWAXDUFDCYOORE-YYIAUSFCSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000663791436 452522167 /nfs/dbraw/zinc/52/21/67/452522167.db2.gz JWAXDUFDCYOORE-YYIAUSFCSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000663791436 452522172 /nfs/dbraw/zinc/52/21/72/452522172.db2.gz JWAXDUFDCYOORE-YYIAUSFCSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000663791436 452522180 /nfs/dbraw/zinc/52/21/80/452522180.db2.gz JWAXDUFDCYOORE-YYIAUSFCSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350755 452525072 /nfs/dbraw/zinc/52/50/72/452525072.db2.gz FGILPTFSZAQMFA-VBHSOAQHSA-N 2 2 331.416 1.803 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350755 452525080 /nfs/dbraw/zinc/52/50/80/452525080.db2.gz FGILPTFSZAQMFA-VBHSOAQHSA-N 2 2 331.416 1.803 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652352247 452530027 /nfs/dbraw/zinc/53/00/27/452530027.db2.gz WYNVTBCORGFALR-YOEHRIQHSA-N 2 2 338.473 1.530 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652352247 452530030 /nfs/dbraw/zinc/53/00/30/452530030.db2.gz WYNVTBCORGFALR-YOEHRIQHSA-N 2 2 338.473 1.530 20 0 EDADLP c1cc(CN2CCOCC2)[nH+]c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655749074 452557785 /nfs/dbraw/zinc/55/77/85/452557785.db2.gz OSEKMPAXKIJPAU-GOSISDBHSA-N 2 2 346.475 1.579 20 0 EDADLP c1cc(C[NH+]2CCOCC2)nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655749074 452557793 /nfs/dbraw/zinc/55/77/93/452557793.db2.gz OSEKMPAXKIJPAU-GOSISDBHSA-N 2 2 346.475 1.579 20 0 EDADLP Cc1cc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)n[nH]1 ZINC000655757768 452561434 /nfs/dbraw/zinc/56/14/34/452561434.db2.gz KYAYXIKRGWLWOC-QGZVFWFLSA-N 2 2 333.480 1.530 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655830171 452602607 /nfs/dbraw/zinc/60/26/07/452602607.db2.gz UAZKTKFOGZBVDT-KYJSFNMBSA-N 2 2 325.460 1.783 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655830171 452602614 /nfs/dbraw/zinc/60/26/14/452602614.db2.gz UAZKTKFOGZBVDT-KYJSFNMBSA-N 2 2 325.460 1.783 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@H](CNc3nc[nH+]c4c3OCCN4)C2)cc1 ZINC000647866806 452605182 /nfs/dbraw/zinc/60/51/82/452605182.db2.gz KURPUKGFIVXZRO-MRXNPFEDSA-N 2 2 339.443 2.257 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@H](CNc3nc[nH+]c4c3OCCN4)C2)cc1 ZINC000647866806 452605189 /nfs/dbraw/zinc/60/51/89/452605189.db2.gz KURPUKGFIVXZRO-MRXNPFEDSA-N 2 2 339.443 2.257 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@H](CNc3[nH+]cnc4c3OCCN4)C2)cc1 ZINC000647866806 452605198 /nfs/dbraw/zinc/60/51/98/452605198.db2.gz KURPUKGFIVXZRO-MRXNPFEDSA-N 2 2 339.443 2.257 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@H](CNc3[nH+]cnc4c3OCCN4)C2)cc1 ZINC000647866806 452605208 /nfs/dbraw/zinc/60/52/08/452605208.db2.gz KURPUKGFIVXZRO-MRXNPFEDSA-N 2 2 339.443 2.257 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901569 452643991 /nfs/dbraw/zinc/64/39/91/452643991.db2.gz QPDJPVIJOPAAAO-ROUUACIJSA-N 2 2 345.487 1.818 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901569 452643995 /nfs/dbraw/zinc/64/39/95/452643995.db2.gz QPDJPVIJOPAAAO-ROUUACIJSA-N 2 2 345.487 1.818 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1noc(C)n1)[C@H]1CC12CC[NH2+]CC2 ZINC000647918836 452655175 /nfs/dbraw/zinc/65/51/75/452655175.db2.gz OBRBMXYXGKYFCB-AWEZNQCLSA-N 2 2 330.436 1.739 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925842 452662961 /nfs/dbraw/zinc/66/29/61/452662961.db2.gz ZNCBIKUOYYJRFM-KGLIPLIRSA-N 2 2 333.432 1.144 20 0 EDADLP CC[C@H]1C[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647936891 452675585 /nfs/dbraw/zinc/67/55/85/452675585.db2.gz MWWPBRZUVKRNNC-YOEHRIQHSA-N 2 2 340.489 1.918 20 0 EDADLP CC[C@H]1C[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647936891 452675590 /nfs/dbraw/zinc/67/55/90/452675590.db2.gz MWWPBRZUVKRNNC-YOEHRIQHSA-N 2 2 340.489 1.918 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647938621 452678160 /nfs/dbraw/zinc/67/81/60/452678160.db2.gz QSIXXTADCBSKRR-CJNGLKHVSA-N 2 2 339.867 1.894 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647938621 452678168 /nfs/dbraw/zinc/67/81/68/452678168.db2.gz QSIXXTADCBSKRR-CJNGLKHVSA-N 2 2 339.867 1.894 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647938998 452678616 /nfs/dbraw/zinc/67/86/16/452678616.db2.gz YRLLGIXFTCYJLX-CVEARBPZSA-N 2 2 346.475 1.363 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647938998 452678626 /nfs/dbraw/zinc/67/86/26/452678626.db2.gz YRLLGIXFTCYJLX-CVEARBPZSA-N 2 2 346.475 1.363 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000645688626 452691279 /nfs/dbraw/zinc/69/12/79/452691279.db2.gz PGMSDHMJDSQDHP-HNNXBMFYSA-N 2 2 342.399 1.440 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000645688626 452691283 /nfs/dbraw/zinc/69/12/83/452691283.db2.gz PGMSDHMJDSQDHP-HNNXBMFYSA-N 2 2 342.399 1.440 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H]1CC[N@H+](C)C1 ZINC000658041257 452699808 /nfs/dbraw/zinc/69/98/08/452699808.db2.gz XPZVEKMCXBLUMG-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1)[C@H]1CC[N@@H+](C)C1 ZINC000658041257 452699816 /nfs/dbraw/zinc/69/98/16/452699816.db2.gz XPZVEKMCXBLUMG-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CCCC2)[C@@H](C)CO1 ZINC000664006592 452707235 /nfs/dbraw/zinc/70/72/35/452707235.db2.gz JBDCCPOLMJTSIW-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CCCC2)[C@@H](C)CO1 ZINC000664006592 452707243 /nfs/dbraw/zinc/70/72/43/452707243.db2.gz JBDCCPOLMJTSIW-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CCCC2)[C@@H](C)CO1 ZINC000664006592 452707254 /nfs/dbraw/zinc/70/72/54/452707254.db2.gz JBDCCPOLMJTSIW-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CCCC2)[C@@H](C)CO1 ZINC000664006592 452707261 /nfs/dbraw/zinc/70/72/61/452707261.db2.gz JBDCCPOLMJTSIW-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000659852828 452737033 /nfs/dbraw/zinc/73/70/33/452737033.db2.gz CCLXEHMMINPGKE-MRXNPFEDSA-N 2 2 339.505 1.643 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000659852828 452737041 /nfs/dbraw/zinc/73/70/41/452737041.db2.gz CCLXEHMMINPGKE-MRXNPFEDSA-N 2 2 339.505 1.643 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000661997965 452752247 /nfs/dbraw/zinc/75/22/47/452752247.db2.gz RNKKDQCMJFROIF-HNNXBMFYSA-N 2 2 335.492 1.430 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000661997965 452752257 /nfs/dbraw/zinc/75/22/57/452752257.db2.gz RNKKDQCMJFROIF-HNNXBMFYSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@@]1(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1(F)F ZINC000658219868 452793466 /nfs/dbraw/zinc/79/34/66/452793466.db2.gz JSTCEGGZNCZYSH-MRXNPFEDSA-N 2 2 331.451 1.808 20 0 EDADLP C[C@@]1(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1(F)F ZINC000658219868 452793469 /nfs/dbraw/zinc/79/34/69/452793469.db2.gz JSTCEGGZNCZYSH-MRXNPFEDSA-N 2 2 331.451 1.808 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662049016 452797681 /nfs/dbraw/zinc/79/76/81/452797681.db2.gz NXCSLQBJTIZZRU-GOSISDBHSA-N 2 2 348.487 1.785 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662049016 452797689 /nfs/dbraw/zinc/79/76/89/452797689.db2.gz NXCSLQBJTIZZRU-GOSISDBHSA-N 2 2 348.487 1.785 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000659909413 452797715 /nfs/dbraw/zinc/79/77/15/452797715.db2.gz KILPSCZGIOAUOM-MRXNPFEDSA-N 2 2 349.527 1.073 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000659909413 452797724 /nfs/dbraw/zinc/79/77/24/452797724.db2.gz KILPSCZGIOAUOM-MRXNPFEDSA-N 2 2 349.527 1.073 20 0 EDADLP Cc1ccnc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000656013076 452802026 /nfs/dbraw/zinc/80/20/26/452802026.db2.gz JYZBKKDVTKHDDS-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1ccnc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000656013076 452802038 /nfs/dbraw/zinc/80/20/38/452802038.db2.gz JYZBKKDVTKHDDS-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP c1cnc(N2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cn1 ZINC000658291599 452833876 /nfs/dbraw/zinc/83/38/76/452833876.db2.gz ATSFLHIOCZVXKX-QGZVFWFLSA-N 2 2 331.464 1.288 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000662094692 452836732 /nfs/dbraw/zinc/83/67/32/452836732.db2.gz CYHYDMRXWNRLRF-ZDUSSCGKSA-N 2 2 344.419 1.417 20 0 EDADLP Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000658333708 452851491 /nfs/dbraw/zinc/85/14/91/452851491.db2.gz RCJKFSRGOGUOTE-HNNXBMFYSA-N 2 2 334.464 1.322 20 0 EDADLP Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658333708 452851505 /nfs/dbraw/zinc/85/15/05/452851505.db2.gz RCJKFSRGOGUOTE-HNNXBMFYSA-N 2 2 334.464 1.322 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154313 452892274 /nfs/dbraw/zinc/89/22/74/452892274.db2.gz ANUQPRVBRAQGMD-YJBOKZPZSA-N 2 2 337.508 1.697 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154313 452892278 /nfs/dbraw/zinc/89/22/78/452892278.db2.gz ANUQPRVBRAQGMD-YJBOKZPZSA-N 2 2 337.508 1.697 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664223741 452900873 /nfs/dbraw/zinc/90/08/73/452900873.db2.gz CDWYKXBLVVSVPP-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000664223741 452900877 /nfs/dbraw/zinc/90/08/77/452900877.db2.gz CDWYKXBLVVSVPP-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(O)c(F)c3)C2)CC1 ZINC000648316141 452998619 /nfs/dbraw/zinc/99/86/19/452998619.db2.gz IFUAGTABPZSZLQ-AWEZNQCLSA-N 2 2 335.423 1.359 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(O)c(F)c3)C2)CC1 ZINC000648316141 452998623 /nfs/dbraw/zinc/99/86/23/452998623.db2.gz IFUAGTABPZSZLQ-AWEZNQCLSA-N 2 2 335.423 1.359 20 0 EDADLP FC(F)(F)c1ccc(N2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662275865 453001637 /nfs/dbraw/zinc/00/16/37/453001637.db2.gz BNUHWPUEQLZGRH-HNNXBMFYSA-N 2 2 329.366 1.816 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000662279595 453005254 /nfs/dbraw/zinc/00/52/54/453005254.db2.gz AGJRTFNOKNKWAM-KSSFIOAISA-N 2 2 340.427 1.973 20 0 EDADLP CN1CCc2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000664330725 453006254 /nfs/dbraw/zinc/00/62/54/453006254.db2.gz MCZOJHPZGUVQTI-UHFFFAOYSA-N 2 2 333.480 1.684 20 0 EDADLP CN1CCc2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000664330725 453006262 /nfs/dbraw/zinc/00/62/62/453006262.db2.gz MCZOJHPZGUVQTI-UHFFFAOYSA-N 2 2 333.480 1.684 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658469340 453007350 /nfs/dbraw/zinc/00/73/50/453007350.db2.gz ZXZVNDBHLDKNRZ-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658469340 453007357 /nfs/dbraw/zinc/00/73/57/453007357.db2.gz ZXZVNDBHLDKNRZ-OAHLLOKOSA-N 2 2 343.431 1.524 20 0 EDADLP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285406 453009942 /nfs/dbraw/zinc/00/99/42/453009942.db2.gz GVBSGVWPLJUMOR-UHFFFAOYSA-N 2 2 333.476 1.438 20 0 EDADLP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000654890309 453010505 /nfs/dbraw/zinc/01/05/05/453010505.db2.gz REZPSSJMYXUJGK-MOPGFXCFSA-N 2 2 343.471 1.442 20 0 EDADLP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000654890309 453010514 /nfs/dbraw/zinc/01/05/14/453010514.db2.gz REZPSSJMYXUJGK-MOPGFXCFSA-N 2 2 343.471 1.442 20 0 EDADLP CCN(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)[C@H](C)c1ccc(F)cc1 ZINC000662287392 453011626 /nfs/dbraw/zinc/01/16/26/453011626.db2.gz ZPWDTRMRANFHPN-CQSZACIVSA-N 2 2 337.439 1.439 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000646022716 453018788 /nfs/dbraw/zinc/01/87/88/453018788.db2.gz BDRPRKOYRWVANL-IBGZPJMESA-N 2 2 344.459 1.650 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)[C@H]1C ZINC000662318152 453034026 /nfs/dbraw/zinc/03/40/26/453034026.db2.gz WJEZHRMWWZQYMA-XDNAFOTISA-N 2 2 339.524 1.970 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)[C@H]1C ZINC000662318152 453034040 /nfs/dbraw/zinc/03/40/40/453034040.db2.gz WJEZHRMWWZQYMA-XDNAFOTISA-N 2 2 339.524 1.970 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C(C)(C)C1 ZINC000650830081 453035364 /nfs/dbraw/zinc/03/53/64/453035364.db2.gz ODTCHSWBQGYXOZ-UHFFFAOYSA-N 2 2 344.459 1.914 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C(C)(C)C1 ZINC000650830081 453035369 /nfs/dbraw/zinc/03/53/69/453035369.db2.gz ODTCHSWBQGYXOZ-UHFFFAOYSA-N 2 2 344.459 1.914 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000662319516 453036632 /nfs/dbraw/zinc/03/66/32/453036632.db2.gz JLIUVGXFKGSINQ-CRAIPNDOSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000662319516 453036640 /nfs/dbraw/zinc/03/66/40/453036640.db2.gz JLIUVGXFKGSINQ-CRAIPNDOSA-N 2 2 337.508 1.819 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662367548 453078668 /nfs/dbraw/zinc/07/86/68/453078668.db2.gz KBFHMNJTCLELSY-SNVBAGLBSA-N 2 2 344.806 1.718 20 0 EDADLP CC[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000648438558 453086600 /nfs/dbraw/zinc/08/66/00/453086600.db2.gz FUXSCYSZSXMLHH-SJORKVTESA-N 2 2 346.475 1.668 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCc3sccc3C1)CCO2 ZINC000646102958 453103001 /nfs/dbraw/zinc/10/30/01/453103001.db2.gz YTNGXTKMDRAWND-UHFFFAOYSA-N 2 2 349.500 1.429 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCc3sccc3C1)CCO2 ZINC000646102958 453103011 /nfs/dbraw/zinc/10/30/11/453103011.db2.gz YTNGXTKMDRAWND-UHFFFAOYSA-N 2 2 349.500 1.429 20 0 EDADLP Cc1noc(C)c1CO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660283342 453172973 /nfs/dbraw/zinc/17/29/73/453172973.db2.gz HTFCXRRMLHOWDU-HOTGVXAUSA-N 2 2 325.453 1.583 20 0 EDADLP CC[C@H](COCC1CC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537922 453178982 /nfs/dbraw/zinc/17/89/82/453178982.db2.gz URWSJXWWEZOONT-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](O)[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000664540159 453180064 /nfs/dbraw/zinc/18/00/64/453180064.db2.gz VAWKNNTYYHFTPW-YJBOKZPZSA-N 2 2 348.491 1.434 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC/C=C/C[NH3+])C[C@H](C)O1 ZINC000666841344 453184033 /nfs/dbraw/zinc/18/40/33/453184033.db2.gz NNKLTCDDZSHQNA-FKZIUMHTSA-N 2 2 332.448 1.932 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC/C=C/C[NH3+])C[C@H](C)O1 ZINC000666841344 453184042 /nfs/dbraw/zinc/18/40/42/453184042.db2.gz NNKLTCDDZSHQNA-FKZIUMHTSA-N 2 2 332.448 1.932 20 0 EDADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000655070401 453193690 /nfs/dbraw/zinc/19/36/90/453193690.db2.gz AHMNJFJSGABUSX-GOEBONIOSA-N 2 2 334.489 1.532 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662506925 453222412 /nfs/dbraw/zinc/22/24/12/453222412.db2.gz OSJWKHVTHLRJSD-CQSZACIVSA-N 2 2 341.415 1.545 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CC[N@@H+]1C ZINC000648735623 453223334 /nfs/dbraw/zinc/22/33/34/453223334.db2.gz YTGZSIYTHFHPEO-KCYZZUKISA-N 2 2 346.475 1.652 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CC[N@H+]1C ZINC000648735623 453223344 /nfs/dbraw/zinc/22/33/44/453223344.db2.gz YTGZSIYTHFHPEO-KCYZZUKISA-N 2 2 346.475 1.652 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664598428 453232238 /nfs/dbraw/zinc/23/22/38/453232238.db2.gz UGJCQACLWBZORE-HNNXBMFYSA-N 2 2 332.448 1.706 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664598428 453232245 /nfs/dbraw/zinc/23/22/45/453232245.db2.gz UGJCQACLWBZORE-HNNXBMFYSA-N 2 2 332.448 1.706 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660344011 453233062 /nfs/dbraw/zinc/23/30/62/453233062.db2.gz BBTVKSICSKQIGE-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660344011 453233070 /nfs/dbraw/zinc/23/30/70/453233070.db2.gz BBTVKSICSKQIGE-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP CNc1nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)[nH+]c2ccccc21 ZINC000664597056 453233085 /nfs/dbraw/zinc/23/30/85/453233085.db2.gz NACFDCJWJRSXCD-CQSZACIVSA-N 2 2 327.432 1.707 20 0 EDADLP CNc1nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)[nH+]c2ccccc21 ZINC000664597056 453233090 /nfs/dbraw/zinc/23/30/90/453233090.db2.gz NACFDCJWJRSXCD-CQSZACIVSA-N 2 2 327.432 1.707 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000653061091 453237104 /nfs/dbraw/zinc/23/71/04/453237104.db2.gz AUWFTTYXZNLOCR-OAHLLOKOSA-N 2 2 327.432 1.967 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000653063841 453239806 /nfs/dbraw/zinc/23/98/06/453239806.db2.gz YKKUACIUFLXWBC-CYBMUJFWSA-N 2 2 333.354 1.523 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cn21 ZINC000646234889 453245286 /nfs/dbraw/zinc/24/52/86/453245286.db2.gz UIRIYDTUPAWNID-GOEBONIOSA-N 2 2 327.432 1.579 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cn21 ZINC000646234890 453245339 /nfs/dbraw/zinc/24/53/39/453245339.db2.gz UIRIYDTUPAWNID-HOCLYGCPSA-N 2 2 327.432 1.579 20 0 EDADLP CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653073588 453251067 /nfs/dbraw/zinc/25/10/67/453251067.db2.gz FVTSMEKLXHJKET-KRWDZBQOSA-N 2 2 343.475 1.747 20 0 EDADLP C[C@H](CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)n1cc[nH+]c1 ZINC000651087037 453257635 /nfs/dbraw/zinc/25/76/35/453257635.db2.gz QSVIHUIFUBUDPV-QGZVFWFLSA-N 2 2 341.459 1.773 20 0 EDADLP CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nc(-c2ccccc2)c[nH]1 ZINC000653078869 453258908 /nfs/dbraw/zinc/25/89/08/453258908.db2.gz LXSWAQIHQGIUCL-LSDHHAIUSA-N 2 2 329.448 1.923 20 0 EDADLP Cc1nc(N2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)cc[nH+]1 ZINC000662536140 453259630 /nfs/dbraw/zinc/25/96/30/453259630.db2.gz VUBUVBZDDZPVST-QGZVFWFLSA-N 2 2 337.427 1.668 20 0 EDADLP CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780020 453260772 /nfs/dbraw/zinc/26/07/72/453260772.db2.gz PVANEYVVPATQGD-BZSNNMDCSA-N 2 2 337.508 1.674 20 0 EDADLP CC(C)[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780020 453260778 /nfs/dbraw/zinc/26/07/78/453260778.db2.gz PVANEYVVPATQGD-BZSNNMDCSA-N 2 2 337.508 1.674 20 0 EDADLP COc1ccc(OC(F)F)c(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653102192 453284973 /nfs/dbraw/zinc/28/49/73/453284973.db2.gz QNNQIABLNVBOSQ-GFCCVEGCSA-N 2 2 331.363 1.192 20 0 EDADLP Cc1cc(N2CCSCC2)ccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653114348 453301128 /nfs/dbraw/zinc/30/11/28/453301128.db2.gz FNAFZNFLBGRDIS-HNNXBMFYSA-N 2 2 336.505 1.766 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000653113721 453301550 /nfs/dbraw/zinc/30/15/50/453301550.db2.gz MPHSEJMTYAESBF-MLGOLLRUSA-N 2 2 340.418 1.186 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000653117422 453304418 /nfs/dbraw/zinc/30/44/18/453304418.db2.gz LJPWLFGQNWTWLC-QGZVFWFLSA-N 3 2 332.492 1.388 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000653117422 453304427 /nfs/dbraw/zinc/30/44/27/453304427.db2.gz LJPWLFGQNWTWLC-QGZVFWFLSA-N 3 2 332.492 1.388 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1cnccn1 ZINC000660481651 453337054 /nfs/dbraw/zinc/33/70/54/453337054.db2.gz UPGKBCYIEXBBRQ-CQSZACIVSA-N 2 2 340.431 1.828 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1cnccn1 ZINC000660481651 453337058 /nfs/dbraw/zinc/33/70/58/453337058.db2.gz UPGKBCYIEXBBRQ-CQSZACIVSA-N 2 2 340.431 1.828 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664714296 453341770 /nfs/dbraw/zinc/34/17/70/453341770.db2.gz ULKUSTBBKSORDW-HZPDHXFCSA-N 2 2 347.463 1.094 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)[C@@H](C)CO1 ZINC000662632373 453346432 /nfs/dbraw/zinc/34/64/32/453346432.db2.gz CQMKXQXJAZFRPQ-GJZGRUSLSA-N 2 2 331.460 1.214 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)[C@@H](C)CO1 ZINC000662632373 453346439 /nfs/dbraw/zinc/34/64/39/453346439.db2.gz CQMKXQXJAZFRPQ-GJZGRUSLSA-N 2 2 331.460 1.214 20 0 EDADLP C[C@@H]1C[C@H](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000653158197 453350897 /nfs/dbraw/zinc/35/08/97/453350897.db2.gz XIJJXWBTUQAQSC-NZSAHSFTSA-N 3 2 346.519 1.682 20 0 EDADLP C[C@@H]1C[C@H](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000653158197 453350908 /nfs/dbraw/zinc/35/09/08/453350908.db2.gz XIJJXWBTUQAQSC-NZSAHSFTSA-N 3 2 346.519 1.682 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646381198 453358108 /nfs/dbraw/zinc/35/81/08/453358108.db2.gz JQFREYHJIXDQPM-GJZGRUSLSA-N 2 2 340.431 1.514 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)c2[nH+]ccn2C)c1 ZINC000662669902 453384886 /nfs/dbraw/zinc/38/48/86/453384886.db2.gz GZXAAKAROOWLBS-XJKCOSOUSA-N 2 2 344.415 1.380 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646443027 453387504 /nfs/dbraw/zinc/38/75/04/453387504.db2.gz BFAKJOBSDGSGSG-SJORKVTESA-N 2 2 341.415 1.203 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646443027 453387512 /nfs/dbraw/zinc/38/75/12/453387512.db2.gz BFAKJOBSDGSGSG-SJORKVTESA-N 2 2 341.415 1.203 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651261646 453403244 /nfs/dbraw/zinc/40/32/44/453403244.db2.gz RUILQKDQQZMNIS-VQHPVUNQSA-N 2 2 336.480 1.116 20 0 EDADLP CN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651261646 453403248 /nfs/dbraw/zinc/40/32/48/453403248.db2.gz RUILQKDQQZMNIS-VQHPVUNQSA-N 2 2 336.480 1.116 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000648931583 453408377 /nfs/dbraw/zinc/40/83/77/453408377.db2.gz GJDPQHQBWFUTLS-OAHLLOKOSA-N 2 2 336.480 1.966 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)on1 ZINC000662691411 453412661 /nfs/dbraw/zinc/41/26/61/453412661.db2.gz RNRPOIDBMJKPKY-UHFFFAOYSA-N 2 2 344.415 1.953 20 0 EDADLP CCCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000648998106 453462977 /nfs/dbraw/zinc/46/29/77/453462977.db2.gz DSJZVKCQSOZBCU-KRWDZBQOSA-N 2 2 347.507 1.575 20 0 EDADLP CCCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000648998106 453462984 /nfs/dbraw/zinc/46/29/84/453462984.db2.gz DSJZVKCQSOZBCU-KRWDZBQOSA-N 2 2 347.507 1.575 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)[C@H](C[NH3+])C1 ZINC000667193204 453466883 /nfs/dbraw/zinc/46/68/83/453466883.db2.gz UBNWSKRHRNYABM-CQSZACIVSA-N 2 2 326.404 1.250 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662745123 453474139 /nfs/dbraw/zinc/47/41/39/453474139.db2.gz VFTGMMXXMAQHEM-FHWLQOOXSA-N 2 2 344.503 1.307 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662745123 453474147 /nfs/dbraw/zinc/47/41/47/453474147.db2.gz VFTGMMXXMAQHEM-FHWLQOOXSA-N 2 2 344.503 1.307 20 0 EDADLP COCC1([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCOCC1 ZINC000660636501 453478441 /nfs/dbraw/zinc/47/84/41/453478441.db2.gz URBHEGKLVGCWMG-INIZCTEOSA-N 2 2 347.459 1.799 20 0 EDADLP CC[N@@H+](Cc1nc(-c2ccnc(N3CC[NH+](C)CC3)c2)no1)C1CC1 ZINC000664932125 453496368 /nfs/dbraw/zinc/49/63/68/453496368.db2.gz PSEVHSZNLGSKHE-UHFFFAOYSA-N 2 2 342.447 1.868 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000660660560 453499068 /nfs/dbraw/zinc/49/90/68/453499068.db2.gz XAWGQHAQEOUWBO-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000660660560 453499074 /nfs/dbraw/zinc/49/90/74/453499074.db2.gz XAWGQHAQEOUWBO-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000660660560 453499084 /nfs/dbraw/zinc/49/90/84/453499084.db2.gz XAWGQHAQEOUWBO-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C2 ZINC000660660560 453499091 /nfs/dbraw/zinc/49/90/91/453499091.db2.gz XAWGQHAQEOUWBO-IBGZPJMESA-N 2 2 349.450 1.738 20 0 EDADLP CC[C@H](C)c1nc(C)c(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000655419073 453514576 /nfs/dbraw/zinc/51/45/76/453514576.db2.gz KYSKYMZCZAYJBL-WFASDCNBSA-N 2 2 333.480 1.251 20 0 EDADLP CC[C@H](C)c1nc(C)c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000655419073 453514591 /nfs/dbraw/zinc/51/45/91/453514591.db2.gz KYSKYMZCZAYJBL-WFASDCNBSA-N 2 2 333.480 1.251 20 0 EDADLP CN(C)c1cc(F)cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000667288201 453536140 /nfs/dbraw/zinc/53/61/40/453536140.db2.gz BQFHOWSPXFMQOE-UHFFFAOYSA-N 2 2 339.459 1.897 20 0 EDADLP CN(C)c1cc(F)cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000667288201 453536145 /nfs/dbraw/zinc/53/61/45/453536145.db2.gz BQFHOWSPXFMQOE-UHFFFAOYSA-N 2 2 339.459 1.897 20 0 EDADLP O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000667295627 453542813 /nfs/dbraw/zinc/54/28/13/453542813.db2.gz XWDFWCHJOUTLJK-UHFFFAOYSA-N 2 2 340.383 1.681 20 0 EDADLP CO[C@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665117011 453580560 /nfs/dbraw/zinc/58/05/60/453580560.db2.gz BGZQXNHMDPQRNI-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP CO[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665117011 453580561 /nfs/dbraw/zinc/58/05/61/453580561.db2.gz BGZQXNHMDPQRNI-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000659027350 453587504 /nfs/dbraw/zinc/58/75/04/453587504.db2.gz ZONFOLBOHPKMAZ-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000659027350 453587506 /nfs/dbraw/zinc/58/75/06/453587506.db2.gz ZONFOLBOHPKMAZ-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP C[C@H](NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1[nH+]ccn1C ZINC000659042060 453595607 /nfs/dbraw/zinc/59/56/07/453595607.db2.gz RVVOIEKJWVNZBB-WFASDCNBSA-N 2 2 329.404 1.964 20 0 EDADLP C[C@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000659042762 453596072 /nfs/dbraw/zinc/59/60/72/453596072.db2.gz WOKIYORKTZVIGC-XKQJLSEDSA-N 2 2 348.447 1.188 20 0 EDADLP C[C@H](NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000659042762 453596077 /nfs/dbraw/zinc/59/60/77/453596077.db2.gz WOKIYORKTZVIGC-XKQJLSEDSA-N 2 2 348.447 1.188 20 0 EDADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233561 453617332 /nfs/dbraw/zinc/61/73/32/453617332.db2.gz KSBFECPDYJMNOB-RTBURBONSA-N 3 2 337.508 1.234 20 0 EDADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000665249718 453623782 /nfs/dbraw/zinc/62/37/82/453623782.db2.gz XPQUHEMCIKGMKT-ZDUSSCGKSA-N 2 2 325.478 1.859 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000659115753 453645503 /nfs/dbraw/zinc/64/55/03/453645503.db2.gz ZZPAWDRWOHXPKF-LBPRGKRZSA-N 2 2 343.431 1.425 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000660931529 453650521 /nfs/dbraw/zinc/65/05/21/453650521.db2.gz PKGIVCSWNACWRI-GDBMZVCRSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000660931529 453650526 /nfs/dbraw/zinc/65/05/26/453650526.db2.gz PKGIVCSWNACWRI-GDBMZVCRSA-N 2 2 347.463 1.200 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000660968092 453665044 /nfs/dbraw/zinc/66/50/44/453665044.db2.gz XWSHKINHKFGRHZ-UHFFFAOYSA-N 2 2 332.408 1.087 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000660968092 453665049 /nfs/dbraw/zinc/66/50/49/453665049.db2.gz XWSHKINHKFGRHZ-UHFFFAOYSA-N 2 2 332.408 1.087 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000665462144 453701716 /nfs/dbraw/zinc/70/17/16/453701716.db2.gz GOTWXOKAQBUHBF-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000665462144 453701720 /nfs/dbraw/zinc/70/17/20/453701720.db2.gz GOTWXOKAQBUHBF-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000665462144 453701725 /nfs/dbraw/zinc/70/17/25/453701725.db2.gz GOTWXOKAQBUHBF-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000665462144 453701728 /nfs/dbraw/zinc/70/17/28/453701728.db2.gz GOTWXOKAQBUHBF-FUHWJXTLSA-N 2 2 331.460 1.728 20 0 EDADLP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1c[nH+]c[nH]1 ZINC000661087042 453708557 /nfs/dbraw/zinc/70/85/57/453708557.db2.gz MQAVBFJZNZQEHP-UHFFFAOYSA-N 2 2 341.459 1.754 20 0 EDADLP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1c[nH]c[nH+]1 ZINC000661087042 453708561 /nfs/dbraw/zinc/70/85/61/453708561.db2.gz MQAVBFJZNZQEHP-UHFFFAOYSA-N 2 2 341.459 1.754 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCc4n[nH]cc4C3)C2)CC1 ZINC000663181886 453718463 /nfs/dbraw/zinc/71/84/63/453718463.db2.gz AEDWQYUYZHLYAJ-HNNXBMFYSA-N 2 2 346.479 1.036 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCc4n[nH]cc4C3)C2)CC1 ZINC000663181886 453718465 /nfs/dbraw/zinc/71/84/65/453718465.db2.gz AEDWQYUYZHLYAJ-HNNXBMFYSA-N 2 2 346.479 1.036 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)c1 ZINC000665536349 453736416 /nfs/dbraw/zinc/73/64/16/453736416.db2.gz OWXITCICWRQFKL-KDOFPFPSSA-N 2 2 342.443 1.942 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[NH+](C)C)c1 ZINC000665536349 453736422 /nfs/dbraw/zinc/73/64/22/453736422.db2.gz OWXITCICWRQFKL-KDOFPFPSSA-N 2 2 342.443 1.942 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000663240194 453743766 /nfs/dbraw/zinc/74/37/66/453743766.db2.gz ZPPWVSGYEXJTFN-KRWDZBQOSA-N 2 2 327.432 1.847 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000663240194 453743769 /nfs/dbraw/zinc/74/37/69/453743769.db2.gz ZPPWVSGYEXJTFN-KRWDZBQOSA-N 2 2 327.432 1.847 20 0 EDADLP C[NH+]1CCN(CCC[NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657296071 453759184 /nfs/dbraw/zinc/75/91/84/453759184.db2.gz QMTQUOXVHROZRK-UHFFFAOYSA-N 2 2 345.260 1.710 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2COC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000657294518 453759508 /nfs/dbraw/zinc/75/95/08/453759508.db2.gz GSBDSBJBBXZVOR-SJORKVTESA-N 2 2 349.500 1.503 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2COC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000657294518 453759513 /nfs/dbraw/zinc/75/95/13/453759513.db2.gz GSBDSBJBBXZVOR-SJORKVTESA-N 2 2 349.500 1.503 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657371789 453776863 /nfs/dbraw/zinc/77/68/63/453776863.db2.gz NAFVWZBSKCEKJN-OALUTQOASA-N 2 2 340.471 1.802 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657371789 453776864 /nfs/dbraw/zinc/77/68/64/453776864.db2.gz NAFVWZBSKCEKJN-OALUTQOASA-N 2 2 340.471 1.802 20 0 EDADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000663365276 453780581 /nfs/dbraw/zinc/78/05/81/453780581.db2.gz OWSCWJNONBGNPR-SJORKVTESA-N 2 2 335.448 1.459 20 0 EDADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000663365276 453780584 /nfs/dbraw/zinc/78/05/84/453780584.db2.gz OWSCWJNONBGNPR-SJORKVTESA-N 2 2 335.448 1.459 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)CO1 ZINC000663447693 453801389 /nfs/dbraw/zinc/80/13/89/453801389.db2.gz IQSCIMHLMFOMEZ-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)CO1 ZINC000663447693 453801391 /nfs/dbraw/zinc/80/13/91/453801391.db2.gz IQSCIMHLMFOMEZ-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663460658 453803814 /nfs/dbraw/zinc/80/38/14/453803814.db2.gz CJWHGEYJJDCKOQ-INIZCTEOSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663460658 453803815 /nfs/dbraw/zinc/80/38/15/453803815.db2.gz CJWHGEYJJDCKOQ-INIZCTEOSA-N 2 2 343.431 1.075 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCCC2)[C@@H](C)CO1 ZINC000663500120 453811104 /nfs/dbraw/zinc/81/11/04/453811104.db2.gz OTIYVBMPASBNHZ-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCCC2)[C@@H](C)CO1 ZINC000663500120 453811107 /nfs/dbraw/zinc/81/11/07/453811107.db2.gz OTIYVBMPASBNHZ-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(C)[nH+]1 ZINC000663518490 453814974 /nfs/dbraw/zinc/81/49/74/453814974.db2.gz MHLCCNMBYQUJJP-OAHLLOKOSA-N 2 2 332.448 1.934 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663530122 453816927 /nfs/dbraw/zinc/81/69/27/453816927.db2.gz ILVDJUYXNBJDBS-UHFFFAOYSA-N 2 2 333.480 1.795 20 0 EDADLP CC(C)[NH2+]C1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663530122 453816929 /nfs/dbraw/zinc/81/69/29/453816929.db2.gz ILVDJUYXNBJDBS-UHFFFAOYSA-N 2 2 333.480 1.795 20 0 EDADLP C[NH+]1CCN(C(=O)CN[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000679937268 486675858 /nfs/dbraw/zinc/67/58/58/486675858.db2.gz DIDNOJVTGAYSGW-LJQANCHMSA-N 2 2 344.503 1.577 20 0 EDADLP CCc1nnc(C)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680580095 486818266 /nfs/dbraw/zinc/81/82/66/486818266.db2.gz PQHBLHOEQNZGRS-INIZCTEOSA-N 2 2 345.491 1.588 20 0 EDADLP CCc1nnc(C)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680580095 486818270 /nfs/dbraw/zinc/81/82/70/486818270.db2.gz PQHBLHOEQNZGRS-INIZCTEOSA-N 2 2 345.491 1.588 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000672889237 486831936 /nfs/dbraw/zinc/83/19/36/486831936.db2.gz MKNVSGTWWSZCHZ-IAGOWNOFSA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000672889237 486831939 /nfs/dbraw/zinc/83/19/39/486831939.db2.gz MKNVSGTWWSZCHZ-IAGOWNOFSA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000672889237 486831945 /nfs/dbraw/zinc/83/19/45/486831945.db2.gz MKNVSGTWWSZCHZ-IAGOWNOFSA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)CC[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000672889237 486831951 /nfs/dbraw/zinc/83/19/51/486831951.db2.gz MKNVSGTWWSZCHZ-IAGOWNOFSA-N 3 2 336.524 1.536 20 0 EDADLP CN(C(=O)CCc1ccc(=O)[nH]c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683849885 486839113 /nfs/dbraw/zinc/83/91/13/486839113.db2.gz GLYNYENOFAGZHC-QGZVFWFLSA-N 2 2 346.475 1.347 20 0 EDADLP CN(C(=O)CCc1ccc(=O)[nH]c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683849885 486839117 /nfs/dbraw/zinc/83/91/17/486839117.db2.gz GLYNYENOFAGZHC-QGZVFWFLSA-N 2 2 346.475 1.347 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000676841944 486900314 /nfs/dbraw/zinc/90/03/14/486900314.db2.gz RCRREWUGTWBXGU-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000676841944 486900318 /nfs/dbraw/zinc/90/03/18/486900318.db2.gz RCRREWUGTWBXGU-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000676841944 486900322 /nfs/dbraw/zinc/90/03/22/486900322.db2.gz RCRREWUGTWBXGU-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc4[nH]c(=O)oc43)C2)CC1 ZINC000676882520 486917670 /nfs/dbraw/zinc/91/76/70/486917670.db2.gz OIDLYNJFVHNSNY-GFCCVEGCSA-N 2 2 344.415 1.432 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc4[nH]c(=O)oc43)C2)CC1 ZINC000676882520 486917673 /nfs/dbraw/zinc/91/76/73/486917673.db2.gz OIDLYNJFVHNSNY-GFCCVEGCSA-N 2 2 344.415 1.432 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CC1 ZINC000673146737 486926020 /nfs/dbraw/zinc/92/60/20/486926020.db2.gz YVMMEOHBEDNJSQ-GOEBONIOSA-N 2 2 331.464 1.999 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000684379284 487042672 /nfs/dbraw/zinc/04/26/72/487042672.db2.gz YEZXLQSXAFRSSY-LJQANCHMSA-N 2 2 332.492 1.319 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c[nH+]1 ZINC000684379284 487042676 /nfs/dbraw/zinc/04/26/76/487042676.db2.gz YEZXLQSXAFRSSY-LJQANCHMSA-N 3 2 332.492 1.319 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC000684441979 487062485 /nfs/dbraw/zinc/06/24/85/487062485.db2.gz RXXNTFWAIPSRTF-SFHVURJKSA-N 2 2 333.451 1.950 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC000684441979 487062486 /nfs/dbraw/zinc/06/24/86/487062486.db2.gz RXXNTFWAIPSRTF-SFHVURJKSA-N 2 2 333.451 1.950 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H](C)O1 ZINC000681551676 487083553 /nfs/dbraw/zinc/08/35/53/487083553.db2.gz VAGQJRDMYMCUJE-NCOADZHNSA-N 2 2 346.475 1.546 20 0 EDADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000681582858 487096628 /nfs/dbraw/zinc/09/66/28/487096628.db2.gz JEFXPTHKCAXJSC-AWEZNQCLSA-N 2 2 341.415 1.245 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NC[C@H](C)[N@H+](C)C3CC3)[nH+]c12 ZINC000673773099 487110680 /nfs/dbraw/zinc/11/06/80/487110680.db2.gz BXYZQIJLJYJMLW-AWEZNQCLSA-N 2 2 329.448 1.967 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NC[C@H](C)[N@@H+](C)C3CC3)[nH+]c12 ZINC000673773099 487110686 /nfs/dbraw/zinc/11/06/86/487110686.db2.gz BXYZQIJLJYJMLW-AWEZNQCLSA-N 2 2 329.448 1.967 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000668157423 487123356 /nfs/dbraw/zinc/12/33/56/487123356.db2.gz QNUBSQZEVQLCHN-UHFFFAOYSA-N 2 2 345.491 1.284 20 0 EDADLP CN1CCC[C@H]([N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000681711241 487139116 /nfs/dbraw/zinc/13/91/16/487139116.db2.gz GAVCXLPQVUQVMZ-HKUYNNGSSA-N 2 2 331.460 1.176 20 0 EDADLP CN1CCC[C@H]([N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000681711241 487139120 /nfs/dbraw/zinc/13/91/20/487139120.db2.gz GAVCXLPQVUQVMZ-HKUYNNGSSA-N 2 2 331.460 1.176 20 0 EDADLP CN1CCC[C@H]([NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000681711241 487139124 /nfs/dbraw/zinc/13/91/24/487139124.db2.gz GAVCXLPQVUQVMZ-HKUYNNGSSA-N 2 2 331.460 1.176 20 0 EDADLP CN1CCC[C@H]([NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000681711241 487139129 /nfs/dbraw/zinc/13/91/29/487139129.db2.gz GAVCXLPQVUQVMZ-HKUYNNGSSA-N 2 2 331.460 1.176 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCO[C@@H]3C3CC3)C2)CC1 ZINC000677653220 487141672 /nfs/dbraw/zinc/14/16/72/487141672.db2.gz BKOSFOQQEQITHX-BHYGNILZSA-N 2 2 336.480 1.022 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCO[C@@H]3C3CC3)C2)CC1 ZINC000677653220 487141675 /nfs/dbraw/zinc/14/16/75/487141675.db2.gz BKOSFOQQEQITHX-BHYGNILZSA-N 2 2 336.480 1.022 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C(F)F)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000677731675 487160442 /nfs/dbraw/zinc/16/04/42/487160442.db2.gz KQQHEHDFTRCTAW-ZDUSSCGKSA-N 2 2 343.443 1.979 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C(F)F)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000677731675 487160445 /nfs/dbraw/zinc/16/04/45/487160445.db2.gz KQQHEHDFTRCTAW-ZDUSSCGKSA-N 2 2 343.443 1.979 20 0 EDADLP O=C(C[NH+]1CCC2(CCOC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000677720850 487158025 /nfs/dbraw/zinc/15/80/25/487158025.db2.gz QOZNZMXPXCPXRZ-UHFFFAOYSA-N 2 2 347.459 1.426 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000681755174 487158307 /nfs/dbraw/zinc/15/83/07/487158307.db2.gz PMQKHCLHKBOKOF-GOEBONIOSA-N 2 2 325.416 1.374 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000681755174 487158312 /nfs/dbraw/zinc/15/83/12/487158312.db2.gz PMQKHCLHKBOKOF-GOEBONIOSA-N 2 2 325.416 1.374 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOc2cccc(F)c2)CC1 ZINC000674000765 487181578 /nfs/dbraw/zinc/18/15/78/487181578.db2.gz WMEBEUSJIAAORA-UHFFFAOYSA-N 2 2 337.439 1.737 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccnn2C)CC1 ZINC000685005424 487212179 /nfs/dbraw/zinc/21/21/79/487212179.db2.gz FDAFEEYIOVUAKC-KRWDZBQOSA-N 2 2 333.480 1.548 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2ccnn2C)CC1 ZINC000685005424 487212181 /nfs/dbraw/zinc/21/21/81/487212181.db2.gz FDAFEEYIOVUAKC-KRWDZBQOSA-N 2 2 333.480 1.548 20 0 EDADLP C[C@@H](NC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C1CC[NH+](C)CC1 ZINC000681873415 487212975 /nfs/dbraw/zinc/21/29/75/487212975.db2.gz HYADWIMQZIWWSQ-GDBMZVCRSA-N 2 2 348.495 1.149 20 0 EDADLP C[C@@H](C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1)[NH+](C)C ZINC000674264538 487225116 /nfs/dbraw/zinc/22/51/16/487225116.db2.gz YFQJQFRFWJXGOB-INIZCTEOSA-N 2 2 334.464 1.083 20 0 EDADLP CS(=O)(=O)Nc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000678277657 487279548 /nfs/dbraw/zinc/27/95/48/487279548.db2.gz YXQRDUYCZCNQBL-MRXNPFEDSA-N 2 2 337.489 1.976 20 0 EDADLP CS(=O)(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000678277657 487279551 /nfs/dbraw/zinc/27/95/51/487279551.db2.gz YXQRDUYCZCNQBL-MRXNPFEDSA-N 2 2 337.489 1.976 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000678293539 487284506 /nfs/dbraw/zinc/28/45/06/487284506.db2.gz ANPHUSMACPLSFO-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000678293539 487284508 /nfs/dbraw/zinc/28/45/08/487284508.db2.gz ANPHUSMACPLSFO-IBGZPJMESA-N 2 2 338.455 1.973 20 0 EDADLP C[C@H](Cc1cccs1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000678592036 487340000 /nfs/dbraw/zinc/34/00/00/487340000.db2.gz JVDVELPVUURMHY-HUUCEWRRSA-N 2 2 337.489 1.202 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000678713398 487355607 /nfs/dbraw/zinc/35/56/07/487355607.db2.gz OZBVYJFKIYMMRG-UHFFFAOYSA-N 2 2 349.406 1.626 20 0 EDADLP Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000678805028 487366606 /nfs/dbraw/zinc/36/66/06/487366606.db2.gz MYVMPSIEOZVHOS-GFCCVEGCSA-N 2 2 338.452 1.169 20 0 EDADLP C[C@@H](C[C@@H]1CCOC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000675427205 487406549 /nfs/dbraw/zinc/40/65/49/487406549.db2.gz FMHKOTCJHNBGTH-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000675642458 487431595 /nfs/dbraw/zinc/43/15/95/487431595.db2.gz NVGDDXQUPOSUEU-INIZCTEOSA-N 2 2 328.464 1.510 20 0 EDADLP Cn1nc2c(c1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CCCC2 ZINC000675821564 487447700 /nfs/dbraw/zinc/44/77/00/487447700.db2.gz KUYKHSVHVPXVKM-UHFFFAOYSA-N 2 2 333.480 1.055 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000675855362 487452930 /nfs/dbraw/zinc/45/29/30/487452930.db2.gz YLOKUNRJLWBIMG-KEYYUXOJSA-N 2 2 328.460 1.437 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000675855362 487452933 /nfs/dbraw/zinc/45/29/33/487452933.db2.gz YLOKUNRJLWBIMG-KEYYUXOJSA-N 2 2 328.460 1.437 20 0 EDADLP O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000683143448 487454702 /nfs/dbraw/zinc/45/47/02/487454702.db2.gz DJHNCXSAPBPBIW-SJLPKXTDSA-N 2 2 333.432 1.081 20 0 EDADLP C[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000683146616 487455090 /nfs/dbraw/zinc/45/50/90/487455090.db2.gz MOTQVCKSGMNPCL-HDMKZQKVSA-N 2 2 332.448 1.276 20 0 EDADLP COc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000679827580 487466403 /nfs/dbraw/zinc/46/64/03/487466403.db2.gz RSZJEWGSDMCJQZ-MJGOQNOKSA-N 2 2 344.455 1.811 20 0 EDADLP COc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000679827580 487466405 /nfs/dbraw/zinc/46/64/05/487466405.db2.gz RSZJEWGSDMCJQZ-MJGOQNOKSA-N 2 2 344.455 1.811 20 0 EDADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000668970038 485507971 /nfs/dbraw/zinc/50/79/71/485507971.db2.gz JMQXPFWUYVXXNX-CQSZACIVSA-N 2 2 341.415 1.245 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)CCC2 ZINC000669541081 485526088 /nfs/dbraw/zinc/52/60/88/485526088.db2.gz MRJDNSVRTPZLAJ-JONQDZQNSA-N 2 2 331.464 1.838 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669544256 485530644 /nfs/dbraw/zinc/53/06/44/485530644.db2.gz RALGJDSEQXFGKF-LSDHHAIUSA-N 2 2 340.830 1.743 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669544256 485530652 /nfs/dbraw/zinc/53/06/52/485530652.db2.gz RALGJDSEQXFGKF-LSDHHAIUSA-N 2 2 340.830 1.743 20 0 EDADLP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000324638227 485581694 /nfs/dbraw/zinc/58/16/94/485581694.db2.gz WOQMTRYDFORHQR-FUHWJXTLSA-N 2 2 329.444 1.197 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669165619 485761666 /nfs/dbraw/zinc/76/16/66/485761666.db2.gz YBBGGUHURBKBID-IAGOWNOFSA-N 2 2 343.475 1.965 20 0 EDADLP CO[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000669252216 485858903 /nfs/dbraw/zinc/85/89/03/485858903.db2.gz KRQYYFXOFLNGSH-DLBZAZTESA-N 2 2 337.508 1.868 20 0 EDADLP CO[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000668616329 485954120 /nfs/dbraw/zinc/95/41/20/485954120.db2.gz BKZMFVFRUXXAIH-ROUUACIJSA-N 2 2 337.508 1.819 20 0 EDADLP CO[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000668616329 485954123 /nfs/dbraw/zinc/95/41/23/485954123.db2.gz BKZMFVFRUXXAIH-ROUUACIJSA-N 2 2 337.508 1.819 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(O)CCCC(C)(C)C3)C2)CC1 ZINC000668639943 485982762 /nfs/dbraw/zinc/98/27/62/485982762.db2.gz ODCBXSZODDOTQU-DNVCBOLYSA-N 2 2 337.508 1.602 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(O)CCCC(C)(C)C3)C2)CC1 ZINC000668639943 485982768 /nfs/dbraw/zinc/98/27/68/485982768.db2.gz ODCBXSZODDOTQU-DNVCBOLYSA-N 2 2 337.508 1.602 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnn3C(F)F)C2)CC1 ZINC000668640864 485984338 /nfs/dbraw/zinc/98/43/38/485984338.db2.gz XWWABWQXTYXYKY-LLVKDONJSA-N 2 2 327.379 1.177 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnn3C(F)F)C2)CC1 ZINC000668640864 485984347 /nfs/dbraw/zinc/98/43/47/485984347.db2.gz XWWABWQXTYXYKY-LLVKDONJSA-N 2 2 327.379 1.177 20 0 EDADLP CC1(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000669366265 486014656 /nfs/dbraw/zinc/01/46/56/486014656.db2.gz DRIWKPOEMZLKLG-KRWDZBQOSA-N 2 2 346.475 1.501 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000669366282 486014849 /nfs/dbraw/zinc/01/48/49/486014849.db2.gz KBRVWRCTUVCOQS-QZTJIDSGSA-N 2 2 346.475 1.501 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(O)CCCC(C)(C)C1 ZINC000668690672 486053538 /nfs/dbraw/zinc/05/35/38/486053538.db2.gz YJIKGMMOGJWJID-LJQANCHMSA-N 2 2 339.524 1.802 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(O)CCCC(C)(C)C1 ZINC000668690672 486053543 /nfs/dbraw/zinc/05/35/43/486053543.db2.gz YJIKGMMOGJWJID-LJQANCHMSA-N 2 2 339.524 1.802 20 0 EDADLP COc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc2c1OCCO2 ZINC000668793896 486203244 /nfs/dbraw/zinc/20/32/44/486203244.db2.gz TUHUMAZNPZQROD-UHFFFAOYSA-N 2 2 344.415 1.522 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000668849454 486258740 /nfs/dbraw/zinc/25/87/40/486258740.db2.gz IVALGPUONHQFRJ-ZWKOTPCHSA-N 2 2 346.475 1.501 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000450958651 486268498 /nfs/dbraw/zinc/26/84/98/486268498.db2.gz LNNMXUWPBPFLFN-KZNAEPCWSA-N 2 2 337.508 1.676 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000450958651 486268502 /nfs/dbraw/zinc/26/85/02/486268502.db2.gz LNNMXUWPBPFLFN-KZNAEPCWSA-N 2 2 337.508 1.676 20 0 EDADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000450958651 486268506 /nfs/dbraw/zinc/26/85/06/486268506.db2.gz LNNMXUWPBPFLFN-KZNAEPCWSA-N 2 2 337.508 1.676 20 0 EDADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000450958651 486268510 /nfs/dbraw/zinc/26/85/10/486268510.db2.gz LNNMXUWPBPFLFN-KZNAEPCWSA-N 2 2 337.508 1.676 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000668873824 486285614 /nfs/dbraw/zinc/28/56/14/486285614.db2.gz ABGZXRZUGNVYEH-HOTGVXAUSA-N 2 2 327.432 1.951 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000668873854 486285807 /nfs/dbraw/zinc/28/58/07/486285807.db2.gz IPXTWYVQMAFMJZ-BHYGNILZSA-N 2 2 339.443 1.903 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000668873855 486285977 /nfs/dbraw/zinc/28/59/77/486285977.db2.gz IPXTWYVQMAFMJZ-DJIMGWMZSA-N 2 2 339.443 1.903 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000669832148 486468796 /nfs/dbraw/zinc/46/87/96/486468796.db2.gz CLHONUAMKUJWFJ-LHUBUQBQSA-N 2 2 337.489 1.177 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000669832148 486468801 /nfs/dbraw/zinc/46/88/01/486468801.db2.gz CLHONUAMKUJWFJ-LHUBUQBQSA-N 2 2 337.489 1.177 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@H](O)C3CC3)CC2)c1 ZINC000304778663 491005791 /nfs/dbraw/zinc/00/57/91/491005791.db2.gz JPVZCFARPOEVSQ-IBGZPJMESA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@H](O)C3CC3)CC2)c1 ZINC000304778663 491005792 /nfs/dbraw/zinc/00/57/92/491005792.db2.gz JPVZCFARPOEVSQ-IBGZPJMESA-N 2 2 345.487 1.342 20 0 EDADLP CN(C(=O)c1ccc2cc[nH]c2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679408952 491011397 /nfs/dbraw/zinc/01/13/97/491011397.db2.gz QEDYFBDLPATPAT-INIZCTEOSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1ccc2cc[nH]c2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679408952 491011398 /nfs/dbraw/zinc/01/13/98/491011398.db2.gz QEDYFBDLPATPAT-INIZCTEOSA-N 2 2 341.459 1.803 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CCO1 ZINC000523059152 491183944 /nfs/dbraw/zinc/18/39/44/491183944.db2.gz AQYQHUXILCDZQR-HNNXBMFYSA-N 2 2 335.448 1.078 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CCO1 ZINC000523059152 491183947 /nfs/dbraw/zinc/18/39/47/491183947.db2.gz AQYQHUXILCDZQR-HNNXBMFYSA-N 2 2 335.448 1.078 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172934804 500765434 /nfs/dbraw/zinc/76/54/34/500765434.db2.gz NPQZGYKZKLSTCD-AEFFLSMTSA-N 2 2 331.460 1.470 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172934804 500765439 /nfs/dbraw/zinc/76/54/39/500765439.db2.gz NPQZGYKZKLSTCD-AEFFLSMTSA-N 2 2 331.460 1.470 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C[N@@H+]1C1CC1 ZINC000130352781 533921581 /nfs/dbraw/zinc/92/15/81/533921581.db2.gz MJIMCEWGYHERCV-WBVHZDCISA-N 2 2 343.475 1.534 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)C[N@H+]1C1CC1 ZINC000130352781 533921591 /nfs/dbraw/zinc/92/15/91/533921591.db2.gz MJIMCEWGYHERCV-WBVHZDCISA-N 2 2 343.475 1.534 20 0 EDADLP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129286635 534065994 /nfs/dbraw/zinc/06/59/94/534065994.db2.gz AZNPPXDPFFBHST-MRXNPFEDSA-N 2 2 347.459 1.678 20 0 EDADLP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129286635 534066001 /nfs/dbraw/zinc/06/60/01/534066001.db2.gz AZNPPXDPFFBHST-MRXNPFEDSA-N 2 2 347.459 1.678 20 0 EDADLP COC(=O)c1ccccc1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187082213 534289827 /nfs/dbraw/zinc/28/98/27/534289827.db2.gz UUJDPVXOAJQNKB-INIZCTEOSA-N 2 2 332.444 1.670 20 0 EDADLP COC(=O)c1ccccc1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187082213 534289828 /nfs/dbraw/zinc/28/98/28/534289828.db2.gz UUJDPVXOAJQNKB-INIZCTEOSA-N 2 2 332.444 1.670 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178072449 534685925 /nfs/dbraw/zinc/68/59/25/534685925.db2.gz MASBLLQYFMUFQM-OAHLLOKOSA-N 2 2 341.415 1.062 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC[NH2+]1 ZINC000188397282 524872869 /nfs/dbraw/zinc/87/28/69/524872869.db2.gz SULKNQFMTKAXRS-CQSZACIVSA-N 2 2 341.415 1.346 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339643292 534909266 /nfs/dbraw/zinc/90/92/66/534909266.db2.gz GBKYUIPNILSVDE-UHFFFAOYSA-N 2 2 349.479 1.146 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000177442366 527723168 /nfs/dbraw/zinc/72/31/68/527723168.db2.gz DOSOQVAWTHYMNO-UHFFFAOYSA-N 2 2 340.512 1.376 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000154929995 529034195 /nfs/dbraw/zinc/03/41/95/529034195.db2.gz QHCKNSSPSYUTBU-LJQANCHMSA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000154929995 529034199 /nfs/dbraw/zinc/03/41/99/529034199.db2.gz QHCKNSSPSYUTBU-LJQANCHMSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000158515165 529285796 /nfs/dbraw/zinc/28/57/96/529285796.db2.gz YHBVKZJGOINUPN-SZMVWBNQSA-N 2 2 333.476 1.905 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000158515165 529285797 /nfs/dbraw/zinc/28/57/97/529285797.db2.gz YHBVKZJGOINUPN-SZMVWBNQSA-N 2 2 333.476 1.905 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000246473191 534954071 /nfs/dbraw/zinc/95/40/71/534954071.db2.gz QVUHUOLXWPIJEN-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000246473191 534954074 /nfs/dbraw/zinc/95/40/74/534954074.db2.gz QVUHUOLXWPIJEN-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)(CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000333134755 535110383 /nfs/dbraw/zinc/11/03/83/535110383.db2.gz CFBWQCWRDJBMPV-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000332531825 535354229 /nfs/dbraw/zinc/35/42/29/535354229.db2.gz YIDMASDHROERHU-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000131918250 535371142 /nfs/dbraw/zinc/37/11/42/535371142.db2.gz JRBLQJNCSHMCBE-KRWDZBQOSA-N 2 2 347.503 1.767 20 0 EDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000131918250 535371144 /nfs/dbraw/zinc/37/11/44/535371144.db2.gz JRBLQJNCSHMCBE-KRWDZBQOSA-N 2 2 347.503 1.767 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448024 535538622 /nfs/dbraw/zinc/53/86/22/535538622.db2.gz MNPVAOGTKCHMQR-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448024 535538625 /nfs/dbraw/zinc/53/86/25/535538625.db2.gz MNPVAOGTKCHMQR-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nccs3)C2)CC1 ZINC000249906735 535635786 /nfs/dbraw/zinc/63/57/86/535635786.db2.gz VDRWQGBQDMSJAU-LSDHHAIUSA-N 2 2 336.505 1.875 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nccs3)C2)CC1 ZINC000249906735 535635791 /nfs/dbraw/zinc/63/57/91/535635791.db2.gz VDRWQGBQDMSJAU-LSDHHAIUSA-N 2 2 336.505 1.875 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262662116 535715222 /nfs/dbraw/zinc/71/52/22/535715222.db2.gz OAPOXHYUNDJAON-AEFFLSMTSA-N 2 2 332.492 1.385 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262662116 535715229 /nfs/dbraw/zinc/71/52/29/535715229.db2.gz OAPOXHYUNDJAON-AEFFLSMTSA-N 2 2 332.492 1.385 20 0 EDADLP CCc1ccccc1NC(=O)CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262080903 535948224 /nfs/dbraw/zinc/94/82/24/535948224.db2.gz TUDNLTDVSCFDHT-HXUWFJFHSA-N 2 2 344.503 1.805 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000352740770 536057804 /nfs/dbraw/zinc/05/78/04/536057804.db2.gz AAHDQWVFLRJXMJ-UHFFFAOYSA-N 3 2 339.553 1.710 20 0 EDADLP CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000093200116 536155581 /nfs/dbraw/zinc/15/55/81/536155581.db2.gz BSLCOFSYNROPJR-AWEZNQCLSA-N 2 2 336.505 1.789 20 0 EDADLP CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000093200116 536155582 /nfs/dbraw/zinc/15/55/82/536155582.db2.gz BSLCOFSYNROPJR-AWEZNQCLSA-N 2 2 336.505 1.789 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000247436746 536174260 /nfs/dbraw/zinc/17/42/60/536174260.db2.gz ZFZLUGXHSHMZIV-HRCADAONSA-N 2 2 334.464 1.718 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000247436746 536174264 /nfs/dbraw/zinc/17/42/64/536174264.db2.gz ZFZLUGXHSHMZIV-HRCADAONSA-N 2 2 334.464 1.718 20 0 EDADLP C[NH2+][C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1cnn(C)c1 ZINC000262301388 536336047 /nfs/dbraw/zinc/33/60/47/536336047.db2.gz AYGDKHHAOCYEKU-HZPDHXFCSA-N 2 2 349.866 1.753 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C4CC4)n[nH]3)CC2)CC1 ZINC000195204672 536339747 /nfs/dbraw/zinc/33/97/47/536339747.db2.gz ZKPZGFOJZSTBQG-UHFFFAOYSA-N 2 2 331.464 1.576 20 0 EDADLP C[NH+]1CCN(c2ncc(CN3CCCC[C@@H]3c3[nH]cc[nH+]3)cn2)CC1 ZINC000092729430 536426179 /nfs/dbraw/zinc/42/61/79/536426179.db2.gz ZZTDNEHUKXIYDO-MRXNPFEDSA-N 2 2 341.463 1.679 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000340006189 536453733 /nfs/dbraw/zinc/45/37/33/536453733.db2.gz YSKCJOFZYIPCNU-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000340006189 536453737 /nfs/dbraw/zinc/45/37/37/536453737.db2.gz YSKCJOFZYIPCNU-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP COc1cc(CN2CC[C@H]([NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc(OC)c1 ZINC000344900842 536771725 /nfs/dbraw/zinc/77/17/25/536771725.db2.gz GTUMNAHRSYFCAI-URLQWDBASA-N 2 2 333.476 1.818 20 0 EDADLP COc1cc(CN2CC[C@H]([NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc(OC)c1 ZINC000344900842 536771730 /nfs/dbraw/zinc/77/17/30/536771730.db2.gz GTUMNAHRSYFCAI-URLQWDBASA-N 2 2 333.476 1.818 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261952341 536875584 /nfs/dbraw/zinc/87/55/84/536875584.db2.gz WMBBHVJTNIDFFV-SDDRHHMPSA-N 2 2 337.445 1.532 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261952341 536875587 /nfs/dbraw/zinc/87/55/87/536875587.db2.gz WMBBHVJTNIDFFV-SDDRHHMPSA-N 2 2 337.445 1.532 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000742404865 579451172 /nfs/dbraw/zinc/45/11/72/579451172.db2.gz NIFRLCUPXFIUIO-CVEARBPZSA-N 2 2 342.447 1.784 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000742404865 579451173 /nfs/dbraw/zinc/45/11/73/579451173.db2.gz NIFRLCUPXFIUIO-CVEARBPZSA-N 2 2 342.447 1.784 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000737647190 578277885 /nfs/dbraw/zinc/27/78/85/578277885.db2.gz CJMGCOAMDULILD-ZDUSSCGKSA-N 2 2 346.410 1.160 20 0 EDADLP Fc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000737647190 578277886 /nfs/dbraw/zinc/27/78/86/578277886.db2.gz CJMGCOAMDULILD-ZDUSSCGKSA-N 2 2 346.410 1.160 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000726258505 578340127 /nfs/dbraw/zinc/34/01/27/578340127.db2.gz WHNLMHRPHRGWQZ-ZIAGYGMSSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000726258505 578340129 /nfs/dbraw/zinc/34/01/29/578340129.db2.gz WHNLMHRPHRGWQZ-ZIAGYGMSSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@H]([C@H](C)NC(=S)NCC(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000729647442 578586456 /nfs/dbraw/zinc/58/64/56/578586456.db2.gz PGJCIKOKLGTISM-UONOGXRCSA-N 2 2 330.542 1.148 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000729927266 578598075 /nfs/dbraw/zinc/59/80/75/578598075.db2.gz CLVXISCSYTZAEV-YVEFUNNKSA-N 2 2 328.403 1.775 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000729927266 578598077 /nfs/dbraw/zinc/59/80/77/578598077.db2.gz CLVXISCSYTZAEV-YVEFUNNKSA-N 2 2 328.403 1.775 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000732063167 578688980 /nfs/dbraw/zinc/68/89/80/578688980.db2.gz WMHASHDNZZUNHM-MRXNPFEDSA-N 2 2 336.480 1.917 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000732288445 578703065 /nfs/dbraw/zinc/70/30/65/578703065.db2.gz NUKJZUSREHNONI-QZTJIDSGSA-N 2 2 331.460 1.349 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000732288445 578703067 /nfs/dbraw/zinc/70/30/67/578703067.db2.gz NUKJZUSREHNONI-QZTJIDSGSA-N 2 2 331.460 1.349 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000733870906 578786606 /nfs/dbraw/zinc/78/66/06/578786606.db2.gz ZUBFCFNCFUCMOB-QGZVFWFLSA-N 2 2 325.497 1.822 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000733870906 578786607 /nfs/dbraw/zinc/78/66/07/578786607.db2.gz ZUBFCFNCFUCMOB-QGZVFWFLSA-N 2 2 325.497 1.822 20 0 EDADLP Cc1cc(NC2CC[NH+](CCS(C)(=O)=O)CC2)nc(C2CC2)[nH+]1 ZINC000734834656 578840997 /nfs/dbraw/zinc/84/09/97/578840997.db2.gz BQJDAMHATXFGOJ-UHFFFAOYSA-N 2 2 338.477 1.583 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000735291909 578874411 /nfs/dbraw/zinc/87/44/11/578874411.db2.gz ZWKZQEBKCOXSKP-FUHWJXTLSA-N 2 2 333.476 1.595 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000735291909 578874412 /nfs/dbraw/zinc/87/44/12/578874412.db2.gz ZWKZQEBKCOXSKP-FUHWJXTLSA-N 2 2 333.476 1.595 20 0 EDADLP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=O)c3cccc(N)c3C2=O)CC1 ZINC000738090340 579158907 /nfs/dbraw/zinc/15/89/07/579158907.db2.gz PFBJROVAZOFTIT-UHFFFAOYSA-N 2 2 344.459 1.875 20 0 EDADLP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=O)c3cccc(N)c3C2=O)CC1 ZINC000738090340 579158908 /nfs/dbraw/zinc/15/89/08/579158908.db2.gz PFBJROVAZOFTIT-UHFFFAOYSA-N 2 2 344.459 1.875 20 0 EDADLP O=C1C[C@]2(CCSC2)C(=O)N1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738149908 579164613 /nfs/dbraw/zinc/16/46/13/579164613.db2.gz SRTCKXKJYVGPPJ-BBRMVZONSA-N 2 2 334.445 1.360 20 0 EDADLP O=C1C[C@]2(CCSC2)C(=O)N1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738149908 579164614 /nfs/dbraw/zinc/16/46/14/579164614.db2.gz SRTCKXKJYVGPPJ-BBRMVZONSA-N 2 2 334.445 1.360 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000745083955 579537337 /nfs/dbraw/zinc/53/73/37/579537337.db2.gz PEPFNZUSQCQFQD-INIZCTEOSA-N 2 2 339.480 1.393 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000745083955 579537339 /nfs/dbraw/zinc/53/73/39/579537339.db2.gz PEPFNZUSQCQFQD-INIZCTEOSA-N 2 2 339.480 1.393 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000745789934 579562491 /nfs/dbraw/zinc/56/24/91/579562491.db2.gz VOGNDRBJBZBJPW-ZFWWWQNUSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000745789934 579562492 /nfs/dbraw/zinc/56/24/92/579562492.db2.gz VOGNDRBJBZBJPW-ZFWWWQNUSA-N 2 2 328.420 1.549 20 0 EDADLP COC[C@]1(C)CC(=O)N(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000746651905 579605113 /nfs/dbraw/zinc/60/51/13/579605113.db2.gz VEYMMWDBIGEGCV-KYHPRHEASA-N 2 2 339.480 1.012 20 0 EDADLP COC[C@]1(C)CC(=O)N(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000746651905 579605114 /nfs/dbraw/zinc/60/51/14/579605114.db2.gz VEYMMWDBIGEGCV-KYHPRHEASA-N 2 2 339.480 1.012 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](OCC3CC3)C2)C1 ZINC000777553694 580444347 /nfs/dbraw/zinc/44/43/47/580444347.db2.gz UBZHXYYCDPZVMH-HOTGVXAUSA-N 2 2 332.448 1.585 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](OCC3CC3)C2)C1 ZINC000777553694 580444348 /nfs/dbraw/zinc/44/43/48/580444348.db2.gz UBZHXYYCDPZVMH-HOTGVXAUSA-N 2 2 332.448 1.585 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000747558233 579649112 /nfs/dbraw/zinc/64/91/12/579649112.db2.gz SQAZGFGRUYHPHO-OAHLLOKOSA-N 2 2 347.467 1.878 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)N3CCO[C@H](C)C3)C2)CC1 ZINC000748435592 579686276 /nfs/dbraw/zinc/68/62/76/579686276.db2.gz IHOFXVLWQPGOOX-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)N3CCO[C@H](C)C3)C2)CC1 ZINC000748435592 579686278 /nfs/dbraw/zinc/68/62/78/579686278.db2.gz IHOFXVLWQPGOOX-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(N(C)C)[nH+]1 ZINC000750411080 579762484 /nfs/dbraw/zinc/76/24/84/579762484.db2.gz IDJGIJDXUQQDCM-JKSUJKDBSA-N 2 2 347.463 1.519 20 0 EDADLP Cn1cc([C@@H](O)CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cn1 ZINC000752638239 579862826 /nfs/dbraw/zinc/86/28/26/579862826.db2.gz LPLBXLQZSQKLFI-AWEZNQCLSA-N 2 2 336.359 1.090 20 0 EDADLP CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)Cn2cc[nH+]c2)C1 ZINC000753115767 579872916 /nfs/dbraw/zinc/87/29/16/579872916.db2.gz NLMVTWVHTIWEFT-UHFFFAOYSA-N 2 2 328.416 1.651 20 0 EDADLP CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)Cn2cc[nH+]c2)C1 ZINC000753115767 579872917 /nfs/dbraw/zinc/87/29/17/579872917.db2.gz NLMVTWVHTIWEFT-UHFFFAOYSA-N 2 2 328.416 1.651 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCn3ccnn3)CC2)cc1 ZINC000753585021 579883266 /nfs/dbraw/zinc/88/32/66/579883266.db2.gz DWPLWTYHIQSCDC-UHFFFAOYSA-N 2 2 328.464 1.993 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccnc(N(C)C)c3)CC2)c1 ZINC000754028272 579894346 /nfs/dbraw/zinc/89/43/46/579894346.db2.gz TZVZFMQACIBURF-UHFFFAOYSA-N 2 2 327.432 1.873 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756123480 579943916 /nfs/dbraw/zinc/94/39/16/579943916.db2.gz WSUULNONUXBGOW-PWSUYJOCSA-N 2 2 343.415 1.088 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000756123480 579943917 /nfs/dbraw/zinc/94/39/17/579943917.db2.gz WSUULNONUXBGOW-PWSUYJOCSA-N 2 2 343.415 1.088 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000759206170 580000760 /nfs/dbraw/zinc/00/07/60/580000760.db2.gz ACSPIWAOAXJLHR-UHFFFAOYSA-N 2 2 333.480 1.946 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000759206170 580000761 /nfs/dbraw/zinc/00/07/61/580000761.db2.gz ACSPIWAOAXJLHR-UHFFFAOYSA-N 2 2 333.480 1.946 20 0 EDADLP c1ncn(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)cn2)n1 ZINC000764953457 580132003 /nfs/dbraw/zinc/13/20/03/580132003.db2.gz GBPDKOCTIHRIJF-UHFFFAOYSA-N 2 2 349.442 1.812 20 0 EDADLP C[C@H](Cn1cncn1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000765434493 580142340 /nfs/dbraw/zinc/14/23/40/580142340.db2.gz UDIXUTMSXLSOCA-OAHLLOKOSA-N 2 2 328.464 1.991 20 0 EDADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000766024491 580156916 /nfs/dbraw/zinc/15/69/16/580156916.db2.gz WOVVMTQHTXNTBU-ICSRJNTNSA-N 2 2 329.488 1.978 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000766248695 580162690 /nfs/dbraw/zinc/16/26/90/580162690.db2.gz MNIGAQNFDPFXLK-UKRRQHHQSA-N 2 2 338.452 1.806 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000766248695 580162691 /nfs/dbraw/zinc/16/26/91/580162691.db2.gz MNIGAQNFDPFXLK-UKRRQHHQSA-N 2 2 338.452 1.806 20 0 EDADLP C[C@H]1C[NH+]=C(N2CC[NH+](Cc3ccccc3-n3cncn3)CC2)S1 ZINC000769487914 580238392 /nfs/dbraw/zinc/23/83/92/580238392.db2.gz NITDYYXLWMUMEI-AWEZNQCLSA-N 2 2 342.472 1.876 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000769979275 580250341 /nfs/dbraw/zinc/25/03/41/580250341.db2.gz JJJHNCSHGAEDTJ-WMLDXEAASA-N 2 2 343.431 1.391 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000769979275 580250342 /nfs/dbraw/zinc/25/03/42/580250342.db2.gz JJJHNCSHGAEDTJ-WMLDXEAASA-N 2 2 343.431 1.391 20 0 EDADLP C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000773009111 580325135 /nfs/dbraw/zinc/32/51/35/580325135.db2.gz ZZGNUWYMBFYJLV-YJBOKZPZSA-N 2 2 349.450 1.279 20 0 EDADLP CC(C)(C)[C@@]1(C)NC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000773300602 580333014 /nfs/dbraw/zinc/33/30/14/580333014.db2.gz ANQRBZQWFHLSPX-DYVFJYSZSA-N 2 2 333.436 1.834 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995001 580611180 /nfs/dbraw/zinc/61/11/80/580611180.db2.gz JXENNGBLADUIOB-HOTGVXAUSA-N 2 2 333.480 1.357 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995001 580611181 /nfs/dbraw/zinc/61/11/81/580611181.db2.gz JXENNGBLADUIOB-HOTGVXAUSA-N 2 2 333.480 1.357 20 0 EDADLP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)NC(=O)OC(C)(C)C ZINC000785473636 580645252 /nfs/dbraw/zinc/64/52/52/580645252.db2.gz GQDLLADZDYEWNS-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)NC(=O)OC(C)(C)C ZINC000785473636 580645253 /nfs/dbraw/zinc/64/52/53/580645253.db2.gz GQDLLADZDYEWNS-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000791260288 580787755 /nfs/dbraw/zinc/78/77/55/580787755.db2.gz UEBVIVVRUWNOOH-HUUCEWRRSA-N 2 2 329.379 1.526 20 0 EDADLP Nc1cc(COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000791939420 580805843 /nfs/dbraw/zinc/80/58/43/580805843.db2.gz PJIJRZJOEMNDIG-QGZVFWFLSA-N 2 2 341.411 1.998 20 0 EDADLP Nc1cc(COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000791939420 580805844 /nfs/dbraw/zinc/80/58/44/580805844.db2.gz PJIJRZJOEMNDIG-QGZVFWFLSA-N 2 2 341.411 1.998 20 0 EDADLP CC[C@H](C)CC[C@H](O)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793491862 580845690 /nfs/dbraw/zinc/84/56/90/580845690.db2.gz OQVPNUPNAIXSBD-BQFCYCMXSA-N 2 2 339.524 1.848 20 0 EDADLP CC[C@H](C)CC[C@H](O)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793491862 580845691 /nfs/dbraw/zinc/84/56/91/580845691.db2.gz OQVPNUPNAIXSBD-BQFCYCMXSA-N 2 2 339.524 1.848 20 0 EDADLP CN1CC[NH+](CCCC[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000796264417 580949474 /nfs/dbraw/zinc/94/94/74/580949474.db2.gz VZZFQACAXPDHMV-UHFFFAOYSA-N 3 2 325.526 1.322 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCCCN2CC[NH+](C)CC2)s1 ZINC000796264417 580949475 /nfs/dbraw/zinc/94/94/75/580949475.db2.gz VZZFQACAXPDHMV-UHFFFAOYSA-N 3 2 325.526 1.322 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000796457313 580954261 /nfs/dbraw/zinc/95/42/61/580954261.db2.gz CPRFQODQRIFZQX-PBWFPOADSA-N 2 2 341.477 1.587 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000796457313 580954262 /nfs/dbraw/zinc/95/42/62/580954262.db2.gz CPRFQODQRIFZQX-PBWFPOADSA-N 2 2 341.477 1.587 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000796457313 580954263 /nfs/dbraw/zinc/95/42/63/580954263.db2.gz CPRFQODQRIFZQX-PBWFPOADSA-N 2 2 341.477 1.587 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000796457313 580954264 /nfs/dbraw/zinc/95/42/64/580954264.db2.gz CPRFQODQRIFZQX-PBWFPOADSA-N 2 2 341.477 1.587 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000893051125 590634860 /nfs/dbraw/zinc/63/48/60/590634860.db2.gz RBDZZZXXCYHMIW-GOEBONIOSA-N 2 2 337.468 1.356 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000893051125 590634863 /nfs/dbraw/zinc/63/48/63/590634863.db2.gz RBDZZZXXCYHMIW-GOEBONIOSA-N 2 2 337.468 1.356 20 0 EDADLP CC(C)[C@H](CCO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893055211 590638737 /nfs/dbraw/zinc/63/87/37/590638737.db2.gz ABYOWPZMAFIPMX-INIZCTEOSA-N 2 2 343.512 1.972 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000891829752 590640547 /nfs/dbraw/zinc/64/05/47/590640547.db2.gz QNWAFOICMCTTCS-OAHLLOKOSA-N 2 2 347.463 1.059 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000891829752 590640550 /nfs/dbraw/zinc/64/05/50/590640550.db2.gz QNWAFOICMCTTCS-OAHLLOKOSA-N 2 2 347.463 1.059 20 0 EDADLP CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+](C)CC1 ZINC000888995513 590663718 /nfs/dbraw/zinc/66/37/18/590663718.db2.gz RRDBYVIEKMSPLO-UHFFFAOYSA-N 2 2 327.432 1.192 20 0 EDADLP CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+](C)CC1 ZINC000888995513 590663723 /nfs/dbraw/zinc/66/37/23/590663723.db2.gz RRDBYVIEKMSPLO-UHFFFAOYSA-N 2 2 327.432 1.192 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c[nH+]1 ZINC000891944404 590699818 /nfs/dbraw/zinc/69/98/18/590699818.db2.gz RMABOKRJKOITNR-WCQYABFASA-N 2 2 330.354 1.977 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000891990531 590731045 /nfs/dbraw/zinc/73/10/45/590731045.db2.gz VYIVJOJLRHDRPT-HOTGVXAUSA-N 2 2 331.464 1.640 20 0 EDADLP CCc1nnc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000893353147 590798272 /nfs/dbraw/zinc/79/82/72/590798272.db2.gz LULWSXWYUYAJKW-UHFFFAOYSA-N 2 2 347.488 1.682 20 0 EDADLP CCc1c(C)nc2ncnn2c1N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000892490336 591046999 /nfs/dbraw/zinc/04/69/99/591046999.db2.gz QZZKJUKSJUJDHA-CQSZACIVSA-N 2 2 343.479 1.576 20 0 EDADLP CCc1c(C)nc2ncnn2c1N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000892490336 591047004 /nfs/dbraw/zinc/04/70/04/591047004.db2.gz QZZKJUKSJUJDHA-CQSZACIVSA-N 2 2 343.479 1.576 20 0 EDADLP CCc1c(C)nc2ncnn2c1N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000892490335 591047037 /nfs/dbraw/zinc/04/70/37/591047037.db2.gz QZZKJUKSJUJDHA-AWEZNQCLSA-N 2 2 343.479 1.576 20 0 EDADLP CCc1c(C)nc2ncnn2c1N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000892490335 591047041 /nfs/dbraw/zinc/04/70/41/591047041.db2.gz QZZKJUKSJUJDHA-AWEZNQCLSA-N 2 2 343.479 1.576 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CCC[NH2+]CC1 ZINC000892513890 591054783 /nfs/dbraw/zinc/05/47/83/591054783.db2.gz OKGNMEPHXLNEKB-UHFFFAOYSA-N 2 2 335.477 1.140 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892514096 591054975 /nfs/dbraw/zinc/05/49/75/591054975.db2.gz VPCIGLLUVYDXIB-UHFFFAOYSA-N 2 2 347.488 1.268 20 0 EDADLP CO[C@H]1CC[C@@H]1N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892521890 591057661 /nfs/dbraw/zinc/05/76/61/591057661.db2.gz IPUHZEFZSXHKEU-IRXDYDNUSA-N 2 2 338.496 1.364 20 0 EDADLP CN1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccc[nH+]c21 ZINC000892584220 591081529 /nfs/dbraw/zinc/08/15/29/591081529.db2.gz IRUOUYIXDLSMPZ-RBVVOMGSSA-N 2 2 329.448 1.574 20 0 EDADLP C[C@H](O)c1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[nH+]1 ZINC000893837174 591109101 /nfs/dbraw/zinc/10/91/01/591109101.db2.gz HJPCYGRMZUGFOK-AVOUXACISA-N 2 2 332.448 1.630 20 0 EDADLP C[C@H](O)c1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[nH+]1 ZINC000893837174 591109105 /nfs/dbraw/zinc/10/91/05/591109105.db2.gz HJPCYGRMZUGFOK-AVOUXACISA-N 2 2 332.448 1.630 20 0 EDADLP C[C@H]1CC2(CC(NC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)CO1 ZINC000893866747 591120729 /nfs/dbraw/zinc/12/07/29/591120729.db2.gz LUSSTFNRBSZGLZ-SYJJWHGVSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(CCO)cc2)CC1 ZINC000893868379 591121167 /nfs/dbraw/zinc/12/11/67/591121167.db2.gz WCTATXWNVNXKMU-UHFFFAOYSA-N 2 2 348.491 1.047 20 0 EDADLP Cc1cc(F)ncc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000892749659 591158595 /nfs/dbraw/zinc/15/85/95/591158595.db2.gz CWVYRHMEZJUYCQ-UHFFFAOYSA-N 2 2 329.423 1.966 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000892819921 591191415 /nfs/dbraw/zinc/19/14/15/591191415.db2.gz TXTWSGNPBDNVCB-LSDHHAIUSA-N 2 2 343.431 1.305 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000892819921 591191419 /nfs/dbraw/zinc/19/14/19/591191419.db2.gz TXTWSGNPBDNVCB-LSDHHAIUSA-N 2 2 343.431 1.305 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)CC(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000892838599 591199670 /nfs/dbraw/zinc/19/96/70/591199670.db2.gz PCRMSUQVLWSRAL-LSDHHAIUSA-N 2 2 328.501 1.325 20 0 EDADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2I)C1 ZINC000894190411 591223211 /nfs/dbraw/zinc/22/32/11/591223211.db2.gz PFDRJWYNOQCOEJ-SNVBAGLBSA-N 2 2 348.232 1.456 20 0 EDADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2I)C1 ZINC000894190411 591223212 /nfs/dbraw/zinc/22/32/12/591223212.db2.gz PFDRJWYNOQCOEJ-SNVBAGLBSA-N 2 2 348.232 1.456 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(F)F ZINC000894196778 591223501 /nfs/dbraw/zinc/22/35/01/591223501.db2.gz BTPVBEVFOBTCBR-TZMCWYRMSA-N 2 2 336.342 1.720 20 0 EDADLP CN(C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000895663904 591243173 /nfs/dbraw/zinc/24/31/73/591243173.db2.gz UKNFVJOTVXDXPP-MRXNPFEDSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@@H](O)c1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000892986077 591247221 /nfs/dbraw/zinc/24/72/21/591247221.db2.gz SVAUJUZOXCJWCK-VPSFDDGASA-N 2 2 330.476 1.882 20 0 EDADLP C[C@@H](O)c1cccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000892986077 591247222 /nfs/dbraw/zinc/24/72/22/591247222.db2.gz SVAUJUZOXCJWCK-VPSFDDGASA-N 2 2 330.476 1.882 20 0 EDADLP COC(=O)c1c[nH]c(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1C1CC1 ZINC000893030941 591260028 /nfs/dbraw/zinc/26/00/28/591260028.db2.gz UZYPXSDXWPJNRW-ZDUSSCGKSA-N 2 2 335.448 1.737 20 0 EDADLP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)[nH+]c2cnccc12 ZINC000895768495 591269125 /nfs/dbraw/zinc/26/91/25/591269125.db2.gz CZKZNVDSHBZORG-KBPBESRZSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)[nH+]c2cnccc12 ZINC000895768495 591269126 /nfs/dbraw/zinc/26/91/26/591269126.db2.gz CZKZNVDSHBZORG-KBPBESRZSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)c2ccncc2[nH+]1 ZINC000895768495 591269127 /nfs/dbraw/zinc/26/91/27/591269127.db2.gz CZKZNVDSHBZORG-KBPBESRZSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)c2ccncc2[nH+]1 ZINC000895768495 591269128 /nfs/dbraw/zinc/26/91/28/591269128.db2.gz CZKZNVDSHBZORG-KBPBESRZSA-N 3 2 326.448 1.862 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(N[C@H]3CCc4c([nH+]c(C)n4CCO)C3)c12 ZINC000894373226 591293760 /nfs/dbraw/zinc/29/37/60/591293760.db2.gz YPCAIAWTZZOJTQ-ZDUSSCGKSA-N 2 2 340.431 1.987 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000897438035 591451226 /nfs/dbraw/zinc/45/12/26/591451226.db2.gz SFGHRLWSJKKYDP-IRXDYDNUSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000897438035 591451227 /nfs/dbraw/zinc/45/12/27/591451227.db2.gz SFGHRLWSJKKYDP-IRXDYDNUSA-N 2 2 338.496 1.225 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000897456284 591461565 /nfs/dbraw/zinc/46/15/65/591461565.db2.gz WTEITPIQTUSRCE-QAPCUYQASA-N 2 2 349.475 1.259 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000897456284 591461569 /nfs/dbraw/zinc/46/15/69/591461569.db2.gz WTEITPIQTUSRCE-QAPCUYQASA-N 2 2 349.475 1.259 20 0 EDADLP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896568955 591530934 /nfs/dbraw/zinc/53/09/34/591530934.db2.gz QJWSBIGWXQNDKZ-LPHOPBHVSA-N 2 2 344.503 1.647 20 0 EDADLP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896568955 591530936 /nfs/dbraw/zinc/53/09/36/591530936.db2.gz QJWSBIGWXQNDKZ-LPHOPBHVSA-N 2 2 344.503 1.647 20 0 EDADLP C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896571628 591533398 /nfs/dbraw/zinc/53/33/98/591533398.db2.gz RARJPZSHJXEMKK-CRAIPNDOSA-N 2 2 341.459 1.296 20 0 EDADLP C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896571628 591533401 /nfs/dbraw/zinc/53/34/01/591533401.db2.gz RARJPZSHJXEMKK-CRAIPNDOSA-N 2 2 341.459 1.296 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)[nH]n1 ZINC000897587280 591569581 /nfs/dbraw/zinc/56/95/81/591569581.db2.gz MCROUGGHCDQESS-QGZVFWFLSA-N 2 2 331.464 1.781 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)[nH]n1 ZINC000897587280 591569586 /nfs/dbraw/zinc/56/95/86/591569586.db2.gz MCROUGGHCDQESS-QGZVFWFLSA-N 2 2 331.464 1.781 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000897587280 591569589 /nfs/dbraw/zinc/56/95/89/591569589.db2.gz MCROUGGHCDQESS-QGZVFWFLSA-N 2 2 331.464 1.781 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000897587280 591569593 /nfs/dbraw/zinc/56/95/93/591569593.db2.gz MCROUGGHCDQESS-QGZVFWFLSA-N 2 2 331.464 1.781 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c32)[C@H](c2ccccc2)C1 ZINC000895078861 591571380 /nfs/dbraw/zinc/57/13/80/591571380.db2.gz ZGYBPMDPUZDXRS-IXDOHACOSA-N 2 2 339.443 1.973 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c32)[C@H](c2ccccc2)C1 ZINC000895078861 591571386 /nfs/dbraw/zinc/57/13/86/591571386.db2.gz ZGYBPMDPUZDXRS-IXDOHACOSA-N 2 2 339.443 1.973 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000897649721 591604009 /nfs/dbraw/zinc/60/40/09/591604009.db2.gz JZCHLXWHWDWIAT-DTZQCDIJSA-N 2 2 339.480 1.693 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000897649721 591604010 /nfs/dbraw/zinc/60/40/10/591604010.db2.gz JZCHLXWHWDWIAT-DTZQCDIJSA-N 2 2 339.480 1.693 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000898993367 591632706 /nfs/dbraw/zinc/63/27/06/591632706.db2.gz HEULVKPMVUTVNM-IKGGRYGDSA-N 2 2 340.512 1.467 20 0 EDADLP Cc1[nH]c(CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[nH+]c1C ZINC000896922658 591682555 /nfs/dbraw/zinc/68/25/55/591682555.db2.gz ABTQHWHQGRXQML-UHFFFAOYSA-N 2 2 341.459 1.704 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896940012 591689783 /nfs/dbraw/zinc/68/97/83/591689783.db2.gz RPEQEWXZMLXAFJ-CJNGLKHVSA-N 2 2 337.468 1.263 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896940012 591689786 /nfs/dbraw/zinc/68/97/86/591689786.db2.gz RPEQEWXZMLXAFJ-CJNGLKHVSA-N 2 2 337.468 1.263 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000896940012 591689789 /nfs/dbraw/zinc/68/97/89/591689789.db2.gz RPEQEWXZMLXAFJ-CJNGLKHVSA-N 2 2 337.468 1.263 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000896940012 591689790 /nfs/dbraw/zinc/68/97/90/591689790.db2.gz RPEQEWXZMLXAFJ-CJNGLKHVSA-N 2 2 337.468 1.263 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896940013 591689843 /nfs/dbraw/zinc/68/98/43/591689843.db2.gz RPEQEWXZMLXAFJ-CZUORRHYSA-N 2 2 337.468 1.263 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000896940013 591689846 /nfs/dbraw/zinc/68/98/46/591689846.db2.gz RPEQEWXZMLXAFJ-CZUORRHYSA-N 2 2 337.468 1.263 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000896940013 591689848 /nfs/dbraw/zinc/68/98/48/591689848.db2.gz RPEQEWXZMLXAFJ-CZUORRHYSA-N 2 2 337.468 1.263 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000896940013 591689851 /nfs/dbraw/zinc/68/98/51/591689851.db2.gz RPEQEWXZMLXAFJ-CZUORRHYSA-N 2 2 337.468 1.263 20 0 EDADLP O=C(N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899133804 591696942 /nfs/dbraw/zinc/69/69/42/591696942.db2.gz DRCFSHFEMQRDHU-HOTGVXAUSA-N 2 2 344.390 1.475 20 0 EDADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000899184828 591723879 /nfs/dbraw/zinc/72/38/79/591723879.db2.gz SHPPLXUMENZSNY-DLBZAZTESA-N 2 2 342.443 1.113 20 0 EDADLP O=C(NCc1ccc(-c2c[nH]c[nH+]2)cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898041425 591766774 /nfs/dbraw/zinc/76/67/74/591766774.db2.gz XLYXJKMKZHHNQM-MRXNPFEDSA-N 2 2 326.400 1.414 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3Cc4ccccc4[C@H]3[NH3+])nc[nH+]2)C1 ZINC000900019667 591870536 /nfs/dbraw/zinc/87/05/36/591870536.db2.gz DPKDCRLIMCLXFB-UETVFIHBSA-N 2 2 339.443 1.720 20 0 EDADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000899613505 591870915 /nfs/dbraw/zinc/87/09/15/591870915.db2.gz DGFDCFDJJGKONT-MRXNPFEDSA-N 2 2 342.553 1.245 20 0 EDADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=S)NCCC[NH+]1CCOCC1 ZINC000899613505 591870919 /nfs/dbraw/zinc/87/09/19/591870919.db2.gz DGFDCFDJJGKONT-MRXNPFEDSA-N 2 2 342.553 1.245 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000900057586 591881156 /nfs/dbraw/zinc/88/11/56/591881156.db2.gz KPEPBTYYSVIBBY-UHFFFAOYSA-N 2 2 335.411 1.845 20 0 EDADLP COCC[C@@H]1CCN(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1=O ZINC000902196861 591942896 /nfs/dbraw/zinc/94/28/96/591942896.db2.gz TUGRYAGILRSOMD-VVLHAWIVSA-N 2 2 339.480 1.012 20 0 EDADLP COCC[C@@H]1CCN(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1=O ZINC000902196861 591942897 /nfs/dbraw/zinc/94/28/97/591942897.db2.gz TUGRYAGILRSOMD-VVLHAWIVSA-N 2 2 339.480 1.012 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000899808087 591945480 /nfs/dbraw/zinc/94/54/80/591945480.db2.gz AKWAQSVXOIVOAR-CABCVRRESA-N 2 2 325.416 1.578 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000899810520 591947312 /nfs/dbraw/zinc/94/73/12/591947312.db2.gz RKDXYNKLZXEJJX-OAHLLOKOSA-N 2 2 332.448 1.230 20 0 EDADLP O[C@H](C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1(O)CCOCC1 ZINC000899860785 591963421 /nfs/dbraw/zinc/96/34/21/591963421.db2.gz UAKXQDJLAZNLKY-QZTJIDSGSA-N 2 2 334.460 1.316 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@]34CCC[C@H]3[NH2+]CC4)[nH+]cn2)C1 ZINC000900356110 591993808 /nfs/dbraw/zinc/99/38/08/591993808.db2.gz BYQBWIYOAIRZGF-IIDMSEBBSA-N 2 2 331.464 1.629 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC[C@]34CCC[C@H]3[NH2+]CC4)nc[nH+]2)C1 ZINC000900356110 591993810 /nfs/dbraw/zinc/99/38/10/591993810.db2.gz BYQBWIYOAIRZGF-IIDMSEBBSA-N 2 2 331.464 1.629 20 0 EDADLP CCOC(=O)c1c(C)c2ccccc2nc1N1CC[NH2+]CC[NH2+]CC1 ZINC000900369851 591998653 /nfs/dbraw/zinc/99/86/53/591998653.db2.gz NKKCHMXUGGVRRW-UHFFFAOYSA-N 2 2 342.443 1.719 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000900390213 592004574 /nfs/dbraw/zinc/00/45/74/592004574.db2.gz CCRDEKSVYYUDHP-YJBOKZPZSA-N 2 2 332.448 1.143 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000900390213 592004576 /nfs/dbraw/zinc/00/45/76/592004576.db2.gz CCRDEKSVYYUDHP-YJBOKZPZSA-N 2 2 332.448 1.143 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000900399476 592007929 /nfs/dbraw/zinc/00/79/29/592007929.db2.gz GQMGGRJCYOBLJZ-SFHVURJKSA-N 2 2 328.416 1.335 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000900399476 592007932 /nfs/dbraw/zinc/00/79/32/592007932.db2.gz GQMGGRJCYOBLJZ-SFHVURJKSA-N 2 2 328.416 1.335 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000902522488 592010412 /nfs/dbraw/zinc/01/04/12/592010412.db2.gz XULUQQVJAANQHY-QJPTWQEYSA-N 2 2 325.844 1.535 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000902522489 592010492 /nfs/dbraw/zinc/01/04/92/592010492.db2.gz XULUQQVJAANQHY-SDDRHHMPSA-N 2 2 325.844 1.535 20 0 EDADLP [NH3+][C@@H]1c2ccccc2C[C@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000900421222 592014435 /nfs/dbraw/zinc/01/44/35/592014435.db2.gz MHGRTSJGGQQLAH-DDUZABMNSA-N 2 2 325.416 1.474 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000900478450 592029795 /nfs/dbraw/zinc/02/97/95/592029795.db2.gz LXLFWJODLCPQJS-VFVRVIDISA-N 2 2 334.464 1.067 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000900478450 592029798 /nfs/dbraw/zinc/02/97/98/592029798.db2.gz LXLFWJODLCPQJS-VFVRVIDISA-N 2 2 334.464 1.067 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)no1 ZINC000900498755 592037181 /nfs/dbraw/zinc/03/71/81/592037181.db2.gz OOJOZTLLBVVFTR-CHWSQXEVSA-N 2 2 335.452 1.499 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)no1 ZINC000900498755 592037184 /nfs/dbraw/zinc/03/71/84/592037184.db2.gz OOJOZTLLBVVFTR-CHWSQXEVSA-N 2 2 335.452 1.499 20 0 EDADLP CCCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)nn1 ZINC000902736686 592054523 /nfs/dbraw/zinc/05/45/23/592054523.db2.gz KBWMZLDNOKWLGW-OAHLLOKOSA-N 2 2 343.479 1.686 20 0 EDADLP CCCn1cc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)nn1 ZINC000902796108 592064536 /nfs/dbraw/zinc/06/45/36/592064536.db2.gz JGGRWUFLYOAZLH-CQSZACIVSA-N 2 2 336.484 1.281 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)Cc3c[nH]c[nH+]3)CC2)oc1C ZINC000900668503 592086470 /nfs/dbraw/zinc/08/64/70/592086470.db2.gz RULYAQVDAGGGDA-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000900754456 592107574 /nfs/dbraw/zinc/10/75/74/592107574.db2.gz JOKNDFCUPQUWDD-UHFFFAOYSA-N 2 2 347.507 1.806 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1COc2ccccc2C1 ZINC000903065903 592112649 /nfs/dbraw/zinc/11/26/49/592112649.db2.gz ZIUIQRCJBHHNGP-XIRDDKMYSA-N 2 2 331.460 1.556 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1COc2ccccc2C1 ZINC000903065903 592112652 /nfs/dbraw/zinc/11/26/52/592112652.db2.gz ZIUIQRCJBHHNGP-XIRDDKMYSA-N 2 2 331.460 1.556 20 0 EDADLP c1ccc([C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C2CC2)nc1 ZINC000903221526 592141483 /nfs/dbraw/zinc/14/14/83/592141483.db2.gz SDRZMHGWTSAPMG-UYAOXDASSA-N 2 2 344.503 1.919 20 0 EDADLP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000900801534 592143220 /nfs/dbraw/zinc/14/32/20/592143220.db2.gz BLYKBNVFEOTNKS-RHSMWYFYSA-N 2 2 343.475 1.655 20 0 EDADLP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC000900801534 592143222 /nfs/dbraw/zinc/14/32/22/592143222.db2.gz BLYKBNVFEOTNKS-RHSMWYFYSA-N 2 2 343.475 1.655 20 0 EDADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000903234885 592146113 /nfs/dbraw/zinc/14/61/13/592146113.db2.gz QVNCWEMSWHRYPX-VQHPVUNQSA-N 2 2 343.537 1.701 20 0 EDADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000903234885 592146115 /nfs/dbraw/zinc/14/61/15/592146115.db2.gz QVNCWEMSWHRYPX-VQHPVUNQSA-N 2 2 343.537 1.701 20 0 EDADLP C1C[C@H]([NH+]2CCC([NH2+][C@H]3CCCN4CCSC[C@H]34)CC2)CO1 ZINC000903272983 592149539 /nfs/dbraw/zinc/14/95/39/592149539.db2.gz SCYSDFMWDGYXFD-YESZJQIVSA-N 2 2 325.522 1.409 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@@H]1[NH+]1CCOCC1 ZINC000900880126 592155344 /nfs/dbraw/zinc/15/53/44/592155344.db2.gz OEWGKXFYXGGBKK-OWSLCNJRSA-N 2 2 335.492 1.573 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@@H]1[NH+]1CCOCC1 ZINC000900880126 592155346 /nfs/dbraw/zinc/15/53/46/592155346.db2.gz OEWGKXFYXGGBKK-OWSLCNJRSA-N 2 2 335.492 1.573 20 0 EDADLP CO[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCS(=O)(=O)C1 ZINC000903366947 592160499 /nfs/dbraw/zinc/16/04/99/592160499.db2.gz FZMPRXKPKJGHPA-QGZVFWFLSA-N 2 2 344.521 1.577 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCOCC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903446079 592173134 /nfs/dbraw/zinc/17/31/34/592173134.db2.gz SOAOETWTMVIOER-OAHLLOKOSA-N 2 2 343.427 1.126 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCOCC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000903446079 592173136 /nfs/dbraw/zinc/17/31/36/592173136.db2.gz SOAOETWTMVIOER-OAHLLOKOSA-N 2 2 343.427 1.126 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c1C ZINC000903469596 592175407 /nfs/dbraw/zinc/17/54/07/592175407.db2.gz VNVVENMBZXTYRQ-HNNXBMFYSA-N 2 2 330.432 1.826 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)NCCOc1cccc(F)c1 ZINC000903484802 592177773 /nfs/dbraw/zinc/17/77/73/592177773.db2.gz FNTWRXSLSYMEFJ-MRXNPFEDSA-N 2 2 335.423 1.585 20 0 EDADLP [NH3+][C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[C@H]1C(F)(F)F ZINC000903539689 592200972 /nfs/dbraw/zinc/20/09/72/592200972.db2.gz QILCWPODWKEDDU-CHWSQXEVSA-N 2 2 325.338 1.979 20 0 EDADLP [NH3+][C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[C@@H]1C(F)(F)F ZINC000903539691 592200987 /nfs/dbraw/zinc/20/09/87/592200987.db2.gz QILCWPODWKEDDU-QWHCGFSZSA-N 2 2 325.338 1.979 20 0 EDADLP C[NH2+]CCN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000903573104 592225834 /nfs/dbraw/zinc/22/58/34/592225834.db2.gz QPWLBYSKOLEEDB-UHFFFAOYSA-N 2 2 338.521 1.322 20 0 EDADLP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000907967119 592239712 /nfs/dbraw/zinc/23/97/12/592239712.db2.gz JDRIIRGOBXLBEI-UHFFFAOYSA-N 2 2 338.883 1.834 20 0 EDADLP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000907967119 592239714 /nfs/dbraw/zinc/23/97/14/592239714.db2.gz JDRIIRGOBXLBEI-UHFFFAOYSA-N 2 2 338.883 1.834 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCn3nc(C(C)(C)C)cc3C2)cnn1C ZINC000904389532 592241765 /nfs/dbraw/zinc/24/17/65/592241765.db2.gz MLNLYYVVXJHMKP-HNNXBMFYSA-N 2 2 344.507 1.856 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCn3nc(C(C)(C)C)cc3C2)cnn1C ZINC000904389532 592241772 /nfs/dbraw/zinc/24/17/72/592241772.db2.gz MLNLYYVVXJHMKP-HNNXBMFYSA-N 2 2 344.507 1.856 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906710490 592282304 /nfs/dbraw/zinc/28/23/04/592282304.db2.gz NLALUCHALBPNGW-QGZVFWFLSA-N 2 2 348.491 1.234 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000901206694 592286365 /nfs/dbraw/zinc/28/63/65/592286365.db2.gz SRTHPDIKHXEANQ-MRXNPFEDSA-N 2 2 333.480 1.152 20 0 EDADLP CCn1cc([C@@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cn1 ZINC000903759501 592306773 /nfs/dbraw/zinc/30/67/73/592306773.db2.gz QOIQJGRSQXIEIP-SJORKVTESA-N 2 2 334.464 1.435 20 0 EDADLP CCn1cc([C@@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cn1 ZINC000903759501 592306778 /nfs/dbraw/zinc/30/67/78/592306778.db2.gz QOIQJGRSQXIEIP-SJORKVTESA-N 2 2 334.464 1.435 20 0 EDADLP [NH3+][C@@H](Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1)C(F)F ZINC000904674410 592310745 /nfs/dbraw/zinc/31/07/45/592310745.db2.gz UEGADTLLWODTAD-STQMWFEESA-N 2 2 338.358 1.778 20 0 EDADLP [NH3+][C@@H](Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1)C(F)F ZINC000904674410 592310751 /nfs/dbraw/zinc/31/07/51/592310751.db2.gz UEGADTLLWODTAD-STQMWFEESA-N 2 2 338.358 1.778 20 0 EDADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903793351 592316126 /nfs/dbraw/zinc/31/61/26/592316126.db2.gz BCSMNRDOQBYRCC-UHFFFAOYSA-N 3 2 329.448 1.756 20 0 EDADLP NC(=O)c1cn[nH]c1[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779828 592320349 /nfs/dbraw/zinc/32/03/49/592320349.db2.gz BPWIWWBRRQIGGM-ZFWWWQNUSA-N 2 2 347.463 1.194 20 0 EDADLP NC(=O)c1cn[nH]c1[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779828 592320352 /nfs/dbraw/zinc/32/03/52/592320352.db2.gz BPWIWWBRRQIGGM-ZFWWWQNUSA-N 2 2 347.463 1.194 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000903960781 592391640 /nfs/dbraw/zinc/39/16/40/592391640.db2.gz ZJLDCCLDVCNNOS-INIZCTEOSA-N 2 2 341.463 1.674 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000903960781 592391642 /nfs/dbraw/zinc/39/16/42/592391642.db2.gz ZJLDCCLDVCNNOS-INIZCTEOSA-N 3 2 341.463 1.674 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904306840 592472894 /nfs/dbraw/zinc/47/28/94/592472894.db2.gz DWJPEXCNPACQFW-JKSUJKDBSA-N 2 2 326.529 1.672 20 0 EDADLP CCN(CC)c1ccc(CNS(=O)(=O)CC2CC[NH2+]CC2)c[nH+]1 ZINC000905335219 592509282 /nfs/dbraw/zinc/50/92/82/592509282.db2.gz YOUYKPCUTLUTJY-UHFFFAOYSA-N 2 2 340.493 1.347 20 0 EDADLP C[NH+]1CCC2(CCC(NC(=O)C(C)(C)[NH+]3CCOCC3)CC2)CC1 ZINC000908494849 592509367 /nfs/dbraw/zinc/50/93/67/592509367.db2.gz OPINBHMWSCGCOL-UHFFFAOYSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1cc(NCC[NH2+]C[C@H](O)CC2(O)CCCC2)nc(C(C)C)[nH+]1 ZINC000905386525 592514315 /nfs/dbraw/zinc/51/43/15/592514315.db2.gz UGHLUQVYFRTKER-OAHLLOKOSA-N 2 2 336.480 1.966 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC000905367622 592517029 /nfs/dbraw/zinc/51/70/29/592517029.db2.gz KYFHVDCUHHHBKJ-GBESFXJTSA-N 2 2 336.476 1.298 20 0 EDADLP OCCC[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC000905367622 592517030 /nfs/dbraw/zinc/51/70/30/592517030.db2.gz KYFHVDCUHHHBKJ-GBESFXJTSA-N 2 2 336.476 1.298 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCC(CO)([NH2+]C(C)C)CC3)cc2[nH+]1 ZINC000908612303 592561612 /nfs/dbraw/zinc/56/16/12/592561612.db2.gz IJALFYKGJRQMRT-UHFFFAOYSA-N 2 2 330.432 1.608 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@H](O)COCc2ccco2)n1 ZINC000905528143 592562469 /nfs/dbraw/zinc/56/24/69/592562469.db2.gz FSZASKQXWGZWBB-ZDUSSCGKSA-N 2 2 325.434 1.465 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)COCc2ccco2)n1 ZINC000905528142 592562483 /nfs/dbraw/zinc/56/24/83/592562483.db2.gz FSZASKQXWGZWBB-CYBMUJFWSA-N 2 2 325.434 1.465 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000907288787 592585953 /nfs/dbraw/zinc/58/59/53/592585953.db2.gz WZSWLCDNOANOEO-KRWDZBQOSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000907288787 592585956 /nfs/dbraw/zinc/58/59/56/592585956.db2.gz WZSWLCDNOANOEO-KRWDZBQOSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000907288787 592585959 /nfs/dbraw/zinc/58/59/59/592585959.db2.gz WZSWLCDNOANOEO-KRWDZBQOSA-N 2 2 328.416 1.225 20 0 EDADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905623955 592589441 /nfs/dbraw/zinc/58/94/41/592589441.db2.gz KAZNXICJGZOIPM-MOPGFXCFSA-N 2 2 348.487 1.832 20 0 EDADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905623955 592589442 /nfs/dbraw/zinc/58/94/42/592589442.db2.gz KAZNXICJGZOIPM-MOPGFXCFSA-N 2 2 348.487 1.832 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)COCc1ccccc1 ZINC000905617807 592595359 /nfs/dbraw/zinc/59/53/59/592595359.db2.gz FEBOZNWJRBRERY-RTBURBONSA-N 2 2 334.460 1.407 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)COCc1ccccc1 ZINC000905617807 592595360 /nfs/dbraw/zinc/59/53/60/592595360.db2.gz FEBOZNWJRBRERY-RTBURBONSA-N 2 2 334.460 1.407 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905619171 592596226 /nfs/dbraw/zinc/59/62/26/592596226.db2.gz LUXVXBNPVWCABF-RBUKOAKNSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905619171 592596230 /nfs/dbraw/zinc/59/62/30/592596230.db2.gz LUXVXBNPVWCABF-RBUKOAKNSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)c[nH+]1 ZINC000907383528 592619738 /nfs/dbraw/zinc/61/97/38/592619738.db2.gz HQKUVTSSOKNFOW-CALCHBBNSA-N 2 2 347.507 1.601 20 0 EDADLP CCn1c([C@@H]2C[NH+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000908831711 592636372 /nfs/dbraw/zinc/63/63/72/592636372.db2.gz VYENWTIUUFLXGX-LDDOYCOJSA-N 2 2 348.495 1.078 20 0 EDADLP CCn1c([C@@H]2C[N@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000908831711 592636376 /nfs/dbraw/zinc/63/63/76/592636376.db2.gz VYENWTIUUFLXGX-LDDOYCOJSA-N 2 2 348.495 1.078 20 0 EDADLP CCn1c([C@@H]2C[N@@H+](C)C[C@@H](C)O2)nnc1N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000908831711 592636380 /nfs/dbraw/zinc/63/63/80/592636380.db2.gz VYENWTIUUFLXGX-LDDOYCOJSA-N 2 2 348.495 1.078 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@@H](O)C3(O)CCCC3)CC2)S1 ZINC000905943929 592695457 /nfs/dbraw/zinc/69/54/57/592695457.db2.gz IOWDPDLSLRNGKN-CYBMUJFWSA-N 2 2 327.494 1.151 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCO1 ZINC000907561635 592709218 /nfs/dbraw/zinc/70/92/18/592709218.db2.gz VATYJIANQWFUNQ-DLTWYDFYSA-N 2 2 332.448 1.773 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCO1 ZINC000907561635 592709221 /nfs/dbraw/zinc/70/92/21/592709221.db2.gz VATYJIANQWFUNQ-DLTWYDFYSA-N 2 2 332.448 1.773 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907569354 592714628 /nfs/dbraw/zinc/71/46/28/592714628.db2.gz LWMXQLPWTFJSFK-AWEZNQCLSA-N 2 2 330.432 1.223 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000906016143 592727870 /nfs/dbraw/zinc/72/78/70/592727870.db2.gz USJIOWFCJLPFTO-KRWDZBQOSA-N 2 2 346.475 1.656 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000906016143 592727873 /nfs/dbraw/zinc/72/78/73/592727873.db2.gz USJIOWFCJLPFTO-KRWDZBQOSA-N 2 2 346.475 1.656 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906172055 592755207 /nfs/dbraw/zinc/75/52/07/592755207.db2.gz GOEHQOWZFHQDIK-KRWDZBQOSA-N 2 2 348.491 1.282 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906172055 592755208 /nfs/dbraw/zinc/75/52/08/592755208.db2.gz GOEHQOWZFHQDIK-KRWDZBQOSA-N 2 2 348.491 1.282 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000907796981 592798600 /nfs/dbraw/zinc/79/86/00/592798600.db2.gz RBRZSOZJPZTRCD-KDOFPFPSSA-N 2 2 333.432 1.215 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000907796981 592798603 /nfs/dbraw/zinc/79/86/03/592798603.db2.gz RBRZSOZJPZTRCD-KDOFPFPSSA-N 2 2 333.432 1.215 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000910604366 592880040 /nfs/dbraw/zinc/88/00/40/592880040.db2.gz KEWQPXQFKSOCHV-CQSZACIVSA-N 2 2 349.479 1.510 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000910843549 592895978 /nfs/dbraw/zinc/89/59/78/592895978.db2.gz SIQYLJCRCKTFNU-CQSZACIVSA-N 2 2 347.463 1.026 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000910843549 592895979 /nfs/dbraw/zinc/89/59/79/592895979.db2.gz SIQYLJCRCKTFNU-CQSZACIVSA-N 2 2 347.463 1.026 20 0 EDADLP Cc1cc(Br)c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000911875156 593029086 /nfs/dbraw/zinc/02/90/86/593029086.db2.gz JSJMIZYIFOBYMJ-JTQLQIEISA-N 2 2 346.294 1.463 20 0 EDADLP Cc1cc(Br)c(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000911875156 593029088 /nfs/dbraw/zinc/02/90/88/593029088.db2.gz JSJMIZYIFOBYMJ-JTQLQIEISA-N 2 2 346.294 1.463 20 0 EDADLP COC(=O)c1ncn(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000782943572 593130529 /nfs/dbraw/zinc/13/05/29/593130529.db2.gz VMYKZHVMXRGNIU-UHFFFAOYSA-N 2 2 332.408 1.411 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C[C@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085555 593152890 /nfs/dbraw/zinc/15/28/90/593152890.db2.gz FSMMDZRJYALZLH-APWZRJJASA-N 2 2 328.460 1.773 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C[C@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085555 593152892 /nfs/dbraw/zinc/15/28/92/593152892.db2.gz FSMMDZRJYALZLH-APWZRJJASA-N 2 2 328.460 1.773 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C[C@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085555 593152894 /nfs/dbraw/zinc/15/28/94/593152894.db2.gz FSMMDZRJYALZLH-APWZRJJASA-N 2 2 328.460 1.773 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C[C@H](c4ccccn4)CC3=O)C2)C1 ZINC000840085555 593152895 /nfs/dbraw/zinc/15/28/95/593152895.db2.gz FSMMDZRJYALZLH-APWZRJJASA-N 2 2 328.460 1.773 20 0 EDADLP Cn1cc([C@@H]2N(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)C(=O)C2(C)C)cn1 ZINC000808173418 593234067 /nfs/dbraw/zinc/23/40/67/593234067.db2.gz IKWGBOJGLNAMHL-ZFWWWQNUSA-N 2 2 342.447 1.510 20 0 EDADLP Cn1cc([C@@H]2N(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)C(=O)C2(C)C)cn1 ZINC000808173418 593234070 /nfs/dbraw/zinc/23/40/70/593234070.db2.gz IKWGBOJGLNAMHL-ZFWWWQNUSA-N 2 2 342.447 1.510 20 0 EDADLP Cn1c[nH+]c(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000808399943 593256817 /nfs/dbraw/zinc/25/68/17/593256817.db2.gz ZBCBEMZZOVLFJI-OAHLLOKOSA-N 2 2 327.432 1.730 20 0 EDADLP Cn1c[nH+]c(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000808399943 593256820 /nfs/dbraw/zinc/25/68/20/593256820.db2.gz ZBCBEMZZOVLFJI-OAHLLOKOSA-N 2 2 327.432 1.730 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)[C@H](C2CC2)[C@@]12CCCO2 ZINC000840012388 593347518 /nfs/dbraw/zinc/34/75/18/593347518.db2.gz RDCWZDYONOKDTI-POAQFYNOSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)[C@H](C2CC2)[C@@]12CCCO2 ZINC000840012388 593347520 /nfs/dbraw/zinc/34/75/20/593347520.db2.gz RDCWZDYONOKDTI-POAQFYNOSA-N 2 2 347.503 1.922 20 0 EDADLP NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000839644561 593363003 /nfs/dbraw/zinc/36/30/03/593363003.db2.gz XOIVRKIUISVPDU-HXUWFJFHSA-N 2 2 347.422 1.896 20 0 EDADLP NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000839644561 593363005 /nfs/dbraw/zinc/36/30/05/593363005.db2.gz XOIVRKIUISVPDU-HXUWFJFHSA-N 2 2 347.422 1.896 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)CC[C@@H]21 ZINC000840025809 593388837 /nfs/dbraw/zinc/38/88/37/593388837.db2.gz DUQYYKSYAAWVJK-DFEOGRTESA-N 2 2 333.476 1.530 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)CC[C@@H]21 ZINC000840025809 593388838 /nfs/dbraw/zinc/38/88/38/593388838.db2.gz DUQYYKSYAAWVJK-DFEOGRTESA-N 2 2 333.476 1.530 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)CC[C@@H]21 ZINC000840025809 593388839 /nfs/dbraw/zinc/38/88/39/593388839.db2.gz DUQYYKSYAAWVJK-DFEOGRTESA-N 2 2 333.476 1.530 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)CC[C@@H]21 ZINC000840025809 593388847 /nfs/dbraw/zinc/38/88/47/593388847.db2.gz DUQYYKSYAAWVJK-DFEOGRTESA-N 2 2 333.476 1.530 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000810448763 593403047 /nfs/dbraw/zinc/40/30/47/593403047.db2.gz SVQYETZNGJFHGA-QAPCUYQASA-N 2 2 341.471 1.522 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000810448763 593403050 /nfs/dbraw/zinc/40/30/50/593403050.db2.gz SVQYETZNGJFHGA-QAPCUYQASA-N 2 2 341.471 1.522 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000806388483 593442110 /nfs/dbraw/zinc/44/21/10/593442110.db2.gz QQJKLZGGZRPMCZ-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000806388483 593442112 /nfs/dbraw/zinc/44/21/12/593442112.db2.gz QQJKLZGGZRPMCZ-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]([C@H]2CCCO2)C12CCC2 ZINC000811749038 593478396 /nfs/dbraw/zinc/47/83/96/593478396.db2.gz QSVIQUSNXAPULG-KURKYZTESA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]([C@H]2CCCO2)C12CCC2 ZINC000811749038 593478397 /nfs/dbraw/zinc/47/83/97/593478397.db2.gz QSVIQUSNXAPULG-KURKYZTESA-N 2 2 347.503 1.922 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)C3(CCC3)[C@H]2[C@@H]2CCCO2)C1 ZINC000811759949 593479447 /nfs/dbraw/zinc/47/94/47/593479447.db2.gz IZCIUQXWYPXPFS-OWCLPIDISA-N 2 2 344.459 1.727 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)C3(CCC3)[C@H]2[C@@H]2CCCO2)C1 ZINC000811759949 593479448 /nfs/dbraw/zinc/47/94/48/593479448.db2.gz IZCIUQXWYPXPFS-OWCLPIDISA-N 2 2 344.459 1.727 20 0 EDADLP CC[C@H](C)CONC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000813613031 593543509 /nfs/dbraw/zinc/54/35/09/593543509.db2.gz ABSMTSFRAHZGRV-AWEZNQCLSA-N 2 2 326.485 1.822 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000817152513 593577081 /nfs/dbraw/zinc/57/70/81/593577081.db2.gz FJBOBRCECAITOB-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000817152513 593577084 /nfs/dbraw/zinc/57/70/84/593577084.db2.gz FJBOBRCECAITOB-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP CCCOC(=O)[C@@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817286622 593589147 /nfs/dbraw/zinc/58/91/47/593589147.db2.gz WFEWFKGZNRKSPW-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP CCCOC(=O)[C@@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817286622 593589149 /nfs/dbraw/zinc/58/91/49/593589149.db2.gz WFEWFKGZNRKSPW-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP O=C(C[N@H+]1CC[C@H](O)C12CCCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000814668004 593600339 /nfs/dbraw/zinc/60/03/39/593600339.db2.gz VQZHSBFPANBUSC-KRWDZBQOSA-N 2 2 347.459 1.303 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](O)C12CCCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000814668004 593600342 /nfs/dbraw/zinc/60/03/42/593600342.db2.gz VQZHSBFPANBUSC-KRWDZBQOSA-N 2 2 347.459 1.303 20 0 EDADLP COC(C)(C)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000815592569 593643730 /nfs/dbraw/zinc/64/37/30/593643730.db2.gz MAJITCUYDPRXOD-MRXNPFEDSA-N 2 2 333.476 1.734 20 0 EDADLP O[C@](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)(c1ccccc1)C(F)(F)F ZINC000817893333 593646168 /nfs/dbraw/zinc/64/61/68/593646168.db2.gz YIZHFMHUKRAJHS-BZUAXINKSA-N 2 2 344.377 1.793 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000818950602 593729712 /nfs/dbraw/zinc/72/97/12/593729712.db2.gz VYNXDTPXQVMSQC-SFHVURJKSA-N 2 2 341.459 1.312 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C[N@@H+]1C1CC1 ZINC000819143812 593741045 /nfs/dbraw/zinc/74/10/45/593741045.db2.gz NLJYYIWWFJZQOH-IFIJOSMWSA-N 2 2 338.473 1.338 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C[N@H+]1C1CC1 ZINC000819143812 593741046 /nfs/dbraw/zinc/74/10/46/593741046.db2.gz NLJYYIWWFJZQOH-IFIJOSMWSA-N 2 2 338.473 1.338 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000819143984 593741273 /nfs/dbraw/zinc/74/12/73/593741273.db2.gz SALOGBIAFKCMCW-IPYPFGDCSA-N 2 2 327.469 1.477 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000819143984 593741274 /nfs/dbraw/zinc/74/12/74/593741274.db2.gz SALOGBIAFKCMCW-IPYPFGDCSA-N 2 2 327.469 1.477 20 0 EDADLP CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CCC2 ZINC000819220414 593744964 /nfs/dbraw/zinc/74/49/64/593744964.db2.gz OITDBANVXAHQDF-IAGOWNOFSA-N 2 2 335.496 1.039 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000820810399 593894988 /nfs/dbraw/zinc/89/49/88/593894988.db2.gz WGPOEQBTYQGDHL-QWFCFKBJSA-N 3 2 330.520 1.875 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000820810399 593894990 /nfs/dbraw/zinc/89/49/90/593894990.db2.gz WGPOEQBTYQGDHL-QWFCFKBJSA-N 3 2 330.520 1.875 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821691249 593916110 /nfs/dbraw/zinc/91/61/10/593916110.db2.gz NWNGZEPHHFUVOD-AWEZNQCLSA-N 2 2 334.399 1.206 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821691249 593916111 /nfs/dbraw/zinc/91/61/11/593916111.db2.gz NWNGZEPHHFUVOD-AWEZNQCLSA-N 2 2 334.399 1.206 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568584 594040101 /nfs/dbraw/zinc/04/01/01/594040101.db2.gz AVUFMMBTFRMNOO-CZUORRHYSA-N 2 2 330.436 1.364 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824586306 594042979 /nfs/dbraw/zinc/04/29/79/594042979.db2.gz XVCBRCNGFZHIMK-MAZHCROVSA-N 2 2 328.420 1.381 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(-c2nn[nH]n2)c1 ZINC000824586306 594042981 /nfs/dbraw/zinc/04/29/81/594042981.db2.gz XVCBRCNGFZHIMK-MAZHCROVSA-N 2 2 328.420 1.381 20 0 EDADLP C[C@H](NCC[NH+]1CCC(O)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000825111556 594131407 /nfs/dbraw/zinc/13/14/07/594131407.db2.gz OJWPWDVSCXUGHB-FXAWDEMLSA-N 2 2 347.503 1.322 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(=O)cc[nH]3)CC2)CC1 ZINC000823114719 594155438 /nfs/dbraw/zinc/15/54/38/594155438.db2.gz YMPNMVAGIABEJV-UHFFFAOYSA-N 2 2 332.448 1.007 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(=O)cc[nH]3)CC2)CC1 ZINC000823114719 594155439 /nfs/dbraw/zinc/15/54/39/594155439.db2.gz YMPNMVAGIABEJV-UHFFFAOYSA-N 2 2 332.448 1.007 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)Cc3ccc[nH+]c3N2C1 ZINC000825259408 594157028 /nfs/dbraw/zinc/15/70/28/594157028.db2.gz OWVKHXSVSFZLQM-CVEARBPZSA-N 2 2 330.432 1.113 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000825369594 594174322 /nfs/dbraw/zinc/17/43/22/594174322.db2.gz XUUGIAVFMVCYLF-SFHVURJKSA-N 2 2 331.460 1.408 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000825369594 594174324 /nfs/dbraw/zinc/17/43/24/594174324.db2.gz XUUGIAVFMVCYLF-SFHVURJKSA-N 2 2 331.460 1.408 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825451584 594187027 /nfs/dbraw/zinc/18/70/27/594187027.db2.gz JMDOQLTWSRXLEZ-CVEARBPZSA-N 2 2 342.447 1.934 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825451584 594187028 /nfs/dbraw/zinc/18/70/28/594187028.db2.gz JMDOQLTWSRXLEZ-CVEARBPZSA-N 2 2 342.447 1.934 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825451584 594187029 /nfs/dbraw/zinc/18/70/29/594187029.db2.gz JMDOQLTWSRXLEZ-CVEARBPZSA-N 2 2 342.447 1.934 20 0 EDADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825451584 594187030 /nfs/dbraw/zinc/18/70/30/594187030.db2.gz JMDOQLTWSRXLEZ-CVEARBPZSA-N 2 2 342.447 1.934 20 0 EDADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000827544982 594229629 /nfs/dbraw/zinc/22/96/29/594229629.db2.gz QEDZJTROIGXDOL-GFCCVEGCSA-N 2 2 325.482 1.392 20 0 EDADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000827544982 594229631 /nfs/dbraw/zinc/22/96/31/594229631.db2.gz QEDZJTROIGXDOL-GFCCVEGCSA-N 2 2 325.482 1.392 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000826183474 594367139 /nfs/dbraw/zinc/36/71/39/594367139.db2.gz QEUMGJJNFTZIGI-CYBMUJFWSA-N 2 2 339.403 1.978 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000826183474 594367141 /nfs/dbraw/zinc/36/71/41/594367141.db2.gz QEUMGJJNFTZIGI-CYBMUJFWSA-N 2 2 339.403 1.978 20 0 EDADLP Cc1cc[nH+]c(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826313659 594420407 /nfs/dbraw/zinc/42/04/07/594420407.db2.gz ORKHHMFTCQEAER-OKILXGFUSA-N 2 2 345.451 1.871 20 0 EDADLP Cc1cc[nH+]c(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826313659 594420409 /nfs/dbraw/zinc/42/04/09/594420409.db2.gz ORKHHMFTCQEAER-OKILXGFUSA-N 2 2 345.451 1.871 20 0 EDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000826513118 594511332 /nfs/dbraw/zinc/51/13/32/594511332.db2.gz ALJARBCQLJPFKO-INIZCTEOSA-N 2 2 328.420 1.210 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC000826557685 594525642 /nfs/dbraw/zinc/52/56/42/594525642.db2.gz OGPKGNBQJFYGBF-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000826557685 594525644 /nfs/dbraw/zinc/52/56/44/594525644.db2.gz OGPKGNBQJFYGBF-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000826557685 594525645 /nfs/dbraw/zinc/52/56/45/594525645.db2.gz OGPKGNBQJFYGBF-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000826557685 594525647 /nfs/dbraw/zinc/52/56/47/594525647.db2.gz OGPKGNBQJFYGBF-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)c1 ZINC000826565651 594527996 /nfs/dbraw/zinc/52/79/96/594527996.db2.gz XALFHDOLLCSOGL-SFHVURJKSA-N 2 2 342.443 1.599 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)c1 ZINC000826565651 594527997 /nfs/dbraw/zinc/52/79/97/594527997.db2.gz XALFHDOLLCSOGL-SFHVURJKSA-N 2 2 342.443 1.599 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC000826596234 594535672 /nfs/dbraw/zinc/53/56/72/594535672.db2.gz AKSJIUYOXGVQIU-KRWDZBQOSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)cc1 ZINC000826596234 594535674 /nfs/dbraw/zinc/53/56/74/594535674.db2.gz AKSJIUYOXGVQIU-KRWDZBQOSA-N 2 2 342.443 1.668 20 0 EDADLP C[C@@H](C(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)N1CC[NH+](C)CC1 ZINC000829064155 594561077 /nfs/dbraw/zinc/56/10/77/594561077.db2.gz LGLDZDVPDPOCNC-RDJZCZTQSA-N 2 2 343.475 1.029 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C[C@@H]([NH3+])C2CC2)[NH+]2CCOCC2)c1 ZINC000827025031 594626159 /nfs/dbraw/zinc/62/61/59/594626159.db2.gz ZAUILBDUABRVRA-QZTJIDSGSA-N 2 2 331.460 1.612 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000827138381 594646776 /nfs/dbraw/zinc/64/67/76/594646776.db2.gz VUCPKJLOQYPAQM-QLFBSQMISA-N 2 2 337.468 1.715 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000827138381 594646778 /nfs/dbraw/zinc/64/67/78/594646778.db2.gz VUCPKJLOQYPAQM-QLFBSQMISA-N 2 2 337.468 1.715 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)/C=C\c2cn(C)c[nH+]2)cc1 ZINC000827167796 594650088 /nfs/dbraw/zinc/65/00/88/594650088.db2.gz SUPKDWWZWGUDLT-AFCDSYGPSA-N 2 2 340.427 1.833 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)/C=C\c2cn(C)c[nH+]2)cc1 ZINC000827167796 594650089 /nfs/dbraw/zinc/65/00/89/594650089.db2.gz SUPKDWWZWGUDLT-AFCDSYGPSA-N 2 2 340.427 1.833 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([NH+]4CCN(C)CC4)CC3)ccn12 ZINC000827430845 594671173 /nfs/dbraw/zinc/67/11/73/594671173.db2.gz WUIUZAAMDQMXJE-UHFFFAOYSA-N 2 2 341.459 1.495 20 0 EDADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000832596796 594762565 /nfs/dbraw/zinc/76/25/65/594762565.db2.gz HUGUANZZXHNJPV-HRCADAONSA-N 2 2 339.480 1.384 20 0 EDADLP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000832596796 594762566 /nfs/dbraw/zinc/76/25/66/594762566.db2.gz HUGUANZZXHNJPV-HRCADAONSA-N 2 2 339.480 1.384 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000841689844 594938090 /nfs/dbraw/zinc/93/80/90/594938090.db2.gz GZVSMMWXWNLVTI-DZGCQCFKSA-N 2 2 328.420 1.584 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)c1C ZINC000841764971 594948748 /nfs/dbraw/zinc/94/87/48/594948748.db2.gz LFMGPQBJUHQEJY-UHFFFAOYSA-N 2 2 332.448 1.992 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000841838340 594961658 /nfs/dbraw/zinc/96/16/58/594961658.db2.gz YQCXUTZAUXYHNY-OAHLLOKOSA-N 2 2 331.464 1.383 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000841838340 594961661 /nfs/dbraw/zinc/96/16/61/594961661.db2.gz YQCXUTZAUXYHNY-OAHLLOKOSA-N 2 2 331.464 1.383 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000836524334 594972234 /nfs/dbraw/zinc/97/22/34/594972234.db2.gz UXSGHWGLIRWEBS-BMFZPTHFSA-N 2 2 329.448 1.986 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000836524334 594972235 /nfs/dbraw/zinc/97/22/35/594972235.db2.gz UXSGHWGLIRWEBS-BMFZPTHFSA-N 2 2 329.448 1.986 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)CC(C)(C)C[NH3+] ZINC000843354912 595085296 /nfs/dbraw/zinc/08/52/96/595085296.db2.gz LFGUXBZTIYVUJV-UHFFFAOYSA-N 2 2 346.475 1.346 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(N2CCCC2=O)cc1)CC(C)(C)C[NH3+] ZINC000843354912 595085300 /nfs/dbraw/zinc/08/53/00/595085300.db2.gz LFGUXBZTIYVUJV-UHFFFAOYSA-N 2 2 346.475 1.346 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NCCc1c(F)cccc1F ZINC000843360537 595087052 /nfs/dbraw/zinc/08/70/52/595087052.db2.gz BVIWIRLLEUJIQV-AGUYFDCRSA-N 2 2 337.414 1.968 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NCCc1c(F)cccc1F ZINC000843360537 595087056 /nfs/dbraw/zinc/08/70/56/595087056.db2.gz BVIWIRLLEUJIQV-AGUYFDCRSA-N 2 2 337.414 1.968 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843382322 595095855 /nfs/dbraw/zinc/09/58/55/595095855.db2.gz MHEHWNJYORKTCH-XIKOKIGWSA-N 2 2 343.431 1.671 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843382322 595095858 /nfs/dbraw/zinc/09/58/58/595095858.db2.gz MHEHWNJYORKTCH-XIKOKIGWSA-N 2 2 343.431 1.671 20 0 EDADLP CC(C)(C[NH+]1CCCC1)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000837488309 595123508 /nfs/dbraw/zinc/12/35/08/595123508.db2.gz AEAJWYZFOAUYPP-UHFFFAOYSA-N 2 2 342.447 1.941 20 0 EDADLP [NH3+][C@H](Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)C1CC1 ZINC000842571231 595130289 /nfs/dbraw/zinc/13/02/89/595130289.db2.gz VGZTZNYLIRZIIX-MRXNPFEDSA-N 2 2 328.416 1.849 20 0 EDADLP CCON(C)C(=O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000846065805 595134692 /nfs/dbraw/zinc/13/46/92/595134692.db2.gz ULYAJCQEXYHQHD-UHFFFAOYSA-N 2 2 337.439 1.832 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844165594 595288584 /nfs/dbraw/zinc/28/85/84/595288584.db2.gz KSLMWRMYGZCWPL-HNNXBMFYSA-N 2 2 330.432 1.620 20 0 EDADLP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000844195520 595299452 /nfs/dbraw/zinc/29/94/52/595299452.db2.gz VXBRIPJJASNFMK-UHFFFAOYSA-N 2 2 337.387 1.641 20 0 EDADLP COC[C@H]1CC[N@@H+]1CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844708237 595380273 /nfs/dbraw/zinc/38/02/73/595380273.db2.gz YKIDUIJKNRSYLB-OTWHNJEPSA-N 2 2 343.471 1.645 20 0 EDADLP COC[C@H]1CC[N@H+]1CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844708237 595380277 /nfs/dbraw/zinc/38/02/77/595380277.db2.gz YKIDUIJKNRSYLB-OTWHNJEPSA-N 2 2 343.471 1.645 20 0 EDADLP COC[C@H]1CC[NH+]1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844708237 595380279 /nfs/dbraw/zinc/38/02/79/595380279.db2.gz YKIDUIJKNRSYLB-OTWHNJEPSA-N 2 2 343.471 1.645 20 0 EDADLP COC[C@H]1CC[NH+]1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844708237 595380282 /nfs/dbraw/zinc/38/02/82/595380282.db2.gz YKIDUIJKNRSYLB-OTWHNJEPSA-N 2 2 343.471 1.645 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)c2ccn(CC[NH+](C)C)n2)c1C ZINC000847408617 595413147 /nfs/dbraw/zinc/41/31/47/595413147.db2.gz AORWGXUAZFFLMR-UHFFFAOYSA-N 2 2 331.420 1.395 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)s1 ZINC000848921268 595467876 /nfs/dbraw/zinc/46/78/76/595467876.db2.gz QQFSIQDICKUFQS-OAHLLOKOSA-N 2 2 336.505 1.941 20 0 EDADLP COc1cccc(NC(=[NH2+])NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC000849115638 595484345 /nfs/dbraw/zinc/48/43/45/595484345.db2.gz AHTMLKNNASLHFV-UHFFFAOYSA-N 2 2 348.447 1.513 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852870652 595590317 /nfs/dbraw/zinc/59/03/17/595590317.db2.gz OVZRTLYVZWKODT-HNNXBMFYSA-N 2 2 345.447 1.250 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000857982888 595676323 /nfs/dbraw/zinc/67/63/23/595676323.db2.gz NPYYFKWBUZQROH-FUHWJXTLSA-N 2 2 340.427 1.642 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1coc(C2CCOCC2)n1 ZINC000855414991 595704410 /nfs/dbraw/zinc/70/44/10/595704410.db2.gz PBWUWIUVQNKUTR-UHFFFAOYSA-N 2 2 338.452 1.182 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1coc(C2CCOCC2)n1 ZINC000855414991 595704412 /nfs/dbraw/zinc/70/44/12/595704412.db2.gz PBWUWIUVQNKUTR-UHFFFAOYSA-N 2 2 338.452 1.182 20 0 EDADLP CN(C)c1c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc(F)c1F ZINC000858126723 595707024 /nfs/dbraw/zinc/70/70/24/595707024.db2.gz HNTYYDRDLLTCDZ-KGLIPLIRSA-N 2 2 325.403 1.984 20 0 EDADLP CN(C)c1c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc(F)c1F ZINC000858126723 595707026 /nfs/dbraw/zinc/70/70/26/595707026.db2.gz HNTYYDRDLLTCDZ-KGLIPLIRSA-N 2 2 325.403 1.984 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc[nH+]2)CC1 ZINC000853241577 595717069 /nfs/dbraw/zinc/71/70/69/595717069.db2.gz LUZHSPJHMLHDJK-CABCVRRESA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)nc[nH+]2)CC1 ZINC000853241577 595717072 /nfs/dbraw/zinc/71/70/72/595717072.db2.gz LUZHSPJHMLHDJK-CABCVRRESA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)[nH+]cn2)CC1 ZINC000853241577 595717075 /nfs/dbraw/zinc/71/70/75/595717075.db2.gz LUZHSPJHMLHDJK-CABCVRRESA-N 2 2 347.463 1.103 20 0 EDADLP CC1(O)CCN(c2cc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)[nH+]cn2)CC1 ZINC000853241577 595717078 /nfs/dbraw/zinc/71/70/78/595717078.db2.gz LUZHSPJHMLHDJK-CABCVRRESA-N 2 2 347.463 1.103 20 0 EDADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[N@H+](C)C1 ZINC000853270488 595724702 /nfs/dbraw/zinc/72/47/02/595724702.db2.gz YZTMQPGFRWQBSA-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[N@@H+](C)C1 ZINC000853270488 595724706 /nfs/dbraw/zinc/72/47/06/595724706.db2.gz YZTMQPGFRWQBSA-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000853466132 595759347 /nfs/dbraw/zinc/75/93/47/595759347.db2.gz SUIBTULIINXPJC-MRXNPFEDSA-N 3 2 327.517 1.044 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000853466132 595759349 /nfs/dbraw/zinc/75/93/49/595759349.db2.gz SUIBTULIINXPJC-MRXNPFEDSA-N 3 2 327.517 1.044 20 0 EDADLP Cc1[nH+]cc(CNc2ccc(OCCN3CC[NH+](C)CC3)cc2)n1C ZINC000850166655 595761803 /nfs/dbraw/zinc/76/18/03/595761803.db2.gz DFOZWNNJNRDUMI-UHFFFAOYSA-N 2 2 343.475 1.967 20 0 EDADLP Cc1[nH+]cc(CNc2ccc(OCC[NH+]3CCN(C)CC3)cc2)n1C ZINC000850166655 595761806 /nfs/dbraw/zinc/76/18/06/595761806.db2.gz DFOZWNNJNRDUMI-UHFFFAOYSA-N 2 2 343.475 1.967 20 0 EDADLP C[NH+]1CCN(c2ccc(Nc3nc(N)[nH+]c(N)n3)cc2Cl)CC1 ZINC000858377776 595779819 /nfs/dbraw/zinc/77/98/19/595779819.db2.gz CTOABQZVXOXWSP-UHFFFAOYSA-N 2 2 334.815 1.185 20 0 EDADLP Cc1cccn2c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c[nH+]c12 ZINC000850364821 595819928 /nfs/dbraw/zinc/81/99/28/595819928.db2.gz UWWFKEXSICJUOD-UHFFFAOYSA-N 2 2 335.351 1.709 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)cc2[nH+]1 ZINC000850391567 595825609 /nfs/dbraw/zinc/82/56/09/595825609.db2.gz VBWPTRBGYCDDPH-ZFWWWQNUSA-N 2 2 343.431 1.570 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851771794 595916641 /nfs/dbraw/zinc/91/66/41/595916641.db2.gz PALADXQCYVTDSA-LSDHHAIUSA-N 2 2 327.469 1.506 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851771794 595916642 /nfs/dbraw/zinc/91/66/42/595916642.db2.gz PALADXQCYVTDSA-LSDHHAIUSA-N 2 2 327.469 1.506 20 0 EDADLP C[C@H]1C[NH+](CCN2CCN(C3=[NH+]CC(C)(C)S3)CC2)C[C@H](C)O1 ZINC000851845201 595945159 /nfs/dbraw/zinc/94/51/59/595945159.db2.gz HUUOTKCNWSNLBE-GJZGRUSLSA-N 2 2 340.537 1.595 20 0 EDADLP Cn1cc(-c2cc3c(nn2)CC[N@H+](CC[C@H]2CCC[NH+]2C)C3)cn1 ZINC000854128635 595983802 /nfs/dbraw/zinc/98/38/02/595983802.db2.gz NZYXVYOICCQDQE-MRXNPFEDSA-N 2 2 326.448 1.720 20 0 EDADLP Cn1cc(-c2cc3c(nn2)CC[N@@H+](CC[C@H]2CCC[NH+]2C)C3)cn1 ZINC000854128635 595983805 /nfs/dbraw/zinc/98/38/05/595983805.db2.gz NZYXVYOICCQDQE-MRXNPFEDSA-N 2 2 326.448 1.720 20 0 EDADLP Cn1cc(-c2cc3c(nn2)CC[NH+](CC[C@H]2CCC[N@@H+]2C)C3)cn1 ZINC000854128635 595983811 /nfs/dbraw/zinc/98/38/11/595983811.db2.gz NZYXVYOICCQDQE-MRXNPFEDSA-N 2 2 326.448 1.720 20 0 EDADLP Cn1cc(-c2cc3c(nn2)CC[NH+](CC[C@H]2CCC[N@H+]2C)C3)cn1 ZINC000854128635 595983815 /nfs/dbraw/zinc/98/38/15/595983815.db2.gz NZYXVYOICCQDQE-MRXNPFEDSA-N 2 2 326.448 1.720 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnnn3C)C2)ccn1 ZINC000856552504 596016162 /nfs/dbraw/zinc/01/61/62/596016162.db2.gz CWCZECYOEVNTSS-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnnn3C)C2)ccn1 ZINC000856552504 596016165 /nfs/dbraw/zinc/01/61/65/596016165.db2.gz CWCZECYOEVNTSS-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnnn3C)C2)ccn1 ZINC000856552504 596016169 /nfs/dbraw/zinc/01/61/69/596016169.db2.gz CWCZECYOEVNTSS-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)ccn1 ZINC000856552504 596016170 /nfs/dbraw/zinc/01/61/70/596016170.db2.gz CWCZECYOEVNTSS-QGZVFWFLSA-N 2 2 330.436 1.315 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856609042 596033477 /nfs/dbraw/zinc/03/34/77/596033477.db2.gz YXJIVPPCLDNNOT-JKSUJKDBSA-N 2 2 341.415 1.040 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000857075696 596152807 /nfs/dbraw/zinc/15/28/07/596152807.db2.gz GGTIPJXWPVWWMI-BQFCYCMXSA-N 2 2 329.444 1.937 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000857075696 596152809 /nfs/dbraw/zinc/15/28/09/596152809.db2.gz GGTIPJXWPVWWMI-BQFCYCMXSA-N 2 2 329.444 1.937 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1)c1ccco1 ZINC000864510979 596252258 /nfs/dbraw/zinc/25/22/58/596252258.db2.gz KJDMNVDEXHBZQR-STQMWFEESA-N 2 2 329.391 1.976 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)c1ccco1 ZINC000864510979 596252259 /nfs/dbraw/zinc/25/22/59/596252259.db2.gz KJDMNVDEXHBZQR-STQMWFEESA-N 2 2 329.391 1.976 20 0 EDADLP CC[C@H](C(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@H]2C1)[NH+](C)C ZINC000870537249 596275874 /nfs/dbraw/zinc/27/58/74/596275874.db2.gz KLMSBVQEECTJPM-HRCADAONSA-N 2 2 332.448 1.358 20 0 EDADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000866666792 596285266 /nfs/dbraw/zinc/28/52/66/596285266.db2.gz WZTCQUQDBIEIFD-OALUTQOASA-N 2 2 344.503 1.716 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000864625851 596288727 /nfs/dbraw/zinc/28/87/27/596288727.db2.gz YGFLRJGPGZHZJP-VMPITWQZSA-N 2 2 343.471 1.787 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H](O)c3ccccc3)c2)CC1 ZINC000870666612 596315350 /nfs/dbraw/zinc/31/53/50/596315350.db2.gz IKFSTGFMYFOGDC-QGZVFWFLSA-N 2 2 326.400 1.506 20 0 EDADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+]CC[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000862531679 596340435 /nfs/dbraw/zinc/34/04/35/596340435.db2.gz JFWZIHGGCDEEJJ-CQSZACIVSA-N 2 2 325.453 1.042 20 0 EDADLP CC(C)(C)OC(=O)N1CC2(CC([NH2+]CC[N@H+]3CC[C@@H](O)C3)C2)C1 ZINC000862531679 596340437 /nfs/dbraw/zinc/34/04/37/596340437.db2.gz JFWZIHGGCDEEJJ-CQSZACIVSA-N 2 2 325.453 1.042 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)c[nH+]2)C[C@@H](C)O1 ZINC000870866106 596382720 /nfs/dbraw/zinc/38/27/20/596382720.db2.gz NUUVKWZIFLASRK-MUIFIZLQSA-N 2 2 346.475 1.829 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)c3csc(C4CC[NH2+]CC4)n3)cc2C1 ZINC000871011571 596438064 /nfs/dbraw/zinc/43/80/64/596438064.db2.gz VPHBLWADSCUCSY-UHFFFAOYSA-N 2 2 346.460 1.504 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)c3csc(C4CC[NH2+]CC4)n3)cc2C1 ZINC000871011571 596438067 /nfs/dbraw/zinc/43/80/67/596438067.db2.gz VPHBLWADSCUCSY-UHFFFAOYSA-N 2 2 346.460 1.504 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)[C@H](C)CO1 ZINC000869245192 596460429 /nfs/dbraw/zinc/46/04/29/596460429.db2.gz YSJMACCWHOOZFR-MGPQQGTHSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)[C@H](C)CO1 ZINC000869245192 596460432 /nfs/dbraw/zinc/46/04/32/596460432.db2.gz YSJMACCWHOOZFR-MGPQQGTHSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)[C@H](C)CO1 ZINC000869245192 596460436 /nfs/dbraw/zinc/46/04/36/596460436.db2.gz YSJMACCWHOOZFR-MGPQQGTHSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)[C@H](C)CO1 ZINC000869245192 596460439 /nfs/dbraw/zinc/46/04/39/596460439.db2.gz YSJMACCWHOOZFR-MGPQQGTHSA-N 2 2 333.423 1.189 20 0 EDADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000862972102 596471019 /nfs/dbraw/zinc/47/10/19/596471019.db2.gz YFWZCKQUJJCGAZ-SKHCZCESSA-N 2 2 347.459 1.087 20 0 EDADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000862972102 596471022 /nfs/dbraw/zinc/47/10/22/596471022.db2.gz YFWZCKQUJJCGAZ-SKHCZCESSA-N 2 2 347.459 1.087 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000865138555 596488743 /nfs/dbraw/zinc/48/87/43/596488743.db2.gz GZBMIUGDAXTSKU-ONEGZZNKSA-N 2 2 347.459 1.132 20 0 EDADLP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)c1 ZINC000867756748 596534096 /nfs/dbraw/zinc/53/40/96/596534096.db2.gz ZDHJNEKDYUWAEP-INIZCTEOSA-N 2 2 332.404 1.042 20 0 EDADLP CC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)OCCO1 ZINC000865518974 596598394 /nfs/dbraw/zinc/59/83/94/596598394.db2.gz YWERHNJZBBZGOX-UHFFFAOYSA-N 2 2 336.432 1.250 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000867914650 596614679 /nfs/dbraw/zinc/61/46/79/596614679.db2.gz NZHDZMIDCNARIF-ZLHKHBAESA-N 2 2 343.471 1.513 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867914650 596614682 /nfs/dbraw/zinc/61/46/82/596614682.db2.gz NZHDZMIDCNARIF-ZLHKHBAESA-N 2 2 343.471 1.513 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865632317 596633223 /nfs/dbraw/zinc/63/32/23/596633223.db2.gz OFFOOWTUKMNGSW-GFCCVEGCSA-N 2 2 348.838 1.481 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865632317 596633227 /nfs/dbraw/zinc/63/32/27/596633227.db2.gz OFFOOWTUKMNGSW-GFCCVEGCSA-N 2 2 348.838 1.481 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000865660983 596642040 /nfs/dbraw/zinc/64/20/40/596642040.db2.gz VLXUCNUPQYIPJK-WMZOPIPTSA-N 2 2 334.460 1.789 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000865660983 596642042 /nfs/dbraw/zinc/64/20/42/596642042.db2.gz VLXUCNUPQYIPJK-WMZOPIPTSA-N 2 2 334.460 1.789 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C3([NH3+])CCCCC3)C2)cc1 ZINC000867998551 596648213 /nfs/dbraw/zinc/64/82/13/596648213.db2.gz YJYHWTAVUFKXHV-GOSISDBHSA-N 2 2 345.487 1.974 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C3([NH3+])CCCCC3)C2)cc1 ZINC000867998551 596648217 /nfs/dbraw/zinc/64/82/17/596648217.db2.gz YJYHWTAVUFKXHV-GOSISDBHSA-N 2 2 345.487 1.974 20 0 EDADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865699127 596653571 /nfs/dbraw/zinc/65/35/71/596653571.db2.gz UEUJNMGDWKRUHU-DBWMJRBXSA-N 2 2 337.508 1.892 20 0 EDADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865699127 596653573 /nfs/dbraw/zinc/65/35/73/596653573.db2.gz UEUJNMGDWKRUHU-DBWMJRBXSA-N 2 2 337.508 1.892 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC000865745019 596667341 /nfs/dbraw/zinc/66/73/41/596667341.db2.gz BTTKMGQMNZPFBD-GJZGRUSLSA-N 2 2 346.431 1.794 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000865751065 596670423 /nfs/dbraw/zinc/67/04/23/596670423.db2.gz VAGFJDLVEYPPKL-WAZRQNRBSA-N 2 2 335.492 1.476 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000865751065 596670426 /nfs/dbraw/zinc/67/04/26/596670426.db2.gz VAGFJDLVEYPPKL-WAZRQNRBSA-N 2 2 335.492 1.476 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866010184 596756957 /nfs/dbraw/zinc/75/69/57/596756957.db2.gz GZTHXMDEIPGWMX-HZPDHXFCSA-N 3 2 347.507 1.847 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[NH2+]2)c1 ZINC000870151001 596774978 /nfs/dbraw/zinc/77/49/78/596774978.db2.gz RHWXPEPCBSDSBC-CRAIPNDOSA-N 2 2 340.427 1.627 20 0 EDADLP CN(Cc1ccccc1F)C(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147362 596811256 /nfs/dbraw/zinc/81/12/56/596811256.db2.gz IGRHUBBUXLVFBI-STQMWFEESA-N 2 2 347.356 1.853 20 0 EDADLP CN(Cc1ccccc1F)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147362 596811257 /nfs/dbraw/zinc/81/12/57/596811257.db2.gz IGRHUBBUXLVFBI-STQMWFEESA-N 2 2 347.356 1.853 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872149373 596812748 /nfs/dbraw/zinc/81/27/48/596812748.db2.gz VLDQZKPIAFRDAY-YUELXQCFSA-N 2 2 343.393 1.803 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872149373 596812750 /nfs/dbraw/zinc/81/27/50/596812750.db2.gz VLDQZKPIAFRDAY-YUELXQCFSA-N 2 2 343.393 1.803 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149370 596812900 /nfs/dbraw/zinc/81/29/00/596812900.db2.gz VLDQZKPIAFRDAY-BPLDGKMQSA-N 2 2 343.393 1.803 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872149370 596812902 /nfs/dbraw/zinc/81/29/02/596812902.db2.gz VLDQZKPIAFRDAY-BPLDGKMQSA-N 2 2 343.393 1.803 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150360 596813520 /nfs/dbraw/zinc/81/35/20/596813520.db2.gz QHATYMJAEFCOMR-MPKXVKKWSA-N 2 2 347.356 1.899 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150360 596813522 /nfs/dbraw/zinc/81/35/22/596813522.db2.gz QHATYMJAEFCOMR-MPKXVKKWSA-N 2 2 347.356 1.899 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868396441 596819590 /nfs/dbraw/zinc/81/95/90/596819590.db2.gz LQLVWDITLMGJFZ-BBRMVZONSA-N 2 2 329.448 1.526 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000868396441 596819591 /nfs/dbraw/zinc/81/95/91/596819591.db2.gz LQLVWDITLMGJFZ-BBRMVZONSA-N 2 2 329.448 1.526 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000866208377 596827636 /nfs/dbraw/zinc/82/76/36/596827636.db2.gz IOCDGQIDXRSSBW-RHSMWYFYSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000866208377 596827638 /nfs/dbraw/zinc/82/76/38/596827638.db2.gz IOCDGQIDXRSSBW-RHSMWYFYSA-N 2 2 328.416 1.566 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3nc(NCCO)c4ccccc4[nH+]3)CC[C@H]21 ZINC000866208929 596827805 /nfs/dbraw/zinc/82/78/05/596827805.db2.gz XUJLVADDMQYWHC-CZUORRHYSA-N 2 2 327.432 1.564 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3nc(NCCO)c4ccccc4[nH+]3)CC[C@H]21 ZINC000866208929 596827807 /nfs/dbraw/zinc/82/78/07/596827807.db2.gz XUJLVADDMQYWHC-CZUORRHYSA-N 2 2 327.432 1.564 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000866411969 596879772 /nfs/dbraw/zinc/87/97/72/596879772.db2.gz ACJAXICAJRFCID-PBHICJAKSA-N 2 2 333.476 1.884 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000866411969 596879775 /nfs/dbraw/zinc/87/97/75/596879775.db2.gz ACJAXICAJRFCID-PBHICJAKSA-N 2 2 333.476 1.884 20 0 EDADLP COC1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866416038 596880889 /nfs/dbraw/zinc/88/08/89/596880889.db2.gz KZYOMRGIKFIUOP-ZDUSSCGKSA-N 2 2 333.423 1.191 20 0 EDADLP COC1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866416038 596880891 /nfs/dbraw/zinc/88/08/91/596880891.db2.gz KZYOMRGIKFIUOP-ZDUSSCGKSA-N 2 2 333.423 1.191 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2[nH+]ccn21 ZINC000875644508 596931319 /nfs/dbraw/zinc/93/13/19/596931319.db2.gz GFHLZBSBZMILMT-KLHDSHLOSA-N 3 2 348.495 1.270 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000875742183 596968940 /nfs/dbraw/zinc/96/89/40/596968940.db2.gz JLUUMOPNJDHLJH-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000875742183 596968944 /nfs/dbraw/zinc/96/89/44/596968944.db2.gz JLUUMOPNJDHLJH-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000874252885 596986975 /nfs/dbraw/zinc/98/69/75/596986975.db2.gz GPESQAVEXPOLDC-GJZGRUSLSA-N 2 2 342.399 1.171 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000874252885 596986977 /nfs/dbraw/zinc/98/69/77/596986977.db2.gz GPESQAVEXPOLDC-GJZGRUSLSA-N 2 2 342.399 1.171 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000888683961 597016203 /nfs/dbraw/zinc/01/62/03/597016203.db2.gz SKDZGVGBDZTMRM-NVXWUHKLSA-N 2 2 338.496 1.223 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000874708941 597154301 /nfs/dbraw/zinc/15/43/01/597154301.db2.gz TVDLPAIXNUCRJW-AWEZNQCLSA-N 2 2 336.436 1.111 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000874708941 597154302 /nfs/dbraw/zinc/15/43/02/597154302.db2.gz TVDLPAIXNUCRJW-AWEZNQCLSA-N 2 2 336.436 1.111 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874891075 597211179 /nfs/dbraw/zinc/21/11/79/597211179.db2.gz GXJDUJJVURIMRE-GOSISDBHSA-N 2 2 349.450 1.801 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C[N@@H+]1C1CC1 ZINC000873247067 597238883 /nfs/dbraw/zinc/23/88/83/597238883.db2.gz HSYXOQXBTZQLMT-UKRRQHHQSA-N 3 2 326.448 1.441 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C[N@H+]1C1CC1 ZINC000873247067 597238887 /nfs/dbraw/zinc/23/88/87/597238887.db2.gz HSYXOQXBTZQLMT-UKRRQHHQSA-N 3 2 326.448 1.441 20 0 EDADLP c1nnc([C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2ccccc2)[nH]1 ZINC000873290863 597249587 /nfs/dbraw/zinc/24/95/87/597249587.db2.gz BHTMLVPYZATQGW-HZPDHXFCSA-N 2 2 327.432 1.642 20 0 EDADLP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2cccnc2)n1 ZINC000873290656 597249607 /nfs/dbraw/zinc/24/96/07/597249607.db2.gz BEEYRGRTONWONP-HOTGVXAUSA-N 2 2 327.432 1.642 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H]1C(F)(F)F ZINC000873322535 597256535 /nfs/dbraw/zinc/25/65/35/597256535.db2.gz JXBILMPOJXXPDJ-MWLCHTKSSA-N 2 2 327.310 1.935 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000875072518 597270617 /nfs/dbraw/zinc/27/06/17/597270617.db2.gz WYVNPFLJPYCSSX-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000875090469 597277495 /nfs/dbraw/zinc/27/74/95/597277495.db2.gz NQBGTMAJZSEFIK-HNNXBMFYSA-N 2 2 349.479 1.015 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000875126987 597292605 /nfs/dbraw/zinc/29/26/05/597292605.db2.gz GKUSWAQFNSMZKI-IAGOWNOFSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000875126987 597292607 /nfs/dbraw/zinc/29/26/07/597292607.db2.gz GKUSWAQFNSMZKI-IAGOWNOFSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000875189606 597320593 /nfs/dbraw/zinc/32/05/93/597320593.db2.gz MZJHBBOQIRJQHP-GDBMZVCRSA-N 2 2 337.468 1.238 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000875189606 597320599 /nfs/dbraw/zinc/32/05/99/597320599.db2.gz MZJHBBOQIRJQHP-GDBMZVCRSA-N 2 2 337.468 1.238 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000875362051 597399809 /nfs/dbraw/zinc/39/98/09/597399809.db2.gz WCTQZXWAVDJQQG-LSDHHAIUSA-N 2 2 328.501 1.373 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000875362051 597399814 /nfs/dbraw/zinc/39/98/14/597399814.db2.gz WCTQZXWAVDJQQG-LSDHHAIUSA-N 2 2 328.501 1.373 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000877230347 597469901 /nfs/dbraw/zinc/46/99/01/597469901.db2.gz ZJJAVHOPDNOQJG-GOSISDBHSA-N 2 2 343.427 1.678 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000877230347 597469903 /nfs/dbraw/zinc/46/99/03/597469903.db2.gz ZJJAVHOPDNOQJG-GOSISDBHSA-N 2 2 343.427 1.678 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)c1 ZINC000877248228 597478453 /nfs/dbraw/zinc/47/84/53/597478453.db2.gz IASCJMRRMAOVCA-XDNAFOTISA-N 2 2 329.444 1.062 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)c1 ZINC000877248228 597478454 /nfs/dbraw/zinc/47/84/54/597478454.db2.gz IASCJMRRMAOVCA-XDNAFOTISA-N 2 2 329.444 1.062 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C3([NH3+])CCCC3)C2)cc1 ZINC000877249223 597479070 /nfs/dbraw/zinc/47/90/70/597479070.db2.gz TYADOINMOREPBP-QGZVFWFLSA-N 2 2 331.460 1.584 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C3([NH3+])CCCC3)C2)cc1 ZINC000877249223 597479071 /nfs/dbraw/zinc/47/90/71/597479071.db2.gz TYADOINMOREPBP-QGZVFWFLSA-N 2 2 331.460 1.584 20 0 EDADLP COC(=O)C1CC([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877723952 597551315 /nfs/dbraw/zinc/55/13/15/597551315.db2.gz RIVCMXHWCFOMLR-UHFFFAOYSA-N 2 2 348.443 1.439 20 0 EDADLP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000877724691 597551341 /nfs/dbraw/zinc/55/13/41/597551341.db2.gz SLDPJQIUNKSFIL-LJHODMEESA-N 2 2 329.444 1.977 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)CC1 ZINC000877747047 597552755 /nfs/dbraw/zinc/55/27/55/597552755.db2.gz UDRYBJMDEJQCOW-UHFFFAOYSA-N 3 2 340.475 1.479 20 0 EDADLP CCOC(=O)C1=C(C[N@H+](C)CCCn2cc[nH+]c2C)NC(=O)N[C@@H]1C ZINC000130743271 597618166 /nfs/dbraw/zinc/61/81/66/597618166.db2.gz KAANKTBSLSOOKR-GFCCVEGCSA-N 2 2 349.435 1.032 20 0 EDADLP CCOC(=O)C1=C(C[N@@H+](C)CCCn2cc[nH+]c2C)NC(=O)N[C@@H]1C ZINC000130743271 597618169 /nfs/dbraw/zinc/61/81/69/597618169.db2.gz KAANKTBSLSOOKR-GFCCVEGCSA-N 2 2 349.435 1.032 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCN1c1cc[nH+]cc1 ZINC000881632925 597665966 /nfs/dbraw/zinc/66/59/66/597665966.db2.gz GLRKSANIQOMNCF-GJZGRUSLSA-N 2 2 325.416 1.578 20 0 EDADLP Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000878824137 597724328 /nfs/dbraw/zinc/72/43/28/597724328.db2.gz PNKOLEBXOZCDFN-OAHLLOKOSA-N 2 2 345.491 1.807 20 0 EDADLP Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000878824137 597724330 /nfs/dbraw/zinc/72/43/30/597724330.db2.gz PNKOLEBXOZCDFN-OAHLLOKOSA-N 2 2 345.491 1.807 20 0 EDADLP Cc1nc(F)ccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372173 597726165 /nfs/dbraw/zinc/72/61/65/597726165.db2.gz OLHIBEZDBZWWCY-KRWDZBQOSA-N 2 2 336.455 1.415 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000878867387 597738873 /nfs/dbraw/zinc/73/88/73/597738873.db2.gz STLUDAOTHRILEE-UHFFFAOYSA-N 2 2 345.443 1.369 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000878867387 597738876 /nfs/dbraw/zinc/73/88/76/597738876.db2.gz STLUDAOTHRILEE-UHFFFAOYSA-N 2 2 345.443 1.369 20 0 EDADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCN1CCNC1=O)C2 ZINC000880022560 597813212 /nfs/dbraw/zinc/81/32/12/597813212.db2.gz STRYLBGTCLRBII-PKOBYXMFSA-N 2 2 328.460 1.466 20 0 EDADLP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC000880022560 597813214 /nfs/dbraw/zinc/81/32/14/597813214.db2.gz STRYLBGTCLRBII-PKOBYXMFSA-N 2 2 328.460 1.466 20 0 EDADLP C[C@]12C[NH+](CCN3CCNC3=O)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880022560 597813217 /nfs/dbraw/zinc/81/32/17/597813217.db2.gz STRYLBGTCLRBII-PKOBYXMFSA-N 2 2 328.460 1.466 20 0 EDADLP C[C@]12C[NH+](CCN3CCNC3=O)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880022560 597813219 /nfs/dbraw/zinc/81/32/19/597813219.db2.gz STRYLBGTCLRBII-PKOBYXMFSA-N 2 2 328.460 1.466 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCN1c1cc[nH+]cc1 ZINC000883587923 597816156 /nfs/dbraw/zinc/81/61/56/597816156.db2.gz WNYHSZNDEIJUCR-HUUCEWRRSA-N 2 2 340.431 1.513 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880131399 597849904 /nfs/dbraw/zinc/84/99/04/597849904.db2.gz KOKITEXZRKEZLR-KURKYZTESA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880131399 597849908 /nfs/dbraw/zinc/84/99/08/597849908.db2.gz KOKITEXZRKEZLR-KURKYZTESA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880131399 597849911 /nfs/dbraw/zinc/84/99/11/597849911.db2.gz KOKITEXZRKEZLR-KURKYZTESA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880131399 597849915 /nfs/dbraw/zinc/84/99/15/597849915.db2.gz KOKITEXZRKEZLR-KURKYZTESA-N 2 2 334.460 1.741 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132964 597851191 /nfs/dbraw/zinc/85/11/91/597851191.db2.gz RRWGXDYHAJXORP-IRXDYDNUSA-N 2 2 344.459 1.571 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132964 597851192 /nfs/dbraw/zinc/85/11/92/597851192.db2.gz RRWGXDYHAJXORP-IRXDYDNUSA-N 2 2 344.459 1.571 20 0 EDADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132964 597851193 /nfs/dbraw/zinc/85/11/93/597851193.db2.gz RRWGXDYHAJXORP-IRXDYDNUSA-N 2 2 344.459 1.571 20 0 EDADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132964 597851195 /nfs/dbraw/zinc/85/11/95/597851195.db2.gz RRWGXDYHAJXORP-IRXDYDNUSA-N 2 2 344.459 1.571 20 0 EDADLP OC[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1CO ZINC000879364575 597900084 /nfs/dbraw/zinc/90/00/84/597900084.db2.gz FNZFVHXEUMENJQ-AZUAARDMSA-N 2 2 347.503 1.264 20 0 EDADLP OC[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1CO ZINC000879364575 597900087 /nfs/dbraw/zinc/90/00/87/597900087.db2.gz FNZFVHXEUMENJQ-AZUAARDMSA-N 2 2 347.503 1.264 20 0 EDADLP COCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000884181058 598017251 /nfs/dbraw/zinc/01/72/51/598017251.db2.gz TZAOTPTZWAVRNO-INIZCTEOSA-N 2 2 335.448 1.012 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000884294261 598057787 /nfs/dbraw/zinc/05/77/87/598057787.db2.gz XBRSECLFQRZTCC-CQSZACIVSA-N 2 2 328.526 1.046 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000884294261 598057790 /nfs/dbraw/zinc/05/77/90/598057790.db2.gz XBRSECLFQRZTCC-CQSZACIVSA-N 2 2 328.526 1.046 20 0 EDADLP c1c[nH+]c(C2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)[nH]1 ZINC000738424679 599356497 /nfs/dbraw/zinc/35/64/97/599356497.db2.gz INIXECLIGZCWNH-UHFFFAOYSA-N 2 2 339.403 1.848 20 0 EDADLP COCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]ccc3OC)C2)CC1 ZINC001040745074 695198693 /nfs/dbraw/zinc/19/86/93/695198693.db2.gz HRXLSEWEAGPOTF-UHFFFAOYSA-N 2 2 347.459 1.594 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939856802 699995891 /nfs/dbraw/zinc/99/58/91/699995891.db2.gz QIBVCVDMILPWRJ-SWLSCSKDSA-N 2 2 334.370 1.798 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000939857468 699996780 /nfs/dbraw/zinc/99/67/80/699996780.db2.gz TXCARPCOTKGWKO-YJBOKZPZSA-N 2 2 341.459 1.586 20 0 EDADLP Cc1ccccc1OCC[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001031053173 695394975 /nfs/dbraw/zinc/39/49/75/695394975.db2.gz ZLKCWEUVSUDZKL-UHFFFAOYSA-N 2 2 345.487 1.906 20 0 EDADLP O=C(NC1C[NH+](CC[C@H]2CCOC2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001031161228 695627805 /nfs/dbraw/zinc/62/78/05/695627805.db2.gz KGWPHGMHCRYFPD-AWEZNQCLSA-N 2 2 341.415 1.108 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000915137705 695748849 /nfs/dbraw/zinc/74/88/49/695748849.db2.gz ZUIQFLZBLZZYKE-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000915137705 695748852 /nfs/dbraw/zinc/74/88/52/695748852.db2.gz ZUIQFLZBLZZYKE-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCNc1ccc(C)c[nH+]1 ZINC000915657654 695964325 /nfs/dbraw/zinc/96/43/25/695964325.db2.gz VGQLVOYKKFCONF-CQSZACIVSA-N 2 2 330.436 1.942 20 0 EDADLP O=C(NC1C[NH+](Cc2ccc3c(c2)CCC3)C1)C12CC[NH+](CC1)C2 ZINC001031263408 696072517 /nfs/dbraw/zinc/07/25/17/696072517.db2.gz NGLVAZDAABTVPN-UHFFFAOYSA-N 2 2 325.456 1.572 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ncn2)[C@@H]1C ZINC000993614620 696260246 /nfs/dbraw/zinc/26/02/46/696260246.db2.gz LWOXJBVLHVUFDJ-WBVHZDCISA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ncn2)[C@@H]1C ZINC000993614620 696260247 /nfs/dbraw/zinc/26/02/47/696260247.db2.gz LWOXJBVLHVUFDJ-WBVHZDCISA-N 2 2 342.447 1.459 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCOC1CCC1 ZINC000994219002 696587710 /nfs/dbraw/zinc/58/77/10/696587710.db2.gz AIKDIGZNNYPRPA-RHSMWYFYSA-N 2 2 334.464 1.501 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000916979211 696868433 /nfs/dbraw/zinc/86/84/33/696868433.db2.gz JMGJFIIWFXOTIR-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000916979211 696868437 /nfs/dbraw/zinc/86/84/37/696868437.db2.gz JMGJFIIWFXOTIR-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)n1 ZINC000994507502 696946184 /nfs/dbraw/zinc/94/61/84/696946184.db2.gz NCQJKQLOPKJPHE-IAGOWNOFSA-N 2 2 344.463 1.366 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)n1 ZINC000994507502 696946186 /nfs/dbraw/zinc/94/61/86/696946186.db2.gz NCQJKQLOPKJPHE-IAGOWNOFSA-N 2 2 344.463 1.366 20 0 EDADLP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)s1 ZINC000994510330 696954537 /nfs/dbraw/zinc/95/45/37/696954537.db2.gz URBUGQLBQHMLAB-WFASDCNBSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)s1 ZINC000994510330 696954539 /nfs/dbraw/zinc/95/45/39/696954539.db2.gz URBUGQLBQHMLAB-WFASDCNBSA-N 2 2 333.461 1.817 20 0 EDADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031382434 697000749 /nfs/dbraw/zinc/00/07/49/697000749.db2.gz UHHNOMDIEQIHKX-RDTXWAMCSA-N 2 2 327.472 1.988 20 0 EDADLP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031382434 697000752 /nfs/dbraw/zinc/00/07/52/697000752.db2.gz UHHNOMDIEQIHKX-RDTXWAMCSA-N 2 2 327.472 1.988 20 0 EDADLP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389123 697009506 /nfs/dbraw/zinc/00/95/06/697009506.db2.gz BWHYZOPZUCXKIL-CRAIPNDOSA-N 2 2 331.460 1.047 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)c1 ZINC001031434238 697097361 /nfs/dbraw/zinc/09/73/61/697097361.db2.gz ZJXWWYIJCZFADH-GOSISDBHSA-N 2 2 345.487 1.977 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H]3CC[N@H+]3C)CC2)oc1C ZINC000918061175 697127632 /nfs/dbraw/zinc/12/76/32/697127632.db2.gz NHERHNPNIPNTHS-INIZCTEOSA-N 2 2 349.479 1.507 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)NC[C@@H]3CC[N@@H+]3C)CC2)oc1C ZINC000918061175 697127635 /nfs/dbraw/zinc/12/76/35/697127635.db2.gz NHERHNPNIPNTHS-INIZCTEOSA-N 2 2 349.479 1.507 20 0 EDADLP CC[C@H](C[NH+]1CC(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1)OC ZINC001031468396 697150835 /nfs/dbraw/zinc/15/08/35/697150835.db2.gz UPBVEKKZOWUMSE-OAHLLOKOSA-N 2 2 337.464 1.960 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000918893384 697221149 /nfs/dbraw/zinc/22/11/49/697221149.db2.gz QTZFVDBPTQFJIY-HNNXBMFYSA-N 2 2 329.448 1.904 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000918893384 697221151 /nfs/dbraw/zinc/22/11/51/697221151.db2.gz QTZFVDBPTQFJIY-HNNXBMFYSA-N 2 2 329.448 1.904 20 0 EDADLP COc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665592 697445768 /nfs/dbraw/zinc/44/57/68/697445768.db2.gz BCAHINVVFMSTGJ-KRWDZBQOSA-N 2 2 346.475 1.511 20 0 EDADLP COc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665592 697445771 /nfs/dbraw/zinc/44/57/71/697445771.db2.gz BCAHINVVFMSTGJ-KRWDZBQOSA-N 2 2 346.475 1.511 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668206 697459869 /nfs/dbraw/zinc/45/98/69/697459869.db2.gz AEBVZGDHLLCCBN-GJZGRUSLSA-N 2 2 349.504 1.269 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668206 697459871 /nfs/dbraw/zinc/45/98/71/697459871.db2.gz AEBVZGDHLLCCBN-GJZGRUSLSA-N 2 2 349.504 1.269 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)ncn1 ZINC001031669304 697464426 /nfs/dbraw/zinc/46/44/26/697464426.db2.gz HDCOLSQOAALGSR-FUHWJXTLSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)ncn1 ZINC001031669304 697464427 /nfs/dbraw/zinc/46/44/27/697464427.db2.gz HDCOLSQOAALGSR-FUHWJXTLSA-N 2 2 343.475 1.207 20 0 EDADLP O=C(NCC1C[NH+](Cc2cc(F)cc(F)c2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675773 697488062 /nfs/dbraw/zinc/48/80/62/697488062.db2.gz RRMWDSJLVJNJEP-SFHVURJKSA-N 2 2 349.425 1.855 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921434950 697611189 /nfs/dbraw/zinc/61/11/89/697611189.db2.gz RNCIQICONSTIKP-RISCZKNCSA-N 2 2 337.493 1.487 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921434950 697611191 /nfs/dbraw/zinc/61/11/91/697611191.db2.gz RNCIQICONSTIKP-RISCZKNCSA-N 2 2 337.493 1.487 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2nccnc2C)C1 ZINC001031713765 697736095 /nfs/dbraw/zinc/73/60/95/697736095.db2.gz FFYHUMWBDVRKHH-QGZVFWFLSA-N 2 2 331.464 1.207 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2nccnc2C)C1 ZINC001031713765 697736096 /nfs/dbraw/zinc/73/60/96/697736096.db2.gz FFYHUMWBDVRKHH-QGZVFWFLSA-N 2 2 331.464 1.207 20 0 EDADLP C[C@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174410 697866443 /nfs/dbraw/zinc/86/64/43/697866443.db2.gz CQEDFHFVHDHRHC-FZMZJTMJSA-N 2 2 326.391 1.824 20 0 EDADLP C[C@H]1C[N@@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174410 697866448 /nfs/dbraw/zinc/86/64/48/697866448.db2.gz CQEDFHFVHDHRHC-FZMZJTMJSA-N 2 2 326.391 1.824 20 0 EDADLP CC[C@@H](C(=O)N1CCCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)[NH+](C)C ZINC000943409730 698217351 /nfs/dbraw/zinc/21/73/51/698217351.db2.gz VDVSIIUAUXHZPB-HOCLYGCPSA-N 2 2 349.479 1.098 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943514453 698428208 /nfs/dbraw/zinc/42/82/08/698428208.db2.gz CPMXMOCIXSXQOI-NVXWUHKLSA-N 2 2 344.459 1.658 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000943514453 698428214 /nfs/dbraw/zinc/42/82/14/698428214.db2.gz CPMXMOCIXSXQOI-NVXWUHKLSA-N 2 2 344.459 1.658 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cncn3C)C2)CC1 ZINC001032095338 698650742 /nfs/dbraw/zinc/65/07/42/698650742.db2.gz XEJPCCIPUHYAGK-UHFFFAOYSA-N 2 2 333.480 1.089 20 0 EDADLP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767230 698838966 /nfs/dbraw/zinc/83/89/66/698838966.db2.gz SPUFMTJLYOAKSC-TZMCWYRMSA-N 2 2 333.461 1.478 20 0 EDADLP C[C@@H]1C[N@@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767230 698838971 /nfs/dbraw/zinc/83/89/71/698838971.db2.gz SPUFMTJLYOAKSC-TZMCWYRMSA-N 2 2 333.461 1.478 20 0 EDADLP C[C@H]1C[N@H+](CCF)CC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000943772562 698879081 /nfs/dbraw/zinc/87/90/81/698879081.db2.gz SVTPBGUTTQQGPO-BBRMVZONSA-N 2 2 331.395 1.677 20 0 EDADLP C[C@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000943772562 698879087 /nfs/dbraw/zinc/87/90/87/698879087.db2.gz SVTPBGUTTQQGPO-BBRMVZONSA-N 2 2 331.395 1.677 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995157053 701567949 /nfs/dbraw/zinc/56/79/49/701567949.db2.gz BLXBZDRRPULMIB-JSGCOSHPSA-N 2 2 340.418 1.882 20 0 EDADLP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1)C1CCC1 ZINC001031779307 699172977 /nfs/dbraw/zinc/17/29/77/699172977.db2.gz ODUOVNIHTOQSGI-AEFFLSMTSA-N 2 2 346.475 1.309 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)o1 ZINC000939210036 699357143 /nfs/dbraw/zinc/35/71/43/699357143.db2.gz LEGKXRUHIPTGMO-FZMZJTMJSA-N 2 2 331.420 1.448 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000939211422 699359379 /nfs/dbraw/zinc/35/93/79/699359379.db2.gz RNSSXBQEENRLOK-PWSUYJOCSA-N 2 2 338.362 1.181 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939211450 699359619 /nfs/dbraw/zinc/35/96/19/699359619.db2.gz SAAZSCANHYKSKC-GUYCJALGSA-N 2 2 344.463 1.675 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)on1 ZINC001031817244 699518469 /nfs/dbraw/zinc/51/84/69/699518469.db2.gz VWFSDDAZWCDDJZ-UHFFFAOYSA-N 2 2 325.372 1.493 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)oc1C ZINC000939394452 699544649 /nfs/dbraw/zinc/54/46/49/699544649.db2.gz BWCFNHORTCPSAK-YOEHRIQHSA-N 2 2 348.491 1.960 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939402098 699551089 /nfs/dbraw/zinc/55/10/89/699551089.db2.gz XJYXNBPYKKDXPX-FZMZJTMJSA-N 2 2 331.420 1.448 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)c1 ZINC000939414277 699567307 /nfs/dbraw/zinc/56/73/07/699567307.db2.gz WSQMLYCOCDKRCY-BBRMVZONSA-N 2 2 328.416 1.598 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC000939533512 699671111 /nfs/dbraw/zinc/67/11/11/699671111.db2.gz AHQOCXUCESFORC-YOEHRIQHSA-N 2 2 330.476 1.979 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939534347 699675112 /nfs/dbraw/zinc/67/51/12/699675112.db2.gz JBHBLTIBPFIFLB-YVEFUNNKSA-N 2 2 348.397 1.878 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cs1 ZINC000939534601 699675538 /nfs/dbraw/zinc/67/55/38/699675538.db2.gz LWFZZXWKFHEMBW-ABAIWWIYSA-N 2 2 333.461 1.364 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)o1 ZINC000939535636 699676410 /nfs/dbraw/zinc/67/64/10/699676410.db2.gz RCIWLHCGHJZJAW-XHDPSFHLSA-N 2 2 331.420 1.204 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939535883 699676761 /nfs/dbraw/zinc/67/67/61/699676761.db2.gz SIEDZVBVHKXGEM-FZMZJTMJSA-N 2 2 326.391 1.444 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939535861 699676861 /nfs/dbraw/zinc/67/68/61/699676861.db2.gz SDZGYPYWRHNGNF-LRDDRELGSA-N 2 2 345.447 1.458 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939538977 699679679 /nfs/dbraw/zinc/67/96/79/699679679.db2.gz AAOKADXZSARTSC-WFASDCNBSA-N 2 2 345.422 1.858 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000939541089 699681943 /nfs/dbraw/zinc/68/19/43/699681943.db2.gz KZXMSFOOQDQQIX-HIFRSBDPSA-N 2 2 344.463 1.100 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000939541091 699681974 /nfs/dbraw/zinc/68/19/74/699681974.db2.gz KZXMSFOOQDQQIX-ZFWWWQNUSA-N 2 2 344.463 1.100 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C)n1 ZINC000939552438 699702437 /nfs/dbraw/zinc/70/24/37/699702437.db2.gz YGZTUCLLQGXKBJ-SMDDNHRTSA-N 2 2 344.419 1.089 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939643930 699784266 /nfs/dbraw/zinc/78/42/66/699784266.db2.gz YCGAAXNEKSYZBX-RHSMWYFYSA-N 2 2 327.432 1.384 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cnon3)C2)c[nH+]1 ZINC000994987453 699806672 /nfs/dbraw/zinc/80/66/72/699806672.db2.gz ITQGVHFREQROGL-KGLIPLIRSA-N 2 2 346.435 1.384 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)s1 ZINC000939757043 699923850 /nfs/dbraw/zinc/92/38/50/699923850.db2.gz WXKQEBMRFWDBED-FZMZJTMJSA-N 2 2 333.461 1.593 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCN(C2C[NH+](CCCC3CCC3)C2)CC1 ZINC000941684835 701630034 /nfs/dbraw/zinc/63/00/34/701630034.db2.gz AXKDKAXBGHCQQD-UHFFFAOYSA-N 2 2 345.491 1.292 20 0 EDADLP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000940183611 700340491 /nfs/dbraw/zinc/34/04/91/700340491.db2.gz UAIFSLQMHLPTTL-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP CC(C)CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031875805 700387509 /nfs/dbraw/zinc/38/75/09/700387509.db2.gz BXGKACXEPSTGFR-SFHVURJKSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031875805 700387511 /nfs/dbraw/zinc/38/75/11/700387511.db2.gz BXGKACXEPSTGFR-SFHVURJKSA-N 2 2 337.508 1.581 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940398015 700595212 /nfs/dbraw/zinc/59/52/12/700595212.db2.gz WAWHEHVMPYFWOT-UHFFFAOYSA-N 2 2 345.451 1.296 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC000940426355 700620130 /nfs/dbraw/zinc/62/01/30/700620130.db2.gz REKJHNZOJDKNHK-HZPDHXFCSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940441454 700642954 /nfs/dbraw/zinc/64/29/54/700642954.db2.gz IXWBKTZTFDHBFK-UHFFFAOYSA-N 2 2 334.449 1.283 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]cn3C)CC2)o1 ZINC000940445156 700647223 /nfs/dbraw/zinc/64/72/23/700647223.db2.gz PDPNJRKIQQOHOO-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC000940482509 700670502 /nfs/dbraw/zinc/67/05/02/700670502.db2.gz ALZPRMJPUOLZRD-UHFFFAOYSA-N 2 2 345.451 1.296 20 0 EDADLP CC1([NH2+]C[C@H]2C[C@@]23CCOC3)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482726 700670609 /nfs/dbraw/zinc/67/06/09/700670609.db2.gz NPAMLWAKFMLUBO-CRAIPNDOSA-N 2 2 332.448 1.280 20 0 EDADLP COc1cc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)on1 ZINC000940483970 700671439 /nfs/dbraw/zinc/67/14/39/700671439.db2.gz UEMOJJIHROWSAE-UHFFFAOYSA-N 2 2 333.392 1.051 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968912 701675189 /nfs/dbraw/zinc/67/51/89/701675189.db2.gz PLTMVQOOAZYRPR-UKRRQHHQSA-N 2 2 332.448 1.304 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1C ZINC000995107972 700960076 /nfs/dbraw/zinc/96/00/76/700960076.db2.gz STLTYFFAHGPCGB-KBPBESRZSA-N 2 2 330.436 1.069 20 0 EDADLP CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C)[NH+]1CCCC1 ZINC000940942621 701009380 /nfs/dbraw/zinc/00/93/80/701009380.db2.gz GNSJDMQBHNLTID-OAHLLOKOSA-N 2 2 349.479 1.661 20 0 EDADLP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C)[NH+]1CCCC1 ZINC000940942621 701009382 /nfs/dbraw/zinc/00/93/82/701009382.db2.gz GNSJDMQBHNLTID-OAHLLOKOSA-N 2 2 349.479 1.661 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001031917378 701028681 /nfs/dbraw/zinc/02/86/81/701028681.db2.gz YKRVXVPJCYURCC-INIZCTEOSA-N 2 2 348.466 1.891 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001031917378 701028683 /nfs/dbraw/zinc/02/86/83/701028683.db2.gz YKRVXVPJCYURCC-INIZCTEOSA-N 2 2 348.466 1.891 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1 ZINC000995115596 701057234 /nfs/dbraw/zinc/05/72/34/701057234.db2.gz KWWARPOYMVFJOH-GXTWGEPZSA-N 2 2 331.395 1.561 20 0 EDADLP COc1ccnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC000995117802 701060442 /nfs/dbraw/zinc/06/04/42/701060442.db2.gz QOLKRGLAONCDBB-UONOGXRCSA-N 2 2 343.431 1.431 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995117217 701073566 /nfs/dbraw/zinc/07/35/66/701073566.db2.gz OVNVHLYCKMVOLJ-UONOGXRCSA-N 2 2 330.436 1.243 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033918 701076561 /nfs/dbraw/zinc/07/65/61/701076561.db2.gz XVOOBRCCKRULHT-BBRMVZONSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033918 701076564 /nfs/dbraw/zinc/07/65/64/701076564.db2.gz XVOOBRCCKRULHT-BBRMVZONSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033918 701076565 /nfs/dbraw/zinc/07/65/65/701076565.db2.gz XVOOBRCCKRULHT-BBRMVZONSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033918 701076568 /nfs/dbraw/zinc/07/65/68/701076568.db2.gz XVOOBRCCKRULHT-BBRMVZONSA-N 2 2 349.479 1.579 20 0 EDADLP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)cn1 ZINC000941060206 701106406 /nfs/dbraw/zinc/10/64/06/701106406.db2.gz COGHDOZHSSYTDZ-INIZCTEOSA-N 2 2 344.463 1.145 20 0 EDADLP Cn1cc(CC[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)cn1 ZINC000941060206 701106408 /nfs/dbraw/zinc/10/64/08/701106408.db2.gz COGHDOZHSSYTDZ-INIZCTEOSA-N 2 2 344.463 1.145 20 0 EDADLP CCc1nocc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995120280 701139748 /nfs/dbraw/zinc/13/97/48/701139748.db2.gz ZYPOBBDPKIBRRU-OCCSQVGLSA-N 2 2 331.420 1.577 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945808054 701199301 /nfs/dbraw/zinc/19/93/01/701199301.db2.gz NJJIQGSHQVNMOK-BBRMVZONSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945808054 701199303 /nfs/dbraw/zinc/19/93/03/701199303.db2.gz NJJIQGSHQVNMOK-BBRMVZONSA-N 2 2 345.447 1.769 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941186154 701390761 /nfs/dbraw/zinc/39/07/61/701390761.db2.gz DOPZPTJPUZUUJE-DOTOQJQBSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941186154 701390762 /nfs/dbraw/zinc/39/07/62/701390762.db2.gz DOPZPTJPUZUUJE-DOTOQJQBSA-N 2 2 348.491 1.904 20 0 EDADLP CC1(C)C[N@H+](Cc2ccns2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941214720 701401069 /nfs/dbraw/zinc/40/10/69/701401069.db2.gz AEGZDSCSXXDWBF-OAHLLOKOSA-N 2 2 336.505 1.956 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccns2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941214720 701401070 /nfs/dbraw/zinc/40/10/70/701401070.db2.gz AEGZDSCSXXDWBF-OAHLLOKOSA-N 2 2 336.505 1.956 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248336 701424850 /nfs/dbraw/zinc/42/48/50/701424850.db2.gz WUPWVYQYPMHUTN-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248336 701424851 /nfs/dbraw/zinc/42/48/51/701424851.db2.gz WUPWVYQYPMHUTN-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000941391748 701501627 /nfs/dbraw/zinc/50/16/27/701501627.db2.gz GKUBOOQZKJKEKD-HNNXBMFYSA-N 2 2 333.480 1.217 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031974576 701892630 /nfs/dbraw/zinc/89/26/30/701892630.db2.gz CFVJXQMGUOOSFP-HNNXBMFYSA-N 2 2 343.431 1.299 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)o1 ZINC000995827492 702100771 /nfs/dbraw/zinc/10/07/71/702100771.db2.gz ZLGJVBLLIZBION-CABCVRRESA-N 2 2 347.463 1.046 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC000995183724 702113814 /nfs/dbraw/zinc/11/38/14/702113814.db2.gz KXUPMZCEMTYYPY-KGLIPLIRSA-N 2 2 330.436 1.069 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)n1 ZINC000995895684 702199511 /nfs/dbraw/zinc/19/95/11/702199511.db2.gz MDEYFUNBUFBACI-HIFRSBDPSA-N 2 2 335.452 1.045 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995920102 702240675 /nfs/dbraw/zinc/24/06/75/702240675.db2.gz SHVGPCBUMMPGJT-CQSZACIVSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cs1 ZINC000996353912 702731899 /nfs/dbraw/zinc/73/18/99/702731899.db2.gz FENZXZGKRXRBQS-OAHLLOKOSA-N 2 2 347.488 1.786 20 0 EDADLP CC1(C)CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1[NH2+]CCF ZINC000996374466 702740999 /nfs/dbraw/zinc/74/09/99/702740999.db2.gz KBCDIGJLFYQYFL-HNNXBMFYSA-N 2 2 341.471 1.428 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000996461836 702789681 /nfs/dbraw/zinc/78/96/81/702789681.db2.gz PYFGQPVXURUYER-CQSZACIVSA-N 2 2 331.395 1.513 20 0 EDADLP CCn1cc(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)cn1 ZINC000996454782 702799440 /nfs/dbraw/zinc/79/94/40/702799440.db2.gz CAYMPANHSQVHRU-HNNXBMFYSA-N 2 2 344.463 1.238 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942304483 702812294 /nfs/dbraw/zinc/81/22/94/702812294.db2.gz PZSAWBJJDLSIII-BLLLJJGKSA-N 2 2 340.387 1.358 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942304483 702812297 /nfs/dbraw/zinc/81/22/97/702812297.db2.gz PZSAWBJJDLSIII-BLLLJJGKSA-N 2 2 340.387 1.358 20 0 EDADLP Cc1ccnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995242199 702913200 /nfs/dbraw/zinc/91/32/00/702913200.db2.gz GJUBUZMKNFKONK-HUUCEWRRSA-N 2 2 328.420 1.056 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995256204 703003994 /nfs/dbraw/zinc/00/39/94/703003994.db2.gz YRZKXHGJOLWPTB-CZUORRHYSA-N 2 2 331.395 1.492 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C[C@@H]1C ZINC000942518191 703012620 /nfs/dbraw/zinc/01/26/20/703012620.db2.gz NXTVJCLFGUNRQL-SUMWQHHRSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C[C@@H]1C ZINC000942518191 703012622 /nfs/dbraw/zinc/01/26/22/703012622.db2.gz NXTVJCLFGUNRQL-SUMWQHHRSA-N 2 2 342.447 1.317 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996725999 703020790 /nfs/dbraw/zinc/02/07/90/703020790.db2.gz BFFAZLBEOONOOO-UHFFFAOYSA-N 2 2 342.428 1.809 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996741258 703036264 /nfs/dbraw/zinc/03/62/64/703036264.db2.gz ZBFJVOVHWLEWMF-GJZGRUSLSA-N 2 2 332.448 1.063 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996754357 703043305 /nfs/dbraw/zinc/04/33/05/703043305.db2.gz DEWMIWAWZSKLMY-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996755585 703044615 /nfs/dbraw/zinc/04/46/15/703044615.db2.gz HELWVAGPTPTIMS-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942597104 703112114 /nfs/dbraw/zinc/11/21/14/703112114.db2.gz ISIIFIWABYJZKC-UKRRQHHQSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942597104 703112115 /nfs/dbraw/zinc/11/21/15/703112115.db2.gz ISIIFIWABYJZKC-UKRRQHHQSA-N 2 2 349.479 1.300 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000997039275 703290523 /nfs/dbraw/zinc/29/05/23/703290523.db2.gz BPQBQWYPTCJEQD-GFCCVEGCSA-N 2 2 326.391 1.968 20 0 EDADLP CCn1ncnc1C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000997044332 703293009 /nfs/dbraw/zinc/29/30/09/703293009.db2.gz CSYLXKWNIWHEQL-CQSZACIVSA-N 2 2 345.451 1.226 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000997044392 703293432 /nfs/dbraw/zinc/29/34/32/703293432.db2.gz DVNZTBXHYYWEFK-AWEZNQCLSA-N 2 2 344.463 1.657 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032400892 703416707 /nfs/dbraw/zinc/41/67/07/703416707.db2.gz YAYXCHXBBSVKSF-ZOBUZTSGSA-N 2 2 348.516 1.844 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032400892 703416709 /nfs/dbraw/zinc/41/67/09/703416709.db2.gz YAYXCHXBBSVKSF-ZOBUZTSGSA-N 2 2 348.516 1.844 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1 ZINC001032400892 703416711 /nfs/dbraw/zinc/41/67/11/703416711.db2.gz YAYXCHXBBSVKSF-ZOBUZTSGSA-N 2 2 348.516 1.844 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1 ZINC001032400892 703416712 /nfs/dbraw/zinc/41/67/12/703416712.db2.gz YAYXCHXBBSVKSF-ZOBUZTSGSA-N 2 2 348.516 1.844 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997182313 703467336 /nfs/dbraw/zinc/46/73/36/703467336.db2.gz IRPQGNLDXAEKBF-UHFFFAOYSA-N 2 2 331.420 1.765 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)O1 ZINC000997183452 703468881 /nfs/dbraw/zinc/46/88/81/703468881.db2.gz PPPQTURMMNRBBK-HIFRSBDPSA-N 2 2 334.464 1.835 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032416526 703487994 /nfs/dbraw/zinc/48/79/94/703487994.db2.gz HXWIJJHAZTZQON-BPUTZDHNSA-N 2 2 332.448 1.082 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032416526 703487996 /nfs/dbraw/zinc/48/79/96/703487996.db2.gz HXWIJJHAZTZQON-BPUTZDHNSA-N 2 2 332.448 1.082 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC001032437681 703606339 /nfs/dbraw/zinc/60/63/39/703606339.db2.gz MPIDTVJVGOUBOD-BZSNNMDCSA-N 2 2 346.475 1.833 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC001032437681 703606341 /nfs/dbraw/zinc/60/63/41/703606341.db2.gz MPIDTVJVGOUBOD-BZSNNMDCSA-N 2 2 346.475 1.833 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)o1 ZINC001032443781 703620524 /nfs/dbraw/zinc/62/05/24/703620524.db2.gz CJFZTQZDJRXYOL-GJZGRUSLSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)o1 ZINC001032443781 703620525 /nfs/dbraw/zinc/62/05/25/703620525.db2.gz CJFZTQZDJRXYOL-GJZGRUSLSA-N 2 2 346.475 1.815 20 0 EDADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060841179 703702763 /nfs/dbraw/zinc/70/27/63/703702763.db2.gz QIUKTVROVJWPRQ-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060841179 703702764 /nfs/dbraw/zinc/70/27/64/703702764.db2.gz QIUKTVROVJWPRQ-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001004202701 703935319 /nfs/dbraw/zinc/93/53/19/703935319.db2.gz HELMSFKLYVRUQP-GASCZTMLSA-N 2 2 333.480 1.374 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001004202701 703935322 /nfs/dbraw/zinc/93/53/22/703935322.db2.gz HELMSFKLYVRUQP-GASCZTMLSA-N 2 2 333.480 1.374 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC[NH+](CCCO)CC1 ZINC000997645526 703954194 /nfs/dbraw/zinc/95/41/94/703954194.db2.gz IGYNLSIAHJAUPB-HOCLYGCPSA-N 2 2 334.464 1.045 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995552896 703961964 /nfs/dbraw/zinc/96/19/64/703961964.db2.gz RXYVYYLJSIQMJC-KGLIPLIRSA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995552896 703961967 /nfs/dbraw/zinc/96/19/67/703961967.db2.gz RXYVYYLJSIQMJC-KGLIPLIRSA-N 2 2 349.479 1.614 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(C)c1 ZINC001032522860 703971372 /nfs/dbraw/zinc/97/13/72/703971372.db2.gz SQKGGXDDCOYUKS-IRXDYDNUSA-N 2 2 325.416 1.380 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(C)c1 ZINC001032522860 703971377 /nfs/dbraw/zinc/97/13/77/703971377.db2.gz SQKGGXDDCOYUKS-IRXDYDNUSA-N 2 2 325.416 1.380 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC001033080163 704145580 /nfs/dbraw/zinc/14/55/80/704145580.db2.gz DJYFDMILAGQQMX-MSOLQXFVSA-N 2 2 345.491 1.103 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC001033080163 704145583 /nfs/dbraw/zinc/14/55/83/704145583.db2.gz DJYFDMILAGQQMX-MSOLQXFVSA-N 2 2 345.491 1.103 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033084242 704153522 /nfs/dbraw/zinc/15/35/22/704153522.db2.gz HCBDPJHGGBWORX-BRWVUGGUSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033084242 704153524 /nfs/dbraw/zinc/15/35/24/704153524.db2.gz HCBDPJHGGBWORX-BRWVUGGUSA-N 2 2 346.475 1.069 20 0 EDADLP CCO[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C[NH+](C)C ZINC000922757635 704317526 /nfs/dbraw/zinc/31/75/26/704317526.db2.gz VOGQEAJCNVQEHA-OAHLLOKOSA-N 2 2 346.431 1.862 20 0 EDADLP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001032540551 704600363 /nfs/dbraw/zinc/60/03/63/704600363.db2.gz HGIFOUBUVRZWRR-FHWLQOOXSA-N 2 2 349.519 1.819 20 0 EDADLP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001032540551 704600365 /nfs/dbraw/zinc/60/03/65/704600365.db2.gz HGIFOUBUVRZWRR-FHWLQOOXSA-N 2 2 349.519 1.819 20 0 EDADLP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001032540551 704600366 /nfs/dbraw/zinc/60/03/66/704600366.db2.gz HGIFOUBUVRZWRR-FHWLQOOXSA-N 2 2 349.519 1.819 20 0 EDADLP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001032540551 704600369 /nfs/dbraw/zinc/60/03/69/704600369.db2.gz HGIFOUBUVRZWRR-FHWLQOOXSA-N 2 2 349.519 1.819 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)o1 ZINC000997737804 704635268 /nfs/dbraw/zinc/63/52/68/704635268.db2.gz MYNFRYAMXKKTDT-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC1 ZINC001032585557 705068275 /nfs/dbraw/zinc/06/82/75/705068275.db2.gz MUXFUKCIJHJRHX-GBESFXJTSA-N 2 2 347.503 1.715 20 0 EDADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001032585557 705068286 /nfs/dbraw/zinc/06/82/86/705068286.db2.gz MUXFUKCIJHJRHX-GBESFXJTSA-N 2 2 347.503 1.715 20 0 EDADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032585557 705068293 /nfs/dbraw/zinc/06/82/93/705068293.db2.gz MUXFUKCIJHJRHX-GBESFXJTSA-N 2 2 347.503 1.715 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032587171 705105483 /nfs/dbraw/zinc/10/54/83/705105483.db2.gz OAVUEAQRQHFTHR-STECZYCISA-N 2 2 346.475 1.807 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001032587171 705105485 /nfs/dbraw/zinc/10/54/85/705105485.db2.gz OAVUEAQRQHFTHR-STECZYCISA-N 2 2 346.475 1.807 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032587171 705105487 /nfs/dbraw/zinc/10/54/87/705105487.db2.gz OAVUEAQRQHFTHR-STECZYCISA-N 2 2 346.475 1.807 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032587171 705105488 /nfs/dbraw/zinc/10/54/88/705105488.db2.gz OAVUEAQRQHFTHR-STECZYCISA-N 2 2 346.475 1.807 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998017652 705196476 /nfs/dbraw/zinc/19/64/76/705196476.db2.gz RCNLYFOILLFRKR-UHFFFAOYSA-N 2 2 347.419 1.366 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000998122610 705375399 /nfs/dbraw/zinc/37/53/99/705375399.db2.gz BLBICQIKQYGTIX-RDJZCZTQSA-N 2 2 334.464 1.699 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611241 705582022 /nfs/dbraw/zinc/58/20/22/705582022.db2.gz FMQFQBIGXWHYCC-RLFYNMQTSA-N 2 2 348.491 1.917 20 0 EDADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611241 705582024 /nfs/dbraw/zinc/58/20/24/705582024.db2.gz FMQFQBIGXWHYCC-RLFYNMQTSA-N 2 2 348.491 1.917 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998243074 705586951 /nfs/dbraw/zinc/58/69/51/705586951.db2.gz BNLRIPMTMRDOBG-UHFFFAOYSA-N 2 2 328.420 1.079 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+][C@H](C)c2ncccn2)CC1 ZINC000998245334 705588591 /nfs/dbraw/zinc/58/85/91/705588591.db2.gz SPNPKMMKPOADOF-CQSZACIVSA-N 2 2 342.447 1.640 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000998246280 705593680 /nfs/dbraw/zinc/59/36/80/705593680.db2.gz YQRWUTWRNPTGTD-LBPRGKRZSA-N 2 2 346.435 1.541 20 0 EDADLP CC(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000998310618 705716598 /nfs/dbraw/zinc/71/65/98/705716598.db2.gz GZKIVLDZKLCDJX-NWDGAFQWSA-N 2 2 332.370 1.977 20 0 EDADLP Cc1cccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001032628271 705741516 /nfs/dbraw/zinc/74/15/16/705741516.db2.gz VUJWRQDKVKSGEC-XIRDDKMYSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cccnc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001032628271 705741519 /nfs/dbraw/zinc/74/15/19/705741519.db2.gz VUJWRQDKVKSGEC-XIRDDKMYSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032628271 705741521 /nfs/dbraw/zinc/74/15/21/705741521.db2.gz VUJWRQDKVKSGEC-XIRDDKMYSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032628271 705741523 /nfs/dbraw/zinc/74/15/23/705741523.db2.gz VUJWRQDKVKSGEC-XIRDDKMYSA-N 2 2 328.460 1.517 20 0 EDADLP CCc1[nH]nc(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000921654789 705842244 /nfs/dbraw/zinc/84/22/44/705842244.db2.gz YDMWCHQYUJPYCU-CQSZACIVSA-N 2 2 341.887 1.658 20 0 EDADLP CCc1[nH]nc(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000921654789 705842248 /nfs/dbraw/zinc/84/22/48/705842248.db2.gz YDMWCHQYUJPYCU-CQSZACIVSA-N 2 2 341.887 1.658 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]Cc2nccs2)C1 ZINC000999007882 706427794 /nfs/dbraw/zinc/42/77/94/706427794.db2.gz TWWNBQAPPRXTPT-DNOWBOINSA-N 2 2 345.472 1.681 20 0 EDADLP CCc1nocc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999045402 706486664 /nfs/dbraw/zinc/48/66/64/706486664.db2.gz OQJGIBBXEOHNCT-CQSZACIVSA-N 2 2 331.420 1.674 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999318358 706826390 /nfs/dbraw/zinc/82/63/90/706826390.db2.gz RSNIIJVXANCNPF-KRWDZBQOSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999318358 706826392 /nfs/dbraw/zinc/82/63/92/706826392.db2.gz RSNIIJVXANCNPF-KRWDZBQOSA-N 2 2 327.432 1.827 20 0 EDADLP Cn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999373508 706868117 /nfs/dbraw/zinc/86/81/17/706868117.db2.gz QMBGGIFJGYWWTD-LSDHHAIUSA-N 2 2 342.447 1.275 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)o1 ZINC000999362464 706876042 /nfs/dbraw/zinc/87/60/42/706876042.db2.gz AVXRVHJGORDTTB-ZDUSSCGKSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC000999362464 706876046 /nfs/dbraw/zinc/87/60/46/706876046.db2.gz AVXRVHJGORDTTB-ZDUSSCGKSA-N 2 2 335.452 1.197 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)[nH]1 ZINC000999372557 706886785 /nfs/dbraw/zinc/88/67/85/706886785.db2.gz CFYSNGPLGGTJCV-OCCSQVGLSA-N 2 2 334.468 1.239 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)[nH]1 ZINC000999372557 706886788 /nfs/dbraw/zinc/88/67/88/706886788.db2.gz CFYSNGPLGGTJCV-OCCSQVGLSA-N 2 2 334.468 1.239 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)c[nH+]1 ZINC000999465294 706972969 /nfs/dbraw/zinc/97/29/69/706972969.db2.gz GURYLLNDVVGKGG-INIZCTEOSA-N 2 2 344.463 1.404 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)C(N)=O ZINC000999503034 707000529 /nfs/dbraw/zinc/00/05/29/707000529.db2.gz LURQUJLZBHRTDG-CHWSQXEVSA-N 2 2 329.404 1.021 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC000999509902 707007718 /nfs/dbraw/zinc/00/77/18/707007718.db2.gz LEAQFTUQTVLRNR-UONOGXRCSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC000999509902 707007720 /nfs/dbraw/zinc/00/77/20/707007720.db2.gz LEAQFTUQTVLRNR-UONOGXRCSA-N 2 2 335.452 1.197 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1)[NH+](C)C ZINC000999488567 707024645 /nfs/dbraw/zinc/02/46/45/707024645.db2.gz GBHONZRCTWNEKB-UONOGXRCSA-N 2 2 335.452 1.368 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999564433 707035246 /nfs/dbraw/zinc/03/52/46/707035246.db2.gz YGTITUCBPHDXGW-CYBMUJFWSA-N 2 2 347.419 1.427 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC001060881183 707040387 /nfs/dbraw/zinc/04/03/87/707040387.db2.gz VSMIDONLEFYFEB-HNNXBMFYSA-N 2 2 328.420 1.559 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](CCn3cccn3)C2)c[nH+]1 ZINC001033181051 707337806 /nfs/dbraw/zinc/33/78/06/707337806.db2.gz FSCXMJURVDROKS-INIZCTEOSA-N 2 2 344.463 1.356 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](CCn3cccn3)C2)c[nH+]1 ZINC001033181051 707337808 /nfs/dbraw/zinc/33/78/08/707337808.db2.gz FSCXMJURVDROKS-INIZCTEOSA-N 2 2 344.463 1.356 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000999839118 707411238 /nfs/dbraw/zinc/41/12/38/707411238.db2.gz YOZAXMOSHPLIDS-TZMCWYRMSA-N 2 2 348.476 1.775 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001033197596 707417263 /nfs/dbraw/zinc/41/72/63/707417263.db2.gz IQNHXUAOYMWMAB-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001033197596 707417266 /nfs/dbraw/zinc/41/72/66/707417266.db2.gz IQNHXUAOYMWMAB-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001033197596 707417268 /nfs/dbraw/zinc/41/72/68/707417268.db2.gz IQNHXUAOYMWMAB-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001033197596 707417270 /nfs/dbraw/zinc/41/72/70/707417270.db2.gz IQNHXUAOYMWMAB-SJORKVTESA-N 2 2 331.464 1.302 20 0 EDADLP COCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299185 707443427 /nfs/dbraw/zinc/44/34/27/707443427.db2.gz AIDPYTDPAZXYLZ-KRWDZBQOSA-N 2 2 328.416 1.665 20 0 EDADLP C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001004866340 707505481 /nfs/dbraw/zinc/50/54/81/707505481.db2.gz GXUURMKXNQWONI-CJNGLKHVSA-N 2 2 345.451 1.030 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001004867497 707512500 /nfs/dbraw/zinc/51/25/00/707512500.db2.gz KRULNNJPUZGIEK-WMLDXEAASA-N 2 2 344.463 1.635 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001004867497 707512502 /nfs/dbraw/zinc/51/25/02/707512502.db2.gz KRULNNJPUZGIEK-WMLDXEAASA-N 2 2 344.463 1.635 20 0 EDADLP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999915827 707558141 /nfs/dbraw/zinc/55/81/41/707558141.db2.gz LDZFTHJVRKFLHI-UHFFFAOYSA-N 2 2 333.461 1.736 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2coc(C3CC3)n2)C1 ZINC000999915923 707558247 /nfs/dbraw/zinc/55/82/47/707558247.db2.gz LYXQCLPKPFMCKP-UHFFFAOYSA-N 2 2 329.404 1.528 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000999917624 707559781 /nfs/dbraw/zinc/55/97/81/707559781.db2.gz VKJSOMXVFUWMKS-JCYILVPMSA-N 2 2 346.406 1.335 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033211259 707691270 /nfs/dbraw/zinc/69/12/70/707691270.db2.gz INQAOGXOPBAONB-IRXDYDNUSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033211259 707691273 /nfs/dbraw/zinc/69/12/73/707691273.db2.gz INQAOGXOPBAONB-IRXDYDNUSA-N 2 2 346.475 1.405 20 0 EDADLP CCc1nnc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033395658 707732895 /nfs/dbraw/zinc/73/28/95/707732895.db2.gz JIQZQZVSCDQJJV-HIFRSBDPSA-N 2 2 349.479 1.568 20 0 EDADLP CCc1nnc([C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033395658 707732901 /nfs/dbraw/zinc/73/29/01/707732901.db2.gz JIQZQZVSCDQJJV-HIFRSBDPSA-N 2 2 349.479 1.568 20 0 EDADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733609 707741296 /nfs/dbraw/zinc/74/12/96/707741296.db2.gz CPRKEHZFLQZBLN-IRXDYDNUSA-N 2 2 326.444 1.271 20 0 EDADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733609 707741300 /nfs/dbraw/zinc/74/13/00/707741300.db2.gz CPRKEHZFLQZBLN-IRXDYDNUSA-N 2 2 326.444 1.271 20 0 EDADLP Cc1oncc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004966282 707760937 /nfs/dbraw/zinc/76/09/37/707760937.db2.gz PIDSGLXDPAPKJR-DOMZBBRYSA-N 2 2 331.420 1.808 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001004986478 707836848 /nfs/dbraw/zinc/83/68/48/707836848.db2.gz AYGYOCOUUNPYSP-YOEHRIQHSA-N 2 2 344.463 1.554 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033227920 707839617 /nfs/dbraw/zinc/83/96/17/707839617.db2.gz HJWBXKGXSVKQHY-KRWDZBQOSA-N 2 2 346.450 1.882 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033227920 707839620 /nfs/dbraw/zinc/83/96/20/707839620.db2.gz HJWBXKGXSVKQHY-KRWDZBQOSA-N 2 2 346.450 1.882 20 0 EDADLP Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004991223 707852429 /nfs/dbraw/zinc/85/24/29/707852429.db2.gz JXNAOPKXIIOVGD-HIFRSBDPSA-N 2 2 335.452 1.333 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1nncs1 ZINC001004993596 707876540 /nfs/dbraw/zinc/87/65/40/707876540.db2.gz REVMEYKHAVYTHW-TZMCWYRMSA-N 2 2 348.476 1.602 20 0 EDADLP CCn1ccnc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005010412 707928440 /nfs/dbraw/zinc/92/84/40/707928440.db2.gz PYXWOIJPEDDKBL-HZPDHXFCSA-N 2 2 344.463 1.659 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)co1 ZINC001033474015 707962792 /nfs/dbraw/zinc/96/27/92/707962792.db2.gz DSCRNPJPFHMGEK-KRWDZBQOSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)co1 ZINC001033474015 707962796 /nfs/dbraw/zinc/96/27/96/707962796.db2.gz DSCRNPJPFHMGEK-KRWDZBQOSA-N 2 2 334.464 1.748 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2=CC[N@H+](Cc3nccs3)CC2)CC1 ZINC001001113811 708101624 /nfs/dbraw/zinc/10/16/24/708101624.db2.gz UWDBTLPSBLZNCR-UHFFFAOYSA-N 2 2 334.489 1.733 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2=CC[N@@H+](Cc3nccs3)CC2)CC1 ZINC001001113811 708101626 /nfs/dbraw/zinc/10/16/26/708101626.db2.gz UWDBTLPSBLZNCR-UHFFFAOYSA-N 2 2 334.489 1.733 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033588828 708282962 /nfs/dbraw/zinc/28/29/62/708282962.db2.gz LFPWGJGPBJBSPM-HUUCEWRRSA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001033588828 708282964 /nfs/dbraw/zinc/28/29/64/708282964.db2.gz LFPWGJGPBJBSPM-HUUCEWRRSA-N 2 2 334.464 1.789 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)oc1C ZINC001033593296 708293105 /nfs/dbraw/zinc/29/31/05/708293105.db2.gz KMCHXBDSQZQCPK-HNNXBMFYSA-N 2 2 332.448 1.420 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)oc1C ZINC001033593296 708293109 /nfs/dbraw/zinc/29/31/09/708293109.db2.gz KMCHXBDSQZQCPK-HNNXBMFYSA-N 2 2 332.448 1.420 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033657916 708429362 /nfs/dbraw/zinc/42/93/62/708429362.db2.gz OJECBOJZIWVKSN-HNNXBMFYSA-N 2 2 336.867 1.864 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033657916 708429366 /nfs/dbraw/zinc/42/93/66/708429366.db2.gz OJECBOJZIWVKSN-HNNXBMFYSA-N 2 2 336.867 1.864 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001033665762 708448702 /nfs/dbraw/zinc/44/87/02/708448702.db2.gz QULAPRQIWBBTBY-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001033665762 708448704 /nfs/dbraw/zinc/44/87/04/708448704.db2.gz QULAPRQIWBBTBY-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001033665762 708448707 /nfs/dbraw/zinc/44/87/07/708448707.db2.gz QULAPRQIWBBTBY-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccncc2Cl)C1 ZINC001033665762 708448709 /nfs/dbraw/zinc/44/87/09/708448709.db2.gz QULAPRQIWBBTBY-LSDHHAIUSA-N 2 2 336.867 1.719 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033686792 708501644 /nfs/dbraw/zinc/50/16/44/708501644.db2.gz SVHCFHKJQDDKKV-WBVHZDCISA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001033686792 708501646 /nfs/dbraw/zinc/50/16/46/708501646.db2.gz SVHCFHKJQDDKKV-WBVHZDCISA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001033686792 708501648 /nfs/dbraw/zinc/50/16/48/708501648.db2.gz SVHCFHKJQDDKKV-WBVHZDCISA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001033686792 708501650 /nfs/dbraw/zinc/50/16/50/708501650.db2.gz SVHCFHKJQDDKKV-WBVHZDCISA-N 2 2 348.495 1.205 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001033778191 708706648 /nfs/dbraw/zinc/70/66/48/708706648.db2.gz YGXWEBNNAAVWFD-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001033778191 708706650 /nfs/dbraw/zinc/70/66/50/708706650.db2.gz YGXWEBNNAAVWFD-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cncc(OC)n2)C1 ZINC001033778191 708706651 /nfs/dbraw/zinc/70/66/51/708706651.db2.gz YGXWEBNNAAVWFD-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cncc(OC)n2)C1 ZINC001033778191 708706653 /nfs/dbraw/zinc/70/66/53/708706653.db2.gz YGXWEBNNAAVWFD-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001033889456 708970988 /nfs/dbraw/zinc/97/09/88/708970988.db2.gz YVJFVADQWRZHDJ-UKRRQHHQSA-N 2 2 343.431 1.005 20 0 EDADLP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001033889456 708970990 /nfs/dbraw/zinc/97/09/90/708970990.db2.gz YVJFVADQWRZHDJ-UKRRQHHQSA-N 2 2 343.431 1.005 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001002476101 709011786 /nfs/dbraw/zinc/01/17/86/709011786.db2.gz QGIZTCNWDXYIBA-QGZVFWFLSA-N 2 2 331.464 1.004 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001002476101 709011789 /nfs/dbraw/zinc/01/17/89/709011789.db2.gz QGIZTCNWDXYIBA-QGZVFWFLSA-N 2 2 331.464 1.004 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002537416 709082572 /nfs/dbraw/zinc/08/25/72/709082572.db2.gz XACVKOWECHRZHM-RDTXWAMCSA-N 2 2 349.450 1.798 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001033941235 709148021 /nfs/dbraw/zinc/14/80/21/709148021.db2.gz NULXOBGHGUWKKK-WBVHZDCISA-N 2 2 345.491 1.802 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001033941235 709148024 /nfs/dbraw/zinc/14/80/24/709148024.db2.gz NULXOBGHGUWKKK-WBVHZDCISA-N 2 2 345.491 1.802 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001034039561 709272285 /nfs/dbraw/zinc/27/22/85/709272285.db2.gz KGYOQBFXITYMIE-DOTOQJQBSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001034039561 709272287 /nfs/dbraw/zinc/27/22/87/709272287.db2.gz KGYOQBFXITYMIE-DOTOQJQBSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001034039561 709272288 /nfs/dbraw/zinc/27/22/88/709272288.db2.gz KGYOQBFXITYMIE-DOTOQJQBSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001034039561 709272290 /nfs/dbraw/zinc/27/22/90/709272290.db2.gz KGYOQBFXITYMIE-DOTOQJQBSA-N 2 2 333.480 1.278 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001034039784 709273191 /nfs/dbraw/zinc/27/31/91/709273191.db2.gz LVQNHCITBWCELO-CRAIPNDOSA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001034039784 709273193 /nfs/dbraw/zinc/27/31/93/709273193.db2.gz LVQNHCITBWCELO-CRAIPNDOSA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001034039784 709273196 /nfs/dbraw/zinc/27/31/96/709273196.db2.gz LVQNHCITBWCELO-CRAIPNDOSA-N 2 2 345.491 1.204 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001034039784 709273199 /nfs/dbraw/zinc/27/31/99/709273199.db2.gz LVQNHCITBWCELO-CRAIPNDOSA-N 2 2 345.491 1.204 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002792496 709400255 /nfs/dbraw/zinc/40/02/55/709400255.db2.gz PKVIBMGNYXCEKU-MRXNPFEDSA-N 2 2 331.464 1.430 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002792496 709400258 /nfs/dbraw/zinc/40/02/58/709400258.db2.gz PKVIBMGNYXCEKU-MRXNPFEDSA-N 2 2 331.464 1.430 20 0 EDADLP Cc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1 ZINC001034148877 709420352 /nfs/dbraw/zinc/42/03/52/709420352.db2.gz PSUMJKNKMNLNLX-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1 ZINC001034148877 709420354 /nfs/dbraw/zinc/42/03/54/709420354.db2.gz PSUMJKNKMNLNLX-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001034148877 709420356 /nfs/dbraw/zinc/42/03/56/709420356.db2.gz PSUMJKNKMNLNLX-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1 ZINC001034148877 709420358 /nfs/dbraw/zinc/42/03/58/709420358.db2.gz PSUMJKNKMNLNLX-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP COCC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208233 709557464 /nfs/dbraw/zinc/55/74/64/709557464.db2.gz XBEWPPGPMHUEHF-INIZCTEOSA-N 2 2 330.432 1.873 20 0 EDADLP COCC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208233 709557468 /nfs/dbraw/zinc/55/74/68/709557468.db2.gz XBEWPPGPMHUEHF-INIZCTEOSA-N 2 2 330.432 1.873 20 0 EDADLP CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034271198 709677706 /nfs/dbraw/zinc/67/77/06/709677706.db2.gz MIZAPNJEJKBKPH-NVXWUHKLSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034271198 709677707 /nfs/dbraw/zinc/67/77/07/709677707.db2.gz MIZAPNJEJKBKPH-NVXWUHKLSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034271198 709677709 /nfs/dbraw/zinc/67/77/09/709677709.db2.gz MIZAPNJEJKBKPH-NVXWUHKLSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034271198 709677710 /nfs/dbraw/zinc/67/77/10/709677710.db2.gz MIZAPNJEJKBKPH-NVXWUHKLSA-N 2 2 348.495 1.253 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC001034271149 709677750 /nfs/dbraw/zinc/67/77/50/709677750.db2.gz LVGGGHVXSWTAPC-ZWKOTPCHSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001034271149 709677751 /nfs/dbraw/zinc/67/77/51/709677751.db2.gz LVGGGHVXSWTAPC-ZWKOTPCHSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001034271149 709677752 /nfs/dbraw/zinc/67/77/52/709677752.db2.gz LVGGGHVXSWTAPC-ZWKOTPCHSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001034271149 709677754 /nfs/dbraw/zinc/67/77/54/709677754.db2.gz LVGGGHVXSWTAPC-ZWKOTPCHSA-N 2 2 345.491 1.740 20 0 EDADLP CN(C)C(=O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292932 709719666 /nfs/dbraw/zinc/71/96/66/709719666.db2.gz UGZZERAZCDBFNJ-OAHLLOKOSA-N 2 2 343.431 1.007 20 0 EDADLP CN(C)C(=O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292932 709719667 /nfs/dbraw/zinc/71/96/67/709719667.db2.gz UGZZERAZCDBFNJ-OAHLLOKOSA-N 2 2 343.431 1.007 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC001061217972 709757410 /nfs/dbraw/zinc/75/74/10/709757410.db2.gz NWJZFMDXSUFPPZ-INIZCTEOSA-N 2 2 331.464 1.554 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328605 709780689 /nfs/dbraw/zinc/78/06/89/709780689.db2.gz YNEWHEBEYMTXFM-NVXWUHKLSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328605 709780691 /nfs/dbraw/zinc/78/06/91/709780691.db2.gz YNEWHEBEYMTXFM-NVXWUHKLSA-N 2 2 342.443 1.837 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034399296 709941903 /nfs/dbraw/zinc/94/19/03/709941903.db2.gz SCFVPCKOQWJDRV-GDBMZVCRSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001034399296 709941906 /nfs/dbraw/zinc/94/19/06/709941906.db2.gz SCFVPCKOQWJDRV-GDBMZVCRSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034399296 709941907 /nfs/dbraw/zinc/94/19/07/709941907.db2.gz SCFVPCKOQWJDRV-GDBMZVCRSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001034399296 709941908 /nfs/dbraw/zinc/94/19/08/709941908.db2.gz SCFVPCKOQWJDRV-GDBMZVCRSA-N 2 2 334.464 1.796 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001034462887 710032013 /nfs/dbraw/zinc/03/20/13/710032013.db2.gz PNCYMTILGDVBOB-KRWDZBQOSA-N 2 2 347.507 1.623 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001034462887 710032018 /nfs/dbraw/zinc/03/20/18/710032018.db2.gz PNCYMTILGDVBOB-KRWDZBQOSA-N 2 2 347.507 1.623 20 0 EDADLP COc1cncc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003160474 710069562 /nfs/dbraw/zinc/06/95/62/710069562.db2.gz QFSHAPWFFZZGGR-MRXNPFEDSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003160474 710069567 /nfs/dbraw/zinc/06/95/67/710069567.db2.gz QFSHAPWFFZZGGR-MRXNPFEDSA-N 2 2 347.463 1.050 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491866 710112988 /nfs/dbraw/zinc/11/29/88/710112988.db2.gz ZISHXJZFOIBRCP-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491866 710112991 /nfs/dbraw/zinc/11/29/91/710112991.db2.gz ZISHXJZFOIBRCP-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccnc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001034491866 710112995 /nfs/dbraw/zinc/11/29/95/710112995.db2.gz ZISHXJZFOIBRCP-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccnc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034491866 710112999 /nfs/dbraw/zinc/11/29/99/710112999.db2.gz ZISHXJZFOIBRCP-IAGOWNOFSA-N 2 2 347.507 1.716 20 0 EDADLP Cc1nocc1C[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001003219234 710136494 /nfs/dbraw/zinc/13/64/94/710136494.db2.gz IHXFWFHLIJQPSC-UHFFFAOYSA-N 2 2 347.419 1.427 20 0 EDADLP Cc1noc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034489278 710139129 /nfs/dbraw/zinc/13/91/29/710139129.db2.gz BBBKREWNPHTVGT-DZGCQCFKSA-N 2 2 347.463 1.506 20 0 EDADLP Cc1noc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034489278 710139130 /nfs/dbraw/zinc/13/91/30/710139130.db2.gz BBBKREWNPHTVGT-DZGCQCFKSA-N 2 2 347.463 1.506 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc[nH+]1 ZINC001061257142 710321448 /nfs/dbraw/zinc/32/14/48/710321448.db2.gz OQRKSPCGEIPBPN-BHYGNILZSA-N 2 2 345.491 1.943 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc[nH+]1 ZINC001061257142 710321450 /nfs/dbraw/zinc/32/14/50/710321450.db2.gz OQRKSPCGEIPBPN-BHYGNILZSA-N 2 2 345.491 1.943 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H]([NH2+][C@@H](C)C(N)=O)CC3)ccn12 ZINC001034645238 710321675 /nfs/dbraw/zinc/32/16/75/710321675.db2.gz TWCBPFNGYVKXMY-QEJZJMRPSA-N 2 2 343.431 1.147 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)cs1 ZINC001003548390 710414314 /nfs/dbraw/zinc/41/43/14/710414314.db2.gz QULADXIUBUBRIE-UHFFFAOYSA-N 2 2 336.505 1.874 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001003607803 710439857 /nfs/dbraw/zinc/43/98/57/710439857.db2.gz YQDPHFPKWRENPR-UKRRQHHQSA-N 2 2 332.448 1.447 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003624861 710454061 /nfs/dbraw/zinc/45/40/61/710454061.db2.gz VOWLBTAAJMTGCX-HNNXBMFYSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003624861 710454063 /nfs/dbraw/zinc/45/40/63/710454063.db2.gz VOWLBTAAJMTGCX-HNNXBMFYSA-N 2 2 333.480 1.468 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC001003703413 710502434 /nfs/dbraw/zinc/50/24/34/710502434.db2.gz UHOWJUFCNRCIRL-KRWDZBQOSA-N 2 2 346.406 1.406 20 0 EDADLP Cn1cc(C[NH2+]CCc2c[nH+]cn2C)c(I)n1 ZINC000922273325 710563310 /nfs/dbraw/zinc/56/33/10/710563310.db2.gz FHFPMAOLEDYFGT-UHFFFAOYSA-N 2 2 345.188 1.091 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC001034674801 710625126 /nfs/dbraw/zinc/62/51/26/710625126.db2.gz SENHAKQNEOJTHD-QCEMKRCNSA-N 2 2 349.479 1.940 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC001034674801 710625131 /nfs/dbraw/zinc/62/51/31/710625131.db2.gz SENHAKQNEOJTHD-QCEMKRCNSA-N 2 2 349.479 1.940 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003846160 710691053 /nfs/dbraw/zinc/69/10/53/710691053.db2.gz NWVFKYZPRYNRHG-UHFFFAOYSA-N 2 2 328.416 1.225 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)no1 ZINC001034794935 711112417 /nfs/dbraw/zinc/11/24/17/711112417.db2.gz QJZCLVKZEAVGFA-KCPJHIHWSA-N 2 2 346.435 1.661 20 0 EDADLP COc1cc(C[NH+]2CCC(N(C)C(=O)Cn3c[nH+]cc3C)CC2)on1 ZINC001005720101 711127223 /nfs/dbraw/zinc/12/72/23/711127223.db2.gz ZVCDKMIOHIRBAQ-UHFFFAOYSA-N 2 2 347.419 1.311 20 0 EDADLP Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)n1 ZINC001034935994 711364418 /nfs/dbraw/zinc/36/44/18/711364418.db2.gz GGAVMZZPVRZDNN-CABCVRRESA-N 2 2 335.452 1.331 20 0 EDADLP Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001034935994 711364421 /nfs/dbraw/zinc/36/44/21/711364421.db2.gz GGAVMZZPVRZDNN-CABCVRRESA-N 2 2 335.452 1.331 20 0 EDADLP CCc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)o1 ZINC001034919716 711376701 /nfs/dbraw/zinc/37/67/01/711376701.db2.gz BZVZPIKMZZGKLV-CQSZACIVSA-N 2 2 345.447 1.982 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001034920986 711379877 /nfs/dbraw/zinc/37/98/77/711379877.db2.gz STFCUOQZBKXJAJ-CQSZACIVSA-N 2 2 328.420 1.222 20 0 EDADLP Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)C23CCC[NH+](CCC2)C3)n1 ZINC001034969430 711448503 /nfs/dbraw/zinc/44/85/03/711448503.db2.gz ATKFNRMJCSWUDO-OAHLLOKOSA-N 2 2 347.463 1.335 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC001004146621 711557734 /nfs/dbraw/zinc/55/77/34/711557734.db2.gz YVPGZOPCMYMRPN-DGCLKSJQSA-N 2 2 337.493 1.440 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001004146621 711557736 /nfs/dbraw/zinc/55/77/36/711557736.db2.gz YVPGZOPCMYMRPN-DGCLKSJQSA-N 2 2 337.493 1.440 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004149445 711563507 /nfs/dbraw/zinc/56/35/07/711563507.db2.gz HCEREDMAACXJMU-ZIAGYGMSSA-N 2 2 349.479 1.786 20 0 EDADLP CC(C)c1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004149445 711563509 /nfs/dbraw/zinc/56/35/09/711563509.db2.gz HCEREDMAACXJMU-ZIAGYGMSSA-N 2 2 349.479 1.786 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000922514467 711644056 /nfs/dbraw/zinc/64/40/56/711644056.db2.gz ILUFHYFAEPCYBD-OAHLLOKOSA-N 2 2 335.452 1.205 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033125218 711875510 /nfs/dbraw/zinc/87/55/10/711875510.db2.gz BAVOEPUXOFMDCA-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033125218 711875512 /nfs/dbraw/zinc/87/55/12/711875512.db2.gz BAVOEPUXOFMDCA-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033125218 711875514 /nfs/dbraw/zinc/87/55/14/711875514.db2.gz BAVOEPUXOFMDCA-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033125218 711875517 /nfs/dbraw/zinc/87/55/17/711875517.db2.gz BAVOEPUXOFMDCA-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004576030 712003021 /nfs/dbraw/zinc/00/30/21/712003021.db2.gz CMKMCKPWEXBORF-WMLDXEAASA-N 2 2 334.464 1.284 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004576030 712003022 /nfs/dbraw/zinc/00/30/22/712003022.db2.gz CMKMCKPWEXBORF-WMLDXEAASA-N 2 2 334.464 1.284 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004576030 712003023 /nfs/dbraw/zinc/00/30/23/712003023.db2.gz CMKMCKPWEXBORF-WMLDXEAASA-N 2 2 334.464 1.284 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004576030 712003024 /nfs/dbraw/zinc/00/30/24/712003024.db2.gz CMKMCKPWEXBORF-WMLDXEAASA-N 2 2 334.464 1.284 20 0 EDADLP CCc1nc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001061543041 712309388 /nfs/dbraw/zinc/30/93/88/712309388.db2.gz UCPWJXHSQRTDJC-LSDHHAIUSA-N 2 2 331.464 1.384 20 0 EDADLP CCc1nc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001061543041 712309390 /nfs/dbraw/zinc/30/93/90/712309390.db2.gz UCPWJXHSQRTDJC-LSDHHAIUSA-N 2 2 331.464 1.384 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(c3nc(C)no3)CC2)CC1 ZINC000053641237 214191523 /nfs/dbraw/zinc/19/15/23/214191523.db2.gz ICPAJFBBSRPMEB-ZDUSSCGKSA-N 2 2 335.452 1.110 20 0 EDADLP CC[NH+]1CCC(CNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000558502564 306238749 /nfs/dbraw/zinc/23/87/49/306238749.db2.gz WDBWBUBGRZYAMO-UHFFFAOYSA-N 2 2 346.475 1.376 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000558515191 306238939 /nfs/dbraw/zinc/23/89/39/306238939.db2.gz QDNKGZROKCOTBC-UHFFFAOYSA-N 2 2 330.432 1.610 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H]([NH+]3CCOCC3)C[C@@H]1C)C2 ZINC000329704945 282179278 /nfs/dbraw/zinc/17/92/78/282179278.db2.gz JCDSGPBFEOGTDB-QRTARXTBSA-N 2 2 332.448 1.076 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000359306356 282221160 /nfs/dbraw/zinc/22/11/60/282221160.db2.gz ZRKFPTOSWMCBGS-WBVHZDCISA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000359306356 282221161 /nfs/dbraw/zinc/22/11/61/282221161.db2.gz ZRKFPTOSWMCBGS-WBVHZDCISA-N 2 2 325.497 1.676 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000417657032 282242447 /nfs/dbraw/zinc/24/24/47/282242447.db2.gz HFRMZVXOSSCALQ-IUODEOHRSA-N 2 2 340.418 1.866 20 0 EDADLP CCC(CC)[C@H](C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000358701175 282252444 /nfs/dbraw/zinc/25/24/44/282252444.db2.gz YNLNNTSJGMKLFB-YQQAZPJKSA-N 2 2 325.497 1.674 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)[NH+]1CCOCC1 ZINC000345288113 282256359 /nfs/dbraw/zinc/25/63/59/282256359.db2.gz JDEQDZVDLGKZAV-USXIJHARSA-N 2 2 325.497 1.722 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)[NH+]1CCOCC1 ZINC000345288113 282256360 /nfs/dbraw/zinc/25/63/60/282256360.db2.gz JDEQDZVDLGKZAV-USXIJHARSA-N 2 2 325.497 1.722 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354851338 282308168 /nfs/dbraw/zinc/30/81/68/282308168.db2.gz FTLMAPBDNSVVQX-CVEARBPZSA-N 3 2 346.454 1.583 20 0 EDADLP COCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101545206 219134109 /nfs/dbraw/zinc/13/41/09/219134109.db2.gz DXKLGDCWPOZYLR-UHFFFAOYSA-N 2 2 337.489 1.752 20 0 EDADLP COCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101545206 219134111 /nfs/dbraw/zinc/13/41/11/219134111.db2.gz DXKLGDCWPOZYLR-UHFFFAOYSA-N 2 2 337.489 1.752 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000158617219 530064668 /nfs/dbraw/zinc/06/46/68/530064668.db2.gz PFEXTKFRPYTKBV-YOEHRIQHSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000158617219 530064669 /nfs/dbraw/zinc/06/46/69/530064669.db2.gz PFEXTKFRPYTKBV-YOEHRIQHSA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000158617219 530064670 /nfs/dbraw/zinc/06/46/70/530064670.db2.gz PFEXTKFRPYTKBV-YOEHRIQHSA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC000158617219 530064671 /nfs/dbraw/zinc/06/46/71/530064671.db2.gz PFEXTKFRPYTKBV-YOEHRIQHSA-N 2 2 337.414 1.997 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329130242 539414254 /nfs/dbraw/zinc/41/42/54/539414254.db2.gz WUERZGYPEVITNY-INIZCTEOSA-N 2 2 325.416 1.968 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000046313945 213795361 /nfs/dbraw/zinc/79/53/61/213795361.db2.gz JZFBNKDMTJZLRI-NVXWUHKLSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435622175 305143696 /nfs/dbraw/zinc/14/36/96/305143696.db2.gz QLFYDEBPVHLMNO-CQSZACIVSA-N 2 2 326.462 1.543 20 0 EDADLP C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435622175 305143697 /nfs/dbraw/zinc/14/36/97/305143697.db2.gz QLFYDEBPVHLMNO-CQSZACIVSA-N 2 2 326.462 1.543 20 0 EDADLP C[N@H+](CCN1CC[NH+](CC(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC000066534317 215051391 /nfs/dbraw/zinc/05/13/91/215051391.db2.gz NQEFSIJPAIFHLP-UHFFFAOYSA-N 2 2 346.519 1.651 20 0 EDADLP C[N@@H+](CCN1CC[NH+](CC(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC000066534317 215051395 /nfs/dbraw/zinc/05/13/95/215051395.db2.gz NQEFSIJPAIFHLP-UHFFFAOYSA-N 2 2 346.519 1.651 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000102821325 219232982 /nfs/dbraw/zinc/23/29/82/219232982.db2.gz GPDNDDFECBEFTH-UHFFFAOYSA-N 2 2 343.471 1.875 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc3c(cc2Cl)OCO3)[C@@H](C[NH3+])C1 ZINC000560963698 306281320 /nfs/dbraw/zinc/28/13/20/306281320.db2.gz JANSFYXRMQDRBG-VIFPVBQESA-N 2 2 326.784 1.175 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc3c(cc2Cl)OCO3)[C@@H](C[NH3+])C1 ZINC000560963698 306281321 /nfs/dbraw/zinc/28/13/21/306281321.db2.gz JANSFYXRMQDRBG-VIFPVBQESA-N 2 2 326.784 1.175 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000103150378 219263396 /nfs/dbraw/zinc/26/33/96/219263396.db2.gz VTZRMWNKNUSHBL-UHFFFAOYSA-N 2 2 344.459 1.385 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000561615366 306289548 /nfs/dbraw/zinc/28/95/48/306289548.db2.gz MHRRSEBIECWUQJ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000561615366 306289549 /nfs/dbraw/zinc/28/95/49/306289549.db2.gz MHRRSEBIECWUQJ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000561615366 306289550 /nfs/dbraw/zinc/28/95/50/306289550.db2.gz MHRRSEBIECWUQJ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000561615366 306289551 /nfs/dbraw/zinc/28/95/51/306289551.db2.gz MHRRSEBIECWUQJ-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCSC(C)(C)C2)C1 ZINC000083415862 535109850 /nfs/dbraw/zinc/10/98/50/535109850.db2.gz HWEHHCPBOBCPNX-HNNXBMFYSA-N 2 2 343.537 1.287 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCSC(C)(C)C2)C1 ZINC000083415862 535109854 /nfs/dbraw/zinc/10/98/54/535109854.db2.gz HWEHHCPBOBCPNX-HNNXBMFYSA-N 2 2 343.537 1.287 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000562653514 306304924 /nfs/dbraw/zinc/30/49/24/306304924.db2.gz XDCXUXDOEMPTIS-OAHLLOKOSA-N 2 2 341.459 1.709 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000562653514 306304925 /nfs/dbraw/zinc/30/49/25/306304925.db2.gz XDCXUXDOEMPTIS-OAHLLOKOSA-N 2 2 341.459 1.709 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353521347 539934562 /nfs/dbraw/zinc/93/45/62/539934562.db2.gz RFOVPBMDFIQMDK-RCCFBDPRSA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353521347 539934566 /nfs/dbraw/zinc/93/45/66/539934566.db2.gz RFOVPBMDFIQMDK-RCCFBDPRSA-N 3 2 336.524 1.392 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000562839651 306311131 /nfs/dbraw/zinc/31/11/31/306311131.db2.gz ZTLBLGGJPPZYIZ-PJIJBLCYSA-N 2 2 344.459 1.728 20 0 EDADLP COCCOC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000562996813 306315085 /nfs/dbraw/zinc/31/50/85/306315085.db2.gz OCTVWSWVBOCXHV-YJBOKZPZSA-N 2 2 337.464 1.221 20 0 EDADLP O=C(CC[NH2+]C[C@@H]1CCC[N@H+]1CCCO)Nc1cc(F)cc(F)c1 ZINC000563137170 306320004 /nfs/dbraw/zinc/32/00/04/306320004.db2.gz AKQVFNHAROXOGI-INIZCTEOSA-N 2 2 341.402 1.730 20 0 EDADLP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)Nc1cc(F)cc(F)c1 ZINC000563137170 306320005 /nfs/dbraw/zinc/32/00/05/306320005.db2.gz AKQVFNHAROXOGI-INIZCTEOSA-N 2 2 341.402 1.730 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000563150288 306320388 /nfs/dbraw/zinc/32/03/88/306320388.db2.gz MMKHCNBWTVIMEM-ZFWWWQNUSA-N 2 2 333.398 1.863 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCC[C@H](C(F)(F)F)C1 ZINC000563150288 306320389 /nfs/dbraw/zinc/32/03/89/306320389.db2.gz MMKHCNBWTVIMEM-ZFWWWQNUSA-N 2 2 333.398 1.863 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H](C)[NH2+]C1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000563157664 306320850 /nfs/dbraw/zinc/32/08/50/306320850.db2.gz KRPWLWQMYJLULY-ZBFHGGJFSA-N 3 2 345.491 1.514 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ncc[nH]1 ZINC000286237332 540083575 /nfs/dbraw/zinc/08/35/75/540083575.db2.gz TVBIBKVIPJHPRE-WMLDXEAASA-N 2 2 341.459 1.958 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ncc[nH]1 ZINC000286237332 540083582 /nfs/dbraw/zinc/08/35/82/540083582.db2.gz TVBIBKVIPJHPRE-WMLDXEAASA-N 2 2 341.459 1.958 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000563271738 306325775 /nfs/dbraw/zinc/32/57/75/306325775.db2.gz ZBSRPGIRBLILNQ-HNNXBMFYSA-N 2 2 325.497 1.866 20 0 EDADLP C[NH+](C)CCCOc1cnccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000290366058 540090122 /nfs/dbraw/zinc/09/01/22/540090122.db2.gz AOAKWNDETRQIKG-UHFFFAOYSA-N 2 2 331.420 1.384 20 0 EDADLP C[NH+](C)CCCOc1cnccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000290366058 540090125 /nfs/dbraw/zinc/09/01/25/540090125.db2.gz AOAKWNDETRQIKG-UHFFFAOYSA-N 2 2 331.420 1.384 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000291098041 540090475 /nfs/dbraw/zinc/09/04/75/540090475.db2.gz BEHGIWZABRZXKH-UHFFFAOYSA-N 2 2 327.432 1.098 20 0 EDADLP O[C@H](COc1ccccc1Cl)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563355446 306329653 /nfs/dbraw/zinc/32/96/53/306329653.db2.gz PIDWYGUPXLTCTE-ZDUSSCGKSA-N 2 2 336.823 1.625 20 0 EDADLP COCC[N@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413057181 304054017 /nfs/dbraw/zinc/05/40/17/304054017.db2.gz WYZBOOOYNFYKKE-CABCVRRESA-N 2 2 337.468 1.064 20 0 EDADLP COCC[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413057181 304054018 /nfs/dbraw/zinc/05/40/18/304054018.db2.gz WYZBOOOYNFYKKE-CABCVRRESA-N 2 2 337.468 1.064 20 0 EDADLP COCC[N@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413057181 304054021 /nfs/dbraw/zinc/05/40/21/304054021.db2.gz WYZBOOOYNFYKKE-CABCVRRESA-N 2 2 337.468 1.064 20 0 EDADLP COCC[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413057181 304054022 /nfs/dbraw/zinc/05/40/22/304054022.db2.gz WYZBOOOYNFYKKE-CABCVRRESA-N 2 2 337.468 1.064 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000075553314 138242757 /nfs/dbraw/zinc/24/27/57/138242757.db2.gz PBFWVRWUEWJOHY-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP CC[C@]1(C)CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000075998661 138244896 /nfs/dbraw/zinc/24/48/96/138244896.db2.gz XRHOQEVLKARAFT-GOSISDBHSA-N 2 2 325.497 1.726 20 0 EDADLP CC[C@]1(C)CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000075998661 138244897 /nfs/dbraw/zinc/24/48/97/138244897.db2.gz XRHOQEVLKARAFT-GOSISDBHSA-N 2 2 325.497 1.726 20 0 EDADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)CCO1 ZINC000079490324 138261782 /nfs/dbraw/zinc/26/17/82/138261782.db2.gz KFPGZXVAUCLWAU-PXNSSMCTSA-N 2 2 348.487 1.749 20 0 EDADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@H](O)COCc3ccccc3)CC2)CCO1 ZINC000079490324 138261783 /nfs/dbraw/zinc/26/17/83/138261783.db2.gz KFPGZXVAUCLWAU-PXNSSMCTSA-N 2 2 348.487 1.749 20 0 EDADLP CC(C)COC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000092223254 138286996 /nfs/dbraw/zinc/28/69/96/138286996.db2.gz DXKRFNIBDLBYAZ-UHFFFAOYSA-N 2 2 347.507 1.865 20 0 EDADLP COc1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000104068175 138299436 /nfs/dbraw/zinc/29/94/36/138299436.db2.gz AVGFMSFOCCLMMP-GOSISDBHSA-N 2 2 331.460 1.652 20 0 EDADLP COc1ccc(CC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000104068175 138299437 /nfs/dbraw/zinc/29/94/37/138299437.db2.gz AVGFMSFOCCLMMP-GOSISDBHSA-N 2 2 331.460 1.652 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000093193126 138292667 /nfs/dbraw/zinc/29/26/67/138292667.db2.gz KZRYINLDDUYJHU-UHFFFAOYSA-N 2 2 335.423 1.195 20 0 EDADLP C[N@H+](CCNS(C)(=O)=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480729 138310206 /nfs/dbraw/zinc/31/02/06/138310206.db2.gz ZEGITBPYXVKTJY-UHFFFAOYSA-N 2 2 325.478 1.132 20 0 EDADLP C[N@@H+](CCNS(C)(=O)=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480729 138310207 /nfs/dbraw/zinc/31/02/07/138310207.db2.gz ZEGITBPYXVKTJY-UHFFFAOYSA-N 2 2 325.478 1.132 20 0 EDADLP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000124854514 138330135 /nfs/dbraw/zinc/33/01/35/138330135.db2.gz GWTWQCYONBRUSW-INIZCTEOSA-N 2 2 326.485 1.130 20 0 EDADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000124854514 138330136 /nfs/dbraw/zinc/33/01/36/138330136.db2.gz GWTWQCYONBRUSW-INIZCTEOSA-N 2 2 326.485 1.130 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000124932066 138330788 /nfs/dbraw/zinc/33/07/88/138330788.db2.gz OODADBVCABFQTD-PBHICJAKSA-N 2 2 335.423 1.362 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000124932066 138330789 /nfs/dbraw/zinc/33/07/89/138330789.db2.gz OODADBVCABFQTD-PBHICJAKSA-N 2 2 335.423 1.362 20 0 EDADLP Cn1nccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000125647964 138335282 /nfs/dbraw/zinc/33/52/82/138335282.db2.gz ZZVXABTYBYEPSJ-UHFFFAOYSA-N 2 2 334.468 1.492 20 0 EDADLP c1nc(N2CCOCC2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000129902601 138339077 /nfs/dbraw/zinc/33/90/77/138339077.db2.gz DTWCARYSKWKDIG-HNNXBMFYSA-N 2 2 336.505 1.897 20 0 EDADLP c1nc(N2CCOCC2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000129902601 138339078 /nfs/dbraw/zinc/33/90/78/138339078.db2.gz DTWCARYSKWKDIG-HNNXBMFYSA-N 2 2 336.505 1.897 20 0 EDADLP COC(=O)[C@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413492120 304062974 /nfs/dbraw/zinc/06/29/74/304062974.db2.gz CGMCCCGYSBHJND-HUUCEWRRSA-N 2 2 347.463 1.254 20 0 EDADLP COC(=O)[C@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413492120 304062977 /nfs/dbraw/zinc/06/29/77/304062977.db2.gz CGMCCCGYSBHJND-HUUCEWRRSA-N 2 2 347.463 1.254 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC[N@H+](C)C1 ZINC000413501973 304064192 /nfs/dbraw/zinc/06/41/92/304064192.db2.gz PPVZUUNVFZGLSV-ZDUSSCGKSA-N 2 2 335.452 1.207 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC[N@@H+](C)C1 ZINC000413501973 304064194 /nfs/dbraw/zinc/06/41/94/304064194.db2.gz PPVZUUNVFZGLSV-ZDUSSCGKSA-N 2 2 335.452 1.207 20 0 EDADLP CN(C(=O)CCCC[NH+]1CCOCC1)C(C)(C)C[NH+]1CCOCC1 ZINC000414037650 304096726 /nfs/dbraw/zinc/09/67/26/304096726.db2.gz GTISMRUGBGSVPI-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000130520493 223159538 /nfs/dbraw/zinc/15/95/38/223159538.db2.gz OCFRCGGNZZHHHB-UHFFFAOYSA-N 2 2 334.855 1.510 20 0 EDADLP C[NH+]1CCC(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000072832849 216312652 /nfs/dbraw/zinc/31/26/52/216312652.db2.gz BUMZWCQRQQGNLW-UHFFFAOYSA-N 2 2 341.459 1.320 20 0 EDADLP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000426352946 296039703 /nfs/dbraw/zinc/03/97/03/296039703.db2.gz SDDLQBMJSXVJPK-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)Cn2ccnn2)CCC[N@@H+]1Cc1ccccc1 ZINC000414200775 304105876 /nfs/dbraw/zinc/10/58/76/304105876.db2.gz XRKKNPBUQQTWGQ-BPQIPLTHSA-N 2 2 329.448 1.282 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)Cn2ccnn2)CCC[N@H+]1Cc1ccccc1 ZINC000414200775 304105878 /nfs/dbraw/zinc/10/58/78/304105878.db2.gz XRKKNPBUQQTWGQ-BPQIPLTHSA-N 2 2 329.448 1.282 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)n1C ZINC000414338687 304108224 /nfs/dbraw/zinc/10/82/24/304108224.db2.gz RSNSKDNBAUZVCU-LBPRGKRZSA-N 2 2 340.374 1.294 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)n1C ZINC000414364371 304112316 /nfs/dbraw/zinc/11/23/16/304112316.db2.gz IUWUWAUWJWDBJP-UHFFFAOYSA-N 3 2 332.452 1.111 20 0 EDADLP C[C@](O)(C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000566063514 306397298 /nfs/dbraw/zinc/39/72/98/306397298.db2.gz ZBTMSIAVVFTYTP-HNNXBMFYSA-N 3 2 346.397 1.497 20 0 EDADLP COC[C@@]1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC[NH2+]1 ZINC000566728220 306426517 /nfs/dbraw/zinc/42/65/17/306426517.db2.gz QEBCCNXYXVELAV-WBVHZDCISA-N 2 2 334.420 1.013 20 0 EDADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]([NH3+])C2)c(C)c1 ZINC000566727767 306426591 /nfs/dbraw/zinc/42/65/91/306426591.db2.gz CPVXMZFBIOTEFE-DOTOQJQBSA-N 2 2 327.432 1.984 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N2CC[NH2+]C[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000415148265 304165287 /nfs/dbraw/zinc/16/52/87/304165287.db2.gz JZACSTILHYXTGV-GJZGRUSLSA-N 2 2 332.448 1.905 20 0 EDADLP C[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000195527025 139020251 /nfs/dbraw/zinc/02/02/51/139020251.db2.gz ZVNVEMRGRLTCEL-XHSDSOJGSA-N 2 2 346.475 1.796 20 0 EDADLP C[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000195527025 139020252 /nfs/dbraw/zinc/02/02/52/139020252.db2.gz ZVNVEMRGRLTCEL-XHSDSOJGSA-N 2 2 346.475 1.796 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000079201227 217201523 /nfs/dbraw/zinc/20/15/23/217201523.db2.gz XQCOCUSMEKTUGZ-HNNXBMFYSA-N 2 2 328.501 1.373 20 0 EDADLP COC(C)(C)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237129401 139041628 /nfs/dbraw/zinc/04/16/28/139041628.db2.gz VRRLTZDSHUQZLW-INIZCTEOSA-N 2 2 330.432 1.342 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000237164115 139042644 /nfs/dbraw/zinc/04/26/44/139042644.db2.gz JWGBXNCAJMCWFF-IBGZPJMESA-N 3 2 344.503 1.751 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c[nH+]2)C[C@@H](C)O1 ZINC000237527337 139053323 /nfs/dbraw/zinc/05/33/23/139053323.db2.gz BAUBFGHZXFDBFW-XJKCOSOUSA-N 2 2 334.464 1.685 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111581723 220166204 /nfs/dbraw/zinc/16/62/04/220166204.db2.gz GOPKLDBZPBRVEI-MAUKXSAKSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111581723 220166208 /nfs/dbraw/zinc/16/62/08/220166208.db2.gz GOPKLDBZPBRVEI-MAUKXSAKSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111581718 220166819 /nfs/dbraw/zinc/16/68/19/220166819.db2.gz GOPKLDBZPBRVEI-YJBOKZPZSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111581718 220166822 /nfs/dbraw/zinc/16/68/22/220166822.db2.gz GOPKLDBZPBRVEI-YJBOKZPZSA-N 2 2 348.466 1.547 20 0 EDADLP [NH3+][C@H](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000237861606 139062279 /nfs/dbraw/zinc/06/22/79/139062279.db2.gz OGEULZCGGDLQCZ-QGZVFWFLSA-N 2 2 340.427 1.625 20 0 EDADLP [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000237961256 139065077 /nfs/dbraw/zinc/06/50/77/139065077.db2.gz JOEVKDZODPRLPD-DOTOQJQBSA-N 2 2 347.459 1.141 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238041011 139067435 /nfs/dbraw/zinc/06/74/35/139067435.db2.gz BTZZLFIISBDKKN-PVAVHDDUSA-N 2 2 344.459 1.455 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111868086 220212865 /nfs/dbraw/zinc/21/28/65/220212865.db2.gz VWDAQQPGYQFAKC-MRXNPFEDSA-N 2 2 335.452 1.340 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000111868086 220212869 /nfs/dbraw/zinc/21/28/69/220212869.db2.gz VWDAQQPGYQFAKC-MRXNPFEDSA-N 2 2 335.452 1.340 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000245429159 139074099 /nfs/dbraw/zinc/07/40/99/139074099.db2.gz MXOQAXRFZNOQDK-ZFWWWQNUSA-N 2 2 336.436 1.268 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000245429159 139074100 /nfs/dbraw/zinc/07/41/00/139074100.db2.gz MXOQAXRFZNOQDK-ZFWWWQNUSA-N 2 2 336.436 1.268 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000245429159 139074101 /nfs/dbraw/zinc/07/41/01/139074101.db2.gz MXOQAXRFZNOQDK-ZFWWWQNUSA-N 2 2 336.436 1.268 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000245429159 139074102 /nfs/dbraw/zinc/07/41/02/139074102.db2.gz MXOQAXRFZNOQDK-ZFWWWQNUSA-N 2 2 336.436 1.268 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000245702212 139083866 /nfs/dbraw/zinc/08/38/66/139083866.db2.gz ZMKZDFGQSLZPSR-IKGGRYGDSA-N 2 2 332.448 1.062 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccccc1 ZINC000245702212 139083867 /nfs/dbraw/zinc/08/38/67/139083867.db2.gz ZMKZDFGQSLZPSR-IKGGRYGDSA-N 2 2 332.448 1.062 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000245702212 139083868 /nfs/dbraw/zinc/08/38/68/139083868.db2.gz ZMKZDFGQSLZPSR-IKGGRYGDSA-N 2 2 332.448 1.062 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccccc1 ZINC000245702212 139083869 /nfs/dbraw/zinc/08/38/69/139083869.db2.gz ZMKZDFGQSLZPSR-IKGGRYGDSA-N 2 2 332.448 1.062 20 0 EDADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC000246345406 139104916 /nfs/dbraw/zinc/10/49/16/139104916.db2.gz VJBYDMPAJVRSOK-ZWKOTPCHSA-N 2 2 336.524 1.347 20 0 EDADLP C[C@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC000246345406 139104917 /nfs/dbraw/zinc/10/49/17/139104917.db2.gz VJBYDMPAJVRSOK-ZWKOTPCHSA-N 2 2 336.524 1.347 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000246357131 139105306 /nfs/dbraw/zinc/10/53/06/139105306.db2.gz IFAAKUHFPOOFGQ-AAVRWANBSA-N 2 2 346.518 1.201 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000246357131 139105307 /nfs/dbraw/zinc/10/53/07/139105307.db2.gz IFAAKUHFPOOFGQ-AAVRWANBSA-N 2 2 346.518 1.201 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246359526 139105492 /nfs/dbraw/zinc/10/54/92/139105492.db2.gz KJLRAQDMFRAJPO-IRXDYDNUSA-N 2 2 333.476 1.762 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246359526 139105493 /nfs/dbraw/zinc/10/54/93/139105493.db2.gz KJLRAQDMFRAJPO-IRXDYDNUSA-N 2 2 333.476 1.762 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000246561265 139112820 /nfs/dbraw/zinc/11/28/20/139112820.db2.gz HIDUDKYIABCOKN-JYJNAYRXSA-N 2 2 335.452 1.166 20 0 EDADLP O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266010959 248026798 /nfs/dbraw/zinc/02/67/98/248026798.db2.gz LWRDYZMQULUYHU-NVXWUHKLSA-N 2 2 338.423 1.220 20 0 EDADLP O[C@@H](COc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266010959 248026801 /nfs/dbraw/zinc/02/68/01/248026801.db2.gz LWRDYZMQULUYHU-NVXWUHKLSA-N 2 2 338.423 1.220 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118085 139136398 /nfs/dbraw/zinc/13/63/98/139136398.db2.gz FMYIXEDNQCQMFJ-FUHWJXTLSA-N 2 2 334.460 1.903 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118085 139136399 /nfs/dbraw/zinc/13/63/99/139136399.db2.gz FMYIXEDNQCQMFJ-FUHWJXTLSA-N 2 2 334.460 1.903 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118085 139136400 /nfs/dbraw/zinc/13/64/00/139136400.db2.gz FMYIXEDNQCQMFJ-FUHWJXTLSA-N 2 2 334.460 1.903 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118085 139136401 /nfs/dbraw/zinc/13/64/01/139136401.db2.gz FMYIXEDNQCQMFJ-FUHWJXTLSA-N 2 2 334.460 1.903 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000568371881 306479945 /nfs/dbraw/zinc/47/99/45/306479945.db2.gz HVQXWDKNBOXYSW-KBMXLJTQSA-N 2 2 327.432 1.807 20 0 EDADLP [NH3+]CC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000237972608 295217522 /nfs/dbraw/zinc/21/75/22/295217522.db2.gz WWPSTKVFQSWPOH-ZDUSSCGKSA-N 2 2 331.338 1.154 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248133158 139158433 /nfs/dbraw/zinc/15/84/33/139158433.db2.gz WWOLPCRZVHTIIQ-ZWKOTPCHSA-N 2 2 346.475 1.405 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000248133158 139158434 /nfs/dbraw/zinc/15/84/34/139158434.db2.gz WWOLPCRZVHTIIQ-ZWKOTPCHSA-N 2 2 346.475 1.405 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248133154 139158515 /nfs/dbraw/zinc/15/85/15/139158515.db2.gz WWOLPCRZVHTIIQ-QZTJIDSGSA-N 2 2 346.475 1.405 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000248133154 139158516 /nfs/dbraw/zinc/15/85/16/139158516.db2.gz WWOLPCRZVHTIIQ-QZTJIDSGSA-N 2 2 346.475 1.405 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(COC)cc2)CC1 ZINC000093045538 218189657 /nfs/dbraw/zinc/18/96/57/218189657.db2.gz CMPAZJWABFDQEK-UHFFFAOYSA-N 2 2 333.476 1.819 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1CCO ZINC000249514299 139194753 /nfs/dbraw/zinc/19/47/53/139194753.db2.gz PPGVGOQTRQWJJF-MAUKXSAKSA-N 2 2 349.450 1.315 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1CCO ZINC000249514299 139194754 /nfs/dbraw/zinc/19/47/54/139194754.db2.gz PPGVGOQTRQWJJF-MAUKXSAKSA-N 2 2 349.450 1.315 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1CCO ZINC000249514299 139194755 /nfs/dbraw/zinc/19/47/55/139194755.db2.gz PPGVGOQTRQWJJF-MAUKXSAKSA-N 2 2 349.450 1.315 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1CCO ZINC000249514299 139194756 /nfs/dbraw/zinc/19/47/56/139194756.db2.gz PPGVGOQTRQWJJF-MAUKXSAKSA-N 2 2 349.450 1.315 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000410535278 250342705 /nfs/dbraw/zinc/34/27/05/250342705.db2.gz RBNSFJOSZFBHOF-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000410535278 250342715 /nfs/dbraw/zinc/34/27/15/250342715.db2.gz RBNSFJOSZFBHOF-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000410535278 250342719 /nfs/dbraw/zinc/34/27/19/250342719.db2.gz RBNSFJOSZFBHOF-HNNXBMFYSA-N 2 2 347.463 1.058 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1CCO ZINC000249526577 139195032 /nfs/dbraw/zinc/19/50/32/139195032.db2.gz YRHRYKFJHXNSML-FUHWJXTLSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000249526577 139195033 /nfs/dbraw/zinc/19/50/33/139195033.db2.gz YRHRYKFJHXNSML-FUHWJXTLSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000249526577 139195034 /nfs/dbraw/zinc/19/50/34/139195034.db2.gz YRHRYKFJHXNSML-FUHWJXTLSA-N 2 2 331.460 1.176 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250283176 139200922 /nfs/dbraw/zinc/20/09/22/139200922.db2.gz ILVMXLUUXMZIEW-FGTMMUONSA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250283176 139200923 /nfs/dbraw/zinc/20/09/23/139200923.db2.gz ILVMXLUUXMZIEW-FGTMMUONSA-N 2 2 338.540 1.638 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000415447973 304221083 /nfs/dbraw/zinc/22/10/83/304221083.db2.gz LCANGSPUMJXWAL-DZGCQCFKSA-N 2 2 341.415 1.269 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000261906928 139235777 /nfs/dbraw/zinc/23/57/77/139235777.db2.gz XDFCMXHBCBMHBM-QGZVFWFLSA-N 2 2 336.505 1.063 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000261906928 139235778 /nfs/dbraw/zinc/23/57/78/139235778.db2.gz XDFCMXHBCBMHBM-QGZVFWFLSA-N 2 2 336.505 1.063 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000261906928 139235779 /nfs/dbraw/zinc/23/57/79/139235779.db2.gz XDFCMXHBCBMHBM-QGZVFWFLSA-N 3 2 336.505 1.063 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000261906928 139235780 /nfs/dbraw/zinc/23/57/80/139235780.db2.gz XDFCMXHBCBMHBM-QGZVFWFLSA-N 3 2 336.505 1.063 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)C3(n4cccn4)CC[NH2+]CC3)cn21 ZINC000262217319 139260912 /nfs/dbraw/zinc/26/09/12/139260912.db2.gz JFGHPDWEORYZNQ-UHFFFAOYSA-N 2 2 338.415 1.234 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000416881454 251117539 /nfs/dbraw/zinc/11/75/39/251117539.db2.gz HEPZDZJROMWQHD-UKRRQHHQSA-N 2 2 329.448 1.971 20 0 EDADLP [NH3+]CC1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCOCC1 ZINC000262328925 139270572 /nfs/dbraw/zinc/27/05/72/139270572.db2.gz SBCVDIIWRAEZBO-UHFFFAOYSA-N 2 2 342.443 1.498 20 0 EDADLP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4C[C@@H](O)C[NH2+]4)cc3)[nH+]c12 ZINC000262349697 139272170 /nfs/dbraw/zinc/27/21/70/139272170.db2.gz HFRIBIMPPSOHPW-HZPDHXFCSA-N 2 2 336.395 1.971 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417584674 251197791 /nfs/dbraw/zinc/19/77/91/251197791.db2.gz NOJILZNZQCKCQI-STQMWFEESA-N 2 2 340.418 1.836 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417584674 251197796 /nfs/dbraw/zinc/19/77/96/251197796.db2.gz NOJILZNZQCKCQI-STQMWFEESA-N 2 2 340.418 1.836 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@H]3[NH2+]CCO[C@@H]3C)c[nH+]2)CC1 ZINC000262390862 139275636 /nfs/dbraw/zinc/27/56/36/139275636.db2.gz XWRZUXCGKWHPSU-PBHICJAKSA-N 2 2 332.448 1.311 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1c(F)cccc1F ZINC000417659342 251215437 /nfs/dbraw/zinc/21/54/37/251215437.db2.gz LDQNFLWLQSUMRI-TYNCELHUSA-N 2 2 338.402 1.428 20 0 EDADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415578191 304230739 /nfs/dbraw/zinc/23/07/39/304230739.db2.gz ZPVCYNKEEIVUET-QWHCGFSZSA-N 2 2 341.415 1.234 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1c(F)cccc1F ZINC000417832570 251290307 /nfs/dbraw/zinc/29/03/07/251290307.db2.gz TVHPTEDGEJAMFM-WBVHZDCISA-N 2 2 331.366 1.968 20 0 EDADLP C[C@@H](c1cccc(NC(=O)C[C@@H]2COCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000262472401 139281333 /nfs/dbraw/zinc/28/13/33/139281333.db2.gz YLQZUCPWFPKJHG-WMLDXEAASA-N 2 2 333.432 1.397 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000418445246 251371691 /nfs/dbraw/zinc/37/16/91/251371691.db2.gz XYDRLMSQLCYDOR-OAHLLOKOSA-N 2 2 333.480 1.987 20 0 EDADLP CC1(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]CC1 ZINC000418524526 251375966 /nfs/dbraw/zinc/37/59/66/251375966.db2.gz WKNAJSDLXOLNCP-UHFFFAOYSA-N 2 2 336.505 1.965 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCCCNc2cccc[nH+]2)C1(C)C ZINC000262794156 139303972 /nfs/dbraw/zinc/30/39/72/139303972.db2.gz PEGXZIDOWNARSY-KDOFPFPSSA-N 2 2 334.464 1.922 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000153040086 224049698 /nfs/dbraw/zinc/04/96/98/224049698.db2.gz FZOSNZLUFHDTBS-RHSMWYFYSA-N 2 2 340.489 1.181 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000153040086 224049701 /nfs/dbraw/zinc/04/97/01/224049701.db2.gz FZOSNZLUFHDTBS-RHSMWYFYSA-N 2 2 340.489 1.181 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCC[NH2+]1 ZINC000422897979 252015599 /nfs/dbraw/zinc/01/55/99/252015599.db2.gz DDQHOPLTPBELRR-QRTARXTBSA-N 2 2 347.459 1.431 20 0 EDADLP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422859843 252001359 /nfs/dbraw/zinc/00/13/59/252001359.db2.gz KYWNZOJBAYTAQO-OALUTQOASA-N 2 2 326.444 1.771 20 0 EDADLP CC[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422862820 252003480 /nfs/dbraw/zinc/00/34/80/252003480.db2.gz QKZILPCOHKXCCO-IRXDYDNUSA-N 2 2 340.489 1.979 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423180966 252043539 /nfs/dbraw/zinc/04/35/39/252043539.db2.gz LAFMKPUABNFQDR-KXBFYZLASA-N 3 2 344.503 1.614 20 0 EDADLP [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000423319758 252046427 /nfs/dbraw/zinc/04/64/27/252046427.db2.gz CXYMQHMZECQCLY-KRWDZBQOSA-N 2 2 346.475 1.832 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422907972 252018362 /nfs/dbraw/zinc/01/83/62/252018362.db2.gz CMUCODGUHBQUHW-RBUKOAKNSA-N 3 2 346.519 1.988 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[NH2+]1 ZINC000422908324 252018497 /nfs/dbraw/zinc/01/84/97/252018497.db2.gz YGWNMMGHZGJSHU-BJJXKVORSA-N 2 2 333.432 1.041 20 0 EDADLP COCC[C@@]1(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)CC[NH2+]C1 ZINC000423849141 252090697 /nfs/dbraw/zinc/09/06/97/252090697.db2.gz RHWBIXSYLGRTBR-SFHVURJKSA-N 2 2 328.416 1.709 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000423794003 252077314 /nfs/dbraw/zinc/07/73/14/252077314.db2.gz CXKQAFLMSLDUBS-QAPCUYQASA-N 2 2 338.455 1.916 20 0 EDADLP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000424127937 252133769 /nfs/dbraw/zinc/13/37/69/252133769.db2.gz DVQVTICEXWRKGP-OLZOCXBDSA-N 2 2 328.420 1.620 20 0 EDADLP CCc1nc(CN2CC[NH+](C[C@H](C[NH3+])c3ccc(F)cc3)CC2)no1 ZINC000424303798 252193980 /nfs/dbraw/zinc/19/39/80/252193980.db2.gz PDWMMDCLRZHEEP-HNNXBMFYSA-N 2 2 347.438 1.631 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000424332764 252197727 /nfs/dbraw/zinc/19/77/27/252197727.db2.gz LGANUYLCIIJUIJ-ZIAGYGMSSA-N 2 2 327.375 1.764 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000424443398 252233502 /nfs/dbraw/zinc/23/35/02/252233502.db2.gz BIXCPKMDYGOWOV-UHFFFAOYSA-N 2 2 341.415 1.522 20 0 EDADLP COCC[NH2+]CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000165133688 533019206 /nfs/dbraw/zinc/01/92/06/533019206.db2.gz CUHVMUFGDJKDOI-HUUCEWRRSA-N 2 2 335.448 1.470 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000112438121 220328399 /nfs/dbraw/zinc/32/83/99/220328399.db2.gz KWHPGKCAWAVCGW-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000112438121 220328403 /nfs/dbraw/zinc/32/84/03/220328403.db2.gz KWHPGKCAWAVCGW-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000643454547 452230952 /nfs/dbraw/zinc/23/09/52/452230952.db2.gz CLIMLUYFHZOTST-CJNGLKHVSA-N 2 2 325.478 1.356 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427116933 254503279 /nfs/dbraw/zinc/50/32/79/254503279.db2.gz ZVOOMDKEQIKWHW-WCQYABFASA-N 2 2 332.370 1.853 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427116933 254503281 /nfs/dbraw/zinc/50/32/81/254503281.db2.gz ZVOOMDKEQIKWHW-WCQYABFASA-N 2 2 332.370 1.853 20 0 EDADLP C[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+](C)CC1 ZINC000263740840 139357050 /nfs/dbraw/zinc/35/70/50/139357050.db2.gz IJGPDZWUHRMZFC-MRXNPFEDSA-N 2 2 341.459 1.297 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487143197 255026877 /nfs/dbraw/zinc/02/68/77/255026877.db2.gz VWHQTHBXGLXCCS-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000487143197 255026878 /nfs/dbraw/zinc/02/68/78/255026878.db2.gz VWHQTHBXGLXCCS-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP C[NH+](C)CCn1nnnc1SCc1[nH+]ccn1Cc1ccccc1 ZINC000488761309 255052915 /nfs/dbraw/zinc/05/29/15/255052915.db2.gz GHJDZXTYLJIVOX-UHFFFAOYSA-N 2 2 343.460 1.772 20 0 EDADLP [NH3+]CC1(O)CCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000493468567 255210317 /nfs/dbraw/zinc/21/03/17/255210317.db2.gz QZOBERZYAAOUGJ-ZZXKWVIFSA-N 2 2 326.400 1.198 20 0 EDADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000493641554 255218000 /nfs/dbraw/zinc/21/80/00/255218000.db2.gz BMLKRQQAQMMSQU-ARJAWSKDSA-N 2 2 332.448 1.774 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000493181572 255194992 /nfs/dbraw/zinc/19/49/92/255194992.db2.gz CHOFUZOMUYRKMJ-MIVXPEEVSA-N 2 2 326.400 1.175 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000493181572 255194993 /nfs/dbraw/zinc/19/49/93/255194993.db2.gz CHOFUZOMUYRKMJ-MIVXPEEVSA-N 2 2 326.400 1.175 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495377640 255282441 /nfs/dbraw/zinc/28/24/41/255282441.db2.gz RPUSPADXCONCPC-QGZVFWFLSA-N 2 2 329.485 1.537 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495377640 255282442 /nfs/dbraw/zinc/28/24/42/255282442.db2.gz RPUSPADXCONCPC-QGZVFWFLSA-N 2 2 329.485 1.537 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000494671410 255257154 /nfs/dbraw/zinc/25/71/54/255257154.db2.gz VPMCRKQYBPUWLW-JKSUJKDBSA-N 2 2 341.459 1.966 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000263938790 139370939 /nfs/dbraw/zinc/37/09/39/139370939.db2.gz AKTOYWGYSSCBFA-QGZVFWFLSA-N 2 2 346.475 1.617 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000263938790 139370940 /nfs/dbraw/zinc/37/09/40/139370940.db2.gz AKTOYWGYSSCBFA-QGZVFWFLSA-N 2 2 346.475 1.617 20 0 EDADLP CCc1ccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000118835202 221192075 /nfs/dbraw/zinc/19/20/75/221192075.db2.gz YURKTLPDFVWKFR-IBGZPJMESA-N 2 2 344.503 1.899 20 0 EDADLP CCc1ccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000118835202 221192078 /nfs/dbraw/zinc/19/20/78/221192078.db2.gz YURKTLPDFVWKFR-IBGZPJMESA-N 2 2 344.503 1.899 20 0 EDADLP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1C ZINC000154642402 224284350 /nfs/dbraw/zinc/28/43/50/224284350.db2.gz XBZHFBAVKJPMFC-SJPCQFCGSA-N 2 2 330.476 1.717 20 0 EDADLP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1C ZINC000154642402 224284353 /nfs/dbraw/zinc/28/43/53/224284353.db2.gz XBZHFBAVKJPMFC-SJPCQFCGSA-N 2 2 330.476 1.717 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000264194055 139385916 /nfs/dbraw/zinc/38/59/16/139385916.db2.gz OYERUVJZQMINMH-UHFFFAOYSA-N 2 2 343.431 1.617 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000570725506 306549452 /nfs/dbraw/zinc/54/94/52/306549452.db2.gz UGXIGCXXMNDVGP-SJLPKXTDSA-N 2 2 330.476 1.313 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C[C@@H]1[NH3+] ZINC000415848272 304281169 /nfs/dbraw/zinc/28/11/69/304281169.db2.gz VDQLNGINLLUKTQ-WBMJQRKESA-N 2 2 340.383 1.618 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000571360970 306563468 /nfs/dbraw/zinc/56/34/68/306563468.db2.gz LZSQBPBLFRAVGJ-UHFFFAOYSA-N 2 2 332.448 1.735 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000416224859 304297838 /nfs/dbraw/zinc/29/78/38/304297838.db2.gz RFJOAWYKDWSMDF-QZTJIDSGSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000416224859 304297836 /nfs/dbraw/zinc/29/78/36/304297836.db2.gz RFJOAWYKDWSMDF-QZTJIDSGSA-N 2 2 333.476 1.906 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000269986955 140029191 /nfs/dbraw/zinc/02/91/91/140029191.db2.gz ROSKICJKGPZUPE-BZUAXINKSA-N 2 2 329.448 1.586 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000269986955 140029193 /nfs/dbraw/zinc/02/91/93/140029193.db2.gz ROSKICJKGPZUPE-BZUAXINKSA-N 2 2 329.448 1.586 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000270571110 140125698 /nfs/dbraw/zinc/12/56/98/140125698.db2.gz ATYBEQFRMUOPDK-UHFFFAOYSA-N 2 2 328.416 1.745 20 0 EDADLP COc1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1F ZINC000270676334 140145991 /nfs/dbraw/zinc/14/59/91/140145991.db2.gz RDYDKMJLRHIFOS-UHFFFAOYSA-N 2 2 337.439 1.932 20 0 EDADLP COc1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1F ZINC000270676334 140145993 /nfs/dbraw/zinc/14/59/93/140145993.db2.gz RDYDKMJLRHIFOS-UHFFFAOYSA-N 2 2 337.439 1.932 20 0 EDADLP CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](O)C(F)(F)F ZINC000270774146 140166213 /nfs/dbraw/zinc/16/62/13/140166213.db2.gz ATEUSOSSOSBMSF-CHWSQXEVSA-N 2 2 347.385 1.020 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@]2(O)CCc3ccccc32)CC1 ZINC000271841835 140359584 /nfs/dbraw/zinc/35/95/84/140359584.db2.gz TUJGKXQGLUCBAN-HXUWFJFHSA-N 2 2 346.471 1.828 20 0 EDADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000416303053 304307357 /nfs/dbraw/zinc/30/73/57/304307357.db2.gz GOKQYIXYLQATNE-HOTGVXAUSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000416303053 304307358 /nfs/dbraw/zinc/30/73/58/304307358.db2.gz GOKQYIXYLQATNE-HOTGVXAUSA-N 2 2 342.443 1.459 20 0 EDADLP CCc1cc(CCC[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)on1 ZINC000331612400 141056892 /nfs/dbraw/zinc/05/68/92/141056892.db2.gz FOKSCXFFPZTCNL-KRWDZBQOSA-N 2 2 334.464 1.408 20 0 EDADLP CCc1cc(CCC[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)on1 ZINC000331612400 141056893 /nfs/dbraw/zinc/05/68/93/141056893.db2.gz FOKSCXFFPZTCNL-KRWDZBQOSA-N 2 2 334.464 1.408 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000332283379 141155969 /nfs/dbraw/zinc/15/59/69/141155969.db2.gz JYLDNHRCWYCFBU-QBPKDAKJSA-N 2 2 338.496 1.256 20 0 EDADLP COC(=O)C1CCN(C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000332354780 141167924 /nfs/dbraw/zinc/16/79/24/141167924.db2.gz BRQLYJARFBADEF-UHFFFAOYSA-N 2 2 334.420 1.001 20 0 EDADLP COC(=O)C1CCN(C(=O)C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000332354780 141167926 /nfs/dbraw/zinc/16/79/26/141167926.db2.gz BRQLYJARFBADEF-UHFFFAOYSA-N 2 2 334.420 1.001 20 0 EDADLP C[C@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@H](C[NH3+])C1 ZINC000332559167 141203132 /nfs/dbraw/zinc/20/31/32/141203132.db2.gz UADORQLOIWPAEM-HOCLYGCPSA-N 2 2 331.464 1.819 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000333221843 141283123 /nfs/dbraw/zinc/28/31/23/141283123.db2.gz DUYJXSNGBMIAMD-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000333221843 141283124 /nfs/dbraw/zinc/28/31/24/141283124.db2.gz DUYJXSNGBMIAMD-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000333221843 141283125 /nfs/dbraw/zinc/28/31/25/141283125.db2.gz DUYJXSNGBMIAMD-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000333221843 141283126 /nfs/dbraw/zinc/28/31/26/141283126.db2.gz DUYJXSNGBMIAMD-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000333405121 141312721 /nfs/dbraw/zinc/31/27/21/141312721.db2.gz FOUCLKAEDYBOJC-CVEARBPZSA-N 2 2 331.464 1.988 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000333405121 141312722 /nfs/dbraw/zinc/31/27/22/141312722.db2.gz FOUCLKAEDYBOJC-CVEARBPZSA-N 2 2 331.464 1.988 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)[nH+]cn1 ZINC000333615282 141345351 /nfs/dbraw/zinc/34/53/51/141345351.db2.gz YQMPGTFDVPFOCU-CVEARBPZSA-N 2 2 331.464 1.406 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc[nH+]1 ZINC000333615282 141345352 /nfs/dbraw/zinc/34/53/52/141345352.db2.gz YQMPGTFDVPFOCU-CVEARBPZSA-N 2 2 331.464 1.406 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc[nH+]1 ZINC000333674360 141354431 /nfs/dbraw/zinc/35/44/31/141354431.db2.gz NRAKAGXRHXPDNI-LDDOYCOJSA-N 2 2 331.464 1.890 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)on1 ZINC000333822528 141388397 /nfs/dbraw/zinc/38/83/97/141388397.db2.gz HWXSHMQSYJLRAV-NOLJZWGESA-N 2 2 336.436 1.528 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000333851183 141394353 /nfs/dbraw/zinc/39/43/53/141394353.db2.gz PLLYFBXKYHGYMY-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000333851183 141394354 /nfs/dbraw/zinc/39/43/54/141394354.db2.gz PLLYFBXKYHGYMY-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333866929 141397198 /nfs/dbraw/zinc/39/71/98/141397198.db2.gz AZPHNOXSUHTCLX-DLBZAZTESA-N 2 2 343.475 1.965 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]12 ZINC000333910109 141408207 /nfs/dbraw/zinc/40/82/07/141408207.db2.gz LBPBXKBYSZIHRX-BZUAXINKSA-N 2 2 329.448 1.561 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1CCCn2cc[nH+]c21)C(C)C ZINC000339613070 142093928 /nfs/dbraw/zinc/09/39/28/142093928.db2.gz HZZLNBBQNNFUEX-HNNXBMFYSA-N 2 2 349.479 1.112 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H](C)CO ZINC000339624364 142098584 /nfs/dbraw/zinc/09/85/84/142098584.db2.gz ANTNYDHGTYCXJN-SJORKVTESA-N 2 2 333.476 1.595 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H](C)CO ZINC000339624364 142098586 /nfs/dbraw/zinc/09/85/86/142098586.db2.gz ANTNYDHGTYCXJN-SJORKVTESA-N 2 2 333.476 1.595 20 0 EDADLP CC(C)NS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340292801 142331782 /nfs/dbraw/zinc/33/17/82/142331782.db2.gz ZJCODYFBTVNUQM-DLBZAZTESA-N 2 2 339.505 1.739 20 0 EDADLP CC(C)NS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340292801 142331784 /nfs/dbraw/zinc/33/17/84/142331784.db2.gz ZJCODYFBTVNUQM-DLBZAZTESA-N 2 2 339.505 1.739 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3C[C@@H]3C(F)F)CC2)CC1 ZINC000344728236 143003861 /nfs/dbraw/zinc/00/38/61/143003861.db2.gz WJDUKGOXBVUZGD-KBPBESRZSA-N 2 2 330.423 1.498 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)C1 ZINC000345374782 143083660 /nfs/dbraw/zinc/08/36/60/143083660.db2.gz LNRZSMSDMQXJHP-ULQDDVLXSA-N 2 2 330.476 1.954 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)C1 ZINC000345374782 143083661 /nfs/dbraw/zinc/08/36/61/143083661.db2.gz LNRZSMSDMQXJHP-ULQDDVLXSA-N 2 2 330.476 1.954 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)cc1F ZINC000345750955 143128781 /nfs/dbraw/zinc/12/87/81/143128781.db2.gz BSFHUTMHWLGIGT-ZDUSSCGKSA-N 2 2 345.365 1.461 20 0 EDADLP CC[C@@H](C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)[NH+](CC)CC ZINC000345801408 143135043 /nfs/dbraw/zinc/13/50/43/143135043.db2.gz MIRANVFKSVOHGL-DOTOQJQBSA-N 2 2 343.537 1.431 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000345810742 143135957 /nfs/dbraw/zinc/13/59/57/143135957.db2.gz QCMSCAKROUOMOY-ZDUSSCGKSA-N 2 2 327.375 1.748 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@H](C)N1CCOCC1 ZINC000346061712 143163212 /nfs/dbraw/zinc/16/32/12/143163212.db2.gz BAOUKWYJRNEDQQ-IAGOWNOFSA-N 2 2 332.492 1.745 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000346126648 143170447 /nfs/dbraw/zinc/17/04/47/143170447.db2.gz SUQARVYLCABJIH-MRXNPFEDSA-N 2 2 335.496 1.396 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000346126648 143170448 /nfs/dbraw/zinc/17/04/48/143170448.db2.gz SUQARVYLCABJIH-MRXNPFEDSA-N 2 2 335.496 1.396 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)[nH+]1 ZINC000346371374 143197889 /nfs/dbraw/zinc/19/78/89/143197889.db2.gz LWEPVPRVZROJMW-KRWDZBQOSA-N 2 2 346.475 1.584 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)[nH+]1 ZINC000346371374 143197890 /nfs/dbraw/zinc/19/78/90/143197890.db2.gz LWEPVPRVZROJMW-KRWDZBQOSA-N 2 2 346.475 1.584 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346550959 143215826 /nfs/dbraw/zinc/21/58/26/143215826.db2.gz DZGSCXNKUVXMHG-BEFAXECRSA-N 2 2 343.450 1.931 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)C1CC[NH2+]CC1 ZINC000346598700 143220716 /nfs/dbraw/zinc/22/07/16/143220716.db2.gz XUBIZDAWZMMPAX-UHFFFAOYSA-N 2 2 331.464 1.694 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)C1CC[NH2+]CC1 ZINC000346598700 143220717 /nfs/dbraw/zinc/22/07/17/143220717.db2.gz XUBIZDAWZMMPAX-UHFFFAOYSA-N 2 2 331.464 1.694 20 0 EDADLP CCOc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346859573 143252502 /nfs/dbraw/zinc/25/25/02/143252502.db2.gz YZQMLDWCXUHEDL-MRXNPFEDSA-N 2 2 331.460 1.843 20 0 EDADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000347200402 143294104 /nfs/dbraw/zinc/29/41/04/143294104.db2.gz JJJUPQVQVRXWRY-UHFFFAOYSA-N 2 2 343.374 1.160 20 0 EDADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000347200402 143294105 /nfs/dbraw/zinc/29/41/05/143294105.db2.gz JJJUPQVQVRXWRY-UHFFFAOYSA-N 2 2 343.374 1.160 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000573140882 306613121 /nfs/dbraw/zinc/61/31/21/306613121.db2.gz JNEKMVBTYMHTSH-AWEZNQCLSA-N 2 2 336.411 1.023 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416818642 304349851 /nfs/dbraw/zinc/34/98/51/304349851.db2.gz RDSIAWXWJSYMOD-ROUUACIJSA-N 2 2 348.491 1.704 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416818642 304349853 /nfs/dbraw/zinc/34/98/53/304349853.db2.gz RDSIAWXWJSYMOD-ROUUACIJSA-N 2 2 348.491 1.704 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000416894649 304353856 /nfs/dbraw/zinc/35/38/56/304353856.db2.gz ZCEWQVRFYDWBIA-WBVHZDCISA-N 2 2 334.464 1.405 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000369907319 155226398 /nfs/dbraw/zinc/22/63/98/155226398.db2.gz DGLRWDOGOGRXPC-HNNXBMFYSA-N 2 2 348.535 1.392 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000369907319 155226400 /nfs/dbraw/zinc/22/64/00/155226400.db2.gz DGLRWDOGOGRXPC-HNNXBMFYSA-N 2 2 348.535 1.392 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000352865210 149195372 /nfs/dbraw/zinc/19/53/72/149195372.db2.gz FQJFBJLWDFCGJY-KGLIPLIRSA-N 2 2 334.464 1.332 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000352865210 149195376 /nfs/dbraw/zinc/19/53/76/149195376.db2.gz FQJFBJLWDFCGJY-KGLIPLIRSA-N 2 2 334.464 1.332 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1ccccc1 ZINC000353012689 149253084 /nfs/dbraw/zinc/25/30/84/149253084.db2.gz AQRGHBBUINDCNC-IXDOHACOSA-N 2 2 332.448 1.014 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1ccccc1 ZINC000353012689 149253087 /nfs/dbraw/zinc/25/30/87/149253087.db2.gz AQRGHBBUINDCNC-IXDOHACOSA-N 2 2 332.448 1.014 20 0 EDADLP Cc1[nH]nc2ncc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)cc12 ZINC000353285280 149351439 /nfs/dbraw/zinc/35/14/39/149351439.db2.gz HDSYPCCOOCLYIX-OAHLLOKOSA-N 2 2 329.448 1.811 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000416961843 304356104 /nfs/dbraw/zinc/35/61/04/304356104.db2.gz SNZIYQRKLGQYSL-KRWDZBQOSA-N 2 2 341.459 1.867 20 0 EDADLP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000416971239 304357870 /nfs/dbraw/zinc/35/78/70/304357870.db2.gz CMKIXPSSXICTGQ-MRXNPFEDSA-N 2 2 331.464 1.823 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000354871351 150004711 /nfs/dbraw/zinc/00/47/11/150004711.db2.gz MZFSWWIFPHJGPP-LSDHHAIUSA-N 2 2 336.386 1.967 20 0 EDADLP CC(C)(C)C1=CC[N@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000354877289 150006900 /nfs/dbraw/zinc/00/69/00/150006900.db2.gz FGHBBLGUMVTXBI-UHFFFAOYSA-N 2 2 337.508 1.892 20 0 EDADLP CC(C)(C)C1=CC[N@@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000354877289 150006903 /nfs/dbraw/zinc/00/69/03/150006903.db2.gz FGHBBLGUMVTXBI-UHFFFAOYSA-N 2 2 337.508 1.892 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354897445 150018117 /nfs/dbraw/zinc/01/81/17/150018117.db2.gz JYXGBLJBCMZSOY-CABCVRRESA-N 2 2 327.469 1.154 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354897445 150018120 /nfs/dbraw/zinc/01/81/20/150018120.db2.gz JYXGBLJBCMZSOY-CABCVRRESA-N 2 2 327.469 1.154 20 0 EDADLP C[C@@H]1CN(C(=O)CNc2cccc(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354979531 150062750 /nfs/dbraw/zinc/06/27/50/150062750.db2.gz SMBPGQOIOZZHDB-OAHLLOKOSA-N 2 2 348.466 1.865 20 0 EDADLP C[C@@H]1CN(C(=O)CNc2cccc(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354979531 150062754 /nfs/dbraw/zinc/06/27/54/150062754.db2.gz SMBPGQOIOZZHDB-OAHLLOKOSA-N 2 2 348.466 1.865 20 0 EDADLP C[C@H]1CN(C(=O)COc2cccc(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354983561 150064700 /nfs/dbraw/zinc/06/47/00/150064700.db2.gz KFUIKDGRSVIELL-HNNXBMFYSA-N 2 2 349.450 1.831 20 0 EDADLP C[C@H]1CN(C(=O)COc2cccc(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354983561 150064702 /nfs/dbraw/zinc/06/47/02/150064702.db2.gz KFUIKDGRSVIELL-HNNXBMFYSA-N 2 2 349.450 1.831 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354988674 150066740 /nfs/dbraw/zinc/06/67/40/150066740.db2.gz ZRFWNDLIZJLXEV-JKSUJKDBSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354988674 150066743 /nfs/dbraw/zinc/06/67/43/150066743.db2.gz ZRFWNDLIZJLXEV-JKSUJKDBSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355057169 150096106 /nfs/dbraw/zinc/09/61/06/150096106.db2.gz RRQBGZFZJCCJCC-HZPDHXFCSA-N 2 2 336.524 1.534 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355057169 150096109 /nfs/dbraw/zinc/09/61/09/150096109.db2.gz RRQBGZFZJCCJCC-HZPDHXFCSA-N 2 2 336.524 1.534 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000355070258 150102947 /nfs/dbraw/zinc/10/29/47/150102947.db2.gz OOXCNEPZSUNNPX-IAGOWNOFSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000355070258 150102950 /nfs/dbraw/zinc/10/29/50/150102950.db2.gz OOXCNEPZSUNNPX-IAGOWNOFSA-N 2 2 336.524 1.345 20 0 EDADLP CCCCO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000357392438 151017039 /nfs/dbraw/zinc/01/70/39/151017039.db2.gz TYWMGFXHOLPGOE-HOTGVXAUSA-N 2 2 325.497 1.676 20 0 EDADLP CCCCO[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000357392438 151017040 /nfs/dbraw/zinc/01/70/40/151017040.db2.gz TYWMGFXHOLPGOE-HOTGVXAUSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000357625751 151089581 /nfs/dbraw/zinc/08/95/81/151089581.db2.gz JMOHYJUZGDEFSW-JKSUJKDBSA-N 2 2 325.497 1.555 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000357625751 151089583 /nfs/dbraw/zinc/08/95/83/151089583.db2.gz JMOHYJUZGDEFSW-JKSUJKDBSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651071 151101424 /nfs/dbraw/zinc/10/14/24/151101424.db2.gz RTZJDMFRMGHXHX-GFCCVEGCSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651071 151101426 /nfs/dbraw/zinc/10/14/26/151101426.db2.gz RTZJDMFRMGHXHX-GFCCVEGCSA-N 2 2 341.402 1.680 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000573808970 306635402 /nfs/dbraw/zinc/63/54/02/306635402.db2.gz UTQAXFJUUQOJFB-UHFFFAOYSA-N 2 2 333.476 1.724 20 0 EDADLP COCC(=O)N1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000358016711 151236443 /nfs/dbraw/zinc/23/64/43/151236443.db2.gz HHPZNYDZCMSQCL-APWZRJJASA-N 2 2 345.487 1.734 20 0 EDADLP COCC(=O)N1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000358016711 151236445 /nfs/dbraw/zinc/23/64/45/151236445.db2.gz HHPZNYDZCMSQCL-APWZRJJASA-N 2 2 345.487 1.734 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000358094984 151268164 /nfs/dbraw/zinc/26/81/64/151268164.db2.gz LMTVYJNPZGGMOM-SJLPKXTDSA-N 2 2 349.523 1.058 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000358094984 151268168 /nfs/dbraw/zinc/26/81/68/151268168.db2.gz LMTVYJNPZGGMOM-SJLPKXTDSA-N 2 2 349.523 1.058 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000358150352 151288700 /nfs/dbraw/zinc/28/87/00/151288700.db2.gz ZXKVMOXLSXRABW-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000358150352 151288697 /nfs/dbraw/zinc/28/86/97/151288697.db2.gz ZXKVMOXLSXRABW-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000358150352 151288702 /nfs/dbraw/zinc/28/87/02/151288702.db2.gz ZXKVMOXLSXRABW-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000358150352 151288704 /nfs/dbraw/zinc/28/87/04/151288704.db2.gz ZXKVMOXLSXRABW-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000358226302 151311599 /nfs/dbraw/zinc/31/15/99/151311599.db2.gz DCDXFICZXSYVCP-KDOFPFPSSA-N 2 2 338.448 1.438 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000358226302 151311602 /nfs/dbraw/zinc/31/16/02/151311602.db2.gz DCDXFICZXSYVCP-KDOFPFPSSA-N 2 2 338.448 1.438 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000358294338 151328385 /nfs/dbraw/zinc/32/83/85/151328385.db2.gz YXFIUHSBURYKIG-WWGRRREGSA-N 2 2 328.453 1.918 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000358294338 151328387 /nfs/dbraw/zinc/32/83/87/151328387.db2.gz YXFIUHSBURYKIG-WWGRRREGSA-N 2 2 328.453 1.918 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000358313157 151333369 /nfs/dbraw/zinc/33/33/69/151333369.db2.gz NGFVTRYBEROIRV-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000358313157 151333372 /nfs/dbraw/zinc/33/33/72/151333372.db2.gz NGFVTRYBEROIRV-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NCC1([NH+]2CCOCC2)CCCC1 ZINC000370063463 155308964 /nfs/dbraw/zinc/30/89/64/155308964.db2.gz BHXDKJZHTSAWIF-UHFFFAOYSA-N 2 2 342.443 1.638 20 0 EDADLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccnn3C)CC2)C[C@H](C)O1 ZINC000358878034 151529602 /nfs/dbraw/zinc/52/96/02/151529602.db2.gz YHQHSJKLESRYKD-HOTGVXAUSA-N 2 2 336.480 1.510 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549608 152091005 /nfs/dbraw/zinc/09/10/05/152091005.db2.gz GMNMMHQESFCROG-KHYOSLBOSA-N 2 2 331.460 1.946 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549608 152091006 /nfs/dbraw/zinc/09/10/06/152091006.db2.gz GMNMMHQESFCROG-KHYOSLBOSA-N 2 2 331.460 1.946 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552695 152092068 /nfs/dbraw/zinc/09/20/68/152092068.db2.gz OTENTJHGIJLRJL-RDTXWAMCSA-N 2 2 330.432 1.086 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360552695 152092071 /nfs/dbraw/zinc/09/20/71/152092071.db2.gz OTENTJHGIJLRJL-RDTXWAMCSA-N 2 2 330.432 1.086 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360560301 152096165 /nfs/dbraw/zinc/09/61/65/152096165.db2.gz FGZFSNISGCRXAJ-LIRRHRJNSA-N 2 2 347.459 1.566 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000360560301 152096167 /nfs/dbraw/zinc/09/61/67/152096167.db2.gz FGZFSNISGCRXAJ-LIRRHRJNSA-N 2 2 347.459 1.566 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000360930218 152255408 /nfs/dbraw/zinc/25/54/08/152255408.db2.gz ZSHORHOFALMWDO-BHIYHBOVSA-N 2 2 343.471 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000360930218 152255411 /nfs/dbraw/zinc/25/54/11/152255411.db2.gz ZSHORHOFALMWDO-BHIYHBOVSA-N 2 2 343.471 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000360930218 152255414 /nfs/dbraw/zinc/25/54/14/152255414.db2.gz ZSHORHOFALMWDO-BHIYHBOVSA-N 2 2 343.471 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000360930218 152255416 /nfs/dbraw/zinc/25/54/16/152255416.db2.gz ZSHORHOFALMWDO-BHIYHBOVSA-N 2 2 343.471 1.728 20 0 EDADLP CCCCOCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000360942433 152259730 /nfs/dbraw/zinc/25/97/30/152259730.db2.gz VCZDFYUCAGLNCT-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CCCCOCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000360942433 152259732 /nfs/dbraw/zinc/25/97/32/152259732.db2.gz VCZDFYUCAGLNCT-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CO[C@](C)(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000361009856 152277257 /nfs/dbraw/zinc/27/72/57/152277257.db2.gz MTJYTNMCFQLDAF-GOSISDBHSA-N 2 2 325.497 1.188 20 0 EDADLP CO[C@](C)(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CC1 ZINC000361009856 152277258 /nfs/dbraw/zinc/27/72/58/152277258.db2.gz MTJYTNMCFQLDAF-GOSISDBHSA-N 2 2 325.497 1.188 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000361356032 152370493 /nfs/dbraw/zinc/37/04/93/152370493.db2.gz OTUVCXGHFANUBA-SFHVURJKSA-N 2 2 330.476 1.585 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000361356032 152370494 /nfs/dbraw/zinc/37/04/94/152370494.db2.gz OTUVCXGHFANUBA-SFHVURJKSA-N 2 2 330.476 1.585 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)CC1 ZINC000361367878 152373635 /nfs/dbraw/zinc/37/36/35/152373635.db2.gz RHJIJFJMBSSVNE-MRXNPFEDSA-N 2 2 349.479 1.004 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCC(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000363431198 152965899 /nfs/dbraw/zinc/96/58/99/152965899.db2.gz OTVWVXQBELXUPF-UHFFFAOYSA-N 2 2 336.402 1.798 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417182860 304381573 /nfs/dbraw/zinc/38/15/73/304381573.db2.gz QVXXUCGDPQSQCZ-RDJZCZTQSA-N 2 2 334.464 1.275 20 0 EDADLP COCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)n1 ZINC000363650884 153023398 /nfs/dbraw/zinc/02/33/98/153023398.db2.gz JHBTTZISUQFCCA-TZMCWYRMSA-N 2 2 346.435 1.942 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000363913693 153093805 /nfs/dbraw/zinc/09/38/05/153093805.db2.gz KMIGCIPXSRHULC-JKSUJKDBSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000363913693 153093809 /nfs/dbraw/zinc/09/38/09/153093809.db2.gz KMIGCIPXSRHULC-JKSUJKDBSA-N 2 2 329.448 1.540 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000364072209 153138738 /nfs/dbraw/zinc/13/87/38/153138738.db2.gz ZJRONFMQWJXWSO-HNNXBMFYSA-N 2 2 344.484 1.994 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)C1 ZINC000364227080 153180348 /nfs/dbraw/zinc/18/03/48/153180348.db2.gz BEXDONRWHJNVFM-GOSISDBHSA-N 2 2 340.475 1.479 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)C1 ZINC000364227080 153180349 /nfs/dbraw/zinc/18/03/49/153180349.db2.gz BEXDONRWHJNVFM-GOSISDBHSA-N 2 2 340.475 1.479 20 0 EDADLP CC1CC[NH+](CCCNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000364264778 153191411 /nfs/dbraw/zinc/19/14/11/153191411.db2.gz FVBRLJVUJVMIPM-SFHVURJKSA-N 2 2 337.508 1.726 20 0 EDADLP CC1CC[NH+](CCCNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000364264778 153191413 /nfs/dbraw/zinc/19/14/13/153191413.db2.gz FVBRLJVUJVMIPM-SFHVURJKSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364428541 153235103 /nfs/dbraw/zinc/23/51/03/153235103.db2.gz USNUCPQODXIGAM-VYDXJSESSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364428541 153235106 /nfs/dbraw/zinc/23/51/06/153235106.db2.gz USNUCPQODXIGAM-VYDXJSESSA-N 2 2 328.460 1.897 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C2)c1 ZINC000364530218 153260799 /nfs/dbraw/zinc/26/07/99/153260799.db2.gz XIFGOHHOTWUPQF-CQSZACIVSA-N 2 2 338.415 1.660 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C2)c1 ZINC000364530218 153260803 /nfs/dbraw/zinc/26/08/03/153260803.db2.gz XIFGOHHOTWUPQF-CQSZACIVSA-N 2 2 338.415 1.660 20 0 EDADLP Cc1cccn2c(C[NH2+]C[C@H]3CCn4ncc(C(N)=O)c4C3)c[nH+]c12 ZINC000364668480 153298400 /nfs/dbraw/zinc/29/84/00/153298400.db2.gz ANZVSEFETGDLGC-ZDUSSCGKSA-N 2 2 338.415 1.290 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H]2CNC(=O)O2)[C@@H]1c1cnn(C)c1 ZINC000364709708 153310803 /nfs/dbraw/zinc/31/08/03/153310803.db2.gz WIADOKFPUJQXRK-NUEKZKHPSA-N 2 2 335.452 1.233 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H]2CNC(=O)O2)[C@@H]1c1cnn(C)c1 ZINC000364709708 153310806 /nfs/dbraw/zinc/31/08/06/153310806.db2.gz WIADOKFPUJQXRK-NUEKZKHPSA-N 2 2 335.452 1.233 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H]2CNC(=O)O2)[C@@H]1c1cnn(C)c1 ZINC000364709708 153310809 /nfs/dbraw/zinc/31/08/09/153310809.db2.gz WIADOKFPUJQXRK-NUEKZKHPSA-N 2 2 335.452 1.233 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H]2CNC(=O)O2)[C@@H]1c1cnn(C)c1 ZINC000364709708 153310813 /nfs/dbraw/zinc/31/08/13/153310813.db2.gz WIADOKFPUJQXRK-NUEKZKHPSA-N 2 2 335.452 1.233 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)cn21 ZINC000364736297 153319103 /nfs/dbraw/zinc/31/91/03/153319103.db2.gz PTLSHQUYYQFPRB-IDHHARJASA-N 2 2 342.443 1.791 20 0 EDADLP Cc1[nH+]c(CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c2n1CCCC2 ZINC000364813198 153341024 /nfs/dbraw/zinc/34/10/24/153341024.db2.gz IPSYNJMPLLFHNT-CQSZACIVSA-N 2 2 349.479 1.390 20 0 EDADLP COc1ccccc1[C@H](NC(=O)/C=C/C[NH+](C)C)c1[nH+]ccn1C ZINC000364822475 153342998 /nfs/dbraw/zinc/34/29/98/153342998.db2.gz XKTRWVQVUOGWED-JEJOPICUSA-N 2 2 328.416 1.752 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417226677 304385917 /nfs/dbraw/zinc/38/59/17/304385917.db2.gz UJZPPACLDJAGSK-SECBINFHSA-N 2 2 340.225 1.585 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000367128466 154016718 /nfs/dbraw/zinc/01/67/18/154016718.db2.gz BFUKIQZYNRXZCP-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+]2CCCC[C@H]2CO1 ZINC000367128466 154016720 /nfs/dbraw/zinc/01/67/20/154016720.db2.gz BFUKIQZYNRXZCP-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367128466 154016721 /nfs/dbraw/zinc/01/67/21/154016721.db2.gz BFUKIQZYNRXZCP-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367128466 154016723 /nfs/dbraw/zinc/01/67/23/154016723.db2.gz BFUKIQZYNRXZCP-BBWFWOEESA-N 2 2 338.496 1.221 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000367301111 154070994 /nfs/dbraw/zinc/07/09/94/154070994.db2.gz XPIBQAGWOUYXAH-IRXDYDNUSA-N 2 2 339.480 1.334 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000367301111 154070995 /nfs/dbraw/zinc/07/09/95/154070995.db2.gz XPIBQAGWOUYXAH-IRXDYDNUSA-N 2 2 339.480 1.334 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]12CCOC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000367460092 154131141 /nfs/dbraw/zinc/13/11/41/154131141.db2.gz YGBADECECCEAFV-SFHVURJKSA-N 2 2 333.432 1.179 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]12CCOC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000367460092 154131145 /nfs/dbraw/zinc/13/11/45/154131145.db2.gz YGBADECECCEAFV-SFHVURJKSA-N 2 2 333.432 1.179 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc(C)c1O ZINC000368032482 154375412 /nfs/dbraw/zinc/37/54/12/154375412.db2.gz ZILKUTKJLRXPDU-PKOBYXMFSA-N 2 2 347.503 1.846 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc(C)c1O ZINC000368032482 154375413 /nfs/dbraw/zinc/37/54/13/154375413.db2.gz ZILKUTKJLRXPDU-PKOBYXMFSA-N 2 2 347.503 1.846 20 0 EDADLP Cc1cc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cc(C)c1O ZINC000368032482 154375415 /nfs/dbraw/zinc/37/54/15/154375415.db2.gz ZILKUTKJLRXPDU-PKOBYXMFSA-N 2 2 347.503 1.846 20 0 EDADLP Cc1cc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cc(C)c1O ZINC000368032482 154375417 /nfs/dbraw/zinc/37/54/17/154375417.db2.gz ZILKUTKJLRXPDU-PKOBYXMFSA-N 2 2 347.503 1.846 20 0 EDADLP Cc1[nH+]c(CNC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c2n1CCCC2 ZINC000368039628 154380588 /nfs/dbraw/zinc/38/05/88/154380588.db2.gz GWOVIMHQGJRKPD-HNNXBMFYSA-N 2 2 347.463 1.190 20 0 EDADLP Cc1[nH+]c(CNC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c2n1CCCC2 ZINC000368039628 154380590 /nfs/dbraw/zinc/38/05/90/154380590.db2.gz GWOVIMHQGJRKPD-HNNXBMFYSA-N 2 2 347.463 1.190 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000368281860 154488334 /nfs/dbraw/zinc/48/83/34/154488334.db2.gz OZHODDBIVUAMOU-JKSUJKDBSA-N 2 2 337.464 1.147 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000369447508 155038783 /nfs/dbraw/zinc/03/87/83/155038783.db2.gz JPWRVROELJONAQ-GOEBONIOSA-N 2 2 342.447 1.525 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000369447508 155038786 /nfs/dbraw/zinc/03/87/86/155038786.db2.gz JPWRVROELJONAQ-GOEBONIOSA-N 2 2 342.447 1.525 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601178 155105479 /nfs/dbraw/zinc/10/54/79/155105479.db2.gz YABVXEDTVNTUTH-DJIMGWMZSA-N 2 2 348.491 1.561 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601178 155105482 /nfs/dbraw/zinc/10/54/82/155105482.db2.gz YABVXEDTVNTUTH-DJIMGWMZSA-N 2 2 348.491 1.561 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601178 155105485 /nfs/dbraw/zinc/10/54/85/155105485.db2.gz YABVXEDTVNTUTH-DJIMGWMZSA-N 2 2 348.491 1.561 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)NC(=O)NC1CCCCC1 ZINC000369601178 155105488 /nfs/dbraw/zinc/10/54/88/155105488.db2.gz YABVXEDTVNTUTH-DJIMGWMZSA-N 2 2 348.491 1.561 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000574881457 306658873 /nfs/dbraw/zinc/65/88/73/306658873.db2.gz VMMGHHLJYJDPLV-AEFFLSMTSA-N 3 2 341.459 1.060 20 0 EDADLP Cc1cccc(OCC[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371557600 156002452 /nfs/dbraw/zinc/00/24/52/156002452.db2.gz XHEOHBGKJWROIP-IBGZPJMESA-N 2 2 333.476 1.322 20 0 EDADLP Cc1cccc(OCC[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371557600 156002457 /nfs/dbraw/zinc/00/24/57/156002457.db2.gz XHEOHBGKJWROIP-IBGZPJMESA-N 2 2 333.476 1.322 20 0 EDADLP CC[N@H+](CC(=O)N1CCC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000372148153 156243807 /nfs/dbraw/zinc/24/38/07/156243807.db2.gz CIHYBHSRDDGRAF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000372148153 156243809 /nfs/dbraw/zinc/24/38/09/156243809.db2.gz CIHYBHSRDDGRAF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP CC[NH+](CC(=O)N1CCC[N@H+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000372148153 156243812 /nfs/dbraw/zinc/24/38/12/156243812.db2.gz CIHYBHSRDDGRAF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000372148153 156243815 /nfs/dbraw/zinc/24/38/15/156243815.db2.gz CIHYBHSRDDGRAF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2c[nH]nc2c1 ZINC000372416803 156379422 /nfs/dbraw/zinc/37/94/22/156379422.db2.gz RFSYMEGWMWZUSE-YJBOKZPZSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2c[nH]nc2c1 ZINC000372416803 156379424 /nfs/dbraw/zinc/37/94/24/156379424.db2.gz RFSYMEGWMWZUSE-YJBOKZPZSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000372416803 156379426 /nfs/dbraw/zinc/37/94/26/156379426.db2.gz RFSYMEGWMWZUSE-YJBOKZPZSA-N 2 2 343.475 1.400 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000372416803 156379427 /nfs/dbraw/zinc/37/94/27/156379427.db2.gz RFSYMEGWMWZUSE-YJBOKZPZSA-N 2 2 343.475 1.400 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C2 ZINC000374249874 157213749 /nfs/dbraw/zinc/21/37/49/157213749.db2.gz QJRZAZJJBCIYQS-UHFFFAOYSA-N 2 2 348.495 1.051 20 0 EDADLP Cc1nn2c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c(C)nc2s1 ZINC000374319510 157241201 /nfs/dbraw/zinc/24/12/01/157241201.db2.gz ZFXYVKHYDCLNCK-UHFFFAOYSA-N 2 2 349.504 1.952 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374323884 157242719 /nfs/dbraw/zinc/24/27/19/157242719.db2.gz KGFFEQWMKQNTSJ-FUHWJXTLSA-N 2 2 348.491 1.196 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000374388291 157272045 /nfs/dbraw/zinc/27/20/45/157272045.db2.gz QOKMLBNRJVATHO-MRXNPFEDSA-N 2 2 327.432 1.965 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374422047 157285379 /nfs/dbraw/zinc/28/53/79/157285379.db2.gz QPVYOARUYKZVLY-GVDBMIGSSA-N 2 2 325.497 1.866 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374422047 157285381 /nfs/dbraw/zinc/28/53/81/157285381.db2.gz QPVYOARUYKZVLY-GVDBMIGSSA-N 2 2 325.497 1.866 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)S1 ZINC000377927046 158030425 /nfs/dbraw/zinc/03/04/25/158030425.db2.gz ODYPWSXXERGQHD-CYBMUJFWSA-N 2 2 347.488 1.786 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377970940 158043087 /nfs/dbraw/zinc/04/30/87/158043087.db2.gz QYSCIZXDFRLLEJ-GOSISDBHSA-N 2 2 343.487 1.768 20 0 EDADLP Cc1cnn([C@@H]2CCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)c1 ZINC000378114442 158081731 /nfs/dbraw/zinc/08/17/31/158081731.db2.gz ZKLJZQVNHNZWDH-QGZVFWFLSA-N 2 2 348.495 1.174 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000378255096 158122933 /nfs/dbraw/zinc/12/29/33/158122933.db2.gz LLJFKFHZJMRFFG-INIZCTEOSA-N 2 2 331.464 1.644 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000378515903 158197952 /nfs/dbraw/zinc/19/79/52/158197952.db2.gz HIIFPELWASPGLP-AWEZNQCLSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc(=O)[nH]1 ZINC000378515903 158197956 /nfs/dbraw/zinc/19/79/56/158197956.db2.gz HIIFPELWASPGLP-AWEZNQCLSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000408448039 158364345 /nfs/dbraw/zinc/36/43/45/158364345.db2.gz NGFRDQJQIUYEEF-HNNXBMFYSA-N 2 2 330.432 1.724 20 0 EDADLP C[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+]1CCCCCC1 ZINC000074198493 286777789 /nfs/dbraw/zinc/77/77/89/286777789.db2.gz ZKVTWXYTZBSZEJ-INIZCTEOSA-N 2 2 346.475 1.799 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352434713 162180107 /nfs/dbraw/zinc/18/01/07/162180107.db2.gz ZTJVVTWUIJFUMP-GUDVDZBRSA-N 2 2 343.471 1.298 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352434713 162180110 /nfs/dbraw/zinc/18/01/10/162180110.db2.gz ZTJVVTWUIJFUMP-GUDVDZBRSA-N 2 2 343.471 1.298 20 0 EDADLP O=S1(=O)CC[C@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000352449147 162187367 /nfs/dbraw/zinc/18/73/67/162187367.db2.gz XNBIDNKWHQKJLN-GUDVDZBRSA-N 2 2 348.512 1.875 20 0 EDADLP O=S1(=O)CC[C@H](C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000352449147 162187369 /nfs/dbraw/zinc/18/73/69/162187369.db2.gz XNBIDNKWHQKJLN-GUDVDZBRSA-N 2 2 348.512 1.875 20 0 EDADLP O=S1(=O)CC[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000352449147 162187371 /nfs/dbraw/zinc/18/73/71/162187371.db2.gz XNBIDNKWHQKJLN-GUDVDZBRSA-N 2 2 348.512 1.875 20 0 EDADLP O=S1(=O)CC[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000352449147 162187375 /nfs/dbraw/zinc/18/73/75/162187375.db2.gz XNBIDNKWHQKJLN-GUDVDZBRSA-N 2 2 348.512 1.875 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C[C@@H]1CCC[NH+](C)C1 ZINC000355734551 162273874 /nfs/dbraw/zinc/27/38/74/162273874.db2.gz MYTMLLJDPMLLTQ-NVXWUHKLSA-N 2 2 331.460 1.380 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C[C@@H]1CCC[NH+](C)C1 ZINC000355734551 162273877 /nfs/dbraw/zinc/27/38/77/162273877.db2.gz MYTMLLJDPMLLTQ-NVXWUHKLSA-N 2 2 331.460 1.380 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1Cc2ccccc2O1)C[C@@H]1CCC[N@H+](C)C1 ZINC000355734551 162273879 /nfs/dbraw/zinc/27/38/79/162273879.db2.gz MYTMLLJDPMLLTQ-NVXWUHKLSA-N 2 2 331.460 1.380 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1Cc2ccccc2O1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355734551 162273884 /nfs/dbraw/zinc/27/38/84/162273884.db2.gz MYTMLLJDPMLLTQ-NVXWUHKLSA-N 2 2 331.460 1.380 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333742170 287294660 /nfs/dbraw/zinc/29/46/60/287294660.db2.gz XTLGUZOOPGWZBT-VKJFTORMSA-N 2 2 336.480 1.466 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333742170 287294662 /nfs/dbraw/zinc/29/46/62/287294662.db2.gz XTLGUZOOPGWZBT-VKJFTORMSA-N 2 2 336.480 1.466 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000159335948 225197620 /nfs/dbraw/zinc/19/76/20/225197620.db2.gz CGRJTXUHQXRYOV-ICSRJNTNSA-N 3 2 330.520 1.877 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159335948 225197624 /nfs/dbraw/zinc/19/76/24/225197624.db2.gz CGRJTXUHQXRYOV-ICSRJNTNSA-N 3 2 330.520 1.877 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000163991952 226036002 /nfs/dbraw/zinc/03/60/02/226036002.db2.gz XHQFAALMBQXTNX-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123253216 222244003 /nfs/dbraw/zinc/24/40/03/222244003.db2.gz PYWNGFDTFPQJLZ-QAPCUYQASA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123253216 222244004 /nfs/dbraw/zinc/24/40/04/222244004.db2.gz PYWNGFDTFPQJLZ-QAPCUYQASA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123253216 222244008 /nfs/dbraw/zinc/24/40/08/222244008.db2.gz PYWNGFDTFPQJLZ-QAPCUYQASA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123253216 222244011 /nfs/dbraw/zinc/24/40/11/222244011.db2.gz PYWNGFDTFPQJLZ-QAPCUYQASA-N 2 2 333.476 1.864 20 0 EDADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000123594433 222302177 /nfs/dbraw/zinc/30/21/77/222302177.db2.gz VKQVNTOFESHLOQ-QGZVFWFLSA-N 2 2 349.410 1.123 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C)C[NH3+] ZINC000418464963 304498521 /nfs/dbraw/zinc/49/85/21/304498521.db2.gz FVXRNRPDJMOFQK-HNNXBMFYSA-N 2 2 333.480 1.924 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418465508 304498867 /nfs/dbraw/zinc/49/88/67/304498867.db2.gz NHZGSQZLABHOPN-LSDHHAIUSA-N 2 2 349.479 1.828 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000418477708 304500227 /nfs/dbraw/zinc/50/02/27/304500227.db2.gz VUXLVTQQHJAWEI-OAHLLOKOSA-N 2 2 334.464 1.507 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC[C@H](C)C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000418478329 304500272 /nfs/dbraw/zinc/50/02/72/304500272.db2.gz WVIQIPCVSMHMRX-CYBMUJFWSA-N 2 2 334.468 1.335 20 0 EDADLP c1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c2c(c1)OCCO2 ZINC000194236176 273001529 /nfs/dbraw/zinc/00/15/29/273001529.db2.gz GQMFDVXPCVNUMT-UHFFFAOYSA-N 2 2 331.460 1.671 20 0 EDADLP CN1c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)cc2CCC1=O ZINC000274764242 268200543 /nfs/dbraw/zinc/20/05/43/268200543.db2.gz HLEHAHWHUAAWMV-QGZVFWFLSA-N 2 2 344.459 1.025 20 0 EDADLP CN1c2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)cc2CCC1=O ZINC000274764242 268200544 /nfs/dbraw/zinc/20/05/44/268200544.db2.gz HLEHAHWHUAAWMV-QGZVFWFLSA-N 2 2 344.459 1.025 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)C[C@H]3CC[NH+](C)C3)c2cc1C ZINC000275401643 268337414 /nfs/dbraw/zinc/33/74/14/268337414.db2.gz BHZGYNJRRYAGFO-IRXDYDNUSA-N 3 2 330.476 1.898 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)C[C@H]3CC[NH+](C)C3)c2cc1C ZINC000275401643 268337416 /nfs/dbraw/zinc/33/74/16/268337416.db2.gz BHZGYNJRRYAGFO-IRXDYDNUSA-N 3 2 330.476 1.898 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+](C)C[C@H]3CC[N@H+](C)C3)c2cc1C ZINC000275401643 268337418 /nfs/dbraw/zinc/33/74/18/268337418.db2.gz BHZGYNJRRYAGFO-IRXDYDNUSA-N 3 2 330.476 1.898 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+](C)C[C@H]3CC[N@@H+](C)C3)c2cc1C ZINC000275401643 268337419 /nfs/dbraw/zinc/33/74/19/268337419.db2.gz BHZGYNJRRYAGFO-IRXDYDNUSA-N 3 2 330.476 1.898 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000654499908 452575418 /nfs/dbraw/zinc/57/54/18/452575418.db2.gz XSBMLQVWRUOZTH-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000654499908 452575431 /nfs/dbraw/zinc/57/54/31/452575431.db2.gz XSBMLQVWRUOZTH-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275615707 273113702 /nfs/dbraw/zinc/11/37/02/273113702.db2.gz MAPPKOMYOPVXQE-CQSZACIVSA-N 2 2 343.431 1.131 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276140016 273152008 /nfs/dbraw/zinc/15/20/08/273152008.db2.gz YXKMXSDGFJWSQI-CABCVRRESA-N 2 2 333.480 1.676 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276140016 273152009 /nfs/dbraw/zinc/15/20/09/273152009.db2.gz YXKMXSDGFJWSQI-CABCVRRESA-N 2 2 333.480 1.676 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)CCCO1 ZINC000277366157 273193405 /nfs/dbraw/zinc/19/34/05/273193405.db2.gz ISCSIHOXQYWWRG-HNNXBMFYSA-N 2 2 345.447 1.634 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)CCCO1 ZINC000277366157 273193406 /nfs/dbraw/zinc/19/34/06/273193406.db2.gz ISCSIHOXQYWWRG-HNNXBMFYSA-N 2 2 345.447 1.634 20 0 EDADLP C[NH+]1CCN(c2ccnc(-c3noc(Cn4cc[nH+]c4)n3)c2)CC1 ZINC000277760238 273224248 /nfs/dbraw/zinc/22/42/48/273224248.db2.gz CZSQUIMPKRQOJU-UHFFFAOYSA-N 2 2 325.376 1.128 20 0 EDADLP Cc1nc(F)ccc1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279847346 273333284 /nfs/dbraw/zinc/33/32/84/273333284.db2.gz HXMSJOGIXAYMSK-GJZGRUSLSA-N 2 2 335.402 1.965 20 0 EDADLP CC(C)n1nccc1C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000280071902 273342669 /nfs/dbraw/zinc/34/26/69/273342669.db2.gz XTEBJLJULUZOAW-IBGZPJMESA-N 2 2 328.460 1.973 20 0 EDADLP CC(C)n1nccc1C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000280071902 273342671 /nfs/dbraw/zinc/34/26/71/273342671.db2.gz XTEBJLJULUZOAW-IBGZPJMESA-N 2 2 328.460 1.973 20 0 EDADLP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000280771719 273396443 /nfs/dbraw/zinc/39/64/43/273396443.db2.gz FDUQSQNXUVCIPR-GOSISDBHSA-N 2 2 341.459 1.610 20 0 EDADLP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000280771719 273396445 /nfs/dbraw/zinc/39/64/45/273396445.db2.gz FDUQSQNXUVCIPR-GOSISDBHSA-N 2 2 341.459 1.610 20 0 EDADLP C[C@H](O)C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)CO ZINC000283915902 274009664 /nfs/dbraw/zinc/00/96/64/274009664.db2.gz CBGXMGFEHDMQLU-LNLFQRSKSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](O)C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H](C)CO ZINC000283915902 274009665 /nfs/dbraw/zinc/00/96/65/274009665.db2.gz CBGXMGFEHDMQLU-LNLFQRSKSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](O)C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](C)CO ZINC000283915902 274009666 /nfs/dbraw/zinc/00/96/66/274009666.db2.gz CBGXMGFEHDMQLU-LNLFQRSKSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@H](O)C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](C)CO ZINC000283915902 274009667 /nfs/dbraw/zinc/00/96/67/274009667.db2.gz CBGXMGFEHDMQLU-LNLFQRSKSA-N 2 2 336.476 1.341 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000284063593 274066416 /nfs/dbraw/zinc/06/64/16/274066416.db2.gz QCOFABJMHCRZSU-GOEBONIOSA-N 2 2 343.431 1.175 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000284063593 274066417 /nfs/dbraw/zinc/06/64/17/274066417.db2.gz QCOFABJMHCRZSU-GOEBONIOSA-N 2 2 343.431 1.175 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000284063597 274066422 /nfs/dbraw/zinc/06/64/22/274066422.db2.gz QCOFABJMHCRZSU-HOCLYGCPSA-N 2 2 343.431 1.175 20 0 EDADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000284063597 274066423 /nfs/dbraw/zinc/06/64/23/274066423.db2.gz QCOFABJMHCRZSU-HOCLYGCPSA-N 2 2 343.431 1.175 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000284273789 274142368 /nfs/dbraw/zinc/14/23/68/274142368.db2.gz MXRAMBDIAVMDBT-YTQUADARSA-N 2 2 344.503 1.574 20 0 EDADLP O[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284515587 274230626 /nfs/dbraw/zinc/23/06/26/274230626.db2.gz DOFJMMVSYDIPMG-BRWVUGGUSA-N 2 2 328.416 1.629 20 0 EDADLP O[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284515587 274230629 /nfs/dbraw/zinc/23/06/29/274230629.db2.gz DOFJMMVSYDIPMG-BRWVUGGUSA-N 2 2 328.416 1.629 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284527116 274234298 /nfs/dbraw/zinc/23/42/98/274234298.db2.gz OVEUIUWIDRUOON-AEFFLSMTSA-N 2 2 347.459 1.172 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284527116 274234299 /nfs/dbraw/zinc/23/42/99/274234299.db2.gz OVEUIUWIDRUOON-AEFFLSMTSA-N 2 2 347.459 1.172 20 0 EDADLP CN(c1ccccc1C[N@@H+]1C[C@H](F)C[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000284671002 274287758 /nfs/dbraw/zinc/28/77/58/274287758.db2.gz OMUQKNQVFXOETQ-QAPCUYQASA-N 2 2 348.466 1.615 20 0 EDADLP CN(c1ccccc1C[N@H+]1C[C@H](F)C[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000284671002 274287759 /nfs/dbraw/zinc/28/77/59/274287759.db2.gz OMUQKNQVFXOETQ-QAPCUYQASA-N 2 2 348.466 1.615 20 0 EDADLP CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000285388565 274525913 /nfs/dbraw/zinc/52/59/13/274525913.db2.gz DINCWYXIWCAKLD-DZGCQCFKSA-N 2 2 336.461 1.532 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333551080 274988292 /nfs/dbraw/zinc/98/82/92/274988292.db2.gz KGDDUMCKWTXDAS-ARFHVFGLSA-N 2 2 331.464 1.762 20 0 EDADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000362564188 275011271 /nfs/dbraw/zinc/01/12/71/275011271.db2.gz IKOZXONMHMUQOK-AWEZNQCLSA-N 2 2 331.464 1.577 20 0 EDADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000362564188 275011272 /nfs/dbraw/zinc/01/12/72/275011272.db2.gz IKOZXONMHMUQOK-AWEZNQCLSA-N 2 2 331.464 1.577 20 0 EDADLP c1cn([C@H]2COC[C@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000344460001 275072998 /nfs/dbraw/zinc/07/29/98/275072998.db2.gz BSRKZFUXYOVHIB-MOPGFXCFSA-N 2 2 341.459 1.515 20 0 EDADLP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422712117 275516996 /nfs/dbraw/zinc/51/69/96/275516996.db2.gz GKCIGFOFUQGFMW-ZIAGYGMSSA-N 2 2 325.478 1.733 20 0 EDADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nnnn1C ZINC000189482522 276121438 /nfs/dbraw/zinc/12/14/38/276121438.db2.gz QQRAQFIPFHGIRP-AWEZNQCLSA-N 2 2 329.452 1.905 20 0 EDADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1nnnn1C ZINC000189482522 276121439 /nfs/dbraw/zinc/12/14/39/276121439.db2.gz QQRAQFIPFHGIRP-AWEZNQCLSA-N 2 2 329.452 1.905 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000370426440 276309736 /nfs/dbraw/zinc/30/97/36/276309736.db2.gz XWDKSCDROOWPPL-ROUUACIJSA-N 2 2 331.460 1.613 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000370426440 276309738 /nfs/dbraw/zinc/30/97/38/276309738.db2.gz XWDKSCDROOWPPL-ROUUACIJSA-N 2 2 331.460 1.613 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@@H]1CC ZINC000342765395 276320378 /nfs/dbraw/zinc/32/03/78/276320378.db2.gz NTZGOFVXWNEYDO-UONOGXRCSA-N 2 2 333.423 1.191 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@@H]1CC ZINC000342765395 276320379 /nfs/dbraw/zinc/32/03/79/276320379.db2.gz NTZGOFVXWNEYDO-UONOGXRCSA-N 2 2 333.423 1.191 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]Cc2cscn2)cc[nH+]1 ZINC000354935853 276904491 /nfs/dbraw/zinc/90/44/91/276904491.db2.gz SGVKFLQYAXOIRU-YPMHNXCESA-N 2 2 336.440 1.706 20 0 EDADLP OC1CCC([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000286096026 287934204 /nfs/dbraw/zinc/93/42/04/287934204.db2.gz MYEIZQIJXWPOGZ-UHFFFAOYSA-N 2 2 334.460 1.791 20 0 EDADLP COCCC[N@@H+]1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000363558963 277207443 /nfs/dbraw/zinc/20/74/43/277207443.db2.gz XETDHOOQMWHXNY-UHFFFAOYSA-N 2 2 349.479 1.637 20 0 EDADLP COCCC[N@H+]1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000363558963 277207445 /nfs/dbraw/zinc/20/74/45/277207445.db2.gz XETDHOOQMWHXNY-UHFFFAOYSA-N 2 2 349.479 1.637 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341576074 279125194 /nfs/dbraw/zinc/12/51/94/279125194.db2.gz YMHRDYLZLOFSHP-OAGGEKHMSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341576074 279125196 /nfs/dbraw/zinc/12/51/96/279125196.db2.gz YMHRDYLZLOFSHP-OAGGEKHMSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422910988 279264408 /nfs/dbraw/zinc/26/44/08/279264408.db2.gz JTGOPDJSVRJXSS-KPFFTGBYSA-N 3 2 345.487 1.943 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000354264426 279341211 /nfs/dbraw/zinc/34/12/11/279341211.db2.gz JSQCXHIMCVORQY-XHSDSOJGSA-N 2 2 348.495 1.527 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000354264426 279341213 /nfs/dbraw/zinc/34/12/13/279341213.db2.gz JSQCXHIMCVORQY-XHSDSOJGSA-N 2 2 348.495 1.527 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000365460254 279374530 /nfs/dbraw/zinc/37/45/30/279374530.db2.gz ROUDBYFIMVEQNR-WFASDCNBSA-N 2 2 333.461 1.974 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000365460254 279374532 /nfs/dbraw/zinc/37/45/32/279374532.db2.gz ROUDBYFIMVEQNR-WFASDCNBSA-N 2 2 333.461 1.974 20 0 EDADLP Cc1c[nH]nc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000368222715 280281686 /nfs/dbraw/zinc/28/16/86/280281686.db2.gz IJXVEKVLHHKRQW-KBPBESRZSA-N 2 2 347.442 1.623 20 0 EDADLP Cc1c[nH]nc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000368222715 280281687 /nfs/dbraw/zinc/28/16/87/280281687.db2.gz IJXVEKVLHHKRQW-KBPBESRZSA-N 2 2 347.442 1.623 20 0 EDADLP Cc1cn[nH]c1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000368222715 280281688 /nfs/dbraw/zinc/28/16/88/280281688.db2.gz IJXVEKVLHHKRQW-KBPBESRZSA-N 2 2 347.442 1.623 20 0 EDADLP Cc1cn[nH]c1C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000368222715 280281689 /nfs/dbraw/zinc/28/16/89/280281689.db2.gz IJXVEKVLHHKRQW-KBPBESRZSA-N 2 2 347.442 1.623 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH+]1CCOCC1 ZINC000333111593 280378351 /nfs/dbraw/zinc/37/83/51/280378351.db2.gz XRZFBGNBFBGWMH-OWCLPIDISA-N 2 2 332.448 1.015 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000287668812 288290168 /nfs/dbraw/zinc/29/01/68/288290168.db2.gz CTPZSARXZPJSNR-JSGCOSHPSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000287668812 288290169 /nfs/dbraw/zinc/29/01/69/288290169.db2.gz CTPZSARXZPJSNR-JSGCOSHPSA-N 2 2 333.436 1.062 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)cs1 ZINC000288041060 288388617 /nfs/dbraw/zinc/38/86/17/288388617.db2.gz OLQDHXWQHDKRDY-ZDUSSCGKSA-N 2 2 339.509 1.619 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000290499132 288907794 /nfs/dbraw/zinc/90/77/94/288907794.db2.gz VPERISYKKXQCMK-OAGGEKHMSA-N 2 2 349.479 1.139 20 0 EDADLP CCCc1nc(C)c(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000291784126 289179503 /nfs/dbraw/zinc/17/95/03/289179503.db2.gz VGYLKJQNUCNAKD-UHFFFAOYSA-N 2 2 344.463 1.767 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292039128 289246253 /nfs/dbraw/zinc/24/62/53/289246253.db2.gz AHYNTIBEJGLYNX-HXUWFJFHSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292039128 289246256 /nfs/dbraw/zinc/24/62/56/289246256.db2.gz AHYNTIBEJGLYNX-HXUWFJFHSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292039128 289246260 /nfs/dbraw/zinc/24/62/60/289246260.db2.gz AHYNTIBEJGLYNX-HXUWFJFHSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292039128 289246261 /nfs/dbraw/zinc/24/62/61/289246261.db2.gz AHYNTIBEJGLYNX-HXUWFJFHSA-N 2 2 345.487 1.826 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292129827 289268427 /nfs/dbraw/zinc/26/84/27/289268427.db2.gz LCHOWWZBZVCXSF-KDOFPFPSSA-N 2 2 330.432 1.751 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292129827 289268429 /nfs/dbraw/zinc/26/84/29/289268429.db2.gz LCHOWWZBZVCXSF-KDOFPFPSSA-N 2 2 330.432 1.751 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292129827 289268432 /nfs/dbraw/zinc/26/84/32/289268432.db2.gz LCHOWWZBZVCXSF-KDOFPFPSSA-N 2 2 330.432 1.751 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292129827 289268433 /nfs/dbraw/zinc/26/84/33/289268433.db2.gz LCHOWWZBZVCXSF-KDOFPFPSSA-N 2 2 330.432 1.751 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292251165 289298265 /nfs/dbraw/zinc/29/82/65/289298265.db2.gz XQNLBZWRYIVAFA-FQEVSTJZSA-N 2 2 345.487 1.942 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292251165 289298269 /nfs/dbraw/zinc/29/82/69/289298269.db2.gz XQNLBZWRYIVAFA-FQEVSTJZSA-N 2 2 345.487 1.942 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292251165 289298271 /nfs/dbraw/zinc/29/82/71/289298271.db2.gz XQNLBZWRYIVAFA-FQEVSTJZSA-N 2 2 345.487 1.942 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292251165 289298273 /nfs/dbraw/zinc/29/82/73/289298273.db2.gz XQNLBZWRYIVAFA-FQEVSTJZSA-N 2 2 345.487 1.942 20 0 EDADLP CO[C@H](C)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000341092352 294232001 /nfs/dbraw/zinc/23/20/01/294232001.db2.gz UDFJOPBTZZDBRM-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319243 453036421 /nfs/dbraw/zinc/03/64/21/453036421.db2.gz LGFUPGSZPXRYJH-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319243 453036424 /nfs/dbraw/zinc/03/64/24/453036424.db2.gz LGFUPGSZPXRYJH-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000360559608 295120109 /nfs/dbraw/zinc/12/01/09/295120109.db2.gz CFDPBAYRCBSJNN-IBGZPJMESA-N 2 2 347.459 1.048 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000360559608 295120110 /nfs/dbraw/zinc/12/01/10/295120110.db2.gz CFDPBAYRCBSJNN-IBGZPJMESA-N 2 2 347.459 1.048 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418575179 304514437 /nfs/dbraw/zinc/51/44/37/304514437.db2.gz MUKSCBISWRSWSA-PBHICJAKSA-N 2 2 334.439 1.651 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000664411311 453074102 /nfs/dbraw/zinc/07/41/02/453074102.db2.gz HJCRHLIZGBFXOW-MRXNPFEDSA-N 2 2 342.528 1.764 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000664411311 453074111 /nfs/dbraw/zinc/07/41/11/453074111.db2.gz HJCRHLIZGBFXOW-MRXNPFEDSA-N 2 2 342.528 1.764 20 0 EDADLP Cc1cc(C)c(CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)c[nH+]1 ZINC000418885117 304544533 /nfs/dbraw/zinc/54/45/33/304544533.db2.gz HIJBLKAJQMDFOO-UHFFFAOYSA-N 2 2 344.459 1.305 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](CO)C(C)C)CC2)CC1 ZINC000422015014 447309461 /nfs/dbraw/zinc/30/94/61/447309461.db2.gz GIUQOSMCKKSNCP-QGZVFWFLSA-N 2 2 325.497 1.270 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](CO)C(C)C)CC2)CC1 ZINC000422015014 447309462 /nfs/dbraw/zinc/30/94/62/447309462.db2.gz GIUQOSMCKKSNCP-QGZVFWFLSA-N 2 2 325.497 1.270 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCCOc1ccc(Cl)cc1 ZINC000420373966 304752922 /nfs/dbraw/zinc/75/29/22/304752922.db2.gz ROZWHWLUVQJXJL-XNJGSVPQSA-N 2 2 339.867 1.811 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000293710193 303007280 /nfs/dbraw/zinc/00/72/80/303007280.db2.gz DQUBPYKIFDGTGG-SFHVURJKSA-N 2 2 347.459 1.834 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000293710193 303007281 /nfs/dbraw/zinc/00/72/81/303007281.db2.gz DQUBPYKIFDGTGG-SFHVURJKSA-N 2 2 347.459 1.834 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)NCC[NH+]2CCSCC2)CC1(C)C ZINC000333285421 303010678 /nfs/dbraw/zinc/01/06/78/303010678.db2.gz YVFGDNRRFPMVSE-CYBMUJFWSA-N 2 2 337.493 1.561 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000294256000 303083821 /nfs/dbraw/zinc/08/38/21/303083821.db2.gz ZPARLJSCECBMCN-GUDVDZBRSA-N 2 2 345.487 1.421 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000294972316 303158330 /nfs/dbraw/zinc/15/83/30/303158330.db2.gz FXUDTRITDYHZFC-DJIMGWMZSA-N 2 2 339.505 1.567 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000294972316 303158332 /nfs/dbraw/zinc/15/83/32/303158332.db2.gz FXUDTRITDYHZFC-DJIMGWMZSA-N 2 2 339.505 1.567 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)N(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000295201289 303187982 /nfs/dbraw/zinc/18/79/82/303187982.db2.gz SNARABFWWMRPEJ-INIZCTEOSA-N 2 2 348.491 1.691 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000295270910 303197493 /nfs/dbraw/zinc/19/74/93/303197493.db2.gz VPSFTSLPCNCAEE-RHSMWYFYSA-N 2 2 333.432 1.091 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000296748302 303335817 /nfs/dbraw/zinc/33/58/17/303335817.db2.gz AZKJWGPUUAOCKJ-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297176701 303368939 /nfs/dbraw/zinc/36/89/39/303368939.db2.gz FJUVENLCOMLGBV-UHFFFAOYSA-N 3 2 344.463 1.160 20 0 EDADLP [NH3+]CC[N@@H+](CCc1ccccc1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000261755684 303381386 /nfs/dbraw/zinc/38/13/86/303381386.db2.gz MKCCWJABOFBKOZ-UHFFFAOYSA-N 2 2 344.459 1.354 20 0 EDADLP [NH3+]CC[N@H+](CCc1ccccc1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000261755684 303381389 /nfs/dbraw/zinc/38/13/89/303381389.db2.gz MKCCWJABOFBKOZ-UHFFFAOYSA-N 2 2 344.459 1.354 20 0 EDADLP O=C(NCc1ccc2c[nH+]cn2c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000297961136 303475961 /nfs/dbraw/zinc/47/59/61/303475961.db2.gz WNBHMAWJRJSXJC-UHFFFAOYSA-N 2 2 339.399 1.955 20 0 EDADLP Cc1cc[nH+]c(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000301625035 303687037 /nfs/dbraw/zinc/68/70/37/303687037.db2.gz GWMNLQWJXFSDAN-UHFFFAOYSA-N 2 2 325.416 1.936 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[NH+](CC3CC3)CC2)nc[nH+]1 ZINC000302115541 303713013 /nfs/dbraw/zinc/71/30/13/303713013.db2.gz RKGOZLJKSQVNOS-MRXNPFEDSA-N 2 2 331.464 1.360 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238030789 303812494 /nfs/dbraw/zinc/81/24/94/303812494.db2.gz RXZHJWJWPYKRIA-SFHVURJKSA-N 2 2 343.471 1.525 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000423311518 304892113 /nfs/dbraw/zinc/89/21/13/304892113.db2.gz UGQXSVULUPLVMP-MRXNPFEDSA-N 2 2 330.457 1.796 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H](C[NH3+])C(C)C)[NH+]2CCOCC2)s1 ZINC000423757524 304909135 /nfs/dbraw/zinc/90/91/35/304909135.db2.gz MRSGALZLHQGEKM-CABCVRRESA-N 2 2 339.505 1.777 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000425431332 304963808 /nfs/dbraw/zinc/96/38/08/304963808.db2.gz DQYBKXDRKICUTO-UHFFFAOYSA-N 2 2 349.479 1.472 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428030999 305004287 /nfs/dbraw/zinc/00/42/87/305004287.db2.gz JUKDIPBVRAFGRC-IEBWSBKVSA-N 2 2 345.487 1.824 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428030999 305004288 /nfs/dbraw/zinc/00/42/88/305004288.db2.gz JUKDIPBVRAFGRC-IEBWSBKVSA-N 2 2 345.487 1.824 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000428040891 305005268 /nfs/dbraw/zinc/00/52/68/305005268.db2.gz MQYRBAWWBJCSPU-CVEARBPZSA-N 2 2 347.459 1.346 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000428040891 305005269 /nfs/dbraw/zinc/00/52/69/305005269.db2.gz MQYRBAWWBJCSPU-CVEARBPZSA-N 2 2 347.459 1.346 20 0 EDADLP O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000428041369 305005279 /nfs/dbraw/zinc/00/52/79/305005279.db2.gz PLHPBPHPIUMOIJ-DLBZAZTESA-N 2 2 348.516 1.076 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000428996897 305022017 /nfs/dbraw/zinc/02/20/17/305022017.db2.gz RLGFJKGMHYODBV-LPHOPBHVSA-N 2 2 329.444 1.134 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000428996897 305022018 /nfs/dbraw/zinc/02/20/18/305022018.db2.gz RLGFJKGMHYODBV-LPHOPBHVSA-N 2 2 329.444 1.134 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000428996897 305022019 /nfs/dbraw/zinc/02/20/19/305022019.db2.gz RLGFJKGMHYODBV-LPHOPBHVSA-N 2 2 329.444 1.134 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000428996897 305022020 /nfs/dbraw/zinc/02/20/20/305022020.db2.gz RLGFJKGMHYODBV-LPHOPBHVSA-N 2 2 329.444 1.134 20 0 EDADLP CC[C@H]1CC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429281484 305027391 /nfs/dbraw/zinc/02/73/91/305027391.db2.gz CEMTZDZTSMOKSA-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP CC[C@H]1CC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429281484 305027392 /nfs/dbraw/zinc/02/73/92/305027392.db2.gz CEMTZDZTSMOKSA-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP COCC[NH2+]CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000429775512 305036848 /nfs/dbraw/zinc/03/68/48/305036848.db2.gz PQGXMQOTCGHQKN-HNNXBMFYSA-N 2 2 336.823 1.515 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000430221946 305047909 /nfs/dbraw/zinc/04/79/09/305047909.db2.gz SNHMTSLCOHHOSL-CQSZACIVSA-N 2 2 334.445 1.442 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000430221946 305047910 /nfs/dbraw/zinc/04/79/10/305047910.db2.gz SNHMTSLCOHHOSL-CQSZACIVSA-N 2 2 334.445 1.442 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000430567655 305056104 /nfs/dbraw/zinc/05/61/04/305056104.db2.gz BHZOLZZMRUOMAN-QFBILLFUSA-N 2 2 332.492 1.592 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430586275 305057245 /nfs/dbraw/zinc/05/72/45/305057245.db2.gz SKOYLIIDYIYQNO-KSZLIROESA-N 2 2 344.503 1.688 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430586275 305057246 /nfs/dbraw/zinc/05/72/46/305057246.db2.gz SKOYLIIDYIYQNO-KSZLIROESA-N 2 2 344.503 1.688 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCCc1cnn(-c2ccccc2)c1)C1CC1 ZINC000430590483 305057590 /nfs/dbraw/zinc/05/75/90/305057590.db2.gz CKEPJOBMMAJPAT-LJQANCHMSA-N 2 2 341.459 1.248 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000430603989 305058083 /nfs/dbraw/zinc/05/80/83/305058083.db2.gz ZSLDZJRUNXWUKH-CQSZACIVSA-N 2 2 329.347 1.910 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430606559 305058346 /nfs/dbraw/zinc/05/83/46/305058346.db2.gz WHKLBHRWMJBAAT-CYBMUJFWSA-N 2 2 325.840 1.506 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430606559 305058347 /nfs/dbraw/zinc/05/83/47/305058347.db2.gz WHKLBHRWMJBAAT-CYBMUJFWSA-N 2 2 325.840 1.506 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430617847 305059353 /nfs/dbraw/zinc/05/93/53/305059353.db2.gz PJMNLSZJLFFEPU-OAHLLOKOSA-N 2 2 337.439 1.642 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430617847 305059354 /nfs/dbraw/zinc/05/93/54/305059354.db2.gz PJMNLSZJLFFEPU-OAHLLOKOSA-N 2 2 337.439 1.642 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000430617200 305059384 /nfs/dbraw/zinc/05/93/84/305059384.db2.gz KTUFUOIGBIMHLD-HNNXBMFYSA-N 2 2 332.448 1.883 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000430617200 305059385 /nfs/dbraw/zinc/05/93/85/305059385.db2.gz KTUFUOIGBIMHLD-HNNXBMFYSA-N 2 2 332.448 1.883 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)C1CC[NH2+]CC1 ZINC000430625454 305060076 /nfs/dbraw/zinc/06/00/76/305060076.db2.gz KRXDOQCMLSQCCI-UHFFFAOYSA-N 2 2 330.432 1.436 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)C1CC[NH2+]CC1 ZINC000430625454 305060077 /nfs/dbraw/zinc/06/00/77/305060077.db2.gz KRXDOQCMLSQCCI-UHFFFAOYSA-N 2 2 330.432 1.436 20 0 EDADLP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC([NH3+])CC1 ZINC000430645032 305061070 /nfs/dbraw/zinc/06/10/70/305061070.db2.gz UOTJUJJIFCAYEB-HIFRSBDPSA-N 2 2 333.432 1.096 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C3CC[NH2+]CC3)CCCCCC2)no1 ZINC000430694802 305062508 /nfs/dbraw/zinc/06/25/08/305062508.db2.gz QYGCGMQYBYJCLP-UHFFFAOYSA-N 2 2 349.479 1.797 20 0 EDADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000430762777 305064399 /nfs/dbraw/zinc/06/43/99/305064399.db2.gz MKUXWFNZIBZILU-DLBZAZTESA-N 2 2 346.475 1.832 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430927844 305068751 /nfs/dbraw/zinc/06/87/51/305068751.db2.gz RUKSSRGWTOKOJR-UONOGXRCSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430927844 305068752 /nfs/dbraw/zinc/06/87/52/305068752.db2.gz RUKSSRGWTOKOJR-UONOGXRCSA-N 2 2 330.432 1.421 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000430934300 305069087 /nfs/dbraw/zinc/06/90/87/305069087.db2.gz OOBINHFZQLTTPM-INIZCTEOSA-N 2 2 341.459 1.089 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000430934300 305069088 /nfs/dbraw/zinc/06/90/88/305069088.db2.gz OOBINHFZQLTTPM-INIZCTEOSA-N 2 2 341.459 1.089 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430937688 305069395 /nfs/dbraw/zinc/06/93/95/305069395.db2.gz DNVBGOBALKLACZ-ZDUSSCGKSA-N 2 2 332.473 1.496 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430937688 305069396 /nfs/dbraw/zinc/06/93/96/305069396.db2.gz DNVBGOBALKLACZ-ZDUSSCGKSA-N 2 2 332.473 1.496 20 0 EDADLP C[NH2+]CC1CC[NH+](CCS(=O)(=O)c2cccc(OC)c2)CC1 ZINC000430959279 305070885 /nfs/dbraw/zinc/07/08/85/305070885.db2.gz XUQVMGQYLXJKJV-UHFFFAOYSA-N 2 2 326.462 1.400 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000430960108 305071144 /nfs/dbraw/zinc/07/11/44/305071144.db2.gz HCDDAQPOODXMQW-GJZGRUSLSA-N 2 2 349.475 1.731 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000430960108 305071145 /nfs/dbraw/zinc/07/11/45/305071145.db2.gz HCDDAQPOODXMQW-GJZGRUSLSA-N 2 2 349.475 1.731 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430969258 305071595 /nfs/dbraw/zinc/07/15/95/305071595.db2.gz ZINOLEGJXFCKPM-UMVBOHGHSA-N 2 2 333.432 1.844 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430969258 305071596 /nfs/dbraw/zinc/07/15/96/305071596.db2.gz ZINOLEGJXFCKPM-UMVBOHGHSA-N 2 2 333.432 1.844 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432076197 305086873 /nfs/dbraw/zinc/08/68/73/305086873.db2.gz GSQTZBDBJHXCTK-TZMCWYRMSA-N 2 2 347.463 1.551 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433212797 305103153 /nfs/dbraw/zinc/10/31/53/305103153.db2.gz MKZAHLRJFLHZHD-OFQRWUPVSA-N 2 2 337.468 1.670 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433212797 305103154 /nfs/dbraw/zinc/10/31/54/305103154.db2.gz MKZAHLRJFLHZHD-OFQRWUPVSA-N 2 2 337.468 1.670 20 0 EDADLP CSC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434494248 305123505 /nfs/dbraw/zinc/12/35/05/305123505.db2.gz OBJNBJUADOJQSG-KBPBESRZSA-N 2 2 329.535 1.929 20 0 EDADLP CSC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434494248 305123506 /nfs/dbraw/zinc/12/35/06/305123506.db2.gz OBJNBJUADOJQSG-KBPBESRZSA-N 2 2 329.535 1.929 20 0 EDADLP CSC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000434494248 305123507 /nfs/dbraw/zinc/12/35/07/305123507.db2.gz OBJNBJUADOJQSG-KBPBESRZSA-N 2 2 329.535 1.929 20 0 EDADLP CSC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000434494248 305123508 /nfs/dbraw/zinc/12/35/08/305123508.db2.gz OBJNBJUADOJQSG-KBPBESRZSA-N 2 2 329.535 1.929 20 0 EDADLP Cc1nn(C)cc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435563723 305142447 /nfs/dbraw/zinc/14/24/47/305142447.db2.gz NDOAHHVEVZZMCH-HNNXBMFYSA-N 2 2 342.447 1.247 20 0 EDADLP CCc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436053620 305151437 /nfs/dbraw/zinc/15/14/37/305151437.db2.gz OLXXAUNYNXUCHX-KRWDZBQOSA-N 2 2 346.475 1.507 20 0 EDADLP CCc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436053620 305151438 /nfs/dbraw/zinc/15/14/38/305151438.db2.gz OLXXAUNYNXUCHX-KRWDZBQOSA-N 2 2 346.475 1.507 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)(N2CCOCC2)C1 ZINC000436480936 305158367 /nfs/dbraw/zinc/15/83/67/305158367.db2.gz KNWJHWFNFDHFKO-ZTRSQXPZSA-N 2 2 337.508 1.329 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)(N2CCOCC2)C1 ZINC000436480936 305158368 /nfs/dbraw/zinc/15/83/68/305158368.db2.gz KNWJHWFNFDHFKO-ZTRSQXPZSA-N 2 2 337.508 1.329 20 0 EDADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000438200041 305183048 /nfs/dbraw/zinc/18/30/48/305183048.db2.gz IURZPAJPCPOOIR-KRWDZBQOSA-N 2 2 334.460 1.914 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000438917386 305191128 /nfs/dbraw/zinc/19/11/28/305191128.db2.gz IEXCEBWGPZMATP-OAHLLOKOSA-N 2 2 334.464 1.374 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000438917386 305191129 /nfs/dbraw/zinc/19/11/29/305191129.db2.gz IEXCEBWGPZMATP-OAHLLOKOSA-N 2 2 334.464 1.374 20 0 EDADLP CC[N@H+](CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000442990208 305232701 /nfs/dbraw/zinc/23/27/01/305232701.db2.gz QDEKFSBSDWJFJC-UHFFFAOYSA-N 2 2 348.472 1.694 20 0 EDADLP CC[N@@H+](CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000442990208 305232702 /nfs/dbraw/zinc/23/27/02/305232702.db2.gz QDEKFSBSDWJFJC-UHFFFAOYSA-N 2 2 348.472 1.694 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000446265391 305262073 /nfs/dbraw/zinc/26/20/73/305262073.db2.gz PFYLOLPNNNCLOV-SIIHOXLZSA-N 2 2 328.416 1.483 20 0 EDADLP O=C(CC[NH2+]Cc1ccncc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000449108633 305306957 /nfs/dbraw/zinc/30/69/57/305306957.db2.gz VELFXPKKJOSCDJ-UHFFFAOYSA-N 2 2 343.406 1.444 20 0 EDADLP C[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)S(C)(=O)=O ZINC000451044916 305331851 /nfs/dbraw/zinc/33/18/51/305331851.db2.gz CEDOFAJCWZBENA-KBAYOESNSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)S(C)(=O)=O ZINC000451044916 305331852 /nfs/dbraw/zinc/33/18/52/305331852.db2.gz CEDOFAJCWZBENA-KBAYOESNSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)S(C)(=O)=O ZINC000451044916 305331853 /nfs/dbraw/zinc/33/18/53/305331853.db2.gz CEDOFAJCWZBENA-KBAYOESNSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)S(C)(=O)=O ZINC000451044916 305331854 /nfs/dbraw/zinc/33/18/54/305331854.db2.gz CEDOFAJCWZBENA-KBAYOESNSA-N 2 2 336.501 1.873 20 0 EDADLP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000451231050 305334750 /nfs/dbraw/zinc/33/47/50/305334750.db2.gz PEAVKNVRVDOYOS-UUAJXVIYSA-N 2 2 342.480 1.168 20 0 EDADLP CO[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000451549175 305352923 /nfs/dbraw/zinc/35/29/23/305352923.db2.gz SNIAVVXYGPUWDW-IAGOWNOFSA-N 2 2 346.475 1.477 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000451549175 305352924 /nfs/dbraw/zinc/35/29/24/305352924.db2.gz SNIAVVXYGPUWDW-IAGOWNOFSA-N 2 2 346.475 1.477 20 0 EDADLP O=C(C[N@@H+]1CCSC[C@@H]1C1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000451645778 305358751 /nfs/dbraw/zinc/35/87/51/305358751.db2.gz BWGIBPPVLZPDIJ-QGZVFWFLSA-N 2 2 349.500 1.751 20 0 EDADLP O=C(C[N@H+]1CCSC[C@@H]1C1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000451645778 305358752 /nfs/dbraw/zinc/35/87/52/305358752.db2.gz BWGIBPPVLZPDIJ-QGZVFWFLSA-N 2 2 349.500 1.751 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000451690750 305362518 /nfs/dbraw/zinc/36/25/18/305362518.db2.gz PDYVEKOOBHNHFA-ZDUSSCGKSA-N 2 2 328.482 1.475 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c[nH+]1 ZINC000454224899 305419492 /nfs/dbraw/zinc/41/94/92/305419492.db2.gz JJXATRFRAJHYDN-HZPDHXFCSA-N 2 2 334.464 1.997 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C)n(C)n3)CC2)CC1 ZINC000487374519 305549021 /nfs/dbraw/zinc/54/90/21/305549021.db2.gz XWTWZAICXWYJEP-UHFFFAOYSA-N 2 2 347.507 1.495 20 0 EDADLP CC(=O)Nc1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000515414247 305721303 /nfs/dbraw/zinc/72/13/03/305721303.db2.gz DTUIHXQSZAJPSN-LBTNJELSSA-N 2 2 335.448 1.205 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC(=O)Cn3cc[nH+]c3)nc2)CC1 ZINC000521710161 305792065 /nfs/dbraw/zinc/79/20/65/305792065.db2.gz ZGCLTGRPCPPERN-UHFFFAOYSA-N 2 2 328.420 1.447 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000522002625 305797323 /nfs/dbraw/zinc/79/73/23/305797323.db2.gz XWHHGMNDWSEJGK-ZBFHGGJFSA-N 2 2 333.480 1.360 20 0 EDADLP C[N@H+](CCN1CCCC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425921980 447361388 /nfs/dbraw/zinc/36/13/88/447361388.db2.gz JMLZJXHBYCJOHI-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP C[N@@H+](CCN1CCCC1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425921980 447361391 /nfs/dbraw/zinc/36/13/91/447361391.db2.gz JMLZJXHBYCJOHI-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP C[NH+](CCN1CCCC1=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425921980 447361392 /nfs/dbraw/zinc/36/13/92/447361392.db2.gz JMLZJXHBYCJOHI-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP C[NH+](CCN1CCCC1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425921980 447361395 /nfs/dbraw/zinc/36/13/95/447361395.db2.gz JMLZJXHBYCJOHI-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(C)cc2OC)CC1 ZINC000449023155 447361123 /nfs/dbraw/zinc/36/11/23/447361123.db2.gz NZHSABRYTJJCOS-UHFFFAOYSA-N 2 2 333.476 1.990 20 0 EDADLP CC(C)N(C)C(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425938175 447364048 /nfs/dbraw/zinc/36/40/48/447364048.db2.gz PFRAMVKFRWPPKL-LJQANCHMSA-N 2 2 333.476 1.422 20 0 EDADLP CC(C)N(C)C(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425938175 447364055 /nfs/dbraw/zinc/36/40/55/447364055.db2.gz PFRAMVKFRWPPKL-LJQANCHMSA-N 2 2 333.476 1.422 20 0 EDADLP CC(C)N(C)C(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425938175 447364065 /nfs/dbraw/zinc/36/40/65/447364065.db2.gz PFRAMVKFRWPPKL-LJQANCHMSA-N 2 2 333.476 1.422 20 0 EDADLP CC(C)N(C)C(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425938175 447364070 /nfs/dbraw/zinc/36/40/70/447364070.db2.gz PFRAMVKFRWPPKL-LJQANCHMSA-N 2 2 333.476 1.422 20 0 EDADLP O=c1[nH]c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc2ccsc21 ZINC000530237902 305935366 /nfs/dbraw/zinc/93/53/66/305935366.db2.gz GLXUJIIIQPZJQL-ZDUSSCGKSA-N 2 2 348.472 1.987 20 0 EDADLP FC(F)Cn1ncnc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239060 305935445 /nfs/dbraw/zinc/93/54/45/305935445.db2.gz CDSVXPHFWZHNNC-ZDUSSCGKSA-N 2 2 329.395 1.134 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000530360522 305938947 /nfs/dbraw/zinc/93/89/47/305938947.db2.gz VBGNBVZMEBHGKI-KGLIPLIRSA-N 2 2 348.472 1.813 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000531939181 305970853 /nfs/dbraw/zinc/97/08/53/305970853.db2.gz LGOHEYYTVIYKHL-CQSZACIVSA-N 2 2 336.461 1.922 20 0 EDADLP Cn1cnnc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000535006122 306010182 /nfs/dbraw/zinc/01/01/82/306010182.db2.gz OJLADEWLJFGLOT-UHFFFAOYSA-N 2 2 348.495 1.019 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000536618333 306024089 /nfs/dbraw/zinc/02/40/89/306024089.db2.gz BHDJWMMHBGXOTC-CQSZACIVSA-N 2 2 333.480 1.515 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)NCCCCn2cc[nH+]c2)ccn1 ZINC000541897397 306049349 /nfs/dbraw/zinc/04/93/49/306049349.db2.gz AQAWCFNSWZEHDD-UHFFFAOYSA-N 2 2 331.420 1.429 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000542697719 306056861 /nfs/dbraw/zinc/05/68/61/306056861.db2.gz RPWWOVCFLJJODJ-HNNXBMFYSA-N 2 2 334.464 1.235 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000542697719 306056862 /nfs/dbraw/zinc/05/68/62/306056862.db2.gz RPWWOVCFLJJODJ-HNNXBMFYSA-N 2 2 334.464 1.235 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000547984306 306116779 /nfs/dbraw/zinc/11/67/79/306116779.db2.gz FADBZNFSQLEKND-IRXDYDNUSA-N 2 2 339.443 1.621 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000547984306 306116780 /nfs/dbraw/zinc/11/67/80/306116780.db2.gz FADBZNFSQLEKND-IRXDYDNUSA-N 2 2 339.443 1.621 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000548778930 306137798 /nfs/dbraw/zinc/13/77/98/306137798.db2.gz CGZIASXIJHWFNB-HNNXBMFYSA-N 2 2 328.420 1.742 20 0 EDADLP C[N@@H+]1CCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1(C)C ZINC000550107470 306150709 /nfs/dbraw/zinc/15/07/09/306150709.db2.gz OFTBXBHUBZSOSR-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP C[N@H+]1CCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC1(C)C ZINC000550107470 306150710 /nfs/dbraw/zinc/15/07/10/306150710.db2.gz OFTBXBHUBZSOSR-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1(C)C ZINC000550107470 306150711 /nfs/dbraw/zinc/15/07/11/306150711.db2.gz OFTBXBHUBZSOSR-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1(C)C ZINC000550107470 306150712 /nfs/dbraw/zinc/15/07/12/306150712.db2.gz OFTBXBHUBZSOSR-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)Cc3cnn(C)c3)c2cc1C ZINC000552912725 306181576 /nfs/dbraw/zinc/18/15/76/306181576.db2.gz BKPWMKDCMUJFSB-WBVHZDCISA-N 2 2 341.459 1.968 20 0 EDADLP C[C@H](C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[NH+]1CC(C)C1 ZINC000553498066 306185800 /nfs/dbraw/zinc/18/58/00/306185800.db2.gz LBXWKJOJVDYVIG-QGZVFWFLSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2-n2cc[nH+]c2)C[C@H](C)O1 ZINC000555581121 306203320 /nfs/dbraw/zinc/20/33/20/306203320.db2.gz RTONSZRIBMOOBE-OWCLPIDISA-N 2 2 331.416 1.721 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2-n2cc[nH+]c2)C[C@H](C)O1 ZINC000555581121 306203321 /nfs/dbraw/zinc/20/33/21/306203321.db2.gz RTONSZRIBMOOBE-OWCLPIDISA-N 2 2 331.416 1.721 20 0 EDADLP CCc1ccc([C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000557135690 306224651 /nfs/dbraw/zinc/22/46/51/306224651.db2.gz LIHFXQDIEBNAPR-MSOLQXFVSA-N 3 2 347.507 1.136 20 0 EDADLP CCc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000557135690 306224652 /nfs/dbraw/zinc/22/46/52/306224652.db2.gz LIHFXQDIEBNAPR-MSOLQXFVSA-N 3 2 347.507 1.136 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H](C)[NH+]2CC(C)C2)[NH+]2CCOCC2)c1 ZINC000557523143 306229072 /nfs/dbraw/zinc/22/90/72/306229072.db2.gz JBNQUQWFEMBBBH-IEBWSBKVSA-N 2 2 345.487 1.825 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000422142164 447369484 /nfs/dbraw/zinc/36/94/84/447369484.db2.gz QEWQQGGSTCBVCN-KGLIPLIRSA-N 2 2 333.436 1.016 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000422142164 447369490 /nfs/dbraw/zinc/36/94/90/447369490.db2.gz QEWQQGGSTCBVCN-KGLIPLIRSA-N 2 2 333.436 1.016 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CC)C[C@H]1CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000456384899 447382540 /nfs/dbraw/zinc/38/25/40/447382540.db2.gz QNNVEWMYXZWBTR-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CC)C[C@H]1CC)[N@H+]1CCO[C@H](CC)C1 ZINC000456384899 447382547 /nfs/dbraw/zinc/38/25/47/447382547.db2.gz QNNVEWMYXZWBTR-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[N@H+](CC)C[C@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000456384899 447382549 /nfs/dbraw/zinc/38/25/49/447382549.db2.gz QNNVEWMYXZWBTR-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[N@@H+](CC)C[C@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000456384899 447382556 /nfs/dbraw/zinc/38/25/56/447382556.db2.gz QNNVEWMYXZWBTR-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP Cc1cc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)cc(C)[nH+]1 ZINC000422179448 447390569 /nfs/dbraw/zinc/39/05/69/447390569.db2.gz KVLSDZRLZJGTCW-UHFFFAOYSA-N 2 2 333.480 1.524 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000426131338 447395092 /nfs/dbraw/zinc/39/50/92/447395092.db2.gz NWBKSIMSKKZSNW-AOIWGVFYSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000426131338 447395097 /nfs/dbraw/zinc/39/50/97/447395097.db2.gz NWBKSIMSKKZSNW-AOIWGVFYSA-N 2 2 345.487 1.595 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000422206962 447403178 /nfs/dbraw/zinc/40/31/78/447403178.db2.gz LNYGIIHSUQIDKO-WBVHZDCISA-N 2 2 334.464 1.685 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000422206962 447403181 /nfs/dbraw/zinc/40/31/81/447403181.db2.gz LNYGIIHSUQIDKO-WBVHZDCISA-N 2 2 334.464 1.685 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)on1 ZINC000378300107 447416161 /nfs/dbraw/zinc/41/61/61/447416161.db2.gz VGAPSZAETDVCOK-HZPDHXFCSA-N 2 2 349.479 1.269 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)on1 ZINC000378300107 447416164 /nfs/dbraw/zinc/41/61/64/447416164.db2.gz VGAPSZAETDVCOK-HZPDHXFCSA-N 2 2 349.479 1.269 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C3CC3)CC2)cn1 ZINC000426378274 447429268 /nfs/dbraw/zinc/42/92/68/447429268.db2.gz KVLGYWMFIRNOPA-SFHVURJKSA-N 2 2 345.491 1.564 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C3CC3)CC2)cn1 ZINC000426378274 447429274 /nfs/dbraw/zinc/42/92/74/447429274.db2.gz KVLGYWMFIRNOPA-SFHVURJKSA-N 2 2 345.491 1.564 20 0 EDADLP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)cn1 ZINC000426378274 447429276 /nfs/dbraw/zinc/42/92/76/447429276.db2.gz KVLGYWMFIRNOPA-SFHVURJKSA-N 2 2 345.491 1.564 20 0 EDADLP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)cn1 ZINC000426378274 447429281 /nfs/dbraw/zinc/42/92/81/447429281.db2.gz KVLGYWMFIRNOPA-SFHVURJKSA-N 2 2 345.491 1.564 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCO1 ZINC000045752744 441031530 /nfs/dbraw/zinc/03/15/30/441031530.db2.gz WGMQIKXTNQZWCS-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCO1 ZINC000045752744 441031535 /nfs/dbraw/zinc/03/15/35/441031535.db2.gz WGMQIKXTNQZWCS-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CC(C)C[C@@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000057803630 441135896 /nfs/dbraw/zinc/13/58/96/441135896.db2.gz PHQNGYHRXFDQOL-CVEARBPZSA-N 2 2 337.468 1.318 20 0 EDADLP CC[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000071927133 441199376 /nfs/dbraw/zinc/19/93/76/441199376.db2.gz UJIZCISHJPMAKS-UHFFFAOYSA-N 2 2 331.464 1.393 20 0 EDADLP Cc1ccc(C[NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000016375945 441220849 /nfs/dbraw/zinc/22/08/49/441220849.db2.gz RVANYYMQMLTSOF-LJQANCHMSA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccc(C[NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000016375945 441220851 /nfs/dbraw/zinc/22/08/51/441220851.db2.gz RVANYYMQMLTSOF-LJQANCHMSA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccc(C[N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC000016375945 441220852 /nfs/dbraw/zinc/22/08/52/441220852.db2.gz RVANYYMQMLTSOF-LJQANCHMSA-N 2 2 347.503 1.900 20 0 EDADLP Cc1ccc(C[N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)cc1 ZINC000016375945 441220854 /nfs/dbraw/zinc/22/08/54/441220854.db2.gz RVANYYMQMLTSOF-LJQANCHMSA-N 2 2 347.503 1.900 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[NH+](C2CCCC2)CC1)[NH+]1CCOCC1 ZINC000105301830 441249557 /nfs/dbraw/zinc/24/95/57/441249557.db2.gz LYVHFHDLRYLRDS-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCOCC1 ZINC000105302993 441250146 /nfs/dbraw/zinc/25/01/46/441250146.db2.gz IYEDWKODXAJGQH-LSDHHAIUSA-N 2 2 335.452 1.339 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000060910070 441261340 /nfs/dbraw/zinc/26/13/40/441261340.db2.gz XHFHDFKANUOKDB-UHFFFAOYSA-N 2 2 346.475 1.414 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000081467565 441273989 /nfs/dbraw/zinc/27/39/89/441273989.db2.gz LQKVCXQUKURTQY-INIZCTEOSA-N 2 2 334.464 1.720 20 0 EDADLP CC[NH+]1CCN(CCNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)CC1 ZINC000073639670 441336868 /nfs/dbraw/zinc/33/68/68/441336868.db2.gz WKCSMLITGDXCER-UHFFFAOYSA-N 2 2 341.459 1.548 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000063756158 441350281 /nfs/dbraw/zinc/35/02/81/441350281.db2.gz DSOIFHNIVODLIG-KRWDZBQOSA-N 2 2 330.432 1.976 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000063756158 441350283 /nfs/dbraw/zinc/35/02/83/441350283.db2.gz DSOIFHNIVODLIG-KRWDZBQOSA-N 2 2 330.432 1.976 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000106547563 441354512 /nfs/dbraw/zinc/35/45/12/441354512.db2.gz YGDPNWDLJGAZBL-IRXDYDNUSA-N 2 2 339.528 1.042 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083716360 441369749 /nfs/dbraw/zinc/36/97/49/441369749.db2.gz PQQNTLBEUKCRBF-GFCCVEGCSA-N 2 2 333.440 1.127 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(-c4ccco4)no3)C2)CC1 ZINC000107368642 441412548 /nfs/dbraw/zinc/41/25/48/441412548.db2.gz QODXUFCKOOIMSU-CQSZACIVSA-N 2 2 331.420 1.541 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(-c4ccco4)no3)C2)CC1 ZINC000107368642 441412551 /nfs/dbraw/zinc/41/25/51/441412551.db2.gz QODXUFCKOOIMSU-CQSZACIVSA-N 2 2 331.420 1.541 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3cccc(OC)c3)C2)CC1 ZINC000107371130 441413938 /nfs/dbraw/zinc/41/39/38/441413938.db2.gz VUFDVXCKPFNMGH-KRWDZBQOSA-N 2 2 346.475 1.346 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3cccc(OC)c3)C2)CC1 ZINC000107371130 441413941 /nfs/dbraw/zinc/41/39/41/441413941.db2.gz VUFDVXCKPFNMGH-KRWDZBQOSA-N 2 2 346.475 1.346 20 0 EDADLP O=S(=O)(CCNc1cccc[nH+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000052100240 441434043 /nfs/dbraw/zinc/43/40/43/441434043.db2.gz XJLDEKXSNWJMRA-UHFFFAOYSA-N 2 2 347.444 1.041 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@](C)(O)Cc1ccccc1 ZINC000074676369 441456429 /nfs/dbraw/zinc/45/64/29/441456429.db2.gz RWONNBVVRFFZAB-FQEVSTJZSA-N 2 2 347.503 1.465 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@](C)(O)Cc1ccccc1 ZINC000074676369 441456433 /nfs/dbraw/zinc/45/64/33/441456433.db2.gz RWONNBVVRFFZAB-FQEVSTJZSA-N 2 2 347.503 1.465 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC(=O)N(C)CC2CC2)CC1 ZINC000113501538 441610375 /nfs/dbraw/zinc/61/03/75/441610375.db2.gz HWDMGNPWZXLXLG-IAGOWNOFSA-N 2 2 336.524 1.345 20 0 EDADLP C[NH+]1CCN(C(C)(C)CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000076055597 441588408 /nfs/dbraw/zinc/58/84/08/441588408.db2.gz GYHHOVOBGWSRPL-HNNXBMFYSA-N 2 2 348.495 1.325 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000035852676 441604414 /nfs/dbraw/zinc/60/44/14/441604414.db2.gz ZTJFGYICGZCUFU-UHFFFAOYSA-N 2 2 336.867 1.236 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000067471795 441644198 /nfs/dbraw/zinc/64/41/98/441644198.db2.gz LPLBHBXSNKGHIV-HNNXBMFYSA-N 2 2 349.475 1.688 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000067471795 441644200 /nfs/dbraw/zinc/64/42/00/441644200.db2.gz LPLBHBXSNKGHIV-HNNXBMFYSA-N 2 2 349.475 1.688 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114479863 441663858 /nfs/dbraw/zinc/66/38/58/441663858.db2.gz LOQDVAWZCFENCB-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114479863 441663859 /nfs/dbraw/zinc/66/38/59/441663859.db2.gz LOQDVAWZCFENCB-QGZVFWFLSA-N 2 2 333.476 1.975 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)o1 ZINC000041836235 441677398 /nfs/dbraw/zinc/67/73/98/441677398.db2.gz AFYMUVFNFPRFFH-UHFFFAOYSA-N 2 2 336.480 1.489 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NCCC[N@H+](C)CCOC ZINC000041967170 441689417 /nfs/dbraw/zinc/68/94/17/441689417.db2.gz HGAVZTRSNDQALH-UHFFFAOYSA-N 2 2 332.448 1.683 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NCCC[N@@H+](C)CCOC ZINC000041967170 441689423 /nfs/dbraw/zinc/68/94/23/441689423.db2.gz HGAVZTRSNDQALH-UHFFFAOYSA-N 2 2 332.448 1.683 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)CCO1 ZINC000091453668 441701652 /nfs/dbraw/zinc/70/16/52/441701652.db2.gz KLFMVFLIKXLFFH-AWEZNQCLSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)CCO1 ZINC000091453668 441701656 /nfs/dbraw/zinc/70/16/56/441701656.db2.gz KLFMVFLIKXLFFH-AWEZNQCLSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)CCO1 ZINC000091453668 441701662 /nfs/dbraw/zinc/70/16/62/441701662.db2.gz KLFMVFLIKXLFFH-AWEZNQCLSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)CCO1 ZINC000091453668 441701668 /nfs/dbraw/zinc/70/16/68/441701668.db2.gz KLFMVFLIKXLFFH-AWEZNQCLSA-N 2 2 331.464 1.988 20 0 EDADLP CS(=O)(=O)NCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000158253195 441712830 /nfs/dbraw/zinc/71/28/30/441712830.db2.gz YYTGFGBLKPFUKY-UHFFFAOYSA-N 2 2 345.896 1.443 20 0 EDADLP O=C(CN1CC[NH+](CCn2cc[nH+]c2)CC1)Nc1ccc(F)cc1 ZINC000077119937 441720244 /nfs/dbraw/zinc/72/02/44/441720244.db2.gz XXHCMYOHKWDKLE-UHFFFAOYSA-N 2 2 331.395 1.279 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739310 441775521 /nfs/dbraw/zinc/77/55/21/441775521.db2.gz CNGLPWGSCOUQDA-MRXNPFEDSA-N 2 2 339.524 1.945 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739310 441775528 /nfs/dbraw/zinc/77/55/28/441775528.db2.gz CNGLPWGSCOUQDA-MRXNPFEDSA-N 2 2 339.524 1.945 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000159002230 441780499 /nfs/dbraw/zinc/78/04/99/441780499.db2.gz IPYNBJXKMGWJIW-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000159002230 441780506 /nfs/dbraw/zinc/78/05/06/441780506.db2.gz IPYNBJXKMGWJIW-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CC[N@H+](C)CCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115811807 441781251 /nfs/dbraw/zinc/78/12/51/441781251.db2.gz RPJYFGZJABBXQA-CQSZACIVSA-N 2 2 328.407 1.818 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000115811807 441781255 /nfs/dbraw/zinc/78/12/55/441781255.db2.gz RPJYFGZJABBXQA-CQSZACIVSA-N 2 2 328.407 1.818 20 0 EDADLP C[N@H+](CC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCSC1 ZINC000138495933 441792517 /nfs/dbraw/zinc/79/25/17/441792517.db2.gz YBSZEWBYKGUXAY-OAHLLOKOSA-N 2 2 330.457 1.926 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCSC1 ZINC000138495933 441792520 /nfs/dbraw/zinc/79/25/20/441792520.db2.gz YBSZEWBYKGUXAY-OAHLLOKOSA-N 2 2 330.457 1.926 20 0 EDADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCOC1 ZINC000068520577 441812686 /nfs/dbraw/zinc/81/26/86/441812686.db2.gz NRLUPLQNEJPURO-QGZVFWFLSA-N 2 2 346.475 1.479 20 0 EDADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCOC1 ZINC000068520577 441812690 /nfs/dbraw/zinc/81/26/90/441812690.db2.gz NRLUPLQNEJPURO-QGZVFWFLSA-N 2 2 346.475 1.479 20 0 EDADLP CN(CC(=O)N1CC[NH+](C)CC1)Cc1[nH+]ccn1Cc1ccccc1 ZINC000093176960 441862478 /nfs/dbraw/zinc/86/24/78/441862478.db2.gz ONZNZPPDQXNWHO-UHFFFAOYSA-N 2 2 341.459 1.137 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000140051531 441832081 /nfs/dbraw/zinc/83/20/81/441832081.db2.gz CWJVKHGSWFDUBQ-ZBFHGGJFSA-N 2 2 330.432 1.751 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000140051531 441832084 /nfs/dbraw/zinc/83/20/84/441832084.db2.gz CWJVKHGSWFDUBQ-ZBFHGGJFSA-N 2 2 330.432 1.751 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000140051531 441832089 /nfs/dbraw/zinc/83/20/89/441832089.db2.gz CWJVKHGSWFDUBQ-ZBFHGGJFSA-N 2 2 330.432 1.751 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC(=O)Nc3ccccc3)CC[C@@H]21 ZINC000140051531 441832092 /nfs/dbraw/zinc/83/20/92/441832092.db2.gz CWJVKHGSWFDUBQ-ZBFHGGJFSA-N 2 2 330.432 1.751 20 0 EDADLP Cc1cccc(NC2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)[nH+]1 ZINC000077750005 441847192 /nfs/dbraw/zinc/84/71/92/441847192.db2.gz JIRBCUDFKWETSL-UHFFFAOYSA-N 2 2 347.463 1.308 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000150759580 441944927 /nfs/dbraw/zinc/94/49/27/441944927.db2.gz OGTNMXPHCKXNNS-MRXNPFEDSA-N 3 2 334.508 1.147 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000150759580 441944933 /nfs/dbraw/zinc/94/49/33/441944933.db2.gz OGTNMXPHCKXNNS-MRXNPFEDSA-N 3 2 334.508 1.147 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000174764060 441967014 /nfs/dbraw/zinc/96/70/14/441967014.db2.gz JTRZVAUHDDJJSH-INIZCTEOSA-N 2 2 332.379 1.267 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000174764060 441967020 /nfs/dbraw/zinc/96/70/20/441967020.db2.gz JTRZVAUHDDJJSH-INIZCTEOSA-N 2 2 332.379 1.267 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000119951195 441981794 /nfs/dbraw/zinc/98/17/94/441981794.db2.gz IRUNOAKPBVEDGR-QUSNUVHPSA-N 2 2 325.497 1.769 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000119951195 441981797 /nfs/dbraw/zinc/98/17/97/441981797.db2.gz IRUNOAKPBVEDGR-QUSNUVHPSA-N 2 2 325.497 1.769 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000151159905 442016742 /nfs/dbraw/zinc/01/67/42/442016742.db2.gz OTDIHFDCKOWIRA-CYBMUJFWSA-N 2 2 333.484 1.513 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000151159905 442016746 /nfs/dbraw/zinc/01/67/46/442016746.db2.gz OTDIHFDCKOWIRA-CYBMUJFWSA-N 2 2 333.484 1.513 20 0 EDADLP CC(C)[C@H](CCO)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000162116369 442065176 /nfs/dbraw/zinc/06/51/76/442065176.db2.gz OHRLNCZZDWZOLA-CVEARBPZSA-N 2 2 334.464 1.115 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000120443282 442072662 /nfs/dbraw/zinc/07/26/62/442072662.db2.gz AWCVELDEHTZWDZ-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000120443282 442072667 /nfs/dbraw/zinc/07/26/67/442072667.db2.gz AWCVELDEHTZWDZ-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000120443282 442072672 /nfs/dbraw/zinc/07/26/72/442072672.db2.gz AWCVELDEHTZWDZ-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000120443282 442072677 /nfs/dbraw/zinc/07/26/77/442072677.db2.gz AWCVELDEHTZWDZ-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000175548104 442082860 /nfs/dbraw/zinc/08/28/60/442082860.db2.gz HCVBKJCOYVKWRJ-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[C@@H](COC)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175782516 442121207 /nfs/dbraw/zinc/12/12/07/442121207.db2.gz GJKWVDQPERUKST-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000162986924 442136576 /nfs/dbraw/zinc/13/65/76/442136576.db2.gz GNTCJIZQGCLKIM-JYJNAYRXSA-N 2 2 332.448 1.133 20 0 EDADLP C[C@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000163389595 442163076 /nfs/dbraw/zinc/16/30/76/442163076.db2.gz OBGICQANYIWGEY-HUUCEWRRSA-N 2 2 335.452 1.615 20 0 EDADLP CC1(C)C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C(C)(C)O1 ZINC000168950286 442225225 /nfs/dbraw/zinc/22/52/25/442225225.db2.gz PLLYTRLPMXTKSN-MRXNPFEDSA-N 2 2 327.513 1.312 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000170827278 442269362 /nfs/dbraw/zinc/26/93/62/442269362.db2.gz JQUZWQDRUJEBHN-CVEARBPZSA-N 2 2 345.422 1.994 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000176914079 442272053 /nfs/dbraw/zinc/27/20/53/442272053.db2.gz SSDQSGSYPQSCLD-HNNXBMFYSA-N 2 2 332.448 1.818 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170837894 442273273 /nfs/dbraw/zinc/27/32/73/442273273.db2.gz MHVDMNMMLWVXDH-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170837894 442273275 /nfs/dbraw/zinc/27/32/75/442273275.db2.gz MHVDMNMMLWVXDH-UHFFFAOYSA-N 2 2 328.501 1.326 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000170886859 442283263 /nfs/dbraw/zinc/28/32/63/442283263.db2.gz IVJQXLPKMQGJIK-KGLIPLIRSA-N 2 2 330.432 1.570 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129683243 442327981 /nfs/dbraw/zinc/32/79/81/442327981.db2.gz HXRDDAVENLARHQ-KURKYZTESA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129683243 442327985 /nfs/dbraw/zinc/32/79/85/442327985.db2.gz HXRDDAVENLARHQ-KURKYZTESA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000171247720 442333288 /nfs/dbraw/zinc/33/32/88/442333288.db2.gz VZFOQGBAIKMGOR-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000171247720 442333292 /nfs/dbraw/zinc/33/32/92/442333292.db2.gz VZFOQGBAIKMGOR-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000172182479 442420162 /nfs/dbraw/zinc/42/01/62/442420162.db2.gz RCTLLZBUCCFTNV-HNNXBMFYSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000172182479 442420165 /nfs/dbraw/zinc/42/01/65/442420165.db2.gz RCTLLZBUCCFTNV-HNNXBMFYSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)C(C)(C)C ZINC000172184195 442420588 /nfs/dbraw/zinc/42/05/88/442420588.db2.gz QEKZKFQZGLJHAS-HNNXBMFYSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)C(C)(C)C ZINC000172184195 442420592 /nfs/dbraw/zinc/42/05/92/442420592.db2.gz QEKZKFQZGLJHAS-HNNXBMFYSA-N 2 2 342.528 1.763 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000134507702 442489376 /nfs/dbraw/zinc/48/93/76/442489376.db2.gz RZDUMHVZBMDMTD-AWEZNQCLSA-N 2 2 346.435 1.106 20 0 EDADLP COc1ccc([C@H](C[NH2+]C2CCN(C(N)=O)CC2)[NH+]2CCCC2)cc1 ZINC000156638633 442504417 /nfs/dbraw/zinc/50/44/17/442504417.db2.gz XFNSCTAXGMTGIE-SFHVURJKSA-N 2 2 346.475 1.965 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)[C@H](C)C1 ZINC000178709940 442460211 /nfs/dbraw/zinc/46/02/11/442460211.db2.gz AGVYWPLHPYTNDV-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)[C@H](C)C1 ZINC000178709940 442460213 /nfs/dbraw/zinc/46/02/13/442460213.db2.gz AGVYWPLHPYTNDV-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@H](C)C1 ZINC000178709940 442460218 /nfs/dbraw/zinc/46/02/18/442460218.db2.gz AGVYWPLHPYTNDV-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOCC2(C)C)[C@H](C)C1 ZINC000178709940 442460220 /nfs/dbraw/zinc/46/02/20/442460220.db2.gz AGVYWPLHPYTNDV-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP CCNS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178968334 442541105 /nfs/dbraw/zinc/54/11/05/442541105.db2.gz HAIOJVUIFBDVFV-HOTGVXAUSA-N 2 2 346.541 1.110 20 0 EDADLP CCNS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178968334 442541109 /nfs/dbraw/zinc/54/11/09/442541109.db2.gz HAIOJVUIFBDVFV-HOTGVXAUSA-N 2 2 346.541 1.110 20 0 EDADLP CC(=O)NC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192030744 442574763 /nfs/dbraw/zinc/57/47/63/442574763.db2.gz PXMLXMJYZVQHNU-SFHVURJKSA-N 2 2 328.416 1.518 20 0 EDADLP CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192030744 442574765 /nfs/dbraw/zinc/57/47/65/442574765.db2.gz PXMLXMJYZVQHNU-SFHVURJKSA-N 2 2 328.416 1.518 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000186590735 442567626 /nfs/dbraw/zinc/56/76/26/442567626.db2.gz REFYKIPYUXTFNW-FPOVZHCZSA-N 3 2 344.547 1.919 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000186590735 442567630 /nfs/dbraw/zinc/56/76/30/442567630.db2.gz REFYKIPYUXTFNW-FPOVZHCZSA-N 3 2 344.547 1.919 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)ccc1F ZINC000136027304 442646965 /nfs/dbraw/zinc/64/69/65/442646965.db2.gz UMPRMPCOQQHXRJ-AWEZNQCLSA-N 2 2 330.407 1.963 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000173189230 442620533 /nfs/dbraw/zinc/62/05/33/442620533.db2.gz JFFKTKCEJNCZKJ-CABCVRRESA-N 2 2 337.468 1.380 20 0 EDADLP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000193304983 442731439 /nfs/dbraw/zinc/73/14/39/442731439.db2.gz CBZZVAPJKDOWNP-OAHLLOKOSA-N 2 2 335.448 1.141 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000193345574 442734731 /nfs/dbraw/zinc/73/47/31/442734731.db2.gz ZNWBEIVTAKYXPM-ZBFHGGJFSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000193345574 442734732 /nfs/dbraw/zinc/73/47/32/442734732.db2.gz ZNWBEIVTAKYXPM-ZBFHGGJFSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188310150 442736843 /nfs/dbraw/zinc/73/68/43/442736843.db2.gz QNVZEODUOUUGLV-YLJYHZDGSA-N 2 2 347.503 1.811 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188310150 442736845 /nfs/dbraw/zinc/73/68/45/442736845.db2.gz QNVZEODUOUUGLV-YLJYHZDGSA-N 2 2 347.503 1.811 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188310150 442736847 /nfs/dbraw/zinc/73/68/47/442736847.db2.gz QNVZEODUOUUGLV-YLJYHZDGSA-N 2 2 347.503 1.811 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188310150 442736848 /nfs/dbraw/zinc/73/68/48/442736848.db2.gz QNVZEODUOUUGLV-YLJYHZDGSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182617268 442796494 /nfs/dbraw/zinc/79/64/94/442796494.db2.gz XRRNFSSIDYTFFU-YQQAZPJKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182617268 442796498 /nfs/dbraw/zinc/79/64/98/442796498.db2.gz XRRNFSSIDYTFFU-YQQAZPJKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182617268 442796502 /nfs/dbraw/zinc/79/65/02/442796502.db2.gz XRRNFSSIDYTFFU-YQQAZPJKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182617268 442796506 /nfs/dbraw/zinc/79/65/06/442796506.db2.gz XRRNFSSIDYTFFU-YQQAZPJKSA-N 2 2 338.496 1.269 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182472457 442772357 /nfs/dbraw/zinc/77/23/57/442772357.db2.gz PIMDFQJEEWTIAD-RTBURBONSA-N 2 2 345.487 1.219 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000182472457 442772358 /nfs/dbraw/zinc/77/23/58/442772358.db2.gz PIMDFQJEEWTIAD-RTBURBONSA-N 2 2 345.487 1.219 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000268089205 442843619 /nfs/dbraw/zinc/84/36/19/442843619.db2.gz AJVGNLODABHNBI-XJKSGUPXSA-N 2 2 327.432 1.659 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000268089205 442843624 /nfs/dbraw/zinc/84/36/24/442843624.db2.gz AJVGNLODABHNBI-XJKSGUPXSA-N 2 2 327.432 1.659 20 0 EDADLP CN1C(=O)C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000247881180 442871281 /nfs/dbraw/zinc/87/12/81/442871281.db2.gz BSSYMLZHSGKWKB-KSZLIROESA-N 2 2 341.455 1.730 20 0 EDADLP CN1C(=O)C[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000247881180 442871289 /nfs/dbraw/zinc/87/12/89/442871289.db2.gz BSSYMLZHSGKWKB-KSZLIROESA-N 2 2 341.455 1.730 20 0 EDADLP CN1C(=O)C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC000247881180 442871293 /nfs/dbraw/zinc/87/12/93/442871293.db2.gz BSSYMLZHSGKWKB-KSZLIROESA-N 2 2 341.455 1.730 20 0 EDADLP CN1C(=O)C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1=O ZINC000247881180 442871297 /nfs/dbraw/zinc/87/12/97/442871297.db2.gz BSSYMLZHSGKWKB-KSZLIROESA-N 2 2 341.455 1.730 20 0 EDADLP CC[C@@]1(CO)CCC[N@H+](C[C@H](O)C[NH+]2CCC[C@](CC)(CO)C2)C1 ZINC000248745480 442923099 /nfs/dbraw/zinc/92/30/99/442923099.db2.gz RMRRSZMPMCUSRG-REPLKXPHSA-N 2 2 342.524 1.316 20 0 EDADLP CC[C@@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+]2CCC[C@](CC)(CO)C2)C1 ZINC000248745480 442923101 /nfs/dbraw/zinc/92/31/01/442923101.db2.gz RMRRSZMPMCUSRG-REPLKXPHSA-N 2 2 342.524 1.316 20 0 EDADLP CC[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000248745480 442923106 /nfs/dbraw/zinc/92/31/06/442923106.db2.gz RMRRSZMPMCUSRG-REPLKXPHSA-N 2 2 342.524 1.316 20 0 EDADLP CC[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000248745480 442923108 /nfs/dbraw/zinc/92/31/08/442923108.db2.gz RMRRSZMPMCUSRG-REPLKXPHSA-N 2 2 342.524 1.316 20 0 EDADLP COC[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000265818237 442933267 /nfs/dbraw/zinc/93/32/67/442933267.db2.gz RHBOABHYTFAMGO-MRXNPFEDSA-N 2 2 332.448 1.089 20 0 EDADLP COC[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000265818237 442933271 /nfs/dbraw/zinc/93/32/71/442933271.db2.gz RHBOABHYTFAMGO-MRXNPFEDSA-N 2 2 332.448 1.089 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000265823431 442934901 /nfs/dbraw/zinc/93/49/01/442934901.db2.gz IVBARYSUYVAZJG-UHFFFAOYSA-N 2 2 330.432 1.668 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000265823431 442934905 /nfs/dbraw/zinc/93/49/05/442934905.db2.gz IVBARYSUYVAZJG-UHFFFAOYSA-N 2 2 330.432 1.668 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N(C)CCC[NH+](C)C)c[nH+]2)CCO1 ZINC000185330818 318543803 /nfs/dbraw/zinc/54/38/03/318543803.db2.gz FWQUOVPDTVDVHZ-HNNXBMFYSA-N 2 2 349.479 1.400 20 0 EDADLP O=C(C[NH2+][C@H](CO)c1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000183627112 442947642 /nfs/dbraw/zinc/94/76/42/442947642.db2.gz ASJJSKCRVDLETK-GOSISDBHSA-N 2 2 343.427 1.247 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCn1cc[nH+]c1 ZINC000265921754 442969818 /nfs/dbraw/zinc/96/98/18/442969818.db2.gz CIFNAFFBTSXILP-KRWDZBQOSA-N 2 2 341.459 1.600 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[C@@H]1[NH+](C)C ZINC000268411065 442979368 /nfs/dbraw/zinc/97/93/68/442979368.db2.gz URCQQJWZOXLLSN-ZBFHGGJFSA-N 2 2 331.464 1.773 20 0 EDADLP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266034652 442996576 /nfs/dbraw/zinc/99/65/76/442996576.db2.gz TYGLVLBGVUWXCT-MRXNPFEDSA-N 2 2 328.460 1.770 20 0 EDADLP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266034652 442996579 /nfs/dbraw/zinc/99/65/79/442996579.db2.gz TYGLVLBGVUWXCT-MRXNPFEDSA-N 2 2 328.460 1.770 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249776270 443005103 /nfs/dbraw/zinc/00/51/03/443005103.db2.gz NCBVMOXCMODLIZ-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249776270 443005108 /nfs/dbraw/zinc/00/51/08/443005108.db2.gz NCBVMOXCMODLIZ-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc(CC)cc(=O)[nH]2)[C@@H](C)C1 ZINC000189993439 443044368 /nfs/dbraw/zinc/04/43/68/443044368.db2.gz QIHTWRRYIDFCJQ-HOCLYGCPSA-N 2 2 336.480 1.971 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc(CC)cc(=O)[nH]2)[C@@H](C)C1 ZINC000189993439 443044372 /nfs/dbraw/zinc/04/43/72/443044372.db2.gz QIHTWRRYIDFCJQ-HOCLYGCPSA-N 2 2 336.480 1.971 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249776267 443004512 /nfs/dbraw/zinc/00/45/12/443004512.db2.gz NCBVMOXCMODLIZ-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249776267 443004516 /nfs/dbraw/zinc/00/45/16/443004516.db2.gz NCBVMOXCMODLIZ-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000268627876 443056740 /nfs/dbraw/zinc/05/67/40/443056740.db2.gz NSFXIMFKAGLGIN-UHFFFAOYSA-N 2 2 338.415 1.835 20 0 EDADLP CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000190541145 443131963 /nfs/dbraw/zinc/13/19/63/443131963.db2.gz VTFHUTVQRYSWBS-KRWDZBQOSA-N 2 2 346.537 1.636 20 0 EDADLP Cc1nc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c(C)c(C)[nH+]1 ZINC000255961368 443114889 /nfs/dbraw/zinc/11/48/89/443114889.db2.gz DNGJQQKEHLYHOP-SFHVURJKSA-N 2 2 347.507 1.633 20 0 EDADLP Cc1nc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c(C)c(C)[nH+]1 ZINC000255961368 443114891 /nfs/dbraw/zinc/11/48/91/443114891.db2.gz DNGJQQKEHLYHOP-SFHVURJKSA-N 2 2 347.507 1.633 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000268854739 443128614 /nfs/dbraw/zinc/12/86/14/443128614.db2.gz CLXFPKOBLCISTG-UHFFFAOYSA-N 2 2 349.475 1.024 20 0 EDADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000237896168 443186966 /nfs/dbraw/zinc/18/69/66/443186966.db2.gz BVLVTXGYCYYRGU-IAGOWNOFSA-N 2 2 346.475 1.832 20 0 EDADLP CCN(C)C(=O)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000185179668 443155407 /nfs/dbraw/zinc/15/54/07/443155407.db2.gz RBBFOCOMQVKNIX-UHFFFAOYSA-N 2 2 338.883 1.660 20 0 EDADLP [NH3+][C@@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000269189628 443227153 /nfs/dbraw/zinc/22/71/53/443227153.db2.gz VXDLXALQKKAMSC-IBGZPJMESA-N 2 2 339.439 1.949 20 0 EDADLP C[C@@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686489 443239078 /nfs/dbraw/zinc/23/90/78/443239078.db2.gz FTDPYESZJCXBCY-ZIAGYGMSSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686489 443239080 /nfs/dbraw/zinc/23/90/80/443239080.db2.gz FTDPYESZJCXBCY-ZIAGYGMSSA-N 2 2 329.448 1.765 20 0 EDADLP CN(CC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000245655030 443242128 /nfs/dbraw/zinc/24/21/28/443242128.db2.gz DHBMAKVUZVGZDI-IBGZPJMESA-N 2 2 344.503 1.750 20 0 EDADLP CN(CC[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](C)CC1 ZINC000245655030 443242132 /nfs/dbraw/zinc/24/21/32/443242132.db2.gz DHBMAKVUZVGZDI-IBGZPJMESA-N 2 2 344.503 1.750 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000245655030 443242135 /nfs/dbraw/zinc/24/21/35/443242135.db2.gz DHBMAKVUZVGZDI-IBGZPJMESA-N 2 2 344.503 1.750 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000245655030 443242137 /nfs/dbraw/zinc/24/21/37/443242137.db2.gz DHBMAKVUZVGZDI-IBGZPJMESA-N 2 2 344.503 1.750 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185493753 443208791 /nfs/dbraw/zinc/20/87/91/443208791.db2.gz FMXHJQIFKSCTEK-UHFFFAOYSA-N 2 2 330.407 1.968 20 0 EDADLP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000262889186 443215826 /nfs/dbraw/zinc/21/58/26/443215826.db2.gz ZWJZLHIROIUHQM-UKRRQHHQSA-N 2 2 328.420 1.898 20 0 EDADLP C[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)[NH+]1CCOCC1 ZINC000269249167 443250375 /nfs/dbraw/zinc/25/03/75/443250375.db2.gz WXVWTQDIXPYBPC-OAHLLOKOSA-N 2 2 344.459 1.441 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cccc3nsnc32)C[C@@H]1C[NH3+] ZINC000397333926 319134270 /nfs/dbraw/zinc/13/42/70/319134270.db2.gz SFPJJMXQEUBJKD-UTUOFQBUSA-N 2 2 333.461 1.935 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cccc3nsnc32)C[C@@H]1C[NH3+] ZINC000397333926 319134273 /nfs/dbraw/zinc/13/42/73/319134273.db2.gz SFPJJMXQEUBJKD-UTUOFQBUSA-N 2 2 333.461 1.935 20 0 EDADLP Cc1cc(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)ccc1C[NH+](C)C ZINC000411142165 319167964 /nfs/dbraw/zinc/16/79/64/319167964.db2.gz KFZDYFVGLPAESN-CQSZACIVSA-N 2 2 343.431 1.397 20 0 EDADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000269255282 443253085 /nfs/dbraw/zinc/25/30/85/443253085.db2.gz JGIKWSBDWZJUDC-SFHVURJKSA-N 2 2 329.444 1.024 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)CC[N@H+](C)C1 ZINC000413904346 319299524 /nfs/dbraw/zinc/29/95/24/319299524.db2.gz PGRFNYGICZIHGT-DOTOQJQBSA-N 2 2 347.459 1.070 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)CC[N@@H+](C)C1 ZINC000413904346 319299526 /nfs/dbraw/zinc/29/95/26/319299526.db2.gz PGRFNYGICZIHGT-DOTOQJQBSA-N 2 2 347.459 1.070 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH+](C)C1 ZINC000413904346 319299527 /nfs/dbraw/zinc/29/95/27/319299527.db2.gz PGRFNYGICZIHGT-DOTOQJQBSA-N 2 2 347.459 1.070 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC[NH+](C)C1 ZINC000413904346 319299529 /nfs/dbraw/zinc/29/95/29/319299529.db2.gz PGRFNYGICZIHGT-DOTOQJQBSA-N 2 2 347.459 1.070 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000414674824 319339776 /nfs/dbraw/zinc/33/97/76/319339776.db2.gz FGRJCHCSAOGLRT-KURKYZTESA-N 2 2 338.540 1.482 20 0 EDADLP C[C@@H](c1ccc(NC(=O)NCC(F)(F)C[NH3+])cc1)[NH+]1CCOCC1 ZINC000415177832 319347519 /nfs/dbraw/zinc/34/75/19/319347519.db2.gz HQGURNPDHWLFTK-LBPRGKRZSA-N 2 2 342.390 1.795 20 0 EDADLP [NH3+]Cc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000415974348 319386558 /nfs/dbraw/zinc/38/65/58/319386558.db2.gz KTBIFVHTEFVKOC-QGZVFWFLSA-N 2 2 332.448 1.864 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C(F)(F)F ZINC000415998810 319388795 /nfs/dbraw/zinc/38/87/95/319388795.db2.gz VANYNJZUKYEBCV-CYBMUJFWSA-N 2 2 341.337 1.951 20 0 EDADLP C[NH+](C)[C@@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000416168844 319396726 /nfs/dbraw/zinc/39/67/26/319396726.db2.gz ARGSXMDYHMKBDG-IBGZPJMESA-N 3 2 346.519 1.822 20 0 EDADLP COC(=O)c1ccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nn1 ZINC000269298508 443271928 /nfs/dbraw/zinc/27/19/28/443271928.db2.gz BFMUJOJCAPIXDF-UHFFFAOYSA-N 2 2 347.463 1.258 20 0 EDADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266877078 443276277 /nfs/dbraw/zinc/27/62/77/443276277.db2.gz ZMNZDTIUJKRVMO-INIZCTEOSA-N 2 2 331.460 1.543 20 0 EDADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266877078 443276280 /nfs/dbraw/zinc/27/62/80/443276280.db2.gz ZMNZDTIUJKRVMO-INIZCTEOSA-N 2 2 331.460 1.543 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000416885987 319469209 /nfs/dbraw/zinc/46/92/09/319469209.db2.gz NBFAYLWZCBLIAB-QZTJIDSGSA-N 2 2 346.475 1.501 20 0 EDADLP COc1ccc([C@@H](NC(=O)N2CC[NH2+]C[C@H]2C)c2[nH+]ccn2C)cc1 ZINC000416905493 319470865 /nfs/dbraw/zinc/47/08/65/319470865.db2.gz JPTZEBGWJIOAAJ-CZUORRHYSA-N 2 2 343.431 1.521 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000416915874 319473748 /nfs/dbraw/zinc/47/37/48/319473748.db2.gz IICOPRYLSHJMOP-HUUCEWRRSA-N 2 2 331.395 1.781 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416916349 319473786 /nfs/dbraw/zinc/47/37/86/319473786.db2.gz QHIXOAHEDUUPCU-KCXAZCMYSA-N 2 2 345.422 1.946 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000416944700 319481545 /nfs/dbraw/zinc/48/15/45/319481545.db2.gz DKWNPRJUACDOSI-RDJZCZTQSA-N 2 2 341.459 1.914 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)c2cc1C ZINC000264559234 443326533 /nfs/dbraw/zinc/32/65/33/443326533.db2.gz NYSXJENSRBMPAW-BBRMVZONSA-N 2 2 332.448 1.504 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420366788 319610837 /nfs/dbraw/zinc/61/08/37/319610837.db2.gz MINOPXYGRNNVEC-MZMPZRCHSA-N 2 2 333.476 1.775 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)NCc2cn3c([nH+]2)CCCC3)CCSC1 ZINC000267252738 443394022 /nfs/dbraw/zinc/39/40/22/443394022.db2.gz ZYEBKVALGIBEQB-MRXNPFEDSA-N 2 2 337.493 1.456 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000282639309 443396029 /nfs/dbraw/zinc/39/60/29/443396029.db2.gz BMBMMMQKERMHDK-YJBOKZPZSA-N 2 2 349.450 1.752 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000282639309 443396035 /nfs/dbraw/zinc/39/60/35/443396035.db2.gz BMBMMMQKERMHDK-YJBOKZPZSA-N 2 2 349.450 1.752 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)[NH+]1CCSCC1 ZINC000269719883 443410504 /nfs/dbraw/zinc/41/05/04/443410504.db2.gz XATXNNKHXQWQSU-HNNXBMFYSA-N 2 2 344.484 1.985 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccnn1C ZINC000278808039 443448319 /nfs/dbraw/zinc/44/83/19/443448319.db2.gz RUFFDAAUNFAVMJ-SZMVWBNQSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccnn1C ZINC000278808039 443448324 /nfs/dbraw/zinc/44/83/24/443448324.db2.gz RUFFDAAUNFAVMJ-SZMVWBNQSA-N 2 2 328.460 1.954 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc(C)[nH+]1 ZINC000422586804 319719268 /nfs/dbraw/zinc/71/92/68/319719268.db2.gz GWFYYHWCXGQSTF-KRWDZBQOSA-N 2 2 344.459 1.401 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000422698095 319733008 /nfs/dbraw/zinc/73/30/08/319733008.db2.gz XMNLBAYURZIPRW-HOCLYGCPSA-N 2 2 335.448 1.010 20 0 EDADLP COc1ccc(CC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c(OC)c1OC ZINC000422701188 319733583 /nfs/dbraw/zinc/73/35/83/319733583.db2.gz IASOGCVHXFWQRL-ZFWWWQNUSA-N 2 2 338.448 1.612 20 0 EDADLP C[C@@H](C[NH2+]CCN1C(=O)c2ccccc2C1=O)[NH+]1CCC(C)CC1 ZINC000278882483 443471991 /nfs/dbraw/zinc/47/19/91/443471991.db2.gz OGNWBSMUOCGQJP-HNNXBMFYSA-N 2 2 329.444 1.993 20 0 EDADLP CC(C)(C(N)=O)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271431933 443504113 /nfs/dbraw/zinc/50/41/13/443504113.db2.gz PYSJSYAKKWDBBI-QGZVFWFLSA-N 2 2 330.476 1.142 20 0 EDADLP CC(C)(C(N)=O)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271431933 443504115 /nfs/dbraw/zinc/50/41/15/443504115.db2.gz PYSJSYAKKWDBBI-QGZVFWFLSA-N 2 2 330.476 1.142 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000423809742 319814848 /nfs/dbraw/zinc/81/48/48/319814848.db2.gz MOBOTUYWLOCVPF-SFHVURJKSA-N 2 2 347.459 1.360 20 0 EDADLP Cn1cc[nH+]c1CN(Cc1ncc(Cl)n1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000283241318 443571463 /nfs/dbraw/zinc/57/14/63/443571463.db2.gz JJNXCHIRBSZWLS-CYBMUJFWSA-N 2 2 348.882 1.951 20 0 EDADLP COc1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)cc(OC)c1OC ZINC000430543218 319932136 /nfs/dbraw/zinc/93/21/36/319932136.db2.gz DPRZXVMFWHAEBL-KRWDZBQOSA-N 2 2 337.420 1.368 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2cn3cc(C)ccc3[nH+]2)[N@@H+](C)C1 ZINC000286113610 443648452 /nfs/dbraw/zinc/64/84/52/443648452.db2.gz JCMPNCJWJCPRAA-HOTGVXAUSA-N 2 2 345.447 1.503 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cn2c1 ZINC000436069634 320019116 /nfs/dbraw/zinc/01/91/16/320019116.db2.gz YVSAMIFKCCDRNI-INIZCTEOSA-N 2 2 329.448 1.462 20 0 EDADLP Cc1ccc2nc(C[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cn2c1 ZINC000436069634 320019117 /nfs/dbraw/zinc/01/91/17/320019117.db2.gz YVSAMIFKCCDRNI-INIZCTEOSA-N 2 2 329.448 1.462 20 0 EDADLP COC[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000446760487 320133998 /nfs/dbraw/zinc/13/39/98/320133998.db2.gz UBYOFTHBGLPMRC-SFHVURJKSA-N 2 2 347.507 1.784 20 0 EDADLP CCC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000449224788 320179694 /nfs/dbraw/zinc/17/96/94/320179694.db2.gz MSBWWVDWDCGAQC-ZWKOTPCHSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1[nH]c2ccc(NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)cc2[nH+]1 ZINC000449221513 320179786 /nfs/dbraw/zinc/17/97/86/320179786.db2.gz TXGGELKCSTURDZ-GFCCVEGCSA-N 2 2 325.376 1.467 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1CCC[N@@H+]1CCCO ZINC000449385003 320186087 /nfs/dbraw/zinc/18/60/87/320186087.db2.gz DDCIPMBEEDRGOD-GOSISDBHSA-N 2 2 329.448 1.512 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1CCC[N@H+]1CCCO ZINC000449385003 320186089 /nfs/dbraw/zinc/18/60/89/320186089.db2.gz DDCIPMBEEDRGOD-GOSISDBHSA-N 2 2 329.448 1.512 20 0 EDADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394263 320187863 /nfs/dbraw/zinc/18/78/63/320187863.db2.gz NKIUZNFOYZONAS-IEBWSBKVSA-N 2 2 347.503 1.560 20 0 EDADLP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394263 320187864 /nfs/dbraw/zinc/18/78/64/320187864.db2.gz NKIUZNFOYZONAS-IEBWSBKVSA-N 2 2 347.503 1.560 20 0 EDADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449396828 320188158 /nfs/dbraw/zinc/18/81/58/320188158.db2.gz SYBIEXVNXGFWTF-SJORKVTESA-N 2 2 325.497 1.604 20 0 EDADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449396828 320188160 /nfs/dbraw/zinc/18/81/60/320188160.db2.gz SYBIEXVNXGFWTF-SJORKVTESA-N 2 2 325.497 1.604 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccccc1-n1ccnn1 ZINC000453261607 320261084 /nfs/dbraw/zinc/26/10/84/320261084.db2.gz KBMNMCOISYJTHS-HZPDHXFCSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccccc1-n1ccnn1 ZINC000453261607 320261085 /nfs/dbraw/zinc/26/10/85/320261085.db2.gz KBMNMCOISYJTHS-HZPDHXFCSA-N 2 2 329.448 1.765 20 0 EDADLP Cc1cc(C)c(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c[nH+]1 ZINC000454608222 320291026 /nfs/dbraw/zinc/29/10/26/320291026.db2.gz DRZLGJFYTYWNLR-CQSZACIVSA-N 2 2 333.480 1.381 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000456532391 320309735 /nfs/dbraw/zinc/30/97/35/320309735.db2.gz PXKVKBBYQNZNMZ-MRXNPFEDSA-N 2 2 347.507 1.575 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000456981435 320315861 /nfs/dbraw/zinc/31/58/61/320315861.db2.gz FORDIYMIEUIIIJ-GOSISDBHSA-N 2 2 330.476 1.187 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000456981435 320315862 /nfs/dbraw/zinc/31/58/62/320315862.db2.gz FORDIYMIEUIIIJ-GOSISDBHSA-N 2 2 330.476 1.187 20 0 EDADLP C[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000457611577 320331062 /nfs/dbraw/zinc/33/10/62/320331062.db2.gz KKDUPNCYAFQZKT-CRAIPNDOSA-N 2 2 335.492 1.430 20 0 EDADLP COC[C@@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458604656 320338155 /nfs/dbraw/zinc/33/81/55/320338155.db2.gz VVBFPCGYFYYUEK-INIZCTEOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000280145127 443672584 /nfs/dbraw/zinc/67/25/84/443672584.db2.gz WULJITYWUFUUNE-JKSUJKDBSA-N 2 2 347.463 1.022 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)/C=C\C[NH+](C)C)CC2)cc(OC)c1 ZINC000492084726 320375332 /nfs/dbraw/zinc/37/53/32/320375332.db2.gz BLOPABJDRXBHND-WAYWQWQTSA-N 2 2 347.459 1.466 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000291072408 443745226 /nfs/dbraw/zinc/74/52/26/443745226.db2.gz SCUHACJKYLRPBQ-UHFFFAOYSA-N 2 2 349.450 1.820 20 0 EDADLP CCc1nocc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381536 450406887 /nfs/dbraw/zinc/40/68/87/450406887.db2.gz UBDSTIIBIYRMEA-UHFFFAOYSA-N 2 2 334.464 1.869 20 0 EDADLP CCc1nocc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381536 450406889 /nfs/dbraw/zinc/40/68/89/450406889.db2.gz UBDSTIIBIYRMEA-UHFFFAOYSA-N 2 2 334.464 1.869 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000298491448 443783046 /nfs/dbraw/zinc/78/30/46/443783046.db2.gz MHAXUEOBRZDLOX-SFHVURJKSA-N 2 2 331.460 1.488 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000298491448 443783049 /nfs/dbraw/zinc/78/30/49/443783049.db2.gz MHAXUEOBRZDLOX-SFHVURJKSA-N 2 2 331.460 1.488 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000298491448 443783055 /nfs/dbraw/zinc/78/30/55/443783055.db2.gz MHAXUEOBRZDLOX-SFHVURJKSA-N 2 2 331.460 1.488 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000298491448 443783059 /nfs/dbraw/zinc/78/30/59/443783059.db2.gz MHAXUEOBRZDLOX-SFHVURJKSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000298608664 443815946 /nfs/dbraw/zinc/81/59/46/443815946.db2.gz ZTZXACJPJBEGRI-ROUUACIJSA-N 2 2 347.503 1.970 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000281107750 443821235 /nfs/dbraw/zinc/82/12/35/443821235.db2.gz HFCZDLVAYFUGIR-INIZCTEOSA-N 2 2 342.447 1.527 20 0 EDADLP CNC(=O)[C@]1(C)CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000281178155 443840657 /nfs/dbraw/zinc/84/06/57/443840657.db2.gz QSEXDIYJAAQKQP-HNAYVOBHSA-N 2 2 344.459 1.472 20 0 EDADLP CNC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000281178155 443840662 /nfs/dbraw/zinc/84/06/62/443840662.db2.gz QSEXDIYJAAQKQP-HNAYVOBHSA-N 2 2 344.459 1.472 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000298700804 443842480 /nfs/dbraw/zinc/84/24/80/443842480.db2.gz WLKPQCJMZSUWLR-QGZVFWFLSA-N 2 2 332.448 1.017 20 0 EDADLP C[N@@H+]1CCCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000298707827 443845627 /nfs/dbraw/zinc/84/56/27/443845627.db2.gz BDEHMQLIVKTOAF-SFHVURJKSA-N 2 2 346.475 1.407 20 0 EDADLP C[N@H+]1CCCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000298707827 443845629 /nfs/dbraw/zinc/84/56/29/443845629.db2.gz BDEHMQLIVKTOAF-SFHVURJKSA-N 2 2 346.475 1.407 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc(OC)c1OC ZINC000298718734 443848765 /nfs/dbraw/zinc/84/87/65/443848765.db2.gz KGCTVNFDXNQBTL-UKRRQHHQSA-N 2 2 338.448 1.820 20 0 EDADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCN1C(=O)CNC1=O ZINC000284987779 443809925 /nfs/dbraw/zinc/80/99/25/443809925.db2.gz KYDZIWYTSBEQMO-QGZVFWFLSA-N 2 2 346.475 1.675 20 0 EDADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCN1C(=O)CNC1=O ZINC000284987779 443809930 /nfs/dbraw/zinc/80/99/30/443809930.db2.gz KYDZIWYTSBEQMO-QGZVFWFLSA-N 2 2 346.475 1.675 20 0 EDADLP CCCNC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285345777 443949794 /nfs/dbraw/zinc/94/97/94/443949794.db2.gz DEWRLDAWUUJUQG-UHFFFAOYSA-N 2 2 332.492 1.262 20 0 EDADLP CCCNC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285345777 443949797 /nfs/dbraw/zinc/94/97/97/443949797.db2.gz DEWRLDAWUUJUQG-UHFFFAOYSA-N 2 2 332.492 1.262 20 0 EDADLP CCC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000293041897 443910284 /nfs/dbraw/zinc/91/02/84/443910284.db2.gz JYKPWZGNDHFZMJ-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP COCCn1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000293060503 443915548 /nfs/dbraw/zinc/91/55/48/443915548.db2.gz SEJPLGSXPXQYAZ-LJQANCHMSA-N 2 2 344.459 1.038 20 0 EDADLP COCCn1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000293060503 443915553 /nfs/dbraw/zinc/91/55/53/443915553.db2.gz SEJPLGSXPXQYAZ-LJQANCHMSA-N 2 2 344.459 1.038 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000293066542 443916106 /nfs/dbraw/zinc/91/61/06/443916106.db2.gz NFEYCXHSUPQXKX-HOTGVXAUSA-N 2 2 342.447 1.612 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000293066542 443916109 /nfs/dbraw/zinc/91/61/09/443916109.db2.gz NFEYCXHSUPQXKX-HOTGVXAUSA-N 2 2 342.447 1.612 20 0 EDADLP CN1CCN(c2cc(NCc3ccc4c[nH+]cn4c3)[nH+]cn2)CC1=O ZINC000298984464 443920501 /nfs/dbraw/zinc/92/05/01/443920501.db2.gz RCFIQKNILUAIIH-UHFFFAOYSA-N 2 2 337.387 1.015 20 0 EDADLP CN1CCN(c2cc(NCc3ccc4c[nH+]cn4c3)nc[nH+]2)CC1=O ZINC000298984464 443920506 /nfs/dbraw/zinc/92/05/06/443920506.db2.gz RCFIQKNILUAIIH-UHFFFAOYSA-N 2 2 337.387 1.015 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)nc12 ZINC000293117294 443928825 /nfs/dbraw/zinc/92/88/25/443928825.db2.gz YWWDVFORBHIDCN-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)nc12 ZINC000293117294 443928830 /nfs/dbraw/zinc/92/88/30/443928830.db2.gz YWWDVFORBHIDCN-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)nc12 ZINC000293117294 443928834 /nfs/dbraw/zinc/92/88/34/443928834.db2.gz YWWDVFORBHIDCN-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)nc12 ZINC000293117294 443928837 /nfs/dbraw/zinc/92/88/37/443928837.db2.gz YWWDVFORBHIDCN-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285466731 443995165 /nfs/dbraw/zinc/99/51/65/443995165.db2.gz ANJWQKULABUZRA-HOTGVXAUSA-N 2 2 337.464 1.717 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285466731 443995170 /nfs/dbraw/zinc/99/51/70/443995170.db2.gz ANJWQKULABUZRA-HOTGVXAUSA-N 2 2 337.464 1.717 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285466731 443995173 /nfs/dbraw/zinc/99/51/73/443995173.db2.gz ANJWQKULABUZRA-HOTGVXAUSA-N 2 2 337.464 1.717 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285466731 443995179 /nfs/dbraw/zinc/99/51/79/443995179.db2.gz ANJWQKULABUZRA-HOTGVXAUSA-N 2 2 337.464 1.717 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548656887 320890473 /nfs/dbraw/zinc/89/04/73/320890473.db2.gz WVYJBVIXRLBDOQ-HUUCEWRRSA-N 2 2 342.447 1.831 20 0 EDADLP CC(C)n1cc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000557349489 321003081 /nfs/dbraw/zinc/00/30/81/321003081.db2.gz DJKYKPAULVEBTL-HNNXBMFYSA-N 2 2 330.436 1.478 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)no1 ZINC000563092846 321094685 /nfs/dbraw/zinc/09/46/85/321094685.db2.gz SJPYFYRXDDDVGW-CQSZACIVSA-N 2 2 343.431 1.370 20 0 EDADLP CN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1(C[NH3+])CCC1 ZINC000563215663 321101453 /nfs/dbraw/zinc/10/14/53/321101453.db2.gz MCKYBMJPJPXTHA-UHFFFAOYSA-N 2 2 336.505 1.206 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H](C)[NH+]2CC(C)C2)cc1 ZINC000565169338 321172158 /nfs/dbraw/zinc/17/21/58/321172158.db2.gz BWRAKRNNYGZZMU-PKOBYXMFSA-N 2 2 345.487 1.825 20 0 EDADLP CCOc1ccccc1CC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000565299825 321180293 /nfs/dbraw/zinc/18/02/93/321180293.db2.gz LVHYMHNLIAKUGN-NUJGCVRESA-N 2 2 336.476 1.688 20 0 EDADLP OCCNc1nc(NC2CC[NH+](C3CCC3)CC2)[nH+]c2ccccc21 ZINC000565697718 321198232 /nfs/dbraw/zinc/19/82/32/321198232.db2.gz DQZZSPDXEADAFK-UHFFFAOYSA-N 2 2 341.459 1.307 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@@H]([NH3+])c3cscn3)CC2)nc(C)[nH+]1 ZINC000566190202 321221878 /nfs/dbraw/zinc/22/18/78/321221878.db2.gz BCQBDZDWTDRKRS-HNNXBMFYSA-N 2 2 346.460 1.335 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000567696834 321253623 /nfs/dbraw/zinc/25/36/23/321253623.db2.gz IYJXFQUPRGIDDB-NZMUHZMNSA-N 2 2 334.460 1.611 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000568409261 321290806 /nfs/dbraw/zinc/29/08/06/321290806.db2.gz DGIKTFBWZYHSEU-WDEREUQCSA-N 2 2 329.326 1.858 20 0 EDADLP [NH3+]C[C@H]1CCCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000568489643 321293353 /nfs/dbraw/zinc/29/33/53/321293353.db2.gz KKRUZTRWBYFVDY-AEFFLSMTSA-N 2 2 346.475 1.440 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000568501164 321294306 /nfs/dbraw/zinc/29/43/06/321294306.db2.gz FSQOBRJCNBVWET-KVSKMBFKSA-N 2 2 348.487 1.830 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000568501164 321294307 /nfs/dbraw/zinc/29/43/07/321294307.db2.gz FSQOBRJCNBVWET-KVSKMBFKSA-N 2 2 348.487 1.830 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1)C1CC1 ZINC000289298322 444100547 /nfs/dbraw/zinc/10/05/47/444100547.db2.gz CENCKEWBDYCIKT-RTBURBONSA-N 2 2 333.476 1.105 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CN1CCOCC1)c1ccccc1)C1CC1 ZINC000289298322 444100551 /nfs/dbraw/zinc/10/05/51/444100551.db2.gz CENCKEWBDYCIKT-RTBURBONSA-N 2 2 333.476 1.105 20 0 EDADLP CC[NH+]1CCC(CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000569316605 321323651 /nfs/dbraw/zinc/32/36/51/321323651.db2.gz SMPUELAGQOEFOZ-UHFFFAOYSA-N 2 2 332.448 1.793 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000570213627 321341150 /nfs/dbraw/zinc/34/11/50/321341150.db2.gz OXUPZHYKXUHJKL-UHFFFAOYSA-N 2 2 335.452 1.207 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCc3cnccn3)c2cc1C ZINC000570625922 321351005 /nfs/dbraw/zinc/35/10/05/321351005.db2.gz RDELYWVZFBJEID-INIZCTEOSA-N 2 2 325.416 1.636 20 0 EDADLP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000571115809 321372835 /nfs/dbraw/zinc/37/28/35/321372835.db2.gz ILWZBECWELRVCB-AWEZNQCLSA-N 2 2 328.420 1.609 20 0 EDADLP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000571115809 321372836 /nfs/dbraw/zinc/37/28/36/321372836.db2.gz ILWZBECWELRVCB-AWEZNQCLSA-N 2 2 328.420 1.609 20 0 EDADLP Cc1cccc(C)c1OCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000572149005 321418142 /nfs/dbraw/zinc/41/81/42/321418142.db2.gz NFFIGWKKJYRDJB-KURKYZTESA-N 2 2 336.476 1.742 20 0 EDADLP CN(C(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1CC1 ZINC000289403457 444131401 /nfs/dbraw/zinc/13/14/01/444131401.db2.gz SGMNLAUJZWULAI-MRXNPFEDSA-N 2 2 344.459 1.756 20 0 EDADLP CN(C(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1CC1 ZINC000289403457 444131406 /nfs/dbraw/zinc/13/14/06/444131406.db2.gz SGMNLAUJZWULAI-MRXNPFEDSA-N 2 2 344.459 1.756 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1c1ccccc1 ZINC000573224554 321445272 /nfs/dbraw/zinc/44/52/72/321445272.db2.gz YGEUITHMNVMJGH-DLBZAZTESA-N 2 2 335.411 1.971 20 0 EDADLP O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573277258 321447742 /nfs/dbraw/zinc/44/77/42/321447742.db2.gz XQZNKTYBNATNQY-MRXNPFEDSA-N 2 2 325.416 1.552 20 0 EDADLP Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc[nH+]1 ZINC000301224330 444155569 /nfs/dbraw/zinc/15/55/69/444155569.db2.gz FCGMBIBIHGUGHI-UHFFFAOYSA-N 2 2 331.464 1.604 20 0 EDADLP C[C@H](c1cccc(NC(=O)N[C@H]2CCC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000574021479 321467113 /nfs/dbraw/zinc/46/71/13/321467113.db2.gz TVDWWQUWXVUROO-PBHICJAKSA-N 2 2 332.448 1.953 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000285977789 444167516 /nfs/dbraw/zinc/16/75/16/444167516.db2.gz MRVHTBQJKVSHAN-KGLIPLIRSA-N 2 2 335.452 1.310 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000285977789 444167521 /nfs/dbraw/zinc/16/75/21/444167521.db2.gz MRVHTBQJKVSHAN-KGLIPLIRSA-N 2 2 335.452 1.310 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000574328970 321479248 /nfs/dbraw/zinc/47/92/48/321479248.db2.gz VDRNFBZMQXFORT-MRXNPFEDSA-N 2 2 342.443 1.702 20 0 EDADLP C[NH+](C)Cc1cccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000285833708 444123608 /nfs/dbraw/zinc/12/36/08/444123608.db2.gz GQQKLSCSKHDWSD-HNNXBMFYSA-N 2 2 327.388 1.134 20 0 EDADLP C[NH+](C)Cc1cccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)c1 ZINC000285833708 444123612 /nfs/dbraw/zinc/12/36/12/444123612.db2.gz GQQKLSCSKHDWSD-HNNXBMFYSA-N 2 2 327.388 1.134 20 0 EDADLP CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c[nH+]1 ZINC000575970943 321537012 /nfs/dbraw/zinc/53/70/12/321537012.db2.gz AVUGWPLFVGKRLQ-UHFFFAOYSA-N 2 2 341.415 1.951 20 0 EDADLP COC(=O)COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289648824 444186463 /nfs/dbraw/zinc/18/64/63/444186463.db2.gz XGBQLHFFHIRDEE-XJKSGUPXSA-N 2 2 336.432 1.344 20 0 EDADLP COC(=O)COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000289648824 444186466 /nfs/dbraw/zinc/18/64/66/444186466.db2.gz XGBQLHFFHIRDEE-XJKSGUPXSA-N 2 2 336.432 1.344 20 0 EDADLP Cc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc(C)c1O ZINC000290142449 444247719 /nfs/dbraw/zinc/24/77/19/444247719.db2.gz VVCNKVDKXVZICM-KRWDZBQOSA-N 2 2 331.460 1.747 20 0 EDADLP Cc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc(C)c1O ZINC000290142449 444247722 /nfs/dbraw/zinc/24/77/22/444247722.db2.gz VVCNKVDKXVZICM-KRWDZBQOSA-N 2 2 331.460 1.747 20 0 EDADLP CCN(CC)c1ncc(C[N@H+](CCO)C2CC[NH+](C)CC2)s1 ZINC000305200545 444264591 /nfs/dbraw/zinc/26/45/91/444264591.db2.gz MPXPGOYNRCMEBF-UHFFFAOYSA-N 2 2 326.510 1.878 20 0 EDADLP CCN(CC)c1ncc(C[N@@H+](CCO)C2CC[NH+](C)CC2)s1 ZINC000305200545 444264592 /nfs/dbraw/zinc/26/45/92/444264592.db2.gz MPXPGOYNRCMEBF-UHFFFAOYSA-N 2 2 326.510 1.878 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)C1 ZINC000304175927 444242817 /nfs/dbraw/zinc/24/28/17/444242817.db2.gz TXRDXDQJBRXUGM-CRAIPNDOSA-N 2 2 339.430 1.710 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)C1 ZINC000304175927 444242820 /nfs/dbraw/zinc/24/28/20/444242820.db2.gz TXRDXDQJBRXUGM-CRAIPNDOSA-N 2 2 339.430 1.710 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(C)(C)n1cncn1 ZINC000290746451 444318504 /nfs/dbraw/zinc/31/85/04/444318504.db2.gz QLQNRUHFSBVJHO-YQQAZPJKSA-N 2 2 345.495 1.808 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(C)(C)n1cncn1 ZINC000290746451 444318507 /nfs/dbraw/zinc/31/85/07/444318507.db2.gz QLQNRUHFSBVJHO-YQQAZPJKSA-N 2 2 345.495 1.808 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)Cc1cn3c([nH+]1)CCCC3)C2 ZINC000577928460 321694927 /nfs/dbraw/zinc/69/49/27/321694927.db2.gz LPHHPDYGCKIZGI-AWEZNQCLSA-N 2 2 327.432 1.945 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000337672590 444344438 /nfs/dbraw/zinc/34/44/38/444344438.db2.gz DRVUHDKGHVJGSK-HNNXBMFYSA-N 2 2 345.491 1.899 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000337672590 444344442 /nfs/dbraw/zinc/34/44/42/444344442.db2.gz DRVUHDKGHVJGSK-HNNXBMFYSA-N 2 2 345.491 1.899 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000578335290 321760064 /nfs/dbraw/zinc/76/00/64/321760064.db2.gz VGCOUORICQHPHE-ZBFHGGJFSA-N 2 2 327.432 1.760 20 0 EDADLP CO[C@@H](C)CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000340256966 444374379 /nfs/dbraw/zinc/37/43/79/444374379.db2.gz ZXYRIIYUGSGOFG-HNNXBMFYSA-N 2 2 328.501 1.467 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000321585698 444336624 /nfs/dbraw/zinc/33/66/24/444336624.db2.gz JTKDQLMGRMFBQF-HOCLYGCPSA-N 2 2 330.457 1.721 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCN(CC[NH+]4CCCC4)CC3)ccn12 ZINC000578761466 321826858 /nfs/dbraw/zinc/82/68/58/321826858.db2.gz HHGJRYMOHAANLR-UHFFFAOYSA-N 2 2 341.459 1.496 20 0 EDADLP Fc1ccc(-c2cnc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000326854285 444378747 /nfs/dbraw/zinc/37/87/47/444378747.db2.gz PBGFAAAGNLTVRZ-MRXNPFEDSA-N 2 2 330.407 1.960 20 0 EDADLP COc1cc(F)cc(C[C@@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000580293810 322032234 /nfs/dbraw/zinc/03/22/34/322032234.db2.gz UZZLCHQKBCHULU-IUODEOHRSA-N 2 2 338.427 1.050 20 0 EDADLP COc1cc(F)cc(C[C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000580293810 322032235 /nfs/dbraw/zinc/03/22/35/322032235.db2.gz UZZLCHQKBCHULU-IUODEOHRSA-N 2 2 338.427 1.050 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000580396611 322044424 /nfs/dbraw/zinc/04/44/24/322044424.db2.gz SULQZPSXBOGXCK-WREIHNQOSA-N 2 2 342.505 1.356 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000580396611 322044426 /nfs/dbraw/zinc/04/44/26/322044426.db2.gz SULQZPSXBOGXCK-WREIHNQOSA-N 2 2 342.505 1.356 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000580396611 322044427 /nfs/dbraw/zinc/04/44/27/322044427.db2.gz SULQZPSXBOGXCK-WREIHNQOSA-N 2 2 342.505 1.356 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000580396611 322044429 /nfs/dbraw/zinc/04/44/29/322044429.db2.gz SULQZPSXBOGXCK-WREIHNQOSA-N 2 2 342.505 1.356 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)n1C ZINC000580726451 322088361 /nfs/dbraw/zinc/08/83/61/322088361.db2.gz UGNZAIMFMNMIGZ-HNNXBMFYSA-N 2 2 328.416 1.498 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873129 322105872 /nfs/dbraw/zinc/10/58/72/322105872.db2.gz QDJGWJCXJWLPKK-HAGHYFMRSA-N 3 2 329.488 1.838 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873129 322105875 /nfs/dbraw/zinc/10/58/75/322105875.db2.gz QDJGWJCXJWLPKK-HAGHYFMRSA-N 3 2 329.488 1.838 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000580873129 322105877 /nfs/dbraw/zinc/10/58/77/322105877.db2.gz QDJGWJCXJWLPKK-HAGHYFMRSA-N 3 2 329.488 1.838 20 0 EDADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000580873129 322105879 /nfs/dbraw/zinc/10/58/79/322105879.db2.gz QDJGWJCXJWLPKK-HAGHYFMRSA-N 3 2 329.488 1.838 20 0 EDADLP Cc1cc(C)n(-c2cccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2)n1 ZINC000580880414 322107187 /nfs/dbraw/zinc/10/71/87/322107187.db2.gz GMSZRISZFBUEPV-QGZVFWFLSA-N 2 2 342.447 1.596 20 0 EDADLP Cc1cc(C)n(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2)n1 ZINC000580880414 322107189 /nfs/dbraw/zinc/10/71/89/322107189.db2.gz GMSZRISZFBUEPV-QGZVFWFLSA-N 2 2 342.447 1.596 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-n2cncn2)cc1Cl ZINC000581005964 322123226 /nfs/dbraw/zinc/12/32/26/322123226.db2.gz KKNOMLDMYNBSAX-GXTWGEPZSA-N 2 2 335.839 1.950 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000329216464 444504043 /nfs/dbraw/zinc/50/40/43/444504043.db2.gz OMWNNMKLSXMBSZ-BRWVUGGUSA-N 2 2 345.491 1.748 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000581437016 322178019 /nfs/dbraw/zinc/17/80/19/322178019.db2.gz UUOKFDQBHDAKGH-HOCLYGCPSA-N 2 2 334.439 1.286 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000581437016 322178020 /nfs/dbraw/zinc/17/80/20/322178020.db2.gz UUOKFDQBHDAKGH-HOCLYGCPSA-N 2 2 334.439 1.286 20 0 EDADLP [NH3+]C1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCCC1 ZINC000581715911 322212392 /nfs/dbraw/zinc/21/23/92/322212392.db2.gz JDWOVIYSYURAKT-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000581969849 322239023 /nfs/dbraw/zinc/23/90/23/322239023.db2.gz ANGQNPRVRVIFGR-MRXNPFEDSA-N 2 2 348.495 1.501 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000581969849 322239025 /nfs/dbraw/zinc/23/90/25/322239025.db2.gz ANGQNPRVRVIFGR-MRXNPFEDSA-N 2 2 348.495 1.501 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000340824742 444527900 /nfs/dbraw/zinc/52/79/00/444527900.db2.gz WPBZJMYDZOBAIO-GOSISDBHSA-N 2 2 342.443 1.772 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000340824742 444527904 /nfs/dbraw/zinc/52/79/04/444527904.db2.gz WPBZJMYDZOBAIO-GOSISDBHSA-N 2 2 342.443 1.772 20 0 EDADLP C[C@@H](C(=O)OC(C)(C)C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343715321 444540865 /nfs/dbraw/zinc/54/08/65/444540865.db2.gz IODFIFZGJYPEAO-GJZGRUSLSA-N 2 2 325.497 1.817 20 0 EDADLP C[C@@H](C(=O)OC(C)(C)C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343715321 444540866 /nfs/dbraw/zinc/54/08/66/444540866.db2.gz IODFIFZGJYPEAO-GJZGRUSLSA-N 2 2 325.497 1.817 20 0 EDADLP C[C@H]1C[N@H+](CC[S@](=O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000343717882 444542396 /nfs/dbraw/zinc/54/23/96/444542396.db2.gz CBYQZCDMICOHCR-XDHUDOTRSA-N 2 2 349.544 1.895 20 0 EDADLP C[C@H]1C[N@@H+](CC[S@](=O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000343717882 444542401 /nfs/dbraw/zinc/54/24/01/444542401.db2.gz CBYQZCDMICOHCR-XDHUDOTRSA-N 2 2 349.544 1.895 20 0 EDADLP C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000338178195 444551042 /nfs/dbraw/zinc/55/10/42/444551042.db2.gz FXSDEKDTRTVWRU-HOTGVXAUSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338178195 444551043 /nfs/dbraw/zinc/55/10/43/444551043.db2.gz FXSDEKDTRTVWRU-HOTGVXAUSA-N 2 2 337.508 1.866 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000333011834 444628769 /nfs/dbraw/zinc/62/87/69/444628769.db2.gz SELPXYJDEXDNOE-WMLDXEAASA-N 2 2 349.479 1.814 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000333011834 444628772 /nfs/dbraw/zinc/62/87/72/444628772.db2.gz SELPXYJDEXDNOE-WMLDXEAASA-N 2 2 349.479 1.814 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000343778070 444585143 /nfs/dbraw/zinc/58/51/43/444585143.db2.gz IHKYNWMYOOASIJ-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000343861616 444633199 /nfs/dbraw/zinc/63/31/99/444633199.db2.gz GPFPDOFPVCBXMH-INIZCTEOSA-N 2 2 347.459 1.218 20 0 EDADLP C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@H]3CCn4cc[nH+]c4C3)n1)OC2 ZINC000329672543 444674486 /nfs/dbraw/zinc/67/44/86/444674486.db2.gz NNWFHAPLNJNLTM-OGHNNQOOSA-N 2 2 329.404 1.922 20 0 EDADLP C[C@]12CCC[N@H+]1C[C@H](c1noc([C@H]3CCn4cc[nH+]c4C3)n1)OC2 ZINC000329672543 444674488 /nfs/dbraw/zinc/67/44/88/444674488.db2.gz NNWFHAPLNJNLTM-OGHNNQOOSA-N 2 2 329.404 1.922 20 0 EDADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccc(Br)cc1F ZINC000342402428 444676598 /nfs/dbraw/zinc/67/65/98/444676598.db2.gz RPFZWKVQTLXMEG-UHFFFAOYSA-N 2 2 348.216 1.170 20 0 EDADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccc(Br)cc1F ZINC000342402428 444676603 /nfs/dbraw/zinc/67/66/03/444676603.db2.gz RPFZWKVQTLXMEG-UHFFFAOYSA-N 2 2 348.216 1.170 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[nH+]cn1 ZINC000333895637 444711422 /nfs/dbraw/zinc/71/14/22/444711422.db2.gz YGDPTVHUWRBVLN-PMPSAXMXSA-N 2 2 331.464 1.264 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc[nH+]1 ZINC000333895637 444711425 /nfs/dbraw/zinc/71/14/25/444711425.db2.gz YGDPTVHUWRBVLN-PMPSAXMXSA-N 2 2 331.464 1.264 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CC(=O)Nc2ccccc21 ZINC000333897890 444712543 /nfs/dbraw/zinc/71/25/43/444712543.db2.gz YOORHSRSUUSMAF-HOCLYGCPSA-N 2 2 342.443 1.436 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)N1CC(=O)Nc2ccccc21 ZINC000333897890 444712547 /nfs/dbraw/zinc/71/25/47/444712547.db2.gz YOORHSRSUUSMAF-HOCLYGCPSA-N 2 2 342.443 1.436 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000334027173 444751468 /nfs/dbraw/zinc/75/14/68/444751468.db2.gz HXZIGGQGFZSQDN-ZIAGYGMSSA-N 2 2 333.480 1.889 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c2[nH+]ccn21 ZINC000334064076 444767385 /nfs/dbraw/zinc/76/73/85/444767385.db2.gz CKUNJDMRIHAXSW-MCIONIFRSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c2[nH+]ccn21 ZINC000334064076 444767387 /nfs/dbraw/zinc/76/73/87/444767387.db2.gz CKUNJDMRIHAXSW-MCIONIFRSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000334082838 444774002 /nfs/dbraw/zinc/77/40/02/444774002.db2.gz LBRRLKUMJVHBHM-HZPDHXFCSA-N 2 2 335.452 1.198 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000334082838 444774003 /nfs/dbraw/zinc/77/40/03/444774003.db2.gz LBRRLKUMJVHBHM-HZPDHXFCSA-N 2 2 335.452 1.198 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NCC[NH+](C)C)cc1 ZINC000342656708 444799694 /nfs/dbraw/zinc/79/96/94/444799694.db2.gz ATBYMRUVGVYQOX-KRWDZBQOSA-N 2 2 334.464 1.229 20 0 EDADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)ccn1 ZINC000344109037 444785694 /nfs/dbraw/zinc/78/56/94/444785694.db2.gz OGZVGZSNFZFQER-UHFFFAOYSA-N 2 2 328.391 1.637 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329966468 444790482 /nfs/dbraw/zinc/79/04/82/444790482.db2.gz VPMYYFUQBUIDPG-GXTWGEPZSA-N 2 2 333.436 1.751 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329966468 444790484 /nfs/dbraw/zinc/79/04/84/444790484.db2.gz VPMYYFUQBUIDPG-GXTWGEPZSA-N 2 2 333.436 1.751 20 0 EDADLP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000344191223 444831286 /nfs/dbraw/zinc/83/12/86/444831286.db2.gz UZPLMYNGQRPTHW-SFHVURJKSA-N 2 2 346.454 1.650 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000344191223 444831289 /nfs/dbraw/zinc/83/12/89/444831289.db2.gz UZPLMYNGQRPTHW-SFHVURJKSA-N 2 2 346.454 1.650 20 0 EDADLP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000344191223 444831293 /nfs/dbraw/zinc/83/12/93/444831293.db2.gz UZPLMYNGQRPTHW-SFHVURJKSA-N 2 2 346.454 1.650 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000344191223 444831296 /nfs/dbraw/zinc/83/12/96/444831296.db2.gz UZPLMYNGQRPTHW-SFHVURJKSA-N 2 2 346.454 1.650 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@@H](CO)OC(C)(C)C3)c2cc1C ZINC000336895787 444839515 /nfs/dbraw/zinc/83/95/15/444839515.db2.gz ZNXYFOWKEPUPFT-HOTGVXAUSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@@H](CO)OC(C)(C)C3)c2cc1C ZINC000336895787 444839517 /nfs/dbraw/zinc/83/95/17/444839517.db2.gz ZNXYFOWKEPUPFT-HOTGVXAUSA-N 2 2 347.459 1.486 20 0 EDADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000342740916 444843801 /nfs/dbraw/zinc/84/38/01/444843801.db2.gz VOLCWYRSDLOZEW-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000341461263 444844495 /nfs/dbraw/zinc/84/44/95/444844495.db2.gz UYARBTJFQGEFEG-UHFFFAOYSA-N 2 2 349.479 1.682 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC[N@@H+]1C ZINC000344257827 444866688 /nfs/dbraw/zinc/86/66/88/444866688.db2.gz SITFZUJODPTRJK-RDJZCZTQSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC[N@H+]1C ZINC000344257827 444866690 /nfs/dbraw/zinc/86/66/90/444866690.db2.gz SITFZUJODPTRJK-RDJZCZTQSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000342816165 444877701 /nfs/dbraw/zinc/87/77/01/444877701.db2.gz UCKDFENGTMEFIG-HHXXYDBFSA-N 2 2 327.472 1.902 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000342816165 444877704 /nfs/dbraw/zinc/87/77/04/444877704.db2.gz UCKDFENGTMEFIG-HHXXYDBFSA-N 2 2 327.472 1.902 20 0 EDADLP CN(C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)NCCn1cc[nH+]c1 ZINC000338962113 444957199 /nfs/dbraw/zinc/95/71/99/444957199.db2.gz DBJBHVKKLDBJDM-SJORKVTESA-N 2 2 342.447 1.613 20 0 EDADLP CN(C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)NCCn1cc[nH+]c1 ZINC000338962113 444957200 /nfs/dbraw/zinc/95/72/00/444957200.db2.gz DBJBHVKKLDBJDM-SJORKVTESA-N 2 2 342.447 1.613 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344423858 444960399 /nfs/dbraw/zinc/96/03/99/444960399.db2.gz HBWZKHIBTSVFQA-IBGZPJMESA-N 2 2 340.471 1.996 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000344423858 444960400 /nfs/dbraw/zinc/96/04/00/444960400.db2.gz HBWZKHIBTSVFQA-IBGZPJMESA-N 2 2 340.471 1.996 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000344392370 444937723 /nfs/dbraw/zinc/93/77/23/444937723.db2.gz VXWRKWIFHCQLKL-INIZCTEOSA-N 2 2 339.528 1.138 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c(C)[nH+]1 ZINC000341833629 445024530 /nfs/dbraw/zinc/02/45/30/445024530.db2.gz HRHDGJIREJKPLB-OGHNNQOOSA-N 2 2 344.459 1.826 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000337272660 445010867 /nfs/dbraw/zinc/01/08/67/445010867.db2.gz ONHCHUWHFIKPHJ-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000337272660 445010871 /nfs/dbraw/zinc/01/08/71/445010871.db2.gz ONHCHUWHFIKPHJ-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000337377423 445053910 /nfs/dbraw/zinc/05/39/10/445053910.db2.gz BHXCJLCRWUIWJM-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP COCC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000337377423 445053912 /nfs/dbraw/zinc/05/39/12/445053912.db2.gz BHXCJLCRWUIWJM-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000344566327 445064480 /nfs/dbraw/zinc/06/44/80/445064480.db2.gz PUYFKGYBPIKUNE-OAHLLOKOSA-N 2 2 348.491 1.722 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000343106819 445069924 /nfs/dbraw/zinc/06/99/24/445069924.db2.gz ZBYGRZOSMDPMSJ-RBSFLKMASA-N 2 2 332.448 1.325 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000343106819 445069930 /nfs/dbraw/zinc/06/99/30/445069930.db2.gz ZBYGRZOSMDPMSJ-RBSFLKMASA-N 2 2 332.448 1.325 20 0 EDADLP CC[C@H](CSC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341915343 445070110 /nfs/dbraw/zinc/07/01/10/445070110.db2.gz IDXWWMYZWUNHPO-LSDHHAIUSA-N 2 2 342.553 1.938 20 0 EDADLP CC[C@H](CSC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341915343 445070115 /nfs/dbraw/zinc/07/01/15/445070115.db2.gz IDXWWMYZWUNHPO-LSDHHAIUSA-N 2 2 342.553 1.938 20 0 EDADLP O=C(NCC[NH+]1CCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000337416700 445070371 /nfs/dbraw/zinc/07/03/71/445070371.db2.gz ZQGACWHVGBFIGU-UHFFFAOYSA-N 2 2 332.448 1.024 20 0 EDADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000337480017 445098464 /nfs/dbraw/zinc/09/84/64/445098464.db2.gz QESBAFAULWRSJZ-ARFHVFGLSA-N 2 2 334.464 1.706 20 0 EDADLP CC[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339230717 445102198 /nfs/dbraw/zinc/10/21/98/445102198.db2.gz MMYALHVHNBOVAL-YYIAUSFCSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000339230717 445102202 /nfs/dbraw/zinc/10/22/02/445102202.db2.gz MMYALHVHNBOVAL-YYIAUSFCSA-N 2 2 325.497 1.865 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000337528176 445120866 /nfs/dbraw/zinc/12/08/66/445120866.db2.gz SQSCMUXTXNDEGG-UHFFFAOYSA-N 2 2 349.523 1.967 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339266266 445125400 /nfs/dbraw/zinc/12/54/00/445125400.db2.gz WTYJXGMSXMCWFH-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339266266 445125403 /nfs/dbraw/zinc/12/54/03/445125403.db2.gz WTYJXGMSXMCWFH-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000330868218 445173616 /nfs/dbraw/zinc/17/36/16/445173616.db2.gz YIVVKUMKQZKLOC-UHFFFAOYSA-N 2 2 331.869 1.561 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000345473298 445187480 /nfs/dbraw/zinc/18/74/80/445187480.db2.gz QVGLMMSEULYBBU-TWMKSMIVSA-N 2 2 338.496 1.364 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000344980269 445154831 /nfs/dbraw/zinc/15/48/31/445154831.db2.gz OCWGHOPBVJIPQU-GDBMZVCRSA-N 2 2 336.480 1.982 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000344980269 445154835 /nfs/dbraw/zinc/15/48/35/445154835.db2.gz OCWGHOPBVJIPQU-GDBMZVCRSA-N 2 2 336.480 1.982 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345757456 445198851 /nfs/dbraw/zinc/19/88/51/445198851.db2.gz SZBFAATXIAABPD-BRWVUGGUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345757456 445198854 /nfs/dbraw/zinc/19/88/54/445198854.db2.gz SZBFAATXIAABPD-BRWVUGGUSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000348407940 445280792 /nfs/dbraw/zinc/28/07/92/445280792.db2.gz XLFWVQUTDXSKSX-UXHICEINSA-N 2 2 349.519 1.426 20 0 EDADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000348407940 445280796 /nfs/dbraw/zinc/28/07/96/445280796.db2.gz XLFWVQUTDXSKSX-UXHICEINSA-N 2 2 349.519 1.426 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)Cc1ccnc(N)c1 ZINC000348126184 445282216 /nfs/dbraw/zinc/28/22/16/445282216.db2.gz XIYNLNBSDMXXHR-CABCVRRESA-N 2 2 332.427 1.442 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)Cc1ccnc(N)c1 ZINC000348126184 445282218 /nfs/dbraw/zinc/28/22/18/445282218.db2.gz XIYNLNBSDMXXHR-CABCVRRESA-N 2 2 332.427 1.442 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716430 445289214 /nfs/dbraw/zinc/28/92/14/445289214.db2.gz MMXJTMBSUPNKLM-ROUUACIJSA-N 2 2 338.879 1.774 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716430 445289216 /nfs/dbraw/zinc/28/92/16/445289216.db2.gz MMXJTMBSUPNKLM-ROUUACIJSA-N 2 2 338.879 1.774 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716430 445289218 /nfs/dbraw/zinc/28/92/18/445289218.db2.gz MMXJTMBSUPNKLM-ROUUACIJSA-N 2 2 338.879 1.774 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716430 445289219 /nfs/dbraw/zinc/28/92/19/445289219.db2.gz MMXJTMBSUPNKLM-ROUUACIJSA-N 2 2 338.879 1.774 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716429 445289449 /nfs/dbraw/zinc/28/94/49/445289449.db2.gz MMXJTMBSUPNKLM-QZTJIDSGSA-N 2 2 338.879 1.774 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716429 445289451 /nfs/dbraw/zinc/28/94/51/445289451.db2.gz MMXJTMBSUPNKLM-QZTJIDSGSA-N 2 2 338.879 1.774 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716429 445289455 /nfs/dbraw/zinc/28/94/55/445289455.db2.gz MMXJTMBSUPNKLM-QZTJIDSGSA-N 2 2 338.879 1.774 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716429 445289458 /nfs/dbraw/zinc/28/94/58/445289458.db2.gz MMXJTMBSUPNKLM-QZTJIDSGSA-N 2 2 338.879 1.774 20 0 EDADLP COC(=O)[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)[C@@H]1C(=O)OC ZINC000348260964 445331452 /nfs/dbraw/zinc/33/14/52/445331452.db2.gz FRMBKZDGRTXVBA-CABCVRRESA-N 2 2 337.420 1.398 20 0 EDADLP COC(=O)[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)[C@@H]1C(=O)OC ZINC000348260964 445331454 /nfs/dbraw/zinc/33/14/54/445331454.db2.gz FRMBKZDGRTXVBA-CABCVRRESA-N 2 2 337.420 1.398 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)[C@H]1Oc1ccccc1 ZINC000359639643 445351697 /nfs/dbraw/zinc/35/16/97/445351697.db2.gz OCUYDFMINSGUOO-QXCFHYIPSA-N 2 2 333.476 1.447 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[C@H]1Oc1ccccc1 ZINC000359639643 445351703 /nfs/dbraw/zinc/35/17/03/445351703.db2.gz OCUYDFMINSGUOO-QXCFHYIPSA-N 2 2 333.476 1.447 20 0 EDADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)NC1CC1 ZINC000351910833 445370821 /nfs/dbraw/zinc/37/08/21/445370821.db2.gz PYHYKLHOERSACR-UHFFFAOYSA-N 2 2 330.476 1.409 20 0 EDADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)NC1CC1 ZINC000351910833 445370827 /nfs/dbraw/zinc/37/08/27/445370827.db2.gz PYHYKLHOERSACR-UHFFFAOYSA-N 2 2 330.476 1.409 20 0 EDADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000359680189 445371920 /nfs/dbraw/zinc/37/19/20/445371920.db2.gz YVUUJCLLRGKDCD-HNNXBMFYSA-N 2 2 339.505 1.922 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000359680189 445371922 /nfs/dbraw/zinc/37/19/22/445371922.db2.gz YVUUJCLLRGKDCD-HNNXBMFYSA-N 2 2 339.505 1.922 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000359727071 445395119 /nfs/dbraw/zinc/39/51/19/445395119.db2.gz TZYLEZOMTMPLFT-UHFFFAOYSA-N 2 2 346.475 2.351 20 0 EDADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000355733537 445475569 /nfs/dbraw/zinc/47/55/69/445475569.db2.gz LLUFVXOSXGJVOK-BZUAXINKSA-N 2 2 325.497 1.580 20 0 EDADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000355733537 445475573 /nfs/dbraw/zinc/47/55/73/445475573.db2.gz LLUFVXOSXGJVOK-BZUAXINKSA-N 2 2 325.497 1.580 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000354903655 445432806 /nfs/dbraw/zinc/43/28/06/445432806.db2.gz YXYAYRNZIOIVSD-GOEBONIOSA-N 2 2 342.422 1.770 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(OC(F)F)cc1 ZINC000357109613 445434453 /nfs/dbraw/zinc/43/44/53/445434453.db2.gz WGEWRBATNLSKHP-NWDGAFQWSA-N 2 2 325.359 1.768 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(OC(F)F)cc1 ZINC000357109613 445434458 /nfs/dbraw/zinc/43/44/58/445434458.db2.gz WGEWRBATNLSKHP-NWDGAFQWSA-N 2 2 325.359 1.768 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000348900790 445434613 /nfs/dbraw/zinc/43/46/13/445434613.db2.gz MZLKNSUAYJJTRK-MSOLQXFVSA-N 2 2 337.508 1.822 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000348900790 445434617 /nfs/dbraw/zinc/43/46/17/445434617.db2.gz MZLKNSUAYJJTRK-MSOLQXFVSA-N 2 2 337.508 1.822 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362550997 445435410 /nfs/dbraw/zinc/43/54/10/445435410.db2.gz GWXRLSTXQWGLRC-VIFPVBQESA-N 2 2 342.325 1.175 20 0 EDADLP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362669374 445489073 /nfs/dbraw/zinc/48/90/73/445489073.db2.gz IRSDXLMBLRHTRN-HNNXBMFYSA-N 2 2 337.851 1.745 20 0 EDADLP COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362669374 445489079 /nfs/dbraw/zinc/48/90/79/445489079.db2.gz IRSDXLMBLRHTRN-HNNXBMFYSA-N 2 2 337.851 1.745 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000359953390 445502119 /nfs/dbraw/zinc/50/21/19/445502119.db2.gz WPPJAWBWQIFHCB-LBPRGKRZSA-N 2 2 341.402 1.992 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000362832550 445572552 /nfs/dbraw/zinc/57/25/52/445572552.db2.gz ZYCPSTKSIAVVKF-CQSZACIVSA-N 2 2 346.456 1.799 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000362832550 445572557 /nfs/dbraw/zinc/57/25/57/445572557.db2.gz ZYCPSTKSIAVVKF-CQSZACIVSA-N 2 2 346.456 1.799 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000362860933 445585092 /nfs/dbraw/zinc/58/50/92/445585092.db2.gz CNAMZAQJNUGIBV-IRXDYDNUSA-N 3 2 336.524 1.251 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000362860933 445585094 /nfs/dbraw/zinc/58/50/94/445585094.db2.gz CNAMZAQJNUGIBV-IRXDYDNUSA-N 3 2 336.524 1.251 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353468567 445615885 /nfs/dbraw/zinc/61/58/85/445615885.db2.gz OTFVXDRZSYEBBH-DLBZAZTESA-N 2 2 328.460 1.802 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000358529786 445636402 /nfs/dbraw/zinc/63/64/02/445636402.db2.gz QZLDBOPVDYFNOC-BPQIPLTHSA-N 2 2 346.475 1.231 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000358529786 445636404 /nfs/dbraw/zinc/63/64/04/445636404.db2.gz QZLDBOPVDYFNOC-BPQIPLTHSA-N 2 2 346.475 1.231 20 0 EDADLP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)cc2C1 ZINC000362984337 445638425 /nfs/dbraw/zinc/63/84/25/445638425.db2.gz ORLKOZUXHFWZSD-UHFFFAOYSA-N 2 2 342.443 1.267 20 0 EDADLP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)cc2C1 ZINC000362984337 445638427 /nfs/dbraw/zinc/63/84/27/445638427.db2.gz ORLKOZUXHFWZSD-UHFFFAOYSA-N 2 2 342.443 1.267 20 0 EDADLP Cn1ncc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1=O ZINC000363031727 445655125 /nfs/dbraw/zinc/65/51/25/445655125.db2.gz PXEFJZPGUFXIQZ-NSHDSACASA-N 2 2 325.844 1.014 20 0 EDADLP Cn1ncc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Cl)c1=O ZINC000363031727 445655128 /nfs/dbraw/zinc/65/51/28/445655128.db2.gz PXEFJZPGUFXIQZ-NSHDSACASA-N 2 2 325.844 1.014 20 0 EDADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363233208 445734236 /nfs/dbraw/zinc/73/42/36/445734236.db2.gz DDDMIHFQIVHADV-ROUUACIJSA-N 2 2 340.427 1.544 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1nc(N)c2ccccc2n1 ZINC000361084884 445748008 /nfs/dbraw/zinc/74/80/08/445748008.db2.gz BVTYCPVDMPHAKX-COXVUDFISA-N 2 2 341.459 1.896 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1nc(N)c2ccccc2n1 ZINC000361084884 445748011 /nfs/dbraw/zinc/74/80/11/445748011.db2.gz BVTYCPVDMPHAKX-COXVUDFISA-N 2 2 341.459 1.896 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353951577 445823814 /nfs/dbraw/zinc/82/38/14/445823814.db2.gz DQQVIIGSQHEXFY-HJYMDDGLSA-N 2 2 334.508 1.142 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353951577 445823818 /nfs/dbraw/zinc/82/38/18/445823818.db2.gz DQQVIIGSQHEXFY-HJYMDDGLSA-N 2 2 334.508 1.142 20 0 EDADLP C[C@H]1C[NH+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353951577 445823822 /nfs/dbraw/zinc/82/38/22/445823822.db2.gz DQQVIIGSQHEXFY-HJYMDDGLSA-N 2 2 334.508 1.142 20 0 EDADLP C[C@H]1C[NH+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353951577 445823828 /nfs/dbraw/zinc/82/38/28/445823828.db2.gz DQQVIIGSQHEXFY-HJYMDDGLSA-N 2 2 334.508 1.142 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000363490522 445828458 /nfs/dbraw/zinc/82/84/58/445828458.db2.gz REMWXQUDBAFVTM-DLBZAZTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000363348375 445775706 /nfs/dbraw/zinc/77/57/06/445775706.db2.gz GCRYBSSTIGMQNY-CRAIPNDOSA-N 2 2 330.476 1.812 20 0 EDADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000363348375 445775711 /nfs/dbraw/zinc/77/57/11/445775711.db2.gz GCRYBSSTIGMQNY-CRAIPNDOSA-N 2 2 330.476 1.812 20 0 EDADLP [NH3+]C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000358859311 445815427 /nfs/dbraw/zinc/81/54/27/445815427.db2.gz BTWLJXZFRCIRBZ-INIZCTEOSA-N 2 2 328.391 1.612 20 0 EDADLP COC[C@H](O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000363534350 445847627 /nfs/dbraw/zinc/84/76/27/445847627.db2.gz VMQMPNAKLCYMLE-MRXNPFEDSA-N 2 2 336.480 1.816 20 0 EDADLP COC[C@H](O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000363534350 445847629 /nfs/dbraw/zinc/84/76/29/445847629.db2.gz VMQMPNAKLCYMLE-MRXNPFEDSA-N 2 2 336.480 1.816 20 0 EDADLP CC[C@@H](C)[C@@H](OC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000356568256 445863016 /nfs/dbraw/zinc/86/30/16/445863016.db2.gz SHROIGLXQBSRBS-FNNOIMFVSA-N 2 2 337.508 1.817 20 0 EDADLP CC[C@@H](C)[C@@H](OC)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000356568256 445863021 /nfs/dbraw/zinc/86/30/21/445863021.db2.gz SHROIGLXQBSRBS-FNNOIMFVSA-N 2 2 337.508 1.817 20 0 EDADLP CCOCC(C)(C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358961159 445865542 /nfs/dbraw/zinc/86/55/42/445865542.db2.gz UMCVAOYCTIPUNA-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358961492 445866013 /nfs/dbraw/zinc/86/60/13/445866013.db2.gz VHLSPCIYYSFZFH-MRXNPFEDSA-N 3 2 341.544 1.432 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358961492 445866018 /nfs/dbraw/zinc/86/60/18/445866018.db2.gz VHLSPCIYYSFZFH-MRXNPFEDSA-N 3 2 341.544 1.432 20 0 EDADLP C[NH+](C)[C@@H](CNc1ncnc2c1C[N@H+](C)CC2)Cc1ccccc1 ZINC000356673645 445928875 /nfs/dbraw/zinc/92/88/75/445928875.db2.gz REXFYNYKBGBWQB-MRXNPFEDSA-N 2 2 325.460 2.049 20 0 EDADLP C[NH+](C)[C@@H](CNc1ncnc2c1C[N@@H+](C)CC2)Cc1ccccc1 ZINC000356673645 445928878 /nfs/dbraw/zinc/92/88/78/445928878.db2.gz REXFYNYKBGBWQB-MRXNPFEDSA-N 2 2 325.460 2.049 20 0 EDADLP CO[C@H]1CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@H](C[NH3+])C1 ZINC000359041562 445904491 /nfs/dbraw/zinc/90/44/91/445904491.db2.gz KDDSSSWRIMHWGA-GJZGRUSLSA-N 2 2 334.420 1.163 20 0 EDADLP CO[C@H]1CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@H](C[NH3+])C1 ZINC000359041562 445904496 /nfs/dbraw/zinc/90/44/96/445904496.db2.gz KDDSSSWRIMHWGA-GJZGRUSLSA-N 2 2 334.420 1.163 20 0 EDADLP CC(C)Cn1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000359042998 445904823 /nfs/dbraw/zinc/90/48/23/445904823.db2.gz UPDOIGASWZQBJF-UHFFFAOYSA-N 2 2 335.496 1.637 20 0 EDADLP CC(C)Cn1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000359042998 445904828 /nfs/dbraw/zinc/90/48/28/445904828.db2.gz UPDOIGASWZQBJF-UHFFFAOYSA-N 2 2 335.496 1.637 20 0 EDADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000356639756 445905170 /nfs/dbraw/zinc/90/51/70/445905170.db2.gz HLIGFLPRQJPCSE-MJGOQNOKSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000356639756 445905177 /nfs/dbraw/zinc/90/51/77/445905177.db2.gz HLIGFLPRQJPCSE-MJGOQNOKSA-N 2 2 349.519 1.964 20 0 EDADLP CO[C@@H]1CC[N@H+](Cc2ccc(OCc3nccn3C)cc2)[C@H](C[NH3+])C1 ZINC000359046261 445908937 /nfs/dbraw/zinc/90/89/37/445908937.db2.gz RGFHIOLOKCWAJF-FUHWJXTLSA-N 2 2 344.459 1.937 20 0 EDADLP CO[C@@H]1CC[N@@H+](Cc2ccc(OCc3nccn3C)cc2)[C@H](C[NH3+])C1 ZINC000359046261 445908943 /nfs/dbraw/zinc/90/89/43/445908943.db2.gz RGFHIOLOKCWAJF-FUHWJXTLSA-N 2 2 344.459 1.937 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000364375582 445915514 /nfs/dbraw/zinc/91/55/14/445915514.db2.gz AWPWQPQYFIEDST-DLBZAZTESA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000364375582 445915520 /nfs/dbraw/zinc/91/55/20/445915520.db2.gz AWPWQPQYFIEDST-DLBZAZTESA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)c1 ZINC000361751637 445916058 /nfs/dbraw/zinc/91/60/58/445916058.db2.gz OFHADDJCZSKLKY-HZPDHXFCSA-N 2 2 332.448 1.419 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)c1 ZINC000361751637 445916067 /nfs/dbraw/zinc/91/60/67/445916067.db2.gz OFHADDJCZSKLKY-HZPDHXFCSA-N 2 2 332.448 1.419 20 0 EDADLP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000365943212 445920059 /nfs/dbraw/zinc/92/00/59/445920059.db2.gz SSIZMSQEWDKZAH-LJQANCHMSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000365943212 445920064 /nfs/dbraw/zinc/92/00/64/445920064.db2.gz SSIZMSQEWDKZAH-LJQANCHMSA-N 2 2 345.487 1.486 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC000361763384 445923895 /nfs/dbraw/zinc/92/38/95/445923895.db2.gz HYMKNKQRFYJUKH-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC000361763384 445923898 /nfs/dbraw/zinc/92/38/98/445923898.db2.gz HYMKNKQRFYJUKH-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H]1C ZINC000361763384 445923907 /nfs/dbraw/zinc/92/39/07/445923907.db2.gz HYMKNKQRFYJUKH-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H]1C ZINC000361763384 445923912 /nfs/dbraw/zinc/92/39/12/445923912.db2.gz HYMKNKQRFYJUKH-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1cc2c(N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)nccn2n1 ZINC000364781023 445954010 /nfs/dbraw/zinc/95/40/10/445954010.db2.gz YFHLJFWNUUGMMG-OAHLLOKOSA-N 2 2 328.464 1.642 20 0 EDADLP Cc1cc2c(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)nccn2n1 ZINC000364781023 445954016 /nfs/dbraw/zinc/95/40/16/445954016.db2.gz YFHLJFWNUUGMMG-OAHLLOKOSA-N 2 2 328.464 1.642 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CCO2)CC1 ZINC000369186181 445976908 /nfs/dbraw/zinc/97/69/08/445976908.db2.gz AMDZKXDYQBZQCB-GOSISDBHSA-N 2 2 331.460 1.070 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CCO2)CC1 ZINC000369186181 445976916 /nfs/dbraw/zinc/97/69/16/445976916.db2.gz AMDZKXDYQBZQCB-GOSISDBHSA-N 2 2 331.460 1.070 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000354224023 446019707 /nfs/dbraw/zinc/01/97/07/446019707.db2.gz MTMUEVSMRKBWCT-IRXDYDNUSA-N 2 2 333.476 1.986 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000354224023 446019715 /nfs/dbraw/zinc/01/97/15/446019715.db2.gz MTMUEVSMRKBWCT-IRXDYDNUSA-N 2 2 333.476 1.986 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000354224023 446019722 /nfs/dbraw/zinc/01/97/22/446019722.db2.gz MTMUEVSMRKBWCT-IRXDYDNUSA-N 2 2 333.476 1.986 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCOc2ccccc2)C[C@@H]1C ZINC000354224023 446019727 /nfs/dbraw/zinc/01/97/27/446019727.db2.gz MTMUEVSMRKBWCT-IRXDYDNUSA-N 2 2 333.476 1.986 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3cncc(F)c3)C2)CC1 ZINC000369266953 446031800 /nfs/dbraw/zinc/03/18/00/446031800.db2.gz NLHFIFVFVHXTIV-WOMSROEHSA-N 2 2 332.423 1.519 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/c3cncc(F)c3)C2)CC1 ZINC000369266953 446031806 /nfs/dbraw/zinc/03/18/06/446031806.db2.gz NLHFIFVFVHXTIV-WOMSROEHSA-N 2 2 332.423 1.519 20 0 EDADLP FC(F)Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000351354844 446041758 /nfs/dbraw/zinc/04/17/58/446041758.db2.gz VWSZDNJRSMNNDE-AWEZNQCLSA-N 2 2 328.407 1.692 20 0 EDADLP FC(F)Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000351354844 446041763 /nfs/dbraw/zinc/04/17/63/446041763.db2.gz VWSZDNJRSMNNDE-AWEZNQCLSA-N 2 2 328.407 1.692 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000373062991 446000963 /nfs/dbraw/zinc/00/09/63/446000963.db2.gz IUAQGCGZBOGUBO-INIZCTEOSA-N 2 2 349.479 1.422 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000369233152 446010016 /nfs/dbraw/zinc/01/00/16/446010016.db2.gz YOHSZGYSOUXBLP-HZPDHXFCSA-N 2 2 331.464 1.916 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000369233152 446010018 /nfs/dbraw/zinc/01/00/18/446010018.db2.gz YOHSZGYSOUXBLP-HZPDHXFCSA-N 2 2 331.464 1.916 20 0 EDADLP CC1CCN(C(=O)C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)CC1 ZINC000351385581 446051955 /nfs/dbraw/zinc/05/19/55/446051955.db2.gz NQMANCOCNYJVBP-GOSISDBHSA-N 2 2 337.508 1.412 20 0 EDADLP CC1CCN(C(=O)C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)CC1 ZINC000351385581 446051960 /nfs/dbraw/zinc/05/19/60/446051960.db2.gz NQMANCOCNYJVBP-GOSISDBHSA-N 2 2 337.508 1.412 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000583864334 326154618 /nfs/dbraw/zinc/15/46/18/326154618.db2.gz GPVHMMJIBFNPRK-HNNXBMFYSA-N 2 2 331.420 1.909 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000584221608 326221866 /nfs/dbraw/zinc/22/18/66/326221866.db2.gz WUGVSYJLTHLFQN-RDJZCZTQSA-N 2 2 349.454 1.079 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000584221608 326221871 /nfs/dbraw/zinc/22/18/71/326221871.db2.gz WUGVSYJLTHLFQN-RDJZCZTQSA-N 2 2 349.454 1.079 20 0 EDADLP Cc1cccc(OCC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000584222571 326222888 /nfs/dbraw/zinc/22/28/88/326222888.db2.gz QXELGISCOZHHIA-UHFFFAOYSA-N 2 2 341.459 1.948 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000584221975 326222968 /nfs/dbraw/zinc/22/29/68/326222968.db2.gz NFIGJAKCQKIHSD-BRWVUGGUSA-N 2 2 343.475 1.610 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC[C@@H]1Cc2ccccc2O1 ZINC000584232151 326225501 /nfs/dbraw/zinc/22/55/01/326225501.db2.gz GYRCRSRGSDBRCX-LPHOPBHVSA-N 2 2 329.444 1.182 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC[C@@H]1Cc2ccccc2O1 ZINC000584232151 326225504 /nfs/dbraw/zinc/22/55/04/326225504.db2.gz GYRCRSRGSDBRCX-LPHOPBHVSA-N 2 2 329.444 1.182 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000584285841 326234887 /nfs/dbraw/zinc/23/48/87/326234887.db2.gz YBWBWUQZVPITRT-BFYDXBDKSA-N 3 2 333.480 1.401 20 0 EDADLP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369315954 446068994 /nfs/dbraw/zinc/06/89/94/446068994.db2.gz MNWZNLNSESVRMZ-HOCLYGCPSA-N 2 2 340.431 1.645 20 0 EDADLP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369315954 446068997 /nfs/dbraw/zinc/06/89/97/446068997.db2.gz MNWZNLNSESVRMZ-HOCLYGCPSA-N 2 2 340.431 1.645 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]12 ZINC000351473262 446074901 /nfs/dbraw/zinc/07/49/01/446074901.db2.gz DDKBVRHYBOWNRD-NWANDNLSSA-N 2 2 331.416 1.456 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@@H]12 ZINC000351473262 446074907 /nfs/dbraw/zinc/07/49/07/446074907.db2.gz DDKBVRHYBOWNRD-NWANDNLSSA-N 2 2 331.416 1.456 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@@H]12 ZINC000351479284 446079313 /nfs/dbraw/zinc/07/93/13/446079313.db2.gz REEGDQWOFHBQEP-USXIJHARSA-N 3 2 348.516 1.061 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@@H]12 ZINC000351479284 446079318 /nfs/dbraw/zinc/07/93/18/446079318.db2.gz REEGDQWOFHBQEP-USXIJHARSA-N 3 2 348.516 1.061 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1C1CC1 ZINC000365217822 446083496 /nfs/dbraw/zinc/08/34/96/446083496.db2.gz YBKZYPAUMFNBNT-JJRVBVJISA-N 2 2 330.432 1.870 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1C1CC1 ZINC000365217822 446083504 /nfs/dbraw/zinc/08/35/04/446083504.db2.gz YBKZYPAUMFNBNT-JJRVBVJISA-N 2 2 330.432 1.870 20 0 EDADLP COCCN(C(C)=O)c1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000351491850 446093766 /nfs/dbraw/zinc/09/37/66/446093766.db2.gz KFPAQWRMXSGYPF-CFVMTHIKSA-N 2 2 338.477 1.312 20 0 EDADLP COCCN(C(C)=O)c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000351491850 446093768 /nfs/dbraw/zinc/09/37/68/446093768.db2.gz KFPAQWRMXSGYPF-CFVMTHIKSA-N 2 2 338.477 1.312 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359273667 446111413 /nfs/dbraw/zinc/11/14/13/446111413.db2.gz JDTXKTQOMGQOOC-HOTGVXAUSA-N 2 2 347.459 1.204 20 0 EDADLP C[C@H](OCCCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000359295552 446129173 /nfs/dbraw/zinc/12/91/73/446129173.db2.gz XBMPPKDMCXCLEJ-CGTJXYLNSA-N 2 2 331.460 1.422 20 0 EDADLP COCCSCCC[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000365384471 446180223 /nfs/dbraw/zinc/18/02/23/446180223.db2.gz KVAFKPCRTRTTQC-IAGOWNOFSA-N 2 2 345.553 1.093 20 0 EDADLP COCCSCCC[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000365384471 446180225 /nfs/dbraw/zinc/18/02/25/446180225.db2.gz KVAFKPCRTRTTQC-IAGOWNOFSA-N 2 2 345.553 1.093 20 0 EDADLP COCCSCCC[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000365384471 446180226 /nfs/dbraw/zinc/18/02/26/446180226.db2.gz KVAFKPCRTRTTQC-IAGOWNOFSA-N 2 2 345.553 1.093 20 0 EDADLP COCCSCCC[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000365384471 446180228 /nfs/dbraw/zinc/18/02/28/446180228.db2.gz KVAFKPCRTRTTQC-IAGOWNOFSA-N 2 2 345.553 1.093 20 0 EDADLP C[C@H](NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccc2c(c1)CCCC2 ZINC000359313058 446142143 /nfs/dbraw/zinc/14/21/43/446142143.db2.gz TYRTYLUIYACRBF-GDIGMMSISA-N 2 2 327.472 1.894 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359314066 446144164 /nfs/dbraw/zinc/14/41/64/446144164.db2.gz UYWVGLQEAYEFHN-BPUTZDHNSA-N 2 2 347.459 1.422 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362079180 446198992 /nfs/dbraw/zinc/19/89/92/446198992.db2.gz OMAQXOKIXWHNAL-KRWDZBQOSA-N 2 2 343.475 1.078 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362079180 446198997 /nfs/dbraw/zinc/19/89/97/446198997.db2.gz OMAQXOKIXWHNAL-KRWDZBQOSA-N 2 2 343.475 1.078 20 0 EDADLP c1nc(N2CCOCC2)sc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370263439 446202394 /nfs/dbraw/zinc/20/23/94/446202394.db2.gz XVIYQPPEUSTRNI-UHFFFAOYSA-N 2 2 333.461 1.802 20 0 EDADLP O=C1CC[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)[C@@H](C2CC2)N1 ZINC000370264736 446202969 /nfs/dbraw/zinc/20/29/69/446202969.db2.gz CSMWZHBHGGCFPF-GOEBONIOSA-N 2 2 349.398 1.680 20 0 EDADLP CN1CC[NH+](CC2(C)CCN(c3nc[nH+]c(N)c3Cl)CC2)CC1 ZINC000365458267 446217070 /nfs/dbraw/zinc/21/70/70/446217070.db2.gz DQAJDXDFPMFBFK-UHFFFAOYSA-N 2 2 338.887 1.566 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000373537122 446252441 /nfs/dbraw/zinc/25/24/41/446252441.db2.gz JBIQQIFCXQEUGF-KANFNMMFSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000373537122 446252445 /nfs/dbraw/zinc/25/24/45/446252445.db2.gz JBIQQIFCXQEUGF-KANFNMMFSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373537122 446252448 /nfs/dbraw/zinc/25/24/48/446252448.db2.gz JBIQQIFCXQEUGF-KANFNMMFSA-N 2 2 347.503 1.573 20 0 EDADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000373537122 446252451 /nfs/dbraw/zinc/25/24/51/446252451.db2.gz JBIQQIFCXQEUGF-KANFNMMFSA-N 2 2 347.503 1.573 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366654704 446296560 /nfs/dbraw/zinc/29/65/60/446296560.db2.gz XBXRVTXDDQONQM-UHFFFAOYSA-N 2 2 332.404 1.162 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373600159 446277834 /nfs/dbraw/zinc/27/78/34/446277834.db2.gz ZYYMCRPIWFXUML-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373600159 446277840 /nfs/dbraw/zinc/27/78/40/446277840.db2.gz ZYYMCRPIWFXUML-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCCO1 ZINC000417274031 446337812 /nfs/dbraw/zinc/33/78/12/446337812.db2.gz YZACRNNFIAXFSW-AWEZNQCLSA-N 2 2 347.394 1.271 20 0 EDADLP CCS(=O)(=O)CC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365789854 446343945 /nfs/dbraw/zinc/34/39/45/446343945.db2.gz ZZNDZDRSTPNCBP-UHFFFAOYSA-N 2 2 340.493 1.429 20 0 EDADLP CCS(=O)(=O)CC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365789854 446343949 /nfs/dbraw/zinc/34/39/49/446343949.db2.gz ZZNDZDRSTPNCBP-UHFFFAOYSA-N 2 2 340.493 1.429 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[NH+]1CCOCC1 ZINC000417514184 446359593 /nfs/dbraw/zinc/35/95/93/446359593.db2.gz ATOXOKGCGFUHMP-FZKCQIBNSA-N 2 2 326.485 1.160 20 0 EDADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000370645371 446371345 /nfs/dbraw/zinc/37/13/45/446371345.db2.gz JCHBNCXRKPAVEM-RBUKOAKNSA-N 2 2 343.471 1.206 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)NC(C)(C)C ZINC000370653870 446374469 /nfs/dbraw/zinc/37/44/69/446374469.db2.gz UQIQCIKSZFWLOL-FXUDXRNXSA-N 2 2 325.497 1.769 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)NC(C)(C)C ZINC000370653870 446374472 /nfs/dbraw/zinc/37/44/72/446374472.db2.gz UQIQCIKSZFWLOL-FXUDXRNXSA-N 2 2 325.497 1.769 20 0 EDADLP Cc1ccc(C2CC[NH+]([C@@H](C)c3nc(N)nc(N(C)C)n3)CC2)c[nH+]1 ZINC000374663301 446384224 /nfs/dbraw/zinc/38/42/24/446384224.db2.gz PINJIMMGIALYEW-ZDUSSCGKSA-N 2 2 341.463 2.164 20 0 EDADLP CO[C@@H](C)c1nsc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370690538 446388989 /nfs/dbraw/zinc/38/89/89/446388989.db2.gz PKYMHSWBQQTOPD-JSGCOSHPSA-N 2 2 339.509 1.850 20 0 EDADLP CO[C@@H](C)c1nsc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370690538 446388992 /nfs/dbraw/zinc/38/89/92/446388992.db2.gz PKYMHSWBQQTOPD-JSGCOSHPSA-N 2 2 339.509 1.850 20 0 EDADLP Cc1nc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c2c([nH+]1)CCCC2 ZINC000374756424 446391141 /nfs/dbraw/zinc/39/11/41/446391141.db2.gz ZXQSOYGITKOYPP-YJBOKZPZSA-N 2 2 330.476 2.577 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000411031292 446393566 /nfs/dbraw/zinc/39/35/66/446393566.db2.gz SODTVQPEGDFGMC-HUUCEWRRSA-N 2 2 347.463 1.057 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000411031292 446393571 /nfs/dbraw/zinc/39/35/71/446393571.db2.gz SODTVQPEGDFGMC-HUUCEWRRSA-N 2 2 347.463 1.057 20 0 EDADLP CCNc1nc(N2CCC([C@H]3CC[NH2+]C3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000420252955 446433682 /nfs/dbraw/zinc/43/36/82/446433682.db2.gz CMXLTOULWDCONL-AWEZNQCLSA-N 2 2 347.511 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC([C@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000420252955 446433689 /nfs/dbraw/zinc/43/36/89/446433689.db2.gz CMXLTOULWDCONL-AWEZNQCLSA-N 2 2 347.511 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000420252955 446433693 /nfs/dbraw/zinc/43/36/93/446433693.db2.gz CMXLTOULWDCONL-AWEZNQCLSA-N 2 2 347.511 1.762 20 0 EDADLP COc1cccc([C@H](NC(=O)C[NH2+]CC2CC2)c2[nH+]ccn2C)c1 ZINC000370763261 446422557 /nfs/dbraw/zinc/42/25/57/446422557.db2.gz HRPJEEWDTUSZLZ-KRWDZBQOSA-N 2 2 328.416 1.634 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000420288893 446454157 /nfs/dbraw/zinc/45/41/57/446454157.db2.gz JQWVGOODJQDGCZ-OAHLLOKOSA-N 2 2 325.434 1.580 20 0 EDADLP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367027542 446472356 /nfs/dbraw/zinc/47/23/56/446472356.db2.gz FYRHXJIJMBWXQB-IEBWSBKVSA-N 2 2 344.503 1.891 20 0 EDADLP Cc1ccccc1NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367027542 446472360 /nfs/dbraw/zinc/47/23/60/446472360.db2.gz FYRHXJIJMBWXQB-IEBWSBKVSA-N 2 2 344.503 1.891 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311992 446476002 /nfs/dbraw/zinc/47/60/02/446476002.db2.gz HKKBXLYLPVSCHZ-WDEREUQCSA-N 2 2 331.399 1.506 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311992 446476009 /nfs/dbraw/zinc/47/60/09/446476009.db2.gz HKKBXLYLPVSCHZ-WDEREUQCSA-N 2 2 331.399 1.506 20 0 EDADLP Nc1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000420314748 446480525 /nfs/dbraw/zinc/48/05/25/446480525.db2.gz WFXIOHSZBOQZSG-GDLCADMTSA-N 2 2 343.410 1.506 20 0 EDADLP Nc1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000420314748 446480529 /nfs/dbraw/zinc/48/05/29/446480529.db2.gz WFXIOHSZBOQZSG-GDLCADMTSA-N 2 2 343.410 1.506 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420317499 446483687 /nfs/dbraw/zinc/48/36/87/446483687.db2.gz UQNUEJJWAPZDPM-CABCVRRESA-N 2 2 325.453 1.005 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000420317499 446483692 /nfs/dbraw/zinc/48/36/92/446483692.db2.gz UQNUEJJWAPZDPM-CABCVRRESA-N 2 2 325.453 1.005 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)CC3(C[NH3+])CC3)CC2)cc1 ZINC000423306784 446482189 /nfs/dbraw/zinc/48/21/89/446482189.db2.gz UUJUAODPPRSTJZ-UHFFFAOYSA-N 2 2 331.460 1.859 20 0 EDADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420320942 446488129 /nfs/dbraw/zinc/48/81/29/446488129.db2.gz UQZHKNQATARBCP-YUELXQCFSA-N 2 2 341.463 1.255 20 0 EDADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420320942 446488135 /nfs/dbraw/zinc/48/81/35/446488135.db2.gz UQZHKNQATARBCP-YUELXQCFSA-N 2 2 341.463 1.255 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CC[NH2+]C1 ZINC000423330043 446491735 /nfs/dbraw/zinc/49/17/35/446491735.db2.gz LSTIEZSZWWMJHI-LJQANCHMSA-N 2 2 346.475 1.560 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000420327736 446495648 /nfs/dbraw/zinc/49/56/48/446495648.db2.gz YYCCEXRRJKXQEY-AEFFLSMTSA-N 2 2 330.432 1.335 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000420327736 446495653 /nfs/dbraw/zinc/49/56/53/446495653.db2.gz YYCCEXRRJKXQEY-AEFFLSMTSA-N 2 2 330.432 1.335 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423362451 446502057 /nfs/dbraw/zinc/50/20/57/446502057.db2.gz HVSHOKBJBDRJJL-ZQIUZPCESA-N 3 2 327.419 1.754 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000418362156 446514507 /nfs/dbraw/zinc/51/45/07/446514507.db2.gz HJGFJXHTNVKGTO-INIZCTEOSA-N 2 2 336.867 1.919 20 0 EDADLP CCn1nccc1/C=C/C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370988833 446560261 /nfs/dbraw/zinc/56/02/61/446560261.db2.gz YHMNKPQEKIUEDB-QWNKOJSDSA-N 2 2 345.491 1.543 20 0 EDADLP CCn1nccc1/C=C/C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370988833 446560263 /nfs/dbraw/zinc/56/02/63/446560263.db2.gz YHMNKPQEKIUEDB-QWNKOJSDSA-N 2 2 345.491 1.543 20 0 EDADLP COC(=O)c1ccc(F)c(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420386052 446560609 /nfs/dbraw/zinc/56/06/09/446560609.db2.gz UMUBGMOKDKHACN-HNNXBMFYSA-N 2 2 347.394 1.500 20 0 EDADLP COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420386052 446560616 /nfs/dbraw/zinc/56/06/16/446560616.db2.gz UMUBGMOKDKHACN-HNNXBMFYSA-N 2 2 347.394 1.500 20 0 EDADLP C[C@H](NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000420386286 446560974 /nfs/dbraw/zinc/56/09/74/446560974.db2.gz ISMVFGXRGIKFLU-SWLSCSKDSA-N 2 2 325.840 1.567 20 0 EDADLP C[C@H](NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000420386286 446560980 /nfs/dbraw/zinc/56/09/80/446560980.db2.gz ISMVFGXRGIKFLU-SWLSCSKDSA-N 2 2 325.840 1.567 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)CC2 ZINC000423532098 446564173 /nfs/dbraw/zinc/56/41/73/446564173.db2.gz QXQIYJHPYPJJDU-UKRRQHHQSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)CC2 ZINC000423532098 446564178 /nfs/dbraw/zinc/56/41/78/446564178.db2.gz QXQIYJHPYPJJDU-UKRRQHHQSA-N 2 2 347.459 1.258 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423396385 446516744 /nfs/dbraw/zinc/51/67/44/446516744.db2.gz UBOMZEDXWRUAAT-CRAIPNDOSA-N 2 2 333.476 1.959 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423410058 446520939 /nfs/dbraw/zinc/52/09/39/446520939.db2.gz ZQDREVIRZJKKDF-AWEZNQCLSA-N 2 2 342.447 1.894 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000418382321 446522498 /nfs/dbraw/zinc/52/24/98/446522498.db2.gz IKXUSDRFPFCLSE-OAHLLOKOSA-N 2 2 334.464 1.378 20 0 EDADLP c1[nH+]c2n(c1CNc1nc(N[C@H]3CCCOC3)cc[nH+]1)CCCC2 ZINC000376488595 446529965 /nfs/dbraw/zinc/52/99/65/446529965.db2.gz RECMAWFRCRWBJE-ZDUSSCGKSA-N 2 2 328.420 2.212 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433035874 446531801 /nfs/dbraw/zinc/53/18/01/446531801.db2.gz OFGWZZLVOOXDLF-GOEBONIOSA-N 2 2 337.468 1.671 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433035874 446531805 /nfs/dbraw/zinc/53/18/05/446531805.db2.gz OFGWZZLVOOXDLF-GOEBONIOSA-N 2 2 337.468 1.671 20 0 EDADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420354005 446534026 /nfs/dbraw/zinc/53/40/26/446534026.db2.gz NVIFKTAGHIWYDB-GHMZBOCLSA-N 2 2 329.828 1.235 20 0 EDADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420354005 446534033 /nfs/dbraw/zinc/53/40/33/446534033.db2.gz NVIFKTAGHIWYDB-GHMZBOCLSA-N 2 2 329.828 1.235 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000376499164 446537501 /nfs/dbraw/zinc/53/75/01/446537501.db2.gz BTPVIDGQJCAXFA-UHFFFAOYSA-N 2 2 346.475 1.445 20 0 EDADLP COc1nc(C)cc(C)c1C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000376499164 446537513 /nfs/dbraw/zinc/53/75/13/446537513.db2.gz BTPVIDGQJCAXFA-UHFFFAOYSA-N 2 2 346.475 1.445 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000418431065 446540316 /nfs/dbraw/zinc/54/03/16/446540316.db2.gz WFFZVBFRLWCZNS-JKSUJKDBSA-N 2 2 326.485 1.112 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000418431065 446540318 /nfs/dbraw/zinc/54/03/18/446540318.db2.gz WFFZVBFRLWCZNS-JKSUJKDBSA-N 2 2 326.485 1.112 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420363297 446542339 /nfs/dbraw/zinc/54/23/39/446542339.db2.gz JIUDRAQVBSWHII-PFHKOEEOSA-N 2 2 332.448 1.948 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000420363258 446543063 /nfs/dbraw/zinc/54/30/63/446543063.db2.gz JEHGHGNHLRXDKR-XNJGSVPQSA-N 2 2 332.448 1.303 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C(=O)N(C)C)cc1 ZINC000453257519 446552895 /nfs/dbraw/zinc/55/28/95/446552895.db2.gz HBIDMQARWRRTOF-YJBOKZPZSA-N 2 2 333.476 1.886 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(C(=O)N(C)C)cc1 ZINC000453257519 446552900 /nfs/dbraw/zinc/55/29/00/446552900.db2.gz HBIDMQARWRRTOF-YJBOKZPZSA-N 2 2 333.476 1.886 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC000367956319 446615084 /nfs/dbraw/zinc/61/50/84/446615084.db2.gz MQAGPUVXZYTFEC-FMKPAKJESA-N 2 2 334.464 1.322 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C2CC2)cc1 ZINC000420398362 446571177 /nfs/dbraw/zinc/57/11/77/446571177.db2.gz YLNIBQCFLSVWKW-SFHVURJKSA-N 2 2 347.459 1.236 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)C2CC2)cc1 ZINC000420398362 446571183 /nfs/dbraw/zinc/57/11/83/446571183.db2.gz YLNIBQCFLSVWKW-SFHVURJKSA-N 2 2 347.459 1.236 20 0 EDADLP C[C@@H]1CC[N@H+](CCCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000420409353 446583391 /nfs/dbraw/zinc/58/33/91/446583391.db2.gz QMZKPSQCKKQZHU-KGLIPLIRSA-N 2 2 328.453 1.906 20 0 EDADLP C[C@@H]1CC[N@@H+](CCCS(=O)(=O)c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000420409353 446583396 /nfs/dbraw/zinc/58/33/96/446583396.db2.gz QMZKPSQCKKQZHU-KGLIPLIRSA-N 2 2 328.453 1.906 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCC[N@@H+]1C ZINC000433509678 446584510 /nfs/dbraw/zinc/58/45/10/446584510.db2.gz NOZWBIKUNHAPDN-IXYNUQLISA-N 2 2 335.452 1.422 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCC[N@H+]1C ZINC000433509678 446584519 /nfs/dbraw/zinc/58/45/19/446584519.db2.gz NOZWBIKUNHAPDN-IXYNUQLISA-N 2 2 335.452 1.422 20 0 EDADLP Brc1cccc2c1C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CC2 ZINC000423581365 446587265 /nfs/dbraw/zinc/58/72/65/446587265.db2.gz YWLIWLKAXZHNDQ-STQMWFEESA-N 2 2 325.250 1.884 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000423617046 446607709 /nfs/dbraw/zinc/60/77/09/446607709.db2.gz GEOZXPKVQYFREJ-CZUORRHYSA-N 2 2 347.459 1.319 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)CC2 ZINC000423617046 446607711 /nfs/dbraw/zinc/60/77/11/446607711.db2.gz GEOZXPKVQYFREJ-CZUORRHYSA-N 2 2 347.459 1.319 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000423745560 446676239 /nfs/dbraw/zinc/67/62/39/446676239.db2.gz PWQCJOAAJLQFFY-HNNXBMFYSA-N 2 2 349.450 1.786 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)C1CC([NH3+])C1)CC2 ZINC000423694520 446644567 /nfs/dbraw/zinc/64/45/67/446644567.db2.gz GCSPICKILCGNPG-UHFFFAOYSA-N 2 2 333.432 1.010 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)C1CC([NH3+])C1)CC2 ZINC000423694520 446644577 /nfs/dbraw/zinc/64/45/77/446644577.db2.gz GCSPICKILCGNPG-UHFFFAOYSA-N 2 2 333.432 1.010 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000368108789 446646661 /nfs/dbraw/zinc/64/66/61/446646661.db2.gz APDGCPRMTUQXDA-RVKKMQEKSA-N 2 2 343.487 1.767 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000368108789 446646666 /nfs/dbraw/zinc/64/66/66/446646666.db2.gz APDGCPRMTUQXDA-RVKKMQEKSA-N 2 2 343.487 1.767 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H](C)O1 ZINC000368108789 446646672 /nfs/dbraw/zinc/64/66/72/446646672.db2.gz APDGCPRMTUQXDA-RVKKMQEKSA-N 2 2 343.487 1.767 20 0 EDADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC000411697499 446650375 /nfs/dbraw/zinc/65/03/75/446650375.db2.gz RRFQSEPEQDCUES-KBPBESRZSA-N 2 2 334.489 1.708 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+]([C@H]1CCCNC1=O)CC2 ZINC000411697499 446650383 /nfs/dbraw/zinc/65/03/83/446650383.db2.gz RRFQSEPEQDCUES-KBPBESRZSA-N 2 2 334.489 1.708 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000375224349 446654382 /nfs/dbraw/zinc/65/43/82/446654382.db2.gz MYUSFQPZBPQXNR-UHFFFAOYSA-N 2 2 340.387 1.467 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000371146940 446654628 /nfs/dbraw/zinc/65/46/28/446654628.db2.gz RQIDULFXPYVJHB-IAGOWNOFSA-N 2 2 346.475 1.213 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376715123 446670980 /nfs/dbraw/zinc/67/09/80/446670980.db2.gz JJAKBWJNVXDALD-JKSUJKDBSA-N 2 2 328.460 1.899 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376715123 446670989 /nfs/dbraw/zinc/67/09/89/446670989.db2.gz JJAKBWJNVXDALD-JKSUJKDBSA-N 2 2 328.460 1.899 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000418647246 446631668 /nfs/dbraw/zinc/63/16/68/446631668.db2.gz GMUPODSBLVQHEL-WMZOPIPTSA-N 2 2 346.475 1.365 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423811535 446702710 /nfs/dbraw/zinc/70/27/10/446702710.db2.gz BZJBXPCXNOTOJJ-OOVXXXAESA-N 2 2 341.377 1.965 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423811535 446702714 /nfs/dbraw/zinc/70/27/14/446702714.db2.gz BZJBXPCXNOTOJJ-OOVXXXAESA-N 2 2 341.377 1.965 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000423815340 446704324 /nfs/dbraw/zinc/70/43/24/446704324.db2.gz WDVWTNYAOQIILM-INIZCTEOSA-N 2 2 347.459 1.360 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)c1 ZINC000423815342 446704729 /nfs/dbraw/zinc/70/47/29/446704729.db2.gz WDVWTNYAOQIILM-MRXNPFEDSA-N 2 2 347.459 1.360 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)c1 ZINC000423817023 446706913 /nfs/dbraw/zinc/70/69/13/446706913.db2.gz YOXAUTMCXUPPSS-SFHVURJKSA-N 2 2 347.459 1.346 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423821290 446710206 /nfs/dbraw/zinc/71/02/06/446710206.db2.gz HJCPKEUIOLFQHY-DYQSUWPFSA-N 2 2 329.366 1.950 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423821290 446710212 /nfs/dbraw/zinc/71/02/12/446710212.db2.gz HJCPKEUIOLFQHY-DYQSUWPFSA-N 2 2 329.366 1.950 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371243435 446711828 /nfs/dbraw/zinc/71/18/28/446711828.db2.gz JZYJLKDPEJAZJN-CVEARBPZSA-N 2 2 325.416 1.872 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280647 446739714 /nfs/dbraw/zinc/73/97/14/446739714.db2.gz RJVLTRXWCWQAJW-FUHWJXTLSA-N 3 2 330.476 1.361 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280647 446739718 /nfs/dbraw/zinc/73/97/18/446739718.db2.gz RJVLTRXWCWQAJW-FUHWJXTLSA-N 3 2 330.476 1.361 20 0 EDADLP COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000411914225 446729431 /nfs/dbraw/zinc/72/94/31/446729431.db2.gz TUDSIOYYAXDGJH-RCBQFDQVSA-N 2 2 344.415 1.485 20 0 EDADLP COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000411914225 446729437 /nfs/dbraw/zinc/72/94/37/446729437.db2.gz TUDSIOYYAXDGJH-RCBQFDQVSA-N 2 2 344.415 1.485 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@@H](C)CC[NH2+]3)CC2)cn1 ZINC000423754435 446683123 /nfs/dbraw/zinc/68/31/23/446683123.db2.gz HZJWZJQPBLJWGI-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@@H](C)CC[NH2+]3)CC2)cn1 ZINC000423754435 446683131 /nfs/dbraw/zinc/68/31/31/446683131.db2.gz HZJWZJQPBLJWGI-FUHWJXTLSA-N 2 2 347.507 1.716 20 0 EDADLP C[C@@H](O)c1cnc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000368272703 446752509 /nfs/dbraw/zinc/75/25/09/446752509.db2.gz ITFHDDCLMBNJBP-UKRRQHHQSA-N 2 2 338.521 1.797 20 0 EDADLP C[C@@H](O)c1cnc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000368272703 446752514 /nfs/dbraw/zinc/75/25/14/446752514.db2.gz ITFHDDCLMBNJBP-UKRRQHHQSA-N 2 2 338.521 1.797 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C[C@@H]1C ZINC000423901207 446752606 /nfs/dbraw/zinc/75/26/06/446752606.db2.gz STMFDFXITSYQPW-YOEHRIQHSA-N 2 2 333.432 1.091 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C[C@@H]1C ZINC000423901207 446752612 /nfs/dbraw/zinc/75/26/12/446752612.db2.gz STMFDFXITSYQPW-YOEHRIQHSA-N 2 2 333.432 1.091 20 0 EDADLP CN(C)C(=O)[C@@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000411950790 446757065 /nfs/dbraw/zinc/75/70/65/446757065.db2.gz ONDQGVLYOIQGMZ-MOPGFXCFSA-N 2 2 345.487 1.688 20 0 EDADLP CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000411950790 446757070 /nfs/dbraw/zinc/75/70/70/446757070.db2.gz ONDQGVLYOIQGMZ-MOPGFXCFSA-N 2 2 345.487 1.688 20 0 EDADLP CN(C)C(=O)[C@@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000411950790 446757075 /nfs/dbraw/zinc/75/70/75/446757075.db2.gz ONDQGVLYOIQGMZ-MOPGFXCFSA-N 2 2 345.487 1.688 20 0 EDADLP CN(C)C(=O)[C@@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000411950790 446757081 /nfs/dbraw/zinc/75/70/81/446757081.db2.gz ONDQGVLYOIQGMZ-MOPGFXCFSA-N 2 2 345.487 1.688 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000423914885 446765497 /nfs/dbraw/zinc/76/54/97/446765497.db2.gz LHTNICAITAVXPB-QGZVFWFLSA-N 2 2 328.416 1.886 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376875122 446769208 /nfs/dbraw/zinc/76/92/08/446769208.db2.gz PXDFPHYADLLMAL-KRWDZBQOSA-N 2 2 332.448 1.617 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376875122 446769213 /nfs/dbraw/zinc/76/92/13/446769213.db2.gz PXDFPHYADLLMAL-KRWDZBQOSA-N 2 2 332.448 1.617 20 0 EDADLP O=C([C@H]1CCC[NH2+]1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923160 446774019 /nfs/dbraw/zinc/77/40/19/446774019.db2.gz BJNPMTVSEHQIDI-LSDHHAIUSA-N 2 2 330.432 1.414 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)CC1CC[NH2+]CC1 ZINC000423933899 446785109 /nfs/dbraw/zinc/78/51/09/446785109.db2.gz 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ZINC000459048630 447552933 /nfs/dbraw/zinc/55/29/33/447552933.db2.gz YAEULJWUBXZHPI-LBPRGKRZSA-N 2 2 325.482 1.229 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400341120 447572295 /nfs/dbraw/zinc/57/22/95/447572295.db2.gz GTCNJLSLZQUTCL-ARFHVFGLSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000422559933 447643673 /nfs/dbraw/zinc/64/36/73/447643673.db2.gz FFVMDVWNRQTDSU-VYDXJSESSA-N 3 2 332.496 1.034 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C[NH3+] ZINC000422559933 447643677 /nfs/dbraw/zinc/64/36/77/447643677.db2.gz FFVMDVWNRQTDSU-VYDXJSESSA-N 3 2 332.496 1.034 20 0 EDADLP C[N@H+](CC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)Cc1ccccc1 ZINC000450853239 447596006 /nfs/dbraw/zinc/59/60/06/447596006.db2.gz AVTKBGIGJQYDGX-DLBZAZTESA-N 2 2 339.505 1.568 20 0 EDADLP C[N@@H+](CC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O)Cc1ccccc1 ZINC000450853239 447596008 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Cc1cc(CNC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc(C)[nH+]1 ZINC000422587067 447656981 /nfs/dbraw/zinc/65/69/81/447656981.db2.gz HJKISUVDEQHZKP-MRXNPFEDSA-N 2 2 341.415 1.202 20 0 EDADLP O[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459419417 447659109 /nfs/dbraw/zinc/65/91/09/447659109.db2.gz AMRBCDCTRDJZEN-HXUWFJFHSA-N 3 2 329.488 1.840 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000420238300 447682701 /nfs/dbraw/zinc/68/27/01/447682701.db2.gz KNSVKYKHWZTHNX-NSHDSACASA-N 2 2 339.237 1.245 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000428288377 447687603 /nfs/dbraw/zinc/68/76/03/447687603.db2.gz RKEJUDHAXUDZRM-IRXDYDNUSA-N 2 2 334.460 1.801 20 0 EDADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000428288377 447687606 /nfs/dbraw/zinc/68/76/06/447687606.db2.gz RKEJUDHAXUDZRM-IRXDYDNUSA-N 2 2 334.460 1.801 20 0 EDADLP CC[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000451254834 447713437 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KPYOZEDBAYNHGC-ILXRZTDVSA-N 2 2 329.485 1.534 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000416942145 447719056 /nfs/dbraw/zinc/71/90/56/447719056.db2.gz IXPWUFZHYNWLIT-GFCCVEGCSA-N 2 2 337.374 1.421 20 0 EDADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422703650 447720537 /nfs/dbraw/zinc/72/05/37/447720537.db2.gz NQHJVOCXPFEBFC-IOASZLSFSA-N 2 2 325.478 1.728 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000422700800 447720839 /nfs/dbraw/zinc/72/08/39/447720839.db2.gz CHQCXCJYTKTLKA-QZTJIDSGSA-N 2 2 349.450 1.673 20 0 EDADLP c1cn(Cc2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)c[nH+]1 ZINC000422832938 447763924 /nfs/dbraw/zinc/76/39/24/447763924.db2.gz LUYAQVWBSXZOIX-OALUTQOASA-N 3 2 326.444 1.788 20 0 EDADLP CCCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]C1 ZINC000429096823 447725993 /nfs/dbraw/zinc/72/59/93/447725993.db2.gz FEPJWDFQZHGLCD-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000422752854 447739007 /nfs/dbraw/zinc/73/90/07/447739007.db2.gz HOSZGCRNGKCXGS-WBVHZDCISA-N 2 2 330.432 1.618 20 0 EDADLP CN(C[C@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000496226930 447745254 /nfs/dbraw/zinc/74/52/54/447745254.db2.gz LORDKSAABBBBCH-QGZVFWFLSA-N 2 2 340.468 1.823 20 0 EDADLP CN(C[C@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000496226930 447745256 /nfs/dbraw/zinc/74/52/56/447745256.db2.gz LORDKSAABBBBCH-QGZVFWFLSA-N 2 2 340.468 1.823 20 0 EDADLP Cn1nccc1[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000459707710 447746858 /nfs/dbraw/zinc/74/68/58/447746858.db2.gz JTBPMLAARAKIAM-GOSISDBHSA-N 2 2 328.460 1.750 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792183 447751016 /nfs/dbraw/zinc/75/10/16/447751016.db2.gz QXSAGPJINUDPNU-MSOLQXFVSA-N 3 2 338.540 1.293 20 0 EDADLP O=C1O[C@@]2(CN1C[NH+]1CCC(C(F)F)CC1)C[NH+]1CCC2CC1 ZINC000496277530 447752192 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EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000422843042 447766563 /nfs/dbraw/zinc/76/65/63/447766563.db2.gz GUHQENSVZDSCSA-IRXDYDNUSA-N 3 2 345.491 1.227 20 0 EDADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422878193 447770358 /nfs/dbraw/zinc/77/03/58/447770358.db2.gz JIRCQWFTZWFALG-KZNAEPCWSA-N 3 2 338.540 1.830 20 0 EDADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422878193 447770359 /nfs/dbraw/zinc/77/03/59/447770359.db2.gz JIRCQWFTZWFALG-KZNAEPCWSA-N 3 2 338.540 1.830 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422926169 447774336 /nfs/dbraw/zinc/77/43/36/447774336.db2.gz CPOSDLDBEGPAGQ-RHSMWYFYSA-N 2 2 339.505 1.947 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000430542135 447775199 /nfs/dbraw/zinc/77/51/99/447775199.db2.gz CGPFBTGKCSROGT-HPXCNGPASA-N 2 2 348.491 1.498 20 0 EDADLP FC(F)COc1ncccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423032164 447794262 /nfs/dbraw/zinc/79/42/62/447794262.db2.gz XREUPYMNGAHPOD-DZGCQCFKSA-N 2 2 327.375 1.582 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000569687353 447866844 /nfs/dbraw/zinc/86/68/44/447866844.db2.gz QZYVTLPEVANLJH-HOTGVXAUSA-N 2 2 345.443 1.485 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000569687353 447866851 /nfs/dbraw/zinc/86/68/51/447866851.db2.gz QZYVTLPEVANLJH-HOTGVXAUSA-N 2 2 345.443 1.485 20 0 EDADLP COC(=O)c1c(C)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1F ZINC000569692312 447867971 /nfs/dbraw/zinc/86/79/71/447867971.db2.gz ZXLBGLSPHKISHB-NSHDSACASA-N 2 2 338.383 1.027 20 0 EDADLP COC(=O)c1c(C)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1F ZINC000569692312 447867977 /nfs/dbraw/zinc/86/79/77/447867977.db2.gz ZXLBGLSPHKISHB-NSHDSACASA-N 2 2 338.383 1.027 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000569707163 447873431 /nfs/dbraw/zinc/87/34/31/447873431.db2.gz ZNXIJJYLIDHQGZ-DOTOQJQBSA-N 2 2 326.444 1.957 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000569707163 447873435 /nfs/dbraw/zinc/87/34/35/447873435.db2.gz ZNXIJJYLIDHQGZ-DOTOQJQBSA-N 2 2 326.444 1.957 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCc2cncnc2)([NH+]2CCCCC2)CC1 ZINC000551134046 447900593 /nfs/dbraw/zinc/90/05/93/447900593.db2.gz WHWZGNJMXJSEBI-UHFFFAOYSA-N 2 2 345.491 1.476 20 0 EDADLP Cc1cc(Br)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000576003200 447949146 /nfs/dbraw/zinc/94/91/46/447949146.db2.gz OBUXPPMEJYZTPY-ONGXEEELSA-N 2 2 344.278 1.563 20 0 EDADLP Cc1cc(Br)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000576003200 447949151 /nfs/dbraw/zinc/94/91/51/447949151.db2.gz OBUXPPMEJYZTPY-ONGXEEELSA-N 2 2 344.278 1.563 20 0 EDADLP CCOC(=O)N[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)CC(C)C ZINC000497177961 447926597 /nfs/dbraw/zinc/92/65/97/447926597.db2.gz LSYRPHHCQXORQP-HRCADAONSA-N 2 2 327.469 1.504 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)[C@@H]2C1 ZINC000570203094 447963934 /nfs/dbraw/zinc/96/39/34/447963934.db2.gz LVMMZYYXWMRZKS-HRCADAONSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)[C@@H]2C1 ZINC000570203094 447963940 /nfs/dbraw/zinc/96/39/40/447963940.db2.gz LVMMZYYXWMRZKS-HRCADAONSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2oc3ccccc3c2C[NH+](C)C)CCO1 ZINC000530817916 447963988 /nfs/dbraw/zinc/96/39/88/447963988.db2.gz WRUSCEABUUUCRF-AWEZNQCLSA-N 2 2 345.443 1.945 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2oc3ccccc3c2C[NH+](C)C)CCO1 ZINC000530817916 447963993 /nfs/dbraw/zinc/96/39/93/447963993.db2.gz WRUSCEABUUUCRF-AWEZNQCLSA-N 2 2 345.443 1.945 20 0 EDADLP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000496874494 447991161 /nfs/dbraw/zinc/99/11/61/447991161.db2.gz WMKGYOACPMSJSJ-UONOGXRCSA-N 2 2 337.468 1.833 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000525670397 448008626 /nfs/dbraw/zinc/00/86/26/448008626.db2.gz JZOQIMUWOIAMLN-AEFFLSMTSA-N 2 2 339.524 1.970 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)[NH+]1CCOCC1 ZINC000525670397 448008630 /nfs/dbraw/zinc/00/86/30/448008630.db2.gz JZOQIMUWOIAMLN-AEFFLSMTSA-N 2 2 339.524 1.970 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000576419246 448050114 /nfs/dbraw/zinc/05/01/14/448050114.db2.gz JEAJXHKGGCNFNZ-LZWOXQAQSA-N 2 2 334.464 1.369 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000576419246 448050119 /nfs/dbraw/zinc/05/01/19/448050119.db2.gz JEAJXHKGGCNFNZ-LZWOXQAQSA-N 2 2 334.464 1.369 20 0 EDADLP CCOC(=O)CC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000570444859 448015443 /nfs/dbraw/zinc/01/54/43/448015443.db2.gz XJSPQPBIUVVBCI-QGZVFWFLSA-N 2 2 335.448 1.340 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981559 448090159 /nfs/dbraw/zinc/09/01/59/448090159.db2.gz QWXYVGRHILIBFP-STQMWFEESA-N 2 2 348.413 1.931 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981559 448090163 /nfs/dbraw/zinc/09/01/63/448090163.db2.gz QWXYVGRHILIBFP-STQMWFEESA-N 2 2 348.413 1.931 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981559 448090168 /nfs/dbraw/zinc/09/01/68/448090168.db2.gz QWXYVGRHILIBFP-STQMWFEESA-N 2 2 348.413 1.931 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981559 448090171 /nfs/dbraw/zinc/09/01/71/448090171.db2.gz QWXYVGRHILIBFP-STQMWFEESA-N 2 2 348.413 1.931 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)C[N@@H+]1C1CC1 ZINC000556680970 448128305 /nfs/dbraw/zinc/12/83/05/448128305.db2.gz XOACTMKMGHPEJD-SZOQZIPDSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)C[N@H+]1C1CC1 ZINC000556680970 448128310 /nfs/dbraw/zinc/12/83/10/448128310.db2.gz XOACTMKMGHPEJD-SZOQZIPDSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C ZINC000556702063 448136567 /nfs/dbraw/zinc/13/65/67/448136567.db2.gz YQBILNZUALLNFA-GZIXRCOHSA-N 2 2 331.464 1.012 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C ZINC000556702063 448136572 /nfs/dbraw/zinc/13/65/72/448136572.db2.gz YQBILNZUALLNFA-GZIXRCOHSA-N 2 2 331.464 1.012 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1cncc(F)c1 ZINC000491870800 448139491 /nfs/dbraw/zinc/13/94/91/448139491.db2.gz OQMOZTRBZOTKGZ-PLNGDYQASA-N 2 2 334.439 1.718 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1cncc(F)c1 ZINC000491870800 448139495 /nfs/dbraw/zinc/13/94/95/448139495.db2.gz OQMOZTRBZOTKGZ-PLNGDYQASA-N 2 2 334.439 1.718 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531916177 448172640 /nfs/dbraw/zinc/17/26/40/448172640.db2.gz RMFQVQZTGIFAIN-JKSUJKDBSA-N 2 2 347.463 1.436 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000571611028 448176786 /nfs/dbraw/zinc/17/67/86/448176786.db2.gz CHWGRNTZVCMRCC-JKSUJKDBSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000571611028 448176789 /nfs/dbraw/zinc/17/67/89/448176789.db2.gz CHWGRNTZVCMRCC-JKSUJKDBSA-N 2 2 339.528 1.042 20 0 EDADLP CC[NH2+]CCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000514662196 448181917 /nfs/dbraw/zinc/18/19/17/448181917.db2.gz UTVOCDJVPWKEMS-CQSZACIVSA-N 2 2 335.452 1.106 20 0 EDADLP Cc1ccc(-c2cc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)on2)cc1 ZINC000571702879 448193483 /nfs/dbraw/zinc/19/34/83/448193483.db2.gz SFRIDNSIERXXBX-HOCLYGCPSA-N 2 2 326.400 1.394 20 0 EDADLP Cc1ccc(-c2cc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)on2)cc1 ZINC000571702879 448193487 /nfs/dbraw/zinc/19/34/87/448193487.db2.gz SFRIDNSIERXXBX-HOCLYGCPSA-N 2 2 326.400 1.394 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000582405298 448226395 /nfs/dbraw/zinc/22/63/95/448226395.db2.gz BARYQVVONRELQK-QAPCUYQASA-N 2 2 341.459 1.925 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000582405298 448226403 /nfs/dbraw/zinc/22/64/03/448226403.db2.gz BARYQVVONRELQK-QAPCUYQASA-N 2 2 341.459 1.925 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c[nH+]1 ZINC000582409595 448228828 /nfs/dbraw/zinc/22/88/28/448228828.db2.gz ZATMCVBDWZFKIX-JKSUJKDBSA-N 2 2 331.464 1.679 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000582414448 448230190 /nfs/dbraw/zinc/23/01/90/448230190.db2.gz OSEVBNJJKQBFEY-XLMAVXFVSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)NC(=O)NCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000571914017 448235701 /nfs/dbraw/zinc/23/57/01/448235701.db2.gz YORBBWIINCSEEJ-CALCHBBNSA-N 2 2 339.528 1.184 20 0 EDADLP CC(C)NC(=O)NCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000571914017 448235706 /nfs/dbraw/zinc/23/57/06/448235706.db2.gz YORBBWIINCSEEJ-CALCHBBNSA-N 2 2 339.528 1.184 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(O)cc1 ZINC000492618740 448238744 /nfs/dbraw/zinc/23/87/44/448238744.db2.gz ZDFMGHOPEALNLT-TWGQIWQCSA-N 2 2 331.460 1.890 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(O)cc1 ZINC000492618740 448238753 /nfs/dbraw/zinc/23/87/53/448238753.db2.gz ZDFMGHOPEALNLT-TWGQIWQCSA-N 2 2 331.460 1.890 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)sc2C1 ZINC000582491617 448253709 /nfs/dbraw/zinc/25/37/09/448253709.db2.gz NOSFQYJXRAONRS-NSHDSACASA-N 2 2 331.445 1.919 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)sc2C1 ZINC000582491617 448253715 /nfs/dbraw/zinc/25/37/15/448253715.db2.gz NOSFQYJXRAONRS-NSHDSACASA-N 2 2 331.445 1.919 20 0 EDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000532759000 448308294 /nfs/dbraw/zinc/30/82/94/448308294.db2.gz VJGRKTCZNQWYHO-UHFFFAOYSA-N 2 2 348.495 1.083 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(Br)cs3)CCN2C1=O ZINC000572180079 448309398 /nfs/dbraw/zinc/30/93/98/448309398.db2.gz NIKWBHKCIWYIRH-GXSJLCMTSA-N 2 2 330.251 1.254 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(Br)cs3)CCN2C1=O ZINC000572180079 448309401 /nfs/dbraw/zinc/30/94/01/448309401.db2.gz NIKWBHKCIWYIRH-GXSJLCMTSA-N 2 2 330.251 1.254 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000582604918 448287773 /nfs/dbraw/zinc/28/77/73/448287773.db2.gz MMJPFWIWZFXJCS-ONERCXAPSA-N 2 2 338.427 1.176 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000582604918 448287780 /nfs/dbraw/zinc/28/77/80/448287780.db2.gz MMJPFWIWZFXJCS-ONERCXAPSA-N 2 2 338.427 1.176 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC[C@H](C)O1)[C@H]1CC12CC[NH2+]CC2 ZINC000515664548 448341815 /nfs/dbraw/zinc/34/18/15/448341815.db2.gz MXSIEZARGCLCBS-JYJNAYRXSA-N 2 2 346.475 1.941 20 0 EDADLP Cc1ncccc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000527725375 448345794 /nfs/dbraw/zinc/34/57/94/448345794.db2.gz LDSBUZIUELIZFY-UHFFFAOYSA-N 2 2 345.491 1.748 20 0 EDADLP Clc1cnccc1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000527636124 448328462 /nfs/dbraw/zinc/32/84/62/448328462.db2.gz MBRAHKBENYBXMK-UHFFFAOYSA-N 2 2 346.866 1.827 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000572466413 448384997 /nfs/dbraw/zinc/38/49/97/448384997.db2.gz GYKVKJINNJGLAS-IKGGRYGDSA-N 2 2 332.448 1.191 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000572466413 448385004 /nfs/dbraw/zinc/38/50/04/448385004.db2.gz GYKVKJINNJGLAS-IKGGRYGDSA-N 2 2 332.448 1.191 20 0 EDADLP CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC1 ZINC000577786114 448385919 /nfs/dbraw/zinc/38/59/19/448385919.db2.gz MRCWRAMZHBIQAB-UHFFFAOYSA-N 2 2 346.475 1.518 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)C[C@H](C)O1 ZINC000577948007 448423252 /nfs/dbraw/zinc/42/32/52/448423252.db2.gz KHPZSUJEDDHXGI-OYNZLANYSA-N 2 2 349.475 1.361 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)C[C@H](C)O1 ZINC000577948007 448423257 /nfs/dbraw/zinc/42/32/57/448423257.db2.gz KHPZSUJEDDHXGI-OYNZLANYSA-N 2 2 349.475 1.361 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000533866726 448426920 /nfs/dbraw/zinc/42/69/20/448426920.db2.gz JOKRUWGXIBYAKR-AWEZNQCLSA-N 2 2 338.411 1.896 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000533866726 448426929 /nfs/dbraw/zinc/42/69/29/448426929.db2.gz JOKRUWGXIBYAKR-AWEZNQCLSA-N 2 2 338.411 1.896 20 0 EDADLP COc1cc(Cl)ccc1C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000578186812 448478775 /nfs/dbraw/zinc/47/87/75/448478775.db2.gz CLTCEULJHUNSOI-IOASZLSFSA-N 2 2 342.867 1.908 20 0 EDADLP CCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000516921723 448497058 /nfs/dbraw/zinc/49/70/58/448497058.db2.gz HSLDODMQZAXHQG-RVKKMQEKSA-N 2 2 349.475 1.595 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000572971256 448510629 /nfs/dbraw/zinc/51/06/29/448510629.db2.gz RFAFPZKFOHDPOW-LSDHHAIUSA-N 2 2 334.439 1.286 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000572971256 448510634 /nfs/dbraw/zinc/51/06/34/448510634.db2.gz RFAFPZKFOHDPOW-LSDHHAIUSA-N 2 2 334.439 1.286 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000517008474 448521508 /nfs/dbraw/zinc/52/15/08/448521508.db2.gz OEQRIVBIQYWJDF-MJGOQNOKSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000517008474 448521512 /nfs/dbraw/zinc/52/15/12/448521512.db2.gz OEQRIVBIQYWJDF-MJGOQNOKSA-N 2 2 348.487 1.920 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000517038273 448530462 /nfs/dbraw/zinc/53/04/62/448530462.db2.gz RXTAIIIKLDIUPX-OAHLLOKOSA-N 2 2 327.494 1.307 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000517038273 448530466 /nfs/dbraw/zinc/53/04/66/448530466.db2.gz RXTAIIIKLDIUPX-OAHLLOKOSA-N 2 2 327.494 1.307 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000517038273 448530472 /nfs/dbraw/zinc/53/04/72/448530472.db2.gz RXTAIIIKLDIUPX-OAHLLOKOSA-N 2 2 327.494 1.307 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000517038273 448530474 /nfs/dbraw/zinc/53/04/74/448530474.db2.gz RXTAIIIKLDIUPX-OAHLLOKOSA-N 2 2 327.494 1.307 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(N(C)C)n3C)C2)CC1 ZINC000591834115 448501523 /nfs/dbraw/zinc/50/15/23/448501523.db2.gz BHBPKKBZYXQLLS-INIZCTEOSA-N 2 2 334.512 1.086 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000517223271 448555348 /nfs/dbraw/zinc/55/53/48/448555348.db2.gz AIUNATHXQDETGX-GFCCVEGCSA-N 2 2 346.353 1.734 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000517223271 448555351 /nfs/dbraw/zinc/55/53/51/448555351.db2.gz AIUNATHXQDETGX-GFCCVEGCSA-N 2 2 346.353 1.734 20 0 EDADLP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000566852915 448571169 /nfs/dbraw/zinc/57/11/69/448571169.db2.gz CLEPXBUNUIHXJE-AEFFLSMTSA-N 2 2 329.444 1.197 20 0 EDADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccn1 ZINC000573220129 448573790 /nfs/dbraw/zinc/57/37/90/448573790.db2.gz YXZVMEAURVPZOT-GDBMZVCRSA-N 2 2 334.464 1.684 20 0 EDADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccn1 ZINC000573220129 448573796 /nfs/dbraw/zinc/57/37/96/448573796.db2.gz YXZVMEAURVPZOT-GDBMZVCRSA-N 2 2 334.464 1.684 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)NC[C@H]1CCC[NH2+]C1 ZINC000578741516 448623073 /nfs/dbraw/zinc/62/30/73/448623073.db2.gz BLNGDRORFXMLLT-HNNXBMFYSA-N 2 2 331.464 1.871 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])ccc2n1C ZINC000518340887 448665633 /nfs/dbraw/zinc/66/56/33/448665633.db2.gz UHLJFQHLVCWTBB-UHFFFAOYSA-N 2 2 331.420 1.264 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000518941541 448723492 /nfs/dbraw/zinc/72/34/92/448723492.db2.gz HXIHKRAHWCKXDJ-KBPBESRZSA-N 2 2 344.381 1.617 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000518941541 448723496 /nfs/dbraw/zinc/72/34/96/448723496.db2.gz HXIHKRAHWCKXDJ-KBPBESRZSA-N 2 2 344.381 1.617 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000567624561 448726499 /nfs/dbraw/zinc/72/64/99/448726499.db2.gz SGNDSDQDAHXUEV-LSDHHAIUSA-N 2 2 340.489 1.724 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000567624561 448726504 /nfs/dbraw/zinc/72/65/04/448726504.db2.gz SGNDSDQDAHXUEV-LSDHHAIUSA-N 2 2 340.489 1.724 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000567624561 448726507 /nfs/dbraw/zinc/72/65/07/448726507.db2.gz SGNDSDQDAHXUEV-LSDHHAIUSA-N 2 2 340.489 1.724 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000567624561 448726510 /nfs/dbraw/zinc/72/65/10/448726510.db2.gz SGNDSDQDAHXUEV-LSDHHAIUSA-N 2 2 340.489 1.724 20 0 EDADLP COc1ccc(C[C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cn1 ZINC000567638817 448728206 /nfs/dbraw/zinc/72/82/06/448728206.db2.gz IMHVWEQATBZNIT-AWEZNQCLSA-N 2 2 327.432 1.938 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[NH+](CC)CC3)CC2)CC1 ZINC000579244506 448752087 /nfs/dbraw/zinc/75/20/87/448752087.db2.gz ONPRAPYGTVRWRO-UHFFFAOYSA-N 3 2 336.524 1.347 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000579297071 448759969 /nfs/dbraw/zinc/75/99/69/448759969.db2.gz CUFUPKMYKKNMIP-DLBZAZTESA-N 2 2 346.475 1.467 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000529290987 448808900 /nfs/dbraw/zinc/80/89/00/448808900.db2.gz VNSNMGSOGUSORE-MRXNPFEDSA-N 2 2 331.464 1.821 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000519609604 448799987 /nfs/dbraw/zinc/79/99/87/448799987.db2.gz KWLDMOIPTTWSPM-OWCLPIDISA-N 2 2 347.459 1.487 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000519609604 448799990 /nfs/dbraw/zinc/79/99/90/448799990.db2.gz KWLDMOIPTTWSPM-OWCLPIDISA-N 2 2 347.459 1.487 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cscn1 ZINC000579585626 448827132 /nfs/dbraw/zinc/82/71/32/448827132.db2.gz OAHSAVRZXWFPKS-MRXNPFEDSA-N 2 2 346.456 1.292 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000579609106 448835517 /nfs/dbraw/zinc/83/55/17/448835517.db2.gz NQDJPDNBBJFNDC-QWHCGFSZSA-N 2 2 326.403 1.836 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000579609106 448835519 /nfs/dbraw/zinc/83/55/19/448835519.db2.gz NQDJPDNBBJFNDC-QWHCGFSZSA-N 2 2 326.403 1.836 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000579609106 448835524 /nfs/dbraw/zinc/83/55/24/448835524.db2.gz NQDJPDNBBJFNDC-QWHCGFSZSA-N 2 2 326.403 1.836 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000579609106 448835528 /nfs/dbraw/zinc/83/55/28/448835528.db2.gz NQDJPDNBBJFNDC-QWHCGFSZSA-N 2 2 326.403 1.836 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000519817754 448851663 /nfs/dbraw/zinc/85/16/63/448851663.db2.gz IDDKQEBYPZVRHS-FCEWJHQRSA-N 2 2 344.459 1.432 20 0 EDADLP C[N@@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000568526908 448884803 /nfs/dbraw/zinc/88/48/03/448884803.db2.gz MKNVFVBPLAOLPN-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP C[N@H+]1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000568526908 448884805 /nfs/dbraw/zinc/88/48/05/448884805.db2.gz MKNVFVBPLAOLPN-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000520472585 448901185 /nfs/dbraw/zinc/90/11/85/448901185.db2.gz COCUHHOFQBVEBO-UHFFFAOYSA-N 2 2 348.495 1.210 20 0 EDADLP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000568734628 448910101 /nfs/dbraw/zinc/91/01/01/448910101.db2.gz LTLYQJJSTSZCHN-UHFFFAOYSA-N 2 2 343.431 1.508 20 0 EDADLP C[C@H]([NH2+]Cc1nnnn1C1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580028672 448933056 /nfs/dbraw/zinc/93/30/56/448933056.db2.gz JNIIXQYGGOMAAJ-GJZGRUSLSA-N 2 2 348.495 1.767 20 0 EDADLP C[C@H]([NH2+]Cc1nnnn1C1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000580028672 448933061 /nfs/dbraw/zinc/93/30/61/448933061.db2.gz JNIIXQYGGOMAAJ-GJZGRUSLSA-N 2 2 348.495 1.767 20 0 EDADLP C[C@@H]1CC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@@H](n2cncn2)C1 ZINC000568618364 448894579 /nfs/dbraw/zinc/89/45/79/448894579.db2.gz HIBWJUVLNTVFFD-OIISXLGYSA-N 2 2 341.463 1.925 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010609 448966131 /nfs/dbraw/zinc/96/61/31/448966131.db2.gz WECRVWYJZWLRPJ-CQSZACIVSA-N 2 2 347.463 1.635 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010609 448966135 /nfs/dbraw/zinc/96/61/35/448966135.db2.gz WECRVWYJZWLRPJ-CQSZACIVSA-N 2 2 347.463 1.635 20 0 EDADLP C[N@H+](CCCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000521272457 448969525 /nfs/dbraw/zinc/96/95/25/448969525.db2.gz AZWDBHYLLWSKNB-UHFFFAOYSA-N 2 2 329.404 1.263 20 0 EDADLP C[N@@H+](CCCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000521272457 448969530 /nfs/dbraw/zinc/96/95/30/448969530.db2.gz AZWDBHYLLWSKNB-UHFFFAOYSA-N 2 2 329.404 1.263 20 0 EDADLP O=S(=O)(NCC[N@H+]1CC=CCC1)c1ccccc1Cn1cc[nH+]c1 ZINC000574869190 448974760 /nfs/dbraw/zinc/97/47/60/448974760.db2.gz HVDLUQXJCMZGJA-UHFFFAOYSA-N 2 2 346.456 1.472 20 0 EDADLP O=S(=O)(NCC[N@@H+]1CC=CCC1)c1ccccc1Cn1cc[nH+]c1 ZINC000574869190 448974763 /nfs/dbraw/zinc/97/47/63/448974763.db2.gz HVDLUQXJCMZGJA-UHFFFAOYSA-N 2 2 346.456 1.472 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3coc(-c4ccc(Cl)cc4)n3)CCN2C1=O ZINC000569237516 448987660 /nfs/dbraw/zinc/98/76/60/448987660.db2.gz LGOIQZXNHPRPDE-LSDHHAIUSA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)CCN2C1=O ZINC000569237516 448987663 /nfs/dbraw/zinc/98/76/63/448987663.db2.gz LGOIQZXNHPRPDE-LSDHHAIUSA-N 2 2 346.818 1.739 20 0 EDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)CC(F)(F)C[NH3+])cc2)CC1 ZINC000569374587 449015955 /nfs/dbraw/zinc/01/59/55/449015955.db2.gz XYLTURHMJDENTO-UHFFFAOYSA-N 2 2 340.418 1.034 20 0 EDADLP CN1CC[NH+](Cc2ccc(CNC(=O)CC(F)(F)C[NH3+])cc2)CC1 ZINC000569374587 449015963 /nfs/dbraw/zinc/01/59/63/449015963.db2.gz XYLTURHMJDENTO-UHFFFAOYSA-N 2 2 340.418 1.034 20 0 EDADLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000569377303 449016429 /nfs/dbraw/zinc/01/64/29/449016429.db2.gz UTABIIFIVUSIED-KRWDZBQOSA-N 3 2 336.524 1.393 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000582349850 449071504 /nfs/dbraw/zinc/07/15/04/449071504.db2.gz OFORRRUTDPPNJP-DLBZAZTESA-N 2 2 346.475 1.234 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000582349850 449071508 /nfs/dbraw/zinc/07/15/08/449071508.db2.gz OFORRRUTDPPNJP-DLBZAZTESA-N 2 2 346.475 1.234 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522305335 449076024 /nfs/dbraw/zinc/07/60/24/449076024.db2.gz GCELKRXOFQNMCS-OAHLLOKOSA-N 2 2 325.416 1.908 20 0 EDADLP C[C@@H]1C[NH+](CCCC[N@@H+]2CC[S@](=O)C[C@H](C)C2)CC[S@@](=O)C1 ZINC000582397781 449083748 /nfs/dbraw/zinc/08/37/48/449083748.db2.gz KLASKTOGPVSTJG-AJAKECSLSA-N 2 2 348.578 1.167 20 0 EDADLP C[C@@H]1C[NH+](CCCC[N@H+]2CC[S@](=O)C[C@H](C)C2)CC[S@@](=O)C1 ZINC000582397781 449083754 /nfs/dbraw/zinc/08/37/54/449083754.db2.gz KLASKTOGPVSTJG-AJAKECSLSA-N 2 2 348.578 1.167 20 0 EDADLP C[C@@H]1C[NH+](CCCC[N@@H+]2CC[S@@](=O)C[C@H](C)C2)CC[S@](=O)C1 ZINC000582397781 449083757 /nfs/dbraw/zinc/08/37/57/449083757.db2.gz KLASKTOGPVSTJG-AJAKECSLSA-N 2 2 348.578 1.167 20 0 EDADLP C[C@@H]1C[NH+](CCCC[N@H+]2CC[S@@](=O)C[C@H](C)C2)CC[S@](=O)C1 ZINC000582397781 449083763 /nfs/dbraw/zinc/08/37/63/449083763.db2.gz KLASKTOGPVSTJG-AJAKECSLSA-N 2 2 348.578 1.167 20 0 EDADLP Cn1cc([C@@H]2CN(C(=O)Nc3ccc4[nH+]ccn4c3)C[C@H]2[NH3+])cn1 ZINC000575116204 449039867 /nfs/dbraw/zinc/03/98/67/449039867.db2.gz LYAKLFRJKLOCPE-UONOGXRCSA-N 2 2 325.376 1.026 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000569573274 449047358 /nfs/dbraw/zinc/04/73/58/449047358.db2.gz OXIKPLXZMCOBPO-OAHLLOKOSA-N 2 2 325.416 1.729 20 0 EDADLP CNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000589734021 449057133 /nfs/dbraw/zinc/05/71/33/449057133.db2.gz FUZLVTRQYNRRBJ-HNNXBMFYSA-N 2 2 327.469 1.154 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000530225934 449088095 /nfs/dbraw/zinc/08/80/95/449088095.db2.gz YOHDQKRWOBHJDX-UHFFFAOYSA-N 2 2 339.443 1.378 20 0 EDADLP CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208225 449193185 /nfs/dbraw/zinc/19/31/85/449193185.db2.gz IDBHIMYQXMWKBU-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208225 449193192 /nfs/dbraw/zinc/19/31/92/449193192.db2.gz IDBHIMYQXMWKBU-RDJZCZTQSA-N 2 2 338.496 1.365 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[N@H+](CCO)C2CC[NH+](C)CC2)c1C ZINC000600107827 449193622 /nfs/dbraw/zinc/19/36/22/449193622.db2.gz ZKFKSQYEPZMIKP-UHFFFAOYSA-N 2 2 337.464 1.697 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1C ZINC000600107827 449193625 /nfs/dbraw/zinc/19/36/25/449193625.db2.gz ZKFKSQYEPZMIKP-UHFFFAOYSA-N 2 2 337.464 1.697 20 0 EDADLP CCO[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604209090 449194760 /nfs/dbraw/zinc/19/47/60/449194760.db2.gz MBBWCHKFANFZFA-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP CCO[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604209090 449194763 /nfs/dbraw/zinc/19/47/63/449194763.db2.gz MBBWCHKFANFZFA-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H](C)c1ccc(C)cc1 ZINC000600158971 449220561 /nfs/dbraw/zinc/22/05/61/449220561.db2.gz OTHIQQMKGNNEKX-GOSISDBHSA-N 2 2 347.503 1.821 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H](C)c1ccc(C)cc1 ZINC000600158971 449220566 /nfs/dbraw/zinc/22/05/66/449220566.db2.gz OTHIQQMKGNNEKX-GOSISDBHSA-N 2 2 347.503 1.821 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000602110408 449353831 /nfs/dbraw/zinc/35/38/31/449353831.db2.gz YETOASJTZXXDKR-AWEZNQCLSA-N 2 2 344.415 1.352 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC[N@H+](C)C1 ZINC000602161580 449393373 /nfs/dbraw/zinc/39/33/73/449393373.db2.gz GXSXPHOZZOZNPB-CABCVRRESA-N 2 2 336.436 1.034 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC[N@@H+](C)C1 ZINC000602161580 449393378 /nfs/dbraw/zinc/39/33/78/449393378.db2.gz GXSXPHOZZOZNPB-CABCVRRESA-N 2 2 336.436 1.034 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614091793 449454893 /nfs/dbraw/zinc/45/48/93/449454893.db2.gz BMRUSYVGSNFXGY-KURKYZTESA-N 2 2 346.450 1.691 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614091793 449454895 /nfs/dbraw/zinc/45/48/95/449454895.db2.gz BMRUSYVGSNFXGY-KURKYZTESA-N 2 2 346.450 1.691 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000614099666 449457872 /nfs/dbraw/zinc/45/78/72/449457872.db2.gz XOLJEMQVKQCBTP-QBPKDAKJSA-N 2 2 341.471 1.521 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000614099666 449457875 /nfs/dbraw/zinc/45/78/75/449457875.db2.gz XOLJEMQVKQCBTP-QBPKDAKJSA-N 2 2 341.471 1.521 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000611965192 449494287 /nfs/dbraw/zinc/49/42/87/449494287.db2.gz QHHZEPMVIFPHKQ-BBRMVZONSA-N 2 2 333.432 1.874 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000611965192 449494295 /nfs/dbraw/zinc/49/42/95/449494295.db2.gz QHHZEPMVIFPHKQ-BBRMVZONSA-N 2 2 333.432 1.874 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583002 449489973 /nfs/dbraw/zinc/48/99/73/449489973.db2.gz LQPKSPXPISYVIH-HNNXBMFYSA-N 2 2 331.420 1.813 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000606583002 449489974 /nfs/dbraw/zinc/48/99/74/449489974.db2.gz LQPKSPXPISYVIH-HNNXBMFYSA-N 2 2 331.420 1.813 20 0 EDADLP C[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccc(F)cc1 ZINC000611974136 449498809 /nfs/dbraw/zinc/49/88/09/449498809.db2.gz NFEZEUYRCGUCEQ-CQSZACIVSA-N 2 2 330.407 1.902 20 0 EDADLP C[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccc(F)cc1 ZINC000611974136 449498816 /nfs/dbraw/zinc/49/88/16/449498816.db2.gz NFEZEUYRCGUCEQ-CQSZACIVSA-N 2 2 330.407 1.902 20 0 EDADLP C[N@H+](CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccc(F)cc1 ZINC000611974136 449498823 /nfs/dbraw/zinc/49/88/23/449498823.db2.gz NFEZEUYRCGUCEQ-CQSZACIVSA-N 2 2 330.407 1.902 20 0 EDADLP C[N@@H+](CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccc(F)cc1 ZINC000611974136 449498826 /nfs/dbraw/zinc/49/88/26/449498826.db2.gz NFEZEUYRCGUCEQ-CQSZACIVSA-N 2 2 330.407 1.902 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000600712135 449510515 /nfs/dbraw/zinc/51/05/15/449510515.db2.gz WQDOYGSBMXNUEW-HEHGZKQESA-N 2 2 333.432 1.920 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607347026 449601239 /nfs/dbraw/zinc/60/12/39/449601239.db2.gz ZAYHKBGLOSFDQX-CGTJXYLNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607347026 449601241 /nfs/dbraw/zinc/60/12/41/449601241.db2.gz ZAYHKBGLOSFDQX-CGTJXYLNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607347026 449601243 /nfs/dbraw/zinc/60/12/43/449601243.db2.gz ZAYHKBGLOSFDQX-CGTJXYLNSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607347026 449601244 /nfs/dbraw/zinc/60/12/44/449601244.db2.gz ZAYHKBGLOSFDQX-CGTJXYLNSA-N 2 2 331.460 1.486 20 0 EDADLP COC(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(C[NH3+])c3)nn2)C1 ZINC000600976420 449629445 /nfs/dbraw/zinc/62/94/45/449629445.db2.gz SJSPFXVNQIKDOE-CQSZACIVSA-N 2 2 329.404 1.111 20 0 EDADLP COC(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3cccc(C[NH3+])c3)nn2)C1 ZINC000600976420 449629450 /nfs/dbraw/zinc/62/94/50/449629450.db2.gz SJSPFXVNQIKDOE-CQSZACIVSA-N 2 2 329.404 1.111 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000601002649 449647597 /nfs/dbraw/zinc/64/75/97/449647597.db2.gz WQMWWWDMRPAOSW-QGZVFWFLSA-N 2 2 347.507 1.983 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000601002649 449647599 /nfs/dbraw/zinc/64/75/99/449647599.db2.gz WQMWWWDMRPAOSW-QGZVFWFLSA-N 2 2 347.507 1.983 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000614602994 449705553 /nfs/dbraw/zinc/70/55/53/449705553.db2.gz FRSYLQZDTYYAEJ-KZNAEPCWSA-N 2 2 338.455 1.909 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000614602994 449705556 /nfs/dbraw/zinc/70/55/56/449705556.db2.gz FRSYLQZDTYYAEJ-KZNAEPCWSA-N 2 2 338.455 1.909 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH]c1C ZINC000602706241 449759847 /nfs/dbraw/zinc/75/98/47/449759847.db2.gz CFNJQSFBCDBUCQ-MRXNPFEDSA-N 2 2 335.448 1.796 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)[nH]c1C ZINC000602706241 449759853 /nfs/dbraw/zinc/75/98/53/449759853.db2.gz CFNJQSFBCDBUCQ-MRXNPFEDSA-N 2 2 335.448 1.796 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608133325 449761137 /nfs/dbraw/zinc/76/11/37/449761137.db2.gz QBJPMCMDNCNPEH-WMLDXEAASA-N 2 2 345.491 1.142 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608133325 449761142 /nfs/dbraw/zinc/76/11/42/449761142.db2.gz QBJPMCMDNCNPEH-WMLDXEAASA-N 2 2 345.491 1.142 20 0 EDADLP COC(=O)c1[nH]c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C ZINC000602712591 449763569 /nfs/dbraw/zinc/76/35/69/449763569.db2.gz VOQBVPPOBCXDIN-MRXNPFEDSA-N 2 2 335.448 1.796 20 0 EDADLP COC(=O)c1[nH]c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1C ZINC000602712591 449763570 /nfs/dbraw/zinc/76/35/70/449763570.db2.gz VOQBVPPOBCXDIN-MRXNPFEDSA-N 2 2 335.448 1.796 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608361358 449818542 /nfs/dbraw/zinc/81/85/42/449818542.db2.gz OJHDXYGARUONIN-SJORKVTESA-N 2 2 334.464 1.840 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(OC(F)F)c1 ZINC000617763064 449822180 /nfs/dbraw/zinc/82/21/80/449822180.db2.gz CJIHGSLMJFEGEE-UHFFFAOYSA-N 2 2 330.379 1.296 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(OC(F)F)c1 ZINC000617763064 449822185 /nfs/dbraw/zinc/82/21/85/449822185.db2.gz CJIHGSLMJFEGEE-UHFFFAOYSA-N 2 2 330.379 1.296 20 0 EDADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1-n1cccn1 ZINC000617763430 449822486 /nfs/dbraw/zinc/82/24/86/449822486.db2.gz RDVSFQGAXQOBMB-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1-n1cccn1 ZINC000617763430 449822491 /nfs/dbraw/zinc/82/24/91/449822491.db2.gz RDVSFQGAXQOBMB-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(-c2cccs2)n1 ZINC000617765539 449827579 /nfs/dbraw/zinc/82/75/79/449827579.db2.gz FPNXXDSRNWOZLS-UHFFFAOYSA-N 2 2 349.504 1.762 20 0 EDADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(-c2cccs2)n1 ZINC000617765539 449827583 /nfs/dbraw/zinc/82/75/83/449827583.db2.gz FPNXXDSRNWOZLS-UHFFFAOYSA-N 2 2 349.504 1.762 20 0 EDADLP CCOC(=O)C1(C)CC(Nc2ccc(N3CC[NH+](C)CC3)c[nH+]2)C1 ZINC000601274023 449790517 /nfs/dbraw/zinc/79/05/17/449790517.db2.gz VPJTXWAEHPNBBO-UHFFFAOYSA-N 2 2 332.448 1.977 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000617733199 449795369 /nfs/dbraw/zinc/79/53/69/449795369.db2.gz OELBMRVQWCQYPY-BRWVUGGUSA-N 2 2 345.487 1.659 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000617733199 449795372 /nfs/dbraw/zinc/79/53/72/449795372.db2.gz OELBMRVQWCQYPY-BRWVUGGUSA-N 2 2 345.487 1.659 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000617733199 449795374 /nfs/dbraw/zinc/79/53/74/449795374.db2.gz OELBMRVQWCQYPY-BRWVUGGUSA-N 2 2 345.487 1.659 20 0 EDADLP C[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000617733199 449795377 /nfs/dbraw/zinc/79/53/77/449795377.db2.gz OELBMRVQWCQYPY-BRWVUGGUSA-N 2 2 345.487 1.659 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](OC)[C@H]2CCOC2)CC1 ZINC000597176722 449856058 /nfs/dbraw/zinc/85/60/58/449856058.db2.gz KZFQNPUGQJGREW-GOEBONIOSA-N 2 2 328.453 1.045 20 0 EDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000599310987 449882519 /nfs/dbraw/zinc/88/25/19/449882519.db2.gz KXHJNGZNQTYXKM-IBGZPJMESA-N 2 2 344.503 1.535 20 0 EDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000599310987 449882526 /nfs/dbraw/zinc/88/25/26/449882526.db2.gz KXHJNGZNQTYXKM-IBGZPJMESA-N 2 2 344.503 1.535 20 0 EDADLP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000599310987 449882537 /nfs/dbraw/zinc/88/25/37/449882537.db2.gz KXHJNGZNQTYXKM-IBGZPJMESA-N 2 2 344.503 1.535 20 0 EDADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000612962883 449959198 /nfs/dbraw/zinc/95/91/98/449959198.db2.gz GGNIYEIMHKMJEF-OAHLLOKOSA-N 2 2 334.489 1.717 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC(=O)NCc1ccccc1 ZINC000609157495 449970914 /nfs/dbraw/zinc/97/09/14/449970914.db2.gz WJMZZCPMNJOSCI-MRXNPFEDSA-N 2 2 341.415 1.546 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC(=O)NCc1ccccc1 ZINC000609157495 449970917 /nfs/dbraw/zinc/97/09/17/449970917.db2.gz WJMZZCPMNJOSCI-MRXNPFEDSA-N 2 2 341.415 1.546 20 0 EDADLP CO[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCC1 ZINC000613004452 449978772 /nfs/dbraw/zinc/97/87/72/449978772.db2.gz BEGLNNRPXKNBFN-ZZJWQFMZSA-N 2 2 349.519 1.961 20 0 EDADLP CO[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCCC1 ZINC000613004452 449978778 /nfs/dbraw/zinc/97/87/78/449978778.db2.gz BEGLNNRPXKNBFN-ZZJWQFMZSA-N 2 2 349.519 1.961 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615301932 450053131 /nfs/dbraw/zinc/05/31/31/450053131.db2.gz KPKXPHIQROLAJV-NUEKZKHPSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615301932 450053137 /nfs/dbraw/zinc/05/31/37/450053137.db2.gz KPKXPHIQROLAJV-NUEKZKHPSA-N 2 2 349.479 1.034 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([S@](C)=O)cc3)C2)CC1 ZINC000609571116 450054427 /nfs/dbraw/zinc/05/44/27/450054427.db2.gz CWZZFUMMAOGVEY-MYYSRTQBSA-N 2 2 349.500 1.322 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([S@](C)=O)cc3)C2)CC1 ZINC000609571116 450054432 /nfs/dbraw/zinc/05/44/32/450054432.db2.gz CWZZFUMMAOGVEY-MYYSRTQBSA-N 2 2 349.500 1.322 20 0 EDADLP COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000601567346 450077711 /nfs/dbraw/zinc/07/77/11/450077711.db2.gz KLOUOFCZHFVDST-HRCADAONSA-N 2 2 346.431 1.070 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1=O ZINC000595412765 450124717 /nfs/dbraw/zinc/12/47/17/450124717.db2.gz QAYYDCMYEOTVLG-OAHLLOKOSA-N 2 2 337.464 1.101 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1=O ZINC000595412765 450124721 /nfs/dbraw/zinc/12/47/21/450124721.db2.gz QAYYDCMYEOTVLG-OAHLLOKOSA-N 2 2 337.464 1.101 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615548628 450138693 /nfs/dbraw/zinc/13/86/93/450138693.db2.gz UHZDHSRSDOFSAH-ROUUACIJSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615548628 450138698 /nfs/dbraw/zinc/13/86/98/450138698.db2.gz UHZDHSRSDOFSAH-ROUUACIJSA-N 2 2 335.492 1.717 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603592900 450330013 /nfs/dbraw/zinc/33/00/13/450330013.db2.gz GWJCRFVGJRXPCY-JKSUJKDBSA-N 2 2 348.495 1.357 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000603592900 450330015 /nfs/dbraw/zinc/33/00/15/450330015.db2.gz GWJCRFVGJRXPCY-JKSUJKDBSA-N 2 2 348.495 1.357 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623352610 450502737 /nfs/dbraw/zinc/50/27/37/450502737.db2.gz IGNIIXRPARTISO-KRWDZBQOSA-N 3 2 331.508 1.796 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623352610 450502740 /nfs/dbraw/zinc/50/27/40/450502740.db2.gz IGNIIXRPARTISO-KRWDZBQOSA-N 3 2 331.508 1.796 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)N1CC[NH+](Cc2ccco2)CC1 ZINC000625776600 450503861 /nfs/dbraw/zinc/50/38/61/450503861.db2.gz KNBFFXAMDQSDAQ-SJORKVTESA-N 2 2 349.500 1.894 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)N1CC[NH+](Cc2ccco2)CC1 ZINC000625776600 450503864 /nfs/dbraw/zinc/50/38/64/450503864.db2.gz KNBFFXAMDQSDAQ-SJORKVTESA-N 2 2 349.500 1.894 20 0 EDADLP C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000625946267 450539922 /nfs/dbraw/zinc/53/99/22/450539922.db2.gz WUAVJEYCLQIAMQ-OCCSQVGLSA-N 2 2 345.447 1.263 20 0 EDADLP C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc21 ZINC000625946267 450539923 /nfs/dbraw/zinc/53/99/23/450539923.db2.gz WUAVJEYCLQIAMQ-OCCSQVGLSA-N 2 2 345.447 1.263 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000623565988 450544439 /nfs/dbraw/zinc/54/44/39/450544439.db2.gz AWQOOYIPBHDKTQ-DLBZAZTESA-N 2 2 334.464 1.228 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)[NH+](C)C)cc1 ZINC000623565988 450544441 /nfs/dbraw/zinc/54/44/41/450544441.db2.gz AWQOOYIPBHDKTQ-DLBZAZTESA-N 2 2 334.464 1.228 20 0 EDADLP CC[N@H+](CCNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC000623573383 450545487 /nfs/dbraw/zinc/54/54/87/450545487.db2.gz GNJHBIDHJJMENX-UHFFFAOYSA-N 2 2 348.495 2.104 20 0 EDADLP CC[N@@H+](CCNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC000623573383 450545488 /nfs/dbraw/zinc/54/54/88/450545488.db2.gz GNJHBIDHJJMENX-UHFFFAOYSA-N 2 2 348.495 2.104 20 0 EDADLP CCOCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC000625976663 450546921 /nfs/dbraw/zinc/54/69/21/450546921.db2.gz KSGGOHNHWLQDDS-IBGZPJMESA-N 2 2 345.487 1.786 20 0 EDADLP CCOCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC000625976663 450546923 /nfs/dbraw/zinc/54/69/23/450546923.db2.gz KSGGOHNHWLQDDS-IBGZPJMESA-N 2 2 345.487 1.786 20 0 EDADLP CCOc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1OC ZINC000623617778 450552420 /nfs/dbraw/zinc/55/24/20/450552420.db2.gz OATZCDDUQFKVEQ-HNNXBMFYSA-N 2 2 335.448 1.523 20 0 EDADLP CCOc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)ccc1OC ZINC000623617778 450552422 /nfs/dbraw/zinc/55/24/22/450552422.db2.gz OATZCDDUQFKVEQ-HNNXBMFYSA-N 2 2 335.448 1.523 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000623639216 450557657 /nfs/dbraw/zinc/55/76/57/450557657.db2.gz HDWHFKOSHDDYDZ-KSXIZUIISA-N 2 2 338.496 1.266 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000623639216 450557659 /nfs/dbraw/zinc/55/76/59/450557659.db2.gz HDWHFKOSHDDYDZ-KSXIZUIISA-N 2 2 338.496 1.266 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)cn2)CC1 ZINC000623656557 450561594 /nfs/dbraw/zinc/56/15/94/450561594.db2.gz XFEYKVDSNZWWTC-INIZCTEOSA-N 3 2 332.496 1.050 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)cn2)CC1 ZINC000623656557 450561596 /nfs/dbraw/zinc/56/15/96/450561596.db2.gz XFEYKVDSNZWWTC-INIZCTEOSA-N 3 2 332.496 1.050 20 0 EDADLP O[C@@H]1CCN(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623759152 450579222 /nfs/dbraw/zinc/57/92/22/450579222.db2.gz APXWSQSNXMDLMI-LJQANCHMSA-N 2 2 335.467 1.489 20 0 EDADLP C/C=C/C[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000626160529 450594198 /nfs/dbraw/zinc/59/41/98/450594198.db2.gz JZBGSWXSANGHOK-LAQIPUCWSA-N 2 2 337.508 1.892 20 0 EDADLP C/C=C/C[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000626160529 450594203 /nfs/dbraw/zinc/59/42/03/450594203.db2.gz JZBGSWXSANGHOK-LAQIPUCWSA-N 2 2 337.508 1.892 20 0 EDADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000623836674 450609799 /nfs/dbraw/zinc/60/97/99/450609799.db2.gz FDYYTTDCAVRHGG-SFHVURJKSA-N 2 2 327.428 1.817 20 0 EDADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000623836674 450609801 /nfs/dbraw/zinc/60/98/01/450609801.db2.gz FDYYTTDCAVRHGG-SFHVURJKSA-N 2 2 327.428 1.817 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000633037120 450633037 /nfs/dbraw/zinc/63/30/37/450633037.db2.gz KULQBDBJKPTTFK-STQMWFEESA-N 2 2 340.383 1.761 20 0 EDADLP CCn1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C2CC2)n1 ZINC000631625211 450681968 /nfs/dbraw/zinc/68/19/68/450681968.db2.gz LOXQGQAINSEYDJ-UHFFFAOYSA-N 2 2 333.480 1.536 20 0 EDADLP Cc1nc(C(C)C)ccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000629519147 450724000 /nfs/dbraw/zinc/72/40/00/450724000.db2.gz PXIYDXYIDBCGDA-KRWDZBQOSA-N 2 2 330.476 1.910 20 0 EDADLP Cc1nc(C(C)C)ccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000629519147 450724003 /nfs/dbraw/zinc/72/40/03/450724003.db2.gz PXIYDXYIDBCGDA-KRWDZBQOSA-N 2 2 330.476 1.910 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000624150398 450725051 /nfs/dbraw/zinc/72/50/51/450725051.db2.gz GWPUVBJQURAPGI-UHFFFAOYSA-N 2 2 345.451 2.036 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000629527547 450726182 /nfs/dbraw/zinc/72/61/82/450726182.db2.gz YIVBETCZYDIPGP-AEGPPILISA-N 2 2 325.478 1.742 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000631717550 450730544 /nfs/dbraw/zinc/73/05/44/450730544.db2.gz GBXHFJQYHHZAQN-UHFFFAOYSA-N 2 2 330.841 1.359 20 0 EDADLP C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000629561070 450736305 /nfs/dbraw/zinc/73/63/05/450736305.db2.gz ZARLGUGYZPOARH-WOJBJXKFSA-N 3 2 346.519 1.021 20 0 EDADLP Cn1c2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2oc1=O ZINC000624205494 450746346 /nfs/dbraw/zinc/74/63/46/450746346.db2.gz FHYDRKHCOBBODJ-OAHLLOKOSA-N 2 2 331.416 1.474 20 0 EDADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624227701 450756491 /nfs/dbraw/zinc/75/64/91/450756491.db2.gz YDIUEJSGQQAMRY-CXAGYDPISA-N 2 2 332.448 1.688 20 0 EDADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000624227701 450756495 /nfs/dbraw/zinc/75/64/95/450756495.db2.gz YDIUEJSGQQAMRY-CXAGYDPISA-N 2 2 332.448 1.688 20 0 EDADLP CCSc1cccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000629650532 450770906 /nfs/dbraw/zinc/77/09/06/450770906.db2.gz VYDWLRVPFHGRAS-UHFFFAOYSA-N 2 2 348.516 1.941 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CC[C@H]3CCC[NH2+]C3)c[nH+]2)CCO1 ZINC000621641331 450807061 /nfs/dbraw/zinc/80/70/61/450807061.db2.gz HBYKGLHSEAZHNO-JKSUJKDBSA-N 2 2 346.475 1.703 20 0 EDADLP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621669287 450824420 /nfs/dbraw/zinc/82/44/20/450824420.db2.gz IXSOXJODJDCCGJ-AEFFLSMTSA-N 3 2 336.524 1.393 20 0 EDADLP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621669287 450824423 /nfs/dbraw/zinc/82/44/23/450824423.db2.gz IXSOXJODJDCCGJ-AEFFLSMTSA-N 3 2 336.524 1.393 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)c[nH+]2)CCO1 ZINC000635324931 450850532 /nfs/dbraw/zinc/85/05/32/450850532.db2.gz KRMHZLGHBCZUPP-HNNXBMFYSA-N 2 2 348.491 1.901 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)c[nH+]2)CCO1 ZINC000635324931 450850534 /nfs/dbraw/zinc/85/05/34/450850534.db2.gz KRMHZLGHBCZUPP-HNNXBMFYSA-N 2 2 348.491 1.901 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633486081 450876415 /nfs/dbraw/zinc/87/64/15/450876415.db2.gz LUWNZWGFSLSMPE-UHFFFAOYSA-N 2 2 349.504 1.338 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCN(c4cc[nH+]cc4)CC3)[nH+]c12 ZINC000624576941 450903998 /nfs/dbraw/zinc/90/39/98/450903998.db2.gz YINKQOCQXDDNER-UHFFFAOYSA-N 2 2 335.411 1.929 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C3CCC3)CC2)oc1C ZINC000629958143 450915917 /nfs/dbraw/zinc/91/59/17/450915917.db2.gz IVKYTZTUFLTZIF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)C[N@H+](C)C3CCC3)CC2)oc1C ZINC000629958143 450915921 /nfs/dbraw/zinc/91/59/21/450915921.db2.gz IVKYTZTUFLTZIF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)C[NH+](C)C3CCC3)CC2)oc1C ZINC000629958143 450915927 /nfs/dbraw/zinc/91/59/27/450915927.db2.gz IVKYTZTUFLTZIF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C3CCC3)CC2)oc1C ZINC000629958143 450915934 /nfs/dbraw/zinc/91/59/34/450915934.db2.gz IVKYTZTUFLTZIF-UHFFFAOYSA-N 2 2 334.464 1.810 20 0 EDADLP CCC(F)(F)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000624663597 450944263 /nfs/dbraw/zinc/94/42/63/450944263.db2.gz ZBPNEMQHVPVORO-YIONKMFJSA-N 2 2 344.450 1.984 20 0 EDADLP CCC(F)(F)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000624663597 450944270 /nfs/dbraw/zinc/94/42/70/450944270.db2.gz ZBPNEMQHVPVORO-YIONKMFJSA-N 2 2 344.450 1.984 20 0 EDADLP COCCOCC[N@H+](C)CCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000635457061 450956882 /nfs/dbraw/zinc/95/68/82/450956882.db2.gz VWJZKXKSHQGYAM-UHFFFAOYSA-N 2 2 338.452 1.032 20 0 EDADLP COCCOCC[N@@H+](C)CCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000635457061 450956885 /nfs/dbraw/zinc/95/68/85/450956885.db2.gz VWJZKXKSHQGYAM-UHFFFAOYSA-N 2 2 338.452 1.032 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635467131 450966668 /nfs/dbraw/zinc/96/66/68/450966668.db2.gz YKEVJDURGPIWCQ-ARFHVFGLSA-N 3 2 333.480 1.388 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635467131 450966670 /nfs/dbraw/zinc/96/66/70/450966670.db2.gz YKEVJDURGPIWCQ-ARFHVFGLSA-N 3 2 333.480 1.388 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635467131 450966673 /nfs/dbraw/zinc/96/66/73/450966673.db2.gz YKEVJDURGPIWCQ-ARFHVFGLSA-N 3 2 333.480 1.388 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635467131 450966677 /nfs/dbraw/zinc/96/66/77/450966677.db2.gz YKEVJDURGPIWCQ-ARFHVFGLSA-N 3 2 333.480 1.388 20 0 EDADLP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)C2 ZINC000622003933 450982931 /nfs/dbraw/zinc/98/29/31/450982931.db2.gz HOSOYCUVOMFMIS-PXNSSMCTSA-N 2 2 343.471 1.905 20 0 EDADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)C2 ZINC000622003933 450982937 /nfs/dbraw/zinc/98/29/37/450982937.db2.gz HOSOYCUVOMFMIS-PXNSSMCTSA-N 2 2 343.471 1.905 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[NH+](CCCF)CC1)n2C ZINC000627959557 451052829 /nfs/dbraw/zinc/05/28/29/451052829.db2.gz QKUJSAASDPNJMW-UHFFFAOYSA-N 2 2 348.426 1.152 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000630397260 451166669 /nfs/dbraw/zinc/16/66/69/451166669.db2.gz NBNCIPZUZLOMJL-UHFFFAOYSA-N 2 2 349.479 1.560 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000635710134 451188775 /nfs/dbraw/zinc/18/87/75/451188775.db2.gz ISMWHMAGGFMTHD-OLZOCXBDSA-N 2 2 348.369 1.340 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000627236415 451202530 /nfs/dbraw/zinc/20/25/30/451202530.db2.gz UMHGODZDMVRIGO-XJKSGUPXSA-N 2 2 336.867 1.918 20 0 EDADLP C[NH+]1CCC(CCO)(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635775786 451233613 /nfs/dbraw/zinc/23/36/13/451233613.db2.gz YVIBNIMVTHIZDE-LBPRGKRZSA-N 2 2 348.369 1.340 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCc4c[nH]nc4C3)c2)CC1 ZINC000634196245 451234077 /nfs/dbraw/zinc/23/40/77/451234077.db2.gz QWZLZIFYHYBOFK-CYBMUJFWSA-N 2 2 340.431 1.300 20 0 EDADLP Cc1nn(C)c(C)c1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634198857 451234976 /nfs/dbraw/zinc/23/49/76/451234976.db2.gz VMMYXTWVCRMCHA-UHFFFAOYSA-N 2 2 342.447 1.365 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)CC2([NH+](C)C)CC2)CC1(C)C ZINC000632390814 451245348 /nfs/dbraw/zinc/24/53/48/451245348.db2.gz KYIILRLHKCLCFO-LBPRGKRZSA-N 2 2 326.466 1.227 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)n1cc[nH+]c1 ZINC000635829946 451277695 /nfs/dbraw/zinc/27/76/95/451277695.db2.gz LESALRJYPMYYHV-HOTGVXAUSA-N 2 2 336.480 1.774 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)n1cc[nH+]c1 ZINC000635829946 451277699 /nfs/dbraw/zinc/27/76/99/451277699.db2.gz LESALRJYPMYYHV-HOTGVXAUSA-N 2 2 336.480 1.774 20 0 EDADLP CC1(C)CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC[N@@H+]1CCO ZINC000635831865 451280976 /nfs/dbraw/zinc/28/09/76/451280976.db2.gz MOWHGVAQZOUMPC-GFCCVEGCSA-N 2 2 348.369 1.292 20 0 EDADLP CC1(C)CN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC[N@H+]1CCO ZINC000635831865 451280983 /nfs/dbraw/zinc/28/09/83/451280983.db2.gz MOWHGVAQZOUMPC-GFCCVEGCSA-N 2 2 348.369 1.292 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000638138676 451314480 /nfs/dbraw/zinc/31/44/80/451314480.db2.gz FREKXMCHGJOBBM-UHFFFAOYSA-N 3 2 348.491 1.727 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000638138676 451314486 /nfs/dbraw/zinc/31/44/86/451314486.db2.gz FREKXMCHGJOBBM-UHFFFAOYSA-N 2 2 348.491 1.727 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)c1c(F)cccc1F ZINC000638119257 451288362 /nfs/dbraw/zinc/28/83/62/451288362.db2.gz MVKCICWUDSYYAN-XJKSGUPXSA-N 2 2 327.375 1.062 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)C12CCC[NH+](CCC1)C2 ZINC000635915639 451361241 /nfs/dbraw/zinc/36/12/41/451361241.db2.gz YGNDJHSGNCRHAM-HNNXBMFYSA-N 2 2 347.463 1.274 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)C12CCC[NH+](CCC1)C2 ZINC000635915639 451361246 /nfs/dbraw/zinc/36/12/46/451361246.db2.gz YGNDJHSGNCRHAM-HNNXBMFYSA-N 2 2 347.463 1.274 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)n1cc[nH+]c1 ZINC000638223703 451366269 /nfs/dbraw/zinc/36/62/69/451366269.db2.gz YTFXJZKOIZOTAT-GJZGRUSLSA-N 2 2 330.436 1.377 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[C@@H]1CCSC1 ZINC000640515722 451366300 /nfs/dbraw/zinc/36/63/00/451366300.db2.gz HFCGFJWTNCZAQB-KFWWJZLASA-N 2 2 341.521 1.039 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C)[C@@H]1CCSC1 ZINC000640515722 451366303 /nfs/dbraw/zinc/36/63/03/451366303.db2.gz HFCGFJWTNCZAQB-KFWWJZLASA-N 2 2 341.521 1.039 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2c(cn1)OCCO2 ZINC000638179016 451339990 /nfs/dbraw/zinc/33/99/90/451339990.db2.gz HCCYYNVEVQPUJX-PMPSAXMXSA-N 2 2 333.432 1.536 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(cn1)OCCO2 ZINC000638179016 451339996 /nfs/dbraw/zinc/33/99/96/451339996.db2.gz HCCYYNVEVQPUJX-PMPSAXMXSA-N 2 2 333.432 1.536 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc2c(c[nH+]1)OCCO2 ZINC000638179016 451340000 /nfs/dbraw/zinc/34/00/00/451340000.db2.gz HCCYYNVEVQPUJX-PMPSAXMXSA-N 2 2 333.432 1.536 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)C1 ZINC000638277143 451395340 /nfs/dbraw/zinc/39/53/40/451395340.db2.gz JXILSWFUXVUERZ-FNHZYXHNSA-N 2 2 349.450 1.798 20 0 EDADLP Cn1c2ccccc2[nH+]c1NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000634573242 451408802 /nfs/dbraw/zinc/40/88/02/451408802.db2.gz IXDWWCUGEIYNHV-UHFFFAOYSA-N 2 2 337.431 1.727 20 0 EDADLP C[NH+]1CCN(c2ccc(NCc3ccc4nccnc4c3)[nH+]c2)CC1 ZINC000634572804 451409407 /nfs/dbraw/zinc/40/94/07/451409407.db2.gz NYFDUJBDFSPYFD-UHFFFAOYSA-N 2 2 334.427 2.389 20 0 EDADLP CCC[C@H](CCO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000636680875 451410768 /nfs/dbraw/zinc/41/07/68/451410768.db2.gz QBWLFMSPSMFHNT-OAHLLOKOSA-N 2 2 340.512 1.395 20 0 EDADLP CC[NH2+][C@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000638325877 451434600 /nfs/dbraw/zinc/43/46/00/451434600.db2.gz LIQSEQSCKGJANL-CABCVRRESA-N 2 2 332.448 1.660 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640618696 451465831 /nfs/dbraw/zinc/46/58/31/451465831.db2.gz DFKSRJHRQKSSAW-UHFFFAOYSA-N 2 2 349.479 1.718 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000638373512 451470224 /nfs/dbraw/zinc/47/02/24/451470224.db2.gz GQTKYIMANNKHOG-UHFFFAOYSA-N 2 2 342.491 1.725 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000638407195 451494733 /nfs/dbraw/zinc/49/47/33/451494733.db2.gz OQORRUYBBRDVIR-OTWHNJEPSA-N 2 2 345.487 1.862 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000638407195 451494736 /nfs/dbraw/zinc/49/47/36/451494736.db2.gz OQORRUYBBRDVIR-OTWHNJEPSA-N 2 2 345.487 1.862 20 0 EDADLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634704291 451480825 /nfs/dbraw/zinc/48/08/25/451480825.db2.gz JGFNOSOAYZJCCE-QAPCUYQASA-N 2 2 328.497 1.377 20 0 EDADLP C[C@H](C[C@H]1CCCC(=O)N1)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000638397767 451487402 /nfs/dbraw/zinc/48/74/02/451487402.db2.gz HGCJAJSRAYDZEY-HUUCEWRRSA-N 2 2 331.464 1.693 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640598147 451443639 /nfs/dbraw/zinc/44/36/39/451443639.db2.gz IEMBSJPUEFZKIH-AWEZNQCLSA-N 3 2 336.484 1.541 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640598147 451443646 /nfs/dbraw/zinc/44/36/46/451443646.db2.gz IEMBSJPUEFZKIH-AWEZNQCLSA-N 3 2 336.484 1.541 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000638489831 451541929 /nfs/dbraw/zinc/54/19/29/451541929.db2.gz OMAWQQDUXSHYMK-LJQANCHMSA-N 2 2 344.503 1.504 20 0 EDADLP Cc1nc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631037357 451545998 /nfs/dbraw/zinc/54/59/98/451545998.db2.gz FDDWQQDOFNPIMN-CQSZACIVSA-N 2 2 332.839 2.087 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000636159587 451554027 /nfs/dbraw/zinc/55/40/27/451554027.db2.gz CZZXECIGECRBSS-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@@H]1CC[NH+](C)C1 ZINC000636159587 451554032 /nfs/dbraw/zinc/55/40/32/451554032.db2.gz CZZXECIGECRBSS-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@@H]1CC[NH+](C)C1 ZINC000636159587 451554037 /nfs/dbraw/zinc/55/40/37/451554037.db2.gz CZZXECIGECRBSS-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP c1cn(-c2ccccc2C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c[nH+]1 ZINC000631050927 451554454 /nfs/dbraw/zinc/55/44/54/451554454.db2.gz LZJKIMDFCCMUIQ-OAHLLOKOSA-N 2 2 338.415 1.790 20 0 EDADLP O=c1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c[nH]1 ZINC000631054471 451557514 /nfs/dbraw/zinc/55/75/14/451557514.db2.gz YBEAQEMSOWXKHX-UHFFFAOYSA-N 2 2 343.427 1.788 20 0 EDADLP c1c(C[NH2+]CCCCNc2cccc[nH+]2)nnn1C[C@H]1CCOC1 ZINC000631062329 451563113 /nfs/dbraw/zinc/56/31/13/451563113.db2.gz SXBAUDDXSCUFMZ-OAHLLOKOSA-N 2 2 330.436 1.692 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000634813464 451568402 /nfs/dbraw/zinc/56/84/02/451568402.db2.gz LYJCKORYWNJHEU-LSDHHAIUSA-N 2 2 333.480 1.875 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000634813464 451568407 /nfs/dbraw/zinc/56/84/07/451568407.db2.gz LYJCKORYWNJHEU-LSDHHAIUSA-N 2 2 333.480 1.875 20 0 EDADLP Cc1nc(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)nc(N)[nH+]1 ZINC000631110916 451590267 /nfs/dbraw/zinc/59/02/67/451590267.db2.gz GDDMNFDMNCMMFO-UHFFFAOYSA-N 2 2 334.468 1.410 20 0 EDADLP Cc1nc(NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)nc(N)[nH+]1 ZINC000631110916 451590274 /nfs/dbraw/zinc/59/02/74/451590274.db2.gz GDDMNFDMNCMMFO-UHFFFAOYSA-N 2 2 334.468 1.410 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000636223529 451600611 /nfs/dbraw/zinc/60/06/11/451600611.db2.gz HHARPSOJXLKNLJ-WMZOPIPTSA-N 2 2 331.460 1.870 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C1 ZINC000636223529 451600615 /nfs/dbraw/zinc/60/06/15/451600615.db2.gz HHARPSOJXLKNLJ-WMZOPIPTSA-N 2 2 331.460 1.870 20 0 EDADLP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1 ZINC000636223529 451600620 /nfs/dbraw/zinc/60/06/20/451600620.db2.gz HHARPSOJXLKNLJ-WMZOPIPTSA-N 2 2 331.460 1.870 20 0 EDADLP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1 ZINC000636223529 451600625 /nfs/dbraw/zinc/60/06/25/451600625.db2.gz HHARPSOJXLKNLJ-WMZOPIPTSA-N 2 2 331.460 1.870 20 0 EDADLP CC(C)[C@@H](CO)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631135310 451602398 /nfs/dbraw/zinc/60/23/98/451602398.db2.gz CMQVCUQRLCHTTP-GOSISDBHSA-N 2 2 336.476 1.752 20 0 EDADLP C[C@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000632843737 451610158 /nfs/dbraw/zinc/61/01/58/451610158.db2.gz CMXWOGRVAVBRDE-CQSZACIVSA-N 2 2 327.432 1.998 20 0 EDADLP C[C@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000632843737 451610162 /nfs/dbraw/zinc/61/01/62/451610162.db2.gz CMXWOGRVAVBRDE-CQSZACIVSA-N 2 2 327.432 1.998 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC000636240262 451610755 /nfs/dbraw/zinc/61/07/55/451610755.db2.gz XSWHVIXNVFDHBM-QZTJIDSGSA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC000636240262 451610759 /nfs/dbraw/zinc/61/07/59/451610759.db2.gz XSWHVIXNVFDHBM-QZTJIDSGSA-N 2 2 331.460 1.726 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631229523 451650638 /nfs/dbraw/zinc/65/06/38/451650638.db2.gz MMZBWFJODNEQIJ-GDBMZVCRSA-N 2 2 325.478 1.036 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631229523 451650644 /nfs/dbraw/zinc/65/06/44/451650644.db2.gz MMZBWFJODNEQIJ-GDBMZVCRSA-N 2 2 325.478 1.036 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000635017528 451651460 /nfs/dbraw/zinc/65/14/60/451651460.db2.gz DZFHUVWZUNCCAB-FPMFFAJLSA-N 2 2 327.354 1.930 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000631274686 451675920 /nfs/dbraw/zinc/67/59/20/451675920.db2.gz SOFNRAHBHITCNV-HZPDHXFCSA-N 2 2 333.480 2.296 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnn1CC1CCC1 ZINC000631276626 451677363 /nfs/dbraw/zinc/67/73/63/451677363.db2.gz RHKFPRJOEXLQGB-UHFFFAOYSA-N 2 2 347.507 1.781 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnn1CC1CCC1 ZINC000631276626 451677367 /nfs/dbraw/zinc/67/73/67/451677367.db2.gz RHKFPRJOEXLQGB-UHFFFAOYSA-N 2 2 347.507 1.781 20 0 EDADLP COc1cccc(-c2c(C)[nH]nc2NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000638759178 451683014 /nfs/dbraw/zinc/68/30/14/451683014.db2.gz GKBSQUKJLXFFLT-CQSZACIVSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1nc(N2CCC[C@](O)(C[NH+](C)C)C2)c(Br)c(C)[nH+]1 ZINC000631344234 451703272 /nfs/dbraw/zinc/70/32/72/451703272.db2.gz MPPPDMUBHZKEHJ-AWEZNQCLSA-N 2 2 343.269 1.749 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)Cc1ccccc1 ZINC000636472097 451725059 /nfs/dbraw/zinc/72/50/59/451725059.db2.gz VHJTUGHLLBPCFG-JKSUJKDBSA-N 2 2 327.432 1.280 20 0 EDADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636475641 451727826 /nfs/dbraw/zinc/72/78/26/451727826.db2.gz ZGYCQGSOLRKUBS-HOTGVXAUSA-N 2 2 325.416 1.382 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636475641 451727828 /nfs/dbraw/zinc/72/78/28/451727828.db2.gz ZGYCQGSOLRKUBS-HOTGVXAUSA-N 2 2 325.416 1.382 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000638987492 451747718 /nfs/dbraw/zinc/74/77/18/451747718.db2.gz ROADNQPSGHOXOT-IMJJTQAJSA-N 3 2 329.448 1.350 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1Br ZINC000639035282 451755294 /nfs/dbraw/zinc/75/52/94/451755294.db2.gz BGUFUGOLPVPRSW-ZDUSSCGKSA-N 2 2 328.254 1.653 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000641164443 451766896 /nfs/dbraw/zinc/76/68/96/451766896.db2.gz ONYWIAMYWZRSGG-ZWKOTPCHSA-N 2 2 338.415 1.999 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000639176429 451786368 /nfs/dbraw/zinc/78/63/68/451786368.db2.gz GMYUWMPOGVBNIF-INIZCTEOSA-N 2 2 346.479 1.986 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000639176429 451786371 /nfs/dbraw/zinc/78/63/71/451786371.db2.gz GMYUWMPOGVBNIF-INIZCTEOSA-N 2 2 346.479 1.986 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000639178318 451786713 /nfs/dbraw/zinc/78/67/13/451786713.db2.gz KBDIFLRKFKQCQF-XHDPSFHLSA-N 2 2 329.441 1.245 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000639178318 451786716 /nfs/dbraw/zinc/78/67/16/451786716.db2.gz KBDIFLRKFKQCQF-XHDPSFHLSA-N 2 2 329.441 1.245 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000639178318 451786718 /nfs/dbraw/zinc/78/67/18/451786718.db2.gz KBDIFLRKFKQCQF-XHDPSFHLSA-N 2 2 329.441 1.245 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1F ZINC000639178318 451786721 /nfs/dbraw/zinc/78/67/21/451786721.db2.gz KBDIFLRKFKQCQF-XHDPSFHLSA-N 2 2 329.441 1.245 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000641221822 451787866 /nfs/dbraw/zinc/78/78/66/451787866.db2.gz JFBXUJPTPIPFMU-QGZVFWFLSA-N 2 2 335.427 1.408 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(C[NH2+]Cc2ccc(F)cc2)nn1 ZINC000641221822 451787867 /nfs/dbraw/zinc/78/78/67/451787867.db2.gz JFBXUJPTPIPFMU-QGZVFWFLSA-N 2 2 335.427 1.408 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000653275386 451808861 /nfs/dbraw/zinc/80/88/61/451808861.db2.gz DOCWUEHVRCHHNN-WMZOPIPTSA-N 2 2 349.475 1.130 20 0 EDADLP Cc1ccc(C(C)(C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc1 ZINC000637397758 451826581 /nfs/dbraw/zinc/82/65/81/451826581.db2.gz ZJHHAJHBVVXETD-UHFFFAOYSA-N 2 2 349.523 1.850 20 0 EDADLP Cc1ccc(C(C)(C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)nc1 ZINC000637397758 451826588 /nfs/dbraw/zinc/82/65/88/451826588.db2.gz ZJHHAJHBVVXETD-UHFFFAOYSA-N 2 2 349.523 1.850 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)Oc2ccccc2)C[C@H](C)O1 ZINC000644567220 451866002 /nfs/dbraw/zinc/86/60/02/451866002.db2.gz OFBLZTDWBFATMG-BBWFWOEESA-N 2 2 336.476 1.904 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)Oc2ccccc2)C[C@H](C)O1 ZINC000644567220 451866005 /nfs/dbraw/zinc/86/60/05/451866005.db2.gz OFBLZTDWBFATMG-BBWFWOEESA-N 2 2 336.476 1.904 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)C1CC1 ZINC000644585068 451878787 /nfs/dbraw/zinc/87/87/87/451878787.db2.gz BFAWJDBYMZHKOX-RTBURBONSA-N 2 2 345.487 1.265 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)C1CC1 ZINC000644585068 451878795 /nfs/dbraw/zinc/87/87/95/451878795.db2.gz BFAWJDBYMZHKOX-RTBURBONSA-N 2 2 345.487 1.265 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646913664 451931643 /nfs/dbraw/zinc/93/16/43/451931643.db2.gz LBNVLBMMICCJMY-RCCFBDPRSA-N 2 2 329.444 1.050 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646913664 451931646 /nfs/dbraw/zinc/93/16/46/451931646.db2.gz LBNVLBMMICCJMY-RCCFBDPRSA-N 2 2 329.444 1.050 20 0 EDADLP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646913664 451931653 /nfs/dbraw/zinc/93/16/53/451931653.db2.gz LBNVLBMMICCJMY-RCCFBDPRSA-N 2 2 329.444 1.050 20 0 EDADLP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000646913664 451931657 /nfs/dbraw/zinc/93/16/57/451931657.db2.gz LBNVLBMMICCJMY-RCCFBDPRSA-N 2 2 329.444 1.050 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1CC[C@H](C[NH+](C)C)C1)C(F)(F)F ZINC000646956621 451967811 /nfs/dbraw/zinc/96/78/11/451967811.db2.gz UJBKEQNENGKROM-NEPJUHHUSA-N 2 2 332.370 1.866 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000649285846 451958614 /nfs/dbraw/zinc/95/86/14/451958614.db2.gz YTTVWZVHYQOSGR-AWEZNQCLSA-N 2 2 330.432 1.012 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)COC3(C)C[NH2+]C3)c[nH+]2)CC1 ZINC000649289277 451964467 /nfs/dbraw/zinc/96/44/67/451964467.db2.gz HTLPMEFGMNODBK-UHFFFAOYSA-N 2 2 332.448 1.313 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000649295441 451970472 /nfs/dbraw/zinc/97/04/72/451970472.db2.gz KGLWNEMHZTZAIO-HLLBOEOZSA-N 2 2 347.459 1.470 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000649295441 451970476 /nfs/dbraw/zinc/97/04/76/451970476.db2.gz KGLWNEMHZTZAIO-HLLBOEOZSA-N 2 2 347.459 1.470 20 0 EDADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000639646584 451997282 /nfs/dbraw/zinc/99/72/82/451997282.db2.gz POADOOHXEDHLGU-CQSZACIVSA-N 2 2 342.509 1.345 20 0 EDADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000639646584 451997289 /nfs/dbraw/zinc/99/72/89/451997289.db2.gz POADOOHXEDHLGU-CQSZACIVSA-N 2 2 342.509 1.345 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000649320633 452000449 /nfs/dbraw/zinc/00/04/49/452000449.db2.gz RLZJTAGNOAKMKG-INIZCTEOSA-N 2 2 331.460 1.145 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000649320633 452000451 /nfs/dbraw/zinc/00/04/51/452000451.db2.gz RLZJTAGNOAKMKG-INIZCTEOSA-N 2 2 331.460 1.145 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649337344 452017603 /nfs/dbraw/zinc/01/76/03/452017603.db2.gz CIOBNJKVNNUZPC-INIZCTEOSA-N 2 2 333.432 1.002 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000653590935 452029884 /nfs/dbraw/zinc/02/98/84/452029884.db2.gz HHANFJBPDLYJGR-CYBMUJFWSA-N 2 2 342.399 1.967 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000653590935 452029888 /nfs/dbraw/zinc/02/98/88/452029888.db2.gz HHANFJBPDLYJGR-CYBMUJFWSA-N 2 2 342.399 1.967 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643071086 452032967 /nfs/dbraw/zinc/03/29/67/452032967.db2.gz WMYKPGAMKIPUCV-PBHICJAKSA-N 2 2 327.428 1.747 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643071086 452032975 /nfs/dbraw/zinc/03/29/75/452032975.db2.gz WMYKPGAMKIPUCV-PBHICJAKSA-N 2 2 327.428 1.747 20 0 EDADLP C[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649351057 452033512 /nfs/dbraw/zinc/03/35/12/452033512.db2.gz HQLGOTDEUZFTQJ-INIZCTEOSA-N 2 2 338.883 1.484 20 0 EDADLP C[NH+]1CCC(CNC(=O)C2CCC([NH3+])CC2)([NH+]2CCCCC2)CC1 ZINC000649352645 452037730 /nfs/dbraw/zinc/03/77/30/452037730.db2.gz BVOGYONTQOWATJ-UHFFFAOYSA-N 3 2 336.524 1.570 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)s1 ZINC000649352558 452037793 /nfs/dbraw/zinc/03/77/93/452037793.db2.gz WLIFGVHCRLZUAM-HNNXBMFYSA-N 2 2 336.505 1.874 20 0 EDADLP COc1cccc(NC(=O)CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000653644901 452057095 /nfs/dbraw/zinc/05/70/95/452057095.db2.gz WHPQMAHGUFSIFQ-UHFFFAOYSA-N 2 2 329.404 1.569 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637753323 452057864 /nfs/dbraw/zinc/05/78/64/452057864.db2.gz RGXFOEGRIOHQHW-INIZCTEOSA-N 2 2 327.432 1.825 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)cn21 ZINC000647098049 452059650 /nfs/dbraw/zinc/05/96/50/452059650.db2.gz DQPLQVWYZVKTER-DLBZAZTESA-N 2 2 326.444 1.937 20 0 EDADLP c1ccc(C[NH+]2CCN(Cc3nc([C@@H]4CCC[NH2+]4)no3)CC2)cc1 ZINC000647152529 452092910 /nfs/dbraw/zinc/09/29/10/452092910.db2.gz HUCONPILWPVWEP-INIZCTEOSA-N 2 2 327.432 1.812 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762260 452101188 /nfs/dbraw/zinc/10/11/88/452101188.db2.gz LROKINUFKXVJKY-FXAWDEMLSA-N 2 2 347.503 1.431 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762260 452101193 /nfs/dbraw/zinc/10/11/93/452101193.db2.gz LROKINUFKXVJKY-FXAWDEMLSA-N 2 2 347.503 1.431 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763361 452104193 /nfs/dbraw/zinc/10/41/93/452104193.db2.gz CONBQYXWXJXLNY-CRAIPNDOSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763361 452104196 /nfs/dbraw/zinc/10/41/96/452104196.db2.gz CONBQYXWXJXLNY-CRAIPNDOSA-N 2 2 325.497 1.555 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)[nH+]c12 ZINC000645013865 452113679 /nfs/dbraw/zinc/11/36/79/452113679.db2.gz CTOGZVPPDIXDAP-DOTOQJQBSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)[nH+]c12 ZINC000645013865 452113683 /nfs/dbraw/zinc/11/36/83/452113683.db2.gz CTOGZVPPDIXDAP-DOTOQJQBSA-N 2 2 341.459 1.921 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CC1 ZINC000639792670 452131301 /nfs/dbraw/zinc/13/13/01/452131301.db2.gz KVCMDFZAQFZCHA-MRXNPFEDSA-N 2 2 339.443 1.193 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CC1 ZINC000639792670 452131305 /nfs/dbraw/zinc/13/13/05/452131305.db2.gz KVCMDFZAQFZCHA-MRXNPFEDSA-N 2 2 339.443 1.193 20 0 EDADLP Cc1cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc2cccnc12 ZINC000651891271 452148469 /nfs/dbraw/zinc/14/84/69/452148469.db2.gz PBEBOXVUOODHML-UHFFFAOYSA-N 2 2 326.444 1.749 20 0 EDADLP Cc1cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc2cccnc12 ZINC000651891271 452148476 /nfs/dbraw/zinc/14/84/76/452148476.db2.gz PBEBOXVUOODHML-UHFFFAOYSA-N 2 2 326.444 1.749 20 0 EDADLP Oc1cccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1Cl ZINC000645156445 452181915 /nfs/dbraw/zinc/18/19/15/452181915.db2.gz CLWZIKZHSPJUAX-HNNXBMFYSA-N 2 2 339.867 1.542 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645208361 452212506 /nfs/dbraw/zinc/21/25/06/452212506.db2.gz QHQKRYUXQFWOCL-UHFFFAOYSA-N 2 2 333.436 1.063 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645208361 452212509 /nfs/dbraw/zinc/21/25/09/452212509.db2.gz QHQKRYUXQFWOCL-UHFFFAOYSA-N 2 2 333.436 1.063 20 0 EDADLP CCc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)nc(C)[nH+]1 ZINC000641719787 452217457 /nfs/dbraw/zinc/21/74/57/452217457.db2.gz WZXRWVLBXYFFHX-KRWDZBQOSA-N 2 2 333.480 1.556 20 0 EDADLP CCc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc(C)[nH+]1 ZINC000641719787 452217462 /nfs/dbraw/zinc/21/74/62/452217462.db2.gz WZXRWVLBXYFFHX-KRWDZBQOSA-N 2 2 333.480 1.556 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000643440790 452222733 /nfs/dbraw/zinc/22/27/33/452222733.db2.gz YNGNIHMDEQSXJL-GJZGRUSLSA-N 2 2 345.443 1.159 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462956 452234735 /nfs/dbraw/zinc/23/47/35/452234735.db2.gz SOHGDYJISHLEFF-BPLDGKMQSA-N 2 2 325.403 1.900 20 0 EDADLP C[C@@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1[nH+]ccn1C ZINC000661446138 452246867 /nfs/dbraw/zinc/24/68/67/452246867.db2.gz ZPIISRGZVKCAEM-CQSZACIVSA-N 2 2 349.479 1.671 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[NH+](C3CCC(C)CC3)CC2)nc[nH+]1 ZINC000665701470 452262139 /nfs/dbraw/zinc/26/21/39/452262139.db2.gz QZCAUUDTOCUDMW-HWOWSKLDSA-N 2 2 333.480 1.970 20 0 EDADLP Cc1nc(CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000663557238 452266820 /nfs/dbraw/zinc/26/68/20/452266820.db2.gz PPARVUJTGHGKKI-UHFFFAOYSA-N 2 2 327.498 1.177 20 0 EDADLP Cc1nc(CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cs1 ZINC000663557238 452266828 /nfs/dbraw/zinc/26/68/28/452266828.db2.gz PPARVUJTGHGKKI-UHFFFAOYSA-N 2 2 327.498 1.177 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659424742 452267521 /nfs/dbraw/zinc/26/75/21/452267521.db2.gz FBYAZWWNXSRUEX-TVRKMHQQSA-N 2 2 344.459 1.020 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659424742 452267530 /nfs/dbraw/zinc/26/75/30/452267530.db2.gz FBYAZWWNXSRUEX-TVRKMHQQSA-N 2 2 344.459 1.020 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502904 452269325 /nfs/dbraw/zinc/26/93/25/452269325.db2.gz UXWNXUPOEWVQGX-UONOGXRCSA-N 2 2 325.478 1.744 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487506 452284704 /nfs/dbraw/zinc/28/47/04/452284704.db2.gz GORGBDNQBMAIOT-SZOQZIPDSA-N 2 2 335.448 1.309 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487506 452284713 /nfs/dbraw/zinc/28/47/13/452284713.db2.gz GORGBDNQBMAIOT-SZOQZIPDSA-N 2 2 335.448 1.309 20 0 EDADLP C[C@@H](CNC(=O)[C@@H](N)c1c(F)cccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488405 452285461 /nfs/dbraw/zinc/28/54/61/452285461.db2.gz YSCPJCRNMDVIDW-OVZMXSCWSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488405 452285470 /nfs/dbraw/zinc/28/54/70/452285470.db2.gz YSCPJCRNMDVIDW-OVZMXSCWSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488405 452285479 /nfs/dbraw/zinc/28/54/79/452285479.db2.gz YSCPJCRNMDVIDW-OVZMXSCWSA-N 2 2 341.402 1.579 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000643537583 452300182 /nfs/dbraw/zinc/30/01/82/452300182.db2.gz MDTJKGJXASFJLH-ZLDLUXBVSA-N 2 2 329.441 1.799 20 0 EDADLP Cc1nnc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1C ZINC000639977527 452311213 /nfs/dbraw/zinc/31/12/13/452311213.db2.gz ORNZKEITUANKCW-UHFFFAOYSA-N 2 2 337.431 1.631 20 0 EDADLP [NH3+]CC1(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000652129093 452325789 /nfs/dbraw/zinc/32/57/89/452325789.db2.gz VUZNSFHRTKZVET-KRWDZBQOSA-N 2 2 346.475 1.488 20 0 EDADLP [NH3+]C[C@@]1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCOC1 ZINC000638051787 452326061 /nfs/dbraw/zinc/32/60/61/452326061.db2.gz QXAUVMJVFLFJAE-SFHVURJKSA-N 2 2 333.432 1.213 20 0 EDADLP CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000655517919 452328897 /nfs/dbraw/zinc/32/88/97/452328897.db2.gz MTQGNRGNJKOBJW-LLVKDONJSA-N 2 2 329.347 1.246 20 0 EDADLP [NH3+]C/C=C/CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000641870731 452335564 /nfs/dbraw/zinc/33/55/64/452335564.db2.gz ZOKYSRLPOUSTBR-MULDZMIYSA-N 2 2 325.416 1.926 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659483588 452344857 /nfs/dbraw/zinc/34/48/57/452344857.db2.gz ARKIOSQOILKHPT-CVEARBPZSA-N 2 2 331.464 1.619 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663614299 452345747 /nfs/dbraw/zinc/34/57/47/452345747.db2.gz RHTFCQKMQGYXDV-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663614299 452345759 /nfs/dbraw/zinc/34/57/59/452345759.db2.gz RHTFCQKMQGYXDV-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663614299 452345772 /nfs/dbraw/zinc/34/57/72/452345772.db2.gz RHTFCQKMQGYXDV-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663614299 452345786 /nfs/dbraw/zinc/34/57/86/452345786.db2.gz RHTFCQKMQGYXDV-OAHLLOKOSA-N 2 2 333.480 1.606 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c[nH+]1 ZINC000663623796 452358812 /nfs/dbraw/zinc/35/88/12/452358812.db2.gz GRIGXKQCLCOGEH-MRXNPFEDSA-N 2 2 349.479 1.400 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638069623 452373413 /nfs/dbraw/zinc/37/34/13/452373413.db2.gz LPEWNXMYFUGUGD-FZMZJTMJSA-N 2 2 345.365 1.542 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000638079394 452394966 /nfs/dbraw/zinc/39/49/66/452394966.db2.gz NANYANFRZKFKSA-GOEBONIOSA-N 2 2 329.510 1.074 20 0 EDADLP CCOc1ccccc1OCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057931 452400051 /nfs/dbraw/zinc/40/00/51/452400051.db2.gz IZPQCLSIMJKBSR-UHFFFAOYSA-N 2 2 335.448 1.170 20 0 EDADLP CCOc1ccccc1OCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057931 452400060 /nfs/dbraw/zinc/40/00/60/452400060.db2.gz IZPQCLSIMJKBSR-UHFFFAOYSA-N 2 2 335.448 1.170 20 0 EDADLP CCO[C@@H]1CN(C(=O)NCCc2cn3c(cccc3C)[nH+]2)C[C@H]1C[NH3+] ZINC000652225248 452416965 /nfs/dbraw/zinc/41/69/65/452416965.db2.gz UCLXSOLIFCMWRR-GDBMZVCRSA-N 2 2 345.447 1.190 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000665875091 452432083 /nfs/dbraw/zinc/43/20/83/452432083.db2.gz YTUWXSKGEVVJNK-UHFFFAOYSA-N 2 2 336.484 1.779 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000665875091 452432094 /nfs/dbraw/zinc/43/20/94/452432094.db2.gz YTUWXSKGEVVJNK-UHFFFAOYSA-N 2 2 336.484 1.779 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)C[NH+]1CCCCC1 ZINC000663754337 452483394 /nfs/dbraw/zinc/48/33/94/452483394.db2.gz GMEYWCGLAWJJBW-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)C[NH+]1CCCCC1 ZINC000663754337 452483404 /nfs/dbraw/zinc/48/34/04/452483404.db2.gz GMEYWCGLAWJJBW-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cc(F)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000659627131 452484335 /nfs/dbraw/zinc/48/43/35/452484335.db2.gz WIUZFUKZQFCSLB-LBPRGKRZSA-N 2 2 346.353 1.211 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc(F)ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000659627131 452484340 /nfs/dbraw/zinc/48/43/40/452484340.db2.gz WIUZFUKZQFCSLB-LBPRGKRZSA-N 2 2 346.353 1.211 20 0 EDADLP COc1cccc([C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000663755256 452485758 /nfs/dbraw/zinc/48/57/58/452485758.db2.gz IGGCYDSHXLWZLQ-HNNXBMFYSA-N 2 2 336.480 1.939 20 0 EDADLP COc1cccc([C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000663755256 452485766 /nfs/dbraw/zinc/48/57/66/452485766.db2.gz IGGCYDSHXLWZLQ-HNNXBMFYSA-N 2 2 336.480 1.939 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000659639124 452503060 /nfs/dbraw/zinc/50/30/60/452503060.db2.gz NYHILBLHCPVGCG-HNNXBMFYSA-N 2 2 334.464 1.439 20 0 EDADLP COCCOc1ncccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655691239 452513359 /nfs/dbraw/zinc/51/33/59/452513359.db2.gz QXKDVUNMLHJNPT-KRWDZBQOSA-N 2 2 335.448 1.450 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355469 452533086 /nfs/dbraw/zinc/53/30/86/452533086.db2.gz YVKLMCOQFPPLJO-PBHICJAKSA-N 2 2 340.489 1.918 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652355469 452533091 /nfs/dbraw/zinc/53/30/91/452533091.db2.gz YVKLMCOQFPPLJO-PBHICJAKSA-N 2 2 340.489 1.918 20 0 EDADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000652357819 452536257 /nfs/dbraw/zinc/53/62/57/452536257.db2.gz DIRPOTKVJYYUON-CKEIUWERSA-N 2 2 335.448 1.708 20 0 EDADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000652357819 452536266 /nfs/dbraw/zinc/53/62/66/452536266.db2.gz DIRPOTKVJYYUON-CKEIUWERSA-N 2 2 335.448 1.708 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655734034 452545007 /nfs/dbraw/zinc/54/50/07/452545007.db2.gz XVNDQRJEJNCDRQ-CEXWTWQISA-N 3 2 337.508 1.207 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC3CC(F)(F)C3)C2)CC1 ZINC000652370539 452557390 /nfs/dbraw/zinc/55/73/90/452557390.db2.gz BURRMRIZKJDFJN-AWEZNQCLSA-N 2 2 344.450 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC3CC(F)(F)C3)C2)CC1 ZINC000652370539 452557401 /nfs/dbraw/zinc/55/74/01/452557401.db2.gz BURRMRIZKJDFJN-AWEZNQCLSA-N 2 2 344.450 1.890 20 0 EDADLP CCO[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370867 452558481 /nfs/dbraw/zinc/55/84/81/452558481.db2.gz TXNNRFLIAMYKPI-USXIJHARSA-N 2 2 338.496 1.412 20 0 EDADLP CCO[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370867 452558483 /nfs/dbraw/zinc/55/84/83/452558483.db2.gz TXNNRFLIAMYKPI-USXIJHARSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1ccncc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370804 452560099 /nfs/dbraw/zinc/56/00/99/452560099.db2.gz PSPIKQPZTBHABG-INIZCTEOSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1ccncc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370804 452560107 /nfs/dbraw/zinc/56/01/07/452560107.db2.gz PSPIKQPZTBHABG-INIZCTEOSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCO1 ZINC000655760011 452562923 /nfs/dbraw/zinc/56/29/23/452562923.db2.gz UVNSJPUZLKTFTE-PKOBYXMFSA-N 3 2 339.524 1.720 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000647834790 452568046 /nfs/dbraw/zinc/56/80/46/452568046.db2.gz UXIQTPGDDNQTGN-UHFFFAOYSA-N 2 2 344.381 1.481 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000647834790 452568054 /nfs/dbraw/zinc/56/80/54/452568054.db2.gz UXIQTPGDDNQTGN-UHFFFAOYSA-N 2 2 344.381 1.481 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654506152 452580433 /nfs/dbraw/zinc/58/04/33/452580433.db2.gz PCXQGPAHOLRCKE-IKGGRYGDSA-N 2 2 343.475 1.976 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000647848210 452581965 /nfs/dbraw/zinc/58/19/65/452581965.db2.gz LCJFOQZFZPKLHS-UHFFFAOYSA-N 2 2 333.354 1.525 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000647848210 452581971 /nfs/dbraw/zinc/58/19/71/452581971.db2.gz LCJFOQZFZPKLHS-UHFFFAOYSA-N 2 2 333.354 1.525 20 0 EDADLP CN1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1=O ZINC000661805583 452588654 /nfs/dbraw/zinc/58/86/54/452588654.db2.gz MSANWIXPKCXYIP-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP CN1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CCC1=O ZINC000661805583 452588658 /nfs/dbraw/zinc/58/86/58/452588658.db2.gz MSANWIXPKCXYIP-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP CN1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1=O ZINC000661805583 452588665 /nfs/dbraw/zinc/58/86/65/452588665.db2.gz MSANWIXPKCXYIP-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP CN1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1=O ZINC000661805583 452588668 /nfs/dbraw/zinc/58/86/68/452588668.db2.gz MSANWIXPKCXYIP-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000657991469 452665513 /nfs/dbraw/zinc/66/55/13/452665513.db2.gz VZZXUYWRYVUVNN-SJLPKXTDSA-N 2 2 329.448 1.547 20 0 EDADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000657991469 452665523 /nfs/dbraw/zinc/66/55/23/452665523.db2.gz VZZXUYWRYVUVNN-SJLPKXTDSA-N 2 2 329.448 1.547 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647936390 452675277 /nfs/dbraw/zinc/67/52/77/452675277.db2.gz CLRVUJRQTUJNGA-CZUORRHYSA-N 2 2 339.867 1.894 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000647936390 452675283 /nfs/dbraw/zinc/67/52/83/452675283.db2.gz CLRVUJRQTUJNGA-CZUORRHYSA-N 2 2 339.867 1.894 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccccc2F)CC[C@@H]1[NH3+] ZINC000647936427 452677354 /nfs/dbraw/zinc/67/73/54/452677354.db2.gz DJVKXXIVUNQMJN-ZBFHGGJFSA-N 2 2 337.439 1.722 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccccc2F)CC[C@@H]1[NH3+] ZINC000647936427 452677359 /nfs/dbraw/zinc/67/73/59/452677359.db2.gz DJVKXXIVUNQMJN-ZBFHGGJFSA-N 2 2 337.439 1.722 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCCc2c(F)cccc2F)C1 ZINC000655937900 452706658 /nfs/dbraw/zinc/70/66/58/452706658.db2.gz HKXRBXCJQQSSHX-AWEZNQCLSA-N 2 2 337.414 1.794 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000655937900 452706664 /nfs/dbraw/zinc/70/66/64/452706664.db2.gz HKXRBXCJQQSSHX-AWEZNQCLSA-N 2 2 337.414 1.794 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655953650 452728004 /nfs/dbraw/zinc/72/80/04/452728004.db2.gz JYJGDDPAUIFFAJ-HNNXBMFYSA-N 2 2 334.420 1.096 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664034487 452732451 /nfs/dbraw/zinc/73/24/51/452732451.db2.gz WZFVYZSZOSBOFN-IAGOWNOFSA-N 3 2 341.544 1.432 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664034487 452732456 /nfs/dbraw/zinc/73/24/56/452732456.db2.gz WZFVYZSZOSBOFN-IAGOWNOFSA-N 3 2 341.544 1.432 20 0 EDADLP O=C(CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000647990942 452732625 /nfs/dbraw/zinc/73/26/25/452732625.db2.gz XKSUAOKBLAHILK-CQSZACIVSA-N 2 2 336.867 1.506 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650997 452748111 /nfs/dbraw/zinc/74/81/11/452748111.db2.gz ROPXQCFJZCXWQT-WCXIOVBPSA-N 2 2 340.512 1.466 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650997 452748117 /nfs/dbraw/zinc/74/81/17/452748117.db2.gz ROPXQCFJZCXWQT-WCXIOVBPSA-N 2 2 340.512 1.466 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650997 452748124 /nfs/dbraw/zinc/74/81/24/452748124.db2.gz ROPXQCFJZCXWQT-WCXIOVBPSA-N 2 2 340.512 1.466 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650997 452748128 /nfs/dbraw/zinc/74/81/28/452748128.db2.gz ROPXQCFJZCXWQT-WCXIOVBPSA-N 2 2 340.512 1.466 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650996 452748330 /nfs/dbraw/zinc/74/83/30/452748330.db2.gz ROPXQCFJZCXWQT-NXOAAHMSSA-N 2 2 340.512 1.466 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650996 452748336 /nfs/dbraw/zinc/74/83/36/452748336.db2.gz ROPXQCFJZCXWQT-NXOAAHMSSA-N 2 2 340.512 1.466 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650996 452748344 /nfs/dbraw/zinc/74/83/44/452748344.db2.gz ROPXQCFJZCXWQT-NXOAAHMSSA-N 2 2 340.512 1.466 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650996 452748347 /nfs/dbraw/zinc/74/83/47/452748347.db2.gz ROPXQCFJZCXWQT-NXOAAHMSSA-N 2 2 340.512 1.466 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000664077652 452771270 /nfs/dbraw/zinc/77/12/70/452771270.db2.gz SMRJDMTUFCKOFD-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000664077652 452771277 /nfs/dbraw/zinc/77/12/77/452771277.db2.gz SMRJDMTUFCKOFD-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664077652 452771285 /nfs/dbraw/zinc/77/12/85/452771285.db2.gz SMRJDMTUFCKOFD-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664077652 452771295 /nfs/dbraw/zinc/77/12/95/452771295.db2.gz SMRJDMTUFCKOFD-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP CO[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000656022600 452809568 /nfs/dbraw/zinc/80/95/68/452809568.db2.gz LXBCNHOYNCVKLQ-SJORKVTESA-N 2 2 338.496 1.221 20 0 EDADLP CO[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000656022600 452809570 /nfs/dbraw/zinc/80/95/70/452809570.db2.gz LXBCNHOYNCVKLQ-SJORKVTESA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)CO1 ZINC000664150727 452823755 /nfs/dbraw/zinc/82/37/55/452823755.db2.gz ATEWETWSIRXIQX-BZUAXINKSA-N 2 2 342.528 1.761 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)CO1 ZINC000664150727 452823763 /nfs/dbraw/zinc/82/37/63/452823763.db2.gz ATEWETWSIRXIQX-BZUAXINKSA-N 2 2 342.528 1.761 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000658295395 452835136 /nfs/dbraw/zinc/83/51/36/452835136.db2.gz SBVJVXOLGVIBAV-KSSFIOAISA-N 2 2 342.447 1.566 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000658294515 452835250 /nfs/dbraw/zinc/83/52/50/452835250.db2.gz ICFVQYUUGGLQGE-XJKSGUPXSA-N 2 2 345.443 1.921 20 0 EDADLP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000648152266 452862445 /nfs/dbraw/zinc/86/24/45/452862445.db2.gz FBHVEDSQMYOHAO-CYBMUJFWSA-N 2 2 344.431 1.422 20 0 EDADLP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000648152266 452862450 /nfs/dbraw/zinc/86/24/50/452862450.db2.gz FBHVEDSQMYOHAO-CYBMUJFWSA-N 2 2 344.431 1.422 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C1 ZINC000662153482 452888022 /nfs/dbraw/zinc/88/80/22/452888022.db2.gz CABXSIGPXJMBSO-KRWDZBQOSA-N 2 2 342.443 1.810 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)C1 ZINC000662153482 452888035 /nfs/dbraw/zinc/88/80/35/452888035.db2.gz CABXSIGPXJMBSO-KRWDZBQOSA-N 2 2 342.443 1.810 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000648176596 452890015 /nfs/dbraw/zinc/89/00/15/452890015.db2.gz CUONUTDPNGLQPZ-GDBMZVCRSA-N 2 2 327.432 1.965 20 0 EDADLP O[C@@H](COc1ccccc1F)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662161991 452900948 /nfs/dbraw/zinc/90/09/48/452900948.db2.gz YEARNIRRHZCUTG-HZPDHXFCSA-N 2 2 338.423 1.096 20 0 EDADLP O[C@@H](COc1ccccc1F)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662161991 452900952 /nfs/dbraw/zinc/90/09/52/452900952.db2.gz YEARNIRRHZCUTG-HZPDHXFCSA-N 2 2 338.423 1.096 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662162039 452901235 /nfs/dbraw/zinc/90/12/35/452901235.db2.gz YXAOEMWHUSCAEK-OALUTQOASA-N 2 2 348.487 1.574 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662162039 452901241 /nfs/dbraw/zinc/90/12/41/452901241.db2.gz YXAOEMWHUSCAEK-OALUTQOASA-N 2 2 348.487 1.574 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(C[NH3+])cc3F)cn2)CC1 ZINC000650717882 452950442 /nfs/dbraw/zinc/95/04/42/452950442.db2.gz PQBHBEIVJACIRH-UHFFFAOYSA-N 3 2 344.438 1.116 20 0 EDADLP Cc1ccc(F)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658425525 452951354 /nfs/dbraw/zinc/95/13/54/452951354.db2.gz BGINBXUHUCNOGF-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1ccc(F)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658425525 452951366 /nfs/dbraw/zinc/95/13/66/452951366.db2.gz BGINBXUHUCNOGF-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977517 452963511 /nfs/dbraw/zinc/96/35/11/452963511.db2.gz DYIIJYYJQQVOED-QAPCUYQASA-N 3 2 330.476 1.280 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977517 452963521 /nfs/dbraw/zinc/96/35/21/452963521.db2.gz DYIIJYYJQQVOED-QAPCUYQASA-N 3 2 330.476 1.280 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645977517 452963532 /nfs/dbraw/zinc/96/35/32/452963532.db2.gz DYIIJYYJQQVOED-QAPCUYQASA-N 2 2 330.476 1.280 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[nH]1 ZINC000660071074 452985164 /nfs/dbraw/zinc/98/51/64/452985164.db2.gz GNDPHIJNKIMZHW-CQSZACIVSA-N 2 2 348.495 1.304 20 0 EDADLP C[C@H]1CCN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c2ccccc2S1 ZINC000662285700 453009647 /nfs/dbraw/zinc/00/96/47/453009647.db2.gz OGHAKLQKUMABDC-AWEZNQCLSA-N 2 2 349.500 1.608 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662298335 453021292 /nfs/dbraw/zinc/02/12/92/453021292.db2.gz XUFKMKQRFFPXNN-KBPBESRZSA-N 2 2 335.448 1.342 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662298335 453021298 /nfs/dbraw/zinc/02/12/98/453021298.db2.gz XUFKMKQRFFPXNN-KBPBESRZSA-N 2 2 335.448 1.342 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NCCOc2ccccc2)CCO1 ZINC000662318393 453031985 /nfs/dbraw/zinc/03/19/85/453031985.db2.gz ZQDKEQJMMXBZFM-GOSISDBHSA-N 2 2 349.475 1.224 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NCCOc2ccccc2)CCO1 ZINC000662318393 453031997 /nfs/dbraw/zinc/03/19/97/453031997.db2.gz ZQDKEQJMMXBZFM-GOSISDBHSA-N 2 2 349.475 1.224 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)on2)cn1 ZINC000662321291 453037588 /nfs/dbraw/zinc/03/75/88/453037588.db2.gz AYEQAMXWQYRZPZ-HNNXBMFYSA-N 2 2 333.436 1.618 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)on2)cn1 ZINC000662321291 453037599 /nfs/dbraw/zinc/03/75/99/453037599.db2.gz AYEQAMXWQYRZPZ-HNNXBMFYSA-N 2 2 333.436 1.618 20 0 EDADLP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889990 453059294 /nfs/dbraw/zinc/05/92/94/453059294.db2.gz KVYONLISSLQYGG-MOPGFXCFSA-N 2 2 343.471 1.319 20 0 EDADLP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889990 453059301 /nfs/dbraw/zinc/05/93/01/453059301.db2.gz KVYONLISSLQYGG-MOPGFXCFSA-N 2 2 343.471 1.319 20 0 EDADLP O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889990 453059309 /nfs/dbraw/zinc/05/93/09/453059309.db2.gz KVYONLISSLQYGG-MOPGFXCFSA-N 2 2 343.471 1.319 20 0 EDADLP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889990 453059317 /nfs/dbraw/zinc/05/93/17/453059317.db2.gz KVYONLISSLQYGG-MOPGFXCFSA-N 2 2 343.471 1.319 20 0 EDADLP CC1(C)C[NH+](CC(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000654970893 453088848 /nfs/dbraw/zinc/08/88/48/453088848.db2.gz ZIAPTCBGKQIOCI-UHFFFAOYSA-N 2 2 331.460 1.924 20 0 EDADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000646089780 453098015 /nfs/dbraw/zinc/09/80/15/453098015.db2.gz HSGFDAHKPZQTKO-MRXNPFEDSA-N 2 2 341.402 1.535 20 0 EDADLP CCn1nnc(C)c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000648485354 453107731 /nfs/dbraw/zinc/10/77/31/453107731.db2.gz VUXYBELMSLXIOD-HNNXBMFYSA-N 2 2 329.452 1.754 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000666761443 453126156 /nfs/dbraw/zinc/12/61/56/453126156.db2.gz WDIYHHVIZSHOKS-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000664478063 453129254 /nfs/dbraw/zinc/12/92/54/453129254.db2.gz HNWPSYJVNVCBQD-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000664478063 453129261 /nfs/dbraw/zinc/12/92/61/453129261.db2.gz HNWPSYJVNVCBQD-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H](COCC1CC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000650994862 453169999 /nfs/dbraw/zinc/16/99/99/453169999.db2.gz UJTQHQSNDSBHBH-CQSZACIVSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000660281584 453170581 /nfs/dbraw/zinc/17/05/81/453170581.db2.gz GTKRMSWAWRHRAT-CQSZACIVSA-N 2 2 327.432 1.998 20 0 EDADLP C[C@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000660281584 453170588 /nfs/dbraw/zinc/17/05/88/453170588.db2.gz GTKRMSWAWRHRAT-CQSZACIVSA-N 2 2 327.432 1.998 20 0 EDADLP C[C@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000660281584 453170595 /nfs/dbraw/zinc/17/05/95/453170595.db2.gz GTKRMSWAWRHRAT-CQSZACIVSA-N 2 2 327.432 1.998 20 0 EDADLP C[C@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000660281584 453170605 /nfs/dbraw/zinc/17/06/05/453170605.db2.gz GTKRMSWAWRHRAT-CQSZACIVSA-N 2 2 327.432 1.998 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000655066301 453186574 /nfs/dbraw/zinc/18/65/74/453186574.db2.gz DUQHGOJVXYWGOM-MAUKXSAKSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000655066301 453186578 /nfs/dbraw/zinc/18/65/78/453186578.db2.gz DUQHGOJVXYWGOM-MAUKXSAKSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000655066301 453186581 /nfs/dbraw/zinc/18/65/81/453186581.db2.gz DUQHGOJVXYWGOM-MAUKXSAKSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000655066301 453186583 /nfs/dbraw/zinc/18/65/83/453186583.db2.gz DUQHGOJVXYWGOM-MAUKXSAKSA-N 2 2 326.444 1.974 20 0 EDADLP COC1CC[NH+](CCNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000646180885 453192641 /nfs/dbraw/zinc/19/26/41/453192641.db2.gz ITPJMQCSQSQVKX-HNNXBMFYSA-N 2 2 327.375 1.192 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000660306893 453200421 /nfs/dbraw/zinc/20/04/21/453200421.db2.gz VMUSYGHOHUCRLM-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000660306893 453200426 /nfs/dbraw/zinc/20/04/26/453200426.db2.gz VMUSYGHOHUCRLM-INIZCTEOSA-N 2 2 347.463 1.202 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)CC2 ZINC000651029348 453203951 /nfs/dbraw/zinc/20/39/51/453203951.db2.gz NBTKKJNLIVQXGJ-NVXWUHKLSA-N 2 2 334.464 1.227 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)CC2 ZINC000651029348 453203954 /nfs/dbraw/zinc/20/39/54/453203954.db2.gz NBTKKJNLIVQXGJ-NVXWUHKLSA-N 2 2 334.464 1.227 20 0 EDADLP CCc1cnccc1[C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664581307 453216427 /nfs/dbraw/zinc/21/64/27/453216427.db2.gz HEJNILBUUITPJT-HNNXBMFYSA-N 2 2 335.496 1.888 20 0 EDADLP CCc1cnccc1[C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664581307 453216436 /nfs/dbraw/zinc/21/64/36/453216436.db2.gz HEJNILBUUITPJT-HNNXBMFYSA-N 2 2 335.496 1.888 20 0 EDADLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(OC[C@@H]2CCCO2)c1 ZINC000653076475 453254055 /nfs/dbraw/zinc/25/40/55/453254055.db2.gz XLHUVDYUCDKYOC-GJZGRUSLSA-N 2 2 335.448 1.770 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCc2ncncc2C1 ZINC000648782603 453265871 /nfs/dbraw/zinc/26/58/71/453265871.db2.gz SCBHVHJLDZOERS-OAHLLOKOSA-N 2 2 345.491 1.066 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCc2ncncc2C1 ZINC000648782603 453265877 /nfs/dbraw/zinc/26/58/77/453265877.db2.gz SCBHVHJLDZOERS-OAHLLOKOSA-N 2 2 345.491 1.066 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000653088183 453270738 /nfs/dbraw/zinc/27/07/38/453270738.db2.gz UGEBSSIJVUUZHA-UONOGXRCSA-N 2 2 339.411 1.601 20 0 EDADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653093199 453276336 /nfs/dbraw/zinc/27/63/36/453276336.db2.gz ZBDSYAXQCAXPDO-DFBGVHRSSA-N 2 2 327.856 1.811 20 0 EDADLP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c2ccccc2)CC1 ZINC000653112228 453297623 /nfs/dbraw/zinc/29/76/23/453297623.db2.gz RQOBQIQFYZCSFY-OALUTQOASA-N 3 2 346.519 1.855 20 0 EDADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000653111130 453297934 /nfs/dbraw/zinc/29/79/34/453297934.db2.gz FMHRSEHFJYLELV-QZTJIDSGSA-N 3 2 332.492 1.388 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000653113764 453301031 /nfs/dbraw/zinc/30/10/31/453301031.db2.gz NIPCHVGJGUJHDS-CJNGLKHVSA-N 2 2 338.883 1.562 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116979 453305101 /nfs/dbraw/zinc/30/51/01/453305101.db2.gz ZQCSRXIMVHSACQ-RYUDHWBXSA-N 2 2 330.354 1.934 20 0 EDADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653122825 453315724 /nfs/dbraw/zinc/31/57/24/453315724.db2.gz FLODUXUIECZXOW-RTBURBONSA-N 3 2 346.519 1.636 20 0 EDADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653122825 453315729 /nfs/dbraw/zinc/31/57/29/453315729.db2.gz FLODUXUIECZXOW-RTBURBONSA-N 3 2 346.519 1.636 20 0 EDADLP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653123136 453316064 /nfs/dbraw/zinc/31/60/64/453316064.db2.gz OXCHTBUWYCDTQV-MAUKXSAKSA-N 3 2 348.491 1.625 20 0 EDADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653123136 453316074 /nfs/dbraw/zinc/31/60/74/453316074.db2.gz OXCHTBUWYCDTQV-MAUKXSAKSA-N 3 2 348.491 1.625 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)CC1 ZINC000653125033 453319463 /nfs/dbraw/zinc/31/94/63/453319463.db2.gz QUNQGZBVEWBIBX-SFHVURJKSA-N 3 2 347.507 1.042 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660452790 453321996 /nfs/dbraw/zinc/32/19/96/453321996.db2.gz CWLCRFKFHLQVNR-YQQAZPJKSA-N 2 2 344.459 1.660 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1)n1cc[nH+]c1 ZINC000653135084 453327124 /nfs/dbraw/zinc/32/71/24/453327124.db2.gz SIEKASXKTALQIC-NSHDSACASA-N 2 2 325.376 1.717 20 0 EDADLP CN(C(=O)NCC1CC(F)(F)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644371162 453365336 /nfs/dbraw/zinc/36/53/36/453365336.db2.gz HPFQRQYJUDIHIL-OAHLLOKOSA-N 2 2 344.450 1.842 20 0 EDADLP CN(C(=O)NCC1CC(F)(F)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644371162 453365344 /nfs/dbraw/zinc/36/53/44/453365344.db2.gz HPFQRQYJUDIHIL-OAHLLOKOSA-N 2 2 344.450 1.842 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2OCC[NH+](C)[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000648898351 453377058 /nfs/dbraw/zinc/37/70/58/453377058.db2.gz BNWKOGJQLSKGTC-YSHGAJCASA-N 2 2 345.487 1.857 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2OCC[NH+](C)[C@H]2c2ccccc2)CC[N@H+]1C ZINC000648898351 453377064 /nfs/dbraw/zinc/37/70/64/453377064.db2.gz BNWKOGJQLSKGTC-YSHGAJCASA-N 2 2 345.487 1.857 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)CC[NH+]1C ZINC000648898351 453377067 /nfs/dbraw/zinc/37/70/67/453377067.db2.gz BNWKOGJQLSKGTC-YSHGAJCASA-N 2 2 345.487 1.857 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)CC[NH+]1C ZINC000648898351 453377073 /nfs/dbraw/zinc/37/70/73/453377073.db2.gz BNWKOGJQLSKGTC-YSHGAJCASA-N 2 2 345.487 1.857 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656702027 453377987 /nfs/dbraw/zinc/37/79/87/453377987.db2.gz ITGJUJZUOKVQEL-SJORKVTESA-N 2 2 349.475 1.847 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656702027 453377996 /nfs/dbraw/zinc/37/79/96/453377996.db2.gz ITGJUJZUOKVQEL-SJORKVTESA-N 2 2 349.475 1.847 20 0 EDADLP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662665739 453379545 /nfs/dbraw/zinc/37/95/45/453379545.db2.gz NXRMQIMCLJSWAY-OAHLLOKOSA-N 2 2 348.447 1.078 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662674066 453390803 /nfs/dbraw/zinc/39/08/03/453390803.db2.gz YCCBEVWVHANMAW-OAHLLOKOSA-N 2 2 327.375 1.145 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934517 453412558 /nfs/dbraw/zinc/41/25/58/453412558.db2.gz SIZWHDMWVHSJDE-DOTOQJQBSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934517 453412564 /nfs/dbraw/zinc/41/25/64/453412564.db2.gz SIZWHDMWVHSJDE-DOTOQJQBSA-N 2 2 346.475 1.476 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662715777 453439060 /nfs/dbraw/zinc/43/90/60/453439060.db2.gz VNZDXGFIQTXOJD-CQSZACIVSA-N 2 2 327.375 1.192 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662715777 453439067 /nfs/dbraw/zinc/43/90/67/453439067.db2.gz VNZDXGFIQTXOJD-CQSZACIVSA-N 2 2 327.375 1.192 20 0 EDADLP C[C@H](C(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662719520 453443834 /nfs/dbraw/zinc/44/38/34/453443834.db2.gz DXRBYKPVAFECRW-TZGCNFNXSA-N 2 2 346.450 1.204 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)CC1 ZINC000664873120 453457653 /nfs/dbraw/zinc/45/76/53/453457653.db2.gz SZSACBWCNOACHB-HNNXBMFYSA-N 2 2 347.507 1.357 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)CC1 ZINC000664873120 453457664 /nfs/dbraw/zinc/45/76/64/453457664.db2.gz SZSACBWCNOACHB-HNNXBMFYSA-N 2 2 347.507 1.357 20 0 EDADLP C[C@@H](NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000667253936 453514874 /nfs/dbraw/zinc/51/48/74/453514874.db2.gz MGXFWXSYYIGXKN-CABCVRRESA-N 2 2 335.452 1.377 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]([NH3+])c3ccc(F)cc3F)CC2)cc[nH+]1 ZINC000662794930 453528516 /nfs/dbraw/zinc/52/85/16/453528516.db2.gz RNACVBLIVFMFPK-MRXNPFEDSA-N 2 2 347.369 1.412 20 0 EDADLP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000655443062 453530619 /nfs/dbraw/zinc/53/06/19/453530619.db2.gz MNMNAYNPSBWCJM-QUCCMNQESA-N 2 2 343.471 1.599 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@]3(C)CC3(F)F)C2)CC1 ZINC000660712040 453540708 /nfs/dbraw/zinc/54/07/08/453540708.db2.gz IBQXRZAVZWYTJO-WFASDCNBSA-N 2 2 330.423 1.499 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@]3(C)CC3(F)F)C2)CC1 ZINC000660712040 453540713 /nfs/dbraw/zinc/54/07/13/453540713.db2.gz IBQXRZAVZWYTJO-WFASDCNBSA-N 2 2 330.423 1.499 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2[nH+]ccn21 ZINC000665048056 453553272 /nfs/dbraw/zinc/55/32/72/453553272.db2.gz RATKAYQQMLBSKY-BZUAXINKSA-N 2 2 347.463 1.785 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000662940598 453616074 /nfs/dbraw/zinc/61/60/74/453616074.db2.gz MXOGRJJLOGJBRI-RTBURBONSA-N 2 2 344.503 1.309 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000662940598 453616081 /nfs/dbraw/zinc/61/60/81/453616081.db2.gz MXOGRJJLOGJBRI-RTBURBONSA-N 2 2 344.503 1.309 20 0 EDADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291147 453638197 /nfs/dbraw/zinc/63/81/97/453638197.db2.gz VLEJNDCCRLHVSH-CJNGLKHVSA-N 3 2 333.480 1.774 20 0 EDADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(-c2ccccc2)nn1C ZINC000665294749 453640775 /nfs/dbraw/zinc/64/07/75/453640775.db2.gz VRXFXWWAQDSHMS-LBPRGKRZSA-N 2 2 338.415 1.892 20 0 EDADLP CC(C)c1cccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000657091610 453675021 /nfs/dbraw/zinc/67/50/21/453675021.db2.gz NCPRFYIDOTVSBO-UHFFFAOYSA-N 2 2 341.521 1.972 20 0 EDADLP CC(C)c1cccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657091610 453675027 /nfs/dbraw/zinc/67/50/27/453675027.db2.gz NCPRFYIDOTVSBO-UHFFFAOYSA-N 2 2 341.521 1.972 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NCc3nnn(C(C)(C)C)n3)CC2)CC1 ZINC000657337905 453768637 /nfs/dbraw/zinc/76/86/37/453768637.db2.gz LMVJSPLJAIJKQI-UHFFFAOYSA-N 2 2 335.500 1.076 20 0 EDADLP c1nn2c(c1C[NH2+]CCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000657339402 453769224 /nfs/dbraw/zinc/76/92/24/453769224.db2.gz DLRQTETUYWWPDP-UHFFFAOYSA-N 3 2 340.475 1.526 20 0 EDADLP CC1CC[NH+](CCNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663388377 453786712 /nfs/dbraw/zinc/78/67/12/453786712.db2.gz DGBWCGAGZVXSRA-UHFFFAOYSA-N 2 2 333.480 1.972 20 0 EDADLP CC(C)C[NH+]1CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000665688894 453789343 /nfs/dbraw/zinc/78/93/43/453789343.db2.gz XUQCWAXBAFGSEA-CVEARBPZSA-N 2 2 333.480 1.462 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661351645 453797962 /nfs/dbraw/zinc/79/79/62/453797962.db2.gz OLZFBHXNQFHGLD-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661351645 453797964 /nfs/dbraw/zinc/79/79/64/453797964.db2.gz OLZFBHXNQFHGLD-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676195615 486687265 /nfs/dbraw/zinc/68/72/65/486687265.db2.gz MVBGVJCAPXLWOK-HZPDHXFCSA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676195615 486687269 /nfs/dbraw/zinc/68/72/69/486687269.db2.gz MVBGVJCAPXLWOK-HZPDHXFCSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676195615 486687271 /nfs/dbraw/zinc/68/72/71/486687271.db2.gz MVBGVJCAPXLWOK-HZPDHXFCSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676195615 486687274 /nfs/dbraw/zinc/68/72/74/486687274.db2.gz MVBGVJCAPXLWOK-HZPDHXFCSA-N 2 2 334.464 1.890 20 0 EDADLP CN(C(=O)C(C)(C)c1cnn(C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680196834 486718584 /nfs/dbraw/zinc/71/85/84/486718584.db2.gz PQFYXCZCXBUFRK-KRWDZBQOSA-N 2 2 347.507 1.325 20 0 EDADLP CN(C(=O)C(C)(C)c1cnn(C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680196834 486718587 /nfs/dbraw/zinc/71/85/87/486718587.db2.gz PQFYXCZCXBUFRK-KRWDZBQOSA-N 2 2 347.507 1.325 20 0 EDADLP CN(C)c1cc[nH+]c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000680258319 486732152 /nfs/dbraw/zinc/73/21/52/486732152.db2.gz NCNXLNKUTKJLCP-QGZVFWFLSA-N 2 2 340.427 1.987 20 0 EDADLP CN(C)c1cc[nH+]c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000680258319 486732155 /nfs/dbraw/zinc/73/21/55/486732155.db2.gz NCNXLNKUTKJLCP-QGZVFWFLSA-N 2 2 340.427 1.987 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000672695620 486766466 /nfs/dbraw/zinc/76/64/66/486766466.db2.gz NHHOIQJHVLZXDC-LSDHHAIUSA-N 2 2 347.463 1.454 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000672889310 486832315 /nfs/dbraw/zinc/83/23/15/486832315.db2.gz VJPLZOKRDGGLMW-HNNXBMFYSA-N 2 2 345.491 1.672 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000672889310 486832319 /nfs/dbraw/zinc/83/23/19/486832319.db2.gz VJPLZOKRDGGLMW-HNNXBMFYSA-N 2 2 345.491 1.672 20 0 EDADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000680814720 486858775 /nfs/dbraw/zinc/85/87/75/486858775.db2.gz BQMBEEPZJSKGQI-IBGZPJMESA-N 2 2 340.427 1.990 20 0 EDADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(-c2cc3ccccc3o2)n1 ZINC000680814720 486858779 /nfs/dbraw/zinc/85/87/79/486858779.db2.gz BQMBEEPZJSKGQI-IBGZPJMESA-N 2 2 340.427 1.990 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccnn1-c1cc[nH+]cc1 ZINC000667706810 486927425 /nfs/dbraw/zinc/92/74/25/486927425.db2.gz IXDVQHMLANDQGM-BHIYHBOVSA-N 3 2 341.459 1.951 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccnn1-c1cc[nH+]cc1 ZINC000667706810 486927427 /nfs/dbraw/zinc/92/74/27/486927427.db2.gz IXDVQHMLANDQGM-BHIYHBOVSA-N 3 2 341.459 1.951 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)nc1 ZINC000667778186 486961212 /nfs/dbraw/zinc/96/12/12/486961212.db2.gz VNBHQONXXLKDBJ-SJORKVTESA-N 2 2 331.464 1.146 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(=O)[nH]c(C4CC4)c3)C2)CC1 ZINC000681178721 486961648 /nfs/dbraw/zinc/96/16/48/486961648.db2.gz NAGYYMHROUJZGJ-HNNXBMFYSA-N 2 2 344.459 1.563 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(=O)[nH]c(C4CC4)c3)C2)CC1 ZINC000681178721 486961651 /nfs/dbraw/zinc/96/16/51/486961651.db2.gz NAGYYMHROUJZGJ-HNNXBMFYSA-N 2 2 344.459 1.563 20 0 EDADLP CN(C(=O)NCc1ccc(O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681213218 486975331 /nfs/dbraw/zinc/97/53/31/486975331.db2.gz OYNLHACCTWWHNV-QGZVFWFLSA-N 2 2 346.475 1.702 20 0 EDADLP CN(C(=O)NCc1ccc(O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681213218 486975337 /nfs/dbraw/zinc/97/53/37/486975337.db2.gz OYNLHACCTWWHNV-QGZVFWFLSA-N 2 2 346.475 1.702 20 0 EDADLP [NH3+][C@H]1CCc2ncc(NC(=O)NCCCCn3cc[nH+]c3)cc2C1 ZINC000667806992 486974347 /nfs/dbraw/zinc/97/43/47/486974347.db2.gz FUCVKIVGKULHKM-AWEZNQCLSA-N 2 2 328.420 1.696 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214328 486975190 /nfs/dbraw/zinc/97/51/90/486975190.db2.gz GZOUZDDFYAULTM-KRWDZBQOSA-N 3 2 348.495 1.001 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214328 486975195 /nfs/dbraw/zinc/97/51/95/486975195.db2.gz GZOUZDDFYAULTM-KRWDZBQOSA-N 3 2 348.495 1.001 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673513632 487032641 /nfs/dbraw/zinc/03/26/41/487032641.db2.gz MWBWQSVVEJHIHO-LSDHHAIUSA-N 2 2 342.443 1.266 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673513632 487032647 /nfs/dbraw/zinc/03/26/47/487032647.db2.gz MWBWQSVVEJHIHO-LSDHHAIUSA-N 2 2 342.443 1.266 20 0 EDADLP CO[C@@H]1CCC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000684374667 487042085 /nfs/dbraw/zinc/04/20/85/487042085.db2.gz SUMPAIXYIYTCAW-IAGOWNOFSA-N 2 2 346.475 1.668 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2c2cc(-n3cc[nH+]c3)ncn2)C[C@@H](C)O1 ZINC000681669979 487126950 /nfs/dbraw/zinc/12/69/50/487126950.db2.gz BFDSLRSWAKOPBF-OAGGEKHMSA-N 2 2 342.447 1.740 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000677583477 487125954 /nfs/dbraw/zinc/12/59/54/487125954.db2.gz YNBNKHVVJWZIHU-HNNXBMFYSA-N 2 2 337.464 1.650 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)[NH+]1CCOCC1 ZINC000681788126 487167655 /nfs/dbraw/zinc/16/76/55/487167655.db2.gz CEONKTMLQBEGCX-BRWVUGGUSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@@H]1CC[N@H+](CCn2nc3ccccn3c2=O)C[C@H]1n1cc[nH+]c1 ZINC000678077997 487243181 /nfs/dbraw/zinc/24/31/81/487243181.db2.gz DSWHZLLHQHALSC-HUUCEWRRSA-N 2 2 326.404 1.276 20 0 EDADLP C[C@@H]1CC[N@@H+](CCn2nc3ccccn3c2=O)C[C@H]1n1cc[nH+]c1 ZINC000678077997 487243184 /nfs/dbraw/zinc/24/31/84/487243184.db2.gz DSWHZLLHQHALSC-HUUCEWRRSA-N 2 2 326.404 1.276 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081018 487244181 /nfs/dbraw/zinc/24/41/81/487244181.db2.gz KSYZOPRRFGJIRU-QGZVFWFLSA-N 2 2 331.460 1.918 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678081018 487244183 /nfs/dbraw/zinc/24/41/83/487244183.db2.gz KSYZOPRRFGJIRU-QGZVFWFLSA-N 2 2 331.460 1.918 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000681929850 487255264 /nfs/dbraw/zinc/25/52/64/487255264.db2.gz ZZJLLEHNCNJLQI-WMZOPIPTSA-N 2 2 343.475 1.384 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000681929850 487255268 /nfs/dbraw/zinc/25/52/68/487255268.db2.gz ZZJLLEHNCNJLQI-WMZOPIPTSA-N 2 2 343.475 1.384 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678267277 487278721 /nfs/dbraw/zinc/27/87/21/487278721.db2.gz ICBWCXLNZKGDJG-UHFFFAOYSA-N 2 2 329.448 1.672 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1CCO ZINC000682008827 487279635 /nfs/dbraw/zinc/27/96/35/487279635.db2.gz JSHRTUFGGGIUMH-GOSISDBHSA-N 2 2 345.487 1.566 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1CCO ZINC000682008827 487279636 /nfs/dbraw/zinc/27/96/36/487279636.db2.gz JSHRTUFGGGIUMH-GOSISDBHSA-N 2 2 345.487 1.566 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000682008827 487279638 /nfs/dbraw/zinc/27/96/38/487279638.db2.gz JSHRTUFGGGIUMH-GOSISDBHSA-N 2 2 345.487 1.566 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000682008827 487279640 /nfs/dbraw/zinc/27/96/40/487279640.db2.gz JSHRTUFGGGIUMH-GOSISDBHSA-N 2 2 345.487 1.566 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000682072407 487298397 /nfs/dbraw/zinc/29/83/97/487298397.db2.gz JTLTVSFNWJESTQ-HNNXBMFYSA-N 2 2 333.480 1.640 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000674695405 487300734 /nfs/dbraw/zinc/30/07/34/487300734.db2.gz KNGBMUMJNBIPJS-YOEHRIQHSA-N 2 2 328.460 1.927 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C[N@H+]1C1CC1 ZINC000674695405 487300738 /nfs/dbraw/zinc/30/07/38/487300738.db2.gz KNGBMUMJNBIPJS-YOEHRIQHSA-N 2 2 328.460 1.927 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000675198164 487389048 /nfs/dbraw/zinc/38/90/48/487389048.db2.gz SGZIPVZFYFLKQU-GOSISDBHSA-N 2 2 345.491 1.783 20 0 EDADLP C[C@H](C[C@H]1CCOC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675311645 487397734 /nfs/dbraw/zinc/39/77/34/487397734.db2.gz IFGFAPSQDDZHLG-BZUAXINKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[C@H]1CCOC1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675311645 487397736 /nfs/dbraw/zinc/39/77/36/487397736.db2.gz IFGFAPSQDDZHLG-BZUAXINKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[C@H]1CCOC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000675427209 487406601 /nfs/dbraw/zinc/40/66/01/487406601.db2.gz FMHKOTCJHNBGTH-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1F ZINC000679294688 487410104 /nfs/dbraw/zinc/41/01/04/487410104.db2.gz HPHQKBQIKKOBBX-IIAWOOMASA-N 2 2 326.460 1.544 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1F ZINC000679294688 487410107 /nfs/dbraw/zinc/41/01/07/487410107.db2.gz HPHQKBQIKKOBBX-IIAWOOMASA-N 2 2 326.460 1.544 20 0 EDADLP c1cc(N2CCOCC2)nc(NCc2ccc(N3CCCC3)[nH+]c2)[nH+]1 ZINC000675719806 487438021 /nfs/dbraw/zinc/43/80/21/487438021.db2.gz GRSPBYXTEKJDHK-UHFFFAOYSA-N 2 2 340.431 1.921 20 0 EDADLP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000669521446 485488876 /nfs/dbraw/zinc/48/88/76/485488876.db2.gz NVHFSPBNBJURQD-RHSMWYFYSA-N 2 2 325.416 1.273 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000324108533 485496979 /nfs/dbraw/zinc/49/69/79/485496979.db2.gz DOGSTVRGMIVYQN-RDJZCZTQSA-N 2 2 337.489 1.498 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000324108533 485496990 /nfs/dbraw/zinc/49/69/90/485496990.db2.gz DOGSTVRGMIVYQN-RDJZCZTQSA-N 2 2 337.489 1.498 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986550 485611182 /nfs/dbraw/zinc/61/11/82/485611182.db2.gz FSPHYDSOCZOFPJ-IEBWSBKVSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986550 485611186 /nfs/dbraw/zinc/61/11/86/485611186.db2.gz FSPHYDSOCZOFPJ-IEBWSBKVSA-N 2 2 345.487 1.878 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000669145911 485737273 /nfs/dbraw/zinc/73/72/73/485737273.db2.gz MHCOCLRYDOYWSC-IAGOWNOFSA-N 2 2 338.455 1.739 20 0 EDADLP O=C(NC[C@H]1CCCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000668610724 485944877 /nfs/dbraw/zinc/94/48/77/485944877.db2.gz BBXBXZABHHZRQR-MSOLQXFVSA-N 2 2 346.475 1.329 20 0 EDADLP O=C(NC[C@H]1CCCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000668610724 485944880 /nfs/dbraw/zinc/94/48/80/485944880.db2.gz BBXBXZABHHZRQR-MSOLQXFVSA-N 2 2 346.475 1.329 20 0 EDADLP CN(C(=O)C(C)(C)n1cccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618940 485960746 /nfs/dbraw/zinc/96/07/46/485960746.db2.gz WBJVERGKCXOIEF-INIZCTEOSA-N 2 2 333.480 1.245 20 0 EDADLP CN(C(=O)C(C)(C)n1cccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618940 485960749 /nfs/dbraw/zinc/96/07/49/485960749.db2.gz WBJVERGKCXOIEF-INIZCTEOSA-N 2 2 333.480 1.245 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669413070 486116972 /nfs/dbraw/zinc/11/69/72/486116972.db2.gz GCZDGFVYUDWIRF-GDBMZVCRSA-N 2 2 343.406 1.905 20 0 EDADLP C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669424613 486145438 /nfs/dbraw/zinc/14/54/38/486145438.db2.gz JOPVVBWZTMCPAC-HIFRSBDPSA-N 2 2 348.447 1.021 20 0 EDADLP C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669424613 486145448 /nfs/dbraw/zinc/14/54/48/486145448.db2.gz JOPVVBWZTMCPAC-HIFRSBDPSA-N 2 2 348.447 1.021 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000669486566 486252927 /nfs/dbraw/zinc/25/29/27/486252927.db2.gz BFIWZOJERYEXPR-SFHVURJKSA-N 2 2 325.416 1.767 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)c2ccncc2)CC1 ZINC000092318477 491203397 /nfs/dbraw/zinc/20/33/97/491203397.db2.gz UGIJJAJMMIWHCZ-UHFFFAOYSA-N 2 2 347.507 1.684 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C[N@@H+]1C1CC1 ZINC000123127018 491001875 /nfs/dbraw/zinc/00/18/75/491001875.db2.gz PVGUZNKYUPYPCC-NFAWXSAZSA-N 2 2 334.416 1.370 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C[N@H+]1C1CC1 ZINC000123127018 491001876 /nfs/dbraw/zinc/00/18/76/491001876.db2.gz PVGUZNKYUPYPCC-NFAWXSAZSA-N 2 2 334.416 1.370 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](O)C1CC1 ZINC000079791201 491168447 /nfs/dbraw/zinc/16/84/47/491168447.db2.gz VYHNBIJRFYWWGF-GOSISDBHSA-N 2 2 347.459 1.160 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](O)C1CC1 ZINC000079791201 491168451 /nfs/dbraw/zinc/16/84/51/491168451.db2.gz VYHNBIJRFYWWGF-GOSISDBHSA-N 2 2 347.459 1.160 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000129919351 533895015 /nfs/dbraw/zinc/89/50/15/533895015.db2.gz NMIRKONZGUGATM-ZFWWWQNUSA-N 2 2 325.478 1.367 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1S(=O)(=O)N(C)C ZINC000129919351 533895027 /nfs/dbraw/zinc/89/50/27/533895027.db2.gz NMIRKONZGUGATM-ZFWWWQNUSA-N 2 2 325.478 1.367 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000163909822 533899039 /nfs/dbraw/zinc/89/90/39/533899039.db2.gz XOAQDIJKHVGSJH-GOSISDBHSA-N 2 2 331.464 1.557 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000304247109 517527334 /nfs/dbraw/zinc/52/73/34/517527334.db2.gz VZMVEQGYBSBUGA-SFHVURJKSA-N 2 2 342.443 1.695 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000174243152 528884209 /nfs/dbraw/zinc/88/42/09/528884209.db2.gz XRDZEABPPNDBCI-IAGOWNOFSA-N 2 2 342.528 1.904 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSC(C)(C)C2)C1 ZINC000083415862 535109844 /nfs/dbraw/zinc/10/98/44/535109844.db2.gz HWEHHCPBOBCPNX-HNNXBMFYSA-N 2 2 343.537 1.287 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSC(C)(C)C2)C1 ZINC000083415862 535109845 /nfs/dbraw/zinc/10/98/45/535109845.db2.gz HWEHHCPBOBCPNX-HNNXBMFYSA-N 2 2 343.537 1.287 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000347082508 535171473 /nfs/dbraw/zinc/17/14/73/535171473.db2.gz CJXSNFQRNUAHOO-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000347082508 535171476 /nfs/dbraw/zinc/17/14/76/535171476.db2.gz CJXSNFQRNUAHOO-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000347082508 535171479 /nfs/dbraw/zinc/17/14/79/535171479.db2.gz CJXSNFQRNUAHOO-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000347082508 535171482 /nfs/dbraw/zinc/17/14/82/535171482.db2.gz CJXSNFQRNUAHOO-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)([NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000236779419 535193790 /nfs/dbraw/zinc/19/37/90/535193790.db2.gz MEPLOSYSDDAVKL-UHFFFAOYSA-N 2 2 325.840 1.600 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261774274 535236868 /nfs/dbraw/zinc/23/68/68/535236868.db2.gz MMRQXWHYWJGFTP-IBGZPJMESA-N 2 2 333.476 1.900 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261774274 535236872 /nfs/dbraw/zinc/23/68/72/535236872.db2.gz MMRQXWHYWJGFTP-IBGZPJMESA-N 2 2 333.476 1.900 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000236794424 535348779 /nfs/dbraw/zinc/34/87/79/535348779.db2.gz ZWGLFERAISEAHE-CQSZACIVSA-N 2 2 348.447 1.149 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000063700267 535490696 /nfs/dbraw/zinc/49/06/96/535490696.db2.gz LMOICYSCKHICQW-UHFFFAOYSA-N 2 2 333.476 1.724 20 0 EDADLP CC[C@@H](C)[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000347475128 535555889 /nfs/dbraw/zinc/55/58/89/535555889.db2.gz MTBIJFSMZKIPJT-GOSISDBHSA-N 2 2 347.503 1.732 20 0 EDADLP CC[C@@H](C)[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000347475128 535555890 /nfs/dbraw/zinc/55/58/90/535555890.db2.gz MTBIJFSMZKIPJT-GOSISDBHSA-N 2 2 347.503 1.732 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCOc2ccccc2)CC1 ZINC000075698321 535636421 /nfs/dbraw/zinc/63/64/21/535636421.db2.gz OREIUUMLPIPYSV-KRWDZBQOSA-N 2 2 333.476 1.940 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCOc2ccccc2)CC1 ZINC000075698321 535636424 /nfs/dbraw/zinc/63/64/24/535636424.db2.gz OREIUUMLPIPYSV-KRWDZBQOSA-N 2 2 333.476 1.940 20 0 EDADLP CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000352843783 535665248 /nfs/dbraw/zinc/66/52/48/535665248.db2.gz QTDKHNFJKVKSAU-RHSMWYFYSA-N 2 2 340.512 1.022 20 0 EDADLP CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000352843783 535665254 /nfs/dbraw/zinc/66/52/54/535665254.db2.gz QTDKHNFJKVKSAU-RHSMWYFYSA-N 2 2 340.512 1.022 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000333866450 535731719 /nfs/dbraw/zinc/73/17/19/535731719.db2.gz TVAZRAWBJGVQFE-MRXNPFEDSA-N 2 2 337.512 1.069 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@@H]1C ZINC000332354621 535774093 /nfs/dbraw/zinc/77/40/93/535774093.db2.gz ZGMPLWVTEDHMCN-UONOGXRCSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@@H]1C ZINC000332354621 535774098 /nfs/dbraw/zinc/77/40/98/535774098.db2.gz ZGMPLWVTEDHMCN-UONOGXRCSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@@H]1C ZINC000332354621 535774101 /nfs/dbraw/zinc/77/41/01/535774101.db2.gz ZGMPLWVTEDHMCN-UONOGXRCSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@@H]1C ZINC000332354621 535774104 /nfs/dbraw/zinc/77/41/04/535774104.db2.gz ZGMPLWVTEDHMCN-UONOGXRCSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@H]1C ZINC000332335479 535774239 /nfs/dbraw/zinc/77/42/39/535774239.db2.gz UHSPPNFEEPRUQL-ZIAGYGMSSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@H]1C ZINC000332335479 535774244 /nfs/dbraw/zinc/77/42/44/535774244.db2.gz UHSPPNFEEPRUQL-ZIAGYGMSSA-N 2 2 347.463 1.057 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245461914 535792192 /nfs/dbraw/zinc/79/21/92/535792192.db2.gz WPFQOQWVIDNRPK-DOTOQJQBSA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245461914 535792193 /nfs/dbraw/zinc/79/21/93/535792193.db2.gz WPFQOQWVIDNRPK-DOTOQJQBSA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245461914 535792194 /nfs/dbraw/zinc/79/21/94/535792194.db2.gz WPFQOQWVIDNRPK-DOTOQJQBSA-N 2 2 346.475 1.675 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245461914 535792195 /nfs/dbraw/zinc/79/21/95/535792195.db2.gz WPFQOQWVIDNRPK-DOTOQJQBSA-N 2 2 346.475 1.675 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000270922631 535845552 /nfs/dbraw/zinc/84/55/52/535845552.db2.gz PDUCNEGRRRAPEF-QZTJIDSGSA-N 2 2 331.460 1.034 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000270922631 535845555 /nfs/dbraw/zinc/84/55/55/535845555.db2.gz PDUCNEGRRRAPEF-QZTJIDSGSA-N 2 2 331.460 1.034 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000269829537 535973851 /nfs/dbraw/zinc/97/38/51/535973851.db2.gz RPJCJAXPXZVRTQ-OAHLLOKOSA-N 2 2 332.347 1.419 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CCOCC1 ZINC000347342014 535985130 /nfs/dbraw/zinc/98/51/30/535985130.db2.gz GBZKHLNKZOWLNW-HNNXBMFYSA-N 2 2 347.419 1.367 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCN2CCC([NH+](C)C)CC2)s1 ZINC000352785467 536057978 /nfs/dbraw/zinc/05/79/78/536057978.db2.gz GPCIWVACNUKPTL-UHFFFAOYSA-N 3 2 325.526 1.320 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000346100292 536088648 /nfs/dbraw/zinc/08/86/48/536088648.db2.gz HOSJPQPENYDAJF-MLHJIOFPSA-N 2 2 337.508 1.961 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000346100292 536088654 /nfs/dbraw/zinc/08/86/54/536088654.db2.gz HOSJPQPENYDAJF-MLHJIOFPSA-N 2 2 337.508 1.961 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000237069925 536340351 /nfs/dbraw/zinc/34/03/51/536340351.db2.gz DXFMTNPBGSRDIC-SNRMKQJTSA-N 3 2 348.535 1.582 20 0 EDADLP C[NH2+][C@@H](C)Cc1noc(C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000261768821 536349420 /nfs/dbraw/zinc/34/94/20/536349420.db2.gz MZTZVIACCHJJSX-HOCLYGCPSA-N 2 2 330.432 1.664 20 0 EDADLP C[NH2+][C@@H](C)Cc1noc(C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000261768821 536349422 /nfs/dbraw/zinc/34/94/22/536349422.db2.gz MZTZVIACCHJJSX-HOCLYGCPSA-N 2 2 330.432 1.664 20 0 EDADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261665756 536361723 /nfs/dbraw/zinc/36/17/23/536361723.db2.gz BLMRRRIUUPBCIF-QGZVFWFLSA-N 2 2 348.466 1.548 20 0 EDADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261665756 536361728 /nfs/dbraw/zinc/36/17/28/536361728.db2.gz BLMRRRIUUPBCIF-QGZVFWFLSA-N 2 2 348.466 1.548 20 0 EDADLP COc1cc(C)[nH+]c(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000270226133 536690724 /nfs/dbraw/zinc/69/07/24/536690724.db2.gz GDTBBNVAPSUNKE-UHFFFAOYSA-N 2 2 346.475 1.529 20 0 EDADLP COc1cc(C)[nH+]c(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000270226133 536690727 /nfs/dbraw/zinc/69/07/27/536690727.db2.gz GDTBBNVAPSUNKE-UHFFFAOYSA-N 2 2 346.475 1.529 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(Cl)c1OCC(N)=O ZINC000261720514 536770000 /nfs/dbraw/zinc/77/00/00/536770000.db2.gz LVDWBVPTZFHJAA-GWCFXTLKSA-N 2 2 341.839 1.382 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(Cl)c1OCC(N)=O ZINC000261720514 536770008 /nfs/dbraw/zinc/77/00/08/536770008.db2.gz LVDWBVPTZFHJAA-GWCFXTLKSA-N 2 2 341.839 1.382 20 0 EDADLP COCC[N@H+](C)CCCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000346757633 536775695 /nfs/dbraw/zinc/77/56/95/536775695.db2.gz GTICZQGXHNRBJJ-UHFFFAOYSA-N 2 2 336.480 1.870 20 0 EDADLP COCC[N@@H+](C)CCCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000346757633 536775699 /nfs/dbraw/zinc/77/56/99/536775699.db2.gz GTICZQGXHNRBJJ-UHFFFAOYSA-N 2 2 336.480 1.870 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C[C@@H](C)O1 ZINC000347075656 546515229 /nfs/dbraw/zinc/51/52/29/546515229.db2.gz FMXDTULDVCKXNG-YFHUEUNASA-N 2 2 335.448 1.005 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C[C@@H](C)O1 ZINC000347075656 546515233 /nfs/dbraw/zinc/51/52/33/546515233.db2.gz FMXDTULDVCKXNG-YFHUEUNASA-N 2 2 335.448 1.005 20 0 EDADLP CC(C)n1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000742663412 579458585 /nfs/dbraw/zinc/45/85/85/579458585.db2.gz NQZVSFOANSQDIQ-SFHVURJKSA-N 2 2 347.507 1.633 20 0 EDADLP CC(C)n1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000742663412 579458586 /nfs/dbraw/zinc/45/85/86/579458586.db2.gz NQZVSFOANSQDIQ-SFHVURJKSA-N 2 2 347.507 1.633 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000743169326 579472092 /nfs/dbraw/zinc/47/20/92/579472092.db2.gz IHYUVKYWKNGPKB-HNNXBMFYSA-N 2 2 344.463 1.729 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397882 579478869 /nfs/dbraw/zinc/47/88/69/579478869.db2.gz BUUYKBVKUDHQOQ-CQSZACIVSA-N 2 2 331.468 1.878 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397882 579478871 /nfs/dbraw/zinc/47/88/71/579478871.db2.gz BUUYKBVKUDHQOQ-CQSZACIVSA-N 2 2 331.468 1.878 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397882 579478873 /nfs/dbraw/zinc/47/88/73/579478873.db2.gz BUUYKBVKUDHQOQ-CQSZACIVSA-N 2 2 331.468 1.878 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397882 579478875 /nfs/dbraw/zinc/47/88/75/579478875.db2.gz BUUYKBVKUDHQOQ-CQSZACIVSA-N 2 2 331.468 1.878 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000726090875 578332777 /nfs/dbraw/zinc/33/27/77/578332777.db2.gz CLTIAKVKRVOFOK-UHFFFAOYSA-N 2 2 342.447 1.798 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726254036 578338157 /nfs/dbraw/zinc/33/81/57/578338157.db2.gz DWGXUJNYGMMFTL-KRWDZBQOSA-N 2 2 342.528 1.717 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726254036 578338158 /nfs/dbraw/zinc/33/81/58/578338158.db2.gz DWGXUJNYGMMFTL-KRWDZBQOSA-N 2 2 342.528 1.717 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000726256797 578339232 /nfs/dbraw/zinc/33/92/32/578339232.db2.gz PKAMHNXFRBESHR-BRWVUGGUSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000726256797 578339233 /nfs/dbraw/zinc/33/92/33/578339233.db2.gz PKAMHNXFRBESHR-BRWVUGGUSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000726256780 578339267 /nfs/dbraw/zinc/33/92/67/578339267.db2.gz PAVUZHPTWHPNPF-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCO1 ZINC000726256780 578339269 /nfs/dbraw/zinc/33/92/69/578339269.db2.gz PAVUZHPTWHPNPF-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP Cc1nn(C)c(C)c1C[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000726797061 578361599 /nfs/dbraw/zinc/36/15/99/578361599.db2.gz YJLABGCKXFDILW-GOSISDBHSA-N 2 2 330.476 1.962 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000726797061 578361600 /nfs/dbraw/zinc/36/16/00/578361600.db2.gz YJLABGCKXFDILW-GOSISDBHSA-N 2 2 330.476 1.962 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000726797061 578361601 /nfs/dbraw/zinc/36/16/01/578361601.db2.gz YJLABGCKXFDILW-GOSISDBHSA-N 2 2 330.476 1.962 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000729606702 578584319 /nfs/dbraw/zinc/58/43/19/578584319.db2.gz UEXSLNRBYSMHBE-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC000729606702 578584321 /nfs/dbraw/zinc/58/43/21/578584321.db2.gz UEXSLNRBYSMHBE-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP CC[C@@]1(C(C)C)NC(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000738160893 578594366 /nfs/dbraw/zinc/59/43/66/578594366.db2.gz ZPUFLMJNSDTASU-YOEHRIQHSA-N 2 2 333.436 1.834 20 0 EDADLP CC[C@@]1(C(C)C)NC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000738160893 578594367 /nfs/dbraw/zinc/59/43/67/578594367.db2.gz ZPUFLMJNSDTASU-YOEHRIQHSA-N 2 2 333.436 1.834 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000736859214 579027695 /nfs/dbraw/zinc/02/76/95/579027695.db2.gz XMMSLTWPWOHASL-CYBMUJFWSA-N 2 2 343.435 1.079 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000736859214 579027696 /nfs/dbraw/zinc/02/76/96/579027696.db2.gz XMMSLTWPWOHASL-CYBMUJFWSA-N 2 2 343.435 1.079 20 0 EDADLP C[NH+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000736859214 579027697 /nfs/dbraw/zinc/02/76/97/579027697.db2.gz XMMSLTWPWOHASL-CYBMUJFWSA-N 2 2 343.435 1.079 20 0 EDADLP C[NH+](CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000736859214 579027698 /nfs/dbraw/zinc/02/76/98/579027698.db2.gz XMMSLTWPWOHASL-CYBMUJFWSA-N 2 2 343.435 1.079 20 0 EDADLP NS(=O)(=O)c1ccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000745984262 579569026 /nfs/dbraw/zinc/56/90/26/579569026.db2.gz GRWIVKJQZVICDO-UHFFFAOYSA-N 2 2 334.445 1.479 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000746318755 579587041 /nfs/dbraw/zinc/58/70/41/579587041.db2.gz RQHTXBKNXVMTGP-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000746318755 579587042 /nfs/dbraw/zinc/58/70/42/579587042.db2.gz RQHTXBKNXVMTGP-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000746318755 579587043 /nfs/dbraw/zinc/58/70/43/579587043.db2.gz RQHTXBKNXVMTGP-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000746318755 579587044 /nfs/dbraw/zinc/58/70/44/579587044.db2.gz RQHTXBKNXVMTGP-DLBZAZTESA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CN1CC2(CCCC2)CC1=O ZINC000746649727 579605023 /nfs/dbraw/zinc/60/50/23/579605023.db2.gz OXIANLWZOBGENA-IXDOHACOSA-N 2 2 335.492 1.920 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CN1CC2(CCCC2)CC1=O ZINC000746649727 579605024 /nfs/dbraw/zinc/60/50/24/579605024.db2.gz OXIANLWZOBGENA-IXDOHACOSA-N 2 2 335.492 1.920 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000748971646 579708816 /nfs/dbraw/zinc/70/88/16/579708816.db2.gz TYIZFYLICIJCKL-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000748971646 579708818 /nfs/dbraw/zinc/70/88/18/579708818.db2.gz TYIZFYLICIJCKL-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000748971646 579708820 /nfs/dbraw/zinc/70/88/20/579708820.db2.gz TYIZFYLICIJCKL-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000748971646 579708821 /nfs/dbraw/zinc/70/88/21/579708821.db2.gz TYIZFYLICIJCKL-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000750851607 579783663 /nfs/dbraw/zinc/78/36/63/579783663.db2.gz AFNQSHWLDUFZFH-UHFFFAOYSA-N 2 2 346.475 1.095 20 0 EDADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000750853726 579784011 /nfs/dbraw/zinc/78/40/11/579784011.db2.gz HAZMPCACKXJSKX-CQSZACIVSA-N 2 2 337.489 1.333 20 0 EDADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000750853726 579784013 /nfs/dbraw/zinc/78/40/13/579784013.db2.gz HAZMPCACKXJSKX-CQSZACIVSA-N 2 2 337.489 1.333 20 0 EDADLP C[C@@H](C(=O)OCCC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000750891417 579786182 /nfs/dbraw/zinc/78/61/82/579786182.db2.gz QZHGZUKTQYPIQV-INIZCTEOSA-N 2 2 332.444 1.699 20 0 EDADLP C[C@@H](C(=O)OCCC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000750891417 579786183 /nfs/dbraw/zinc/78/61/83/579786183.db2.gz QZHGZUKTQYPIQV-INIZCTEOSA-N 2 2 332.444 1.699 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CSCCS1 ZINC000751962743 579830681 /nfs/dbraw/zinc/83/06/81/579830681.db2.gz GYTJMZWEWVKEJV-OAHLLOKOSA-N 2 2 345.578 1.710 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CSCCS1 ZINC000751962743 579830683 /nfs/dbraw/zinc/83/06/83/579830683.db2.gz GYTJMZWEWVKEJV-OAHLLOKOSA-N 2 2 345.578 1.710 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C(=O)CN(c3ccccc3)C2=O)C1 ZINC000755791085 579935228 /nfs/dbraw/zinc/93/52/28/579935228.db2.gz QSEIJJJRWLAGGK-AWEZNQCLSA-N 2 2 339.399 1.636 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C(=O)CN(c3ccccc3)C2=O)C1 ZINC000755791085 579935229 /nfs/dbraw/zinc/93/52/29/579935229.db2.gz QSEIJJJRWLAGGK-AWEZNQCLSA-N 2 2 339.399 1.636 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000759212178 580000852 /nfs/dbraw/zinc/00/08/52/580000852.db2.gz VUPPOSCFTYSCML-UHFFFAOYSA-N 2 2 328.420 1.419 20 0 EDADLP CC(C)(C)OC(=O)N1CC[NH+](CCCNc2cc[nH+]cc2F)CC1 ZINC000775484182 580392288 /nfs/dbraw/zinc/39/22/88/580392288.db2.gz NSOMBSSRXRWFJA-UHFFFAOYSA-N 2 2 338.427 1.997 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cccc2[nH+]ccn21 ZINC000777031540 580432663 /nfs/dbraw/zinc/43/26/63/580432663.db2.gz INFSTCXNHVLDOO-CABCVRRESA-N 2 2 328.416 1.708 20 0 EDADLP Cc1cc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)on1 ZINC000779649007 580492665 /nfs/dbraw/zinc/49/26/65/580492665.db2.gz OZNUPHGOIGJLIJ-INIZCTEOSA-N 2 2 330.388 1.882 20 0 EDADLP Cc1cc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)on1 ZINC000779649007 580492666 /nfs/dbraw/zinc/49/26/66/580492666.db2.gz OZNUPHGOIGJLIJ-INIZCTEOSA-N 2 2 330.388 1.882 20 0 EDADLP CCc1noc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000779648644 580492718 /nfs/dbraw/zinc/49/27/18/580492718.db2.gz NLQPEEUSQXMLRP-AWEZNQCLSA-N 2 2 345.403 1.531 20 0 EDADLP CCc1noc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000779648644 580492719 /nfs/dbraw/zinc/49/27/19/580492719.db2.gz NLQPEEUSQXMLRP-AWEZNQCLSA-N 2 2 345.403 1.531 20 0 EDADLP CC[C@H](C(=O)O[C@@H](C)C(=O)N1CC[NH+](CC)CC1)[NH+](CC)CC ZINC000783782819 580606198 /nfs/dbraw/zinc/60/61/98/580606198.db2.gz JWTPFWDZJABNNA-LSDHHAIUSA-N 2 2 327.469 1.203 20 0 EDADLP CO[C@]1(C)C[C@@H]([N@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1(C)C ZINC000783995880 580611148 /nfs/dbraw/zinc/61/11/48/580611148.db2.gz MFVOZXRZIIFCFR-JCKWVBRZSA-N 2 2 334.464 1.829 20 0 EDADLP CO[C@]1(C)C[C@@H]([N@@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1(C)C ZINC000783995880 580611149 /nfs/dbraw/zinc/61/11/49/580611149.db2.gz MFVOZXRZIIFCFR-JCKWVBRZSA-N 2 2 334.464 1.829 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)C1 ZINC000784039636 580612453 /nfs/dbraw/zinc/61/24/53/580612453.db2.gz XUFDSBBHFMESKA-GJZGRUSLSA-N 2 2 348.447 1.169 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)C1 ZINC000784039636 580612454 /nfs/dbraw/zinc/61/24/54/580612454.db2.gz XUFDSBBHFMESKA-GJZGRUSLSA-N 2 2 348.447 1.169 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc2nc(NC(=O)C[NH+](C)C)ccc2c1 ZINC000785415603 580643199 /nfs/dbraw/zinc/64/31/99/580643199.db2.gz LDQAQDCMCBKHAS-UHFFFAOYSA-N 2 2 329.404 1.235 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000790160956 580763639 /nfs/dbraw/zinc/76/36/39/580763639.db2.gz XDQCLDUKJVTDTN-UHFFFAOYSA-N 2 2 346.475 1.648 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000791258672 580787664 /nfs/dbraw/zinc/78/76/64/580787664.db2.gz KZHCADYUNPEKJA-GJZGRUSLSA-N 2 2 329.379 1.526 20 0 EDADLP Cc1cc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)ncn1 ZINC000793842822 580857697 /nfs/dbraw/zinc/85/76/97/580857697.db2.gz IWBGKMUREKJHTO-QGZVFWFLSA-N 2 2 341.415 1.684 20 0 EDADLP Cc1cc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ncn1 ZINC000793842822 580857698 /nfs/dbraw/zinc/85/76/98/580857698.db2.gz IWBGKMUREKJHTO-QGZVFWFLSA-N 2 2 341.415 1.684 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000794432597 580892384 /nfs/dbraw/zinc/89/23/84/580892384.db2.gz TVIUYVGGUVTQGU-CQSZACIVSA-N 2 2 338.452 1.865 20 0 EDADLP NC(=O)C1([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000795960669 580942230 /nfs/dbraw/zinc/94/22/30/580942230.db2.gz SRJMULHUYGJJKF-UHFFFAOYSA-N 2 2 330.476 1.586 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)OCC(=O)N2 ZINC000796743428 580960972 /nfs/dbraw/zinc/96/09/72/580960972.db2.gz IPOCTNQAPIYYEA-NWANDNLSSA-N 2 2 331.416 1.531 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)OCC(=O)N2 ZINC000796743428 580960973 /nfs/dbraw/zinc/96/09/73/580960973.db2.gz IPOCTNQAPIYYEA-NWANDNLSSA-N 2 2 331.416 1.531 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(N)=S)cc1 ZINC000798326715 580994038 /nfs/dbraw/zinc/99/40/38/580994038.db2.gz NQPPFDQQPKRHNX-UHFFFAOYSA-N 2 2 348.516 1.419 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(N)=S)cc1 ZINC000798326715 580994039 /nfs/dbraw/zinc/99/40/39/580994039.db2.gz NQPPFDQQPKRHNX-UHFFFAOYSA-N 2 2 348.516 1.419 20 0 EDADLP CC(=O)NCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)C[NH+]1CCCC1 ZINC000801561415 581079890 /nfs/dbraw/zinc/07/98/90/581079890.db2.gz PABZBXLIPIRDGK-INIZCTEOSA-N 2 2 339.505 1.451 20 0 EDADLP CC(=O)NCC[N@H+](Cc1ccc(C)s1)C[C@@H](O)C[NH+]1CCCC1 ZINC000801561415 581079891 /nfs/dbraw/zinc/07/98/91/581079891.db2.gz PABZBXLIPIRDGK-INIZCTEOSA-N 2 2 339.505 1.451 20 0 EDADLP CC[C@H](CO)Nc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc[nH+]1 ZINC000891815899 590633441 /nfs/dbraw/zinc/63/34/41/590633441.db2.gz XABPNKZFPLZVBQ-GDBMZVCRSA-N 2 2 349.479 1.715 20 0 EDADLP CC[C@H](CO)Nc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]cn1 ZINC000891815899 590633446 /nfs/dbraw/zinc/63/34/46/590633446.db2.gz XABPNKZFPLZVBQ-GDBMZVCRSA-N 2 2 349.479 1.715 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891915561 590686155 /nfs/dbraw/zinc/68/61/55/590686155.db2.gz IDMOLEIZUHZHTM-MRXNPFEDSA-N 2 2 328.416 1.850 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000891990535 590731409 /nfs/dbraw/zinc/73/14/09/590731409.db2.gz VYIVJOJLRHDRPT-JKSUJKDBSA-N 2 2 331.464 1.640 20 0 EDADLP [NH3+][C@H](CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CC1 ZINC000892049732 590772552 /nfs/dbraw/zinc/77/25/52/590772552.db2.gz XWSWBQKDIJVCCR-CQSZACIVSA-N 2 2 335.477 1.171 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCC1 ZINC000892052897 590773455 /nfs/dbraw/zinc/77/34/55/590773455.db2.gz GOILONUIWWUZNX-UHFFFAOYSA-N 2 2 335.477 1.315 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892104008 590800786 /nfs/dbraw/zinc/80/07/86/590800786.db2.gz UXODGQZNVGYECJ-CYBMUJFWSA-N 2 2 337.493 1.432 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC[N@H+]3CC[C@@H](C)C3)[nH+]c12 ZINC000893382339 590820624 /nfs/dbraw/zinc/82/06/24/590820624.db2.gz OZXWTVLULYWGEA-CQSZACIVSA-N 2 2 329.448 1.826 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC[N@@H+]3CC[C@@H](C)C3)[nH+]c12 ZINC000893382339 590820628 /nfs/dbraw/zinc/82/06/28/590820628.db2.gz OZXWTVLULYWGEA-CQSZACIVSA-N 2 2 329.448 1.826 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3nc(N)[nH+]c(C4CC4)n3)CC2)c1 ZINC000892341312 590969972 /nfs/dbraw/zinc/96/99/72/590969972.db2.gz USSSYERZKRJVPT-UHFFFAOYSA-N 2 2 327.392 1.061 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)[C@H]1C ZINC000892513982 591054407 /nfs/dbraw/zinc/05/44/07/591054407.db2.gz RBMCBQRSLNXKEM-KGLIPLIRSA-N 2 2 349.504 1.527 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000892513773 591054498 /nfs/dbraw/zinc/05/44/98/591054498.db2.gz KGSRJBLQRCBKBX-CABCVRRESA-N 2 2 347.488 1.138 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000892604403 591090976 /nfs/dbraw/zinc/09/09/76/591090976.db2.gz BQFFBVDXKRJLLC-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000892604403 591090980 /nfs/dbraw/zinc/09/09/80/591090980.db2.gz BQFFBVDXKRJLLC-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000892608454 591092773 /nfs/dbraw/zinc/09/27/73/591092773.db2.gz FWWUIZUSJXPHCC-KRWDZBQOSA-N 2 2 334.464 1.186 20 0 EDADLP CCN(CC[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000892608454 591092778 /nfs/dbraw/zinc/09/27/78/591092778.db2.gz FWWUIZUSJXPHCC-KRWDZBQOSA-N 2 2 334.464 1.186 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000891563922 591127279 /nfs/dbraw/zinc/12/72/79/591127279.db2.gz DXYWLCPKYQLAHW-SUNKGSAMSA-N 2 2 326.391 1.699 20 0 EDADLP Cc1cc(N)nc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000891596370 591141364 /nfs/dbraw/zinc/14/13/64/591141364.db2.gz UBCVQJQDCUKUHY-UHFFFAOYSA-N 2 2 341.415 1.461 20 0 EDADLP [NH3+][C@H]1CCN(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC000892709082 591142919 /nfs/dbraw/zinc/14/29/19/591142919.db2.gz CBUZGRJSPZYDCD-KRWDZBQOSA-N 2 2 339.443 1.831 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892800498 591184954 /nfs/dbraw/zinc/18/49/54/591184954.db2.gz SMCFAHAHUNAJTK-MAUKXSAKSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000892837714 591200456 /nfs/dbraw/zinc/20/04/56/591200456.db2.gz FSGBIEGLOSVVOK-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000892837714 591200457 /nfs/dbraw/zinc/20/04/57/591200457.db2.gz FSGBIEGLOSVVOK-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)NCc3cn(C)c[nH+]3)CCCC2)CC1 ZINC000892884889 591215189 /nfs/dbraw/zinc/21/51/89/591215189.db2.gz QOJRALKJPBUGLM-UHFFFAOYSA-N 2 2 349.479 1.643 20 0 EDADLP COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(F)F ZINC000894196776 591223601 /nfs/dbraw/zinc/22/36/01/591223601.db2.gz BTPVBEVFOBTCBR-JSGCOSHPSA-N 2 2 336.342 1.720 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000893021397 591257229 /nfs/dbraw/zinc/25/72/29/591257229.db2.gz SXYDKCRAZOEWMD-NVXWUHKLSA-N 2 2 341.459 1.812 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000893021397 591257231 /nfs/dbraw/zinc/25/72/31/591257231.db2.gz SXYDKCRAZOEWMD-NVXWUHKLSA-N 2 2 341.459 1.812 20 0 EDADLP O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000895772609 591270760 /nfs/dbraw/zinc/27/07/60/591270760.db2.gz SFRYMABOAFNLKM-AWEZNQCLSA-N 2 2 332.429 1.319 20 0 EDADLP C[C@H](O)CNc1cc(N[C@@H](CC[NH+](C)C)c2cccnc2)nc[nH+]1 ZINC000895892425 591298473 /nfs/dbraw/zinc/29/84/73/591298473.db2.gz PNCUCHVSJUYILY-ZFWWWQNUSA-N 2 2 330.436 1.769 20 0 EDADLP C[C@H](O)CNc1cc(N[C@@H](CC[NH+](C)C)c2cccnc2)[nH+]cn1 ZINC000895892425 591298474 /nfs/dbraw/zinc/29/84/74/591298474.db2.gz PNCUCHVSJUYILY-ZFWWWQNUSA-N 2 2 330.436 1.769 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(Br)c[nH]1 ZINC000894454003 591314424 /nfs/dbraw/zinc/31/44/24/591314424.db2.gz KBKWCZKOBPNCSA-UHFFFAOYSA-N 2 2 344.301 1.630 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(Br)c[nH]1 ZINC000894454003 591314427 /nfs/dbraw/zinc/31/44/27/591314427.db2.gz KBKWCZKOBPNCSA-UHFFFAOYSA-N 2 2 344.301 1.630 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[NH+]1CCC([NH2+]C3CCOCC3)CC1)OCCO2 ZINC000896036216 591326573 /nfs/dbraw/zinc/32/65/73/591326573.db2.gz NXSFUWAUBNWWPO-SJORKVTESA-N 2 2 342.455 1.853 20 0 EDADLP CC[N@H+](CC(N)=O)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894540685 591338088 /nfs/dbraw/zinc/33/80/88/591338088.db2.gz LDPHUEATBZRXGL-UHFFFAOYSA-N 2 2 329.347 1.377 20 0 EDADLP CC[N@@H+](CC(N)=O)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894540685 591338091 /nfs/dbraw/zinc/33/80/91/591338091.db2.gz LDPHUEATBZRXGL-UHFFFAOYSA-N 2 2 329.347 1.377 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000896101458 591344846 /nfs/dbraw/zinc/34/48/46/591344846.db2.gz BQKXMTZEMIDODB-SFHVURJKSA-N 2 2 349.475 1.525 20 0 EDADLP CCO[C@@H](CNc1nc(NCCO)c2ccccc2[nH+]1)C[NH+](C)C ZINC000896117718 591349084 /nfs/dbraw/zinc/34/90/84/591349084.db2.gz PCODLDLKLWPJBH-ZDUSSCGKSA-N 2 2 333.436 1.413 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000894672790 591382900 /nfs/dbraw/zinc/38/29/00/591382900.db2.gz KHYSMUMCRRERHE-XHSDSOJGSA-N 2 2 341.496 1.726 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000894672790 591382903 /nfs/dbraw/zinc/38/29/03/591382903.db2.gz KHYSMUMCRRERHE-XHSDSOJGSA-N 2 2 341.496 1.726 20 0 EDADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2)[NH+](C)C ZINC000894742445 591405648 /nfs/dbraw/zinc/40/56/48/591405648.db2.gz FHCPDIAGQAGUPE-RRFJBIMHSA-N 2 2 341.496 1.989 20 0 EDADLP CNC(=O)C[C@H](C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894750194 591407021 /nfs/dbraw/zinc/40/70/21/591407021.db2.gz HFZMZZRBORVPFX-ZDUSSCGKSA-N 2 2 342.484 1.090 20 0 EDADLP CN(C)c1cc[nH+]c(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1 ZINC000896299151 591412322 /nfs/dbraw/zinc/41/23/22/591412322.db2.gz UNIIYXAYWUFZNU-UHFFFAOYSA-N 2 2 340.493 1.488 20 0 EDADLP CC(C)Cn1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000896324404 591418892 /nfs/dbraw/zinc/41/88/92/591418892.db2.gz CPPGFYNZYXJNJI-HNNXBMFYSA-N 2 2 333.480 1.437 20 0 EDADLP CC(C)Cn1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000896324404 591418896 /nfs/dbraw/zinc/41/88/96/591418896.db2.gz CPPGFYNZYXJNJI-HNNXBMFYSA-N 2 2 333.480 1.437 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000898626672 591449530 /nfs/dbraw/zinc/44/95/30/591449530.db2.gz FGEVMWSTJGDOOP-QGZVFWFLSA-N 2 2 327.432 1.836 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000898626672 591449534 /nfs/dbraw/zinc/44/95/34/591449534.db2.gz FGEVMWSTJGDOOP-QGZVFWFLSA-N 2 2 327.432 1.836 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCc2cn(C)c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000894885498 591456665 /nfs/dbraw/zinc/45/66/65/591456665.db2.gz PZTZLXQCIIMJTL-YOEHRIQHSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCc2cn(C)c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000894885498 591456669 /nfs/dbraw/zinc/45/66/69/591456669.db2.gz PZTZLXQCIIMJTL-YOEHRIQHSA-N 2 2 327.432 1.882 20 0 EDADLP CC(C)(O)C[NH+]1CCC(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000896427930 591463948 /nfs/dbraw/zinc/46/39/48/591463948.db2.gz ISIXYMZKJPMSHI-HOTGVXAUSA-N 2 2 327.538 1.391 20 0 EDADLP CC(C)(O)C[NH+]1CCC(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000896427930 591463952 /nfs/dbraw/zinc/46/39/52/591463952.db2.gz ISIXYMZKJPMSHI-HOTGVXAUSA-N 2 2 327.538 1.391 20 0 EDADLP CCCCNc1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc(N)[nH+]1 ZINC000896524450 591492383 /nfs/dbraw/zinc/49/23/83/591492383.db2.gz VELQIOAMSMONHO-AWEZNQCLSA-N 2 2 334.468 1.936 20 0 EDADLP CCCCNc1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)nc(N)[nH+]1 ZINC000896524450 591492387 /nfs/dbraw/zinc/49/23/87/591492387.db2.gz VELQIOAMSMONHO-AWEZNQCLSA-N 2 2 334.468 1.936 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000897513431 591513868 /nfs/dbraw/zinc/51/38/68/591513868.db2.gz BOFLKELKKFTDIX-ZIAGYGMSSA-N 2 2 337.468 1.263 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000897513431 591513873 /nfs/dbraw/zinc/51/38/73/591513873.db2.gz BOFLKELKKFTDIX-ZIAGYGMSSA-N 2 2 337.468 1.263 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000897515514 591515467 /nfs/dbraw/zinc/51/54/67/591515467.db2.gz SZVBOBLOQRODBH-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000897515514 591515470 /nfs/dbraw/zinc/51/54/70/591515470.db2.gz SZVBOBLOQRODBH-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897736187 591656710 /nfs/dbraw/zinc/65/67/10/591656710.db2.gz YBOHHZFMRUJCTI-JKIFEVAISA-N 2 2 347.463 1.112 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000897736187 591656714 /nfs/dbraw/zinc/65/67/14/591656714.db2.gz YBOHHZFMRUJCTI-JKIFEVAISA-N 2 2 347.463 1.112 20 0 EDADLP Cc1cc(NCC[N@@H+]2CCC3(C2)OCCO3)nc(-c2ccncc2)[nH+]1 ZINC000895254700 591683935 /nfs/dbraw/zinc/68/39/35/591683935.db2.gz XGNVOAHXADZLGX-UHFFFAOYSA-N 2 2 341.415 1.130 20 0 EDADLP Cc1cc(NCC[N@H+]2CCC3(C2)OCCO3)nc(-c2ccncc2)[nH+]1 ZINC000895254700 591683938 /nfs/dbraw/zinc/68/39/38/591683938.db2.gz XGNVOAHXADZLGX-UHFFFAOYSA-N 2 2 341.415 1.130 20 0 EDADLP c1ccc(NC2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)[nH+]c1 ZINC000895352920 591725004 /nfs/dbraw/zinc/72/50/04/591725004.db2.gz OPABPIIXDFEMQJ-UHFFFAOYSA-N 2 2 340.431 1.789 20 0 EDADLP CN1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC[N@H+](C)CC1 ZINC000897095596 591737738 /nfs/dbraw/zinc/73/77/38/591737738.db2.gz VIIOOPIKBYBWJK-UHFFFAOYSA-N 2 2 340.475 1.772 20 0 EDADLP CN1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC[N@@H+](C)CC1 ZINC000897095596 591737741 /nfs/dbraw/zinc/73/77/41/591737741.db2.gz VIIOOPIKBYBWJK-UHFFFAOYSA-N 2 2 340.475 1.772 20 0 EDADLP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000897984786 591750006 /nfs/dbraw/zinc/75/00/06/591750006.db2.gz GVBLWSWDKNLJBY-ZDUSSCGKSA-N 2 2 325.372 1.942 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NC[C@@H]3C[C@@H]4COC[C@@H]4O3)c12 ZINC000899262684 591753909 /nfs/dbraw/zinc/75/39/09/591753909.db2.gz WEBWZALSCCPQQE-ZLDLUXBVSA-N 2 2 338.371 1.426 20 0 EDADLP CC[C@H]1C[C@@H](C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCO1 ZINC000895550335 591803640 /nfs/dbraw/zinc/80/36/40/591803640.db2.gz HDFIYNBMPDPKDY-IRXDYDNUSA-N 2 2 337.508 1.997 20 0 EDADLP COC(=O)C[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000898302240 591864058 /nfs/dbraw/zinc/86/40/58/591864058.db2.gz SRXSLNGQFFNXNO-HNNXBMFYSA-N 2 2 330.432 1.750 20 0 EDADLP [NH3+][C@@H]1c2ccccc2C[C@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000900020150 591870407 /nfs/dbraw/zinc/87/04/07/591870407.db2.gz LZQUDRVTIUVNPK-URKNILKWSA-N 2 2 339.443 1.722 20 0 EDADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900141794 591916026 /nfs/dbraw/zinc/91/60/26/591916026.db2.gz QKDXTSSVFFUWGS-BJZITVGISA-N 2 2 331.460 1.005 20 0 EDADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900141794 591916028 /nfs/dbraw/zinc/91/60/28/591916028.db2.gz QKDXTSSVFFUWGS-BJZITVGISA-N 2 2 331.460 1.005 20 0 EDADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000900141794 591916031 /nfs/dbraw/zinc/91/60/31/591916031.db2.gz QKDXTSSVFFUWGS-BJZITVGISA-N 2 2 331.460 1.005 20 0 EDADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000900141794 591916034 /nfs/dbraw/zinc/91/60/34/591916034.db2.gz QKDXTSSVFFUWGS-BJZITVGISA-N 2 2 331.460 1.005 20 0 EDADLP c1nc(-c2nnn(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cs1 ZINC000902138342 591920023 /nfs/dbraw/zinc/92/00/23/591920023.db2.gz JUGASQURMRSEAZ-UHFFFAOYSA-N 2 2 333.465 1.562 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000900233244 591949870 /nfs/dbraw/zinc/94/98/70/591949870.db2.gz ROHQFAKBPCEPRP-VQIMIIECSA-N 2 2 346.475 1.533 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000900233244 591949871 /nfs/dbraw/zinc/94/98/71/591949871.db2.gz ROHQFAKBPCEPRP-VQIMIIECSA-N 2 2 346.475 1.533 20 0 EDADLP C/C(=C\C(=O)Nc1cccnc1-n1cc[nH+]c1C)C[NH+]1CCOCC1 ZINC000900255728 591962083 /nfs/dbraw/zinc/96/20/83/591962083.db2.gz JRBCYRZEORJGNN-WYMLVPIESA-N 2 2 341.415 1.793 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@@]3(CCCOC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000902370653 591982043 /nfs/dbraw/zinc/98/20/43/591982043.db2.gz MLTPKGHKIGKCKI-CRAIPNDOSA-N 2 2 330.432 1.189 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@@]3(CCCOC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000902370653 591982047 /nfs/dbraw/zinc/98/20/47/591982047.db2.gz MLTPKGHKIGKCKI-CRAIPNDOSA-N 2 2 330.432 1.189 20 0 EDADLP COc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902470200 592000769 /nfs/dbraw/zinc/00/07/69/592000769.db2.gz UJBAKTYJBUEJGJ-DZOHQFGASA-N 2 2 327.432 1.901 20 0 EDADLP COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902468293 592000922 /nfs/dbraw/zinc/00/09/22/592000922.db2.gz UJBAKTYJBUEJGJ-LAVFITLUSA-N 2 2 327.432 1.901 20 0 EDADLP CC[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000902516588 592009381 /nfs/dbraw/zinc/00/93/81/592009381.db2.gz DSUCPHCQOUOSCN-SRVKXCTJSA-N 2 2 325.844 1.535 20 0 EDADLP CNc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000902559639 592013833 /nfs/dbraw/zinc/01/38/33/592013833.db2.gz QRBMSSLBVYQEGP-ALOPSCKCSA-N 2 2 330.476 1.902 20 0 EDADLP CNc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000902559639 592013836 /nfs/dbraw/zinc/01/38/36/592013836.db2.gz QRBMSSLBVYQEGP-ALOPSCKCSA-N 2 2 330.476 1.902 20 0 EDADLP CC(C)Cn1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000900693414 592096733 /nfs/dbraw/zinc/09/67/33/592096733.db2.gz RQSNUBQCKCGQPQ-UHFFFAOYSA-N 2 2 335.496 1.637 20 0 EDADLP CC(C)Cn1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000900693414 592096736 /nfs/dbraw/zinc/09/67/36/592096736.db2.gz RQSNUBQCKCGQPQ-UHFFFAOYSA-N 2 2 335.496 1.637 20 0 EDADLP Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n[nH]1 ZINC000903136433 592125825 /nfs/dbraw/zinc/12/58/25/592125825.db2.gz YAWIYRIMLSSGPP-HYVNUMGLSA-N 2 2 349.479 1.424 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC(CC(N)=O)C3)CC2)cc1 ZINC000903260675 592148038 /nfs/dbraw/zinc/14/80/38/592148038.db2.gz MANYWAONBMZLEN-UHFFFAOYSA-N 2 2 330.476 1.965 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@]2(CO)COCCN2C)C1 ZINC000903283437 592148370 /nfs/dbraw/zinc/14/83/70/592148370.db2.gz XEUYAJBTKGNAKK-NEWSRXKRSA-N 2 2 333.476 1.105 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)COCCN2C)C1 ZINC000903283437 592148373 /nfs/dbraw/zinc/14/83/73/592148373.db2.gz XEUYAJBTKGNAKK-NEWSRXKRSA-N 2 2 333.476 1.105 20 0 EDADLP CO[C@@]1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCS(=O)(=O)C1 ZINC000903362557 592158515 /nfs/dbraw/zinc/15/85/15/592158515.db2.gz HKLFAUKRETZOGN-RHSMWYFYSA-N 2 2 349.456 1.727 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)NC(=O)NCc1ccccc1 ZINC000903468272 592174776 /nfs/dbraw/zinc/17/47/76/592174776.db2.gz JLVUJLYNZDMVKD-UKRRQHHQSA-N 2 2 330.432 1.275 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484837 592177811 /nfs/dbraw/zinc/17/78/11/592177811.db2.gz WKVGUHHYJYSOEW-GJZGRUSLSA-N 2 2 337.464 1.195 20 0 EDADLP COc1ccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000903465214 592178521 /nfs/dbraw/zinc/17/85/21/592178521.db2.gz FOQQWOBDQGLUDM-MRXNPFEDSA-N 2 2 333.432 1.194 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000903564963 592212357 /nfs/dbraw/zinc/21/23/57/592212357.db2.gz AHRZBEKEUHYVCB-UHFFFAOYSA-N 2 2 349.859 1.322 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000901147057 592260419 /nfs/dbraw/zinc/26/04/19/592260419.db2.gz CTWGYMCRVWTOCJ-SHARSMKWSA-N 2 2 332.448 1.274 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000901147057 592260422 /nfs/dbraw/zinc/26/04/22/592260422.db2.gz CTWGYMCRVWTOCJ-SHARSMKWSA-N 2 2 332.448 1.274 20 0 EDADLP CCO[C@H]1C[NH2+][C@H](c2nc(-c3cccnc3-n3cc[nH+]c3)no2)C1 ZINC000904572554 592289561 /nfs/dbraw/zinc/28/95/61/592289561.db2.gz QROHXQQRTSMFTN-YPMHNXCESA-N 2 2 326.360 1.757 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903799750 592326762 /nfs/dbraw/zinc/32/67/62/592326762.db2.gz SERPGODVBHVZNQ-APWZRJJASA-N 2 2 344.459 1.606 20 0 EDADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903799750 592326767 /nfs/dbraw/zinc/32/67/67/592326767.db2.gz SERPGODVBHVZNQ-APWZRJJASA-N 2 2 344.459 1.606 20 0 EDADLP O[C@@H](C[N@@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(F)cc1F ZINC000903819520 592331917 /nfs/dbraw/zinc/33/19/17/592331917.db2.gz JSMAFQQVSWGITI-INIZCTEOSA-N 2 2 326.387 1.843 20 0 EDADLP O[C@@H](C[N@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(F)cc1F ZINC000903819520 592331923 /nfs/dbraw/zinc/33/19/23/592331923.db2.gz JSMAFQQVSWGITI-INIZCTEOSA-N 2 2 326.387 1.843 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccccc1N1CCCC1=O)C2 ZINC000903848616 592344329 /nfs/dbraw/zinc/34/43/29/592344329.db2.gz RZHDVNHGHSXLND-KKUMJFAQSA-N 2 2 342.443 1.564 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccccc1N1CCCC1=O)C2 ZINC000903848616 592344334 /nfs/dbraw/zinc/34/43/34/592344334.db2.gz RZHDVNHGHSXLND-KKUMJFAQSA-N 2 2 342.443 1.564 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903892364 592350151 /nfs/dbraw/zinc/35/01/51/592350151.db2.gz RGGXCMAXTITXDV-QWHCGFSZSA-N 2 2 332.439 1.034 20 0 EDADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000903891306 592352634 /nfs/dbraw/zinc/35/26/34/592352634.db2.gz LLRPIXAESBYSCO-HNNXBMFYSA-N 2 2 342.451 1.069 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC[C@H](C(=O)OCC)C1 ZINC000908171041 592359302 /nfs/dbraw/zinc/35/93/02/592359302.db2.gz LTNYKFRUFJZJIC-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC[C@H](C(=O)OCC)C1 ZINC000908171041 592359305 /nfs/dbraw/zinc/35/93/05/592359305.db2.gz LTNYKFRUFJZJIC-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000908171041 592359310 /nfs/dbraw/zinc/35/93/10/592359310.db2.gz LTNYKFRUFJZJIC-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000908171041 592359315 /nfs/dbraw/zinc/35/93/15/592359315.db2.gz LTNYKFRUFJZJIC-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP Oc1cccc(N2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000903879152 592359653 /nfs/dbraw/zinc/35/96/53/592359653.db2.gz ULKGYCQCYMXAND-MRXNPFEDSA-N 2 2 342.447 1.230 20 0 EDADLP CCc1nc(C2([NH2+]C[C@@H](C[NH3+])Cc3cnn(C)c3C)CCCC2)no1 ZINC000903898602 592368994 /nfs/dbraw/zinc/36/89/94/592368994.db2.gz MFJOCXLMSLSPBG-CQSZACIVSA-N 2 2 346.479 1.850 20 0 EDADLP CC[NH+](CC)CCCNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000905080488 592388688 /nfs/dbraw/zinc/38/86/88/592388688.db2.gz LJGBUTHUTRWINU-AWEZNQCLSA-N 2 2 338.452 1.357 20 0 EDADLP CC[NH+](CC)CCCNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000905080488 592388691 /nfs/dbraw/zinc/38/86/91/592388691.db2.gz LJGBUTHUTRWINU-AWEZNQCLSA-N 2 2 338.452 1.357 20 0 EDADLP COCCOc1cccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903974390 592397187 /nfs/dbraw/zinc/39/71/87/592397187.db2.gz POCVOQLTGYJPDF-QGZVFWFLSA-N 2 2 334.460 1.960 20 0 EDADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)c1ccccc1 ZINC000905095895 592421243 /nfs/dbraw/zinc/42/12/43/592421243.db2.gz HHALHHDWEQMHNU-IEZWGBDMSA-N 2 2 336.476 1.608 20 0 EDADLP Cc1ccc(Cc2noc(-c3ccnc(N4CC[NH2+]CC4)c3)n2)c[nH+]1 ZINC000904088748 592424156 /nfs/dbraw/zinc/42/41/56/592424156.db2.gz LSIUJSZOCKFBDF-UHFFFAOYSA-N 2 2 336.399 1.835 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000905151907 592441242 /nfs/dbraw/zinc/44/12/42/592441242.db2.gz PMBGUCSHGXKUCG-ZBFHGGJFSA-N 2 2 330.436 1.659 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000905162905 592449794 /nfs/dbraw/zinc/44/97/94/592449794.db2.gz ZSAWVWAFSZFZEM-LISAXSMJSA-N 2 2 326.481 1.791 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000905162905 592449798 /nfs/dbraw/zinc/44/97/98/592449798.db2.gz ZSAWVWAFSZFZEM-LISAXSMJSA-N 2 2 326.481 1.791 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908376175 592472757 /nfs/dbraw/zinc/47/27/57/592472757.db2.gz QNYPFPMJQBSLQM-UHFFFAOYSA-N 2 2 333.432 1.597 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904307745 592473775 /nfs/dbraw/zinc/47/37/75/592473775.db2.gz FOBOOZPTIXBOHU-IEBWSBKVSA-N 2 2 336.524 1.395 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905398242 592520449 /nfs/dbraw/zinc/52/04/49/592520449.db2.gz HLDAICVBFKZSJE-BZSNNMDCSA-N 2 2 336.476 1.296 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905398242 592520451 /nfs/dbraw/zinc/52/04/51/592520451.db2.gz HLDAICVBFKZSJE-BZSNNMDCSA-N 2 2 336.476 1.296 20 0 EDADLP C[C@@H](C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)S(C)(=O)=O ZINC000905434521 592533642 /nfs/dbraw/zinc/53/36/42/592533642.db2.gz ABDPDRZQGHFYBL-WMLDXEAASA-N 2 2 337.489 1.816 20 0 EDADLP C[C@@H](C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)S(C)(=O)=O ZINC000905434521 592533645 /nfs/dbraw/zinc/53/36/45/592533645.db2.gz ABDPDRZQGHFYBL-WMLDXEAASA-N 2 2 337.489 1.816 20 0 EDADLP C[N@H+](CCO)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000905488038 592550693 /nfs/dbraw/zinc/55/06/93/592550693.db2.gz AMAYZAPZIWKUTD-CQSZACIVSA-N 2 2 349.244 1.309 20 0 EDADLP C[N@@H+](CCO)CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000905488038 592550695 /nfs/dbraw/zinc/55/06/95/592550695.db2.gz AMAYZAPZIWKUTD-CQSZACIVSA-N 2 2 349.244 1.309 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC[C@H]3CC(=O)N(C)C3)c2cc1C ZINC000905527333 592561973 /nfs/dbraw/zinc/56/19/73/592561973.db2.gz AJDBNVZGHRYZLA-JKSUJKDBSA-N 2 2 344.459 1.472 20 0 EDADLP C[NH+](C)Cc1csc(CNC[C@@H](O)C[N@H+](C)Cc2ccccc2)n1 ZINC000905531592 592564160 /nfs/dbraw/zinc/56/41/60/592564160.db2.gz HSNVWQJIGYNORD-QGZVFWFLSA-N 2 2 348.516 1.787 20 0 EDADLP C[NH+](C)Cc1csc(CNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000905531592 592564161 /nfs/dbraw/zinc/56/41/61/592564161.db2.gz HSNVWQJIGYNORD-QGZVFWFLSA-N 2 2 348.516 1.787 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)no1 ZINC000905558588 592566445 /nfs/dbraw/zinc/56/64/45/592566445.db2.gz SXMKZSNDLQCUMK-HNNXBMFYSA-N 2 2 331.420 1.989 20 0 EDADLP O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905620235 592587948 /nfs/dbraw/zinc/58/79/48/592587948.db2.gz QYCCCXVTEWRVOW-AQNXPRMDSA-N 2 2 348.487 1.704 20 0 EDADLP O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000905620235 592587950 /nfs/dbraw/zinc/58/79/50/592587950.db2.gz QYCCCXVTEWRVOW-AQNXPRMDSA-N 2 2 348.487 1.704 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)c2cc1C ZINC000905659894 592599458 /nfs/dbraw/zinc/59/94/58/592599458.db2.gz VMWJKPBYHGGLAN-JNXCCNONSA-N 2 2 327.428 1.779 20 0 EDADLP [NH3+][C@@H]1CC[C@H](Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000905731025 592630564 /nfs/dbraw/zinc/63/05/64/592630564.db2.gz DNKIOWMYQJJKPW-BBWFWOEESA-N 2 2 342.447 1.374 20 0 EDADLP [NH3+][C@@H]1CC[C@H](Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)C1 ZINC000905731025 592630565 /nfs/dbraw/zinc/63/05/65/592630565.db2.gz DNKIOWMYQJJKPW-BBWFWOEESA-N 2 2 342.447 1.374 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(C[N@H+](C)C(C)(C)C)nn2)CC1 ZINC000905784994 592648630 /nfs/dbraw/zinc/64/86/30/592648630.db2.gz HZSBPJSDYCRXMH-CQSZACIVSA-N 2 2 336.484 1.234 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(C[N@@H+](C)C(C)(C)C)nn2)CC1 ZINC000905784994 592648633 /nfs/dbraw/zinc/64/86/33/592648633.db2.gz HZSBPJSDYCRXMH-CQSZACIVSA-N 2 2 336.484 1.234 20 0 EDADLP Cc1cccc([C@H](O)C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000905930172 592686890 /nfs/dbraw/zinc/68/68/90/592686890.db2.gz RSLFVKPNIGYJMR-MISYRCLQSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1cccc([C@H](O)C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000905930172 592686894 /nfs/dbraw/zinc/68/68/94/592686894.db2.gz RSLFVKPNIGYJMR-MISYRCLQSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1cccc([C@H](O)C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000905930172 592686898 /nfs/dbraw/zinc/68/68/98/592686898.db2.gz RSLFVKPNIGYJMR-MISYRCLQSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1cccc([C@H](O)C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000905930172 592686902 /nfs/dbraw/zinc/68/69/02/592686902.db2.gz RSLFVKPNIGYJMR-MISYRCLQSA-N 2 2 347.503 1.365 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cn(Cc3ncon3)nn2)cc1 ZINC000906290635 592781286 /nfs/dbraw/zinc/78/12/86/592781286.db2.gz QOOZCBAERFJICM-UHFFFAOYSA-N 2 2 341.419 1.403 20 0 EDADLP Cc1cc(C)c(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c(C)[nH+]1 ZINC000909313173 592806916 /nfs/dbraw/zinc/80/69/16/592806916.db2.gz OGZMMLFSZYCFGR-UHFFFAOYSA-N 2 2 332.448 1.339 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000906556271 592843990 /nfs/dbraw/zinc/84/39/90/592843990.db2.gz OCXQACKESWFHCP-MRXNPFEDSA-N 2 2 349.479 1.276 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000906556271 592843993 /nfs/dbraw/zinc/84/39/93/592843993.db2.gz OCXQACKESWFHCP-MRXNPFEDSA-N 2 2 349.479 1.276 20 0 EDADLP CC[N@H+](CCNC(=O)c1cccn1CC[NH+]1CCOCC1)C1CC1 ZINC000906552707 592849735 /nfs/dbraw/zinc/84/97/35/592849735.db2.gz JDWZEXLJZBSVEZ-UHFFFAOYSA-N 2 2 334.464 1.034 20 0 EDADLP C[C@H](C(=O)Nc1c[nH+]ccc1Nc1ccccc1)N1CC[NH+](C)CC1 ZINC000911740933 592994249 /nfs/dbraw/zinc/99/42/49/592994249.db2.gz JGBCSBPLOFHBMX-OAHLLOKOSA-N 2 2 339.443 1.822 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000912284394 593082630 /nfs/dbraw/zinc/08/26/30/593082630.db2.gz REZYRBBQOGQQJU-HUUCEWRRSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000912284394 593082631 /nfs/dbraw/zinc/08/26/31/593082631.db2.gz REZYRBBQOGQQJU-HUUCEWRRSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000912284394 593082632 /nfs/dbraw/zinc/08/26/32/593082632.db2.gz REZYRBBQOGQQJU-HUUCEWRRSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000912284394 593082633 /nfs/dbraw/zinc/08/26/33/593082633.db2.gz REZYRBBQOGQQJU-HUUCEWRRSA-N 2 2 339.480 1.251 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C(=O)C(C)(C)[C@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087593 593156829 /nfs/dbraw/zinc/15/68/29/593156829.db2.gz KTJQCRZSYPXNTA-FCEWJHQRSA-N 2 2 335.492 1.778 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C(=O)C(C)(C)[C@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087593 593156832 /nfs/dbraw/zinc/15/68/32/593156832.db2.gz KTJQCRZSYPXNTA-FCEWJHQRSA-N 2 2 335.492 1.778 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C(=O)C(C)(C)[C@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087593 593156834 /nfs/dbraw/zinc/15/68/34/593156834.db2.gz KTJQCRZSYPXNTA-FCEWJHQRSA-N 2 2 335.492 1.778 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C(=O)C(C)(C)[C@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087593 593156837 /nfs/dbraw/zinc/15/68/37/593156837.db2.gz KTJQCRZSYPXNTA-FCEWJHQRSA-N 2 2 335.492 1.778 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000838638093 593199588 /nfs/dbraw/zinc/19/95/88/593199588.db2.gz IISKNDOBSDFHFF-JKSUJKDBSA-N 3 2 348.495 1.385 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000838638093 593199589 /nfs/dbraw/zinc/19/95/89/593199589.db2.gz IISKNDOBSDFHFF-JKSUJKDBSA-N 3 2 348.495 1.385 20 0 EDADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000839853776 593199756 /nfs/dbraw/zinc/19/97/56/593199756.db2.gz LMYIXRBWWZMWQU-QGZVFWFLSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000839853776 593199758 /nfs/dbraw/zinc/19/97/58/593199758.db2.gz LMYIXRBWWZMWQU-QGZVFWFLSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000808193262 593238287 /nfs/dbraw/zinc/23/82/87/593238287.db2.gz VMAARHWKRXQZQR-BZUAXINKSA-N 2 2 331.464 1.252 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808220283 593241585 /nfs/dbraw/zinc/24/15/85/593241585.db2.gz BWDZAQWLQPEAAI-CQSZACIVSA-N 2 2 330.432 1.172 20 0 EDADLP COC(OC)c1ccc(F)c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000809423882 593337352 /nfs/dbraw/zinc/33/73/52/593337352.db2.gz AQKURRIPZDVZNH-HNNXBMFYSA-N 2 2 326.412 1.663 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[NH+]1CCCCC1 ZINC000810182320 593387700 /nfs/dbraw/zinc/38/77/00/593387700.db2.gz RCMYAAZIMHEZKT-INIZCTEOSA-N 2 2 346.475 1.518 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3CCC(C)(C)C3=O)CC2)CC1 ZINC000840040384 593405312 /nfs/dbraw/zinc/40/53/12/593405312.db2.gz ZYLMHMFERNOZCB-UHFFFAOYSA-N 2 2 336.524 1.693 20 0 EDADLP C[C@H](O)CNc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc[nH+]1 ZINC000840244519 593487814 /nfs/dbraw/zinc/48/78/14/593487814.db2.gz VRJNRZKXGGYBCW-ZFWWWQNUSA-N 2 2 335.452 1.325 20 0 EDADLP C[C@H](O)CNc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]cn1 ZINC000840244519 593487815 /nfs/dbraw/zinc/48/78/15/593487815.db2.gz VRJNRZKXGGYBCW-ZFWWWQNUSA-N 2 2 335.452 1.325 20 0 EDADLP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817895223 593646461 /nfs/dbraw/zinc/64/64/61/593646461.db2.gz VJPOLOUXNFUKEY-QRVBRYPASA-N 2 2 334.460 1.864 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000817917869 593648450 /nfs/dbraw/zinc/64/84/50/593648450.db2.gz UIIMZJQWKCESNL-BPQIPLTHSA-N 2 2 331.460 1.534 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817982946 593653454 /nfs/dbraw/zinc/65/34/54/593653454.db2.gz WROIGMQFWITUSW-DGCLKSJQSA-N 2 2 348.415 1.712 20 0 EDADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819020637 593734180 /nfs/dbraw/zinc/73/41/80/593734180.db2.gz GQLQMMDUQSQECC-CVEARBPZSA-N 2 2 341.496 1.678 20 0 EDADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819020637 593734181 /nfs/dbraw/zinc/73/41/81/593734181.db2.gz GQLQMMDUQSQECC-CVEARBPZSA-N 2 2 341.496 1.678 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCc3ccnn3C)c2cc1C ZINC000819235215 593745859 /nfs/dbraw/zinc/74/58/59/593745859.db2.gz WSLDHLKTWIFVCY-INIZCTEOSA-N 2 2 327.432 1.580 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000819244531 593746375 /nfs/dbraw/zinc/74/63/75/593746375.db2.gz LHNHLUUSAZJCNX-OAHLLOKOSA-N 2 2 327.432 1.882 20 0 EDADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000819260875 593747296 /nfs/dbraw/zinc/74/72/96/593747296.db2.gz WHRWBHNVPNSFKA-KBAYOESNSA-N 2 2 332.444 1.337 20 0 EDADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000819260875 593747297 /nfs/dbraw/zinc/74/72/97/593747297.db2.gz WHRWBHNVPNSFKA-KBAYOESNSA-N 2 2 332.444 1.337 20 0 EDADLP C1=CC[NH+]([C@@H]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)C1 ZINC000819718569 593764957 /nfs/dbraw/zinc/76/49/57/593764957.db2.gz KKHUPUVZCFSBDX-CYBMUJFWSA-N 2 2 333.399 1.865 20 0 EDADLP C[NH+](C)C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821583364 593869132 /nfs/dbraw/zinc/86/91/32/593869132.db2.gz SNGCGBXPBFDGED-UHFFFAOYSA-N 2 2 330.436 1.662 20 0 EDADLP COc1cc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)on1 ZINC000820807805 593894502 /nfs/dbraw/zinc/89/45/02/593894502.db2.gz RKRGXGQBDKMJIS-ZDUSSCGKSA-N 2 2 331.420 1.681 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)CO ZINC000824474824 594019832 /nfs/dbraw/zinc/01/98/32/594019832.db2.gz JNFNTJXSTPSJFN-AWEZNQCLSA-N 2 2 327.388 1.786 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000824583164 594042283 /nfs/dbraw/zinc/04/22/83/594042283.db2.gz IJTHLHUSTYDFRS-ILXRZTDVSA-N 2 2 348.434 1.790 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000824583164 594042284 /nfs/dbraw/zinc/04/22/84/594042284.db2.gz IJTHLHUSTYDFRS-ILXRZTDVSA-N 2 2 348.434 1.790 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)/C=C\C[NH+]2CCOCC2)CC[NH2+]1 ZINC000825163091 594139452 /nfs/dbraw/zinc/13/94/52/594139452.db2.gz RUYUOUGHECHXOH-NCRRVARUSA-N 2 2 329.444 1.356 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C\c3cn(C)cn3)CC2)CC1 ZINC000823114414 594155469 /nfs/dbraw/zinc/15/54/69/594155469.db2.gz VSVKFOSLKCFVFL-WAYWQWQTSA-N 2 2 345.491 1.452 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C\c3cn(C)cn3)CC2)CC1 ZINC000823114414 594155470 /nfs/dbraw/zinc/15/54/70/594155470.db2.gz VSVKFOSLKCFVFL-WAYWQWQTSA-N 2 2 345.491 1.452 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826037768 594312882 /nfs/dbraw/zinc/31/28/82/594312882.db2.gz DDKAUFKTVMMWMY-DOTOQJQBSA-N 2 2 341.463 1.080 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826037768 594312884 /nfs/dbraw/zinc/31/28/84/594312884.db2.gz DDKAUFKTVMMWMY-DOTOQJQBSA-N 2 2 341.463 1.080 20 0 EDADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)n1C ZINC000826065145 594322847 /nfs/dbraw/zinc/32/28/47/594322847.db2.gz UFBCLSZFILPZPS-RYUDHWBXSA-N 2 2 330.354 1.571 20 0 EDADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)n1C ZINC000826065145 594322848 /nfs/dbraw/zinc/32/28/48/594322848.db2.gz UFBCLSZFILPZPS-RYUDHWBXSA-N 2 2 330.354 1.571 20 0 EDADLP COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1-c1nn[nH]n1 ZINC000826194223 594372542 /nfs/dbraw/zinc/37/25/42/594372542.db2.gz FUUVJZYKNBWGRO-UHFFFAOYSA-N 2 2 339.403 1.978 20 0 EDADLP Cc1cccc2c(NC[C@@H](C3CC3)[NH+](C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000826304293 594416379 /nfs/dbraw/zinc/41/63/79/594416379.db2.gz GDQSOEPNKWDSST-HNNXBMFYSA-N 2 2 337.431 1.897 20 0 EDADLP Cc1cc[nH+]c(N2CCC(OCCC[NH+](C)C)CC2)c1-c1nn[nH]n1 ZINC000826310079 594417572 /nfs/dbraw/zinc/41/75/72/594417572.db2.gz KTXYUMYNJDTUPZ-UHFFFAOYSA-N 2 2 345.451 1.507 20 0 EDADLP c1cn2c([nH+]1)CC[C@@H](Nc1[nH+]c3c(cc1-c1nn[nH]n1)CCCC3)C2 ZINC000826524976 594518357 /nfs/dbraw/zinc/51/83/57/594518357.db2.gz QNEKOIDBKQDEOX-GFCCVEGCSA-N 2 2 336.403 1.764 20 0 EDADLP c1cn2c([nH+]1)[C@@H](CNc1[nH+]c3c(cc1-c1nn[nH]n1)CCC3)CCC2 ZINC000826525020 594518542 /nfs/dbraw/zinc/51/85/42/594518542.db2.gz SHPGJKINBMVUIE-GFCCVEGCSA-N 2 2 336.403 1.936 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1)[NH+](C)C ZINC000826563439 594527110 /nfs/dbraw/zinc/52/71/10/594527110.db2.gz GBXKQQYBYMJJRS-MSOLQXFVSA-N 2 2 333.476 1.652 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)[NH+](C)C ZINC000826563439 594527112 /nfs/dbraw/zinc/52/71/12/594527112.db2.gz GBXKQQYBYMJJRS-MSOLQXFVSA-N 2 2 333.476 1.652 20 0 EDADLP [NH3+]Cc1cccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000826732480 594566426 /nfs/dbraw/zinc/56/64/26/594566426.db2.gz JJBSKHZUKDXYIM-UHFFFAOYSA-N 2 2 326.400 1.307 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1(C)C ZINC000831392058 594621960 /nfs/dbraw/zinc/62/19/60/594621960.db2.gz FLRCMPDJJZCXBJ-JCGIZDLHSA-N 2 2 349.475 1.573 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCn4cc[nH+]c43)cc2)CC1 ZINC000833292144 594821608 /nfs/dbraw/zinc/82/16/08/594821608.db2.gz CCUJURIZDLSAHV-QGZVFWFLSA-N 2 2 339.443 1.900 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000841692611 594938542 /nfs/dbraw/zinc/93/85/42/594938542.db2.gz WPUXZAWHBPAPCQ-HIFRSBDPSA-N 2 2 328.420 1.394 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(CC[NH3+])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000841793728 594954383 /nfs/dbraw/zinc/95/43/83/594954383.db2.gz JOAGUHOONKDHKX-GJZGRUSLSA-N 2 2 334.464 1.096 20 0 EDADLP [NH3+]CCc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000841864682 594967918 /nfs/dbraw/zinc/96/79/18/594967918.db2.gz OSKPYKVINKPDOR-QGZVFWFLSA-N 2 2 339.443 1.661 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c21)N1CC[NH+](CCc2cccs2)CC1 ZINC000836519645 594971704 /nfs/dbraw/zinc/97/17/04/594971704.db2.gz ZJUIGBCXFGAIPT-HNNXBMFYSA-N 2 2 345.472 1.959 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841932924 594984743 /nfs/dbraw/zinc/98/47/43/594984743.db2.gz ZAIMNVNJZWQFLY-YJBOKZPZSA-N 2 2 346.475 1.192 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3noc(C[C@@H]4CCC[NH2+]4)n3)C2)cc1 ZINC000843204833 595033899 /nfs/dbraw/zinc/03/38/99/595033899.db2.gz JNJNTLWKYQYMNL-HOTGVXAUSA-N 2 2 328.416 1.938 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3noc(C[C@@H]4CCC[NH2+]4)n3)C2)cc1 ZINC000843204833 595033903 /nfs/dbraw/zinc/03/39/03/595033903.db2.gz JNJNTLWKYQYMNL-HOTGVXAUSA-N 2 2 328.416 1.938 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCCCCCC[NH3+] ZINC000843262072 595057046 /nfs/dbraw/zinc/05/70/46/595057046.db2.gz MPJTXMDZLPXBLB-OAHLLOKOSA-N 2 2 349.479 1.592 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843354602 595085399 /nfs/dbraw/zinc/08/53/99/595085399.db2.gz LOOXLZJMGAEVAI-WCQYABFASA-N 2 2 333.436 1.901 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843354602 595085401 /nfs/dbraw/zinc/08/54/01/595085401.db2.gz LOOXLZJMGAEVAI-WCQYABFASA-N 2 2 333.436 1.901 20 0 EDADLP CC(=O)Nc1ccc2c(C[NH2+][C@@](C)(C[NH3+])C3CC3)cc(=O)oc2c1 ZINC000843356595 595085989 /nfs/dbraw/zinc/08/59/89/595085989.db2.gz YAUIHJBLROIPRE-SFHVURJKSA-N 2 2 329.400 1.968 20 0 EDADLP COc1ccc2cc(/C=C/C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc2c1 ZINC000843357587 595086442 /nfs/dbraw/zinc/08/64/42/595086442.db2.gz LDEDMCMAVWXABC-PYJQOMOHSA-N 2 2 339.439 1.963 20 0 EDADLP COc1ccc2cc(/C=C/C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc2c1 ZINC000843357587 595086445 /nfs/dbraw/zinc/08/64/45/595086445.db2.gz LDEDMCMAVWXABC-PYJQOMOHSA-N 2 2 339.439 1.963 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843378840 595094147 /nfs/dbraw/zinc/09/41/47/595094147.db2.gz IBMSGICBMZBXMB-HNAYVOBHSA-N 2 2 346.475 1.521 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000843378840 595094151 /nfs/dbraw/zinc/09/41/51/595094151.db2.gz IBMSGICBMZBXMB-HNAYVOBHSA-N 2 2 346.475 1.521 20 0 EDADLP Cc1cc(C)c(N2CC[C@@H]([N@@H+]3CCCO[C@H](C[NH3+])C3)C2=O)c(C)c1 ZINC000842479171 595115532 /nfs/dbraw/zinc/11/55/32/595115532.db2.gz PBPPHGUVIQXQOH-IAGOWNOFSA-N 2 2 331.460 1.767 20 0 EDADLP Cc1cc(C)c(N2CC[C@@H]([N@H+]3CCCO[C@H](C[NH3+])C3)C2=O)c(C)c1 ZINC000842479171 595115537 /nfs/dbraw/zinc/11/55/37/595115537.db2.gz PBPPHGUVIQXQOH-IAGOWNOFSA-N 2 2 331.460 1.767 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)n2)CC12CCOCC2 ZINC000843125645 595292879 /nfs/dbraw/zinc/29/28/79/595292879.db2.gz ZZFKGLHAAKUUBY-OAHLLOKOSA-N 2 2 327.432 1.455 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)n2)CC12CCOCC2 ZINC000843125645 595292881 /nfs/dbraw/zinc/29/28/81/595292881.db2.gz ZZFKGLHAAKUUBY-OAHLLOKOSA-N 2 2 327.432 1.455 20 0 EDADLP Cn1nc(Br)cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000843125528 595293089 /nfs/dbraw/zinc/29/30/89/595293089.db2.gz XTFZLDGTKQSDLN-OCCSQVGLSA-N 2 2 343.269 1.511 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000846669916 595297315 /nfs/dbraw/zinc/29/73/15/595297315.db2.gz JYLARJPRPNCKBL-CABCVRRESA-N 2 2 327.375 1.144 20 0 EDADLP Cc1ccc(N2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)C2)cc1C ZINC000846673834 595298105 /nfs/dbraw/zinc/29/81/05/595298105.db2.gz SATWSGRCSSJPPF-SJLPKXTDSA-N 2 2 332.492 1.620 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221082 595306261 /nfs/dbraw/zinc/30/62/61/595306261.db2.gz SQVXKNZPUZMHCU-SFHVURJKSA-N 2 2 334.464 1.425 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000844225572 595309322 /nfs/dbraw/zinc/30/93/22/595309322.db2.gz RMPABMRXQDXJRV-PBHICJAKSA-N 2 2 345.491 1.536 20 0 EDADLP CCN1C[C@H](C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)OC1=O ZINC000846787283 595316469 /nfs/dbraw/zinc/31/64/69/595316469.db2.gz CODJYOMHDMFELM-BBWFWOEESA-N 2 2 338.496 1.318 20 0 EDADLP CCN1C[C@H](C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)OC1=O ZINC000846787283 595316472 /nfs/dbraw/zinc/31/64/72/595316472.db2.gz CODJYOMHDMFELM-BBWFWOEESA-N 2 2 338.496 1.318 20 0 EDADLP O=C1O[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CN1C1CCCCC1 ZINC000846876409 595331219 /nfs/dbraw/zinc/33/12/19/595331219.db2.gz ROEDCCFEKMIHFI-HNNXBMFYSA-N 2 2 333.436 1.685 20 0 EDADLP CN(C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C(=O)OC(C)(C)C ZINC000849325172 595506488 /nfs/dbraw/zinc/50/64/88/595506488.db2.gz DDDSJZSZOLDRAE-KBPBESRZSA-N 2 2 329.485 1.677 20 0 EDADLP CN(C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C(=O)OC(C)(C)C ZINC000849325172 595506489 /nfs/dbraw/zinc/50/64/89/595506489.db2.gz DDDSJZSZOLDRAE-KBPBESRZSA-N 2 2 329.485 1.677 20 0 EDADLP O[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000850529508 595529135 /nfs/dbraw/zinc/52/91/35/595529135.db2.gz QRVWCCFMKWOXQB-WOJBJXKFSA-N 2 2 345.487 1.551 20 0 EDADLP O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c2ccccc21 ZINC000850529508 595529140 /nfs/dbraw/zinc/52/91/40/595529140.db2.gz QRVWCCFMKWOXQB-WOJBJXKFSA-N 2 2 345.487 1.551 20 0 EDADLP CCCCOC(=O)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765492 595533138 /nfs/dbraw/zinc/53/31/38/595533138.db2.gz PDEMIINGKZNDJW-HNNXBMFYSA-N 2 2 349.479 1.342 20 0 EDADLP CCCCOC(=O)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765492 595533142 /nfs/dbraw/zinc/53/31/42/595533142.db2.gz PDEMIINGKZNDJW-HNNXBMFYSA-N 2 2 349.479 1.342 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccns1 ZINC000860055751 595559320 /nfs/dbraw/zinc/55/93/20/595559320.db2.gz FRESLPVIEILKCJ-KGLIPLIRSA-N 2 2 345.472 1.926 20 0 EDADLP C[C@H]1CCc2nc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cn2C1 ZINC000857939492 595659626 /nfs/dbraw/zinc/65/96/26/595659626.db2.gz OVSZYYRCTZRPPU-AWEZNQCLSA-N 2 2 333.480 1.221 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857982937 595676404 /nfs/dbraw/zinc/67/64/04/595676404.db2.gz STXBSAMKNPWDQR-GFCCVEGCSA-N 2 2 325.376 1.294 20 0 EDADLP C[NH+]1CCN([C@H](C(=O)N[C@H]2CCn3c[nH+]cc32)c2ccccc2)CC1 ZINC000857983504 595676441 /nfs/dbraw/zinc/67/64/41/595676441.db2.gz BALWSNWFASNNRG-WMZOPIPTSA-N 2 2 339.443 1.433 20 0 EDADLP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Br)n1 ZINC000858194457 595726630 /nfs/dbraw/zinc/72/66/30/595726630.db2.gz GEHWCOWFWDZBTL-ZDUSSCGKSA-N 2 2 343.269 1.526 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000858480768 595806663 /nfs/dbraw/zinc/80/66/63/595806663.db2.gz CHDWZQZJVNAVDJ-JJXSEGSLSA-N 2 2 341.496 1.989 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000858480768 595806664 /nfs/dbraw/zinc/80/66/64/595806664.db2.gz CHDWZQZJVNAVDJ-JJXSEGSLSA-N 2 2 341.496 1.989 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1Cn1cccn1 ZINC000858549445 595826027 /nfs/dbraw/zinc/82/60/27/595826027.db2.gz WQSRQUONCSOKES-CRAIPNDOSA-N 2 2 344.459 1.657 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1Cn1cccn1 ZINC000858549445 595826030 /nfs/dbraw/zinc/82/60/30/595826030.db2.gz WQSRQUONCSOKES-CRAIPNDOSA-N 2 2 344.459 1.657 20 0 EDADLP C[NH+](C)C1CC[NH+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851726417 595899030 /nfs/dbraw/zinc/89/90/30/595899030.db2.gz RCSCHEQPOJGFBN-HNNXBMFYSA-N 2 2 327.469 1.648 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849440 595946439 /nfs/dbraw/zinc/94/64/39/595946439.db2.gz UPKWRLOVSZSNPK-OAGGEKHMSA-N 2 2 343.512 1.923 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849440 595946442 /nfs/dbraw/zinc/94/64/42/595946442.db2.gz UPKWRLOVSZSNPK-OAGGEKHMSA-N 2 2 343.512 1.923 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849440 595946444 /nfs/dbraw/zinc/94/64/44/595946444.db2.gz UPKWRLOVSZSNPK-OAGGEKHMSA-N 2 2 343.512 1.923 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849440 595946447 /nfs/dbraw/zinc/94/64/47/595946447.db2.gz UPKWRLOVSZSNPK-OAGGEKHMSA-N 2 2 343.512 1.923 20 0 EDADLP C[C@@H]1CC[N@H+](CCn2cnc(Br)n2)C[C@@H]1n1cc[nH+]c1 ZINC000851859032 595950910 /nfs/dbraw/zinc/95/09/10/595950910.db2.gz XVMNCEYIIBENID-NEPJUHHUSA-N 2 2 339.241 1.820 20 0 EDADLP C[C@@H]1CC[N@@H+](CCn2cnc(Br)n2)C[C@@H]1n1cc[nH+]c1 ZINC000851859032 595950913 /nfs/dbraw/zinc/95/09/13/595950913.db2.gz XVMNCEYIIBENID-NEPJUHHUSA-N 2 2 339.241 1.820 20 0 EDADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000854222727 596006949 /nfs/dbraw/zinc/00/69/49/596006949.db2.gz KPOVPHNDMJURPB-TVFCKZIOSA-N 2 2 347.459 1.024 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000852110021 596047546 /nfs/dbraw/zinc/04/75/46/596047546.db2.gz KQBUQIHVHQPYQN-OAHLLOKOSA-N 2 2 339.430 1.934 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000852110021 596047551 /nfs/dbraw/zinc/04/75/51/596047551.db2.gz KQBUQIHVHQPYQN-OAHLLOKOSA-N 2 2 339.430 1.934 20 0 EDADLP Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(Cl)n1 ZINC000856764995 596076143 /nfs/dbraw/zinc/07/61/43/596076143.db2.gz CVQYBPDUBKQHHY-UHFFFAOYSA-N 2 2 334.855 1.510 20 0 EDADLP COc1cccc([C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000864612490 596281756 /nfs/dbraw/zinc/28/17/56/596281756.db2.gz PRNXWBIMHUNYMB-GNJLHFKMSA-N 2 2 347.459 1.303 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000864614477 596283247 /nfs/dbraw/zinc/28/32/47/596283247.db2.gz CTHJWFGOHOTSOC-MRXNPFEDSA-N 2 2 348.422 1.489 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000864614477 596283248 /nfs/dbraw/zinc/28/32/48/596283248.db2.gz CTHJWFGOHOTSOC-MRXNPFEDSA-N 2 2 348.422 1.489 20 0 EDADLP Cc1c(F)nccc1C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000862314391 596301348 /nfs/dbraw/zinc/30/13/48/596301348.db2.gz AJOJUCUHOVDYFE-AWEZNQCLSA-N 2 2 331.395 1.543 20 0 EDADLP Cc1c(F)nccc1C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000862314392 596301390 /nfs/dbraw/zinc/30/13/90/596301390.db2.gz AJOJUCUHOVDYFE-CQSZACIVSA-N 2 2 331.395 1.543 20 0 EDADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000862551823 596344674 /nfs/dbraw/zinc/34/46/74/596344674.db2.gz QBISGSUJAJRFHC-PMPSAXMXSA-N 2 2 341.496 1.821 20 0 EDADLP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000862551823 596344677 /nfs/dbraw/zinc/34/46/77/596344677.db2.gz QBISGSUJAJRFHC-PMPSAXMXSA-N 2 2 341.496 1.821 20 0 EDADLP CC(C)(C)OC(=O)N(CC[NH2+]CC[N@@H+]1CC[C@H](O)C1)C(C)(C)C ZINC000862549986 596344784 /nfs/dbraw/zinc/34/47/84/596344784.db2.gz AYZXPESUHAUFJB-AWEZNQCLSA-N 2 2 329.485 1.678 20 0 EDADLP CC(C)(C)OC(=O)N(CC[NH2+]CC[N@H+]1CC[C@H](O)C1)C(C)(C)C ZINC000862549986 596344785 /nfs/dbraw/zinc/34/47/85/596344785.db2.gz AYZXPESUHAUFJB-AWEZNQCLSA-N 2 2 329.485 1.678 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)CC[NH2+]CC2CC2)[NH+]2CCOCC2)c1 ZINC000870866005 596382848 /nfs/dbraw/zinc/38/28/48/596382848.db2.gz PTJXXNLZQJCJQV-LJQANCHMSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[NH2+]CC3CC3)C2)cc1 ZINC000870979765 596426481 /nfs/dbraw/zinc/42/64/81/596426481.db2.gz RIOGRONBNJEZSB-IBGZPJMESA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[NH2+]CC3CC3)C2)cc1 ZINC000870979765 596426483 /nfs/dbraw/zinc/42/64/83/596426483.db2.gz RIOGRONBNJEZSB-IBGZPJMESA-N 2 2 345.487 1.702 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979179 596426829 /nfs/dbraw/zinc/42/68/29/596426829.db2.gz HVWPSLQOKZWCTQ-IEBWSBKVSA-N 2 2 333.476 1.830 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979179 596426832 /nfs/dbraw/zinc/42/68/32/596426832.db2.gz HVWPSLQOKZWCTQ-IEBWSBKVSA-N 2 2 333.476 1.830 20 0 EDADLP COCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865015365 596444912 /nfs/dbraw/zinc/44/49/12/596444912.db2.gz UFUUURGIBDGZQB-CYBMUJFWSA-N 2 2 333.423 1.191 20 0 EDADLP COCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865015365 596444914 /nfs/dbraw/zinc/44/49/14/596444914.db2.gz UFUUURGIBDGZQB-CYBMUJFWSA-N 2 2 333.423 1.191 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)c1ccco1 ZINC000865028450 596449316 /nfs/dbraw/zinc/44/93/16/596449316.db2.gz MZCNYEZKVWTPJY-SBSDFTTDSA-N 2 2 335.448 1.667 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000865060779 596459380 /nfs/dbraw/zinc/45/93/80/596459380.db2.gz SVGVLOABRGELIN-CVEARBPZSA-N 2 2 326.400 1.670 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000865060779 596459383 /nfs/dbraw/zinc/45/93/83/596459383.db2.gz SVGVLOABRGELIN-CVEARBPZSA-N 2 2 326.400 1.670 20 0 EDADLP Cc1ccn(C[C@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000865063388 596461029 /nfs/dbraw/zinc/46/10/29/596461029.db2.gz CWBHTHHDMTZSAB-HNNXBMFYSA-N 2 2 347.507 1.502 20 0 EDADLP c1c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nnn1C[C@@H]1CCCO1 ZINC000865462651 596582476 /nfs/dbraw/zinc/58/24/76/596582476.db2.gz ONUWXJNYBRXLJG-ROUUACIJSA-N 2 2 349.479 1.190 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000865505949 596593632 /nfs/dbraw/zinc/59/36/32/596593632.db2.gz MVWNBSYSTHPCFP-SJLPKXTDSA-N 2 2 335.496 1.915 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000865505949 596593636 /nfs/dbraw/zinc/59/36/36/596593636.db2.gz MVWNBSYSTHPCFP-SJLPKXTDSA-N 2 2 335.496 1.915 20 0 EDADLP CN1CCN(S(=O)(=O)CCC[NH+]2CCCC2)Cc2ccc[nH+]c21 ZINC000867900566 596608936 /nfs/dbraw/zinc/60/89/36/596608936.db2.gz UXNSCMASOXFQFC-UHFFFAOYSA-N 2 2 338.477 1.149 20 0 EDADLP c1ccc(CNc2cc(N3CC[NH+]([C@H]4CCOC4)CC3)nc[nH+]2)cc1 ZINC000865625020 596631078 /nfs/dbraw/zinc/63/10/78/596631078.db2.gz UWSIESXDSMWDOR-KRWDZBQOSA-N 2 2 339.443 2.000 20 0 EDADLP c1c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nnn1C[C@@H]1CCCO1 ZINC000865636573 596634724 /nfs/dbraw/zinc/63/47/24/596634724.db2.gz MUVUUGOQCCBTLH-AEFFLSMTSA-N 2 2 333.480 1.669 20 0 EDADLP c1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nnn1C[C@@H]1CCCO1 ZINC000865636573 596634726 /nfs/dbraw/zinc/63/47/26/596634726.db2.gz MUVUUGOQCCBTLH-AEFFLSMTSA-N 2 2 333.480 1.669 20 0 EDADLP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)o1 ZINC000865659967 596641697 /nfs/dbraw/zinc/64/16/97/596641697.db2.gz OFFMGVSEGWRXHQ-HNNXBMFYSA-N 2 2 332.448 1.923 20 0 EDADLP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)o1 ZINC000865659967 596641698 /nfs/dbraw/zinc/64/16/98/596641698.db2.gz OFFMGVSEGWRXHQ-HNNXBMFYSA-N 2 2 332.448 1.923 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)CC[C@@H]21 ZINC000868019823 596657004 /nfs/dbraw/zinc/65/70/04/596657004.db2.gz DDEQYAWQTVAAAU-HOTGVXAUSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)CC[C@@H]21 ZINC000868019823 596657007 /nfs/dbraw/zinc/65/70/07/596657007.db2.gz DDEQYAWQTVAAAU-HOTGVXAUSA-N 2 2 340.431 1.503 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000865749018 596669377 /nfs/dbraw/zinc/66/93/77/596669377.db2.gz MWIBMYDRXHNNLY-AEFFLSMTSA-N 2 2 343.471 1.665 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000865749018 596669380 /nfs/dbraw/zinc/66/93/80/596669380.db2.gz MWIBMYDRXHNNLY-AEFFLSMTSA-N 2 2 343.471 1.665 20 0 EDADLP C[C@H](c1cccc(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000868120334 596692765 /nfs/dbraw/zinc/69/27/65/596692765.db2.gz LPAOVZXVEKRPGP-IIAWOOMASA-N 2 2 332.448 1.939 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)cc2C1 ZINC000868176199 596712175 /nfs/dbraw/zinc/71/21/75/596712175.db2.gz MDVATRXIDHUZRG-LSDHHAIUSA-N 2 2 326.404 1.787 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)cc2C1 ZINC000868176199 596712178 /nfs/dbraw/zinc/71/21/78/596712178.db2.gz MDVATRXIDHUZRG-LSDHHAIUSA-N 2 2 326.404 1.787 20 0 EDADLP Nc1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc(C2CCCC2)[nH+]1 ZINC000865919093 596721579 /nfs/dbraw/zinc/72/15/79/596721579.db2.gz UKOQSUOUJQURMG-HNNXBMFYSA-N 2 2 346.479 1.803 20 0 EDADLP C[C@@](O)(C[C@H](O)C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1)C1CC1 ZINC000863968892 596737457 /nfs/dbraw/zinc/73/74/57/596737457.db2.gz QCIKLLYRLSODTH-WMLDXEAASA-N 2 2 341.521 1.397 20 0 EDADLP C[NH+]1CCC2(CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000866054938 596773442 /nfs/dbraw/zinc/77/34/42/596773442.db2.gz LOENQECOFCIAHR-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP C[NH+]1CCC2(CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000866054938 596773445 /nfs/dbraw/zinc/77/34/45/596773445.db2.gz LOENQECOFCIAHR-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151908 596814164 /nfs/dbraw/zinc/81/41/64/596814164.db2.gz YVCJMWFGPCNHLE-RAIGVLPGSA-N 2 2 347.356 1.899 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151908 596814166 /nfs/dbraw/zinc/81/41/66/596814166.db2.gz YVCJMWFGPCNHLE-RAIGVLPGSA-N 2 2 347.356 1.899 20 0 EDADLP Cn1cnc([C@@H]2C[N@H+](CCC(=O)N3CCc4ccccc43)C[C@H]2[NH3+])c1 ZINC000864297079 596820287 /nfs/dbraw/zinc/82/02/87/596820287.db2.gz JGTLJTDLKLJDDH-HZPDHXFCSA-N 2 2 339.443 1.126 20 0 EDADLP Cn1cnc([C@@H]2C[N@@H+](CCC(=O)N3CCc4ccccc43)C[C@H]2[NH3+])c1 ZINC000864297079 596820289 /nfs/dbraw/zinc/82/02/89/596820289.db2.gz JGTLJTDLKLJDDH-HZPDHXFCSA-N 2 2 339.443 1.126 20 0 EDADLP CCO[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCCC1 ZINC000866352313 596864012 /nfs/dbraw/zinc/86/40/12/596864012.db2.gz IIGGVUWZSXFGEI-KRWDZBQOSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccn(C(C)(C)C)c2=O)CC1 ZINC000866354176 596864697 /nfs/dbraw/zinc/86/46/97/596864697.db2.gz YDMPSHOQRXIBDC-UHFFFAOYSA-N 2 2 348.491 1.359 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C)c3[nH+]cccc3C1)C2 ZINC000872309774 596877026 /nfs/dbraw/zinc/87/70/26/596877026.db2.gz XGKGGPSRNXLJFQ-CQSZACIVSA-N 2 2 325.416 1.628 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000866415269 596880719 /nfs/dbraw/zinc/88/07/19/596880719.db2.gz YWVYUGGDWNBFOQ-RRFJBIMHSA-N 2 2 341.496 1.867 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000866415269 596880723 /nfs/dbraw/zinc/88/07/23/596880723.db2.gz YWVYUGGDWNBFOQ-RRFJBIMHSA-N 2 2 341.496 1.867 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCOC[C@H]1CC ZINC000875589574 596907143 /nfs/dbraw/zinc/90/71/43/596907143.db2.gz AOWOZVYIIHNDHD-JKSUJKDBSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCOC[C@H]1CC ZINC000875589574 596907145 /nfs/dbraw/zinc/90/71/45/596907145.db2.gz AOWOZVYIIHNDHD-JKSUJKDBSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875589574 596907149 /nfs/dbraw/zinc/90/71/49/596907149.db2.gz AOWOZVYIIHNDHD-JKSUJKDBSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875589574 596907151 /nfs/dbraw/zinc/90/71/51/596907151.db2.gz AOWOZVYIIHNDHD-JKSUJKDBSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)[NH+]1CCSCC1 ZINC000124910685 596982739 /nfs/dbraw/zinc/98/27/39/596982739.db2.gz RFLBTZJMNYJPGR-OAHLLOKOSA-N 2 2 348.516 1.814 20 0 EDADLP CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC000872732397 597050513 /nfs/dbraw/zinc/05/05/13/597050513.db2.gz VNTRHOLTPLDCCN-QGZVFWFLSA-N 2 2 336.524 1.550 20 0 EDADLP CN(C(=O)NCc1ccnc(F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876039997 597070049 /nfs/dbraw/zinc/07/00/49/597070049.db2.gz GDYDZLIMZKCRPJ-INIZCTEOSA-N 2 2 349.454 1.531 20 0 EDADLP CN(C(=O)NCc1ccnc(F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876039997 597070053 /nfs/dbraw/zinc/07/00/53/597070053.db2.gz GDYDZLIMZKCRPJ-INIZCTEOSA-N 2 2 349.454 1.531 20 0 EDADLP Cc1nccnc1[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000872901271 597116951 /nfs/dbraw/zinc/11/69/51/597116951.db2.gz IHISPRYULSMRHK-LSDHHAIUSA-N 2 2 346.479 1.314 20 0 EDADLP Cc1nccnc1[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000872901271 597116953 /nfs/dbraw/zinc/11/69/53/597116953.db2.gz IHISPRYULSMRHK-LSDHHAIUSA-N 2 2 346.479 1.314 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)nn2)cc1 ZINC000873027741 597164563 /nfs/dbraw/zinc/16/45/63/597164563.db2.gz XDMANGYQUFJNPW-OAHLLOKOSA-N 2 2 340.431 1.957 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)CC1 ZINC000874893166 597212294 /nfs/dbraw/zinc/21/22/94/597212294.db2.gz OTLBMDCNPTXGPQ-GOSISDBHSA-N 2 2 348.466 1.326 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)CC1 ZINC000874893166 597212296 /nfs/dbraw/zinc/21/22/96/597212296.db2.gz OTLBMDCNPTXGPQ-GOSISDBHSA-N 2 2 348.466 1.326 20 0 EDADLP NC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208750 597227676 /nfs/dbraw/zinc/22/76/76/597227676.db2.gz UPKYDRHPQVKUSB-KRWDZBQOSA-N 2 2 327.453 1.979 20 0 EDADLP COCC(COC)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873214158 597229818 /nfs/dbraw/zinc/22/98/18/597229818.db2.gz ZJRMJZMOGOCKHZ-UHFFFAOYSA-N 2 2 339.505 1.173 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)[C@H]1CCCC[NH2+]1 ZINC000873249348 597240297 /nfs/dbraw/zinc/24/02/97/597240297.db2.gz MOQYNTNPEQECFF-CZUORRHYSA-N 2 2 330.432 1.359 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccccc1C[NH+]1CCOCC1)C2 ZINC000873305326 597251750 /nfs/dbraw/zinc/25/17/50/597251750.db2.gz VQEKKEJDCVSLMD-QFBILLFUSA-N 2 2 344.459 1.592 20 0 EDADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000876711826 597299058 /nfs/dbraw/zinc/29/90/58/597299058.db2.gz GIOBXFBKZIEMHK-QWPQOLDESA-N 2 2 343.471 1.691 20 0 EDADLP C[NH+](C)C[C@H](N)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000876730200 597310978 /nfs/dbraw/zinc/31/09/78/597310978.db2.gz CAFNHLOJILBAAE-INIZCTEOSA-N 2 2 327.432 1.714 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](F)[C@H]3CC[NH2+]C3)CC2)c1 ZINC000876755154 597323681 /nfs/dbraw/zinc/32/36/81/597323681.db2.gz RZFSDBXPFOLRTG-QILLFSRXSA-N 2 2 349.450 1.848 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876886537 597370050 /nfs/dbraw/zinc/37/00/50/597370050.db2.gz YUKDKJVDVHWQFE-NFBGWVBBSA-N 2 2 330.432 1.721 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000875368903 597403382 /nfs/dbraw/zinc/40/33/82/597403382.db2.gz BFNAXYFWYRFNSS-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000875368903 597403384 /nfs/dbraw/zinc/40/33/84/597403384.db2.gz BFNAXYFWYRFNSS-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000875368903 597403387 /nfs/dbraw/zinc/40/33/87/597403387.db2.gz BFNAXYFWYRFNSS-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000875368903 597403388 /nfs/dbraw/zinc/40/33/88/597403388.db2.gz BFNAXYFWYRFNSS-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC(C)(C)[C@H]2CCCCO2)CC1 ZINC000875428963 597425324 /nfs/dbraw/zinc/42/53/24/597425324.db2.gz WQRVWBSQNFRSNC-MRXNPFEDSA-N 2 2 340.512 1.659 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877201685 597460826 /nfs/dbraw/zinc/46/08/26/597460826.db2.gz NDAXTWOMEFYGHL-DZGCQCFKSA-N 2 2 338.452 1.199 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877257931 597482119 /nfs/dbraw/zinc/48/21/19/597482119.db2.gz UOPOIUKJFPZKFM-XLIONFOSSA-N 2 2 346.519 1.669 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccn12 ZINC000877355235 597499802 /nfs/dbraw/zinc/49/98/02/597499802.db2.gz HGDIVXYINYKBGG-RYUDHWBXSA-N 2 2 326.322 1.852 20 0 EDADLP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000877801448 597559004 /nfs/dbraw/zinc/55/90/04/597559004.db2.gz KUUHMRIIVNJFOC-INMHGKMJSA-N 2 2 346.475 1.461 20 0 EDADLP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000877801448 597559005 /nfs/dbraw/zinc/55/90/05/597559005.db2.gz KUUHMRIIVNJFOC-INMHGKMJSA-N 2 2 346.475 1.461 20 0 EDADLP Cc1cccnc1NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000878016402 597569573 /nfs/dbraw/zinc/56/95/73/597569573.db2.gz XDTDNJUENPPGRL-UHFFFAOYSA-N 2 2 346.475 1.763 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881471899 597630308 /nfs/dbraw/zinc/63/03/08/597630308.db2.gz KKDPLZYMHDOIMB-HOCLYGCPSA-N 2 2 332.448 1.205 20 0 EDADLP OC[C@@]1(F)CC[NH+](CC(C[N@H+]2CC[C@](F)(CO)C2)C2CCCC2)C1 ZINC000878567930 597637784 /nfs/dbraw/zinc/63/77/84/597637784.db2.gz DXWSXIHHUUFGQE-QZTJIDSGSA-N 2 2 346.462 1.605 20 0 EDADLP OC[C@@]1(F)CC[NH+](CC(C[N@@H+]2CC[C@](F)(CO)C2)C2CCCC2)C1 ZINC000878567930 597637787 /nfs/dbraw/zinc/63/77/87/597637787.db2.gz DXWSXIHHUUFGQE-QZTJIDSGSA-N 2 2 346.462 1.605 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccnn1C ZINC000879685773 597686249 /nfs/dbraw/zinc/68/62/49/597686249.db2.gz LZVRWSDOQIKFFV-CABCVRRESA-N 2 2 342.447 1.203 20 0 EDADLP COc1cccc(C[NH+]2CCN(CCC[NH+]3CCOCC3)CC2)c1 ZINC000879448787 597921019 /nfs/dbraw/zinc/92/10/19/597921019.db2.gz BOXVDSNUNFENPW-UHFFFAOYSA-N 2 2 333.476 1.535 20 0 EDADLP O[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)COC[C@H]1CCCO1 ZINC000880567524 597966082 /nfs/dbraw/zinc/96/60/82/597966082.db2.gz JODLCDVWMMBDQN-QRVBRYPASA-N 2 2 345.443 1.771 20 0 EDADLP CN1CC(=O)N(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1=O ZINC000880568591 597966547 /nfs/dbraw/zinc/96/65/47/597966547.db2.gz BCEQXOYQLBFSMP-HNNXBMFYSA-N 2 2 327.388 1.108 20 0 EDADLP CS(=O)(=O)N1CC[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000880568673 597966610 /nfs/dbraw/zinc/96/66/10/597966610.db2.gz CHKQAPOSSZUMDP-NVXWUHKLSA-N 2 2 348.472 1.496 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(S(=O)(=O)c3cccc4c3CC[NH+](C)C4)CC[C@@H]21 ZINC000882501187 597979526 /nfs/dbraw/zinc/97/95/26/597979526.db2.gz MJNDEVDMQYCSQX-RDJZCZTQSA-N 2 2 349.500 1.389 20 0 EDADLP C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cccc4c3CC[NH+](C)C4)CC[C@@H]21 ZINC000882501187 597979528 /nfs/dbraw/zinc/97/95/28/597979528.db2.gz MJNDEVDMQYCSQX-RDJZCZTQSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1CC[C@H]2CN(S(=O)(=O)c3cccc4c3CC[N@H+](C)C4)CC[C@@H]21 ZINC000882501187 597979530 /nfs/dbraw/zinc/97/95/30/597979530.db2.gz MJNDEVDMQYCSQX-RDJZCZTQSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1CC[C@H]2CN(S(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)CC[C@@H]21 ZINC000882501187 597979532 /nfs/dbraw/zinc/97/95/32/597979532.db2.gz MJNDEVDMQYCSQX-RDJZCZTQSA-N 2 2 349.500 1.389 20 0 EDADLP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000884193602 598021650 /nfs/dbraw/zinc/02/16/50/598021650.db2.gz KDMOAUBMJHMALB-KRWDZBQOSA-N 2 2 327.428 1.857 20 0 EDADLP COCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000884212162 598031110 /nfs/dbraw/zinc/03/11/10/598031110.db2.gz XOAOIDUDQRXFRS-WMLDXEAASA-N 2 2 335.448 1.264 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)[C@H](C)CO1 ZINC000884401159 598093806 /nfs/dbraw/zinc/09/38/06/598093806.db2.gz GMSAPCMWLDHTQE-CKEIUWERSA-N 2 2 345.443 1.528 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)[C@H](C)CO1 ZINC000884401159 598093810 /nfs/dbraw/zinc/09/38/10/598093810.db2.gz GMSAPCMWLDHTQE-CKEIUWERSA-N 2 2 345.443 1.528 20 0 EDADLP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000992691748 695209327 /nfs/dbraw/zinc/20/93/27/695209327.db2.gz MHUODEQNNLTWPB-DJIMGWMZSA-N 2 2 330.476 1.999 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000914315983 695353114 /nfs/dbraw/zinc/35/31/14/695353114.db2.gz FMFMOPNUYGCRIB-LBPRGKRZSA-N 2 2 325.482 1.488 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000914315983 695353116 /nfs/dbraw/zinc/35/31/16/695353116.db2.gz FMFMOPNUYGCRIB-LBPRGKRZSA-N 2 2 325.482 1.488 20 0 EDADLP CCOc1cccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)n1 ZINC000939856358 699995140 /nfs/dbraw/zinc/99/51/40/699995140.db2.gz LDFPQJRJWHKPPJ-HOCLYGCPSA-N 2 2 343.431 1.314 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnsn3)[C@@H]2C1 ZINC000992830942 695390597 /nfs/dbraw/zinc/39/05/97/695390597.db2.gz HPCNQYRUJVRTSK-NILFDRSVSA-N 2 2 346.460 1.221 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000939858612 699997686 /nfs/dbraw/zinc/99/76/86/699997686.db2.gz ZKHQJALHQLLPIY-ZBFHGGJFSA-N 2 2 344.463 1.471 20 0 EDADLP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@@H]21 ZINC000992837265 695396478 /nfs/dbraw/zinc/39/64/78/695396478.db2.gz PODCGRHJRQHKLS-OKZBNKHCSA-N 2 2 349.519 1.868 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000939855252 699993161 /nfs/dbraw/zinc/99/31/61/699993161.db2.gz CDUBCCABDBECHJ-CXAGYDPISA-N 2 2 346.406 1.151 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992879699 695424021 /nfs/dbraw/zinc/42/40/21/695424021.db2.gz VHCJVZIHWBLFCB-CWRNSKLLSA-N 2 2 343.431 1.666 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001031237059 695940146 /nfs/dbraw/zinc/94/01/46/695940146.db2.gz RAGIPCKHRZIOOL-KRWDZBQOSA-N 2 2 333.480 1.375 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001031237059 695940148 /nfs/dbraw/zinc/94/01/48/695940148.db2.gz RAGIPCKHRZIOOL-KRWDZBQOSA-N 2 2 333.480 1.375 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993352199 696001284 /nfs/dbraw/zinc/00/12/84/696001284.db2.gz PUAYSDDEVHDLEP-HOCLYGCPSA-N 2 2 330.432 1.872 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC000993352199 696001285 /nfs/dbraw/zinc/00/12/85/696001285.db2.gz PUAYSDDEVHDLEP-HOCLYGCPSA-N 2 2 330.432 1.872 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](CCOC3CCCCCC3)C2)C1 ZINC001031260002 696066457 /nfs/dbraw/zinc/06/64/57/696066457.db2.gz IZRUKKJCCWHDQJ-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](CCOC3CCCCCC3)C2)C1 ZINC001031260002 696066460 /nfs/dbraw/zinc/06/64/60/696066460.db2.gz IZRUKKJCCWHDQJ-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001031260250 696066893 /nfs/dbraw/zinc/06/68/93/696066893.db2.gz NSVZHLUKQZPPCO-FZKQIMNGSA-N 2 2 331.435 1.955 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001031260250 696066894 /nfs/dbraw/zinc/06/68/94/696066894.db2.gz NSVZHLUKQZPPCO-FZKQIMNGSA-N 2 2 331.435 1.955 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001031263042 696073964 /nfs/dbraw/zinc/07/39/64/696073964.db2.gz CSMCOBTUMAHWRC-CQSZACIVSA-N 2 2 329.444 1.652 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993610469 696257467 /nfs/dbraw/zinc/25/74/67/696257467.db2.gz FSNBXCDMCCITSQ-XJKSGUPXSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@H]1[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CCC[N@H+]1CC(=O)N(C)C ZINC000993610469 696257468 /nfs/dbraw/zinc/25/74/68/696257468.db2.gz FSNBXCDMCCITSQ-XJKSGUPXSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1Cc1ccnn1C ZINC000993808853 696383976 /nfs/dbraw/zinc/38/39/76/696383976.db2.gz VFMJHSGYVKPESS-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1Cc1ccnn1C ZINC000993808853 696383978 /nfs/dbraw/zinc/38/39/78/696383978.db2.gz VFMJHSGYVKPESS-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1ccnn1C ZINC000993808853 696383981 /nfs/dbraw/zinc/38/39/81/696383981.db2.gz VFMJHSGYVKPESS-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1ccnn1C ZINC000993808853 696383984 /nfs/dbraw/zinc/38/39/84/696383984.db2.gz VFMJHSGYVKPESS-RDJZCZTQSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1nnsc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256063 696658878 /nfs/dbraw/zinc/65/88/78/696658878.db2.gz RIOAOOYBAWBREX-KBPBESRZSA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256063 696658880 /nfs/dbraw/zinc/65/88/80/696658880.db2.gz RIOAOOYBAWBREX-KBPBESRZSA-N 2 2 349.504 1.411 20 0 EDADLP COc1ccnc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)c1 ZINC000994410276 696836457 /nfs/dbraw/zinc/83/64/57/696836457.db2.gz SHGNZSQVJNFVPX-CRAIPNDOSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)c1 ZINC000994410276 696836461 /nfs/dbraw/zinc/83/64/61/696836461.db2.gz SHGNZSQVJNFVPX-CRAIPNDOSA-N 2 2 346.475 1.655 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000994512419 696957187 /nfs/dbraw/zinc/95/71/87/696957187.db2.gz YVFWVEPPCDDETH-TZMCWYRMSA-N 2 2 326.391 1.898 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CC1CC(F)(F)C1 ZINC000994512419 696957189 /nfs/dbraw/zinc/95/71/89/696957189.db2.gz YVFWVEPPCDDETH-TZMCWYRMSA-N 2 2 326.391 1.898 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994513319 696964869 /nfs/dbraw/zinc/96/48/69/696964869.db2.gz ZZALJWJBZGBYEM-GUYCJALGSA-N 2 2 345.447 1.911 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994513319 696964872 /nfs/dbraw/zinc/96/48/72/696964872.db2.gz ZZALJWJBZGBYEM-GUYCJALGSA-N 2 2 345.447 1.911 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000444792704 697155772 /nfs/dbraw/zinc/15/57/72/697155772.db2.gz FHXISFYAIOYBCK-GOEBONIOSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000444792704 697155781 /nfs/dbraw/zinc/15/57/81/697155781.db2.gz FHXISFYAIOYBCK-GOEBONIOSA-N 2 2 332.448 1.379 20 0 EDADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031595866 697296126 /nfs/dbraw/zinc/29/61/26/697296126.db2.gz BORBTRLIUUHJRO-ZWKOTPCHSA-N 2 2 349.450 1.655 20 0 EDADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031595866 697296127 /nfs/dbraw/zinc/29/61/27/697296127.db2.gz BORBTRLIUUHJRO-ZWKOTPCHSA-N 2 2 349.450 1.655 20 0 EDADLP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001031730281 698067485 /nfs/dbraw/zinc/06/74/85/698067485.db2.gz JLULZCDEMHPXLP-QGZVFWFLSA-N 2 2 339.443 1.712 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC000943479577 698384906 /nfs/dbraw/zinc/38/49/06/698384906.db2.gz DAKWFJMUBSHRCD-PBHICJAKSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756440 698464099 /nfs/dbraw/zinc/46/40/99/698464099.db2.gz PNTRACLTJBMCAQ-WKILWMFISA-N 2 2 349.479 1.015 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001060756440 698464102 /nfs/dbraw/zinc/46/41/02/698464102.db2.gz PNTRACLTJBMCAQ-WKILWMFISA-N 2 2 349.479 1.015 20 0 EDADLP Cc1csc(C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)n1 ZINC001031764255 699042042 /nfs/dbraw/zinc/04/20/42/699042042.db2.gz BQVYFXJELGYOLG-UHFFFAOYSA-N 2 2 348.516 1.876 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001031771618 699091838 /nfs/dbraw/zinc/09/18/38/699091838.db2.gz CCIKRWSEOGDTMZ-QGZVFWFLSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001031771618 699091840 /nfs/dbraw/zinc/09/18/40/699091840.db2.gz CCIKRWSEOGDTMZ-QGZVFWFLSA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CCc3cccs3)C2)no1 ZINC001031799297 699324497 /nfs/dbraw/zinc/32/44/97/699324497.db2.gz BYLFDHOVUGMBHY-UHFFFAOYSA-N 2 2 348.472 1.702 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000939210025 699356864 /nfs/dbraw/zinc/35/68/64/699356864.db2.gz KZYLCWHEDABERJ-KSSFIOAISA-N 2 2 341.459 1.655 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000939211421 699359491 /nfs/dbraw/zinc/35/94/91/699359491.db2.gz RNSSXBQEENRLOK-JQWIXIFHSA-N 2 2 338.362 1.181 20 0 EDADLP Cc1ccc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cc1 ZINC000939214539 699385708 /nfs/dbraw/zinc/38/57/08/699385708.db2.gz LSCCBHVKBGRFST-YJBOKZPZSA-N 2 2 326.444 1.940 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000995162482 701590961 /nfs/dbraw/zinc/59/09/61/701590961.db2.gz SUFLWXJBRIJDTA-STQMWFEESA-N 2 2 333.461 1.494 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)on1 ZINC000995163390 701595436 /nfs/dbraw/zinc/59/54/36/701595436.db2.gz WGXWDPWVVAQQLF-CHWSQXEVSA-N 2 2 347.419 1.034 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939400392 699549446 /nfs/dbraw/zinc/54/94/46/699549446.db2.gz MXQPNWOMXWZFGP-ABAIWWIYSA-N 2 2 334.370 1.867 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1 ZINC000939408112 699562551 /nfs/dbraw/zinc/56/25/51/699562551.db2.gz MFDZJLJWEVGKST-XJKSGUPXSA-N 2 2 328.416 1.598 20 0 EDADLP COCc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)c1 ZINC000939409913 699564169 /nfs/dbraw/zinc/56/41/69/699564169.db2.gz XHCAFTNOHVZCOA-PBHICJAKSA-N 2 2 342.443 1.735 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163992 701599196 /nfs/dbraw/zinc/59/91/96/701599196.db2.gz YHYVJFREJOYLPZ-CHWSQXEVSA-N 2 2 348.476 1.197 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)on1 ZINC000939533950 699672002 /nfs/dbraw/zinc/67/20/02/699672002.db2.gz GYYDBQPDBSOKMG-FZMZJTMJSA-N 2 2 331.420 1.620 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939539370 699679997 /nfs/dbraw/zinc/67/99/97/699679997.db2.gz CGUKDDBBNONUBG-YPMHNXCESA-N 2 2 331.420 1.620 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC000069574351 699712510 /nfs/dbraw/zinc/71/25/10/699712510.db2.gz XKEHVAAAEAVRFW-MRXNPFEDSA-N 2 2 335.496 1.362 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC000939624615 699762249 /nfs/dbraw/zinc/76/22/49/699762249.db2.gz YADXEQFPPCSWQD-SGTLLEGYSA-N 2 2 341.459 1.909 20 0 EDADLP CCc1nocc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939641228 699770691 /nfs/dbraw/zinc/77/06/91/699770691.db2.gz CZBKFOUBLSXLQW-DYVFJYSZSA-N 2 2 345.447 1.540 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)n1 ZINC000939642951 699774557 /nfs/dbraw/zinc/77/45/57/699774557.db2.gz NRPBSCUTFJLZNS-IUODEOHRSA-N 2 2 347.488 1.754 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC000939746945 699912298 /nfs/dbraw/zinc/91/22/98/699912298.db2.gz JFZUNAHQZMTIPI-OCCSQVGLSA-N 2 2 346.435 1.164 20 0 EDADLP C[C@@H](c1cnccn1)[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031850408 699941513 /nfs/dbraw/zinc/94/15/13/699941513.db2.gz YVSQVORSTOBXIY-ZDUSSCGKSA-N 2 2 336.399 1.547 20 0 EDADLP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000940150583 700300388 /nfs/dbraw/zinc/30/03/88/700300388.db2.gz YFWRVBFLTNRQKK-CQSZACIVSA-N 2 2 344.419 1.314 20 0 EDADLP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000940183609 700340524 /nfs/dbraw/zinc/34/05/24/700340524.db2.gz UAIFSLQMHLPTTL-HOTGVXAUSA-N 2 2 346.475 1.453 20 0 EDADLP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000940183952 700340963 /nfs/dbraw/zinc/34/09/63/700340963.db2.gz WCOPAGHPEBIMRO-CQSZACIVSA-N 2 2 343.431 1.604 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC000940243482 700404685 /nfs/dbraw/zinc/40/46/85/700404685.db2.gz RLDFOYKIYOPUQC-CVEARBPZSA-N 2 2 334.464 1.811 20 0 EDADLP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940356577 700518537 /nfs/dbraw/zinc/51/85/37/700518537.db2.gz UCJRAICMFXIZQF-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP C[C@H](CC(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000940357853 700539323 /nfs/dbraw/zinc/53/93/23/700539323.db2.gz MMVPWVFTPKIBCO-HZPDHXFCSA-N 2 2 334.464 1.841 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)ncn1 ZINC000940392479 700569162 /nfs/dbraw/zinc/56/91/62/700569162.db2.gz BUZBJZHMGWVUDQ-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2nccnc2C)CC1 ZINC000940441731 700643235 /nfs/dbraw/zinc/64/32/35/700643235.db2.gz RBXKQLMIXYEIFH-UHFFFAOYSA-N 2 2 342.447 1.530 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621534 700782857 /nfs/dbraw/zinc/78/28/57/700782857.db2.gz SWQGEBCOKOFLSD-HUUCEWRRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621534 700782858 /nfs/dbraw/zinc/78/28/58/700782858.db2.gz SWQGEBCOKOFLSD-HUUCEWRRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621534 700782861 /nfs/dbraw/zinc/78/28/61/700782861.db2.gz SWQGEBCOKOFLSD-HUUCEWRRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621534 700782863 /nfs/dbraw/zinc/78/28/63/700782863.db2.gz SWQGEBCOKOFLSD-HUUCEWRRSA-N 2 2 335.452 1.189 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000940850818 700951696 /nfs/dbraw/zinc/95/16/96/700951696.db2.gz NVWIKIGXOWWUMC-GJZGRUSLSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000940850818 700951697 /nfs/dbraw/zinc/95/16/97/700951697.db2.gz NVWIKIGXOWWUMC-GJZGRUSLSA-N 2 2 334.464 1.045 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)s1 ZINC000995109877 700973619 /nfs/dbraw/zinc/97/36/19/700973619.db2.gz XPLJNVAURIUQTF-QWHCGFSZSA-N 2 2 333.461 1.792 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)CC[N@@H+]1C ZINC001031921580 701063522 /nfs/dbraw/zinc/06/35/22/701063522.db2.gz VAXYGJODXPAGTA-BBRMVZONSA-N 2 2 334.439 1.499 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)CC[N@H+]1C ZINC001031921580 701063523 /nfs/dbraw/zinc/06/35/23/701063523.db2.gz VAXYGJODXPAGTA-BBRMVZONSA-N 2 2 334.439 1.499 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccn(C)n2)CC1(C)C ZINC000941033837 701076578 /nfs/dbraw/zinc/07/65/78/701076578.db2.gz WFYCZVCSKRSGFP-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccn(C)n2)CC1(C)C ZINC000941033837 701076581 /nfs/dbraw/zinc/07/65/81/701076581.db2.gz WFYCZVCSKRSGFP-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)CC1(C)C ZINC000941033837 701076584 /nfs/dbraw/zinc/07/65/84/701076584.db2.gz WFYCZVCSKRSGFP-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)CC1(C)C ZINC000941033837 701076588 /nfs/dbraw/zinc/07/65/88/701076588.db2.gz WFYCZVCSKRSGFP-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP CC1(C)C[N@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061959 701109263 /nfs/dbraw/zinc/10/92/63/701109263.db2.gz SVUHTUKPABGURN-OAHLLOKOSA-N 2 2 347.488 1.868 20 0 EDADLP CC1(C)C[N@@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061959 701109264 /nfs/dbraw/zinc/10/92/64/701109264.db2.gz SVUHTUKPABGURN-OAHLLOKOSA-N 2 2 347.488 1.868 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cn1 ZINC000945807445 701197994 /nfs/dbraw/zinc/19/79/94/701197994.db2.gz JQBNAKXUOZYPKV-XJKSGUPXSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cn1 ZINC000945807445 701197998 /nfs/dbraw/zinc/19/79/98/701197998.db2.gz JQBNAKXUOZYPKV-XJKSGUPXSA-N 2 2 328.420 1.008 20 0 EDADLP CCn1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)nn1 ZINC000941215041 701401334 /nfs/dbraw/zinc/40/13/34/701401334.db2.gz KERNAEOIVPVLKO-INIZCTEOSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)nn1 ZINC000941215041 701401336 /nfs/dbraw/zinc/40/13/36/701401336.db2.gz KERNAEOIVPVLKO-INIZCTEOSA-N 2 2 348.495 1.111 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217621 701404120 /nfs/dbraw/zinc/40/41/20/701404120.db2.gz QXBIDZYJAYXHTL-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941217621 701404121 /nfs/dbraw/zinc/40/41/21/701404121.db2.gz QXBIDZYJAYXHTL-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941217621 701404122 /nfs/dbraw/zinc/40/41/22/701404122.db2.gz QXBIDZYJAYXHTL-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941217621 701404123 /nfs/dbraw/zinc/40/41/23/701404123.db2.gz QXBIDZYJAYXHTL-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941221558 701412350 /nfs/dbraw/zinc/41/23/50/701412350.db2.gz XFBBQYBOOYJMHB-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941221558 701412351 /nfs/dbraw/zinc/41/23/51/701412351.db2.gz XFBBQYBOOYJMHB-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941221558 701412352 /nfs/dbraw/zinc/41/23/52/701412352.db2.gz XFBBQYBOOYJMHB-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941221558 701412353 /nfs/dbraw/zinc/41/23/53/701412353.db2.gz XFBBQYBOOYJMHB-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1)C1CCC1 ZINC000941247713 701424539 /nfs/dbraw/zinc/42/45/39/701424539.db2.gz PZDMRDHNUIFWEA-IRXDYDNUSA-N 2 2 348.491 1.915 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1)C1CCC1 ZINC000941247713 701424541 /nfs/dbraw/zinc/42/45/41/701424541.db2.gz PZDMRDHNUIFWEA-IRXDYDNUSA-N 2 2 348.491 1.915 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)sn1 ZINC000995150384 701548258 /nfs/dbraw/zinc/54/82/58/701548258.db2.gz DNFXUTRITUXVJK-NEPJUHHUSA-N 2 2 349.460 1.492 20 0 EDADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1)n1cc[nH+]c1 ZINC001032656451 706615629 /nfs/dbraw/zinc/61/56/29/706615629.db2.gz DKWUVJOBJVGRGM-PVAVHDDUSA-N 2 2 332.448 1.546 20 0 EDADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1)n1cc[nH+]c1 ZINC001032656451 706615632 /nfs/dbraw/zinc/61/56/32/706615632.db2.gz DKWUVJOBJVGRGM-PVAVHDDUSA-N 2 2 332.448 1.546 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccnc(Cl)c2)C1)C12CC[NH+](CC1)C2 ZINC001032130336 701841162 /nfs/dbraw/zinc/84/11/62/701841162.db2.gz LUKBADQJRGAXGT-UHFFFAOYSA-N 2 2 334.851 1.379 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000944447061 702038999 /nfs/dbraw/zinc/03/89/99/702038999.db2.gz XDLQIOMZDKDLMD-PBHICJAKSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cncc(C)c2)C[C@H]1C ZINC000944447061 702039003 /nfs/dbraw/zinc/03/90/03/702039003.db2.gz XDLQIOMZDKDLMD-PBHICJAKSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cnccc2C)C[C@H]1C ZINC000944447440 702041166 /nfs/dbraw/zinc/04/11/66/702041166.db2.gz ZODMHFASBYDGOC-PBHICJAKSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cnccc2C)C[C@H]1C ZINC000944447440 702041172 /nfs/dbraw/zinc/04/11/72/702041172.db2.gz ZODMHFASBYDGOC-PBHICJAKSA-N 2 2 341.459 1.991 20 0 EDADLP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000995895056 702198395 /nfs/dbraw/zinc/19/83/95/702198395.db2.gz UUUXRHRLYQTPSK-OAHLLOKOSA-N 2 2 330.436 1.103 20 0 EDADLP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000995895056 702198401 /nfs/dbraw/zinc/19/84/01/702198401.db2.gz UUUXRHRLYQTPSK-OAHLLOKOSA-N 2 2 330.436 1.103 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)cn1 ZINC000995891495 702235276 /nfs/dbraw/zinc/23/52/76/702235276.db2.gz LNNPTEKMCNCQQW-INIZCTEOSA-N 2 2 342.447 1.468 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccnc2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097090 702261337 /nfs/dbraw/zinc/26/13/37/702261337.db2.gz DATRRUSUZSBMLF-PBHICJAKSA-N 2 2 327.432 1.384 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944097090 702261342 /nfs/dbraw/zinc/26/13/42/702261342.db2.gz DATRRUSUZSBMLF-PBHICJAKSA-N 2 2 327.432 1.384 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)on1 ZINC000944097763 702264356 /nfs/dbraw/zinc/26/43/56/702264356.db2.gz KQWCDSUWHDWFBR-LRDDRELGSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)on1 ZINC000944097763 702264361 /nfs/dbraw/zinc/26/43/61/702264361.db2.gz KQWCDSUWHDWFBR-LRDDRELGSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944098010 702265472 /nfs/dbraw/zinc/26/54/72/702265472.db2.gz MAYDXKFQBYYFAL-WFASDCNBSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944098010 702265476 /nfs/dbraw/zinc/26/54/76/702265476.db2.gz MAYDXKFQBYYFAL-WFASDCNBSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)o1 ZINC000944099714 702269761 /nfs/dbraw/zinc/26/97/61/702269761.db2.gz SABWUDPNVMXIHA-BLLLJJGKSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)o1 ZINC000944099714 702269767 /nfs/dbraw/zinc/26/97/67/702269767.db2.gz SABWUDPNVMXIHA-BLLLJJGKSA-N 2 2 331.420 1.286 20 0 EDADLP C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C)[NH+]1CCCCCC1 ZINC001032664733 706659408 /nfs/dbraw/zinc/65/94/08/706659408.db2.gz PIKJIEQYCGZNJC-IKGGRYGDSA-N 2 2 345.491 1.470 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995981831 702340806 /nfs/dbraw/zinc/34/08/06/702340806.db2.gz NXGXFWGYCRNGQL-KGLIPLIRSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995981831 702340812 /nfs/dbraw/zinc/34/08/12/702340812.db2.gz NXGXFWGYCRNGQL-KGLIPLIRSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)o1 ZINC000996041199 702456808 /nfs/dbraw/zinc/45/68/08/702456808.db2.gz DPTSLGWMZSFYFL-HNNXBMFYSA-N 2 2 345.447 1.769 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1[NH2+]CC1CC1 ZINC000996093069 702505467 /nfs/dbraw/zinc/50/54/67/702505467.db2.gz RYEFOFHKPMIFCO-ROUUACIJSA-N 2 2 349.519 1.724 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1[NH2+]CC1CC1 ZINC000996093069 702505474 /nfs/dbraw/zinc/50/54/74/702505474.db2.gz RYEFOFHKPMIFCO-ROUUACIJSA-N 2 2 349.519 1.724 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996293050 702685468 /nfs/dbraw/zinc/68/54/68/702685468.db2.gz AUQGCWWGPSRAAX-TZMCWYRMSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996293050 702685469 /nfs/dbraw/zinc/68/54/69/702685469.db2.gz AUQGCWWGPSRAAX-TZMCWYRMSA-N 2 2 335.452 1.046 20 0 EDADLP C[C@@H]1C[N@H+](C/C=C\Cl)CC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942210046 702715995 /nfs/dbraw/zinc/71/59/95/702715995.db2.gz XMQLEOKFGSTQKP-LJXYTEIVSA-N 2 2 340.855 1.929 20 0 EDADLP C[C@@H]1C[N@@H+](C/C=C\Cl)CC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000942210046 702715996 /nfs/dbraw/zinc/71/59/96/702715996.db2.gz XMQLEOKFGSTQKP-LJXYTEIVSA-N 2 2 340.855 1.929 20 0 EDADLP CCC[NH2+][C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1(C)C ZINC000996373133 702740363 /nfs/dbraw/zinc/74/03/63/702740363.db2.gz DHBAXGAWXYEDPV-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996608177 702911657 /nfs/dbraw/zinc/91/16/57/702911657.db2.gz BVPSAXONZJVHOP-RISCZKNCSA-N 2 2 346.435 1.471 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)[nH]2)C(C)(C)C1 ZINC000996672320 702973412 /nfs/dbraw/zinc/97/34/12/702973412.db2.gz DZYGQMZAFHHUHE-LSDHHAIUSA-N 2 2 348.495 1.314 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)[nH]2)C(C)(C)C1 ZINC000996672320 702973414 /nfs/dbraw/zinc/97/34/14/702973414.db2.gz DZYGQMZAFHHUHE-LSDHHAIUSA-N 2 2 348.495 1.314 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942517680 703011058 /nfs/dbraw/zinc/01/10/58/703011058.db2.gz DRUWHYGUGPIGQE-GUYCJALGSA-N 2 2 339.399 1.963 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942517680 703011060 /nfs/dbraw/zinc/01/10/60/703011060.db2.gz DRUWHYGUGPIGQE-GUYCJALGSA-N 2 2 339.399 1.963 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000996719117 703013046 /nfs/dbraw/zinc/01/30/46/703013046.db2.gz XRRFCAUHYNBQJV-PBHICJAKSA-N 2 2 347.459 1.781 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000996717251 703015963 /nfs/dbraw/zinc/01/59/63/703015963.db2.gz SILZGGLYHISABO-MRXNPFEDSA-N 2 2 334.464 1.526 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996736520 703032898 /nfs/dbraw/zinc/03/28/98/703032898.db2.gz FTUOIPXCEMQHDK-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP CCn1ccc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000996858293 703142546 /nfs/dbraw/zinc/14/25/46/703142546.db2.gz GCTQWQDEUQNWTN-UHFFFAOYSA-N 2 2 330.436 1.270 20 0 EDADLP Cc1cccnc1C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996860640 703143910 /nfs/dbraw/zinc/14/39/10/703143910.db2.gz SXDBMECPCIRYLF-UHFFFAOYSA-N 2 2 327.432 1.757 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1)c1ncccn1 ZINC000996861448 703144416 /nfs/dbraw/zinc/14/44/16/703144416.db2.gz WLVSCFIMHFMKBI-AWEZNQCLSA-N 2 2 328.420 1.405 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996866197 703147807 /nfs/dbraw/zinc/14/78/07/703147807.db2.gz XISYVOISPFKYAN-OCCSQVGLSA-N 2 2 344.381 1.599 20 0 EDADLP Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996991206 703244110 /nfs/dbraw/zinc/24/41/10/703244110.db2.gz QRIJGGFWYCPXMM-CQSZACIVSA-N 2 2 343.431 1.907 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1)n1cc[nH+]c1 ZINC000997046988 703295850 /nfs/dbraw/zinc/29/58/50/703295850.db2.gz SWISZFFKGPDLDX-HNNXBMFYSA-N 2 2 344.463 1.391 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1)n1cc[nH+]c1 ZINC000997049994 703298406 /nfs/dbraw/zinc/29/84/06/703298406.db2.gz NMRPLWVQUXYJPL-HNNXBMFYSA-N 2 2 347.463 1.037 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1)n1cc[nH+]c1 ZINC000997047469 703301091 /nfs/dbraw/zinc/30/10/91/703301091.db2.gz YJZTVWXLBKFTCI-ZIAGYGMSSA-N 2 2 345.451 1.305 20 0 EDADLP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997083735 703321913 /nfs/dbraw/zinc/32/19/13/703321913.db2.gz IPLLARUNHSBAGG-CYBMUJFWSA-N 2 2 345.447 1.920 20 0 EDADLP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997083735 703321914 /nfs/dbraw/zinc/32/19/14/703321914.db2.gz IPLLARUNHSBAGG-CYBMUJFWSA-N 2 2 345.447 1.920 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997121620 703378914 /nfs/dbraw/zinc/37/89/14/703378914.db2.gz ZJZHVNVAUXEHLX-UHFFFAOYSA-N 2 2 328.416 1.225 20 0 EDADLP CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1)OC ZINC001032402608 703420459 /nfs/dbraw/zinc/42/04/59/703420459.db2.gz FBHIVSJOQJQKGH-YESZJQIVSA-N 2 2 342.443 1.966 20 0 EDADLP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)c[nH+]c2c1)OC ZINC001032402608 703420460 /nfs/dbraw/zinc/42/04/60/703420460.db2.gz FBHIVSJOQJQKGH-YESZJQIVSA-N 2 2 342.443 1.966 20 0 EDADLP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC[NH+](Cc2cnon2)CC1 ZINC000997202555 703483928 /nfs/dbraw/zinc/48/39/28/703483928.db2.gz IGVXALKAVDYWGV-CQSZACIVSA-N 2 2 347.463 1.415 20 0 EDADLP CCc1nnc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)s1 ZINC000997220398 703498415 /nfs/dbraw/zinc/49/84/15/703498415.db2.gz ANVORFKHBCGONX-UHFFFAOYSA-N 2 2 348.476 1.455 20 0 EDADLP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001060823099 703547355 /nfs/dbraw/zinc/54/73/55/703547355.db2.gz JFTMIEHZUHZGQD-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001060823099 703547356 /nfs/dbraw/zinc/54/73/56/703547356.db2.gz JFTMIEHZUHZGQD-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703400 706752988 /nfs/dbraw/zinc/75/29/88/706752988.db2.gz TYHFTVICJDIPPG-COXVUDFISA-N 2 2 341.415 1.201 20 0 EDADLP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703400 706752989 /nfs/dbraw/zinc/75/29/89/706752989.db2.gz TYHFTVICJDIPPG-COXVUDFISA-N 2 2 341.415 1.201 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2cccs2)O1 ZINC001032473135 703688031 /nfs/dbraw/zinc/68/80/31/703688031.db2.gz CQURQJDXFVOKLV-WBTNSWJXSA-N 2 2 349.500 1.295 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2cccs2)O1 ZINC001032473135 703688032 /nfs/dbraw/zinc/68/80/32/703688032.db2.gz CQURQJDXFVOKLV-WBTNSWJXSA-N 2 2 349.500 1.295 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2cccs2)O1 ZINC001032473135 703688033 /nfs/dbraw/zinc/68/80/33/703688033.db2.gz CQURQJDXFVOKLV-WBTNSWJXSA-N 2 2 349.500 1.295 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2cccs2)O1 ZINC001032473135 703688034 /nfs/dbraw/zinc/68/80/34/703688034.db2.gz CQURQJDXFVOKLV-WBTNSWJXSA-N 2 2 349.500 1.295 20 0 EDADLP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001032479619 703713798 /nfs/dbraw/zinc/71/37/98/703713798.db2.gz PQJKXEHMECAIHM-OKZBNKHCSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001032479619 703713800 /nfs/dbraw/zinc/71/38/00/703713800.db2.gz PQJKXEHMECAIHM-OKZBNKHCSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001032479619 703713801 /nfs/dbraw/zinc/71/38/01/703713801.db2.gz PQJKXEHMECAIHM-OKZBNKHCSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001032479619 703713803 /nfs/dbraw/zinc/71/38/03/703713803.db2.gz PQJKXEHMECAIHM-OKZBNKHCSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001032479115 703714241 /nfs/dbraw/zinc/71/42/41/703714241.db2.gz FKPSYHIFAMESFI-BZSNNMDCSA-N 2 2 345.491 1.269 20 0 EDADLP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001032479115 703714242 /nfs/dbraw/zinc/71/42/42/703714242.db2.gz FKPSYHIFAMESFI-BZSNNMDCSA-N 2 2 345.491 1.269 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[NH+]2C)n1 ZINC001032479115 703714243 /nfs/dbraw/zinc/71/42/43/703714243.db2.gz FKPSYHIFAMESFI-BZSNNMDCSA-N 2 2 345.491 1.269 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[NH+]2C)n1 ZINC001032479115 703714244 /nfs/dbraw/zinc/71/42/44/703714244.db2.gz FKPSYHIFAMESFI-BZSNNMDCSA-N 2 2 345.491 1.269 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032485069 703741102 /nfs/dbraw/zinc/74/11/02/703741102.db2.gz YKTBKSINZCGXOG-ULQDDVLXSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032485069 703741103 /nfs/dbraw/zinc/74/11/03/703741103.db2.gz YKTBKSINZCGXOG-ULQDDVLXSA-N 2 2 328.460 1.921 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC000997556447 703828622 /nfs/dbraw/zinc/82/86/22/703828622.db2.gz KFJJXWDGUJZUOJ-HNNXBMFYSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1cc(C)c(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC000997556447 703828625 /nfs/dbraw/zinc/82/86/25/703828625.db2.gz KFJJXWDGUJZUOJ-HNNXBMFYSA-N 2 2 344.459 1.289 20 0 EDADLP CCCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000997605083 703901555 /nfs/dbraw/zinc/90/15/55/703901555.db2.gz CUCPEPVADBKIMZ-OAHLLOKOSA-N 2 2 349.479 1.445 20 0 EDADLP CCCc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000997605083 703901557 /nfs/dbraw/zinc/90/15/57/703901557.db2.gz CUCPEPVADBKIMZ-OAHLLOKOSA-N 2 2 349.479 1.445 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001004210664 703957497 /nfs/dbraw/zinc/95/74/97/703957497.db2.gz YOFBHOJJFNROOP-MRXNPFEDSA-N 2 2 331.464 1.432 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001004210664 703957501 /nfs/dbraw/zinc/95/75/01/703957501.db2.gz YOFBHOJJFNROOP-MRXNPFEDSA-N 2 2 331.464 1.432 20 0 EDADLP COc1cccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001004257953 704086056 /nfs/dbraw/zinc/08/60/56/704086056.db2.gz OLLVAKXBVYDKIF-UHFFFAOYSA-N 2 2 329.404 1.068 20 0 EDADLP C[C@H]([NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1)c1csnn1 ZINC000997732201 704623729 /nfs/dbraw/zinc/62/37/29/704623729.db2.gz DIPXBWFTJGMTNP-LBPRGKRZSA-N 2 2 348.476 1.783 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1CC[NH+](CCCO)CC1 ZINC000997748828 704648393 /nfs/dbraw/zinc/64/83/93/704648393.db2.gz PAZYWXRYLQXZQK-DZGCQCFKSA-N 2 2 334.464 1.429 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1nccs1 ZINC000947936668 704668943 /nfs/dbraw/zinc/66/89/43/704668943.db2.gz XPCHLGFVUKOLAL-KGLIPLIRSA-N 2 2 334.489 1.708 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1nccs1 ZINC000947936668 704668945 /nfs/dbraw/zinc/66/89/45/704668945.db2.gz XPCHLGFVUKOLAL-KGLIPLIRSA-N 2 2 334.489 1.708 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)nn1C ZINC000997953073 705081185 /nfs/dbraw/zinc/08/11/85/705081185.db2.gz RCTOJLOTYWSPCQ-UHFFFAOYSA-N 2 2 344.463 1.344 20 0 EDADLP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2noc(C3CC3)n2)CC1)[NH+](C)C ZINC000998086260 705319059 /nfs/dbraw/zinc/31/90/59/705319059.db2.gz OWIDTPLJEWPQNZ-HNNXBMFYSA-N 2 2 349.479 1.615 20 0 EDADLP CC(C)n1ncnc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000998117125 705372845 /nfs/dbraw/zinc/37/28/45/705372845.db2.gz XYIXUSZSPUNZTE-UHFFFAOYSA-N 2 2 345.451 1.153 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998138908 705404947 /nfs/dbraw/zinc/40/49/47/705404947.db2.gz MUUBWVUZFVDBMC-QAPCUYQASA-N 2 2 348.491 1.986 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998138908 705404951 /nfs/dbraw/zinc/40/49/51/705404951.db2.gz MUUBWVUZFVDBMC-QAPCUYQASA-N 2 2 348.491 1.986 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998221044 705545968 /nfs/dbraw/zinc/54/59/68/705545968.db2.gz AHNSUFOQOPAVDN-QGZVFWFLSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]Cc2nccc(C)n2)CC1 ZINC000998244843 705591300 /nfs/dbraw/zinc/59/13/00/705591300.db2.gz OZDFURJSQSVURV-UHFFFAOYSA-N 2 2 342.447 1.387 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]Cc2cccc(Cl)n2)CC1 ZINC000998298444 705701923 /nfs/dbraw/zinc/70/19/23/705701923.db2.gz YISXPTGXBTYVRN-UHFFFAOYSA-N 2 2 347.850 1.960 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]Cc2cncs2)C1 ZINC000999007192 706426895 /nfs/dbraw/zinc/42/68/95/706426895.db2.gz LGMVDKCAUUJCAC-IYXRBSQSSA-N 2 2 345.472 1.681 20 0 EDADLP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999005338 706445611 /nfs/dbraw/zinc/44/56/11/706445611.db2.gz QMYOMXUYFPIPDM-JEYLPNPQSA-N 2 2 343.431 1.521 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999324248 706834654 /nfs/dbraw/zinc/83/46/54/706834654.db2.gz VLKYKOCGYQOILM-MSOLQXFVSA-N 2 2 348.491 1.864 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999324248 706834657 /nfs/dbraw/zinc/83/46/57/706834657.db2.gz VLKYKOCGYQOILM-MSOLQXFVSA-N 2 2 348.491 1.864 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2nncs2)C1 ZINC000999374959 706869297 /nfs/dbraw/zinc/86/92/97/706869297.db2.gz SOVBYFOBIFRXHV-QWHCGFSZSA-N 2 2 346.460 1.393 20 0 EDADLP Cn1nccc1CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999413106 706922560 /nfs/dbraw/zinc/92/25/60/706922560.db2.gz QBKPDTBSRGYAJT-NUEKZKHPSA-N 2 2 342.447 1.070 20 0 EDADLP Cn1nccc1CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000999413106 706922561 /nfs/dbraw/zinc/92/25/61/706922561.db2.gz QBKPDTBSRGYAJT-NUEKZKHPSA-N 2 2 342.447 1.070 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000999414454 706923942 /nfs/dbraw/zinc/92/39/42/706923942.db2.gz WHSLKEQKAQHNDZ-BRWVUGGUSA-N 2 2 346.475 1.911 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000999414454 706923944 /nfs/dbraw/zinc/92/39/44/706923944.db2.gz WHSLKEQKAQHNDZ-BRWVUGGUSA-N 2 2 346.475 1.911 20 0 EDADLP Cc1cc(NC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001060879541 706985478 /nfs/dbraw/zinc/98/54/78/706985478.db2.gz HQQIHQFYHITUFP-HOCLYGCPSA-N 2 2 343.475 1.875 20 0 EDADLP Cc1cc(NC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001060879541 706985480 /nfs/dbraw/zinc/98/54/80/706985480.db2.gz HQQIHQFYHITUFP-HOCLYGCPSA-N 2 2 343.475 1.875 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC000999509895 707007554 /nfs/dbraw/zinc/00/75/54/707007554.db2.gz LEAQFTUQTVLRNR-KBPBESRZSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC000999509895 707007558 /nfs/dbraw/zinc/00/75/58/707007558.db2.gz LEAQFTUQTVLRNR-KBPBESRZSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999515158 707014587 /nfs/dbraw/zinc/01/45/87/707014587.db2.gz YDLPRVWEGCCFFH-UONOGXRCSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999515158 707014588 /nfs/dbraw/zinc/01/45/88/707014588.db2.gz YDLPRVWEGCCFFH-UONOGXRCSA-N 2 2 335.452 1.197 20 0 EDADLP CCn1nncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005013009 707116473 /nfs/dbraw/zinc/11/64/73/707116473.db2.gz YKFAWROCYOZFFQ-GOEBONIOSA-N 2 2 345.451 1.054 20 0 EDADLP CCc1nocc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005013314 707117605 /nfs/dbraw/zinc/11/76/05/707117605.db2.gz YWXIDAAGDFBZCH-WMLDXEAASA-N 2 2 345.447 1.993 20 0 EDADLP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999616011 707135323 /nfs/dbraw/zinc/13/53/23/707135323.db2.gz UEMNDXUURRRKAR-CYBMUJFWSA-N 2 2 326.360 1.112 20 0 EDADLP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000999686970 707239647 /nfs/dbraw/zinc/23/96/47/707239647.db2.gz CICVTLBTNHWPMH-UHFFFAOYSA-N 2 2 344.463 1.001 20 0 EDADLP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033274120 707324145 /nfs/dbraw/zinc/32/41/45/707324145.db2.gz WZMZORLRVTWOIF-INIZCTEOSA-N 2 2 338.415 1.414 20 0 EDADLP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033274120 707324150 /nfs/dbraw/zinc/32/41/50/707324150.db2.gz WZMZORLRVTWOIF-INIZCTEOSA-N 2 2 338.415 1.414 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000999776950 707337719 /nfs/dbraw/zinc/33/77/19/707337719.db2.gz QLZUUOBZMMOCFO-HOTGVXAUSA-N 2 2 334.464 1.502 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033296867 707409683 /nfs/dbraw/zinc/40/96/83/707409683.db2.gz CPYXCFZQXQMJQK-RBUKOAKNSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033296867 707409686 /nfs/dbraw/zinc/40/96/86/707409686.db2.gz CPYXCFZQXQMJQK-RBUKOAKNSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033296867 707409690 /nfs/dbraw/zinc/40/96/90/707409690.db2.gz CPYXCFZQXQMJQK-RBUKOAKNSA-N 2 2 349.519 1.820 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033296867 707409694 /nfs/dbraw/zinc/40/96/94/707409694.db2.gz CPYXCFZQXQMJQK-RBUKOAKNSA-N 2 2 349.519 1.820 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999840299 707412521 /nfs/dbraw/zinc/41/25/21/707412521.db2.gz CVSZUQJFBRJMQA-HNNXBMFYSA-N 2 2 343.431 1.919 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318682 707513560 /nfs/dbraw/zinc/51/35/60/707513560.db2.gz LDRWKSBZXQWWKP-HOTGVXAUSA-N 2 2 345.491 1.945 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033318682 707513563 /nfs/dbraw/zinc/51/35/63/707513563.db2.gz LDRWKSBZXQWWKP-HOTGVXAUSA-N 2 2 345.491 1.945 20 0 EDADLP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)c1C ZINC000999916219 707558058 /nfs/dbraw/zinc/55/80/58/707558058.db2.gz OVJKPSKTIJKIND-UHFFFAOYSA-N 2 2 342.443 1.979 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000999916083 707558317 /nfs/dbraw/zinc/55/83/17/707558317.db2.gz NTQWCYFINJHHEQ-UHFFFAOYSA-N 2 2 339.852 1.772 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1nncs1 ZINC001004904836 707599068 /nfs/dbraw/zinc/59/90/68/707599068.db2.gz ZSRLASLTACLZCA-ZIAGYGMSSA-N 2 2 348.476 1.602 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730767 707730338 /nfs/dbraw/zinc/73/03/38/707730338.db2.gz PGQLDJXSNIWGJH-PMPSAXMXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032730767 707730341 /nfs/dbraw/zinc/73/03/41/707730341.db2.gz PGQLDJXSNIWGJH-PMPSAXMXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032730767 707730344 /nfs/dbraw/zinc/73/03/44/707730344.db2.gz PGQLDJXSNIWGJH-PMPSAXMXSA-N 2 2 346.475 1.672 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032730767 707730348 /nfs/dbraw/zinc/73/03/48/707730348.db2.gz PGQLDJXSNIWGJH-PMPSAXMXSA-N 2 2 346.475 1.672 20 0 EDADLP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC001004951538 707731634 /nfs/dbraw/zinc/73/16/34/707731634.db2.gz FETSZNRTULNQIV-DYVFJYSZSA-N 2 2 342.447 1.610 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCO1)c1c[nH+]c[nH]1 ZINC001032731439 707732994 /nfs/dbraw/zinc/73/29/94/707732994.db2.gz FQRNXKVUSWQUSS-SOUVJXGZSA-N 2 2 332.448 1.542 20 0 EDADLP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCO1)c1c[nH+]c[nH]1 ZINC001032731439 707732999 /nfs/dbraw/zinc/73/29/99/707732999.db2.gz FQRNXKVUSWQUSS-SOUVJXGZSA-N 2 2 332.448 1.542 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033416057 707793819 /nfs/dbraw/zinc/79/38/19/707793819.db2.gz MUKRIMGSZLXLCU-RHSMWYFYSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033416057 707793823 /nfs/dbraw/zinc/79/38/23/707793823.db2.gz MUKRIMGSZLXLCU-RHSMWYFYSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033416057 707793827 /nfs/dbraw/zinc/79/38/27/707793827.db2.gz MUKRIMGSZLXLCU-RHSMWYFYSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033416057 707793832 /nfs/dbraw/zinc/79/38/32/707793832.db2.gz MUKRIMGSZLXLCU-RHSMWYFYSA-N 2 2 334.439 1.738 20 0 EDADLP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004972743 707799280 /nfs/dbraw/zinc/79/92/80/707799280.db2.gz AJLPDJFZVFMHIW-WMLDXEAASA-N 2 2 344.463 1.256 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CO)cc1 ZINC001032753793 707829650 /nfs/dbraw/zinc/82/96/50/707829650.db2.gz MQQITTVKPQZEGU-IRXDYDNUSA-N 2 2 340.427 1.238 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(CO)cc1 ZINC001032753793 707829652 /nfs/dbraw/zinc/82/96/52/707829652.db2.gz MQQITTVKPQZEGU-IRXDYDNUSA-N 2 2 340.427 1.238 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033422909 707837762 /nfs/dbraw/zinc/83/77/62/707837762.db2.gz KJKPRFKRSMYEBL-GXTWGEPZSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033422909 707837766 /nfs/dbraw/zinc/83/77/66/707837766.db2.gz KJKPRFKRSMYEBL-GXTWGEPZSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033422909 707837771 /nfs/dbraw/zinc/83/77/71/707837771.db2.gz KJKPRFKRSMYEBL-GXTWGEPZSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033422909 707837774 /nfs/dbraw/zinc/83/77/74/707837774.db2.gz KJKPRFKRSMYEBL-GXTWGEPZSA-N 2 2 337.493 1.364 20 0 EDADLP C[C@H]([NH2+]Cc1cnsn1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982071 707860809 /nfs/dbraw/zinc/86/08/09/707860809.db2.gz OQPASMDWDRDAPS-DZGCQCFKSA-N 2 2 349.504 1.493 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001033466324 707923597 /nfs/dbraw/zinc/92/35/97/707923597.db2.gz JRSHKVOWGVNNME-GJZGRUSLSA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001033466324 707923601 /nfs/dbraw/zinc/92/36/01/707923601.db2.gz JRSHKVOWGVNNME-GJZGRUSLSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnn2C)C1)[NH+]1CCCCCC1 ZINC001033466606 707924164 /nfs/dbraw/zinc/92/41/64/707924164.db2.gz GOSBYHMXZLWANO-IRXDYDNUSA-N 2 2 347.507 1.717 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1)[NH+]1CCCCCC1 ZINC001033466606 707924165 /nfs/dbraw/zinc/92/41/65/707924165.db2.gz GOSBYHMXZLWANO-IRXDYDNUSA-N 2 2 347.507 1.717 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005011594 707929925 /nfs/dbraw/zinc/92/99/25/707929925.db2.gz SXJOTUFJDAWJFS-HOCLYGCPSA-N 2 2 330.436 1.176 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2c(F)cccc2F)C1 ZINC001032781480 707968770 /nfs/dbraw/zinc/96/87/70/707968770.db2.gz WYCROSYUUQFVGG-ILXRZTDVSA-N 2 2 349.425 1.744 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2c(F)cccc2F)C1 ZINC001032781480 707968773 /nfs/dbraw/zinc/96/87/73/707968773.db2.gz WYCROSYUUQFVGG-ILXRZTDVSA-N 2 2 349.425 1.744 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2c(F)cccc2F)C1 ZINC001032781480 707968776 /nfs/dbraw/zinc/96/87/76/707968776.db2.gz WYCROSYUUQFVGG-ILXRZTDVSA-N 2 2 349.425 1.744 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCc2c(F)cccc2F)C1 ZINC001032781480 707968779 /nfs/dbraw/zinc/96/87/79/707968779.db2.gz WYCROSYUUQFVGG-ILXRZTDVSA-N 2 2 349.425 1.744 20 0 EDADLP Cc1cnc([C@@H](C)[N@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)o1 ZINC001001448003 708152001 /nfs/dbraw/zinc/15/20/01/708152001.db2.gz GIYHGEGMIPHWSP-GDBMZVCRSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cnc([C@@H](C)[N@@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)o1 ZINC001001448003 708152005 /nfs/dbraw/zinc/15/20/05/708152005.db2.gz GIYHGEGMIPHWSP-GDBMZVCRSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001001448003 708152008 /nfs/dbraw/zinc/15/20/08/708152008.db2.gz GIYHGEGMIPHWSP-GDBMZVCRSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001001448003 708152012 /nfs/dbraw/zinc/15/20/12/708152012.db2.gz GIYHGEGMIPHWSP-GDBMZVCRSA-N 2 2 332.448 1.744 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)C1CCCCC1 ZINC001032815052 708152425 /nfs/dbraw/zinc/15/24/25/708152425.db2.gz XHNYFICEKIHGQR-ULQDDVLXSA-N 2 2 332.448 1.109 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)C1CCCCC1 ZINC001032815052 708152426 /nfs/dbraw/zinc/15/24/26/708152426.db2.gz XHNYFICEKIHGQR-ULQDDVLXSA-N 2 2 332.448 1.109 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033591036 708288303 /nfs/dbraw/zinc/28/83/03/708288303.db2.gz SESOWAAVVGBNHS-LSDHHAIUSA-N 2 2 334.464 1.647 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033591036 708288304 /nfs/dbraw/zinc/28/83/04/708288304.db2.gz SESOWAAVVGBNHS-LSDHHAIUSA-N 2 2 334.464 1.647 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001033671552 708461885 /nfs/dbraw/zinc/46/18/85/708461885.db2.gz IEVMWYNMVJRQNG-ZWKOTPCHSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001033671552 708461886 /nfs/dbraw/zinc/46/18/86/708461886.db2.gz IEVMWYNMVJRQNG-ZWKOTPCHSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001033671552 708461887 /nfs/dbraw/zinc/46/18/87/708461887.db2.gz IEVMWYNMVJRQNG-ZWKOTPCHSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001033671552 708461888 /nfs/dbraw/zinc/46/18/88/708461888.db2.gz IEVMWYNMVJRQNG-ZWKOTPCHSA-N 2 2 349.450 1.579 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033701301 708527561 /nfs/dbraw/zinc/52/75/61/708527561.db2.gz AVBGZLSOZSTFDH-IAGOWNOFSA-N 2 2 328.416 1.149 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033701301 708527562 /nfs/dbraw/zinc/52/75/62/708527562.db2.gz AVBGZLSOZSTFDH-IAGOWNOFSA-N 2 2 328.416 1.149 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC001033707618 708539621 /nfs/dbraw/zinc/53/96/21/708539621.db2.gz SCTSCSZRAYARLO-HNNXBMFYSA-N 2 2 329.404 1.020 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC001033707618 708539622 /nfs/dbraw/zinc/53/96/22/708539622.db2.gz SCTSCSZRAYARLO-HNNXBMFYSA-N 2 2 329.404 1.020 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001033830610 708851990 /nfs/dbraw/zinc/85/19/90/708851990.db2.gz LMAHKDSVSFZGLU-ZWKOTPCHSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001033830610 708851992 /nfs/dbraw/zinc/85/19/92/708851992.db2.gz LMAHKDSVSFZGLU-ZWKOTPCHSA-N 2 2 346.475 1.748 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033833026 708857358 /nfs/dbraw/zinc/85/73/58/708857358.db2.gz CUENCHPWSCQLGS-BFYDXBDKSA-N 2 2 348.495 1.061 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033833026 708857360 /nfs/dbraw/zinc/85/73/60/708857360.db2.gz CUENCHPWSCQLGS-BFYDXBDKSA-N 2 2 348.495 1.061 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001033833026 708857362 /nfs/dbraw/zinc/85/73/62/708857362.db2.gz CUENCHPWSCQLGS-BFYDXBDKSA-N 2 2 348.495 1.061 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001033833026 708857365 /nfs/dbraw/zinc/85/73/65/708857365.db2.gz CUENCHPWSCQLGS-BFYDXBDKSA-N 2 2 348.495 1.061 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001033833855 708860195 /nfs/dbraw/zinc/86/01/95/708860195.db2.gz RNWFYVNWMMOLIC-HOCLYGCPSA-N 2 2 330.432 1.560 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001033833855 708860196 /nfs/dbraw/zinc/86/01/96/708860196.db2.gz RNWFYVNWMMOLIC-HOCLYGCPSA-N 2 2 330.432 1.560 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC001033839278 708869453 /nfs/dbraw/zinc/86/94/53/708869453.db2.gz RBZAXQDUULHPPU-UMVBOHGHSA-N 2 2 337.493 1.301 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC001033839278 708869457 /nfs/dbraw/zinc/86/94/57/708869457.db2.gz RBZAXQDUULHPPU-UMVBOHGHSA-N 2 2 337.493 1.301 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cnns2)C1 ZINC001033839278 708869460 /nfs/dbraw/zinc/86/94/60/708869460.db2.gz RBZAXQDUULHPPU-UMVBOHGHSA-N 2 2 337.493 1.301 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cnns2)C1 ZINC001033839278 708869462 /nfs/dbraw/zinc/86/94/62/708869462.db2.gz RBZAXQDUULHPPU-UMVBOHGHSA-N 2 2 337.493 1.301 20 0 EDADLP Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001002535017 709092578 /nfs/dbraw/zinc/09/25/78/709092578.db2.gz OCCFSWCSZNAWQJ-GOSISDBHSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)c(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001002535017 709092579 /nfs/dbraw/zinc/09/25/79/709092579.db2.gz OCCFSWCSZNAWQJ-GOSISDBHSA-N 2 2 349.450 1.545 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033940896 709146815 /nfs/dbraw/zinc/14/68/15/709146815.db2.gz KRVVXEXGLHWLPW-SFHVURJKSA-N 2 2 347.507 1.668 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033940896 709146817 /nfs/dbraw/zinc/14/68/17/709146817.db2.gz KRVVXEXGLHWLPW-SFHVURJKSA-N 2 2 347.507 1.668 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033942061 709149028 /nfs/dbraw/zinc/14/90/28/709149028.db2.gz WDMKCFBNOUPTAU-INIZCTEOSA-N 2 2 348.495 1.063 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033942061 709149029 /nfs/dbraw/zinc/14/90/29/709149029.db2.gz WDMKCFBNOUPTAU-INIZCTEOSA-N 2 2 348.495 1.063 20 0 EDADLP COc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034138487 709388295 /nfs/dbraw/zinc/38/82/95/709388295.db2.gz PHEPXPHKXUHPST-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034138487 709388297 /nfs/dbraw/zinc/38/82/97/709388297.db2.gz PHEPXPHKXUHPST-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034138487 709388300 /nfs/dbraw/zinc/38/83/00/709388300.db2.gz PHEPXPHKXUHPST-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034138487 709388303 /nfs/dbraw/zinc/38/83/03/709388303.db2.gz PHEPXPHKXUHPST-DLBZAZTESA-N 2 2 346.475 1.655 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001002790991 709398404 /nfs/dbraw/zinc/39/84/04/709398404.db2.gz CWZDTCWLPPWESX-ZBFHGGJFSA-N 2 2 348.495 1.330 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001002790991 709398407 /nfs/dbraw/zinc/39/84/07/709398407.db2.gz CWZDTCWLPPWESX-ZBFHGGJFSA-N 2 2 348.495 1.330 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)no1 ZINC001002803869 709406399 /nfs/dbraw/zinc/40/63/99/709406399.db2.gz XCWODFXAERIRDN-MAUKXSAKSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)no1 ZINC001002803869 709406402 /nfs/dbraw/zinc/40/64/02/709406402.db2.gz XCWODFXAERIRDN-MAUKXSAKSA-N 2 2 346.475 1.938 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001034144677 709415362 /nfs/dbraw/zinc/41/53/62/709415362.db2.gz CBNLCIAWMIAXNJ-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001034144677 709415363 /nfs/dbraw/zinc/41/53/63/709415363.db2.gz CBNLCIAWMIAXNJ-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001034144677 709415365 /nfs/dbraw/zinc/41/53/65/709415365.db2.gz CBNLCIAWMIAXNJ-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001034144677 709415367 /nfs/dbraw/zinc/41/53/67/709415367.db2.gz CBNLCIAWMIAXNJ-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)co1 ZINC001002811670 709417668 /nfs/dbraw/zinc/41/76/68/709417668.db2.gz QAJGGLVXVMWIHO-MAUKXSAKSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)co1 ZINC001002811670 709417669 /nfs/dbraw/zinc/41/76/69/709417669.db2.gz QAJGGLVXVMWIHO-MAUKXSAKSA-N 2 2 346.475 1.938 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001032829733 709460167 /nfs/dbraw/zinc/46/01/67/709460167.db2.gz BSWVOCKUQCSCDR-MELADBBJSA-N 2 2 331.407 1.085 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001032829733 709460168 /nfs/dbraw/zinc/46/01/68/709460168.db2.gz BSWVOCKUQCSCDR-MELADBBJSA-N 2 2 331.407 1.085 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001032829733 709460169 /nfs/dbraw/zinc/46/01/69/709460169.db2.gz BSWVOCKUQCSCDR-MELADBBJSA-N 2 2 331.407 1.085 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001032829733 709460170 /nfs/dbraw/zinc/46/01/70/709460170.db2.gz BSWVOCKUQCSCDR-MELADBBJSA-N 2 2 331.407 1.085 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001002956091 709658748 /nfs/dbraw/zinc/65/87/48/709658748.db2.gz QNWJUQCCVCLAEY-XJKSGUPXSA-N 2 2 349.479 1.894 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC001002956091 709658749 /nfs/dbraw/zinc/65/87/49/709658749.db2.gz QNWJUQCCVCLAEY-XJKSGUPXSA-N 2 2 349.479 1.894 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccns2)CC1)[C@@H]1CCCc2[nH+]ccn21 ZINC001003015779 709802140 /nfs/dbraw/zinc/80/21/40/709802140.db2.gz DPHDUFPOHQBDTM-HNNXBMFYSA-N 2 2 345.472 1.998 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375481 709870007 /nfs/dbraw/zinc/87/00/07/709870007.db2.gz CBLZEGXVLMTHRI-BBRMVZONSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375481 709870012 /nfs/dbraw/zinc/87/00/12/709870012.db2.gz CBLZEGXVLMTHRI-BBRMVZONSA-N 2 2 349.479 1.752 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](CCF)C1)c1cc(C[NH+]2CCCC2)on1 ZINC001034404085 709951653 /nfs/dbraw/zinc/95/16/53/709951653.db2.gz GBPHPTUTSURLND-CQSZACIVSA-N 2 2 338.427 1.824 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](CCF)C1)c1cc(C[NH+]2CCCC2)on1 ZINC001034404085 709951656 /nfs/dbraw/zinc/95/16/56/709951656.db2.gz GBPHPTUTSURLND-CQSZACIVSA-N 2 2 338.427 1.824 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003146562 710045185 /nfs/dbraw/zinc/04/51/85/710045185.db2.gz SPNMGWZXBIQLDV-IAGOWNOFSA-N 2 2 345.491 1.518 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003146562 710045188 /nfs/dbraw/zinc/04/51/88/710045188.db2.gz SPNMGWZXBIQLDV-IAGOWNOFSA-N 2 2 345.491 1.518 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001003167878 710080069 /nfs/dbraw/zinc/08/00/69/710080069.db2.gz PTXVNMFGXQXZTE-DZGCQCFKSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003167878 710080075 /nfs/dbraw/zinc/08/00/75/710080075.db2.gz PTXVNMFGXQXZTE-DZGCQCFKSA-N 2 2 349.479 1.758 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003192115 710088344 /nfs/dbraw/zinc/08/83/44/710088344.db2.gz DZINDFKYPDQGTQ-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001003179309 710095091 /nfs/dbraw/zinc/09/50/91/710095091.db2.gz HNUZLRNMHUPBEG-INIZCTEOSA-N 2 2 339.443 1.621 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001034491236 710110649 /nfs/dbraw/zinc/11/06/49/710110649.db2.gz QFDZFXLERIOYAE-DZGCQCFKSA-N 2 2 347.463 1.506 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001034491236 710110650 /nfs/dbraw/zinc/11/06/50/710110650.db2.gz QFDZFXLERIOYAE-DZGCQCFKSA-N 2 2 347.463 1.506 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001034484821 710130213 /nfs/dbraw/zinc/13/02/13/710130213.db2.gz OVWKRQGODYGZOO-JKSUJKDBSA-N 2 2 334.464 1.360 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001034484821 710130214 /nfs/dbraw/zinc/13/02/14/710130214.db2.gz OVWKRQGODYGZOO-JKSUJKDBSA-N 2 2 334.464 1.360 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCCO2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001003195492 710130311 /nfs/dbraw/zinc/13/03/11/710130311.db2.gz XVVVCKPJKAVNFT-DOTOQJQBSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1nnc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034487005 710134428 /nfs/dbraw/zinc/13/44/28/710134428.db2.gz DFXFRYZSXTZTTB-GJZGRUSLSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nnc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001034487005 710134431 /nfs/dbraw/zinc/13/44/31/710134431.db2.gz DFXFRYZSXTZTTB-GJZGRUSLSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nnc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034487005 710134435 /nfs/dbraw/zinc/13/44/35/710134435.db2.gz DFXFRYZSXTZTTB-GJZGRUSLSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nnc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034487005 710134436 /nfs/dbraw/zinc/13/44/36/710134436.db2.gz DFXFRYZSXTZTTB-GJZGRUSLSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)co1 ZINC001034486983 710134731 /nfs/dbraw/zinc/13/47/31/710134731.db2.gz DEZMJUYQXKVLMZ-CVEARBPZSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)co1 ZINC001034486983 710134733 /nfs/dbraw/zinc/13/47/33/710134733.db2.gz DEZMJUYQXKVLMZ-CVEARBPZSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)co1 ZINC001034486983 710134737 /nfs/dbraw/zinc/13/47/37/710134737.db2.gz DEZMJUYQXKVLMZ-CVEARBPZSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)co1 ZINC001034486983 710134740 /nfs/dbraw/zinc/13/47/40/710134740.db2.gz DEZMJUYQXKVLMZ-CVEARBPZSA-N 2 2 334.464 1.796 20 0 EDADLP Cn1nccc1C[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003251712 710175027 /nfs/dbraw/zinc/17/50/27/710175027.db2.gz AGEDYVWDHQIDOU-UHFFFAOYSA-N 2 2 338.415 1.462 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034527117 710180321 /nfs/dbraw/zinc/18/03/21/710180321.db2.gz FINWHPZCUKNDQF-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034527117 710180323 /nfs/dbraw/zinc/18/03/23/710180323.db2.gz FINWHPZCUKNDQF-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034527785 710180723 /nfs/dbraw/zinc/18/07/23/710180723.db2.gz IAAGPEFBLIIQHE-KRWDZBQOSA-N 2 2 331.464 1.352 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034527785 710180725 /nfs/dbraw/zinc/18/07/25/710180725.db2.gz IAAGPEFBLIIQHE-KRWDZBQOSA-N 2 2 331.464 1.352 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001034528732 710182891 /nfs/dbraw/zinc/18/28/91/710182891.db2.gz PTLKXIKKYHOBTJ-KRWDZBQOSA-N 2 2 334.439 1.787 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](Cc2cncc(F)c2)C1 ZINC001034528732 710182893 /nfs/dbraw/zinc/18/28/93/710182893.db2.gz PTLKXIKKYHOBTJ-KRWDZBQOSA-N 2 2 334.439 1.787 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547580 710221843 /nfs/dbraw/zinc/22/18/43/710221843.db2.gz VLDWUNREXRWJKF-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547580 710221845 /nfs/dbraw/zinc/22/18/45/710221845.db2.gz VLDWUNREXRWJKF-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1cnc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547525 710222036 /nfs/dbraw/zinc/22/20/36/710222036.db2.gz SZTXQNNZJDRZHO-CVEARBPZSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1cnc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001034547525 710222039 /nfs/dbraw/zinc/22/20/39/710222039.db2.gz SZTXQNNZJDRZHO-CVEARBPZSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC001003507739 710389110 /nfs/dbraw/zinc/38/91/10/710389110.db2.gz LZKWBDRMEASCHT-GUTXKFCHSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC001003507739 710389112 /nfs/dbraw/zinc/38/91/12/710389112.db2.gz LZKWBDRMEASCHT-GUTXKFCHSA-N 2 2 349.479 1.750 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003630679 710460108 /nfs/dbraw/zinc/46/01/08/710460108.db2.gz MOQARWGELMUUEI-OAHLLOKOSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003630679 710460109 /nfs/dbraw/zinc/46/01/09/710460109.db2.gz MOQARWGELMUUEI-OAHLLOKOSA-N 2 2 333.480 1.325 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)C2)cc[nH+]1 ZINC001061767404 710599351 /nfs/dbraw/zinc/59/93/51/710599351.db2.gz ITPJKZNAPFXFRP-INIZCTEOSA-N 2 2 343.475 1.604 20 0 EDADLP CC[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001005578786 710620983 /nfs/dbraw/zinc/62/09/83/710620983.db2.gz GKVSLCJNWLLYPL-OAHLLOKOSA-N 2 2 349.479 1.113 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnns2)CC1 ZINC001005592900 710640708 /nfs/dbraw/zinc/64/07/08/710640708.db2.gz ODCFBWCEIBEIMC-HNNXBMFYSA-N 2 2 337.493 1.445 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2cnns2)CC1 ZINC001005592900 710640711 /nfs/dbraw/zinc/64/07/11/710640711.db2.gz ODCFBWCEIBEIMC-HNNXBMFYSA-N 2 2 337.493 1.445 20 0 EDADLP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1)OC ZINC001005605497 710685914 /nfs/dbraw/zinc/68/59/14/710685914.db2.gz JMNGPIYCJYLJON-CRAIPNDOSA-N 2 2 348.491 1.793 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034693019 710782810 /nfs/dbraw/zinc/78/28/10/710782810.db2.gz RXKKCJQASJYKTM-JOCQHMNTSA-N 2 2 334.449 1.260 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001032945198 710924492 /nfs/dbraw/zinc/92/44/92/710924492.db2.gz OLFWLQAUFKRJOM-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001032945198 710924494 /nfs/dbraw/zinc/92/44/94/710924494.db2.gz OLFWLQAUFKRJOM-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001032945198 710924497 /nfs/dbraw/zinc/92/44/97/710924497.db2.gz OLFWLQAUFKRJOM-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001032945198 710924500 /nfs/dbraw/zinc/92/45/00/710924500.db2.gz OLFWLQAUFKRJOM-HOTGVXAUSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001032945922 710925972 /nfs/dbraw/zinc/92/59/72/710925972.db2.gz RDVLYFQJWWDHRE-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001032945922 710925975 /nfs/dbraw/zinc/92/59/75/710925975.db2.gz RDVLYFQJWWDHRE-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001032945922 710925977 /nfs/dbraw/zinc/92/59/77/710925977.db2.gz RDVLYFQJWWDHRE-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001032945922 710925980 /nfs/dbraw/zinc/92/59/80/710925980.db2.gz RDVLYFQJWWDHRE-HZPDHXFCSA-N 2 2 332.448 1.217 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC001034762525 710999833 /nfs/dbraw/zinc/99/98/33/710999833.db2.gz CFWWXRKFSCEUMD-JOCQHMNTSA-N 2 2 333.461 1.934 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)nn1C ZINC001034764226 711038770 /nfs/dbraw/zinc/03/87/70/711038770.db2.gz QUVIQHRXKFVZQK-HDJSIYSDSA-N 2 2 330.436 1.211 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003972261 711126072 /nfs/dbraw/zinc/12/60/72/711126072.db2.gz WNBQBTBSBYHNCX-UONOGXRCSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003972261 711126073 /nfs/dbraw/zinc/12/60/73/711126073.db2.gz WNBQBTBSBYHNCX-UONOGXRCSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)o1 ZINC001003966969 711137101 /nfs/dbraw/zinc/13/71/01/711137101.db2.gz HGWIZXCRSDNMIA-HOCLYGCPSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034801001 711140323 /nfs/dbraw/zinc/14/03/23/711140323.db2.gz CJMNQWXVISDCSU-JOCQHMNTSA-N 2 2 334.449 1.260 20 0 EDADLP Cc1conc1C[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001005719644 711143192 /nfs/dbraw/zinc/14/31/92/711143192.db2.gz SYBZZEWGOFVSJP-UHFFFAOYSA-N 2 2 331.420 1.611 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC)no1 ZINC001034953654 711418707 /nfs/dbraw/zinc/41/87/07/711418707.db2.gz FOLKSQLFYLRQAU-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(CC)no1 ZINC001034953654 711418710 /nfs/dbraw/zinc/41/87/10/711418710.db2.gz FOLKSQLFYLRQAU-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001004148519 711561682 /nfs/dbraw/zinc/56/16/82/711561682.db2.gz SKRIZTCOXLPAFH-GFCCVEGCSA-N 2 2 337.493 1.584 20 0 EDADLP CC(C)c1noc([C@H](C)[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001004148658 711561881 /nfs/dbraw/zinc/56/18/81/711561881.db2.gz VCSZMSMRWAONPW-AWEZNQCLSA-N 2 2 349.479 1.930 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@H+](CCF)C1 ZINC001033143088 711951668 /nfs/dbraw/zinc/95/16/68/711951668.db2.gz WRPSISKRDHMWLH-JKSUJKDBSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@@H+](CCF)C1 ZINC001033143088 711951670 /nfs/dbraw/zinc/95/16/70/711951670.db2.gz WRPSISKRDHMWLH-JKSUJKDBSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)[C@H]1CC[NH+](CCF)C1 ZINC001033143088 711951671 /nfs/dbraw/zinc/95/16/71/711951671.db2.gz WRPSISKRDHMWLH-JKSUJKDBSA-N 2 2 327.444 1.132 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C1CCOCC1)[C@H]1CC[NH+](CCF)C1 ZINC001033143088 711951673 /nfs/dbraw/zinc/95/16/73/711951673.db2.gz WRPSISKRDHMWLH-JKSUJKDBSA-N 2 2 327.444 1.132 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000341494894 282080726 /nfs/dbraw/zinc/08/07/26/282080726.db2.gz JMCMAVIVBVRVNM-SJJHQCBESA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000341494894 282080728 /nfs/dbraw/zinc/08/07/28/282080728.db2.gz JMCMAVIVBVRVNM-SJJHQCBESA-N 2 2 338.496 1.221 20 0 EDADLP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000557597579 306230542 /nfs/dbraw/zinc/23/05/42/306230542.db2.gz URRDFEFEVDMOLS-INIZCTEOSA-N 2 2 346.475 1.597 20 0 EDADLP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1csnn1 ZINC000412048812 303957006 /nfs/dbraw/zinc/95/70/06/303957006.db2.gz YGFPEVYJYWXXNX-DOMZBBRYSA-N 2 2 333.461 1.608 20 0 EDADLP CCC(CC)C[N@H+](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000051824341 214105057 /nfs/dbraw/zinc/10/50/57/214105057.db2.gz KKCPYHBESXDWQD-UHFFFAOYSA-N 2 2 327.513 1.972 20 0 EDADLP CCC(CC)C[N@@H+](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000051824341 214105062 /nfs/dbraw/zinc/10/50/62/214105062.db2.gz KKCPYHBESXDWQD-UHFFFAOYSA-N 2 2 327.513 1.972 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCCC(C)(C)C ZINC000371299732 282211192 /nfs/dbraw/zinc/21/11/92/282211192.db2.gz JWFXQIIOJZEIOM-BZUAXINKSA-N 2 2 325.497 1.722 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCCC(C)(C)C ZINC000371299732 282211193 /nfs/dbraw/zinc/21/11/93/282211193.db2.gz JWFXQIIOJZEIOM-BZUAXINKSA-N 2 2 325.497 1.722 20 0 EDADLP CN(Cc1ccco1)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295360 282223947 /nfs/dbraw/zinc/22/39/47/282223947.db2.gz QWJJAOHNGDGTLA-HYVNUMGLSA-N 2 2 335.448 1.422 20 0 EDADLP CN(Cc1ccco1)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295360 282223952 /nfs/dbraw/zinc/22/39/52/282223952.db2.gz QWJJAOHNGDGTLA-HYVNUMGLSA-N 2 2 335.448 1.422 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@]1(COC)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000357281761 282223622 /nfs/dbraw/zinc/22/36/22/282223622.db2.gz BZYWQNYGPLWZET-FUHWJXTLSA-N 2 2 341.496 1.008 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[NH+]1CCOCC1 ZINC000173709649 282223693 /nfs/dbraw/zinc/22/36/93/282223693.db2.gz YWMROVFWWATSHF-WBVHZDCISA-N 2 2 327.513 1.970 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000168176453 529979791 /nfs/dbraw/zinc/97/97/91/529979791.db2.gz PNBZRAQRKXLKSW-ZIAGYGMSSA-N 2 2 325.478 1.435 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000101627434 219147940 /nfs/dbraw/zinc/14/79/40/219147940.db2.gz GFRQRYGFUYSHHD-RDJZCZTQSA-N 2 2 348.491 1.050 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000434181910 305118408 /nfs/dbraw/zinc/11/84/08/305118408.db2.gz IOJWZVNWDLADCR-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000434181910 305118409 /nfs/dbraw/zinc/11/84/09/305118409.db2.gz IOJWZVNWDLADCR-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](CNC(=O)C(=O)NCCCCn1cc[nH+]c1)C[NH+]1CCCCC1 ZINC000560308047 306263732 /nfs/dbraw/zinc/26/37/32/306263732.db2.gz YGDMKVJRQCAEFK-MRXNPFEDSA-N 2 2 349.479 1.018 20 0 EDADLP CC[N@H+](CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000102572859 219211130 /nfs/dbraw/zinc/21/11/30/219211130.db2.gz KNCMKZUGCZNZOU-UHFFFAOYSA-N 2 2 333.480 1.639 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C(C)C ZINC000102572859 219211132 /nfs/dbraw/zinc/21/11/32/219211132.db2.gz KNCMKZUGCZNZOU-UHFFFAOYSA-N 2 2 333.480 1.639 20 0 EDADLP CC[N@H+](CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)Cc1ccccc1Cl ZINC000560636380 306276579 /nfs/dbraw/zinc/27/65/79/306276579.db2.gz UHUPHXQCYZYFJP-HOTGVXAUSA-N 2 2 339.867 1.295 20 0 EDADLP CC[N@@H+](CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)Cc1ccccc1Cl ZINC000560636380 306276580 /nfs/dbraw/zinc/27/65/80/306276580.db2.gz UHUPHXQCYZYFJP-HOTGVXAUSA-N 2 2 339.867 1.295 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332681125 539600762 /nfs/dbraw/zinc/60/07/62/539600762.db2.gz IEHWHXYVHVDNOW-HOTGVXAUSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332681125 539600764 /nfs/dbraw/zinc/60/07/64/539600764.db2.gz IEHWHXYVHVDNOW-HOTGVXAUSA-N 2 2 331.464 1.688 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000561193514 306284301 /nfs/dbraw/zinc/28/43/01/306284301.db2.gz GAOBZXYFKXKFEJ-APWZRJJASA-N 2 2 330.476 1.565 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)CCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000561193514 306284302 /nfs/dbraw/zinc/28/43/02/306284302.db2.gz GAOBZXYFKXKFEJ-APWZRJJASA-N 2 2 330.476 1.565 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000561202400 306284550 /nfs/dbraw/zinc/28/45/50/306284550.db2.gz AFNCIGFJQYFSSL-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000561202400 306284551 /nfs/dbraw/zinc/28/45/51/306284551.db2.gz AFNCIGFJQYFSSL-AEFFLSMTSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000103301942 219287154 /nfs/dbraw/zinc/28/71/54/219287154.db2.gz WUZYQLQVDJOJHJ-IYBDPMFKSA-N 2 2 349.479 1.729 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(n3cc[nH+]c3)CC2)C[C@H](C)O1 ZINC000103301942 219287157 /nfs/dbraw/zinc/28/71/57/219287157.db2.gz WUZYQLQVDJOJHJ-IYBDPMFKSA-N 2 2 349.479 1.729 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccccc2OC)CC1 ZINC000103492292 219307256 /nfs/dbraw/zinc/30/72/56/219307256.db2.gz LAFPEIDGOCPHTH-UHFFFAOYSA-N 2 2 349.475 1.560 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)c1csc(C[NH3+])n1)[NH+]1CCOCC1 ZINC000236667851 535108307 /nfs/dbraw/zinc/10/83/07/535108307.db2.gz FEDHNFBNMSEPIO-CQSZACIVSA-N 2 2 340.493 1.469 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342735002 539763500 /nfs/dbraw/zinc/76/35/00/539763500.db2.gz VWFHKSUYJSUQFG-UHFFFAOYSA-N 2 2 347.507 1.806 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CCc3cccs3)CC2)[N@H+](C)C1 ZINC000344178101 539805366 /nfs/dbraw/zinc/80/53/66/539805366.db2.gz XILDGJKVUHIMDR-HOCLYGCPSA-N 2 2 337.489 1.154 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](CCc3cccs3)CC2)[N@@H+](C)C1 ZINC000344178101 539805369 /nfs/dbraw/zinc/80/53/69/539805369.db2.gz XILDGJKVUHIMDR-HOCLYGCPSA-N 2 2 337.489 1.154 20 0 EDADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000562338483 306295974 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YEYKFNBWFXESGZ-SMDDNHRTSA-N 2 2 332.404 1.903 20 0 EDADLP COC(=O)[C@@H](C)[C@H]([NH2+]Cc1nc(C(C)(C)[NH3+])no1)c1ccccc1 ZINC000563154450 306320732 /nfs/dbraw/zinc/32/07/32/306320732.db2.gz YEYKFNBWFXESGZ-FZMZJTMJSA-N 2 2 332.404 1.903 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000563203304 306323276 /nfs/dbraw/zinc/32/32/76/306323276.db2.gz TYDYPTAVGYJBPZ-JKSUJKDBSA-N 2 2 332.448 1.016 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000563211208 306323870 /nfs/dbraw/zinc/32/38/70/306323870.db2.gz RHRDVAASYWLEMG-SJORKVTESA-N 3 2 336.524 1.441 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940884 283061555 /nfs/dbraw/zinc/06/15/55/283061555.db2.gz GYORADQFHQKXRZ-INIZCTEOSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940884 283061557 /nfs/dbraw/zinc/06/15/57/283061557.db2.gz GYORADQFHQKXRZ-INIZCTEOSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940884 283061561 /nfs/dbraw/zinc/06/15/61/283061561.db2.gz GYORADQFHQKXRZ-INIZCTEOSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940884 283061566 /nfs/dbraw/zinc/06/15/66/283061566.db2.gz GYORADQFHQKXRZ-INIZCTEOSA-N 3 2 336.524 1.393 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224210 540075862 /nfs/dbraw/zinc/07/58/62/540075862.db2.gz OMIWVHFJTGBXCD-FUHWJXTLSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224210 540075864 /nfs/dbraw/zinc/07/58/64/540075864.db2.gz OMIWVHFJTGBXCD-FUHWJXTLSA-N 2 2 342.443 1.342 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ncc[nH]1 ZINC000286001686 540082195 /nfs/dbraw/zinc/08/21/95/540082195.db2.gz IRJNFYKDGYNGHU-HNNXBMFYSA-N 2 2 330.432 1.972 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000563336861 306328219 /nfs/dbraw/zinc/32/82/19/306328219.db2.gz NHWXPNRMYOPCFL-CQSZACIVSA-N 2 2 329.366 1.739 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000563336861 306328220 /nfs/dbraw/zinc/32/82/20/306328220.db2.gz NHWXPNRMYOPCFL-CQSZACIVSA-N 2 2 329.366 1.739 20 0 EDADLP O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000563499151 306335885 /nfs/dbraw/zinc/33/58/85/306335885.db2.gz OMIHEHJVTZWMTL-INIZCTEOSA-N 2 2 344.459 1.661 20 0 EDADLP CC[NH+](CC)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000063757815 138169084 /nfs/dbraw/zinc/16/90/84/138169084.db2.gz VZKLOERRLOPVQR-GASCZTMLSA-N 2 2 334.464 1.653 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000563568364 306339292 /nfs/dbraw/zinc/33/92/92/306339292.db2.gz IMUANPLXDSYMFQ-GOSISDBHSA-N 2 2 348.491 1.229 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090655599 138280142 /nfs/dbraw/zinc/28/01/42/138280142.db2.gz SAJNENAVOZMDQP-HZPDHXFCSA-N 2 2 335.452 1.168 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090655599 138280143 /nfs/dbraw/zinc/28/01/43/138280143.db2.gz SAJNENAVOZMDQP-HZPDHXFCSA-N 2 2 335.452 1.168 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[N@@H+]1C ZINC000123546294 138319257 /nfs/dbraw/zinc/31/92/57/138319257.db2.gz MUDUYAPYJXVPIW-CABCVRRESA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[N@H+]1C ZINC000123546294 138319258 /nfs/dbraw/zinc/31/92/58/138319258.db2.gz MUDUYAPYJXVPIW-CABCVRRESA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[NH+]1C ZINC000123546294 138319259 /nfs/dbraw/zinc/31/92/59/138319259.db2.gz MUDUYAPYJXVPIW-CABCVRRESA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[NH+]1C ZINC000123546294 138319260 /nfs/dbraw/zinc/31/92/60/138319260.db2.gz MUDUYAPYJXVPIW-CABCVRRESA-N 2 2 340.489 1.883 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)on1 ZINC000123663717 138320465 /nfs/dbraw/zinc/32/04/65/138320465.db2.gz XINXMOVAGPLSDM-ZIAGYGMSSA-N 2 2 331.420 1.998 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)on1 ZINC000123663717 138320466 /nfs/dbraw/zinc/32/04/66/138320466.db2.gz XINXMOVAGPLSDM-ZIAGYGMSSA-N 2 2 331.420 1.998 20 0 EDADLP CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000123912899 138322378 /nfs/dbraw/zinc/32/23/78/138322378.db2.gz CBTBJYLQBIUMTN-FHWLQOOXSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000123912899 138322379 /nfs/dbraw/zinc/32/23/79/138322379.db2.gz CBTBJYLQBIUMTN-FHWLQOOXSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123912899 138322380 /nfs/dbraw/zinc/32/23/80/138322380.db2.gz CBTBJYLQBIUMTN-FHWLQOOXSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123912899 138322381 /nfs/dbraw/zinc/32/23/81/138322381.db2.gz CBTBJYLQBIUMTN-FHWLQOOXSA-N 2 2 345.487 1.876 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000563653792 306343868 /nfs/dbraw/zinc/34/38/68/306343868.db2.gz BUHFIJXBVDPKKN-GJZGRUSLSA-N 2 2 332.366 1.784 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000563653792 306343869 /nfs/dbraw/zinc/34/38/69/306343869.db2.gz BUHFIJXBVDPKKN-GJZGRUSLSA-N 2 2 332.366 1.784 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000563799357 306347407 /nfs/dbraw/zinc/34/74/07/306347407.db2.gz VAVWHMUJJZOJMP-CQSZACIVSA-N 2 2 348.447 1.022 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000649546848 452138996 /nfs/dbraw/zinc/13/89/96/452138996.db2.gz BVNMPDBNOWZQHC-FZMZJTMJSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000649546848 452139002 /nfs/dbraw/zinc/13/90/02/452139002.db2.gz BVNMPDBNOWZQHC-FZMZJTMJSA-N 2 2 345.896 1.902 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639809660 452145365 /nfs/dbraw/zinc/14/53/65/452145365.db2.gz KYMQWTLPVCCDPN-CQSZACIVSA-N 2 2 327.494 1.134 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639809660 452145370 /nfs/dbraw/zinc/14/53/70/452145370.db2.gz KYMQWTLPVCCDPN-CQSZACIVSA-N 2 2 327.494 1.134 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)C1C[NH2+]C1 ZINC000564649660 306361838 /nfs/dbraw/zinc/36/18/38/306361838.db2.gz JNWRXDZOAAEWBH-AWEZNQCLSA-N 2 2 337.489 1.559 20 0 EDADLP O=S(=O)(CC[NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(F)cc1 ZINC000564869880 306368039 /nfs/dbraw/zinc/36/80/39/306368039.db2.gz LNAIQWMADYXECK-UHFFFAOYSA-N 2 2 337.420 1.922 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000072823842 216311947 /nfs/dbraw/zinc/31/19/47/216311947.db2.gz MPZXTUNQFZESTK-HNNXBMFYSA-N 2 2 332.448 1.998 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000072823842 216311951 /nfs/dbraw/zinc/31/19/51/216311951.db2.gz MPZXTUNQFZESTK-HNNXBMFYSA-N 2 2 332.448 1.998 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)CC1 ZINC000414336974 304107820 /nfs/dbraw/zinc/10/78/20/304107820.db2.gz HXZBAANAPAUEHW-GOEBONIOSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000414336974 304107822 /nfs/dbraw/zinc/10/78/22/304107822.db2.gz HXZBAANAPAUEHW-GOEBONIOSA-N 2 2 339.480 1.251 20 0 EDADLP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000332154722 291282459 /nfs/dbraw/zinc/28/24/59/291282459.db2.gz WSUNXBXLKLFFBI-QGZVFWFLSA-N 2 2 348.443 1.060 20 0 EDADLP COC(=O)[C@H]1CN(Cc2c[nH+]c(C)n2-c2ccccc2)CC[N@H+](C)C1 ZINC000414489792 304119763 /nfs/dbraw/zinc/11/97/63/304119763.db2.gz NMFHDPYBPNQBJQ-MRXNPFEDSA-N 2 2 342.443 1.717 20 0 EDADLP COC(=O)[C@H]1CN(Cc2c[nH+]c(C)n2-c2ccccc2)CC[N@@H+](C)C1 ZINC000414489792 304119764 /nfs/dbraw/zinc/11/97/64/304119764.db2.gz NMFHDPYBPNQBJQ-MRXNPFEDSA-N 2 2 342.443 1.717 20 0 EDADLP Brc1ccc2ncc(C[NH2+]C[C@H]3C[NH2+]CCO3)n2c1 ZINC000415098103 304159679 /nfs/dbraw/zinc/15/96/79/304159679.db2.gz UWMNEPRQZQFXNN-GFCCVEGCSA-N 2 2 325.210 1.175 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000236786204 139031299 /nfs/dbraw/zinc/03/12/99/139031299.db2.gz MNTUYIHBRCEKHQ-KRWDZBQOSA-N 2 2 346.475 1.723 20 0 EDADLP CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110654487 220052964 /nfs/dbraw/zinc/05/29/64/220052964.db2.gz ZBIULMOOGOYRNR-KRWDZBQOSA-N 2 2 331.460 1.590 20 0 EDADLP CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000110654487 220052967 /nfs/dbraw/zinc/05/29/67/220052967.db2.gz ZBIULMOOGOYRNR-KRWDZBQOSA-N 2 2 331.460 1.590 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000079459907 217227353 /nfs/dbraw/zinc/22/73/53/217227353.db2.gz DKWSMEJWDJVRDK-OAHLLOKOSA-N 2 2 329.448 1.398 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000079459907 217227357 /nfs/dbraw/zinc/22/73/57/217227357.db2.gz DKWSMEJWDJVRDK-OAHLLOKOSA-N 2 2 329.448 1.398 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000237869662 139062407 /nfs/dbraw/zinc/06/24/07/139062407.db2.gz JOEVKDZODPRLPD-WBVHZDCISA-N 2 2 347.459 1.141 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362184971 284393366 /nfs/dbraw/zinc/39/33/66/284393366.db2.gz KGQAKOULIDBJFL-HZPDHXFCSA-N 2 2 340.512 1.164 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000362184971 284393373 /nfs/dbraw/zinc/39/33/73/284393373.db2.gz KGQAKOULIDBJFL-HZPDHXFCSA-N 2 2 340.512 1.164 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000362184971 284393376 /nfs/dbraw/zinc/39/33/76/284393376.db2.gz KGQAKOULIDBJFL-HZPDHXFCSA-N 2 2 340.512 1.164 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000362184971 284393380 /nfs/dbraw/zinc/39/33/80/284393380.db2.gz KGQAKOULIDBJFL-HZPDHXFCSA-N 2 2 340.512 1.164 20 0 EDADLP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000237924850 139063952 /nfs/dbraw/zinc/06/39/52/139063952.db2.gz GDGKRSFIUUSQIN-AWEZNQCLSA-N 2 2 337.851 1.473 20 0 EDADLP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCCn1cc[nH+]c1 ZINC000081223322 217371463 /nfs/dbraw/zinc/37/14/63/217371463.db2.gz XNVLJUFYZDNLHO-UHFFFAOYSA-N 2 2 341.459 1.602 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000567639435 306457638 /nfs/dbraw/zinc/45/76/38/306457638.db2.gz PCCIMPRBEQZNPV-VYDXJSESSA-N 2 2 337.489 1.570 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000245434690 139074360 /nfs/dbraw/zinc/07/43/60/139074360.db2.gz PXRZHJYLAQPYRG-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000245434690 139074361 /nfs/dbraw/zinc/07/43/61/139074361.db2.gz PXRZHJYLAQPYRG-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000245434690 139074362 /nfs/dbraw/zinc/07/43/62/139074362.db2.gz PXRZHJYLAQPYRG-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000245434690 139074363 /nfs/dbraw/zinc/07/43/63/139074363.db2.gz PXRZHJYLAQPYRG-RDJZCZTQSA-N 2 2 346.475 1.675 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454262962 305421357 /nfs/dbraw/zinc/42/13/57/305421357.db2.gz JTDGCAMACKERKA-MRXNPFEDSA-N 2 2 326.485 1.272 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246556183 139112786 /nfs/dbraw/zinc/11/27/86/139112786.db2.gz KRHGIZIOQSKSNA-IOASZLSFSA-N 2 2 334.464 1.312 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246556183 139112788 /nfs/dbraw/zinc/11/27/88/139112788.db2.gz KRHGIZIOQSKSNA-IOASZLSFSA-N 2 2 334.464 1.312 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246556183 139112789 /nfs/dbraw/zinc/11/27/89/139112789.db2.gz KRHGIZIOQSKSNA-IOASZLSFSA-N 2 2 334.464 1.312 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000247663657 139153741 /nfs/dbraw/zinc/15/37/41/139153741.db2.gz QEOHHHNWNFLYFP-UKRRQHHQSA-N 2 2 345.403 1.385 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000247663657 139153742 /nfs/dbraw/zinc/15/37/42/139153742.db2.gz QEOHHHNWNFLYFP-UKRRQHHQSA-N 2 2 345.403 1.385 20 0 EDADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000247889474 139155529 /nfs/dbraw/zinc/15/55/29/139155529.db2.gz DYFCGYYKVGWRST-HIFRSBDPSA-N 2 2 325.478 1.730 20 0 EDADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000247889474 139155530 /nfs/dbraw/zinc/15/55/30/139155530.db2.gz DYFCGYYKVGWRST-HIFRSBDPSA-N 2 2 325.478 1.730 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248198034 139159445 /nfs/dbraw/zinc/15/94/45/139159445.db2.gz XSHVGEGODFJRCF-IAGOWNOFSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248198034 139159446 /nfs/dbraw/zinc/15/94/46/139159446.db2.gz XSHVGEGODFJRCF-IAGOWNOFSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248198034 139159447 /nfs/dbraw/zinc/15/94/47/139159447.db2.gz XSHVGEGODFJRCF-IAGOWNOFSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248198034 139159448 /nfs/dbraw/zinc/15/94/48/139159448.db2.gz XSHVGEGODFJRCF-IAGOWNOFSA-N 2 2 331.460 1.728 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000248468314 139165737 /nfs/dbraw/zinc/16/57/37/139165737.db2.gz UCZFVLYTQUYNJQ-UONOGXRCSA-N 2 2 336.436 1.224 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000248468314 139165738 /nfs/dbraw/zinc/16/57/38/139165738.db2.gz UCZFVLYTQUYNJQ-UONOGXRCSA-N 2 2 336.436 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCOC[C@H]3C[C@H](C)O)c2cc1C ZINC000248629110 139169190 /nfs/dbraw/zinc/16/91/90/139169190.db2.gz PWNJNYLFAJFCMK-GVDBMIGSSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCOC[C@H]3C[C@H](C)O)c2cc1C ZINC000248629110 139169191 /nfs/dbraw/zinc/16/91/91/139169191.db2.gz PWNJNYLFAJFCMK-GVDBMIGSSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)O[C@H](CO)C3)c2cc1C ZINC000248867271 139178373 /nfs/dbraw/zinc/17/83/73/139178373.db2.gz UCCCLSDSDIWHFX-OAGGEKHMSA-N 2 2 333.432 1.096 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@H](CO)C3)c2cc1C ZINC000248867271 139178374 /nfs/dbraw/zinc/17/83/74/139178374.db2.gz UCCCLSDSDIWHFX-OAGGEKHMSA-N 2 2 333.432 1.096 20 0 EDADLP CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000092843252 218175694 /nfs/dbraw/zinc/17/56/94/218175694.db2.gz IIPTUJISWBUZFI-INIZCTEOSA-N 2 2 334.445 1.386 20 0 EDADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000092843252 218175697 /nfs/dbraw/zinc/17/56/97/218175697.db2.gz IIPTUJISWBUZFI-INIZCTEOSA-N 2 2 334.445 1.386 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@@]4(CCOC4)C3)c2cc1C ZINC000249057359 139184207 /nfs/dbraw/zinc/18/42/07/139184207.db2.gz XVSLONNNNKLBPW-APWZRJJASA-N 2 2 345.443 1.505 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@@]4(CCOC4)C3)c2cc1C ZINC000249057359 139184208 /nfs/dbraw/zinc/18/42/08/139184208.db2.gz XVSLONNNNKLBPW-APWZRJJASA-N 2 2 345.443 1.505 20 0 EDADLP CC(=O)Nc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821096 218253137 /nfs/dbraw/zinc/25/31/37/218253137.db2.gz OVFOMCGICLFUAN-SFHVURJKSA-N 2 2 344.459 1.383 20 0 EDADLP CC(=O)Nc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821096 218253139 /nfs/dbraw/zinc/25/31/39/218253139.db2.gz OVFOMCGICLFUAN-SFHVURJKSA-N 2 2 344.459 1.383 20 0 EDADLP CC(C)OC[C@H](O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249534331 139195204 /nfs/dbraw/zinc/19/52/04/139195204.db2.gz BYVSRDAEEWXFMO-MOPGFXCFSA-N 2 2 336.476 1.341 20 0 EDADLP CC(C)OC[C@H](O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534331 139195201 /nfs/dbraw/zinc/19/52/01/139195201.db2.gz BYVSRDAEEWXFMO-MOPGFXCFSA-N 2 2 336.476 1.341 20 0 EDADLP CC(C)OC[C@H](O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534331 139195202 /nfs/dbraw/zinc/19/52/02/139195202.db2.gz BYVSRDAEEWXFMO-MOPGFXCFSA-N 2 2 336.476 1.341 20 0 EDADLP CC(C)OC[C@H](O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249534331 139195203 /nfs/dbraw/zinc/19/52/03/139195203.db2.gz BYVSRDAEEWXFMO-MOPGFXCFSA-N 2 2 336.476 1.341 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000253146298 139205383 /nfs/dbraw/zinc/20/53/83/139205383.db2.gz JGVSPFFXICMOEJ-HUUCEWRRSA-N 2 2 345.491 1.782 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000253146298 139205384 /nfs/dbraw/zinc/20/53/84/139205384.db2.gz JGVSPFFXICMOEJ-HUUCEWRRSA-N 2 2 345.491 1.782 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261586384 139209253 /nfs/dbraw/zinc/20/92/53/139209253.db2.gz IXGWZJMUUJABNJ-MSOLQXFVSA-N 2 2 331.460 1.536 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261586384 139209254 /nfs/dbraw/zinc/20/92/54/139209254.db2.gz IXGWZJMUUJABNJ-MSOLQXFVSA-N 2 2 331.460 1.536 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000261591854 139209296 /nfs/dbraw/zinc/20/92/96/139209296.db2.gz MCXKTNSDMUEMSS-NJAFHUGGSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000261591854 139209297 /nfs/dbraw/zinc/20/92/97/139209297.db2.gz MCXKTNSDMUEMSS-NJAFHUGGSA-N 2 2 331.460 1.392 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000261895674 139234814 /nfs/dbraw/zinc/23/48/14/139234814.db2.gz CYVGSYAZLBDJPB-KRWDZBQOSA-N 2 2 345.491 1.071 20 0 EDADLP Cc1cccc(NC(=O)CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000261937972 139238696 /nfs/dbraw/zinc/23/86/96/139238696.db2.gz MHQLHMALLJRCIB-GOSISDBHSA-N 2 2 344.503 1.859 20 0 EDADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000569211834 306499646 /nfs/dbraw/zinc/49/96/46/306499646.db2.gz OEFBBIVAQOMMAL-HIFRSBDPSA-N 2 2 327.494 1.252 20 0 EDADLP CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)cs1 ZINC000261977092 139241266 /nfs/dbraw/zinc/24/12/66/139241266.db2.gz BTTUWUAOHFBSJV-CYBMUJFWSA-N 2 2 340.493 1.494 20 0 EDADLP CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)cs1 ZINC000261977092 139241267 /nfs/dbraw/zinc/24/12/67/139241267.db2.gz BTTUWUAOHFBSJV-CYBMUJFWSA-N 2 2 340.493 1.494 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000262031755 139245267 /nfs/dbraw/zinc/24/52/67/139245267.db2.gz JXTQTSYHUYXYPJ-JYJNAYRXSA-N 2 2 341.402 1.579 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000262031755 139245268 /nfs/dbraw/zinc/24/52/68/139245268.db2.gz JXTQTSYHUYXYPJ-JYJNAYRXSA-N 2 2 341.402 1.579 20 0 EDADLP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262049535 139246798 /nfs/dbraw/zinc/24/67/98/139246798.db2.gz IGCPINKRMPLUIA-QGZVFWFLSA-N 2 2 331.460 1.578 20 0 EDADLP Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262049535 139246799 /nfs/dbraw/zinc/24/67/99/139246799.db2.gz IGCPINKRMPLUIA-QGZVFWFLSA-N 2 2 331.460 1.578 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000262284044 139266474 /nfs/dbraw/zinc/26/64/74/139266474.db2.gz LTIMKKWIPCZSQV-KZNAEPCWSA-N 2 2 331.460 1.694 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC(F)(F)C[NH3+])c1c(F)cccc1F ZINC000417653879 251213442 /nfs/dbraw/zinc/21/34/42/251213442.db2.gz BPXOZYMNSLILIH-NSHDSACASA-N 2 2 336.333 1.461 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417709911 251237124 /nfs/dbraw/zinc/23/71/24/251237124.db2.gz WWERYFYIZFJRJG-ZIAGYGMSSA-N 2 2 332.439 1.795 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417709911 251237129 /nfs/dbraw/zinc/23/71/29/251237129.db2.gz WWERYFYIZFJRJG-ZIAGYGMSSA-N 2 2 332.439 1.795 20 0 EDADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CCC[NH2+]CC1 ZINC000417839219 251291829 /nfs/dbraw/zinc/29/18/29/251291829.db2.gz JXFWSUDGOPSKOP-UHFFFAOYSA-N 2 2 327.432 1.631 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417839952 251294256 /nfs/dbraw/zinc/29/42/56/251294256.db2.gz KSQXAAJOXBGQBN-ZBFHGGJFSA-N 2 2 327.432 1.757 20 0 EDADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000417855067 251298853 /nfs/dbraw/zinc/29/88/53/251298853.db2.gz URGYBYWTAOFBSN-MRXNPFEDSA-N 2 2 327.432 1.677 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)NC1CC[NH2+]CC1 ZINC000418305979 251357952 /nfs/dbraw/zinc/35/79/52/251357952.db2.gz JALPECOUQAYXGF-JSGCOSHPSA-N 2 2 340.468 1.712 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)NC1CC[NH2+]CC1 ZINC000418305979 251357957 /nfs/dbraw/zinc/35/79/57/251357957.db2.gz JALPECOUQAYXGF-JSGCOSHPSA-N 2 2 340.468 1.712 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000262642303 139292603 /nfs/dbraw/zinc/29/26/03/139292603.db2.gz JDQMSVFWIYBCBS-AEFFLSMTSA-N 2 2 331.460 1.566 20 0 EDADLP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262693828 139296846 /nfs/dbraw/zinc/29/68/46/139296846.db2.gz AVJZKCCNFOPTLO-HNNXBMFYSA-N 2 2 339.386 1.497 20 0 EDADLP Clc1cccnc1N1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422872061 252006950 /nfs/dbraw/zinc/00/69/50/252006950.db2.gz FMXNUKNRMFKRHX-CWRNSKLLSA-N 2 2 336.867 1.670 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422876388 252007724 /nfs/dbraw/zinc/00/77/24/252007724.db2.gz GLEJUHQTDJYIIZ-HIFRSBDPSA-N 2 2 335.448 1.440 20 0 EDADLP COC1CC[NH+](C2(C[NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000422883121 252010239 /nfs/dbraw/zinc/01/02/39/252010239.db2.gz BPOBZPREASDCPP-IAGOWNOFSA-N 3 2 339.524 1.767 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422892927 252013189 /nfs/dbraw/zinc/01/31/89/252013189.db2.gz ZTYOZMSJNVQEAG-SNRMKQJTSA-N 3 2 344.503 1.614 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422892927 252013191 /nfs/dbraw/zinc/01/31/91/252013191.db2.gz ZTYOZMSJNVQEAG-SNRMKQJTSA-N 3 2 344.503 1.614 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422891476 252014163 /nfs/dbraw/zinc/01/41/63/252014163.db2.gz KRXHJTPWPFWMQJ-PXNSSMCTSA-N 3 2 330.520 1.912 20 0 EDADLP COc1cccc(N2CC[C@H](C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)C2)c1 ZINC000422896950 252015442 /nfs/dbraw/zinc/01/54/42/252015442.db2.gz BADNRFLOIOBXCT-ZACQAIPSSA-N 2 2 333.476 1.878 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000423073814 252034715 /nfs/dbraw/zinc/03/47/15/252034715.db2.gz JWYYBXCUTLJETL-WCQYABFASA-N 2 2 346.880 1.600 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423072087 252034763 /nfs/dbraw/zinc/03/47/63/252034763.db2.gz GRZYSRRPRCIXSX-DLBZAZTESA-N 2 2 340.489 1.856 20 0 EDADLP CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000423155745 252039513 /nfs/dbraw/zinc/03/95/13/252039513.db2.gz QXHPOFNASPSXSD-IRXDYDNUSA-N 2 2 339.505 1.947 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423180963 252043859 /nfs/dbraw/zinc/04/38/59/252043859.db2.gz LAFMKPUABNFQDR-BEFAXECRSA-N 3 2 344.503 1.614 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423864764 252096868 /nfs/dbraw/zinc/09/68/68/252096868.db2.gz ZIDCPUXRUSCXMX-CVEARBPZSA-N 2 2 333.476 1.974 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423864764 252096871 /nfs/dbraw/zinc/09/68/71/252096871.db2.gz ZIDCPUXRUSCXMX-CVEARBPZSA-N 2 2 333.476 1.974 20 0 EDADLP C[C@@H](C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1)[C@H](C)[NH3+] ZINC000423899209 252103602 /nfs/dbraw/zinc/10/36/02/252103602.db2.gz QLIGWHCJRUXESC-CABCVRRESA-N 2 2 326.444 1.994 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424142998 252142161 /nfs/dbraw/zinc/14/21/61/252142161.db2.gz YRPIFOAAQOMPEH-CYBMUJFWSA-N 2 2 342.447 1.382 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)cn2c1 ZINC000424126987 252132312 /nfs/dbraw/zinc/13/23/12/252132312.db2.gz CLODTHJQDBPBLM-AWEZNQCLSA-N 2 2 339.403 1.089 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N1CCN(c2ccccc2O)CC1 ZINC000424333197 252197142 /nfs/dbraw/zinc/19/71/42/252197142.db2.gz LUHJVXZEMGPYRB-ARFHVFGLSA-N 2 2 346.475 1.289 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000424332426 252197887 /nfs/dbraw/zinc/19/78/87/252197887.db2.gz KQQCBRDYDOUCAM-NUEKZKHPSA-N 2 2 347.459 1.365 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2nsc3ccccc23)CC1 ZINC000424699548 252262816 /nfs/dbraw/zinc/26/28/16/252262816.db2.gz GRGDVPURVFEBIH-UHFFFAOYSA-N 2 2 346.500 1.981 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000263249203 139330904 /nfs/dbraw/zinc/33/09/04/139330904.db2.gz IYCTYIROBKTJMB-XHSDSOJGSA-N 2 2 325.416 1.804 20 0 EDADLP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000263299929 139334245 /nfs/dbraw/zinc/33/42/45/139334245.db2.gz WXYGXDCICKMGDY-YMTOWFKASA-N 2 2 342.230 1.244 20 0 EDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000349465527 296385614 /nfs/dbraw/zinc/38/56/14/296385614.db2.gz UMUQLABFIZFVCO-OAGGEKHMSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)C1 ZINC000349465527 296385616 /nfs/dbraw/zinc/38/56/16/296385616.db2.gz UMUQLABFIZFVCO-OAGGEKHMSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC000349465527 296385619 /nfs/dbraw/zinc/38/56/19/296385619.db2.gz UMUQLABFIZFVCO-OAGGEKHMSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC000349465527 296385621 /nfs/dbraw/zinc/38/56/21/296385621.db2.gz UMUQLABFIZFVCO-OAGGEKHMSA-N 2 2 338.496 1.221 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000455292919 254838125 /nfs/dbraw/zinc/83/81/25/254838125.db2.gz KUGJSMFIYSEIHJ-HNNXBMFYSA-N 2 2 337.468 1.545 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000459909420 255008856 /nfs/dbraw/zinc/00/88/56/255008856.db2.gz RJHQXHDAGMNRJT-UHFFFAOYSA-N 2 2 349.479 1.162 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000459909420 255008858 /nfs/dbraw/zinc/00/88/58/255008858.db2.gz RJHQXHDAGMNRJT-UHFFFAOYSA-N 2 2 349.479 1.162 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488595875 255045782 /nfs/dbraw/zinc/04/57/82/255045782.db2.gz INFMWSICAFZZBA-HZPDHXFCSA-N 2 2 331.464 1.762 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488595875 255045783 /nfs/dbraw/zinc/04/57/83/255045783.db2.gz INFMWSICAFZZBA-HZPDHXFCSA-N 2 2 331.464 1.762 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000492294702 255168729 /nfs/dbraw/zinc/16/87/29/255168729.db2.gz JSGZGHFUJSVKRT-FLELRFNZSA-N 2 2 334.464 1.922 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000493714939 255219990 /nfs/dbraw/zinc/21/99/90/255219990.db2.gz ZWJIFRLBWMCJCE-GBXSZLQWSA-N 2 2 327.350 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000493714939 255219991 /nfs/dbraw/zinc/21/99/91/255219991.db2.gz ZWJIFRLBWMCJCE-GBXSZLQWSA-N 2 2 327.350 1.820 20 0 EDADLP CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492901787 255186853 /nfs/dbraw/zinc/18/68/53/255186853.db2.gz PNZOHUWAQPJVMZ-VOTSOKGWSA-N 2 2 348.447 1.734 20 0 EDADLP CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492901787 255186854 /nfs/dbraw/zinc/18/68/54/255186854.db2.gz PNZOHUWAQPJVMZ-VOTSOKGWSA-N 2 2 348.447 1.734 20 0 EDADLP CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492901786 255186860 /nfs/dbraw/zinc/18/68/60/255186860.db2.gz PNZOHUWAQPJVMZ-SREVYHEPSA-N 2 2 348.447 1.734 20 0 EDADLP CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492901786 255186861 /nfs/dbraw/zinc/18/68/61/255186861.db2.gz PNZOHUWAQPJVMZ-SREVYHEPSA-N 2 2 348.447 1.734 20 0 EDADLP CC[C@@H]1CN(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000494465638 255251703 /nfs/dbraw/zinc/25/17/03/255251703.db2.gz CBDWQBXASUSBFR-MISYRCLQSA-N 2 2 346.519 1.992 20 0 EDADLP CC[C@@H]1CN(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000494465638 255251704 /nfs/dbraw/zinc/25/17/04/255251704.db2.gz CBDWQBXASUSBFR-MISYRCLQSA-N 2 2 346.519 1.992 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC[C@H](C)C2)CCO1 ZINC000494660183 255256478 /nfs/dbraw/zinc/25/64/78/255256478.db2.gz FAEBJIAJRVBALG-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC[C@H](C)C2)CCO1 ZINC000494660183 255256479 /nfs/dbraw/zinc/25/64/79/255256479.db2.gz FAEBJIAJRVBALG-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000494660183 255256480 /nfs/dbraw/zinc/25/64/80/255256480.db2.gz FAEBJIAJRVBALG-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000494660183 255256481 /nfs/dbraw/zinc/25/64/81/255256481.db2.gz FAEBJIAJRVBALG-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496211534 255364620 /nfs/dbraw/zinc/36/46/20/255364620.db2.gz GAHNQXRFYUKOBH-JKSUJKDBSA-N 2 2 341.496 1.678 20 0 EDADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496211534 255364621 /nfs/dbraw/zinc/36/46/21/255364621.db2.gz GAHNQXRFYUKOBH-JKSUJKDBSA-N 2 2 341.496 1.678 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCCO1 ZINC000496395046 255391613 /nfs/dbraw/zinc/39/16/13/255391613.db2.gz ZJDRRWWJDDTKJT-OAHLLOKOSA-N 2 2 338.452 1.889 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCCO1 ZINC000496395046 255391614 /nfs/dbraw/zinc/39/16/14/255391614.db2.gz ZJDRRWWJDDTKJT-OAHLLOKOSA-N 2 2 338.452 1.889 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000496472636 255395850 /nfs/dbraw/zinc/39/58/50/255395850.db2.gz IHSZNGYMGOZFLY-KRWDZBQOSA-N 2 2 335.448 1.301 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000496472636 255395851 /nfs/dbraw/zinc/39/58/51/255395851.db2.gz IHSZNGYMGOZFLY-KRWDZBQOSA-N 2 2 335.448 1.301 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCN2CCOC2=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000496217119 255365760 /nfs/dbraw/zinc/36/57/60/255365760.db2.gz IVDJIYBOISPWRV-DLBZAZTESA-N 2 2 333.432 1.920 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117762197 221087175 /nfs/dbraw/zinc/08/71/75/221087175.db2.gz YGHIRADGGKEDEG-HZPDHXFCSA-N 2 2 348.466 1.404 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117762197 221087178 /nfs/dbraw/zinc/08/71/78/221087178.db2.gz YGHIRADGGKEDEG-HZPDHXFCSA-N 2 2 348.466 1.404 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000118843280 221193938 /nfs/dbraw/zinc/19/39/38/221193938.db2.gz MNAKCIZYBCMJCI-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000118843280 221193942 /nfs/dbraw/zinc/19/39/42/221193942.db2.gz MNAKCIZYBCMJCI-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000118843280 221193945 /nfs/dbraw/zinc/19/39/45/221193945.db2.gz MNAKCIZYBCMJCI-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000118843280 221193948 /nfs/dbraw/zinc/19/39/48/221193948.db2.gz MNAKCIZYBCMJCI-AWEZNQCLSA-N 2 2 333.432 1.685 20 0 EDADLP COc1cc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(OC)c1 ZINC000118842278 221196017 /nfs/dbraw/zinc/19/60/17/221196017.db2.gz CXMXERWBGWVOFI-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP COc1cc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(OC)c1 ZINC000118842278 221196022 /nfs/dbraw/zinc/19/60/22/221196022.db2.gz CXMXERWBGWVOFI-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP COc1cc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(OC)c1 ZINC000118842278 221196023 /nfs/dbraw/zinc/19/60/23/221196023.db2.gz CXMXERWBGWVOFI-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP COc1cc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(OC)c1 ZINC000118842278 221196027 /nfs/dbraw/zinc/19/60/27/221196027.db2.gz CXMXERWBGWVOFI-AWEZNQCLSA-N 2 2 335.448 1.916 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000119561478 221348386 /nfs/dbraw/zinc/34/83/86/221348386.db2.gz BPKLOAPJDSVOKY-UHFFFAOYSA-N 2 2 342.399 1.407 20 0 EDADLP CS[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH+](C)C ZINC000270767418 140164949 /nfs/dbraw/zinc/16/49/49/140164949.db2.gz QCHMAZCIKWEKSO-HZPDHXFCSA-N 2 2 330.457 1.990 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331869183 141091559 /nfs/dbraw/zinc/09/15/59/141091559.db2.gz GSZOYEDFIVTJGD-PMPSAXMXSA-N 2 2 333.480 1.626 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000332527009 141196453 /nfs/dbraw/zinc/19/64/53/141196453.db2.gz NXNGMYZRZJHAON-HYVNUMGLSA-N 2 2 331.464 1.740 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)n1C ZINC000333475275 141323497 /nfs/dbraw/zinc/32/34/97/141323497.db2.gz DVXOYDKWNOKRDS-CQSZACIVSA-N 2 2 334.468 1.256 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)[C@H]1n1cccn1 ZINC000339597148 142087780 /nfs/dbraw/zinc/08/77/80/142087780.db2.gz YYKSYAJHSQQZCA-SQWLQELKSA-N 2 2 335.477 1.910 20 0 EDADLP Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)nc[nH+]1 ZINC000339701015 142125126 /nfs/dbraw/zinc/12/51/26/142125126.db2.gz IIKJBBQRWSMBIZ-INIZCTEOSA-N 2 2 327.432 1.486 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000339753802 142145662 /nfs/dbraw/zinc/14/56/62/142145662.db2.gz VUJPICPGLXNWDL-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(CCO)CCCC2)CC1 ZINC000340247969 142318455 /nfs/dbraw/zinc/31/84/55/142318455.db2.gz AGQYTYVOMPXAAZ-UHFFFAOYSA-N 2 2 340.512 1.254 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000344949488 143029927 /nfs/dbraw/zinc/02/99/27/143029927.db2.gz KBSSQCRPOXLCDH-GJZGRUSLSA-N 2 2 334.489 1.319 20 0 EDADLP COC(=O)c1occc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000344964480 143031946 /nfs/dbraw/zinc/03/19/46/143031946.db2.gz FRPJSZOJRVKNTR-XJKSGUPXSA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1occc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000344964480 143031947 /nfs/dbraw/zinc/03/19/47/143031947.db2.gz FRPJSZOJRVKNTR-XJKSGUPXSA-N 2 2 346.431 1.972 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000345065095 143046135 /nfs/dbraw/zinc/04/61/35/143046135.db2.gz ZRAGDSIWHHONIN-UHFFFAOYSA-N 2 2 330.432 1.954 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCc3c[nH]nn3)CC2)CC1 ZINC000345340843 143080066 /nfs/dbraw/zinc/08/00/66/143080066.db2.gz ARDJMHZOMPDSFT-UHFFFAOYSA-N 2 2 348.495 1.192 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCc3cn[nH]n3)CC2)CC1 ZINC000345340843 143080067 /nfs/dbraw/zinc/08/00/67/143080067.db2.gz ARDJMHZOMPDSFT-UHFFFAOYSA-N 2 2 348.495 1.192 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000345387081 143085038 /nfs/dbraw/zinc/08/50/38/143085038.db2.gz KOPNJRUUOPVKJM-UHFFFAOYSA-N 2 2 328.420 1.508 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345663820 143118378 /nfs/dbraw/zinc/11/83/78/143118378.db2.gz MBFFZQFJGYWDAU-UHFFFAOYSA-N 2 2 326.400 1.309 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000345693770 143122312 /nfs/dbraw/zinc/12/23/12/143122312.db2.gz ORXVECKCHLBUSV-AWEZNQCLSA-N 2 2 344.381 1.046 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000345929626 143148366 /nfs/dbraw/zinc/14/83/66/143148366.db2.gz MZXIRTFRVWWRFV-OAHLLOKOSA-N 2 2 345.447 1.954 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000345929626 143148367 /nfs/dbraw/zinc/14/83/67/143148367.db2.gz MZXIRTFRVWWRFV-OAHLLOKOSA-N 2 2 345.447 1.954 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000346169976 143174595 /nfs/dbraw/zinc/17/45/95/143174595.db2.gz FSFDVIWFNHWBBC-MUJYYYPQSA-N 2 2 340.512 1.515 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C(=O)OC)n2)[C@@H](C)C1 ZINC000346444889 143205373 /nfs/dbraw/zinc/20/53/73/143205373.db2.gz MHMXUPMNANZYOD-DZGCQCFKSA-N 2 2 348.447 1.469 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C(=O)OC)n2)[C@@H](C)C1 ZINC000346444889 143205374 /nfs/dbraw/zinc/20/53/74/143205374.db2.gz MHMXUPMNANZYOD-DZGCQCFKSA-N 2 2 348.447 1.469 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(=O)OC)n2)[C@@H](C)C1 ZINC000346444889 143205375 /nfs/dbraw/zinc/20/53/75/143205375.db2.gz MHMXUPMNANZYOD-DZGCQCFKSA-N 2 2 348.447 1.469 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(=O)OC)n2)[C@@H](C)C1 ZINC000346444889 143205376 /nfs/dbraw/zinc/20/53/76/143205376.db2.gz MHMXUPMNANZYOD-DZGCQCFKSA-N 2 2 348.447 1.469 20 0 EDADLP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000346452509 143206202 /nfs/dbraw/zinc/20/62/02/143206202.db2.gz XMUOCEIMUPOIFW-LJQANCHMSA-N 2 2 343.450 1.932 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1c(C2CC2)nc2sccn12 ZINC000347062750 143277841 /nfs/dbraw/zinc/27/78/41/143277841.db2.gz CCOYGXUJNKNKNS-UHFFFAOYSA-N 2 2 333.461 1.137 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1c(C2CC2)nc2sccn12 ZINC000347062750 143277842 /nfs/dbraw/zinc/27/78/42/143277842.db2.gz CCOYGXUJNKNKNS-UHFFFAOYSA-N 2 2 333.461 1.137 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347094354 143282043 /nfs/dbraw/zinc/28/20/43/143282043.db2.gz RAXMNNWESJQQQZ-HOTGVXAUSA-N 2 2 349.431 1.239 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347094354 143282044 /nfs/dbraw/zinc/28/20/44/143282044.db2.gz RAXMNNWESJQQQZ-HOTGVXAUSA-N 2 2 349.431 1.239 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H]1c1ccccc1 ZINC000347457017 143323776 /nfs/dbraw/zinc/32/37/76/143323776.db2.gz WPKASYMNGQWOFN-KZNAEPCWSA-N 2 2 331.460 1.659 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H]1c1ccccc1 ZINC000347457017 143323777 /nfs/dbraw/zinc/32/37/77/143323777.db2.gz WPKASYMNGQWOFN-KZNAEPCWSA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000347457017 143323778 /nfs/dbraw/zinc/32/37/78/143323778.db2.gz WPKASYMNGQWOFN-KZNAEPCWSA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000347457017 143323779 /nfs/dbraw/zinc/32/37/79/143323779.db2.gz WPKASYMNGQWOFN-KZNAEPCWSA-N 2 2 331.460 1.659 20 0 EDADLP CSC1(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000347902580 143377304 /nfs/dbraw/zinc/37/73/04/143377304.db2.gz FDWGTDBTWUOWGY-UHFFFAOYSA-N 2 2 334.489 1.606 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000416859800 304352747 /nfs/dbraw/zinc/35/27/47/304352747.db2.gz UTDOWLKZQBNHAF-JKSUJKDBSA-N 2 2 341.459 1.986 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416892941 304353476 /nfs/dbraw/zinc/35/34/76/304353476.db2.gz OVPCGBPSIHZFCI-XIRDDKMYSA-N 2 2 332.448 1.191 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416894806 304354064 /nfs/dbraw/zinc/35/40/64/304354064.db2.gz RKVPZKZDNJFMDT-AEFFLSMTSA-N 2 2 346.475 1.359 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000369900642 155223696 /nfs/dbraw/zinc/22/36/96/155223696.db2.gz PIXSKMOUVMYGJC-IXDOHACOSA-N 2 2 346.475 1.902 20 0 EDADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000369900642 155223697 /nfs/dbraw/zinc/22/36/97/155223697.db2.gz PIXSKMOUVMYGJC-IXDOHACOSA-N 2 2 346.475 1.902 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NCC[NH+]1CCSCC1 ZINC000352663931 149106916 /nfs/dbraw/zinc/10/69/16/149106916.db2.gz KFLVKVVDXJHSKG-UHFFFAOYSA-N 2 2 337.493 1.110 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOc3ccc(C)cc3C2)CC1 ZINC000352800627 149171009 /nfs/dbraw/zinc/17/10/09/149171009.db2.gz PCURDSIXOQMEDS-UHFFFAOYSA-N 2 2 331.460 1.790 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOc3ccc(C)cc3C2)CC1 ZINC000352800627 149171011 /nfs/dbraw/zinc/17/10/11/149171011.db2.gz PCURDSIXOQMEDS-UHFFFAOYSA-N 2 2 331.460 1.790 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000369912810 155228668 /nfs/dbraw/zinc/22/86/68/155228668.db2.gz KRPKMOCDPSUYKH-MRXNPFEDSA-N 2 2 345.491 1.889 20 0 EDADLP COc1cccc(N2C[C@H]([NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2=O)c1 ZINC000352901692 149209794 /nfs/dbraw/zinc/20/97/94/149209794.db2.gz PZMGELKKMXVQSV-IYOUNJFTSA-N 2 2 329.444 1.873 20 0 EDADLP COc1cccc(N2C[C@H]([NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2=O)c1 ZINC000352901692 149209795 /nfs/dbraw/zinc/20/97/95/149209795.db2.gz PZMGELKKMXVQSV-IYOUNJFTSA-N 2 2 329.444 1.873 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)s1 ZINC000353140473 149301918 /nfs/dbraw/zinc/30/19/18/149301918.db2.gz PNFRGFAMQDWUQA-RNJOBUHISA-N 2 2 339.509 1.993 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)s1 ZINC000353140473 149301921 /nfs/dbraw/zinc/30/19/21/149301921.db2.gz PNFRGFAMQDWUQA-RNJOBUHISA-N 2 2 339.509 1.993 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)[C@H]1C ZINC000416961826 304356088 /nfs/dbraw/zinc/35/60/88/304356088.db2.gz SKSZXYYSIPWCKF-CVEARBPZSA-N 2 2 341.459 1.866 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000416977445 304359834 /nfs/dbraw/zinc/35/98/34/304359834.db2.gz SYTVLPLVRXTEPD-ZBFHGGJFSA-N 2 2 331.464 1.949 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000416979625 304360593 /nfs/dbraw/zinc/36/05/93/304360593.db2.gz FFFSHIITXVABOI-SQWLQELKSA-N 2 2 347.463 1.185 20 0 EDADLP CCn1cc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354926250 150035290 /nfs/dbraw/zinc/03/52/90/150035290.db2.gz QLMGGKBIDJQOCT-CVEARBPZSA-N 2 2 334.443 1.681 20 0 EDADLP CCn1cc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354926250 150035293 /nfs/dbraw/zinc/03/52/93/150035293.db2.gz QLMGGKBIDJQOCT-CVEARBPZSA-N 2 2 334.443 1.681 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000416981347 304360760 /nfs/dbraw/zinc/36/07/60/304360760.db2.gz HAXFZHZWKRDVJK-LSDHHAIUSA-N 2 2 349.479 1.623 20 0 EDADLP C[C@H]1CN(C(=O)NCCn2cccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355071798 150103283 /nfs/dbraw/zinc/10/32/83/150103283.db2.gz OLZZQXAGWDVKQK-INIZCTEOSA-N 2 2 333.480 1.298 20 0 EDADLP C[C@H]1CN(C(=O)NCCn2cccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355071798 150103285 /nfs/dbraw/zinc/10/32/85/150103285.db2.gz OLZZQXAGWDVKQK-INIZCTEOSA-N 2 2 333.480 1.298 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416983481 304361566 /nfs/dbraw/zinc/36/15/66/304361566.db2.gz JICXTPFRZJOFPS-MCIONIFRSA-N 2 2 335.452 1.089 20 0 EDADLP CC(=O)N1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000355413113 150257992 /nfs/dbraw/zinc/25/79/92/150257992.db2.gz CNYRJTDLALRELC-KRWDZBQOSA-N 2 2 330.476 1.894 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)c3cc(C[NH+](C)C)on3)CC2)[nH+]1 ZINC000355616247 150338641 /nfs/dbraw/zinc/33/86/41/150338641.db2.gz YQPJJZNETMQGET-UHFFFAOYSA-N 2 2 343.431 1.838 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000356032231 150479519 /nfs/dbraw/zinc/47/95/19/150479519.db2.gz GBIYNFIIQXWTRZ-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000356032231 150479520 /nfs/dbraw/zinc/47/95/20/150479520.db2.gz GBIYNFIIQXWTRZ-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000357153765 150941385 /nfs/dbraw/zinc/94/13/85/150941385.db2.gz VMUDMLBKDKUSCA-MRXNPFEDSA-N 2 2 344.459 1.698 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417065044 304368688 /nfs/dbraw/zinc/36/86/88/304368688.db2.gz AZILWZOPJDRCRU-LBPRGKRZSA-N 2 2 327.379 1.428 20 0 EDADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651447 151102143 /nfs/dbraw/zinc/10/21/43/151102143.db2.gz SUDLYBZHHYZUIC-MRXNPFEDSA-N 2 2 345.487 1.743 20 0 EDADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651447 151102146 /nfs/dbraw/zinc/10/21/46/151102146.db2.gz SUDLYBZHHYZUIC-MRXNPFEDSA-N 2 2 345.487 1.743 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000417069615 304369118 /nfs/dbraw/zinc/36/91/18/304369118.db2.gz JSERYWISRABPDR-PBHICJAKSA-N 2 2 327.432 1.871 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000417075106 304369898 /nfs/dbraw/zinc/36/98/98/304369898.db2.gz JFWNJYMNEKEXMG-MRXNPFEDSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000358030578 151239971 /nfs/dbraw/zinc/23/99/71/151239971.db2.gz XPMCNPBVAGRNGT-FZMZJTMJSA-N 2 2 331.869 1.158 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000358030578 151239974 /nfs/dbraw/zinc/23/99/74/151239974.db2.gz XPMCNPBVAGRNGT-FZMZJTMJSA-N 2 2 331.869 1.158 20 0 EDADLP CN(C)c1ccccc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000358039474 151243716 /nfs/dbraw/zinc/24/37/16/151243716.db2.gz AIPZRXFYVIPCHI-UHFFFAOYSA-N 2 2 346.519 1.639 20 0 EDADLP CN(C)c1ccccc1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000358039474 151243717 /nfs/dbraw/zinc/24/37/17/151243717.db2.gz AIPZRXFYVIPCHI-UHFFFAOYSA-N 2 2 346.519 1.639 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000358226305 151312240 /nfs/dbraw/zinc/31/22/40/151312240.db2.gz DCDXFICZXSYVCP-RDTXWAMCSA-N 2 2 338.448 1.438 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000358226305 151312241 /nfs/dbraw/zinc/31/22/41/151312241.db2.gz DCDXFICZXSYVCP-RDTXWAMCSA-N 2 2 338.448 1.438 20 0 EDADLP FC1(F)CCC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000358291834 151328630 /nfs/dbraw/zinc/32/86/30/151328630.db2.gz GSXBWJDKJPUZFT-INIZCTEOSA-N 2 2 331.451 1.951 20 0 EDADLP FC1(F)CCC[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000358291834 151328633 /nfs/dbraw/zinc/32/86/33/151328633.db2.gz GSXBWJDKJPUZFT-INIZCTEOSA-N 2 2 331.451 1.951 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH3+])[NH+]2CCOCC2)cc1 ZINC000417171345 292252875 /nfs/dbraw/zinc/25/28/75/292252875.db2.gz DRPJBWSQNYRBRH-RDJZCZTQSA-N 2 2 334.464 1.405 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC000344109535 286280664 /nfs/dbraw/zinc/28/06/64/286280664.db2.gz SPNVMGXFQYVORQ-ARFHVFGLSA-N 2 2 325.497 1.722 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC000344109535 286280665 /nfs/dbraw/zinc/28/06/65/286280665.db2.gz SPNVMGXFQYVORQ-ARFHVFGLSA-N 2 2 325.497 1.722 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CC[C@]4(CC[NH2+]C4)C3)C2=O)c1 ZINC000360549970 152091129 /nfs/dbraw/zinc/09/11/29/152091129.db2.gz HKJQXQUZAMZYMD-MJGOQNOKSA-N 2 2 345.443 1.495 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@H+]3CC[C@]4(CC[NH2+]C4)C3)C2=O)c1 ZINC000360549970 152091132 /nfs/dbraw/zinc/09/11/32/152091132.db2.gz HKJQXQUZAMZYMD-MJGOQNOKSA-N 2 2 345.443 1.495 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000360760677 152191041 /nfs/dbraw/zinc/19/10/41/152191041.db2.gz CXFPBGBEFWALOJ-JKSUJKDBSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000360760677 152191042 /nfs/dbraw/zinc/19/10/42/152191042.db2.gz CXFPBGBEFWALOJ-JKSUJKDBSA-N 2 2 347.438 1.868 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000361050967 152290359 /nfs/dbraw/zinc/29/03/59/152290359.db2.gz IRYXBEUTZFMJIG-APWZRJJASA-N 2 2 335.467 1.971 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000361050967 152290362 /nfs/dbraw/zinc/29/03/62/152290362.db2.gz IRYXBEUTZFMJIG-APWZRJJASA-N 2 2 335.467 1.971 20 0 EDADLP Cc1ccc(F)cc1C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000361050967 152290363 /nfs/dbraw/zinc/29/03/63/152290363.db2.gz IRYXBEUTZFMJIG-APWZRJJASA-N 2 2 335.467 1.971 20 0 EDADLP Cc1ccc(F)cc1C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000361050967 152290365 /nfs/dbraw/zinc/29/03/65/152290365.db2.gz IRYXBEUTZFMJIG-APWZRJJASA-N 2 2 335.467 1.971 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000361122648 152312643 /nfs/dbraw/zinc/31/26/43/152312643.db2.gz KTUSTVJKPOQFIY-RDJZCZTQSA-N 2 2 327.432 1.695 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000361122648 152312644 /nfs/dbraw/zinc/31/26/44/152312644.db2.gz KTUSTVJKPOQFIY-RDJZCZTQSA-N 2 2 327.432 1.695 20 0 EDADLP CCC[C@@H](C(=O)N1CC[NH+](C2(C(N)=O)CCCCC2)CC1)[NH+](C)C ZINC000361215418 152337698 /nfs/dbraw/zinc/33/76/98/152337698.db2.gz NFAZRFWNKDHVOJ-HNNXBMFYSA-N 2 2 338.496 1.049 20 0 EDADLP O=C(NCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cnccn1 ZINC000361326660 152363455 /nfs/dbraw/zinc/36/34/55/152363455.db2.gz ZMARGMOQRVKIJT-UHFFFAOYSA-N 2 2 345.369 1.213 20 0 EDADLP CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(CC[N@@H+]2CCCOCC2)C1 ZINC000361382098 152377690 /nfs/dbraw/zinc/37/76/90/152377690.db2.gz SGXGCDPAYYMXLO-GOSISDBHSA-N 2 2 341.496 1.104 20 0 EDADLP CC(C)(C)OC(=O)C[NH2+][C@]1(C)CCN(CC[N@H+]2CCCOCC2)C1 ZINC000361382098 152377691 /nfs/dbraw/zinc/37/76/91/152377691.db2.gz SGXGCDPAYYMXLO-GOSISDBHSA-N 2 2 341.496 1.104 20 0 EDADLP CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(CC[N@@H+]2CCCOCC2)C1 ZINC000361382099 152377958 /nfs/dbraw/zinc/37/79/58/152377958.db2.gz SGXGCDPAYYMXLO-SFHVURJKSA-N 2 2 341.496 1.104 20 0 EDADLP CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(CC[N@H+]2CCCOCC2)C1 ZINC000361382099 152377959 /nfs/dbraw/zinc/37/79/59/152377959.db2.gz SGXGCDPAYYMXLO-SFHVURJKSA-N 2 2 341.496 1.104 20 0 EDADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCOC1 ZINC000361402043 152383103 /nfs/dbraw/zinc/38/31/03/152383103.db2.gz FVWPAHYYCLICRD-INIZCTEOSA-N 2 2 335.448 1.423 20 0 EDADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCOC1 ZINC000361402043 152383104 /nfs/dbraw/zinc/38/31/04/152383104.db2.gz FVWPAHYYCLICRD-INIZCTEOSA-N 2 2 335.448 1.423 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@H+](C)C1 ZINC000417159405 304379129 /nfs/dbraw/zinc/37/91/29/304379129.db2.gz GOYBQCVZODLPHH-CYBMUJFWSA-N 2 2 345.403 1.211 20 0 EDADLP COC(=O)[C@H]1CN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC[N@@H+](C)C1 ZINC000417159405 304379131 /nfs/dbraw/zinc/37/91/31/304379131.db2.gz GOYBQCVZODLPHH-CYBMUJFWSA-N 2 2 345.403 1.211 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000370172560 155361672 /nfs/dbraw/zinc/36/16/72/155361672.db2.gz KPCBAVSFANXPRJ-WBVHZDCISA-N 2 2 346.475 1.547 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000370172560 155361674 /nfs/dbraw/zinc/36/16/74/155361674.db2.gz KPCBAVSFANXPRJ-WBVHZDCISA-N 2 2 346.475 1.547 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000417178855 304380959 /nfs/dbraw/zinc/38/09/59/304380959.db2.gz NEXOBYWSFHXUMI-NJAFHUGGSA-N 2 2 346.475 1.357 20 0 EDADLP C[C@@H](C(=O)N(C)C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370190821 155369857 /nfs/dbraw/zinc/36/98/57/155369857.db2.gz JERKVHNIRRNLAQ-INIZCTEOSA-N 3 2 338.540 1.591 20 0 EDADLP C[C@@H](C(=O)N(C)C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370190821 155369859 /nfs/dbraw/zinc/36/98/59/155369859.db2.gz JERKVHNIRRNLAQ-INIZCTEOSA-N 3 2 338.540 1.591 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)C1 ZINC000417181220 304381371 /nfs/dbraw/zinc/38/13/71/304381371.db2.gz PKJLBQNSMNXFDX-QZTJIDSGSA-N 2 2 346.475 1.372 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)[NH+]2CCOCC2)cc1 ZINC000417181216 304381536 /nfs/dbraw/zinc/38/15/36/304381536.db2.gz PJYFRADVKLVWPE-QZTJIDSGSA-N 2 2 346.475 1.405 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]CC1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000363779139 153054363 /nfs/dbraw/zinc/05/43/63/153054363.db2.gz MBDCPQJXKCIKNR-MJGOQNOKSA-N 2 2 345.487 1.956 20 0 EDADLP C[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000363940875 153102699 /nfs/dbraw/zinc/10/26/99/153102699.db2.gz QGEYRMNDJHXMBY-APWZRJJASA-N 2 2 343.471 1.366 20 0 EDADLP C[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000363940875 153102703 /nfs/dbraw/zinc/10/27/03/153102703.db2.gz QGEYRMNDJHXMBY-APWZRJJASA-N 2 2 343.471 1.366 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)c[nH+]2)CCO1 ZINC000364252588 153187835 /nfs/dbraw/zinc/18/78/35/153187835.db2.gz ONBROQKVFUZGGQ-CVEARBPZSA-N 2 2 346.475 1.703 20 0 EDADLP C[C@H]1CN(C(=O)NCCOCC(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000364540397 153263845 /nfs/dbraw/zinc/26/38/45/153263845.db2.gz CSIIFZFNTBGKFJ-ZDUSSCGKSA-N 2 2 348.438 1.078 20 0 EDADLP C[C@H]1CN(C(=O)NCCOCC(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000364540397 153263847 /nfs/dbraw/zinc/26/38/47/153263847.db2.gz CSIIFZFNTBGKFJ-ZDUSSCGKSA-N 2 2 348.438 1.078 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364545698 153265568 /nfs/dbraw/zinc/26/55/68/153265568.db2.gz MXECZKCFIKMGCS-CQSZACIVSA-N 2 2 326.466 1.063 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364545698 153265570 /nfs/dbraw/zinc/26/55/70/153265570.db2.gz MXECZKCFIKMGCS-CQSZACIVSA-N 2 2 326.466 1.063 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000364715660 153311589 /nfs/dbraw/zinc/31/15/89/153311589.db2.gz SSQQUTKQAQHGJI-IAGOWNOFSA-N 2 2 346.475 1.477 20 0 EDADLP [NH3+][C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000417209476 304384661 /nfs/dbraw/zinc/38/46/61/304384661.db2.gz COIMLNMALXIWHA-SNVBAGLBSA-N 2 2 338.209 1.339 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000370232233 155391092 /nfs/dbraw/zinc/39/10/92/155391092.db2.gz IEYRVXYSKLZWAF-CABCVRRESA-N 2 2 348.491 1.553 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000370232233 155391095 /nfs/dbraw/zinc/39/10/95/155391095.db2.gz IEYRVXYSKLZWAF-CABCVRRESA-N 2 2 348.491 1.553 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000417264974 304388495 /nfs/dbraw/zinc/38/84/95/304388495.db2.gz AXCIZXCQJNIJMF-UKRRQHHQSA-N 2 2 331.395 1.938 20 0 EDADLP C[C@H]1CN(C(=O)N2CCSCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367211278 154043411 /nfs/dbraw/zinc/04/34/11/154043411.db2.gz KACDSCGDEJHKNI-AWEZNQCLSA-N 2 2 326.510 1.256 20 0 EDADLP C[C@H]1CN(C(=O)N2CCSCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367211278 154043413 /nfs/dbraw/zinc/04/34/13/154043413.db2.gz KACDSCGDEJHKNI-AWEZNQCLSA-N 2 2 326.510 1.256 20 0 EDADLP Cc1nc2ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)nn2n1 ZINC000367331902 154078950 /nfs/dbraw/zinc/07/89/50/154078950.db2.gz HNHDTFHPEWNVKM-XYPWUTKMSA-N 2 2 341.463 1.180 20 0 EDADLP Cc1nc2ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)nn2n1 ZINC000367331902 154078952 /nfs/dbraw/zinc/07/89/52/154078952.db2.gz HNHDTFHPEWNVKM-XYPWUTKMSA-N 2 2 341.463 1.180 20 0 EDADLP Cc1[nH+]c(CNC(=O)NCCC[NH+]2CCOCC2)c2n1CCCC2 ZINC000367678876 154226937 /nfs/dbraw/zinc/22/69/37/154226937.db2.gz PJMQZIQLARLOHA-UHFFFAOYSA-N 2 2 335.452 1.049 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCc2ncccc2C1)c1ccccc1 ZINC000367876651 154308472 /nfs/dbraw/zinc/30/84/72/154308472.db2.gz MOUBZFTTXVFQHB-IBGZPJMESA-N 2 2 338.455 1.859 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCc2ncccc2C1)c1ccccc1 ZINC000367876651 154308476 /nfs/dbraw/zinc/30/84/76/154308476.db2.gz MOUBZFTTXVFQHB-IBGZPJMESA-N 2 2 338.455 1.859 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C2)CC1 ZINC000369406441 155015880 /nfs/dbraw/zinc/01/58/80/155015880.db2.gz JWLLMCGYKJAETP-LJQANCHMSA-N 2 2 344.503 1.750 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000417380641 304395743 /nfs/dbraw/zinc/39/57/43/304395743.db2.gz HOBOCIROKJKXEC-MRXNPFEDSA-N 3 2 339.528 1.218 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000371663956 156052888 /nfs/dbraw/zinc/05/28/88/156052888.db2.gz FXYHYIZNQAQNJC-FXAWDEMLSA-N 2 2 345.487 1.569 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000371663956 156052891 /nfs/dbraw/zinc/05/28/91/156052891.db2.gz FXYHYIZNQAQNJC-FXAWDEMLSA-N 2 2 345.487 1.569 20 0 EDADLP C[C@H](O)COC(=O)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000373870789 157042024 /nfs/dbraw/zinc/04/20/24/157042024.db2.gz XTOTWZJSZAUTLI-INIZCTEOSA-N 2 2 349.475 1.334 20 0 EDADLP C[C@H](O)COC(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000373870789 157042029 /nfs/dbraw/zinc/04/20/29/157042029.db2.gz XTOTWZJSZAUTLI-INIZCTEOSA-N 2 2 349.475 1.334 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCSC3)CC2)CC1 ZINC000374116887 157149033 /nfs/dbraw/zinc/14/90/33/157149033.db2.gz BQADNGFCWGVRHS-AWEZNQCLSA-N 2 2 326.510 1.350 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CCC(O)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374256729 157215792 /nfs/dbraw/zinc/21/57/92/157215792.db2.gz AOBDSERYYHLGED-HPUBIQBYSA-N 2 2 338.496 1.100 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CCC(O)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374256729 157215798 /nfs/dbraw/zinc/21/57/98/157215798.db2.gz AOBDSERYYHLGED-HPUBIQBYSA-N 2 2 338.496 1.100 20 0 EDADLP Cc1cnn(CCNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000374257051 157216519 /nfs/dbraw/zinc/21/65/19/157216519.db2.gz PXFGSEJXGSJSCL-INIZCTEOSA-N 2 2 348.495 1.001 20 0 EDADLP Cc1cnn(CCNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000374257051 157216520 /nfs/dbraw/zinc/21/65/20/157216520.db2.gz PXFGSEJXGSJSCL-INIZCTEOSA-N 2 2 348.495 1.001 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374322200 157242750 /nfs/dbraw/zinc/24/27/50/157242750.db2.gz CDHNWSFKCKWRDX-XJKSGUPXSA-N 2 2 339.915 1.840 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000377953290 158037874 /nfs/dbraw/zinc/03/78/74/158037874.db2.gz XJPYGPIGQXSAQT-UHFFFAOYSA-N 2 2 330.436 1.518 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC000377953290 158037875 /nfs/dbraw/zinc/03/78/75/158037875.db2.gz XJPYGPIGQXSAQT-UHFFFAOYSA-N 2 2 330.436 1.518 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000378315285 158138247 /nfs/dbraw/zinc/13/82/47/158138247.db2.gz IJALEHPWCOQWOH-GDBMZVCRSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000378315285 158138248 /nfs/dbraw/zinc/13/82/48/158138248.db2.gz IJALEHPWCOQWOH-GDBMZVCRSA-N 2 2 335.448 1.524 20 0 EDADLP Cc1noc(C)c1CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378368073 158155511 /nfs/dbraw/zinc/15/55/11/158155511.db2.gz UCYQRYJLHQFKIR-ZDUSSCGKSA-N 2 2 334.464 1.461 20 0 EDADLP Cc1noc(C)c1CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378368073 158155514 /nfs/dbraw/zinc/15/55/14/158155514.db2.gz UCYQRYJLHQFKIR-ZDUSSCGKSA-N 2 2 334.464 1.461 20 0 EDADLP C[C@H]1CN(C(=O)COc2ccccc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378375140 158156422 /nfs/dbraw/zinc/15/64/22/158156422.db2.gz ZQBKGPYPLJKZEL-HNNXBMFYSA-N 2 2 349.450 1.831 20 0 EDADLP C[C@H]1CN(C(=O)COc2ccccc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378375140 158156424 /nfs/dbraw/zinc/15/64/24/158156424.db2.gz ZQBKGPYPLJKZEL-HNNXBMFYSA-N 2 2 349.450 1.831 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000341003074 286809590 /nfs/dbraw/zinc/80/95/90/286809590.db2.gz FVBLAGNNSAUSCR-ZDUSSCGKSA-N 2 2 335.473 1.800 20 0 EDADLP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1C ZINC000352488300 162208769 /nfs/dbraw/zinc/20/87/69/162208769.db2.gz OMOWWIMQYWKYGG-MJGOQNOKSA-N 2 2 344.503 1.460 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352520095 162226568 /nfs/dbraw/zinc/22/65/68/162226568.db2.gz VDBVMPSKKXQVFC-HDMKZQKVSA-N 2 2 348.466 1.371 20 0 EDADLP c1cn2c(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)c(C3CC3)nc2s1 ZINC000352546736 162244145 /nfs/dbraw/zinc/24/41/45/162244145.db2.gz ZPLUFLRFAVJUIZ-CQSZACIVSA-N 2 2 331.489 1.753 20 0 EDADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000352550696 162247558 /nfs/dbraw/zinc/24/75/58/162247558.db2.gz PEISLKDQVBUGMI-KRWDZBQOSA-N 2 2 335.492 1.303 20 0 EDADLP C[NH2+]CCCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000418279100 304473522 /nfs/dbraw/zinc/47/35/22/304473522.db2.gz NWXHHLLNGQVCGX-HNNXBMFYSA-N 2 2 334.464 1.693 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418287886 304474803 /nfs/dbraw/zinc/47/48/03/304474803.db2.gz VJAFYBOURZDRQZ-HNNXBMFYSA-N 2 2 326.485 1.400 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H](C)C[NH2+]C)CC2)s1 ZINC000418365278 304486450 /nfs/dbraw/zinc/48/64/50/304486450.db2.gz HVBIUHKKKWUBAH-CQSZACIVSA-N 2 2 338.521 1.993 20 0 EDADLP CC[NH+]1CCN(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000122406932 222080771 /nfs/dbraw/zinc/08/07/71/222080771.db2.gz MXKCPSJAAWZWAA-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(F)cn3)CC2)CC1 ZINC000122409796 222080811 /nfs/dbraw/zinc/08/08/11/222080811.db2.gz IYWGLZXPNACDHM-UHFFFAOYSA-N 2 2 335.427 1.901 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCc2ccccn2)C1 ZINC000123809818 222335950 /nfs/dbraw/zinc/33/59/50/222335950.db2.gz RKYWUXAGYZTKOD-SFHVURJKSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCc2ccccn2)C1 ZINC000123809818 222335954 /nfs/dbraw/zinc/33/59/54/222335954.db2.gz RKYWUXAGYZTKOD-SFHVURJKSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CCc2ccccn2)C1 ZINC000123809818 222335956 /nfs/dbraw/zinc/33/59/56/222335956.db2.gz RKYWUXAGYZTKOD-SFHVURJKSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccn2)C1 ZINC000123809818 222335960 /nfs/dbraw/zinc/33/59/60/222335960.db2.gz RKYWUXAGYZTKOD-SFHVURJKSA-N 2 2 348.491 1.029 20 0 EDADLP [NH3+]C[C@H](C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccccc1 ZINC000237822248 273013170 /nfs/dbraw/zinc/01/31/70/273013170.db2.gz RWUPMYCUIUEZAD-WMZOPIPTSA-N 2 2 349.500 1.053 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cnn(C)c1 ZINC000273349676 268032195 /nfs/dbraw/zinc/03/21/95/268032195.db2.gz YFGNSPABUVCSHH-CQSZACIVSA-N 2 2 347.488 1.477 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)cc[nH+]1 ZINC000274266091 268117569 /nfs/dbraw/zinc/11/75/69/268117569.db2.gz WEUAQULHGALJIO-CQSZACIVSA-N 2 2 344.463 1.267 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)CC2)cc[nH+]1 ZINC000274266091 268117573 /nfs/dbraw/zinc/11/75/73/268117573.db2.gz WEUAQULHGALJIO-CQSZACIVSA-N 2 2 344.463 1.267 20 0 EDADLP COc1cccc2c(N(C)C[C@H](O)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000275389613 268334992 /nfs/dbraw/zinc/33/49/92/268334992.db2.gz AOIREIWVYHBCHD-AWEZNQCLSA-N 2 2 331.416 1.373 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)[NH+]1CCCCCC1 ZINC000275528371 268355148 /nfs/dbraw/zinc/35/51/48/268355148.db2.gz CAJBQWQPVCMCQE-SJORKVTESA-N 2 2 345.491 1.774 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)[NH+]1CCCCCC1 ZINC000275528371 268355149 /nfs/dbraw/zinc/35/51/49/268355149.db2.gz CAJBQWQPVCMCQE-SJORKVTESA-N 2 2 345.491 1.774 20 0 EDADLP O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000273973977 273063760 /nfs/dbraw/zinc/06/37/60/273063760.db2.gz KCQLAPZDYWCYPJ-INIZCTEOSA-N 2 2 325.416 1.908 20 0 EDADLP O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000273973977 273063762 /nfs/dbraw/zinc/06/37/62/273063762.db2.gz KCQLAPZDYWCYPJ-INIZCTEOSA-N 2 2 325.416 1.908 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276140023 273152039 /nfs/dbraw/zinc/15/20/39/273152039.db2.gz YXKMXSDGFJWSQI-HUUCEWRRSA-N 2 2 333.480 1.676 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276140023 273152040 /nfs/dbraw/zinc/15/20/40/273152040.db2.gz YXKMXSDGFJWSQI-HUUCEWRRSA-N 2 2 333.480 1.676 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000279066230 273277832 /nfs/dbraw/zinc/27/78/32/273277832.db2.gz DPXCMYPVXYKMNX-GOSISDBHSA-N 2 2 347.503 1.729 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000279066230 273277834 /nfs/dbraw/zinc/27/78/34/273277834.db2.gz DPXCMYPVXYKMNX-GOSISDBHSA-N 2 2 347.503 1.729 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000279254202 273289491 /nfs/dbraw/zinc/28/94/91/273289491.db2.gz PUWUPHUVGHYFEX-WMZOPIPTSA-N 2 2 348.491 1.651 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](CC2CCOCC2)CC1 ZINC000280827567 273403628 /nfs/dbraw/zinc/40/36/28/273403628.db2.gz YTJFRSXPRKWJIV-UHFFFAOYSA-N 2 2 333.432 1.807 20 0 EDADLP C[NH2+][C@H]1CCCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000261792848 273974344 /nfs/dbraw/zinc/97/43/44/273974344.db2.gz QPJZRAZYKIYYFQ-ZDUSSCGKSA-N 2 2 337.493 1.361 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)nc2)C1 ZINC000284316952 274158603 /nfs/dbraw/zinc/15/86/03/274158603.db2.gz HQGYLZAWDOUQMG-YFCVBGDOSA-N 2 2 326.404 1.597 20 0 EDADLP CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000266798423 276221319 /nfs/dbraw/zinc/22/13/19/276221319.db2.gz CMSMGARXTFUPQR-MRXNPFEDSA-N 2 2 331.460 1.590 20 0 EDADLP CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000266798423 276221322 /nfs/dbraw/zinc/22/13/22/276221322.db2.gz CMSMGARXTFUPQR-MRXNPFEDSA-N 2 2 331.460 1.590 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000420288506 276277995 /nfs/dbraw/zinc/27/79/95/276277995.db2.gz IYBOXCRABYGAMI-HOCLYGCPSA-N 2 2 333.432 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000420288506 276277998 /nfs/dbraw/zinc/27/79/98/276277998.db2.gz IYBOXCRABYGAMI-HOCLYGCPSA-N 2 2 333.432 1.252 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCc4cccnc43)C2)CC1 ZINC000369729351 277027579 /nfs/dbraw/zinc/02/75/79/277027579.db2.gz JPLZUMLYQCZSFG-SJLPKXTDSA-N 2 2 342.487 1.786 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCc4cccnc43)C2)CC1 ZINC000369729351 277027582 /nfs/dbraw/zinc/02/75/82/277027582.db2.gz JPLZUMLYQCZSFG-SJLPKXTDSA-N 2 2 342.487 1.786 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000080646430 277045121 /nfs/dbraw/zinc/04/51/21/277045121.db2.gz LSWUDXFKKJPNFE-IAGOWNOFSA-N 2 2 345.491 1.389 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000080646430 277045122 /nfs/dbraw/zinc/04/51/22/277045122.db2.gz LSWUDXFKKJPNFE-IAGOWNOFSA-N 2 2 345.491 1.389 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000376996258 277210275 /nfs/dbraw/zinc/21/02/75/277210275.db2.gz VNRKLSSGLNJABJ-OALUTQOASA-N 2 2 343.471 1.790 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000376996258 277210277 /nfs/dbraw/zinc/21/02/77/277210277.db2.gz VNRKLSSGLNJABJ-OALUTQOASA-N 2 2 343.471 1.790 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000376996258 277210279 /nfs/dbraw/zinc/21/02/79/277210279.db2.gz VNRKLSSGLNJABJ-OALUTQOASA-N 2 2 343.471 1.790 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000376996258 277210281 /nfs/dbraw/zinc/21/02/81/277210281.db2.gz VNRKLSSGLNJABJ-OALUTQOASA-N 2 2 343.471 1.790 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000366136113 277228157 /nfs/dbraw/zinc/22/81/57/277228157.db2.gz LXSFZGFAYQAZSH-MCIONIFRSA-N 2 2 335.452 1.018 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000366136113 277228158 /nfs/dbraw/zinc/22/81/58/277228158.db2.gz LXSFZGFAYQAZSH-MCIONIFRSA-N 2 2 335.452 1.018 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155149711 277322822 /nfs/dbraw/zinc/32/28/22/277322822.db2.gz XHNDTCPDJBLDFX-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155149711 277322823 /nfs/dbraw/zinc/32/28/23/277322823.db2.gz XHNDTCPDJBLDFX-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP COc1ccccc1N1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422850144 278054550 /nfs/dbraw/zinc/05/45/50/278054550.db2.gz MYGWTUIYYQDOBF-UIAACRFSSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000185665202 278325031 /nfs/dbraw/zinc/32/50/31/278325031.db2.gz LDWZBSBQHIWQQX-HZPDHXFCSA-N 2 2 340.512 1.517 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261692796 279232479 /nfs/dbraw/zinc/23/24/79/279232479.db2.gz KSPLZBKAYQRFGF-KXBFYZLASA-N 2 2 347.459 1.346 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261692796 279232481 /nfs/dbraw/zinc/23/24/81/279232481.db2.gz KSPLZBKAYQRFGF-KXBFYZLASA-N 2 2 347.459 1.346 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000112201798 279241311 /nfs/dbraw/zinc/24/13/11/279241311.db2.gz ZGVZZNAXJMSYGC-IAGOWNOFSA-N 2 2 349.519 1.820 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000112201798 279241313 /nfs/dbraw/zinc/24/13/13/279241313.db2.gz ZGVZZNAXJMSYGC-IAGOWNOFSA-N 2 2 349.519 1.820 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000351953462 279350069 /nfs/dbraw/zinc/35/00/69/279350069.db2.gz HABPHDDILYNBKF-HUUCEWRRSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000351953462 279350070 /nfs/dbraw/zinc/35/00/70/279350070.db2.gz HABPHDDILYNBKF-HUUCEWRRSA-N 2 2 339.459 1.131 20 0 EDADLP Cc1[nH]nc2ncc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc12 ZINC000369275886 280192658 /nfs/dbraw/zinc/19/26/58/280192658.db2.gz ZLFOOCOTQABQPU-AWEZNQCLSA-N 2 2 342.447 1.165 20 0 EDADLP Cc1[nH]nc2ncc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc12 ZINC000369275886 280192660 /nfs/dbraw/zinc/19/26/60/280192660.db2.gz ZLFOOCOTQABQPU-AWEZNQCLSA-N 2 2 342.447 1.165 20 0 EDADLP Cc1nc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c2c([nH+]1)CCCC2 ZINC000371619955 282010124 /nfs/dbraw/zinc/01/01/24/282010124.db2.gz VDAJVQBXNGKTGX-QGZVFWFLSA-N 2 2 343.475 1.455 20 0 EDADLP C[NH+](C)C1(C(=O)N2CC[NH+](C3CCC3)CC2)Cc2ccccc2C1 ZINC000377966887 282025594 /nfs/dbraw/zinc/02/55/94/282025594.db2.gz YXDBVXXTLWCBHD-UHFFFAOYSA-N 2 2 327.472 1.782 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000289597427 288739423 /nfs/dbraw/zinc/73/94/23/288739423.db2.gz ABXCWPIFDLXOFW-SQWLQELKSA-N 2 2 332.448 1.311 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000289758129 288774061 /nfs/dbraw/zinc/77/40/61/288774061.db2.gz HUONLBBVRSVOKN-WFASDCNBSA-N 2 2 330.388 1.330 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H](C)OC ZINC000291346412 289042369 /nfs/dbraw/zinc/04/23/69/289042369.db2.gz XHWJZDSUDJMXJG-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H](C)OC ZINC000291346412 289042371 /nfs/dbraw/zinc/04/23/71/289042371.db2.gz XHWJZDSUDJMXJG-KRWDZBQOSA-N 2 2 333.476 1.688 20 0 EDADLP C[C@@]1(C[NH3+])CCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000261651815 289163024 /nfs/dbraw/zinc/16/30/24/289163024.db2.gz HKIUKICCPZGZHQ-INIZCTEOSA-N 2 2 337.493 1.348 20 0 EDADLP C[C@@H](CNc1[nH+]cnc2c1c(Br)nn2C)C[NH+](C)C ZINC000291900813 289210159 /nfs/dbraw/zinc/21/01/59/289210159.db2.gz PXQWGHODIUIYSL-QMMMGPOBSA-N 2 2 327.230 1.735 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)CC[C@H]3CC[NH2+]C3)CCCC2)no1 ZINC000261914828 289226788 /nfs/dbraw/zinc/22/67/88/289226788.db2.gz WVTIOSACCKEHSB-ZDUSSCGKSA-N 2 2 335.452 1.406 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)[nH+]c2c1 ZINC000292001559 289236463 /nfs/dbraw/zinc/23/64/63/289236463.db2.gz RJMUZGNCYAEHIE-SFHVURJKSA-N 2 2 327.432 1.880 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)[nH+]c2c1 ZINC000292001559 289236464 /nfs/dbraw/zinc/23/64/64/289236464.db2.gz RJMUZGNCYAEHIE-SFHVURJKSA-N 2 2 327.432 1.880 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000292009031 289237411 /nfs/dbraw/zinc/23/74/11/289237411.db2.gz XXMNYVUQCPIXOF-UHFFFAOYSA-N 2 2 343.475 1.980 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000292046615 289247434 /nfs/dbraw/zinc/24/74/34/289247434.db2.gz FRKFITROAMBORK-QAPCUYQASA-N 2 2 343.475 1.660 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000292046615 289247437 /nfs/dbraw/zinc/24/74/37/289247437.db2.gz FRKFITROAMBORK-QAPCUYQASA-N 2 2 343.475 1.660 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292138014 289270913 /nfs/dbraw/zinc/27/09/13/289270913.db2.gz MAMFKVVAMJICQF-JXFKEZNVSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292138014 289270914 /nfs/dbraw/zinc/27/09/14/289270914.db2.gz MAMFKVVAMJICQF-JXFKEZNVSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292138014 289270915 /nfs/dbraw/zinc/27/09/15/289270915.db2.gz MAMFKVVAMJICQF-JXFKEZNVSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292138014 289270916 /nfs/dbraw/zinc/27/09/16/289270916.db2.gz MAMFKVVAMJICQF-JXFKEZNVSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)c[nH+]2)CCO1 ZINC000292166508 289278841 /nfs/dbraw/zinc/27/88/41/289278841.db2.gz VOJHMYMCHCRVDT-ZBFHGGJFSA-N 2 2 332.448 1.455 20 0 EDADLP Cc1cncc(CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000292168306 289280010 /nfs/dbraw/zinc/28/00/10/289280010.db2.gz GDWPZINHDDOJPJ-UHFFFAOYSA-N 2 2 332.492 1.807 20 0 EDADLP Cc1cncc(CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000292168306 289280013 /nfs/dbraw/zinc/28/00/13/289280013.db2.gz GDWPZINHDDOJPJ-UHFFFAOYSA-N 2 2 332.492 1.807 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C ZINC000359505888 290110987 /nfs/dbraw/zinc/11/09/87/290110987.db2.gz LGWNKECFHAMOMS-HOTGVXAUSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C ZINC000359505888 290110989 /nfs/dbraw/zinc/11/09/89/290110989.db2.gz LGWNKECFHAMOMS-HOTGVXAUSA-N 2 2 342.443 1.459 20 0 EDADLP Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000247088514 294251746 /nfs/dbraw/zinc/25/17/46/294251746.db2.gz NUEAEGSECUQXDY-NVXWUHKLSA-N 2 2 331.464 1.476 20 0 EDADLP Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000247088514 294251750 /nfs/dbraw/zinc/25/17/50/294251750.db2.gz NUEAEGSECUQXDY-NVXWUHKLSA-N 2 2 331.464 1.476 20 0 EDADLP NC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028080 295142328 /nfs/dbraw/zinc/14/23/28/295142328.db2.gz MLXNCZSVMJFBEY-KRWDZBQOSA-N 2 2 335.423 1.396 20 0 EDADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)[nH]1 ZINC000262898222 295279273 /nfs/dbraw/zinc/27/92/73/295279273.db2.gz XMJJRIOGQWCXTD-YUELXQCFSA-N 2 2 340.431 1.790 20 0 EDADLP COCC[NH2+]CCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418515177 304507340 /nfs/dbraw/zinc/50/73/40/304507340.db2.gz XTEJJPPGOHHVKM-UHFFFAOYSA-N 2 2 337.468 1.321 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+]1CCSCC1 ZINC000344733876 298049945 /nfs/dbraw/zinc/04/99/45/298049945.db2.gz WBTAOHCORFMRAQ-HUUCEWRRSA-N 2 2 325.522 1.757 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+]1CCSCC1 ZINC000344733876 298049947 /nfs/dbraw/zinc/04/99/47/298049947.db2.gz WBTAOHCORFMRAQ-HUUCEWRRSA-N 2 2 325.522 1.757 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@](C)(O)C3CC3)CC2)CC1 ZINC000422024751 447313758 /nfs/dbraw/zinc/31/37/58/447313758.db2.gz QZWXJGAAKWSIOF-LJQANCHMSA-N 2 2 337.508 1.556 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@](C)(O)C3CC3)CC2)CC1 ZINC000422024751 447313764 /nfs/dbraw/zinc/31/37/64/447313764.db2.gz QZWXJGAAKWSIOF-LJQANCHMSA-N 2 2 337.508 1.556 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423352677 301201722 /nfs/dbraw/zinc/20/17/22/301201722.db2.gz AEPLUHBLPRIFIN-XEGUGMAKSA-N 2 2 325.478 1.599 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420020157 304727584 /nfs/dbraw/zinc/72/75/84/304727584.db2.gz RYLYIJZTNQVRMR-KGLIPLIRSA-N 2 2 335.452 1.056 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCCCOC1CCCCC1 ZINC000420373163 304752581 /nfs/dbraw/zinc/75/25/81/304752581.db2.gz QWEORVVWDWTRIE-VKJFTORMSA-N 2 2 325.497 1.818 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000416882697 301791051 /nfs/dbraw/zinc/79/10/51/301791051.db2.gz IMZVWVQKOCWFFT-IRXDYDNUSA-N 2 2 332.448 1.111 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000294350141 303095628 /nfs/dbraw/zinc/09/56/28/303095628.db2.gz UQLXBBBXQHTZDG-CVEARBPZSA-N 2 2 348.447 1.267 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)C2)C1 ZINC000294351395 303096026 /nfs/dbraw/zinc/09/60/26/303096026.db2.gz YKJIQPZOKCKVCI-SFHVURJKSA-N 2 2 325.416 1.825 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)C2)C1 ZINC000294351395 303096028 /nfs/dbraw/zinc/09/60/28/303096028.db2.gz YKJIQPZOKCKVCI-SFHVURJKSA-N 2 2 325.416 1.825 20 0 EDADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccnc1N ZINC000295280119 303198635 /nfs/dbraw/zinc/19/86/35/303198635.db2.gz KNCJVMLKOAJXQT-UHFFFAOYSA-N 2 2 339.487 1.913 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccnc1N ZINC000295280119 303198637 /nfs/dbraw/zinc/19/86/37/303198637.db2.gz KNCJVMLKOAJXQT-UHFFFAOYSA-N 2 2 339.487 1.913 20 0 EDADLP COC(=O)COC[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000295588805 303238529 /nfs/dbraw/zinc/23/85/29/303238529.db2.gz FANSDOVGUJSMPP-HIFRSBDPSA-N 2 2 336.436 1.212 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)nn1 ZINC000295908479 303282183 /nfs/dbraw/zinc/28/21/83/303282183.db2.gz ZJXTWSGYQMAMTN-OAHLLOKOSA-N 2 2 345.447 1.451 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)nn1 ZINC000295908479 303282185 /nfs/dbraw/zinc/28/21/85/303282185.db2.gz ZJXTWSGYQMAMTN-OAHLLOKOSA-N 2 2 345.447 1.451 20 0 EDADLP Cc1ccnc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000297188065 303370232 /nfs/dbraw/zinc/37/02/32/303370232.db2.gz BWDASBXAGQVWGC-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP Cc1ccnc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000297188065 303370233 /nfs/dbraw/zinc/37/02/33/303370233.db2.gz BWDASBXAGQVWGC-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cnc3ccccc3c2)CC1 ZINC000297251399 303378259 /nfs/dbraw/zinc/37/82/59/303378259.db2.gz AZIKGGQDFOUNNE-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP CC(C)(CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C[NH+]1CCCC1 ZINC000299557325 303628296 /nfs/dbraw/zinc/62/82/96/303628296.db2.gz GLUVJFKGIYACQJ-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000301803920 303696333 /nfs/dbraw/zinc/69/63/33/303696333.db2.gz DIUWWGDDQGVMBK-HNNXBMFYSA-N 2 2 328.420 1.129 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC000301983860 303706094 /nfs/dbraw/zinc/70/60/94/303706094.db2.gz RTRRLUSJFNZWSJ-UKRRQHHQSA-N 2 2 328.420 1.128 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H](C)O1 ZINC000448628176 447336751 /nfs/dbraw/zinc/33/67/51/447336751.db2.gz QKJLHPVEDQYCIA-HUUCEWRRSA-N 2 2 343.431 1.496 20 0 EDADLP Cc1c(Cl)c(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)nn1C ZINC000421334539 304799739 /nfs/dbraw/zinc/79/97/39/304799739.db2.gz QATJLWFTTQMBOK-OAHLLOKOSA-N 2 2 327.904 1.744 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422587050 304873159 /nfs/dbraw/zinc/87/31/59/304873159.db2.gz HHONXAQPXQWYNA-UHFFFAOYSA-N 2 2 346.475 1.649 20 0 EDADLP O=C1CCCN1Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422707773 304879060 /nfs/dbraw/zinc/87/90/60/304879060.db2.gz AVNMUQDDKOQORO-UYAOXDASSA-N 2 2 343.471 1.666 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000423433796 304896203 /nfs/dbraw/zinc/89/62/03/304896203.db2.gz PQPMEOFUNYTMSK-KBAYOESNSA-N 2 2 345.487 1.892 20 0 EDADLP C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000423978261 304921917 /nfs/dbraw/zinc/92/19/17/304921917.db2.gz OFUQHOFMDUKQDK-KEYYUXOJSA-N 2 2 334.439 1.142 20 0 EDADLP COc1cc(NC(=O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc(OC)c1 ZINC000425361346 304961738 /nfs/dbraw/zinc/96/17/38/304961738.db2.gz ZBGNSPIVMURQBZ-UHFFFAOYSA-N 2 2 333.432 1.859 20 0 EDADLP O=C(C[C@@H]1CC[NH2+]C1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000427322957 304988561 /nfs/dbraw/zinc/98/85/61/304988561.db2.gz VOLBVKWCYXEKMC-JTQLQIEISA-N 2 2 337.221 1.713 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041954 305005161 /nfs/dbraw/zinc/00/51/61/305005161.db2.gz AMIAXDUKTPVRCW-FPCVCCKLSA-N 2 2 345.443 1.015 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041954 305005162 /nfs/dbraw/zinc/00/51/62/305005162.db2.gz AMIAXDUKTPVRCW-FPCVCCKLSA-N 2 2 345.443 1.015 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428050819 305005734 /nfs/dbraw/zinc/00/57/34/305005734.db2.gz UBGHJUSQXJPTCX-SJLPKXTDSA-N 2 2 331.460 1.775 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428050819 305005735 /nfs/dbraw/zinc/00/57/35/305005735.db2.gz UBGHJUSQXJPTCX-SJLPKXTDSA-N 2 2 331.460 1.775 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)CC1 ZINC000428930049 305020194 /nfs/dbraw/zinc/02/01/94/305020194.db2.gz WHOQOETYPXMEOK-GFCCVEGCSA-N 2 2 337.386 1.192 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)CC1 ZINC000428930049 305020195 /nfs/dbraw/zinc/02/01/95/305020195.db2.gz WHOQOETYPXMEOK-GFCCVEGCSA-N 2 2 337.386 1.192 20 0 EDADLP CCCOc1cccnc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000429779534 305036984 /nfs/dbraw/zinc/03/69/84/305036984.db2.gz NGOPNDFJHBWKPK-UHFFFAOYSA-N 2 2 348.491 1.968 20 0 EDADLP CCCOc1cccnc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000429779534 305036985 /nfs/dbraw/zinc/03/69/85/305036985.db2.gz NGOPNDFJHBWKPK-UHFFFAOYSA-N 2 2 348.491 1.968 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430568085 305056226 /nfs/dbraw/zinc/05/62/26/305056226.db2.gz GZLGJABBRSSVGX-IRXDYDNUSA-N 2 2 333.476 1.858 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430568085 305056227 /nfs/dbraw/zinc/05/62/27/305056227.db2.gz GZLGJABBRSSVGX-IRXDYDNUSA-N 2 2 333.476 1.858 20 0 EDADLP C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C[NH3+] ZINC000430580734 305056886 /nfs/dbraw/zinc/05/68/86/305056886.db2.gz SJJBPMNELNTQKQ-SJORKVTESA-N 3 2 345.491 1.180 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C[NH3+] ZINC000430580734 305056887 /nfs/dbraw/zinc/05/68/87/305056887.db2.gz SJJBPMNELNTQKQ-SJORKVTESA-N 3 2 345.491 1.180 20 0 EDADLP C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)[C@H]1C[NH3+] ZINC000430580734 305056888 /nfs/dbraw/zinc/05/68/88/305056888.db2.gz SJJBPMNELNTQKQ-SJORKVTESA-N 2 2 345.491 1.180 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)[C@H]1C[NH3+] ZINC000430580734 305056889 /nfs/dbraw/zinc/05/68/89/305056889.db2.gz SJJBPMNELNTQKQ-SJORKVTESA-N 2 2 345.491 1.180 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])CC2 ZINC000430587551 305057349 /nfs/dbraw/zinc/05/73/49/305057349.db2.gz WHTIOUSWHJCPCU-UHFFFAOYSA-N 2 2 349.475 1.505 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])CC2 ZINC000430587551 305057350 /nfs/dbraw/zinc/05/73/50/305057350.db2.gz WHTIOUSWHJCPCU-UHFFFAOYSA-N 2 2 349.475 1.505 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430604025 305058128 /nfs/dbraw/zinc/05/81/28/305058128.db2.gz ZYGHBUMFZSKHSP-KBPBESRZSA-N 2 2 347.488 1.991 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430604025 305058129 /nfs/dbraw/zinc/05/81/29/305058129.db2.gz ZYGHBUMFZSKHSP-KBPBESRZSA-N 2 2 347.488 1.991 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430609871 305058796 /nfs/dbraw/zinc/05/87/96/305058796.db2.gz IWOQTKDDAHASCY-CYBMUJFWSA-N 2 2 332.473 1.626 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430609871 305058797 /nfs/dbraw/zinc/05/87/97/305058797.db2.gz IWOQTKDDAHASCY-CYBMUJFWSA-N 2 2 332.473 1.626 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000430638463 305060733 /nfs/dbraw/zinc/06/07/33/305060733.db2.gz NICODIYPAXATDC-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)CCOc2ccccc2F)C1 ZINC000430638463 305060734 /nfs/dbraw/zinc/06/07/34/305060734.db2.gz NICODIYPAXATDC-HNNXBMFYSA-N 2 2 337.439 1.594 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000430833638 305065474 /nfs/dbraw/zinc/06/54/74/305065474.db2.gz RODUKACDSHZDCP-BZSNNMDCSA-N 2 2 331.460 1.612 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC[C@H]1[NH3+] ZINC000430918227 305067875 /nfs/dbraw/zinc/06/78/75/305067875.db2.gz MCVQTBOVTDXVNP-SXUGBLPRSA-N 2 2 348.491 1.450 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC[C@H]1[NH3+] ZINC000430918227 305067876 /nfs/dbraw/zinc/06/78/76/305067876.db2.gz MCVQTBOVTDXVNP-SXUGBLPRSA-N 2 2 348.491 1.450 20 0 EDADLP C[NH2+]C1CC[NH+](CC(=O)N(Cc2ccc(OC)cc2)C2CC2)CC1 ZINC000430926215 305068642 /nfs/dbraw/zinc/06/86/42/305068642.db2.gz MWWWKNQWKDFJGI-UHFFFAOYSA-N 2 2 331.460 1.870 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430963031 305071301 /nfs/dbraw/zinc/07/13/01/305071301.db2.gz RVHBRTCEQSVHAI-KGLIPLIRSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430963031 305071302 /nfs/dbraw/zinc/07/13/02/305071302.db2.gz RVHBRTCEQSVHAI-KGLIPLIRSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC[C@H]1[NH3+] ZINC000430974415 305071785 /nfs/dbraw/zinc/07/17/85/305071785.db2.gz ZHSVKGSCXGEXAT-GOEBONIOSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)CC[C@H]1[NH3+] ZINC000430974415 305071786 /nfs/dbraw/zinc/07/17/86/305071786.db2.gz ZHSVKGSCXGEXAT-GOEBONIOSA-N 2 2 331.464 1.680 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432115534 305087382 /nfs/dbraw/zinc/08/73/82/305087382.db2.gz NCNPOGAIXRMRAL-OAHLLOKOSA-N 2 2 334.464 1.470 20 0 EDADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432115534 305087383 /nfs/dbraw/zinc/08/73/83/305087383.db2.gz NCNPOGAIXRMRAL-OAHLLOKOSA-N 2 2 334.464 1.470 20 0 EDADLP [NH3+]C1CC[NH+](CCCC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000433112329 305100468 /nfs/dbraw/zinc/10/04/68/305100468.db2.gz AAKPLNRHQLDPTH-UHFFFAOYSA-N 3 2 349.866 1.807 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000434092618 305117750 /nfs/dbraw/zinc/11/77/50/305117750.db2.gz QNJVTQPQCVPJGZ-IAGOWNOFSA-N 2 2 340.512 1.469 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000435378038 305139387 /nfs/dbraw/zinc/13/93/87/305139387.db2.gz GRFSPYVKFYCESR-MRXNPFEDSA-N 2 2 347.459 1.620 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000435378038 305139388 /nfs/dbraw/zinc/13/93/88/305139388.db2.gz GRFSPYVKFYCESR-MRXNPFEDSA-N 2 2 347.459 1.620 20 0 EDADLP CCc1ocnc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435558967 305142241 /nfs/dbraw/zinc/14/22/41/305142241.db2.gz HBSUJPCIFXEIEN-AWEZNQCLSA-N 2 2 343.431 1.755 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C1CC(F)(F)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435557559 305142270 /nfs/dbraw/zinc/14/22/70/305142270.db2.gz JEKOVHAKRWJIHI-CYBMUJFWSA-N 2 2 338.402 1.936 20 0 EDADLP C[N@H+](CC(=O)NCCCOc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435610182 305143283 /nfs/dbraw/zinc/14/32/83/305143283.db2.gz HDFSVUWUPUOXSM-OAHLLOKOSA-N 2 2 337.439 1.785 20 0 EDADLP C[N@@H+](CC(=O)NCCCOc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435610182 305143284 /nfs/dbraw/zinc/14/32/84/305143284.db2.gz HDFSVUWUPUOXSM-OAHLLOKOSA-N 2 2 337.439 1.785 20 0 EDADLP C[N@H+](CC(=O)NCCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435616905 305143536 /nfs/dbraw/zinc/14/35/36/305143536.db2.gz UOENJIUSQGMZLU-OAHLLOKOSA-N 2 2 339.867 1.909 20 0 EDADLP C[N@@H+](CC(=O)NCCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435616905 305143537 /nfs/dbraw/zinc/14/35/37/305143537.db2.gz UOENJIUSQGMZLU-OAHLLOKOSA-N 2 2 339.867 1.909 20 0 EDADLP Cn1ncc2c1nc(N1CC[C@H](OCC[NH+]3CCCCC3)C1)[nH+]c2N ZINC000436390837 305156598 /nfs/dbraw/zinc/15/65/98/305156598.db2.gz QGBWLTCCNHXYIX-ZDUSSCGKSA-N 2 2 345.451 1.027 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440819656 305213021 /nfs/dbraw/zinc/21/30/21/305213021.db2.gz CWWYUPRTXPCSQF-SNVBAGLBSA-N 2 2 333.358 1.106 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440819656 305213022 /nfs/dbraw/zinc/21/30/22/305213022.db2.gz CWWYUPRTXPCSQF-SNVBAGLBSA-N 2 2 333.358 1.106 20 0 EDADLP CCN1C[C@H](C)[N@H+](CC(O)CN2C[C@H](C)[NH+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316136 305278111 /nfs/dbraw/zinc/27/81/11/305278111.db2.gz WECARWZHNXHBFB-XSLAGTTESA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[N@@H+](CC(O)CN2C[C@H](C)[NH+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316136 305278112 /nfs/dbraw/zinc/27/81/12/305278112.db2.gz WECARWZHNXHBFB-XSLAGTTESA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[NH+](CC(O)CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316136 305278113 /nfs/dbraw/zinc/27/81/13/305278113.db2.gz WECARWZHNXHBFB-XSLAGTTESA-N 2 2 340.556 1.176 20 0 EDADLP CCN1C[C@H](C)[NH+](CC(O)CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316136 305278114 /nfs/dbraw/zinc/27/81/14/305278114.db2.gz WECARWZHNXHBFB-XSLAGTTESA-N 2 2 340.556 1.176 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000448208822 305293784 /nfs/dbraw/zinc/29/37/84/305293784.db2.gz LJTHCJJDWCUYBM-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000448208822 305293785 /nfs/dbraw/zinc/29/37/85/305293785.db2.gz LJTHCJJDWCUYBM-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000448208822 305293786 /nfs/dbraw/zinc/29/37/86/305293786.db2.gz LJTHCJJDWCUYBM-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000448208822 305293787 /nfs/dbraw/zinc/29/37/87/305293787.db2.gz LJTHCJJDWCUYBM-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP COCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000449323236 305311505 /nfs/dbraw/zinc/31/15/05/305311505.db2.gz SXDUYWKXNCTNJL-CSRJKQTDSA-N 2 2 337.508 1.865 20 0 EDADLP COCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000449323236 305311506 /nfs/dbraw/zinc/31/15/06/305311506.db2.gz SXDUYWKXNCTNJL-CSRJKQTDSA-N 2 2 337.508 1.865 20 0 EDADLP CO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000451490510 305349318 /nfs/dbraw/zinc/34/93/18/305349318.db2.gz IDFQWMCXTSQWMF-BZUAXINKSA-N 2 2 346.475 1.522 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nsc(N(C)C)n2)CC1 ZINC000451980515 305375930 /nfs/dbraw/zinc/37/59/30/305375930.db2.gz HPYJPEICTFUOEB-UHFFFAOYSA-N 2 2 326.514 1.110 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[NH+](C)C ZINC000455441215 305441821 /nfs/dbraw/zinc/44/18/21/305441821.db2.gz MJLKMBCOYVKPJS-JEJOPICUSA-N 2 2 330.476 1.977 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C\c2ccc3c(c2)CCO3)CC1 ZINC000492039539 305583646 /nfs/dbraw/zinc/58/36/46/305583646.db2.gz AGNORPSDOZWHJO-XQRVVYSFSA-N 2 2 343.471 1.777 20 0 EDADLP CCOC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000496565399 305669074 /nfs/dbraw/zinc/66/90/74/305669074.db2.gz ONEZRIQACXHLEF-HNNXBMFYSA-N 2 2 341.452 1.224 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000514782627 305705322 /nfs/dbraw/zinc/70/53/22/305705322.db2.gz VYFAXSSXAAAFLL-HUUCEWRRSA-N 2 2 332.448 1.733 20 0 EDADLP O=C(CSCC1CC[NH2+]CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000516766278 305741284 /nfs/dbraw/zinc/74/12/84/305741284.db2.gz FWQGOEQPLBHAJI-UHFFFAOYSA-N 2 2 337.489 1.657 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CC1 ZINC000516857285 305742899 /nfs/dbraw/zinc/74/28/99/305742899.db2.gz VCIGZNMITYQEIC-HRCADAONSA-N 2 2 331.464 1.902 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)O ZINC000422129197 447363197 /nfs/dbraw/zinc/36/31/97/447363197.db2.gz ILKRTXZEPTWQSS-NVXWUHKLSA-N 2 2 325.497 1.412 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)O ZINC000422129197 447363201 /nfs/dbraw/zinc/36/32/01/447363201.db2.gz ILKRTXZEPTWQSS-NVXWUHKLSA-N 2 2 325.497 1.412 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000530220286 305934499 /nfs/dbraw/zinc/93/44/99/305934499.db2.gz NGVKMKGKSNQLGE-XJKSGUPXSA-N 2 2 337.489 1.872 20 0 EDADLP [NH3+]CC1(O)CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000530227185 305934920 /nfs/dbraw/zinc/93/49/20/305934920.db2.gz VOBSBRNVHRWJBX-AWEZNQCLSA-N 2 2 341.814 1.370 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)[nH]c1C ZINC000449124475 447363737 /nfs/dbraw/zinc/36/37/37/447363737.db2.gz PFADPVCRRJYTSP-INIZCTEOSA-N 2 2 337.464 1.682 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc3c(c2)CCO3)CC1 ZINC000533978425 306002860 /nfs/dbraw/zinc/00/28/60/306002860.db2.gz AVONHVMKHGSPFU-UHFFFAOYSA-N 2 2 346.475 1.447 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000536068843 306019373 /nfs/dbraw/zinc/01/93/73/306019373.db2.gz NAIDBLWWCGGWQA-OAHLLOKOSA-N 2 2 328.416 1.534 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000536068843 306019374 /nfs/dbraw/zinc/01/93/74/306019374.db2.gz NAIDBLWWCGGWQA-OAHLLOKOSA-N 2 2 328.416 1.534 20 0 EDADLP Cc1[nH]nc2ncc(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cc12 ZINC000536656847 306024710 /nfs/dbraw/zinc/02/47/10/306024710.db2.gz PMTOUHPSMSHYNI-QGZVFWFLSA-N 2 2 342.491 1.868 20 0 EDADLP Cc1[nH]nc2ncc(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cc12 ZINC000536656847 306024711 /nfs/dbraw/zinc/02/47/11/306024711.db2.gz PMTOUHPSMSHYNI-QGZVFWFLSA-N 2 2 342.491 1.868 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCOCC1 ZINC000542157608 306051695 /nfs/dbraw/zinc/05/16/95/306051695.db2.gz WFASRNPORAOOHK-CVEARBPZSA-N 2 2 334.464 1.706 20 0 EDADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543396476 306063443 /nfs/dbraw/zinc/06/34/43/306063443.db2.gz IGDPFJKGEFUBED-MRXNPFEDSA-N 2 2 349.460 1.089 20 0 EDADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543396476 306063444 /nfs/dbraw/zinc/06/34/44/306063444.db2.gz IGDPFJKGEFUBED-MRXNPFEDSA-N 2 2 349.460 1.089 20 0 EDADLP CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000544606044 306077253 /nfs/dbraw/zinc/07/72/53/306077253.db2.gz GBJUXLXQTSBOOK-ZFWWWQNUSA-N 2 2 329.510 1.263 20 0 EDADLP CCS(=O)(=O)N1CCC(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000544606044 306077254 /nfs/dbraw/zinc/07/72/54/306077254.db2.gz GBJUXLXQTSBOOK-ZFWWWQNUSA-N 2 2 329.510 1.263 20 0 EDADLP O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000544940315 306079839 /nfs/dbraw/zinc/07/98/39/306079839.db2.gz IGVDLTZMSNVAHQ-ZDUSSCGKSA-N 2 2 331.445 1.970 20 0 EDADLP O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000544940315 306079840 /nfs/dbraw/zinc/07/98/40/306079840.db2.gz IGVDLTZMSNVAHQ-ZDUSSCGKSA-N 2 2 331.445 1.970 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000545954305 306088365 /nfs/dbraw/zinc/08/83/65/306088365.db2.gz FVTUQLRRIYELOY-KGLIPLIRSA-N 2 2 327.428 1.888 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000545954305 306088366 /nfs/dbraw/zinc/08/83/66/306088366.db2.gz FVTUQLRRIYELOY-KGLIPLIRSA-N 2 2 327.428 1.888 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000547274125 306097457 /nfs/dbraw/zinc/09/74/57/306097457.db2.gz XFUNJMZUOLSXKL-UHFFFAOYSA-N 2 2 327.432 1.828 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000547274125 306097458 /nfs/dbraw/zinc/09/74/58/306097458.db2.gz XFUNJMZUOLSXKL-UHFFFAOYSA-N 2 2 327.432 1.828 20 0 EDADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000547654759 306106767 /nfs/dbraw/zinc/10/67/67/306106767.db2.gz YHJFSUIQTRXAQS-ZFWWWQNUSA-N 2 2 348.472 1.799 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548017150 306117671 /nfs/dbraw/zinc/11/76/71/306117671.db2.gz DGDOOBVDLKTJGZ-ZNMIVQPWSA-N 2 2 334.468 1.281 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548017150 306117672 /nfs/dbraw/zinc/11/76/72/306117672.db2.gz DGDOOBVDLKTJGZ-ZNMIVQPWSA-N 2 2 334.468 1.281 20 0 EDADLP CC(=O)N1CCC([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000548947042 306142628 /nfs/dbraw/zinc/14/26/28/306142628.db2.gz VVGUGJLPTRGWFP-KRWDZBQOSA-N 2 2 344.459 1.615 20 0 EDADLP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000553340696 306184436 /nfs/dbraw/zinc/18/44/36/306184436.db2.gz SRPFILAOSJODEU-AWEZNQCLSA-N 3 2 349.504 1.209 20 0 EDADLP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)c1ccc2c(c1)OCCO2 ZINC000555880927 306206733 /nfs/dbraw/zinc/20/67/33/306206733.db2.gz ZQFDYEQRCSSNQE-JKSUJKDBSA-N 2 2 338.448 1.438 20 0 EDADLP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)c1ccc2c(c1)OCCO2 ZINC000555880927 306206734 /nfs/dbraw/zinc/20/67/34/306206734.db2.gz ZQFDYEQRCSSNQE-JKSUJKDBSA-N 2 2 338.448 1.438 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000556833091 306219560 /nfs/dbraw/zinc/21/95/60/306219560.db2.gz WVJHGPDSRZCFSK-SFHVURJKSA-N 2 2 340.427 1.214 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000556833091 306219561 /nfs/dbraw/zinc/21/95/61/306219561.db2.gz WVJHGPDSRZCFSK-SFHVURJKSA-N 2 2 340.427 1.214 20 0 EDADLP CC(C)(CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000557137572 306224836 /nfs/dbraw/zinc/22/48/36/306224836.db2.gz ZIWGHKILWYBLRG-CQSZACIVSA-N 2 2 326.485 1.175 20 0 EDADLP CCC1(CC)[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[C@@H](C)[C@@H]1OC ZINC000557185439 306225698 /nfs/dbraw/zinc/22/56/98/306225698.db2.gz CUEAZJRGEBTTDA-BARDWOONSA-N 2 2 326.485 1.110 20 0 EDADLP CCC1(CC)[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@@H](C)[C@@H]1OC ZINC000557185439 306225699 /nfs/dbraw/zinc/22/56/99/306225699.db2.gz CUEAZJRGEBTTDA-BARDWOONSA-N 2 2 326.485 1.110 20 0 EDADLP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000557216907 306226720 /nfs/dbraw/zinc/22/67/20/306226720.db2.gz IJLMKFBQKISJBG-INIZCTEOSA-N 2 2 331.464 1.299 20 0 EDADLP COC[C@]1(C[NH2+]Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CCC[NH2+]1 ZINC000414947108 447369019 /nfs/dbraw/zinc/36/90/19/447369019.db2.gz UNBXMWFIZBPRCX-KBXCAEBGSA-N 2 2 336.432 1.485 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nnc(C2CC2)s1 ZINC000665151920 453592646 /nfs/dbraw/zinc/59/26/46/453592646.db2.gz BRQHVZCKOVIXFK-UHFFFAOYSA-N 2 2 340.497 1.098 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nnc(C2CC2)s1 ZINC000665151920 453592672 /nfs/dbraw/zinc/59/26/72/453592672.db2.gz BRQHVZCKOVIXFK-UHFFFAOYSA-N 2 2 340.497 1.098 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@@]2(C)CC[NH2+]C2)cc[nH+]1 ZINC000415113610 447390333 /nfs/dbraw/zinc/39/03/33/447390333.db2.gz WSIFNGCRVDMTSH-ZQIUZPCESA-N 3 2 336.459 1.049 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000422206960 447403228 /nfs/dbraw/zinc/40/32/28/447403228.db2.gz LNYGIIHSUQIDKO-RDJZCZTQSA-N 2 2 334.464 1.685 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@H+]1C[C@H](C)O ZINC000422206960 447403234 /nfs/dbraw/zinc/40/32/34/447403234.db2.gz LNYGIIHSUQIDKO-RDJZCZTQSA-N 2 2 334.464 1.685 20 0 EDADLP CN(C(=O)c1ccc2[nH]cnc2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378145558 447404069 /nfs/dbraw/zinc/40/40/69/447404069.db2.gz STDKZDOJAYJSRG-INIZCTEOSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1ccc2[nH]cnc2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378145558 447404064 /nfs/dbraw/zinc/40/40/64/447404064.db2.gz STDKZDOJAYJSRG-INIZCTEOSA-N 2 2 341.459 1.803 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)CCC2 ZINC000458570741 447417376 /nfs/dbraw/zinc/41/73/76/447417376.db2.gz LTPJQMSDJCGBAZ-CVEARBPZSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)CCC2 ZINC000458570741 447417381 /nfs/dbraw/zinc/41/73/81/447417381.db2.gz LTPJQMSDJCGBAZ-CVEARBPZSA-N 2 2 349.479 1.215 20 0 EDADLP C[NH+](C)C1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000422244570 447421214 /nfs/dbraw/zinc/42/12/14/447421214.db2.gz MCPLFEVIEHTXDL-OFLPRAFFSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCCC2(F)F)CC1 ZINC000458585520 447422911 /nfs/dbraw/zinc/42/29/11/447422911.db2.gz IIJQSTAKRAERNS-CYBMUJFWSA-N 2 2 332.439 1.747 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415432610 447434013 /nfs/dbraw/zinc/43/40/13/447434013.db2.gz GBDPVYJVWSQASY-AWEZNQCLSA-N 2 2 329.404 1.125 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000057377587 441112159 /nfs/dbraw/zinc/11/21/59/441112159.db2.gz FQWMNZPBIYLUAC-UHFFFAOYSA-N 2 2 331.420 1.784 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000046750460 441121252 /nfs/dbraw/zinc/12/12/52/441121252.db2.gz DYPFBLSIRGRMTH-UHFFFAOYSA-N 2 2 347.463 1.026 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000046944907 441138978 /nfs/dbraw/zinc/13/89/78/441138978.db2.gz RJJYFGMTEYQBGN-UHFFFAOYSA-N 2 2 340.431 1.810 20 0 EDADLP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000080498029 441175753 /nfs/dbraw/zinc/17/57/53/441175753.db2.gz WBAHYOCQFCHPED-ROUUACIJSA-N 2 2 328.460 1.600 20 0 EDADLP O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000080498029 441175760 /nfs/dbraw/zinc/17/57/60/441175760.db2.gz WBAHYOCQFCHPED-ROUUACIJSA-N 2 2 328.460 1.600 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000105121133 441235792 /nfs/dbraw/zinc/23/57/92/441235792.db2.gz PQDLNYFZEFVVTJ-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000080771978 441196265 /nfs/dbraw/zinc/19/62/65/441196265.db2.gz LOXWBNBUYOWFMC-UHFFFAOYSA-N 2 2 330.436 1.669 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCOc1cccc(F)c1 ZINC000080958668 441211942 /nfs/dbraw/zinc/21/19/42/441211942.db2.gz GXZKJVHHOGJPTG-CQSZACIVSA-N 2 2 346.406 1.923 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCOc1cccc(F)c1 ZINC000080958668 441211944 /nfs/dbraw/zinc/21/19/44/441211944.db2.gz GXZKJVHHOGJPTG-CQSZACIVSA-N 2 2 346.406 1.923 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718788 441254115 /nfs/dbraw/zinc/25/41/15/441254115.db2.gz UEVRPGAZLWHKCQ-HZPDHXFCSA-N 2 2 338.496 1.665 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718788 441254118 /nfs/dbraw/zinc/25/41/18/441254118.db2.gz UEVRPGAZLWHKCQ-HZPDHXFCSA-N 2 2 338.496 1.665 20 0 EDADLP C[C@H]1C[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1C ZINC000072873233 441271589 /nfs/dbraw/zinc/27/15/89/441271589.db2.gz YXBMTSRRHHDJLI-IRXDYDNUSA-N 2 2 345.487 1.723 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1C ZINC000072873230 441271869 /nfs/dbraw/zinc/27/18/69/441271869.db2.gz YXBMTSRRHHDJLI-CALCHBBNSA-N 2 2 345.487 1.723 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1C ZINC000072873230 441271871 /nfs/dbraw/zinc/27/18/71/441271871.db2.gz YXBMTSRRHHDJLI-CALCHBBNSA-N 2 2 345.487 1.723 20 0 EDADLP CC(C)(CNC(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000073257810 441305481 /nfs/dbraw/zinc/30/54/81/441305481.db2.gz GIRYIYKJQPNGFX-UHFFFAOYSA-N 2 2 326.485 1.272 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000105897109 441311417 /nfs/dbraw/zinc/31/14/17/441311417.db2.gz MTOGMOBQGDPILL-JSGCOSHPSA-N 2 2 333.436 1.459 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000105897109 441311423 /nfs/dbraw/zinc/31/14/23/441311423.db2.gz MTOGMOBQGDPILL-JSGCOSHPSA-N 2 2 333.436 1.459 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)COC2 ZINC000049993558 441369621 /nfs/dbraw/zinc/36/96/21/441369621.db2.gz LPNDADVYBBLABG-UHFFFAOYSA-N 2 2 331.460 1.815 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)COC2 ZINC000049993558 441369624 /nfs/dbraw/zinc/36/96/24/441369624.db2.gz LPNDADVYBBLABG-UHFFFAOYSA-N 2 2 331.460 1.815 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3cccc(C)c3)C2)CC1 ZINC000107370005 441412790 /nfs/dbraw/zinc/41/27/90/441412790.db2.gz NZGBIGDCYAGZCV-SFHVURJKSA-N 2 2 330.476 1.645 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3cccc(C)c3)C2)CC1 ZINC000107370005 441412795 /nfs/dbraw/zinc/41/27/95/441412795.db2.gz NZGBIGDCYAGZCV-SFHVURJKSA-N 2 2 330.476 1.645 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CC(N)=O)CC(C)C)c2cc1C ZINC000051735897 441421665 /nfs/dbraw/zinc/42/16/65/441421665.db2.gz PBEURAIPXJQIBJ-OAHLLOKOSA-N 2 2 332.448 1.457 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](CC(N)=O)CC(C)C)c2cc1C ZINC000051735897 441421667 /nfs/dbraw/zinc/42/16/67/441421667.db2.gz PBEURAIPXJQIBJ-OAHLLOKOSA-N 2 2 332.448 1.457 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)S1 ZINC000085821280 441451983 /nfs/dbraw/zinc/45/19/83/441451983.db2.gz DKLQNKHDCDRURO-OAHLLOKOSA-N 2 2 349.500 1.925 20 0 EDADLP C[C@@H]1COCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074768138 441465389 /nfs/dbraw/zinc/46/53/89/441465389.db2.gz RLHHZJDVYKTEMJ-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089146761 441527428 /nfs/dbraw/zinc/52/74/28/441527428.db2.gz BRVNUWFEMRKUIG-QGZVFWFLSA-N 2 2 341.496 1.944 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089146761 441527430 /nfs/dbraw/zinc/52/74/30/441527430.db2.gz BRVNUWFEMRKUIG-QGZVFWFLSA-N 2 2 341.496 1.944 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000111883227 441542679 /nfs/dbraw/zinc/54/26/79/441542679.db2.gz ZZVKGMSDXRLBNB-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000111883227 441542682 /nfs/dbraw/zinc/54/26/82/441542682.db2.gz ZZVKGMSDXRLBNB-MRXNPFEDSA-N 2 2 348.495 1.122 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C)CC2)CC1 ZINC000034684214 441601081 /nfs/dbraw/zinc/60/10/81/441601081.db2.gz ZJXKMQABTRJWPN-GOSISDBHSA-N 2 2 344.503 1.670 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114019966 441630984 /nfs/dbraw/zinc/63/09/84/441630984.db2.gz YPXGGKCMJRGAJM-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CO[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076344730 441633885 /nfs/dbraw/zinc/63/38/85/441633885.db2.gz JCBKSGLIPVPTQJ-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP CO[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076344730 441633889 /nfs/dbraw/zinc/63/38/89/441633889.db2.gz JCBKSGLIPVPTQJ-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000041323510 441644339 /nfs/dbraw/zinc/64/43/39/441644339.db2.gz LSYLRTRBFQAAKE-AWEZNQCLSA-N 2 2 328.420 1.635 20 0 EDADLP CCn1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1=O ZINC000091015304 441649789 /nfs/dbraw/zinc/64/97/89/441649789.db2.gz DXXWZYVVBAOHHF-XYPWUTKMSA-N 2 2 331.464 1.010 20 0 EDADLP CCn1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1=O ZINC000091015304 441649793 /nfs/dbraw/zinc/64/97/93/441649793.db2.gz DXXWZYVVBAOHHF-XYPWUTKMSA-N 2 2 331.464 1.010 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000077249545 441742591 /nfs/dbraw/zinc/74/25/91/441742591.db2.gz IGISZIFAKDCROW-MRXNPFEDSA-N 2 2 347.459 1.359 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000077249545 441742594 /nfs/dbraw/zinc/74/25/94/441742594.db2.gz IGISZIFAKDCROW-MRXNPFEDSA-N 2 2 347.459 1.359 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000173491840 441767751 /nfs/dbraw/zinc/76/77/51/441767751.db2.gz PPSOLLZGOOOXCR-IRXDYDNUSA-N 2 2 345.491 1.784 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000173491840 441767757 /nfs/dbraw/zinc/76/77/57/441767757.db2.gz PPSOLLZGOOOXCR-IRXDYDNUSA-N 2 2 345.491 1.784 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000173642133 441811681 /nfs/dbraw/zinc/81/16/81/441811681.db2.gz MFAFMJMERFNJDE-SFHVURJKSA-N 2 2 349.450 1.846 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)nc12 ZINC000139985399 441830901 /nfs/dbraw/zinc/83/09/01/441830901.db2.gz GPGJXRVZTNGFHE-NVXWUHKLSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)nc12 ZINC000139985399 441830904 /nfs/dbraw/zinc/83/09/04/441830904.db2.gz GPGJXRVZTNGFHE-NVXWUHKLSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)nc12 ZINC000139985399 441830908 /nfs/dbraw/zinc/83/09/08/441830908.db2.gz GPGJXRVZTNGFHE-NVXWUHKLSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)nc12 ZINC000139985399 441830912 /nfs/dbraw/zinc/83/09/12/441830912.db2.gz GPGJXRVZTNGFHE-NVXWUHKLSA-N 2 2 326.444 1.919 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000140175979 441834565 /nfs/dbraw/zinc/83/45/65/441834565.db2.gz VJOCKSWFFNCMRT-UHFFFAOYSA-N 2 2 347.463 1.024 20 0 EDADLP O=C(CC[N@H+]1CCCC[C@@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000069250016 441909192 /nfs/dbraw/zinc/90/91/92/441909192.db2.gz KSFPFYNCJTYANM-QGZVFWFLSA-N 2 2 346.475 1.357 20 0 EDADLP O=C(CC[N@@H+]1CCCC[C@@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000069250016 441909198 /nfs/dbraw/zinc/90/91/98/441909198.db2.gz KSFPFYNCJTYANM-QGZVFWFLSA-N 2 2 346.475 1.357 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124273180 441913451 /nfs/dbraw/zinc/91/34/51/441913451.db2.gz BDIKUBPDOGMAND-UHFFFAOYSA-N 2 2 330.388 1.630 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124273180 441913453 /nfs/dbraw/zinc/91/34/53/441913453.db2.gz BDIKUBPDOGMAND-UHFFFAOYSA-N 2 2 330.388 1.630 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)NCc1ccco1 ZINC000150825596 441957551 /nfs/dbraw/zinc/95/75/51/441957551.db2.gz FIZGFGJRGGRDQB-CQSZACIVSA-N 2 2 334.420 1.023 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)NCc1ccco1 ZINC000150825596 441957554 /nfs/dbraw/zinc/95/75/54/441957554.db2.gz FIZGFGJRGGRDQB-CQSZACIVSA-N 2 2 334.420 1.023 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000175115190 442005775 /nfs/dbraw/zinc/00/57/75/442005775.db2.gz HYPUQHKYASJEPS-DLBZAZTESA-N 2 2 345.491 1.145 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000175115190 442005780 /nfs/dbraw/zinc/00/57/80/442005780.db2.gz HYPUQHKYASJEPS-DLBZAZTESA-N 2 2 345.491 1.145 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175608665 442093228 /nfs/dbraw/zinc/09/32/28/442093228.db2.gz CGEKKHUDLUGSKI-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1C(N)=O ZINC000175348060 442046554 /nfs/dbraw/zinc/04/65/54/442046554.db2.gz OSTUMTFZQFVGFY-UHFFFAOYSA-N 2 2 347.463 1.241 20 0 EDADLP CO[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(O)cc1 ZINC000426443257 447446176 /nfs/dbraw/zinc/44/61/76/447446176.db2.gz NXQGEYMLPVBCGO-SFHVURJKSA-N 2 2 349.475 1.564 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCc2ccccc2)CC1 ZINC000175520282 442079188 /nfs/dbraw/zinc/07/91/88/442079188.db2.gz GYUVOPZLQXIOQD-UHFFFAOYSA-N 2 2 332.492 1.944 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCc2ccccc2F)CC1 ZINC000175542965 442083413 /nfs/dbraw/zinc/08/34/13/442083413.db2.gz IQIMLGRMDCCOKQ-UHFFFAOYSA-N 2 2 336.455 1.693 20 0 EDADLP C[N@H+](CC(=O)N1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175783764 442121719 /nfs/dbraw/zinc/12/17/19/442121719.db2.gz JTODPYLJKYWCNV-UHFFFAOYSA-N 2 2 330.476 1.643 20 0 EDADLP C[N@@H+](CC(=O)N1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175783764 442121722 /nfs/dbraw/zinc/12/17/22/442121722.db2.gz JTODPYLJKYWCNV-UHFFFAOYSA-N 2 2 330.476 1.643 20 0 EDADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000151801756 442122355 /nfs/dbraw/zinc/12/23/55/442122355.db2.gz FZYWRSGVMNCSAZ-VQIMIIECSA-N 2 2 347.503 1.642 20 0 EDADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151801756 442122358 /nfs/dbraw/zinc/12/23/58/442122358.db2.gz FZYWRSGVMNCSAZ-VQIMIIECSA-N 2 2 347.503 1.642 20 0 EDADLP CO[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(O)cc1 ZINC000426443257 447446177 /nfs/dbraw/zinc/44/61/77/447446177.db2.gz NXQGEYMLPVBCGO-SFHVURJKSA-N 2 2 349.475 1.564 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000162544778 442101442 /nfs/dbraw/zinc/10/14/42/442101442.db2.gz MBYGPBLFXDWYIV-IRXDYDNUSA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000162544778 442101449 /nfs/dbraw/zinc/10/14/49/442101449.db2.gz MBYGPBLFXDWYIV-IRXDYDNUSA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000162577165 442105541 /nfs/dbraw/zinc/10/55/41/442105541.db2.gz FIYJYWYTJVVFRS-GJBLVYBDSA-N 2 2 327.350 1.820 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000164898611 442204427 /nfs/dbraw/zinc/20/44/27/442204427.db2.gz VLKZSWQRMSDJEF-MSOLQXFVSA-N 2 2 331.460 1.627 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COC[C@@H]3CCCO3)CC2)c1 ZINC000164051172 442189285 /nfs/dbraw/zinc/18/92/85/442189285.db2.gz KLXLIUDQDZKKTK-SJORKVTESA-N 2 2 335.448 1.069 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000176287424 442205444 /nfs/dbraw/zinc/20/54/44/442205444.db2.gz NMWRQYPSUJYGCR-NVXWUHKLSA-N 2 2 349.479 1.334 20 0 EDADLP C[NH+]1CCC(CNC(=O)Nc2cccnn2)([NH+]2CCCCC2)CC1 ZINC000152012919 442154188 /nfs/dbraw/zinc/15/41/88/442154188.db2.gz BFGJLHXGDRSVFQ-UHFFFAOYSA-N 2 2 332.452 1.548 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000168940398 442225156 /nfs/dbraw/zinc/22/51/56/442225156.db2.gz QMLDHTDKRKIJFV-IBGZPJMESA-N 2 2 347.503 1.880 20 0 EDADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000168913151 442225169 /nfs/dbraw/zinc/22/51/69/442225169.db2.gz DBWRBNGKKYNQHD-FXAWDEMLSA-N 2 2 331.504 1.900 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000128651565 442280094 /nfs/dbraw/zinc/28/00/94/442280094.db2.gz RDANIYHFQJIWEP-SJORKVTESA-N 3 2 345.491 1.193 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000128651565 442280095 /nfs/dbraw/zinc/28/00/95/442280095.db2.gz RDANIYHFQJIWEP-SJORKVTESA-N 3 2 345.491 1.193 20 0 EDADLP CCOC(=O)c1c[nH]n(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1=N ZINC000128667058 442280820 /nfs/dbraw/zinc/28/08/20/442280820.db2.gz VWULVEJIOKDARU-CQSZACIVSA-N 2 2 349.479 1.594 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000170901996 442285883 /nfs/dbraw/zinc/28/58/83/442285883.db2.gz RUXOXCBLAVUNML-QAPCUYQASA-N 2 2 331.460 1.995 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000170901996 442285885 /nfs/dbraw/zinc/28/58/85/442285885.db2.gz RUXOXCBLAVUNML-QAPCUYQASA-N 2 2 331.460 1.995 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171009127 442298536 /nfs/dbraw/zinc/29/85/36/442298536.db2.gz PRMNKDVIPJLMCN-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171009127 442298537 /nfs/dbraw/zinc/29/85/37/442298537.db2.gz PRMNKDVIPJLMCN-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171037776 442302736 /nfs/dbraw/zinc/30/27/36/442302736.db2.gz IZAXGKYRHDEOAJ-INIZCTEOSA-N 2 2 340.431 1.647 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000154328140 442332706 /nfs/dbraw/zinc/33/27/06/442332706.db2.gz HNVQEAOHCUATEP-IUODEOHRSA-N 2 2 329.466 1.021 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000130043062 442337972 /nfs/dbraw/zinc/33/79/72/442337972.db2.gz FXXQRDJAPNJVTF-HLLBOEOZSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000130043062 442337973 /nfs/dbraw/zinc/33/79/73/442337973.db2.gz FXXQRDJAPNJVTF-HLLBOEOZSA-N 2 2 336.480 1.118 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000177488708 442348788 /nfs/dbraw/zinc/34/87/88/442348788.db2.gz SCUXSVFHEFOFCE-QGZVFWFLSA-N 2 2 337.439 1.831 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCCN(C(C)C)C3=O)CC2)c1 ZINC000177707775 442372993 /nfs/dbraw/zinc/37/29/93/442372993.db2.gz WUXLGAXTKFQLHX-MRXNPFEDSA-N 2 2 332.448 1.612 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000171744016 442376221 /nfs/dbraw/zinc/37/62/21/442376221.db2.gz LWGDDVRIBPKYBM-KRWDZBQOSA-N 2 2 348.495 1.085 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000171744016 442376223 /nfs/dbraw/zinc/37/62/23/442376223.db2.gz LWGDDVRIBPKYBM-KRWDZBQOSA-N 2 2 348.495 1.085 20 0 EDADLP C[C@@H]1C[NH+](CCN2CCc3[nH+]c[nH]c3[C@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000625495518 450392570 /nfs/dbraw/zinc/39/25/70/450392570.db2.gz IDPLHRVAHFNVQT-HBUWYVDXSA-N 2 2 344.463 1.200 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000155344020 442388747 /nfs/dbraw/zinc/38/87/47/442388747.db2.gz YGMMUYVQTYCJJG-GFCCVEGCSA-N 2 2 348.428 1.509 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000155366093 442391572 /nfs/dbraw/zinc/39/15/72/442391572.db2.gz DVTAYGJJUFOERB-DOTOQJQBSA-N 2 2 333.480 1.330 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000155366093 442391575 /nfs/dbraw/zinc/39/15/75/442391575.db2.gz DVTAYGJJUFOERB-DOTOQJQBSA-N 2 2 333.480 1.330 20 0 EDADLP CCOCCC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000132659773 442397702 /nfs/dbraw/zinc/39/77/02/442397702.db2.gz HWLXNYXNXNGTSY-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000172013305 442399277 /nfs/dbraw/zinc/39/92/77/442399277.db2.gz BYTAPTNGLAVOAM-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000172013305 442399280 /nfs/dbraw/zinc/39/92/80/442399280.db2.gz BYTAPTNGLAVOAM-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC3CC[NH+](CC4CC4)CC3)nc[nH+]2)C1 ZINC000171543349 442355425 /nfs/dbraw/zinc/35/54/25/442355425.db2.gz ZHTBDSUEBNOFAJ-INIZCTEOSA-N 2 2 345.491 1.972 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC3CC[NH+](CC4CC4)CC3)[nH+]cn2)C1 ZINC000171543349 442355429 /nfs/dbraw/zinc/35/54/29/442355429.db2.gz ZHTBDSUEBNOFAJ-INIZCTEOSA-N 2 2 345.491 1.972 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000172100331 442409544 /nfs/dbraw/zinc/40/95/44/442409544.db2.gz BIPDBLJNPOJAQW-INIZCTEOSA-N 2 2 348.466 1.548 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172177656 442419647 /nfs/dbraw/zinc/41/96/47/442419647.db2.gz KZZIMSWAIWRYST-KRWDZBQOSA-N 2 2 347.459 1.291 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H]1CCOC1 ZINC000178337824 442425420 /nfs/dbraw/zinc/42/54/20/442425420.db2.gz JPJLREGXVHMPGJ-HNNXBMFYSA-N 2 2 337.489 1.361 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H]1CCOC1 ZINC000178337824 442425423 /nfs/dbraw/zinc/42/54/23/442425423.db2.gz JPJLREGXVHMPGJ-HNNXBMFYSA-N 2 2 337.489 1.361 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134167453 442454290 /nfs/dbraw/zinc/45/42/90/442454290.db2.gz ZSRRNKFLLCKIBU-GJZGRUSLSA-N 2 2 348.495 1.358 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156498282 442487175 /nfs/dbraw/zinc/48/71/75/442487175.db2.gz KBEODHHRWGLFAT-RDBSUJKOSA-N 2 2 335.452 1.779 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156498282 442487180 /nfs/dbraw/zinc/48/71/80/442487180.db2.gz KBEODHHRWGLFAT-RDBSUJKOSA-N 2 2 335.452 1.779 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCCS(N)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000172574668 442495032 /nfs/dbraw/zinc/49/50/32/442495032.db2.gz WHXZSDDIZCYLDE-DOTOQJQBSA-N 2 2 339.505 1.650 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCCS(N)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000172574668 442495036 /nfs/dbraw/zinc/49/50/36/442495036.db2.gz WHXZSDDIZCYLDE-DOTOQJQBSA-N 2 2 339.505 1.650 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCCS(N)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000172574668 442495039 /nfs/dbraw/zinc/49/50/39/442495039.db2.gz WHXZSDDIZCYLDE-DOTOQJQBSA-N 2 2 339.505 1.650 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCCS(N)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000172574668 442495043 /nfs/dbraw/zinc/49/50/43/442495043.db2.gz WHXZSDDIZCYLDE-DOTOQJQBSA-N 2 2 339.505 1.650 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)c1 ZINC000178766592 442478674 /nfs/dbraw/zinc/47/86/74/442478674.db2.gz FBRXSTALSOJSRN-CZUORRHYSA-N 2 2 335.473 1.563 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000180154168 442548398 /nfs/dbraw/zinc/54/83/98/442548398.db2.gz DXJSMBHXJQYCLQ-DJIMGWMZSA-N 2 2 333.501 1.985 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000180154168 442548403 /nfs/dbraw/zinc/54/84/03/442548403.db2.gz DXJSMBHXJQYCLQ-DJIMGWMZSA-N 2 2 333.501 1.985 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000186533114 442554849 /nfs/dbraw/zinc/55/48/49/442554849.db2.gz BYYDJBLAMCJVOE-HZPDHXFCSA-N 2 2 343.475 1.929 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000186533114 442554854 /nfs/dbraw/zinc/55/48/54/442554854.db2.gz BYYDJBLAMCJVOE-HZPDHXFCSA-N 2 2 343.475 1.929 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)s1 ZINC000178883090 442512994 /nfs/dbraw/zinc/51/29/94/442512994.db2.gz OYXLLFYDPBYSFY-KRWDZBQOSA-N 2 2 344.484 1.838 20 0 EDADLP CCc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000172697550 442522466 /nfs/dbraw/zinc/52/24/66/442522466.db2.gz HZBPJSZGTVGERU-GOSISDBHSA-N 2 2 331.460 1.272 20 0 EDADLP CCOc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000172698028 442522761 /nfs/dbraw/zinc/52/27/61/442522761.db2.gz FWLHIFGFVGRBDH-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180291315 442575047 /nfs/dbraw/zinc/57/50/47/442575047.db2.gz UAVPDVOSVBDECK-NTDBWNAOSA-N 2 2 345.487 1.875 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180291315 442575055 /nfs/dbraw/zinc/57/50/55/442575055.db2.gz UAVPDVOSVBDECK-NTDBWNAOSA-N 2 2 345.487 1.875 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180291315 442575060 /nfs/dbraw/zinc/57/50/60/442575060.db2.gz UAVPDVOSVBDECK-NTDBWNAOSA-N 2 2 345.487 1.875 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180291315 442575067 /nfs/dbraw/zinc/57/50/67/442575067.db2.gz UAVPDVOSVBDECK-NTDBWNAOSA-N 2 2 345.487 1.875 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000157485719 442588116 /nfs/dbraw/zinc/58/81/16/442588116.db2.gz CZNDVUGETSPZMB-KRWDZBQOSA-N 2 2 330.432 1.744 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000157279519 442566887 /nfs/dbraw/zinc/56/68/87/442566887.db2.gz VKDJEIQYWFKVGX-ZDUSSCGKSA-N 2 2 328.507 1.258 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C2CC[NH+](C(C)C)CC2)nc[nH+]1 ZINC000180630488 442637933 /nfs/dbraw/zinc/63/79/33/442637933.db2.gz ZYZIWPGWYQLXBL-INIZCTEOSA-N 3 2 332.496 1.950 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC000135912599 442640335 /nfs/dbraw/zinc/64/03/35/442640335.db2.gz OFAGJLNXQXCICC-IRXDYDNUSA-N 2 2 326.444 1.735 20 0 EDADLP C[C@@H](c1ccncc1)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179280703 442612101 /nfs/dbraw/zinc/61/21/01/442612101.db2.gz CHVLUDSHNWTMTR-HNNXBMFYSA-N 2 2 333.480 1.810 20 0 EDADLP Cc1cc(N2CCC(NC(=O)c3coc(C[NH3+])c3)CC2)nc(C)[nH+]1 ZINC000188259481 442730327 /nfs/dbraw/zinc/73/03/27/442730327.db2.gz YQPBHVUAFMIPIA-UHFFFAOYSA-N 2 2 329.404 1.544 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188287780 442734010 /nfs/dbraw/zinc/73/40/10/442734010.db2.gz FJYPWLYUMWSOIZ-OXQOHEQNSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188287780 442734012 /nfs/dbraw/zinc/73/40/12/442734012.db2.gz FJYPWLYUMWSOIZ-OXQOHEQNSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188287780 442734014 /nfs/dbraw/zinc/73/40/14/442734014.db2.gz FJYPWLYUMWSOIZ-OXQOHEQNSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188287780 442734016 /nfs/dbraw/zinc/73/40/16/442734016.db2.gz FJYPWLYUMWSOIZ-OXQOHEQNSA-N 2 2 347.503 1.858 20 0 EDADLP CC[NH+]1CCN(c2ccccc2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000188115822 442713511 /nfs/dbraw/zinc/71/35/11/442713511.db2.gz KQFTVXYACNKIGO-UHFFFAOYSA-N 2 2 327.432 1.743 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000246525175 442788740 /nfs/dbraw/zinc/78/87/40/442788740.db2.gz VZYOPUXJWWMLFP-IEBWSBKVSA-N 2 2 345.487 1.860 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000246525175 442788741 /nfs/dbraw/zinc/78/87/41/442788741.db2.gz VZYOPUXJWWMLFP-IEBWSBKVSA-N 2 2 345.487 1.860 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000188710040 442794440 /nfs/dbraw/zinc/79/44/40/442794440.db2.gz YULPLITVABLOMO-UHFFFAOYSA-N 2 2 331.464 1.394 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000188716013 442795898 /nfs/dbraw/zinc/79/58/98/442795898.db2.gz ZWUDCYWWKIGXAV-INIZCTEOSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000188716013 442795902 /nfs/dbraw/zinc/79/59/02/442795902.db2.gz ZWUDCYWWKIGXAV-INIZCTEOSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1CC(C)(C)O ZINC000188716013 442795912 /nfs/dbraw/zinc/79/59/12/442795912.db2.gz ZWUDCYWWKIGXAV-INIZCTEOSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1C[C@H](C)O ZINC000246708596 442806684 /nfs/dbraw/zinc/80/66/84/442806684.db2.gz CNXXDPOWEPZGKK-RDJZCZTQSA-N 2 2 342.443 1.790 20 0 EDADLP CC[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1C[C@H](C)O ZINC000246708596 442806686 /nfs/dbraw/zinc/80/66/86/442806686.db2.gz CNXXDPOWEPZGKK-RDJZCZTQSA-N 2 2 342.443 1.790 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246403378 442780205 /nfs/dbraw/zinc/78/02/05/442780205.db2.gz LBZBWWIEKSWQOO-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246403378 442780206 /nfs/dbraw/zinc/78/02/06/442780206.db2.gz LBZBWWIEKSWQOO-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246403378 442780207 /nfs/dbraw/zinc/78/02/07/442780207.db2.gz LBZBWWIEKSWQOO-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246403378 442780208 /nfs/dbraw/zinc/78/02/08/442780208.db2.gz LBZBWWIEKSWQOO-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193939821 442815538 /nfs/dbraw/zinc/81/55/38/442815538.db2.gz JOZGEBVQPARDBN-UHFFFAOYSA-N 2 2 341.415 1.413 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193938116 442815737 /nfs/dbraw/zinc/81/57/37/442815737.db2.gz QVYVBHAICWGTLE-UHFFFAOYSA-N 2 2 343.431 1.659 20 0 EDADLP C[NH+](C)CCSCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000171606851 318435023 /nfs/dbraw/zinc/43/50/23/318435023.db2.gz RXLQMZVQSWSINP-UHFFFAOYSA-N 2 2 328.507 1.972 20 0 EDADLP CCc1nc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cs1 ZINC000175746516 318439985 /nfs/dbraw/zinc/43/99/85/318439985.db2.gz QEYFCWXMVHOGLR-UHFFFAOYSA-N 2 2 339.509 1.531 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)C[N@@H+]1Cc1ccccc1 ZINC000268156100 442875330 /nfs/dbraw/zinc/87/53/30/442875330.db2.gz YNXHEUFMKUUKPH-GDBMZVCRSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)C[N@H+]1Cc1ccccc1 ZINC000268156100 442875333 /nfs/dbraw/zinc/87/53/33/442875333.db2.gz YNXHEUFMKUUKPH-GDBMZVCRSA-N 2 2 327.432 1.882 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248234195 442886062 /nfs/dbraw/zinc/88/60/62/442886062.db2.gz LZPTYOGFRPVUBD-NXOAAHMSSA-N 2 2 325.497 1.721 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@H](C)[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000248234195 442886068 /nfs/dbraw/zinc/88/60/68/442886068.db2.gz LZPTYOGFRPVUBD-NXOAAHMSSA-N 2 2 325.497 1.721 20 0 EDADLP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000183160972 442892235 /nfs/dbraw/zinc/89/22/35/442892235.db2.gz GSUFWEOGALXVLU-WBVHZDCISA-N 2 2 347.459 1.160 20 0 EDADLP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000183160972 442892238 /nfs/dbraw/zinc/89/22/38/442892238.db2.gz GSUFWEOGALXVLU-WBVHZDCISA-N 2 2 347.459 1.160 20 0 EDADLP COC[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000265818232 442933146 /nfs/dbraw/zinc/93/31/46/442933146.db2.gz RHBOABHYTFAMGO-INIZCTEOSA-N 2 2 332.448 1.089 20 0 EDADLP COC[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000265818232 442933151 /nfs/dbraw/zinc/93/31/51/442933151.db2.gz RHBOABHYTFAMGO-INIZCTEOSA-N 2 2 332.448 1.089 20 0 EDADLP CC[C@]1(C)C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000248869793 442933211 /nfs/dbraw/zinc/93/32/11/442933211.db2.gz BMVANXSOEVOISL-VQIMIIECSA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@]1(C)C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000248869793 442933216 /nfs/dbraw/zinc/93/32/16/442933216.db2.gz BMVANXSOEVOISL-VQIMIIECSA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@@H]1C[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000183530937 442938286 /nfs/dbraw/zinc/93/82/86/442938286.db2.gz VZWOHGNPJVZFSE-CRAIPNDOSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2c[nH]c(=S)[nH]2)([NH+]2CCCCC2)CC1 ZINC000189444612 442954461 /nfs/dbraw/zinc/95/44/61/442954461.db2.gz YOBQZUKDYVSOKA-UHFFFAOYSA-N 2 2 337.493 1.379 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCn1cc[nH+]c1 ZINC000265921756 442969775 /nfs/dbraw/zinc/96/97/75/442969775.db2.gz CIFNAFFBTSXILP-QGZVFWFLSA-N 2 2 341.459 1.600 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249579679 442990454 /nfs/dbraw/zinc/99/04/54/442990454.db2.gz QNVZEODUOUUGLV-XLIONFOSSA-N 2 2 347.503 1.811 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249579679 442990458 /nfs/dbraw/zinc/99/04/58/442990458.db2.gz QNVZEODUOUUGLV-XLIONFOSSA-N 2 2 347.503 1.811 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249579679 442990464 /nfs/dbraw/zinc/99/04/64/442990464.db2.gz QNVZEODUOUUGLV-XLIONFOSSA-N 2 2 347.503 1.811 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249579679 442990467 /nfs/dbraw/zinc/99/04/67/442990467.db2.gz QNVZEODUOUUGLV-XLIONFOSSA-N 2 2 347.503 1.811 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000268571109 443039012 /nfs/dbraw/zinc/03/90/12/443039012.db2.gz LRFOPWNGLZVBKX-UHFFFAOYSA-N 2 2 349.479 1.182 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000190166669 443066186 /nfs/dbraw/zinc/06/61/86/443066186.db2.gz VNZLIWIVTCHBRS-KRWDZBQOSA-N 2 2 339.528 1.140 20 0 EDADLP Cc1ccc([C@H](CNC(=O)Cn2cc[nH+]c2C)[NH+]2CCOCC2)s1 ZINC000297297608 318759542 /nfs/dbraw/zinc/75/95/42/318759542.db2.gz DVXAVQZTEPWCMZ-HNNXBMFYSA-N 2 2 348.472 1.751 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccccn3)C2)CC1 ZINC000268674935 443073092 /nfs/dbraw/zinc/07/30/92/443073092.db2.gz KZVNJMHHZUGQFL-JKSUJKDBSA-N 2 2 332.448 1.087 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccccn3)C2)CC1 ZINC000268674935 443073095 /nfs/dbraw/zinc/07/30/95/443073095.db2.gz KZVNJMHHZUGQFL-JKSUJKDBSA-N 2 2 332.448 1.087 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268870886 443131969 /nfs/dbraw/zinc/13/19/69/443131969.db2.gz GBQKXNZVFNSCRE-OCCSQVGLSA-N 2 2 343.468 1.126 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268870886 443131971 /nfs/dbraw/zinc/13/19/71/443131971.db2.gz GBQKXNZVFNSCRE-OCCSQVGLSA-N 2 2 343.468 1.126 20 0 EDADLP CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000268798950 443111996 /nfs/dbraw/zinc/11/19/96/443111996.db2.gz HCDAQALQEAVRIS-MRXNPFEDSA-N 2 2 341.459 1.687 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000245439038 443228417 /nfs/dbraw/zinc/22/84/17/443228417.db2.gz SMXUNHDCKITVHC-WDEREUQCSA-N 2 2 338.374 1.037 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000245439038 443228419 /nfs/dbraw/zinc/22/84/19/443228419.db2.gz SMXUNHDCKITVHC-WDEREUQCSA-N 2 2 338.374 1.037 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000245439038 443228421 /nfs/dbraw/zinc/22/84/21/443228421.db2.gz SMXUNHDCKITVHC-WDEREUQCSA-N 2 2 338.374 1.037 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)C1 ZINC000245439038 443228424 /nfs/dbraw/zinc/22/84/24/443228424.db2.gz SMXUNHDCKITVHC-WDEREUQCSA-N 2 2 338.374 1.037 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)s1 ZINC000262923860 443216862 /nfs/dbraw/zinc/21/68/62/443216862.db2.gz SAYGMBPWYVWXTO-GOSISDBHSA-N 2 2 344.484 1.970 20 0 EDADLP C[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)[NH+]1CCOCC1 ZINC000269249163 443250274 /nfs/dbraw/zinc/25/02/74/443250274.db2.gz WXVWTQDIXPYBPC-HNNXBMFYSA-N 2 2 344.459 1.441 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000410585404 319143194 /nfs/dbraw/zinc/14/31/94/319143194.db2.gz AXAZPKUCRIKMTM-CQSZACIVSA-N 2 2 347.463 1.058 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000410585404 319143197 /nfs/dbraw/zinc/14/31/97/319143197.db2.gz AXAZPKUCRIKMTM-CQSZACIVSA-N 2 2 347.463 1.058 20 0 EDADLP CC[C@@H](C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1)[NH+](C)C ZINC000413070522 319262193 /nfs/dbraw/zinc/26/21/93/319262193.db2.gz ZWRZYZYQCHLYDD-ROUUACIJSA-N 2 2 333.476 1.825 20 0 EDADLP C[NH+]1CCN(c2ncccc2CNc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413080025 319263447 /nfs/dbraw/zinc/26/34/47/319263447.db2.gz CWXDFWCFUUYALL-UHFFFAOYSA-N 2 2 339.447 1.810 20 0 EDADLP C[NH+]1CCN(c2ncccc2CNc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413080025 319263450 /nfs/dbraw/zinc/26/34/50/319263450.db2.gz CWXDFWCFUUYALL-UHFFFAOYSA-N 2 2 339.447 1.810 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413550637 319276416 /nfs/dbraw/zinc/27/64/16/319276416.db2.gz KSQAVKVUNYFUHH-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413550637 319276418 /nfs/dbraw/zinc/27/64/18/319276418.db2.gz KSQAVKVUNYFUHH-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@H](CN2CC[NH+](Cc3cccs3)CC2)C1 ZINC000414674728 319339730 /nfs/dbraw/zinc/33/97/30/319339730.db2.gz FBNXVZGSGCCUGE-OAHLLOKOSA-N 2 2 336.505 1.063 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000414674816 319339853 /nfs/dbraw/zinc/33/98/53/319339853.db2.gz FGRJCHCSAOGLRT-BZSNNMDCSA-N 2 2 338.540 1.482 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415736066 319368189 /nfs/dbraw/zinc/36/81/89/319368189.db2.gz FHZXDZACJKSAGM-ZWNOBZJWSA-N 2 2 341.415 1.337 20 0 EDADLP C[C@@H](NC(=O)Nc1ccc(OCC[NH3+])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000415939007 319383679 /nfs/dbraw/zinc/38/36/79/319383679.db2.gz PWKIXCFUKGBKQT-KGLIPLIRSA-N 2 2 336.436 1.255 20 0 EDADLP [NH3+]Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000415974347 319386956 /nfs/dbraw/zinc/38/69/56/319386956.db2.gz KTBIFVHTEFVKOC-KRWDZBQOSA-N 2 2 332.448 1.864 20 0 EDADLP [NH3+]Cc1cccnc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000415988800 319387216 /nfs/dbraw/zinc/38/72/16/319387216.db2.gz DPHYBUISIVXNAS-UHFFFAOYSA-N 2 2 331.445 1.952 20 0 EDADLP COCC1=CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000185872575 443273432 /nfs/dbraw/zinc/27/34/32/443273432.db2.gz FTOVXGYIXASQKF-MRXNPFEDSA-N 2 2 344.459 1.397 20 0 EDADLP COCC1=CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000185872575 443273434 /nfs/dbraw/zinc/27/34/34/443273434.db2.gz FTOVXGYIXASQKF-MRXNPFEDSA-N 2 2 344.459 1.397 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266931691 443294635 /nfs/dbraw/zinc/29/46/35/443294635.db2.gz OTPFOKPKNXKMAC-HNNXBMFYSA-N 2 2 339.443 1.520 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000191505039 443304039 /nfs/dbraw/zinc/30/40/39/443304039.db2.gz IMCJHEQCVVLGAF-LJQANCHMSA-N 2 2 346.519 1.461 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000191505039 443304047 /nfs/dbraw/zinc/30/40/47/443304047.db2.gz IMCJHEQCVVLGAF-LJQANCHMSA-N 2 2 346.519 1.461 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000416891129 319470418 /nfs/dbraw/zinc/47/04/18/319470418.db2.gz MULQFBHRFRIEFQ-AWEZNQCLSA-N 2 2 333.823 1.778 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418530215 319504430 /nfs/dbraw/zinc/50/44/30/319504430.db2.gz VALNVXXGSMHGHT-NCRRVARUSA-N 2 2 328.460 1.637 20 0 EDADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000418796857 319513330 /nfs/dbraw/zinc/51/33/30/319513330.db2.gz ROOMWPKLFLSWDD-BZUAXINKSA-N 2 2 348.516 1.963 20 0 EDADLP CC(C)(O)C(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000272596733 443377759 /nfs/dbraw/zinc/37/77/59/443377759.db2.gz NZVOWOFUDXQKJW-UHFFFAOYSA-N 2 2 333.476 1.470 20 0 EDADLP C[C@H](O)C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000264710558 443385377 /nfs/dbraw/zinc/38/53/77/443385377.db2.gz KVSDDNFWOHPQJR-INIZCTEOSA-N 2 2 346.475 1.213 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264717752 443389349 /nfs/dbraw/zinc/38/93/49/443389349.db2.gz MTJSEZYBZLWKJP-MRXNPFEDSA-N 2 2 348.447 1.464 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)[C@@H](C)C1 ZINC000282543338 443369211 /nfs/dbraw/zinc/36/92/11/443369211.db2.gz RFOHXPFECTZYAQ-WMZOPIPTSA-N 2 2 338.517 1.964 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)CCc2ccccc2)[C@@H](C)C1 ZINC000282543338 443369217 /nfs/dbraw/zinc/36/92/17/443369217.db2.gz RFOHXPFECTZYAQ-WMZOPIPTSA-N 2 2 338.517 1.964 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000420380741 319612680 /nfs/dbraw/zinc/61/26/80/319612680.db2.gz YSBCRIIJEMMZDC-IGCXYCKISA-N 2 2 347.488 1.908 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000278844183 443459843 /nfs/dbraw/zinc/45/98/43/443459843.db2.gz VAIRYHURDSGTSJ-SFHVURJKSA-N 2 2 342.491 1.757 20 0 EDADLP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000278844183 443459845 /nfs/dbraw/zinc/45/98/45/443459845.db2.gz VAIRYHURDSGTSJ-SFHVURJKSA-N 2 2 342.491 1.757 20 0 EDADLP CCN1CCO[C@@H](C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423104383 319750672 /nfs/dbraw/zinc/75/06/72/319750672.db2.gz MBTAUUSXUOWQPE-RNQOJCNYSA-N 2 2 347.503 1.805 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279071720 443508927 /nfs/dbraw/zinc/50/89/27/443508927.db2.gz FFHFUCFVOHUYAM-WMZOPIPTSA-N 2 2 333.476 1.859 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279071720 443508929 /nfs/dbraw/zinc/50/89/29/443508929.db2.gz FFHFUCFVOHUYAM-WMZOPIPTSA-N 2 2 333.476 1.859 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000423761576 319812395 /nfs/dbraw/zinc/81/23/95/319812395.db2.gz RQOPJYRJAGLNLS-IHRRRGAJSA-N 2 2 325.478 1.529 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1-c1ccoc1 ZINC000279039006 443497528 /nfs/dbraw/zinc/49/75/28/443497528.db2.gz NMNYYCVVEIVFEZ-UHFFFAOYSA-N 2 2 345.447 1.768 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1-c1ccoc1 ZINC000279039006 443497531 /nfs/dbraw/zinc/49/75/31/443497531.db2.gz NMNYYCVVEIVFEZ-UHFFFAOYSA-N 2 2 345.447 1.768 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccc(C)c1 ZINC000286114528 443648322 /nfs/dbraw/zinc/64/83/22/443648322.db2.gz NFWVGESMLBLWTK-RBUKOAKNSA-N 2 2 345.487 1.969 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000276157099 443657492 /nfs/dbraw/zinc/65/74/92/443657492.db2.gz FWAVBNVMQYXSQL-DLBZAZTESA-N 2 2 326.444 1.735 20 0 EDADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280121835 443668105 /nfs/dbraw/zinc/66/81/05/443668105.db2.gz VGVCSAMMOWKGLH-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280121835 443668106 /nfs/dbraw/zinc/66/81/06/443668106.db2.gz VGVCSAMMOWKGLH-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280121835 443668107 /nfs/dbraw/zinc/66/81/07/443668107.db2.gz VGVCSAMMOWKGLH-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280121835 443668108 /nfs/dbraw/zinc/66/81/08/443668108.db2.gz VGVCSAMMOWKGLH-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP COc1nccnc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449062364 320177111 /nfs/dbraw/zinc/17/71/11/320177111.db2.gz LOUNWSMCAAGVJC-UHFFFAOYSA-N 2 2 328.416 1.607 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393766 320187720 /nfs/dbraw/zinc/18/77/20/320187720.db2.gz DAMSQPXVFXXIFT-KRWDZBQOSA-N 2 2 343.475 1.821 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393766 320187722 /nfs/dbraw/zinc/18/77/22/320187722.db2.gz DAMSQPXVFXXIFT-KRWDZBQOSA-N 2 2 343.475 1.821 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000457603736 320330508 /nfs/dbraw/zinc/33/05/08/320330508.db2.gz PYMDHNSGKCAWPS-IRXDYDNUSA-N 2 2 340.512 1.469 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000457603736 320330509 /nfs/dbraw/zinc/33/05/09/320330509.db2.gz PYMDHNSGKCAWPS-IRXDYDNUSA-N 2 2 340.512 1.469 20 0 EDADLP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000457771900 320335544 /nfs/dbraw/zinc/33/55/44/320335544.db2.gz FHVSBLJYWHSFEL-GOSISDBHSA-N 2 2 328.460 1.819 20 0 EDADLP CCO[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000458597641 320337761 /nfs/dbraw/zinc/33/77/61/320337761.db2.gz PIDYXVPXZZTCMF-RDJZCZTQSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H]1CN(Cc2ncnn2CC(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000488157233 320357602 /nfs/dbraw/zinc/35/76/02/320357602.db2.gz BRZOXGHONKGAQG-ZDUSSCGKSA-N 2 2 342.438 1.144 20 0 EDADLP C[C@H]1CN(Cc2ncnn2CC(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000488157233 320357603 /nfs/dbraw/zinc/35/76/03/320357603.db2.gz BRZOXGHONKGAQG-ZDUSSCGKSA-N 2 2 342.438 1.144 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCC2)CCO1 ZINC000492080935 320375125 /nfs/dbraw/zinc/37/51/25/320375125.db2.gz KXAGRYBQUTXZAW-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCC2)CCO1 ZINC000492080935 320375126 /nfs/dbraw/zinc/37/51/26/320375126.db2.gz KXAGRYBQUTXZAW-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP COc1cc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1OC(C)C ZINC000493095064 320393015 /nfs/dbraw/zinc/39/30/15/320393015.db2.gz NAZUUUGCCVSKQO-IOBAAEILSA-N 2 2 347.459 1.597 20 0 EDADLP COc1cc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1OC(C)C ZINC000493095064 320393016 /nfs/dbraw/zinc/39/30/16/320393016.db2.gz NAZUUUGCCVSKQO-IOBAAEILSA-N 2 2 347.459 1.597 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000283784390 443718320 /nfs/dbraw/zinc/71/83/20/443718320.db2.gz FVRIVWGMHNYJFL-CVEARBPZSA-N 2 2 349.479 1.159 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000283784390 443718324 /nfs/dbraw/zinc/71/83/24/443718324.db2.gz FVRIVWGMHNYJFL-CVEARBPZSA-N 2 2 349.479 1.159 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000276492346 443723778 /nfs/dbraw/zinc/72/37/78/443723778.db2.gz GOUQCKCHJAEFBH-UHFFFAOYSA-N 2 2 326.444 1.740 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000291034473 443737652 /nfs/dbraw/zinc/73/76/52/443737652.db2.gz WGRGQMXXGPALDV-BHIYHBOVSA-N 2 2 345.487 1.481 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000283850899 443741909 /nfs/dbraw/zinc/74/19/09/443741909.db2.gz KIQDAJMYFFGUOY-MRXNPFEDSA-N 2 2 349.479 1.016 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000276668283 443785376 /nfs/dbraw/zinc/78/53/76/443785376.db2.gz YVHXIHGQAGKIMN-UHFFFAOYSA-N 2 2 342.443 1.501 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccsc2Br)CC1 ZINC000527653722 320521729 /nfs/dbraw/zinc/52/17/29/320521729.db2.gz PHGQGSSIRDCORC-UHFFFAOYSA-N 2 2 346.294 1.764 20 0 EDADLP Cc1cc(N2CCC(NC(=O)C=Cc3c[nH]c[nH+]3)CC2)nc(C)[nH+]1 ZINC000276604468 443763073 /nfs/dbraw/zinc/76/30/73/443763073.db2.gz OSMHMTZTQCSOQG-ONEGZZNKSA-N 2 2 326.404 1.615 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000292073849 443775612 /nfs/dbraw/zinc/77/56/12/443775612.db2.gz SYEKHPXTCTVQLD-CALCHBBNSA-N 2 2 339.443 1.694 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000292073849 443775617 /nfs/dbraw/zinc/77/56/17/443775617.db2.gz SYEKHPXTCTVQLD-CALCHBBNSA-N 2 2 339.443 1.694 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000298669045 443833731 /nfs/dbraw/zinc/83/37/31/443833731.db2.gz IHBFHUDNDDWSAG-DOTOQJQBSA-N 2 2 327.432 1.970 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000298669045 443833735 /nfs/dbraw/zinc/83/37/35/443833735.db2.gz IHBFHUDNDDWSAG-DOTOQJQBSA-N 2 2 327.432 1.970 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000298833303 443880987 /nfs/dbraw/zinc/88/09/87/443880987.db2.gz VYFJSXNEBPZAMG-OAHLLOKOSA-N 2 2 347.463 1.408 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000292946269 443885461 /nfs/dbraw/zinc/88/54/61/443885461.db2.gz IFAYGEFIAUSEAZ-CVEARBPZSA-N 2 2 331.460 1.680 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000292946269 443885463 /nfs/dbraw/zinc/88/54/63/443885463.db2.gz IFAYGEFIAUSEAZ-CVEARBPZSA-N 2 2 331.460 1.680 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000292946279 443885621 /nfs/dbraw/zinc/88/56/21/443885621.db2.gz IFAYGEFIAUSEAZ-HZPDHXFCSA-N 2 2 331.460 1.680 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000292946279 443885623 /nfs/dbraw/zinc/88/56/23/443885623.db2.gz IFAYGEFIAUSEAZ-HZPDHXFCSA-N 2 2 331.460 1.680 20 0 EDADLP CCN1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000548343054 320875801 /nfs/dbraw/zinc/87/58/01/320875801.db2.gz NWTGAMFCJSYVJU-HNNXBMFYSA-N 2 2 348.495 1.672 20 0 EDADLP C[NH+]1CCC(Oc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)CC1 ZINC000285633066 444054881 /nfs/dbraw/zinc/05/48/81/444054881.db2.gz FIBZBBFUYUZHEZ-UHFFFAOYSA-N 2 2 328.416 1.673 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000299392162 444035226 /nfs/dbraw/zinc/03/52/26/444035226.db2.gz VGHUBCCESCRWEI-CABCVRRESA-N 2 2 349.479 1.446 20 0 EDADLP COc1ccc(F)c(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000293522645 444042677 /nfs/dbraw/zinc/04/26/77/444042677.db2.gz ISCHWNIQUZLJNS-QGZVFWFLSA-N 2 2 337.439 1.867 20 0 EDADLP COc1ccc(F)c(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000293522645 444042679 /nfs/dbraw/zinc/04/26/79/444042679.db2.gz ISCHWNIQUZLJNS-QGZVFWFLSA-N 2 2 337.439 1.867 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000289061650 444044989 /nfs/dbraw/zinc/04/49/89/444044989.db2.gz MBMAUAITHDPYAU-CQSZACIVSA-N 2 2 345.447 1.053 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285508265 444010335 /nfs/dbraw/zinc/01/03/35/444010335.db2.gz ANNACCFACQRSBY-ZFWWWQNUSA-N 2 2 333.432 1.515 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288938613 444017978 /nfs/dbraw/zinc/01/79/78/444017978.db2.gz FOOLYHDMODYIMN-YUELXQCFSA-N 2 2 345.447 1.062 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288938613 444017980 /nfs/dbraw/zinc/01/79/80/444017980.db2.gz FOOLYHDMODYIMN-YUELXQCFSA-N 2 2 345.447 1.062 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289228811 444082219 /nfs/dbraw/zinc/08/22/19/444082219.db2.gz CWXQFDHUBAGHKD-CRAIPNDOSA-N 2 2 330.432 1.775 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O ZINC000289228811 444082227 /nfs/dbraw/zinc/08/22/27/444082227.db2.gz CWXQFDHUBAGHKD-CRAIPNDOSA-N 2 2 330.432 1.775 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000558345319 321011625 /nfs/dbraw/zinc/01/16/25/321011625.db2.gz MVHQAZQEQLXRFA-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000558345319 321011627 /nfs/dbraw/zinc/01/16/27/321011627.db2.gz MVHQAZQEQLXRFA-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000558345319 321011628 /nfs/dbraw/zinc/01/16/28/321011628.db2.gz MVHQAZQEQLXRFA-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000558345319 321011630 /nfs/dbraw/zinc/01/16/30/321011630.db2.gz MVHQAZQEQLXRFA-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C[NH2+]1 ZINC000561131898 321034335 /nfs/dbraw/zinc/03/43/35/321034335.db2.gz IGMNCSOGLGTNME-HOTGVXAUSA-N 2 2 346.475 1.411 20 0 EDADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)NC[C@@H]1C[NH2+]CCO1 ZINC000561218296 321036791 /nfs/dbraw/zinc/03/67/91/321036791.db2.gz YYNDKOPIWZNILL-LBPRGKRZSA-N 2 2 349.822 1.313 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457034 321058740 /nfs/dbraw/zinc/05/87/40/321058740.db2.gz RJFURAJSISHAHK-ZWNOBZJWSA-N 2 2 349.859 1.297 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457034 321058741 /nfs/dbraw/zinc/05/87/41/321058741.db2.gz RJFURAJSISHAHK-ZWNOBZJWSA-N 2 2 349.859 1.297 20 0 EDADLP COc1c(Br)cccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563136734 321097864 /nfs/dbraw/zinc/09/78/64/321097864.db2.gz PTGBRIZMUOUWLC-GFCCVEGCSA-N 2 2 328.254 1.532 20 0 EDADLP COc1c(Br)cccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563136734 321097866 /nfs/dbraw/zinc/09/78/66/321097866.db2.gz PTGBRIZMUOUWLC-GFCCVEGCSA-N 2 2 328.254 1.532 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149724 321099682 /nfs/dbraw/zinc/09/96/82/321099682.db2.gz HPLKXCLCPSWVOM-MAUKXSAKSA-N 2 2 337.464 1.006 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149724 321099683 /nfs/dbraw/zinc/09/96/83/321099683.db2.gz HPLKXCLCPSWVOM-MAUKXSAKSA-N 2 2 337.464 1.006 20 0 EDADLP COCc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncn1 ZINC000563993938 321118617 /nfs/dbraw/zinc/11/86/17/321118617.db2.gz VLXOGCOJKIPIRP-SJPCQFCGSA-N 2 2 331.464 1.370 20 0 EDADLP COCc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncn1 ZINC000563993938 321118619 /nfs/dbraw/zinc/11/86/19/321118619.db2.gz VLXOGCOJKIPIRP-SJPCQFCGSA-N 2 2 331.464 1.370 20 0 EDADLP Cc1cc(N2CCC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)n(C)n1 ZINC000564823338 321149860 /nfs/dbraw/zinc/14/98/60/321149860.db2.gz KZRXSJOBYJHLMS-XYJFISCASA-N 2 2 333.480 1.054 20 0 EDADLP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)n(C)n1 ZINC000564823336 321149936 /nfs/dbraw/zinc/14/99/36/321149936.db2.gz KZRXSJOBYJHLMS-JZXOWHBKSA-N 2 2 333.480 1.054 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000289258588 444089445 /nfs/dbraw/zinc/08/94/45/444089445.db2.gz QOSBDYOVLVRPSJ-UHFFFAOYSA-N 2 2 345.447 1.141 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cncc(Br)c1 ZINC000569021155 321315077 /nfs/dbraw/zinc/31/50/77/321315077.db2.gz OGZNBSFMCIPYCS-FZMZJTMJSA-N 2 2 327.270 1.741 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c[nH+]1 ZINC000568229633 321283337 /nfs/dbraw/zinc/28/33/37/321283337.db2.gz PROQKPASFVHEEG-MRXNPFEDSA-N 2 2 331.464 1.821 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H]3C)c2)CC1 ZINC000568391382 321289375 /nfs/dbraw/zinc/28/93/75/321289375.db2.gz XCXFRSUFJOGTFY-KDOFPFPSSA-N 2 2 344.459 1.287 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)CC[NH2+]C(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000568395948 321289834 /nfs/dbraw/zinc/28/98/34/321289834.db2.gz IRESUIYLDDOODI-MRXNPFEDSA-N 3 2 347.507 1.762 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)CCN2C1=O ZINC000568533521 321296186 /nfs/dbraw/zinc/29/61/86/321296186.db2.gz UTIPKNUWYLLXNT-KBPBESRZSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)CCN2C1=O ZINC000568533521 321296187 /nfs/dbraw/zinc/29/61/87/321296187.db2.gz UTIPKNUWYLLXNT-KBPBESRZSA-N 2 2 330.363 1.225 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000568707068 321302200 /nfs/dbraw/zinc/30/22/00/321302200.db2.gz CMYPDURXHNCNHQ-HOTGVXAUSA-N 2 2 331.464 1.988 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000568707068 321302202 /nfs/dbraw/zinc/30/22/02/321302202.db2.gz CMYPDURXHNCNHQ-HOTGVXAUSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cncc(Br)c1 ZINC000569021155 321315075 /nfs/dbraw/zinc/31/50/75/321315075.db2.gz OGZNBSFMCIPYCS-FZMZJTMJSA-N 2 2 327.270 1.741 20 0 EDADLP C[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](C)[S@@](=O)CC2)CC[S@]1=O ZINC000570755411 321355920 /nfs/dbraw/zinc/35/59/20/321355920.db2.gz JBDKIPZTHFJCHW-NLZGTENKSA-N 2 2 348.578 1.452 20 0 EDADLP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[S@@](=O)CC2)CC[S@]1=O ZINC000570755411 321355922 /nfs/dbraw/zinc/35/59/22/321355922.db2.gz JBDKIPZTHFJCHW-NLZGTENKSA-N 2 2 348.578 1.452 20 0 EDADLP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[S@@](=O)CC2)CC[S@]1=O ZINC000570755411 321355924 /nfs/dbraw/zinc/35/59/24/321355924.db2.gz JBDKIPZTHFJCHW-NLZGTENKSA-N 2 2 348.578 1.452 20 0 EDADLP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[S@@](=O)CC2)CC[S@]1=O ZINC000570755411 321355925 /nfs/dbraw/zinc/35/59/25/321355925.db2.gz JBDKIPZTHFJCHW-NLZGTENKSA-N 2 2 348.578 1.452 20 0 EDADLP C[NH2+]CCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000570957886 321366910 /nfs/dbraw/zinc/36/69/10/321366910.db2.gz CUKRMLZNWBADLK-UHFFFAOYSA-N 2 2 333.432 1.102 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](CO)c3ccnn3C)c2cc1C ZINC000571562779 321392511 /nfs/dbraw/zinc/39/25/11/321392511.db2.gz WBOCXZYKKNXGSF-GDBMZVCRSA-N 2 2 343.431 1.071 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000572348740 321427074 /nfs/dbraw/zinc/42/70/74/321427074.db2.gz AQWYBBJAOWNVAZ-XWCIJXRUSA-N 2 2 339.867 1.941 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000294684892 444136489 /nfs/dbraw/zinc/13/64/89/444136489.db2.gz AESKTJDBOSYUBW-INMHGKMJSA-N 2 2 333.476 1.999 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000572659793 321433796 /nfs/dbraw/zinc/43/37/96/321433796.db2.gz QHYVCMFTPBMAJX-UHFFFAOYSA-N 2 2 327.432 1.274 20 0 EDADLP CN1CCN(c2cc(NC3CC[NH+](C4CCC4)CC3)nc[nH+]2)CC1=O ZINC000296146240 444208205 /nfs/dbraw/zinc/20/82/05/444208205.db2.gz XOWICQQZOYHKPD-UHFFFAOYSA-N 2 2 344.463 1.184 20 0 EDADLP CN1CCN(c2cc(NC3CC[NH+](C4CCC4)CC3)[nH+]cn2)CC1=O ZINC000296146240 444208207 /nfs/dbraw/zinc/20/82/07/444208207.db2.gz XOWICQQZOYHKPD-UHFFFAOYSA-N 2 2 344.463 1.184 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)nc1 ZINC000289883025 444215383 /nfs/dbraw/zinc/21/53/83/444215383.db2.gz SRCKVJZHUWEWIJ-YPMHNXCESA-N 2 2 327.270 1.741 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Br)nc1 ZINC000289883025 444215385 /nfs/dbraw/zinc/21/53/85/444215385.db2.gz SRCKVJZHUWEWIJ-YPMHNXCESA-N 2 2 327.270 1.741 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000296316656 444219421 /nfs/dbraw/zinc/21/94/21/444219421.db2.gz GQBZNBCNUZAYAQ-DZGCQCFKSA-N 2 2 336.461 1.851 20 0 EDADLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n2ncnc2n1 ZINC000301845726 444193951 /nfs/dbraw/zinc/19/39/51/444193951.db2.gz MHMXDDINFMTNLZ-XYPWUTKMSA-N 2 2 341.463 1.180 20 0 EDADLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n2ncnc2n1 ZINC000301845726 444193952 /nfs/dbraw/zinc/19/39/52/444193952.db2.gz MHMXDDINFMTNLZ-XYPWUTKMSA-N 2 2 341.463 1.180 20 0 EDADLP COC[C@H](O)C[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301860319 444194505 /nfs/dbraw/zinc/19/45/05/444194505.db2.gz DNYZUKOIVRCAEF-MRXNPFEDSA-N 2 2 349.479 1.351 20 0 EDADLP COC[C@H](O)C[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301860319 444194506 /nfs/dbraw/zinc/19/45/06/444194506.db2.gz DNYZUKOIVRCAEF-MRXNPFEDSA-N 2 2 349.479 1.351 20 0 EDADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCc2ccccc2C1 ZINC000305331374 444269275 /nfs/dbraw/zinc/26/92/75/444269275.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 3 2 329.488 1.622 20 0 EDADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCc2ccccc2C1 ZINC000305331374 444269276 /nfs/dbraw/zinc/26/92/76/444269276.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 3 2 329.488 1.622 20 0 EDADLP O[C@H](C[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000305331374 444269279 /nfs/dbraw/zinc/26/92/79/444269279.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 3 2 329.488 1.622 20 0 EDADLP O[C@H](C[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000305331374 444269282 /nfs/dbraw/zinc/26/92/82/444269282.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 3 2 329.488 1.622 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000577176384 321630046 /nfs/dbraw/zinc/63/00/46/321630046.db2.gz ROHJOZTUFBSVBE-WWGRRREGSA-N 2 2 345.447 1.943 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]1CCCO)N1CC[NH+](Cc2ccco2)CC1 ZINC000304260730 444244389 /nfs/dbraw/zinc/24/43/89/444244389.db2.gz BQUFABIGGOVWJA-MRXNPFEDSA-N 2 2 335.448 1.161 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]1CCCO)N1CC[NH+](Cc2ccco2)CC1 ZINC000304260730 444244391 /nfs/dbraw/zinc/24/43/91/444244391.db2.gz BQUFABIGGOVWJA-MRXNPFEDSA-N 2 2 335.448 1.161 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000304301495 444246071 /nfs/dbraw/zinc/24/60/71/444246071.db2.gz LPEBXEMHGNTCKY-QZTJIDSGSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000304301495 444246073 /nfs/dbraw/zinc/24/60/73/444246073.db2.gz LPEBXEMHGNTCKY-QZTJIDSGSA-N 2 2 334.460 1.389 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000297651640 444313706 /nfs/dbraw/zinc/31/37/06/444313706.db2.gz FBNIKDMMQFYVEY-HUUCEWRRSA-N 2 2 347.463 1.119 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000297544887 444298847 /nfs/dbraw/zinc/29/88/47/444298847.db2.gz BUVSNZTUDDHDLD-OAHLLOKOSA-N 2 2 342.443 1.729 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000297544887 444298849 /nfs/dbraw/zinc/29/88/49/444298849.db2.gz BUVSNZTUDDHDLD-OAHLLOKOSA-N 2 2 342.443 1.729 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[NH+]1CCC1)c1c(F)cccc1F ZINC000337725153 444375930 /nfs/dbraw/zinc/37/59/30/444375930.db2.gz LODLZFPMSWROSI-CQSZACIVSA-N 2 2 326.391 1.572 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000325461928 444365934 /nfs/dbraw/zinc/36/59/34/444365934.db2.gz STZDANLCCYLUHI-UHFFFAOYSA-N 2 2 329.448 1.145 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000328886011 444387897 /nfs/dbraw/zinc/38/78/97/444387897.db2.gz ZKSDFBJAWGVOAC-GDBMZVCRSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000328886011 444387900 /nfs/dbraw/zinc/38/79/00/444387900.db2.gz ZKSDFBJAWGVOAC-GDBMZVCRSA-N 2 2 332.448 1.379 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337767935 444396474 /nfs/dbraw/zinc/39/64/74/444396474.db2.gz UFLIROUZEIGPCE-APWZRJJASA-N 2 2 333.476 1.941 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337767935 444396479 /nfs/dbraw/zinc/39/64/79/444396479.db2.gz UFLIROUZEIGPCE-APWZRJJASA-N 2 2 333.476 1.941 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000298054198 444398385 /nfs/dbraw/zinc/39/83/85/444398385.db2.gz SVSFIQWUUCRVID-ZDUSSCGKSA-N 2 2 336.436 1.077 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000298054198 444398391 /nfs/dbraw/zinc/39/83/91/444398391.db2.gz SVSFIQWUUCRVID-ZDUSSCGKSA-N 2 2 336.436 1.077 20 0 EDADLP CN(C(=O)c1cnnn1C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000328677748 444425839 /nfs/dbraw/zinc/42/58/39/444425839.db2.gz SIKLLOVWLPLVJM-HZPDHXFCSA-N 2 2 348.495 1.224 20 0 EDADLP CN(C(=O)c1cnnn1C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000328677748 444425842 /nfs/dbraw/zinc/42/58/42/444425842.db2.gz SIKLLOVWLPLVJM-HZPDHXFCSA-N 2 2 348.495 1.224 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000579452253 321935799 /nfs/dbraw/zinc/93/57/99/321935799.db2.gz JTECMDVFPHLOQQ-HNNXBMFYSA-N 2 2 333.411 1.947 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)s1 ZINC000328681014 444428107 /nfs/dbraw/zinc/42/81/07/444428107.db2.gz NZKHUACNKOCNEH-LBPRGKRZSA-N 2 2 326.466 1.067 20 0 EDADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000340688720 444480239 /nfs/dbraw/zinc/48/02/39/444480239.db2.gz CYJSTAWGYZLOSZ-UHFFFAOYSA-N 2 2 349.475 1.157 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000579814193 321973038 /nfs/dbraw/zinc/97/30/38/321973038.db2.gz NHACFVWHSIQSGS-IYBDPMFKSA-N 2 2 329.448 1.718 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000332002088 444495235 /nfs/dbraw/zinc/49/52/35/444495235.db2.gz BXBHGZBTLSFDEB-CABCVRRESA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](CO)C2CCCCC2)C[C@@H](C)O1 ZINC000580074753 322006576 /nfs/dbraw/zinc/00/65/76/322006576.db2.gz FUCIYEYVRYNPOF-XYVMCAHJSA-N 2 2 328.497 1.235 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000580420808 322048125 /nfs/dbraw/zinc/04/81/25/322048125.db2.gz RORFVRULJABHAX-OAHLLOKOSA-N 2 2 349.479 1.494 20 0 EDADLP [NH3+]C1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCC1 ZINC000580949128 322116146 /nfs/dbraw/zinc/11/61/46/322116146.db2.gz DXZOURRGDAHEIM-UHFFFAOYSA-N 2 2 330.432 1.087 20 0 EDADLP O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342139897 444529568 /nfs/dbraw/zinc/52/95/68/444529568.db2.gz UCPWXSIWBSAYJQ-IPMKNSEASA-N 2 2 343.471 1.488 20 0 EDADLP O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342139897 444529572 /nfs/dbraw/zinc/52/95/72/444529572.db2.gz UCPWXSIWBSAYJQ-IPMKNSEASA-N 2 2 343.471 1.488 20 0 EDADLP O=C1NC[C@@H]2[C@H]1CCC[NH+]2C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342139897 444529576 /nfs/dbraw/zinc/52/95/76/444529576.db2.gz UCPWXSIWBSAYJQ-IPMKNSEASA-N 2 2 343.471 1.488 20 0 EDADLP O=C1NC[C@@H]2[C@H]1CCC[NH+]2C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342139897 444529581 /nfs/dbraw/zinc/52/95/81/444529581.db2.gz UCPWXSIWBSAYJQ-IPMKNSEASA-N 2 2 343.471 1.488 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c1 ZINC000343777041 444583571 /nfs/dbraw/zinc/58/35/71/444583571.db2.gz XIERWZLOPJUDAP-GOOCMWNKSA-N 2 2 338.411 1.840 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000338292239 444614538 /nfs/dbraw/zinc/61/45/38/444614538.db2.gz RNAIJWKRTFFXDE-LSDHHAIUSA-N 2 2 348.472 1.804 20 0 EDADLP CN(C(=O)c1cn(C)nn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000329630555 444656692 /nfs/dbraw/zinc/65/66/92/444656692.db2.gz HXYZSLYXAXYLTJ-IAGOWNOFSA-N 2 2 348.495 1.224 20 0 EDADLP CN(C(=O)c1cn(C)nn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000329630555 444656697 /nfs/dbraw/zinc/65/66/97/444656697.db2.gz HXYZSLYXAXYLTJ-IAGOWNOFSA-N 2 2 348.495 1.224 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000333415468 444666114 /nfs/dbraw/zinc/66/61/14/444666114.db2.gz HFYLALYNZRBYQF-HOCLYGCPSA-N 2 2 332.448 1.520 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000333415468 444666117 /nfs/dbraw/zinc/66/61/17/444666117.db2.gz HFYLALYNZRBYQF-HOCLYGCPSA-N 2 2 332.448 1.520 20 0 EDADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000341095556 444671219 /nfs/dbraw/zinc/67/12/19/444671219.db2.gz VUXLETNAYFEYFN-MRXNPFEDSA-N 2 2 349.479 1.472 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)[N@H+](C)C1 ZINC000343878086 444641782 /nfs/dbraw/zinc/64/17/82/444641782.db2.gz ZWBBOGKTPCNWCG-BZUAXINKSA-N 2 2 333.480 1.868 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)[N@@H+](C)C1 ZINC000343878086 444641786 /nfs/dbraw/zinc/64/17/86/444641786.db2.gz ZWBBOGKTPCNWCG-BZUAXINKSA-N 2 2 333.480 1.868 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343886106 444646782 /nfs/dbraw/zinc/64/67/82/444646782.db2.gz IXJQPRVKVFIQQQ-OKZBNKHCSA-N 2 2 338.540 1.495 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343886106 444646783 /nfs/dbraw/zinc/64/67/83/444646783.db2.gz IXJQPRVKVFIQQQ-OKZBNKHCSA-N 2 2 338.540 1.495 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CC(=O)Nc2ccccc21 ZINC000333897888 444711890 /nfs/dbraw/zinc/71/18/90/444711890.db2.gz YOORHSRSUUSMAF-GOEBONIOSA-N 2 2 342.443 1.436 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N1CC(=O)Nc2ccccc21 ZINC000333897888 444711892 /nfs/dbraw/zinc/71/18/92/444711892.db2.gz YOORHSRSUUSMAF-GOEBONIOSA-N 2 2 342.443 1.436 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000341237257 444743688 /nfs/dbraw/zinc/74/36/88/444743688.db2.gz OUJNHDPISGITML-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000341237257 444743693 /nfs/dbraw/zinc/74/36/93/444743693.db2.gz OUJNHDPISGITML-HUUCEWRRSA-N 2 2 326.485 1.079 20 0 EDADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+]3CCOCC3)CC1)CO2 ZINC000344092149 444777129 /nfs/dbraw/zinc/77/71/29/444777129.db2.gz AUTLZXMVQPRCSO-SFHVURJKSA-N 2 2 349.450 1.645 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000330000449 444805951 /nfs/dbraw/zinc/80/59/51/444805951.db2.gz WKUKAKFHIPXPPO-KSSFIOAISA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000330000449 444805954 /nfs/dbraw/zinc/80/59/54/444805954.db2.gz WKUKAKFHIPXPPO-KSSFIOAISA-N 2 2 328.416 1.956 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+]C2CC[NH+](C)CC2)cc[nH+]1 ZINC000341393052 444809268 /nfs/dbraw/zinc/80/92/68/444809268.db2.gz YULCFMBVQWIVRY-UKRRQHHQSA-N 3 2 336.459 1.143 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000342698318 444821624 /nfs/dbraw/zinc/82/16/24/444821624.db2.gz SRZVXQVSYNSESQ-DOTOQJQBSA-N 2 2 326.444 1.978 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@H]21 ZINC000342703578 444824751 /nfs/dbraw/zinc/82/47/51/444824751.db2.gz DWOSVRQMYMSSOZ-GUDVDZBRSA-N 2 2 343.471 1.718 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342718987 444832851 /nfs/dbraw/zinc/83/28/51/444832851.db2.gz XODXUDVLOGHPJA-AWEZNQCLSA-N 2 2 338.402 1.933 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]4C(=O)N(C)C[C@@H]43)sc2C1 ZINC000344258683 444867234 /nfs/dbraw/zinc/86/72/34/444867234.db2.gz ZVQKFDBXSJTLRZ-ZFWWWQNUSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]4C(=O)N(C)C[C@@H]43)sc2C1 ZINC000344258683 444867241 /nfs/dbraw/zinc/86/72/41/444867241.db2.gz ZVQKFDBXSJTLRZ-ZFWWWQNUSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]4C(=O)N(C)C[C@@H]43)sc2C1 ZINC000344258683 444867246 /nfs/dbraw/zinc/86/72/46/444867246.db2.gz ZVQKFDBXSJTLRZ-ZFWWWQNUSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H]4C(=O)N(C)C[C@@H]43)sc2C1 ZINC000344258683 444867253 /nfs/dbraw/zinc/86/72/53/444867253.db2.gz ZVQKFDBXSJTLRZ-ZFWWWQNUSA-N 2 2 348.516 1.962 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCn2cnnc2C2CC2)CC1 ZINC000342802444 444873511 /nfs/dbraw/zinc/87/35/11/444873511.db2.gz MILUBBXWCPZFJV-UHFFFAOYSA-N 2 2 335.452 1.163 20 0 EDADLP Cc1[nH]c2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc2[nH+]1 ZINC000344328398 444901322 /nfs/dbraw/zinc/90/13/22/444901322.db2.gz VOISQLRAADJNGM-LBPRGKRZSA-N 2 2 329.404 1.220 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000342885763 444917759 /nfs/dbraw/zinc/91/77/59/444917759.db2.gz UXSVXOPSTRTBKI-RDJZCZTQSA-N 2 2 326.444 1.940 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000342885763 444917761 /nfs/dbraw/zinc/91/77/61/444917761.db2.gz UXSVXOPSTRTBKI-RDJZCZTQSA-N 2 2 326.444 1.940 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)N(C)Cc3[nH+]ccn3C)CC2)[nH+]c1 ZINC000341841791 445028377 /nfs/dbraw/zinc/02/83/77/445028377.db2.gz OKPHUZUKNPJZCT-UHFFFAOYSA-N 2 2 342.447 1.934 20 0 EDADLP COc1c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)nn1C ZINC000344521331 445031483 /nfs/dbraw/zinc/03/14/83/445031483.db2.gz GQVUOHIDUNEART-IBGZPJMESA-N 2 2 344.459 1.464 20 0 EDADLP COc1c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)nn1C ZINC000344521331 445031491 /nfs/dbraw/zinc/03/14/91/445031491.db2.gz GQVUOHIDUNEART-IBGZPJMESA-N 2 2 344.459 1.464 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NCC[NH+]1CCC1)[NH+]1CCOCC1 ZINC000337377325 445054312 /nfs/dbraw/zinc/05/43/12/445054312.db2.gz BCHUZDHXMVTOLA-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000337558026 445135965 /nfs/dbraw/zinc/13/59/65/445135965.db2.gz YKARDPQBXRLNAK-INIZCTEOSA-N 2 2 330.476 1.491 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000337558026 445135968 /nfs/dbraw/zinc/13/59/68/445135968.db2.gz YKARDPQBXRLNAK-INIZCTEOSA-N 2 2 330.476 1.491 20 0 EDADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000337480018 445098975 /nfs/dbraw/zinc/09/89/75/445098975.db2.gz QESBAFAULWRSJZ-HRCADAONSA-N 2 2 334.464 1.706 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)C1CC[NH+](CC(F)F)CC1 ZINC000339262452 445122165 /nfs/dbraw/zinc/12/21/65/445122165.db2.gz BHLQTYAKIVFLCP-UHFFFAOYSA-N 2 2 329.435 1.954 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)NCc2ccccc2Cn2cccn2)CCC1 ZINC000342123453 445184995 /nfs/dbraw/zinc/18/49/95/445184995.db2.gz CDKBGQLPDRXTAZ-UHFFFAOYSA-N 2 2 327.432 1.019 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)CCC2 ZINC000337581390 445149300 /nfs/dbraw/zinc/14/93/00/445149300.db2.gz BNECDNMSDQKILN-HOCLYGCPSA-N 2 2 349.479 1.336 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342077404 445160013 /nfs/dbraw/zinc/16/00/13/445160013.db2.gz BPHCMODJABNQMY-IAOVAPTHSA-N 2 2 338.473 1.528 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342077404 445160016 /nfs/dbraw/zinc/16/00/16/445160016.db2.gz BPHCMODJABNQMY-IAOVAPTHSA-N 2 2 338.473 1.528 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000345073740 445160696 /nfs/dbraw/zinc/16/06/96/445160696.db2.gz OKCVDCFHTCFSOU-ZACQAIPSSA-N 2 2 330.476 1.954 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000345073740 445160699 /nfs/dbraw/zinc/16/06/99/445160699.db2.gz OKCVDCFHTCFSOU-ZACQAIPSSA-N 2 2 330.476 1.954 20 0 EDADLP COC(=O)c1occc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000343566605 445245428 /nfs/dbraw/zinc/24/54/28/445245428.db2.gz IMGGPTYTGGQSNW-UHFFFAOYSA-N 2 2 344.415 1.503 20 0 EDADLP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H](C(C)=O)C(C)C)CC1 ZINC000343570912 445245955 /nfs/dbraw/zinc/24/59/55/445245955.db2.gz SRZXTLLIQKQIHM-SFHVURJKSA-N 2 2 325.497 1.770 20 0 EDADLP O=S1(=O)CCCN1CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348325245 445256650 /nfs/dbraw/zinc/25/66/50/445256650.db2.gz QTJSCFLBUBTBBD-QZTJIDSGSA-N 2 2 349.500 1.086 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2cccnc2)cc[nH+]1 ZINC000348161769 445295955 /nfs/dbraw/zinc/29/59/55/445295955.db2.gz BQMIHXGFZJCVID-HZPDHXFCSA-N 2 2 344.438 1.986 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)Cc2cccnc2)cc[nH+]1 ZINC000348161769 445295957 /nfs/dbraw/zinc/29/59/57/445295957.db2.gz BQMIHXGFZJCVID-HZPDHXFCSA-N 2 2 344.438 1.986 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](C)[NH+](C)C)c2)cc[nH+]1 ZINC000348604441 445336472 /nfs/dbraw/zinc/33/64/72/445336472.db2.gz YNVMOIRSXAMMLA-CYBMUJFWSA-N 2 2 327.432 2.077 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000351859082 445345400 /nfs/dbraw/zinc/34/54/00/445345400.db2.gz ZTMBWVRGMMHKGR-MNOVXSKESA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000351859082 445345401 /nfs/dbraw/zinc/34/54/01/445345401.db2.gz ZTMBWVRGMMHKGR-MNOVXSKESA-N 2 2 341.839 1.965 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000351861347 445346279 /nfs/dbraw/zinc/34/62/79/445346279.db2.gz KXZMORIWDILEOE-KZUMUSTHSA-N 2 2 348.491 1.450 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000351861347 445346281 /nfs/dbraw/zinc/34/62/81/445346281.db2.gz KXZMORIWDILEOE-KZUMUSTHSA-N 2 2 348.491 1.450 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351864909 445347725 /nfs/dbraw/zinc/34/77/25/445347725.db2.gz ZQYWWNPQZYAQHL-MBNYWOFBSA-N 2 2 348.447 1.650 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351864909 445347728 /nfs/dbraw/zinc/34/77/28/445347728.db2.gz ZQYWWNPQZYAQHL-MBNYWOFBSA-N 2 2 348.447 1.650 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc[nH+]1 ZINC000362424216 445375304 /nfs/dbraw/zinc/37/53/04/445375304.db2.gz GKXRFNBIPZPVSX-WMLDXEAASA-N 2 2 331.464 1.302 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000357068241 445405045 /nfs/dbraw/zinc/40/50/45/445405045.db2.gz GGTQWDBCDYXNKW-UHFFFAOYSA-N 2 2 345.365 1.439 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357076108 445410300 /nfs/dbraw/zinc/41/03/00/445410300.db2.gz HTGCDJVCOLTADP-IRXDYDNUSA-N 2 2 331.460 1.421 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357076108 445410304 /nfs/dbraw/zinc/41/03/04/445410304.db2.gz HTGCDJVCOLTADP-IRXDYDNUSA-N 2 2 331.460 1.421 20 0 EDADLP NC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000357083863 445417352 /nfs/dbraw/zinc/41/73/52/445417352.db2.gz QNACVDXPJLSMAA-LSDHHAIUSA-N 2 2 342.468 1.950 20 0 EDADLP NC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000357083863 445417355 /nfs/dbraw/zinc/41/73/55/445417355.db2.gz QNACVDXPJLSMAA-LSDHHAIUSA-N 2 2 342.468 1.950 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@H]1[NH+](C)C ZINC000359776043 445421471 /nfs/dbraw/zinc/42/14/71/445421471.db2.gz VNDMXXLEBOWMFN-MAUKXSAKSA-N 2 2 331.460 1.541 20 0 EDADLP c1cc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)cc2c1OCO2 ZINC000357091758 445422326 /nfs/dbraw/zinc/42/23/26/445422326.db2.gz WWHWXEGXNUIJSL-QWHCGFSZSA-N 2 2 328.372 1.507 20 0 EDADLP c1cc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)cc2c1OCO2 ZINC000357091758 445422329 /nfs/dbraw/zinc/42/23/29/445422329.db2.gz WWHWXEGXNUIJSL-QWHCGFSZSA-N 2 2 328.372 1.507 20 0 EDADLP CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000359776986 445422924 /nfs/dbraw/zinc/42/29/24/445422924.db2.gz DILJIDUVTJRNHQ-RTBURBONSA-N 2 2 345.487 1.688 20 0 EDADLP CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000359776986 445422929 /nfs/dbraw/zinc/42/29/29/445422929.db2.gz DILJIDUVTJRNHQ-RTBURBONSA-N 2 2 345.487 1.688 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000359778276 445423772 /nfs/dbraw/zinc/42/37/72/445423772.db2.gz NDQYAUVXZFICQG-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000359778276 445423779 /nfs/dbraw/zinc/42/37/79/445423779.db2.gz NDQYAUVXZFICQG-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000359778276 445423784 /nfs/dbraw/zinc/42/37/84/445423784.db2.gz NDQYAUVXZFICQG-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000359778276 445423791 /nfs/dbraw/zinc/42/37/91/445423791.db2.gz NDQYAUVXZFICQG-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000348932575 445446419 /nfs/dbraw/zinc/44/64/19/445446419.db2.gz YBGKJWROCIZNKW-CXAGYDPISA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000348932575 445446424 /nfs/dbraw/zinc/44/64/24/445446424.db2.gz YBGKJWROCIZNKW-CXAGYDPISA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000348932575 445446427 /nfs/dbraw/zinc/44/64/27/445446427.db2.gz YBGKJWROCIZNKW-CXAGYDPISA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000348932575 445446431 /nfs/dbraw/zinc/44/64/31/445446431.db2.gz YBGKJWROCIZNKW-CXAGYDPISA-N 2 2 330.436 1.193 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000362710836 445512787 /nfs/dbraw/zinc/51/27/87/445512787.db2.gz LTNZNMIIMQRRAU-HOTGVXAUSA-N 2 2 349.479 1.592 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000362710836 445512792 /nfs/dbraw/zinc/51/27/92/445512792.db2.gz LTNZNMIIMQRRAU-HOTGVXAUSA-N 2 2 349.479 1.592 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COCc3ccccc3)C2)CC1 ZINC000362711554 445513042 /nfs/dbraw/zinc/51/30/42/445513042.db2.gz QQNPKSHEMVAUMS-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COCc3ccccc3)C2)CC1 ZINC000362711554 445513047 /nfs/dbraw/zinc/51/30/47/445513047.db2.gz QQNPKSHEMVAUMS-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000362681582 445497344 /nfs/dbraw/zinc/49/73/44/445497344.db2.gz QRLGFPUQCKETKP-INIZCTEOSA-N 2 2 331.464 1.846 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000362681582 445497347 /nfs/dbraw/zinc/49/73/47/445497347.db2.gz QRLGFPUQCKETKP-INIZCTEOSA-N 2 2 331.464 1.846 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000359952932 445502424 /nfs/dbraw/zinc/50/24/24/445502424.db2.gz RKSKWJYLIKHAQJ-GOEBONIOSA-N 2 2 347.459 1.405 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000362693805 445503480 /nfs/dbraw/zinc/50/34/80/445503480.db2.gz OKHRHIDQWYDTCS-AWEZNQCLSA-N 2 2 339.386 1.684 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000362693805 445503483 /nfs/dbraw/zinc/50/34/83/445503483.db2.gz OKHRHIDQWYDTCS-AWEZNQCLSA-N 2 2 339.386 1.684 20 0 EDADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000362802055 445556304 /nfs/dbraw/zinc/55/63/04/445556304.db2.gz KBIQQNRGAJCLJF-HOTGVXAUSA-N 2 2 349.500 1.579 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@@H]1CNc1cc[nH+]c(N(C)C)n1 ZINC000357461960 445560549 /nfs/dbraw/zinc/56/05/49/445560549.db2.gz STIVILSHCHUZGX-UONOGXRCSA-N 2 2 348.426 2.172 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@@H]1CNc1cc[nH+]c(N(C)C)n1 ZINC000357461960 445560551 /nfs/dbraw/zinc/56/05/51/445560551.db2.gz STIVILSHCHUZGX-UONOGXRCSA-N 2 2 348.426 2.172 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000352900560 445563928 /nfs/dbraw/zinc/56/39/28/445563928.db2.gz MNIYIOKYCFAWFO-MRXNPFEDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000352900560 445563933 /nfs/dbraw/zinc/56/39/33/445563933.db2.gz MNIYIOKYCFAWFO-MRXNPFEDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000352900560 445563937 /nfs/dbraw/zinc/56/39/37/445563937.db2.gz MNIYIOKYCFAWFO-MRXNPFEDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000352900560 445563939 /nfs/dbraw/zinc/56/39/39/445563939.db2.gz MNIYIOKYCFAWFO-MRXNPFEDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826617 445567731 /nfs/dbraw/zinc/56/77/31/445567731.db2.gz OZCZWVZWQKXQLA-KBPBESRZSA-N 2 2 334.464 1.929 20 0 EDADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826617 445567735 /nfs/dbraw/zinc/56/77/35/445567735.db2.gz OZCZWVZWQKXQLA-KBPBESRZSA-N 2 2 334.464 1.929 20 0 EDADLP CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832556 445572693 /nfs/dbraw/zinc/57/26/93/445572693.db2.gz ZYVITKFPFLQJOJ-MRXNPFEDSA-N 2 2 344.459 1.084 20 0 EDADLP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832556 445572698 /nfs/dbraw/zinc/57/26/98/445572698.db2.gz ZYVITKFPFLQJOJ-MRXNPFEDSA-N 2 2 344.459 1.084 20 0 EDADLP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccn(C)n1 ZINC000349503325 445600563 /nfs/dbraw/zinc/60/05/63/445600563.db2.gz AQJZKZIQOXVCOM-KBPBESRZSA-N 2 2 329.452 1.962 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000356102542 445622958 /nfs/dbraw/zinc/62/29/58/445622958.db2.gz WSGSIVGPTQEUKA-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353520945 445639549 /nfs/dbraw/zinc/63/95/49/445639549.db2.gz QCXHZDGRSOQOJR-RDTXWAMCSA-N 2 2 328.416 1.470 20 0 EDADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(=O)[nH]n1 ZINC000353520945 445639554 /nfs/dbraw/zinc/63/95/54/445639554.db2.gz QCXHZDGRSOQOJR-RDTXWAMCSA-N 2 2 328.416 1.470 20 0 EDADLP Cn1c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)nc2ccccc21 ZINC000353672504 445701436 /nfs/dbraw/zinc/70/14/36/445701436.db2.gz NYKPLVKRZJSOCV-UHFFFAOYSA-N 2 2 343.475 1.655 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CCCCO)CC1 ZINC000349938110 445726833 /nfs/dbraw/zinc/72/68/33/445726833.db2.gz VPJCCDUHRGUSLW-KRWDZBQOSA-N 2 2 333.476 1.596 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CCCCO)CC1 ZINC000349938110 445726838 /nfs/dbraw/zinc/72/68/38/445726838.db2.gz VPJCCDUHRGUSLW-KRWDZBQOSA-N 2 2 333.476 1.596 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000363303797 445758792 /nfs/dbraw/zinc/75/87/92/445758792.db2.gz UIMDCXRGYSFJEP-SFHVURJKSA-N 2 2 345.487 1.001 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000353805322 445765094 /nfs/dbraw/zinc/76/50/94/445765094.db2.gz DFOFWGSDVDOCDW-JKSUJKDBSA-N 2 2 336.505 1.812 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000353805322 445765097 /nfs/dbraw/zinc/76/50/97/445765097.db2.gz DFOFWGSDVDOCDW-JKSUJKDBSA-N 2 2 336.505 1.812 20 0 EDADLP Cn1c[nH+]cc1Cc1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000350402177 445823164 /nfs/dbraw/zinc/82/31/64/445823164.db2.gz UMDCBHXUYPKXPS-UHFFFAOYSA-N 2 2 339.399 1.893 20 0 EDADLP COc1cc[nH+]c(CN2CCN(c3cc[nH+]cc3OC)CC2)c1OC ZINC000361517344 445798775 /nfs/dbraw/zinc/79/87/75/445798775.db2.gz CCBPNDMUPVJRQG-UHFFFAOYSA-N 2 2 344.415 1.825 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000361517910 445798792 /nfs/dbraw/zinc/79/87/92/445798792.db2.gz GJAASBBFIPKMRX-UHFFFAOYSA-N 2 2 340.427 1.529 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccnc(C[NH3+])c1)C2 ZINC000361617442 445849660 /nfs/dbraw/zinc/84/96/60/445849660.db2.gz VYZZUMPXLUEKEA-CYBMUJFWSA-N 2 2 327.432 1.779 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000363539804 445850876 /nfs/dbraw/zinc/85/08/76/445850876.db2.gz PBSWJSNVGBRMHI-RBUKOAKNSA-N 2 2 342.487 1.504 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000363539804 445850882 /nfs/dbraw/zinc/85/08/82/445850882.db2.gz PBSWJSNVGBRMHI-RBUKOAKNSA-N 2 2 342.487 1.504 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C2CC2)CCOCC1 ZINC000364047765 445893134 /nfs/dbraw/zinc/89/31/34/445893134.db2.gz KNUBDMCNXIGSTC-UHFFFAOYSA-N 2 2 337.508 1.678 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C2CC2)CCOCC1 ZINC000364047765 445893139 /nfs/dbraw/zinc/89/31/39/445893139.db2.gz KNUBDMCNXIGSTC-UHFFFAOYSA-N 2 2 337.508 1.678 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000356652391 445916206 /nfs/dbraw/zinc/91/62/06/445916206.db2.gz NFJQYNCXBFTZAD-GJZGRUSLSA-N 2 2 348.495 1.258 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000356652391 445916207 /nfs/dbraw/zinc/91/62/07/445916207.db2.gz NFJQYNCXBFTZAD-GJZGRUSLSA-N 2 2 348.495 1.258 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000361751635 445916831 /nfs/dbraw/zinc/91/68/31/445916831.db2.gz OFHADDJCZSKLKY-CVEARBPZSA-N 2 2 332.448 1.419 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000361751635 445916838 /nfs/dbraw/zinc/91/68/38/445916838.db2.gz OFHADDJCZSKLKY-CVEARBPZSA-N 2 2 332.448 1.419 20 0 EDADLP C[NH+](C)CC1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCCC1 ZINC000369146124 445952828 /nfs/dbraw/zinc/95/28/28/445952828.db2.gz WGHHDDYXGSMRPS-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+](C)CC1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCCC1 ZINC000369146124 445952835 /nfs/dbraw/zinc/95/28/35/445952835.db2.gz WGHHDDYXGSMRPS-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000369156274 445957830 /nfs/dbraw/zinc/95/78/30/445957830.db2.gz NWVRCWFBPXPTPQ-KRWDZBQOSA-N 2 2 338.540 1.639 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCc2ccccc21 ZINC000369171622 445967793 /nfs/dbraw/zinc/96/77/93/445967793.db2.gz LJTIMOBGGGTYDZ-HXUWFJFHSA-N 2 2 345.487 1.617 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCc2ccccc21 ZINC000369171622 445967799 /nfs/dbraw/zinc/96/77/99/445967799.db2.gz LJTIMOBGGGTYDZ-HXUWFJFHSA-N 2 2 345.487 1.617 20 0 EDADLP CN(C(=O)c1cc(C2CC2)no1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369199102 445988100 /nfs/dbraw/zinc/98/81/00/445988100.db2.gz SIDCGULJUMIFMY-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP CN(C(=O)c1cc(C2CC2)no1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369199102 445988105 /nfs/dbraw/zinc/98/81/05/445988105.db2.gz SIDCGULJUMIFMY-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000582712674 325908665 /nfs/dbraw/zinc/90/86/65/325908665.db2.gz UHCJTTQPXOCUKY-UHFFFAOYSA-N 2 2 328.420 1.978 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000359169461 445996464 /nfs/dbraw/zinc/99/64/64/445996464.db2.gz UESKSKGUXULFAH-HNNXBMFYSA-N 2 2 328.416 1.741 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000359169461 445996466 /nfs/dbraw/zinc/99/64/66/445996466.db2.gz UESKSKGUXULFAH-HNNXBMFYSA-N 2 2 328.416 1.741 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C2/CCOc3ccccc32)CC1 ZINC000365094434 446019236 /nfs/dbraw/zinc/01/92/36/446019236.db2.gz SSSGBFUNOBAQCL-NXVVXOECSA-N 2 2 343.471 1.995 20 0 EDADLP CCN(CCOC)c1cccc(CN2CC[NH+](CCOC)CC2)[nH+]1 ZINC000351335126 446035323 /nfs/dbraw/zinc/03/53/23/446035323.db2.gz GJGCGZLLAPJIDE-UHFFFAOYSA-N 2 2 336.480 1.318 20 0 EDADLP CSC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000365118220 446037478 /nfs/dbraw/zinc/03/74/78/446037478.db2.gz GWAFZGUAAONSDR-OAHLLOKOSA-N 2 2 340.537 1.692 20 0 EDADLP CSC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000365118220 446037485 /nfs/dbraw/zinc/03/74/85/446037485.db2.gz GWAFZGUAAONSDR-OAHLLOKOSA-N 2 2 340.537 1.692 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@@H]1C ZINC000354219014 446012938 /nfs/dbraw/zinc/01/29/38/446012938.db2.gz CHGNAYUFXUTWDE-WNRNVDISSA-N 2 2 337.508 1.961 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@@H]1C ZINC000354219014 446012943 /nfs/dbraw/zinc/01/29/43/446012943.db2.gz CHGNAYUFXUTWDE-WNRNVDISSA-N 2 2 337.508 1.961 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@@H]1C ZINC000354219014 446012949 /nfs/dbraw/zinc/01/29/49/446012949.db2.gz CHGNAYUFXUTWDE-WNRNVDISSA-N 2 2 337.508 1.961 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[C@@H]1C ZINC000354219014 446012955 /nfs/dbraw/zinc/01/29/55/446012955.db2.gz CHGNAYUFXUTWDE-WNRNVDISSA-N 2 2 337.508 1.961 20 0 EDADLP CCC[NH+]1CCC(CNc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000583115939 326002731 /nfs/dbraw/zinc/00/27/31/326002731.db2.gz HRMCCLMCMKWXCJ-UHFFFAOYSA-N 2 2 343.475 1.412 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000583381591 326062217 /nfs/dbraw/zinc/06/22/17/326062217.db2.gz RIDVNZCJHLEXCP-IAGOWNOFSA-N 2 2 326.868 1.680 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000583381591 326062218 /nfs/dbraw/zinc/06/22/18/326062218.db2.gz RIDVNZCJHLEXCP-IAGOWNOFSA-N 2 2 326.868 1.680 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CCCO1 ZINC000583487613 326081154 /nfs/dbraw/zinc/08/11/54/326081154.db2.gz MBKNDAQWQYZCOB-HNNXBMFYSA-N 2 2 344.415 1.398 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CCCO1 ZINC000583487613 326081155 /nfs/dbraw/zinc/08/11/55/326081155.db2.gz MBKNDAQWQYZCOB-HNNXBMFYSA-N 2 2 344.415 1.398 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)CN1CC[NH+]1CCOCC1 ZINC000356835030 446057344 /nfs/dbraw/zinc/05/73/44/446057344.db2.gz GLJLGXYCSKUDJT-KSZLIROESA-N 2 2 335.492 1.478 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000583860844 326153656 /nfs/dbraw/zinc/15/36/56/326153656.db2.gz PVQCCIUQOLXWAK-DLBZAZTESA-N 2 2 327.432 1.718 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000351455882 446070001 /nfs/dbraw/zinc/07/00/01/446070001.db2.gz VYPMCUPBTHIKPA-OAHLLOKOSA-N 2 2 327.423 1.360 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000351455882 446070009 /nfs/dbraw/zinc/07/00/09/446070009.db2.gz VYPMCUPBTHIKPA-OAHLLOKOSA-N 2 2 327.423 1.360 20 0 EDADLP Cc1cccnc1CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373166056 446068905 /nfs/dbraw/zinc/06/89/05/446068905.db2.gz LADZZUCPCLHYKW-MRXNPFEDSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1cccnc1CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373166056 446068913 /nfs/dbraw/zinc/06/89/13/446068913.db2.gz LADZZUCPCLHYKW-MRXNPFEDSA-N 2 2 345.491 1.700 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000356864939 446079863 /nfs/dbraw/zinc/07/98/63/446079863.db2.gz WYUJLXSZXRQFJK-ZHALLVOQSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000356864939 446079866 /nfs/dbraw/zinc/07/98/66/446079866.db2.gz WYUJLXSZXRQFJK-ZHALLVOQSA-N 2 2 344.503 1.526 20 0 EDADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1cncc(F)c1 ZINC000359251919 446086521 /nfs/dbraw/zinc/08/65/21/446086521.db2.gz XQSUBIXFUOYYRP-HNNXBMFYSA-N 2 2 336.455 1.668 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1cncc(F)c1 ZINC000359251919 446086529 /nfs/dbraw/zinc/08/65/29/446086529.db2.gz XQSUBIXFUOYYRP-HNNXBMFYSA-N 2 2 336.455 1.668 20 0 EDADLP CC(C)C[N@@H+]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000369582382 446133010 /nfs/dbraw/zinc/13/30/10/446133010.db2.gz NKHSELRYMRQQGZ-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)C[N@H+]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000369582382 446133015 /nfs/dbraw/zinc/13/30/15/446133015.db2.gz NKHSELRYMRQQGZ-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP CN(C(=O)c1n[nH]c2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365231841 446091548 /nfs/dbraw/zinc/09/15/48/446091548.db2.gz ZQNOCLCJPTYVOT-HNNXBMFYSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1n[nH]c2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365231841 446091551 /nfs/dbraw/zinc/09/15/51/446091551.db2.gz ZQNOCLCJPTYVOT-HNNXBMFYSA-N 2 2 341.459 1.803 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000373206691 446096850 /nfs/dbraw/zinc/09/68/50/446096850.db2.gz UNPVFCGENBNXCN-PKOBYXMFSA-N 2 2 344.503 1.746 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000373206691 446096857 /nfs/dbraw/zinc/09/68/57/446096857.db2.gz UNPVFCGENBNXCN-PKOBYXMFSA-N 2 2 344.503 1.746 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000369353266 446097027 /nfs/dbraw/zinc/09/70/27/446097027.db2.gz BOWXBJQUJYRKKZ-QFBILLFUSA-N 2 2 348.535 1.488 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000369353266 446097035 /nfs/dbraw/zinc/09/70/35/446097035.db2.gz BOWXBJQUJYRKKZ-QFBILLFUSA-N 2 2 348.535 1.488 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(OC(F)(F)F)cc1 ZINC000359309875 446140202 /nfs/dbraw/zinc/14/02/02/446140202.db2.gz QODSXRVHBARNOM-CHWSQXEVSA-N 2 2 343.349 1.353 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCS(=O)(=O)c3ccc(F)cc3)C[C@@H]12 ZINC000351495695 446099767 /nfs/dbraw/zinc/09/97/67/446099767.db2.gz PWVHYEUYTKGKNZ-APHBMKBZSA-N 2 2 326.437 1.659 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCS(=O)(=O)c3ccc(F)cc3)C[C@@H]12 ZINC000351495695 446099771 /nfs/dbraw/zinc/09/97/71/446099771.db2.gz PWVHYEUYTKGKNZ-APHBMKBZSA-N 2 2 326.437 1.659 20 0 EDADLP CCOCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365258186 446106796 /nfs/dbraw/zinc/10/67/96/446106796.db2.gz CNKGJHKQCGQPHN-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCOCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365258186 446106804 /nfs/dbraw/zinc/10/68/04/446106804.db2.gz CNKGJHKQCGQPHN-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP Cn1cc(CCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000369661452 446140956 /nfs/dbraw/zinc/14/09/56/446140956.db2.gz PJCMBNRKJUKZFT-UHFFFAOYSA-N 2 2 347.507 1.419 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1OC1CCCC1 ZINC000359292833 446127986 /nfs/dbraw/zinc/12/79/86/446127986.db2.gz AEIJWPOWZAEIRO-CALCHBBNSA-N 2 2 343.471 1.775 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1OC1CCCC1 ZINC000359292833 446127992 /nfs/dbraw/zinc/12/79/92/446127992.db2.gz AEIJWPOWZAEIRO-CALCHBBNSA-N 2 2 343.471 1.775 20 0 EDADLP C[C@H]1CC(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000354376006 446158824 /nfs/dbraw/zinc/15/88/24/446158824.db2.gz AMGLIDBDYRZZIY-GJZGRUSLSA-N 2 2 325.497 1.674 20 0 EDADLP C[C@H]1CC(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000354376006 446158830 /nfs/dbraw/zinc/15/88/30/446158830.db2.gz AMGLIDBDYRZZIY-GJZGRUSLSA-N 2 2 325.497 1.674 20 0 EDADLP O=C1[C@@H]([NH2+][C@@H]2CCCc3occc32)CCCN1CC[NH+]1CCOCC1 ZINC000370080543 446182776 /nfs/dbraw/zinc/18/27/76/446182776.db2.gz GCCVBPDOBHOPAO-SJORKVTESA-N 2 2 347.459 1.570 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000369676562 446144230 /nfs/dbraw/zinc/14/42/30/446144230.db2.gz QMKZPRINZFUURW-HOCLYGCPSA-N 2 2 332.448 1.472 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000369676562 446144234 /nfs/dbraw/zinc/14/42/34/446144234.db2.gz QMKZPRINZFUURW-HOCLYGCPSA-N 2 2 332.448 1.472 20 0 EDADLP CN(C)c1nc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc[nH+]1 ZINC000354366396 446148481 /nfs/dbraw/zinc/14/84/81/446148481.db2.gz NWGHSEUGKJMUDP-UHFFFAOYSA-N 2 2 327.432 1.987 20 0 EDADLP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000370352732 446242947 /nfs/dbraw/zinc/24/29/47/446242947.db2.gz CZAFLDHQQCNNKG-ZWKOTPCHSA-N 2 2 343.471 1.911 20 0 EDADLP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000370352732 446242952 /nfs/dbraw/zinc/24/29/52/446242952.db2.gz CZAFLDHQQCNNKG-ZWKOTPCHSA-N 2 2 343.471 1.911 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000365440755 446207961 /nfs/dbraw/zinc/20/79/61/446207961.db2.gz VQNQWXCAMOZZIG-NJINODPHSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(C)c[nH+]1 ZINC000370305374 446224021 /nfs/dbraw/zinc/22/40/21/446224021.db2.gz JRIVQQUVSPMXJO-INIZCTEOSA-N 2 2 332.448 1.696 20 0 EDADLP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1OC ZINC000366465707 446225220 /nfs/dbraw/zinc/22/52/20/446225220.db2.gz PVYOTXKUWOQFQN-AWEZNQCLSA-N 2 2 334.420 1.503 20 0 EDADLP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](C3CC3)CCO2)cc1OC ZINC000366465707 446225222 /nfs/dbraw/zinc/22/52/22/446225222.db2.gz PVYOTXKUWOQFQN-AWEZNQCLSA-N 2 2 334.420 1.503 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc2n1C ZINC000373471165 446228647 /nfs/dbraw/zinc/22/86/47/446228647.db2.gz AOMZRJHJUKDBGV-CABCVRRESA-N 2 2 328.416 1.475 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2n1C ZINC000373471165 446228651 /nfs/dbraw/zinc/22/86/51/446228651.db2.gz AOMZRJHJUKDBGV-CABCVRRESA-N 2 2 328.416 1.475 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000365496731 446231836 /nfs/dbraw/zinc/23/18/36/446231836.db2.gz IEBXMMQOOFILRY-DLBZAZTESA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000365496731 446231837 /nfs/dbraw/zinc/23/18/37/446231837.db2.gz IEBXMMQOOFILRY-DLBZAZTESA-N 2 2 336.480 1.119 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370385811 446256614 /nfs/dbraw/zinc/25/66/14/446256614.db2.gz QJUDJKPFUWBRGO-BBRMVZONSA-N 2 2 340.431 1.549 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370385811 446256618 /nfs/dbraw/zinc/25/66/18/446256618.db2.gz QJUDJKPFUWBRGO-BBRMVZONSA-N 2 2 340.431 1.549 20 0 EDADLP CCCC(O)(CCC)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366632776 446286815 /nfs/dbraw/zinc/28/68/15/446286815.db2.gz HXJGHAPPQJMJFP-INIZCTEOSA-N 2 2 339.524 1.993 20 0 EDADLP CCCC(O)(CCC)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366632776 446286819 /nfs/dbraw/zinc/28/68/19/446286819.db2.gz HXJGHAPPQJMJFP-INIZCTEOSA-N 2 2 339.524 1.993 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000370470569 446293751 /nfs/dbraw/zinc/29/37/51/446293751.db2.gz HOFGSGGWFHTERZ-NVXWUHKLSA-N 2 2 334.508 1.146 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000370470569 446293755 /nfs/dbraw/zinc/29/37/55/446293755.db2.gz HOFGSGGWFHTERZ-NVXWUHKLSA-N 2 2 334.508 1.146 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc[nH+]1 ZINC000370501450 446308703 /nfs/dbraw/zinc/30/87/03/446308703.db2.gz WFPCJRGUMUQKGX-XHSDSOJGSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc[nH+]1 ZINC000370501450 446308707 /nfs/dbraw/zinc/30/87/07/446308707.db2.gz WFPCJRGUMUQKGX-XHSDSOJGSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]cn1 ZINC000370501450 446308710 /nfs/dbraw/zinc/30/87/10/446308710.db2.gz WFPCJRGUMUQKGX-XHSDSOJGSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]cn1 ZINC000370501450 446308712 /nfs/dbraw/zinc/30/87/12/446308712.db2.gz WFPCJRGUMUQKGX-XHSDSOJGSA-N 2 2 347.463 1.103 20 0 EDADLP c1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nc(N2CCOCC2)[nH+]1 ZINC000373820600 446335270 /nfs/dbraw/zinc/33/52/70/446335270.db2.gz XKEDOHCHVHSNHW-KRWDZBQOSA-N 2 2 345.491 2.522 20 0 EDADLP c1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)nc(N2CCOCC2)[nH+]1 ZINC000373820600 446335274 /nfs/dbraw/zinc/33/52/74/446335274.db2.gz XKEDOHCHVHSNHW-KRWDZBQOSA-N 2 2 345.491 2.522 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000366861274 446386829 /nfs/dbraw/zinc/38/68/29/446386829.db2.gz DWGMBBDRCLLEKF-RTBURBONSA-N 2 2 343.471 1.933 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000366861274 446386834 /nfs/dbraw/zinc/38/68/34/446386834.db2.gz DWGMBBDRCLLEKF-RTBURBONSA-N 2 2 343.471 1.933 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000366861274 446386839 /nfs/dbraw/zinc/38/68/39/446386839.db2.gz DWGMBBDRCLLEKF-RTBURBONSA-N 2 2 343.471 1.933 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000366861274 446386842 /nfs/dbraw/zinc/38/68/42/446386842.db2.gz DWGMBBDRCLLEKF-RTBURBONSA-N 2 2 343.471 1.933 20 0 EDADLP CCOC(C)(C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376232682 446393060 /nfs/dbraw/zinc/39/30/60/446393060.db2.gz PIDYWOYVMRFDDE-HNNXBMFYSA-N 2 2 340.512 1.611 20 0 EDADLP CCOC(C)(C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376232682 446393063 /nfs/dbraw/zinc/39/30/63/446393063.db2.gz PIDYWOYVMRFDDE-HNNXBMFYSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417960453 446400920 /nfs/dbraw/zinc/40/09/20/446400920.db2.gz XQLHFBYNSMUYMH-KMUNFCNLSA-N 2 2 326.391 1.699 20 0 EDADLP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417960453 446400922 /nfs/dbraw/zinc/40/09/22/446400922.db2.gz XQLHFBYNSMUYMH-KMUNFCNLSA-N 2 2 326.391 1.699 20 0 EDADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000366969204 446432963 /nfs/dbraw/zinc/43/29/63/446432963.db2.gz JRBBPGYIESMSGL-ROUUACIJSA-N 2 2 345.487 1.924 20 0 EDADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000366969204 446432972 /nfs/dbraw/zinc/43/29/72/446432972.db2.gz JRBBPGYIESMSGL-ROUUACIJSA-N 2 2 345.487 1.924 20 0 EDADLP Cc1oc2nc(C[NH+]3CCC(OCCC[NH3+])CC3)nc(N)c2c1C ZINC000420287635 446452520 /nfs/dbraw/zinc/45/25/20/446452520.db2.gz IGXGYVIZBFHZGL-UHFFFAOYSA-N 2 2 333.436 1.752 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc(N2CCCC2)n1 ZINC000423137349 446436299 /nfs/dbraw/zinc/43/62/99/446436299.db2.gz WEOHREZNAGRPOV-KSZLIROESA-N 2 2 345.491 1.632 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411236449 446437087 /nfs/dbraw/zinc/43/70/87/446437087.db2.gz DGGJVAPLSQQNTC-HNNXBMFYSA-N 2 2 332.448 1.936 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411236449 446437090 /nfs/dbraw/zinc/43/70/90/446437090.db2.gz DGGJVAPLSQQNTC-HNNXBMFYSA-N 2 2 332.448 1.936 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C(=O)OC(C)C)C(C)C)CC[NH2+]CC1 ZINC000423146329 446440375 /nfs/dbraw/zinc/44/03/75/446440375.db2.gz AEKCQAPZCQDMJL-CABCVRRESA-N 2 2 342.480 1.874 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000423159480 446441321 /nfs/dbraw/zinc/44/13/21/446441321.db2.gz YBXURIARTLISIW-BBRMVZONSA-N 2 2 325.478 1.557 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@@H]1C[NH2+]CCCO1 ZINC000420269991 446441896 /nfs/dbraw/zinc/44/18/96/446441896.db2.gz JEPMOKNDBOFGKS-AWEZNQCLSA-N 2 2 343.427 1.932 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@@H]3CC[NH2+]CC3(F)F)[nH+]cn2)C1 ZINC000420287311 446453364 /nfs/dbraw/zinc/45/33/64/446453364.db2.gz RCSZVQYMXKPKPA-AVGNSLFASA-N 2 2 341.406 1.340 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@@H]3CC[NH2+]CC3(F)F)nc[nH+]2)C1 ZINC000420287311 446453369 /nfs/dbraw/zinc/45/33/69/446453369.db2.gz RCSZVQYMXKPKPA-AVGNSLFASA-N 2 2 341.406 1.340 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NC[C@H]2C[NH2+]CCO2)[nH+]cn1 ZINC000420277913 446446969 /nfs/dbraw/zinc/44/69/69/446446969.db2.gz IKQQQLJSWUZRDP-KEYYUXOJSA-N 2 2 335.452 1.492 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420277450 446447094 /nfs/dbraw/zinc/44/70/94/446447094.db2.gz UAUNOFMYIRXOLQ-HOCLYGCPSA-N 2 2 347.459 1.409 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)C1 ZINC000420277450 446447100 /nfs/dbraw/zinc/44/71/00/446447100.db2.gz UAUNOFMYIRXOLQ-HOCLYGCPSA-N 2 2 347.459 1.409 20 0 EDADLP [NH3+][C@H](CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000418051515 446425037 /nfs/dbraw/zinc/42/50/37/446425037.db2.gz RWQHHNGPOYHFOB-MRXNPFEDSA-N 2 2 336.867 1.735 20 0 EDADLP [NH3+][C@H](CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000418051515 446425040 /nfs/dbraw/zinc/42/50/40/446425040.db2.gz RWQHHNGPOYHFOB-MRXNPFEDSA-N 2 2 336.867 1.735 20 0 EDADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C[C@@H]1[NH3+] ZINC000418051931 446425729 /nfs/dbraw/zinc/42/57/29/446425729.db2.gz SYBDVPHSESDSKA-LRDDRELGSA-N 2 2 336.867 1.687 20 0 EDADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C[C@@H]1[NH3+] ZINC000418051931 446425733 /nfs/dbraw/zinc/42/57/33/446425733.db2.gz SYBDVPHSESDSKA-LRDDRELGSA-N 2 2 336.867 1.687 20 0 EDADLP C[N@@H+](CC(=O)NCc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420296084 446459009 /nfs/dbraw/zinc/45/90/09/446459009.db2.gz DAGSPUIIRIRDCC-IRXDYDNUSA-N 2 2 347.484 1.227 20 0 EDADLP C[N@H+](CC(=O)NCc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420296084 446459019 /nfs/dbraw/zinc/45/90/19/446459019.db2.gz DAGSPUIIRIRDCC-IRXDYDNUSA-N 2 2 347.484 1.227 20 0 EDADLP CN(C(=O)c1cc(C2CC2)on1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829136 446464712 /nfs/dbraw/zinc/46/47/12/446464712.db2.gz DTDOKYFRBRJAQR-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP CN(C(=O)c1cc(C2CC2)on1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829136 446464719 /nfs/dbraw/zinc/46/47/19/446464719.db2.gz DTDOKYFRBRJAQR-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000370847096 446478599 /nfs/dbraw/zinc/47/85/99/446478599.db2.gz YRJCKWQCZATAHC-HNNXBMFYSA-N 2 2 348.447 1.145 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000370847096 446478605 /nfs/dbraw/zinc/47/86/05/446478605.db2.gz YRJCKWQCZATAHC-HNNXBMFYSA-N 2 2 348.447 1.145 20 0 EDADLP COCCCn1nccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000375001792 446505306 /nfs/dbraw/zinc/50/53/06/446505306.db2.gz QBXRXRVXACUIRG-KBAYOESNSA-N 2 2 336.480 1.603 20 0 EDADLP COCCCn1nccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000375001792 446505311 /nfs/dbraw/zinc/50/53/11/446505311.db2.gz QBXRXRVXACUIRG-KBAYOESNSA-N 2 2 336.480 1.603 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+](C)CCC[NH2+]C ZINC000420386309 446560797 /nfs/dbraw/zinc/56/07/97/446560797.db2.gz IBJLEUBYWWMNNI-OAHLLOKOSA-N 2 2 335.448 1.216 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)CCC[NH2+]C ZINC000420386309 446560805 /nfs/dbraw/zinc/56/08/05/446560805.db2.gz IBJLEUBYWWMNNI-OAHLLOKOSA-N 2 2 335.448 1.216 20 0 EDADLP C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000420347322 446521054 /nfs/dbraw/zinc/52/10/54/446521054.db2.gz YBFJXNOXQOEPOG-GDBMZVCRSA-N 2 2 332.448 1.462 20 0 EDADLP C[C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000420347322 446521059 /nfs/dbraw/zinc/52/10/59/446521059.db2.gz YBFJXNOXQOEPOG-GDBMZVCRSA-N 2 2 332.448 1.462 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1C[NH+](C)C ZINC000411407455 446524687 /nfs/dbraw/zinc/52/46/87/446524687.db2.gz LTZBGFUTEJDLGU-AWEZNQCLSA-N 2 2 332.448 1.158 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1C[NH+](C)C ZINC000411407455 446524697 /nfs/dbraw/zinc/52/46/97/446524697.db2.gz LTZBGFUTEJDLGU-AWEZNQCLSA-N 2 2 332.448 1.158 20 0 EDADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000423416210 446525242 /nfs/dbraw/zinc/52/52/42/446525242.db2.gz FOOFYSKGKVTASZ-XJKSGUPXSA-N 2 2 341.477 1.477 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H]1C ZINC000411410946 446526980 /nfs/dbraw/zinc/52/69/80/446526980.db2.gz UGZLZSQUQISZEZ-CHWSQXEVSA-N 2 2 329.404 1.214 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H]1C ZINC000411410946 446526987 /nfs/dbraw/zinc/52/69/87/446526987.db2.gz UGZLZSQUQISZEZ-CHWSQXEVSA-N 2 2 329.404 1.214 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000418400267 446528925 /nfs/dbraw/zinc/52/89/25/446528925.db2.gz LZVLJQUVGXJMOJ-MRXNPFEDSA-N 2 2 336.867 1.905 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1C ZINC000420352440 446531432 /nfs/dbraw/zinc/53/14/32/446531432.db2.gz AGDMCRLAGZNAFV-AWEZNQCLSA-N 2 2 335.448 1.969 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420354248 446534210 /nfs/dbraw/zinc/53/42/10/446534210.db2.gz AZMJGYQDTVEXFG-PBFPGSCMSA-N 2 2 333.432 1.412 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)cs1 ZINC000418415464 446535511 /nfs/dbraw/zinc/53/55/11/446535511.db2.gz UNDLVFXFOSXZCU-HNNXBMFYSA-N 2 2 339.509 1.652 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)cs1 ZINC000418415464 446535517 /nfs/dbraw/zinc/53/55/17/446535517.db2.gz UNDLVFXFOSXZCU-HNNXBMFYSA-N 2 2 339.509 1.652 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)C(=O)OC ZINC000420358125 446537709 /nfs/dbraw/zinc/53/77/09/446537709.db2.gz DZQNDLZJFPHQDF-NOLJZWGESA-N 2 2 327.469 1.188 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418439152 446544366 /nfs/dbraw/zinc/54/43/66/446544366.db2.gz YBKVQOFTOBADIY-DOTOQJQBSA-N 2 2 331.464 1.426 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1OC ZINC000420364193 446544725 /nfs/dbraw/zinc/54/47/25/446544725.db2.gz JZHWWOJZDMYFER-SUNYJGFJSA-N 2 2 349.475 1.638 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c(OC)cc1Cl ZINC000420364257 446544969 /nfs/dbraw/zinc/54/49/69/446544969.db2.gz IMGSMVLXLIWUIZ-CMPLNLGQSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c(OC)cc1Cl ZINC000420364257 446544970 /nfs/dbraw/zinc/54/49/70/446544970.db2.gz IMGSMVLXLIWUIZ-CMPLNLGQSA-N 2 2 341.839 1.965 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@H]1C[NH3+] ZINC000420375228 446552743 /nfs/dbraw/zinc/55/27/43/446552743.db2.gz IPBJEIQEASONJG-GHMZBOCLSA-N 2 2 341.358 1.863 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C[C@H]1C[NH3+] ZINC000420375228 446552745 /nfs/dbraw/zinc/55/27/45/446552745.db2.gz IPBJEIQEASONJG-GHMZBOCLSA-N 2 2 341.358 1.863 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420375378 446552926 /nfs/dbraw/zinc/55/29/26/446552926.db2.gz OFSZCCZJEXUPEM-UYAOXDASSA-N 3 2 344.503 1.481 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420375378 446552930 /nfs/dbraw/zinc/55/29/30/446552930.db2.gz OFSZCCZJEXUPEM-UYAOXDASSA-N 3 2 344.503 1.481 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000420374077 446553097 /nfs/dbraw/zinc/55/30/97/446553097.db2.gz NBXXTQWPTNVWPR-PKOBYXMFSA-N 2 2 334.460 1.865 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000420374077 446553101 /nfs/dbraw/zinc/55/31/01/446553101.db2.gz NBXXTQWPTNVWPR-PKOBYXMFSA-N 2 2 334.460 1.865 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420377026 446554699 /nfs/dbraw/zinc/55/46/99/446554699.db2.gz VYCKRUNFNLXERS-ZRGWGRIASA-N 2 2 348.466 1.450 20 0 EDADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420378360 446555627 /nfs/dbraw/zinc/55/56/27/446555627.db2.gz MBSCFJAMOJNLRH-BNOWGMLFSA-N 2 2 338.477 1.688 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418611415 446614598 /nfs/dbraw/zinc/61/45/98/446614598.db2.gz AXQFOJYLFFIPKX-RDBSUJKOSA-N 2 2 342.484 1.910 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418611415 446614602 /nfs/dbraw/zinc/61/46/02/446614602.db2.gz AXQFOJYLFFIPKX-RDBSUJKOSA-N 2 2 342.484 1.910 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000420393275 446568902 /nfs/dbraw/zinc/56/89/02/446568902.db2.gz XICFJNIVSFECBW-GJZGRUSLSA-N 2 2 335.448 1.215 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000420393275 446568909 /nfs/dbraw/zinc/56/89/09/446568909.db2.gz XICFJNIVSFECBW-GJZGRUSLSA-N 2 2 335.448 1.215 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420399852 446572716 /nfs/dbraw/zinc/57/27/16/446572716.db2.gz IIBRDHQTFGLHCA-HZSPNIEDSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000420399852 446572722 /nfs/dbraw/zinc/57/27/22/446572722.db2.gz IIBRDHQTFGLHCA-HZSPNIEDSA-N 2 2 335.448 1.948 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000420407312 446580206 /nfs/dbraw/zinc/58/02/06/446580206.db2.gz OKDIHHYKQKEJHV-WBVHZDCISA-N 2 2 341.459 1.405 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000420407312 446580211 /nfs/dbraw/zinc/58/02/11/446580211.db2.gz OKDIHHYKQKEJHV-WBVHZDCISA-N 2 2 341.459 1.405 20 0 EDADLP C[C@@]1(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)CCC[NH2+]C1 ZINC000418538166 446584626 /nfs/dbraw/zinc/58/46/26/446584626.db2.gz KZFTWIOKUPUSRU-QGZVFWFLSA-N 2 2 336.505 1.965 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H](C)CC[NH3+] ZINC000418537092 446584718 /nfs/dbraw/zinc/58/47/18/446584718.db2.gz CKTFTHHPILUKBD-SWHYSGLUSA-N 2 2 341.431 1.240 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)N[C@H](C)CC[NH3+] ZINC000418537092 446584727 /nfs/dbraw/zinc/58/47/27/446584727.db2.gz CKTFTHHPILUKBD-SWHYSGLUSA-N 2 2 341.431 1.240 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433577001 446588014 /nfs/dbraw/zinc/58/80/14/446588014.db2.gz XGOZKKUAVGUOLD-LNCBFAARSA-N 2 2 347.463 1.422 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433577001 446588019 /nfs/dbraw/zinc/58/80/19/446588019.db2.gz XGOZKKUAVGUOLD-LNCBFAARSA-N 2 2 347.463 1.422 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418588881 446604840 /nfs/dbraw/zinc/60/48/40/446604840.db2.gz HHLCLJZKLFDYPG-CYBMUJFWSA-N 2 2 325.482 1.358 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418588881 446604842 /nfs/dbraw/zinc/60/48/42/446604842.db2.gz HHLCLJZKLFDYPG-CYBMUJFWSA-N 2 2 325.482 1.358 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cc(C)n[nH]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000376683715 446649215 /nfs/dbraw/zinc/64/92/15/446649215.db2.gz ZFOJNSWLYXWGKB-OAHLLOKOSA-N 2 2 342.447 1.719 20 0 EDADLP CC(C)(C)CC[NH+]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418735986 446660274 /nfs/dbraw/zinc/66/02/74/446660274.db2.gz UGEIPNCIXFMCIO-CQSZACIVSA-N 2 2 346.466 1.995 20 0 EDADLP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371093024 446625197 /nfs/dbraw/zinc/62/51/97/446625197.db2.gz IERUUDRFHJVLJQ-UHFFFAOYSA-N 3 2 338.540 1.639 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371093024 446625201 /nfs/dbraw/zinc/62/52/01/446625201.db2.gz IERUUDRFHJVLJQ-UHFFFAOYSA-N 3 2 338.540 1.639 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418771216 446690066 /nfs/dbraw/zinc/69/00/66/446690066.db2.gz TXCRFDPIMNAHED-ZDUSSCGKSA-N 2 2 343.422 1.864 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@]3(CC)CCC[NH2+]3)CC2)cn1 ZINC000423762655 446690859 /nfs/dbraw/zinc/69/08/59/446690859.db2.gz SWSOWFNUMYUKTF-LJQANCHMSA-N 2 2 347.507 1.860 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@]3(CC)CCC[NH2+]3)CC2)cn1 ZINC000423762655 446690867 /nfs/dbraw/zinc/69/08/67/446690867.db2.gz SWSOWFNUMYUKTF-LJQANCHMSA-N 2 2 347.507 1.860 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423822507 446712012 /nfs/dbraw/zinc/71/20/12/446712012.db2.gz ITSXQVDKNCCUNA-TZMCWYRMSA-N 2 2 327.350 1.847 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423822507 446712017 /nfs/dbraw/zinc/71/20/17/446712017.db2.gz ITSXQVDKNCCUNA-TZMCWYRMSA-N 2 2 327.350 1.847 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423822898 446712670 /nfs/dbraw/zinc/71/26/70/446712670.db2.gz JEXYEHBAFFILLM-KKUMJFAQSA-N 2 2 343.830 1.704 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423822898 446712673 /nfs/dbraw/zinc/71/26/73/446712673.db2.gz JEXYEHBAFFILLM-KKUMJFAQSA-N 2 2 343.830 1.704 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000418759276 446678416 /nfs/dbraw/zinc/67/84/16/446678416.db2.gz DKQFUAFMSKRDDJ-CVEARBPZSA-N 2 2 333.480 1.916 20 0 EDADLP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418759227 446678823 /nfs/dbraw/zinc/67/88/23/446678823.db2.gz DFDZJEYQNCZFOY-KRWDZBQOSA-N 2 2 331.464 1.441 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000423753651 446683848 /nfs/dbraw/zinc/68/38/48/446683848.db2.gz XKAPCABQLYWHIB-INIZCTEOSA-N 2 2 330.432 1.051 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000423753651 446683860 /nfs/dbraw/zinc/68/38/60/446683860.db2.gz XKAPCABQLYWHIB-INIZCTEOSA-N 2 2 330.432 1.051 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N1CCc2ccccc21 ZINC000371299449 446755623 /nfs/dbraw/zinc/75/56/23/446755623.db2.gz HBMYZMGXLLZWBD-NZSAHSFTSA-N 2 2 343.471 1.759 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N1CCc2ccccc21 ZINC000371299449 446755629 /nfs/dbraw/zinc/75/56/29/446755629.db2.gz HBMYZMGXLLZWBD-NZSAHSFTSA-N 2 2 343.471 1.759 20 0 EDADLP COCC[NH2+]CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000423908200 446757356 /nfs/dbraw/zinc/75/73/56/446757356.db2.gz BWMFDIUGHKDWFH-UHFFFAOYSA-N 2 2 325.840 1.050 20 0 EDADLP COCC[NH2+]CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000423908200 446757362 /nfs/dbraw/zinc/75/73/62/446757362.db2.gz BWMFDIUGHKDWFH-UHFFFAOYSA-N 2 2 325.840 1.050 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000368298100 446767688 /nfs/dbraw/zinc/76/76/88/446767688.db2.gz CDNUUAUWHBVDTP-GOSISDBHSA-N 2 2 346.475 1.411 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000368298100 446767692 /nfs/dbraw/zinc/76/76/92/446767692.db2.gz CDNUUAUWHBVDTP-GOSISDBHSA-N 2 2 346.475 1.411 20 0 EDADLP C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368305337 446772868 /nfs/dbraw/zinc/77/28/68/446772868.db2.gz URSYAJAJJYDKCW-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368305337 446772870 /nfs/dbraw/zinc/77/28/70/446772870.db2.gz URSYAJAJJYDKCW-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP O=C(C[NH2+]CC1CC1)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423929270 446780814 /nfs/dbraw/zinc/78/08/14/446780814.db2.gz MCSXUIBEIRNQJX-INIZCTEOSA-N 2 2 344.459 1.661 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423934959 446786936 /nfs/dbraw/zinc/78/69/36/446786936.db2.gz XNLRFXXKTAGIBH-OWLYRPNTSA-N 2 2 333.476 1.890 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423934959 446786945 /nfs/dbraw/zinc/78/69/45/446786945.db2.gz XNLRFXXKTAGIBH-OWLYRPNTSA-N 2 2 333.476 1.890 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000423966710 446801221 /nfs/dbraw/zinc/80/12/21/446801221.db2.gz ZDCWVZAEOHRMEA-KBXCAEBGSA-N 2 2 348.466 1.532 20 0 EDADLP CCOC(=O)CCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371342051 446790645 /nfs/dbraw/zinc/79/06/45/446790645.db2.gz UKRUMWGAMVPTAD-DLBZAZTESA-N 2 2 325.497 1.678 20 0 EDADLP CCOC(=O)CCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371342051 446790653 /nfs/dbraw/zinc/79/06/53/446790653.db2.gz UKRUMWGAMVPTAD-DLBZAZTESA-N 2 2 325.497 1.678 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000423884821 446740982 /nfs/dbraw/zinc/74/09/82/446740982.db2.gz YSRDHLBRSHLIIN-ROUUACIJSA-N 2 2 331.460 1.646 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000423884821 446740989 /nfs/dbraw/zinc/74/09/89/446740989.db2.gz YSRDHLBRSHLIIN-ROUUACIJSA-N 2 2 331.460 1.646 20 0 EDADLP Cc1c[nH+]ccc1N1CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000418935526 446810432 /nfs/dbraw/zinc/81/04/32/446810432.db2.gz LCCPPJSBUQYRAI-OAHLLOKOSA-N 2 2 335.448 1.869 20 0 EDADLP Cc1c[nH+]ccc1N1CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C1 ZINC000418935526 446810435 /nfs/dbraw/zinc/81/04/35/446810435.db2.gz LCCPPJSBUQYRAI-OAHLLOKOSA-N 2 2 335.448 1.869 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000424002291 446817790 /nfs/dbraw/zinc/81/77/90/446817790.db2.gz SKUASXAXOGKFHH-BZUAXINKSA-N 2 2 331.464 1.417 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000424002291 446817797 /nfs/dbraw/zinc/81/77/97/446817797.db2.gz SKUASXAXOGKFHH-BZUAXINKSA-N 2 2 331.464 1.417 20 0 EDADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000376967964 446828848 /nfs/dbraw/zinc/82/88/48/446828848.db2.gz OASQAVDYCOHMQT-KBXCAEBGSA-N 2 2 326.400 1.900 20 0 EDADLP C[C@H]1CC2(CN1C(=O)C1CC[NH+](CC(F)F)CC1)CC[NH2+]CC2 ZINC000424239895 446865059 /nfs/dbraw/zinc/86/50/59/446865059.db2.gz OOSZGRQTUXWALZ-ZDUSSCGKSA-N 2 2 329.435 1.954 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccnc(C)n3)CC2)CC1 ZINC000368447519 446868622 /nfs/dbraw/zinc/86/86/22/446868622.db2.gz SGNATXMHLYNLJS-UHFFFAOYSA-N 2 2 345.491 1.551 20 0 EDADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000375530160 446876609 /nfs/dbraw/zinc/87/66/09/446876609.db2.gz RGSSNRLZTMZXKQ-CVEARBPZSA-N 2 2 337.489 1.996 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@H]3F)CC2)CC1 ZINC000454446247 446876667 /nfs/dbraw/zinc/87/66/67/446876667.db2.gz DLGFJVOIAXQIHA-CVEARBPZSA-N 2 2 326.460 1.735 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902875 446878526 /nfs/dbraw/zinc/87/85/26/446878526.db2.gz NLMUYNIRXDZHGO-SFHVURJKSA-N 2 2 331.460 1.571 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420902875 446878530 /nfs/dbraw/zinc/87/85/30/446878530.db2.gz NLMUYNIRXDZHGO-SFHVURJKSA-N 2 2 331.460 1.571 20 0 EDADLP C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412147004 446879196 /nfs/dbraw/zinc/87/91/96/446879196.db2.gz GEDLUTFCIRONPK-XDNAFOTISA-N 2 2 337.508 1.961 20 0 EDADLP C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412147004 446879202 /nfs/dbraw/zinc/87/92/02/446879202.db2.gz GEDLUTFCIRONPK-XDNAFOTISA-N 2 2 337.508 1.961 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000368466395 446881311 /nfs/dbraw/zinc/88/13/11/446881311.db2.gz QBWIZVPOMOSBQW-UAGQMJEPSA-N 2 2 346.475 1.330 20 0 EDADLP COc1ncc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C)n1 ZINC000375618992 446928616 /nfs/dbraw/zinc/92/86/16/446928616.db2.gz BVZXMGGTSAPKAW-CQSZACIVSA-N 2 2 333.480 1.394 20 0 EDADLP COc1ncc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C)n1 ZINC000375618992 446928626 /nfs/dbraw/zinc/92/86/26/446928626.db2.gz BVZXMGGTSAPKAW-CQSZACIVSA-N 2 2 333.480 1.394 20 0 EDADLP COc1ncc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C)n1 ZINC000375618992 446928631 /nfs/dbraw/zinc/92/86/31/446928631.db2.gz BVZXMGGTSAPKAW-CQSZACIVSA-N 2 2 333.480 1.394 20 0 EDADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCOC1 ZINC000420962740 446933523 /nfs/dbraw/zinc/93/35/23/446933523.db2.gz KYRQSTUFLDNETD-LJQANCHMSA-N 2 2 334.460 1.756 20 0 EDADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCOC1 ZINC000420962740 446933530 /nfs/dbraw/zinc/93/35/30/446933530.db2.gz KYRQSTUFLDNETD-LJQANCHMSA-N 2 2 334.460 1.756 20 0 EDADLP COc1ccc(OCC[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371556993 446930456 /nfs/dbraw/zinc/93/04/56/446930456.db2.gz LFINMMYKBRTUAB-LJQANCHMSA-N 2 2 349.475 1.022 20 0 EDADLP CN1CCO[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000420968114 446938892 /nfs/dbraw/zinc/93/88/92/446938892.db2.gz VKOYVYYQZJGSMK-VQTJNVASSA-N 2 2 345.487 1.424 20 0 EDADLP CN1CCO[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000420968114 446938897 /nfs/dbraw/zinc/93/88/97/446938897.db2.gz VKOYVYYQZJGSMK-VQTJNVASSA-N 2 2 345.487 1.424 20 0 EDADLP O[C@@]1(C(F)F)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420974036 446945827 /nfs/dbraw/zinc/94/58/27/446945827.db2.gz NZUYMVKQABLWBG-KRWDZBQOSA-N 2 2 326.387 1.721 20 0 EDADLP O[C@@]1(C(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420974036 446945832 /nfs/dbraw/zinc/94/58/32/446945832.db2.gz NZUYMVKQABLWBG-KRWDZBQOSA-N 2 2 326.387 1.721 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000442795012 446971625 /nfs/dbraw/zinc/97/16/25/446971625.db2.gz UGIJQGPHWCJMBM-CHWSQXEVSA-N 2 2 330.432 1.186 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000442795012 446971632 /nfs/dbraw/zinc/97/16/32/446971632.db2.gz UGIJQGPHWCJMBM-CHWSQXEVSA-N 2 2 330.432 1.186 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761491 446955944 /nfs/dbraw/zinc/95/59/44/446955944.db2.gz XNAINUOZXFNAMI-SJPCQFCGSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442761491 446955948 /nfs/dbraw/zinc/95/59/48/446955948.db2.gz XNAINUOZXFNAMI-SJPCQFCGSA-N 2 2 331.460 1.868 20 0 EDADLP CCOC(=O)[C@@H](CC)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420987037 446964260 /nfs/dbraw/zinc/96/42/60/446964260.db2.gz ZNGGGGRJURLXTK-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CCOC(=O)[C@@H](CC)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420987037 446964265 /nfs/dbraw/zinc/96/42/65/446964265.db2.gz ZNGGGGRJURLXTK-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CCOC(=O)[C@@H](CC)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420987037 446964272 /nfs/dbraw/zinc/96/42/72/446964272.db2.gz ZNGGGGRJURLXTK-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CCOC(=O)[C@@H](CC)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420987037 446964279 /nfs/dbraw/zinc/96/42/79/446964279.db2.gz ZNGGGGRJURLXTK-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000425057636 447006588 /nfs/dbraw/zinc/00/65/88/447006588.db2.gz MSOLZGYQHTULJD-RBUKOAKNSA-N 2 2 343.471 1.685 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)[C@@H]2C1 ZINC000425057636 447006594 /nfs/dbraw/zinc/00/65/94/447006594.db2.gz MSOLZGYQHTULJD-RBUKOAKNSA-N 2 2 343.471 1.685 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000413119059 447013813 /nfs/dbraw/zinc/01/38/13/447013813.db2.gz MQIASCSNSJRTDE-KRWDZBQOSA-N 2 2 327.432 1.825 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000413119059 447013816 /nfs/dbraw/zinc/01/38/16/447013816.db2.gz MQIASCSNSJRTDE-KRWDZBQOSA-N 2 2 327.432 1.825 20 0 EDADLP FC(F)(F)c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[nH]n1 ZINC000442820836 446978998 /nfs/dbraw/zinc/97/89/98/446978998.db2.gz LIIOENLVBAHQBZ-UHFFFAOYSA-N 2 2 332.370 1.973 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2c[nH+]ccc2OC)C[C@H]1C ZINC000443377222 447045215 /nfs/dbraw/zinc/04/52/15/447045215.db2.gz ZYDIYUZOPNMENT-OLZOCXBDSA-N 2 2 334.420 1.360 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2c[nH+]ccc2OC)C[C@H]1C ZINC000443377222 447045219 /nfs/dbraw/zinc/04/52/19/447045219.db2.gz ZYDIYUZOPNMENT-OLZOCXBDSA-N 2 2 334.420 1.360 20 0 EDADLP c1ccc(-n2nnnc2N2CC[NH+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000368695914 447046534 /nfs/dbraw/zinc/04/65/34/447046534.db2.gz GSDDXAHJVPUYDY-UHFFFAOYSA-N 2 2 341.463 1.270 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000368704437 447053601 /nfs/dbraw/zinc/05/36/01/447053601.db2.gz QKHHHPNTAMRKIH-RDJZCZTQSA-N 2 2 348.466 1.595 20 0 EDADLP COCC1=CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000368792654 447109445 /nfs/dbraw/zinc/10/94/45/447109445.db2.gz WXACAHVVEARYKN-MRXNPFEDSA-N 2 2 336.480 1.143 20 0 EDADLP COCC1=CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000368792654 447109450 /nfs/dbraw/zinc/10/94/50/447109450.db2.gz WXACAHVVEARYKN-MRXNPFEDSA-N 2 2 336.480 1.143 20 0 EDADLP CCCn1[nH]cc/c1=N\C(=O)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372532564 447115457 /nfs/dbraw/zinc/11/54/57/447115457.db2.gz IVQXLTWFKXJBJJ-HUSAPJIJSA-N 2 2 330.436 1.044 20 0 EDADLP CCCn1[nH]cc/c1=N\C(=O)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372532564 447115467 /nfs/dbraw/zinc/11/54/67/447115467.db2.gz IVQXLTWFKXJBJJ-HUSAPJIJSA-N 2 2 330.436 1.044 20 0 EDADLP C[NH2+][C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1)c1cnn(C)c1 ZINC000375911894 447143557 /nfs/dbraw/zinc/14/35/57/447143557.db2.gz KNVISQQMJRLIQY-HZPDHXFCSA-N 2 2 344.463 1.864 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(C(=O)OC)[nH]3)CC2)CC1 ZINC000421380405 447145479 /nfs/dbraw/zinc/14/54/79/447145479.db2.gz VPOYURNMHDWICC-UHFFFAOYSA-N 2 2 348.491 1.793 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(C(=O)OC)[nH]3)CC2)CC1 ZINC000421380405 447145482 /nfs/dbraw/zinc/14/54/82/447145482.db2.gz VPOYURNMHDWICC-UHFFFAOYSA-N 2 2 348.491 1.793 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C(=O)OC)[nH]3)CC2)CC1 ZINC000421380405 447145484 /nfs/dbraw/zinc/14/54/84/447145484.db2.gz VPOYURNMHDWICC-UHFFFAOYSA-N 2 2 348.491 1.793 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C(=O)OC)[nH]3)CC2)CC1 ZINC000421380405 447145488 /nfs/dbraw/zinc/14/54/88/447145488.db2.gz VPOYURNMHDWICC-UHFFFAOYSA-N 2 2 348.491 1.793 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNc2ncnc3c2C[NH+](C)CC3)C[C@H](C)O1 ZINC000368838707 447149767 /nfs/dbraw/zinc/14/97/67/447149767.db2.gz NGKQPPFNCVYCFB-OKILXGFUSA-N 2 2 333.480 1.764 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNc2ncnc3c2C[NH+](C)CC3)C[C@H](C)O1 ZINC000368838707 447149768 /nfs/dbraw/zinc/14/97/68/447149768.db2.gz NGKQPPFNCVYCFB-OKILXGFUSA-N 2 2 333.480 1.764 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNc2ncnc3c2C[N@H+](C)CC3)C[C@H](C)O1 ZINC000368838707 447149769 /nfs/dbraw/zinc/14/97/69/447149769.db2.gz NGKQPPFNCVYCFB-OKILXGFUSA-N 2 2 333.480 1.764 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNc2ncnc3c2C[N@@H+](C)CC3)C[C@H](C)O1 ZINC000368838707 447149771 /nfs/dbraw/zinc/14/97/71/447149771.db2.gz NGKQPPFNCVYCFB-OKILXGFUSA-N 2 2 333.480 1.764 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377481505 447153762 /nfs/dbraw/zinc/15/37/62/447153762.db2.gz LOMVQLRUIHUBQB-HUUCEWRRSA-N 2 2 328.416 1.324 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377481505 447153771 /nfs/dbraw/zinc/15/37/71/447153771.db2.gz LOMVQLRUIHUBQB-HUUCEWRRSA-N 2 2 328.416 1.324 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(NCCc2cn(C)c[nH+]2)n1 ZINC000413385967 447167583 /nfs/dbraw/zinc/16/75/83/447167583.db2.gz TXYASBCIYYSSAD-NVXWUHKLSA-N 2 2 344.463 1.324 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375932141 447159234 /nfs/dbraw/zinc/15/92/34/447159234.db2.gz MOUJHXGPANGLOA-KGLIPLIRSA-N 2 2 339.436 1.804 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375932141 447159239 /nfs/dbraw/zinc/15/92/39/447159239.db2.gz MOUJHXGPANGLOA-KGLIPLIRSA-N 2 2 339.436 1.804 20 0 EDADLP COc1cc(NC(=O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc(OC)c1 ZINC000425360592 447127580 /nfs/dbraw/zinc/12/75/80/447127580.db2.gz XTHMXRAEZSYOBJ-UHFFFAOYSA-N 2 2 347.419 1.232 20 0 EDADLP COCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375984742 447193315 /nfs/dbraw/zinc/19/33/15/447193315.db2.gz CRQZHIUNKXEQHG-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP COCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375984742 447193319 /nfs/dbraw/zinc/19/33/19/447193319.db2.gz CRQZHIUNKXEQHG-MRXNPFEDSA-N 2 2 326.485 1.223 20 0 EDADLP Cn1c2ccccc2[nH+]c1NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413474743 447195120 /nfs/dbraw/zinc/19/51/20/447195120.db2.gz CCZVKBXTWGXHAJ-UHFFFAOYSA-N 2 2 343.475 1.782 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425584020 447238379 /nfs/dbraw/zinc/23/83/79/447238379.db2.gz IOWUBKSQDYXSNL-CQSZACIVSA-N 2 2 337.468 1.716 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC000376064693 447245524 /nfs/dbraw/zinc/24/55/24/447245524.db2.gz DOEXGLYDNSJMCH-AYHJJNSGSA-N 3 2 336.524 1.532 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000376064693 447245532 /nfs/dbraw/zinc/24/55/32/447245532.db2.gz DOEXGLYDNSJMCH-AYHJJNSGSA-N 3 2 336.524 1.532 20 0 EDADLP Cc1noc(C)c1CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377679340 447289456 /nfs/dbraw/zinc/28/94/56/447289456.db2.gz OBNFCLZIGUYWMQ-HNNXBMFYSA-N 2 2 349.479 1.302 20 0 EDADLP Cc1noc(C)c1CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377679340 447289467 /nfs/dbraw/zinc/28/94/67/447289467.db2.gz OBNFCLZIGUYWMQ-HNNXBMFYSA-N 2 2 349.479 1.302 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414309498 447290993 /nfs/dbraw/zinc/29/09/93/447290993.db2.gz RVTZHQOIBWUKMA-MJGOQNOKSA-N 3 2 331.504 1.943 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414309498 447290997 /nfs/dbraw/zinc/29/09/97/447290997.db2.gz RVTZHQOIBWUKMA-MJGOQNOKSA-N 3 2 331.504 1.943 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000369028812 447275120 /nfs/dbraw/zinc/27/51/20/447275120.db2.gz SWSMETYYQHCEPU-KRWDZBQOSA-N 2 2 343.431 1.061 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000369028812 447275127 /nfs/dbraw/zinc/27/51/27/447275127.db2.gz SWSMETYYQHCEPU-KRWDZBQOSA-N 2 2 343.431 1.061 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCn3cc(C)cn3)CC2)CC1 ZINC000422002687 447303510 /nfs/dbraw/zinc/30/35/10/447303510.db2.gz BCUZGTNDISLSER-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCn3cc(C)cn3)CC2)CC1 ZINC000422002687 447303514 /nfs/dbraw/zinc/30/35/14/447303514.db2.gz BCUZGTNDISLSER-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419853237 447452267 /nfs/dbraw/zinc/45/22/67/447452267.db2.gz DTLKWVFQGMUULW-LSDHHAIUSA-N 2 2 347.463 1.072 20 0 EDADLP C[C@@H](C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000450340662 447460403 /nfs/dbraw/zinc/46/04/03/447460403.db2.gz GXLOLCMWMPGKDB-ZNMIVQPWSA-N 2 2 332.510 1.241 20 0 EDADLP C[C@@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)S(C)(=O)=O ZINC000450340662 447460409 /nfs/dbraw/zinc/46/04/09/447460409.db2.gz GXLOLCMWMPGKDB-ZNMIVQPWSA-N 2 2 332.510 1.241 20 0 EDADLP C[C@@H](CNc1nc(N(C)C)c2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000450351189 447464796 /nfs/dbraw/zinc/46/47/96/447464796.db2.gz ZCHXWSTYSDXTJW-AWEZNQCLSA-N 2 2 329.448 2.076 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389863648 447486791 /nfs/dbraw/zinc/48/67/91/447486791.db2.gz JJJRLTSKWZXANJ-BPQIPLTHSA-N 2 2 334.460 1.801 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389863648 447486799 /nfs/dbraw/zinc/48/67/99/447486799.db2.gz JJJRLTSKWZXANJ-BPQIPLTHSA-N 2 2 334.460 1.801 20 0 EDADLP C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C[NH+]1CCOCC1 ZINC000495348990 447491389 /nfs/dbraw/zinc/49/13/89/447491389.db2.gz WDSUJEYTLWLNNK-CQSZACIVSA-N 2 2 329.485 1.848 20 0 EDADLP [NH3+][C@@H](CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC1 ZINC000415544018 447507863 /nfs/dbraw/zinc/50/78/63/447507863.db2.gz ZBCXZXUFAYWMMM-INIZCTEOSA-N 2 2 340.383 1.666 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CCO)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000457099393 447514872 /nfs/dbraw/zinc/51/48/72/447514872.db2.gz NCEMOEBSAWKSDM-FUHWJXTLSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CCO)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000457099393 447514878 /nfs/dbraw/zinc/51/48/78/447514878.db2.gz NCEMOEBSAWKSDM-FUHWJXTLSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000457099393 447514883 /nfs/dbraw/zinc/51/48/83/447514883.db2.gz NCEMOEBSAWKSDM-FUHWJXTLSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000457099393 447514888 /nfs/dbraw/zinc/51/48/88/447514888.db2.gz NCEMOEBSAWKSDM-FUHWJXTLSA-N 2 2 333.476 1.422 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457109585 447519025 /nfs/dbraw/zinc/51/90/25/447519025.db2.gz YHWLHQQVMNMELV-CQSZACIVSA-N 2 2 330.432 1.260 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457109585 447519027 /nfs/dbraw/zinc/51/90/27/447519027.db2.gz YHWLHQQVMNMELV-CQSZACIVSA-N 2 2 330.432 1.260 20 0 EDADLP COc1c(C)c[nH+]c(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)c1C ZINC000393055280 447529790 /nfs/dbraw/zinc/52/97/90/447529790.db2.gz NTJDOSATWASUSC-UGSOOPFHSA-N 2 2 346.431 1.647 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc(C)[nH+]1 ZINC000422426060 447544315 /nfs/dbraw/zinc/54/43/15/447544315.db2.gz ASQUKWVQOWKZQU-MRXNPFEDSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc(C)[nH+]1 ZINC000422426060 447544318 /nfs/dbraw/zinc/54/43/18/447544318.db2.gz ASQUKWVQOWKZQU-MRXNPFEDSA-N 2 2 346.475 1.551 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000398028097 447554247 /nfs/dbraw/zinc/55/42/47/447554247.db2.gz MMDJFDGTMJZSAK-DFQSSKMNSA-N 3 2 349.519 1.426 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000398028097 447554256 /nfs/dbraw/zinc/55/42/56/447554256.db2.gz MMDJFDGTMJZSAK-DFQSSKMNSA-N 3 2 349.519 1.426 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398028097 447554265 /nfs/dbraw/zinc/55/42/65/447554265.db2.gz MMDJFDGTMJZSAK-DFQSSKMNSA-N 3 2 349.519 1.426 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398028097 447554272 /nfs/dbraw/zinc/55/42/72/447554272.db2.gz MMDJFDGTMJZSAK-DFQSSKMNSA-N 3 2 349.519 1.426 20 0 EDADLP C[N@H+](CCCCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000422459501 447570877 /nfs/dbraw/zinc/57/08/77/447570877.db2.gz ZAFHLSYCVWULEU-HNNXBMFYSA-N 2 2 347.463 1.454 20 0 EDADLP C[N@@H+](CCCCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000422459501 447570885 /nfs/dbraw/zinc/57/08/85/447570885.db2.gz ZAFHLSYCVWULEU-HNNXBMFYSA-N 2 2 347.463 1.454 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000420144235 447633014 /nfs/dbraw/zinc/63/30/14/447633014.db2.gz KYBGPZNQOLZRJU-CABCVRRESA-N 2 2 349.479 1.590 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416918238 447709301 /nfs/dbraw/zinc/70/93/01/447709301.db2.gz KWRUDCPKJJGZQS-SWLSCSKDSA-N 2 2 333.411 1.803 20 0 EDADLP COc1ccc([C@@H](NC(=O)N2CC[NH2+]C[C@@H]2C)c2[nH+]ccn2C)cc1 ZINC000416905494 447703761 /nfs/dbraw/zinc/70/37/61/447703761.db2.gz JPTZEBGWJIOAAJ-XJKSGUPXSA-N 2 2 343.431 1.521 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1F ZINC000416908410 447705064 /nfs/dbraw/zinc/70/50/64/447705064.db2.gz JNVCQPMVMGPACB-GJZGRUSLSA-N 2 2 331.395 1.685 20 0 EDADLP c1c[nH+]c(N2CCCC2)c(O[C@H]2CC[N@@H+](C[C@H]3COCCO3)C2)c1 ZINC000451021858 447653668 /nfs/dbraw/zinc/65/36/68/447653668.db2.gz BMZUXFUZWYYTEW-HOTGVXAUSA-N 2 2 333.432 1.550 20 0 EDADLP c1c[nH+]c(N2CCCC2)c(O[C@H]2CC[N@H+](C[C@H]3COCCO3)C2)c1 ZINC000451021858 447653672 /nfs/dbraw/zinc/65/36/72/447653672.db2.gz BMZUXFUZWYYTEW-HOTGVXAUSA-N 2 2 333.432 1.550 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc(C)[nH+]1 ZINC000422594743 447662229 /nfs/dbraw/zinc/66/22/29/447662229.db2.gz WZRVYWOXFVACJW-UHFFFAOYSA-N 2 2 332.448 1.257 20 0 EDADLP C[NH2+]CCC1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000420230033 447679219 /nfs/dbraw/zinc/67/92/19/447679219.db2.gz WQHGCFNRBGSLHF-GDBMZVCRSA-N 2 2 333.480 1.510 20 0 EDADLP C[NH2+]CCC1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000420230033 447679223 /nfs/dbraw/zinc/67/92/23/447679223.db2.gz WQHGCFNRBGSLHF-GDBMZVCRSA-N 2 2 333.480 1.510 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416807959 447689174 /nfs/dbraw/zinc/68/91/74/447689174.db2.gz HOXQJCVIUGWXOA-NVXWUHKLSA-N 2 2 334.464 1.314 20 0 EDADLP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416807959 447689179 /nfs/dbraw/zinc/68/91/79/447689179.db2.gz HOXQJCVIUGWXOA-NVXWUHKLSA-N 2 2 334.464 1.314 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1cccc(F)c1 ZINC000416923245 447711813 /nfs/dbraw/zinc/71/18/13/447711813.db2.gz WFPXLHQCUCGNCM-GJZGRUSLSA-N 2 2 331.395 1.685 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCC[C@H]([NH3+])C1)CC2 ZINC000422683546 447712252 /nfs/dbraw/zinc/71/22/52/447712252.db2.gz CSYJWBGCYWQWJA-HNNXBMFYSA-N 2 2 333.432 1.012 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCC[C@H]([NH3+])C1)CC2 ZINC000422683546 447712256 /nfs/dbraw/zinc/71/22/56/447712256.db2.gz CSYJWBGCYWQWJA-HNNXBMFYSA-N 2 2 333.432 1.012 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000422698094 447719400 /nfs/dbraw/zinc/71/94/00/447719400.db2.gz XMNLBAYURZIPRW-GOEBONIOSA-N 2 2 335.448 1.010 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704332 447721384 /nfs/dbraw/zinc/72/13/84/447721384.db2.gz KKIDILMCXVEBPW-KPFFTGBYSA-N 3 2 345.487 1.943 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704332 447721390 /nfs/dbraw/zinc/72/13/90/447721390.db2.gz KKIDILMCXVEBPW-KPFFTGBYSA-N 3 2 345.487 1.943 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000422711370 447723944 /nfs/dbraw/zinc/72/39/44/447723944.db2.gz FVRICZJPZSBERY-FUHWJXTLSA-N 3 2 333.476 1.485 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+]C2CC[NH+](CC)CC2)c1 ZINC000459642205 447729411 /nfs/dbraw/zinc/72/94/11/447729411.db2.gz GPJWLBXEKZINQI-UHFFFAOYSA-N 2 2 325.478 1.559 20 0 EDADLP CN(C)[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000422743123 447736276 /nfs/dbraw/zinc/73/62/76/447736276.db2.gz HYLOINHRBITGJI-NUJGCVRESA-N 2 2 339.430 1.924 20 0 EDADLP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)COc1ccc(F)c(F)c1 ZINC000422747284 447737010 /nfs/dbraw/zinc/73/70/10/447737010.db2.gz YHSHJQSWTOJKHO-OAUYIBNBSA-N 2 2 342.386 1.061 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422754089 447739841 /nfs/dbraw/zinc/73/98/41/447739841.db2.gz DPSDEQCPVNOJOB-VQIMIIECSA-N 2 2 345.487 1.895 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000422773529 447747016 /nfs/dbraw/zinc/74/70/16/447747016.db2.gz UILGHOVBYYPUAI-QFBILLFUSA-N 3 2 333.476 1.375 20 0 EDADLP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000422773529 447747018 /nfs/dbraw/zinc/74/70/18/447747018.db2.gz UILGHOVBYYPUAI-QFBILLFUSA-N 2 2 333.476 1.375 20 0 EDADLP Cc1ccc([C@H](C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)N2CCOCC2)o1 ZINC000422796710 447752582 /nfs/dbraw/zinc/75/25/82/447752582.db2.gz KGVDPGNENZDNOA-OIISXLGYSA-N 2 2 337.464 1.318 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000422821475 447759870 /nfs/dbraw/zinc/75/98/70/447759870.db2.gz WMNGXUGVNIHHLM-AEFFLSMTSA-N 3 2 328.460 1.831 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422821475 447759873 /nfs/dbraw/zinc/75/98/73/447759873.db2.gz WMNGXUGVNIHHLM-AEFFLSMTSA-N 2 2 328.460 1.831 20 0 EDADLP CC[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422824685 447761063 /nfs/dbraw/zinc/76/10/63/447761063.db2.gz HVZURPCKWBTDLX-QZTJIDSGSA-N 2 2 346.523 1.499 20 0 EDADLP CC[C@@H](NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422824685 447761068 /nfs/dbraw/zinc/76/10/68/447761068.db2.gz HVZURPCKWBTDLX-QZTJIDSGSA-N 2 2 346.523 1.499 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000422829737 447762446 /nfs/dbraw/zinc/76/24/46/447762446.db2.gz HVGDJSTWROLPRN-DLBZAZTESA-N 2 2 328.416 1.315 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000422916556 447772577 /nfs/dbraw/zinc/77/25/77/447772577.db2.gz DMLUXDKWYIDSTM-LSDHHAIUSA-N 2 2 333.432 1.159 20 0 EDADLP [NH3+][C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1cscn1 ZINC000422931008 447774981 /nfs/dbraw/zinc/77/49/81/447774981.db2.gz WMMQLOAPQYBIRD-AWEZNQCLSA-N 2 2 338.477 1.294 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430561008 447780002 /nfs/dbraw/zinc/78/00/02/447780002.db2.gz YFSZZBOMTQTABY-GOSISDBHSA-N 2 2 336.455 1.437 20 0 EDADLP CC(C)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000422963381 447782351 /nfs/dbraw/zinc/78/23/51/447782351.db2.gz IICBTSWWPWNULF-RLLQIKCJSA-N 3 2 332.536 1.807 20 0 EDADLP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000496440689 447784171 /nfs/dbraw/zinc/78/41/71/447784171.db2.gz CSTWNDYKPBBGFX-YHUYYLMFSA-N 2 2 327.469 1.600 20 0 EDADLP CC[C@@H]([NH2+]CCNS(=O)(=O)c1cc(C)sc1C)[C@@H]1CCC[NH2+]1 ZINC000422995369 447789106 /nfs/dbraw/zinc/78/91/06/447789106.db2.gz JYLJQBXVFXHUQV-KGLIPLIRSA-N 2 2 345.534 1.763 20 0 EDADLP COC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000423003265 447790743 /nfs/dbraw/zinc/79/07/43/447790743.db2.gz LICHUOTXSFQCIR-IRXDYDNUSA-N 2 2 334.416 1.338 20 0 EDADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000423046125 447796858 /nfs/dbraw/zinc/79/68/58/447796858.db2.gz DFYMXBRPFOSZPG-VQIMIIECSA-N 2 2 340.471 1.966 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423077376 447799688 /nfs/dbraw/zinc/79/96/88/447799688.db2.gz LXZBNVGYMJTFMR-SNPRPXQTSA-N 2 2 328.403 1.472 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](Nc2nc(C)[nH+]c(N(C)C)n2)[C@@H](C)C1 ZINC000488386244 447846328 /nfs/dbraw/zinc/84/63/28/447846328.db2.gz LKYXVHTUHCJRIL-ZFWWWQNUSA-N 2 2 336.484 1.795 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](Nc2nc(C)[nH+]c(N(C)C)n2)[C@@H](C)C1 ZINC000488386244 447846330 /nfs/dbraw/zinc/84/63/30/447846330.db2.gz LKYXVHTUHCJRIL-ZFWWWQNUSA-N 2 2 336.484 1.795 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H](C)C1 ZINC000488386244 447846332 /nfs/dbraw/zinc/84/63/32/447846332.db2.gz LKYXVHTUHCJRIL-ZFWWWQNUSA-N 2 2 336.484 1.795 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](Nc2nc(N(C)C)nc(C)[nH+]2)[C@@H](C)C1 ZINC000488386244 447846334 /nfs/dbraw/zinc/84/63/34/447846334.db2.gz LKYXVHTUHCJRIL-ZFWWWQNUSA-N 2 2 336.484 1.795 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCC1(F)F ZINC000496700662 447851336 /nfs/dbraw/zinc/85/13/36/447851336.db2.gz KXNWVIHDHCFILH-IUODEOHRSA-N 2 2 329.391 1.838 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCC1(F)F ZINC000496700662 447851338 /nfs/dbraw/zinc/85/13/38/447851338.db2.gz KXNWVIHDHCFILH-IUODEOHRSA-N 2 2 329.391 1.838 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000452379934 447819876 /nfs/dbraw/zinc/81/98/76/447819876.db2.gz DQDUURIBRUYERP-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000452379934 447819877 /nfs/dbraw/zinc/81/98/77/447819877.db2.gz DQDUURIBRUYERP-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000452379934 447819878 /nfs/dbraw/zinc/81/98/78/447819878.db2.gz DQDUURIBRUYERP-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCCO)C1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000452379934 447819879 /nfs/dbraw/zinc/81/98/79/447819879.db2.gz DQDUURIBRUYERP-MSOLQXFVSA-N 2 2 331.460 1.224 20 0 EDADLP CC[NH+](CC)CCOC1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000489951126 447881400 /nfs/dbraw/zinc/88/14/00/447881400.db2.gz ZEKBGAWTIBLMKK-UHFFFAOYSA-N 2 2 336.484 1.573 20 0 EDADLP CC[NH+](CC)CCOC1CCN(c2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000489951126 447881406 /nfs/dbraw/zinc/88/14/06/447881406.db2.gz ZEKBGAWTIBLMKK-UHFFFAOYSA-N 2 2 336.484 1.573 20 0 EDADLP C[C@H](CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C[NH+](C)C ZINC000490067630 447886222 /nfs/dbraw/zinc/88/62/22/447886222.db2.gz YIPURTIPNYKKTE-CQSZACIVSA-N 2 2 336.461 1.407 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)C[C@H](C)O1 ZINC000575742695 447887216 /nfs/dbraw/zinc/88/72/16/447887216.db2.gz LVYBJFLDWVVGFF-XMTFNYHQSA-N 2 2 340.508 1.928 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)C[C@H](C)O1 ZINC000575742695 447887221 /nfs/dbraw/zinc/88/72/21/447887221.db2.gz LVYBJFLDWVVGFF-XMTFNYHQSA-N 2 2 340.508 1.928 20 0 EDADLP Cc1nc(N(C)C)nc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000490104981 447888386 /nfs/dbraw/zinc/88/83/86/447888386.db2.gz PJADVSABUBQOBR-CQSZACIVSA-N 2 2 328.464 2.569 20 0 EDADLP Cc1nc(N(C)C)nc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000490104981 447888392 /nfs/dbraw/zinc/88/83/92/447888392.db2.gz PJADVSABUBQOBR-CQSZACIVSA-N 2 2 328.464 2.569 20 0 EDADLP Cc1nc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000490104981 447888394 /nfs/dbraw/zinc/88/83/94/447888394.db2.gz PJADVSABUBQOBR-CQSZACIVSA-N 2 2 328.464 2.569 20 0 EDADLP Cc1nc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000490104981 447888398 /nfs/dbraw/zinc/88/83/98/447888398.db2.gz PJADVSABUBQOBR-CQSZACIVSA-N 2 2 328.464 2.569 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000570062342 447943077 /nfs/dbraw/zinc/94/30/77/447943077.db2.gz XLNXMBDNBQBECL-CYBMUJFWSA-N 2 2 329.404 1.031 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCOC[C@@H]3CCCO3)c2cc1C ZINC000570155692 447955218 /nfs/dbraw/zinc/95/52/18/447955218.db2.gz PDRLVOGQIMUIMN-IRXDYDNUSA-N 2 2 347.459 1.799 20 0 EDADLP Cc1nc(N)c(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c[nH+]1 ZINC000552183363 447938515 /nfs/dbraw/zinc/93/85/15/447938515.db2.gz ZTEHTQWYVYRYIH-UHFFFAOYSA-N 2 2 339.399 2.105 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000570289820 447979104 /nfs/dbraw/zinc/97/91/04/447979104.db2.gz RPIBSLMXGSMPJW-AWEZNQCLSA-N 2 2 328.403 1.873 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)[NH+]1CCOCC1 ZINC000570408883 448007659 /nfs/dbraw/zinc/00/76/59/448007659.db2.gz LRZJNPXGISFHNO-LSDHHAIUSA-N 2 2 332.448 1.256 20 0 EDADLP C[C@H](c1ccccc1Br)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570412225 448008466 /nfs/dbraw/zinc/00/84/66/448008466.db2.gz VYTIJQWJOCKPDL-GYSYKLTISA-N 2 2 338.249 1.754 20 0 EDADLP C[C@H](c1ccccc1Br)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570412225 448008470 /nfs/dbraw/zinc/00/84/70/448008470.db2.gz VYTIJQWJOCKPDL-GYSYKLTISA-N 2 2 338.249 1.754 20 0 EDADLP Cc1cnc(CC[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nc1 ZINC000570274004 447974101 /nfs/dbraw/zinc/97/41/01/447974101.db2.gz UAQMKVRLCLCTPV-MRXNPFEDSA-N 2 2 339.443 1.945 20 0 EDADLP C[NH+]1CCN(c2cccc(C(=O)NC(C)(C)c3[nH]cc[nH+]3)n2)CC1 ZINC000570576415 448032381 /nfs/dbraw/zinc/03/23/81/448032381.db2.gz CAVIXZXPQWGNCG-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H](C)[C@H]3CCC[NH2+]3)c[nH+]2)CC1 ZINC000496939876 448054887 /nfs/dbraw/zinc/05/48/87/448054887.db2.gz PDAQFDOGGNBPPQ-DZGCQCFKSA-N 2 2 333.436 1.522 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000576466288 448062598 /nfs/dbraw/zinc/06/25/98/448062598.db2.gz NWUFZCUHGLVDLY-ZNMIVQPWSA-N 2 2 332.366 1.382 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000576466288 448062604 /nfs/dbraw/zinc/06/26/04/448062604.db2.gz NWUFZCUHGLVDLY-ZNMIVQPWSA-N 2 2 332.366 1.382 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)s1 ZINC000570832289 448071451 /nfs/dbraw/zinc/07/14/51/448071451.db2.gz FGHQRMASEAVNDS-CHWSQXEVSA-N 2 2 331.507 1.455 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000497711083 448072311 /nfs/dbraw/zinc/07/23/11/448072311.db2.gz QKUVUJXYCQQPJM-JNNRSPCRSA-N 2 2 345.491 1.544 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000497711083 448072316 /nfs/dbraw/zinc/07/23/16/448072316.db2.gz QKUVUJXYCQQPJM-JNNRSPCRSA-N 2 2 345.491 1.544 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C1 ZINC000497724355 448074677 /nfs/dbraw/zinc/07/46/77/448074677.db2.gz VSSCDSQAJCBDKH-QUIPCFFLSA-N 2 2 328.460 1.816 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C1 ZINC000497724355 448074683 /nfs/dbraw/zinc/07/46/83/448074683.db2.gz VSSCDSQAJCBDKH-QUIPCFFLSA-N 2 2 328.460 1.816 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)CC2 ZINC000571052651 448101696 /nfs/dbraw/zinc/10/16/96/448101696.db2.gz ZRFPMUCARPKGGQ-MRXNPFEDSA-N 2 2 347.507 1.286 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC(C)(C)CCN1CC[NH+](C)CC1)CC2 ZINC000571052651 448101705 /nfs/dbraw/zinc/10/17/05/448101705.db2.gz ZRFPMUCARPKGGQ-MRXNPFEDSA-N 2 2 347.507 1.286 20 0 EDADLP CCO[C@@H]1C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000571148986 448110974 /nfs/dbraw/zinc/11/09/74/448110974.db2.gz KWWCMOVYGPMVPG-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC[NH+]1CCOCC1)c1ccco1 ZINC000505740748 448125834 /nfs/dbraw/zinc/12/58/34/448125834.db2.gz WRFONSITUHVUFC-CABCVRRESA-N 2 2 338.452 1.340 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000577082777 448209238 /nfs/dbraw/zinc/20/92/38/448209238.db2.gz NGLUFVNGTZHRNG-INIZCTEOSA-N 2 2 331.464 1.821 20 0 EDADLP Cc1ccccc1O[C@H](C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514932745 448227409 /nfs/dbraw/zinc/22/74/09/448227409.db2.gz LVBSRQRRZLVMOJ-ZJPYXAASSA-N 2 2 336.476 1.822 20 0 EDADLP Cc1ccccc1O[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514932745 448227415 /nfs/dbraw/zinc/22/74/15/448227415.db2.gz LVBSRQRRZLVMOJ-ZJPYXAASSA-N 2 2 336.476 1.822 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000514867393 448218128 /nfs/dbraw/zinc/21/81/28/448218128.db2.gz LUIIWVLFWLSBMT-ZBFHGGJFSA-N 2 2 325.840 1.348 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000514867393 448218136 /nfs/dbraw/zinc/21/81/36/448218136.db2.gz LUIIWVLFWLSBMT-ZBFHGGJFSA-N 2 2 325.840 1.348 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000591143290 448270975 /nfs/dbraw/zinc/27/09/75/448270975.db2.gz VIJQNWJEKKWJOK-UHFFFAOYSA-N 2 2 342.443 1.812 20 0 EDADLP C[NH+](C)[C@H]1CCCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000492696142 448261074 /nfs/dbraw/zinc/26/10/74/448261074.db2.gz MEUXWHSWPHTVKM-INIZCTEOSA-N 2 2 340.512 1.565 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2cc(Cl)ccc2Cl)[C@H](C[NH3+])C1 ZINC000515299063 448286252 /nfs/dbraw/zinc/28/62/52/448286252.db2.gz IVNYWJUZRNGSJX-LLVKDONJSA-N 2 2 332.231 1.474 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2cc(Cl)ccc2Cl)[C@H](C[NH3+])C1 ZINC000515299063 448286255 /nfs/dbraw/zinc/28/62/55/448286255.db2.gz IVNYWJUZRNGSJX-LLVKDONJSA-N 2 2 332.231 1.474 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC000582901096 448372833 /nfs/dbraw/zinc/37/28/33/448372833.db2.gz NAFGNNIHAZFEEW-IMFGXOCKSA-N 2 2 348.487 1.653 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC000582901096 448372840 /nfs/dbraw/zinc/37/28/40/448372840.db2.gz NAFGNNIHAZFEEW-IMFGXOCKSA-N 2 2 348.487 1.653 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccncc1 ZINC000572249241 448327533 /nfs/dbraw/zinc/32/75/33/448327533.db2.gz ADIZXZKRLXMIHP-QGZVFWFLSA-N 2 2 334.464 1.083 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1ccncc1 ZINC000572249241 448327537 /nfs/dbraw/zinc/32/75/37/448327537.db2.gz ADIZXZKRLXMIHP-QGZVFWFLSA-N 2 2 334.464 1.083 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000572249241 448327547 /nfs/dbraw/zinc/32/75/47/448327547.db2.gz ADIZXZKRLXMIHP-QGZVFWFLSA-N 2 2 334.464 1.083 20 0 EDADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cc(F)ccc1F ZINC000572262323 448331408 /nfs/dbraw/zinc/33/14/08/448331408.db2.gz KUTOKALRTMTZFL-IUODEOHRSA-N 2 2 326.391 1.700 20 0 EDADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cc(F)ccc1F ZINC000572262323 448331411 /nfs/dbraw/zinc/33/14/11/448331411.db2.gz KUTOKALRTMTZFL-IUODEOHRSA-N 2 2 326.391 1.700 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000583002982 448399065 /nfs/dbraw/zinc/39/90/65/448399065.db2.gz HHDBXAZJFLKATD-HZPDHXFCSA-N 2 2 335.496 1.497 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000583002982 448399072 /nfs/dbraw/zinc/39/90/72/448399072.db2.gz HHDBXAZJFLKATD-HZPDHXFCSA-N 2 2 335.496 1.497 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000583002982 448399074 /nfs/dbraw/zinc/39/90/74/448399074.db2.gz HHDBXAZJFLKATD-HZPDHXFCSA-N 2 2 335.496 1.497 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000583002982 448399078 /nfs/dbraw/zinc/39/90/78/448399078.db2.gz HHDBXAZJFLKATD-HZPDHXFCSA-N 2 2 335.496 1.497 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000583057727 448412210 /nfs/dbraw/zinc/41/22/10/448412210.db2.gz HQAOEJCQCUVXEI-HZPDHXFCSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000583057727 448412212 /nfs/dbraw/zinc/41/22/12/448412212.db2.gz HQAOEJCQCUVXEI-HZPDHXFCSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000583057727 448412214 /nfs/dbraw/zinc/41/22/14/448412214.db2.gz HQAOEJCQCUVXEI-HZPDHXFCSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000583057727 448412216 /nfs/dbraw/zinc/41/22/16/448412216.db2.gz HQAOEJCQCUVXEI-HZPDHXFCSA-N 2 2 339.443 1.841 20 0 EDADLP CC(C)Cn1nccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000583085914 448420447 /nfs/dbraw/zinc/42/04/47/448420447.db2.gz RKRHFNJUTCLYEJ-UHFFFAOYSA-N 2 2 347.507 1.828 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000577939650 448421099 /nfs/dbraw/zinc/42/10/99/448421099.db2.gz DIAYESSZIVXBQX-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000577939650 448421102 /nfs/dbraw/zinc/42/11/02/448421102.db2.gz DIAYESSZIVXBQX-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000533865564 448426764 /nfs/dbraw/zinc/42/67/64/448426764.db2.gz QRPCMRDTCDQYKZ-ZBFHGGJFSA-N 2 2 342.443 1.923 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000533865564 448426768 /nfs/dbraw/zinc/42/67/68/448426768.db2.gz QRPCMRDTCDQYKZ-ZBFHGGJFSA-N 2 2 342.443 1.923 20 0 EDADLP C[C@H](CC(=O)N(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1)n1cc[nH+]c1 ZINC000566341353 448449069 /nfs/dbraw/zinc/44/90/69/448449069.db2.gz RJYWVUMLDMCPRH-LSDHHAIUSA-N 2 2 346.435 1.257 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccncc3C)CC2)CC1 ZINC000572748391 448455524 /nfs/dbraw/zinc/45/55/24/448455524.db2.gz CYRLPCJCLAZRTH-UHFFFAOYSA-N 2 2 345.491 1.836 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccncc3C)CC2)CC1 ZINC000572748391 448455530 /nfs/dbraw/zinc/45/55/30/448455530.db2.gz CYRLPCJCLAZRTH-UHFFFAOYSA-N 2 2 345.491 1.836 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cc(=O)[nH]c3ccccc23)C[C@H](C)O1 ZINC000572751380 448457773 /nfs/dbraw/zinc/45/77/73/448457773.db2.gz GLPWRHQPKKESBK-IJEWVQPXSA-N 2 2 345.443 1.500 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cc(=O)[nH]c3ccccc23)C[C@H](C)O1 ZINC000572751380 448457778 /nfs/dbraw/zinc/45/77/78/448457778.db2.gz GLPWRHQPKKESBK-IJEWVQPXSA-N 2 2 345.443 1.500 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCC2Cc3ccccc3C2)C[C@H](C)O1 ZINC000516862011 448484260 /nfs/dbraw/zinc/48/42/60/448484260.db2.gz DMYGMJBMZBJCAA-GQIGUUNPSA-N 2 2 332.488 1.851 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCC2Cc3ccccc3C2)C[C@H](C)O1 ZINC000516862011 448484267 /nfs/dbraw/zinc/48/42/67/448484267.db2.gz DMYGMJBMZBJCAA-GQIGUUNPSA-N 2 2 332.488 1.851 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862909 448472633 /nfs/dbraw/zinc/47/26/33/448472633.db2.gz WRXFSNOSNNSSQW-HNNXBMFYSA-N 2 2 334.464 1.889 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc2c(c1)CCCC2 ZINC000584399956 448511042 /nfs/dbraw/zinc/51/10/42/448511042.db2.gz LZZGRCSQKHPIJG-KDOFPFPSSA-N 2 2 330.476 1.911 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc2c(c1)CCCC2 ZINC000584399956 448511044 /nfs/dbraw/zinc/51/10/44/448511044.db2.gz LZZGRCSQKHPIJG-KDOFPFPSSA-N 2 2 330.476 1.911 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000516970505 448512891 /nfs/dbraw/zinc/51/28/91/448512891.db2.gz QLNSQSLZQLMUKQ-LSDHHAIUSA-N 2 2 342.867 1.516 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000516970505 448512897 /nfs/dbraw/zinc/51/28/97/448512897.db2.gz QLNSQSLZQLMUKQ-LSDHHAIUSA-N 2 2 342.867 1.516 20 0 EDADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000516976807 448514366 /nfs/dbraw/zinc/51/43/66/448514366.db2.gz RJMIFRLKPPQNJC-KBPBESRZSA-N 2 2 328.420 1.883 20 0 EDADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000516976807 448514372 /nfs/dbraw/zinc/51/43/72/448514372.db2.gz RJMIFRLKPPQNJC-KBPBESRZSA-N 2 2 328.420 1.883 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000573007846 448522268 /nfs/dbraw/zinc/52/22/68/448522268.db2.gz LISYCFVVNNXOSY-MRXNPFEDSA-N 2 2 333.476 1.700 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000537287744 448555205 /nfs/dbraw/zinc/55/52/05/448555205.db2.gz MNRVBXCMJPKDIA-DLBZAZTESA-N 2 2 346.475 1.516 20 0 EDADLP CNc1nc(NC[C@H](O)C[NH+]2CCC(C)CC2)[nH+]c2ccccc21 ZINC000566778351 448555580 /nfs/dbraw/zinc/55/55/80/448555580.db2.gz XGHRNDSMEWTXDU-AWEZNQCLSA-N 2 2 329.448 1.020 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000573100841 448543722 /nfs/dbraw/zinc/54/37/22/448543722.db2.gz CQQTYCLKXBZTMY-XJKSGUPXSA-N 2 2 344.459 1.007 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1cccc(C(=O)NC2CC2)c1 ZINC000573100841 448543728 /nfs/dbraw/zinc/54/37/28/448543728.db2.gz CQQTYCLKXBZTMY-XJKSGUPXSA-N 2 2 344.459 1.007 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000566730287 448546017 /nfs/dbraw/zinc/54/60/17/448546017.db2.gz IQFGIQIZWDYFGS-CYBMUJFWSA-N 2 2 329.404 1.263 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNc2nc(C3CC3)[nH+]c(C)c2OC)CC1 ZINC000578453324 448551171 /nfs/dbraw/zinc/55/11/71/448551171.db2.gz OQXZXVOXUDZVBD-ZDUSSCGKSA-N 2 2 333.480 2.109 20 0 EDADLP C[C@@H](C(=O)N(C)C1(C[NH3+])CCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000573375322 448612588 /nfs/dbraw/zinc/61/25/88/448612588.db2.gz UXMQNXVYCQLWSC-HNNXBMFYSA-N 2 2 348.466 1.676 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@@H+]1C ZINC000584751551 448616507 /nfs/dbraw/zinc/61/65/07/448616507.db2.gz ZAMZBTDNOJOJSI-HOCLYGCPSA-N 2 2 332.448 1.126 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CC[N@H+]1C ZINC000584751551 448616509 /nfs/dbraw/zinc/61/65/09/448616509.db2.gz ZAMZBTDNOJOJSI-HOCLYGCPSA-N 2 2 332.448 1.126 20 0 EDADLP COC(=O)c1nccnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000591924516 448584486 /nfs/dbraw/zinc/58/44/86/448584486.db2.gz NFHQXRWZNRJHCE-UHFFFAOYSA-N 2 2 347.463 1.258 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000578611278 448592086 /nfs/dbraw/zinc/59/20/86/448592086.db2.gz YTBVFHJXGMHJNS-GOSISDBHSA-N 2 2 331.416 1.107 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000578611278 448592089 /nfs/dbraw/zinc/59/20/89/448592089.db2.gz YTBVFHJXGMHJNS-GOSISDBHSA-N 2 2 331.416 1.107 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000573322028 448597972 /nfs/dbraw/zinc/59/79/72/448597972.db2.gz ICFLUFCZJCUMMH-ZOBUZTSGSA-N 2 2 334.464 1.485 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573487336 448640607 /nfs/dbraw/zinc/64/06/07/448640607.db2.gz FITDQUWDPODFAT-INIZCTEOSA-N 2 2 337.489 1.322 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573487336 448640611 /nfs/dbraw/zinc/64/06/11/448640611.db2.gz FITDQUWDPODFAT-INIZCTEOSA-N 2 2 337.489 1.322 20 0 EDADLP C[N@@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H](c2ccccc2)C1 ZINC000540901108 448650217 /nfs/dbraw/zinc/65/02/17/448650217.db2.gz XNEVBHZEPAZYPJ-RDJZCZTQSA-N 2 2 348.410 1.490 20 0 EDADLP C[N@H+]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H](c2ccccc2)C1 ZINC000540901108 448650223 /nfs/dbraw/zinc/65/02/23/448650223.db2.gz XNEVBHZEPAZYPJ-RDJZCZTQSA-N 2 2 348.410 1.490 20 0 EDADLP c1ncn(-c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2)n1 ZINC000518216397 448656844 /nfs/dbraw/zinc/65/68/44/448656844.db2.gz JNSJLJJCRPDUKG-SFHVURJKSA-N 2 2 341.459 1.954 20 0 EDADLP c1ncn(-c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cc2)n1 ZINC000518216397 448656847 /nfs/dbraw/zinc/65/68/47/448656847.db2.gz JNSJLJJCRPDUKG-SFHVURJKSA-N 2 2 341.459 1.954 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000517936980 448632120 /nfs/dbraw/zinc/63/21/20/448632120.db2.gz GLAPFSLWKKYPSU-ZDUSSCGKSA-N 2 2 347.415 1.041 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000517936980 448632123 /nfs/dbraw/zinc/63/21/23/448632123.db2.gz GLAPFSLWKKYPSU-ZDUSSCGKSA-N 2 2 347.415 1.041 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000578765482 448632937 /nfs/dbraw/zinc/63/29/37/448632937.db2.gz CSBHBSJFQUDAEK-XVTSOASTSA-N 2 2 331.460 1.903 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC3CCC2(C[NH3+])CC3)c1 ZINC000578765482 448632939 /nfs/dbraw/zinc/63/29/39/448632939.db2.gz CSBHBSJFQUDAEK-XVTSOASTSA-N 2 2 331.460 1.903 20 0 EDADLP C[N@@H+]1CCN(Cc2cc3c(cc2OC(F)F)OCO3)[C@@H](C[NH3+])C1 ZINC000578769067 448633929 /nfs/dbraw/zinc/63/39/29/448633929.db2.gz JMALWNGGTBYMQM-NSHDSACASA-N 2 2 329.347 1.091 20 0 EDADLP C[N@H+]1CCN(Cc2cc3c(cc2OC(F)F)OCO3)[C@@H](C[NH3+])C1 ZINC000578769067 448633934 /nfs/dbraw/zinc/63/39/34/448633934.db2.gz JMALWNGGTBYMQM-NSHDSACASA-N 2 2 329.347 1.091 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CCCOC1 ZINC000542812860 448722296 /nfs/dbraw/zinc/72/22/96/448722296.db2.gz SHNGQGPTWGBTCN-LSDHHAIUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000579022711 448698034 /nfs/dbraw/zinc/69/80/34/448698034.db2.gz UEVSOGKVQFCODG-WCQYABFASA-N 2 2 327.375 1.716 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000579022711 448698041 /nfs/dbraw/zinc/69/80/41/448698041.db2.gz UEVSOGKVQFCODG-WCQYABFASA-N 2 2 327.375 1.716 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000573723985 448698540 /nfs/dbraw/zinc/69/85/40/448698540.db2.gz JZOVRDNIJOCZML-APWZRJJASA-N 2 2 329.444 1.876 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000573723985 448698541 /nfs/dbraw/zinc/69/85/41/448698541.db2.gz JZOVRDNIJOCZML-APWZRJJASA-N 2 2 329.444 1.876 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nn1C1CCCCC1 ZINC000573666129 448683320 /nfs/dbraw/zinc/68/33/20/448683320.db2.gz ZKPCDBQXGZVDGD-OAHLLOKOSA-N 2 2 334.468 1.803 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nn1C1CCCCC1 ZINC000573666129 448683324 /nfs/dbraw/zinc/68/33/24/448683324.db2.gz ZKPCDBQXGZVDGD-OAHLLOKOSA-N 2 2 334.468 1.803 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000519548786 448784291 /nfs/dbraw/zinc/78/42/91/448784291.db2.gz JOCDZYZBEXBKBV-CMPLNLGQSA-N 2 2 329.322 1.171 20 0 EDADLP CCC[NH+]1CCC(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000574192280 448814234 /nfs/dbraw/zinc/81/42/34/448814234.db2.gz XIQSUZCLWALIOC-BQFCYCMXSA-N 3 2 327.513 1.168 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2OCC(F)F)[C@@H](C[NH3+])C1 ZINC000579450021 448794828 /nfs/dbraw/zinc/79/48/28/448794828.db2.gz XRFUBZDEPSDUHJ-NSHDSACASA-N 2 2 346.353 1.576 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2OCC(F)F)[C@@H](C[NH3+])C1 ZINC000579450021 448794832 /nfs/dbraw/zinc/79/48/32/448794832.db2.gz XRFUBZDEPSDUHJ-NSHDSACASA-N 2 2 346.353 1.576 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000529365696 448841962 /nfs/dbraw/zinc/84/19/62/448841962.db2.gz HIGGZFAPPPEPDM-CABCVRRESA-N 2 2 346.479 1.714 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)n1C ZINC000568269752 448847161 /nfs/dbraw/zinc/84/71/61/448847161.db2.gz WHYVLDJTQCDQOV-GFCCVEGCSA-N 2 2 336.461 1.830 20 0 EDADLP COC(=O)c1ccc2c(c1)nc(C[NH+]1CCC([C@H](C)[NH3+])CC1)[nH]c2=O ZINC000592471468 448851409 /nfs/dbraw/zinc/85/14/09/448851409.db2.gz HKELXPSORWUXKN-NSHDSACASA-N 2 2 344.415 1.681 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000592474252 448852105 /nfs/dbraw/zinc/85/21/05/448852105.db2.gz LFJTWGYPNITSNQ-LLVKDONJSA-N 2 2 327.450 1.841 20 0 EDADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000592474252 448852107 /nfs/dbraw/zinc/85/21/07/448852107.db2.gz LFJTWGYPNITSNQ-LLVKDONJSA-N 2 2 327.450 1.841 20 0 EDADLP Cc1ccc(-c2ncco2)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574424438 448872641 /nfs/dbraw/zinc/87/26/41/448872641.db2.gz YEKLMTVDFQFJKN-CQSZACIVSA-N 2 2 329.404 1.757 20 0 EDADLP Cc1ccc(-c2ncco2)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574424438 448872644 /nfs/dbraw/zinc/87/26/44/448872644.db2.gz YEKLMTVDFQFJKN-CQSZACIVSA-N 2 2 329.404 1.757 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000574582594 448909112 /nfs/dbraw/zinc/90/91/12/448909112.db2.gz JPTZMNQOEHQOBR-BEFAXECRSA-N 2 2 342.443 1.342 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000574582594 448909116 /nfs/dbraw/zinc/90/91/16/448909116.db2.gz JPTZMNQOEHQOBR-BEFAXECRSA-N 2 2 342.443 1.342 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000574582594 448909119 /nfs/dbraw/zinc/90/91/19/448909119.db2.gz JPTZMNQOEHQOBR-BEFAXECRSA-N 2 2 342.443 1.342 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000574582594 448909121 /nfs/dbraw/zinc/90/91/21/448909121.db2.gz JPTZMNQOEHQOBR-BEFAXECRSA-N 2 2 342.443 1.342 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000547673676 448912066 /nfs/dbraw/zinc/91/20/66/448912066.db2.gz AAMWRTKHEQRSSP-IAGOWNOFSA-N 2 2 341.459 1.670 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000588686703 448913894 /nfs/dbraw/zinc/91/38/94/448913894.db2.gz FHKFUMBWOVBMCZ-QGZVFWFLSA-N 2 2 328.412 1.998 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000588686703 448913899 /nfs/dbraw/zinc/91/38/99/448913899.db2.gz FHKFUMBWOVBMCZ-QGZVFWFLSA-N 2 2 328.412 1.998 20 0 EDADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009189 448964310 /nfs/dbraw/zinc/96/43/10/448964310.db2.gz YYOYSQDITUYQTM-AWEZNQCLSA-N 2 2 340.493 1.290 20 0 EDADLP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009189 448964312 /nfs/dbraw/zinc/96/43/12/448964312.db2.gz YYOYSQDITUYQTM-AWEZNQCLSA-N 2 2 340.493 1.290 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000529834399 448976758 /nfs/dbraw/zinc/97/67/58/448976758.db2.gz IRHKMSMICLGRGY-MRXNPFEDSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000529834399 448976763 /nfs/dbraw/zinc/97/67/63/448976763.db2.gz IRHKMSMICLGRGY-MRXNPFEDSA-N 2 2 331.460 1.728 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)[nH+]c12 ZINC000548050732 448977044 /nfs/dbraw/zinc/97/70/44/448977044.db2.gz ZCVURYRPALUSEY-HNNXBMFYSA-N 2 2 344.459 1.489 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@H+](CC(C)(C)O)C[C@@H]3C)[nH+]c12 ZINC000548050732 448977049 /nfs/dbraw/zinc/97/70/49/448977049.db2.gz ZCVURYRPALUSEY-HNNXBMFYSA-N 2 2 344.459 1.489 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](CO)CC(F)F)c2cc1C ZINC000574878717 448977547 /nfs/dbraw/zinc/97/75/47/448977547.db2.gz XQPPHWJSKUCBDH-QWHCGFSZSA-N 2 2 327.375 1.620 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](CO)CC(F)F)c2cc1C ZINC000574878716 448977854 /nfs/dbraw/zinc/97/78/54/448977854.db2.gz XQPPHWJSKUCBDH-OLZOCXBDSA-N 2 2 327.375 1.620 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cn2c1 ZINC000569213591 448980652 /nfs/dbraw/zinc/98/06/52/448980652.db2.gz MIRQDNHMPYNZGG-GOSISDBHSA-N 2 2 327.432 1.928 20 0 EDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000574994021 449009718 /nfs/dbraw/zinc/00/97/18/449009718.db2.gz KYIGRCREDAZKAE-INIZCTEOSA-N 2 2 349.479 1.237 20 0 EDADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000574994021 449009724 /nfs/dbraw/zinc/00/97/24/449009724.db2.gz KYIGRCREDAZKAE-INIZCTEOSA-N 2 2 349.479 1.237 20 0 EDADLP Cc1ncncc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000569500101 449035199 /nfs/dbraw/zinc/03/51/99/449035199.db2.gz ABHXFXSVYKKQRQ-DZGCQCFKSA-N 2 2 328.420 1.360 20 0 EDADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+][C@H]3CCc4nnnn4CC3)C2)cc1 ZINC000521992191 449036985 /nfs/dbraw/zinc/03/69/85/449036985.db2.gz VQYSLUZPPYMCQD-IRXDYDNUSA-N 2 2 326.448 1.632 20 0 EDADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+][C@H]3CCc4nnnn4CC3)C2)cc1 ZINC000521992191 449036989 /nfs/dbraw/zinc/03/69/89/449036989.db2.gz VQYSLUZPPYMCQD-IRXDYDNUSA-N 2 2 326.448 1.632 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000575235261 449066053 /nfs/dbraw/zinc/06/60/53/449066053.db2.gz WVGHSEIYHMBWDC-ZBFHGGJFSA-N 2 2 331.464 1.869 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)on1 ZINC000530239953 449090527 /nfs/dbraw/zinc/09/05/27/449090527.db2.gz JEXZTNKNRQTWKF-ZFWWWQNUSA-N 2 2 336.436 1.401 20 0 EDADLP CS[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000593600586 449099949 /nfs/dbraw/zinc/09/99/49/449099949.db2.gz BTYQDYCRCNCLDL-HOTGVXAUSA-N 2 2 348.516 1.800 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593733306 449167776 /nfs/dbraw/zinc/16/77/76/449167776.db2.gz LHZKLKQPTSVYMV-BBRMVZONSA-N 2 2 333.432 1.861 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593733306 449167781 /nfs/dbraw/zinc/16/77/81/449167781.db2.gz LHZKLKQPTSVYMV-BBRMVZONSA-N 2 2 333.432 1.861 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000593735018 449169926 /nfs/dbraw/zinc/16/99/26/449169926.db2.gz UOETXOIIMFGBNP-KSSFIOAISA-N 2 2 331.416 1.473 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000593735018 449169930 /nfs/dbraw/zinc/16/99/30/449169930.db2.gz UOETXOIIMFGBNP-KSSFIOAISA-N 2 2 331.416 1.473 20 0 EDADLP COC(=O)[C@@]1(OC)CC[N@H+](Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000600192461 449236967 /nfs/dbraw/zinc/23/69/67/449236967.db2.gz OTNXRXQQNHDOHR-GOSISDBHSA-N 2 2 329.400 1.945 20 0 EDADLP COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c[nH+]c(C)n2-c2ccccc2)C1 ZINC000600192461 449236970 /nfs/dbraw/zinc/23/69/70/449236970.db2.gz OTNXRXQQNHDOHR-GOSISDBHSA-N 2 2 329.400 1.945 20 0 EDADLP CCOC(=O)c1oc2ccccc2c1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595897144 449240624 /nfs/dbraw/zinc/24/06/24/449240624.db2.gz QHIBVRUOCMEOAR-UHFFFAOYSA-N 2 2 332.400 1.814 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000600218399 449250022 /nfs/dbraw/zinc/25/00/22/449250022.db2.gz QVBDDVXOICFNNY-INIZCTEOSA-N 2 2 337.464 1.147 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000594013839 449323029 /nfs/dbraw/zinc/32/30/29/449323029.db2.gz COORKNPMWJMIAK-OWCLPIDISA-N 2 2 344.496 1.225 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000594013839 449323036 /nfs/dbraw/zinc/32/30/36/449323036.db2.gz COORKNPMWJMIAK-OWCLPIDISA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000594013839 449323041 /nfs/dbraw/zinc/32/30/41/449323041.db2.gz COORKNPMWJMIAK-OWCLPIDISA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000594013839 449323047 /nfs/dbraw/zinc/32/30/47/449323047.db2.gz COORKNPMWJMIAK-OWCLPIDISA-N 2 2 344.496 1.225 20 0 EDADLP COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000602019569 449278717 /nfs/dbraw/zinc/27/87/17/449278717.db2.gz GWZKRQFQLCCBST-CQSZACIVSA-N 2 2 336.432 1.173 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(OC)CCOCC2)CC1 ZINC000611409786 449283911 /nfs/dbraw/zinc/28/39/11/449283911.db2.gz FOHAGIBQVIQXCB-UHFFFAOYSA-N 2 2 328.453 1.189 20 0 EDADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000596064815 449343867 /nfs/dbraw/zinc/34/38/67/449343867.db2.gz AEDTWOUDIPCQCF-HZPDHXFCSA-N 2 2 336.432 1.287 20 0 EDADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000596064815 449343871 /nfs/dbraw/zinc/34/38/71/449343871.db2.gz AEDTWOUDIPCQCF-HZPDHXFCSA-N 2 2 336.432 1.287 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000596179689 449399335 /nfs/dbraw/zinc/39/93/35/449399335.db2.gz OOCAMGFHTBVHIX-DOTOQJQBSA-N 2 2 346.475 1.259 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000617000239 449421883 /nfs/dbraw/zinc/42/18/83/449421883.db2.gz WAZJVBRRQCVIQT-DOTOQJQBSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000617000239 449421886 /nfs/dbraw/zinc/42/18/86/449421886.db2.gz WAZJVBRRQCVIQT-DOTOQJQBSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000617000239 449421889 /nfs/dbraw/zinc/42/18/89/449421889.db2.gz WAZJVBRRQCVIQT-DOTOQJQBSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000617000239 449421892 /nfs/dbraw/zinc/42/18/92/449421892.db2.gz WAZJVBRRQCVIQT-DOTOQJQBSA-N 2 2 337.508 1.866 20 0 EDADLP CCON1CCC(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000611974119 449499338 /nfs/dbraw/zinc/49/93/38/449499338.db2.gz MYYYZLTYGGCMQZ-UHFFFAOYSA-N 2 2 340.512 1.182 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600728258 449521070 /nfs/dbraw/zinc/52/10/70/449521070.db2.gz SRMGMLNNQKOHGE-SWKXRBFHSA-N 2 2 326.481 1.933 20 0 EDADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600728258 449521074 /nfs/dbraw/zinc/52/10/74/449521074.db2.gz SRMGMLNNQKOHGE-SWKXRBFHSA-N 2 2 326.481 1.933 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598719237 449562107 /nfs/dbraw/zinc/56/21/07/449562107.db2.gz MIYDIEMNAUWDQP-YJBOKZPZSA-N 2 2 334.464 1.765 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598719237 449562110 /nfs/dbraw/zinc/56/21/10/449562110.db2.gz MIYDIEMNAUWDQP-YJBOKZPZSA-N 2 2 334.464 1.765 20 0 EDADLP CN(CCCC[NH+](C)C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000607033016 449562519 /nfs/dbraw/zinc/56/25/19/449562519.db2.gz IRPGQCAADAYCNC-LJQANCHMSA-N 2 2 346.519 1.775 20 0 EDADLP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607356211 449601873 /nfs/dbraw/zinc/60/18/73/449601873.db2.gz CEMVGJSVRXYOCR-NVXWUHKLSA-N 2 2 341.459 2.244 20 0 EDADLP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607356211 449601877 /nfs/dbraw/zinc/60/18/77/449601877.db2.gz CEMVGJSVRXYOCR-NVXWUHKLSA-N 2 2 341.459 2.244 20 0 EDADLP CC[C@H](C)Oc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1OC ZINC000594736764 449658732 /nfs/dbraw/zinc/65/87/32/449658732.db2.gz SGBXNWDFSCALQH-NUEKZKHPSA-N 2 2 347.459 1.616 20 0 EDADLP CC[C@H](C)Oc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1OC ZINC000594736764 449658735 /nfs/dbraw/zinc/65/87/35/449658735.db2.gz SGBXNWDFSCALQH-NUEKZKHPSA-N 2 2 347.459 1.616 20 0 EDADLP CN(C(=O)[C@H]1Cc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906489 449663948 /nfs/dbraw/zinc/66/39/48/449663948.db2.gz KLPCTYUINBAZLY-HKUYNNGSSA-N 2 2 327.472 1.953 20 0 EDADLP CN(C(=O)[C@H]1Cc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906489 449663962 /nfs/dbraw/zinc/66/39/62/449663962.db2.gz KLPCTYUINBAZLY-HKUYNNGSSA-N 2 2 327.472 1.953 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)on1 ZINC000602567046 449678483 /nfs/dbraw/zinc/67/84/83/449678483.db2.gz HASFAMROKLBODH-HZPDHXFCSA-N 2 2 337.420 1.319 20 0 EDADLP COC(=O)c1cc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)on1 ZINC000602519911 449644721 /nfs/dbraw/zinc/64/47/21/449644721.db2.gz DHBCWTYYYMYAHM-UHFFFAOYSA-N 2 2 331.376 1.220 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000612429947 449698825 /nfs/dbraw/zinc/69/88/25/449698825.db2.gz BVIIVYIJDHRBKR-BZUAXINKSA-N 2 2 332.448 1.237 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C)c3[nH+]ccn3C)C2)CC1 ZINC000596931373 449723127 /nfs/dbraw/zinc/72/31/27/449723127.db2.gz LTYIVHRMYNGDLA-CVEARBPZSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)CO1 ZINC000617724252 449779592 /nfs/dbraw/zinc/77/95/92/449779592.db2.gz XLYDPYRDLBKCHB-ZIAGYGMSSA-N 2 2 336.436 1.109 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)CO1 ZINC000617724252 449779599 /nfs/dbraw/zinc/77/95/99/449779599.db2.gz XLYDPYRDLBKCHB-ZIAGYGMSSA-N 2 2 336.436 1.109 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)CC1 ZINC000614662760 449745238 /nfs/dbraw/zinc/74/52/38/449745238.db2.gz HKDYRYUYIZLRJS-OAHLLOKOSA-N 2 2 335.452 1.130 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)CC1 ZINC000614662760 449745247 /nfs/dbraw/zinc/74/52/47/449745247.db2.gz HKDYRYUYIZLRJS-OAHLLOKOSA-N 2 2 335.452 1.130 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCSc3ccc(F)cc3F)CCN2C1=O ZINC000594876408 449789167 /nfs/dbraw/zinc/78/91/67/449789167.db2.gz XZNSXCXJOVPVMG-YPMHNXCESA-N 2 2 327.400 1.301 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCSc3ccc(F)cc3F)CCN2C1=O ZINC000594876408 449789174 /nfs/dbraw/zinc/78/91/74/449789174.db2.gz XZNSXCXJOVPVMG-YPMHNXCESA-N 2 2 327.400 1.301 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1COc2ccccc2O1 ZINC000617763539 449821750 /nfs/dbraw/zinc/82/17/50/449821750.db2.gz UJDLVPOJNPUYFI-OAHLLOKOSA-N 2 2 335.448 1.216 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1COc2ccccc2O1 ZINC000617763539 449821754 /nfs/dbraw/zinc/82/17/54/449821754.db2.gz UJDLVPOJNPUYFI-OAHLLOKOSA-N 2 2 335.448 1.216 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000617763464 449823043 /nfs/dbraw/zinc/82/30/43/449823043.db2.gz RYQXAAMJKNTBNO-MSOLQXFVSA-N 2 2 333.476 1.416 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000617763464 449823047 /nfs/dbraw/zinc/82/30/47/449823047.db2.gz RYQXAAMJKNTBNO-MSOLQXFVSA-N 2 2 333.476 1.416 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000617764872 449823696 /nfs/dbraw/zinc/82/36/96/449823696.db2.gz JWRCXCWCPHGDRE-UHFFFAOYSA-N 2 2 346.475 1.192 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000617764872 449823700 /nfs/dbraw/zinc/82/37/00/449823700.db2.gz JWRCXCWCPHGDRE-UHFFFAOYSA-N 2 2 346.475 1.192 20 0 EDADLP CC(C)[C@@H]1C[C@@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000617764822 449825088 /nfs/dbraw/zinc/82/50/88/449825088.db2.gz IEBVFYJJFJRXOC-IRXDYDNUSA-N 2 2 327.513 1.827 20 0 EDADLP CC(C)[C@@H]1C[C@@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000617764822 449825094 /nfs/dbraw/zinc/82/50/94/449825094.db2.gz IEBVFYJJFJRXOC-IRXDYDNUSA-N 2 2 327.513 1.827 20 0 EDADLP CO[C@](C)(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccccc1F ZINC000617765099 449825952 /nfs/dbraw/zinc/82/59/52/449825952.db2.gz TXCWUDJFPMIMDK-SFHVURJKSA-N 2 2 339.455 1.687 20 0 EDADLP CO[C@](C)(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccccc1F ZINC000617765099 449825962 /nfs/dbraw/zinc/82/59/62/449825962.db2.gz TXCWUDJFPMIMDK-SFHVURJKSA-N 2 2 339.455 1.687 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(F)c(F)cc(F)c1F ZINC000617765835 449826497 /nfs/dbraw/zinc/82/64/97/449826497.db2.gz RUZLEAWAOLXBFZ-UHFFFAOYSA-N 2 2 335.345 1.856 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(F)c(F)cc(F)c1F ZINC000617765835 449826503 /nfs/dbraw/zinc/82/65/03/449826503.db2.gz RUZLEAWAOLXBFZ-UHFFFAOYSA-N 2 2 335.345 1.856 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(-c2ncccn2)s1 ZINC000617767091 449829675 /nfs/dbraw/zinc/82/96/75/449829675.db2.gz GRRRCQHQALIJNN-UHFFFAOYSA-N 2 2 348.476 1.213 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(-c2ncccn2)s1 ZINC000617767091 449829679 /nfs/dbraw/zinc/82/96/79/449829679.db2.gz GRRRCQHQALIJNN-UHFFFAOYSA-N 2 2 348.476 1.213 20 0 EDADLP CS[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)C[C@@H]1[NH+]1CCCC1 ZINC000614822370 449830329 /nfs/dbraw/zinc/83/03/29/449830329.db2.gz HKQXQWNQHNSPDS-KBPBESRZSA-N 2 2 330.461 1.678 20 0 EDADLP COC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000608447495 449842714 /nfs/dbraw/zinc/84/27/14/449842714.db2.gz YVCFEVJEIJTTHI-ZBFHGGJFSA-N 2 2 326.485 1.125 20 0 EDADLP COC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000608447495 449842718 /nfs/dbraw/zinc/84/27/18/449842718.db2.gz YVCFEVJEIJTTHI-ZBFHGGJFSA-N 2 2 326.485 1.125 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335191 449843831 /nfs/dbraw/zinc/84/38/31/449843831.db2.gz RJTDRISGYJDEGK-DOTOQJQBSA-N 2 2 345.443 1.876 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601335191 449843835 /nfs/dbraw/zinc/84/38/35/449843835.db2.gz RJTDRISGYJDEGK-DOTOQJQBSA-N 2 2 345.443 1.876 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000601285176 449797820 /nfs/dbraw/zinc/79/78/20/449797820.db2.gz CKJXGEPXPOXSNM-HNNXBMFYSA-N 2 2 336.484 1.070 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000599310047 449881744 /nfs/dbraw/zinc/88/17/44/449881744.db2.gz GAAGUTYAJJHIBJ-IEBWSBKVSA-N 2 2 344.503 1.798 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000599310047 449881749 /nfs/dbraw/zinc/88/17/49/449881749.db2.gz GAAGUTYAJJHIBJ-IEBWSBKVSA-N 2 2 344.503 1.798 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)s1 ZINC000602889878 449897775 /nfs/dbraw/zinc/89/77/75/449897775.db2.gz FLZQUGRAYOMHCD-INIZCTEOSA-N 2 2 326.462 1.732 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c(C)s1 ZINC000602889878 449897782 /nfs/dbraw/zinc/89/77/82/449897782.db2.gz FLZQUGRAYOMHCD-INIZCTEOSA-N 2 2 326.462 1.732 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000615088903 449950928 /nfs/dbraw/zinc/95/09/28/449950928.db2.gz VDIDCCYKKFFPHS-CABCVRRESA-N 2 2 332.448 1.157 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000615088903 449950931 /nfs/dbraw/zinc/95/09/31/449950931.db2.gz VDIDCCYKKFFPHS-CABCVRRESA-N 2 2 332.448 1.157 20 0 EDADLP COC(=O)[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000602901263 449907058 /nfs/dbraw/zinc/90/70/58/449907058.db2.gz AHZFMOGVLMAXPJ-ILZDJORESA-N 2 2 346.471 1.754 20 0 EDADLP COC(=O)[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000602901263 449907060 /nfs/dbraw/zinc/90/70/60/449907060.db2.gz AHZFMOGVLMAXPJ-ILZDJORESA-N 2 2 346.471 1.754 20 0 EDADLP COC(=O)[C@@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000602901263 449907062 /nfs/dbraw/zinc/90/70/62/449907062.db2.gz AHZFMOGVLMAXPJ-ILZDJORESA-N 2 2 346.471 1.754 20 0 EDADLP COC(=O)[C@@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000602901263 449907064 /nfs/dbraw/zinc/90/70/64/449907064.db2.gz AHZFMOGVLMAXPJ-ILZDJORESA-N 2 2 346.471 1.754 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000612862145 449915415 /nfs/dbraw/zinc/91/54/15/449915415.db2.gz IBXXFHHHSMXXJL-HKUYNNGSSA-N 2 2 346.475 1.420 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1cccc(F)c1 ZINC000612865188 449916337 /nfs/dbraw/zinc/91/63/37/449916337.db2.gz JOZVJSDIXFPEIO-RHSMWYFYSA-N 2 2 331.395 1.700 20 0 EDADLP CCc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000601472797 449996635 /nfs/dbraw/zinc/99/66/35/449996635.db2.gz VGOLMTLHELNFKV-OAHLLOKOSA-N 2 2 333.480 1.223 20 0 EDADLP CCc1c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000601472797 449996642 /nfs/dbraw/zinc/99/66/42/449996642.db2.gz VGOLMTLHELNFKV-OAHLLOKOSA-N 2 2 333.480 1.223 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC(=O)NCc1cccs1 ZINC000609157743 449970936 /nfs/dbraw/zinc/97/09/36/449970936.db2.gz UNCILYFFJYPYGX-CYBMUJFWSA-N 2 2 347.444 1.608 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC(=O)NCc1cccs1 ZINC000609157743 449970938 /nfs/dbraw/zinc/97/09/38/449970938.db2.gz UNCILYFFJYPYGX-CYBMUJFWSA-N 2 2 347.444 1.608 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCCO1 ZINC000613005119 449980121 /nfs/dbraw/zinc/98/01/21/449980121.db2.gz KMHPHJKMFWHTPP-BSLJZLGVSA-N 2 2 349.519 1.961 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCCO1 ZINC000613005119 449980127 /nfs/dbraw/zinc/98/01/27/449980127.db2.gz KMHPHJKMFWHTPP-BSLJZLGVSA-N 2 2 349.519 1.961 20 0 EDADLP Cc1cc(C)n([C@@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601478913 450001888 /nfs/dbraw/zinc/00/18/88/450001888.db2.gz PJWKJLUQYBRSRF-WMZOPIPTSA-N 2 2 347.507 1.688 20 0 EDADLP Cc1cc(C)n([C@@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601478913 450001894 /nfs/dbraw/zinc/00/18/94/450001894.db2.gz PJWKJLUQYBRSRF-WMZOPIPTSA-N 2 2 347.507 1.688 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSCc3cccnc3)C2)CC1 ZINC000609571129 450054297 /nfs/dbraw/zinc/05/42/97/450054297.db2.gz FZNONNWVSBLNAK-INIZCTEOSA-N 2 2 348.516 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSCc3cccnc3)C2)CC1 ZINC000609571129 450054302 /nfs/dbraw/zinc/05/43/02/450054302.db2.gz FZNONNWVSBLNAK-INIZCTEOSA-N 2 2 348.516 1.600 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000595391532 450105411 /nfs/dbraw/zinc/10/54/11/450105411.db2.gz FIJACOJKXYGGFH-OAHLLOKOSA-N 2 2 348.447 1.532 20 0 EDADLP CSCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609920568 450116925 /nfs/dbraw/zinc/11/69/25/450116925.db2.gz RBBFTQNTIHTZQP-CQSZACIVSA-N 2 2 328.526 1.597 20 0 EDADLP CSCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609920568 450116931 /nfs/dbraw/zinc/11/69/31/450116931.db2.gz RBBFTQNTIHTZQP-CQSZACIVSA-N 2 2 328.526 1.597 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)C2 ZINC000615601381 450159274 /nfs/dbraw/zinc/15/92/74/450159274.db2.gz IHWOJCAVFMIQNZ-PKOBYXMFSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)C2 ZINC000615601381 450159278 /nfs/dbraw/zinc/15/92/78/450159278.db2.gz IHWOJCAVFMIQNZ-PKOBYXMFSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C2 ZINC000615601381 450159282 /nfs/dbraw/zinc/15/92/82/450159282.db2.gz IHWOJCAVFMIQNZ-PKOBYXMFSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C2 ZINC000615601381 450159284 /nfs/dbraw/zinc/15/92/84/450159284.db2.gz IHWOJCAVFMIQNZ-PKOBYXMFSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000615546431 450137281 /nfs/dbraw/zinc/13/72/81/450137281.db2.gz INEFHUHIBMLXCY-SFHVURJKSA-N 2 2 331.460 1.685 20 0 EDADLP C[NH+](C)C1(C(=O)N2CCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)CC1 ZINC000613599182 450241234 /nfs/dbraw/zinc/24/12/34/450241234.db2.gz QKBDIPTYVYUVLS-UHFFFAOYSA-N 2 2 342.365 1.843 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000613661022 450263328 /nfs/dbraw/zinc/26/33/28/450263328.db2.gz QOCYTYIVHDSPGB-QZTJIDSGSA-N 2 2 331.460 1.731 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000620161058 450444060 /nfs/dbraw/zinc/44/40/60/450444060.db2.gz QSEUDFURVQPSAO-SFHVURJKSA-N 2 2 340.427 1.809 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)[NH+]1CCOCC1 ZINC000623306130 450490981 /nfs/dbraw/zinc/49/09/81/450490981.db2.gz GZFCNGJCFUFKCO-WBVHZDCISA-N 2 2 334.464 1.451 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c[nH+]cn2c1)C(C)(C)CO ZINC000616862872 450501420 /nfs/dbraw/zinc/50/14/20/450501420.db2.gz GQXTVURTRSWLQY-AWEZNQCLSA-N 2 2 327.388 1.557 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623488700 450530474 /nfs/dbraw/zinc/53/04/74/450530474.db2.gz AIRQFELOVGFXDG-GJZGRUSLSA-N 3 2 333.480 1.374 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000623488700 450530476 /nfs/dbraw/zinc/53/04/76/450530476.db2.gz AIRQFELOVGFXDG-GJZGRUSLSA-N 3 2 333.480 1.374 20 0 EDADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623617965 450552026 /nfs/dbraw/zinc/55/20/26/450552026.db2.gz YCGCOZGVASSYFR-HOCLYGCPSA-N 2 2 332.448 1.333 20 0 EDADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623617965 450552029 /nfs/dbraw/zinc/55/20/29/450552029.db2.gz YCGCOZGVASSYFR-HOCLYGCPSA-N 2 2 332.448 1.333 20 0 EDADLP COc1cc(OC)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000623620511 450553689 /nfs/dbraw/zinc/55/36/89/450553689.db2.gz SCTMZFKQFWSAFP-AWEZNQCLSA-N 2 2 339.411 1.272 20 0 EDADLP COc1cc(OC)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000623620511 450553692 /nfs/dbraw/zinc/55/36/92/450553692.db2.gz SCTMZFKQFWSAFP-AWEZNQCLSA-N 2 2 339.411 1.272 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000623705353 450568552 /nfs/dbraw/zinc/56/85/52/450568552.db2.gz TWGZRITYXPCDFO-INIZCTEOSA-N 2 2 343.431 1.465 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000623705353 450568554 /nfs/dbraw/zinc/56/85/54/450568554.db2.gz TWGZRITYXPCDFO-INIZCTEOSA-N 2 2 343.431 1.465 20 0 EDADLP COc1cc(OC)cc([C@@H](NC(=O)C[NH2+]C(C)C)c2[nH+]ccn2C)c1 ZINC000621241741 450626860 /nfs/dbraw/zinc/62/68/60/450626860.db2.gz GJDYRAKZSHRHPI-QGZVFWFLSA-N 2 2 346.431 1.641 20 0 EDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1nc2ccccc2n2c[nH+]cc12 ZINC000624025814 450675189 /nfs/dbraw/zinc/67/51/89/450675189.db2.gz OJLCNQDQJQXLIX-CQSZACIVSA-N 2 2 341.415 1.012 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000633036235 450632239 /nfs/dbraw/zinc/63/22/39/450632239.db2.gz ICJOPVNUVGCHTP-CHWSQXEVSA-N 2 2 340.383 1.761 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000633037117 450633501 /nfs/dbraw/zinc/63/35/01/450633501.db2.gz KULQBDBJKPTTFK-QWHCGFSZSA-N 2 2 340.383 1.761 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000635138053 450682226 /nfs/dbraw/zinc/68/22/26/450682226.db2.gz UOQLPOGGCFJZSK-MJGOQNOKSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000635138053 450682234 /nfs/dbraw/zinc/68/22/34/450682234.db2.gz UOQLPOGGCFJZSK-MJGOQNOKSA-N 2 2 345.487 1.826 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)ccc1S(C)(=O)=O ZINC000629539447 450727147 /nfs/dbraw/zinc/72/71/47/450727147.db2.gz PHVLWVQVTBZNRM-MBNYWOFBSA-N 2 2 326.462 1.890 20 0 EDADLP COc1cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc(Cl)c1OC ZINC000629654151 450772023 /nfs/dbraw/zinc/77/20/23/450772023.db2.gz WAGGAAOCBZLTGH-UHFFFAOYSA-N 2 2 338.795 1.601 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560321 450735843 /nfs/dbraw/zinc/73/58/43/450735843.db2.gz QWMFOVBLQSZFAY-PMACEKPBSA-N 3 2 331.504 1.597 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560321 450735848 /nfs/dbraw/zinc/73/58/48/450735848.db2.gz QWMFOVBLQSZFAY-PMACEKPBSA-N 3 2 331.504 1.597 20 0 EDADLP CC[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629571989 450742667 /nfs/dbraw/zinc/74/26/67/450742667.db2.gz LJVMGTXJZMIQTF-JKSUJKDBSA-N 2 2 340.489 1.285 20 0 EDADLP Cc1cc(NCCNC(=O)Nc2cc[nH+]cc2C)nc(C(C)C)[nH+]1 ZINC000626468685 450755266 /nfs/dbraw/zinc/75/52/66/450755266.db2.gz RUEZAZQNCNHSSA-UHFFFAOYSA-N 2 2 328.420 2.267 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000631868659 450837081 /nfs/dbraw/zinc/83/70/81/450837081.db2.gz MIIIQBWCRKUORY-QUCCMNQESA-N 2 2 345.487 1.960 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868322 450837242 /nfs/dbraw/zinc/83/72/42/450837242.db2.gz DIQPREZQWNYKRM-KHYOSLBOSA-N 2 2 331.460 1.946 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCn4cc(C)[nH+]c4C3)[C@H]2C1 ZINC000627531793 450797081 /nfs/dbraw/zinc/79/70/81/450797081.db2.gz IYMPPEZOQMKKAX-HRCADAONSA-N 2 2 332.448 1.076 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCn4cc(C)[nH+]c4C3)[C@H]2C1 ZINC000627531793 450797088 /nfs/dbraw/zinc/79/70/88/450797088.db2.gz IYMPPEZOQMKKAX-HRCADAONSA-N 2 2 332.448 1.076 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1OC ZINC000631887431 450848730 /nfs/dbraw/zinc/84/87/30/450848730.db2.gz RIIIIXFRWMLKDC-DZGCQCFKSA-N 2 2 333.432 1.716 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1OC ZINC000631887431 450848735 /nfs/dbraw/zinc/84/87/35/450848735.db2.gz RIIIIXFRWMLKDC-DZGCQCFKSA-N 2 2 333.432 1.716 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886952 450849106 /nfs/dbraw/zinc/84/91/06/450849106.db2.gz LBWOTOUDLUQLLQ-OWSLCNJRSA-N 2 2 337.508 1.772 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886952 450849112 /nfs/dbraw/zinc/84/91/12/450849112.db2.gz LBWOTOUDLUQLLQ-OWSLCNJRSA-N 2 2 337.508 1.772 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1nc3c(s1)C[N@H+](C)CC3)CC2 ZINC000629944627 450905879 /nfs/dbraw/zinc/90/58/79/450905879.db2.gz XRUNSLQEWOFLLP-NSHDSACASA-N 2 2 331.445 1.837 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1nc3c(s1)C[N@@H+](C)CC3)CC2 ZINC000629944627 450905883 /nfs/dbraw/zinc/90/58/83/450905883.db2.gz XRUNSLQEWOFLLP-NSHDSACASA-N 2 2 331.445 1.837 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635420489 450927795 /nfs/dbraw/zinc/92/77/95/450927795.db2.gz BSZDDKBOXAXKTR-ZDUSSCGKSA-N 2 2 348.369 1.557 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635420489 450927799 /nfs/dbraw/zinc/92/77/99/450927799.db2.gz BSZDDKBOXAXKTR-ZDUSSCGKSA-N 2 2 348.369 1.557 20 0 EDADLP CN(C(=O)c1cc(F)c[nH]c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621915274 450934628 /nfs/dbraw/zinc/93/46/28/450934628.db2.gz XICKEWPWCSDPNA-CQSZACIVSA-N 2 2 336.411 1.167 20 0 EDADLP CN(C(=O)c1cc(F)c[nH]c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621915274 450934632 /nfs/dbraw/zinc/93/46/32/450934632.db2.gz XICKEWPWCSDPNA-CQSZACIVSA-N 2 2 336.411 1.167 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000631990541 450947289 /nfs/dbraw/zinc/94/72/89/450947289.db2.gz BWCDNAJADKBERB-INIZCTEOSA-N 2 2 339.505 1.474 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000631990541 450947296 /nfs/dbraw/zinc/94/72/96/450947296.db2.gz BWCDNAJADKBERB-INIZCTEOSA-N 2 2 339.505 1.474 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)[NH+](C)C ZINC000635465970 450966842 /nfs/dbraw/zinc/96/68/42/450966842.db2.gz ACTSDEZUZPTWJS-CYBMUJFWSA-N 2 2 345.447 1.326 20 0 EDADLP C[C@H](C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1)[NH+](C)C ZINC000635465970 450966846 /nfs/dbraw/zinc/96/68/46/450966846.db2.gz ACTSDEZUZPTWJS-CYBMUJFWSA-N 2 2 345.447 1.326 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000626929673 451013023 /nfs/dbraw/zinc/01/30/23/451013023.db2.gz QDRVTQNBGMDVMH-UHFFFAOYSA-N 2 2 339.827 1.365 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635531953 451026982 /nfs/dbraw/zinc/02/69/82/451026982.db2.gz XFDUIAUBJDDHOY-STQMWFEESA-N 2 2 348.369 1.604 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000635531953 451026987 /nfs/dbraw/zinc/02/69/87/451026987.db2.gz XFDUIAUBJDDHOY-STQMWFEESA-N 2 2 348.369 1.604 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[NH2+]1 ZINC000626949779 451028857 /nfs/dbraw/zinc/02/88/57/451028857.db2.gz QETSKHPTLRBTKA-GXTWGEPZSA-N 2 2 331.395 1.951 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000635573178 451072461 /nfs/dbraw/zinc/07/24/61/451072461.db2.gz SIFSXBMDQLGYHH-JJXSEGSLSA-N 2 2 334.464 1.766 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000635573178 451072465 /nfs/dbraw/zinc/07/24/65/451072465.db2.gz SIFSXBMDQLGYHH-JJXSEGSLSA-N 2 2 334.464 1.766 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000635573178 451072470 /nfs/dbraw/zinc/07/24/70/451072470.db2.gz SIFSXBMDQLGYHH-JJXSEGSLSA-N 2 2 334.464 1.766 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000635573178 451072476 /nfs/dbraw/zinc/07/24/76/451072476.db2.gz SIFSXBMDQLGYHH-JJXSEGSLSA-N 2 2 334.464 1.766 20 0 EDADLP C[C@H](C(=O)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1)[NH+](C)C ZINC000635740016 451209254 /nfs/dbraw/zinc/20/92/54/451209254.db2.gz MULUGVIMPNZJMN-CZUORRHYSA-N 2 2 339.867 1.468 20 0 EDADLP CCCN1C[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1=O ZINC000634194065 451229302 /nfs/dbraw/zinc/22/93/02/451229302.db2.gz JGFUXGIJMIARNP-CQSZACIVSA-N 2 2 345.447 1.030 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000638115200 451283653 /nfs/dbraw/zinc/28/36/53/451283653.db2.gz BJHVCXGISNTLEH-YPMHNXCESA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@H+]1C ZINC000638115200 451283657 /nfs/dbraw/zinc/28/36/57/451283657.db2.gz BJHVCXGISNTLEH-YPMHNXCESA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[NH+]1C ZINC000638115200 451283661 /nfs/dbraw/zinc/28/36/61/451283661.db2.gz BJHVCXGISNTLEH-YPMHNXCESA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[NH+]1C ZINC000638115200 451283663 /nfs/dbraw/zinc/28/36/63/451283663.db2.gz BJHVCXGISNTLEH-YPMHNXCESA-N 2 2 345.896 1.902 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000630637487 451291692 /nfs/dbraw/zinc/29/16/92/451291692.db2.gz XEDGHKBNZIANMD-SFHVURJKSA-N 2 2 341.459 1.574 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000630637487 451291695 /nfs/dbraw/zinc/29/16/95/451291695.db2.gz XEDGHKBNZIANMD-SFHVURJKSA-N 2 2 341.459 1.574 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638129243 451300311 /nfs/dbraw/zinc/30/03/11/451300311.db2.gz XQVMIVUEOAWCPU-UHFFFAOYSA-N 3 2 344.503 1.017 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638139220 451314568 /nfs/dbraw/zinc/31/45/68/451314568.db2.gz KFWAOVIUWFLWDH-UONOGXRCSA-N 2 2 344.381 1.067 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638139220 451314572 /nfs/dbraw/zinc/31/45/72/451314572.db2.gz KFWAOVIUWFLWDH-UONOGXRCSA-N 2 2 344.381 1.067 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cnc3c(c1)C[C@H]([NH3+])CC3)CC2 ZINC000638157046 451327282 /nfs/dbraw/zinc/32/72/82/451327282.db2.gz VUNAVMRDCKORGA-TZMCWYRMSA-N 2 2 325.416 1.604 20 0 EDADLP COC[C@]1(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CCC[NH2+]1 ZINC000638234185 451373139 /nfs/dbraw/zinc/37/31/39/451373139.db2.gz YYXQADWQGGKYFM-WCQYABFASA-N 2 2 334.342 1.261 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635975504 451410632 /nfs/dbraw/zinc/41/06/32/451410632.db2.gz QAUGSNOPRQLOEQ-OAHLLOKOSA-N 2 2 344.415 1.155 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1)CC2 ZINC000638328444 451435670 /nfs/dbraw/zinc/43/56/70/451435670.db2.gz HWVAVBMRGHXDFD-JKSUJKDBSA-N 2 2 325.416 1.322 20 0 EDADLP CN(C)c1cc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc[nH+]1 ZINC000640604122 451449782 /nfs/dbraw/zinc/44/97/82/451449782.db2.gz KPUNFXUSBZRMIV-JKSUJKDBSA-N 2 2 347.463 1.913 20 0 EDADLP COc1cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)sn1 ZINC000638352198 451452481 /nfs/dbraw/zinc/45/24/81/451452481.db2.gz MZRCNQYLEKXRSM-UHFFFAOYSA-N 2 2 348.476 1.244 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000638406153 451493897 /nfs/dbraw/zinc/49/38/97/451493897.db2.gz PBZKIQKMFZONRS-UHFFFAOYSA-N 2 2 340.489 1.285 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000636058083 451474239 /nfs/dbraw/zinc/47/42/39/451474239.db2.gz YMRONDQFABFKLS-UHFFFAOYSA-N 2 2 347.503 1.730 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000638384745 451477930 /nfs/dbraw/zinc/47/79/30/451477930.db2.gz YKRTUYFQMZBENK-UHFFFAOYSA-N 2 2 329.491 1.360 20 0 EDADLP C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000636092399 451510217 /nfs/dbraw/zinc/51/02/17/451510217.db2.gz TWQJKNBGZMSQDP-ROUUACIJSA-N 2 2 345.487 1.977 20 0 EDADLP Cc1cnc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)o1 ZINC000638440003 451518103 /nfs/dbraw/zinc/51/81/03/451518103.db2.gz HXWMMYHCUVAKHS-UHFFFAOYSA-N 2 2 331.416 1.984 20 0 EDADLP CO[C@H](C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000638463400 451528019 /nfs/dbraw/zinc/52/80/19/451528019.db2.gz UNFJWDVECFDSOG-IEBWSBKVSA-N 3 2 348.491 1.235 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631036148 451544176 /nfs/dbraw/zinc/54/41/76/451544176.db2.gz XDMKNXQVWVYPKS-UHFFFAOYSA-N 3 2 333.476 1.581 20 0 EDADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000632773865 451572062 /nfs/dbraw/zinc/57/20/62/451572062.db2.gz WTTXWZWFOZWWEG-LJQANCHMSA-N 2 2 342.443 1.330 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)nc(C(C)C)[nH+]1 ZINC000638583731 451589325 /nfs/dbraw/zinc/58/93/25/451589325.db2.gz DLLRNYNUVIGNSG-LSDHHAIUSA-N 2 2 331.464 1.967 20 0 EDADLP COc1cncc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1C ZINC000631097881 451581074 /nfs/dbraw/zinc/58/10/74/451581074.db2.gz HEXMFRUSVADALA-QGZVFWFLSA-N 2 2 341.459 2.546 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631172862 451624203 /nfs/dbraw/zinc/62/42/03/451624203.db2.gz SWBRVERBEOJQFJ-LBPRGKRZSA-N 2 2 345.896 1.950 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631172862 451624206 /nfs/dbraw/zinc/62/42/06/451624206.db2.gz SWBRVERBEOJQFJ-LBPRGKRZSA-N 2 2 345.896 1.950 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636987639 451663737 /nfs/dbraw/zinc/66/37/37/451663737.db2.gz QCBWZMIQDMYLMX-TTZDDIAXSA-N 2 2 326.485 1.124 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000637048063 451696323 /nfs/dbraw/zinc/69/63/23/451696323.db2.gz KLSDLKKQKKEMPF-QGZVFWFLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000637048063 451696327 /nfs/dbraw/zinc/69/63/27/451696327.db2.gz KLSDLKKQKKEMPF-QGZVFWFLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000637048063 451696328 /nfs/dbraw/zinc/69/63/28/451696328.db2.gz KLSDLKKQKKEMPF-QGZVFWFLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000637048063 451696331 /nfs/dbraw/zinc/69/63/31/451696331.db2.gz KLSDLKKQKKEMPF-QGZVFWFLSA-N 2 2 333.476 1.734 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3nc(C4CC4)no3)CC2)CC1 ZINC000631340027 451702170 /nfs/dbraw/zinc/70/21/70/451702170.db2.gz KRPOVCIDBFXBEK-UHFFFAOYSA-N 2 2 333.436 1.235 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638726956 451667383 /nfs/dbraw/zinc/66/73/83/451667383.db2.gz YUJZRTAZXVHMKC-UHFFFAOYSA-N 3 2 341.540 1.701 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(F)F ZINC000641014229 451729794 /nfs/dbraw/zinc/72/97/94/451729794.db2.gz LFIDCQPTAUOKKA-HABKJSAYSA-N 2 2 330.423 1.592 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(F)F ZINC000641014229 451729796 /nfs/dbraw/zinc/72/97/96/451729796.db2.gz LFIDCQPTAUOKKA-HABKJSAYSA-N 2 2 330.423 1.592 20 0 EDADLP C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638921504 451736366 /nfs/dbraw/zinc/73/63/66/451736366.db2.gz NFAVUZICCCPHDB-IEBWSBKVSA-N 2 2 348.487 1.990 20 0 EDADLP C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000638921504 451736368 /nfs/dbraw/zinc/73/63/68/451736368.db2.gz NFAVUZICCCPHDB-IEBWSBKVSA-N 2 2 348.487 1.990 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cccc(F)c2N)C1=O ZINC000638979809 451744892 /nfs/dbraw/zinc/74/48/92/451744892.db2.gz IRWHXACSLMEJGU-CQSZACIVSA-N 2 2 331.395 1.422 20 0 EDADLP CN(C)c1ccnc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638984819 451746164 /nfs/dbraw/zinc/74/61/64/451746164.db2.gz SKPFPGXHQDEAHG-UHFFFAOYSA-N 2 2 326.404 1.205 20 0 EDADLP [NH3+]CCc1ccccc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985498 451746809 /nfs/dbraw/zinc/74/68/09/451746809.db2.gz IKLBBKFIFYKISW-UHFFFAOYSA-N 3 2 325.416 1.245 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986569 451747060 /nfs/dbraw/zinc/74/70/60/451747060.db2.gz UIFPGXNYWGHSDH-UHFFFAOYSA-N 3 2 336.399 1.320 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000638991163 451748892 /nfs/dbraw/zinc/74/88/92/451748892.db2.gz VVGLJMQVHHORAG-OAHLLOKOSA-N 2 2 346.500 1.641 20 0 EDADLP CC[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000639059896 451759636 /nfs/dbraw/zinc/75/96/36/451759636.db2.gz JURNSHVKICFCMI-INIZCTEOSA-N 2 2 326.448 1.398 20 0 EDADLP CC[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000639059896 451759637 /nfs/dbraw/zinc/75/96/37/451759637.db2.gz JURNSHVKICFCMI-INIZCTEOSA-N 2 2 326.448 1.398 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000641164888 451766682 /nfs/dbraw/zinc/76/66/82/451766682.db2.gz UASCKNWSJHCESD-UHFFFAOYSA-N 2 2 339.447 1.601 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4o3)CC2)CC1 ZINC000639170253 451784586 /nfs/dbraw/zinc/78/45/86/451784586.db2.gz ZTHDOYUBBHSHDD-UHFFFAOYSA-N 2 2 342.443 1.814 20 0 EDADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(S(N)(=O)=O)cc1F ZINC000639175627 451786328 /nfs/dbraw/zinc/78/63/28/451786328.db2.gz NWZSBNWHJQYFNG-UHFFFAOYSA-N 2 2 343.468 1.781 20 0 EDADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(S(N)(=O)=O)cc1F ZINC000639175627 451786330 /nfs/dbraw/zinc/78/63/30/451786330.db2.gz NWZSBNWHJQYFNG-UHFFFAOYSA-N 2 2 343.468 1.781 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2nc(-c3ccccn3)n[nH]2)CC1 ZINC000639239439 451797339 /nfs/dbraw/zinc/79/73/39/451797339.db2.gz WHPSJQNLPMCUOQ-UHFFFAOYSA-N 2 2 330.436 1.192 20 0 EDADLP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)CC2 ZINC000639287489 451807556 /nfs/dbraw/zinc/80/75/56/451807556.db2.gz DBHRNFQTRGDHGP-INIZCTEOSA-N 2 2 347.459 1.397 20 0 EDADLP COc1cc2c(cc1OC)[C@@H]([N@H+]1CCN(CC[NH+](C)C)C(=O)C1)CC2 ZINC000639287489 451807564 /nfs/dbraw/zinc/80/75/64/451807564.db2.gz DBHRNFQTRGDHGP-INIZCTEOSA-N 2 2 347.459 1.397 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H](C)[C@H]1O ZINC000639314417 451823548 /nfs/dbraw/zinc/82/35/48/451823548.db2.gz KCCCXGXCSXWITQ-YRWFTTLQSA-N 2 2 348.487 1.846 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H](C)[C@H]1O ZINC000639314417 451823554 /nfs/dbraw/zinc/82/35/54/451823554.db2.gz KCCCXGXCSXWITQ-YRWFTTLQSA-N 2 2 348.487 1.846 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000639318944 451825094 /nfs/dbraw/zinc/82/50/94/451825094.db2.gz VXORCFWZMVOJGA-HNNXBMFYSA-N 2 2 345.553 1.947 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1CO ZINC000639337465 451834671 /nfs/dbraw/zinc/83/46/71/451834671.db2.gz CDNKUGSUIIKZOT-MJGOQNOKSA-N 2 2 348.487 1.848 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1CO ZINC000639337465 451834675 /nfs/dbraw/zinc/83/46/75/451834675.db2.gz CDNKUGSUIIKZOT-MJGOQNOKSA-N 2 2 348.487 1.848 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644519882 451838138 /nfs/dbraw/zinc/83/81/38/451838138.db2.gz STKZIRNCABQGRD-FUHWJXTLSA-N 2 2 328.460 1.880 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644519882 451838141 /nfs/dbraw/zinc/83/81/41/451838141.db2.gz STKZIRNCABQGRD-FUHWJXTLSA-N 2 2 328.460 1.880 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)c1ccc(F)cc1 ZINC000637439783 451855226 /nfs/dbraw/zinc/85/52/26/451855226.db2.gz BVTRDHAJUQTANF-HOTGVXAUSA-N 2 2 338.427 1.058 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)c1ccc(F)cc1 ZINC000637439783 451855234 /nfs/dbraw/zinc/85/52/34/451855234.db2.gz BVTRDHAJUQTANF-HOTGVXAUSA-N 2 2 338.427 1.058 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000646833708 451872090 /nfs/dbraw/zinc/87/20/90/451872090.db2.gz BZMLMYAPWPYHPH-NEPJUHHUSA-N 2 2 329.366 1.910 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1C(F)(F)F ZINC000646833708 451872093 /nfs/dbraw/zinc/87/20/93/451872093.db2.gz BZMLMYAPWPYHPH-NEPJUHHUSA-N 2 2 329.366 1.910 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c(OC)n1 ZINC000644651405 451917672 /nfs/dbraw/zinc/91/76/72/451917672.db2.gz CGAANVGNMDHPBY-KRWDZBQOSA-N 2 2 345.443 1.681 20 0 EDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c(OC)n1 ZINC000644651405 451917680 /nfs/dbraw/zinc/91/76/80/451917680.db2.gz CGAANVGNMDHPBY-KRWDZBQOSA-N 2 2 345.443 1.681 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000639567214 451949502 /nfs/dbraw/zinc/94/95/02/451949502.db2.gz NOMSZQNFNABHKH-UHFFFAOYSA-N 2 2 345.422 1.358 20 0 EDADLP O=C([C@H]1C[NH2+]CCOC1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000649278745 451949626 /nfs/dbraw/zinc/94/96/26/451949626.db2.gz ZCTWKJVHLUBFRJ-HNNXBMFYSA-N 2 2 337.851 1.220 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639554131 451941439 /nfs/dbraw/zinc/94/14/39/451941439.db2.gz KFIRILHCTMGWET-LJQANCHMSA-N 2 2 348.535 1.630 20 0 EDADLP CC(C)C(=O)NCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639555997 451944024 /nfs/dbraw/zinc/94/40/24/451944024.db2.gz YMKADGVSVIHUMT-LJQANCHMSA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)C(=O)NCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639555997 451944028 /nfs/dbraw/zinc/94/40/28/451944028.db2.gz YMKADGVSVIHUMT-LJQANCHMSA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)C(=O)NCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639555997 451944034 /nfs/dbraw/zinc/94/40/34/451944034.db2.gz YMKADGVSVIHUMT-LJQANCHMSA-N 2 2 333.476 1.327 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])[NH+]2CCOCC2)c1 ZINC000649292637 451969204 /nfs/dbraw/zinc/96/92/04/451969204.db2.gz VAIVPCQRORFDJP-OTWHNJEPSA-N 2 2 345.487 1.860 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1C[NH2+]CCC1(F)F ZINC000649307326 451985279 /nfs/dbraw/zinc/98/52/79/451985279.db2.gz HFISVCNQKMISOI-GFCCVEGCSA-N 2 2 338.333 1.872 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3[NH2+]CC3(C)C)CCCC2)no1 ZINC000649308090 451985504 /nfs/dbraw/zinc/98/55/04/451985504.db2.gz JMFCUXCRHQAIJC-AWEZNQCLSA-N 2 2 349.479 1.795 20 0 EDADLP CC(C)([NH3+])CCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000649330220 452011271 /nfs/dbraw/zinc/01/12/71/452011271.db2.gz FSPSWHTUBKQRMA-QGZVFWFLSA-N 2 2 333.476 1.564 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649337345 452017722 /nfs/dbraw/zinc/01/77/22/452017722.db2.gz CIOBNJKVNNUZPC-MRXNPFEDSA-N 2 2 333.432 1.002 20 0 EDADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000637688519 452019883 /nfs/dbraw/zinc/01/98/83/452019883.db2.gz SGYNBJKIWVBWOJ-MRXNPFEDSA-N 2 2 334.464 1.898 20 0 EDADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000637688519 452019889 /nfs/dbraw/zinc/01/98/89/452019889.db2.gz SGYNBJKIWVBWOJ-MRXNPFEDSA-N 2 2 334.464 1.898 20 0 EDADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682362 452020490 /nfs/dbraw/zinc/02/04/90/452020490.db2.gz UWYOSWUUXZXJOQ-LBPRGKRZSA-N 2 2 330.354 1.661 20 0 EDADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682362 452020493 /nfs/dbraw/zinc/02/04/93/452020493.db2.gz UWYOSWUUXZXJOQ-LBPRGKRZSA-N 2 2 330.354 1.661 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641493048 452025063 /nfs/dbraw/zinc/02/50/63/452025063.db2.gz AONRNTTZJKEUQE-UHFFFAOYSA-N 2 2 340.449 1.260 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641493048 452025067 /nfs/dbraw/zinc/02/50/67/452025067.db2.gz AONRNTTZJKEUQE-UHFFFAOYSA-N 2 2 340.449 1.260 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)CCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000649348899 452031482 /nfs/dbraw/zinc/03/14/82/452031482.db2.gz DOGQYGGESPXBDH-CQSZACIVSA-N 2 2 338.521 1.670 20 0 EDADLP c1nnn(-c2ccccc2)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000651719150 452035351 /nfs/dbraw/zinc/03/53/51/452035351.db2.gz KITRKJUMANNPNI-MRXNPFEDSA-N 2 2 341.459 1.858 20 0 EDADLP COc1cc(NC(=O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC000644905032 452063245 /nfs/dbraw/zinc/06/32/45/452063245.db2.gz XLYGARBBYRPYNF-ZFWWWQNUSA-N 2 2 333.432 1.859 20 0 EDADLP COc1cc(NC(=O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1 ZINC000644905032 452063248 /nfs/dbraw/zinc/06/32/48/452063248.db2.gz XLYGARBBYRPYNF-ZFWWWQNUSA-N 2 2 333.432 1.859 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000649416829 452080383 /nfs/dbraw/zinc/08/03/83/452080383.db2.gz NACTXFMTKPIXPS-RTBURBONSA-N 3 2 344.503 1.390 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000649416829 452080388 /nfs/dbraw/zinc/08/03/88/452080388.db2.gz NACTXFMTKPIXPS-RTBURBONSA-N 3 2 344.503 1.390 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639762477 452102358 /nfs/dbraw/zinc/10/23/58/452102358.db2.gz LKLZRZGSWAKPSY-GPMSIDNRSA-N 2 2 333.476 1.641 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639762477 452102364 /nfs/dbraw/zinc/10/23/64/452102364.db2.gz LKLZRZGSWAKPSY-GPMSIDNRSA-N 2 2 333.476 1.641 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639767637 452110111 /nfs/dbraw/zinc/11/01/11/452110111.db2.gz VRSJTDAZXBOBQE-IEBWSBKVSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639767637 452110120 /nfs/dbraw/zinc/11/01/20/452110120.db2.gz VRSJTDAZXBOBQE-IEBWSBKVSA-N 2 2 336.476 1.432 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000649498217 452111225 /nfs/dbraw/zinc/11/12/25/452111225.db2.gz DJANMSYJMVOOEB-AEFFLSMTSA-N 2 2 341.459 1.840 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000649498217 452111227 /nfs/dbraw/zinc/11/12/27/452111227.db2.gz DJANMSYJMVOOEB-AEFFLSMTSA-N 2 2 341.459 1.840 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000639769359 452111641 /nfs/dbraw/zinc/11/16/41/452111641.db2.gz XYUWKNWSQWDMHE-QGZVFWFLSA-N 2 2 349.866 1.809 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000639769359 452111647 /nfs/dbraw/zinc/11/16/47/452111647.db2.gz XYUWKNWSQWDMHE-QGZVFWFLSA-N 2 2 349.866 1.809 20 0 EDADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)C(C)(C)C ZINC000647183531 452112818 /nfs/dbraw/zinc/11/28/18/452112818.db2.gz AJFDKPMLQXLTPY-HNNXBMFYSA-N 2 2 345.484 1.929 20 0 EDADLP CCC[NH+]1CCC(Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)CC1 ZINC000643325217 452133124 /nfs/dbraw/zinc/13/31/24/452133124.db2.gz ULNXSOJUMRMUJY-UHFFFAOYSA-N 2 2 330.476 1.905 20 0 EDADLP CCC[NH+]1CCC(Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)CC1 ZINC000643325217 452133133 /nfs/dbraw/zinc/13/31/33/452133133.db2.gz ULNXSOJUMRMUJY-UHFFFAOYSA-N 2 2 330.476 1.905 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000649546848 452138983 /nfs/dbraw/zinc/13/89/83/452138983.db2.gz BVNMPDBNOWZQHC-FZMZJTMJSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000649546848 452138989 /nfs/dbraw/zinc/13/89/89/452138989.db2.gz BVNMPDBNOWZQHC-FZMZJTMJSA-N 2 2 345.896 1.902 20 0 EDADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)[C@@]1(O)CCOC1 ZINC000647247395 452144159 /nfs/dbraw/zinc/14/41/59/452144159.db2.gz LCRJGGLBAYMLIU-LJQANCHMSA-N 2 2 333.476 1.813 20 0 EDADLP Nc1nc(NCc2cc[nH+]c(N3CCOCC3)c2)c2c([nH+]1)CCCC2 ZINC000645116154 452161460 /nfs/dbraw/zinc/16/14/60/452161460.db2.gz KNEQCVURYYBSMQ-UHFFFAOYSA-N 2 2 340.431 1.203 20 0 EDADLP CN1CC[NH+]([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000645183297 452199334 /nfs/dbraw/zinc/19/93/34/452199334.db2.gz UDSFIHVUCSJQQK-CABCVRRESA-N 2 2 336.505 1.152 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000639899017 452224876 /nfs/dbraw/zinc/22/48/76/452224876.db2.gz ARACQRPGYGFWIB-HNNXBMFYSA-N 2 2 332.448 1.919 20 0 EDADLP c1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480641 452226338 /nfs/dbraw/zinc/22/63/38/452226338.db2.gz WDRIMLQQOAXWLX-GOEBONIOSA-N 2 2 336.505 1.944 20 0 EDADLP c1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480641 452226344 /nfs/dbraw/zinc/22/63/44/452226344.db2.gz WDRIMLQQOAXWLX-GOEBONIOSA-N 2 2 336.505 1.944 20 0 EDADLP CCC1(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC000641787218 452259909 /nfs/dbraw/zinc/25/99/09/452259909.db2.gz RRSDFPOSZKSSEH-GOSISDBHSA-N 2 2 339.524 1.579 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000638018217 452261467 /nfs/dbraw/zinc/26/14/67/452261467.db2.gz NDNZTMJKDBSCLT-LLVKDONJSA-N 2 2 326.447 1.429 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000638018217 452261474 /nfs/dbraw/zinc/26/14/74/452261474.db2.gz NDNZTMJKDBSCLT-LLVKDONJSA-N 2 2 326.447 1.429 20 0 EDADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000641788021 452262723 /nfs/dbraw/zinc/26/27/23/452262723.db2.gz XGMOZWMADRLMPP-FHWLQOOXSA-N 2 2 339.524 1.576 20 0 EDADLP FCC1(CF)CC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000641788310 452263264 /nfs/dbraw/zinc/26/32/64/452263264.db2.gz YAHXVVSBVPWSBJ-OAHLLOKOSA-N 2 2 331.451 1.460 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657479323 452272998 /nfs/dbraw/zinc/27/29/98/452272998.db2.gz BMWWXVVHBAOFSA-HKUYNNGSSA-N 2 2 334.460 1.791 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657479323 452273003 /nfs/dbraw/zinc/27/30/03/452273003.db2.gz BMWWXVVHBAOFSA-HKUYNNGSSA-N 2 2 334.460 1.791 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000659430320 452275271 /nfs/dbraw/zinc/27/52/71/452275271.db2.gz WCMDVEHMMKZZAU-KFWWJZLASA-N 2 2 349.385 1.729 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659436098 452284365 /nfs/dbraw/zinc/28/43/65/452284365.db2.gz OVVDCVNNXGGTPS-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCN3C(C)(C)C)cn2)CC1 ZINC000657522520 452307069 /nfs/dbraw/zinc/30/70/69/452307069.db2.gz BWEAEEAXKARRFO-MRXNPFEDSA-N 2 2 332.496 1.191 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CC[N@@H+]3C(C)(C)C)cn2)CC1 ZINC000657522520 452307078 /nfs/dbraw/zinc/30/70/78/452307078.db2.gz BWEAEEAXKARRFO-MRXNPFEDSA-N 3 2 332.496 1.191 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CC[N@H+]3C(C)(C)C)cn2)CC1 ZINC000657522520 452307084 /nfs/dbraw/zinc/30/70/84/452307084.db2.gz BWEAEEAXKARRFO-MRXNPFEDSA-N 3 2 332.496 1.191 20 0 EDADLP C[NH+]1CCC(CNc2cc[nH+]c(C(C)(C)C)n2)(N2CCOCC2)CC1 ZINC000665743802 452313260 /nfs/dbraw/zinc/31/32/60/452313260.db2.gz HGISOXUTAVCPLB-UHFFFAOYSA-N 2 2 347.507 1.983 20 0 EDADLP CN(CC(C)(C)[NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000659462154 452316338 /nfs/dbraw/zinc/31/63/38/452316338.db2.gz UNDGVVMYCONBAC-UHFFFAOYSA-N 3 2 339.528 1.315 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000638048429 452317748 /nfs/dbraw/zinc/31/77/48/452317748.db2.gz DAOWLCUVLRLRFH-AWEZNQCLSA-N 2 2 335.448 1.346 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCc2ccc(C[NH3+])cc2F)CCO1 ZINC000652143531 452336188 /nfs/dbraw/zinc/33/61/88/452336188.db2.gz BXHQZCLTGOGRFU-UHFFFAOYSA-N 2 2 338.427 1.194 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCc2ccc(C[NH3+])cc2F)CCO1 ZINC000652143531 452336193 /nfs/dbraw/zinc/33/61/93/452336193.db2.gz BXHQZCLTGOGRFU-UHFFFAOYSA-N 2 2 338.427 1.194 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)c[nH+]2)C[C@H](C)O1 ZINC000638061904 452354335 /nfs/dbraw/zinc/35/43/35/452354335.db2.gz NDVCYNIOSRBIPA-ZENOOKHLSA-N 2 2 330.432 1.359 20 0 EDADLP Cc1nccc(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000645407591 452377696 /nfs/dbraw/zinc/37/76/96/452377696.db2.gz HFSQLJFXRPWRKX-MRXNPFEDSA-N 2 2 331.464 1.002 20 0 EDADLP Cc1nccc(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000645407591 452377709 /nfs/dbraw/zinc/37/77/09/452377709.db2.gz HFSQLJFXRPWRKX-MRXNPFEDSA-N 2 2 331.464 1.002 20 0 EDADLP C[C@H](CNC(=O)c1cnc(C[NH3+])nc1)[N@@H+]1CCc2sccc2C1 ZINC000638073439 452382535 /nfs/dbraw/zinc/38/25/35/452382535.db2.gz YZAYRUPZIRJZCT-LLVKDONJSA-N 2 2 331.445 1.173 20 0 EDADLP C[C@H](CNC(=O)c1cnc(C[NH3+])nc1)[N@H+]1CCc2sccc2C1 ZINC000638073439 452382546 /nfs/dbraw/zinc/38/25/46/452382546.db2.gz YZAYRUPZIRJZCT-LLVKDONJSA-N 2 2 331.445 1.173 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(-n2cccn2)c1 ZINC000640051769 452394558 /nfs/dbraw/zinc/39/45/58/452394558.db2.gz ZKWRTNSTKGWBLR-UHFFFAOYSA-N 2 2 327.432 1.078 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(-n2cccn2)c1 ZINC000640051769 452394564 /nfs/dbraw/zinc/39/45/64/452394564.db2.gz ZKWRTNSTKGWBLR-UHFFFAOYSA-N 2 2 327.432 1.078 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000665821498 452399604 /nfs/dbraw/zinc/39/96/04/452399604.db2.gz NWVBNTHKCVUPGN-UHFFFAOYSA-N 2 2 343.431 1.948 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000665821498 452399616 /nfs/dbraw/zinc/39/96/16/452399616.db2.gz NWVBNTHKCVUPGN-UHFFFAOYSA-N 2 2 343.431 1.948 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(F)cc2cccnc21 ZINC000640059583 452401636 /nfs/dbraw/zinc/40/16/36/452401636.db2.gz QXVUBRJIECKAKG-UHFFFAOYSA-N 2 2 330.407 1.580 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(F)cc2cccnc21 ZINC000640059583 452401645 /nfs/dbraw/zinc/40/16/45/452401645.db2.gz QXVUBRJIECKAKG-UHFFFAOYSA-N 2 2 330.407 1.580 20 0 EDADLP CC1(O)CCN(c2cc(N3CC[C@@H]([NH+]4CC=CC4)C3)nc[nH+]2)CC1 ZINC000663665855 452405408 /nfs/dbraw/zinc/40/54/08/452405408.db2.gz OTRGGHGLVLBNIP-OAHLLOKOSA-N 2 2 329.448 1.278 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)C1 ZINC000663673114 452410311 /nfs/dbraw/zinc/41/03/11/452410311.db2.gz FIBOWMPWIHQOEZ-LBPRGKRZSA-N 2 2 331.468 1.942 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)C1 ZINC000663673114 452410314 /nfs/dbraw/zinc/41/03/14/452410314.db2.gz FIBOWMPWIHQOEZ-LBPRGKRZSA-N 2 2 331.468 1.942 20 0 EDADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000663705583 452444408 /nfs/dbraw/zinc/44/44/08/452444408.db2.gz XUVRKSFWRXEYBZ-ZIAGYGMSSA-N 2 2 331.464 1.865 20 0 EDADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[N@H+]1C1CC1 ZINC000663705583 452444416 /nfs/dbraw/zinc/44/44/16/452444416.db2.gz XUVRKSFWRXEYBZ-ZIAGYGMSSA-N 2 2 331.464 1.865 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654403574 452456814 /nfs/dbraw/zinc/45/68/14/452456814.db2.gz UCBZTEBIWYYLFH-UHFFFAOYSA-N 2 2 345.487 1.990 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000663735360 452468416 /nfs/dbraw/zinc/46/84/16/452468416.db2.gz VBUIZTMKUICUTJ-CABCVRRESA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000663735360 452468425 /nfs/dbraw/zinc/46/84/25/452468425.db2.gz VBUIZTMKUICUTJ-CABCVRRESA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](Cc1ccccn1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654445473 452508282 /nfs/dbraw/zinc/50/82/82/452508282.db2.gz SFDMBJGAXNNRRX-DOTOQJQBSA-N 2 2 345.491 1.480 20 0 EDADLP C[C@@H](Cc1ccccn1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654445473 452508289 /nfs/dbraw/zinc/50/82/89/452508289.db2.gz SFDMBJGAXNNRRX-DOTOQJQBSA-N 2 2 345.491 1.480 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCN1Cc1ccccc1 ZINC000655724278 452537456 /nfs/dbraw/zinc/53/74/56/452537456.db2.gz AUXRWEBCBKUMAF-RTBURBONSA-N 2 2 343.471 1.630 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@H]1C[NH3+] ZINC000652358193 452538601 /nfs/dbraw/zinc/53/86/01/452538601.db2.gz KMJFNNCSNOLBRP-NQBHXWOUSA-N 2 2 326.828 1.358 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)C[C@H]1C[NH3+] ZINC000652358193 452538608 /nfs/dbraw/zinc/53/86/08/452538608.db2.gz KMJFNNCSNOLBRP-NQBHXWOUSA-N 2 2 326.828 1.358 20 0 EDADLP CC[C@@](C)(CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370592 452556606 /nfs/dbraw/zinc/55/66/06/452556606.db2.gz FUDBHVACTWRNRN-YOEHRIQHSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@](C)(CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370592 452556617 /nfs/dbraw/zinc/55/66/17/452556617.db2.gz FUDBHVACTWRNRN-YOEHRIQHSA-N 2 2 326.485 1.269 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1csc(Nc2ccccc2)n1 ZINC000647835720 452572930 /nfs/dbraw/zinc/57/29/30/452572930.db2.gz KNEKEZKQYPPZKN-UHFFFAOYSA-N 2 2 331.489 2.224 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1csc(Nc2ccccc2)n1 ZINC000647835720 452572937 /nfs/dbraw/zinc/57/29/37/452572937.db2.gz KNEKEZKQYPPZKN-UHFFFAOYSA-N 2 2 331.489 2.224 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000650187156 452583210 /nfs/dbraw/zinc/58/32/10/452583210.db2.gz USQKUGKWPBLEQI-LZLYRXPVSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000650187156 452583218 /nfs/dbraw/zinc/58/32/18/452583218.db2.gz USQKUGKWPBLEQI-LZLYRXPVSA-N 2 2 331.460 1.347 20 0 EDADLP O[C@@]1(C[NH2+][C@H]2CCCn3nccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000657887575 452594416 /nfs/dbraw/zinc/59/44/16/452594416.db2.gz NDYVRLVDDNTWCX-PKOBYXMFSA-N 2 2 326.444 1.945 20 0 EDADLP O[C@@]1(C[NH2+][C@H]2CCCn3nccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000657887575 452594424 /nfs/dbraw/zinc/59/44/24/452594424.db2.gz NDYVRLVDDNTWCX-PKOBYXMFSA-N 2 2 326.444 1.945 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647937399 452679492 /nfs/dbraw/zinc/67/94/92/452679492.db2.gz XQFPCFHWIZNFSN-ZWKOTPCHSA-N 2 2 333.476 1.899 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647937399 452679502 /nfs/dbraw/zinc/67/95/02/452679502.db2.gz XQFPCFHWIZNFSN-ZWKOTPCHSA-N 2 2 333.476 1.899 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2cc(OC)ccc2OC)CC[C@H]1[NH3+] ZINC000647937954 452680440 /nfs/dbraw/zinc/68/04/40/452680440.db2.gz FNXPLWGQEQZESN-CKEIUWERSA-N 2 2 349.475 1.940 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2cc(OC)ccc2OC)CC[C@H]1[NH3+] ZINC000647937954 452680449 /nfs/dbraw/zinc/68/04/49/452680449.db2.gz FNXPLWGQEQZESN-CKEIUWERSA-N 2 2 349.475 1.940 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968294 452713168 /nfs/dbraw/zinc/71/31/68/452713168.db2.gz ZZGIVFRYQHMIHH-UKRRQHHQSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968294 452713174 /nfs/dbraw/zinc/71/31/74/452713174.db2.gz ZZGIVFRYQHMIHH-UKRRQHHQSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968294 452713178 /nfs/dbraw/zinc/71/31/78/452713178.db2.gz ZZGIVFRYQHMIHH-UKRRQHHQSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968294 452713179 /nfs/dbraw/zinc/71/31/79/452713179.db2.gz ZZGIVFRYQHMIHH-UKRRQHHQSA-N 2 2 343.493 1.028 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC2(C[NH+]3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971191 452715771 /nfs/dbraw/zinc/71/57/71/452715771.db2.gz YAWHUVLZFTWRAB-KDURUIRLSA-N 4 2 336.568 1.924 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC2(C[NH+]3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971191 452715777 /nfs/dbraw/zinc/71/57/77/452715777.db2.gz YAWHUVLZFTWRAB-KDURUIRLSA-N 4 2 336.568 1.924 20 0 EDADLP C[NH+](C)C[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971191 452715786 /nfs/dbraw/zinc/71/57/86/452715786.db2.gz YAWHUVLZFTWRAB-KDURUIRLSA-N 4 2 336.568 1.924 20 0 EDADLP C[NH+](C)C[C@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971191 452715796 /nfs/dbraw/zinc/71/57/96/452715796.db2.gz YAWHUVLZFTWRAB-KDURUIRLSA-N 4 2 336.568 1.924 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000652523386 452723372 /nfs/dbraw/zinc/72/33/72/452723372.db2.gz OGBIPPQLKHECJF-QGZVFWFLSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000652523386 452723377 /nfs/dbraw/zinc/72/33/77/452723377.db2.gz OGBIPPQLKHECJF-QGZVFWFLSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[NH+](C)CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000652523386 452723384 /nfs/dbraw/zinc/72/33/84/452723384.db2.gz OGBIPPQLKHECJF-QGZVFWFLSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[NH+](C)CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000652523386 452723394 /nfs/dbraw/zinc/72/33/94/452723394.db2.gz OGBIPPQLKHECJF-QGZVFWFLSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000658123391 452737816 /nfs/dbraw/zinc/73/78/16/452737816.db2.gz ZVALDUDZXKJDTJ-ZDUSSCGKSA-N 2 2 343.431 1.509 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000658123391 452737818 /nfs/dbraw/zinc/73/78/18/452737818.db2.gz ZVALDUDZXKJDTJ-ZDUSSCGKSA-N 2 2 343.431 1.509 20 0 EDADLP Cc1occc1C(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659874843 452751544 /nfs/dbraw/zinc/75/15/44/452751544.db2.gz SIZVQDPZQPFCDH-MRXNPFEDSA-N 2 2 337.464 1.483 20 0 EDADLP Cc1occc1C(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659874843 452751552 /nfs/dbraw/zinc/75/15/52/452751552.db2.gz SIZVQDPZQPFCDH-MRXNPFEDSA-N 2 2 337.464 1.483 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000659919253 452810911 /nfs/dbraw/zinc/81/09/11/452810911.db2.gz FCQNKWMIEXAOQJ-MRXNPFEDSA-N 2 2 331.464 1.610 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000659919253 452810917 /nfs/dbraw/zinc/81/09/17/452810917.db2.gz FCQNKWMIEXAOQJ-MRXNPFEDSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658343488 452855948 /nfs/dbraw/zinc/85/59/48/452855948.db2.gz LNGFFBABRVDTGS-AEFFLSMTSA-N 2 2 332.492 1.259 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658343488 452855961 /nfs/dbraw/zinc/85/59/61/452855961.db2.gz LNGFFBABRVDTGS-AEFFLSMTSA-N 2 2 332.492 1.259 20 0 EDADLP CC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1nccs1 ZINC000664188708 452859032 /nfs/dbraw/zinc/85/90/32/452859032.db2.gz SGJOLCSKNOCYHL-ZDUSSCGKSA-N 2 2 327.498 1.777 20 0 EDADLP CC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1nccs1 ZINC000664188708 452859040 /nfs/dbraw/zinc/85/90/40/452859040.db2.gz SGJOLCSKNOCYHL-ZDUSSCGKSA-N 2 2 327.498 1.777 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000648152655 452862783 /nfs/dbraw/zinc/86/27/83/452862783.db2.gz RHDLRLGKVWMALA-MRXNPFEDSA-N 2 2 347.850 1.418 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654738370 452866863 /nfs/dbraw/zinc/86/68/63/452866863.db2.gz NZFABIHLXYITHZ-VVLHAWIVSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654738370 452866871 /nfs/dbraw/zinc/86/68/71/452866871.db2.gz NZFABIHLXYITHZ-VVLHAWIVSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654738370 452866881 /nfs/dbraw/zinc/86/68/81/452866881.db2.gz NZFABIHLXYITHZ-VVLHAWIVSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654738370 452866893 /nfs/dbraw/zinc/86/68/93/452866893.db2.gz NZFABIHLXYITHZ-VVLHAWIVSA-N 2 2 336.480 1.166 20 0 EDADLP C[C@@H]1SCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645918115 452898500 /nfs/dbraw/zinc/89/85/00/452898500.db2.gz JUWZPOBRSCDYHH-NUEKZKHPSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]1SCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645918115 452898510 /nfs/dbraw/zinc/89/85/10/452898510.db2.gz JUWZPOBRSCDYHH-NUEKZKHPSA-N 2 2 340.537 1.690 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000664234751 452909612 /nfs/dbraw/zinc/90/96/12/452909612.db2.gz AFUKQYNGKHWMMO-CQSZACIVSA-N 2 2 329.404 1.246 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000664234751 452909621 /nfs/dbraw/zinc/90/96/21/452909621.db2.gz AFUKQYNGKHWMMO-CQSZACIVSA-N 2 2 329.404 1.246 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000664234751 452909631 /nfs/dbraw/zinc/90/96/31/452909631.db2.gz AFUKQYNGKHWMMO-CQSZACIVSA-N 2 2 329.404 1.246 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662217337 452945213 /nfs/dbraw/zinc/94/52/13/452945213.db2.gz YKMHXEDTMHEAPB-GOSISDBHSA-N 2 2 346.471 1.866 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662217337 452945219 /nfs/dbraw/zinc/94/52/19/452945219.db2.gz YKMHXEDTMHEAPB-GOSISDBHSA-N 2 2 346.471 1.866 20 0 EDADLP Cc1c(F)cccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658428608 452957338 /nfs/dbraw/zinc/95/73/38/452957338.db2.gz WETDNRJOGFZPQD-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1c(F)cccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658428608 452957342 /nfs/dbraw/zinc/95/73/42/452957342.db2.gz WETDNRJOGFZPQD-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP C[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211258 452964069 /nfs/dbraw/zinc/96/40/69/452964069.db2.gz QWVHIKMLROFVQL-KFWWJZLASA-N 2 2 335.452 1.223 20 0 EDADLP C[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211258 452964076 /nfs/dbraw/zinc/96/40/76/452964076.db2.gz QWVHIKMLROFVQL-KFWWJZLASA-N 2 2 335.452 1.223 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977734 452965634 /nfs/dbraw/zinc/96/56/34/452965634.db2.gz KDZPULNYZFYTKA-APWZRJJASA-N 3 2 342.487 1.158 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977734 452965641 /nfs/dbraw/zinc/96/56/41/452965641.db2.gz KDZPULNYZFYTKA-APWZRJJASA-N 3 2 342.487 1.158 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000650755850 452972949 /nfs/dbraw/zinc/97/29/49/452972949.db2.gz OGXTXQSHXQOCTJ-AEFFLSMTSA-N 2 2 347.528 1.809 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000650755850 452972955 /nfs/dbraw/zinc/97/29/55/452972955.db2.gz OGXTXQSHXQOCTJ-AEFFLSMTSA-N 2 2 347.528 1.809 20 0 EDADLP O=C(CC1CCCCC1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662257421 452984457 /nfs/dbraw/zinc/98/44/57/452984457.db2.gz OFEJNKFBPUUCAW-KRWDZBQOSA-N 2 2 335.492 1.622 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000654901079 453022562 /nfs/dbraw/zinc/02/25/62/453022562.db2.gz XIWAZTQHSPXUKH-QGZVFWFLSA-N 2 2 327.432 1.536 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000654901079 453022572 /nfs/dbraw/zinc/02/25/72/453022572.db2.gz XIWAZTQHSPXUKH-QGZVFWFLSA-N 2 2 327.432 1.536 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318598 453036137 /nfs/dbraw/zinc/03/61/37/453036137.db2.gz CHVLMPYCYQFWBZ-MSOLQXFVSA-N 2 2 333.476 1.859 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318598 453036141 /nfs/dbraw/zinc/03/61/41/453036141.db2.gz CHVLMPYCYQFWBZ-MSOLQXFVSA-N 2 2 333.476 1.859 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319422 453036400 /nfs/dbraw/zinc/03/64/00/453036400.db2.gz MXWFTIZCOUFXGF-IXDOHACOSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319422 453036401 /nfs/dbraw/zinc/03/64/01/453036401.db2.gz MXWFTIZCOUFXGF-IXDOHACOSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662387180 453096877 /nfs/dbraw/zinc/09/68/77/453096877.db2.gz IWHONQOJBNCQPJ-RHSMWYFYSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC[C@@H]2C)CC1 ZINC000646141430 453150141 /nfs/dbraw/zinc/15/01/41/453150141.db2.gz YDKAZTFKTIICNW-SCTDSRPQSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)CC[C@@H]2C)CC1 ZINC000646141430 453150147 /nfs/dbraw/zinc/15/01/47/453150147.db2.gz YDKAZTFKTIICNW-SCTDSRPQSA-N 2 2 345.487 1.737 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000655036175 453157063 /nfs/dbraw/zinc/15/70/63/453157063.db2.gz XWLVPNZTZUWCJU-SFHVURJKSA-N 2 2 330.476 1.780 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000655036175 453157073 /nfs/dbraw/zinc/15/70/73/453157073.db2.gz XWLVPNZTZUWCJU-SFHVURJKSA-N 2 2 330.476 1.780 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000655036175 453157079 /nfs/dbraw/zinc/15/70/79/453157079.db2.gz XWLVPNZTZUWCJU-SFHVURJKSA-N 2 2 330.476 1.780 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000655036175 453157090 /nfs/dbraw/zinc/15/70/90/453157090.db2.gz XWLVPNZTZUWCJU-SFHVURJKSA-N 2 2 330.476 1.780 20 0 EDADLP C[C@H](CO)C1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000650995020 453172182 /nfs/dbraw/zinc/17/21/82/453172182.db2.gz ZRDZLYXWIMTPNO-OAHLLOKOSA-N 2 2 340.512 1.062 20 0 EDADLP C[C@@H](O)[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000664540157 453179610 /nfs/dbraw/zinc/17/96/10/453179610.db2.gz VAWKNNTYYHFTPW-QAPCUYQASA-N 2 2 348.491 1.434 20 0 EDADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000656493159 453223232 /nfs/dbraw/zinc/22/32/32/453223232.db2.gz GLDICDIBDBJIJB-UHFFFAOYSA-N 2 2 347.488 1.445 20 0 EDADLP COc1cc(C)nc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000646215666 453227031 /nfs/dbraw/zinc/22/70/31/453227031.db2.gz IPPRGNNBCXEXHQ-UHFFFAOYSA-N 2 2 334.464 1.480 20 0 EDADLP COc1cc(C)[nH+]c(CNCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000646215666 453227040 /nfs/dbraw/zinc/22/70/40/453227040.db2.gz IPPRGNNBCXEXHQ-UHFFFAOYSA-N 2 2 334.464 1.480 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000660344410 453232915 /nfs/dbraw/zinc/23/29/15/453232915.db2.gz BEJMHGBVKIACKD-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccc(Br)s1 ZINC000653063832 453240297 /nfs/dbraw/zinc/24/02/97/453240297.db2.gz YCXZIFYQDYEZNY-SNVBAGLBSA-N 2 2 334.283 1.448 20 0 EDADLP CN(Cc1cccc(Br)c1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653068142 453246397 /nfs/dbraw/zinc/24/63/97/453246397.db2.gz YDPJDVZMJAJKFI-ZDUSSCGKSA-N 2 2 328.254 1.687 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cc(F)cc(Br)c1 ZINC000653076049 453254206 /nfs/dbraw/zinc/25/42/06/453254206.db2.gz HETPPJVHIWYZCS-GFCCVEGCSA-N 2 2 332.217 1.483 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000656540566 453264005 /nfs/dbraw/zinc/26/40/05/453264005.db2.gz LJMCEBLIMDVICH-HNNXBMFYSA-N 2 2 334.464 1.322 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000656540566 453264014 /nfs/dbraw/zinc/26/40/14/453264014.db2.gz LJMCEBLIMDVICH-HNNXBMFYSA-N 2 2 334.464 1.322 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000648782551 453266193 /nfs/dbraw/zinc/26/61/93/453266193.db2.gz OKOSKYSAPCWPHV-CVEARBPZSA-N 2 2 335.496 1.396 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000648782551 453266201 /nfs/dbraw/zinc/26/62/01/453266201.db2.gz OKOSKYSAPCWPHV-CVEARBPZSA-N 2 2 335.496 1.396 20 0 EDADLP COCCSc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653086570 453268124 /nfs/dbraw/zinc/26/81/24/453268124.db2.gz WLELBPGYVRIFNY-BBRMVZONSA-N 2 2 339.505 1.881 20 0 EDADLP COc1ccc(C(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653086838 453268316 /nfs/dbraw/zinc/26/83/16/453268316.db2.gz CRIRDUWPMIMLRM-CQSZACIVSA-N 2 2 337.464 1.377 20 0 EDADLP CCc1ccc2c(c1)[C@@H](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)N2 ZINC000653088599 453271356 /nfs/dbraw/zinc/27/13/56/453271356.db2.gz DNOUAQADYGYLTM-HIFRSBDPSA-N 2 2 332.448 1.070 20 0 EDADLP CC1CCC(OC2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)CC1 ZINC000653089053 453272683 /nfs/dbraw/zinc/27/26/83/453272683.db2.gz WLOBUCVSGNOZNW-VMBOVVBDSA-N 2 2 325.497 1.852 20 0 EDADLP Cn1ccnc1[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1cccc(F)c1 ZINC000653107118 453289845 /nfs/dbraw/zinc/28/98/45/453289845.db2.gz YOYHSPMCPUSVTH-CABCVRRESA-N 2 2 333.411 1.044 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653108634 453290770 /nfs/dbraw/zinc/29/07/70/453290770.db2.gz CFSYOSIEPUCFQU-JKSUJKDBSA-N 2 2 330.432 1.065 20 0 EDADLP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653108721 453294151 /nfs/dbraw/zinc/29/41/51/453294151.db2.gz FVZTZXGFIWJPCP-LPHOPBHVSA-N 2 2 344.459 1.314 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000653118091 453306425 /nfs/dbraw/zinc/30/64/25/453306425.db2.gz BRJUTRXTKCBSOB-DZGCQCFKSA-N 2 2 338.883 1.704 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653119688 453308779 /nfs/dbraw/zinc/30/87/79/453308779.db2.gz SIUVLZUKRXGZBS-LPHOPBHVSA-N 2 2 340.427 1.126 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000653121245 453311096 /nfs/dbraw/zinc/31/10/96/453311096.db2.gz PQQMEJWOAFHETM-DAYGRLMNSA-N 3 2 348.491 1.513 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c2)C[C@H](C)O1 ZINC000653121245 453311100 /nfs/dbraw/zinc/31/11/00/453311100.db2.gz PQQMEJWOAFHETM-DAYGRLMNSA-N 3 2 348.491 1.513 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473765 453333828 /nfs/dbraw/zinc/33/38/28/453333828.db2.gz UWNGKFBVRGLVFG-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473765 453333837 /nfs/dbraw/zinc/33/38/37/453333837.db2.gz UWNGKFBVRGLVFG-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nc(-c2ccccc2)no1 ZINC000653153580 453342084 /nfs/dbraw/zinc/34/20/84/453342084.db2.gz UAMWUHWSUAHZPM-JSGCOSHPSA-N 2 2 331.420 1.235 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc[nH+]c2N2CCCC2)C1(C)C ZINC000662624748 453343267 /nfs/dbraw/zinc/34/32/67/453343267.db2.gz XCPADLVMYHJDHC-HNAYVOBHSA-N 2 2 346.475 1.831 20 0 EDADLP C[C@H](CC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)[NH+](C)C ZINC000656681839 453365052 /nfs/dbraw/zinc/36/50/52/453365052.db2.gz MOYOVZFZZACQND-ZWNOBZJWSA-N 2 2 328.254 1.905 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000646458944 453406879 /nfs/dbraw/zinc/40/68/79/453406879.db2.gz IRUXONGFDVDPMI-IBGZPJMESA-N 2 2 344.503 1.385 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000646458944 453406888 /nfs/dbraw/zinc/40/68/88/453406888.db2.gz IRUXONGFDVDPMI-IBGZPJMESA-N 2 2 344.503 1.385 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646458944 453406895 /nfs/dbraw/zinc/40/68/95/453406895.db2.gz IRUXONGFDVDPMI-IBGZPJMESA-N 2 2 344.503 1.385 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646458944 453406900 /nfs/dbraw/zinc/40/69/00/453406900.db2.gz IRUXONGFDVDPMI-IBGZPJMESA-N 2 2 344.503 1.385 20 0 EDADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000646472363 453420192 /nfs/dbraw/zinc/42/01/92/453420192.db2.gz FHXUXYVERPFGSB-GOEBONIOSA-N 2 2 333.480 1.183 20 0 EDADLP C[NH+]1CCN(c2ccc(NCc3cn(C4CCC4)nn3)[nH+]c2)CC1 ZINC000656770136 453444040 /nfs/dbraw/zinc/44/40/40/453444040.db2.gz PHHAGTAWIYCCMC-UHFFFAOYSA-N 2 2 327.436 1.762 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662740194 453465180 /nfs/dbraw/zinc/46/51/80/453465180.db2.gz SAMSQGYTQMSZSZ-AWEZNQCLSA-N 2 2 339.403 1.170 20 0 EDADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662756437 453494665 /nfs/dbraw/zinc/49/46/65/453494665.db2.gz HRZBLENTFHOBID-QGZVFWFLSA-N 2 2 348.466 1.452 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678661 453508227 /nfs/dbraw/zinc/50/82/27/453508227.db2.gz XQRPGQQMXJLKBX-UHFFFAOYSA-N 2 2 339.505 1.570 20 0 EDADLP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1[nH+]ccn1C ZINC000667257652 453518446 /nfs/dbraw/zinc/51/84/46/453518446.db2.gz RMXKOBCLHOFDIY-OAHLLOKOSA-N 3 2 338.500 1.396 20 0 EDADLP CC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000646625134 453521619 /nfs/dbraw/zinc/52/16/19/453521619.db2.gz RNJXISHPBYZZQS-HNNXBMFYSA-N 2 2 336.455 1.452 20 0 EDADLP Cc1cc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)on1 ZINC000651392435 453529363 /nfs/dbraw/zinc/52/93/63/453529363.db2.gz QRMSUDWZOFKFQQ-UHFFFAOYSA-N 2 2 334.464 1.592 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662795974 453530500 /nfs/dbraw/zinc/53/05/00/453530500.db2.gz SVKAQGDNQUHRSE-FZMZJTMJSA-N 2 2 328.338 1.319 20 0 EDADLP Cc1c(C[NH3+])c(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)nn1C ZINC000662835985 453562814 /nfs/dbraw/zinc/56/28/14/453562814.db2.gz RWQCYQFHSKQNQJ-UHFFFAOYSA-N 2 2 338.415 1.613 20 0 EDADLP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900255 453593534 /nfs/dbraw/zinc/59/35/34/453593534.db2.gz KTTXHPBKBTXRFV-MRXNPFEDSA-N 3 2 334.508 1.275 20 0 EDADLP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900255 453593536 /nfs/dbraw/zinc/59/35/36/453593536.db2.gz KTTXHPBKBTXRFV-MRXNPFEDSA-N 3 2 334.508 1.275 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000665172939 453600667 /nfs/dbraw/zinc/60/06/67/453600667.db2.gz NHVWSQKXFWZUGA-UHFFFAOYSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000665172939 453600671 /nfs/dbraw/zinc/60/06/71/453600671.db2.gz NHVWSQKXFWZUGA-UHFFFAOYSA-N 3 2 327.517 1.042 20 0 EDADLP O=C(C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)N1CCOCC1 ZINC000660853383 453610382 /nfs/dbraw/zinc/61/03/82/453610382.db2.gz WZAJEANIDQSZJG-UHFFFAOYSA-N 2 2 342.443 1.676 20 0 EDADLP NC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000665252350 453624504 /nfs/dbraw/zinc/62/45/04/453624504.db2.gz NIGLZAIBGWVZGX-CZUORRHYSA-N 2 2 338.402 1.543 20 0 EDADLP COc1ccccc1-c1cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)on1 ZINC000662979056 453634665 /nfs/dbraw/zinc/63/46/65/453634665.db2.gz LTISXXPCWQVKPR-CQSZACIVSA-N 2 2 332.404 1.245 20 0 EDADLP C[C@H](C(=O)N[C@]1(C)CC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000663012689 453646454 /nfs/dbraw/zinc/64/64/54/453646454.db2.gz XQYUCROSOHZLMX-RDTXWAMCSA-N 2 2 334.439 1.204 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000657090326 453672613 /nfs/dbraw/zinc/67/26/13/453672613.db2.gz BUUGUPUMKGBNOT-UHFFFAOYSA-N 2 2 347.912 1.810 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000657090326 453672616 /nfs/dbraw/zinc/67/26/16/453672616.db2.gz BUUGUPUMKGBNOT-UHFFFAOYSA-N 2 2 347.912 1.810 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000665462244 453701987 /nfs/dbraw/zinc/70/19/87/453701987.db2.gz IGZHOLKZIGJLOH-MJGOQNOKSA-N 2 2 343.471 1.966 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000665462244 453701989 /nfs/dbraw/zinc/70/19/89/453701989.db2.gz IGZHOLKZIGJLOH-MJGOQNOKSA-N 2 2 343.471 1.966 20 0 EDADLP CCCn1nccc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000657339352 453769457 /nfs/dbraw/zinc/76/94/57/453769457.db2.gz CGEJNDHUBJLPEW-UHFFFAOYSA-N 3 2 342.491 1.990 20 0 EDADLP O[C@@]1(C[NH2+]Cc2cnn3c2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000657373079 453776899 /nfs/dbraw/zinc/77/68/99/453776899.db2.gz PFTQHFUKKTWDEU-LJQANCHMSA-N 2 2 326.444 1.556 20 0 EDADLP O[C@@]1(C[NH2+]Cc2cnn3c2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000657373079 453776902 /nfs/dbraw/zinc/77/69/02/453776902.db2.gz PFTQHFUKKTWDEU-LJQANCHMSA-N 2 2 326.444 1.556 20 0 EDADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000663364809 453780782 /nfs/dbraw/zinc/78/07/82/453780782.db2.gz LSOWSWBJCKBVKF-LSDHHAIUSA-N 2 2 338.448 1.517 20 0 EDADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000663364809 453780785 /nfs/dbraw/zinc/78/07/85/453780785.db2.gz LSOWSWBJCKBVKF-LSDHHAIUSA-N 2 2 338.448 1.517 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000657406577 453783148 /nfs/dbraw/zinc/78/31/48/453783148.db2.gz GBZPHGFXUNDRDT-KRWDZBQOSA-N 2 2 339.443 1.891 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000657406577 453783152 /nfs/dbraw/zinc/78/31/52/453783152.db2.gz GBZPHGFXUNDRDT-KRWDZBQOSA-N 2 2 339.443 1.891 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)CO1 ZINC000663417920 453792998 /nfs/dbraw/zinc/79/29/98/453792998.db2.gz ZJZUSQSDQHGDPV-JFIYKMOQSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)CO1 ZINC000663417920 453793001 /nfs/dbraw/zinc/79/30/01/453793001.db2.gz ZJZUSQSDQHGDPV-JFIYKMOQSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1[nH+]ccn1C ZINC000663435016 453798049 /nfs/dbraw/zinc/79/80/49/453798049.db2.gz PSIYUWRUHWELHS-HNNXBMFYSA-N 2 2 349.479 1.815 20 0 EDADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000663510505 453812973 /nfs/dbraw/zinc/81/29/73/453812973.db2.gz QZNPYWMRBJPDHS-CYBMUJFWSA-N 2 2 330.432 1.946 20 0 EDADLP C[C@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676263688 486715832 /nfs/dbraw/zinc/71/58/32/486715832.db2.gz KDBIAVSVLQCMBE-WFASDCNBSA-N 2 2 330.392 1.108 20 0 EDADLP C[C@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676263688 486715834 /nfs/dbraw/zinc/71/58/34/486715834.db2.gz KDBIAVSVLQCMBE-WFASDCNBSA-N 2 2 330.392 1.108 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3coc(C4CCC4)n3)C2)CC1 ZINC000683484296 486730301 /nfs/dbraw/zinc/73/03/01/486730301.db2.gz OLBURNRGOHGBOD-AWEZNQCLSA-N 2 2 332.448 1.840 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3coc(C4CCC4)n3)C2)CC1 ZINC000683484296 486730307 /nfs/dbraw/zinc/73/03/07/486730307.db2.gz OLBURNRGOHGBOD-AWEZNQCLSA-N 2 2 332.448 1.840 20 0 EDADLP C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000676315173 486735246 /nfs/dbraw/zinc/73/52/46/486735246.db2.gz YWHQOASKRKBZJE-IUODEOHRSA-N 2 2 331.420 1.165 20 0 EDADLP C[C@@H](Nc1nc(NCCO)c2ccccc2[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000676315173 486735251 /nfs/dbraw/zinc/73/52/51/486735251.db2.gz YWHQOASKRKBZJE-IUODEOHRSA-N 2 2 331.420 1.165 20 0 EDADLP Cc1nnc2c(N3CC[NH+](C4CC[NH+](C(C)C)CC4)CC3)nccn12 ZINC000676352875 486745061 /nfs/dbraw/zinc/74/50/61/486745061.db2.gz KODQKWWUUZEVIB-UHFFFAOYSA-N 2 2 343.479 1.428 20 0 EDADLP Cc1nc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1Br ZINC000667384596 486752355 /nfs/dbraw/zinc/75/23/55/486752355.db2.gz GUSFWSAGPZFBBK-JTQLQIEISA-N 2 2 342.241 1.259 20 0 EDADLP Cc1nc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1Br ZINC000667384596 486752360 /nfs/dbraw/zinc/75/23/60/486752360.db2.gz GUSFWSAGPZFBBK-JTQLQIEISA-N 2 2 342.241 1.259 20 0 EDADLP CS(=O)(=O)NC1CC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000670271434 486776143 /nfs/dbraw/zinc/77/61/43/486776143.db2.gz OPQDCUUOFUZCJX-GTPINHCMSA-N 2 2 337.489 1.321 20 0 EDADLP CS(=O)(=O)NC1CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000670271434 486776147 /nfs/dbraw/zinc/77/61/47/486776147.db2.gz OPQDCUUOFUZCJX-GTPINHCMSA-N 2 2 337.489 1.321 20 0 EDADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000683690650 486792781 /nfs/dbraw/zinc/79/27/81/486792781.db2.gz NTJLXRHHOBAIQG-PXNSSMCTSA-N 2 2 344.503 1.930 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)C1 ZINC000672781516 486798725 /nfs/dbraw/zinc/79/87/25/486798725.db2.gz KNUSCBRFQHWIKW-HOTGVXAUSA-N 2 2 346.475 1.099 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)C1 ZINC000672781516 486798727 /nfs/dbraw/zinc/79/87/27/486798727.db2.gz KNUSCBRFQHWIKW-HOTGVXAUSA-N 2 2 346.475 1.099 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000672943129 486849677 /nfs/dbraw/zinc/84/96/77/486849677.db2.gz VZLXVMPJIZWERJ-GVDBMIGSSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1COCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000676715308 486852882 /nfs/dbraw/zinc/85/28/82/486852882.db2.gz UJAFZJHKKZJURG-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP C[C@@H]1COCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000676715308 486852885 /nfs/dbraw/zinc/85/28/85/486852885.db2.gz UJAFZJHKKZJURG-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP C[N@H+](CCO)Cc1cc(NC(=O)[C@@H]2C[NH+](C)CCO2)ccc1Cl ZINC000670382192 486884582 /nfs/dbraw/zinc/88/45/82/486884582.db2.gz FTEKSBHJAATCQL-HNNXBMFYSA-N 2 2 341.839 1.033 20 0 EDADLP C[N@@H+](CCO)Cc1cc(NC(=O)[C@@H]2C[NH+](C)CCO2)ccc1Cl ZINC000670382192 486884590 /nfs/dbraw/zinc/88/45/90/486884590.db2.gz FTEKSBHJAATCQL-HNNXBMFYSA-N 2 2 341.839 1.033 20 0 EDADLP C[NH+](CCO)Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)ccc1Cl ZINC000670382192 486884595 /nfs/dbraw/zinc/88/45/95/486884595.db2.gz FTEKSBHJAATCQL-HNNXBMFYSA-N 2 2 341.839 1.033 20 0 EDADLP C[NH+](CCO)Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)ccc1Cl ZINC000670382192 486884600 /nfs/dbraw/zinc/88/46/00/486884600.db2.gz FTEKSBHJAATCQL-HNNXBMFYSA-N 2 2 341.839 1.033 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676843216 486900582 /nfs/dbraw/zinc/90/05/82/486900582.db2.gz PRQVDNPTZOIRKM-DOTOQJQBSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676843216 486900585 /nfs/dbraw/zinc/90/05/85/486900585.db2.gz PRQVDNPTZOIRKM-DOTOQJQBSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)NCCOCC1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681214995 486975452 /nfs/dbraw/zinc/97/54/52/486975452.db2.gz FYLWHGSXDPLKGO-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C(=O)NCCOCC1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681214995 486975457 /nfs/dbraw/zinc/97/54/57/486975457.db2.gz FYLWHGSXDPLKGO-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681212658 486975150 /nfs/dbraw/zinc/97/51/50/486975150.db2.gz TUDFWZMZTQALLS-SJORKVTESA-N 2 2 338.496 1.365 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681212658 486975155 /nfs/dbraw/zinc/97/51/55/486975155.db2.gz TUDFWZMZTQALLS-SJORKVTESA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000677175265 486995601 /nfs/dbraw/zinc/99/56/01/486995601.db2.gz PRIGSWYJRXCKQP-MRXNPFEDSA-N 2 2 331.460 1.685 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000677175265 486995603 /nfs/dbraw/zinc/99/56/03/486995603.db2.gz PRIGSWYJRXCKQP-MRXNPFEDSA-N 2 2 331.460 1.685 20 0 EDADLP Cc1ccc(CCC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c[nH+]1 ZINC000684358492 487037389 /nfs/dbraw/zinc/03/73/89/487037389.db2.gz ZUWGLPVAOOHAMR-UHFFFAOYSA-N 3 2 332.492 1.712 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515915 487038138 /nfs/dbraw/zinc/03/81/38/487038138.db2.gz FGUARWRPRKIGBA-DLBZAZTESA-N 2 2 326.400 1.153 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673515915 487038142 /nfs/dbraw/zinc/03/81/42/487038142.db2.gz FGUARWRPRKIGBA-DLBZAZTESA-N 2 2 326.400 1.153 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000677376582 487061426 /nfs/dbraw/zinc/06/14/26/487061426.db2.gz UVUZEQHPEKMUHI-CYBMUJFWSA-N 2 2 331.424 1.200 20 0 EDADLP CC(C)n1ccnc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000668157016 487122859 /nfs/dbraw/zinc/12/28/59/487122859.db2.gz FRYBTTRGIYTVJL-UHFFFAOYSA-N 2 2 333.480 1.450 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C(F)F)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000677735174 487160319 /nfs/dbraw/zinc/16/03/19/487160319.db2.gz ZRSIMTHMJITFFD-CQSZACIVSA-N 2 2 343.443 1.979 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000677735174 487160324 /nfs/dbraw/zinc/16/03/24/487160324.db2.gz ZRSIMTHMJITFFD-CQSZACIVSA-N 2 2 343.443 1.979 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561278 487295882 /nfs/dbraw/zinc/29/58/82/487295882.db2.gz CEHJVORSRYZRCQ-WBVHZDCISA-N 2 2 347.507 1.639 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561278 487295885 /nfs/dbraw/zinc/29/58/85/487295885.db2.gz CEHJVORSRYZRCQ-WBVHZDCISA-N 2 2 347.507 1.639 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561278 487295888 /nfs/dbraw/zinc/29/58/88/487295888.db2.gz CEHJVORSRYZRCQ-WBVHZDCISA-N 2 2 347.507 1.639 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)C1CC1 ZINC000685561278 487295891 /nfs/dbraw/zinc/29/58/91/487295891.db2.gz CEHJVORSRYZRCQ-WBVHZDCISA-N 2 2 347.507 1.639 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000674877460 487344472 /nfs/dbraw/zinc/34/44/72/487344472.db2.gz SOOJHSLIDCZLNO-CABCVRRESA-N 2 2 337.489 1.481 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682514810 487379773 /nfs/dbraw/zinc/37/97/73/487379773.db2.gz ISJIJGJSXHSDSG-FPCVCCKLSA-N 2 2 332.448 1.156 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C2)o1 ZINC000675233567 487391876 /nfs/dbraw/zinc/39/18/76/487391876.db2.gz WUDXNMLTVZPZIW-LSDHHAIUSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C2)o1 ZINC000675233567 487391878 /nfs/dbraw/zinc/39/18/78/487391878.db2.gz WUDXNMLTVZPZIW-LSDHHAIUSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)c1cnc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC000675233567 487391882 /nfs/dbraw/zinc/39/18/82/487391882.db2.gz WUDXNMLTVZPZIW-LSDHHAIUSA-N 2 2 334.464 1.925 20 0 EDADLP Cc1cccn2cc(CN3CC[NH+](CCC(=O)N(C)C)CC3)[nH+]c12 ZINC000675510837 487417180 /nfs/dbraw/zinc/41/71/80/487417180.db2.gz HVVPGGLPGDCCIU-UHFFFAOYSA-N 2 2 329.448 1.239 20 0 EDADLP CC(C)Oc1cncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675796139 487445131 /nfs/dbraw/zinc/44/51/31/487445131.db2.gz YTMNKSQYWAZZJK-MRXNPFEDSA-N 2 2 346.475 1.767 20 0 EDADLP CC(C)Oc1cncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675796139 487445132 /nfs/dbraw/zinc/44/51/32/487445132.db2.gz YTMNKSQYWAZZJK-MRXNPFEDSA-N 2 2 346.475 1.767 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000669024510 485574028 /nfs/dbraw/zinc/57/40/28/485574028.db2.gz PLVYCIXIQRMCDN-CVEARBPZSA-N 2 2 331.464 1.951 20 0 EDADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000669028459 485576087 /nfs/dbraw/zinc/57/60/87/485576087.db2.gz YVRYEUOIAOEZNL-GXFFZTMASA-N 2 2 337.811 1.245 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669153579 485743125 /nfs/dbraw/zinc/74/31/25/485743125.db2.gz RABYOHZYXJUHRT-HZPDHXFCSA-N 2 2 329.448 1.575 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[C@H]1[NH3+] ZINC000669153499 485743982 /nfs/dbraw/zinc/74/39/82/485743982.db2.gz FHXHJSZIDYSORL-HZPDHXFCSA-N 2 2 331.464 1.951 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000668506958 485821768 /nfs/dbraw/zinc/82/17/68/485821768.db2.gz LXYLOGHNHVQVET-BSWAZPDLSA-N 2 2 344.521 1.431 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000345046712 485956512 /nfs/dbraw/zinc/95/65/12/485956512.db2.gz LIIKRQVXBYBSMH-AEFFLSMTSA-N 2 2 346.475 1.747 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)Cn1cc[nH+]c1 ZINC000347020477 486009587 /nfs/dbraw/zinc/00/95/87/486009587.db2.gz YBNYQHMYFLJCJB-OIISXLGYSA-N 2 2 334.464 1.382 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncnc2[nH]ccc21 ZINC000668687020 486045430 /nfs/dbraw/zinc/04/54/30/486045430.db2.gz DYIZVVNSAQQCAZ-UHFFFAOYSA-N 2 2 330.436 1.008 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncnc2[nH]ccc21 ZINC000668687020 486045435 /nfs/dbraw/zinc/04/54/35/486045435.db2.gz DYIZVVNSAQQCAZ-UHFFFAOYSA-N 2 2 330.436 1.008 20 0 EDADLP O=C1COc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2N1 ZINC000668691770 486055653 /nfs/dbraw/zinc/05/56/53/486055653.db2.gz BUWWNNMTFZRZON-OAHLLOKOSA-N 2 2 331.416 1.360 20 0 EDADLP CC(C)COC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000669438390 486195964 /nfs/dbraw/zinc/19/59/64/486195964.db2.gz BSZHPIQVPZKKFE-CABCVRRESA-N 2 2 338.452 1.278 20 0 EDADLP CC(C)COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000669438390 486195969 /nfs/dbraw/zinc/19/59/69/486195969.db2.gz BSZHPIQVPZKKFE-CABCVRRESA-N 2 2 338.452 1.278 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000668793532 486204155 /nfs/dbraw/zinc/20/41/55/486204155.db2.gz FGLCLLKRHFEDIP-UHFFFAOYSA-N 2 2 341.394 1.462 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000348159317 486286317 /nfs/dbraw/zinc/28/63/17/486286317.db2.gz MRZXQHZXOIKPFY-BBWFWOEESA-N 2 2 346.475 1.259 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC(NS(C)(=O)=O)C2)C1 ZINC000669832197 486469329 /nfs/dbraw/zinc/46/93/29/486469329.db2.gz KHXTZWYLENELHG-DFULUXCASA-N 2 2 337.489 1.492 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC(NS(C)(=O)=O)C2)C1 ZINC000669832197 486469334 /nfs/dbraw/zinc/46/93/34/486469334.db2.gz KHXTZWYLENELHG-DFULUXCASA-N 2 2 337.489 1.492 20 0 EDADLP [NH3+]C1(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CCC1 ZINC000168537918 486556673 /nfs/dbraw/zinc/55/66/73/486556673.db2.gz WWYXKMAQBQXWKH-KRWDZBQOSA-N 2 2 331.460 1.318 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000670082248 486607948 /nfs/dbraw/zinc/60/79/48/486607948.db2.gz DMBKBSKLNDZFTM-UHFFFAOYSA-N 2 2 331.420 1.758 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C[C@@H](C)O1 ZINC000305717253 491244369 /nfs/dbraw/zinc/24/43/69/491244369.db2.gz HZOYJRIZMGGBFL-YYWYGQEZSA-N 2 2 336.480 1.236 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C[C@@H](C)O1 ZINC000305717253 491244373 /nfs/dbraw/zinc/24/43/73/491244373.db2.gz HZOYJRIZMGGBFL-YYWYGQEZSA-N 2 2 336.480 1.236 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000121153588 490998891 /nfs/dbraw/zinc/99/88/91/490998891.db2.gz JINIVGUFHLWMNB-CVEARBPZSA-N 2 2 329.448 1.444 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000121153588 490998892 /nfs/dbraw/zinc/99/88/92/490998892.db2.gz JINIVGUFHLWMNB-CVEARBPZSA-N 2 2 329.448 1.444 20 0 EDADLP CCC[NH+]1CCC([NH2+]Cc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000129843929 491001271 /nfs/dbraw/zinc/00/12/71/491001271.db2.gz DGJGUVRBASRSAE-UHFFFAOYSA-N 2 2 339.505 1.901 20 0 EDADLP COC1CC[NH+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000080079980 491170015 /nfs/dbraw/zinc/17/00/15/491170015.db2.gz JZXRDHLQLFLVRJ-UHFFFAOYSA-N 2 2 349.479 1.172 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC(C)(C)O1 ZINC000153630572 534312294 /nfs/dbraw/zinc/31/22/94/534312294.db2.gz KSAYEQMARYILJW-CQSZACIVSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000363379644 519671712 /nfs/dbraw/zinc/67/17/12/519671712.db2.gz UMOYCXYWAZNBRZ-UHFFFAOYSA-N 2 2 342.447 1.939 20 0 EDADLP O=C(C[NH2+]CC1CC1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000164189536 534591179 /nfs/dbraw/zinc/59/11/79/534591179.db2.gz DNBMQVHIZCVRMU-UHFFFAOYSA-N 2 2 344.459 1.205 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCCOCC2)CC1 ZINC000363379396 525140912 /nfs/dbraw/zinc/14/09/12/525140912.db2.gz POEHPBOQGIETGJ-UHFFFAOYSA-N 2 2 345.487 1.752 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCCOCC2)CC1 ZINC000363379396 525140922 /nfs/dbraw/zinc/14/09/22/525140922.db2.gz POEHPBOQGIETGJ-UHFFFAOYSA-N 2 2 345.487 1.752 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCCOCC2)CC1 ZINC000363379396 525140927 /nfs/dbraw/zinc/14/09/27/525140927.db2.gz POEHPBOQGIETGJ-UHFFFAOYSA-N 2 2 345.487 1.752 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCCOCC2)CC1 ZINC000363379396 525140936 /nfs/dbraw/zinc/14/09/36/525140936.db2.gz POEHPBOQGIETGJ-UHFFFAOYSA-N 2 2 345.487 1.752 20 0 EDADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000177917720 534849848 /nfs/dbraw/zinc/84/98/48/534849848.db2.gz FLTHESROOVUWFM-KBXCAEBGSA-N 2 2 328.460 1.798 20 0 EDADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000177917720 534849853 /nfs/dbraw/zinc/84/98/53/534849853.db2.gz FLTHESROOVUWFM-KBXCAEBGSA-N 2 2 328.460 1.798 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CSC[NH2+]1 ZINC000169245856 528348984 /nfs/dbraw/zinc/34/89/84/528348984.db2.gz LZNLYDMAOGTHNT-OAHLLOKOSA-N 2 2 334.489 1.809 20 0 EDADLP CC(C)(CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000333451298 535112759 /nfs/dbraw/zinc/11/27/59/535112759.db2.gz XOAUALWYPJBQKA-HOTGVXAUSA-N 2 2 338.496 1.128 20 0 EDADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263133443 535253979 /nfs/dbraw/zinc/25/39/79/535253979.db2.gz BXPITYFRSHULQT-OCCSQVGLSA-N 2 2 343.265 1.908 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000333781402 535355565 /nfs/dbraw/zinc/35/55/65/535355565.db2.gz KWIOVXCYTKMFMD-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000333781402 535355568 /nfs/dbraw/zinc/35/55/68/535355568.db2.gz KWIOVXCYTKMFMD-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP CCC[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@@H+]1CCOC ZINC000270980205 535427603 /nfs/dbraw/zinc/42/76/03/535427603.db2.gz SZHMWGBNFIFSDQ-QGZVFWFLSA-N 2 2 344.459 1.836 20 0 EDADLP CCC[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@H+]1CCOC ZINC000270980205 535427608 /nfs/dbraw/zinc/42/76/08/535427608.db2.gz SZHMWGBNFIFSDQ-QGZVFWFLSA-N 2 2 344.459 1.836 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093045528 535489687 /nfs/dbraw/zinc/48/96/87/535489687.db2.gz IPKLUNNIMSYERD-UHFFFAOYSA-N 2 2 329.448 1.549 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+]2CCOCC2)C12CCOCC2 ZINC000346553015 535511716 /nfs/dbraw/zinc/51/17/16/535511716.db2.gz FNYPHLGZJQDJEK-YESZJQIVSA-N 2 2 326.481 1.661 20 0 EDADLP CCC[C@H]([NH3+])C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000236797606 535674815 /nfs/dbraw/zinc/67/48/15/535674815.db2.gz DZLQZVPOUSLMII-WMZOPIPTSA-N 2 2 333.476 1.863 20 0 EDADLP CC[N@H+](C)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000066987388 535750690 /nfs/dbraw/zinc/75/06/90/535750690.db2.gz ANKJJGNEUSZTDT-HUUCEWRRSA-N 2 2 349.479 1.446 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000066987388 535750697 /nfs/dbraw/zinc/75/06/97/535750697.db2.gz ANKJJGNEUSZTDT-HUUCEWRRSA-N 2 2 349.479 1.446 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000237050072 535845801 /nfs/dbraw/zinc/84/58/01/535845801.db2.gz SKGZTWJCRGJJIT-SUMWQHHRSA-N 2 2 337.439 1.852 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000353299136 535929708 /nfs/dbraw/zinc/92/97/08/535929708.db2.gz MHLZFTUCJXTMSS-DLBZAZTESA-N 2 2 332.448 1.337 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000353299136 535929711 /nfs/dbraw/zinc/92/97/11/535929711.db2.gz MHLZFTUCJXTMSS-DLBZAZTESA-N 2 2 332.448 1.337 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)s1 ZINC000352704184 536056684 /nfs/dbraw/zinc/05/66/84/536056684.db2.gz IIETZBWEHUYBDY-UHFFFAOYSA-N 2 2 345.515 1.960 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)n1C ZINC000331872932 536160722 /nfs/dbraw/zinc/16/07/22/536160722.db2.gz GTOPQYBSNWEWNE-UHFFFAOYSA-N 2 2 331.420 1.474 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cscn1 ZINC000063591745 536303137 /nfs/dbraw/zinc/30/31/37/536303137.db2.gz UTBVZNVTZLCWEH-UHFFFAOYSA-N 2 2 345.472 1.709 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cscn1 ZINC000063591745 536303141 /nfs/dbraw/zinc/30/31/41/536303141.db2.gz UTBVZNVTZLCWEH-UHFFFAOYSA-N 2 2 345.472 1.709 20 0 EDADLP C[NH2+][C@@H]1CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000261807287 536361372 /nfs/dbraw/zinc/36/13/72/536361372.db2.gz SCPOETOFEJTRNS-GOSISDBHSA-N 2 2 346.475 1.141 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264225032 536374681 /nfs/dbraw/zinc/37/46/81/536374681.db2.gz LAIDIXNSMLPAEX-SJLPKXTDSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264225032 536374684 /nfs/dbraw/zinc/37/46/84/536374684.db2.gz LAIDIXNSMLPAEX-SJLPKXTDSA-N 2 2 331.460 1.395 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000741784488 579428214 /nfs/dbraw/zinc/42/82/14/579428214.db2.gz GCNWATANOFJJEA-NLWGTHIKSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000741784488 579428215 /nfs/dbraw/zinc/42/82/15/579428215.db2.gz GCNWATANOFJJEA-NLWGTHIKSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccccc1[C@H](O)C[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000741784488 579428216 /nfs/dbraw/zinc/42/82/16/579428216.db2.gz GCNWATANOFJJEA-NLWGTHIKSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccccc1[C@H](O)C[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000741784488 579428217 /nfs/dbraw/zinc/42/82/17/579428217.db2.gz GCNWATANOFJJEA-NLWGTHIKSA-N 2 2 347.503 1.365 20 0 EDADLP CC(C)[NH+]1CCN(C2CCN(c3nc(N(C)C)cc[nH+]3)CC2)CC1 ZINC000760266845 580026708 /nfs/dbraw/zinc/02/67/08/580026708.db2.gz BYHGWYOFFXRBKF-UHFFFAOYSA-N 2 2 332.496 1.537 20 0 EDADLP CC(C)N1CC[NH+](C2CCN(c3nc(N(C)C)cc[nH+]3)CC2)CC1 ZINC000760266845 580026709 /nfs/dbraw/zinc/02/67/09/580026709.db2.gz BYHGWYOFFXRBKF-UHFFFAOYSA-N 2 2 332.496 1.537 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC000732782396 578728194 /nfs/dbraw/zinc/72/81/94/578728194.db2.gz YKQDBGXUZCAOMY-QGZVFWFLSA-N 3 2 336.524 1.537 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC000732782396 578728196 /nfs/dbraw/zinc/72/81/96/578728196.db2.gz YKQDBGXUZCAOMY-QGZVFWFLSA-N 3 2 336.524 1.537 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC1CCC2(CC1)OCCO2 ZINC000735869539 578934417 /nfs/dbraw/zinc/93/44/17/578934417.db2.gz AZSUGILITCHCJZ-UHFFFAOYSA-N 2 2 348.447 1.391 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000746002928 579569535 /nfs/dbraw/zinc/56/95/35/579569535.db2.gz NUNKKSLMKWZUJM-CVEARBPZSA-N 2 2 348.466 1.499 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000746002928 579569536 /nfs/dbraw/zinc/56/95/36/579569536.db2.gz NUNKKSLMKWZUJM-CVEARBPZSA-N 2 2 348.466 1.499 20 0 EDADLP C[N@@H+]1CCN(C(=S)NCC[NH+]2CCOCC2)[C@H](c2ccccc2)C1 ZINC000747755234 579657132 /nfs/dbraw/zinc/65/71/32/579657132.db2.gz FQMKTPAALTWQIP-KRWDZBQOSA-N 2 2 348.516 1.182 20 0 EDADLP C[N@H+]1CCN(C(=S)NCC[NH+]2CCOCC2)[C@H](c2ccccc2)C1 ZINC000747755234 579657134 /nfs/dbraw/zinc/65/71/34/579657134.db2.gz FQMKTPAALTWQIP-KRWDZBQOSA-N 2 2 348.516 1.182 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000749491658 579728582 /nfs/dbraw/zinc/72/85/82/579728582.db2.gz WWWOXTFNYOMNCC-OAGGEKHMSA-N 2 2 341.496 1.821 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000749491658 579728584 /nfs/dbraw/zinc/72/85/84/579728584.db2.gz WWWOXTFNYOMNCC-OAGGEKHMSA-N 2 2 341.496 1.821 20 0 EDADLP O=C(CC[NH+]1CCOCC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000750852475 579783997 /nfs/dbraw/zinc/78/39/97/579783997.db2.gz MIAJVOBCIWUNEI-INIZCTEOSA-N 2 2 335.448 1.645 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)CC[NH+]1CCOCC1)c1ccccc1Cl ZINC000750862596 579784466 /nfs/dbraw/zinc/78/44/66/579784466.db2.gz DAANXQBNPIZWBE-INIZCTEOSA-N 2 2 339.867 1.781 20 0 EDADLP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(N)[nH+]1 ZINC000751111545 579794580 /nfs/dbraw/zinc/79/45/80/579794580.db2.gz ZOJVQTGBTUTOTR-UHFFFAOYSA-N 3 2 346.523 2.000 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(C(N)=O)no3)CC2)cc1 ZINC000757904951 579972667 /nfs/dbraw/zinc/97/26/67/579972667.db2.gz CHKVPZTVZUBMDY-UHFFFAOYSA-N 2 2 343.431 1.598 20 0 EDADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000762567465 580077767 /nfs/dbraw/zinc/07/77/67/580077767.db2.gz HGZBBMSHBHUBKY-KRWDZBQOSA-N 2 2 334.851 1.990 20 0 EDADLP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000762567465 580077768 /nfs/dbraw/zinc/07/77/68/580077768.db2.gz HGZBBMSHBHUBKY-KRWDZBQOSA-N 2 2 334.851 1.990 20 0 EDADLP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000765520740 580144750 /nfs/dbraw/zinc/14/47/50/580144750.db2.gz RJBVWTWGMBNYQO-UHFFFAOYSA-N 2 2 328.416 1.629 20 0 EDADLP CN(C(=O)NC[C@H]1CCC=CO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000780749494 580532896 /nfs/dbraw/zinc/53/28/96/580532896.db2.gz HZFSJPRGUQMOID-DLBZAZTESA-N 2 2 336.480 1.489 20 0 EDADLP CN(C(=O)NC[C@H]1CCC=CO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000780749494 580532897 /nfs/dbraw/zinc/53/28/97/580532897.db2.gz HZFSJPRGUQMOID-DLBZAZTESA-N 2 2 336.480 1.489 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000783648813 580603456 /nfs/dbraw/zinc/60/34/56/580603456.db2.gz DMQOKBWWWJPWIM-ZDUSSCGKSA-N 2 2 333.423 1.143 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000783648813 580603457 /nfs/dbraw/zinc/60/34/57/580603457.db2.gz DMQOKBWWWJPWIM-ZDUSSCGKSA-N 2 2 333.423 1.143 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000783987722 580610394 /nfs/dbraw/zinc/61/03/94/580610394.db2.gz CFNKIIWTTVEMBD-ZIAGYGMSSA-N 2 2 348.447 1.357 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)C1 ZINC000783987722 580610395 /nfs/dbraw/zinc/61/03/95/580610395.db2.gz CFNKIIWTTVEMBD-ZIAGYGMSSA-N 2 2 348.447 1.357 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000783989454 580610579 /nfs/dbraw/zinc/61/05/79/580610579.db2.gz RJRHNUUHCLXNPJ-CVEARBPZSA-N 2 2 331.464 1.254 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000785004759 580633818 /nfs/dbraw/zinc/63/38/18/580633818.db2.gz ATFGFGODRKECBJ-KBPBESRZSA-N 2 2 347.463 1.336 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000785004759 580633819 /nfs/dbraw/zinc/63/38/19/580633819.db2.gz ATFGFGODRKECBJ-KBPBESRZSA-N 2 2 347.463 1.336 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000791931976 580805625 /nfs/dbraw/zinc/80/56/25/580805625.db2.gz SKKVTXSVEHDNNJ-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000791931976 580805626 /nfs/dbraw/zinc/80/56/26/580805626.db2.gz SKKVTXSVEHDNNJ-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000791931977 580805639 /nfs/dbraw/zinc/80/56/39/580805639.db2.gz SKKVTXSVEHDNNJ-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000791931977 580805640 /nfs/dbraw/zinc/80/56/40/580805640.db2.gz SKKVTXSVEHDNNJ-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+](C/C=C\C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@H]1CC(C)(C)OC1=O ZINC000795667336 580933462 /nfs/dbraw/zinc/93/34/62/580933462.db2.gz RVQBRRYIXPZNMG-MYNJGTHASA-N 2 2 338.448 1.594 20 0 EDADLP C[NH+](C/C=C\C[N@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@H]1CC(C)(C)OC1=O ZINC000795667336 580933463 /nfs/dbraw/zinc/93/34/63/580933463.db2.gz RVQBRRYIXPZNMG-MYNJGTHASA-N 2 2 338.448 1.594 20 0 EDADLP C[NH+](C/C=C\C[N@H+](C)[C@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795667336 580933464 /nfs/dbraw/zinc/93/34/64/580933464.db2.gz RVQBRRYIXPZNMG-MYNJGTHASA-N 2 2 338.448 1.594 20 0 EDADLP C[NH+](C/C=C\C[N@@H+](C)[C@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795667336 580933465 /nfs/dbraw/zinc/93/34/65/580933465.db2.gz RVQBRRYIXPZNMG-MYNJGTHASA-N 2 2 338.448 1.594 20 0 EDADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[NH+](C)C ZINC000796747360 580961183 /nfs/dbraw/zinc/96/11/83/580961183.db2.gz SIQBCRLUNYSMTR-KBMXLJTQSA-N 2 2 341.496 1.941 20 0 EDADLP CCOc1cccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000797873629 580982757 /nfs/dbraw/zinc/98/27/57/580982757.db2.gz ONBCBTIHEAQLOE-UHFFFAOYSA-N 2 2 348.491 1.507 20 0 EDADLP CCOc1cccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000797873629 580982758 /nfs/dbraw/zinc/98/27/58/580982758.db2.gz ONBCBTIHEAQLOE-UHFFFAOYSA-N 2 2 348.491 1.507 20 0 EDADLP CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000799943979 581039395 /nfs/dbraw/zinc/03/93/95/581039395.db2.gz WQQBNJFEOFHTCU-HOCLYGCPSA-N 2 2 332.448 1.604 20 0 EDADLP CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000799943979 581039396 /nfs/dbraw/zinc/03/93/96/581039396.db2.gz WQQBNJFEOFHTCU-HOCLYGCPSA-N 2 2 332.448 1.604 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C[C@H](O)c3ccccc3)[C@H](C)C2)CCO1 ZINC000800337547 581050812 /nfs/dbraw/zinc/05/08/12/581050812.db2.gz DQIVINPSUUIRNK-GGPKGHCWSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C[C@H](O)c3ccccc3)[C@H](C)C2)CCO1 ZINC000800337547 581050813 /nfs/dbraw/zinc/05/08/13/581050813.db2.gz DQIVINPSUUIRNK-GGPKGHCWSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)CCO1 ZINC000800337547 581050814 /nfs/dbraw/zinc/05/08/14/581050814.db2.gz DQIVINPSUUIRNK-GGPKGHCWSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C[C@H](O)c3ccccc3)[C@H](C)C2)CCO1 ZINC000800337547 581050815 /nfs/dbraw/zinc/05/08/15/581050815.db2.gz DQIVINPSUUIRNK-GGPKGHCWSA-N 2 2 347.503 1.447 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000801015130 581064058 /nfs/dbraw/zinc/06/40/58/581064058.db2.gz OEOCAXCIVJAKLH-OAHLLOKOSA-N 2 2 328.416 1.519 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC3CC[NH2+]CC3)C2)c1 ZINC000891961374 590709885 /nfs/dbraw/zinc/70/98/85/590709885.db2.gz MYGSFAABKVGHLM-GOSISDBHSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC3CC[NH2+]CC3)C2)c1 ZINC000891961374 590709888 /nfs/dbraw/zinc/70/98/88/590709888.db2.gz MYGSFAABKVGHLM-GOSISDBHSA-N 2 2 346.475 1.247 20 0 EDADLP Nc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)c[nH+]1 ZINC000891966013 590712748 /nfs/dbraw/zinc/71/27/48/590712748.db2.gz MBLUQQMXPYZETI-AWEZNQCLSA-N 2 2 328.869 1.937 20 0 EDADLP O=C(NCC[NH2+]C1CC1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000891988531 590728095 /nfs/dbraw/zinc/72/80/95/590728095.db2.gz ILOIPIWOLAWFJQ-UHFFFAOYSA-N 2 2 335.477 1.186 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@H]2CCc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000893354091 590799051 /nfs/dbraw/zinc/79/90/51/590799051.db2.gz DTXKBAOCLFRIRV-QZTJIDSGSA-N 2 2 343.471 1.239 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000892176508 590846411 /nfs/dbraw/zinc/84/64/11/590846411.db2.gz VQZORDMFZSQQDG-GZBFAFLISA-N 2 2 344.297 1.398 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000892176508 590846414 /nfs/dbraw/zinc/84/64/14/590846414.db2.gz VQZORDMFZSQQDG-GZBFAFLISA-N 2 2 344.297 1.398 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)COCC2 ZINC000892236373 590880264 /nfs/dbraw/zinc/88/02/64/590880264.db2.gz SOHWSXXMXXZLJB-RDTXWAMCSA-N 2 2 330.476 1.942 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)COCC2 ZINC000892236373 590880265 /nfs/dbraw/zinc/88/02/65/590880265.db2.gz SOHWSXXMXXZLJB-RDTXWAMCSA-N 2 2 330.476 1.942 20 0 EDADLP Cn1nc2c(c1C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)COCC2 ZINC000892236373 590880267 /nfs/dbraw/zinc/88/02/67/590880267.db2.gz SOHWSXXMXXZLJB-RDTXWAMCSA-N 2 2 330.476 1.942 20 0 EDADLP Cn1nc2c(c1C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)COCC2 ZINC000892236373 590880271 /nfs/dbraw/zinc/88/02/71/590880271.db2.gz SOHWSXXMXXZLJB-RDTXWAMCSA-N 2 2 330.476 1.942 20 0 EDADLP C[N@H+](CC(=O)OCC[NH+]1CC(C)(C)OC(C)(C)C1)[C@H]1CCSC1 ZINC000893478400 590898499 /nfs/dbraw/zinc/89/84/99/590898499.db2.gz LJGSSONWOKEHGG-AWEZNQCLSA-N 2 2 344.521 1.856 20 0 EDADLP C[N@@H+](CC(=O)OCC[NH+]1CC(C)(C)OC(C)(C)C1)[C@H]1CCSC1 ZINC000893478400 590898502 /nfs/dbraw/zinc/89/85/02/590898502.db2.gz LJGSSONWOKEHGG-AWEZNQCLSA-N 2 2 344.521 1.856 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000909397159 590942029 /nfs/dbraw/zinc/94/20/29/590942029.db2.gz OGPFJXQLFCHPGI-IAGOWNOFSA-N 2 2 336.524 1.536 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000909397159 590942031 /nfs/dbraw/zinc/94/20/31/590942031.db2.gz OGPFJXQLFCHPGI-IAGOWNOFSA-N 2 2 336.524 1.536 20 0 EDADLP CC1(C)CC[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)[NH2+]C1 ZINC000892383364 591003911 /nfs/dbraw/zinc/00/39/11/591003911.db2.gz IZVFQJWZIMMLCH-HOTGVXAUSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000892609400 591093414 /nfs/dbraw/zinc/09/34/14/591093414.db2.gz OVKYZJVGTSPGMH-WMZOPIPTSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)c1 ZINC000892609400 591093418 /nfs/dbraw/zinc/09/34/18/591093418.db2.gz OVKYZJVGTSPGMH-WMZOPIPTSA-N 2 2 346.475 1.199 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000892610875 591095190 /nfs/dbraw/zinc/09/51/90/591095190.db2.gz GZYVWBMCBAAQGK-MSOLQXFVSA-N 2 2 346.475 1.199 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)C1 ZINC000892610875 591095193 /nfs/dbraw/zinc/09/51/93/591095193.db2.gz GZYVWBMCBAAQGK-MSOLQXFVSA-N 2 2 346.475 1.199 20 0 EDADLP [NH3+][C@@H]1CCN(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)C1 ZINC000892709083 591142893 /nfs/dbraw/zinc/14/28/93/591142893.db2.gz CBUZGRJSPZYDCD-QGZVFWFLSA-N 2 2 339.443 1.831 20 0 EDADLP C[N@H+]1C[C@H]2CN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)C[C@H]2C1 ZINC000892731702 591152154 /nfs/dbraw/zinc/15/21/54/591152154.db2.gz SKGIVBJDCUSJTM-PHIMTYICSA-N 2 2 331.342 1.148 20 0 EDADLP C[N@@H+]1C[C@H]2CN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)C[C@H]2C1 ZINC000892731702 591152156 /nfs/dbraw/zinc/15/21/56/591152156.db2.gz SKGIVBJDCUSJTM-PHIMTYICSA-N 2 2 331.342 1.148 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892804015 591183349 /nfs/dbraw/zinc/18/33/49/591183349.db2.gz YVWDDIMZFYTDEB-DLBZAZTESA-N 2 2 339.443 1.634 20 0 EDADLP Nc1nc(NCC[NH+]2CCN(c3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000891746328 591207916 /nfs/dbraw/zinc/20/79/16/591207916.db2.gz SSBKRTNLUSASKC-UHFFFAOYSA-N 2 2 339.447 1.565 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)cn21 ZINC000892937361 591230422 /nfs/dbraw/zinc/23/04/22/591230422.db2.gz QDZAANWCIHFWOW-KDOFPFPSSA-N 2 2 327.432 1.736 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)cn21 ZINC000892937361 591230424 /nfs/dbraw/zinc/23/04/24/591230424.db2.gz QDZAANWCIHFWOW-KDOFPFPSSA-N 2 2 327.432 1.736 20 0 EDADLP CO[C@@](C)(C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000895685988 591248674 /nfs/dbraw/zinc/24/86/74/591248674.db2.gz PEGXQUWVBNDDGF-ROUUACIJSA-N 2 2 325.497 1.188 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[N@@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000894266151 591256863 /nfs/dbraw/zinc/25/68/63/591256863.db2.gz ZXVSUCJDSCMDKO-BRWVUGGUSA-N 2 2 342.455 1.664 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[N@H+]1CCC[C@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000894266151 591256867 /nfs/dbraw/zinc/25/68/67/591256867.db2.gz ZXVSUCJDSCMDKO-BRWVUGGUSA-N 2 2 342.455 1.664 20 0 EDADLP CSCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000893021471 591257051 /nfs/dbraw/zinc/25/70/51/591257051.db2.gz FSXOSORJYQGGDL-ZDUSSCGKSA-N 2 2 328.526 1.596 20 0 EDADLP CSCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000893021471 591257053 /nfs/dbraw/zinc/25/70/53/591257053.db2.gz FSXOSORJYQGGDL-ZDUSSCGKSA-N 2 2 328.526 1.596 20 0 EDADLP COc1nccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1F ZINC000893031908 591259611 /nfs/dbraw/zinc/25/96/11/591259611.db2.gz YWFIJYZRVRELFW-LJQANCHMSA-N 2 2 345.418 1.956 20 0 EDADLP COc1nccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000893031908 591259613 /nfs/dbraw/zinc/25/96/13/591259613.db2.gz YWFIJYZRVRELFW-LJQANCHMSA-N 2 2 345.418 1.956 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCc2cn(C)c[nH+]2)cc1 ZINC000895976616 591313725 /nfs/dbraw/zinc/31/37/25/591313725.db2.gz IMLAFICVDFLPLJ-INIZCTEOSA-N 2 2 343.431 1.502 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCc2cn(C)c[nH+]2)cc1 ZINC000895976616 591313728 /nfs/dbraw/zinc/31/37/28/591313728.db2.gz IMLAFICVDFLPLJ-INIZCTEOSA-N 2 2 343.431 1.502 20 0 EDADLP Cc1cc(F)ncc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000896030091 591327298 /nfs/dbraw/zinc/32/72/98/591327298.db2.gz HYGNPMQUOPBSST-KRWDZBQOSA-N 2 2 336.455 1.415 20 0 EDADLP Cc1c[nH]c(-c2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)[nH+]1 ZINC000898386412 591338414 /nfs/dbraw/zinc/33/84/14/591338414.db2.gz YLHUVHMCMAVGLX-INIZCTEOSA-N 2 2 325.416 1.714 20 0 EDADLP Cc1c[nH]c(-c2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)[nH+]1 ZINC000898386412 591338417 /nfs/dbraw/zinc/33/84/17/591338417.db2.gz YLHUVHMCMAVGLX-INIZCTEOSA-N 2 2 325.416 1.714 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000898495863 591379044 /nfs/dbraw/zinc/37/90/44/591379044.db2.gz VCDIOGTZGOGTTP-QZTJIDSGSA-N 2 2 349.450 1.438 20 0 EDADLP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000898495863 591379049 /nfs/dbraw/zinc/37/90/49/591379049.db2.gz VCDIOGTZGOGTTP-QZTJIDSGSA-N 2 2 349.450 1.438 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000896256973 591399813 /nfs/dbraw/zinc/39/98/13/591399813.db2.gz CDKUDWOFNGJBNA-UHFFFAOYSA-N 2 2 336.480 1.932 20 0 EDADLP Cn1nncc1C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894784941 591417975 /nfs/dbraw/zinc/41/79/75/591417975.db2.gz OZWTWYVYKAFTDX-UHFFFAOYSA-N 2 2 339.346 1.488 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3C[C@H]4CC[C@@H](C3)S4)C2)CC1 ZINC000896326280 591420253 /nfs/dbraw/zinc/42/02/53/591420253.db2.gz XBDRMAOZMWJWNJ-MDKVJWTPSA-N 2 2 337.533 1.945 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3C[C@H]4CC[C@@H](C3)S4)C2)CC1 ZINC000896326280 591420256 /nfs/dbraw/zinc/42/02/56/591420256.db2.gz XBDRMAOZMWJWNJ-MDKVJWTPSA-N 2 2 337.533 1.945 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000894815328 591428130 /nfs/dbraw/zinc/42/81/30/591428130.db2.gz KQMKWJHXSYWTEE-HUUCEWRRSA-N 2 2 327.469 1.479 20 0 EDADLP O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)C1 ZINC000898725242 591490820 /nfs/dbraw/zinc/49/08/20/591490820.db2.gz SANASEXXSVPOIT-VHSXEESVSA-N 2 2 348.266 1.127 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[nH]n1 ZINC000897577490 591564827 /nfs/dbraw/zinc/56/48/27/591564827.db2.gz XLVXWXOMZYIHPF-RHSMWYFYSA-N 2 2 331.464 1.923 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[nH]n1 ZINC000897577490 591564832 /nfs/dbraw/zinc/56/48/32/591564832.db2.gz XLVXWXOMZYIHPF-RHSMWYFYSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[nH]n1 ZINC000897577490 591564837 /nfs/dbraw/zinc/56/48/37/591564837.db2.gz XLVXWXOMZYIHPF-RHSMWYFYSA-N 2 2 331.464 1.923 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000898961633 591618009 /nfs/dbraw/zinc/61/80/09/591618009.db2.gz IEJKUCKOKFBBHZ-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC(OCCC[NH+](C)C)CC2)c[nH+]1 ZINC000896843886 591630064 /nfs/dbraw/zinc/63/00/64/591630064.db2.gz FMRFMMLNCQXCGR-UHFFFAOYSA-N 2 2 336.480 1.886 20 0 EDADLP C[C@H](CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000895290554 591704233 /nfs/dbraw/zinc/70/42/33/591704233.db2.gz LZHOPQOVEDOXQR-QGZVFWFLSA-N 3 2 335.492 1.827 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c[nH+]1 ZINC000897023306 591717266 /nfs/dbraw/zinc/71/72/66/591717266.db2.gz UMBYSVHKJRJCSF-UHFFFAOYSA-N 2 2 327.432 1.979 20 0 EDADLP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000899224138 591741360 /nfs/dbraw/zinc/74/13/60/591741360.db2.gz VGIXSCUSUBYWLG-HUUCEWRRSA-N 2 2 334.464 1.863 20 0 EDADLP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000899224138 591741365 /nfs/dbraw/zinc/74/13/65/591741365.db2.gz VGIXSCUSUBYWLG-HUUCEWRRSA-N 2 2 334.464 1.863 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000895410954 591747440 /nfs/dbraw/zinc/74/74/40/591747440.db2.gz KPSXTQICPLNMJB-ZIAGYGMSSA-N 2 2 346.418 1.618 20 0 EDADLP CCCCNc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC000897220437 591775741 /nfs/dbraw/zinc/77/57/41/591775741.db2.gz BFUTUMNJYTXFDV-KGLIPLIRSA-N 2 2 334.468 1.306 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c[nH+]1 ZINC000898207543 591817944 /nfs/dbraw/zinc/81/79/44/591817944.db2.gz MPLYPSVDDYQYRU-HUUCEWRRSA-N 2 2 334.464 1.542 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900136934 591914071 /nfs/dbraw/zinc/91/40/71/591914071.db2.gz HULYEGJDWMNARN-IAGOWNOFSA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900136934 591914073 /nfs/dbraw/zinc/91/40/73/591914073.db2.gz HULYEGJDWMNARN-IAGOWNOFSA-N 2 2 344.459 1.551 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C[NH+](C)C)C1 ZINC000900171624 591926514 /nfs/dbraw/zinc/92/65/14/591926514.db2.gz NIADZEIAZJFPPB-MRXNPFEDSA-N 2 2 347.459 1.962 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C[NH+](C)C)C1 ZINC000900171624 591926515 /nfs/dbraw/zinc/92/65/15/591926515.db2.gz NIADZEIAZJFPPB-MRXNPFEDSA-N 2 2 347.459 1.962 20 0 EDADLP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)c2cccc(Cl)c2)CC1 ZINC000902176419 591932333 /nfs/dbraw/zinc/93/23/33/591932333.db2.gz KMDCIAOYLADXRF-UHFFFAOYSA-N 2 2 338.839 1.787 20 0 EDADLP CC(C)(C[NH2+]C[C@@H](O)C1(O)CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000899866144 591968666 /nfs/dbraw/zinc/96/86/66/591968666.db2.gz MIGXJPRBZKDUND-GOSISDBHSA-N 2 2 348.487 1.315 20 0 EDADLP CC(C)(C[NH2+]C[C@@H](O)C1(O)CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000899866144 591968669 /nfs/dbraw/zinc/96/86/69/591968669.db2.gz MIGXJPRBZKDUND-GOSISDBHSA-N 2 2 348.487 1.315 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC23CC[NH+](C)CC3)c1 ZINC000899911102 591979376 /nfs/dbraw/zinc/97/93/76/591979376.db2.gz QFHWEEFWTYAXRA-QGZVFWFLSA-N 2 2 332.444 1.799 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)c1 ZINC000899911102 591979379 /nfs/dbraw/zinc/97/93/79/591979379.db2.gz QFHWEEFWTYAXRA-QGZVFWFLSA-N 2 2 332.444 1.799 20 0 EDADLP C/C(=C\C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900299279 591979499 /nfs/dbraw/zinc/97/94/99/591979499.db2.gz CZJZRNKKKCFHOV-XEYRCQSKSA-N 2 2 345.487 1.554 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1([NH3+])CC1 ZINC000902359565 591986328 /nfs/dbraw/zinc/98/63/28/591986328.db2.gz CIIAMCOWZAIUHO-ZDUSSCGKSA-N 2 2 336.867 1.458 20 0 EDADLP C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)C1([NH3+])CC1 ZINC000902459160 592000133 /nfs/dbraw/zinc/00/01/33/592000133.db2.gz XWCOCOXCGYKKRV-OIBJUYFYSA-N 2 2 325.210 1.177 20 0 EDADLP C/C(=C/C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)C[NH+]1CCOCC1 ZINC000900379162 592001751 /nfs/dbraw/zinc/00/17/51/592001751.db2.gz HHPKLFAHYJTSHF-LGMDPLHJSA-N 2 2 337.508 1.844 20 0 EDADLP C/C(=C/C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)C[NH+]1CCOCC1 ZINC000900379162 592001754 /nfs/dbraw/zinc/00/17/54/592001754.db2.gz HHPKLFAHYJTSHF-LGMDPLHJSA-N 2 2 337.508 1.844 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(CCc3noc4ccccc34)nn2)CC1 ZINC000900571213 592055453 /nfs/dbraw/zinc/05/54/53/592055453.db2.gz ZLWIPBHHROLFAN-UHFFFAOYSA-N 2 2 340.431 1.846 20 0 EDADLP CC1(C)C[N@@H+](C2(CNC(=O)Cc3c[nH+]c[nH]3)CCCCC2)CCO1 ZINC000900632660 592077555 /nfs/dbraw/zinc/07/75/55/592077555.db2.gz CNVYLSJVGSDNCB-UHFFFAOYSA-N 2 2 334.464 1.882 20 0 EDADLP CC1(C)C[N@H+](C2(CNC(=O)Cc3c[nH+]c[nH]3)CCCCC2)CCO1 ZINC000900632660 592077558 /nfs/dbraw/zinc/07/75/58/592077558.db2.gz CNVYLSJVGSDNCB-UHFFFAOYSA-N 2 2 334.464 1.882 20 0 EDADLP CC1(C)C[N@@H+](C2(CNC(=O)Cc3c[nH]c[nH+]3)CCCCC2)CCO1 ZINC000900632660 592077560 /nfs/dbraw/zinc/07/75/60/592077560.db2.gz CNVYLSJVGSDNCB-UHFFFAOYSA-N 2 2 334.464 1.882 20 0 EDADLP CC1(C)C[N@H+](C2(CNC(=O)Cc3c[nH]c[nH+]3)CCCCC2)CCO1 ZINC000900632660 592077562 /nfs/dbraw/zinc/07/75/62/592077562.db2.gz CNVYLSJVGSDNCB-UHFFFAOYSA-N 2 2 334.464 1.882 20 0 EDADLP CCCn1cc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)nn1 ZINC000902889765 592080033 /nfs/dbraw/zinc/08/00/33/592080033.db2.gz QHLIBUVPNDYYQK-CQSZACIVSA-N 2 2 332.452 1.874 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000900660226 592084102 /nfs/dbraw/zinc/08/41/02/592084102.db2.gz RXDBLNGHORAYHY-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CC)C1 ZINC000900660226 592084108 /nfs/dbraw/zinc/08/41/08/592084108.db2.gz RXDBLNGHORAYHY-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CCCC[N@H+]2CC)C1 ZINC000900660226 592084110 /nfs/dbraw/zinc/08/41/10/592084110.db2.gz RXDBLNGHORAYHY-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000900660522 592084207 /nfs/dbraw/zinc/08/42/07/592084207.db2.gz XEUDDZYTJNZNMF-UHFFFAOYSA-N 2 2 328.416 1.743 20 0 EDADLP C([NH2+][C@@H]1CCO[C@@]12CCOC2)C1([NH+]2CCSCC2)CCCC1 ZINC000903064320 592112301 /nfs/dbraw/zinc/11/23/01/592112301.db2.gz BVAWYRAKZDDXDK-NVXWUHKLSA-N 2 2 326.506 1.886 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)CC1 ZINC000900745078 592116033 /nfs/dbraw/zinc/11/60/33/592116033.db2.gz IWDKEKVMZZWZAG-MSOLQXFVSA-N 2 2 336.524 1.488 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)CC1 ZINC000900745078 592116036 /nfs/dbraw/zinc/11/60/36/592116036.db2.gz IWDKEKVMZZWZAG-MSOLQXFVSA-N 2 2 336.524 1.488 20 0 EDADLP CC(=O)OCc1cccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000903083912 592117169 /nfs/dbraw/zinc/11/71/69/592117169.db2.gz QMDJIPFFOGUUFZ-CQSZACIVSA-N 2 2 333.432 1.174 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903085509 592117637 /nfs/dbraw/zinc/11/76/37/592117637.db2.gz DHTCEPURGGHMIZ-DQXYTYHJSA-N 3 2 348.535 1.677 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903085509 592117640 /nfs/dbraw/zinc/11/76/40/592117640.db2.gz DHTCEPURGGHMIZ-DQXYTYHJSA-N 3 2 348.535 1.677 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903085509 592117642 /nfs/dbraw/zinc/11/76/42/592117642.db2.gz DHTCEPURGGHMIZ-DQXYTYHJSA-N 3 2 348.535 1.677 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903085509 592117646 /nfs/dbraw/zinc/11/76/46/592117646.db2.gz DHTCEPURGGHMIZ-DQXYTYHJSA-N 3 2 348.535 1.677 20 0 EDADLP C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903071397 592119553 /nfs/dbraw/zinc/11/95/53/592119553.db2.gz IGYBVEVUZOIYEK-CYBMUJFWSA-N 2 2 349.460 1.014 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000900788035 592123746 /nfs/dbraw/zinc/12/37/46/592123746.db2.gz TVQZGDPKAQKNRG-HOTGVXAUSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000900788035 592123747 /nfs/dbraw/zinc/12/37/47/592123747.db2.gz TVQZGDPKAQKNRG-HOTGVXAUSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000900788035 592123748 /nfs/dbraw/zinc/12/37/48/592123748.db2.gz TVQZGDPKAQKNRG-HOTGVXAUSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000900788035 592123749 /nfs/dbraw/zinc/12/37/49/592123749.db2.gz TVQZGDPKAQKNRG-HOTGVXAUSA-N 2 2 339.480 1.060 20 0 EDADLP CCc1[nH+]c2ccccc2n1CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900786523 592123808 /nfs/dbraw/zinc/12/38/08/592123808.db2.gz DSGGASOCFAXSDA-LJQANCHMSA-N 2 2 344.459 1.562 20 0 EDADLP CCc1[nH+]c2ccccc2n1CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900786523 592123809 /nfs/dbraw/zinc/12/38/09/592123809.db2.gz DSGGASOCFAXSDA-LJQANCHMSA-N 2 2 344.459 1.562 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000903130595 592125077 /nfs/dbraw/zinc/12/50/77/592125077.db2.gz LATQNWNPMWUVOD-XNISGKROSA-N 2 2 333.480 1.694 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000903130595 592125078 /nfs/dbraw/zinc/12/50/78/592125078.db2.gz LATQNWNPMWUVOD-XNISGKROSA-N 2 2 333.480 1.694 20 0 EDADLP C[C@H]1CCC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)[C@H]1C[NH3+] ZINC000903425268 592167606 /nfs/dbraw/zinc/16/76/06/592167606.db2.gz YYVOGLCJGGQGNX-YOEHRIQHSA-N 2 2 345.443 1.358 20 0 EDADLP C[C@H]1CCC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)[C@H]1C[NH3+] ZINC000903425268 592167607 /nfs/dbraw/zinc/16/76/07/592167607.db2.gz YYVOGLCJGGQGNX-YOEHRIQHSA-N 2 2 345.443 1.358 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000900949912 592174240 /nfs/dbraw/zinc/17/42/40/592174240.db2.gz TYUUAXZVNQPQRD-ZDUSSCGKSA-N 2 2 334.420 1.361 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000900949912 592174243 /nfs/dbraw/zinc/17/42/43/592174243.db2.gz TYUUAXZVNQPQRD-ZDUSSCGKSA-N 2 2 334.420 1.361 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000903457328 592174226 /nfs/dbraw/zinc/17/42/26/592174226.db2.gz QRTJOUCHCMTAAX-IJEWVQPXSA-N 2 2 329.510 1.168 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000903457328 592174228 /nfs/dbraw/zinc/17/42/28/592174228.db2.gz QRTJOUCHCMTAAX-IJEWVQPXSA-N 2 2 329.510 1.168 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@H]1CCOc2ccccc21 ZINC000903468228 592174542 /nfs/dbraw/zinc/17/45/42/592174542.db2.gz IQRMGSVPBPXAKM-JLJPHGGASA-N 2 2 329.444 1.889 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000901023172 592202045 /nfs/dbraw/zinc/20/20/45/592202045.db2.gz RANUKZWSMCUHOD-ARFHVFGLSA-N 2 2 339.480 1.106 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000901023172 592202048 /nfs/dbraw/zinc/20/20/48/592202048.db2.gz RANUKZWSMCUHOD-ARFHVFGLSA-N 2 2 339.480 1.106 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000901023172 592202050 /nfs/dbraw/zinc/20/20/50/592202050.db2.gz RANUKZWSMCUHOD-ARFHVFGLSA-N 2 2 339.480 1.106 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000901023172 592202052 /nfs/dbraw/zinc/20/20/52/592202052.db2.gz RANUKZWSMCUHOD-ARFHVFGLSA-N 2 2 339.480 1.106 20 0 EDADLP C/C(=C/C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C[NH+]1CCOCC1 ZINC000901038596 592207197 /nfs/dbraw/zinc/20/71/97/592207197.db2.gz DKHHMZLJTPJKQA-VIVNAEHYSA-N 2 2 332.448 1.571 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)C2=Cc3ccccc3CC2)CC1 ZINC000903566436 592212838 /nfs/dbraw/zinc/21/28/38/592212838.db2.gz UJLWENZLNGVPBZ-UHFFFAOYSA-N 2 2 335.473 1.316 20 0 EDADLP CC[C@H](C)c1ccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000903568717 592223722 /nfs/dbraw/zinc/22/37/22/592223722.db2.gz NWCOCDWRBGURMU-AWEZNQCLSA-N 2 2 339.505 1.902 20 0 EDADLP COC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000904331979 592232632 /nfs/dbraw/zinc/23/26/32/592232632.db2.gz OUFOWOQEGBGRDB-OAHLLOKOSA-N 2 2 329.404 1.539 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)nc1F ZINC000906678752 592259857 /nfs/dbraw/zinc/25/98/57/592259857.db2.gz UFHFTOFUONHBFM-UHFFFAOYSA-N 2 2 342.846 1.972 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)nc1F ZINC000906678752 592259858 /nfs/dbraw/zinc/25/98/58/592259858.db2.gz UFHFTOFUONHBFM-UHFFFAOYSA-N 2 2 342.846 1.972 20 0 EDADLP O=C(c1ccco1)N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903718075 592280746 /nfs/dbraw/zinc/28/07/46/592280746.db2.gz ZENPKGYJKHIEHQ-HNNXBMFYSA-N 2 2 333.432 1.196 20 0 EDADLP c1ccc(OCC[NH+]2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903732792 592288317 /nfs/dbraw/zinc/28/83/17/592288317.db2.gz HOKYXYNFCXQTFO-UXHICEINSA-N 2 2 345.487 1.452 20 0 EDADLP c1cn(-c2cc(-c3noc([C@]45C[NH2+]C[C@H]4CCOC5)n3)ccn2)c[nH+]1 ZINC000904594382 592292567 /nfs/dbraw/zinc/29/25/67/592292567.db2.gz AEBAMSGAPOYLBB-DYVFJYSZSA-N 2 2 338.371 1.195 20 0 EDADLP Cn1ccnc1C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@H]1CC12CC[NH2+]CC2 ZINC000903746483 592293543 /nfs/dbraw/zinc/29/35/43/592293543.db2.gz ZGMLBPBGWYWYKK-TWMKSMIVSA-N 2 2 346.475 1.168 20 0 EDADLP Cn1ccnc1C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@H]1CC12CC[NH2+]CC2 ZINC000903746483 592293546 /nfs/dbraw/zinc/29/35/46/592293546.db2.gz ZGMLBPBGWYWYKK-TWMKSMIVSA-N 2 2 346.475 1.168 20 0 EDADLP CC(C)([NH3+])c1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000904601165 592293617 /nfs/dbraw/zinc/29/36/17/592293617.db2.gz CESXAGAWWMQDLL-INIZCTEOSA-N 2 2 332.448 1.819 20 0 EDADLP C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000901232676 592296489 /nfs/dbraw/zinc/29/64/89/592296489.db2.gz GQPLNKOKJAZGKU-ZXWHEUEYSA-N 2 2 343.471 1.827 20 0 EDADLP C/C(=C/C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000901232676 592296492 /nfs/dbraw/zinc/29/64/92/592296492.db2.gz GQPLNKOKJAZGKU-ZXWHEUEYSA-N 2 2 343.471 1.827 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc(C[C@H]([NH3+])C(F)F)n3)cn2)CC1 ZINC000904661450 592308802 /nfs/dbraw/zinc/30/88/02/592308802.db2.gz YTMHBTRBNOVILZ-NSHDSACASA-N 2 2 338.362 1.018 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903756148 592313258 /nfs/dbraw/zinc/31/32/58/592313258.db2.gz PBZXFNKBAACBRL-NVXWUHKLSA-N 2 2 343.537 1.703 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903756148 592313262 /nfs/dbraw/zinc/31/32/62/592313262.db2.gz PBZXFNKBAACBRL-NVXWUHKLSA-N 2 2 343.537 1.703 20 0 EDADLP COc1ccc([C@@H]2COCC[N@@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903780158 592319953 /nfs/dbraw/zinc/31/99/53/592319953.db2.gz DXMFRRCMUDXMDF-FHWLQOOXSA-N 2 2 332.444 1.837 20 0 EDADLP COc1ccc([C@@H]2COCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903780158 592319958 /nfs/dbraw/zinc/31/99/58/592319958.db2.gz DXMFRRCMUDXMDF-FHWLQOOXSA-N 2 2 332.444 1.837 20 0 EDADLP [NH3+]CC[C@H]1CC[N@H+](CCS(=O)(=O)c2nc3ccccc3s2)C1 ZINC000903788340 592322649 /nfs/dbraw/zinc/32/26/49/592322649.db2.gz IVSMCJPHRAXTHG-LBPRGKRZSA-N 2 2 339.486 1.741 20 0 EDADLP [NH3+]CC[C@H]1CC[N@@H+](CCS(=O)(=O)c2nc3ccccc3s2)C1 ZINC000903788340 592322653 /nfs/dbraw/zinc/32/26/53/592322653.db2.gz IVSMCJPHRAXTHG-LBPRGKRZSA-N 2 2 339.486 1.741 20 0 EDADLP O=c1[nH]c(CC[N@@H+]2CC[NH2+]CCC23CCOCC3)nc2ccccc21 ZINC000903816243 592324464 /nfs/dbraw/zinc/32/44/64/592324464.db2.gz VQAVDRAJIRXTTL-UHFFFAOYSA-N 2 2 342.443 1.722 20 0 EDADLP O=c1[nH]c(CC[N@H+]2CC[NH2+]CCC23CCOCC3)nc2ccccc21 ZINC000903816243 592324468 /nfs/dbraw/zinc/32/44/68/592324468.db2.gz VQAVDRAJIRXTTL-UHFFFAOYSA-N 2 2 342.443 1.722 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000903843469 592343260 /nfs/dbraw/zinc/34/32/60/592343260.db2.gz LMUBICVSKABUNN-FHWLQOOXSA-N 3 2 342.487 1.142 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000903843469 592343265 /nfs/dbraw/zinc/34/32/65/592343265.db2.gz LMUBICVSKABUNN-FHWLQOOXSA-N 3 2 342.487 1.142 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1cccc(C(=O)NC3CC3)c1)C2 ZINC000903847574 592344471 /nfs/dbraw/zinc/34/44/71/592344471.db2.gz KTCYJQUDZLZSHF-QEORTHHSSA-N 2 2 342.443 1.329 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1cccc(C(=O)NC3CC3)c1)C2 ZINC000903847574 592344473 /nfs/dbraw/zinc/34/44/73/592344473.db2.gz KTCYJQUDZLZSHF-QEORTHHSSA-N 2 2 342.443 1.329 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903891471 592352848 /nfs/dbraw/zinc/35/28/48/592352848.db2.gz ARTCAZNJIXMPGQ-CVEARBPZSA-N 3 2 343.479 1.799 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903891471 592352852 /nfs/dbraw/zinc/35/28/52/592352852.db2.gz ARTCAZNJIXMPGQ-CVEARBPZSA-N 3 2 343.479 1.799 20 0 EDADLP CCc1nnc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)[nH]1 ZINC000903872011 592354220 /nfs/dbraw/zinc/35/42/20/592354220.db2.gz AKJCHUJHLPKNIO-MRXNPFEDSA-N 2 2 327.432 1.586 20 0 EDADLP CCc1nnc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)[nH]1 ZINC000903872011 592354226 /nfs/dbraw/zinc/35/42/26/592354226.db2.gz AKJCHUJHLPKNIO-MRXNPFEDSA-N 2 2 327.432 1.586 20 0 EDADLP CCc1nc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)n[nH]1 ZINC000903872011 592354232 /nfs/dbraw/zinc/35/42/32/592354232.db2.gz AKJCHUJHLPKNIO-MRXNPFEDSA-N 2 2 327.432 1.586 20 0 EDADLP CCc1nc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)n[nH]1 ZINC000903872011 592354236 /nfs/dbraw/zinc/35/42/36/592354236.db2.gz AKJCHUJHLPKNIO-MRXNPFEDSA-N 2 2 327.432 1.586 20 0 EDADLP Cc1noc(C2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000903885927 592363790 /nfs/dbraw/zinc/36/37/90/592363790.db2.gz MBUUJUVLSSEIMA-AWEZNQCLSA-N 2 2 331.424 1.274 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cnn1C ZINC000903934671 592386470 /nfs/dbraw/zinc/38/64/70/592386470.db2.gz IEPJDNITCVESMD-OAHLLOKOSA-N 2 2 342.491 1.818 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCc3nc(C(C)C)ncc3C2)cnn1C ZINC000903934671 592386477 /nfs/dbraw/zinc/38/64/77/592386477.db2.gz IEPJDNITCVESMD-OAHLLOKOSA-N 2 2 342.491 1.818 20 0 EDADLP CN1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)Cc2cccnc21 ZINC000903937656 592387258 /nfs/dbraw/zinc/38/72/58/592387258.db2.gz PBGHDMPOXADYAI-OAHLLOKOSA-N 2 2 327.436 1.050 20 0 EDADLP CN1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)Cc2cccnc21 ZINC000903937656 592387261 /nfs/dbraw/zinc/38/72/61/592387261.db2.gz PBGHDMPOXADYAI-OAHLLOKOSA-N 2 2 327.436 1.050 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1coc(C[NH+]2CC[C@H](O)C2)n1 ZINC000908256821 592393096 /nfs/dbraw/zinc/39/30/96/592393096.db2.gz HWEVTZIMOVLHPW-KGLIPLIRSA-N 2 2 338.452 1.091 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1coc(C[NH+]2CC[C@H](O)C2)n1 ZINC000908256821 592393099 /nfs/dbraw/zinc/39/30/99/592393099.db2.gz HWEVTZIMOVLHPW-KGLIPLIRSA-N 2 2 338.452 1.091 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000908256821 592393103 /nfs/dbraw/zinc/39/31/03/592393103.db2.gz HWEVTZIMOVLHPW-KGLIPLIRSA-N 2 2 338.452 1.091 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000908256821 592393106 /nfs/dbraw/zinc/39/31/06/592393106.db2.gz HWEVTZIMOVLHPW-KGLIPLIRSA-N 2 2 338.452 1.091 20 0 EDADLP c1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)oc1C[NH+]1CCOCC1 ZINC000904076246 592421367 /nfs/dbraw/zinc/42/13/67/592421367.db2.gz YTVVPALQQDJLAX-CYBMUJFWSA-N 2 2 332.404 1.704 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905366790 592516665 /nfs/dbraw/zinc/51/66/65/592516665.db2.gz VHVOKAUBESPVMW-IRXDYDNUSA-N 2 2 347.459 1.344 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905366790 592516666 /nfs/dbraw/zinc/51/66/66/592516666.db2.gz VHVOKAUBESPVMW-IRXDYDNUSA-N 2 2 347.459 1.344 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905366791 592516715 /nfs/dbraw/zinc/51/67/15/592516715.db2.gz VHVOKAUBESPVMW-SJORKVTESA-N 2 2 347.459 1.344 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905366791 592516716 /nfs/dbraw/zinc/51/67/16/592516716.db2.gz VHVOKAUBESPVMW-SJORKVTESA-N 2 2 347.459 1.344 20 0 EDADLP CCN1C[C@@H](C[N@H+](C)C[C@H](O)C[NH+]2CCCC2)Oc2ccccc21 ZINC000908553117 592535853 /nfs/dbraw/zinc/53/58/53/592535853.db2.gz NZPLYQULSAVLPV-DLBZAZTESA-N 2 2 333.476 1.662 20 0 EDADLP CCN1C[C@@H](C[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)Oc2ccccc21 ZINC000908553117 592535857 /nfs/dbraw/zinc/53/58/57/592535857.db2.gz NZPLYQULSAVLPV-DLBZAZTESA-N 2 2 333.476 1.662 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)COc1ccccc1F ZINC000905625394 592589282 /nfs/dbraw/zinc/58/92/82/592589282.db2.gz QCOJEKTUDAXVJA-HZPDHXFCSA-N 2 2 338.423 1.408 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)COc1ccccc1F ZINC000905625394 592589283 /nfs/dbraw/zinc/58/92/83/592589283.db2.gz QCOJEKTUDAXVJA-HZPDHXFCSA-N 2 2 338.423 1.408 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N(C)C3(C[NH3+])CCCCC3)nc[nH+]2)C1 ZINC000905657105 592598745 /nfs/dbraw/zinc/59/87/45/592598745.db2.gz CSVQWXZQNXRTLE-CABCVRRESA-N 2 2 333.480 1.782 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2nonc2c1 ZINC000905672419 592607423 /nfs/dbraw/zinc/60/74/23/592607423.db2.gz VVCBOBKDWNYDEK-MRXNPFEDSA-N 2 2 326.400 1.805 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2nonc2c1 ZINC000905672419 592607426 /nfs/dbraw/zinc/60/74/26/592607426.db2.gz VVCBOBKDWNYDEK-MRXNPFEDSA-N 2 2 326.400 1.805 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@H]2C[NH2+]CCC2(F)F)[nH+]cn1 ZINC000905679898 592610147 /nfs/dbraw/zinc/61/01/47/592610147.db2.gz ZBOQMSNEYHRVSX-NEPJUHHUSA-N 2 2 327.379 1.094 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@H]2C[NH2+]CCC2(F)F)nc[nH+]1 ZINC000905679898 592610148 /nfs/dbraw/zinc/61/01/48/592610148.db2.gz ZBOQMSNEYHRVSX-NEPJUHHUSA-N 2 2 327.379 1.094 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)ccc2n1[C@@H](C)CO ZINC000909289326 592791417 /nfs/dbraw/zinc/79/14/17/592791417.db2.gz PALHYRBOYHCSFJ-MIUNTBIASA-N 2 2 346.431 1.292 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)ccc2n1[C@@H](C)CO ZINC000909289326 592791419 /nfs/dbraw/zinc/79/14/19/592791419.db2.gz PALHYRBOYHCSFJ-MIUNTBIASA-N 2 2 346.431 1.292 20 0 EDADLP CCCC[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000906527845 592841589 /nfs/dbraw/zinc/84/15/89/592841589.db2.gz OKUFANJDQJAXJY-OAHLLOKOSA-N 2 2 333.480 1.223 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)co2)C1 ZINC000906530245 592845133 /nfs/dbraw/zinc/84/51/33/592845133.db2.gz XPCXLEZUOVSPAV-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000906641313 592864847 /nfs/dbraw/zinc/86/48/47/592864847.db2.gz FQYZUGGNIAZAJY-ROUUACIJSA-N 2 2 337.508 1.822 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000906641313 592864848 /nfs/dbraw/zinc/86/48/48/592864848.db2.gz FQYZUGGNIAZAJY-ROUUACIJSA-N 2 2 337.508 1.822 20 0 EDADLP C[N@@H+](Cc1nc2ccc(Br)cc2s1)C[C@@H](O)C[NH3+] ZINC000841094316 592867120 /nfs/dbraw/zinc/86/71/20/592867120.db2.gz WSUWPNWSIFITRM-VIFPVBQESA-N 2 2 330.251 1.810 20 0 EDADLP C[N@H+](Cc1nc2ccc(Br)cc2s1)C[C@@H](O)C[NH3+] ZINC000841094316 592867121 /nfs/dbraw/zinc/86/71/21/592867121.db2.gz WSUWPNWSIFITRM-VIFPVBQESA-N 2 2 330.251 1.810 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000911169513 592947674 /nfs/dbraw/zinc/94/76/74/592947674.db2.gz ZTHMZEOHIBZUAK-MRXNPFEDSA-N 2 2 333.432 1.590 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000911169513 592947676 /nfs/dbraw/zinc/94/76/76/592947676.db2.gz ZTHMZEOHIBZUAK-MRXNPFEDSA-N 2 2 333.432 1.590 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc(C)[nH+]1 ZINC000911313571 592997251 /nfs/dbraw/zinc/99/72/51/592997251.db2.gz GGYVGVFJUYDLFL-CRAIPNDOSA-N 2 2 330.432 1.045 20 0 EDADLP [NH3+][C@@H](CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)C(F)F ZINC000911752861 592997936 /nfs/dbraw/zinc/99/79/36/592997936.db2.gz YIIIGFYRJZKSSA-JQWIXIFHSA-N 2 2 341.358 1.516 20 0 EDADLP Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)C[NH2+]CC[NH3+] ZINC000912358145 593088391 /nfs/dbraw/zinc/08/83/91/593088391.db2.gz ZOHDIKVURIKCAR-OKILXGFUSA-N 2 2 346.475 1.600 20 0 EDADLP CS[C@H]1CN(C(=O)Cc2cn3cc(F)ccc3[nH+]2)C[C@@H]1[NH+](C)C ZINC000867019713 593142106 /nfs/dbraw/zinc/14/21/06/593142106.db2.gz UIUXVQWJTPUAES-KBPBESRZSA-N 2 2 336.436 1.520 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3C(=O)C4(CCC4)[C@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087611 593155794 /nfs/dbraw/zinc/15/57/94/593155794.db2.gz LENDVPQPRSPPOV-SCTDSRPQSA-N 2 2 347.503 1.922 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3C(=O)C4(CCC4)[C@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087611 593155796 /nfs/dbraw/zinc/15/57/96/593155796.db2.gz LENDVPQPRSPPOV-SCTDSRPQSA-N 2 2 347.503 1.922 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3C(=O)C4(CCC4)[C@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087611 593155797 /nfs/dbraw/zinc/15/57/97/593155797.db2.gz LENDVPQPRSPPOV-SCTDSRPQSA-N 2 2 347.503 1.922 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3C(=O)C4(CCC4)[C@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087611 593155799 /nfs/dbraw/zinc/15/57/99/593155799.db2.gz LENDVPQPRSPPOV-SCTDSRPQSA-N 2 2 347.503 1.922 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000802138855 593222941 /nfs/dbraw/zinc/22/29/41/593222941.db2.gz QBZUFOHEZDHKAV-HNNXBMFYSA-N 2 2 330.388 1.533 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](COC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000802138855 593222942 /nfs/dbraw/zinc/22/29/42/593222942.db2.gz QBZUFOHEZDHKAV-HNNXBMFYSA-N 2 2 330.388 1.533 20 0 EDADLP O=C1[C@H](C2CC2)[C@H](C2CC2)N1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000839954861 593224287 /nfs/dbraw/zinc/22/42/87/593224287.db2.gz XBERBEIGXBPIGG-MSOLQXFVSA-N 2 2 326.444 1.808 20 0 EDADLP Cn1c[nH+]c(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)c1 ZINC000808381016 593255947 /nfs/dbraw/zinc/25/59/47/593255947.db2.gz KZFVNMRBJRWWFC-UHFFFAOYSA-N 2 2 327.432 1.730 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)C1 ZINC000802734899 593274650 /nfs/dbraw/zinc/27/46/50/593274650.db2.gz VVQBLFWYJSPXRM-GMBSWORKSA-N 2 2 348.491 1.861 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)C1 ZINC000802734899 593274651 /nfs/dbraw/zinc/27/46/51/593274651.db2.gz VVQBLFWYJSPXRM-GMBSWORKSA-N 2 2 348.491 1.861 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)C1 ZINC000802734899 593274652 /nfs/dbraw/zinc/27/46/52/593274652.db2.gz VVQBLFWYJSPXRM-GMBSWORKSA-N 2 2 348.491 1.861 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C(=O)N[C@@](C)(C3CCCC3)C2=O)C1 ZINC000802734899 593274653 /nfs/dbraw/zinc/27/46/53/593274653.db2.gz VVQBLFWYJSPXRM-GMBSWORKSA-N 2 2 348.491 1.861 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCCNC3=O)CC2)cc1 ZINC000839195376 593275175 /nfs/dbraw/zinc/27/51/75/593275175.db2.gz HZPFOJQJWBUCMV-HNNXBMFYSA-N 2 2 330.476 1.837 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030741 593395064 /nfs/dbraw/zinc/39/50/64/593395064.db2.gz MNCWDXWMCOUHFD-GLJHEFQWSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030741 593395067 /nfs/dbraw/zinc/39/50/67/593395067.db2.gz MNCWDXWMCOUHFD-GLJHEFQWSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030741 593395070 /nfs/dbraw/zinc/39/50/70/593395070.db2.gz MNCWDXWMCOUHFD-GLJHEFQWSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030741 593395073 /nfs/dbraw/zinc/39/50/73/593395073.db2.gz MNCWDXWMCOUHFD-GLJHEFQWSA-N 2 2 345.487 1.781 20 0 EDADLP O=C1COc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2N1 ZINC000816549423 593531066 /nfs/dbraw/zinc/53/10/66/593531066.db2.gz NKNQHNYNWLLWEQ-INIZCTEOSA-N 2 2 345.443 1.751 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)N[C@@H](C)COC)CC2)CC1 ZINC000817567226 593613843 /nfs/dbraw/zinc/61/38/43/593613843.db2.gz TVSVDKNWZMMMFY-HNNXBMFYSA-N 2 2 342.553 1.388 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)N[C@@H](C)COC)CC2)CC1 ZINC000817567226 593613845 /nfs/dbraw/zinc/61/38/45/593613845.db2.gz TVSVDKNWZMMMFY-HNNXBMFYSA-N 2 2 342.553 1.388 20 0 EDADLP Cn1ncc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000815122804 593616635 /nfs/dbraw/zinc/61/66/35/593616635.db2.gz SCSXAASWHZXYHW-UHFFFAOYSA-N 3 2 348.882 1.770 20 0 EDADLP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(F)c1 ZINC000817917953 593648530 /nfs/dbraw/zinc/64/85/30/593648530.db2.gz VTUASCFWUYZAMM-OWCLPIDISA-N 2 2 328.815 1.869 20 0 EDADLP O[C@H](C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000818950600 593729782 /nfs/dbraw/zinc/72/97/82/593729782.db2.gz VYNXDTPXQVMSQC-GOSISDBHSA-N 2 2 341.459 1.312 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2=O)cc1)C1CC1 ZINC000818972046 593731396 /nfs/dbraw/zinc/73/13/96/593731396.db2.gz CBYKHNVQBANBOT-GOSISDBHSA-N 2 2 331.460 1.748 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2=O)cc1)C1CC1 ZINC000818972046 593731397 /nfs/dbraw/zinc/73/13/97/593731397.db2.gz CBYKHNVQBANBOT-GOSISDBHSA-N 2 2 331.460 1.748 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000819038928 593735123 /nfs/dbraw/zinc/73/51/23/593735123.db2.gz MQVVAJBTQKICLY-INIZCTEOSA-N 2 2 334.464 1.392 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000819038928 593735124 /nfs/dbraw/zinc/73/51/24/593735124.db2.gz MQVVAJBTQKICLY-INIZCTEOSA-N 2 2 334.464 1.392 20 0 EDADLP Cn1c[nH+]c(/C=C/C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000819973818 593780289 /nfs/dbraw/zinc/78/02/89/593780289.db2.gz MJKVISIQECNGTA-RTRPANQVSA-N 2 2 326.400 1.639 20 0 EDADLP Cn1c[nH+]c(/C=C/C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000819973818 593780290 /nfs/dbraw/zinc/78/02/90/593780290.db2.gz MJKVISIQECNGTA-RTRPANQVSA-N 2 2 326.400 1.639 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCn2c[nH+]cc2C1 ZINC000820079173 593789238 /nfs/dbraw/zinc/78/92/38/593789238.db2.gz HIIUSEASJQEABI-GDAAHCPNSA-N 2 2 336.439 1.692 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCn2c[nH+]cc2C1 ZINC000820079173 593789239 /nfs/dbraw/zinc/78/92/39/593789239.db2.gz HIIUSEASJQEABI-GDAAHCPNSA-N 2 2 336.439 1.692 20 0 EDADLP C[C@H]1C[NH+](Cc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2)C[C@H](C)O1 ZINC000821763626 593933338 /nfs/dbraw/zinc/93/33/38/593933338.db2.gz AROUFWYUGGWGIV-GJZGRUSLSA-N 2 2 342.443 1.878 20 0 EDADLP C[C@H](CCCO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824402617 594003607 /nfs/dbraw/zinc/00/36/07/594003607.db2.gz XNNQAUQUROQFOV-CQSZACIVSA-N 2 2 344.463 1.582 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnn(-c2ccccc2)n1 ZINC000822285854 594024579 /nfs/dbraw/zinc/02/45/79/594024579.db2.gz UCMGTRPMZQOGKY-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnn(-c2ccccc2)n1 ZINC000822285854 594024581 /nfs/dbraw/zinc/02/45/81/594024581.db2.gz UCMGTRPMZQOGKY-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000824583166 594042160 /nfs/dbraw/zinc/04/21/60/594042160.db2.gz IJTHLHUSTYDFRS-QLFBSQMISA-N 2 2 348.434 1.790 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000824583166 594042162 /nfs/dbraw/zinc/04/21/62/594042162.db2.gz IJTHLHUSTYDFRS-QLFBSQMISA-N 2 2 348.434 1.790 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000824584045 594042670 /nfs/dbraw/zinc/04/26/70/594042670.db2.gz VRRGBQGOVGVTOR-KFWWJZLASA-N 2 2 348.434 1.790 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000824584045 594042672 /nfs/dbraw/zinc/04/26/72/594042672.db2.gz VRRGBQGOVGVTOR-KFWWJZLASA-N 2 2 348.434 1.790 20 0 EDADLP COCC1(c2nc(Cc3cn4ccccc4[nH+]3)no2)CC[NH2+]CC1 ZINC000822668990 594082289 /nfs/dbraw/zinc/08/22/89/594082289.db2.gz QLKPQQZPPHNFBJ-UHFFFAOYSA-N 2 2 327.388 1.576 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC000824956285 594104883 /nfs/dbraw/zinc/10/48/83/594104883.db2.gz FZBCBNDUBSWAOT-LJQANCHMSA-N 2 2 333.476 1.692 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(c2ccccc2)CCCO1 ZINC000824956285 594104885 /nfs/dbraw/zinc/10/48/85/594104885.db2.gz FZBCBNDUBSWAOT-LJQANCHMSA-N 2 2 333.476 1.692 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)N2CC[NH+](Cc3cn[nH]c3)CC2)cc1 ZINC000823017496 594137875 /nfs/dbraw/zinc/13/78/75/594137875.db2.gz URKODTQLUFONBV-UHFFFAOYSA-N 2 2 341.459 1.472 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/C3(C)CCOCC3)C2)CC1 ZINC000823282140 594179632 /nfs/dbraw/zinc/17/96/32/594179632.db2.gz IYIGMMFXVQMASN-LERPRCHQSA-N 2 2 335.492 1.644 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/C3(C)CCOCC3)C2)CC1 ZINC000823282140 594179634 /nfs/dbraw/zinc/17/96/34/594179634.db2.gz IYIGMMFXVQMASN-LERPRCHQSA-N 2 2 335.492 1.644 20 0 EDADLP C[NH+]1CCN(C[C@H](NC(=O)Cc2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000825738457 594234771 /nfs/dbraw/zinc/23/47/71/594234771.db2.gz OLYZQZFSUUZDCT-INIZCTEOSA-N 2 2 327.432 1.057 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000827625583 594246760 /nfs/dbraw/zinc/24/67/60/594246760.db2.gz PDPMNFAIXFSHSJ-ZWKOTPCHSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000827625583 594246761 /nfs/dbraw/zinc/24/67/61/594246761.db2.gz PDPMNFAIXFSHSJ-ZWKOTPCHSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000827625583 594246762 /nfs/dbraw/zinc/24/67/62/594246762.db2.gz PDPMNFAIXFSHSJ-ZWKOTPCHSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000827625583 594246763 /nfs/dbraw/zinc/24/67/63/594246763.db2.gz PDPMNFAIXFSHSJ-ZWKOTPCHSA-N 2 2 346.475 1.271 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000826122170 594337545 /nfs/dbraw/zinc/33/75/45/594337545.db2.gz YQPUEEHNDRFXPM-CQSZACIVSA-N 2 2 328.416 1.866 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826551352 594523346 /nfs/dbraw/zinc/52/33/46/594523346.db2.gz LGJPMBHPUUAKPN-GOSISDBHSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826551352 594523347 /nfs/dbraw/zinc/52/33/47/594523347.db2.gz LGJPMBHPUUAKPN-GOSISDBHSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000826604021 594537873 /nfs/dbraw/zinc/53/78/73/594537873.db2.gz ILVSTTIHEGDYHZ-ZWKOTPCHSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000826604021 594537875 /nfs/dbraw/zinc/53/78/75/594537875.db2.gz ILVSTTIHEGDYHZ-ZWKOTPCHSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC000826604021 594537876 /nfs/dbraw/zinc/53/78/76/594537876.db2.gz ILVSTTIHEGDYHZ-ZWKOTPCHSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC000826604021 594537878 /nfs/dbraw/zinc/53/78/78/594537878.db2.gz ILVSTTIHEGDYHZ-ZWKOTPCHSA-N 2 2 331.460 1.406 20 0 EDADLP [NH3+][C@@H](CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000829359095 594601830 /nfs/dbraw/zinc/60/18/30/594601830.db2.gz WOXKOLCSJXVMBN-MSOLQXFVSA-N 2 2 331.460 1.174 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nccc4occc43)C2)CC1 ZINC000827414167 594669697 /nfs/dbraw/zinc/66/96/97/594669697.db2.gz QHTMIGCQRVRLCZ-CYBMUJFWSA-N 2 2 328.416 1.726 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nccc4occc43)C2)CC1 ZINC000827414167 594669698 /nfs/dbraw/zinc/66/96/98/594669698.db2.gz QHTMIGCQRVRLCZ-CYBMUJFWSA-N 2 2 328.416 1.726 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(N3CCCCC3)c2)[C@@H](C[NH3+])C1 ZINC000841077555 594848358 /nfs/dbraw/zinc/84/83/58/594848358.db2.gz CQTZKELCQPVLAL-KRWDZBQOSA-N 2 2 331.464 1.784 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(N3CCCCC3)c2)[C@@H](C[NH3+])C1 ZINC000841077555 594848359 /nfs/dbraw/zinc/84/83/59/594848359.db2.gz CQTZKELCQPVLAL-KRWDZBQOSA-N 2 2 331.464 1.784 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@](C)(F)C3)C2)CC1 ZINC000836318728 594951244 /nfs/dbraw/zinc/95/12/44/594951244.db2.gz PJXFRMXFPRMIIS-PBHICJAKSA-N 2 2 326.460 1.689 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@](C)(F)C3)C2)CC1 ZINC000836318728 594951245 /nfs/dbraw/zinc/95/12/45/594951245.db2.gz PJXFRMXFPRMIIS-PBHICJAKSA-N 2 2 326.460 1.689 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841838227 594961570 /nfs/dbraw/zinc/96/15/70/594961570.db2.gz SAKDSFPHJLLEHK-KGLIPLIRSA-N 2 2 333.480 1.756 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841838227 594961572 /nfs/dbraw/zinc/96/15/72/594961572.db2.gz SAKDSFPHJLLEHK-KGLIPLIRSA-N 2 2 333.480 1.756 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841838226 594961674 /nfs/dbraw/zinc/96/16/74/594961674.db2.gz SAKDSFPHJLLEHK-KBPBESRZSA-N 2 2 333.480 1.756 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841838226 594961676 /nfs/dbraw/zinc/96/16/76/594961676.db2.gz SAKDSFPHJLLEHK-KBPBESRZSA-N 2 2 333.480 1.756 20 0 EDADLP [NH3+]CCCOC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000834295540 595083926 /nfs/dbraw/zinc/08/39/26/595083926.db2.gz CDPNUTYDKWLXQX-UHFFFAOYSA-N 2 2 329.404 1.237 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843353698 595084338 /nfs/dbraw/zinc/08/43/38/595084338.db2.gz MYYPFYCGDBTRIE-VKJFTORMSA-N 2 2 346.475 1.519 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000843353698 595084342 /nfs/dbraw/zinc/08/43/42/595084342.db2.gz MYYPFYCGDBTRIE-VKJFTORMSA-N 2 2 346.475 1.519 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)C1 ZINC000842619042 595144871 /nfs/dbraw/zinc/14/48/71/595144871.db2.gz TZARMCNWFSXPRW-BZUAXINKSA-N 2 2 332.448 1.585 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)C1 ZINC000842619042 595144874 /nfs/dbraw/zinc/14/48/74/595144874.db2.gz TZARMCNWFSXPRW-BZUAXINKSA-N 2 2 332.448 1.585 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC12CCOCC2 ZINC000843125441 595293225 /nfs/dbraw/zinc/29/32/25/595293225.db2.gz WOCXPPGDCLKFIR-MRXNPFEDSA-N 3 2 327.432 1.455 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC12CCOCC2 ZINC000843125441 595293227 /nfs/dbraw/zinc/29/32/27/595293227.db2.gz WOCXPPGDCLKFIR-MRXNPFEDSA-N 3 2 327.432 1.455 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)C1(C)C ZINC000844187128 595296505 /nfs/dbraw/zinc/29/65/05/595296505.db2.gz BOJQEAGRJIPPKA-DYVFJYSZSA-N 2 2 347.450 1.707 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)C1(C)C ZINC000844187128 595296506 /nfs/dbraw/zinc/29/65/06/595296506.db2.gz BOJQEAGRJIPPKA-DYVFJYSZSA-N 2 2 347.450 1.707 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000844187211 595296570 /nfs/dbraw/zinc/29/65/70/595296570.db2.gz GQDBVNATHOFPNI-DOMZBBRYSA-N 2 2 341.402 1.452 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000844224181 595308652 /nfs/dbraw/zinc/30/86/52/595308652.db2.gz DKXNUEWBICRVRZ-GJZGRUSLSA-N 2 2 347.507 1.400 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000844224181 595308655 /nfs/dbraw/zinc/30/86/55/595308655.db2.gz DKXNUEWBICRVRZ-GJZGRUSLSA-N 2 2 347.507 1.400 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844295168 595318506 /nfs/dbraw/zinc/31/85/06/595318506.db2.gz PYVMSGMTTUWGRN-DLBZAZTESA-N 2 2 336.480 1.072 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844295168 595318507 /nfs/dbraw/zinc/31/85/07/595318507.db2.gz PYVMSGMTTUWGRN-DLBZAZTESA-N 2 2 336.480 1.072 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)c1cccc(Br)c1 ZINC000846996075 595348598 /nfs/dbraw/zinc/34/85/98/595348598.db2.gz PAGMXGIPEJNAKC-GJZGRUSLSA-N 2 2 345.281 1.727 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)c1cccc(Br)c1 ZINC000846996075 595348600 /nfs/dbraw/zinc/34/86/00/595348600.db2.gz PAGMXGIPEJNAKC-GJZGRUSLSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000846996075 595348602 /nfs/dbraw/zinc/34/86/02/595348602.db2.gz PAGMXGIPEJNAKC-GJZGRUSLSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000846996075 595348605 /nfs/dbraw/zinc/34/86/05/595348605.db2.gz PAGMXGIPEJNAKC-GJZGRUSLSA-N 2 2 345.281 1.727 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCO1 ZINC000849072077 595477847 /nfs/dbraw/zinc/47/78/47/595477847.db2.gz IAXSGCADCSDQRF-ZDUSSCGKSA-N 2 2 334.420 1.505 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCO1 ZINC000849072077 595477848 /nfs/dbraw/zinc/47/78/48/595477848.db2.gz IAXSGCADCSDQRF-ZDUSSCGKSA-N 2 2 334.420 1.505 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)[C@@H](c2cnn(C)c2)C1 ZINC000849497334 595551861 /nfs/dbraw/zinc/55/18/61/595551861.db2.gz DZYPEIAKFAHGPI-IAGOWNOFSA-N 2 2 344.463 1.247 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)[C@@H](c2cnn(C)c2)C1 ZINC000849497334 595551865 /nfs/dbraw/zinc/55/18/65/595551865.db2.gz DZYPEIAKFAHGPI-IAGOWNOFSA-N 2 2 344.463 1.247 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)Cn1cc[nH+]c1 ZINC000849554226 595564713 /nfs/dbraw/zinc/56/47/13/595564713.db2.gz VIOUYGDTZJWIJP-OIISXLGYSA-N 2 2 344.463 1.104 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1)Cn1cc[nH+]c1 ZINC000849554226 595564716 /nfs/dbraw/zinc/56/47/16/595564716.db2.gz VIOUYGDTZJWIJP-OIISXLGYSA-N 2 2 344.463 1.104 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000853048210 595649431 /nfs/dbraw/zinc/64/94/31/595649431.db2.gz HRNRBUVABCORCH-KRWDZBQOSA-N 2 2 348.516 1.057 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000853048210 595649434 /nfs/dbraw/zinc/64/94/34/595649434.db2.gz HRNRBUVABCORCH-KRWDZBQOSA-N 2 2 348.516 1.057 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046032 595689837 /nfs/dbraw/zinc/68/98/37/595689837.db2.gz GCPWRPKNFRZWIL-MSOLQXFVSA-N 2 2 331.460 1.869 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046032 595689840 /nfs/dbraw/zinc/68/98/40/595689840.db2.gz GCPWRPKNFRZWIL-MSOLQXFVSA-N 2 2 331.460 1.869 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000855408780 595698230 /nfs/dbraw/zinc/69/82/30/595698230.db2.gz YQQKYNQFQYABML-JJRVBVJISA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000855408780 595698232 /nfs/dbraw/zinc/69/82/32/595698232.db2.gz YQQKYNQFQYABML-JJRVBVJISA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000855408780 595698233 /nfs/dbraw/zinc/69/82/33/595698233.db2.gz YQQKYNQFQYABML-JJRVBVJISA-N 2 2 329.460 1.424 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](C)CO1 ZINC000855408780 595698235 /nfs/dbraw/zinc/69/82/35/595698235.db2.gz YQQKYNQFQYABML-JJRVBVJISA-N 2 2 329.460 1.424 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000855416685 595705802 /nfs/dbraw/zinc/70/58/02/595705802.db2.gz QAJPQXRZDLDBFA-LJQANCHMSA-N 2 2 347.459 1.158 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 ZINC000855416685 595705806 /nfs/dbraw/zinc/70/58/06/595705806.db2.gz QAJPQXRZDLDBFA-LJQANCHMSA-N 2 2 347.459 1.158 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000860716975 595772913 /nfs/dbraw/zinc/77/29/13/595772913.db2.gz XXVGTUDXRSSZFF-CQSZACIVSA-N 2 2 337.420 1.541 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000860716975 595772914 /nfs/dbraw/zinc/77/29/14/595772914.db2.gz XXVGTUDXRSSZFF-CQSZACIVSA-N 2 2 337.420 1.541 20 0 EDADLP C[C@@H]1C[NH+](CCN2CCN(C3=[NH+]CC(C)(C)S3)CC2)C[C@@H](C)O1 ZINC000851845202 595945111 /nfs/dbraw/zinc/94/51/11/595945111.db2.gz HUUOTKCNWSNLBE-HUUCEWRRSA-N 2 2 340.537 1.595 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NCC3CC3)C2)ccn1 ZINC000856585494 596023918 /nfs/dbraw/zinc/02/39/18/596023918.db2.gz HBZKCAXVCIBFTF-SFHVURJKSA-N 2 2 346.475 1.513 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NCC3CC3)C2)ccn1 ZINC000856585494 596023924 /nfs/dbraw/zinc/02/39/24/596023924.db2.gz HBZKCAXVCIBFTF-SFHVURJKSA-N 2 2 346.475 1.513 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)NCC3CC3)C2)ccn1 ZINC000856585494 596023928 /nfs/dbraw/zinc/02/39/28/596023928.db2.gz HBZKCAXVCIBFTF-SFHVURJKSA-N 2 2 346.475 1.513 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)ccn1 ZINC000856585494 596023933 /nfs/dbraw/zinc/02/39/33/596023933.db2.gz HBZKCAXVCIBFTF-SFHVURJKSA-N 2 2 346.475 1.513 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000861551350 596027141 /nfs/dbraw/zinc/02/71/41/596027141.db2.gz NFHWCGREFXPPLA-AWEZNQCLSA-N 2 2 326.404 1.351 20 0 EDADLP OC[C@]1([N@@H+](Cc2ccccc2)C[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000859294402 596037482 /nfs/dbraw/zinc/03/74/82/596037482.db2.gz SMSCAPZDXGCPJP-RTBURBONSA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@]1([N@H+](Cc2ccccc2)C[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000859294402 596037484 /nfs/dbraw/zinc/03/74/84/596037484.db2.gz SMSCAPZDXGCPJP-RTBURBONSA-N 2 2 334.460 1.097 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000864510771 596251694 /nfs/dbraw/zinc/25/16/94/596251694.db2.gz DWKWPAKFARMXJJ-BBOMDTFKSA-N 2 2 347.459 1.811 20 0 EDADLP COc1ccc2c(C[NH+]3CCC([NH2+]CCO)CC3)cc(=O)oc2c1 ZINC000866681552 596291747 /nfs/dbraw/zinc/29/17/47/596291747.db2.gz BDWZBXMGDKKVLH-UHFFFAOYSA-N 2 2 332.400 1.348 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3SCCCS3)c2)CC1 ZINC000870665249 596314992 /nfs/dbraw/zinc/31/49/92/596314992.db2.gz NLADLGVKXNHXDH-UHFFFAOYSA-N 2 2 338.502 1.968 20 0 EDADLP CC1=C(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C(=O)OC1(C)C ZINC000870666553 596315106 /nfs/dbraw/zinc/31/51/06/596315106.db2.gz AGHBFKLJPCPLKJ-UHFFFAOYSA-N 2 2 344.415 1.424 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870881006 596388437 /nfs/dbraw/zinc/38/84/37/596388437.db2.gz XPWSYCOVMZKYHN-UHFFFAOYSA-N 2 2 343.471 1.872 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000870886090 596390531 /nfs/dbraw/zinc/39/05/31/596390531.db2.gz UKEDFESWWOZYQK-OTWHNJEPSA-N 2 2 345.487 1.564 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC3CC[NH2+]CC3)C2)c1 ZINC000870978041 596424662 /nfs/dbraw/zinc/42/46/62/596424662.db2.gz PNKMWISCZBOHCZ-IBGZPJMESA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CC3CC[NH2+]CC3)C2)c1 ZINC000870978041 596424666 /nfs/dbraw/zinc/42/46/66/596424666.db2.gz PNKMWISCZBOHCZ-IBGZPJMESA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2)c1 ZINC000870978668 596425547 /nfs/dbraw/zinc/42/55/47/596425547.db2.gz YLRVGTKXJQYFCM-FHWLQOOXSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2)c1 ZINC000870978668 596425550 /nfs/dbraw/zinc/42/55/50/596425550.db2.gz YLRVGTKXJQYFCM-FHWLQOOXSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)CC1 ZINC000870982211 596429173 /nfs/dbraw/zinc/42/91/73/596429173.db2.gz YLBSGQKHCOLJBO-QZTJIDSGSA-N 2 2 336.524 1.523 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)/C=C/C[NH+]2CCOCC2)o1 ZINC000865040996 596453596 /nfs/dbraw/zinc/45/35/96/596453596.db2.gz GZKVDCZCVGGLCL-SNAWJCMRSA-N 2 2 335.448 1.367 20 0 EDADLP Cc1cc(F)ncc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000865063161 596460988 /nfs/dbraw/zinc/46/09/88/596460988.db2.gz AOYHLCGFPNMXRC-UHFFFAOYSA-N 2 2 334.439 1.818 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000865178492 596502184 /nfs/dbraw/zinc/50/21/84/596502184.db2.gz WKLGUOIQOHTPIF-GJZGRUSLSA-N 2 2 347.450 1.533 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865178492 596502186 /nfs/dbraw/zinc/50/21/86/596502186.db2.gz WKLGUOIQOHTPIF-GJZGRUSLSA-N 2 2 347.450 1.533 20 0 EDADLP CCN(CC)C(=O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865431883 596572712 /nfs/dbraw/zinc/57/27/12/596572712.db2.gz MFAOROJOXOYPPF-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP C[C@@H](C(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1)[NH+]1CCSCC1 ZINC000871419818 596577386 /nfs/dbraw/zinc/57/73/86/596577386.db2.gz LYPRDFJFGCYTBI-GOEBONIOSA-N 2 2 346.500 1.830 20 0 EDADLP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000888577685 596604083 /nfs/dbraw/zinc/60/40/83/596604083.db2.gz PTRWNWUNAVPGAT-MRXNPFEDSA-N 2 2 330.432 1.731 20 0 EDADLP C[NH+](C)[C@H]1CCOc2c(NC(=O)/C=C\C[NH+]3CCOCC3)cccc21 ZINC000867907164 596612294 /nfs/dbraw/zinc/61/22/94/596612294.db2.gz OUSFVLDCRXROAB-IMXKFXGHSA-N 2 2 345.443 1.899 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000863546142 596613899 /nfs/dbraw/zinc/61/38/99/596613899.db2.gz DZGXCPYQVMQGPL-IDCNUPLLSA-N 2 2 347.459 1.753 20 0 EDADLP C[NH+](C)CCCCC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542344 596620905 /nfs/dbraw/zinc/62/09/05/596620905.db2.gz DAMGCUWSYGCGSE-UHFFFAOYSA-N 2 2 341.496 1.641 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000867974825 596640896 /nfs/dbraw/zinc/64/08/96/596640896.db2.gz GWVYRPUEROVJLU-AWEZNQCLSA-N 2 2 336.411 1.225 20 0 EDADLP CCc1cnc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)s1 ZINC000863642208 596641321 /nfs/dbraw/zinc/64/13/21/596641321.db2.gz KSWYQXCOHSREJU-KGLIPLIRSA-N 2 2 336.461 1.463 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C2)cc1 ZINC000867998738 596649373 /nfs/dbraw/zinc/64/93/73/596649373.db2.gz ZSYCXPWSUNCKBQ-QRQLOZEOSA-N 2 2 347.503 1.931 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C2)cc1 ZINC000867998738 596649375 /nfs/dbraw/zinc/64/93/75/596649375.db2.gz ZSYCXPWSUNCKBQ-QRQLOZEOSA-N 2 2 347.503 1.931 20 0 EDADLP CCO[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000865751171 596670143 /nfs/dbraw/zinc/67/01/43/596670143.db2.gz WJQCLKIHHONWIS-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP CCO[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000865751171 596670146 /nfs/dbraw/zinc/67/01/46/596670146.db2.gz WJQCLKIHHONWIS-SJLPKXTDSA-N 2 2 337.508 1.866 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=S)NC[C@H]1CCC[NH+]1CC ZINC000871688724 596672154 /nfs/dbraw/zinc/67/21/54/596672154.db2.gz QQQJMSPRYLQIFC-LSDHHAIUSA-N 2 2 328.526 1.046 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000871688724 596672157 /nfs/dbraw/zinc/67/21/57/596672157.db2.gz QQQJMSPRYLQIFC-LSDHHAIUSA-N 2 2 328.526 1.046 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=S)NC[C@H]1CCC[N@H+]1CC ZINC000871688724 596672160 /nfs/dbraw/zinc/67/21/60/596672160.db2.gz QQQJMSPRYLQIFC-LSDHHAIUSA-N 2 2 328.526 1.046 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000865818185 596696157 /nfs/dbraw/zinc/69/61/57/596696157.db2.gz OREUOHVJEBLIPI-UKRRQHHQSA-N 2 2 337.489 1.352 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000865818185 596696159 /nfs/dbraw/zinc/69/61/59/596696159.db2.gz OREUOHVJEBLIPI-UKRRQHHQSA-N 2 2 337.489 1.352 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868183970 596714828 /nfs/dbraw/zinc/71/48/28/596714828.db2.gz FQIDQVPSKCAXRT-ZWKOTPCHSA-N 3 2 345.491 1.649 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N[C@H](CCC[NH3+])c3ccccc3)cc2C1 ZINC000868203707 596722300 /nfs/dbraw/zinc/72/23/00/596722300.db2.gz GOAQXXDCJLXBMV-MRXNPFEDSA-N 2 2 342.447 1.930 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N[C@H](CCC[NH3+])c3ccccc3)cc2C1 ZINC000868203707 596722302 /nfs/dbraw/zinc/72/23/02/596722302.db2.gz GOAQXXDCJLXBMV-MRXNPFEDSA-N 2 2 342.447 1.930 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870067552 596732932 /nfs/dbraw/zinc/73/29/32/596732932.db2.gz DXJXRQZNLDVIEF-KRWDZBQOSA-N 2 2 341.496 1.058 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870067552 596732935 /nfs/dbraw/zinc/73/29/35/596732935.db2.gz DXJXRQZNLDVIEF-KRWDZBQOSA-N 2 2 341.496 1.058 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000868282039 596763141 /nfs/dbraw/zinc/76/31/41/596763141.db2.gz WSMDNXAVAWIUPK-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1c2ccccc2C[NH+]1C ZINC000868282039 596763142 /nfs/dbraw/zinc/76/31/42/596763142.db2.gz WSMDNXAVAWIUPK-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868282039 596763144 /nfs/dbraw/zinc/76/31/44/596763144.db2.gz WSMDNXAVAWIUPK-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000868282039 596763146 /nfs/dbraw/zinc/76/31/46/596763146.db2.gz WSMDNXAVAWIUPK-WMZOPIPTSA-N 2 2 346.475 1.583 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000872105368 596806705 /nfs/dbraw/zinc/80/67/05/596806705.db2.gz BDDWOIOHUCJEPH-QGZVFWFLSA-N 2 2 325.497 1.188 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000872105368 596806709 /nfs/dbraw/zinc/80/67/09/596806709.db2.gz BDDWOIOHUCJEPH-QGZVFWFLSA-N 2 2 325.497 1.188 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147501 596811288 /nfs/dbraw/zinc/81/12/88/596811288.db2.gz JBBJKRNLRZCDFW-IHRRRGAJSA-N 2 2 329.366 1.885 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147501 596811289 /nfs/dbraw/zinc/81/12/89/596811289.db2.gz JBBJKRNLRZCDFW-IHRRRGAJSA-N 2 2 329.366 1.885 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147503 596811314 /nfs/dbraw/zinc/81/13/14/596811314.db2.gz JBBJKRNLRZCDFW-MCIONIFRSA-N 2 2 329.366 1.885 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147503 596811315 /nfs/dbraw/zinc/81/13/15/596811315.db2.gz JBBJKRNLRZCDFW-MCIONIFRSA-N 2 2 329.366 1.885 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153358 596815157 /nfs/dbraw/zinc/81/51/57/596815157.db2.gz KHIFMULVUNASLL-QHHYFVSCSA-N 2 2 329.444 1.556 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153358 596815159 /nfs/dbraw/zinc/81/51/59/596815159.db2.gz KHIFMULVUNASLL-QHHYFVSCSA-N 2 2 329.444 1.556 20 0 EDADLP CC(C)(C)[S@](=O)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872202122 596833780 /nfs/dbraw/zinc/83/37/80/596833780.db2.gz VFWKJDZXUQCWAP-FDDCHVKYSA-N 2 2 338.517 1.760 20 0 EDADLP CC(C)(C)[S@](=O)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872202122 596833781 /nfs/dbraw/zinc/83/37/81/596833781.db2.gz VFWKJDZXUQCWAP-FDDCHVKYSA-N 2 2 338.517 1.760 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866249955 596837739 /nfs/dbraw/zinc/83/77/39/596837739.db2.gz RHOLZYXPUNSELP-LLVKDONJSA-N 2 2 336.823 1.906 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000875662552 596938029 /nfs/dbraw/zinc/93/80/29/596938029.db2.gz LRTXUOHQWNGJHG-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000875662552 596938031 /nfs/dbraw/zinc/93/80/31/596938031.db2.gz LRTXUOHQWNGJHG-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000875662552 596938033 /nfs/dbraw/zinc/93/80/33/596938033.db2.gz LRTXUOHQWNGJHG-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000875662552 596938035 /nfs/dbraw/zinc/93/80/35/596938035.db2.gz LRTXUOHQWNGJHG-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]1C[N@@H+](CN2CCC3(CCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000872595277 596980965 /nfs/dbraw/zinc/98/09/65/596980965.db2.gz DIXYENUTVHNULP-DLBZAZTESA-N 2 2 334.508 1.304 20 0 EDADLP O=C1CC2(COC2)CN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000872603696 596985157 /nfs/dbraw/zinc/98/51/57/596985157.db2.gz ZMKGIJNOOPUQCD-UHFFFAOYSA-N 2 2 344.459 1.605 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000872779345 597064133 /nfs/dbraw/zinc/06/41/33/597064133.db2.gz FYWKDKUYUFXMKP-ARFHVFGLSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000872779345 597064136 /nfs/dbraw/zinc/06/41/36/597064136.db2.gz FYWKDKUYUFXMKP-ARFHVFGLSA-N 2 2 331.464 1.358 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4[C@H]3CCC[N@@H+]4C)nc(N)c2cc1OC ZINC000872778745 597064238 /nfs/dbraw/zinc/06/42/38/597064238.db2.gz BLYXKOIRFFIIKD-UONOGXRCSA-N 2 2 343.431 1.902 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4[C@H]3CCC[N@H+]4C)nc(N)c2cc1OC ZINC000872778745 597064240 /nfs/dbraw/zinc/06/42/40/597064240.db2.gz BLYXKOIRFFIIKD-UONOGXRCSA-N 2 2 343.431 1.902 20 0 EDADLP COCCC1(NC(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]CC1 ZINC000874433988 597076164 /nfs/dbraw/zinc/07/61/64/597076164.db2.gz XAOQWKLJOWDIRB-UHFFFAOYSA-N 2 2 331.420 1.292 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000874701192 597144487 /nfs/dbraw/zinc/14/44/87/597144487.db2.gz RWFQGANRDLFGET-SFHVURJKSA-N 2 2 342.443 1.772 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000874701192 597144490 /nfs/dbraw/zinc/14/44/90/597144490.db2.gz RWFQGANRDLFGET-SFHVURJKSA-N 2 2 342.443 1.772 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000874708210 597152912 /nfs/dbraw/zinc/15/29/12/597152912.db2.gz JXASUDOQPLPVFZ-YOEHRIQHSA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000874708210 597152914 /nfs/dbraw/zinc/15/29/14/597152914.db2.gz JXASUDOQPLPVFZ-YOEHRIQHSA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000874708210 597152915 /nfs/dbraw/zinc/15/29/15/597152915.db2.gz JXASUDOQPLPVFZ-YOEHRIQHSA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000874708210 597152916 /nfs/dbraw/zinc/15/29/16/597152916.db2.gz JXASUDOQPLPVFZ-YOEHRIQHSA-N 2 2 329.460 1.426 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874890526 597211447 /nfs/dbraw/zinc/21/14/47/597211447.db2.gz SUCYSFGQRDOEBD-ZBFHGGJFSA-N 2 2 328.391 1.758 20 0 EDADLP O=C(c1ccco1)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873200965 597224917 /nfs/dbraw/zinc/22/49/17/597224917.db2.gz PTQOHALQARPTDP-UHFFFAOYSA-N 2 2 331.441 1.945 20 0 EDADLP C[N@H+](Cc1cnc(N)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000873205223 597226882 /nfs/dbraw/zinc/22/68/82/597226882.db2.gz LKBIXINBDCNEJK-UHFFFAOYSA-N 2 2 326.448 1.593 20 0 EDADLP C[N@@H+](Cc1cnc(N)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000873205223 597226884 /nfs/dbraw/zinc/22/68/84/597226884.db2.gz LKBIXINBDCNEJK-UHFFFAOYSA-N 2 2 326.448 1.593 20 0 EDADLP Cc1cc(C)n2c(C[N@@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cnc2n1 ZINC000873228842 597234811 /nfs/dbraw/zinc/23/48/11/597234811.db2.gz WHZMLDYQTDXGHO-YPMHNXCESA-N 2 2 327.354 1.915 20 0 EDADLP Cc1cc(C)n2c(C[N@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cnc2n1 ZINC000873228842 597234813 /nfs/dbraw/zinc/23/48/13/597234813.db2.gz WHZMLDYQTDXGHO-YPMHNXCESA-N 2 2 327.354 1.915 20 0 EDADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000876767087 597331015 /nfs/dbraw/zinc/33/10/15/597331015.db2.gz ARIWCCBPSIDHHL-OAHLLOKOSA-N 2 2 338.415 1.694 20 0 EDADLP CC[C@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000124614933 597344254 /nfs/dbraw/zinc/34/42/54/597344254.db2.gz OVANIIWGXYGXBI-XNHLSEOASA-N 2 2 334.508 1.445 20 0 EDADLP CC[C@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000124614933 597344257 /nfs/dbraw/zinc/34/42/57/597344257.db2.gz OVANIIWGXYGXBI-XNHLSEOASA-N 2 2 334.508 1.445 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876893420 597372977 /nfs/dbraw/zinc/37/29/77/597372977.db2.gz YWHWUEATQLZTHM-NFAWXSAZSA-N 2 2 325.453 1.901 20 0 EDADLP CC[C@H](C[C@@H](C)O)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875295985 597372999 /nfs/dbraw/zinc/37/29/99/597372999.db2.gz YEGUZSYTNNVQHB-RBSFLKMASA-N 2 2 326.485 1.004 20 0 EDADLP CC[C@H](C[C@@H](C)O)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875295985 597373004 /nfs/dbraw/zinc/37/30/04/597373004.db2.gz YEGUZSYTNNVQHB-RBSFLKMASA-N 2 2 326.485 1.004 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000876964920 597399536 /nfs/dbraw/zinc/39/95/36/597399536.db2.gz VOBUEAQUDLDDQH-ZYQPHWHESA-N 2 2 347.434 1.276 20 0 EDADLP Nc1c(Cl)cccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000877030292 597416404 /nfs/dbraw/zinc/41/64/04/597416404.db2.gz AMZSICFPWMXANF-HNNXBMFYSA-N 2 2 338.883 1.418 20 0 EDADLP O=S1(=O)CCC(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000877089348 597429354 /nfs/dbraw/zinc/42/93/54/597429354.db2.gz MVLSKDSFUVISHZ-IAGOWNOFSA-N 2 2 344.521 1.169 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877201319 597460576 /nfs/dbraw/zinc/46/05/76/597460576.db2.gz FFTHHIUJARJJMY-UONOGXRCSA-N 2 2 334.489 1.624 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877201320 597460653 /nfs/dbraw/zinc/46/06/53/597460653.db2.gz FFTHHIUJARJJMY-ZIAGYGMSSA-N 2 2 334.489 1.624 20 0 EDADLP CO[C@H](C[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCOCC1 ZINC000877670388 597546549 /nfs/dbraw/zinc/54/65/49/597546549.db2.gz MIOHZVQUPAWIPZ-KZNAEPCWSA-N 3 2 327.513 1.099 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(C(C)(C)O)CC3)cn2)CC1 ZINC000877754008 597553329 /nfs/dbraw/zinc/55/33/29/597553329.db2.gz QLZDANHSOZGFBA-UHFFFAOYSA-N 2 2 333.480 1.211 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)n1 ZINC000879596173 597651339 /nfs/dbraw/zinc/65/13/39/597651339.db2.gz INCBFKYMDGISDG-UHFFFAOYSA-N 2 2 332.448 1.080 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879596450 597651451 /nfs/dbraw/zinc/65/14/51/597651451.db2.gz LPWNXRFLNHUGMX-KRWDZBQOSA-N 2 2 325.497 1.676 20 0 EDADLP CO[C@H]1C[C@H](CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000883248378 597693431 /nfs/dbraw/zinc/69/34/31/597693431.db2.gz QUYSGDOQTGPPTB-CZIWCDLHSA-N 2 2 338.496 1.269 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756475 597712531 /nfs/dbraw/zinc/71/25/31/597712531.db2.gz WNAPOEISFZBART-HRCADAONSA-N 2 2 341.496 1.773 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756475 597712533 /nfs/dbraw/zinc/71/25/33/597712533.db2.gz WNAPOEISFZBART-HRCADAONSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756475 597712537 /nfs/dbraw/zinc/71/25/37/597712537.db2.gz WNAPOEISFZBART-HRCADAONSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879756475 597712540 /nfs/dbraw/zinc/71/25/40/597712540.db2.gz WNAPOEISFZBART-HRCADAONSA-N 2 2 341.496 1.773 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000883356160 597723738 /nfs/dbraw/zinc/72/37/38/597723738.db2.gz HIWBHFIXPYOMEU-SFHVURJKSA-N 2 2 337.508 1.474 20 0 EDADLP C(C[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)O2)CC1)N1CCOCC1 ZINC000883356160 597723744 /nfs/dbraw/zinc/72/37/44/597723744.db2.gz HIWBHFIXPYOMEU-SFHVURJKSA-N 2 2 337.508 1.474 20 0 EDADLP Cc1cnc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000878823859 597724483 /nfs/dbraw/zinc/72/44/83/597724483.db2.gz KGGIMWCSBFMGOQ-CYBMUJFWSA-N 2 2 336.867 1.942 20 0 EDADLP Cc1cnc(Cl)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000878823859 597724485 /nfs/dbraw/zinc/72/44/85/597724485.db2.gz KGGIMWCSBFMGOQ-CYBMUJFWSA-N 2 2 336.867 1.942 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc4nsnc43)C2)CC1 ZINC000878823881 597724567 /nfs/dbraw/zinc/72/45/67/597724567.db2.gz KVZMIXGMMMQJJH-LBPRGKRZSA-N 2 2 345.472 1.590 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc4nsnc43)C2)CC1 ZINC000878823881 597724569 /nfs/dbraw/zinc/72/45/69/597724569.db2.gz KVZMIXGMMMQJJH-LBPRGKRZSA-N 2 2 345.472 1.590 20 0 EDADLP CC(C)(C)OC1CC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000883370176 597725755 /nfs/dbraw/zinc/72/57/55/597725755.db2.gz HTOOOGZPTRYSKQ-AOCRQIFASA-N 2 2 339.524 1.719 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(C)c[nH+]1 ZINC000879074859 597810533 /nfs/dbraw/zinc/81/05/33/597810533.db2.gz BBUFEEKSKJUIOR-INIZCTEOSA-N 2 2 332.448 1.885 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000880253878 597883818 /nfs/dbraw/zinc/88/38/18/597883818.db2.gz FVTPHOUOYBDJOT-GOSISDBHSA-N 2 2 345.487 1.916 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000883891782 597932813 /nfs/dbraw/zinc/93/28/13/597932813.db2.gz CJEBIEAHQFXRME-KRWDZBQOSA-N 2 2 346.475 1.487 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000883891782 597932815 /nfs/dbraw/zinc/93/28/15/597932815.db2.gz CJEBIEAHQFXRME-KRWDZBQOSA-N 2 2 346.475 1.487 20 0 EDADLP [NH3+]Cc1ocnc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000884185593 598018249 /nfs/dbraw/zinc/01/82/49/598018249.db2.gz APJVQMBNYJMOSM-UHFFFAOYSA-N 2 2 332.379 1.667 20 0 EDADLP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000884317083 598063214 /nfs/dbraw/zinc/06/32/14/598063214.db2.gz KQPGYNVVDRCWJZ-NVXWUHKLSA-N 2 2 349.438 1.828 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000882813327 598067323 /nfs/dbraw/zinc/06/73/23/598067323.db2.gz KMKAQTXQODZXAZ-UHFFFAOYSA-N 2 2 344.463 1.361 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccn2)[C@H]1C ZINC000994297773 696726414 /nfs/dbraw/zinc/72/64/14/696726414.db2.gz JIGUEGSYNLXGSX-HOCLYGCPSA-N 2 2 327.432 1.825 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccn2)[C@H]1C ZINC000994297773 696726416 /nfs/dbraw/zinc/72/64/16/696726416.db2.gz JIGUEGSYNLXGSX-HOCLYGCPSA-N 2 2 327.432 1.825 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000914081101 695078248 /nfs/dbraw/zinc/07/82/48/695078248.db2.gz POSQRTRNZUSQTJ-ZDUSSCGKSA-N 2 2 339.509 1.878 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@@H]1[NH2+]CCF ZINC000939815928 699974718 /nfs/dbraw/zinc/97/47/18/699974718.db2.gz MOHUKQCJWZILSB-JSGCOSHPSA-N 2 2 325.453 1.512 20 0 EDADLP C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@@H]1[NH2+]CCF ZINC000939815928 699974719 /nfs/dbraw/zinc/97/47/19/699974719.db2.gz MOHUKQCJWZILSB-JSGCOSHPSA-N 2 2 325.453 1.512 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992666660 695184938 /nfs/dbraw/zinc/18/49/38/695184938.db2.gz JYEPZMSGIYZVQX-NUEKZKHPSA-N 2 2 343.431 1.747 20 0 EDADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)c(C)[nH+]1 ZINC000992756423 695291066 /nfs/dbraw/zinc/29/10/66/695291066.db2.gz NQOAZCNOWWGCJK-ARFHVFGLSA-N 2 2 344.459 1.322 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnsn3)[C@H]2C1 ZINC000992830948 695390556 /nfs/dbraw/zinc/39/05/56/695390556.db2.gz HPCNQYRUJVRTSK-TUKIKUTGSA-N 2 2 346.460 1.221 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939855325 699993492 /nfs/dbraw/zinc/99/34/92/699993492.db2.gz DOKSPOOGLXUQMD-RHSMWYFYSA-N 2 2 344.463 1.606 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000929846494 695640150 /nfs/dbraw/zinc/64/01/50/695640150.db2.gz ONYFIDBYLGTLTF-SJORKVTESA-N 2 2 335.492 1.717 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000929846494 695640151 /nfs/dbraw/zinc/64/01/51/695640151.db2.gz ONYFIDBYLGTLTF-SJORKVTESA-N 2 2 335.492 1.717 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]23)cc[nH+]1 ZINC001060538538 695852805 /nfs/dbraw/zinc/85/28/05/695852805.db2.gz WUIMIBJEXSDMIX-OWCLPIDISA-N 2 2 341.459 1.530 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](CC)OC)C1 ZINC001031235256 695928968 /nfs/dbraw/zinc/92/89/68/695928968.db2.gz PSMHOVYHIDKQIG-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](CC)OC)C1 ZINC001031235256 695928969 /nfs/dbraw/zinc/92/89/69/695928969.db2.gz PSMHOVYHIDKQIG-IRXDYDNUSA-N 2 2 325.497 1.866 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001031237060 695940241 /nfs/dbraw/zinc/94/02/41/695940241.db2.gz RAGIPCKHRZIOOL-QGZVFWFLSA-N 2 2 333.480 1.375 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001031237060 695940243 /nfs/dbraw/zinc/94/02/43/695940243.db2.gz RAGIPCKHRZIOOL-QGZVFWFLSA-N 2 2 333.480 1.375 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@@H]23)cc[nH+]1 ZINC001060560329 696002944 /nfs/dbraw/zinc/00/29/44/696002944.db2.gz SVKWSWMDVFWDRW-DJIMGWMZSA-N 2 2 343.475 1.918 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@@H]23)cc[nH+]1 ZINC001060560329 696002946 /nfs/dbraw/zinc/00/29/46/696002946.db2.gz SVKWSWMDVFWDRW-DJIMGWMZSA-N 2 2 343.475 1.918 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CCO1 ZINC000915827967 696034847 /nfs/dbraw/zinc/03/48/47/696034847.db2.gz KAYSECYCDFQEHN-RDJZCZTQSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CCO1 ZINC000915827967 696034851 /nfs/dbraw/zinc/03/48/51/696034851.db2.gz KAYSECYCDFQEHN-RDJZCZTQSA-N 2 2 349.479 1.094 20 0 EDADLP Cc1ccc(C)c(OCC[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031260236 696067135 /nfs/dbraw/zinc/06/71/35/696067135.db2.gz NQZLKXDTQLZIPE-KRWDZBQOSA-N 2 2 345.487 1.824 20 0 EDADLP Cc1ccc(C)c(OCC[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001031260236 696067140 /nfs/dbraw/zinc/06/71/40/696067140.db2.gz NQZLKXDTQLZIPE-KRWDZBQOSA-N 2 2 345.487 1.824 20 0 EDADLP CCc1cccc(OCC[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001031263439 696072948 /nfs/dbraw/zinc/07/29/48/696072948.db2.gz ORKJURAHIKBOMA-UHFFFAOYSA-N 2 2 343.471 1.524 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnoc2C)[C@H]1C ZINC000993611907 696258402 /nfs/dbraw/zinc/25/84/02/696258402.db2.gz IIWXQFBWMSWHLV-XJKSGUPXSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnoc2C)[C@H]1C ZINC000993611907 696258404 /nfs/dbraw/zinc/25/84/04/696258404.db2.gz IIWXQFBWMSWHLV-XJKSGUPXSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccns2)[C@@H]1C ZINC000993611823 696258567 /nfs/dbraw/zinc/25/85/67/696258567.db2.gz HZDUOGXODSRULS-UKRRQHHQSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccns2)[C@@H]1C ZINC000993611823 696258569 /nfs/dbraw/zinc/25/85/69/696258569.db2.gz HZDUOGXODSRULS-UKRRQHHQSA-N 2 2 333.461 1.817 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1Cc1cncn1C ZINC000993801908 696378470 /nfs/dbraw/zinc/37/84/70/696378470.db2.gz DDZBAXBAZFSPKR-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1Cc1cncn1C ZINC000993801908 696378474 /nfs/dbraw/zinc/37/84/74/696378474.db2.gz DDZBAXBAZFSPKR-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cncn1C ZINC000993801908 696378479 /nfs/dbraw/zinc/37/84/79/696378479.db2.gz DDZBAXBAZFSPKR-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1Cc1cncn1C ZINC000993801903 696378545 /nfs/dbraw/zinc/37/85/45/696378545.db2.gz DDZBAXBAZFSPKR-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1Cc1cncn1C ZINC000993801903 696378546 /nfs/dbraw/zinc/37/85/46/696378546.db2.gz DDZBAXBAZFSPKR-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cncn1C ZINC000993801903 696378548 /nfs/dbraw/zinc/37/85/48/696378548.db2.gz DDZBAXBAZFSPKR-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccnn3C)[C@H]2C)CC1 ZINC000994039097 696503236 /nfs/dbraw/zinc/50/32/36/696503236.db2.gz APWYUXAORSMIAZ-FUHWJXTLSA-N 2 2 347.507 1.621 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccnn3C)[C@H]2C)CC1 ZINC000994039097 696503238 /nfs/dbraw/zinc/50/32/38/696503238.db2.gz APWYUXAORSMIAZ-FUHWJXTLSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1nccnc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994404264 696827160 /nfs/dbraw/zinc/82/71/60/696827160.db2.gz FJHJQFYBHYWMCP-JKSUJKDBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994404264 696827164 /nfs/dbraw/zinc/82/71/64/696827164.db2.gz FJHJQFYBHYWMCP-JKSUJKDBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994414790 696840520 /nfs/dbraw/zinc/84/05/20/696840520.db2.gz YRQMAWHUDKYIGR-GUYCJALGSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994414790 696840523 /nfs/dbraw/zinc/84/05/23/696840523.db2.gz YRQMAWHUDKYIGR-GUYCJALGSA-N 2 2 345.447 1.966 20 0 EDADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994488559 696930403 /nfs/dbraw/zinc/93/04/03/696930403.db2.gz RBUFXYBQFRXFGH-YOEHRIQHSA-N 2 2 346.475 1.077 20 0 EDADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994488559 696930405 /nfs/dbraw/zinc/93/04/05/696930405.db2.gz RBUFXYBQFRXFGH-YOEHRIQHSA-N 2 2 346.475 1.077 20 0 EDADLP CCc1nocc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994503004 696940417 /nfs/dbraw/zinc/94/04/17/696940417.db2.gz DWQHMCSVSWFGMA-CZUORRHYSA-N 2 2 331.420 1.603 20 0 EDADLP CCc1nocc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994503004 696940420 /nfs/dbraw/zinc/94/04/20/696940420.db2.gz DWQHMCSVSWFGMA-CZUORRHYSA-N 2 2 331.420 1.603 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+]([C@@H](C)c3cc(C)ccc3C)C2)C1 ZINC001031414119 697061658 /nfs/dbraw/zinc/06/16/58/697061658.db2.gz GWFIAQLBYIYLKD-QFBILLFUSA-N 2 2 345.487 1.886 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+]([C@@H](C)c3cc(C)ccc3C)C2)C1 ZINC001031414119 697061660 /nfs/dbraw/zinc/06/16/60/697061660.db2.gz GWFIAQLBYIYLKD-QFBILLFUSA-N 2 2 345.487 1.886 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031418942 697072620 /nfs/dbraw/zinc/07/26/20/697072620.db2.gz PIEFUMCEQGLVKJ-UKRRQHHQSA-N 2 2 345.434 1.333 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031418942 697072624 /nfs/dbraw/zinc/07/26/24/697072624.db2.gz PIEFUMCEQGLVKJ-UKRRQHHQSA-N 2 2 345.434 1.333 20 0 EDADLP CC[C@@H](C[NH+]1CC(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1)OC ZINC001031671558 697468779 /nfs/dbraw/zinc/46/87/79/697468779.db2.gz YVUHDBLWLJOECG-INIZCTEOSA-N 2 2 330.432 1.729 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](CCn4cccn4)C3)ccn12 ZINC001031671029 697471698 /nfs/dbraw/zinc/47/16/98/697471698.db2.gz PVELYPISBODBSV-UHFFFAOYSA-N 2 2 338.415 1.201 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3cnc(C)cn3)C2)CC[N@@H+]1C ZINC001031686456 697516794 /nfs/dbraw/zinc/51/67/94/697516794.db2.gz PGQDYYABNDDAHI-UWWQBHOKSA-N 2 2 345.491 1.624 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3cnc(C)cn3)C2)CC[N@H+]1C ZINC001031686456 697516796 /nfs/dbraw/zinc/51/67/96/697516796.db2.gz PGQDYYABNDDAHI-UWWQBHOKSA-N 2 2 345.491 1.624 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001031713603 697734039 /nfs/dbraw/zinc/73/40/39/697734039.db2.gz CNKSQVSJUAFYGF-PBHICJAKSA-N 2 2 331.464 1.460 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001031713603 697734042 /nfs/dbraw/zinc/73/40/42/697734042.db2.gz CNKSQVSJUAFYGF-PBHICJAKSA-N 2 2 331.464 1.460 20 0 EDADLP C[C@H]1CC[C@H](C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)O1 ZINC000940083684 700178181 /nfs/dbraw/zinc/17/81/81/700178181.db2.gz SBWYKUPBDMXQAE-LSDHHAIUSA-N 2 2 334.464 1.881 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)s1 ZINC000943178027 697874397 /nfs/dbraw/zinc/87/43/97/697874397.db2.gz QZOGCXKHWQXONU-NHYWBVRUSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)s1 ZINC000943178027 697874399 /nfs/dbraw/zinc/87/43/99/697874399.db2.gz QZOGCXKHWQXONU-NHYWBVRUSA-N 2 2 333.461 1.744 20 0 EDADLP CCc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)no1 ZINC000995037754 700213542 /nfs/dbraw/zinc/21/35/42/700213542.db2.gz OIYTVVSWHYRKLG-KGLIPLIRSA-N 2 2 346.435 1.212 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nc(C)c(C)o2)C1 ZINC000995040015 700221339 /nfs/dbraw/zinc/22/13/39/700221339.db2.gz UXPVULHFOOWKDR-HOTGVXAUSA-N 2 2 345.447 1.871 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000184885081 698572315 /nfs/dbraw/zinc/57/23/15/698572315.db2.gz UHTYAHYUTPHVRL-RLFYNMQTSA-N 2 2 337.464 1.162 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000184885081 698572317 /nfs/dbraw/zinc/57/23/17/698572317.db2.gz UHTYAHYUTPHVRL-RLFYNMQTSA-N 2 2 337.464 1.162 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000184885081 698572319 /nfs/dbraw/zinc/57/23/19/698572319.db2.gz UHTYAHYUTPHVRL-RLFYNMQTSA-N 2 2 337.464 1.162 20 0 EDADLP CCOC(=O)[C@]1(C)CC(=O)N(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000184885081 698572321 /nfs/dbraw/zinc/57/23/21/698572321.db2.gz UHTYAHYUTPHVRL-RLFYNMQTSA-N 2 2 337.464 1.162 20 0 EDADLP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000943878241 698984281 /nfs/dbraw/zinc/98/42/81/698984281.db2.gz QLEDNZAUIUIADC-MAUKXSAKSA-N 2 2 342.443 1.695 20 0 EDADLP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000943878241 698984283 /nfs/dbraw/zinc/98/42/83/698984283.db2.gz QLEDNZAUIUIADC-MAUKXSAKSA-N 2 2 342.443 1.695 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000995157353 701564380 /nfs/dbraw/zinc/56/43/80/701564380.db2.gz BRNFHCJDHIEYBG-ZBFHGGJFSA-N 2 2 342.447 1.136 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC000995157558 701564806 /nfs/dbraw/zinc/56/48/06/701564806.db2.gz ZIOAFPYWKRZCIP-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3cc4c[nH+]ccc4[nH]3)C2)O1 ZINC001031773730 699132268 /nfs/dbraw/zinc/13/22/68/699132268.db2.gz ZGACXIHMVNRHBB-DOMZBBRYSA-N 2 2 328.416 1.792 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031774357 699145821 /nfs/dbraw/zinc/14/58/21/699145821.db2.gz YNNCHGVAKWBWDO-OAHLLOKOSA-N 2 2 336.867 1.767 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001031774357 699145822 /nfs/dbraw/zinc/14/58/22/699145822.db2.gz YNNCHGVAKWBWDO-OAHLLOKOSA-N 2 2 336.867 1.767 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC001031777216 699162736 /nfs/dbraw/zinc/16/27/36/699162736.db2.gz YSPFQSOZGAORGW-INIZCTEOSA-N 2 2 332.448 1.123 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)ccn1 ZINC001031777216 699162738 /nfs/dbraw/zinc/16/27/38/699162738.db2.gz YSPFQSOZGAORGW-INIZCTEOSA-N 2 2 332.448 1.123 20 0 EDADLP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031784444 699216642 /nfs/dbraw/zinc/21/66/42/699216642.db2.gz RUYMHBAOFSETAY-HNNXBMFYSA-N 2 2 332.448 1.063 20 0 EDADLP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784461 699216886 /nfs/dbraw/zinc/21/68/86/699216886.db2.gz SDQTZHSGWBNEKN-OAHLLOKOSA-N 2 2 332.448 1.063 20 0 EDADLP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1)OC ZINC001031787132 699241595 /nfs/dbraw/zinc/24/15/95/699241595.db2.gz BFZGZSUZMCVHGG-CABCVRRESA-N 2 2 334.464 1.296 20 0 EDADLP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1)OC ZINC001031787132 699241597 /nfs/dbraw/zinc/24/15/97/699241597.db2.gz BFZGZSUZMCVHGG-CABCVRRESA-N 2 2 334.464 1.296 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CC3=CCCCC3)C2)no1 ZINC001031800100 699332254 /nfs/dbraw/zinc/33/22/54/699332254.db2.gz RYDFCUXFYCIRJK-UHFFFAOYSA-N 2 2 332.448 1.898 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939209523 699355900 /nfs/dbraw/zinc/35/59/00/699355900.db2.gz HAQPMFKJSMLOFV-BDJLRTHQSA-N 2 2 334.370 1.867 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939210247 699357935 /nfs/dbraw/zinc/35/79/35/699357935.db2.gz MPKZQVLPHNNDQF-BZNIZROVSA-N 2 2 329.404 1.454 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cc1F ZINC000939211489 699359943 /nfs/dbraw/zinc/35/99/43/699359943.db2.gz SIVRLMFFURDOSA-LRDDRELGSA-N 2 2 346.406 1.737 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000939213488 699363227 /nfs/dbraw/zinc/36/32/27/699363227.db2.gz DPULPXUQAXUZIQ-SJCJKPOMSA-N 2 2 348.397 1.910 20 0 EDADLP Cc1ncccc1C[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031817168 699522027 /nfs/dbraw/zinc/52/20/27/699522027.db2.gz RPZCVGUNUQHPER-UHFFFAOYSA-N 2 2 335.411 1.900 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)o1 ZINC000939398890 699547913 /nfs/dbraw/zinc/54/79/13/699547913.db2.gz SOOXHDIGLZAFSB-WBVHZDCISA-N 2 2 348.491 1.905 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1F ZINC000939409364 699563652 /nfs/dbraw/zinc/56/36/52/699563652.db2.gz TYGGEWRWCCHXNP-SWLSCSKDSA-N 2 2 346.406 1.737 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000939413982 699567170 /nfs/dbraw/zinc/56/71/70/699567170.db2.gz SUDPXRCVWDJJPE-LRDDRELGSA-N 2 2 348.397 1.910 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939534560 699675541 /nfs/dbraw/zinc/67/55/41/699675541.db2.gz LSYLPRBXIOLGIN-DOMZBBRYSA-N 2 2 347.850 1.648 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939535054 699676287 /nfs/dbraw/zinc/67/62/87/699676287.db2.gz OTQPROGBVNDNLJ-JSGCOSHPSA-N 2 2 330.436 1.058 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939540857 699681696 /nfs/dbraw/zinc/68/16/96/699681696.db2.gz KFJJYRYUTGFAPQ-OCCSQVGLSA-N 2 2 330.436 1.058 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939540856 699681929 /nfs/dbraw/zinc/68/19/29/699681929.db2.gz KFJJYRYUTGFAPQ-JSGCOSHPSA-N 2 2 330.436 1.058 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939541996 699682774 /nfs/dbraw/zinc/68/27/74/699682774.db2.gz QRWRLBPMDBVWGL-IUODEOHRSA-N 2 2 345.422 1.858 20 0 EDADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)n1 ZINC000939622038 699758911 /nfs/dbraw/zinc/75/89/11/699758911.db2.gz HVVKTLODCWUKNC-MLGOLLRUSA-N 2 2 330.436 1.114 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939622328 699759100 /nfs/dbraw/zinc/75/91/00/699759100.db2.gz JXKGGDUCPUPDOH-DIFFPNOSSA-N 2 2 345.447 1.756 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000939624402 699762159 /nfs/dbraw/zinc/76/21/59/699762159.db2.gz XRORSWOAOBXTTE-BZNIZROVSA-N 2 2 347.850 1.946 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)s1 ZINC000939627409 699765298 /nfs/dbraw/zinc/76/52/98/699765298.db2.gz SJLGTHMUDMXCNJ-YGRLFVJLSA-N 2 2 333.461 1.662 20 0 EDADLP CCn1cc(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)cn1 ZINC000939628534 699766038 /nfs/dbraw/zinc/76/60/38/699766038.db2.gz ZUZVNBZTQWWPJT-DYVFJYSZSA-N 2 2 344.463 1.156 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000939643798 699783805 /nfs/dbraw/zinc/78/38/05/699783805.db2.gz WQZOMMMILAPMEG-MAUKXSAKSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)nn1C ZINC000939643872 699784159 /nfs/dbraw/zinc/78/41/59/699784159.db2.gz XTJDCRQOXSEGEO-SUMWQHHRSA-N 2 2 344.463 1.031 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ncc(C(C)C)o2)C1 ZINC000939752765 699902060 /nfs/dbraw/zinc/90/20/60/699902060.db2.gz ABPNFRVEHXCIRE-HIFRSBDPSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)c(C)o1 ZINC000939755044 699906217 /nfs/dbraw/zinc/90/62/17/699906217.db2.gz OSKHQHZOXAKUKI-MEDUHNTESA-N 2 2 331.420 1.433 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2nc(C3CC3)no2)[C@@H](C)C1 ZINC000939755051 699906222 /nfs/dbraw/zinc/90/62/22/699906222.db2.gz OUFXPTXMAUNJSX-FZMZJTMJSA-N 2 2 344.419 1.089 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000939757064 699923931 /nfs/dbraw/zinc/92/39/31/699923931.db2.gz XENCTKNIEOWRSG-WMLDXEAASA-N 2 2 344.463 1.606 20 0 EDADLP Cc1oncc1C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001031849831 699933175 /nfs/dbraw/zinc/93/31/75/699933175.db2.gz BYESYZDHVXZONX-UHFFFAOYSA-N 2 2 325.372 1.493 20 0 EDADLP O=C(NCC1C[NH+](CC2CCCC2)C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001031876196 700389423 /nfs/dbraw/zinc/38/94/23/700389423.db2.gz OIGNGFNLYXHMRH-LJQANCHMSA-N 2 2 349.519 1.726 20 0 EDADLP O=C(NCC1C[NH+](CC2CCCC2)C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001031876196 700389427 /nfs/dbraw/zinc/38/94/27/700389427.db2.gz OIGNGFNLYXHMRH-LJQANCHMSA-N 2 2 349.519 1.726 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000940227652 700391965 /nfs/dbraw/zinc/39/19/65/700391965.db2.gz CCOPLZMTTOLDKN-UHFFFAOYSA-N 2 2 347.488 1.980 20 0 EDADLP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243510 700404855 /nfs/dbraw/zinc/40/48/55/700404855.db2.gz SMPDHQVHQJMXRZ-UHFFFAOYSA-N 2 2 330.436 1.178 20 0 EDADLP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243565 700405102 /nfs/dbraw/zinc/40/51/02/700405102.db2.gz WWFRLQIYCAYKPU-UHFFFAOYSA-N 2 2 332.408 1.136 20 0 EDADLP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)s1 ZINC000940355795 700517481 /nfs/dbraw/zinc/51/74/81/700517481.db2.gz APJRXYZCGVCZHP-UHFFFAOYSA-N 2 2 348.476 1.537 20 0 EDADLP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000940483223 700671160 /nfs/dbraw/zinc/67/11/60/700671160.db2.gz FJJDOZZIJSGMQR-UHFFFAOYSA-N 2 2 330.436 1.270 20 0 EDADLP CC[C@H](C[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1)OC ZINC001032122734 701661840 /nfs/dbraw/zinc/66/18/40/701661840.db2.gz BZVXQRZHLPOJTR-MRXNPFEDSA-N 2 2 343.431 1.354 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940621383 700782458 /nfs/dbraw/zinc/78/24/58/700782458.db2.gz RNYZZKWQNTYHNF-JKSUJKDBSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940621383 700782460 /nfs/dbraw/zinc/78/24/60/700782460.db2.gz RNYZZKWQNTYHNF-JKSUJKDBSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940621383 700782461 /nfs/dbraw/zinc/78/24/61/700782461.db2.gz RNYZZKWQNTYHNF-JKSUJKDBSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940621383 700782463 /nfs/dbraw/zinc/78/24/63/700782463.db2.gz RNYZZKWQNTYHNF-JKSUJKDBSA-N 2 2 345.491 1.596 20 0 EDADLP CC1(C)C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940744796 700882754 /nfs/dbraw/zinc/88/27/54/700882754.db2.gz LHEUBMZCPJGGNG-SJORKVTESA-N 2 2 346.475 1.733 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940744796 700882756 /nfs/dbraw/zinc/88/27/56/700882756.db2.gz LHEUBMZCPJGGNG-SJORKVTESA-N 2 2 346.475 1.733 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995108463 700965571 /nfs/dbraw/zinc/96/55/71/700965571.db2.gz UPMDJILLJYCHAB-UONOGXRCSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000940892251 700967365 /nfs/dbraw/zinc/96/73/65/700967365.db2.gz ATBKGKBEXMAISH-AWEZNQCLSA-N 2 2 348.476 1.460 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000940892251 700967366 /nfs/dbraw/zinc/96/73/66/700967366.db2.gz ATBKGKBEXMAISH-AWEZNQCLSA-N 2 2 348.476 1.460 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000940893014 700968042 /nfs/dbraw/zinc/96/80/42/700968042.db2.gz MHVDUCODZNFVSM-HNNXBMFYSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000940893014 700968043 /nfs/dbraw/zinc/96/80/43/700968043.db2.gz MHVDUCODZNFVSM-HNNXBMFYSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cs1 ZINC000995114407 701042856 /nfs/dbraw/zinc/04/28/56/701042856.db2.gz HZRIBPKMWWJRHW-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP O=C(NCC1C[NH+](CCC2CC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001031920426 701058339 /nfs/dbraw/zinc/05/83/39/701058339.db2.gz FLQGPNZATLNWPT-SFHVURJKSA-N 2 2 335.492 1.478 20 0 EDADLP O=C(NCC1C[NH+](CCC2CC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001031920426 701058341 /nfs/dbraw/zinc/05/83/41/701058341.db2.gz FLQGPNZATLNWPT-SFHVURJKSA-N 2 2 335.492 1.478 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920796 701059558 /nfs/dbraw/zinc/05/95/58/701059558.db2.gz RPZKDMOYUVRQGR-QAPCUYQASA-N 2 2 337.508 1.724 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920796 701059560 /nfs/dbraw/zinc/05/95/60/701059560.db2.gz RPZKDMOYUVRQGR-QAPCUYQASA-N 2 2 337.508 1.724 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026814 701066248 /nfs/dbraw/zinc/06/62/48/701066248.db2.gz OFFCOOYQVNDZAF-BBRMVZONSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026814 701066250 /nfs/dbraw/zinc/06/62/50/701066250.db2.gz OFFCOOYQVNDZAF-BBRMVZONSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026814 701066251 /nfs/dbraw/zinc/06/62/51/701066251.db2.gz OFFCOOYQVNDZAF-BBRMVZONSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026814 701066252 /nfs/dbraw/zinc/06/62/52/701066252.db2.gz OFFCOOYQVNDZAF-BBRMVZONSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)sc1C ZINC000945806538 701196779 /nfs/dbraw/zinc/19/67/79/701196779.db2.gz DXJYBHDTNOKFAX-DOMZBBRYSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)sc1C ZINC000945806538 701196780 /nfs/dbraw/zinc/19/67/80/701196780.db2.gz DXJYBHDTNOKFAX-DOMZBBRYSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945807454 701198242 /nfs/dbraw/zinc/19/82/42/701198242.db2.gz JTLPPCKMHVICHN-DZGCQCFKSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945807454 701198243 /nfs/dbraw/zinc/19/82/43/701198243.db2.gz JTLPPCKMHVICHN-DZGCQCFKSA-N 2 2 328.420 1.008 20 0 EDADLP CCn1cc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cn1 ZINC000945809015 701200452 /nfs/dbraw/zinc/20/04/52/701200452.db2.gz QQWUPFIAHYIZLO-NVXWUHKLSA-N 2 2 344.463 1.169 20 0 EDADLP CCn1cc(CC[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cn1 ZINC000945809015 701200454 /nfs/dbraw/zinc/20/04/54/701200454.db2.gz QQWUPFIAHYIZLO-NVXWUHKLSA-N 2 2 344.463 1.169 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)C2)on1 ZINC000941167100 701378086 /nfs/dbraw/zinc/37/80/86/701378086.db2.gz RBKSJIGKOISIJL-INIZCTEOSA-N 2 2 345.447 1.676 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)C2)on1 ZINC000941167100 701378087 /nfs/dbraw/zinc/37/80/87/701378087.db2.gz RBKSJIGKOISIJL-INIZCTEOSA-N 2 2 345.447 1.676 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)C2)o1 ZINC000941221648 701412554 /nfs/dbraw/zinc/41/25/54/701412554.db2.gz ZVZYFRJCWZHVOH-HNNXBMFYSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)C2)o1 ZINC000941221648 701412555 /nfs/dbraw/zinc/41/25/55/701412555.db2.gz ZVZYFRJCWZHVOH-HNNXBMFYSA-N 2 2 345.447 1.905 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCc1ccsc1 ZINC001032652657 706623307 /nfs/dbraw/zinc/62/33/07/706623307.db2.gz VSNOLXPYYBWGEM-HOTGVXAUSA-N 2 2 330.457 1.932 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCc1ccsc1 ZINC001032652657 706623309 /nfs/dbraw/zinc/62/33/09/706623309.db2.gz VSNOLXPYYBWGEM-HOTGVXAUSA-N 2 2 330.457 1.932 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@@H]1C ZINC000944445504 702033963 /nfs/dbraw/zinc/03/39/63/702033963.db2.gz PDXPSABAVFMRKG-XJKSGUPXSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCc2cnn(C)c2)C[C@@H]1C ZINC000944445504 702033970 /nfs/dbraw/zinc/03/39/70/702033970.db2.gz PDXPSABAVFMRKG-XJKSGUPXSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)co1 ZINC000995186101 702181054 /nfs/dbraw/zinc/18/10/54/702181054.db2.gz OMGANPCPQIZCPD-UONOGXRCSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1cccnc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944097255 702262387 /nfs/dbraw/zinc/26/23/87/702262387.db2.gz FRLLRAYAIIUXSF-NVXWUHKLSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1cccnc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944097255 702262391 /nfs/dbraw/zinc/26/23/91/702262391.db2.gz FRLLRAYAIIUXSF-NVXWUHKLSA-N 2 2 341.459 1.693 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944098192 702266504 /nfs/dbraw/zinc/26/65/04/702266504.db2.gz MTRNDGKMMSGCIV-WMLDXEAASA-N 2 2 327.432 1.384 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944098192 702266511 /nfs/dbraw/zinc/26/65/11/702266511.db2.gz MTRNDGKMMSGCIV-WMLDXEAASA-N 2 2 327.432 1.384 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995916552 702277682 /nfs/dbraw/zinc/27/76/82/702277682.db2.gz IWKVUJPMXOXYPK-OAHLLOKOSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995916552 702277684 /nfs/dbraw/zinc/27/76/84/702277684.db2.gz IWKVUJPMXOXYPK-OAHLLOKOSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995975244 702331897 /nfs/dbraw/zinc/33/18/97/702331897.db2.gz IXPKMKUENQSQPU-HOTGVXAUSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995975244 702331905 /nfs/dbraw/zinc/33/19/05/702331905.db2.gz IXPKMKUENQSQPU-HOTGVXAUSA-N 2 2 345.491 1.596 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C)C(N)=O ZINC000995985766 702347105 /nfs/dbraw/zinc/34/71/05/702347105.db2.gz XHIHGVCZROXNGT-DOMZBBRYSA-N 2 2 343.431 1.267 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031986702 702386222 /nfs/dbraw/zinc/38/62/22/702386222.db2.gz CIFSDGHVDVJOEV-BZUAXINKSA-N 2 2 346.475 1.387 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996077002 702525582 /nfs/dbraw/zinc/52/55/82/702525582.db2.gz XHBLVENCNPOBLP-HNNXBMFYSA-N 2 2 344.463 1.113 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000996194060 702620701 /nfs/dbraw/zinc/62/07/01/702620701.db2.gz XCXPXHSPBLLXIR-IAGOWNOFSA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC000996194060 702620702 /nfs/dbraw/zinc/62/07/02/702620702.db2.gz XCXPXHSPBLLXIR-IAGOWNOFSA-N 2 2 337.508 1.865 20 0 EDADLP CC1(C)CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1[NH2+]CC1CC1 ZINC000996376387 702742589 /nfs/dbraw/zinc/74/25/89/702742589.db2.gz OLQVBZQRXYWTHQ-KRWDZBQOSA-N 2 2 349.519 1.868 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)[nH]1 ZINC000942257527 702748766 /nfs/dbraw/zinc/74/87/66/702748766.db2.gz MGEMXMLICYIQJV-UKRRQHHQSA-N 2 2 346.479 1.068 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)[nH]1 ZINC000942257527 702748769 /nfs/dbraw/zinc/74/87/69/702748769.db2.gz MGEMXMLICYIQJV-UKRRQHHQSA-N 2 2 346.479 1.068 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)cn1 ZINC000996458977 702803683 /nfs/dbraw/zinc/80/36/83/702803683.db2.gz YMOIURFXWSTISC-CQSZACIVSA-N 2 2 328.420 1.077 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC000996513800 702833287 /nfs/dbraw/zinc/83/32/87/702833287.db2.gz JRMCLRISCBYEAQ-JKSUJKDBSA-N 2 2 334.464 1.358 20 0 EDADLP CCc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC000995231437 702843702 /nfs/dbraw/zinc/84/37/02/702843702.db2.gz BELYENLGBAYDGF-LSDHHAIUSA-N 2 2 345.447 1.817 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1 ZINC000996515325 702851066 /nfs/dbraw/zinc/85/10/66/702851066.db2.gz QMNPBIRJMNCNLP-GDBMZVCRSA-N 2 2 334.464 1.216 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)o1 ZINC000996520151 702856004 /nfs/dbraw/zinc/85/60/04/702856004.db2.gz NLWXULDOSZMTQI-CYBMUJFWSA-N 2 2 347.463 1.054 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)C(C)(C)C1 ZINC000996576279 702889546 /nfs/dbraw/zinc/88/95/46/702889546.db2.gz WSOAQJFTUPKAFE-GOEBONIOSA-N 2 2 334.464 1.216 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996608179 702911689 /nfs/dbraw/zinc/91/16/89/702911689.db2.gz BVPSAXONZJVHOP-SMDDNHRTSA-N 2 2 346.435 1.471 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000996649072 702950642 /nfs/dbraw/zinc/95/06/42/702950642.db2.gz BDCGZZYPEGFSGK-SFHVURJKSA-N 2 2 348.491 1.864 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000996649072 702950643 /nfs/dbraw/zinc/95/06/43/702950643.db2.gz BDCGZZYPEGFSGK-SFHVURJKSA-N 2 2 348.491 1.864 20 0 EDADLP CCc1nocc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995248442 702967470 /nfs/dbraw/zinc/96/74/70/702967470.db2.gz KQZHWPPKPLKQNJ-UKRRQHHQSA-N 2 2 331.420 1.508 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000995251962 702981632 /nfs/dbraw/zinc/98/16/32/702981632.db2.gz RCLJGFPGINFMLH-HUUCEWRRSA-N 2 2 328.420 1.056 20 0 EDADLP Cn1cc(CC[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cn1 ZINC000996684385 702982069 /nfs/dbraw/zinc/98/20/69/702982069.db2.gz LRYYXWWBGQSROJ-HZPDHXFCSA-N 2 2 342.447 1.070 20 0 EDADLP Cn1cc(CC[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cn1 ZINC000996684385 702982072 /nfs/dbraw/zinc/98/20/72/702982072.db2.gz LRYYXWWBGQSROJ-HZPDHXFCSA-N 2 2 342.447 1.070 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996717532 703011151 /nfs/dbraw/zinc/01/11/51/703011151.db2.gz PTZOPUPPJPLZSE-QGZVFWFLSA-N 2 2 347.459 1.782 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996740112 703035333 /nfs/dbraw/zinc/03/53/33/703035333.db2.gz SEEDVWRITIWRIO-RDJZCZTQSA-N 2 2 346.475 1.595 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996741259 703036214 /nfs/dbraw/zinc/03/62/14/703036214.db2.gz ZBFJVOVHWLEWMF-HUUCEWRRSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC000996800649 703086737 /nfs/dbraw/zinc/08/67/37/703086737.db2.gz HCWNPZQGGASCFZ-GFCCVEGCSA-N 2 2 332.408 1.225 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000996798312 703090361 /nfs/dbraw/zinc/09/03/61/703090361.db2.gz LFWHEHUYTPBREG-UHFFFAOYSA-N 2 2 344.419 1.233 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060770403 703108825 /nfs/dbraw/zinc/10/88/25/703108825.db2.gz WGRAPAOEDLTWKQ-WKILWMFISA-N 2 2 349.479 1.016 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001060770403 703108827 /nfs/dbraw/zinc/10/88/27/703108827.db2.gz WGRAPAOEDLTWKQ-WKILWMFISA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC000996821724 703109156 /nfs/dbraw/zinc/10/91/56/703109156.db2.gz ACEABJMQGALORI-DGCLKSJQSA-N 2 2 332.370 1.977 20 0 EDADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC000996821724 703109159 /nfs/dbraw/zinc/10/91/59/703109159.db2.gz ACEABJMQGALORI-DGCLKSJQSA-N 2 2 332.370 1.977 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942596894 703111521 /nfs/dbraw/zinc/11/15/21/703111521.db2.gz HSCSALAQOAGQNA-DOMZBBRYSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942596894 703111524 /nfs/dbraw/zinc/11/15/24/703111524.db2.gz HSCSALAQOAGQNA-DOMZBBRYSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)s1 ZINC000996858451 703142734 /nfs/dbraw/zinc/14/27/34/703142734.db2.gz IRRRMZREFBGNBD-LBPRGKRZSA-N 2 2 348.476 1.775 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC000996860472 703143970 /nfs/dbraw/zinc/14/39/70/703143970.db2.gz SASHSTSWAYKJEO-YJBOKZPZSA-N 2 2 332.448 1.280 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC([NH2+]CCF)CC1 ZINC000996866349 703148094 /nfs/dbraw/zinc/14/80/94/703148094.db2.gz WZMZFMCLSWQZIY-MRXNPFEDSA-N 2 2 327.444 1.037 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC([NH2+]CCF)CC1 ZINC000996866349 703148096 /nfs/dbraw/zinc/14/80/96/703148096.db2.gz WZMZFMCLSWQZIY-MRXNPFEDSA-N 2 2 327.444 1.037 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996979012 703234063 /nfs/dbraw/zinc/23/40/63/703234063.db2.gz LFEQRGZDGKQMLY-DOMZBBRYSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000996979012 703234064 /nfs/dbraw/zinc/23/40/64/703234064.db2.gz LFEQRGZDGKQMLY-DOMZBBRYSA-N 2 2 335.452 1.189 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996986841 703244599 /nfs/dbraw/zinc/24/45/99/703244599.db2.gz CPXJNOHMMYRJPJ-HOTGVXAUSA-N 2 2 346.475 1.979 20 0 EDADLP CC(C)(C)n1cc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)nn1 ZINC000997041391 703291653 /nfs/dbraw/zinc/29/16/53/703291653.db2.gz JVPBWZIMSNSEQF-UHFFFAOYSA-N 2 2 345.451 1.080 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1)n1cc[nH+]c1 ZINC000997046973 703295645 /nfs/dbraw/zinc/29/56/45/703295645.db2.gz SGOWJVBUCDKGNB-ZBFHGGJFSA-N 2 2 347.463 1.036 20 0 EDADLP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000997083719 703321859 /nfs/dbraw/zinc/32/18/59/703321859.db2.gz INYGUYZOZAYZQX-SYJJWHGVSA-N 2 2 348.491 1.984 20 0 EDADLP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000997083719 703321862 /nfs/dbraw/zinc/32/18/62/703321862.db2.gz INYGUYZOZAYZQX-SYJJWHGVSA-N 2 2 348.491 1.984 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821378 703329624 /nfs/dbraw/zinc/32/96/24/703329624.db2.gz DYGTUWDMZDIPRB-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821378 703329625 /nfs/dbraw/zinc/32/96/25/703329625.db2.gz DYGTUWDMZDIPRB-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@@H]1C[NH+](Cc2cnon2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821378 703329628 /nfs/dbraw/zinc/32/96/28/703329628.db2.gz DYGTUWDMZDIPRB-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@@H]1C[NH+](Cc2cnon2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821378 703329629 /nfs/dbraw/zinc/32/96/29/703329629.db2.gz DYGTUWDMZDIPRB-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H](C)C2)o1 ZINC000942823361 703331927 /nfs/dbraw/zinc/33/19/27/703331927.db2.gz UKXSTLWJIOOLFU-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H](C)C2)o1 ZINC000942823361 703331928 /nfs/dbraw/zinc/33/19/28/703331928.db2.gz UKXSTLWJIOOLFU-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H](C)C2)o1 ZINC000942823361 703331932 /nfs/dbraw/zinc/33/19/32/703331932.db2.gz UKXSTLWJIOOLFU-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@H](C)C2)o1 ZINC000942823361 703331935 /nfs/dbraw/zinc/33/19/35/703331935.db2.gz UKXSTLWJIOOLFU-HIFRSBDPSA-N 2 2 349.479 1.437 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000997181248 703471687 /nfs/dbraw/zinc/47/16/87/703471687.db2.gz YBEUJDJDIMIVDA-UHFFFAOYSA-N 2 2 344.419 1.004 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000997236290 703523391 /nfs/dbraw/zinc/52/33/91/703523391.db2.gz KFWYUBNKZQHHHA-QGZVFWFLSA-N 2 2 334.464 1.502 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997238057 703524598 /nfs/dbraw/zinc/52/45/98/703524598.db2.gz TTZHJHPFKZMTLL-HNNXBMFYSA-N 2 2 334.464 1.360 20 0 EDADLP CC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001032488665 703763683 /nfs/dbraw/zinc/76/36/83/703763683.db2.gz FJSNHFPVRAAMKG-WUCCLRPBSA-N 2 2 332.448 1.681 20 0 EDADLP CC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001032488665 703763684 /nfs/dbraw/zinc/76/36/84/703763684.db2.gz FJSNHFPVRAAMKG-WUCCLRPBSA-N 2 2 332.448 1.681 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001004207561 703966192 /nfs/dbraw/zinc/96/61/92/703966192.db2.gz GEDWHNPXFACUPX-KRWDZBQOSA-N 2 2 345.491 1.740 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001004207561 703966194 /nfs/dbraw/zinc/96/61/94/703966194.db2.gz GEDWHNPXFACUPX-KRWDZBQOSA-N 2 2 345.491 1.740 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033081675 704136967 /nfs/dbraw/zinc/13/69/67/704136967.db2.gz NKTWBHHTOCYKQD-DOTOQJQBSA-N 2 2 346.475 1.612 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033081675 704136971 /nfs/dbraw/zinc/13/69/71/704136971.db2.gz NKTWBHHTOCYKQD-DOTOQJQBSA-N 2 2 346.475 1.612 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)o1 ZINC001033092310 704168572 /nfs/dbraw/zinc/16/85/72/704168572.db2.gz RGTFRJYGUJWYIE-DAXOMENPSA-N 2 2 334.464 1.664 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)o1 ZINC001033092310 704168575 /nfs/dbraw/zinc/16/85/75/704168575.db2.gz RGTFRJYGUJWYIE-DAXOMENPSA-N 2 2 334.464 1.664 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)o1 ZINC001033092310 704168577 /nfs/dbraw/zinc/16/85/77/704168577.db2.gz RGTFRJYGUJWYIE-DAXOMENPSA-N 2 2 334.464 1.664 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)o1 ZINC001033092310 704168580 /nfs/dbraw/zinc/16/85/80/704168580.db2.gz RGTFRJYGUJWYIE-DAXOMENPSA-N 2 2 334.464 1.664 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnnn3CC)C2)CC[N@@H+]1C ZINC001033095757 704183364 /nfs/dbraw/zinc/18/33/64/704183364.db2.gz DTUZYGYTVZYLMN-BHYGNILZSA-N 2 2 348.495 1.061 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnnn3CC)C2)CC[N@H+]1C ZINC001033095757 704183367 /nfs/dbraw/zinc/18/33/67/704183367.db2.gz DTUZYGYTVZYLMN-BHYGNILZSA-N 2 2 348.495 1.061 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cnnn3CC)C2)CC[NH+]1C ZINC001033095757 704183370 /nfs/dbraw/zinc/18/33/70/704183370.db2.gz DTUZYGYTVZYLMN-BHYGNILZSA-N 2 2 348.495 1.061 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)CC[NH+]1C ZINC001033095757 704183372 /nfs/dbraw/zinc/18/33/72/704183372.db2.gz DTUZYGYTVZYLMN-BHYGNILZSA-N 2 2 348.495 1.061 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CCO1 ZINC000997818006 704735250 /nfs/dbraw/zinc/73/52/50/704735250.db2.gz RMWSOGDWYRLCNG-RDJZCZTQSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CCO1 ZINC000997818006 704735253 /nfs/dbraw/zinc/73/52/53/704735253.db2.gz RMWSOGDWYRLCNG-RDJZCZTQSA-N 2 2 348.491 1.986 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997871094 704777219 /nfs/dbraw/zinc/77/72/19/704777219.db2.gz GTJICDGMDLMRJR-IAGOWNOFSA-N 2 2 346.475 1.310 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997873328 704778551 /nfs/dbraw/zinc/77/85/51/704778551.db2.gz PGGAYTNWFYSCLX-OAHLLOKOSA-N 2 2 343.431 1.462 20 0 EDADLP C[C@H]1C[N@H+](Cc2nc(C3CC3)no2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944991 704797867 /nfs/dbraw/zinc/79/78/67/704797867.db2.gz PRSKEPSSYLCABE-ZFWWWQNUSA-N 2 2 347.463 1.369 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nc(C3CC3)no2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944991 704797869 /nfs/dbraw/zinc/79/78/69/704797869.db2.gz PRSKEPSSYLCABE-ZFWWWQNUSA-N 2 2 347.463 1.369 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944963717 704830206 /nfs/dbraw/zinc/83/02/06/704830206.db2.gz CUNPNVQGPYASDC-RISCZKNCSA-N 2 2 348.476 1.378 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944963717 704830209 /nfs/dbraw/zinc/83/02/09/704830209.db2.gz CUNPNVQGPYASDC-RISCZKNCSA-N 2 2 348.476 1.378 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO[C@@H]1CC1(F)F ZINC001032573356 704949122 /nfs/dbraw/zinc/94/91/22/704949122.db2.gz HELQQCPOEGRBQY-ZQDZILKHSA-N 2 2 343.418 1.180 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO[C@@H]1CC1(F)F ZINC001032573356 704949127 /nfs/dbraw/zinc/94/91/27/704949127.db2.gz HELQQCPOEGRBQY-ZQDZILKHSA-N 2 2 343.418 1.180 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO[C@@H]1CC1(F)F ZINC001032573356 704949131 /nfs/dbraw/zinc/94/91/31/704949131.db2.gz HELQQCPOEGRBQY-ZQDZILKHSA-N 2 2 343.418 1.180 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO[C@@H]1CC1(F)F ZINC001032573356 704949137 /nfs/dbraw/zinc/94/91/37/704949137.db2.gz HELQQCPOEGRBQY-ZQDZILKHSA-N 2 2 343.418 1.180 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)on1 ZINC000997951741 705072002 /nfs/dbraw/zinc/07/20/02/705072002.db2.gz JVBCNYWSLPKQLL-UHFFFAOYSA-N 2 2 331.420 1.598 20 0 EDADLP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000998138387 705403944 /nfs/dbraw/zinc/40/39/44/705403944.db2.gz HJFGYJHWXSTTLP-ZDUSSCGKSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000998138387 705403949 /nfs/dbraw/zinc/40/39/49/705403949.db2.gz HJFGYJHWXSTTLP-ZDUSSCGKSA-N 2 2 345.447 1.913 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998139169 705405697 /nfs/dbraw/zinc/40/56/97/705405697.db2.gz OQKGBYPSHFNBCM-WBVHZDCISA-N 2 2 348.491 1.843 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998139169 705405699 /nfs/dbraw/zinc/40/56/99/705405699.db2.gz OQKGBYPSHFNBCM-WBVHZDCISA-N 2 2 348.491 1.843 20 0 EDADLP COc1nscc1C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000998181112 705481144 /nfs/dbraw/zinc/48/11/44/705481144.db2.gz FUKVINZXNJISLJ-UHFFFAOYSA-N 2 2 349.460 1.446 20 0 EDADLP Cc1ccc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c(C)n1 ZINC000998298455 705701887 /nfs/dbraw/zinc/70/18/87/705701887.db2.gz ZDKUMHJWQIRAGK-UHFFFAOYSA-N 2 2 341.459 1.923 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000998938815 706378393 /nfs/dbraw/zinc/37/83/93/706378393.db2.gz IGFLYOCSILMDNY-BHUNQDJPSA-N 2 2 346.475 1.909 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000998938815 706378396 /nfs/dbraw/zinc/37/83/96/706378396.db2.gz IGFLYOCSILMDNY-BHUNQDJPSA-N 2 2 346.475 1.909 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000998987554 706419450 /nfs/dbraw/zinc/41/94/50/706419450.db2.gz ORJDLPJBHRNDTB-OOHWJJMZSA-N 2 2 347.459 1.638 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999036188 706450963 /nfs/dbraw/zinc/45/09/63/706450963.db2.gz SPGBAKKJWQGWAY-HNNXBMFYSA-N 2 2 331.395 1.657 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999036210 706451052 /nfs/dbraw/zinc/45/10/52/706451052.db2.gz TXPZHPMNACJCMI-AWEZNQCLSA-N 2 2 345.447 1.982 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999036211 706451171 /nfs/dbraw/zinc/45/11/71/706451171.db2.gz TXPZHPMNACJCMI-CQSZACIVSA-N 2 2 345.447 1.982 20 0 EDADLP CN(C(=O)c1cc(C[NH+](C)C)on1)C1CC([NH2+]Cc2ccns2)C1 ZINC000999022660 706459823 /nfs/dbraw/zinc/45/98/23/706459823.db2.gz DTYGGXUUVIZCAP-UHFFFAOYSA-N 2 2 349.460 1.586 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)cs1 ZINC000999043769 706485074 /nfs/dbraw/zinc/48/50/74/706485074.db2.gz JVSMGCMJLSAMDF-ZDUSSCGKSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1cc(C)c(C(=O)N(C)C2CC([NH2+][C@H]3CCCNC3=O)C2)c(C)[nH+]1 ZINC000999146349 706560141 /nfs/dbraw/zinc/56/01/41/706560141.db2.gz XQBMVSKXIZPBBI-GPANFISMSA-N 2 2 344.459 1.478 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)s1 ZINC000999320496 706820558 /nfs/dbraw/zinc/82/05/58/706820558.db2.gz ZQPBHUKUCHWGRZ-CQSZACIVSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)s1 ZINC000999320496 706820559 /nfs/dbraw/zinc/82/05/59/706820559.db2.gz ZQPBHUKUCHWGRZ-CQSZACIVSA-N 2 2 333.461 1.888 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999371917 706886023 /nfs/dbraw/zinc/88/60/23/706886023.db2.gz NJPDVCVMVAEGKH-LSDHHAIUSA-N 2 2 329.404 1.529 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1)[NH+](C)C ZINC000999431773 706939386 /nfs/dbraw/zinc/93/93/86/706939386.db2.gz DYEMJBSNLDVTGK-HOCLYGCPSA-N 2 2 349.479 1.614 20 0 EDADLP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000999501047 706998682 /nfs/dbraw/zinc/99/86/82/706998682.db2.gz DVPGTBNLLNGULA-CQSZACIVSA-N 2 2 338.415 1.691 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999534982 707035586 /nfs/dbraw/zinc/03/55/86/707035586.db2.gz IVXJJKUBJZQTQL-CABCVRRESA-N 2 2 343.431 1.523 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000999537350 707038045 /nfs/dbraw/zinc/03/80/45/707038045.db2.gz RPSMLLRBCXGFAZ-GDBMZVCRSA-N 2 2 343.431 1.523 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000999683280 707167955 /nfs/dbraw/zinc/16/79/55/707167955.db2.gz QBHGGHYKNIILCZ-LSDHHAIUSA-N 2 2 328.416 1.565 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033266679 707294724 /nfs/dbraw/zinc/29/47/24/707294724.db2.gz PQVAQWMLDBWNPA-INIZCTEOSA-N 2 2 343.431 1.328 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033266679 707294726 /nfs/dbraw/zinc/29/47/26/707294726.db2.gz PQVAQWMLDBWNPA-INIZCTEOSA-N 2 2 343.431 1.328 20 0 EDADLP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000999746699 707346677 /nfs/dbraw/zinc/34/66/77/707346677.db2.gz JVCTXODYOFIFMP-UHFFFAOYSA-N 2 2 330.436 1.256 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ncnn2C(C)C)C1 ZINC000999746549 707346713 /nfs/dbraw/zinc/34/67/13/707346713.db2.gz IEMVBEORANGEHK-UHFFFAOYSA-N 2 2 345.451 1.212 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](CC3CCOCC3)C2)c[nH+]1 ZINC001033191479 707397994 /nfs/dbraw/zinc/39/79/94/707397994.db2.gz KMRQCYNALGQONG-QGZVFWFLSA-N 2 2 348.491 1.886 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCOCC3)C2)c[nH+]1 ZINC001033191479 707397998 /nfs/dbraw/zinc/39/79/98/707397998.db2.gz KMRQCYNALGQONG-QGZVFWFLSA-N 2 2 348.491 1.886 20 0 EDADLP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999837866 707409042 /nfs/dbraw/zinc/40/90/42/707409042.db2.gz TVERXGNDAJNADP-INIZCTEOSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197048 707413045 /nfs/dbraw/zinc/41/30/45/707413045.db2.gz GREVNACEABLLRD-WBVHZDCISA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197048 707413047 /nfs/dbraw/zinc/41/30/47/707413047.db2.gz GREVNACEABLLRD-WBVHZDCISA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033197048 707413051 /nfs/dbraw/zinc/41/30/51/707413051.db2.gz GREVNACEABLLRD-WBVHZDCISA-N 2 2 331.464 1.302 20 0 EDADLP Cc1nccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033197048 707413052 /nfs/dbraw/zinc/41/30/52/707413052.db2.gz GREVNACEABLLRD-WBVHZDCISA-N 2 2 331.464 1.302 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999843646 707417785 /nfs/dbraw/zinc/41/77/85/707417785.db2.gz VRCPJRIDSQYJFH-HNNXBMFYSA-N 2 2 345.447 1.913 20 0 EDADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000999824187 707452301 /nfs/dbraw/zinc/45/23/01/707452301.db2.gz WGTDKJPIOIINAZ-ZBFHGGJFSA-N 2 2 328.416 1.447 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC000999828126 707456720 /nfs/dbraw/zinc/45/67/20/707456720.db2.gz CXMFDFCMKIURAV-IYXRBSQSSA-N 2 2 349.479 1.398 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2noc(C(C)(C)C)n2)C1 ZINC000999828126 707456723 /nfs/dbraw/zinc/45/67/23/707456723.db2.gz CXMFDFCMKIURAV-IYXRBSQSSA-N 2 2 349.479 1.398 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)no1 ZINC000999832184 707462387 /nfs/dbraw/zinc/46/23/87/707462387.db2.gz QADGBTXYWFCCTE-HSBZDZAISA-N 2 2 335.452 1.053 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)no1 ZINC000999832184 707462392 /nfs/dbraw/zinc/46/23/92/707462392.db2.gz QADGBTXYWFCCTE-HSBZDZAISA-N 2 2 335.452 1.053 20 0 EDADLP CCc1nnc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3C)C2)s1 ZINC000999835087 707468433 /nfs/dbraw/zinc/46/84/33/707468433.db2.gz DJYXRBHWNYFCJA-UHFFFAOYSA-N 2 2 348.476 1.385 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1nncs1 ZINC001004904834 707598876 /nfs/dbraw/zinc/59/88/76/707598876.db2.gz ZSRLASLTACLZCA-KGLIPLIRSA-N 2 2 348.476 1.602 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044819289 707599411 /nfs/dbraw/zinc/59/94/11/707599411.db2.gz JWANZEFXTHJCSN-JSGCOSHPSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033211003 707671683 /nfs/dbraw/zinc/67/16/83/707671683.db2.gz ZDUQWNKLVFTGGH-ZBFHGGJFSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033211003 707671688 /nfs/dbraw/zinc/67/16/88/707671688.db2.gz ZDUQWNKLVFTGGH-ZBFHGGJFSA-N 2 2 343.431 1.475 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3)C2)C1 ZINC001033358820 707683717 /nfs/dbraw/zinc/68/37/17/707683717.db2.gz QMTKCBHOJSFKHZ-ZWKOTPCHSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3)C2)C1 ZINC001033358820 707683720 /nfs/dbraw/zinc/68/37/20/707683720.db2.gz QMTKCBHOJSFKHZ-ZWKOTPCHSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cccnc3)C2)C1 ZINC001033358820 707683722 /nfs/dbraw/zinc/68/37/22/707683722.db2.gz QMTKCBHOJSFKHZ-ZWKOTPCHSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccnc3)C2)C1 ZINC001033358820 707683725 /nfs/dbraw/zinc/68/37/25/707683725.db2.gz QMTKCBHOJSFKHZ-ZWKOTPCHSA-N 2 2 346.475 1.224 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033359713 707686634 /nfs/dbraw/zinc/68/66/34/707686634.db2.gz BBASIKMDPVWTIO-QZTJIDSGSA-N 2 2 335.492 1.573 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033359713 707686638 /nfs/dbraw/zinc/68/66/38/707686638.db2.gz BBASIKMDPVWTIO-QZTJIDSGSA-N 2 2 335.492 1.573 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033359713 707686641 /nfs/dbraw/zinc/68/66/41/707686641.db2.gz BBASIKMDPVWTIO-QZTJIDSGSA-N 2 2 335.492 1.573 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033359713 707686647 /nfs/dbraw/zinc/68/66/47/707686647.db2.gz BBASIKMDPVWTIO-QZTJIDSGSA-N 2 2 335.492 1.573 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033398946 707741801 /nfs/dbraw/zinc/74/18/01/707741801.db2.gz ZGCCWLLZRMXLOH-KRWDZBQOSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033398946 707741805 /nfs/dbraw/zinc/74/18/05/707741805.db2.gz ZGCCWLLZRMXLOH-KRWDZBQOSA-N 2 2 333.480 1.278 20 0 EDADLP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004974699 707805752 /nfs/dbraw/zinc/80/57/52/707805752.db2.gz IUPPSQHSYLZKPH-PBHICJAKSA-N 2 2 344.463 1.256 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000921716542 707896021 /nfs/dbraw/zinc/89/60/21/707896021.db2.gz MJRKPAZIKXNNJL-UHFFFAOYSA-N 2 2 333.480 1.640 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001033453129 707897244 /nfs/dbraw/zinc/89/72/44/707897244.db2.gz SNAUHXAWUNZXCR-MRXNPFEDSA-N 2 2 330.407 1.867 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001033453129 707897248 /nfs/dbraw/zinc/89/72/48/707897248.db2.gz SNAUHXAWUNZXCR-MRXNPFEDSA-N 2 2 330.407 1.867 20 0 EDADLP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1)c1ccccc1 ZINC001033453783 707898634 /nfs/dbraw/zinc/89/86/34/707898634.db2.gz ZUNUIQROTSLGCJ-QZTJIDSGSA-N 2 2 342.443 1.873 20 0 EDADLP CO[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1)c1ccccc1 ZINC001033453783 707898635 /nfs/dbraw/zinc/89/86/35/707898635.db2.gz ZUNUIQROTSLGCJ-QZTJIDSGSA-N 2 2 342.443 1.873 20 0 EDADLP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)cn1 ZINC001005008814 707924515 /nfs/dbraw/zinc/92/45/15/707924515.db2.gz JTKPUSLUNDWOFK-YOEHRIQHSA-N 2 2 342.447 1.541 20 0 EDADLP C[C@H]([NH2+]Cc1nccs1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005009781 707927366 /nfs/dbraw/zinc/92/73/66/707927366.db2.gz OHPLMEIZOVRECJ-UONOGXRCSA-N 2 2 333.461 1.899 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncccn1)[NH+](C)C ZINC001049723204 707965905 /nfs/dbraw/zinc/96/59/05/707965905.db2.gz BBWYYENNEBQCTK-HRCADAONSA-N 2 2 331.464 1.382 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2F)C1 ZINC001032781177 707966763 /nfs/dbraw/zinc/96/67/63/707966763.db2.gz LKFJMQOVYVZYFV-PMPSAXMXSA-N 2 2 347.434 1.441 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCOc2ccccc2F)C1 ZINC001032781177 707966765 /nfs/dbraw/zinc/96/67/65/707966765.db2.gz LKFJMQOVYVZYFV-PMPSAXMXSA-N 2 2 347.434 1.441 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCOc2ccccc2F)C1 ZINC001032781177 707966766 /nfs/dbraw/zinc/96/67/66/707966766.db2.gz LKFJMQOVYVZYFV-PMPSAXMXSA-N 2 2 347.434 1.441 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCOc2ccccc2F)C1 ZINC001032781177 707966769 /nfs/dbraw/zinc/96/67/69/707966769.db2.gz LKFJMQOVYVZYFV-PMPSAXMXSA-N 2 2 347.434 1.441 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1F ZINC001032783674 707979063 /nfs/dbraw/zinc/97/90/63/707979063.db2.gz LYHSSHWYUBYSFI-IRXDYDNUSA-N 2 2 331.435 1.749 20 0 EDADLP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1F ZINC001032783674 707979065 /nfs/dbraw/zinc/97/90/65/707979065.db2.gz LYHSSHWYUBYSFI-IRXDYDNUSA-N 2 2 331.435 1.749 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2C)C1 ZINC001032792949 708049816 /nfs/dbraw/zinc/04/98/16/708049816.db2.gz QMVQVEYHWFBACG-GBESFXJTSA-N 2 2 343.471 1.501 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2C)C1 ZINC001032792949 708049818 /nfs/dbraw/zinc/04/98/18/708049818.db2.gz QMVQVEYHWFBACG-GBESFXJTSA-N 2 2 343.471 1.501 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2C)C1 ZINC001032792949 708049820 /nfs/dbraw/zinc/04/98/20/708049820.db2.gz QMVQVEYHWFBACG-GBESFXJTSA-N 2 2 343.471 1.501 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2C)C1 ZINC001032792949 708049822 /nfs/dbraw/zinc/04/98/22/708049822.db2.gz QMVQVEYHWFBACG-GBESFXJTSA-N 2 2 343.471 1.501 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005181972 708127532 /nfs/dbraw/zinc/12/75/32/708127532.db2.gz BUQYXAPZKAYURD-KRWDZBQOSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001005181972 708127533 /nfs/dbraw/zinc/12/75/33/708127533.db2.gz BUQYXAPZKAYURD-KRWDZBQOSA-N 2 2 348.495 1.123 20 0 EDADLP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001032815048 708152413 /nfs/dbraw/zinc/15/24/13/708152413.db2.gz XDFYINONKZPYLN-OKZBNKHCSA-N 2 2 340.427 1.556 20 0 EDADLP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001032815048 708152414 /nfs/dbraw/zinc/15/24/14/708152414.db2.gz XDFYINONKZPYLN-OKZBNKHCSA-N 2 2 340.427 1.556 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001033587027 708278561 /nfs/dbraw/zinc/27/85/61/708278561.db2.gz DFONBFFOJMWMOY-CQSZACIVSA-N 2 2 331.420 1.300 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001033587027 708278563 /nfs/dbraw/zinc/27/85/63/708278563.db2.gz DFONBFFOJMWMOY-CQSZACIVSA-N 2 2 331.420 1.300 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1)C1CCCC1 ZINC001033592567 708291753 /nfs/dbraw/zinc/29/17/53/708291753.db2.gz CAJQDSAQSBAKOD-AEFFLSMTSA-N 2 2 348.491 1.701 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1)C1CCCC1 ZINC001033592567 708291756 /nfs/dbraw/zinc/29/17/56/708291756.db2.gz CAJQDSAQSBAKOD-AEFFLSMTSA-N 2 2 348.491 1.701 20 0 EDADLP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033594552 708296777 /nfs/dbraw/zinc/29/67/77/708296777.db2.gz NODRCDUWQBEQRU-MAUKXSAKSA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC001033594552 708296778 /nfs/dbraw/zinc/29/67/78/708296778.db2.gz NODRCDUWQBEQRU-MAUKXSAKSA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001033594552 708296779 /nfs/dbraw/zinc/29/67/79/708296779.db2.gz NODRCDUWQBEQRU-MAUKXSAKSA-N 2 2 345.491 1.204 20 0 EDADLP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc3n(n2)CCC3)C1 ZINC001033594552 708296780 /nfs/dbraw/zinc/29/67/80/708296780.db2.gz NODRCDUWQBEQRU-MAUKXSAKSA-N 2 2 345.491 1.204 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001033667395 708454535 /nfs/dbraw/zinc/45/45/35/708454535.db2.gz GEOZYYGQGCJANU-UONOGXRCSA-N 2 2 342.390 1.148 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001033667395 708454536 /nfs/dbraw/zinc/45/45/36/708454536.db2.gz GEOZYYGQGCJANU-UONOGXRCSA-N 2 2 342.390 1.148 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnoc2C)C1 ZINC001033684071 708496167 /nfs/dbraw/zinc/49/61/67/708496167.db2.gz CMGVLNPGDKHWMR-IAGOWNOFSA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnoc2C)C1 ZINC001033684071 708496170 /nfs/dbraw/zinc/49/61/70/708496170.db2.gz CMGVLNPGDKHWMR-IAGOWNOFSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001033684071 708496171 /nfs/dbraw/zinc/49/61/71/708496171.db2.gz CMGVLNPGDKHWMR-IAGOWNOFSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001033684071 708496174 /nfs/dbraw/zinc/49/61/74/708496174.db2.gz CMGVLNPGDKHWMR-IAGOWNOFSA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cncc(OC)n2)C1 ZINC001033777848 708706078 /nfs/dbraw/zinc/70/60/78/708706078.db2.gz YGXWEBNNAAVWFD-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cncc(OC)n2)C1 ZINC001033777848 708706081 /nfs/dbraw/zinc/70/60/81/708706081.db2.gz YGXWEBNNAAVWFD-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cncc(OC)n2)C1 ZINC001033777848 708706083 /nfs/dbraw/zinc/70/60/83/708706083.db2.gz YGXWEBNNAAVWFD-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cncc(OC)n2)C1 ZINC001033777848 708706085 /nfs/dbraw/zinc/70/60/85/708706085.db2.gz YGXWEBNNAAVWFD-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000921932707 709057610 /nfs/dbraw/zinc/05/76/10/709057610.db2.gz IEOPESWBINPVDV-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC001034016113 709233239 /nfs/dbraw/zinc/23/32/39/709233239.db2.gz LCXCWPWRTDSWRT-UKRRQHHQSA-N 2 2 347.463 1.458 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+]([C@H](C)c2nc(C)no2)C1 ZINC001034016113 709233243 /nfs/dbraw/zinc/23/32/43/709233243.db2.gz LCXCWPWRTDSWRT-UKRRQHHQSA-N 2 2 347.463 1.458 20 0 EDADLP Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000702213666 709394456 /nfs/dbraw/zinc/39/44/56/709394456.db2.gz FFUWXJARPCYWHO-MRXNPFEDSA-N 2 2 326.448 1.595 20 0 EDADLP Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000702213666 709394457 /nfs/dbraw/zinc/39/44/57/709394457.db2.gz FFUWXJARPCYWHO-MRXNPFEDSA-N 2 2 326.448 1.595 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001002827892 709445290 /nfs/dbraw/zinc/44/52/90/709445290.db2.gz CAFMGEPLNHEVHS-BLLLJJGKSA-N 2 2 347.463 1.361 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001002828948 709446125 /nfs/dbraw/zinc/44/61/25/709446125.db2.gz MYAZZXRJISHWEH-BLLLJJGKSA-N 2 2 347.463 1.361 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002860675 709464221 /nfs/dbraw/zinc/46/42/21/709464221.db2.gz POODUNJJIQFWQB-IJEWVQPXSA-N 2 2 331.464 1.458 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002860675 709464222 /nfs/dbraw/zinc/46/42/22/709464222.db2.gz POODUNJJIQFWQB-IJEWVQPXSA-N 2 2 331.464 1.458 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001002873406 709493862 /nfs/dbraw/zinc/49/38/62/709493862.db2.gz CDQLQEAPJTUCLM-CQSZACIVSA-N 2 2 334.464 1.377 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cscn3)C2)CC[N@@H+]1C ZINC001034219337 709576344 /nfs/dbraw/zinc/57/63/44/709576344.db2.gz MOSGZNXGLFEWKO-IIAWOOMASA-N 2 2 336.505 1.954 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cscn3)C2)CC[N@H+]1C ZINC001034219337 709576348 /nfs/dbraw/zinc/57/63/48/709576348.db2.gz MOSGZNXGLFEWKO-IIAWOOMASA-N 2 2 336.505 1.954 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cscn3)C2)CC[NH+]1C ZINC001034219337 709576351 /nfs/dbraw/zinc/57/63/51/709576351.db2.gz MOSGZNXGLFEWKO-IIAWOOMASA-N 2 2 336.505 1.954 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cscn3)C2)CC[NH+]1C ZINC001034219337 709576354 /nfs/dbraw/zinc/57/63/54/709576354.db2.gz MOSGZNXGLFEWKO-IIAWOOMASA-N 2 2 336.505 1.954 20 0 EDADLP CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034271200 709677294 /nfs/dbraw/zinc/67/72/94/709677294.db2.gz MIZAPNJEJKBKPH-RDJZCZTQSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034271200 709677299 /nfs/dbraw/zinc/67/72/99/709677299.db2.gz MIZAPNJEJKBKPH-RDJZCZTQSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001034271200 709677304 /nfs/dbraw/zinc/67/73/04/709677304.db2.gz MIZAPNJEJKBKPH-RDJZCZTQSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001034271200 709677309 /nfs/dbraw/zinc/67/73/09/709677309.db2.gz MIZAPNJEJKBKPH-RDJZCZTQSA-N 2 2 348.495 1.253 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034400965 709944846 /nfs/dbraw/zinc/94/48/46/709944846.db2.gz YYXTXGODWVKIBM-CVEARBPZSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034400965 709944849 /nfs/dbraw/zinc/94/48/49/709944849.db2.gz YYXTXGODWVKIBM-CVEARBPZSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034400965 709944852 /nfs/dbraw/zinc/94/48/52/709944852.db2.gz YYXTXGODWVKIBM-CVEARBPZSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034400965 709944853 /nfs/dbraw/zinc/94/48/53/709944853.db2.gz YYXTXGODWVKIBM-CVEARBPZSA-N 2 2 333.480 1.375 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001003191909 710090165 /nfs/dbraw/zinc/09/01/65/710090165.db2.gz AEGVQRKVPOFOTI-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NC1CC[NH+](CCOC2CCC2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001003180791 710096914 /nfs/dbraw/zinc/09/69/14/710096914.db2.gz VTTRSAXLZIZFNN-HNNXBMFYSA-N 2 2 346.475 1.595 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001034546747 710220337 /nfs/dbraw/zinc/22/03/37/710220337.db2.gz JQUFYCCRLKBOKZ-IRXDYDNUSA-N 2 2 334.464 1.671 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001034546747 710220338 /nfs/dbraw/zinc/22/03/38/710220338.db2.gz JQUFYCCRLKBOKZ-IRXDYDNUSA-N 2 2 334.464 1.671 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)ncn1 ZINC001034546558 710220414 /nfs/dbraw/zinc/22/04/14/710220414.db2.gz HSQNJOPJCHAFPR-HNNXBMFYSA-N 2 2 328.420 1.152 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)ncn1 ZINC001034546558 710220415 /nfs/dbraw/zinc/22/04/15/710220415.db2.gz HSQNJOPJCHAFPR-HNNXBMFYSA-N 2 2 328.420 1.152 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CCF)CC2)[nH]n1 ZINC001034649796 710326394 /nfs/dbraw/zinc/32/63/94/710326394.db2.gz URKKBZMMUVVIQP-XJKCOSOUSA-N 2 2 337.443 1.777 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CCF)CC2)[nH]n1 ZINC001034649796 710326397 /nfs/dbraw/zinc/32/63/97/710326397.db2.gz URKKBZMMUVVIQP-XJKCOSOUSA-N 2 2 337.443 1.777 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC001003632400 710460907 /nfs/dbraw/zinc/46/09/07/710460907.db2.gz ZMTJBUXCSXFCGG-ZDUSSCGKSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC001003632400 710460908 /nfs/dbraw/zinc/46/09/08/710460908.db2.gz ZMTJBUXCSXFCGG-ZDUSSCGKSA-N 2 2 349.479 1.752 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003632322 710461075 /nfs/dbraw/zinc/46/10/75/710461075.db2.gz ZCFKQLYHOURQRO-ZBFHGGJFSA-N 2 2 333.480 1.181 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003632322 710461076 /nfs/dbraw/zinc/46/10/76/710461076.db2.gz ZCFKQLYHOURQRO-ZBFHGGJFSA-N 2 2 333.480 1.181 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001003776151 710545024 /nfs/dbraw/zinc/54/50/24/710545024.db2.gz JBUMYFWWDNHBDE-DLBZAZTESA-N 2 2 332.448 1.772 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001003776151 710545025 /nfs/dbraw/zinc/54/50/25/710545025.db2.gz JBUMYFWWDNHBDE-DLBZAZTESA-N 2 2 332.448 1.772 20 0 EDADLP CCc1cc(N2CC[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061773615 710659836 /nfs/dbraw/zinc/65/98/36/710659836.db2.gz HQVXIQKFIKUWGH-DOTOQJQBSA-N 2 2 345.491 1.774 20 0 EDADLP CCc1cc(N2CC[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061773615 710659840 /nfs/dbraw/zinc/65/98/40/710659840.db2.gz HQVXIQKFIKUWGH-DOTOQJQBSA-N 2 2 345.491 1.774 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001034731306 710929080 /nfs/dbraw/zinc/92/90/80/710929080.db2.gz LZKIRDAWPZYSHN-KLHDSHLOSA-N 2 2 346.475 1.883 20 0 EDADLP CCn1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001034744036 710946586 /nfs/dbraw/zinc/94/65/86/710946586.db2.gz IPKYUJXIAYDXTL-HDJSIYSDSA-N 2 2 345.451 1.089 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC001034744138 710946734 /nfs/dbraw/zinc/94/67/34/710946734.db2.gz MFSJTKXIOLTAGP-BQFCYCMXSA-N 2 2 348.491 1.910 20 0 EDADLP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034764774 711041491 /nfs/dbraw/zinc/04/14/91/711041491.db2.gz XVITWMRRQKSHNV-HDJSIYSDSA-N 2 2 331.420 1.720 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC001034764960 711041563 /nfs/dbraw/zinc/04/15/63/711041563.db2.gz ZNUPGPRZWXNJMG-ATNYBXOESA-N 2 2 332.448 1.396 20 0 EDADLP Cc1cccnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001034775520 711049090 /nfs/dbraw/zinc/04/90/90/711049090.db2.gz BUPAQLGDLTWGJT-WKILWMFISA-N 2 2 341.459 1.883 20 0 EDADLP Cc1ncsc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001034776074 711051017 /nfs/dbraw/zinc/05/10/17/711051017.db2.gz PAAQUBMQHRIIOP-HDJSIYSDSA-N 2 2 347.488 1.945 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC001003973920 711131108 /nfs/dbraw/zinc/13/11/08/711131108.db2.gz CGFZYJYNQKIMOS-UHFFFAOYSA-N 2 2 334.489 1.628 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc(C)[nH+]1 ZINC001061364207 711141413 /nfs/dbraw/zinc/14/14/13/711141413.db2.gz FBYARIQULGUATC-GJZGRUSLSA-N 2 2 331.464 1.384 20 0 EDADLP CCc1nc(N2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC001061364207 711141418 /nfs/dbraw/zinc/14/14/18/711141418.db2.gz FBYARIQULGUATC-GJZGRUSLSA-N 2 2 331.464 1.384 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001034801978 711143240 /nfs/dbraw/zinc/14/32/40/711143240.db2.gz RWQDIEVZGNEYAV-UBHSHLNASA-N 2 2 332.408 1.353 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034823987 711226244 /nfs/dbraw/zinc/22/62/44/711226244.db2.gz JTRIHHQDIZBNLB-SUMWQHHRSA-N 2 2 343.431 1.173 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034823987 711226247 /nfs/dbraw/zinc/22/62/47/711226247.db2.gz JTRIHHQDIZBNLB-SUMWQHHRSA-N 2 2 343.431 1.173 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]Cc3ncccn3)cc2)C1 ZINC001034830991 711236559 /nfs/dbraw/zinc/23/65/59/711236559.db2.gz GNANUSFUHYUKKX-KRWDZBQOSA-N 2 2 339.443 1.334 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]Cc3ncccn3)cc2)C1 ZINC001034830991 711236562 /nfs/dbraw/zinc/23/65/62/711236562.db2.gz GNANUSFUHYUKKX-KRWDZBQOSA-N 2 2 339.443 1.334 20 0 EDADLP Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001034891389 711347644 /nfs/dbraw/zinc/34/76/44/711347644.db2.gz SGGXTIIDRVUTEK-RTBURBONSA-N 2 2 345.487 1.715 20 0 EDADLP Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001034891389 711347648 /nfs/dbraw/zinc/34/76/48/711347648.db2.gz SGGXTIIDRVUTEK-RTBURBONSA-N 2 2 345.487 1.715 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1cscn1 ZINC001034958531 711432313 /nfs/dbraw/zinc/43/23/13/711432313.db2.gz KFMGOHIZCZABPV-CABCVRRESA-N 2 2 345.472 1.998 20 0 EDADLP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC001004149747 711564339 /nfs/dbraw/zinc/56/43/39/711564339.db2.gz LKHOURNOJLNTRW-UHFFFAOYSA-N 2 2 331.464 1.006 20 0 EDADLP CC(C)c1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001004149804 711564608 /nfs/dbraw/zinc/56/46/08/711564608.db2.gz NUVQDNIAAIQADM-CQSZACIVSA-N 2 2 334.464 1.830 20 0 EDADLP CC(C)c1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001004149804 711564611 /nfs/dbraw/zinc/56/46/11/711564611.db2.gz NUVQDNIAAIQADM-CQSZACIVSA-N 2 2 334.464 1.830 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004474456 711851092 /nfs/dbraw/zinc/85/10/92/711851092.db2.gz ONYFAUFNRQTBAG-IRXDYDNUSA-N 2 2 346.475 1.141 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004474456 711851094 /nfs/dbraw/zinc/85/10/94/711851094.db2.gz ONYFAUFNRQTBAG-IRXDYDNUSA-N 2 2 346.475 1.141 20 0 EDADLP CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1)OC ZINC000946617302 711869370 /nfs/dbraw/zinc/86/93/70/711869370.db2.gz AZUJVWVGKGYBTL-SOLBZPMBSA-N 2 2 348.491 1.938 20 0 EDADLP CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]2C1)OC ZINC000946617302 711869373 /nfs/dbraw/zinc/86/93/73/711869373.db2.gz AZUJVWVGKGYBTL-SOLBZPMBSA-N 2 2 348.491 1.938 20 0 EDADLP CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1)OC ZINC000946617302 711869376 /nfs/dbraw/zinc/86/93/76/711869376.db2.gz AZUJVWVGKGYBTL-SOLBZPMBSA-N 2 2 348.491 1.938 20 0 EDADLP CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]2C1)OC ZINC000946617302 711869378 /nfs/dbraw/zinc/86/93/78/711869378.db2.gz AZUJVWVGKGYBTL-SOLBZPMBSA-N 2 2 348.491 1.938 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001033125642 711876402 /nfs/dbraw/zinc/87/64/02/711876402.db2.gz GKPMAHQIMMCBEK-DOTOQJQBSA-N 2 2 348.495 1.205 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001033125642 711876404 /nfs/dbraw/zinc/87/64/04/711876404.db2.gz GKPMAHQIMMCBEK-DOTOQJQBSA-N 2 2 348.495 1.205 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033125642 711876405 /nfs/dbraw/zinc/87/64/05/711876405.db2.gz GKPMAHQIMMCBEK-DOTOQJQBSA-N 2 2 348.495 1.205 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033125642 711876406 /nfs/dbraw/zinc/87/64/06/711876406.db2.gz GKPMAHQIMMCBEK-DOTOQJQBSA-N 2 2 348.495 1.205 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2nccn2C)C1 ZINC001033149028 712097434 /nfs/dbraw/zinc/09/74/34/712097434.db2.gz GBWVDMARSUJMMK-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2nccn2C)C1 ZINC001033149028 712097436 /nfs/dbraw/zinc/09/74/36/712097436.db2.gz GBWVDMARSUJMMK-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033149028 712097439 /nfs/dbraw/zinc/09/74/39/712097439.db2.gz GBWVDMARSUJMMK-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033149028 712097442 /nfs/dbraw/zinc/09/74/42/712097442.db2.gz GBWVDMARSUJMMK-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645304 712134564 /nfs/dbraw/zinc/13/45/64/712134564.db2.gz QUGZGZAQFHHACU-YESZJQIVSA-N 2 2 346.475 1.262 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645304 712134565 /nfs/dbraw/zinc/13/45/65/712134565.db2.gz QUGZGZAQFHHACU-YESZJQIVSA-N 2 2 346.475 1.262 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946649164 712175196 /nfs/dbraw/zinc/17/51/96/712175196.db2.gz OLNKSHSGWFETIO-ZACQAIPSSA-N 2 2 348.466 1.976 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1 ZINC000946649164 712175198 /nfs/dbraw/zinc/17/51/98/712175198.db2.gz OLNKSHSGWFETIO-ZACQAIPSSA-N 2 2 348.466 1.976 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675551 712359647 /nfs/dbraw/zinc/35/96/47/712359647.db2.gz WGAARCOFWJRGFL-OAGGEKHMSA-N 2 2 342.443 1.499 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946675551 712359648 /nfs/dbraw/zinc/35/96/48/712359648.db2.gz WGAARCOFWJRGFL-OAGGEKHMSA-N 2 2 342.443 1.499 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000050247794 214052287 /nfs/dbraw/zinc/05/22/87/214052287.db2.gz LVXHSWRVRQPDSK-NSHDSACASA-N 2 2 326.238 1.977 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1Br ZINC000050247794 214052291 /nfs/dbraw/zinc/05/22/91/214052291.db2.gz LVXHSWRVRQPDSK-NSHDSACASA-N 2 2 326.238 1.977 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1c[nH+]cn1C ZINC000125724488 222600630 /nfs/dbraw/zinc/60/06/30/222600630.db2.gz ZOBHUVCNYNRCQU-UHFFFAOYSA-N 2 2 343.431 1.428 20 0 EDADLP C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000247145226 299071354 /nfs/dbraw/zinc/07/13/54/299071354.db2.gz IANUPECACQYXOW-JYJNAYRXSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000247145226 299071357 /nfs/dbraw/zinc/07/13/57/299071357.db2.gz IANUPECACQYXOW-JYJNAYRXSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](CNC(=O)c1ccccc1C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000558687032 306244098 /nfs/dbraw/zinc/24/40/98/306244098.db2.gz SJMOGYIIKNEINK-INIZCTEOSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000246043357 299097423 /nfs/dbraw/zinc/09/74/23/299097423.db2.gz XIEPSBPZLHJHOI-NXOAAHMSSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000246043357 299097425 /nfs/dbraw/zinc/09/74/25/299097425.db2.gz XIEPSBPZLHJHOI-NXOAAHMSSA-N 2 2 338.496 1.221 20 0 EDADLP CN(C)c1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000152755816 529792296 /nfs/dbraw/zinc/79/22/96/529792296.db2.gz IVQKAOLVHAIQMM-UHFFFAOYSA-N 2 2 348.495 1.637 20 0 EDADLP CN(C)c1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000152755816 529792297 /nfs/dbraw/zinc/79/22/97/529792297.db2.gz IVQKAOLVHAIQMM-UHFFFAOYSA-N 2 2 348.495 1.637 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000559636994 306257150 /nfs/dbraw/zinc/25/71/50/306257150.db2.gz SPKJQKMZDQVOFU-NVXWUHKLSA-N 2 2 345.443 1.796 20 0 EDADLP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000559636994 306257151 /nfs/dbraw/zinc/25/71/51/306257151.db2.gz SPKJQKMZDQVOFU-NVXWUHKLSA-N 2 2 345.443 1.796 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000168161186 529962330 /nfs/dbraw/zinc/96/23/30/529962330.db2.gz ZIMBPXYWHGNQES-HUUCEWRRSA-N 2 2 337.489 1.579 20 0 EDADLP CN(C)C(=O)C(C)(C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000560462966 306269773 /nfs/dbraw/zinc/26/97/73/306269773.db2.gz NIJWTWBGPSHLFX-UHFFFAOYSA-N 2 2 332.492 1.655 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000433245185 539557197 /nfs/dbraw/zinc/55/71/97/539557197.db2.gz KRNVJLZLXNZJKE-OFQRWUPVSA-N 2 2 337.468 1.670 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000332818834 539605280 /nfs/dbraw/zinc/60/52/80/539605280.db2.gz ADHXWDDCPIXJEE-HOTGVXAUSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000332818834 539605283 /nfs/dbraw/zinc/60/52/83/539605283.db2.gz ADHXWDDCPIXJEE-HOTGVXAUSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC000332818834 539605287 /nfs/dbraw/zinc/60/52/87/539605287.db2.gz ADHXWDDCPIXJEE-HOTGVXAUSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000332818834 539605289 /nfs/dbraw/zinc/60/52/89/539605289.db2.gz ADHXWDDCPIXJEE-HOTGVXAUSA-N 2 2 339.528 1.042 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000103143108 219262252 /nfs/dbraw/zinc/26/22/52/219262252.db2.gz YVOHDGONMNPXKL-UHFFFAOYSA-N 2 2 341.463 1.380 20 0 EDADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000103143108 219262254 /nfs/dbraw/zinc/26/22/54/219262254.db2.gz YVOHDGONMNPXKL-UHFFFAOYSA-N 2 2 341.463 1.380 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[nH+]c1 ZINC000151180495 539745484 /nfs/dbraw/zinc/74/54/84/539745484.db2.gz YGMMCPNMHAZMDJ-CABCVRRESA-N 2 2 335.452 1.210 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[nH+]c1 ZINC000151180495 539745489 /nfs/dbraw/zinc/74/54/89/539745489.db2.gz YGMMCPNMHAZMDJ-CABCVRRESA-N 2 2 335.452 1.210 20 0 EDADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000562331744 306295771 /nfs/dbraw/zinc/29/57/71/306295771.db2.gz RNFRQJWOHKJCDR-ZKNMIIFVSA-N 2 2 331.464 1.438 20 0 EDADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000562331744 306295772 /nfs/dbraw/zinc/29/57/72/306295772.db2.gz RNFRQJWOHKJCDR-ZKNMIIFVSA-N 2 2 331.464 1.438 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152453252 539813342 /nfs/dbraw/zinc/81/33/42/539813342.db2.gz AIHFLAUSDIGRAR-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152453252 539813346 /nfs/dbraw/zinc/81/33/46/539813346.db2.gz AIHFLAUSDIGRAR-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCCn4cc[nH+]c43)CC2)CC1 ZINC000176268783 282945890 /nfs/dbraw/zinc/94/58/90/282945890.db2.gz BYCAGSLHTGGPIM-KRWDZBQOSA-N 2 2 345.491 1.247 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000563352323 306329112 /nfs/dbraw/zinc/32/91/12/306329112.db2.gz IOKUPSLIWQRUFL-IEBWSBKVSA-N 2 2 334.460 1.447 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000563352323 306329113 /nfs/dbraw/zinc/32/91/13/306329113.db2.gz IOKUPSLIWQRUFL-IEBWSBKVSA-N 2 2 334.460 1.447 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000563352323 306329114 /nfs/dbraw/zinc/32/91/14/306329114.db2.gz IOKUPSLIWQRUFL-IEBWSBKVSA-N 2 2 334.460 1.447 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000563352323 306329115 /nfs/dbraw/zinc/32/91/15/306329115.db2.gz IOKUPSLIWQRUFL-IEBWSBKVSA-N 2 2 334.460 1.447 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000105922757 540191151 /nfs/dbraw/zinc/19/11/51/540191151.db2.gz XZQSOSDMNYDSCS-KRWDZBQOSA-N 3 2 347.507 1.683 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000105922757 540191153 /nfs/dbraw/zinc/19/11/53/540191153.db2.gz XZQSOSDMNYDSCS-KRWDZBQOSA-N 3 2 347.507 1.683 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563357079 306329837 /nfs/dbraw/zinc/32/98/37/306329837.db2.gz ZUALHPBYSWWANE-INIZCTEOSA-N 2 2 342.443 1.577 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563357079 306329838 /nfs/dbraw/zinc/32/98/38/306329838.db2.gz ZUALHPBYSWWANE-INIZCTEOSA-N 2 2 342.443 1.577 20 0 EDADLP CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000563453469 306334256 /nfs/dbraw/zinc/33/42/56/306334256.db2.gz GXCIKWHVFFKYTN-HNNXBMFYSA-N 2 2 341.415 1.899 20 0 EDADLP CC(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n(C)c1 ZINC000058971530 138162188 /nfs/dbraw/zinc/16/21/88/138162188.db2.gz DAKWULUMLLFZDX-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP CC(=O)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n(C)c1 ZINC000058971530 138162189 /nfs/dbraw/zinc/16/21/89/138162189.db2.gz DAKWULUMLLFZDX-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCCOC2)([NH+]2CCCCC2)CC1 ZINC000074131902 138226195 /nfs/dbraw/zinc/22/61/95/138226195.db2.gz KONBMRDXRQSTRF-INIZCTEOSA-N 2 2 338.496 1.415 20 0 EDADLP CC1CC[NH+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000073659321 138220329 /nfs/dbraw/zinc/22/03/29/138220329.db2.gz KCOBNLPKTLMWMX-KRWDZBQOSA-N 2 2 338.496 1.225 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)N3CC[NH+](C4CC4)CC3)CC2)[nH+]c1 ZINC000074435415 138233889 /nfs/dbraw/zinc/23/38/89/138233889.db2.gz RZDKABFGUSFDFY-UHFFFAOYSA-N 2 2 343.475 1.848 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000085422724 138270681 /nfs/dbraw/zinc/27/06/81/138270681.db2.gz LNGDIIKPVQNZAZ-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)C[NH+]1CCCC1 ZINC000080050603 138263368 /nfs/dbraw/zinc/26/33/68/138263368.db2.gz ICXCWGJBBQRQNW-QGZVFWFLSA-N 2 2 345.491 1.641 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000563568366 306339296 /nfs/dbraw/zinc/33/92/96/306339296.db2.gz IMUANPLXDSYMFQ-SFHVURJKSA-N 2 2 348.491 1.229 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(C)C3CCCCC3)C2)CC1 ZINC000107371985 138304148 /nfs/dbraw/zinc/30/41/48/138304148.db2.gz ROUPXIWGHWASBQ-SFHVURJKSA-N 2 2 336.524 1.489 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(C)C3CCCCC3)C2)CC1 ZINC000107371985 138304149 /nfs/dbraw/zinc/30/41/49/138304149.db2.gz ROUPXIWGHWASBQ-SFHVURJKSA-N 2 2 336.524 1.489 20 0 EDADLP COCC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000124132484 138324088 /nfs/dbraw/zinc/32/40/88/138324088.db2.gz ZRNVPEYWTXITQF-PMRDEQMMSA-N 2 2 338.496 1.364 20 0 EDADLP COCC[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000124132484 138324089 /nfs/dbraw/zinc/32/40/89/138324089.db2.gz ZRNVPEYWTXITQF-PMRDEQMMSA-N 2 2 338.496 1.364 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000342783656 283246958 /nfs/dbraw/zinc/24/69/58/283246958.db2.gz OYYIOVXZOKVKJZ-QGZVFWFLSA-N 2 2 335.496 1.747 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nnnn3C(C)(C)C)CC2)CC1 ZINC000563854138 306349871 /nfs/dbraw/zinc/34/98/71/306349871.db2.gz MZFBTVKMVWVFJI-UHFFFAOYSA-N 2 2 349.527 1.420 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nnnn3C(C)(C)C)CC2)CC1 ZINC000563854138 306349872 /nfs/dbraw/zinc/34/98/72/306349872.db2.gz MZFBTVKMVWVFJI-UHFFFAOYSA-N 2 2 349.527 1.420 20 0 EDADLP Cc1nccnc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000187855978 236318727 /nfs/dbraw/zinc/31/87/27/236318727.db2.gz NYFNHYWZUYFPNW-HNNXBMFYSA-N 2 2 326.448 1.783 20 0 EDADLP C[C@@H](CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CCC[NH2+]C1 ZINC000178722669 138744938 /nfs/dbraw/zinc/74/49/38/138744938.db2.gz LLWFVKOMJCJKEJ-GOEBONIOSA-N 2 2 327.432 1.909 20 0 EDADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000564979830 306371756 /nfs/dbraw/zinc/37/17/56/306371756.db2.gz XOEYSKMHEIHJLQ-IAGOWNOFSA-N 2 2 338.492 1.544 20 0 EDADLP [NH3+]C1CCC(OCC(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000565030211 306373176 /nfs/dbraw/zinc/37/31/76/306373176.db2.gz LTRPNRAXWKCIMJ-UHFFFAOYSA-N 2 2 347.459 1.744 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417605861 283540777 /nfs/dbraw/zinc/54/07/77/283540777.db2.gz ZBWHNIUUCHBKKQ-AEFFLSMTSA-N 2 2 348.491 1.085 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000565353145 306382174 /nfs/dbraw/zinc/38/21/74/306382174.db2.gz CINRVFHPVLOMMG-SJLPKXTDSA-N 2 2 346.475 1.391 20 0 EDADLP CN1CC[NH+]([C@H](CNC(=O)C[NH2+]CC2CC2)c2cccs2)CC1 ZINC000565418410 306383449 /nfs/dbraw/zinc/38/34/49/306383449.db2.gz LKAUAVNRHCQFFT-OAHLLOKOSA-N 2 2 336.505 1.152 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000131460571 223234818 /nfs/dbraw/zinc/23/48/18/223234818.db2.gz OZWOKGQIOJMDKV-VHSXEESVSA-N 2 2 327.226 1.452 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000131460571 223234819 /nfs/dbraw/zinc/23/48/19/223234819.db2.gz OZWOKGQIOJMDKV-VHSXEESVSA-N 2 2 327.226 1.452 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565635012 306388053 /nfs/dbraw/zinc/38/80/53/306388053.db2.gz WZMZUSVKZXYIAM-FPCVCCKLSA-N 2 2 333.480 1.861 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CCCO1 ZINC000565705356 306389090 /nfs/dbraw/zinc/38/90/90/306389090.db2.gz NLUVQCUHQWXJQO-MRXNPFEDSA-N 2 2 329.404 1.132 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)n1C ZINC000414339167 304108267 /nfs/dbraw/zinc/10/82/67/304108267.db2.gz FYQXCGJHJPSZMX-UHFFFAOYSA-N 2 2 333.480 1.757 20 0 EDADLP C[C@H](CO)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000132070130 223296859 /nfs/dbraw/zinc/29/68/59/223296859.db2.gz GHPUAPISCDCEGE-CQSZACIVSA-N 2 2 337.489 1.487 20 0 EDADLP C[C@H](CO)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000132070130 223296862 /nfs/dbraw/zinc/29/68/62/223296862.db2.gz GHPUAPISCDCEGE-CQSZACIVSA-N 2 2 337.489 1.487 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414352540 304110465 /nfs/dbraw/zinc/11/04/65/304110465.db2.gz XCAARRLCLMFWDM-AAEUAGOBSA-N 2 2 328.254 1.683 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414352540 304110469 /nfs/dbraw/zinc/11/04/69/304110469.db2.gz XCAARRLCLMFWDM-AAEUAGOBSA-N 2 2 328.254 1.683 20 0 EDADLP CCC[NH+]1CCC([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC000565832950 306392836 /nfs/dbraw/zinc/39/28/36/306392836.db2.gz FLBDABHMRUDPOU-OAHLLOKOSA-N 2 2 338.473 1.685 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C(F)(F)F ZINC000344649081 296064825 /nfs/dbraw/zinc/06/48/25/296064825.db2.gz DZYCRPZSKAUWNG-NWDGAFQWSA-N 2 2 336.402 1.747 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C(F)(F)F ZINC000344649081 296064828 /nfs/dbraw/zinc/06/48/28/296064828.db2.gz DZYCRPZSKAUWNG-NWDGAFQWSA-N 2 2 336.402 1.747 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)C[C@@H](C)O1 ZINC000566132716 306399598 /nfs/dbraw/zinc/39/95/98/306399598.db2.gz ZRHFALDOEKOWNA-TWPTVVAISA-N 2 2 326.481 1.251 20 0 EDADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000414742681 304135535 /nfs/dbraw/zinc/13/55/35/304135535.db2.gz TVVPYOSDTNYTFI-CQSZACIVSA-N 2 2 349.504 1.247 20 0 EDADLP C[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@H](O)C[NH3+] ZINC000415071703 304157146 /nfs/dbraw/zinc/15/71/46/304157146.db2.gz UILCFNOUKVLKMG-OAHLLOKOSA-N 2 2 342.365 1.702 20 0 EDADLP C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@H](O)C[NH3+] ZINC000415071703 304157149 /nfs/dbraw/zinc/15/71/49/304157149.db2.gz UILCFNOUKVLKMG-OAHLLOKOSA-N 2 2 342.365 1.702 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000195149365 139008013 /nfs/dbraw/zinc/00/80/13/139008013.db2.gz HJHBSKYETKSUFK-IIAWOOMASA-N 2 2 332.448 1.311 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCOCC1 ZINC000236679583 139028579 /nfs/dbraw/zinc/02/85/79/139028579.db2.gz CQDCMWOCOPDYHG-RBUKOAKNSA-N 2 2 345.487 1.564 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)nc(C(C)C)[nH+]1 ZINC000236885644 139034034 /nfs/dbraw/zinc/03/40/34/139034034.db2.gz JGAVEBMECVNDKJ-GJZGRUSLSA-N 2 2 331.464 1.684 20 0 EDADLP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CSC[NH2+]3)c(C)c2)CC1 ZINC000237010451 139038001 /nfs/dbraw/zinc/03/80/01/139038001.db2.gz RWDHPKSYTBNIRL-MRXNPFEDSA-N 2 2 334.489 1.738 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000237159301 139042567 /nfs/dbraw/zinc/04/25/67/139042567.db2.gz KZHWLKSXODWMTN-GOSISDBHSA-N 3 2 344.503 1.753 20 0 EDADLP CN1CCC(CNC(=O)[C@H]([NH3+])c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000237159301 139042568 /nfs/dbraw/zinc/04/25/68/139042568.db2.gz KZHWLKSXODWMTN-GOSISDBHSA-N 2 2 344.503 1.753 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)cc(OC)c1 ZINC000237302838 139047118 /nfs/dbraw/zinc/04/71/18/139047118.db2.gz KKWJOFJKQBPLCV-QGZVFWFLSA-N 2 2 333.432 1.100 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(NC(N)=O)CC3)c2cc1C ZINC000079467207 217229575 /nfs/dbraw/zinc/22/95/75/217229575.db2.gz IBSLUEKDWOGAOR-OAHLLOKOSA-N 2 2 345.447 1.147 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@@H](C)O1 ZINC000237394456 139050005 /nfs/dbraw/zinc/05/00/05/139050005.db2.gz QLEMUQDNROMUTH-IIDMSEBBSA-N 2 2 345.487 1.705 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000111231129 220117813 /nfs/dbraw/zinc/11/78/13/220117813.db2.gz OCVOJWGTJFOEFN-UUOWRZLLSA-N 2 2 349.544 1.896 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000111231129 220117815 /nfs/dbraw/zinc/11/78/15/220117815.db2.gz OCVOJWGTJFOEFN-UUOWRZLLSA-N 2 2 349.544 1.896 20 0 EDADLP C[C@H]1CCC[C@@](CNC(=O)NCC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000080322376 217297414 /nfs/dbraw/zinc/29/74/14/217297414.db2.gz FEGQROZQVPVNDX-DOTOQJQBSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H](NC(=O)c1csc(C[NH3+])n1)C1([NH+]2CCOCC2)CCCC1 ZINC000237590456 139055048 /nfs/dbraw/zinc/05/50/48/139055048.db2.gz BAKJRDLXPNPDLQ-GFCCVEGCSA-N 2 2 338.477 1.365 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)c3csc(C[NH3+])n3)CC2)[nH+]1 ZINC000237714342 139058336 /nfs/dbraw/zinc/05/83/36/139058336.db2.gz OTEFEJZIGVRKOR-UHFFFAOYSA-N 2 2 331.445 1.704 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237898225 139063106 /nfs/dbraw/zinc/06/31/06/139063106.db2.gz DCBMVQKTHGFYQC-RCCFBDPRSA-N 2 2 331.460 1.521 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237898225 139063107 /nfs/dbraw/zinc/06/31/07/139063107.db2.gz DCBMVQKTHGFYQC-RCCFBDPRSA-N 2 2 331.460 1.521 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3cccc(C)c3)C2)CC1 ZINC000111690985 220180665 /nfs/dbraw/zinc/18/06/65/220180665.db2.gz KTUDPYOGJVYIAP-IBGZPJMESA-N 2 2 344.503 1.323 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3cccc(C)c3)C2)CC1 ZINC000111690985 220180668 /nfs/dbraw/zinc/18/06/68/220180668.db2.gz KTUDPYOGJVYIAP-IBGZPJMESA-N 2 2 344.503 1.323 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245627538 139081406 /nfs/dbraw/zinc/08/14/06/139081406.db2.gz PEWNGLQARYUMEY-PMPSAXMXSA-N 2 2 342.447 1.695 20 0 EDADLP C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245627538 139081407 /nfs/dbraw/zinc/08/14/07/139081407.db2.gz PEWNGLQARYUMEY-PMPSAXMXSA-N 2 2 342.447 1.695 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000112074962 220239945 /nfs/dbraw/zinc/23/99/45/220239945.db2.gz XSNMMSJOLSLPSP-HOTGVXAUSA-N 2 2 331.464 1.502 20 0 EDADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246382676 139106313 /nfs/dbraw/zinc/10/63/13/139106313.db2.gz KEJRWJRGMRXCHN-SYNHAJSKSA-N 2 2 343.471 1.443 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246519002 139111549 /nfs/dbraw/zinc/11/15/49/139111549.db2.gz DFZRJZNECOZACK-IRXDYDNUSA-N 2 2 349.479 1.414 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246519002 139111550 /nfs/dbraw/zinc/11/15/50/139111550.db2.gz DFZRJZNECOZACK-IRXDYDNUSA-N 2 2 349.479 1.414 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246567251 139113058 /nfs/dbraw/zinc/11/30/58/139113058.db2.gz GDQPLWPZJCRYMP-ROUUACIJSA-N 2 2 337.508 1.822 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246567251 139113059 /nfs/dbraw/zinc/11/30/59/139113059.db2.gz GDQPLWPZJCRYMP-ROUUACIJSA-N 2 2 337.508 1.822 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cn1 ZINC000246595693 139114268 /nfs/dbraw/zinc/11/42/68/139114268.db2.gz FZCDDICSWUWMMG-DOTOQJQBSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cn1 ZINC000246595693 139114269 /nfs/dbraw/zinc/11/42/69/139114269.db2.gz FZCDDICSWUWMMG-DOTOQJQBSA-N 2 2 331.464 1.333 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246911696 139126700 /nfs/dbraw/zinc/12/67/00/139126700.db2.gz GHDFRVWBFKIZPS-BHIYHBOVSA-N 2 2 335.492 1.915 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246911696 139126701 /nfs/dbraw/zinc/12/67/01/139126701.db2.gz GHDFRVWBFKIZPS-BHIYHBOVSA-N 2 2 335.492 1.915 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000093016957 218186831 /nfs/dbraw/zinc/18/68/31/218186831.db2.gz XDTXMKXOXZHQHX-HNNXBMFYSA-N 2 2 348.443 1.968 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000093016957 218186835 /nfs/dbraw/zinc/18/68/35/218186835.db2.gz XDTXMKXOXZHQHX-HNNXBMFYSA-N 2 2 348.443 1.968 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@@H](C)C1 ZINC000249459097 139193542 /nfs/dbraw/zinc/19/35/42/139193542.db2.gz QIDRUGHYDIYBHH-JYJNAYRXSA-N 2 2 349.479 1.530 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ncccn2)[C@@H](C)C1 ZINC000249459097 139193543 /nfs/dbraw/zinc/19/35/43/139193543.db2.gz QIDRUGHYDIYBHH-JYJNAYRXSA-N 2 2 349.479 1.530 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415417674 304218733 /nfs/dbraw/zinc/21/87/33/304218733.db2.gz WHAACSNRQLNCOU-LLVKDONJSA-N 2 2 343.431 1.361 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249820546 139199045 /nfs/dbraw/zinc/19/90/45/139199045.db2.gz FVWWLEHHILFEQH-ZACQAIPSSA-N 2 2 344.459 1.455 20 0 EDADLP F[C@@H]1C[NH2+][C@@H](c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)C1 ZINC000261782997 139225533 /nfs/dbraw/zinc/22/55/33/139225533.db2.gz QEYWTLTVCQDLMH-LSDHHAIUSA-N 2 2 332.379 1.941 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000261884270 139233961 /nfs/dbraw/zinc/23/39/61/139233961.db2.gz UMZPGTCDAVIVJD-FUHWJXTLSA-N 2 2 330.476 1.890 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262001342 139243073 /nfs/dbraw/zinc/24/30/73/139243073.db2.gz LJYLREVYWMNKEQ-ZHALLVOQSA-N 2 2 336.524 1.299 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262001342 139243074 /nfs/dbraw/zinc/24/30/74/139243074.db2.gz LJYLREVYWMNKEQ-ZHALLVOQSA-N 2 2 336.524 1.299 20 0 EDADLP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414863530 250870257 /nfs/dbraw/zinc/87/02/57/250870257.db2.gz AUFKIHQBTWBDPG-HIFRSBDPSA-N 2 2 335.448 1.392 20 0 EDADLP O=c1[nH]c(CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)nc2ccccc21 ZINC000262044254 139246307 /nfs/dbraw/zinc/24/63/07/139246307.db2.gz YTYZWDIYMQVROG-OAHLLOKOSA-N 2 2 341.459 1.453 20 0 EDADLP [NH3+]C1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCCC1 ZINC000262132853 139253694 /nfs/dbraw/zinc/25/36/94/139253694.db2.gz KPHHMJFMUOXBEG-UHFFFAOYSA-N 2 2 334.439 1.335 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416987943 251119897 /nfs/dbraw/zinc/11/98/97/251119897.db2.gz NESGDGIRVMPOAX-RBSFLKMASA-N 2 2 349.479 1.492 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000416997608 251123240 /nfs/dbraw/zinc/12/32/40/251123240.db2.gz XPICYUXTOZMXTO-JKSUJKDBSA-N 2 2 331.464 1.999 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH3+])[NH+]2CCOCC2)c1 ZINC000416996479 251123559 /nfs/dbraw/zinc/12/35/59/251123559.db2.gz MXPWASSSSIFPPT-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000417466184 251177908 /nfs/dbraw/zinc/17/79/08/251177908.db2.gz JVYTWQSRNZTOJK-GHMZBOCLSA-N 2 2 333.358 1.762 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000417466187 251177968 /nfs/dbraw/zinc/17/79/68/251177968.db2.gz JVYTWQSRNZTOJK-WDEREUQCSA-N 2 2 333.358 1.762 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417580942 251196905 /nfs/dbraw/zinc/19/69/05/251196905.db2.gz FIYNYLPVLGIAAF-NEPJUHHUSA-N 2 2 326.391 1.576 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417580942 251196909 /nfs/dbraw/zinc/19/69/09/251196909.db2.gz FIYNYLPVLGIAAF-NEPJUHHUSA-N 2 2 326.391 1.576 20 0 EDADLP [NH3+]CCCNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417586193 251198155 /nfs/dbraw/zinc/19/81/55/251198155.db2.gz QLMVQWYHWNNXQD-LBPRGKRZSA-N 2 2 326.391 1.577 20 0 EDADLP [NH3+]CCCNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417586193 251198159 /nfs/dbraw/zinc/19/81/59/251198159.db2.gz QLMVQWYHWNNXQD-LBPRGKRZSA-N 2 2 326.391 1.577 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000262430318 139278451 /nfs/dbraw/zinc/27/84/51/139278451.db2.gz WJBVSSJCQXRGDF-ZDUSSCGKSA-N 2 2 345.472 1.558 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)NCC(F)(F)C[NH3+])CC2)[nH+]1 ZINC000417707590 251235878 /nfs/dbraw/zinc/23/58/78/251235878.db2.gz XPZAWIZTTGTEKT-UHFFFAOYSA-N 2 2 327.379 1.252 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C[NH3+])CC(C)C)nc[nH+]1 ZINC000417767874 251260748 /nfs/dbraw/zinc/26/07/48/251260748.db2.gz BZFUSROEHRQPNI-KGLIPLIRSA-N 2 2 349.483 1.160 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C[NH3+])CC(C)C)[nH+]cn1 ZINC000417767874 251260752 /nfs/dbraw/zinc/26/07/52/251260752.db2.gz BZFUSROEHRQPNI-KGLIPLIRSA-N 2 2 349.483 1.160 20 0 EDADLP CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000262449818 139279772 /nfs/dbraw/zinc/27/97/72/139279772.db2.gz HRVZIAKZDPCECS-HNNXBMFYSA-N 2 2 325.478 1.511 20 0 EDADLP CCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000262449818 139279773 /nfs/dbraw/zinc/27/97/73/139279773.db2.gz HRVZIAKZDPCECS-HNNXBMFYSA-N 2 2 325.478 1.511 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418437559 251370046 /nfs/dbraw/zinc/37/00/46/251370046.db2.gz YIAHRSLVOZRIHI-ZWKOTPCHSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418437559 251370048 /nfs/dbraw/zinc/37/00/48/251370048.db2.gz YIAHRSLVOZRIHI-ZWKOTPCHSA-N 2 2 346.475 1.439 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418719828 251397620 /nfs/dbraw/zinc/39/76/20/251397620.db2.gz LEDVQIMZTJIXIR-HOTGVXAUSA-N 3 2 339.528 1.171 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418719828 251397624 /nfs/dbraw/zinc/39/76/24/251397624.db2.gz LEDVQIMZTJIXIR-HOTGVXAUSA-N 3 2 339.528 1.171 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000418626287 251381030 /nfs/dbraw/zinc/38/10/30/251381030.db2.gz LABUKNQNDNBDAM-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)[C@H]1CCCC[NH2+]1 ZINC000422880109 252010065 /nfs/dbraw/zinc/01/00/65/252010065.db2.gz NFQVWTWGZYMAGD-FCEWJHQRSA-N 2 2 344.459 1.752 20 0 EDADLP COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)C2)c1 ZINC000422896943 252014740 /nfs/dbraw/zinc/01/47/40/252014740.db2.gz BADNRFLOIOBXCT-BBWFWOEESA-N 2 2 333.476 1.878 20 0 EDADLP [NH3+]CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000262901638 139311530 /nfs/dbraw/zinc/31/15/30/139311530.db2.gz DRCRMLXDZMHHEZ-SNVBAGLBSA-N 2 2 327.226 1.453 20 0 EDADLP [NH3+]CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000262901638 139311531 /nfs/dbraw/zinc/31/15/31/139311531.db2.gz DRCRMLXDZMHHEZ-SNVBAGLBSA-N 2 2 327.226 1.453 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)[C@H]1CCCC[NH2+]1 ZINC000423068189 252033422 /nfs/dbraw/zinc/03/34/22/252033422.db2.gz BCZQVZWOJYOLML-CZUORRHYSA-N 2 2 326.462 1.073 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000423807839 252084170 /nfs/dbraw/zinc/08/41/70/252084170.db2.gz YBFAEMOTADHOQQ-DOTOQJQBSA-N 2 2 326.444 1.944 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000424176171 252153157 /nfs/dbraw/zinc/15/31/57/252153157.db2.gz RODNTSNZKFTVGA-CQSZACIVSA-N 2 2 330.436 1.246 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424277798 252188027 /nfs/dbraw/zinc/18/80/27/252188027.db2.gz AXDUDBFIMWHGTO-IUIKQTSFSA-N 2 2 325.403 1.872 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](CCCOCCc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424285764 252189718 /nfs/dbraw/zinc/18/97/18/252189718.db2.gz FFMAYMACZUQLHN-RBUKOAKNSA-N 2 2 328.460 1.796 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](CCCOCCc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424285764 252189723 /nfs/dbraw/zinc/18/97/23/252189723.db2.gz FFMAYMACZUQLHN-RBUKOAKNSA-N 2 2 328.460 1.796 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424329541 252195227 /nfs/dbraw/zinc/19/52/27/252195227.db2.gz GUVKCJSOQPATSZ-IAGOWNOFSA-N 2 2 335.448 1.440 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[NH+](C)C)c1 ZINC000262977118 139316406 /nfs/dbraw/zinc/31/64/06/139316406.db2.gz MKHLOSOLDPPEFM-UONOGXRCSA-N 2 2 327.375 1.411 20 0 EDADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])c1 ZINC000415643178 304245528 /nfs/dbraw/zinc/24/55/28/304245528.db2.gz PSQZHMWBXMRURO-ZDUSSCGKSA-N 2 2 343.431 1.752 20 0 EDADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263307447 139334706 /nfs/dbraw/zinc/33/47/06/139334706.db2.gz YATVXJSOCJBSEM-MAUKXSAKSA-N 2 2 343.427 1.339 20 0 EDADLP CC1(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C[NH2+]C1 ZINC000570153836 306531550 /nfs/dbraw/zinc/53/15/50/306531550.db2.gz BZZRONNZKQRWSH-CQSZACIVSA-N 2 2 330.432 1.271 20 0 EDADLP C[C@@H](CNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000487820223 255036162 /nfs/dbraw/zinc/03/61/62/255036162.db2.gz LQZIIHLMAJTPSB-LUKYLMHMSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H](CNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000487820223 255036164 /nfs/dbraw/zinc/03/61/64/255036164.db2.gz LQZIIHLMAJTPSB-LUKYLMHMSA-N 2 2 338.496 1.079 20 0 EDADLP COc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[NH2+]1 ZINC000488584949 255045508 /nfs/dbraw/zinc/04/55/08/255045508.db2.gz VKFBVBKXRKASAG-JKSUJKDBSA-N 2 2 340.427 1.942 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)[C@H](C[NH3+])C1 ZINC000493414095 255207675 /nfs/dbraw/zinc/20/76/75/255207675.db2.gz BKVNYNYHVWUFOP-ZZKXABKFSA-N 2 2 337.807 1.183 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000493650378 255218589 /nfs/dbraw/zinc/21/85/89/255218589.db2.gz JXGMZCSHJJEDLE-MOEXGYKKSA-N 2 2 332.448 1.485 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000493650378 255218590 /nfs/dbraw/zinc/21/85/90/255218590.db2.gz JXGMZCSHJJEDLE-MOEXGYKKSA-N 2 2 332.448 1.485 20 0 EDADLP C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000495261677 255276187 /nfs/dbraw/zinc/27/61/87/255276187.db2.gz ZXVZYKGPIFPQGV-VQIMIIECSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000495261677 255276188 /nfs/dbraw/zinc/27/61/88/255276188.db2.gz ZXVZYKGPIFPQGV-VQIMIIECSA-N 2 2 349.475 1.407 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC000495136940 255269744 /nfs/dbraw/zinc/26/97/44/255269744.db2.gz KJQQEOZZFRDKJU-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CN3CC4(CCCC4)OC3=O)C2)CC1 ZINC000495782747 255325481 /nfs/dbraw/zinc/32/54/81/255325481.db2.gz ZSLTVPOPSUMMRO-INIZCTEOSA-N 2 2 336.480 1.421 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CN3CC4(CCCC4)OC3=O)C2)CC1 ZINC000495782747 255325482 /nfs/dbraw/zinc/32/54/82/255325482.db2.gz ZSLTVPOPSUMMRO-INIZCTEOSA-N 2 2 336.480 1.421 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496310308 255379057 /nfs/dbraw/zinc/37/90/57/255379057.db2.gz VKHGNWKPQGFTHQ-GDBMZVCRSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496310308 255379058 /nfs/dbraw/zinc/37/90/58/255379058.db2.gz VKHGNWKPQGFTHQ-GDBMZVCRSA-N 2 2 341.496 1.678 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117790556 221089818 /nfs/dbraw/zinc/08/98/18/221089818.db2.gz CRHWGTWHHAEJRB-QGZVFWFLSA-N 2 2 328.416 1.713 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117790556 221089823 /nfs/dbraw/zinc/08/98/23/221089823.db2.gz CRHWGTWHHAEJRB-QGZVFWFLSA-N 2 2 328.416 1.713 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000118896822 221202350 /nfs/dbraw/zinc/20/23/50/221202350.db2.gz WJFYJYGWAVOGRY-UHFFFAOYSA-N 2 2 343.431 1.515 20 0 EDADLP COCCOc1ccccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119533573 221341775 /nfs/dbraw/zinc/34/17/75/221341775.db2.gz MFBHQCZJJOXUQX-UHFFFAOYSA-N 2 2 347.503 1.925 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@H]3CO)CC2)c1 ZINC000264267015 139391686 /nfs/dbraw/zinc/39/16/86/139391686.db2.gz KPSYGLCFGUEWBJ-SFHVURJKSA-N 2 2 331.460 1.096 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@H]3CO)CC2)c1 ZINC000264267015 139391687 /nfs/dbraw/zinc/39/16/87/139391687.db2.gz KPSYGLCFGUEWBJ-SFHVURJKSA-N 2 2 331.460 1.096 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264329101 139397550 /nfs/dbraw/zinc/39/75/50/139397550.db2.gz WQLRBXXSTHOALJ-UHFFFAOYSA-N 2 2 342.443 1.638 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000361747427 285390055 /nfs/dbraw/zinc/39/00/55/285390055.db2.gz MLNCCWFCZKNXLI-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000361747427 285390056 /nfs/dbraw/zinc/39/00/56/285390056.db2.gz MLNCCWFCZKNXLI-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)[NH+]1CCSCC1 ZINC000130733831 533271180 /nfs/dbraw/zinc/27/11/80/533271180.db2.gz GCIVZZPWTOJDSY-BBRMVZONSA-N 2 2 339.480 1.982 20 0 EDADLP COC(=O)C1CC[NH+](CC[C@@H](C)[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000153032884 533293938 /nfs/dbraw/zinc/29/39/38/533293938.db2.gz KTGXEYJYWXWTRH-CQSZACIVSA-N 2 2 340.464 1.535 20 0 EDADLP O[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C1CCOCC1 ZINC000269868804 140009210 /nfs/dbraw/zinc/00/92/10/140009210.db2.gz TZOVWOLAURLELU-OAHLLOKOSA-N 2 2 340.387 1.410 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000270807455 140173321 /nfs/dbraw/zinc/17/33/21/140173321.db2.gz OREWDKPBUCTFSJ-MJGOQNOKSA-N 2 2 331.460 1.131 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)ccc2[nH+]1 ZINC000271530564 140307671 /nfs/dbraw/zinc/30/76/71/140307671.db2.gz FKHAZRDDENZEAQ-OAHLLOKOSA-N 2 2 345.447 1.674 20 0 EDADLP C[C@@H](CCn1cccn1)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272325377 140436967 /nfs/dbraw/zinc/43/69/67/140436967.db2.gz JDYRHCRMDRSLCS-SFHVURJKSA-N 3 2 342.491 1.859 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332332563 141163917 /nfs/dbraw/zinc/16/39/17/141163917.db2.gz SXTSNTUEVYVXQZ-HNNXBMFYSA-N 2 2 348.447 1.533 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)ccc2[nH+]1 ZINC000332561029 141203432 /nfs/dbraw/zinc/20/34/32/141203432.db2.gz QOJFNRCTJUKQJK-OLZOCXBDSA-N 2 2 329.404 1.132 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)ccc2[nH+]1 ZINC000332561029 141203433 /nfs/dbraw/zinc/20/34/33/141203433.db2.gz QOJFNRCTJUKQJK-OLZOCXBDSA-N 2 2 329.404 1.132 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000332563704 141204039 /nfs/dbraw/zinc/20/40/39/141204039.db2.gz WLHAMISTOCEJEE-UKRRQHHQSA-N 2 2 347.463 1.675 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000332683515 141228556 /nfs/dbraw/zinc/22/85/56/141228556.db2.gz LIHSWBHGJLPNOY-JKSUJKDBSA-N 2 2 331.464 1.888 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CCOCC1 ZINC000333015982 141250545 /nfs/dbraw/zinc/25/05/45/141250545.db2.gz GZODAKWPESQOTC-UHFFFAOYSA-N 2 2 332.448 1.258 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333022287 141251289 /nfs/dbraw/zinc/25/12/89/141251289.db2.gz JPMANNKNQQJHGM-HZPDHXFCSA-N 2 2 332.448 1.015 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333022287 141251290 /nfs/dbraw/zinc/25/12/90/141251290.db2.gz JPMANNKNQQJHGM-HZPDHXFCSA-N 2 2 332.448 1.015 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC([C@H]4CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000333131002 141268918 /nfs/dbraw/zinc/26/89/18/141268918.db2.gz AZZPKONNPMOREO-RDJZCZTQSA-N 2 2 345.491 1.511 20 0 EDADLP OC[C@H]1CCCN(c2cc(N3CCC([C@H]4CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000333131002 141268920 /nfs/dbraw/zinc/26/89/20/141268920.db2.gz AZZPKONNPMOREO-RDJZCZTQSA-N 2 2 345.491 1.511 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000333161394 141274058 /nfs/dbraw/zinc/27/40/58/141274058.db2.gz NZHBCMRYQPQRSK-IUODEOHRSA-N 2 2 333.436 1.346 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333423237 141315619 /nfs/dbraw/zinc/31/56/19/141315619.db2.gz SWJUONHNHXAELQ-INIZCTEOSA-N 2 2 343.475 1.836 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000333510820 141329227 /nfs/dbraw/zinc/32/92/27/141329227.db2.gz FJSBHDOYVRCUIG-JKSUJKDBSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000333510820 141329229 /nfs/dbraw/zinc/32/92/29/141329229.db2.gz FJSBHDOYVRCUIG-JKSUJKDBSA-N 2 2 338.402 1.761 20 0 EDADLP CC(C)(C)n1cc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)nn1 ZINC000333637059 141348625 /nfs/dbraw/zinc/34/86/25/141348625.db2.gz WSNUIJNOAAHKTE-UHFFFAOYSA-N 2 2 329.452 1.670 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@H](C)O1 ZINC000339323775 142015174 /nfs/dbraw/zinc/01/51/74/142015174.db2.gz RVNHHZAPWKRMDQ-HUUCEWRRSA-N 2 2 349.479 1.518 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c[nH+]1 ZINC000339407834 142040292 /nfs/dbraw/zinc/04/02/92/142040292.db2.gz PAMGIXHQGNNLKB-MOPGFXCFSA-N 3 2 344.503 1.903 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c[nH+]1 ZINC000339407834 142040293 /nfs/dbraw/zinc/04/02/93/142040293.db2.gz PAMGIXHQGNNLKB-MOPGFXCFSA-N 3 2 344.503 1.903 20 0 EDADLP C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000339572281 142080714 /nfs/dbraw/zinc/08/07/14/142080714.db2.gz CYHYQSFMNFFDTC-JKSUJKDBSA-N 2 2 343.471 1.606 20 0 EDADLP C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000339572281 142080715 /nfs/dbraw/zinc/08/07/15/142080715.db2.gz CYHYQSFMNFFDTC-JKSUJKDBSA-N 2 2 343.471 1.606 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000339703709 142126229 /nfs/dbraw/zinc/12/62/29/142126229.db2.gz VFAJSSSAVCNJGX-SJLPKXTDSA-N 2 2 325.497 1.270 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000339703709 142126230 /nfs/dbraw/zinc/12/62/30/142126230.db2.gz VFAJSSSAVCNJGX-SJLPKXTDSA-N 2 2 325.497 1.270 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000340003028 142231253 /nfs/dbraw/zinc/23/12/53/142231253.db2.gz WMLFJRJQHXADDP-UHFFFAOYSA-N 2 2 327.432 1.719 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000340258487 142322588 /nfs/dbraw/zinc/32/25/88/142322588.db2.gz HPJOOAVYLNAURM-GJZGRUSLSA-N 2 2 347.463 1.106 20 0 EDADLP O=C(NCC1CC[NH+](CCO)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000340270350 142326267 /nfs/dbraw/zinc/32/62/67/142326267.db2.gz AVQAMPKLSYABTM-UHFFFAOYSA-N 2 2 342.443 1.366 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](F)C[C@@H]1C(=O)N1CCOCC1 ZINC000346050735 143161858 /nfs/dbraw/zinc/16/18/58/143161858.db2.gz DGIUGPOGSNEXBP-JKSUJKDBSA-N 2 2 338.427 1.243 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](F)C[C@@H]1C(=O)N1CCOCC1 ZINC000346050735 143161859 /nfs/dbraw/zinc/16/18/59/143161859.db2.gz DGIUGPOGSNEXBP-JKSUJKDBSA-N 2 2 338.427 1.243 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000346132961 143171034 /nfs/dbraw/zinc/17/10/34/143171034.db2.gz BCJCTDUCOPBVDK-INIZCTEOSA-N 2 2 332.448 1.276 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000346132961 143171035 /nfs/dbraw/zinc/17/10/35/143171035.db2.gz BCJCTDUCOPBVDK-INIZCTEOSA-N 2 2 332.448 1.276 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346876884 143254899 /nfs/dbraw/zinc/25/48/99/143254899.db2.gz FZCAWWWZILSJDD-SJLPKXTDSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346876884 143254900 /nfs/dbraw/zinc/25/49/00/143254900.db2.gz FZCAWWWZILSJDD-SJLPKXTDSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346876884 143254901 /nfs/dbraw/zinc/25/49/01/143254901.db2.gz FZCAWWWZILSJDD-SJLPKXTDSA-N 3 2 330.480 1.940 20 0 EDADLP Cc1[nH+]ccn1CC[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346876884 143254902 /nfs/dbraw/zinc/25/49/02/143254902.db2.gz FZCAWWWZILSJDD-SJLPKXTDSA-N 3 2 330.480 1.940 20 0 EDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(Br)s2)C1 ZINC000347075698 143279629 /nfs/dbraw/zinc/27/96/29/143279629.db2.gz UNMKXKHKFKHQAA-SECBINFHSA-N 2 2 347.282 1.193 20 0 EDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(Br)s2)C1 ZINC000347075698 143279630 /nfs/dbraw/zinc/27/96/30/143279630.db2.gz UNMKXKHKFKHQAA-SECBINFHSA-N 2 2 347.282 1.193 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347475206 143326222 /nfs/dbraw/zinc/32/62/22/143326222.db2.gz NCMPATMYMNLRLV-ZWKOTPCHSA-N 2 2 345.487 1.938 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347475206 143326223 /nfs/dbraw/zinc/32/62/23/143326223.db2.gz NCMPATMYMNLRLV-ZWKOTPCHSA-N 2 2 345.487 1.938 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Cc3ccccc3CO)CC2)CC1 ZINC000347664192 143346991 /nfs/dbraw/zinc/34/69/91/143346991.db2.gz DMQOMSTXOPJALG-UHFFFAOYSA-N 2 2 345.487 1.207 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000347679998 143348819 /nfs/dbraw/zinc/34/88/19/143348819.db2.gz IQMWQINVNBZENY-MRXNPFEDSA-N 2 2 342.443 1.516 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H](O)c3ccc(C)cc3)CC2)C1 ZINC000369781583 155174905 /nfs/dbraw/zinc/17/49/05/155174905.db2.gz HGCMPCRWSHPPRT-VQTJNVASSA-N 2 2 347.503 1.367 20 0 EDADLP CC(C)c1nc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000369804447 155183746 /nfs/dbraw/zinc/18/37/46/155183746.db2.gz GPVQPXULKCKXKY-AWEZNQCLSA-N 2 2 335.452 1.494 20 0 EDADLP CC(C)c1nc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000369804447 155183751 /nfs/dbraw/zinc/18/37/51/155183751.db2.gz GPVQPXULKCKXKY-AWEZNQCLSA-N 2 2 335.452 1.494 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416893560 304353598 /nfs/dbraw/zinc/35/35/98/304353598.db2.gz PPARMFRIZGUZMG-IRXDYDNUSA-N 2 2 332.448 1.063 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000416893031 304353437 /nfs/dbraw/zinc/35/34/37/304353437.db2.gz PCIIXCNHORFNGJ-KBAYOESNSA-N 2 2 346.475 1.439 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416895966 304353788 /nfs/dbraw/zinc/35/37/88/304353788.db2.gz UVKURYKZBBJHAG-IRXDYDNUSA-N 2 2 334.464 1.342 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[C@H]1O ZINC000352661420 149105697 /nfs/dbraw/zinc/10/56/97/149105697.db2.gz WWORVCHBVKKCIB-ZWKOTPCHSA-N 2 2 331.460 1.176 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[C@H]1O ZINC000352661420 149105698 /nfs/dbraw/zinc/10/56/98/149105698.db2.gz WWORVCHBVKKCIB-ZWKOTPCHSA-N 2 2 331.460 1.176 20 0 EDADLP CCCn1c2ccccc2nc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352720494 149128216 /nfs/dbraw/zinc/12/82/16/149128216.db2.gz NPJCSHJCTONEHG-MRXNPFEDSA-N 2 2 327.476 1.926 20 0 EDADLP Cc1c([C@@H]2OCC[C@@H]2[NH2+]Cc2ncc(C[NH+](C)C)s2)cnn1C ZINC000352742858 149145869 /nfs/dbraw/zinc/14/58/69/149145869.db2.gz REQKRJOQTQOEEM-HOCLYGCPSA-N 2 2 335.477 1.866 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)c2ccccc2C1 ZINC000352749191 149148583 /nfs/dbraw/zinc/14/85/83/149148583.db2.gz QCEVMAXWHFKDLU-PKOBYXMFSA-N 2 2 330.476 1.315 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)c2ccccc2C1 ZINC000352749191 149148587 /nfs/dbraw/zinc/14/85/87/149148587.db2.gz QCEVMAXWHFKDLU-PKOBYXMFSA-N 2 2 330.476 1.315 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000353012687 149253028 /nfs/dbraw/zinc/25/30/28/149253028.db2.gz AQRGHBBUINDCNC-BRWVUGGUSA-N 2 2 332.448 1.014 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000353012687 149253031 /nfs/dbraw/zinc/25/30/31/149253031.db2.gz AQRGHBBUINDCNC-BRWVUGGUSA-N 2 2 332.448 1.014 20 0 EDADLP CCn1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1C ZINC000353013791 149253118 /nfs/dbraw/zinc/25/31/18/149253118.db2.gz BLIWLSDHWGNKIN-ALOPSCKCSA-N 2 2 347.507 1.693 20 0 EDADLP CCn1nc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1C ZINC000353013791 149253120 /nfs/dbraw/zinc/25/31/20/149253120.db2.gz BLIWLSDHWGNKIN-ALOPSCKCSA-N 2 2 347.507 1.693 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000353342748 149373412 /nfs/dbraw/zinc/37/34/12/149373412.db2.gz XPLBFWBRCMXWLO-YJBOKZPZSA-N 2 2 347.459 1.739 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000353342748 149373413 /nfs/dbraw/zinc/37/34/13/149373413.db2.gz XPLBFWBRCMXWLO-YJBOKZPZSA-N 2 2 347.459 1.739 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000369945040 155246913 /nfs/dbraw/zinc/24/69/13/155246913.db2.gz ZFYDNXCDZCGAIW-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CCO1 ZINC000369945040 155246915 /nfs/dbraw/zinc/24/69/15/155246915.db2.gz ZFYDNXCDZCGAIW-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CCO1 ZINC000369945040 155246920 /nfs/dbraw/zinc/24/69/20/155246920.db2.gz ZFYDNXCDZCGAIW-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CCO1 ZINC000369945040 155246922 /nfs/dbraw/zinc/24/69/22/155246922.db2.gz ZFYDNXCDZCGAIW-KRWDZBQOSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000416975043 304358991 /nfs/dbraw/zinc/35/89/91/304358991.db2.gz NIJLAWMHDIHMPS-HOCLYGCPSA-N 2 2 347.463 1.330 20 0 EDADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000354585654 149877191 /nfs/dbraw/zinc/87/71/91/149877191.db2.gz NRMGPWUOQJYADW-KZNAEPCWSA-N 2 2 337.508 1.724 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000416979114 304359949 /nfs/dbraw/zinc/35/99/49/304359949.db2.gz DRFQEWOFEZQQAE-GDBMZVCRSA-N 2 2 347.463 1.200 20 0 EDADLP CC(C)c1nnc(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000369969455 155258595 /nfs/dbraw/zinc/25/85/95/155258595.db2.gz KCLIODKKJFOMIK-CQSZACIVSA-N 2 2 349.479 1.410 20 0 EDADLP CC(C)c1nnc(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000369969455 155258597 /nfs/dbraw/zinc/25/85/97/155258597.db2.gz KCLIODKKJFOMIK-CQSZACIVSA-N 2 2 349.479 1.410 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000354903656 150022778 /nfs/dbraw/zinc/02/27/78/150022778.db2.gz YXYAYRNZIOIVSD-ZBFHGGJFSA-N 2 2 342.422 1.770 20 0 EDADLP C[C@@H]1CN(C(=O)c2cnn3ccccc23)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354976741 150063009 /nfs/dbraw/zinc/06/30/09/150063009.db2.gz OBLVMVDIUILWEW-OAHLLOKOSA-N 2 2 341.459 1.575 20 0 EDADLP C[C@@H]1CN(C(=O)c2cnn3ccccc23)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354976741 150063012 /nfs/dbraw/zinc/06/30/12/150063012.db2.gz OBLVMVDIUILWEW-OAHLLOKOSA-N 2 2 341.459 1.575 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355057165 150095946 /nfs/dbraw/zinc/09/59/46/150095946.db2.gz RRQBGZFZJCCJCC-CVEARBPZSA-N 2 2 336.524 1.534 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355057165 150095948 /nfs/dbraw/zinc/09/59/48/150095948.db2.gz RRQBGZFZJCCJCC-CVEARBPZSA-N 2 2 336.524 1.534 20 0 EDADLP COCCn1cc2c(n1)[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)CCC2 ZINC000355060196 150097116 /nfs/dbraw/zinc/09/71/16/150097116.db2.gz HRYUQENQIBUAPS-KRWDZBQOSA-N 2 2 336.480 1.607 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355111312 150121481 /nfs/dbraw/zinc/12/14/81/150121481.db2.gz NOURNPBAGWZJDO-JKSUJKDBSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355111312 150121483 /nfs/dbraw/zinc/12/14/83/150121483.db2.gz NOURNPBAGWZJDO-JKSUJKDBSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1C1CC[NH+](C)CC1 ZINC000355111312 150121487 /nfs/dbraw/zinc/12/14/87/150121487.db2.gz NOURNPBAGWZJDO-JKSUJKDBSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1C1CC[NH+](C)CC1 ZINC000355111312 150121489 /nfs/dbraw/zinc/12/14/89/150121489.db2.gz NOURNPBAGWZJDO-JKSUJKDBSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2CCCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355115019 150123068 /nfs/dbraw/zinc/12/30/68/150123068.db2.gz VHLPSGDDVHPSPG-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2CCCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355115019 150123070 /nfs/dbraw/zinc/12/30/70/150123070.db2.gz VHLPSGDDVHPSPG-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000355123950 150127538 /nfs/dbraw/zinc/12/75/38/150127538.db2.gz QAXVBKWWAWJFGF-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000355123950 150127539 /nfs/dbraw/zinc/12/75/39/150127539.db2.gz QAXVBKWWAWJFGF-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000355123950 150127542 /nfs/dbraw/zinc/12/75/42/150127542.db2.gz QAXVBKWWAWJFGF-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000355123950 150127544 /nfs/dbraw/zinc/12/75/44/150127544.db2.gz QAXVBKWWAWJFGF-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000355337197 150223215 /nfs/dbraw/zinc/22/32/15/150223215.db2.gz FKMUFMDPUPLNFG-QZTJIDSGSA-N 2 2 340.427 1.808 20 0 EDADLP CC(=O)N1CCC[C@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000355410582 150256768 /nfs/dbraw/zinc/25/67/68/150256768.db2.gz HCJPXQDULLEEQH-GOSISDBHSA-N 2 2 330.476 1.894 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000355479637 150285865 /nfs/dbraw/zinc/28/58/65/150285865.db2.gz ZDSDAECEJKKLFA-OAHLLOKOSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000355479637 150285866 /nfs/dbraw/zinc/28/58/66/150285866.db2.gz ZDSDAECEJKKLFA-OAHLLOKOSA-N 2 2 331.464 1.917 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000355509708 150298287 /nfs/dbraw/zinc/29/82/87/150298287.db2.gz LKSRPQVHOJBYAT-IIAWOOMASA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000355509708 150298289 /nfs/dbraw/zinc/29/82/89/150298289.db2.gz LKSRPQVHOJBYAT-IIAWOOMASA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000355509708 150298291 /nfs/dbraw/zinc/29/82/91/150298291.db2.gz LKSRPQVHOJBYAT-IIAWOOMASA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000355509708 150298294 /nfs/dbraw/zinc/29/82/94/150298294.db2.gz LKSRPQVHOJBYAT-IIAWOOMASA-N 2 2 349.479 1.034 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C1 ZINC000355738278 150381142 /nfs/dbraw/zinc/38/11/42/150381142.db2.gz QXHPGBGXLQRXMU-OLZOCXBDSA-N 2 2 339.402 1.486 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C1 ZINC000355738278 150381145 /nfs/dbraw/zinc/38/11/45/150381145.db2.gz QXHPGBGXLQRXMU-OLZOCXBDSA-N 2 2 339.402 1.486 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417045340 304365803 /nfs/dbraw/zinc/36/58/03/304365803.db2.gz UYDGELXIZUPJHF-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP C[N@H+](CC(=O)N1CCc2sccc2C1)C1CC[NH+](CCO)CC1 ZINC000357649649 151101569 /nfs/dbraw/zinc/10/15/69/151101569.db2.gz OAUGRYVGHOWSHC-UHFFFAOYSA-N 2 2 337.489 1.021 20 0 EDADLP C[N@@H+](CC(=O)N1CCc2sccc2C1)C1CC[NH+](CCO)CC1 ZINC000357649649 151101572 /nfs/dbraw/zinc/10/15/72/151101572.db2.gz OAUGRYVGHOWSHC-UHFFFAOYSA-N 2 2 337.489 1.021 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357653115 151102708 /nfs/dbraw/zinc/10/27/08/151102708.db2.gz XCYMYDGFWYBPQH-HNNXBMFYSA-N 2 2 349.475 1.088 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357653115 151102711 /nfs/dbraw/zinc/10/27/11/151102711.db2.gz XCYMYDGFWYBPQH-HNNXBMFYSA-N 2 2 349.475 1.088 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000358007083 151232748 /nfs/dbraw/zinc/23/27/48/151232748.db2.gz ROJJKASNZQLLKO-DYVFJYSZSA-N 2 2 337.489 1.509 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000358007083 151232749 /nfs/dbraw/zinc/23/27/49/151232749.db2.gz ROJJKASNZQLLKO-DYVFJYSZSA-N 2 2 337.489 1.509 20 0 EDADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000358173946 151295656 /nfs/dbraw/zinc/29/56/56/151295656.db2.gz WAXJIZDZEFLAKW-QZTJIDSGSA-N 2 2 345.487 1.887 20 0 EDADLP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358271308 151322538 /nfs/dbraw/zinc/32/25/38/151322538.db2.gz YDQIWQRFIOOXDT-LBTNJELSSA-N 2 2 326.444 1.857 20 0 EDADLP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358271308 151322540 /nfs/dbraw/zinc/32/25/40/151322540.db2.gz YDQIWQRFIOOXDT-LBTNJELSSA-N 2 2 326.444 1.857 20 0 EDADLP C[C@H](CNC(=O)NCC(F)(F)C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000417119626 304374181 /nfs/dbraw/zinc/37/41/81/304374181.db2.gz TYQMFNGMXRYHSZ-SNVBAGLBSA-N 2 2 332.420 1.388 20 0 EDADLP C[C@H](CNC(=O)NCC(F)(F)C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000417119626 304374183 /nfs/dbraw/zinc/37/41/83/304374183.db2.gz TYQMFNGMXRYHSZ-SNVBAGLBSA-N 2 2 332.420 1.388 20 0 EDADLP COc1cccc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000370111627 155328934 /nfs/dbraw/zinc/32/89/34/155328934.db2.gz MCZCIFAKLQCIGU-AEFFLSMTSA-N 2 2 333.476 1.752 20 0 EDADLP COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000370111629 155329140 /nfs/dbraw/zinc/32/91/40/155329140.db2.gz MCZCIFAKLQCIGU-SJLPKXTDSA-N 2 2 333.476 1.752 20 0 EDADLP CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645265973 452244651 /nfs/dbraw/zinc/24/46/51/452244651.db2.gz PQUHBTIGDPWRNC-OWCLPIDISA-N 2 2 326.485 1.221 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1 ZINC000360775886 152199101 /nfs/dbraw/zinc/19/91/01/152199101.db2.gz NDVIMNCXJCAAEB-HZPDHXFCSA-N 2 2 331.395 1.767 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1 ZINC000360775886 152199103 /nfs/dbraw/zinc/19/91/03/152199103.db2.gz NDVIMNCXJCAAEB-HZPDHXFCSA-N 2 2 331.395 1.767 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000360939879 152259281 /nfs/dbraw/zinc/25/92/81/152259281.db2.gz DZQYOZMKBUVNEC-ZWKOTPCHSA-N 2 2 340.427 1.524 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000360939879 152259283 /nfs/dbraw/zinc/25/92/83/152259283.db2.gz DZQYOZMKBUVNEC-ZWKOTPCHSA-N 2 2 340.427 1.524 20 0 EDADLP Cc1cccc2[nH+]c(CN3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cn21 ZINC000360960446 152264007 /nfs/dbraw/zinc/26/40/07/152264007.db2.gz HQFTZYSMNTWRBA-SFHVURJKSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1cccc2[nH+]c(CN3CCN([C@H]4CCC[N@H+](C)C4)CC3)cn21 ZINC000360960446 152264008 /nfs/dbraw/zinc/26/40/08/152264008.db2.gz HQFTZYSMNTWRBA-SFHVURJKSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1ccc(C2CC[NH+](CC(=O)N[C@H](C)C(=O)N(C)C)CC2)c[nH+]1 ZINC000361000230 152274453 /nfs/dbraw/zinc/27/44/53/152274453.db2.gz VODJOHRNLFWKSS-CQSZACIVSA-N 2 2 332.448 1.162 20 0 EDADLP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000361101185 152304941 /nfs/dbraw/zinc/30/49/41/152304941.db2.gz ZRKNERQFTSETMA-RBUKOAKNSA-N 2 2 343.471 1.637 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](CO)c2cccnc2)CC1 ZINC000361120843 152311962 /nfs/dbraw/zinc/31/19/62/152311962.db2.gz DBFZOBMSWROINE-MRXNPFEDSA-N 2 2 335.448 1.165 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000361127417 152314051 /nfs/dbraw/zinc/31/40/51/152314051.db2.gz XOSVYGDKHODFOR-NVXWUHKLSA-N 2 2 345.491 1.888 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000361127417 152314053 /nfs/dbraw/zinc/31/40/53/152314053.db2.gz XOSVYGDKHODFOR-NVXWUHKLSA-N 2 2 345.491 1.888 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C4CC4)CCOCC3)CC2)CC1 ZINC000361159192 152322127 /nfs/dbraw/zinc/32/21/27/152322127.db2.gz JCEYHDUGLROWQF-UHFFFAOYSA-N 2 2 349.519 1.868 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1OCC(=O)N(C)C ZINC000361207831 152335468 /nfs/dbraw/zinc/33/54/68/152335468.db2.gz BGEAEUIOVSRQKI-HOCLYGCPSA-N 2 2 337.464 1.117 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370151166 155351481 /nfs/dbraw/zinc/35/14/81/155351481.db2.gz UYCBUJZFTNSFCM-HKUYNNGSSA-N 2 2 344.503 1.891 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370151166 155351484 /nfs/dbraw/zinc/35/14/84/155351484.db2.gz UYCBUJZFTNSFCM-HKUYNNGSSA-N 2 2 344.503 1.891 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000362220844 152648995 /nfs/dbraw/zinc/64/89/95/152648995.db2.gz NDATWHPXLOGHCX-MAUKXSAKSA-N 2 2 328.460 1.629 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000363561392 153001299 /nfs/dbraw/zinc/00/12/99/153001299.db2.gz YONLJCSFDIAACB-PVAVHDDUSA-N 2 2 342.443 1.751 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000363561392 153001303 /nfs/dbraw/zinc/00/13/03/153001303.db2.gz YONLJCSFDIAACB-PVAVHDDUSA-N 2 2 342.443 1.751 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000363561392 153001304 /nfs/dbraw/zinc/00/13/04/153001304.db2.gz YONLJCSFDIAACB-PVAVHDDUSA-N 2 2 342.443 1.751 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000363561392 153001306 /nfs/dbraw/zinc/00/13/06/153001306.db2.gz YONLJCSFDIAACB-PVAVHDDUSA-N 2 2 342.443 1.751 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000363940877 153103055 /nfs/dbraw/zinc/10/30/55/153103055.db2.gz QGEYRMNDJHXMBY-QFBILLFUSA-N 2 2 343.471 1.366 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000363940877 153103060 /nfs/dbraw/zinc/10/30/60/153103060.db2.gz QGEYRMNDJHXMBY-QFBILLFUSA-N 2 2 343.471 1.366 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)C1CCCCC1 ZINC000364682550 153302496 /nfs/dbraw/zinc/30/24/96/153302496.db2.gz BFJCNDJLZWMLBB-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)C(C)(C)[NH+]3CCOCC3)CC2)[nH+]1 ZINC000364765793 153326339 /nfs/dbraw/zinc/32/63/39/153326339.db2.gz AJGRQFIKEZAJAA-UHFFFAOYSA-N 2 2 346.475 1.586 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CC(=O)NCC3CC3)[C@@H](C)C2)s1 ZINC000364916579 153369425 /nfs/dbraw/zinc/36/94/25/153369425.db2.gz OCIRZEZQRHMYIF-LRDDRELGSA-N 2 2 336.505 1.778 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CC(=O)NCC3CC3)[C@@H](C)C2)s1 ZINC000364916579 153369429 /nfs/dbraw/zinc/36/94/29/153369429.db2.gz OCIRZEZQRHMYIF-LRDDRELGSA-N 2 2 336.505 1.778 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365013651 153397941 /nfs/dbraw/zinc/39/79/41/153397941.db2.gz DTYLXTMXPNXNQJ-OAHLLOKOSA-N 2 2 336.480 1.167 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000365013651 153397944 /nfs/dbraw/zinc/39/79/44/153397944.db2.gz DTYLXTMXPNXNQJ-OAHLLOKOSA-N 2 2 336.480 1.167 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000367305994 154073572 /nfs/dbraw/zinc/07/35/72/154073572.db2.gz SUPKMWWMRJMLMW-OAHLLOKOSA-N 2 2 346.479 1.026 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000367305994 154073576 /nfs/dbraw/zinc/07/35/76/154073576.db2.gz SUPKMWWMRJMLMW-OAHLLOKOSA-N 2 2 346.479 1.026 20 0 EDADLP Cc1cc(NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)c(C)c[nH+]1 ZINC000367310416 154075283 /nfs/dbraw/zinc/07/52/83/154075283.db2.gz RKBIFPBDZRFBLW-UHFFFAOYSA-N 2 2 332.448 1.839 20 0 EDADLP Cc1cc(NC(=O)N2CCC[N@H+](C3CCOCC3)CC2)c(C)c[nH+]1 ZINC000367310416 154075284 /nfs/dbraw/zinc/07/52/84/154075284.db2.gz RKBIFPBDZRFBLW-UHFFFAOYSA-N 2 2 332.448 1.839 20 0 EDADLP c1csc(N2CCC([NH2+]C[C@H]3C[N@@H+]4CCCC[C@H]4CO3)CC2)n1 ZINC000367397786 154105164 /nfs/dbraw/zinc/10/51/64/154105164.db2.gz YTJQLJYNQVLOKE-HOTGVXAUSA-N 2 2 336.505 1.955 20 0 EDADLP c1csc(N2CCC([NH2+]C[C@H]3C[N@H+]4CCCC[C@H]4CO3)CC2)n1 ZINC000367397786 154105169 /nfs/dbraw/zinc/10/51/69/154105169.db2.gz YTJQLJYNQVLOKE-HOTGVXAUSA-N 2 2 336.505 1.955 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCN1C1CC[NH+](C)CC1 ZINC000367445023 154123886 /nfs/dbraw/zinc/12/38/86/154123886.db2.gz NEEKKCQBCNCDSH-OAHLLOKOSA-N 2 2 341.459 1.575 20 0 EDADLP C[NH2+][C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1cnn(C)c1 ZINC000367651008 154214131 /nfs/dbraw/zinc/21/41/31/154214131.db2.gz MOPHFSJDIGMFDX-OAHLLOKOSA-N 2 2 325.376 1.208 20 0 EDADLP COc1ccc(O)cc1[C@H](C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000368028639 154376921 /nfs/dbraw/zinc/37/69/21/154376921.db2.gz FFGOTQVEHQEYMC-AWEZNQCLSA-N 2 2 347.459 1.700 20 0 EDADLP COc1ccc(O)cc1[C@H](C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000368028639 154376925 /nfs/dbraw/zinc/37/69/25/154376925.db2.gz FFGOTQVEHQEYMC-AWEZNQCLSA-N 2 2 347.459 1.700 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369641179 155118189 /nfs/dbraw/zinc/11/81/89/155118189.db2.gz RZJLZVBXLKITLC-OAHLLOKOSA-N 2 2 330.436 1.682 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC3CCCCCC3)C2)CC1 ZINC000371591124 156020483 /nfs/dbraw/zinc/02/04/83/156020483.db2.gz APSYGGXZKLXNRK-SFHVURJKSA-N 2 2 336.524 1.537 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC3CCCCCC3)C2)CC1 ZINC000371591124 156020486 /nfs/dbraw/zinc/02/04/86/156020486.db2.gz APSYGGXZKLXNRK-SFHVURJKSA-N 2 2 336.524 1.537 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)C(=O)C1 ZINC000371636496 156042662 /nfs/dbraw/zinc/04/26/62/156042662.db2.gz CLPINKCBYDRNRR-UHFFFAOYSA-N 2 2 347.434 1.637 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)C(=O)C1 ZINC000371636496 156042665 /nfs/dbraw/zinc/04/26/65/156042665.db2.gz CLPINKCBYDRNRR-UHFFFAOYSA-N 2 2 347.434 1.637 20 0 EDADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000372060004 156228902 /nfs/dbraw/zinc/22/89/02/156228902.db2.gz CHWVTPLERGSIMQ-XWSJACJDSA-N 3 2 338.540 1.101 20 0 EDADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000372060004 156228909 /nfs/dbraw/zinc/22/89/09/156228909.db2.gz CHWVTPLERGSIMQ-XWSJACJDSA-N 3 2 338.540 1.101 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C)[nH+]cc2C)CC1=O ZINC000372164942 156250057 /nfs/dbraw/zinc/25/00/57/156250057.db2.gz NZNQHVQFIYEZCI-HZPDHXFCSA-N 2 2 344.459 1.392 20 0 EDADLP COc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000372343027 156343205 /nfs/dbraw/zinc/34/32/05/156343205.db2.gz AIXJVBXRZNOGES-CYBMUJFWSA-N 2 2 335.423 1.733 20 0 EDADLP COc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000372343027 156343208 /nfs/dbraw/zinc/34/32/08/156343208.db2.gz AIXJVBXRZNOGES-CYBMUJFWSA-N 2 2 335.423 1.733 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc2c[nH]nc2c1 ZINC000372416802 156379758 /nfs/dbraw/zinc/37/97/58/156379758.db2.gz RFSYMEGWMWZUSE-QAPCUYQASA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc2c[nH]nc2c1 ZINC000372416802 156379759 /nfs/dbraw/zinc/37/97/59/156379759.db2.gz RFSYMEGWMWZUSE-QAPCUYQASA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000372416802 156379763 /nfs/dbraw/zinc/37/97/63/156379763.db2.gz RFSYMEGWMWZUSE-QAPCUYQASA-N 2 2 343.475 1.400 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000372416802 156379765 /nfs/dbraw/zinc/37/97/65/156379765.db2.gz RFSYMEGWMWZUSE-QAPCUYQASA-N 2 2 343.475 1.400 20 0 EDADLP COc1ccccc1C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000372417679 156379972 /nfs/dbraw/zinc/37/99/72/156379972.db2.gz XEWZNDPLHZZBIT-WMZOPIPTSA-N 2 2 333.476 1.532 20 0 EDADLP COc1ccccc1C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000372417679 156379975 /nfs/dbraw/zinc/37/99/75/156379975.db2.gz XEWZNDPLHZZBIT-WMZOPIPTSA-N 2 2 333.476 1.532 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000372417679 156379979 /nfs/dbraw/zinc/37/99/79/156379979.db2.gz XEWZNDPLHZZBIT-WMZOPIPTSA-N 2 2 333.476 1.532 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000372417679 156379982 /nfs/dbraw/zinc/37/99/82/156379982.db2.gz XEWZNDPLHZZBIT-WMZOPIPTSA-N 2 2 333.476 1.532 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000372442952 156392601 /nfs/dbraw/zinc/39/26/01/156392601.db2.gz CIJMINCGRSDILJ-CQSZACIVSA-N 2 2 331.464 1.826 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000372442952 156392603 /nfs/dbraw/zinc/39/26/03/156392603.db2.gz CIJMINCGRSDILJ-CQSZACIVSA-N 2 2 331.464 1.826 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)CCc3c[nH+]cn3C)CC2)[nH+]c1 ZINC000373852401 157033677 /nfs/dbraw/zinc/03/36/77/157033677.db2.gz UWJQTWYLQOTINO-UHFFFAOYSA-N 2 2 327.432 1.841 20 0 EDADLP Cc1nnc(N2CCC([NH2+]C[C@H](C)C[NH+]3CCOCC3)CC2)s1 ZINC000374714991 157375607 /nfs/dbraw/zinc/37/56/07/157375607.db2.gz YOHNJSFPCBHFKP-ZDUSSCGKSA-N 2 2 339.509 1.373 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOc3cc(OC)ccc3C2)CC1 ZINC000374775401 157395868 /nfs/dbraw/zinc/39/58/68/157395868.db2.gz JONXSRRGOCAWQT-OAHLLOKOSA-N 2 2 347.459 1.442 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOc3cc(OC)ccc3C2)CC1 ZINC000374775401 157395872 /nfs/dbraw/zinc/39/58/72/157395872.db2.gz JONXSRRGOCAWQT-OAHLLOKOSA-N 2 2 347.459 1.442 20 0 EDADLP C[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000377935718 158033739 /nfs/dbraw/zinc/03/37/39/158033739.db2.gz GAHSCPZPLVGTKS-ZQIUZPCESA-N 2 2 329.460 1.424 20 0 EDADLP C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000377935718 158033740 /nfs/dbraw/zinc/03/37/40/158033740.db2.gz GAHSCPZPLVGTKS-ZQIUZPCESA-N 2 2 329.460 1.424 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000378103010 158078558 /nfs/dbraw/zinc/07/85/58/158078558.db2.gz RWGPOKQDERDXEN-UHFFFAOYSA-N 2 2 345.422 1.977 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000378103010 158078559 /nfs/dbraw/zinc/07/85/59/158078559.db2.gz RWGPOKQDERDXEN-UHFFFAOYSA-N 2 2 345.422 1.977 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378309049 158135676 /nfs/dbraw/zinc/13/56/76/158135676.db2.gz AWUMPDIEYCNZQX-SJLPKXTDSA-N 2 2 330.476 1.583 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378309049 158135677 /nfs/dbraw/zinc/13/56/77/158135677.db2.gz AWUMPDIEYCNZQX-SJLPKXTDSA-N 2 2 330.476 1.583 20 0 EDADLP COCCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCC1 ZINC000378375031 158156871 /nfs/dbraw/zinc/15/68/71/158156871.db2.gz ZHDRAYLMDZREHW-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP COCCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCC1 ZINC000378375031 158156873 /nfs/dbraw/zinc/15/68/73/158156873.db2.gz ZHDRAYLMDZREHW-INIZCTEOSA-N 2 2 337.508 1.820 20 0 EDADLP CN(Cc1cn2ccccc2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378431764 158171147 /nfs/dbraw/zinc/17/11/47/158171147.db2.gz OPIPOVXYZFCVSK-GOSISDBHSA-N 2 2 327.476 1.935 20 0 EDADLP CN(Cc1cn2ccccc2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378431764 158171150 /nfs/dbraw/zinc/17/11/50/158171150.db2.gz OPIPOVXYZFCVSK-GOSISDBHSA-N 2 2 327.476 1.935 20 0 EDADLP C[N@H+](Cc1cn2ccccc2n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378431764 158171151 /nfs/dbraw/zinc/17/11/51/158171151.db2.gz OPIPOVXYZFCVSK-GOSISDBHSA-N 2 2 327.476 1.935 20 0 EDADLP C[N@@H+](Cc1cn2ccccc2n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378431764 158171154 /nfs/dbraw/zinc/17/11/54/158171154.db2.gz OPIPOVXYZFCVSK-GOSISDBHSA-N 2 2 327.476 1.935 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(N)nc(N)n2)cc1F ZINC000378464602 158181293 /nfs/dbraw/zinc/18/12/93/158181293.db2.gz CYZNXBQRQWYNQW-SECBINFHSA-N 2 2 342.382 1.181 20 0 EDADLP CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000576043908 306676333 /nfs/dbraw/zinc/67/63/33/306676333.db2.gz BDVDVDXICWCIQV-IEBWSBKVSA-N 2 2 347.503 1.718 20 0 EDADLP O=C1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000417969690 304440354 /nfs/dbraw/zinc/44/03/54/304440354.db2.gz PXPCDMCCASECLN-OTWHNJEPSA-N 2 2 343.471 1.313 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CC[C@@H](O)C3)CC2)CC1 ZINC000352252587 162074582 /nfs/dbraw/zinc/07/45/82/162074582.db2.gz FLCVBIGGVZEPJM-WMLDXEAASA-N 2 2 338.496 1.005 20 0 EDADLP COC[C@@H]1C[C@@H](OC)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352353502 162136200 /nfs/dbraw/zinc/13/62/00/162136200.db2.gz YFGHVFQYMRYNMG-VQTJNVASSA-N 2 2 347.503 1.934 20 0 EDADLP COC[C@@H]1C[C@@H](OC)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352353502 162136203 /nfs/dbraw/zinc/13/62/03/162136203.db2.gz YFGHVFQYMRYNMG-VQTJNVASSA-N 2 2 347.503 1.934 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000352460451 162193379 /nfs/dbraw/zinc/19/33/79/162193379.db2.gz DRDHUMOTTUUFGJ-OAHLLOKOSA-N 2 2 333.501 1.598 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000352460451 162193382 /nfs/dbraw/zinc/19/33/82/162193382.db2.gz DRDHUMOTTUUFGJ-OAHLLOKOSA-N 2 2 333.501 1.598 20 0 EDADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352512224 162221675 /nfs/dbraw/zinc/22/16/75/162221675.db2.gz WRRRRFPJXNFVBK-QAPCUYQASA-N 2 2 348.466 1.152 20 0 EDADLP CN1C(=O)c2ccc(NC(=O)C[N@@H+]3CCCC[C@H]3CC[NH3+])cc2C1=O ZINC000352527124 162232312 /nfs/dbraw/zinc/23/23/12/162232312.db2.gz WVGCSPDNHJXCSG-ZDUSSCGKSA-N 2 2 344.415 1.054 20 0 EDADLP CN1C(=O)c2ccc(NC(=O)C[N@H+]3CCCC[C@H]3CC[NH3+])cc2C1=O ZINC000352527124 162232314 /nfs/dbraw/zinc/23/23/14/162232314.db2.gz WVGCSPDNHJXCSG-ZDUSSCGKSA-N 2 2 344.415 1.054 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000355477061 162272244 /nfs/dbraw/zinc/27/22/44/162272244.db2.gz YVDWCPNULLKWHR-IBGZPJMESA-N 2 2 345.487 1.688 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000355477061 162272246 /nfs/dbraw/zinc/27/22/46/162272246.db2.gz YVDWCPNULLKWHR-IBGZPJMESA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000357225092 162283109 /nfs/dbraw/zinc/28/31/09/162283109.db2.gz CRWNLJBTZRMHNB-HOTGVXAUSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000357225092 162283111 /nfs/dbraw/zinc/28/31/11/162283111.db2.gz CRWNLJBTZRMHNB-HOTGVXAUSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000349721653 298504518 /nfs/dbraw/zinc/50/45/18/298504518.db2.gz INGKRCSHKOHHDU-IUODEOHRSA-N 2 2 333.411 1.898 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000052357104 287222503 /nfs/dbraw/zinc/22/25/03/287222503.db2.gz XZOFXOSADJTGLG-UHFFFAOYSA-N 2 2 326.400 1.162 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2nccnc2c1 ZINC000122930019 287384385 /nfs/dbraw/zinc/38/43/85/287384385.db2.gz KQNZRLDILVBXOY-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2nccnc2c1 ZINC000122930019 287384386 /nfs/dbraw/zinc/38/43/86/287384386.db2.gz KQNZRLDILVBXOY-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000163951319 226033531 /nfs/dbraw/zinc/03/35/31/226033531.db2.gz ATMCDFDJXDPFBY-HNNXBMFYSA-N 2 2 327.432 1.121 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CSC[NH2+]3)c2)CCO1 ZINC000166127104 226150237 /nfs/dbraw/zinc/15/02/37/226150237.db2.gz FDCSXEUCQDSZJH-CJNGLKHVSA-N 2 2 335.473 1.186 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CSC[NH2+]3)c2)CCO1 ZINC000166127104 226150242 /nfs/dbraw/zinc/15/02/42/226150242.db2.gz FDCSXEUCQDSZJH-CJNGLKHVSA-N 2 2 335.473 1.186 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418364696 304486421 /nfs/dbraw/zinc/48/64/21/304486421.db2.gz DHELETMQQGEFLM-GJZGRUSLSA-N 2 2 333.480 1.964 20 0 EDADLP CC[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000123096899 222215537 /nfs/dbraw/zinc/21/55/37/222215537.db2.gz XUPRSDPNIIQSSO-SFHVURJKSA-N 2 2 330.476 1.956 20 0 EDADLP CC[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000123096899 222215539 /nfs/dbraw/zinc/21/55/39/222215539.db2.gz XUPRSDPNIIQSSO-SFHVURJKSA-N 2 2 330.476 1.956 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245457158 273015070 /nfs/dbraw/zinc/01/50/70/273015070.db2.gz UEVRPGAZLWHKCQ-CVEARBPZSA-N 2 2 338.496 1.665 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245457158 273015072 /nfs/dbraw/zinc/01/50/72/273015072.db2.gz UEVRPGAZLWHKCQ-CVEARBPZSA-N 2 2 338.496 1.665 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2nccnc21 ZINC000273261830 268006970 /nfs/dbraw/zinc/00/69/70/268006970.db2.gz KVMYDCHVEDIYJO-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2nccnc21 ZINC000273261830 268006972 /nfs/dbraw/zinc/00/69/72/268006972.db2.gz KVMYDCHVEDIYJO-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000275531414 268355650 /nfs/dbraw/zinc/35/56/50/268355650.db2.gz FXGBTCBMINCVCH-CQSZACIVSA-N 2 2 329.404 1.414 20 0 EDADLP CNC(=O)c1cccc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)c1 ZINC000274179218 273075079 /nfs/dbraw/zinc/07/50/79/273075079.db2.gz DZIRQRNYRVJGKU-UHFFFAOYSA-N 2 2 347.459 1.553 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000274242337 273079305 /nfs/dbraw/zinc/07/93/05/273079305.db2.gz WKZRFRBOSSGGSS-QGZVFWFLSA-N 2 2 338.423 1.866 20 0 EDADLP CN1CC[N@H+](C)[C@H](CNC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000275668689 273117915 /nfs/dbraw/zinc/11/79/15/273117915.db2.gz ORKUYOJVCVXIDV-MRXNPFEDSA-N 2 2 333.480 1.158 20 0 EDADLP CN1CC[N@@H+](C)[C@H](CNC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000275668689 273117917 /nfs/dbraw/zinc/11/79/17/273117917.db2.gz ORKUYOJVCVXIDV-MRXNPFEDSA-N 2 2 333.480 1.158 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCn4ncc(C(N)=O)c4C3)n2c1 ZINC000275678882 273118708 /nfs/dbraw/zinc/11/87/08/273118708.db2.gz WDOSLOQLYYDJPE-ZDUSSCGKSA-N 2 2 338.415 1.290 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277120341 273180873 /nfs/dbraw/zinc/18/08/73/273180873.db2.gz HSIHAZIQBHOFTE-SFHVURJKSA-N 2 2 333.476 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277120341 273180874 /nfs/dbraw/zinc/18/08/74/273180874.db2.gz HSIHAZIQBHOFTE-SFHVURJKSA-N 2 2 333.476 1.865 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000280581956 273373973 /nfs/dbraw/zinc/37/39/73/273373973.db2.gz AIHBNEPXTWRASH-MSOLQXFVSA-N 2 2 340.427 1.385 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000280581956 273373975 /nfs/dbraw/zinc/37/39/75/273373975.db2.gz AIHBNEPXTWRASH-MSOLQXFVSA-N 2 2 340.427 1.385 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000283895715 274001615 /nfs/dbraw/zinc/00/16/15/274001615.db2.gz IOKXNVKWXTUGBE-OAHLLOKOSA-N 2 2 345.447 1.206 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000284048359 274060956 /nfs/dbraw/zinc/06/09/56/274060956.db2.gz PPZKOXFPPLKSDD-OAHLLOKOSA-N 2 2 347.463 1.037 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000284273786 274142458 /nfs/dbraw/zinc/14/24/58/274142458.db2.gz MXRAMBDIAVMDBT-WDSOQIARSA-N 2 2 344.503 1.574 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc2c[nH+]cn2c1 ZINC000284439342 274202781 /nfs/dbraw/zinc/20/27/81/274202781.db2.gz HAHDSVALSJHZBQ-UHFFFAOYSA-N 2 2 337.383 1.496 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@H]21 ZINC000284881944 274370970 /nfs/dbraw/zinc/37/09/70/274370970.db2.gz ZIZACGZLOXFPHD-MOPGFXCFSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@H]21 ZINC000284881944 274370973 /nfs/dbraw/zinc/37/09/73/274370973.db2.gz ZIZACGZLOXFPHD-MOPGFXCFSA-N 2 2 343.471 1.828 20 0 EDADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1c(F)cncc1F ZINC000285435864 274542022 /nfs/dbraw/zinc/54/20/22/274542022.db2.gz HSWLYVXLZCTJMR-GFCCVEGCSA-N 2 2 348.401 1.752 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000647966232 452711398 /nfs/dbraw/zinc/71/13/98/452711398.db2.gz HKATVIZOLMCGRH-AEFFLSMTSA-N 2 2 328.497 1.738 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000647966232 452711405 /nfs/dbraw/zinc/71/14/05/452711405.db2.gz HKATVIZOLMCGRH-AEFFLSMTSA-N 2 2 328.497 1.738 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc2n1CCOC2 ZINC000366650806 276067929 /nfs/dbraw/zinc/06/79/29/276067929.db2.gz FHGGAVXKXBNIDL-AWEZNQCLSA-N 2 2 330.436 1.793 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc2n1CCOC2 ZINC000366650806 276067930 /nfs/dbraw/zinc/06/79/30/276067930.db2.gz FHGGAVXKXBNIDL-AWEZNQCLSA-N 2 2 330.436 1.793 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000369032012 276068133 /nfs/dbraw/zinc/06/81/33/276068133.db2.gz CWAJRVPMHXIANK-IRXDYDNUSA-N 2 2 336.480 1.337 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCOCC2)C1 ZINC000369032012 276068135 /nfs/dbraw/zinc/06/81/35/276068135.db2.gz CWAJRVPMHXIANK-IRXDYDNUSA-N 2 2 336.480 1.337 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000343497224 276253274 /nfs/dbraw/zinc/25/32/74/276253274.db2.gz KRWXYIVBVBHIIZ-LPHOPBHVSA-N 3 2 344.503 1.504 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000343497224 276253277 /nfs/dbraw/zinc/25/32/77/276253277.db2.gz KRWXYIVBVBHIIZ-LPHOPBHVSA-N 3 2 344.503 1.504 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc2[nH+]ccn2c1 ZINC000366443464 276785678 /nfs/dbraw/zinc/78/56/78/276785678.db2.gz UVSIYYQYADNQAU-OWCLPIDISA-N 2 2 328.416 1.658 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2Cc2ccccc2)CC1 ZINC000338317655 277089094 /nfs/dbraw/zinc/08/90/94/277089094.db2.gz OOICLCYVFKNMIZ-SFHVURJKSA-N 2 2 331.460 1.094 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2Cc2ccccc2)CC1 ZINC000338317655 277089096 /nfs/dbraw/zinc/08/90/96/277089096.db2.gz OOICLCYVFKNMIZ-SFHVURJKSA-N 2 2 331.460 1.094 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]21 ZINC000343305853 277120446 /nfs/dbraw/zinc/12/04/46/277120446.db2.gz VLOFRUDIUIVOPN-CGTJXYLNSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)C[C@H]21 ZINC000343305853 277120447 /nfs/dbraw/zinc/12/04/47/277120447.db2.gz VLOFRUDIUIVOPN-CGTJXYLNSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C[C@H]21 ZINC000343305853 277120448 /nfs/dbraw/zinc/12/04/48/277120448.db2.gz VLOFRUDIUIVOPN-CGTJXYLNSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C[C@H]21 ZINC000343305853 277120449 /nfs/dbraw/zinc/12/04/49/277120449.db2.gz VLOFRUDIUIVOPN-CGTJXYLNSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171772 /nfs/dbraw/zinc/17/17/72/277171772.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 3 2 343.515 1.868 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171774 /nfs/dbraw/zinc/17/17/74/277171774.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171775 /nfs/dbraw/zinc/17/17/75/277171775.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171776 /nfs/dbraw/zinc/17/17/76/277171776.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 3 2 343.515 1.868 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[N@H+](C)C1 ZINC000332291415 277347182 /nfs/dbraw/zinc/34/71/82/277347182.db2.gz ZRNUWZZRGYMHAD-IHRRRGAJSA-N 2 2 334.464 1.331 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)[N@@H+](C)C1 ZINC000332291415 277347183 /nfs/dbraw/zinc/34/71/83/277347183.db2.gz ZRNUWZZRGYMHAD-IHRRRGAJSA-N 2 2 334.464 1.331 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1)[NH+]1CCSCC1 ZINC000366706197 277544401 /nfs/dbraw/zinc/54/44/01/277544401.db2.gz BOOFMMZBQOUQJA-UONOGXRCSA-N 2 2 329.535 1.073 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376276607 277584049 /nfs/dbraw/zinc/58/40/49/277584049.db2.gz WJMJSMYFAGMIFC-DOTOQJQBSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000356835275 278090312 /nfs/dbraw/zinc/09/03/12/278090312.db2.gz BNWNZUJZZVXXDY-CABCVRRESA-N 2 2 333.480 1.183 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000356835275 278090315 /nfs/dbraw/zinc/09/03/15/278090315.db2.gz BNWNZUJZZVXXDY-CABCVRRESA-N 2 2 333.480 1.183 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[NH+]1CCCC1 ZINC000286635423 288051145 /nfs/dbraw/zinc/05/11/45/288051145.db2.gz KQRPOFRMGHEXBC-OAHLLOKOSA-N 2 2 349.479 1.053 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCOC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000348813031 279223647 /nfs/dbraw/zinc/22/36/47/279223647.db2.gz ABKFZLURABFMGQ-HZPDHXFCSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCOC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000348813031 279223648 /nfs/dbraw/zinc/22/36/48/279223648.db2.gz ABKFZLURABFMGQ-HZPDHXFCSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000348813031 279223649 /nfs/dbraw/zinc/22/36/49/279223649.db2.gz ABKFZLURABFMGQ-HZPDHXFCSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000348813031 279223650 /nfs/dbraw/zinc/22/36/50/279223650.db2.gz ABKFZLURABFMGQ-HZPDHXFCSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000377194327 279233293 /nfs/dbraw/zinc/23/32/93/279233293.db2.gz AELSRYCWRZNWRN-IEZWGBDMSA-N 3 2 344.503 1.607 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000377194327 279233296 /nfs/dbraw/zinc/23/32/96/279233296.db2.gz AELSRYCWRZNWRN-IEZWGBDMSA-N 3 2 344.503 1.607 20 0 EDADLP CC[N@@H+]1CCCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000495677707 279290234 /nfs/dbraw/zinc/29/02/34/279290234.db2.gz RATJCKUNFRDLBL-UHFFFAOYSA-N 2 2 340.512 1.567 20 0 EDADLP CC[N@H+]1CCCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000495677707 279290235 /nfs/dbraw/zinc/29/02/35/279290235.db2.gz RATJCKUNFRDLBL-UHFFFAOYSA-N 2 2 340.512 1.567 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074497840 279309075 /nfs/dbraw/zinc/30/90/75/279309075.db2.gz LJOCHKJORDHRQG-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074497840 279309078 /nfs/dbraw/zinc/30/90/78/279309078.db2.gz LJOCHKJORDHRQG-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000333303347 279505685 /nfs/dbraw/zinc/50/56/85/279505685.db2.gz QKULGHDHNHKBAS-BFHYXJOUSA-N 2 2 343.518 1.631 20 0 EDADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366064702 280137157 /nfs/dbraw/zinc/13/71/57/280137157.db2.gz YZKWCZVKEFBSEJ-WMZOPIPTSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366064702 280137159 /nfs/dbraw/zinc/13/71/59/280137159.db2.gz YZKWCZVKEFBSEJ-WMZOPIPTSA-N 2 2 335.492 1.574 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)CN1CC[NH+]1CCOCC1 ZINC000181044934 280272614 /nfs/dbraw/zinc/27/26/14/280272614.db2.gz WBLJRYAFEPPXFL-WMZOPIPTSA-N 2 2 347.434 1.336 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C[C@H]1[NH+]1CCOCC1 ZINC000333981656 280360329 /nfs/dbraw/zinc/36/03/29/280360329.db2.gz AVFNDRUPNISEBH-KLHDSHLOSA-N 2 2 347.463 1.641 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)C2 ZINC000333645904 280670295 /nfs/dbraw/zinc/67/02/95/280670295.db2.gz IZPMMKMRNCKKBX-ZIAGYGMSSA-N 2 2 333.480 1.999 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)C2 ZINC000333645903 280670552 /nfs/dbraw/zinc/67/05/52/280670552.db2.gz IZPMMKMRNCKKBX-UONOGXRCSA-N 2 2 333.480 1.999 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000420172763 280993313 /nfs/dbraw/zinc/99/33/13/280993313.db2.gz VYLLRSUWYIMBML-ZIAGYGMSSA-N 2 2 347.463 1.358 20 0 EDADLP CC1(C)C[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)[C@@H]1[C@@H]1CCCO1 ZINC000495849452 281241837 /nfs/dbraw/zinc/24/18/37/281241837.db2.gz KBCDQPHQHSZOGQ-FCEWJHQRSA-N 2 2 349.475 1.750 20 0 EDADLP CC1(C)C[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)[C@@H]1[C@@H]1CCCO1 ZINC000495849452 281241838 /nfs/dbraw/zinc/24/18/38/281241838.db2.gz KBCDQPHQHSZOGQ-FCEWJHQRSA-N 2 2 349.475 1.750 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000289329849 288674640 /nfs/dbraw/zinc/67/46/40/288674640.db2.gz GPJAUFJMIXAUHF-CRAIPNDOSA-N 2 2 327.432 1.666 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000289657539 288753769 /nfs/dbraw/zinc/75/37/69/288753769.db2.gz CRVRMZBHQFRBEE-CABCVRRESA-N 2 2 337.489 1.546 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)cn2c1 ZINC000289939692 288807875 /nfs/dbraw/zinc/80/78/75/288807875.db2.gz WAZOFDKHSRKBCT-GJZGRUSLSA-N 2 2 344.484 1.944 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000155365990 289020873 /nfs/dbraw/zinc/02/08/73/289020873.db2.gz DVTAYGJJUFOERB-NVXWUHKLSA-N 2 2 333.480 1.330 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000155365990 289020874 /nfs/dbraw/zinc/02/08/74/289020874.db2.gz DVTAYGJJUFOERB-NVXWUHKLSA-N 2 2 333.480 1.330 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000291275156 289029230 /nfs/dbraw/zinc/02/92/30/289029230.db2.gz LRWCBQADYDBWQR-RDTXWAMCSA-N 2 2 334.439 1.989 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000291275156 289029232 /nfs/dbraw/zinc/02/92/32/289029232.db2.gz LRWCBQADYDBWQR-RDTXWAMCSA-N 2 2 334.439 1.989 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)c1cc(C[NH+]2CCCC2)on1 ZINC000291671659 289145318 /nfs/dbraw/zinc/14/53/18/289145318.db2.gz KMIJNETYBJIDEQ-UHFFFAOYSA-N 2 2 329.404 1.733 20 0 EDADLP CO[C@@H]1COC[C@H]1n1cc(C[NH2+]CCCc2c[nH+]ccc2C)nn1 ZINC000291696067 289153115 /nfs/dbraw/zinc/15/31/15/289153115.db2.gz YNUMSNAOGLZXEH-IAGOWNOFSA-N 2 2 331.420 1.290 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158558552 289195907 /nfs/dbraw/zinc/19/59/07/289195907.db2.gz KRXNSRVRWRXMKX-WMZOPIPTSA-N 3 2 332.492 1.289 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158558552 289195908 /nfs/dbraw/zinc/19/59/08/289195908.db2.gz KRXNSRVRWRXMKX-WMZOPIPTSA-N 3 2 332.492 1.289 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000331933508 290202936 /nfs/dbraw/zinc/20/29/36/290202936.db2.gz ORWQBLHNRDKMOE-HOTGVXAUSA-N 2 2 338.402 1.843 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CCC([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000331933508 290202941 /nfs/dbraw/zinc/20/29/41/290202941.db2.gz ORWQBLHNRDKMOE-HOTGVXAUSA-N 2 2 338.402 1.843 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)CC[NH+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000660139277 453070639 /nfs/dbraw/zinc/07/06/39/453070639.db2.gz QUYCMEFVYJBXPL-CALCHBBNSA-N 3 2 326.529 1.053 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000660139277 453070646 /nfs/dbraw/zinc/07/06/46/453070646.db2.gz QUYCMEFVYJBXPL-CALCHBBNSA-N 3 2 326.529 1.053 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cnc4cnccn34)C2)CC1 ZINC000377706082 447307008 /nfs/dbraw/zinc/30/70/08/447307008.db2.gz TUGVVPWGQLKWIR-INIZCTEOSA-N 2 2 328.464 1.331 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cnc4cnccn34)C2)CC1 ZINC000377706082 447307011 /nfs/dbraw/zinc/30/70/11/447307011.db2.gz TUGVVPWGQLKWIR-INIZCTEOSA-N 2 2 328.464 1.331 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000420280133 304742853 /nfs/dbraw/zinc/74/28/53/304742853.db2.gz YDUOEZOSCKNERA-UHFFFAOYSA-N 2 2 325.434 1.534 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000414689380 447317590 /nfs/dbraw/zinc/31/75/90/447317590.db2.gz KXVVPNASUAGOBI-ZIAGYGMSSA-N 2 2 347.463 1.477 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000120564891 302387509 /nfs/dbraw/zinc/38/75/09/302387509.db2.gz JXAUGQAKPMKTHT-HNNXBMFYSA-N 2 2 333.436 1.454 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000120564891 302387511 /nfs/dbraw/zinc/38/75/11/302387511.db2.gz JXAUGQAKPMKTHT-HNNXBMFYSA-N 2 2 333.436 1.454 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000294066948 303058175 /nfs/dbraw/zinc/05/81/75/303058175.db2.gz BKQRXXAHBMMYPP-OAHLLOKOSA-N 2 2 332.448 1.964 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000294859424 303150537 /nfs/dbraw/zinc/15/05/37/303150537.db2.gz VRTRFFCQNYITPT-HNNXBMFYSA-N 2 2 333.480 1.945 20 0 EDADLP COc1nccnc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000294995401 303160569 /nfs/dbraw/zinc/16/05/69/303160569.db2.gz HKKDULQOZRWITM-QGZVFWFLSA-N 2 2 342.443 1.732 20 0 EDADLP COc1nccnc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000294995401 303160571 /nfs/dbraw/zinc/16/05/71/303160571.db2.gz HKKDULQOZRWITM-QGZVFWFLSA-N 2 2 342.443 1.732 20 0 EDADLP CCOC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295994877 303288193 /nfs/dbraw/zinc/28/81/93/303288193.db2.gz PGTCYQVHRCVGHC-HOTGVXAUSA-N 2 2 335.448 1.532 20 0 EDADLP CCOC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295994877 303288194 /nfs/dbraw/zinc/28/81/94/303288194.db2.gz PGTCYQVHRCVGHC-HOTGVXAUSA-N 2 2 335.448 1.532 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000297026270 303355358 /nfs/dbraw/zinc/35/53/58/303355358.db2.gz XGVRLFUDTMZCPH-INIZCTEOSA-N 2 2 327.432 1.834 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000297026270 303355361 /nfs/dbraw/zinc/35/53/61/303355361.db2.gz XGVRLFUDTMZCPH-INIZCTEOSA-N 2 2 327.432 1.834 20 0 EDADLP COc1nccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000297026270 303355362 /nfs/dbraw/zinc/35/53/62/303355362.db2.gz XGVRLFUDTMZCPH-INIZCTEOSA-N 2 2 327.432 1.834 20 0 EDADLP COc1nccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000297026270 303355364 /nfs/dbraw/zinc/35/53/64/303355364.db2.gz XGVRLFUDTMZCPH-INIZCTEOSA-N 2 2 327.432 1.834 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)cn21 ZINC000297069756 303359079 /nfs/dbraw/zinc/35/90/79/303359079.db2.gz CQEDYOXCLHLMMD-OAHLLOKOSA-N 2 2 345.447 1.289 20 0 EDADLP CCCN(C(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1)[C@H]1CC[N@H+](C)C1 ZINC000648995868 453462056 /nfs/dbraw/zinc/46/20/56/453462056.db2.gz HTVHPYBIAZYNAT-ULQDDVLXSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(C(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1)[C@H]1CC[N@@H+](C)C1 ZINC000648995868 453462063 /nfs/dbraw/zinc/46/20/63/453462063.db2.gz HTVHPYBIAZYNAT-ULQDDVLXSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(C(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1)[C@H]1CC[NH+](C)C1 ZINC000648995868 453462073 /nfs/dbraw/zinc/46/20/73/453462073.db2.gz HTVHPYBIAZYNAT-ULQDDVLXSA-N 2 2 325.497 1.819 20 0 EDADLP CCCN(C(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1)[C@H]1CC[NH+](C)C1 ZINC000648995868 453462079 /nfs/dbraw/zinc/46/20/79/453462079.db2.gz HTVHPYBIAZYNAT-ULQDDVLXSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000332855353 303784743 /nfs/dbraw/zinc/78/47/43/303784743.db2.gz ZGQYVPVTWAQGSX-HYVNUMGLSA-N 2 2 349.479 1.339 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377764485 447343382 /nfs/dbraw/zinc/34/33/82/447343382.db2.gz RXVYHBQCHKXSKZ-MOPGFXCFSA-N 2 2 345.487 1.593 20 0 EDADLP CCOCCNC(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377764485 447343391 /nfs/dbraw/zinc/34/33/91/447343391.db2.gz RXVYHBQCHKXSKZ-MOPGFXCFSA-N 2 2 345.487 1.593 20 0 EDADLP CCOCCNC(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377764485 447343397 /nfs/dbraw/zinc/34/33/97/447343397.db2.gz RXVYHBQCHKXSKZ-MOPGFXCFSA-N 2 2 345.487 1.593 20 0 EDADLP CCOCCNC(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377764485 447343402 /nfs/dbraw/zinc/34/34/02/447343402.db2.gz RXVYHBQCHKXSKZ-MOPGFXCFSA-N 2 2 345.487 1.593 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377764882 447343960 /nfs/dbraw/zinc/34/39/60/447343960.db2.gz RXVYHBQCHKXSKZ-RBUKOAKNSA-N 2 2 345.487 1.593 20 0 EDADLP CCOCCNC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377764882 447343963 /nfs/dbraw/zinc/34/39/63/447343963.db2.gz RXVYHBQCHKXSKZ-RBUKOAKNSA-N 2 2 345.487 1.593 20 0 EDADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377764882 447343969 /nfs/dbraw/zinc/34/39/69/447343969.db2.gz RXVYHBQCHKXSKZ-RBUKOAKNSA-N 2 2 345.487 1.593 20 0 EDADLP CCOCCNC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377764882 447343974 /nfs/dbraw/zinc/34/39/74/447343974.db2.gz RXVYHBQCHKXSKZ-RBUKOAKNSA-N 2 2 345.487 1.593 20 0 EDADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c2ccccc21 ZINC000423114782 304887188 /nfs/dbraw/zinc/88/71/88/304887188.db2.gz WISSXZUJRBMWJQ-QLFBSQMISA-N 2 2 329.366 1.984 20 0 EDADLP COC[C@]1(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CCC[NH2+]1 ZINC000423441771 304896407 /nfs/dbraw/zinc/89/64/07/304896407.db2.gz WDSPGNSFKYRBDW-QFBILLFUSA-N 2 2 333.476 1.942 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)C[C@H]1c1ccccc1 ZINC000423601599 304900957 /nfs/dbraw/zinc/90/09/57/304900957.db2.gz CCENYYUMPPNREH-JKSUJKDBSA-N 2 2 337.414 1.917 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000423813998 304909802 /nfs/dbraw/zinc/90/98/02/304909802.db2.gz GBJYGGZRXOQNRO-GXTWGEPZSA-N 2 2 339.461 1.234 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423934718 304919288 /nfs/dbraw/zinc/91/92/88/304919288.db2.gz ZPYBWYYPHFTMDV-HOCLYGCPSA-N 2 2 344.459 1.802 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428037778 305004829 /nfs/dbraw/zinc/00/48/29/305004829.db2.gz VIGHLJGNBPBJAQ-JKQORVJESA-N 2 2 331.460 1.945 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428037778 305004830 /nfs/dbraw/zinc/00/48/30/305004830.db2.gz VIGHLJGNBPBJAQ-JKQORVJESA-N 2 2 331.460 1.945 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428048231 305005538 /nfs/dbraw/zinc/00/55/38/305005538.db2.gz HUMAGTUSWGCVAB-RTBURBONSA-N 2 2 345.487 1.912 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428048231 305005539 /nfs/dbraw/zinc/00/55/39/305005539.db2.gz HUMAGTUSWGCVAB-RTBURBONSA-N 2 2 345.487 1.912 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000428058454 305006082 /nfs/dbraw/zinc/00/60/82/305006082.db2.gz YVBRNDQSHXLACV-RYQLBKOJSA-N 2 2 347.434 1.409 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000428058454 305006083 /nfs/dbraw/zinc/00/60/83/305006083.db2.gz YVBRNDQSHXLACV-RYQLBKOJSA-N 2 2 347.434 1.409 20 0 EDADLP CSC[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000429287964 305027599 /nfs/dbraw/zinc/02/75/99/305027599.db2.gz NPDUZXDJKCFTQG-HNNXBMFYSA-N 2 2 343.537 1.288 20 0 EDADLP CSC[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000429287964 305027600 /nfs/dbraw/zinc/02/76/00/305027600.db2.gz NPDUZXDJKCFTQG-HNNXBMFYSA-N 2 2 343.537 1.288 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430583331 305057195 /nfs/dbraw/zinc/05/71/95/305057195.db2.gz XVAWBKUAMJTPDZ-UONOGXRCSA-N 2 2 339.867 1.894 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430583331 305057196 /nfs/dbraw/zinc/05/71/96/305057196.db2.gz XVAWBKUAMJTPDZ-UONOGXRCSA-N 2 2 339.867 1.894 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430587665 305057311 /nfs/dbraw/zinc/05/73/11/305057311.db2.gz AAANCSIZNJAASV-NWDGAFQWSA-N 2 2 348.403 1.123 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430587665 305057312 /nfs/dbraw/zinc/05/73/12/305057312.db2.gz AAANCSIZNJAASV-NWDGAFQWSA-N 2 2 348.403 1.123 20 0 EDADLP C[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)CC(C)(C)C[NH3+] ZINC000430589705 305057620 /nfs/dbraw/zinc/05/76/20/305057620.db2.gz AZEMECSQTISXKD-UHFFFAOYSA-N 2 2 328.460 1.969 20 0 EDADLP C[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)CC(C)(C)C[NH3+] ZINC000430589705 305057621 /nfs/dbraw/zinc/05/76/21/305057621.db2.gz AZEMECSQTISXKD-UHFFFAOYSA-N 2 2 328.460 1.969 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430618405 305059302 /nfs/dbraw/zinc/05/93/02/305059302.db2.gz UBAGCWGQZBHUSJ-MSOLQXFVSA-N 2 2 344.503 1.561 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430618405 305059303 /nfs/dbraw/zinc/05/93/03/305059303.db2.gz UBAGCWGQZBHUSJ-MSOLQXFVSA-N 2 2 344.503 1.561 20 0 EDADLP C[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)C1CC[NH2+]CC1 ZINC000430622220 305059487 /nfs/dbraw/zinc/05/94/87/305059487.db2.gz FAQLYUMIQVZNRM-UHFFFAOYSA-N 2 2 333.461 1.615 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)C1CC[NH2+]CC1 ZINC000430622220 305059488 /nfs/dbraw/zinc/05/94/88/305059488.db2.gz FAQLYUMIQVZNRM-UHFFFAOYSA-N 2 2 333.461 1.615 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430638147 305060524 /nfs/dbraw/zinc/06/05/24/305060524.db2.gz CGGYHKIZRVNGKV-JKSUJKDBSA-N 2 2 346.475 1.417 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430638147 305060525 /nfs/dbraw/zinc/06/05/25/305060525.db2.gz CGGYHKIZRVNGKV-JKSUJKDBSA-N 2 2 346.475 1.417 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430653985 305061395 /nfs/dbraw/zinc/06/13/95/305061395.db2.gz ZZKIPYZDZMUXDK-CABCVRRESA-N 2 2 344.459 1.811 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430653985 305061396 /nfs/dbraw/zinc/06/13/96/305061396.db2.gz ZZKIPYZDZMUXDK-CABCVRRESA-N 2 2 344.459 1.811 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000430652540 305061476 /nfs/dbraw/zinc/06/14/76/305061476.db2.gz NGSPREJTVXJEGD-ZDUSSCGKSA-N 2 2 335.448 1.565 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000430652540 305061477 /nfs/dbraw/zinc/06/14/77/305061477.db2.gz NGSPREJTVXJEGD-ZDUSSCGKSA-N 2 2 335.448 1.565 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000430652968 305061522 /nfs/dbraw/zinc/06/15/22/305061522.db2.gz YNJOQXZRMSRXCB-HUUCEWRRSA-N 2 2 349.475 1.860 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000430652968 305061523 /nfs/dbraw/zinc/06/15/23/305061523.db2.gz YNJOQXZRMSRXCB-HUUCEWRRSA-N 2 2 349.475 1.860 20 0 EDADLP C[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)C1CC[NH2+]CC1 ZINC000430656024 305061536 /nfs/dbraw/zinc/06/15/36/305061536.db2.gz SRRVGBRSHXGFJH-UHFFFAOYSA-N 2 2 334.439 1.158 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)C1CC[NH2+]CC1 ZINC000430656024 305061537 /nfs/dbraw/zinc/06/15/37/305061537.db2.gz SRRVGBRSHXGFJH-UHFFFAOYSA-N 2 2 334.439 1.158 20 0 EDADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC([NH3+])CC1 ZINC000430665831 305061765 /nfs/dbraw/zinc/06/17/65/305061765.db2.gz MYRUAPDBZREJGL-CYBMUJFWSA-N 2 2 339.867 1.989 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000430728942 305063456 /nfs/dbraw/zinc/06/34/56/305063456.db2.gz DQLZHPGIZXVBQN-SFHVURJKSA-N 2 2 347.459 1.266 20 0 EDADLP C[N@H+](CC(=O)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1)[C@@H]1CCSC1 ZINC000430731703 305063668 /nfs/dbraw/zinc/06/36/68/305063668.db2.gz NDNCLBIEVNPRNY-LSDHHAIUSA-N 2 2 348.516 1.973 20 0 EDADLP C[N@@H+](CC(=O)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1)[C@@H]1CCSC1 ZINC000430731703 305063669 /nfs/dbraw/zinc/06/36/69/305063669.db2.gz NDNCLBIEVNPRNY-LSDHHAIUSA-N 2 2 348.516 1.973 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)C1 ZINC000430938627 305069536 /nfs/dbraw/zinc/06/95/36/305069536.db2.gz IQXWRPLZMOUPCC-ZBFHGGJFSA-N 2 2 349.475 1.292 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)C1 ZINC000430938627 305069537 /nfs/dbraw/zinc/06/95/37/305069537.db2.gz IQXWRPLZMOUPCC-ZBFHGGJFSA-N 2 2 349.475 1.292 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000430940677 305069648 /nfs/dbraw/zinc/06/96/48/305069648.db2.gz QJINMLXHZLGJMQ-INIZCTEOSA-N 2 2 331.460 1.132 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000430940677 305069649 /nfs/dbraw/zinc/06/96/49/305069649.db2.gz QJINMLXHZLGJMQ-INIZCTEOSA-N 2 2 331.460 1.132 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000430950853 305070308 /nfs/dbraw/zinc/07/03/08/305070308.db2.gz JHFPYJUZMQNDPQ-AWEZNQCLSA-N 2 2 341.402 1.488 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000430950853 305070309 /nfs/dbraw/zinc/07/03/09/305070309.db2.gz JHFPYJUZMQNDPQ-AWEZNQCLSA-N 2 2 341.402 1.488 20 0 EDADLP CC(C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000430956362 305070632 /nfs/dbraw/zinc/07/06/32/305070632.db2.gz KLCBMEYHJXFPDP-IFXJQAMLSA-N 2 2 347.459 1.552 20 0 EDADLP CC(C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1)c1ccc2c(c1)OCCO2 ZINC000430956362 305070633 /nfs/dbraw/zinc/07/06/33/305070633.db2.gz KLCBMEYHJXFPDP-IFXJQAMLSA-N 2 2 347.459 1.552 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430961670 305070983 /nfs/dbraw/zinc/07/09/83/305070983.db2.gz FJYDMDPFRPBQQG-ZFWWWQNUSA-N 2 2 335.448 1.032 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430961670 305070984 /nfs/dbraw/zinc/07/09/84/305070984.db2.gz FJYDMDPFRPBQQG-ZFWWWQNUSA-N 2 2 335.448 1.032 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000430973073 305071837 /nfs/dbraw/zinc/07/18/37/305071837.db2.gz VMXZYSRRCGDIAA-WFASDCNBSA-N 2 2 325.840 1.504 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000430973073 305071838 /nfs/dbraw/zinc/07/18/38/305071838.db2.gz VMXZYSRRCGDIAA-WFASDCNBSA-N 2 2 325.840 1.504 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000431014794 305072883 /nfs/dbraw/zinc/07/28/83/305072883.db2.gz PGUBWGVXQNBEFK-SFHVURJKSA-N 2 2 348.491 1.229 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000431014794 305072884 /nfs/dbraw/zinc/07/28/84/305072884.db2.gz PGUBWGVXQNBEFK-SFHVURJKSA-N 2 2 348.491 1.229 20 0 EDADLP CC(C)[NH+](CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC000433968570 305116068 /nfs/dbraw/zinc/11/60/68/305116068.db2.gz SBYIQTLXGKROKN-INIZCTEOSA-N 2 2 328.501 1.467 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000434384103 305121315 /nfs/dbraw/zinc/12/13/15/305121315.db2.gz MYQANMJHMBVSHG-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@@H]([NH3+])CCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000434679441 305127520 /nfs/dbraw/zinc/12/75/20/305127520.db2.gz OWHAXEOTGBPGMC-SECBINFHSA-N 2 2 325.210 1.840 20 0 EDADLP CN(CC1CC1)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434727728 305129778 /nfs/dbraw/zinc/12/97/78/305129778.db2.gz GPWLWHWZIBYYIQ-QFBILLFUSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434727728 305129779 /nfs/dbraw/zinc/12/97/79/305129779.db2.gz GPWLWHWZIBYYIQ-QFBILLFUSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000434727728 305129780 /nfs/dbraw/zinc/12/97/80/305129780.db2.gz GPWLWHWZIBYYIQ-QFBILLFUSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000434727728 305129781 /nfs/dbraw/zinc/12/97/81/305129781.db2.gz GPWLWHWZIBYYIQ-QFBILLFUSA-N 2 2 347.507 1.603 20 0 EDADLP COc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000435392535 305139758 /nfs/dbraw/zinc/13/97/58/305139758.db2.gz WZFDPMMWBOVESO-CQSZACIVSA-N 2 2 335.448 1.475 20 0 EDADLP COc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000435392535 305139759 /nfs/dbraw/zinc/13/97/59/305139759.db2.gz WZFDPMMWBOVESO-CQSZACIVSA-N 2 2 335.448 1.475 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435624669 305143901 /nfs/dbraw/zinc/14/39/01/305143901.db2.gz YHLMPJDSNVJQGE-SFHVURJKSA-N 2 2 333.476 1.913 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435624669 305143902 /nfs/dbraw/zinc/14/39/02/305143902.db2.gz YHLMPJDSNVJQGE-SFHVURJKSA-N 2 2 333.476 1.913 20 0 EDADLP CCc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436053621 305151423 /nfs/dbraw/zinc/15/14/23/305151423.db2.gz OLXXAUNYNXUCHX-QGZVFWFLSA-N 2 2 346.475 1.507 20 0 EDADLP CCc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436053621 305151424 /nfs/dbraw/zinc/15/14/24/305151424.db2.gz OLXXAUNYNXUCHX-QGZVFWFLSA-N 2 2 346.475 1.507 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000438850464 305189985 /nfs/dbraw/zinc/18/99/85/305189985.db2.gz HRKYAYZNZIKOAI-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000438850464 305189986 /nfs/dbraw/zinc/18/99/86/305189986.db2.gz HRKYAYZNZIKOAI-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000438850464 305189987 /nfs/dbraw/zinc/18/99/87/305189987.db2.gz HRKYAYZNZIKOAI-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000438850464 305189988 /nfs/dbraw/zinc/18/99/88/305189988.db2.gz HRKYAYZNZIKOAI-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@@H+]1CCN(CCNc2cc(N3CCCCC3)[nH+]cn2)CC1(C)C ZINC000440661185 305210669 /nfs/dbraw/zinc/21/06/69/305210669.db2.gz BRYBOUHLXUCHQV-UHFFFAOYSA-N 2 2 332.496 1.905 20 0 EDADLP C[N@H+]1CCN(CCNc2cc(N3CCCCC3)[nH+]cn2)CC1(C)C ZINC000440661185 305210670 /nfs/dbraw/zinc/21/06/70/305210670.db2.gz BRYBOUHLXUCHQV-UHFFFAOYSA-N 2 2 332.496 1.905 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@H]1C ZINC000441088081 305217024 /nfs/dbraw/zinc/21/70/24/305217024.db2.gz INRVKRAUDGPGTQ-ZIAGYGMSSA-N 2 2 343.431 1.522 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@H]1C ZINC000441088081 305217025 /nfs/dbraw/zinc/21/70/25/305217025.db2.gz INRVKRAUDGPGTQ-ZIAGYGMSSA-N 2 2 343.431 1.522 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000441279063 305220161 /nfs/dbraw/zinc/22/01/61/305220161.db2.gz OHRLVIHYHFQHCI-QGZVFWFLSA-N 2 2 339.443 1.738 20 0 EDADLP CO[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000441370932 305221546 /nfs/dbraw/zinc/22/15/46/305221546.db2.gz JHOUVRZKLKZABW-IAGOWNOFSA-N 2 2 346.475 1.620 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)C1 ZINC000441370932 305221547 /nfs/dbraw/zinc/22/15/47/305221547.db2.gz JHOUVRZKLKZABW-IAGOWNOFSA-N 2 2 346.475 1.620 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000446285327 305262466 /nfs/dbraw/zinc/26/24/66/305262466.db2.gz VBCVVKOTURHDQP-UYAYXHRUSA-N 2 2 332.448 1.648 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447515190 305281037 /nfs/dbraw/zinc/28/10/37/305281037.db2.gz JQMQHHKKCGPUAS-DOTOQJQBSA-N 2 2 329.448 1.841 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)C1 ZINC000447515190 305281038 /nfs/dbraw/zinc/28/10/38/305281038.db2.gz JQMQHHKKCGPUAS-DOTOQJQBSA-N 2 2 329.448 1.841 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449323980 305311469 /nfs/dbraw/zinc/31/14/69/305311469.db2.gz CGYHBRBKAVBCHU-FQEVSTJZSA-N 2 2 338.455 1.809 20 0 EDADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@H](F)C1 ZINC000451189464 305333699 /nfs/dbraw/zinc/33/36/99/305333699.db2.gz FJZYAKDYXNGAOL-CRAIPNDOSA-N 2 2 349.450 1.567 20 0 EDADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@H](F)C1 ZINC000451189464 305333700 /nfs/dbraw/zinc/33/37/00/305333700.db2.gz FJZYAKDYXNGAOL-CRAIPNDOSA-N 2 2 349.450 1.567 20 0 EDADLP CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000451490512 305349193 /nfs/dbraw/zinc/34/91/93/305349193.db2.gz IDFQWMCXTSQWMF-HRCADAONSA-N 2 2 346.475 1.522 20 0 EDADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C ZINC000451558316 305353572 /nfs/dbraw/zinc/35/35/72/305353572.db2.gz FZGAMLUYAFBAAI-NVXWUHKLSA-N 2 2 335.448 1.281 20 0 EDADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@H]1C ZINC000451558316 305353573 /nfs/dbraw/zinc/35/35/73/305353573.db2.gz FZGAMLUYAFBAAI-NVXWUHKLSA-N 2 2 335.448 1.281 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nccc(OC)c2OC)CC1 ZINC000451996684 305377160 /nfs/dbraw/zinc/37/71/60/305377160.db2.gz YDROKMQTCKWRSS-UHFFFAOYSA-N 2 2 336.480 1.605 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414906593 447351595 /nfs/dbraw/zinc/35/15/95/447351595.db2.gz ACZASJHWTXYPLL-HEHGZKQESA-N 2 2 333.432 1.778 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000377788359 447356959 /nfs/dbraw/zinc/35/69/59/447356959.db2.gz XFZUGOYLWXPMJC-INIZCTEOSA-N 2 2 332.448 1.407 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000377788359 447356962 /nfs/dbraw/zinc/35/69/62/447356962.db2.gz XFZUGOYLWXPMJC-INIZCTEOSA-N 2 2 332.448 1.407 20 0 EDADLP CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000496436581 305668196 /nfs/dbraw/zinc/66/81/96/305668196.db2.gz YSRIHHUUYDFEPM-CYBMUJFWSA-N 2 2 337.468 1.833 20 0 EDADLP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000496440688 305668851 /nfs/dbraw/zinc/66/88/51/305668851.db2.gz CSTWNDYKPBBGFX-VGWMRTNUSA-N 2 2 327.469 1.600 20 0 EDADLP Cc1cccn2cc(CC(=O)NCC3([NH+](C)C)CCOCC3)[nH+]c12 ZINC000522258633 305802396 /nfs/dbraw/zinc/80/23/96/305802396.db2.gz YVWLQPLFBVDJCK-UHFFFAOYSA-N 2 2 330.432 1.412 20 0 EDADLP CC[C@@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)c1[nH]cc[nH+]1 ZINC000527485524 305847938 /nfs/dbraw/zinc/84/79/38/305847938.db2.gz INWVPJUKRGMIAE-LLVKDONJSA-N 2 2 327.392 1.639 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2[nH+]ccn21 ZINC000529329249 305909487 /nfs/dbraw/zinc/90/94/87/305909487.db2.gz GRNWSYYDUCOTHH-FVQBIDKESA-N 2 2 347.463 1.689 20 0 EDADLP Cc1cc([C@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)on1 ZINC000534338756 306006234 /nfs/dbraw/zinc/00/62/34/306006234.db2.gz KEDRPYHIFSZIII-MRXNPFEDSA-N 2 2 342.447 1.862 20 0 EDADLP Cc1cc([C@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)on1 ZINC000534338756 306006235 /nfs/dbraw/zinc/00/62/35/306006235.db2.gz KEDRPYHIFSZIII-MRXNPFEDSA-N 2 2 342.447 1.862 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000534580131 306008272 /nfs/dbraw/zinc/00/82/72/306008272.db2.gz SORGOFLHLAFFBM-GDBMZVCRSA-N 2 2 333.407 1.926 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000534580131 306008273 /nfs/dbraw/zinc/00/82/73/306008273.db2.gz SORGOFLHLAFFBM-GDBMZVCRSA-N 2 2 333.407 1.926 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000535315170 306012880 /nfs/dbraw/zinc/01/28/80/306012880.db2.gz XGPCIQRESKWWOR-CYBMUJFWSA-N 2 2 344.415 1.865 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000535315170 306012881 /nfs/dbraw/zinc/01/28/81/306012881.db2.gz XGPCIQRESKWWOR-CYBMUJFWSA-N 2 2 344.415 1.865 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)c(C)c[nH+]1 ZINC000536618461 306024079 /nfs/dbraw/zinc/02/40/79/306024079.db2.gz LJSGBUFBBWDXGG-UHFFFAOYSA-N 2 2 332.448 1.696 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000537328387 306026664 /nfs/dbraw/zinc/02/66/64/306026664.db2.gz CAQJBRXOHZKHDK-HNNXBMFYSA-N 2 2 328.420 1.507 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000540925632 306041574 /nfs/dbraw/zinc/04/15/74/306041574.db2.gz COODANFTMOAVQL-UHFFFAOYSA-N 2 2 348.447 1.005 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000540925632 306041575 /nfs/dbraw/zinc/04/15/75/306041575.db2.gz COODANFTMOAVQL-UHFFFAOYSA-N 2 2 348.447 1.005 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547654653 306106757 /nfs/dbraw/zinc/10/67/57/306106757.db2.gz VSPXYZQHZXJWQZ-GXTWGEPZSA-N 2 2 334.445 1.457 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000547671656 306107524 /nfs/dbraw/zinc/10/75/24/306107524.db2.gz XHGLAPBQYKVGLD-OAHLLOKOSA-N 2 2 343.431 1.960 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547695801 306108861 /nfs/dbraw/zinc/10/88/61/306108861.db2.gz YNSUJYQQVCWDIY-AWEZNQCLSA-N 2 2 347.488 1.708 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547695801 306108862 /nfs/dbraw/zinc/10/88/62/306108862.db2.gz YNSUJYQQVCWDIY-AWEZNQCLSA-N 2 2 347.488 1.708 20 0 EDADLP CN1CCN(c2cc(NCC3([NH+](C)C)CCCCC3)nc[nH+]2)CC1=O ZINC000548480035 306129225 /nfs/dbraw/zinc/12/92/25/306129225.db2.gz HWTAAWODHZFXJS-UHFFFAOYSA-N 2 2 346.479 1.431 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000548901663 306141321 /nfs/dbraw/zinc/14/13/21/306141321.db2.gz IQANBAVHZCERMF-QGZVFWFLSA-N 2 2 331.460 1.551 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000548901663 306141322 /nfs/dbraw/zinc/14/13/22/306141322.db2.gz IQANBAVHZCERMF-QGZVFWFLSA-N 2 2 331.460 1.551 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000551196689 306156497 /nfs/dbraw/zinc/15/64/97/306156497.db2.gz FXUYOWGBGSCGRF-WFASDCNBSA-N 2 2 346.456 1.582 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000551196689 306156498 /nfs/dbraw/zinc/15/64/98/306156498.db2.gz FXUYOWGBGSCGRF-WFASDCNBSA-N 2 2 346.456 1.582 20 0 EDADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000553951465 306188281 /nfs/dbraw/zinc/18/82/81/306188281.db2.gz GJRSLWWGUNXGJA-LJQANCHMSA-N 2 2 338.455 1.625 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2-n2cc[nH+]c2)C[C@H](C)O1 ZINC000555581122 306203265 /nfs/dbraw/zinc/20/32/65/306203265.db2.gz RTONSZRIBMOOBE-XHSDSOJGSA-N 2 2 331.416 1.721 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2-n2cc[nH+]c2)C[C@H](C)O1 ZINC000555581122 306203266 /nfs/dbraw/zinc/20/32/66/306203266.db2.gz RTONSZRIBMOOBE-XHSDSOJGSA-N 2 2 331.416 1.721 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)C[C@@H]21 ZINC000556516848 306211278 /nfs/dbraw/zinc/21/12/78/306211278.db2.gz KNKCGMIJCNAPIM-RISCZKNCSA-N 2 2 333.823 1.833 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)C[C@@H]21 ZINC000556516848 306211279 /nfs/dbraw/zinc/21/12/79/306211279.db2.gz KNKCGMIJCNAPIM-RISCZKNCSA-N 2 2 333.823 1.833 20 0 EDADLP CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1C(C)C ZINC000556980216 306222541 /nfs/dbraw/zinc/22/25/41/306222541.db2.gz QPYNXNHZOQZTPP-CQSZACIVSA-N 2 2 336.484 1.769 20 0 EDADLP CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1C(C)C ZINC000556980216 306222542 /nfs/dbraw/zinc/22/25/42/306222542.db2.gz QPYNXNHZOQZTPP-CQSZACIVSA-N 2 2 336.484 1.769 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000557134180 306224737 /nfs/dbraw/zinc/22/47/37/306224737.db2.gz LNHVCVQPOXFGIM-UHFFFAOYSA-N 2 2 327.432 1.954 20 0 EDADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000414951202 447371081 /nfs/dbraw/zinc/37/10/81/447371081.db2.gz HFHPEVPLWKJMTK-SNVBAGLBSA-N 2 2 329.828 1.300 20 0 EDADLP C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000414955479 447372426 /nfs/dbraw/zinc/37/24/26/447372426.db2.gz NDWPUYSVPRRSBY-NVXWUHKLSA-N 2 2 346.475 1.967 20 0 EDADLP C[C@H]1[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC(=O)N1Cc1ccccc1 ZINC000419729957 447378349 /nfs/dbraw/zinc/37/83/49/447378349.db2.gz PEGDTGNNAMNGKR-YOEHRIQHSA-N 2 2 341.459 1.765 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccoc3)CC2)CC1 ZINC000422159826 447378918 /nfs/dbraw/zinc/37/89/18/447378918.db2.gz OHKKBLGLKVQDMH-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccoc3)CC2)CC1 ZINC000422159826 447378922 /nfs/dbraw/zinc/37/89/22/447378922.db2.gz OHKKBLGLKVQDMH-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP COc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000657092160 453675397 /nfs/dbraw/zinc/67/53/97/453675397.db2.gz DZHWVKPSSIWGKZ-UHFFFAOYSA-N 2 2 343.493 1.165 20 0 EDADLP COc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000657092160 453675394 /nfs/dbraw/zinc/67/53/94/453675394.db2.gz DZHWVKPSSIWGKZ-UHFFFAOYSA-N 2 2 343.493 1.165 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@@H+]1CCOC ZINC000422206450 447403065 /nfs/dbraw/zinc/40/30/65/447403065.db2.gz LDUGAFGYNLIVGX-QGZVFWFLSA-N 2 2 334.464 1.951 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[N@H+]1CCOC ZINC000422206450 447403070 /nfs/dbraw/zinc/40/30/70/447403070.db2.gz LDUGAFGYNLIVGX-QGZVFWFLSA-N 2 2 334.464 1.951 20 0 EDADLP COC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000044857952 440892236 /nfs/dbraw/zinc/89/22/36/440892236.db2.gz SUARWYAIHOKLML-UHFFFAOYSA-N 2 2 332.448 1.231 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCOc2ccccc2C)CC1 ZINC000070870170 441124900 /nfs/dbraw/zinc/12/49/00/441124900.db2.gz SUNDSXSSKCPDEO-QGZVFWFLSA-N 2 2 333.476 1.858 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOc2ccccc2C)CC1 ZINC000070870170 441124903 /nfs/dbraw/zinc/12/49/03/441124903.db2.gz SUNDSXSSKCPDEO-QGZVFWFLSA-N 2 2 333.476 1.858 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)c[nH+]1 ZINC000047855285 441230490 /nfs/dbraw/zinc/23/04/90/441230490.db2.gz VVRSRLORQLAMHX-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000105075422 441231435 /nfs/dbraw/zinc/23/14/35/441231435.db2.gz WDPOOQDNCHBTBK-HZPDHXFCSA-N 2 2 328.501 1.514 20 0 EDADLP C[N@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C1CC1 ZINC000058858726 441215780 /nfs/dbraw/zinc/21/57/80/441215780.db2.gz JTRUSMCXDUELAV-QGZVFWFLSA-N 2 2 333.501 1.987 20 0 EDADLP C[N@@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C1CC1 ZINC000058858726 441215783 /nfs/dbraw/zinc/21/57/83/441215783.db2.gz JTRUSMCXDUELAV-QGZVFWFLSA-N 2 2 333.501 1.987 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000081256453 441245316 /nfs/dbraw/zinc/24/53/16/441245316.db2.gz WMVXWNGUDHNJQA-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000081256453 441245319 /nfs/dbraw/zinc/24/53/19/441245319.db2.gz WMVXWNGUDHNJQA-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000081256453 441245322 /nfs/dbraw/zinc/24/53/22/441245322.db2.gz WMVXWNGUDHNJQA-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000081256453 441245326 /nfs/dbraw/zinc/24/53/26/441245326.db2.gz WMVXWNGUDHNJQA-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000105272691 441247050 /nfs/dbraw/zinc/24/70/50/441247050.db2.gz HOFOPUIUEBZEKJ-BBWFWOEESA-N 2 2 340.512 1.515 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000105272691 441247054 /nfs/dbraw/zinc/24/70/54/441247054.db2.gz HOFOPUIUEBZEKJ-BBWFWOEESA-N 2 2 340.512 1.515 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000072794585 441258740 /nfs/dbraw/zinc/25/87/40/441258740.db2.gz KCAAHEKRJFQBBB-AIADIJKESA-N 2 2 343.471 1.565 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000072794585 441258746 /nfs/dbraw/zinc/25/87/46/441258746.db2.gz KCAAHEKRJFQBBB-AIADIJKESA-N 2 2 343.471 1.565 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000072790457 441259258 /nfs/dbraw/zinc/25/92/58/441259258.db2.gz NEQRZEFAXPZBSF-GOSISDBHSA-N 2 2 330.476 1.139 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000072790457 441259261 /nfs/dbraw/zinc/25/92/61/441259261.db2.gz NEQRZEFAXPZBSF-GOSISDBHSA-N 2 2 330.476 1.139 20 0 EDADLP CC[NH+](CC)CCCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000073640113 441337171 /nfs/dbraw/zinc/33/71/71/441337171.db2.gz UVLINLNCGSYQOP-UHFFFAOYSA-N 2 2 347.507 1.442 20 0 EDADLP CC(=O)NC1CC[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000050989819 441393909 /nfs/dbraw/zinc/39/39/09/441393909.db2.gz HDAZJTCKJNDEBZ-KRWDZBQOSA-N 2 2 344.459 1.615 20 0 EDADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCS1 ZINC000083416339 441359001 /nfs/dbraw/zinc/35/90/01/441359001.db2.gz ROMDDBFBOCUYOT-UHFFFAOYSA-N 2 2 337.489 1.751 20 0 EDADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCS1 ZINC000083416339 441359004 /nfs/dbraw/zinc/35/90/04/441359004.db2.gz ROMDDBFBOCUYOT-UHFFFAOYSA-N 2 2 337.489 1.751 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073846104 441360731 /nfs/dbraw/zinc/36/07/31/441360731.db2.gz CLVSXYHGCVIHCF-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073846104 441360734 /nfs/dbraw/zinc/36/07/34/441360734.db2.gz CLVSXYHGCVIHCF-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073846104 441360736 /nfs/dbraw/zinc/36/07/36/441360736.db2.gz CLVSXYHGCVIHCF-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000073846104 441360738 /nfs/dbraw/zinc/36/07/38/441360738.db2.gz CLVSXYHGCVIHCF-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCSC(C)(C)C1 ZINC000083418862 441361766 /nfs/dbraw/zinc/36/17/66/441361766.db2.gz JUBUUAXYWNOBNE-OAHLLOKOSA-N 2 2 348.516 1.946 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCSC(C)(C)C1 ZINC000083418862 441361769 /nfs/dbraw/zinc/36/17/69/441361769.db2.gz JUBUUAXYWNOBNE-OAHLLOKOSA-N 2 2 348.516 1.946 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000107281175 441406306 /nfs/dbraw/zinc/40/63/06/441406306.db2.gz PZVAVLZUVFZUFY-KRWDZBQOSA-N 2 2 333.480 1.292 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000107281175 441406311 /nfs/dbraw/zinc/40/63/11/441406311.db2.gz PZVAVLZUVFZUFY-KRWDZBQOSA-N 2 2 333.480 1.292 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000074255302 441412766 /nfs/dbraw/zinc/41/27/66/441412766.db2.gz CUYFMYLAMUFZOU-MRXNPFEDSA-N 2 2 342.443 1.772 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074851706 441472650 /nfs/dbraw/zinc/47/26/50/441472650.db2.gz WNUQCMJICFKWIY-NVXWUHKLSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074851706 441472652 /nfs/dbraw/zinc/47/26/52/441472652.db2.gz WNUQCMJICFKWIY-NVXWUHKLSA-N 2 2 338.496 1.080 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052870754 441483454 /nfs/dbraw/zinc/48/34/54/441483454.db2.gz GEUKFBOWRQUKHJ-SFHVURJKSA-N 2 2 331.460 1.178 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1CO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052870754 441483457 /nfs/dbraw/zinc/48/34/57/441483457.db2.gz GEUKFBOWRQUKHJ-SFHVURJKSA-N 2 2 331.460 1.178 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@H]2O)([NH+]2CCCCC2)CC1 ZINC000074767333 441465339 /nfs/dbraw/zinc/46/53/39/441465339.db2.gz PBJJZFKTURWAQF-HZPDHXFCSA-N 2 2 338.496 1.149 20 0 EDADLP Cc1cc[nH+]c(NNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000088423699 441507775 /nfs/dbraw/zinc/50/77/75/441507775.db2.gz SIOCPXVYBCOQII-UHFFFAOYSA-N 2 2 328.420 1.829 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000066178063 441510061 /nfs/dbraw/zinc/51/00/61/441510061.db2.gz MYSUNVALPKBKMR-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000066178063 441510065 /nfs/dbraw/zinc/51/00/65/441510065.db2.gz MYSUNVALPKBKMR-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000076001989 441576883 /nfs/dbraw/zinc/57/68/83/441576883.db2.gz VSNOMFCDKWEUKA-HNNXBMFYSA-N 2 2 329.444 1.946 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000076001989 441576887 /nfs/dbraw/zinc/57/68/87/441576887.db2.gz VSNOMFCDKWEUKA-HNNXBMFYSA-N 2 2 329.444 1.946 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000054509558 441582382 /nfs/dbraw/zinc/58/23/82/441582382.db2.gz ZYSZXUCKYUHXIP-OAHLLOKOSA-N 2 2 329.448 1.908 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000054509558 441582386 /nfs/dbraw/zinc/58/23/86/441582386.db2.gz ZYSZXUCKYUHXIP-OAHLLOKOSA-N 2 2 329.448 1.908 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000114198266 441641049 /nfs/dbraw/zinc/64/10/49/441641049.db2.gz TXUDGQOJJCLXPU-OAHLLOKOSA-N 2 2 332.448 1.835 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000114198266 441641054 /nfs/dbraw/zinc/64/10/54/441641054.db2.gz TXUDGQOJJCLXPU-OAHLLOKOSA-N 2 2 332.448 1.835 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)cc2OC)CC1 ZINC000067471805 441643801 /nfs/dbraw/zinc/64/38/01/441643801.db2.gz ZCRFWENRVVENDP-OAHLLOKOSA-N 2 2 349.475 1.688 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)cc2OC)CC1 ZINC000067471805 441643805 /nfs/dbraw/zinc/64/38/05/441643805.db2.gz ZCRFWENRVVENDP-OAHLLOKOSA-N 2 2 349.475 1.688 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113514051 441613183 /nfs/dbraw/zinc/61/31/83/441613183.db2.gz UJDCGNZHSSJHKF-INIZCTEOSA-N 2 2 349.475 1.464 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113514051 441613187 /nfs/dbraw/zinc/61/31/87/441613187.db2.gz UJDCGNZHSSJHKF-INIZCTEOSA-N 2 2 349.475 1.464 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Cn2cc[nH+]c2)cc1 ZINC000076830507 441687851 /nfs/dbraw/zinc/68/78/51/441687851.db2.gz FDZAATCUTNBLEG-QGZVFWFLSA-N 2 2 328.416 1.381 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000158502560 441741699 /nfs/dbraw/zinc/74/16/99/441741699.db2.gz AWVWCYFABKFQDB-QAPCUYQASA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000158502560 441741719 /nfs/dbraw/zinc/74/17/19/441741719.db2.gz AWVWCYFABKFQDB-QAPCUYQASA-N 3 2 334.508 1.146 20 0 EDADLP O=C(CN1CC[NH+](Cc2ccco2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000042540082 441747933 /nfs/dbraw/zinc/74/79/33/441747933.db2.gz YFUGPSSWHKSJHM-UHFFFAOYSA-N 2 2 346.475 1.140 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000115546835 441754194 /nfs/dbraw/zinc/75/41/94/441754194.db2.gz BPBZEDHMXGDKDI-UHFFFAOYSA-N 2 2 345.443 1.061 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000115546835 441754199 /nfs/dbraw/zinc/75/41/99/441754199.db2.gz BPBZEDHMXGDKDI-UHFFFAOYSA-N 2 2 345.443 1.061 20 0 EDADLP CN(Cc1cccn1C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000158868874 441768250 /nfs/dbraw/zinc/76/82/50/441768250.db2.gz IJQPMOWHHRNHMT-UHFFFAOYSA-N 2 2 347.507 1.725 20 0 EDADLP CCCC[C@@H](C(=O)OC)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000116399869 441818955 /nfs/dbraw/zinc/81/89/55/441818955.db2.gz YBTJNNQYZDHVPV-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[C@@H](C(=O)OC)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000116399869 441818958 /nfs/dbraw/zinc/81/89/58/441818958.db2.gz YBTJNNQYZDHVPV-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)CC1 ZINC000092072983 441772217 /nfs/dbraw/zinc/77/22/17/441772217.db2.gz ZWTVSCAYBXAVLH-INIZCTEOSA-N 3 2 341.463 1.331 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)CC1 ZINC000092072983 441772222 /nfs/dbraw/zinc/77/22/22/441772222.db2.gz ZWTVSCAYBXAVLH-INIZCTEOSA-N 3 2 341.463 1.331 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000077538435 441800726 /nfs/dbraw/zinc/80/07/26/441800726.db2.gz YGHOFAVLCLQVFZ-MRXNPFEDSA-N 2 2 327.432 1.799 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000077538435 441800731 /nfs/dbraw/zinc/80/07/31/441800731.db2.gz YGHOFAVLCLQVFZ-MRXNPFEDSA-N 2 2 327.432 1.799 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(n4cccn4)CC3)cn2)CC1 ZINC000092618060 441813158 /nfs/dbraw/zinc/81/31/58/441813158.db2.gz OOGWSGBGXPJGSS-UHFFFAOYSA-N 2 2 341.463 1.262 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139875518 441829052 /nfs/dbraw/zinc/82/90/52/441829052.db2.gz HWDHCYJYQQZCFU-WBVHZDCISA-N 2 2 345.443 1.368 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139875518 441829057 /nfs/dbraw/zinc/82/90/57/441829057.db2.gz HWDHCYJYQQZCFU-WBVHZDCISA-N 2 2 345.443 1.368 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139875518 441829064 /nfs/dbraw/zinc/82/90/64/441829064.db2.gz HWDHCYJYQQZCFU-WBVHZDCISA-N 2 2 345.443 1.368 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000139875518 441829070 /nfs/dbraw/zinc/82/90/70/441829070.db2.gz HWDHCYJYQQZCFU-WBVHZDCISA-N 2 2 345.443 1.368 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000092886988 441835763 /nfs/dbraw/zinc/83/57/63/441835763.db2.gz JQPPSNOUNRZKSQ-MRXNPFEDSA-N 2 2 343.479 1.655 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118843898 441907343 /nfs/dbraw/zinc/90/73/43/441907343.db2.gz KOCYIPKYEBWWEL-QGZVFWFLSA-N 2 2 333.476 1.764 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118843898 441907346 /nfs/dbraw/zinc/90/73/46/441907346.db2.gz KOCYIPKYEBWWEL-QGZVFWFLSA-N 2 2 333.476 1.764 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118843898 441907349 /nfs/dbraw/zinc/90/73/49/441907349.db2.gz KOCYIPKYEBWWEL-QGZVFWFLSA-N 2 2 333.476 1.764 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000118843898 441907352 /nfs/dbraw/zinc/90/73/52/441907352.db2.gz KOCYIPKYEBWWEL-QGZVFWFLSA-N 2 2 333.476 1.764 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118842782 441907392 /nfs/dbraw/zinc/90/73/92/441907392.db2.gz JHVCAZABMFHSQA-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118842782 441907394 /nfs/dbraw/zinc/90/73/94/441907394.db2.gz JHVCAZABMFHSQA-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118842782 441907397 /nfs/dbraw/zinc/90/73/97/441907397.db2.gz JHVCAZABMFHSQA-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000118842782 441907401 /nfs/dbraw/zinc/90/74/01/441907401.db2.gz JHVCAZABMFHSQA-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124444935 441927844 /nfs/dbraw/zinc/92/78/44/441927844.db2.gz ZMGIGIQQMXSPLF-GFCCVEGCSA-N 2 2 342.403 1.402 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124444935 441927849 /nfs/dbraw/zinc/92/78/49/441927849.db2.gz ZMGIGIQQMXSPLF-GFCCVEGCSA-N 2 2 342.403 1.402 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)on1 ZINC000174881229 441978067 /nfs/dbraw/zinc/97/80/67/441978067.db2.gz DNBZJHLQAQCCMF-CVEARBPZSA-N 2 2 349.479 1.412 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)on1 ZINC000174881229 441978070 /nfs/dbraw/zinc/97/80/70/441978070.db2.gz DNBZJHLQAQCCMF-CVEARBPZSA-N 2 2 349.479 1.412 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785343 441951260 /nfs/dbraw/zinc/95/12/60/441951260.db2.gz OMKWFIZYOXIFCK-MRXNPFEDSA-N 2 2 326.444 1.814 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785343 441951268 /nfs/dbraw/zinc/95/12/68/441951268.db2.gz OMKWFIZYOXIFCK-MRXNPFEDSA-N 2 2 326.444 1.814 20 0 EDADLP CC(C)CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000119792598 441952993 /nfs/dbraw/zinc/95/29/93/441952993.db2.gz SIJYWYPVYYRYDL-SFHVURJKSA-N 2 2 349.475 1.671 20 0 EDADLP CC(C)CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000119792598 441952999 /nfs/dbraw/zinc/95/29/99/441952999.db2.gz SIJYWYPVYYRYDL-SFHVURJKSA-N 2 2 349.475 1.671 20 0 EDADLP COc1ccc(Br)cc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000125159507 441990981 /nfs/dbraw/zinc/99/09/81/441990981.db2.gz FOTCUALGAQTTBE-CYBMUJFWSA-N 2 2 328.254 1.532 20 0 EDADLP COc1ccc(Br)cc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000125159507 441990984 /nfs/dbraw/zinc/99/09/84/441990984.db2.gz FOTCUALGAQTTBE-CYBMUJFWSA-N 2 2 328.254 1.532 20 0 EDADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC ZINC000161895233 442041602 /nfs/dbraw/zinc/04/16/02/442041602.db2.gz XWLJYQGOSAPTHH-UHFFFAOYSA-N 2 2 330.432 1.920 20 0 EDADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC ZINC000161895233 442041605 /nfs/dbraw/zinc/04/16/05/442041605.db2.gz XWLJYQGOSAPTHH-UHFFFAOYSA-N 2 2 330.432 1.920 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000162432032 442093066 /nfs/dbraw/zinc/09/30/66/442093066.db2.gz JJBCKPBWWICNPC-QGZVFWFLSA-N 2 2 335.423 1.443 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000162432032 442093070 /nfs/dbraw/zinc/09/30/70/442093070.db2.gz JJBCKPBWWICNPC-QGZVFWFLSA-N 2 2 335.423 1.443 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000175524844 442080585 /nfs/dbraw/zinc/08/05/85/442080585.db2.gz IUAQAYVFQYYNOF-UHFFFAOYSA-N 3 2 341.544 1.430 20 0 EDADLP COC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000162298206 442081222 /nfs/dbraw/zinc/08/12/22/442081222.db2.gz JTHHIFLVWHKTCC-DLBZAZTESA-N 2 2 345.443 1.976 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175720708 442112107 /nfs/dbraw/zinc/11/21/07/442112107.db2.gz RMADCCBAKUMJEX-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175720708 442112108 /nfs/dbraw/zinc/11/21/08/442112108.db2.gz RMADCCBAKUMJEX-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000175770813 442119084 /nfs/dbraw/zinc/11/90/84/442119084.db2.gz QIPKCBQAQQPFRR-MRXNPFEDSA-N 2 2 349.475 1.840 20 0 EDADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000175770813 442119092 /nfs/dbraw/zinc/11/90/92/442119092.db2.gz QIPKCBQAQQPFRR-MRXNPFEDSA-N 2 2 349.475 1.840 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000163183435 442149386 /nfs/dbraw/zinc/14/93/86/442149386.db2.gz OYCYWCRAWGVOKS-UHFFFAOYSA-N 2 2 341.415 1.365 20 0 EDADLP CC[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000163183435 442149389 /nfs/dbraw/zinc/14/93/89/442149389.db2.gz OYCYWCRAWGVOKS-UHFFFAOYSA-N 2 2 341.415 1.365 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)C(C)(C)C[NH+](C)C ZINC000175814334 442127883 /nfs/dbraw/zinc/12/78/83/442127883.db2.gz LCCOHNUSLXMWTM-MRXNPFEDSA-N 2 2 347.507 1.296 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126697133 442136219 /nfs/dbraw/zinc/13/62/19/442136219.db2.gz PIXGWKIDTCKYMO-XLIONFOSSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126697133 442136224 /nfs/dbraw/zinc/13/62/24/442136224.db2.gz PIXGWKIDTCKYMO-XLIONFOSSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126697133 442136228 /nfs/dbraw/zinc/13/62/28/442136228.db2.gz PIXGWKIDTCKYMO-XLIONFOSSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126697133 442136234 /nfs/dbraw/zinc/13/62/34/442136234.db2.gz PIXGWKIDTCKYMO-XLIONFOSSA-N 3 2 330.520 1.864 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000120887176 442147408 /nfs/dbraw/zinc/14/74/08/442147408.db2.gz BARCCMBTKVWNEV-SFHVURJKSA-N 2 2 349.450 1.581 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000120887176 442147411 /nfs/dbraw/zinc/14/74/11/442147411.db2.gz BARCCMBTKVWNEV-SFHVURJKSA-N 2 2 349.450 1.581 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000176062886 442169503 /nfs/dbraw/zinc/16/95/03/442169503.db2.gz FNEIOFRXDAAXJO-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000176062886 442169510 /nfs/dbraw/zinc/16/95/10/442169510.db2.gz FNEIOFRXDAAXJO-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000176062886 442169517 /nfs/dbraw/zinc/16/95/17/442169517.db2.gz FNEIOFRXDAAXJO-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000121106241 442177246 /nfs/dbraw/zinc/17/72/46/442177246.db2.gz WXLYQOOCKIKJKE-SFHVURJKSA-N 2 2 347.459 1.160 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000121106241 442177251 /nfs/dbraw/zinc/17/72/51/442177251.db2.gz WXLYQOOCKIKJKE-SFHVURJKSA-N 2 2 347.459 1.160 20 0 EDADLP Cc1nc2c(cnn2C)c(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000120942528 442154598 /nfs/dbraw/zinc/15/45/98/442154598.db2.gz KANGXYWEYHYYNR-HNNXBMFYSA-N 2 2 343.479 1.278 20 0 EDADLP Cc1nc2c(cnn2C)c(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000120942528 442154599 /nfs/dbraw/zinc/15/45/99/442154599.db2.gz KANGXYWEYHYYNR-HNNXBMFYSA-N 2 2 343.479 1.278 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000163370018 442160919 /nfs/dbraw/zinc/16/09/19/442160919.db2.gz ZSXXICCUTHPIJI-OCCSQVGLSA-N 2 2 345.285 1.735 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000163370018 442160921 /nfs/dbraw/zinc/16/09/21/442160921.db2.gz ZSXXICCUTHPIJI-OCCSQVGLSA-N 2 2 345.285 1.735 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000165260204 442207643 /nfs/dbraw/zinc/20/76/43/442207643.db2.gz NJANUEQIZJCWNS-KRWDZBQOSA-N 2 2 328.416 1.587 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000153245532 442270213 /nfs/dbraw/zinc/27/02/13/442270213.db2.gz OEMKXNMICLFBFI-RDJZCZTQSA-N 2 2 326.481 1.492 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000153245532 442270216 /nfs/dbraw/zinc/27/02/16/442270216.db2.gz OEMKXNMICLFBFI-RDJZCZTQSA-N 2 2 326.481 1.492 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171003003 442297604 /nfs/dbraw/zinc/29/76/04/442297604.db2.gz JBHBATAKBBIHGV-QGZVFWFLSA-N 2 2 348.491 1.699 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171003003 442297606 /nfs/dbraw/zinc/29/76/06/442297606.db2.gz JBHBATAKBBIHGV-QGZVFWFLSA-N 2 2 348.491 1.699 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000129052878 442300139 /nfs/dbraw/zinc/30/01/39/442300139.db2.gz PBEDDVYGTVIYGG-JKSUJKDBSA-N 2 2 343.475 1.834 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000129052878 442300140 /nfs/dbraw/zinc/30/01/40/442300140.db2.gz PBEDDVYGTVIYGG-JKSUJKDBSA-N 2 2 343.475 1.834 20 0 EDADLP Cc1ccc(OCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)c1 ZINC000177125414 442300970 /nfs/dbraw/zinc/30/09/70/442300970.db2.gz XZXPMUGTGIAEHE-UHFFFAOYSA-N 2 2 333.476 1.824 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000129561009 442323246 /nfs/dbraw/zinc/32/32/46/442323246.db2.gz VIDGTVLKLLEMCN-OAHLLOKOSA-N 2 2 331.464 1.644 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374980 442333049 /nfs/dbraw/zinc/33/30/49/442333049.db2.gz HNXZIAYRXZAQFM-KRWDZBQOSA-N 2 2 338.540 1.591 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374980 442333050 /nfs/dbraw/zinc/33/30/50/442333050.db2.gz HNXZIAYRXZAQFM-KRWDZBQOSA-N 2 2 338.540 1.591 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177374980 442333052 /nfs/dbraw/zinc/33/30/52/442333052.db2.gz HNXZIAYRXZAQFM-KRWDZBQOSA-N 2 2 338.540 1.591 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177374980 442333053 /nfs/dbraw/zinc/33/30/53/442333053.db2.gz HNXZIAYRXZAQFM-KRWDZBQOSA-N 2 2 338.540 1.591 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374967 442333088 /nfs/dbraw/zinc/33/30/88/442333088.db2.gz HNXZIAYRXZAQFM-QGZVFWFLSA-N 2 2 338.540 1.591 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374967 442333090 /nfs/dbraw/zinc/33/30/90/442333090.db2.gz HNXZIAYRXZAQFM-QGZVFWFLSA-N 2 2 338.540 1.591 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177374967 442333091 /nfs/dbraw/zinc/33/30/91/442333091.db2.gz HNXZIAYRXZAQFM-QGZVFWFLSA-N 2 2 338.540 1.591 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177374967 442333093 /nfs/dbraw/zinc/33/30/93/442333093.db2.gz HNXZIAYRXZAQFM-QGZVFWFLSA-N 2 2 338.540 1.591 20 0 EDADLP C[C@@H](C(=O)NC1(C[NH3+])CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000154374626 442336058 /nfs/dbraw/zinc/33/60/58/442336058.db2.gz SLOQPBDHMOSERM-HNNXBMFYSA-N 2 2 348.466 1.724 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000177452896 442343211 /nfs/dbraw/zinc/34/32/11/442343211.db2.gz OHVJPYBIIXJDJN-INIZCTEOSA-N 2 2 335.452 1.168 20 0 EDADLP O=C(C[C@H]1CC[NH2+]C1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000130736849 442354575 /nfs/dbraw/zinc/35/45/75/442354575.db2.gz PQYBSKDKRGYVPZ-MSOLQXFVSA-N 2 2 331.460 1.046 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)c1 ZINC000153928901 442311444 /nfs/dbraw/zinc/31/14/44/442311444.db2.gz MKBXUBPXSATXFQ-OAHLLOKOSA-N 2 2 325.416 1.498 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000153962040 442313302 /nfs/dbraw/zinc/31/33/02/442313302.db2.gz VQJCQQKDZFCYMQ-JKSUJKDBSA-N 2 2 337.468 1.444 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000153962040 442313306 /nfs/dbraw/zinc/31/33/06/442313306.db2.gz VQJCQQKDZFCYMQ-JKSUJKDBSA-N 2 2 337.468 1.444 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(C)[nH+]1 ZINC000155293007 442385707 /nfs/dbraw/zinc/38/57/07/442385707.db2.gz LWXLGKZQWMBWEZ-CQSZACIVSA-N 2 2 330.432 1.770 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(C)[nH+]1 ZINC000155293007 442385711 /nfs/dbraw/zinc/38/57/11/442385711.db2.gz LWXLGKZQWMBWEZ-CQSZACIVSA-N 2 2 330.432 1.770 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NCC3CC[NH+](CCO)CC3)cn21 ZINC000171908260 442390228 /nfs/dbraw/zinc/39/02/28/442390228.db2.gz YKNPYGHHWBYESX-UHFFFAOYSA-N 2 2 345.447 1.146 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172118476 442411252 /nfs/dbraw/zinc/41/12/52/442411252.db2.gz JCQGTQZREJVRCL-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000172118476 442411253 /nfs/dbraw/zinc/41/12/53/442411253.db2.gz JCQGTQZREJVRCL-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP O=C(C[N@H+]1CCc2ccc(F)cc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000133894649 442439190 /nfs/dbraw/zinc/43/91/90/442439190.db2.gz LELJUNORGZEKBB-UHFFFAOYSA-N 2 2 331.435 1.927 20 0 EDADLP O=C(C[N@@H+]1CCc2ccc(F)cc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000133894649 442439193 /nfs/dbraw/zinc/43/91/93/442439193.db2.gz LELJUNORGZEKBB-UHFFFAOYSA-N 2 2 331.435 1.927 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000156167986 442452408 /nfs/dbraw/zinc/45/24/08/442452408.db2.gz UWQDLHBMUDVDLQ-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000156167986 442452410 /nfs/dbraw/zinc/45/24/10/442452410.db2.gz UWQDLHBMUDVDLQ-MRXNPFEDSA-N 2 2 340.512 1.374 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000178659491 442453133 /nfs/dbraw/zinc/45/31/33/442453133.db2.gz JQDTWZGNTMRHMA-INIZCTEOSA-N 2 2 347.459 1.490 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCO1 ZINC000178798417 442487987 /nfs/dbraw/zinc/48/79/87/442487987.db2.gz YPTHKQYIVHURPS-HNNXBMFYSA-N 2 2 347.463 1.070 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCO1 ZINC000178798417 442487992 /nfs/dbraw/zinc/48/79/92/442487992.db2.gz YPTHKQYIVHURPS-HNNXBMFYSA-N 2 2 347.463 1.070 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[C@H]3CC[NH2+]C3)cn2c1 ZINC000178953169 442536298 /nfs/dbraw/zinc/53/62/98/442536298.db2.gz VWCZQNHVGSFYPT-CQSZACIVSA-N 2 2 332.473 1.992 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)CN1CC[NH+]1CCOCC1 ZINC000180181255 442554241 /nfs/dbraw/zinc/55/42/41/442554241.db2.gz WTBUXNJQHNTBAW-UYAOXDASSA-N 2 2 343.471 1.660 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCn2cccn2)([NH+]2CCCCC2)CC1 ZINC000172850783 442555577 /nfs/dbraw/zinc/55/55/77/442555577.db2.gz XPLBSFYITZKRCC-UHFFFAOYSA-N 2 2 333.480 1.340 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186324134 442511640 /nfs/dbraw/zinc/51/16/40/442511640.db2.gz OHABDHGAACGUBD-UHFFFAOYSA-N 2 2 343.475 1.930 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2ccc(Cl)s2)CN1CC[NH+]1CCOCC1 ZINC000178907566 442521629 /nfs/dbraw/zinc/52/16/29/442521629.db2.gz XUBDYKAGKDFZKW-GFCCVEGCSA-N 2 2 343.880 1.424 20 0 EDADLP COCc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC000172929858 442569541 /nfs/dbraw/zinc/56/95/41/442569541.db2.gz DAGIZAQAJRWFHJ-UHFFFAOYSA-N 2 2 336.436 1.109 20 0 EDADLP CC[C@H](c1ccncc1)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000179160379 442585454 /nfs/dbraw/zinc/58/54/54/442585454.db2.gz KIJCLHKBMPJQLN-QGZVFWFLSA-N 2 2 348.491 1.692 20 0 EDADLP CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000179160379 442585461 /nfs/dbraw/zinc/58/54/61/442585461.db2.gz KIJCLHKBMPJQLN-QGZVFWFLSA-N 2 2 348.491 1.692 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000192112399 442595328 /nfs/dbraw/zinc/59/53/28/442595328.db2.gz AXIMLODGXSPKPJ-MCIONIFRSA-N 2 2 325.478 1.563 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000173279814 442640447 /nfs/dbraw/zinc/64/04/47/442640447.db2.gz ZFSKJBXIMMRDHV-UONOGXRCSA-N 2 2 346.431 1.502 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C ZINC000173279814 442640450 /nfs/dbraw/zinc/64/04/50/442640450.db2.gz ZFSKJBXIMMRDHV-UONOGXRCSA-N 2 2 346.431 1.502 20 0 EDADLP CN(CCc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179283813 442612553 /nfs/dbraw/zinc/61/25/53/442612553.db2.gz XNOLPQQFQRUJET-UHFFFAOYSA-N 2 2 332.492 1.897 20 0 EDADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181031582 442676518 /nfs/dbraw/zinc/67/65/18/442676518.db2.gz GLVAQUYIWYZGNL-AEFFLSMTSA-N 2 2 331.460 1.579 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1(C)C ZINC000188067151 442707772 /nfs/dbraw/zinc/70/77/72/442707772.db2.gz WTUVHAWHUXFKKC-KBXCAEBGSA-N 2 2 343.431 1.416 20 0 EDADLP COc1cc(C[N@H+](CC(=O)N2CC[NH+](C)CC2)C2CC2)ccc1O ZINC000180787470 442659249 /nfs/dbraw/zinc/65/92/49/442659249.db2.gz ZONJMAROHATUJX-UHFFFAOYSA-N 2 2 333.432 1.139 20 0 EDADLP COc1cc(C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C2CC2)ccc1O ZINC000180787470 442659251 /nfs/dbraw/zinc/65/92/51/442659251.db2.gz ZONJMAROHATUJX-UHFFFAOYSA-N 2 2 333.432 1.139 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1CCO ZINC000187262449 442665044 /nfs/dbraw/zinc/66/50/44/442665044.db2.gz YRHRYKFJHXNSML-AEFFLSMTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1CCO ZINC000187262449 442665046 /nfs/dbraw/zinc/66/50/46/442665046.db2.gz YRHRYKFJHXNSML-AEFFLSMTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000187262449 442665047 /nfs/dbraw/zinc/66/50/47/442665047.db2.gz YRHRYKFJHXNSML-AEFFLSMTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1CCO ZINC000187262449 442665048 /nfs/dbraw/zinc/66/50/48/442665048.db2.gz YRHRYKFJHXNSML-AEFFLSMTSA-N 2 2 331.460 1.176 20 0 EDADLP [NH3+]Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)co1 ZINC000188196422 442723479 /nfs/dbraw/zinc/72/34/79/442723479.db2.gz ALFOANIWBJHNEG-KRWDZBQOSA-N 2 2 343.427 1.412 20 0 EDADLP CCOC(C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)OCC ZINC000188326694 442739516 /nfs/dbraw/zinc/73/95/16/442739516.db2.gz IHCYLZUMXYEYCX-IBGZPJMESA-N 2 2 336.476 1.954 20 0 EDADLP CCOC(C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)OCC ZINC000188326694 442739517 /nfs/dbraw/zinc/73/95/17/442739517.db2.gz IHCYLZUMXYEYCX-IBGZPJMESA-N 2 2 336.476 1.954 20 0 EDADLP CCOC(C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)OCC ZINC000188326694 442739518 /nfs/dbraw/zinc/73/95/18/442739518.db2.gz IHCYLZUMXYEYCX-IBGZPJMESA-N 2 2 336.476 1.954 20 0 EDADLP CCOC(C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)OCC ZINC000188326694 442739519 /nfs/dbraw/zinc/73/95/19/442739519.db2.gz IHCYLZUMXYEYCX-IBGZPJMESA-N 2 2 336.476 1.954 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000246525199 442788723 /nfs/dbraw/zinc/78/87/23/442788723.db2.gz VZYOPUXJWWMLFP-MJGOQNOKSA-N 2 2 345.487 1.860 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000246525199 442788727 /nfs/dbraw/zinc/78/87/27/442788727.db2.gz VZYOPUXJWWMLFP-MJGOQNOKSA-N 2 2 345.487 1.860 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246699224 442805582 /nfs/dbraw/zinc/80/55/82/442805582.db2.gz YBOAODPBVGVHFP-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000265447469 442775868 /nfs/dbraw/zinc/77/58/68/442775868.db2.gz SHSQRNUIJYKFAC-QGZVFWFLSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000265447469 442775872 /nfs/dbraw/zinc/77/58/72/442775872.db2.gz SHSQRNUIJYKFAC-QGZVFWFLSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000265447469 442775877 /nfs/dbraw/zinc/77/58/77/442775877.db2.gz SHSQRNUIJYKFAC-QGZVFWFLSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000265447469 442775883 /nfs/dbraw/zinc/77/58/83/442775883.db2.gz SHSQRNUIJYKFAC-QGZVFWFLSA-N 2 2 332.492 1.261 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000246387396 442778086 /nfs/dbraw/zinc/77/80/86/442778086.db2.gz IUBWFTPZGPVKES-NCOADZHNSA-N 2 2 340.512 1.467 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000246387396 442778088 /nfs/dbraw/zinc/77/80/88/442778088.db2.gz IUBWFTPZGPVKES-NCOADZHNSA-N 2 2 340.512 1.467 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000265596111 442839033 /nfs/dbraw/zinc/83/90/33/442839033.db2.gz LBOGHRYUZNGDIX-OAHLLOKOSA-N 2 2 335.452 1.294 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000265596111 442839035 /nfs/dbraw/zinc/83/90/35/442839035.db2.gz LBOGHRYUZNGDIX-OAHLLOKOSA-N 2 2 335.452 1.294 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182994049 442860806 /nfs/dbraw/zinc/86/08/06/442860806.db2.gz WOMKOWQGTNPSQE-BHYGNILZSA-N 2 2 344.521 1.433 20 0 EDADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1nc[nH]n1 ZINC000183103872 442880706 /nfs/dbraw/zinc/88/07/06/442880706.db2.gz XSRNWDALLSKXSB-AWEZNQCLSA-N 2 2 349.483 1.115 20 0 EDADLP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1nnc[nH]1 ZINC000183103872 442880710 /nfs/dbraw/zinc/88/07/10/442880710.db2.gz XSRNWDALLSKXSB-AWEZNQCLSA-N 2 2 349.483 1.115 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000268116924 442854291 /nfs/dbraw/zinc/85/42/91/442854291.db2.gz MZWCFZJYKPLAED-UHFFFAOYSA-N 2 2 325.478 1.650 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000268116924 442854296 /nfs/dbraw/zinc/85/42/96/442854296.db2.gz MZWCFZJYKPLAED-UHFFFAOYSA-N 2 2 325.478 1.650 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C[C@@H]1[NH+](C)C ZINC000268338091 442953589 /nfs/dbraw/zinc/95/35/89/442953589.db2.gz GJBJNEYLUOVFHC-HOCLYGCPSA-N 2 2 347.463 1.010 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000251723158 443017027 /nfs/dbraw/zinc/01/70/27/443017027.db2.gz LXFLDFZYBPIIEM-RDJZCZTQSA-N 2 2 340.512 1.205 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000251723158 443017033 /nfs/dbraw/zinc/01/70/33/443017033.db2.gz LXFLDFZYBPIIEM-RDJZCZTQSA-N 2 2 340.512 1.205 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000268470660 443000474 /nfs/dbraw/zinc/00/04/74/443000474.db2.gz BOMYEVVVOJARHI-UHFFFAOYSA-N 2 2 349.479 1.418 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1n[nH]c2c1CCCCC2 ZINC000190387115 443098274 /nfs/dbraw/zinc/09/82/74/443098274.db2.gz XVHMVGZZAVICDP-UHFFFAOYSA-N 2 2 347.507 1.777 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1n[nH]c2c1CCCCC2 ZINC000190387115 443098276 /nfs/dbraw/zinc/09/82/76/443098276.db2.gz XVHMVGZZAVICDP-UHFFFAOYSA-N 2 2 347.507 1.777 20 0 EDADLP CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)N2CC[NH+](CC)CC2)o1 ZINC000184826823 443082202 /nfs/dbraw/zinc/08/22/02/443082202.db2.gz XEFMDCRTAQRAJX-GOEBONIOSA-N 2 2 337.464 1.672 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000255623151 443105400 /nfs/dbraw/zinc/10/54/00/443105400.db2.gz XLMBVWDVLTXWHY-MTIYJEKLSA-N 2 2 329.444 1.175 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000255623151 443105402 /nfs/dbraw/zinc/10/54/02/443105402.db2.gz XLMBVWDVLTXWHY-MTIYJEKLSA-N 2 2 329.444 1.175 20 0 EDADLP C[NH2+]CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCOC(C)(C)C1 ZINC000237232366 443165027 /nfs/dbraw/zinc/16/50/27/443165027.db2.gz UZZARJLTRJDKQX-OAHLLOKOSA-N 2 2 339.867 1.828 20 0 EDADLP C[NH2+]CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCOC(C)(C)C1 ZINC000237232366 443165033 /nfs/dbraw/zinc/16/50/33/443165033.db2.gz UZZARJLTRJDKQX-OAHLLOKOSA-N 2 2 339.867 1.828 20 0 EDADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735083 443166488 /nfs/dbraw/zinc/16/64/88/443166488.db2.gz LFWKKPQHSDHZTA-XHDPSFHLSA-N 2 2 340.265 1.786 20 0 EDADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735083 443166490 /nfs/dbraw/zinc/16/64/90/443166490.db2.gz LFWKKPQHSDHZTA-XHDPSFHLSA-N 2 2 340.265 1.786 20 0 EDADLP CCn1cc[nH+]c1CN(Cc1csnn1)[C@H]1CC12CC[NH2+]CC2 ZINC000262020023 443180687 /nfs/dbraw/zinc/18/06/87/443180687.db2.gz LYNJDZXISDWCHL-AWEZNQCLSA-N 2 2 332.477 1.899 20 0 EDADLP CCC(CC)[C@H](C(=O)NCCNc1cccc[nH+]1)[NH+]1CCOCC1 ZINC000266610126 443185758 /nfs/dbraw/zinc/18/57/58/443185758.db2.gz QZTRFQUSJGTIQX-QGZVFWFLSA-N 2 2 334.464 1.747 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc(OC)c1OC ZINC000268928337 443149434 /nfs/dbraw/zinc/14/94/34/443149434.db2.gz QEWOEBJKUUYUIB-UKRRQHHQSA-N 2 2 337.464 1.609 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc(OC)c1OC ZINC000268928337 443149436 /nfs/dbraw/zinc/14/94/36/443149436.db2.gz QEWOEBJKUUYUIB-UKRRQHHQSA-N 2 2 337.464 1.609 20 0 EDADLP C[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000269117978 443203183 /nfs/dbraw/zinc/20/31/83/443203183.db2.gz XEAFBKHRCFCWFL-INIZCTEOSA-N 2 2 331.460 1.590 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccn(C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000360053285 319116622 /nfs/dbraw/zinc/11/66/22/319116622.db2.gz CZARWLRZEFNUFS-HNNXBMFYSA-N 2 2 333.480 1.335 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1C ZINC000412235833 319227620 /nfs/dbraw/zinc/22/76/20/319227620.db2.gz YOJFGXRAURUTIV-HNNXBMFYSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc1C ZINC000412235833 319227621 /nfs/dbraw/zinc/22/76/21/319227621.db2.gz YOJFGXRAURUTIV-HNNXBMFYSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c(C)[nH+]1 ZINC000415706892 319365049 /nfs/dbraw/zinc/36/50/49/319365049.db2.gz JNMKSTKILITQNY-QGZVFWFLSA-N 2 2 338.411 1.640 20 0 EDADLP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000269269809 443259818 /nfs/dbraw/zinc/25/98/18/443259818.db2.gz RLEHYDBMNMKPRI-PBHICJAKSA-N 2 2 333.432 1.334 20 0 EDADLP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000269269809 443259822 /nfs/dbraw/zinc/25/98/22/443259822.db2.gz RLEHYDBMNMKPRI-PBHICJAKSA-N 2 2 333.432 1.334 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCC[C@@H]2C[NH3+])[nH+]cc1Br ZINC000415795410 319370605 /nfs/dbraw/zinc/37/06/05/319370605.db2.gz YFOWCZJAPQRFDV-SECBINFHSA-N 2 2 342.241 1.865 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415813364 319372744 /nfs/dbraw/zinc/37/27/44/319372744.db2.gz UHJVYNGOMASVMD-VXGBXAGGSA-N 2 2 343.431 1.553 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000416001294 319389339 /nfs/dbraw/zinc/38/93/39/319389339.db2.gz CDMAYSCRJVZTRW-WOPDTQHZSA-N 2 2 333.358 1.755 20 0 EDADLP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000416165646 319395830 /nfs/dbraw/zinc/39/58/30/319395830.db2.gz HDHCOPQQENWLQZ-MSOLQXFVSA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000416165646 319395831 /nfs/dbraw/zinc/39/58/31/319395831.db2.gz HDHCOPQQENWLQZ-MSOLQXFVSA-N 2 2 331.460 1.659 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000269303160 443274101 /nfs/dbraw/zinc/27/41/01/443274101.db2.gz ZBNDMBYPFNWSRW-CJNGLKHVSA-N 2 2 347.463 1.640 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C[C@H]1[NH3+] ZINC000416888613 319469613 /nfs/dbraw/zinc/46/96/13/319469613.db2.gz JKICRFZQSKTJJV-DJIMGWMZSA-N 2 2 332.448 1.049 20 0 EDADLP CCC[NH2+]CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416920170 319474968 /nfs/dbraw/zinc/47/49/68/319474968.db2.gz SRZLEVIWVFDJBY-OAHLLOKOSA-N 2 2 333.411 1.947 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c[nH+]1 ZINC000278454710 443336594 /nfs/dbraw/zinc/33/65/94/443336594.db2.gz UXKRACNMAHGKLD-MRXNPFEDSA-N 2 2 331.464 1.964 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c[nH+]1 ZINC000278454710 443336598 /nfs/dbraw/zinc/33/65/98/443336598.db2.gz UXKRACNMAHGKLD-MRXNPFEDSA-N 2 2 331.464 1.964 20 0 EDADLP Cc1ccn2cc(CNC(=O)NCC[NH+]3CCSCC3)[nH+]c2c1 ZINC000264807976 443434590 /nfs/dbraw/zinc/43/45/90/443434590.db2.gz GBSPTXUACNWGLJ-UHFFFAOYSA-N 2 2 333.461 1.491 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000269794853 443444488 /nfs/dbraw/zinc/44/44/88/443444488.db2.gz HBBBNEFYOFVNLF-KRWDZBQOSA-N 2 2 332.404 1.208 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc(C)[nH+]1 ZINC000422978378 319744604 /nfs/dbraw/zinc/74/46/04/319744604.db2.gz ZFOKQQIRZHYPJL-KRWDZBQOSA-N 2 2 344.459 1.305 20 0 EDADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423402754 319771592 /nfs/dbraw/zinc/77/15/92/319771592.db2.gz XBQUNEUXHZGHOW-QLFBSQMISA-N 3 2 328.382 1.557 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279169909 443523176 /nfs/dbraw/zinc/52/31/76/443523176.db2.gz QRRZSRPIUSGUGM-QGZVFWFLSA-N 2 2 327.432 1.302 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279169909 443523179 /nfs/dbraw/zinc/52/31/79/443523179.db2.gz QRRZSRPIUSGUGM-QGZVFWFLSA-N 2 2 327.432 1.302 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1)[C@H](C)[NH3+] ZINC000423771134 319813956 /nfs/dbraw/zinc/81/39/56/319813956.db2.gz HXELPJDJOKNYJV-CVEARBPZSA-N 2 2 341.459 1.500 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000265208806 443570488 /nfs/dbraw/zinc/57/04/88/443570488.db2.gz VGKZTYGPWCKVPN-CVEARBPZSA-N 2 2 333.480 1.810 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC[C@@H]21 ZINC000272294259 443583316 /nfs/dbraw/zinc/58/33/16/443583316.db2.gz VQYFTBWJGXBFGX-YOEHRIQHSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC[C@@H]21 ZINC000272294259 443583318 /nfs/dbraw/zinc/58/33/18/443583318.db2.gz VQYFTBWJGXBFGX-YOEHRIQHSA-N 2 2 325.416 1.824 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000279712038 443624139 /nfs/dbraw/zinc/62/41/39/443624139.db2.gz KLGGTNRGXGGVDV-WMZOPIPTSA-N 2 2 335.448 1.149 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000279712038 443624143 /nfs/dbraw/zinc/62/41/43/443624143.db2.gz KLGGTNRGXGGVDV-WMZOPIPTSA-N 2 2 335.448 1.149 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000279712038 443624146 /nfs/dbraw/zinc/62/41/46/443624146.db2.gz KLGGTNRGXGGVDV-WMZOPIPTSA-N 2 2 335.448 1.149 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000279712038 443624150 /nfs/dbraw/zinc/62/41/50/443624150.db2.gz KLGGTNRGXGGVDV-WMZOPIPTSA-N 2 2 335.448 1.149 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cncc(F)c1 ZINC000279928645 443644322 /nfs/dbraw/zinc/64/43/22/443644322.db2.gz NHBZVLHYQDMAEW-HOTGVXAUSA-N 2 2 335.402 1.999 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cncc(F)c1 ZINC000279928645 443644324 /nfs/dbraw/zinc/64/43/24/443644324.db2.gz NHBZVLHYQDMAEW-HOTGVXAUSA-N 2 2 335.402 1.999 20 0 EDADLP COC(=O)[C@H](c1ccsc1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000279950542 443648024 /nfs/dbraw/zinc/64/80/24/443648024.db2.gz HRSXPFWKGHCDQP-BBRMVZONSA-N 2 2 340.489 1.987 20 0 EDADLP COC(=O)[C@H](c1ccsc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000279950542 443648025 /nfs/dbraw/zinc/64/80/25/443648025.db2.gz HRSXPFWKGHCDQP-BBRMVZONSA-N 2 2 340.489 1.987 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000434006461 319991874 /nfs/dbraw/zinc/99/18/74/319991874.db2.gz PFQOYFKOBBZWQJ-UKRRQHHQSA-N 2 2 347.419 1.340 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1)[NH+](CC)CC ZINC000276167933 443660493 /nfs/dbraw/zinc/66/04/93/443660493.db2.gz BBNZONROVREKQM-HUUCEWRRSA-N 2 2 348.495 1.212 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1)[NH+](CC)CC ZINC000276167933 443660495 /nfs/dbraw/zinc/66/04/95/443660495.db2.gz BBNZONROVREKQM-HUUCEWRRSA-N 2 2 348.495 1.212 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000438910606 320036929 /nfs/dbraw/zinc/03/69/29/320036929.db2.gz BWJCMLFNZGMGNY-UHFFFAOYSA-N 2 2 347.450 1.533 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)CC[C@H]3C)ccc2[nH+]1 ZINC000439342282 320045274 /nfs/dbraw/zinc/04/52/74/320045274.db2.gz GOWDBHUXCMEXFE-CYBMUJFWSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](C)CC[C@H]3C)ccc2[nH+]1 ZINC000439342282 320045277 /nfs/dbraw/zinc/04/52/77/320045277.db2.gz GOWDBHUXCMEXFE-CYBMUJFWSA-N 2 2 329.404 1.134 20 0 EDADLP CCc1nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)cc(C)[nH+]1 ZINC000283577373 443665367 /nfs/dbraw/zinc/66/53/67/443665367.db2.gz OPPMUAZQPYERFZ-UHFFFAOYSA-N 2 2 331.464 1.482 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C[N@@H+]1C1CC1 ZINC000440931051 320086020 /nfs/dbraw/zinc/08/60/20/320086020.db2.gz ITQSNEQURZURMK-QAPCUYQASA-N 2 2 343.471 1.874 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C[N@H+]1C1CC1 ZINC000440931051 320086022 /nfs/dbraw/zinc/08/60/22/320086022.db2.gz ITQSNEQURZURMK-QAPCUYQASA-N 2 2 343.471 1.874 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1sccc1C[NH+](C)C ZINC000446927014 320136008 /nfs/dbraw/zinc/13/60/08/320136008.db2.gz DBNSGHYFEPWOBV-CYBMUJFWSA-N 2 2 325.478 1.650 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449373235 320185623 /nfs/dbraw/zinc/18/56/23/320185623.db2.gz BJARJTNXMHTFJF-DGCLKSJQSA-N 2 2 328.254 1.541 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449373235 320185625 /nfs/dbraw/zinc/18/56/25/320185625.db2.gz BJARJTNXMHTFJF-DGCLKSJQSA-N 2 2 328.254 1.541 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc2c1OCCO2 ZINC000449392807 320187416 /nfs/dbraw/zinc/18/74/16/320187416.db2.gz KZBKRYJMRLTWRQ-HNNXBMFYSA-N 2 2 336.432 1.403 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc2c1OCCO2 ZINC000449392807 320187417 /nfs/dbraw/zinc/18/74/17/320187417.db2.gz KZBKRYJMRLTWRQ-HNNXBMFYSA-N 2 2 336.432 1.403 20 0 EDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449390403 320187834 /nfs/dbraw/zinc/18/78/34/320187834.db2.gz VXVHXXLQRVZUDG-OCCSQVGLSA-N 2 2 345.285 1.471 20 0 EDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449390403 320187835 /nfs/dbraw/zinc/18/78/35/320187835.db2.gz VXVHXXLQRVZUDG-OCCSQVGLSA-N 2 2 345.285 1.471 20 0 EDADLP CC[C@H](C)[C@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)OC ZINC000449400963 320188806 /nfs/dbraw/zinc/18/88/06/320188806.db2.gz FBOYQKTTZXZTRZ-WMZOPIPTSA-N 2 2 327.513 1.434 20 0 EDADLP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)OC ZINC000449400963 320188808 /nfs/dbraw/zinc/18/88/08/320188808.db2.gz FBOYQKTTZXZTRZ-WMZOPIPTSA-N 2 2 327.513 1.434 20 0 EDADLP COCC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCC1 ZINC000449742641 320203372 /nfs/dbraw/zinc/20/33/72/320203372.db2.gz PVPLVADWVBBABD-UHFFFAOYSA-N 2 2 339.524 1.579 20 0 EDADLP COCC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCC1 ZINC000449742641 320203375 /nfs/dbraw/zinc/20/33/75/320203375.db2.gz PVPLVADWVBBABD-UHFFFAOYSA-N 2 2 339.524 1.579 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C12CCOCC2 ZINC000453282302 320262462 /nfs/dbraw/zinc/26/24/62/320262462.db2.gz DPBWAACFXXDGHV-BRWVUGGUSA-N 2 2 326.481 1.397 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C12CCOCC2 ZINC000453282302 320262464 /nfs/dbraw/zinc/26/24/64/320262464.db2.gz DPBWAACFXXDGHV-BRWVUGGUSA-N 2 2 326.481 1.397 20 0 EDADLP CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000457039545 320318029 /nfs/dbraw/zinc/31/80/29/320318029.db2.gz DTAQMYPPQZNANC-SFHVURJKSA-N 2 2 345.487 1.878 20 0 EDADLP CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000457039545 320318030 /nfs/dbraw/zinc/31/80/30/320318030.db2.gz DTAQMYPPQZNANC-SFHVURJKSA-N 2 2 345.487 1.878 20 0 EDADLP CCO[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000458597640 320337717 /nfs/dbraw/zinc/33/77/17/320337717.db2.gz PIDYXVPXZZTCMF-NVXWUHKLSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H]1C[N@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)CCCO1 ZINC000280291735 443692829 /nfs/dbraw/zinc/69/28/29/443692829.db2.gz ZFJOZQNQAVDKGW-NVXWUHKLSA-N 2 2 329.448 1.985 20 0 EDADLP C[C@@H]1C[N@@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)CCCO1 ZINC000280291735 443692830 /nfs/dbraw/zinc/69/28/30/443692830.db2.gz ZFJOZQNQAVDKGW-NVXWUHKLSA-N 2 2 329.448 1.985 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000280234561 443679926 /nfs/dbraw/zinc/67/99/26/443679926.db2.gz MFDWXCLNAGGPNW-HZPDHXFCSA-N 2 2 329.448 1.136 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000280234561 443679928 /nfs/dbraw/zinc/67/99/28/443679928.db2.gz MFDWXCLNAGGPNW-HZPDHXFCSA-N 2 2 329.448 1.136 20 0 EDADLP C[NH+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000280234561 443679929 /nfs/dbraw/zinc/67/99/29/443679929.db2.gz MFDWXCLNAGGPNW-HZPDHXFCSA-N 2 2 329.448 1.136 20 0 EDADLP C[NH+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000280234561 443679931 /nfs/dbraw/zinc/67/99/31/443679931.db2.gz MFDWXCLNAGGPNW-HZPDHXFCSA-N 2 2 329.448 1.136 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[NH+](CC3CCCCC3)CC2)nc[nH+]1 ZINC000514587763 320429108 /nfs/dbraw/zinc/42/91/08/320429108.db2.gz WQRGPZXMVHXBCK-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000283785680 443719166 /nfs/dbraw/zinc/71/91/66/443719166.db2.gz FYODCOYRAMMZRB-OAHLLOKOSA-N 2 2 349.479 1.159 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298266681 443734714 /nfs/dbraw/zinc/73/47/14/443734714.db2.gz WDXVSTMVXNWLID-ZIAGYGMSSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000298266681 443734716 /nfs/dbraw/zinc/73/47/16/443734716.db2.gz WDXVSTMVXNWLID-ZIAGYGMSSA-N 2 2 343.431 1.509 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000292444965 443796254 /nfs/dbraw/zinc/79/62/54/443796254.db2.gz WFYCAMLBEQSGAU-UHFFFAOYSA-N 2 2 331.420 1.819 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000298558420 443799424 /nfs/dbraw/zinc/79/94/24/443799424.db2.gz PEBXSCFBFZMDMR-QZTJIDSGSA-N 2 2 346.475 1.131 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000298558420 443799428 /nfs/dbraw/zinc/79/94/28/443799428.db2.gz PEBXSCFBFZMDMR-QZTJIDSGSA-N 2 2 346.475 1.131 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000298558420 443799430 /nfs/dbraw/zinc/79/94/30/443799430.db2.gz PEBXSCFBFZMDMR-QZTJIDSGSA-N 2 2 346.475 1.131 20 0 EDADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000298558420 443799434 /nfs/dbraw/zinc/79/94/34/443799434.db2.gz PEBXSCFBFZMDMR-QZTJIDSGSA-N 2 2 346.475 1.131 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1c[nH+]cn1C ZINC000281081792 443812777 /nfs/dbraw/zinc/81/27/77/443812777.db2.gz CUIQHJSATIULBM-WBVHZDCISA-N 2 2 329.448 1.442 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277029779 443891191 /nfs/dbraw/zinc/89/11/91/443891191.db2.gz BADWGLDGOHDSSV-KRWDZBQOSA-N 2 2 333.476 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277029779 443891195 /nfs/dbraw/zinc/89/11/95/443891195.db2.gz BADWGLDGOHDSSV-KRWDZBQOSA-N 2 2 333.476 1.906 20 0 EDADLP COC(=O)[C@H]1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000298730006 443852352 /nfs/dbraw/zinc/85/23/52/443852352.db2.gz OCXBEORGBYNKSV-GJZGRUSLSA-N 2 2 331.416 1.509 20 0 EDADLP COC(=O)[C@H]1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000298730006 443852357 /nfs/dbraw/zinc/85/23/57/443852357.db2.gz OCXBEORGBYNKSV-GJZGRUSLSA-N 2 2 331.416 1.509 20 0 EDADLP COCc1cccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000299048157 443938731 /nfs/dbraw/zinc/93/87/31/443938731.db2.gz HERYFYSGTSCTQZ-UHFFFAOYSA-N 2 2 333.476 1.931 20 0 EDADLP COCc1cccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000299048157 443938735 /nfs/dbraw/zinc/93/87/35/443938735.db2.gz HERYFYSGTSCTQZ-UHFFFAOYSA-N 2 2 333.476 1.931 20 0 EDADLP CC(C)[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCOCCO ZINC000285303226 443934848 /nfs/dbraw/zinc/93/48/48/443934848.db2.gz MCSDJEYJDBBPHJ-UHFFFAOYSA-N 2 2 349.519 1.918 20 0 EDADLP CC(C)[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CCOCCO ZINC000285303226 443934850 /nfs/dbraw/zinc/93/48/50/443934850.db2.gz MCSDJEYJDBBPHJ-UHFFFAOYSA-N 2 2 349.519 1.918 20 0 EDADLP C[C@@H](O)C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)CO ZINC000285388391 443965369 /nfs/dbraw/zinc/96/53/69/443965369.db2.gz SNGSRODGTFWSNN-ZWKOTPCHSA-N 2 2 335.492 1.262 20 0 EDADLP C[C@@H](O)C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)CO ZINC000285388391 443965372 /nfs/dbraw/zinc/96/53/72/443965372.db2.gz SNGSRODGTFWSNN-ZWKOTPCHSA-N 2 2 335.492 1.262 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000285483209 444000909 /nfs/dbraw/zinc/00/09/09/444000909.db2.gz LNCAOSQSDRFBCY-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000281592314 443953802 /nfs/dbraw/zinc/95/38/02/443953802.db2.gz NHKQXLNVBAUESF-HZPDHXFCSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000281592314 443953805 /nfs/dbraw/zinc/95/38/05/443953805.db2.gz NHKQXLNVBAUESF-HZPDHXFCSA-N 2 2 342.443 1.459 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000293219579 443954951 /nfs/dbraw/zinc/95/49/51/443954951.db2.gz AHIJTWDRGQSNND-QGZVFWFLSA-N 2 2 346.454 1.649 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299450114 444049658 /nfs/dbraw/zinc/04/96/58/444049658.db2.gz WPEKFHIHMKUFRQ-HIFRSBDPSA-N 2 2 341.415 1.358 20 0 EDADLP C[C@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[C@H]1[NH+](C)C ZINC000554542775 320953433 /nfs/dbraw/zinc/95/34/33/320953433.db2.gz PJCDAMQSCABZRN-DZGCQCFKSA-N 2 2 328.420 1.740 20 0 EDADLP CC(C)C[NH+]1CCC(Nc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000555339102 320965867 /nfs/dbraw/zinc/96/58/67/320965867.db2.gz TVUWHWJXKHDINB-UHFFFAOYSA-N 2 2 343.475 1.410 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H](C)[NH+]3CC(C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000557456589 321004772 /nfs/dbraw/zinc/00/47/72/321004772.db2.gz ISIQDPGBQVOPLD-MRXNPFEDSA-N 2 2 345.491 1.897 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1)[NH+]1CCSCC1 ZINC000557713424 321005930 /nfs/dbraw/zinc/00/59/30/321005930.db2.gz BFXDGAGQBRTCHQ-ZDUSSCGKSA-N 2 2 331.445 1.702 20 0 EDADLP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000562461193 321059062 /nfs/dbraw/zinc/05/90/62/321059062.db2.gz GLWOGPZAHMMRNX-UHFFFAOYSA-N 2 2 331.420 1.278 20 0 EDADLP COc1cccc(Cl)c1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000562814165 321077882 /nfs/dbraw/zinc/07/78/82/321077882.db2.gz PZYGSXGQEOMTAN-LLVKDONJSA-N 2 2 326.828 1.133 20 0 EDADLP COC[C@@]1(CNC(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)CCC[NH2+]1 ZINC000562816700 321078488 /nfs/dbraw/zinc/07/84/88/321078488.db2.gz RKAGUSVUTWVHJM-GUYCJALGSA-N 2 2 335.452 1.281 20 0 EDADLP O[C@]1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC[C@@H](C(F)(F)F)C1 ZINC000562960026 321084029 /nfs/dbraw/zinc/08/40/29/321084029.db2.gz IBZMFWKXWWPGLU-KBUPBQIOSA-N 2 2 336.398 1.827 20 0 EDADLP C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563101524 321095566 /nfs/dbraw/zinc/09/55/66/321095566.db2.gz HQGCWDWBDXVQCE-DOMZBBRYSA-N 2 2 343.393 1.985 20 0 EDADLP C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563101524 321095568 /nfs/dbraw/zinc/09/55/68/321095568.db2.gz HQGCWDWBDXVQCE-DOMZBBRYSA-N 2 2 343.393 1.985 20 0 EDADLP COCC[N@H+](C)CCOc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000563898332 321114991 /nfs/dbraw/zinc/11/49/91/321114991.db2.gz FHSXKGHJRHNDAP-UHFFFAOYSA-N 3 2 346.475 1.975 20 0 EDADLP COCC[N@@H+](C)CCOc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000563898332 321114992 /nfs/dbraw/zinc/11/49/92/321114992.db2.gz FHSXKGHJRHNDAP-UHFFFAOYSA-N 3 2 346.475 1.975 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000563929517 321115780 /nfs/dbraw/zinc/11/57/80/321115780.db2.gz MKIZFXKRUDNNHC-UHFFFAOYSA-N 2 2 343.431 1.607 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)C2)C1 ZINC000564393695 321128655 /nfs/dbraw/zinc/12/86/55/321128655.db2.gz OQJCVQSUEVBUGP-IBGZPJMESA-N 2 2 343.475 1.788 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000564585204 321136399 /nfs/dbraw/zinc/13/63/99/321136399.db2.gz KKMKMAQHGBEAGR-CYBMUJFWSA-N 2 2 331.420 1.240 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000564585204 321136401 /nfs/dbraw/zinc/13/64/01/321136401.db2.gz KKMKMAQHGBEAGR-CYBMUJFWSA-N 2 2 331.420 1.240 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)CC1 ZINC000564736968 321144597 /nfs/dbraw/zinc/14/45/97/321144597.db2.gz QRTAKEAJGDTAQF-MRXNPFEDSA-N 3 2 347.507 1.584 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)ccn12 ZINC000565551289 321191578 /nfs/dbraw/zinc/19/15/78/321191578.db2.gz YJSMAHIOGHIWRS-UHFFFAOYSA-N 2 2 343.475 1.789 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC(C)(C)CCN3CC[NH+](C)CC3)ccn12 ZINC000565551289 321191580 /nfs/dbraw/zinc/19/15/80/321191580.db2.gz YJSMAHIOGHIWRS-UHFFFAOYSA-N 2 2 343.475 1.789 20 0 EDADLP Clc1cnccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000565604864 321193622 /nfs/dbraw/zinc/19/36/22/321193622.db2.gz ZFUHRWWWDSYZQH-UHFFFAOYSA-N 2 2 332.839 1.809 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000566303553 321226052 /nfs/dbraw/zinc/22/60/52/321226052.db2.gz CGKWVGYXOWKWCT-UHFFFAOYSA-N 2 2 329.448 1.230 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000566303553 321226054 /nfs/dbraw/zinc/22/60/54/321226054.db2.gz CGKWVGYXOWKWCT-UHFFFAOYSA-N 2 2 329.448 1.230 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000566416983 321229082 /nfs/dbraw/zinc/22/90/82/321229082.db2.gz LYCJTICRZPGREE-VQIMIIECSA-N 2 2 336.476 1.944 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000566416983 321229083 /nfs/dbraw/zinc/22/90/83/321229083.db2.gz LYCJTICRZPGREE-VQIMIIECSA-N 2 2 336.476 1.944 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000566416983 321229085 /nfs/dbraw/zinc/22/90/85/321229085.db2.gz LYCJTICRZPGREE-VQIMIIECSA-N 2 2 336.476 1.944 20 0 EDADLP 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CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000290539132 444293227 /nfs/dbraw/zinc/29/32/27/444293227.db2.gz XABKYALZBLSNLG-CYBMUJFWSA-N 2 2 345.447 1.818 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000290539132 444293228 /nfs/dbraw/zinc/29/32/28/444293228.db2.gz XABKYALZBLSNLG-CYBMUJFWSA-N 2 2 345.447 1.818 20 0 EDADLP C[C@@H](NC(=O)C(=O)NCCCNc1cccc[nH+]1)C(C)(C)C[NH+](C)C ZINC000340511350 444419429 /nfs/dbraw/zinc/41/94/29/444419429.db2.gz KYOIRQFTNNCGLD-CQSZACIVSA-N 2 2 349.479 1.092 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000579098713 321882392 /nfs/dbraw/zinc/88/23/92/321882392.db2.gz NDUZCUNOJMXSKW-NVXWUHKLSA-N 2 2 346.475 1.520 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328720441 444440057 /nfs/dbraw/zinc/44/00/57/444440057.db2.gz QOUUSODYDVKRQE-HOTGVXAUSA-N 2 2 332.448 1.016 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC(C)(C)c3noc(C[NH+](C)C)n3)ccn12 ZINC000579729515 321966715 /nfs/dbraw/zinc/96/67/15/321966715.db2.gz OTFZZXQUOOXNSH-UHFFFAOYSA-N 2 2 342.403 1.752 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(C)[nH+]1 ZINC000331619760 444480640 /nfs/dbraw/zinc/48/06/40/444480640.db2.gz FAXNMYICZIECNK-DLBZAZTESA-N 2 2 344.459 1.257 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc(C)[nH+]1 ZINC000331619760 444480642 /nfs/dbraw/zinc/48/06/42/444480642.db2.gz FAXNMYICZIECNK-DLBZAZTESA-N 2 2 344.459 1.257 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)C)c2cc1C ZINC000580063906 322003683 /nfs/dbraw/zinc/00/36/83/322003683.db2.gz AOZVAMSGZONICD-HNNXBMFYSA-N 2 2 346.475 1.766 20 0 EDADLP CC(C)C[NH+]1CCC(NC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000580065384 322004102 /nfs/dbraw/zinc/00/41/02/322004102.db2.gz USHVKSWAQVJXJG-BQFCYCMXSA-N 2 2 327.513 1.167 20 0 EDADLP CCn1nc(C)c([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c1C ZINC000580304783 322033697 /nfs/dbraw/zinc/03/36/97/322033697.db2.gz XWBMZHQMWXFTKM-NSHDSACASA-N 2 2 331.468 1.956 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH2+][C@H](c3ccncc3)C1)C2 ZINC000580686625 322081411 /nfs/dbraw/zinc/08/14/11/322081411.db2.gz SHSZEAVIYHPADK-RDJZCZTQSA-N 2 2 325.416 1.322 20 0 EDADLP Cc1cccc2c1OC[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)C2 ZINC000581186818 322146545 /nfs/dbraw/zinc/14/65/45/322146545.db2.gz DIEDBZYDJQQLEI-ONIAQPFYSA-N 2 2 334.460 1.358 20 0 EDADLP COCC[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000581426868 322176212 /nfs/dbraw/zinc/17/62/12/322176212.db2.gz NFAWIGTXTXUQDL-UHFFFAOYSA-N 2 2 326.466 1.550 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCC2CC[NH+](CC(F)F)CC2)n1 ZINC000581617184 322200619 /nfs/dbraw/zinc/20/06/19/322200619.db2.gz LMRNHNWGAOAGMR-UHFFFAOYSA-N 2 2 343.422 1.152 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000581820441 322220102 /nfs/dbraw/zinc/22/01/02/322220102.db2.gz GIDOPVPJDJNNJG-CQSZACIVSA-N 2 2 326.466 1.149 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)[C@@H](C)C1 ZINC000329277126 444519228 /nfs/dbraw/zinc/51/92/28/444519228.db2.gz JDPHVKDSKGPPBM-LBPRGKRZSA-N 2 2 330.436 1.389 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)[C@@H](C)C1 ZINC000329277126 444519232 /nfs/dbraw/zinc/51/92/32/444519232.db2.gz JDPHVKDSKGPPBM-LBPRGKRZSA-N 2 2 330.436 1.389 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)C2 ZINC000329332639 444538512 /nfs/dbraw/zinc/53/85/12/444538512.db2.gz WTDFCKJZFBKBML-QWHCGFSZSA-N 2 2 325.478 1.662 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000340865169 444549455 /nfs/dbraw/zinc/54/94/55/444549455.db2.gz JFANYHLIORYZOT-INIZCTEOSA-N 2 2 329.448 2.352 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[N@@H+]1C1CC1 ZINC000332985620 444621703 /nfs/dbraw/zinc/62/17/03/444621703.db2.gz CLUHNOBJYZATGI-QWHCGFSZSA-N 2 2 337.468 1.253 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C[N@H+]1C1CC1 ZINC000332985620 444621709 /nfs/dbraw/zinc/62/17/09/444621709.db2.gz CLUHNOBJYZATGI-QWHCGFSZSA-N 2 2 337.468 1.253 20 0 EDADLP C[N@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CC[NH+](CCO)CC1 ZINC000338310447 444624157 /nfs/dbraw/zinc/62/41/57/444624157.db2.gz XPSIZRGPKVEDDX-KRWDZBQOSA-N 2 2 345.487 1.537 20 0 EDADLP C[N@@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CC[NH+](CCO)CC1 ZINC000338310447 444624160 /nfs/dbraw/zinc/62/41/60/444624160.db2.gz XPSIZRGPKVEDDX-KRWDZBQOSA-N 2 2 345.487 1.537 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)C1 ZINC000342366026 444658490 /nfs/dbraw/zinc/65/84/90/444658490.db2.gz HJOJQDBNCCMOFP-QAPCUYQASA-N 2 2 349.450 1.752 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)C1 ZINC000342366026 444658493 /nfs/dbraw/zinc/65/84/93/444658493.db2.gz HJOJQDBNCCMOFP-QAPCUYQASA-N 2 2 349.450 1.752 20 0 EDADLP CC[N@H+](CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1)C1CC1 ZINC000338381979 444665119 /nfs/dbraw/zinc/66/51/19/444665119.db2.gz FCFXBEQGSZIACI-IBGZPJMESA-N 2 2 345.487 1.969 20 0 EDADLP CC[N@@H+](CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1)C1CC1 ZINC000338381979 444665120 /nfs/dbraw/zinc/66/51/20/444665120.db2.gz FCFXBEQGSZIACI-IBGZPJMESA-N 2 2 345.487 1.969 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343925201 444673315 /nfs/dbraw/zinc/67/33/15/444673315.db2.gz NVIOLCFUGUJFFQ-YESZJQIVSA-N 2 2 338.540 1.638 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343925201 444673318 /nfs/dbraw/zinc/67/33/18/444673318.db2.gz NVIOLCFUGUJFFQ-YESZJQIVSA-N 2 2 338.540 1.638 20 0 EDADLP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@H]3CCn4cc[nH+]c4C3)n1)OC2 ZINC000329672541 444674197 /nfs/dbraw/zinc/67/41/97/444674197.db2.gz NNWFHAPLNJNLTM-GDZNZVCISA-N 2 2 329.404 1.922 20 0 EDADLP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@H]3CCn4cc[nH+]c4C3)n1)OC2 ZINC000329672541 444674202 /nfs/dbraw/zinc/67/42/02/444674202.db2.gz NNWFHAPLNJNLTM-GDZNZVCISA-N 2 2 329.404 1.922 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000341101170 444674571 /nfs/dbraw/zinc/67/45/71/444674571.db2.gz BBNPGLYBVOMGLM-CRAIPNDOSA-N 2 2 331.460 1.333 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000341101170 444674572 /nfs/dbraw/zinc/67/45/72/444674572.db2.gz BBNPGLYBVOMGLM-CRAIPNDOSA-N 2 2 331.460 1.333 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333841053 444702207 /nfs/dbraw/zinc/70/22/07/444702207.db2.gz VBDYPRRNPOMMTR-UHFFFAOYSA-N 2 2 345.491 1.937 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)C[C@@H](C)O1 ZINC000343959136 444694920 /nfs/dbraw/zinc/69/49/20/444694920.db2.gz GXHJXEDXAGBOEF-PNKHAZJDSA-N 2 2 325.497 1.015 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)C[C@@H](C)O1 ZINC000343959136 444694922 /nfs/dbraw/zinc/69/49/22/444694922.db2.gz GXHJXEDXAGBOEF-PNKHAZJDSA-N 2 2 325.497 1.015 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000336853451 444803044 /nfs/dbraw/zinc/80/30/44/444803044.db2.gz HOMMBPSFHCBAOO-NSHDSACASA-N 2 2 327.450 1.778 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000336853451 444803049 /nfs/dbraw/zinc/80/30/49/444803049.db2.gz HOMMBPSFHCBAOO-NSHDSACASA-N 2 2 327.450 1.778 20 0 EDADLP CC(C)(C)[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000344172342 444819677 /nfs/dbraw/zinc/81/96/77/444819677.db2.gz UCFORRRXKAHBHH-OAHLLOKOSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000344172342 444819681 /nfs/dbraw/zinc/81/96/81/444819681.db2.gz UCFORRRXKAHBHH-OAHLLOKOSA-N 2 2 325.497 1.581 20 0 EDADLP CCC1(CC)[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)[C@@H](C)[C@@H]1OC ZINC000344108423 444785861 /nfs/dbraw/zinc/78/58/61/444785861.db2.gz RSWXOZMSXHEBMR-FPCVCCKLSA-N 2 2 325.497 1.756 20 0 EDADLP CCC1(CC)[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)[C@@H](C)[C@@H]1OC ZINC000344108423 444785867 /nfs/dbraw/zinc/78/58/67/444785867.db2.gz RSWXOZMSXHEBMR-FPCVCCKLSA-N 2 2 325.497 1.756 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000330084172 444838787 /nfs/dbraw/zinc/83/87/87/444838787.db2.gz KYMNYODHLXLISU-HOTGVXAUSA-N 2 2 331.464 1.384 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000330084172 444838790 /nfs/dbraw/zinc/83/87/90/444838790.db2.gz KYMNYODHLXLISU-HOTGVXAUSA-N 2 2 331.464 1.384 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000330084172 444838794 /nfs/dbraw/zinc/83/87/94/444838794.db2.gz KYMNYODHLXLISU-HOTGVXAUSA-N 2 2 331.464 1.384 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342764475 444854972 /nfs/dbraw/zinc/85/49/72/444854972.db2.gz IDIBEHLXEYBBTE-LBPRGKRZSA-N 2 2 338.333 1.872 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N(C)CCC(F)(F)F ZINC000341515799 444871240 /nfs/dbraw/zinc/87/12/40/444871240.db2.gz UOWOFDGCOLARDC-UHFFFAOYSA-N 2 2 338.418 1.948 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N(C)CCC(F)(F)F ZINC000341515799 444871243 /nfs/dbraw/zinc/87/12/43/444871243.db2.gz UOWOFDGCOLARDC-UHFFFAOYSA-N 2 2 338.418 1.948 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC[N@@H+]1C ZINC000344293804 444884216 /nfs/dbraw/zinc/88/42/16/444884216.db2.gz PIBBEZNGSFLJBX-NVXWUHKLSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC[N@H+]1C ZINC000344293804 444884220 /nfs/dbraw/zinc/88/42/20/444884220.db2.gz PIBBEZNGSFLJBX-NVXWUHKLSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000341573120 444901795 /nfs/dbraw/zinc/90/17/95/444901795.db2.gz UQQHAKYZYYRYTF-ZNMIVQPWSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000341573120 444901801 /nfs/dbraw/zinc/90/18/01/444901801.db2.gz UQQHAKYZYYRYTF-ZNMIVQPWSA-N 2 2 326.485 1.077 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337068983 444927910 /nfs/dbraw/zinc/92/79/10/444927910.db2.gz LWMPQDNOSXNDQD-HZPDHXFCSA-N 2 2 332.448 1.287 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337068983 444927915 /nfs/dbraw/zinc/92/79/15/444927915.db2.gz LWMPQDNOSXNDQD-HZPDHXFCSA-N 2 2 332.448 1.287 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000341695919 444953557 /nfs/dbraw/zinc/95/35/57/444953557.db2.gz KZJIKFHBFSSQQA-OLZOCXBDSA-N 2 2 327.494 1.908 20 0 EDADLP Cc1cc(C[N@H+]2C[C@H](F)C[C@@H]2CNc2cc[nH+]c(N(C)C)n2)on1 ZINC000342986929 444990212 /nfs/dbraw/zinc/99/02/12/444990212.db2.gz DFVFSRRKNNCLJQ-CHWSQXEVSA-N 2 2 334.399 1.864 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@H](F)C[C@@H]2CNc2cc[nH+]c(N(C)C)n2)on1 ZINC000342986929 444990215 /nfs/dbraw/zinc/99/02/15/444990215.db2.gz DFVFSRRKNNCLJQ-CHWSQXEVSA-N 2 2 334.399 1.864 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341767853 444992453 /nfs/dbraw/zinc/99/24/53/444992453.db2.gz DJLQQSBVHPCLDK-PKOBYXMFSA-N 2 2 344.503 1.528 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341767853 444992456 /nfs/dbraw/zinc/99/24/56/444992456.db2.gz DJLQQSBVHPCLDK-PKOBYXMFSA-N 2 2 344.503 1.528 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@H+](CC)C[C@H]1C)[NH+]1CCOCC1 ZINC000341819744 445016022 /nfs/dbraw/zinc/01/60/22/445016022.db2.gz HGASZRLJKCBCOS-NVXWUHKLSA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCOCC1 ZINC000341819744 445016028 /nfs/dbraw/zinc/01/60/28/445016028.db2.gz HGASZRLJKCBCOS-NVXWUHKLSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000341918944 445071975 /nfs/dbraw/zinc/07/19/75/445071975.db2.gz GRMJILZQMHRBPB-NXHRZFHOSA-N 2 2 346.475 1.231 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000341918944 445071978 /nfs/dbraw/zinc/07/19/78/445071978.db2.gz GRMJILZQMHRBPB-NXHRZFHOSA-N 2 2 346.475 1.231 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000341918944 445071982 /nfs/dbraw/zinc/07/19/82/445071982.db2.gz GRMJILZQMHRBPB-NXHRZFHOSA-N 2 2 346.475 1.231 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCC[C@H]1C ZINC000343133862 445086359 /nfs/dbraw/zinc/08/63/59/445086359.db2.gz SGZSUGUJIKTULG-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCC[C@H]1C ZINC000343133862 445086364 /nfs/dbraw/zinc/08/63/64/445086364.db2.gz SGZSUGUJIKTULG-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000343133862 445086368 /nfs/dbraw/zinc/08/63/68/445086368.db2.gz SGZSUGUJIKTULG-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000343133862 445086372 /nfs/dbraw/zinc/08/63/72/445086372.db2.gz SGZSUGUJIKTULG-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000337549286 445133197 /nfs/dbraw/zinc/13/31/97/445133197.db2.gz QMPVABMHYYVVLH-IRXDYDNUSA-N 2 2 333.480 1.290 20 0 EDADLP CO[C@H]1CCC[C@@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000342019660 445127682 /nfs/dbraw/zinc/12/76/82/445127682.db2.gz ZHPRGVJJGDWKBT-WBVHZDCISA-N 2 2 340.512 1.469 20 0 EDADLP CO[C@H]1CCC[C@@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000342019660 445127686 /nfs/dbraw/zinc/12/76/86/445127686.db2.gz ZHPRGVJJGDWKBT-WBVHZDCISA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CCC[N@H+]1C ZINC000343424049 445219946 /nfs/dbraw/zinc/21/99/46/445219946.db2.gz CEEXTPOLPQZLPJ-BPQIPLTHSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH+]1C ZINC000343424049 445219948 /nfs/dbraw/zinc/21/99/48/445219948.db2.gz CEEXTPOLPQZLPJ-BPQIPLTHSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH+]1C ZINC000343424049 445219949 /nfs/dbraw/zinc/21/99/49/445219949.db2.gz CEEXTPOLPQZLPJ-BPQIPLTHSA-N 2 2 331.460 1.486 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000343397626 445215854 /nfs/dbraw/zinc/21/58/54/445215854.db2.gz UARXSYSDHKYTRV-BQFCYCMXSA-N 2 2 348.491 1.699 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000343397626 445215855 /nfs/dbraw/zinc/21/58/55/445215855.db2.gz UARXSYSDHKYTRV-BQFCYCMXSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc[nH+]1 ZINC000347028313 445229962 /nfs/dbraw/zinc/22/99/62/445229962.db2.gz SFDODSWBGWIWLU-UHFFFAOYSA-N 2 2 327.436 1.589 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC000343543811 445241234 /nfs/dbraw/zinc/24/12/34/445241234.db2.gz WMYXKFIUYVAKPF-UONOGXRCSA-N 2 2 326.441 1.710 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC000343543811 445241237 /nfs/dbraw/zinc/24/12/37/445241237.db2.gz WMYXKFIUYVAKPF-UONOGXRCSA-N 2 2 326.441 1.710 20 0 EDADLP CC(C)[C@H](C[NH2+][C@H](c1nnc[nH]1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000343512454 445236572 /nfs/dbraw/zinc/23/65/72/445236572.db2.gz PBEQFZPENHKXNP-ROUUACIJSA-N 2 2 342.491 1.756 20 0 EDADLP CN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@H]1CCC[N@H+](C)C1 ZINC000343522264 445238199 /nfs/dbraw/zinc/23/81/99/445238199.db2.gz IHJHTVBUFTXTKN-INIZCTEOSA-N 2 2 332.448 1.080 20 0 EDADLP CN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@H]1CCC[N@@H+](C)C1 ZINC000343522264 445238200 /nfs/dbraw/zinc/23/82/00/445238200.db2.gz IHJHTVBUFTXTKN-INIZCTEOSA-N 2 2 332.448 1.080 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCC[C@H](C)C1 ZINC000343619833 445266660 /nfs/dbraw/zinc/26/66/60/445266660.db2.gz KOAVNDJBIFIGTD-DLBZAZTESA-N 2 2 325.497 1.535 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCC[C@H](C)C1 ZINC000343619833 445266665 /nfs/dbraw/zinc/26/66/65/445266665.db2.gz KOAVNDJBIFIGTD-DLBZAZTESA-N 2 2 325.497 1.535 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102382 445269170 /nfs/dbraw/zinc/26/91/70/445269170.db2.gz NKJPXYNRTUGVCS-YESZJQIVSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102382 445269171 /nfs/dbraw/zinc/26/91/71/445269171.db2.gz NKJPXYNRTUGVCS-YESZJQIVSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348102382 445269174 /nfs/dbraw/zinc/26/91/74/445269174.db2.gz NKJPXYNRTUGVCS-YESZJQIVSA-N 3 2 337.487 1.749 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348102382 445269177 /nfs/dbraw/zinc/26/91/77/445269177.db2.gz NKJPXYNRTUGVCS-YESZJQIVSA-N 3 2 337.487 1.749 20 0 EDADLP CN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)C1CC[NH+](C)CC1 ZINC000348336736 445260779 /nfs/dbraw/zinc/26/07/79/445260779.db2.gz HEBHYXIUHDRENQ-UHFFFAOYSA-N 2 2 332.448 1.080 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]2c2ccccc2)C1 ZINC000348526145 445314562 /nfs/dbraw/zinc/31/45/62/445314562.db2.gz MCUSXZNPJNGMHC-RTBURBONSA-N 2 2 345.487 1.906 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H]2c2ccccc2)C1 ZINC000348526145 445314565 /nfs/dbraw/zinc/31/45/65/445314565.db2.gz MCUSXZNPJNGMHC-RTBURBONSA-N 2 2 345.487 1.906 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)C1 ZINC000348526145 445314568 /nfs/dbraw/zinc/31/45/68/445314568.db2.gz MCUSXZNPJNGMHC-RTBURBONSA-N 2 2 345.487 1.906 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)C1 ZINC000348526145 445314571 /nfs/dbraw/zinc/31/45/71/445314571.db2.gz MCUSXZNPJNGMHC-RTBURBONSA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000348224305 445321647 /nfs/dbraw/zinc/32/16/47/445321647.db2.gz JCUCVHQQMAGERA-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000348224305 445321649 /nfs/dbraw/zinc/32/16/49/445321649.db2.gz JCUCVHQQMAGERA-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H](C)NC(=O)C[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348110212 445272993 /nfs/dbraw/zinc/27/29/93/445272993.db2.gz BPQSCSDAKWKEJP-ZNMIVQPWSA-N 2 2 339.459 1.179 20 0 EDADLP CC[C@H](C)NC(=O)C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348110212 445272996 /nfs/dbraw/zinc/27/29/96/445272996.db2.gz BPQSCSDAKWKEJP-ZNMIVQPWSA-N 2 2 339.459 1.179 20 0 EDADLP CC(C)OC(=O)CC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348114760 445275457 /nfs/dbraw/zinc/27/54/57/445275457.db2.gz XSNGKQDNDHTKJA-LSDHHAIUSA-N 2 2 340.443 1.606 20 0 EDADLP CC(C)OC(=O)CC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348114760 445275461 /nfs/dbraw/zinc/27/54/61/445275461.db2.gz XSNGKQDNDHTKJA-LSDHHAIUSA-N 2 2 340.443 1.606 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(F)cn1 ZINC000348120839 445278834 /nfs/dbraw/zinc/27/88/34/445278834.db2.gz ITHUTGCBUZCICP-KGLIPLIRSA-N 2 2 325.428 1.973 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716128 445289182 /nfs/dbraw/zinc/28/91/82/445289182.db2.gz MMXJTMBSUPNKLM-MSOLQXFVSA-N 2 2 338.879 1.774 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716128 445289183 /nfs/dbraw/zinc/28/91/83/445289183.db2.gz MMXJTMBSUPNKLM-MSOLQXFVSA-N 2 2 338.879 1.774 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716128 445289184 /nfs/dbraw/zinc/28/91/84/445289184.db2.gz MMXJTMBSUPNKLM-MSOLQXFVSA-N 2 2 338.879 1.774 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)C1CC1 ZINC000351716128 445289186 /nfs/dbraw/zinc/28/91/86/445289186.db2.gz MMXJTMBSUPNKLM-MSOLQXFVSA-N 2 2 338.879 1.774 20 0 EDADLP Cc1cc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)no1 ZINC000348158203 445294112 /nfs/dbraw/zinc/29/41/12/445294112.db2.gz KIZOHVQCVOBJFE-HIFRSBDPSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1cc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2c2cc[nH+]c(N(C)C)n2)no1 ZINC000348158203 445294116 /nfs/dbraw/zinc/29/41/16/445294116.db2.gz KIZOHVQCVOBJFE-HIFRSBDPSA-N 2 2 348.426 1.888 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)ccn1 ZINC000348640251 445342611 /nfs/dbraw/zinc/34/26/11/445342611.db2.gz IDKUBKUILGOBLU-MRXNPFEDSA-N 2 2 348.491 1.537 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)ccn1 ZINC000348640251 445342615 /nfs/dbraw/zinc/34/26/15/445342615.db2.gz IDKUBKUILGOBLU-MRXNPFEDSA-N 2 2 348.491 1.537 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000351849769 445342827 /nfs/dbraw/zinc/34/28/27/445342827.db2.gz HGKSHDPHAWLZDS-KGLIPLIRSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000351849769 445342829 /nfs/dbraw/zinc/34/28/29/445342829.db2.gz HGKSHDPHAWLZDS-KGLIPLIRSA-N 2 2 330.432 1.421 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000351861003 445346263 /nfs/dbraw/zinc/34/62/63/445346263.db2.gz KIFKLODYPSOOOK-JKSUJKDBSA-N 2 2 346.475 1.336 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000351861003 445346266 /nfs/dbraw/zinc/34/62/66/445346266.db2.gz KIFKLODYPSOOOK-JKSUJKDBSA-N 2 2 346.475 1.336 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000351862766 445346869 /nfs/dbraw/zinc/34/68/69/445346869.db2.gz QKMBMUBLCPYZHL-GOEBONIOSA-N 3 2 336.505 1.061 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000351862766 445346871 /nfs/dbraw/zinc/34/68/71/445346871.db2.gz QKMBMUBLCPYZHL-GOEBONIOSA-N 3 2 336.505 1.061 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000351899632 445363377 /nfs/dbraw/zinc/36/33/77/445363377.db2.gz SYNNREQRRDYFEP-UHFFFAOYSA-N 2 2 344.459 1.914 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357076206 445410039 /nfs/dbraw/zinc/41/00/39/445410039.db2.gz IGUBPMQQRGYPIX-UPJWGTAASA-N 2 2 334.395 1.404 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357076206 445410043 /nfs/dbraw/zinc/41/00/43/445410043.db2.gz IGUBPMQQRGYPIX-UPJWGTAASA-N 2 2 334.395 1.404 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000362506721 445416965 /nfs/dbraw/zinc/41/69/65/445416965.db2.gz NEQUYUCIDRJFOB-MRXNPFEDSA-N 2 2 333.480 1.185 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000348861817 445420375 /nfs/dbraw/zinc/42/03/75/445420375.db2.gz RLFPFPLYVQUGGS-UHFFFAOYSA-N 2 2 348.466 1.107 20 0 EDADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1cccc(Cl)c1 ZINC000348865003 445421550 /nfs/dbraw/zinc/42/15/50/445421550.db2.gz GXYCRZQQALUQTM-CABCVRRESA-N 2 2 325.840 1.390 20 0 EDADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1cccc(Cl)c1 ZINC000348865003 445421554 /nfs/dbraw/zinc/42/15/54/445421554.db2.gz GXYCRZQQALUQTM-CABCVRRESA-N 2 2 325.840 1.390 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357094284 445425164 /nfs/dbraw/zinc/42/51/64/445425164.db2.gz ZGLLXYSKYGOEIZ-MSOLQXFVSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357094284 445425168 /nfs/dbraw/zinc/42/51/68/445425168.db2.gz ZGLLXYSKYGOEIZ-MSOLQXFVSA-N 2 2 345.487 1.682 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000348878392 445426647 /nfs/dbraw/zinc/42/66/47/445426647.db2.gz IWFBJTJCCQTYGP-QAPCUYQASA-N 2 2 331.460 1.270 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000348878392 445426652 /nfs/dbraw/zinc/42/66/52/445426652.db2.gz IWFBJTJCCQTYGP-QAPCUYQASA-N 2 2 331.460 1.270 20 0 EDADLP COCC[NH+]1CC[C@H](NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000348878392 445426656 /nfs/dbraw/zinc/42/66/56/445426656.db2.gz IWFBJTJCCQTYGP-QAPCUYQASA-N 2 2 331.460 1.270 20 0 EDADLP COCC[NH+]1CC[C@H](NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000348878392 445426660 /nfs/dbraw/zinc/42/66/60/445426660.db2.gz IWFBJTJCCQTYGP-QAPCUYQASA-N 2 2 331.460 1.270 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357100524 445428309 /nfs/dbraw/zinc/42/83/09/445428309.db2.gz GEXMGBYVRMWJME-DLBZAZTESA-N 2 2 331.460 1.631 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357100524 445428311 /nfs/dbraw/zinc/42/83/11/445428311.db2.gz GEXMGBYVRMWJME-DLBZAZTESA-N 2 2 331.460 1.631 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2COCC[C@@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000362449007 445387210 /nfs/dbraw/zinc/38/72/10/445387210.db2.gz NUPJYJXTCDBHPI-AEFFLSMTSA-N 2 2 347.459 1.425 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2COCC[C@@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000362449007 445387215 /nfs/dbraw/zinc/38/72/15/445387215.db2.gz NUPJYJXTCDBHPI-AEFFLSMTSA-N 2 2 347.459 1.425 20 0 EDADLP CCCCc1[nH]c2ccc(NC(=O)CNC(=O)[C@H]([NH3+])C(C)C)cc2[nH+]1 ZINC000352079496 445478484 /nfs/dbraw/zinc/47/84/84/445478484.db2.gz LDTRTZHMSBCCEX-QGZVFWFLSA-N 2 2 345.447 1.944 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357118498 445437645 /nfs/dbraw/zinc/43/76/45/445437645.db2.gz QMHLPFPUXGQGOB-OAHLLOKOSA-N 2 2 329.404 1.108 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357118498 445437648 /nfs/dbraw/zinc/43/76/48/445437648.db2.gz QMHLPFPUXGQGOB-OAHLLOKOSA-N 2 2 329.404 1.108 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C2)CC1 ZINC000355313372 445454162 /nfs/dbraw/zinc/45/41/62/445454162.db2.gz HJLKPMZRMUQCLH-OALUTQOASA-N 2 2 349.519 1.678 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C2)CC1 ZINC000355313372 445454166 /nfs/dbraw/zinc/45/41/66/445454166.db2.gz HJLKPMZRMUQCLH-OALUTQOASA-N 2 2 349.519 1.678 20 0 EDADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NC1(c2ccccc2)CCC1 ZINC000352504840 445533701 /nfs/dbraw/zinc/53/37/01/445533701.db2.gz VGQMLJGUDGVBKD-GOSISDBHSA-N 2 2 342.487 1.162 20 0 EDADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826618 445568359 /nfs/dbraw/zinc/56/83/59/445568359.db2.gz OZCZWVZWQKXQLA-KGLIPLIRSA-N 2 2 334.464 1.929 20 0 EDADLP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826618 445568361 /nfs/dbraw/zinc/56/83/61/445568361.db2.gz OZCZWVZWQKXQLA-KGLIPLIRSA-N 2 2 334.464 1.929 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000362840201 445575298 /nfs/dbraw/zinc/57/52/98/445575298.db2.gz RYTHMPFMVLRHNJ-HNNXBMFYSA-N 2 2 346.456 1.799 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000362840201 445575303 /nfs/dbraw/zinc/57/53/03/445575303.db2.gz RYTHMPFMVLRHNJ-HNNXBMFYSA-N 2 2 346.456 1.799 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000358019863 445600237 /nfs/dbraw/zinc/60/02/37/445600237.db2.gz KJAHDLZFGUKQSU-WFXMFSGNSA-N 2 2 345.487 1.976 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000358019863 445600242 /nfs/dbraw/zinc/60/02/42/445600242.db2.gz KJAHDLZFGUKQSU-WFXMFSGNSA-N 2 2 345.487 1.976 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000356087069 445612599 /nfs/dbraw/zinc/61/25/99/445612599.db2.gz CFLAKVIDJWTHPX-NVXWUHKLSA-N 2 2 334.464 1.309 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000356087069 445612603 /nfs/dbraw/zinc/61/26/03/445612603.db2.gz CFLAKVIDJWTHPX-NVXWUHKLSA-N 2 2 334.464 1.309 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000353462332 445612719 /nfs/dbraw/zinc/61/27/19/445612719.db2.gz IQUFDXYVQYRZQY-ZIAGYGMSSA-N 2 2 326.400 1.936 20 0 EDADLP C[NH+](CCC[N@@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)Cc1ccco1 ZINC000353554398 445654435 /nfs/dbraw/zinc/65/44/35/445654435.db2.gz KDAPPNIYVQBTOD-HNNXBMFYSA-N 2 2 343.493 1.315 20 0 EDADLP C[NH+](CCC[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)Cc1ccco1 ZINC000353554398 445654438 /nfs/dbraw/zinc/65/44/38/445654438.db2.gz KDAPPNIYVQBTOD-HNNXBMFYSA-N 2 2 343.493 1.315 20 0 EDADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000353554398 445654440 /nfs/dbraw/zinc/65/44/40/445654440.db2.gz KDAPPNIYVQBTOD-HNNXBMFYSA-N 2 2 343.493 1.315 20 0 EDADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000353554398 445654446 /nfs/dbraw/zinc/65/44/46/445654446.db2.gz KDAPPNIYVQBTOD-HNNXBMFYSA-N 2 2 343.493 1.315 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353624579 445680581 /nfs/dbraw/zinc/68/05/81/445680581.db2.gz UBNDZOWXYAJICV-ZIAGYGMSSA-N 2 2 333.432 1.779 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000360330011 445697370 /nfs/dbraw/zinc/69/73/70/445697370.db2.gz QVUUTDFKCDTJBM-VQIMIIECSA-N 2 2 338.455 1.942 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000360330011 445697374 /nfs/dbraw/zinc/69/73/74/445697374.db2.gz QVUUTDFKCDTJBM-VQIMIIECSA-N 2 2 338.455 1.942 20 0 EDADLP CN(CCC[NH+]1CCCC1)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000358668230 445703721 /nfs/dbraw/zinc/70/37/21/445703721.db2.gz SDWZGCWOOQWEML-INIZCTEOSA-N 2 2 333.480 1.750 20 0 EDADLP CN(CCC[NH+]1CCCC1)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000358668230 445703725 /nfs/dbraw/zinc/70/37/25/445703725.db2.gz SDWZGCWOOQWEML-INIZCTEOSA-N 2 2 333.480 1.750 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000356278519 445713883 /nfs/dbraw/zinc/71/38/83/445713883.db2.gz LDHLRGGLJZSQMQ-CQSZACIVSA-N 2 2 337.468 1.321 20 0 EDADLP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353698614 445714166 /nfs/dbraw/zinc/71/41/66/445714166.db2.gz YEGPHIVDZWLXMJ-UHFFFAOYSA-N 2 2 339.443 1.056 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000356406571 445775253 /nfs/dbraw/zinc/77/52/53/445775253.db2.gz LYOGIZBDPUOHJI-UHFFFAOYSA-N 2 2 349.398 1.800 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]1 ZINC000358697406 445724162 /nfs/dbraw/zinc/72/41/62/445724162.db2.gz VGLJIKOGMFZHCR-RDJZCZTQSA-N 2 2 326.444 1.978 20 0 EDADLP Cc1nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000360876977 445737130 /nfs/dbraw/zinc/73/71/30/445737130.db2.gz MPDLLTLNCPVOCJ-XJKSGUPXSA-N 2 2 326.448 2.178 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000356374208 445758360 /nfs/dbraw/zinc/75/83/60/445758360.db2.gz NMOHGHCZWYJSCT-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000356374208 445758363 /nfs/dbraw/zinc/75/83/63/445758363.db2.gz NMOHGHCZWYJSCT-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000353794335 445759290 /nfs/dbraw/zinc/75/92/90/445759290.db2.gz HDUQLSROFUASGF-HNNXBMFYSA-N 2 2 344.459 1.914 20 0 EDADLP COCC[N@H+]1CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000353794335 445759294 /nfs/dbraw/zinc/75/92/94/445759294.db2.gz HDUQLSROFUASGF-HNNXBMFYSA-N 2 2 344.459 1.914 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000358762615 445762618 /nfs/dbraw/zinc/76/26/18/445762618.db2.gz YQIBPTUSDYTVFP-JKSUJKDBSA-N 2 2 342.447 1.071 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)C1 ZINC000358762615 445762623 /nfs/dbraw/zinc/76/26/23/445762623.db2.gz YQIBPTUSDYTVFP-JKSUJKDBSA-N 2 2 342.447 1.071 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356437645 445790424 /nfs/dbraw/zinc/79/04/24/445790424.db2.gz VZIDBGVKSXTDBG-VXGBXAGGSA-N 2 2 335.452 1.319 20 0 EDADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@@H](C(N)=O)c3ccccc3)CCC[N@@H+]2C)cn1 ZINC000363410195 445792981 /nfs/dbraw/zinc/79/29/81/445792981.db2.gz CLVBCXHRGLHEHL-KBAYOESNSA-N 2 2 341.459 1.619 20 0 EDADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@@H](C(N)=O)c3ccccc3)CCC[N@H+]2C)cn1 ZINC000363410195 445792985 /nfs/dbraw/zinc/79/29/85/445792985.db2.gz CLVBCXHRGLHEHL-KBAYOESNSA-N 2 2 341.459 1.619 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000361532825 445807793 /nfs/dbraw/zinc/80/77/93/445807793.db2.gz ZMJSJUZWXOTUKE-KRWDZBQOSA-N 2 2 326.400 1.439 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000358849516 445809314 /nfs/dbraw/zinc/80/93/14/445809314.db2.gz BPFJIENQTPMSDL-COXVUDFISA-N 2 2 335.423 1.047 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000354054700 445877566 /nfs/dbraw/zinc/87/75/66/445877566.db2.gz UULCXIVIWFJRAI-OAHLLOKOSA-N 2 2 345.447 1.232 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000354054700 445877570 /nfs/dbraw/zinc/87/75/70/445877570.db2.gz UULCXIVIWFJRAI-OAHLLOKOSA-N 2 2 345.447 1.232 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCc2c([nH+]cn2C)C1 ZINC000363539883 445850318 /nfs/dbraw/zinc/85/03/18/445850318.db2.gz PXYDGCLXSUDZKA-KFWWJZLASA-N 2 2 333.480 1.854 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1F ZINC000358944743 445859909 /nfs/dbraw/zinc/85/99/09/445859909.db2.gz YHHVXFXAXHJBRM-UHFFFAOYSA-N 2 2 331.395 1.809 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000582052399 325760832 /nfs/dbraw/zinc/76/08/32/325760832.db2.gz MSNBWKFDWCZUKM-CABCVRRESA-N 2 2 348.495 1.576 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOc3ccccc3)C2)CC1 ZINC000361767033 445927249 /nfs/dbraw/zinc/92/72/49/445927249.db2.gz LRBTVUQKBIZSBW-MRXNPFEDSA-N 2 2 346.475 1.533 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOc3ccccc3)C2)CC1 ZINC000361767033 445927260 /nfs/dbraw/zinc/92/72/60/445927260.db2.gz LRBTVUQKBIZSBW-MRXNPFEDSA-N 2 2 346.475 1.533 20 0 EDADLP COc1cc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)ccc1O ZINC000369114655 445936975 /nfs/dbraw/zinc/93/69/75/445936975.db2.gz DDTBNLSOCJRLTN-UHFFFAOYSA-N 2 2 333.432 1.139 20 0 EDADLP COc1cc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)ccc1O ZINC000369114655 445936983 /nfs/dbraw/zinc/93/69/83/445936983.db2.gz DDTBNLSOCJRLTN-UHFFFAOYSA-N 2 2 333.432 1.139 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359022533 445893696 /nfs/dbraw/zinc/89/36/96/445893696.db2.gz CFMJUEFGHLCLRJ-INIZCTEOSA-N 2 2 325.497 1.724 20 0 EDADLP O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000369093775 445925039 /nfs/dbraw/zinc/92/50/39/445925039.db2.gz FLCSNGSNRHIPOI-OAHLLOKOSA-N 2 2 338.477 1.066 20 0 EDADLP O=C1NCCCC[C@H]1[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000364865323 445962942 /nfs/dbraw/zinc/96/29/42/445962942.db2.gz HPKDTLHWIQLREB-OAHLLOKOSA-N 2 2 344.463 1.089 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354168141 445965668 /nfs/dbraw/zinc/96/56/68/445965668.db2.gz VMRMXRBVOMGGDW-LJQANCHMSA-N 2 2 347.507 1.483 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354168141 445965677 /nfs/dbraw/zinc/96/56/77/445965677.db2.gz VMRMXRBVOMGGDW-LJQANCHMSA-N 2 2 347.507 1.483 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354168141 445965685 /nfs/dbraw/zinc/96/56/85/445965685.db2.gz VMRMXRBVOMGGDW-LJQANCHMSA-N 2 2 347.507 1.483 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354168141 445965692 /nfs/dbraw/zinc/96/56/92/445965692.db2.gz VMRMXRBVOMGGDW-LJQANCHMSA-N 2 2 347.507 1.483 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(CO)c3)CC2)CC1 ZINC000366020179 445965942 /nfs/dbraw/zinc/96/59/42/445965942.db2.gz ZZGHGBLYDALTNJ-UHFFFAOYSA-N 2 2 331.460 1.467 20 0 EDADLP Cc1cnn(CCCCC[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000369189626 445979690 /nfs/dbraw/zinc/97/96/90/445979690.db2.gz WVKFUPNCPPIQPQ-LJQANCHMSA-N 2 2 349.523 1.310 20 0 EDADLP Cc1cnn(CCCCC[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000369189626 445979695 /nfs/dbraw/zinc/97/96/95/445979695.db2.gz WVKFUPNCPPIQPQ-LJQANCHMSA-N 2 2 349.523 1.310 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354204943 445999095 /nfs/dbraw/zinc/99/90/95/445999095.db2.gz HIAARFJTLXSXOW-GJZGRUSLSA-N 2 2 327.469 1.251 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354204943 445999100 /nfs/dbraw/zinc/99/91/00/445999100.db2.gz HIAARFJTLXSXOW-GJZGRUSLSA-N 2 2 327.469 1.251 20 0 EDADLP CCOC(=O)CCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354204943 445999104 /nfs/dbraw/zinc/99/91/04/445999104.db2.gz HIAARFJTLXSXOW-GJZGRUSLSA-N 2 2 327.469 1.251 20 0 EDADLP CCOC(=O)CCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354204943 445999109 /nfs/dbraw/zinc/99/91/09/445999109.db2.gz HIAARFJTLXSXOW-GJZGRUSLSA-N 2 2 327.469 1.251 20 0 EDADLP COc1ccc(O)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369253192 446025418 /nfs/dbraw/zinc/02/54/18/446025418.db2.gz HISZKUBMDLOPAL-ZDUSSCGKSA-N 2 2 333.432 1.299 20 0 EDADLP COc1ccc(O)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369253192 446025422 /nfs/dbraw/zinc/02/54/22/446025422.db2.gz HISZKUBMDLOPAL-ZDUSSCGKSA-N 2 2 333.432 1.299 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000354206630 446000429 /nfs/dbraw/zinc/00/04/29/446000429.db2.gz RIMLBEOGKWEIGU-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000354206630 446000432 /nfs/dbraw/zinc/00/04/32/446000432.db2.gz RIMLBEOGKWEIGU-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000354206630 446000434 /nfs/dbraw/zinc/00/04/34/446000434.db2.gz RIMLBEOGKWEIGU-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000354206630 446000437 /nfs/dbraw/zinc/00/04/37/446000437.db2.gz RIMLBEOGKWEIGU-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000583518368 326088757 /nfs/dbraw/zinc/08/87/57/326088757.db2.gz JIRWOKKXEUJUDJ-AWEZNQCLSA-N 2 2 328.420 1.884 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000583518368 326088761 /nfs/dbraw/zinc/08/87/61/326088761.db2.gz JIRWOKKXEUJUDJ-AWEZNQCLSA-N 2 2 328.420 1.884 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000583919222 326164911 /nfs/dbraw/zinc/16/49/11/326164911.db2.gz PNGBXKIYILTFLE-OAHLLOKOSA-N 2 2 347.463 1.322 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000583919222 326164913 /nfs/dbraw/zinc/16/49/13/326164913.db2.gz PNGBXKIYILTFLE-OAHLLOKOSA-N 2 2 347.463 1.322 20 0 EDADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000584005095 326182949 /nfs/dbraw/zinc/18/29/49/326182949.db2.gz HWDJXGJFLSOUGF-GUTXKFCHSA-N 2 2 341.415 1.350 20 0 EDADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000584005095 326182954 /nfs/dbraw/zinc/18/29/54/326182954.db2.gz HWDJXGJFLSOUGF-GUTXKFCHSA-N 2 2 341.415 1.350 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000584042863 326188727 /nfs/dbraw/zinc/18/87/27/326188727.db2.gz BHELBIUYABQIKM-LSDHHAIUSA-N 2 2 334.468 1.315 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000354267696 446063054 /nfs/dbraw/zinc/06/30/54/446063054.db2.gz VHTJDGNMKCZNFI-OAGGEKHMSA-N 2 2 348.495 1.147 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000354267696 446063057 /nfs/dbraw/zinc/06/30/57/446063057.db2.gz VHTJDGNMKCZNFI-OAGGEKHMSA-N 2 2 348.495 1.147 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000584162358 326210987 /nfs/dbraw/zinc/21/09/87/326210987.db2.gz CRCPMWFSASVXMN-MRXNPFEDSA-N 2 2 346.475 1.522 20 0 EDADLP CN1CCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)C1=O ZINC000373161042 446066607 /nfs/dbraw/zinc/06/66/07/446066607.db2.gz VIVXHXNBYBQCFP-UHFFFAOYSA-N 2 2 325.416 1.712 20 0 EDADLP C[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373174195 446074195 /nfs/dbraw/zinc/07/41/95/446074195.db2.gz ZNTTXCKJILQADM-CQSZACIVSA-N 2 2 334.508 1.985 20 0 EDADLP C[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373174195 446074202 /nfs/dbraw/zinc/07/42/02/446074202.db2.gz ZNTTXCKJILQADM-CQSZACIVSA-N 2 2 334.508 1.985 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@H]12 ZINC000351479283 446078505 /nfs/dbraw/zinc/07/85/05/446078505.db2.gz REEGDQWOFHBQEP-HYVNUMGLSA-N 3 2 348.516 1.061 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@H]12 ZINC000351479283 446078509 /nfs/dbraw/zinc/07/85/09/446078509.db2.gz REEGDQWOFHBQEP-HYVNUMGLSA-N 3 2 348.516 1.061 20 0 EDADLP C[C@H]1[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1(F)F ZINC000359305215 446138187 /nfs/dbraw/zinc/13/81/87/446138187.db2.gz AXLPLIQRYONDRZ-KBPBESRZSA-N 2 2 329.435 1.954 20 0 EDADLP COCCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365261587 446109921 /nfs/dbraw/zinc/10/99/21/446109921.db2.gz XODHGZCXSYYXAC-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP COCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365261587 446109925 /nfs/dbraw/zinc/10/99/25/446109925.db2.gz XODHGZCXSYYXAC-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP COC(=O)C1(c2ccccc2)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351518136 446120592 /nfs/dbraw/zinc/12/05/92/446120592.db2.gz LEADGUKQFLVENL-SFHVURJKSA-N 2 2 346.471 1.648 20 0 EDADLP COC(=O)C1(c2ccccc2)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351518136 446120599 /nfs/dbraw/zinc/12/05/99/446120599.db2.gz LEADGUKQFLVENL-SFHVURJKSA-N 2 2 346.471 1.648 20 0 EDADLP COC1CC[NH+](C2(CNc3cc[nH+]c(N(C)C)n3)CCCC2)CC1 ZINC000354341016 446126301 /nfs/dbraw/zinc/12/63/01/446126301.db2.gz UABZAMWQQGXHBR-UHFFFAOYSA-N 2 2 333.480 2.378 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000366284709 446128377 /nfs/dbraw/zinc/12/83/77/446128377.db2.gz RCZJXMIGKPLBOW-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000366284709 446128382 /nfs/dbraw/zinc/12/83/82/446128382.db2.gz RCZJXMIGKPLBOW-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366284709 446128388 /nfs/dbraw/zinc/12/83/88/446128388.db2.gz RCZJXMIGKPLBOW-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366284709 446128392 /nfs/dbraw/zinc/12/83/92/446128392.db2.gz RCZJXMIGKPLBOW-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP COCC[C@]1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[NH2+]C1 ZINC000366337832 446162603 /nfs/dbraw/zinc/16/26/03/446162603.db2.gz KUBZTEBFGQEKHP-GOSISDBHSA-N 2 2 332.448 1.314 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000365348955 446163307 /nfs/dbraw/zinc/16/33/07/446163307.db2.gz MITOHPJHZXWTRO-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000365348955 446163312 /nfs/dbraw/zinc/16/33/12/446163312.db2.gz MITOHPJHZXWTRO-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354384110 446165779 /nfs/dbraw/zinc/16/57/79/446165779.db2.gz HADSRHWWLPYRSQ-QGZVFWFLSA-N 2 2 341.459 1.227 20 0 EDADLP Cc1nnccc1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000362039779 446172821 /nfs/dbraw/zinc/17/28/21/446172821.db2.gz SXFXRJKEMHNTGF-XYPWUTKMSA-N 2 2 344.463 1.560 20 0 EDADLP Cc1nnccc1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000362039779 446172825 /nfs/dbraw/zinc/17/28/25/446172825.db2.gz SXFXRJKEMHNTGF-XYPWUTKMSA-N 2 2 344.463 1.560 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404056 446190783 /nfs/dbraw/zinc/19/07/83/446190783.db2.gz OGRGJMJMMREWNB-HOCLYGCPSA-N 2 2 338.496 1.950 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404056 446190790 /nfs/dbraw/zinc/19/07/90/446190790.db2.gz OGRGJMJMMREWNB-HOCLYGCPSA-N 2 2 338.496 1.950 20 0 EDADLP C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000354361639 446144977 /nfs/dbraw/zinc/14/49/77/446144977.db2.gz QUZBVLZHWWINIL-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC[NH2+]C(C)(C)C)c2)cc[nH+]1 ZINC000351555463 446154443 /nfs/dbraw/zinc/15/44/43/446154443.db2.gz AHXBYRHGKRJFSJ-UHFFFAOYSA-N 2 2 341.459 2.515 20 0 EDADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000365450229 446211889 /nfs/dbraw/zinc/21/18/89/446211889.db2.gz UQPDZQFAKUZQIZ-IBGZPJMESA-N 2 2 343.471 1.584 20 0 EDADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000365450229 446211896 /nfs/dbraw/zinc/21/18/96/446211896.db2.gz UQPDZQFAKUZQIZ-IBGZPJMESA-N 2 2 343.471 1.584 20 0 EDADLP CC[NH+](CC)CCC[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000370293433 446217532 /nfs/dbraw/zinc/21/75/32/446217532.db2.gz GBHLIYOLQYNKPX-UHFFFAOYSA-N 2 2 331.526 1.608 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1c1ccccc1 ZINC000370306738 446224377 /nfs/dbraw/zinc/22/43/77/446224377.db2.gz DAJNLVUUZGBZGO-DLBZAZTESA-N 2 2 333.395 1.834 20 0 EDADLP CN(CCOCC1CC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370340403 446236597 /nfs/dbraw/zinc/23/65/97/446236597.db2.gz WSXDESBYOXIHEP-INIZCTEOSA-N 2 2 338.496 1.223 20 0 EDADLP CN(CCOCC1CC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370340403 446236600 /nfs/dbraw/zinc/23/66/00/446236600.db2.gz WSXDESBYOXIHEP-INIZCTEOSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC000373499720 446238765 /nfs/dbraw/zinc/23/87/65/446238765.db2.gz APXNEYJFPMBWGI-UHFFFAOYSA-N 3 2 347.507 1.655 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000370426438 446272866 /nfs/dbraw/zinc/27/28/66/446272866.db2.gz XWDKSCDROOWPPL-QZTJIDSGSA-N 2 2 331.460 1.613 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000370426438 446272871 /nfs/dbraw/zinc/27/28/71/446272871.db2.gz XWDKSCDROOWPPL-QZTJIDSGSA-N 2 2 331.460 1.613 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000365648854 446286273 /nfs/dbraw/zinc/28/62/73/446286273.db2.gz LGGUIBZXTYFABN-CYBMUJFWSA-N 2 2 345.403 1.219 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccco2)C1 ZINC000365648854 446286276 /nfs/dbraw/zinc/28/62/76/446286276.db2.gz LGGUIBZXTYFABN-CYBMUJFWSA-N 2 2 345.403 1.219 20 0 EDADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCNC1=O ZINC000362364169 446335394 /nfs/dbraw/zinc/33/53/94/446335394.db2.gz HABLHFBTIRKRCK-SFHVURJKSA-N 3 2 336.524 1.393 20 0 EDADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCNC1=O ZINC000362364169 446335397 /nfs/dbraw/zinc/33/53/97/446335397.db2.gz HABLHFBTIRKRCK-SFHVURJKSA-N 3 2 336.524 1.393 20 0 EDADLP C[C@H]1COCC[C@@H]1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000376121935 446343338 /nfs/dbraw/zinc/34/33/38/446343338.db2.gz CFUBTDSCWJTZQK-DLBZAZTESA-N 2 2 325.497 1.045 20 0 EDADLP C[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000376121935 446343344 /nfs/dbraw/zinc/34/33/44/446343344.db2.gz CFUBTDSCWJTZQK-DLBZAZTESA-N 2 2 325.497 1.045 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417960021 446400946 /nfs/dbraw/zinc/40/09/46/446400946.db2.gz XFEVUWJTZAALOR-OAGGEKHMSA-N 2 2 340.418 1.993 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000376153136 446357263 /nfs/dbraw/zinc/35/72/63/446357263.db2.gz VOKIBKZXPCPKAQ-MRXNPFEDSA-N 2 2 327.432 1.933 20 0 EDADLP C[C@H]1CN(Cc2nc(-c3ccco3)no2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374253156 446359688 /nfs/dbraw/zinc/35/96/88/446359688.db2.gz FKNSGIMNCPJTMI-AWEZNQCLSA-N 2 2 345.447 1.930 20 0 EDADLP C[C@H]1CN(Cc2nc(-c3ccco3)no2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374253156 446359691 /nfs/dbraw/zinc/35/96/91/446359691.db2.gz FKNSGIMNCPJTMI-AWEZNQCLSA-N 2 2 345.447 1.930 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417516687 446360755 /nfs/dbraw/zinc/36/07/55/446360755.db2.gz OIRBNJMQYPVYAB-NVXWUHKLSA-N 2 2 334.464 1.487 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417516687 446360759 /nfs/dbraw/zinc/36/07/59/446360759.db2.gz OIRBNJMQYPVYAB-NVXWUHKLSA-N 2 2 334.464 1.487 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000417543533 446364212 /nfs/dbraw/zinc/36/42/12/446364212.db2.gz LJFYWQXMAQTISI-CRAIPNDOSA-N 2 2 347.507 1.184 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417548472 446364376 /nfs/dbraw/zinc/36/43/76/446364376.db2.gz VTNUKDCBVSYEBK-MRXNPFEDSA-N 2 2 339.528 1.173 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366819630 446368269 /nfs/dbraw/zinc/36/82/69/446368269.db2.gz AQDJRVNBUDBVOQ-JKSUJKDBSA-N 2 2 325.416 1.872 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000376183440 446370171 /nfs/dbraw/zinc/37/01/71/446370171.db2.gz YSIPWBJYFWIMSE-SJORKVTESA-N 2 2 348.491 1.699 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000365855411 446373211 /nfs/dbraw/zinc/37/32/11/446373211.db2.gz KAOPCZAXNROEHB-MRXNPFEDSA-N 2 2 333.480 1.294 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000365855411 446373212 /nfs/dbraw/zinc/37/32/12/446373212.db2.gz KAOPCZAXNROEHB-MRXNPFEDSA-N 2 2 333.480 1.294 20 0 EDADLP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000376209537 446380878 /nfs/dbraw/zinc/38/08/78/446380878.db2.gz HAXFUDXTWDUVNT-SFHVURJKSA-N 2 2 330.476 1.409 20 0 EDADLP CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000376209537 446380885 /nfs/dbraw/zinc/38/08/85/446380885.db2.gz HAXFUDXTWDUVNT-SFHVURJKSA-N 2 2 330.476 1.409 20 0 EDADLP CC[NH+](CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000376209537 446380890 /nfs/dbraw/zinc/38/08/90/446380890.db2.gz HAXFUDXTWDUVNT-SFHVURJKSA-N 2 2 330.476 1.409 20 0 EDADLP CC[NH+](CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1 ZINC000376209537 446380892 /nfs/dbraw/zinc/38/08/92/446380892.db2.gz HAXFUDXTWDUVNT-SFHVURJKSA-N 2 2 330.476 1.409 20 0 EDADLP CCCCNc1cc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)nc(N)[nH+]1 ZINC000376222657 446388596 /nfs/dbraw/zinc/38/85/96/446388596.db2.gz ZSPKRNSZCIXCTQ-HNNXBMFYSA-N 2 2 347.511 1.487 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417947763 446395365 /nfs/dbraw/zinc/39/53/65/446395365.db2.gz GZKPPJSQDGCMBM-ONERCXAPSA-N 2 2 326.391 1.604 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417947763 446395370 /nfs/dbraw/zinc/39/53/70/446395370.db2.gz GZKPPJSQDGCMBM-ONERCXAPSA-N 2 2 326.391 1.604 20 0 EDADLP C[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417951939 446396767 /nfs/dbraw/zinc/39/67/67/446396767.db2.gz MFGJFIUPBWWXGH-GJZGRUSLSA-N 2 2 326.391 1.619 20 0 EDADLP C[NH2+]CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417951939 446396772 /nfs/dbraw/zinc/39/67/72/446396772.db2.gz MFGJFIUPBWWXGH-GJZGRUSLSA-N 2 2 326.391 1.619 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417960021 446400942 /nfs/dbraw/zinc/40/09/42/446400942.db2.gz XFEVUWJTZAALOR-OAGGEKHMSA-N 2 2 340.418 1.993 20 0 EDADLP CC(C)(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000366884678 446398291 /nfs/dbraw/zinc/39/82/91/446398291.db2.gz QDQAYGZOEDFZEE-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC(C)(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000366884678 446398294 /nfs/dbraw/zinc/39/82/94/446398294.db2.gz QDQAYGZOEDFZEE-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370771280 446430084 /nfs/dbraw/zinc/43/00/84/446430084.db2.gz HVFZCZAVUBTNHQ-WBVHZDCISA-N 2 2 342.443 1.494 20 0 EDADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423124189 446431649 /nfs/dbraw/zinc/43/16/49/446431649.db2.gz MFUXFTVSLIPJJA-RTBURBONSA-N 3 2 348.491 1.269 20 0 EDADLP CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)nn1 ZINC000423128210 446433152 /nfs/dbraw/zinc/43/31/52/446433152.db2.gz VCLKQSRIORHNBH-XOSAIJSUSA-N 2 2 337.468 1.265 20 0 EDADLP COc1ccc(Nc2cc(NC[C@@H]3C[NH2+]C[C@@H]3O)[nH+]cn2)c(OC)c1 ZINC000420251921 446433351 /nfs/dbraw/zinc/43/33/51/446433351.db2.gz MUHUIMDQXQFCNS-FZMZJTMJSA-N 2 2 345.403 1.230 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000420255568 446435400 /nfs/dbraw/zinc/43/54/00/446435400.db2.gz HSQNBFQVCCBDFI-JYJNAYRXSA-N 2 2 333.480 1.862 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000420255568 446435410 /nfs/dbraw/zinc/43/54/10/446435410.db2.gz HSQNBFQVCCBDFI-JYJNAYRXSA-N 2 2 333.480 1.862 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000411238146 446436900 /nfs/dbraw/zinc/43/69/00/446436900.db2.gz CGHNYBQXOFYSJI-UHFFFAOYSA-N 2 2 343.431 1.654 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000411238146 446436905 /nfs/dbraw/zinc/43/69/05/446436905.db2.gz CGHNYBQXOFYSJI-UHFFFAOYSA-N 2 2 343.431 1.654 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC000418093684 446439364 /nfs/dbraw/zinc/43/93/64/446439364.db2.gz HADBUTAQAKSOGP-IEBWSBKVSA-N 2 2 343.475 1.925 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnnn1CC ZINC000418093684 446439368 /nfs/dbraw/zinc/43/93/68/446439368.db2.gz HADBUTAQAKSOGP-IEBWSBKVSA-N 2 2 343.475 1.925 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000420282680 446449734 /nfs/dbraw/zinc/44/97/34/446449734.db2.gz BAEUMHJHUBFLKO-MSOLQXFVSA-N 3 2 334.508 1.711 20 0 EDADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000420286294 446451190 /nfs/dbraw/zinc/45/11/90/446451190.db2.gz FFENOVINEHSABO-ZDUSSCGKSA-N 2 2 333.432 1.162 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)c(C)[nH+]1 ZINC000411128786 446404648 /nfs/dbraw/zinc/40/46/48/446404648.db2.gz FMMDYOYJPYDVCP-UHFFFAOYSA-N 2 2 341.415 1.723 20 0 EDADLP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000370728959 446406216 /nfs/dbraw/zinc/40/62/16/446406216.db2.gz FXKMSEOKANFPME-PVAVHDDUSA-N 2 2 347.463 1.339 20 0 EDADLP CCn1nccc1CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000374825319 446407629 /nfs/dbraw/zinc/40/76/29/446407629.db2.gz OTQCLFZUOQSSLN-LJQANCHMSA-N 2 2 349.523 1.172 20 0 EDADLP CCn1nccc1CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000374825319 446407634 /nfs/dbraw/zinc/40/76/34/446407634.db2.gz OTQCLFZUOQSSLN-LJQANCHMSA-N 2 2 349.523 1.172 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)[nH+]1 ZINC000411145993 446409734 /nfs/dbraw/zinc/40/97/34/446409734.db2.gz DGTISEFYLHRDPA-LSDHHAIUSA-N 2 2 330.432 1.688 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(C)[nH+]1 ZINC000411145993 446409738 /nfs/dbraw/zinc/40/97/38/446409738.db2.gz DGTISEFYLHRDPA-LSDHHAIUSA-N 2 2 330.432 1.688 20 0 EDADLP CC(C)N1C(=O)C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1(C)C ZINC000420301529 446464422 /nfs/dbraw/zinc/46/44/22/446464422.db2.gz LKPANHCITULDKK-IRXDYDNUSA-N 2 2 333.476 1.249 20 0 EDADLP CC(C)N1C(=O)C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1(C)C ZINC000420301529 446464427 /nfs/dbraw/zinc/46/44/27/446464427.db2.gz LKPANHCITULDKK-IRXDYDNUSA-N 2 2 333.476 1.249 20 0 EDADLP CC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)CS(C)(=O)=O ZINC000420302983 446465468 /nfs/dbraw/zinc/46/54/68/446465468.db2.gz MVYHKIAXPYMWOL-ZFWWWQNUSA-N 2 2 328.478 1.493 20 0 EDADLP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)CS(C)(=O)=O ZINC000420302983 446465469 /nfs/dbraw/zinc/46/54/69/446465469.db2.gz MVYHKIAXPYMWOL-ZFWWWQNUSA-N 2 2 328.478 1.493 20 0 EDADLP CCc1nnsc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831427 446466512 /nfs/dbraw/zinc/46/65/12/446466512.db2.gz UWXGSRBZZIOVPP-CYBMUJFWSA-N 2 2 337.493 1.341 20 0 EDADLP CCc1nnsc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831427 446466517 /nfs/dbraw/zinc/46/65/17/446466517.db2.gz UWXGSRBZZIOVPP-CYBMUJFWSA-N 2 2 337.493 1.341 20 0 EDADLP CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)CS(C)(=O)=O ZINC000420302982 446466779 /nfs/dbraw/zinc/46/67/79/446466779.db2.gz MVYHKIAXPYMWOL-UKRRQHHQSA-N 2 2 328.478 1.493 20 0 EDADLP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)CS(C)(=O)=O ZINC000420302982 446466784 /nfs/dbraw/zinc/46/67/84/446466784.db2.gz MVYHKIAXPYMWOL-UKRRQHHQSA-N 2 2 328.478 1.493 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418259957 446475071 /nfs/dbraw/zinc/47/50/71/446475071.db2.gz POXGONOQYKNAEF-UHFFFAOYSA-N 2 2 343.765 1.919 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)cc1F ZINC000423309158 446483189 /nfs/dbraw/zinc/48/31/89/446483189.db2.gz PKDDMEBUFOOYPU-GOEBONIOSA-N 2 2 349.450 1.867 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000376424711 446488515 /nfs/dbraw/zinc/48/85/15/446488515.db2.gz ATZAVKZSLHHIFV-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000376424711 446488519 /nfs/dbraw/zinc/48/85/19/446488519.db2.gz ATZAVKZSLHHIFV-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000423312946 446485105 /nfs/dbraw/zinc/48/51/05/446485105.db2.gz VUXXDKCTVPCEHM-MRXNPFEDSA-N 2 2 333.476 1.940 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000423326570 446489918 /nfs/dbraw/zinc/48/99/18/446489918.db2.gz CMTOLWYFJCSUGI-NXHRZFHOSA-N 2 2 333.476 1.796 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000418331899 446502069 /nfs/dbraw/zinc/50/20/69/446502069.db2.gz CUPQPTGAPQGHDF-GJZGRUSLSA-N 2 2 336.505 1.963 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)C[NH+]1CCOCC1 ZINC000423365384 446503875 /nfs/dbraw/zinc/50/38/75/446503875.db2.gz BDVCUZPVVYFTEP-IAQYHMDHSA-N 2 2 327.375 1.049 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000420341856 446512850 /nfs/dbraw/zinc/51/28/50/446512850.db2.gz QLXNFLRYLIIHGL-FGTMMUONSA-N 3 2 330.476 1.089 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000420341856 446512855 /nfs/dbraw/zinc/51/28/55/446512855.db2.gz QLXNFLRYLIIHGL-FGTMMUONSA-N 3 2 330.476 1.089 20 0 EDADLP CCCCNc1cc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)nc(N)[nH+]1 ZINC000376464681 446512930 /nfs/dbraw/zinc/51/29/30/446512930.db2.gz TWNNOKSPUXZLMK-LSDHHAIUSA-N 2 2 348.495 1.696 20 0 EDADLP CCCCNc1cc(N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)nc(N)[nH+]1 ZINC000376464681 446512935 /nfs/dbraw/zinc/51/29/35/446512935.db2.gz TWNNOKSPUXZLMK-LSDHHAIUSA-N 2 2 348.495 1.696 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000418363753 446514518 /nfs/dbraw/zinc/51/45/18/446514518.db2.gz NJPOFBIQPGSTPC-MRXNPFEDSA-N 2 2 331.464 1.821 20 0 EDADLP C[NH2+]CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418325711 446498795 /nfs/dbraw/zinc/49/87/95/446498795.db2.gz JYDZWRKUZQSPRX-IAGOWNOFSA-N 3 2 339.528 1.184 20 0 EDADLP C[NH2+]CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418325711 446498801 /nfs/dbraw/zinc/49/88/01/446498801.db2.gz JYDZWRKUZQSPRX-IAGOWNOFSA-N 3 2 339.528 1.184 20 0 EDADLP CCOC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000367588654 446564823 /nfs/dbraw/zinc/56/48/23/446564823.db2.gz XETNOLRNWGDCQM-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CCOC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000367588654 446564825 /nfs/dbraw/zinc/56/48/25/446564825.db2.gz XETNOLRNWGDCQM-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000420389112 446565702 /nfs/dbraw/zinc/56/57/02/446565702.db2.gz LXQIIJNRTRHXMT-QGZVFWFLSA-N 2 2 333.476 1.320 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000420389112 446565708 /nfs/dbraw/zinc/56/57/08/446565708.db2.gz LXQIIJNRTRHXMT-QGZVFWFLSA-N 2 2 333.476 1.320 20 0 EDADLP FC(F)n1c2ccccc2nc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349594 446525716 /nfs/dbraw/zinc/52/57/16/446525716.db2.gz PSTBWMFTQLNPQQ-ZDUSSCGKSA-N 2 2 335.402 1.911 20 0 EDADLP FC(F)n1c2ccccc2nc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349594 446525721 /nfs/dbraw/zinc/52/57/21/446525721.db2.gz PSTBWMFTQLNPQQ-ZDUSSCGKSA-N 2 2 335.402 1.911 20 0 EDADLP FC(F)n1c2ccccc2nc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349592 446525876 /nfs/dbraw/zinc/52/58/76/446525876.db2.gz PSTBWMFTQLNPQQ-CYBMUJFWSA-N 2 2 335.402 1.911 20 0 EDADLP FC(F)n1c2ccccc2nc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349592 446525879 /nfs/dbraw/zinc/52/58/79/446525879.db2.gz PSTBWMFTQLNPQQ-CYBMUJFWSA-N 2 2 335.402 1.911 20 0 EDADLP C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C[C@@H](O)C[NH3+] ZINC000420356165 446535292 /nfs/dbraw/zinc/53/52/92/446535292.db2.gz QQMKCEVSAGLGLC-ROUUACIJSA-N 2 2 347.503 1.899 20 0 EDADLP C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C[C@@H](O)C[NH3+] ZINC000420356165 446535301 /nfs/dbraw/zinc/53/53/01/446535301.db2.gz QQMKCEVSAGLGLC-ROUUACIJSA-N 2 2 347.503 1.899 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000367369812 446539281 /nfs/dbraw/zinc/53/92/81/446539281.db2.gz ICEFKUWLWDZSDY-CRAIPNDOSA-N 2 2 330.432 1.633 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000367369812 446539286 /nfs/dbraw/zinc/53/92/86/446539286.db2.gz ICEFKUWLWDZSDY-CRAIPNDOSA-N 2 2 330.432 1.633 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000420359572 446539813 /nfs/dbraw/zinc/53/98/13/446539813.db2.gz GDVXINACTJXIAJ-IOASZLSFSA-N 2 2 328.453 1.966 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000420362823 446542968 /nfs/dbraw/zinc/54/29/68/446542968.db2.gz IYVGPCQKNJCBRS-PBFPGSCMSA-N 2 2 339.867 1.811 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000420369155 446548147 /nfs/dbraw/zinc/54/81/47/446548147.db2.gz OCBWJJHXXUWVEI-FHSNZYRGSA-N 2 2 344.459 1.493 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000420373007 446551455 /nfs/dbraw/zinc/55/14/55/446551455.db2.gz MRMZFXLSAZMRDN-HIFRSBDPSA-N 2 2 333.398 1.863 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000420373007 446551458 /nfs/dbraw/zinc/55/14/58/446551458.db2.gz MRMZFXLSAZMRDN-HIFRSBDPSA-N 2 2 333.398 1.863 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](c2ccccc2)C1 ZINC000616482474 450433505 /nfs/dbraw/zinc/43/35/05/450433505.db2.gz UOUZMGMJLRSPTN-ZACQAIPSSA-N 2 2 338.455 1.976 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](c2ccccc2)C1 ZINC000616482474 450433508 /nfs/dbraw/zinc/43/35/08/450433508.db2.gz UOUZMGMJLRSPTN-ZACQAIPSSA-N 2 2 338.455 1.976 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](c2ccccc2)C1 ZINC000616482474 450433511 /nfs/dbraw/zinc/43/35/11/450433511.db2.gz UOUZMGMJLRSPTN-ZACQAIPSSA-N 2 2 338.455 1.976 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](c2ccccc2)C1 ZINC000616482474 450433513 /nfs/dbraw/zinc/43/35/13/450433513.db2.gz UOUZMGMJLRSPTN-ZACQAIPSSA-N 2 2 338.455 1.976 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000420376249 446553520 /nfs/dbraw/zinc/55/35/20/446553520.db2.gz QFHPRKXABZWRPJ-VMXMFDLUSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000420376249 446553527 /nfs/dbraw/zinc/55/35/27/446553527.db2.gz QFHPRKXABZWRPJ-VMXMFDLUSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420376249 446553533 /nfs/dbraw/zinc/55/35/33/446553533.db2.gz QFHPRKXABZWRPJ-VMXMFDLUSA-N 3 2 343.515 1.866 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420376249 446553540 /nfs/dbraw/zinc/55/35/40/446553540.db2.gz QFHPRKXABZWRPJ-VMXMFDLUSA-N 3 2 343.515 1.866 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418470254 446557253 /nfs/dbraw/zinc/55/72/53/446557253.db2.gz LGYHRCYMODLAQS-XIRDDKMYSA-N 2 2 334.464 1.295 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418470254 446557256 /nfs/dbraw/zinc/55/72/56/446557256.db2.gz LGYHRCYMODLAQS-XIRDDKMYSA-N 2 2 334.464 1.295 20 0 EDADLP c1cc(N[C@H]2CCCOC2)nc(N2CCC([NH+]3CCCC3)CC2)[nH+]1 ZINC000376622484 446610907 /nfs/dbraw/zinc/61/09/07/446610907.db2.gz KCURYDPJOSYEPK-HNNXBMFYSA-N 2 2 331.464 2.132 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000420394247 446569203 /nfs/dbraw/zinc/56/92/03/446569203.db2.gz ZJYGTWRMROZKSN-KRWDZBQOSA-N 2 2 349.475 1.909 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000420394247 446569204 /nfs/dbraw/zinc/56/92/04/446569204.db2.gz ZJYGTWRMROZKSN-KRWDZBQOSA-N 2 2 349.475 1.909 20 0 EDADLP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423571248 446580885 /nfs/dbraw/zinc/58/08/85/446580885.db2.gz NLKCUHRJJATYFT-RBUKOAKNSA-N 2 2 333.476 1.200 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C[C@H]1C[NH3+] ZINC000420416203 446588936 /nfs/dbraw/zinc/58/89/36/446588936.db2.gz VJHMCLLCSRGQLB-KZNAEPCWSA-N 2 2 344.503 1.546 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C[C@H]1C[NH3+] ZINC000420416203 446588941 /nfs/dbraw/zinc/58/89/41/446588941.db2.gz VJHMCLLCSRGQLB-KZNAEPCWSA-N 2 2 344.503 1.546 20 0 EDADLP CN(C(=O)CCCCc1c[nH]nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375115820 446590356 /nfs/dbraw/zinc/59/03/56/446590356.db2.gz RVCXJGYWBXNKEF-KRWDZBQOSA-N 2 2 348.495 1.144 20 0 EDADLP CN(C(=O)CCCCc1c[nH]nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375115820 446590366 /nfs/dbraw/zinc/59/03/66/446590366.db2.gz RVCXJGYWBXNKEF-KRWDZBQOSA-N 2 2 348.495 1.144 20 0 EDADLP CN(C(=O)CCCCc1cn[nH]n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375115820 446590372 /nfs/dbraw/zinc/59/03/72/446590372.db2.gz RVCXJGYWBXNKEF-KRWDZBQOSA-N 2 2 348.495 1.144 20 0 EDADLP CN(C(=O)CCCCc1cn[nH]n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375115820 446590379 /nfs/dbraw/zinc/59/03/79/446590379.db2.gz RVCXJGYWBXNKEF-KRWDZBQOSA-N 2 2 348.495 1.144 20 0 EDADLP C[N@@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000375214614 446648043 /nfs/dbraw/zinc/64/80/43/446648043.db2.gz IZWWEEXILFJRNC-CJNGLKHVSA-N 2 2 330.432 1.140 20 0 EDADLP C[N@H+]1CC[C@@H]2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000375214614 446648047 /nfs/dbraw/zinc/64/80/47/446648047.db2.gz IZWWEEXILFJRNC-CJNGLKHVSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CC[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000375214614 446648051 /nfs/dbraw/zinc/64/80/51/446648051.db2.gz IZWWEEXILFJRNC-CJNGLKHVSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CC[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)[C@H]2C1 ZINC000375214614 446648054 /nfs/dbraw/zinc/64/80/54/446648054.db2.gz IZWWEEXILFJRNC-CJNGLKHVSA-N 2 2 330.432 1.140 20 0 EDADLP CCC[C@@]1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000376706136 446664964 /nfs/dbraw/zinc/66/49/64/446664964.db2.gz IFLBQQLQLXLWMP-MAUKXSAKSA-N 2 2 338.496 1.413 20 0 EDADLP CCC[C@@]1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000376706136 446664971 /nfs/dbraw/zinc/66/49/71/446664971.db2.gz IFLBQQLQLXLWMP-MAUKXSAKSA-N 2 2 338.496 1.413 20 0 EDADLP [NH3+]C[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000423731428 446666228 /nfs/dbraw/zinc/66/62/28/446666228.db2.gz OAQNDRAXNASUNO-SFHVURJKSA-N 2 2 342.418 1.607 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000418651889 446634980 /nfs/dbraw/zinc/63/49/80/446634980.db2.gz MAJHYPQGARHSJI-WMZOPIPTSA-N 2 2 348.491 1.659 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000418651889 446634985 /nfs/dbraw/zinc/63/49/85/446634985.db2.gz MAJHYPQGARHSJI-WMZOPIPTSA-N 2 2 348.491 1.659 20 0 EDADLP CC(C)(C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]([NH3+])c1ccccc1 ZINC000423756046 446685425 /nfs/dbraw/zinc/68/54/25/446685425.db2.gz KRYFGSQYACMCNO-IRXDYDNUSA-N 2 2 331.460 1.692 20 0 EDADLP CC(C)(C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]([NH3+])c1ccccc1 ZINC000423756046 446685434 /nfs/dbraw/zinc/68/54/34/446685434.db2.gz KRYFGSQYACMCNO-IRXDYDNUSA-N 2 2 331.460 1.692 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411834328 446690901 /nfs/dbraw/zinc/69/09/01/446690901.db2.gz NVLADRGIWQVUPH-HNNXBMFYSA-N 2 2 329.510 1.361 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411834328 446690909 /nfs/dbraw/zinc/69/09/09/446690909.db2.gz NVLADRGIWQVUPH-HNNXBMFYSA-N 2 2 329.510 1.361 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423821658 446710101 /nfs/dbraw/zinc/71/01/01/446710101.db2.gz HTKJCVXVNYXHGM-HGGPSHQYSA-N 2 2 339.386 1.203 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423821658 446710107 /nfs/dbraw/zinc/71/01/07/446710107.db2.gz HTKJCVXVNYXHGM-HGGPSHQYSA-N 2 2 339.386 1.203 20 0 EDADLP COc1cc2[nH+]c(N(C)C[C@H]3CCC[N@@H+]3C)nc(N)c2cc1OC ZINC000420635239 446713023 /nfs/dbraw/zinc/71/30/23/446713023.db2.gz LRWLUZLFIDTMQL-LLVKDONJSA-N 2 2 331.420 1.760 20 0 EDADLP COc1cc2[nH+]c(N(C)C[C@H]3CCC[N@H+]3C)nc(N)c2cc1OC ZINC000420635239 446713026 /nfs/dbraw/zinc/71/30/26/446713026.db2.gz LRWLUZLFIDTMQL-LLVKDONJSA-N 2 2 331.420 1.760 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(CC[NH+]2CCCOCC2)CC1 ZINC000375337586 446731330 /nfs/dbraw/zinc/73/13/30/446731330.db2.gz SXTKTKGDYSPIME-IBGZPJMESA-N 3 2 338.540 1.201 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(CC[NH+]2CCCOCC2)CC1 ZINC000375337586 446731338 /nfs/dbraw/zinc/73/13/38/446731338.db2.gz SXTKTKGDYSPIME-IBGZPJMESA-N 3 2 338.540 1.201 20 0 EDADLP C[NH+]1CCCC[C@H]1CC[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375337586 446731343 /nfs/dbraw/zinc/73/13/43/446731343.db2.gz SXTKTKGDYSPIME-IBGZPJMESA-N 3 2 338.540 1.201 20 0 EDADLP C[NH+]1CCCC[C@H]1CC[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375337586 446731346 /nfs/dbraw/zinc/73/13/46/446731346.db2.gz SXTKTKGDYSPIME-IBGZPJMESA-N 3 2 338.540 1.201 20 0 EDADLP C[NH2+]CCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000423751714 446681617 /nfs/dbraw/zinc/68/16/17/446681617.db2.gz VKHXGGZGVLYXOZ-UHFFFAOYSA-N 2 2 349.866 1.632 20 0 EDADLP C[NH2+]CCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000423751714 446681624 /nfs/dbraw/zinc/68/16/24/446681624.db2.gz VKHXGGZGVLYXOZ-UHFFFAOYSA-N 2 2 349.866 1.632 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368168043 446682566 /nfs/dbraw/zinc/68/25/66/446682566.db2.gz RMOIOFUACKWXIX-MRXNPFEDSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418766038 446684091 /nfs/dbraw/zinc/68/40/91/446684091.db2.gz OZZPAQGCKOMMPK-MGPQQGTHSA-N 2 2 330.423 1.499 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423931025 446782387 /nfs/dbraw/zinc/78/23/87/446782387.db2.gz LXPAOXUNZKVADF-JLSDUUJJSA-N 2 2 331.460 1.372 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423931025 446782393 /nfs/dbraw/zinc/78/23/93/446782393.db2.gz LXPAOXUNZKVADF-JLSDUUJJSA-N 2 2 331.460 1.372 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000423935769 446787943 /nfs/dbraw/zinc/78/79/43/446787943.db2.gz BFTFBYSIUFMZJI-MSOLQXFVSA-N 2 2 333.476 1.866 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000423935769 446787949 /nfs/dbraw/zinc/78/79/49/446787949.db2.gz BFTFBYSIUFMZJI-MSOLQXFVSA-N 2 2 333.476 1.866 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000375424517 446789576 /nfs/dbraw/zinc/78/95/76/446789576.db2.gz YYXLLIIKGVCDHU-WBTNSWJXSA-N 2 2 328.460 1.895 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000375424517 446789579 /nfs/dbraw/zinc/78/95/79/446789579.db2.gz YYXLLIIKGVCDHU-WBTNSWJXSA-N 2 2 328.460 1.895 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)N1CC[NH+](Cc2ccco2)CC1 ZINC000375349237 446741480 /nfs/dbraw/zinc/74/14/80/446741480.db2.gz MHRVIOGMYBZMLG-MSOLQXFVSA-N 2 2 347.459 1.567 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)N1CC[NH+](Cc2ccco2)CC1 ZINC000375349237 446741484 /nfs/dbraw/zinc/74/14/84/446741484.db2.gz MHRVIOGMYBZMLG-MSOLQXFVSA-N 2 2 347.459 1.567 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)Nc2cccc3c2CC[NH+](CC(C)(C)O)C3)C1 ZINC000368256645 446742313 /nfs/dbraw/zinc/74/23/13/446742313.db2.gz MLZZMPBVCBFVGO-KRWDZBQOSA-N 2 2 347.459 1.085 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)Nc2cccc3c2CC[NH+](CC(C)(C)O)C3)C1 ZINC000368256645 446742319 /nfs/dbraw/zinc/74/23/19/446742319.db2.gz MLZZMPBVCBFVGO-KRWDZBQOSA-N 2 2 347.459 1.085 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)C1 ZINC000368256645 446742326 /nfs/dbraw/zinc/74/23/26/446742326.db2.gz MLZZMPBVCBFVGO-KRWDZBQOSA-N 2 2 347.459 1.085 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)C1 ZINC000368256645 446742329 /nfs/dbraw/zinc/74/23/29/446742329.db2.gz MLZZMPBVCBFVGO-KRWDZBQOSA-N 2 2 347.459 1.085 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000454313029 446841891 /nfs/dbraw/zinc/84/18/91/446841891.db2.gz MFCLHKQEIMJQCV-UHFFFAOYSA-N 2 2 345.447 1.843 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375501314 446852995 /nfs/dbraw/zinc/85/29/95/446852995.db2.gz CWMCZLLGHYHVCK-HZPDHXFCSA-N 2 2 334.464 1.238 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000375501314 446852997 /nfs/dbraw/zinc/85/29/97/446852997.db2.gz CWMCZLLGHYHVCK-HZPDHXFCSA-N 2 2 334.464 1.238 20 0 EDADLP CC(=O)N1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC000420930931 446901172 /nfs/dbraw/zinc/90/11/72/446901172.db2.gz FMSZYSCFYGJNBD-MRXNPFEDSA-N 2 2 331.460 1.571 20 0 EDADLP CC(=O)N1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC000420930931 446901180 /nfs/dbraw/zinc/90/11/80/446901180.db2.gz FMSZYSCFYGJNBD-MRXNPFEDSA-N 2 2 331.460 1.571 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000377031559 446872977 /nfs/dbraw/zinc/87/29/77/446872977.db2.gz KAWAQQQIXSXEFK-IEBWSBKVSA-N 3 2 337.556 1.418 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000377031559 446872984 /nfs/dbraw/zinc/87/29/84/446872984.db2.gz KAWAQQQIXSXEFK-IEBWSBKVSA-N 3 2 337.556 1.418 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3[NH3+])c[nH+]2)CCO1 ZINC000424454236 446874715 /nfs/dbraw/zinc/87/47/15/446874715.db2.gz OBZHXLVHXWCUOJ-NUEKZKHPSA-N 2 2 347.463 1.376 20 0 EDADLP FC(F)CN1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420907363 446882699 /nfs/dbraw/zinc/88/26/99/446882699.db2.gz VMAKGJMZVAQALP-UHFFFAOYSA-N 2 2 339.430 1.902 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000371480430 446883659 /nfs/dbraw/zinc/88/36/59/446883659.db2.gz OESDQRSDOBDRBL-ZMSDIMECSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCCO1 ZINC000371480430 446883665 /nfs/dbraw/zinc/88/36/65/446883665.db2.gz OESDQRSDOBDRBL-ZMSDIMECSA-N 2 2 338.496 1.412 20 0 EDADLP c1ncn([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000420918433 446888441 /nfs/dbraw/zinc/88/84/41/446888441.db2.gz WEFBBVIGZZCYNV-LJQANCHMSA-N 2 2 341.459 1.947 20 0 EDADLP c1ncn([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000420918433 446888448 /nfs/dbraw/zinc/88/84/48/446888448.db2.gz WEFBBVIGZZCYNV-LJQANCHMSA-N 2 2 341.459 1.947 20 0 EDADLP CCCCC[N@H+](CC(N)=O)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420929791 446902872 /nfs/dbraw/zinc/90/28/72/446902872.db2.gz DSGRVWGZYOOEAZ-UHFFFAOYSA-N 2 2 333.476 1.996 20 0 EDADLP CCCCC[N@@H+](CC(N)=O)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420929791 446902879 /nfs/dbraw/zinc/90/28/79/446902879.db2.gz DSGRVWGZYOOEAZ-UHFFFAOYSA-N 2 2 333.476 1.996 20 0 EDADLP CC(C)NC(=O)CC[N@@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000371550164 446926977 /nfs/dbraw/zinc/92/69/77/446926977.db2.gz FKJORQYILDEBAN-UHFFFAOYSA-N 2 2 335.496 1.886 20 0 EDADLP CC(C)NC(=O)CC[N@H+]1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000371550164 446926982 /nfs/dbraw/zinc/92/69/82/446926982.db2.gz FKJORQYILDEBAN-UHFFFAOYSA-N 2 2 335.496 1.886 20 0 EDADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420966492 446937089 /nfs/dbraw/zinc/93/70/89/446937089.db2.gz QXRGSPZHBNJDRE-WKWVNEEDSA-N 2 2 328.456 1.720 20 0 EDADLP O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420966492 446937090 /nfs/dbraw/zinc/93/70/90/446937090.db2.gz QXRGSPZHBNJDRE-WKWVNEEDSA-N 2 2 328.456 1.720 20 0 EDADLP CN1CCO[C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000420968177 446938242 /nfs/dbraw/zinc/93/82/42/446938242.db2.gz VOUJSBFALQIWRX-VQTJNVASSA-N 2 2 345.487 1.424 20 0 EDADLP CN1CCO[C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000420968177 446938258 /nfs/dbraw/zinc/93/82/58/446938258.db2.gz VOUJSBFALQIWRX-VQTJNVASSA-N 2 2 345.487 1.424 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442766809 446958964 /nfs/dbraw/zinc/95/89/64/446958964.db2.gz LPPDBDMPMLNLEI-HZPDHXFCSA-N 2 2 346.475 1.336 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442766809 446958968 /nfs/dbraw/zinc/95/89/68/446958968.db2.gz LPPDBDMPMLNLEI-HZPDHXFCSA-N 2 2 346.475 1.336 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000442766539 446959009 /nfs/dbraw/zinc/95/90/09/446959009.db2.gz WUXOZBWJFHXSJJ-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000442766539 446959014 /nfs/dbraw/zinc/95/90/14/446959014.db2.gz WUXOZBWJFHXSJJ-KBPBESRZSA-N 2 2 330.432 1.421 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000371823577 446968000 /nfs/dbraw/zinc/96/80/00/446968000.db2.gz RGPVDYNCLJEEPH-DLBZAZTESA-N 2 2 347.507 1.633 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCCOc3ccccc3)CCO2)CC1 ZINC000368653296 447007749 /nfs/dbraw/zinc/00/77/49/447007749.db2.gz PZPBLDLTMBCKJK-LJQANCHMSA-N 2 2 333.476 1.404 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377302502 447050562 /nfs/dbraw/zinc/05/05/62/447050562.db2.gz FKTXIZQZESDNKJ-AWEZNQCLSA-N 2 2 335.452 1.082 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3nc(C)cc3C)C2)CC1 ZINC000375794890 447056107 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337.468 1.716 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C[NH3+] ZINC000405338087 447610299 /nfs/dbraw/zinc/61/02/99/447610299.db2.gz LIOSFQLBUUTSAO-IUODEOHRSA-N 2 2 325.840 1.883 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2C)C[C@H]1C[NH3+] ZINC000405338087 447610304 /nfs/dbraw/zinc/61/03/04/447610304.db2.gz LIOSFQLBUUTSAO-IUODEOHRSA-N 2 2 325.840 1.883 20 0 EDADLP CCO[C@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459192147 447610712 /nfs/dbraw/zinc/61/07/12/447610712.db2.gz KFNNNXZWCGMPDG-FZNQNYSPSA-N 2 2 326.485 1.221 20 0 EDADLP CCO[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459192147 447610717 /nfs/dbraw/zinc/61/07/17/447610717.db2.gz KFNNNXZWCGMPDG-FZNQNYSPSA-N 2 2 326.485 1.221 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407248254 447613846 /nfs/dbraw/zinc/61/38/46/447613846.db2.gz CYQQOUNCRHPRRX-QZTJIDSGSA-N 2 2 329.444 1.988 20 0 EDADLP C[C@H](C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)CS(C)(=O)=O ZINC000451032384 447656498 /nfs/dbraw/zinc/65/64/98/447656498.db2.gz YUYSGYQTMZOAQM-KGLIPLIRSA-N 2 2 341.477 1.281 20 0 EDADLP C[C@H](C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)CS(C)(=O)=O ZINC000451032384 447656503 /nfs/dbraw/zinc/65/65/03/447656503.db2.gz YUYSGYQTMZOAQM-KGLIPLIRSA-N 2 2 341.477 1.281 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC(C)C)C[NH+](C)C)CC[NH2+]CC1 ZINC000422718504 447727950 /nfs/dbraw/zinc/72/79/50/447727950.db2.gz PVIPKIXDRLCPES-HOTGVXAUSA-N 3 2 327.513 1.874 20 0 EDADLP c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000422724933 447729828 /nfs/dbraw/zinc/72/98/28/447729828.db2.gz XEBYTSIGHPBYID-SFHVURJKSA-N 3 2 333.476 1.629 20 0 EDADLP O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)COc1ccc(F)c(F)c1 ZINC000422747282 447737083 /nfs/dbraw/zinc/73/70/83/447737083.db2.gz YHSHJQSWTOJKHO-DQYPLSBCSA-N 2 2 342.386 1.061 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000496398481 447764761 /nfs/dbraw/zinc/76/47/61/447764761.db2.gz OMRYXGPZAZUNDP-CVEARBPZSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000496398481 447764766 /nfs/dbraw/zinc/76/47/66/447764766.db2.gz OMRYXGPZAZUNDP-CVEARBPZSA-N 2 2 341.496 1.822 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422838170 447765638 /nfs/dbraw/zinc/76/56/38/447765638.db2.gz WJMNYVZCTMQEJL-JSGCOSHPSA-N 2 2 346.397 2.259 20 0 EDADLP c1cnn(Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422798033 447753339 /nfs/dbraw/zinc/75/33/39/447753339.db2.gz PMCHZXFVJPKEBQ-MOPGFXCFSA-N 2 2 326.444 1.788 20 0 EDADLP C[C@]12CC[N@H+](CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)C[C@H]1C2(F)F ZINC000496342942 447757381 /nfs/dbraw/zinc/75/73/81/447757381.db2.gz JJRDBGTVBURMMJ-VNQPRFMTSA-N 2 2 341.402 1.838 20 0 EDADLP C[C@]12CC[N@@H+](CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)C[C@H]1C2(F)F ZINC000496342942 447757386 /nfs/dbraw/zinc/75/73/86/447757386.db2.gz JJRDBGTVBURMMJ-VNQPRFMTSA-N 2 2 341.402 1.838 20 0 EDADLP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422814868 447757986 /nfs/dbraw/zinc/75/79/86/447757986.db2.gz AIIAXEVITCHZLX-OALUTQOASA-N 2 2 326.444 1.771 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@]2([NH+](C)C)CCSC2)CC[NH2+]CC1 ZINC000422825221 447761351 /nfs/dbraw/zinc/76/13/51/447761351.db2.gz PJWGPDGOYQYLDF-GOEBONIOSA-N 3 2 343.537 1.335 20 0 EDADLP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422831888 447763084 /nfs/dbraw/zinc/76/30/84/447763084.db2.gz KCEILVDUHRLTCR-QUCCMNQESA-N 3 2 330.520 1.924 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCNc2cnccn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422889700 447770451 /nfs/dbraw/zinc/77/04/51/447770451.db2.gz QFPHYKODRKOMTR-FUHWJXTLSA-N 2 2 327.432 1.980 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)[C@H]1CCC[NH2+]1 ZINC000422938926 447777084 /nfs/dbraw/zinc/77/70/84/447777084.db2.gz LITFCKSQHLLSDV-YRGRVCCFSA-N 2 2 343.265 1.919 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422958558 447781040 /nfs/dbraw/zinc/78/10/40/447781040.db2.gz PLYNBAPFLKWBPX-RDJZCZTQSA-N 2 2 331.460 1.713 20 0 EDADLP Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)sc1C ZINC000430595777 447782773 /nfs/dbraw/zinc/78/27/73/447782773.db2.gz VMXJLVZFDHRYRC-LBPRGKRZSA-N 2 2 340.493 1.917 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)C1 ZINC000430928886 447788072 /nfs/dbraw/zinc/78/80/72/447788072.db2.gz VRCUOKRUTDBMFL-AWEZNQCLSA-N 2 2 335.448 1.204 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cccc(OC)c2OC)C1 ZINC000430928886 447788074 /nfs/dbraw/zinc/78/80/74/447788074.db2.gz VRCUOKRUTDBMFL-AWEZNQCLSA-N 2 2 335.448 1.204 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@H](CC)[C@H]3CCCC[NH2+]3)C2)nc1 ZINC000423037712 447796397 /nfs/dbraw/zinc/79/63/97/447796397.db2.gz WURAOHFBIJTSSW-IAGOWNOFSA-N 2 2 346.475 1.957 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2=O)c(OC)c1 ZINC000423109649 447806901 /nfs/dbraw/zinc/80/69/01/447806901.db2.gz NZCINYBWPOBARE-COXVUDFISA-N 2 2 347.459 1.535 20 0 EDADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c2ccccc21 ZINC000423114783 447808525 /nfs/dbraw/zinc/80/85/25/447808525.db2.gz WISSXZUJRBMWJQ-RBSFLKMASA-N 2 2 329.366 1.984 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100745 447855678 /nfs/dbraw/zinc/85/56/78/447855678.db2.gz RSLUAILNSIVNSS-YJBOKZPZSA-N 2 2 341.496 1.632 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100745 447855682 /nfs/dbraw/zinc/85/56/82/447855682.db2.gz RSLUAILNSIVNSS-YJBOKZPZSA-N 2 2 341.496 1.632 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100745 447855683 /nfs/dbraw/zinc/85/56/83/447855683.db2.gz RSLUAILNSIVNSS-YJBOKZPZSA-N 2 2 341.496 1.632 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100745 447855686 /nfs/dbraw/zinc/85/56/86/447855686.db2.gz RSLUAILNSIVNSS-YJBOKZPZSA-N 2 2 341.496 1.632 20 0 EDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523115845 447873948 /nfs/dbraw/zinc/87/39/48/447873948.db2.gz DFLOJXRZPUYYAR-KFWWJZLASA-N 2 2 342.447 1.759 20 0 EDADLP COc1c(N)[nH+]cnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000575762448 447893645 /nfs/dbraw/zinc/89/36/45/447893645.db2.gz UUYKSSIICCWPHQ-UHFFFAOYSA-N 2 2 331.395 1.919 20 0 EDADLP COc1c(N)[nH+]cnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000575762448 447893650 /nfs/dbraw/zinc/89/36/50/447893650.db2.gz UUYKSSIICCWPHQ-UHFFFAOYSA-N 2 2 331.395 1.919 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000497154844 447900861 /nfs/dbraw/zinc/90/08/61/447900861.db2.gz QQGLKIOSRJYPIX-GJZGRUSLSA-N 2 2 327.469 1.384 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000497154844 447900866 /nfs/dbraw/zinc/90/08/66/447900866.db2.gz QQGLKIOSRJYPIX-GJZGRUSLSA-N 2 2 327.469 1.384 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569847281 447905646 /nfs/dbraw/zinc/90/56/46/447905646.db2.gz JIHJOFTUADZTAO-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569847281 447905652 /nfs/dbraw/zinc/90/56/52/447905652.db2.gz JIHJOFTUADZTAO-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc(COC[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000575982718 447942612 /nfs/dbraw/zinc/94/26/12/447942612.db2.gz KNQUEUMQIVUYTN-CABCVRRESA-N 2 2 331.416 1.443 20 0 EDADLP COc1ccc(COC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000575982718 447942618 /nfs/dbraw/zinc/94/26/18/447942618.db2.gz KNQUEUMQIVUYTN-CABCVRRESA-N 2 2 331.416 1.443 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000524600043 447936706 /nfs/dbraw/zinc/93/67/06/447936706.db2.gz BKYPMSICEFEJGF-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000524600043 447936711 /nfs/dbraw/zinc/93/67/11/447936711.db2.gz BKYPMSICEFEJGF-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2c(n1)onc2C(C)C ZINC000576105670 447973411 /nfs/dbraw/zinc/97/34/11/447973411.db2.gz LQQZVSVSMMYHRI-LBPRGKRZSA-N 2 2 331.420 1.370 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3cccnc3)C[C@H]2[NH3+])cn1 ZINC000570272046 447974374 /nfs/dbraw/zinc/97/43/74/447974374.db2.gz JMUYHYHGZJGBAX-DLBZAZTESA-N 2 2 337.431 1.142 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3cccnc3)C[C@H]2[NH3+])cn1 ZINC000570272046 447974381 /nfs/dbraw/zinc/97/43/81/447974381.db2.gz JMUYHYHGZJGBAX-DLBZAZTESA-N 2 2 337.431 1.142 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496903893 448019650 /nfs/dbraw/zinc/01/96/50/448019650.db2.gz SFUXJGUQRJJUIL-INIZCTEOSA-N 2 2 343.512 1.878 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496903893 448019655 /nfs/dbraw/zinc/01/96/55/448019655.db2.gz SFUXJGUQRJJUIL-INIZCTEOSA-N 2 2 343.512 1.878 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000576321796 448025273 /nfs/dbraw/zinc/02/52/73/448025273.db2.gz YCOBELAJWWQWBS-YESZJQIVSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000576321796 448025278 /nfs/dbraw/zinc/02/52/78/448025278.db2.gz YCOBELAJWWQWBS-YESZJQIVSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000576321796 448025284 /nfs/dbraw/zinc/02/52/84/448025284.db2.gz YCOBELAJWWQWBS-YESZJQIVSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000576321796 448025291 /nfs/dbraw/zinc/02/52/91/448025291.db2.gz YCOBELAJWWQWBS-YESZJQIVSA-N 2 2 338.496 1.221 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)CC1(C[NH3+])CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000570451411 448017618 /nfs/dbraw/zinc/01/76/18/448017618.db2.gz MEASBAZLJSLORE-OAHLLOKOSA-N 3 2 345.491 1.503 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000576808151 448143622 /nfs/dbraw/zinc/14/36/22/448143622.db2.gz OQBQIPDTSKPDTK-MRXNPFEDSA-N 2 2 331.464 1.299 20 0 EDADLP C[N@H+](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000497057184 448162854 /nfs/dbraw/zinc/16/28/54/448162854.db2.gz NAKZMEZLLXZPFI-UHFFFAOYSA-N 2 2 349.479 1.757 20 0 EDADLP C[N@@H+](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000497057184 448162856 /nfs/dbraw/zinc/16/28/56/448162856.db2.gz NAKZMEZLLXZPFI-UHFFFAOYSA-N 2 2 349.479 1.757 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000531976659 448178153 /nfs/dbraw/zinc/17/81/53/448178153.db2.gz HBFWZEPHLSHKFB-UHFFFAOYSA-N 2 2 340.431 1.753 20 0 EDADLP O=C1OC[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN12 ZINC000497096777 448195985 /nfs/dbraw/zinc/19/59/85/448195985.db2.gz QMXWRQZCYPRDDA-QGZVFWFLSA-N 2 2 331.416 1.155 20 0 EDADLP O=C1OC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN12 ZINC000497096777 448195988 /nfs/dbraw/zinc/19/59/88/448195988.db2.gz QMXWRQZCYPRDDA-QGZVFWFLSA-N 2 2 331.416 1.155 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000514794965 448205249 /nfs/dbraw/zinc/20/52/49/448205249.db2.gz FXNSZYJEDPDNLY-CVEARBPZSA-N 2 2 328.416 1.379 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000514794965 448205253 /nfs/dbraw/zinc/20/52/53/448205253.db2.gz FXNSZYJEDPDNLY-CVEARBPZSA-N 2 2 328.416 1.379 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([NH2+]Cc3c[nH+]c(C)n3C)C2=O)c1 ZINC000514951897 448232812 /nfs/dbraw/zinc/23/28/12/448232812.db2.gz UKDCNRUJRVLNOD-QGZVFWFLSA-N 2 2 344.415 1.641 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000515068157 448255874 /nfs/dbraw/zinc/25/58/74/448255874.db2.gz BLNJLYFJCJUXEC-GOSISDBHSA-N 2 2 336.476 1.814 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000515068157 448255879 /nfs/dbraw/zinc/25/58/79/448255879.db2.gz BLNJLYFJCJUXEC-GOSISDBHSA-N 2 2 336.476 1.814 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)c[nH+]2)C[C@@H](C)O1 ZINC000591096932 448261061 /nfs/dbraw/zinc/26/10/61/448261061.db2.gz NHWMHMFYGAFIIZ-IIAWOOMASA-N 2 2 332.448 1.263 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)c[nH+]2)C[C@@H](C)O1 ZINC000591096932 448261069 /nfs/dbraw/zinc/26/10/69/448261069.db2.gz NHWMHMFYGAFIIZ-IIAWOOMASA-N 2 2 332.448 1.263 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000572226578 448318515 /nfs/dbraw/zinc/31/85/15/448318515.db2.gz NTXUWUOLLRCCQM-LZLYRXPVSA-N 2 2 346.475 1.452 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000572104675 448286196 /nfs/dbraw/zinc/28/61/96/448286196.db2.gz NRIYXNUYLRVKLI-UHFFFAOYSA-N 2 2 344.459 1.312 20 0 EDADLP O[C@@H](CNC[C@@H]1CCC[N@@H+]1C1CCCCC1)C[NH+]1CCOCC1 ZINC000577622773 448345568 /nfs/dbraw/zinc/34/55/68/448345568.db2.gz QXARYAMEQHGPND-ROUUACIJSA-N 2 2 325.497 1.066 20 0 EDADLP O[C@@H](CNC[C@@H]1CCC[N@H+]1C1CCCCC1)C[NH+]1CCOCC1 ZINC000577622773 448345573 /nfs/dbraw/zinc/34/55/73/448345573.db2.gz QXARYAMEQHGPND-ROUUACIJSA-N 2 2 325.497 1.066 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC[C@H]1COc2ccccc2O1 ZINC000582965289 448391300 /nfs/dbraw/zinc/39/13/00/448391300.db2.gz NZNZIOXQNLVZAC-KXBFYZLASA-N 2 2 345.443 1.018 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC[C@H]1COc2ccccc2O1 ZINC000582965289 448391306 /nfs/dbraw/zinc/39/13/06/448391306.db2.gz NZNZIOXQNLVZAC-KXBFYZLASA-N 2 2 345.443 1.018 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000591578655 448394957 /nfs/dbraw/zinc/39/49/57/448394957.db2.gz RVLISEHGSIWNOO-HOTGVXAUSA-N 2 2 346.475 1.411 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000577831454 448396276 /nfs/dbraw/zinc/39/62/76/448396276.db2.gz LMTNDTCWUIUCCQ-YPMHNXCESA-N 2 2 342.390 1.633 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000577831454 448396280 /nfs/dbraw/zinc/39/62/80/448396280.db2.gz LMTNDTCWUIUCCQ-YPMHNXCESA-N 2 2 342.390 1.633 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]1 ZINC000572498841 448396309 /nfs/dbraw/zinc/39/63/09/448396309.db2.gz RYWAARIETAHRNG-WBVHZDCISA-N 2 2 332.448 1.063 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000527984730 448404385 /nfs/dbraw/zinc/40/43/85/448404385.db2.gz XAKGFYQSZUUIMA-CQSZACIVSA-N 2 2 329.404 1.128 20 0 EDADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000583057725 448412332 /nfs/dbraw/zinc/41/23/32/448412332.db2.gz HQAOEJCQCUVXEI-CVEARBPZSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000583057725 448412337 /nfs/dbraw/zinc/41/23/37/448412337.db2.gz HQAOEJCQCUVXEI-CVEARBPZSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000583057725 448412343 /nfs/dbraw/zinc/41/23/43/448412343.db2.gz HQAOEJCQCUVXEI-CVEARBPZSA-N 2 2 339.443 1.841 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000583057725 448412347 /nfs/dbraw/zinc/41/23/47/448412347.db2.gz HQAOEJCQCUVXEI-CVEARBPZSA-N 2 2 339.443 1.841 20 0 EDADLP COC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000577942392 448422302 /nfs/dbraw/zinc/42/23/02/448422302.db2.gz YNFOOJAQRJBPNY-CABCVRRESA-N 2 2 340.855 1.312 20 0 EDADLP COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000577942392 448422306 /nfs/dbraw/zinc/42/23/06/448422306.db2.gz YNFOOJAQRJBPNY-CABCVRRESA-N 2 2 340.855 1.312 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000566294861 448438422 /nfs/dbraw/zinc/43/84/22/448438422.db2.gz KWLVBDDJMIGAOY-ZWKOTPCHSA-N 2 2 333.476 1.954 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000578043133 448449333 /nfs/dbraw/zinc/44/93/33/448449333.db2.gz DUTHWUVNWRAYHB-SOUVJXGZSA-N 2 2 331.464 1.580 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000578043133 448449337 /nfs/dbraw/zinc/44/93/37/448449337.db2.gz DUTHWUVNWRAYHB-SOUVJXGZSA-N 2 2 331.464 1.580 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]cn2)C1 ZINC000578043133 448449341 /nfs/dbraw/zinc/44/93/41/448449341.db2.gz DUTHWUVNWRAYHB-SOUVJXGZSA-N 2 2 331.464 1.580 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)[nH+]cn2)C1 ZINC000578043133 448449344 /nfs/dbraw/zinc/44/93/44/448449344.db2.gz DUTHWUVNWRAYHB-SOUVJXGZSA-N 2 2 331.464 1.580 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000528188793 448455823 /nfs/dbraw/zinc/45/58/23/448455823.db2.gz DZGNGAWOBOTURX-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP CNc1nc(N2CCC(C)([NH+]3CCOCC3)CC2)[nH+]c2ccccc21 ZINC000528189094 448455920 /nfs/dbraw/zinc/45/59/20/448455920.db2.gz AMFLXYHNHPIXPQ-UHFFFAOYSA-N 2 2 341.459 2.363 20 0 EDADLP C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[NH+]1CC(C)C1 ZINC000572779623 448462595 /nfs/dbraw/zinc/46/25/95/448462595.db2.gz PXTUKYGATSGDFZ-NZSAHSFTSA-N 2 2 345.487 1.326 20 0 EDADLP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[NH+]1CC(C)C1 ZINC000572779623 448462603 /nfs/dbraw/zinc/46/26/03/448462603.db2.gz PXTUKYGATSGDFZ-NZSAHSFTSA-N 2 2 345.487 1.326 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000584371078 448502519 /nfs/dbraw/zinc/50/25/19/448502519.db2.gz QPOISVAGOGZGDO-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000584371078 448502526 /nfs/dbraw/zinc/50/25/26/448502526.db2.gz QPOISVAGOGZGDO-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000584371078 448502533 /nfs/dbraw/zinc/50/25/33/448502533.db2.gz QPOISVAGOGZGDO-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000584371078 448502538 /nfs/dbraw/zinc/50/25/38/448502538.db2.gz QPOISVAGOGZGDO-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2coc(S(C)(=O)=O)c2)CC1 ZINC000528377341 448504317 /nfs/dbraw/zinc/50/43/17/448504317.db2.gz VTHQCQMQSZNMIF-ZDUSSCGKSA-N 2 2 344.477 1.208 20 0 EDADLP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2coc(S(C)(=O)=O)c2)CC1 ZINC000528377341 448504321 /nfs/dbraw/zinc/50/43/21/448504321.db2.gz VTHQCQMQSZNMIF-ZDUSSCGKSA-N 2 2 344.477 1.208 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000573001198 448520053 /nfs/dbraw/zinc/52/00/53/448520053.db2.gz HGOOVGXHTGJTTD-GFCCVEGCSA-N 2 2 331.338 1.186 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000573001198 448520058 /nfs/dbraw/zinc/52/00/58/448520058.db2.gz HGOOVGXHTGJTTD-GFCCVEGCSA-N 2 2 331.338 1.186 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOc2ccc(Cl)cn2)C[C@H](C)O1 ZINC000517230934 448557535 /nfs/dbraw/zinc/55/75/35/448557535.db2.gz LJRUCSZFNWVOFF-GUTXKFCHSA-N 2 2 343.855 1.174 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOc2ccc(Cl)cn2)C[C@H](C)O1 ZINC000517230934 448557538 /nfs/dbraw/zinc/55/75/38/448557538.db2.gz LJRUCSZFNWVOFF-GUTXKFCHSA-N 2 2 343.855 1.174 20 0 EDADLP COCC1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]CC1 ZINC000517338077 448573155 /nfs/dbraw/zinc/57/31/55/448573155.db2.gz DVQTYQIYGIBTJY-UHFFFAOYSA-N 2 2 331.420 1.150 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000536984824 448548493 /nfs/dbraw/zinc/54/84/93/448548493.db2.gz VMCLSTJFWSOQHW-KFWWJZLASA-N 2 2 341.463 2.086 20 0 EDADLP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000517754297 448615805 /nfs/dbraw/zinc/61/58/05/448615805.db2.gz ADYZRIQRBVLXKC-UHFFFAOYSA-N 2 2 331.395 1.329 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cncn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000584604428 448584265 /nfs/dbraw/zinc/58/42/65/448584265.db2.gz SAZNWWNDBZEEIQ-OAHLLOKOSA-N 2 2 342.447 1.421 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000518031875 448640213 /nfs/dbraw/zinc/64/02/13/448640213.db2.gz KWGBFUAMDYYASF-ZDUSSCGKSA-N 2 2 326.404 1.409 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000518031875 448640219 /nfs/dbraw/zinc/64/02/19/448640219.db2.gz KWGBFUAMDYYASF-ZDUSSCGKSA-N 2 2 326.404 1.409 20 0 EDADLP C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000528762041 448666281 /nfs/dbraw/zinc/66/62/81/448666281.db2.gz JNQGHEDPHPHNLU-CYBMUJFWSA-N 2 2 333.423 1.333 20 0 EDADLP C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000528762041 448666287 /nfs/dbraw/zinc/66/62/87/448666287.db2.gz JNQGHEDPHPHNLU-CYBMUJFWSA-N 2 2 333.423 1.333 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000518758261 448705907 /nfs/dbraw/zinc/70/59/07/448705907.db2.gz WGFOWHIJDWQWFK-QKYXUNIQSA-N 2 2 348.487 1.688 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000518758261 448705912 /nfs/dbraw/zinc/70/59/12/448705912.db2.gz WGFOWHIJDWQWFK-QKYXUNIQSA-N 2 2 348.487 1.688 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000573770870 448706398 /nfs/dbraw/zinc/70/63/98/448706398.db2.gz JNZKCHVECBMAPP-UHFFFAOYSA-N 2 2 346.475 1.397 20 0 EDADLP COC(=O)c1ccc(F)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000592185141 448726944 /nfs/dbraw/zinc/72/69/44/448726944.db2.gz TXOBWLSGQOBHQG-UHFFFAOYSA-N 2 2 336.407 1.909 20 0 EDADLP COC(=O)c1ccc(F)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000592185141 448726947 /nfs/dbraw/zinc/72/69/47/448726947.db2.gz TXOBWLSGQOBHQG-UHFFFAOYSA-N 2 2 336.407 1.909 20 0 EDADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000585766049 448758525 /nfs/dbraw/zinc/75/85/25/448758525.db2.gz IALLUDMYIDBGFC-STQMWFEESA-N 2 2 339.233 1.887 20 0 EDADLP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000579348310 448772694 /nfs/dbraw/zinc/77/26/94/448772694.db2.gz BPPFXTFSVFCKRS-CQSZACIVSA-N 2 2 329.408 1.293 20 0 EDADLP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)CCOC)C12CCCCC2 ZINC000579430236 448788165 /nfs/dbraw/zinc/78/81/65/448788165.db2.gz NVUUSZYLJRLDIG-RCCFBDPRSA-N 2 2 342.524 1.985 20 0 EDADLP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)CCOC)C12CCCCC2 ZINC000579430236 448788169 /nfs/dbraw/zinc/78/81/69/448788169.db2.gz NVUUSZYLJRLDIG-RCCFBDPRSA-N 2 2 342.524 1.985 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)CCOC)C12CCCCC2 ZINC000579430236 448788175 /nfs/dbraw/zinc/78/81/75/448788175.db2.gz NVUUSZYLJRLDIG-RCCFBDPRSA-N 2 2 342.524 1.985 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)CCOC)C12CCCCC2 ZINC000579430236 448788179 /nfs/dbraw/zinc/78/81/79/448788179.db2.gz NVUUSZYLJRLDIG-RCCFBDPRSA-N 2 2 342.524 1.985 20 0 EDADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000586755720 448799279 /nfs/dbraw/zinc/79/92/79/448799279.db2.gz DPWCKBBQILQMQG-HNNXBMFYSA-N 2 2 341.459 1.433 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529309656 448816157 /nfs/dbraw/zinc/81/61/57/448816157.db2.gz LQARXWRPCBIEHG-INIZCTEOSA-N 2 2 325.416 1.956 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000519691786 448819814 /nfs/dbraw/zinc/81/98/14/448819814.db2.gz FZEVOLPSVBRLGF-OKILXGFUSA-N 2 2 348.422 1.456 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000519691786 448819818 /nfs/dbraw/zinc/81/98/18/448819818.db2.gz FZEVOLPSVBRLGF-OKILXGFUSA-N 2 2 348.422 1.456 20 0 EDADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(CCc3ccc(F)cc3)C2=O)C1 ZINC000568163293 448824418 /nfs/dbraw/zinc/82/44/18/448824418.db2.gz UBSQMDKJLPPRKG-WBVHZDCISA-N 2 2 347.434 1.427 20 0 EDADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(CCc3ccc(F)cc3)C2=O)C1 ZINC000568163293 448824423 /nfs/dbraw/zinc/82/44/23/448824423.db2.gz UBSQMDKJLPPRKG-WBVHZDCISA-N 2 2 347.434 1.427 20 0 EDADLP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCCC[N@@H+]3CCO)c(C)n2n1 ZINC000574272518 448832641 /nfs/dbraw/zinc/83/26/41/448832641.db2.gz KYSYOMJJNQZCOJ-GDBMZVCRSA-N 2 2 331.464 1.844 20 0 EDADLP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCCC[N@H+]3CCO)c(C)n2n1 ZINC000574272518 448832644 /nfs/dbraw/zinc/83/26/44/448832644.db2.gz KYSYOMJJNQZCOJ-GDBMZVCRSA-N 2 2 331.464 1.844 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000519754423 448836408 /nfs/dbraw/zinc/83/64/08/448836408.db2.gz ISMKKBCNNGIGBR-IAGOWNOFSA-N 3 2 337.512 1.068 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000519754423 448836414 /nfs/dbraw/zinc/83/64/14/448836414.db2.gz ISMKKBCNNGIGBR-IAGOWNOFSA-N 3 2 337.512 1.068 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCCC[C@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000529369600 448844882 /nfs/dbraw/zinc/84/48/82/448844882.db2.gz YYSBBIJIYXUTEV-AWEZNQCLSA-N 2 2 334.468 1.843 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@@H]3CCC(=O)N(C)C3)c2cc1C ZINC000574336847 448848083 /nfs/dbraw/zinc/84/80/83/448848083.db2.gz JUYPYJQDRZQRKS-CVEARBPZSA-N 2 2 344.459 1.567 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@@H]3CCC(=O)N(C)C3)c2cc1C ZINC000574336847 448848087 /nfs/dbraw/zinc/84/80/87/448848087.db2.gz JUYPYJQDRZQRKS-CVEARBPZSA-N 2 2 344.459 1.567 20 0 EDADLP COC(=O)c1ccc2c(c1)nc(C[NH+]1CCC([C@@H](C)[NH3+])CC1)[nH]c2=O ZINC000592471467 448851215 /nfs/dbraw/zinc/85/12/15/448851215.db2.gz HKELXPSORWUXKN-LLVKDONJSA-N 2 2 344.415 1.681 20 0 EDADLP CC(C)[NH2+]CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000574354272 448852850 /nfs/dbraw/zinc/85/28/50/448852850.db2.gz QHUGADOYLJJLKF-HNNXBMFYSA-N 2 2 338.521 1.541 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000592479079 448853767 /nfs/dbraw/zinc/85/37/67/448853767.db2.gz PFTHCABNVQLJDT-ZBFHGGJFSA-N 2 2 330.432 1.799 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000592479079 448853773 /nfs/dbraw/zinc/85/37/73/448853773.db2.gz PFTHCABNVQLJDT-ZBFHGGJFSA-N 2 2 330.432 1.799 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)n1C ZINC000574414753 448870014 /nfs/dbraw/zinc/87/00/14/448870014.db2.gz VAMRJYDKPRSPPA-UHFFFAOYSA-N 2 2 342.443 1.718 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592488215 448859206 /nfs/dbraw/zinc/85/92/06/448859206.db2.gz HHHJVBHQTVRXTL-HIFRSBDPSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592488215 448859209 /nfs/dbraw/zinc/85/92/09/448859209.db2.gz HHHJVBHQTVRXTL-HIFRSBDPSA-N 2 2 333.432 1.861 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCCc2nc3ccccc3s2)[C@H](C[NH3+])C1 ZINC000568627712 448898184 /nfs/dbraw/zinc/89/81/84/448898184.db2.gz DTUVZXZGCIQBII-CYBMUJFWSA-N 2 2 332.473 1.720 20 0 EDADLP C[N@H+]1CCN(C(=O)CCCc2nc3ccccc3s2)[C@H](C[NH3+])C1 ZINC000568627712 448898190 /nfs/dbraw/zinc/89/81/90/448898190.db2.gz DTUVZXZGCIQBII-CYBMUJFWSA-N 2 2 332.473 1.720 20 0 EDADLP C[C@@]1(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC[NH2+]C1 ZINC000568730120 448909402 /nfs/dbraw/zinc/90/94/02/448909402.db2.gz UHNGLGBJIIBIAX-GOSISDBHSA-N 2 2 331.464 1.871 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCOC ZINC000547675393 448913509 /nfs/dbraw/zinc/91/35/09/448913509.db2.gz XDCOLRTUKLARFO-CVEARBPZSA-N 2 2 349.479 1.340 20 0 EDADLP CCC[C@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCOC ZINC000547675393 448913511 /nfs/dbraw/zinc/91/35/11/448913511.db2.gz XDCOLRTUKLARFO-CVEARBPZSA-N 2 2 349.479 1.340 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000579946876 448917072 /nfs/dbraw/zinc/91/70/72/448917072.db2.gz DAPNETJODIHJON-BHIYHBOVSA-N 2 2 332.444 1.845 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000579946876 448917075 /nfs/dbraw/zinc/91/70/75/448917075.db2.gz DAPNETJODIHJON-BHIYHBOVSA-N 2 2 332.444 1.845 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529529439 448891397 /nfs/dbraw/zinc/89/13/97/448891397.db2.gz LBUXRAGAUAECRB-SFHVURJKSA-N 2 2 326.444 1.906 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529529439 448891403 /nfs/dbraw/zinc/89/14/03/448891403.db2.gz LBUXRAGAUAECRB-SFHVURJKSA-N 2 2 326.444 1.906 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCCN1CC[NH2+]CC1 ZINC000520404728 448894002 /nfs/dbraw/zinc/89/40/02/448894002.db2.gz NQKWDTMRNDTSLD-UHFFFAOYSA-N 2 2 329.448 1.146 20 0 EDADLP Cc1cc(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)cc(C)[nH+]1 ZINC000568617659 448895293 /nfs/dbraw/zinc/89/52/93/448895293.db2.gz XZRFUBPTTDXOGM-UHFFFAOYSA-N 2 2 339.443 1.775 20 0 EDADLP CC(C)(C(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1c[nH+]c[nH]1 ZINC000548079378 448979539 /nfs/dbraw/zinc/97/95/39/448979539.db2.gz VIMTZYHSFPRYNN-UHFFFAOYSA-N 2 2 342.443 1.911 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H](C)[NH+]2CC(C)C2)cc1 ZINC000529836955 448980588 /nfs/dbraw/zinc/98/05/88/448980588.db2.gz ROELVIIEGFYWGC-DOTOQJQBSA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H](C)[NH+]2CC(C)C2)cc1 ZINC000529836955 448980594 /nfs/dbraw/zinc/98/05/94/448980594.db2.gz ROELVIIEGFYWGC-DOTOQJQBSA-N 2 2 331.460 1.726 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H](C)O1 ZINC000548086039 448981500 /nfs/dbraw/zinc/98/15/00/448981500.db2.gz LAXYWRICEYODHM-XUWVNRHRSA-N 2 2 346.475 1.930 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H](C)O1 ZINC000548086039 448981502 /nfs/dbraw/zinc/98/15/02/448981502.db2.gz LAXYWRICEYODHM-XUWVNRHRSA-N 2 2 346.475 1.930 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000548086210 448981617 /nfs/dbraw/zinc/98/16/17/448981617.db2.gz NENHGORKLOZPRZ-HUUCEWRRSA-N 2 2 332.448 1.543 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000521004014 448945655 /nfs/dbraw/zinc/94/56/55/448945655.db2.gz MWUPOBSXJYSDDK-OAHLLOKOSA-N 2 2 327.432 1.951 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)CCC2 ZINC000574967562 448999301 /nfs/dbraw/zinc/99/93/01/448999301.db2.gz QIXXZWQHGFKTSA-JKSUJKDBSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CCO)CCC2 ZINC000574967561 448999352 /nfs/dbraw/zinc/99/93/52/448999352.db2.gz QIXXZWQHGFKTSA-HZPDHXFCSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1ccc([C@@H](C[NH2+]C[C@@H](O)COC2CCOCC2)[NH+](C)C)cc1 ZINC000582057640 448999926 /nfs/dbraw/zinc/99/99/26/448999926.db2.gz YIFOBUYLHPSZJV-IEBWSBKVSA-N 2 2 336.476 1.744 20 0 EDADLP Cc1ccc(-n2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cn2)c(C)c1 ZINC000521984082 449035375 /nfs/dbraw/zinc/03/53/75/449035375.db2.gz VNRHGLNCUNJWPR-MRXNPFEDSA-N 2 2 342.447 1.596 20 0 EDADLP Cc1ccc(-n2cc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cn2)c(C)c1 ZINC000521984082 449035381 /nfs/dbraw/zinc/03/53/81/449035381.db2.gz VNRHGLNCUNJWPR-MRXNPFEDSA-N 2 2 342.447 1.596 20 0 EDADLP C[C@@H]1CCc2onc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000521528973 448991955 /nfs/dbraw/zinc/99/19/55/448991955.db2.gz VGYVHEDYZLHZNF-CQSZACIVSA-N 2 2 348.491 1.897 20 0 EDADLP C[C@@H]1CCc2onc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000521528973 448991957 /nfs/dbraw/zinc/99/19/57/448991957.db2.gz VGYVHEDYZLHZNF-CQSZACIVSA-N 2 2 348.491 1.897 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C[NH+]1CCCCC1 ZINC000522317713 449077907 /nfs/dbraw/zinc/07/79/07/449077907.db2.gz DJXQAJJOZYWRNM-AWEZNQCLSA-N 2 2 328.420 1.514 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](F)C3)CC2)CC1 ZINC000522005182 449040434 /nfs/dbraw/zinc/04/04/34/449040434.db2.gz WHOCSUYEDMXSSP-AWEZNQCLSA-N 2 2 326.460 1.689 20 0 EDADLP CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582290693 449057864 /nfs/dbraw/zinc/05/78/64/449057864.db2.gz VTFIQVVBMJDNRL-RDJZCZTQSA-N 2 2 348.491 1.957 20 0 EDADLP CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582290693 449057866 /nfs/dbraw/zinc/05/78/66/449057866.db2.gz VTFIQVVBMJDNRL-RDJZCZTQSA-N 2 2 348.491 1.957 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N[C@H]1CCOc2ccccc21 ZINC000582301403 449060718 /nfs/dbraw/zinc/06/07/18/449060718.db2.gz FFNMREOMBIFSPL-LPHOPBHVSA-N 2 2 329.444 1.702 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N[C@H]1CCOc2ccccc21 ZINC000582301403 449060721 /nfs/dbraw/zinc/06/07/21/449060721.db2.gz FFNMREOMBIFSPL-LPHOPBHVSA-N 2 2 329.444 1.702 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCn3c(nnc3C(F)F)C2)CC1 ZINC000548849529 449105145 /nfs/dbraw/zinc/10/51/45/449105145.db2.gz BLDARVZKJNDPOD-UHFFFAOYSA-N 2 2 342.438 1.447 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCn3c(nnc3C(F)F)C2)CC1 ZINC000548849529 449105150 /nfs/dbraw/zinc/10/51/50/449105150.db2.gz BLDARVZKJNDPOD-UHFFFAOYSA-N 2 2 342.438 1.447 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](CCCCC(=O)OC(C)(C)C)CC1=O ZINC000593049702 449114315 /nfs/dbraw/zinc/11/43/15/449114315.db2.gz CSMYYPRAVVIIFL-UHFFFAOYSA-N 2 2 327.469 1.204 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](CCCCC(=O)OC(C)(C)C)CC1=O ZINC000593049702 449114319 /nfs/dbraw/zinc/11/43/19/449114319.db2.gz CSMYYPRAVVIIFL-UHFFFAOYSA-N 2 2 327.469 1.204 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([S@](C)=O)cc1 ZINC000597989919 449174540 /nfs/dbraw/zinc/17/45/40/449174540.db2.gz NLKCMXQQGXJCJY-QFIPXVFZSA-N 2 2 325.478 1.037 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([S@](C)=O)cc1 ZINC000597989919 449174542 /nfs/dbraw/zinc/17/45/42/449174542.db2.gz NLKCMXQQGXJCJY-QFIPXVFZSA-N 2 2 325.478 1.037 20 0 EDADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000595848735 449205062 /nfs/dbraw/zinc/20/50/62/449205062.db2.gz PARMZDJSYJNNSI-XHSDSOJGSA-N 2 2 345.443 1.897 20 0 EDADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000595848735 449205066 /nfs/dbraw/zinc/20/50/66/449205066.db2.gz PARMZDJSYJNNSI-XHSDSOJGSA-N 2 2 345.443 1.897 20 0 EDADLP COCC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604207724 449192035 /nfs/dbraw/zinc/19/20/35/449192035.db2.gz BHIVDEBPXQPMLK-INIZCTEOSA-N 2 2 338.496 1.223 20 0 EDADLP COCC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000604207724 449192041 /nfs/dbraw/zinc/19/20/41/449192041.db2.gz BHIVDEBPXQPMLK-INIZCTEOSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](c4ccco4)C3)C2)CC1 ZINC000604209696 449194948 /nfs/dbraw/zinc/19/49/48/449194948.db2.gz VUYCFGMWZLYDIX-CVEARBPZSA-N 2 2 346.475 1.947 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](c4ccco4)C3)C2)CC1 ZINC000604209696 449194951 /nfs/dbraw/zinc/19/49/51/449194951.db2.gz VUYCFGMWZLYDIX-CVEARBPZSA-N 2 2 346.475 1.947 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906946 449246220 /nfs/dbraw/zinc/24/62/20/449246220.db2.gz OUQHZJKHLNVIFT-ZIAGYGMSSA-N 2 2 342.484 1.042 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906946 449246222 /nfs/dbraw/zinc/24/62/22/449246222.db2.gz OUQHZJKHLNVIFT-ZIAGYGMSSA-N 2 2 342.484 1.042 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)[C@@H](C)C1 ZINC000602132700 449370436 /nfs/dbraw/zinc/37/04/36/449370436.db2.gz KHXWGKUXKBHPMB-AWEZNQCLSA-N 2 2 344.415 1.352 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)[C@@H](C)C1 ZINC000602132700 449370440 /nfs/dbraw/zinc/37/04/40/449370440.db2.gz KHXWGKUXKBHPMB-AWEZNQCLSA-N 2 2 344.415 1.352 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611741290 449402670 /nfs/dbraw/zinc/40/26/70/449402670.db2.gz XRKPESIYJSTWGI-IAGOWNOFSA-N 2 2 346.475 1.627 20 0 EDADLP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602203736 449432478 /nfs/dbraw/zinc/43/24/78/449432478.db2.gz GVZQOXLSQMRBSJ-CZUORRHYSA-N 2 2 347.507 1.425 20 0 EDADLP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602203736 449432480 /nfs/dbraw/zinc/43/24/80/449432480.db2.gz GVZQOXLSQMRBSJ-CZUORRHYSA-N 2 2 347.507 1.425 20 0 EDADLP O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc2[nH+]ccn2c1 ZINC000617112847 449464303 /nfs/dbraw/zinc/46/43/03/449464303.db2.gz LUHDRCKQQKAYFA-UHFFFAOYSA-N 2 2 342.443 1.955 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000614155088 449482705 /nfs/dbraw/zinc/48/27/05/449482705.db2.gz IFUXXPPZWLBKCA-ZIAGYGMSSA-N 2 2 328.420 1.626 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)O1 ZINC000612056818 449543047 /nfs/dbraw/zinc/54/30/47/449543047.db2.gz KUJWVPHOWTUVRT-KFWWJZLASA-N 2 2 334.464 1.520 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)O1 ZINC000612056818 449543055 /nfs/dbraw/zinc/54/30/55/449543055.db2.gz KUJWVPHOWTUVRT-KFWWJZLASA-N 2 2 334.464 1.520 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607347031 449601007 /nfs/dbraw/zinc/60/10/07/449601007.db2.gz ZAYHKBGLOSFDQX-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607347031 449601012 /nfs/dbraw/zinc/60/10/12/449601012.db2.gz ZAYHKBGLOSFDQX-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607347031 449601017 /nfs/dbraw/zinc/60/10/17/449601017.db2.gz ZAYHKBGLOSFDQX-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607347031 449601021 /nfs/dbraw/zinc/60/10/21/449601021.db2.gz ZAYHKBGLOSFDQX-RYQLBKOJSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000600965273 449619082 /nfs/dbraw/zinc/61/90/82/449619082.db2.gz IXWMSQCFTLCEPW-DOTOQJQBSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000600965273 449619088 /nfs/dbraw/zinc/61/90/88/449619088.db2.gz IXWMSQCFTLCEPW-DOTOQJQBSA-N 2 2 348.466 1.547 20 0 EDADLP CC(C)(C)OC(=O)C1CC[NH+](Cc2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000600969466 449623113 /nfs/dbraw/zinc/62/31/13/449623113.db2.gz FPNOEYBDZOURQC-MRXNPFEDSA-N 2 2 349.479 1.756 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)on1 ZINC000602485068 449626748 /nfs/dbraw/zinc/62/67/48/449626748.db2.gz PGFSZJNATASWNE-CQSZACIVSA-N 2 2 336.436 1.062 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)on1 ZINC000602485068 449626753 /nfs/dbraw/zinc/62/67/53/449626753.db2.gz PGFSZJNATASWNE-CQSZACIVSA-N 2 2 336.436 1.062 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)[nH]c1C ZINC000602487528 449628044 /nfs/dbraw/zinc/62/80/44/449628044.db2.gz RSHQJSGIPGHCDF-DJIMGWMZSA-N 2 2 335.448 1.793 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)[nH]c1C ZINC000602487528 449628047 /nfs/dbraw/zinc/62/80/47/449628047.db2.gz RSHQJSGIPGHCDF-DJIMGWMZSA-N 2 2 335.448 1.793 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000617507895 449658838 /nfs/dbraw/zinc/65/88/38/449658838.db2.gz NVPPDXIGCKIJJD-HNNXBMFYSA-N 3 2 335.496 1.145 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000617507895 449658841 /nfs/dbraw/zinc/65/88/41/449658841.db2.gz NVPPDXIGCKIJJD-HNNXBMFYSA-N 3 2 335.496 1.145 20 0 EDADLP CC[NH+]1CCN(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000608011132 449723413 /nfs/dbraw/zinc/72/34/13/449723413.db2.gz LYISTRSRTSFWIP-UHFFFAOYSA-N 2 2 331.395 1.587 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CCN2C1=O ZINC000594874963 449789495 /nfs/dbraw/zinc/78/94/95/449789495.db2.gz BFOOHVODNHLIMY-RDJZCZTQSA-N 2 2 338.411 1.618 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CCN2C1=O ZINC000594874963 449789498 /nfs/dbraw/zinc/78/94/98/449789498.db2.gz BFOOHVODNHLIMY-RDJZCZTQSA-N 2 2 338.411 1.618 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000617724250 449779470 /nfs/dbraw/zinc/77/94/70/449779470.db2.gz XLYDPYRDLBKCHB-KGLIPLIRSA-N 2 2 336.436 1.109 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000617724250 449779478 /nfs/dbraw/zinc/77/94/78/449779478.db2.gz XLYDPYRDLBKCHB-KGLIPLIRSA-N 2 2 336.436 1.109 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)CO1 ZINC000617725197 449782863 /nfs/dbraw/zinc/78/28/63/449782863.db2.gz IQGJNIOVVOPCFW-DLBZAZTESA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)CO1 ZINC000617725197 449782871 /nfs/dbraw/zinc/78/28/71/449782871.db2.gz IQGJNIOVVOPCFW-DLBZAZTESA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H](C)CO1 ZINC000617725197 449782875 /nfs/dbraw/zinc/78/28/75/449782875.db2.gz IQGJNIOVVOPCFW-DLBZAZTESA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H](C)CO1 ZINC000617725197 449782883 /nfs/dbraw/zinc/78/28/83/449782883.db2.gz IQGJNIOVVOPCFW-DLBZAZTESA-N 2 2 345.487 1.660 20 0 EDADLP Cn1cc(-c2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)o2)cn1 ZINC000617761967 449820743 /nfs/dbraw/zinc/82/07/43/449820743.db2.gz DACCMHOQDWGSDU-UHFFFAOYSA-N 2 2 333.436 1.293 20 0 EDADLP Cn1cc(-c2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)o2)cn1 ZINC000617761967 449820751 /nfs/dbraw/zinc/82/07/51/449820751.db2.gz DACCMHOQDWGSDU-UHFFFAOYSA-N 2 2 333.436 1.293 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC000617763726 449821986 /nfs/dbraw/zinc/82/19/86/449821986.db2.gz YRYFONZZRJGZLZ-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(-c2ncc[nH]2)c1 ZINC000617763726 449821990 /nfs/dbraw/zinc/82/19/90/449821990.db2.gz YRYFONZZRJGZLZ-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1scnc1C(F)(F)F ZINC000617764359 449824951 /nfs/dbraw/zinc/82/49/51/449824951.db2.gz SUJYMJPXNYOFOG-UHFFFAOYSA-N 2 2 338.399 1.775 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1scnc1C(F)(F)F ZINC000617764359 449824958 /nfs/dbraw/zinc/82/49/58/449824958.db2.gz SUJYMJPXNYOFOG-UHFFFAOYSA-N 2 2 338.399 1.775 20 0 EDADLP COCc1nc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000617765789 449826131 /nfs/dbraw/zinc/82/61/31/449826131.db2.gz PWRMPZPGPJEALA-UHFFFAOYSA-N 2 2 328.482 1.211 20 0 EDADLP COCc1nc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617765789 449826138 /nfs/dbraw/zinc/82/61/38/449826138.db2.gz PWRMPZPGPJEALA-UHFFFAOYSA-N 2 2 328.482 1.211 20 0 EDADLP Cc1ccc([C@H](C)[C@@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617765744 449826300 /nfs/dbraw/zinc/82/63/00/449826300.db2.gz OQWFAQXGWRSGIB-FUHWJXTLSA-N 2 2 335.492 1.459 20 0 EDADLP Cc1ccc([C@H](C)[C@@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617765744 449826305 /nfs/dbraw/zinc/82/63/05/449826305.db2.gz OQWFAQXGWRSGIB-FUHWJXTLSA-N 2 2 335.492 1.459 20 0 EDADLP Cc1nc2ccccc2n1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765917 449829416 /nfs/dbraw/zinc/82/94/16/449829416.db2.gz WCNIWLWYOISJIC-UHFFFAOYSA-N 2 2 331.464 1.344 20 0 EDADLP Cc1nc2ccccc2n1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765917 449829420 /nfs/dbraw/zinc/82/94/20/449829420.db2.gz WCNIWLWYOISJIC-UHFFFAOYSA-N 2 2 331.464 1.344 20 0 EDADLP CSc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccn21 ZINC000617766972 449829700 /nfs/dbraw/zinc/82/97/00/449829700.db2.gz AWQJTRBGLLAFRT-UHFFFAOYSA-N 2 2 349.504 1.670 20 0 EDADLP CSc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccn21 ZINC000617766972 449829703 /nfs/dbraw/zinc/82/97/03/449829703.db2.gz AWQJTRBGLLAFRT-UHFFFAOYSA-N 2 2 349.504 1.670 20 0 EDADLP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1-c1ccccn1 ZINC000617768164 449832807 /nfs/dbraw/zinc/83/28/07/449832807.db2.gz RVUKZBNLYCKGEM-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1-c1ccccn1 ZINC000617768164 449832811 /nfs/dbraw/zinc/83/28/11/449832811.db2.gz RVUKZBNLYCKGEM-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334243 449842410 /nfs/dbraw/zinc/84/24/10/449842410.db2.gz JXXQXHTUNWBADY-GDBMZVCRSA-N 2 2 331.416 1.486 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334243 449842413 /nfs/dbraw/zinc/84/24/13/449842413.db2.gz JXXQXHTUNWBADY-GDBMZVCRSA-N 2 2 331.416 1.486 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)[C@@H](C)CO1 ZINC000617734740 449796104 /nfs/dbraw/zinc/79/61/04/449796104.db2.gz HEYNBADFJXRVMH-JKSUJKDBSA-N 2 2 349.475 1.466 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2OCC[NH+](C)C)[C@@H](C)CO1 ZINC000617734740 449796109 /nfs/dbraw/zinc/79/61/09/449796109.db2.gz HEYNBADFJXRVMH-JKSUJKDBSA-N 2 2 349.475 1.466 20 0 EDADLP CCOC(=O)c1noc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000602847250 449854726 /nfs/dbraw/zinc/85/47/26/449854726.db2.gz KAHGVLAJALMDLT-UHFFFAOYSA-N 2 2 331.376 1.354 20 0 EDADLP CCOC(=O)c1noc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000602847250 449854733 /nfs/dbraw/zinc/85/47/33/449854733.db2.gz KAHGVLAJALMDLT-UHFFFAOYSA-N 2 2 331.376 1.354 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000612865444 449916251 /nfs/dbraw/zinc/91/62/51/449916251.db2.gz QYQNFCWCRYVZQU-QWQRMKEZSA-N 2 2 347.463 1.246 20 0 EDADLP CCC1([NH+](C)C)CC[NH+]([C@@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000602966570 449968620 /nfs/dbraw/zinc/96/86/20/449968620.db2.gz KAHSXRCTFIMTGU-OAHLLOKOSA-N 2 2 339.480 1.347 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1[NH+]1CCCC1 ZINC000597505831 450069049 /nfs/dbraw/zinc/06/90/49/450069049.db2.gz POXXDJYCINBBEX-VBNZEHGJSA-N 2 2 334.489 1.553 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1[NH+]1CCCC1 ZINC000597505831 450069052 /nfs/dbraw/zinc/06/90/52/450069052.db2.gz POXXDJYCINBBEX-VBNZEHGJSA-N 2 2 334.489 1.553 20 0 EDADLP CSCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000610401642 450207780 /nfs/dbraw/zinc/20/77/80/450207780.db2.gz SESUPIPDGXNIKH-UHFFFAOYSA-N 2 2 328.526 1.599 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000618548116 450237891 /nfs/dbraw/zinc/23/78/91/450237891.db2.gz JHYXOXQKTSSRBF-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000618548116 450237894 /nfs/dbraw/zinc/23/78/94/450237894.db2.gz JHYXOXQKTSSRBF-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP Fc1cccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1F ZINC000603550581 450322609 /nfs/dbraw/zinc/32/26/09/450322609.db2.gz MKVQYSIBFASVMO-UHFFFAOYSA-N 2 2 339.430 1.851 20 0 EDADLP Fc1cccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1F ZINC000603550581 450322614 /nfs/dbraw/zinc/32/26/14/450322614.db2.gz MKVQYSIBFASVMO-UHFFFAOYSA-N 2 2 339.430 1.851 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000623271338 450473214 /nfs/dbraw/zinc/47/32/14/450473214.db2.gz YROKOBLHMUERCB-DOTOQJQBSA-N 2 2 342.468 1.714 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000623306868 450491438 /nfs/dbraw/zinc/49/14/38/450491438.db2.gz WCYMUHOAJHWSJG-INIZCTEOSA-N 2 2 339.443 1.934 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000625848102 450520823 /nfs/dbraw/zinc/52/08/23/450520823.db2.gz QUFPBKBQBNBNMQ-IJEWVQPXSA-N 2 2 332.448 1.779 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000625848102 450520826 /nfs/dbraw/zinc/52/08/26/450520826.db2.gz QUFPBKBQBNBNMQ-IJEWVQPXSA-N 2 2 332.448 1.779 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623590174 450548011 /nfs/dbraw/zinc/54/80/11/450548011.db2.gz HLWTYHFIUQXWDQ-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623590174 450548013 /nfs/dbraw/zinc/54/80/13/450548013.db2.gz HLWTYHFIUQXWDQ-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623590174 450548014 /nfs/dbraw/zinc/54/80/14/450548014.db2.gz HLWTYHFIUQXWDQ-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623590174 450548016 /nfs/dbraw/zinc/54/80/16/450548016.db2.gz HLWTYHFIUQXWDQ-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000623599510 450549723 /nfs/dbraw/zinc/54/97/23/450549723.db2.gz KCYCMQOHGCMARG-MRXNPFEDSA-N 2 2 326.485 1.272 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000623599510 450549725 /nfs/dbraw/zinc/54/97/25/450549725.db2.gz KCYCMQOHGCMARG-MRXNPFEDSA-N 2 2 326.485 1.272 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000623617811 450552428 /nfs/dbraw/zinc/55/24/28/450552428.db2.gz QFRVXVBZEOUEKJ-INIZCTEOSA-N 2 2 327.432 1.506 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000623617811 450552430 /nfs/dbraw/zinc/55/24/30/450552430.db2.gz QFRVXVBZEOUEKJ-INIZCTEOSA-N 2 2 327.432 1.506 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCn4nccc43)C2)CC1 ZINC000633041462 450640216 /nfs/dbraw/zinc/64/02/16/450640216.db2.gz DIFJCCXBXAPOTN-GOEBONIOSA-N 2 2 346.479 1.186 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCn4nccc43)C2)CC1 ZINC000633041462 450640220 /nfs/dbraw/zinc/64/02/20/450640220.db2.gz DIFJCCXBXAPOTN-GOEBONIOSA-N 2 2 346.479 1.186 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[NH+](Cc3ccc(O)cc3)CC2)nc[nH+]1 ZINC000631537885 450642495 /nfs/dbraw/zinc/64/24/95/450642495.db2.gz ZVOCKLXATLSEBV-AWEZNQCLSA-N 2 2 343.431 1.297 20 0 EDADLP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000631577954 450663169 /nfs/dbraw/zinc/66/31/69/450663169.db2.gz ZDHRNAJVOQYVIM-HNNXBMFYSA-N 2 2 328.460 1.853 20 0 EDADLP COC1CC[NH+](CCNc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000624025339 450675156 /nfs/dbraw/zinc/67/51/56/450675156.db2.gz XNAYSYNSMRHRBK-UHFFFAOYSA-N 2 2 325.416 2.405 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)CC1 ZINC000629436262 450681082 /nfs/dbraw/zinc/68/10/82/450681082.db2.gz RZMVSKWXGQLQDL-GOSISDBHSA-N 2 2 346.475 1.131 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)CC1 ZINC000629436262 450681086 /nfs/dbraw/zinc/68/10/86/450681086.db2.gz RZMVSKWXGQLQDL-GOSISDBHSA-N 2 2 346.475 1.131 20 0 EDADLP O=S(=O)(CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccn1 ZINC000629546791 450728388 /nfs/dbraw/zinc/72/83/88/450728388.db2.gz PUKQQFKGQAGCTM-INIZCTEOSA-N 2 2 337.489 1.567 20 0 EDADLP COc1nc(C)cc(C)c1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000621388543 450710815 /nfs/dbraw/zinc/71/08/15/450710815.db2.gz AKOSDDMXVYUNKM-UHFFFAOYSA-N 2 2 334.464 1.303 20 0 EDADLP COc1nc(C)cc(C)c1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000621388543 450710822 /nfs/dbraw/zinc/71/08/22/450710822.db2.gz AKOSDDMXVYUNKM-UHFFFAOYSA-N 2 2 334.464 1.303 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629595844 450755055 /nfs/dbraw/zinc/75/50/55/450755055.db2.gz RIPSRMQZERIEMF-CALCHBBNSA-N 2 2 337.489 1.368 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629595844 450755061 /nfs/dbraw/zinc/75/50/61/450755061.db2.gz RIPSRMQZERIEMF-CALCHBBNSA-N 2 2 337.489 1.368 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595113 450755302 /nfs/dbraw/zinc/75/53/02/450755302.db2.gz NNZNXLNXIFZZRN-SOHDHNSJSA-N 2 2 343.471 1.946 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595113 450755306 /nfs/dbraw/zinc/75/53/06/450755306.db2.gz NNZNXLNXIFZZRN-SOHDHNSJSA-N 2 2 343.471 1.946 20 0 EDADLP CCc1c[nH]c(CC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)[nH+]1 ZINC000635254949 450787919 /nfs/dbraw/zinc/78/79/19/450787919.db2.gz ZFXMVVRFSQVHEU-UHFFFAOYSA-N 2 2 341.459 1.453 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000621642180 450806636 /nfs/dbraw/zinc/80/66/36/450806636.db2.gz HBHPOKOCVXVXMV-MRXNPFEDSA-N 3 2 336.524 1.441 20 0 EDADLP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000635313237 450837561 /nfs/dbraw/zinc/83/75/61/450837561.db2.gz SPVRLLQSWQTCBL-MRXNPFEDSA-N 2 2 332.492 1.390 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888188 450850925 /nfs/dbraw/zinc/85/09/25/450850925.db2.gz WYBJKCQECWJYTI-RDJZCZTQSA-N 2 2 337.489 1.511 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888188 450850928 /nfs/dbraw/zinc/85/09/28/450850928.db2.gz WYBJKCQECWJYTI-RDJZCZTQSA-N 2 2 337.489 1.511 20 0 EDADLP CCn1ncc(Cl)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621866413 450906266 /nfs/dbraw/zinc/90/62/66/450906266.db2.gz VGXNBDFVLWICLX-LBPRGKRZSA-N 2 2 339.871 1.455 20 0 EDADLP CCn1ncc(Cl)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621866413 450906268 /nfs/dbraw/zinc/90/62/68/450906268.db2.gz VGXNBDFVLWICLX-LBPRGKRZSA-N 2 2 339.871 1.455 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[NH+](CCc3cccs3)CC2)[nH+]1 ZINC000635413961 450920721 /nfs/dbraw/zinc/92/07/21/450920721.db2.gz CZKBUALFNWAWFV-UHFFFAOYSA-N 2 2 332.473 1.963 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC000629963005 450920949 /nfs/dbraw/zinc/92/09/49/450920949.db2.gz QZDDRQIHGOTMKI-INIZCTEOSA-N 2 2 345.491 1.193 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629963005 450920953 /nfs/dbraw/zinc/92/09/53/450920953.db2.gz QZDDRQIHGOTMKI-INIZCTEOSA-N 2 2 345.491 1.193 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3COCC[N@H+]3C)CC2)c1 ZINC000624746683 450978572 /nfs/dbraw/zinc/97/85/72/450978572.db2.gz XXOOEGZOEGGJHN-SFHVURJKSA-N 2 2 346.475 1.153 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3COCC[N@@H+]3C)CC2)c1 ZINC000624746683 450978576 /nfs/dbraw/zinc/97/85/76/450978576.db2.gz XXOOEGZOEGGJHN-SFHVURJKSA-N 2 2 346.475 1.153 20 0 EDADLP C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000635505721 451000515 /nfs/dbraw/zinc/00/05/15/451000515.db2.gz DCXCXYOQMROMFI-AVGNSLFASA-N 2 2 348.369 1.602 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000626921069 451004737 /nfs/dbraw/zinc/00/47/37/451004737.db2.gz PHLMIDBGEUNZEH-BPQIPLTHSA-N 2 2 346.475 1.327 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000626921069 451004742 /nfs/dbraw/zinc/00/47/42/451004742.db2.gz PHLMIDBGEUNZEH-BPQIPLTHSA-N 2 2 346.475 1.327 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000626921071 451005212 /nfs/dbraw/zinc/00/52/12/451005212.db2.gz PHLMIDBGEUNZEH-NJAFHUGGSA-N 2 2 346.475 1.327 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH2+]1 ZINC000626921071 451005218 /nfs/dbraw/zinc/00/52/18/451005218.db2.gz PHLMIDBGEUNZEH-NJAFHUGGSA-N 2 2 346.475 1.327 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626939465 451020525 /nfs/dbraw/zinc/02/05/25/451020525.db2.gz FNPZZTVQWLEXMW-GRYCIOLGSA-N 2 2 333.358 1.440 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000635533598 451029917 /nfs/dbraw/zinc/02/99/17/451029917.db2.gz WHFFJOJCCPBFHJ-RTBURBONSA-N 2 2 345.487 1.219 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000635533598 451029924 /nfs/dbraw/zinc/02/99/24/451029924.db2.gz WHFFJOJCCPBFHJ-RTBURBONSA-N 2 2 345.487 1.219 20 0 EDADLP CCc1c[nH]c(CC(=O)N[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)[nH+]1 ZINC000635542705 451038181 /nfs/dbraw/zinc/03/81/81/451038181.db2.gz QGQUPYRANSTUQJ-HNNXBMFYSA-N 2 2 342.447 1.707 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCCF)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000627958334 451052152 /nfs/dbraw/zinc/05/21/52/451052152.db2.gz PQANZGQPFYDZFP-MRXNPFEDSA-N 2 2 333.451 1.937 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCCF)CC1)[N@H+]1CCc2ccccc2C1 ZINC000627958334 451052158 /nfs/dbraw/zinc/05/21/58/451052158.db2.gz PQANZGQPFYDZFP-MRXNPFEDSA-N 2 2 333.451 1.937 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3[nH]c(C)nc3C)CC2)CC1 ZINC000622111765 451047278 /nfs/dbraw/zinc/04/72/78/451047278.db2.gz FBZYWPVXIBUJMX-UHFFFAOYSA-N 2 2 333.480 1.659 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3[nH]c(C)nc3C)CC2)CC1 ZINC000622111765 451047283 /nfs/dbraw/zinc/04/72/83/451047283.db2.gz FBZYWPVXIBUJMX-UHFFFAOYSA-N 2 2 333.480 1.659 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000635552827 451049743 /nfs/dbraw/zinc/04/97/43/451049743.db2.gz UQHGYOOWEIGWSK-MRXNPFEDSA-N 2 2 333.480 1.142 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000635552827 451049747 /nfs/dbraw/zinc/04/97/47/451049747.db2.gz UQHGYOOWEIGWSK-MRXNPFEDSA-N 2 2 333.480 1.142 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000635552826 451050136 /nfs/dbraw/zinc/05/01/36/451050136.db2.gz UQHGYOOWEIGWSK-INIZCTEOSA-N 2 2 333.480 1.142 20 0 EDADLP CCc1c[nH]c(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000635552826 451050139 /nfs/dbraw/zinc/05/01/39/451050139.db2.gz UQHGYOOWEIGWSK-INIZCTEOSA-N 2 2 333.480 1.142 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H](C[NH3+])C2CCCC2)nc(C(C)C)[nH+]1 ZINC000627090361 451120410 /nfs/dbraw/zinc/12/04/10/451120410.db2.gz UPVKUVKIODXVJF-OAHLLOKOSA-N 2 2 348.495 2.137 20 0 EDADLP CCC1([NH+]2CCCC2)CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000633957812 451122773 /nfs/dbraw/zinc/12/27/73/451122773.db2.gz YYZGLGKPLVKXFP-UHFFFAOYSA-N 2 2 335.492 1.718 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC1CC[NH+](CC3CC3)CC1)CC2 ZINC000628158542 451162570 /nfs/dbraw/zinc/16/25/70/451162570.db2.gz QQOCIQVHUSVRJH-QGZVFWFLSA-N 2 2 330.476 1.992 20 0 EDADLP C[NH2+]CCOCCNC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000627172407 451163987 /nfs/dbraw/zinc/16/39/87/451163987.db2.gz YHCVWLMVRKGJCO-HNNXBMFYSA-N 2 2 331.420 1.377 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000625131695 451179281 /nfs/dbraw/zinc/17/92/81/451179281.db2.gz BYOYWVOCNXMDNR-OAHLLOKOSA-N 2 2 334.464 1.371 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635705767 451186241 /nfs/dbraw/zinc/18/62/41/451186241.db2.gz YDHXPMLWLYJFNI-MUIFIZLQSA-N 2 2 332.448 1.397 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635705767 451186246 /nfs/dbraw/zinc/18/62/46/451186246.db2.gz YDHXPMLWLYJFNI-MUIFIZLQSA-N 2 2 332.448 1.397 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)cc1 ZINC000635712975 451191432 /nfs/dbraw/zinc/19/14/32/451191432.db2.gz WVHRBIQPBZNAQC-QGTPRVQTSA-N 2 2 347.459 1.105 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)cc1 ZINC000635712975 451191437 /nfs/dbraw/zinc/19/14/37/451191437.db2.gz WVHRBIQPBZNAQC-QGTPRVQTSA-N 2 2 347.459 1.105 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000635712975 451191443 /nfs/dbraw/zinc/19/14/43/451191443.db2.gz WVHRBIQPBZNAQC-QGTPRVQTSA-N 2 2 347.459 1.105 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000635712975 451191446 /nfs/dbraw/zinc/19/14/46/451191446.db2.gz WVHRBIQPBZNAQC-QGTPRVQTSA-N 2 2 347.459 1.105 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000634124803 451199473 /nfs/dbraw/zinc/19/94/73/451199473.db2.gz MJXUQEAJPGYBBT-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000634124803 451199477 /nfs/dbraw/zinc/19/94/77/451199477.db2.gz MJXUQEAJPGYBBT-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000627235974 451202277 /nfs/dbraw/zinc/20/22/77/451202277.db2.gz AFMPOURMAIJJAZ-QMMRJVTOSA-N 2 2 328.460 1.777 20 0 EDADLP CO[C@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C(F)(F)F ZINC000634195357 451232620 /nfs/dbraw/zinc/23/26/20/451232620.db2.gz YEBNQSXYNNKCEI-GFCCVEGCSA-N 2 2 346.353 1.739 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000638082945 451246598 /nfs/dbraw/zinc/24/65/98/451246598.db2.gz YZIVZZBYKBULLH-RBSFLKMASA-N 2 2 335.448 1.761 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000630578167 451258506 /nfs/dbraw/zinc/25/85/06/451258506.db2.gz FPGGYLXNQZRWRI-CEXWTWQISA-N 2 2 345.487 1.734 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000630578167 451258511 /nfs/dbraw/zinc/25/85/11/451258511.db2.gz FPGGYLXNQZRWRI-CEXWTWQISA-N 2 2 345.487 1.734 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000630578167 451258517 /nfs/dbraw/zinc/25/85/17/451258517.db2.gz FPGGYLXNQZRWRI-CEXWTWQISA-N 2 2 345.487 1.734 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000630578167 451258523 /nfs/dbraw/zinc/25/85/23/451258523.db2.gz FPGGYLXNQZRWRI-CEXWTWQISA-N 2 2 345.487 1.734 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[C@@H](C)C1 ZINC000635818835 451266848 /nfs/dbraw/zinc/26/68/48/451266848.db2.gz MRJUUIJBRHSHDY-RWMBFGLXSA-N 2 2 348.369 1.290 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)[C@@H](C)C1 ZINC000635818835 451266853 /nfs/dbraw/zinc/26/68/53/451266853.db2.gz MRJUUIJBRHSHDY-RWMBFGLXSA-N 2 2 348.369 1.290 20 0 EDADLP CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCC(C)CC1 ZINC000636536469 451278721 /nfs/dbraw/zinc/27/87/21/451278721.db2.gz IXCQOZIUIHOEEB-HNNXBMFYSA-N 2 2 349.479 1.241 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000635830806 451279701 /nfs/dbraw/zinc/27/97/01/451279701.db2.gz CBZXWIHCMSIBTI-UHFFFAOYSA-N 2 2 333.476 1.076 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000635830806 451279704 /nfs/dbraw/zinc/27/97/04/451279704.db2.gz CBZXWIHCMSIBTI-UHFFFAOYSA-N 2 2 333.476 1.076 20 0 EDADLP C[NH+](CCc1ccccc1)CC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000635830806 451279707 /nfs/dbraw/zinc/27/97/07/451279707.db2.gz CBZXWIHCMSIBTI-UHFFFAOYSA-N 2 2 333.476 1.076 20 0 EDADLP C[NH+](CCc1ccccc1)CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000635830806 451279711 /nfs/dbraw/zinc/27/97/11/451279711.db2.gz CBZXWIHCMSIBTI-UHFFFAOYSA-N 2 2 333.476 1.076 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000635830991 451279889 /nfs/dbraw/zinc/27/98/89/451279889.db2.gz VHMNXZZSCYEFDS-HNNXBMFYSA-N 2 2 342.447 1.529 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000635830991 451279893 /nfs/dbraw/zinc/27/98/93/451279893.db2.gz VHMNXZZSCYEFDS-HNNXBMFYSA-N 2 2 342.447 1.529 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634305603 451289211 /nfs/dbraw/zinc/28/92/11/451289211.db2.gz WZCMYRBSMSAATB-UHFFFAOYSA-N 2 2 331.445 1.456 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000638125689 451295815 /nfs/dbraw/zinc/29/58/15/451295815.db2.gz GIAPTFXOAHFYCL-RBUKOAKNSA-N 2 2 346.519 1.779 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000638125689 451295820 /nfs/dbraw/zinc/29/58/20/451295820.db2.gz GIAPTFXOAHFYCL-RBUKOAKNSA-N 2 2 346.519 1.779 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000638137385 451311185 /nfs/dbraw/zinc/31/11/85/451311185.db2.gz JQMWTPOMPBVORZ-MJGOQNOKSA-N 2 2 346.475 1.140 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000636587630 451327389 /nfs/dbraw/zinc/32/73/89/451327389.db2.gz IAIQBPFBYHUFTN-SJORKVTESA-N 2 2 339.443 1.772 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000636587630 451327393 /nfs/dbraw/zinc/32/73/93/451327393.db2.gz IAIQBPFBYHUFTN-SJORKVTESA-N 2 2 339.443 1.772 20 0 EDADLP CC1(C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000640522785 451373179 /nfs/dbraw/zinc/37/31/79/451373179.db2.gz VRNCXNMSAKPYJN-BMFZPTHFSA-N 2 2 332.448 1.061 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636610005 451349445 /nfs/dbraw/zinc/34/94/45/451349445.db2.gz IRERPZCYNJOLOY-OKILXGFUSA-N 2 2 349.479 1.241 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636610005 451349449 /nfs/dbraw/zinc/34/94/49/451349449.db2.gz IRERPZCYNJOLOY-OKILXGFUSA-N 2 2 349.479 1.241 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[N@H+]3C)cc2[nH+]1 ZINC000635959105 451398824 /nfs/dbraw/zinc/39/88/24/451398824.db2.gz CJQQXMHZHIIDRZ-JKSUJKDBSA-N 2 2 328.416 1.578 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CCC[N@@H+]3C)cc2[nH+]1 ZINC000635959105 451398827 /nfs/dbraw/zinc/39/88/27/451398827.db2.gz CJQQXMHZHIIDRZ-JKSUJKDBSA-N 2 2 328.416 1.578 20 0 EDADLP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000636677157 451406828 /nfs/dbraw/zinc/40/68/28/451406828.db2.gz WEPYIEFVUCKHHO-MRXNPFEDSA-N 2 2 327.432 1.759 20 0 EDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC000636677157 451406832 /nfs/dbraw/zinc/40/68/32/451406832.db2.gz WEPYIEFVUCKHHO-MRXNPFEDSA-N 2 2 327.432 1.759 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000638296054 451411825 /nfs/dbraw/zinc/41/18/25/451411825.db2.gz DKWROCCZVKKEEF-QRTARXTBSA-N 2 2 337.489 1.720 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000638296749 451412195 /nfs/dbraw/zinc/41/21/95/451412195.db2.gz BTSFDDKGMGKZNG-GBJTYRQASA-N 2 2 341.814 1.457 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000638296749 451412199 /nfs/dbraw/zinc/41/21/99/451412199.db2.gz BTSFDDKGMGKZNG-GBJTYRQASA-N 2 2 341.814 1.457 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H]1C(C)(C)C ZINC000640629154 451475848 /nfs/dbraw/zinc/47/58/48/451475848.db2.gz SQMZLTPBQXETNJ-AWEZNQCLSA-N 2 2 328.420 1.465 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H]1C(C)(C)C ZINC000640629154 451475855 /nfs/dbraw/zinc/47/58/55/451475855.db2.gz SQMZLTPBQXETNJ-AWEZNQCLSA-N 2 2 328.420 1.465 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634706453 451484155 /nfs/dbraw/zinc/48/41/55/451484155.db2.gz PNCCASLHAGZEKA-HGKSCXNLSA-N 2 2 343.471 1.222 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634706453 451484159 /nfs/dbraw/zinc/48/41/59/451484159.db2.gz PNCCASLHAGZEKA-HGKSCXNLSA-N 2 2 343.471 1.222 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000640649459 451486709 /nfs/dbraw/zinc/48/67/09/451486709.db2.gz QNXFGZSJWFSBCR-GFCCVEGCSA-N 2 2 344.381 1.880 20 0 EDADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000634718942 451497999 /nfs/dbraw/zinc/49/79/99/451497999.db2.gz LYIFKYYATPIBFE-CFVMTHIKSA-N 2 2 332.366 1.525 20 0 EDADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000634718942 451498005 /nfs/dbraw/zinc/49/80/05/451498005.db2.gz LYIFKYYATPIBFE-CFVMTHIKSA-N 2 2 332.366 1.525 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000634724051 451504304 /nfs/dbraw/zinc/50/43/04/451504304.db2.gz IUATYCKMSXCCBC-MISYRCLQSA-N 3 2 331.504 1.801 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000634724051 451504309 /nfs/dbraw/zinc/50/43/09/451504309.db2.gz IUATYCKMSXCCBC-MISYRCLQSA-N 3 2 331.504 1.801 20 0 EDADLP C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1(C)C ZINC000636090623 451509150 /nfs/dbraw/zinc/50/91/50/451509150.db2.gz LTAPLUXZFYWGLX-ROUUACIJSA-N 2 2 345.487 1.977 20 0 EDADLP O=C(C[N@@H+]1CCO[C@H](C(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000634753005 451526670 /nfs/dbraw/zinc/52/66/70/451526670.db2.gz WTNKKTVYRUTXAY-AWEZNQCLSA-N 2 2 331.407 1.085 20 0 EDADLP O=C(C[N@H+]1CCO[C@H](C(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000634753005 451526673 /nfs/dbraw/zinc/52/66/73/451526673.db2.gz WTNKKTVYRUTXAY-AWEZNQCLSA-N 2 2 331.407 1.085 20 0 EDADLP COCC1(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000638463072 451528591 /nfs/dbraw/zinc/52/85/91/451528591.db2.gz QXQFHPKFJBVPIG-UHFFFAOYSA-N 3 2 332.492 2.000 20 0 EDADLP Cc1nc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631057329 451559232 /nfs/dbraw/zinc/55/92/32/451559232.db2.gz UQBIOTSKVFKQCK-BETUJISGSA-N 2 2 342.447 1.405 20 0 EDADLP Cc1nc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631057329 451559236 /nfs/dbraw/zinc/55/92/36/451559236.db2.gz UQBIOTSKVFKQCK-BETUJISGSA-N 2 2 342.447 1.405 20 0 EDADLP Cc1nc(N)nc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[nH+]1 ZINC000631057329 451559239 /nfs/dbraw/zinc/55/92/39/451559239.db2.gz UQBIOTSKVFKQCK-BETUJISGSA-N 2 2 342.447 1.405 20 0 EDADLP Cc1nc(N)nc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[nH+]1 ZINC000631057329 451559242 /nfs/dbraw/zinc/55/92/42/451559242.db2.gz UQBIOTSKVFKQCK-BETUJISGSA-N 2 2 342.447 1.405 20 0 EDADLP COCCc1ncc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000631074799 451569614 /nfs/dbraw/zinc/56/96/14/451569614.db2.gz JGCTXVWFYSGTED-CQSZACIVSA-N 2 2 339.505 1.923 20 0 EDADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)ccc1F ZINC000631073751 451569840 /nfs/dbraw/zinc/56/98/40/451569840.db2.gz OLABJRHONLSVHM-HNNXBMFYSA-N 2 2 347.438 1.805 20 0 EDADLP Cc1nc2ccccc2nc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000638570547 451581891 /nfs/dbraw/zinc/58/18/91/451581891.db2.gz CYOHPLMIRDPTBF-HNNXBMFYSA-N 2 2 341.459 1.615 20 0 EDADLP Cc1nc2ccccc2nc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000638570547 451581894 /nfs/dbraw/zinc/58/18/94/451581894.db2.gz CYOHPLMIRDPTBF-HNNXBMFYSA-N 2 2 341.459 1.615 20 0 EDADLP OC[C@H](CC1CC1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631104528 451585511 /nfs/dbraw/zinc/58/55/11/451585511.db2.gz DOAOTZXMORFEGT-SFHVURJKSA-N 2 2 334.460 1.648 20 0 EDADLP Cc1cc(NCCNC(=O)c2ccc(C[NH3+])cc2)nc(C(C)C)[nH+]1 ZINC000638584847 451590944 /nfs/dbraw/zinc/59/09/44/451590944.db2.gz ZQQBZTIUGIUJRB-UHFFFAOYSA-N 2 2 327.432 2.209 20 0 EDADLP CC1(C)[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000631115783 451592453 /nfs/dbraw/zinc/59/24/53/451592453.db2.gz YYLNWQUCZWOUGW-MSOLQXFVSA-N 2 2 334.460 1.647 20 0 EDADLP Cn1nc2c(c1C[NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCCC2 ZINC000631091789 451578868 /nfs/dbraw/zinc/57/88/68/451578868.db2.gz QIMNOEBMZCNPTM-PKOBYXMFSA-N 2 2 332.492 1.766 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccn(C)n1 ZINC000631157918 451615880 /nfs/dbraw/zinc/61/58/80/451615880.db2.gz JJMFHYCYWSJONU-MRXNPFEDSA-N 2 2 344.459 1.982 20 0 EDADLP CO[C@@H](C[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CCOCC1 ZINC000638636626 451624872 /nfs/dbraw/zinc/62/48/72/451624872.db2.gz FHNXJMIXZRIFJV-KRWDZBQOSA-N 2 2 328.497 1.907 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000638720834 451665013 /nfs/dbraw/zinc/66/50/13/451665013.db2.gz KSXHGMPITCAKLK-XJKSGUPXSA-N 2 2 326.448 1.444 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000638720834 451665017 /nfs/dbraw/zinc/66/50/17/451665017.db2.gz KSXHGMPITCAKLK-XJKSGUPXSA-N 2 2 326.448 1.444 20 0 EDADLP Cc1nnc(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)o1 ZINC000636314360 451674617 /nfs/dbraw/zinc/67/46/17/451674617.db2.gz ZKUPCPCFQJIEMM-UHFFFAOYSA-N 2 2 330.392 1.096 20 0 EDADLP CO[C@]1(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCOC1 ZINC000638774124 451686213 /nfs/dbraw/zinc/68/62/13/451686213.db2.gz DUVSLCFDAGLCTN-SFHVURJKSA-N 2 2 334.464 1.829 20 0 EDADLP C[C@H]1C[C@H]1c1noc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000631340040 451701954 /nfs/dbraw/zinc/70/19/54/451701954.db2.gz KYDOJIPJZRXODD-SWLSCSKDSA-N 2 2 347.463 1.481 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)[C@H]3CCCCO3)C2)CC1 ZINC000631259842 451667866 /nfs/dbraw/zinc/66/78/66/451667866.db2.gz ZLMXCYQYUCAGSK-NVXWUHKLSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)[C@H]3CCCCO3)C2)CC1 ZINC000631259842 451667870 /nfs/dbraw/zinc/66/78/70/451667870.db2.gz ZLMXCYQYUCAGSK-NVXWUHKLSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1Cc1ccccc1 ZINC000637150643 451741517 /nfs/dbraw/zinc/74/15/17/451741517.db2.gz PVMRDBGSFQLMIW-UWWQBHOKSA-N 2 2 339.443 1.770 20 0 EDADLP CC(C)[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[NH+]1CCCCC1 ZINC000638985726 451746380 /nfs/dbraw/zinc/74/63/80/451746380.db2.gz FISDDVKPCMHQJQ-GOSISDBHSA-N 3 2 345.491 1.940 20 0 EDADLP [NH3+][C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1F ZINC000638986012 451746524 /nfs/dbraw/zinc/74/65/24/451746524.db2.gz RQSQVPWSCCUUPB-INIZCTEOSA-N 3 2 347.369 1.408 20 0 EDADLP COc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(O)c1 ZINC000638985061 451746832 /nfs/dbraw/zinc/74/68/32/451746832.db2.gz YEPBTQFYEDGKCO-UHFFFAOYSA-N 2 2 328.372 1.458 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638988872 451748377 /nfs/dbraw/zinc/74/83/77/451748377.db2.gz JPFMXTFBWSKGEV-AWEZNQCLSA-N 2 2 338.477 1.003 20 0 EDADLP COCC[NH2+]CCc1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000641129304 451757361 /nfs/dbraw/zinc/75/73/61/451757361.db2.gz GZZSFQCMXXARFT-UHFFFAOYSA-N 2 2 326.404 1.291 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639088543 451766411 /nfs/dbraw/zinc/76/64/11/451766411.db2.gz WRSPNJRPIOXXCQ-NVXWUHKLSA-N 2 2 337.489 1.493 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639088543 451766412 /nfs/dbraw/zinc/76/64/12/451766412.db2.gz WRSPNJRPIOXXCQ-NVXWUHKLSA-N 2 2 337.489 1.493 20 0 EDADLP C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639127325 451773072 /nfs/dbraw/zinc/77/30/72/451773072.db2.gz PRENIHIOONQRTF-IBGZPJMESA-N 2 2 347.459 1.095 20 0 EDADLP C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639127325 451773075 /nfs/dbraw/zinc/77/30/75/451773075.db2.gz PRENIHIOONQRTF-IBGZPJMESA-N 2 2 347.459 1.095 20 0 EDADLP CO[C@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000639327199 451827754 /nfs/dbraw/zinc/82/77/54/451827754.db2.gz LQUXKNKBFQLMBH-SLFFLAALSA-N 2 2 347.503 1.444 20 0 EDADLP CO[C@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000639327199 451827755 /nfs/dbraw/zinc/82/77/55/451827755.db2.gz LQUXKNKBFQLMBH-SLFFLAALSA-N 2 2 347.503 1.444 20 0 EDADLP CN(C)c1ncccc1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644521030 451838746 /nfs/dbraw/zinc/83/87/46/451838746.db2.gz SORIAJRWCWAQRD-SFHVURJKSA-N 2 2 328.460 1.730 20 0 EDADLP CN(C)c1ncccc1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644521030 451838749 /nfs/dbraw/zinc/83/87/49/451838749.db2.gz SORIAJRWCWAQRD-SFHVURJKSA-N 2 2 328.460 1.730 20 0 EDADLP CN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641321693 451845260 /nfs/dbraw/zinc/84/52/60/451845260.db2.gz YPLCPBRMNARSHK-UHFFFAOYSA-N 2 2 337.489 1.391 20 0 EDADLP CN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641321693 451845264 /nfs/dbraw/zinc/84/52/64/451845264.db2.gz YPLCPBRMNARSHK-UHFFFAOYSA-N 2 2 337.489 1.391 20 0 EDADLP CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644618062 451897841 /nfs/dbraw/zinc/89/78/41/451897841.db2.gz AWXJSRJHHJMMPE-MRXNPFEDSA-N 2 2 346.475 1.574 20 0 EDADLP CCc1nn(C)c(OC)c1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644618062 451897847 /nfs/dbraw/zinc/89/78/47/451897847.db2.gz AWXJSRJHHJMMPE-MRXNPFEDSA-N 2 2 346.475 1.574 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)c1ccc(F)cc1 ZINC000637439785 451855969 /nfs/dbraw/zinc/85/59/69/451855969.db2.gz BVTRDHAJUQTANF-JKSUJKDBSA-N 2 2 338.427 1.058 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1COCC[N@H+]1C)c1ccc(F)cc1 ZINC000637439785 451855975 /nfs/dbraw/zinc/85/59/75/451855975.db2.gz BVTRDHAJUQTANF-JKSUJKDBSA-N 2 2 338.427 1.058 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C(F)(F)F ZINC000639388134 451860642 /nfs/dbraw/zinc/86/06/42/451860642.db2.gz WFWCJEGDTJWJSX-SMDDNHRTSA-N 2 2 326.322 1.870 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C(F)(F)F ZINC000639388134 451860645 /nfs/dbraw/zinc/86/06/45/451860645.db2.gz WFWCJEGDTJWJSX-SMDDNHRTSA-N 2 2 326.322 1.870 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637447178 451863774 /nfs/dbraw/zinc/86/37/74/451863774.db2.gz WJRMXRKGWKDDDD-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637447178 451863778 /nfs/dbraw/zinc/86/37/78/451863778.db2.gz WJRMXRKGWKDDDD-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)CCO2 ZINC000649131359 451864841 /nfs/dbraw/zinc/86/48/41/451864841.db2.gz IQZLRHHLYFGYPS-UHFFFAOYSA-N 2 2 341.415 1.204 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000644569284 451867242 /nfs/dbraw/zinc/86/72/42/451867242.db2.gz GEWHSSVYHZECJU-GJZGRUSLSA-N 2 2 345.443 1.108 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651553167 451908880 /nfs/dbraw/zinc/90/88/80/451908880.db2.gz IWPRATOJTUTGCC-BRWVUGGUSA-N 2 2 346.475 1.472 20 0 EDADLP CCO[C@@H](C)c1noc(CN2CC[NH+](CCc3c[nH+]cn3C)CC2)n1 ZINC000639506831 451912845 /nfs/dbraw/zinc/91/28/45/451912845.db2.gz RQNTUWAKLMUFNF-AWEZNQCLSA-N 2 2 348.451 1.261 20 0 EDADLP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000644643304 451913950 /nfs/dbraw/zinc/91/39/50/451913950.db2.gz IPUHNECSQJNHSX-KRWDZBQOSA-N 2 2 343.427 1.952 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000644650870 451918001 /nfs/dbraw/zinc/91/80/01/451918001.db2.gz CXXIHJPJYMIMSG-UONOGXRCSA-N 2 2 331.416 1.695 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000644650870 451918009 /nfs/dbraw/zinc/91/80/09/451918009.db2.gz CXXIHJPJYMIMSG-UONOGXRCSA-N 2 2 331.416 1.695 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000641414397 451952701 /nfs/dbraw/zinc/95/27/01/451952701.db2.gz BRWYUVCRCJTHBD-YOEHRIQHSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000641414397 451952703 /nfs/dbraw/zinc/95/27/03/451952703.db2.gz BRWYUVCRCJTHBD-YOEHRIQHSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1CC[C@H]2CCN(S(=O)(=O)c3cccc4c3CC[N@H+](C)C4)[C@H]2C1 ZINC000641414397 451952710 /nfs/dbraw/zinc/95/27/10/451952710.db2.gz BRWYUVCRCJTHBD-YOEHRIQHSA-N 2 2 349.500 1.389 20 0 EDADLP C[NH+]1CC[C@H]2CCN(S(=O)(=O)c3cccc4c3CC[N@@H+](C)C4)[C@H]2C1 ZINC000641414397 451952713 /nfs/dbraw/zinc/95/27/13/451952713.db2.gz BRWYUVCRCJTHBD-YOEHRIQHSA-N 2 2 349.500 1.389 20 0 EDADLP CO[C@@H](Cc1ccccc1)C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000649296257 451972553 /nfs/dbraw/zinc/97/25/53/451972553.db2.gz SSBRYJGNJXOXPL-VQTJNVASSA-N 2 2 347.503 1.192 20 0 EDADLP CO[C@@H](Cc1ccccc1)C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000649296257 451972561 /nfs/dbraw/zinc/97/25/61/451972561.db2.gz SSBRYJGNJXOXPL-VQTJNVASSA-N 2 2 347.503 1.192 20 0 EDADLP CO[C@H](Cc1ccccc1)C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000649296258 451973943 /nfs/dbraw/zinc/97/39/43/451973943.db2.gz SSBRYJGNJXOXPL-WOJBJXKFSA-N 2 2 347.503 1.192 20 0 EDADLP CO[C@H](Cc1ccccc1)C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000649296258 451973951 /nfs/dbraw/zinc/97/39/51/451973951.db2.gz SSBRYJGNJXOXPL-WOJBJXKFSA-N 2 2 347.503 1.192 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[NH2+]CCC1(F)F ZINC000649320657 452000062 /nfs/dbraw/zinc/00/00/62/452000062.db2.gz UDPAAEWMYDRUGV-QMMMGPOBSA-N 2 2 326.269 1.306 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[C@H]1C ZINC000649324459 452003550 /nfs/dbraw/zinc/00/35/50/452003550.db2.gz KPTOZMXRZBERPV-TYNCELHUSA-N 2 2 325.840 1.253 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[C@H]1C ZINC000649324459 452003554 /nfs/dbraw/zinc/00/35/54/452003554.db2.gz KPTOZMXRZBERPV-TYNCELHUSA-N 2 2 325.840 1.253 20 0 EDADLP CN(Cc1cn[nH]c1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649335183 452016142 /nfs/dbraw/zinc/01/61/42/452016142.db2.gz JYDUUAPLYGOMHD-KRWDZBQOSA-N 2 2 338.415 1.183 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000643044209 452025065 /nfs/dbraw/zinc/02/50/65/452025065.db2.gz PBWVEWNAEAQZSR-JKSUJKDBSA-N 2 2 331.464 1.529 20 0 EDADLP c1nc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(N2CCOCC2)[nH+]1 ZINC000643044209 452025068 /nfs/dbraw/zinc/02/50/68/452025068.db2.gz PBWVEWNAEAQZSR-JKSUJKDBSA-N 2 2 331.464 1.529 20 0 EDADLP CC(=O)c1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)on1 ZINC000653594507 452031324 /nfs/dbraw/zinc/03/13/24/452031324.db2.gz WTXSSOIDOXSJOI-UHFFFAOYSA-N 2 2 334.464 1.868 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000653606639 452038564 /nfs/dbraw/zinc/03/85/64/452038564.db2.gz VYUHORIHTRDYPV-KXBFYZLASA-N 3 2 346.475 1.770 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000653606639 452038569 /nfs/dbraw/zinc/03/85/69/452038569.db2.gz VYUHORIHTRDYPV-KXBFYZLASA-N 3 2 346.475 1.770 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613166 452040971 /nfs/dbraw/zinc/04/09/71/452040971.db2.gz YFYXJCSEHIRIEY-DOTOQJQBSA-N 2 2 326.412 1.218 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613166 452040977 /nfs/dbraw/zinc/04/09/77/452040977.db2.gz YFYXJCSEHIRIEY-DOTOQJQBSA-N 2 2 326.412 1.218 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613166 452040980 /nfs/dbraw/zinc/04/09/80/452040980.db2.gz YFYXJCSEHIRIEY-DOTOQJQBSA-N 2 2 326.412 1.218 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613166 452040984 /nfs/dbraw/zinc/04/09/84/452040984.db2.gz YFYXJCSEHIRIEY-DOTOQJQBSA-N 2 2 326.412 1.218 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncnc4c3CCC4)CC2)CC1 ZINC000643197206 452064406 /nfs/dbraw/zinc/06/44/06/452064406.db2.gz FCNOLNRWZVXRPD-UHFFFAOYSA-N 2 2 329.492 1.962 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3ncnc4c3CCC4)CC2)CC1 ZINC000643197206 452064411 /nfs/dbraw/zinc/06/44/11/452064411.db2.gz FCNOLNRWZVXRPD-UHFFFAOYSA-N 2 2 329.492 1.962 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCC[NH3+] ZINC000649410214 452073528 /nfs/dbraw/zinc/07/35/28/452073528.db2.gz ZWAQLUBNGTWLTP-MRXNPFEDSA-N 3 2 332.492 1.436 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCC[NH3+] ZINC000649410214 452073535 /nfs/dbraw/zinc/07/35/35/452073535.db2.gz ZWAQLUBNGTWLTP-MRXNPFEDSA-N 3 2 332.492 1.436 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)CC[C@@H]1[NH3+] ZINC000649416782 452078588 /nfs/dbraw/zinc/07/85/88/452078588.db2.gz LSYPQPISEVQNRX-HIFRSBDPSA-N 2 2 347.488 1.991 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)CC[C@@H]1[NH3+] ZINC000649416782 452078595 /nfs/dbraw/zinc/07/85/95/452078595.db2.gz LSYPQPISEVQNRX-HIFRSBDPSA-N 2 2 347.488 1.991 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000643227017 452082446 /nfs/dbraw/zinc/08/24/46/452082446.db2.gz FZOAKJAREBSXHS-MRXNPFEDSA-N 2 2 331.464 1.786 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000643227017 452082452 /nfs/dbraw/zinc/08/24/52/452082452.db2.gz FZOAKJAREBSXHS-MRXNPFEDSA-N 2 2 331.464 1.786 20 0 EDADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639760505 452098563 /nfs/dbraw/zinc/09/85/63/452098563.db2.gz BEJUGNXNJGDYCQ-FQEVSTJZSA-N 2 2 347.503 1.961 20 0 EDADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639760505 452098567 /nfs/dbraw/zinc/09/85/67/452098567.db2.gz BEJUGNXNJGDYCQ-FQEVSTJZSA-N 2 2 347.503 1.961 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637833333 452106567 /nfs/dbraw/zinc/10/65/67/452106567.db2.gz RZEGMGHBCXCMEE-MSOLQXFVSA-N 2 2 326.444 1.262 20 0 EDADLP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1)C1CCCCC1 ZINC000639766368 452108133 /nfs/dbraw/zinc/10/81/33/452108133.db2.gz OQUREUODRJJBHW-LPHOPBHVSA-N 2 2 339.524 1.945 20 0 EDADLP CCN(C(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)C1CCCCC1 ZINC000639766368 452108138 /nfs/dbraw/zinc/10/81/38/452108138.db2.gz OQUREUODRJJBHW-LPHOPBHVSA-N 2 2 339.524 1.945 20 0 EDADLP C[C@@H]1CN(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000637864012 452120378 /nfs/dbraw/zinc/12/03/78/452120378.db2.gz KJXCJWHNPALYHM-DAYGRLMNSA-N 2 2 346.475 1.015 20 0 EDADLP C[C@@H]1CN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000637864012 452120384 /nfs/dbraw/zinc/12/03/84/452120384.db2.gz KJXCJWHNPALYHM-DAYGRLMNSA-N 2 2 346.475 1.015 20 0 EDADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCCCO1 ZINC000653874426 452157122 /nfs/dbraw/zinc/15/71/22/452157122.db2.gz GTJSPHVJXWGFPU-ROUUACIJSA-N 2 2 349.475 1.861 20 0 EDADLP Cc1cc(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc(C)[nH+]1 ZINC000643384085 452166577 /nfs/dbraw/zinc/16/65/77/452166577.db2.gz VOXRVPOIGZEYMY-QGZVFWFLSA-N 2 2 332.448 1.705 20 0 EDADLP Fc1ccccc1Cc1nnc2n1CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000649713998 452210232 /nfs/dbraw/zinc/21/02/32/452210232.db2.gz NUKJTHQXEQHIMY-UHFFFAOYSA-N 2 2 326.379 1.720 20 0 EDADLP Fc1ccccc1Cc1nnc2n1CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000649713998 452210238 /nfs/dbraw/zinc/21/02/38/452210238.db2.gz NUKJTHQXEQHIMY-UHFFFAOYSA-N 2 2 326.379 1.720 20 0 EDADLP COCc1cc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)no1 ZINC000641715027 452214302 /nfs/dbraw/zinc/21/43/02/452214302.db2.gz WTIWVVSSRAPZJL-UHFFFAOYSA-N 2 2 346.431 1.402 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)CO1 ZINC000649735482 452219072 /nfs/dbraw/zinc/21/90/72/452219072.db2.gz LREATVDOCMRKDI-CGTJXYLNSA-N 2 2 333.476 1.905 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)CO1 ZINC000649735482 452219076 /nfs/dbraw/zinc/21/90/76/452219076.db2.gz LREATVDOCMRKDI-CGTJXYLNSA-N 2 2 333.476 1.905 20 0 EDADLP C[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056389 452225264 /nfs/dbraw/zinc/22/52/64/452225264.db2.gz YVFACWKCMDYISZ-APIJFGDWSA-N 2 2 329.510 1.038 20 0 EDADLP C[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCSC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056389 452225265 /nfs/dbraw/zinc/22/52/65/452225265.db2.gz YVFACWKCMDYISZ-APIJFGDWSA-N 2 2 329.510 1.038 20 0 EDADLP C[C@H](CNC(=O)C[NH+](C)[C@@H]1CCSC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056389 452225274 /nfs/dbraw/zinc/22/52/74/452225274.db2.gz YVFACWKCMDYISZ-APIJFGDWSA-N 2 2 329.510 1.038 20 0 EDADLP C[C@H](CNC(=O)C[NH+](C)[C@@H]1CCSC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056389 452225280 /nfs/dbraw/zinc/22/52/80/452225280.db2.gz YVFACWKCMDYISZ-APIJFGDWSA-N 2 2 329.510 1.038 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000639907925 452230719 /nfs/dbraw/zinc/23/07/19/452230719.db2.gz XLOZEZQDXHOVQS-BBWFWOEESA-N 2 2 342.867 1.699 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000639907925 452230730 /nfs/dbraw/zinc/23/07/30/452230730.db2.gz XLOZEZQDXHOVQS-BBWFWOEESA-N 2 2 342.867 1.699 20 0 EDADLP CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000645265973 452244645 /nfs/dbraw/zinc/24/46/45/452244645.db2.gz PQUHBTIGDPWRNC-OWCLPIDISA-N 2 2 326.485 1.221 20 0 EDADLP COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641785029 452254256 /nfs/dbraw/zinc/25/42/56/452254256.db2.gz GZTSFJISDZECCU-GBESFXJTSA-N 2 2 339.524 1.578 20 0 EDADLP CC(=O)Nc1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000663550479 452256631 /nfs/dbraw/zinc/25/66/31/452256631.db2.gz QIIZFQDKXMNVKX-UHFFFAOYSA-N 2 2 349.479 1.328 20 0 EDADLP CC(=O)Nc1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000663550479 452256639 /nfs/dbraw/zinc/25/66/39/452256639.db2.gz QIIZFQDKXMNVKX-UHFFFAOYSA-N 2 2 349.479 1.328 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663551325 452257596 /nfs/dbraw/zinc/25/75/96/452257596.db2.gz HQKNTYHZPHKENQ-JKSUJKDBSA-N 2 2 340.512 1.515 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663551325 452257602 /nfs/dbraw/zinc/25/76/02/452257602.db2.gz HQKNTYHZPHKENQ-JKSUJKDBSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CO)C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000649799920 452264087 /nfs/dbraw/zinc/26/40/87/452264087.db2.gz GMOUGIDLXSNEMT-MRXNPFEDSA-N 2 2 349.475 1.264 20 0 EDADLP COc1ccc(-c2noc(C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)n2)c(OC)c1 ZINC000641802433 452276433 /nfs/dbraw/zinc/27/64/33/452276433.db2.gz KWGNZMLJEBJVBN-KGLIPLIRSA-N 2 2 332.404 1.969 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](C4CCC4)C3)C2)CC1 ZINC000665717683 452281772 /nfs/dbraw/zinc/28/17/72/452281772.db2.gz SSJLIODEIRCPML-IAGOWNOFSA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](C4CCC4)C3)C2)CC1 ZINC000665717683 452281778 /nfs/dbraw/zinc/28/17/78/452281778.db2.gz SSJLIODEIRCPML-IAGOWNOFSA-N 2 2 334.508 1.987 20 0 EDADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1OCC(=O)N(C)C ZINC000643537976 452299614 /nfs/dbraw/zinc/29/96/14/452299614.db2.gz VWURWKHKCOUXAP-DZKIICNBSA-N 2 2 337.439 1.894 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538531 452300753 /nfs/dbraw/zinc/30/07/53/452300753.db2.gz MRLYWOVLXKCQAL-USWWRNFRSA-N 2 2 332.217 1.289 20 0 EDADLP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000641825123 452308143 /nfs/dbraw/zinc/30/81/43/452308143.db2.gz WVRYNPBNUAHZQK-UHFFFAOYSA-N 2 2 333.436 1.327 20 0 EDADLP C[C@]1(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[NH2+]CCO1 ZINC000638050521 452320590 /nfs/dbraw/zinc/32/05/90/452320590.db2.gz PBCRLMUZHRAYJE-QGZVFWFLSA-N 2 2 337.851 1.363 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(C)C[NH2+]CCO3)n2)C1 ZINC000638050517 452320962 /nfs/dbraw/zinc/32/09/62/452320962.db2.gz OXQUOOXADFMRJY-WBMJQRKESA-N 2 2 338.477 1.692 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(C)C[NH2+]CCO3)n2)C1 ZINC000638050517 452320968 /nfs/dbraw/zinc/32/09/68/452320968.db2.gz OXQUOOXADFMRJY-WBMJQRKESA-N 2 2 338.477 1.692 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000638051355 452323772 /nfs/dbraw/zinc/32/37/72/452323772.db2.gz GJFQEDORXLUDRH-HKUYNNGSSA-N 2 2 331.460 1.406 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)NC/C=C\C[NH3+])CC2)cc(OC)c1 ZINC000641870625 452335747 /nfs/dbraw/zinc/33/57/47/452335747.db2.gz XAVZUWFZMCYKQP-ARJAWSKDSA-N 2 2 348.447 1.046 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@]1(C)CCCO1 ZINC000645400259 452373623 /nfs/dbraw/zinc/37/36/23/452373623.db2.gz NUTXNHRSKROUHV-APWZRJJASA-N 2 2 346.475 1.668 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000663678767 452414740 /nfs/dbraw/zinc/41/47/40/452414740.db2.gz SVZZCYCVINVXSN-HOTGVXAUSA-N 2 2 348.491 1.657 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000663678765 452414914 /nfs/dbraw/zinc/41/49/14/452414914.db2.gz SVZZCYCVINVXSN-CVEARBPZSA-N 2 2 348.491 1.657 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCCC3CC[NH2+]CC3)cn21 ZINC000652224538 452416506 /nfs/dbraw/zinc/41/65/06/452416506.db2.gz BDMJUCLUWJMMSM-UHFFFAOYSA-N 2 2 329.448 1.874 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCNc2cccc[nH+]2)[C@H](C)CO1 ZINC000663682238 452418550 /nfs/dbraw/zinc/41/85/50/452418550.db2.gz SWMXZQAEDIEYOI-HUUCEWRRSA-N 2 2 335.452 1.292 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCNc2cccc[nH+]2)[C@H](C)CO1 ZINC000663682238 452418556 /nfs/dbraw/zinc/41/85/56/452418556.db2.gz SWMXZQAEDIEYOI-HUUCEWRRSA-N 2 2 335.452 1.292 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2[nH+]1 ZINC000657675763 452437696 /nfs/dbraw/zinc/43/76/96/452437696.db2.gz FLJGOYCQZZEWEI-QWHCGFSZSA-N 2 2 329.404 1.180 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2[nH+]1 ZINC000657675763 452437704 /nfs/dbraw/zinc/43/77/04/452437704.db2.gz FLJGOYCQZZEWEI-QWHCGFSZSA-N 2 2 329.404 1.180 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@@H]1C ZINC000663758736 452487348 /nfs/dbraw/zinc/48/73/48/452487348.db2.gz ABFVPVYNWKKNKU-LSDHHAIUSA-N 2 2 333.480 1.747 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@@H]1C ZINC000663758736 452487353 /nfs/dbraw/zinc/48/73/53/452487353.db2.gz ABFVPVYNWKKNKU-LSDHHAIUSA-N 2 2 333.480 1.747 20 0 EDADLP C[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1[nH+]ccn1C ZINC000663764717 452494012 /nfs/dbraw/zinc/49/40/12/452494012.db2.gz OPHXNUVGQNCOLP-GOEBONIOSA-N 2 2 329.448 1.953 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1nnc2n1CCCCC2 ZINC000655687072 452511522 /nfs/dbraw/zinc/51/15/22/452511522.db2.gz UGCXEZKFXFMDDD-GDBMZVCRSA-N 2 2 333.480 1.908 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000663790440 452520993 /nfs/dbraw/zinc/52/09/93/452520993.db2.gz BMCWETOUWGAYLK-SJORKVTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000663790440 452521003 /nfs/dbraw/zinc/52/10/03/452521003.db2.gz BMCWETOUWGAYLK-SJORKVTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663790440 452521009 /nfs/dbraw/zinc/52/10/09/452521009.db2.gz BMCWETOUWGAYLK-SJORKVTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663790440 452521020 /nfs/dbraw/zinc/52/10/20/452521020.db2.gz BMCWETOUWGAYLK-SJORKVTESA-N 3 2 341.544 1.290 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cccc(OC)c3C2)CC1 ZINC000650105807 452521581 /nfs/dbraw/zinc/52/15/81/452521581.db2.gz LGAWTSJUYRDMEW-UHFFFAOYSA-N 2 2 331.460 1.654 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3cccc(OC)c3C2)CC1 ZINC000650105807 452521589 /nfs/dbraw/zinc/52/15/89/452521589.db2.gz LGAWTSJUYRDMEW-UHFFFAOYSA-N 2 2 331.460 1.654 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3OC)C2=O)C[C@H]1C[NH3+] ZINC000652357035 452534464 /nfs/dbraw/zinc/53/44/64/452534464.db2.gz YBMWUUWGXBXRBD-FRFSOERESA-N 2 2 333.432 1.096 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H]2CCN(c3ccccc3OC)C2=O)C[C@H]1C[NH3+] ZINC000652357035 452534470 /nfs/dbraw/zinc/53/44/70/452534470.db2.gz YBMWUUWGXBXRBD-FRFSOERESA-N 2 2 333.432 1.096 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655724578 452537567 /nfs/dbraw/zinc/53/75/67/452537567.db2.gz FAZWRTBLEJBJLW-QGZVFWFLSA-N 2 2 333.480 1.252 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655724578 452537573 /nfs/dbraw/zinc/53/75/73/452537573.db2.gz FAZWRTBLEJBJLW-QGZVFWFLSA-N 2 2 333.480 1.252 20 0 EDADLP O=C1[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCN1C1CCCCC1 ZINC000655734048 452545290 /nfs/dbraw/zinc/54/52/90/452545290.db2.gz YALJXGIGQKOSAR-MSOLQXFVSA-N 2 2 335.492 1.763 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815112 452546000 /nfs/dbraw/zinc/54/60/00/452546000.db2.gz PKOJUEGEFYDDJL-UHFFFAOYSA-N 2 2 331.460 1.666 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647815112 452546006 /nfs/dbraw/zinc/54/60/06/452546006.db2.gz PKOJUEGEFYDDJL-UHFFFAOYSA-N 2 2 331.460 1.666 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NCCOc1cccc(F)c1 ZINC000647815187 452547205 /nfs/dbraw/zinc/54/72/05/452547205.db2.gz SVOGIPFUPZQLIN-UHFFFAOYSA-N 2 2 335.423 1.537 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NCCOc1cccc(F)c1 ZINC000647815187 452547213 /nfs/dbraw/zinc/54/72/13/452547213.db2.gz SVOGIPFUPZQLIN-UHFFFAOYSA-N 2 2 335.423 1.537 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655741357 452550482 /nfs/dbraw/zinc/55/04/82/452550482.db2.gz FUUJVXVNFLXWKZ-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655741357 452550489 /nfs/dbraw/zinc/55/04/89/452550489.db2.gz FUUJVXVNFLXWKZ-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655741357 452550493 /nfs/dbraw/zinc/55/04/93/452550493.db2.gz FUUJVXVNFLXWKZ-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655741357 452550498 /nfs/dbraw/zinc/55/04/98/452550498.db2.gz FUUJVXVNFLXWKZ-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP c1cc2n(n1)CCC[C@H]2[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000657832492 452556601 /nfs/dbraw/zinc/55/66/01/452556601.db2.gz KWAVOUNJSFPAHT-MRXNPFEDSA-N 2 2 341.463 1.310 20 0 EDADLP COc1cc(-c2noc(C[N@@H+]3CC[C@H](C[NH3+])C3)n2)cc(OC)c1OC ZINC000647830652 452564503 /nfs/dbraw/zinc/56/45/03/452564503.db2.gz ZOSWEVLMWGIWRE-LLVKDONJSA-N 2 2 348.403 1.543 20 0 EDADLP COc1cc(-c2noc(C[N@H+]3CC[C@H](C[NH3+])C3)n2)cc(OC)c1OC ZINC000647830652 452564513 /nfs/dbraw/zinc/56/45/13/452564513.db2.gz ZOSWEVLMWGIWRE-LLVKDONJSA-N 2 2 348.403 1.543 20 0 EDADLP Cc1nc(N2CCN(c3[nH]cc[nH+]3)CC2)c(Br)c(C)[nH+]1 ZINC000663845018 452569795 /nfs/dbraw/zinc/56/97/95/452569795.db2.gz RZHNIWBWDXCZEZ-UHFFFAOYSA-N 2 2 337.225 1.906 20 0 EDADLP COc1ccc([C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000663858486 452584046 /nfs/dbraw/zinc/58/40/46/452584046.db2.gz MKFFEHKVSQATRB-HNNXBMFYSA-N 2 2 336.480 1.939 20 0 EDADLP COc1ccc([C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000663858486 452584053 /nfs/dbraw/zinc/58/40/53/452584053.db2.gz MKFFEHKVSQATRB-HNNXBMFYSA-N 2 2 336.480 1.939 20 0 EDADLP CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647886830 452624567 /nfs/dbraw/zinc/62/45/67/452624567.db2.gz ZVGOTVMMLZKGPN-AEFFLSMTSA-N 2 2 345.487 1.770 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647900401 452640848 /nfs/dbraw/zinc/64/08/48/452640848.db2.gz APMMXZPLCSUFFL-IEBWSBKVSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647900401 452640855 /nfs/dbraw/zinc/64/08/55/452640855.db2.gz APMMXZPLCSUFFL-IEBWSBKVSA-N 2 2 345.487 1.954 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000652451561 452644534 /nfs/dbraw/zinc/64/45/34/452644534.db2.gz FEBFHGVKQTXAEN-HRCADAONSA-N 2 2 349.479 1.907 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647926979 452663350 /nfs/dbraw/zinc/66/33/50/452663350.db2.gz VDZXTKGIDFTQNL-UHFFFAOYSA-N 2 2 339.867 1.990 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC[C@@H]1[NH3+] ZINC000647936406 452677300 /nfs/dbraw/zinc/67/73/00/452677300.db2.gz DBNKRGIJCJNXQU-JEBQAFNWSA-N 2 2 347.459 1.868 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC[C@@H]1[NH3+] ZINC000647936406 452677304 /nfs/dbraw/zinc/67/73/04/452677304.db2.gz DBNKRGIJCJNXQU-JEBQAFNWSA-N 2 2 347.459 1.868 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647940435 452681143 /nfs/dbraw/zinc/68/11/43/452681143.db2.gz YVGUXCSGCMIWHZ-GJZGRUSLSA-N 2 2 335.448 1.379 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647940435 452681151 /nfs/dbraw/zinc/68/11/51/452681151.db2.gz YVGUXCSGCMIWHZ-GJZGRUSLSA-N 2 2 335.448 1.379 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C(F)(F)F ZINC000655922351 452686915 /nfs/dbraw/zinc/68/69/15/452686915.db2.gz PYFWKUPEPBYIQU-ZDUSSCGKSA-N 2 2 347.385 1.975 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)cc2[nH+]1 ZINC000658028435 452693566 /nfs/dbraw/zinc/69/35/66/452693566.db2.gz UUKSXHWLQZRTIN-DZGCQCFKSA-N 2 2 341.415 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)cc2[nH+]1 ZINC000658028435 452693577 /nfs/dbraw/zinc/69/35/77/452693577.db2.gz UUKSXHWLQZRTIN-DZGCQCFKSA-N 2 2 341.415 1.134 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000661967892 452722953 /nfs/dbraw/zinc/72/29/53/452722953.db2.gz GPDFRJUPERHYHZ-QZTJIDSGSA-N 2 2 343.471 1.681 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000661967892 452722961 /nfs/dbraw/zinc/72/29/61/452722961.db2.gz GPDFRJUPERHYHZ-QZTJIDSGSA-N 2 2 343.471 1.681 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCn1cnc2ccccc21 ZINC000664094286 452786146 /nfs/dbraw/zinc/78/61/46/452786146.db2.gz YYHCVTZXGVFMNI-UHFFFAOYSA-N 2 2 346.479 1.219 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCn1cnc2ccccc21 ZINC000664094286 452786151 /nfs/dbraw/zinc/78/61/51/452786151.db2.gz YYHCVTZXGVFMNI-UHFFFAOYSA-N 2 2 346.479 1.219 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662039297 452794726 /nfs/dbraw/zinc/79/47/26/452794726.db2.gz OUKUGYMTCDQVPI-OALUTQOASA-N 2 2 343.471 1.299 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662039297 452794738 /nfs/dbraw/zinc/79/47/38/452794738.db2.gz OUKUGYMTCDQVPI-OALUTQOASA-N 2 2 343.471 1.299 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccnn1-c1ccccn1)CCO2 ZINC000648071998 452799044 /nfs/dbraw/zinc/79/90/44/452799044.db2.gz GBVBGOQVQZYPHP-UHFFFAOYSA-N 2 2 327.432 1.564 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccnn1-c1ccccn1)CCO2 ZINC000648071998 452799053 /nfs/dbraw/zinc/79/90/53/452799053.db2.gz GBVBGOQVQZYPHP-UHFFFAOYSA-N 2 2 327.432 1.564 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1[nH+]ccn1C ZINC000662099099 452840827 /nfs/dbraw/zinc/84/08/27/452840827.db2.gz JOPLNOBTFDZKBZ-CWRNSKLLSA-N 2 2 349.479 1.548 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000648132230 452845748 /nfs/dbraw/zinc/84/57/48/452845748.db2.gz URGKSXWLYMMQDW-UONOGXRCSA-N 2 2 330.436 1.303 20 0 EDADLP CC(C)([NH3+])CC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000645861484 452856882 /nfs/dbraw/zinc/85/68/82/452856882.db2.gz LEOMQVCTFSLOOR-UHFFFAOYSA-N 2 2 349.866 1.759 20 0 EDADLP Cc1c(-c2cc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)on2)cnn1C ZINC000662151029 452885968 /nfs/dbraw/zinc/88/59/68/452885968.db2.gz DLSTYOHJMDWARV-OAHLLOKOSA-N 2 2 345.447 1.415 20 0 EDADLP Cc1c(-c2cc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)on2)cnn1C ZINC000662151029 452885972 /nfs/dbraw/zinc/88/59/72/452885972.db2.gz DLSTYOHJMDWARV-OAHLLOKOSA-N 2 2 345.447 1.415 20 0 EDADLP O[C@H]1CC[N@@H+](C2CCN(Cc3c[nH+]cn3Cc3ccccc3)CC2)C1 ZINC000662152030 452889857 /nfs/dbraw/zinc/88/98/57/452889857.db2.gz MOHAHVHTBLMVGR-FQEVSTJZSA-N 2 2 340.471 1.962 20 0 EDADLP O[C@H]1CC[N@H+](C2CCN(Cc3c[nH+]cn3Cc3ccccc3)CC2)C1 ZINC000662152030 452889865 /nfs/dbraw/zinc/88/98/65/452889865.db2.gz MOHAHVHTBLMVGR-FQEVSTJZSA-N 2 2 340.471 1.962 20 0 EDADLP C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000666482958 452900108 /nfs/dbraw/zinc/90/01/08/452900108.db2.gz SPZZLQLKVPKXBP-APWZRJJASA-N 2 2 334.460 1.743 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c2[nH+]ccn21 ZINC000656199405 452956398 /nfs/dbraw/zinc/95/63/98/452956398.db2.gz AJSNQFCUTBJDTJ-KFWWJZLASA-N 2 2 333.436 1.395 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000645977976 452966691 /nfs/dbraw/zinc/96/66/91/452966691.db2.gz PIYVNBLSEHZKNA-AEFFLSMTSA-N 3 2 336.524 1.569 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000645977976 452966695 /nfs/dbraw/zinc/96/66/95/452966695.db2.gz PIYVNBLSEHZKNA-AEFFLSMTSA-N 3 2 336.524 1.569 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c[nH+]1 ZINC000656254006 452991644 /nfs/dbraw/zinc/99/16/44/452991644.db2.gz ZCBPSKIRKNYOJP-IAGOWNOFSA-N 2 2 332.448 1.439 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCc2nsc3ccccc32)C1 ZINC000662264144 452993915 /nfs/dbraw/zinc/99/39/15/452993915.db2.gz BEEONGBOAPBHKL-CQSZACIVSA-N 2 2 344.484 1.735 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000662264144 452993921 /nfs/dbraw/zinc/99/39/21/452993921.db2.gz BEEONGBOAPBHKL-CQSZACIVSA-N 2 2 344.484 1.735 20 0 EDADLP COc1cc(NC2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)cc(OC)c1 ZINC000662265181 452995847 /nfs/dbraw/zinc/99/58/47/452995847.db2.gz VEUQDYGDQVZLTB-SFHVURJKSA-N 2 2 335.448 1.569 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC1=CCSC1 ZINC000662265470 452997369 /nfs/dbraw/zinc/99/73/69/452997369.db2.gz BTEIUQCPHCJKSB-HNNXBMFYSA-N 2 2 346.500 1.724 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC1=CCSC1 ZINC000662265470 452997376 /nfs/dbraw/zinc/99/73/76/452997376.db2.gz BTEIUQCPHCJKSB-HNNXBMFYSA-N 2 2 346.500 1.724 20 0 EDADLP Cc1ccc(F)c(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000648316161 452998834 /nfs/dbraw/zinc/99/88/34/452998834.db2.gz JCYHLENJNSQMRI-INIZCTEOSA-N 2 2 333.451 1.961 20 0 EDADLP Cc1ccc(F)c(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000648316161 452998844 /nfs/dbraw/zinc/99/88/44/452998844.db2.gz JCYHLENJNSQMRI-INIZCTEOSA-N 2 2 333.451 1.961 20 0 EDADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc(Br)cc1 ZINC000662285592 453010002 /nfs/dbraw/zinc/01/00/02/453010002.db2.gz FKAZGSQSGBKDOY-UHFFFAOYSA-N 2 2 342.237 1.092 20 0 EDADLP Cc1ccccc1CCNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318603 453035650 /nfs/dbraw/zinc/03/56/50/453035650.db2.gz CIQPJXAOCJQIBA-LJQANCHMSA-N 2 2 347.503 1.696 20 0 EDADLP Cc1ccccc1CCNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318603 453035659 /nfs/dbraw/zinc/03/56/59/453035659.db2.gz CIQPJXAOCJQIBA-LJQANCHMSA-N 2 2 347.503 1.696 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc4cccnc4o3)CC2)C1 ZINC000648369648 453040306 /nfs/dbraw/zinc/04/03/06/453040306.db2.gz USXWXOFOXJYKHG-GOSISDBHSA-N 2 2 344.459 1.666 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc4cccnc4o3)CC2)C1 ZINC000648369648 453040316 /nfs/dbraw/zinc/04/03/16/453040316.db2.gz USXWXOFOXJYKHG-GOSISDBHSA-N 2 2 344.459 1.666 20 0 EDADLP c1c(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662326884 453045607 /nfs/dbraw/zinc/04/56/07/453045607.db2.gz GFANPMGAOQUIBM-MRXNPFEDSA-N 3 2 333.480 1.045 20 0 EDADLP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662326884 453045612 /nfs/dbraw/zinc/04/56/12/453045612.db2.gz GFANPMGAOQUIBM-MRXNPFEDSA-N 3 2 333.480 1.045 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000660129611 453054419 /nfs/dbraw/zinc/05/44/19/453054419.db2.gz SDFIYUNJKAOPAB-CQSZACIVSA-N 2 2 334.445 1.318 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000660129611 453054425 /nfs/dbraw/zinc/05/44/25/453054425.db2.gz SDFIYUNJKAOPAB-CQSZACIVSA-N 2 2 334.445 1.318 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)CC[NH+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000660139277 453070636 /nfs/dbraw/zinc/07/06/36/453070636.db2.gz QUYCMEFVYJBXPL-CALCHBBNSA-N 3 2 326.529 1.053 20 0 EDADLP C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000646063593 453075499 /nfs/dbraw/zinc/07/54/99/453075499.db2.gz OGUHIKAKCCGVAD-BEFAXECRSA-N 2 2 349.450 1.752 20 0 EDADLP C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000646063593 453075504 /nfs/dbraw/zinc/07/55/04/453075504.db2.gz OGUHIKAKCCGVAD-BEFAXECRSA-N 2 2 349.450 1.752 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000658524799 453078038 /nfs/dbraw/zinc/07/80/38/453078038.db2.gz UAKYJQRSZKVCCK-ZIAGYGMSSA-N 2 2 347.463 1.452 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000658524799 453078052 /nfs/dbraw/zinc/07/80/52/453078052.db2.gz UAKYJQRSZKVCCK-ZIAGYGMSSA-N 2 2 347.463 1.452 20 0 EDADLP C[C@@H](NC(=O)c1ccc(C[NH3+])o1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646065561 453078003 /nfs/dbraw/zinc/07/80/03/453078003.db2.gz SUAZMAMMQRFBDW-RDTXWAMCSA-N 2 2 343.427 1.758 20 0 EDADLP C[C@@H](NC(=O)c1ccc(C[NH3+])o1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646065561 453078013 /nfs/dbraw/zinc/07/80/13/453078013.db2.gz SUAZMAMMQRFBDW-RDTXWAMCSA-N 2 2 343.427 1.758 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000646103428 453103878 /nfs/dbraw/zinc/10/38/78/453103878.db2.gz FVLASLDVTCVIPK-UHFFFAOYSA-N 2 2 335.423 1.869 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000646103428 453103881 /nfs/dbraw/zinc/10/38/81/453103881.db2.gz FVLASLDVTCVIPK-UHFFFAOYSA-N 2 2 335.423 1.869 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103691 453106678 /nfs/dbraw/zinc/10/66/78/453106678.db2.gz LFTMIQDINQCVIW-OAHLLOKOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103691 453106687 /nfs/dbraw/zinc/10/66/87/453106687.db2.gz LFTMIQDINQCVIW-OAHLLOKOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000666753532 453117523 /nfs/dbraw/zinc/11/75/23/453117523.db2.gz YURIFGXRJVYENS-ULQDDVLXSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000666753532 453117529 /nfs/dbraw/zinc/11/75/29/453117529.db2.gz YURIFGXRJVYENS-ULQDDVLXSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666753420 453117944 /nfs/dbraw/zinc/11/79/44/453117944.db2.gz VZVMOLJWFZODSY-KRWDZBQOSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666753420 453117951 /nfs/dbraw/zinc/11/79/51/453117951.db2.gz VZVMOLJWFZODSY-KRWDZBQOSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000664504372 453146470 /nfs/dbraw/zinc/14/64/70/453146470.db2.gz HBLFFJPHRYAJMN-XNIRIUNOSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000664504372 453146475 /nfs/dbraw/zinc/14/64/75/453146475.db2.gz HBLFFJPHRYAJMN-XNIRIUNOSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662445076 453151814 /nfs/dbraw/zinc/15/18/14/453151814.db2.gz MMGTYQRKYOXKJS-PBHICJAKSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662445076 453151823 /nfs/dbraw/zinc/15/18/23/453151823.db2.gz MMGTYQRKYOXKJS-PBHICJAKSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662449676 453158066 /nfs/dbraw/zinc/15/80/66/453158066.db2.gz PPAQWIHLNVYRSH-CRAIPNDOSA-N 2 2 344.503 1.431 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656473670 453206575 /nfs/dbraw/zinc/20/65/75/453206575.db2.gz HNDDXWCUGAIDOK-IAGOWNOFSA-N 2 2 327.432 1.718 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000653061935 453238400 /nfs/dbraw/zinc/23/84/00/453238400.db2.gz GLTLPOHBKPIVKQ-CQSZACIVSA-N 2 2 345.447 1.184 20 0 EDADLP COc1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1Br ZINC000653069891 453248044 /nfs/dbraw/zinc/24/80/44/453248044.db2.gz BLSOYMVQNTXIPE-LLVKDONJSA-N 2 2 330.226 1.675 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000653077227 453256437 /nfs/dbraw/zinc/25/64/37/453256437.db2.gz UHRQSGUQLXUITO-PBHICJAKSA-N 2 2 333.432 1.304 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(Br)c(F)c1 ZINC000653080733 453260267 /nfs/dbraw/zinc/26/02/67/453260267.db2.gz REESZBIEFGWGQB-LBPRGKRZSA-N 2 2 332.217 1.483 20 0 EDADLP CCOCCCn1c2ccccc2nc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653085072 453266046 /nfs/dbraw/zinc/26/60/46/453266046.db2.gz AVRPYXRWYCVLKQ-CQSZACIVSA-N 2 2 347.463 1.680 20 0 EDADLP COc1ccccc1CC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653084806 453266081 /nfs/dbraw/zinc/26/60/81/453266081.db2.gz SPHPRBVGZBFOJC-KRWDZBQOSA-N 2 2 333.476 1.755 20 0 EDADLP C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089688 453273439 /nfs/dbraw/zinc/27/34/39/453273439.db2.gz QOOBFGCLXGFQQY-DAXOMENPSA-N 2 2 339.867 1.907 20 0 EDADLP Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653099127 453281292 /nfs/dbraw/zinc/28/12/92/453281292.db2.gz GEEZYKXXKBSVFO-MRXNPFEDSA-N 2 2 329.448 1.384 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000653108290 453290729 /nfs/dbraw/zinc/29/07/29/453290729.db2.gz QTQCUCZZBMMHMJ-KGLIPLIRSA-N 2 2 330.432 1.813 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000653113765 453301740 /nfs/dbraw/zinc/30/17/40/453301740.db2.gz NIPCHVGJGUJHDS-CZUORRHYSA-N 2 2 338.883 1.562 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 ZINC000653114312 453302054 /nfs/dbraw/zinc/30/20/54/453302054.db2.gz DPOUYPKBXKAOQI-INIZCTEOSA-N 2 2 346.406 1.908 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000653116553 453305439 /nfs/dbraw/zinc/30/54/39/453305439.db2.gz LPPMCQLDABSUSN-LJQANCHMSA-N 3 2 346.519 1.636 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000653116553 453305441 /nfs/dbraw/zinc/30/54/41/453305441.db2.gz LPPMCQLDABSUSN-LJQANCHMSA-N 3 2 346.519 1.636 20 0 EDADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c2)C[C@@H](C)O1 ZINC000653121247 453310775 /nfs/dbraw/zinc/31/07/75/453310775.db2.gz PQQMEJWOAFHETM-IIDMSEBBSA-N 3 2 348.491 1.513 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653123343 453315586 /nfs/dbraw/zinc/31/55/86/453315586.db2.gz VTSKUDLANFPSSI-DYVFJYSZSA-N 3 2 329.448 1.637 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660469372 453329567 /nfs/dbraw/zinc/32/95/67/453329567.db2.gz QBYVCBQBAZYFKQ-MOPGFXCFSA-N 2 2 348.487 1.921 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660469372 453329570 /nfs/dbraw/zinc/32/95/70/453329570.db2.gz QBYVCBQBAZYFKQ-MOPGFXCFSA-N 2 2 348.487 1.921 20 0 EDADLP CC(C)C[C@H]1OCCC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664708882 453336363 /nfs/dbraw/zinc/33/63/63/453336363.db2.gz OMLBFBPCYRTXSZ-IAGOWNOFSA-N 2 2 342.528 1.763 20 0 EDADLP CC(C)C[C@H]1OCCC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664708882 453336372 /nfs/dbraw/zinc/33/63/72/453336372.db2.gz OMLBFBPCYRTXSZ-IAGOWNOFSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150673 453338463 /nfs/dbraw/zinc/33/84/63/453338463.db2.gz JZHLBPQFEAJLOL-HUUCEWRRSA-N 3 2 326.872 1.338 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccn1 ZINC000653153072 453340875 /nfs/dbraw/zinc/34/08/75/453340875.db2.gz GWPIJEZYDXJFQX-YJBOKZPZSA-N 2 2 342.443 1.575 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(c2ccc(F)cc2Cl)CC1 ZINC000653154130 453342162 /nfs/dbraw/zinc/34/21/62/453342162.db2.gz JLPCACRAMSWVJK-CQSZACIVSA-N 2 2 327.831 1.906 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000653154081 453342891 /nfs/dbraw/zinc/34/28/91/453342891.db2.gz IHVXRYWUZQJLND-INIZCTEOSA-N 2 2 344.459 1.593 20 0 EDADLP C[NH+](C)CC[C@H](N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000653155738 453347341 /nfs/dbraw/zinc/34/73/41/453347341.db2.gz DSYDEHQGZUEGCM-INIZCTEOSA-N 2 2 339.443 1.819 20 0 EDADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000656694325 453368787 /nfs/dbraw/zinc/36/87/87/453368787.db2.gz OFGJOJBUMNDBJJ-UXHICEINSA-N 2 2 349.519 1.659 20 0 EDADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000656694325 453368790 /nfs/dbraw/zinc/36/87/90/453368790.db2.gz OFGJOJBUMNDBJJ-UXHICEINSA-N 2 2 349.519 1.659 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])n2)C1 ZINC000662662405 453375133 /nfs/dbraw/zinc/37/51/33/453375133.db2.gz FPIGNYKJBRVWBD-BNOWGMLFSA-N 2 2 338.477 1.677 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])n2)C1 ZINC000662662405 453375138 /nfs/dbraw/zinc/37/51/38/453375138.db2.gz FPIGNYKJBRVWBD-BNOWGMLFSA-N 2 2 338.477 1.677 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000648901066 453379686 /nfs/dbraw/zinc/37/96/86/453379686.db2.gz OLSKQSYMYOKQMB-OAGGEKHMSA-N 2 2 334.464 1.718 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660588718 453431116 /nfs/dbraw/zinc/43/11/16/453431116.db2.gz BOWIPTDMDDGVIV-AWEZNQCLSA-N 2 2 336.484 1.156 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660588718 453431119 /nfs/dbraw/zinc/43/11/19/453431119.db2.gz BOWIPTDMDDGVIV-AWEZNQCLSA-N 2 2 336.484 1.156 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)O1 ZINC000667180379 453455615 /nfs/dbraw/zinc/45/56/15/453455615.db2.gz NSKUQKYUTSQBOA-WCVJEAGWSA-N 2 2 346.475 1.615 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000662743350 453471305 /nfs/dbraw/zinc/47/13/05/453471305.db2.gz YIFJNDDCPCHKKD-ZWKOTPCHSA-N 2 2 330.476 1.046 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000662743350 453471312 /nfs/dbraw/zinc/47/13/12/453471312.db2.gz YIFJNDDCPCHKKD-ZWKOTPCHSA-N 2 2 330.476 1.046 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cccc(N)c2Cl)CC1 ZINC000662748134 453478730 /nfs/dbraw/zinc/47/87/30/453478730.db2.gz MFGFTSACBXXIJK-UHFFFAOYSA-N 2 2 338.883 1.607 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000660656227 453491976 /nfs/dbraw/zinc/49/19/76/453491976.db2.gz KBVONIICROUCHL-FXAWDEMLSA-N 2 2 343.471 1.524 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000660656227 453491985 /nfs/dbraw/zinc/49/19/85/453491985.db2.gz KBVONIICROUCHL-FXAWDEMLSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000660656227 453491993 /nfs/dbraw/zinc/49/19/93/453491993.db2.gz KBVONIICROUCHL-FXAWDEMLSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000660656227 453491997 /nfs/dbraw/zinc/49/19/97/453491997.db2.gz KBVONIICROUCHL-FXAWDEMLSA-N 2 2 343.471 1.524 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)C2=O)n1 ZINC000660658702 453497077 /nfs/dbraw/zinc/49/70/77/453497077.db2.gz JEYMDXQUWVQGSW-QAPCUYQASA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)C2=O)n1 ZINC000660658702 453497085 /nfs/dbraw/zinc/49/70/85/453497085.db2.gz JEYMDXQUWVQGSW-QAPCUYQASA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)C2=O)n1 ZINC000660658702 453497089 /nfs/dbraw/zinc/49/70/89/453497089.db2.gz JEYMDXQUWVQGSW-QAPCUYQASA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)C2=O)n1 ZINC000660658702 453497097 /nfs/dbraw/zinc/49/70/97/453497097.db2.gz JEYMDXQUWVQGSW-QAPCUYQASA-N 2 2 331.464 1.333 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000660692619 453518205 /nfs/dbraw/zinc/51/82/05/453518205.db2.gz NUHSZYJWXFFUMA-QGZVFWFLSA-N 2 2 339.524 1.850 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1[nH+]ccn1C ZINC000660693391 453519478 /nfs/dbraw/zinc/51/94/78/453519478.db2.gz XKYZGKRUQRXWFZ-KGLIPLIRSA-N 2 2 335.452 1.281 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662786294 453520389 /nfs/dbraw/zinc/52/03/89/453520389.db2.gz QWLJFFWHPLFSGX-ZDUSSCGKSA-N 2 2 337.221 1.841 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1cccc(-n2cnnn2)c1 ZINC000651381426 453520901 /nfs/dbraw/zinc/52/09/01/453520901.db2.gz LASCTOZUAFQSKB-HOCLYGCPSA-N 2 2 330.436 1.160 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1cccc(-n2cnnn2)c1 ZINC000651381426 453520904 /nfs/dbraw/zinc/52/09/04/453520904.db2.gz LASCTOZUAFQSKB-HOCLYGCPSA-N 2 2 330.436 1.160 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000667325903 453557088 /nfs/dbraw/zinc/55/70/88/453557088.db2.gz HSKAPGGJURWUKF-ROUUACIJSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000667325903 453557095 /nfs/dbraw/zinc/55/70/95/453557095.db2.gz HSKAPGGJURWUKF-ROUUACIJSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667325903 453557101 /nfs/dbraw/zinc/55/71/01/453557101.db2.gz HSKAPGGJURWUKF-ROUUACIJSA-N 2 2 330.476 1.997 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000667325903 453557108 /nfs/dbraw/zinc/55/71/08/453557108.db2.gz HSKAPGGJURWUKF-ROUUACIJSA-N 2 2 330.476 1.997 20 0 EDADLP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000665134326 453585827 /nfs/dbraw/zinc/58/58/27/453585827.db2.gz PIWMGSWRRHEXLM-OAHLLOKOSA-N 2 2 347.484 1.889 20 0 EDADLP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899137 453593789 /nfs/dbraw/zinc/59/37/89/453593789.db2.gz BVWYSNHMRPJJMP-CQSZACIVSA-N 3 2 349.479 1.109 20 0 EDADLP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899137 453593793 /nfs/dbraw/zinc/59/37/93/453593793.db2.gz BVWYSNHMRPJJMP-CQSZACIVSA-N 3 2 349.479 1.109 20 0 EDADLP [NH3+]C[C@@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1ccccc1 ZINC000662911875 453599276 /nfs/dbraw/zinc/59/92/76/453599276.db2.gz WTCYZHLWKJQSRU-GOSISDBHSA-N 2 2 331.460 1.300 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662911381 453599467 /nfs/dbraw/zinc/59/94/67/453599467.db2.gz SNQSIPYWYGXNHR-BZSNNMDCSA-N 2 2 335.492 1.478 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000665221363 453612633 /nfs/dbraw/zinc/61/26/33/453612633.db2.gz CVUXSRRNIZNIGG-QGZVFWFLSA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000665221363 453612636 /nfs/dbraw/zinc/61/26/36/453612636.db2.gz CVUXSRRNIZNIGG-QGZVFWFLSA-N 2 2 340.512 1.374 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659092306 453626268 /nfs/dbraw/zinc/62/62/68/453626268.db2.gz SSQRBUTUUHJXFM-CQSZACIVSA-N 2 2 346.431 1.267 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(C)(C)CO ZINC000665255229 453627345 /nfs/dbraw/zinc/62/73/45/453627345.db2.gz MJUPHNWKNLLQHD-MJBXVCDLSA-N 2 2 337.468 1.119 20 0 EDADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1OCC(=O)N(C)C ZINC000665276713 453632965 /nfs/dbraw/zinc/63/29/65/453632965.db2.gz KXESUFUFCUFEIS-RCDNUKIMSA-N 2 2 331.460 1.946 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663237283 453742544 /nfs/dbraw/zinc/74/25/44/453742544.db2.gz HMPCUQBXBMRLEC-UHFFFAOYSA-N 2 2 335.452 1.027 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H]2COC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000657304694 453761475 /nfs/dbraw/zinc/76/14/75/453761475.db2.gz OAXVNYJYHUYQAW-SJORKVTESA-N 2 2 344.459 1.231 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H]2COC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000657304694 453761478 /nfs/dbraw/zinc/76/14/78/453761478.db2.gz OAXVNYJYHUYQAW-SJORKVTESA-N 2 2 344.459 1.231 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000657341342 453769425 /nfs/dbraw/zinc/76/94/25/453769425.db2.gz VNDUDTDZQGXJQL-INIZCTEOSA-N 2 2 333.480 1.330 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000657341342 453769426 /nfs/dbraw/zinc/76/94/26/453769426.db2.gz VNDUDTDZQGXJQL-INIZCTEOSA-N 2 2 333.480 1.330 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661274573 453780143 /nfs/dbraw/zinc/78/01/43/453780143.db2.gz BXKRBMOFWLKPQK-UKRRQHHQSA-N 2 2 335.452 1.517 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000679886960 486662521 /nfs/dbraw/zinc/66/25/21/486662521.db2.gz LQBPJCHNMNKLGS-KRWDZBQOSA-N 2 2 339.443 1.991 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000679886960 486662523 /nfs/dbraw/zinc/66/25/23/486662523.db2.gz LQBPJCHNMNKLGS-KRWDZBQOSA-N 2 2 339.443 1.991 20 0 EDADLP O[C@H](CN[C@H](C[NH+]1CCCCC1)c1ccccc1)C[NH+]1CCOCC1 ZINC000679941918 486678148 /nfs/dbraw/zinc/67/81/48/486678148.db2.gz YQZWRUZEYJHWHY-WOJBJXKFSA-N 2 2 347.503 1.496 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2nnnn2C2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000683370902 486698791 /nfs/dbraw/zinc/69/87/91/486698791.db2.gz VBYWIWXRIYGRPN-HIFRSBDPSA-N 2 2 331.424 1.304 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2nnnn2C2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000683370902 486698794 /nfs/dbraw/zinc/69/87/94/486698794.db2.gz VBYWIWXRIYGRPN-HIFRSBDPSA-N 2 2 331.424 1.304 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)[N@H+](C)C1 ZINC000413960141 486709305 /nfs/dbraw/zinc/70/93/05/486709305.db2.gz UBQCQFJKEDMWGO-NJAFHUGGSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)[N@@H+](C)C1 ZINC000413960141 486709309 /nfs/dbraw/zinc/70/93/09/486709309.db2.gz UBQCQFJKEDMWGO-NJAFHUGGSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C1 ZINC000413960141 486709313 /nfs/dbraw/zinc/70/93/13/486709313.db2.gz UBQCQFJKEDMWGO-NJAFHUGGSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C1 ZINC000413960141 486709317 /nfs/dbraw/zinc/70/93/17/486709317.db2.gz UBQCQFJKEDMWGO-NJAFHUGGSA-N 2 2 331.460 1.438 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCC3(F)CCC3)C2)CC1 ZINC000672427623 486708005 /nfs/dbraw/zinc/70/80/05/486708005.db2.gz TWMVMYLUGMEDBN-CQSZACIVSA-N 2 2 326.460 1.736 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCC3(F)CCC3)C2)CC1 ZINC000672427623 486708007 /nfs/dbraw/zinc/70/80/07/486708007.db2.gz TWMVMYLUGMEDBN-CQSZACIVSA-N 2 2 326.460 1.736 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@@H]4CC[N@H+](C)C[C@H]43)nc(N)c2cc1OC ZINC000374853820 486738779 /nfs/dbraw/zinc/73/87/79/486738779.db2.gz COLAYVYRBIKCJB-SMDDNHRTSA-N 2 2 343.431 1.760 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)nc(N)c2cc1OC ZINC000374853820 486738785 /nfs/dbraw/zinc/73/87/85/486738785.db2.gz COLAYVYRBIKCJB-SMDDNHRTSA-N 2 2 343.431 1.760 20 0 EDADLP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676348070 486743996 /nfs/dbraw/zinc/74/39/96/486743996.db2.gz MEMPADOIMPCEOD-RDTXWAMCSA-N 2 2 340.427 1.696 20 0 EDADLP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676348070 486744002 /nfs/dbraw/zinc/74/40/02/486744002.db2.gz MEMPADOIMPCEOD-RDTXWAMCSA-N 2 2 340.427 1.696 20 0 EDADLP CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680536606 486804029 /nfs/dbraw/zinc/80/40/29/486804029.db2.gz SJRZPGXBWQFBBN-CQSZACIVSA-N 2 2 331.464 1.246 20 0 EDADLP CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680536606 486804032 /nfs/dbraw/zinc/80/40/32/486804032.db2.gz SJRZPGXBWQFBBN-CQSZACIVSA-N 2 2 331.464 1.246 20 0 EDADLP CC(C)OCCCNC(=O)C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667501901 486811533 /nfs/dbraw/zinc/81/15/33/486811533.db2.gz OFCXAXWOAGYJSP-UHFFFAOYSA-N 2 2 348.491 1.973 20 0 EDADLP CSc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000685616285 486867786 /nfs/dbraw/zinc/86/77/86/486867786.db2.gz TWUVWFPWWXNQPV-CQSZACIVSA-N 2 2 341.546 1.966 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000676907320 486924735 /nfs/dbraw/zinc/92/47/35/486924735.db2.gz BUVKQVRUDDPDSM-QGZVFWFLSA-N 2 2 336.867 1.987 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000676907319 486924871 /nfs/dbraw/zinc/92/48/71/486924871.db2.gz BUVKQVRUDDPDSM-KRWDZBQOSA-N 2 2 336.867 1.987 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684149896 486959774 /nfs/dbraw/zinc/95/97/74/486959774.db2.gz QUNREWLCUJFROZ-CQSZACIVSA-N 2 2 343.431 1.509 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684149896 486959779 /nfs/dbraw/zinc/95/97/79/486959779.db2.gz QUNREWLCUJFROZ-CQSZACIVSA-N 2 2 343.431 1.509 20 0 EDADLP CCn1nccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000681282550 487002047 /nfs/dbraw/zinc/00/20/47/487002047.db2.gz MBLUSHBJQOQRQA-XYPWUTKMSA-N 2 2 331.464 1.286 20 0 EDADLP CCn1nccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000681282550 487002052 /nfs/dbraw/zinc/00/20/52/487002052.db2.gz MBLUSHBJQOQRQA-XYPWUTKMSA-N 2 2 331.464 1.286 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)[NH+](CC)CC ZINC000673467160 487010294 /nfs/dbraw/zinc/01/02/94/487010294.db2.gz GBFITDBTIRVKMR-GJZGRUSLSA-N 2 2 337.468 1.518 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+](CC)CC ZINC000673467160 487010297 /nfs/dbraw/zinc/01/02/97/487010297.db2.gz GBFITDBTIRVKMR-GJZGRUSLSA-N 2 2 337.468 1.518 20 0 EDADLP COCCC1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000684387301 487045092 /nfs/dbraw/zinc/04/50/92/487045092.db2.gz GOAPILXEZDJIHG-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP COCCC1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000684387301 487045095 /nfs/dbraw/zinc/04/50/95/487045095.db2.gz GOAPILXEZDJIHG-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)CC3CCC3)C2)CC1 ZINC000684375366 487042112 /nfs/dbraw/zinc/04/21/12/487042112.db2.gz IURDEYAPDVCODB-JKSUJKDBSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CO)CC3CCC3)C2)CC1 ZINC000684375366 487042117 /nfs/dbraw/zinc/04/21/17/487042117.db2.gz IURDEYAPDVCODB-JKSUJKDBSA-N 2 2 338.496 1.005 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000684470584 487070621 /nfs/dbraw/zinc/07/06/21/487070621.db2.gz WQSBQVOYCJTICW-UHFFFAOYSA-N 2 2 328.416 1.938 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000684470584 487070628 /nfs/dbraw/zinc/07/06/28/487070628.db2.gz WQSBQVOYCJTICW-UHFFFAOYSA-N 2 2 328.416 1.938 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[NH+](CC4CC4)CC3)[nH+]c12 ZINC000673777850 487111437 /nfs/dbraw/zinc/11/14/37/487111437.db2.gz RHMIIKCMDIKXML-UHFFFAOYSA-N 2 2 341.459 1.922 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(=O)NC3CC3)cn2)CC1 ZINC000674043957 487190606 /nfs/dbraw/zinc/19/06/06/487190606.db2.gz ZZJAZPDIQXWIBK-UHFFFAOYSA-N 2 2 331.464 1.412 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cccnc21 ZINC000684954582 487200185 /nfs/dbraw/zinc/20/01/85/487200185.db2.gz AKVRLHGEXYQNDH-DLBZAZTESA-N 2 2 330.476 1.991 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)n1C ZINC000533819332 487351717 /nfs/dbraw/zinc/35/17/17/487351717.db2.gz MQIVPLKICWRCET-INIZCTEOSA-N 2 2 342.447 1.472 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n1C ZINC000533819332 487351721 /nfs/dbraw/zinc/35/17/21/487351721.db2.gz MQIVPLKICWRCET-INIZCTEOSA-N 2 2 342.447 1.472 20 0 EDADLP Clc1sccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000682941708 487433535 /nfs/dbraw/zinc/43/35/35/487433535.db2.gz BKFWZRPPTOQLHX-AWEZNQCLSA-N 2 2 329.897 1.898 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c2c(nn1C)CCCC2 ZINC000675794709 487444731 /nfs/dbraw/zinc/44/47/31/487444731.db2.gz RVAXGUZQVWVFGY-UHFFFAOYSA-N 2 2 347.507 1.397 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c2c(nn1C)CCCC2 ZINC000675794709 487444732 /nfs/dbraw/zinc/44/47/32/487444732.db2.gz RVAXGUZQVWVFGY-UHFFFAOYSA-N 2 2 347.507 1.397 20 0 EDADLP Cc1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000675806945 487446214 /nfs/dbraw/zinc/44/62/14/487446214.db2.gz AQWKXRYFGQQSKQ-QGZVFWFLSA-N 2 2 326.448 1.551 20 0 EDADLP C[C@H]([NH2+][C@@]1(C)CCO[C@H]1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000683146618 487455175 /nfs/dbraw/zinc/45/51/75/487455175.db2.gz MOTQVCKSGMNPCL-MPGHIAIKSA-N 2 2 332.448 1.276 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCC(=O)c1ccccc1 ZINC000679671645 487456125 /nfs/dbraw/zinc/45/61/25/487456125.db2.gz UFOFKIPNLNSRQJ-KRWDZBQOSA-N 2 2 340.427 1.909 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCC(=O)c1ccccc1 ZINC000679671645 487456128 /nfs/dbraw/zinc/45/61/28/487456128.db2.gz UFOFKIPNLNSRQJ-KRWDZBQOSA-N 2 2 340.427 1.909 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)[nH+]c12 ZINC000669512064 485476675 /nfs/dbraw/zinc/47/66/75/485476675.db2.gz UNGJVHIZAVLKIT-UAGQMJEPSA-N 2 2 341.459 1.954 20 0 EDADLP CN(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000670985800 485609330 /nfs/dbraw/zinc/60/93/30/485609330.db2.gz JNVKHZLMGKAFFO-GOSISDBHSA-N 2 2 331.460 1.836 20 0 EDADLP CN(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000670985800 485609334 /nfs/dbraw/zinc/60/93/34/485609334.db2.gz JNVKHZLMGKAFFO-GOSISDBHSA-N 2 2 331.460 1.836 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000669092192 485639563 /nfs/dbraw/zinc/63/95/63/485639563.db2.gz KYHCZIBKUGDOSR-AWEZNQCLSA-N 2 2 349.479 1.144 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000669092192 485639571 /nfs/dbraw/zinc/63/95/71/485639571.db2.gz KYHCZIBKUGDOSR-AWEZNQCLSA-N 2 2 349.479 1.144 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCO1 ZINC000669165016 485760491 /nfs/dbraw/zinc/76/04/91/485760491.db2.gz DUAISKQUBXSHSI-HOCLYGCPSA-N 2 2 347.463 1.330 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000668610758 485944514 /nfs/dbraw/zinc/94/45/14/485944514.db2.gz GEUAMHRHZBZFBT-FGTMMUONSA-N 2 2 346.475 1.457 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000668610758 485944522 /nfs/dbraw/zinc/94/45/22/485944522.db2.gz GEUAMHRHZBZFBT-FGTMMUONSA-N 2 2 346.475 1.457 20 0 EDADLP Cc1ccn([C@H](C)CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668616963 485954445 /nfs/dbraw/zinc/95/44/45/485954445.db2.gz IKLPTXDIUZYQQH-SJLPKXTDSA-N 2 2 347.507 1.770 20 0 EDADLP Cc1ccn([C@H](C)CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668616963 485954449 /nfs/dbraw/zinc/95/44/49/485954449.db2.gz IKLPTXDIUZYQQH-SJLPKXTDSA-N 2 2 347.507 1.770 20 0 EDADLP CCCn1nccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617316 485956361 /nfs/dbraw/zinc/95/63/61/485956361.db2.gz JPCBWKWIAALNJG-MRXNPFEDSA-N 2 2 333.480 1.534 20 0 EDADLP CCCn1nccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617316 485956367 /nfs/dbraw/zinc/95/63/67/485956367.db2.gz JPCBWKWIAALNJG-MRXNPFEDSA-N 2 2 333.480 1.534 20 0 EDADLP Cn1ncc(C2CCC2)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668639218 485981683 /nfs/dbraw/zinc/98/16/83/485981683.db2.gz GEEHWAQTACXVPL-HNNXBMFYSA-N 2 2 345.491 1.586 20 0 EDADLP Cn1ncc(C2CCC2)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668639218 485981692 /nfs/dbraw/zinc/98/16/92/485981692.db2.gz GEEHWAQTACXVPL-HNNXBMFYSA-N 2 2 345.491 1.586 20 0 EDADLP Cc1ccn([C@H](C)CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640869 485985752 /nfs/dbraw/zinc/98/57/52/485985752.db2.gz XXWCUZSEXWGIKV-HZPDHXFCSA-N 2 2 333.480 1.427 20 0 EDADLP Cc1ccn([C@H](C)CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640869 485985756 /nfs/dbraw/zinc/98/57/56/485985756.db2.gz XXWCUZSEXWGIKV-HZPDHXFCSA-N 2 2 333.480 1.427 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)C1 ZINC000237973220 486021159 /nfs/dbraw/zinc/02/11/59/486021159.db2.gz DLPOSQMHARYVEW-MKXGPGLRSA-N 2 2 343.471 1.616 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)C1 ZINC000237973220 486021165 /nfs/dbraw/zinc/02/11/65/486021165.db2.gz DLPOSQMHARYVEW-MKXGPGLRSA-N 2 2 343.471 1.616 20 0 EDADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668689807 486051036 /nfs/dbraw/zinc/05/10/36/486051036.db2.gz XUCJVDARDWABFW-OAHLLOKOSA-N 2 2 328.420 1.455 20 0 EDADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668689807 486051042 /nfs/dbraw/zinc/05/10/42/486051042.db2.gz XUCJVDARDWABFW-OAHLLOKOSA-N 2 2 328.420 1.455 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740495 486113234 /nfs/dbraw/zinc/11/32/34/486113234.db2.gz UJQZDUOBRHLQCW-LJQANCHMSA-N 3 2 341.459 1.607 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740495 486113239 /nfs/dbraw/zinc/11/32/39/486113239.db2.gz UJQZDUOBRHLQCW-LJQANCHMSA-N 3 2 341.459 1.607 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000133117146 491219362 /nfs/dbraw/zinc/21/93/62/491219362.db2.gz FGNCMZJEWATNQU-GDBMZVCRSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000133117146 491219363 /nfs/dbraw/zinc/21/93/63/491219363.db2.gz FGNCMZJEWATNQU-GDBMZVCRSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)COc2cccc(-n3cc[nH+]c3)c2)C[C@@H](C)O1 ZINC000305273266 491010821 /nfs/dbraw/zinc/01/08/21/491010821.db2.gz ADRFBHVDCHZLKK-BFYDXBDKSA-N 2 2 331.416 1.721 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420298021 500627048 /nfs/dbraw/zinc/62/70/48/500627048.db2.gz ZNGJGPNMUSQPBC-QGZVFWFLSA-N 2 2 341.521 1.753 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000420298021 500627051 /nfs/dbraw/zinc/62/70/51/500627051.db2.gz ZNGJGPNMUSQPBC-QGZVFWFLSA-N 2 2 341.521 1.753 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418481885 500862957 /nfs/dbraw/zinc/86/29/57/500862957.db2.gz AGXDVZAVRADNSA-MRXNPFEDSA-N 2 2 332.448 1.260 20 0 EDADLP CC(C)c1nc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc[nH+]1 ZINC000131647943 534910610 /nfs/dbraw/zinc/91/06/10/534910610.db2.gz RMDVOOWATGODMS-UHFFFAOYSA-N 2 2 327.436 1.783 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000184314024 527861533 /nfs/dbraw/zinc/86/15/33/527861533.db2.gz VQBKIMHOLCGHKV-PKOBYXMFSA-N 2 2 346.519 1.822 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000184314024 527861541 /nfs/dbraw/zinc/86/15/41/527861541.db2.gz VQBKIMHOLCGHKV-PKOBYXMFSA-N 2 2 346.519 1.822 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000184314024 527861545 /nfs/dbraw/zinc/86/15/45/527861545.db2.gz VQBKIMHOLCGHKV-PKOBYXMFSA-N 2 2 346.519 1.822 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000184314024 527861547 /nfs/dbraw/zinc/86/15/47/527861547.db2.gz VQBKIMHOLCGHKV-PKOBYXMFSA-N 2 2 346.519 1.822 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000247094321 535136506 /nfs/dbraw/zinc/13/65/06/535136506.db2.gz JOQPUHNZOVLJRZ-YESZJQIVSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000247094321 535136510 /nfs/dbraw/zinc/13/65/10/535136510.db2.gz JOQPUHNZOVLJRZ-YESZJQIVSA-N 2 2 340.512 1.373 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000340041248 535565999 /nfs/dbraw/zinc/56/59/99/535565999.db2.gz HGHRXPVFNYOFBC-UHFFFAOYSA-N 2 2 340.493 1.443 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000262268547 535649716 /nfs/dbraw/zinc/64/97/16/535649716.db2.gz SEDSVONWBLHTST-LPHOPBHVSA-N 2 2 346.475 1.258 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000236910204 535850111 /nfs/dbraw/zinc/85/01/11/535850111.db2.gz QDMUYRZCBPKJPD-MAUKXSAKSA-N 2 2 348.491 1.625 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000339514136 536089208 /nfs/dbraw/zinc/08/92/08/536089208.db2.gz LCJSDHKHFRRDOH-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000339514136 536089212 /nfs/dbraw/zinc/08/92/12/536089212.db2.gz LCJSDHKHFRRDOH-RBUKOAKNSA-N 2 2 345.487 1.830 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)C3([NH3+])CCOCC3)CC2)s1 ZINC000261905234 536174092 /nfs/dbraw/zinc/17/40/92/536174092.db2.gz SGDRJNJNWODESQ-UHFFFAOYSA-N 2 2 337.489 1.463 20 0 EDADLP C[NH+](C)CCCCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000741208683 579401226 /nfs/dbraw/zinc/40/12/26/579401226.db2.gz FEIFZWYZKUYPMB-UHFFFAOYSA-N 2 2 346.475 1.745 20 0 EDADLP COC[C@H](C)NC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741873353 579430856 /nfs/dbraw/zinc/43/08/56/579430856.db2.gz DHSKJRUXKPCDJO-HNNXBMFYSA-N 2 2 342.553 1.436 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cn3cc[nH]c3=S)CC2)CC1 ZINC000743363449 579477282 /nfs/dbraw/zinc/47/72/82/579477282.db2.gz HMSMASPATLAEGY-UHFFFAOYSA-N 2 2 337.493 1.005 20 0 EDADLP CC(C)[C@@H]1C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CCS1 ZINC000743399001 579479094 /nfs/dbraw/zinc/47/90/94/579479094.db2.gz LYNIVGMWBLCGJH-ZDUSSCGKSA-N 2 2 340.493 1.034 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CCS1 ZINC000743399001 579479095 /nfs/dbraw/zinc/47/90/95/579479095.db2.gz LYNIVGMWBLCGJH-ZDUSSCGKSA-N 2 2 340.493 1.034 20 0 EDADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCC[NH+](C)C ZINC000743503639 579482665 /nfs/dbraw/zinc/48/26/65/579482665.db2.gz IQBKAFSHWMXZOI-LBPRGKRZSA-N 2 2 348.900 1.246 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000727646930 578536863 /nfs/dbraw/zinc/53/68/63/578536863.db2.gz LRDFVLJEYQWGIU-UHFFFAOYSA-N 3 2 342.447 1.757 20 0 EDADLP C[C@H](c1cccc(NC(=S)NCC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000729162589 578560473 /nfs/dbraw/zinc/56/04/73/578560473.db2.gz FHJOOESNCZXVJP-CQSZACIVSA-N 2 2 336.505 1.928 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@@H](O)c2ccc(F)cc2)nc[nH+]1 ZINC000729919784 578599149 /nfs/dbraw/zinc/59/91/49/578599149.db2.gz CUPCTMSGPZXDEF-HZPDHXFCSA-N 2 2 345.422 1.949 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000731890893 578682351 /nfs/dbraw/zinc/68/23/51/578682351.db2.gz ICTDNNVUJOPQAO-KRWDZBQOSA-N 2 2 325.497 1.822 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000731890893 578682352 /nfs/dbraw/zinc/68/23/52/578682352.db2.gz ICTDNNVUJOPQAO-KRWDZBQOSA-N 2 2 325.497 1.822 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000733162661 578745121 /nfs/dbraw/zinc/74/51/21/578745121.db2.gz QUKQPDSCLFJFQU-HNNXBMFYSA-N 2 2 342.447 1.023 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000733164601 578745436 /nfs/dbraw/zinc/74/54/36/578745436.db2.gz YTCPEIVZBKOWAM-UHFFFAOYSA-N 2 2 346.475 1.374 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000733164601 578745437 /nfs/dbraw/zinc/74/54/37/578745437.db2.gz YTCPEIVZBKOWAM-UHFFFAOYSA-N 2 2 346.475 1.374 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C3(C)OCCO3)CC2)CC1 ZINC000760900024 580040870 /nfs/dbraw/zinc/04/08/70/580040870.db2.gz TUNXWIDKFRLSIP-OAHLLOKOSA-N 2 2 339.480 1.014 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736145673 578957413 /nfs/dbraw/zinc/95/74/13/578957413.db2.gz VSPXAAJMQKEABU-CYBMUJFWSA-N 2 2 330.436 1.144 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736145673 578957414 /nfs/dbraw/zinc/95/74/14/578957414.db2.gz VSPXAAJMQKEABU-CYBMUJFWSA-N 2 2 330.436 1.144 20 0 EDADLP CCn1cnn(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1=S ZINC000738111447 579160808 /nfs/dbraw/zinc/16/08/08/579160808.db2.gz LVUDDAQVHBMELH-UHFFFAOYSA-N 2 2 339.509 1.826 20 0 EDADLP O=C1CN(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738158599 579166070 /nfs/dbraw/zinc/16/60/70/579166070.db2.gz MYVKXHGEWOCRRL-INIZCTEOSA-N 2 2 339.399 1.946 20 0 EDADLP O=C1CN(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738158599 579166072 /nfs/dbraw/zinc/16/60/72/579166072.db2.gz MYVKXHGEWOCRRL-INIZCTEOSA-N 2 2 339.399 1.946 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000749844806 579742035 /nfs/dbraw/zinc/74/20/35/579742035.db2.gz NLULVIWSGQBCPB-NSHDSACASA-N 2 2 340.387 1.810 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000749844806 579742036 /nfs/dbraw/zinc/74/20/36/579742036.db2.gz NLULVIWSGQBCPB-NSHDSACASA-N 2 2 340.387 1.810 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c(N(C)C)[nH+]1 ZINC000750246227 579756813 /nfs/dbraw/zinc/75/68/13/579756813.db2.gz JXXPUAWETYCHHY-UHFFFAOYSA-N 2 2 345.447 1.091 20 0 EDADLP Cc1ccc(N2CCC(C(=O)OCCC[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000750883400 579785788 /nfs/dbraw/zinc/78/57/88/579785788.db2.gz GACXTHYCBDACFS-UHFFFAOYSA-N 2 2 347.459 1.872 20 0 EDADLP COc1ccccc1[C@H](NC(=O)NCC[NH+]1CCC1)c1[nH+]ccn1C ZINC000752642636 579862835 /nfs/dbraw/zinc/86/28/35/579862835.db2.gz WAYNZQFWNSRUBD-INIZCTEOSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1cc(-n2c(C)cn(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)c2=O)no1 ZINC000755789911 579935296 /nfs/dbraw/zinc/93/52/96/579935296.db2.gz OSEQHSCCSKRZKW-AWEZNQCLSA-N 2 2 342.403 1.424 20 0 EDADLP Cc1cc(-n2c(C)cn(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)c2=O)no1 ZINC000755789911 579935297 /nfs/dbraw/zinc/93/52/97/579935297.db2.gz OSEQHSCCSKRZKW-AWEZNQCLSA-N 2 2 342.403 1.424 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)NC[C@H]3CCCCO3)C2)CC1 ZINC000758229959 579977689 /nfs/dbraw/zinc/97/76/89/579977689.db2.gz LCKTVAJSTSHYIA-GOEBONIOSA-N 2 2 340.537 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)NC[C@H]3CCCCO3)C2)CC1 ZINC000758229959 579977690 /nfs/dbraw/zinc/97/76/90/579977690.db2.gz LCKTVAJSTSHYIA-GOEBONIOSA-N 2 2 340.537 1.188 20 0 EDADLP Cc1c([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000765416863 580141674 /nfs/dbraw/zinc/14/16/74/580141674.db2.gz NFNMJIVKVDLKQI-HNNXBMFYSA-N 2 2 341.459 1.605 20 0 EDADLP O=C1C[C@H](c2cccnc2)CN1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000765694285 580148846 /nfs/dbraw/zinc/14/88/46/580148846.db2.gz OABHDMFODCWMDW-INIZCTEOSA-N 2 2 325.416 1.889 20 0 EDADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC(=O)NC1=O ZINC000765960536 580155038 /nfs/dbraw/zinc/15/50/38/580155038.db2.gz ANKNHHLCRVQQOA-HNNXBMFYSA-N 2 2 330.432 1.425 20 0 EDADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC(=O)NC1=O ZINC000765960536 580155039 /nfs/dbraw/zinc/15/50/39/580155039.db2.gz ANKNHHLCRVQQOA-HNNXBMFYSA-N 2 2 330.432 1.425 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000766248696 580162714 /nfs/dbraw/zinc/16/27/14/580162714.db2.gz MNIGAQNFDPFXLK-ZFWWWQNUSA-N 2 2 338.452 1.806 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000766248696 580162715 /nfs/dbraw/zinc/16/27/15/580162715.db2.gz MNIGAQNFDPFXLK-ZFWWWQNUSA-N 2 2 338.452 1.806 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)OCCn3cc[nH+]c3)cc2)CC1 ZINC000771978925 580300110 /nfs/dbraw/zinc/30/01/10/580300110.db2.gz QYFYQGQTJSEBFQ-UHFFFAOYSA-N 2 2 328.416 1.882 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)C1 ZINC000773320891 580333923 /nfs/dbraw/zinc/33/39/23/580333923.db2.gz JMIYCYVNFGWZIG-PXAZEXFGSA-N 2 2 333.436 1.524 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)C1 ZINC000773320891 580333924 /nfs/dbraw/zinc/33/39/24/580333924.db2.gz JMIYCYVNFGWZIG-PXAZEXFGSA-N 2 2 333.436 1.524 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC000774354230 580360339 /nfs/dbraw/zinc/36/03/39/580360339.db2.gz NETFQRHMOLRPBG-ZXFUBFMLSA-N 2 2 344.459 1.662 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC000774354230 580360340 /nfs/dbraw/zinc/36/03/40/580360340.db2.gz NETFQRHMOLRPBG-ZXFUBFMLSA-N 2 2 344.459 1.662 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc2C1 ZINC000779054617 580478496 /nfs/dbraw/zinc/47/84/96/580478496.db2.gz FZPJQFOEQOQPEE-HBFSDRIKSA-N 2 2 343.471 1.933 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc2C1 ZINC000779054617 580478497 /nfs/dbraw/zinc/47/84/97/580478497.db2.gz FZPJQFOEQOQPEE-HBFSDRIKSA-N 2 2 343.471 1.933 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000781093926 580541926 /nfs/dbraw/zinc/54/19/26/580541926.db2.gz PULNWRSGQDKFQN-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000781093926 580541927 /nfs/dbraw/zinc/54/19/27/580541927.db2.gz PULNWRSGQDKFQN-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000783775941 580605967 /nfs/dbraw/zinc/60/59/67/580605967.db2.gz KBRUQLJXVNCSMK-FZKCQIBNSA-N 2 2 339.480 1.344 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000783775941 580605968 /nfs/dbraw/zinc/60/59/68/580605968.db2.gz KBRUQLJXVNCSMK-FZKCQIBNSA-N 2 2 339.480 1.344 20 0 EDADLP CN(CC[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O)c1ccccc1 ZINC000783986984 580610342 /nfs/dbraw/zinc/61/03/42/580610342.db2.gz FSYLKSVFGFOCFF-MRXNPFEDSA-N 2 2 341.459 1.762 20 0 EDADLP CN(CC[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O)c1ccccc1 ZINC000783986984 580610343 /nfs/dbraw/zinc/61/03/43/580610343.db2.gz FSYLKSVFGFOCFF-MRXNPFEDSA-N 2 2 341.459 1.762 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000783995027 580611170 /nfs/dbraw/zinc/61/11/70/580611170.db2.gz QQSIFVAMRKZGIV-JKSUJKDBSA-N 2 2 331.464 1.111 20 0 EDADLP CO[C@]1(C)C[C@H]([N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1(C)C ZINC000783995884 580611231 /nfs/dbraw/zinc/61/12/31/580611231.db2.gz MFVOZXRZIIFCFR-QIIPPGSGSA-N 2 2 334.464 1.829 20 0 EDADLP CO[C@]1(C)C[C@H]([N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1(C)C ZINC000783995884 580611232 /nfs/dbraw/zinc/61/12/32/580611232.db2.gz MFVOZXRZIIFCFR-QIIPPGSGSA-N 2 2 334.464 1.829 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786829428 580680570 /nfs/dbraw/zinc/68/05/70/580680570.db2.gz RAXLSKNCMVWIQY-QAPCUYQASA-N 2 2 346.475 1.978 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786829428 580680571 /nfs/dbraw/zinc/68/05/71/580680571.db2.gz RAXLSKNCMVWIQY-QAPCUYQASA-N 2 2 346.475 1.978 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccnc1F ZINC000793301091 580841333 /nfs/dbraw/zinc/84/13/33/580841333.db2.gz HVYDIKAEYJLFAG-UHFFFAOYSA-N 2 2 337.443 1.388 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccnc1F ZINC000793301091 580841334 /nfs/dbraw/zinc/84/13/34/580841334.db2.gz HVYDIKAEYJLFAG-UHFFFAOYSA-N 2 2 337.443 1.388 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@@H](C(F)F)C3)c2cc1C ZINC000801565677 581080109 /nfs/dbraw/zinc/08/01/09/581080109.db2.gz HEQMUXFEVLZIMS-CZUORRHYSA-N 2 2 339.386 1.980 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@@H](C(F)F)C3)c2cc1C ZINC000801565677 581080110 /nfs/dbraw/zinc/08/01/10/581080110.db2.gz HEQMUXFEVLZIMS-CZUORRHYSA-N 2 2 339.386 1.980 20 0 EDADLP CNc1cc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc[nH+]1 ZINC000891845043 590650778 /nfs/dbraw/zinc/65/07/78/590650778.db2.gz NGPHMLZPDROAMR-UHFFFAOYSA-N 2 2 340.431 1.518 20 0 EDADLP CNc1cc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[nH+]cn1 ZINC000891845043 590650781 /nfs/dbraw/zinc/65/07/81/590650781.db2.gz NGPHMLZPDROAMR-UHFFFAOYSA-N 2 2 340.431 1.518 20 0 EDADLP COCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)o1 ZINC000893113191 590668294 /nfs/dbraw/zinc/66/82/94/590668294.db2.gz GMCRVGAWPUBXLC-SJORKVTESA-N 2 2 338.448 1.772 20 0 EDADLP CNc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc[nH+]1 ZINC000892161971 590833608 /nfs/dbraw/zinc/83/36/08/590833608.db2.gz UJXBKQFWZWDZIK-UHFFFAOYSA-N 3 2 327.436 1.538 20 0 EDADLP CNc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH+]cn1 ZINC000892161971 590833610 /nfs/dbraw/zinc/83/36/10/590833610.db2.gz UJXBKQFWZWDZIK-UHFFFAOYSA-N 3 2 327.436 1.538 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000890931796 590853834 /nfs/dbraw/zinc/85/38/34/590853834.db2.gz PAQIBTBRYYUWJX-HNNXBMFYSA-N 2 2 328.501 1.374 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000890931796 590853839 /nfs/dbraw/zinc/85/38/39/590853839.db2.gz PAQIBTBRYYUWJX-HNNXBMFYSA-N 2 2 328.501 1.374 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C[C@]2(C)C1 ZINC000892280108 590910393 /nfs/dbraw/zinc/91/03/93/590910393.db2.gz GKIOVUPWHKOCFI-APWZRJJASA-N 2 2 339.443 1.965 20 0 EDADLP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccccc3-n3cc[nH+]c3)C[C@]2(C)C1 ZINC000892280108 590910395 /nfs/dbraw/zinc/91/03/95/590910395.db2.gz GKIOVUPWHKOCFI-APWZRJJASA-N 2 2 339.443 1.965 20 0 EDADLP Cc1cc(NCCNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)nc(C(C)C)[nH+]1 ZINC000892280593 590911080 /nfs/dbraw/zinc/91/10/80/590911080.db2.gz CKFBYFDAANHJLN-KBXCAEBGSA-N 2 2 346.479 1.571 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCO1 ZINC000891470669 591084152 /nfs/dbraw/zinc/08/41/52/591084152.db2.gz FVXZDKGAZXKMPP-KRWDZBQOSA-N 2 2 346.475 1.111 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCO1 ZINC000891470669 591084158 /nfs/dbraw/zinc/08/41/58/591084158.db2.gz FVXZDKGAZXKMPP-KRWDZBQOSA-N 2 2 346.475 1.111 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C2)c1 ZINC000892610079 591094476 /nfs/dbraw/zinc/09/44/76/591094476.db2.gz ZJJLWLOUHJMCPS-NVXWUHKLSA-N 2 2 334.464 1.184 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])C2)c1 ZINC000892610079 591094479 /nfs/dbraw/zinc/09/44/79/591094479.db2.gz ZJJLWLOUHJMCPS-NVXWUHKLSA-N 2 2 334.464 1.184 20 0 EDADLP O=c1[nH]c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2[nH]1 ZINC000893909564 591134287 /nfs/dbraw/zinc/13/42/87/591134287.db2.gz QGASKTRXRLSIIU-UHFFFAOYSA-N 2 2 329.448 1.482 20 0 EDADLP Cc1[nH]nc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1C ZINC000893974955 591153049 /nfs/dbraw/zinc/15/30/49/591153049.db2.gz YVXLKYKTCIAHQG-UHFFFAOYSA-N 2 2 349.523 1.943 20 0 EDADLP Cc1ccnc(N)c1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000893980465 591154716 /nfs/dbraw/zinc/15/47/16/591154716.db2.gz MENDBFJTGNNJNR-CALCHBBNSA-N 2 2 331.508 1.963 20 0 EDADLP Cc1ccnc(N)c1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000893980465 591154722 /nfs/dbraw/zinc/15/47/22/591154722.db2.gz MENDBFJTGNNJNR-CALCHBBNSA-N 2 2 331.508 1.963 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]CCC2CC(O)C2)CC1 ZINC000894044501 591176920 /nfs/dbraw/zinc/17/69/20/591176920.db2.gz VLORWRFPENTKOR-UHFFFAOYSA-N 2 2 341.496 1.726 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892804018 591183509 /nfs/dbraw/zinc/18/35/09/591183509.db2.gz YVWDDIMZFYTDEB-SJORKVTESA-N 2 2 339.443 1.634 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000891728497 591201421 /nfs/dbraw/zinc/20/14/21/591201421.db2.gz DAWJQBFNIBFBMQ-VVBGDLBDSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000891728497 591201423 /nfs/dbraw/zinc/20/14/23/591201423.db2.gz DAWJQBFNIBFBMQ-VVBGDLBDSA-N 2 2 338.402 1.747 20 0 EDADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC000892855889 591205289 /nfs/dbraw/zinc/20/52/89/591205289.db2.gz CHBHSPDZGVYJBV-AWEZNQCLSA-N 2 2 344.459 1.571 20 0 EDADLP COCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000894265018 591255879 /nfs/dbraw/zinc/25/58/79/591255879.db2.gz QWCNXGXRXCBFKR-MRXNPFEDSA-N 2 2 338.448 1.849 20 0 EDADLP COCCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000894265018 591255883 /nfs/dbraw/zinc/25/58/83/591255883.db2.gz QWCNXGXRXCBFKR-MRXNPFEDSA-N 2 2 338.448 1.849 20 0 EDADLP O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000895772342 591270478 /nfs/dbraw/zinc/27/04/78/591270478.db2.gz DRQLFONCVQNEET-INIZCTEOSA-N 2 2 326.400 1.257 20 0 EDADLP Cc1cc(F)ncc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000896030092 591327185 /nfs/dbraw/zinc/32/71/85/591327185.db2.gz HYGNPMQUOPBSST-QGZVFWFLSA-N 2 2 336.455 1.415 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)sc1C ZINC000896030068 591327199 /nfs/dbraw/zinc/32/71/99/591327199.db2.gz HHJQKHUNKMSWCC-MRXNPFEDSA-N 2 2 338.521 1.646 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000898496792 591380132 /nfs/dbraw/zinc/38/01/32/591380132.db2.gz ZEVGGCXVONEIGH-QGZVFWFLSA-N 2 2 349.450 1.683 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccccc1C[NH+]1CCOCC1 ZINC000898496792 591380136 /nfs/dbraw/zinc/38/01/36/591380136.db2.gz ZEVGGCXVONEIGH-QGZVFWFLSA-N 2 2 349.450 1.683 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000894776893 591415003 /nfs/dbraw/zinc/41/50/03/591415003.db2.gz YZVRHVYNIQNUHJ-GOEBONIOSA-N 2 2 341.496 1.726 20 0 EDADLP Cc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000896326038 591420092 /nfs/dbraw/zinc/42/00/92/591420092.db2.gz VRACYVQUYGAELK-AWEZNQCLSA-N 2 2 336.505 1.587 20 0 EDADLP Cc1nc(C)c(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000896326038 591420094 /nfs/dbraw/zinc/42/00/94/591420094.db2.gz VRACYVQUYGAELK-AWEZNQCLSA-N 2 2 336.505 1.587 20 0 EDADLP Cc1[nH+]c2cc(NCc3c[nH+]c4n3CCC4)ccc2n1C(CO)CO ZINC000894920633 591475524 /nfs/dbraw/zinc/47/55/24/591475524.db2.gz YRYKGHVHLSPQFF-UHFFFAOYSA-N 2 2 341.415 1.625 20 0 EDADLP C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896530093 591485474 /nfs/dbraw/zinc/48/54/74/591485474.db2.gz HWWYHKHAKVXYPV-MAUKXSAKSA-N 2 2 341.459 1.165 20 0 EDADLP C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896530093 591485476 /nfs/dbraw/zinc/48/54/76/591485476.db2.gz HWWYHKHAKVXYPV-MAUKXSAKSA-N 2 2 341.459 1.165 20 0 EDADLP CO[C@@]1(C[NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)CCOC1 ZINC000898721792 591488804 /nfs/dbraw/zinc/48/88/04/591488804.db2.gz VOCJKAGRIVMIPW-ZWNOBZJWSA-N 2 2 330.226 1.356 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CC[NH+]1C ZINC000896536059 591500887 /nfs/dbraw/zinc/50/08/87/591500887.db2.gz USBCWQOMXGCLQN-JCHJZTRSSA-N 2 2 344.503 1.430 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CC[NH+]1C ZINC000896536059 591500889 /nfs/dbraw/zinc/50/08/89/591500889.db2.gz USBCWQOMXGCLQN-JCHJZTRSSA-N 2 2 344.503 1.430 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896536059 591500892 /nfs/dbraw/zinc/50/08/92/591500892.db2.gz USBCWQOMXGCLQN-JCHJZTRSSA-N 2 2 344.503 1.430 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1CN(C)CC[N@H+]1C ZINC000896536059 591500893 /nfs/dbraw/zinc/50/08/93/591500893.db2.gz USBCWQOMXGCLQN-JCHJZTRSSA-N 2 2 344.503 1.430 20 0 EDADLP CC[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000896622936 591557108 /nfs/dbraw/zinc/55/71/08/591557108.db2.gz WTXDGKVGGMWDHD-MRXNPFEDSA-N 2 2 341.496 1.104 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000896632877 591559590 /nfs/dbraw/zinc/55/95/90/591559590.db2.gz QWTYVEKJVINPGW-CVEARBPZSA-N 2 2 328.501 1.373 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C12CCC2 ZINC000898842941 591559667 /nfs/dbraw/zinc/55/96/67/591559667.db2.gz ZOIJGDVEOAEBLH-ZIAGYGMSSA-N 2 2 326.404 1.265 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[nH]n1 ZINC000896693914 591584298 /nfs/dbraw/zinc/58/42/98/591584298.db2.gz SRSDMGKZNBHLPS-PLTIAYLTSA-N 2 2 331.464 1.922 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[nH]n1 ZINC000896693914 591584301 /nfs/dbraw/zinc/58/43/01/591584301.db2.gz SRSDMGKZNBHLPS-PLTIAYLTSA-N 2 2 331.464 1.922 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[nH]n1 ZINC000896693914 591584303 /nfs/dbraw/zinc/58/43/03/591584303.db2.gz SRSDMGKZNBHLPS-PLTIAYLTSA-N 2 2 331.464 1.922 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[nH]n1 ZINC000896693914 591584307 /nfs/dbraw/zinc/58/43/07/591584307.db2.gz SRSDMGKZNBHLPS-PLTIAYLTSA-N 2 2 331.464 1.922 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)n[nH]1 ZINC000896693914 591584311 /nfs/dbraw/zinc/58/43/11/591584311.db2.gz SRSDMGKZNBHLPS-PLTIAYLTSA-N 2 2 331.464 1.922 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)n[nH]1 ZINC000896693914 591584314 /nfs/dbraw/zinc/58/43/14/591584314.db2.gz SRSDMGKZNBHLPS-PLTIAYLTSA-N 2 2 331.464 1.922 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n[nH]1 ZINC000896693914 591584318 /nfs/dbraw/zinc/58/43/18/591584318.db2.gz SRSDMGKZNBHLPS-PLTIAYLTSA-N 2 2 331.464 1.922 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n[nH]1 ZINC000896693914 591584322 /nfs/dbraw/zinc/58/43/22/591584322.db2.gz SRSDMGKZNBHLPS-PLTIAYLTSA-N 2 2 331.464 1.922 20 0 EDADLP CC(C)(CNC(=O)c1ccccc1C[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000898903656 591592192 /nfs/dbraw/zinc/59/21/92/591592192.db2.gz HBCCDHIPEPUATC-UHFFFAOYSA-N 2 2 342.443 1.880 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 ZINC000896839703 591628940 /nfs/dbraw/zinc/62/89/40/591628940.db2.gz CTFPVGSZEBBRDU-KRWDZBQOSA-N 2 2 344.459 1.003 20 0 EDADLP COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3c[nH+]c(N(C)C)n3C)C2)s1 ZINC000896971449 591700972 /nfs/dbraw/zinc/70/09/72/591700972.db2.gz SYSBPNXKNJYPAA-LLVKDONJSA-N 2 2 349.460 1.719 20 0 EDADLP COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3c[nH+]c(N(C)C)n3C)C2)s1 ZINC000896971449 591700977 /nfs/dbraw/zinc/70/09/77/591700977.db2.gz SYSBPNXKNJYPAA-LLVKDONJSA-N 2 2 349.460 1.719 20 0 EDADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000899184832 591723898 /nfs/dbraw/zinc/72/38/98/591723898.db2.gz SHPPLXUMENZSNY-IRXDYDNUSA-N 2 2 342.443 1.113 20 0 EDADLP CN1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)Cc2ccc[nH+]c21 ZINC000899187308 591724967 /nfs/dbraw/zinc/72/49/67/591724967.db2.gz SDRFMEQIMFMSBD-INIZCTEOSA-N 2 2 340.431 1.664 20 0 EDADLP CN1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)Cc2ccc[nH+]c21 ZINC000899187308 591724971 /nfs/dbraw/zinc/72/49/71/591724971.db2.gz SDRFMEQIMFMSBD-INIZCTEOSA-N 2 2 340.431 1.664 20 0 EDADLP CCO[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C[NH+](C)C ZINC000899261130 591753256 /nfs/dbraw/zinc/75/32/56/591753256.db2.gz AFPUPJSVNPXADW-CQSZACIVSA-N 3 2 341.419 1.589 20 0 EDADLP Cc1cn2ccc(C(=O)N[C@H]3C[C@@H]([NH+]4CCOCC4)C3(C)C)cc2[nH+]1 ZINC000898207744 591817993 /nfs/dbraw/zinc/81/79/93/591817993.db2.gz QRIJUZTUDLRTEN-JKSUJKDBSA-N 2 2 342.443 1.872 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000898285515 591853378 /nfs/dbraw/zinc/85/33/78/591853378.db2.gz YJFRNZWSPIRSMD-UHFFFAOYSA-N 2 2 348.472 1.833 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000898333040 591874664 /nfs/dbraw/zinc/87/46/64/591874664.db2.gz QZSAUHHPBPIBIU-NVXWUHKLSA-N 2 2 342.443 1.592 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@H+]1Cc1ccccc1 ZINC000898333040 591874667 /nfs/dbraw/zinc/87/46/67/591874667.db2.gz QZSAUHHPBPIBIU-NVXWUHKLSA-N 2 2 342.443 1.592 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186693 591935340 /nfs/dbraw/zinc/93/53/40/591935340.db2.gz WHSUWDIHIRARKX-QJUXXTNESA-N 2 2 343.471 1.557 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186693 591935342 /nfs/dbraw/zinc/93/53/42/591935342.db2.gz WHSUWDIHIRARKX-QJUXXTNESA-N 2 2 343.471 1.557 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186693 591935345 /nfs/dbraw/zinc/93/53/45/591935345.db2.gz WHSUWDIHIRARKX-QJUXXTNESA-N 2 2 343.471 1.557 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186693 591935347 /nfs/dbraw/zinc/93/53/47/591935347.db2.gz WHSUWDIHIRARKX-QJUXXTNESA-N 2 2 343.471 1.557 20 0 EDADLP C/C(=C/C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)C[NH+]1CCOCC1 ZINC000900340875 591989687 /nfs/dbraw/zinc/98/96/87/591989687.db2.gz XAKFBMUVZFSLSK-QZFKAFNDSA-N 2 2 334.464 1.693 20 0 EDADLP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cn(C)nn1 ZINC000902720298 592052092 /nfs/dbraw/zinc/05/20/92/592052092.db2.gz FSXZKGYIMVJYKP-DZGCQCFKSA-N 2 2 334.493 1.516 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3ccnn3CC[NH+](C)C)[nH+]c12 ZINC000900629899 592076306 /nfs/dbraw/zinc/07/63/06/592076306.db2.gz NNVIKAHZMPKQBG-UHFFFAOYSA-N 2 2 326.404 1.331 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900657744 592083558 /nfs/dbraw/zinc/08/35/58/592083558.db2.gz ADJHWGAWWZGHSW-IAGOWNOFSA-N 2 2 345.491 1.564 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900657744 592083561 /nfs/dbraw/zinc/08/35/61/592083561.db2.gz ADJHWGAWWZGHSW-IAGOWNOFSA-N 2 2 345.491 1.564 20 0 EDADLP CCc1nnc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000900691907 592096423 /nfs/dbraw/zinc/09/64/23/592096423.db2.gz CXSHJWHKQCGPNW-UHFFFAOYSA-N 2 2 325.482 1.199 20 0 EDADLP CCc1nnc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000900691907 592096424 /nfs/dbraw/zinc/09/64/24/592096424.db2.gz CXSHJWHKQCGPNW-UHFFFAOYSA-N 2 2 325.482 1.199 20 0 EDADLP C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693406 592096930 /nfs/dbraw/zinc/09/69/30/592096930.db2.gz RNFFVUUKYRVZOV-RHSMWYFYSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693406 592096933 /nfs/dbraw/zinc/09/69/33/592096933.db2.gz RNFFVUUKYRVZOV-RHSMWYFYSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693406 592096934 /nfs/dbraw/zinc/09/69/34/592096934.db2.gz RNFFVUUKYRVZOV-RHSMWYFYSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693406 592096937 /nfs/dbraw/zinc/09/69/37/592096937.db2.gz RNFFVUUKYRVZOV-RHSMWYFYSA-N 2 2 347.507 1.560 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@H+](C[C@H](O)c2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000900744111 592115150 /nfs/dbraw/zinc/11/51/50/592115150.db2.gz JHEBLZOGUFRPRO-SZMVWBNQSA-N 2 2 333.476 1.593 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@@H+](C[C@H](O)c2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000900744111 592115153 /nfs/dbraw/zinc/11/51/53/592115153.db2.gz JHEBLZOGUFRPRO-SZMVWBNQSA-N 2 2 333.476 1.593 20 0 EDADLP CN1CCOC[C@]1(CO)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000903277692 592150019 /nfs/dbraw/zinc/15/00/19/592150019.db2.gz ISDSCCIETBZVFA-UYAOXDASSA-N 2 2 347.503 1.322 20 0 EDADLP CN1CCOC[C@]1(CO)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000903277692 592150021 /nfs/dbraw/zinc/15/00/21/592150021.db2.gz ISDSCCIETBZVFA-UYAOXDASSA-N 2 2 347.503 1.322 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903300759 592153151 /nfs/dbraw/zinc/15/31/51/592153151.db2.gz JRIXHBCDNRRAIZ-ZENOOKHLSA-N 2 2 325.478 1.680 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903300759 592153153 /nfs/dbraw/zinc/15/31/53/592153153.db2.gz JRIXHBCDNRRAIZ-ZENOOKHLSA-N 2 2 325.478 1.680 20 0 EDADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883781 592156326 /nfs/dbraw/zinc/15/63/26/592156326.db2.gz SULQLIBHCLLFSJ-OWQGQXMQSA-N 2 2 328.416 1.505 20 0 EDADLP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883781 592156328 /nfs/dbraw/zinc/15/63/28/592156328.db2.gz SULQLIBHCLLFSJ-OWQGQXMQSA-N 2 2 328.416 1.505 20 0 EDADLP C[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)C1CCS(=O)(=O)CC1 ZINC000903381832 592163833 /nfs/dbraw/zinc/16/38/33/592163833.db2.gz ZGLOCNLOHHFXBP-WMLDXEAASA-N 2 2 339.505 1.877 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903468405 592174634 /nfs/dbraw/zinc/17/46/34/592174634.db2.gz KJYGPCZMUAIMQB-OAHLLOKOSA-N 2 2 337.851 1.839 20 0 EDADLP Brc1c[nH+]c2n1C[C@H]([NH2+][C@@H]1CCO[C@]13CCOC3)CC2 ZINC000903478827 592176142 /nfs/dbraw/zinc/17/61/42/592176142.db2.gz HYNBIFKWTUGCAL-GYSYKLTISA-N 2 2 342.237 1.498 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903484042 592177386 /nfs/dbraw/zinc/17/73/86/592177386.db2.gz OLMMNIIYVWTPAC-INIZCTEOSA-N 2 2 337.489 1.701 20 0 EDADLP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000906651565 592234941 /nfs/dbraw/zinc/23/49/41/592234941.db2.gz RTICGBVOPCLUIS-UHFFFAOYSA-N 2 2 327.388 1.058 20 0 EDADLP CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906656490 592239064 /nfs/dbraw/zinc/23/90/64/592239064.db2.gz SPWWWPPDGSXHRR-KURKYZTESA-N 2 2 335.492 1.428 20 0 EDADLP CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906656490 592239069 /nfs/dbraw/zinc/23/90/69/592239069.db2.gz SPWWWPPDGSXHRR-KURKYZTESA-N 2 2 335.492 1.428 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469009 592267627 /nfs/dbraw/zinc/26/76/27/592267627.db2.gz HXIHMAMCTLBHLN-AEFFLSMTSA-N 2 2 340.475 1.913 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469009 592267629 /nfs/dbraw/zinc/26/76/29/592267629.db2.gz HXIHMAMCTLBHLN-AEFFLSMTSA-N 2 2 340.475 1.913 20 0 EDADLP [NH3+]C[C@H]1C[C@H](c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)CO1 ZINC000904558519 592278950 /nfs/dbraw/zinc/27/89/50/592278950.db2.gz PYKLABXAXKUCEI-LSDHHAIUSA-N 2 2 325.372 1.813 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CCS(=O)(=O)c1nc2ccccc2s1)C1CC1 ZINC000903717274 592279533 /nfs/dbraw/zinc/27/95/33/592279533.db2.gz MFEHWOFXWFILHS-HNNXBMFYSA-N 2 2 339.486 1.787 20 0 EDADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903745753 592292124 /nfs/dbraw/zinc/29/21/24/592292124.db2.gz QDKSXETVKRECIE-FXUDXRNXSA-N 2 2 337.489 1.667 20 0 EDADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903745753 592292126 /nfs/dbraw/zinc/29/21/26/592292126.db2.gz QDKSXETVKRECIE-FXUDXRNXSA-N 2 2 337.489 1.667 20 0 EDADLP Cc1cccc([C@@H]2C(=O)NCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903766113 592309009 /nfs/dbraw/zinc/30/90/09/592309009.db2.gz OYIDFSREXXYOMJ-YQVWRLOYSA-N 2 2 329.444 1.237 20 0 EDADLP Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903766113 592309011 /nfs/dbraw/zinc/30/90/11/592309011.db2.gz OYIDFSREXXYOMJ-YQVWRLOYSA-N 2 2 329.444 1.237 20 0 EDADLP Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756798 592314064 /nfs/dbraw/zinc/31/40/64/592314064.db2.gz VXIZXKCMAVTPAM-WMZOPIPTSA-N 2 2 343.471 1.627 20 0 EDADLP Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903756798 592314068 /nfs/dbraw/zinc/31/40/68/592314068.db2.gz VXIZXKCMAVTPAM-WMZOPIPTSA-N 2 2 343.471 1.627 20 0 EDADLP CCOC(=O)c1cc2n(n1)C[C@H](C)[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903785515 592321909 /nfs/dbraw/zinc/32/19/09/592321909.db2.gz ZRIVFJYARXPBPO-JOQOYGCGSA-N 2 2 348.447 1.033 20 0 EDADLP CCOC(=O)c1cc2n(n1)C[C@H](C)[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903785515 592321912 /nfs/dbraw/zinc/32/19/12/592321912.db2.gz ZRIVFJYARXPBPO-JOQOYGCGSA-N 2 2 348.447 1.033 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccc3c(c1)OC(F)(F)O3)C2 ZINC000903849205 592345076 /nfs/dbraw/zinc/34/50/76/592345076.db2.gz ASMHFVYBMMLISY-NHCYSSNCSA-N 2 2 339.342 1.758 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccc3c(c1)OC(F)(F)O3)C2 ZINC000903849205 592345081 /nfs/dbraw/zinc/34/50/81/592345081.db2.gz ASMHFVYBMMLISY-NHCYSSNCSA-N 2 2 339.342 1.758 20 0 EDADLP C/C(=C\C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1)C[NH+]1CCOCC1 ZINC000908159159 592353602 /nfs/dbraw/zinc/35/36/02/592353602.db2.gz GDMMPRQKYVSGKX-NTCAYCPXSA-N 2 2 332.448 1.469 20 0 EDADLP O[C@@H]1C[C@H](c2ccc(F)cc2)[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903913331 592375985 /nfs/dbraw/zinc/37/59/85/592375985.db2.gz ONGATQJZVIEVKI-CGTJXYLNSA-N 2 2 345.422 1.650 20 0 EDADLP O[C@@H]1C[C@H](c2ccc(F)cc2)[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903913331 592375989 /nfs/dbraw/zinc/37/59/89/592375989.db2.gz ONGATQJZVIEVKI-CGTJXYLNSA-N 2 2 345.422 1.650 20 0 EDADLP [NH3+]Cc1nc2c(s1)CC[N@@H+](C1CCN(CC(F)(F)F)CC1)C2 ZINC000903942606 592392577 /nfs/dbraw/zinc/39/25/77/592392577.db2.gz RXDMAGLFLKXDJT-UHFFFAOYSA-N 2 2 334.411 1.987 20 0 EDADLP [NH3+]Cc1nc2c(s1)CC[N@H+](C1CCN(CC(F)(F)F)CC1)C2 ZINC000903942606 592392582 /nfs/dbraw/zinc/39/25/82/592392582.db2.gz RXDMAGLFLKXDJT-UHFFFAOYSA-N 2 2 334.411 1.987 20 0 EDADLP C[C@H]1c2c[nH]nc2CC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000906906019 592397046 /nfs/dbraw/zinc/39/70/46/592397046.db2.gz DZNHEFZRXFSULP-UKRRQHHQSA-N 2 2 333.480 1.218 20 0 EDADLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)C2(O)CCOCC2)[NH+]2CCCC2)cc1 ZINC000905074948 592403252 /nfs/dbraw/zinc/40/32/52/592403252.db2.gz GSRJMMFREDSDGJ-MOPGFXCFSA-N 2 2 348.487 1.624 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C2(C(=O)[O-])CC[NH+](Cc3ccccc3)CC2)n1C ZINC000904010887 592410829 /nfs/dbraw/zinc/41/08/29/592410829.db2.gz RLAYOKXWDFCTFN-UHFFFAOYSA-N 2 2 342.443 1.938 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000905160318 592426545 /nfs/dbraw/zinc/42/65/45/592426545.db2.gz RLBMIJGYMYEQCD-BVBHFADKSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000905160318 592426549 /nfs/dbraw/zinc/42/65/49/592426549.db2.gz RLBMIJGYMYEQCD-BVBHFADKSA-N 2 2 334.460 1.141 20 0 EDADLP O[C@@H](C[NH2+]CC[NH+]1CCC2(CCCCC2)CC1)C[C@]1(O)CCOC1 ZINC000905245387 592475322 /nfs/dbraw/zinc/47/53/22/592475322.db2.gz CVKWVISDYFZRMO-IEBWSBKVSA-N 2 2 340.508 1.525 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CCC1 ZINC000905274892 592489427 /nfs/dbraw/zinc/48/94/27/592489427.db2.gz UIEVIEAVUWKAMJ-GOSISDBHSA-N 2 2 348.487 1.533 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CCC1 ZINC000905274892 592489430 /nfs/dbraw/zinc/48/94/30/592489430.db2.gz UIEVIEAVUWKAMJ-GOSISDBHSA-N 2 2 348.487 1.533 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905619844 592587539 /nfs/dbraw/zinc/58/75/39/592587539.db2.gz AUSNSJPREDYRNQ-OALUTQOASA-N 2 2 348.487 1.886 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905619844 592587543 /nfs/dbraw/zinc/58/75/43/592587543.db2.gz AUSNSJPREDYRNQ-OALUTQOASA-N 2 2 348.487 1.886 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)COCc1ccccc1 ZINC000905617805 592595716 /nfs/dbraw/zinc/59/57/16/592595716.db2.gz FEBOZNWJRBRERY-OALUTQOASA-N 2 2 334.460 1.407 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)COCc1ccccc1 ZINC000905617805 592595719 /nfs/dbraw/zinc/59/57/19/592595719.db2.gz FEBOZNWJRBRERY-OALUTQOASA-N 2 2 334.460 1.407 20 0 EDADLP CN(c1cc(N2CCCC[C@H]2CO)[nH+]cn1)C1(C[NH3+])CCCCC1 ZINC000905657928 592599072 /nfs/dbraw/zinc/59/90/72/592599072.db2.gz QUNUDWOIOWDJPI-HNNXBMFYSA-N 2 2 333.480 1.926 20 0 EDADLP CC(C)C[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000909315765 592798667 /nfs/dbraw/zinc/79/86/67/592798667.db2.gz QHNJZSGKGPESDT-MRXNPFEDSA-N 2 2 349.479 1.189 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000910283992 592821249 /nfs/dbraw/zinc/82/12/49/592821249.db2.gz YNIRAKDMZSAGBH-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000910283992 592821252 /nfs/dbraw/zinc/82/12/52/592821252.db2.gz YNIRAKDMZSAGBH-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000910283992 592821253 /nfs/dbraw/zinc/82/12/53/592821253.db2.gz YNIRAKDMZSAGBH-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@H](C)C1 ZINC000910283992 592821256 /nfs/dbraw/zinc/82/12/56/592821256.db2.gz YNIRAKDMZSAGBH-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C23CCOCC3)C1 ZINC000911448728 592918899 /nfs/dbraw/zinc/91/88/99/592918899.db2.gz OKMRNOTWXQQZCI-OAHLLOKOSA-N 2 2 346.475 1.922 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C23CCOCC3)C1 ZINC000911448728 592918900 /nfs/dbraw/zinc/91/89/00/592918900.db2.gz OKMRNOTWXQQZCI-OAHLLOKOSA-N 2 2 346.475 1.922 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000730939705 592919552 /nfs/dbraw/zinc/91/95/52/592919552.db2.gz LEOJZRTVTLCZGA-INIZCTEOSA-N 2 2 348.472 1.719 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000730939705 592919553 /nfs/dbraw/zinc/91/95/53/592919553.db2.gz LEOJZRTVTLCZGA-INIZCTEOSA-N 2 2 348.472 1.719 20 0 EDADLP C[C@H](NC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000911717125 592987003 /nfs/dbraw/zinc/98/70/03/592987003.db2.gz BNGBCZCFLZFSKD-SDDRHHMPSA-N 2 2 332.370 1.960 20 0 EDADLP [NH3+][C@H](CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)C(F)F ZINC000911752863 592997887 /nfs/dbraw/zinc/99/78/87/592997887.db2.gz YIIIGFYRJZKSSA-ZYHUDNBSSA-N 2 2 341.358 1.516 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@H](Cc2ccccc2)C1 ZINC000911900460 593028500 /nfs/dbraw/zinc/02/85/00/593028500.db2.gz PAXDPGRJIOQOJL-RTBURBONSA-N 2 2 343.471 1.092 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1 ZINC000912374392 593091265 /nfs/dbraw/zinc/09/12/65/593091265.db2.gz NIYGAZBWEPQXQO-ICSRJNTNSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1 ZINC000912374392 593091266 /nfs/dbraw/zinc/09/12/66/593091266.db2.gz NIYGAZBWEPQXQO-ICSRJNTNSA-N 2 2 343.471 1.870 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000912532859 593103804 /nfs/dbraw/zinc/10/38/04/593103804.db2.gz HAECIIDZYYNBDL-HOCLYGCPSA-N 2 2 341.415 1.510 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000912532859 593103805 /nfs/dbraw/zinc/10/38/05/593103805.db2.gz HAECIIDZYYNBDL-HOCLYGCPSA-N 2 2 341.415 1.510 20 0 EDADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000912590327 593106862 /nfs/dbraw/zinc/10/68/62/593106862.db2.gz VRHTZAADLDNQID-UHFFFAOYSA-N 2 2 330.432 1.547 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)C1 ZINC000840116119 593199401 /nfs/dbraw/zinc/19/94/01/593199401.db2.gz MWWYYNNOGDZELK-CUGJGTHOSA-N 2 2 326.444 1.838 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)C1 ZINC000840116119 593199403 /nfs/dbraw/zinc/19/94/03/593199403.db2.gz MWWYYNNOGDZELK-CUGJGTHOSA-N 2 2 326.444 1.838 20 0 EDADLP COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000839677755 593369368 /nfs/dbraw/zinc/36/93/68/593369368.db2.gz WBPNPBWVWNWNPC-CQSZACIVSA-N 2 2 332.429 1.605 20 0 EDADLP COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000839677755 593369370 /nfs/dbraw/zinc/36/93/70/593369370.db2.gz WBPNPBWVWNWNPC-CQSZACIVSA-N 2 2 332.429 1.605 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000840029266 593392882 /nfs/dbraw/zinc/39/28/82/593392882.db2.gz RTPUGJUXDGEEIR-UWGWQUPMSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000840029266 593392884 /nfs/dbraw/zinc/39/28/84/593392884.db2.gz RTPUGJUXDGEEIR-UWGWQUPMSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000840029266 593392887 /nfs/dbraw/zinc/39/28/87/593392887.db2.gz RTPUGJUXDGEEIR-UWGWQUPMSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@H]21 ZINC000840029266 593392890 /nfs/dbraw/zinc/39/28/90/593392890.db2.gz RTPUGJUXDGEEIR-UWGWQUPMSA-N 2 2 345.487 1.781 20 0 EDADLP CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000758239178 593397952 /nfs/dbraw/zinc/39/79/52/593397952.db2.gz CPHAZHPFUVQWGC-SJCJKPOMSA-N 2 2 331.420 1.278 20 0 EDADLP CC[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000758239178 593397955 /nfs/dbraw/zinc/39/79/55/593397955.db2.gz CPHAZHPFUVQWGC-SJCJKPOMSA-N 2 2 331.420 1.278 20 0 EDADLP CC[C@H]1CC(=O)N(CN2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000817374837 593597833 /nfs/dbraw/zinc/59/78/33/593597833.db2.gz YZDPCKAGCMROJW-KRWDZBQOSA-N 2 2 336.524 1.694 20 0 EDADLP CC[C@H]1CC(=O)N(CN2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000817374837 593597835 /nfs/dbraw/zinc/59/78/35/593597835.db2.gz YZDPCKAGCMROJW-KRWDZBQOSA-N 2 2 336.524 1.694 20 0 EDADLP CC[C@H]1CC(=O)N(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000817374837 593597837 /nfs/dbraw/zinc/59/78/37/593597837.db2.gz YZDPCKAGCMROJW-KRWDZBQOSA-N 2 2 336.524 1.694 20 0 EDADLP CC[C@H]1CC(=O)N(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000817374837 593597839 /nfs/dbraw/zinc/59/78/39/593597839.db2.gz YZDPCKAGCMROJW-KRWDZBQOSA-N 2 2 336.524 1.694 20 0 EDADLP Cn1ncc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1Cl ZINC000815115445 593616373 /nfs/dbraw/zinc/61/63/73/593616373.db2.gz ZZZPFOMHCGGELD-UHFFFAOYSA-N 2 2 349.870 1.165 20 0 EDADLP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000817893810 593646251 /nfs/dbraw/zinc/64/62/51/593646251.db2.gz IBTKUZHAEJXTOI-SQNIBIBYSA-N 2 2 336.432 1.094 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000817906753 593647435 /nfs/dbraw/zinc/64/74/35/593647435.db2.gz FNPIFAIECRPHRF-DVOMOZLQSA-N 2 2 341.477 1.476 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817945991 593651117 /nfs/dbraw/zinc/65/11/17/593651117.db2.gz PLTSUBUZRUVZNN-SECBINFHSA-N 2 2 345.216 1.066 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000819057126 593736303 /nfs/dbraw/zinc/73/63/03/593736303.db2.gz RRJHHMVVVWJYNL-OPAMFIHVSA-N 2 2 326.506 1.616 20 0 EDADLP CN(c1ccc([NH2+]CCS(C)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000819417818 593753850 /nfs/dbraw/zinc/75/38/50/593753850.db2.gz MFSPJMYMOVRGLV-UHFFFAOYSA-N 2 2 325.478 1.674 20 0 EDADLP C[NH+]1CCN(CCOc2ccc(NC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000820394811 593815942 /nfs/dbraw/zinc/81/59/42/593815942.db2.gz HMPWMDSGXCCAEP-UHFFFAOYSA-N 2 2 346.475 1.347 20 0 EDADLP CN1CC[NH+](CCOc2ccc(NC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000820394811 593815943 /nfs/dbraw/zinc/81/59/43/593815943.db2.gz HMPWMDSGXCCAEP-UHFFFAOYSA-N 2 2 346.475 1.347 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821557398 593863973 /nfs/dbraw/zinc/86/39/73/593863973.db2.gz MVTQWJXDAXKFRC-IYBDPMFKSA-N 2 2 347.459 1.859 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821557398 593863975 /nfs/dbraw/zinc/86/39/75/593863975.db2.gz MVTQWJXDAXKFRC-IYBDPMFKSA-N 2 2 347.459 1.859 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC000821808594 593945039 /nfs/dbraw/zinc/94/50/39/593945039.db2.gz JEKVJELDHZBGIW-GFCCVEGCSA-N 2 2 327.392 1.498 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000824305702 593981361 /nfs/dbraw/zinc/98/13/61/593981361.db2.gz TVBUMTFYMXXHSN-UHFFFAOYSA-N 2 2 340.435 1.477 20 0 EDADLP Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c(N(C)C)[nH+]1 ZINC000822077826 593990469 /nfs/dbraw/zinc/99/04/69/593990469.db2.gz GALHDGHVZVRJAR-HNNXBMFYSA-N 2 2 347.463 1.831 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3noc(C[C@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000822951095 594127253 /nfs/dbraw/zinc/12/72/53/594127253.db2.gz KFGDDAGLQOYXSA-CVEARBPZSA-N 2 2 328.416 1.795 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3noc(C[C@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000822951095 594127254 /nfs/dbraw/zinc/12/72/54/594127254.db2.gz KFGDDAGLQOYXSA-CVEARBPZSA-N 2 2 328.416 1.795 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)Cc3ccc[nH+]c3N2C1 ZINC000825258017 594157239 /nfs/dbraw/zinc/15/72/39/594157239.db2.gz IBFFHNIJEPILBX-JKSUJKDBSA-N 2 2 344.459 1.359 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000825525658 594197382 /nfs/dbraw/zinc/19/73/82/594197382.db2.gz AHBHVNKZZOHUAC-AWEZNQCLSA-N 2 2 332.404 1.462 20 0 EDADLP O=C(N1C[C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C[C@@H]2C1)C(F)(F)F ZINC000826064047 594322390 /nfs/dbraw/zinc/32/23/90/594322390.db2.gz CQVPIOKLLJBXRN-NWDGAFQWSA-N 2 2 342.365 1.672 20 0 EDADLP O=C(N1C[C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C[C@@H]2C1)C(F)(F)F ZINC000826064047 594322393 /nfs/dbraw/zinc/32/23/93/594322393.db2.gz CQVPIOKLLJBXRN-NWDGAFQWSA-N 2 2 342.365 1.672 20 0 EDADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)n1C ZINC000826065081 594322988 /nfs/dbraw/zinc/32/29/88/594322988.db2.gz UFBCLSZFILPZPS-NEPJUHHUSA-N 2 2 330.354 1.571 20 0 EDADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)n1C ZINC000826065081 594322989 /nfs/dbraw/zinc/32/29/89/594322989.db2.gz UFBCLSZFILPZPS-NEPJUHHUSA-N 2 2 330.354 1.571 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826364668 594446288 /nfs/dbraw/zinc/44/62/88/594446288.db2.gz FWOUGXMSJRBDGL-UHFFFAOYSA-N 2 2 342.382 1.062 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826515108 594513181 /nfs/dbraw/zinc/51/31/81/594513181.db2.gz NFHLCECEIYEJRC-DOMZBBRYSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000826515108 594513182 /nfs/dbraw/zinc/51/31/82/594513182.db2.gz NFHLCECEIYEJRC-DOMZBBRYSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000826515108 594513183 /nfs/dbraw/zinc/51/31/83/594513183.db2.gz NFHLCECEIYEJRC-DOMZBBRYSA-N 2 2 328.420 1.908 20 0 EDADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000826515108 594513184 /nfs/dbraw/zinc/51/31/84/594513184.db2.gz NFHLCECEIYEJRC-DOMZBBRYSA-N 2 2 328.420 1.908 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831263673 594594656 /nfs/dbraw/zinc/59/46/56/594594656.db2.gz NJOWDNBVKQAALE-MRXNPFEDSA-N 2 2 333.480 1.989 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2C1 ZINC000829406527 594608987 /nfs/dbraw/zinc/60/89/87/594608987.db2.gz SUAHAXPSWSMKDE-AWEZNQCLSA-N 2 2 349.504 1.485 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)cc2C1 ZINC000829406527 594608989 /nfs/dbraw/zinc/60/89/89/594608989.db2.gz SUAHAXPSWSMKDE-AWEZNQCLSA-N 2 2 349.504 1.485 20 0 EDADLP CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1(C)C ZINC000831339453 594610562 /nfs/dbraw/zinc/61/05/62/594610562.db2.gz RUTBXKGQQJHZSF-HZPDHXFCSA-N 2 2 335.448 1.327 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)n1C ZINC000827061787 594632799 /nfs/dbraw/zinc/63/27/99/594632799.db2.gz SSVLBMASFNWRBN-CYBMUJFWSA-N 2 2 336.436 1.597 20 0 EDADLP C[C@@H]1Cc2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)ccc2O1 ZINC000827414273 594669750 /nfs/dbraw/zinc/66/97/50/594669750.db2.gz RRTVJFVBCMGDIJ-RHSMWYFYSA-N 2 2 343.471 1.908 20 0 EDADLP C[C@@H]1Cc2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)ccc2O1 ZINC000827414273 594669751 /nfs/dbraw/zinc/66/97/51/594669751.db2.gz RRTVJFVBCMGDIJ-RHSMWYFYSA-N 2 2 343.471 1.908 20 0 EDADLP C[C@@H](C(=O)N1CCC(N2CC[NH+](C)CC2)CC1)[NH+]1CCCCCC1 ZINC000827455526 594673867 /nfs/dbraw/zinc/67/38/67/594673867.db2.gz CMVFRWYOYBNQQS-KRWDZBQOSA-N 2 2 336.524 1.489 20 0 EDADLP Cc1ccc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)c(N(C)C)[nH+]1 ZINC000841676811 594934554 /nfs/dbraw/zinc/93/45/54/594934554.db2.gz ZJGYTIPSKLFIFE-UHFFFAOYSA-N 2 2 335.452 1.688 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)cn1 ZINC000841722901 594943648 /nfs/dbraw/zinc/94/36/48/594943648.db2.gz QYMAAGGSAKACCA-KRWDZBQOSA-N 2 2 346.410 1.419 20 0 EDADLP Cn1c[nH+]c(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000842217665 595042353 /nfs/dbraw/zinc/04/23/53/595042353.db2.gz ZUJAVAVNCOZDIN-UHFFFAOYSA-N 2 2 327.432 1.858 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843365746 595089052 /nfs/dbraw/zinc/08/90/52/595089052.db2.gz QFQXYEWVKXLPGO-CABCVRRESA-N 2 2 346.475 1.680 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843365746 595089055 /nfs/dbraw/zinc/08/90/55/595089055.db2.gz QFQXYEWVKXLPGO-CABCVRRESA-N 2 2 346.475 1.680 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)C[NH+]1CCCCC1 ZINC000843061957 595277179 /nfs/dbraw/zinc/27/71/79/595277179.db2.gz JQPGNHSOEORUFI-CZUORRHYSA-N 2 2 330.831 1.949 20 0 EDADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000843064134 595278553 /nfs/dbraw/zinc/27/85/53/595278553.db2.gz WCAWWCYMDUTFPP-GXFFZTMASA-N 2 2 335.217 1.134 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](O)c3cnn(C)c3)c2cc1C ZINC000843094493 595286339 /nfs/dbraw/zinc/28/63/39/595286339.db2.gz UKIRAWJFHJQJKH-QAPCUYQASA-N 2 2 343.431 1.071 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000844167564 595289464 /nfs/dbraw/zinc/28/94/64/595289464.db2.gz CMPHKLMYVTYHNS-JKSUJKDBSA-N 2 2 325.416 1.519 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)n2)CC12CCOCC2 ZINC000843125644 595293231 /nfs/dbraw/zinc/29/32/31/595293231.db2.gz ZZFKGLHAAKUUBY-HNNXBMFYSA-N 2 2 327.432 1.455 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)n2)CC12CCOCC2 ZINC000843125644 595293232 /nfs/dbraw/zinc/29/32/32/595293232.db2.gz ZZFKGLHAAKUUBY-HNNXBMFYSA-N 2 2 327.432 1.455 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000844188112 595297009 /nfs/dbraw/zinc/29/70/09/595297009.db2.gz PQAKACZUNLLNIV-INIZCTEOSA-N 2 2 337.414 1.889 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000844188112 595297010 /nfs/dbraw/zinc/29/70/10/595297010.db2.gz PQAKACZUNLLNIV-INIZCTEOSA-N 2 2 337.414 1.889 20 0 EDADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccc(N2CCOC2=O)c1 ZINC000846670409 595297160 /nfs/dbraw/zinc/29/71/60/595297160.db2.gz ZMENGQACRAIPKN-DOMZBBRYSA-N 2 2 334.420 1.099 20 0 EDADLP COc1ccccc1[C@H](NC(=O)CC(F)(F)C[NH3+])c1[nH+]ccn1C ZINC000846672013 595297536 /nfs/dbraw/zinc/29/75/36/595297536.db2.gz ACXINQBEAWABJR-AWEZNQCLSA-N 2 2 338.358 1.618 20 0 EDADLP Cc1ccc(N(C)[C@@H]2CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2)cc1 ZINC000846681429 595300935 /nfs/dbraw/zinc/30/09/35/595300935.db2.gz HKCBWJHAXUCXKN-QZTJIDSGSA-N 2 2 332.492 1.701 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000844225485 595309022 /nfs/dbraw/zinc/30/90/22/595309022.db2.gz BLWLJOLLMUBNRM-QAPCUYQASA-N 2 2 346.475 1.663 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000844225485 595309025 /nfs/dbraw/zinc/30/90/25/595309025.db2.gz BLWLJOLLMUBNRM-QAPCUYQASA-N 2 2 346.475 1.663 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000844225483 595309354 /nfs/dbraw/zinc/30/93/54/595309354.db2.gz BLWLJOLLMUBNRM-CRAIPNDOSA-N 2 2 346.475 1.663 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000844225483 595309355 /nfs/dbraw/zinc/30/93/55/595309355.db2.gz BLWLJOLLMUBNRM-CRAIPNDOSA-N 2 2 346.475 1.663 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000846820267 595321471 /nfs/dbraw/zinc/32/14/71/595321471.db2.gz IPKCJCZPICURDV-IPMKNSEASA-N 2 2 336.476 1.514 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000846820267 595321473 /nfs/dbraw/zinc/32/14/73/595321473.db2.gz IPKCJCZPICURDV-IPMKNSEASA-N 2 2 336.476 1.514 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000846820267 595321475 /nfs/dbraw/zinc/32/14/75/595321475.db2.gz IPKCJCZPICURDV-IPMKNSEASA-N 2 2 336.476 1.514 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000846820267 595321477 /nfs/dbraw/zinc/32/14/77/595321477.db2.gz IPKCJCZPICURDV-IPMKNSEASA-N 2 2 336.476 1.514 20 0 EDADLP CCN1C[C@@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)OC1=O ZINC000846839967 595325029 /nfs/dbraw/zinc/32/50/29/595325029.db2.gz WHRCEABRZWKYCD-FCLJQHQZSA-N 2 2 336.480 1.070 20 0 EDADLP CCN1C[C@@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)OC1=O ZINC000846839967 595325032 /nfs/dbraw/zinc/32/50/32/595325032.db2.gz WHRCEABRZWKYCD-FCLJQHQZSA-N 2 2 336.480 1.070 20 0 EDADLP CCN1C[C@@H](CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)OC1=O ZINC000846839967 595325035 /nfs/dbraw/zinc/32/50/35/595325035.db2.gz WHRCEABRZWKYCD-FCLJQHQZSA-N 2 2 336.480 1.070 20 0 EDADLP CCN1C[C@@H](CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)OC1=O ZINC000846839967 595325036 /nfs/dbraw/zinc/32/50/36/595325036.db2.gz WHRCEABRZWKYCD-FCLJQHQZSA-N 2 2 336.480 1.070 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)NCc1ccccc1 ZINC000848526530 595402518 /nfs/dbraw/zinc/40/25/18/595402518.db2.gz AQXWGPYDGOONCF-GOSISDBHSA-N 2 2 331.460 1.536 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H]4[C@@H](C3)C4(F)F)C2)CC1 ZINC000844982708 595423275 /nfs/dbraw/zinc/42/32/75/595423275.db2.gz DADIFLWKYXHUQR-FPMFFAJLSA-N 2 2 328.407 1.061 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H]4[C@@H](C3)C4(F)F)C2)CC1 ZINC000844982708 595423276 /nfs/dbraw/zinc/42/32/76/595423276.db2.gz DADIFLWKYXHUQR-FPMFFAJLSA-N 2 2 328.407 1.061 20 0 EDADLP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000849014954 595474884 /nfs/dbraw/zinc/47/48/84/595474884.db2.gz UVVOEIFYYBRFSZ-OAHLLOKOSA-N 2 2 334.464 1.810 20 0 EDADLP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCC[NH+]1Cc2ccccc2C1 ZINC000849111162 595483650 /nfs/dbraw/zinc/48/36/50/595483650.db2.gz JDOKYNLMSZLEQZ-UHFFFAOYSA-N 2 2 347.463 1.641 20 0 EDADLP [NH2+]=C(NCCc1ccccc1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849116741 595484610 /nfs/dbraw/zinc/48/46/10/595484610.db2.gz VZGDUUWJOGRNLD-UHFFFAOYSA-N 2 2 346.475 1.224 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=S)NCC(C)(C)C[NH+](C)C)[C@@H](C)CO1 ZINC000849280671 595500314 /nfs/dbraw/zinc/50/03/14/595500314.db2.gz FOYIKIREVSSXCH-UONOGXRCSA-N 2 2 330.542 1.148 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=S)NCC(C)(C)C[NH+](C)C)[C@@H](C)CO1 ZINC000849280671 595500315 /nfs/dbraw/zinc/50/03/15/595500315.db2.gz FOYIKIREVSSXCH-UONOGXRCSA-N 2 2 330.542 1.148 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000849327800 595506706 /nfs/dbraw/zinc/50/67/06/595506706.db2.gz SISUKXIIQJYINI-GDBMZVCRSA-N 2 2 340.489 1.586 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000849327800 595506707 /nfs/dbraw/zinc/50/67/07/595506707.db2.gz SISUKXIIQJYINI-GDBMZVCRSA-N 2 2 340.489 1.586 20 0 EDADLP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccn3cc[nH+]c3c2)cn1 ZINC000849585039 595581215 /nfs/dbraw/zinc/58/12/15/595581215.db2.gz IHBDGTPUOXEVAY-HZPDHXFCSA-N 2 2 338.415 1.742 20 0 EDADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccn3cc[nH+]c3c2)cn1 ZINC000849585039 595581218 /nfs/dbraw/zinc/58/12/18/595581218.db2.gz IHBDGTPUOXEVAY-HZPDHXFCSA-N 2 2 338.415 1.742 20 0 EDADLP C[NH+](C)Cc1ccc(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1F ZINC000852869485 595589754 /nfs/dbraw/zinc/58/97/54/595589754.db2.gz GDMPABLBDWGSSB-NSHDSACASA-N 2 2 331.395 1.940 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000860195164 595609006 /nfs/dbraw/zinc/60/90/06/595609006.db2.gz QDUKAUFCBKWWAE-HNNXBMFYSA-N 2 2 349.460 1.029 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000860195164 595609009 /nfs/dbraw/zinc/60/90/09/595609009.db2.gz QDUKAUFCBKWWAE-HNNXBMFYSA-N 2 2 349.460 1.029 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(=O)c2ccccc2o1 ZINC000855345643 595680194 /nfs/dbraw/zinc/68/01/94/595680194.db2.gz DVEUDPOGWIAWHJ-AWEZNQCLSA-N 2 2 345.443 1.795 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(=O)c2ccccc2o1 ZINC000855345643 595680196 /nfs/dbraw/zinc/68/01/96/595680196.db2.gz DVEUDPOGWIAWHJ-AWEZNQCLSA-N 2 2 345.443 1.795 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn(C)nc2Br)C[C@@H](C)O1 ZINC000858090273 595697613 /nfs/dbraw/zinc/69/76/13/595697613.db2.gz KFJDZVMLCACHSY-VXGBXAGGSA-N 2 2 345.285 1.772 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858032753 595687766 /nfs/dbraw/zinc/68/77/66/595687766.db2.gz NALIMHBTYBJHOY-DLBZAZTESA-N 2 2 346.475 1.396 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858032753 595687767 /nfs/dbraw/zinc/68/77/67/595687767.db2.gz NALIMHBTYBJHOY-DLBZAZTESA-N 2 2 346.475 1.396 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1COc2ccccc2C1 ZINC000853249780 595719337 /nfs/dbraw/zinc/71/93/37/595719337.db2.gz IOELHHRJZFFULD-MRXNPFEDSA-N 2 2 348.491 1.420 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1COc2ccccc2C1 ZINC000853249780 595719339 /nfs/dbraw/zinc/71/93/39/595719339.db2.gz IOELHHRJZFFULD-MRXNPFEDSA-N 2 2 348.491 1.420 20 0 EDADLP CON(C)C(=O)[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000858320214 595763453 /nfs/dbraw/zinc/76/34/53/595763453.db2.gz ZGEOPSQOXPEHMK-AWEZNQCLSA-N 2 2 334.464 1.719 20 0 EDADLP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)C1 ZINC000858328376 595765948 /nfs/dbraw/zinc/76/59/48/595765948.db2.gz KXVYMVKRWCYNBN-HOTGVXAUSA-N 2 2 346.475 1.200 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000850385460 595824861 /nfs/dbraw/zinc/82/48/61/595824861.db2.gz HFKBQACBTISRTL-RBSFLKMASA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000850385460 595824862 /nfs/dbraw/zinc/82/48/62/595824862.db2.gz HFKBQACBTISRTL-RBSFLKMASA-N 2 2 339.480 1.695 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N(C)CCC[NH3+])c1[nH+]ccn1C ZINC000851655659 595869515 /nfs/dbraw/zinc/86/95/15/595869515.db2.gz ZEMYJHMUIWMKGT-HNNXBMFYSA-N 2 2 331.420 1.508 20 0 EDADLP C[C@H](CCNc1[nH+]cnc2c1c(Br)nn2C)[NH+](C)C ZINC000853798729 595883798 /nfs/dbraw/zinc/88/37/98/595883798.db2.gz JNKWVTBRLVYPPR-MRVPVSSYSA-N 2 2 327.230 1.878 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C)c2[nH+]ccn2C)cn1 ZINC000851976859 595993783 /nfs/dbraw/zinc/99/37/83/595993783.db2.gz LPQRNJLYCGTZJC-LBPRGKRZSA-N 2 2 339.403 1.870 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000852045289 596021534 /nfs/dbraw/zinc/02/15/34/596021534.db2.gz VHKLIMJQCZOTIW-SFHVURJKSA-N 2 2 337.464 1.174 20 0 EDADLP Cc1ccc2nc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000859337551 596055405 /nfs/dbraw/zinc/05/54/05/596055405.db2.gz LKSKKLGRGJCYRZ-OAHLLOKOSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1ccc2nc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000859337551 596055409 /nfs/dbraw/zinc/05/54/09/596055409.db2.gz LKSKKLGRGJCYRZ-OAHLLOKOSA-N 2 2 341.459 1.541 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000854498625 596099158 /nfs/dbraw/zinc/09/91/58/596099158.db2.gz ICTCKWFEGJTJFM-KRWDZBQOSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000854498625 596099162 /nfs/dbraw/zinc/09/91/62/596099162.db2.gz ICTCKWFEGJTJFM-KRWDZBQOSA-N 2 2 326.444 1.991 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000859831027 596204510 /nfs/dbraw/zinc/20/45/10/596204510.db2.gz KXACDEDTJKCTJI-MRXNPFEDSA-N 2 2 328.460 1.747 20 0 EDADLP CO[C@H]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)Cc3ccc[nH+]c3N2C1 ZINC000870537574 596275881 /nfs/dbraw/zinc/27/58/81/596275881.db2.gz LNQIYSYBHMYRST-YESZJQIVSA-N 2 2 346.475 1.604 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)/C=C\C[NH+]3CCOCC3)sc2C1 ZINC000864617796 596286078 /nfs/dbraw/zinc/28/60/78/596286078.db2.gz SBVBALQYXRFVMY-ARJAWSKDSA-N 2 2 336.461 1.348 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)/C=C\C[NH+]3CCOCC3)sc2C1 ZINC000864617796 596286081 /nfs/dbraw/zinc/28/60/81/596286081.db2.gz SBVBALQYXRFVMY-ARJAWSKDSA-N 2 2 336.461 1.348 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc[nH+]c3N3CCCC3)CC[C@H]21 ZINC000868765405 596299083 /nfs/dbraw/zinc/29/90/83/596299083.db2.gz TZRFFQGBUHQVEW-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc[nH+]c3N3CCCC3)CC[C@H]21 ZINC000868765405 596299084 /nfs/dbraw/zinc/29/90/84/596299084.db2.gz TZRFFQGBUHQVEW-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000866711558 596304750 /nfs/dbraw/zinc/30/47/50/596304750.db2.gz MHYGPYHEWQYUBN-BNOWGMLFSA-N 2 2 339.798 1.846 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000866711558 596304753 /nfs/dbraw/zinc/30/47/53/596304753.db2.gz MHYGPYHEWQYUBN-BNOWGMLFSA-N 2 2 339.798 1.846 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCn3cccn3)c2)CC1 ZINC000870667590 596316141 /nfs/dbraw/zinc/31/61/41/596316141.db2.gz GTCAHRTXXHWXFI-UHFFFAOYSA-N 2 2 328.420 1.449 20 0 EDADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000862550668 596344439 /nfs/dbraw/zinc/34/44/39/596344439.db2.gz GPZOEJFGUOYUMO-STQMWFEESA-N 2 2 349.422 1.287 20 0 EDADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000862550668 596344442 /nfs/dbraw/zinc/34/44/42/596344442.db2.gz GPZOEJFGUOYUMO-STQMWFEESA-N 2 2 349.422 1.287 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000870854645 596378698 /nfs/dbraw/zinc/37/86/98/596378698.db2.gz QGFRCTZBBDROFQ-CSLYMUCUSA-N 2 2 349.500 1.770 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+](CC(F)F)C1)CCO2 ZINC000869114111 596415643 /nfs/dbraw/zinc/41/56/43/596415643.db2.gz BPVPAHPDFVFESC-AWEZNQCLSA-N 2 2 345.434 1.287 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)CCO2 ZINC000869114111 596415645 /nfs/dbraw/zinc/41/56/45/596415645.db2.gz BPVPAHPDFVFESC-AWEZNQCLSA-N 2 2 345.434 1.287 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000870977655 596424617 /nfs/dbraw/zinc/42/46/17/596424617.db2.gz JLMHFKACAQMNDG-HKUYNNGSSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[C@H]3CC[NH2+]C3)C2)c1 ZINC000870977655 596424620 /nfs/dbraw/zinc/42/46/20/596424620.db2.gz JLMHFKACAQMNDG-HKUYNNGSSA-N 2 2 345.487 1.702 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865040829 596453577 /nfs/dbraw/zinc/45/35/77/596453577.db2.gz AESHAZNWBDBCIY-HNNXBMFYSA-N 2 2 338.358 1.312 20 0 EDADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000865105266 596476885 /nfs/dbraw/zinc/47/68/85/596476885.db2.gz VVMIXSTVWKCKBK-SFHVURJKSA-N 2 2 342.443 1.610 20 0 EDADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000865105266 596476889 /nfs/dbraw/zinc/47/68/89/596476889.db2.gz VVMIXSTVWKCKBK-SFHVURJKSA-N 2 2 342.443 1.610 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000865414956 596566963 /nfs/dbraw/zinc/56/69/63/596566963.db2.gz DZKWSSLKFKLOMO-JFIYKMOQSA-N 2 2 335.496 1.915 20 0 EDADLP C[NH+]1CCN(CCNc2cc(NCc3ccccc3)[nH+]cn2)CC1 ZINC000865422605 596569270 /nfs/dbraw/zinc/56/92/70/596569270.db2.gz YFMFEYROQZCFOT-UHFFFAOYSA-N 2 2 326.448 1.748 20 0 EDADLP C[C@H](O)c1ccc(NCc2cccnc2N2CC[NH+](C)CC2)[nH+]c1 ZINC000865471892 596584413 /nfs/dbraw/zinc/58/44/13/596584413.db2.gz VYFBBUKTKWTYGR-AWEZNQCLSA-N 2 2 327.432 1.894 20 0 EDADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1SC(F)F ZINC000863555894 596617785 /nfs/dbraw/zinc/61/77/85/596617785.db2.gz YIBGAADUDRRFQC-UHFFFAOYSA-N 2 2 333.404 1.847 20 0 EDADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1SC(F)F ZINC000863555894 596617787 /nfs/dbraw/zinc/61/77/87/596617787.db2.gz YIBGAADUDRRFQC-UHFFFAOYSA-N 2 2 333.404 1.847 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000865656062 596640440 /nfs/dbraw/zinc/64/04/40/596640440.db2.gz RECWCLQXJBZDCA-KRWDZBQOSA-N 3 2 335.492 1.562 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1 ZINC000865656062 596640442 /nfs/dbraw/zinc/64/04/42/596640442.db2.gz RECWCLQXJBZDCA-KRWDZBQOSA-N 3 2 335.492 1.562 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC000865799572 596688628 /nfs/dbraw/zinc/68/86/28/596688628.db2.gz PZQVWIYLXVYLPI-MRXNPFEDSA-N 2 2 349.479 1.359 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[C@H]1CCCO1 ZINC000865799572 596688630 /nfs/dbraw/zinc/68/86/30/596688630.db2.gz PZQVWIYLXVYLPI-MRXNPFEDSA-N 2 2 349.479 1.359 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865812985 596693314 /nfs/dbraw/zinc/69/33/14/596693314.db2.gz ANSSDFDZXIUXNP-GOEBONIOSA-N 2 2 339.505 1.411 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CS(N)(=O)=O ZINC000865812985 596693315 /nfs/dbraw/zinc/69/33/15/596693315.db2.gz ANSSDFDZXIUXNP-GOEBONIOSA-N 2 2 339.505 1.411 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000865887445 596711059 /nfs/dbraw/zinc/71/10/59/596711059.db2.gz QNKQGOSMFOXOTK-NTPDMAOXSA-N 2 2 343.471 1.656 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000865887445 596711061 /nfs/dbraw/zinc/71/10/61/596711061.db2.gz QNKQGOSMFOXOTK-NTPDMAOXSA-N 2 2 343.471 1.656 20 0 EDADLP C[NH+](C)C[C@]1(O)CCCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000865924123 596723705 /nfs/dbraw/zinc/72/37/05/596723705.db2.gz HCXQHHFSANAARU-QGZVFWFLSA-N 2 2 332.452 1.474 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c[nH+]1 ZINC000864062451 596748892 /nfs/dbraw/zinc/74/88/92/596748892.db2.gz QFRZKUYKNLWIMD-UHFFFAOYSA-N 2 2 334.464 1.640 20 0 EDADLP COc1ccc([C@H]2CN(C(=O)/C=C\C[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000870144899 596771131 /nfs/dbraw/zinc/77/11/31/596771131.db2.gz IBXNZACYHNABTF-LHRDXKRPSA-N 2 2 345.443 1.057 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000872151988 596813950 /nfs/dbraw/zinc/81/39/50/596813950.db2.gz JDDKYADUCYPLJJ-FHSNZYRGSA-N 2 2 333.432 1.572 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1OC ZINC000872151988 596813952 /nfs/dbraw/zinc/81/39/52/596813952.db2.gz JDDKYADUCYPLJJ-FHSNZYRGSA-N 2 2 333.432 1.572 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC[C@@H]21 ZINC000866204063 596825649 /nfs/dbraw/zinc/82/56/49/596825649.db2.gz APCJNIQHBDAXNJ-XHSDSOJGSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC[C@@H]21 ZINC000866204063 596825657 /nfs/dbraw/zinc/82/56/57/596825657.db2.gz APCJNIQHBDAXNJ-XHSDSOJGSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC[C@@H]21 ZINC000866204063 596825659 /nfs/dbraw/zinc/82/56/59/596825659.db2.gz APCJNIQHBDAXNJ-XHSDSOJGSA-N 2 2 331.464 1.216 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CCSC1 ZINC000866333878 596860033 /nfs/dbraw/zinc/86/00/33/596860033.db2.gz OTMPQAOXNWMPJF-IUODEOHRSA-N 2 2 335.464 1.517 20 0 EDADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000866368006 596867567 /nfs/dbraw/zinc/86/75/67/596867567.db2.gz TVXAYEKUGRXMDR-KRWDZBQOSA-N 2 2 328.416 1.566 20 0 EDADLP O=C(C[NH2+][C@]12CCC[C@H]1OCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000872315125 596878756 /nfs/dbraw/zinc/87/87/56/596878756.db2.gz MVJKDGXSPSNQEN-AEFFLSMTSA-N 2 2 333.432 1.225 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000866411736 596879537 /nfs/dbraw/zinc/87/95/37/596879537.db2.gz VCPLMDWHXXKISY-HOCLYGCPSA-N 2 2 349.475 1.847 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1 ZINC000866411736 596879540 /nfs/dbraw/zinc/87/95/40/596879540.db2.gz VCPLMDWHXXKISY-HOCLYGCPSA-N 2 2 349.475 1.847 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c2ccccc21 ZINC000866412499 596880297 /nfs/dbraw/zinc/88/02/97/596880297.db2.gz JTBYRMBLRQUOAW-RDJZCZTQSA-N 2 2 331.460 1.919 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c2ccccc21 ZINC000866412499 596880299 /nfs/dbraw/zinc/88/02/99/596880299.db2.gz JTBYRMBLRQUOAW-RDJZCZTQSA-N 2 2 331.460 1.919 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCCn2cc[nH+]c2)(c2ccccc2)CC1 ZINC000864408858 596885460 /nfs/dbraw/zinc/88/54/60/596885460.db2.gz HTNMXNNWFOIZDF-UHFFFAOYSA-N 2 2 341.459 1.846 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000875636545 596928688 /nfs/dbraw/zinc/92/86/88/596928688.db2.gz MGZKOXXKWZGJRU-UHFFFAOYSA-N 2 2 337.468 1.403 20 0 EDADLP CCCNc1cc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)nc[nH+]1 ZINC000872775135 597063773 /nfs/dbraw/zinc/06/37/73/597063773.db2.gz PNOYFEWJIKNILH-UHFFFAOYSA-N 2 2 342.451 1.377 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000874433727 597076744 /nfs/dbraw/zinc/07/67/44/597076744.db2.gz PVCFXBZRKCTFNG-OAHLLOKOSA-N 2 2 343.431 1.292 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000876088440 597083910 /nfs/dbraw/zinc/08/39/10/597083910.db2.gz FYBOWOJXDRNLKK-SFHVURJKSA-N 2 2 346.475 1.201 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000876088440 597083913 /nfs/dbraw/zinc/08/39/13/597083913.db2.gz FYBOWOJXDRNLKK-SFHVURJKSA-N 2 2 346.475 1.201 20 0 EDADLP CCOC(=O)[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000874462324 597090444 /nfs/dbraw/zinc/09/04/44/597090444.db2.gz LGBBVBFTIRZANL-ZBFHGGJFSA-N 2 2 339.480 1.106 20 0 EDADLP CCOC(=O)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000874462324 597090447 /nfs/dbraw/zinc/09/04/47/597090447.db2.gz LGBBVBFTIRZANL-ZBFHGGJFSA-N 2 2 339.480 1.106 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCNC(=O)CC3)CC2)cc1 ZINC000873062418 597177042 /nfs/dbraw/zinc/17/70/42/597177042.db2.gz QKYSXKAORGGBAW-OAHLLOKOSA-N 2 2 330.476 1.980 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)[NH+]1CCOCC1 ZINC000874835732 597191852 /nfs/dbraw/zinc/19/18/52/597191852.db2.gz BBGVRZNHXWOMHC-OKZBNKHCSA-N 2 2 337.508 1.819 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)[NH+]1CCOCC1 ZINC000874835732 597191854 /nfs/dbraw/zinc/19/18/54/597191854.db2.gz BBGVRZNHXWOMHC-OKZBNKHCSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)[NH+]1CCSCC1 ZINC000874893387 597212355 /nfs/dbraw/zinc/21/23/55/597212355.db2.gz QSZBLISHDIVSNV-CJNGLKHVSA-N 2 2 337.464 1.736 20 0 EDADLP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000876731825 597311464 /nfs/dbraw/zinc/31/14/64/597311464.db2.gz UOEOJCVKLLEUPH-LLVKDONJSA-N 2 2 333.461 1.934 20 0 EDADLP [NH3+]C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000876834641 597353670 /nfs/dbraw/zinc/35/36/70/597353670.db2.gz TVEQRXYZSOFMCG-ORUDLHBZSA-N 2 2 339.439 1.844 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876852857 597359855 /nfs/dbraw/zinc/35/98/55/597359855.db2.gz HCPCDAHVBNPMAI-RKDXNWHRSA-N 2 2 326.269 1.442 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877201686 597460669 /nfs/dbraw/zinc/46/06/69/597460669.db2.gz NDAXTWOMEFYGHL-HIFRSBDPSA-N 2 2 338.452 1.199 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)C2)c1 ZINC000877248389 597478989 /nfs/dbraw/zinc/47/89/89/597478989.db2.gz LMWQBACMKFSFEP-KSZLIROESA-N 2 2 349.450 1.260 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)C2)c1 ZINC000877248389 597478990 /nfs/dbraw/zinc/47/89/90/597478990.db2.gz LMWQBACMKFSFEP-KSZLIROESA-N 2 2 349.450 1.260 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)C2)c1 ZINC000877248390 597479102 /nfs/dbraw/zinc/47/91/02/597479102.db2.gz LMWQBACMKFSFEP-KURKYZTESA-N 2 2 349.450 1.260 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)C2)c1 ZINC000877248390 597479103 /nfs/dbraw/zinc/47/91/03/597479103.db2.gz LMWQBACMKFSFEP-KURKYZTESA-N 2 2 349.450 1.260 20 0 EDADLP OCCC1(CCO)CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000877690396 597547653 /nfs/dbraw/zinc/54/76/53/597547653.db2.gz FDTVWMYYQUMAQS-UHFFFAOYSA-N 2 2 330.432 1.614 20 0 EDADLP CO[C@@H]1C[C@H]2C[N@H+](Cc3c[nH+]c(C)n3C)Cc3cccnc3N2C1 ZINC000877690813 597547974 /nfs/dbraw/zinc/54/79/74/597547974.db2.gz HUBUJZZVENNBCZ-DOTOQJQBSA-N 2 2 327.432 1.733 20 0 EDADLP CO[C@@H]1C[C@H]2C[N@@H+](Cc3c[nH+]c(C)n3C)Cc3cccnc3N2C1 ZINC000877690813 597547975 /nfs/dbraw/zinc/54/79/75/597547975.db2.gz HUBUJZZVENNBCZ-DOTOQJQBSA-N 2 2 327.432 1.733 20 0 EDADLP COc1cccc(OC)c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746323 597552732 /nfs/dbraw/zinc/55/27/32/597552732.db2.gz MOPQNHROLVCJSS-UHFFFAOYSA-N 2 2 333.476 1.916 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591566 597648380 /nfs/dbraw/zinc/64/83/80/597648380.db2.gz PCUAOVMYZKTVMM-QGZVFWFLSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064274 597828129 /nfs/dbraw/zinc/82/81/29/597828129.db2.gz LOQLIRHWLOXKGL-YPMHNXCESA-N 2 2 337.386 1.239 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064274 597828132 /nfs/dbraw/zinc/82/81/32/597828132.db2.gz LOQLIRHWLOXKGL-YPMHNXCESA-N 2 2 337.386 1.239 20 0 EDADLP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880134255 597851910 /nfs/dbraw/zinc/85/19/10/597851910.db2.gz XWUUWQZNOCHCPM-NEWSRXKRSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880134255 597851912 /nfs/dbraw/zinc/85/19/12/597851912.db2.gz XWUUWQZNOCHCPM-NEWSRXKRSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000880134255 597851914 /nfs/dbraw/zinc/85/19/14/597851914.db2.gz XWUUWQZNOCHCPM-NEWSRXKRSA-N 2 2 334.460 1.741 20 0 EDADLP COc1ccc(COC[C@H](O)C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000880134255 597851915 /nfs/dbraw/zinc/85/19/15/597851915.db2.gz XWUUWQZNOCHCPM-NEWSRXKRSA-N 2 2 334.460 1.741 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261060 597886213 /nfs/dbraw/zinc/88/62/13/597886213.db2.gz HJCXDBOPGYGDDU-CABCVRRESA-N 2 2 347.463 1.462 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261060 597886215 /nfs/dbraw/zinc/88/62/15/597886215.db2.gz HJCXDBOPGYGDDU-CABCVRRESA-N 2 2 347.463 1.462 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568033 597966686 /nfs/dbraw/zinc/96/66/86/597966686.db2.gz RWHKCHDIJLBURR-HNNXBMFYSA-N 2 2 343.431 1.838 20 0 EDADLP CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000880589626 597974138 /nfs/dbraw/zinc/97/41/38/597974138.db2.gz ATDFBFKGBVDBSJ-IRXDYDNUSA-N 2 2 348.491 1.237 20 0 EDADLP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000880589626 597974139 /nfs/dbraw/zinc/97/41/39/597974139.db2.gz ATDFBFKGBVDBSJ-IRXDYDNUSA-N 2 2 348.491 1.237 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)[C@@H](C)CO1 ZINC000884401423 598093819 /nfs/dbraw/zinc/09/38/19/598093819.db2.gz PJPZRACJWHOOLB-GRDNDAEWSA-N 2 2 344.459 1.263 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)[C@@H](C)CO1 ZINC000884401423 598093823 /nfs/dbraw/zinc/09/38/23/598093823.db2.gz PJPZRACJWHOOLB-GRDNDAEWSA-N 2 2 344.459 1.263 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000914277125 695325239 /nfs/dbraw/zinc/32/52/39/695325239.db2.gz BONWNAZAPZYCGL-DLBZAZTESA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000939858280 699997040 /nfs/dbraw/zinc/99/70/40/699997040.db2.gz XHFODLRNNDHZKF-YOEHRIQHSA-N 2 2 342.447 1.053 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000939858278 699997266 /nfs/dbraw/zinc/99/72/66/699997266.db2.gz XHFODLRNNDHZKF-RHSMWYFYSA-N 2 2 342.447 1.053 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnns3)[C@@H]2C1 ZINC000992826074 695386360 /nfs/dbraw/zinc/38/63/60/695386360.db2.gz AALHOOUTBQPKPY-GLQYFDAESA-N 2 2 346.460 1.221 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)co1 ZINC000992871979 695420362 /nfs/dbraw/zinc/42/03/62/695420362.db2.gz FUODZZJFZSMMHM-CWRNSKLLSA-N 2 2 343.431 1.666 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992920197 695454425 /nfs/dbraw/zinc/45/44/25/695454425.db2.gz BWITYHJULDWQQY-USXIJHARSA-N 2 2 343.431 1.596 20 0 EDADLP CCn1cc(CC[NH+]2CC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)cn1 ZINC001031254382 696030329 /nfs/dbraw/zinc/03/03/29/696030329.db2.gz QZEYXQQWLCQSAJ-AEFFLSMTSA-N 2 2 347.507 1.366 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001031259588 696071840 /nfs/dbraw/zinc/07/18/40/696071840.db2.gz FHRFRZGKIVTWKC-GJZGRUSLSA-N 2 2 331.460 1.898 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031259588 696071843 /nfs/dbraw/zinc/07/18/43/696071843.db2.gz FHRFRZGKIVTWKC-GJZGRUSLSA-N 2 2 331.460 1.898 20 0 EDADLP CCc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2C[NH+](C)CCO2)c1 ZINC001038136012 700070774 /nfs/dbraw/zinc/07/07/74/700070774.db2.gz KBACBFZXXYECJB-ZWKOTPCHSA-N 2 2 331.460 1.270 20 0 EDADLP CCc1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2C[NH+](C)CCO2)c1 ZINC001038136012 700070777 /nfs/dbraw/zinc/07/07/77/700070777.db2.gz KBACBFZXXYECJB-ZWKOTPCHSA-N 2 2 331.460 1.270 20 0 EDADLP CCc1cccc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001038136012 700070779 /nfs/dbraw/zinc/07/07/79/700070779.db2.gz KBACBFZXXYECJB-ZWKOTPCHSA-N 2 2 331.460 1.270 20 0 EDADLP CCc1cccc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001038136012 700070781 /nfs/dbraw/zinc/07/07/81/700070781.db2.gz KBACBFZXXYECJB-ZWKOTPCHSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1Cc1ccnn1C ZINC000993569180 696249311 /nfs/dbraw/zinc/24/93/11/696249311.db2.gz OVVVEJQOUBUGSG-DOTOQJQBSA-N 2 2 345.491 1.518 20 0 EDADLP C[C@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1Cc1ccnn1C ZINC000993569180 696249312 /nfs/dbraw/zinc/24/93/12/696249312.db2.gz OVVVEJQOUBUGSG-DOTOQJQBSA-N 2 2 345.491 1.518 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cn(C)nc2C)[C@@H]1C ZINC000993627160 696290903 /nfs/dbraw/zinc/29/09/03/696290903.db2.gz WMSDOPBJJJXGLI-NVXWUHKLSA-N 2 2 344.463 1.403 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C)[C@@H]1C ZINC000993627160 696290904 /nfs/dbraw/zinc/29/09/04/696290904.db2.gz WMSDOPBJJJXGLI-NVXWUHKLSA-N 2 2 344.463 1.403 20 0 EDADLP COc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994413645 696839360 /nfs/dbraw/zinc/83/93/60/696839360.db2.gz WYCKIIUIRMMCFR-WBVHZDCISA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994413645 696839365 /nfs/dbraw/zinc/83/93/65/696839365.db2.gz WYCKIIUIRMMCFR-WBVHZDCISA-N 2 2 346.475 1.655 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NCC[N@H+](C)C2CCCC2)n1 ZINC000916973312 696866952 /nfs/dbraw/zinc/86/69/52/696866952.db2.gz YSHMJBNBOARZAW-UHFFFAOYSA-N 2 2 339.509 1.878 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NCC[N@@H+](C)C2CCCC2)n1 ZINC000916973312 696866955 /nfs/dbraw/zinc/86/69/55/696866955.db2.gz YSHMJBNBOARZAW-UHFFFAOYSA-N 2 2 339.509 1.878 20 0 EDADLP Cc1cncc(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)c1 ZINC000994511158 696955944 /nfs/dbraw/zinc/95/59/44/696955944.db2.gz VOJYWWKGTYFOBX-WBVHZDCISA-N 2 2 327.432 1.756 20 0 EDADLP Cc1cncc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)c1 ZINC000994511158 696955947 /nfs/dbraw/zinc/95/59/47/696955947.db2.gz VOJYWWKGTYFOBX-WBVHZDCISA-N 2 2 327.432 1.756 20 0 EDADLP CCO[C@H](CNC(=O)NCCc1cn2cccc(C)c2[nH+]1)C[NH+](C)C ZINC000921170305 697522078 /nfs/dbraw/zinc/52/20/78/697522078.db2.gz KWWJQTYHDAYSEJ-MRXNPFEDSA-N 2 2 347.463 1.451 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000921437730 697613037 /nfs/dbraw/zinc/61/30/37/697613037.db2.gz FURJJQLNRDDJHY-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)c1 ZINC000943174123 697865837 /nfs/dbraw/zinc/86/58/37/697865837.db2.gz BPPIHFVBNNRKPC-WMLDXEAASA-N 2 2 327.432 1.682 20 0 EDADLP Cc1cncc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)c1 ZINC000943174123 697865839 /nfs/dbraw/zinc/86/58/39/697865839.db2.gz BPPIHFVBNNRKPC-WMLDXEAASA-N 2 2 327.432 1.682 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)[NH+](C)C ZINC000943479580 698385126 /nfs/dbraw/zinc/38/51/26/698385126.db2.gz DAKWFJMUBSHRCD-YOEHRIQHSA-N 2 2 349.479 1.036 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c(C)o1 ZINC000995152372 701549780 /nfs/dbraw/zinc/54/97/80/701549780.db2.gz LLEORXIIPJNCQZ-ZIAGYGMSSA-N 2 2 331.420 1.632 20 0 EDADLP CC(C)[C@H](C(=O)N1CCCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)[NH+](C)C ZINC000943569584 698517892 /nfs/dbraw/zinc/51/78/92/698517892.db2.gz GGYQFWCFGJAFKN-RHSMWYFYSA-N 2 2 349.479 1.036 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC000995040508 700240606 /nfs/dbraw/zinc/24/06/06/700240606.db2.gz XAXLGDHYMWEEAO-CHWSQXEVSA-N 2 2 334.449 1.118 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767056 698820665 /nfs/dbraw/zinc/82/06/65/698820665.db2.gz QJTGUEYCYXXCAQ-IUODEOHRSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767056 698820670 /nfs/dbraw/zinc/82/06/70/698820670.db2.gz QJTGUEYCYXXCAQ-IUODEOHRSA-N 2 2 345.447 1.838 20 0 EDADLP COc1ccnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000995157437 701564682 /nfs/dbraw/zinc/56/46/82/701564682.db2.gz YKUQCODOZOBQLZ-UONOGXRCSA-N 2 2 343.431 1.431 20 0 EDADLP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031775205 699141632 /nfs/dbraw/zinc/14/16/32/699141632.db2.gz BUXHBPRNVYEHRZ-INIZCTEOSA-N 2 2 339.443 1.397 20 0 EDADLP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031775571 699159070 /nfs/dbraw/zinc/15/90/70/699159070.db2.gz HJGPGSDYVNFLNL-INIZCTEOSA-N 2 2 339.443 1.397 20 0 EDADLP Cc1ccc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1 ZINC000939214538 699385985 /nfs/dbraw/zinc/38/59/85/699385985.db2.gz LSCCBHVKBGRFST-QAPCUYQASA-N 2 2 326.444 1.940 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C)on1 ZINC000939233738 699400392 /nfs/dbraw/zinc/40/03/92/699400392.db2.gz AEJQYKZDSGLWBH-CJNGLKHVSA-N 2 2 345.447 1.940 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cnns2)C1 ZINC000939234005 699400919 /nfs/dbraw/zinc/40/09/19/699400919.db2.gz BSRMOYLSOCLDEI-GXTWGEPZSA-N 2 2 348.476 1.495 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939256962 699433786 /nfs/dbraw/zinc/43/37/86/699433786.db2.gz HDTVVRRNYAGJBV-UKRRQHHQSA-N 2 2 349.479 1.300 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccnc(Cl)c2)C1)C12CCC[NH+]1CCC2 ZINC001031813528 699502340 /nfs/dbraw/zinc/50/23/40/699502340.db2.gz XHJSWTRXGDCTNY-UHFFFAOYSA-N 2 2 348.878 1.911 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939409583 699564042 /nfs/dbraw/zinc/56/40/42/699564042.db2.gz WCOGYNXTZPVJCS-DGCLKSJQSA-N 2 2 333.823 1.637 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)s1 ZINC000939534338 699675021 /nfs/dbraw/zinc/67/50/21/699675021.db2.gz JACMMCCQOSVHFT-NHYWBVRUSA-N 2 2 333.461 1.364 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cs1 ZINC000939534494 699675441 /nfs/dbraw/zinc/67/54/41/699675441.db2.gz KSFOKZLBIVOHMP-LRDDRELGSA-N 2 2 332.473 1.969 20 0 EDADLP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939535974 699677033 /nfs/dbraw/zinc/67/70/33/699677033.db2.gz SVORQQABHKINCL-SMDDNHRTSA-N 2 2 333.461 1.364 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939539367 699680220 /nfs/dbraw/zinc/68/02/20/699680220.db2.gz CGUKDDBBNONUBG-DGCLKSJQSA-N 2 2 331.420 1.620 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCc1ccns1 ZINC000939540466 699681204 /nfs/dbraw/zinc/68/12/04/699681204.db2.gz HFCFTCIKYKMKCI-TZMCWYRMSA-N 2 2 347.488 1.823 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)c1 ZINC000939621536 699758051 /nfs/dbraw/zinc/75/80/51/699758051.db2.gz AZFITSIPRILULA-ACJLOTCBSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000939622920 699760441 /nfs/dbraw/zinc/76/04/41/699760441.db2.gz PPSFZMVBCWCDOS-IAQYHMDHSA-N 2 2 347.850 1.946 20 0 EDADLP Cc1ncsc1CC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939625198 699763002 /nfs/dbraw/zinc/76/30/02/699763002.db2.gz BIQDPUWEEWRAGO-NHYWBVRUSA-N 2 2 347.488 1.705 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939642357 699771840 /nfs/dbraw/zinc/77/18/40/699771840.db2.gz JLZNCOBVRYGDDN-GUYCJALGSA-N 2 2 344.463 1.031 20 0 EDADLP CC[NH+]1CC(N2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941679205 701616572 /nfs/dbraw/zinc/61/65/72/701616572.db2.gz UUJAHPXSHITXNZ-GOSISDBHSA-N 2 2 330.476 1.138 20 0 EDADLP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144796 700274613 /nfs/dbraw/zinc/27/46/13/700274613.db2.gz ODPKMXZZSNRBBO-UHFFFAOYSA-N 2 2 330.436 1.247 20 0 EDADLP CC(C)(C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1)c1c[nH+]c[nH]1 ZINC000940426111 700619639 /nfs/dbraw/zinc/61/96/39/700619639.db2.gz FXJYVHPACHYXQA-UHFFFAOYSA-N 2 2 342.447 1.648 20 0 EDADLP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000940482804 700670616 /nfs/dbraw/zinc/67/06/16/700670616.db2.gz SHEPWZCPTAZZIL-UHFFFAOYSA-N 2 2 346.435 1.560 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940620725 700781476 /nfs/dbraw/zinc/78/14/76/700781476.db2.gz JITZPAHNLYALCZ-UONOGXRCSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940620725 700781477 /nfs/dbraw/zinc/78/14/77/700781477.db2.gz JITZPAHNLYALCZ-UONOGXRCSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940620725 700781479 /nfs/dbraw/zinc/78/14/79/700781479.db2.gz JITZPAHNLYALCZ-UONOGXRCSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940620725 700781481 /nfs/dbraw/zinc/78/14/81/700781481.db2.gz JITZPAHNLYALCZ-UONOGXRCSA-N 2 2 335.452 1.189 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001031968911 701675064 /nfs/dbraw/zinc/67/50/64/701675064.db2.gz PLTMVQOOAZYRPR-HIFRSBDPSA-N 2 2 332.448 1.304 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000940736714 700877758 /nfs/dbraw/zinc/87/77/58/700877758.db2.gz ITWIVKWYPRLODK-HZPDHXFCSA-N 2 2 349.479 1.659 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnon2)CC1(C)C ZINC000940736714 700877759 /nfs/dbraw/zinc/87/77/59/700877759.db2.gz ITWIVKWYPRLODK-HZPDHXFCSA-N 2 2 349.479 1.659 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnon2)CC1(C)C ZINC000940736714 700877761 /nfs/dbraw/zinc/87/77/61/700877761.db2.gz ITWIVKWYPRLODK-HZPDHXFCSA-N 2 2 349.479 1.659 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnon2)CC1(C)C ZINC000940736714 700877763 /nfs/dbraw/zinc/87/77/63/700877763.db2.gz ITWIVKWYPRLODK-HZPDHXFCSA-N 2 2 349.479 1.659 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)o1 ZINC000940757015 700892201 /nfs/dbraw/zinc/89/22/01/700892201.db2.gz PNQROLDGISQDJP-BPLDGKMQSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)o1 ZINC000940757015 700892203 /nfs/dbraw/zinc/89/22/03/700892203.db2.gz PNQROLDGISQDJP-BPLDGKMQSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)o1 ZINC000940757015 700892205 /nfs/dbraw/zinc/89/22/05/700892205.db2.gz PNQROLDGISQDJP-BPLDGKMQSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)o1 ZINC000940757015 700892206 /nfs/dbraw/zinc/89/22/06/700892206.db2.gz PNQROLDGISQDJP-BPLDGKMQSA-N 2 2 349.479 1.435 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837376 700934897 /nfs/dbraw/zinc/93/48/97/700934897.db2.gz SSIIUMGVZRCHCC-OAHLLOKOSA-N 2 2 336.480 1.790 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837376 700934899 /nfs/dbraw/zinc/93/48/99/700934899.db2.gz SSIIUMGVZRCHCC-OAHLLOKOSA-N 2 2 336.480 1.790 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940842350 700938239 /nfs/dbraw/zinc/93/82/39/700938239.db2.gz DRQSVSNQSLMPSS-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940842350 700938241 /nfs/dbraw/zinc/93/82/41/700938241.db2.gz DRQSVSNQSLMPSS-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C(C)(C)C2)n1 ZINC000940842350 700938243 /nfs/dbraw/zinc/93/82/43/700938243.db2.gz DRQSVSNQSLMPSS-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C(C)(C)C2)n1 ZINC000940842350 700938245 /nfs/dbraw/zinc/93/82/45/700938245.db2.gz DRQSVSNQSLMPSS-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941029730 701070648 /nfs/dbraw/zinc/07/06/48/701070648.db2.gz ZWZUNPRMQRSJOY-OAHLLOKOSA-N 2 2 349.479 1.518 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941029730 701070650 /nfs/dbraw/zinc/07/06/50/701070650.db2.gz ZWZUNPRMQRSJOY-OAHLLOKOSA-N 2 2 349.479 1.518 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941029730 701070653 /nfs/dbraw/zinc/07/06/53/701070653.db2.gz ZWZUNPRMQRSJOY-OAHLLOKOSA-N 2 2 349.479 1.518 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941029730 701070657 /nfs/dbraw/zinc/07/06/57/701070657.db2.gz ZWZUNPRMQRSJOY-OAHLLOKOSA-N 2 2 349.479 1.518 20 0 EDADLP CC1(C)C[N@H+](C[C@@H]2CCCCO2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062151 701109784 /nfs/dbraw/zinc/10/97/84/701109784.db2.gz WLUUBIQGGFOPQO-JKSUJKDBSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)C[N@@H+](C[C@@H]2CCCCO2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062151 701109785 /nfs/dbraw/zinc/10/97/85/701109785.db2.gz WLUUBIQGGFOPQO-JKSUJKDBSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1csc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995118832 701115710 /nfs/dbraw/zinc/11/57/10/701115710.db2.gz UOPVGCJLXPTZKB-QWHCGFSZSA-N 2 2 333.461 1.792 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)ncn1 ZINC001031926275 701164618 /nfs/dbraw/zinc/16/46/18/701164618.db2.gz YDYMFTYGQAHMPE-HOCLYGCPSA-N 2 2 331.464 1.063 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)ncn1 ZINC001031926275 701164622 /nfs/dbraw/zinc/16/46/22/701164622.db2.gz YDYMFTYGQAHMPE-HOCLYGCPSA-N 2 2 331.464 1.063 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1 ZINC000945809238 701201330 /nfs/dbraw/zinc/20/13/30/701201330.db2.gz SEEBJUXDOATKGD-YJBOKZPZSA-N 2 2 342.443 1.919 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1 ZINC000945809238 701201331 /nfs/dbraw/zinc/20/13/31/701201331.db2.gz SEEBJUXDOATKGD-YJBOKZPZSA-N 2 2 342.443 1.919 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)sn1 ZINC000945809612 701202497 /nfs/dbraw/zinc/20/24/97/701202497.db2.gz VDSYDHNNZXVAIO-DOMZBBRYSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)sn1 ZINC000945809612 701202499 /nfs/dbraw/zinc/20/24/99/701202499.db2.gz VDSYDHNNZXVAIO-DOMZBBRYSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809937 701202922 /nfs/dbraw/zinc/20/29/22/701202922.db2.gz WFOTWKZQUYLETD-TZMCWYRMSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809937 701202923 /nfs/dbraw/zinc/20/29/23/701202923.db2.gz WFOTWKZQUYLETD-TZMCWYRMSA-N 2 2 333.461 1.675 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941163988 701229112 /nfs/dbraw/zinc/22/91/12/701229112.db2.gz RDSIPVCTRAZWQA-HOCLYGCPSA-N 2 2 334.464 1.733 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941163988 701229115 /nfs/dbraw/zinc/22/91/15/701229115.db2.gz RDSIPVCTRAZWQA-HOCLYGCPSA-N 2 2 334.464 1.733 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941163988 701229117 /nfs/dbraw/zinc/22/91/17/701229117.db2.gz RDSIPVCTRAZWQA-HOCLYGCPSA-N 2 2 334.464 1.733 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941163988 701229120 /nfs/dbraw/zinc/22/91/20/701229120.db2.gz RDSIPVCTRAZWQA-HOCLYGCPSA-N 2 2 334.464 1.733 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)C2)o1 ZINC000941224506 701414592 /nfs/dbraw/zinc/41/45/92/701414592.db2.gz WILAJUQSKDZGLB-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP CCOc1cccc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001031947241 701500796 /nfs/dbraw/zinc/50/07/96/701500796.db2.gz DZWTUFRGQKGBQD-UHFFFAOYSA-N 2 2 346.475 1.370 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)sn1 ZINC000995148233 701536474 /nfs/dbraw/zinc/53/64/74/701536474.db2.gz BCYUVNQJDGZBMS-STQMWFEESA-N 2 2 333.461 1.792 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)o1 ZINC000995746418 701970896 /nfs/dbraw/zinc/97/08/96/701970896.db2.gz LXNBMOHQJXFVAK-HNNXBMFYSA-N 2 2 345.447 1.974 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)n1 ZINC000995749865 701999269 /nfs/dbraw/zinc/99/92/69/701999269.db2.gz XDNDLURNYNUSGP-HNNXBMFYSA-N 2 2 344.463 1.586 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1C ZINC000944442568 702024000 /nfs/dbraw/zinc/02/40/00/702024000.db2.gz DOVVTIOUXXMUKJ-BBRMVZONSA-N 2 2 334.464 1.514 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1C ZINC000944442568 702024008 /nfs/dbraw/zinc/02/40/08/702024008.db2.gz DOVVTIOUXXMUKJ-BBRMVZONSA-N 2 2 334.464 1.514 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031977765 702036598 /nfs/dbraw/zinc/03/65/98/702036598.db2.gz HUICYMHTACMPBA-WBMJQRKESA-N 2 2 337.414 1.711 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)ccc2F)C1 ZINC001031977765 702036602 /nfs/dbraw/zinc/03/66/02/702036602.db2.gz HUICYMHTACMPBA-WBMJQRKESA-N 2 2 337.414 1.711 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnoc2C)C[C@H]1C ZINC000944447110 702038628 /nfs/dbraw/zinc/03/86/28/702038628.db2.gz XPRJKJVEFNNLBX-IAQYHMDHSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cnoc2C)C[C@H]1C ZINC000944447110 702038634 /nfs/dbraw/zinc/03/86/34/702038634.db2.gz XPRJKJVEFNNLBX-IAQYHMDHSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031978478 702092872 /nfs/dbraw/zinc/09/28/72/702092872.db2.gz UGNQDTKFVCNXLK-HNNXBMFYSA-N 2 2 343.431 1.299 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(F)c3Cl)C2)C1 ZINC001032181064 702095588 /nfs/dbraw/zinc/09/55/88/702095588.db2.gz ALXXWLJLBPKNBU-CQSZACIVSA-N 2 2 339.842 1.979 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(F)c3Cl)C2)C1 ZINC001032181064 702095595 /nfs/dbraw/zinc/09/55/95/702095595.db2.gz ALXXWLJLBPKNBU-CQSZACIVSA-N 2 2 339.842 1.979 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(OC)n2)C1 ZINC001032205998 702122161 /nfs/dbraw/zinc/12/21/61/702122161.db2.gz OUKQUGVCEQBEKX-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(OC)n2)C1 ZINC001032205998 702122164 /nfs/dbraw/zinc/12/21/64/702122164.db2.gz OUKQUGVCEQBEKX-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032185800 702308870 /nfs/dbraw/zinc/30/88/70/702308870.db2.gz CGOMMTNKBSJNCF-GDBMZVCRSA-N 2 2 344.459 1.013 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032185800 702308878 /nfs/dbraw/zinc/30/88/78/702308878.db2.gz CGOMMTNKBSJNCF-GDBMZVCRSA-N 2 2 344.459 1.013 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995981835 702341145 /nfs/dbraw/zinc/34/11/45/702341145.db2.gz NXGXFWGYCRNGQL-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995981835 702341151 /nfs/dbraw/zinc/34/11/51/702341151.db2.gz NXGXFWGYCRNGQL-UONOGXRCSA-N 2 2 349.479 1.443 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000995982843 702342732 /nfs/dbraw/zinc/34/27/32/702342732.db2.gz PYDZNBSUNBEOET-KGLIPLIRSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1 ZINC000995982843 702342739 /nfs/dbraw/zinc/34/27/39/702342739.db2.gz PYDZNBSUNBEOET-KGLIPLIRSA-N 2 2 337.493 1.349 20 0 EDADLP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CCC1 ZINC001031987209 702413859 /nfs/dbraw/zinc/41/38/59/702413859.db2.gz XSIBTPWSRISSEQ-JFIYKMOQSA-N 2 2 346.475 1.387 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@H]([NH2+]CCC)C(C)(C)C1 ZINC000996089478 702498993 /nfs/dbraw/zinc/49/89/93/702498993.db2.gz IUXPVLRQQUGAPC-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@H]([NH2+]CCC)C(C)(C)C1 ZINC000996089478 702498995 /nfs/dbraw/zinc/49/89/95/702498995.db2.gz IUXPVLRQQUGAPC-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000942062810 702518672 /nfs/dbraw/zinc/51/86/72/702518672.db2.gz ACTIFBPFCILOKC-WMLDXEAASA-N 2 2 330.476 1.999 20 0 EDADLP C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000942062810 702518676 /nfs/dbraw/zinc/51/86/76/702518676.db2.gz ACTIFBPFCILOKC-WMLDXEAASA-N 2 2 330.476 1.999 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)nn1C ZINC000996104269 702524065 /nfs/dbraw/zinc/52/40/65/702524065.db2.gz CCSARXTXOVRPTN-INIZCTEOSA-N 2 2 344.463 1.342 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000185341227 702564490 /nfs/dbraw/zinc/56/44/90/702564490.db2.gz INQHMHSQHLJIHS-LBPRGKRZSA-N 2 2 325.840 1.860 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1)[NH+](C)C ZINC000996245233 702648768 /nfs/dbraw/zinc/64/87/68/702648768.db2.gz IAKVWFSCKIVXQM-ZIAGYGMSSA-N 2 2 339.509 1.451 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1)[NH+](C)C ZINC000996312923 702701396 /nfs/dbraw/zinc/70/13/96/702701396.db2.gz BQKFZUPKIBTMSN-NWDGAFQWSA-N 2 2 325.482 1.205 20 0 EDADLP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2nnc(C3CC3)o2)C(C)(C)C1)[NH+](C)C ZINC000996315008 702703189 /nfs/dbraw/zinc/70/31/89/702703189.db2.gz LFFXTWNJNJTNAE-KBPBESRZSA-N 2 2 349.479 1.614 20 0 EDADLP C[C@H](CC(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1)n1cc[nH+]c1 ZINC000996364877 702724816 /nfs/dbraw/zinc/72/48/16/702724816.db2.gz PYRHSROJDDLNPT-OCCSQVGLSA-N 2 2 348.476 1.713 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996357585 702734752 /nfs/dbraw/zinc/73/47/52/702734752.db2.gz YSZROMMALLALFA-CYBMUJFWSA-N 2 2 334.449 1.139 20 0 EDADLP CC(C)[NH2+][C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1(C)C ZINC000996373512 702740804 /nfs/dbraw/zinc/74/08/04/702740804.db2.gz FVCKUWGNVJCRKP-INIZCTEOSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258956 702768863 /nfs/dbraw/zinc/76/88/63/702768863.db2.gz RASRANBOJIPWBB-ZBFHGGJFSA-N 2 2 332.448 1.630 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942258956 702768866 /nfs/dbraw/zinc/76/88/66/702768866.db2.gz RASRANBOJIPWBB-ZBFHGGJFSA-N 2 2 332.448 1.630 20 0 EDADLP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000996476482 702808772 /nfs/dbraw/zinc/80/87/72/702808772.db2.gz REFWFOQAQVOESM-PBHICJAKSA-N 2 2 342.443 1.693 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1 ZINC000996560681 702878830 /nfs/dbraw/zinc/87/88/30/702878830.db2.gz DJOCVOGEGWHZOH-INIZCTEOSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC000995242927 702920002 /nfs/dbraw/zinc/92/00/02/702920002.db2.gz HMYSBEXLDYVRIH-LSDHHAIUSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1cccc(OCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001032315365 702970734 /nfs/dbraw/zinc/97/07/34/702970734.db2.gz JCVWSFYWRWODLV-JENIJYKNSA-N 2 2 343.471 1.753 20 0 EDADLP Cc1cccc(OCC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001032315365 702970737 /nfs/dbraw/zinc/97/07/37/702970737.db2.gz JCVWSFYWRWODLV-JENIJYKNSA-N 2 2 343.471 1.753 20 0 EDADLP 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703015392 /nfs/dbraw/zinc/01/53/92/703015392.db2.gz RCONRSBAXMTUJH-MRXNPFEDSA-N 2 2 344.463 1.223 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)o1 ZINC000996731918 703028991 /nfs/dbraw/zinc/02/89/91/703028991.db2.gz NEYNJYXRXSDLNF-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942556177 703070175 /nfs/dbraw/zinc/07/01/75/703070175.db2.gz WLTMVIWZUBHVRO-UKRRQHHQSA-N 2 2 349.479 1.579 20 0 EDADLP Cn1cc(C[NH2+]C2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cn1 ZINC000996796529 703080842 /nfs/dbraw/zinc/08/08/42/703080842.db2.gz TWSZMDRNDNQZEG-UHFFFAOYSA-N 2 2 338.415 1.462 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596763 703111229 /nfs/dbraw/zinc/11/12/29/703111229.db2.gz GBLINNNWLBPRAT-HIFRSBDPSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596763 703111230 /nfs/dbraw/zinc/11/12/30/703111230.db2.gz 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704116684 /nfs/dbraw/zinc/11/66/84/704116684.db2.gz WBQIRIUAJYYWTO-WBVHZDCISA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001033074133 704116688 /nfs/dbraw/zinc/11/66/88/704116688.db2.gz WBQIRIUAJYYWTO-WBVHZDCISA-N 2 2 334.464 1.889 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)on1 ZINC001033074133 704116690 /nfs/dbraw/zinc/11/66/90/704116690.db2.gz WBQIRIUAJYYWTO-WBVHZDCISA-N 2 2 334.464 1.889 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033078659 704130098 /nfs/dbraw/zinc/13/00/98/704130098.db2.gz YEVLXTNGPNBGLD-INIZCTEOSA-N 2 2 347.507 1.717 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033078659 704130101 /nfs/dbraw/zinc/13/01/01/704130101.db2.gz YEVLXTNGPNBGLD-INIZCTEOSA-N 2 2 347.507 1.717 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)c(C)o1 ZINC001033080180 704145623 /nfs/dbraw/zinc/14/56/23/704145623.db2.gz DTMTXFPHZXAPPJ-SJORKVTESA-N 2 2 346.475 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)c(C)o1 ZINC001033080180 704145625 /nfs/dbraw/zinc/14/56/25/704145625.db2.gz DTMTXFPHZXAPPJ-SJORKVTESA-N 2 2 346.475 1.666 20 0 EDADLP CCO[C@@H](C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C[NH+](C)C ZINC000922756659 704316536 /nfs/dbraw/zinc/31/65/36/704316536.db2.gz RLQYQVOOMFFOCK-SFHVURJKSA-N 2 2 333.476 1.979 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c1 ZINC000922820865 704396683 /nfs/dbraw/zinc/39/66/83/704396683.db2.gz GTGLCOPZIMOTDJ-MRXNPFEDSA-N 2 2 330.436 1.350 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)o1 ZINC000997737793 704635315 /nfs/dbraw/zinc/63/53/15/704635315.db2.gz MRMMGSRBWBLAPR-LBPRGKRZSA-N 2 2 346.435 1.623 20 0 EDADLP Cc1nocc1C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000997816170 704737126 /nfs/dbraw/zinc/73/71/26/704737126.db2.gz ICRJFFARPDAICR-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP Cc1nocc1C[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000997816170 704737129 /nfs/dbraw/zinc/73/71/29/704737129.db2.gz ICRJFFARPDAICR-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)on1 ZINC000997818865 704740075 /nfs/dbraw/zinc/74/00/75/704740075.db2.gz YRFYMWYLRYBFAZ-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)on1 ZINC000997818865 704740076 /nfs/dbraw/zinc/74/00/76/704740076.db2.gz YRFYMWYLRYBFAZ-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)O1 ZINC000997818884 704740346 /nfs/dbraw/zinc/74/03/46/704740346.db2.gz YXWPAOZNOLLUEY-RHSMWYFYSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)O1 ZINC000997818884 704740348 /nfs/dbraw/zinc/74/03/48/704740348.db2.gz YXWPAOZNOLLUEY-RHSMWYFYSA-N 2 2 334.464 1.738 20 0 EDADLP Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC000997839113 704754705 /nfs/dbraw/zinc/75/47/05/704754705.db2.gz FPRBHHSMWNQSFS-HZPDHXFCSA-N 2 2 342.447 1.275 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)CCO1 ZINC000997953653 705082924 /nfs/dbraw/zinc/08/29/24/705082924.db2.gz XFVVPQMSESHMCD-SJLPKXTDSA-N 2 2 348.491 1.917 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000998014954 705197818 /nfs/dbraw/zinc/19/78/18/705197818.db2.gz ATYNYICCFBOMOY-HYVNUMGLSA-N 2 2 349.479 1.613 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000998014954 705197823 /nfs/dbraw/zinc/19/78/23/705197823.db2.gz ATYNYICCFBOMOY-HYVNUMGLSA-N 2 2 349.479 1.613 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998014954 705197826 /nfs/dbraw/zinc/19/78/26/705197826.db2.gz ATYNYICCFBOMOY-HYVNUMGLSA-N 2 2 349.479 1.613 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998014954 705197831 /nfs/dbraw/zinc/19/78/31/705197831.db2.gz ATYNYICCFBOMOY-HYVNUMGLSA-N 2 2 349.479 1.613 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998053016 705256291 /nfs/dbraw/zinc/25/62/91/705256291.db2.gz RLUDVRNXEKIURD-CVEARBPZSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998053016 705256295 /nfs/dbraw/zinc/25/62/95/705256295.db2.gz RLUDVRNXEKIURD-CVEARBPZSA-N 2 2 334.464 1.141 20 0 EDADLP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000998115832 705370352 /nfs/dbraw/zinc/37/03/52/705370352.db2.gz QNPWJOJUQXXYKJ-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(F)cc2)CC1 ZINC001032601630 705391827 /nfs/dbraw/zinc/39/18/27/705391827.db2.gz FEYZTBNFNPCWRS-ROUUACIJSA-N 2 2 331.435 1.953 20 0 EDADLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(F)cc2)CC1 ZINC001032601630 705391828 /nfs/dbraw/zinc/39/18/28/705391828.db2.gz FEYZTBNFNPCWRS-ROUUACIJSA-N 2 2 331.435 1.953 20 0 EDADLP COc1ccc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000998183061 705482156 /nfs/dbraw/zinc/48/21/56/705482156.db2.gz MPCFAXPQINISJX-UHFFFAOYSA-N 2 2 343.431 1.384 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001032611842 705584978 /nfs/dbraw/zinc/58/49/78/705584978.db2.gz RPOSGQPGIBUNJT-OKZBNKHCSA-N 2 2 330.476 1.761 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001032611842 705584979 /nfs/dbraw/zinc/58/49/79/705584979.db2.gz RPOSGQPGIBUNJT-OKZBNKHCSA-N 2 2 330.476 1.761 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000998246090 705593269 /nfs/dbraw/zinc/59/32/69/705593269.db2.gz WIOUGRHSKIZGOB-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)no1 ZINC000998269917 705646598 /nfs/dbraw/zinc/64/65/98/705646598.db2.gz QZIFFPBGYPPVHM-UHFFFAOYSA-N 2 2 346.435 1.165 20 0 EDADLP CCCc1noc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000998298445 705701931 /nfs/dbraw/zinc/70/19/31/705701931.db2.gz YJMAXXUIOGWIMF-UHFFFAOYSA-N 2 2 346.435 1.247 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032636584 705994260 /nfs/dbraw/zinc/99/42/60/705994260.db2.gz MKTKGTWENJOIDI-MWDXBVQZSA-N 2 2 328.460 1.999 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032636584 705994262 /nfs/dbraw/zinc/99/42/62/705994262.db2.gz MKTKGTWENJOIDI-MWDXBVQZSA-N 2 2 328.460 1.999 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1C ZINC000999038069 706453660 /nfs/dbraw/zinc/45/36/60/706453660.db2.gz DBWNVRLMNDMVCA-AWEZNQCLSA-N 2 2 330.436 1.165 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1)c1cnccn1 ZINC000999042751 706483533 /nfs/dbraw/zinc/48/35/33/706483533.db2.gz GCQWORUFUFFTHH-KGLIPLIRSA-N 2 2 328.420 1.474 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999142913 706555910 /nfs/dbraw/zinc/55/59/10/706555910.db2.gz DELXENPXYHAQES-CABCVRRESA-N 2 2 349.479 1.585 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC000999142913 706555912 /nfs/dbraw/zinc/55/59/12/706555912.db2.gz DELXENPXYHAQES-CABCVRRESA-N 2 2 349.479 1.585 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000999142594 706556125 /nfs/dbraw/zinc/55/61/25/706556125.db2.gz BKILUTBQZQXFGS-HUUCEWRRSA-N 2 2 349.479 1.585 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000999142594 706556128 /nfs/dbraw/zinc/55/61/28/706556128.db2.gz BKILUTBQZQXFGS-HUUCEWRRSA-N 2 2 349.479 1.585 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1csnn1 ZINC000999346858 706858670 /nfs/dbraw/zinc/85/86/70/706858670.db2.gz GSYZYFQQHAFUBS-STQMWFEESA-N 2 2 337.493 1.664 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000999475327 706984221 /nfs/dbraw/zinc/98/42/21/706984221.db2.gz WRTCITKQKQEHGU-UHFFFAOYSA-N 2 2 336.827 1.081 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000999550281 707049756 /nfs/dbraw/zinc/04/97/56/707049756.db2.gz VNDDWJCUVJHDFF-ZIAGYGMSSA-N 2 2 345.472 1.683 20 0 EDADLP CCc1nocc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005013315 707117510 /nfs/dbraw/zinc/11/75/10/707117510.db2.gz YWXIDAAGDFBZCH-YOEHRIQHSA-N 2 2 345.447 1.993 20 0 EDADLP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000999699186 707226864 /nfs/dbraw/zinc/22/68/64/707226864.db2.gz VLLIIRDJVRERIC-UHFFFAOYSA-N 2 2 345.451 1.078 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001033264829 707287004 /nfs/dbraw/zinc/28/70/04/707287004.db2.gz DFXNDYSEKMUATN-CQSZACIVSA-N 2 2 333.461 1.689 20 0 EDADLP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004833615 707403718 /nfs/dbraw/zinc/40/37/18/707403718.db2.gz LCGRRNMTAQFBQF-ZBFHGGJFSA-N 2 2 344.463 1.635 20 0 EDADLP CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033296829 707408151 /nfs/dbraw/zinc/40/81/51/707408151.db2.gz BADZNVFMSQAJHA-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033296829 707408153 /nfs/dbraw/zinc/40/81/53/707408153.db2.gz BADZNVFMSQAJHA-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033296829 707408155 /nfs/dbraw/zinc/40/81/55/707408155.db2.gz BADZNVFMSQAJHA-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001033296829 707408164 /nfs/dbraw/zinc/40/81/64/707408164.db2.gz BADZNVFMSQAJHA-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)n1cc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC000999839021 707411379 /nfs/dbraw/zinc/41/13/79/707411379.db2.gz XWALBIFFXYDCLK-HNNXBMFYSA-N 2 2 345.451 1.226 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000999836036 707471357 /nfs/dbraw/zinc/47/13/57/707471357.db2.gz KSLSVLUQPVDOCN-INIZCTEOSA-N 2 2 343.431 1.458 20 0 EDADLP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004918161 707621594 /nfs/dbraw/zinc/62/15/94/707621594.db2.gz IYJGLTINQVRGGO-WBVHZDCISA-N 2 2 344.463 1.566 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033210988 707672108 /nfs/dbraw/zinc/67/21/08/707672108.db2.gz ZDUQWNKLVFTGGH-GDBMZVCRSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033210988 707672110 /nfs/dbraw/zinc/67/21/10/707672110.db2.gz ZDUQWNKLVFTGGH-GDBMZVCRSA-N 2 2 343.431 1.475 20 0 EDADLP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004948234 707721612 /nfs/dbraw/zinc/72/16/12/707721612.db2.gz SSGYGPRLXOYZPJ-CJNGLKHVSA-N 2 2 330.436 1.245 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cccs1 ZINC001032733131 707740812 /nfs/dbraw/zinc/74/08/12/707740812.db2.gz LAGKIHFRXVPZCV-GJZGRUSLSA-N 2 2 330.457 1.552 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1cccs1 ZINC001032733131 707740815 /nfs/dbraw/zinc/74/08/15/707740815.db2.gz LAGKIHFRXVPZCV-GJZGRUSLSA-N 2 2 330.457 1.552 20 0 EDADLP C[C@@H]([NH2+]Cc1cccnc1)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004969078 707823912 /nfs/dbraw/zinc/82/39/12/707823912.db2.gz YTFQGYCOBAQETH-ZBFHGGJFSA-N 2 2 327.432 1.907 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)s1 ZINC001033420143 707829909 /nfs/dbraw/zinc/82/99/09/707829909.db2.gz MRHMKCZGWKBSMI-ZFWWWQNUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)s1 ZINC001033420143 707829910 /nfs/dbraw/zinc/82/99/10/707829910.db2.gz MRHMKCZGWKBSMI-ZFWWWQNUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001033420143 707829913 /nfs/dbraw/zinc/82/99/13/707829913.db2.gz MRHMKCZGWKBSMI-ZFWWWQNUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)s1 ZINC001033420143 707829915 /nfs/dbraw/zinc/82/99/15/707829915.db2.gz MRHMKCZGWKBSMI-ZFWWWQNUSA-N 2 2 336.505 1.826 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005009462 707925956 /nfs/dbraw/zinc/92/59/56/707925956.db2.gz NHCZFRHRTPGMMI-DZGCQCFKSA-N 2 2 331.420 1.739 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cncn2C)C1)[NH+]1CCCCCC1 ZINC001033467341 707926057 /nfs/dbraw/zinc/92/60/57/707926057.db2.gz NGVASBOUPPCGSB-IRXDYDNUSA-N 2 2 347.507 1.717 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2cncn2C)C1)[NH+]1CCCCCC1 ZINC001033467341 707926059 /nfs/dbraw/zinc/92/60/59/707926059.db2.gz NGVASBOUPPCGSB-IRXDYDNUSA-N 2 2 347.507 1.717 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033470754 707932858 /nfs/dbraw/zinc/93/28/58/707932858.db2.gz AQNJDZDOCSQANX-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001033470754 707932860 /nfs/dbraw/zinc/93/28/60/707932860.db2.gz AQNJDZDOCSQANX-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032784150 707983198 /nfs/dbraw/zinc/98/31/98/707983198.db2.gz JSESKRDNQHUYGU-JYJNAYRXSA-N 2 2 332.448 1.292 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CC(C)(C)CO1 ZINC001032784150 707983200 /nfs/dbraw/zinc/98/32/00/707983200.db2.gz JSESKRDNQHUYGU-JYJNAYRXSA-N 2 2 332.448 1.292 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2=CCCCC2)C1 ZINC001032795972 708065875 /nfs/dbraw/zinc/06/58/75/708065875.db2.gz XKQXRPJYWYFMET-BZSNNMDCSA-N 2 2 333.476 1.493 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2=CCCCC2)C1 ZINC001032795972 708065876 /nfs/dbraw/zinc/06/58/76/708065876.db2.gz XKQXRPJYWYFMET-BZSNNMDCSA-N 2 2 333.476 1.493 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CCCCC2)C1 ZINC001032795972 708065878 /nfs/dbraw/zinc/06/58/78/708065878.db2.gz XKQXRPJYWYFMET-BZSNNMDCSA-N 2 2 333.476 1.493 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2=CCCCC2)C1 ZINC001032795972 708065880 /nfs/dbraw/zinc/06/58/80/708065880.db2.gz XKQXRPJYWYFMET-BZSNNMDCSA-N 2 2 333.476 1.493 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)o1 ZINC001005182104 708128054 /nfs/dbraw/zinc/12/80/54/708128054.db2.gz CNZVVKXCQRUQAW-QGZVFWFLSA-N 2 2 334.464 1.808 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)o1 ZINC001005182104 708128055 /nfs/dbraw/zinc/12/80/55/708128055.db2.gz CNZVVKXCQRUQAW-QGZVFWFLSA-N 2 2 334.464 1.808 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033586897 708277710 /nfs/dbraw/zinc/27/77/10/708277710.db2.gz CIDXOXMKKTUHTD-SJLPKXTDSA-N 2 2 342.443 1.229 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033586897 708277712 /nfs/dbraw/zinc/27/77/12/708277712.db2.gz CIDXOXMKKTUHTD-SJLPKXTDSA-N 2 2 342.443 1.229 20 0 EDADLP CC(C)[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001001757544 708281146 /nfs/dbraw/zinc/28/11/46/708281146.db2.gz UTFXHWUWBGURFI-GOSISDBHSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001001757544 708281148 /nfs/dbraw/zinc/28/11/48/708281148.db2.gz UTFXHWUWBGURFI-GOSISDBHSA-N 2 2 337.508 1.866 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033591034 708288492 /nfs/dbraw/zinc/28/84/92/708288492.db2.gz SESOWAAVVGBNHS-GJZGRUSLSA-N 2 2 334.464 1.647 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033591034 708288495 /nfs/dbraw/zinc/28/84/95/708288495.db2.gz SESOWAAVVGBNHS-GJZGRUSLSA-N 2 2 334.464 1.647 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nc1 ZINC001001831982 708357705 /nfs/dbraw/zinc/35/77/05/708357705.db2.gz BSTMSQVLJCAOPF-DOTOQJQBSA-N 2 2 345.491 1.311 20 0 EDADLP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nc1 ZINC001001831982 708357709 /nfs/dbraw/zinc/35/77/09/708357709.db2.gz BSTMSQVLJCAOPF-DOTOQJQBSA-N 2 2 345.491 1.311 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001002122566 708637253 /nfs/dbraw/zinc/63/72/53/708637253.db2.gz DUPYHWWIPVMJOS-ZFWWWQNUSA-N 2 2 348.495 1.208 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001002122566 708637255 /nfs/dbraw/zinc/63/72/55/708637255.db2.gz DUPYHWWIPVMJOS-ZFWWWQNUSA-N 2 2 348.495 1.208 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033775279 708675402 /nfs/dbraw/zinc/67/54/02/708675402.db2.gz MNEKUBXSBAWTOJ-IAGOWNOFSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033775279 708675405 /nfs/dbraw/zinc/67/54/05/708675405.db2.gz MNEKUBXSBAWTOJ-IAGOWNOFSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033775279 708675407 /nfs/dbraw/zinc/67/54/07/708675407.db2.gz MNEKUBXSBAWTOJ-IAGOWNOFSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033775279 708675410 /nfs/dbraw/zinc/67/54/10/708675410.db2.gz MNEKUBXSBAWTOJ-IAGOWNOFSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033830461 708852153 /nfs/dbraw/zinc/85/21/53/708852153.db2.gz IQRSORNNHOUKOP-MSOLQXFVSA-N 2 2 345.491 1.185 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033830461 708852156 /nfs/dbraw/zinc/85/21/56/708852156.db2.gz IQRSORNNHOUKOP-MSOLQXFVSA-N 2 2 345.491 1.185 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3nccn3C)C2)CC[N@@H+]1C ZINC001033839259 708869217 /nfs/dbraw/zinc/86/92/17/708869217.db2.gz QZHQSGJJSYBLQI-YESZJQIVSA-N 2 2 347.507 1.573 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3nccn3C)C2)CC[N@H+]1C ZINC001033839259 708869219 /nfs/dbraw/zinc/86/92/19/708869219.db2.gz QZHQSGJJSYBLQI-YESZJQIVSA-N 2 2 347.507 1.573 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](Cc3nccn3C)C2)CC[NH+]1C ZINC001033839259 708869222 /nfs/dbraw/zinc/86/92/22/708869222.db2.gz QZHQSGJJSYBLQI-YESZJQIVSA-N 2 2 347.507 1.573 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](Cc3nccn3C)C2)CC[NH+]1C ZINC001033839259 708869226 /nfs/dbraw/zinc/86/92/26/708869226.db2.gz QZHQSGJJSYBLQI-YESZJQIVSA-N 2 2 347.507 1.573 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002462382 708987339 /nfs/dbraw/zinc/98/73/39/708987339.db2.gz UCTDWGXNOSYVAY-SWLSCSKDSA-N 2 2 347.463 1.683 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002462382 708987340 /nfs/dbraw/zinc/98/73/40/708987340.db2.gz UCTDWGXNOSYVAY-SWLSCSKDSA-N 2 2 347.463 1.683 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001005475791 709112626 /nfs/dbraw/zinc/11/26/26/709112626.db2.gz KPBYYFGGFBQQBK-QGZVFWFLSA-N 2 2 348.495 1.112 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001005475791 709112627 /nfs/dbraw/zinc/11/26/27/709112627.db2.gz KPBYYFGGFBQQBK-QGZVFWFLSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001033939451 709144432 /nfs/dbraw/zinc/14/44/32/709144432.db2.gz AOBSELFESXBUPM-KRWDZBQOSA-N 2 2 347.507 1.668 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001033939451 709144434 /nfs/dbraw/zinc/14/44/34/709144434.db2.gz AOBSELFESXBUPM-KRWDZBQOSA-N 2 2 347.507 1.668 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)nn1C ZINC001002791438 709399233 /nfs/dbraw/zinc/39/92/33/709399233.db2.gz ISGFQBKRDLJTGY-SFHVURJKSA-N 2 2 347.507 1.682 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)nn1C ZINC001002791438 709399234 /nfs/dbraw/zinc/39/92/34/709399234.db2.gz ISGFQBKRDLJTGY-SFHVURJKSA-N 2 2 347.507 1.682 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001002792618 709400888 /nfs/dbraw/zinc/40/08/88/709400888.db2.gz RCXLBFZDQPPMPX-WBVHZDCISA-N 2 2 345.491 1.991 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001002792618 709400891 /nfs/dbraw/zinc/40/08/91/709400891.db2.gz RCXLBFZDQPPMPX-WBVHZDCISA-N 2 2 345.491 1.991 20 0 EDADLP COC(=O)[C@H](C)Oc1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000922016954 709437710 /nfs/dbraw/zinc/43/77/10/709437710.db2.gz KOGMXJWVYLCQGP-DZGCQCFKSA-N 2 2 329.400 1.928 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](Cc2nccs2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034208134 709556263 /nfs/dbraw/zinc/55/62/63/709556263.db2.gz QVTRXRQWYKYISS-CVEARBPZSA-N 2 2 348.516 1.956 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](Cc2nccs2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034208134 709556266 /nfs/dbraw/zinc/55/62/66/709556266.db2.gz QVTRXRQWYKYISS-CVEARBPZSA-N 2 2 348.516 1.956 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cnns3)C2)CC[N@@H+]1C ZINC001034213833 709565794 /nfs/dbraw/zinc/56/57/94/709565794.db2.gz CCIADVHKOGQUFO-UMVBOHGHSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cnns3)C2)CC[N@H+]1C ZINC001034213833 709565797 /nfs/dbraw/zinc/56/57/97/709565797.db2.gz CCIADVHKOGQUFO-UMVBOHGHSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cnns3)C2)CC[NH+]1C ZINC001034213833 709565799 /nfs/dbraw/zinc/56/57/99/709565799.db2.gz CCIADVHKOGQUFO-UMVBOHGHSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cnns3)C2)CC[NH+]1C ZINC001034213833 709565802 /nfs/dbraw/zinc/56/58/02/709565802.db2.gz CCIADVHKOGQUFO-UMVBOHGHSA-N 2 2 337.493 1.349 20 0 EDADLP CO[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034261131 709648636 /nfs/dbraw/zinc/64/86/36/709648636.db2.gz UDNWVQMSENHUHZ-CVEARBPZSA-N 2 2 336.480 1.932 20 0 EDADLP CO[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034261131 709648640 /nfs/dbraw/zinc/64/86/40/709648640.db2.gz UDNWVQMSENHUHZ-CVEARBPZSA-N 2 2 336.480 1.932 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC001034309417 709751148 /nfs/dbraw/zinc/75/11/48/709751148.db2.gz LUTFUUODOBWDFO-CQSZACIVSA-N 2 2 347.419 1.359 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)on1 ZINC001034309417 709751150 /nfs/dbraw/zinc/75/11/50/709751150.db2.gz LUTFUUODOBWDFO-CQSZACIVSA-N 2 2 347.419 1.359 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001045397490 709828954 /nfs/dbraw/zinc/82/89/54/709828954.db2.gz DLNDUWYCTAKRGI-GFCCVEGCSA-N 2 2 337.386 1.240 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCC(F)(F)F)CC2)C1 ZINC001045397490 709828959 /nfs/dbraw/zinc/82/89/59/709828959.db2.gz DLNDUWYCTAKRGI-GFCCVEGCSA-N 2 2 337.386 1.240 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc[nH+]1 ZINC001061233091 709870836 /nfs/dbraw/zinc/87/08/36/709870836.db2.gz FQXSEYCGERPMTQ-IRXDYDNUSA-N 2 2 343.475 1.554 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034384362 709911342 /nfs/dbraw/zinc/91/13/42/709911342.db2.gz DQGHJRSMQICXBR-KRWDZBQOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034384362 709911343 /nfs/dbraw/zinc/91/13/43/709911343.db2.gz DQGHJRSMQICXBR-KRWDZBQOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC001034393879 709928475 /nfs/dbraw/zinc/92/84/75/709928475.db2.gz HHJKMFRXUHSFIW-MAUKXSAKSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC001034393879 709928477 /nfs/dbraw/zinc/92/84/77/709928477.db2.gz HHJKMFRXUHSFIW-MAUKXSAKSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001034393879 709928482 /nfs/dbraw/zinc/92/84/82/709928482.db2.gz HHJKMFRXUHSFIW-MAUKXSAKSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001034393879 709928484 /nfs/dbraw/zinc/92/84/84/709928484.db2.gz HHJKMFRXUHSFIW-MAUKXSAKSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC001034399346 709942013 /nfs/dbraw/zinc/94/20/13/709942013.db2.gz SSISGSAWRQCJFS-YJBOKZPZSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001034399346 709942015 /nfs/dbraw/zinc/94/20/15/709942015.db2.gz SSISGSAWRQCJFS-YJBOKZPZSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001034399346 709942020 /nfs/dbraw/zinc/94/20/20/709942020.db2.gz SSISGSAWRQCJFS-YJBOKZPZSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001034399346 709942023 /nfs/dbraw/zinc/94/20/23/709942023.db2.gz SSISGSAWRQCJFS-YJBOKZPZSA-N 2 2 345.491 1.740 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCCO2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001003193156 710128002 /nfs/dbraw/zinc/12/80/02/710128002.db2.gz LOXGGKOEFCUBDB-RDJZCZTQSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1nccnc1C[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485724 710131546 /nfs/dbraw/zinc/13/15/46/710131546.db2.gz UCAQOINOJIVHHS-HNNXBMFYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1nccnc1C[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485724 710131548 /nfs/dbraw/zinc/13/15/48/710131548.db2.gz UCAQOINOJIVHHS-HNNXBMFYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525867 710177001 /nfs/dbraw/zinc/17/70/01/710177001.db2.gz QRIYCYDVRVDFQQ-HZPDHXFCSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525867 710177003 /nfs/dbraw/zinc/17/70/03/710177003.db2.gz QRIYCYDVRVDFQQ-HZPDHXFCSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525867 710177008 /nfs/dbraw/zinc/17/70/08/710177008.db2.gz QRIYCYDVRVDFQQ-HZPDHXFCSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525867 710177010 /nfs/dbraw/zinc/17/70/10/710177010.db2.gz QRIYCYDVRVDFQQ-HZPDHXFCSA-N 2 2 331.464 1.207 20 0 EDADLP COc1nccc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034528019 710181862 /nfs/dbraw/zinc/18/18/62/710181862.db2.gz ILJLGLQULPIPRU-HNNXBMFYSA-N 2 2 347.463 1.052 20 0 EDADLP COc1nccc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034528019 710181866 /nfs/dbraw/zinc/18/18/66/710181866.db2.gz ILJLGLQULPIPRU-HNNXBMFYSA-N 2 2 347.463 1.052 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC001003424089 710339364 /nfs/dbraw/zinc/33/93/64/710339364.db2.gz OSPMIYNHIVAIIE-ZDUSSCGKSA-N 2 2 349.479 1.894 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001003493023 710375562 /nfs/dbraw/zinc/37/55/62/710375562.db2.gz KANGFJRSRJIOLK-QGZVFWFLSA-N 2 2 341.471 1.570 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001003493023 710375564 /nfs/dbraw/zinc/37/55/64/710375564.db2.gz KANGFJRSRJIOLK-QGZVFWFLSA-N 2 2 341.471 1.570 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ncccn3)CC2)C1 ZINC001003483094 710377515 /nfs/dbraw/zinc/37/75/15/710377515.db2.gz PJWUSOPDTGOKBQ-MRXNPFEDSA-N 2 2 345.491 1.679 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ncccn3)CC2)C1 ZINC001003483094 710377518 /nfs/dbraw/zinc/37/75/18/710377518.db2.gz PJWUSOPDTGOKBQ-MRXNPFEDSA-N 2 2 345.491 1.679 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC001034673646 710611964 /nfs/dbraw/zinc/61/19/64/710611964.db2.gz DNNBWLZLSUSMQC-KKUMJFAQSA-N 2 2 349.479 1.633 20 0 EDADLP CCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC001034673646 710611966 /nfs/dbraw/zinc/61/19/66/710611966.db2.gz DNNBWLZLSUSMQC-KKUMJFAQSA-N 2 2 349.479 1.633 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCOC3)CC2)c[nH+]1 ZINC001034672349 710619746 /nfs/dbraw/zinc/61/97/46/710619746.db2.gz PSZQPFFTKHTLMS-BRWVUGGUSA-N 2 2 348.491 1.980 20 0 EDADLP CCn1nncc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001003840821 710651516 /nfs/dbraw/zinc/65/15/16/710651516.db2.gz FRKQBPVLELMBQZ-UHFFFAOYSA-N 2 2 348.495 1.111 20 0 EDADLP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1)C(N)=O ZINC001034688846 710746277 /nfs/dbraw/zinc/74/62/77/710746277.db2.gz AFFMVUIMILDJFP-IHRRRGAJSA-N 2 2 343.431 1.229 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001032944438 710920944 /nfs/dbraw/zinc/92/09/44/710920944.db2.gz KSSAWQSBCHTMMQ-GDBMZVCRSA-N 2 2 342.443 1.955 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001032944438 710920949 /nfs/dbraw/zinc/92/09/49/710920949.db2.gz KSSAWQSBCHTMMQ-GDBMZVCRSA-N 2 2 342.443 1.955 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001032944438 710920955 /nfs/dbraw/zinc/92/09/55/710920955.db2.gz KSSAWQSBCHTMMQ-GDBMZVCRSA-N 2 2 342.443 1.955 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2nc3ccccc3o2)C1 ZINC001032944438 710920958 /nfs/dbraw/zinc/92/09/58/710920958.db2.gz KSSAWQSBCHTMMQ-GDBMZVCRSA-N 2 2 342.443 1.955 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744368 710959649 /nfs/dbraw/zinc/95/96/49/710959649.db2.gz SKYAXSUGAXHOHX-WKILWMFISA-N 2 2 327.432 1.873 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744591 710960571 /nfs/dbraw/zinc/96/05/71/710960571.db2.gz XVQIQZSKUXADTN-HDJSIYSDSA-N 2 2 330.436 1.386 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC001034778768 711082725 /nfs/dbraw/zinc/08/27/25/711082725.db2.gz YTBCAZQWDDNPGL-QBPKDAKJSA-N 2 2 348.491 1.795 20 0 EDADLP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001034787184 711093391 /nfs/dbraw/zinc/09/33/91/711093391.db2.gz YUHMWCBINGDDMX-JOCQHMNTSA-N 2 2 332.408 1.169 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001034794629 711111486 /nfs/dbraw/zinc/11/14/86/711111486.db2.gz LLVOHIUSZLEILJ-KCPJHIHWSA-N 2 2 346.435 1.661 20 0 EDADLP Cc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC001061365143 711123920 /nfs/dbraw/zinc/12/39/20/711123920.db2.gz ZDZYIQQHTMRMMQ-HOTGVXAUSA-N 2 2 345.491 1.945 20 0 EDADLP Cc1cc(N2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC001061365143 711123926 /nfs/dbraw/zinc/12/39/26/711123926.db2.gz ZDZYIQQHTMRMMQ-HOTGVXAUSA-N 2 2 345.491 1.945 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001003968120 711138895 /nfs/dbraw/zinc/13/88/95/711138895.db2.gz QZPVIOBZXZAGRE-AWEZNQCLSA-N 2 2 346.475 1.974 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001003968120 711138899 /nfs/dbraw/zinc/13/88/99/711138899.db2.gz QZPVIOBZXZAGRE-AWEZNQCLSA-N 2 2 346.475 1.974 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001034801272 711140922 /nfs/dbraw/zinc/14/09/22/711140922.db2.gz JKGLEZMVOOEEPR-OVWQWFNUSA-N 2 2 332.448 1.327 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC001034801988 711143703 /nfs/dbraw/zinc/14/37/03/711143703.db2.gz SJMWLLDCKDKZLK-KZNAEPCWSA-N 2 2 348.491 1.841 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003977816 711150960 /nfs/dbraw/zinc/15/09/60/711150960.db2.gz XYAASJKHLGMXNU-OAHLLOKOSA-N 2 2 334.464 1.360 20 0 EDADLP O=C(NC1CC[NH+](Cc2coc(C3CC3)n2)CC1)C12CC[NH+](CC1)C2 ZINC001003984689 711187760 /nfs/dbraw/zinc/18/77/60/711187760.db2.gz HASRVADXWKRICN-UHFFFAOYSA-N 2 2 344.459 1.728 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034823984 711226173 /nfs/dbraw/zinc/22/61/73/711226173.db2.gz JTRIHHQDIZBNLB-DYVFJYSZSA-N 2 2 343.431 1.173 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034823984 711226174 /nfs/dbraw/zinc/22/61/74/711226174.db2.gz JTRIHHQDIZBNLB-DYVFJYSZSA-N 2 2 343.431 1.173 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001034885754 711290428 /nfs/dbraw/zinc/29/04/28/711290428.db2.gz YPFLVQZJGUCEKW-ZIAGYGMSSA-N 2 2 349.479 1.542 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001034885754 711290429 /nfs/dbraw/zinc/29/04/29/711290429.db2.gz YPFLVQZJGUCEKW-ZIAGYGMSSA-N 2 2 349.479 1.542 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001034972147 711451794 /nfs/dbraw/zinc/45/17/94/711451794.db2.gz CGKRNZMEXGVMNK-CABCVRRESA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC001034972147 711451796 /nfs/dbraw/zinc/45/17/96/711451796.db2.gz CGKRNZMEXGVMNK-CABCVRRESA-N 2 2 349.479 1.758 20 0 EDADLP C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609983 712063498 /nfs/dbraw/zinc/06/34/98/712063498.db2.gz MAPDUTXZVARVDA-MAUKXSAKSA-N 2 2 348.491 1.437 20 0 EDADLP C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001004609983 712063500 /nfs/dbraw/zinc/06/35/00/712063500.db2.gz MAPDUTXZVARVDA-MAUKXSAKSA-N 2 2 348.491 1.437 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)nc(C2CC2)[nH+]1 ZINC001061543161 712310320 /nfs/dbraw/zinc/31/03/20/712310320.db2.gz VVRFNXDELDPGFP-GDBMZVCRSA-N 2 2 343.475 1.699 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc(C2CC2)[nH+]1 ZINC001061543161 712310321 /nfs/dbraw/zinc/31/03/21/712310321.db2.gz VVRFNXDELDPGFP-GDBMZVCRSA-N 2 2 343.475 1.699 20 0 EDADLP Cn1ncc2c1ncnc2NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050954497 214073433 /nfs/dbraw/zinc/07/34/33/214073433.db2.gz FVSZFXJNFVMDAJ-UHFFFAOYSA-N 2 2 329.452 1.334 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050954497 214073435 /nfs/dbraw/zinc/07/34/35/214073435.db2.gz FVSZFXJNFVMDAJ-UHFFFAOYSA-N 3 2 329.452 1.334 20 0 EDADLP COCC[N@H+](C)CCCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000557748107 306233817 /nfs/dbraw/zinc/23/38/17/306233817.db2.gz JDUPXNZKJGRICL-UHFFFAOYSA-N 2 2 336.480 1.560 20 0 EDADLP COCC[N@@H+](C)CCCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000557748107 306233818 /nfs/dbraw/zinc/23/38/18/306233818.db2.gz JDUPXNZKJGRICL-UHFFFAOYSA-N 2 2 336.480 1.560 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000374410013 282209973 /nfs/dbraw/zinc/20/99/73/282209973.db2.gz FTXMJQQPUJDLSB-QKPAOTATSA-N 2 2 332.448 1.471 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000303028381 539355305 /nfs/dbraw/zinc/35/53/05/539355305.db2.gz SWGUVRGDTICWBH-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000303028381 539355309 /nfs/dbraw/zinc/35/53/09/539355309.db2.gz SWGUVRGDTICWBH-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159290233 529879746 /nfs/dbraw/zinc/87/97/46/529879746.db2.gz FOGKHWVRLIEKNK-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159290233 529879747 /nfs/dbraw/zinc/87/97/47/529879747.db2.gz FOGKHWVRLIEKNK-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159290233 529879749 /nfs/dbraw/zinc/87/97/49/529879749.db2.gz FOGKHWVRLIEKNK-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159290233 529879750 /nfs/dbraw/zinc/87/97/50/529879750.db2.gz FOGKHWVRLIEKNK-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+](CCO)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000155309619 529919950 /nfs/dbraw/zinc/91/99/50/529919950.db2.gz FRDZBIROXCTEQT-UHFFFAOYSA-N 2 2 328.416 1.401 20 0 EDADLP C[N@@H+](CCO)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000155309619 529919951 /nfs/dbraw/zinc/91/99/51/529919951.db2.gz FRDZBIROXCTEQT-UHFFFAOYSA-N 2 2 328.416 1.401 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000357213848 282345526 /nfs/dbraw/zinc/34/55/26/282345526.db2.gz SMNRHMLABPLVOQ-QZTJIDSGSA-N 2 2 347.528 1.809 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000357213848 282345527 /nfs/dbraw/zinc/34/55/27/282345527.db2.gz SMNRHMLABPLVOQ-QZTJIDSGSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000357213848 282345530 /nfs/dbraw/zinc/34/55/30/282345530.db2.gz SMNRHMLABPLVOQ-QZTJIDSGSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000357213848 282345531 /nfs/dbraw/zinc/34/55/31/282345531.db2.gz SMNRHMLABPLVOQ-QZTJIDSGSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4nccn4c3)CC2)CC1 ZINC000171923100 530049950 /nfs/dbraw/zinc/04/99/50/530049950.db2.gz HZJORBAGICIOSZ-UHFFFAOYSA-N 2 2 341.459 1.623 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4[nH+]ccn4c3)CC2)CC1 ZINC000171923100 530049951 /nfs/dbraw/zinc/04/99/51/530049951.db2.gz HZJORBAGICIOSZ-UHFFFAOYSA-N 3 2 341.459 1.623 20 0 EDADLP CN(CC(=O)Nc1nccs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376800199 282359512 /nfs/dbraw/zinc/35/95/12/282359512.db2.gz XPOYBFDXMQUJPP-CQSZACIVSA-N 2 2 337.493 1.182 20 0 EDADLP CN(CC(=O)Nc1nccs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376800199 282359516 /nfs/dbraw/zinc/35/95/16/282359516.db2.gz XPOYBFDXMQUJPP-CQSZACIVSA-N 2 2 337.493 1.182 20 0 EDADLP C[N@H+](CC(=O)Nc1nccs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376800199 282359517 /nfs/dbraw/zinc/35/95/17/282359517.db2.gz XPOYBFDXMQUJPP-CQSZACIVSA-N 2 2 337.493 1.182 20 0 EDADLP C[N@@H+](CC(=O)Nc1nccs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376800199 282359520 /nfs/dbraw/zinc/35/95/20/282359520.db2.gz XPOYBFDXMQUJPP-CQSZACIVSA-N 2 2 337.493 1.182 20 0 EDADLP C[C@@H](NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)c1[nH]cc[nH+]1 ZINC000560698283 306277670 /nfs/dbraw/zinc/27/76/70/306277670.db2.gz IJPAIDZIROUZDL-ZBFHGGJFSA-N 2 2 327.432 1.576 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)[nH+]c2c1 ZINC000561176952 306283914 /nfs/dbraw/zinc/28/39/14/306283914.db2.gz DNVBVHMNKHJOPG-GASCZTMLSA-N 2 2 327.432 1.784 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@H]1OC ZINC000561553696 306289346 /nfs/dbraw/zinc/28/93/46/306289346.db2.gz SELXFZYAWZLLAI-HYEGPXJVSA-N 2 2 347.459 1.796 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000562373730 306296768 /nfs/dbraw/zinc/29/67/68/306296768.db2.gz QZFHQRPVXBZIQV-HNNXBMFYSA-N 2 2 346.475 1.474 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000562373730 306296769 /nfs/dbraw/zinc/29/67/69/306296769.db2.gz QZFHQRPVXBZIQV-HNNXBMFYSA-N 2 2 346.475 1.474 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000562630494 306303671 /nfs/dbraw/zinc/30/36/71/306303671.db2.gz JJSSITKKJBABDS-BEFAXECRSA-N 2 2 342.443 1.717 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000562630494 306303672 /nfs/dbraw/zinc/30/36/72/306303672.db2.gz JJSSITKKJBABDS-BEFAXECRSA-N 2 2 342.443 1.717 20 0 EDADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181021964 234063279 /nfs/dbraw/zinc/06/32/79/234063279.db2.gz XGZVBLRAYNIUQS-HZPDHXFCSA-N 2 2 347.459 1.279 20 0 EDADLP C/C=C\C[C@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000588491938 539991560 /nfs/dbraw/zinc/99/15/60/539991560.db2.gz ASKSHHCDNVPRRD-MJSXRHKHSA-N 2 2 338.496 1.171 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984356 306314774 /nfs/dbraw/zinc/31/47/74/306314774.db2.gz JNTSHGCGAHURRO-UYAOXDASSA-N 3 2 331.504 1.596 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984356 306314775 /nfs/dbraw/zinc/31/47/75/306314775.db2.gz JNTSHGCGAHURRO-UYAOXDASSA-N 3 2 331.504 1.596 20 0 EDADLP C[NH+](C[C@H](O)C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984356 306314776 /nfs/dbraw/zinc/31/47/76/306314776.db2.gz JNTSHGCGAHURRO-UYAOXDASSA-N 3 2 331.504 1.596 20 0 EDADLP C[NH+](C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000562984356 306314777 /nfs/dbraw/zinc/31/47/77/306314777.db2.gz JNTSHGCGAHURRO-UYAOXDASSA-N 3 2 331.504 1.596 20 0 EDADLP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@@H]3OCC[N@@H+](C)[C@H]3C1)C2 ZINC000341570603 283026214 /nfs/dbraw/zinc/02/62/14/283026214.db2.gz PQRKZPGORJIRGN-QHEDDYRISA-N 2 2 336.480 1.116 20 0 EDADLP C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=O)N1CC[C@@H]3OCC[N@H+](C)[C@H]3C1)C2 ZINC000341570603 283026216 /nfs/dbraw/zinc/02/62/16/283026216.db2.gz PQRKZPGORJIRGN-QHEDDYRISA-N 2 2 336.480 1.116 20 0 EDADLP C[NH+]1CCO[C@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC000341570603 283026217 /nfs/dbraw/zinc/02/62/17/283026217.db2.gz PQRKZPGORJIRGN-QHEDDYRISA-N 2 2 336.480 1.116 20 0 EDADLP C[NH+]1CCO[C@H]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC000341570603 283026219 /nfs/dbraw/zinc/02/62/19/283026219.db2.gz PQRKZPGORJIRGN-QHEDDYRISA-N 2 2 336.480 1.116 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000276441751 540061064 /nfs/dbraw/zinc/06/10/64/540061064.db2.gz APBAQTZCKXKGTB-UHFFFAOYSA-N 2 2 328.416 1.491 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CCc3c[nH+]c[nH]3)nc2)C1 ZINC000281306025 540074537 /nfs/dbraw/zinc/07/45/37/540074537.db2.gz UCKZRPRVFZYTHB-HNNXBMFYSA-N 2 2 328.420 1.516 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CCc3c[nH]c[nH+]3)nc2)C1 ZINC000281306025 540074542 /nfs/dbraw/zinc/07/45/42/540074542.db2.gz UCKZRPRVFZYTHB-HNNXBMFYSA-N 2 2 328.420 1.516 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000280303205 540071435 /nfs/dbraw/zinc/07/14/35/540071435.db2.gz BLLPYNKPIGEXMF-UHFFFAOYSA-N 2 2 348.369 1.456 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000280303205 540071440 /nfs/dbraw/zinc/07/14/40/540071440.db2.gz BLLPYNKPIGEXMF-UHFFFAOYSA-N 2 2 348.369 1.456 20 0 EDADLP COCC[NH2+]C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000563268955 306325577 /nfs/dbraw/zinc/32/55/77/306325577.db2.gz PPDRVXKRCNTGTJ-UHFFFAOYSA-N 3 2 326.529 1.103 20 0 EDADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1c[nH+]cn1C ZINC000290059348 540089072 /nfs/dbraw/zinc/08/90/72/540089072.db2.gz AUJVMLJGOZMAAF-UHFFFAOYSA-N 2 2 342.447 1.802 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000290803264 540090491 /nfs/dbraw/zinc/09/04/91/540090491.db2.gz YVCRFNSWZMAJTQ-INIZCTEOSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000290803264 540090493 /nfs/dbraw/zinc/09/04/93/540090493.db2.gz YVCRFNSWZMAJTQ-INIZCTEOSA-N 2 2 327.432 1.884 20 0 EDADLP CCCCNC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352714686 535279981 /nfs/dbraw/zinc/27/99/81/535279981.db2.gz MPYXZRFGXZYOLC-UHFFFAOYSA-N 2 2 346.519 1.652 20 0 EDADLP Cn1ncc2c1nc[nH+]c2N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180165288 540120433 /nfs/dbraw/zinc/12/04/33/540120433.db2.gz HEBXZADJEUNPEE-UHFFFAOYSA-N 2 2 344.463 1.692 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000385723000 540189184 /nfs/dbraw/zinc/18/91/84/540189184.db2.gz NJHRGNZVNNWLTM-IEBWSBKVSA-N 3 2 344.503 1.261 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000385723000 540189187 /nfs/dbraw/zinc/18/91/87/540189187.db2.gz NJHRGNZVNNWLTM-IEBWSBKVSA-N 3 2 344.503 1.261 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCOC3)CC2)CC1 ZINC000051777740 138135512 /nfs/dbraw/zinc/13/55/12/138135512.db2.gz CCTCDYHKIIEGDQ-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cccc(O)c3)CC2)CC1 ZINC000051761569 138135769 /nfs/dbraw/zinc/13/57/69/138135769.db2.gz FVUSRNHXGFXQDK-UHFFFAOYSA-N 2 2 346.475 1.750 20 0 EDADLP CSCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074320708 138230651 /nfs/dbraw/zinc/23/06/51/138230651.db2.gz ZKFVRTLBJNQBFR-UHFFFAOYSA-N 2 2 342.553 1.989 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCOC(C)(C)C1 ZINC000075701790 138243741 /nfs/dbraw/zinc/24/37/41/138243741.db2.gz DKIOVJJMKHGONN-AEFFLSMTSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCOC(C)(C)C1 ZINC000075701790 138243742 /nfs/dbraw/zinc/24/37/42/138243742.db2.gz DKIOVJJMKHGONN-AEFFLSMTSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOC(C)(C)C1 ZINC000075701790 138243743 /nfs/dbraw/zinc/24/37/43/138243743.db2.gz DKIOVJJMKHGONN-AEFFLSMTSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOC(C)(C)C1 ZINC000075701790 138243744 /nfs/dbraw/zinc/24/37/44/138243744.db2.gz DKIOVJJMKHGONN-AEFFLSMTSA-N 2 2 345.487 1.876 20 0 EDADLP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089947318 138276512 /nfs/dbraw/zinc/27/65/12/138276512.db2.gz SYOKNROOBZTKAI-UHFFFAOYSA-N 2 2 343.431 1.457 20 0 EDADLP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089947318 138276513 /nfs/dbraw/zinc/27/65/13/138276513.db2.gz SYOKNROOBZTKAI-UHFFFAOYSA-N 2 2 343.431 1.457 20 0 EDADLP Cc1ccc([C@H](O)C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131578347 138362290 /nfs/dbraw/zinc/36/22/90/138362290.db2.gz QJKDJPCDIBMZGJ-QZTJIDSGSA-N 2 2 331.460 1.443 20 0 EDADLP Cc1ccc([C@H](O)C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000131578347 138362292 /nfs/dbraw/zinc/36/22/92/138362292.db2.gz QJKDJPCDIBMZGJ-QZTJIDSGSA-N 2 2 331.460 1.443 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)CO)CC2)cc1 ZINC000132090949 138371330 /nfs/dbraw/zinc/37/13/30/138371330.db2.gz HVLYVNUMWBCJBC-MRXNPFEDSA-N 2 2 349.475 1.042 20 0 EDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)CO)CC2)cc1 ZINC000132090949 138371332 /nfs/dbraw/zinc/37/13/32/138371332.db2.gz HVLYVNUMWBCJBC-MRXNPFEDSA-N 2 2 349.475 1.042 20 0 EDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)CO)CC2)cc1 ZINC000132090949 138371334 /nfs/dbraw/zinc/37/13/34/138371334.db2.gz HVLYVNUMWBCJBC-MRXNPFEDSA-N 2 2 349.475 1.042 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2c(c1)OCO2 ZINC000563669041 306344437 /nfs/dbraw/zinc/34/44/37/306344437.db2.gz FLHFFWMPJMFVKO-UKRRQHHQSA-N 2 2 331.416 1.818 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc2c(c1)OCO2 ZINC000563669041 306344438 /nfs/dbraw/zinc/34/44/38/306344438.db2.gz FLHFFWMPJMFVKO-UKRRQHHQSA-N 2 2 331.416 1.818 20 0 EDADLP Cn1c2c(cccc2F)[nH+]c1N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000563662482 306344119 /nfs/dbraw/zinc/34/41/19/306344119.db2.gz DVFBVNLQHXDPPF-GFCCVEGCSA-N 2 2 331.395 1.113 20 0 EDADLP C[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[NH+]1CCOCC1 ZINC000424126376 295945330 /nfs/dbraw/zinc/94/53/30/295945330.db2.gz BLOIOVHUCKKGLE-DOTOQJQBSA-N 2 2 325.497 1.901 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[NH+]1CCSCC1 ZINC000153896969 138506067 /nfs/dbraw/zinc/50/60/67/138506067.db2.gz QNRFORVZGSDBAV-GJZGRUSLSA-N 2 2 336.505 1.639 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000563947004 306352972 /nfs/dbraw/zinc/35/29/72/306352972.db2.gz JQXXQYFVTGEUBC-CQSZACIVSA-N 2 2 339.390 1.219 20 0 EDADLP CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000162116074 138644899 /nfs/dbraw/zinc/64/48/99/138644899.db2.gz OHRLNCZZDWZOLA-HOTGVXAUSA-N 2 2 334.464 1.115 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000564788002 306364717 /nfs/dbraw/zinc/36/47/17/306364717.db2.gz WUKQQTYBPQKXRN-RDUPMXASSA-N 2 2 331.464 1.613 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000564788002 306364718 /nfs/dbraw/zinc/36/47/18/306364718.db2.gz WUKQQTYBPQKXRN-RDUPMXASSA-N 2 2 331.464 1.613 20 0 EDADLP CC[C@H](C(=O)N1[C@@H](C)C[NH+](CC)C[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000565209940 306378532 /nfs/dbraw/zinc/37/85/32/306378532.db2.gz UISYVSMNRSLFFG-MWDXBVQZSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@H](C(=O)N1[C@@H](C)C[NH+](CC)C[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000565209940 306378533 /nfs/dbraw/zinc/37/85/33/306378533.db2.gz UISYVSMNRSLFFG-MWDXBVQZSA-N 2 2 325.497 1.817 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCCC(=O)N2Cc3ccccc3C2)n1C ZINC000414345713 304109344 /nfs/dbraw/zinc/10/93/44/304109344.db2.gz FDXVAHPVMFFLCB-UHFFFAOYSA-N 2 2 341.459 1.898 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F)c2cc1C ZINC000565833724 306392910 /nfs/dbraw/zinc/39/29/10/306392910.db2.gz QCVAZRPFFWDSOS-SWLSCSKDSA-N 2 2 345.365 1.917 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)[C@@H]2CCCCN12 ZINC000566128443 306399071 /nfs/dbraw/zinc/39/90/71/306399071.db2.gz DCCDUYFDNKSPTL-FHWLQOOXSA-N 2 2 343.471 1.149 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)[C@@H]2CCCCN12 ZINC000566128443 306399072 /nfs/dbraw/zinc/39/90/72/306399072.db2.gz DCCDUYFDNKSPTL-FHWLQOOXSA-N 2 2 343.471 1.149 20 0 EDADLP COc1ccc([C@@H](NC(=O)NC[C@@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000566727228 306426348 /nfs/dbraw/zinc/42/63/48/306426348.db2.gz CTOGDVPGLGGNAD-GOEBONIOSA-N 2 2 343.431 1.569 20 0 EDADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000415103564 304160230 /nfs/dbraw/zinc/16/02/30/304160230.db2.gz KOVGJRSWUZFRTN-KRWDZBQOSA-N 2 2 341.521 1.977 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110609557 220048007 /nfs/dbraw/zinc/04/80/07/220048007.db2.gz VZCZETZEYFNHOK-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110609557 220048009 /nfs/dbraw/zinc/04/80/09/220048009.db2.gz VZCZETZEYFNHOK-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)[NH+]2CCCC2)c1 ZINC000237283754 139046614 /nfs/dbraw/zinc/04/66/14/139046614.db2.gz WBERVABMAWVYFB-JKSUJKDBSA-N 2 2 335.473 1.611 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000237417987 139050589 /nfs/dbraw/zinc/05/05/89/139050589.db2.gz UGQBBPQMPDGQJW-CPUCHLNUSA-N 2 2 349.500 1.575 20 0 EDADLP NC(=O)c1ccsc1NC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243531 220122066 /nfs/dbraw/zinc/12/20/66/220122066.db2.gz NRCUJPYMINZKNB-UHFFFAOYSA-N 2 2 347.444 1.709 20 0 EDADLP C[C@@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000237505584 139052910 /nfs/dbraw/zinc/05/29/10/139052910.db2.gz GQMVITDQGVRRGR-SJORKVTESA-N 2 2 345.487 1.533 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2csc(C[NH3+])n2)cn1 ZINC000237645248 139056832 /nfs/dbraw/zinc/05/68/32/139056832.db2.gz QHGJRGSTTLPPFK-UHFFFAOYSA-N 2 2 328.401 1.421 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@H]([NH3+])c3ccccc3)CC2)nc(C)[nH+]1 ZINC000237786239 139060369 /nfs/dbraw/zinc/06/03/69/139060369.db2.gz MGDRRDSOSCFPNN-GOSISDBHSA-N 2 2 339.443 1.878 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccccc1 ZINC000237829629 139061360 /nfs/dbraw/zinc/06/13/60/139061360.db2.gz REBUCFKXGVXYOR-MRXNPFEDSA-N 2 2 326.400 1.234 20 0 EDADLP CC[N@H+](CC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1Cl ZINC000424031368 284387952 /nfs/dbraw/zinc/38/79/52/284387952.db2.gz ZWVUJCIGXINPOR-OAHLLOKOSA-N 2 2 339.867 1.738 20 0 EDADLP CC[N@@H+](CC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1Cl ZINC000424031368 284387953 /nfs/dbraw/zinc/38/79/53/284387953.db2.gz ZWVUJCIGXINPOR-OAHLLOKOSA-N 2 2 339.867 1.738 20 0 EDADLP [NH3+][C@@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000237869855 139062392 /nfs/dbraw/zinc/06/23/92/139062392.db2.gz OPEDFBOXOZCGTM-MSOLQXFVSA-N 2 2 331.460 1.790 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000238046795 139067545 /nfs/dbraw/zinc/06/75/45/139067545.db2.gz OTJINGWDPLZGTA-INIZCTEOSA-N 2 2 328.416 1.121 20 0 EDADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000245382695 139071289 /nfs/dbraw/zinc/07/12/89/139071289.db2.gz KQXIODGFFNMFNU-DLBZAZTESA-N 2 2 345.491 1.180 20 0 EDADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000245382695 139071290 /nfs/dbraw/zinc/07/12/90/139071290.db2.gz KQXIODGFFNMFNU-DLBZAZTESA-N 2 2 345.491 1.180 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cc(F)cc(F)c2)C[C@@H](C)O1 ZINC000567682874 306458977 /nfs/dbraw/zinc/45/89/77/306458977.db2.gz ATSXMNWNOKKKLE-XNJGSVPQSA-N 2 2 328.403 1.567 20 0 EDADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000245908974 139089321 /nfs/dbraw/zinc/08/93/21/139089321.db2.gz UUTMQLLYKSWQFY-QLPKVWCKSA-N 2 2 325.497 1.628 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000246494982 139110723 /nfs/dbraw/zinc/11/07/23/139110723.db2.gz SRUZZHDHTBHZBY-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000246494982 139110724 /nfs/dbraw/zinc/11/07/24/139110724.db2.gz SRUZZHDHTBHZBY-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246591285 139114206 /nfs/dbraw/zinc/11/42/06/139114206.db2.gz IYCCTTRPQDVDJU-ULQDDVLXSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246591285 139114207 /nfs/dbraw/zinc/11/42/07/139114207.db2.gz IYCCTTRPQDVDJU-ULQDDVLXSA-N 2 2 325.497 1.724 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000246777597 139121144 /nfs/dbraw/zinc/12/11/44/139121144.db2.gz IHRDPYDZMANXIL-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000246777597 139121145 /nfs/dbraw/zinc/12/11/45/139121145.db2.gz IHRDPYDZMANXIL-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000246777597 139121146 /nfs/dbraw/zinc/12/11/46/139121146.db2.gz IHRDPYDZMANXIL-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000246777597 139121147 /nfs/dbraw/zinc/12/11/47/139121147.db2.gz IHRDPYDZMANXIL-DLBZAZTESA-N 2 2 344.459 1.429 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000248041301 139157481 /nfs/dbraw/zinc/15/74/81/139157481.db2.gz SYWMAYNBZURBOS-BZUAXINKSA-N 2 2 344.463 1.812 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248063611 139157902 /nfs/dbraw/zinc/15/79/02/139157902.db2.gz MAZVVJHLGWCTOI-PKOBYXMFSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248063611 139157903 /nfs/dbraw/zinc/15/79/03/139157903.db2.gz MAZVVJHLGWCTOI-PKOBYXMFSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248063611 139157904 /nfs/dbraw/zinc/15/79/04/139157904.db2.gz MAZVVJHLGWCTOI-PKOBYXMFSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248063611 139157905 /nfs/dbraw/zinc/15/79/05/139157905.db2.gz MAZVVJHLGWCTOI-PKOBYXMFSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261685358 139217462 /nfs/dbraw/zinc/21/74/62/139217462.db2.gz HGPWFSURGVEVDY-YOEHRIQHSA-N 2 2 332.448 1.041 20 0 EDADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000261842605 139230877 /nfs/dbraw/zinc/23/08/77/139230877.db2.gz NYBQPUONSACCFX-CYBMUJFWSA-N 2 2 325.840 1.600 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000261947208 139239189 /nfs/dbraw/zinc/23/91/89/139239189.db2.gz VVRNNJQRKNXJJU-AWEZNQCLSA-N 2 2 336.867 1.566 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000261947208 139239190 /nfs/dbraw/zinc/23/91/90/139239190.db2.gz VVRNNJQRKNXJJU-AWEZNQCLSA-N 2 2 336.867 1.566 20 0 EDADLP COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1OC ZINC000261973796 139241060 /nfs/dbraw/zinc/24/10/60/139241060.db2.gz ZHRVMEDRHXCUDV-CQSZACIVSA-N 2 2 339.867 1.837 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)[C@H]1CCOC1 ZINC000262196395 139259108 /nfs/dbraw/zinc/25/91/08/139259108.db2.gz MPDZECFZVTYJAA-IRXDYDNUSA-N 2 2 328.416 1.049 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)C(F)(F)F ZINC000416007991 251046804 /nfs/dbraw/zinc/04/68/04/251046804.db2.gz NFIZXIVXGJQYEY-LLVKDONJSA-N 2 2 333.358 1.853 20 0 EDADLP CC(C)(CNC(=O)N(CC[NH3+])CCc1ccccc1)[NH+]1CCOCC1 ZINC000416832094 251112492 /nfs/dbraw/zinc/11/24/92/251112492.db2.gz UIJWUEWDDSCJAO-UHFFFAOYSA-N 2 2 348.491 1.310 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416872337 251113762 /nfs/dbraw/zinc/11/37/62/251113762.db2.gz ZHHVWUGWWNWDOY-GOSISDBHSA-N 2 2 346.475 1.412 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1ccsc1 ZINC000417019285 251134785 /nfs/dbraw/zinc/13/47/85/251134785.db2.gz QYKHLTIOKKXGIY-CHWSQXEVSA-N 2 2 346.447 1.895 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)[NH+]2CCOCC2)c1 ZINC000416995070 251122545 /nfs/dbraw/zinc/12/25/45/251122545.db2.gz KKVLIYBBHDHUSI-ROUUACIJSA-N 2 2 346.475 1.405 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416996511 251122995 /nfs/dbraw/zinc/12/29/95/251122995.db2.gz WVCKKXLPRCUXCF-KFWWJZLASA-N 2 2 349.479 1.350 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416998214 251124523 /nfs/dbraw/zinc/12/45/23/251124523.db2.gz YIIJJUBPWSVZJW-AAVRWANBSA-N 2 2 335.452 1.230 20 0 EDADLP [NH3+][C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000417584006 251197851 /nfs/dbraw/zinc/19/78/51/251197851.db2.gz LSTQSDCQNKVRIH-STQMWFEESA-N 2 2 338.402 1.672 20 0 EDADLP [NH3+][C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000417584006 251197856 /nfs/dbraw/zinc/19/78/56/251197856.db2.gz LSTQSDCQNKVRIH-STQMWFEESA-N 2 2 338.402 1.672 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417661110 251217975 /nfs/dbraw/zinc/21/79/75/251217975.db2.gz OQDKSQDHNRZSRW-BXUZGUMPSA-N 2 2 326.391 1.571 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000262441477 139279300 /nfs/dbraw/zinc/27/93/00/139279300.db2.gz UXIFLZGBZVGTOU-MAUKXSAKSA-N 2 2 331.460 1.340 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417785462 251269725 /nfs/dbraw/zinc/26/97/25/251269725.db2.gz CXFSDNMUHMWUGW-HUUCEWRRSA-N 2 2 344.450 1.795 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000417785462 251269729 /nfs/dbraw/zinc/26/97/29/251269729.db2.gz CXFSDNMUHMWUGW-HUUCEWRRSA-N 2 2 344.450 1.795 20 0 EDADLP CN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945459 251317873 /nfs/dbraw/zinc/31/78/73/251317873.db2.gz QZPDIRMVVBSSEZ-KBPBESRZSA-N 2 2 328.819 1.824 20 0 EDADLP CN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945459 251317877 /nfs/dbraw/zinc/31/78/77/251317877.db2.gz QZPDIRMVVBSSEZ-KBPBESRZSA-N 2 2 328.819 1.824 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418437556 251369956 /nfs/dbraw/zinc/36/99/56/251369956.db2.gz YIAHRSLVOZRIHI-MSOLQXFVSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418437556 251369959 /nfs/dbraw/zinc/36/99/59/251369959.db2.gz YIAHRSLVOZRIHI-MSOLQXFVSA-N 2 2 346.475 1.439 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000418704522 251390364 /nfs/dbraw/zinc/39/03/64/251390364.db2.gz CZIADLIRNNMEGQ-CQSZACIVSA-N 2 2 338.427 1.399 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000418714022 251393495 /nfs/dbraw/zinc/39/34/95/251393495.db2.gz YIWCBTHEGBOHBE-UONOGXRCSA-N 2 2 334.468 1.476 20 0 EDADLP [NH3+]C[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CC1 ZINC000262579667 139287969 /nfs/dbraw/zinc/28/79/69/139287969.db2.gz IGWIUFSOCZJYKN-INIZCTEOSA-N 2 2 341.415 1.379 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000418526668 251376005 /nfs/dbraw/zinc/37/60/05/251376005.db2.gz PUXMJVNDIXKIIP-OAHLLOKOSA-N 2 2 336.867 1.777 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[NH2+]CC1CC1 ZINC000262638015 139291964 /nfs/dbraw/zinc/29/19/64/139291964.db2.gz IPILDDTXFSKVBE-QGZVFWFLSA-N 2 2 345.487 1.736 20 0 EDADLP CC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420322721 251670967 /nfs/dbraw/zinc/67/09/67/251670967.db2.gz FDKLLSWKUDHDTE-MRXNPFEDSA-N 2 2 345.443 1.515 20 0 EDADLP CC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420322721 251670974 /nfs/dbraw/zinc/67/09/74/251670974.db2.gz FDKLLSWKUDHDTE-MRXNPFEDSA-N 2 2 345.443 1.515 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1CCC[NH2+]1 ZINC000422896541 252015563 /nfs/dbraw/zinc/01/55/63/252015563.db2.gz AIUXNIWJMGJRFI-QGTPRVQTSA-N 2 2 331.460 1.826 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000423062876 252030343 /nfs/dbraw/zinc/03/03/43/252030343.db2.gz VAXXBTLJMPYAGZ-DZJNRPSUSA-N 2 2 333.476 1.869 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423319973 252046455 /nfs/dbraw/zinc/04/64/55/252046455.db2.gz FWPICAJLYXNPBH-HNNXBMFYSA-N 2 2 328.420 1.199 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423350930 252049443 /nfs/dbraw/zinc/04/94/43/252049443.db2.gz YCWRLTTYWNWIGL-CYBMUJFWSA-N 2 2 328.420 1.504 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000423415032 252054045 /nfs/dbraw/zinc/05/40/45/252054045.db2.gz DDFBUIGBLWPULN-CZUORRHYSA-N 2 2 341.477 1.014 20 0 EDADLP [NH3+]CCCC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423779867 252070947 /nfs/dbraw/zinc/07/09/47/252070947.db2.gz VJDGZMLTKMPAGY-UHFFFAOYSA-N 2 2 327.432 1.255 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423932415 252105276 /nfs/dbraw/zinc/10/52/76/252105276.db2.gz OJFCEAYUZLEDHT-JPLJXNOCSA-N 2 2 343.471 1.516 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423932415 252105278 /nfs/dbraw/zinc/10/52/78/252105278.db2.gz OJFCEAYUZLEDHT-JPLJXNOCSA-N 2 2 343.471 1.516 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000423794809 252076702 /nfs/dbraw/zinc/07/67/02/252076702.db2.gz JXOINSCWHUCUMD-SFHVURJKSA-N 2 2 345.487 1.518 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423803030 252081085 /nfs/dbraw/zinc/08/10/85/252081085.db2.gz QDMPFFLEMXCYTG-OAHLLOKOSA-N 2 2 332.448 1.945 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423840020 252086832 /nfs/dbraw/zinc/08/68/32/252086832.db2.gz YKZSAYDWSDTVTO-MCIONIFRSA-N 2 2 329.803 1.314 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423840020 252086833 /nfs/dbraw/zinc/08/68/33/252086833.db2.gz YKZSAYDWSDTVTO-MCIONIFRSA-N 2 2 329.803 1.314 20 0 EDADLP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000424127935 252134054 /nfs/dbraw/zinc/13/40/54/252134054.db2.gz DVQVTICEXWRKGP-CHWSQXEVSA-N 2 2 328.420 1.620 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424132473 252136110 /nfs/dbraw/zinc/13/61/10/252136110.db2.gz KQYPBDJRPMVOPB-HNNXBMFYSA-N 2 2 337.387 1.641 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000424328792 252195591 /nfs/dbraw/zinc/19/55/91/252195591.db2.gz FSQOCDCGRFLNRP-HZPDHXFCSA-N 2 2 346.475 1.526 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000424328759 252195931 /nfs/dbraw/zinc/19/59/31/252195931.db2.gz FRZUKEBLWAKCFG-HZPDHXFCSA-N 2 2 331.464 1.870 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3CCO)CC2)c1 ZINC000426210660 252325517 /nfs/dbraw/zinc/32/55/17/252325517.db2.gz MXVNFIYXQBCQQW-LJQANCHMSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@H]3CCO)CC2)c1 ZINC000426210660 252325520 /nfs/dbraw/zinc/32/55/20/252325520.db2.gz MXVNFIYXQBCQQW-LJQANCHMSA-N 2 2 345.487 1.486 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263232566 139329928 /nfs/dbraw/zinc/32/99/28/139329928.db2.gz NPUFIFOWYNFWOE-GFCCVEGCSA-N 2 2 326.347 1.122 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(C)[nH+]1 ZINC000415696534 304257902 /nfs/dbraw/zinc/25/79/02/304257902.db2.gz ZPXGIVDHIYVWMP-JKSUJKDBSA-N 2 2 338.411 1.590 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000415779918 304269138 /nfs/dbraw/zinc/26/91/38/304269138.db2.gz BXTQUWUYFDDDAD-ZDUSSCGKSA-N 2 2 342.399 1.974 20 0 EDADLP CN(C)c1cc(NC(=O)NC(C)(C)C[NH3+])[nH+]cc1Br ZINC000415786063 304270375 /nfs/dbraw/zinc/27/03/75/304270375.db2.gz IFDAKCAYUYDFMP-UHFFFAOYSA-N 2 2 330.230 1.769 20 0 EDADLP CCn1nccc1/C=C/C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000492192005 255161550 /nfs/dbraw/zinc/16/15/50/255161550.db2.gz XAPVKBWQYBUGIB-VOTSOKGWSA-N 2 2 333.480 1.401 20 0 EDADLP CCn1nccc1/C=C/C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000492192005 255161551 /nfs/dbraw/zinc/16/15/51/255161551.db2.gz XAPVKBWQYBUGIB-VOTSOKGWSA-N 2 2 333.480 1.401 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000492297592 255168676 /nfs/dbraw/zinc/16/86/76/255168676.db2.gz IBFFMPDVYCNZIB-ONEGZZNKSA-N 2 2 332.448 1.487 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2c(Cl)nc3ccccn32)[C@@H](C[NH3+])C1 ZINC000493194006 255195679 /nfs/dbraw/zinc/19/56/79/255195679.db2.gz YMMMJMAMTBOJOV-FYJFLYSWSA-N 2 2 333.823 1.102 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2c(Cl)nc3ccccn32)[C@@H](C[NH3+])C1 ZINC000493194006 255195680 /nfs/dbraw/zinc/19/56/80/255195680.db2.gz YMMMJMAMTBOJOV-FYJFLYSWSA-N 2 2 333.823 1.102 20 0 EDADLP O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000494466243 255251791 /nfs/dbraw/zinc/25/17/91/255251791.db2.gz OZUQVUDDLYFUDJ-UYAOXDASSA-N 2 2 343.471 1.488 20 0 EDADLP CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000496291648 255376176 /nfs/dbraw/zinc/37/61/76/255376176.db2.gz IUFHENODENIJKM-GOSISDBHSA-N 2 2 347.459 1.791 20 0 EDADLP CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000496291648 255376177 /nfs/dbraw/zinc/37/61/77/255376177.db2.gz IUFHENODENIJKM-GOSISDBHSA-N 2 2 347.459 1.791 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c[nH+]2)CC1 ZINC000496469344 255395459 /nfs/dbraw/zinc/39/54/59/255395459.db2.gz LMGFLMRSTZTMCI-ZIAGYGMSSA-N 2 2 333.436 1.652 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)c3csc(C[NH3+])n3)cn2)CC1 ZINC000570448378 306542840 /nfs/dbraw/zinc/54/28/40/306542840.db2.gz XYSBRMGGHYNENF-UHFFFAOYSA-N 2 2 332.433 1.001 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3)C2)CC1 ZINC000118835093 221191434 /nfs/dbraw/zinc/19/14/34/221191434.db2.gz MCLUWYWJIJFKBF-SFHVURJKSA-N 2 2 330.476 1.645 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3)C2)CC1 ZINC000118835093 221191437 /nfs/dbraw/zinc/19/14/37/221191437.db2.gz MCLUWYWJIJFKBF-SFHVURJKSA-N 2 2 330.476 1.645 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000119123929 221249213 /nfs/dbraw/zinc/24/92/13/221249213.db2.gz HIHKUXRJZQNWRI-DZGCQCFKSA-N 2 2 339.505 1.953 20 0 EDADLP COc1cccc(CC(=O)N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000119505421 221336121 /nfs/dbraw/zinc/33/61/21/221336121.db2.gz BUCHYTSYVORSJX-SFHVURJKSA-N 2 2 345.487 1.866 20 0 EDADLP COc1cccc(CC(=O)N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000119505421 221336124 /nfs/dbraw/zinc/33/61/24/221336124.db2.gz BUCHYTSYVORSJX-SFHVURJKSA-N 2 2 345.487 1.866 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000119538079 221342727 /nfs/dbraw/zinc/34/27/27/221342727.db2.gz JAYZLIDXLGCGBZ-HNNXBMFYSA-N 2 2 330.432 1.937 20 0 EDADLP C[C@H](c1cccc(NC(=O)N2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000264293822 139394490 /nfs/dbraw/zinc/39/44/90/139394490.db2.gz ZJBSFBSDSQNFSX-OAHLLOKOSA-N 2 2 332.448 1.859 20 0 EDADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000264318789 139396863 /nfs/dbraw/zinc/39/68/63/139396863.db2.gz UWPKOZQXYUGHMU-HOTGVXAUSA-N 2 2 342.443 1.770 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000264296210 139394683 /nfs/dbraw/zinc/39/46/83/139394683.db2.gz VVQVJSAIWPEGIM-KGLIPLIRSA-N 2 2 335.452 1.056 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000269986957 140029247 /nfs/dbraw/zinc/02/92/47/140029247.db2.gz ROSKICJKGPZUPE-OAGGEKHMSA-N 2 2 329.448 1.586 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000269986957 140029248 /nfs/dbraw/zinc/02/92/48/140029248.db2.gz ROSKICJKGPZUPE-OAGGEKHMSA-N 2 2 329.448 1.586 20 0 EDADLP O[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000270539893 140119524 /nfs/dbraw/zinc/11/95/24/140119524.db2.gz XCARJKKUWOUBCI-IYWMVGAKSA-N 2 2 342.483 1.953 20 0 EDADLP O[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C[N@H+]1CCc2ccccc2C1 ZINC000270539893 140119525 /nfs/dbraw/zinc/11/95/25/140119525.db2.gz XCARJKKUWOUBCI-IYWMVGAKSA-N 2 2 342.483 1.953 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)o2)CC1 ZINC000271713416 140338367 /nfs/dbraw/zinc/33/83/67/140338367.db2.gz BOAKZEAAJCKQPT-UHFFFAOYSA-N 2 2 338.404 1.573 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)nc1 ZINC000271894871 140368372 /nfs/dbraw/zinc/36/83/72/140368372.db2.gz FPYJMARTMRGZMW-LJQANCHMSA-N 2 2 348.491 1.317 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nc1 ZINC000271894871 140368374 /nfs/dbraw/zinc/36/83/74/140368374.db2.gz FPYJMARTMRGZMW-LJQANCHMSA-N 2 2 348.491 1.317 20 0 EDADLP COc1cc(NC(=O)CCn2cc[nH+]c2)ccc1OCC[NH+](C)C ZINC000416343766 304311542 /nfs/dbraw/zinc/31/15/42/304311542.db2.gz SZTJWOZMFCRGNL-UHFFFAOYSA-N 2 2 332.404 1.861 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)C[C@H]1[NH3+] ZINC000331870625 141091828 /nfs/dbraw/zinc/09/18/28/141091828.db2.gz MNDWHYBSTLKTOI-TTZDDIAXSA-N 2 2 347.463 1.184 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CCCO1 ZINC000331921145 141098340 /nfs/dbraw/zinc/09/83/40/141098340.db2.gz CFMUQQTYZIJEDJ-OWCLPIDISA-N 2 2 332.510 1.433 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CCCO1 ZINC000331921145 141098341 /nfs/dbraw/zinc/09/83/41/141098341.db2.gz CFMUQQTYZIJEDJ-OWCLPIDISA-N 2 2 332.510 1.433 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc[nH+]1 ZINC000332446659 141183528 /nfs/dbraw/zinc/18/35/28/141183528.db2.gz DXUNIAFNSOXCBM-HIFRSBDPSA-N 2 2 332.452 1.099 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc[nH+]1 ZINC000332446659 141183529 /nfs/dbraw/zinc/18/35/29/141183529.db2.gz DXUNIAFNSOXCBM-HIFRSBDPSA-N 2 2 332.452 1.099 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1C ZINC000332599746 141212111 /nfs/dbraw/zinc/21/21/11/141212111.db2.gz GPBGPDYOAIBRJC-GOEBONIOSA-N 2 2 338.496 1.950 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1C ZINC000332599746 141212112 /nfs/dbraw/zinc/21/21/12/141212112.db2.gz GPBGPDYOAIBRJC-GOEBONIOSA-N 2 2 338.496 1.950 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1C ZINC000332599746 141212113 /nfs/dbraw/zinc/21/21/13/141212113.db2.gz GPBGPDYOAIBRJC-GOEBONIOSA-N 2 2 338.496 1.950 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1C ZINC000332599746 141212114 /nfs/dbraw/zinc/21/21/14/141212114.db2.gz GPBGPDYOAIBRJC-GOEBONIOSA-N 2 2 338.496 1.950 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000332874471 141242204 /nfs/dbraw/zinc/24/22/04/141242204.db2.gz JIZGRCXLVGGSQB-HOTGVXAUSA-N 2 2 347.463 1.377 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000332999152 141248603 /nfs/dbraw/zinc/24/86/03/141248603.db2.gz ANXZEXIHOAURGL-ZBFHGGJFSA-N 2 2 331.464 1.936 20 0 EDADLP Cc1nc2cncc(N3CC[NH+](CC[C@@H]4CCC[N@H+]4C)CC3)n2n1 ZINC000333010973 141249800 /nfs/dbraw/zinc/24/98/00/141249800.db2.gz FVDNHJOEYGMYQQ-HNNXBMFYSA-N 2 2 329.452 1.039 20 0 EDADLP Cc1nc2cncc(N3CC[NH+](CC[C@@H]4CCC[N@@H+]4C)CC3)n2n1 ZINC000333010973 141249801 /nfs/dbraw/zinc/24/98/01/141249801.db2.gz FVDNHJOEYGMYQQ-HNNXBMFYSA-N 2 2 329.452 1.039 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333124762 141267947 /nfs/dbraw/zinc/26/79/47/141267947.db2.gz AYRQAXXGLBQGFE-KLHDSHLOSA-N 2 2 329.448 1.348 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333164324 141274391 /nfs/dbraw/zinc/27/43/91/141274391.db2.gz OMNWQECRKAIGFH-AWEZNQCLSA-N 2 2 333.436 1.490 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000333303351 141295628 /nfs/dbraw/zinc/29/56/28/141295628.db2.gz QKULGHDHNHKBAS-MJBXVCDLSA-N 2 2 343.518 1.631 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000333629405 141347467 /nfs/dbraw/zinc/34/74/67/141347467.db2.gz GIDYIBYVJMECBB-HUUCEWRRSA-N 2 2 327.432 1.881 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000333679798 141356083 /nfs/dbraw/zinc/35/60/83/141356083.db2.gz ZMKVBSOVEKADHV-LTTZEQNMSA-N 2 2 338.402 1.841 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000333679798 141356084 /nfs/dbraw/zinc/35/60/84/141356084.db2.gz ZMKVBSOVEKADHV-LTTZEQNMSA-N 2 2 338.402 1.841 20 0 EDADLP c1nc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)nn1-c1ccccc1 ZINC000333832434 141390295 /nfs/dbraw/zinc/39/02/95/141390295.db2.gz JPNVXHKYEAGYRE-SJORKVTESA-N 2 2 339.443 1.468 20 0 EDADLP c1nc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)nn1-c1ccccc1 ZINC000333832434 141390297 /nfs/dbraw/zinc/39/02/97/141390297.db2.gz JPNVXHKYEAGYRE-SJORKVTESA-N 2 2 339.443 1.468 20 0 EDADLP COC[C@H]1CC[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000339281650 142003319 /nfs/dbraw/zinc/00/33/19/142003319.db2.gz HXODBWKZACOSPT-FUHWJXTLSA-N 2 2 331.460 1.613 20 0 EDADLP COC[C@H]1CC[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000339281650 142003320 /nfs/dbraw/zinc/00/33/20/142003320.db2.gz HXODBWKZACOSPT-FUHWJXTLSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCO1 ZINC000340186586 142296056 /nfs/dbraw/zinc/29/60/56/142296056.db2.gz SKLJHHOTZCVPTO-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCO1 ZINC000340186586 142296058 /nfs/dbraw/zinc/29/60/58/142296058.db2.gz SKLJHHOTZCVPTO-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@H]1CCCC[N@@H+]1C(C)C ZINC000340291385 142331342 /nfs/dbraw/zinc/33/13/42/142331342.db2.gz PWMIGYHVAHQBPJ-QGZVFWFLSA-N 2 2 341.496 1.057 20 0 EDADLP COC(=O)CN(CC[NH+]1CCOCC1)C[C@H]1CCCC[N@H+]1C(C)C ZINC000340291385 142331343 /nfs/dbraw/zinc/33/13/43/142331343.db2.gz PWMIGYHVAHQBPJ-QGZVFWFLSA-N 2 2 341.496 1.057 20 0 EDADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)CC[N@@H+](C2CCC2)C1 ZINC000344717081 143002196 /nfs/dbraw/zinc/00/21/96/143002196.db2.gz AAIVQRUTWLTMON-INIZCTEOSA-N 2 2 335.492 1.574 20 0 EDADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)CC[N@H+](C2CCC2)C1 ZINC000344717081 143002197 /nfs/dbraw/zinc/00/21/97/143002197.db2.gz AAIVQRUTWLTMON-INIZCTEOSA-N 2 2 335.492 1.574 20 0 EDADLP C[C@@H](Cn1cccn1)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000345154049 143058516 /nfs/dbraw/zinc/05/85/16/143058516.db2.gz HMEAZWOZTHUJLQ-KRWDZBQOSA-N 3 2 328.464 1.469 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000346132962 143171004 /nfs/dbraw/zinc/17/10/04/143171004.db2.gz BCJCTDUCOPBVDK-MRXNPFEDSA-N 2 2 332.448 1.276 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000346132962 143171005 /nfs/dbraw/zinc/17/10/05/143171005.db2.gz BCJCTDUCOPBVDK-MRXNPFEDSA-N 2 2 332.448 1.276 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)C1)[C@H]1CCC[NH2+]1 ZINC000346657913 143227493 /nfs/dbraw/zinc/22/74/93/143227493.db2.gz HHGNHSKCVPBSRQ-TZMCWYRMSA-N 2 2 341.406 1.358 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)C1)[C@H]1CCC[NH2+]1 ZINC000346657913 143227494 /nfs/dbraw/zinc/22/74/94/143227494.db2.gz HHGNHSKCVPBSRQ-TZMCWYRMSA-N 2 2 341.406 1.358 20 0 EDADLP CN(CC1CC1)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346947059 143264944 /nfs/dbraw/zinc/26/49/44/143264944.db2.gz ZKSLTVGPOWRHSA-VQIMIIECSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346947059 143264945 /nfs/dbraw/zinc/26/49/45/143264945.db2.gz ZKSLTVGPOWRHSA-VQIMIIECSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346947059 143264946 /nfs/dbraw/zinc/26/49/46/143264946.db2.gz ZKSLTVGPOWRHSA-VQIMIIECSA-N 2 2 347.507 1.603 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346947059 143264947 /nfs/dbraw/zinc/26/49/47/143264947.db2.gz ZKSLTVGPOWRHSA-VQIMIIECSA-N 2 2 347.507 1.603 20 0 EDADLP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)sc1Br ZINC000347176697 143291368 /nfs/dbraw/zinc/29/13/68/143291368.db2.gz QQSBRGKKBZFPLN-UHFFFAOYSA-N 2 2 346.294 1.683 20 0 EDADLP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)sc1Br ZINC000347176697 143291369 /nfs/dbraw/zinc/29/13/69/143291369.db2.gz QQSBRGKKBZFPLN-UHFFFAOYSA-N 2 2 346.294 1.683 20 0 EDADLP C[C@H](CO)[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCCC1 ZINC000347207937 143294897 /nfs/dbraw/zinc/29/48/97/143294897.db2.gz SOGUDQZPCRFYOM-MRXNPFEDSA-N 2 2 349.475 1.549 20 0 EDADLP C[C@H](CO)[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCCC1 ZINC000347207937 143294898 /nfs/dbraw/zinc/29/48/98/143294898.db2.gz SOGUDQZPCRFYOM-MRXNPFEDSA-N 2 2 349.475 1.549 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000348019439 143391840 /nfs/dbraw/zinc/39/18/40/143391840.db2.gz YKMFJLAJHNLHBV-FQEVSTJZSA-N 2 2 346.519 1.913 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2n[nH]c3c2CCC3)([NH+]2CCCCC2)CC1 ZINC000369688195 155136804 /nfs/dbraw/zinc/13/68/04/155136804.db2.gz JRRLYQSDGTWQNL-UHFFFAOYSA-N 2 2 345.491 1.579 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000573055166 306609444 /nfs/dbraw/zinc/60/94/44/306609444.db2.gz YEILHPPLIMLMOW-CQSZACIVSA-N 2 2 338.371 1.161 20 0 EDADLP CSC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369789519 155176840 /nfs/dbraw/zinc/17/68/40/155176840.db2.gz IIFNLKVIEDYUKV-ZDUSSCGKSA-N 2 2 328.526 1.596 20 0 EDADLP CSC(C)(C)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369789519 155176842 /nfs/dbraw/zinc/17/68/42/155176842.db2.gz IIFNLKVIEDYUKV-ZDUSSCGKSA-N 2 2 328.526 1.596 20 0 EDADLP CCOC1CC2(C1)CC[N@H+](CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)C2 ZINC000495807524 286018341 /nfs/dbraw/zinc/01/83/41/286018341.db2.gz AWLASEYYBIHBFF-NKELODKYSA-N 2 2 349.475 1.752 20 0 EDADLP CCOC1CC2(C1)CC[N@@H+](CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)C2 ZINC000495807524 286018342 /nfs/dbraw/zinc/01/83/42/286018342.db2.gz AWLASEYYBIHBFF-NKELODKYSA-N 2 2 349.475 1.752 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416818639 304349698 /nfs/dbraw/zinc/34/96/98/304349698.db2.gz RDSIAWXWJSYMOD-MSOLQXFVSA-N 2 2 348.491 1.704 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416818639 304349701 /nfs/dbraw/zinc/34/97/01/304349701.db2.gz RDSIAWXWJSYMOD-MSOLQXFVSA-N 2 2 348.491 1.704 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000573355100 306619108 /nfs/dbraw/zinc/61/91/08/306619108.db2.gz LMJJQBURXOHQHQ-OWCLPIDISA-N 2 2 346.541 1.158 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000416860738 304352815 /nfs/dbraw/zinc/35/28/15/304352815.db2.gz IRBIBYGSBLUUHC-QGZVFWFLSA-N 2 2 332.448 1.055 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000416891353 304353510 /nfs/dbraw/zinc/35/35/10/304353510.db2.gz UQJCYMKGQLSHLG-SJLPKXTDSA-N 2 2 348.491 1.795 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N(C)CC[NH3+])[NH+]2CCOCC2)s1 ZINC000417825508 292198969 /nfs/dbraw/zinc/19/89/69/292198969.db2.gz LTEWJSGURLHDSY-CYBMUJFWSA-N 2 2 326.466 1.030 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2ccncc2OC[C@H]2CCOC2)CC1 ZINC000352580331 149072206 /nfs/dbraw/zinc/07/22/06/149072206.db2.gz LDTXHIMQLNFOTG-INIZCTEOSA-N 2 2 349.475 1.697 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000416900764 304354471 /nfs/dbraw/zinc/35/44/71/304354471.db2.gz AQLMOEMEVJEHJT-XUJVJEKNSA-N 2 2 331.420 1.553 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])CC(C)C)[NH+]2CCOCC2)s1 ZINC000353226012 149331652 /nfs/dbraw/zinc/33/16/52/149331652.db2.gz CDSPMGFHJOQXBT-CABCVRRESA-N 2 2 339.505 1.919 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1(C)C ZINC000353949128 149582764 /nfs/dbraw/zinc/58/27/64/149582764.db2.gz ZUJWFWOJZRKCIU-QZYNEKALSA-N 2 2 337.508 1.719 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1(C)C ZINC000353949128 149582767 /nfs/dbraw/zinc/58/27/67/149582767.db2.gz ZUJWFWOJZRKCIU-QZYNEKALSA-N 2 2 337.508 1.719 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c[nH+]2)C[C@H](C)O1 ZINC000416977806 304359584 /nfs/dbraw/zinc/35/95/84/304359584.db2.gz BTLFSAQWTYENDF-DVOMOZLQSA-N 2 2 347.463 1.232 20 0 EDADLP Cc1ccc(O)c(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000354934606 150040828 /nfs/dbraw/zinc/04/08/28/150040828.db2.gz LDHDVVCDLCYWFQ-HUUCEWRRSA-N 2 2 347.438 1.874 20 0 EDADLP Cc1ccc(O)c(C[N@H+](C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)n1 ZINC000354934606 150040830 /nfs/dbraw/zinc/04/08/30/150040830.db2.gz LDHDVVCDLCYWFQ-HUUCEWRRSA-N 2 2 347.438 1.874 20 0 EDADLP C[C@H](CO)CCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355065286 150099360 /nfs/dbraw/zinc/09/93/60/150099360.db2.gz IGYSRCXKPRFYED-JKSUJKDBSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@H](CO)CCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355065286 150099362 /nfs/dbraw/zinc/09/93/62/150099362.db2.gz IGYSRCXKPRFYED-JKSUJKDBSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)C1 ZINC000369977138 155261962 /nfs/dbraw/zinc/26/19/62/155261962.db2.gz YUABMBTYVGUAPX-SQNIBIBYSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000416982092 304361161 /nfs/dbraw/zinc/36/11/61/304361161.db2.gz BBPAMCRNELAFBH-LSDHHAIUSA-N 2 2 327.432 1.823 20 0 EDADLP [NH3+]CC[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(F)F ZINC000416985532 304361787 /nfs/dbraw/zinc/36/17/87/304361787.db2.gz FGFZNVMDEXJJJC-AWEZNQCLSA-N 2 2 337.374 1.713 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417028623 304362224 /nfs/dbraw/zinc/36/22/24/304362224.db2.gz CXPHSACFEMCOBS-AEFFLSMTSA-N 2 2 348.491 1.877 20 0 EDADLP CCn1cc(C[N@H+](CCO)Cc2cn(-c3cc[nH+]cc3)nc2C)cn1 ZINC000355465591 150280334 /nfs/dbraw/zinc/28/03/34/150280334.db2.gz BJKRRKHSOGNSQE-UHFFFAOYSA-N 2 2 340.431 1.787 20 0 EDADLP CCn1cc(C[N@@H+](CCO)Cc2cn(-c3cc[nH+]cc3)nc2C)cn1 ZINC000355465591 150280338 /nfs/dbraw/zinc/28/03/38/150280338.db2.gz BJKRRKHSOGNSQE-UHFFFAOYSA-N 2 2 340.431 1.787 20 0 EDADLP [NH3+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000357359595 151007581 /nfs/dbraw/zinc/00/75/81/151007581.db2.gz ZMEBEFRGGIRIQL-SFHVURJKSA-N 2 2 331.460 1.862 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000357594101 151078252 /nfs/dbraw/zinc/07/82/52/151078252.db2.gz DJLIVBLBSRMULH-KFWWJZLASA-N 2 2 333.480 1.934 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357594101 151078254 /nfs/dbraw/zinc/07/82/54/151078254.db2.gz DJLIVBLBSRMULH-KFWWJZLASA-N 2 2 333.480 1.934 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000357615972 151086548 /nfs/dbraw/zinc/08/65/48/151086548.db2.gz VVIZPKMZOJXSEP-OWCLPIDISA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000357615972 151086550 /nfs/dbraw/zinc/08/65/50/151086550.db2.gz VVIZPKMZOJXSEP-OWCLPIDISA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH+]cn2)C1 ZINC000357615972 151086553 /nfs/dbraw/zinc/08/65/53/151086553.db2.gz VVIZPKMZOJXSEP-OWCLPIDISA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)[nH+]cn2)C1 ZINC000357615972 151086554 /nfs/dbraw/zinc/08/65/54/151086554.db2.gz VVIZPKMZOJXSEP-OWCLPIDISA-N 2 2 331.464 1.724 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cn1 ZINC000357766192 151144365 /nfs/dbraw/zinc/14/43/65/151144365.db2.gz XRHNLMCJEWHYOT-UHFFFAOYSA-N 2 2 341.459 1.440 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3ncccn3)C2)CCC[N@@H+]1C ZINC000357927503 151199405 /nfs/dbraw/zinc/19/94/05/151199405.db2.gz IZLVWHMURRLLAW-OWCLPIDISA-N 2 2 346.479 1.175 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3ncccn3)C2)CCC[N@H+]1C ZINC000357927503 151199408 /nfs/dbraw/zinc/19/94/08/151199408.db2.gz IZLVWHMURRLLAW-OWCLPIDISA-N 2 2 346.479 1.175 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)CCC[NH+]1C ZINC000357927503 151199413 /nfs/dbraw/zinc/19/94/13/151199413.db2.gz IZLVWHMURRLLAW-OWCLPIDISA-N 2 2 346.479 1.175 20 0 EDADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000358017607 151236206 /nfs/dbraw/zinc/23/62/06/151236206.db2.gz HUTCQOZJKKIYSQ-WWGRRREGSA-N 2 2 325.478 1.538 20 0 EDADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000358017607 151236208 /nfs/dbraw/zinc/23/62/08/151236208.db2.gz HUTCQOZJKKIYSQ-WWGRRREGSA-N 2 2 325.478 1.538 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000358173008 151295573 /nfs/dbraw/zinc/29/55/73/151295573.db2.gz UQKGFUVFQSKQJU-IEBWSBKVSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000358173008 151295576 /nfs/dbraw/zinc/29/55/76/151295576.db2.gz UQKGFUVFQSKQJU-IEBWSBKVSA-N 2 2 344.503 1.655 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CCO1 ZINC000360456225 152050579 /nfs/dbraw/zinc/05/05/79/152050579.db2.gz QUEKOIOLTYEYFL-AWEZNQCLSA-N 2 2 336.436 1.111 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CCO1 ZINC000360456225 152050582 /nfs/dbraw/zinc/05/05/82/152050582.db2.gz QUEKOIOLTYEYFL-AWEZNQCLSA-N 2 2 336.436 1.111 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000360535373 152084397 /nfs/dbraw/zinc/08/43/97/152084397.db2.gz CJASLJOSWBIPHD-UHFFFAOYSA-N 2 2 333.480 1.939 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000360571728 152102482 /nfs/dbraw/zinc/10/24/82/152102482.db2.gz VPBKDJRGWVZGQR-XLIONFOSSA-N 2 2 342.487 1.315 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000360571728 152102483 /nfs/dbraw/zinc/10/24/83/152102483.db2.gz VPBKDJRGWVZGQR-XLIONFOSSA-N 2 2 342.487 1.315 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cn3cc(C)ccc3n2)CCO1 ZINC000360931731 152255585 /nfs/dbraw/zinc/25/55/85/152255585.db2.gz QHOHCCPDPKTIEE-MRXNPFEDSA-N 2 2 345.447 1.553 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCc2cn3cc(C)ccc3[nH+]2)CCO1 ZINC000360931731 152255587 /nfs/dbraw/zinc/25/55/87/152255587.db2.gz QHOHCCPDPKTIEE-MRXNPFEDSA-N 2 2 345.447 1.553 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2cn3cc(C)ccc3[nH+]2)CCO1 ZINC000360931731 152255588 /nfs/dbraw/zinc/25/55/88/152255588.db2.gz QHOHCCPDPKTIEE-MRXNPFEDSA-N 2 2 345.447 1.553 20 0 EDADLP C[C@H](Cc1[nH]cc[nH+]1)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000360952780 152262200 /nfs/dbraw/zinc/26/22/00/152262200.db2.gz FCOWIOHJRDHWNY-CQSZACIVSA-N 2 2 348.472 1.763 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000361014338 152279882 /nfs/dbraw/zinc/27/98/82/152279882.db2.gz YPQNZBISDMTOSJ-KSZLIROESA-N 2 2 336.524 1.203 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000361014338 152279884 /nfs/dbraw/zinc/27/98/84/152279884.db2.gz YPQNZBISDMTOSJ-KSZLIROESA-N 2 2 336.524 1.203 20 0 EDADLP CCCCOCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000361165932 152323775 /nfs/dbraw/zinc/32/37/75/152323775.db2.gz DZPLGTLSNNNWQZ-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCCCOCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000361165932 152323777 /nfs/dbraw/zinc/32/37/77/152323777.db2.gz DZPLGTLSNNNWQZ-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC1(C)[C@H](O)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000361410057 152385983 /nfs/dbraw/zinc/38/59/83/152385983.db2.gz ZNUPOJKXQBIZCC-OAHLLOKOSA-N 2 2 337.489 1.238 20 0 EDADLP CC1(C)[C@H](O)CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000361410057 152385985 /nfs/dbraw/zinc/38/59/85/152385985.db2.gz ZNUPOJKXQBIZCC-OAHLLOKOSA-N 2 2 337.489 1.238 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000370158449 155354281 /nfs/dbraw/zinc/35/42/81/155354281.db2.gz CUCCDTLZTGAJPF-CQSZACIVSA-N 3 2 333.480 1.501 20 0 EDADLP COCCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000370190280 155369896 /nfs/dbraw/zinc/36/98/96/155369896.db2.gz FLPZZEDRNIAERT-MJGOQNOKSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000370190280 155369899 /nfs/dbraw/zinc/36/98/99/155369899.db2.gz FLPZZEDRNIAERT-MJGOQNOKSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000370190280 155369903 /nfs/dbraw/zinc/36/99/03/155369903.db2.gz FLPZZEDRNIAERT-MJGOQNOKSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000370190280 155369909 /nfs/dbraw/zinc/36/99/09/155369909.db2.gz FLPZZEDRNIAERT-MJGOQNOKSA-N 2 2 347.503 1.982 20 0 EDADLP Cn1nnnc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000363780255 153054045 /nfs/dbraw/zinc/05/40/45/153054045.db2.gz BVXRPCMFIWNVFW-KRWDZBQOSA-N 2 2 344.463 1.088 20 0 EDADLP Cn1nnnc1C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000363780255 153054051 /nfs/dbraw/zinc/05/40/51/153054051.db2.gz BVXRPCMFIWNVFW-KRWDZBQOSA-N 2 2 344.463 1.088 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000363912991 153094244 /nfs/dbraw/zinc/09/42/44/153094244.db2.gz DEDTXRLIWWAYEJ-QZTJIDSGSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000363912991 153094245 /nfs/dbraw/zinc/09/42/45/153094245.db2.gz DEDTXRLIWWAYEJ-QZTJIDSGSA-N 2 2 343.475 1.536 20 0 EDADLP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000363960416 153108813 /nfs/dbraw/zinc/10/88/13/153108813.db2.gz MCGNDZHPRJBNPK-HOCLYGCPSA-N 2 2 342.447 1.795 20 0 EDADLP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000363960416 153108814 /nfs/dbraw/zinc/10/88/14/153108814.db2.gz MCGNDZHPRJBNPK-HOCLYGCPSA-N 2 2 342.447 1.795 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[NH+]1CCOCC1 ZINC000364294220 153198594 /nfs/dbraw/zinc/19/85/94/153198594.db2.gz DYNOZBMWFPNUTD-KRWDZBQOSA-N 2 2 349.479 1.656 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[NH+]1CCOCC1 ZINC000364294220 153198597 /nfs/dbraw/zinc/19/85/97/153198597.db2.gz DYNOZBMWFPNUTD-KRWDZBQOSA-N 2 2 349.479 1.656 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)NC3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000364300391 153200228 /nfs/dbraw/zinc/20/02/28/153200228.db2.gz LDOWVXIPCSUECH-UHFFFAOYSA-N 2 2 331.464 1.752 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000364731760 153317495 /nfs/dbraw/zinc/31/74/95/153317495.db2.gz CFOUMIBZFFZWPY-LBPRGKRZSA-N 2 2 328.420 1.119 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@]3(O)CCO[C@H]3C)sc2C1 ZINC000364779056 153330748 /nfs/dbraw/zinc/33/07/48/153330748.db2.gz DXLBUVWBISNYDM-BLLLJJGKSA-N 2 2 325.478 1.539 20 0 EDADLP CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000364811452 153339990 /nfs/dbraw/zinc/33/99/90/153339990.db2.gz PQXQIHSQGUEVGT-IHPCNDPISA-N 2 2 347.503 1.759 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364959195 153383857 /nfs/dbraw/zinc/38/38/57/153383857.db2.gz PAJNKBJLCIOHNS-KBRIMQKVSA-N 2 2 330.432 1.727 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364959195 153383858 /nfs/dbraw/zinc/38/38/58/153383858.db2.gz PAJNKBJLCIOHNS-KBRIMQKVSA-N 2 2 330.432 1.727 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000365430146 153516335 /nfs/dbraw/zinc/51/63/35/153516335.db2.gz VDJCHBXJILCSOM-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000365430146 153516337 /nfs/dbraw/zinc/51/63/37/153516337.db2.gz VDJCHBXJILCSOM-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367536346 154165984 /nfs/dbraw/zinc/16/59/84/154165984.db2.gz SEKDUVKPJQKFFB-HNNXBMFYSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367536346 154165986 /nfs/dbraw/zinc/16/59/86/154165986.db2.gz SEKDUVKPJQKFFB-HNNXBMFYSA-N 2 2 345.491 1.388 20 0 EDADLP COC(=O)CCC[NH+]1CCN(Cc2c(C)[nH+]c3n2CCCC3)CC1 ZINC000367887329 154313314 /nfs/dbraw/zinc/31/33/14/154313314.db2.gz TYFVFOAACNLRDJ-UHFFFAOYSA-N 2 2 334.464 1.599 20 0 EDADLP O=C1NC[C@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC[C@@H]12 ZINC000368054427 154388167 /nfs/dbraw/zinc/38/81/67/154388167.db2.gz CZKDCTITUQLCOU-PKOBYXMFSA-N 2 2 342.487 1.267 20 0 EDADLP O=C1NC[C@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CC[C@@H]12 ZINC000368054427 154388170 /nfs/dbraw/zinc/38/81/70/154388170.db2.gz CZKDCTITUQLCOU-PKOBYXMFSA-N 2 2 342.487 1.267 20 0 EDADLP C[NH+](C)CCN(C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1CCCC1 ZINC000368059681 154389679 /nfs/dbraw/zinc/38/96/79/154389679.db2.gz GSHOOBUNASHHEC-QGZVFWFLSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)CCN(C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C1CCCC1 ZINC000368059681 154389682 /nfs/dbraw/zinc/38/96/82/154389682.db2.gz GSHOOBUNASHHEC-QGZVFWFLSA-N 2 2 338.496 1.365 20 0 EDADLP COc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000371972485 156190599 /nfs/dbraw/zinc/19/05/99/156190599.db2.gz FJSFLIUGUUPKNI-HNNXBMFYSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000371972485 156190602 /nfs/dbraw/zinc/19/06/02/156190602.db2.gz FJSFLIUGUUPKNI-HNNXBMFYSA-N 2 2 347.459 1.641 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccn2cc[nH+]c2c1 ZINC000372014315 156211428 /nfs/dbraw/zinc/21/14/28/156211428.db2.gz XCOLYNPKDPUPPV-UHFFFAOYSA-N 2 2 338.415 1.909 20 0 EDADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000372047826 156223214 /nfs/dbraw/zinc/22/32/14/156223214.db2.gz UTSNAQNVTNOCFH-AZUAARDMSA-N 2 2 329.488 1.978 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)on2)cn1 ZINC000372190313 156264752 /nfs/dbraw/zinc/26/47/52/156264752.db2.gz FGSGQHPLWXOCKR-HFTRVMKXSA-N 2 2 327.432 1.991 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)on2)cn1 ZINC000372190313 156264753 /nfs/dbraw/zinc/26/47/53/156264753.db2.gz FGSGQHPLWXOCKR-HFTRVMKXSA-N 2 2 327.432 1.991 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)on2)cn1 ZINC000372190313 156264755 /nfs/dbraw/zinc/26/47/55/156264755.db2.gz FGSGQHPLWXOCKR-HFTRVMKXSA-N 2 2 327.432 1.991 20 0 EDADLP Cn1cc(-c2cc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)on2)cn1 ZINC000372190313 156264758 /nfs/dbraw/zinc/26/47/58/156264758.db2.gz FGSGQHPLWXOCKR-HFTRVMKXSA-N 2 2 327.432 1.991 20 0 EDADLP Cc1ccc(C(=O)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000372295640 156317848 /nfs/dbraw/zinc/31/78/48/156317848.db2.gz SOHXHFRMIUSGTM-UHFFFAOYSA-N 2 2 343.471 1.664 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCCCc3ccccc3)CCO2)CC1 ZINC000372356494 156350948 /nfs/dbraw/zinc/35/09/48/156350948.db2.gz NZNFOUSNCKOYMU-FQEVSTJZSA-N 2 2 331.504 1.958 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCCCc3ccccc3)CCO2)CC1 ZINC000372356494 156350958 /nfs/dbraw/zinc/35/09/58/156350958.db2.gz NZNFOUSNCKOYMU-FQEVSTJZSA-N 2 2 331.504 1.958 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000372422246 156383093 /nfs/dbraw/zinc/38/30/93/156383093.db2.gz OVOYAHYGZFZHCW-MRXNPFEDSA-N 2 2 334.464 1.715 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372428006 156384243 /nfs/dbraw/zinc/38/42/43/156384243.db2.gz LCPXROIYZPDMLI-IEBWSBKVSA-N 3 2 333.524 1.930 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372428006 156384249 /nfs/dbraw/zinc/38/42/49/156384249.db2.gz LCPXROIYZPDMLI-IEBWSBKVSA-N 3 2 333.524 1.930 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](CCOC(C)C)CC2)C1(C)C ZINC000188227121 286547833 /nfs/dbraw/zinc/54/78/33/286547833.db2.gz JPLQRBDYMUNSRU-YJBOKZPZSA-N 2 2 341.496 1.088 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3nc(N(C)C)no3)CC2)CC1 ZINC000374152511 157167155 /nfs/dbraw/zinc/16/71/55/157167155.db2.gz YRCRCPKLZDFUSS-UHFFFAOYSA-N 2 2 336.484 1.128 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1(C)C ZINC000374251428 157214115 /nfs/dbraw/zinc/21/41/15/157214115.db2.gz XQBBSYQYNCLDTC-INIZCTEOSA-N 2 2 348.495 1.083 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000374360206 157259412 /nfs/dbraw/zinc/25/94/12/157259412.db2.gz PCGOORAJVYLQSC-INIZCTEOSA-N 2 2 336.505 1.630 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C[C@@H]1C ZINC000374423290 157286381 /nfs/dbraw/zinc/28/63/81/157286381.db2.gz ROGMZLHKGWVSTA-JKSUJKDBSA-N 2 2 349.479 1.431 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C[C@@H]1C ZINC000374423290 157286385 /nfs/dbraw/zinc/28/63/85/157286385.db2.gz ROGMZLHKGWVSTA-JKSUJKDBSA-N 2 2 349.479 1.431 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374430001 157287828 /nfs/dbraw/zinc/28/78/28/157287828.db2.gz QUJGQOZOCLNOIQ-BRWVUGGUSA-N 2 2 341.496 1.103 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374430001 157287834 /nfs/dbraw/zinc/28/78/34/157287834.db2.gz QUJGQOZOCLNOIQ-BRWVUGGUSA-N 2 2 341.496 1.103 20 0 EDADLP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000575320075 306668267 /nfs/dbraw/zinc/66/82/67/306668267.db2.gz LNINLUOERKZLRH-WBVHZDCISA-N 2 2 342.443 1.622 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](Cc3cnn4ccccc34)CC2)C(=O)C1 ZINC000374755640 157389793 /nfs/dbraw/zinc/38/97/93/157389793.db2.gz SXZNGABWUDMJAM-UHFFFAOYSA-N 2 2 327.432 1.073 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](Cc3cnn4ccccc34)CC2)C(=O)C1 ZINC000374755640 157389797 /nfs/dbraw/zinc/38/97/97/157389797.db2.gz SXZNGABWUDMJAM-UHFFFAOYSA-N 2 2 327.432 1.073 20 0 EDADLP CC(C)Cn1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000374771239 157394439 /nfs/dbraw/zinc/39/44/39/157394439.db2.gz KWKIICFJRBJMLT-MRXNPFEDSA-N 2 2 347.507 1.780 20 0 EDADLP CC(C)Cn1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000374771239 157394442 /nfs/dbraw/zinc/39/44/42/157394442.db2.gz KWKIICFJRBJMLT-MRXNPFEDSA-N 2 2 347.507 1.780 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c[nH+]1 ZINC000376378227 157771994 /nfs/dbraw/zinc/77/19/94/157771994.db2.gz YIPKXQMJLOUTKQ-MQVJKMGUSA-N 2 2 344.459 1.359 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[C@@H]1C ZINC000377897508 158023368 /nfs/dbraw/zinc/02/33/68/158023368.db2.gz CEAVVCLQMOWKKJ-WMLDXEAASA-N 2 2 329.460 1.378 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[C@@H]1C ZINC000377897508 158023370 /nfs/dbraw/zinc/02/33/70/158023370.db2.gz CEAVVCLQMOWKKJ-WMLDXEAASA-N 2 2 329.460 1.378 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1C ZINC000377897508 158023373 /nfs/dbraw/zinc/02/33/73/158023373.db2.gz CEAVVCLQMOWKKJ-WMLDXEAASA-N 2 2 329.460 1.378 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1C ZINC000377897508 158023374 /nfs/dbraw/zinc/02/33/74/158023374.db2.gz CEAVVCLQMOWKKJ-WMLDXEAASA-N 2 2 329.460 1.378 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377914279 158027469 /nfs/dbraw/zinc/02/74/69/158027469.db2.gz GSSXFTLHWRDIOA-UHFFFAOYSA-N 2 2 345.491 1.566 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCCc2[nH+]ccn21 ZINC000377951126 158038296 /nfs/dbraw/zinc/03/82/96/158038296.db2.gz UOURFIVFLJIBOT-JTQLQIEISA-N 2 2 327.310 1.836 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378080210 158073684 /nfs/dbraw/zinc/07/36/84/158073684.db2.gz SNHDJGBPVNIMRW-QGZVFWFLSA-N 2 2 334.464 1.909 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378080210 158073686 /nfs/dbraw/zinc/07/36/86/158073686.db2.gz SNHDJGBPVNIMRW-QGZVFWFLSA-N 2 2 334.464 1.909 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000378265012 158123629 /nfs/dbraw/zinc/12/36/29/158123629.db2.gz SVYRNYHJHQVMKX-ZBFHGGJFSA-N 2 2 334.464 1.529 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC(=O)NCc3ccccc3)C2)CC1 ZINC000378299290 158133162 /nfs/dbraw/zinc/13/31/62/158133162.db2.gz NLWGLASQTUYPCH-IBGZPJMESA-N 2 2 344.503 1.262 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC(=O)NCc3ccccc3)C2)CC1 ZINC000378299290 158133164 /nfs/dbraw/zinc/13/31/64/158133164.db2.gz NLWGLASQTUYPCH-IBGZPJMESA-N 2 2 344.503 1.262 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378340197 158146413 /nfs/dbraw/zinc/14/64/13/158146413.db2.gz PBEDDVYGTVIYGG-HZPDHXFCSA-N 2 2 343.475 1.834 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000378340197 158146415 /nfs/dbraw/zinc/14/64/15/158146415.db2.gz PBEDDVYGTVIYGG-HZPDHXFCSA-N 2 2 343.475 1.834 20 0 EDADLP C[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378365641 158153854 /nfs/dbraw/zinc/15/38/54/158153854.db2.gz KZRIVHBOCKRSIN-OAHLLOKOSA-N 2 2 347.507 1.879 20 0 EDADLP C[C@@H]1CN(C(=O)c2cnn(C(C)(C)C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378365641 158153856 /nfs/dbraw/zinc/15/38/56/158153856.db2.gz KZRIVHBOCKRSIN-OAHLLOKOSA-N 2 2 347.507 1.879 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccc1N1CCCC1=O ZINC000576094249 306677686 /nfs/dbraw/zinc/67/76/86/306677686.db2.gz YTEOKJFBYOVDGE-PJIJBLCYSA-N 2 2 344.459 1.728 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@H]1CCCc2[nH+]ccn21)[NH+]1CCOCC1 ZINC000352167254 162025905 /nfs/dbraw/zinc/02/59/05/162025905.db2.gz KSLLSZQKNBNLHB-JKSUJKDBSA-N 2 2 334.464 1.624 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)c[nH+]2)CCO1 ZINC000364242439 162323668 /nfs/dbraw/zinc/32/36/68/162323668.db2.gz GSXZVDSSJWAYKU-ZBFHGGJFSA-N 2 2 332.448 1.455 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1cn2ccccc2[nH+]1 ZINC000366433143 162381697 /nfs/dbraw/zinc/38/16/97/162381697.db2.gz CGTANWWATWKNGL-IKGGRYGDSA-N 2 2 342.443 1.587 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000420900035 287095777 /nfs/dbraw/zinc/09/57/77/287095777.db2.gz HHHPQUUXQOGCFL-QZTJIDSGSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000420900035 287095778 /nfs/dbraw/zinc/09/57/78/287095778.db2.gz HHHPQUUXQOGCFL-QZTJIDSGSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000079312212 287300042 /nfs/dbraw/zinc/30/00/42/287300042.db2.gz AUJOHLQBMULOKN-KRWDZBQOSA-N 2 2 340.512 1.518 20 0 EDADLP CCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000079977238 287304367 /nfs/dbraw/zinc/30/43/67/287304367.db2.gz XVDXJIRZDOFETG-UHFFFAOYSA-N 2 2 349.475 1.044 20 0 EDADLP CCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000079977238 287304369 /nfs/dbraw/zinc/30/43/69/287304369.db2.gz XVDXJIRZDOFETG-UHFFFAOYSA-N 2 2 349.475 1.044 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000080368778 287307001 /nfs/dbraw/zinc/30/70/01/287307001.db2.gz WXDGMAUWIWQREP-HNNXBMFYSA-N 2 2 335.448 1.078 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C[NH+]1CCOCC1 ZINC000122512784 287381184 /nfs/dbraw/zinc/38/11/84/287381184.db2.gz HGSCBUALFODZOO-OAGGEKHMSA-N 2 2 341.496 1.990 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+]2CCOCC2)c1 ZINC000164179901 226051884 /nfs/dbraw/zinc/05/18/84/226051884.db2.gz FXLKNAIDEJTSLA-DLBZAZTESA-N 2 2 333.476 1.858 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000164967340 226106189 /nfs/dbraw/zinc/10/61/89/226106189.db2.gz DWKBBZOUBBGWDT-SNVBAGLBSA-N 2 2 332.231 1.982 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000164967340 226106191 /nfs/dbraw/zinc/10/61/91/226106191.db2.gz DWKBBZOUBBGWDT-SNVBAGLBSA-N 2 2 332.231 1.982 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123687855 222317403 /nfs/dbraw/zinc/31/74/03/222317403.db2.gz TXYZAAPPTBTQKZ-SUMWQHHRSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123687855 222317405 /nfs/dbraw/zinc/31/74/05/222317405.db2.gz TXYZAAPPTBTQKZ-SUMWQHHRSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123687855 222317406 /nfs/dbraw/zinc/31/74/06/222317406.db2.gz TXYZAAPPTBTQKZ-SUMWQHHRSA-N 2 2 332.448 1.998 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123687855 222317408 /nfs/dbraw/zinc/31/74/08/222317408.db2.gz TXYZAAPPTBTQKZ-SUMWQHHRSA-N 2 2 332.448 1.998 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000275531413 268355673 /nfs/dbraw/zinc/35/56/73/268355673.db2.gz FXGBTCBMINCVCH-AWEZNQCLSA-N 2 2 329.404 1.414 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000647848397 452583444 /nfs/dbraw/zinc/58/34/44/452583444.db2.gz PYMUGNZYRSVVCN-UHFFFAOYSA-N 2 2 333.354 1.481 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)NCCOc1ccc(C(F)(F)F)cc1 ZINC000647848397 452583452 /nfs/dbraw/zinc/58/34/52/452583452.db2.gz PYMUGNZYRSVVCN-UHFFFAOYSA-N 2 2 333.354 1.481 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000273423274 273038183 /nfs/dbraw/zinc/03/81/83/273038183.db2.gz XXSSZZCKFZYGTM-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCC3([NH+](C)C)CCCC3)CC2)cc[nH+]1 ZINC000274213996 273078789 /nfs/dbraw/zinc/07/87/89/273078789.db2.gz NSIIOHWVBGWDEQ-UHFFFAOYSA-N 2 2 346.479 1.491 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)ccc2[nH+]1 ZINC000276075885 273147726 /nfs/dbraw/zinc/14/77/26/273147726.db2.gz ORYGSVFRIBRJSC-DOMZBBRYSA-N 2 2 343.431 1.380 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)ccc2[nH+]1 ZINC000276075885 273147727 /nfs/dbraw/zinc/14/77/27/273147727.db2.gz ORYGSVFRIBRJSC-DOMZBBRYSA-N 2 2 343.431 1.380 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000276267124 273156602 /nfs/dbraw/zinc/15/66/02/273156602.db2.gz NOZGALAXMOYVTB-LBPRGKRZSA-N 2 2 334.445 1.872 20 0 EDADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000278346418 273260497 /nfs/dbraw/zinc/26/04/97/273260497.db2.gz PWVUICRAOKRRFR-IEBWSBKVSA-N 2 2 345.443 1.718 20 0 EDADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000278346418 273260500 /nfs/dbraw/zinc/26/05/00/273260500.db2.gz PWVUICRAOKRRFR-IEBWSBKVSA-N 2 2 345.443 1.718 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000279110338 273280412 /nfs/dbraw/zinc/28/04/12/273280412.db2.gz VXWOSHZRHKMYDX-MOPGFXCFSA-N 2 2 343.471 1.491 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000279110338 273280413 /nfs/dbraw/zinc/28/04/13/273280413.db2.gz VXWOSHZRHKMYDX-MOPGFXCFSA-N 2 2 343.471 1.491 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000155662767 287663420 /nfs/dbraw/zinc/66/34/20/287663420.db2.gz PQWWHQASFTZVDU-UHFFFAOYSA-N 2 2 332.448 1.875 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)c1ccco1 ZINC000280689781 273386047 /nfs/dbraw/zinc/38/60/47/273386047.db2.gz DGEXQLHDUINCRK-YOEHRIQHSA-N 2 2 347.463 1.815 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc2c(c1)[C@H](NC(=O)C[NH+](C)C)CCC2 ZINC000281925470 273554047 /nfs/dbraw/zinc/55/40/47/273554047.db2.gz AWPONVCHWWGKOS-MRXNPFEDSA-N 2 2 332.448 1.242 20 0 EDADLP CC(C)(C)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000283911974 274007986 /nfs/dbraw/zinc/00/79/86/274007986.db2.gz BWEYZAWNVKUTFC-IRXDYDNUSA-N 2 2 333.476 1.767 20 0 EDADLP CC(C)(C)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000283911974 274007988 /nfs/dbraw/zinc/00/79/88/274007988.db2.gz BWEYZAWNVKUTFC-IRXDYDNUSA-N 2 2 333.476 1.767 20 0 EDADLP O=c1[nH]nc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)o1 ZINC000284243383 274131147 /nfs/dbraw/zinc/13/11/47/274131147.db2.gz LBPCSMNSGGSYDU-UHFFFAOYSA-N 2 2 325.372 1.928 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000284453066 274207831 /nfs/dbraw/zinc/20/78/31/274207831.db2.gz PYBQMKZBXHGWDM-CQSZACIVSA-N 2 2 347.463 1.106 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422794724 274229716 /nfs/dbraw/zinc/22/97/16/274229716.db2.gz URSWCSIQVOYFFI-WMLDXEAASA-N 2 2 332.423 1.911 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ncc(Cl)n2C)CCC[N@@H+]1C ZINC000284704590 274301025 /nfs/dbraw/zinc/30/10/25/274301025.db2.gz YXCKKDAHJWMLOO-BLLLJJGKSA-N 2 2 336.871 1.980 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ncc(Cl)n2C)CCC[N@H+]1C ZINC000284704590 274301027 /nfs/dbraw/zinc/30/10/27/274301027.db2.gz YXCKKDAHJWMLOO-BLLLJJGKSA-N 2 2 336.871 1.980 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000284715851 274305519 /nfs/dbraw/zinc/30/55/19/274305519.db2.gz ZUIPFKHSGUFYBG-MLGOLLRUSA-N 2 2 338.333 1.947 20 0 EDADLP CCC[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000285585116 274587601 /nfs/dbraw/zinc/58/76/01/274587601.db2.gz OQJUIUQXTWONPA-FQEVSTJZSA-N 2 2 345.487 1.880 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340186695 276174880 /nfs/dbraw/zinc/17/48/80/276174880.db2.gz XOWVXUKBYWGXNZ-RHSMWYFYSA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340186695 276174881 /nfs/dbraw/zinc/17/48/81/276174881.db2.gz XOWVXUKBYWGXNZ-RHSMWYFYSA-N 2 2 337.489 1.785 20 0 EDADLP CC[NH+](CC)CCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000338301404 276323775 /nfs/dbraw/zinc/32/37/75/276323775.db2.gz IXGNORDXYBFSES-IAGOWNOFSA-N 3 2 339.503 1.996 20 0 EDADLP CC[NH+](CC)CCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000338301404 276323777 /nfs/dbraw/zinc/32/37/77/276323777.db2.gz IXGNORDXYBFSES-IAGOWNOFSA-N 3 2 339.503 1.996 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCn4ccnc43)C2)CC1 ZINC000370020510 277028030 /nfs/dbraw/zinc/02/80/30/277028030.db2.gz UGOSVJCQUPANCC-ZBFHGGJFSA-N 2 2 331.464 1.045 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCn4ccnc43)C2)CC1 ZINC000370020510 277028031 /nfs/dbraw/zinc/02/80/31/277028031.db2.gz UGOSVJCQUPANCC-ZBFHGGJFSA-N 2 2 331.464 1.045 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000369264617 277028045 /nfs/dbraw/zinc/02/80/45/277028045.db2.gz CFQQHLUEXXYNBO-CRAIPNDOSA-N 2 2 343.471 1.837 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000369264617 277028046 /nfs/dbraw/zinc/02/80/46/277028046.db2.gz CFQQHLUEXXYNBO-CRAIPNDOSA-N 2 2 343.471 1.837 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246982194 277169867 /nfs/dbraw/zinc/16/98/67/277169867.db2.gz VXHNKPDNILQIRI-ZFWWWQNUSA-N 2 2 336.480 1.559 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246982194 277169869 /nfs/dbraw/zinc/16/98/69/277169869.db2.gz VXHNKPDNILQIRI-ZFWWWQNUSA-N 2 2 336.480 1.559 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246982194 277169870 /nfs/dbraw/zinc/16/98/70/277169870.db2.gz VXHNKPDNILQIRI-ZFWWWQNUSA-N 2 2 336.480 1.559 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246982194 277169871 /nfs/dbraw/zinc/16/98/71/277169871.db2.gz VXHNKPDNILQIRI-ZFWWWQNUSA-N 2 2 336.480 1.559 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091319026 277221712 /nfs/dbraw/zinc/22/17/12/277221712.db2.gz YKJPKUFACJLLAT-DZGCQCFKSA-N 2 2 341.477 1.095 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091319026 277221713 /nfs/dbraw/zinc/22/17/13/277221713.db2.gz YKJPKUFACJLLAT-DZGCQCFKSA-N 2 2 341.477 1.095 20 0 EDADLP COC[C@@](C)(CCO)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286193668 287956822 /nfs/dbraw/zinc/95/68/22/287956822.db2.gz AGNWNCUJQUYZTO-LJQANCHMSA-N 2 2 335.492 1.576 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2ccc3occc3c2)CN1CC[NH+]1CCOCC1 ZINC000286302882 287977721 /nfs/dbraw/zinc/97/77/21/287977721.db2.gz CPBQTDLXXJZJGP-QGZVFWFLSA-N 2 2 343.427 1.456 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000376171566 277975069 /nfs/dbraw/zinc/97/50/69/277975069.db2.gz IDRZBZIYOZAVBL-RHSMWYFYSA-N 2 2 332.448 1.078 20 0 EDADLP C[C@@H](CNC(=O)NCc1[nH+]ccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000264071291 278275545 /nfs/dbraw/zinc/27/55/45/278275545.db2.gz CBUGYMSZGQUYQH-AWEZNQCLSA-N 2 2 327.432 1.666 20 0 EDADLP C[C@@H](CNC(=O)NCc1[nH+]ccn1C)[N@H+]1CCc2ccccc2C1 ZINC000264071291 278275546 /nfs/dbraw/zinc/27/55/46/278275546.db2.gz CBUGYMSZGQUYQH-AWEZNQCLSA-N 2 2 327.432 1.666 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NCc2[nH+]ccn2C)CC1 ZINC000286562263 288034741 /nfs/dbraw/zinc/03/47/41/288034741.db2.gz FILVBRVVOZAEKO-UHFFFAOYSA-N 2 2 349.479 1.007 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCc2[nH+]ccn2C)CC1 ZINC000286562263 288034744 /nfs/dbraw/zinc/03/47/44/288034744.db2.gz FILVBRVVOZAEKO-UHFFFAOYSA-N 2 2 349.479 1.007 20 0 EDADLP Cc1n[nH]c(C)c1[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000182375199 279057193 /nfs/dbraw/zinc/05/71/93/279057193.db2.gz RYHLYJIULNDQEO-ZDUSSCGKSA-N 2 2 347.507 1.805 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000337601599 279086459 /nfs/dbraw/zinc/08/64/59/279086459.db2.gz OBVKAXRWIYEGDC-LSDHHAIUSA-N 2 2 339.459 1.133 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000366549464 279129212 /nfs/dbraw/zinc/12/92/12/279129212.db2.gz AATFWUAVAMSZEJ-GOSISDBHSA-N 2 2 342.443 1.839 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000366549464 279129215 /nfs/dbraw/zinc/12/92/15/279129215.db2.gz AATFWUAVAMSZEJ-GOSISDBHSA-N 2 2 342.443 1.839 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3C[C@H]4CC(=O)[C@@H]3C4)CC2)CC1 ZINC000422014085 279258566 /nfs/dbraw/zinc/25/85/66/279258566.db2.gz FZSGKUMULGUBBO-JQHSSLGASA-N 2 2 347.503 1.620 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3C[C@H]4CC(=O)[C@@H]3C4)CC2)CC1 ZINC000422014085 279258568 /nfs/dbraw/zinc/25/85/68/279258568.db2.gz FZSGKUMULGUBBO-JQHSSLGASA-N 2 2 347.503 1.620 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)[NH+](C)C ZINC000157000633 280077339 /nfs/dbraw/zinc/07/73/39/280077339.db2.gz XYXCVFANLCHAFE-ROUUACIJSA-N 2 2 333.476 1.825 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCOCC1 ZINC000287268818 288196490 /nfs/dbraw/zinc/19/64/90/288196490.db2.gz USAPTRUKQOSRNR-SOLBZPMBSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000287307717 288206244 /nfs/dbraw/zinc/20/62/44/288206244.db2.gz WPWBWWUSIHRYSW-SOLBZPMBSA-N 2 2 348.491 1.698 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295127 280240957 /nfs/dbraw/zinc/24/09/57/280240957.db2.gz OXCMMQOYMJAHNK-ZJPYXAASSA-N 2 2 337.508 1.961 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295127 280240960 /nfs/dbraw/zinc/24/09/60/280240960.db2.gz OXCMMQOYMJAHNK-ZJPYXAASSA-N 2 2 337.508 1.961 20 0 EDADLP O=C1[C@H]([NH2+][C@H]2CCCc3occc32)CCCN1CC[NH+]1CCOCC1 ZINC000370080540 280326494 /nfs/dbraw/zinc/32/64/94/280326494.db2.gz GCCVBPDOBHOPAO-DLBZAZTESA-N 2 2 347.459 1.570 20 0 EDADLP Cc1nc2c(nccc2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000373909740 282021959 /nfs/dbraw/zinc/02/19/59/282021959.db2.gz DIMPDSWOKRXONV-CYBMUJFWSA-N 2 2 342.447 1.165 20 0 EDADLP Cc1nc2c(nccc2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000373909740 282021960 /nfs/dbraw/zinc/02/19/60/282021960.db2.gz DIMPDSWOKRXONV-CYBMUJFWSA-N 2 2 342.447 1.165 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000289211392 288651549 /nfs/dbraw/zinc/65/15/49/288651549.db2.gz KMHMQWROOYGRLW-SFHVURJKSA-N 2 2 342.491 1.757 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246610313 289015708 /nfs/dbraw/zinc/01/57/08/289015708.db2.gz LMSDDDPRFRDGAH-HKUYNNGSSA-N 2 2 345.487 1.860 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246610313 289015710 /nfs/dbraw/zinc/01/57/10/289015710.db2.gz LMSDDDPRFRDGAH-HKUYNNGSSA-N 2 2 345.487 1.860 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292057334 289251332 /nfs/dbraw/zinc/25/13/32/289251332.db2.gz CGBVTFFPTBDBGF-IFXJQAMLSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292057334 289251334 /nfs/dbraw/zinc/25/13/34/289251334.db2.gz CGBVTFFPTBDBGF-IFXJQAMLSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292057334 289251336 /nfs/dbraw/zinc/25/13/36/289251336.db2.gz CGBVTFFPTBDBGF-IFXJQAMLSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292057334 289251338 /nfs/dbraw/zinc/25/13/38/289251338.db2.gz CGBVTFFPTBDBGF-IFXJQAMLSA-N 2 2 344.459 2.000 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292129823 289268590 /nfs/dbraw/zinc/26/85/90/289268590.db2.gz LCHOWWZBZVCXSF-KBXCAEBGSA-N 2 2 330.432 1.751 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292129823 289268592 /nfs/dbraw/zinc/26/85/92/289268592.db2.gz LCHOWWZBZVCXSF-KBXCAEBGSA-N 2 2 330.432 1.751 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292129823 289268594 /nfs/dbraw/zinc/26/85/94/289268594.db2.gz LCHOWWZBZVCXSF-KBXCAEBGSA-N 2 2 330.432 1.751 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292129823 289268596 /nfs/dbraw/zinc/26/85/96/289268596.db2.gz LCHOWWZBZVCXSF-KBXCAEBGSA-N 2 2 330.432 1.751 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C ZINC000354359935 289299496 /nfs/dbraw/zinc/29/94/96/289299496.db2.gz AMNALSODPVWHGD-BZUAXINKSA-N 2 2 348.495 1.291 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292287527 289307072 /nfs/dbraw/zinc/30/70/72/289307072.db2.gz VBUBFCYWWYMGSZ-MAUKXSAKSA-N 2 2 333.476 1.886 20 0 EDADLP C[N@@H+]1CCc2ncnc(N3CCCC[C@H]3C[NH+]3CCOCC3)c2C1 ZINC000363516843 290256033 /nfs/dbraw/zinc/25/60/33/290256033.db2.gz XIMIMKOSALRXGK-HNNXBMFYSA-N 2 2 331.464 1.156 20 0 EDADLP C[N@H+]1CCc2ncnc(N3CCCC[C@H]3C[NH+]3CCOCC3)c2C1 ZINC000363516843 290256036 /nfs/dbraw/zinc/25/60/36/290256036.db2.gz XIMIMKOSALRXGK-HNNXBMFYSA-N 2 2 331.464 1.156 20 0 EDADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000371679074 290392147 /nfs/dbraw/zinc/39/21/47/290392147.db2.gz JFNFNVUGYCRAPC-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000371679074 290392151 /nfs/dbraw/zinc/39/21/51/290392151.db2.gz JFNFNVUGYCRAPC-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000371679074 290392155 /nfs/dbraw/zinc/39/21/55/290392155.db2.gz JFNFNVUGYCRAPC-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000371679074 290392159 /nfs/dbraw/zinc/39/21/59/290392159.db2.gz JFNFNVUGYCRAPC-IRXDYDNUSA-N 2 2 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305068846 /nfs/dbraw/zinc/06/88/46/305068846.db2.gz BYXMBGOTJQDUAL-KDOFPFPSSA-N 2 2 331.460 1.855 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000430937467 305069461 /nfs/dbraw/zinc/06/94/61/305069461.db2.gz CACODFDKQJEAPT-BBRMVZONSA-N 2 2 330.457 1.629 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000430937467 305069462 /nfs/dbraw/zinc/06/94/62/305069462.db2.gz CACODFDKQJEAPT-BBRMVZONSA-N 2 2 330.457 1.629 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@H](C)[NH2+]1 ZINC000430941542 305069564 /nfs/dbraw/zinc/06/95/64/305069564.db2.gz XAUGUOXZFXSTOD-STQMWFEESA-N 2 2 337.493 1.360 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1OC ZINC000430957507 305070720 /nfs/dbraw/zinc/07/07/20/305070720.db2.gz OWUXCMIPBJVSPV-UKRRQHHQSA-N 2 2 335.448 1.331 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1OC ZINC000430957507 305070721 /nfs/dbraw/zinc/07/07/21/305070721.db2.gz OWUXCMIPBJVSPV-UKRRQHHQSA-N 2 2 335.448 1.331 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430967418 305071587 /nfs/dbraw/zinc/07/15/87/305071587.db2.gz SSGWYHMWTPZDEL-LSDHHAIUSA-N 2 2 346.475 1.776 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430967418 305071588 /nfs/dbraw/zinc/07/15/88/305071588.db2.gz SSGWYHMWTPZDEL-LSDHHAIUSA-N 2 2 346.475 1.776 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430969259 305071662 /nfs/dbraw/zinc/07/16/62/305071662.db2.gz ZINOLEGJXFCKPM-VNHYZAJKSA-N 2 2 333.432 1.844 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430969259 305071663 /nfs/dbraw/zinc/07/16/63/305071663.db2.gz ZINOLEGJXFCKPM-VNHYZAJKSA-N 2 2 333.432 1.844 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430969256 305071688 /nfs/dbraw/zinc/07/16/88/305071688.db2.gz ZINOLEGJXFCKPM-IPYPFGDCSA-N 2 2 333.432 1.844 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430969256 305071689 /nfs/dbraw/zinc/07/16/89/305071689.db2.gz ZINOLEGJXFCKPM-IPYPFGDCSA-N 2 2 333.432 1.844 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433322093 305105706 /nfs/dbraw/zinc/10/57/06/305105706.db2.gz ZGZJXBOQTKYLNH-INIZCTEOSA-N 2 2 345.447 1.702 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433322093 305105707 /nfs/dbraw/zinc/10/57/07/305105707.db2.gz ZGZJXBOQTKYLNH-INIZCTEOSA-N 2 2 345.447 1.702 20 0 EDADLP CC[N@H+](CCNc1cc(N2CCOCC2)[nH+]cn1)CCC(F)(F)F ZINC000433795640 305113225 /nfs/dbraw/zinc/11/32/25/305113225.db2.gz FBRMLKLJQRSODP-UHFFFAOYSA-N 2 2 347.385 1.999 20 0 EDADLP CC[N@@H+](CCNc1cc(N2CCOCC2)[nH+]cn1)CCC(F)(F)F ZINC000433795640 305113226 /nfs/dbraw/zinc/11/32/26/305113226.db2.gz FBRMLKLJQRSODP-UHFFFAOYSA-N 2 2 347.385 1.999 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)CC[C@H](C)[NH3+])CCCC2)no1 ZINC000434689949 305127583 /nfs/dbraw/zinc/12/75/83/305127583.db2.gz DLYHPZXGVAZUGI-ZDUSSCGKSA-N 2 2 337.468 1.924 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCCOc1ccc(F)cc1 ZINC000434985983 305133796 /nfs/dbraw/zinc/13/37/96/305133796.db2.gz DVDVVACLXJDTJZ-UHFFFAOYSA-N 2 2 346.406 1.923 20 0 EDADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435239404 305137613 /nfs/dbraw/zinc/13/76/13/305137613.db2.gz WBLLOMIUKYMVDH-QZTJIDSGSA-N 2 2 329.444 1.240 20 0 EDADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435239404 305137614 /nfs/dbraw/zinc/13/76/14/305137614.db2.gz WBLLOMIUKYMVDH-QZTJIDSGSA-N 2 2 329.444 1.240 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000435349404 305138710 /nfs/dbraw/zinc/13/87/10/305138710.db2.gz ISOLIXASAZPRRU-MAUKXSAKSA-N 2 2 349.479 1.206 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000435384579 305139621 /nfs/dbraw/zinc/13/96/21/305139621.db2.gz NGKLDVIYQCOGPQ-OAHLLOKOSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000435384579 305139622 /nfs/dbraw/zinc/13/96/22/305139622.db2.gz NGKLDVIYQCOGPQ-OAHLLOKOSA-N 2 2 325.815 1.875 20 0 EDADLP CCn1ccnc1CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435424742 305140324 /nfs/dbraw/zinc/14/03/24/305140324.db2.gz AGTWTWSABDMAFX-OAHLLOKOSA-N 2 2 328.464 1.781 20 0 EDADLP C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435622262 305143617 /nfs/dbraw/zinc/14/36/17/305143617.db2.gz CNSABJJNHSUYOJ-CYBMUJFWSA-N 2 2 348.403 1.137 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435622262 305143618 /nfs/dbraw/zinc/14/36/18/305143618.db2.gz CNSABJJNHSUYOJ-CYBMUJFWSA-N 2 2 348.403 1.137 20 0 EDADLP CCn1ccnc1C[N@H+](CCOCCOC)[C@H]1CC12CC[NH2+]CC2 ZINC000435694472 305145551 /nfs/dbraw/zinc/14/55/51/305145551.db2.gz LCZNGQZXGQJIOO-INIZCTEOSA-N 2 2 336.480 1.510 20 0 EDADLP CCn1ccnc1C[N@@H+](CCOCCOC)[C@H]1CC12CC[NH2+]CC2 ZINC000435694472 305145552 /nfs/dbraw/zinc/14/55/52/305145552.db2.gz LCZNGQZXGQJIOO-INIZCTEOSA-N 2 2 336.480 1.510 20 0 EDADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000436285602 305155466 /nfs/dbraw/zinc/15/54/66/305155466.db2.gz FKNUKXCTDJINRX-UHFFFAOYSA-N 2 2 342.447 1.182 20 0 EDADLP CC(C)[NH+](CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C(C)C ZINC000438792255 305189292 /nfs/dbraw/zinc/18/92/92/305189292.db2.gz OSNKKOQGYMCZDL-UHFFFAOYSA-N 2 2 348.491 1.762 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000439827411 305202076 /nfs/dbraw/zinc/20/20/76/305202076.db2.gz IOYXJPNDXXOGHH-KRWDZBQOSA-N 2 2 345.491 1.471 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439827411 305202077 /nfs/dbraw/zinc/20/20/77/305202077.db2.gz IOYXJPNDXXOGHH-KRWDZBQOSA-N 2 2 345.491 1.471 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2C[N@H+](CC)C[C@H]2C)(N2CCOCC2)C1 ZINC000444006644 305242698 /nfs/dbraw/zinc/24/26/98/305242698.db2.gz XRMNDEMIAPKMCL-ZLZJIPBDSA-N 2 2 325.497 1.186 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)(N2CCOCC2)C1 ZINC000444006644 305242699 /nfs/dbraw/zinc/24/26/99/305242699.db2.gz XRMNDEMIAPKMCL-ZLZJIPBDSA-N 2 2 325.497 1.186 20 0 EDADLP CCC[C@]1(CO)CCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000445228379 305258118 /nfs/dbraw/zinc/25/81/18/305258118.db2.gz YNGMPUZWFSDPDT-GOSISDBHSA-N 2 2 340.512 1.349 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC000449175809 305308801 /nfs/dbraw/zinc/30/88/01/305308801.db2.gz KYBYCXJPRQCAHC-GOEBONIOSA-N 2 2 337.468 1.441 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCCOCC[NH+](C)C ZINC000471652064 305537735 /nfs/dbraw/zinc/53/77/35/305537735.db2.gz HTOUQKOOJWGAFL-UHFFFAOYSA-N 2 2 347.463 1.612 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414906598 447351501 /nfs/dbraw/zinc/35/15/01/447351501.db2.gz ACZASJHWTXYPLL-XEZPLFJOSA-N 2 2 333.432 1.778 20 0 EDADLP Cc1cc(C)c(CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c[nH+]1 ZINC000520396642 305779027 /nfs/dbraw/zinc/77/90/27/305779027.db2.gz ANRYLRPLAZMBTK-HNNXBMFYSA-N 2 2 344.459 1.305 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCC1 ZINC000524311263 305814955 /nfs/dbraw/zinc/81/49/55/305814955.db2.gz QVMUEJFWCNNCNN-UHFFFAOYSA-N 2 2 334.468 1.111 20 0 EDADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)NCCc1ccccc1 ZINC000419705558 447361379 /nfs/dbraw/zinc/36/13/79/447361379.db2.gz ASIPLPUQAOBKSD-AWEZNQCLSA-N 2 2 329.448 1.323 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)/C=C/c2[nH]cc[nH+]2)cn1 ZINC000493671830 447361949 /nfs/dbraw/zinc/36/19/49/447361949.db2.gz CSAJFILQJXTMGR-NSCUHMNNSA-N 2 2 325.376 1.082 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000527656738 305854874 /nfs/dbraw/zinc/85/48/74/305854874.db2.gz JZGRRIRSVKHOIM-CYBMUJFWSA-N 2 2 334.493 1.269 20 0 EDADLP C[C@@H](c1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000528677234 305883345 /nfs/dbraw/zinc/88/33/45/305883345.db2.gz AVQGFMRZSRBZBY-YOEHRIQHSA-N 2 2 348.447 1.190 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000530517565 305941682 /nfs/dbraw/zinc/94/16/82/305941682.db2.gz QUXJINJPBHQWKE-KRWDZBQOSA-N 2 2 337.508 1.964 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000456339263 447366587 /nfs/dbraw/zinc/36/65/87/447366587.db2.gz CRKLSZNBSMFAAY-KRWDZBQOSA-N 2 2 345.491 1.390 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000456339263 447366589 /nfs/dbraw/zinc/36/65/89/447366589.db2.gz CRKLSZNBSMFAAY-KRWDZBQOSA-N 2 2 345.491 1.390 20 0 EDADLP O[C@@H](COC1CCOCC1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127897 306003698 /nfs/dbraw/zinc/00/36/98/306003698.db2.gz IHDPKXQJZSTNCN-MRXNPFEDSA-N 2 2 335.448 1.514 20 0 EDADLP Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542157542 306051752 /nfs/dbraw/zinc/05/17/52/306051752.db2.gz BYUPHOJMUHTHKC-GDBMZVCRSA-N 2 2 327.432 1.965 20 0 EDADLP CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543396475 306063408 /nfs/dbraw/zinc/06/34/08/306063408.db2.gz IGDPFJKGEFUBED-INIZCTEOSA-N 2 2 349.460 1.089 20 0 EDADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543396475 306063409 /nfs/dbraw/zinc/06/34/09/306063409.db2.gz IGDPFJKGEFUBED-INIZCTEOSA-N 2 2 349.460 1.089 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000551006440 306155381 /nfs/dbraw/zinc/15/53/81/306155381.db2.gz FGEKEBWPILGFHQ-OKZBNKHCSA-N 2 2 349.500 1.928 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551006440 306155382 /nfs/dbraw/zinc/15/53/82/306155382.db2.gz FGEKEBWPILGFHQ-OKZBNKHCSA-N 2 2 349.500 1.928 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000555238802 306200660 /nfs/dbraw/zinc/20/06/60/306200660.db2.gz PDCLHNCLWCHWIN-AWEZNQCLSA-N 2 2 333.461 1.629 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000555238802 306200661 /nfs/dbraw/zinc/20/06/61/306200661.db2.gz PDCLHNCLWCHWIN-AWEZNQCLSA-N 2 2 333.461 1.629 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C1CC1 ZINC000556758914 306216155 /nfs/dbraw/zinc/21/61/55/306216155.db2.gz MNUXLOOLNNGCCH-CRAIPNDOSA-N 2 2 331.464 1.999 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CC1 ZINC000556758914 306216156 /nfs/dbraw/zinc/21/61/56/306216156.db2.gz MNUXLOOLNNGCCH-CRAIPNDOSA-N 2 2 331.464 1.999 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n(Cc2ccccc2)n1 ZINC000556938062 306221394 /nfs/dbraw/zinc/22/13/94/306221394.db2.gz UGXDIGDUKLEJNJ-INIZCTEOSA-N 2 2 342.447 1.346 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000493730082 447379594 /nfs/dbraw/zinc/37/95/94/447379594.db2.gz VFDAXMFAFXHPFW-BQYQJAHWSA-N 2 2 339.443 1.751 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+](CCO)[C@@H]3CCO[C@@H]3C)sc2C1 ZINC000449676080 447385261 /nfs/dbraw/zinc/38/52/61/447385261.db2.gz FBCVIOVJSLHGMV-UKRRQHHQSA-N 2 2 339.505 1.881 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+](CCO)[C@@H]3CCO[C@@H]3C)sc2C1 ZINC000449676080 447385268 /nfs/dbraw/zinc/38/52/68/447385268.db2.gz FBCVIOVJSLHGMV-UKRRQHHQSA-N 2 2 339.505 1.881 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+](CCO)[C@@H]3CCO[C@@H]3C)sc2C1 ZINC000449676080 447385272 /nfs/dbraw/zinc/38/52/72/447385272.db2.gz FBCVIOVJSLHGMV-UKRRQHHQSA-N 2 2 339.505 1.881 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+](CCO)[C@@H]3CCO[C@@H]3C)sc2C1 ZINC000449676080 447385279 /nfs/dbraw/zinc/38/52/79/447385279.db2.gz FBCVIOVJSLHGMV-UKRRQHHQSA-N 2 2 339.505 1.881 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)([NH+](C)C)C1 ZINC000378080841 447400489 /nfs/dbraw/zinc/40/04/89/447400489.db2.gz RRJVKYMQLLXIST-KYHPRHEASA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)([NH+](C)C)C1 ZINC000378080841 447400494 /nfs/dbraw/zinc/40/04/94/447400494.db2.gz RRJVKYMQLLXIST-KYHPRHEASA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000493829552 447402197 /nfs/dbraw/zinc/40/21/97/447402197.db2.gz XCENDFGFJQEMPJ-IEXSPKMKSA-N 2 2 340.427 1.722 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000493829552 447402203 /nfs/dbraw/zinc/40/22/03/447402203.db2.gz XCENDFGFJQEMPJ-IEXSPKMKSA-N 2 2 340.427 1.722 20 0 EDADLP COCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378496632 447434334 /nfs/dbraw/zinc/43/43/34/447434334.db2.gz QBDHIZODUJUWHJ-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP COCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378496632 447434342 /nfs/dbraw/zinc/43/43/42/447434342.db2.gz QBDHIZODUJUWHJ-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC000045571648 441003491 /nfs/dbraw/zinc/00/34/91/441003491.db2.gz JAXPQIYOISYZNS-GJZGRUSLSA-N 2 2 349.479 1.681 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000046098952 441081735 /nfs/dbraw/zinc/08/17/35/441081735.db2.gz HZYVQZWJUIULMH-OAHLLOKOSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000046098952 441081740 /nfs/dbraw/zinc/08/17/40/441081740.db2.gz HZYVQZWJUIULMH-OAHLLOKOSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000105179811 441240752 /nfs/dbraw/zinc/24/07/52/441240752.db2.gz GTIVHZNBORYTJJ-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000105179811 441240756 /nfs/dbraw/zinc/24/07/56/441240756.db2.gz GTIVHZNBORYTJJ-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP Cc1nc2[nH]ccc2c(NCCCC[NH+]2CCN(CCO)CC2)[nH+]1 ZINC000080984880 441217559 /nfs/dbraw/zinc/21/75/59/441217559.db2.gz OYCGZWNSZOOPEN-UHFFFAOYSA-N 2 2 332.452 1.068 20 0 EDADLP C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1CCN(c2cccc[nH+]2)CC1 ZINC000080983433 441217698 /nfs/dbraw/zinc/21/76/98/441217698.db2.gz CGTKFUNHLJSOEJ-UHFFFAOYSA-N 2 2 347.463 1.607 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1CCN(c2cccc[nH+]2)CC1 ZINC000080983433 441217703 /nfs/dbraw/zinc/21/77/03/441217703.db2.gz CGTKFUNHLJSOEJ-UHFFFAOYSA-N 2 2 347.463 1.607 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000104938363 441223550 /nfs/dbraw/zinc/22/35/50/441223550.db2.gz FWIQIGMGVPYYPG-JZXOWHBKSA-N 2 2 333.476 1.905 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000104938363 441223555 /nfs/dbraw/zinc/22/35/55/441223555.db2.gz FWIQIGMGVPYYPG-JZXOWHBKSA-N 2 2 333.476 1.905 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000059308470 441228008 /nfs/dbraw/zinc/22/80/08/441228008.db2.gz SXOSMUHIAFLBLW-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CCCC1 ZINC000047834555 441229509 /nfs/dbraw/zinc/22/95/09/441229509.db2.gz FDAJMBSFMMJBIQ-UHFFFAOYSA-N 2 2 342.447 1.941 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000081350219 441256664 /nfs/dbraw/zinc/25/66/64/441256664.db2.gz ZMLIPAXEFODYAE-HNNXBMFYSA-N 2 2 328.416 1.797 20 0 EDADLP C[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000105787633 441268487 /nfs/dbraw/zinc/26/84/87/441268487.db2.gz VUHATDOXGBRWKM-OWCLPIDISA-N 2 2 333.480 1.970 20 0 EDADLP C[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000105787633 441268492 /nfs/dbraw/zinc/26/84/92/441268492.db2.gz VUHATDOXGBRWKM-OWCLPIDISA-N 2 2 333.480 1.970 20 0 EDADLP C[NH+](C)C1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCC1 ZINC000073444450 441318301 /nfs/dbraw/zinc/31/83/01/441318301.db2.gz IFUAHCDEAVTGCF-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000073947042 441371733 /nfs/dbraw/zinc/37/17/33/441371733.db2.gz IHOGJZMOCPVKGL-IRXDYDNUSA-N 2 2 345.491 1.002 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000073947042 441371735 /nfs/dbraw/zinc/37/17/35/441371735.db2.gz IHOGJZMOCPVKGL-IRXDYDNUSA-N 2 2 345.491 1.002 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[NH+](CCOC(C)C)CC3)[nH+]c12 ZINC000074390397 441429774 /nfs/dbraw/zinc/42/97/74/441429774.db2.gz KSVMGNNURJVTQC-UHFFFAOYSA-N 2 2 344.459 1.754 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)[NH+]1CCOCC1 ZINC000053094604 441497686 /nfs/dbraw/zinc/49/76/86/441497686.db2.gz YRRJSHSSOXJZJG-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)[NH+]1CCOCC1 ZINC000053094604 441497689 /nfs/dbraw/zinc/49/76/89/441497689.db2.gz YRRJSHSSOXJZJG-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751122 441504169 /nfs/dbraw/zinc/50/41/69/441504169.db2.gz GGKIVMFSQQYDFL-WMZOPIPTSA-N 2 2 338.540 1.782 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109751122 441504171 /nfs/dbraw/zinc/50/41/71/441504171.db2.gz GGKIVMFSQQYDFL-WMZOPIPTSA-N 2 2 338.540 1.782 20 0 EDADLP C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[N@H+](C)C1CC1 ZINC000075960898 441572348 /nfs/dbraw/zinc/57/23/48/441572348.db2.gz FZOLIPRMHVUKHI-CQSZACIVSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[N@@H+](C)C1CC1 ZINC000075960898 441572351 /nfs/dbraw/zinc/57/23/51/441572351.db2.gz FZOLIPRMHVUKHI-CQSZACIVSA-N 2 2 347.463 1.200 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)ccc2[nH+]1 ZINC000090478405 441631025 /nfs/dbraw/zinc/63/10/25/441631025.db2.gz QMJCSZFLCHJLJS-INIZCTEOSA-N 2 2 343.431 1.971 20 0 EDADLP Cn1cc([C@H](CO)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000090885604 441645574 /nfs/dbraw/zinc/64/55/74/441645574.db2.gz NNCJLYJKPJMZSO-IBGZPJMESA-N 2 2 328.460 1.750 20 0 EDADLP CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000114458947 441658673 /nfs/dbraw/zinc/65/86/73/441658673.db2.gz HDEAFPRVHHAZBA-ROUUACIJSA-N 2 2 349.475 1.549 20 0 EDADLP CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000114458947 441658675 /nfs/dbraw/zinc/65/86/75/441658675.db2.gz HDEAFPRVHHAZBA-ROUUACIJSA-N 2 2 349.475 1.549 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000067618848 441659304 /nfs/dbraw/zinc/65/93/04/441659304.db2.gz ATUXEDADWQQIKX-MRXNPFEDSA-N 2 2 349.479 1.040 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114477417 441662356 /nfs/dbraw/zinc/66/23/56/441662356.db2.gz FTAOQIAZVBYFIR-QGZVFWFLSA-N 2 2 349.475 1.212 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114477417 441662358 /nfs/dbraw/zinc/66/23/58/441662358.db2.gz FTAOQIAZVBYFIR-QGZVFWFLSA-N 2 2 349.475 1.212 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000113514712 441613360 /nfs/dbraw/zinc/61/33/60/441613360.db2.gz GTFNHUJSQLEJTA-ROUUACIJSA-N 2 2 344.503 1.513 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000113514712 441613363 /nfs/dbraw/zinc/61/33/63/441613363.db2.gz GTFNHUJSQLEJTA-ROUUACIJSA-N 2 2 344.503 1.513 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2COc3ccc(F)cc3C2)CC1 ZINC000121440148 441705627 /nfs/dbraw/zinc/70/56/27/441705627.db2.gz MYHKFBAWDVWYHX-HNNXBMFYSA-N 2 2 349.450 1.519 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000136958484 441735017 /nfs/dbraw/zinc/73/50/17/441735017.db2.gz NYJMNPXZSBELGV-HOTGVXAUSA-N 2 2 345.491 1.869 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000136958484 441735023 /nfs/dbraw/zinc/73/50/23/441735023.db2.gz NYJMNPXZSBELGV-HOTGVXAUSA-N 2 2 345.491 1.869 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121621857 441745256 /nfs/dbraw/zinc/74/52/56/441745256.db2.gz SYOKRXGYLBXURI-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121621857 441745264 /nfs/dbraw/zinc/74/52/64/441745264.db2.gz SYOKRXGYLBXURI-LJQANCHMSA-N 2 2 345.487 1.878 20 0 EDADLP Cc1cccc(NC2CC[NH+](CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)[nH+]1 ZINC000077316893 441754658 /nfs/dbraw/zinc/75/46/58/441754658.db2.gz MFVLCGOOJAHEBY-HOTGVXAUSA-N 2 2 346.475 1.902 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000139435306 441817464 /nfs/dbraw/zinc/81/74/64/441817464.db2.gz FTGQISDFVXZJRQ-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000139435306 441817466 /nfs/dbraw/zinc/81/74/66/441817466.db2.gz FTGQISDFVXZJRQ-MSOLQXFVSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000137605218 441775609 /nfs/dbraw/zinc/77/56/09/441775609.db2.gz BETPYDLYEUAJJX-SUMWQHHRSA-N 2 2 334.439 1.190 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCC[N@@H+]3C)c[nH+]2)CCO1 ZINC000139539730 441820789 /nfs/dbraw/zinc/82/07/89/441820789.db2.gz VROLRUQEOSWRAX-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]3CCC[N@H+]3C)c[nH+]2)CCO1 ZINC000139539730 441820793 /nfs/dbraw/zinc/82/07/93/441820793.db2.gz VROLRUQEOSWRAX-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000077809063 441865043 /nfs/dbraw/zinc/86/50/43/441865043.db2.gz QMLVMUOMIIGISX-GFCCVEGCSA-N 2 2 345.369 1.825 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077809063 441865050 /nfs/dbraw/zinc/86/50/50/441865050.db2.gz QMLVMUOMIIGISX-GFCCVEGCSA-N 2 2 345.369 1.825 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000173974036 441871970 /nfs/dbraw/zinc/87/19/70/441871970.db2.gz RVOFCIDQTZFEEE-CABCVRRESA-N 2 2 349.475 1.907 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000043160903 441823902 /nfs/dbraw/zinc/82/39/02/441823902.db2.gz XBLMCDACYCCOJS-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000043160903 441823906 /nfs/dbraw/zinc/82/39/06/441823906.db2.gz XBLMCDACYCCOJS-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000173707424 441826894 /nfs/dbraw/zinc/82/68/94/441826894.db2.gz MJCGAAXNBZSDAN-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000173707424 441826898 /nfs/dbraw/zinc/82/68/98/441826898.db2.gz MJCGAAXNBZSDAN-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000173707424 441826902 /nfs/dbraw/zinc/82/69/02/441826902.db2.gz MJCGAAXNBZSDAN-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000043312284 441834758 /nfs/dbraw/zinc/83/47/58/441834758.db2.gz XIBAGORRXPNZJC-UHFFFAOYSA-N 2 2 343.431 1.215 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124396504 441923763 /nfs/dbraw/zinc/92/37/63/441923763.db2.gz FGGLAOVDWPXOIA-ZDUSSCGKSA-N 2 2 330.388 1.961 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124396504 441923768 /nfs/dbraw/zinc/92/37/68/441923768.db2.gz FGGLAOVDWPXOIA-ZDUSSCGKSA-N 2 2 330.388 1.961 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccccc1I ZINC000123319029 441882978 /nfs/dbraw/zinc/88/29/78/441882978.db2.gz NENXTVXHFRJFGO-UHFFFAOYSA-N 2 2 347.200 1.510 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccccc1I ZINC000123319029 441882980 /nfs/dbraw/zinc/88/29/80/441882980.db2.gz NENXTVXHFRJFGO-UHFFFAOYSA-N 2 2 347.200 1.510 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000144977373 441887272 /nfs/dbraw/zinc/88/72/72/441887272.db2.gz HDQVDHVWDYJXKH-KRWDZBQOSA-N 2 2 330.432 1.976 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150821797 441957199 /nfs/dbraw/zinc/95/71/99/441957199.db2.gz CMSVBGQOCBSGIR-KRWDZBQOSA-N 2 2 345.487 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150821797 441957206 /nfs/dbraw/zinc/95/72/06/441957206.db2.gz CMSVBGQOCBSGIR-KRWDZBQOSA-N 2 2 345.487 1.772 20 0 EDADLP CCCOC(=O)[C@@H](C)N1CC[NH+](C2CC[NH+](CCC)CC2)CC1 ZINC000119866310 441965913 /nfs/dbraw/zinc/96/59/13/441965913.db2.gz SFPBOOWUOAJEAB-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP CC(C)[C@H](CCO)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000161917428 442044495 /nfs/dbraw/zinc/04/44/95/442044495.db2.gz NXDOXELERCZSKJ-INIZCTEOSA-N 2 2 339.505 1.389 20 0 EDADLP CC(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000161962092 442048584 /nfs/dbraw/zinc/04/85/84/442048584.db2.gz QHNKHBGVQOQWTC-SFHVURJKSA-N 2 2 349.475 1.454 20 0 EDADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccco1 ZINC000162003237 442054622 /nfs/dbraw/zinc/05/46/22/442054622.db2.gz CIJNMRWYILNCEB-CQSZACIVSA-N 2 2 328.416 1.938 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175735880 442113628 /nfs/dbraw/zinc/11/36/28/442113628.db2.gz PQFQQGPBVOJHTF-HLLBOEOZSA-N 2 2 349.479 1.190 20 0 EDADLP CO[C@]1(C)C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1(C)C ZINC000175838808 442132778 /nfs/dbraw/zinc/13/27/78/442132778.db2.gz RKJMRXNZGRFHNR-CRAIPNDOSA-N 2 2 340.512 1.515 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000162516247 442099959 /nfs/dbraw/zinc/09/99/59/442099959.db2.gz UCUWMVJWLJWVQY-GOSISDBHSA-N 2 2 331.460 1.694 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000162516247 442099961 /nfs/dbraw/zinc/09/99/61/442099961.db2.gz UCUWMVJWLJWVQY-GOSISDBHSA-N 2 2 331.460 1.694 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)c1 ZINC000176243736 442198868 /nfs/dbraw/zinc/19/88/68/442198868.db2.gz BWXQMHMSQXYRLL-KBXCAEBGSA-N 2 2 347.459 1.693 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)c1 ZINC000176243736 442198870 /nfs/dbraw/zinc/19/88/70/442198870.db2.gz BWXQMHMSQXYRLL-KBXCAEBGSA-N 2 2 347.459 1.693 20 0 EDADLP CCNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000120986558 442161467 /nfs/dbraw/zinc/16/14/67/442161467.db2.gz ICJMBBJRBAXGOS-UHFFFAOYSA-N 2 2 330.407 1.940 20 0 EDADLP C[NH+](C)CCNC(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000120991882 442162408 /nfs/dbraw/zinc/16/24/08/442162408.db2.gz JNFYYZDGFXEUGA-UHFFFAOYSA-N 2 2 348.428 1.174 20 0 EDADLP O=C(CC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000165143533 442207018 /nfs/dbraw/zinc/20/70/18/442207018.db2.gz VWQOTPZHOZSQPW-SFHVURJKSA-N 2 2 331.460 1.566 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152412244 442209969 /nfs/dbraw/zinc/20/99/69/442209969.db2.gz SXRHEDAVEZNYNQ-SFHVURJKSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000152412244 442209971 /nfs/dbraw/zinc/20/99/71/442209971.db2.gz SXRHEDAVEZNYNQ-SFHVURJKSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000152412244 442209974 /nfs/dbraw/zinc/20/99/74/442209974.db2.gz SXRHEDAVEZNYNQ-SFHVURJKSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000152412244 442209977 /nfs/dbraw/zinc/20/99/77/442209977.db2.gz SXRHEDAVEZNYNQ-SFHVURJKSA-N 2 2 333.476 1.723 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000170742068 442256272 /nfs/dbraw/zinc/25/62/72/442256272.db2.gz KLIGETVLIUVQDE-OAGGEKHMSA-N 2 2 335.452 1.166 20 0 EDADLP CCOC(=O)c1c[nH]n(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1=N ZINC000128666785 442281071 /nfs/dbraw/zinc/28/10/71/442281071.db2.gz VWULVEJIOKDARU-AWEZNQCLSA-N 2 2 349.479 1.594 20 0 EDADLP C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H](C)[NH+]1CCOCC1 ZINC000170918736 442288750 /nfs/dbraw/zinc/28/87/50/442288750.db2.gz MXPPBMGBVXDIRP-GJZGRUSLSA-N 2 2 334.464 1.979 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCSC1 ZINC000153786730 442302786 /nfs/dbraw/zinc/30/27/86/442302786.db2.gz QYLPUFSZWBPTSK-SFHVURJKSA-N 2 2 347.528 1.811 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129543973 442321790 /nfs/dbraw/zinc/32/17/90/442321790.db2.gz UACHAGYRBRQWCD-XMTFNYHQSA-N 2 2 337.508 1.534 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000171194211 442325579 /nfs/dbraw/zinc/32/55/79/442325579.db2.gz GIOFFECLROLQOK-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000171194211 442325582 /nfs/dbraw/zinc/32/55/82/442325582.db2.gz GIOFFECLROLQOK-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)c1nccs1 ZINC000177383253 442334550 /nfs/dbraw/zinc/33/45/50/442334550.db2.gz WISAECDMDNNMSV-UHFFFAOYSA-N 2 2 339.509 1.064 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)c1nccs1 ZINC000177383253 442334553 /nfs/dbraw/zinc/33/45/53/442334553.db2.gz WISAECDMDNNMSV-UHFFFAOYSA-N 2 2 339.509 1.064 20 0 EDADLP Cc1[nH]ncc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000130189671 442340766 /nfs/dbraw/zinc/34/07/66/442340766.db2.gz OKFYUVRBLNHKKQ-UHFFFAOYSA-N 2 2 341.459 1.834 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000130420611 442346657 /nfs/dbraw/zinc/34/66/57/442346657.db2.gz PDMBAVRNFJDZHH-SJLPKXTDSA-N 2 2 331.460 1.484 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)C[NH+]1CCCCC1 ZINC000171103981 442313052 /nfs/dbraw/zinc/31/30/52/442313052.db2.gz YSRPNFFMDOMENB-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)C[NH+]1CCCCC1 ZINC000171103981 442313055 /nfs/dbraw/zinc/31/30/55/442313055.db2.gz YSRPNFFMDOMENB-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP CC(C)N1CCC[C@@H]([NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000177715174 442374914 /nfs/dbraw/zinc/37/49/14/442374914.db2.gz CDKCMFYWIWLYQQ-QZTJIDSGSA-N 2 2 336.524 1.488 20 0 EDADLP CC(C)N1CCC[C@@H]([NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000177715174 442374915 /nfs/dbraw/zinc/37/49/15/442374915.db2.gz CDKCMFYWIWLYQQ-QZTJIDSGSA-N 2 2 336.524 1.488 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)[NH+]1CCSCC1 ZINC000133258329 442410097 /nfs/dbraw/zinc/41/00/97/442410097.db2.gz QFRMWUILKYZGLW-AWEZNQCLSA-N 2 2 330.457 1.926 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000133819242 442435646 /nfs/dbraw/zinc/43/56/46/442435646.db2.gz RKHSMHTUNWFFMA-MRXNPFEDSA-N 2 2 344.484 1.985 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000155958649 442439283 /nfs/dbraw/zinc/43/92/83/442439283.db2.gz DWJROMLKERPDHS-NSHDSACASA-N 2 2 331.445 1.919 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)sc2C1 ZINC000155958649 442439285 /nfs/dbraw/zinc/43/92/85/442439285.db2.gz DWJROMLKERPDHS-NSHDSACASA-N 2 2 331.445 1.919 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1CCOCC1 ZINC000156084722 442446352 /nfs/dbraw/zinc/44/63/52/442446352.db2.gz DMNTUQHMKBGBAP-UHFFFAOYSA-N 2 2 335.448 1.282 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1CCOCC1 ZINC000156084722 442446356 /nfs/dbraw/zinc/44/63/56/442446356.db2.gz DMNTUQHMKBGBAP-UHFFFAOYSA-N 2 2 335.448 1.282 20 0 EDADLP COc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)on1 ZINC000156270095 442461903 /nfs/dbraw/zinc/46/19/03/442461903.db2.gz XSCRENHQOIGIGK-UHFFFAOYSA-N 2 2 336.436 1.363 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000172462391 442468031 /nfs/dbraw/zinc/46/80/31/442468031.db2.gz MXUTVSLGCCXCAL-HNNXBMFYSA-N 2 2 344.459 1.683 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178754909 442475675 /nfs/dbraw/zinc/47/56/75/442475675.db2.gz XDAWNYANVNWKRI-MRXNPFEDSA-N 2 2 330.457 1.643 20 0 EDADLP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000186453484 442537567 /nfs/dbraw/zinc/53/75/67/442537567.db2.gz YPFTYDPZGUCGQW-QGZVFWFLSA-N 2 2 332.448 1.866 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC000178973151 442542219 /nfs/dbraw/zinc/54/22/19/442542219.db2.gz MADIEGPMUWMUQP-UHFFFAOYSA-N 2 2 331.460 1.442 20 0 EDADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192059474 442581477 /nfs/dbraw/zinc/58/14/77/442581477.db2.gz CQJOULILQIXXNA-QGZVFWFLSA-N 2 2 329.400 1.945 20 0 EDADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000192059474 442581483 /nfs/dbraw/zinc/58/14/83/442581483.db2.gz CQJOULILQIXXNA-QGZVFWFLSA-N 2 2 329.400 1.945 20 0 EDADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nccc(N)n3)CC2)C[C@H](C)O1 ZINC000135130982 442559919 /nfs/dbraw/zinc/55/99/19/442559919.db2.gz DOCRUEUBJNDMKI-GJZGRUSLSA-N 2 2 333.480 1.770 20 0 EDADLP C[C@H](c1ccncc1)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179280714 442612392 /nfs/dbraw/zinc/61/23/92/442612392.db2.gz CHVLUDSHNWTMTR-OAHLLOKOSA-N 2 2 333.480 1.810 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000173180064 442618701 /nfs/dbraw/zinc/61/87/01/442618701.db2.gz FHGUHHGEZPXBIT-MAUKXSAKSA-N 2 2 337.508 1.724 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000173180064 442618707 /nfs/dbraw/zinc/61/87/07/442618707.db2.gz FHGUHHGEZPXBIT-MAUKXSAKSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181031001 442675961 /nfs/dbraw/zinc/67/59/61/442675961.db2.gz CQBIVINIKMNOEU-YJBOKZPZSA-N 2 2 349.450 1.279 20 0 EDADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000181034775 442676913 /nfs/dbraw/zinc/67/69/13/442676913.db2.gz WSXDSVVPKMYLNH-YOEHRIQHSA-N 2 2 335.423 1.409 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000181034757 442676957 /nfs/dbraw/zinc/67/69/57/442676957.db2.gz WSXDSVVPKMYLNH-RHSMWYFYSA-N 2 2 335.423 1.409 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192826525 442690475 /nfs/dbraw/zinc/69/04/75/442690475.db2.gz YBJQSGBFULBWBN-PKOBYXMFSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCCN1CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192826525 442690478 /nfs/dbraw/zinc/69/04/78/442690478.db2.gz YBJQSGBFULBWBN-PKOBYXMFSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCCN1CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192826525 442690480 /nfs/dbraw/zinc/69/04/80/442690480.db2.gz YBJQSGBFULBWBN-PKOBYXMFSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCCN1CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192826525 442690482 /nfs/dbraw/zinc/69/04/82/442690482.db2.gz YBJQSGBFULBWBN-PKOBYXMFSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCN1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192826525 442690484 /nfs/dbraw/zinc/69/04/84/442690484.db2.gz YBJQSGBFULBWBN-PKOBYXMFSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCC[N@H+]1CCN1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000192826525 442690487 /nfs/dbraw/zinc/69/04/87/442690487.db2.gz YBJQSGBFULBWBN-PKOBYXMFSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCC[NH+]1CCN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000192826525 442690489 /nfs/dbraw/zinc/69/04/89/442690489.db2.gz YBJQSGBFULBWBN-PKOBYXMFSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@H]1COCC[NH+]1CCN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192826525 442690491 /nfs/dbraw/zinc/69/04/91/442690491.db2.gz YBJQSGBFULBWBN-PKOBYXMFSA-N 2 2 332.492 1.556 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCCCO)CC2)CC1 ZINC000193064445 442709705 /nfs/dbraw/zinc/70/97/05/442709705.db2.gz FYNJCFZOVPLPKS-UHFFFAOYSA-N 2 2 326.485 1.007 20 0 EDADLP CC(C)(C)OC(=O)CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000181750063 442714391 /nfs/dbraw/zinc/71/43/91/442714391.db2.gz WGPLNXNEUCWKFU-UHFFFAOYSA-N 2 2 339.480 1.348 20 0 EDADLP CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000193814975 442792531 /nfs/dbraw/zinc/79/25/31/442792531.db2.gz SWMIFFKGLKVYSZ-CQSZACIVSA-N 2 2 339.480 1.203 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)NCc2cn3c(cccc3C)[nH+]2)C1 ZINC000265506283 442800419 /nfs/dbraw/zinc/80/04/19/442800419.db2.gz DWLBIJCWHMVGTM-AWEZNQCLSA-N 2 2 331.420 1.163 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)NCc2cn3c(cccc3C)[nH+]2)C1 ZINC000265506283 442800423 /nfs/dbraw/zinc/80/04/23/442800423.db2.gz DWLBIJCWHMVGTM-AWEZNQCLSA-N 2 2 331.420 1.163 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@@H](C)C1 ZINC000246407454 442779393 /nfs/dbraw/zinc/77/93/93/442779393.db2.gz AXSFYGYQYJXMDX-AAEUAGOBSA-N 2 2 335.477 1.622 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@@H](C)C1 ZINC000246407454 442779394 /nfs/dbraw/zinc/77/93/94/442779394.db2.gz AXSFYGYQYJXMDX-AAEUAGOBSA-N 2 2 335.477 1.622 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@@H](C)C1 ZINC000246407454 442779398 /nfs/dbraw/zinc/77/93/98/442779398.db2.gz AXSFYGYQYJXMDX-AAEUAGOBSA-N 2 2 335.477 1.622 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nn3c(nc(C)cc3=O)s2)[C@@H](C)C1 ZINC000246407454 442779401 /nfs/dbraw/zinc/77/94/01/442779401.db2.gz AXSFYGYQYJXMDX-AAEUAGOBSA-N 2 2 335.477 1.622 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247044640 442831230 /nfs/dbraw/zinc/83/12/30/442831230.db2.gz RULHYZVCWRVPDN-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247044640 442831232 /nfs/dbraw/zinc/83/12/32/442831232.db2.gz RULHYZVCWRVPDN-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247044640 442831234 /nfs/dbraw/zinc/83/12/34/442831234.db2.gz RULHYZVCWRVPDN-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247044640 442831236 /nfs/dbraw/zinc/83/12/36/442831236.db2.gz RULHYZVCWRVPDN-HOTGVXAUSA-N 2 2 339.480 1.204 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1CCO ZINC000188878152 442833159 /nfs/dbraw/zinc/83/31/59/442833159.db2.gz AHHFMLHBIPQIHL-CQSZACIVSA-N 2 2 343.431 1.617 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1CCO ZINC000188878152 442833164 /nfs/dbraw/zinc/83/31/64/442833164.db2.gz AHHFMLHBIPQIHL-CQSZACIVSA-N 2 2 343.431 1.617 20 0 EDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000268047489 442828746 /nfs/dbraw/zinc/82/87/46/442828746.db2.gz QSNHXOYXZPCXON-ZDUSSCGKSA-N 2 2 328.420 1.091 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000194017853 442829671 /nfs/dbraw/zinc/82/96/71/442829671.db2.gz BNXXCSKSNMJUPH-HUUCEWRRSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000194017853 442829675 /nfs/dbraw/zinc/82/96/75/442829675.db2.gz BNXXCSKSNMJUPH-HUUCEWRRSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1nn(C)c(CC)c1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000188937424 442845612 /nfs/dbraw/zinc/84/56/12/442845612.db2.gz ZKLKOSFOSQITPI-UHFFFAOYSA-N 2 2 349.523 1.230 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000163232905 318425357 /nfs/dbraw/zinc/42/53/57/318425357.db2.gz GLEFRYVMCYQXBZ-AWEZNQCLSA-N 2 2 346.431 1.068 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(=O)OC ZINC000248155852 442885236 /nfs/dbraw/zinc/88/52/36/442885236.db2.gz RIUHCWWVZDHBBO-JKQORVJESA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(=O)OC ZINC000248155852 442885239 /nfs/dbraw/zinc/88/52/39/442885239.db2.gz RIUHCWWVZDHBBO-JKQORVJESA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(=O)OC ZINC000248155852 442885241 /nfs/dbraw/zinc/88/52/41/442885241.db2.gz RIUHCWWVZDHBBO-JKQORVJESA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(=O)OC ZINC000248155852 442885244 /nfs/dbraw/zinc/88/52/44/442885244.db2.gz RIUHCWWVZDHBBO-JKQORVJESA-N 2 2 339.480 1.106 20 0 EDADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000182292626 318503016 /nfs/dbraw/zinc/50/30/16/318503016.db2.gz ICPGHDHJDRRKHP-SJORKVTESA-N 2 2 346.475 1.668 20 0 EDADLP CC(C)[NH2+]C1CCN(CC(O)C[NH+]2CCC([NH2+]C(C)C)CC2)CC1 ZINC000194720729 442943012 /nfs/dbraw/zinc/94/30/12/442943012.db2.gz IJSBHJLIRFBXRZ-UHFFFAOYSA-N 3 2 340.556 1.272 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1c[nH+]cn1C ZINC000187122706 318553739 /nfs/dbraw/zinc/55/37/39/318553739.db2.gz JBTIGYMDQYFAJU-INIZCTEOSA-N 2 2 341.459 1.290 20 0 EDADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183745754 442957852 /nfs/dbraw/zinc/95/78/52/442957852.db2.gz NPEBEMAZSGCSRN-IRXDYDNUSA-N 2 2 343.537 1.797 20 0 EDADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183745754 442957858 /nfs/dbraw/zinc/95/78/58/442957858.db2.gz NPEBEMAZSGCSRN-IRXDYDNUSA-N 2 2 343.537 1.797 20 0 EDADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183745754 442957861 /nfs/dbraw/zinc/95/78/61/442957861.db2.gz NPEBEMAZSGCSRN-IRXDYDNUSA-N 2 2 343.537 1.797 20 0 EDADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183745754 442957865 /nfs/dbraw/zinc/95/78/65/442957865.db2.gz NPEBEMAZSGCSRN-IRXDYDNUSA-N 2 2 343.537 1.797 20 0 EDADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000183796004 442964634 /nfs/dbraw/zinc/96/46/34/442964634.db2.gz AEOFJJYGEGSVDH-KZNAEPCWSA-N 2 2 337.508 1.726 20 0 EDADLP Cc1nc(N2CC[NH+](CCC(=O)Nc3ccccc3)CC2)cc[nH+]1 ZINC000183800347 442966151 /nfs/dbraw/zinc/96/61/51/442966151.db2.gz MFTNNDIKJXEUAR-UHFFFAOYSA-N 2 2 325.416 1.936 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000249507503 442979572 /nfs/dbraw/zinc/97/95/72/442979572.db2.gz LKGQHWZNZPZHJR-WMZOPIPTSA-N 2 2 333.476 1.595 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000249507503 442979576 /nfs/dbraw/zinc/97/95/76/442979576.db2.gz LKGQHWZNZPZHJR-WMZOPIPTSA-N 2 2 333.476 1.595 20 0 EDADLP Nc1nc(-n2cccn2)cc(NCc2ccc(N3CCCC3)[nH+]c2)[nH+]1 ZINC000268452287 442994470 /nfs/dbraw/zinc/99/44/70/442994470.db2.gz VXINIUOERUGVOX-UHFFFAOYSA-N 2 2 336.403 1.852 20 0 EDADLP O=C(NCCC[NH+]1CCOCC1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184243554 443005141 /nfs/dbraw/zinc/00/51/41/443005141.db2.gz WMWSSZQXXVUWNK-UHFFFAOYSA-N 2 2 347.463 1.026 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249765332 443003877 /nfs/dbraw/zinc/00/38/77/443003877.db2.gz IMBSZMYCUCRJRM-TWMKSMIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249765332 443003879 /nfs/dbraw/zinc/00/38/79/443003879.db2.gz IMBSZMYCUCRJRM-TWMKSMIVSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C)OC(C)(C)C2)CC1 ZINC000190557322 443136016 /nfs/dbraw/zinc/13/60/16/443136016.db2.gz IQRDZKSHYRVASX-UHFFFAOYSA-N 2 2 325.497 1.865 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2)C1 ZINC000268881274 443136325 /nfs/dbraw/zinc/13/63/25/443136325.db2.gz HVCXITQJFZAGSZ-GDBMZVCRSA-N 2 2 335.448 1.723 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2)C1 ZINC000268881274 443136329 /nfs/dbraw/zinc/13/63/29/443136329.db2.gz HVCXITQJFZAGSZ-GDBMZVCRSA-N 2 2 335.448 1.723 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000268774334 443104720 /nfs/dbraw/zinc/10/47/20/443104720.db2.gz UXXGJPPJVSNGQM-BPQIPLTHSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000268774334 443104721 /nfs/dbraw/zinc/10/47/21/443104721.db2.gz UXXGJPPJVSNGQM-BPQIPLTHSA-N 2 2 336.501 1.921 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc[nH+]1 ZINC000185028296 443121346 /nfs/dbraw/zinc/12/13/46/443121346.db2.gz QWQCLSVEJWOQER-CVEARBPZSA-N 2 2 346.479 1.489 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000237309416 443168141 /nfs/dbraw/zinc/16/81/41/443168141.db2.gz QFMZKLWHMQDMBG-AWEZNQCLSA-N 2 2 332.448 1.061 20 0 EDADLP CC(C)CC[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000190746832 443175649 /nfs/dbraw/zinc/17/56/49/443175649.db2.gz NXBUFMRFUVFREO-MRXNPFEDSA-N 2 2 333.480 1.918 20 0 EDADLP [NH3+]C1CC[NH+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000237871831 443184901 /nfs/dbraw/zinc/18/49/01/443184901.db2.gz NRCQLZGTXVFKAF-UHFFFAOYSA-N 2 2 345.365 1.624 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268933042 443151208 /nfs/dbraw/zinc/15/12/08/443151208.db2.gz ZCIRAVUPVGJKBQ-QGZVFWFLSA-N 2 2 334.439 1.747 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268933042 443151211 /nfs/dbraw/zinc/15/12/11/443151211.db2.gz ZCIRAVUPVGJKBQ-QGZVFWFLSA-N 2 2 334.439 1.747 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCCn4cc[nH+]c43)CC2)CCO1 ZINC000245419003 443225944 /nfs/dbraw/zinc/22/59/44/443225944.db2.gz LMDGECPQXRNVSZ-HOCLYGCPSA-N 2 2 332.448 1.472 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(C(=O)[C@H]3CCCn4cc[nH+]c43)CC2)CCO1 ZINC000245419003 443225946 /nfs/dbraw/zinc/22/59/46/443225946.db2.gz LMDGECPQXRNVSZ-HOCLYGCPSA-N 2 2 332.448 1.472 20 0 EDADLP CC[NH+]1CCN(C(=O)Cc2noc(C[NH+]3[C@H](C)CC[C@H]3C)n2)CC1 ZINC000350715452 319064423 /nfs/dbraw/zinc/06/44/23/319064423.db2.gz YZBPBANCYGDJDX-ZIAGYGMSSA-N 2 2 335.452 1.149 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C[N@@H+]1C1CC1 ZINC000397448964 319134542 /nfs/dbraw/zinc/13/45/42/319134542.db2.gz LBYXKLMUJPFFCR-YCPHGPKFSA-N 2 2 339.480 1.837 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C[N@H+]1C1CC1 ZINC000397448964 319134543 /nfs/dbraw/zinc/13/45/43/319134543.db2.gz LBYXKLMUJPFFCR-YCPHGPKFSA-N 2 2 339.480 1.837 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000266819419 443254697 /nfs/dbraw/zinc/25/46/97/443254697.db2.gz JFIVDIPXBDTVBV-ULQDDVLXSA-N 2 2 333.476 1.732 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000266819419 443254700 /nfs/dbraw/zinc/25/47/00/443254700.db2.gz JFIVDIPXBDTVBV-ULQDDVLXSA-N 2 2 333.476 1.732 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000413917508 319302473 /nfs/dbraw/zinc/30/24/73/319302473.db2.gz KAEMUEXPWOTLFD-SJORKVTESA-N 2 2 347.459 1.243 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000413917508 319302475 /nfs/dbraw/zinc/30/24/75/319302475.db2.gz KAEMUEXPWOTLFD-SJORKVTESA-N 2 2 347.459 1.243 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000413917508 319302476 /nfs/dbraw/zinc/30/24/76/319302476.db2.gz KAEMUEXPWOTLFD-SJORKVTESA-N 2 2 347.459 1.243 20 0 EDADLP CC[NH+](C)[C@H](C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)c1ccccc1 ZINC000413917508 319302477 /nfs/dbraw/zinc/30/24/77/319302477.db2.gz KAEMUEXPWOTLFD-SJORKVTESA-N 2 2 347.459 1.243 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000266927901 443292928 /nfs/dbraw/zinc/29/29/28/443292928.db2.gz XZLFHKYZENPHNA-DLBZAZTESA-N 2 2 333.476 1.591 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000266927901 443292934 /nfs/dbraw/zinc/29/29/34/443292934.db2.gz XZLFHKYZENPHNA-DLBZAZTESA-N 2 2 333.476 1.591 20 0 EDADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2cn(C(C)(C)C)nn2)ccn1 ZINC000191510679 443305265 /nfs/dbraw/zinc/30/52/65/443305265.db2.gz YPOBTGZGVWKEFP-UHFFFAOYSA-N 2 2 332.452 1.658 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416909811 319471816 /nfs/dbraw/zinc/47/18/16/319471816.db2.gz QVWXDKAGGAYDEA-XJKSGUPXSA-N 2 2 345.447 1.673 20 0 EDADLP C[N@@H+](CC(N)=O)C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CCO1 ZINC000282385728 443323131 /nfs/dbraw/zinc/32/31/31/443323131.db2.gz ZKBNGLLQWVRFMZ-ZDUSSCGKSA-N 2 2 348.834 1.511 20 0 EDADLP C[N@H+](CC(N)=O)C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CCO1 ZINC000282385728 443323135 /nfs/dbraw/zinc/32/31/35/443323135.db2.gz ZKBNGLLQWVRFMZ-ZDUSSCGKSA-N 2 2 348.834 1.511 20 0 EDADLP CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000267076609 443333906 /nfs/dbraw/zinc/33/39/06/443333906.db2.gz ILPZDESAGKDOAX-LSDHHAIUSA-N 2 2 332.448 1.328 20 0 EDADLP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000267076609 443333908 /nfs/dbraw/zinc/33/39/08/443333908.db2.gz ILPZDESAGKDOAX-LSDHHAIUSA-N 2 2 332.448 1.328 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000418452094 319501823 /nfs/dbraw/zinc/50/18/23/319501823.db2.gz WWJQARHHIVQMFH-CQSZACIVSA-N 2 2 339.509 1.796 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000278595946 443372775 /nfs/dbraw/zinc/37/27/75/443372775.db2.gz LOQYPINZHCFTHN-HZPDHXFCSA-N 2 2 347.459 1.869 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCSC1 ZINC000267164502 443363353 /nfs/dbraw/zinc/36/33/53/443363353.db2.gz JXNHXTMKVXMGSS-CJNGLKHVSA-N 2 2 337.493 1.736 20 0 EDADLP C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1=CC[N@H+](C)CC1 ZINC000272652852 443397619 /nfs/dbraw/zinc/39/76/19/443397619.db2.gz AVZZOJKGGFZBPP-OAHLLOKOSA-N 2 2 329.448 1.564 20 0 EDADLP C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272652852 443397624 /nfs/dbraw/zinc/39/76/24/443397624.db2.gz AVZZOJKGGFZBPP-OAHLLOKOSA-N 2 2 329.448 1.564 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000264749506 443404630 /nfs/dbraw/zinc/40/46/30/443404630.db2.gz APIUHYYEJAAXRJ-KRWDZBQOSA-N 2 2 333.501 1.816 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000264749506 443404632 /nfs/dbraw/zinc/40/46/32/443404632.db2.gz APIUHYYEJAAXRJ-KRWDZBQOSA-N 2 2 333.501 1.816 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000282948018 443477797 /nfs/dbraw/zinc/47/77/97/443477797.db2.gz NDEDJBVLKQTOEX-LSDHHAIUSA-N 2 2 325.840 1.390 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000282948018 443477802 /nfs/dbraw/zinc/47/78/02/443477802.db2.gz NDEDJBVLKQTOEX-LSDHHAIUSA-N 2 2 325.840 1.390 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[NH+]1CCSCC1 ZINC000264861503 443457163 /nfs/dbraw/zinc/45/71/63/443457163.db2.gz NNWZQGWYKQMZMT-CYBMUJFWSA-N 2 2 325.482 1.176 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1C ZINC000267636755 443522533 /nfs/dbraw/zinc/52/25/33/443522533.db2.gz RXQHVZOGHMVOOC-INIZCTEOSA-N 2 2 344.463 1.588 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC[C@@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000423758434 319811441 /nfs/dbraw/zinc/81/14/41/319811441.db2.gz NPFFFKZBOKSPPL-TZMCWYRMSA-N 2 2 325.478 1.673 20 0 EDADLP CC(C)(C)[C@H](CO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000265415656 443634755 /nfs/dbraw/zinc/63/47/55/443634755.db2.gz GQERUDWTXFQYSV-HNNXBMFYSA-N 2 2 334.464 1.117 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000286053363 443635370 /nfs/dbraw/zinc/63/53/70/443635370.db2.gz SNMQXLHBMOFPFI-KZNAEPCWSA-N 2 2 346.475 1.404 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000286053363 443635373 /nfs/dbraw/zinc/63/53/73/443635373.db2.gz SNMQXLHBMOFPFI-KZNAEPCWSA-N 2 2 346.475 1.404 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C[C@H]1C ZINC000439962183 320056024 /nfs/dbraw/zinc/05/60/24/320056024.db2.gz PIKXVTRHYWAMMK-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C[C@H]1C ZINC000439962183 320056027 /nfs/dbraw/zinc/05/60/27/320056027.db2.gz PIKXVTRHYWAMMK-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC000439962183 320056030 /nfs/dbraw/zinc/05/60/30/320056030.db2.gz PIKXVTRHYWAMMK-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC000439962183 320056032 /nfs/dbraw/zinc/05/60/32/320056032.db2.gz PIKXVTRHYWAMMK-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000439962179 320056288 /nfs/dbraw/zinc/05/62/88/320056288.db2.gz PIKXVTRHYWAMMK-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000439962179 320056290 /nfs/dbraw/zinc/05/62/90/320056290.db2.gz PIKXVTRHYWAMMK-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1C ZINC000439962179 320056291 /nfs/dbraw/zinc/05/62/91/320056291.db2.gz PIKXVTRHYWAMMK-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1C ZINC000439962179 320056293 /nfs/dbraw/zinc/05/62/93/320056293.db2.gz PIKXVTRHYWAMMK-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449386389 320186659 /nfs/dbraw/zinc/18/66/59/320186659.db2.gz IBXWYAVULOSMKL-FUHWJXTLSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449386389 320186661 /nfs/dbraw/zinc/18/66/61/320186661.db2.gz IBXWYAVULOSMKL-FUHWJXTLSA-N 2 2 333.476 1.864 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000453979888 320275003 /nfs/dbraw/zinc/27/50/03/320275003.db2.gz QRLRWLSAEZKPJC-QGZVFWFLSA-N 2 2 344.459 1.513 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000453979888 320275005 /nfs/dbraw/zinc/27/50/05/320275005.db2.gz QRLRWLSAEZKPJC-QGZVFWFLSA-N 2 2 344.459 1.513 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000453979888 320275007 /nfs/dbraw/zinc/27/50/07/320275007.db2.gz QRLRWLSAEZKPJC-QGZVFWFLSA-N 2 2 344.459 1.513 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000453979888 320275009 /nfs/dbraw/zinc/27/50/09/320275009.db2.gz QRLRWLSAEZKPJC-QGZVFWFLSA-N 2 2 344.459 1.513 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000478254493 320353836 /nfs/dbraw/zinc/35/38/36/320353836.db2.gz NRCHZGUKDBSHCO-KKUMJFAQSA-N 2 2 349.479 1.445 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(=O)[nH]n1 ZINC000286292997 443684301 /nfs/dbraw/zinc/68/43/01/443684301.db2.gz WIHQGYQGLPIFKO-ZVZYQTTQSA-N 2 2 342.443 1.304 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1cccc(O)c1 ZINC000492757757 320384926 /nfs/dbraw/zinc/38/49/26/320384926.db2.gz CDKJEVGWGDMIGC-FPLPWBNLSA-N 2 2 331.460 1.890 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1cccc(O)c1 ZINC000492757757 320384927 /nfs/dbraw/zinc/38/49/27/320384927.db2.gz CDKJEVGWGDMIGC-FPLPWBNLSA-N 2 2 331.460 1.890 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2(c3ccccn3)CCC2)C[C@@H](C)O1 ZINC000518364133 320455943 /nfs/dbraw/zinc/45/59/43/320455943.db2.gz NIQLKQFTUZSQKT-BRWVUGGUSA-N 2 2 333.476 1.563 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cnc4n3CCC4)CC2)CC1 ZINC000616380999 450406247 /nfs/dbraw/zinc/40/62/47/450406247.db2.gz GTYPQKKZYBHTRI-UHFFFAOYSA-N 2 2 345.491 1.462 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cnc4n3CCC4)CC2)CC1 ZINC000616380999 450406252 /nfs/dbraw/zinc/40/62/52/450406252.db2.gz GTYPQKKZYBHTRI-UHFFFAOYSA-N 2 2 345.491 1.462 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)cc1 ZINC000298326570 443746722 /nfs/dbraw/zinc/74/67/22/443746722.db2.gz QOMWTUKOTXQKKP-UHFFFAOYSA-N 2 2 342.443 1.935 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)cc1 ZINC000298326570 443746724 /nfs/dbraw/zinc/74/67/24/443746724.db2.gz QOMWTUKOTXQKKP-UHFFFAOYSA-N 2 2 342.443 1.935 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000283850892 443741929 /nfs/dbraw/zinc/74/19/29/443741929.db2.gz KIQDAJMYFFGUOY-INIZCTEOSA-N 2 2 349.479 1.016 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](OCc3ccncc3)C2)CC1 ZINC000280976204 443787449 /nfs/dbraw/zinc/78/74/49/443787449.db2.gz KVGWPQAIRABCMR-AEFFLSMTSA-N 2 2 346.475 1.225 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](OCc3ccncc3)C2)CC1 ZINC000280976204 443787452 /nfs/dbraw/zinc/78/74/52/443787452.db2.gz KVGWPQAIRABCMR-AEFFLSMTSA-N 2 2 346.475 1.225 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)C[C@H](O)c1ccccc1 ZINC000276681817 443789909 /nfs/dbraw/zinc/78/99/09/443789909.db2.gz ZUEKWYVSSPRWKD-BZSNNMDCSA-N 2 2 346.450 1.998 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000276681817 443789911 /nfs/dbraw/zinc/78/99/11/443789911.db2.gz ZUEKWYVSSPRWKD-BZSNNMDCSA-N 2 2 346.450 1.998 20 0 EDADLP Cc1nc2cccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2[nH]1 ZINC000283885698 443755733 /nfs/dbraw/zinc/75/57/33/443755733.db2.gz IMSROJNVPQCTLF-UHFFFAOYSA-N 2 2 343.475 1.969 20 0 EDADLP Cc1nc2cccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2[nH]1 ZINC000283885698 443755735 /nfs/dbraw/zinc/75/57/35/443755735.db2.gz IMSROJNVPQCTLF-UHFFFAOYSA-N 2 2 343.475 1.969 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000284088943 443764395 /nfs/dbraw/zinc/76/43/95/443764395.db2.gz VOYKOJFQGPVUSG-RVKKMQEKSA-N 2 2 349.479 1.015 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(N)nc(N(C)C)n1 ZINC000298634989 443824263 /nfs/dbraw/zinc/82/42/63/443824263.db2.gz WEOQRKYIPHCKRI-UHFFFAOYSA-N 2 2 332.456 1.191 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(N)nc(N(C)C)n1 ZINC000298634989 443824265 /nfs/dbraw/zinc/82/42/65/443824265.db2.gz WEOQRKYIPHCKRI-UHFFFAOYSA-N 2 2 332.456 1.191 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000281152039 443832305 /nfs/dbraw/zinc/83/23/05/443832305.db2.gz ZVZRRKHGPATZOY-AWEZNQCLSA-N 2 2 329.404 1.520 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920248 443879530 /nfs/dbraw/zinc/87/95/30/443879530.db2.gz IESBGNHPQYNWPJ-LJQANCHMSA-N 2 2 345.443 1.449 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920248 443879533 /nfs/dbraw/zinc/87/95/33/443879533.db2.gz IESBGNHPQYNWPJ-LJQANCHMSA-N 2 2 345.443 1.449 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920248 443879537 /nfs/dbraw/zinc/87/95/37/443879537.db2.gz IESBGNHPQYNWPJ-LJQANCHMSA-N 2 2 345.443 1.449 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920248 443879541 /nfs/dbraw/zinc/87/95/41/443879541.db2.gz IESBGNHPQYNWPJ-LJQANCHMSA-N 2 2 345.443 1.449 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000298811878 443875208 /nfs/dbraw/zinc/87/52/08/443875208.db2.gz TWESNAPYSMJSTQ-AWEZNQCLSA-N 2 2 333.436 1.016 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)CCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537951719 320740682 /nfs/dbraw/zinc/74/06/82/320740682.db2.gz ZXQDTZSAEVFFEE-CZUORRHYSA-N 2 2 335.429 1.337 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[N@@H+]1C1CC1 ZINC000288852633 443999013 /nfs/dbraw/zinc/99/90/13/443999013.db2.gz FFGUWVAYCGLGFP-IPYPFGDCSA-N 2 2 345.447 1.205 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[N@H+]1C1CC1 ZINC000288852633 443999016 /nfs/dbraw/zinc/99/90/16/443999016.db2.gz FFGUWVAYCGLGFP-IPYPFGDCSA-N 2 2 345.447 1.205 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548884082 320901170 /nfs/dbraw/zinc/90/11/70/320901170.db2.gz MLFNRQXJRZJTMI-CQSZACIVSA-N 2 2 327.432 1.902 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285602145 444044632 /nfs/dbraw/zinc/04/46/32/444044632.db2.gz JVTROYUXLJUDIW-ZDUSSCGKSA-N 2 2 336.436 1.410 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285602145 444044636 /nfs/dbraw/zinc/04/46/36/444044636.db2.gz JVTROYUXLJUDIW-ZDUSSCGKSA-N 2 2 336.436 1.410 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285602145 444044639 /nfs/dbraw/zinc/04/46/39/444044639.db2.gz JVTROYUXLJUDIW-ZDUSSCGKSA-N 2 2 336.436 1.410 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285602145 444044642 /nfs/dbraw/zinc/04/46/42/444044642.db2.gz JVTROYUXLJUDIW-ZDUSSCGKSA-N 2 2 336.436 1.410 20 0 EDADLP C[C@H](O)c1ncc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000293544657 444049739 /nfs/dbraw/zinc/04/97/39/444049739.db2.gz DGADMZMKHDZRNB-XJKSGUPXSA-N 2 2 347.484 1.705 20 0 EDADLP C[C@H](O)c1ncc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000293544657 444049741 /nfs/dbraw/zinc/04/97/41/444049741.db2.gz DGADMZMKHDZRNB-XJKSGUPXSA-N 2 2 347.484 1.705 20 0 EDADLP NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282046211 444072214 /nfs/dbraw/zinc/07/22/14/444072214.db2.gz LUYYMXOSPOMKPI-CYBMUJFWSA-N 2 2 333.436 1.374 20 0 EDADLP NC(=O)NC(=O)CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282046211 444072217 /nfs/dbraw/zinc/07/22/17/444072217.db2.gz LUYYMXOSPOMKPI-CYBMUJFWSA-N 2 2 333.436 1.374 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CC2(C(N)=O)CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000293588205 444063627 /nfs/dbraw/zinc/06/36/27/444063627.db2.gz FIDHQKUQGOARKL-SJLPKXTDSA-N 2 2 345.487 1.911 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CC2(C(N)=O)CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000293588205 444063630 /nfs/dbraw/zinc/06/36/30/444063630.db2.gz FIDHQKUQGOARKL-SJLPKXTDSA-N 2 2 345.487 1.911 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000293588211 444063659 /nfs/dbraw/zinc/06/36/59/444063659.db2.gz FIDHQKUQGOARKL-WMZOPIPTSA-N 2 2 345.487 1.911 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000293588211 444063665 /nfs/dbraw/zinc/06/36/65/444063665.db2.gz FIDHQKUQGOARKL-WMZOPIPTSA-N 2 2 345.487 1.911 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CCO1 ZINC000561052224 321031799 /nfs/dbraw/zinc/03/17/99/321031799.db2.gz BAMBSFNUICHDCJ-AWEZNQCLSA-N 2 2 347.463 1.130 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CCO1 ZINC000561052224 321031801 /nfs/dbraw/zinc/03/18/01/321031801.db2.gz BAMBSFNUICHDCJ-AWEZNQCLSA-N 2 2 347.463 1.130 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000561564710 321042469 /nfs/dbraw/zinc/04/24/69/321042469.db2.gz SLNGIEYNZXPFAU-KBMXLJTQSA-N 2 2 347.463 1.233 20 0 EDADLP O=S1(=O)CCCN1c1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000562685745 321070292 /nfs/dbraw/zinc/07/02/92/321070292.db2.gz BBIKITUYGMLSJS-UHFFFAOYSA-N 2 2 349.500 1.943 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000562818064 321078790 /nfs/dbraw/zinc/07/87/90/321078790.db2.gz ZZLQUIIYXNIHFZ-FUHWJXTLSA-N 2 2 346.475 1.391 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1 ZINC000563074170 321093810 /nfs/dbraw/zinc/09/38/10/321093810.db2.gz GCPAAJIFYRBJKG-SFHVURJKSA-N 2 2 341.459 1.531 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1 ZINC000563074170 321093812 /nfs/dbraw/zinc/09/38/12/321093812.db2.gz GCPAAJIFYRBJKG-SFHVURJKSA-N 2 2 341.459 1.531 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000563232176 321102893 /nfs/dbraw/zinc/10/28/93/321102893.db2.gz VADLWTAEUNMCER-UHFFFAOYSA-N 2 2 338.448 1.913 20 0 EDADLP [NH3+][C@@H]1C[C@H]2CN(c3cc[nH+]c4cc(F)c(Cl)cc43)CCN2C1=O ZINC000564471539 321134159 /nfs/dbraw/zinc/13/41/59/321134159.db2.gz XWCZLNLXZDGQOQ-TVQRCGJNSA-N 2 2 334.782 1.776 20 0 EDADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(=O)N2CC[NH2+]CC2)CC1 ZINC000564822976 321150037 /nfs/dbraw/zinc/15/00/37/321150037.db2.gz YAOCSNQYCKAAAA-UHFFFAOYSA-N 3 2 338.540 1.687 20 0 EDADLP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000565039728 321165445 /nfs/dbraw/zinc/16/54/45/321165445.db2.gz BSGNMMWHEXOXDM-MAUKXSAKSA-N 2 2 330.476 1.761 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3c(Cl)cccc3Cl)CCN2C1=O ZINC000565239653 321178480 /nfs/dbraw/zinc/17/84/80/321178480.db2.gz MGJLMGVWUBLYOF-MFKMUULPSA-N 2 2 344.242 1.616 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3c(Cl)cccc3Cl)CCN2C1=O ZINC000565239653 321178481 /nfs/dbraw/zinc/17/84/81/321178481.db2.gz MGJLMGVWUBLYOF-MFKMUULPSA-N 2 2 344.242 1.616 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000565676300 321197286 /nfs/dbraw/zinc/19/72/86/321197286.db2.gz VCTWZYOZONDKII-GDBMZVCRSA-N 2 2 347.463 1.235 20 0 EDADLP O=c1[nH]c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc2cc(Cl)ccc12 ZINC000565764703 321199725 /nfs/dbraw/zinc/19/97/25/321199725.db2.gz HKMYFCHCFPXLRG-ZDUSSCGKSA-N 2 2 347.850 1.468 20 0 EDADLP O=c1[nH]c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc2cc(Cl)ccc12 ZINC000565764703 321199727 /nfs/dbraw/zinc/19/97/27/321199727.db2.gz HKMYFCHCFPXLRG-ZDUSSCGKSA-N 2 2 347.850 1.468 20 0 EDADLP COCC1(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000567582325 321246509 /nfs/dbraw/zinc/24/65/09/321246509.db2.gz AYYRQBWQGBTLIT-ZACQAIPSSA-N 2 2 328.497 1.643 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000567872991 321263840 /nfs/dbraw/zinc/26/38/40/321263840.db2.gz LKWQMYLKYQQAPM-CABCVRRESA-N 2 2 342.867 1.516 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000567872991 321263843 /nfs/dbraw/zinc/26/38/43/321263843.db2.gz LKWQMYLKYQQAPM-CABCVRRESA-N 2 2 342.867 1.516 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)CCN2C1=O ZINC000568266108 321285256 /nfs/dbraw/zinc/28/52/56/321285256.db2.gz JYEKDWSCLKEQKB-HOCLYGCPSA-N 2 2 338.411 1.022 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)CCN2C1=O ZINC000568266108 321285257 /nfs/dbraw/zinc/28/52/57/321285257.db2.gz JYEKDWSCLKEQKB-HOCLYGCPSA-N 2 2 338.411 1.022 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3cccc(F)c3)C[C@H]2[NH3+])cn1 ZINC000568989442 321313524 /nfs/dbraw/zinc/31/35/24/321313524.db2.gz KJPVZGXZONQAHD-JKSUJKDBSA-N 2 2 331.395 1.315 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3cccc(F)c3)C[C@H]2[NH3+])cn1 ZINC000568989442 321313526 /nfs/dbraw/zinc/31/35/26/321313526.db2.gz KJPVZGXZONQAHD-JKSUJKDBSA-N 2 2 331.395 1.315 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+](Cc2ccccc2)C1 ZINC000571039977 321369526 /nfs/dbraw/zinc/36/95/26/321369526.db2.gz YUXUVXVFTHPFMP-INIZCTEOSA-N 2 2 326.444 1.943 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000571039977 321369527 /nfs/dbraw/zinc/36/95/27/321369527.db2.gz YUXUVXVFTHPFMP-INIZCTEOSA-N 2 2 326.444 1.943 20 0 EDADLP Cc1cc(Br)cn2cc(CNC(=O)Cn3cc[nH+]c3)[nH+]c12 ZINC000571130020 321373478 /nfs/dbraw/zinc/37/34/78/321373478.db2.gz HBGMEZVLTFOFDE-UHFFFAOYSA-N 2 2 348.204 1.918 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C1CC1 ZINC000289554351 444170830 /nfs/dbraw/zinc/17/08/30/444170830.db2.gz PAWPBUPIBNZYRV-LSTHTHJFSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C[NH+](C)C1CC1 ZINC000289554351 444170832 /nfs/dbraw/zinc/17/08/32/444170832.db2.gz PAWPBUPIBNZYRV-LSTHTHJFSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000289554351 444170836 /nfs/dbraw/zinc/17/08/36/444170836.db2.gz PAWPBUPIBNZYRV-LSTHTHJFSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289554351 444170838 /nfs/dbraw/zinc/17/08/38/444170838.db2.gz PAWPBUPIBNZYRV-LSTHTHJFSA-N 3 2 331.504 1.942 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1)C1CC1 ZINC000289490533 444157721 /nfs/dbraw/zinc/15/77/21/444157721.db2.gz JIMDSUITDUKQDT-GJZGRUSLSA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(Br)c1)C1CC1 ZINC000289490533 444157723 /nfs/dbraw/zinc/15/77/23/444157723.db2.gz JIMDSUITDUKQDT-GJZGRUSLSA-N 2 2 343.265 1.527 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NCC1=CC[NH2+]CC1 ZINC000574622233 321492466 /nfs/dbraw/zinc/49/24/66/321492466.db2.gz KEMSYNRLSYKTLJ-UHFFFAOYSA-N 2 2 329.448 1.791 20 0 EDADLP Cc1cc2c(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)nccn2n1 ZINC000302385137 444212558 /nfs/dbraw/zinc/21/25/58/444212558.db2.gz FDJVBDYPJCSDDG-SJPCQFCGSA-N 2 2 340.475 1.785 20 0 EDADLP Cc1cc2c(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)nccn2n1 ZINC000302385137 444212559 /nfs/dbraw/zinc/21/25/59/444212559.db2.gz FDJVBDYPJCSDDG-SJPCQFCGSA-N 2 2 340.475 1.785 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301613328 444181758 /nfs/dbraw/zinc/18/17/58/444181758.db2.gz TVUZVMSHFWSKGV-OWCLPIDISA-N 2 2 333.480 1.826 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301613328 444181759 /nfs/dbraw/zinc/18/17/59/444181759.db2.gz TVUZVMSHFWSKGV-OWCLPIDISA-N 2 2 333.480 1.826 20 0 EDADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000289633943 444183612 /nfs/dbraw/zinc/18/36/12/444183612.db2.gz HKEHTEODFNXEDH-JKSUJKDBSA-N 2 2 339.867 1.957 20 0 EDADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(Cl)c1 ZINC000289633943 444183614 /nfs/dbraw/zinc/18/36/14/444183614.db2.gz HKEHTEODFNXEDH-JKSUJKDBSA-N 2 2 339.867 1.957 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000575985913 321538656 /nfs/dbraw/zinc/53/86/56/321538656.db2.gz FIVZCGJYKNVONR-BQFCYCMXSA-N 2 2 348.491 1.355 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000289944798 444222208 /nfs/dbraw/zinc/22/22/08/444222208.db2.gz LUIBCTPPRAQJNZ-OKZBNKHCSA-N 2 2 331.460 1.564 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCCN(C(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000289731686 444196343 /nfs/dbraw/zinc/19/63/43/444196343.db2.gz HODOZJBBDPIZBJ-SFHVURJKSA-N 2 2 349.450 1.429 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCCN(C(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000289731686 444196347 /nfs/dbraw/zinc/19/63/47/444196347.db2.gz HODOZJBBDPIZBJ-SFHVURJKSA-N 2 2 349.450 1.429 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000289731686 444196349 /nfs/dbraw/zinc/19/63/49/444196349.db2.gz HODOZJBBDPIZBJ-SFHVURJKSA-N 2 2 349.450 1.429 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1)C1CC1 ZINC000289731686 444196351 /nfs/dbraw/zinc/19/63/51/444196351.db2.gz HODOZJBBDPIZBJ-SFHVURJKSA-N 2 2 349.450 1.429 20 0 EDADLP NC(=O)c1c[nH+]ccc1NC[C@@H](c1cccc(F)c1)[NH+]1CCOCC1 ZINC000302019859 444200552 /nfs/dbraw/zinc/20/05/52/444200552.db2.gz HGZXHNPFCCIPIM-KRWDZBQOSA-N 2 2 344.390 1.805 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cn2cc[nH+]c12 ZINC000296979842 444266668 /nfs/dbraw/zinc/26/66/68/444266668.db2.gz NWVNJTQFXZMDQG-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cn2cc[nH+]c12 ZINC000296979842 444266671 /nfs/dbraw/zinc/26/66/71/444266671.db2.gz NWVNJTQFXZMDQG-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NC[C@H](O)C[NH+]2CCCCC2)nc[nH+]1 ZINC000302784977 444224406 /nfs/dbraw/zinc/22/44/06/444224406.db2.gz MGHPKBHAYCSXHX-CVEARBPZSA-N 2 2 349.479 1.087 20 0 EDADLP OC[C@H]1CCCCN1c1cc(NC[C@H](O)C[NH+]2CCCCC2)[nH+]cn1 ZINC000302784977 444224408 /nfs/dbraw/zinc/22/44/08/444224408.db2.gz MGHPKBHAYCSXHX-CVEARBPZSA-N 2 2 349.479 1.087 20 0 EDADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000290100888 444242465 /nfs/dbraw/zinc/24/24/65/444242465.db2.gz HYNMLYFERWDUOB-RTBURBONSA-N 2 2 345.487 1.844 20 0 EDADLP COc1cc(OC)cc(C2(O)CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000305720414 444275314 /nfs/dbraw/zinc/27/53/14/444275314.db2.gz JMKUGXWFIVVJBO-UHFFFAOYSA-N 2 2 331.416 1.884 20 0 EDADLP CN(C[C@H]1CCCC[C@@H]1O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000305845097 444283484 /nfs/dbraw/zinc/28/34/84/444283484.db2.gz SKDWORKBZAWDSI-WBVHZDCISA-N 2 2 340.512 1.205 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000290493990 444287929 /nfs/dbraw/zinc/28/79/29/444287929.db2.gz XXMUHGTWYBADSC-KFWWJZLASA-N 2 2 337.489 1.626 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000297925506 444359875 /nfs/dbraw/zinc/35/98/75/444359875.db2.gz QUHWTACXMNRWNG-ZIAGYGMSSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[N@H+]1CCC[C@@H](C)C1 ZINC000297925506 444359876 /nfs/dbraw/zinc/35/98/76/444359876.db2.gz QUHWTACXMNRWNG-ZIAGYGMSSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000328821853 444364875 /nfs/dbraw/zinc/36/48/75/444364875.db2.gz OYOILFJXMVJMOD-RDTXWAMCSA-N 2 2 336.480 1.370 20 0 EDADLP C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000328821853 444364876 /nfs/dbraw/zinc/36/48/76/444364876.db2.gz OYOILFJXMVJMOD-RDTXWAMCSA-N 2 2 336.480 1.370 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000290864972 444332398 /nfs/dbraw/zinc/33/23/98/444332398.db2.gz DJKMBGSCSPDWKB-MRXNPFEDSA-N 2 2 333.480 1.638 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000290864972 444332400 /nfs/dbraw/zinc/33/24/00/444332400.db2.gz DJKMBGSCSPDWKB-MRXNPFEDSA-N 2 2 333.480 1.638 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000340504133 444414540 /nfs/dbraw/zinc/41/45/40/444414540.db2.gz HUYQZFSFFPTYIH-FQEVSTJZSA-N 3 2 331.504 1.868 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000340504133 444414544 /nfs/dbraw/zinc/41/45/44/444414544.db2.gz HUYQZFSFFPTYIH-FQEVSTJZSA-N 3 2 331.504 1.868 20 0 EDADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nnc4n3CCOC4)C2)n2c1CCCC2 ZINC000328658723 444418633 /nfs/dbraw/zinc/41/86/33/444418633.db2.gz ROLCGUJHSYIUDK-CQSZACIVSA-N 2 2 342.447 1.721 20 0 EDADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nnc4n3CCOC4)C2)n2c1CCCC2 ZINC000328658723 444418637 /nfs/dbraw/zinc/41/86/37/444418637.db2.gz ROLCGUJHSYIUDK-CQSZACIVSA-N 2 2 342.447 1.721 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000579599353 321952456 /nfs/dbraw/zinc/95/24/56/321952456.db2.gz LZNVNRLVYFMJCD-UHFFFAOYSA-N 2 2 340.493 1.180 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c[nH+]1 ZINC000580631652 322075659 /nfs/dbraw/zinc/07/56/59/322075659.db2.gz USCFYINWBHORGD-HOTGVXAUSA-N 2 2 331.464 1.821 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)n1C ZINC000580726452 322088296 /nfs/dbraw/zinc/08/82/96/322088296.db2.gz UGNZAIMFMNMIGZ-OAHLLOKOSA-N 2 2 328.416 1.498 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000580890371 322108879 /nfs/dbraw/zinc/10/88/79/322108879.db2.gz JTEODWAFWXBBJR-ZBFHGGJFSA-N 2 2 348.491 1.947 20 0 EDADLP CCN(CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc(C)c1 ZINC000580941522 322114654 /nfs/dbraw/zinc/11/46/54/322114654.db2.gz SNGVAVSXFKVASZ-QGZVFWFLSA-N 2 2 333.480 1.106 20 0 EDADLP CCN(CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc(C)c1 ZINC000580941522 322114656 /nfs/dbraw/zinc/11/46/56/322114656.db2.gz SNGVAVSXFKVASZ-QGZVFWFLSA-N 2 2 333.480 1.106 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)nc2)C[C@@H](C)O1 ZINC000581006926 322123494 /nfs/dbraw/zinc/12/34/94/322123494.db2.gz WMGSTFGBHKWQFX-NUJGCVRESA-N 2 2 348.491 1.242 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[N@@H+]1C ZINC000338059646 444503427 /nfs/dbraw/zinc/50/34/27/444503427.db2.gz FQJUXYFIDXRMTB-RDJZCZTQSA-N 2 2 331.464 1.392 20 0 EDADLP C[C@H]1[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[N@H+]1C ZINC000338059646 444503432 /nfs/dbraw/zinc/50/34/32/444503432.db2.gz FQJUXYFIDXRMTB-RDJZCZTQSA-N 2 2 331.464 1.392 20 0 EDADLP [NH3+][C@H]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000581121150 322138110 /nfs/dbraw/zinc/13/81/10/322138110.db2.gz IFTLAPGBYCGOQV-IRXDYDNUSA-N 2 2 331.464 1.426 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(Oc3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000581417148 322174642 /nfs/dbraw/zinc/17/46/42/322174642.db2.gz DJDJNAKATJCIJI-OAHLLOKOSA-N 2 2 341.415 1.981 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(Oc3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000581417148 322174643 /nfs/dbraw/zinc/17/46/43/322174643.db2.gz DJDJNAKATJCIJI-OAHLLOKOSA-N 2 2 341.415 1.981 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000581543571 322189674 /nfs/dbraw/zinc/18/96/74/322189674.db2.gz MLCNYPAVHLGQPI-QRQLOZEOSA-N 2 2 332.444 1.845 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000581543571 322189675 /nfs/dbraw/zinc/18/96/75/322189675.db2.gz MLCNYPAVHLGQPI-QRQLOZEOSA-N 2 2 332.444 1.845 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329253127 444513457 /nfs/dbraw/zinc/51/34/57/444513457.db2.gz YXRICVKSCRTZTR-XJKSGUPXSA-N 2 2 346.431 1.697 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329253127 444513460 /nfs/dbraw/zinc/51/34/60/444513460.db2.gz YXRICVKSCRTZTR-XJKSGUPXSA-N 2 2 346.431 1.697 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000338102697 444516940 /nfs/dbraw/zinc/51/69/40/444516940.db2.gz RLRNNWWMHGOWNL-UHFFFAOYSA-N 2 2 342.447 1.817 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343746075 444561357 /nfs/dbraw/zinc/56/13/57/444561357.db2.gz WQKLUWIHIBOECM-NVXWUHKLSA-N 2 2 325.497 1.819 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343746075 444561359 /nfs/dbraw/zinc/56/13/59/444561359.db2.gz WQKLUWIHIBOECM-NVXWUHKLSA-N 2 2 325.497 1.819 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]CCN2CCc3cc(OC)c(OC)cc3C2)[C@@H](C)C1 ZINC000343754195 444566567 /nfs/dbraw/zinc/56/65/67/444566567.db2.gz BYWHOBDLZMKNED-YJBOKZPZSA-N 2 2 347.503 1.992 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CCc3cc(OC)c(OC)cc3C2)[C@@H](C)C1 ZINC000343754195 444566572 /nfs/dbraw/zinc/56/65/72/444566572.db2.gz BYWHOBDLZMKNED-YJBOKZPZSA-N 2 2 347.503 1.992 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000343754192 444567175 /nfs/dbraw/zinc/56/71/75/444567175.db2.gz BYWHOBDLZMKNED-CRAIPNDOSA-N 2 2 347.503 1.992 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000343754192 444567178 /nfs/dbraw/zinc/56/71/78/444567178.db2.gz BYWHOBDLZMKNED-CRAIPNDOSA-N 2 2 347.503 1.992 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000338220297 444569854 /nfs/dbraw/zinc/56/98/54/444569854.db2.gz JBEXCWGIPLXJQZ-QZTJIDSGSA-N 2 2 331.460 1.683 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000338220297 444569858 /nfs/dbraw/zinc/56/98/58/444569858.db2.gz JBEXCWGIPLXJQZ-QZTJIDSGSA-N 2 2 331.460 1.683 20 0 EDADLP CCCCNc1cc(N2CCC([N@H+](C)C[C@@H](C)O)CC2)nc(N)[nH+]1 ZINC000342219976 444571805 /nfs/dbraw/zinc/57/18/05/444571805.db2.gz IFEFKPOHTOEZRS-CYBMUJFWSA-N 2 2 336.484 1.552 20 0 EDADLP CCCCNc1cc(N2CCC([N@@H+](C)C[C@@H](C)O)CC2)nc(N)[nH+]1 ZINC000342219976 444571808 /nfs/dbraw/zinc/57/18/08/444571808.db2.gz IFEFKPOHTOEZRS-CYBMUJFWSA-N 2 2 336.484 1.552 20 0 EDADLP CCCCNc1cc(N2CCC([N@H+](C)C[C@@H](C)O)CC2)[nH+]c(N)n1 ZINC000342219976 444571810 /nfs/dbraw/zinc/57/18/10/444571810.db2.gz IFEFKPOHTOEZRS-CYBMUJFWSA-N 2 2 336.484 1.552 20 0 EDADLP CCCCNc1cc(N2CCC([N@@H+](C)C[C@@H](C)O)CC2)[nH+]c(N)n1 ZINC000342219976 444571813 /nfs/dbraw/zinc/57/18/13/444571813.db2.gz IFEFKPOHTOEZRS-CYBMUJFWSA-N 2 2 336.484 1.552 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000343771379 444579088 /nfs/dbraw/zinc/57/90/88/444579088.db2.gz FVYZYJBFMGWFOQ-ZACQAIPSSA-N 2 2 328.460 1.851 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000343771379 444579093 /nfs/dbraw/zinc/57/90/93/444579093.db2.gz FVYZYJBFMGWFOQ-ZACQAIPSSA-N 2 2 328.460 1.851 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CCC1 ZINC000342152774 444536596 /nfs/dbraw/zinc/53/65/96/444536596.db2.gz YPUFSVAATKSSQM-HNNXBMFYSA-N 2 2 345.443 1.592 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nnc4n3CCCC4)CC2)CC1 ZINC000341007927 444628193 /nfs/dbraw/zinc/62/81/93/444628193.db2.gz JLGMASNHRSMWBM-UHFFFAOYSA-N 2 2 346.523 1.605 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000341013704 444632200 /nfs/dbraw/zinc/63/22/00/444632200.db2.gz PONKHIDFAXDBSO-JKSUJKDBSA-N 2 2 337.489 1.095 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1O ZINC000341013704 444632203 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331.464 1.265 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccnc(N(C)C)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000341164843 444705536 /nfs/dbraw/zinc/70/55/36/444705536.db2.gz QZDORPFMJCJGCW-RDJZCZTQSA-N 2 2 332.496 1.000 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccnc(N(C)C)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000341164843 444705537 /nfs/dbraw/zinc/70/55/37/444705537.db2.gz QZDORPFMJCJGCW-RDJZCZTQSA-N 2 2 332.496 1.000 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000333896963 444712393 /nfs/dbraw/zinc/71/23/93/444712393.db2.gz YLKUNJVKZIGVSI-ZACQAIPSSA-N 2 2 345.491 1.511 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000333896963 444712398 /nfs/dbraw/zinc/71/23/98/444712398.db2.gz YLKUNJVKZIGVSI-ZACQAIPSSA-N 2 2 345.491 1.511 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333928788 444720597 /nfs/dbraw/zinc/72/05/97/444720597.db2.gz XTDLVDNOGADCPR-CABCVRRESA-N 2 2 327.432 1.596 20 0 EDADLP 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444861157 /nfs/dbraw/zinc/86/11/57/444861157.db2.gz CZVJNQUJCQGOLR-DZGCQCFKSA-N 2 2 340.537 1.690 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000341843789 445030334 /nfs/dbraw/zinc/03/03/34/445030334.db2.gz UQDJGPNNZXKTSV-KCQAQPDRSA-N 2 2 346.431 1.217 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000341843789 445030339 /nfs/dbraw/zinc/03/03/39/445030339.db2.gz UQDJGPNNZXKTSV-KCQAQPDRSA-N 2 2 346.431 1.217 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000337266370 445009605 /nfs/dbraw/zinc/00/96/05/445009605.db2.gz ZCRSWAFBUREEDM-HOJAQTOUSA-N 2 2 329.488 1.771 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000337266370 445009609 /nfs/dbraw/zinc/00/96/09/445009609.db2.gz ZCRSWAFBUREEDM-HOJAQTOUSA-N 2 2 329.488 1.771 20 0 EDADLP COc1cc(F)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000341876699 445048513 /nfs/dbraw/zinc/04/85/13/445048513.db2.gz MDJOAFTZFHMZPL-STQMWFEESA-N 2 2 326.412 1.950 20 0 EDADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341903145 445063015 /nfs/dbraw/zinc/06/30/15/445063015.db2.gz QRSCQKKLWBTCKQ-SFHVURJKSA-N 2 2 345.491 1.292 20 0 EDADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000341903145 445063032 /nfs/dbraw/zinc/06/30/32/445063032.db2.gz QRSCQKKLWBTCKQ-SFHVURJKSA-N 2 2 345.491 1.292 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ncnn2CC(F)F)CC1 ZINC000337450084 445086652 /nfs/dbraw/zinc/08/66/52/445086652.db2.gz DYNHTIKJLOWWRA-UHFFFAOYSA-N 2 2 344.454 1.391 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ncnn2CC(F)F)CC1 ZINC000337450084 445086656 /nfs/dbraw/zinc/08/66/56/445086656.db2.gz DYNHTIKJLOWWRA-UHFFFAOYSA-N 2 2 344.454 1.391 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000337547569 445131138 /nfs/dbraw/zinc/13/11/38/445131138.db2.gz NNHOARGCJPBAKI-HZPDHXFCSA-N 2 2 332.448 1.734 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000337547569 445131141 /nfs/dbraw/zinc/13/11/41/445131141.db2.gz NNHOARGCJPBAKI-HZPDHXFCSA-N 2 2 332.448 1.734 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)C2=O)n1 ZINC000339426426 445137109 /nfs/dbraw/zinc/13/71/09/445137109.db2.gz LTSSLXZMACVVTN-MAUKXSAKSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)C2=O)n1 ZINC000339426426 445137111 /nfs/dbraw/zinc/13/71/11/445137111.db2.gz LTSSLXZMACVVTN-MAUKXSAKSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@H]([NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)C2=O)n1 ZINC000339426426 445137114 /nfs/dbraw/zinc/13/71/14/445137114.db2.gz LTSSLXZMACVVTN-MAUKXSAKSA-N 2 2 331.464 1.333 20 0 EDADLP Cn1ccc(N2CCC[C@H]([NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)C2=O)n1 ZINC000339426426 445137119 /nfs/dbraw/zinc/13/71/19/445137119.db2.gz LTSSLXZMACVVTN-MAUKXSAKSA-N 2 2 331.464 1.333 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1)[NH+]1CCSCC1 ZINC000337563544 445138208 /nfs/dbraw/zinc/13/82/08/445138208.db2.gz AAORWHGFNHKRER-CJNGLKHVSA-N 2 2 337.464 1.736 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432339 445139325 /nfs/dbraw/zinc/13/93/25/445139325.db2.gz JILDZKQNOIMCEK-UKRRQHHQSA-N 2 2 333.398 1.957 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432339 445139328 /nfs/dbraw/zinc/13/93/28/445139328.db2.gz JILDZKQNOIMCEK-UKRRQHHQSA-N 2 2 333.398 1.957 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432339 445139331 /nfs/dbraw/zinc/13/93/31/445139331.db2.gz JILDZKQNOIMCEK-UKRRQHHQSA-N 2 2 333.398 1.957 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCCN(CC(F)(F)F)C3=O)C2)C1 ZINC000339432339 445139334 /nfs/dbraw/zinc/13/93/34/445139334.db2.gz JILDZKQNOIMCEK-UKRRQHHQSA-N 2 2 333.398 1.957 20 0 EDADLP CC[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339223189 445096993 /nfs/dbraw/zinc/09/69/93/445096993.db2.gz JTRIJGZGOIHURA-IRXDYDNUSA-N 2 2 348.491 2.198 20 0 EDADLP CC[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339223189 445096997 /nfs/dbraw/zinc/09/69/97/445096997.db2.gz JTRIJGZGOIHURA-IRXDYDNUSA-N 2 2 348.491 2.198 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000337482765 445099535 /nfs/dbraw/zinc/09/95/35/445099535.db2.gz WVMNLGUEZANRPP-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP COCCN1C(=O)N[C@@H]2C[N@@H+](CCCc3ccc(C)[nH+]c3)CC[C@@H]21 ZINC000344644114 445101350 /nfs/dbraw/zinc/10/13/50/445101350.db2.gz WFTDRQQNXGEHIM-SJORKVTESA-N 2 2 332.448 1.437 20 0 EDADLP COCCN1C(=O)N[C@@H]2C[N@H+](CCCc3ccc(C)[nH+]c3)CC[C@@H]21 ZINC000344644114 445101353 /nfs/dbraw/zinc/10/13/53/445101353.db2.gz WFTDRQQNXGEHIM-SJORKVTESA-N 2 2 332.448 1.437 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000337489919 445102981 /nfs/dbraw/zinc/10/29/81/445102981.db2.gz DFHQOPWQIDBESL-UZUQRXQVSA-N 2 2 335.517 1.506 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC[S@@](=O)c3ccccc3)C2)CC1 ZINC000337489919 445102987 /nfs/dbraw/zinc/10/29/87/445102987.db2.gz DFHQOPWQIDBESL-UZUQRXQVSA-N 2 2 335.517 1.506 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000339439345 445141352 /nfs/dbraw/zinc/14/13/52/445141352.db2.gz IDSIXARGNNYKSR-IBGZPJMESA-N 3 2 336.524 1.393 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000339439345 445141357 /nfs/dbraw/zinc/14/13/57/445141357.db2.gz IDSIXARGNNYKSR-IBGZPJMESA-N 3 2 336.524 1.393 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000339439345 445141362 /nfs/dbraw/zinc/14/13/62/445141362.db2.gz IDSIXARGNNYKSR-IBGZPJMESA-N 3 2 336.524 1.393 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000339439345 445141368 /nfs/dbraw/zinc/14/13/68/445141368.db2.gz IDSIXARGNNYKSR-IBGZPJMESA-N 3 2 336.524 1.393 20 0 EDADLP CN(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)c1c[nH+]cn1C ZINC000343272327 445172154 /nfs/dbraw/zinc/17/21/54/445172154.db2.gz TXQQKYIODYRUCH-KRWDZBQOSA-N 2 2 335.496 1.746 20 0 EDADLP CN(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)c1c[nH+]cn1C ZINC000343272327 445172159 /nfs/dbraw/zinc/17/21/59/445172159.db2.gz TXQQKYIODYRUCH-KRWDZBQOSA-N 2 2 335.496 1.746 20 0 EDADLP C[C@H](CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[N@H+](C)C1CC1 ZINC000343276149 445173824 /nfs/dbraw/zinc/17/38/24/445173824.db2.gz RRXRTSJYYSGUFI-CQSZACIVSA-N 2 2 332.448 1.126 20 0 EDADLP C[C@H](CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)[N@@H+](C)C1CC1 ZINC000343276149 445173827 /nfs/dbraw/zinc/17/38/27/445173827.db2.gz RRXRTSJYYSGUFI-CQSZACIVSA-N 2 2 332.448 1.126 20 0 EDADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC1)C2 ZINC000339548151 445149259 /nfs/dbraw/zinc/14/92/59/445149259.db2.gz IZUVNDWWRZKJLE-KTGAGVNESA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC1)C2 ZINC000339548151 445149262 /nfs/dbraw/zinc/14/92/62/445149262.db2.gz IZUVNDWWRZKJLE-KTGAGVNESA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339548151 445149267 /nfs/dbraw/zinc/14/92/67/445149267.db2.gz IZUVNDWWRZKJLE-KTGAGVNESA-N 3 2 349.523 1.033 20 0 EDADLP C[NH+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000339548151 445149268 /nfs/dbraw/zinc/14/92/68/445149268.db2.gz IZUVNDWWRZKJLE-KTGAGVNESA-N 3 2 349.523 1.033 20 0 EDADLP Cc1ccc(NCCCNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)[nH+]c1 ZINC000345005616 445156501 /nfs/dbraw/zinc/15/65/01/445156501.db2.gz BJLOYHIPOQQVCY-INIZCTEOSA-N 2 2 342.447 2.376 20 0 EDADLP Cc1cccn2c(C[NH2+][C@H]3CCC(=O)N[C@@H]3c3ccnn3C)c[nH+]c12 ZINC000343393446 445214818 /nfs/dbraw/zinc/21/48/18/445214818.db2.gz WJVXTCDSMWNTJD-YOEHRIQHSA-N 2 2 338.415 1.486 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)n1 ZINC000343426214 445220070 /nfs/dbraw/zinc/22/00/70/445220070.db2.gz JDKSWXFIECHNHW-YOEHRIQHSA-N 2 2 343.479 1.449 20 0 EDADLP CN(C)c1nccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)n1 ZINC000343426214 445220071 /nfs/dbraw/zinc/22/00/71/445220071.db2.gz JDKSWXFIECHNHW-YOEHRIQHSA-N 2 2 343.479 1.449 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)C1 ZINC000343400266 445216008 /nfs/dbraw/zinc/21/60/08/445216008.db2.gz JUBYGWVGYJAFPD-JZXOWHBKSA-N 2 2 336.480 1.444 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)C1 ZINC000343400266 445216009 /nfs/dbraw/zinc/21/60/09/445216009.db2.gz JUBYGWVGYJAFPD-JZXOWHBKSA-N 2 2 336.480 1.444 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000345698046 445196911 /nfs/dbraw/zinc/19/69/11/445196911.db2.gz RSJMFJZDAOXUBJ-DOTOQJQBSA-N 2 2 331.460 1.900 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000345698046 445196912 /nfs/dbraw/zinc/19/69/12/445196912.db2.gz RSJMFJZDAOXUBJ-DOTOQJQBSA-N 2 2 331.460 1.900 20 0 EDADLP C[NH+](CC(=O)N[C@@H]1CCOc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000345698046 445196914 /nfs/dbraw/zinc/19/69/14/445196914.db2.gz RSJMFJZDAOXUBJ-DOTOQJQBSA-N 2 2 331.460 1.900 20 0 EDADLP C[NH+](CC(=O)N[C@@H]1CCOc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000345698046 445196916 /nfs/dbraw/zinc/19/69/16/445196916.db2.gz RSJMFJZDAOXUBJ-DOTOQJQBSA-N 2 2 331.460 1.900 20 0 EDADLP C[C@H](CN1CCOCC1)[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346920928 445227873 /nfs/dbraw/zinc/22/78/73/445227873.db2.gz JQSREKPCUDNFLK-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346920928 445227875 /nfs/dbraw/zinc/22/78/75/445227875.db2.gz JQSREKPCUDNFLK-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346920928 445227876 /nfs/dbraw/zinc/22/78/76/445227876.db2.gz JQSREKPCUDNFLK-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346920928 445227878 /nfs/dbraw/zinc/22/78/78/445227878.db2.gz JQSREKPCUDNFLK-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000343522406 445238193 /nfs/dbraw/zinc/23/81/93/445238193.db2.gz NAUQLCLNOIXDAM-HZPDHXFCSA-N 2 2 337.414 1.967 20 0 EDADLP O[C@@H]1CC[C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]12 ZINC000351769389 445314933 /nfs/dbraw/zinc/31/49/33/445314933.db2.gz YMDFHIFEDPJSFY-MISYRCLQSA-N 2 2 329.488 1.901 20 0 EDADLP O[C@@H]1CC[C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]12 ZINC000351769389 445314935 /nfs/dbraw/zinc/31/49/35/445314935.db2.gz YMDFHIFEDPJSFY-MISYRCLQSA-N 2 2 329.488 1.901 20 0 EDADLP Cc1cc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)nn1C ZINC000348127694 445283442 /nfs/dbraw/zinc/28/34/42/445283442.db2.gz YCUUULSCACZELV-ZBFHGGJFSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1cc(C[N@H+](C)C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)nn1C ZINC000348127694 445283444 /nfs/dbraw/zinc/28/34/44/445283444.db2.gz YCUUULSCACZELV-ZBFHGGJFSA-N 2 2 334.443 1.506 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2c2cc[nH]n2)C1 ZINC000348161801 445296042 /nfs/dbraw/zinc/29/60/42/445296042.db2.gz RZKIOJPQKALORF-RDJZCZTQSA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2c2cc[nH]n2)C1 ZINC000348161801 445296045 /nfs/dbraw/zinc/29/60/45/445296045.db2.gz RZKIOJPQKALORF-RDJZCZTQSA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2cc[nH]n2)C1 ZINC000348161801 445296046 /nfs/dbraw/zinc/29/60/46/445296046.db2.gz RZKIOJPQKALORF-RDJZCZTQSA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2c2cc[nH]n2)C1 ZINC000348161801 445296048 /nfs/dbraw/zinc/29/60/48/445296048.db2.gz RZKIOJPQKALORF-RDJZCZTQSA-N 2 2 349.479 1.020 20 0 EDADLP CCn1c2nnc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)n2c2ccccc2c1=O ZINC000351861017 445346171 /nfs/dbraw/zinc/34/61/71/445346171.db2.gz KOPNTGVKAJELEN-STQMWFEESA-N 2 2 340.431 1.233 20 0 EDADLP CCn1c2nnc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)n2c2ccccc2c1=O ZINC000351861017 445346173 /nfs/dbraw/zinc/34/61/73/445346173.db2.gz KOPNTGVKAJELEN-STQMWFEESA-N 2 2 340.431 1.233 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@]4(CCCO4)[C@H]3C3CC3)cn2)CC1 ZINC000354710703 445347641 /nfs/dbraw/zinc/34/76/41/445347641.db2.gz HHHPXONMGMVJQE-IEBWSBKVSA-N 2 2 343.475 1.372 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@]4(CCCO4)[C@H]3C3CC3)cn2)CC1 ZINC000354710703 445347643 /nfs/dbraw/zinc/34/76/43/445347643.db2.gz HHHPXONMGMVJQE-IEBWSBKVSA-N 2 2 343.475 1.372 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000351808573 445328371 /nfs/dbraw/zinc/32/83/71/445328371.db2.gz GVMVFHUAGOCMMY-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000351808573 445328372 /nfs/dbraw/zinc/32/83/72/445328372.db2.gz GVMVFHUAGOCMMY-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000362479312 445404464 /nfs/dbraw/zinc/40/44/64/445404464.db2.gz KTSJDQBSLLDBMN-SFHVURJKSA-N 2 2 345.487 1.933 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000362479312 445404466 /nfs/dbraw/zinc/40/44/66/445404466.db2.gz KTSJDQBSLLDBMN-SFHVURJKSA-N 2 2 345.487 1.933 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1c1ccccc1 ZINC000348861684 445420185 /nfs/dbraw/zinc/42/01/85/445420185.db2.gz QTJSUTSGLWNGMU-MJGOQNOKSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1c1ccccc1 ZINC000348861684 445420189 /nfs/dbraw/zinc/42/01/89/445420189.db2.gz QTJSUTSGLWNGMU-MJGOQNOKSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)Cc2[nH+]c[nH]c2C)[C@@H]1c1ccccc1 ZINC000348861684 445420192 /nfs/dbraw/zinc/42/01/92/445420192.db2.gz QTJSUTSGLWNGMU-MJGOQNOKSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)Cc2[nH+]c[nH]c2C)[C@@H]1c1ccccc1 ZINC000348861684 445420195 /nfs/dbraw/zinc/42/01/95/445420195.db2.gz QTJSUTSGLWNGMU-MJGOQNOKSA-N 2 2 342.443 1.839 20 0 EDADLP COC(=O)c1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c(C)s1 ZINC000362466249 445396802 /nfs/dbraw/zinc/39/68/02/445396802.db2.gz FNEAIEUXQRGINP-UHFFFAOYSA-N 2 2 326.462 1.732 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)n1 ZINC000362661530 445484649 /nfs/dbraw/zinc/48/46/49/445484649.db2.gz DZZUHYZCPBMFNU-OVWQWFNUSA-N 2 2 345.491 2.090 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354968724 445437080 /nfs/dbraw/zinc/43/70/80/445437080.db2.gz AWSTTYFNQOGCAJ-OAHLLOKOSA-N 2 2 347.507 1.784 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354968724 445437083 /nfs/dbraw/zinc/43/70/83/445437083.db2.gz AWSTTYFNQOGCAJ-OAHLLOKOSA-N 2 2 347.507 1.784 20 0 EDADLP CS[C@H](C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355088947 445441967 /nfs/dbraw/zinc/44/19/67/445441967.db2.gz OYZDJMYMFOANQP-ZIAGYGMSSA-N 2 2 328.526 1.548 20 0 EDADLP CS[C@H](C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355088947 445441971 /nfs/dbraw/zinc/44/19/71/445441971.db2.gz OYZDJMYMFOANQP-ZIAGYGMSSA-N 2 2 328.526 1.548 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NCCn2cc[nH+]c2)cc[nH+]1 ZINC000362569059 445444159 /nfs/dbraw/zinc/44/41/59/445444159.db2.gz MSVTUGZHNUVNES-ZBFHGGJFSA-N 2 2 330.436 2.401 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H](C)O1 ZINC000352143096 445511781 /nfs/dbraw/zinc/51/17/81/445511781.db2.gz ZFKGWXKRWZCQDE-ZNMIVQPWSA-N 2 2 334.464 1.765 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H](C)O1 ZINC000352143096 445511782 /nfs/dbraw/zinc/51/17/82/445511782.db2.gz ZFKGWXKRWZCQDE-ZNMIVQPWSA-N 2 2 334.464 1.765 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)C[C@H]1C ZINC000357263003 445514868 /nfs/dbraw/zinc/51/48/68/445514868.db2.gz SRLHDFPLNRVJDE-CABCVRRESA-N 2 2 349.479 1.096 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NCc2[nH+]ccn2CC(C)C)C[C@H]1C ZINC000357263003 445514871 /nfs/dbraw/zinc/51/48/71/445514871.db2.gz SRLHDFPLNRVJDE-CABCVRRESA-N 2 2 349.479 1.096 20 0 EDADLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000349125630 445515612 /nfs/dbraw/zinc/51/56/12/445515612.db2.gz FJOWQJIEMCAYKS-OAHLLOKOSA-N 2 2 329.400 1.961 20 0 EDADLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000349125630 445515614 /nfs/dbraw/zinc/51/56/14/445515614.db2.gz FJOWQJIEMCAYKS-OAHLLOKOSA-N 2 2 329.400 1.961 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000357277184 445521280 /nfs/dbraw/zinc/52/12/80/445521280.db2.gz XHYXGRGECZWKJC-FUHWJXTLSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000357277184 445521284 /nfs/dbraw/zinc/52/12/84/445521284.db2.gz XHYXGRGECZWKJC-FUHWJXTLSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1cccn2c(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cnc12 ZINC000362669367 445488970 /nfs/dbraw/zinc/48/89/70/445488970.db2.gz IRIHGFSDSGNPEN-HNNXBMFYSA-N 2 2 327.432 1.039 20 0 EDADLP Cc1cccn2c(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cnc12 ZINC000362669367 445488975 /nfs/dbraw/zinc/48/89/75/445488975.db2.gz IRIHGFSDSGNPEN-HNNXBMFYSA-N 2 2 327.432 1.039 20 0 EDADLP CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cs1 ZINC000362693745 445503731 /nfs/dbraw/zinc/50/37/31/445503731.db2.gz NNNQBEPQJPYOCK-AWEZNQCLSA-N 2 2 336.505 1.837 20 0 EDADLP CC(C)(C)c1nc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cs1 ZINC000362693745 445503734 /nfs/dbraw/zinc/50/37/34/445503734.db2.gz NNNQBEPQJPYOCK-AWEZNQCLSA-N 2 2 336.505 1.837 20 0 EDADLP Cc1cncc(/C=C/C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362790780 445551124 /nfs/dbraw/zinc/55/11/24/445551124.db2.gz BULMGEABZLRDCC-REMYHPOOSA-N 2 2 328.460 1.688 20 0 EDADLP Cc1cncc(/C=C/C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362790780 445551127 /nfs/dbraw/zinc/55/11/27/445551127.db2.gz BULMGEABZLRDCC-REMYHPOOSA-N 2 2 328.460 1.688 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCCCO1 ZINC000349344968 445568086 /nfs/dbraw/zinc/56/80/86/445568086.db2.gz HOPLIIHJKAEWRX-GOEBONIOSA-N 2 2 326.485 1.269 20 0 EDADLP CCOc1ccc(OCC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362829226 445570095 /nfs/dbraw/zinc/57/00/95/445570095.db2.gz GANFHBHDQMIPKX-INIZCTEOSA-N 2 2 347.459 1.360 20 0 EDADLP CCOc1ccc(OCC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362829226 445570099 /nfs/dbraw/zinc/57/00/99/445570099.db2.gz GANFHBHDQMIPKX-INIZCTEOSA-N 2 2 347.459 1.360 20 0 EDADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000349408338 445579664 /nfs/dbraw/zinc/57/96/64/445579664.db2.gz PLQHVLRETZJPFW-UHFFFAOYSA-N 2 2 349.523 1.873 20 0 EDADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c(C)nn(C)c1N1CCOCC1 ZINC000349408338 445579666 /nfs/dbraw/zinc/57/96/66/445579666.db2.gz PLQHVLRETZJPFW-UHFFFAOYSA-N 2 2 349.523 1.873 20 0 EDADLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000349253649 445548437 /nfs/dbraw/zinc/54/84/37/445548437.db2.gz WXAIFEHMPFENLD-INIZCTEOSA-N 2 2 326.462 1.458 20 0 EDADLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000349253649 445548441 /nfs/dbraw/zinc/54/84/41/445548441.db2.gz WXAIFEHMPFENLD-INIZCTEOSA-N 2 2 326.462 1.458 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000349553094 445611353 /nfs/dbraw/zinc/61/13/53/445611353.db2.gz PYSJSICJQJDRBX-WBVHZDCISA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000349553094 445611359 /nfs/dbraw/zinc/61/13/59/445611359.db2.gz PYSJSICJQJDRBX-WBVHZDCISA-N 2 2 334.464 1.137 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000358518908 445629383 /nfs/dbraw/zinc/62/93/83/445629383.db2.gz FFLWDWFCVCJGGD-HNNXBMFYSA-N 2 2 348.495 1.690 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@H](C)C[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000358518911 445629741 /nfs/dbraw/zinc/62/97/41/445629741.db2.gz FFLWDWFCVCJGGD-OAHLLOKOSA-N 2 2 348.495 1.690 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353501256 445631094 /nfs/dbraw/zinc/63/10/94/445631094.db2.gz YTCCLVSACXOERR-MHORFTMASA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353501256 445631099 /nfs/dbraw/zinc/63/10/99/445631099.db2.gz YTCCLVSACXOERR-MHORFTMASA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353501256 445631102 /nfs/dbraw/zinc/63/11/02/445631102.db2.gz YTCCLVSACXOERR-MHORFTMASA-N 3 2 336.524 1.392 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353501256 445631107 /nfs/dbraw/zinc/63/11/07/445631107.db2.gz YTCCLVSACXOERR-MHORFTMASA-N 3 2 336.524 1.392 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000358658186 445697659 /nfs/dbraw/zinc/69/76/59/445697659.db2.gz UWUBZSVUISJSQV-RBUKOAKNSA-N 2 2 347.503 1.985 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000358658184 445698136 /nfs/dbraw/zinc/69/81/36/445698136.db2.gz UWUBZSVUISJSQV-MOPGFXCFSA-N 2 2 347.503 1.985 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000363179961 445710238 /nfs/dbraw/zinc/71/02/38/445710238.db2.gz UZIOXRLRXXKQNM-OAHLLOKOSA-N 2 2 333.480 2.000 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCc3c([nH+]cn3C)C2)C1 ZINC000363179961 445710239 /nfs/dbraw/zinc/71/02/39/445710239.db2.gz UZIOXRLRXXKQNM-OAHLLOKOSA-N 2 2 333.480 2.000 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C2)C1 ZINC000356285132 445717646 /nfs/dbraw/zinc/71/76/46/445717646.db2.gz VHUADVPNACDYPE-PKOBYXMFSA-N 2 2 335.492 1.432 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C2)C1 ZINC000356285132 445717650 /nfs/dbraw/zinc/71/76/50/445717650.db2.gz VHUADVPNACDYPE-PKOBYXMFSA-N 2 2 335.492 1.432 20 0 EDADLP C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C2)C1 ZINC000356285132 445717654 /nfs/dbraw/zinc/71/76/54/445717654.db2.gz VHUADVPNACDYPE-PKOBYXMFSA-N 2 2 335.492 1.432 20 0 EDADLP C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C2)C1 ZINC000356285132 445717658 /nfs/dbraw/zinc/71/76/58/445717658.db2.gz VHUADVPNACDYPE-PKOBYXMFSA-N 2 2 335.492 1.432 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000353716986 445722041 /nfs/dbraw/zinc/72/20/41/445722041.db2.gz XVXKFITVUKSMDD-CABCVRRESA-N 2 2 337.468 1.136 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000353716986 445722045 /nfs/dbraw/zinc/72/20/45/445722045.db2.gz XVXKFITVUKSMDD-CABCVRRESA-N 2 2 337.468 1.136 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000356340779 445742402 /nfs/dbraw/zinc/74/24/02/445742402.db2.gz CFTPAJFZHHKLJP-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000356340779 445742410 /nfs/dbraw/zinc/74/24/10/445742410.db2.gz CFTPAJFZHHKLJP-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000356374512 445758016 /nfs/dbraw/zinc/75/80/16/445758016.db2.gz NVXVUJVMRMWGLP-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000356374512 445758020 /nfs/dbraw/zinc/75/80/20/445758020.db2.gz NVXVUJVMRMWGLP-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000356386296 445765922 /nfs/dbraw/zinc/76/59/22/445765922.db2.gz GLCBWWQVAQSPGJ-MRXNPFEDSA-N 2 2 336.436 1.079 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000356386296 445765927 /nfs/dbraw/zinc/76/59/27/445765927.db2.gz GLCBWWQVAQSPGJ-MRXNPFEDSA-N 2 2 336.436 1.079 20 0 EDADLP Cc1csc(=O)n1CCN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363478612 445821748 /nfs/dbraw/zinc/82/17/48/445821748.db2.gz BIYOYCCMCNZZRM-MRXNPFEDSA-N 2 2 338.521 1.319 20 0 EDADLP Cc1csc(=O)n1CCN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363478612 445821753 /nfs/dbraw/zinc/82/17/53/445821753.db2.gz BIYOYCCMCNZZRM-MRXNPFEDSA-N 2 2 338.521 1.319 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C12CCC2 ZINC000353946272 445822172 /nfs/dbraw/zinc/82/21/72/445822172.db2.gz GCHWGTKUVLECSS-JEILVPSUSA-N 2 2 349.519 1.863 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C12CCC2 ZINC000353946272 445822176 /nfs/dbraw/zinc/82/21/76/445822176.db2.gz GCHWGTKUVLECSS-JEILVPSUSA-N 2 2 349.519 1.863 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000353951353 445823989 /nfs/dbraw/zinc/82/39/89/445823989.db2.gz OJZNCXPUYAMVJW-HOTGVXAUSA-N 2 2 334.464 1.718 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000353951353 445823994 /nfs/dbraw/zinc/82/39/94/445823994.db2.gz OJZNCXPUYAMVJW-HOTGVXAUSA-N 2 2 334.464 1.718 20 0 EDADLP CCOC[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000353909753 445809049 /nfs/dbraw/zinc/80/90/49/445809049.db2.gz BOPVLCDTZUBBEW-QZTJIDSGSA-N 2 2 347.507 1.784 20 0 EDADLP C[C@@H](CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353972433 445834675 /nfs/dbraw/zinc/83/46/75/445834675.db2.gz NRSBVCKKQIIKBP-MIGBEJBISA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H](CC1CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353972433 445834680 /nfs/dbraw/zinc/83/46/80/445834680.db2.gz NRSBVCKKQIIKBP-MIGBEJBISA-N 2 2 337.508 1.865 20 0 EDADLP C[C@H]1C[NH+](CCCNc2cc[nH+]c(N3CCCCC3)n2)C[C@H](C)O1 ZINC000354075594 445888493 /nfs/dbraw/zinc/88/84/93/445888493.db2.gz MMVIZGXIDYLUKA-HOTGVXAUSA-N 2 2 333.480 2.378 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000365981113 445940973 /nfs/dbraw/zinc/94/09/73/445940973.db2.gz DZZUHYZCPBMFNU-KYHPRHEASA-N 2 2 345.491 2.090 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000365981113 445940977 /nfs/dbraw/zinc/94/09/77/445940977.db2.gz DZZUHYZCPBMFNU-KYHPRHEASA-N 2 2 345.491 2.090 20 0 EDADLP CC(C)[C@@H](CNc1cc[nH+]c(N2CCCCC2)n1)[NH+]1CCOCC1 ZINC000354080896 445891417 /nfs/dbraw/zinc/89/14/17/445891417.db2.gz YCMPTFZSCGEXEE-MRXNPFEDSA-N 2 2 333.480 2.236 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2CCC[C@@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000350732669 445891721 /nfs/dbraw/zinc/89/17/21/445891721.db2.gz QWDRHVMFSADEGE-MOPGFXCFSA-N 2 2 343.471 1.619 20 0 EDADLP O=C(C[N@H+]1C[C@H]2CCC[C@@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000350732669 445891725 /nfs/dbraw/zinc/89/17/25/445891725.db2.gz QWDRHVMFSADEGE-MOPGFXCFSA-N 2 2 343.471 1.619 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000364091697 445894962 /nfs/dbraw/zinc/89/49/62/445894962.db2.gz TVXHXFKAVZZYAK-GOEBONIOSA-N 2 2 342.447 1.749 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000364091697 445894970 /nfs/dbraw/zinc/89/49/70/445894970.db2.gz TVXHXFKAVZZYAK-GOEBONIOSA-N 2 2 342.447 1.749 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000364129972 445897215 /nfs/dbraw/zinc/89/72/15/445897215.db2.gz GQRIPKVZXBPRHU-GDBMZVCRSA-N 2 2 342.447 1.749 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000364129972 445897219 /nfs/dbraw/zinc/89/72/19/445897219.db2.gz GQRIPKVZXBPRHU-GDBMZVCRSA-N 2 2 342.447 1.749 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000350750556 445897396 /nfs/dbraw/zinc/89/73/96/445897396.db2.gz ZETTVSRHNSEDIC-SJLPKXTDSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000350750556 445897398 /nfs/dbraw/zinc/89/73/98/445897398.db2.gz ZETTVSRHNSEDIC-SJLPKXTDSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000350750556 445897399 /nfs/dbraw/zinc/89/73/99/445897399.db2.gz ZETTVSRHNSEDIC-SJLPKXTDSA-N 3 2 336.524 1.203 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000350750556 445897402 /nfs/dbraw/zinc/89/74/02/445897402.db2.gz ZETTVSRHNSEDIC-SJLPKXTDSA-N 3 2 336.524 1.203 20 0 EDADLP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1N1CCOCC1 ZINC000361745429 445911452 /nfs/dbraw/zinc/91/14/52/445911452.db2.gz RKTDCPDUICJNGF-ZWKOTPCHSA-N 2 2 341.459 1.810 20 0 EDADLP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1N1CCOCC1 ZINC000361745429 445911457 /nfs/dbraw/zinc/91/14/57/445911457.db2.gz RKTDCPDUICJNGF-ZWKOTPCHSA-N 2 2 341.459 1.810 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000372907075 445913750 /nfs/dbraw/zinc/91/37/50/445913750.db2.gz VWDUVTCNCZXBJN-UHFFFAOYSA-N 3 2 325.497 1.022 20 0 EDADLP COC(=O)C[C@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CCOC1 ZINC000361762252 445923586 /nfs/dbraw/zinc/92/35/86/445923586.db2.gz AJKVPIFSPARFHK-GOSISDBHSA-N 2 2 329.400 1.993 20 0 EDADLP COC(=O)C[C@@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CCOC1 ZINC000361762253 445924349 /nfs/dbraw/zinc/92/43/49/445924349.db2.gz AJKVPIFSPARFHK-SFHVURJKSA-N 2 2 329.400 1.993 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000361764800 445924951 /nfs/dbraw/zinc/92/49/51/445924951.db2.gz NLHFPLMGJMSPIB-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000361764800 445924958 /nfs/dbraw/zinc/92/49/58/445924958.db2.gz NLHFPLMGJMSPIB-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000361764800 445924962 /nfs/dbraw/zinc/92/49/62/445924962.db2.gz NLHFPLMGJMSPIB-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000361764800 445924969 /nfs/dbraw/zinc/92/49/69/445924969.db2.gz NLHFPLMGJMSPIB-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC000361764802 445925209 /nfs/dbraw/zinc/92/52/09/445925209.db2.gz NLHFPLMGJMSPIB-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC000361764802 445925213 /nfs/dbraw/zinc/92/52/13/445925213.db2.gz NLHFPLMGJMSPIB-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC000361764802 445925216 /nfs/dbraw/zinc/92/52/16/445925216.db2.gz NLHFPLMGJMSPIB-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC000361764802 445925218 /nfs/dbraw/zinc/92/52/18/445925218.db2.gz NLHFPLMGJMSPIB-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000373015802 445977190 /nfs/dbraw/zinc/97/71/90/445977190.db2.gz SXMCVJNMAVHBSX-JKSUJKDBSA-N 2 2 349.479 1.420 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CCCO1 ZINC000373015802 445977199 /nfs/dbraw/zinc/97/71/99/445977199.db2.gz SXMCVJNMAVHBSX-JKSUJKDBSA-N 2 2 349.479 1.420 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000365123070 446039631 /nfs/dbraw/zinc/03/96/31/446039631.db2.gz UEFMQUYXAUANAI-HNNXBMFYSA-N 2 2 349.479 1.513 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000365123070 446039642 /nfs/dbraw/zinc/03/96/42/446039642.db2.gz UEFMQUYXAUANAI-HNNXBMFYSA-N 2 2 349.479 1.513 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3COc4ccccc4O3)C2)CC1 ZINC000369275682 446040142 /nfs/dbraw/zinc/04/01/42/446040142.db2.gz YPKGHDHBMDCQLR-KBXCAEBGSA-N 2 2 345.443 1.111 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3COc4ccccc4O3)C2)CC1 ZINC000369275682 446040145 /nfs/dbraw/zinc/04/01/45/446040145.db2.gz YPKGHDHBMDCQLR-KBXCAEBGSA-N 2 2 345.443 1.111 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(n3cc(C)cn3)CC2)CC1 ZINC000369276873 446042024 /nfs/dbraw/zinc/04/20/24/446042024.db2.gz ITRKSMZBNNZPBE-MRXNPFEDSA-N 2 2 333.480 1.381 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366080342 446000280 /nfs/dbraw/zinc/00/02/80/446000280.db2.gz MWCLREKGLZGNDZ-INIZCTEOSA-N 2 2 347.459 1.174 20 0 EDADLP C[N@H+](C[C@@H](O)CN1CC[NH+](Cc2ccc(Cl)s2)CC1)C1CC1 ZINC000351379534 446050676 /nfs/dbraw/zinc/05/06/76/446050676.db2.gz CQSLEJLPOIHXBB-CQSZACIVSA-N 2 2 343.924 1.974 20 0 EDADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](Cc2ccc(Cl)s2)CC1)C1CC1 ZINC000351379534 446050680 /nfs/dbraw/zinc/05/06/80/446050680.db2.gz CQSLEJLPOIHXBB-CQSZACIVSA-N 2 2 343.924 1.974 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000583539227 326090107 /nfs/dbraw/zinc/09/01/07/326090107.db2.gz YRECYUMNRSPZMH-AWEZNQCLSA-N 2 2 336.436 1.063 20 0 EDADLP Cc1cc([C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2cccnc2)ccc1F ZINC000583558656 326095008 /nfs/dbraw/zinc/09/50/08/326095008.db2.gz GOXIWLHFRFHMHQ-IBGZPJMESA-N 2 2 342.418 1.640 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cn2c1 ZINC000583682404 326117240 /nfs/dbraw/zinc/11/72/40/326117240.db2.gz MLVOKACBOUWHRS-IMJJTQAJSA-N 2 2 327.432 1.912 20 0 EDADLP CO[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000359225519 446054941 /nfs/dbraw/zinc/05/49/41/446054941.db2.gz LXBHLEKTYHHWED-ZWKOTPCHSA-N 2 2 347.459 1.097 20 0 EDADLP Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000369297180 446056244 /nfs/dbraw/zinc/05/62/44/446056244.db2.gz CMDJGOCBLRFTNP-HOTGVXAUSA-N 2 2 333.480 1.652 20 0 EDADLP Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000369297180 446056250 /nfs/dbraw/zinc/05/62/50/446056250.db2.gz CMDJGOCBLRFTNP-HOTGVXAUSA-N 2 2 333.480 1.652 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000583972842 326174574 /nfs/dbraw/zinc/17/45/74/326174574.db2.gz DGXBJCLHBNOFMK-IAGOWNOFSA-N 2 2 345.443 1.796 20 0 EDADLP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000583972842 326174578 /nfs/dbraw/zinc/17/45/78/326174578.db2.gz DGXBJCLHBNOFMK-IAGOWNOFSA-N 2 2 345.443 1.796 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@@H+]1C1CC1 ZINC000365217821 446083796 /nfs/dbraw/zinc/08/37/96/446083796.db2.gz YBKZYPAUMFNBNT-GRDNDAEWSA-N 2 2 330.432 1.870 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C[N@H+]1C1CC1 ZINC000365217821 446083798 /nfs/dbraw/zinc/08/37/98/446083798.db2.gz YBKZYPAUMFNBNT-GRDNDAEWSA-N 2 2 330.432 1.870 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccn(C4CCCC4)n3)C2)CC1 ZINC000366290200 446131975 /nfs/dbraw/zinc/13/19/75/446131975.db2.gz LDYZEXVQELMLBJ-HNNXBMFYSA-N 2 2 345.491 1.897 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccn(C4CCCC4)n3)C2)CC1 ZINC000366290200 446131978 /nfs/dbraw/zinc/13/19/78/446131978.db2.gz LDYZEXVQELMLBJ-HNNXBMFYSA-N 2 2 345.491 1.897 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000356898806 446106609 /nfs/dbraw/zinc/10/66/09/446106609.db2.gz KCBGUZBJQZHCFD-ZHALLVOQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000356898806 446106610 /nfs/dbraw/zinc/10/66/10/446106610.db2.gz KCBGUZBJQZHCFD-ZHALLVOQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000356898806 446106612 /nfs/dbraw/zinc/10/66/12/446106612.db2.gz KCBGUZBJQZHCFD-ZHALLVOQSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000356898806 446106613 /nfs/dbraw/zinc/10/66/13/446106613.db2.gz KCBGUZBJQZHCFD-ZHALLVOQSA-N 2 2 345.487 1.829 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nc(COc4ccc(F)cc4)no3)C[C@H]12 ZINC000351502260 446107413 /nfs/dbraw/zinc/10/74/13/446107413.db2.gz ZKQXONRCPFZPGF-BYCMXARLSA-N 2 2 332.379 1.957 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nc(COc4ccc(F)cc4)no3)C[C@H]12 ZINC000351502260 446107421 /nfs/dbraw/zinc/10/74/21/446107421.db2.gz ZKQXONRCPFZPGF-BYCMXARLSA-N 2 2 332.379 1.957 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000369373514 446112899 /nfs/dbraw/zinc/11/28/99/446112899.db2.gz PQDPIIZSIKEFAP-CABCVRRESA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000369373514 446112905 /nfs/dbraw/zinc/11/29/05/446112905.db2.gz PQDPIIZSIKEFAP-CABCVRRESA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000369373516 446113405 /nfs/dbraw/zinc/11/34/05/446113405.db2.gz PQDPIIZSIKEFAP-HUUCEWRRSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC(C)(C)O1 ZINC000369373516 446113407 /nfs/dbraw/zinc/11/34/07/446113407.db2.gz PQDPIIZSIKEFAP-HUUCEWRRSA-N 2 2 338.496 1.364 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCC4)CC3)C[C@H]21 ZINC000351520098 446121478 /nfs/dbraw/zinc/12/14/78/446121478.db2.gz DMFWDHFLRALREX-IAGOWNOFSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCC4)CC3)C[C@H]21 ZINC000351520098 446121486 /nfs/dbraw/zinc/12/14/86/446121486.db2.gz DMFWDHFLRALREX-IAGOWNOFSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000359295555 446129627 /nfs/dbraw/zinc/12/96/27/446129627.db2.gz XBMPPKDMCXCLEJ-RYQLBKOJSA-N 2 2 331.460 1.422 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000359295555 446129632 /nfs/dbraw/zinc/12/96/32/446129632.db2.gz XBMPPKDMCXCLEJ-RYQLBKOJSA-N 2 2 331.460 1.422 20 0 EDADLP CS[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH+]1CCCC1 ZINC000362030325 446167130 /nfs/dbraw/zinc/16/71/30/446167130.db2.gz WADXJGDGNYVAIE-YVSFHVDLSA-N 2 2 325.522 1.361 20 0 EDADLP CS[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH+]1CCCC1 ZINC000362030325 446167132 /nfs/dbraw/zinc/16/71/32/446167132.db2.gz WADXJGDGNYVAIE-YVSFHVDLSA-N 2 2 325.522 1.361 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(C[NH+](C)C)on1 ZINC000359364418 446175944 /nfs/dbraw/zinc/17/59/44/446175944.db2.gz UCGWGSBNFIXLRO-UHFFFAOYSA-N 2 2 331.420 1.335 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3CO)C2)CC1 ZINC000370025795 446176312 /nfs/dbraw/zinc/17/63/12/446176312.db2.gz GTOMAYKFFGTZGU-VYDXJSESSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCCC[C@@H]3CO)C2)CC1 ZINC000370025795 446176316 /nfs/dbraw/zinc/17/63/16/446176316.db2.gz GTOMAYKFFGTZGU-VYDXJSESSA-N 2 2 338.496 1.005 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000354401493 446179655 /nfs/dbraw/zinc/17/96/55/446179655.db2.gz PIUFJZXQVHGQKJ-CVEARBPZSA-N 2 2 332.448 1.331 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000366378719 446181122 /nfs/dbraw/zinc/18/11/22/446181122.db2.gz SAKWSGQBIYPMSC-OIISXLGYSA-N 2 2 344.459 1.284 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000366378719 446181126 /nfs/dbraw/zinc/18/11/26/446181126.db2.gz SAKWSGQBIYPMSC-OIISXLGYSA-N 2 2 344.459 1.284 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000366378719 446181131 /nfs/dbraw/zinc/18/11/31/446181131.db2.gz SAKWSGQBIYPMSC-OIISXLGYSA-N 2 2 344.459 1.284 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000366378719 446181137 /nfs/dbraw/zinc/18/11/37/446181137.db2.gz SAKWSGQBIYPMSC-OIISXLGYSA-N 2 2 344.459 1.284 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000369660914 446142108 /nfs/dbraw/zinc/14/21/08/446142108.db2.gz NAOHELLZPSQORI-MRXNPFEDSA-N 2 2 346.475 1.131 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000373288291 446145267 /nfs/dbraw/zinc/14/52/67/446145267.db2.gz YJHHSTIGJXLZOI-HOTGVXAUSA-N 2 2 349.479 1.167 20 0 EDADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359317750 446145873 /nfs/dbraw/zinc/14/58/73/446145873.db2.gz YDKHCCSBGSVSRK-IJLUTSLNSA-N 2 2 325.359 1.766 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1CC ZINC000354432622 446200548 /nfs/dbraw/zinc/20/05/48/446200548.db2.gz OXNLNBFJUIDKRO-IAGOWNOFSA-N 2 2 348.491 1.713 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1CC ZINC000354432622 446200553 /nfs/dbraw/zinc/20/05/53/446200553.db2.gz OXNLNBFJUIDKRO-IAGOWNOFSA-N 2 2 348.491 1.713 20 0 EDADLP c1nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000365453830 446213697 /nfs/dbraw/zinc/21/36/97/446213697.db2.gz UAOQNDQIUNWCOY-OAHLLOKOSA-N 2 2 349.504 1.695 20 0 EDADLP c1nc(N2CCSCC2)cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]1 ZINC000365453830 446213703 /nfs/dbraw/zinc/21/37/03/446213703.db2.gz UAOQNDQIUNWCOY-OAHLLOKOSA-N 2 2 349.504 1.695 20 0 EDADLP Cn1ncc2c1nc(NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)[nH+]c2N ZINC000365463378 446219124 /nfs/dbraw/zinc/21/91/24/446219124.db2.gz QVLNIOCOTRQCCL-ZWNOBZJWSA-N 2 2 343.460 2.112 20 0 EDADLP Cn1ncc2c1nc(NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)[nH+]c2N ZINC000365463378 446219130 /nfs/dbraw/zinc/21/91/30/446219130.db2.gz QVLNIOCOTRQCCL-ZWNOBZJWSA-N 2 2 343.460 2.112 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000365497053 446231881 /nfs/dbraw/zinc/23/18/81/446231881.db2.gz IEBXMMQOOFILRY-SJORKVTESA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000365497053 446231883 /nfs/dbraw/zinc/23/18/83/446231883.db2.gz IEBXMMQOOFILRY-SJORKVTESA-N 2 2 336.480 1.119 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000359459876 446236023 /nfs/dbraw/zinc/23/60/23/446236023.db2.gz FPBMEEBLENHFSG-HNNXBMFYSA-N 2 2 349.479 1.005 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1[nH+]ccn1C ZINC000359459876 446236027 /nfs/dbraw/zinc/23/60/27/446236027.db2.gz FPBMEEBLENHFSG-HNNXBMFYSA-N 2 2 349.479 1.005 20 0 EDADLP C[NH+]1CC[C@]2(CC[NH+](CCCC[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366522548 446247717 /nfs/dbraw/zinc/24/77/17/446247717.db2.gz NHKSNCWYKOCBQF-BGYRXZFFSA-N 4 2 334.552 1.822 20 0 EDADLP C[NH+]1CC[C@]2(CC[NH+](CCCC[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366522548 446247721 /nfs/dbraw/zinc/24/77/21/446247721.db2.gz NHKSNCWYKOCBQF-BGYRXZFFSA-N 4 2 334.552 1.822 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CCCC[NH+]3CC[C@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000366522548 446247724 /nfs/dbraw/zinc/24/77/24/446247724.db2.gz NHKSNCWYKOCBQF-BGYRXZFFSA-N 4 2 334.552 1.822 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCCC[NH+]3CC[C@]4(CC[NH+](C)C4)C3)C2)C1 ZINC000366522548 446247729 /nfs/dbraw/zinc/24/77/29/446247729.db2.gz NHKSNCWYKOCBQF-BGYRXZFFSA-N 4 2 334.552 1.822 20 0 EDADLP Cc1cnccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373543133 446255216 /nfs/dbraw/zinc/25/52/16/446255216.db2.gz HQVXRMIKHXNNAS-GOSISDBHSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1cnccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373543133 446255219 /nfs/dbraw/zinc/25/52/19/446255219.db2.gz HQVXRMIKHXNNAS-GOSISDBHSA-N 2 2 345.491 1.700 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000359567898 446295940 /nfs/dbraw/zinc/29/59/40/446295940.db2.gz WCJAJJHTWKDMKX-OAHLLOKOSA-N 2 2 346.475 1.863 20 0 EDADLP c1nc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(N2CCSCC2)[nH+]1 ZINC000370499314 446306771 /nfs/dbraw/zinc/30/67/71/446306771.db2.gz LKWITUPNFHANLD-UONOGXRCSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(N2CCSCC2)[nH+]1 ZINC000370499314 446306773 /nfs/dbraw/zinc/30/67/73/446306773.db2.gz LKWITUPNFHANLD-UONOGXRCSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(N2CCSCC2)cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]1 ZINC000370499314 446306776 /nfs/dbraw/zinc/30/67/76/446306776.db2.gz LKWITUPNFHANLD-UONOGXRCSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(N2CCSCC2)cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]1 ZINC000370499314 446306779 /nfs/dbraw/zinc/30/67/79/446306779.db2.gz LKWITUPNFHANLD-UONOGXRCSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(N2CCSCC2)[nH+]1 ZINC000370499305 446306912 /nfs/dbraw/zinc/30/69/12/446306912.db2.gz LKWITUPNFHANLD-KBPBESRZSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc(N2CCSCC2)[nH+]1 ZINC000370499305 446306914 /nfs/dbraw/zinc/30/69/14/446306914.db2.gz LKWITUPNFHANLD-KBPBESRZSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(N2CCSCC2)cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]1 ZINC000370499305 446306916 /nfs/dbraw/zinc/30/69/16/446306916.db2.gz LKWITUPNFHANLD-KBPBESRZSA-N 2 2 335.477 1.305 20 0 EDADLP c1nc(N2CCSCC2)cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]1 ZINC000370499305 446306918 /nfs/dbraw/zinc/30/69/18/446306918.db2.gz LKWITUPNFHANLD-KBPBESRZSA-N 2 2 335.477 1.305 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)CCC(C)C)CC2)C1 ZINC000373674441 446298594 /nfs/dbraw/zinc/29/85/94/446298594.db2.gz VVFXOFGHOQOBGS-MSOLQXFVSA-N 2 2 327.513 1.122 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)CCC(C)C)CC2)C1 ZINC000373674441 446298599 /nfs/dbraw/zinc/29/85/99/446298599.db2.gz VVFXOFGHOQOBGS-MSOLQXFVSA-N 2 2 327.513 1.122 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000376153135 446356789 /nfs/dbraw/zinc/35/67/89/446356789.db2.gz VOKIBKZXPCPKAQ-INIZCTEOSA-N 2 2 327.432 1.933 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000376152198 446357156 /nfs/dbraw/zinc/35/71/56/446357156.db2.gz SWHJRUGDTDWUNV-HKUYNNGSSA-N 2 2 331.460 1.349 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000376152198 446357160 /nfs/dbraw/zinc/35/71/60/446357160.db2.gz SWHJRUGDTDWUNV-HKUYNNGSSA-N 2 2 331.460 1.349 20 0 EDADLP C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000417517653 446360422 /nfs/dbraw/zinc/36/04/22/446360422.db2.gz JFRVNDUEVHYMQB-IAGOWNOFSA-N 2 2 348.491 1.309 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000417832935 446374172 /nfs/dbraw/zinc/37/41/72/446374172.db2.gz IYIGNHVNQUTABS-ABHNRTSZSA-N 2 2 330.476 1.327 20 0 EDADLP C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCCC[NH3+])c2cccs2)CCO1 ZINC000417809921 446374277 /nfs/dbraw/zinc/37/42/77/446374277.db2.gz BNCJGXZROXBQFQ-STQMWFEESA-N 2 2 326.466 1.158 20 0 EDADLP C[C@H]1C[N@H+]([C@@H](CNC(=O)NCCC[NH3+])c2cccs2)CCO1 ZINC000417809921 446374281 /nfs/dbraw/zinc/37/42/81/446374281.db2.gz BNCJGXZROXBQFQ-STQMWFEESA-N 2 2 326.466 1.158 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370714333 446399997 /nfs/dbraw/zinc/39/99/97/446399997.db2.gz JCCWXTDZSOHWFE-MRXNPFEDSA-N 3 2 348.495 1.083 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370714333 446400001 /nfs/dbraw/zinc/40/00/01/446400001.db2.gz JCCWXTDZSOHWFE-MRXNPFEDSA-N 3 2 348.495 1.083 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417841263 446375455 /nfs/dbraw/zinc/37/54/55/446375455.db2.gz LUBKNZYITVKQCM-KRWDZBQOSA-N 2 2 333.476 1.835 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417841263 446375456 /nfs/dbraw/zinc/37/54/56/446375456.db2.gz LUBKNZYITVKQCM-KRWDZBQOSA-N 2 2 333.476 1.835 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000366841718 446377034 /nfs/dbraw/zinc/37/70/34/446377034.db2.gz KIVJAPJUXUXLOY-WFASDCNBSA-N 2 2 342.374 1.681 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000366841718 446377041 /nfs/dbraw/zinc/37/70/41/446377041.db2.gz KIVJAPJUXUXLOY-WFASDCNBSA-N 2 2 342.374 1.681 20 0 EDADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370669602 446379678 /nfs/dbraw/zinc/37/96/78/446379678.db2.gz NTRDDFRKZWUUPT-FGTMMUONSA-N 3 2 327.513 1.434 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370669602 446379680 /nfs/dbraw/zinc/37/96/80/446379680.db2.gz NTRDDFRKZWUUPT-FGTMMUONSA-N 3 2 327.513 1.434 20 0 EDADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370669602 446379682 /nfs/dbraw/zinc/37/96/82/446379682.db2.gz NTRDDFRKZWUUPT-FGTMMUONSA-N 3 2 327.513 1.434 20 0 EDADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370669602 446379683 /nfs/dbraw/zinc/37/96/83/446379683.db2.gz NTRDDFRKZWUUPT-FGTMMUONSA-N 3 2 327.513 1.434 20 0 EDADLP CCCCNc1cc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)nc(N)[nH+]1 ZINC000376222658 446388481 /nfs/dbraw/zinc/38/84/81/446388481.db2.gz ZSPKRNSZCIXCTQ-OAHLLOKOSA-N 2 2 347.511 1.487 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncnn3C(C)(C)C)C2)CC1 ZINC000374773108 446391858 /nfs/dbraw/zinc/39/18/58/446391858.db2.gz BQNGYFKIWAYVDT-MRXNPFEDSA-N 2 2 334.512 1.633 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncnn3C(C)(C)C)C2)CC1 ZINC000374773108 446391865 /nfs/dbraw/zinc/39/18/65/446391865.db2.gz BQNGYFKIWAYVDT-MRXNPFEDSA-N 2 2 334.512 1.633 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000420245419 446429373 /nfs/dbraw/zinc/42/93/73/446429373.db2.gz LGKISVUPDSIWNA-GFCCVEGCSA-N 2 2 330.354 1.924 20 0 EDADLP C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374909835 446452522 /nfs/dbraw/zinc/45/25/22/446452522.db2.gz IZYCIXLVXJTNTG-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000374909835 446452527 /nfs/dbraw/zinc/45/25/27/446452527.db2.gz IZYCIXLVXJTNTG-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000420265867 446439599 /nfs/dbraw/zinc/43/95/99/446439599.db2.gz BWGPFEXDHXMKAN-MRXNPFEDSA-N 2 2 327.432 1.988 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CCCN2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423193532 446450516 /nfs/dbraw/zinc/45/05/16/446450516.db2.gz WTCSVMVMHKQTSM-UYAOXDASSA-N 3 2 330.520 1.924 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CCCN2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423193532 446450520 /nfs/dbraw/zinc/45/05/20/446450520.db2.gz WTCSVMVMHKQTSM-UYAOXDASSA-N 3 2 330.520 1.924 20 0 EDADLP CCn1c[nH+]cc1CNc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000417970420 446404252 /nfs/dbraw/zinc/40/42/52/446404252.db2.gz QDKVNWWFLIFSOL-UHFFFAOYSA-N 2 2 329.404 1.985 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000370735028 446407668 /nfs/dbraw/zinc/40/76/68/446407668.db2.gz OCDFOUWURNAAPK-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417984210 446408446 /nfs/dbraw/zinc/40/84/46/446408446.db2.gz CXRBXTFZPGNHJF-RJIBLYRGSA-N 2 2 344.381 1.886 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417984210 446408450 /nfs/dbraw/zinc/40/84/50/446408450.db2.gz CXRBXTFZPGNHJF-RJIBLYRGSA-N 2 2 344.381 1.886 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370806785 446453348 /nfs/dbraw/zinc/45/33/48/446453348.db2.gz XJVPSPVKSVVZEC-MSOLQXFVSA-N 2 2 331.460 1.092 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCC[N@H+](C[C@H](O)Cn2cccn2)CC1 ZINC000370759933 446420166 /nfs/dbraw/zinc/42/01/66/446420166.db2.gz PCIPRZFYOVRPQH-KRWDZBQOSA-N 2 2 346.479 1.229 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC000370759933 446420169 /nfs/dbraw/zinc/42/01/69/446420169.db2.gz PCIPRZFYOVRPQH-KRWDZBQOSA-N 2 2 346.479 1.229 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000370766477 446424716 /nfs/dbraw/zinc/42/47/16/446424716.db2.gz MIBUTVADHHUUAF-WOPDTQHZSA-N 2 2 330.354 1.982 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411269415 446457269 /nfs/dbraw/zinc/45/72/69/446457269.db2.gz HVHSPAGMNHNVDF-OAHLLOKOSA-N 2 2 332.448 1.888 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411269415 446457273 /nfs/dbraw/zinc/45/72/73/446457273.db2.gz HVHSPAGMNHNVDF-OAHLLOKOSA-N 2 2 332.448 1.888 20 0 EDADLP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418206557 446457395 /nfs/dbraw/zinc/45/73/95/446457395.db2.gz HQTSCSFWVVRXBX-KRWDZBQOSA-N 2 2 332.448 1.020 20 0 EDADLP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418206557 446457405 /nfs/dbraw/zinc/45/74/05/446457405.db2.gz HQTSCSFWVVRXBX-KRWDZBQOSA-N 2 2 332.448 1.020 20 0 EDADLP c1cc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423234549 446460935 /nfs/dbraw/zinc/46/09/35/446460935.db2.gz QAWGBPVNVJSOBR-BBWFWOEESA-N 3 2 331.464 1.060 20 0 EDADLP COC(=O)c1ccc(F)c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000420300245 446463823 /nfs/dbraw/zinc/46/38/23/446463823.db2.gz CECOBOHZKOAOPY-HNNXBMFYSA-N 2 2 349.406 1.009 20 0 EDADLP COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000420300245 446463830 /nfs/dbraw/zinc/46/38/30/446463830.db2.gz CECOBOHZKOAOPY-HNNXBMFYSA-N 2 2 349.406 1.009 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420301092 446464321 /nfs/dbraw/zinc/46/43/21/446464321.db2.gz DPFWTACILKCLGN-JYJNAYRXSA-N 2 2 345.443 1.779 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420301092 446464326 /nfs/dbraw/zinc/46/43/26/446464326.db2.gz DPFWTACILKCLGN-JYJNAYRXSA-N 2 2 345.443 1.779 20 0 EDADLP C[NH2+]CCCNC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000418275101 446481445 /nfs/dbraw/zinc/48/14/45/446481445.db2.gz BUXDZOGACVLBMX-UHFFFAOYSA-N 2 2 334.468 1.350 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452799269 446473251 /nfs/dbraw/zinc/47/32/51/446473251.db2.gz PXDLYLJGBSKGMQ-CQSZACIVSA-N 2 2 325.478 1.386 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452799269 446473261 /nfs/dbraw/zinc/47/32/61/446473261.db2.gz PXDLYLJGBSKGMQ-CQSZACIVSA-N 2 2 325.478 1.386 20 0 EDADLP Nc1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000420314749 446480352 /nfs/dbraw/zinc/48/03/52/446480352.db2.gz WFXIOHSZBOQZSG-LEWSCRJBSA-N 2 2 343.410 1.506 20 0 EDADLP Nc1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc(Nc2ccc(F)cc2)n1 ZINC000420314749 446480358 /nfs/dbraw/zinc/48/03/58/446480358.db2.gz WFXIOHSZBOQZSG-LEWSCRJBSA-N 2 2 343.410 1.506 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000420322497 446488150 /nfs/dbraw/zinc/48/81/50/446488150.db2.gz SNCLHJRNSSLKEW-LSDHHAIUSA-N 2 2 333.432 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000420322497 446488156 /nfs/dbraw/zinc/48/81/56/446488156.db2.gz SNCLHJRNSSLKEW-LSDHHAIUSA-N 2 2 333.432 1.252 20 0 EDADLP O=C(NC1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000418301852 446491286 /nfs/dbraw/zinc/49/12/86/446491286.db2.gz AFSSFUMDEPXUNP-UHFFFAOYSA-N 2 2 336.867 1.919 20 0 EDADLP Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420324623 446491410 /nfs/dbraw/zinc/49/14/10/446491410.db2.gz CCUSARGDSCBLOT-UHFFFAOYSA-N 2 2 338.839 1.125 20 0 EDADLP Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420324623 446491414 /nfs/dbraw/zinc/49/14/14/446491414.db2.gz CCUSARGDSCBLOT-UHFFFAOYSA-N 2 2 338.839 1.125 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000420330750 446501239 /nfs/dbraw/zinc/50/12/39/446501239.db2.gz LUZBEROKZDSFHA-SJORKVTESA-N 2 2 338.473 1.289 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2cccc(Cl)c2)CC12CCOCC2 ZINC000420332159 446502606 /nfs/dbraw/zinc/50/26/06/446502606.db2.gz RKIBBNIYXJRXNO-CYBMUJFWSA-N 2 2 337.851 1.966 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2)CC12CCOCC2 ZINC000420332159 446502611 /nfs/dbraw/zinc/50/26/11/446502611.db2.gz RKIBBNIYXJRXNO-CYBMUJFWSA-N 2 2 337.851 1.966 20 0 EDADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)C[NH+]1CCOCC1 ZINC000423365387 446502868 /nfs/dbraw/zinc/50/28/68/446502868.db2.gz BDVCUZPVVYFTEP-XHDPSFHLSA-N 2 2 327.375 1.049 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423376325 446508796 /nfs/dbraw/zinc/50/87/96/446508796.db2.gz UYTXXFUTLQALCL-PVXIVEMSSA-N 2 2 325.403 1.867 20 0 EDADLP COCCCn1nccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374993205 446499476 /nfs/dbraw/zinc/49/94/76/446499476.db2.gz CQTNWGLXVPAVQD-IEBWSBKVSA-N 2 2 349.523 1.377 20 0 EDADLP COCCCn1nccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374993205 446499479 /nfs/dbraw/zinc/49/94/79/446499479.db2.gz CQTNWGLXVPAVQD-IEBWSBKVSA-N 2 2 349.523 1.377 20 0 EDADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(F)c1 ZINC000420330045 446499516 /nfs/dbraw/zinc/49/95/16/446499516.db2.gz PIDHZVRBHWDMBV-QAPCUYQASA-N 2 2 335.423 1.901 20 0 EDADLP COCC[NH2+]CCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418484704 446561244 /nfs/dbraw/zinc/56/12/44/446561244.db2.gz DHNORLHEWPYGJW-VMPITWQZSA-N 2 2 346.475 1.263 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000418370837 446518421 /nfs/dbraw/zinc/51/84/21/446518421.db2.gz OZKWBZFMELCKIG-HNNXBMFYSA-N 2 2 346.479 1.492 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418379515 446521657 /nfs/dbraw/zinc/52/16/57/446521657.db2.gz DCQQLEWAENUQQF-KCQAQPDRSA-N 2 2 342.484 1.943 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418379515 446521662 /nfs/dbraw/zinc/52/16/62/446521662.db2.gz DCQQLEWAENUQQF-KCQAQPDRSA-N 2 2 342.484 1.943 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000418380840 446522704 /nfs/dbraw/zinc/52/27/04/446522704.db2.gz HOPPPSHXKWUMIU-AWEZNQCLSA-N 2 2 333.480 1.964 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000411405281 446523675 /nfs/dbraw/zinc/52/36/75/446523675.db2.gz GOUCBAAGYQDQFQ-INIZCTEOSA-N 2 2 348.516 1.981 20 0 EDADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000423416208 446524486 /nfs/dbraw/zinc/52/44/86/446524486.db2.gz FOOFYSKGKVTASZ-CZUORRHYSA-N 2 2 341.477 1.477 20 0 EDADLP Clc1ccc(-n2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)nn2)cc1 ZINC000420351359 446529587 /nfs/dbraw/zinc/52/95/87/446529587.db2.gz WRCSMZFLLJNCQD-KRWDZBQOSA-N 2 2 346.866 1.400 20 0 EDADLP Clc1ccc(-n2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)nn2)cc1 ZINC000420351359 446529594 /nfs/dbraw/zinc/52/95/94/446529594.db2.gz WRCSMZFLLJNCQD-KRWDZBQOSA-N 2 2 346.866 1.400 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420391321 446567203 /nfs/dbraw/zinc/56/72/03/446567203.db2.gz APTXWFQAUUVAGM-RHSMWYFYSA-N 2 2 333.476 1.715 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420391321 446567209 /nfs/dbraw/zinc/56/72/09/446567209.db2.gz APTXWFQAUUVAGM-RHSMWYFYSA-N 2 2 333.476 1.715 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420353627 446533653 /nfs/dbraw/zinc/53/36/53/446533653.db2.gz AQJLULQCVUINEW-QMTMVMCOSA-N 2 2 349.475 1.556 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423436007 446535908 /nfs/dbraw/zinc/53/59/08/446535908.db2.gz FEGSVPQADDFGBL-ZWKOTPCHSA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423436007 446535917 /nfs/dbraw/zinc/53/59/17/446535917.db2.gz FEGSVPQADDFGBL-ZWKOTPCHSA-N 2 2 335.492 1.478 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000420358576 446539546 /nfs/dbraw/zinc/53/95/46/446539546.db2.gz FJOIQZFIWOZNMB-BEHLRCOKSA-N 2 2 331.460 1.991 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCC2 ZINC000370959506 446540325 /nfs/dbraw/zinc/54/03/25/446540325.db2.gz MFKOGPUUIDXYJM-KKUMJFAQSA-N 2 2 331.464 1.993 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](C3CC3)C1)CCC2 ZINC000370959506 446540330 /nfs/dbraw/zinc/54/03/30/446540330.db2.gz MFKOGPUUIDXYJM-KKUMJFAQSA-N 2 2 331.464 1.993 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000423472709 446550563 /nfs/dbraw/zinc/55/05/63/446550563.db2.gz XZOUZGCVGFJPFQ-KKNUOHPOSA-N 2 2 329.435 1.986 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NCCCOc1ccccc1F ZINC000420373903 446552145 /nfs/dbraw/zinc/55/21/45/446552145.db2.gz ZOOYZPWPHGSMFJ-HNNXBMFYSA-N 2 2 325.428 1.674 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000420374003 446552364 /nfs/dbraw/zinc/55/23/64/446552364.db2.gz ZVHUBBQMFQZGCX-CYBMUJFWSA-N 2 2 341.358 1.924 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C12CCOCC2 ZINC000453257956 446552691 /nfs/dbraw/zinc/55/26/91/446552691.db2.gz HIKQFDXXRCBNRW-GVDBMIGSSA-N 2 2 326.481 1.397 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C12CCOCC2 ZINC000453257956 446552696 /nfs/dbraw/zinc/55/26/96/446552696.db2.gz HIKQFDXXRCBNRW-GVDBMIGSSA-N 2 2 326.481 1.397 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423498356 446555178 /nfs/dbraw/zinc/55/51/78/446555178.db2.gz BQUBCRLZSMECSM-AEFFLSMTSA-N 2 2 325.460 1.743 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411464734 446555376 /nfs/dbraw/zinc/55/53/76/446555376.db2.gz VHXFBLIUMGRWJI-UHFFFAOYSA-N 2 2 343.431 1.607 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000420393273 446569212 /nfs/dbraw/zinc/56/92/12/446569212.db2.gz XICFJNIVSFECBW-CABCVRRESA-N 2 2 335.448 1.215 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000420393273 446569213 /nfs/dbraw/zinc/56/92/13/446569213.db2.gz XICFJNIVSFECBW-CABCVRRESA-N 2 2 335.448 1.215 20 0 EDADLP COCC[NH2+]CCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000418509870 446573074 /nfs/dbraw/zinc/57/30/74/446573074.db2.gz OTSJIRKUGOTLJK-AWEZNQCLSA-N 2 2 340.493 1.372 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(=O)OC ZINC000420404728 446579108 /nfs/dbraw/zinc/57/91/08/446579108.db2.gz SKCCPWBVENFYAY-JKQORVJESA-N 2 2 339.480 1.154 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(=O)OC ZINC000420404728 446579117 /nfs/dbraw/zinc/57/91/17/446579117.db2.gz SKCCPWBVENFYAY-JKQORVJESA-N 2 2 339.480 1.154 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@@H]1C[NH3+] ZINC000420407192 446580674 /nfs/dbraw/zinc/58/06/74/446580674.db2.gz OEANIEBBWOBXHY-ZFWWWQNUSA-N 2 2 344.459 1.434 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@@H]1C[NH3+] ZINC000420407192 446580678 /nfs/dbraw/zinc/58/06/78/446580678.db2.gz OEANIEBBWOBXHY-ZFWWWQNUSA-N 2 2 344.459 1.434 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2CCn3cc[nH+]c3C2)[nH+]cn1 ZINC000433785571 446598503 /nfs/dbraw/zinc/59/85/03/446598503.db2.gz SCBRQLIEUDVLCD-KGLIPLIRSA-N 2 2 328.420 1.451 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2CCn3cc[nH+]c3C2)nc[nH+]1 ZINC000433785571 446598511 /nfs/dbraw/zinc/59/85/11/446598511.db2.gz SCBRQLIEUDVLCD-KGLIPLIRSA-N 2 2 328.420 1.451 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1c1ccccc1 ZINC000423604542 446599367 /nfs/dbraw/zinc/59/93/67/446599367.db2.gz GIPZUCPAEMQRLP-IPMKNSEASA-N 2 2 343.471 1.583 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000434415147 446645546 /nfs/dbraw/zinc/64/55/46/446645546.db2.gz GMTUUTDRRUAYQH-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[N@@H+]1CCO[C@H](c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)C1 ZINC000420487202 446652574 /nfs/dbraw/zinc/65/25/74/446652574.db2.gz JVTZHKMILRIQJG-AWEZNQCLSA-N 2 2 347.419 1.465 20 0 EDADLP CC[N@H+]1CCO[C@H](c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)C1 ZINC000420487202 446652581 /nfs/dbraw/zinc/65/25/81/446652581.db2.gz JVTZHKMILRIQJG-AWEZNQCLSA-N 2 2 347.419 1.465 20 0 EDADLP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000423710232 446652848 /nfs/dbraw/zinc/65/28/48/446652848.db2.gz KIBVLZICLCEJAO-HNNXBMFYSA-N 2 2 337.851 1.363 20 0 EDADLP C[NH+]1CCC(CNC(=O)Cc2cncnc2)([NH+]2CCCCC2)CC1 ZINC000368146547 446667423 /nfs/dbraw/zinc/66/74/23/446667423.db2.gz FURLZSKBTATJTE-UHFFFAOYSA-N 2 2 331.464 1.086 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4oc(=O)[nH]c4c3)C2)CC1 ZINC000376711664 446668627 /nfs/dbraw/zinc/66/86/27/446668627.db2.gz NRWSFDDHJHXBFC-CYBMUJFWSA-N 2 2 344.415 1.432 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4oc(=O)[nH]c4c3)C2)CC1 ZINC000376711664 446668631 /nfs/dbraw/zinc/66/86/31/446668631.db2.gz NRWSFDDHJHXBFC-CYBMUJFWSA-N 2 2 344.415 1.432 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000423733930 446668753 /nfs/dbraw/zinc/66/87/53/446668753.db2.gz AFYNXUGHDARTIX-AWEZNQCLSA-N 2 2 335.423 1.409 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418753969 446672260 /nfs/dbraw/zinc/67/22/60/446672260.db2.gz HUJOZSYQIMOEFC-CQSZACIVSA-N 2 2 332.439 1.749 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371175523 446673468 /nfs/dbraw/zinc/67/34/68/446673468.db2.gz HCQZKTZBTNJTOT-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371175523 446673472 /nfs/dbraw/zinc/67/34/72/446673472.db2.gz HCQZKTZBTNJTOT-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434124496 446625151 /nfs/dbraw/zinc/62/51/51/446625151.db2.gz JFJUKHMVIBQWCR-DLBZAZTESA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434124496 446625156 /nfs/dbraw/zinc/62/51/56/446625156.db2.gz JFJUKHMVIBQWCR-DLBZAZTESA-N 2 2 340.512 1.613 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC1CC[NH+](C)CC1)C1CCOCC1 ZINC000376647970 446626641 /nfs/dbraw/zinc/62/66/41/446626641.db2.gz CGIUHKBMPQXFLT-MRXNPFEDSA-N 2 2 349.479 1.529 20 0 EDADLP CCCn1c(C)nnc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000371224815 446702166 /nfs/dbraw/zinc/70/21/66/446702166.db2.gz CBEQQDXQMHFCGG-UHFFFAOYSA-N 2 2 335.496 1.931 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435627375 446704123 /nfs/dbraw/zinc/70/41/23/446704123.db2.gz RBENMHRJAXWJNH-QGZVFWFLSA-N 3 2 345.491 1.194 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435627375 446704129 /nfs/dbraw/zinc/70/41/29/446704129.db2.gz RBENMHRJAXWJNH-QGZVFWFLSA-N 3 2 345.491 1.194 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435627507 446704219 /nfs/dbraw/zinc/70/42/19/446704219.db2.gz RRUBFDBZLVMFBN-MRXNPFEDSA-N 2 2 349.475 1.436 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435627507 446704223 /nfs/dbraw/zinc/70/42/23/446704223.db2.gz RRUBFDBZLVMFBN-MRXNPFEDSA-N 2 2 349.475 1.436 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)c1 ZINC000423817022 446707445 /nfs/dbraw/zinc/70/74/45/446707445.db2.gz YOXAUTMCXUPPSS-GOSISDBHSA-N 2 2 347.459 1.346 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC2)c1 ZINC000423817760 446707577 /nfs/dbraw/zinc/70/75/77/446707577.db2.gz ZLPJYTMJQRNIOO-GJZGRUSLSA-N 2 2 335.448 1.202 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423821700 446711441 /nfs/dbraw/zinc/71/14/41/446711441.db2.gz IAXFQZQDFPSCOE-SOUVJXGZSA-N 2 2 341.814 1.329 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423821700 446711446 /nfs/dbraw/zinc/71/14/46/446711446.db2.gz IAXFQZQDFPSCOE-SOUVJXGZSA-N 2 2 341.814 1.329 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000376811524 446733860 /nfs/dbraw/zinc/73/38/60/446733860.db2.gz JUOQKRRFETWWTH-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000376811524 446733867 /nfs/dbraw/zinc/73/38/67/446733867.db2.gz JUOQKRRFETWWTH-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000376811524 446733871 /nfs/dbraw/zinc/73/38/71/446733871.db2.gz JUOQKRRFETWWTH-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000376811524 446733876 /nfs/dbraw/zinc/73/38/76/446733876.db2.gz JUOQKRRFETWWTH-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000423753270 446683529 /nfs/dbraw/zinc/68/35/29/446683529.db2.gz GUPLBCIPWYRGQB-HOTGVXAUSA-N 2 2 336.505 1.874 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000423753270 446683537 /nfs/dbraw/zinc/68/35/37/446683537.db2.gz GUPLBCIPWYRGQB-HOTGVXAUSA-N 2 2 336.505 1.874 20 0 EDADLP COc1cccc(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371300165 446755843 /nfs/dbraw/zinc/75/58/43/446755843.db2.gz NKWLMXGLZCZRKR-BPQIPLTHSA-N 2 2 347.459 1.817 20 0 EDADLP COc1cccc(NC(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371300165 446755848 /nfs/dbraw/zinc/75/58/48/446755848.db2.gz NKWLMXGLZCZRKR-BPQIPLTHSA-N 2 2 347.459 1.817 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423909374 446759788 /nfs/dbraw/zinc/75/97/88/446759788.db2.gz DCWFQOMOMBVXMV-YJBOKZPZSA-N 2 2 333.863 1.814 20 0 EDADLP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423909374 446759794 /nfs/dbraw/zinc/75/97/94/446759794.db2.gz DCWFQOMOMBVXMV-YJBOKZPZSA-N 2 2 333.863 1.814 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000368292408 446764646 /nfs/dbraw/zinc/76/46/46/446764646.db2.gz VFILQELKCUYKDJ-INIZCTEOSA-N 2 2 334.464 1.805 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C(C)C)C3)ccc2[nH+]1 ZINC000454081000 446767685 /nfs/dbraw/zinc/76/76/85/446767685.db2.gz BQJXIINYKFUZFP-HNNXBMFYSA-N 2 2 343.431 1.522 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)ccc2[nH+]1 ZINC000454081000 446767691 /nfs/dbraw/zinc/76/76/91/446767691.db2.gz BQJXIINYKFUZFP-HNNXBMFYSA-N 2 2 343.431 1.522 20 0 EDADLP OC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCOC1 ZINC000411993380 446779233 /nfs/dbraw/zinc/77/92/33/446779233.db2.gz ZCNZNPYGXQDSNU-UFYCRDLUSA-N 2 2 348.487 1.655 20 0 EDADLP OC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCOC1 ZINC000411993380 446779241 /nfs/dbraw/zinc/77/92/41/446779241.db2.gz ZCNZNPYGXQDSNU-UFYCRDLUSA-N 2 2 348.487 1.655 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)NC1CC[NH+](C)CC1)C1CCOCC1 ZINC000375409236 446781856 /nfs/dbraw/zinc/78/18/56/446781856.db2.gz QXJWLGABNYHRHD-MRXNPFEDSA-N 2 2 349.479 1.764 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000423930117 446782069 /nfs/dbraw/zinc/78/20/69/446782069.db2.gz JVBZNGBJLQBWAM-BVBHFADKSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000423930117 446782073 /nfs/dbraw/zinc/78/20/73/446782073.db2.gz JVBZNGBJLQBWAM-BVBHFADKSA-N 2 2 345.487 1.905 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423933680 446785360 /nfs/dbraw/zinc/78/53/60/446785360.db2.gz SLLZOXUZUUIJDU-BZSNNMDCSA-N 2 2 333.476 1.748 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423933680 446785370 /nfs/dbraw/zinc/78/53/70/446785370.db2.gz SLLZOXUZUUIJDU-BZSNNMDCSA-N 2 2 333.476 1.748 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000368323358 446786120 /nfs/dbraw/zinc/78/61/20/446786120.db2.gz YRMJVWNPEUBSHS-OGWOLHLISA-N 2 2 342.443 1.298 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000368323358 446786126 /nfs/dbraw/zinc/78/61/26/446786126.db2.gz YRMJVWNPEUBSHS-OGWOLHLISA-N 2 2 342.443 1.298 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368323358 446786133 /nfs/dbraw/zinc/78/61/33/446786133.db2.gz YRMJVWNPEUBSHS-OGWOLHLISA-N 2 2 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C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000424069360 446838925 /nfs/dbraw/zinc/83/89/25/446838925.db2.gz ISNGHQMUSKFKGP-GPMSIDNRSA-N 2 2 345.487 1.964 20 0 EDADLP COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000375444625 446802618 /nfs/dbraw/zinc/80/26/18/446802618.db2.gz XXAQNPVXSRGESH-HNNXBMFYSA-N 2 2 347.450 1.581 20 0 EDADLP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000375444625 446802624 /nfs/dbraw/zinc/80/26/24/446802624.db2.gz XXAQNPVXSRGESH-HNNXBMFYSA-N 2 2 347.450 1.581 20 0 EDADLP CC(C)CN(C1CC[NH+](C)CC1)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000377005773 446855610 /nfs/dbraw/zinc/85/56/10/446855610.db2.gz NFPHQHZUHKTQMG-MJGOQNOKSA-N 2 2 338.540 1.749 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000419003364 446859652 /nfs/dbraw/zinc/85/96/52/446859652.db2.gz UFHFEVONYJKNLM-CQSZACIVSA-N 2 2 345.447 1.095 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000368448760 446868465 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CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420925897 446894506 /nfs/dbraw/zinc/89/45/06/446894506.db2.gz WYYFUGSKNCGTQG-LJQANCHMSA-N 2 2 345.487 1.865 20 0 EDADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420925897 446894512 /nfs/dbraw/zinc/89/45/12/446894512.db2.gz WYYFUGSKNCGTQG-LJQANCHMSA-N 2 2 345.487 1.865 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@H]21 ZINC000371508856 446902781 /nfs/dbraw/zinc/90/27/81/446902781.db2.gz MOJZCBUWARHHRJ-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@H]21 ZINC000371508856 446902788 /nfs/dbraw/zinc/90/27/88/446902788.db2.gz MOJZCBUWARHHRJ-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP CCOCC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000375627298 446936254 /nfs/dbraw/zinc/93/62/54/446936254.db2.gz XFCHKLAYUGXXJN-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375626274 446934116 /nfs/dbraw/zinc/93/41/16/446934116.db2.gz RRKCJNMDQSZWSE-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375626274 446934122 /nfs/dbraw/zinc/93/41/22/446934122.db2.gz RRKCJNMDQSZWSE-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375626274 446934126 /nfs/dbraw/zinc/93/41/26/446934126.db2.gz RRKCJNMDQSZWSE-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375626274 446934131 /nfs/dbraw/zinc/93/41/31/446934131.db2.gz RRKCJNMDQSZWSE-GOSISDBHSA-N 2 2 346.519 1.741 20 0 EDADLP Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc(C2CC2)[nH+]1 ZINC000371635018 446940757 /nfs/dbraw/zinc/94/07/57/446940757.db2.gz QUYKLQMPMHQNBI-KRWDZBQOSA-N 2 2 334.489 2.282 20 0 EDADLP CC[C@H](C(=O)NCc1c[nH+]c2n1CCCC2)[N@@H+]1CCO[C@@H](CC)C1 ZINC000377142620 446946264 /nfs/dbraw/zinc/94/62/64/446946264.db2.gz UUWQJZPJCKRUJS-JKSUJKDBSA-N 2 2 334.464 1.725 20 0 EDADLP CC[C@H](C(=O)NCc1c[nH+]c2n1CCCC2)[N@H+]1CCO[C@@H](CC)C1 ZINC000377142620 446946269 /nfs/dbraw/zinc/94/62/69/446946269.db2.gz UUWQJZPJCKRUJS-JKSUJKDBSA-N 2 2 334.464 1.725 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000368570361 446949112 /nfs/dbraw/zinc/94/91/12/446949112.db2.gz SULJWHFFASEJSC-UONOGXRCSA-N 2 2 333.436 1.501 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000368570361 446949114 /nfs/dbraw/zinc/94/91/14/446949114.db2.gz SULJWHFFASEJSC-UONOGXRCSA-N 2 2 333.436 1.501 20 0 EDADLP COc1c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)nn1C ZINC000368584427 446958733 /nfs/dbraw/zinc/95/87/33/446958733.db2.gz MVGFDCHNGJXTGU-AWEZNQCLSA-N 2 2 335.496 1.337 20 0 EDADLP COc1c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)nn1C ZINC000368584427 446958736 /nfs/dbraw/zinc/95/87/36/446958736.db2.gz MVGFDCHNGJXTGU-AWEZNQCLSA-N 2 2 335.496 1.337 20 0 EDADLP COc1c(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)nn1C ZINC000368584427 446958740 /nfs/dbraw/zinc/95/87/40/446958740.db2.gz MVGFDCHNGJXTGU-AWEZNQCLSA-N 2 2 335.496 1.337 20 0 EDADLP COc1c(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)nn1C ZINC000368584427 446958745 /nfs/dbraw/zinc/95/87/45/446958745.db2.gz MVGFDCHNGJXTGU-AWEZNQCLSA-N 2 2 335.496 1.337 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000442774918 446963649 /nfs/dbraw/zinc/96/36/49/446963649.db2.gz BCUXOMSOCHJEFU-WDEREUQCSA-N 2 2 340.353 1.850 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000442774918 446963658 /nfs/dbraw/zinc/96/36/58/446963658.db2.gz BCUXOMSOCHJEFU-WDEREUQCSA-N 2 2 340.353 1.850 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)nn1 ZINC000377287829 447041681 /nfs/dbraw/zinc/04/16/81/447041681.db2.gz GNLGCZJEGYWTMS-UHFFFAOYSA-N 2 2 329.452 1.296 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@@H+]1C[C@H](C)O ZINC000377303934 447052892 /nfs/dbraw/zinc/05/28/92/447052892.db2.gz KUZIHHYAVADHME-GJZGRUSLSA-N 2 2 349.479 1.206 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@H+]1C[C@H](C)O ZINC000377303934 447052895 /nfs/dbraw/zinc/05/28/95/447052895.db2.gz KUZIHHYAVADHME-GJZGRUSLSA-N 2 2 349.479 1.206 20 0 EDADLP CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCOCC1 ZINC000375861068 447105494 /nfs/dbraw/zinc/10/54/94/447105494.db2.gz OYWJTTOILNZHHZ-JWTNVVGKSA-N 2 2 349.519 1.963 20 0 EDADLP CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCOCC1 ZINC000375861068 447105499 /nfs/dbraw/zinc/10/54/99/447105499.db2.gz OYWJTTOILNZHHZ-JWTNVVGKSA-N 2 2 349.519 1.963 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413296898 447122943 /nfs/dbraw/zinc/12/29/43/447122943.db2.gz QYUONCWCQOCCTH-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413296898 447122947 /nfs/dbraw/zinc/12/29/47/447122947.db2.gz QYUONCWCQOCCTH-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1(C)C ZINC000444167292 447084652 /nfs/dbraw/zinc/08/46/52/447084652.db2.gz DOQHEWMHTMGYNA-HZMBPMFUSA-N 2 2 348.369 1.594 20 0 EDADLP CCc1nnc2n1C[C@H]([NH2+]C1CC[NH+](Cc3ccncc3)CC1)CC2 ZINC000375829292 447085459 /nfs/dbraw/zinc/08/54/59/447085459.db2.gz FWFYNXBWAIBAQJ-QGZVFWFLSA-N 2 2 340.475 1.805 20 0 EDADLP CCCN1C[C@H](C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1=O ZINC000421357177 447140561 /nfs/dbraw/zinc/14/05/61/447140561.db2.gz ZPAFEINAFHWVIZ-KRWDZBQOSA-N 2 2 330.476 1.894 20 0 EDADLP Cc1ncccc1OC[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000419389465 447145201 /nfs/dbraw/zinc/14/52/01/447145201.db2.gz FJDMGZHWZAZXKG-INIZCTEOSA-N 2 2 332.448 1.007 20 0 EDADLP Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000419389465 447145212 /nfs/dbraw/zinc/14/52/12/447145212.db2.gz FJDMGZHWZAZXKG-INIZCTEOSA-N 2 2 332.448 1.007 20 0 EDADLP CC[C@H](C)[NH+]1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000413313823 447133850 /nfs/dbraw/zinc/13/38/50/447133850.db2.gz IBMXXIJSMFUCLD-ARFHVFGLSA-N 2 2 333.480 1.604 20 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CC(=O)N[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000377569110 447212907 /nfs/dbraw/zinc/21/29/07/447212907.db2.gz VGPINHJCHZUZOL-VQTJNVASSA-N 2 2 345.487 1.878 20 0 EDADLP CC(=O)N[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000377569110 447212908 /nfs/dbraw/zinc/21/29/08/447212908.db2.gz VGPINHJCHZUZOL-VQTJNVASSA-N 2 2 345.487 1.878 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3CSCCS3)C2)CC1 ZINC000372724636 447247943 /nfs/dbraw/zinc/24/79/43/447247943.db2.gz FQNMIWAPKQNKOG-HIFRSBDPSA-N 2 2 343.562 1.510 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3CSCCS3)C2)CC1 ZINC000372724636 447247945 /nfs/dbraw/zinc/24/79/45/447247945.db2.gz FQNMIWAPKQNKOG-HIFRSBDPSA-N 2 2 343.562 1.510 20 0 EDADLP CC(C)CCOCC[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000369051192 447290359 /nfs/dbraw/zinc/29/03/59/447290359.db2.gz RNIDTHJCLVIPLY-ROUUACIJSA-N 2 2 327.513 1.386 20 0 EDADLP CC(C)CCOCC[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000369051192 447290370 /nfs/dbraw/zinc/29/03/70/447290370.db2.gz RNIDTHJCLVIPLY-ROUUACIJSA-N 2 2 327.513 1.386 20 0 EDADLP CC(C)CCOCC[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000369051192 447290374 /nfs/dbraw/zinc/29/03/74/447290374.db2.gz RNIDTHJCLVIPLY-ROUUACIJSA-N 2 2 327.513 1.386 20 0 EDADLP CC(C)CCOCC[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000369051192 447290379 /nfs/dbraw/zinc/29/03/79/447290379.db2.gz RNIDTHJCLVIPLY-ROUUACIJSA-N 2 2 327.513 1.386 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCNC(=O)c2ccccc2Cl)n1C ZINC000414392190 447293799 /nfs/dbraw/zinc/29/37/99/447293799.db2.gz MLIXHZJLUHKMIL-UHFFFAOYSA-N 2 2 335.839 1.659 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000415464863 447455783 /nfs/dbraw/zinc/45/57/83/447455783.db2.gz DFGMZDUEEXFHCF-UHFFFAOYSA-N 2 2 342.399 1.974 20 0 EDADLP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000380168659 447455593 /nfs/dbraw/zinc/45/55/93/447455593.db2.gz WJRGUZJSTKVJFK-HOTGVXAUSA-N 2 2 342.528 1.905 20 0 EDADLP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000380168659 447455597 /nfs/dbraw/zinc/45/55/97/447455597.db2.gz WJRGUZJSTKVJFK-HOTGVXAUSA-N 2 2 342.528 1.905 20 0 EDADLP CNc1nc(N2CCC(OCC[NH+](C)C)CC2)[nH+]c2ccccc21 ZINC000450330032 447457787 /nfs/dbraw/zinc/45/77/87/447457787.db2.gz NDVWEYBIPQAPGX-UHFFFAOYSA-N 2 2 329.448 2.219 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000458722798 447460303 /nfs/dbraw/zinc/46/03/03/447460303.db2.gz OHGRCTVJAKOVON-HUUCEWRRSA-N 2 2 337.468 1.764 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000458722798 447460308 /nfs/dbraw/zinc/46/03/08/447460308.db2.gz OHGRCTVJAKOVON-HUUCEWRRSA-N 2 2 337.468 1.764 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CCO1 ZINC000494907079 447462520 /nfs/dbraw/zinc/46/25/20/447462520.db2.gz IARNFEYYOWDJRX-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CCO1 ZINC000494907079 447462523 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1.801 20 0 EDADLP COCC[N@@H+](C)CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495377687 447498983 /nfs/dbraw/zinc/49/89/83/447498983.db2.gz SGNDVYCNTAYIEF-KRWDZBQOSA-N 2 2 329.485 1.801 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419961658 447517081 /nfs/dbraw/zinc/51/70/81/447517081.db2.gz SUUDTPOPTTXVPG-CABCVRRESA-N 2 2 349.479 1.446 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000457521875 447587285 /nfs/dbraw/zinc/58/72/85/447587285.db2.gz LWHUOMVRQZYSEQ-CQSZACIVSA-N 2 2 345.447 1.053 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000457521875 447587288 /nfs/dbraw/zinc/58/72/88/447587288.db2.gz LWHUOMVRQZYSEQ-CQSZACIVSA-N 2 2 345.447 1.053 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427128894 447550167 /nfs/dbraw/zinc/55/01/67/447550167.db2.gz REVVJLUOEXRENI-DZGCQCFKSA-N 2 2 326.400 1.989 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427128894 447550175 /nfs/dbraw/zinc/55/01/75/447550175.db2.gz REVVJLUOEXRENI-DZGCQCFKSA-N 2 2 326.400 1.989 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416870659 447700046 /nfs/dbraw/zinc/70/00/46/447700046.db2.gz WMUVRJPUNHKNJA-QAPCUYQASA-N 2 2 346.475 1.445 20 0 EDADLP COc1ccc([C@@H](NC(=O)N[C@H](C[NH3+])C2CC2)c2[nH+]ccn2C)cc1 ZINC000416909555 447704889 /nfs/dbraw/zinc/70/48/89/447704889.db2.gz QNWLTUBVDNFYMT-HZPDHXFCSA-N 2 2 343.431 1.555 20 0 EDADLP [NH3+][C@H](CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000420180609 447657904 /nfs/dbraw/zinc/65/79/04/447657904.db2.gz BUVDXAJLVVCPSU-HZPDHXFCSA-N 2 2 327.432 1.940 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000495947111 447665962 /nfs/dbraw/zinc/66/59/62/447665962.db2.gz OZZOLPWWFCILPE-YCPHGPKFSA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000495947111 447665965 /nfs/dbraw/zinc/66/59/65/447665965.db2.gz OZZOLPWWFCILPE-YCPHGPKFSA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000495947111 447665968 /nfs/dbraw/zinc/66/59/68/447665968.db2.gz OZZOLPWWFCILPE-YCPHGPKFSA-N 2 2 341.496 1.819 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000495947111 447665974 /nfs/dbraw/zinc/66/59/74/447665974.db2.gz OZZOLPWWFCILPE-YCPHGPKFSA-N 2 2 341.496 1.819 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000457905869 447667775 /nfs/dbraw/zinc/66/77/75/447667775.db2.gz VJDBYBPHSJBGGC-INIZCTEOSA-N 2 2 333.411 1.704 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000428107151 447673928 /nfs/dbraw/zinc/67/39/28/447673928.db2.gz KGBWIKMLGVDPGI-XJKSGUPXSA-N 2 2 330.436 2.452 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NC[C@H]1CC[NH2+]C1 ZINC000420230100 447678974 /nfs/dbraw/zinc/67/89/74/447678974.db2.gz OXNMPKDCZCPZRL-LBPRGKRZSA-N 2 2 329.400 1.863 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422632987 447680944 /nfs/dbraw/zinc/68/09/44/447680944.db2.gz HPNUEZIGUGPJAM-GUTXKFCHSA-N 2 2 333.432 1.717 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422632987 447680947 /nfs/dbraw/zinc/68/09/47/447680947.db2.gz HPNUEZIGUGPJAM-GUTXKFCHSA-N 2 2 333.432 1.717 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422639619 447684338 /nfs/dbraw/zinc/68/43/38/447684338.db2.gz TXMQTOKFOQQXFZ-RDBSUJKOSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422639619 447684341 /nfs/dbraw/zinc/68/43/41/447684341.db2.gz TXMQTOKFOQQXFZ-RDBSUJKOSA-N 2 2 335.448 1.948 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416809300 447689592 /nfs/dbraw/zinc/68/95/92/447689592.db2.gz AOCSTAQQTYNYTF-QGZVFWFLSA-N 2 2 348.491 1.659 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422703645 447720613 /nfs/dbraw/zinc/72/06/13/447720613.db2.gz NQHJVOCXPFEBFC-DVOMOZLQSA-N 2 2 325.478 1.728 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000422713837 447725365 /nfs/dbraw/zinc/72/53/65/447725365.db2.gz KHOXRAQUWHNUJM-FUHWJXTLSA-N 2 2 336.524 1.299 20 0 EDADLP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C2 ZINC000422811951 447757076 /nfs/dbraw/zinc/75/70/76/447757076.db2.gz VNFQJRUMNQCNEN-UXHICEINSA-N 3 2 329.488 1.791 20 0 EDADLP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C2 ZINC000422811951 447757078 /nfs/dbraw/zinc/75/70/78/447757078.db2.gz VNFQJRUMNQCNEN-UXHICEINSA-N 3 2 329.488 1.791 20 0 EDADLP c1ncn(Cc2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)n1 ZINC000422816382 447757409 /nfs/dbraw/zinc/75/74/09/447757409.db2.gz ZUWMWVKHUKFUSY-QZTJIDSGSA-N 2 2 327.432 1.183 20 0 EDADLP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1c[nH+]ccc1N ZINC000422847064 447767265 /nfs/dbraw/zinc/76/72/65/447767265.db2.gz QYTBXAHROGHWQP-INIZCTEOSA-N 3 2 340.475 1.752 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000430554392 447777363 /nfs/dbraw/zinc/77/73/63/447777363.db2.gz MXDFVWOWNPZMKD-IBGZPJMESA-N 3 2 346.475 1.174 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422944156 447777745 /nfs/dbraw/zinc/77/77/45/447777745.db2.gz ZGXIVTOZUHNFIN-OCCSQVGLSA-N 2 2 346.880 1.470 20 0 EDADLP C[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)CC(C)(C)C[NH3+] ZINC000430559742 447778372 /nfs/dbraw/zinc/77/83/72/447778372.db2.gz XSQYRKXVRMRTIM-UHFFFAOYSA-N 2 2 335.477 1.848 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)CC(C)(C)C[NH3+] ZINC000430559742 447778375 /nfs/dbraw/zinc/77/83/75/447778375.db2.gz XSQYRKXVRMRTIM-UHFFFAOYSA-N 2 2 335.477 1.848 20 0 EDADLP C[N@@H+]1CCCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000496434840 447781206 /nfs/dbraw/zinc/78/12/06/447781206.db2.gz FOTXGQCUNBSBCP-UHFFFAOYSA-N 2 2 326.485 1.177 20 0 EDADLP C[N@H+]1CCCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000496434840 447781209 /nfs/dbraw/zinc/78/12/09/447781209.db2.gz FOTXGQCUNBSBCP-UHFFFAOYSA-N 2 2 326.485 1.177 20 0 EDADLP C[C@@H]([NH3+])[C@H]1COCC[C@H]1Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000422960609 447781721 /nfs/dbraw/zinc/78/17/21/447781721.db2.gz WYWNIQGHPPQHTL-XPLWTBFPSA-N 2 2 334.464 1.859 20 0 EDADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)CCC2 ZINC000423038222 447795941 /nfs/dbraw/zinc/79/59/41/447795941.db2.gz OABNSORKRNJDGM-JFIYKMOQSA-N 2 2 334.464 1.264 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000496508970 447797645 /nfs/dbraw/zinc/79/76/45/447797645.db2.gz UZVVMRGLNWZWRU-ILXRZTDVSA-N 2 2 327.469 1.552 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000496508970 447797649 /nfs/dbraw/zinc/79/76/49/447797649.db2.gz UZVVMRGLNWZWRU-ILXRZTDVSA-N 2 2 327.469 1.552 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431420591 447803864 /nfs/dbraw/zinc/80/38/64/447803864.db2.gz TUMUUZVHIGEVSF-UHFFFAOYSA-N 2 2 347.438 1.703 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000487946947 447838703 /nfs/dbraw/zinc/83/87/03/447838703.db2.gz MEMGZLMYEKMWBU-NQYYFHDYSA-N 2 2 345.487 1.714 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000487946947 447838704 /nfs/dbraw/zinc/83/87/04/447838704.db2.gz MEMGZLMYEKMWBU-NQYYFHDYSA-N 2 2 345.487 1.714 20 0 EDADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000487946947 447838706 /nfs/dbraw/zinc/83/87/06/447838706.db2.gz MEMGZLMYEKMWBU-NQYYFHDYSA-N 2 2 345.487 1.714 20 0 EDADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000487946947 447838707 /nfs/dbraw/zinc/83/87/07/447838707.db2.gz MEMGZLMYEKMWBU-NQYYFHDYSA-N 2 2 345.487 1.714 20 0 EDADLP C[N@@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000496681461 447847175 /nfs/dbraw/zinc/84/71/75/447847175.db2.gz KSXCYCMXXFURDA-UHFFFAOYSA-N 2 2 340.512 1.565 20 0 EDADLP C[N@H+]1CCN(CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000496681461 447847178 /nfs/dbraw/zinc/84/71/78/447847178.db2.gz KSXCYCMXXFURDA-UHFFFAOYSA-N 2 2 340.512 1.565 20 0 EDADLP CC(C)(C)OC(=O)NCC1(C[NH2+][C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000496568175 447822680 /nfs/dbraw/zinc/82/26/80/447822680.db2.gz HJQXZQFZJCZPMO-HNNXBMFYSA-N 2 2 341.496 1.728 20 0 EDADLP CC(C)(C)OC(=O)NCC1(C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000496568175 447822681 /nfs/dbraw/zinc/82/26/81/447822681.db2.gz HJQXZQFZJCZPMO-HNNXBMFYSA-N 2 2 341.496 1.728 20 0 EDADLP Cc1ccc(-c2nc(CNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])co2)cc1 ZINC000575733681 447883352 /nfs/dbraw/zinc/88/33/52/447883352.db2.gz QXODXDKISWQJMF-MRXNPFEDSA-N 2 2 343.431 1.434 20 0 EDADLP CC1(C)C[NH+](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000569756750 447883836 /nfs/dbraw/zinc/88/38/36/447883836.db2.gz NHKDLZNNBDKGIQ-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC1(C)C[NH+](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000569756750 447883840 /nfs/dbraw/zinc/88/38/40/447883840.db2.gz NHKDLZNNBDKGIQ-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000530539714 447909926 /nfs/dbraw/zinc/90/99/26/447909926.db2.gz SBRYBLIFAOXHPF-OAHLLOKOSA-N 3 2 349.523 1.590 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000530539714 447909931 /nfs/dbraw/zinc/90/99/31/447909931.db2.gz SBRYBLIFAOXHPF-OAHLLOKOSA-N 3 2 349.523 1.590 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2OC(F)(F)F)[C@H](C[NH3+])C1 ZINC000570062841 447943123 /nfs/dbraw/zinc/94/31/23/447943123.db2.gz KKVXEXWLOLLUBU-SNVBAGLBSA-N 2 2 332.326 1.692 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccccc2OC(F)(F)F)[C@H](C[NH3+])C1 ZINC000570062841 447943127 /nfs/dbraw/zinc/94/31/27/447943127.db2.gz KKVXEXWLOLLUBU-SNVBAGLBSA-N 2 2 332.326 1.692 20 0 EDADLP CCCN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000570028320 447935473 /nfs/dbraw/zinc/93/54/73/447935473.db2.gz GQVZTPKYVYWKBZ-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP COCC1(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[NH2+]CC1 ZINC000576134882 447981768 /nfs/dbraw/zinc/98/17/68/447981768.db2.gz RLQKFWSBVRGAQF-CQSZACIVSA-N 2 2 335.452 1.663 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C ZINC000570264275 447972068 /nfs/dbraw/zinc/97/20/68/447972068.db2.gz DCTXRBFNUCSSMU-CVEARBPZSA-N 2 2 346.475 1.411 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccnc1OCC(F)(F)F)C1CC1 ZINC000570675264 448046891 /nfs/dbraw/zinc/04/68/91/448046891.db2.gz BVBYEXJJDSEGSK-CYBMUJFWSA-N 2 2 333.354 1.567 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccnc1OCC(F)(F)F)C1CC1 ZINC000570675264 448046892 /nfs/dbraw/zinc/04/68/92/448046892.db2.gz BVBYEXJJDSEGSK-CYBMUJFWSA-N 2 2 333.354 1.567 20 0 EDADLP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C(F)F)n1 ZINC000576277378 448017767 /nfs/dbraw/zinc/01/77/67/448017767.db2.gz LFGJWMXYQUXIIF-KBPBESRZSA-N 2 2 328.407 1.825 20 0 EDADLP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000525999564 448075666 /nfs/dbraw/zinc/07/56/66/448075666.db2.gz CXGFQZVLUHOZQO-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000525999564 448075669 /nfs/dbraw/zinc/07/56/69/448075669.db2.gz CXGFQZVLUHOZQO-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000525999564 448075672 /nfs/dbraw/zinc/07/56/72/448075672.db2.gz CXGFQZVLUHOZQO-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000525999564 448075674 /nfs/dbraw/zinc/07/56/74/448075674.db2.gz CXGFQZVLUHOZQO-KRWDZBQOSA-N 2 2 337.508 1.963 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000570910800 448083840 /nfs/dbraw/zinc/08/38/40/448083840.db2.gz FRUJCUTYSSLGSU-CZUORRHYSA-N 2 2 345.422 1.947 20 0 EDADLP CCOCC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500414848 448089090 /nfs/dbraw/zinc/08/90/90/448089090.db2.gz FPAPHFJJTAAGBD-LZLYRXPVSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000500414848 448089096 /nfs/dbraw/zinc/08/90/96/448089096.db2.gz FPAPHFJJTAAGBD-LZLYRXPVSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000500414848 448089101 /nfs/dbraw/zinc/08/91/01/448089101.db2.gz FPAPHFJJTAAGBD-LZLYRXPVSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000500414848 448089104 /nfs/dbraw/zinc/08/91/04/448089104.db2.gz FPAPHFJJTAAGBD-LZLYRXPVSA-N 2 2 338.496 1.522 20 0 EDADLP Fc1ccc([C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)c2cnn[nH]2)cc1 ZINC000576626977 448100733 /nfs/dbraw/zinc/10/07/33/448100733.db2.gz WDPGEVHAFZMWQK-RISCZKNCSA-N 2 2 325.338 1.868 20 0 EDADLP Fc1ccc([C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)c2cn[nH]n2)cc1 ZINC000576626977 448100739 /nfs/dbraw/zinc/10/07/39/448100739.db2.gz WDPGEVHAFZMWQK-RISCZKNCSA-N 2 2 325.338 1.868 20 0 EDADLP COC1(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC(C)CC1 ZINC000571277674 448125913 /nfs/dbraw/zinc/12/59/13/448125913.db2.gz PLPGFABCRORMSH-ONWVLEABSA-N 2 2 328.497 1.641 20 0 EDADLP COC1(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC(C)CC1 ZINC000571277674 448125915 /nfs/dbraw/zinc/12/59/15/448125915.db2.gz PLPGFABCRORMSH-ONWVLEABSA-N 2 2 328.497 1.641 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccc3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000571301278 448132950 /nfs/dbraw/zinc/13/29/50/448132950.db2.gz GXXYQFIQSSLKMG-INIZCTEOSA-N 2 2 327.432 1.062 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccc3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000571301278 448132956 /nfs/dbraw/zinc/13/29/56/448132956.db2.gz GXXYQFIQSSLKMG-INIZCTEOSA-N 2 2 327.432 1.062 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)/C=C\C[NH+](C)C ZINC000491908278 448149452 /nfs/dbraw/zinc/14/94/52/448149452.db2.gz URINNSSKPRKHPV-VOCYLRNQSA-N 2 2 345.487 1.854 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H](C[NH3+])C1 ZINC000514662759 448181347 /nfs/dbraw/zinc/18/13/47/448181347.db2.gz AZTAXJOLEOMBOF-FRRDWIJNSA-N 2 2 336.402 1.639 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H](C[NH3+])C1 ZINC000514662761 448181398 /nfs/dbraw/zinc/18/13/98/448181398.db2.gz AZTAXJOLEOMBOF-UPJWGTAASA-N 2 2 336.402 1.639 20 0 EDADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000557120197 448182045 /nfs/dbraw/zinc/18/20/45/448182045.db2.gz ISTOVRXREQZDAI-LSDHHAIUSA-N 2 2 348.447 1.193 20 0 EDADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000557120197 448182046 /nfs/dbraw/zinc/18/20/46/448182046.db2.gz ISTOVRXREQZDAI-LSDHHAIUSA-N 2 2 348.447 1.193 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000571747765 448197246 /nfs/dbraw/zinc/19/72/46/448197246.db2.gz SIRKXPRHYUXEGU-HUUCEWRRSA-N 2 2 334.464 1.458 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000571747765 448197252 /nfs/dbraw/zinc/19/72/52/448197252.db2.gz SIRKXPRHYUXEGU-HUUCEWRRSA-N 2 2 334.464 1.458 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)C2)CC1 ZINC000532095321 448200628 /nfs/dbraw/zinc/20/06/28/448200628.db2.gz PRRGDEIJDBOTCK-KRWDZBQOSA-N 2 2 348.495 1.083 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000571533718 448169810 /nfs/dbraw/zinc/16/98/10/448169810.db2.gz BIHAABHIUNAYSV-UHFFFAOYSA-N 2 2 332.448 1.565 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000571533718 448169815 /nfs/dbraw/zinc/16/98/15/448169815.db2.gz BIHAABHIUNAYSV-UHFFFAOYSA-N 2 2 332.448 1.565 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000515004118 448240845 /nfs/dbraw/zinc/24/08/45/448240845.db2.gz ZPNQWCDCZZUESH-ZBFHGGJFSA-N 2 2 331.464 1.869 20 0 EDADLP Cc1cccnc1/C=C\C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000492623764 448239673 /nfs/dbraw/zinc/23/96/73/448239673.db2.gz LXVFUOPBVNYQFB-FPLPWBNLSA-N 2 2 330.476 1.888 20 0 EDADLP Cc1cccnc1/C=C\C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000492623764 448239679 /nfs/dbraw/zinc/23/96/79/448239679.db2.gz LXVFUOPBVNYQFB-FPLPWBNLSA-N 2 2 330.476 1.888 20 0 EDADLP Cn1cc(-c2ncc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cn2)cn1 ZINC000527512728 448243533 /nfs/dbraw/zinc/24/35/33/448243533.db2.gz OBWBXUBEQOAVJD-RDJZCZTQSA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cn2)cn1 ZINC000527512728 448243538 /nfs/dbraw/zinc/24/35/38/448243538.db2.gz OBWBXUBEQOAVJD-RDJZCZTQSA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cn2)cn1 ZINC000527512728 448243542 /nfs/dbraw/zinc/24/35/42/448243542.db2.gz OBWBXUBEQOAVJD-RDJZCZTQSA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cn2)cn1 ZINC000527512728 448243547 /nfs/dbraw/zinc/24/35/47/448243547.db2.gz OBWBXUBEQOAVJD-RDJZCZTQSA-N 2 2 326.448 1.793 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCC(=O)NC(C)(C)C)c2cc1C ZINC000515055120 448249163 /nfs/dbraw/zinc/24/91/63/448249163.db2.gz RJIALCZTTXELLN-HNNXBMFYSA-N 2 2 346.475 1.908 20 0 EDADLP Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582534715 448265477 /nfs/dbraw/zinc/26/54/77/448265477.db2.gz UNEWFHCITHJLBU-HNNXBMFYSA-N 2 2 342.447 1.502 20 0 EDADLP Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582534715 448265483 /nfs/dbraw/zinc/26/54/83/448265483.db2.gz UNEWFHCITHJLBU-HNNXBMFYSA-N 2 2 342.447 1.502 20 0 EDADLP COC(=O)c1c(C)c(C)sc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000591284818 448306552 /nfs/dbraw/zinc/30/65/52/448306552.db2.gz SVQXJVMIPHGGTE-NSHDSACASA-N 2 2 340.449 1.258 20 0 EDADLP COC(=O)c1c(C)c(C)sc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000591284818 448306559 /nfs/dbraw/zinc/30/65/59/448306559.db2.gz SVQXJVMIPHGGTE-NSHDSACASA-N 2 2 340.449 1.258 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[NH+]1CCC1)c1ccccc1F ZINC000532787013 448313326 /nfs/dbraw/zinc/31/33/26/448313326.db2.gz DJGNAPRJDARMIN-OAHLLOKOSA-N 2 2 331.395 1.654 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@H](C[NH3+])C1 ZINC000515460950 448315505 /nfs/dbraw/zinc/31/55/05/448315505.db2.gz YFAWOWOQYQLEAD-FVQBIDKESA-N 2 2 336.867 1.870 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)[C@H](C[NH3+])C1 ZINC000515460950 448315508 /nfs/dbraw/zinc/31/55/08/448315508.db2.gz YFAWOWOQYQLEAD-FVQBIDKESA-N 2 2 336.867 1.870 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cccc(F)c2F)C[C@@H](C)O1 ZINC000572114106 448289629 /nfs/dbraw/zinc/28/96/29/448289629.db2.gz DGMQNLKZCIQLEJ-UMVBOHGHSA-N 2 2 328.403 1.567 20 0 EDADLP CC(C)(C)c1csc([C@@H]2C[N@H+](CCN3CC[NH2+]CC3)CCO2)n1 ZINC000515352158 448296587 /nfs/dbraw/zinc/29/65/87/448296587.db2.gz FSTDNIKCXPMLMX-AWEZNQCLSA-N 2 2 338.521 1.719 20 0 EDADLP CC(C)(C)c1csc([C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCO2)n1 ZINC000515352158 448296591 /nfs/dbraw/zinc/29/65/91/448296591.db2.gz FSTDNIKCXPMLMX-AWEZNQCLSA-N 2 2 338.521 1.719 20 0 EDADLP Cc1cccc(OC[C@H](C)[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000515637457 448336330 /nfs/dbraw/zinc/33/63/30/448336330.db2.gz OGCOZHVNEPPYRD-MLHJIOFPSA-N 2 2 336.476 1.822 20 0 EDADLP CCC(CC)[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000533267541 448382008 /nfs/dbraw/zinc/38/20/08/448382008.db2.gz ZEWKVNBTBZQBBL-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP CCC(CC)[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000533267541 448382012 /nfs/dbraw/zinc/38/20/12/448382012.db2.gz ZEWKVNBTBZQBBL-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CC[NH2+]C1(C)C)CC2 ZINC000577840191 448398415 /nfs/dbraw/zinc/39/84/15/448398415.db2.gz VXLSXDSUHYNMSU-QGZVFWFLSA-N 2 2 347.459 1.319 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CC[NH2+]C1(C)C)CC2 ZINC000577840191 448398420 /nfs/dbraw/zinc/39/84/20/448398420.db2.gz VXLSXDSUHYNMSU-QGZVFWFLSA-N 2 2 347.459 1.319 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000527861820 448377000 /nfs/dbraw/zinc/37/70/00/448377000.db2.gz DESSZCVVSOYMFX-GDBMZVCRSA-N 2 2 331.464 1.904 20 0 EDADLP [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3ccn4cc[nH+]c4c3)cc2C1 ZINC000577996890 448433770 /nfs/dbraw/zinc/43/37/70/448433770.db2.gz HBHJDVVVEBMGRW-CQSZACIVSA-N 2 2 336.399 1.867 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000566318815 448444891 /nfs/dbraw/zinc/44/48/91/448444891.db2.gz WRRRFXGVTZRLCN-SFHVURJKSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000566318815 448444896 /nfs/dbraw/zinc/44/48/96/448444896.db2.gz WRRRFXGVTZRLCN-SFHVURJKSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000534434456 448452517 /nfs/dbraw/zinc/45/25/17/448452517.db2.gz HIZYKDPREVICGM-LSDHHAIUSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000534434456 448452519 /nfs/dbraw/zinc/45/25/19/448452519.db2.gz HIZYKDPREVICGM-LSDHHAIUSA-N 2 2 331.464 1.936 20 0 EDADLP C[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[NH+]1CC(C)C1 ZINC000572779622 448462482 /nfs/dbraw/zinc/46/24/82/448462482.db2.gz PXTUKYGATSGDFZ-NEWSRXKRSA-N 2 2 345.487 1.326 20 0 EDADLP C[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[NH+]1CC(C)C1 ZINC000572779622 448462488 /nfs/dbraw/zinc/46/24/88/448462488.db2.gz PXTUKYGATSGDFZ-NEWSRXKRSA-N 2 2 345.487 1.326 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000516864159 448485590 /nfs/dbraw/zinc/48/55/90/448485590.db2.gz QRZKUDSPBREDCX-CQSZACIVSA-N 2 2 345.443 1.243 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000517223272 448555121 /nfs/dbraw/zinc/55/51/21/448555121.db2.gz AIUNATHXQDETGX-LBPRGKRZSA-N 2 2 346.353 1.734 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000517223272 448555124 /nfs/dbraw/zinc/55/51/24/448555124.db2.gz AIUNATHXQDETGX-LBPRGKRZSA-N 2 2 346.353 1.734 20 0 EDADLP O[C@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)C[N@H+]1CCc2ccccc2C1 ZINC000517236027 448560016 /nfs/dbraw/zinc/56/00/16/448560016.db2.gz GPKIFHLDVJJWTI-HLAWJBBLSA-N 2 2 338.451 1.654 20 0 EDADLP CC(C)C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000584586735 448579078 /nfs/dbraw/zinc/57/90/78/448579078.db2.gz VIODPKOGODQQSJ-IECFSIQFSA-N 2 2 328.497 1.640 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000517129682 448540948 /nfs/dbraw/zinc/54/09/48/448540948.db2.gz JDONABAGGUYWPJ-GOSISDBHSA-N 3 2 347.503 1.704 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000517129682 448540952 /nfs/dbraw/zinc/54/09/52/448540952.db2.gz JDONABAGGUYWPJ-GOSISDBHSA-N 3 2 347.503 1.704 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)ccn1 ZINC000578457388 448551378 /nfs/dbraw/zinc/55/13/78/448551378.db2.gz REHFPNALJRDSGG-CQSZACIVSA-N 2 2 334.464 1.684 20 0 EDADLP COc1ccccc1-n1nccc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000566747313 448552281 /nfs/dbraw/zinc/55/22/81/448552281.db2.gz FJFDNCKOQXJAHM-UHFFFAOYSA-N 2 2 344.459 1.817 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537213179 448552292 /nfs/dbraw/zinc/55/22/92/448552292.db2.gz XNNLZTNLPGJLRG-FUHWJXTLSA-N 2 2 344.459 1.270 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000537213179 448552298 /nfs/dbraw/zinc/55/22/98/448552298.db2.gz XNNLZTNLPGJLRG-FUHWJXTLSA-N 2 2 344.459 1.270 20 0 EDADLP CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000528627455 448608966 /nfs/dbraw/zinc/60/89/66/448608966.db2.gz GRNGZVCHQGHUSZ-QGZVFWFLSA-N 2 2 343.431 1.311 20 0 EDADLP CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CCO1 ZINC000528627455 448608968 /nfs/dbraw/zinc/60/89/68/448608968.db2.gz GRNGZVCHQGHUSZ-QGZVFWFLSA-N 2 2 343.431 1.311 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000573426503 448622326 /nfs/dbraw/zinc/62/23/26/448622326.db2.gz OXFIYCWGYYXOGD-RHSMWYFYSA-N 2 2 332.448 1.638 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C[C@@H]1C ZINC000578569519 448581487 /nfs/dbraw/zinc/58/14/87/448581487.db2.gz OPFPEQHZVJXMJI-ZFWWWQNUSA-N 2 2 335.452 1.233 20 0 EDADLP COCC[N@H+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C[C@@H]1C ZINC000578569519 448581493 /nfs/dbraw/zinc/58/14/93/448581493.db2.gz OPFPEQHZVJXMJI-ZFWWWQNUSA-N 2 2 335.452 1.233 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000573263167 448582855 /nfs/dbraw/zinc/58/28/55/448582855.db2.gz HSUQEZUUHNFRRD-NVXWUHKLSA-N 2 2 346.475 1.269 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)c1 ZINC000584616758 448584702 /nfs/dbraw/zinc/58/47/02/448584702.db2.gz LCDUURVZUPUMQA-AWEZNQCLSA-N 2 2 341.415 1.198 20 0 EDADLP CCOc1ccc(Cl)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000517535560 448589169 /nfs/dbraw/zinc/58/91/69/448589169.db2.gz HWLJIEIIVBNRPA-NSHDSACASA-N 2 2 326.828 1.845 20 0 EDADLP CCOc1ccc(Cl)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000517535560 448589173 /nfs/dbraw/zinc/58/91/73/448589173.db2.gz HWLJIEIIVBNRPA-NSHDSACASA-N 2 2 326.828 1.845 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000517538368 448590708 /nfs/dbraw/zinc/59/07/08/448590708.db2.gz IDWMFHGBTNHISK-BPQIPLTHSA-N 2 2 346.475 1.185 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000517538368 448590720 /nfs/dbraw/zinc/59/07/20/448590720.db2.gz IDWMFHGBTNHISK-BPQIPLTHSA-N 2 2 346.475 1.185 20 0 EDADLP C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000566960712 448591222 /nfs/dbraw/zinc/59/12/22/448591222.db2.gz UODOTEXHTQPYJC-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000584664215 448592663 /nfs/dbraw/zinc/59/26/63/448592663.db2.gz ZOXIBKFVJFGTHE-QGZVFWFLSA-N 2 2 347.507 1.839 20 0 EDADLP COc1ccc([C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000567041460 448603112 /nfs/dbraw/zinc/60/31/12/448603112.db2.gz CJYIMJAFRKGMSA-SUMDDJOVSA-N 2 2 341.459 1.993 20 0 EDADLP CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567247102 448648454 /nfs/dbraw/zinc/64/84/54/448648454.db2.gz RBCAMFUEEMCAGZ-DLBZAZTESA-N 2 2 336.455 1.677 20 0 EDADLP CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567247102 448648456 /nfs/dbraw/zinc/64/84/56/448648456.db2.gz RBCAMFUEEMCAGZ-DLBZAZTESA-N 2 2 336.455 1.677 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCOC1(C)C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000573535947 448649930 /nfs/dbraw/zinc/64/99/30/448649930.db2.gz ZCCQTZIXJHRABV-CABCVRRESA-N 2 2 332.448 1.276 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000578891468 448663429 /nfs/dbraw/zinc/66/34/29/448663429.db2.gz CAQUSCGRTCPXMQ-CVEARBPZSA-N 2 2 342.867 1.516 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000578891468 448663434 /nfs/dbraw/zinc/66/34/34/448663434.db2.gz CAQUSCGRTCPXMQ-CVEARBPZSA-N 2 2 342.867 1.516 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000573713283 448697388 /nfs/dbraw/zinc/69/73/88/448697388.db2.gz OCWIBFRRZCPKPL-MOPGFXCFSA-N 2 2 343.471 1.415 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000573713283 448697392 /nfs/dbraw/zinc/69/73/92/448697392.db2.gz OCWIBFRRZCPKPL-MOPGFXCFSA-N 2 2 343.471 1.415 20 0 EDADLP C[NH+]1CCN(C[C@H](NC(=O)C[NH+]2CC(C)(C)C2)c2ccccc2)CC1 ZINC000579023716 448699405 /nfs/dbraw/zinc/69/94/05/448699405.db2.gz XZQFVPONLVBMHF-SFHVURJKSA-N 2 2 344.503 1.433 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000578969207 448679968 /nfs/dbraw/zinc/67/99/68/448679968.db2.gz PKPMLHAMJHDXKK-MRXNPFEDSA-N 2 2 345.422 1.947 20 0 EDADLP c1ccc(-n2nnnc2CC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000519365276 448762477 /nfs/dbraw/zinc/76/24/77/448762477.db2.gz FNJWIUAONHPUDQ-SJORKVTESA-N 2 2 326.448 1.811 20 0 EDADLP c1ccc(-n2nnnc2CC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000519365276 448762480 /nfs/dbraw/zinc/76/24/80/448762480.db2.gz FNJWIUAONHPUDQ-SJORKVTESA-N 2 2 326.448 1.811 20 0 EDADLP Cc1cc(Br)ccc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567611107 448723961 /nfs/dbraw/zinc/72/39/61/448723961.db2.gz JKJNLNMNRKDAGN-AWEZNQCLSA-N 2 2 340.265 1.401 20 0 EDADLP Cc1cc(Br)ccc1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567611107 448723963 /nfs/dbraw/zinc/72/39/63/448723963.db2.gz JKJNLNMNRKDAGN-AWEZNQCLSA-N 2 2 340.265 1.401 20 0 EDADLP COc1ccc(C[C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cn1 ZINC000567638818 448727940 /nfs/dbraw/zinc/72/79/40/448727940.db2.gz IMHVWEQATBZNIT-CQSZACIVSA-N 2 2 327.432 1.938 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)OCC(=O)N2 ZINC000579197638 448734670 /nfs/dbraw/zinc/73/46/70/448734670.db2.gz IOJVLOMVNGWGTK-HIFRSBDPSA-N 2 2 333.432 1.515 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)OCC(=O)N2 ZINC000579197638 448734674 /nfs/dbraw/zinc/73/46/74/448734674.db2.gz IOJVLOMVNGWGTK-HIFRSBDPSA-N 2 2 333.432 1.515 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOc2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000573904472 448741293 /nfs/dbraw/zinc/74/12/93/448741293.db2.gz FSNJFKHWXFLRBV-ZDUSSCGKSA-N 2 2 326.828 1.003 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000573904472 448741298 /nfs/dbraw/zinc/74/12/98/448741298.db2.gz FSNJFKHWXFLRBV-ZDUSSCGKSA-N 2 2 326.828 1.003 20 0 EDADLP Cc1cc2ncn(C[C@H](O)C[NH2+][C@@H]3CCn4cc[nH+]c4C3)c2cc1C ZINC000567711900 448745402 /nfs/dbraw/zinc/74/54/02/448745402.db2.gz UWDYXWYTINHKEE-HZPDHXFCSA-N 2 2 339.443 1.815 20 0 EDADLP C[NH2+][C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cnn(C)c1 ZINC000567748907 448751054 /nfs/dbraw/zinc/75/10/54/448751054.db2.gz OFLGCDPHVKNWTJ-OAHLLOKOSA-N 2 2 333.461 1.087 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)cc[nH+]1 ZINC000544522042 448760486 /nfs/dbraw/zinc/76/04/86/448760486.db2.gz FANHSSVDJUURCV-INIZCTEOSA-N 2 2 339.443 2.079 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)cc[nH+]1 ZINC000544522042 448760501 /nfs/dbraw/zinc/76/05/01/448760501.db2.gz FANHSSVDJUURCV-INIZCTEOSA-N 2 2 339.443 2.079 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(C)c(C)[nH]3)cn2)CC1 ZINC000579496529 448809941 /nfs/dbraw/zinc/80/99/41/448809941.db2.gz JQFAZHXPBLWQPF-UHFFFAOYSA-N 2 2 328.464 1.853 20 0 EDADLP CC[NH+]1CCN(c2ccc(CNCc3[nH]c(C)c(C)[nH+]3)cn2)CC1 ZINC000579496529 448809946 /nfs/dbraw/zinc/80/99/46/448809946.db2.gz JQFAZHXPBLWQPF-UHFFFAOYSA-N 2 2 328.464 1.853 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000519422328 448769283 /nfs/dbraw/zinc/76/92/83/448769283.db2.gz RUVHYJKTTYYITL-AEFFLSMTSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000519422328 448769287 /nfs/dbraw/zinc/76/92/87/448769287.db2.gz RUVHYJKTTYYITL-AEFFLSMTSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000519422328 448769291 /nfs/dbraw/zinc/76/92/91/448769291.db2.gz RUVHYJKTTYYITL-AEFFLSMTSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000519422328 448769295 /nfs/dbraw/zinc/76/92/95/448769295.db2.gz RUVHYJKTTYYITL-AEFFLSMTSA-N 2 2 331.460 1.345 20 0 EDADLP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)no2)cc1 ZINC000519591831 448793903 /nfs/dbraw/zinc/79/39/03/448793903.db2.gz OERIPSVKNMRJCL-HNNXBMFYSA-N 2 2 343.431 1.225 20 0 EDADLP COc1ccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)no2)cc1 ZINC000519591831 448793907 /nfs/dbraw/zinc/79/39/07/448793907.db2.gz OERIPSVKNMRJCL-HNNXBMFYSA-N 2 2 343.431 1.225 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@@H](C)C1 ZINC000574119362 448794338 /nfs/dbraw/zinc/79/43/38/448794338.db2.gz LIIVKEGTOAHGFU-DZGCQCFKSA-N 2 2 343.431 1.462 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@@H](C)C1 ZINC000574119362 448794342 /nfs/dbraw/zinc/79/43/42/448794342.db2.gz LIIVKEGTOAHGFU-DZGCQCFKSA-N 2 2 343.431 1.462 20 0 EDADLP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000579467248 448800518 /nfs/dbraw/zinc/80/05/18/448800518.db2.gz AHDJKDCGRSITPL-ZFWWWQNUSA-N 2 2 328.420 1.551 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000529354081 448838251 /nfs/dbraw/zinc/83/82/51/448838251.db2.gz UDUOTAHOVZWZNR-MRXNPFEDSA-N 2 2 329.448 1.193 20 0 EDADLP Cc1cc(NCCNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000529366759 448842817 /nfs/dbraw/zinc/84/28/17/448842817.db2.gz MKCUWYJWBMKIOS-KBPBESRZSA-N 2 2 334.468 1.712 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000574411713 448869501 /nfs/dbraw/zinc/86/95/01/448869501.db2.gz PDZYCUDXEAMYFQ-MRXNPFEDSA-N 3 2 336.524 1.345 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)C[C@H](C)O1 ZINC000568620837 448896774 /nfs/dbraw/zinc/89/67/74/448896774.db2.gz QBFUKAXLDCAJNA-RKWLLSJHSA-N 2 2 340.414 1.880 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)C[C@H](C)O1 ZINC000568620837 448896780 /nfs/dbraw/zinc/89/67/80/448896780.db2.gz QBFUKAXLDCAJNA-RKWLLSJHSA-N 2 2 340.414 1.880 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000547604157 448905570 /nfs/dbraw/zinc/90/55/70/448905570.db2.gz IPUDZSYZIKZQMF-MRXNPFEDSA-N 2 2 341.415 1.051 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000547604157 448905575 /nfs/dbraw/zinc/90/55/75/448905575.db2.gz IPUDZSYZIKZQMF-MRXNPFEDSA-N 2 2 341.415 1.051 20 0 EDADLP Cc1cc(NC[C@@H]2CCCC[N@@H+]2CCO)nc(-c2ccncc2)[nH+]1 ZINC000574639248 448922856 /nfs/dbraw/zinc/92/28/56/448922856.db2.gz LUSUAWKTGWKGEP-INIZCTEOSA-N 2 2 327.432 1.528 20 0 EDADLP Cc1cc(NC[C@@H]2CCCC[N@H+]2CCO)nc(-c2ccncc2)[nH+]1 ZINC000574639248 448922858 /nfs/dbraw/zinc/92/28/58/448922858.db2.gz LUSUAWKTGWKGEP-INIZCTEOSA-N 2 2 327.432 1.528 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1-n1cncn1 ZINC000520795510 448929787 /nfs/dbraw/zinc/92/97/87/448929787.db2.gz GBFCQBDGXDAPRB-DLBZAZTESA-N 2 2 337.431 1.236 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1-n1cncn1 ZINC000520795510 448929794 /nfs/dbraw/zinc/92/97/94/448929794.db2.gz GBFCQBDGXDAPRB-DLBZAZTESA-N 2 2 337.431 1.236 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000582058228 448999939 /nfs/dbraw/zinc/99/99/39/448999939.db2.gz TYHPEDMWSYKGAZ-PWIZWCRZSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000582058228 448999945 /nfs/dbraw/zinc/99/99/45/448999945.db2.gz TYHPEDMWSYKGAZ-PWIZWCRZSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582058228 448999952 /nfs/dbraw/zinc/99/99/52/448999952.db2.gz TYHPEDMWSYKGAZ-PWIZWCRZSA-N 2 2 347.503 1.321 20 0 EDADLP C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000582058228 448999959 /nfs/dbraw/zinc/99/99/59/448999959.db2.gz TYHPEDMWSYKGAZ-PWIZWCRZSA-N 2 2 347.503 1.321 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)CCCO1 ZINC000521834659 449016784 /nfs/dbraw/zinc/01/67/84/449016784.db2.gz ISBVOUIDUOLAJC-QGZVFWFLSA-N 2 2 347.459 1.237 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)CCCO1 ZINC000521834659 449016791 /nfs/dbraw/zinc/01/67/91/449016791.db2.gz ISBVOUIDUOLAJC-QGZVFWFLSA-N 2 2 347.459 1.237 20 0 EDADLP CC1(C)CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC[NH2+]1 ZINC000521985430 449035690 /nfs/dbraw/zinc/03/56/90/449035690.db2.gz BWFZBKUENDWHLE-QGZVFWFLSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H]1CN(c2ccc(N[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)c[nH+]2)C[C@@H](C)O1 ZINC000582175620 449029350 /nfs/dbraw/zinc/02/93/50/449029350.db2.gz QKCIHQKQDGGMSR-XNWVLMOPSA-N 2 2 346.475 1.874 20 0 EDADLP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000582177957 449029385 /nfs/dbraw/zinc/02/93/85/449029385.db2.gz DCMRVJUDNLXNHE-INIZCTEOSA-N 2 2 340.431 1.165 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548656886 449072321 /nfs/dbraw/zinc/07/23/21/449072321.db2.gz WVYJBVIXRLBDOQ-GJZGRUSLSA-N 2 2 342.447 1.831 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000530220281 449085957 /nfs/dbraw/zinc/08/59/57/449085957.db2.gz NGVKMKGKSNQLGE-CZUORRHYSA-N 2 2 337.489 1.872 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000569573273 449046859 /nfs/dbraw/zinc/04/68/59/449046859.db2.gz OXIKPLXZMCOBPO-HNNXBMFYSA-N 2 2 325.416 1.729 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000569589663 449051802 /nfs/dbraw/zinc/05/18/02/449051802.db2.gz PNSDOHOCMFVKMS-IAGOWNOFSA-N 2 2 330.476 1.732 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000569589663 449051803 /nfs/dbraw/zinc/05/18/03/449051803.db2.gz PNSDOHOCMFVKMS-IAGOWNOFSA-N 2 2 330.476 1.732 20 0 EDADLP O=C(COc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2)NCC1CC1 ZINC000530244678 449092556 /nfs/dbraw/zinc/09/25/56/449092556.db2.gz MPNIPIYTMLHNCK-GOSISDBHSA-N 2 2 343.471 1.966 20 0 EDADLP CCOC(=O)c1cccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000600150466 449215715 /nfs/dbraw/zinc/21/57/15/449215715.db2.gz IFTGBZSBEVUKJK-OAHLLOKOSA-N 2 2 335.448 1.849 20 0 EDADLP CCOC(=O)c1cccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)n1 ZINC000600150466 449215716 /nfs/dbraw/zinc/21/57/16/449215716.db2.gz IFTGBZSBEVUKJK-OAHLLOKOSA-N 2 2 335.448 1.849 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C[C@@H](C)O1 ZINC000590849951 449320512 /nfs/dbraw/zinc/32/05/12/449320512.db2.gz KKYPVAQZRIPFIA-ZACQAIPSSA-N 2 2 349.479 1.729 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613996846 449411539 /nfs/dbraw/zinc/41/15/39/449411539.db2.gz VBLDSRSVCAGDQC-VWYCJHECSA-N 2 2 339.342 1.486 20 0 EDADLP CN(C)c1ncccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602195943 449424525 /nfs/dbraw/zinc/42/45/25/449424525.db2.gz PHWMEZKQYNEUBU-CQSZACIVSA-N 2 2 331.464 1.046 20 0 EDADLP CN(C)c1ncccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602195943 449424530 /nfs/dbraw/zinc/42/45/30/449424530.db2.gz PHWMEZKQYNEUBU-CQSZACIVSA-N 2 2 331.464 1.046 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000611869393 449450747 /nfs/dbraw/zinc/45/07/47/449450747.db2.gz OOYNZBUOERECGD-CQSZACIVSA-N 2 2 334.464 1.520 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000611869393 449450753 /nfs/dbraw/zinc/45/07/53/449450753.db2.gz OOYNZBUOERECGD-CQSZACIVSA-N 2 2 334.464 1.520 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000611965175 449494760 /nfs/dbraw/zinc/49/47/60/449494760.db2.gz LVNTUJULYSDLBI-GDBMZVCRSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000611965175 449494765 /nfs/dbraw/zinc/49/47/65/449494765.db2.gz LVNTUJULYSDLBI-GDBMZVCRSA-N 2 2 339.480 1.251 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC1 ZINC000617449498 449618564 /nfs/dbraw/zinc/61/85/64/449618564.db2.gz QKKFAMUAWOPOEW-SJORKVTESA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC1 ZINC000617449498 449618571 /nfs/dbraw/zinc/61/85/71/449618571.db2.gz QKKFAMUAWOPOEW-SJORKVTESA-N 2 2 329.444 1.192 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1C ZINC000602479774 449623251 /nfs/dbraw/zinc/62/32/51/449623251.db2.gz BWKZVCVKEWAOPN-WBVHZDCISA-N 2 2 348.491 1.270 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1C ZINC000602479774 449623259 /nfs/dbraw/zinc/62/32/59/449623259.db2.gz BWKZVCVKEWAOPN-WBVHZDCISA-N 2 2 348.491 1.270 20 0 EDADLP COC(=O)c1[nH]c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000602484839 449626989 /nfs/dbraw/zinc/62/69/89/449626989.db2.gz IXSFOITWLBHCLL-OWCLPIDISA-N 2 2 335.448 1.793 20 0 EDADLP COC(=O)c1[nH]c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000602484839 449626992 /nfs/dbraw/zinc/62/69/92/449626992.db2.gz IXSFOITWLBHCLL-OWCLPIDISA-N 2 2 335.448 1.793 20 0 EDADLP CN(C(=O)c1cc(C2CC2)n(C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607906960 449664714 /nfs/dbraw/zinc/66/47/14/449664714.db2.gz XYONLNDHFZLONE-MRXNPFEDSA-N 2 2 345.491 1.538 20 0 EDADLP CN(C(=O)c1cc(C2CC2)n(C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607906960 449664718 /nfs/dbraw/zinc/66/47/18/449664718.db2.gz XYONLNDHFZLONE-MRXNPFEDSA-N 2 2 345.491 1.538 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)[nH+]c12 ZINC000607928293 449671039 /nfs/dbraw/zinc/67/10/39/449671039.db2.gz GQNZEYPTLKVBQN-MRXNPFEDSA-N 2 2 342.443 1.366 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1n[nH]c2ccccc12 ZINC000617504698 449648838 /nfs/dbraw/zinc/64/88/38/449648838.db2.gz GQEMMXJSRIGMMW-AWEZNQCLSA-N 2 2 331.464 1.494 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1n[nH]c2ccccc12 ZINC000617504698 449648846 /nfs/dbraw/zinc/64/88/46/449648846.db2.gz GQEMMXJSRIGMMW-AWEZNQCLSA-N 2 2 331.464 1.494 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000617504698 449648852 /nfs/dbraw/zinc/64/88/52/449648852.db2.gz GQEMMXJSRIGMMW-AWEZNQCLSA-N 2 2 331.464 1.494 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1[nH]nc2ccccc21 ZINC000617504698 449648856 /nfs/dbraw/zinc/64/88/56/449648856.db2.gz GQEMMXJSRIGMMW-AWEZNQCLSA-N 2 2 331.464 1.494 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2cc(CCC(=O)OCC)[nH+]c(C)n2)C1 ZINC000601105716 449692234 /nfs/dbraw/zinc/69/22/34/449692234.db2.gz FCVZAHPGEVWQIM-HNNXBMFYSA-N 2 2 334.464 2.425 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2cc(CCC(=O)OCC)[nH+]c(C)n2)C1 ZINC000601105716 449692237 /nfs/dbraw/zinc/69/22/37/449692237.db2.gz FCVZAHPGEVWQIM-HNNXBMFYSA-N 2 2 334.464 2.425 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875222 449789018 /nfs/dbraw/zinc/78/90/18/449789018.db2.gz AWERRMPZYWAIRS-LZWOXQAQSA-N 2 2 344.459 1.381 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594875222 449789024 /nfs/dbraw/zinc/78/90/24/449789024.db2.gz AWERRMPZYWAIRS-LZWOXQAQSA-N 2 2 344.459 1.381 20 0 EDADLP C[NH+](C)C[C@@H](CO)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000614850915 449845347 /nfs/dbraw/zinc/84/53/47/449845347.db2.gz CKXSUCNECBMSJM-HOTGVXAUSA-N 2 2 348.491 1.532 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000608363710 449819054 /nfs/dbraw/zinc/81/90/54/449819054.db2.gz IIJVJGJFHGMOJQ-QGZVFWFLSA-N 2 2 347.507 1.812 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn(-c2ccccc2)cn1 ZINC000617763497 449821697 /nfs/dbraw/zinc/82/16/97/449821697.db2.gz SOOANUPZDMMESU-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn(-c2ccccc2)cn1 ZINC000617763497 449821701 /nfs/dbraw/zinc/82/17/01/449821701.db2.gz SOOANUPZDMMESU-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1ccc(Cl)c(F)c1 ZINC000617763533 449822566 /nfs/dbraw/zinc/82/25/66/449822566.db2.gz UDJQUKZJEZQSIL-UHFFFAOYSA-N 2 2 345.846 1.858 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1ccc(Cl)c(F)c1 ZINC000617763533 449822571 /nfs/dbraw/zinc/82/25/71/449822571.db2.gz UDJQUKZJEZQSIL-UHFFFAOYSA-N 2 2 345.846 1.858 20 0 EDADLP CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3c[nH+]c4n3CCC4)CC2)n1 ZINC000597117213 449824098 /nfs/dbraw/zinc/82/40/98/449824098.db2.gz JSXXFLNOFFSFAV-UHFFFAOYSA-N 2 2 344.419 1.504 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2ccccc2c(=O)o1 ZINC000617765058 449826820 /nfs/dbraw/zinc/82/68/20/449826820.db2.gz RVHHBELWQVIJQO-UHFFFAOYSA-N 2 2 331.416 1.406 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2ccccc2c(=O)o1 ZINC000617765058 449826825 /nfs/dbraw/zinc/82/68/25/449826825.db2.gz RVHHBELWQVIJQO-UHFFFAOYSA-N 2 2 331.416 1.406 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)cc2nccnc21 ZINC000617767219 449831834 /nfs/dbraw/zinc/83/18/34/449831834.db2.gz LACMWWJQEVXPIB-UHFFFAOYSA-N 2 2 333.411 1.382 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)cc2nccnc21 ZINC000617767219 449831836 /nfs/dbraw/zinc/83/18/36/449831836.db2.gz LACMWWJQEVXPIB-UHFFFAOYSA-N 2 2 333.411 1.382 20 0 EDADLP C[C@]1(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[NH2+]C1 ZINC000612892596 449930697 /nfs/dbraw/zinc/93/06/97/449930697.db2.gz LVFBDJAETYSLSR-SFHVURJKSA-N 2 2 327.432 1.677 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CC[N@H+](CC)C1 ZINC000617928596 449923736 /nfs/dbraw/zinc/92/37/36/449923736.db2.gz SCVLGESRBNPOAZ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617928596 449923744 /nfs/dbraw/zinc/92/37/44/449923744.db2.gz SCVLGESRBNPOAZ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+](CC)C1 ZINC000617928596 449923750 /nfs/dbraw/zinc/92/37/50/449923750.db2.gz SCVLGESRBNPOAZ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H]1CC[NH+](CC)C1 ZINC000617928596 449923755 /nfs/dbraw/zinc/92/37/55/449923755.db2.gz SCVLGESRBNPOAZ-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612964066 449960354 /nfs/dbraw/zinc/96/03/54/449960354.db2.gz OQVHQRKYZLTDCN-HOTGVXAUSA-N 2 2 339.443 1.951 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612993013 449974535 /nfs/dbraw/zinc/97/45/35/449974535.db2.gz BBIZXMAAPASLMF-OAHLLOKOSA-N 2 2 329.448 1.623 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342399 450055691 /nfs/dbraw/zinc/05/56/91/450055691.db2.gz NEEZPUBXDUQQNJ-GJZGRUSLSA-N 2 2 339.480 1.203 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342399 450055694 /nfs/dbraw/zinc/05/56/94/450055694.db2.gz NEEZPUBXDUQQNJ-GJZGRUSLSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342399 450055698 /nfs/dbraw/zinc/05/56/98/450055698.db2.gz NEEZPUBXDUQQNJ-GJZGRUSLSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)C1 ZINC000595342399 450055703 /nfs/dbraw/zinc/05/57/03/450055703.db2.gz NEEZPUBXDUQQNJ-GJZGRUSLSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000615305782 450055946 /nfs/dbraw/zinc/05/59/46/450055946.db2.gz XQHYASUNOCBVER-YOEHRIQHSA-N 2 2 332.448 1.078 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1CCOC ZINC000613159892 450057395 /nfs/dbraw/zinc/05/73/95/450057395.db2.gz CELSOFUGPKWWNZ-GJZGRUSLSA-N 2 2 334.464 1.474 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1CCOC ZINC000613159892 450057399 /nfs/dbraw/zinc/05/73/99/450057399.db2.gz CELSOFUGPKWWNZ-GJZGRUSLSA-N 2 2 334.464 1.474 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1CCOC ZINC000613159892 450057405 /nfs/dbraw/zinc/05/74/05/450057405.db2.gz CELSOFUGPKWWNZ-GJZGRUSLSA-N 2 2 334.464 1.474 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1CCOC ZINC000613159892 450057410 /nfs/dbraw/zinc/05/74/10/450057410.db2.gz CELSOFUGPKWWNZ-GJZGRUSLSA-N 2 2 334.464 1.474 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000595387086 450102066 /nfs/dbraw/zinc/10/20/66/450102066.db2.gz GIXFVXIZIXLLAV-PMPSAXMXSA-N 2 2 348.447 1.320 20 0 EDADLP COC(=O)CCN1CCC[C@H]([N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000595387086 450102072 /nfs/dbraw/zinc/10/20/72/450102072.db2.gz GIXFVXIZIXLLAV-PMPSAXMXSA-N 2 2 348.447 1.320 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615532863 450126091 /nfs/dbraw/zinc/12/60/91/450126091.db2.gz CTNLLORACOYTPU-KRWDZBQOSA-N 2 2 341.415 1.204 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC(=O)Nc1ccccc1)C2 ZINC000595504380 450193194 /nfs/dbraw/zinc/19/31/94/450193194.db2.gz HZZLLKPOWVQRHI-SFHVURJKSA-N 2 2 330.432 1.752 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC(=O)Nc1ccccc1)C2 ZINC000595504380 450193197 /nfs/dbraw/zinc/19/31/97/450193197.db2.gz HZZLLKPOWVQRHI-SFHVURJKSA-N 2 2 330.432 1.752 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC(=O)Nc1ccccc1)C2 ZINC000595504380 450193201 /nfs/dbraw/zinc/19/32/01/450193201.db2.gz HZZLLKPOWVQRHI-SFHVURJKSA-N 2 2 330.432 1.752 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)C2 ZINC000595504380 450193206 /nfs/dbraw/zinc/19/32/06/450193206.db2.gz HZZLLKPOWVQRHI-SFHVURJKSA-N 2 2 330.432 1.752 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000618553860 450242580 /nfs/dbraw/zinc/24/25/80/450242580.db2.gz VUDMKSUOWYWUTR-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000618553860 450242586 /nfs/dbraw/zinc/24/25/86/450242586.db2.gz VUDMKSUOWYWUTR-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP CC(C)(C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000619740025 450324397 /nfs/dbraw/zinc/32/43/97/450324397.db2.gz DXEMTRDXBOUCPX-LJQANCHMSA-N 2 2 347.503 1.106 20 0 EDADLP CC(C)(C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000619740025 450324402 /nfs/dbraw/zinc/32/44/02/450324402.db2.gz DXEMTRDXBOUCPX-LJQANCHMSA-N 2 2 347.503 1.106 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccccc1)[C@@]1(CO)CCOC1)C1CC1 ZINC000625389968 450328426 /nfs/dbraw/zinc/32/84/26/450328426.db2.gz MURYFSSAVOVDLH-RTBURBONSA-N 2 2 334.460 1.095 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccccc1)[C@@]1(CO)CCOC1)C1CC1 ZINC000625389968 450328430 /nfs/dbraw/zinc/32/84/30/450328430.db2.gz MURYFSSAVOVDLH-RTBURBONSA-N 2 2 334.460 1.095 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccccc1)[C@@]1(CO)CCOC1)C1CC1 ZINC000625389968 450328432 /nfs/dbraw/zinc/32/84/32/450328432.db2.gz MURYFSSAVOVDLH-RTBURBONSA-N 2 2 334.460 1.095 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@]1(CO)CCOC1)C1CC1 ZINC000625389968 450328435 /nfs/dbraw/zinc/32/84/35/450328435.db2.gz MURYFSSAVOVDLH-RTBURBONSA-N 2 2 334.460 1.095 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619883485 450352625 /nfs/dbraw/zinc/35/26/25/450352625.db2.gz KQERSVIXNPCSEV-HNNXBMFYSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)C2 ZINC000619885185 450353753 /nfs/dbraw/zinc/35/37/53/450353753.db2.gz OWIMJWYWZRVKDB-KRWDZBQOSA-N 2 2 346.475 1.325 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623492608 450530810 /nfs/dbraw/zinc/53/08/10/450530810.db2.gz CQYZOHJPVGFTSK-AWEZNQCLSA-N 2 2 336.329 1.923 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623492608 450530813 /nfs/dbraw/zinc/53/08/13/450530813.db2.gz CQYZOHJPVGFTSK-AWEZNQCLSA-N 2 2 336.329 1.923 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620907132 450558469 /nfs/dbraw/zinc/55/84/69/450558469.db2.gz FDYNGZMJYCYLOH-ARFHVFGLSA-N 2 2 346.475 1.625 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142400 450582167 /nfs/dbraw/zinc/58/21/67/450582167.db2.gz GZFRSISHEVIDSL-UHFFFAOYSA-N 2 2 330.388 1.533 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142400 450582170 /nfs/dbraw/zinc/58/21/70/450582170.db2.gz GZFRSISHEVIDSL-UHFFFAOYSA-N 2 2 330.388 1.533 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)[NH+](C)C ZINC000635132193 450677427 /nfs/dbraw/zinc/67/74/27/450677427.db2.gz GSZRYMNBIAYDLF-CQSZACIVSA-N 2 2 333.432 1.052 20 0 EDADLP C[C@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C1CC[NH+](C)CC1 ZINC000623969552 450655399 /nfs/dbraw/zinc/65/53/99/450655399.db2.gz LAZUFIZZPRUWTM-AWEZNQCLSA-N 2 2 333.480 1.970 20 0 EDADLP C[C@H](Nc1cc(N2CCC(C)(O)CC2)nc[nH+]1)C1CC[NH+](C)CC1 ZINC000623969552 450655401 /nfs/dbraw/zinc/65/54/01/450655401.db2.gz LAZUFIZZPRUWTM-AWEZNQCLSA-N 2 2 333.480 1.970 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000633070252 450657830 /nfs/dbraw/zinc/65/78/30/450657830.db2.gz VZPUQLGTUDARQC-JKSUJKDBSA-N 2 2 326.400 1.358 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000633070252 450657835 /nfs/dbraw/zinc/65/78/35/450657835.db2.gz VZPUQLGTUDARQC-JKSUJKDBSA-N 2 2 326.400 1.358 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)n1cc[nH+]c1 ZINC000635116526 450662308 /nfs/dbraw/zinc/66/23/08/450662308.db2.gz SUVPBHSSWSOMRF-SJORKVTESA-N 2 2 334.464 1.794 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635125312 450670822 /nfs/dbraw/zinc/67/08/22/450670822.db2.gz MNRPNSBFHWBZMW-IAGOWNOFSA-N 2 2 340.427 1.662 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631707522 450724421 /nfs/dbraw/zinc/72/44/21/450724421.db2.gz VTUNDOILENHQOR-GOSISDBHSA-N 2 2 344.459 1.888 20 0 EDADLP [NH3+]C1(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CCOCC1 ZINC000629524519 450724909 /nfs/dbraw/zinc/72/49/09/450724909.db2.gz NSEZUHATCAWNSO-CYBMUJFWSA-N 2 2 328.409 1.142 20 0 EDADLP O[C@H](C[NH2+]Cc1cccnc1OCC(F)(F)F)C[NH+]1CCCC1 ZINC000629554859 450732903 /nfs/dbraw/zinc/73/29/03/450732903.db2.gz ULBRKCWGIBDMKN-CYBMUJFWSA-N 2 2 333.354 1.569 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(O[C@@H]2CCOC2)c1 ZINC000629566373 450738557 /nfs/dbraw/zinc/73/85/57/450738557.db2.gz JMIVZPFVPKPLLT-ZWKOTPCHSA-N 2 2 334.460 1.709 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000629570552 450742991 /nfs/dbraw/zinc/74/29/91/450742991.db2.gz DIDNLVWFVOTETJ-UHFFFAOYSA-N 2 2 334.376 1.133 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000629570552 450742997 /nfs/dbraw/zinc/74/29/97/450742997.db2.gz DIDNLVWFVOTETJ-UHFFFAOYSA-N 2 2 334.376 1.133 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)COc1ccc2c(c1)OCO2 ZINC000629600762 450758040 /nfs/dbraw/zinc/75/80/40/450758040.db2.gz DDFLVHPTAVKYRU-CVEARBPZSA-N 2 2 348.443 1.762 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)COc1ccc2c(c1)OCO2 ZINC000629600762 450758044 /nfs/dbraw/zinc/75/80/44/450758044.db2.gz DDFLVHPTAVKYRU-CVEARBPZSA-N 2 2 348.443 1.762 20 0 EDADLP CN(C(=O)NCC[C@@H]1CC1(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621548678 450767941 /nfs/dbraw/zinc/76/79/41/450767941.db2.gz BSGIDIUNEGTDMN-UKRRQHHQSA-N 2 2 344.450 1.842 20 0 EDADLP CN(C(=O)NCC[C@@H]1CC1(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621548678 450767944 /nfs/dbraw/zinc/76/79/44/450767944.db2.gz BSGIDIUNEGTDMN-UKRRQHHQSA-N 2 2 344.450 1.842 20 0 EDADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000621690731 450834788 /nfs/dbraw/zinc/83/47/88/450834788.db2.gz XKSPTSQLUQYRNY-MJGOQNOKSA-N 2 2 329.444 1.472 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631868638 450836660 /nfs/dbraw/zinc/83/66/60/450836660.db2.gz LRBQTODISHHTHZ-XLIONFOSSA-N 2 2 345.487 1.864 20 0 EDADLP O[C@H]1CC[N@@H+](C2CCN(c3nc4ccccc4n4c[nH+]cc34)CC2)C1 ZINC000624410314 450838853 /nfs/dbraw/zinc/83/88/53/450838853.db2.gz OUEKWSJYHAIYOI-HNNXBMFYSA-N 2 2 337.427 1.918 20 0 EDADLP O[C@H]1CC[N@H+](C2CCN(c3nc4ccccc4n4c[nH+]cc34)CC2)C1 ZINC000624410314 450838857 /nfs/dbraw/zinc/83/88/57/450838857.db2.gz OUEKWSJYHAIYOI-HNNXBMFYSA-N 2 2 337.427 1.918 20 0 EDADLP CS(=O)(=O)N(CC[N@@H+]1CCCCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000631835236 450804233 /nfs/dbraw/zinc/80/42/33/450804233.db2.gz PMOAKHBWBOQPRQ-KRWDZBQOSA-N 2 2 339.505 1.652 20 0 EDADLP CS(=O)(=O)N(CC[N@H+]1CCCCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000631835236 450804239 /nfs/dbraw/zinc/80/42/39/450804239.db2.gz PMOAKHBWBOQPRQ-KRWDZBQOSA-N 2 2 339.505 1.652 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834522 450804366 /nfs/dbraw/zinc/80/43/66/450804366.db2.gz ZCSYYNDOMWGTMS-MSOLQXFVSA-N 2 2 344.503 1.927 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834522 450804369 /nfs/dbraw/zinc/80/43/69/450804369.db2.gz ZCSYYNDOMWGTMS-MSOLQXFVSA-N 2 2 344.503 1.927 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887024 450849292 /nfs/dbraw/zinc/84/92/92/450849292.db2.gz LEZUBJHWKFFCCU-MSOLQXFVSA-N 2 2 345.487 1.872 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887024 450849295 /nfs/dbraw/zinc/84/92/95/450849295.db2.gz LEZUBJHWKFFCCU-MSOLQXFVSA-N 2 2 345.487 1.872 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCCOc1ccccc1F ZINC000631887066 450849407 /nfs/dbraw/zinc/84/94/07/450849407.db2.gz LUNVWTUCXHRAGT-RDJZCZTQSA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCCOc1ccccc1F ZINC000631887066 450849408 /nfs/dbraw/zinc/84/94/08/450849408.db2.gz LUNVWTUCXHRAGT-RDJZCZTQSA-N 2 2 349.450 1.785 20 0 EDADLP COCC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000621866520 450908245 /nfs/dbraw/zinc/90/82/45/450908245.db2.gz ZVNLVLKTJQEOST-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP COCC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000621866520 450908250 /nfs/dbraw/zinc/90/82/50/450908250.db2.gz ZVNLVLKTJQEOST-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000635379235 450890973 /nfs/dbraw/zinc/89/09/73/450890973.db2.gz CIAFXAZUQNBPHE-LJQANCHMSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000635379235 450890979 /nfs/dbraw/zinc/89/09/79/450890979.db2.gz CIAFXAZUQNBPHE-LJQANCHMSA-N 2 2 343.471 1.824 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)CC1 ZINC000631935003 450893307 /nfs/dbraw/zinc/89/33/07/450893307.db2.gz BLVQCDWJKNBAIX-HNNXBMFYSA-N 2 2 341.452 1.196 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)o1 ZINC000624674813 450947679 /nfs/dbraw/zinc/94/76/79/450947679.db2.gz KWHASGFZUWFVRO-UHFFFAOYSA-N 2 2 337.464 1.962 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)o1 ZINC000624674813 450947682 /nfs/dbraw/zinc/94/76/82/450947682.db2.gz KWHASGFZUWFVRO-UHFFFAOYSA-N 2 2 337.464 1.962 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000635455123 450955436 /nfs/dbraw/zinc/95/54/36/450955436.db2.gz UJRLJTCXFUGGKW-LLVKDONJSA-N 2 2 344.341 1.773 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000635455830 450956582 /nfs/dbraw/zinc/95/65/82/450956582.db2.gz HIKAIEYSHFWEPF-KRWDZBQOSA-N 2 2 328.416 1.591 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000635455830 450956584 /nfs/dbraw/zinc/95/65/84/450956584.db2.gz HIKAIEYSHFWEPF-KRWDZBQOSA-N 2 2 328.416 1.591 20 0 EDADLP C[C@H](C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1)[NH+](C)C ZINC000635502232 450996686 /nfs/dbraw/zinc/99/66/86/450996686.db2.gz YFQJQFRFWJXGOB-MRXNPFEDSA-N 2 2 334.464 1.083 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCCOCCC[NH3+])c1c(F)cccc1F ZINC000626980717 451049733 /nfs/dbraw/zinc/04/97/33/451049733.db2.gz VGHLPTCGARAIPP-AWEZNQCLSA-N 2 2 344.406 1.232 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CC23CC[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC000627119289 451134833 /nfs/dbraw/zinc/13/48/33/451134833.db2.gz MOATZYAICGVHSH-AWEZNQCLSA-N 2 2 346.479 1.762 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000627179567 451168246 /nfs/dbraw/zinc/16/82/46/451168246.db2.gz WTULYWHCLYVXGV-LSDHHAIUSA-N 2 2 346.479 1.714 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[NH2+]C[C@@H]2C(C)C)nc(C(C)C)[nH+]1 ZINC000627178850 451168866 /nfs/dbraw/zinc/16/88/66/451168866.db2.gz AAHFRMCCGYVCFI-OAHLLOKOSA-N 2 2 348.495 1.960 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000630419179 451178139 /nfs/dbraw/zinc/17/81/39/451178139.db2.gz PSEYRCKGIAHCJT-WMZOPIPTSA-N 2 2 341.459 1.950 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000630419179 451178143 /nfs/dbraw/zinc/17/81/43/451178143.db2.gz PSEYRCKGIAHCJT-WMZOPIPTSA-N 2 2 341.459 1.950 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)cn2)CC1 ZINC000628201826 451179131 /nfs/dbraw/zinc/17/91/31/451179131.db2.gz XEAUUCYBSCGHTK-UHFFFAOYSA-N 2 2 327.432 1.989 20 0 EDADLP Cc1ncc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)o1 ZINC000628209646 451183420 /nfs/dbraw/zinc/18/34/20/451183420.db2.gz MVTALHITTUKUPO-UHFFFAOYSA-N 2 2 331.416 1.984 20 0 EDADLP C[C@H]1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[NH2+]1 ZINC000627203140 451185207 /nfs/dbraw/zinc/18/52/07/451185207.db2.gz VHIXSKBWSQZZKO-SZNINPNASA-N 3 2 349.523 1.079 20 0 EDADLP C[C@H]1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[NH2+]1 ZINC000627203140 451185211 /nfs/dbraw/zinc/18/52/11/451185211.db2.gz VHIXSKBWSQZZKO-SZNINPNASA-N 3 2 349.523 1.079 20 0 EDADLP Cc1ccc([C@@H](C)C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000628233844 451189271 /nfs/dbraw/zinc/18/92/71/451189271.db2.gz YFZUOPUBKGHKQI-HKUYNNGSSA-N 2 2 345.487 1.621 20 0 EDADLP C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000635713105 451191054 /nfs/dbraw/zinc/19/10/54/451191054.db2.gz YFTULAQSOZQORC-QJPTWQEYSA-N 2 2 334.342 1.212 20 0 EDADLP C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000635713105 451191068 /nfs/dbraw/zinc/19/10/68/451191068.db2.gz YFTULAQSOZQORC-QJPTWQEYSA-N 2 2 334.342 1.212 20 0 EDADLP C[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)n1cccn1 ZINC000634193766 451230124 /nfs/dbraw/zinc/23/01/24/451230124.db2.gz ILAOISPYDDZWLS-AWEZNQCLSA-N 2 2 328.420 1.620 20 0 EDADLP C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1ccncc1 ZINC000634195224 451231824 /nfs/dbraw/zinc/23/18/24/451231824.db2.gz WSKONXXWMGMRLG-AWEZNQCLSA-N 2 2 325.416 1.971 20 0 EDADLP C[NH+]1CCC(CCO)(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635775784 451233205 /nfs/dbraw/zinc/23/32/05/451233205.db2.gz YVIBNIMVTHIZDE-GFCCVEGCSA-N 2 2 348.369 1.340 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638097156 451261176 /nfs/dbraw/zinc/26/11/76/451261176.db2.gz BDOCFCOKXMBBRZ-IBGZPJMESA-N 2 2 347.459 1.095 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCn1cc(C(=O)c2ccc(F)cc2)nn1 ZINC000630611709 451275921 /nfs/dbraw/zinc/27/59/21/451275921.db2.gz JGZJEGIDHGIDSQ-UHFFFAOYSA-N 2 2 333.411 1.532 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(C(=O)c2ccc(F)cc2)nn1 ZINC000630611709 451275923 /nfs/dbraw/zinc/27/59/23/451275923.db2.gz JGZJEGIDHGIDSQ-UHFFFAOYSA-N 2 2 333.411 1.532 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638111278 451279349 /nfs/dbraw/zinc/27/93/49/451279349.db2.gz NEKNDQBOJMRELN-IBGZPJMESA-N 2 2 342.443 1.645 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638111452 451279581 /nfs/dbraw/zinc/27/95/81/451279581.db2.gz DZLHZLYWPFNRNF-DGCLKSJQSA-N 2 2 331.507 1.558 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638111452 451279582 /nfs/dbraw/zinc/27/95/82/451279582.db2.gz DZLHZLYWPFNRNF-DGCLKSJQSA-N 2 2 331.507 1.558 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638111452 451279584 /nfs/dbraw/zinc/27/95/84/451279584.db2.gz DZLHZLYWPFNRNF-DGCLKSJQSA-N 2 2 331.507 1.558 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638111452 451279586 /nfs/dbraw/zinc/27/95/86/451279586.db2.gz DZLHZLYWPFNRNF-DGCLKSJQSA-N 2 2 331.507 1.558 20 0 EDADLP CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195522 451231974 /nfs/dbraw/zinc/23/19/74/451231974.db2.gz WXDPDDFECFELKG-MRXNPFEDSA-N 2 2 345.447 1.173 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000638135307 451308543 /nfs/dbraw/zinc/30/85/43/451308543.db2.gz SMZZINYWEUUKTJ-UHFFFAOYSA-N 2 2 343.431 1.852 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc3c(cn2)OCCO3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638137833 451312792 /nfs/dbraw/zinc/31/27/92/451312792.db2.gz OZLPMLURRUGLCI-NVXWUHKLSA-N 2 2 346.475 1.311 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc3c(cn2)OCCO3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638137833 451312796 /nfs/dbraw/zinc/31/27/96/451312796.db2.gz OZLPMLURRUGLCI-NVXWUHKLSA-N 2 2 346.475 1.311 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC000635913706 451357052 /nfs/dbraw/zinc/35/70/52/451357052.db2.gz ATUNZEVTNCIHIV-OAHLLOKOSA-N 2 2 346.475 1.033 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1)CC(C)(C)C ZINC000635913761 451357925 /nfs/dbraw/zinc/35/79/25/451357925.db2.gz CRPGBCKKQMOQOK-AWEZNQCLSA-N 2 2 337.468 1.376 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](Cc2ncon2)C1)CC(C)(C)C ZINC000635913761 451357931 /nfs/dbraw/zinc/35/79/31/451357931.db2.gz CRPGBCKKQMOQOK-AWEZNQCLSA-N 2 2 337.468 1.376 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)CC(C)(C)C ZINC000635913761 451357935 /nfs/dbraw/zinc/35/79/35/451357935.db2.gz CRPGBCKKQMOQOK-AWEZNQCLSA-N 2 2 337.468 1.376 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)CC(C)(C)C ZINC000635913761 451357940 /nfs/dbraw/zinc/35/79/40/451357940.db2.gz CRPGBCKKQMOQOK-AWEZNQCLSA-N 2 2 337.468 1.376 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C)n1cc[nH+]c1 ZINC000638223704 451366057 /nfs/dbraw/zinc/36/60/57/451366057.db2.gz YTFXJZKOIZOTAT-HUUCEWRRSA-N 2 2 330.436 1.377 20 0 EDADLP CC1(C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000640517029 451368187 /nfs/dbraw/zinc/36/81/87/451368187.db2.gz XMGXQUDTIVGKLB-ZNMIVQPWSA-N 2 2 332.448 1.061 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638271842 451390447 /nfs/dbraw/zinc/39/04/47/451390447.db2.gz DMZFJIDNIVLTHE-GOSISDBHSA-N 2 2 334.508 1.492 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000638181686 451343214 /nfs/dbraw/zinc/34/32/14/451343214.db2.gz IRFJMCSXIQDMBX-MJGOQNOKSA-N 2 2 334.460 1.600 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000638181686 451343222 /nfs/dbraw/zinc/34/32/22/451343222.db2.gz IRFJMCSXIQDMBX-MJGOQNOKSA-N 2 2 334.460 1.600 20 0 EDADLP CCn1ncnc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000638273325 451391861 /nfs/dbraw/zinc/39/18/61/451391861.db2.gz HGAQNQHPWDJQMD-QGZVFWFLSA-N 2 2 328.464 1.376 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000638274850 451393691 /nfs/dbraw/zinc/39/36/91/451393691.db2.gz HSJUPTWQKPHUCX-DLBZAZTESA-N 2 2 341.459 1.923 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000638274850 451393695 /nfs/dbraw/zinc/39/36/95/451393695.db2.gz HSJUPTWQKPHUCX-DLBZAZTESA-N 2 2 341.459 1.923 20 0 EDADLP C[C@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)CN1CC[NH+](C)CC1 ZINC000640563150 451408453 /nfs/dbraw/zinc/40/84/53/451408453.db2.gz QHNIKCFTKMRTDB-OAHLLOKOSA-N 2 2 348.495 1.148 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000638292919 451409501 /nfs/dbraw/zinc/40/95/01/451409501.db2.gz ZCICVLXHFJGUGF-QGZVFWFLSA-N 2 2 349.475 1.512 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638305599 451420206 /nfs/dbraw/zinc/42/02/06/451420206.db2.gz CGADEVDWFMJXEW-GOSISDBHSA-N 2 2 336.480 1.843 20 0 EDADLP C[C@](O)(C[C@@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000634642821 451436109 /nfs/dbraw/zinc/43/61/09/451436109.db2.gz QYISBLIIUSOAOU-SJORKVTESA-N 2 2 342.549 1.850 20 0 EDADLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)CC2(O)CCOCC2)[NH+](C)C)cc1 ZINC000634701687 451475562 /nfs/dbraw/zinc/47/55/62/451475562.db2.gz UBHZAOFWJMJSMQ-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634716202 451497278 /nfs/dbraw/zinc/49/72/78/451497278.db2.gz QFHLBPSTVZOTKG-IRXDYDNUSA-N 2 2 328.497 1.379 20 0 EDADLP OCCCN1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634720265 451499615 /nfs/dbraw/zinc/49/96/15/451499615.db2.gz HPQJDAYCJZWOSG-PMACEKPBSA-N 2 2 347.503 1.060 20 0 EDADLP OCCCN1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634720265 451499621 /nfs/dbraw/zinc/49/96/21/451499621.db2.gz HPQJDAYCJZWOSG-PMACEKPBSA-N 2 2 347.503 1.060 20 0 EDADLP OC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721400 451502130 /nfs/dbraw/zinc/50/21/30/451502130.db2.gz YEUCSXFGUUBDMJ-UXHICEINSA-N 2 2 326.440 1.947 20 0 EDADLP OC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721400 451502135 /nfs/dbraw/zinc/50/21/35/451502135.db2.gz YEUCSXFGUUBDMJ-UXHICEINSA-N 2 2 326.440 1.947 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000638514526 451553567 /nfs/dbraw/zinc/55/35/67/451553567.db2.gz UFYCYTOYONLQLI-MOPGFXCFSA-N 3 2 346.519 1.634 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000638514526 451553570 /nfs/dbraw/zinc/55/35/70/451553570.db2.gz UFYCYTOYONLQLI-MOPGFXCFSA-N 3 2 346.519 1.634 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC4(CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000634810429 451565158 /nfs/dbraw/zinc/56/51/58/451565158.db2.gz XGSUZZOOYSFMHI-LSDHHAIUSA-N 2 2 331.464 1.264 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC4(CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000634810429 451565164 /nfs/dbraw/zinc/56/51/64/451565164.db2.gz XGSUZZOOYSFMHI-LSDHHAIUSA-N 2 2 331.464 1.264 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[C@H]1C(F)(F)F ZINC000638548518 451572439 /nfs/dbraw/zinc/57/24/39/451572439.db2.gz CCBFJKQXMOIOOI-DGCLKSJQSA-N 2 2 340.349 1.863 20 0 EDADLP Cc1cc(NCCNC(=O)C[C@@H]([NH3+])c2ccccc2)nc(C(C)C)[nH+]1 ZINC000638582677 451589678 /nfs/dbraw/zinc/58/96/78/451589678.db2.gz BKFMDXSEKFRKJV-MRXNPFEDSA-N 2 2 341.459 2.527 20 0 EDADLP CO[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000631143895 451607178 /nfs/dbraw/zinc/60/71/78/451607178.db2.gz IHQUOHFWJHEPSQ-LJQANCHMSA-N 2 2 334.460 1.912 20 0 EDADLP O=C1CC[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CCN1 ZINC000634956973 451623695 /nfs/dbraw/zinc/62/36/95/451623695.db2.gz ZIZQFIZUAZUMNV-KRWDZBQOSA-N 2 2 347.459 1.156 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638772301 451685797 /nfs/dbraw/zinc/68/57/97/451685797.db2.gz ODCAHNLURUNWIR-AWEZNQCLSA-N 2 2 334.386 1.640 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000637048061 451696483 /nfs/dbraw/zinc/69/64/83/451696483.db2.gz KLSDLKKQKKEMPF-KRWDZBQOSA-N 2 2 333.476 1.734 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000637048061 451696489 /nfs/dbraw/zinc/69/64/89/451696489.db2.gz KLSDLKKQKKEMPF-KRWDZBQOSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000637048061 451696492 /nfs/dbraw/zinc/69/64/92/451696492.db2.gz KLSDLKKQKKEMPF-KRWDZBQOSA-N 2 2 333.476 1.734 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000637048061 451696498 /nfs/dbraw/zinc/69/64/98/451696498.db2.gz KLSDLKKQKKEMPF-KRWDZBQOSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@H]([NH3+])c1cn(CC(=O)N2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000640953135 451702849 /nfs/dbraw/zinc/70/28/49/451702849.db2.gz HSRFBORIOFAJOJ-AWEZNQCLSA-N 2 2 348.476 1.094 20 0 EDADLP Cc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000631343898 451703519 /nfs/dbraw/zinc/70/35/19/451703519.db2.gz KAZRBRFHRDOGNI-SFHVURJKSA-N 2 2 327.432 1.740 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(F)F ZINC000641017172 451730427 /nfs/dbraw/zinc/73/04/27/451730427.db2.gz RXPRKOUJRQFREJ-CYBMUJFWSA-N 2 2 332.439 1.890 20 0 EDADLP Cc1cccc2[nH+]c(Cn3cc(CC[NH+]4CCC([NH3+])CC4)nn3)cn21 ZINC000641030324 451735255 /nfs/dbraw/zinc/73/52/55/451735255.db2.gz RGDDRHVEVCGZJQ-UHFFFAOYSA-N 3 2 339.447 1.248 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2nc3ccccc3o2)C1=O ZINC000638979577 451744738 /nfs/dbraw/zinc/74/47/38/451744738.db2.gz FSZYXUYCYJTKOK-AWEZNQCLSA-N 2 2 339.399 1.842 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1[NH2+]CCc2ccccc21 ZINC000638986768 451747529 /nfs/dbraw/zinc/74/75/29/451747529.db2.gz ARYXBPAABZJUBJ-SFHVURJKSA-N 3 2 337.427 1.317 20 0 EDADLP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005426 451751663 /nfs/dbraw/zinc/75/16/63/451751663.db2.gz WYHJXXUHZMTJQY-SFHVURJKSA-N 2 2 345.491 1.461 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005707 451751698 /nfs/dbraw/zinc/75/16/98/451751698.db2.gz ZTMVGUNNVLLULT-GOSISDBHSA-N 2 2 339.443 1.172 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000639039443 451756164 /nfs/dbraw/zinc/75/61/64/451756164.db2.gz RHCGCSBIBLWRMZ-KRWDZBQOSA-N 2 2 346.475 1.402 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3cccn(C(F)F)c3=O)CC2)cc[nH+]1 ZINC000639062569 451760512 /nfs/dbraw/zinc/76/05/12/451760512.db2.gz QZWXBRYYDWRVKF-UHFFFAOYSA-N 2 2 335.358 1.664 20 0 EDADLP C[NH2+]C(C)(C)c1cn(C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641214572 451784666 /nfs/dbraw/zinc/78/46/66/451784666.db2.gz WHWGMULKQPFTPU-AWEZNQCLSA-N 2 2 342.447 1.760 20 0 EDADLP O=C(NCCC1CC[NH2+]CC1)c1ccccc1C[NH+]1CCOCC1 ZINC000653272186 451807585 /nfs/dbraw/zinc/80/75/85/451807585.db2.gz BXYTWOHOXKYCHY-UHFFFAOYSA-N 2 2 331.460 1.638 20 0 EDADLP COCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644505407 451821322 /nfs/dbraw/zinc/82/13/22/451821322.db2.gz KXPFUDGBNDAZLB-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP COCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644505407 451821327 /nfs/dbraw/zinc/82/13/27/451821327.db2.gz KXPFUDGBNDAZLB-INIZCTEOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H]1C[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H](C)C1O ZINC000639314416 451821792 /nfs/dbraw/zinc/82/17/92/451821792.db2.gz KCCCXGXCSXWITQ-IRXDYDNUSA-N 2 2 348.487 1.846 20 0 EDADLP C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000639322682 451826354 /nfs/dbraw/zinc/82/63/54/451826354.db2.gz VVTQYNWOEIASJB-UYAOXDASSA-N 2 2 346.471 1.866 20 0 EDADLP C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000639322682 451826360 /nfs/dbraw/zinc/82/63/60/451826360.db2.gz VVTQYNWOEIASJB-UYAOXDASSA-N 2 2 346.471 1.866 20 0 EDADLP CN(C(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637442153 451858327 /nfs/dbraw/zinc/85/83/27/451858327.db2.gz GBTRXKQOHQSHAD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637442153 451858333 /nfs/dbraw/zinc/85/83/33/451858333.db2.gz GBTRXKQOHQSHAD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000637442153 451858340 /nfs/dbraw/zinc/85/83/40/451858340.db2.gz GBTRXKQOHQSHAD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000637442153 451858348 /nfs/dbraw/zinc/85/83/48/451858348.db2.gz GBTRXKQOHQSHAD-ROUUACIJSA-N 2 2 346.475 1.233 20 0 EDADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639472492 451885473 /nfs/dbraw/zinc/88/54/73/451885473.db2.gz KIFLMUZOOYCQPB-QUCCMNQESA-N 2 2 345.487 1.614 20 0 EDADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639472492 451885477 /nfs/dbraw/zinc/88/54/77/451885477.db2.gz KIFLMUZOOYCQPB-QUCCMNQESA-N 2 2 345.487 1.614 20 0 EDADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639472492 451885479 /nfs/dbraw/zinc/88/54/79/451885479.db2.gz KIFLMUZOOYCQPB-QUCCMNQESA-N 2 2 345.487 1.614 20 0 EDADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639472492 451885485 /nfs/dbraw/zinc/88/54/85/451885485.db2.gz KIFLMUZOOYCQPB-QUCCMNQESA-N 2 2 345.487 1.614 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn2cc[nH+]c12 ZINC000653375321 451886978 /nfs/dbraw/zinc/88/69/78/451886978.db2.gz VWFRTLITWPKVMR-JKSUJKDBSA-N 2 2 343.431 1.706 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)[C@@H]3CN(C)CCO3)c2cc1C ZINC000644602907 451888746 /nfs/dbraw/zinc/88/87/46/451888746.db2.gz TVPODFQQBWHOCS-MDZRGWNJSA-N 2 2 346.475 1.323 20 0 EDADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c(=O)n1C ZINC000644633931 451905975 /nfs/dbraw/zinc/90/59/75/451905975.db2.gz DYAUNYJPYRDTBK-GOSISDBHSA-N 2 2 329.444 1.276 20 0 EDADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c(=O)n1C ZINC000644633931 451905980 /nfs/dbraw/zinc/90/59/80/451905980.db2.gz DYAUNYJPYRDTBK-GOSISDBHSA-N 2 2 329.444 1.276 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649213594 451908266 /nfs/dbraw/zinc/90/82/66/451908266.db2.gz AFZQPIYBOMYGIO-YJBOKZPZSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649213594 451908271 /nfs/dbraw/zinc/90/82/71/451908271.db2.gz AFZQPIYBOMYGIO-YJBOKZPZSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2cncn2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649213594 451908275 /nfs/dbraw/zinc/90/82/75/451908275.db2.gz AFZQPIYBOMYGIO-YJBOKZPZSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2cncn2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649213594 451908281 /nfs/dbraw/zinc/90/82/81/451908281.db2.gz AFZQPIYBOMYGIO-YJBOKZPZSA-N 2 2 345.491 1.072 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641375182 451909442 /nfs/dbraw/zinc/90/94/42/451909442.db2.gz SQQLLFNJKRHSJI-RBSFLKMASA-N 2 2 328.482 1.169 20 0 EDADLP CC(C)N1CC[NH+](C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000651600061 451949383 /nfs/dbraw/zinc/94/93/83/451949383.db2.gz MWYFWWLHZISBMU-QGZVFWFLSA-N 2 2 347.507 1.851 20 0 EDADLP CC(C)[NH+]1CCN(C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)CC1 ZINC000651600061 451949389 /nfs/dbraw/zinc/94/93/89/451949389.db2.gz MWYFWWLHZISBMU-QGZVFWFLSA-N 2 2 347.507 1.851 20 0 EDADLP CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641384833 451919228 /nfs/dbraw/zinc/91/92/28/451919228.db2.gz JETQJYLZEBDSOJ-UHFFFAOYSA-N 2 2 348.472 1.582 20 0 EDADLP CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641384833 451919235 /nfs/dbraw/zinc/91/92/35/451919235.db2.gz JETQJYLZEBDSOJ-UHFFFAOYSA-N 2 2 348.472 1.582 20 0 EDADLP COCCC1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[NH2+]CC1 ZINC000649268497 451942019 /nfs/dbraw/zinc/94/20/19/451942019.db2.gz MGAQDPCGYFWGHP-UHFFFAOYSA-N 2 2 346.475 1.704 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000649269960 451942911 /nfs/dbraw/zinc/94/29/11/451942911.db2.gz AEZWHBOVBGCDQC-WMZOPIPTSA-N 3 2 341.459 1.060 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000639554871 451943946 /nfs/dbraw/zinc/94/39/46/451943946.db2.gz WCTYZDUESHPROU-NXHRZFHOSA-N 2 2 334.508 1.098 20 0 EDADLP C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000639554871 451943951 /nfs/dbraw/zinc/94/39/51/451943951.db2.gz WCTYZDUESHPROU-NXHRZFHOSA-N 2 2 334.508 1.098 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCc3ccc(Cl)cc3)CCO2)CC1 ZINC000649296146 451973664 /nfs/dbraw/zinc/97/36/64/451973664.db2.gz HNIDWTQCPXVKAI-GOSISDBHSA-N 2 2 337.895 1.831 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000642857555 451974084 /nfs/dbraw/zinc/97/40/84/451974084.db2.gz RICOPCKGEVGSLL-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000642857555 451974088 /nfs/dbraw/zinc/97/40/88/451974088.db2.gz RICOPCKGEVGSLL-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641459194 451995156 /nfs/dbraw/zinc/99/51/56/451995156.db2.gz VCWKQFFYDZKNGV-UHFFFAOYSA-N 2 2 339.465 1.384 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Cl)c1 ZINC000649321424 451999745 /nfs/dbraw/zinc/99/97/45/451999745.db2.gz XJTIFAFJEDJMOW-PMPSAXMXSA-N 2 2 337.851 1.397 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@]2(N)CC[N@H+](C)C2)c1)[NH+]1CCOCC1 ZINC000649323288 452003417 /nfs/dbraw/zinc/00/34/17/452003417.db2.gz SVWWHRQIDXLOHS-KSSFIOAISA-N 2 2 332.448 1.051 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@]2(N)CC[N@@H+](C)C2)c1)[NH+]1CCOCC1 ZINC000649323288 452003421 /nfs/dbraw/zinc/00/34/21/452003421.db2.gz SVWWHRQIDXLOHS-KSSFIOAISA-N 2 2 332.448 1.051 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@H]1C ZINC000649325090 452004942 /nfs/dbraw/zinc/00/49/42/452004942.db2.gz IQOQJXMTSSVRLE-DOMZBBRYSA-N 2 2 325.840 1.519 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@H]1C ZINC000649325090 452004947 /nfs/dbraw/zinc/00/49/47/452004947.db2.gz IQOQJXMTSSVRLE-DOMZBBRYSA-N 2 2 325.840 1.519 20 0 EDADLP CC1(C)C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H](CO)O1 ZINC000639675718 452015024 /nfs/dbraw/zinc/01/50/24/452015024.db2.gz XJIKVHJJULTTIC-PKOBYXMFSA-N 2 2 334.460 1.095 20 0 EDADLP CC1(C)C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@@H](CO)O1 ZINC000639675718 452015032 /nfs/dbraw/zinc/01/50/32/452015032.db2.gz XJIKVHJJULTTIC-PKOBYXMFSA-N 2 2 334.460 1.095 20 0 EDADLP CC1(C)C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H](CO)O1 ZINC000639675718 452015038 /nfs/dbraw/zinc/01/50/38/452015038.db2.gz XJIKVHJJULTTIC-PKOBYXMFSA-N 2 2 334.460 1.095 20 0 EDADLP CC1(C)C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](CO)O1 ZINC000639675718 452015046 /nfs/dbraw/zinc/01/50/46/452015046.db2.gz XJIKVHJJULTTIC-PKOBYXMFSA-N 2 2 334.460 1.095 20 0 EDADLP CCCN(C(=O)C(=O)NCc1[nH+]ccn1CC(C)C)[C@H]1CC[N@H+](C)C1 ZINC000647048611 452028178 /nfs/dbraw/zinc/02/81/78/452028178.db2.gz VCXPMDTUAFETSV-HNNXBMFYSA-N 2 2 349.479 1.098 20 0 EDADLP CCCN(C(=O)C(=O)NCc1[nH+]ccn1CC(C)C)[C@H]1CC[N@@H+](C)C1 ZINC000647048611 452028186 /nfs/dbraw/zinc/02/81/86/452028186.db2.gz VCXPMDTUAFETSV-HNNXBMFYSA-N 2 2 349.479 1.098 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000653672729 452071858 /nfs/dbraw/zinc/07/18/58/452071858.db2.gz ZVQHGJQCWVDEJF-GJZGRUSLSA-N 2 2 345.281 1.559 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000653672729 452071863 /nfs/dbraw/zinc/07/18/63/452071863.db2.gz ZVQHGJQCWVDEJF-GJZGRUSLSA-N 2 2 345.281 1.559 20 0 EDADLP CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1 ZINC000649357716 452039958 /nfs/dbraw/zinc/03/99/58/452039958.db2.gz DJOAHOTYPLIIBV-KRWDZBQOSA-N 3 2 341.459 1.141 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000649366694 452045156 /nfs/dbraw/zinc/04/51/56/452045156.db2.gz WFAFRJCLMTYFIS-RCCFBDPRSA-N 2 2 342.443 1.221 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000641540425 452073063 /nfs/dbraw/zinc/07/30/63/452073063.db2.gz PLKVDDWYVAPUEV-MRXNPFEDSA-N 2 2 348.491 1.829 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000649416141 452077581 /nfs/dbraw/zinc/07/75/81/452077581.db2.gz SKWFNDAANMUIEM-UHFFFAOYSA-N 3 2 344.503 1.452 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)[C@H](Cc2ccccc2)C1 ZINC000649498019 452111164 /nfs/dbraw/zinc/11/11/64/452111164.db2.gz ADUDXKNMYPFZRP-GOSISDBHSA-N 2 2 341.459 1.842 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCn2cc[nH+]c2)[C@H](Cc2ccccc2)C1 ZINC000649498019 452111165 /nfs/dbraw/zinc/11/11/65/452111165.db2.gz ADUDXKNMYPFZRP-GOSISDBHSA-N 2 2 341.459 1.842 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000649498219 452111686 /nfs/dbraw/zinc/11/16/86/452111686.db2.gz DJANMSYJMVOOEB-SJLPKXTDSA-N 2 2 341.459 1.840 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000649498219 452111691 /nfs/dbraw/zinc/11/16/91/452111691.db2.gz DJANMSYJMVOOEB-SJLPKXTDSA-N 2 2 341.459 1.840 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc3n(n2)CCCC3)nc[nH+]1 ZINC000649510486 452117005 /nfs/dbraw/zinc/11/70/05/452117005.db2.gz FMQVAXDIMLEPDG-INIZCTEOSA-N 2 2 341.463 1.810 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793542 452133770 /nfs/dbraw/zinc/13/37/70/452133770.db2.gz UWUHRQFQGWPDEP-DLBZAZTESA-N 2 2 344.459 1.358 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793542 452133776 /nfs/dbraw/zinc/13/37/76/452133776.db2.gz UWUHRQFQGWPDEP-DLBZAZTESA-N 2 2 344.459 1.358 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793542 452133779 /nfs/dbraw/zinc/13/37/79/452133779.db2.gz UWUHRQFQGWPDEP-DLBZAZTESA-N 2 2 344.459 1.358 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793542 452133783 /nfs/dbraw/zinc/13/37/83/452133783.db2.gz UWUHRQFQGWPDEP-DLBZAZTESA-N 2 2 344.459 1.358 20 0 EDADLP C[C@H](O)C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000653896229 452165525 /nfs/dbraw/zinc/16/55/25/452165525.db2.gz OAMRQRQGAAOUHD-HNNXBMFYSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H](O)C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000653896229 452165531 /nfs/dbraw/zinc/16/55/31/452165531.db2.gz OAMRQRQGAAOUHD-HNNXBMFYSA-N 2 2 347.459 1.303 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCCC[NH+]3CCCC3)cn21 ZINC000645131234 452167992 /nfs/dbraw/zinc/16/79/92/452167992.db2.gz RYCUFTSHUKKOMD-UHFFFAOYSA-N 2 2 329.448 1.970 20 0 EDADLP CC(C)Oc1cc[nH+]c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000649623650 452172647 /nfs/dbraw/zinc/17/26/47/452172647.db2.gz ZFPDRYGLKPWJTD-KRWDZBQOSA-N 2 2 346.475 1.655 20 0 EDADLP CN(Cc1c[nH+]c(N)nc1N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000637945601 452194237 /nfs/dbraw/zinc/19/42/37/452194237.db2.gz CEMHECQFXWIUDQ-INIZCTEOSA-N 2 2 326.448 1.398 20 0 EDADLP CN(Cc1c[nH+]c(N)nc1N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000637945601 452194243 /nfs/dbraw/zinc/19/42/43/452194243.db2.gz CEMHECQFXWIUDQ-INIZCTEOSA-N 2 2 326.448 1.398 20 0 EDADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000649742472 452223608 /nfs/dbraw/zinc/22/36/08/452223608.db2.gz FLGUAMFWDCTCMB-ARFHVFGLSA-N 2 2 333.432 1.096 20 0 EDADLP COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000649742472 452223613 /nfs/dbraw/zinc/22/36/13/452223613.db2.gz FLGUAMFWDCTCMB-ARFHVFGLSA-N 2 2 333.432 1.096 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000645232674 452225155 /nfs/dbraw/zinc/22/51/55/452225155.db2.gz LVAPHAXSVZKNSI-MRXNPFEDSA-N 2 2 345.447 1.205 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000645232674 452225160 /nfs/dbraw/zinc/22/51/60/452225160.db2.gz LVAPHAXSVZKNSI-MRXNPFEDSA-N 2 2 345.447 1.205 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000641752002 452236629 /nfs/dbraw/zinc/23/66/29/452236629.db2.gz MGSHGNOUAHAGTD-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCOCC1 ZINC000641752002 452236632 /nfs/dbraw/zinc/23/66/32/452236632.db2.gz MGSHGNOUAHAGTD-HNNXBMFYSA-N 2 2 326.485 1.079 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@@H]3CCC[N@@H+](C)C3)cn21 ZINC000645262766 452241337 /nfs/dbraw/zinc/24/13/37/452241337.db2.gz GGWNUQTVTDIZSY-HNNXBMFYSA-N 2 2 329.448 1.826 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@@H]3CCC[N@H+](C)C3)cn21 ZINC000645262766 452241342 /nfs/dbraw/zinc/24/13/42/452241342.db2.gz GGWNUQTVTDIZSY-HNNXBMFYSA-N 2 2 329.448 1.826 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c2cc1C ZINC000647515086 452249815 /nfs/dbraw/zinc/24/98/15/452249815.db2.gz OTFOAASCCUYSMS-ZOWXZIJZSA-N 2 2 345.365 1.915 20 0 EDADLP COC1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641784697 452254406 /nfs/dbraw/zinc/25/44/06/452254406.db2.gz DPYZJNSYRDLSBU-LXPRWKDFSA-N 2 2 325.497 1.330 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787230 452259683 /nfs/dbraw/zinc/25/96/83/452259683.db2.gz SCNVXHMQFAJNIR-IBGZPJMESA-N 2 2 349.523 1.659 20 0 EDADLP Cn1cc[nH+]c1[C@H](C1CC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000638021312 452266622 /nfs/dbraw/zinc/26/66/22/452266622.db2.gz CJXUVYHJUIPJTB-KRWDZBQOSA-N 2 2 331.464 1.111 20 0 EDADLP CC(C)(C)n1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641789935 452270436 /nfs/dbraw/zinc/27/04/36/452270436.db2.gz ZXQQHPYCFIWEBN-SFHVURJKSA-N 2 2 349.523 1.524 20 0 EDADLP C(c1nc2c(s1)CCC2)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000647537208 452271529 /nfs/dbraw/zinc/27/15/29/452271529.db2.gz HUFQWCOJKOLKCC-UHFFFAOYSA-N 2 2 344.488 1.706 20 0 EDADLP C[N@@H+]1CCN(Cc2csc(COc3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000647539389 452272532 /nfs/dbraw/zinc/27/25/32/452272532.db2.gz ZGIGMOGBNYBZMP-HNNXBMFYSA-N 2 2 332.473 1.797 20 0 EDADLP C[N@H+]1CCN(Cc2csc(COc3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000647539389 452272543 /nfs/dbraw/zinc/27/25/43/452272543.db2.gz ZGIGMOGBNYBZMP-HNNXBMFYSA-N 2 2 332.473 1.797 20 0 EDADLP COc1c[nH+]ccc1N1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665715944 452278635 /nfs/dbraw/zinc/27/86/35/452278635.db2.gz CMICYFOTIBTKMB-UHFFFAOYSA-N 2 2 328.376 1.011 20 0 EDADLP COc1c[nH+]ccc1N1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665715944 452278647 /nfs/dbraw/zinc/27/86/47/452278647.db2.gz CMICYFOTIBTKMB-UHFFFAOYSA-N 2 2 328.376 1.011 20 0 EDADLP C[C@@H](CNC(=O)[C@H](N)c1c(F)cccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488406 452284621 /nfs/dbraw/zinc/28/46/21/452284621.db2.gz YSCPJCRNMDVIDW-PVTKRXDGSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488406 452284629 /nfs/dbraw/zinc/28/46/29/452284629.db2.gz YSCPJCRNMDVIDW-PVTKRXDGSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488406 452284633 /nfs/dbraw/zinc/28/46/33/452284633.db2.gz YSCPJCRNMDVIDW-PVTKRXDGSA-N 2 2 341.402 1.579 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000659444962 452292791 /nfs/dbraw/zinc/29/27/91/452292791.db2.gz KGQYEWWVFVDCAH-QGZVFWFLSA-N 3 2 339.528 1.218 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H](C)[NH2+]C2CC2)cc1 ZINC000645317028 452295595 /nfs/dbraw/zinc/29/55/95/452295595.db2.gz PWZMZECNVNXAFQ-YJBOKZPZSA-N 2 2 331.460 1.625 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000659456976 452307861 /nfs/dbraw/zinc/30/78/61/452307861.db2.gz VCPZOCJVOQPBAV-LERXQTSPSA-N 2 2 344.381 1.648 20 0 EDADLP CO[C@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@](C)(CO)C1 ZINC000640000034 452331651 /nfs/dbraw/zinc/33/16/51/452331651.db2.gz BOXKOYTUULZKFL-UXHICEINSA-N 2 2 347.503 1.670 20 0 EDADLP CO[C@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@](C)(CO)C1 ZINC000640000034 452331662 /nfs/dbraw/zinc/33/16/62/452331662.db2.gz BOXKOYTUULZKFL-UXHICEINSA-N 2 2 347.503 1.670 20 0 EDADLP Cc1cc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000645358628 452336060 /nfs/dbraw/zinc/33/60/60/452336060.db2.gz FEWQNVLYGOGSIE-CQSZACIVSA-N 2 2 340.431 1.403 20 0 EDADLP CNc1nc(N2CCOC3(CC[NH+](C)CC3)C2)[nH+]c2ccccc21 ZINC000645384686 452358290 /nfs/dbraw/zinc/35/82/90/452358290.db2.gz RZVWDVWSFFXPPI-UHFFFAOYSA-N 2 2 327.432 1.973 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc2[nH+]1 ZINC000657592172 452359928 /nfs/dbraw/zinc/35/99/28/452359928.db2.gz RNENZVJBTRQDCH-CQSZACIVSA-N 2 2 343.431 1.428 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)cc2[nH+]1 ZINC000657592172 452359939 /nfs/dbraw/zinc/35/99/39/452359939.db2.gz RNENZVJBTRQDCH-CQSZACIVSA-N 2 2 343.431 1.428 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000645388509 452362056 /nfs/dbraw/zinc/36/20/56/452362056.db2.gz RWMNMPQPBWZVPE-INIZCTEOSA-N 2 2 346.454 1.649 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000661549769 452365211 /nfs/dbraw/zinc/36/52/11/452365211.db2.gz SLNYDUACIHCKIS-IBGZPJMESA-N 2 2 343.475 1.919 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000661549769 452365219 /nfs/dbraw/zinc/36/52/19/452365219.db2.gz SLNYDUACIHCKIS-IBGZPJMESA-N 2 2 343.475 1.919 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)C1 ZINC000657598967 452370242 /nfs/dbraw/zinc/37/02/42/452370242.db2.gz XHGPCVAGMIMCNU-QRQLOZEOSA-N 2 2 334.460 1.580 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)C1 ZINC000657598967 452370251 /nfs/dbraw/zinc/37/02/51/452370251.db2.gz XHGPCVAGMIMCNU-QRQLOZEOSA-N 2 2 334.460 1.580 20 0 EDADLP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](c3cccs3)c3nnc[nH]3)C2)CC1 ZINC000645408781 452379934 /nfs/dbraw/zinc/37/99/34/452379934.db2.gz CXAFDDIIILVGHJ-XJKSGUPXSA-N 2 2 346.504 1.714 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N(C2CC2)C2CC[NH2+]CC2)CC1 ZINC000647643852 452381999 /nfs/dbraw/zinc/38/19/99/452381999.db2.gz XINJSKIWSQUWMA-UHFFFAOYSA-N 2 2 345.491 1.375 20 0 EDADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652189046 452386752 /nfs/dbraw/zinc/38/67/52/452386752.db2.gz BCEYEPDNRHQEPQ-KDOFPFPSSA-N 2 2 338.448 1.820 20 0 EDADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652189046 452386764 /nfs/dbraw/zinc/38/67/64/452386764.db2.gz BCEYEPDNRHQEPQ-KDOFPFPSSA-N 2 2 338.448 1.820 20 0 EDADLP C[C@H](CNc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)C[NH+]1CCOCC1 ZINC000663642420 452387189 /nfs/dbraw/zinc/38/71/89/452387189.db2.gz AEXDTIYRKHAMPH-GFCCVEGCSA-N 2 2 347.467 1.544 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659548869 452406197 /nfs/dbraw/zinc/40/61/97/452406197.db2.gz PXYPCHGQLBJASR-HNNXBMFYSA-N 2 2 326.485 1.258 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000652214083 452408415 /nfs/dbraw/zinc/40/84/15/452408415.db2.gz SSWBKELDDZEDKM-AWEZNQCLSA-N 2 2 326.391 1.149 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000652214083 452408422 /nfs/dbraw/zinc/40/84/22/452408422.db2.gz SSWBKELDDZEDKM-AWEZNQCLSA-N 2 2 326.391 1.149 20 0 EDADLP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663680191 452417269 /nfs/dbraw/zinc/41/72/69/452417269.db2.gz ODDZWGXNMLLDPD-MRXNPFEDSA-N 2 2 331.464 1.786 20 0 EDADLP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663680191 452417272 /nfs/dbraw/zinc/41/72/72/452417272.db2.gz ODDZWGXNMLLDPD-MRXNPFEDSA-N 2 2 331.464 1.786 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2(c3ccccc3F)CCC2)[C@@H](C[NH3+])C1 ZINC000652226963 452419536 /nfs/dbraw/zinc/41/95/36/452419536.db2.gz WSIJBMKAKLRXKE-AWEZNQCLSA-N 2 2 334.439 1.532 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3ccccc3F)CCC2)[C@@H](C[NH3+])C1 ZINC000652226963 452419542 /nfs/dbraw/zinc/41/95/42/452419542.db2.gz WSIJBMKAKLRXKE-AWEZNQCLSA-N 2 2 334.439 1.532 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](CCc3cnccn3)CC2)C1 ZINC000640102068 452426163 /nfs/dbraw/zinc/42/61/63/452426163.db2.gz JDXSLMRGDKCAGS-QZTJIDSGSA-N 2 2 331.508 1.615 20 0 EDADLP [NH3+]CC1(CCNC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CC1 ZINC000652241934 452427189 /nfs/dbraw/zinc/42/71/89/452427189.db2.gz IDGOZSYMFIGXJV-UHFFFAOYSA-N 2 2 337.493 1.489 20 0 EDADLP [NH3+]CC1(CCNC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC1 ZINC000652241934 452427190 /nfs/dbraw/zinc/42/71/90/452427190.db2.gz IDGOZSYMFIGXJV-UHFFFAOYSA-N 2 2 337.493 1.489 20 0 EDADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000665887293 452441996 /nfs/dbraw/zinc/44/19/96/452441996.db2.gz LFYJJMGWADKOAU-QZTJIDSGSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000665887293 452442000 /nfs/dbraw/zinc/44/20/00/452442000.db2.gz LFYJJMGWADKOAU-QZTJIDSGSA-N 2 2 346.475 1.009 20 0 EDADLP C[C@H](COc1c(F)cccc1F)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659599314 452456275 /nfs/dbraw/zinc/45/62/75/452456275.db2.gz YHXVOJVHRPETEG-NEPJUHHUSA-N 2 2 342.390 1.016 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160046 452473437 /nfs/dbraw/zinc/47/34/37/452473437.db2.gz CAGWSWVJUBHMDV-UHFFFAOYSA-N 2 2 348.472 1.677 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160046 452473446 /nfs/dbraw/zinc/47/34/46/452473446.db2.gz CAGWSWVJUBHMDV-UHFFFAOYSA-N 2 2 348.472 1.677 20 0 EDADLP C[C@]12COC[C@@H]1C[N@H+](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000661702058 452507085 /nfs/dbraw/zinc/50/70/85/452507085.db2.gz OTWLWOHTDNHUEQ-ICSRJNTNSA-N 2 2 343.471 1.299 20 0 EDADLP C[C@]12COC[C@@H]1C[N@@H+](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000661702058 452507098 /nfs/dbraw/zinc/50/70/98/452507098.db2.gz OTWLWOHTDNHUEQ-ICSRJNTNSA-N 2 2 343.471 1.299 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C[NH2+]C ZINC000659648863 452509630 /nfs/dbraw/zinc/50/96/30/452509630.db2.gz VHPRPJJTNXSGDW-OAHLLOKOSA-N 2 2 333.480 1.937 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)C[NH2+]C ZINC000659648862 452509920 /nfs/dbraw/zinc/50/99/20/452509920.db2.gz VHPRPJJTNXSGDW-HNNXBMFYSA-N 2 2 333.480 1.937 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000652341428 452513596 /nfs/dbraw/zinc/51/35/96/452513596.db2.gz OUMKXEATOMMOQK-UFYCRDLUSA-N 3 2 331.504 1.943 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000652341428 452513603 /nfs/dbraw/zinc/51/36/03/452513603.db2.gz OUMKXEATOMMOQK-UFYCRDLUSA-N 3 2 331.504 1.943 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000652341428 452513610 /nfs/dbraw/zinc/51/36/10/452513610.db2.gz OUMKXEATOMMOQK-UFYCRDLUSA-N 3 2 331.504 1.943 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000652341428 452513617 /nfs/dbraw/zinc/51/36/17/452513617.db2.gz OUMKXEATOMMOQK-UFYCRDLUSA-N 3 2 331.504 1.943 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652358007 452537556 /nfs/dbraw/zinc/53/75/56/452537556.db2.gz XNCWUMPMZHJUIO-BMGDILEWSA-N 2 2 333.476 1.722 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652358007 452537565 /nfs/dbraw/zinc/53/75/65/452537565.db2.gz XNCWUMPMZHJUIO-BMGDILEWSA-N 2 2 333.476 1.722 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC2C[NH2+]C2)CC1 ZINC000640255605 452548598 /nfs/dbraw/zinc/54/85/98/452548598.db2.gz ULNWUHCTTBITIH-UHFFFAOYSA-N 2 2 332.448 1.050 20 0 EDADLP CCn1c[nH+]cc1C[NH2+][C@H]1CCCCN(Cc2nc(C)no2)C1=O ZINC000643734912 452553007 /nfs/dbraw/zinc/55/30/07/452553007.db2.gz QNNPDHUCTIKOSR-AWEZNQCLSA-N 2 2 332.408 1.265 20 0 EDADLP c1cc(-c2nncnn2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655781106 452575354 /nfs/dbraw/zinc/57/53/54/452575354.db2.gz UDAABQNHTODDLC-QGZVFWFLSA-N 2 2 340.431 1.277 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000663848926 452576832 /nfs/dbraw/zinc/57/68/32/452576832.db2.gz ORTXVRVNIISSFM-IXDOHACOSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000663848926 452576841 /nfs/dbraw/zinc/57/68/41/452576841.db2.gz ORTXVRVNIISSFM-IXDOHACOSA-N 2 2 340.512 1.515 20 0 EDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000647878565 452617722 /nfs/dbraw/zinc/61/77/22/452617722.db2.gz QKQCAVGDEVNACI-UHFFFAOYSA-N 2 2 327.428 1.573 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663904138 452632518 /nfs/dbraw/zinc/63/25/18/452632518.db2.gz BMECEHGUQKCEOD-HZPDHXFCSA-N 2 2 345.491 1.891 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCCn3nccc32)C1=O ZINC000657969500 452648436 /nfs/dbraw/zinc/64/84/36/452648436.db2.gz BDQDCSGDGROTIW-KBPBESRZSA-N 2 2 328.420 1.232 20 0 EDADLP [NH3+]C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(F)(F)F ZINC000655911262 452668766 /nfs/dbraw/zinc/66/87/66/452668766.db2.gz IECULSQHPFWNBX-NSHDSACASA-N 2 2 331.342 1.239 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@@H]1[NH3+] ZINC000647937884 452679045 /nfs/dbraw/zinc/67/90/45/452679045.db2.gz DKKMYXYZIHUVRJ-CABCVRRESA-N 2 2 344.459 1.811 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)CC[C@@H]1[NH3+] ZINC000647937884 452679053 /nfs/dbraw/zinc/67/90/53/452679053.db2.gz DKKMYXYZIHUVRJ-CABCVRRESA-N 2 2 344.459 1.811 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCC1(c2ccccc2)CC1 ZINC000647957038 452700540 /nfs/dbraw/zinc/70/05/40/452700540.db2.gz HWQWNLSSUMGSRF-LJQANCHMSA-N 2 2 327.472 1.910 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCC1(c2ccccc2)CC1 ZINC000647957038 452700546 /nfs/dbraw/zinc/70/05/46/452700546.db2.gz HWQWNLSSUMGSRF-LJQANCHMSA-N 2 2 327.472 1.910 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000658053455 452708572 /nfs/dbraw/zinc/70/85/72/452708572.db2.gz BDNFXJSSWZQIDF-GXTWGEPZSA-N 2 2 325.478 1.857 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(S(N)(=O)=O)cc1 ZINC000658053455 452708579 /nfs/dbraw/zinc/70/85/79/452708579.db2.gz BDNFXJSSWZQIDF-GXTWGEPZSA-N 2 2 325.478 1.857 20 0 EDADLP C[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650733 452749762 /nfs/dbraw/zinc/74/97/62/452749762.db2.gz KRRXXOOJCLVPGW-SOUVJXGZSA-N 2 2 349.479 1.796 20 0 EDADLP C[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650733 452749771 /nfs/dbraw/zinc/74/97/71/452749771.db2.gz KRRXXOOJCLVPGW-SOUVJXGZSA-N 2 2 349.479 1.796 20 0 EDADLP C[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650733 452749775 /nfs/dbraw/zinc/74/97/75/452749775.db2.gz KRRXXOOJCLVPGW-SOUVJXGZSA-N 2 2 349.479 1.796 20 0 EDADLP C[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650733 452749784 /nfs/dbraw/zinc/74/97/84/452749784.db2.gz KRRXXOOJCLVPGW-SOUVJXGZSA-N 2 2 349.479 1.796 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000658255450 452810717 /nfs/dbraw/zinc/81/07/17/452810717.db2.gz UQGQGWKYGHVEJB-IEBWSBKVSA-N 2 2 328.504 1.881 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000658255450 452810723 /nfs/dbraw/zinc/81/07/23/452810723.db2.gz UQGQGWKYGHVEJB-IEBWSBKVSA-N 2 2 328.504 1.881 20 0 EDADLP O=C(C[N@@H+]1CCC2(COC2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662075792 452821665 /nfs/dbraw/zinc/82/16/65/452821665.db2.gz LKNSMVYBVBYXGK-UHFFFAOYSA-N 2 2 345.443 1.180 20 0 EDADLP O=C(C[N@H+]1CCC2(COC2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662075792 452821678 /nfs/dbraw/zinc/82/16/78/452821678.db2.gz LKNSMVYBVBYXGK-UHFFFAOYSA-N 2 2 345.443 1.180 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341507 452853825 /nfs/dbraw/zinc/85/38/25/452853825.db2.gz JAHFUYZQMPPCSW-RBUKOAKNSA-N 2 2 342.491 1.463 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341507 452853837 /nfs/dbraw/zinc/85/38/37/452853837.db2.gz JAHFUYZQMPPCSW-RBUKOAKNSA-N 2 2 342.491 1.463 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[NH+](CC4CC4)CC3)cn21 ZINC000645932995 452912355 /nfs/dbraw/zinc/91/23/55/452912355.db2.gz UCYPIHNCLWCPTO-UHFFFAOYSA-N 2 2 341.459 1.922 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000656198962 452956039 /nfs/dbraw/zinc/95/60/39/452956039.db2.gz PEFHEHJOWZOOMU-KKUMJFAQSA-N 2 2 335.452 1.205 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000658428197 452956907 /nfs/dbraw/zinc/95/69/07/452956907.db2.gz STHHYUYCUMGDNS-UHFFFAOYSA-N 2 2 345.447 1.106 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000658428197 452956918 /nfs/dbraw/zinc/95/69/18/452956918.db2.gz STHHYUYCUMGDNS-UHFFFAOYSA-N 2 2 345.447 1.106 20 0 EDADLP CCC(C)(C)[NH+]1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000656215461 452968022 /nfs/dbraw/zinc/96/80/22/452968022.db2.gz XXJVJSWVLLBWME-JKSUJKDBSA-N 2 2 347.507 1.994 20 0 EDADLP CO[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648316171 452998742 /nfs/dbraw/zinc/99/87/42/452998742.db2.gz LGXLPPWYXOSLSJ-HKUYNNGSSA-N 2 2 345.487 1.529 20 0 EDADLP CO[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648316171 452998750 /nfs/dbraw/zinc/99/87/50/452998750.db2.gz LGXLPPWYXOSLSJ-HKUYNNGSSA-N 2 2 345.487 1.529 20 0 EDADLP c1nc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656280685 453007588 /nfs/dbraw/zinc/00/75/88/453007588.db2.gz FPWCIUUJMIGDAD-SFHVURJKSA-N 2 2 345.491 1.764 20 0 EDADLP c1nc(N2CCCC2)ncc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656280685 453007591 /nfs/dbraw/zinc/00/75/91/453007591.db2.gz FPWCIUUJMIGDAD-SFHVURJKSA-N 2 2 345.491 1.764 20 0 EDADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662285702 453010235 /nfs/dbraw/zinc/01/02/35/453010235.db2.gz OGNJXRFHYANUNY-INIZCTEOSA-N 2 2 347.503 1.766 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319241 453035261 /nfs/dbraw/zinc/03/52/61/453035261.db2.gz LGFUPGSZPXRYJH-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319241 453035269 /nfs/dbraw/zinc/03/52/69/453035269.db2.gz LGFUPGSZPXRYJH-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000658501704 453046366 /nfs/dbraw/zinc/04/63/66/453046366.db2.gz KSMFEXZGTMUQRH-UONOGXRCSA-N 2 2 347.463 1.105 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000658501704 453046376 /nfs/dbraw/zinc/04/63/76/453046376.db2.gz KSMFEXZGTMUQRH-UONOGXRCSA-N 2 2 347.463 1.105 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000662356740 453070718 /nfs/dbraw/zinc/07/07/18/453070718.db2.gz VPFJXEKKLMBUNX-OAHLLOKOSA-N 2 2 333.432 1.100 20 0 EDADLP CC1CC[NH+](Cc2csc(NC(=O)c3cn(CC[NH3+])nn3)n2)CC1 ZINC000662364599 453073716 /nfs/dbraw/zinc/07/37/16/453073716.db2.gz JDHAKOBHZHSURO-UHFFFAOYSA-N 2 2 349.464 1.178 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N(C1CC1)C1CCCC1)CCO2 ZINC000646104288 453106968 /nfs/dbraw/zinc/10/69/68/453106968.db2.gz IGTJZNXPBWHEJL-UHFFFAOYSA-N 2 2 335.492 1.717 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)CCO2 ZINC000646104288 453106977 /nfs/dbraw/zinc/10/69/77/453106977.db2.gz IGTJZNXPBWHEJL-UHFFFAOYSA-N 2 2 335.492 1.717 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662448294 453155893 /nfs/dbraw/zinc/15/58/93/453155893.db2.gz MFNWDWHEGGCIJG-KRWDZBQOSA-N 2 2 339.443 1.299 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000646183438 453193377 /nfs/dbraw/zinc/19/33/77/453193377.db2.gz KXIIUYKKGFPCER-UHFFFAOYSA-N 2 2 349.479 1.112 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000653062772 453238231 /nfs/dbraw/zinc/23/82/31/453238231.db2.gz JCFDGASEKGOHDJ-SFHVURJKSA-N 2 2 333.476 1.842 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000666917286 453240688 /nfs/dbraw/zinc/24/06/88/453240688.db2.gz NTKNULJCDZQRBA-CQSZACIVSA-N 2 2 346.466 1.945 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000666917286 453240693 /nfs/dbraw/zinc/24/06/93/453240693.db2.gz NTKNULJCDZQRBA-CQSZACIVSA-N 2 2 346.466 1.945 20 0 EDADLP CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)CC1 ZINC000653076864 453255429 /nfs/dbraw/zinc/25/54/29/453255429.db2.gz HEDGTCNEUVERTM-KRWDZBQOSA-N 2 2 346.475 1.776 20 0 EDADLP CCCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1Cl ZINC000653077972 453257028 /nfs/dbraw/zinc/25/70/28/453257028.db2.gz QJKQRMPWYAKTHI-CQSZACIVSA-N 2 2 340.855 1.697 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000653082463 453263075 /nfs/dbraw/zinc/26/30/75/453263075.db2.gz VQSBIOARTPWWCG-OAHLLOKOSA-N 2 2 330.388 1.749 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000648782554 453265669 /nfs/dbraw/zinc/26/56/69/453265669.db2.gz OKOSKYSAPCWPHV-JKSUJKDBSA-N 2 2 335.496 1.396 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000648782554 453265676 /nfs/dbraw/zinc/26/56/76/453265676.db2.gz OKOSKYSAPCWPHV-JKSUJKDBSA-N 2 2 335.496 1.396 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000648796682 453281471 /nfs/dbraw/zinc/28/14/71/453281471.db2.gz MTZQPXXLSNEWPR-CVEARBPZSA-N 2 2 334.464 1.577 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)CO1 ZINC000664663682 453297760 /nfs/dbraw/zinc/29/77/60/453297760.db2.gz ZOCXGDZNSVTFDJ-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)CO1 ZINC000664663682 453297764 /nfs/dbraw/zinc/29/77/64/453297764.db2.gz ZOCXGDZNSVTFDJ-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150672 453337877 /nfs/dbraw/zinc/33/78/77/453337877.db2.gz JZHLBPQFEAJLOL-GJZGRUSLSA-N 3 2 326.872 1.338 20 0 EDADLP COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653155480 453344062 /nfs/dbraw/zinc/34/40/62/453344062.db2.gz VWVPMAXOWFMHSO-DGCLKSJQSA-N 2 2 343.855 1.971 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000648869622 453344411 /nfs/dbraw/zinc/34/44/11/453344411.db2.gz ZTJQNELYKRKHNC-HUUCEWRRSA-N 2 2 344.463 1.645 20 0 EDADLP COc1ccccc1COC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653156261 453347705 /nfs/dbraw/zinc/34/77/05/453347705.db2.gz WFNMOPWCZSKPFE-QGZVFWFLSA-N 2 2 349.475 1.482 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)[C@H](C)CO1 ZINC000662632346 453347732 /nfs/dbraw/zinc/34/77/32/453347732.db2.gz CKKPABAKEOUICS-GPMSIDNRSA-N 2 2 331.460 1.143 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)[C@H](C)CO1 ZINC000662632346 453347734 /nfs/dbraw/zinc/34/77/34/453347734.db2.gz CKKPABAKEOUICS-GPMSIDNRSA-N 2 2 331.460 1.143 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000656693869 453369186 /nfs/dbraw/zinc/36/91/86/453369186.db2.gz JOQTYQORYCPEBY-MRXNPFEDSA-N 2 2 349.475 1.744 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000656693869 453369192 /nfs/dbraw/zinc/36/91/92/453369192.db2.gz JOQTYQORYCPEBY-MRXNPFEDSA-N 2 2 349.475 1.744 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000653182435 453371706 /nfs/dbraw/zinc/37/17/06/453371706.db2.gz SAROQOPDQBUWBR-BFYDXBDKSA-N 2 2 346.475 1.507 20 0 EDADLP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662664760 453377797 /nfs/dbraw/zinc/37/77/97/453377797.db2.gz GPTYAKQXRDAMJP-CQSZACIVSA-N 2 2 335.473 1.331 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000662670710 453385550 /nfs/dbraw/zinc/38/55/50/453385550.db2.gz HJVITHFBOTVDEV-XHBSWPGZSA-N 2 2 341.402 1.580 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000655270918 453387036 /nfs/dbraw/zinc/38/70/36/453387036.db2.gz OGQKPORBFDOOPY-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000655270918 453387041 /nfs/dbraw/zinc/38/70/41/453387041.db2.gz OGQKPORBFDOOPY-QGZVFWFLSA-N 2 2 337.508 1.963 20 0 EDADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000644396400 453401560 /nfs/dbraw/zinc/40/15/60/453401560.db2.gz SUDAYYBLQZONFZ-CFVMTHIKSA-N 2 2 335.452 1.611 20 0 EDADLP CCO[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000660574954 453414189 /nfs/dbraw/zinc/41/41/89/453414189.db2.gz RCRTXRRMHYNOOY-JCNLHEQBSA-N 2 2 338.496 1.412 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2csc(C[NH3+])n2)[C@@H](Cc2ccccc2)C1 ZINC000653253982 453438206 /nfs/dbraw/zinc/43/82/06/453438206.db2.gz FYXNBMBPVSLPBU-AWEZNQCLSA-N 2 2 330.457 1.601 20 0 EDADLP C[N@H+]1CCN(C(=O)c2csc(C[NH3+])n2)[C@@H](Cc2ccccc2)C1 ZINC000653253982 453438210 /nfs/dbraw/zinc/43/82/10/453438210.db2.gz FYXNBMBPVSLPBU-AWEZNQCLSA-N 2 2 330.457 1.601 20 0 EDADLP Cc1cc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cn2cc[nH+]c12 ZINC000667148220 453438843 /nfs/dbraw/zinc/43/88/43/453438843.db2.gz TVAVPWNDIOHUIH-UONOGXRCSA-N 2 2 331.420 1.873 20 0 EDADLP Cc1cc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cn2cc[nH+]c12 ZINC000667148220 453438846 /nfs/dbraw/zinc/43/88/46/453438846.db2.gz TVAVPWNDIOHUIH-UONOGXRCSA-N 2 2 331.420 1.873 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000664852746 453448966 /nfs/dbraw/zinc/44/89/66/453448966.db2.gz BGHWSYNWULVRDW-KGLIPLIRSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000664852746 453448971 /nfs/dbraw/zinc/44/89/71/453448971.db2.gz BGHWSYNWULVRDW-KGLIPLIRSA-N 2 2 335.452 1.128 20 0 EDADLP Cc1cccn2cc(CCNC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)[nH+]c12 ZINC000662738399 453462919 /nfs/dbraw/zinc/46/29/19/453462919.db2.gz WCKSBXOPYUUPDE-HNNXBMFYSA-N 2 2 340.349 1.843 20 0 EDADLP Cc1csc2nc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc(=O)n12 ZINC000660655000 453489535 /nfs/dbraw/zinc/48/95/35/453489535.db2.gz DWDMBDYIDXDCEX-KRWDZBQOSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc(=O)n12 ZINC000660655000 453489546 /nfs/dbraw/zinc/48/95/46/453489546.db2.gz DWDMBDYIDXDCEX-KRWDZBQOSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc(=O)n12 ZINC000660655000 453489556 /nfs/dbraw/zinc/48/95/56/453489556.db2.gz DWDMBDYIDXDCEX-KRWDZBQOSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc(=O)n12 ZINC000660655000 453489565 /nfs/dbraw/zinc/48/95/65/453489565.db2.gz DWDMBDYIDXDCEX-KRWDZBQOSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)nc12 ZINC000660656696 453493395 /nfs/dbraw/zinc/49/33/95/453493395.db2.gz NSLBECBVXLFBIE-LJQANCHMSA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)nc12 ZINC000660656696 453493404 /nfs/dbraw/zinc/49/34/04/453493404.db2.gz NSLBECBVXLFBIE-LJQANCHMSA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)nc12 ZINC000660656696 453493413 /nfs/dbraw/zinc/49/34/13/453493413.db2.gz NSLBECBVXLFBIE-LJQANCHMSA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)nc12 ZINC000660656696 453493423 /nfs/dbraw/zinc/49/34/23/453493423.db2.gz NSLBECBVXLFBIE-LJQANCHMSA-N 2 2 326.444 1.921 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1(C)C ZINC000662757843 453496795 /nfs/dbraw/zinc/49/67/95/453496795.db2.gz LXTAIHQYPSACKT-CQSZACIVSA-N 2 2 343.435 1.159 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662760124 453498090 /nfs/dbraw/zinc/49/80/90/453498090.db2.gz VYNSJGWLKHRDMD-ZDUSSCGKSA-N 2 2 343.431 1.782 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664953034 453514334 /nfs/dbraw/zinc/51/43/34/453514334.db2.gz UHKJQSFWWCHUIG-INIZCTEOSA-N 2 2 348.447 1.487 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(-n2cnnn2)c1 ZINC000651378713 453518967 /nfs/dbraw/zinc/51/89/67/453518967.db2.gz OPUZQFUFOPLPEB-YOEHRIQHSA-N 2 2 330.436 1.160 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(-n2cnnn2)c1 ZINC000651378713 453518975 /nfs/dbraw/zinc/51/89/75/453518975.db2.gz OPUZQFUFOPLPEB-YOEHRIQHSA-N 2 2 330.436 1.160 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(-n2cnnn2)c1 ZINC000651378711 453519532 /nfs/dbraw/zinc/51/95/32/453519532.db2.gz OPUZQFUFOPLPEB-RHSMWYFYSA-N 2 2 330.436 1.160 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(-n2cnnn2)c1 ZINC000651378711 453519538 /nfs/dbraw/zinc/51/95/38/453519538.db2.gz OPUZQFUFOPLPEB-RHSMWYFYSA-N 2 2 330.436 1.160 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655444302 453532597 /nfs/dbraw/zinc/53/25/97/453532597.db2.gz AHFPXDHWFHDYRN-GGPKGHCWSA-N 2 2 343.471 1.566 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000667330813 453564313 /nfs/dbraw/zinc/56/43/13/453564313.db2.gz MLGJHVMMSPYDCH-GOSISDBHSA-N 2 2 328.460 1.751 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000667330813 453564320 /nfs/dbraw/zinc/56/43/20/453564320.db2.gz MLGJHVMMSPYDCH-GOSISDBHSA-N 2 2 328.460 1.751 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000665110477 453577992 /nfs/dbraw/zinc/57/79/92/453577992.db2.gz FUXLBHRFOFSWRJ-HNNXBMFYSA-N 3 2 346.479 1.406 20 0 EDADLP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900251 453593032 /nfs/dbraw/zinc/59/30/32/453593032.db2.gz KTTXHPBKBTXRFV-INIZCTEOSA-N 3 2 334.508 1.275 20 0 EDADLP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900251 453593036 /nfs/dbraw/zinc/59/30/36/453593036.db2.gz KTTXHPBKBTXRFV-INIZCTEOSA-N 3 2 334.508 1.275 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899816 453593422 /nfs/dbraw/zinc/59/34/22/453593422.db2.gz HDXOLMGCNSZIAR-MJGOQNOKSA-N 3 2 344.503 1.622 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899816 453593427 /nfs/dbraw/zinc/59/34/27/453593427.db2.gz HDXOLMGCNSZIAR-MJGOQNOKSA-N 3 2 344.503 1.622 20 0 EDADLP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000659039966 453594607 /nfs/dbraw/zinc/59/46/07/453594607.db2.gz CXBRPWCKYDXGEY-PBHICJAKSA-N 2 2 341.415 1.750 20 0 EDADLP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000659039966 453594610 /nfs/dbraw/zinc/59/46/10/453594610.db2.gz CXBRPWCKYDXGEY-PBHICJAKSA-N 2 2 341.415 1.750 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000660856547 453615173 /nfs/dbraw/zinc/61/51/73/453615173.db2.gz OSYNVSIQTMWSAQ-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000660856547 453615176 /nfs/dbraw/zinc/61/51/76/453615176.db2.gz OSYNVSIQTMWSAQ-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660856547 453615179 /nfs/dbraw/zinc/61/51/79/453615179.db2.gz OSYNVSIQTMWSAQ-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660856547 453615183 /nfs/dbraw/zinc/61/51/83/453615183.db2.gz OSYNVSIQTMWSAQ-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000665232327 453617700 /nfs/dbraw/zinc/61/77/00/453617700.db2.gz KYMHLAJNWDHOQL-VDZJLULYSA-N 2 2 336.476 1.735 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000665271053 453631091 /nfs/dbraw/zinc/63/10/91/453631091.db2.gz GFFURDLNAUBJEU-DLBZAZTESA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000665271053 453631096 /nfs/dbraw/zinc/63/10/96/453631096.db2.gz GFFURDLNAUBJEU-DLBZAZTESA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000665271053 453631098 /nfs/dbraw/zinc/63/10/98/453631098.db2.gz GFFURDLNAUBJEU-DLBZAZTESA-N 3 2 339.528 1.186 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000665271053 453631099 /nfs/dbraw/zinc/63/10/99/453631099.db2.gz GFFURDLNAUBJEU-DLBZAZTESA-N 3 2 339.528 1.186 20 0 EDADLP NC(=O)c1csc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000665273184 453632689 /nfs/dbraw/zinc/63/26/89/453632689.db2.gz RCWGLRZUPBTNLQ-SJCJKPOMSA-N 2 2 344.440 1.588 20 0 EDADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000665291372 453637910 /nfs/dbraw/zinc/63/79/10/453637910.db2.gz AALKGHXXJRJSRA-ZDUSSCGKSA-N 2 2 338.415 1.737 20 0 EDADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291148 453638335 /nfs/dbraw/zinc/63/83/35/453638335.db2.gz VLEJNDCCRLHVSH-CZUORRHYSA-N 3 2 333.480 1.774 20 0 EDADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(OCC[NH+](C)C)c1 ZINC000665290889 453638365 /nfs/dbraw/zinc/63/83/65/453638365.db2.gz NVURJPKZFJMYAX-ZDUSSCGKSA-N 3 2 345.447 1.432 20 0 EDADLP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659107948 453639920 /nfs/dbraw/zinc/63/99/20/453639920.db2.gz GBEOCSDJWPAYFM-GFCCVEGCSA-N 2 2 329.404 1.346 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000665339992 453657157 /nfs/dbraw/zinc/65/71/57/453657157.db2.gz RWEQKENDJKKPFV-UHFFFAOYSA-N 2 2 349.479 1.441 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665339992 453657162 /nfs/dbraw/zinc/65/71/62/453657162.db2.gz RWEQKENDJKKPFV-UHFFFAOYSA-N 2 2 349.479 1.441 20 0 EDADLP COc1cccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000657070873 453661287 /nfs/dbraw/zinc/66/12/87/453661287.db2.gz ATWMIHWSOFSLAX-AWEZNQCLSA-N 2 2 343.493 1.246 20 0 EDADLP COc1cccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657070873 453661290 /nfs/dbraw/zinc/66/12/90/453661290.db2.gz ATWMIHWSOFSLAX-AWEZNQCLSA-N 2 2 343.493 1.246 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665357561 453665251 /nfs/dbraw/zinc/66/52/51/453665251.db2.gz PQTFCQRYDDRXTI-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665357561 453665257 /nfs/dbraw/zinc/66/52/57/453665257.db2.gz PQTFCQRYDDRXTI-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1cc(F)c(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657090377 453673186 /nfs/dbraw/zinc/67/31/86/453673186.db2.gz CYQUMIPRXAGUKZ-UHFFFAOYSA-N 2 2 349.447 1.435 20 0 EDADLP Cc1cc(F)c(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657090377 453673189 /nfs/dbraw/zinc/67/31/89/453673189.db2.gz CYQUMIPRXAGUKZ-UHFFFAOYSA-N 2 2 349.447 1.435 20 0 EDADLP Cc1ccc(CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000657092129 453675001 /nfs/dbraw/zinc/67/50/01/453675001.db2.gz QQPIHEXUTMAIAV-UHFFFAOYSA-N 2 2 341.521 1.606 20 0 EDADLP Cc1ccc(CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000657092129 453675005 /nfs/dbraw/zinc/67/50/05/453675005.db2.gz QQPIHEXUTMAIAV-UHFFFAOYSA-N 2 2 341.521 1.606 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000659292997 453704991 /nfs/dbraw/zinc/70/49/91/453704991.db2.gz TWCJIQVEZFJJKH-ZOBUZTSGSA-N 2 2 349.475 1.987 20 0 EDADLP C[NH+](C)C1(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000665521264 453730653 /nfs/dbraw/zinc/73/06/53/453730653.db2.gz OYDCBMPVBBOEFE-UHFFFAOYSA-N 2 2 345.443 1.196 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000663302859 453762312 /nfs/dbraw/zinc/76/23/12/453762312.db2.gz AGWGZVYRFQBVHV-DOTOQJQBSA-N 2 2 325.497 1.863 20 0 EDADLP c1[nH+]c2n(c1C[NH2+][C@@H](Cc1ccccc1)CN1CCOCC1)CCC2 ZINC000657357265 453774308 /nfs/dbraw/zinc/77/43/08/453774308.db2.gz UUZBZPVMTYWSRC-SFHVURJKSA-N 2 2 340.471 1.862 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657401867 453782354 /nfs/dbraw/zinc/78/23/54/453782354.db2.gz YTOIPCYHDSAMLP-RBUKOAKNSA-N 3 2 341.459 1.735 20 0 EDADLP CC[NH+]1CCC(CNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663418600 453792904 /nfs/dbraw/zinc/79/29/04/453792904.db2.gz IHVXDAQQRGQJMT-UHFFFAOYSA-N 2 2 333.480 1.972 20 0 EDADLP CC[NH+]1CCC(CNc2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663418600 453792908 /nfs/dbraw/zinc/79/29/08/453792908.db2.gz IHVXDAQQRGQJMT-UHFFFAOYSA-N 2 2 333.480 1.972 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000663446584 453800800 /nfs/dbraw/zinc/80/08/00/453800800.db2.gz PQPPSINANZKTDY-HUUCEWRRSA-N 2 2 326.485 1.268 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000663446584 453800803 /nfs/dbraw/zinc/80/08/03/453800803.db2.gz PQPPSINANZKTDY-HUUCEWRRSA-N 2 2 326.485 1.268 20 0 EDADLP Cc1[nH]ncc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663509491 453813117 /nfs/dbraw/zinc/81/31/17/453813117.db2.gz AMALDQBYVLHRQB-AWEZNQCLSA-N 2 2 329.452 1.230 20 0 EDADLP Cc1[nH]ncc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663509491 453813118 /nfs/dbraw/zinc/81/31/18/453813118.db2.gz AMALDQBYVLHRQB-AWEZNQCLSA-N 2 2 329.452 1.230 20 0 EDADLP c1cc(N2CCN(c3cc(N4CCSCC4)[nH+]cn3)CC2)cc[nH+]1 ZINC000683383064 486702590 /nfs/dbraw/zinc/70/25/90/486702590.db2.gz QESRXODRCRDNEP-UHFFFAOYSA-N 2 2 342.472 1.751 20 0 EDADLP c1cc(N2CCN(c3cc(N4CCSCC4)nc[nH+]3)CC2)cc[nH+]1 ZINC000683383064 486702593 /nfs/dbraw/zinc/70/25/93/486702593.db2.gz QESRXODRCRDNEP-UHFFFAOYSA-N 2 2 342.472 1.751 20 0 EDADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680328853 486752139 /nfs/dbraw/zinc/75/21/39/486752139.db2.gz JPFOPYQCMTZWBQ-IRXDYDNUSA-N 2 2 332.473 1.965 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415637882 486758621 /nfs/dbraw/zinc/75/86/21/486758621.db2.gz KIGOTRFVOAIHHB-ZFWWWQNUSA-N 2 2 341.415 1.412 20 0 EDADLP C[NH2+]CCN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416977743 486790605 /nfs/dbraw/zinc/79/06/05/486790605.db2.gz BMIAQWSZXFMMFT-KBPBESRZSA-N 2 2 335.452 1.056 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000672943128 486849505 /nfs/dbraw/zinc/84/95/05/486849505.db2.gz VZLXVMPJIZWERJ-BRWVUGGUSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3OCCc4ccccc43)C2)CC1 ZINC000676730792 486857289 /nfs/dbraw/zinc/85/72/89/486857289.db2.gz URXLCNOOOJYZDE-APWZRJJASA-N 2 2 343.471 1.585 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3OCCc4ccccc43)C2)CC1 ZINC000676730792 486857291 /nfs/dbraw/zinc/85/72/91/486857291.db2.gz URXLCNOOOJYZDE-APWZRJJASA-N 2 2 343.471 1.585 20 0 EDADLP C[NH+]1CCN(c2cc(CNC(=O)C(C)(C)c3c[nH]c[nH+]3)ccn2)CC1 ZINC000683918800 486868352 /nfs/dbraw/zinc/86/83/52/486868352.db2.gz ZYXUJLXSWNOOCS-UHFFFAOYSA-N 2 2 342.447 1.151 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccnn2CC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000667683511 486912801 /nfs/dbraw/zinc/91/28/01/486912801.db2.gz SCOHMAAFZFYQHG-LPHOPBHVSA-N 2 2 331.508 1.751 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccnn2CC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000667683511 486912803 /nfs/dbraw/zinc/91/28/03/486912803.db2.gz SCOHMAAFZFYQHG-LPHOPBHVSA-N 2 2 331.508 1.751 20 0 EDADLP CN(C(=O)N[C@@H]1CCCSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217572 486977623 /nfs/dbraw/zinc/97/76/23/486977623.db2.gz RMUNIUHDBFVLTM-GDBMZVCRSA-N 2 2 340.537 1.692 20 0 EDADLP CN(C(=O)N[C@@H]1CCCSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217572 486977630 /nfs/dbraw/zinc/97/76/30/486977630.db2.gz RMUNIUHDBFVLTM-GDBMZVCRSA-N 2 2 340.537 1.692 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C ZINC000677171480 486993353 /nfs/dbraw/zinc/99/33/53/486993353.db2.gz GJHUUKBXBMLNGX-OAHLLOKOSA-N 2 2 333.480 1.185 20 0 EDADLP CC[N@H+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C ZINC000677171480 486993358 /nfs/dbraw/zinc/99/33/58/486993358.db2.gz GJHUUKBXBMLNGX-OAHLLOKOSA-N 2 2 333.480 1.185 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[nH+]c12 ZINC000667867397 486997070 /nfs/dbraw/zinc/99/70/70/486997070.db2.gz IBEZRAXRGOCYDU-GFCCVEGCSA-N 2 2 343.353 1.764 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000677184354 487000099 /nfs/dbraw/zinc/00/00/99/487000099.db2.gz ZKJAVVCQKFZIAY-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CC[N@H+]1CCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000677184354 487000105 /nfs/dbraw/zinc/00/01/05/487000105.db2.gz ZKJAVVCQKFZIAY-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000677184354 487000110 /nfs/dbraw/zinc/00/01/10/487000110.db2.gz ZKJAVVCQKFZIAY-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000677184354 487000114 /nfs/dbraw/zinc/00/01/14/487000114.db2.gz ZKJAVVCQKFZIAY-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673517392 487040046 /nfs/dbraw/zinc/04/00/46/487040046.db2.gz VWOOZDROHIAJQD-LSDHHAIUSA-N 2 2 328.416 1.012 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000673517392 487040049 /nfs/dbraw/zinc/04/00/49/487040049.db2.gz VWOOZDROHIAJQD-LSDHHAIUSA-N 2 2 328.416 1.012 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673529870 487048766 /nfs/dbraw/zinc/04/87/66/487048766.db2.gz BCVXYFSYBJJQPM-ROUUACIJSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000673529870 487048770 /nfs/dbraw/zinc/04/87/70/487048770.db2.gz BCVXYFSYBJJQPM-ROUUACIJSA-N 2 2 349.450 1.363 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000673630113 487072050 /nfs/dbraw/zinc/07/20/50/487072050.db2.gz KCAAHEKRJFQBBB-QBUQCISBSA-N 2 2 343.471 1.565 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000673630113 487072058 /nfs/dbraw/zinc/07/20/58/487072058.db2.gz KCAAHEKRJFQBBB-QBUQCISBSA-N 2 2 343.471 1.565 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000677416112 487074787 /nfs/dbraw/zinc/07/47/87/487074787.db2.gz DSWKGVQIXPFVCP-HOCLYGCPSA-N 2 2 340.489 1.588 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668162701 487126541 /nfs/dbraw/zinc/12/65/41/487126541.db2.gz FYNJOGABCGTNFA-OAHLLOKOSA-N 2 2 333.436 1.857 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)CC[NH+](C)C ZINC000668176450 487130403 /nfs/dbraw/zinc/13/04/03/487130403.db2.gz VXZJKQQAVOPXEU-UHFFFAOYSA-N 3 2 330.480 1.583 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)CC[NH+](C)C ZINC000668176450 487130410 /nfs/dbraw/zinc/13/04/10/487130410.db2.gz VXZJKQQAVOPXEU-UHFFFAOYSA-N 3 2 330.480 1.583 20 0 EDADLP CN(C)[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1c[nH+]cn1C ZINC000684835060 487173923 /nfs/dbraw/zinc/17/39/23/487173923.db2.gz IABMOBSVNXRRST-QGZVFWFLSA-N 2 2 335.496 1.603 20 0 EDADLP CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000677886952 487191085 /nfs/dbraw/zinc/19/10/85/487191085.db2.gz XWHZLXTXZMDANT-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000677886952 487191086 /nfs/dbraw/zinc/19/10/86/487191086.db2.gz XWHZLXTXZMDANT-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C1CC[NH+](C)CC1 ZINC000681873855 487213370 /nfs/dbraw/zinc/21/33/70/487213370.db2.gz MRAMGERHXCAVGQ-YSVLISHTSA-N 2 2 349.479 1.670 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000674372877 487247593 /nfs/dbraw/zinc/24/75/93/487247593.db2.gz DMEWLKSLOOPSCG-UHFFFAOYSA-N 3 2 331.464 1.332 20 0 EDADLP COc1ccc(O)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681993059 487273561 /nfs/dbraw/zinc/27/35/61/487273561.db2.gz AUIIXOVPGIPTEW-CYBMUJFWSA-N 2 2 333.432 1.299 20 0 EDADLP COc1ccc(O)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681993059 487273564 /nfs/dbraw/zinc/27/35/64/487273564.db2.gz AUIIXOVPGIPTEW-CYBMUJFWSA-N 2 2 333.432 1.299 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000685585002 487299501 /nfs/dbraw/zinc/29/95/01/487299501.db2.gz LURKIJYRKZLIIB-UHFFFAOYSA-N 2 2 325.453 1.851 20 0 EDADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000678592296 487339551 /nfs/dbraw/zinc/33/95/51/487339551.db2.gz PEZHZIFLAFKZHM-IRXDYDNUSA-N 2 2 346.475 1.282 20 0 EDADLP CC(C)n1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682500251 487377215 /nfs/dbraw/zinc/37/72/15/487377215.db2.gz QKOQGKCNCOQVOX-QGZVFWFLSA-N 2 2 333.480 1.705 20 0 EDADLP CC(C)n1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682500251 487377216 /nfs/dbraw/zinc/37/72/16/487377216.db2.gz QKOQGKCNCOQVOX-QGZVFWFLSA-N 2 2 333.480 1.705 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000682537600 487384293 /nfs/dbraw/zinc/38/42/93/487384293.db2.gz IRKZLUAZXYTLIC-QGZVFWFLSA-N 2 2 326.444 1.866 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000679062077 487390063 /nfs/dbraw/zinc/39/00/63/487390063.db2.gz BGYVDUWIAOADOO-CZUORRHYSA-N 2 2 333.480 1.766 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000682915079 487430724 /nfs/dbraw/zinc/43/07/24/487430724.db2.gz LEKUQVXYTWHYIE-WBVHZDCISA-N 2 2 341.459 1.951 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1Cc1ccccc1 ZINC000682915079 487430725 /nfs/dbraw/zinc/43/07/25/487430725.db2.gz LEKUQVXYTWHYIE-WBVHZDCISA-N 2 2 341.459 1.951 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)ccn1 ZINC000679724459 487461923 /nfs/dbraw/zinc/46/19/23/487461923.db2.gz XKGQZGMXRUTXQD-UHFFFAOYSA-N 2 2 342.399 1.320 20 0 EDADLP O=C(NCC[NH2+]C1CC1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000669523891 485492159 /nfs/dbraw/zinc/49/21/59/485492159.db2.gz BSRRRXHAZMKHKI-UHFFFAOYSA-N 2 2 327.432 1.677 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000670987587 485614003 /nfs/dbraw/zinc/61/40/03/485614003.db2.gz XZIJOCZHSQSUHQ-FUHWJXTLSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000670987587 485614008 /nfs/dbraw/zinc/61/40/08/485614008.db2.gz XZIJOCZHSQSUHQ-FUHWJXTLSA-N 2 2 349.519 1.963 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673669449 485629170 /nfs/dbraw/zinc/62/91/70/485629170.db2.gz QRUFWTPRHVWOBX-INIZCTEOSA-N 2 2 334.489 1.211 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673669449 485629176 /nfs/dbraw/zinc/62/91/76/485629176.db2.gz QRUFWTPRHVWOBX-INIZCTEOSA-N 2 2 334.489 1.211 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CC1 ZINC000669584367 485634715 /nfs/dbraw/zinc/63/47/15/485634715.db2.gz XXXCPWZESDDJID-GVDBMIGSSA-N 2 2 339.443 1.926 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn2c(n1)CCCC2 ZINC000337808434 485690305 /nfs/dbraw/zinc/69/03/05/485690305.db2.gz MGGDOFNOCLGWLK-UHFFFAOYSA-N 2 2 333.480 1.317 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn2c(n1)CCCC2 ZINC000337808434 485690312 /nfs/dbraw/zinc/69/03/12/485690312.db2.gz MGGDOFNOCLGWLK-UHFFFAOYSA-N 2 2 333.480 1.317 20 0 EDADLP COC(=O)c1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000603318527 485706228 /nfs/dbraw/zinc/70/62/28/485706228.db2.gz FKAVPVXLEOCRNI-SJPCQFCGSA-N 2 2 344.459 1.615 20 0 EDADLP COC(=O)c1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000603318527 485706234 /nfs/dbraw/zinc/70/62/34/485706234.db2.gz FKAVPVXLEOCRNI-SJPCQFCGSA-N 2 2 344.459 1.615 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)NC/C=C\C[NH3+])[NH+]2CCOCC2)c1 ZINC000669276672 485915909 /nfs/dbraw/zinc/91/59/09/485915909.db2.gz UICNTNVMMRZLTM-BAHPRDJBSA-N 2 2 332.448 1.182 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC(C)C)[NH+]2CCOCC2)cc1 ZINC000236719060 485935168 /nfs/dbraw/zinc/93/51/68/485935168.db2.gz KNYQQPGVLZVLON-QZTJIDSGSA-N 2 2 333.476 1.858 20 0 EDADLP CN(C(=O)c1c(Cl)cnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617426 485956771 /nfs/dbraw/zinc/95/67/71/485956771.db2.gz KQTWGGOEWXMHEG-ZDUSSCGKSA-N 2 2 339.871 1.314 20 0 EDADLP CN(C(=O)c1c(Cl)cnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617426 485956777 /nfs/dbraw/zinc/95/67/77/485956777.db2.gz KQTWGGOEWXMHEG-ZDUSSCGKSA-N 2 2 339.871 1.314 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)C2CC[NH+](CC(F)F)CC2)cn1 ZINC000672818440 485965346 /nfs/dbraw/zinc/96/53/46/485965346.db2.gz RQQBTYHPUJJKNG-UHFFFAOYSA-N 2 2 329.395 1.360 20 0 EDADLP [NH3+]C1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000237894062 486015234 /nfs/dbraw/zinc/01/52/34/486015234.db2.gz RXYFUCJWMOHWGJ-MSOLQXFVSA-N 2 2 343.471 1.760 20 0 EDADLP [NH3+]C1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCCCC1 ZINC000237894062 486015239 /nfs/dbraw/zinc/01/52/39/486015239.db2.gz RXYFUCJWMOHWGJ-MSOLQXFVSA-N 2 2 343.471 1.760 20 0 EDADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000669409069 486096726 /nfs/dbraw/zinc/09/67/26/486096726.db2.gz OFTQACDXTBONID-XJKSGUPXSA-N 2 2 329.404 1.130 20 0 EDADLP Cc1[nH+]cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C ZINC000668156367 486180906 /nfs/dbraw/zinc/18/09/06/486180906.db2.gz NUQHFQASYHNKMW-UHFFFAOYSA-N 3 2 347.507 1.543 20 0 EDADLP CC[N@H+](CCCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000668809930 486218971 /nfs/dbraw/zinc/21/89/71/486218971.db2.gz ZRNUFHTXISUIPE-WBVHZDCISA-N 2 2 334.464 1.661 20 0 EDADLP CC[N@@H+](CCCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000668809930 486218974 /nfs/dbraw/zinc/21/89/74/486218974.db2.gz ZRNUFHTXISUIPE-WBVHZDCISA-N 2 2 334.464 1.661 20 0 EDADLP O=C(NCC[NH2+]C1CC1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000668849466 486258776 /nfs/dbraw/zinc/25/87/76/486258776.db2.gz NNYPNCPOOMDSKX-QGZVFWFLSA-N 2 2 332.448 1.111 20 0 EDADLP CN(C)C(=O)c1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000669504837 486285768 /nfs/dbraw/zinc/28/57/68/486285768.db2.gz XODJKNSVVVMFJU-GOSISDBHSA-N 2 2 344.503 1.600 20 0 EDADLP CN(C)C(=O)c1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000669504837 486285774 /nfs/dbraw/zinc/28/57/74/486285774.db2.gz XODJKNSVVVMFJU-GOSISDBHSA-N 2 2 344.503 1.600 20 0 EDADLP CN(C)c1nc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000671471630 486555937 /nfs/dbraw/zinc/55/59/37/486555937.db2.gz BUYAVLCDRFKSCG-WMLDXEAASA-N 2 2 343.479 1.795 20 0 EDADLP CN(C)c1nc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000671471630 486555944 /nfs/dbraw/zinc/55/59/44/486555944.db2.gz BUYAVLCDRFKSCG-WMLDXEAASA-N 2 2 343.479 1.795 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000184069520 533910100 /nfs/dbraw/zinc/91/01/00/533910100.db2.gz JVJKOUVLGIOWBA-SJLPKXTDSA-N 2 2 332.492 1.432 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000184069520 533910113 /nfs/dbraw/zinc/91/01/13/533910113.db2.gz JVJKOUVLGIOWBA-SJLPKXTDSA-N 2 2 332.492 1.432 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@@H](C)O1 ZINC000164051018 534437167 /nfs/dbraw/zinc/43/71/67/534437167.db2.gz VVASMODAUQXYSB-RKVPGOIHSA-N 2 2 345.487 1.877 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188694610 527169273 /nfs/dbraw/zinc/16/92/73/527169273.db2.gz XJLIOBGGPQCFMK-UHFFFAOYSA-N 2 2 341.415 1.140 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cnn(C)c1 ZINC000132632919 527908939 /nfs/dbraw/zinc/90/89/39/527908939.db2.gz NYVZIMMLCZPFAF-SFHVURJKSA-N 2 2 343.475 1.661 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cnn(C)c1 ZINC000132632919 527908946 /nfs/dbraw/zinc/90/89/46/527908946.db2.gz NYVZIMMLCZPFAF-SFHVURJKSA-N 2 2 343.475 1.661 20 0 EDADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1)C1CC1 ZINC000131405635 527924335 /nfs/dbraw/zinc/92/43/35/527924335.db2.gz ZKBYBVMPTIGEEB-QGZVFWFLSA-N 2 2 344.459 1.559 20 0 EDADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1)C1CC1 ZINC000131405635 527924341 /nfs/dbraw/zinc/92/43/41/527924341.db2.gz ZKBYBVMPTIGEEB-QGZVFWFLSA-N 2 2 344.459 1.559 20 0 EDADLP CC[NH+](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)C1CC1 ZINC000131405635 527924346 /nfs/dbraw/zinc/92/43/46/527924346.db2.gz ZKBYBVMPTIGEEB-QGZVFWFLSA-N 2 2 344.459 1.559 20 0 EDADLP CC[NH+](CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)C1CC1 ZINC000131405635 527924349 /nfs/dbraw/zinc/92/43/49/527924349.db2.gz ZKBYBVMPTIGEEB-QGZVFWFLSA-N 2 2 344.459 1.559 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000171908254 528739791 /nfs/dbraw/zinc/73/97/91/528739791.db2.gz RDLJTJTXHQYKKV-UHFFFAOYSA-N 2 2 345.447 1.506 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2CO)CC1 ZINC000130826422 528994517 /nfs/dbraw/zinc/99/45/17/528994517.db2.gz SIWPSRDAGVLSFQ-IBGZPJMESA-N 2 2 345.487 1.567 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2CO)CC1 ZINC000130826422 528994523 /nfs/dbraw/zinc/99/45/23/528994523.db2.gz SIWPSRDAGVLSFQ-IBGZPJMESA-N 2 2 345.487 1.567 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000236818931 535046672 /nfs/dbraw/zinc/04/66/72/535046672.db2.gz ROTISSXZBSJTGD-IBGZPJMESA-N 2 2 346.519 1.958 20 0 EDADLP CC(C)(CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000333451302 535111411 /nfs/dbraw/zinc/11/14/11/535111411.db2.gz XOAUALWYPJBQKA-JKSUJKDBSA-N 2 2 338.496 1.128 20 0 EDADLP CCCCNC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352714686 535279984 /nfs/dbraw/zinc/27/99/84/535279984.db2.gz MPYXZRFGXZYOLC-UHFFFAOYSA-N 2 2 346.519 1.652 20 0 EDADLP CC(C)[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000352885283 535310414 /nfs/dbraw/zinc/31/04/14/535310414.db2.gz SKTAAJFAZIVDBA-LJQANCHMSA-N 2 2 349.475 1.454 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261790856 535406898 /nfs/dbraw/zinc/40/68/98/535406898.db2.gz NPPMXUOAUOAUBV-AUUYWEPGSA-N 2 2 349.475 1.942 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261790856 535406900 /nfs/dbraw/zinc/40/69/00/535406900.db2.gz NPPMXUOAUOAUBV-AUUYWEPGSA-N 2 2 349.475 1.942 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000339944397 535588439 /nfs/dbraw/zinc/58/84/39/535588439.db2.gz NECBXDUYNBTQFT-HNNXBMFYSA-N 2 2 349.479 1.448 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000246288369 535763200 /nfs/dbraw/zinc/76/32/00/535763200.db2.gz ALNRTHQYWBHICS-HKUYNNGSSA-N 2 2 346.519 1.679 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000246288369 535763205 /nfs/dbraw/zinc/76/32/05/535763205.db2.gz ALNRTHQYWBHICS-HKUYNNGSSA-N 2 2 346.519 1.679 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000353080807 536365996 /nfs/dbraw/zinc/36/59/96/536365996.db2.gz QSOKYFVLQGBNSR-UHFFFAOYSA-N 2 2 333.358 1.681 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000353080807 536365994 /nfs/dbraw/zinc/36/59/94/536365994.db2.gz QSOKYFVLQGBNSR-UHFFFAOYSA-N 2 2 333.358 1.681 20 0 EDADLP C[N@H+](CCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000264901758 536380838 /nfs/dbraw/zinc/38/08/38/536380838.db2.gz UYQIIMFFRMKMAA-GOSISDBHSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@@H+](CCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1)C1CC1 ZINC000264901758 536380840 /nfs/dbraw/zinc/38/08/40/536380840.db2.gz UYQIIMFFRMKMAA-GOSISDBHSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000264901758 536380841 /nfs/dbraw/zinc/38/08/41/536380841.db2.gz UYQIIMFFRMKMAA-GOSISDBHSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000264901758 536380842 /nfs/dbraw/zinc/38/08/42/536380842.db2.gz UYQIIMFFRMKMAA-GOSISDBHSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+](CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000352656921 536381667 /nfs/dbraw/zinc/38/16/67/536381667.db2.gz QVQUBLAEMCITBB-UHFFFAOYSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@@H+](CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC000352656921 536381670 /nfs/dbraw/zinc/38/16/70/536381670.db2.gz QVQUBLAEMCITBB-UHFFFAOYSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@H+](CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000352662723 536381853 /nfs/dbraw/zinc/38/18/53/536381853.db2.gz CDYOQQCRVMUQHD-UHFFFAOYSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@@H+](CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000352662723 536381857 /nfs/dbraw/zinc/38/18/57/536381857.db2.gz CDYOQQCRVMUQHD-UHFFFAOYSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCOCC4)cn3)[C@@H]2C1 ZINC000347974704 536462787 /nfs/dbraw/zinc/46/27/87/536462787.db2.gz SFXOMPHLSMNDHX-SJLPKXTDSA-N 2 2 344.459 1.080 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCOCC4)cn3)[C@@H]2C1 ZINC000347974704 536462789 /nfs/dbraw/zinc/46/27/89/536462789.db2.gz SFXOMPHLSMNDHX-SJLPKXTDSA-N 2 2 344.459 1.080 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000353323428 536898711 /nfs/dbraw/zinc/89/87/11/536898711.db2.gz ZRVGSDCXTWZEEL-YXWQFLTLSA-N 2 2 340.439 1.955 20 0 EDADLP C[C@@H]1Cc2ccccc2C[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000742157483 579437035 /nfs/dbraw/zinc/43/70/35/579437035.db2.gz ASOGZSXPOUKJFS-CQSZACIVSA-N 2 2 342.443 1.407 20 0 EDADLP C[C@@H]1Cc2ccccc2C[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000742157483 579437037 /nfs/dbraw/zinc/43/70/37/579437037.db2.gz ASOGZSXPOUKJFS-CQSZACIVSA-N 2 2 342.443 1.407 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)[C@H](C)C3)cc2F)CC1 ZINC000742196693 579439819 /nfs/dbraw/zinc/43/98/19/579439819.db2.gz XVIGHSDTDAWJQZ-OAHLLOKOSA-N 2 2 348.466 1.744 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)cc2F)CC1 ZINC000742196693 579439820 /nfs/dbraw/zinc/43/98/20/579439820.db2.gz XVIGHSDTDAWJQZ-OAHLLOKOSA-N 2 2 348.466 1.744 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000726256715 578339261 /nfs/dbraw/zinc/33/92/61/578339261.db2.gz MLANBFXCDSHWRN-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000726256715 578339262 /nfs/dbraw/zinc/33/92/62/578339262.db2.gz MLANBFXCDSHWRN-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)CCO1 ZINC000726256715 578339263 /nfs/dbraw/zinc/33/92/63/578339263.db2.gz MLANBFXCDSHWRN-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)CCO1 ZINC000726256715 578339264 /nfs/dbraw/zinc/33/92/64/578339264.db2.gz MLANBFXCDSHWRN-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726258296 578339756 /nfs/dbraw/zinc/33/97/56/578339756.db2.gz WEBKXAJATIKMFG-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726258296 578339757 /nfs/dbraw/zinc/33/97/57/578339757.db2.gz WEBKXAJATIKMFG-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000726258296 578339758 /nfs/dbraw/zinc/33/97/58/578339758.db2.gz WEBKXAJATIKMFG-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000726258296 578339759 /nfs/dbraw/zinc/33/97/59/578339759.db2.gz WEBKXAJATIKMFG-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000729618709 578585073 /nfs/dbraw/zinc/58/50/73/578585073.db2.gz GELBXXBXBIDWCI-QGZVFWFLSA-N 2 2 334.464 1.220 20 0 EDADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000729618709 578585075 /nfs/dbraw/zinc/58/50/75/578585075.db2.gz GELBXXBXBIDWCI-QGZVFWFLSA-N 2 2 334.464 1.220 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732779468 578727835 /nfs/dbraw/zinc/72/78/35/578727835.db2.gz SSFZUDWFUCYVDZ-MRXNPFEDSA-N 3 2 333.480 1.256 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732779468 578727837 /nfs/dbraw/zinc/72/78/37/578727837.db2.gz SSFZUDWFUCYVDZ-MRXNPFEDSA-N 3 2 333.480 1.256 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4c(cc3O)OCO4)C2)CC1 ZINC000732833721 578732472 /nfs/dbraw/zinc/73/24/72/578732472.db2.gz FTDXAZZSIBSHHI-LBPRGKRZSA-N 2 2 347.415 1.019 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4c(cc3O)OCO4)C2)CC1 ZINC000732833721 578732473 /nfs/dbraw/zinc/73/24/73/578732473.db2.gz FTDXAZZSIBSHHI-LBPRGKRZSA-N 2 2 347.415 1.019 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)NC1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000734281114 578805037 /nfs/dbraw/zinc/80/50/37/578805037.db2.gz YPOBJVRALOYGBX-OAHLLOKOSA-N 2 2 347.463 1.131 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000761101436 580048143 /nfs/dbraw/zinc/04/81/43/580048143.db2.gz XLKZXICHWQJMAL-QAPCUYQASA-N 2 2 329.444 1.229 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000761101436 580048144 /nfs/dbraw/zinc/04/81/44/580048144.db2.gz XLKZXICHWQJMAL-QAPCUYQASA-N 2 2 329.444 1.229 20 0 EDADLP CCCCC[C@@H](O)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746255019 579582320 /nfs/dbraw/zinc/58/23/20/579582320.db2.gz WEOQRSMZPBJFRM-DOTOQJQBSA-N 2 2 325.497 1.602 20 0 EDADLP CCCCC[C@@H](O)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746255019 579582321 /nfs/dbraw/zinc/58/23/21/579582321.db2.gz WEOQRSMZPBJFRM-DOTOQJQBSA-N 2 2 325.497 1.602 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000746298026 579585600 /nfs/dbraw/zinc/58/56/00/579585600.db2.gz DNRPLPJCSMDCQM-CJNGLKHVSA-N 2 2 328.416 1.634 20 0 EDADLP CC[C@]1(C(C)C)NC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000746630971 579604169 /nfs/dbraw/zinc/60/41/69/579604169.db2.gz FYGKQWWQHGCAIG-QGZVFWFLSA-N 2 2 335.452 1.828 20 0 EDADLP CC[C@]1(C(C)C)NC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000746630971 579604170 /nfs/dbraw/zinc/60/41/70/579604170.db2.gz FYGKQWWQHGCAIG-QGZVFWFLSA-N 2 2 335.452 1.828 20 0 EDADLP NC(=[NH+]OC[C@H]1CCOC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000747835027 579660264 /nfs/dbraw/zinc/66/02/64/579660264.db2.gz ZLHZGYLJUQTSGF-AWEZNQCLSA-N 2 2 333.432 1.526 20 0 EDADLP O=C(CC[NH+]1CCOCC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000750852476 579783942 /nfs/dbraw/zinc/78/39/42/579783942.db2.gz MIAJVOBCIWUNEI-MRXNPFEDSA-N 2 2 335.448 1.645 20 0 EDADLP O=C(OCCC[NH+]1CCOCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000750889843 579786175 /nfs/dbraw/zinc/78/61/75/579786175.db2.gz GRPGUIJKVWXCKT-UHFFFAOYSA-N 2 2 348.443 1.398 20 0 EDADLP O=C1CC2(CN1C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CCOCC2 ZINC000753099537 579872549 /nfs/dbraw/zinc/87/25/49/579872549.db2.gz BGODDPCGTQEBPJ-QGZVFWFLSA-N 2 2 335.492 1.781 20 0 EDADLP O=C1CC2(CN1C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)CCOCC2 ZINC000753099537 579872550 /nfs/dbraw/zinc/87/25/50/579872550.db2.gz BGODDPCGTQEBPJ-QGZVFWFLSA-N 2 2 335.492 1.781 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3C[C@H](C4CC4)CC3=O)CC2)CC1 ZINC000762498673 580076047 /nfs/dbraw/zinc/07/60/47/580076047.db2.gz AOXWEWFWGWFLAF-GOSISDBHSA-N 2 2 348.535 1.693 20 0 EDADLP CNc1ncc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000764632588 580125165 /nfs/dbraw/zinc/12/51/65/580125165.db2.gz MSJOMZZBPUZPHI-CYBMUJFWSA-N 2 2 337.493 1.425 20 0 EDADLP CNc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000764632588 580125166 /nfs/dbraw/zinc/12/51/66/580125166.db2.gz MSJOMZZBPUZPHI-CYBMUJFWSA-N 2 2 337.493 1.425 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000764772952 580128477 /nfs/dbraw/zinc/12/84/77/580128477.db2.gz GBUXNUWPBGYBSP-UHFFFAOYSA-N 2 2 346.475 1.031 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)C2=O ZINC000766120810 580159635 /nfs/dbraw/zinc/15/96/35/580159635.db2.gz UBBVXDAZLIZDGS-LLVKDONJSA-N 2 2 348.369 1.234 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](CC(F)(F)F)C1)C2=O ZINC000766120810 580159636 /nfs/dbraw/zinc/15/96/36/580159636.db2.gz UBBVXDAZLIZDGS-LLVKDONJSA-N 2 2 348.369 1.234 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000766930932 580177398 /nfs/dbraw/zinc/17/73/98/580177398.db2.gz AYAWWUAMTRZLGB-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000766930932 580177399 /nfs/dbraw/zinc/17/73/99/580177399.db2.gz AYAWWUAMTRZLGB-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP COCCOC[C@@H](C)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000776221361 580411643 /nfs/dbraw/zinc/41/16/43/580411643.db2.gz VWSPORWSPHEDRG-QGZVFWFLSA-N 2 2 328.497 1.910 20 0 EDADLP O=c1sccn1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779876846 580500683 /nfs/dbraw/zinc/50/06/83/580500683.db2.gz BAFCCBKRPRMOHG-UHFFFAOYSA-N 2 2 325.478 1.692 20 0 EDADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000783249219 580596546 /nfs/dbraw/zinc/59/65/46/580596546.db2.gz AQBJDXOUPNAYPH-OAGGEKHMSA-N 2 2 331.464 1.670 20 0 EDADLP CCOC(=O)CC1CC[NH+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783972414 580609620 /nfs/dbraw/zinc/60/96/20/580609620.db2.gz LXXAWEFLFFQZSH-HNNXBMFYSA-N 2 2 348.447 1.359 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)C1 ZINC000783991364 580610669 /nfs/dbraw/zinc/61/06/69/580610669.db2.gz FVGULQJIMWWQDX-DLBZAZTESA-N 2 2 339.443 1.653 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)C1 ZINC000783991364 580610670 /nfs/dbraw/zinc/61/06/70/580610670.db2.gz FVGULQJIMWWQDX-DLBZAZTESA-N 2 2 339.443 1.653 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995685 580611211 /nfs/dbraw/zinc/61/12/11/580611211.db2.gz LHTHNMNFVKXNQX-JKSUJKDBSA-N 2 2 333.480 1.357 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000786233613 580664763 /nfs/dbraw/zinc/66/47/63/580664763.db2.gz XOAGDVFASGQBEU-INIZCTEOSA-N 2 2 348.491 1.311 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000786233613 580664764 /nfs/dbraw/zinc/66/47/64/580664764.db2.gz XOAGDVFASGQBEU-INIZCTEOSA-N 2 2 348.491 1.311 20 0 EDADLP C[N@H+](CCON=C(N)C[NH+]1CCSCC1)Cc1ccc(F)cc1 ZINC000786748079 580678044 /nfs/dbraw/zinc/67/80/44/580678044.db2.gz LNKGLHILRINIHC-UHFFFAOYSA-N 2 2 340.468 1.805 20 0 EDADLP C[N@@H+](CCON=C(N)C[NH+]1CCSCC1)Cc1ccc(F)cc1 ZINC000786748079 580678045 /nfs/dbraw/zinc/67/80/45/580678045.db2.gz LNKGLHILRINIHC-UHFFFAOYSA-N 2 2 340.468 1.805 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=S)NCC(C)(C)C[NH+](C)C ZINC000788334208 580717539 /nfs/dbraw/zinc/71/75/39/580717539.db2.gz RKXMDHFRRDHNJG-AWEZNQCLSA-N 2 2 330.542 1.101 20 0 EDADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000794662349 580901879 /nfs/dbraw/zinc/90/18/79/580901879.db2.gz RGFMLDWSRUIDAD-UTUOFQBUSA-N 2 2 330.354 1.966 20 0 EDADLP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000794662349 580901880 /nfs/dbraw/zinc/90/18/80/580901880.db2.gz RGFMLDWSRUIDAD-UTUOFQBUSA-N 2 2 330.354 1.966 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000795131814 580914051 /nfs/dbraw/zinc/91/40/51/580914051.db2.gz PJIOIGBVBSQNGI-OAGGEKHMSA-N 2 2 340.537 1.140 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000795131814 580914052 /nfs/dbraw/zinc/91/40/52/580914052.db2.gz PJIOIGBVBSQNGI-OAGGEKHMSA-N 2 2 340.537 1.140 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000799138806 581018348 /nfs/dbraw/zinc/01/83/48/581018348.db2.gz PROINPMLZNPUAZ-FZKQIMNGSA-N 2 2 345.447 1.524 20 0 EDADLP CC(C)[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000799138806 581018349 /nfs/dbraw/zinc/01/83/49/581018349.db2.gz PROINPMLZNPUAZ-FZKQIMNGSA-N 2 2 345.447 1.524 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799301852 581024625 /nfs/dbraw/zinc/02/46/25/581024625.db2.gz XCLYVNOKERCHBF-WMZOPIPTSA-N 2 2 336.455 1.356 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799301852 581024626 /nfs/dbraw/zinc/02/46/26/581024626.db2.gz XCLYVNOKERCHBF-WMZOPIPTSA-N 2 2 336.455 1.356 20 0 EDADLP C[C@H]1C[N@H+](CCOC(=O)CC[NH+]2CCc3ccccc3C2)CCO1 ZINC000800221835 581048161 /nfs/dbraw/zinc/04/81/61/581048161.db2.gz YLMHAJFTFRBWTG-INIZCTEOSA-N 2 2 332.444 1.699 20 0 EDADLP C[C@H]1C[N@@H+](CCOC(=O)CC[NH+]2CCc3ccccc3C2)CCO1 ZINC000800221835 581048162 /nfs/dbraw/zinc/04/81/62/581048162.db2.gz YLMHAJFTFRBWTG-INIZCTEOSA-N 2 2 332.444 1.699 20 0 EDADLP C[C@H]1C[NH+](CCOC(=O)CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000800221835 581048163 /nfs/dbraw/zinc/04/81/63/581048163.db2.gz YLMHAJFTFRBWTG-INIZCTEOSA-N 2 2 332.444 1.699 20 0 EDADLP C[C@H]1C[NH+](CCOC(=O)CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000800221835 581048164 /nfs/dbraw/zinc/04/81/64/581048164.db2.gz YLMHAJFTFRBWTG-INIZCTEOSA-N 2 2 332.444 1.699 20 0 EDADLP C[C@@H](O)c1cccc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000891830334 590643236 /nfs/dbraw/zinc/64/32/36/590643236.db2.gz FTOGLGRJVWESQG-CQSZACIVSA-N 2 2 332.448 1.125 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCc3sc(C[NH3+])nc3C2)c[nH+]1 ZINC000891941778 590698111 /nfs/dbraw/zinc/69/81/11/590698111.db2.gz DKHGOOFFXRQPFW-UHFFFAOYSA-N 2 2 331.445 1.882 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000892115817 590807624 /nfs/dbraw/zinc/80/76/24/590807624.db2.gz UJDTWVWKHJRECV-XHSDSOJGSA-N 2 2 328.428 1.274 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000892115817 590807629 /nfs/dbraw/zinc/80/76/29/590807629.db2.gz UJDTWVWKHJRECV-XHSDSOJGSA-N 2 2 328.428 1.274 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC000890996209 590901352 /nfs/dbraw/zinc/90/13/52/590901352.db2.gz AXCGIRWEGCAIJF-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC000890996209 590901356 /nfs/dbraw/zinc/90/13/56/590901356.db2.gz AXCGIRWEGCAIJF-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP [NH3+]C1(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CCOCC1 ZINC000892282305 590911699 /nfs/dbraw/zinc/91/16/99/590911699.db2.gz PVWPZJUFBWJHIQ-MRXNPFEDSA-N 2 2 343.431 1.432 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000909397157 590942074 /nfs/dbraw/zinc/94/20/74/590942074.db2.gz OGPFJXQLFCHPGI-DLBZAZTESA-N 2 2 336.524 1.536 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000909397157 590942079 /nfs/dbraw/zinc/94/20/79/590942079.db2.gz OGPFJXQLFCHPGI-DLBZAZTESA-N 2 2 336.524 1.536 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892393389 591008543 /nfs/dbraw/zinc/00/85/43/591008543.db2.gz GKEJIHSNYUHIRO-OAHLLOKOSA-N 2 2 348.495 1.026 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(N)nc(C(F)(F)F)n3)C2)CC1 ZINC000892490719 591047239 /nfs/dbraw/zinc/04/72/39/591047239.db2.gz YCNJPIFPOQUEGW-SECBINFHSA-N 2 2 345.373 1.053 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(N)nc(C(F)(F)F)n3)C2)CC1 ZINC000892490719 591047243 /nfs/dbraw/zinc/04/72/43/591047243.db2.gz YCNJPIFPOQUEGW-SECBINFHSA-N 2 2 345.373 1.053 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891346874 591053319 /nfs/dbraw/zinc/05/33/19/591053319.db2.gz GCPPOUPGSGSKNN-UHFFFAOYSA-N 2 2 346.460 1.331 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892513900 591055041 /nfs/dbraw/zinc/05/50/41/591055041.db2.gz OUURCPRQLYFSKR-DZGCQCFKSA-N 2 2 349.504 1.514 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891364005 591061755 /nfs/dbraw/zinc/06/17/55/591061755.db2.gz OLMKZIZPQWRPQQ-OAHLLOKOSA-N 2 2 347.463 1.342 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000891463437 591080232 /nfs/dbraw/zinc/08/02/32/591080232.db2.gz XUGZMZLHJQJJBZ-GDBMZVCRSA-N 3 2 337.512 1.114 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000891473500 591083409 /nfs/dbraw/zinc/08/34/09/591083409.db2.gz XAAACMNJSPAWBS-AWEZNQCLSA-N 2 2 326.485 1.175 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000891473500 591083413 /nfs/dbraw/zinc/08/34/13/591083413.db2.gz XAAACMNJSPAWBS-AWEZNQCLSA-N 2 2 326.485 1.175 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])C2)c1 ZINC000892610080 591094070 /nfs/dbraw/zinc/09/40/70/591094070.db2.gz ZJJLWLOUHJMCPS-RDJZCZTQSA-N 2 2 334.464 1.184 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])C2)c1 ZINC000892610080 591094076 /nfs/dbraw/zinc/09/40/76/591094076.db2.gz ZJJLWLOUHJMCPS-RDJZCZTQSA-N 2 2 334.464 1.184 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000892615274 591097691 /nfs/dbraw/zinc/09/76/91/591097691.db2.gz PNCYARPNHKOMDL-MJGOQNOKSA-N 2 2 328.460 1.958 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000892615274 591097696 /nfs/dbraw/zinc/09/76/96/591097696.db2.gz PNCYARPNHKOMDL-MJGOQNOKSA-N 2 2 328.460 1.958 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000891541651 591114613 /nfs/dbraw/zinc/11/46/13/591114613.db2.gz LGLRJWJAEUHKOL-NJAFHUGGSA-N 2 2 346.475 1.061 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000892731256 591151666 /nfs/dbraw/zinc/15/16/66/591151666.db2.gz OFOYBUHXVNYVQN-GHMZBOCLSA-N 2 2 331.342 1.291 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000892731256 591151669 /nfs/dbraw/zinc/15/16/69/591151669.db2.gz OFOYBUHXVNYVQN-GHMZBOCLSA-N 2 2 331.342 1.291 20 0 EDADLP C[C@@H](O)c1cccc(NCCC[NH+]2CCN(c3ncccn3)CC2)[nH+]1 ZINC000891683681 591183567 /nfs/dbraw/zinc/18/35/67/591183567.db2.gz FQFAJWJBHYWYTC-OAHLLOKOSA-N 2 2 342.447 1.549 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000892837960 591200472 /nfs/dbraw/zinc/20/04/72/591200472.db2.gz JDNQNSWUMYYNNX-HIFRSBDPSA-N 2 2 345.447 1.551 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000892837685 591200536 /nfs/dbraw/zinc/20/05/36/591200536.db2.gz FGZMRXAWHIXFOR-ZACQAIPSSA-N 2 2 340.512 1.469 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892861657 591206380 /nfs/dbraw/zinc/20/63/80/591206380.db2.gz SVZZDSLMEBWQQS-UHFFFAOYSA-N 2 2 348.491 1.958 20 0 EDADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[NH+](C3CCC3)CC1)C2 ZINC000892882672 591213891 /nfs/dbraw/zinc/21/38/91/591213891.db2.gz OQQHJCATJBICLP-UHFFFAOYSA-N 2 2 335.477 1.250 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1c(I)cnn1C ZINC000894174077 591216642 /nfs/dbraw/zinc/21/66/42/591216642.db2.gz OLSULGDCWHXXBU-SECBINFHSA-N 2 2 345.188 1.400 20 0 EDADLP CNC(=O)C[NH+]1CCC(Nc2cc(C3CC3)[nH+]c(C3CC3)n2)CC1 ZINC000891767099 591217417 /nfs/dbraw/zinc/21/74/17/591217417.db2.gz AYELHRKEIZDFTR-UHFFFAOYSA-N 2 2 329.448 1.854 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH2+]Cc3c[nH+]c[nH]3)cc2)C[C@H](C)O1 ZINC000894203287 591226649 /nfs/dbraw/zinc/22/66/49/591226649.db2.gz BHCQWOMVKWJUGF-OKILXGFUSA-N 2 2 328.416 1.949 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000895632361 591236616 /nfs/dbraw/zinc/23/66/16/591236616.db2.gz OLJUHDPDPIIRSZ-OTVXOJSOSA-N 2 2 327.469 1.336 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895903405 591300297 /nfs/dbraw/zinc/30/02/97/591300297.db2.gz NXSZYOKGRVCBBO-KRWDZBQOSA-N 2 2 344.459 1.409 20 0 EDADLP CCc1nnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)s1 ZINC000894425706 591308464 /nfs/dbraw/zinc/30/84/64/591308464.db2.gz PLKXLVHHLYAVJE-YHWZYXNKSA-N 2 2 337.493 1.274 20 0 EDADLP CCc1nnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)s1 ZINC000894425706 591308467 /nfs/dbraw/zinc/30/84/67/591308467.db2.gz PLKXLVHHLYAVJE-YHWZYXNKSA-N 2 2 337.493 1.274 20 0 EDADLP COC[C@@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894619377 591368917 /nfs/dbraw/zinc/36/89/17/591368917.db2.gz OOFHIISNTOZXGT-GFCCVEGCSA-N 2 2 332.347 1.167 20 0 EDADLP C[NH+]1CCN([C@H](C(=O)N2CC([NH+]3CCCC3)C2)c2ccccc2)CC1 ZINC000898609647 591436917 /nfs/dbraw/zinc/43/69/17/591436917.db2.gz CPKKMFNRULSLAE-IBGZPJMESA-N 2 2 342.487 1.282 20 0 EDADLP C/C(=C\C(=O)N1CC[NH2+][C@H](c2ccccc2)C1)C[NH+]1CCOCC1 ZINC000909411988 591445765 /nfs/dbraw/zinc/44/57/65/591445765.db2.gz SGFFINKEDHVYFT-QCUIPMNBSA-N 2 2 329.444 1.438 20 0 EDADLP Cn1c[nH+]c(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1 ZINC000898633436 591455116 /nfs/dbraw/zinc/45/51/16/591455116.db2.gz ZEHMGNROPULOPU-UHFFFAOYSA-N 2 2 333.411 1.833 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000898676576 591472058 /nfs/dbraw/zinc/47/20/58/591472058.db2.gz PYCMUZNSTRWYGQ-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000898676576 591472060 /nfs/dbraw/zinc/47/20/60/591472060.db2.gz PYCMUZNSTRWYGQ-DOTOQJQBSA-N 2 2 338.496 1.128 20 0 EDADLP COc1cccc(C[NH+]2CCN(c3cc(N(C)C)[nH+]cn3)CC2)c1 ZINC000894996413 591517994 /nfs/dbraw/zinc/51/79/94/591517994.db2.gz FGSPVEOJHGKQJR-UHFFFAOYSA-N 2 2 327.432 1.873 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000897548125 591547092 /nfs/dbraw/zinc/54/70/92/591547092.db2.gz ADAJZDJOASBBNX-IRXDYDNUSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000897548125 591547093 /nfs/dbraw/zinc/54/70/93/591547093.db2.gz ADAJZDJOASBBNX-IRXDYDNUSA-N 2 2 338.496 1.225 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000898961301 591618247 /nfs/dbraw/zinc/61/82/47/591618247.db2.gz ZTVRJZJXXQPAQG-HNNXBMFYSA-N 2 2 343.431 1.259 20 0 EDADLP Cc1cc(NCCNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)nc(C(C)C)[nH+]1 ZINC000899135465 591704374 /nfs/dbraw/zinc/70/43/74/591704374.db2.gz CQNCQONBXNXTSG-OAHLLOKOSA-N 2 2 347.463 1.157 20 0 EDADLP C[C@H](Cc1cccnc1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000897969637 591726740 /nfs/dbraw/zinc/72/67/40/591726740.db2.gz LYMQYHFESLJZIB-QGZVFWFLSA-N 2 2 332.492 1.399 20 0 EDADLP C[C@H](Cc1cccnc1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000897969637 591726742 /nfs/dbraw/zinc/72/67/42/591726742.db2.gz LYMQYHFESLJZIB-QGZVFWFLSA-N 2 2 332.492 1.399 20 0 EDADLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000899251997 591750179 /nfs/dbraw/zinc/75/01/79/591750179.db2.gz FXJPXFLPEQTZCX-GJYPPUQNSA-N 2 2 327.428 1.198 20 0 EDADLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000899251997 591750183 /nfs/dbraw/zinc/75/01/83/591750183.db2.gz FXJPXFLPEQTZCX-GJYPPUQNSA-N 2 2 327.428 1.198 20 0 EDADLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000899251997 591750187 /nfs/dbraw/zinc/75/01/87/591750187.db2.gz FXJPXFLPEQTZCX-GJYPPUQNSA-N 2 2 327.428 1.198 20 0 EDADLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000899251997 591750191 /nfs/dbraw/zinc/75/01/91/591750191.db2.gz FXJPXFLPEQTZCX-GJYPPUQNSA-N 2 2 327.428 1.198 20 0 EDADLP O=c1c(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cccn1C(F)F ZINC000897228301 591779164 /nfs/dbraw/zinc/77/91/64/591779164.db2.gz JUNBPAQTEUTULS-AWEZNQCLSA-N 2 2 327.375 1.586 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000895552387 591798844 /nfs/dbraw/zinc/79/88/44/591798844.db2.gz VSXOXLLTIAUKEI-UHFFFAOYSA-N 2 2 334.439 1.714 20 0 EDADLP O=c1cc(N2CC[C@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)nc[nH]1 ZINC000898156715 591806196 /nfs/dbraw/zinc/80/61/96/591806196.db2.gz FXHZNZBHEOIGRM-LBPRGKRZSA-N 2 2 342.428 1.798 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC(Cc4ccoc4)C3)cn2)CC1 ZINC000898160781 591808115 /nfs/dbraw/zinc/80/81/15/591808115.db2.gz TVHJVUACRFZYJR-UHFFFAOYSA-N 2 2 327.432 1.496 20 0 EDADLP Cc1[nH]c(C2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)[nH+]c1C ZINC000899507957 591834428 /nfs/dbraw/zinc/83/44/28/591834428.db2.gz IPXCSGZLUFRSDC-INIZCTEOSA-N 2 2 331.464 1.122 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000899808092 591945258 /nfs/dbraw/zinc/94/52/58/591945258.db2.gz AKWAQSVXOIVOAR-HUUCEWRRSA-N 2 2 325.416 1.578 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CN1C[C@@]2(CCCOC2)C1=O ZINC000902377918 591984337 /nfs/dbraw/zinc/98/43/37/591984337.db2.gz UESCSNYMDHJQQT-MAUKXSAKSA-N 2 2 330.432 1.189 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CN1C[C@@]2(CCCOC2)C1=O ZINC000902377918 591984339 /nfs/dbraw/zinc/98/43/39/591984339.db2.gz UESCSNYMDHJQQT-MAUKXSAKSA-N 2 2 330.432 1.189 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000900363119 591995683 /nfs/dbraw/zinc/99/56/83/591995683.db2.gz UGFHAJYZSDQCPU-LBPRGKRZSA-N 2 2 332.379 1.810 20 0 EDADLP O=S(=O)(CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)N1CCCC1 ZINC000902454700 591999078 /nfs/dbraw/zinc/99/90/78/591999078.db2.gz SQWRYOXIMGTLIO-IRXDYDNUSA-N 2 2 337.489 1.495 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC([C@@H]3CCC[NH2+]CC3)CC2)nc[nH+]1 ZINC000900383191 592002593 /nfs/dbraw/zinc/00/25/93/592002593.db2.gz ZPGUCFNMRBMZPO-HUUCEWRRSA-N 2 2 333.480 1.875 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC([C@@H]3CCC[NH2+]CC3)CC2)[nH+]cn1 ZINC000900383191 592002595 /nfs/dbraw/zinc/00/25/95/592002595.db2.gz ZPGUCFNMRBMZPO-HUUCEWRRSA-N 2 2 333.480 1.875 20 0 EDADLP CCn1cc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1 ZINC000902727605 592053114 /nfs/dbraw/zinc/05/31/14/592053114.db2.gz XXTABENGDNITOA-INIZCTEOSA-N 2 2 344.419 1.197 20 0 EDADLP C/C(=C/C(=O)N1CC[N@@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000900572685 592055613 /nfs/dbraw/zinc/05/56/13/592055613.db2.gz OBAFLYMWUUGXTB-SSZFMOIBSA-N 2 2 329.444 1.744 20 0 EDADLP C/C(=C/C(=O)N1CC[N@H+](C)Cc2ccccc21)C[NH+]1CCOCC1 ZINC000900572685 592055616 /nfs/dbraw/zinc/05/56/16/592055616.db2.gz OBAFLYMWUUGXTB-SSZFMOIBSA-N 2 2 329.444 1.744 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902777389 592061213 /nfs/dbraw/zinc/06/12/13/592061213.db2.gz XPEYMGZXWYWABR-ZBFHGGJFSA-N 2 2 348.472 1.947 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000900601093 592065086 /nfs/dbraw/zinc/06/50/86/592065086.db2.gz DMZQUXPMIBLHIN-HJUDDPQBSA-N 2 2 346.475 1.888 20 0 EDADLP C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693405 592096897 /nfs/dbraw/zinc/09/68/97/592096897.db2.gz RNFFVUUKYRVZOV-PBHICJAKSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693405 592096898 /nfs/dbraw/zinc/09/68/98/592096898.db2.gz RNFFVUUKYRVZOV-PBHICJAKSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693405 592096899 /nfs/dbraw/zinc/09/68/99/592096899.db2.gz RNFFVUUKYRVZOV-PBHICJAKSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693405 592096900 /nfs/dbraw/zinc/09/69/00/592096900.db2.gz RNFFVUUKYRVZOV-PBHICJAKSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C(=O)N1c1cnn(C)c1 ZINC000903136928 592125617 /nfs/dbraw/zinc/12/56/17/592125617.db2.gz HMOLBXFVZDHAEF-HLYZTZAFSA-N 2 2 343.475 1.661 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C(=O)N1c1cnn(C)c1 ZINC000903136928 592125619 /nfs/dbraw/zinc/12/56/19/592125619.db2.gz HMOLBXFVZDHAEF-HLYZTZAFSA-N 2 2 343.475 1.661 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CC[NH+]1C ZINC000900809938 592131540 /nfs/dbraw/zinc/13/15/40/592131540.db2.gz FPEGVTJTIJLPHB-LULLPPNCSA-N 2 2 344.503 1.082 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CC[NH+]1C ZINC000900809938 592131542 /nfs/dbraw/zinc/13/15/42/592131542.db2.gz FPEGVTJTIJLPHB-LULLPPNCSA-N 2 2 344.503 1.082 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900809938 592131544 /nfs/dbraw/zinc/13/15/44/592131544.db2.gz FPEGVTJTIJLPHB-LULLPPNCSA-N 2 2 344.503 1.082 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900809938 592131546 /nfs/dbraw/zinc/13/15/46/592131546.db2.gz FPEGVTJTIJLPHB-LULLPPNCSA-N 2 2 344.503 1.082 20 0 EDADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000903234884 592146053 /nfs/dbraw/zinc/14/60/53/592146053.db2.gz QVNCWEMSWHRYPX-QBPKDAKJSA-N 2 2 343.537 1.701 20 0 EDADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000903234884 592146054 /nfs/dbraw/zinc/14/60/54/592146054.db2.gz QVNCWEMSWHRYPX-QBPKDAKJSA-N 2 2 343.537 1.701 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000903470037 592175321 /nfs/dbraw/zinc/17/53/21/592175321.db2.gz ZRZORHRQOBKYTL-VBQJREDUSA-N 2 2 345.443 1.205 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470827 592175492 /nfs/dbraw/zinc/17/54/92/592175492.db2.gz DQQHINULKZEDPN-IAGOWNOFSA-N 3 2 330.476 1.280 20 0 EDADLP COc1ccc(CNC(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000903465211 592178638 /nfs/dbraw/zinc/17/86/38/592178638.db2.gz FOQQWOBDQGLUDM-INIZCTEOSA-N 2 2 333.432 1.194 20 0 EDADLP Cc1[nH]c(CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[nH+]c1C ZINC000900998941 592201789 /nfs/dbraw/zinc/20/17/89/592201789.db2.gz WMUPGWBGIUTSKS-UHFFFAOYSA-N 2 2 327.392 1.304 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000901083849 592227606 /nfs/dbraw/zinc/22/76/06/592227606.db2.gz ZWPOMLNMAIMOFZ-UHFFFAOYSA-N 2 2 343.475 1.757 20 0 EDADLP Cc1cccc(C)c1C[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000904439350 592261029 /nfs/dbraw/zinc/26/10/29/592261029.db2.gz MPCDBELOEUZODJ-UHFFFAOYSA-N 2 2 344.459 1.709 20 0 EDADLP Cc1cccc(C)c1C[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000904439350 592261030 /nfs/dbraw/zinc/26/10/30/592261030.db2.gz MPCDBELOEUZODJ-UHFFFAOYSA-N 2 2 344.459 1.709 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3cnc([C@H]4CCCO4)s3)C[C@H]2[NH3+])c1 ZINC000904496317 592269496 /nfs/dbraw/zinc/26/94/96/592269496.db2.gz WZGWWJXJRVUIJE-UMVBOHGHSA-N 2 2 333.461 1.655 20 0 EDADLP COc1ccc(CC[C@@H](C)[N@H+]2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)cc1O ZINC000904484589 592270521 /nfs/dbraw/zinc/27/05/21/592270521.db2.gz GZPHPQZSLOORFE-FVQBIDKESA-N 2 2 344.459 1.882 20 0 EDADLP COc1ccc(CC[C@@H](C)[N@@H+]2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)cc1O ZINC000904484589 592270525 /nfs/dbraw/zinc/27/05/25/592270525.db2.gz GZPHPQZSLOORFE-FVQBIDKESA-N 2 2 344.459 1.882 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908105515 592322474 /nfs/dbraw/zinc/32/24/74/592322474.db2.gz FWLJPNYBAAJDDW-SUMWQHHRSA-N 2 2 330.436 1.227 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)Cc1c[nH+]c[nH]1 ZINC000908105515 592322477 /nfs/dbraw/zinc/32/24/77/592322477.db2.gz FWLJPNYBAAJDDW-SUMWQHHRSA-N 2 2 330.436 1.227 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000903797663 592326210 /nfs/dbraw/zinc/32/62/10/592326210.db2.gz JBEAZFUHXDNCCG-SCLBCKFNSA-N 2 2 331.416 1.947 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000903797663 592326218 /nfs/dbraw/zinc/32/62/18/592326218.db2.gz JBEAZFUHXDNCCG-SCLBCKFNSA-N 2 2 331.416 1.947 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2nccn2C(F)F)cnn1C ZINC000903884344 592362592 /nfs/dbraw/zinc/36/25/92/592362592.db2.gz XNPZPLQUILVYET-GFCCVEGCSA-N 2 2 326.395 1.570 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2nccn2C(F)F)cnn1C ZINC000903884344 592362596 /nfs/dbraw/zinc/36/25/96/592362596.db2.gz XNPZPLQUILVYET-GFCCVEGCSA-N 2 2 326.395 1.570 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cnn1C ZINC000903896914 592368000 /nfs/dbraw/zinc/36/80/00/592368000.db2.gz BFVFWDZPXGXQGV-TZMCWYRMSA-N 2 2 347.429 1.414 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cnn1C ZINC000903896914 592368006 /nfs/dbraw/zinc/36/80/06/592368006.db2.gz BFVFWDZPXGXQGV-TZMCWYRMSA-N 2 2 347.429 1.414 20 0 EDADLP OC1(C(F)(F)F)CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903902513 592371571 /nfs/dbraw/zinc/37/15/71/592371571.db2.gz IGJSHWNEOPVKBM-LLVKDONJSA-N 2 2 333.358 1.092 20 0 EDADLP c1cc(N2CCCC2)ncc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903971427 592396817 /nfs/dbraw/zinc/39/68/17/592396817.db2.gz BAIYTAKXKXOQNB-QGZVFWFLSA-N 2 2 330.476 1.930 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC000905179676 592440982 /nfs/dbraw/zinc/44/09/82/592440982.db2.gz LJAGMUFJRFCYTL-YJBOKZPZSA-N 2 2 333.476 1.863 20 0 EDADLP COC(=O)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000907123237 592520787 /nfs/dbraw/zinc/52/07/87/592520787.db2.gz IVZZERZAEWAEJW-JKSUJKDBSA-N 2 2 339.480 1.345 20 0 EDADLP COC(=O)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000907123237 592520788 /nfs/dbraw/zinc/52/07/88/592520788.db2.gz IVZZERZAEWAEJW-JKSUJKDBSA-N 2 2 339.480 1.345 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](CO)C[C@H]3CCCO3)c2cc1C ZINC000905474064 592536088 /nfs/dbraw/zinc/53/60/88/592536088.db2.gz OEICMLOIXPIVPM-BRWVUGGUSA-N 2 2 347.459 1.534 20 0 EDADLP C/C(=C/C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1)C[NH+]1CCOCC1 ZINC000908575623 592545091 /nfs/dbraw/zinc/54/50/91/592545091.db2.gz QSNCTCBPAZIUOF-VKAVYKQESA-N 2 2 335.492 1.742 20 0 EDADLP C/C(=C/C(=O)N1CC[N@H+](C)C2(CCCCC2)C1)C[NH+]1CCOCC1 ZINC000908575623 592545094 /nfs/dbraw/zinc/54/50/94/592545094.db2.gz QSNCTCBPAZIUOF-VKAVYKQESA-N 2 2 335.492 1.742 20 0 EDADLP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1cccnc1 ZINC000905548837 592571856 /nfs/dbraw/zinc/57/18/56/592571856.db2.gz BXUXLOZSPUHUNS-ROUUACIJSA-N 2 2 335.492 1.968 20 0 EDADLP O[C@H](C[NH2+]CC1CC2(C1)OCCO2)C[N@@H+]1CCc2ccccc2C1 ZINC000905594444 592585535 /nfs/dbraw/zinc/58/55/35/592585535.db2.gz VYCLJRGKZKKSGC-GOSISDBHSA-N 2 2 332.444 1.148 20 0 EDADLP O[C@H](C[NH2+]CC1CC2(C1)OCCO2)C[N@H+]1CCc2ccccc2C1 ZINC000905594444 592585537 /nfs/dbraw/zinc/58/55/37/592585537.db2.gz VYCLJRGKZKKSGC-GOSISDBHSA-N 2 2 332.444 1.148 20 0 EDADLP c1nc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc(N2CCCC2)[nH+]1 ZINC000905705409 592617568 /nfs/dbraw/zinc/61/75/68/592617568.db2.gz WSWRXVDWPHRHLL-CALCHBBNSA-N 3 2 342.491 1.482 20 0 EDADLP c1nc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc(N2CCCC2)[nH+]1 ZINC000905705409 592617569 /nfs/dbraw/zinc/61/75/69/592617569.db2.gz WSWRXVDWPHRHLL-CALCHBBNSA-N 3 2 342.491 1.482 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)nc[nH+]2)C1 ZINC000905710920 592619571 /nfs/dbraw/zinc/61/95/71/592619571.db2.gz PWXNZWWBQAHHMD-NNYUYHANSA-N 2 2 345.369 1.010 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)co2)C1 ZINC000906201176 592758492 /nfs/dbraw/zinc/75/84/92/592758492.db2.gz XCYUKGFIHAYRLP-LZWOXQAQSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)co2)C1 ZINC000906201176 592758494 /nfs/dbraw/zinc/75/84/94/592758494.db2.gz XCYUKGFIHAYRLP-LZWOXQAQSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)co2)C1 ZINC000906201176 592758498 /nfs/dbraw/zinc/75/84/98/592758498.db2.gz XCYUKGFIHAYRLP-LZWOXQAQSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)co2)C1 ZINC000906201176 592758500 /nfs/dbraw/zinc/75/85/00/592758500.db2.gz XCYUKGFIHAYRLP-LZWOXQAQSA-N 2 2 348.447 1.252 20 0 EDADLP Cn1ccc(-n2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nn2)n1 ZINC000906254809 592765187 /nfs/dbraw/zinc/76/51/87/592765187.db2.gz QSCAWKDEQAVKTN-UHFFFAOYSA-N 2 2 329.452 1.309 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000910441215 592863866 /nfs/dbraw/zinc/86/38/66/592863866.db2.gz JYINGSRJJFOQGZ-SJLPKXTDSA-N 2 2 342.443 1.606 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC000910441215 592863867 /nfs/dbraw/zinc/86/38/67/592863867.db2.gz JYINGSRJJFOQGZ-SJLPKXTDSA-N 2 2 342.443 1.606 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000910441215 592863869 /nfs/dbraw/zinc/86/38/69/592863869.db2.gz JYINGSRJJFOQGZ-SJLPKXTDSA-N 2 2 342.443 1.606 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1c[nH+]c[nH]1 ZINC000910441215 592863870 /nfs/dbraw/zinc/86/38/70/592863870.db2.gz JYINGSRJJFOQGZ-SJLPKXTDSA-N 2 2 342.443 1.606 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000910874866 592899199 /nfs/dbraw/zinc/89/91/99/592899199.db2.gz FJSQZDBGOBXEQD-UHFFFAOYSA-N 2 2 334.464 1.435 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000910874866 592899200 /nfs/dbraw/zinc/89/92/00/592899200.db2.gz FJSQZDBGOBXEQD-UHFFFAOYSA-N 2 2 334.464 1.435 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCCCCCC1CC[NH2+]CC1 ZINC000911404827 592913446 /nfs/dbraw/zinc/91/34/46/592913446.db2.gz SOOHTHHGVCCEDS-UHFFFAOYSA-N 2 2 335.452 1.044 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=S)NCCC[NH+]1CCOCC1 ZINC000735244756 592979575 /nfs/dbraw/zinc/97/95/75/592979575.db2.gz BLIJWNMDTIVYEF-JKSUJKDBSA-N 2 2 340.537 1.142 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=S)NCCC[NH+]1CCOCC1 ZINC000735244756 592979576 /nfs/dbraw/zinc/97/95/76/592979576.db2.gz BLIJWNMDTIVYEF-JKSUJKDBSA-N 2 2 340.537 1.142 20 0 EDADLP NC(=[NH+]OCC1CCOCC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000735488168 592985343 /nfs/dbraw/zinc/98/53/43/592985343.db2.gz HRDMSCCRXNWDDQ-UHFFFAOYSA-N 2 2 347.459 1.916 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(C)[nH+]1 ZINC000911705328 592991607 /nfs/dbraw/zinc/99/16/07/592991607.db2.gz KPOKYMOONKXGDM-INIZCTEOSA-N 2 2 344.459 1.291 20 0 EDADLP C[NH+]1CCC(N(CCO)C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000911945314 593037158 /nfs/dbraw/zinc/03/71/58/593037158.db2.gz FTCDAHMSSPDBND-UHFFFAOYSA-N 2 2 344.415 1.107 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000838632473 593198703 /nfs/dbraw/zinc/19/87/03/593198703.db2.gz GOCNBMSRKTZOCC-HOTGVXAUSA-N 2 2 343.431 1.939 20 0 EDADLP CC[N@H+](CCOC)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839973030 593268723 /nfs/dbraw/zinc/26/87/23/593268723.db2.gz BJTKYXXEELDORS-CALCHBBNSA-N 2 2 345.443 1.029 20 0 EDADLP CC[N@@H+](CCOC)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839973030 593268725 /nfs/dbraw/zinc/26/87/25/593268725.db2.gz BJTKYXXEELDORS-CALCHBBNSA-N 2 2 345.443 1.029 20 0 EDADLP CC[NH+](CCOC)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839973030 593268727 /nfs/dbraw/zinc/26/87/27/593268727.db2.gz BJTKYXXEELDORS-CALCHBBNSA-N 2 2 345.443 1.029 20 0 EDADLP CC[NH+](CCOC)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000839973030 593268729 /nfs/dbraw/zinc/26/87/29/593268729.db2.gz BJTKYXXEELDORS-CALCHBBNSA-N 2 2 345.443 1.029 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809611027 593350266 /nfs/dbraw/zinc/35/02/66/593350266.db2.gz NZOPDVVFSRLVKU-UHFFFAOYSA-N 2 2 327.450 1.389 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2Cc3cccnc3C2=O)C1 ZINC000840015814 593361567 /nfs/dbraw/zinc/36/15/67/593361567.db2.gz APEJIRNMUXIEAE-INIZCTEOSA-N 2 2 332.448 1.428 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2Cc3cccnc3C2=O)C1 ZINC000840015814 593361569 /nfs/dbraw/zinc/36/15/69/593361569.db2.gz APEJIRNMUXIEAE-INIZCTEOSA-N 2 2 332.448 1.428 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=S)NC[C@H]2CCCCO2)CC1 ZINC000758241932 593397975 /nfs/dbraw/zinc/39/79/75/593397975.db2.gz WNNZJRVXVBNEJP-OAHLLOKOSA-N 2 2 328.526 1.046 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000811471479 593471542 /nfs/dbraw/zinc/47/15/42/593471542.db2.gz CQBIYQFDLZFKLT-GOSISDBHSA-N 2 2 343.487 1.768 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811471479 593471543 /nfs/dbraw/zinc/47/15/43/593471543.db2.gz CQBIYQFDLZFKLT-GOSISDBHSA-N 2 2 343.487 1.768 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811471479 593471544 /nfs/dbraw/zinc/47/15/44/593471544.db2.gz CQBIYQFDLZFKLT-GOSISDBHSA-N 2 2 343.487 1.768 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000811759712 593479402 /nfs/dbraw/zinc/47/94/02/593479402.db2.gz RIMFZSUBKFVHPC-NCOADZHNSA-N 2 2 335.492 1.776 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000811759712 593479403 /nfs/dbraw/zinc/47/94/03/593479403.db2.gz RIMFZSUBKFVHPC-NCOADZHNSA-N 2 2 335.492 1.776 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000811759712 593479404 /nfs/dbraw/zinc/47/94/04/593479404.db2.gz RIMFZSUBKFVHPC-NCOADZHNSA-N 2 2 335.492 1.776 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@H]21 ZINC000811759712 593479405 /nfs/dbraw/zinc/47/94/05/593479405.db2.gz RIMFZSUBKFVHPC-NCOADZHNSA-N 2 2 335.492 1.776 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000813329267 593526779 /nfs/dbraw/zinc/52/67/79/593526779.db2.gz ZXSAEPUYZYGKGV-ZBFHGGJFSA-N 2 2 327.432 1.392 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000813329267 593526780 /nfs/dbraw/zinc/52/67/80/593526780.db2.gz ZXSAEPUYZYGKGV-ZBFHGGJFSA-N 2 2 327.432 1.392 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000813569223 593540864 /nfs/dbraw/zinc/54/08/64/593540864.db2.gz ZMFHLXNGOQHGBR-SFHVURJKSA-N 2 2 340.431 1.505 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000813569223 593540867 /nfs/dbraw/zinc/54/08/67/593540867.db2.gz ZMFHLXNGOQHGBR-SFHVURJKSA-N 2 2 340.431 1.505 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896836 593646766 /nfs/dbraw/zinc/64/67/66/593646766.db2.gz WBIVZPOFFFKVCT-LERXQTSPSA-N 2 2 326.824 1.732 20 0 EDADLP COc1cccc([C@@H](C[NH2+]CCC(=O)N(C)OC)[NH+]2CCCC2)c1 ZINC000818942665 593729247 /nfs/dbraw/zinc/72/92/47/593729247.db2.gz NKAJJXBYOLGMJW-QGZVFWFLSA-N 2 2 335.448 1.832 20 0 EDADLP Cc1ccc(NC[C@@H](O)C[NH+]2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000819445053 593755009 /nfs/dbraw/zinc/75/50/09/593755009.db2.gz MXYAXPHZXSGGBZ-MRXNPFEDSA-N 2 2 337.464 1.040 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000820753140 593882089 /nfs/dbraw/zinc/88/20/89/593882089.db2.gz WXMGIRXDYREOGL-MLGOLLRUSA-N 2 2 337.431 1.977 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000820753140 593882090 /nfs/dbraw/zinc/88/20/90/593882090.db2.gz WXMGIRXDYREOGL-MLGOLLRUSA-N 2 2 337.431 1.977 20 0 EDADLP C[NH+]1CCC(CNC(=O)NOCC2CCC2)([NH+]2CCCCC2)CC1 ZINC000824061348 593921354 /nfs/dbraw/zinc/92/13/54/593921354.db2.gz JNUUKINXEACYBY-UHFFFAOYSA-N 2 2 338.496 1.968 20 0 EDADLP C[C@@H](CCCO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824402614 594003561 /nfs/dbraw/zinc/00/35/61/594003561.db2.gz XNNQAUQUROQFOV-AWEZNQCLSA-N 2 2 344.463 1.582 20 0 EDADLP Cn1cc(C[NH2+]CCC[NH+](C)C)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825865373 594265259 /nfs/dbraw/zinc/26/52/59/594265259.db2.gz BDSDYAXCDFOXOB-UHFFFAOYSA-N 2 2 340.435 1.309 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCCCCn2cc[nH+]c2)C[C@@H]1C ZINC000825873645 594266583 /nfs/dbraw/zinc/26/65/83/594266583.db2.gz YBTGHPPTIUBTAH-IYBDPMFKSA-N 2 2 337.468 1.414 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCCCCn2cc[nH+]c2)C[C@@H]1C ZINC000825873645 594266584 /nfs/dbraw/zinc/26/65/84/594266584.db2.gz YBTGHPPTIUBTAH-IYBDPMFKSA-N 2 2 337.468 1.414 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825937955 594285723 /nfs/dbraw/zinc/28/57/23/594285723.db2.gz LFJJALKENAZZRH-UHFFFAOYSA-N 2 2 346.420 1.085 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825937955 594285724 /nfs/dbraw/zinc/28/57/24/594285724.db2.gz LFJJALKENAZZRH-UHFFFAOYSA-N 2 2 346.420 1.085 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000828067066 594334102 /nfs/dbraw/zinc/33/41/02/594334102.db2.gz AREMDASCCSASPP-GXTWGEPZSA-N 2 2 334.291 1.809 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000828067066 594334103 /nfs/dbraw/zinc/33/41/03/594334103.db2.gz AREMDASCCSASPP-GXTWGEPZSA-N 2 2 334.291 1.809 20 0 EDADLP CC(=O)N[C@](C)(C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C(C)C ZINC000828141583 594349899 /nfs/dbraw/zinc/34/98/99/594349899.db2.gz QPABMCDRXMMRFQ-SFHVURJKSA-N 2 2 347.463 1.323 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000826167746 594358749 /nfs/dbraw/zinc/35/87/49/594358749.db2.gz PKQUCJAIBIKLBS-CYBMUJFWSA-N 2 2 330.436 1.649 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000826167746 594358751 /nfs/dbraw/zinc/35/87/51/594358751.db2.gz PKQUCJAIBIKLBS-CYBMUJFWSA-N 2 2 330.436 1.649 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000826167746 594358754 /nfs/dbraw/zinc/35/87/54/594358754.db2.gz PKQUCJAIBIKLBS-CYBMUJFWSA-N 2 2 330.436 1.649 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000826167746 594358756 /nfs/dbraw/zinc/35/87/56/594358756.db2.gz PKQUCJAIBIKLBS-CYBMUJFWSA-N 2 2 330.436 1.649 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C3([NH+](C)C)CC3)C2)c1 ZINC000826552291 594523904 /nfs/dbraw/zinc/52/39/04/594523904.db2.gz YWESJRLQRMQKFW-QGZVFWFLSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C3([NH+](C)C)CC3)C2)c1 ZINC000826552291 594523906 /nfs/dbraw/zinc/52/39/06/594523906.db2.gz YWESJRLQRMQKFW-QGZVFWFLSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000826562756 594526835 /nfs/dbraw/zinc/52/68/35/594526835.db2.gz BLPYAIBKVUHZOA-ROUUACIJSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000826562756 594526838 /nfs/dbraw/zinc/52/68/38/594526838.db2.gz BLPYAIBKVUHZOA-ROUUACIJSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC000826562756 594526840 /nfs/dbraw/zinc/52/68/40/594526840.db2.gz BLPYAIBKVUHZOA-ROUUACIJSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC000826562756 594526842 /nfs/dbraw/zinc/52/68/42/594526842.db2.gz BLPYAIBKVUHZOA-ROUUACIJSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC000826600201 594537121 /nfs/dbraw/zinc/53/71/21/594537121.db2.gz ZUCKPEDPHZGSPW-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000826600201 594537122 /nfs/dbraw/zinc/53/71/22/594537122.db2.gz ZUCKPEDPHZGSPW-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000826600201 594537123 /nfs/dbraw/zinc/53/71/23/594537123.db2.gz ZUCKPEDPHZGSPW-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000826600201 594537124 /nfs/dbraw/zinc/53/71/24/594537124.db2.gz ZUCKPEDPHZGSPW-MOPGFXCFSA-N 2 2 345.487 1.796 20 0 EDADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1c[nH+]c3n1CCC3)CO2 ZINC000827061412 594632701 /nfs/dbraw/zinc/63/27/01/594632701.db2.gz OQAHFXXGMTWTFG-ZDUSSCGKSA-N 2 2 348.447 1.697 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)CC[C@@H]21 ZINC000827330721 594661637 /nfs/dbraw/zinc/66/16/37/594661637.db2.gz RBZSSRWHTVGQOQ-MOPGFXCFSA-N 2 2 343.471 1.685 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)CC[C@@H]21 ZINC000827330721 594661638 /nfs/dbraw/zinc/66/16/38/594661638.db2.gz RBZSSRWHTVGQOQ-MOPGFXCFSA-N 2 2 343.471 1.685 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000827414544 594669813 /nfs/dbraw/zinc/66/98/13/594669813.db2.gz XAISQZGNNITPKS-UHFFFAOYSA-N 2 2 341.415 1.417 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(N3CCCCC3)c2)[C@H](C[NH3+])C1 ZINC000841077556 594848388 /nfs/dbraw/zinc/84/83/88/594848388.db2.gz CQTZKELCQPVLAL-QGZVFWFLSA-N 2 2 331.464 1.784 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(N3CCCCC3)c2)[C@H](C[NH3+])C1 ZINC000841077556 594848389 /nfs/dbraw/zinc/84/83/89/594848389.db2.gz CQTZKELCQPVLAL-QGZVFWFLSA-N 2 2 331.464 1.784 20 0 EDADLP Ic1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841086409 594849084 /nfs/dbraw/zinc/84/90/84/594849084.db2.gz NJOTUMZQSWZJQS-LBPRGKRZSA-N 2 2 346.212 1.759 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(CC[NH3+])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000841793730 594954191 /nfs/dbraw/zinc/95/41/91/594954191.db2.gz JOAGUHOONKDHKX-HUUCEWRRSA-N 2 2 334.464 1.096 20 0 EDADLP COc1ccccc1[C@H](NC(=O)NC[C@H](C)[NH+](C)C)c1[nH+]ccn1C ZINC000836620820 594980961 /nfs/dbraw/zinc/98/09/61/594980961.db2.gz GGHAQZFGHKTJAH-BBRMVZONSA-N 2 2 345.447 1.767 20 0 EDADLP [NH3+]CCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000841919801 594981937 /nfs/dbraw/zinc/98/19/37/594981937.db2.gz AWYUKTUGADDGLT-UHFFFAOYSA-N 2 2 346.353 1.371 20 0 EDADLP COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845614226 595032352 /nfs/dbraw/zinc/03/23/52/595032352.db2.gz JDVVWKZLBMLQTF-KFWWJZLASA-N 2 2 325.409 1.113 20 0 EDADLP COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845614226 595032356 /nfs/dbraw/zinc/03/23/56/595032356.db2.gz JDVVWKZLBMLQTF-KFWWJZLASA-N 2 2 325.409 1.113 20 0 EDADLP [NH3+]CC1CC[NH+](Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1 ZINC000843345204 595081315 /nfs/dbraw/zinc/08/13/15/595081315.db2.gz ZXHSFEBGELGHII-UHFFFAOYSA-N 2 2 338.362 1.434 20 0 EDADLP Cc1ccc(N2CCC[C@@H]([NH+]3CCN([C@H]4CC[NH2+]C4)CC3)C2=O)cc1 ZINC000843384997 595095488 /nfs/dbraw/zinc/09/54/88/595095488.db2.gz NSVLXFIRAMFPNY-RBUKOAKNSA-N 2 2 342.487 1.470 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000837489685 595123252 /nfs/dbraw/zinc/12/32/52/595123252.db2.gz HIPQMGGVQONHEM-MRXNPFEDSA-N 2 2 342.447 1.891 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000837489685 595123255 /nfs/dbraw/zinc/12/32/55/595123255.db2.gz HIPQMGGVQONHEM-MRXNPFEDSA-N 2 2 342.447 1.891 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@@H](c3[nH+]ccn3C)C1)CC2 ZINC000846017201 595123540 /nfs/dbraw/zinc/12/35/40/595123540.db2.gz DBDKLTGHOLNXPC-HUUCEWRRSA-N 2 2 327.432 1.894 20 0 EDADLP COCCn1cnn(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000121550270 595172661 /nfs/dbraw/zinc/17/26/61/595172661.db2.gz KACVFDHJNFISSY-KBPBESRZSA-N 2 2 336.465 1.798 20 0 EDADLP COCCn1cnn(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000121550270 595172663 /nfs/dbraw/zinc/17/26/63/595172663.db2.gz KACVFDHJNFISSY-KBPBESRZSA-N 2 2 336.465 1.798 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(Br)cnc1Cl ZINC000842694818 595172966 /nfs/dbraw/zinc/17/29/66/595172966.db2.gz RPEOYTNPLXIZTR-GFCCVEGCSA-N 2 2 336.661 1.900 20 0 EDADLP [NH3+]CCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000846218531 595176748 /nfs/dbraw/zinc/17/67/48/595176748.db2.gz XKNAFVHCXPQADL-UHFFFAOYSA-N 2 2 343.468 1.651 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844134322 595282600 /nfs/dbraw/zinc/28/26/00/595282600.db2.gz ISPNGKMYAWOUPM-RHSMWYFYSA-N 2 2 332.448 1.205 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](O)c3cnn(C)c3)c2cc1C ZINC000843094492 595286156 /nfs/dbraw/zinc/28/61/56/595286156.db2.gz UKIRAWJFHJQJKH-MAUKXSAKSA-N 2 2 343.431 1.071 20 0 EDADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000844167816 595289391 /nfs/dbraw/zinc/28/93/91/595289391.db2.gz QAMHVVNEWWQLEL-QGZVFWFLSA-N 2 2 328.416 1.316 20 0 EDADLP CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846670557 595297364 /nfs/dbraw/zinc/29/73/64/595297364.db2.gz FLMOZPFRKFEDKZ-IAGOWNOFSA-N 2 2 339.455 1.623 20 0 EDADLP CC(C)c1cnc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000844226320 595309526 /nfs/dbraw/zinc/30/95/26/595309526.db2.gz MOQKHZICEXWHBE-CABCVRRESA-N 2 2 347.463 1.518 20 0 EDADLP CC(C)c1cnc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000844226320 595309530 /nfs/dbraw/zinc/30/95/30/595309530.db2.gz MOQKHZICEXWHBE-CABCVRRESA-N 2 2 347.463 1.518 20 0 EDADLP COCC[N@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844687302 595373358 /nfs/dbraw/zinc/37/33/58/595373358.db2.gz VMIMYODLUUBSIT-ROUUACIJSA-N 2 2 331.460 1.503 20 0 EDADLP COCC[N@@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844687302 595373359 /nfs/dbraw/zinc/37/33/59/595373359.db2.gz VMIMYODLUUBSIT-ROUUACIJSA-N 2 2 331.460 1.503 20 0 EDADLP COCC[NH+](C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844687302 595373361 /nfs/dbraw/zinc/37/33/61/595373361.db2.gz VMIMYODLUUBSIT-ROUUACIJSA-N 2 2 331.460 1.503 20 0 EDADLP COCC[NH+](C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844687302 595373363 /nfs/dbraw/zinc/37/33/63/595373363.db2.gz VMIMYODLUUBSIT-ROUUACIJSA-N 2 2 331.460 1.503 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000847304732 595391304 /nfs/dbraw/zinc/39/13/04/595391304.db2.gz ABBMAWPYHNJGBV-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000847304732 595391307 /nfs/dbraw/zinc/39/13/07/595391307.db2.gz ABBMAWPYHNJGBV-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP c1cn(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cn2)cn1 ZINC000848518307 595402064 /nfs/dbraw/zinc/40/20/64/595402064.db2.gz JYEVGSXATSDFIE-KRWDZBQOSA-N 2 2 327.432 1.610 20 0 EDADLP c1cn(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cn2)c[nH+]1 ZINC000848518307 595402066 /nfs/dbraw/zinc/40/20/66/595402066.db2.gz JYEVGSXATSDFIE-KRWDZBQOSA-N 3 2 327.432 1.610 20 0 EDADLP CC1(C)C[C@H]([NH2+]CCCN2CCNC(=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000848557372 595404993 /nfs/dbraw/zinc/40/49/93/595404993.db2.gz IPVUSDZYZGJWDI-SFHVURJKSA-N 2 2 344.503 1.451 20 0 EDADLP CC1(C)C[C@H]([NH2+]CCCN2CCNC(=O)C2)C[N@H+]1Cc1ccccc1 ZINC000848557372 595404995 /nfs/dbraw/zinc/40/49/95/595404995.db2.gz IPVUSDZYZGJWDI-SFHVURJKSA-N 2 2 344.503 1.451 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H]4[C@@H](C3)C4(F)F)CC2)CC1 ZINC000844937411 595416676 /nfs/dbraw/zinc/41/66/76/595416676.db2.gz VIXWXJRXRHUBMN-GASCZTMLSA-N 2 2 342.434 1.452 20 0 EDADLP O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000848775886 595444607 /nfs/dbraw/zinc/44/46/07/595444607.db2.gz FZZMKRJMLSFUFX-GBESFXJTSA-N 2 2 344.455 1.915 20 0 EDADLP O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000848775886 595444610 /nfs/dbraw/zinc/44/46/10/595444610.db2.gz FZZMKRJMLSFUFX-GBESFXJTSA-N 2 2 344.455 1.915 20 0 EDADLP O=C(OCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848775886 595444613 /nfs/dbraw/zinc/44/46/13/595444613.db2.gz FZZMKRJMLSFUFX-GBESFXJTSA-N 2 2 344.455 1.915 20 0 EDADLP O=C(OCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848775886 595444617 /nfs/dbraw/zinc/44/46/17/595444617.db2.gz FZZMKRJMLSFUFX-GBESFXJTSA-N 2 2 344.455 1.915 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000849325759 595506423 /nfs/dbraw/zinc/50/64/23/595506423.db2.gz RKULWZRQOACHKU-SUMWQHHRSA-N 2 2 329.485 1.725 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000849325759 595506424 /nfs/dbraw/zinc/50/64/24/595506424.db2.gz RKULWZRQOACHKU-SUMWQHHRSA-N 2 2 329.485 1.725 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)cn1 ZINC000849612550 595596669 /nfs/dbraw/zinc/59/66/69/595596669.db2.gz MNCSDSUCYFMBBM-GJZGRUSLSA-N 2 2 338.415 1.742 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)cn1 ZINC000849612550 595596671 /nfs/dbraw/zinc/59/66/71/595596671.db2.gz MNCSDSUCYFMBBM-GJZGRUSLSA-N 2 2 338.415 1.742 20 0 EDADLP Cc1ccc(N)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852913496 595612107 /nfs/dbraw/zinc/61/21/07/595612107.db2.gz XFOXZNFUGLTBBZ-KRWDZBQOSA-N 2 2 330.476 1.818 20 0 EDADLP Cc1ccc(N)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852913496 595612111 /nfs/dbraw/zinc/61/21/11/595612111.db2.gz XFOXZNFUGLTBBZ-KRWDZBQOSA-N 2 2 330.476 1.818 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000857986236 595678311 /nfs/dbraw/zinc/67/83/11/595678311.db2.gz VDDZURYSDIAZFM-JKSUJKDBSA-N 2 2 325.416 1.751 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000857986236 595678314 /nfs/dbraw/zinc/67/83/14/595678314.db2.gz VDDZURYSDIAZFM-JKSUJKDBSA-N 2 2 325.416 1.751 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858032754 595687598 /nfs/dbraw/zinc/68/75/98/595687598.db2.gz NALIMHBTYBJHOY-IAGOWNOFSA-N 2 2 346.475 1.396 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858032754 595687600 /nfs/dbraw/zinc/68/76/00/595687600.db2.gz NALIMHBTYBJHOY-IAGOWNOFSA-N 2 2 346.475 1.396 20 0 EDADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)N1CCc2ccccc21 ZINC000855415536 595705412 /nfs/dbraw/zinc/70/54/12/595705412.db2.gz YOTQMYWYFIHMAA-MRXNPFEDSA-N 2 2 332.492 1.437 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)N1CCc2ccccc21 ZINC000855415536 595705414 /nfs/dbraw/zinc/70/54/14/595705414.db2.gz YOTQMYWYFIHMAA-MRXNPFEDSA-N 2 2 332.492 1.437 20 0 EDADLP Cn1c(Cl)c(Cl)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417327 595706497 /nfs/dbraw/zinc/70/64/97/595706497.db2.gz XZTQXSMGPSROPV-UHFFFAOYSA-N 2 2 335.279 1.945 20 0 EDADLP Cn1c(Cl)c(Cl)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417327 595706501 /nfs/dbraw/zinc/70/65/01/595706501.db2.gz XZTQXSMGPSROPV-UHFFFAOYSA-N 2 2 335.279 1.945 20 0 EDADLP O=S(=O)(C(F)F)N1CCC(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000850135351 595749998 /nfs/dbraw/zinc/74/99/98/595749998.db2.gz PPMOGPHEVXGYDA-UHFFFAOYSA-N 2 2 348.419 1.183 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnn(-c2ccccc2)c1 ZINC000858466488 595803423 /nfs/dbraw/zinc/80/34/23/595803423.db2.gz GGWGGGMJZXLNSI-YJBOKZPZSA-N 2 2 341.459 1.863 20 0 EDADLP CCN(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000853589727 595817562 /nfs/dbraw/zinc/81/75/62/595817562.db2.gz OAXOSNFLBXCJDC-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP CCN(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000853589727 595817563 /nfs/dbraw/zinc/81/75/63/595817563.db2.gz OAXOSNFLBXCJDC-INIZCTEOSA-N 2 2 342.447 1.893 20 0 EDADLP O=[S@@](CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)CC(F)(F)F ZINC000850490348 595842201 /nfs/dbraw/zinc/84/22/01/595842201.db2.gz AGBZUQGSQSNTEQ-QFIPXVFZSA-N 2 2 335.395 1.951 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c21)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000851662676 595873583 /nfs/dbraw/zinc/87/35/83/595873583.db2.gz ZHWPCKFRXOKVDC-JYJNAYRXSA-N 2 2 343.406 1.912 20 0 EDADLP c1cn(CC[NH+]2CCC(c3nccc(N4CCOCC4)n3)CC2)c[nH+]1 ZINC000854105249 595977196 /nfs/dbraw/zinc/97/71/96/595977196.db2.gz SCNFCVOQVJMXBJ-UHFFFAOYSA-N 2 2 342.447 1.389 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000851945440 595981090 /nfs/dbraw/zinc/98/10/90/595981090.db2.gz AGZQFWNFMNSEIX-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000851945440 595981092 /nfs/dbraw/zinc/98/10/92/595981092.db2.gz AGZQFWNFMNSEIX-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851988988 595998607 /nfs/dbraw/zinc/99/86/07/595998607.db2.gz RBBMXCANOYRBPG-RBSFLKMASA-N 2 2 329.485 1.533 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851988988 595998609 /nfs/dbraw/zinc/99/86/09/595998609.db2.gz RBBMXCANOYRBPG-RBSFLKMASA-N 2 2 329.485 1.533 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851988988 595998612 /nfs/dbraw/zinc/99/86/12/595998612.db2.gz RBBMXCANOYRBPG-RBSFLKMASA-N 2 2 329.485 1.533 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000851988988 595998614 /nfs/dbraw/zinc/99/86/14/595998614.db2.gz RBBMXCANOYRBPG-RBSFLKMASA-N 2 2 329.485 1.533 20 0 EDADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852046949 596022175 /nfs/dbraw/zinc/02/21/75/596022175.db2.gz XWJMMCOIGAQZJH-IBGZPJMESA-N 2 2 345.443 1.406 20 0 EDADLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852046949 596022176 /nfs/dbraw/zinc/02/21/76/596022176.db2.gz XWJMMCOIGAQZJH-IBGZPJMESA-N 2 2 345.443 1.406 20 0 EDADLP C[NH+](CCC[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1)Cc1ccco1 ZINC000852046949 596022181 /nfs/dbraw/zinc/02/21/81/596022181.db2.gz XWJMMCOIGAQZJH-IBGZPJMESA-N 2 2 345.443 1.406 20 0 EDADLP C[NH+](CCC[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1)Cc1ccco1 ZINC000852046949 596022183 /nfs/dbraw/zinc/02/21/83/596022183.db2.gz XWJMMCOIGAQZJH-IBGZPJMESA-N 2 2 345.443 1.406 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000861554817 596028463 /nfs/dbraw/zinc/02/84/63/596028463.db2.gz XCNDJAGVXRJQAM-WBVHZDCISA-N 2 2 334.464 1.357 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000861674935 596063821 /nfs/dbraw/zinc/06/38/21/596063821.db2.gz ZJVONSBSODBINW-QWHCGFSZSA-N 2 2 339.509 1.336 20 0 EDADLP CC(C)(C)OC(=O)N1CCC(CO)([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000852174430 596070398 /nfs/dbraw/zinc/07/03/98/596070398.db2.gz DEXGUNWHQJFLHT-UHFFFAOYSA-N 2 2 338.452 1.625 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C)nc3Cl)cn2)CC1 ZINC000856765868 596076034 /nfs/dbraw/zinc/07/60/34/596076034.db2.gz NDGHSEZGYOZOHT-UHFFFAOYSA-N 2 2 348.882 1.900 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)CC1 ZINC000859585700 596139645 /nfs/dbraw/zinc/13/96/45/596139645.db2.gz UTRZQJDOIQNEMP-XLIONFOSSA-N 2 2 345.487 1.523 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@](O)(c3ccccc3)C2)CC1 ZINC000859585700 596139646 /nfs/dbraw/zinc/13/96/46/596139646.db2.gz UTRZQJDOIQNEMP-XLIONFOSSA-N 2 2 345.487 1.523 20 0 EDADLP CC(C)(C)OC(=O)NCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852707997 596230874 /nfs/dbraw/zinc/23/08/74/596230874.db2.gz NXPXITRIEMTNSI-HNNXBMFYSA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)NCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852707997 596230875 /nfs/dbraw/zinc/23/08/75/596230875.db2.gz NXPXITRIEMTNSI-HNNXBMFYSA-N 2 2 327.469 1.432 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000868622091 596249920 /nfs/dbraw/zinc/24/99/20/596249920.db2.gz XWJXMTYQPVIVNI-UHFFFAOYSA-N 2 2 341.459 1.883 20 0 EDADLP COc1ccc(C(=O)c2cn(CC[N@H+](C)CCC[NH+](C)C)nn2)cc1 ZINC000864645629 596295198 /nfs/dbraw/zinc/29/51/98/596295198.db2.gz HBLGKJNBMRMQDT-UHFFFAOYSA-N 2 2 345.447 1.401 20 0 EDADLP COc1ccc(C(=O)c2cn(CC[N@@H+](C)CCC[NH+](C)C)nn2)cc1 ZINC000864645629 596295199 /nfs/dbraw/zinc/29/51/99/596295199.db2.gz HBLGKJNBMRMQDT-UHFFFAOYSA-N 2 2 345.447 1.401 20 0 EDADLP CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000868810825 596313969 /nfs/dbraw/zinc/31/39/69/596313969.db2.gz VXRLGSVDDWZRNP-GFCCVEGCSA-N 2 2 334.342 1.318 20 0 EDADLP CCO[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@H]1CCOC1 ZINC000870665562 596314757 /nfs/dbraw/zinc/31/47/57/596314757.db2.gz ZDFPCLIDBFBWKO-WMLDXEAASA-N 2 2 348.447 1.214 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000870856171 596379156 /nfs/dbraw/zinc/37/91/56/596379156.db2.gz VJWREFPRFHKLFN-UHFFFAOYSA-N 2 2 343.471 1.667 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870866120 596382421 /nfs/dbraw/zinc/38/24/21/596382421.db2.gz OCXMHRGYKJZGRD-GFCCVEGCSA-N 2 2 338.477 1.061 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC000862755698 596405567 /nfs/dbraw/zinc/40/55/67/596405567.db2.gz LQANCZVTEHAZHJ-MRXNPFEDSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC000862755698 596405571 /nfs/dbraw/zinc/40/55/71/596405571.db2.gz LQANCZVTEHAZHJ-MRXNPFEDSA-N 2 2 331.460 1.870 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000870978559 596426002 /nfs/dbraw/zinc/42/60/02/596426002.db2.gz WKAUUBQKFSCOKI-PKOBYXMFSA-N 2 2 333.476 1.830 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000870978559 596426005 /nfs/dbraw/zinc/42/60/05/596426005.db2.gz WKAUUBQKFSCOKI-PKOBYXMFSA-N 2 2 333.476 1.830 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000864990002 596437088 /nfs/dbraw/zinc/43/70/88/596437088.db2.gz CVBJWXBGQKDAPD-DAFODLJHSA-N 2 2 349.500 1.323 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190900 596441184 /nfs/dbraw/zinc/44/11/84/596441184.db2.gz WDNQWAYDVNNAAI-APIJFGDWSA-N 2 2 347.450 1.577 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190900 596441186 /nfs/dbraw/zinc/44/11/86/596441186.db2.gz WDNQWAYDVNNAAI-APIJFGDWSA-N 2 2 347.450 1.577 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+](CC(F)F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190900 596441188 /nfs/dbraw/zinc/44/11/88/596441188.db2.gz WDNQWAYDVNNAAI-APIJFGDWSA-N 2 2 347.450 1.577 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+](CC(F)F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000869190900 596441191 /nfs/dbraw/zinc/44/11/91/596441191.db2.gz WDNQWAYDVNNAAI-APIJFGDWSA-N 2 2 347.450 1.577 20 0 EDADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000869263558 596466644 /nfs/dbraw/zinc/46/66/44/596466644.db2.gz VLVXOEWDWUMAFT-DOTOQJQBSA-N 2 2 328.416 1.219 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CC1 ZINC000867632409 596470500 /nfs/dbraw/zinc/47/05/00/596470500.db2.gz XYCDKAMBDATJRF-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CC(F)F)C2)CC1 ZINC000867632409 596470502 /nfs/dbraw/zinc/47/05/02/596470502.db2.gz XYCDKAMBDATJRF-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000867632409 596470504 /nfs/dbraw/zinc/47/05/04/596470504.db2.gz XYCDKAMBDATJRF-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP C[C@H](O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000867632409 596470506 /nfs/dbraw/zinc/47/05/06/596470506.db2.gz XYCDKAMBDATJRF-UONOGXRCSA-N 2 2 347.450 1.267 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)/C=C\C[NH+]1CCOCC1)[NH+](C)C ZINC000867678987 596492203 /nfs/dbraw/zinc/49/22/03/596492203.db2.gz NIRDGTNOIATLFR-SKXCUUQHSA-N 2 2 345.487 1.991 20 0 EDADLP C[C@@H]1C[NH+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C[C@@H](C)C1(F)F ZINC000863273679 596535762 /nfs/dbraw/zinc/53/57/62/596535762.db2.gz LIJLKANFMFVXKG-JHJVBQTASA-N 2 2 326.391 1.917 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(NCCC)[nH+]cn2)CC1 ZINC000865443294 596576797 /nfs/dbraw/zinc/57/67/97/596576797.db2.gz XPMSKHSPXUGWHJ-UHFFFAOYSA-N 2 2 334.468 1.701 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2cc(NCCC)nc[nH+]2)CC1 ZINC000865443294 596576798 /nfs/dbraw/zinc/57/67/98/596576798.db2.gz XPMSKHSPXUGWHJ-UHFFFAOYSA-N 2 2 334.468 1.701 20 0 EDADLP C[C@@H](O)c1ccc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000865529314 596601694 /nfs/dbraw/zinc/60/16/94/596601694.db2.gz DVYQGKKDKVZTAK-OAHLLOKOSA-N 2 2 346.475 1.515 20 0 EDADLP C[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000863540982 596613157 /nfs/dbraw/zinc/61/31/57/596613157.db2.gz IJLDCXVJLTXECY-WMZOPIPTSA-N 2 2 333.476 1.373 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000863552256 596616077 /nfs/dbraw/zinc/61/60/77/596616077.db2.gz QMEVMKZWFAIERP-UHFFFAOYSA-N 2 2 336.404 1.351 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000863552256 596616083 /nfs/dbraw/zinc/61/60/83/596616083.db2.gz QMEVMKZWFAIERP-UHFFFAOYSA-N 2 2 336.404 1.351 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000869761398 596620747 /nfs/dbraw/zinc/62/07/47/596620747.db2.gz NNPXDOLPKCLTMC-HZPDHXFCSA-N 2 2 334.464 1.340 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871543009 596621462 /nfs/dbraw/zinc/62/14/62/596621462.db2.gz MBFUDEOXARHRHO-CQSZACIVSA-N 2 2 325.453 1.003 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871543009 596621464 /nfs/dbraw/zinc/62/14/64/596621464.db2.gz MBFUDEOXARHRHO-CQSZACIVSA-N 2 2 325.453 1.003 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000869783438 596635466 /nfs/dbraw/zinc/63/54/66/596635466.db2.gz FBGLYWFLAWXQQE-HNNXBMFYSA-N 2 2 328.416 1.447 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000869783438 596635468 /nfs/dbraw/zinc/63/54/68/596635468.db2.gz FBGLYWFLAWXQQE-HNNXBMFYSA-N 2 2 328.416 1.447 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c(-c2ccncc2)n1 ZINC000865656120 596640683 /nfs/dbraw/zinc/64/06/83/596640683.db2.gz SODUZOSGQHSGEF-INIZCTEOSA-N 2 2 329.448 1.417 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c(-c2ccncc2)n1 ZINC000865656120 596640686 /nfs/dbraw/zinc/64/06/86/596640686.db2.gz SODUZOSGQHSGEF-INIZCTEOSA-N 2 2 329.448 1.417 20 0 EDADLP CCOc1cc(C[N@H+](C)C[C@@H](C)[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000863652954 596644470 /nfs/dbraw/zinc/64/44/70/596644470.db2.gz ZYQPGJUGUIOGDZ-ZIAGYGMSSA-N 2 2 337.464 1.720 20 0 EDADLP CCOc1cc(C[N@@H+](C)C[C@@H](C)[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000863652954 596644473 /nfs/dbraw/zinc/64/44/73/596644473.db2.gz ZYQPGJUGUIOGDZ-ZIAGYGMSSA-N 2 2 337.464 1.720 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000867997551 596647451 /nfs/dbraw/zinc/64/74/51/596647451.db2.gz GWFLYWZZSAKSFU-MSOLQXFVSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000867997551 596647456 /nfs/dbraw/zinc/64/74/56/596647456.db2.gz GWFLYWZZSAKSFU-MSOLQXFVSA-N 2 2 331.460 1.312 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000868020839 596657821 /nfs/dbraw/zinc/65/78/21/596657821.db2.gz IPMKUFPDXISIIT-HOCLYGCPSA-N 2 2 327.432 1.612 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@@H]21 ZINC000868020839 596657825 /nfs/dbraw/zinc/65/78/25/596657825.db2.gz IPMKUFPDXISIIT-HOCLYGCPSA-N 2 2 327.432 1.612 20 0 EDADLP Cc1cc(-c2cnn3c2C[NH2+]CC3)ccc1OCC[NH+]1CCOCC1 ZINC000863691950 596659896 /nfs/dbraw/zinc/65/98/96/596659896.db2.gz NYSAWZJRVQNNQK-UHFFFAOYSA-N 2 2 342.443 1.673 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000868035909 596663249 /nfs/dbraw/zinc/66/32/49/596663249.db2.gz QOAUFJBKNPUEHW-ZBFHGGJFSA-N 2 2 331.464 1.498 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)CC[C@@H]21 ZINC000868035909 596663251 /nfs/dbraw/zinc/66/32/51/596663251.db2.gz QOAUFJBKNPUEHW-ZBFHGGJFSA-N 2 2 331.464 1.498 20 0 EDADLP C[C@@H](CNC(=O)Cc1cn2cc(F)ccc2[nH+]1)C[NH+]1CCN(C)CC1 ZINC000865801625 596690646 /nfs/dbraw/zinc/69/06/46/596690646.db2.gz AWHDYEOKGSSZQR-AWEZNQCLSA-N 2 2 347.438 1.016 20 0 EDADLP C[NH+](C)C1(CNC(=O)/C=C\C[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000866056021 596773540 /nfs/dbraw/zinc/77/35/40/596773540.db2.gz DCAXPSHUKRIDFK-YVMONPNESA-N 2 2 343.471 1.090 20 0 EDADLP CO[C@H]1C[C@H]2CN(c3[nH+]cnc4[nH]ccc43)Cc3ccc[nH+]c3N2C1 ZINC000866058400 596774504 /nfs/dbraw/zinc/77/45/04/596774504.db2.gz ZFYZFRQDLGMVGZ-KBPBESRZSA-N 2 2 336.399 1.967 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)CC[N@@H+]1C ZINC000870154451 596777967 /nfs/dbraw/zinc/77/79/67/596777967.db2.gz MBTHBGCXIIGNDM-RCCFBDPRSA-N 2 2 331.460 1.898 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+][C@@H](c3cccc(OC)c3)C2)CC[N@H+]1C ZINC000870154451 596777970 /nfs/dbraw/zinc/77/79/70/596777970.db2.gz MBTHBGCXIIGNDM-RCCFBDPRSA-N 2 2 331.460 1.898 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000870156813 596778787 /nfs/dbraw/zinc/77/87/87/596778787.db2.gz GLWAKZGZSFAKBJ-GOSISDBHSA-N 2 2 347.459 1.060 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000870156813 596778789 /nfs/dbraw/zinc/77/87/89/596778789.db2.gz GLWAKZGZSFAKBJ-GOSISDBHSA-N 2 2 347.459 1.060 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000866092517 596785777 /nfs/dbraw/zinc/78/57/77/596785777.db2.gz KLMVLNSMKYQKTN-LSDHHAIUSA-N 2 2 345.434 1.144 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000866092517 596785780 /nfs/dbraw/zinc/78/57/80/596785780.db2.gz KLMVLNSMKYQKTN-LSDHHAIUSA-N 2 2 345.434 1.144 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC[C@H]21 ZINC000866204061 596826057 /nfs/dbraw/zinc/82/60/57/596826057.db2.gz APCJNIQHBDAXNJ-BZUAXINKSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)CC[C@H]21 ZINC000866204061 596826067 /nfs/dbraw/zinc/82/60/67/596826067.db2.gz APCJNIQHBDAXNJ-BZUAXINKSA-N 2 2 331.464 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)CC[C@H]21 ZINC000866204061 596826070 /nfs/dbraw/zinc/82/60/70/596826070.db2.gz APCJNIQHBDAXNJ-BZUAXINKSA-N 2 2 331.464 1.216 20 0 EDADLP O=C(C[NH2+][C@]12CCC[C@H]1OCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000872315496 596878867 /nfs/dbraw/zinc/87/88/67/596878867.db2.gz VPTHRNGSEOYLRO-AEFFLSMTSA-N 2 2 349.500 1.694 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411308 596879681 /nfs/dbraw/zinc/87/96/81/596879681.db2.gz IYMOGVFFOJFILH-WMZOPIPTSA-N 2 2 347.503 1.559 20 0 EDADLP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411308 596879685 /nfs/dbraw/zinc/87/96/85/596879685.db2.gz IYMOGVFFOJFILH-WMZOPIPTSA-N 2 2 347.503 1.559 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4cc(F)ccc4[nH+]3)[C@H]2C1 ZINC000868570323 596886456 /nfs/dbraw/zinc/88/64/56/596886456.db2.gz VRHQDOAUYWCDHN-JKSUJKDBSA-N 2 2 346.406 1.338 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4cc(F)ccc4[nH+]3)[C@H]2C1 ZINC000868570323 596886458 /nfs/dbraw/zinc/88/64/58/596886458.db2.gz VRHQDOAUYWCDHN-JKSUJKDBSA-N 2 2 346.406 1.338 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)nc2)CC1 ZINC000874069319 596916068 /nfs/dbraw/zinc/91/60/68/596916068.db2.gz VIJWGSUXVBDWSD-KRWDZBQOSA-N 2 2 343.475 1.789 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+]3C3CCCC3)nc2)CC1 ZINC000874069319 596916070 /nfs/dbraw/zinc/91/60/70/596916070.db2.gz VIJWGSUXVBDWSD-KRWDZBQOSA-N 2 2 343.475 1.789 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875637490 596929164 /nfs/dbraw/zinc/92/91/64/596929164.db2.gz SLAQJXPLYZJOEW-UHFFFAOYSA-N 2 2 339.443 1.930 20 0 EDADLP C[C@H]1C[N@@H+](CN2CCC3(CCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872595279 596981209 /nfs/dbraw/zinc/98/12/09/596981209.db2.gz DIXYENUTVHNULP-IRXDYDNUSA-N 2 2 334.508 1.304 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(N(C)C)[nH+]1 ZINC000874370604 597044323 /nfs/dbraw/zinc/04/43/23/597044323.db2.gz YTTPYWRDVSIVHO-HUUCEWRRSA-N 2 2 345.447 1.090 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(N(C)C)[nH+]1 ZINC000874370604 597044327 /nfs/dbraw/zinc/04/43/27/597044327.db2.gz YTTPYWRDVSIVHO-HUUCEWRRSA-N 2 2 345.447 1.090 20 0 EDADLP Cc1nc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(Br)c(C)[nH+]1 ZINC000872757876 597060167 /nfs/dbraw/zinc/06/01/67/597060167.db2.gz NTWCUQJEKAPEFN-NWDGAFQWSA-N 2 2 341.253 1.501 20 0 EDADLP Cc1nc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(Br)c(C)[nH+]1 ZINC000872757876 597060170 /nfs/dbraw/zinc/06/01/70/597060170.db2.gz NTWCUQJEKAPEFN-NWDGAFQWSA-N 2 2 341.253 1.501 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2c3ccccc3C[NH+]2C)[C@H](C)CO1 ZINC000876205999 597136241 /nfs/dbraw/zinc/13/62/41/597136241.db2.gz ZDBKTRZMFYJXSZ-RKVPGOIHSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2c3ccccc3C[NH+]2C)[C@H](C)CO1 ZINC000876205999 597136243 /nfs/dbraw/zinc/13/62/43/597136243.db2.gz ZDBKTRZMFYJXSZ-RKVPGOIHSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)[C@H](C)CO1 ZINC000876205999 597136244 /nfs/dbraw/zinc/13/62/44/597136244.db2.gz ZDBKTRZMFYJXSZ-RKVPGOIHSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)[C@H](C)CO1 ZINC000876205999 597136246 /nfs/dbraw/zinc/13/62/46/597136246.db2.gz ZDBKTRZMFYJXSZ-RKVPGOIHSA-N 2 2 346.475 1.582 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000874705273 597150050 /nfs/dbraw/zinc/15/00/50/597150050.db2.gz BTVLEGXCTNYHGF-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000874705273 597150052 /nfs/dbraw/zinc/15/00/52/597150052.db2.gz BTVLEGXCTNYHGF-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872998240 597155391 /nfs/dbraw/zinc/15/53/91/597155391.db2.gz OTYUUORFFQVWQN-UHFFFAOYSA-N 2 2 347.463 1.235 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000872998240 597155395 /nfs/dbraw/zinc/15/53/95/597155395.db2.gz OTYUUORFFQVWQN-UHFFFAOYSA-N 2 2 347.463 1.235 20 0 EDADLP Cc1nccnc1[C@@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000873186696 597221575 /nfs/dbraw/zinc/22/15/75/597221575.db2.gz DKLDTUFFUGANQB-CQSZACIVSA-N 2 2 327.436 1.178 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000873260992 597241904 /nfs/dbraw/zinc/24/19/04/597241904.db2.gz AKLGSYOBOPNEQP-WMLDXEAASA-N 2 2 332.448 1.068 20 0 EDADLP O=C1NCCN1Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000873263221 597242275 /nfs/dbraw/zinc/24/22/75/597242275.db2.gz URFFWFFLTAFHSM-QZTJIDSGSA-N 2 2 344.459 1.068 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000875112398 597287275 /nfs/dbraw/zinc/28/72/75/597287275.db2.gz MAXVKCOHTMPOON-PBHICJAKSA-N 2 2 346.475 1.136 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000875112398 597287278 /nfs/dbraw/zinc/28/72/78/597287278.db2.gz MAXVKCOHTMPOON-PBHICJAKSA-N 2 2 346.475 1.136 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)C1 ZINC000875134649 597296086 /nfs/dbraw/zinc/29/60/86/597296086.db2.gz FDQNZVRGBDHBKC-HOTGVXAUSA-N 2 2 329.448 1.670 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)C1 ZINC000875134649 597296087 /nfs/dbraw/zinc/29/60/87/597296087.db2.gz FDQNZVRGBDHBKC-HOTGVXAUSA-N 2 2 329.448 1.670 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000875171957 597313994 /nfs/dbraw/zinc/31/39/94/597313994.db2.gz UPPKIRAQIGFIOH-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000875171957 597313997 /nfs/dbraw/zinc/31/39/97/597313997.db2.gz UPPKIRAQIGFIOH-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC000876742774 597317279 /nfs/dbraw/zinc/31/72/79/597317279.db2.gz SUMJFEAGSPBSEW-MJGOQNOKSA-N 3 2 334.508 1.193 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CCC1(C)C ZINC000875189877 597320734 /nfs/dbraw/zinc/32/07/34/597320734.db2.gz NOQPXIZWYMCMLR-UHFFFAOYSA-N 2 2 342.447 1.893 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CCC1(C)C ZINC000875189877 597320737 /nfs/dbraw/zinc/32/07/37/597320737.db2.gz NOQPXIZWYMCMLR-UHFFFAOYSA-N 2 2 342.447 1.893 20 0 EDADLP Cc1cn2ccc(C(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2[nH+]1 ZINC000877353464 597499023 /nfs/dbraw/zinc/49/90/23/597499023.db2.gz RAZFKGQMUNCOAN-VXGBXAGGSA-N 2 2 326.322 1.852 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877400063 597509981 /nfs/dbraw/zinc/50/99/81/597509981.db2.gz RRGMHUFJJQLLJD-CABCVRRESA-N 2 2 341.496 1.726 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877400063 597509982 /nfs/dbraw/zinc/50/99/82/597509982.db2.gz RRGMHUFJJQLLJD-CABCVRRESA-N 2 2 341.496 1.726 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000877727431 597551602 /nfs/dbraw/zinc/55/16/02/597551602.db2.gz UPZLRKRLJQQLNS-FGTMMUONSA-N 2 2 332.444 1.819 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000877727431 597551603 /nfs/dbraw/zinc/55/16/03/597551603.db2.gz UPZLRKRLJQQLNS-FGTMMUONSA-N 2 2 332.444 1.819 20 0 EDADLP CSc1nccnc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878554057 597633838 /nfs/dbraw/zinc/63/38/38/597633838.db2.gz WXRXGRCHNOSQDU-UHFFFAOYSA-N 2 2 349.504 1.487 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)[C@H](C)C1 ZINC000883307324 597711182 /nfs/dbraw/zinc/71/11/82/597711182.db2.gz QVWBVNKGGHRTCM-IKGGRYGDSA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCS2(=O)=O)[C@H](C)C1 ZINC000883307324 597711185 /nfs/dbraw/zinc/71/11/85/597711185.db2.gz QVWBVNKGGHRTCM-IKGGRYGDSA-N 2 2 346.537 1.680 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131962 597849729 /nfs/dbraw/zinc/84/97/29/597849729.db2.gz CXLHKPOZOLHQNU-HOTGVXAUSA-N 2 2 330.432 1.283 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131962 597849732 /nfs/dbraw/zinc/84/97/32/597849732.db2.gz CXLHKPOZOLHQNU-HOTGVXAUSA-N 2 2 330.432 1.283 20 0 EDADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131962 597849733 /nfs/dbraw/zinc/84/97/33/597849733.db2.gz CXLHKPOZOLHQNU-HOTGVXAUSA-N 2 2 330.432 1.283 20 0 EDADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000880131962 597849736 /nfs/dbraw/zinc/84/97/36/597849736.db2.gz CXLHKPOZOLHQNU-HOTGVXAUSA-N 2 2 330.432 1.283 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261718 597886397 /nfs/dbraw/zinc/88/63/97/597886397.db2.gz LSUOMBCGVWTUDF-UONOGXRCSA-N 2 2 347.463 1.605 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261718 597886399 /nfs/dbraw/zinc/88/63/99/597886399.db2.gz LSUOMBCGVWTUDF-UONOGXRCSA-N 2 2 347.463 1.605 20 0 EDADLP O=C(C[N@H+]1CC[C@H](CF)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000880290965 597893432 /nfs/dbraw/zinc/89/34/32/597893432.db2.gz AFEZLYHIBCBSBW-MRXNPFEDSA-N 2 2 349.450 1.426 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](CF)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000880290965 597893435 /nfs/dbraw/zinc/89/34/35/597893435.db2.gz AFEZLYHIBCBSBW-MRXNPFEDSA-N 2 2 349.450 1.426 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000884192458 598021469 /nfs/dbraw/zinc/02/14/69/598021469.db2.gz GLBSCUMYTHAZPX-UHFFFAOYSA-N 2 2 342.443 1.790 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c[nH+]1 ZINC000884382037 598087084 /nfs/dbraw/zinc/08/70/84/598087084.db2.gz YRQCOFIEQADEAR-ARFHVFGLSA-N 2 2 334.464 1.672 20 0 EDADLP CCC1([NH+]2CCC2)CCN(CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000884474083 598116167 /nfs/dbraw/zinc/11/61/67/598116167.db2.gz PJERESKIKKQHAF-INIZCTEOSA-N 2 2 345.491 1.644 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825390878 608733887 /nfs/dbraw/zinc/73/38/87/608733887.db2.gz OMEAOBDFBAPJGG-ZDUSSCGKSA-N 2 2 340.435 1.288 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825390878 608733888 /nfs/dbraw/zinc/73/38/88/608733888.db2.gz OMEAOBDFBAPJGG-ZDUSSCGKSA-N 2 2 340.435 1.288 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825390878 608733890 /nfs/dbraw/zinc/73/38/90/608733890.db2.gz OMEAOBDFBAPJGG-ZDUSSCGKSA-N 2 2 340.435 1.288 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000825390878 608733892 /nfs/dbraw/zinc/73/38/92/608733892.db2.gz OMEAOBDFBAPJGG-ZDUSSCGKSA-N 2 2 340.435 1.288 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000914112840 695116371 /nfs/dbraw/zinc/11/63/71/695116371.db2.gz VZKKPHMYANEEFR-WMZOPIPTSA-N 2 2 345.491 1.200 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000914112840 695116374 /nfs/dbraw/zinc/11/63/74/695116374.db2.gz VZKKPHMYANEEFR-WMZOPIPTSA-N 2 2 345.491 1.200 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000914150556 695159757 /nfs/dbraw/zinc/15/97/57/695159757.db2.gz OSMGSVWDRAUNDK-TZMCWYRMSA-N 2 2 337.493 1.631 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000914150556 695159758 /nfs/dbraw/zinc/15/97/58/695159758.db2.gz OSMGSVWDRAUNDK-TZMCWYRMSA-N 2 2 337.493 1.631 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925405095 695169610 /nfs/dbraw/zinc/16/96/10/695169610.db2.gz DFYKMTYKVGQYSW-GOSISDBHSA-N 2 2 345.491 1.154 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925405095 695169616 /nfs/dbraw/zinc/16/96/16/695169616.db2.gz DFYKMTYKVGQYSW-GOSISDBHSA-N 2 2 345.491 1.154 20 0 EDADLP Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)c(C)[nH+]1 ZINC000992756438 695291275 /nfs/dbraw/zinc/29/12/75/695291275.db2.gz NQOAZCNOWWGCJK-XHSDSOJGSA-N 2 2 344.459 1.322 20 0 EDADLP C[C@@H](C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1)[NH+]1CCCCCC1 ZINC001031049367 695379571 /nfs/dbraw/zinc/37/95/71/695379571.db2.gz BTPDBRKTHLTTOC-RDJZCZTQSA-N 2 2 337.508 1.866 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939855327 699993337 /nfs/dbraw/zinc/99/33/37/699993337.db2.gz DOKSPOOGLXUQMD-YOEHRIQHSA-N 2 2 344.463 1.606 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939855341 699993474 /nfs/dbraw/zinc/99/34/74/699993474.db2.gz DUSCYHNQEORCKW-IAQYHMDHSA-N 2 2 333.461 1.593 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc[nH+]1 ZINC001060487331 695525258 /nfs/dbraw/zinc/52/52/58/695525258.db2.gz RTEJUQBPEWQQFE-RNGZQALNSA-N 2 2 341.459 1.353 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc[nH+]1 ZINC001060487331 695525259 /nfs/dbraw/zinc/52/52/59/695525259.db2.gz RTEJUQBPEWQQFE-RNGZQALNSA-N 2 2 341.459 1.353 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cn(C)nc2C)[C@@H]1C ZINC000993627165 696291113 /nfs/dbraw/zinc/29/11/13/696291113.db2.gz WMSDOPBJJJXGLI-WBVHZDCISA-N 2 2 344.463 1.403 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)nc2C)[C@@H]1C ZINC000993627165 696291116 /nfs/dbraw/zinc/29/11/16/696291116.db2.gz WMSDOPBJJJXGLI-WBVHZDCISA-N 2 2 344.463 1.403 20 0 EDADLP CCn1nncc1C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993750649 696348453 /nfs/dbraw/zinc/34/84/53/696348453.db2.gz DIATVZKXAXLRKZ-WMLDXEAASA-N 2 2 348.495 1.109 20 0 EDADLP CCn1nncc1C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993750649 696348455 /nfs/dbraw/zinc/34/84/55/696348455.db2.gz DIATVZKXAXLRKZ-WMLDXEAASA-N 2 2 348.495 1.109 20 0 EDADLP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)co1 ZINC000993757331 696351090 /nfs/dbraw/zinc/35/10/90/696351090.db2.gz HBIJAMNVFRWISE-SUMWQHHRSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)co1 ZINC000993757331 696351092 /nfs/dbraw/zinc/35/10/92/696351092.db2.gz HBIJAMNVFRWISE-SUMWQHHRSA-N 2 2 334.464 1.794 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000993869822 696443702 /nfs/dbraw/zinc/44/37/02/696443702.db2.gz HJZWFJZELYWWJT-ZBFHGGJFSA-N 2 2 347.463 1.036 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000993869822 696443703 /nfs/dbraw/zinc/44/37/03/696443703.db2.gz HJZWFJZELYWWJT-ZBFHGGJFSA-N 2 2 347.463 1.036 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3cnn(C)c3)[C@@H]2C)CC1 ZINC000994050484 696506993 /nfs/dbraw/zinc/50/69/93/696506993.db2.gz IVGYTUAGGMRQDM-SJLPKXTDSA-N 2 2 347.507 1.621 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)[C@@H]2C)CC1 ZINC000994050484 696506994 /nfs/dbraw/zinc/50/69/94/696506994.db2.gz IVGYTUAGGMRQDM-SJLPKXTDSA-N 2 2 347.507 1.621 20 0 EDADLP CN(C)c1cc[nH+]c(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000916619887 696688766 /nfs/dbraw/zinc/68/87/66/696688766.db2.gz SHTQRXBAZDFVRL-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CN(C)c1cc[nH+]c(CNC(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000916619887 696688767 /nfs/dbraw/zinc/68/87/67/696688767.db2.gz SHTQRXBAZDFVRL-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)ncn1 ZINC000994409168 696824567 /nfs/dbraw/zinc/82/45/67/696824567.db2.gz PUILLRPLIJOQHQ-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)ncn1 ZINC000994409168 696824570 /nfs/dbraw/zinc/82/45/70/696824570.db2.gz PUILLRPLIJOQHQ-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nocc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994424177 696846073 /nfs/dbraw/zinc/84/60/73/696846073.db2.gz QCJMXXDAKKWAKL-CJNGLKHVSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1nocc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994424177 696846076 /nfs/dbraw/zinc/84/60/76/696846076.db2.gz QCJMXXDAKKWAKL-CJNGLKHVSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2nccnc2C)[C@@H]1C ZINC000994425243 696847377 /nfs/dbraw/zinc/84/73/77/696847377.db2.gz RNWUHQOFSNLCAY-ZBFHGGJFSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2nccnc2C)[C@@H]1C ZINC000994425243 696847380 /nfs/dbraw/zinc/84/73/80/696847380.db2.gz RNWUHQOFSNLCAY-ZBFHGGJFSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994429580 696849417 /nfs/dbraw/zinc/84/94/17/696849417.db2.gz ZAYIUHPBTWMBEU-WMLDXEAASA-N 2 2 344.463 1.403 20 0 EDADLP COc1cccc(CCC[NH+]2CC(NC(=O)Cn3cc[nH+]c3C)C2)c1 ZINC001031390540 697014629 /nfs/dbraw/zinc/01/46/29/697014629.db2.gz QXSUFKZPNNOPLV-UHFFFAOYSA-N 2 2 342.443 1.633 20 0 EDADLP C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)O1 ZINC001031434088 697097033 /nfs/dbraw/zinc/09/70/33/697097033.db2.gz WDGQHYHSHRGMID-KBXCAEBGSA-N 2 2 331.460 1.730 20 0 EDADLP CCc1onc(C)c1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000918905444 697222298 /nfs/dbraw/zinc/22/22/98/697222298.db2.gz FBWFXPIVSZANNX-AWEZNQCLSA-N 2 2 349.479 1.513 20 0 EDADLP CCc1onc(C)c1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000918905444 697222299 /nfs/dbraw/zinc/22/22/99/697222299.db2.gz FBWFXPIVSZANNX-AWEZNQCLSA-N 2 2 349.479 1.513 20 0 EDADLP Cc1ccc(NCCNC(=O)NC[C@H](C)C[NH+]2CCOCC2)[nH+]c1 ZINC000919726770 697324156 /nfs/dbraw/zinc/32/41/56/697324156.db2.gz PABVLWZXGNYXNF-HNNXBMFYSA-N 2 2 335.452 1.069 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000920924964 697491804 /nfs/dbraw/zinc/49/18/04/697491804.db2.gz BCNAQWVYXLNBNZ-HUUCEWRRSA-N 2 2 336.480 1.976 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC000995036552 700188618 /nfs/dbraw/zinc/18/86/18/700188618.db2.gz LKCIEYBKZHZVTK-CVEARBPZSA-N 2 2 342.447 1.365 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943766728 698819576 /nfs/dbraw/zinc/81/95/76/698819576.db2.gz NRRIFQBWYBGKSD-AAEUAGOBSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943766728 698819581 /nfs/dbraw/zinc/81/95/81/698819581.db2.gz NRRIFQBWYBGKSD-AAEUAGOBSA-N 2 2 333.461 1.744 20 0 EDADLP CCc1onc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154218 701556025 /nfs/dbraw/zinc/55/60/25/701556025.db2.gz RNOCAARHAISPDT-ZIAGYGMSSA-N 2 2 345.447 1.886 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995153019 701558131 /nfs/dbraw/zinc/55/81/31/701558131.db2.gz NXETYALVJIIMRO-KBPBESRZSA-N 2 2 330.436 1.243 20 0 EDADLP CCCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044585 699088454 /nfs/dbraw/zinc/08/84/54/699088454.db2.gz MPXMAOXUZXRELF-SJORKVTESA-N 2 2 325.497 1.868 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031775942 699149004 /nfs/dbraw/zinc/14/90/04/699149004.db2.gz LIIOROMUZAQTID-SFHVURJKSA-N 2 2 338.455 1.736 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000995162177 701586150 /nfs/dbraw/zinc/58/61/50/701586150.db2.gz SBLMVPZZVFKILK-UONOGXRCSA-N 2 2 347.488 1.802 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000939214918 699386885 /nfs/dbraw/zinc/38/68/85/699386885.db2.gz NOIVAEFYYPQXHS-BZNIZROVSA-N 2 2 334.370 1.867 20 0 EDADLP CC(C)C[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000939234992 699402729 /nfs/dbraw/zinc/40/27/29/699402729.db2.gz HIDVGORRXOXDNE-IAGOWNOFSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001031806798 699413845 /nfs/dbraw/zinc/41/38/45/699413845.db2.gz PGWLKJYWYJNWDP-MRXNPFEDSA-N 2 2 336.505 1.812 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001031806798 699413848 /nfs/dbraw/zinc/41/38/48/699413848.db2.gz PGWLKJYWYJNWDP-MRXNPFEDSA-N 2 2 336.505 1.812 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)cn1 ZINC001031806547 699429500 /nfs/dbraw/zinc/42/95/00/699429500.db2.gz GKCWQGIZDFMPEC-SFHVURJKSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)cn1 ZINC001031806547 699429501 /nfs/dbraw/zinc/42/95/01/699429501.db2.gz GKCWQGIZDFMPEC-SFHVURJKSA-N 2 2 345.491 1.453 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1csnn1 ZINC000939399009 699548293 /nfs/dbraw/zinc/54/82/93/699548293.db2.gz USJPGXFBMQYSNY-DZGCQCFKSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)n1 ZINC000939399016 699548374 /nfs/dbraw/zinc/54/83/74/699548374.db2.gz UZJIEYLZFDLBQX-HIFRSBDPSA-N 2 2 335.452 1.046 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)o1 ZINC000939399286 699548548 /nfs/dbraw/zinc/54/85/48/699548548.db2.gz WQSAFBNQIAGKOD-CABCVRRESA-N 2 2 349.479 1.300 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)sn1 ZINC000995164465 701603472 /nfs/dbraw/zinc/60/34/72/701603472.db2.gz ZZMZUZWLFSQGBW-UONOGXRCSA-N 2 2 347.488 1.802 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC000939536811 699677915 /nfs/dbraw/zinc/67/79/15/699677915.db2.gz XFNIDTFIFVZKKA-PBHICJAKSA-N 2 2 344.463 1.377 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCc1ccns1 ZINC000939537350 699678210 /nfs/dbraw/zinc/67/82/10/699678210.db2.gz ZPCIGLLORMSXPE-IUODEOHRSA-N 2 2 333.461 1.098 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000939543116 699684030 /nfs/dbraw/zinc/68/40/30/699684030.db2.gz ZRKPGQJJZHVAQC-WFASDCNBSA-N 2 2 344.463 1.366 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939625890 699763604 /nfs/dbraw/zinc/76/36/04/699763604.db2.gz GGIQTXRMPQUILV-TVQRCGJNSA-N 2 2 334.449 1.057 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)s1 ZINC000939641533 699771153 /nfs/dbraw/zinc/77/11/53/699771153.db2.gz FOXBBWKSKPSISI-SWLSCSKDSA-N 2 2 347.488 1.754 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939642112 699771515 /nfs/dbraw/zinc/77/15/15/699771515.db2.gz HQAZQXXTLJURMM-IUODEOHRSA-N 2 2 340.418 1.835 20 0 EDADLP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939642342 699771619 /nfs/dbraw/zinc/77/16/19/699771619.db2.gz JDGBOYCVEKQBQA-YJBOKZPZSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(C2C[NH+](CCC(C)C)C2)CC1 ZINC000941653127 701612353 /nfs/dbraw/zinc/61/23/53/701612353.db2.gz CUPCRZDMUYWZLT-UHFFFAOYSA-N 2 2 333.480 1.135 20 0 EDADLP CC[NH+]1CC(N2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941679206 701616585 /nfs/dbraw/zinc/61/65/85/701616585.db2.gz UUJAHPXSHITXNZ-SFHVURJKSA-N 2 2 330.476 1.138 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)o1 ZINC000940144429 700273838 /nfs/dbraw/zinc/27/38/38/700273838.db2.gz IZXWPQGIGCIZHW-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)o1 ZINC000940144429 700273841 /nfs/dbraw/zinc/27/38/41/700273841.db2.gz IZXWPQGIGCIZHW-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC(C)([NH2+]C[C@H]3CCOC3)CC2)c[nH+]1 ZINC000940173917 700328786 /nfs/dbraw/zinc/32/87/86/700328786.db2.gz HYQIKFNQQDMPAI-MRXNPFEDSA-N 2 2 348.491 1.934 20 0 EDADLP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000940183182 700340258 /nfs/dbraw/zinc/34/02/58/700340258.db2.gz RQPHDVJMZPHCDR-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP CC1([NH2+]Cc2ncccn2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243390 700404861 /nfs/dbraw/zinc/40/48/61/700404861.db2.gz MSRBRKJYTIJHMX-UHFFFAOYSA-N 2 2 328.420 1.234 20 0 EDADLP C[C@@H](F)CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031876336 700406566 /nfs/dbraw/zinc/40/65/66/700406566.db2.gz SOTLYHZUGAEFTK-RHSMWYFYSA-N 2 2 341.471 1.283 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@]23CCOC3)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940354106 700537749 /nfs/dbraw/zinc/53/77/49/700537749.db2.gz WPXUQXMMPPNRRS-KSSFIOAISA-N 2 2 332.448 1.350 20 0 EDADLP C[C@H](CC(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1)n1cc[nH+]c1 ZINC000940358106 700539655 /nfs/dbraw/zinc/53/96/55/700539655.db2.gz OZKWSMSDIWERRA-CQSZACIVSA-N 2 2 345.451 1.134 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940444847 700646726 /nfs/dbraw/zinc/64/67/26/700646726.db2.gz FLJSIPLGPCCUQM-INIZCTEOSA-N 2 2 348.491 1.750 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995105566 700923814 /nfs/dbraw/zinc/92/38/14/700923814.db2.gz AMKXLTPTEYEGOL-CABCVRRESA-N 2 2 327.432 1.730 20 0 EDADLP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C(C)(C)C2)nn1 ZINC000940842371 700938544 /nfs/dbraw/zinc/93/85/44/700938544.db2.gz DYTXOGRIYPRIKX-JKSUJKDBSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C(C)(C)C2)nn1 ZINC000940842371 700938545 /nfs/dbraw/zinc/93/85/45/700938545.db2.gz DYTXOGRIYPRIKX-JKSUJKDBSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C(C)(C)C2)nn1 ZINC000940842371 700938546 /nfs/dbraw/zinc/93/85/46/700938546.db2.gz DYTXOGRIYPRIKX-JKSUJKDBSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C(C)(C)C2)nn1 ZINC000940842371 700938547 /nfs/dbraw/zinc/93/85/47/700938547.db2.gz DYTXOGRIYPRIKX-JKSUJKDBSA-N 2 2 348.495 1.016 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995107950 700960001 /nfs/dbraw/zinc/96/00/01/700960001.db2.gz STEOJSXDMVNKBX-AAEUAGOBSA-N 2 2 326.391 1.872 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)C2)on1 ZINC000940893374 700968513 /nfs/dbraw/zinc/96/85/13/700968513.db2.gz PFNVLBJUABSQAO-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)C2)on1 ZINC000940893374 700968515 /nfs/dbraw/zinc/96/85/15/700968515.db2.gz PFNVLBJUABSQAO-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP CCc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995120273 701139740 /nfs/dbraw/zinc/13/97/40/701139740.db2.gz ZYPOBBDPKIBRRU-JSGCOSHPSA-N 2 2 331.420 1.577 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c(C)s1 ZINC000945806924 701197210 /nfs/dbraw/zinc/19/72/10/701197210.db2.gz GGSSFOYFVNFANT-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c(C)s1 ZINC000945806924 701197211 /nfs/dbraw/zinc/19/72/11/701197211.db2.gz GGSSFOYFVNFANT-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP C[C@H]1C[N@H+](Cc2cc(C3CC3)no2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809302 701201032 /nfs/dbraw/zinc/20/10/32/701201032.db2.gz SPHDVBKZPDVZFX-BBRMVZONSA-N 2 2 343.431 1.775 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cc(C3CC3)no2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809302 701201035 /nfs/dbraw/zinc/20/10/35/701201035.db2.gz SPHDVBKZPDVZFX-BBRMVZONSA-N 2 2 343.431 1.775 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945809934 701202757 /nfs/dbraw/zinc/20/27/57/701202757.db2.gz WFOTWKZQUYLETD-GXTWGEPZSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945809934 701202760 /nfs/dbraw/zinc/20/27/60/701202760.db2.gz WFOTWKZQUYLETD-GXTWGEPZSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC000941223297 701413885 /nfs/dbraw/zinc/41/38/85/701413885.db2.gz DWHHTHCSWZRPIM-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC000941223297 701413886 /nfs/dbraw/zinc/41/38/86/701413886.db2.gz DWHHTHCSWZRPIM-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)ncn1 ZINC000941247103 701423911 /nfs/dbraw/zinc/42/39/11/701423911.db2.gz CQWJDRSZJHFBJG-INIZCTEOSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)ncn1 ZINC000941247103 701423913 /nfs/dbraw/zinc/42/39/13/701423913.db2.gz CQWJDRSZJHFBJG-INIZCTEOSA-N 2 2 342.447 1.398 20 0 EDADLP CC1(C)C[N@H+](CC[C@H]2CCCO2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247461 701424245 /nfs/dbraw/zinc/42/42/45/701424245.db2.gz LJHJEQUAVVQLFV-CVEARBPZSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)C[N@@H+](CC[C@H]2CCCO2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247461 701424246 /nfs/dbraw/zinc/42/42/46/701424246.db2.gz LJHJEQUAVVQLFV-CVEARBPZSA-N 2 2 334.464 1.669 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cc(F)ccc3F)C2)CC1 ZINC001031947458 701502264 /nfs/dbraw/zinc/50/22/64/701502264.db2.gz GEXZUDYGLKOLHJ-UHFFFAOYSA-N 2 2 337.414 1.855 20 0 EDADLP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995727049 701762314 /nfs/dbraw/zinc/76/23/14/701762314.db2.gz BTXKWBLJVRJJTM-ZDUSSCGKSA-N 2 2 330.436 1.103 20 0 EDADLP Cc1ccncc1C[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032132254 701864316 /nfs/dbraw/zinc/86/43/16/701864316.db2.gz PSSBXUGUSDLEFX-UHFFFAOYSA-N 2 2 339.443 1.713 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995740674 701930830 /nfs/dbraw/zinc/93/08/30/701930830.db2.gz XYEPVDQRABSYJQ-OAHLLOKOSA-N 2 2 344.463 1.411 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCOC2CCC2)C[C@H]1C ZINC000944445231 702033157 /nfs/dbraw/zinc/03/31/57/702033157.db2.gz NXHYGGZHCNZQDW-CJNGLKHVSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@H]1C ZINC000944445231 702033163 /nfs/dbraw/zinc/03/31/63/702033163.db2.gz NXHYGGZHCNZQDW-CJNGLKHVSA-N 2 2 334.464 1.656 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC000995831914 702108106 /nfs/dbraw/zinc/10/81/06/702108106.db2.gz MFIOHGBLKSEAEJ-BZUAXINKSA-N 2 2 348.466 1.950 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2snnc2C)C1 ZINC001032206063 702127524 /nfs/dbraw/zinc/12/75/24/702127524.db2.gz QRZWUVORSLAGTO-AWEZNQCLSA-N 2 2 337.493 1.269 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2snnc2C)C1 ZINC001032206063 702127526 /nfs/dbraw/zinc/12/75/26/702127526.db2.gz QRZWUVORSLAGTO-AWEZNQCLSA-N 2 2 337.493 1.269 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)cn2)C1 ZINC001032206132 702129183 /nfs/dbraw/zinc/12/91/83/702129183.db2.gz SJANJIFARFBJGW-KRWDZBQOSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ncccc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944101866 702216352 /nfs/dbraw/zinc/21/63/52/702216352.db2.gz XMNMVFGBHRQRFN-KDOFPFPSSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944101866 702216356 /nfs/dbraw/zinc/21/63/56/702216356.db2.gz XMNMVFGBHRQRFN-KDOFPFPSSA-N 2 2 341.459 1.693 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995916620 702277702 /nfs/dbraw/zinc/27/77/02/702277702.db2.gz SHUDIKUTYRBNJV-GJZGRUSLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995916620 702277706 /nfs/dbraw/zinc/27/77/06/702277706.db2.gz SHUDIKUTYRBNJV-GJZGRUSLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)s1 ZINC000944153673 702441892 /nfs/dbraw/zinc/44/18/92/702441892.db2.gz JFCTXJYUGACTDB-TZMCWYRMSA-N 2 2 349.504 1.269 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)s1 ZINC000944153673 702441897 /nfs/dbraw/zinc/44/18/97/702441897.db2.gz JFCTXJYUGACTDB-TZMCWYRMSA-N 2 2 349.504 1.269 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)o1 ZINC000996042834 702460359 /nfs/dbraw/zinc/46/03/59/702460359.db2.gz MWTAGLFFBJQQKS-ZDUSSCGKSA-N 2 2 346.435 1.164 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000996109087 702533846 /nfs/dbraw/zinc/53/38/46/702533846.db2.gz YPIPTBKSUAMYAQ-CVEARBPZSA-N 2 2 334.464 1.526 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996513160 702832491 /nfs/dbraw/zinc/83/24/91/702832491.db2.gz GMRBOOPGQFCVIW-INIZCTEOSA-N 2 2 327.432 1.384 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996519741 702855584 /nfs/dbraw/zinc/85/55/84/702855584.db2.gz QMZVVWJDMRXXQJ-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996519741 702855587 /nfs/dbraw/zinc/85/55/87/702855587.db2.gz QMZVVWJDMRXXQJ-KBPBESRZSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cnc(C)nc2)C(C)(C)C1 ZINC000996561883 702875820 /nfs/dbraw/zinc/87/58/20/702875820.db2.gz JJVZGHPXZLILBD-INIZCTEOSA-N 2 2 342.447 1.386 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000995241322 702896278 /nfs/dbraw/zinc/89/62/78/702896278.db2.gz FBANFQSLHXTDNZ-ZIAGYGMSSA-N 2 2 333.461 1.723 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000996651156 702941022 /nfs/dbraw/zinc/94/10/22/702941022.db2.gz NNPWKCVBLFHMJJ-UHFFFAOYSA-N 2 2 326.391 1.968 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000996651156 702941023 /nfs/dbraw/zinc/94/10/23/702941023.db2.gz NNPWKCVBLFHMJJ-UHFFFAOYSA-N 2 2 326.391 1.968 20 0 EDADLP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)n1 ZINC000996649379 702951090 /nfs/dbraw/zinc/95/10/90/702951090.db2.gz CHEANRYQBLJXMO-UHFFFAOYSA-N 2 2 344.463 1.901 20 0 EDADLP CCn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995253056 702972424 /nfs/dbraw/zinc/97/24/24/702972424.db2.gz SIBDFHGLEVSSBH-HUUCEWRRSA-N 2 2 330.436 1.174 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(C)c(C)o2)C[C@@H]1C ZINC000942517546 703010680 /nfs/dbraw/zinc/01/06/80/703010680.db2.gz BLISGNLHRKWVIW-BLLLJJGKSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2nc(C)c(C)o2)C[C@@H]1C ZINC000942517546 703010681 /nfs/dbraw/zinc/01/06/81/703010681.db2.gz BLISGNLHRKWVIW-BLLLJJGKSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)no1 ZINC000942517760 703010799 /nfs/dbraw/zinc/01/07/99/703010799.db2.gz FXISQBFPRPAKNO-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)no1 ZINC000942517760 703010802 /nfs/dbraw/zinc/01/08/02/703010802.db2.gz FXISQBFPRPAKNO-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)s1 ZINC000942518370 703013936 /nfs/dbraw/zinc/01/39/36/703013936.db2.gz QQVWDQNPQVSPCT-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)s1 ZINC000942518370 703013940 /nfs/dbraw/zinc/01/39/40/703013940.db2.gz QQVWDQNPQVSPCT-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996716324 703014745 /nfs/dbraw/zinc/01/47/45/703014745.db2.gz QHHYYMDNJWESPY-MRXNPFEDSA-N 2 2 327.432 1.613 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000942538404 703040043 /nfs/dbraw/zinc/04/00/43/703040043.db2.gz PJJRBSPUOCTVBJ-PBHICJAKSA-N 2 2 328.416 1.305 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000942538404 703040046 /nfs/dbraw/zinc/04/00/46/703040046.db2.gz PJJRBSPUOCTVBJ-PBHICJAKSA-N 2 2 328.416 1.305 20 0 EDADLP C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555245 703068823 /nfs/dbraw/zinc/06/88/23/703068823.db2.gz HDKBCLAPXIOKHZ-HOCLYGCPSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555245 703068824 /nfs/dbraw/zinc/06/88/24/703068824.db2.gz HDKBCLAPXIOKHZ-HOCLYGCPSA-N 2 2 348.495 1.016 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996803596 703093950 /nfs/dbraw/zinc/09/39/50/703093950.db2.gz GQDPOHMCVKQVNN-UHFFFAOYSA-N 2 2 343.431 1.531 20 0 EDADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC000996852760 703131301 /nfs/dbraw/zinc/13/13/01/703131301.db2.gz BTELXZVHHAHTNF-DGCLKSJQSA-N 2 2 332.370 1.598 20 0 EDADLP CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC000996854306 703132812 /nfs/dbraw/zinc/13/28/12/703132812.db2.gz GMGBSBFETLYRLF-QWRGUYRKSA-N 2 2 332.370 1.934 20 0 EDADLP CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C(F)(F)F ZINC000996855616 703133917 /nfs/dbraw/zinc/13/39/17/703133917.db2.gz IWUCROJHQFHYOA-AAEUAGOBSA-N 2 2 332.370 1.599 20 0 EDADLP CCc1cnc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000996861469 703144855 /nfs/dbraw/zinc/14/48/55/703144855.db2.gz WWZXZLKCOLKVTO-UHFFFAOYSA-N 2 2 331.420 1.604 20 0 EDADLP CC(C)(C)c1nnc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)[nH]1 ZINC000997043221 703292246 /nfs/dbraw/zinc/29/22/46/703292246.db2.gz WAABBCZJZISZFP-UHFFFAOYSA-N 2 2 345.451 1.149 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)nn1C ZINC000997086007 703331486 /nfs/dbraw/zinc/33/14/86/703331486.db2.gz SNDIVSDEFJXLPP-ZDUSSCGKSA-N 2 2 344.463 1.411 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)nn1C ZINC000997086007 703331489 /nfs/dbraw/zinc/33/14/89/703331489.db2.gz SNDIVSDEFJXLPP-ZDUSSCGKSA-N 2 2 344.463 1.411 20 0 EDADLP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032414515 703474599 /nfs/dbraw/zinc/47/45/99/703474599.db2.gz CEGYDOZIJPGKDJ-KBMXLJTQSA-N 2 2 334.439 1.795 20 0 EDADLP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001032414515 703474600 /nfs/dbraw/zinc/47/46/00/703474600.db2.gz CEGYDOZIJPGKDJ-KBMXLJTQSA-N 2 2 334.439 1.795 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000997220652 703498691 /nfs/dbraw/zinc/49/86/91/703498691.db2.gz DZBLVOCLSCOWFU-GFCCVEGCSA-N 2 2 346.435 1.548 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)c(C)o1 ZINC000997236206 703523276 /nfs/dbraw/zinc/52/32/76/703523276.db2.gz IFJNZXDDIQYTDL-UHFFFAOYSA-N 2 2 345.447 1.738 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)CCO1 ZINC000997237087 703523881 /nfs/dbraw/zinc/52/38/81/703523881.db2.gz OKFBVWPVOBQHOJ-HZPDHXFCSA-N 2 2 348.491 1.748 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC[NH+](CCCO)CC1 ZINC000997298457 703556488 /nfs/dbraw/zinc/55/64/88/703556488.db2.gz PAZYWXRYLQXZQK-HIFRSBDPSA-N 2 2 334.464 1.429 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000997309458 703566972 /nfs/dbraw/zinc/56/69/72/703566972.db2.gz LDSNJNRCKNRAKU-NSHDSACASA-N 2 2 332.408 1.225 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032445215 703622945 /nfs/dbraw/zinc/62/29/45/703622945.db2.gz ZUZRWCFFQJSQPC-ZOBUZTSGSA-N 2 2 344.459 1.615 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032445215 703622946 /nfs/dbraw/zinc/62/29/46/703622946.db2.gz ZUZRWCFFQJSQPC-ZOBUZTSGSA-N 2 2 344.459 1.615 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)OC)CC1 ZINC000921594349 703637819 /nfs/dbraw/zinc/63/78/19/703637819.db2.gz GWWCILJUDYQBSS-UHFFFAOYSA-N 2 2 336.432 1.439 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001032460560 703641751 /nfs/dbraw/zinc/64/17/51/703641751.db2.gz RPOSGQPGIBUNJT-BZSNNMDCSA-N 2 2 330.476 1.761 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001032460560 703641752 /nfs/dbraw/zinc/64/17/52/703641752.db2.gz RPOSGQPGIBUNJT-BZSNNMDCSA-N 2 2 330.476 1.761 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2csc(Cl)n2)CC1 ZINC000997412540 703668168 /nfs/dbraw/zinc/66/81/68/703668168.db2.gz CKZCDMWCYYZYED-UHFFFAOYSA-N 2 2 339.852 1.774 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC000997413943 703668651 /nfs/dbraw/zinc/66/86/51/703668651.db2.gz WWJIPPZSRQARFN-LLVKDONJSA-N 2 2 334.449 1.385 20 0 EDADLP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1)OC ZINC001032489370 703764397 /nfs/dbraw/zinc/76/43/97/703764397.db2.gz MXAZUYBJZONFHJ-IHRRRGAJSA-N 2 2 336.436 1.060 20 0 EDADLP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1)OC ZINC001032489370 703764399 /nfs/dbraw/zinc/76/43/99/703764399.db2.gz MXAZUYBJZONFHJ-IHRRRGAJSA-N 2 2 336.436 1.060 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C)on1 ZINC000947930599 703882671 /nfs/dbraw/zinc/88/26/71/703882671.db2.gz SUNMYLCWOAAAHD-ZIAGYGMSSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C)on1 ZINC000947930599 703882674 /nfs/dbraw/zinc/88/26/74/703882674.db2.gz SUNMYLCWOAAAHD-ZIAGYGMSSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1scnc1C ZINC001032522583 703969820 /nfs/dbraw/zinc/96/98/20/703969820.db2.gz MINJFMIGTVSSEM-KBPBESRZSA-N 2 2 331.445 1.442 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1scnc1C ZINC001032522583 703969823 /nfs/dbraw/zinc/96/98/23/703969823.db2.gz MINJFMIGTVSSEM-KBPBESRZSA-N 2 2 331.445 1.442 20 0 EDADLP C[C@H]1[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCN1C ZINC000922554442 703976988 /nfs/dbraw/zinc/97/69/88/703976988.db2.gz DXPJCDUHGQVJTJ-QFBILLFUSA-N 2 2 333.476 1.580 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC([NH2+]CC2CC2)C1 ZINC000999288314 706782307 /nfs/dbraw/zinc/78/23/07/706782307.db2.gz UVAJRQSJKKCYQZ-VJFUWPCTSA-N 2 2 335.492 1.619 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC([NH2+]CC2CC2)C1 ZINC000999288314 706782308 /nfs/dbraw/zinc/78/23/08/706782308.db2.gz UVAJRQSJKKCYQZ-VJFUWPCTSA-N 2 2 335.492 1.619 20 0 EDADLP CCOc1cccc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001004258549 704086943 /nfs/dbraw/zinc/08/69/43/704086943.db2.gz TXLQOYQEPYDZTE-UHFFFAOYSA-N 2 2 343.431 1.458 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033081070 704135933 /nfs/dbraw/zinc/13/59/33/704135933.db2.gz LSXDWCBBKWANFN-ZBFHGGJFSA-N 2 2 348.447 1.058 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC001033081070 704135935 /nfs/dbraw/zinc/13/59/35/704135935.db2.gz LSXDWCBBKWANFN-ZBFHGGJFSA-N 2 2 348.447 1.058 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997835095 704754235 /nfs/dbraw/zinc/75/42/35/704754235.db2.gz BGGSSVSAICLCNB-IAGOWNOFSA-N 2 2 339.443 1.937 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997835095 704754236 /nfs/dbraw/zinc/75/42/36/704754236.db2.gz BGGSSVSAICLCNB-IAGOWNOFSA-N 2 2 339.443 1.937 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)nn1C ZINC000944942573 704794829 /nfs/dbraw/zinc/79/48/29/704794829.db2.gz BIVOUSUHUICYDH-RHSMWYFYSA-N 2 2 333.480 1.151 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)oc1C ZINC000944964095 704830756 /nfs/dbraw/zinc/83/07/56/704830756.db2.gz FVZNDJPLDQKPNF-LRDDRELGSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)oc1C ZINC000944964095 704830760 /nfs/dbraw/zinc/83/07/60/704830760.db2.gz FVZNDJPLDQKPNF-LRDDRELGSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997915546 704979732 /nfs/dbraw/zinc/97/97/32/704979732.db2.gz MOSHLAVJRDBODP-UHFFFAOYSA-N 2 2 328.420 1.010 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000997951821 705071523 /nfs/dbraw/zinc/07/15/23/705071523.db2.gz KFILEKFHRYDILV-IEBWSBKVSA-N 2 2 346.475 1.528 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC000998224112 705553171 /nfs/dbraw/zinc/55/31/71/705553171.db2.gz XNSXHOAKNMWRRJ-WBVHZDCISA-N 2 2 348.491 1.606 20 0 EDADLP CCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C(F)(F)F ZINC000998304089 705706756 /nfs/dbraw/zinc/70/67/56/705706756.db2.gz NWDYDLJWHBTIOP-OLZOCXBDSA-N 2 2 332.370 1.742 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nnsc2Cl)C1 ZINC000998550644 705986906 /nfs/dbraw/zinc/98/69/06/705986906.db2.gz NWCAJIXXPJVAAU-RTYFJBAXSA-N 2 2 343.884 1.365 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000998554532 705989035 /nfs/dbraw/zinc/98/90/35/705989035.db2.gz YNBLEVRPHUBKBE-VQXHTEKXSA-N 2 2 343.378 1.180 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2nc(C(F)F)no2)C1 ZINC000998554532 705989038 /nfs/dbraw/zinc/98/90/38/705989038.db2.gz YNBLEVRPHUBKBE-VQXHTEKXSA-N 2 2 343.378 1.180 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3F)C2)C1 ZINC000998813559 706256570 /nfs/dbraw/zinc/25/65/70/706256570.db2.gz WELIUTJKJWUUHU-DOTOQJQBSA-N 2 2 335.423 1.237 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3F)C2)C1 ZINC000998813559 706256572 /nfs/dbraw/zinc/25/65/72/706256572.db2.gz WELIUTJKJWUUHU-DOTOQJQBSA-N 2 2 335.423 1.237 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]CC[C@H]2CCCO2)C1 ZINC000998986764 706418428 /nfs/dbraw/zinc/41/84/28/706418428.db2.gz JEGYNKHYAXZDJK-OFLPRAFFSA-N 2 2 347.459 1.781 20 0 EDADLP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)o1 ZINC000999008357 706428374 /nfs/dbraw/zinc/42/83/74/706428374.db2.gz WNFORYHQJXYXMG-WLYUNCDWSA-N 2 2 343.431 1.521 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712270 706818125 /nfs/dbraw/zinc/81/81/25/706818125.db2.gz QBKZDQKGLQFQOZ-COXVUDFISA-N 2 2 326.400 1.152 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712270 706818129 /nfs/dbraw/zinc/81/81/29/706818129.db2.gz QBKZDQKGLQFQOZ-COXVUDFISA-N 2 2 326.400 1.152 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]([NH2+]C[C@H]4CCOC4)C3)ccn12 ZINC000999153384 706582876 /nfs/dbraw/zinc/58/28/76/706582876.db2.gz OUIGBTGODJNYED-WBVHZDCISA-N 2 2 342.443 1.873 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC000999351242 706864091 /nfs/dbraw/zinc/86/40/91/706864091.db2.gz DQKCBFQVMYRNAB-ZIAGYGMSSA-N 2 2 349.479 1.758 20 0 EDADLP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1)C1CCC1 ZINC000999362637 706876619 /nfs/dbraw/zinc/87/66/19/706876619.db2.gz CGWKCXLHJNPETO-CQSZACIVSA-N 2 2 347.463 1.512 20 0 EDADLP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1)C1CCC1 ZINC000999362637 706876620 /nfs/dbraw/zinc/87/66/20/706876620.db2.gz CGWKCXLHJNPETO-CQSZACIVSA-N 2 2 347.463 1.512 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)on1 ZINC000999366995 706881146 /nfs/dbraw/zinc/88/11/46/706881146.db2.gz DETYTHMBSQPRAP-GDBMZVCRSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)no1 ZINC000999369700 706883489 /nfs/dbraw/zinc/88/34/89/706883489.db2.gz KGGBFSHVZRAKDV-ZBFHGGJFSA-N 2 2 343.431 1.838 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccc3nonc3c2)C1 ZINC000999475319 706984208 /nfs/dbraw/zinc/98/42/08/706984208.db2.gz WHUAPVNCOKMFAZ-UHFFFAOYSA-N 2 2 340.387 1.268 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999545011 707045202 /nfs/dbraw/zinc/04/52/02/707045202.db2.gz JWIMNUCWCDBULV-HOCLYGCPSA-N 2 2 343.431 1.523 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2cnc(Cl)s2)C1 ZINC000999605730 707070511 /nfs/dbraw/zinc/07/05/11/707070511.db2.gz OBDTXUBQBGMESB-UHFFFAOYSA-N 2 2 339.852 1.841 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]Cc2cscn2)C1 ZINC000999702094 707233068 /nfs/dbraw/zinc/23/30/68/707233068.db2.gz KEHQTZBMRSDLEL-UHFFFAOYSA-N 2 2 345.472 1.997 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000999686909 707239855 /nfs/dbraw/zinc/23/98/55/707239855.db2.gz BEAWVASAFDTKSM-DQPZFDDXSA-N 2 2 334.464 1.501 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999714352 707252362 /nfs/dbraw/zinc/25/23/62/707252362.db2.gz OMQPHHCLMNFIBL-AWEZNQCLSA-N 2 2 344.419 1.233 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999723173 707263602 /nfs/dbraw/zinc/26/36/02/707263602.db2.gz CTNLTGJLOUUJEY-HNNXBMFYSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001033264827 707287025 /nfs/dbraw/zinc/28/70/25/707287025.db2.gz DFXNDYSEKMUATN-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nnc(C)s2)C1 ZINC000999712873 707309701 /nfs/dbraw/zinc/30/97/01/707309701.db2.gz IGFOQAGRKGKFEM-TZMCWYRMSA-N 2 2 348.476 1.693 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000999775576 707335241 /nfs/dbraw/zinc/33/52/41/707335241.db2.gz LTEPKDUKBNUTIW-HOTGVXAUSA-N 2 2 334.464 1.502 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC000999777050 707337549 /nfs/dbraw/zinc/33/75/49/707337549.db2.gz QYGOAQVOMSWYAW-HOTGVXAUSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC000999752646 707354559 /nfs/dbraw/zinc/35/45/59/707354559.db2.gz GQKWAXMXEHCXBG-UHFFFAOYSA-N 2 2 344.463 1.353 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CC1 ZINC000946798416 707429853 /nfs/dbraw/zinc/42/98/53/707429853.db2.gz ZYQXCZWDYZWVKT-IYBDPMFKSA-N 2 2 339.443 1.718 20 0 EDADLP C[C@H]([NH2+]Cc1ncnn1C)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004846329 707434011 /nfs/dbraw/zinc/43/40/11/707434011.db2.gz KEWWDHZAQJBLAK-UONOGXRCSA-N 2 2 345.451 1.030 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803337 707464234 /nfs/dbraw/zinc/46/42/34/707464234.db2.gz BSGCGZHIXXREOP-ZACQAIPSSA-N 2 2 334.464 1.651 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC[C@@H]2C1 ZINC000946803337 707464236 /nfs/dbraw/zinc/46/42/36/707464236.db2.gz BSGCGZHIXXREOP-ZACQAIPSSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000999834295 707467047 /nfs/dbraw/zinc/46/70/47/707467047.db2.gz AYKPHEMJABBFQR-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)nn1C ZINC000999835305 707468995 /nfs/dbraw/zinc/46/89/95/707468995.db2.gz HXWNUBUKSOJYBP-HNNXBMFYSA-N 2 2 330.436 1.096 20 0 EDADLP CC(C)n1ncnc1C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999835329 707469060 /nfs/dbraw/zinc/46/90/60/707469060.db2.gz IFCIMECOEKDTBH-OAHLLOKOSA-N 2 2 345.451 1.226 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033317572 707504997 /nfs/dbraw/zinc/50/49/97/707504997.db2.gz BLEABUAXJSRLQF-OAHLLOKOSA-N 2 2 333.480 1.327 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033317572 707505005 /nfs/dbraw/zinc/50/50/05/707505005.db2.gz BLEABUAXJSRLQF-OAHLLOKOSA-N 2 2 333.480 1.327 20 0 EDADLP Cc1noc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001004872401 707513530 /nfs/dbraw/zinc/51/35/30/707513530.db2.gz YFPQXNUYHYLHDQ-CJNGLKHVSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1noc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001004872401 707513533 /nfs/dbraw/zinc/51/35/33/707513533.db2.gz YFPQXNUYHYLHDQ-CJNGLKHVSA-N 2 2 349.479 1.722 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999915303 707557678 /nfs/dbraw/zinc/55/76/78/707557678.db2.gz JBTGZWFYBCDJCC-UHFFFAOYSA-N 2 2 333.823 1.711 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001004894272 707576662 /nfs/dbraw/zinc/57/66/62/707576662.db2.gz GBJKZVTWVNYHFR-DZGCQCFKSA-N 2 2 346.435 1.442 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033208410 707675684 /nfs/dbraw/zinc/67/56/84/707675684.db2.gz NWRAGJMTFCWXLV-QWHCGFSZSA-N 2 2 344.381 1.931 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001033208410 707675686 /nfs/dbraw/zinc/67/56/86/707675686.db2.gz NWRAGJMTFCWXLV-QWHCGFSZSA-N 2 2 344.381 1.931 20 0 EDADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033211258 707691304 /nfs/dbraw/zinc/69/13/04/707691304.db2.gz INQAOGXOPBAONB-IAGOWNOFSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033211258 707691309 /nfs/dbraw/zinc/69/13/09/707691309.db2.gz INQAOGXOPBAONB-IAGOWNOFSA-N 2 2 346.475 1.405 20 0 EDADLP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC001004951539 707731872 /nfs/dbraw/zinc/73/18/72/707731872.db2.gz FETSZNRTULNQIV-GUYCJALGSA-N 2 2 342.447 1.610 20 0 EDADLP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC001032732445 707737912 /nfs/dbraw/zinc/73/79/12/707737912.db2.gz CAUAMRHSQWNMSD-OKZBNKHCSA-N 2 2 346.475 1.453 20 0 EDADLP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC001032732445 707737918 /nfs/dbraw/zinc/73/79/18/707737918.db2.gz CAUAMRHSQWNMSD-OKZBNKHCSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004968979 707794048 /nfs/dbraw/zinc/79/40/48/707794048.db2.gz YDDLEDJFXWVALP-ZFWWWQNUSA-N 2 2 330.436 1.245 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)C1CCCCC1 ZINC001032754131 707832040 /nfs/dbraw/zinc/83/20/40/707832040.db2.gz XZTWJBZMTVNPTP-BQFCYCMXSA-N 2 2 346.475 1.487 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)C1CCCCC1 ZINC001032754131 707832044 /nfs/dbraw/zinc/83/20/44/707832044.db2.gz XZTWJBZMTVNPTP-BQFCYCMXSA-N 2 2 346.475 1.487 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033430391 707860972 /nfs/dbraw/zinc/86/09/72/707860972.db2.gz RKIQENKTBOGFTJ-USXIJHARSA-N 2 2 346.475 1.625 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033430391 707860974 /nfs/dbraw/zinc/86/09/74/707860974.db2.gz RKIQENKTBOGFTJ-USXIJHARSA-N 2 2 346.475 1.625 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1nncs1 ZINC001004993595 707876367 /nfs/dbraw/zinc/87/63/67/707876367.db2.gz REVMEYKHAVYTHW-OCCSQVGLSA-N 2 2 348.476 1.602 20 0 EDADLP C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476330 707937813 /nfs/dbraw/zinc/93/78/13/707937813.db2.gz VVAIQAMYIUYYTC-NVXWUHKLSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@H](c1ncccn1)[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476330 707937815 /nfs/dbraw/zinc/93/78/15/707937815.db2.gz VVAIQAMYIUYYTC-NVXWUHKLSA-N 2 2 345.491 1.802 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033474374 707963536 /nfs/dbraw/zinc/96/35/36/707963536.db2.gz GLAWFGTUZOIYCW-INIZCTEOSA-N 2 2 348.495 1.063 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033474374 707963538 /nfs/dbraw/zinc/96/35/38/707963538.db2.gz GLAWFGTUZOIYCW-INIZCTEOSA-N 2 2 348.495 1.063 20 0 EDADLP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1C ZINC001001150622 708107779 /nfs/dbraw/zinc/10/77/79/708107779.db2.gz GYAYXHXRXAQGAS-KDOFPFPSSA-N 2 2 345.491 1.175 20 0 EDADLP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nn1C ZINC001001150622 708107781 /nfs/dbraw/zinc/10/77/81/708107781.db2.gz GYAYXHXRXAQGAS-KDOFPFPSSA-N 2 2 345.491 1.175 20 0 EDADLP Cc1cc(C[N@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)nn1C ZINC001001150622 708107782 /nfs/dbraw/zinc/10/77/82/708107782.db2.gz GYAYXHXRXAQGAS-KDOFPFPSSA-N 2 2 345.491 1.175 20 0 EDADLP Cc1cc(C[N@@H+]2CC=C(CNC(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)nn1C ZINC001001150622 708107784 /nfs/dbraw/zinc/10/77/84/708107784.db2.gz GYAYXHXRXAQGAS-KDOFPFPSSA-N 2 2 345.491 1.175 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCC1(F)F ZINC001032815076 708152334 /nfs/dbraw/zinc/15/23/34/708152334.db2.gz YQUWBXROHBDONT-ILXRZTDVSA-N 2 2 338.402 1.994 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCC1(F)F ZINC001032815076 708152336 /nfs/dbraw/zinc/15/23/36/708152336.db2.gz YQUWBXROHBDONT-ILXRZTDVSA-N 2 2 338.402 1.994 20 0 EDADLP O=C(NCC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001001560320 708165561 /nfs/dbraw/zinc/16/55/61/708165561.db2.gz HMJKTKWTJLGOMR-IAGOWNOFSA-N 2 2 346.475 1.310 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553479 708218120 /nfs/dbraw/zinc/21/81/20/708218120.db2.gz DAEDKZSQAIRJEA-GOEBONIOSA-N 2 2 343.431 1.449 20 0 EDADLP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033553479 708218123 /nfs/dbraw/zinc/21/81/23/708218123.db2.gz DAEDKZSQAIRJEA-GOEBONIOSA-N 2 2 343.431 1.449 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033616794 708343208 /nfs/dbraw/zinc/34/32/08/708343208.db2.gz MATGKWLUSFPWQE-INIZCTEOSA-N 2 2 334.464 1.610 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033616794 708343210 /nfs/dbraw/zinc/34/32/10/708343210.db2.gz MATGKWLUSFPWQE-INIZCTEOSA-N 2 2 334.464 1.610 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618021 708346034 /nfs/dbraw/zinc/34/60/34/708346034.db2.gz DQSWHJGTOTUJRC-CQSZACIVSA-N 2 2 345.447 1.852 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618021 708346037 /nfs/dbraw/zinc/34/60/37/708346037.db2.gz DQSWHJGTOTUJRC-CQSZACIVSA-N 2 2 345.447 1.852 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664470 708446011 /nfs/dbraw/zinc/44/60/11/708446011.db2.gz GZKMNOGYCYQFHF-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664470 708446013 /nfs/dbraw/zinc/44/60/13/708446013.db2.gz GZKMNOGYCYQFHF-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001033665756 708449019 /nfs/dbraw/zinc/44/90/19/708449019.db2.gz QSNJVDQWHGBEJO-QGZVFWFLSA-N 2 2 327.432 1.628 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033665756 708449021 /nfs/dbraw/zinc/44/90/21/708449021.db2.gz QSNJVDQWHGBEJO-QGZVFWFLSA-N 2 2 327.432 1.628 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033667391 708454581 /nfs/dbraw/zinc/45/45/81/708454581.db2.gz GEOZYYGQGCJANU-KBPBESRZSA-N 2 2 342.390 1.148 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033667391 708454583 /nfs/dbraw/zinc/45/45/83/708454583.db2.gz GEOZYYGQGCJANU-KBPBESRZSA-N 2 2 342.390 1.148 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001033675096 708483371 /nfs/dbraw/zinc/48/33/71/708483371.db2.gz LXDIHDLWXZUGEB-QWHCGFSZSA-N 2 2 337.386 1.192 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001033675096 708483373 /nfs/dbraw/zinc/48/33/73/708483373.db2.gz LXDIHDLWXZUGEB-QWHCGFSZSA-N 2 2 337.386 1.192 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](CCC(F)(F)F)C2)C1 ZINC001033675096 708483375 /nfs/dbraw/zinc/48/33/75/708483375.db2.gz LXDIHDLWXZUGEB-QWHCGFSZSA-N 2 2 337.386 1.192 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](CCC(F)(F)F)C2)C1 ZINC001033675096 708483376 /nfs/dbraw/zinc/48/33/76/708483376.db2.gz LXDIHDLWXZUGEB-QWHCGFSZSA-N 2 2 337.386 1.192 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ncccc3C)C2)C1 ZINC001033677808 708486834 /nfs/dbraw/zinc/48/68/34/708486834.db2.gz BYLABAKSZLQWQP-WMZOPIPTSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ncccc3C)C2)C1 ZINC001033677808 708486836 /nfs/dbraw/zinc/48/68/36/708486836.db2.gz BYLABAKSZLQWQP-WMZOPIPTSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ncccc3C)C2)C1 ZINC001033677808 708486839 /nfs/dbraw/zinc/48/68/39/708486839.db2.gz BYLABAKSZLQWQP-WMZOPIPTSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ncccc3C)C2)C1 ZINC001033677808 708486841 /nfs/dbraw/zinc/48/68/41/708486841.db2.gz BYLABAKSZLQWQP-WMZOPIPTSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccnc3C)C2)C1 ZINC001033679736 708489727 /nfs/dbraw/zinc/48/97/27/708489727.db2.gz LJOLRPAZEHVMSC-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccnc3C)C2)C1 ZINC001033679736 708489729 /nfs/dbraw/zinc/48/97/29/708489729.db2.gz LJOLRPAZEHVMSC-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccnc3C)C2)C1 ZINC001033679736 708489732 /nfs/dbraw/zinc/48/97/32/708489732.db2.gz LJOLRPAZEHVMSC-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccnc3C)C2)C1 ZINC001033679736 708489735 /nfs/dbraw/zinc/48/97/35/708489735.db2.gz LJOLRPAZEHVMSC-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001033680626 708491729 /nfs/dbraw/zinc/49/17/29/708491729.db2.gz PTXJYYOGIAIJQP-ROUUACIJSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001033680626 708491730 /nfs/dbraw/zinc/49/17/30/708491730.db2.gz PTXJYYOGIAIJQP-ROUUACIJSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001033680626 708491731 /nfs/dbraw/zinc/49/17/31/708491731.db2.gz PTXJYYOGIAIJQP-ROUUACIJSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001033680626 708491732 /nfs/dbraw/zinc/49/17/32/708491732.db2.gz PTXJYYOGIAIJQP-ROUUACIJSA-N 2 2 349.450 1.579 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033704242 708533344 /nfs/dbraw/zinc/53/33/44/708533344.db2.gz PYQBUCPTGVCLSN-SJORKVTESA-N 2 2 346.406 1.289 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033704242 708533348 /nfs/dbraw/zinc/53/33/48/708533348.db2.gz PYQBUCPTGVCLSN-SJORKVTESA-N 2 2 346.406 1.289 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001033837866 708867852 /nfs/dbraw/zinc/86/78/52/708867852.db2.gz KMUTYAJYDHHKGN-BZUAXINKSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001033837866 708867855 /nfs/dbraw/zinc/86/78/55/708867855.db2.gz KMUTYAJYDHHKGN-BZUAXINKSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nocc2C)C1 ZINC001033837866 708867858 /nfs/dbraw/zinc/86/78/58/708867858.db2.gz KMUTYAJYDHHKGN-BZUAXINKSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nocc2C)C1 ZINC001033837866 708867861 /nfs/dbraw/zinc/86/78/61/708867861.db2.gz KMUTYAJYDHHKGN-BZUAXINKSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001033838384 708868861 /nfs/dbraw/zinc/86/88/61/708868861.db2.gz NRNVQXDAJKAZNB-KBAYOESNSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001033838384 708868864 /nfs/dbraw/zinc/86/88/64/708868864.db2.gz NRNVQXDAJKAZNB-KBAYOESNSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001033838384 708868865 /nfs/dbraw/zinc/86/88/65/708868865.db2.gz NRNVQXDAJKAZNB-KBAYOESNSA-N 2 2 347.507 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001033838384 708868868 /nfs/dbraw/zinc/86/88/68/708868868.db2.gz NRNVQXDAJKAZNB-KBAYOESNSA-N 2 2 347.507 1.666 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001005406442 708904494 /nfs/dbraw/zinc/90/44/94/708904494.db2.gz AZOATLHPPNOIOG-DVOMOZLQSA-N 2 2 349.479 1.702 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001005406442 708904496 /nfs/dbraw/zinc/90/44/96/708904496.db2.gz AZOATLHPPNOIOG-DVOMOZLQSA-N 2 2 349.479 1.702 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3nc(C)no3)CC2)CC[N@@H+]1C ZINC001005416627 708947925 /nfs/dbraw/zinc/94/79/25/708947925.db2.gz VVXDUGUHDNDJQV-JKSUJKDBSA-N 2 2 349.479 1.531 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3nc(C)no3)CC2)CC[N@H+]1C ZINC001005416627 708947929 /nfs/dbraw/zinc/94/79/29/708947929.db2.gz VVXDUGUHDNDJQV-JKSUJKDBSA-N 2 2 349.479 1.531 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033882198 708981327 /nfs/dbraw/zinc/98/13/27/708981327.db2.gz YALBWCASPMYSJD-LSDHHAIUSA-N 2 2 334.464 1.392 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033882198 708981328 /nfs/dbraw/zinc/98/13/28/708981328.db2.gz YALBWCASPMYSJD-LSDHHAIUSA-N 2 2 334.464 1.392 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033882198 708981329 /nfs/dbraw/zinc/98/13/29/708981329.db2.gz YALBWCASPMYSJD-LSDHHAIUSA-N 2 2 334.464 1.392 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033882198 708981330 /nfs/dbraw/zinc/98/13/30/708981330.db2.gz YALBWCASPMYSJD-LSDHHAIUSA-N 2 2 334.464 1.392 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001034014567 709229818 /nfs/dbraw/zinc/22/98/18/709229818.db2.gz XVBFWJCXXCQGDF-CQSZACIVSA-N 2 2 334.489 1.662 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001034014567 709229821 /nfs/dbraw/zinc/22/98/21/709229821.db2.gz XVBFWJCXXCQGDF-CQSZACIVSA-N 2 2 334.489 1.662 20 0 EDADLP COc1cncc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034130257 709399256 /nfs/dbraw/zinc/39/92/56/709399256.db2.gz HFNWUYUIUGGUHW-ZBFHGGJFSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034130257 709399257 /nfs/dbraw/zinc/39/92/57/709399257.db2.gz HFNWUYUIUGGUHW-ZBFHGGJFSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001034130257 709399259 /nfs/dbraw/zinc/39/92/59/709399259.db2.gz HFNWUYUIUGGUHW-ZBFHGGJFSA-N 2 2 347.463 1.050 20 0 EDADLP COc1cncc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001034130257 709399260 /nfs/dbraw/zinc/39/92/60/709399260.db2.gz HFNWUYUIUGGUHW-ZBFHGGJFSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034136603 709407767 /nfs/dbraw/zinc/40/77/67/709407767.db2.gz LBBRKWWVKKVJPQ-HOCLYGCPSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001034136603 709407768 /nfs/dbraw/zinc/40/77/68/709407768.db2.gz LBBRKWWVKKVJPQ-HOCLYGCPSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001034136603 709407769 /nfs/dbraw/zinc/40/77/69/709407769.db2.gz LBBRKWWVKKVJPQ-HOCLYGCPSA-N 2 2 347.463 1.050 20 0 EDADLP COc1nccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001034136603 709407770 /nfs/dbraw/zinc/40/77/70/709407770.db2.gz LBBRKWWVKKVJPQ-HOCLYGCPSA-N 2 2 347.463 1.050 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC001002799683 709413538 /nfs/dbraw/zinc/41/35/38/709413538.db2.gz ARLSYVROZQGWPR-NVXWUHKLSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)o1 ZINC001002799683 709413540 /nfs/dbraw/zinc/41/35/40/709413540.db2.gz ARLSYVROZQGWPR-NVXWUHKLSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1cccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148301 709419721 /nfs/dbraw/zinc/41/97/21/709419721.db2.gz HMUCONBUFYPSAR-FUHWJXTLSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148301 709419722 /nfs/dbraw/zinc/41/97/22/709419722.db2.gz HMUCONBUFYPSAR-FUHWJXTLSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148301 709419725 /nfs/dbraw/zinc/41/97/25/709419725.db2.gz HMUCONBUFYPSAR-FUHWJXTLSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1cccnc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148301 709419727 /nfs/dbraw/zinc/41/97/27/709419727.db2.gz HMUCONBUFYPSAR-FUHWJXTLSA-N 2 2 346.475 1.191 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001002834932 709450756 /nfs/dbraw/zinc/45/07/56/709450756.db2.gz UXJCRJUIKHVAQO-GOSISDBHSA-N 2 2 345.491 1.325 20 0 EDADLP CCn1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1 ZINC001034217513 709573114 /nfs/dbraw/zinc/57/31/14/709573114.db2.gz SEXVIHWCZAGQQU-HLLBOEOZSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1 ZINC001034217513 709573118 /nfs/dbraw/zinc/57/31/18/709573118.db2.gz SEXVIHWCZAGQQU-HLLBOEOZSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001034217513 709573120 /nfs/dbraw/zinc/57/31/20/709573120.db2.gz SEXVIHWCZAGQQU-HLLBOEOZSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001034217513 709573123 /nfs/dbraw/zinc/57/31/23/709573123.db2.gz SEXVIHWCZAGQQU-HLLBOEOZSA-N 2 2 348.495 1.109 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)ncn1 ZINC001034270473 709676169 /nfs/dbraw/zinc/67/61/69/709676169.db2.gz HNVZKCGAFOVUNX-WMZOPIPTSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC001034270473 709676171 /nfs/dbraw/zinc/67/61/71/709676171.db2.gz HNVZKCGAFOVUNX-WMZOPIPTSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)ncn1 ZINC001034270473 709676173 /nfs/dbraw/zinc/67/61/73/709676173.db2.gz HNVZKCGAFOVUNX-WMZOPIPTSA-N 2 2 345.491 1.740 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)ncn1 ZINC001034270473 709676174 /nfs/dbraw/zinc/67/61/74/709676174.db2.gz HNVZKCGAFOVUNX-WMZOPIPTSA-N 2 2 345.491 1.740 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCCO2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001003181197 710097463 /nfs/dbraw/zinc/09/74/63/710097463.db2.gz ZLMJWWQTRVDZLW-YJBOKZPZSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1nnc([C@H](C)[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001034491242 710110682 /nfs/dbraw/zinc/11/06/82/710110682.db2.gz QFDZFXLERIOYAE-ZFWWWQNUSA-N 2 2 347.463 1.506 20 0 EDADLP Cc1nnc([C@H](C)[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001034491242 710110683 /nfs/dbraw/zinc/11/06/83/710110683.db2.gz QFDZFXLERIOYAE-ZFWWWQNUSA-N 2 2 347.463 1.506 20 0 EDADLP Cc1ncsc1C[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034491046 710111097 /nfs/dbraw/zinc/11/10/97/710111097.db2.gz PFMLQKHAAHZHNJ-CQSZACIVSA-N 2 2 347.488 1.898 20 0 EDADLP Cc1ncsc1C[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034491046 710111100 /nfs/dbraw/zinc/11/11/00/710111100.db2.gz PFMLQKHAAHZHNJ-CQSZACIVSA-N 2 2 347.488 1.898 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC001003210363 710121112 /nfs/dbraw/zinc/12/11/12/710121112.db2.gz PWUBDNJYULOYKO-LSDHHAIUSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC001003210363 710121114 /nfs/dbraw/zinc/12/11/14/710121114.db2.gz PWUBDNJYULOYKO-LSDHHAIUSA-N 2 2 346.475 1.440 20 0 EDADLP O=C(NC1CC[NH+](Cc2cncs2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001003195539 710131012 /nfs/dbraw/zinc/13/10/12/710131012.db2.gz ZABLEJOYDOCIGL-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC001003245150 710168996 /nfs/dbraw/zinc/16/89/96/710168996.db2.gz VQMHLPKJDBWUAO-UHFFFAOYSA-N 2 2 345.491 1.612 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001034546835 710220785 /nfs/dbraw/zinc/22/07/85/710220785.db2.gz KKYOCKIXHHAUGB-UONOGXRCSA-N 2 2 342.390 1.278 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001034546835 710220788 /nfs/dbraw/zinc/22/07/88/710220788.db2.gz KKYOCKIXHHAUGB-UONOGXRCSA-N 2 2 342.390 1.278 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC001003318115 710246574 /nfs/dbraw/zinc/24/65/74/710246574.db2.gz GOLFJGFGWGPMDP-UHFFFAOYSA-N 2 2 330.436 1.189 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cn(C)nn3)CC2)C1 ZINC001003483619 710378088 /nfs/dbraw/zinc/37/80/88/710378088.db2.gz SICDWJPRTXQSEQ-HNNXBMFYSA-N 2 2 348.495 1.018 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cn(C)nn3)CC2)C1 ZINC001003483619 710378090 /nfs/dbraw/zinc/37/80/90/710378090.db2.gz SICDWJPRTXQSEQ-HNNXBMFYSA-N 2 2 348.495 1.018 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC001003631124 710460389 /nfs/dbraw/zinc/46/03/89/710460389.db2.gz RJXGQQYMJQALHY-LRDDRELGSA-N 2 2 336.505 1.730 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC001003631124 710460390 /nfs/dbraw/zinc/46/03/90/710460390.db2.gz RJXGQQYMJQALHY-LRDDRELGSA-N 2 2 336.505 1.730 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000922220002 710463471 /nfs/dbraw/zinc/46/34/71/710463471.db2.gz OSVTUGYNSHWIPA-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005604999 710685081 /nfs/dbraw/zinc/68/50/81/710685081.db2.gz FHDJUFLUIRPPIT-JKSUJKDBSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005605504 710685782 /nfs/dbraw/zinc/68/57/82/710685782.db2.gz JMOZRZLPGXSYKN-JKSUJKDBSA-N 2 2 346.475 1.405 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744217 710937130 /nfs/dbraw/zinc/93/71/30/710937130.db2.gz OMTXGUHBFOKTGX-HDJSIYSDSA-N 2 2 331.420 1.774 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001034744005 710946613 /nfs/dbraw/zinc/94/66/13/710946613.db2.gz HASFCALUIXRDSM-JOCQHMNTSA-N 2 2 333.461 1.934 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976058 711082401 /nfs/dbraw/zinc/08/24/01/711082401.db2.gz MBTDJSJGZKGXBY-SJLPKXTDSA-N 2 2 347.459 1.059 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)c1 ZINC001032976058 711082404 /nfs/dbraw/zinc/08/24/04/711082404.db2.gz MBTDJSJGZKGXBY-SJLPKXTDSA-N 2 2 347.459 1.059 20 0 EDADLP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)c1 ZINC001032976058 711082408 /nfs/dbraw/zinc/08/24/08/711082408.db2.gz MBTDJSJGZKGXBY-SJLPKXTDSA-N 2 2 347.459 1.059 20 0 EDADLP COc1cccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)c1 ZINC001032976058 711082409 /nfs/dbraw/zinc/08/24/09/711082409.db2.gz MBTDJSJGZKGXBY-SJLPKXTDSA-N 2 2 347.459 1.059 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1 ZINC001032977839 711095784 /nfs/dbraw/zinc/09/57/84/711095784.db2.gz VEKRAFLGJAPLMI-MERNETFKSA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001032977839 711095787 /nfs/dbraw/zinc/09/57/87/711095787.db2.gz VEKRAFLGJAPLMI-MERNETFKSA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC001032977839 711095788 /nfs/dbraw/zinc/09/57/88/711095788.db2.gz VEKRAFLGJAPLMI-MERNETFKSA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](C/C=C\c2ccccc2)C1 ZINC001032977839 711095791 /nfs/dbraw/zinc/09/57/91/711095791.db2.gz VEKRAFLGJAPLMI-MERNETFKSA-N 2 2 343.471 1.563 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)nn1C ZINC001034801693 711142304 /nfs/dbraw/zinc/14/23/04/711142304.db2.gz PFEXTKJDQWPTOL-SHTZXODSSA-N 2 2 330.436 1.142 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001003977583 711150144 /nfs/dbraw/zinc/15/01/44/711150144.db2.gz WCVOSMKYYCBTOL-MRXNPFEDSA-N 2 2 334.464 1.358 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001003984594 711187401 /nfs/dbraw/zinc/18/74/01/711187401.db2.gz GCJLZDWYESZRGV-UHFFFAOYSA-N 2 2 345.491 1.640 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001034955488 711423646 /nfs/dbraw/zinc/42/36/46/711423646.db2.gz IMEULKQKXIJDOS-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001034955488 711423649 /nfs/dbraw/zinc/42/36/49/711423649.db2.gz IMEULKQKXIJDOS-HUUCEWRRSA-N 2 2 349.479 1.587 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1cscn1 ZINC001034958533 711432372 /nfs/dbraw/zinc/43/23/72/711432372.db2.gz KFMGOHIZCZABPV-HUUCEWRRSA-N 2 2 345.472 1.998 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3C[NH2+]C[C@H]3CCOC3)ccn12 ZINC001034937128 711438284 /nfs/dbraw/zinc/43/82/84/711438284.db2.gz DBHSZIOOCPVFIT-NVXWUHKLSA-N 2 2 342.443 1.873 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001034940092 711443396 /nfs/dbraw/zinc/44/33/96/711443396.db2.gz XFEWCHPUVILCGR-RBSFLKMASA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001034940092 711443397 /nfs/dbraw/zinc/44/33/97/711443397.db2.gz XFEWCHPUVILCGR-RBSFLKMASA-N 2 2 349.479 1.614 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC001004151794 711569821 /nfs/dbraw/zinc/56/98/21/711569821.db2.gz MRGOTNNKZWQHDO-CYBMUJFWSA-N 2 2 328.420 1.323 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001004151841 711569831 /nfs/dbraw/zinc/56/98/31/711569831.db2.gz NNROFRNDJIJLKZ-UHFFFAOYSA-N 2 2 331.420 1.523 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001004161729 711588750 /nfs/dbraw/zinc/58/87/50/711588750.db2.gz XNGLVAYZONNMIH-LLVKDONJSA-N 2 2 332.408 1.225 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946638572 712107108 /nfs/dbraw/zinc/10/71/08/712107108.db2.gz RCMYYXJKPYTFCE-OAGGEKHMSA-N 2 2 347.459 1.184 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946638572 712107110 /nfs/dbraw/zinc/10/71/10/712107110.db2.gz RCMYYXJKPYTFCE-OAGGEKHMSA-N 2 2 347.459 1.184 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)cn1 ZINC000557597597 306230534 /nfs/dbraw/zinc/23/05/34/306230534.db2.gz NBZYDUZBXKOQGB-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)cn1 ZINC000557597597 306230535 /nfs/dbraw/zinc/23/05/35/306230535.db2.gz NBZYDUZBXKOQGB-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP Cn1cc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000557597597 306230536 /nfs/dbraw/zinc/23/05/36/306230536.db2.gz NBZYDUZBXKOQGB-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP Cn1cc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000557597597 306230537 /nfs/dbraw/zinc/23/05/37/306230537.db2.gz NBZYDUZBXKOQGB-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP C[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000051758577 214103701 /nfs/dbraw/zinc/10/37/01/214103701.db2.gz DXKBFSZUMYZKMR-GJZGRUSLSA-N 2 2 338.496 1.364 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000367394144 282146259 /nfs/dbraw/zinc/14/62/59/282146259.db2.gz KVQCDWAMMSBPOB-GOSISDBHSA-N 2 2 346.475 1.470 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000173806094 231040259 /nfs/dbraw/zinc/04/02/59/231040259.db2.gz ZGNLUASPLNHJKE-GOEBONIOSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000173806094 231040262 /nfs/dbraw/zinc/04/02/62/231040262.db2.gz ZGNLUASPLNHJKE-GOEBONIOSA-N 2 2 342.447 1.891 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000417657034 282175530 /nfs/dbraw/zinc/17/55/30/282175530.db2.gz HFRMZVXOSSCALQ-WFASDCNBSA-N 2 2 340.418 1.866 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000558652455 306242248 /nfs/dbraw/zinc/24/22/48/306242248.db2.gz UKTQWPFAKRTUSO-AEFFLSMTSA-N 2 2 331.460 1.518 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000558652455 306242249 /nfs/dbraw/zinc/24/22/49/306242249.db2.gz UKTQWPFAKRTUSO-AEFFLSMTSA-N 2 2 331.460 1.518 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000174728403 529887382 /nfs/dbraw/zinc/88/73/82/529887382.db2.gz CEUNMDFKYNROLY-UHFFFAOYSA-N 2 2 347.438 1.945 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000174728403 529887383 /nfs/dbraw/zinc/88/73/83/529887383.db2.gz CEUNMDFKYNROLY-UHFFFAOYSA-N 2 2 347.438 1.945 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000328916367 539377652 /nfs/dbraw/zinc/37/76/52/539377652.db2.gz AKOADGMBCLZVER-INMHGKMJSA-N 2 2 332.448 1.015 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560044600 306260597 /nfs/dbraw/zinc/26/05/97/306260597.db2.gz JZPJXPODASSNPL-ZBFHGGJFSA-N 2 2 332.448 1.642 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000067042134 215106206 /nfs/dbraw/zinc/10/62/06/215106206.db2.gz PWCXSSKXBYSOHF-UHFFFAOYSA-N 2 2 348.491 1.612 20 0 EDADLP Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000560953617 306281226 /nfs/dbraw/zinc/28/12/26/306281226.db2.gz PXTYLAASLOWIND-OAHLLOKOSA-N 2 2 342.447 1.596 20 0 EDADLP Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000560953617 306281227 /nfs/dbraw/zinc/28/12/27/306281227.db2.gz PXTYLAASLOWIND-OAHLLOKOSA-N 2 2 342.447 1.596 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000248438502 539687327 /nfs/dbraw/zinc/68/73/27/539687327.db2.gz BWOYVEHVWZHLBF-MAUKXSAKSA-N 2 2 349.450 1.831 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000248438502 539687332 /nfs/dbraw/zinc/68/73/32/539687332.db2.gz BWOYVEHVWZHLBF-MAUKXSAKSA-N 2 2 349.450 1.831 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCc2sccc2C1 ZINC000151239539 539747231 /nfs/dbraw/zinc/74/72/31/539747231.db2.gz QIZGRJXSHTWDPA-UHFFFAOYSA-N 2 2 342.468 1.850 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441642 306298587 /nfs/dbraw/zinc/29/85/87/306298587.db2.gz CNCICXTXLKKBJH-MOPGFXCFSA-N 2 2 335.492 1.526 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441642 306298588 /nfs/dbraw/zinc/29/85/88/306298588.db2.gz CNCICXTXLKKBJH-MOPGFXCFSA-N 2 2 335.492 1.526 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441642 306298589 /nfs/dbraw/zinc/29/85/89/306298589.db2.gz CNCICXTXLKKBJH-MOPGFXCFSA-N 2 2 335.492 1.526 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441642 306298590 /nfs/dbraw/zinc/29/85/90/306298590.db2.gz CNCICXTXLKKBJH-MOPGFXCFSA-N 2 2 335.492 1.526 20 0 EDADLP C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000262680812 295830051 /nfs/dbraw/zinc/83/00/51/295830051.db2.gz XAOSJEUYMCYGKG-RDJZCZTQSA-N 2 2 346.475 1.560 20 0 EDADLP Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000181110662 234089698 /nfs/dbraw/zinc/08/96/98/234089698.db2.gz WUOPCBAUTVREEO-QGZVFWFLSA-N 2 2 348.491 1.389 20 0 EDADLP Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000181110662 234089700 /nfs/dbraw/zinc/08/97/00/234089700.db2.gz WUOPCBAUTVREEO-QGZVFWFLSA-N 2 2 348.491 1.389 20 0 EDADLP Cn1cc(C[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000181299395 234145351 /nfs/dbraw/zinc/14/53/51/234145351.db2.gz RBXHPQPEOIDPJP-QGZVFWFLSA-N 2 2 329.448 1.271 20 0 EDADLP Cn1cc(C[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000181299395 234145352 /nfs/dbraw/zinc/14/53/52/234145352.db2.gz RBXHPQPEOIDPJP-QGZVFWFLSA-N 2 2 329.448 1.271 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354268278 539941533 /nfs/dbraw/zinc/94/15/33/539941533.db2.gz WLYSUOLSGPLGDY-LSDHHAIUSA-N 2 2 336.484 1.528 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000359134330 539989935 /nfs/dbraw/zinc/98/99/35/539989935.db2.gz OTQCIIZNTPOXAC-LBPRGKRZSA-N 2 2 331.420 1.428 20 0 EDADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360727437 539998956 /nfs/dbraw/zinc/99/89/56/539998956.db2.gz WFRKJOCUUFLKAK-WKULXVSPSA-N 2 2 328.497 1.640 20 0 EDADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360727437 539998958 /nfs/dbraw/zinc/99/89/58/539998958.db2.gz WFRKJOCUUFLKAK-WKULXVSPSA-N 2 2 328.497 1.640 20 0 EDADLP Cc1cccc(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000280820003 540073418 /nfs/dbraw/zinc/07/34/18/540073418.db2.gz HUJITMGAIYHWAC-UHFFFAOYSA-N 2 2 333.480 1.258 20 0 EDADLP Cc1cc(N(C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nc(C)[nH+]1 ZINC000281508177 540076211 /nfs/dbraw/zinc/07/62/11/540076211.db2.gz PEDUZRPUOVAOCS-GJZGRUSLSA-N 2 2 332.427 1.876 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496906613 295907319 /nfs/dbraw/zinc/90/73/19/295907319.db2.gz GMVAIUYPJMFADQ-YOEHRIQHSA-N 2 2 329.485 1.726 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)cc2F)[C@H](C[NH3+])C1 ZINC000563491586 306335480 /nfs/dbraw/zinc/33/54/80/306335480.db2.gz PLVZAJALCWHJLL-SECBINFHSA-N 2 2 332.326 1.534 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)F)cc2F)[C@H](C[NH3+])C1 ZINC000563491586 306335481 /nfs/dbraw/zinc/33/54/81/306335481.db2.gz PLVZAJALCWHJLL-SECBINFHSA-N 2 2 332.326 1.534 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000563498863 306335909 /nfs/dbraw/zinc/33/59/09/306335909.db2.gz ARMNWZJUCQSSMS-ZBFHGGJFSA-N 2 2 344.459 1.659 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccccn3)CC2)CC1 ZINC000050797292 138133098 /nfs/dbraw/zinc/13/30/98/138133098.db2.gz CMNHPTIDYIVXGB-UHFFFAOYSA-N 2 2 330.476 1.689 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000072858386 138211309 /nfs/dbraw/zinc/21/13/09/138211309.db2.gz RBAAUHYYVXIXQB-NVXWUHKLSA-N 2 2 331.460 1.900 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000072858386 138211310 /nfs/dbraw/zinc/21/13/10/138211310.db2.gz RBAAUHYYVXIXQB-NVXWUHKLSA-N 2 2 331.460 1.900 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000072858386 138211312 /nfs/dbraw/zinc/21/13/12/138211312.db2.gz RBAAUHYYVXIXQB-NVXWUHKLSA-N 2 2 331.460 1.900 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000072858386 138211314 /nfs/dbraw/zinc/21/13/14/138211314.db2.gz RBAAUHYYVXIXQB-NVXWUHKLSA-N 2 2 331.460 1.900 20 0 EDADLP CC[N@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073897036 138221872 /nfs/dbraw/zinc/22/18/72/138221872.db2.gz PSHOBTPNEUSOPU-UHFFFAOYSA-N 3 2 339.528 1.188 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073897036 138221873 /nfs/dbraw/zinc/22/18/73/138221873.db2.gz PSHOBTPNEUSOPU-UHFFFAOYSA-N 3 2 339.528 1.188 20 0 EDADLP CC(C)Oc1cccc([C@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000563559040 306338825 /nfs/dbraw/zinc/33/88/25/306338825.db2.gz UNPSGBGTJGFLIT-GOEBONIOSA-N 2 2 334.464 1.819 20 0 EDADLP CC(C)Oc1cccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000563559040 306338826 /nfs/dbraw/zinc/33/88/26/306338826.db2.gz UNPSGBGTJGFLIT-GOEBONIOSA-N 2 2 334.464 1.819 20 0 EDADLP CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000093203341 138292632 /nfs/dbraw/zinc/29/26/32/138292632.db2.gz BUMAHGWTRRPSBV-UHFFFAOYSA-N 2 2 331.460 1.608 20 0 EDADLP CCCOc1ccc2c(c1)CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000093203341 138292633 /nfs/dbraw/zinc/29/26/33/138292633.db2.gz BUMAHGWTRRPSBV-UHFFFAOYSA-N 2 2 331.460 1.608 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)CC1 ZINC000119142620 138313547 /nfs/dbraw/zinc/31/35/47/138313547.db2.gz HAUDJRYAKHKVED-MRXNPFEDSA-N 2 2 345.553 1.159 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc2ncsc2c1 ZINC000563595251 306340694 /nfs/dbraw/zinc/34/06/94/306340694.db2.gz VYAOVJKWEFTWDT-WCQYABFASA-N 2 2 333.461 1.642 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc2ncsc2c1 ZINC000563595251 306340695 /nfs/dbraw/zinc/34/06/95/306340695.db2.gz VYAOVJKWEFTWDT-WCQYABFASA-N 2 2 333.461 1.642 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000130577210 138342402 /nfs/dbraw/zinc/34/24/02/138342402.db2.gz ZJVJISQDSWJWFK-SFHVURJKSA-N 2 2 338.455 1.832 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000563617364 306342347 /nfs/dbraw/zinc/34/23/47/306342347.db2.gz BQCRLCBRDPMVQB-QILLFSRXSA-N 2 2 334.460 1.788 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000563617364 306342348 /nfs/dbraw/zinc/34/23/48/306342348.db2.gz BQCRLCBRDPMVQB-QILLFSRXSA-N 2 2 334.460 1.788 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cncc(F)c1 ZINC000133704057 138397082 /nfs/dbraw/zinc/39/70/82/138397082.db2.gz OIZHYCLIPQYVKJ-HNNXBMFYSA-N 2 2 344.438 1.874 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000343606086 283336591 /nfs/dbraw/zinc/33/65/91/283336591.db2.gz MKGSXDSBOQIWFI-IKGGRYGDSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000343606086 283336595 /nfs/dbraw/zinc/33/65/95/283336595.db2.gz MKGSXDSBOQIWFI-IKGGRYGDSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000343606086 283336598 /nfs/dbraw/zinc/33/65/98/283336598.db2.gz MKGSXDSBOQIWFI-IKGGRYGDSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000343606086 283336603 /nfs/dbraw/zinc/33/66/03/283336603.db2.gz MKGSXDSBOQIWFI-IKGGRYGDSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc3ccccc3n2)C[C@@H](C)O1 ZINC000564202207 306356596 /nfs/dbraw/zinc/35/65/96/306356596.db2.gz CZGJRKQPNTVERJ-RKVPGOIHSA-N 2 2 329.444 1.795 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)C1CCC1 ZINC000564323745 306358309 /nfs/dbraw/zinc/35/83/09/306358309.db2.gz WNDJLEIOVJJBAZ-GOSISDBHSA-N 2 2 345.443 1.229 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CCCC2)no1 ZINC000565028030 306373107 /nfs/dbraw/zinc/37/31/07/306373107.db2.gz FJFYPYSBUASICY-KBPBESRZSA-N 2 2 349.479 1.924 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129347179 223046719 /nfs/dbraw/zinc/04/67/19/223046719.db2.gz OKZPJJNFARDKPE-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129347179 223046721 /nfs/dbraw/zinc/04/67/21/223046721.db2.gz OKZPJJNFARDKPE-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCN2CCNC(=O)C2)C1 ZINC000565215556 306378834 /nfs/dbraw/zinc/37/88/34/306378834.db2.gz BGBNKVHCVUSJAI-FUHWJXTLSA-N 2 2 330.476 1.233 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCN2CCNC(=O)C2)C1 ZINC000565215556 306378835 /nfs/dbraw/zinc/37/88/35/306378835.db2.gz BGBNKVHCVUSJAI-FUHWJXTLSA-N 2 2 330.476 1.233 20 0 EDADLP COc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(Cl)c1OCC(N)=O ZINC000072953631 216330950 /nfs/dbraw/zinc/33/09/50/216330950.db2.gz BSOWBTAMAWEGDK-UHFFFAOYSA-N 2 2 341.839 1.397 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCCCN12 ZINC000566128442 306399096 /nfs/dbraw/zinc/39/90/96/306399096.db2.gz DCCDUYFDNKSPTL-CEXWTWQISA-N 2 2 343.471 1.149 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCCCN12 ZINC000566128442 306399097 /nfs/dbraw/zinc/39/90/97/306399097.db2.gz DCCDUYFDNKSPTL-CEXWTWQISA-N 2 2 343.471 1.149 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000414827196 304145300 /nfs/dbraw/zinc/14/53/00/304145300.db2.gz GVNCWPIDWFOVGH-QGZVFWFLSA-N 3 2 326.448 1.018 20 0 EDADLP C[NH+]1CCN(c2ncc(CNC[C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000414827196 304145302 /nfs/dbraw/zinc/14/53/02/304145302.db2.gz GVNCWPIDWFOVGH-QGZVFWFLSA-N 2 2 326.448 1.018 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414830080 304145526 /nfs/dbraw/zinc/14/55/26/304145526.db2.gz LRAVBPHKNODJJI-KRWDZBQOSA-N 2 2 329.448 1.355 20 0 EDADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415046254 304154167 /nfs/dbraw/zinc/15/41/67/304154167.db2.gz UTOXOOOSKPTNMB-IBGZPJMESA-N 3 2 335.467 1.801 20 0 EDADLP COc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000415119613 304161160 /nfs/dbraw/zinc/16/11/60/304161160.db2.gz ZABCFZQCHYDVOC-CYBMUJFWSA-N 2 2 326.462 1.975 20 0 EDADLP COc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000415119613 304161162 /nfs/dbraw/zinc/16/11/62/304161162.db2.gz ZABCFZQCHYDVOC-CYBMUJFWSA-N 2 2 326.462 1.975 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000195140906 139007769 /nfs/dbraw/zinc/00/77/69/139007769.db2.gz GBUXBJIDJXUJQN-HNNXBMFYSA-N 2 2 331.464 1.557 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCOCC1 ZINC000236679043 139028539 /nfs/dbraw/zinc/02/85/39/139028539.db2.gz CQDCMWOCOPDYHG-OALUTQOASA-N 2 2 345.487 1.564 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000237011084 139037968 /nfs/dbraw/zinc/03/79/68/139037968.db2.gz NGYGGWRNDPNWAH-BBRMVZONSA-N 2 2 333.480 1.930 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000237164086 139042761 /nfs/dbraw/zinc/04/27/61/139042761.db2.gz JWGBXNCAJMCWFF-LJQANCHMSA-N 3 2 344.503 1.751 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCCCC1 ZINC000237259275 139045709 /nfs/dbraw/zinc/04/57/09/139045709.db2.gz OBCDDMDEGDDLEZ-IRXDYDNUSA-N 2 2 347.459 1.327 20 0 EDADLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000237435097 139051021 /nfs/dbraw/zinc/05/10/21/139051021.db2.gz PNXKJTCFEOLVLN-CZUORRHYSA-N 2 2 337.851 1.534 20 0 EDADLP C[C@@H](CNC(=O)NCCc1cn2ccccc2[nH+]1)C[NH+]1CCCC1 ZINC000079953553 217266782 /nfs/dbraw/zinc/26/67/82/217266782.db2.gz NZAJMKFQIPQACH-HNNXBMFYSA-N 2 2 329.448 1.908 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000111451477 220156240 /nfs/dbraw/zinc/15/62/40/220156240.db2.gz OQYMMKJBZPBBQG-MRXNPFEDSA-N 2 2 333.480 1.936 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000111451477 220156243 /nfs/dbraw/zinc/15/62/43/220156243.db2.gz OQYMMKJBZPBBQG-MRXNPFEDSA-N 2 2 333.480 1.936 20 0 EDADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000237890844 139063046 /nfs/dbraw/zinc/06/30/46/139063046.db2.gz KQCMTKBAALZHCQ-MQVJKMGUSA-N 2 2 325.416 1.804 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245450775 139075556 /nfs/dbraw/zinc/07/55/56/139075556.db2.gz OXNRCHMPQROTEG-NVXWUHKLSA-N 2 2 347.459 1.118 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245450775 139075557 /nfs/dbraw/zinc/07/55/57/139075557.db2.gz OXNRCHMPQROTEG-NVXWUHKLSA-N 2 2 347.459 1.118 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245450775 139075558 /nfs/dbraw/zinc/07/55/58/139075558.db2.gz OXNRCHMPQROTEG-NVXWUHKLSA-N 2 2 347.459 1.118 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245450775 139075559 /nfs/dbraw/zinc/07/55/59/139075559.db2.gz OXNRCHMPQROTEG-NVXWUHKLSA-N 2 2 347.459 1.118 20 0 EDADLP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000245931733 139090485 /nfs/dbraw/zinc/09/04/85/139090485.db2.gz ZEPLJMKNGSTIKJ-RDJZCZTQSA-N 2 2 344.459 1.615 20 0 EDADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000245938323 139090556 /nfs/dbraw/zinc/09/05/56/139090556.db2.gz ANJXHDIYWMCMSA-VYDXJSESSA-N 2 2 347.459 1.426 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000247055828 139133633 /nfs/dbraw/zinc/13/36/33/139133633.db2.gz NMGWBQNRDKDJHD-FXAWDEMLSA-N 3 2 346.519 1.728 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000247055828 139133634 /nfs/dbraw/zinc/13/36/34/139133634.db2.gz NMGWBQNRDKDJHD-FXAWDEMLSA-N 3 2 346.519 1.728 20 0 EDADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363944353 296247274 /nfs/dbraw/zinc/24/72/74/296247274.db2.gz ZNRULNGGZPMYGG-KRWDZBQOSA-N 2 2 326.400 1.419 20 0 EDADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247211687 139140763 /nfs/dbraw/zinc/14/07/63/139140763.db2.gz VVABPGOLJRBUCW-BPQIPLTHSA-N 2 2 330.476 1.893 20 0 EDADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247211687 139140764 /nfs/dbraw/zinc/14/07/64/139140764.db2.gz VVABPGOLJRBUCW-BPQIPLTHSA-N 2 2 330.476 1.893 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000261578299 139209190 /nfs/dbraw/zinc/20/91/90/139209190.db2.gz DCBMVQKTHGFYQC-KURKYZTESA-N 2 2 331.460 1.521 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000261578299 139209191 /nfs/dbraw/zinc/20/91/91/139209191.db2.gz DCBMVQKTHGFYQC-KURKYZTESA-N 2 2 331.460 1.521 20 0 EDADLP COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(OC)c1OC ZINC000261737581 139221996 /nfs/dbraw/zinc/22/19/96/139221996.db2.gz SIQXXDSOFTYFPE-OAHLLOKOSA-N 2 2 335.448 1.192 20 0 EDADLP COc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(OC)c1OC ZINC000261737580 139222099 /nfs/dbraw/zinc/22/20/99/139222099.db2.gz SIQXXDSOFTYFPE-HNNXBMFYSA-N 2 2 335.448 1.192 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(Cc3noc(C[NH3+])n3)CC2)c1 ZINC000261759469 139223749 /nfs/dbraw/zinc/22/37/49/139223749.db2.gz NXXNOKUHGINPCG-ZDUSSCGKSA-N 2 2 331.420 1.416 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)C[C@@H]3CCC[NH2+]C3)C2=O)c1 ZINC000261792235 139226472 /nfs/dbraw/zinc/22/64/72/139226472.db2.gz GGTGRNDESOUQAA-KDOFPFPSSA-N 2 2 347.459 1.741 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)C[C@@H]3CCC[NH2+]C3)C2=O)c1 ZINC000261792235 139226473 /nfs/dbraw/zinc/22/64/73/139226473.db2.gz GGTGRNDESOUQAA-KDOFPFPSSA-N 2 2 347.459 1.741 20 0 EDADLP c1[nH]nc2c1cccc2C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261814361 139228421 /nfs/dbraw/zinc/22/84/21/139228421.db2.gz SYMRTXCBUHBXHF-UHFFFAOYSA-N 2 2 337.431 1.637 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000262066007 139247836 /nfs/dbraw/zinc/24/78/36/139247836.db2.gz RPIMRTQIDDQIIQ-SFHVURJKSA-N 2 2 341.459 1.692 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000262066007 139247837 /nfs/dbraw/zinc/24/78/37/139247837.db2.gz RPIMRTQIDDQIIQ-SFHVURJKSA-N 2 2 341.459 1.692 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc2[nH+]1 ZINC000415497398 250972282 /nfs/dbraw/zinc/97/22/82/250972282.db2.gz HQAVRXZLGMNTMP-AWEZNQCLSA-N 2 2 331.420 1.413 20 0 EDADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000262229842 139261926 /nfs/dbraw/zinc/26/19/26/139261926.db2.gz NUAVPOBGLBCOHC-ALOPSCKCSA-N 2 2 344.459 1.455 20 0 EDADLP COCC[NH+]1CCN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000569352993 306504907 /nfs/dbraw/zinc/50/49/07/306504907.db2.gz JWCAJWNSSOPTDA-GFCCVEGCSA-N 2 2 348.369 1.247 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+]C[C@H]3C)c[nH+]2)C[C@H](C)O1 ZINC000416987269 251119675 /nfs/dbraw/zinc/11/96/75/251119675.db2.gz MNLNZGNYTOHHHB-KFWWJZLASA-N 2 2 347.463 1.199 20 0 EDADLP [NH3+]C[C@@H]1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000416993929 251121143 /nfs/dbraw/zinc/12/11/43/251121143.db2.gz SZKHSEXZEBHDON-HNNXBMFYSA-N 2 2 331.464 1.952 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000416991566 251121239 /nfs/dbraw/zinc/12/12/39/251121239.db2.gz QPRUHDDXCFNEJU-HOCLYGCPSA-N 2 2 331.464 1.951 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1c(F)cccc1F ZINC000417659343 251215013 /nfs/dbraw/zinc/21/50/13/251215013.db2.gz LDQNFLWLQSUMRI-ZOWXZIJZSA-N 2 2 338.402 1.428 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000417663270 251218751 /nfs/dbraw/zinc/21/87/51/251218751.db2.gz UQDHPJPSFIMQNJ-SLEUVZQESA-N 2 2 340.418 1.946 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)s1 ZINC000417834627 251289906 /nfs/dbraw/zinc/28/99/06/251289906.db2.gz SSNVGTPCBYOJCF-ZIAGYGMSSA-N 2 2 338.477 1.172 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC(C)(C)C[NH3+])[NH+]2CCOCC2)s1 ZINC000417833380 251290220 /nfs/dbraw/zinc/29/02/20/251290220.db2.gz RSNIEHLUJPLAOR-ZDUSSCGKSA-N 2 2 340.493 1.466 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000569459558 306508282 /nfs/dbraw/zinc/50/82/82/306508282.db2.gz WKUYLRUHQAEVSJ-CQSZACIVSA-N 2 2 342.447 1.457 20 0 EDADLP [NH3+]CCN(Cc1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418109816 251324789 /nfs/dbraw/zinc/32/47/89/251324789.db2.gz DDWZKTVTNUIQSR-UHFFFAOYSA-N 2 2 332.448 1.022 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417855978 251298789 /nfs/dbraw/zinc/29/87/89/251298789.db2.gz VSAZLNASDMEZPU-RDJZCZTQSA-N 2 2 341.459 1.923 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418202212 251357061 /nfs/dbraw/zinc/35/70/61/251357061.db2.gz BZDFTSUMCCAMOE-SFHVURJKSA-N 2 2 346.475 1.063 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418202212 251357065 /nfs/dbraw/zinc/35/70/65/251357065.db2.gz BZDFTSUMCCAMOE-SFHVURJKSA-N 2 2 346.475 1.063 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000418714792 251393758 /nfs/dbraw/zinc/39/37/58/251393758.db2.gz AWSSAWNUFNORLX-CABCVRRESA-N 2 2 344.450 1.891 20 0 EDADLP CC[C@H](COC)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262635317 139291920 /nfs/dbraw/zinc/29/19/20/139291920.db2.gz YWMLHPSHMKYDCJ-WBVHZDCISA-N 2 2 330.432 1.342 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262693990 139296912 /nfs/dbraw/zinc/29/69/12/139296912.db2.gz CEQRUEFYUUDFKI-SFHVURJKSA-N 2 2 336.455 1.581 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000262748750 139301049 /nfs/dbraw/zinc/30/10/49/139301049.db2.gz BDTKLBYWWWWBFE-MRXNPFEDSA-N 2 2 330.432 1.496 20 0 EDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)c3coc(C[NH3+])c3)cc2)CC1 ZINC000262809485 139305268 /nfs/dbraw/zinc/30/52/68/139305268.db2.gz UQYMPNLIIYISGA-UHFFFAOYSA-N 2 2 342.443 1.416 20 0 EDADLP CN1CC[NH+](Cc2ccc(CNC(=O)c3coc(C[NH3+])c3)cc2)CC1 ZINC000262809485 139305269 /nfs/dbraw/zinc/30/52/69/139305269.db2.gz UQYMPNLIIYISGA-UHFFFAOYSA-N 2 2 342.443 1.416 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)[C@@H]1CCC[NH2+]1 ZINC000422882758 252010751 /nfs/dbraw/zinc/01/07/51/252010751.db2.gz TWCCSMSTAKVAPO-RVKKMQEKSA-N 2 2 330.432 1.361 20 0 EDADLP c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(N2CCCCC2)n1 ZINC000422894286 252015680 /nfs/dbraw/zinc/01/56/80/252015680.db2.gz BZCOWACTJFGKQR-HKUYNNGSSA-N 2 2 330.476 1.929 20 0 EDADLP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422902324 252016814 /nfs/dbraw/zinc/01/68/14/252016814.db2.gz MVNONPHPFKLHKY-PBHICJAKSA-N 2 2 339.505 1.946 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422867674 252004642 /nfs/dbraw/zinc/00/46/42/252004642.db2.gz SUATVGAZCNSMSV-AAEUAGOBSA-N 2 2 333.354 1.879 20 0 EDADLP O=C1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CN1Cc1ccccc1C(F)(F)F ZINC000423056249 252029211 /nfs/dbraw/zinc/02/92/11/252029211.db2.gz XWIREKDSXLJAPD-CHWSQXEVSA-N 2 2 327.350 1.758 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423670189 252065735 /nfs/dbraw/zinc/06/57/35/252065735.db2.gz LXTXZAFTOGZMOS-ROUUACIJSA-N 2 2 331.460 1.491 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913233 252020852 /nfs/dbraw/zinc/02/08/52/252020852.db2.gz POTPRRGNJNPDDM-QFBILLFUSA-N 3 2 344.503 1.600 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423948053 252106964 /nfs/dbraw/zinc/10/69/64/252106964.db2.gz JQBAKBMILBCHDC-INIZCTEOSA-N 2 2 327.432 1.965 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@H]1c1ccccc1F ZINC000424023120 252117448 /nfs/dbraw/zinc/11/74/48/252117448.db2.gz ALJOZLWUDZRLKV-DOTOQJQBSA-N 2 2 338.386 1.969 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424030848 252120282 /nfs/dbraw/zinc/12/02/82/252120282.db2.gz RWONTFRWTAKTPJ-CGTJXYLNSA-N 2 2 349.450 1.580 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424030848 252120286 /nfs/dbraw/zinc/12/02/86/252120286.db2.gz RWONTFRWTAKTPJ-CGTJXYLNSA-N 2 2 349.450 1.580 20 0 EDADLP Cn1cc(C(=O)NCCCNc2cccc[nH+]2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424129032 252133724 /nfs/dbraw/zinc/13/37/24/252133724.db2.gz FVKCYOFLRBKGAO-CQSZACIVSA-N 2 2 342.447 1.514 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccccc1Cn1cccn1 ZINC000424339889 252197414 /nfs/dbraw/zinc/19/74/14/252197414.db2.gz XENQEJSXUJLKJE-QZTJIDSGSA-N 2 2 341.459 1.407 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[NH+](C)C)c1 ZINC000262977107 139316438 /nfs/dbraw/zinc/31/64/38/139316438.db2.gz MKHLOSOLDPPEFM-KBPBESRZSA-N 2 2 327.375 1.411 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000424436382 252229872 /nfs/dbraw/zinc/22/98/72/252229872.db2.gz MMSZSFKOKFHUNZ-QGZVFWFLSA-N 2 2 332.448 1.782 20 0 EDADLP CC(C)n1c[nH+]cc1CNc1nc(N2CCn3cnnc3C2)cc[nH+]1 ZINC000424731744 252270367 /nfs/dbraw/zinc/27/03/67/252270367.db2.gz ZWTVOYCGOOWMJJ-UHFFFAOYSA-N 2 2 339.407 1.478 20 0 EDADLP Brc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000261582418 532962335 /nfs/dbraw/zinc/96/23/35/532962335.db2.gz RELLTCKEXXMTHL-NSHDSACASA-N 2 2 330.295 1.990 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000263760698 139358511 /nfs/dbraw/zinc/35/85/11/139358511.db2.gz LFMZHKDDIRPYEP-UHFFFAOYSA-N 2 2 345.447 1.309 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000263760698 139358512 /nfs/dbraw/zinc/35/85/12/139358512.db2.gz LFMZHKDDIRPYEP-UHFFFAOYSA-N 2 2 345.447 1.309 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415784301 304269774 /nfs/dbraw/zinc/26/97/74/304269774.db2.gz DZKJCRLNRPTGPN-QMMMGPOBSA-N 2 2 330.230 1.769 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000493714941 255220052 /nfs/dbraw/zinc/22/00/52/255220052.db2.gz ZWJIFRLBWMCJCE-HJHHMULASA-N 2 2 327.350 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000493714941 255220053 /nfs/dbraw/zinc/22/00/53/255220053.db2.gz ZWJIFRLBWMCJCE-HJHHMULASA-N 2 2 327.350 1.820 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000493042675 255189507 /nfs/dbraw/zinc/18/95/07/255189507.db2.gz COORLKDVFRVSNS-SREVYHEPSA-N 2 2 340.427 1.566 20 0 EDADLP CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3[nH]cc[nH+]3)cn2)CC1 ZINC000493117541 255192360 /nfs/dbraw/zinc/19/23/60/255192360.db2.gz CYTHQSPNQDBTAH-GQCTYLIASA-N 2 2 340.431 1.276 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000494469275 255251768 /nfs/dbraw/zinc/25/17/68/255251768.db2.gz DFEMXBFNMGRBER-AEFFLSMTSA-N 2 2 343.471 1.349 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000494469275 255251769 /nfs/dbraw/zinc/25/17/69/255251769.db2.gz DFEMXBFNMGRBER-AEFFLSMTSA-N 2 2 343.471 1.349 20 0 EDADLP O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000494466237 255251850 /nfs/dbraw/zinc/25/18/50/255251850.db2.gz OZUQVUDDLYFUDJ-ICSRJNTNSA-N 2 2 343.471 1.488 20 0 EDADLP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000494606001 255255571 /nfs/dbraw/zinc/25/55/71/255255571.db2.gz DNUKSBKIJMDMCC-UHFFFAOYSA-N 2 2 337.424 1.015 20 0 EDADLP C[NH+]1CCC(CNC(=O)CC[C@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000494647751 255256432 /nfs/dbraw/zinc/25/64/32/255256432.db2.gz JAZUOSAGRCWPOJ-QGZVFWFLSA-N 3 2 336.524 1.585 20 0 EDADLP COC[C@@H]1CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000458486063 285281171 /nfs/dbraw/zinc/28/11/71/285281171.db2.gz VHGIXYRZBMTEGH-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCN(C)CC1 ZINC000117803224 221091088 /nfs/dbraw/zinc/09/10/88/221091088.db2.gz GHGHKCMGLHSWQH-INIZCTEOSA-N 2 2 341.459 1.486 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)ccc2[nH+]1 ZINC000415844473 304280647 /nfs/dbraw/zinc/28/06/47/304280647.db2.gz JBCWENXYLIMICW-DGCLKSJQSA-N 2 2 329.404 1.025 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1 ZINC000415930283 304285805 /nfs/dbraw/zinc/28/58/05/304285805.db2.gz KAPOEPWIGHZLRZ-PBHICJAKSA-N 2 2 332.448 1.733 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H](C)O1 ZINC000271321517 140278056 /nfs/dbraw/zinc/27/80/56/140278056.db2.gz OQQGZARABOBBMP-GJZGRUSLSA-N 2 2 343.431 1.496 20 0 EDADLP Cc1cccc2[nH+]c(CN3C(=O)N[C@]4(CCCC[C@H]4C[NH3+])C3=O)cn21 ZINC000571998084 306579037 /nfs/dbraw/zinc/57/90/37/306579037.db2.gz OBMVIWWLLUMYOM-UGSOOPFHSA-N 2 2 341.415 1.582 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000572117638 306581708 /nfs/dbraw/zinc/58/17/08/306581708.db2.gz JCFKQRXJHXCZPS-CABCVRRESA-N 2 2 329.435 1.812 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000331904294 141096058 /nfs/dbraw/zinc/09/60/58/141096058.db2.gz WSDMGUYLZRTPAF-RDJZCZTQSA-N 2 2 346.475 1.797 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000331904294 141096059 /nfs/dbraw/zinc/09/60/59/141096059.db2.gz WSDMGUYLZRTPAF-RDJZCZTQSA-N 2 2 346.475 1.797 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)C[C@@H](C)O1 ZINC000331968820 141104770 /nfs/dbraw/zinc/10/47/70/141104770.db2.gz JJXASMAKTGBVEK-CKEIUWERSA-N 2 2 344.475 1.217 20 0 EDADLP [NH3+]C1CCC(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000332509214 141193334 /nfs/dbraw/zinc/19/33/34/141193334.db2.gz CQDKVNMHOSXWJA-UHFFFAOYSA-N 2 2 334.439 1.923 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc[nH+]1 ZINC000333674366 141354493 /nfs/dbraw/zinc/35/44/93/141354493.db2.gz NRAKAGXRHXPDNI-ZXFNITATSA-N 2 2 331.464 1.890 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333866931 141397234 /nfs/dbraw/zinc/39/72/34/141397234.db2.gz AZPHNOXSUHTCLX-IAGOWNOFSA-N 2 2 343.475 1.965 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333866933 141397302 /nfs/dbraw/zinc/39/73/02/141397302.db2.gz AZPHNOXSUHTCLX-IRXDYDNUSA-N 2 2 343.475 1.965 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[NH+]1CCOCC1 ZINC000339536218 142069412 /nfs/dbraw/zinc/06/94/12/142069412.db2.gz HFZYBSBAUJHBCK-WBVHZDCISA-N 2 2 338.496 1.080 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000339632980 142101589 /nfs/dbraw/zinc/10/15/89/142101589.db2.gz BARBFGFGSINTBT-UHFFFAOYSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000339678111 142117102 /nfs/dbraw/zinc/11/71/02/142117102.db2.gz RLLKWTMYWYMAKI-BBWFWOEESA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000339678111 142117104 /nfs/dbraw/zinc/11/71/04/142117104.db2.gz RLLKWTMYWYMAKI-BBWFWOEESA-N 2 2 325.497 1.581 20 0 EDADLP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000339700530 142124893 /nfs/dbraw/zinc/12/48/93/142124893.db2.gz HXACPRSCUKSLKS-OAHLLOKOSA-N 2 2 337.439 1.437 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCSC1 ZINC000339975896 142218169 /nfs/dbraw/zinc/21/81/69/142218169.db2.gz OHSBJNVHYKTOOY-KRWDZBQOSA-N 2 2 344.484 1.985 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCSC1 ZINC000339975896 142218170 /nfs/dbraw/zinc/21/81/70/142218170.db2.gz OHSBJNVHYKTOOY-KRWDZBQOSA-N 2 2 344.484 1.985 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000340181669 142294432 /nfs/dbraw/zinc/29/44/32/142294432.db2.gz WQIJIGXNPRGPCR-PBHICJAKSA-N 2 2 346.454 1.649 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000340181374 142294625 /nfs/dbraw/zinc/29/46/25/142294625.db2.gz KXNVZOICEIDGCP-INIZCTEOSA-N 2 2 333.476 1.817 20 0 EDADLP CO[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340249398 142319229 /nfs/dbraw/zinc/31/92/29/142319229.db2.gz HDCILOJTROVQPR-HZPDHXFCSA-N 2 2 326.485 1.269 20 0 EDADLP CCCN(CC[NH+](C)C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000344865951 143021449 /nfs/dbraw/zinc/02/14/49/143021449.db2.gz VEJSSEKKRMZRAK-UHFFFAOYSA-N 2 2 333.480 1.004 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000344898053 143024788 /nfs/dbraw/zinc/02/47/88/143024788.db2.gz YAGPLZUTVWYDBU-OAHLLOKOSA-N 2 2 347.507 1.325 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000344898053 143024789 /nfs/dbraw/zinc/02/47/89/143024789.db2.gz YAGPLZUTVWYDBU-OAHLLOKOSA-N 2 2 347.507 1.325 20 0 EDADLP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000345924823 143147801 /nfs/dbraw/zinc/14/78/01/143147801.db2.gz RWWWTQHTNLCLFE-RHSMWYFYSA-N 2 2 342.447 1.750 20 0 EDADLP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000345924823 143147802 /nfs/dbraw/zinc/14/78/02/143147802.db2.gz RWWWTQHTNLCLFE-RHSMWYFYSA-N 2 2 342.447 1.750 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000346538654 143214800 /nfs/dbraw/zinc/21/48/00/143214800.db2.gz DNOPLQVHFXHHDF-BZUAXINKSA-N 2 2 332.448 1.228 20 0 EDADLP C[C@@H]1CN(CC[N@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)CCO1 ZINC000346938821 143263937 /nfs/dbraw/zinc/26/39/37/143263937.db2.gz UGTWYKIHDQMHCG-LMMKCTJWSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)CCO1 ZINC000346938821 143263938 /nfs/dbraw/zinc/26/39/38/143263938.db2.gz UGTWYKIHDQMHCG-LMMKCTJWSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)CCO1 ZINC000346938821 143263939 /nfs/dbraw/zinc/26/39/39/143263939.db2.gz UGTWYKIHDQMHCG-LMMKCTJWSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)CCO1 ZINC000346938821 143263940 /nfs/dbraw/zinc/26/39/40/143263940.db2.gz UGTWYKIHDQMHCG-LMMKCTJWSA-N 2 2 349.523 1.456 20 0 EDADLP CCO[C@H](C)c1noc(CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346992953 143269227 /nfs/dbraw/zinc/26/92/27/143269227.db2.gz UFWPDONSRMLWIX-HUUCEWRRSA-N 2 2 337.468 1.284 20 0 EDADLP COc1ccncc1C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000347179836 143291722 /nfs/dbraw/zinc/29/17/22/143291722.db2.gz ZZNJFCVLJISYCB-HZPDHXFCSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ccncc1C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000347179836 143291723 /nfs/dbraw/zinc/29/17/23/143291723.db2.gz ZZNJFCVLJISYCB-HZPDHXFCSA-N 2 2 347.438 1.868 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC000347716156 143353369 /nfs/dbraw/zinc/35/33/69/143353369.db2.gz GRQRCDMGNZGQQT-MRXNPFEDSA-N 2 2 327.517 1.040 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(C)C ZINC000347716156 143353370 /nfs/dbraw/zinc/35/33/70/143353370.db2.gz GRQRCDMGNZGQQT-MRXNPFEDSA-N 2 2 327.517 1.040 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000347732310 143355795 /nfs/dbraw/zinc/35/57/95/143355795.db2.gz YEKRZAZCDFJOPT-MRXNPFEDSA-N 2 2 342.443 1.516 20 0 EDADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc(OC)c1O ZINC000347791056 143363571 /nfs/dbraw/zinc/36/35/71/143363571.db2.gz FVMRWUUKYNPBLF-HNNXBMFYSA-N 2 2 338.448 1.592 20 0 EDADLP C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000573425788 306620272 /nfs/dbraw/zinc/62/02/72/306620272.db2.gz FYIDPDWHBMRPDU-BZUAXINKSA-N 2 2 325.497 1.817 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000416893906 304353872 /nfs/dbraw/zinc/35/38/72/304353872.db2.gz YBNODLOWIMLPDB-ROUUACIJSA-N 2 2 346.475 1.501 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCC[N@H+](C)C1CC1 ZINC000352731687 149135086 /nfs/dbraw/zinc/13/50/86/149135086.db2.gz PDNUXCOEFMCFQE-UHFFFAOYSA-N 2 2 333.358 1.681 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCC[N@@H+](C)C1CC1 ZINC000352731687 149135087 /nfs/dbraw/zinc/13/50/87/149135087.db2.gz PDNUXCOEFMCFQE-UHFFFAOYSA-N 2 2 333.358 1.681 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000352762838 149154584 /nfs/dbraw/zinc/15/45/84/149154584.db2.gz YKYXXTIHNYALGU-DLBZAZTESA-N 2 2 331.460 1.206 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000352762838 149154586 /nfs/dbraw/zinc/15/45/86/149154586.db2.gz YKYXXTIHNYALGU-DLBZAZTESA-N 2 2 331.460 1.206 20 0 EDADLP COc1cc(C[C@H](CO)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc(OC)c1 ZINC000352808945 149175691 /nfs/dbraw/zinc/17/56/91/149175691.db2.gz DQKGPBCLNXFDPO-UVFQYZLESA-N 2 2 348.487 1.927 20 0 EDADLP COc1cc(C[C@H](CO)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(OC)c1 ZINC000352808945 149175692 /nfs/dbraw/zinc/17/56/92/149175692.db2.gz DQKGPBCLNXFDPO-UVFQYZLESA-N 2 2 348.487 1.927 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246403362 286094251 /nfs/dbraw/zinc/09/42/51/286094251.db2.gz LBZBWWIEKSWQOO-IAGOWNOFSA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246403362 286094254 /nfs/dbraw/zinc/09/42/54/286094254.db2.gz LBZBWWIEKSWQOO-IAGOWNOFSA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246403362 286094256 /nfs/dbraw/zinc/09/42/56/286094256.db2.gz LBZBWWIEKSWQOO-IAGOWNOFSA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCNC(=O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246403362 286094258 /nfs/dbraw/zinc/09/42/58/286094258.db2.gz LBZBWWIEKSWQOO-IAGOWNOFSA-N 2 2 325.497 1.726 20 0 EDADLP Cc1[nH]nc2ncc(C[NH+]3CCN(C(=O)C[NH+]4CCCC4)CC3)cc12 ZINC000353268428 149345502 /nfs/dbraw/zinc/34/55/02/149345502.db2.gz QUMIDURCLXFKMU-UHFFFAOYSA-N 2 2 342.447 1.006 20 0 EDADLP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416963546 304356040 /nfs/dbraw/zinc/35/60/40/304356040.db2.gz VGGADAXXCUDTNK-GOEBONIOSA-N 2 2 327.432 1.605 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000353342745 149372679 /nfs/dbraw/zinc/37/26/79/149372679.db2.gz XPLBFWBRCMXWLO-CRAIPNDOSA-N 2 2 347.459 1.739 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000353342745 149372681 /nfs/dbraw/zinc/37/26/81/149372681.db2.gz XPLBFWBRCMXWLO-CRAIPNDOSA-N 2 2 347.459 1.739 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353405777 149393856 /nfs/dbraw/zinc/39/38/56/149393856.db2.gz WMCCBQFATRGMMM-QZTJIDSGSA-N 2 2 329.444 1.200 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000353422573 149398449 /nfs/dbraw/zinc/39/84/49/149398449.db2.gz BDNKXJLEYHWXJM-JHNDHUHGSA-N 2 2 346.475 1.700 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000416977307 304359569 /nfs/dbraw/zinc/35/95/69/304359569.db2.gz AWHZMZBELYMBPQ-CHWSQXEVSA-N 2 2 335.452 1.232 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369962806 155255311 /nfs/dbraw/zinc/25/53/11/155255311.db2.gz OQEFAGNWWZPTPL-YYIAUSFCSA-N 2 2 325.497 1.721 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369962806 155255315 /nfs/dbraw/zinc/25/53/15/155255315.db2.gz OQEFAGNWWZPTPL-YYIAUSFCSA-N 2 2 325.497 1.721 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354897448 150018210 /nfs/dbraw/zinc/01/82/10/150018210.db2.gz JYXGBLJBCMZSOY-HUUCEWRRSA-N 2 2 327.469 1.154 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354897448 150018212 /nfs/dbraw/zinc/01/82/12/150018212.db2.gz JYXGBLJBCMZSOY-HUUCEWRRSA-N 2 2 327.469 1.154 20 0 EDADLP Cc1cc(C)n([C@@H](C)C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000354986070 150066179 /nfs/dbraw/zinc/06/61/79/150066179.db2.gz WCVWDNQTXFKBCE-IRXDYDNUSA-N 2 2 347.507 1.688 20 0 EDADLP Cc1cc(C)n([C@@H](C)C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000354986070 150066183 /nfs/dbraw/zinc/06/61/83/150066183.db2.gz WCVWDNQTXFKBCE-IRXDYDNUSA-N 2 2 347.507 1.688 20 0 EDADLP C[C@H](CO)CCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355065284 150099663 /nfs/dbraw/zinc/09/96/63/150099663.db2.gz IGYSRCXKPRFYED-HOTGVXAUSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@H](CO)CCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355065284 150099665 /nfs/dbraw/zinc/09/96/65/150099665.db2.gz IGYSRCXKPRFYED-HOTGVXAUSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000416983483 304361441 /nfs/dbraw/zinc/36/14/41/304361441.db2.gz JICXTPFRZJOFPS-MGPQQGTHSA-N 2 2 335.452 1.089 20 0 EDADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000355352846 150228474 /nfs/dbraw/zinc/22/84/74/150228474.db2.gz WASKTDBUYPBKQH-QRVBRYPASA-N 2 2 343.471 1.583 20 0 EDADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000355352846 150228475 /nfs/dbraw/zinc/22/84/75/150228475.db2.gz WASKTDBUYPBKQH-QRVBRYPASA-N 2 2 343.471 1.583 20 0 EDADLP CC[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000355352846 150228480 /nfs/dbraw/zinc/22/84/80/150228480.db2.gz WASKTDBUYPBKQH-QRVBRYPASA-N 2 2 343.471 1.583 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000355466979 150281533 /nfs/dbraw/zinc/28/15/33/150281533.db2.gz AGTFLZZZRJAFCM-OAHLLOKOSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000355466979 150281536 /nfs/dbraw/zinc/28/15/36/150281536.db2.gz AGTFLZZZRJAFCM-OAHLLOKOSA-N 2 2 347.463 1.154 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH+](C)C ZINC000355700265 150365543 /nfs/dbraw/zinc/36/55/43/150365543.db2.gz BOWDBVRNCMZBFM-INIZCTEOSA-N 2 2 346.431 1.778 20 0 EDADLP [NH3+]C[C@@H]1CCCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417043505 304365582 /nfs/dbraw/zinc/36/55/82/304365582.db2.gz ROQZFJMXMBYZND-DLBZAZTESA-N 2 2 332.448 1.193 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000357625451 151090177 /nfs/dbraw/zinc/09/01/77/151090177.db2.gz SNQOVTCLLFUETA-CVEARBPZSA-N 2 2 333.480 1.245 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357638499 151095754 /nfs/dbraw/zinc/09/57/54/151095754.db2.gz SOVCKBSAGDTZTL-YESZJQIVSA-N 2 2 339.524 1.943 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357638499 151095757 /nfs/dbraw/zinc/09/57/57/151095757.db2.gz SOVCKBSAGDTZTL-YESZJQIVSA-N 2 2 339.524 1.943 20 0 EDADLP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642616 151097834 /nfs/dbraw/zinc/09/78/34/151097834.db2.gz CHVXGQFJVQUVDK-OAHLLOKOSA-N 2 2 331.460 1.353 20 0 EDADLP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642616 151097836 /nfs/dbraw/zinc/09/78/36/151097836.db2.gz CHVXGQFJVQUVDK-OAHLLOKOSA-N 2 2 331.460 1.353 20 0 EDADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653411 151103094 /nfs/dbraw/zinc/10/30/94/151103094.db2.gz WQMOGHBAXYIMGR-UHFFFAOYSA-N 2 2 339.867 1.975 20 0 EDADLP Cc1c(Cl)cccc1NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653411 151103097 /nfs/dbraw/zinc/10/30/97/151103097.db2.gz WQMOGHBAXYIMGR-UHFFFAOYSA-N 2 2 339.867 1.975 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357655508 151103878 /nfs/dbraw/zinc/10/38/78/151103878.db2.gz ZOKJETJPUSQOKI-JKSUJKDBSA-N 2 2 325.497 1.555 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357655508 151103881 /nfs/dbraw/zinc/10/38/81/151103881.db2.gz ZOKJETJPUSQOKI-JKSUJKDBSA-N 2 2 325.497 1.555 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000358020908 151237053 /nfs/dbraw/zinc/23/70/53/151237053.db2.gz MXAYDAKDFBAGAD-ZQIUZPCESA-N 2 2 339.505 1.928 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000358020908 151237055 /nfs/dbraw/zinc/23/70/55/151237055.db2.gz MXAYDAKDFBAGAD-ZQIUZPCESA-N 2 2 339.505 1.928 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)CC(=O)NCCc1ccccc1 ZINC000358175881 151296081 /nfs/dbraw/zinc/29/60/81/151296081.db2.gz ZUXIIAIOCINFFX-MSOLQXFVSA-N 2 2 347.503 1.824 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000237625776 292254278 /nfs/dbraw/zinc/25/42/78/292254278.db2.gz RZFRBDPZDSETNT-PKOBYXMFSA-N 2 2 331.460 1.484 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)cc1 ZINC000370111423 155329063 /nfs/dbraw/zinc/32/90/63/155329063.db2.gz KIRWMLBMZHACQB-SFHVURJKSA-N 2 2 346.475 1.054 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)cc1 ZINC000370111423 155329064 /nfs/dbraw/zinc/32/90/64/155329064.db2.gz KIRWMLBMZHACQB-SFHVURJKSA-N 2 2 346.475 1.054 20 0 EDADLP CO[C@@](C)(C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC1 ZINC000360389865 152016686 /nfs/dbraw/zinc/01/66/86/152016686.db2.gz CEIYGSGTFYHSSC-SUTQANCOSA-N 2 2 335.492 1.571 20 0 EDADLP CO[C@@](C)(C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC1 ZINC000360389865 152016689 /nfs/dbraw/zinc/01/66/89/152016689.db2.gz CEIYGSGTFYHSSC-SUTQANCOSA-N 2 2 335.492 1.571 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(N2CCCC2=O)c1 ZINC000360536404 152085237 /nfs/dbraw/zinc/08/52/37/152085237.db2.gz VQIYBJKICOKIBI-LJQANCHMSA-N 2 2 342.443 1.437 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(N2CCCC2=O)c1 ZINC000360536404 152085241 /nfs/dbraw/zinc/08/52/41/152085241.db2.gz VQIYBJKICOKIBI-LJQANCHMSA-N 2 2 342.443 1.437 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360564917 152098627 /nfs/dbraw/zinc/09/86/27/152098627.db2.gz SFZMBQXRKBRLCB-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360564917 152098634 /nfs/dbraw/zinc/09/86/34/152098634.db2.gz SFZMBQXRKBRLCB-IBGZPJMESA-N 2 2 331.460 1.599 20 0 EDADLP CC[C@@H](C)[C@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000360831885 152223819 /nfs/dbraw/zinc/22/38/19/152223819.db2.gz UBBKMJREJPDPKV-CVEARBPZSA-N 2 2 325.497 1.460 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360939623 152258874 /nfs/dbraw/zinc/25/88/74/152258874.db2.gz BRZWORGGWVVUOJ-HKUYNNGSSA-N 4 2 331.508 1.524 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360939623 152258876 /nfs/dbraw/zinc/25/88/76/152258876.db2.gz BRZWORGGWVVUOJ-HKUYNNGSSA-N 4 2 331.508 1.524 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(CCO)CCCC2)CC1 ZINC000360952832 152262555 /nfs/dbraw/zinc/26/25/55/152262555.db2.gz BTMPGNNLRFFVAW-UHFFFAOYSA-N 2 2 326.481 1.936 20 0 EDADLP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H](O)C(F)(F)F ZINC000360952416 152262819 /nfs/dbraw/zinc/26/28/19/152262819.db2.gz ZZEAQHNMNZSYLI-TZMCWYRMSA-N 2 2 340.386 1.695 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CO)CC(F)(F)F)CC1 ZINC000360964641 152265048 /nfs/dbraw/zinc/26/50/48/152265048.db2.gz WEQZKRINPFXARG-GFCCVEGCSA-N 2 2 326.359 1.307 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000361022005 152281879 /nfs/dbraw/zinc/28/18/79/152281879.db2.gz CVZLMMVYCLJWMP-LJQANCHMSA-N 2 2 332.492 1.746 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000361022005 152281881 /nfs/dbraw/zinc/28/18/81/152281881.db2.gz CVZLMMVYCLJWMP-LJQANCHMSA-N 2 2 332.492 1.746 20 0 EDADLP CC(C)c1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc(N(C)C)[nH+]1 ZINC000361103818 152306234 /nfs/dbraw/zinc/30/62/34/152306234.db2.gz DEKUCFIUSFKKBO-OAHLLOKOSA-N 2 2 333.480 1.825 20 0 EDADLP Cn1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C(F)F)n1 ZINC000361181505 152327740 /nfs/dbraw/zinc/32/77/40/152327740.db2.gz NDVOBNRHULRCFK-UHFFFAOYSA-N 2 2 327.423 1.571 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000361189419 152330542 /nfs/dbraw/zinc/33/05/42/152330542.db2.gz IFAHAEWJCRIJFN-ZTFGCOKTSA-N 2 2 348.466 1.323 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000361189419 152330543 /nfs/dbraw/zinc/33/05/43/152330543.db2.gz IFAHAEWJCRIJFN-ZTFGCOKTSA-N 2 2 348.466 1.323 20 0 EDADLP COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000361364325 152373105 /nfs/dbraw/zinc/37/31/05/152373105.db2.gz KVIBXVGZWJSKAU-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000361364325 152373109 /nfs/dbraw/zinc/37/31/09/152373109.db2.gz KVIBXVGZWJSKAU-OAHLLOKOSA-N 2 2 347.463 1.058 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000363561390 153001245 /nfs/dbraw/zinc/00/12/45/153001245.db2.gz YONLJCSFDIAACB-HYVNUMGLSA-N 2 2 342.443 1.751 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000363561390 153001248 /nfs/dbraw/zinc/00/12/48/153001248.db2.gz YONLJCSFDIAACB-HYVNUMGLSA-N 2 2 342.443 1.751 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000363561390 153001249 /nfs/dbraw/zinc/00/12/49/153001249.db2.gz YONLJCSFDIAACB-HYVNUMGLSA-N 2 2 342.443 1.751 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000363561390 153001251 /nfs/dbraw/zinc/00/12/51/153001251.db2.gz YONLJCSFDIAACB-HYVNUMGLSA-N 2 2 342.443 1.751 20 0 EDADLP CCc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc(-c2ccncc2)[nH+]1 ZINC000363622710 153015780 /nfs/dbraw/zinc/01/57/80/153015780.db2.gz APVPHMVGCIXCBC-IRXDYDNUSA-N 2 2 339.443 1.798 20 0 EDADLP CCc1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc(-c2ccncc2)[nH+]1 ZINC000363622710 153015782 /nfs/dbraw/zinc/01/57/82/153015782.db2.gz APVPHMVGCIXCBC-IRXDYDNUSA-N 2 2 339.443 1.798 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3csc4nccn34)C2)CC1 ZINC000363761300 153048669 /nfs/dbraw/zinc/04/86/69/153048669.db2.gz BMTZNPUXASGWFD-CYBMUJFWSA-N 2 2 347.488 1.223 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3csc4nccn34)C2)CC1 ZINC000363761300 153048671 /nfs/dbraw/zinc/04/86/71/153048671.db2.gz BMTZNPUXASGWFD-CYBMUJFWSA-N 2 2 347.488 1.223 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000363896711 153090094 /nfs/dbraw/zinc/09/00/94/153090094.db2.gz NJOZTWNQAWSZDQ-UHFFFAOYSA-N 2 2 342.447 1.899 20 0 EDADLP Cc1cncc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000364146115 153156232 /nfs/dbraw/zinc/15/62/32/153156232.db2.gz FSTJDOUZOBDUJV-AEFFLSMTSA-N 2 2 346.475 1.364 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1cc[nH]n1 ZINC000364201209 153171575 /nfs/dbraw/zinc/17/15/75/153171575.db2.gz AFNQZIJNVVODDZ-UHFFFAOYSA-N 2 2 347.507 1.607 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1ccn[nH]1 ZINC000364201209 153171577 /nfs/dbraw/zinc/17/15/77/153171577.db2.gz AFNQZIJNVVODDZ-UHFFFAOYSA-N 2 2 347.507 1.607 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCOc3ccccc3)C2)CC1 ZINC000364204506 153172807 /nfs/dbraw/zinc/17/28/07/153172807.db2.gz AFXRMVCAQZWFRT-INIZCTEOSA-N 2 2 331.460 1.740 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCOc3ccccc3)C2)CC1 ZINC000364204506 153172809 /nfs/dbraw/zinc/17/28/09/153172809.db2.gz AFXRMVCAQZWFRT-INIZCTEOSA-N 2 2 331.460 1.740 20 0 EDADLP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000364214557 153176870 /nfs/dbraw/zinc/17/68/70/153176870.db2.gz LPTXVJFQIZSUGF-AEFFLSMTSA-N 2 2 333.863 1.984 20 0 EDADLP C[C@H]([NH2+]Cc1nnc2n1CCOC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000364582079 153278571 /nfs/dbraw/zinc/27/85/71/153278571.db2.gz RXZIGHSYEZXCJK-DOTOQJQBSA-N 2 2 341.459 1.809 20 0 EDADLP C[C@H]([NH2+]Cc1nnc2n1CCOC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364582079 153278574 /nfs/dbraw/zinc/27/85/74/153278574.db2.gz RXZIGHSYEZXCJK-DOTOQJQBSA-N 2 2 341.459 1.809 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000364630745 153289944 /nfs/dbraw/zinc/28/99/44/153289944.db2.gz LNZWWDOECCNFOB-GJZGRUSLSA-N 2 2 348.491 1.553 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000364630745 153289947 /nfs/dbraw/zinc/28/99/47/153289947.db2.gz LNZWWDOECCNFOB-GJZGRUSLSA-N 2 2 348.491 1.553 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000364724011 153314447 /nfs/dbraw/zinc/31/44/47/153314447.db2.gz PKZHPNBRMYXBAD-UHFFFAOYSA-N 2 2 331.869 1.456 20 0 EDADLP COCCC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000349709192 292283711 /nfs/dbraw/zinc/28/37/11/292283711.db2.gz YCWWBNRLUAXTIQ-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP COCCC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000349709192 292283712 /nfs/dbraw/zinc/28/37/12/292283712.db2.gz YCWWBNRLUAXTIQ-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)N1CC[NH+](C2CCC2)CC1 ZINC000367088970 154005675 /nfs/dbraw/zinc/00/56/75/154005675.db2.gz GAIYWYKFXHDPPG-SJORKVTESA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)N1CC[NH+](C2CCC2)CC1 ZINC000367088970 154005676 /nfs/dbraw/zinc/00/56/76/154005676.db2.gz GAIYWYKFXHDPPG-SJORKVTESA-N 2 2 336.480 1.119 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367129445 154017022 /nfs/dbraw/zinc/01/70/22/154017022.db2.gz SAJNENAVOZMDQP-JKSUJKDBSA-N 2 2 335.452 1.168 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367129445 154017026 /nfs/dbraw/zinc/01/70/26/154017026.db2.gz SAJNENAVOZMDQP-JKSUJKDBSA-N 2 2 335.452 1.168 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(CNC(=O)NC2CC[NH+](C)CC2)c1 ZINC000367365955 154090676 /nfs/dbraw/zinc/09/06/76/154090676.db2.gz UOVIJMLEKARQGU-UHFFFAOYSA-N 2 2 327.432 1.981 20 0 EDADLP NC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C(F)(F)F ZINC000367468343 154137676 /nfs/dbraw/zinc/13/76/76/154137676.db2.gz FVVJAWKFNLDJAU-ZIAGYGMSSA-N 2 2 338.333 1.968 20 0 EDADLP NC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C(F)(F)F ZINC000367468343 154137677 /nfs/dbraw/zinc/13/76/77/154137677.db2.gz FVVJAWKFNLDJAU-ZIAGYGMSSA-N 2 2 338.333 1.968 20 0 EDADLP COc1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1OC ZINC000367472372 154138361 /nfs/dbraw/zinc/13/83/61/154138361.db2.gz JUKBTWSQQVMUQG-QGZVFWFLSA-N 2 2 333.476 1.916 20 0 EDADLP COc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1OC ZINC000367472372 154138367 /nfs/dbraw/zinc/13/83/67/154138367.db2.gz JUKBTWSQQVMUQG-QGZVFWFLSA-N 2 2 333.476 1.916 20 0 EDADLP C[C@H]1CN(C(=O)NCC2(C3CC3)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367535651 154163724 /nfs/dbraw/zinc/16/37/24/154163724.db2.gz KGEJSUMWQAICKZ-HNNXBMFYSA-N 2 2 334.508 1.987 20 0 EDADLP C[C@H]1CN(C(=O)NCC2(C3CC3)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367535651 154163729 /nfs/dbraw/zinc/16/37/29/154163729.db2.gz KGEJSUMWQAICKZ-HNNXBMFYSA-N 2 2 334.508 1.987 20 0 EDADLP CCn1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cn1 ZINC000367696375 154232973 /nfs/dbraw/zinc/23/29/73/154232973.db2.gz HDXNFUVAHLVAOB-HZTRTUMWSA-N 2 2 333.480 1.637 20 0 EDADLP CCn1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cn1 ZINC000367696375 154232977 /nfs/dbraw/zinc/23/29/77/154232977.db2.gz HDXNFUVAHLVAOB-HZTRTUMWSA-N 2 2 333.480 1.637 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1C ZINC000368018949 154370332 /nfs/dbraw/zinc/37/03/32/154370332.db2.gz KSSRHPNPBBYFBX-MRXNPFEDSA-N 2 2 334.464 1.024 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1C ZINC000368018949 154370336 /nfs/dbraw/zinc/37/03/36/154370336.db2.gz KSSRHPNPBBYFBX-MRXNPFEDSA-N 2 2 334.464 1.024 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368040923 154379790 /nfs/dbraw/zinc/37/97/90/154379790.db2.gz JKVOOOMJFURIGI-INIZCTEOSA-N 2 2 335.452 1.086 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368040923 154379793 /nfs/dbraw/zinc/37/97/93/154379793.db2.gz JKVOOOMJFURIGI-INIZCTEOSA-N 2 2 335.452 1.086 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC[NH+]1CCCOCC1 ZINC000368042753 154382400 /nfs/dbraw/zinc/38/24/00/154382400.db2.gz OGPKNZXHAYVYPQ-FGTMMUONSA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCC[NH+]1CCCOCC1 ZINC000368042753 154382402 /nfs/dbraw/zinc/38/24/02/154382402.db2.gz OGPKNZXHAYVYPQ-FGTMMUONSA-N 2 2 325.497 1.188 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000368045177 154383661 /nfs/dbraw/zinc/38/36/61/154383661.db2.gz NRKQRPHDCDNTMU-IRXDYDNUSA-N 2 2 347.463 1.229 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000368045177 154383664 /nfs/dbraw/zinc/38/36/64/154383664.db2.gz NRKQRPHDCDNTMU-IRXDYDNUSA-N 2 2 347.463 1.229 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCCC[C@H]3O)C2)CC1 ZINC000369612811 155111527 /nfs/dbraw/zinc/11/15/27/155111527.db2.gz FKEJTVOPHWZSOD-HLLBOEOZSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCCC[C@H]3O)C2)CC1 ZINC000369612811 155111531 /nfs/dbraw/zinc/11/15/31/155111531.db2.gz FKEJTVOPHWZSOD-HLLBOEOZSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCC[C@@H]3O)C2)CC1 ZINC000369612814 155111718 /nfs/dbraw/zinc/11/17/18/155111718.db2.gz FKEJTVOPHWZSOD-ZOBUZTSGSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCC[C@@H]3O)C2)CC1 ZINC000369612814 155111722 /nfs/dbraw/zinc/11/17/22/155111722.db2.gz FKEJTVOPHWZSOD-ZOBUZTSGSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCOc3ccc(F)cc3)CCO2)CC1 ZINC000371557705 156002571 /nfs/dbraw/zinc/00/25/71/156002571.db2.gz ZEGAFIGHTNLXSO-SFHVURJKSA-N 2 2 337.439 1.153 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCOc3ccc(F)cc3)CCO2)CC1 ZINC000371557705 156002574 /nfs/dbraw/zinc/00/25/74/156002574.db2.gz ZEGAFIGHTNLXSO-SFHVURJKSA-N 2 2 337.439 1.153 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CCCOCC(F)(F)F)CC2)C(=O)C1 ZINC000371642837 156044496 /nfs/dbraw/zinc/04/44/96/156044496.db2.gz RDJUUYPKFWULMW-UHFFFAOYSA-N 2 2 337.386 1.194 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CCCOCC(F)(F)F)CC2)C(=O)C1 ZINC000371642837 156044497 /nfs/dbraw/zinc/04/44/97/156044497.db2.gz RDJUUYPKFWULMW-UHFFFAOYSA-N 2 2 337.386 1.194 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)CC1 ZINC000371672783 156056301 /nfs/dbraw/zinc/05/63/01/156056301.db2.gz ZZLQKYGSMGQBLT-HNNXBMFYSA-N 2 2 332.448 1.360 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(O)c3)C2)CC1 ZINC000371672783 156056303 /nfs/dbraw/zinc/05/63/03/156056303.db2.gz ZZLQKYGSMGQBLT-HNNXBMFYSA-N 2 2 332.448 1.360 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)CCC2 ZINC000372252804 156288706 /nfs/dbraw/zinc/28/87/06/156288706.db2.gz XZXGVXODHLMQGN-OAHLLOKOSA-N 2 2 330.436 1.997 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H](c3ccco3)C2)CC1 ZINC000372264210 156294229 /nfs/dbraw/zinc/29/42/29/156294229.db2.gz IRFJGGYMGVYBDS-HNNXBMFYSA-N 2 2 334.464 1.805 20 0 EDADLP CCCn1c(C)nnc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000372337019 156341934 /nfs/dbraw/zinc/34/19/34/156341934.db2.gz AQDSMDZFDVTFMG-UHFFFAOYSA-N 2 2 348.539 1.987 20 0 EDADLP COc1ccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1O ZINC000372417441 156379362 /nfs/dbraw/zinc/37/93/62/156379362.db2.gz WJVBGJYHWRFCFO-DOTOQJQBSA-N 2 2 349.475 1.238 20 0 EDADLP COc1ccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1O ZINC000372417441 156379364 /nfs/dbraw/zinc/37/93/64/156379364.db2.gz WJVBGJYHWRFCFO-DOTOQJQBSA-N 2 2 349.475 1.238 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1O ZINC000372417441 156379365 /nfs/dbraw/zinc/37/93/65/156379365.db2.gz WJVBGJYHWRFCFO-DOTOQJQBSA-N 2 2 349.475 1.238 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1O ZINC000372417441 156379367 /nfs/dbraw/zinc/37/93/67/156379367.db2.gz WJVBGJYHWRFCFO-DOTOQJQBSA-N 2 2 349.475 1.238 20 0 EDADLP CCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]([NH3+])CCC(N)=O)c1 ZINC000373896141 157052654 /nfs/dbraw/zinc/05/26/54/157052654.db2.gz QLZYNPRGWCBPFO-AWEZNQCLSA-N 2 2 329.404 1.491 20 0 EDADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000374293121 157227775 /nfs/dbraw/zinc/22/77/75/157227775.db2.gz AZJJAPWZTUGHDK-QZTJIDSGSA-N 2 2 336.524 1.203 20 0 EDADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000374293121 157227779 /nfs/dbraw/zinc/22/77/79/157227779.db2.gz AZJJAPWZTUGHDK-QZTJIDSGSA-N 2 2 336.524 1.203 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374323386 157242686 /nfs/dbraw/zinc/24/26/86/157242686.db2.gz ICOVZMJYDXSNFZ-NVXWUHKLSA-N 2 2 341.459 1.432 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)CS(C)(=O)=O ZINC000376060083 157722704 /nfs/dbraw/zinc/72/27/04/157722704.db2.gz ZKOSDUBZTRZXOX-KLHDSHLOSA-N 2 2 332.510 1.146 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)CS(C)(=O)=O ZINC000376060083 157722706 /nfs/dbraw/zinc/72/27/06/157722706.db2.gz ZKOSDUBZTRZXOX-KLHDSHLOSA-N 2 2 332.510 1.146 20 0 EDADLP CC(C)c1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000575881022 306673682 /nfs/dbraw/zinc/67/36/82/306673682.db2.gz DXLXXSJFEUGZFJ-HNNXBMFYSA-N 2 2 348.495 1.752 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C2 ZINC000377878535 158018907 /nfs/dbraw/zinc/01/89/07/158018907.db2.gz JQPWBMZEOIYYJF-RDJZCZTQSA-N 2 2 334.464 1.227 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C2 ZINC000377878535 158018909 /nfs/dbraw/zinc/01/89/09/158018909.db2.gz JQPWBMZEOIYYJF-RDJZCZTQSA-N 2 2 334.464 1.227 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000377926802 158030608 /nfs/dbraw/zinc/03/06/08/158030608.db2.gz ULEKUSBNALGFNW-IRXDYDNUSA-N 2 2 347.507 1.668 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000377926802 158030609 /nfs/dbraw/zinc/03/06/09/158030609.db2.gz ULEKUSBNALGFNW-IRXDYDNUSA-N 2 2 347.507 1.668 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000377926802 158030610 /nfs/dbraw/zinc/03/06/10/158030610.db2.gz ULEKUSBNALGFNW-IRXDYDNUSA-N 2 2 347.507 1.668 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000377926802 158030613 /nfs/dbraw/zinc/03/06/13/158030613.db2.gz ULEKUSBNALGFNW-IRXDYDNUSA-N 2 2 347.507 1.668 20 0 EDADLP CCn1ccnc1C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000377926802 158030614 /nfs/dbraw/zinc/03/06/14/158030614.db2.gz ULEKUSBNALGFNW-IRXDYDNUSA-N 2 2 347.507 1.668 20 0 EDADLP CCn1ccnc1C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000377926802 158030617 /nfs/dbraw/zinc/03/06/17/158030617.db2.gz ULEKUSBNALGFNW-IRXDYDNUSA-N 2 2 347.507 1.668 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)[C@H]1c1ccccc1 ZINC000378066722 158069670 /nfs/dbraw/zinc/06/96/70/158069670.db2.gz AJUKCEJMYVHILX-WNRNVDISSA-N 2 2 344.459 1.156 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)[C@H]1c1ccccc1 ZINC000378066722 158069671 /nfs/dbraw/zinc/06/96/71/158069671.db2.gz AJUKCEJMYVHILX-WNRNVDISSA-N 2 2 344.459 1.156 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)[C@H]1c1ccccc1 ZINC000378066722 158069672 /nfs/dbraw/zinc/06/96/72/158069672.db2.gz AJUKCEJMYVHILX-WNRNVDISSA-N 2 2 344.459 1.156 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)CCC2 ZINC000378242041 158118998 /nfs/dbraw/zinc/11/89/98/158118998.db2.gz ILVBMPCNLKHLCZ-HNNXBMFYSA-N 2 2 349.479 1.479 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)CCC2 ZINC000378242041 158119000 /nfs/dbraw/zinc/11/90/00/158119000.db2.gz ILVBMPCNLKHLCZ-HNNXBMFYSA-N 2 2 349.479 1.479 20 0 EDADLP CO[C@@H]1C[C@H](CO)[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000352363489 162141580 /nfs/dbraw/zinc/14/15/80/162141580.db2.gz RKVOYVPXSWURDH-RTBURBONSA-N 2 2 333.476 1.280 20 0 EDADLP CO[C@@H]1C[C@H](CO)[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000352363489 162141582 /nfs/dbraw/zinc/14/15/82/162141582.db2.gz RKVOYVPXSWURDH-RTBURBONSA-N 2 2 333.476 1.280 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352434714 162180330 /nfs/dbraw/zinc/18/03/30/162180330.db2.gz ZTJVVTWUIJFUMP-OTWHNJEPSA-N 2 2 343.471 1.298 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352434714 162180334 /nfs/dbraw/zinc/18/03/34/162180334.db2.gz ZTJVVTWUIJFUMP-OTWHNJEPSA-N 2 2 343.471 1.298 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352434714 162180337 /nfs/dbraw/zinc/18/03/37/162180337.db2.gz ZTJVVTWUIJFUMP-OTWHNJEPSA-N 2 2 343.471 1.298 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352434714 162180343 /nfs/dbraw/zinc/18/03/43/162180343.db2.gz ZTJVVTWUIJFUMP-OTWHNJEPSA-N 2 2 343.471 1.298 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352488337 162208555 /nfs/dbraw/zinc/20/85/55/162208555.db2.gz OXUMGHAYXQSQKG-QGZVFWFLSA-N 3 2 345.491 1.324 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352488337 162208557 /nfs/dbraw/zinc/20/85/57/162208557.db2.gz OXUMGHAYXQSQKG-QGZVFWFLSA-N 3 2 345.491 1.324 20 0 EDADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352519178 162225903 /nfs/dbraw/zinc/22/59/03/162225903.db2.gz MMGNISPPFXGFAP-MJGOQNOKSA-N 2 2 344.503 1.321 20 0 EDADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000352520455 162226855 /nfs/dbraw/zinc/22/68/55/162226855.db2.gz YNJVXZBVKYMJHV-HOCLYGCPSA-N 2 2 334.439 1.441 20 0 EDADLP CC[N@H+](CCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)C(C)C ZINC000353826233 162263161 /nfs/dbraw/zinc/26/31/61/162263161.db2.gz FBMTVTKYAANIFO-HNNXBMFYSA-N 2 2 336.484 1.149 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1)C(C)C ZINC000353826233 162263165 /nfs/dbraw/zinc/26/31/65/162263165.db2.gz FBMTVTKYAANIFO-HNNXBMFYSA-N 2 2 336.484 1.149 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1OC ZINC000052858129 287223538 /nfs/dbraw/zinc/22/35/38/287223538.db2.gz TVBUZOKEIBLPEJ-UHFFFAOYSA-N 2 2 347.459 1.444 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000081569819 287314245 /nfs/dbraw/zinc/31/42/45/287314245.db2.gz KUKIIEXBPCIRDR-LSDHHAIUSA-N 2 2 326.485 1.520 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000081569819 287314246 /nfs/dbraw/zinc/31/42/46/287314246.db2.gz KUKIIEXBPCIRDR-LSDHHAIUSA-N 2 2 326.485 1.520 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000081569819 287314247 /nfs/dbraw/zinc/31/42/47/287314247.db2.gz KUKIIEXBPCIRDR-LSDHHAIUSA-N 2 2 326.485 1.520 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000081569819 287314248 /nfs/dbraw/zinc/31/42/48/287314248.db2.gz KUKIIEXBPCIRDR-LSDHHAIUSA-N 2 2 326.485 1.520 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158475623 225023625 /nfs/dbraw/zinc/02/36/25/225023625.db2.gz QRIDMOGUOMUESG-SOLBZPMBSA-N 3 2 331.508 1.652 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158475623 225023628 /nfs/dbraw/zinc/02/36/28/225023628.db2.gz QRIDMOGUOMUESG-SOLBZPMBSA-N 3 2 331.508 1.652 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000163951449 226033471 /nfs/dbraw/zinc/03/34/71/226033471.db2.gz ATMCDFDJXDPFBY-OAHLLOKOSA-N 2 2 327.432 1.121 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000418380259 304488326 /nfs/dbraw/zinc/48/83/26/304488326.db2.gz WPXVXCKWDFTCLJ-HNNXBMFYSA-N 2 2 336.867 1.919 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418388507 304489692 /nfs/dbraw/zinc/48/96/92/304489692.db2.gz QFNSGWZVDDCSOX-KBPBESRZSA-N 2 2 335.452 1.294 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000123856223 222342927 /nfs/dbraw/zinc/34/29/27/222342927.db2.gz RUHPNZRVCHZTKF-HXUWFJFHSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000123856223 222342931 /nfs/dbraw/zinc/34/29/31/222342931.db2.gz RUHPNZRVCHZTKF-HXUWFJFHSA-N 2 2 345.487 1.486 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124030911 222367370 /nfs/dbraw/zinc/36/73/70/222367370.db2.gz YBJVFTSUASSUIF-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000124030911 222367372 /nfs/dbraw/zinc/36/73/72/222367372.db2.gz YBJVFTSUASSUIF-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000124030911 222367373 /nfs/dbraw/zinc/36/73/73/222367373.db2.gz YBJVFTSUASSUIF-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000124030911 222367375 /nfs/dbraw/zinc/36/73/75/222367375.db2.gz YBJVFTSUASSUIF-YJBOKZPZSA-N 2 2 333.476 1.864 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152328457 287609873 /nfs/dbraw/zinc/60/98/73/287609873.db2.gz BOWVNMUZMSUWDU-HNNXBMFYSA-N 2 2 327.432 1.431 20 0 EDADLP COc1cc(Cl)ccc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051491 452393981 /nfs/dbraw/zinc/39/39/81/452393981.db2.gz OESIFVBKBXISRX-UHFFFAOYSA-N 2 2 325.840 1.554 20 0 EDADLP COc1cc(Cl)ccc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051491 452393992 /nfs/dbraw/zinc/39/39/92/452393992.db2.gz OESIFVBKBXISRX-UHFFFAOYSA-N 2 2 325.840 1.554 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917549 272970673 /nfs/dbraw/zinc/97/06/73/272970673.db2.gz GGTSDYVDUYSUPY-RHSMWYFYSA-N 2 2 328.416 1.506 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000273596389 268061343 /nfs/dbraw/zinc/06/13/43/268061343.db2.gz NSXLKCBHIBYOLT-SFHVURJKSA-N 2 2 344.459 1.409 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000274462304 268143146 /nfs/dbraw/zinc/14/31/46/268143146.db2.gz KCJSMPMDECDHDL-ZWKOTPCHSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000274462304 268143148 /nfs/dbraw/zinc/14/31/48/268143148.db2.gz KCJSMPMDECDHDL-ZWKOTPCHSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000274462304 268143150 /nfs/dbraw/zinc/14/31/50/268143150.db2.gz KCJSMPMDECDHDL-ZWKOTPCHSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000274462304 268143152 /nfs/dbraw/zinc/14/31/52/268143152.db2.gz KCJSMPMDECDHDL-ZWKOTPCHSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000274582823 268163860 /nfs/dbraw/zinc/16/38/60/268163860.db2.gz IBQVUZUWXCTUBA-OAHLLOKOSA-N 2 2 328.420 1.194 20 0 EDADLP CN1CCN(c2cc(NC3CC[NH+](C(C)(C)C)CC3)nc[nH+]2)CC1=O ZINC000274807828 268211263 /nfs/dbraw/zinc/21/12/63/268211263.db2.gz MHBPSPQLEGEPIX-UHFFFAOYSA-N 2 2 346.479 1.430 20 0 EDADLP CN1CCN(c2cc(NC3CC[NH+](C(C)(C)C)CC3)[nH+]cn2)CC1=O ZINC000274807828 268211266 /nfs/dbraw/zinc/21/12/66/268211266.db2.gz MHBPSPQLEGEPIX-UHFFFAOYSA-N 2 2 346.479 1.430 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CCC([N@H+](C)CCO)CC3)[nH+]c2c1 ZINC000274930215 268242211 /nfs/dbraw/zinc/24/22/11/268242211.db2.gz LDWGANKOYOAXGB-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CCC([N@@H+](C)CCO)CC3)[nH+]c2c1 ZINC000274930215 268242212 /nfs/dbraw/zinc/24/22/12/268242212.db2.gz LDWGANKOYOAXGB-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000275564160 268361159 /nfs/dbraw/zinc/36/11/59/268361159.db2.gz FYGXGLORCNXTNG-KBPBESRZSA-N 2 2 348.495 1.258 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000275564160 268361160 /nfs/dbraw/zinc/36/11/60/268361160.db2.gz FYGXGLORCNXTNG-KBPBESRZSA-N 2 2 348.495 1.258 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000275564163 268361203 /nfs/dbraw/zinc/36/12/03/268361203.db2.gz FYGXGLORCNXTNG-KGLIPLIRSA-N 2 2 348.495 1.258 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000275564163 268361204 /nfs/dbraw/zinc/36/12/04/268361204.db2.gz FYGXGLORCNXTNG-KGLIPLIRSA-N 2 2 348.495 1.258 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000274350467 273087165 /nfs/dbraw/zinc/08/71/65/273087165.db2.gz KKCVJXURINHIOQ-HKUYNNGSSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000274350467 273087167 /nfs/dbraw/zinc/08/71/67/273087167.db2.gz KKCVJXURINHIOQ-HKUYNNGSSA-N 3 2 331.504 1.943 20 0 EDADLP Cn1nncc1C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275655685 273116685 /nfs/dbraw/zinc/11/66/85/273116685.db2.gz KWKMFUKVJSUABE-AWEZNQCLSA-N 2 2 332.477 1.758 20 0 EDADLP Cn1nncc1C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275655685 273116687 /nfs/dbraw/zinc/11/66/87/273116687.db2.gz KWKMFUKVJSUABE-AWEZNQCLSA-N 2 2 332.477 1.758 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000279066234 273277876 /nfs/dbraw/zinc/27/78/76/273277876.db2.gz DPXCMYPVXYKMNX-SFHVURJKSA-N 2 2 347.503 1.729 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000279066234 273277877 /nfs/dbraw/zinc/27/78/77/273277877.db2.gz DPXCMYPVXYKMNX-SFHVURJKSA-N 2 2 347.503 1.729 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000279124710 273281767 /nfs/dbraw/zinc/28/17/67/273281767.db2.gz DFKIXCNQMSQZRB-KRWDZBQOSA-N 2 2 342.443 1.615 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000279124710 273281768 /nfs/dbraw/zinc/28/17/68/273281768.db2.gz DFKIXCNQMSQZRB-KRWDZBQOSA-N 2 2 342.443 1.615 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cc1O ZINC000279858467 273334127 /nfs/dbraw/zinc/33/41/27/273334127.db2.gz IUMDOXLNEFCKOT-GJZGRUSLSA-N 2 2 348.422 1.837 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H]2CC(=O)N(C)C2=O)CC1 ZINC000281265182 273454947 /nfs/dbraw/zinc/45/49/47/273454947.db2.gz WQHVXHHEAZLLRB-INIZCTEOSA-N 2 2 326.400 1.739 20 0 EDADLP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000156511742 287672509 /nfs/dbraw/zinc/67/25/09/287672509.db2.gz BKOHMSWMLLDYRC-CVEARBPZSA-N 2 2 341.496 1.944 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccn(C(F)F)n2)nc[nH+]1 ZINC000346668232 273975405 /nfs/dbraw/zinc/97/54/05/273975405.db2.gz JKCCHPOSAZVFHO-LBPRGKRZSA-N 2 2 337.378 1.869 20 0 EDADLP COCc1ncsc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000284279803 274144369 /nfs/dbraw/zinc/14/43/69/274144369.db2.gz IAWGUDJVGZZIOJ-UHFFFAOYSA-N 2 2 340.493 1.388 20 0 EDADLP COCc1ncsc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000284279803 274144370 /nfs/dbraw/zinc/14/43/70/274144370.db2.gz IAWGUDJVGZZIOJ-UHFFFAOYSA-N 2 2 340.493 1.388 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@@H]21 ZINC000284576264 274250133 /nfs/dbraw/zinc/25/01/33/274250133.db2.gz RKEVRTGZDHRUEQ-ROUUACIJSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@@H]21 ZINC000284576264 274250135 /nfs/dbraw/zinc/25/01/35/274250135.db2.gz RKEVRTGZDHRUEQ-ROUUACIJSA-N 2 2 340.427 1.477 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968295 452713776 /nfs/dbraw/zinc/71/37/76/452713776.db2.gz ZZGIVFRYQHMIHH-ZFWWWQNUSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968295 452713786 /nfs/dbraw/zinc/71/37/86/452713786.db2.gz ZZGIVFRYQHMIHH-ZFWWWQNUSA-N 2 2 343.493 1.028 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[N@H+](CCO)CC1 ZINC000131567813 276302348 /nfs/dbraw/zinc/30/23/48/276302348.db2.gz FEDRDCLTDCQXMT-UHFFFAOYSA-N 2 2 343.427 1.916 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[N@@H+](CCO)CC1 ZINC000131567813 276302350 /nfs/dbraw/zinc/30/23/50/276302350.db2.gz FEDRDCLTDCQXMT-UHFFFAOYSA-N 2 2 343.427 1.916 20 0 EDADLP CC(C)(O)[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000305264014 277318618 /nfs/dbraw/zinc/31/86/18/277318618.db2.gz UGUJPWSQVGXIJI-INIZCTEOSA-N 2 2 346.475 1.356 20 0 EDADLP CC(C)(O)[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000305264014 277318619 /nfs/dbraw/zinc/31/86/19/277318619.db2.gz UGUJPWSQVGXIJI-INIZCTEOSA-N 2 2 346.475 1.356 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1nc2ccccc2n1C ZINC000359368746 278257727 /nfs/dbraw/zinc/25/77/27/278257727.db2.gz FHCPSGIZFXRKCQ-LSDHHAIUSA-N 2 2 343.475 1.811 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1nc2ccccc2n1C ZINC000359368746 278257730 /nfs/dbraw/zinc/25/77/30/278257730.db2.gz FHCPSGIZFXRKCQ-LSDHHAIUSA-N 2 2 343.475 1.811 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000348851299 279132399 /nfs/dbraw/zinc/13/23/99/279132399.db2.gz VJMNIVOPPCRLNU-INIZCTEOSA-N 2 2 333.476 1.979 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000286862603 288107366 /nfs/dbraw/zinc/10/73/66/288107366.db2.gz YUECYPMPGXETGL-BRWVUGGUSA-N 2 2 343.475 1.929 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000346242689 279209123 /nfs/dbraw/zinc/20/91/23/279209123.db2.gz SYAMGEDLEHQIQF-UHFFFAOYSA-N 3 2 334.508 1.232 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000346242689 279209124 /nfs/dbraw/zinc/20/91/24/279209124.db2.gz SYAMGEDLEHQIQF-UHFFFAOYSA-N 3 2 334.508 1.232 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347511942 279352933 /nfs/dbraw/zinc/35/29/33/279352933.db2.gz FWWCYNXMVHMISU-KDOFPFPSSA-N 2 2 347.463 1.071 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347511942 279352936 /nfs/dbraw/zinc/35/29/36/279352936.db2.gz FWWCYNXMVHMISU-KDOFPFPSSA-N 2 2 347.463 1.071 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3cc(C)no3)C2)CC1 ZINC000107371534 279372894 /nfs/dbraw/zinc/37/28/94/279372894.db2.gz XZSLDGVBHBDWIR-GJZGRUSLSA-N 2 2 335.452 1.022 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3cc(C)no3)C2)CC1 ZINC000107371534 279372896 /nfs/dbraw/zinc/37/28/96/279372896.db2.gz XZSLDGVBHBDWIR-GJZGRUSLSA-N 2 2 335.452 1.022 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000659983426 452890513 /nfs/dbraw/zinc/89/05/13/452890513.db2.gz MAIYFRIMVGFKAI-ZFWWWQNUSA-N 2 2 325.478 1.509 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000659983426 452890518 /nfs/dbraw/zinc/89/05/18/452890518.db2.gz MAIYFRIMVGFKAI-ZFWWWQNUSA-N 2 2 325.478 1.509 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000659983426 452890525 /nfs/dbraw/zinc/89/05/25/452890525.db2.gz MAIYFRIMVGFKAI-ZFWWWQNUSA-N 2 2 325.478 1.509 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000659983426 452890530 /nfs/dbraw/zinc/89/05/30/452890530.db2.gz MAIYFRIMVGFKAI-ZFWWWQNUSA-N 2 2 325.478 1.509 20 0 EDADLP Cc1nn(C)c2sc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cc12 ZINC000287849314 288337859 /nfs/dbraw/zinc/33/78/59/288337859.db2.gz WRVNEXVSQWDMOP-OCCSQVGLSA-N 2 2 349.504 1.934 20 0 EDADLP Cc1nn(C)c2sc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cc12 ZINC000287849314 288337861 /nfs/dbraw/zinc/33/78/61/288337861.db2.gz WRVNEXVSQWDMOP-OCCSQVGLSA-N 2 2 349.504 1.934 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000290314847 288877912 /nfs/dbraw/zinc/87/79/12/288877912.db2.gz COAFSVBUNWTMPE-AWEZNQCLSA-N 2 2 343.431 1.957 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CCn4c[nH+]cc4C3)cc2)CC1 ZINC000291120545 289003964 /nfs/dbraw/zinc/00/39/64/289003964.db2.gz NITOCKXPJMQHMQ-UHFFFAOYSA-N 2 2 339.443 1.287 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCNC(=O)C2)c1 ZINC000291186579 289014554 /nfs/dbraw/zinc/01/45/54/289014554.db2.gz LKIRSJABLIRWRV-RKVPGOIHSA-N 2 2 330.476 1.759 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cccc(C[NH+]2CCNC(=O)C2)c1 ZINC000291186579 289014555 /nfs/dbraw/zinc/01/45/55/289014555.db2.gz LKIRSJABLIRWRV-RKVPGOIHSA-N 2 2 330.476 1.759 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1cccc(C[N@@H+]2CCNC(=O)C2)c1 ZINC000291186579 289014556 /nfs/dbraw/zinc/01/45/56/289014556.db2.gz LKIRSJABLIRWRV-RKVPGOIHSA-N 2 2 330.476 1.759 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1cccc(C[N@H+]2CCNC(=O)C2)c1 ZINC000291186579 289014558 /nfs/dbraw/zinc/01/45/58/289014558.db2.gz LKIRSJABLIRWRV-RKVPGOIHSA-N 2 2 330.476 1.759 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000155348259 289020860 /nfs/dbraw/zinc/02/08/60/289020860.db2.gz ADNZMJCQTQBQKW-CABCVRRESA-N 2 2 325.497 1.865 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000155348259 289020862 /nfs/dbraw/zinc/02/08/62/289020862.db2.gz ADNZMJCQTQBQKW-CABCVRRESA-N 2 2 325.497 1.865 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000292367445 289326728 /nfs/dbraw/zinc/32/67/28/289326728.db2.gz FVYFWHCDZINFBZ-KBPBESRZSA-N 2 2 336.436 1.389 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000182685533 290239474 /nfs/dbraw/zinc/23/94/74/290239474.db2.gz ZDQKGVIOVSCYTR-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000182685533 290239475 /nfs/dbraw/zinc/23/94/75/290239475.db2.gz ZDQKGVIOVSCYTR-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000182685533 290239477 /nfs/dbraw/zinc/23/94/77/290239477.db2.gz ZDQKGVIOVSCYTR-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000182685533 290239479 /nfs/dbraw/zinc/23/94/79/290239479.db2.gz ZDQKGVIOVSCYTR-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1cnc([C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000664335410 453011903 /nfs/dbraw/zinc/01/19/03/453011903.db2.gz UTMLNYUFWASDRA-CYBMUJFWSA-N 2 2 327.498 1.695 20 0 EDADLP Cc1cnc([C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664335410 453011912 /nfs/dbraw/zinc/01/19/12/453011912.db2.gz UTMLNYUFWASDRA-CYBMUJFWSA-N 2 2 327.498 1.695 20 0 EDADLP C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000192509244 297145128 /nfs/dbraw/zinc/14/51/28/297145128.db2.gz VDHPXPVDKMQVDA-SJLPKXTDSA-N 2 2 334.460 1.912 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000418514389 304506876 /nfs/dbraw/zinc/50/68/76/304506876.db2.gz OAZSGNOGKQRGRQ-CYBMUJFWSA-N 2 2 340.855 1.393 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C(=O)C4CC4)CC3)CC2)CC1 ZINC000422011840 447307976 /nfs/dbraw/zinc/30/79/76/447307976.db2.gz CXRUPGXVUNHYJB-UHFFFAOYSA-N 2 2 347.503 1.764 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C(=O)C4CC4)CC3)CC2)CC1 ZINC000422011840 447307982 /nfs/dbraw/zinc/30/79/82/447307982.db2.gz CXRUPGXVUNHYJB-UHFFFAOYSA-N 2 2 347.503 1.764 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ccncc3)CC2)CC1 ZINC000422014837 447308647 /nfs/dbraw/zinc/30/86/47/447308647.db2.gz ZXFPRIIZOFGTLP-UHFFFAOYSA-N 2 2 330.476 1.643 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ccncc3)CC2)CC1 ZINC000422014837 447308652 /nfs/dbraw/zinc/30/86/52/447308652.db2.gz ZXFPRIIZOFGTLP-UHFFFAOYSA-N 2 2 330.476 1.643 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3CCCCO3)CC2)CC1 ZINC000422017088 447310073 /nfs/dbraw/zinc/31/00/73/447310073.db2.gz IVNMPBZDLLVEPC-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3CCCCO3)CC2)CC1 ZINC000422017088 447310079 /nfs/dbraw/zinc/31/00/79/447310079.db2.gz IVNMPBZDLLVEPC-SFHVURJKSA-N 2 2 337.508 1.964 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420379304 304753881 /nfs/dbraw/zinc/75/38/81/304753881.db2.gz XRASHZHDBQBHJF-LMOYCYGVSA-N 2 2 332.448 1.349 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCOCC2)c1 ZINC000416995171 302020425 /nfs/dbraw/zinc/02/04/25/302020425.db2.gz LBYPNFGYPULFBR-NVXWUHKLSA-N 2 2 334.464 1.357 20 0 EDADLP CN(C)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(C(F)(F)F)c1 ZINC000653111152 453297639 /nfs/dbraw/zinc/29/76/39/453297639.db2.gz GJDCDIXUWCXXGP-GFCCVEGCSA-N 2 2 332.370 1.989 20 0 EDADLP O[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000294042894 303055171 /nfs/dbraw/zinc/05/51/71/303055171.db2.gz IUWODTSIULHBQZ-PKOBYXMFSA-N 2 2 336.451 1.773 20 0 EDADLP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000294042894 303055172 /nfs/dbraw/zinc/05/51/72/303055172.db2.gz IUWODTSIULHBQZ-PKOBYXMFSA-N 2 2 336.451 1.773 20 0 EDADLP C[C@H]([N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)O ZINC000295123315 303175856 /nfs/dbraw/zinc/17/58/56/303175856.db2.gz JBBJABXNEHFWEN-HNNXBMFYSA-N 2 2 334.464 1.212 20 0 EDADLP C[C@H]([N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)O ZINC000295123315 303175857 /nfs/dbraw/zinc/17/58/57/303175857.db2.gz JBBJABXNEHFWEN-HNNXBMFYSA-N 2 2 334.464 1.212 20 0 EDADLP COCc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)no1 ZINC000297831306 303452502 /nfs/dbraw/zinc/45/25/02/303452502.db2.gz ZTQQETZEWGJREV-HNNXBMFYSA-N 2 2 331.420 1.968 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000456215432 447332725 /nfs/dbraw/zinc/33/27/25/447332725.db2.gz UFNHZZOBMUDZLF-SCTDSRPQSA-N 2 2 347.503 1.983 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1ccccc1 ZINC000456215432 447332730 /nfs/dbraw/zinc/33/27/30/447332730.db2.gz UFNHZZOBMUDZLF-SCTDSRPQSA-N 2 2 347.503 1.983 20 0 EDADLP c1nc(N2CCCC[C@@H]([NH+]3CCCC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000302871770 303738961 /nfs/dbraw/zinc/73/89/61/303738961.db2.gz BUXVZFOTRQFALG-MRXNPFEDSA-N 2 2 331.464 1.768 20 0 EDADLP C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422941840 304880803 /nfs/dbraw/zinc/88/08/03/304880803.db2.gz VQTVHYHCGNGXOZ-ZBFHGGJFSA-N 2 2 325.478 1.226 20 0 EDADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000423295424 304891298 /nfs/dbraw/zinc/89/12/98/304891298.db2.gz ADZPPYONXUXHCC-AWEZNQCLSA-N 2 2 325.478 1.877 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428034327 305004681 /nfs/dbraw/zinc/00/46/81/305004681.db2.gz NZGNKAGRFNZGCN-IIYDPXPESA-N 2 2 337.414 1.696 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428034327 305004682 /nfs/dbraw/zinc/00/46/82/305004682.db2.gz NZGNKAGRFNZGCN-IIYDPXPESA-N 2 2 337.414 1.696 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2=O)c1 ZINC000428044456 305005334 /nfs/dbraw/zinc/00/53/34/305005334.db2.gz LCDJZKQEQYSHCV-BVGQSLNGSA-N 2 2 345.443 1.493 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2=O)c1 ZINC000428044456 305005335 /nfs/dbraw/zinc/00/53/35/305005335.db2.gz LCDJZKQEQYSHCV-BVGQSLNGSA-N 2 2 345.443 1.493 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428050568 305005659 /nfs/dbraw/zinc/00/56/59/305005659.db2.gz SULZYGRZWXHQSV-ZIFCJYIRSA-N 2 2 342.487 1.408 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428050568 305005660 /nfs/dbraw/zinc/00/56/60/305005660.db2.gz SULZYGRZWXHQSV-ZIFCJYIRSA-N 2 2 342.487 1.408 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428050817 305005793 /nfs/dbraw/zinc/00/57/93/305005793.db2.gz UBGHJUSQXJPTCX-AEFFLSMTSA-N 2 2 331.460 1.775 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428050817 305005794 /nfs/dbraw/zinc/00/57/94/305005794.db2.gz UBGHJUSQXJPTCX-AEFFLSMTSA-N 2 2 331.460 1.775 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428048497 305005802 /nfs/dbraw/zinc/00/58/02/305005802.db2.gz JDQBKADOKNVOOU-HOCLYGCPSA-N 2 2 335.423 1.347 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428048497 305005803 /nfs/dbraw/zinc/00/58/03/305005803.db2.gz JDQBKADOKNVOOU-HOCLYGCPSA-N 2 2 335.423 1.347 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428058510 305006028 /nfs/dbraw/zinc/00/60/28/305006028.db2.gz ZGYUKQQBZBYJOS-IEBWSBKVSA-N 2 2 345.487 1.912 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428058510 305006029 /nfs/dbraw/zinc/00/60/29/305006029.db2.gz ZGYUKQQBZBYJOS-IEBWSBKVSA-N 2 2 345.487 1.912 20 0 EDADLP C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000429236122 305026120 /nfs/dbraw/zinc/02/61/20/305026120.db2.gz HMMLERBDAWHEFC-HNNXBMFYSA-N 2 2 334.439 1.110 20 0 EDADLP C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000429236122 305026121 /nfs/dbraw/zinc/02/61/21/305026121.db2.gz HMMLERBDAWHEFC-HNNXBMFYSA-N 2 2 334.439 1.110 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430580614 305057046 /nfs/dbraw/zinc/05/70/46/305057046.db2.gz SEDDQLQEHIRHLI-ZBFHGGJFSA-N 2 2 346.475 1.363 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430580614 305057047 /nfs/dbraw/zinc/05/70/47/305057047.db2.gz SEDDQLQEHIRHLI-ZBFHGGJFSA-N 2 2 346.475 1.363 20 0 EDADLP C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)CC(C)(C)C[NH3+] ZINC000430585131 305057162 /nfs/dbraw/zinc/05/71/62/305057162.db2.gz RBGUMAOGTWJYLE-UHFFFAOYSA-N 2 2 343.475 1.464 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)CC(C)(C)C[NH3+] ZINC000430585131 305057163 /nfs/dbraw/zinc/05/71/63/305057163.db2.gz RBGUMAOGTWJYLE-UHFFFAOYSA-N 2 2 343.475 1.464 20 0 EDADLP COc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)cc(OC)c1OC ZINC000430586651 305057430 /nfs/dbraw/zinc/05/74/30/305057430.db2.gz WSHKAVQXDXILTI-QGZVFWFLSA-N 2 2 339.436 1.614 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000430596764 305057813 /nfs/dbraw/zinc/05/78/13/305057813.db2.gz PFFMOVDZFIVESG-MRXNPFEDSA-N 2 2 325.428 1.626 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000430596764 305057814 /nfs/dbraw/zinc/05/78/14/305057814.db2.gz PFFMOVDZFIVESG-MRXNPFEDSA-N 2 2 325.428 1.626 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc1Cl ZINC000430622877 305059768 /nfs/dbraw/zinc/05/97/68/305059768.db2.gz GAGKWJBGACZMHN-UHFFFAOYSA-N 2 2 341.839 1.980 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc1Cl ZINC000430622877 305059769 /nfs/dbraw/zinc/05/97/69/305059769.db2.gz GAGKWJBGACZMHN-UHFFFAOYSA-N 2 2 341.839 1.980 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430634721 305060595 /nfs/dbraw/zinc/06/05/95/305060595.db2.gz FCKSQJMJORUTLT-OAHLLOKOSA-N 2 2 346.475 1.778 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430634721 305060596 /nfs/dbraw/zinc/06/05/96/305060596.db2.gz FCKSQJMJORUTLT-OAHLLOKOSA-N 2 2 346.475 1.778 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430934355 305068958 /nfs/dbraw/zinc/06/89/58/305068958.db2.gz LXTXLALIMRGNBL-KGLIPLIRSA-N 2 2 335.448 1.552 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430934355 305068959 /nfs/dbraw/zinc/06/89/59/305068959.db2.gz LXTXLALIMRGNBL-KGLIPLIRSA-N 2 2 335.448 1.552 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430942412 305069596 /nfs/dbraw/zinc/06/95/96/305069596.db2.gz LRQYCTLIFNXNLV-WFASDCNBSA-N 2 2 325.840 1.504 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430942412 305069597 /nfs/dbraw/zinc/06/95/97/305069597.db2.gz LRQYCTLIFNXNLV-WFASDCNBSA-N 2 2 325.840 1.504 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430941194 305069673 /nfs/dbraw/zinc/06/96/73/305069673.db2.gz UVRLOIZCODWVAO-CPUCHLNUSA-N 2 2 344.459 1.810 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430941194 305069674 /nfs/dbraw/zinc/06/96/74/305069674.db2.gz UVRLOIZCODWVAO-CPUCHLNUSA-N 2 2 344.459 1.810 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000430949113 305070192 /nfs/dbraw/zinc/07/01/92/305070192.db2.gz MMLVIMXNYNVAEC-HRCADAONSA-N 2 2 347.459 1.215 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000430949113 305070193 /nfs/dbraw/zinc/07/01/93/305070193.db2.gz MMLVIMXNYNVAEC-HRCADAONSA-N 2 2 347.459 1.215 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)C1 ZINC000430962447 305071336 /nfs/dbraw/zinc/07/13/36/305071336.db2.gz QQRKUAKOWKCPKZ-HOTGVXAUSA-N 2 2 346.475 1.288 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)C1 ZINC000430962447 305071337 /nfs/dbraw/zinc/07/13/37/305071337.db2.gz QQRKUAKOWKCPKZ-HOTGVXAUSA-N 2 2 346.475 1.288 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000433849194 305113809 /nfs/dbraw/zinc/11/38/09/305113809.db2.gz ZWEMSWRBLXCJIM-OAHLLOKOSA-N 2 2 325.840 1.079 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000434177913 305118344 /nfs/dbraw/zinc/11/83/44/305118344.db2.gz ADHOTELRHAMGNU-SJORKVTESA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000434177913 305118345 /nfs/dbraw/zinc/11/83/45/305118345.db2.gz ADHOTELRHAMGNU-SJORKVTESA-N 2 2 340.512 1.469 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000434388067 305121414 /nfs/dbraw/zinc/12/14/14/305121414.db2.gz OMMICQXYTHNQJC-INIZCTEOSA-N 2 2 335.452 1.025 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000434388067 305121415 /nfs/dbraw/zinc/12/14/15/305121415.db2.gz OMMICQXYTHNQJC-INIZCTEOSA-N 2 2 335.452 1.025 20 0 EDADLP CN(C)c1nccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000434636938 305125638 /nfs/dbraw/zinc/12/56/38/305125638.db2.gz KUACONQGYOJBDG-KRWDZBQOSA-N 2 2 340.475 1.892 20 0 EDADLP CN(C)c1nccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000434636938 305125639 /nfs/dbraw/zinc/12/56/39/305125639.db2.gz KUACONQGYOJBDG-KRWDZBQOSA-N 2 2 340.475 1.892 20 0 EDADLP CN(C)c1nccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000434636938 305125640 /nfs/dbraw/zinc/12/56/40/305125640.db2.gz KUACONQGYOJBDG-KRWDZBQOSA-N 2 2 340.475 1.892 20 0 EDADLP CN(C)c1nccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000434636938 305125641 /nfs/dbraw/zinc/12/56/41/305125641.db2.gz KUACONQGYOJBDG-KRWDZBQOSA-N 2 2 340.475 1.892 20 0 EDADLP C[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435612523 305143358 /nfs/dbraw/zinc/14/33/58/305143358.db2.gz GKNKYYCYVPYBHR-AWEZNQCLSA-N 2 2 326.462 1.543 20 0 EDADLP C[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435612523 305143359 /nfs/dbraw/zinc/14/33/59/305143359.db2.gz GKNKYYCYVPYBHR-AWEZNQCLSA-N 2 2 326.462 1.543 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435622083 305143756 /nfs/dbraw/zinc/14/37/56/305143756.db2.gz BXCWGSVFICAVCS-ZWKOTPCHSA-N 2 2 344.503 1.703 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435622083 305143757 /nfs/dbraw/zinc/14/37/57/305143757.db2.gz BXCWGSVFICAVCS-ZWKOTPCHSA-N 2 2 344.503 1.703 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435626095 305143878 /nfs/dbraw/zinc/14/38/78/305143878.db2.gz NMDODRKFRYGPNW-KRWDZBQOSA-N 2 2 349.475 1.402 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435626095 305143879 /nfs/dbraw/zinc/14/38/79/305143879.db2.gz NMDODRKFRYGPNW-KRWDZBQOSA-N 2 2 349.475 1.402 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cnc(C(C)C)nc2)CC1 ZINC000440492070 305207985 /nfs/dbraw/zinc/20/79/85/305207985.db2.gz XKXALLMABOMTMJ-HNNXBMFYSA-N 2 2 333.480 1.584 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cnc(C(C)C)nc2)CC1 ZINC000440492070 305207986 /nfs/dbraw/zinc/20/79/86/305207986.db2.gz XKXALLMABOMTMJ-HNNXBMFYSA-N 2 2 333.480 1.584 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)[C@@H](C)O1 ZINC000446077018 305260693 /nfs/dbraw/zinc/26/06/93/305260693.db2.gz DEXGJKMVTUNDAQ-IXDOHACOSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)[C@@H](C)O1 ZINC000446077018 305260694 /nfs/dbraw/zinc/26/06/94/305260694.db2.gz DEXGJKMVTUNDAQ-IXDOHACOSA-N 2 2 346.475 1.618 20 0 EDADLP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000447658661 305283847 /nfs/dbraw/zinc/28/38/47/305283847.db2.gz IQAFULOQFOWLNT-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CC1(C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000447870905 305287725 /nfs/dbraw/zinc/28/77/25/305287725.db2.gz GHZKXBHMELJUON-KRWDZBQOSA-N 2 2 331.460 1.034 20 0 EDADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000447870905 305287726 /nfs/dbraw/zinc/28/77/26/305287726.db2.gz GHZKXBHMELJUON-KRWDZBQOSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000449658728 305316527 /nfs/dbraw/zinc/31/65/27/305316527.db2.gz UFYKVZARZPVPGL-HIFRSBDPSA-N 2 2 325.403 1.868 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[N@@H+](C)Cc1ccccc1 ZINC000449658728 305316528 /nfs/dbraw/zinc/31/65/28/305316528.db2.gz UFYKVZARZPVPGL-HIFRSBDPSA-N 2 2 325.403 1.868 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3C[NH2+]CCCO3)cn2c1 ZINC000449713618 305317869 /nfs/dbraw/zinc/31/78/69/305317869.db2.gz YRCYSCAMGQNODX-OAHLLOKOSA-N 2 2 348.472 1.371 20 0 EDADLP CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000451966610 305374848 /nfs/dbraw/zinc/37/48/48/305374848.db2.gz MNZRPTOETNKOIH-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000452383090 305395867 /nfs/dbraw/zinc/39/58/67/305395867.db2.gz ODPTZMJCEPOLFW-MRXNPFEDSA-N 2 2 328.416 1.449 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000452383090 305395868 /nfs/dbraw/zinc/39/58/68/305395868.db2.gz ODPTZMJCEPOLFW-MRXNPFEDSA-N 2 2 328.416 1.449 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452385987 305396324 /nfs/dbraw/zinc/39/63/24/305396324.db2.gz WFLSWSOFZIFGBJ-INIZCTEOSA-N 2 2 344.459 1.698 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452385987 305396325 /nfs/dbraw/zinc/39/63/25/305396325.db2.gz WFLSWSOFZIFGBJ-INIZCTEOSA-N 2 2 344.459 1.698 20 0 EDADLP Cc1noc(C)c1C[NH+](CCN1CC[NH2+]CC1)Cc1c(C)noc1C ZINC000515384173 305720517 /nfs/dbraw/zinc/72/05/17/305720517.db2.gz BFCUUQQDBXHLMW-UHFFFAOYSA-N 2 2 347.463 1.804 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)n1C ZINC000419697092 447355563 /nfs/dbraw/zinc/35/55/63/447355563.db2.gz QCTGMFAPGROXQM-WMZOPIPTSA-N 2 2 332.423 1.881 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414929446 447361163 /nfs/dbraw/zinc/36/11/63/447361163.db2.gz NXHQCESEOIWCCG-YCPHGPKFSA-N 2 2 339.480 1.154 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456333772 447363798 /nfs/dbraw/zinc/36/37/98/447363798.db2.gz ULURJTIIDHYQQK-AKBNIOSXSA-N 2 2 328.460 1.895 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456333772 447363802 /nfs/dbraw/zinc/36/38/02/447363802.db2.gz ULURJTIIDHYQQK-AKBNIOSXSA-N 2 2 328.460 1.895 20 0 EDADLP O=C(NCCNc1cc[nH+]cc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000534525018 306007471 /nfs/dbraw/zinc/00/74/71/306007471.db2.gz YLAVTXWDTVNWJT-UHFFFAOYSA-N 2 2 340.431 1.279 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000538599170 306031021 /nfs/dbraw/zinc/03/10/21/306031021.db2.gz XHZWAKUCLOZUHF-KRWDZBQOSA-N 2 2 344.459 1.241 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000538599170 306031022 /nfs/dbraw/zinc/03/10/22/306031022.db2.gz XHZWAKUCLOZUHF-KRWDZBQOSA-N 2 2 344.459 1.241 20 0 EDADLP CCc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000538603281 306031071 /nfs/dbraw/zinc/03/10/71/306031071.db2.gz VEJUOLNEZXQBNK-AWEZNQCLSA-N 2 2 337.489 1.333 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C[N@@H+]1C1CC1 ZINC000538682749 306031984 /nfs/dbraw/zinc/03/19/84/306031984.db2.gz YQTUNDJXVFDNLR-NWDGAFQWSA-N 2 2 342.447 1.389 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C[N@H+]1C1CC1 ZINC000538682749 306031985 /nfs/dbraw/zinc/03/19/85/306031985.db2.gz YQTUNDJXVFDNLR-NWDGAFQWSA-N 2 2 342.447 1.389 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547695802 306108855 /nfs/dbraw/zinc/10/88/55/306108855.db2.gz YNSUJYQQVCWDIY-CQSZACIVSA-N 2 2 347.488 1.708 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547695802 306108856 /nfs/dbraw/zinc/10/88/56/306108856.db2.gz YNSUJYQQVCWDIY-CQSZACIVSA-N 2 2 347.488 1.708 20 0 EDADLP CC(C)[C@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000548062619 306118940 /nfs/dbraw/zinc/11/89/40/306118940.db2.gz MPWPULUEFWZHKO-BZUAXINKSA-N 2 2 349.479 1.192 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000551942285 306169717 /nfs/dbraw/zinc/16/97/17/306169717.db2.gz AMGQPNPOGBVOKD-GOSISDBHSA-N 2 2 344.459 1.754 20 0 EDADLP C[NH+]1CCN(C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000554550494 306195264 /nfs/dbraw/zinc/19/52/64/306195264.db2.gz ZMXMUGHVRUXZAU-QGZVFWFLSA-N 2 2 341.459 1.447 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)O1 ZINC000556942108 306221605 /nfs/dbraw/zinc/22/16/05/306221605.db2.gz LWWYBLIGYVDNJO-CSININELSA-N 2 2 344.459 1.635 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)O1 ZINC000556942108 306221606 /nfs/dbraw/zinc/22/16/06/306221606.db2.gz LWWYBLIGYVDNJO-CSININELSA-N 2 2 344.459 1.635 20 0 EDADLP COCC1(CNC(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)CC[NH2+]CC1 ZINC000557219490 306226636 /nfs/dbraw/zinc/22/66/36/306226636.db2.gz SFQWHYBRTWXEGW-CQSZACIVSA-N 2 2 349.479 1.529 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000557522557 306228762 /nfs/dbraw/zinc/22/87/62/306228762.db2.gz AUKPSCUTPOBXAZ-ZWKOTPCHSA-N 2 2 344.503 1.654 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000414954079 447372574 /nfs/dbraw/zinc/37/25/74/447372574.db2.gz MPFVCBSOLFDUPL-WMLDXEAASA-N 2 2 331.460 1.822 20 0 EDADLP [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000414975281 447379964 /nfs/dbraw/zinc/37/99/64/447379964.db2.gz NSFXMHGSONQNFE-INIZCTEOSA-N 2 2 340.383 1.159 20 0 EDADLP CC[C@@H](CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)OC ZINC000422201130 447400950 /nfs/dbraw/zinc/40/09/50/447400950.db2.gz KMOUJMDUPLHMIN-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@@H](CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)OC ZINC000422201130 447400953 /nfs/dbraw/zinc/40/09/53/447400953.db2.gz KMOUJMDUPLHMIN-KRWDZBQOSA-N 2 2 340.512 1.613 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000665552365 453743902 /nfs/dbraw/zinc/74/39/02/453743902.db2.gz ATZHYMMHXZFJAR-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000665552365 453743904 /nfs/dbraw/zinc/74/39/04/453743904.db2.gz ATZHYMMHXZFJAR-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665552365 453743907 /nfs/dbraw/zinc/74/39/07/453743907.db2.gz ATZHYMMHXZFJAR-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665552365 453743913 /nfs/dbraw/zinc/74/39/13/453743913.db2.gz ATZHYMMHXZFJAR-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H](C)COC)CC2)CC1 ZINC000422225802 447410519 /nfs/dbraw/zinc/41/05/19/447410519.db2.gz HMYOGIGVEPFXMM-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H](C)COC)CC2)CC1 ZINC000422225802 447410521 /nfs/dbraw/zinc/41/05/21/447410521.db2.gz HMYOGIGVEPFXMM-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@]2(O)CCCC2(C)C)CC1 ZINC000458588180 447423972 /nfs/dbraw/zinc/42/39/72/447423972.db2.gz KEOOYWQZZGVCFL-SFHVURJKSA-N 2 2 340.512 1.253 20 0 EDADLP CC(=O)c1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000104102602 441190475 /nfs/dbraw/zinc/19/04/75/441190475.db2.gz GFIOWILYFPDVHX-UHFFFAOYSA-N 2 2 341.477 1.003 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000080498025 441175170 /nfs/dbraw/zinc/17/51/70/441175170.db2.gz WBAHYOCQFCHPED-MSOLQXFVSA-N 2 2 328.460 1.600 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000080498025 441175173 /nfs/dbraw/zinc/17/51/73/441175173.db2.gz WBAHYOCQFCHPED-MSOLQXFVSA-N 2 2 328.460 1.600 20 0 EDADLP C[C@@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000105121153 441236650 /nfs/dbraw/zinc/23/66/50/441236650.db2.gz MPEYRSOZOHULBO-ZDUSSCGKSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000105121153 441236652 /nfs/dbraw/zinc/23/66/52/441236652.db2.gz MPEYRSOZOHULBO-ZDUSSCGKSA-N 2 2 328.420 1.549 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCOc1ccccc1 ZINC000080959445 441212353 /nfs/dbraw/zinc/21/23/53/441212353.db2.gz VKEXFMMSRYGDGJ-HNNXBMFYSA-N 2 2 328.416 1.784 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCOc1ccccc1 ZINC000080959445 441212354 /nfs/dbraw/zinc/21/23/54/441212354.db2.gz VKEXFMMSRYGDGJ-HNNXBMFYSA-N 2 2 328.416 1.784 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000080969292 441214652 /nfs/dbraw/zinc/21/46/52/441214652.db2.gz QGICBHOIXWCNDJ-HNNXBMFYSA-N 3 2 333.480 1.578 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000080969292 441214655 /nfs/dbraw/zinc/21/46/55/441214655.db2.gz QGICBHOIXWCNDJ-HNNXBMFYSA-N 3 2 333.480 1.578 20 0 EDADLP C[N@H+](CC(=O)NCC(F)(F)F)C1CCN(c2cccc[nH+]2)CC1 ZINC000080983441 441217331 /nfs/dbraw/zinc/21/73/31/441217331.db2.gz CHYYFTCDUVEXAP-UHFFFAOYSA-N 2 2 330.354 1.661 20 0 EDADLP C[N@@H+](CC(=O)NCC(F)(F)F)C1CCN(c2cccc[nH+]2)CC1 ZINC000080983441 441217336 /nfs/dbraw/zinc/21/73/36/441217336.db2.gz CHYYFTCDUVEXAP-UHFFFAOYSA-N 2 2 330.354 1.661 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000073648425 441338677 /nfs/dbraw/zinc/33/86/77/441338677.db2.gz FUMVYAJWGJVTIE-UHFFFAOYSA-N 2 2 328.416 1.626 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000073648425 441338682 /nfs/dbraw/zinc/33/86/82/441338682.db2.gz FUMVYAJWGJVTIE-UHFFFAOYSA-N 2 2 328.416 1.626 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000073432836 441317011 /nfs/dbraw/zinc/31/70/11/441317011.db2.gz IOZMDMIXEOMKGB-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000073432836 441317014 /nfs/dbraw/zinc/31/70/14/441317014.db2.gz IOZMDMIXEOMKGB-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000073432836 441317016 /nfs/dbraw/zinc/31/70/16/441317016.db2.gz IOZMDMIXEOMKGB-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000073432836 441317020 /nfs/dbraw/zinc/31/70/20/441317020.db2.gz IOZMDMIXEOMKGB-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCCNc1cccc[nH+]1)Cc1ccccc1 ZINC000049795287 441365102 /nfs/dbraw/zinc/36/51/02/441365102.db2.gz LEQXPJOLOMUTHU-KRWDZBQOSA-N 2 2 341.459 1.966 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000083716358 441370001 /nfs/dbraw/zinc/37/00/01/441370001.db2.gz PQQNTLBEUKCRBF-LBPRGKRZSA-N 2 2 333.440 1.127 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn4cc(C)ccc4n3)C2)CC1 ZINC000107368355 441412068 /nfs/dbraw/zinc/41/20/68/441412068.db2.gz BKDWVAYIJBHOIR-SFHVURJKSA-N 2 2 327.476 1.855 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn4cc(C)ccc4n3)C2)CC1 ZINC000107368355 441412073 /nfs/dbraw/zinc/41/20/73/441412073.db2.gz BKDWVAYIJBHOIR-SFHVURJKSA-N 2 2 327.476 1.855 20 0 EDADLP CCOCC[N@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000107677877 441424388 /nfs/dbraw/zinc/42/43/88/441424388.db2.gz VZFUTWHKQQAKCD-UHFFFAOYSA-N 2 2 334.464 1.479 20 0 EDADLP CCOCC[N@@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000107677877 441424392 /nfs/dbraw/zinc/42/43/92/441424392.db2.gz VZFUTWHKQQAKCD-UHFFFAOYSA-N 2 2 334.464 1.479 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)c2ccc3[nH+]ccn3c2)C[C@@H](C)O1 ZINC000085456256 441441179 /nfs/dbraw/zinc/44/11/79/441441179.db2.gz ACSYHLOMZSJBCZ-HUUCEWRRSA-N 2 2 330.432 1.954 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000053812754 441543529 /nfs/dbraw/zinc/54/35/29/441543529.db2.gz OEPRYKKGVSCCFJ-SFHVURJKSA-N 2 2 344.503 1.670 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)CN3CC[NH+](C)CC3)c[nH+]2)CC1 ZINC000109951874 441511964 /nfs/dbraw/zinc/51/19/64/441511964.db2.gz YPRLAVJIPJFDFU-UHFFFAOYSA-N 2 2 345.491 1.182 20 0 EDADLP C[N@H+](CCNS(=O)(=O)c1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000075860013 441559911 /nfs/dbraw/zinc/55/99/11/441559911.db2.gz KSDYSRUZASKUKN-MRXNPFEDSA-N 2 2 339.505 1.771 20 0 EDADLP C[N@@H+](CCNS(=O)(=O)c1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000075860013 441559915 /nfs/dbraw/zinc/55/99/15/441559915.db2.gz KSDYSRUZASKUKN-MRXNPFEDSA-N 2 2 339.505 1.771 20 0 EDADLP C[NH+](CCNS(=O)(=O)c1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860013 441559919 /nfs/dbraw/zinc/55/99/19/441559919.db2.gz KSDYSRUZASKUKN-MRXNPFEDSA-N 2 2 339.505 1.771 20 0 EDADLP C[NH+](CCNS(=O)(=O)c1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000075860013 441559923 /nfs/dbraw/zinc/55/99/23/441559923.db2.gz KSDYSRUZASKUKN-MRXNPFEDSA-N 2 2 339.505 1.771 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000054042149 441555753 /nfs/dbraw/zinc/55/57/53/441555753.db2.gz QWYWWJJBLZGKLW-MRXNPFEDSA-N 2 2 345.447 1.884 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000090662051 441641102 /nfs/dbraw/zinc/64/11/02/441641102.db2.gz MVLDZJWARSTZII-WMZOPIPTSA-N 2 2 333.476 1.671 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CO)CCOCC1 ZINC000090662051 441641107 /nfs/dbraw/zinc/64/11/07/441641107.db2.gz MVLDZJWARSTZII-WMZOPIPTSA-N 2 2 333.476 1.671 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000114485668 441663651 /nfs/dbraw/zinc/66/36/51/441663651.db2.gz SZKMGYDAIVLWPE-MRXNPFEDSA-N 2 2 335.473 1.241 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000114485668 441663655 /nfs/dbraw/zinc/66/36/55/441663655.db2.gz SZKMGYDAIVLWPE-MRXNPFEDSA-N 2 2 335.473 1.241 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000113513129 441613283 /nfs/dbraw/zinc/61/32/83/441613283.db2.gz GYTJDYHSGKCZFM-CQSZACIVSA-N 2 2 339.867 1.719 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000113513129 441613284 /nfs/dbraw/zinc/61/32/84/441613284.db2.gz GYTJDYHSGKCZFM-CQSZACIVSA-N 2 2 339.867 1.719 20 0 EDADLP CCN(CCC[NH2+]C1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000121556795 441731319 /nfs/dbraw/zinc/73/13/19/441731319.db2.gz HHZYZKYYJGXATP-UHFFFAOYSA-N 2 2 340.493 1.312 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000137208717 441755734 /nfs/dbraw/zinc/75/57/34/441755734.db2.gz CDCVBBHGMROGMB-HZPDHXFCSA-N 2 2 333.480 1.869 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000137208717 441755741 /nfs/dbraw/zinc/75/57/41/441755741.db2.gz CDCVBBHGMROGMB-HZPDHXFCSA-N 2 2 333.480 1.869 20 0 EDADLP CCC[N@@H+](CC(=O)NC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000056508227 441721452 /nfs/dbraw/zinc/72/14/52/441721452.db2.gz SCBCLIKSMPEHHD-HNNXBMFYSA-N 2 2 332.448 1.472 20 0 EDADLP CCC[N@H+](CC(=O)NC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000056508227 441721458 /nfs/dbraw/zinc/72/14/58/441721458.db2.gz SCBCLIKSMPEHHD-HNNXBMFYSA-N 2 2 332.448 1.472 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCCC[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000057014293 441771860 /nfs/dbraw/zinc/77/18/60/441771860.db2.gz GIRUYJGDTWITSY-GOSISDBHSA-N 2 2 348.491 1.619 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000068550798 441820312 /nfs/dbraw/zinc/82/03/12/441820312.db2.gz DZLZMHHLGMARSR-UHFFFAOYSA-N 2 2 342.447 1.158 20 0 EDADLP C[N@H+](CCNc1cc(-n2cccn2)nc(N)[nH+]1)Cc1ccc(F)cc1 ZINC000092919683 441839120 /nfs/dbraw/zinc/83/91/20/441839120.db2.gz MJSHFCIFZIUOSQ-UHFFFAOYSA-N 2 2 341.394 1.928 20 0 EDADLP C[N@@H+](CCNc1cc(-n2cccn2)nc(N)[nH+]1)Cc1ccc(F)cc1 ZINC000092919683 441839125 /nfs/dbraw/zinc/83/91/25/441839125.db2.gz MJSHFCIFZIUOSQ-UHFFFAOYSA-N 2 2 341.394 1.928 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842908 441906964 /nfs/dbraw/zinc/90/69/64/441906964.db2.gz ZFDGQPNLJFWVBX-MRXNPFEDSA-N 2 2 332.448 1.286 20 0 EDADLP C[N@H+](CC(=O)NC(=O)NCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842908 441906967 /nfs/dbraw/zinc/90/69/67/441906967.db2.gz ZFDGQPNLJFWVBX-MRXNPFEDSA-N 2 2 332.448 1.286 20 0 EDADLP C[NH+](CC(=O)NC(=O)NCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842908 441906970 /nfs/dbraw/zinc/90/69/70/441906970.db2.gz ZFDGQPNLJFWVBX-MRXNPFEDSA-N 2 2 332.448 1.286 20 0 EDADLP C[NH+](CC(=O)NC(=O)NCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842908 441906975 /nfs/dbraw/zinc/90/69/75/441906975.db2.gz ZFDGQPNLJFWVBX-MRXNPFEDSA-N 2 2 332.448 1.286 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)nc[nH+]1 ZINC000150895718 441970532 /nfs/dbraw/zinc/97/05/32/441970532.db2.gz DERSABGRBZTXQV-IRXDYDNUSA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)[nH+]cn1 ZINC000150895718 441970536 /nfs/dbraw/zinc/97/05/36/441970536.db2.gz DERSABGRBZTXQV-IRXDYDNUSA-N 2 2 345.491 1.892 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000174662078 441950684 /nfs/dbraw/zinc/95/06/84/441950684.db2.gz OBMBNSSXCWIZND-QGZVFWFLSA-N 2 2 346.475 1.799 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000174662078 441950688 /nfs/dbraw/zinc/95/06/88/441950688.db2.gz OBMBNSSXCWIZND-QGZVFWFLSA-N 2 2 346.475 1.799 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000150812847 441956282 /nfs/dbraw/zinc/95/62/82/441956282.db2.gz FHYGMVCOIBUCDQ-QGZVFWFLSA-N 3 2 336.524 1.393 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000150812847 441956287 /nfs/dbraw/zinc/95/62/87/441956287.db2.gz FHYGMVCOIBUCDQ-QGZVFWFLSA-N 3 2 336.524 1.393 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000150847994 441962068 /nfs/dbraw/zinc/96/20/68/441962068.db2.gz JJQADIWIAICECG-SJLPKXTDSA-N 2 2 343.471 1.524 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000150847994 441962073 /nfs/dbraw/zinc/96/20/73/441962073.db2.gz JJQADIWIAICECG-SJLPKXTDSA-N 2 2 343.471 1.524 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000125325087 442010448 /nfs/dbraw/zinc/01/04/48/442010448.db2.gz VJJPZBOKNBVRIQ-CJNGLKHVSA-N 2 2 329.366 1.917 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000125325087 442010453 /nfs/dbraw/zinc/01/04/53/442010453.db2.gz VJJPZBOKNBVRIQ-CJNGLKHVSA-N 2 2 329.366 1.917 20 0 EDADLP CC[C@H](C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000125407787 442019354 /nfs/dbraw/zinc/01/93/54/442019354.db2.gz DOUDBMAQPXFIBO-QGZVFWFLSA-N 2 2 346.475 1.282 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000120309742 442047071 /nfs/dbraw/zinc/04/70/71/442047071.db2.gz FJNXWKCBYFRBEM-ZBFHGGJFSA-N 2 2 334.439 1.204 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCSCC1 ZINC000151508142 442074885 /nfs/dbraw/zinc/07/48/85/442074885.db2.gz WDFSQYDPNJCQND-OAHLLOKOSA-N 2 2 348.516 1.600 20 0 EDADLP Cc1[nH+]c2ccccn2c1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162366966 442086733 /nfs/dbraw/zinc/08/67/33/442086733.db2.gz YKFPERZTBMKIQJ-INIZCTEOSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1[nH+]c2ccccn2c1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162366966 442086736 /nfs/dbraw/zinc/08/67/36/442086736.db2.gz YKFPERZTBMKIQJ-INIZCTEOSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1cccc2[nH+]c(CN3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)cn21 ZINC000162382058 442088519 /nfs/dbraw/zinc/08/85/19/442088519.db2.gz DZVOXOVLHPEREC-QGZVFWFLSA-N 2 2 341.459 1.381 20 0 EDADLP Cc1cccc2[nH+]c(CN3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cn21 ZINC000162382058 442088525 /nfs/dbraw/zinc/08/85/25/442088525.db2.gz DZVOXOVLHPEREC-QGZVFWFLSA-N 2 2 341.459 1.381 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000162702344 442115716 /nfs/dbraw/zinc/11/57/16/442115716.db2.gz OKPITKYKWUIKDR-KRWDZBQOSA-N 2 2 344.459 1.254 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000162702344 442115723 /nfs/dbraw/zinc/11/57/23/442115723.db2.gz OKPITKYKWUIKDR-KRWDZBQOSA-N 2 2 344.459 1.254 20 0 EDADLP C[C@@H](Cc1ccc(O)cc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175675096 442104445 /nfs/dbraw/zinc/10/44/45/442104445.db2.gz PIQMJVILXFNMHP-HNNXBMFYSA-N 2 2 348.491 1.648 20 0 EDADLP COc1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1OC(C)C ZINC000162575952 442105228 /nfs/dbraw/zinc/10/52/28/442105228.db2.gz NAZUUUGCCVSKQO-IQIBNGDESA-N 2 2 347.459 1.597 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4ccsc4C3)cn2)CC1 ZINC000127071715 442167074 /nfs/dbraw/zinc/16/70/74/442167074.db2.gz QBXYDSWOGOUFDS-UHFFFAOYSA-N 2 2 329.473 1.848 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4ccsc4C3)cn2)CC1 ZINC000127071715 442167077 /nfs/dbraw/zinc/16/70/77/442167077.db2.gz QBXYDSWOGOUFDS-UHFFFAOYSA-N 2 2 329.473 1.848 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000176357855 442213758 /nfs/dbraw/zinc/21/37/58/442213758.db2.gz OOVUHBJXCOMEJN-GDBMZVCRSA-N 2 2 332.448 1.378 20 0 EDADLP CC[NH+](CC)CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000127914831 442233566 /nfs/dbraw/zinc/23/35/66/442233566.db2.gz SBAIYENZUXPYDF-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP CC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000128522655 442271772 /nfs/dbraw/zinc/27/17/72/442271772.db2.gz COMWJVGFPDFHBN-CVEARBPZSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000128559914 442274481 /nfs/dbraw/zinc/27/44/81/442274481.db2.gz QLWCVGDCISBJKS-ZBFHGGJFSA-N 2 2 341.415 1.489 20 0 EDADLP C[C@H](c1cccnc1)N1C(=O)C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000128559914 442274484 /nfs/dbraw/zinc/27/44/84/442274484.db2.gz QLWCVGDCISBJKS-ZBFHGGJFSA-N 2 2 341.415 1.489 20 0 EDADLP CC(C)n1nccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154208222 442326918 /nfs/dbraw/zinc/32/69/18/442326918.db2.gz YGMOMEBKHJQMHZ-SJPCQFCGSA-N 2 2 345.491 1.847 20 0 EDADLP CC(C)n1nccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154208222 442326921 /nfs/dbraw/zinc/32/69/21/442326921.db2.gz YGMOMEBKHJQMHZ-SJPCQFCGSA-N 2 2 345.491 1.847 20 0 EDADLP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000177358061 442331882 /nfs/dbraw/zinc/33/18/82/442331882.db2.gz AFAFZMKFHYUCRP-OAHLLOKOSA-N 2 2 341.496 1.944 20 0 EDADLP CC1CC[NH+](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000154645274 442349437 /nfs/dbraw/zinc/34/94/37/442349437.db2.gz UAGVWSPDNFRPEI-QGZVFWFLSA-N 2 2 332.448 1.976 20 0 EDADLP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000177506077 442350614 /nfs/dbraw/zinc/35/06/14/442350614.db2.gz IFXLOXYYYQQKFQ-OAHLLOKOSA-N 2 2 327.469 1.555 20 0 EDADLP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000177506077 442350615 /nfs/dbraw/zinc/35/06/15/442350615.db2.gz IFXLOXYYYQQKFQ-OAHLLOKOSA-N 2 2 327.469 1.555 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129291735 442310156 /nfs/dbraw/zinc/31/01/56/442310156.db2.gz NUDRRIQDHIHDAN-ZWKOTPCHSA-N 2 2 345.487 1.654 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000131332357 442369803 /nfs/dbraw/zinc/36/98/03/442369803.db2.gz HTIQJFVRQLBQJL-OAHLLOKOSA-N 2 2 325.478 1.320 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000131332357 442369806 /nfs/dbraw/zinc/36/98/06/442369806.db2.gz HTIQJFVRQLBQJL-OAHLLOKOSA-N 2 2 325.478 1.320 20 0 EDADLP CO[C@@]1(C)C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000155163744 442379118 /nfs/dbraw/zinc/37/91/18/442379118.db2.gz WYYPBNXEAVVROP-HKUYNNGSSA-N 2 2 339.524 1.576 20 0 EDADLP CO[C@@]1(C)C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000155163744 442379121 /nfs/dbraw/zinc/37/91/21/442379121.db2.gz WYYPBNXEAVVROP-HKUYNNGSSA-N 2 2 339.524 1.576 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177770789 442381932 /nfs/dbraw/zinc/38/19/32/442381932.db2.gz YGPJBSKAHQIIQI-INIZCTEOSA-N 2 2 345.447 1.587 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000171562279 442357589 /nfs/dbraw/zinc/35/75/89/442357589.db2.gz LDRHGODYRAMSBR-UHFFFAOYSA-N 2 2 347.507 1.432 20 0 EDADLP CC(C)(C[NH2+]C1CCN(C(N)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000155666266 442417721 /nfs/dbraw/zinc/41/77/21/442417721.db2.gz JADGTXPWRGEXQW-UHFFFAOYSA-N 2 2 330.476 1.956 20 0 EDADLP CC(C)(C[NH2+]C1CCN(C(N)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000155666266 442417724 /nfs/dbraw/zinc/41/77/24/442417724.db2.gz JADGTXPWRGEXQW-UHFFFAOYSA-N 2 2 330.476 1.956 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000178288633 442422002 /nfs/dbraw/zinc/42/20/02/442422002.db2.gz VGUKHECQZLBBKU-QGZVFWFLSA-N 2 2 348.491 1.704 20 0 EDADLP COCC[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000178822618 442495097 /nfs/dbraw/zinc/49/50/97/442495097.db2.gz BCTWUMXNLSHDMO-CQSZACIVSA-N 2 2 339.867 1.781 20 0 EDADLP CC[C@]1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000134564961 442495721 /nfs/dbraw/zinc/49/57/21/442495721.db2.gz ZSQDLHZDJGUCKG-ZRGWGRIASA-N 2 2 346.475 1.844 20 0 EDADLP NC(=O)c1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000178871116 442509444 /nfs/dbraw/zinc/50/94/44/442509444.db2.gz VZBAKKBCTVBMEF-UHFFFAOYSA-N 2 2 345.366 1.922 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156410943 442477452 /nfs/dbraw/zinc/47/74/52/442477452.db2.gz XJRDWMYMOJXEDL-ZBFHGGJFSA-N 2 2 347.463 1.925 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156410943 442477457 /nfs/dbraw/zinc/47/74/57/442477457.db2.gz XJRDWMYMOJXEDL-ZBFHGGJFSA-N 2 2 347.463 1.925 20 0 EDADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCCn1cc[nH+]c1 ZINC000157055832 442544694 /nfs/dbraw/zinc/54/46/94/442544694.db2.gz KPDLNPRFVRWQLT-GOSISDBHSA-N 2 2 342.443 1.681 20 0 EDADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCCn1cc[nH+]c1 ZINC000157055832 442544698 /nfs/dbraw/zinc/54/46/98/442544698.db2.gz KPDLNPRFVRWQLT-GOSISDBHSA-N 2 2 342.443 1.681 20 0 EDADLP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCc3[nH]cc[nH+]3)cc2)CC1 ZINC000172990382 442579037 /nfs/dbraw/zinc/57/90/37/442579037.db2.gz OTFHWZZBJLSMIE-UHFFFAOYSA-N 2 2 341.459 1.913 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000186699828 442594656 /nfs/dbraw/zinc/59/46/56/442594656.db2.gz XISDGQTYLDJFIZ-FXAWDEMLSA-N 2 2 345.487 1.863 20 0 EDADLP C[C@@H]1COCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000192131472 442600094 /nfs/dbraw/zinc/60/00/94/442600094.db2.gz GSHSQVGKBRQFTB-HZPDHXFCSA-N 2 2 332.448 1.135 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC000157657407 442601682 /nfs/dbraw/zinc/60/16/82/442601682.db2.gz ONVLQKHGESYFKI-UHFFFAOYSA-N 2 2 349.475 1.558 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC000157657407 442601685 /nfs/dbraw/zinc/60/16/85/442601685.db2.gz ONVLQKHGESYFKI-UHFFFAOYSA-N 2 2 349.475 1.558 20 0 EDADLP C[NH+]1CCN(C(=O)CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000180475282 442607313 /nfs/dbraw/zinc/60/73/13/442607313.db2.gz LSRXSDROMZZPHW-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP C[NH+]1CCN(C(=O)CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000180475282 442607317 /nfs/dbraw/zinc/60/73/17/442607317.db2.gz LSRXSDROMZZPHW-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)[C@H]1CC[NH2+]C1 ZINC000179059830 442562420 /nfs/dbraw/zinc/56/24/20/442562420.db2.gz PIPPOCGZSOLNEV-INIZCTEOSA-N 2 2 341.415 1.346 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](CO)C(C)C)CC2)c1 ZINC000180618986 442635923 /nfs/dbraw/zinc/63/59/23/442635923.db2.gz CEHXXHUPTNMDNT-GOSISDBHSA-N 2 2 333.476 1.246 20 0 EDADLP CC(C)(C)[C@@H](CCO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000158004204 442636333 /nfs/dbraw/zinc/63/63/33/442636333.db2.gz AQYYPQQHKFSHGA-QGZVFWFLSA-N 2 2 327.513 1.170 20 0 EDADLP CC(C)(C)[C@@H](CCO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000158004204 442636338 /nfs/dbraw/zinc/63/63/38/442636338.db2.gz AQYYPQQHKFSHGA-QGZVFWFLSA-N 2 2 327.513 1.170 20 0 EDADLP CSCC[C@H](C)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179282974 442612216 /nfs/dbraw/zinc/61/22/16/442612216.db2.gz UGXIAXCFIUIGMW-AWEZNQCLSA-N 2 2 330.542 1.795 20 0 EDADLP C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022895 442675142 /nfs/dbraw/zinc/67/51/42/442675142.db2.gz GXJWDVVWKKFNHJ-JKSUJKDBSA-N 2 2 335.448 1.123 20 0 EDADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000181031601 442676166 /nfs/dbraw/zinc/67/61/66/442676166.db2.gz GLVAQUYIWYZGNL-WMZOPIPTSA-N 2 2 331.460 1.579 20 0 EDADLP CC(C)OCC[NH+]1CCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192751050 442683479 /nfs/dbraw/zinc/68/34/79/442683479.db2.gz XZHXOUNEONPMMU-UHFFFAOYSA-N 2 2 340.556 1.445 20 0 EDADLP CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000187818132 442694000 /nfs/dbraw/zinc/69/40/00/442694000.db2.gz IURZUJUJNPMTQA-QGZVFWFLSA-N 2 2 337.489 1.132 20 0 EDADLP CS(=O)(=O)N1CC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000187818132 442694003 /nfs/dbraw/zinc/69/40/03/442694003.db2.gz IURZUJUJNPMTQA-QGZVFWFLSA-N 2 2 337.489 1.132 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193215603 442723058 /nfs/dbraw/zinc/72/30/58/442723058.db2.gz ACKJCPHQRCIIDY-SFHVURJKSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193215603 442723060 /nfs/dbraw/zinc/72/30/60/442723060.db2.gz ACKJCPHQRCIIDY-SFHVURJKSA-N 2 2 335.492 1.620 20 0 EDADLP Cn1ncc2c1ncnc2N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193463186 442745578 /nfs/dbraw/zinc/74/55/78/442745578.db2.gz KGBCKHPMBSCPMB-UHFFFAOYSA-N 2 2 343.479 1.361 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC2CC[NH+](C)CC2)CC1 ZINC000188502534 442757261 /nfs/dbraw/zinc/75/72/61/442757261.db2.gz IMEKKXMETSZJBX-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000188715126 442795377 /nfs/dbraw/zinc/79/53/77/442795377.db2.gz XZHWCPLUKDNBET-RJZRQDKASA-N 2 2 336.411 1.011 20 0 EDADLP C[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000193842065 442797216 /nfs/dbraw/zinc/79/72/16/442797216.db2.gz VHAWOBIAUXYMMZ-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182333277 442758155 /nfs/dbraw/zinc/75/81/55/442758155.db2.gz VDVPIXRMCZDANB-CVEARBPZSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182333277 442758156 /nfs/dbraw/zinc/75/81/56/442758156.db2.gz VDVPIXRMCZDANB-CVEARBPZSA-N 2 2 331.464 1.773 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000267913843 442784959 /nfs/dbraw/zinc/78/49/59/442784959.db2.gz BOKPCRPBWRNONO-DOTOQJQBSA-N 2 2 343.471 1.874 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000267913843 442784964 /nfs/dbraw/zinc/78/49/64/442784964.db2.gz BOKPCRPBWRNONO-DOTOQJQBSA-N 2 2 343.471 1.874 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188788825 442812670 /nfs/dbraw/zinc/81/26/70/442812670.db2.gz YHYTZZJKDWPSPP-AWEZNQCLSA-N 2 2 330.432 1.124 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188788825 442812676 /nfs/dbraw/zinc/81/26/76/442812676.db2.gz YHYTZZJKDWPSPP-AWEZNQCLSA-N 2 2 330.432 1.124 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000188892419 442836395 /nfs/dbraw/zinc/83/63/95/442836395.db2.gz PEZKRMCPZGPUEW-INIZCTEOSA-N 2 2 337.851 1.145 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000188892419 442836398 /nfs/dbraw/zinc/83/63/98/442836398.db2.gz PEZKRMCPZGPUEW-INIZCTEOSA-N 2 2 337.851 1.145 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000188892419 442836399 /nfs/dbraw/zinc/83/63/99/442836399.db2.gz PEZKRMCPZGPUEW-INIZCTEOSA-N 2 2 337.851 1.145 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000188892419 442836401 /nfs/dbraw/zinc/83/64/01/442836401.db2.gz PEZKRMCPZGPUEW-INIZCTEOSA-N 2 2 337.851 1.145 20 0 EDADLP COCCC[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182869544 442839435 /nfs/dbraw/zinc/83/94/35/442839435.db2.gz HIMZJACVCKUKIV-HRBLRVMOSA-N 2 2 337.508 1.819 20 0 EDADLP COCCC[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182869544 442839439 /nfs/dbraw/zinc/83/94/39/442839439.db2.gz HIMZJACVCKUKIV-HRBLRVMOSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)C[N@@H+]1Cc1ccccc1 ZINC000268156103 442874969 /nfs/dbraw/zinc/87/49/69/442874969.db2.gz YNXHEUFMKUUKPH-GOEBONIOSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)C[N@H+]1Cc1ccccc1 ZINC000268156103 442874973 /nfs/dbraw/zinc/87/49/73/442874973.db2.gz YNXHEUFMKUUKPH-GOEBONIOSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000194476446 442904573 /nfs/dbraw/zinc/90/45/73/442904573.db2.gz NTPQBTVBTHETCU-CVEARBPZSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000248737109 442921617 /nfs/dbraw/zinc/92/16/17/442921617.db2.gz CHJVITYZHJGDMJ-MUJYYYPQSA-N 2 2 335.448 1.158 20 0 EDADLP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000248737109 442921620 /nfs/dbraw/zinc/92/16/20/442921620.db2.gz CHJVITYZHJGDMJ-MUJYYYPQSA-N 2 2 335.448 1.158 20 0 EDADLP COC[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000183465898 442933647 /nfs/dbraw/zinc/93/36/47/442933647.db2.gz GJIHUQAENAGGGR-GOEBONIOSA-N 2 2 332.448 1.133 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000249943360 443009415 /nfs/dbraw/zinc/00/94/15/443009415.db2.gz XFUXJCOXEPZQQO-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000249943360 443009420 /nfs/dbraw/zinc/00/94/20/443009420.db2.gz XFUXJCOXEPZQQO-ZWKOTPCHSA-N 2 2 346.475 1.453 20 0 EDADLP COC[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000251940177 443020917 /nfs/dbraw/zinc/02/09/17/443020917.db2.gz UPAINKDYQKESMD-BPQIPLTHSA-N 2 2 349.475 1.141 20 0 EDADLP COC[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000251940177 443020922 /nfs/dbraw/zinc/02/09/22/443020922.db2.gz UPAINKDYQKESMD-BPQIPLTHSA-N 2 2 349.475 1.141 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3c2cccc3F)CC1 ZINC000184570421 443041147 /nfs/dbraw/zinc/04/11/47/443041147.db2.gz XMZFUEDRILAIHT-UHFFFAOYSA-N 2 2 334.439 1.924 20 0 EDADLP COCCCn1nccc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089331 450398630 /nfs/dbraw/zinc/39/86/30/450398630.db2.gz CDBRDPVPYUMMPK-UHFFFAOYSA-N 2 2 330.423 1.986 20 0 EDADLP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000236652414 443142215 /nfs/dbraw/zinc/14/22/15/443142215.db2.gz XPFAGLXFAKNVOD-ROUUACIJSA-N 2 2 331.460 1.564 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCOCC1 ZINC000236664767 443142976 /nfs/dbraw/zinc/14/29/76/443142976.db2.gz RGLVWLWJQIMYRU-ROUUACIJSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000268774340 443104387 /nfs/dbraw/zinc/10/43/87/443104387.db2.gz UXXGJPPJVSNGQM-NJAFHUGGSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000268774340 443104389 /nfs/dbraw/zinc/10/43/89/443104389.db2.gz UXXGJPPJVSNGQM-NJAFHUGGSA-N 2 2 336.501 1.921 20 0 EDADLP [NH3+]C1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000237873240 443185941 /nfs/dbraw/zinc/18/59/41/443185941.db2.gz JEAHLTXVXMYZEJ-UHFFFAOYSA-N 2 2 333.329 1.884 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266615646 443187252 /nfs/dbraw/zinc/18/72/52/443187252.db2.gz UUWMAPZYJAPLFO-SFHVURJKSA-N 2 2 342.443 1.599 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266615646 443187254 /nfs/dbraw/zinc/18/72/54/443187254.db2.gz UUWMAPZYJAPLFO-SFHVURJKSA-N 2 2 342.443 1.599 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000245419379 443225876 /nfs/dbraw/zinc/22/58/76/443225876.db2.gz LSWUDXFKKJPNFE-IRXDYDNUSA-N 2 2 345.491 1.389 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000245419379 443225878 /nfs/dbraw/zinc/22/58/78/443225878.db2.gz LSWUDXFKKJPNFE-IRXDYDNUSA-N 2 2 345.491 1.389 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C[C@H]1C ZINC000269206399 443232418 /nfs/dbraw/zinc/23/24/18/443232418.db2.gz DDESFXCFRUFUBP-RKVPGOIHSA-N 2 2 326.444 1.916 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(O)cc(F)c3)cn2)CC1 ZINC000185461466 443203510 /nfs/dbraw/zinc/20/35/10/443203510.db2.gz WDMWTHVUYJVRTF-UHFFFAOYSA-N 2 2 330.407 1.968 20 0 EDADLP CC[NH+]1CCN(C(=O)Cc2noc([C@@H]3CCC[N@@H+]3C3CC3)n2)CC1 ZINC000350213139 319044411 /nfs/dbraw/zinc/04/44/11/319044411.db2.gz RPKHWVVERQJEHI-AWEZNQCLSA-N 2 2 333.436 1.076 20 0 EDADLP CC[NH+]1CCN(C(=O)Cc2noc([C@@H]3CCC[N@H+]3C3CC3)n2)CC1 ZINC000350213139 319044413 /nfs/dbraw/zinc/04/44/13/319044413.db2.gz RPKHWVVERQJEHI-AWEZNQCLSA-N 2 2 333.436 1.076 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000269239600 443246070 /nfs/dbraw/zinc/24/60/70/443246070.db2.gz CIFFGWXESVZUGY-HZPDHXFCSA-N 2 2 331.460 1.718 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc3nsnc32)C[C@@H]1C[NH3+] ZINC000397333927 319134067 /nfs/dbraw/zinc/13/40/67/319134067.db2.gz SFPJJMXQEUBJKD-WOPDTQHZSA-N 2 2 333.461 1.935 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc3nsnc32)C[C@@H]1C[NH3+] ZINC000397333927 319134068 /nfs/dbraw/zinc/13/40/68/319134068.db2.gz SFPJJMXQEUBJKD-WOPDTQHZSA-N 2 2 333.461 1.935 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411240560 319172618 /nfs/dbraw/zinc/17/26/18/319172618.db2.gz NYMLEYHDAJMYHE-OAHLLOKOSA-N 2 2 348.447 1.172 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411240560 319172621 /nfs/dbraw/zinc/17/26/21/319172621.db2.gz NYMLEYHDAJMYHE-OAHLLOKOSA-N 2 2 348.447 1.172 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000411247070 319174934 /nfs/dbraw/zinc/17/49/34/319174934.db2.gz TYQLZAYMGFJVIW-CQSZACIVSA-N 2 2 348.447 1.124 20 0 EDADLP COCC[N@H+]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC000411247070 319174936 /nfs/dbraw/zinc/17/49/36/319174936.db2.gz TYQLZAYMGFJVIW-CQSZACIVSA-N 2 2 348.447 1.124 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC000413044709 319259691 /nfs/dbraw/zinc/25/96/91/319259691.db2.gz PFOKQTCQJAUUOB-QGZVFWFLSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000414082032 319315932 /nfs/dbraw/zinc/31/59/32/319315932.db2.gz VUXOAQNLVUZDTN-WCQYABFASA-N 2 2 328.254 1.683 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000414082032 319315934 /nfs/dbraw/zinc/31/59/34/319315934.db2.gz VUXOAQNLVUZDTN-WCQYABFASA-N 2 2 328.254 1.683 20 0 EDADLP COCCNC(=O)C1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000414213900 319321163 /nfs/dbraw/zinc/32/11/63/319321163.db2.gz RWXNIJJOSFKKFC-WMZOPIPTSA-N 2 2 345.487 1.924 20 0 EDADLP COCCNC(=O)C1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000414213900 319321165 /nfs/dbraw/zinc/32/11/65/319321165.db2.gz RWXNIJJOSFKKFC-WMZOPIPTSA-N 2 2 345.487 1.924 20 0 EDADLP COc1cc(OC)c(OC)cc1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414266327 319323451 /nfs/dbraw/zinc/32/34/51/319323451.db2.gz RXDXGQRMJVFZLK-UHFFFAOYSA-N 2 2 334.420 1.802 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C2)cc1OC ZINC000414542855 319329770 /nfs/dbraw/zinc/32/97/70/319329770.db2.gz LRMZJQYSVFPWEF-OAHLLOKOSA-N 2 2 335.448 1.394 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC000414542855 319329772 /nfs/dbraw/zinc/32/97/72/319329772.db2.gz LRMZJQYSVFPWEF-OAHLLOKOSA-N 2 2 335.448 1.394 20 0 EDADLP C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415127716 319346730 /nfs/dbraw/zinc/34/67/30/319346730.db2.gz SGNJQERQGOTBBN-MJGOQNOKSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415127716 319346732 /nfs/dbraw/zinc/34/67/32/319346732.db2.gz SGNJQERQGOTBBN-MJGOQNOKSA-N 2 2 344.503 1.390 20 0 EDADLP C[NH+](C)CC1(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCC1 ZINC000185796679 443259017 /nfs/dbraw/zinc/25/90/17/443259017.db2.gz PPDOBTPOIDYJNX-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP C[NH+](C)CC1(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCC1 ZINC000185796679 443259021 /nfs/dbraw/zinc/25/90/21/443259021.db2.gz PPDOBTPOIDYJNX-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000269269813 443259803 /nfs/dbraw/zinc/25/98/03/443259803.db2.gz RLEHYDBMNMKPRI-YOEHRIQHSA-N 2 2 333.432 1.334 20 0 EDADLP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000269269813 443259805 /nfs/dbraw/zinc/25/98/05/443259805.db2.gz RLEHYDBMNMKPRI-YOEHRIQHSA-N 2 2 333.432 1.334 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@@]3(C)C(N)=O)c2cc1C ZINC000185967240 443291463 /nfs/dbraw/zinc/29/14/63/443291463.db2.gz AIFPHJBWFMPULB-KXBFYZLASA-N 2 2 344.459 1.744 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@@]3(C)C(N)=O)c2cc1C ZINC000185967240 443291467 /nfs/dbraw/zinc/29/14/67/443291467.db2.gz AIFPHJBWFMPULB-KXBFYZLASA-N 2 2 344.459 1.744 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CCSC1 ZINC000267106864 443343506 /nfs/dbraw/zinc/34/35/06/443343506.db2.gz MDEPPTLRBXZDRO-MRXNPFEDSA-N 2 2 331.445 1.434 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272444796 443319344 /nfs/dbraw/zinc/31/93/44/443319344.db2.gz JACPNLNWEPFBNA-SXLOBPIMSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272444796 443319350 /nfs/dbraw/zinc/31/93/50/443319350.db2.gz JACPNLNWEPFBNA-SXLOBPIMSA-N 3 2 331.504 1.943 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000416943622 319481289 /nfs/dbraw/zinc/48/12/89/319481289.db2.gz CMAWVKTVVZYOKT-HOTGVXAUSA-N 2 2 341.459 1.866 20 0 EDADLP Cc1nc(C[NH+]2CCC(C(=O)NCc3[nH+]ccn3C)CC2)cs1 ZINC000264545653 443320971 /nfs/dbraw/zinc/32/09/71/443320971.db2.gz QSHAVSFQPQKRNI-UHFFFAOYSA-N 2 2 333.461 1.713 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)/C=C/C[NH+](C)C)CC2)cc1 ZINC000264618208 443349888 /nfs/dbraw/zinc/34/98/88/443349888.db2.gz KBCBJXKMUCJXBA-AATRIKPKSA-N 2 2 331.460 1.847 20 0 EDADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1nc(=O)[nH][nH]1)CC2 ZINC000282723244 443416707 /nfs/dbraw/zinc/41/67/07/443416707.db2.gz CCHUQFWGFPPANT-NSHDSACASA-N 2 2 334.449 1.041 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1nc(=O)[nH][nH]1)CC2 ZINC000282723244 443416712 /nfs/dbraw/zinc/41/67/12/443416712.db2.gz CCHUQFWGFPPANT-NSHDSACASA-N 2 2 334.449 1.041 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000278776032 443434787 /nfs/dbraw/zinc/43/47/87/443434787.db2.gz ZAZKKLGJKHBAAS-UHFFFAOYSA-N 2 2 344.503 1.277 20 0 EDADLP Cc1ccccc1CN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000278776032 443434791 /nfs/dbraw/zinc/43/47/91/443434791.db2.gz ZAZKKLGJKHBAAS-UHFFFAOYSA-N 2 2 344.503 1.277 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(C)[nH+]1 ZINC000269773393 443435417 /nfs/dbraw/zinc/43/54/17/443435417.db2.gz AJWHQWWHRXARCX-OAHLLOKOSA-N 2 2 332.448 1.874 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(C)[nH+]1 ZINC000269773393 443435422 /nfs/dbraw/zinc/43/54/22/443435422.db2.gz AJWHQWWHRXARCX-OAHLLOKOSA-N 2 2 332.448 1.874 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](C)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264742726 443400712 /nfs/dbraw/zinc/40/07/12/443400712.db2.gz ROEDFJUCLXUGPX-HNNXBMFYSA-N 2 2 348.466 1.547 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000267281400 443404020 /nfs/dbraw/zinc/40/40/20/443404020.db2.gz SFULJGOZZHFPCC-UHFFFAOYSA-N 2 2 329.448 1.019 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cn3ccccc3n2)CC1 ZINC000267281400 443404025 /nfs/dbraw/zinc/40/40/25/443404025.db2.gz SFULJGOZZHFPCC-UHFFFAOYSA-N 2 2 329.448 1.019 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000264949634 443488055 /nfs/dbraw/zinc/48/80/55/443488055.db2.gz JZWPOHRJUXDYHJ-MRXNPFEDSA-N 2 2 347.463 1.011 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)CCC2 ZINC000278815010 443450072 /nfs/dbraw/zinc/45/00/72/443450072.db2.gz SCHBTXYUEUPUKA-HUUCEWRRSA-N 2 2 349.475 1.978 20 0 EDADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)CCC2 ZINC000278815010 443450075 /nfs/dbraw/zinc/45/00/75/443450075.db2.gz SCHBTXYUEUPUKA-HUUCEWRRSA-N 2 2 349.475 1.978 20 0 EDADLP CCc1cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc(C)[nH+]1 ZINC000272819203 443456714 /nfs/dbraw/zinc/45/67/14/443456714.db2.gz DXHQCSWVIVDGAG-UHFFFAOYSA-N 2 2 331.464 1.338 20 0 EDADLP COC[C@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000423340654 319765423 /nfs/dbraw/zinc/76/54/23/319765423.db2.gz BZHKDSWJBCUMBP-SFHVURJKSA-N 2 2 333.432 1.083 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000283106795 443524245 /nfs/dbraw/zinc/52/42/45/443524245.db2.gz XSJZPHSATONNOT-ZACQAIPSSA-N 2 2 343.471 1.881 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000283106795 443524252 /nfs/dbraw/zinc/52/42/52/443524252.db2.gz XSJZPHSATONNOT-ZACQAIPSSA-N 2 2 343.471 1.881 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)s1 ZINC000423748777 319809767 /nfs/dbraw/zinc/80/97/67/319809767.db2.gz BDSKCCAJFJEKSM-RHSMWYFYSA-N 2 2 337.489 1.546 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000272273548 443575426 /nfs/dbraw/zinc/57/54/26/443575426.db2.gz AKCWPYNMWRAAHF-HOCLYGCPSA-N 2 2 327.432 1.960 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000272273548 443575430 /nfs/dbraw/zinc/57/54/30/443575430.db2.gz AKCWPYNMWRAAHF-HOCLYGCPSA-N 2 2 327.432 1.960 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000450211602 320213418 /nfs/dbraw/zinc/21/34/18/320213418.db2.gz AUKNBHHYDGYCKC-WMZOPIPTSA-N 2 2 336.524 1.534 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000450211602 320213420 /nfs/dbraw/zinc/21/34/20/320213420.db2.gz AUKNBHHYDGYCKC-WMZOPIPTSA-N 2 2 336.524 1.534 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000457603740 320330487 /nfs/dbraw/zinc/33/04/87/320330487.db2.gz PYMDHNSGKCAWPS-SJORKVTESA-N 2 2 340.512 1.469 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000457603740 320330488 /nfs/dbraw/zinc/33/04/88/320330488.db2.gz PYMDHNSGKCAWPS-SJORKVTESA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000492771098 320385585 /nfs/dbraw/zinc/38/55/85/320385585.db2.gz OUCVIOXVWXCABG-ZNMIVQPWSA-N 2 2 338.452 1.791 20 0 EDADLP O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000493667128 320397030 /nfs/dbraw/zinc/39/70/30/320397030.db2.gz YKLUAVWSUCJMGF-BYPUDFOVSA-N 2 2 332.354 1.999 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000280217629 443676055 /nfs/dbraw/zinc/67/60/55/443676055.db2.gz KUIKJARGPWIRPZ-UHFFFAOYSA-N 2 2 341.415 1.533 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286347613 443695865 /nfs/dbraw/zinc/69/58/65/443695865.db2.gz IXMKIDVDKUVWGW-GOSISDBHSA-N 2 2 344.503 1.657 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286347613 443695867 /nfs/dbraw/zinc/69/58/67/443695867.db2.gz IXMKIDVDKUVWGW-GOSISDBHSA-N 2 2 344.503 1.657 20 0 EDADLP O=C(Cn1cc[nH+]c1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000514641379 320429900 /nfs/dbraw/zinc/42/99/00/320429900.db2.gz BTVFJIXZHJYSRH-UHFFFAOYSA-N 2 2 328.416 1.156 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](CCCc3c[nH+]cn3C)CC2)cc1 ZINC000516875783 320442616 /nfs/dbraw/zinc/44/26/16/320442616.db2.gz VUGGQZWJSGOYKF-UHFFFAOYSA-N 2 2 342.443 1.819 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000519382248 320465530 /nfs/dbraw/zinc/46/55/30/320465530.db2.gz SDZVFHWXOLQGTP-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC000283873255 443751424 /nfs/dbraw/zinc/75/14/24/443751424.db2.gz GVBDUAZZYVPCEK-QZTJIDSGSA-N 2 2 346.475 1.363 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC000283873255 443751428 /nfs/dbraw/zinc/75/14/28/443751428.db2.gz GVBDUAZZYVPCEK-QZTJIDSGSA-N 2 2 346.475 1.363 20 0 EDADLP Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)CCc2c[nH+]cn2C)cn1 ZINC000298352429 443751815 /nfs/dbraw/zinc/75/18/15/443751815.db2.gz JWBJIODQZONHPO-RDJZCZTQSA-N 2 2 334.443 1.241 20 0 EDADLP Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)CCc2c[nH+]cn2C)cn1 ZINC000298352429 443751819 /nfs/dbraw/zinc/75/18/19/443751819.db2.gz JWBJIODQZONHPO-RDJZCZTQSA-N 2 2 334.443 1.241 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000283887332 443756445 /nfs/dbraw/zinc/75/64/45/443756445.db2.gz HJBVVNARGHLEDT-WMLDXEAASA-N 2 2 345.447 1.882 20 0 EDADLP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[NH+]1CCSCC1 ZINC000288096517 443769854 /nfs/dbraw/zinc/76/98/54/443769854.db2.gz HTULIQPUXVBITI-CJNGLKHVSA-N 2 2 339.480 1.982 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292179689 443781012 /nfs/dbraw/zinc/78/10/12/443781012.db2.gz QMTNPNSXKNIXBJ-FZKQIMNGSA-N 2 2 331.416 1.770 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292179689 443781016 /nfs/dbraw/zinc/78/10/16/443781016.db2.gz QMTNPNSXKNIXBJ-FZKQIMNGSA-N 2 2 331.416 1.770 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292179689 443781021 /nfs/dbraw/zinc/78/10/21/443781021.db2.gz QMTNPNSXKNIXBJ-FZKQIMNGSA-N 2 2 331.416 1.770 20 0 EDADLP 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C[C@H](C(=O)N(C)C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285838029 444124836 /nfs/dbraw/zinc/12/48/36/444124836.db2.gz HMMIBWZPHYUAJR-MJGOQNOKSA-N 2 2 344.503 1.355 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000302649392 444218762 /nfs/dbraw/zinc/21/87/62/444218762.db2.gz JPRACWAXZDAJLK-CQSZACIVSA-N 2 2 328.464 1.898 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3c3cc[nH]n3)cn2)CC1 ZINC000289577904 444175359 /nfs/dbraw/zinc/17/53/59/444175359.db2.gz SYPVQQFWRRSQEP-KRWDZBQOSA-N 2 2 341.463 1.679 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)cn2)CC1 ZINC000289577904 444175362 /nfs/dbraw/zinc/17/53/62/444175362.db2.gz SYPVQQFWRRSQEP-KRWDZBQOSA-N 2 2 341.463 1.679 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000575897802 321533115 /nfs/dbraw/zinc/53/31/15/321533115.db2.gz RJMFFCYGZUJWAE-QZTJIDSGSA-N 2 2 339.443 1.682 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1 ZINC000301983861 444199144 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NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000302131557 444205182 /nfs/dbraw/zinc/20/51/82/444205182.db2.gz BPGOZOBNNWJFEN-UHFFFAOYSA-N 2 2 331.807 1.551 20 0 EDADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000290238484 444258110 /nfs/dbraw/zinc/25/81/10/444258110.db2.gz UMRDSKVDHDENTH-IKLKHMQRSA-N 2 2 348.512 1.920 20 0 EDADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000290238484 444258112 /nfs/dbraw/zinc/25/81/12/444258112.db2.gz UMRDSKVDHDENTH-IKLKHMQRSA-N 2 2 348.512 1.920 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000303108125 444233964 /nfs/dbraw/zinc/23/39/64/444233964.db2.gz HIXVEXRAWYEPER-NSHGMRRFSA-N 2 2 347.503 1.274 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000303108125 444233965 /nfs/dbraw/zinc/23/39/65/444233965.db2.gz HIXVEXRAWYEPER-NSHGMRRFSA-N 2 2 347.503 1.274 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H]1CCCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000303985816 444238609 /nfs/dbraw/zinc/23/86/09/444238609.db2.gz UAVDRYWRUORVBI-KRWDZBQOSA-N 2 2 346.475 1.357 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H]1CCCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000303985816 444238612 /nfs/dbraw/zinc/23/86/12/444238612.db2.gz UAVDRYWRUORVBI-KRWDZBQOSA-N 2 2 346.475 1.357 20 0 EDADLP CCS(=O)(=O)NCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000577258313 321636931 /nfs/dbraw/zinc/63/69/31/321636931.db2.gz VOTDNZPZEFKZJZ-UHFFFAOYSA-N 2 2 340.493 1.338 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000577628485 321669436 /nfs/dbraw/zinc/66/94/36/321669436.db2.gz HMTATMWCJIETNG-WMZOPIPTSA-N 2 2 349.500 1.319 20 0 EDADLP CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000305753295 444277707 /nfs/dbraw/zinc/27/77/07/444277707.db2.gz UNCXZVLLRJXNQD-MRXNPFEDSA-N 2 2 335.448 1.159 20 0 EDADLP CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000305753295 444277710 /nfs/dbraw/zinc/27/77/10/444277710.db2.gz UNCXZVLLRJXNQD-MRXNPFEDSA-N 2 2 335.448 1.159 20 0 EDADLP Cn1ncc(Br)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000312048141 444294449 /nfs/dbraw/zinc/29/44/49/444294449.db2.gz AKPHXNHLUFAEBC-UHFFFAOYSA-N 2 2 331.258 1.512 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+](C)CCN(C)C)c1ccccc1 ZINC000290608843 444301068 /nfs/dbraw/zinc/30/10/68/444301068.db2.gz KCVDTILQVKVDIX-GOSISDBHSA-N 2 2 334.508 1.679 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+](C)CCN(C)C)c1ccccc1 ZINC000290608843 444301073 /nfs/dbraw/zinc/30/10/73/444301073.db2.gz KCVDTILQVKVDIX-GOSISDBHSA-N 2 2 334.508 1.679 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)c1ccccc1 ZINC000290608843 444301075 /nfs/dbraw/zinc/30/10/75/444301075.db2.gz KCVDTILQVKVDIX-GOSISDBHSA-N 2 2 334.508 1.679 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)c1ccccc1 ZINC000290608843 444301078 /nfs/dbraw/zinc/30/10/78/444301078.db2.gz KCVDTILQVKVDIX-GOSISDBHSA-N 2 2 334.508 1.679 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000290608843 444301080 /nfs/dbraw/zinc/30/10/80/444301080.db2.gz KCVDTILQVKVDIX-GOSISDBHSA-N 2 2 334.508 1.679 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297870918 444344505 /nfs/dbraw/zinc/34/45/05/444344505.db2.gz MPSRPYGUIVNSKE-AWEZNQCLSA-N 2 2 331.420 1.365 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000578545099 321793059 /nfs/dbraw/zinc/79/30/59/321793059.db2.gz FLGFGKUQPYQBMN-MRXNPFEDSA-N 2 2 346.431 1.118 20 0 EDADLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1 ZINC000321673088 444336858 /nfs/dbraw/zinc/33/68/58/444336858.db2.gz IARIGHJSLFVUOY-UHFFFAOYSA-N 2 2 327.375 1.733 20 0 EDADLP CCCCc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000327112278 444379936 /nfs/dbraw/zinc/37/99/36/444379936.db2.gz GUGFXSXRNGGJGO-CABCVRRESA-N 2 2 349.479 1.492 20 0 EDADLP CCCCc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000327112278 444379939 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BDPWJZUJIQKHMW-LSDHHAIUSA-N 2 2 331.464 1.927 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000343754194 444566494 /nfs/dbraw/zinc/56/64/94/444566494.db2.gz BYWHOBDLZMKNED-QAPCUYQASA-N 2 2 347.503 1.992 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000343754194 444566497 /nfs/dbraw/zinc/56/64/97/444566497.db2.gz BYWHOBDLZMKNED-QAPCUYQASA-N 2 2 347.503 1.992 20 0 EDADLP C[C@H]1CN(Cc2nnc3n2CCCCC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343711095 444537437 /nfs/dbraw/zinc/53/74/37/444537437.db2.gz MIEVZXBKHUOLHW-INIZCTEOSA-N 2 2 346.523 1.605 20 0 EDADLP C[C@H]1CN(Cc2nnc3n2CCCCC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343711095 444537441 /nfs/dbraw/zinc/53/74/41/444537441.db2.gz MIEVZXBKHUOLHW-INIZCTEOSA-N 2 2 346.523 1.605 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000332761933 444542678 /nfs/dbraw/zinc/54/26/78/444542678.db2.gz PLHAHCHSJDGQGH-CZUORRHYSA-N 2 2 337.493 1.356 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1C ZINC000332955038 444609563 /nfs/dbraw/zinc/60/95/63/444609563.db2.gz IDKZHUXVBKYXPF-PMPSAXMXSA-N 2 2 346.479 1.045 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN1C ZINC000332955038 444609568 /nfs/dbraw/zinc/60/95/68/444609568.db2.gz IDKZHUXVBKYXPF-PMPSAXMXSA-N 2 2 346.479 1.045 20 0 EDADLP COC(=O)c1occc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000343909071 444661976 /nfs/dbraw/zinc/66/19/76/444661976.db2.gz JWXGHBXMSFLEOM-CQSZACIVSA-N 2 2 337.420 1.099 20 0 EDADLP COC(=O)c1occc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000343909071 444661982 /nfs/dbraw/zinc/66/19/82/444661982.db2.gz JWXGHBXMSFLEOM-CQSZACIVSA-N 2 2 337.420 1.099 20 0 EDADLP C[NH+]1CCN(C(=O)Cc2noc([C@H]3CCC[N@@H+]3C3CCCC3)n2)CC1 ZINC000333173589 444644966 /nfs/dbraw/zinc/64/49/66/444644966.db2.gz KWCWMFKUEXBSLP-OAHLLOKOSA-N 2 2 347.463 1.466 20 0 EDADLP C[NH+]1CCN(C(=O)Cc2noc([C@H]3CCC[N@H+]3C3CCCC3)n2)CC1 ZINC000333173589 444644970 /nfs/dbraw/zinc/64/49/70/444644970.db2.gz KWCWMFKUEXBSLP-OAHLLOKOSA-N 2 2 347.463 1.466 20 0 EDADLP O=S1(=O)NC(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)=Nc2ccccc21 ZINC000329763752 444708012 /nfs/dbraw/zinc/70/80/12/444708012.db2.gz UXNIAHKGNGIWDH-UHFFFAOYSA-N 2 2 345.428 1.611 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333883301 444708062 /nfs/dbraw/zinc/70/80/62/444708062.db2.gz WQLIYWOCNLWUJD-OAHLLOKOSA-N 2 2 331.464 1.860 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)C[C@H]12 ZINC000333926798 444720576 /nfs/dbraw/zinc/72/05/76/444720576.db2.gz VUGGWEOIDVXXJP-IXDOHACOSA-N 2 2 343.475 1.951 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333928789 444721054 /nfs/dbraw/zinc/72/10/54/444721054.db2.gz XTDLVDNOGADCPR-GJZGRUSLSA-N 2 2 327.432 1.596 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)Nc1ccccc1 ZINC000344125542 444795773 /nfs/dbraw/zinc/79/57/73/444795773.db2.gz HZGGONJVDVSSOC-UHFFFAOYSA-N 2 2 332.492 1.975 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)Nc1ccccc1 ZINC000344125542 444795777 /nfs/dbraw/zinc/79/57/77/444795777.db2.gz HZGGONJVDVSSOC-UHFFFAOYSA-N 2 2 332.492 1.975 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000342699135 444821544 /nfs/dbraw/zinc/82/15/44/444821544.db2.gz VBCBJEKETHKELE-JQHSSLGASA-N 2 2 331.460 1.564 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342690278 444815844 /nfs/dbraw/zinc/81/58/44/444815844.db2.gz XDQGDNBKICKPRO-RKYPPNDESA-N 2 2 337.508 1.719 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000342690278 444815847 /nfs/dbraw/zinc/81/58/47/444815847.db2.gz XDQGDNBKICKPRO-RKYPPNDESA-N 2 2 337.508 1.719 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000336875155 444820379 /nfs/dbraw/zinc/82/03/79/444820379.db2.gz BGOSGVXSJPOCDF-QGZVFWFLSA-N 2 2 337.489 1.465 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000336875155 444820383 /nfs/dbraw/zinc/82/03/83/444820383.db2.gz BGOSGVXSJPOCDF-QGZVFWFLSA-N 2 2 337.489 1.465 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000336875155 444820389 /nfs/dbraw/zinc/82/03/89/444820389.db2.gz BGOSGVXSJPOCDF-QGZVFWFLSA-N 2 2 337.489 1.465 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000336875155 444820395 /nfs/dbraw/zinc/82/03/95/444820395.db2.gz BGOSGVXSJPOCDF-QGZVFWFLSA-N 2 2 337.489 1.465 20 0 EDADLP CN1CC[C@H]([NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)C1=O ZINC000338637681 444786754 /nfs/dbraw/zinc/78/67/54/444786754.db2.gz VTOMIDUDPFJUOW-UONOGXRCSA-N 2 2 334.489 1.660 20 0 EDADLP CN1CC[C@H]([NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)C1=O ZINC000338637681 444786757 /nfs/dbraw/zinc/78/67/57/444786757.db2.gz VTOMIDUDPFJUOW-UONOGXRCSA-N 2 2 334.489 1.660 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[NH2+]CC1(F)F ZINC000342700693 444822392 /nfs/dbraw/zinc/82/23/92/444822392.db2.gz YAWDNQVLSKZKHR-CQSZACIVSA-N 2 2 338.402 1.933 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000342762558 444852551 /nfs/dbraw/zinc/85/25/51/444852551.db2.gz YMRIHFAQOIQUOL-CHWSQXEVSA-N 2 2 326.391 1.854 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000342816167 444877752 /nfs/dbraw/zinc/87/77/52/444877752.db2.gz UCKDFENGTMEFIG-SUMDDJOVSA-N 2 2 327.472 1.902 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000342816167 444877755 /nfs/dbraw/zinc/87/77/55/444877755.db2.gz UCKDFENGTMEFIG-SUMDDJOVSA-N 2 2 327.472 1.902 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341576071 444903102 /nfs/dbraw/zinc/90/31/02/444903102.db2.gz YMHRDYLZLOFSHP-BZUAXINKSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341576071 444903106 /nfs/dbraw/zinc/90/31/06/444903106.db2.gz YMHRDYLZLOFSHP-BZUAXINKSA-N 2 2 326.485 1.077 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)C[C@H]21 ZINC000341535553 444880188 /nfs/dbraw/zinc/88/01/88/444880188.db2.gz YDONTEFVFCUJPX-BHUNQDJPSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)C[C@H]21 ZINC000341535553 444880194 /nfs/dbraw/zinc/88/01/94/444880194.db2.gz YDONTEFVFCUJPX-BHUNQDJPSA-N 2 2 336.480 1.118 20 0 EDADLP CC(C)C[C@@H](CNC(=O)N(C)Cc1[nH+]ccn1C)[NH+]1CCOCC1 ZINC000341686841 444947751 /nfs/dbraw/zinc/94/77/51/444947751.db2.gz GPHLCCXLLVRJDS-HNNXBMFYSA-N 2 2 337.468 1.308 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000330354973 444950298 /nfs/dbraw/zinc/95/02/98/444950298.db2.gz QCBQYYGMWFZOGP-ARFHVFGLSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000330354973 444950300 /nfs/dbraw/zinc/95/03/00/444950300.db2.gz QCBQYYGMWFZOGP-ARFHVFGLSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000330354973 444950303 /nfs/dbraw/zinc/95/03/03/444950303.db2.gz QCBQYYGMWFZOGP-ARFHVFGLSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000330354973 444950305 /nfs/dbraw/zinc/95/03/05/444950305.db2.gz QCBQYYGMWFZOGP-ARFHVFGLSA-N 2 2 331.464 1.358 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000344417957 444953677 /nfs/dbraw/zinc/95/36/77/444953677.db2.gz MOIAVARCUJYAHC-RTBURBONSA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000344417957 444953682 /nfs/dbraw/zinc/95/36/82/444953682.db2.gz MOIAVARCUJYAHC-RTBURBONSA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000344417957 444953686 /nfs/dbraw/zinc/95/36/86/444953686.db2.gz MOIAVARCUJYAHC-RTBURBONSA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000344417957 444953690 /nfs/dbraw/zinc/95/36/90/444953690.db2.gz MOIAVARCUJYAHC-RTBURBONSA-N 2 2 345.487 1.734 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000342946645 444958194 /nfs/dbraw/zinc/95/81/94/444958194.db2.gz MMGZAARNDKACLE-MRXNPFEDSA-N 2 2 336.505 1.949 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000330308315 444931081 /nfs/dbraw/zinc/93/10/81/444931081.db2.gz MGCZBHNAAQKHHS-MRXNPFEDSA-N 2 2 345.491 1.722 20 0 EDADLP C[N@H+](C[C@@](C)(O)C(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000337204044 444985160 /nfs/dbraw/zinc/98/51/60/444985160.db2.gz IJNUSQLUTQOTRA-HZPDHXFCSA-N 2 2 346.393 1.869 20 0 EDADLP C[N@@H+](C[C@@](C)(O)C(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000337204044 444985164 /nfs/dbraw/zinc/98/51/64/444985164.db2.gz IJNUSQLUTQOTRA-HZPDHXFCSA-N 2 2 346.393 1.869 20 0 EDADLP C[NH+](C[C@@](C)(O)C(F)(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000337204044 444985166 /nfs/dbraw/zinc/98/51/66/444985166.db2.gz IJNUSQLUTQOTRA-HZPDHXFCSA-N 2 2 346.393 1.869 20 0 EDADLP C[NH+](C[C@@](C)(O)C(F)(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000337204044 444985170 /nfs/dbraw/zinc/98/51/70/444985170.db2.gz IJNUSQLUTQOTRA-HZPDHXFCSA-N 2 2 346.393 1.869 20 0 EDADLP CC[C@H](C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(=O)OC ZINC000337239749 444999271 /nfs/dbraw/zinc/99/92/71/444999271.db2.gz MWHHIPRSHNVPAA-ZDUSSCGKSA-N 2 2 325.453 1.003 20 0 EDADLP CC[C@H](C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(=O)OC ZINC000337239749 444999275 /nfs/dbraw/zinc/99/92/75/444999275.db2.gz MWHHIPRSHNVPAA-ZDUSSCGKSA-N 2 2 325.453 1.003 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000343071768 445043215 /nfs/dbraw/zinc/04/32/15/445043215.db2.gz NBVMNCFOMGAJJV-UXLLHSPISA-N 2 2 335.496 1.507 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000343071768 445043216 /nfs/dbraw/zinc/04/32/16/445043216.db2.gz NBVMNCFOMGAJJV-UXLLHSPISA-N 2 2 335.496 1.507 20 0 EDADLP CCc1nocc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000339218406 445095517 /nfs/dbraw/zinc/09/55/17/445095517.db2.gz QWWXSRDHVGKLMP-UHFFFAOYSA-N 3 2 329.448 1.934 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339243003 445109731 /nfs/dbraw/zinc/10/97/31/445109731.db2.gz SXYVEBKDXHKWBI-ZWKOTPCHSA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339243003 445109733 /nfs/dbraw/zinc/10/97/33/445109733.db2.gz SXYVEBKDXHKWBI-ZWKOTPCHSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)[NH+]1CCOCC1 ZINC000337542004 445128254 /nfs/dbraw/zinc/12/82/54/445128254.db2.gz LKOOYESRSPYHIG-UHFFFAOYSA-N 2 2 349.479 1.172 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000343251232 445161628 /nfs/dbraw/zinc/16/16/28/445161628.db2.gz MDHCTNAXKAOSIL-GUDVDZBRSA-N 3 2 338.540 1.151 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000343251232 445161633 /nfs/dbraw/zinc/16/16/33/445161633.db2.gz MDHCTNAXKAOSIL-GUDVDZBRSA-N 3 2 338.540 1.151 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343270519 445170985 /nfs/dbraw/zinc/17/09/85/445170985.db2.gz MGOJYUSIGCKKBS-KRWDZBQOSA-N 2 2 348.491 1.620 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000337618648 445171768 /nfs/dbraw/zinc/17/17/68/445171768.db2.gz CSMVFVPUCDNRLT-UHFFFAOYSA-N 2 2 325.372 2.239 20 0 EDADLP Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000337618648 445171770 /nfs/dbraw/zinc/17/17/70/445171770.db2.gz CSMVFVPUCDNRLT-UHFFFAOYSA-N 2 2 325.372 2.239 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C1 ZINC000345331420 445181489 /nfs/dbraw/zinc/18/14/89/445181489.db2.gz VSSCDSQAJCBDKH-YUFWVBKYSA-N 2 2 328.460 1.816 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)C1 ZINC000345331420 445181491 /nfs/dbraw/zinc/18/14/91/445181491.db2.gz VSSCDSQAJCBDKH-YUFWVBKYSA-N 2 2 328.460 1.816 20 0 EDADLP O[C@@H](CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(F)(F)F ZINC000337600609 445160257 /nfs/dbraw/zinc/16/02/57/445160257.db2.gz JCPOIXRHGNLUIU-NSHDSACASA-N 2 2 338.293 1.936 20 0 EDADLP CC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCOCC1 ZINC000343392227 445214803 /nfs/dbraw/zinc/21/48/03/445214803.db2.gz WGEZMKCNWFHGHO-INIZCTEOSA-N 2 2 341.496 1.008 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CC[NH2+]CC1(F)F ZINC000343413325 445218073 /nfs/dbraw/zinc/21/80/73/445218073.db2.gz HVXKUKTWZLCZSX-CQSZACIVSA-N 2 2 345.434 1.383 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)C[C@H](O)C(F)(F)F)CCC[NH+]1C ZINC000346932170 445228324 /nfs/dbraw/zinc/22/83/24/445228324.db2.gz PXDOEOBYRMTDLG-FPMFFAJLSA-N 2 2 334.386 1.658 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)C[C@H](O)C(F)(F)F)CCC[N@@H+]1C ZINC000346932170 445228325 /nfs/dbraw/zinc/22/83/25/445228325.db2.gz PXDOEOBYRMTDLG-FPMFFAJLSA-N 2 2 334.386 1.658 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)C[C@H](O)C(F)(F)F)CCC[N@H+]1C ZINC000346932170 445228326 /nfs/dbraw/zinc/22/83/26/445228326.db2.gz PXDOEOBYRMTDLG-FPMFFAJLSA-N 2 2 334.386 1.658 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CCC(=O)N1C ZINC000343457084 445226527 /nfs/dbraw/zinc/22/65/27/445226527.db2.gz HIJJCBCXUUJJIG-KSSFIOAISA-N 2 2 338.415 1.520 20 0 EDADLP CCCCNC(=O)C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348098640 445266862 /nfs/dbraw/zinc/26/68/62/445266862.db2.gz FEOVUUORLPKGNJ-HUUCEWRRSA-N 2 2 339.459 1.181 20 0 EDADLP CCCCNC(=O)C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348098640 445266864 /nfs/dbraw/zinc/26/68/64/445266864.db2.gz FEOVUUORLPKGNJ-HUUCEWRRSA-N 2 2 339.459 1.181 20 0 EDADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccn(C)n3)CC2)C[C@@H](C)O1 ZINC000343565825 445245222 /nfs/dbraw/zinc/24/52/22/445245222.db2.gz RFDPKWYSBKIPFH-HZPDHXFCSA-N 2 2 336.480 1.510 20 0 EDADLP CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348343193 445262543 /nfs/dbraw/zinc/26/25/43/445262543.db2.gz IJTIZHTZZZUVOM-QWHCGFSZSA-N 2 2 343.431 1.718 20 0 EDADLP CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348343193 445262546 /nfs/dbraw/zinc/26/25/46/445262546.db2.gz IJTIZHTZZZUVOM-QWHCGFSZSA-N 2 2 343.431 1.718 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)CC1CCC(C)CC1 ZINC000343612283 445263449 /nfs/dbraw/zinc/26/34/49/445263449.db2.gz GQQMJDYKLRVMMM-UHFFFAOYSA-N 2 2 325.497 1.535 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)CC1CCC(C)CC1 ZINC000343612283 445263452 /nfs/dbraw/zinc/26/34/52/445263452.db2.gz GQQMJDYKLRVMMM-UHFFFAOYSA-N 2 2 325.497 1.535 20 0 EDADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(F)cn1 ZINC000348107916 445271703 /nfs/dbraw/zinc/27/17/03/445271703.db2.gz JPJQGFCDMJKVFP-QWHCGFSZSA-N 2 2 338.427 1.467 20 0 EDADLP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(F)cn1 ZINC000348107916 445271705 /nfs/dbraw/zinc/27/17/05/445271705.db2.gz JPJQGFCDMJKVFP-QWHCGFSZSA-N 2 2 338.427 1.467 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)c[nH+]1 ZINC000343661428 445288859 /nfs/dbraw/zinc/28/88/59/445288859.db2.gz QKQSTAWBYKVBIY-QGZVFWFLSA-N 2 2 341.459 1.675 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000348231396 445323476 /nfs/dbraw/zinc/32/34/76/445323476.db2.gz NRIXBYGKGSAURB-HOTGVXAUSA-N 2 2 325.478 1.773 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000351810224 445329338 /nfs/dbraw/zinc/32/93/38/445329338.db2.gz KTAGKBHIJIZHPF-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000351810224 445329340 /nfs/dbraw/zinc/32/93/40/445329340.db2.gz KTAGKBHIJIZHPF-HNNXBMFYSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000351861000 445346071 /nfs/dbraw/zinc/34/60/71/445346071.db2.gz KIFKLODYPSOOOK-CVEARBPZSA-N 2 2 346.475 1.336 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000351861000 445346073 /nfs/dbraw/zinc/34/60/73/445346073.db2.gz KIFKLODYPSOOOK-CVEARBPZSA-N 2 2 346.475 1.336 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000362384760 445355458 /nfs/dbraw/zinc/35/54/58/445355458.db2.gz LBANPERUWQHQEV-RCCFBDPRSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000362384760 445355463 /nfs/dbraw/zinc/35/54/63/445355463.db2.gz LBANPERUWQHQEV-RCCFBDPRSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000351800474 445325844 /nfs/dbraw/zinc/32/58/44/445325844.db2.gz SVEWQIALBXYOML-SJLPKXTDSA-N 2 2 348.491 1.618 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnn(CC(F)F)c1 ZINC000351807054 445328058 /nfs/dbraw/zinc/32/80/58/445328058.db2.gz GQMRELZIQIPCKR-ILXRZTDVSA-N 2 2 328.407 1.832 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnn(CC(F)F)c1 ZINC000351807054 445328060 /nfs/dbraw/zinc/32/80/60/445328060.db2.gz GQMRELZIQIPCKR-ILXRZTDVSA-N 2 2 328.407 1.832 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000351808572 445328540 /nfs/dbraw/zinc/32/85/40/445328540.db2.gz GVMVFHUAGOCMMY-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000351808572 445328543 /nfs/dbraw/zinc/32/85/43/445328543.db2.gz GVMVFHUAGOCMMY-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP CN(CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000362483901 445406321 /nfs/dbraw/zinc/40/63/21/445406321.db2.gz FHHYWBOODCKTQZ-QGZVFWFLSA-N 2 2 336.524 1.489 20 0 EDADLP CN(CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000362483901 445406324 /nfs/dbraw/zinc/40/63/24/445406324.db2.gz FHHYWBOODCKTQZ-QGZVFWFLSA-N 2 2 336.524 1.489 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(OC(F)F)cc1 ZINC000357081981 445415314 /nfs/dbraw/zinc/41/53/14/445415314.db2.gz OBOUJDIYOOLKOZ-UONOGXRCSA-N 2 2 339.386 1.446 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(OC(F)F)cc1 ZINC000357081981 445415316 /nfs/dbraw/zinc/41/53/16/445415316.db2.gz OBOUJDIYOOLKOZ-UONOGXRCSA-N 2 2 339.386 1.446 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357082359 445415394 /nfs/dbraw/zinc/41/53/94/445415394.db2.gz NZLFIZSEEIUGEO-JKSUJKDBSA-N 2 2 329.444 1.516 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357082359 445415397 /nfs/dbraw/zinc/41/53/97/445415397.db2.gz NZLFIZSEEIUGEO-JKSUJKDBSA-N 2 2 329.444 1.516 20 0 EDADLP NC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000357083861 445416121 /nfs/dbraw/zinc/41/61/21/445416121.db2.gz QNACVDXPJLSMAA-HUUCEWRRSA-N 2 2 342.468 1.950 20 0 EDADLP NC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cs2)cc1 ZINC000357083861 445416125 /nfs/dbraw/zinc/41/61/25/445416125.db2.gz QNACVDXPJLSMAA-HUUCEWRRSA-N 2 2 342.468 1.950 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000348854830 445416483 /nfs/dbraw/zinc/41/64/83/445416483.db2.gz DGOZDVPBBYRZPZ-INIZCTEOSA-N 2 2 333.476 1.979 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H]1c1ccccc1 ZINC000348861685 445420330 /nfs/dbraw/zinc/42/03/30/445420330.db2.gz QTJSUTSGLWNGMU-PKOBYXMFSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H]1c1ccccc1 ZINC000348861685 445420334 /nfs/dbraw/zinc/42/03/34/445420334.db2.gz QTJSUTSGLWNGMU-PKOBYXMFSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)Cc2[nH+]c[nH]c2C)[C@H]1c1ccccc1 ZINC000348861685 445420337 /nfs/dbraw/zinc/42/03/37/445420337.db2.gz QTJSUTSGLWNGMU-PKOBYXMFSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)Cc2[nH+]c[nH]c2C)[C@H]1c1ccccc1 ZINC000348861685 445420340 /nfs/dbraw/zinc/42/03/40/445420340.db2.gz QTJSUTSGLWNGMU-PKOBYXMFSA-N 2 2 342.443 1.839 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000357020025 445379216 /nfs/dbraw/zinc/37/92/16/445379216.db2.gz BIZSIGMKDJFMAG-YJBOKZPZSA-N 2 2 345.466 1.874 20 0 EDADLP COc1cc(C)nc(C[NH2+]C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1 ZINC000354874314 445430818 /nfs/dbraw/zinc/43/08/18/445430818.db2.gz UZFXVAFNTOQGDU-GOEBONIOSA-N 2 2 347.438 1.834 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000362547374 445433380 /nfs/dbraw/zinc/43/33/80/445433380.db2.gz IQGCNDOLPWYYFH-NVXWUHKLSA-N 2 2 326.444 1.788 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000362547374 445433385 /nfs/dbraw/zinc/43/33/85/445433385.db2.gz IQGCNDOLPWYYFH-NVXWUHKLSA-N 2 2 326.444 1.788 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CCCN(c3ccnn3C)C2=O)c[nH+]1 ZINC000355139953 445446300 /nfs/dbraw/zinc/44/63/00/445446300.db2.gz WVWVTHVLCGHOJK-INIZCTEOSA-N 2 2 327.432 1.841 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCOC2C[NH2+]C2)C[C@H](C)O1 ZINC000348986118 445465642 /nfs/dbraw/zinc/46/56/42/445465642.db2.gz BEQPCUMORJATMZ-GJZGRUSLSA-N 2 2 347.459 1.613 20 0 EDADLP CCC[C@H]1CN(S(=O)(=O)CC[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000352093390 445487941 /nfs/dbraw/zinc/48/79/41/445487941.db2.gz PMFLCAMITLEFCL-INIZCTEOSA-N 2 2 349.541 1.091 20 0 EDADLP CCC[C@H]1CN(S(=O)(=O)CC[NH+](CC)CC)CC[N@H+]1CCOC ZINC000352093390 445487944 /nfs/dbraw/zinc/48/79/44/445487944.db2.gz PMFLCAMITLEFCL-INIZCTEOSA-N 2 2 349.541 1.091 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000362673536 445492238 /nfs/dbraw/zinc/49/22/38/445492238.db2.gz ORXIUMGWCUQSPW-AWEZNQCLSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000362673536 445492241 /nfs/dbraw/zinc/49/22/41/445492241.db2.gz ORXIUMGWCUQSPW-AWEZNQCLSA-N 2 2 325.815 1.875 20 0 EDADLP CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000362690868 445502229 /nfs/dbraw/zinc/50/22/29/445502229.db2.gz GYUSIYVXAMNCSW-MRXNPFEDSA-N 2 2 347.459 1.490 20 0 EDADLP CCOc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000362690868 445502234 /nfs/dbraw/zinc/50/22/34/445502234.db2.gz GYUSIYVXAMNCSW-MRXNPFEDSA-N 2 2 347.459 1.490 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCCC[NH+]1CCOCC1)CCC2 ZINC000362788399 445550243 /nfs/dbraw/zinc/55/02/43/445550243.db2.gz PYHZCSYEMPISFS-OAHLLOKOSA-N 2 2 335.452 1.090 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1C ZINC000352783430 445554991 /nfs/dbraw/zinc/55/49/91/445554991.db2.gz YDSPVWGEPDMUGG-CVEARBPZSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)[C@@H](C)C[N@H+]1C ZINC000352783430 445554996 /nfs/dbraw/zinc/55/49/96/445554996.db2.gz YDSPVWGEPDMUGG-CVEARBPZSA-N 2 2 331.460 1.683 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000349332962 445565779 /nfs/dbraw/zinc/56/57/79/445565779.db2.gz PMUDXMLPSJKKEH-UHFFFAOYSA-N 3 2 325.526 1.274 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000349332962 445565784 /nfs/dbraw/zinc/56/57/84/445565784.db2.gz PMUDXMLPSJKKEH-UHFFFAOYSA-N 3 2 325.526 1.274 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000360103916 445568623 /nfs/dbraw/zinc/56/86/23/445568623.db2.gz JTBBSKBOYSZCGY-UHFFFAOYSA-N 2 2 342.528 1.861 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000360103916 445568625 /nfs/dbraw/zinc/56/86/25/445568625.db2.gz JTBBSKBOYSZCGY-UHFFFAOYSA-N 2 2 342.528 1.861 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000357599548 445569838 /nfs/dbraw/zinc/56/98/38/445569838.db2.gz NERWBAFVMCMPNY-FUHWJXTLSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000357599548 445569840 /nfs/dbraw/zinc/56/98/40/445569840.db2.gz NERWBAFVMCMPNY-FUHWJXTLSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000357599548 445569843 /nfs/dbraw/zinc/56/98/43/445569843.db2.gz NERWBAFVMCMPNY-FUHWJXTLSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000357599548 445569847 /nfs/dbraw/zinc/56/98/47/445569847.db2.gz NERWBAFVMCMPNY-FUHWJXTLSA-N 2 2 337.508 1.866 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000353314191 445588162 /nfs/dbraw/zinc/58/81/62/445588162.db2.gz LLXFYZWRZMDMLZ-MRXNPFEDSA-N 2 2 344.459 1.650 20 0 EDADLP Cn1c2ccc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)cc2oc1=O ZINC000353502661 445632914 /nfs/dbraw/zinc/63/29/14/445632914.db2.gz GASAJOXLSFXNJB-UHFFFAOYSA-N 2 2 335.367 2.383 20 0 EDADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000353540927 445648885 /nfs/dbraw/zinc/64/88/85/445648885.db2.gz HVEJYRBWEGRIAD-GJZGRUSLSA-N 2 2 341.496 1.639 20 0 EDADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000353540927 445648888 /nfs/dbraw/zinc/64/88/88/445648888.db2.gz HVEJYRBWEGRIAD-GJZGRUSLSA-N 2 2 341.496 1.639 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000349714279 445653264 /nfs/dbraw/zinc/65/32/64/445653264.db2.gz MDFWIPCMSWRPCQ-INIZCTEOSA-N 2 2 328.501 1.471 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000349714279 445653270 /nfs/dbraw/zinc/65/32/70/445653270.db2.gz MDFWIPCMSWRPCQ-INIZCTEOSA-N 2 2 328.501 1.471 20 0 EDADLP CN(C)S(=O)(=O)CCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353543992 445650497 /nfs/dbraw/zinc/65/04/97/445650497.db2.gz OVFUXEHVMBHWNQ-UHFFFAOYSA-N 2 2 331.482 1.315 20 0 EDADLP CN(C)S(=O)(=O)CCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353543992 445650501 /nfs/dbraw/zinc/65/05/01/445650501.db2.gz OVFUXEHVMBHWNQ-UHFFFAOYSA-N 2 2 331.482 1.315 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353543992 445650506 /nfs/dbraw/zinc/65/05/06/445650506.db2.gz OVFUXEHVMBHWNQ-UHFFFAOYSA-N 2 2 331.482 1.315 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353543992 445650509 /nfs/dbraw/zinc/65/05/09/445650509.db2.gz OVFUXEHVMBHWNQ-UHFFFAOYSA-N 2 2 331.482 1.315 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000349844227 445696246 /nfs/dbraw/zinc/69/62/46/445696246.db2.gz CBLNENVGSHVBDK-NVXWUHKLSA-N 2 2 334.464 1.309 20 0 EDADLP COc1c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c(C)nn1C ZINC000363176690 445708954 /nfs/dbraw/zinc/70/89/54/445708954.db2.gz LNKJLCYJFLSFAD-PBHICJAKSA-N 2 2 346.479 1.643 20 0 EDADLP COc1c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c(C)nn1C ZINC000363176690 445708958 /nfs/dbraw/zinc/70/89/58/445708958.db2.gz LNKJLCYJFLSFAD-PBHICJAKSA-N 2 2 346.479 1.643 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000363339098 445772080 /nfs/dbraw/zinc/77/20/80/445772080.db2.gz QRBRWBAZXJOVPL-KRWDZBQOSA-N 2 2 343.471 1.934 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000363339098 445772083 /nfs/dbraw/zinc/77/20/83/445772083.db2.gz QRBRWBAZXJOVPL-KRWDZBQOSA-N 2 2 343.471 1.934 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363341853 445773081 /nfs/dbraw/zinc/77/30/81/445773081.db2.gz SBQBDNMBSMOLPV-KRWDZBQOSA-N 2 2 346.475 1.527 20 0 EDADLP COC(=O)c1coc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000350072201 445761850 /nfs/dbraw/zinc/76/18/50/445761850.db2.gz IIDPGDAHUCKLJI-IBGZPJMESA-N 2 2 344.411 1.793 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCCn3cc[nH+]c32)C1 ZINC000363317006 445764147 /nfs/dbraw/zinc/76/41/47/445764147.db2.gz SIQDSKNOTCQXCA-CVEARBPZSA-N 2 2 334.464 1.720 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000363348377 445775327 /nfs/dbraw/zinc/77/53/27/445775327.db2.gz GCRYBSSTIGMQNY-QAPCUYQASA-N 2 2 330.476 1.812 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000363348377 445775330 /nfs/dbraw/zinc/77/53/30/445775330.db2.gz GCRYBSSTIGMQNY-QAPCUYQASA-N 2 2 330.476 1.812 20 0 EDADLP CN(Cc1ncc(Cl)n1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363479660 445822150 /nfs/dbraw/zinc/82/21/50/445822150.db2.gz JARNDMPRLXIJOE-CQSZACIVSA-N 2 2 325.888 1.674 20 0 EDADLP CN(Cc1ncc(Cl)n1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363479660 445822152 /nfs/dbraw/zinc/82/21/52/445822152.db2.gz JARNDMPRLXIJOE-CQSZACIVSA-N 2 2 325.888 1.674 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000350180558 445787048 /nfs/dbraw/zinc/78/70/48/445787048.db2.gz GOFZMPHEMAWSHU-AWEZNQCLSA-N 2 2 340.493 1.823 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000350180558 445787053 /nfs/dbraw/zinc/78/70/53/445787053.db2.gz GOFZMPHEMAWSHU-AWEZNQCLSA-N 2 2 340.493 1.823 20 0 EDADLP COCC[C@H]1COCC[NH+]1CC(C)C[N@H+]1CCOC[C@@H]1CCOC ZINC000361526551 445803664 /nfs/dbraw/zinc/80/36/64/445803664.db2.gz BEVIKKYUCJUUQJ-ROUUACIJSA-N 2 2 344.496 1.097 20 0 EDADLP c1c[nH+]c(CN2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)[nH]1 ZINC000353915884 445812071 /nfs/dbraw/zinc/81/20/71/445812071.db2.gz NWJWQMAFDWKDCL-UHFFFAOYSA-N 2 2 341.459 1.564 20 0 EDADLP Cc1[nH+]ccc(NCC[NH+]2CCN(c3ncccn3)CC2)c1Cl ZINC000350341373 445814287 /nfs/dbraw/zinc/81/42/87/445814287.db2.gz ILXWRKSOKSHNHX-UHFFFAOYSA-N 2 2 332.839 1.489 20 0 EDADLP Cc1c(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000363813169 445877336 /nfs/dbraw/zinc/87/73/36/445877336.db2.gz FOCQVHDZBUHKCJ-QGZVFWFLSA-N 2 2 348.495 1.038 20 0 EDADLP Cc1c(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C ZINC000363813169 445877339 /nfs/dbraw/zinc/87/73/39/445877339.db2.gz FOCQVHDZBUHKCJ-QGZVFWFLSA-N 2 2 348.495 1.038 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000363505972 445835577 /nfs/dbraw/zinc/83/55/77/445835577.db2.gz DERFKPQGLNNQSX-JKSUJKDBSA-N 2 2 334.464 1.627 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000363505972 445835581 /nfs/dbraw/zinc/83/55/81/445835581.db2.gz DERFKPQGLNNQSX-JKSUJKDBSA-N 2 2 334.464 1.627 20 0 EDADLP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1[nH]cc[nH+]1 ZINC000356566616 445862215 /nfs/dbraw/zinc/86/22/15/445862215.db2.gz FMTPIAMKNMHCMB-IBGZPJMESA-N 2 2 342.443 1.438 20 0 EDADLP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CCc1[nH]cc[nH+]1 ZINC000356566616 445862217 /nfs/dbraw/zinc/86/22/17/445862217.db2.gz FMTPIAMKNMHCMB-IBGZPJMESA-N 2 2 342.443 1.438 20 0 EDADLP Cc1cc(N2CCC([N@H+](C)CCO)CC2)nc(-c2ccncc2)[nH+]1 ZINC000350736201 445892867 /nfs/dbraw/zinc/89/28/67/445892867.db2.gz IRTUGVYSVMITKO-UHFFFAOYSA-N 2 2 327.432 1.740 20 0 EDADLP Cc1cc(N2CCC([N@@H+](C)CCO)CC2)nc(-c2ccncc2)[nH+]1 ZINC000350736201 445892869 /nfs/dbraw/zinc/89/28/69/445892869.db2.gz IRTUGVYSVMITKO-UHFFFAOYSA-N 2 2 327.432 1.740 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)[C@@]2(CCOC)CC[NH2+]C2)c[nH+]1 ZINC000361722995 445899320 /nfs/dbraw/zinc/89/93/20/445899320.db2.gz IFQDMEUFBSGUCB-GOSISDBHSA-N 2 2 334.464 1.560 20 0 EDADLP CO[C@@H]1CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@@H](C[NH3+])C1 ZINC000359041563 445903942 /nfs/dbraw/zinc/90/39/42/445903942.db2.gz KDDSSSWRIMHWGA-HUUCEWRRSA-N 2 2 334.420 1.163 20 0 EDADLP CO[C@@H]1CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@@H](C[NH3+])C1 ZINC000359041563 445903949 /nfs/dbraw/zinc/90/39/49/445903949.db2.gz KDDSSSWRIMHWGA-HUUCEWRRSA-N 2 2 334.420 1.163 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000356652393 445916226 /nfs/dbraw/zinc/91/62/26/445916226.db2.gz NFJQYNCXBFTZAD-HUUCEWRRSA-N 2 2 348.495 1.258 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000356652393 445916234 /nfs/dbraw/zinc/91/62/34/445916234.db2.gz NFJQYNCXBFTZAD-HUUCEWRRSA-N 2 2 348.495 1.258 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@](C)(O)c1ccccc1 ZINC000361757488 445918823 /nfs/dbraw/zinc/91/88/23/445918823.db2.gz WATYANSYKAGCBJ-HOJAQTOUSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@](C)(O)c1ccccc1 ZINC000361757488 445918831 /nfs/dbraw/zinc/91/88/31/445918831.db2.gz WATYANSYKAGCBJ-HOJAQTOUSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@](C)(O)c1ccccc1 ZINC000361757488 445918838 /nfs/dbraw/zinc/91/88/38/445918838.db2.gz WATYANSYKAGCBJ-HOJAQTOUSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@](C)(O)c1ccccc1 ZINC000361757488 445918844 /nfs/dbraw/zinc/91/88/44/445918844.db2.gz WATYANSYKAGCBJ-HOJAQTOUSA-N 2 2 347.503 1.231 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000361763311 445922960 /nfs/dbraw/zinc/92/29/60/445922960.db2.gz HEEIPRJAYLTLBX-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC000361763311 445922969 /nfs/dbraw/zinc/92/29/69/445922969.db2.gz HEEIPRJAYLTLBX-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000361763311 445922976 /nfs/dbraw/zinc/92/29/76/445922976.db2.gz HEEIPRJAYLTLBX-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC000361763311 445922981 /nfs/dbraw/zinc/92/29/81/445922981.db2.gz HEEIPRJAYLTLBX-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CCCCCC[C@@H](O)C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372988565 445962151 /nfs/dbraw/zinc/96/21/51/445962151.db2.gz CMHAEMCZRCZBAE-MSOLQXFVSA-N 2 2 327.513 1.266 20 0 EDADLP CCCCCC[C@@H](O)C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372988565 445962155 /nfs/dbraw/zinc/96/21/55/445962155.db2.gz CMHAEMCZRCZBAE-MSOLQXFVSA-N 2 2 327.513 1.266 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000361811108 445964768 /nfs/dbraw/zinc/96/47/68/445964768.db2.gz HGTGXIQLSSTZTD-GJZGRUSLSA-N 2 2 329.448 2.487 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCc4n[nH]cc43)C2)CC1 ZINC000366036175 445974587 /nfs/dbraw/zinc/97/45/87/445974587.db2.gz YMCDOFNXRVOIDF-ZFWWWQNUSA-N 2 2 331.464 1.114 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCc4n[nH]cc43)C2)CC1 ZINC000366036175 445974592 /nfs/dbraw/zinc/97/45/92/445974592.db2.gz YMCDOFNXRVOIDF-ZFWWWQNUSA-N 2 2 331.464 1.114 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)ccc2[nH+]1 ZINC000359139434 445975926 /nfs/dbraw/zinc/97/59/26/445975926.db2.gz MZCMUBPSNIKSBC-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP C[C@H](CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000359191618 446017167 /nfs/dbraw/zinc/01/71/67/446017167.db2.gz INGIYOTVVXVDSV-CZUORRHYSA-N 2 2 341.415 1.393 20 0 EDADLP C[C@H](CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000359191618 446017177 /nfs/dbraw/zinc/01/71/77/446017177.db2.gz INGIYOTVVXVDSV-CZUORRHYSA-N 2 2 341.415 1.393 20 0 EDADLP C[C@H](CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)[N@H+](C)Cc1ccccc1 ZINC000359191618 446017183 /nfs/dbraw/zinc/01/71/83/446017183.db2.gz INGIYOTVVXVDSV-CZUORRHYSA-N 2 2 341.415 1.393 20 0 EDADLP C[C@H](CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)[N@@H+](C)Cc1ccccc1 ZINC000359191618 446017190 /nfs/dbraw/zinc/01/71/90/446017190.db2.gz INGIYOTVVXVDSV-CZUORRHYSA-N 2 2 341.415 1.393 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000356828070 446052985 /nfs/dbraw/zinc/05/29/85/446052985.db2.gz WHXJMYOWBOFUKV-HNNXBMFYSA-N 2 2 334.464 1.372 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000356828070 446052993 /nfs/dbraw/zinc/05/29/93/446052993.db2.gz WHXJMYOWBOFUKV-HNNXBMFYSA-N 2 2 334.464 1.372 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)NC[C@H]1C[NH2+]CCCO1 ZINC000583370466 326058971 /nfs/dbraw/zinc/05/89/71/326058971.db2.gz HHTQTOBUHSGCIZ-CYBMUJFWSA-N 2 2 337.811 1.165 20 0 EDADLP C[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1[nH]cc[nH+]1 ZINC000583534051 326090134 /nfs/dbraw/zinc/09/01/34/326090134.db2.gz VQNJGDDOSPHFJR-GDBMZVCRSA-N 2 2 328.416 1.878 20 0 EDADLP C[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1[nH]cc[nH+]1 ZINC000583534051 326090137 /nfs/dbraw/zinc/09/01/37/326090137.db2.gz VQNJGDDOSPHFJR-GDBMZVCRSA-N 2 2 328.416 1.878 20 0 EDADLP O=c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc2ccc(Cl)cn12 ZINC000583565340 326097042 /nfs/dbraw/zinc/09/70/42/326097042.db2.gz ZZWGKRNJVARQMW-QGZVFWFLSA-N 2 2 332.835 1.923 20 0 EDADLP O=c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc2ccc(Cl)cn12 ZINC000583565340 326097044 /nfs/dbraw/zinc/09/70/44/326097044.db2.gz ZZWGKRNJVARQMW-QGZVFWFLSA-N 2 2 332.835 1.923 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@H]2SCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000583614215 326104490 /nfs/dbraw/zinc/10/44/90/326104490.db2.gz JRMIOFVLQRQUNO-GDBMZVCRSA-N 2 2 334.489 1.301 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@H]2SCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000583614215 326104494 /nfs/dbraw/zinc/10/44/94/326104494.db2.gz JRMIOFVLQRQUNO-GDBMZVCRSA-N 2 2 334.489 1.301 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000583625136 326105900 /nfs/dbraw/zinc/10/59/00/326105900.db2.gz KCYZGNFJDYMGBL-NXEZZACHSA-N 2 2 331.338 1.399 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC1CC[NH2+]CC1)CC2 ZINC000583751770 326132889 /nfs/dbraw/zinc/13/28/89/326132889.db2.gz WQUPHDOUMFKOBZ-UHFFFAOYSA-N 2 2 347.459 1.178 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC1CC[NH2+]CC1)CC2 ZINC000583751770 326132890 /nfs/dbraw/zinc/13/28/90/326132890.db2.gz WQUPHDOUMFKOBZ-UHFFFAOYSA-N 2 2 347.459 1.178 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2N2CCCCC2)[C@H](C[NH3+])C1 ZINC000584040802 326187871 /nfs/dbraw/zinc/18/78/71/326187871.db2.gz OVVYBNSCFJKBGZ-OAHLLOKOSA-N 2 2 331.464 1.784 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccccc2N2CCCCC2)[C@H](C[NH3+])C1 ZINC000584040802 326187875 /nfs/dbraw/zinc/18/78/75/326187875.db2.gz OVVYBNSCFJKBGZ-OAHLLOKOSA-N 2 2 331.464 1.784 20 0 EDADLP COc1cc(C)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C)n1 ZINC000359233519 446064465 /nfs/dbraw/zinc/06/44/65/446064465.db2.gz XLOYOHDSLLSNPJ-UHFFFAOYSA-N 2 2 332.492 1.920 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000584240059 326227498 /nfs/dbraw/zinc/22/74/98/326227498.db2.gz VLRRTKRPYPYABM-SFHVURJKSA-N 2 2 336.476 1.814 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000584240059 326227502 /nfs/dbraw/zinc/22/75/02/326227502.db2.gz VLRRTKRPYPYABM-SFHVURJKSA-N 2 2 336.476 1.814 20 0 EDADLP CN(C(=O)NC[C@@H]1CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366172639 446061167 /nfs/dbraw/zinc/06/11/67/446061167.db2.gz RMWLTGUVSOFURS-HOCLYGCPSA-N 2 2 340.537 1.549 20 0 EDADLP CN(C(=O)NC[C@@H]1CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366172639 446061170 /nfs/dbraw/zinc/06/11/70/446061170.db2.gz RMWLTGUVSOFURS-HOCLYGCPSA-N 2 2 340.537 1.549 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(OC(F)F)cc1 ZINC000359311256 446141638 /nfs/dbraw/zinc/14/16/38/446141638.db2.gz UCPCONNSMCUUCI-CHWSQXEVSA-N 2 2 325.359 1.055 20 0 EDADLP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000366300134 446136576 /nfs/dbraw/zinc/13/65/76/446136576.db2.gz RAYBAEXMTRJEQT-FXAWDEMLSA-N 2 2 345.487 1.679 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3cccc(N4CCCC4=O)c3)C[C@H]12 ZINC000351488281 446089856 /nfs/dbraw/zinc/08/98/56/446089856.db2.gz FBHWAWUZDQMNEN-XOKHGSTOSA-N 2 2 342.443 1.421 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(N4CCCC4=O)c3)C[C@H]12 ZINC000351488281 446089858 /nfs/dbraw/zinc/08/98/58/446089858.db2.gz FBHWAWUZDQMNEN-XOKHGSTOSA-N 2 2 342.443 1.421 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)cn1 ZINC000354310358 446101643 /nfs/dbraw/zinc/10/16/43/446101643.db2.gz GBIRBAGRFFNIGV-MRXNPFEDSA-N 2 2 342.447 1.229 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)cn1 ZINC000354310358 446101651 /nfs/dbraw/zinc/10/16/51/446101651.db2.gz GBIRBAGRFFNIGV-MRXNPFEDSA-N 2 2 342.447 1.229 20 0 EDADLP CC(C)[C@@H]1C[C@H](CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000359269020 446106434 /nfs/dbraw/zinc/10/64/34/446106434.db2.gz VFCLDEURKBCGJL-AEFFLSMTSA-N 2 2 339.524 1.970 20 0 EDADLP COc1ccc(CN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C2CC2)cc1 ZINC000359269125 446106549 /nfs/dbraw/zinc/10/65/49/446106549.db2.gz BVOAISYAINFJOQ-HZPDHXFCSA-N 2 2 329.444 1.337 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1nnnn1C1CC1 ZINC000365269453 446114894 /nfs/dbraw/zinc/11/48/94/446114894.db2.gz RADSIHIMXVYSAU-OCVGTWLNSA-N 2 2 334.468 1.548 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1nnnn1C1CC1 ZINC000365269453 446114899 /nfs/dbraw/zinc/11/48/99/446114899.db2.gz RADSIHIMXVYSAU-OCVGTWLNSA-N 2 2 334.468 1.548 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C2CC2)n(C)n1 ZINC000359284517 446121018 /nfs/dbraw/zinc/12/10/18/446121018.db2.gz HCFPZMYXTDHHDG-UHFFFAOYSA-N 2 2 333.480 1.396 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C2CC2)n(C)n1 ZINC000359284517 446121023 /nfs/dbraw/zinc/12/10/23/446121023.db2.gz HCFPZMYXTDHHDG-UHFFFAOYSA-N 2 2 333.480 1.396 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)C[N@@H+]1C1CC1 ZINC000366279943 446125391 /nfs/dbraw/zinc/12/53/91/446125391.db2.gz GSJWTZAGSNIRDO-HUUCEWRRSA-N 2 2 348.491 1.846 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)C[N@H+]1C1CC1 ZINC000366279943 446125394 /nfs/dbraw/zinc/12/53/94/446125394.db2.gz GSJWTZAGSNIRDO-HUUCEWRRSA-N 2 2 348.491 1.846 20 0 EDADLP COc1cc(C)c([C@H](C)NC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000359294872 446128834 /nfs/dbraw/zinc/12/88/34/446128834.db2.gz AVXRSRPAQQHZJE-RRFJBIMHSA-N 2 2 347.459 1.341 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000354347384 446131256 /nfs/dbraw/zinc/13/12/56/446131256.db2.gz KGJSVOORELJKDI-MOPGFXCFSA-N 2 2 349.519 1.822 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000354347384 446131261 /nfs/dbraw/zinc/13/12/61/446131261.db2.gz KGJSVOORELJKDI-MOPGFXCFSA-N 2 2 349.519 1.822 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354400891 446177806 /nfs/dbraw/zinc/17/78/06/446177806.db2.gz GDUGUNKSJFKXKH-HNNXBMFYSA-N 2 2 332.448 1.080 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000354400891 446177811 /nfs/dbraw/zinc/17/78/11/446177811.db2.gz GDUGUNKSJFKXKH-HNNXBMFYSA-N 2 2 332.448 1.080 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000354423444 446193595 /nfs/dbraw/zinc/19/35/95/446193595.db2.gz SOPCPPOFIQWKPZ-IEBWSBKVSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000354423444 446193602 /nfs/dbraw/zinc/19/36/02/446193602.db2.gz SOPCPPOFIQWKPZ-IEBWSBKVSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000354423444 446193607 /nfs/dbraw/zinc/19/36/07/446193607.db2.gz SOPCPPOFIQWKPZ-IEBWSBKVSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000354423444 446193611 /nfs/dbraw/zinc/19/36/11/446193611.db2.gz SOPCPPOFIQWKPZ-IEBWSBKVSA-N 2 2 344.503 1.403 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1)C1CC1 ZINC000351542959 446143618 /nfs/dbraw/zinc/14/36/18/446143618.db2.gz ZSQOKGMBPRSWQB-GOSISDBHSA-N 2 2 337.508 1.602 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1)C1CC1 ZINC000351542959 446143623 /nfs/dbraw/zinc/14/36/23/446143623.db2.gz ZSQOKGMBPRSWQB-GOSISDBHSA-N 2 2 337.508 1.602 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)C1 ZINC000365530943 446243020 /nfs/dbraw/zinc/24/30/20/446243020.db2.gz BFTCFTYIASNTHB-DLBZAZTESA-N 2 2 346.475 1.443 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)C1 ZINC000365530943 446243024 /nfs/dbraw/zinc/24/30/24/446243024.db2.gz BFTCFTYIASNTHB-DLBZAZTESA-N 2 2 346.475 1.443 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000366477915 446231570 /nfs/dbraw/zinc/23/15/70/446231570.db2.gz BRMLCSOAUUBVNO-FQEVSTJZSA-N 2 2 345.487 1.908 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000366477915 446231574 /nfs/dbraw/zinc/23/15/74/446231574.db2.gz BRMLCSOAUUBVNO-FQEVSTJZSA-N 2 2 345.487 1.908 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000366477915 446231576 /nfs/dbraw/zinc/23/15/76/446231576.db2.gz BRMLCSOAUUBVNO-FQEVSTJZSA-N 2 2 345.487 1.908 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000366477915 446231580 /nfs/dbraw/zinc/23/15/80/446231580.db2.gz BRMLCSOAUUBVNO-FQEVSTJZSA-N 2 2 345.487 1.908 20 0 EDADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000370342670 446237435 /nfs/dbraw/zinc/23/74/35/446237435.db2.gz LEQIJWIOMOIFPH-ROUUACIJSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000370342670 446237437 /nfs/dbraw/zinc/23/74/37/446237437.db2.gz LEQIJWIOMOIFPH-ROUUACIJSA-N 2 2 331.460 1.224 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCN(C)c1ccccc1 ZINC000370347455 446240046 /nfs/dbraw/zinc/24/00/46/446240046.db2.gz SYJIUTAIGSORKR-ICSRJNTNSA-N 2 2 346.519 1.460 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCN(C)c1ccccc1 ZINC000370347455 446240049 /nfs/dbraw/zinc/24/00/49/446240049.db2.gz SYJIUTAIGSORKR-ICSRJNTNSA-N 2 2 346.519 1.460 20 0 EDADLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCN(C)c1ccccc1 ZINC000370347455 446240053 /nfs/dbraw/zinc/24/00/53/446240053.db2.gz SYJIUTAIGSORKR-ICSRJNTNSA-N 2 2 346.519 1.460 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365539206 446246267 /nfs/dbraw/zinc/24/62/67/446246267.db2.gz PDDXWGAITDMOEX-ULQDDVLXSA-N 2 2 337.427 1.824 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365539206 446246268 /nfs/dbraw/zinc/24/62/68/446246268.db2.gz PDDXWGAITDMOEX-ULQDDVLXSA-N 2 2 337.427 1.824 20 0 EDADLP C[NH+]1CCC(CNC(=O)C[C@@](C)(O)C2CC2)([NH+]2CCCCC2)CC1 ZINC000362179453 446248743 /nfs/dbraw/zinc/24/87/43/446248743.db2.gz QBINUCPTXQWDJU-GOSISDBHSA-N 2 2 337.508 1.604 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000373531726 446250281 /nfs/dbraw/zinc/25/02/81/446250281.db2.gz DWFBMQAFGWLLPH-MSOLQXFVSA-N 2 2 342.443 1.104 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000373531726 446250283 /nfs/dbraw/zinc/25/02/83/446250283.db2.gz DWFBMQAFGWLLPH-MSOLQXFVSA-N 2 2 342.443 1.104 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365550443 446251329 /nfs/dbraw/zinc/25/13/29/446251329.db2.gz SYNYAOWARILLGE-SQNIBIBYSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000365550443 446251332 /nfs/dbraw/zinc/25/13/32/446251332.db2.gz SYNYAOWARILLGE-SQNIBIBYSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365550443 446251338 /nfs/dbraw/zinc/25/13/38/446251338.db2.gz SYNYAOWARILLGE-SQNIBIBYSA-N 2 2 343.471 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365550443 446251339 /nfs/dbraw/zinc/25/13/39/446251339.db2.gz SYNYAOWARILLGE-SQNIBIBYSA-N 2 2 343.471 1.728 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000366534284 446251617 /nfs/dbraw/zinc/25/16/17/446251617.db2.gz KTICVTFXOIMEJT-LJQANCHMSA-N 2 2 331.460 1.518 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000366534284 446251624 /nfs/dbraw/zinc/25/16/24/446251624.db2.gz KTICVTFXOIMEJT-LJQANCHMSA-N 2 2 331.460 1.518 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000366534284 446251627 /nfs/dbraw/zinc/25/16/27/446251627.db2.gz KTICVTFXOIMEJT-LJQANCHMSA-N 2 2 331.460 1.518 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000366534284 446251631 /nfs/dbraw/zinc/25/16/31/446251631.db2.gz KTICVTFXOIMEJT-LJQANCHMSA-N 2 2 331.460 1.518 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366552702 446259254 /nfs/dbraw/zinc/25/92/54/446259254.db2.gz DJQSCOUWIUGNJR-HYVNUMGLSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366552702 446259259 /nfs/dbraw/zinc/25/92/59/446259259.db2.gz DJQSCOUWIUGNJR-HYVNUMGLSA-N 2 2 336.480 1.118 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417500502 446356127 /nfs/dbraw/zinc/35/61/27/446356127.db2.gz HNUIXQYYNFPLHV-UHFFFAOYSA-N 2 2 334.464 1.268 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417500502 446356131 /nfs/dbraw/zinc/35/61/31/446356131.db2.gz HNUIXQYYNFPLHV-UHFFFAOYSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[NH+]([C@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000366841551 446377206 /nfs/dbraw/zinc/37/72/06/446377206.db2.gz BDGYLAIQHGIXFZ-CVEARBPZSA-N 2 2 331.464 1.624 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417947764 446396043 /nfs/dbraw/zinc/39/60/43/446396043.db2.gz GZKPPJSQDGCMBM-VCTAVGKDSA-N 2 2 326.391 1.604 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417947764 446396047 /nfs/dbraw/zinc/39/60/47/446396047.db2.gz GZKPPJSQDGCMBM-VCTAVGKDSA-N 2 2 326.391 1.604 20 0 EDADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423117434 446428728 /nfs/dbraw/zinc/42/87/28/446428728.db2.gz VLMIEEOKCNTDIA-HOTGVXAUSA-N 2 2 342.436 1.086 20 0 EDADLP c1nc(N2CCSCC2)cc(N2CCC([C@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000420262859 446437945 /nfs/dbraw/zinc/43/79/45/446437945.db2.gz SBWVKZKDCKLUSV-HNNXBMFYSA-N 2 2 333.505 1.856 20 0 EDADLP c1nc(N2CCC([C@H]3CC[NH2+]C3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000420262859 446437951 /nfs/dbraw/zinc/43/79/51/446437951.db2.gz SBWVKZKDCKLUSV-HNNXBMFYSA-N 2 2 333.505 1.856 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000420294107 446456967 /nfs/dbraw/zinc/45/69/67/446456967.db2.gz SJZQOZWVPGDIFE-UKRRQHHQSA-N 2 2 333.432 1.779 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000420294107 446456971 /nfs/dbraw/zinc/45/69/71/446456971.db2.gz SJZQOZWVPGDIFE-UKRRQHHQSA-N 2 2 333.432 1.779 20 0 EDADLP CN(C(=O)/C=C/c1cncc(F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821310 446461124 /nfs/dbraw/zinc/46/11/24/446461124.db2.gz TWAHIFGUAAYYFW-WHLIDYPQSA-N 2 2 346.450 1.861 20 0 EDADLP CN(C(=O)/C=C/c1cncc(F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821310 446461128 /nfs/dbraw/zinc/46/11/28/446461128.db2.gz TWAHIFGUAAYYFW-WHLIDYPQSA-N 2 2 346.450 1.861 20 0 EDADLP COc1ccsc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831888 446466214 /nfs/dbraw/zinc/46/62/14/446466214.db2.gz WHCKQTFPIIWKCN-AWEZNQCLSA-N 2 2 337.489 1.997 20 0 EDADLP COc1ccsc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831888 446466222 /nfs/dbraw/zinc/46/62/22/446466222.db2.gz WHCKQTFPIIWKCN-AWEZNQCLSA-N 2 2 337.489 1.997 20 0 EDADLP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000420313976 446477164 /nfs/dbraw/zinc/47/71/64/446477164.db2.gz UWHJGONCWSZZGH-CABCVRRESA-N 2 2 335.448 1.852 20 0 EDADLP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000420313976 446477169 /nfs/dbraw/zinc/47/71/69/446477169.db2.gz UWHJGONCWSZZGH-CABCVRRESA-N 2 2 335.448 1.852 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H](C)O1 ZINC000370873847 446493775 /nfs/dbraw/zinc/49/37/75/446493775.db2.gz UUGRRGFZJWDTDF-OAGGEKHMSA-N 2 2 334.464 1.451 20 0 EDADLP CCOC1CC(CNc2cc(C)[nH+]c(CC)n2)([NH+]2CCOCC2)C1 ZINC000376435579 446495829 /nfs/dbraw/zinc/49/58/29/446495829.db2.gz OMSFZOAYPPABNP-UHFFFAOYSA-N 2 2 334.464 2.029 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423376322 446508858 /nfs/dbraw/zinc/50/88/58/446508858.db2.gz UYTXXFUTLQALCL-AXAPSJFSSA-N 2 2 325.403 1.867 20 0 EDADLP CN(C(=O)N[C@H]1CSC1(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367114334 446509265 /nfs/dbraw/zinc/50/92/65/446509265.db2.gz OAPRPZZVHQLRLQ-GJZGRUSLSA-N 2 2 340.537 1.690 20 0 EDADLP CN(C(=O)N[C@H]1CSC1(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367114334 446509269 /nfs/dbraw/zinc/50/92/69/446509269.db2.gz OAPRPZZVHQLRLQ-GJZGRUSLSA-N 2 2 340.537 1.690 20 0 EDADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CS(C)(=O)=O)CC2)cs1 ZINC000375006930 446509330 /nfs/dbraw/zinc/50/93/30/446509330.db2.gz XCOMDOAWWYOGFX-LBPRGKRZSA-N 2 2 345.534 1.686 20 0 EDADLP [NH3+]C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000418363752 446514948 /nfs/dbraw/zinc/51/49/48/446514948.db2.gz NJPOFBIQPGSTPC-INIZCTEOSA-N 2 2 331.464 1.821 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418327629 446501055 /nfs/dbraw/zinc/50/10/55/446501055.db2.gz QYXDYABOCGIQRZ-STQMWFEESA-N 2 2 328.457 1.569 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418327629 446501059 /nfs/dbraw/zinc/50/10/59/446501059.db2.gz QYXDYABOCGIQRZ-STQMWFEESA-N 2 2 328.457 1.569 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1 ZINC000418485351 446560822 /nfs/dbraw/zinc/56/08/22/446560822.db2.gz HATCBGCUEGYRLC-MPGHIAIKSA-N 2 2 346.475 1.711 20 0 EDADLP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420384349 446561250 /nfs/dbraw/zinc/56/12/50/446561250.db2.gz ROQSMMFTULSTQQ-HZSPNIEDSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420384349 446561258 /nfs/dbraw/zinc/56/12/58/446561258.db2.gz ROQSMMFTULSTQQ-HZSPNIEDSA-N 2 2 335.448 1.948 20 0 EDADLP COc1ccsc1[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000375073915 446563338 /nfs/dbraw/zinc/56/33/38/446563338.db2.gz JHNFPPSRYJNSEV-CABCVRRESA-N 2 2 339.505 1.814 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411482840 446564244 /nfs/dbraw/zinc/56/42/44/446564244.db2.gz LQLDXQHAMIEYHA-CQSZACIVSA-N 2 2 343.431 1.509 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000411482840 446564249 /nfs/dbraw/zinc/56/42/49/446564249.db2.gz LQLDXQHAMIEYHA-CQSZACIVSA-N 2 2 343.431 1.509 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420345536 446517346 /nfs/dbraw/zinc/51/73/46/446517346.db2.gz ZSFRRXOMEASBLG-UHFFFAOYSA-N 2 2 327.375 1.668 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420345536 446517350 /nfs/dbraw/zinc/51/73/50/446517350.db2.gz ZSFRRXOMEASBLG-UHFFFAOYSA-N 2 2 327.375 1.668 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000420351329 446529394 /nfs/dbraw/zinc/52/93/94/446529394.db2.gz JVVAYAZWYSQNRJ-GXFFZTMASA-N 2 2 332.231 1.350 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000420351329 446529404 /nfs/dbraw/zinc/52/94/04/446529404.db2.gz JVVAYAZWYSQNRJ-GXFFZTMASA-N 2 2 332.231 1.350 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000420354704 446533128 /nfs/dbraw/zinc/53/31/28/446533128.db2.gz BIHRFRBFTKDLDA-IIHSZXCVSA-N 3 2 332.492 1.382 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCC(C)(C)[NH3+])CC2)c1 ZINC000418414495 446536023 /nfs/dbraw/zinc/53/60/23/446536023.db2.gz LUNPSNPFNNMKNB-CQSZACIVSA-N 2 2 334.464 1.821 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000375042674 446537315 /nfs/dbraw/zinc/53/73/15/446537315.db2.gz UDEFZYJBTBZEEH-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1C ZINC000420363318 446542347 /nfs/dbraw/zinc/54/23/47/446542347.db2.gz JKBDYAZKTLTFPR-HACGYAERSA-N 2 2 332.448 1.928 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420363833 446543770 /nfs/dbraw/zinc/54/37/70/446543770.db2.gz OFIZMKWNNIZBSU-GOSISDBHSA-N 3 2 346.519 1.862 20 0 EDADLP [NH3+]C[C@@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)C1CCCCC1 ZINC000420364511 446544923 /nfs/dbraw/zinc/54/49/23/446544923.db2.gz RAFRCEOIWDOWJU-OAHLLOKOSA-N 2 2 330.432 1.469 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(-c2ccccc2)nn1C ZINC000453104007 446546509 /nfs/dbraw/zinc/54/65/09/446546509.db2.gz BVQAUZUGKQESGT-DOTOQJQBSA-N 2 2 327.476 1.984 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000420373202 446550715 /nfs/dbraw/zinc/55/07/15/446550715.db2.gz QWZDZQVQRIAEDK-IOASZLSFSA-N 2 2 326.462 1.445 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375989 446552773 /nfs/dbraw/zinc/55/27/73/446552773.db2.gz OXRSRXVEAFCUBT-ACJLOTCBSA-N 2 2 330.432 1.188 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375989 446552777 /nfs/dbraw/zinc/55/27/77/446552777.db2.gz OXRSRXVEAFCUBT-ACJLOTCBSA-N 2 2 330.432 1.188 20 0 EDADLP COCc1ccc(CNC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420376457 446555078 /nfs/dbraw/zinc/55/50/78/446555078.db2.gz VBSGEWCDCFQIMW-GOSISDBHSA-N 2 2 333.476 1.946 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)NC(=O)Nc1ccccc1F ZINC000420381739 446556105 /nfs/dbraw/zinc/55/61/05/446556105.db2.gz ZJDSLZFIKISMSM-OXJKWZBOSA-N 2 2 336.411 1.838 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420381719 446556372 /nfs/dbraw/zinc/55/63/72/446556372.db2.gz ZGUPRHPEXUEACN-HZPDHXFCSA-N 2 2 339.480 1.428 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)c1 ZINC000418523445 446580194 /nfs/dbraw/zinc/58/01/94/446580194.db2.gz KVTWIOBEJJKOEL-UHFFFAOYSA-N 2 2 326.391 1.416 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000420416202 446588778 /nfs/dbraw/zinc/58/87/78/446588778.db2.gz VJHMCLLCSRGQLB-KURKYZTESA-N 2 2 344.503 1.546 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000420416202 446588783 /nfs/dbraw/zinc/58/87/83/446588783.db2.gz VJHMCLLCSRGQLB-KURKYZTESA-N 2 2 344.503 1.546 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418549306 446589090 /nfs/dbraw/zinc/58/90/90/446589090.db2.gz FPQFERWYCKLKAD-YOEHRIQHSA-N 2 2 334.439 1.793 20 0 EDADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CC[NH+](Cc2ccco2)CC1 ZINC000418557556 446593473 /nfs/dbraw/zinc/59/34/73/446593473.db2.gz RMVNPAUKWFPFPS-UHFFFAOYSA-N 2 2 340.427 1.910 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000375199058 446638416 /nfs/dbraw/zinc/63/84/16/446638416.db2.gz ZVRYHPDWPCFKBQ-UHFFFAOYSA-N 2 2 327.432 1.078 20 0 EDADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000368101781 446641566 /nfs/dbraw/zinc/64/15/66/446641566.db2.gz LKMCJONWXMXFNU-JSGCOSHPSA-N 2 2 348.472 1.868 20 0 EDADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000368101781 446641575 /nfs/dbraw/zinc/64/15/75/446641575.db2.gz LKMCJONWXMXFNU-JSGCOSHPSA-N 2 2 348.472 1.868 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000371140356 446650201 /nfs/dbraw/zinc/65/02/01/446650201.db2.gz WYAVBRDKHMSIET-PXNSSMCTSA-N 2 2 345.487 1.305 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000423745561 446677015 /nfs/dbraw/zinc/67/70/15/446677015.db2.gz PWQCJOAAJLQFFY-OAHLLOKOSA-N 2 2 349.450 1.786 20 0 EDADLP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418735150 446660063 /nfs/dbraw/zinc/66/00/63/446660063.db2.gz SXWXRQJLNHOEEM-AWEZNQCLSA-N 2 2 326.391 1.402 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000368155581 446674058 /nfs/dbraw/zinc/67/40/58/446674058.db2.gz PBDNBYLZNGNQNJ-NVXWUHKLSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000368155581 446674065 /nfs/dbraw/zinc/67/40/65/446674065.db2.gz PBDNBYLZNGNQNJ-NVXWUHKLSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000368155581 446674072 /nfs/dbraw/zinc/67/40/72/446674072.db2.gz PBDNBYLZNGNQNJ-NVXWUHKLSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000368155581 446674077 /nfs/dbraw/zinc/67/40/77/446674077.db2.gz PBDNBYLZNGNQNJ-NVXWUHKLSA-N 2 2 338.496 1.269 20 0 EDADLP COC(=O)C[C@H](C)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368052833 446622375 /nfs/dbraw/zinc/62/23/75/446622375.db2.gz ZHBNYNFROXOMHN-CABCVRRESA-N 2 2 339.480 1.203 20 0 EDADLP COC(=O)C[C@H](C)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368052833 446622379 /nfs/dbraw/zinc/62/23/79/446622379.db2.gz ZHBNYNFROXOMHN-CABCVRRESA-N 2 2 339.480 1.203 20 0 EDADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423772330 446697145 /nfs/dbraw/zinc/69/71/45/446697145.db2.gz JWDJIUIIQNNVKE-SFHVURJKSA-N 2 2 339.443 1.269 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423822039 446712563 /nfs/dbraw/zinc/71/25/63/446712563.db2.gz IGPKGJMGIMARJR-FWYOQMDTSA-N 2 2 337.851 1.578 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423822039 446712567 /nfs/dbraw/zinc/71/25/67/446712567.db2.gz IGPKGJMGIMARJR-FWYOQMDTSA-N 2 2 337.851 1.578 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000423829477 446718336 /nfs/dbraw/zinc/71/83/36/446718336.db2.gz PBYOQKDDZPBPLI-MELADBBJSA-N 2 2 327.400 1.489 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000423829477 446718337 /nfs/dbraw/zinc/71/83/37/446718337.db2.gz PBYOQKDDZPBPLI-MELADBBJSA-N 2 2 327.400 1.489 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[C@@H]([NH+]3CCCC3)C1)CCC2 ZINC000371263409 446723459 /nfs/dbraw/zinc/72/34/59/446723459.db2.gz YHFSHOXCDJBJTN-HZPDHXFCSA-N 2 2 331.464 1.949 20 0 EDADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423753744 446684156 /nfs/dbraw/zinc/68/41/56/446684156.db2.gz HENYQIKKDKHWEZ-WBVHZDCISA-N 2 2 342.443 1.017 20 0 EDADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423753744 446684162 /nfs/dbraw/zinc/68/41/62/446684162.db2.gz HENYQIKKDKHWEZ-WBVHZDCISA-N 2 2 342.443 1.017 20 0 EDADLP O=C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000375436710 446799079 /nfs/dbraw/zinc/79/90/79/446799079.db2.gz LXFQWVWBRMDLLG-FUHWJXTLSA-N 2 2 349.500 1.549 20 0 EDADLP Cc1cccc(CNC(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371295347 446752176 /nfs/dbraw/zinc/75/21/76/446752176.db2.gz QTNIPOBEJDTCGU-GBESFXJTSA-N 2 2 345.487 1.795 20 0 EDADLP Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371295347 446752180 /nfs/dbraw/zinc/75/21/80/446752180.db2.gz QTNIPOBEJDTCGU-GBESFXJTSA-N 2 2 345.487 1.795 20 0 EDADLP Cc1csc(=O)n1CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300317 446756263 /nfs/dbraw/zinc/75/62/63/446756263.db2.gz OGSHDXIDMDPEBP-QLFBSQMISA-N 2 2 325.478 1.402 20 0 EDADLP Cc1csc(=O)n1CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300317 446756265 /nfs/dbraw/zinc/75/62/65/446756265.db2.gz OGSHDXIDMDPEBP-QLFBSQMISA-N 2 2 325.478 1.402 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@H]1C ZINC000368294111 446764780 /nfs/dbraw/zinc/76/47/80/446764780.db2.gz OHLVRQWAJXIEHI-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@H]1C ZINC000368294111 446764784 /nfs/dbraw/zinc/76/47/84/446764784.db2.gz OHLVRQWAJXIEHI-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[C@H]1C ZINC000368294111 446764788 /nfs/dbraw/zinc/76/47/88/446764788.db2.gz OHLVRQWAJXIEHI-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[C@H]1C ZINC000368294111 446764793 /nfs/dbraw/zinc/76/47/93/446764793.db2.gz OHLVRQWAJXIEHI-VKJFTORMSA-N 2 2 346.475 1.270 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000423923113 446773759 /nfs/dbraw/zinc/77/37/59/446773759.db2.gz XCSDUMBGJZICIW-ZQIUZPCESA-N 2 2 338.427 1.320 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000423923113 446773766 /nfs/dbraw/zinc/77/37/66/446773766.db2.gz XCSDUMBGJZICIW-ZQIUZPCESA-N 2 2 338.427 1.320 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000423927172 446778658 /nfs/dbraw/zinc/77/86/58/446778658.db2.gz IJZRPQPGHZPBKQ-CQSZACIVSA-N 2 2 332.448 1.646 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3C[NH2+]CCO3)ccc2n1C1CC1 ZINC000423927377 446779148 /nfs/dbraw/zinc/77/91/48/446779148.db2.gz FYWQHUWDAKMZHK-INIZCTEOSA-N 2 2 328.416 1.538 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)c1c[nH+]ccc1N ZINC000423934607 446785157 /nfs/dbraw/zinc/78/51/57/446785157.db2.gz VZLMHILQHVWRKZ-ROUUACIJSA-N 2 2 340.427 1.638 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)c1c[nH+]ccc1N ZINC000423934607 446785164 /nfs/dbraw/zinc/78/51/64/446785164.db2.gz VZLMHILQHVWRKZ-ROUUACIJSA-N 2 2 340.427 1.638 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)CCC2 ZINC000376945202 446813803 /nfs/dbraw/zinc/81/38/03/446813803.db2.gz MXGDRCMLXLMAJK-JYJNAYRXSA-N 2 2 349.479 1.165 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)CCC2 ZINC000376945202 446813810 /nfs/dbraw/zinc/81/38/10/446813810.db2.gz MXGDRCMLXLMAJK-JYJNAYRXSA-N 2 2 349.479 1.165 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000423992820 446814078 /nfs/dbraw/zinc/81/40/78/446814078.db2.gz KHKMXAWQUUVXJT-UXLLHSPISA-N 2 2 331.464 1.143 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000423992820 446814084 /nfs/dbraw/zinc/81/40/84/446814084.db2.gz KHKMXAWQUUVXJT-UXLLHSPISA-N 2 2 331.464 1.143 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000420790260 446823157 /nfs/dbraw/zinc/82/31/57/446823157.db2.gz GONLNYHVOAVLGO-UHFFFAOYSA-N 2 2 346.475 1.695 20 0 EDADLP CCCCNc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)nc(N)[nH+]1 ZINC000439153067 446808621 /nfs/dbraw/zinc/80/86/21/446808621.db2.gz CWZMNLAGYLAMBW-ZIAGYGMSSA-N 2 2 336.484 1.552 20 0 EDADLP CCCCNc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)nc(N)[nH+]1 ZINC000439153067 446808629 /nfs/dbraw/zinc/80/86/29/446808629.db2.gz CWZMNLAGYLAMBW-ZIAGYGMSSA-N 2 2 336.484 1.552 20 0 EDADLP Clc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-n2cncn2)c1 ZINC000368444443 446866154 /nfs/dbraw/zinc/86/61/54/446866154.db2.gz ZEXXSOKURDQIIG-JKSUJKDBSA-N 2 2 347.850 1.874 20 0 EDADLP Clc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(-n2cncn2)c1 ZINC000368444443 446866160 /nfs/dbraw/zinc/86/61/60/446866160.db2.gz ZEXXSOKURDQIIG-JKSUJKDBSA-N 2 2 347.850 1.874 20 0 EDADLP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000368443853 446866979 /nfs/dbraw/zinc/86/69/79/446866979.db2.gz WHSOGBBBYKVHMW-ROUUACIJSA-N 2 2 330.407 1.964 20 0 EDADLP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000368443853 446866984 /nfs/dbraw/zinc/86/69/84/446866984.db2.gz WHSOGBBBYKVHMW-ROUUACIJSA-N 2 2 330.407 1.964 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371457424 446868284 /nfs/dbraw/zinc/86/82/84/446868284.db2.gz IHYZJCLGMHZYQU-CQSZACIVSA-N 2 2 344.459 1.026 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371457424 446868290 /nfs/dbraw/zinc/86/82/90/446868290.db2.gz IHYZJCLGMHZYQU-CQSZACIVSA-N 2 2 344.459 1.026 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3CC(C)(F)C3)CC2)CC1 ZINC000454444918 446876979 /nfs/dbraw/zinc/87/69/79/446876979.db2.gz DDQXHIKUIUTZGC-UHFFFAOYSA-N 2 2 326.460 1.735 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000424457954 446877173 /nfs/dbraw/zinc/87/71/73/446877173.db2.gz RZDWULPVEIQBAW-UHFFFAOYSA-N 2 2 343.431 1.561 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(CF)CC3)CC2)CC1 ZINC000454463735 446881597 /nfs/dbraw/zinc/88/15/97/446881597.db2.gz UYILBTASGNYGDN-UHFFFAOYSA-N 2 2 340.487 1.936 20 0 EDADLP C[N@H+](CCO)C1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420917863 446888301 /nfs/dbraw/zinc/88/83/01/446888301.db2.gz UMDXBXQWUMFUPO-UHFFFAOYSA-N 2 2 347.503 1.407 20 0 EDADLP C[N@@H+](CCO)C1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420917863 446888306 /nfs/dbraw/zinc/88/83/06/446888306.db2.gz UMDXBXQWUMFUPO-UHFFFAOYSA-N 2 2 347.503 1.407 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCCc3cccc(F)c3)CCO2)CC1 ZINC000371498467 446894381 /nfs/dbraw/zinc/89/43/81/446894381.db2.gz VOJKHTNNCVSTMV-LJQANCHMSA-N 2 2 335.467 1.707 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000377064133 446896234 /nfs/dbraw/zinc/89/62/34/446896234.db2.gz BHWYHGMGLZVKAO-IKGGRYGDSA-N 2 2 332.496 1.182 20 0 EDADLP CN(CC(F)(F)F)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368528886 446923296 /nfs/dbraw/zinc/92/32/96/446923296.db2.gz VQINXXNQWCJTJR-ZDUSSCGKSA-N 2 2 336.402 1.701 20 0 EDADLP CN(CC(F)(F)F)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368528886 446923302 /nfs/dbraw/zinc/92/33/02/446923302.db2.gz VQINXXNQWCJTJR-ZDUSSCGKSA-N 2 2 336.402 1.701 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncnn3CCF)CC2)CC1 ZINC000375623584 446931854 /nfs/dbraw/zinc/93/18/54/446931854.db2.gz HJXVYQRERCWLGE-UHFFFAOYSA-N 2 2 338.475 1.097 20 0 EDADLP C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CCO2 ZINC000420968349 446939455 /nfs/dbraw/zinc/93/94/55/446939455.db2.gz WCWDHLSEEFSWSX-FXAWDEMLSA-N 2 2 346.471 1.899 20 0 EDADLP C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CCO2 ZINC000420968349 446939462 /nfs/dbraw/zinc/93/94/62/446939462.db2.gz WCWDHLSEEFSWSX-FXAWDEMLSA-N 2 2 346.471 1.899 20 0 EDADLP CN1CCO[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@H]21 ZINC000420968113 446939935 /nfs/dbraw/zinc/93/99/35/446939935.db2.gz VKOYVYYQZJGSMK-UXHICEINSA-N 2 2 345.487 1.424 20 0 EDADLP CN1CCO[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@H]21 ZINC000420968113 446939940 /nfs/dbraw/zinc/93/99/40/446939940.db2.gz VKOYVYYQZJGSMK-UXHICEINSA-N 2 2 345.487 1.424 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(COC3C[NH2+]C3)n2)c1 ZINC000442751381 446951168 /nfs/dbraw/zinc/95/11/68/446951168.db2.gz PSPBIYAZGKESSX-UHFFFAOYSA-N 2 2 330.388 1.057 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(OC)nn3)CC2)CC1 ZINC000420985860 446962189 /nfs/dbraw/zinc/96/21/89/446962189.db2.gz WZZFRTFWCPPEHG-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(OC)nn3)CC2)CC1 ZINC000420985860 446962194 /nfs/dbraw/zinc/96/21/94/446962194.db2.gz WZZFRTFWCPPEHG-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(OC)nn3)CC2)CC1 ZINC000420985860 446962196 /nfs/dbraw/zinc/96/21/96/446962196.db2.gz WZZFRTFWCPPEHG-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(OC)nn3)CC2)CC1 ZINC000420985860 446962202 /nfs/dbraw/zinc/96/22/02/446962202.db2.gz WZZFRTFWCPPEHG-UHFFFAOYSA-N 2 2 333.480 1.477 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000371833091 446969024 /nfs/dbraw/zinc/96/90/24/446969024.db2.gz VBCRMRLIZZVJCL-ZWKOTPCHSA-N 2 2 330.476 1.989 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000371833091 446969027 /nfs/dbraw/zinc/96/90/27/446969027.db2.gz VBCRMRLIZZVJCL-ZWKOTPCHSA-N 2 2 330.476 1.989 20 0 EDADLP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000371833091 446969031 /nfs/dbraw/zinc/96/90/31/446969031.db2.gz VBCRMRLIZZVJCL-ZWKOTPCHSA-N 2 2 330.476 1.989 20 0 EDADLP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000371833091 446969035 /nfs/dbraw/zinc/96/90/35/446969035.db2.gz VBCRMRLIZZVJCL-ZWKOTPCHSA-N 2 2 330.476 1.989 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000371833089 446969142 /nfs/dbraw/zinc/96/91/42/446969142.db2.gz VBCRMRLIZZVJCL-QZTJIDSGSA-N 2 2 330.476 1.989 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000371833089 446969146 /nfs/dbraw/zinc/96/91/46/446969146.db2.gz VBCRMRLIZZVJCL-QZTJIDSGSA-N 2 2 330.476 1.989 20 0 EDADLP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000371833089 446969151 /nfs/dbraw/zinc/96/91/51/446969151.db2.gz VBCRMRLIZZVJCL-QZTJIDSGSA-N 2 2 330.476 1.989 20 0 EDADLP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000371833089 446969156 /nfs/dbraw/zinc/96/91/56/446969156.db2.gz VBCRMRLIZZVJCL-QZTJIDSGSA-N 2 2 330.476 1.989 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc4c3OC(=O)C4)C2)CC1 ZINC000375748056 447019141 /nfs/dbraw/zinc/01/91/41/447019141.db2.gz XJZKRMUIVCDZCS-AWEZNQCLSA-N 2 2 343.427 1.046 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc4c3OC(=O)C4)C2)CC1 ZINC000375748056 447019146 /nfs/dbraw/zinc/01/91/46/447019146.db2.gz XJZKRMUIVCDZCS-AWEZNQCLSA-N 2 2 343.427 1.046 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442918796 446993446 /nfs/dbraw/zinc/99/34/46/446993446.db2.gz KIHYHWDMVWONAP-INIZCTEOSA-N 2 2 348.472 1.694 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442918796 446993449 /nfs/dbraw/zinc/99/34/49/446993449.db2.gz KIHYHWDMVWONAP-INIZCTEOSA-N 2 2 348.472 1.694 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000413185307 447056350 /nfs/dbraw/zinc/05/63/50/447056350.db2.gz MFDOPBCUNTUSAF-QKPAOTATSA-N 2 2 333.480 1.824 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000413185307 447056359 /nfs/dbraw/zinc/05/63/59/447056359.db2.gz MFDOPBCUNTUSAF-QKPAOTATSA-N 2 2 333.480 1.824 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425329789 447119331 /nfs/dbraw/zinc/11/93/31/447119331.db2.gz ANDMDNAVTNWPGP-UHFFFAOYSA-N 2 2 345.495 1.154 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368807140 447121690 /nfs/dbraw/zinc/12/16/90/447121690.db2.gz QXJCAENZJYITDO-HNNXBMFYSA-N 2 2 337.468 1.055 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368807140 447121696 /nfs/dbraw/zinc/12/16/96/447121696.db2.gz QXJCAENZJYITDO-HNNXBMFYSA-N 2 2 337.468 1.055 20 0 EDADLP Cc1cc(N(C)C2CC[NH+](CC(=O)N3CCCC3)CC2)nc(C)[nH+]1 ZINC000372488611 447082893 /nfs/dbraw/zinc/08/28/93/447082893.db2.gz AOJNLFJFQUDSMN-UHFFFAOYSA-N 2 2 331.464 1.616 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccc(OC)cc3)CC2)C1 ZINC000377371900 447094474 /nfs/dbraw/zinc/09/44/74/447094474.db2.gz FZMZKKYJAOHRAD-HXUWFJFHSA-N 2 2 347.503 1.576 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccc(OC)cc3)CC2)C1 ZINC000377371900 447094478 /nfs/dbraw/zinc/09/44/78/447094478.db2.gz FZMZKKYJAOHRAD-HXUWFJFHSA-N 2 2 347.503 1.576 20 0 EDADLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nnc1C ZINC000444857198 447142548 /nfs/dbraw/zinc/14/25/48/447142548.db2.gz JBZTYEXPAKSRTN-UHFFFAOYSA-N 2 2 346.479 1.774 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000375958051 447174392 /nfs/dbraw/zinc/17/43/92/447174392.db2.gz ATMSVPIBSTZDMN-QGZVFWFLSA-N 3 2 345.491 1.288 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000375958051 447174399 /nfs/dbraw/zinc/17/43/99/447174399.db2.gz ATMSVPIBSTZDMN-QGZVFWFLSA-N 3 2 345.491 1.288 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000377545013 447195042 /nfs/dbraw/zinc/19/50/42/447195042.db2.gz PKMXCSCMVBAUGQ-KRWDZBQOSA-N 2 2 328.460 1.995 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000377545013 447195047 /nfs/dbraw/zinc/19/50/47/447195047.db2.gz PKMXCSCMVBAUGQ-KRWDZBQOSA-N 2 2 328.460 1.995 20 0 EDADLP Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000413527840 447205174 /nfs/dbraw/zinc/20/51/74/447205174.db2.gz BYYSHWFEJSHJNO-AWEZNQCLSA-N 2 2 326.448 1.957 20 0 EDADLP Cc1nc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000413527840 447205180 /nfs/dbraw/zinc/20/51/80/447205180.db2.gz BYYSHWFEJSHJNO-AWEZNQCLSA-N 2 2 326.448 1.957 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+]([C@@H](C)c3nnnn3C3CC3)CC2)CC1 ZINC000372815911 447299050 /nfs/dbraw/zinc/29/90/50/447299050.db2.gz QWVCPNZPLJTLSD-HNNXBMFYSA-N 2 2 347.511 1.561 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369033359 447279402 /nfs/dbraw/zinc/27/94/02/447279402.db2.gz ZXCIZFCWNGCJMP-KGLIPLIRSA-N 2 2 335.452 1.878 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369033359 447279406 /nfs/dbraw/zinc/27/94/06/447279406.db2.gz ZXCIZFCWNGCJMP-KGLIPLIRSA-N 2 2 335.452 1.878 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCn3cccn3)CC2)CC1 ZINC000422002454 447303429 /nfs/dbraw/zinc/30/34/29/447303429.db2.gz BBGGNRRCXFLEAK-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCn3cccn3)CC2)CC1 ZINC000422002454 447303433 /nfs/dbraw/zinc/30/34/33/447303433.db2.gz BBGGNRRCXFLEAK-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390884372 447504329 /nfs/dbraw/zinc/50/43/29/447504329.db2.gz VDODGLIGALKYCA-ICSRJNTNSA-N 3 2 346.519 1.161 20 0 EDADLP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400320136 447571403 /nfs/dbraw/zinc/57/14/03/447571403.db2.gz BLAVKNKATFVKBY-GJZGRUSLSA-N 2 2 329.485 1.800 20 0 EDADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400320136 447571411 /nfs/dbraw/zinc/57/14/11/447571411.db2.gz BLAVKNKATFVKBY-GJZGRUSLSA-N 2 2 329.485 1.800 20 0 EDADLP CC(=O)[C@@](C)(O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000450982904 447642622 /nfs/dbraw/zinc/64/26/22/447642622.db2.gz OBEKWZQTMCOJPB-PMACEKPBSA-N 2 2 345.487 1.219 20 0 EDADLP CC(=O)[C@@](C)(O)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450982904 447642626 /nfs/dbraw/zinc/64/26/26/447642626.db2.gz OBEKWZQTMCOJPB-PMACEKPBSA-N 2 2 345.487 1.219 20 0 EDADLP C[C@@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000495841255 447605785 /nfs/dbraw/zinc/60/57/85/447605785.db2.gz OZUGDNSSQBWNAF-NFOMZHRRSA-N 2 2 327.469 1.600 20 0 EDADLP CCO[C@@H]1CN(c2[nH+]cnc3c2cnn3-c2ccccc2)C[C@H]1C[NH3+] ZINC000405758262 447612011 /nfs/dbraw/zinc/61/20/11/447612011.db2.gz GBTOIBAZHHMDGX-CZUORRHYSA-N 2 2 338.415 1.616 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000457658640 447612997 /nfs/dbraw/zinc/61/29/97/447612997.db2.gz XEPITMGFNMVWHC-UHFFFAOYSA-N 2 2 345.447 1.402 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000459259351 447624086 /nfs/dbraw/zinc/62/40/86/447624086.db2.gz KHNXSPBNQHYBDQ-IAGOWNOFSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000459259351 447624091 /nfs/dbraw/zinc/62/40/91/447624091.db2.gz KHNXSPBNQHYBDQ-IAGOWNOFSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416909809 447705334 /nfs/dbraw/zinc/70/53/34/447705334.db2.gz QVWXDKAGGAYDEA-CZUORRHYSA-N 2 2 345.447 1.673 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@H]1C[NH3+])c1ccccc1F ZINC000416911535 447706392 /nfs/dbraw/zinc/70/63/92/447706392.db2.gz MQUQSXDFFDFBEG-SWLSCSKDSA-N 2 2 331.395 1.781 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000422586715 447654898 /nfs/dbraw/zinc/65/48/98/447654898.db2.gz GFUCOLYOMCZLNR-BBRMVZONSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc(C)[nH+]1 ZINC000422586715 447654902 /nfs/dbraw/zinc/65/49/02/447654902.db2.gz GFUCOLYOMCZLNR-BBRMVZONSA-N 2 2 346.475 1.551 20 0 EDADLP CC(C)(CC[NH3+])NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000422589378 447658318 /nfs/dbraw/zinc/65/83/18/447658318.db2.gz JFJNFQUESFFXMQ-ZDUSSCGKSA-N 2 2 340.493 1.548 20 0 EDADLP [NH3+][C@@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000420220159 447675365 /nfs/dbraw/zinc/67/53/65/447675365.db2.gz PJAPETLRXPRQIL-HOCLYGCPSA-N 2 2 327.432 1.797 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416803488 447687718 /nfs/dbraw/zinc/68/77/18/447687718.db2.gz CHITYCYAGCUCNE-QGZVFWFLSA-N 2 2 348.491 1.704 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416803488 447687721 /nfs/dbraw/zinc/68/77/21/447687721.db2.gz CHITYCYAGCUCNE-QGZVFWFLSA-N 2 2 348.491 1.704 20 0 EDADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000410450027 447690140 /nfs/dbraw/zinc/69/01/40/447690140.db2.gz PMUATZOPJLJUFL-HUUCEWRRSA-N 2 2 347.463 1.262 20 0 EDADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC[N@H+]1C ZINC000410450027 447690142 /nfs/dbraw/zinc/69/01/42/447690142.db2.gz PMUATZOPJLJUFL-HUUCEWRRSA-N 2 2 347.463 1.262 20 0 EDADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422833932 447763393 /nfs/dbraw/zinc/76/33/93/447763393.db2.gz ZESWQGJRAOFXJM-RBUKOAKNSA-N 3 2 333.476 1.484 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458135524 447724837 /nfs/dbraw/zinc/72/48/37/447724837.db2.gz SLEIRKDYEQFVPZ-CALCHBBNSA-N 2 2 338.496 1.271 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458135524 447724846 /nfs/dbraw/zinc/72/48/46/447724846.db2.gz SLEIRKDYEQFVPZ-CALCHBBNSA-N 2 2 338.496 1.271 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000422729027 447730886 /nfs/dbraw/zinc/73/08/86/447730886.db2.gz HDYQCCZRPUVGQI-KRWDZBQOSA-N 2 2 334.464 1.178 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000422729027 447730891 /nfs/dbraw/zinc/73/08/91/447730891.db2.gz HDYQCCZRPUVGQI-KRWDZBQOSA-N 2 2 334.464 1.178 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@H]1CCC[NH2+]1 ZINC000422732006 447731915 /nfs/dbraw/zinc/73/19/15/447731915.db2.gz NAHUVKKLMFTVDQ-WMLDXEAASA-N 2 2 327.432 1.752 20 0 EDADLP O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422736691 447733207 /nfs/dbraw/zinc/73/32/07/447733207.db2.gz YPHCQYOPQLCUBM-SFHVURJKSA-N 2 2 346.475 1.178 20 0 EDADLP O=C(NCCC[NH2+]Cc1cccnc1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422736691 447733212 /nfs/dbraw/zinc/73/32/12/447733212.db2.gz YPHCQYOPQLCUBM-SFHVURJKSA-N 2 2 346.475 1.178 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417267141 447741012 /nfs/dbraw/zinc/74/10/12/447741012.db2.gz GPWKXZZQSSBLNN-KRWDZBQOSA-N 2 2 331.395 1.892 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766274 447744164 /nfs/dbraw/zinc/74/41/64/447744164.db2.gz LSASWJJMCVYGHS-BRSBDYLESA-N 3 2 325.497 1.090 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766274 447744169 /nfs/dbraw/zinc/74/41/69/447744169.db2.gz LSASWJJMCVYGHS-BRSBDYLESA-N 3 2 325.497 1.090 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000422766759 447744827 /nfs/dbraw/zinc/74/48/27/447744827.db2.gz MIPYAGYFKMWBHJ-APWZRJJASA-N 3 2 333.476 1.375 20 0 EDADLP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000422766759 447744831 /nfs/dbraw/zinc/74/48/31/447744831.db2.gz MIPYAGYFKMWBHJ-APWZRJJASA-N 2 2 333.476 1.375 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000496252715 447749429 /nfs/dbraw/zinc/74/94/29/447749429.db2.gz HMKAGNANTYZRLI-CQSZACIVSA-N 2 2 329.485 1.726 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000496252715 447749433 /nfs/dbraw/zinc/74/94/33/447749433.db2.gz HMKAGNANTYZRLI-CQSZACIVSA-N 2 2 329.485 1.726 20 0 EDADLP Cc1ccc([C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)N2CCOCC2)o1 ZINC000422791797 447751263 /nfs/dbraw/zinc/75/12/63/447751263.db2.gz DFHPZBGHTPKONT-UHOSZYNNSA-N 2 2 349.475 1.318 20 0 EDADLP CCOc1c(OC)cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1OC ZINC000422840239 447765868 /nfs/dbraw/zinc/76/58/68/447765868.db2.gz SKFADPOZTSITIN-DZGCQCFKSA-N 2 2 338.448 1.959 20 0 EDADLP c1ncn(Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000422822696 447759850 /nfs/dbraw/zinc/75/98/50/447759850.db2.gz BMHOEUNRSPQCIH-MSOLQXFVSA-N 2 2 327.432 1.183 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000458319122 447768353 /nfs/dbraw/zinc/76/83/53/447768353.db2.gz UWUUIKWXWUANHG-ARFHVFGLSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422847495 447768837 /nfs/dbraw/zinc/76/88/37/447768837.db2.gz RKYAXDFFBHDLDL-HKUYNNGSSA-N 2 2 344.503 1.846 20 0 EDADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000422960608 447781461 /nfs/dbraw/zinc/78/14/61/447781461.db2.gz WYWNIQGHPPQHTL-IUKJFTNHSA-N 2 2 334.464 1.859 20 0 EDADLP C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CC[NH2+]CC1 ZINC000430594702 447782648 /nfs/dbraw/zinc/78/26/48/447782648.db2.gz SDXIQRFTVFVXJO-UHFFFAOYSA-N 2 2 327.450 1.248 20 0 EDADLP C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CC[NH2+]CC1 ZINC000430594702 447782651 /nfs/dbraw/zinc/78/26/51/447782651.db2.gz SDXIQRFTVFVXJO-UHFFFAOYSA-N 2 2 327.450 1.248 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)cc(C)[nH+]1 ZINC000422966981 447783394 /nfs/dbraw/zinc/78/33/94/447783394.db2.gz AZXJVXQBOJAIFA-UHFFFAOYSA-N 2 2 332.448 1.483 20 0 EDADLP c1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(OC2CCOCC2)n1 ZINC000422974210 447785323 /nfs/dbraw/zinc/78/53/23/447785323.db2.gz DLQYGBWUGXDJSS-IEBWSBKVSA-N 2 2 347.459 1.496 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CC[C@H](COC(F)F)C1)C[NH+]1CCC2CC1 ZINC000496485596 447790153 /nfs/dbraw/zinc/79/01/53/447790153.db2.gz HTSHEZXDJJWOCL-BLLLJJGKSA-N 2 2 345.390 1.422 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@H](COC(F)F)C1)C[NH+]1CCC2CC1 ZINC000496485596 447790157 /nfs/dbraw/zinc/79/01/57/447790157.db2.gz HTSHEZXDJJWOCL-BLLLJJGKSA-N 2 2 345.390 1.422 20 0 EDADLP COCCn1cc2c(n1)[C@H]([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)CCC2 ZINC000423038228 447796492 /nfs/dbraw/zinc/79/64/92/447796492.db2.gz OABNSORKRNJDGM-SOLBZPMBSA-N 2 2 334.464 1.264 20 0 EDADLP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@@H+]1C ZINC000488611898 447849291 /nfs/dbraw/zinc/84/92/91/447849291.db2.gz RVKQXXAZWVPZQL-QGZVFWFLSA-N 2 2 344.459 1.369 20 0 EDADLP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)CC[N@H+]1C ZINC000488611898 447849292 /nfs/dbraw/zinc/84/92/92/447849292.db2.gz RVKQXXAZWVPZQL-QGZVFWFLSA-N 2 2 344.459 1.369 20 0 EDADLP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC[NH+]1C ZINC000488611898 447849293 /nfs/dbraw/zinc/84/92/93/447849293.db2.gz RVKQXXAZWVPZQL-QGZVFWFLSA-N 2 2 344.459 1.369 20 0 EDADLP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC[NH+]1C ZINC000488611898 447849294 /nfs/dbraw/zinc/84/92/94/447849294.db2.gz RVKQXXAZWVPZQL-QGZVFWFLSA-N 2 2 344.459 1.369 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000497135603 447881554 /nfs/dbraw/zinc/88/15/54/447881554.db2.gz VMVLDBFVXZUPPJ-UMVBOHGHSA-N 2 2 327.469 1.429 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000497135603 447881557 /nfs/dbraw/zinc/88/15/57/447881557.db2.gz VMVLDBFVXZUPPJ-UMVBOHGHSA-N 2 2 327.469 1.429 20 0 EDADLP COc1cc2c(cc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)O[C@@H](C)C2 ZINC000575741232 447886423 /nfs/dbraw/zinc/88/64/23/447886423.db2.gz TYLBDLPCLYITRN-YXKWSERDSA-N 2 2 332.444 1.875 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[NH+]2CCOCC2)cc1 ZINC000523649181 447895701 /nfs/dbraw/zinc/89/57/01/447895701.db2.gz YINAGVJEXCNROO-QZTJIDSGSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[NH+]2CCOCC2)cc1 ZINC000523649181 447895703 /nfs/dbraw/zinc/89/57/03/447895703.db2.gz YINAGVJEXCNROO-QZTJIDSGSA-N 2 2 331.460 1.436 20 0 EDADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523754816 447906593 /nfs/dbraw/zinc/90/65/93/447906593.db2.gz ANWHNVOWZBIBLB-UHFFFAOYSA-N 2 2 348.410 1.450 20 0 EDADLP O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523754816 447906594 /nfs/dbraw/zinc/90/65/94/447906594.db2.gz ANWHNVOWZBIBLB-UHFFFAOYSA-N 2 2 348.410 1.450 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523778152 447906605 /nfs/dbraw/zinc/90/66/05/447906605.db2.gz VGLMKRNRVCQFKM-UONOGXRCSA-N 2 2 328.420 1.513 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523778152 447906607 /nfs/dbraw/zinc/90/66/07/447906607.db2.gz VGLMKRNRVCQFKM-UONOGXRCSA-N 2 2 328.420 1.513 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C)o1 ZINC000523856271 447909032 /nfs/dbraw/zinc/90/90/32/447909032.db2.gz KMXOOMYHEYYSHR-QGZVFWFLSA-N 2 2 349.475 1.977 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)o1 ZINC000523856271 447909037 /nfs/dbraw/zinc/90/90/37/447909037.db2.gz KMXOOMYHEYYSHR-QGZVFWFLSA-N 2 2 349.475 1.977 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)n1C ZINC000570203578 447964299 /nfs/dbraw/zinc/96/42/99/447964299.db2.gz FWCKHTFVMUXUGW-LBPRGKRZSA-N 2 2 334.445 1.147 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000576000239 447947610 /nfs/dbraw/zinc/94/76/10/447947610.db2.gz YNYMLETWIZTZOE-WBVHZDCISA-N 2 2 338.448 1.342 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000576000239 447947613 /nfs/dbraw/zinc/94/76/13/447947613.db2.gz YNYMLETWIZTZOE-WBVHZDCISA-N 2 2 338.448 1.342 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000569943234 447925261 /nfs/dbraw/zinc/92/52/61/447925261.db2.gz LLURDPMHERHMPB-MRXNPFEDSA-N 2 2 333.476 1.979 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000569943234 447925269 /nfs/dbraw/zinc/92/52/69/447925269.db2.gz LLURDPMHERHMPB-MRXNPFEDSA-N 2 2 333.476 1.979 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000569947975 447926220 /nfs/dbraw/zinc/92/62/20/447926220.db2.gz QKDZJFUBSIRCJC-BZUAXINKSA-N 3 2 339.528 1.027 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000569947975 447926226 /nfs/dbraw/zinc/92/62/26/447926226.db2.gz QKDZJFUBSIRCJC-BZUAXINKSA-N 3 2 339.528 1.027 20 0 EDADLP C[C@H](c1ccccc1Br)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570412228 448008517 /nfs/dbraw/zinc/00/85/17/448008517.db2.gz VYTIJQWJOCKPDL-UHIISALHSA-N 2 2 338.249 1.754 20 0 EDADLP C[C@H](c1ccccc1Br)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570412228 448008521 /nfs/dbraw/zinc/00/85/21/448008521.db2.gz VYTIJQWJOCKPDL-UHIISALHSA-N 2 2 338.249 1.754 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C2 ZINC000526003381 448076998 /nfs/dbraw/zinc/07/69/98/448076998.db2.gz WAXZDHIOMGBZEY-UONOGXRCSA-N 2 2 333.480 1.000 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC000526003381 448077001 /nfs/dbraw/zinc/07/70/01/448077001.db2.gz WAXZDHIOMGBZEY-UONOGXRCSA-N 2 2 333.480 1.000 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC000526003381 448077003 /nfs/dbraw/zinc/07/70/03/448077003.db2.gz WAXZDHIOMGBZEY-UONOGXRCSA-N 2 2 333.480 1.000 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC000526003381 448077006 /nfs/dbraw/zinc/07/70/06/448077006.db2.gz WAXZDHIOMGBZEY-UONOGXRCSA-N 2 2 333.480 1.000 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1)[NH+]1CCOCC1 ZINC000531439968 448085347 /nfs/dbraw/zinc/08/53/47/448085347.db2.gz KITTVPKWOJKAHY-QGZVFWFLSA-N 2 2 346.475 1.446 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1)[NH+]1CCOCC1 ZINC000531439968 448085354 /nfs/dbraw/zinc/08/53/54/448085354.db2.gz KITTVPKWOJKAHY-QGZVFWFLSA-N 2 2 346.475 1.446 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000555808484 448092459 /nfs/dbraw/zinc/09/24/59/448092459.db2.gz YYHQZSKSXAZFDM-UXLLHSPISA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000555808484 448092466 /nfs/dbraw/zinc/09/24/66/448092466.db2.gz YYHQZSKSXAZFDM-UXLLHSPISA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000497050551 448157482 /nfs/dbraw/zinc/15/74/82/448157482.db2.gz SWIHBWCUKJPXPV-YZVOILCLSA-N 2 2 347.507 1.792 20 0 EDADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000497050551 448157484 /nfs/dbraw/zinc/15/74/84/448157484.db2.gz SWIHBWCUKJPXPV-YZVOILCLSA-N 2 2 347.507 1.792 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000576688399 448113820 /nfs/dbraw/zinc/11/38/20/448113820.db2.gz ZGKWJQRTJDMZED-CVEARBPZSA-N 2 2 331.464 1.902 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)C[N@@H+]1C1CC1 ZINC000556680972 448130078 /nfs/dbraw/zinc/13/00/78/448130078.db2.gz XOACTMKMGHPEJD-XJIUQZFPSA-N 2 2 331.464 1.154 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)C[N@H+]1C1CC1 ZINC000556680972 448130083 /nfs/dbraw/zinc/13/00/83/448130083.db2.gz XOACTMKMGHPEJD-XJIUQZFPSA-N 2 2 331.464 1.154 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](CCc3nnnn3-c3ccccc3)CC2)c1 ZINC000531727364 448132898 /nfs/dbraw/zinc/13/28/98/448132898.db2.gz JMCKXKBCGZKSEC-UHFFFAOYSA-N 2 2 349.442 1.730 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H](Cc2ccccc2)[NH+](C)C)no1 ZINC000556945240 448173686 /nfs/dbraw/zinc/17/36/86/448173686.db2.gz IOBBJRLYNBIJAH-MRXNPFEDSA-N 2 2 330.432 2.074 20 0 EDADLP CCOC(=O)[C@@H]1[C@H]([NH2+]CC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000497093145 448193278 /nfs/dbraw/zinc/19/32/78/448193278.db2.gz JTPMOWSWPBTXBR-OLZOCXBDSA-N 2 2 329.441 1.079 20 0 EDADLP CCc1cc(NC[C@H](O)CN(C)c2cc(CC)[nH+]c(C)n2)nc(C)[nH+]1 ZINC000559356105 448208392 /nfs/dbraw/zinc/20/83/92/448208392.db2.gz KCLVWAMZSJQDBR-INIZCTEOSA-N 2 2 344.463 1.917 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000514933851 448226959 /nfs/dbraw/zinc/22/69/59/448226959.db2.gz ATLASFPBVSWTSD-INIZCTEOSA-N 2 2 349.475 1.402 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000515003867 448239883 /nfs/dbraw/zinc/23/98/83/448239883.db2.gz GLILSZZFFJDEDM-DLBZAZTESA-N 2 2 346.475 1.152 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCO1 ZINC000515003867 448239885 /nfs/dbraw/zinc/23/98/85/448239885.db2.gz GLILSZZFFJDEDM-DLBZAZTESA-N 2 2 346.475 1.152 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000571856919 448217335 /nfs/dbraw/zinc/21/73/35/448217335.db2.gz QKQFHLTZWNXAPS-HNNXBMFYSA-N 2 2 332.448 1.691 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000571856919 448217341 /nfs/dbraw/zinc/21/73/41/448217341.db2.gz QKQFHLTZWNXAPS-HNNXBMFYSA-N 2 2 332.448 1.691 20 0 EDADLP CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000515009583 448241684 /nfs/dbraw/zinc/24/16/84/448241684.db2.gz NVEBYLSSRHSZIS-GXTWGEPZSA-N 2 2 341.415 1.472 20 0 EDADLP CNC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000515009583 448241691 /nfs/dbraw/zinc/24/16/91/448241691.db2.gz NVEBYLSSRHSZIS-GXTWGEPZSA-N 2 2 341.415 1.472 20 0 EDADLP Cc1cccn2cc(CC(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000572182453 448310811 /nfs/dbraw/zinc/31/08/11/448310811.db2.gz XWYWXMZSOPUSOA-IYBDPMFKSA-N 2 2 344.459 1.753 20 0 EDADLP Cc1cccn2cc(CC(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000572182453 448310816 /nfs/dbraw/zinc/31/08/16/448310816.db2.gz XWYWXMZSOPUSOA-IYBDPMFKSA-N 2 2 344.459 1.753 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NCC[N@H+]3CCOC[C@H]3C)CC2)[nH+]c1 ZINC000591230477 448295758 /nfs/dbraw/zinc/29/57/58/448295758.db2.gz YXUVZOOJVSAXNB-MRXNPFEDSA-N 2 2 346.475 1.443 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NCC[N@@H+]3CCOC[C@H]3C)CC2)[nH+]c1 ZINC000591230477 448295759 /nfs/dbraw/zinc/29/57/59/448295759.db2.gz YXUVZOOJVSAXNB-MRXNPFEDSA-N 2 2 346.475 1.443 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[C@@]3(CC[N@@H+](C)C3)C1)CCC2 ZINC000577566746 448326556 /nfs/dbraw/zinc/32/65/56/448326556.db2.gz LHUQOXBVLXBWKE-CRAIPNDOSA-N 2 2 331.464 1.806 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[C@@]3(CC[N@H+](C)C3)C1)CCC2 ZINC000577566746 448326560 /nfs/dbraw/zinc/32/65/60/448326560.db2.gz LHUQOXBVLXBWKE-CRAIPNDOSA-N 2 2 331.464 1.806 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000493050700 448357343 /nfs/dbraw/zinc/35/73/43/448357343.db2.gz OKNCIDBDVDKSKC-FWWRYZNZSA-N 2 2 338.249 1.564 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000493050700 448357350 /nfs/dbraw/zinc/35/73/50/448357350.db2.gz OKNCIDBDVDKSKC-FWWRYZNZSA-N 2 2 338.249 1.564 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000516185076 448394294 /nfs/dbraw/zinc/39/42/94/448394294.db2.gz QEXJDNGZXFLJOW-MJGOQNOKSA-N 2 2 333.476 1.820 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000516185076 448394300 /nfs/dbraw/zinc/39/43/00/448394300.db2.gz QEXJDNGZXFLJOW-MJGOQNOKSA-N 2 2 333.476 1.820 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)ccc2n1C1CC1 ZINC000516196199 448396908 /nfs/dbraw/zinc/39/69/08/448396908.db2.gz QROUJZOTYUDNHE-QGZVFWFLSA-N 2 2 342.443 1.880 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)ccc2n1C1CC1 ZINC000516196199 448396909 /nfs/dbraw/zinc/39/69/09/448396909.db2.gz QROUJZOTYUDNHE-QGZVFWFLSA-N 2 2 342.443 1.880 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)c2[nH+]ccn2C)cc1 ZINC000566171744 448404006 /nfs/dbraw/zinc/40/40/06/448404006.db2.gz ZGVNAFZYCINYTA-RCBQFDQVSA-N 2 2 328.416 1.632 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN(c3[nH]cc[nH+]3)CC1)C2 ZINC000572540876 448405291 /nfs/dbraw/zinc/40/52/91/448405291.db2.gz LUTZGCXRSHALPQ-CYBMUJFWSA-N 2 2 342.447 1.710 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN(c3[nH]cc[nH+]3)CC1)CC2 ZINC000572540876 448405296 /nfs/dbraw/zinc/40/52/96/448405296.db2.gz LUTZGCXRSHALPQ-CYBMUJFWSA-N 2 2 342.447 1.710 20 0 EDADLP COc1ccc2cccc(CC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2c1 ZINC000566200279 448413914 /nfs/dbraw/zinc/41/39/14/448413914.db2.gz JIAWREIOQXOZHV-INIZCTEOSA-N 2 2 327.428 1.492 20 0 EDADLP COc1ccc2cccc(CC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2c1 ZINC000566200279 448413920 /nfs/dbraw/zinc/41/39/20/448413920.db2.gz JIAWREIOQXOZHV-INIZCTEOSA-N 2 2 327.428 1.492 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCn3cccn3)CC2)CC1 ZINC000577739197 448373861 /nfs/dbraw/zinc/37/38/61/448373861.db2.gz QLWZHJNPSYPBPK-UHFFFAOYSA-N 2 2 348.495 1.085 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCn3cccn3)CC2)CC1 ZINC000577739197 448373866 /nfs/dbraw/zinc/37/38/66/448373866.db2.gz QLWZHJNPSYPBPK-UHFFFAOYSA-N 2 2 348.495 1.085 20 0 EDADLP COc1cc(C)nc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000533832315 448424809 /nfs/dbraw/zinc/42/48/09/448424809.db2.gz LFSBARMBKSBNIA-GOSISDBHSA-N 2 2 332.492 1.999 20 0 EDADLP COc1cc(C)nc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000533832315 448424815 /nfs/dbraw/zinc/42/48/15/448424815.db2.gz LFSBARMBKSBNIA-GOSISDBHSA-N 2 2 332.492 1.999 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000533832315 448424818 /nfs/dbraw/zinc/42/48/18/448424818.db2.gz LFSBARMBKSBNIA-GOSISDBHSA-N 2 2 332.492 1.999 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc[nH+]c2ccncc12 ZINC000528135758 448442252 /nfs/dbraw/zinc/44/22/52/448442252.db2.gz YYOOOXLTSLXDPC-GOSISDBHSA-N 2 2 328.416 1.079 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc[nH+]c2ccncc12 ZINC000528135758 448442258 /nfs/dbraw/zinc/44/22/58/448442258.db2.gz YYOOOXLTSLXDPC-GOSISDBHSA-N 2 2 328.416 1.079 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000572821998 448471325 /nfs/dbraw/zinc/47/13/25/448471325.db2.gz WYWFFGZHFYLOAY-QGZVFWFLSA-N 2 2 340.512 1.395 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000572821998 448471330 /nfs/dbraw/zinc/47/13/30/448471330.db2.gz WYWFFGZHFYLOAY-QGZVFWFLSA-N 2 2 340.512 1.395 20 0 EDADLP CN(C(=O)NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000528292919 448479415 /nfs/dbraw/zinc/47/94/15/448479415.db2.gz HPBWWMZIVAUPIS-IKGGRYGDSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000528292919 448479418 /nfs/dbraw/zinc/47/94/18/448479418.db2.gz HPBWWMZIVAUPIS-IKGGRYGDSA-N 2 2 336.480 1.118 20 0 EDADLP CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000528292919 448479429 /nfs/dbraw/zinc/47/94/29/448479429.db2.gz HPBWWMZIVAUPIS-IKGGRYGDSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000584399913 448510725 /nfs/dbraw/zinc/51/07/25/448510725.db2.gz IFNSQZDWKONRJJ-RCCFBDPRSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000584399913 448510728 /nfs/dbraw/zinc/51/07/28/448510728.db2.gz IFNSQZDWKONRJJ-RCCFBDPRSA-N 2 2 346.475 1.439 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3([S@](C)=O)CC3)c2cc1C ZINC000572992906 448517212 /nfs/dbraw/zinc/51/72/12/448517212.db2.gz GFVVCGVUEGMWFH-FATZIPQQSA-N 2 2 335.473 1.515 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000528434251 448527896 /nfs/dbraw/zinc/52/78/96/448527896.db2.gz WMWIPXRKADFPRB-DNVCBOLYSA-N 2 2 335.467 1.776 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000528434251 448527900 /nfs/dbraw/zinc/52/79/00/448527900.db2.gz WMWIPXRKADFPRB-DNVCBOLYSA-N 2 2 335.467 1.776 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000517244966 448562467 /nfs/dbraw/zinc/56/24/67/448562467.db2.gz NDAINKRIYJBAEH-AWEZNQCLSA-N 2 2 342.447 1.052 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+](C2CC2)C1 ZINC000566897573 448579426 /nfs/dbraw/zinc/57/94/26/448579426.db2.gz SASMGRJVMGLXOY-ZDUSSCGKSA-N 2 2 341.415 1.216 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+](C2CC2)C1 ZINC000566897573 448579432 /nfs/dbraw/zinc/57/94/32/448579432.db2.gz SASMGRJVMGLXOY-ZDUSSCGKSA-N 2 2 341.415 1.216 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000536847864 448544377 /nfs/dbraw/zinc/54/43/77/448544377.db2.gz VXHXRBWGEHZYNO-BLLLJJGKSA-N 2 2 327.494 1.015 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000536847864 448544383 /nfs/dbraw/zinc/54/43/83/448544383.db2.gz VXHXRBWGEHZYNO-BLLLJJGKSA-N 2 2 327.494 1.015 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000578445667 448548375 /nfs/dbraw/zinc/54/83/75/448548375.db2.gz NHHATWGRKJRETM-BQFCYCMXSA-N 3 2 341.459 1.045 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000573281624 448586169 /nfs/dbraw/zinc/58/61/69/448586169.db2.gz FURNHJVETAGJRK-NVXWUHKLSA-N 2 2 347.507 1.398 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000573281624 448586173 /nfs/dbraw/zinc/58/61/73/448586173.db2.gz FURNHJVETAGJRK-NVXWUHKLSA-N 2 2 347.507 1.398 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1F ZINC000578615050 448593122 /nfs/dbraw/zinc/59/31/22/448593122.db2.gz TZIVVABDKCGQPW-AWEZNQCLSA-N 2 2 345.422 1.967 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1F ZINC000578615050 448593128 /nfs/dbraw/zinc/59/31/28/448593128.db2.gz TZIVVABDKCGQPW-AWEZNQCLSA-N 2 2 345.422 1.967 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CC([NH3+])C1 ZINC000573328210 448600653 /nfs/dbraw/zinc/60/06/53/448600653.db2.gz DBQAAOAJJYMJHG-UHFFFAOYSA-N 2 2 341.337 1.942 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CC([NH3+])C1 ZINC000573328210 448600655 /nfs/dbraw/zinc/60/06/55/448600655.db2.gz DBQAAOAJJYMJHG-UHFFFAOYSA-N 2 2 341.337 1.942 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)[C@H](C[NH3+])C1 ZINC000518339129 448666178 /nfs/dbraw/zinc/66/61/78/448666178.db2.gz LDSNETXTKDFOLD-NVXWUHKLSA-N 2 2 348.447 1.351 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)[C@H](C[NH3+])C1 ZINC000518339129 448666183 /nfs/dbraw/zinc/66/61/83/448666183.db2.gz LDSNETXTKDFOLD-NVXWUHKLSA-N 2 2 348.447 1.351 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000567406282 448688095 /nfs/dbraw/zinc/68/80/95/448688095.db2.gz HXXWHUDQGIGKQZ-UHFFFAOYSA-N 2 2 332.423 1.948 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CCC[N@H+]3C)c2)cc[nH+]1 ZINC000541730379 448689110 /nfs/dbraw/zinc/68/91/10/448689110.db2.gz MIGQVKUSCIEUNQ-KRWDZBQOSA-N 2 2 339.443 2.221 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)c2)cc[nH+]1 ZINC000541730379 448689115 /nfs/dbraw/zinc/68/91/15/448689115.db2.gz MIGQVKUSCIEUNQ-KRWDZBQOSA-N 2 2 339.443 2.221 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@@]4(C3)CCC[N@H+](C)C4)nc[nH+]2)C1 ZINC000573782022 448710142 /nfs/dbraw/zinc/71/01/42/448710142.db2.gz GURCGYLYPXQKID-BXWFABGCSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)nc[nH+]2)C1 ZINC000573782022 448710146 /nfs/dbraw/zinc/71/01/46/448710146.db2.gz GURCGYLYPXQKID-BXWFABGCSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@@]4(C3)CCC[N@H+](C)C4)[nH+]cn2)C1 ZINC000573782022 448710150 /nfs/dbraw/zinc/71/01/50/448710150.db2.gz GURCGYLYPXQKID-BXWFABGCSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)[nH+]cn2)C1 ZINC000573782022 448710155 /nfs/dbraw/zinc/71/01/55/448710155.db2.gz GURCGYLYPXQKID-BXWFABGCSA-N 2 2 345.491 1.606 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000567382340 448682374 /nfs/dbraw/zinc/68/23/74/448682374.db2.gz DAKCFAABGZDOEM-RRQGHBQHSA-N 2 2 333.432 1.395 20 0 EDADLP [NH3+][C@H](CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000567795210 448764550 /nfs/dbraw/zinc/76/45/50/448764550.db2.gz CKRVILBVCWPGAD-INIZCTEOSA-N 2 2 327.432 1.014 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cc2c[nH+]cn2C)c1 ZINC000579154868 448730132 /nfs/dbraw/zinc/73/01/32/448730132.db2.gz SQZJILFEWYXRTF-UHFFFAOYSA-N 2 2 343.431 1.882 20 0 EDADLP c1c[nH+]c(N2CCOCC2)c(CNc2nc(N3CCCC3)cc[nH+]2)c1 ZINC000592455847 448845770 /nfs/dbraw/zinc/84/57/70/448845770.db2.gz XRQZQWVFICSIAW-UHFFFAOYSA-N 2 2 340.431 1.921 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Oc3ccccn3)cc2)[C@@H](C[NH3+])C1 ZINC000568368789 448861422 /nfs/dbraw/zinc/86/14/22/448861422.db2.gz CEVYHOLUXZZYGC-HNNXBMFYSA-N 2 2 341.415 1.981 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(Oc3ccccn3)cc2)[C@@H](C[NH3+])C1 ZINC000568368789 448861425 /nfs/dbraw/zinc/86/14/25/448861425.db2.gz CEVYHOLUXZZYGC-HNNXBMFYSA-N 2 2 341.415 1.981 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000574392870 448862528 /nfs/dbraw/zinc/86/25/28/448862528.db2.gz JZSCGYROEWVAOK-BHIYHBOVSA-N 2 2 348.487 1.796 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000574392870 448862535 /nfs/dbraw/zinc/86/25/35/448862535.db2.gz JZSCGYROEWVAOK-BHIYHBOVSA-N 2 2 348.487 1.796 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1nccn1-c1ccccc1 ZINC000520547909 448909798 /nfs/dbraw/zinc/90/97/98/448909798.db2.gz UQQANOUSRJMISF-GOEBONIOSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1nccn1-c1ccccc1 ZINC000520547909 448909800 /nfs/dbraw/zinc/90/98/00/448909800.db2.gz UQQANOUSRJMISF-GOEBONIOSA-N 2 2 342.447 1.218 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000574585350 448910661 /nfs/dbraw/zinc/91/06/61/448910661.db2.gz YGZDVDMIMWCIPF-UHFFFAOYSA-N 2 2 343.479 2.038 20 0 EDADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579979164 448929053 /nfs/dbraw/zinc/92/90/53/448929053.db2.gz SFJACCRMXLJROD-HUUCEWRRSA-N 2 2 326.400 1.394 20 0 EDADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579979164 448929057 /nfs/dbraw/zinc/92/90/57/448929057.db2.gz SFJACCRMXLJROD-HUUCEWRRSA-N 2 2 326.400 1.394 20 0 EDADLP CN(C)[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000574804117 448959113 /nfs/dbraw/zinc/95/91/13/448959113.db2.gz XUPNSSNRYSJWIW-YOEHRIQHSA-N 2 2 325.884 1.987 20 0 EDADLP CN(C)[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804117 448959118 /nfs/dbraw/zinc/95/91/18/448959118.db2.gz XUPNSSNRYSJWIW-YOEHRIQHSA-N 2 2 325.884 1.987 20 0 EDADLP C[NH+](C)[C@@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804117 448959125 /nfs/dbraw/zinc/95/91/25/448959125.db2.gz XUPNSSNRYSJWIW-YOEHRIQHSA-N 2 2 325.884 1.987 20 0 EDADLP CCOc1ccccc1[C@@H](CC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569214720 448980631 /nfs/dbraw/zinc/98/06/31/448980631.db2.gz AQZSRXYDGQJCMR-GDBMZVCRSA-N 2 2 334.464 1.821 20 0 EDADLP CC(C)(C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1c[nH]c[nH+]1 ZINC000548088902 448981241 /nfs/dbraw/zinc/98/12/41/448981241.db2.gz KYEPLJHHPJGHDU-MRXNPFEDSA-N 2 2 342.443 1.570 20 0 EDADLP CC(C)(C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1c[nH]c[nH+]1 ZINC000548088902 448981246 /nfs/dbraw/zinc/98/12/46/448981246.db2.gz KYEPLJHHPJGHDU-MRXNPFEDSA-N 2 2 342.443 1.570 20 0 EDADLP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C[C@H](C)O1 ZINC000548192551 449002572 /nfs/dbraw/zinc/00/25/72/449002572.db2.gz KTDQISISJGDFFA-IYBDPMFKSA-N 2 2 348.491 1.701 20 0 EDADLP C[C@@H]1C[N@H+](CCC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C[C@H](C)O1 ZINC000548192551 449002576 /nfs/dbraw/zinc/00/25/76/449002576.db2.gz KTDQISISJGDFFA-IYBDPMFKSA-N 2 2 348.491 1.701 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccnc(OC(F)F)c2)C[C@@H](C)O1 ZINC000569333751 449004677 /nfs/dbraw/zinc/00/46/77/449004677.db2.gz TUNCTHCVWPLEFI-BZPMIXESSA-N 2 2 345.390 1.243 20 0 EDADLP Cc1ncncc1[C@@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000569500112 449035236 /nfs/dbraw/zinc/03/52/36/449035236.db2.gz ABHXFXSVYKKQRQ-HIFRSBDPSA-N 2 2 328.420 1.360 20 0 EDADLP Cc1cnc(CC[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cn1 ZINC000521863737 449020078 /nfs/dbraw/zinc/02/00/78/449020078.db2.gz DRZYXROPNCKATC-QGZVFWFLSA-N 2 2 339.443 1.945 20 0 EDADLP Cc1c[nH+]c(C)nc1NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000582311196 449064620 /nfs/dbraw/zinc/06/46/20/449064620.db2.gz FVUWYMPFCLKRLB-UHFFFAOYSA-N 2 2 339.443 2.093 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000530235480 449089367 /nfs/dbraw/zinc/08/93/67/449089367.db2.gz YUWDCQRGIQTRIF-OIISXLGYSA-N 2 2 338.473 1.389 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000530235480 449089371 /nfs/dbraw/zinc/08/93/71/449089371.db2.gz YUWDCQRGIQTRIF-OIISXLGYSA-N 2 2 338.473 1.389 20 0 EDADLP COC(=O)CSCc1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000593903445 449274186 /nfs/dbraw/zinc/27/41/86/449274186.db2.gz AVCKYNQLCAISNQ-AWEZNQCLSA-N 2 2 339.461 1.310 20 0 EDADLP Cc1cccn2cc(CN3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)[nH+]c12 ZINC000604388575 449223094 /nfs/dbraw/zinc/22/30/94/449223094.db2.gz JBJKKBVMMXZPCG-GOSISDBHSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1cccn2cc(CN3CCN([C@@H]4CCC[N@H+](C)C4)CC3)[nH+]c12 ZINC000604388575 449223097 /nfs/dbraw/zinc/22/30/97/449223097.db2.gz JBJKKBVMMXZPCG-GOSISDBHSA-N 2 2 327.476 1.855 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604389927 449223512 /nfs/dbraw/zinc/22/35/12/449223512.db2.gz ZBDIRGXFMAEZSR-PKOBYXMFSA-N 2 2 344.503 1.750 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389927 449223516 /nfs/dbraw/zinc/22/35/16/449223516.db2.gz ZBDIRGXFMAEZSR-PKOBYXMFSA-N 2 2 344.503 1.750 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)[nH+]c1 ZINC000590854698 449321526 /nfs/dbraw/zinc/32/15/26/449321526.db2.gz KDVSQSZJMSCVDN-INIZCTEOSA-N 2 2 342.447 2.435 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccn3cc(C)[nH+]c3c2)CC1 ZINC000602110419 449354039 /nfs/dbraw/zinc/35/40/39/449354039.db2.gz YETOASJTZXXDKR-CQSZACIVSA-N 2 2 344.415 1.352 20 0 EDADLP CCOC(=O)c1nccc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000596101006 449362149 /nfs/dbraw/zinc/36/21/49/449362149.db2.gz GYSFOMFGAJMHJA-UHFFFAOYSA-N 2 2 347.463 1.046 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000605876223 449417738 /nfs/dbraw/zinc/41/77/38/449417738.db2.gz DAOCFSRBCNKLGH-KRWDZBQOSA-N 2 2 332.448 1.022 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000605876223 449417741 /nfs/dbraw/zinc/41/77/41/449417741.db2.gz DAOCFSRBCNKLGH-KRWDZBQOSA-N 2 2 332.448 1.022 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3noc4c3CCCC4)C2)CC1 ZINC000602201950 449429775 /nfs/dbraw/zinc/42/97/75/449429775.db2.gz UVDCMDYFYPYKNK-CYBMUJFWSA-N 2 2 332.448 1.452 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3noc4c3CCCC4)C2)CC1 ZINC000602201950 449429779 /nfs/dbraw/zinc/42/97/79/449429779.db2.gz UVDCMDYFYPYKNK-CYBMUJFWSA-N 2 2 332.448 1.452 20 0 EDADLP CCc1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000602234468 449451168 /nfs/dbraw/zinc/45/11/68/449451168.db2.gz VIYUPWDQGPBWSC-AWEZNQCLSA-N 2 2 329.452 1.267 20 0 EDADLP CCc1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n2ncnc2n1 ZINC000602234468 449451174 /nfs/dbraw/zinc/45/11/74/449451174.db2.gz VIYUPWDQGPBWSC-AWEZNQCLSA-N 2 2 329.452 1.267 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000600709658 449509017 /nfs/dbraw/zinc/50/90/17/449509017.db2.gz PHOPXQJMKYUHEA-VNQPRFMTSA-N 2 2 339.480 1.297 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc(C)[nH+]1 ZINC000611989228 449509489 /nfs/dbraw/zinc/50/94/89/449509489.db2.gz SUUXVCHUVGFGGD-OAHLLOKOSA-N 2 2 332.448 1.304 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc(C)[nH+]1 ZINC000611989228 449509492 /nfs/dbraw/zinc/50/94/92/449509492.db2.gz SUUXVCHUVGFGGD-OAHLLOKOSA-N 2 2 332.448 1.304 20 0 EDADLP CSCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N(C)C ZINC000594522388 449561088 /nfs/dbraw/zinc/56/10/88/449561088.db2.gz LFCHUELYVSHPLZ-CABCVRRESA-N 2 2 329.510 1.039 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000617504453 449650987 /nfs/dbraw/zinc/65/09/87/449650987.db2.gz WVCLHEJSRQPQEL-AWEZNQCLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000617504453 449650993 /nfs/dbraw/zinc/65/09/93/449650993.db2.gz WVCLHEJSRQPQEL-AWEZNQCLSA-N 2 2 344.459 1.530 20 0 EDADLP Cn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C2CCCCC2)n1 ZINC000594738628 449658983 /nfs/dbraw/zinc/65/89/83/449658983.db2.gz IRBPISWGXHRIOJ-HZPDHXFCSA-N 2 2 331.464 1.212 20 0 EDADLP Cn1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C2CCCCC2)n1 ZINC000594738628 449658989 /nfs/dbraw/zinc/65/89/89/449658989.db2.gz IRBPISWGXHRIOJ-HZPDHXFCSA-N 2 2 331.464 1.212 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cn1 ZINC000607729343 449641133 /nfs/dbraw/zinc/64/11/33/449641133.db2.gz RWTFEACXFVTPQT-HOCLYGCPSA-N 2 2 328.420 1.449 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H](n4cc[nH+]c4)C3)C2=O)cn1 ZINC000607729343 449641138 /nfs/dbraw/zinc/64/11/38/449641138.db2.gz RWTFEACXFVTPQT-HOCLYGCPSA-N 2 2 328.420 1.449 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2ccccc2c1O ZINC000617504098 449647625 /nfs/dbraw/zinc/64/76/25/449647625.db2.gz HHTPIIUDWKPXRN-AWEZNQCLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cnc2ccccc2c1O ZINC000617504098 449647628 /nfs/dbraw/zinc/64/76/28/449647628.db2.gz HHTPIIUDWKPXRN-AWEZNQCLSA-N 2 2 344.459 1.530 20 0 EDADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCCn1cc[nH+]c1 ZINC000607837227 449648353 /nfs/dbraw/zinc/64/83/53/449648353.db2.gz QTEIIOPJZWOMDX-UHFFFAOYSA-N 2 2 329.404 1.463 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)c3[nH+]ccn3C)C2)CC1 ZINC000596931381 449723148 /nfs/dbraw/zinc/72/31/48/449723148.db2.gz LTYIVHRMYNGDLA-JKSUJKDBSA-N 2 2 348.495 1.291 20 0 EDADLP COC(=O)c1oc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000597059428 449789501 /nfs/dbraw/zinc/78/95/01/449789501.db2.gz RUZJVNRKHHQMIE-ZDUSSCGKSA-N 2 2 337.420 1.052 20 0 EDADLP COC(=O)c1oc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000597059428 449789504 /nfs/dbraw/zinc/78/95/04/449789504.db2.gz RUZJVNRKHHQMIE-ZDUSSCGKSA-N 2 2 337.420 1.052 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CCN2C1=O ZINC000594874962 449789730 /nfs/dbraw/zinc/78/97/30/449789730.db2.gz BFOOHVODNHLIMY-NVXWUHKLSA-N 2 2 338.411 1.618 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CCN2C1=O ZINC000594874962 449789735 /nfs/dbraw/zinc/78/97/35/449789735.db2.gz BFOOHVODNHLIMY-NVXWUHKLSA-N 2 2 338.411 1.618 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n1C ZINC000602710504 449763305 /nfs/dbraw/zinc/76/33/05/449763305.db2.gz LXHSDQHXSXYSGC-OAHLLOKOSA-N 2 2 335.448 1.498 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n1C ZINC000602710504 449763311 /nfs/dbraw/zinc/76/33/11/449763311.db2.gz LXHSDQHXSXYSGC-OAHLLOKOSA-N 2 2 335.448 1.498 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)CO1 ZINC000617738542 449804458 /nfs/dbraw/zinc/80/44/58/449804458.db2.gz QFJYCTVQNOCHBD-HOTGVXAUSA-N 2 2 342.443 1.770 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C)CO1 ZINC000617738542 449804464 /nfs/dbraw/zinc/80/44/64/449804464.db2.gz QFJYCTVQNOCHBD-HOTGVXAUSA-N 2 2 342.443 1.770 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2nccnc2cc1F ZINC000617764057 449823990 /nfs/dbraw/zinc/82/39/90/449823990.db2.gz HIHQODOSHNOSPJ-UHFFFAOYSA-N 2 2 333.411 1.382 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2nccnc2cc1F ZINC000617764057 449823993 /nfs/dbraw/zinc/82/39/93/449823993.db2.gz HIHQODOSHNOSPJ-UHFFFAOYSA-N 2 2 333.411 1.382 20 0 EDADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(-c2ccoc2)n1 ZINC000617764405 449824746 /nfs/dbraw/zinc/82/47/46/449824746.db2.gz VQJUXDICQHTFQG-UHFFFAOYSA-N 2 2 333.436 1.293 20 0 EDADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(-c2ccoc2)n1 ZINC000617764405 449824750 /nfs/dbraw/zinc/82/47/50/449824750.db2.gz VQJUXDICQHTFQG-UHFFFAOYSA-N 2 2 333.436 1.293 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnn1-c1ccccc1 ZINC000617763928 449825124 /nfs/dbraw/zinc/82/51/24/449825124.db2.gz BUZROPUMFNGOCX-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnn1-c1ccccc1 ZINC000617763928 449825131 /nfs/dbraw/zinc/82/51/31/449825131.db2.gz BUZROPUMFNGOCX-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000601316731 449826322 /nfs/dbraw/zinc/82/63/22/449826322.db2.gz LPBKUFPQSSSBKH-HNNXBMFYSA-N 2 2 348.495 1.213 20 0 EDADLP COc1ccc2c(c1)C=C(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CO2 ZINC000617765684 449827029 /nfs/dbraw/zinc/82/70/29/449827029.db2.gz MBANFDVRHMMMBD-UHFFFAOYSA-N 2 2 347.459 1.471 20 0 EDADLP COc1ccc2c(c1)C=C(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO2 ZINC000617765684 449827033 /nfs/dbraw/zinc/82/70/33/449827033.db2.gz MBANFDVRHMMMBD-UHFFFAOYSA-N 2 2 347.459 1.471 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2cnco2)cc1 ZINC000617767522 449830829 /nfs/dbraw/zinc/83/08/29/449830829.db2.gz YVKGDUNPNGFLIG-UHFFFAOYSA-N 2 2 330.432 1.955 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2cnco2)cc1 ZINC000617767522 449830835 /nfs/dbraw/zinc/83/08/35/449830835.db2.gz YVKGDUNPNGFLIG-UHFFFAOYSA-N 2 2 330.432 1.955 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334731 449843148 /nfs/dbraw/zinc/84/31/48/449843148.db2.gz MYDHFERORLNPLX-UGUYLWEFSA-N 2 2 336.480 1.465 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334731 449843152 /nfs/dbraw/zinc/84/31/52/449843152.db2.gz MYDHFERORLNPLX-UGUYLWEFSA-N 2 2 336.480 1.465 20 0 EDADLP COC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000608447493 449843072 /nfs/dbraw/zinc/84/30/72/449843072.db2.gz YVCFEVJEIJTTHI-GOEBONIOSA-N 2 2 326.485 1.125 20 0 EDADLP COC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000608447493 449843080 /nfs/dbraw/zinc/84/30/80/449843080.db2.gz YVCFEVJEIJTTHI-GOEBONIOSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCCC1 ZINC000617735645 449798138 /nfs/dbraw/zinc/79/81/38/449798138.db2.gz SCQMKGCZFYEXBZ-GVDBMIGSSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCCC1 ZINC000617735645 449798142 /nfs/dbraw/zinc/79/81/42/449798142.db2.gz SCQMKGCZFYEXBZ-GVDBMIGSSA-N 2 2 325.497 1.722 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC1 ZINC000597181875 449858504 /nfs/dbraw/zinc/85/85/04/449858504.db2.gz GUKVHTYOAVAOIH-CKNGIIGNSA-N 2 2 344.521 1.683 20 0 EDADLP COC(=O)c1cnc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000599334851 449900541 /nfs/dbraw/zinc/90/05/41/449900541.db2.gz JNQJUIFWNCVFPT-DYVFJYSZSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)c1cnc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cn1 ZINC000599334851 449900543 /nfs/dbraw/zinc/90/05/43/449900543.db2.gz JNQJUIFWNCVFPT-DYVFJYSZSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)c1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000599334851 449900547 /nfs/dbraw/zinc/90/05/47/449900547.db2.gz JNQJUIFWNCVFPT-DYVFJYSZSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)c1cnc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000599334851 449900553 /nfs/dbraw/zinc/90/05/53/449900553.db2.gz JNQJUIFWNCVFPT-DYVFJYSZSA-N 2 2 330.432 1.712 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000609258474 449986120 /nfs/dbraw/zinc/98/61/20/449986120.db2.gz YDOUMSRNRJNJEC-HOCLYGCPSA-N 2 2 348.447 1.320 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000609258474 449986127 /nfs/dbraw/zinc/98/61/27/449986127.db2.gz YDOUMSRNRJNJEC-HOCLYGCPSA-N 2 2 348.447 1.320 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn4cccc(C)c4n3)C2)CC1 ZINC000609337897 450013432 /nfs/dbraw/zinc/01/34/32/450013432.db2.gz BXFIKRCGXNIRDJ-SFHVURJKSA-N 2 2 327.476 1.855 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn4cccc(C)c4n3)C2)CC1 ZINC000609337897 450013437 /nfs/dbraw/zinc/01/34/37/450013437.db2.gz BXFIKRCGXNIRDJ-SFHVURJKSA-N 2 2 327.476 1.855 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000615274151 450039086 /nfs/dbraw/zinc/03/90/86/450039086.db2.gz HYKSNISZRAFHEX-JKSUJKDBSA-N 2 2 332.448 1.084 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000615274151 450039091 /nfs/dbraw/zinc/03/90/91/450039091.db2.gz HYKSNISZRAFHEX-JKSUJKDBSA-N 2 2 332.448 1.084 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585588 450085367 /nfs/dbraw/zinc/08/53/67/450085367.db2.gz FQZUKRQZDRFRQM-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599585588 450085374 /nfs/dbraw/zinc/08/53/74/450085374.db2.gz FQZUKRQZDRFRQM-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000595388866 450103065 /nfs/dbraw/zinc/10/30/65/450103065.db2.gz XVJINQQRQNTUJF-XIRDDKMYSA-N 2 2 349.475 1.099 20 0 EDADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000595388866 450103071 /nfs/dbraw/zinc/10/30/71/450103071.db2.gz XVJINQQRQNTUJF-XIRDDKMYSA-N 2 2 349.475 1.099 20 0 EDADLP COC(=O)CCN1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000595388866 450103074 /nfs/dbraw/zinc/10/30/74/450103074.db2.gz XVJINQQRQNTUJF-XIRDDKMYSA-N 2 2 349.475 1.099 20 0 EDADLP COC(=O)CCN1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000595388866 450103078 /nfs/dbraw/zinc/10/30/78/450103078.db2.gz XVJINQQRQNTUJF-XIRDDKMYSA-N 2 2 349.475 1.099 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000615705484 450205816 /nfs/dbraw/zinc/20/58/16/450205816.db2.gz OKTRNFIIXVASDB-UHFFFAOYSA-N 2 2 346.475 1.981 20 0 EDADLP CSC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000618834440 450317309 /nfs/dbraw/zinc/31/73/09/450317309.db2.gz NYFSYGYOAAFSLA-OAHLLOKOSA-N 2 2 325.522 1.899 20 0 EDADLP CSC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000618834440 450317313 /nfs/dbraw/zinc/31/73/13/450317313.db2.gz NYFSYGYOAAFSLA-OAHLLOKOSA-N 2 2 325.522 1.899 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619883486 450352425 /nfs/dbraw/zinc/35/24/25/450352425.db2.gz KQERSVIXNPCSEV-OAHLLOKOSA-N 2 2 325.497 1.724 20 0 EDADLP CN1Cc2ccccc2[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000623237236 450461651 /nfs/dbraw/zinc/46/16/51/450461651.db2.gz UKSVQKRFPQZMNR-MJGOQNOKSA-N 2 2 343.471 1.933 20 0 EDADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@H](C(F)(F)F)C1 ZINC000623257712 450466449 /nfs/dbraw/zinc/46/64/49/450466449.db2.gz RVSMAIGCRHMINR-RAIGVLPGSA-N 2 2 344.381 1.833 20 0 EDADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@H](C(F)(F)F)C1 ZINC000623257712 450466451 /nfs/dbraw/zinc/46/64/51/450466451.db2.gz RVSMAIGCRHMINR-RAIGVLPGSA-N 2 2 344.381 1.833 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3CCn4c[nH+]cc4C3)CC2)[nH+]c1 ZINC000623304154 450490249 /nfs/dbraw/zinc/49/02/49/450490249.db2.gz RPCNAXBCGCSDKO-MRXNPFEDSA-N 2 2 339.443 1.934 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623493807 450531973 /nfs/dbraw/zinc/53/19/73/450531973.db2.gz SCGNFQXWWVGZPI-OWCLPIDISA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623493807 450531974 /nfs/dbraw/zinc/53/19/74/450531974.db2.gz SCGNFQXWWVGZPI-OWCLPIDISA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623493807 450531976 /nfs/dbraw/zinc/53/19/76/450531976.db2.gz SCGNFQXWWVGZPI-OWCLPIDISA-N 2 2 340.512 1.373 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623493807 450531978 /nfs/dbraw/zinc/53/19/78/450531978.db2.gz SCGNFQXWWVGZPI-OWCLPIDISA-N 2 2 340.512 1.373 20 0 EDADLP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000625939405 450538449 /nfs/dbraw/zinc/53/84/49/450538449.db2.gz XISRFFWVECHXNC-INIZCTEOSA-N 2 2 346.431 1.107 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623538876 450539620 /nfs/dbraw/zinc/53/96/20/450539620.db2.gz YGQYXNAGLVCMLQ-OAHLLOKOSA-N 2 2 339.505 1.899 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623538876 450539622 /nfs/dbraw/zinc/53/96/22/450539622.db2.gz YGQYXNAGLVCMLQ-OAHLLOKOSA-N 2 2 339.505 1.899 20 0 EDADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000623617702 450551944 /nfs/dbraw/zinc/55/19/44/450551944.db2.gz KUQNFQGUPLTLNN-KRWDZBQOSA-N 2 2 341.459 1.815 20 0 EDADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000623617702 450551947 /nfs/dbraw/zinc/55/19/47/450551947.db2.gz KUQNFQGUPLTLNN-KRWDZBQOSA-N 2 2 341.459 1.815 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Br)cn1 ZINC000623618133 450552404 /nfs/dbraw/zinc/55/24/04/450552404.db2.gz FKWITZYHGZNXNX-ZDUSSCGKSA-N 2 2 341.253 1.274 20 0 EDADLP Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(-c2ccccc2)n1 ZINC000623618738 450552536 /nfs/dbraw/zinc/55/25/36/450552536.db2.gz BXONBJFNNLRHMK-KRWDZBQOSA-N 2 2 341.459 1.517 20 0 EDADLP Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(-c2ccccc2)n1 ZINC000623618738 450552538 /nfs/dbraw/zinc/55/25/38/450552538.db2.gz BXONBJFNNLRHMK-KRWDZBQOSA-N 2 2 341.459 1.517 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000623620153 450553176 /nfs/dbraw/zinc/55/31/76/450553176.db2.gz IOSKHXVQIMVCGZ-ROUUACIJSA-N 2 2 347.459 1.284 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000623620153 450553178 /nfs/dbraw/zinc/55/31/78/450553178.db2.gz IOSKHXVQIMVCGZ-ROUUACIJSA-N 2 2 347.459 1.284 20 0 EDADLP COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1Cl ZINC000623620712 450553538 /nfs/dbraw/zinc/55/35/38/450553538.db2.gz YKSVUJNJEQUJDT-AWEZNQCLSA-N 2 2 325.840 1.778 20 0 EDADLP COc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)ccc1Cl ZINC000623620712 450553541 /nfs/dbraw/zinc/55/35/41/450553541.db2.gz YKSVUJNJEQUJDT-AWEZNQCLSA-N 2 2 325.840 1.778 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000626137335 450581127 /nfs/dbraw/zinc/58/11/27/450581127.db2.gz CAKDWWSJDOQMFX-YXJHDRRASA-N 2 2 349.500 1.238 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000626137335 450581130 /nfs/dbraw/zinc/58/11/30/450581130.db2.gz CAKDWWSJDOQMFX-YXJHDRRASA-N 2 2 349.500 1.238 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)CC2 ZINC000626138575 450581379 /nfs/dbraw/zinc/58/13/79/450581379.db2.gz ATVBZRWTQAWAMM-BRWVUGGUSA-N 2 2 346.475 1.514 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)CC2 ZINC000626201856 450622354 /nfs/dbraw/zinc/62/23/54/450622354.db2.gz ZWQBJEFLJSBMBT-CVEARBPZSA-N 2 2 334.464 1.107 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000626201856 450622356 /nfs/dbraw/zinc/62/23/56/450622356.db2.gz ZWQBJEFLJSBMBT-CVEARBPZSA-N 2 2 334.464 1.107 20 0 EDADLP [NH3+]C1(C[NH2+]Cc2cc(Br)cc3c2OCC3)CCOCC1 ZINC000629389179 450642295 /nfs/dbraw/zinc/64/22/95/450642295.db2.gz VSGVSHVWDBVOFN-UHFFFAOYSA-N 2 2 341.249 1.982 20 0 EDADLP Cc1c[nH+]cn1C1CCN(c2[nH+]cnc3[nH]cc(C(N)=O)c32)CC1 ZINC000621306304 450668916 /nfs/dbraw/zinc/66/89/16/450668916.db2.gz WKGNTLQFFULMGS-UHFFFAOYSA-N 2 2 325.376 1.403 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000633037115 450632748 /nfs/dbraw/zinc/63/27/48/450632748.db2.gz KULQBDBJKPTTFK-OLZOCXBDSA-N 2 2 340.383 1.761 20 0 EDADLP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)n1cccn1 ZINC000624045450 450682604 /nfs/dbraw/zinc/68/26/04/450682604.db2.gz IJDGMFRPGRLRAN-UONOGXRCSA-N 2 2 332.370 1.829 20 0 EDADLP Cc1cn2ccc(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc2[nH+]1 ZINC000635139711 450686157 /nfs/dbraw/zinc/68/61/57/450686157.db2.gz VZXVZGDZGVUSQH-MRXNPFEDSA-N 2 2 330.432 1.729 20 0 EDADLP Cc1cn2ccc(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2[nH+]1 ZINC000635139711 450686160 /nfs/dbraw/zinc/68/61/60/450686160.db2.gz VZXVZGDZGVUSQH-MRXNPFEDSA-N 2 2 330.432 1.729 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000629440330 450686872 /nfs/dbraw/zinc/68/68/72/450686872.db2.gz OIHQTHRJOOQNFH-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000629440330 450686875 /nfs/dbraw/zinc/68/68/75/450686875.db2.gz OIHQTHRJOOQNFH-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629440330 450686878 /nfs/dbraw/zinc/68/68/78/450686878.db2.gz OIHQTHRJOOQNFH-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629440330 450686880 /nfs/dbraw/zinc/68/68/80/450686880.db2.gz OIHQTHRJOOQNFH-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000631664123 450702653 /nfs/dbraw/zinc/70/26/53/450702653.db2.gz MCEBYBWTIWMWMR-BPQIPLTHSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000631664123 450702655 /nfs/dbraw/zinc/70/26/55/450702655.db2.gz MCEBYBWTIWMWMR-BPQIPLTHSA-N 2 2 336.501 1.921 20 0 EDADLP COc1cccc([C@@H](NC(=O)C2(C[NH+](C)C)CC2)c2[nH+]ccn2C)c1 ZINC000635172578 450717386 /nfs/dbraw/zinc/71/73/86/450717386.db2.gz YTDFTSJDZMIQLN-MRXNPFEDSA-N 2 2 342.443 1.976 20 0 EDADLP [NH3+]C1(C[NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CCOCC1 ZINC000629652966 450772211 /nfs/dbraw/zinc/77/22/11/450772211.db2.gz COZKNKSQWFIAIP-UHFFFAOYSA-N 2 2 347.459 1.189 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCN1c1ccccc1F ZINC000629575313 450744586 /nfs/dbraw/zinc/74/45/86/450744586.db2.gz OJGVUKFPTGUNJF-ZBFHGGJFSA-N 2 2 335.423 1.367 20 0 EDADLP CCN(CC)c1ccc(CNS(=O)(=O)CC2([NH+](C)C)CC2)c[nH+]1 ZINC000631757934 450753838 /nfs/dbraw/zinc/75/38/38/450753838.db2.gz MPEYFESDADUAAK-UHFFFAOYSA-N 2 2 340.493 1.441 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)COC1CCOCC1 ZINC000629604312 450759483 /nfs/dbraw/zinc/75/94/83/450759483.db2.gz JLPFRBYSDFSQEQ-DLBZAZTESA-N 2 2 326.481 1.540 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)COC1CCOCC1 ZINC000629604312 450759487 /nfs/dbraw/zinc/75/94/87/450759487.db2.gz JLPFRBYSDFSQEQ-DLBZAZTESA-N 2 2 326.481 1.540 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n(-c2ccccc2F)n1 ZINC000631837751 450806606 /nfs/dbraw/zinc/80/66/06/450806606.db2.gz DTKSZYZCOOKRHK-TZMCWYRMSA-N 2 2 345.422 1.785 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n(-c2ccccc2F)n1 ZINC000631837751 450806614 /nfs/dbraw/zinc/80/66/14/450806614.db2.gz DTKSZYZCOOKRHK-TZMCWYRMSA-N 2 2 345.422 1.785 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864178 450833119 /nfs/dbraw/zinc/83/31/19/450833119.db2.gz LXMYRPMVVAKONJ-HOTGVXAUSA-N 2 2 333.476 1.607 20 0 EDADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000624332984 450798827 /nfs/dbraw/zinc/79/88/27/450798827.db2.gz FEISTUISRMLNEX-YOEHRIQHSA-N 2 2 334.464 1.934 20 0 EDADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000624332984 450798829 /nfs/dbraw/zinc/79/88/29/450798829.db2.gz FEISTUISRMLNEX-YOEHRIQHSA-N 2 2 334.464 1.934 20 0 EDADLP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000631834528 450804388 /nfs/dbraw/zinc/80/43/88/450804388.db2.gz ZDYCQRMOFATTTR-KRWDZBQOSA-N 3 2 345.491 1.324 20 0 EDADLP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000631834528 450804394 /nfs/dbraw/zinc/80/43/94/450804394.db2.gz ZDYCQRMOFATTTR-KRWDZBQOSA-N 3 2 345.491 1.324 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCC[C@H](C(F)(F)F)C1 ZINC000631887571 450848959 /nfs/dbraw/zinc/84/89/59/450848959.db2.gz OYODIFCZLVSZOO-RDBSUJKOSA-N 2 2 333.398 1.861 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCC[C@H](C(F)(F)F)C1 ZINC000631887571 450848967 /nfs/dbraw/zinc/84/89/67/450848967.db2.gz OYODIFCZLVSZOO-RDBSUJKOSA-N 2 2 333.398 1.861 20 0 EDADLP Cc1nccnc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000621724093 450849883 /nfs/dbraw/zinc/84/98/83/450849883.db2.gz ZXDPVNWPWBSOHT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1nccnc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000621724093 450849888 /nfs/dbraw/zinc/84/98/88/450849888.db2.gz ZXDPVNWPWBSOHT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1nccnc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000621724093 450849891 /nfs/dbraw/zinc/84/98/91/450849891.db2.gz ZXDPVNWPWBSOHT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Cc1nccnc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000621724093 450849894 /nfs/dbraw/zinc/84/98/94/450849894.db2.gz ZXDPVNWPWBSOHT-LJQANCHMSA-N 2 2 326.444 1.854 20 0 EDADLP Clc1cncc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000621776105 450863842 /nfs/dbraw/zinc/86/38/42/450863842.db2.gz CEZJTRUBECFAAW-UHFFFAOYSA-N 2 2 332.839 1.809 20 0 EDADLP C[C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000631939728 450898137 /nfs/dbraw/zinc/89/81/37/450898137.db2.gz HQGOSSJNUZCUIE-OAHLLOKOSA-N 2 2 339.505 1.521 20 0 EDADLP C[C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000631939728 450898140 /nfs/dbraw/zinc/89/81/40/450898140.db2.gz HQGOSSJNUZCUIE-OAHLLOKOSA-N 2 2 339.505 1.521 20 0 EDADLP Cc1ccccc1COCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621866115 450906642 /nfs/dbraw/zinc/90/66/42/450906642.db2.gz JFMHPXXZFMUTHS-SFHVURJKSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1COCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621866115 450906648 /nfs/dbraw/zinc/90/66/48/450906648.db2.gz JFMHPXXZFMUTHS-SFHVURJKSA-N 2 2 345.487 1.796 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)Cc2ccccc2C1 ZINC000621881496 450918156 /nfs/dbraw/zinc/91/81/56/450918156.db2.gz OCKTYQQOJVEKDF-UHFFFAOYSA-N 2 2 326.444 1.903 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(O)c(Cl)c1 ZINC000633619724 450947471 /nfs/dbraw/zinc/94/74/71/450947471.db2.gz WANCRLWZPRZEEH-UHFFFAOYSA-N 2 2 327.856 1.588 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(O)c(Cl)c1 ZINC000633619724 450947477 /nfs/dbraw/zinc/94/74/77/450947477.db2.gz WANCRLWZPRZEEH-UHFFFAOYSA-N 2 2 327.856 1.588 20 0 EDADLP CC1CCC([NH+]2CCN(C(=O)NC[C@H]3COCC[N@@H+]3C)CC2)CC1 ZINC000624729935 450966046 /nfs/dbraw/zinc/96/60/46/450966046.db2.gz BEZURMDLJDMQLK-JCYILVPMSA-N 2 2 338.496 1.223 20 0 EDADLP CC1CCC([NH+]2CCN(C(=O)NC[C@H]3COCC[N@H+]3C)CC2)CC1 ZINC000624729935 450966053 /nfs/dbraw/zinc/96/60/53/450966053.db2.gz BEZURMDLJDMQLK-JCYILVPMSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NC3CC([NH+](C)C)C3)c2)cc[nH+]1 ZINC000622008932 450984737 /nfs/dbraw/zinc/98/47/37/450984737.db2.gz DDHAVFTZKGYORE-UHFFFAOYSA-N 2 2 339.443 2.220 20 0 EDADLP C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000635506273 451000663 /nfs/dbraw/zinc/00/06/63/451000663.db2.gz QRNHOICCZYYRSK-SJORKVTESA-N 2 2 333.476 1.386 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000635506273 451000668 /nfs/dbraw/zinc/00/06/68/451000668.db2.gz QRNHOICCZYYRSK-SJORKVTESA-N 2 2 333.476 1.386 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000626932455 451015867 /nfs/dbraw/zinc/01/58/67/451015867.db2.gz AXAGSFRJMSWKMY-IAGOWNOFSA-N 2 2 346.475 1.325 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000633802332 451026624 /nfs/dbraw/zinc/02/66/24/451026624.db2.gz IEBRIAFYJRARFO-NVXWUHKLSA-N 2 2 326.444 1.847 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000633802332 451026629 /nfs/dbraw/zinc/02/66/29/451026629.db2.gz IEBRIAFYJRARFO-NVXWUHKLSA-N 2 2 326.444 1.847 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000635531537 451027393 /nfs/dbraw/zinc/02/73/93/451027393.db2.gz SICVNZJDWZGMJJ-CQSZACIVSA-N 2 2 344.415 1.419 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000635531537 451027402 /nfs/dbraw/zinc/02/74/02/451027402.db2.gz SICVNZJDWZGMJJ-CQSZACIVSA-N 2 2 344.415 1.419 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2[nH+]1 ZINC000635531669 451027827 /nfs/dbraw/zinc/02/78/27/451027827.db2.gz GMUDCADCZIGPPH-CVEARBPZSA-N 2 2 328.416 1.314 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[NH2+]1 ZINC000626949781 451028685 /nfs/dbraw/zinc/02/86/85/451028685.db2.gz QETSKHPTLRBTKA-OCCSQVGLSA-N 2 2 331.395 1.951 20 0 EDADLP CC(C)C[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000635545316 451039565 /nfs/dbraw/zinc/03/95/65/451039565.db2.gz RIWVIZYDMUEZQK-KRWDZBQOSA-N 2 2 335.496 1.566 20 0 EDADLP CC(C)C[C@@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000635545316 451039569 /nfs/dbraw/zinc/03/95/69/451039569.db2.gz RIWVIZYDMUEZQK-KRWDZBQOSA-N 2 2 335.496 1.566 20 0 EDADLP CC(C)C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000635559004 451055992 /nfs/dbraw/zinc/05/59/92/451055992.db2.gz DKXIAMDGKJLJGB-SFHVURJKSA-N 3 2 349.523 1.955 20 0 EDADLP CC(C)C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000635559004 451056000 /nfs/dbraw/zinc/05/60/00/451056000.db2.gz DKXIAMDGKJLJGB-SFHVURJKSA-N 3 2 349.523 1.955 20 0 EDADLP CCC(C)(C)[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635551411 451048606 /nfs/dbraw/zinc/04/86/06/451048606.db2.gz LWZCMRDIANQBMP-HZPDHXFCSA-N 2 2 325.497 1.410 20 0 EDADLP CCC(C)(C)[C@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635551411 451048610 /nfs/dbraw/zinc/04/86/10/451048610.db2.gz LWZCMRDIANQBMP-HZPDHXFCSA-N 2 2 325.497 1.410 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000627081588 451114398 /nfs/dbraw/zinc/11/43/98/451114398.db2.gz VVIWSODKQVDJRY-UHFFFAOYSA-N 2 2 336.484 2.137 20 0 EDADLP Cc1ccc(-c2nn(C)cc2C(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000628062585 451114445 /nfs/dbraw/zinc/11/44/45/451114445.db2.gz LCOBLSOTTOHECD-UHFFFAOYSA-N 2 2 347.463 1.602 20 0 EDADLP Cc1ccc(-c2nn(C)cc2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000628062585 451114450 /nfs/dbraw/zinc/11/44/50/451114450.db2.gz LCOBLSOTTOHECD-UHFFFAOYSA-N 2 2 347.463 1.602 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000627090210 451120618 /nfs/dbraw/zinc/12/06/18/451120618.db2.gz SCJANNCQXRZFDO-TZMCWYRMSA-N 2 2 334.468 1.760 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCC[NH+]2CC[C@@H](C)C2)cc1 ZINC000635635106 451123713 /nfs/dbraw/zinc/12/37/13/451123713.db2.gz JYLWMADKTBBRIK-CRAIPNDOSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCC[NH+]2CC[C@@H](C)C2)cc1 ZINC000635635106 451123716 /nfs/dbraw/zinc/12/37/16/451123716.db2.gz JYLWMADKTBBRIK-CRAIPNDOSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000635635106 451123720 /nfs/dbraw/zinc/12/37/20/451123720.db2.gz JYLWMADKTBBRIK-CRAIPNDOSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000635635106 451123723 /nfs/dbraw/zinc/12/37/23/451123723.db2.gz JYLWMADKTBBRIK-CRAIPNDOSA-N 2 2 331.460 1.728 20 0 EDADLP C[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000632227838 451129860 /nfs/dbraw/zinc/12/98/60/451129860.db2.gz KXTLKSNVVDLYFH-GDBMZVCRSA-N 2 2 339.505 1.691 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000630404266 451169061 /nfs/dbraw/zinc/16/90/61/451169061.db2.gz BJQWRWSKGXYVGL-UHFFFAOYSA-N 2 2 346.460 1.331 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)Cc3cn4c([nH+]3)CCCC4)cn2)CC1 ZINC000634096980 451192261 /nfs/dbraw/zinc/19/22/61/451192261.db2.gz RFJJRQXEWOOIKZ-UHFFFAOYSA-N 2 2 342.447 1.864 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000627237039 451202607 /nfs/dbraw/zinc/20/26/07/451202607.db2.gz AMDHCIDJAYNVKJ-MAUKXSAKSA-N 2 2 346.475 1.663 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cnns2)CC1 ZINC000625180531 451207674 /nfs/dbraw/zinc/20/76/74/451207674.db2.gz PMAXPCVBRQKSRA-UHFFFAOYSA-N 2 2 339.509 1.454 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCOC3CCOCC3)c2)CC1 ZINC000634195851 451232792 /nfs/dbraw/zinc/23/27/92/451232792.db2.gz HQJNXCRWAKJDMJ-UHFFFAOYSA-N 2 2 348.447 1.358 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3C[C@H]4CC(=O)[C@@H]3C4)c2)CC1 ZINC000634195162 451232861 /nfs/dbraw/zinc/23/28/61/451232861.db2.gz UNRAPJSLXIUQIG-NWANDNLSSA-N 2 2 328.416 1.387 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCC[NH+]2CCCOCC2)cc1 ZINC000635835645 451283865 /nfs/dbraw/zinc/28/38/65/451283865.db2.gz OIYXEBGVVVCDTL-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCC[NH+]2CCCOCC2)cc1 ZINC000635835645 451283872 /nfs/dbraw/zinc/28/38/72/451283872.db2.gz OIYXEBGVVVCDTL-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000635835645 451283879 /nfs/dbraw/zinc/28/38/79/451283879.db2.gz OIYXEBGVVVCDTL-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000635835645 451283883 /nfs/dbraw/zinc/28/38/83/451283883.db2.gz OIYXEBGVVVCDTL-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000635863731 451311260 /nfs/dbraw/zinc/31/12/60/451311260.db2.gz ULQXZCRGOWYWOA-CVEARBPZSA-N 2 2 344.390 1.836 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cnc3c(c1)C[C@@H]([NH3+])CC3)CC2 ZINC000638157044 451326822 /nfs/dbraw/zinc/32/68/22/451326822.db2.gz VUNAVMRDCKORGA-JSGCOSHPSA-N 2 2 325.416 1.604 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cnc3c(c1)C[C@H]([NH3+])CC3)CC2 ZINC000638157039 451327178 /nfs/dbraw/zinc/32/71/78/451327178.db2.gz VUNAVMRDCKORGA-GXTWGEPZSA-N 2 2 325.416 1.604 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]31)CCCC2 ZINC000638180318 451341800 /nfs/dbraw/zinc/34/18/00/451341800.db2.gz JZKIYQCHJHZUQZ-BJZITVGISA-N 2 2 332.492 1.982 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]31)CCCC2 ZINC000638180318 451341802 /nfs/dbraw/zinc/34/18/02/451341802.db2.gz JZKIYQCHJHZUQZ-BJZITVGISA-N 2 2 332.492 1.982 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCCC[NH2+]1 ZINC000638275086 451394200 /nfs/dbraw/zinc/39/42/00/451394200.db2.gz DIRFUEZJTHMRAE-GOSISDBHSA-N 2 2 328.416 1.647 20 0 EDADLP CCC[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000638278463 451397269 /nfs/dbraw/zinc/39/72/69/451397269.db2.gz RFHNGBZYFOHJII-KRWDZBQOSA-N 2 2 340.475 1.788 20 0 EDADLP CCC[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000638278463 451397273 /nfs/dbraw/zinc/39/72/73/451397273.db2.gz RFHNGBZYFOHJII-KRWDZBQOSA-N 2 2 340.475 1.788 20 0 EDADLP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)N1CC[NH2+]CC1=O ZINC000638281671 451399295 /nfs/dbraw/zinc/39/92/95/451399295.db2.gz VKHZTFZBCUMWHZ-OAHLLOKOSA-N 2 2 344.459 1.084 20 0 EDADLP CC(C)[C@@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)[NH+]1CCOCC1 ZINC000640557698 451403737 /nfs/dbraw/zinc/40/37/37/451403737.db2.gz SZIUVWWAYFTTPN-MRXNPFEDSA-N 2 2 349.479 1.622 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)CCC3C[NH2+]C3)CC2)c1 ZINC000638295646 451410625 /nfs/dbraw/zinc/41/06/25/451410625.db2.gz XKNOEXLQSCAOLY-UHFFFAOYSA-N 2 2 347.459 1.218 20 0 EDADLP C[NH+](C)Cc1csc(NC(=O)C(C)(C)C[NH+]2CCOCC2)n1 ZINC000636013932 451438262 /nfs/dbraw/zinc/43/82/62/451438262.db2.gz AYTMHMDCAKGTOT-UHFFFAOYSA-N 2 2 326.466 1.502 20 0 EDADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)N1CC[NH+](C)CC1 ZINC000638353680 451454342 /nfs/dbraw/zinc/45/43/42/451454342.db2.gz STYQJEHVPFQXJA-GOSISDBHSA-N 3 2 340.556 1.083 20 0 EDADLP CC1(C)C[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000634678515 451464165 /nfs/dbraw/zinc/46/41/65/451464165.db2.gz WNGDOCMVDZSDNX-MRXNPFEDSA-N 2 2 333.480 1.536 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000636070417 451484952 /nfs/dbraw/zinc/48/49/52/451484952.db2.gz AYGIOUKZEPFVFD-CRAIPNDOSA-N 2 2 340.427 1.597 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000636070417 451484958 /nfs/dbraw/zinc/48/49/58/451484958.db2.gz AYGIOUKZEPFVFD-CRAIPNDOSA-N 2 2 340.427 1.597 20 0 EDADLP C[NH+]1CCN(c2ccc(NCC(C)(C)[NH+]3CCOCC3)nc2)CC1 ZINC000638397065 451486781 /nfs/dbraw/zinc/48/67/81/451486781.db2.gz CSRFMSDMYOUOJI-UHFFFAOYSA-N 2 2 333.480 1.356 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnn(CC4CC4)c3)CC2)CC1 ZINC000630863087 451446034 /nfs/dbraw/zinc/44/60/34/451446034.db2.gz QALJMILDHOCEMC-UHFFFAOYSA-N 2 2 345.491 1.582 20 0 EDADLP CC(C)(O)C[NH+]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630945758 451501881 /nfs/dbraw/zinc/50/18/81/451501881.db2.gz JCXUJANMCGAYBL-UHFFFAOYSA-N 2 2 328.416 1.605 20 0 EDADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000638458483 451526483 /nfs/dbraw/zinc/52/64/83/451526483.db2.gz DOERNFQMGNELFC-RDJZCZTQSA-N 3 2 336.524 1.582 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](CO)C2)([NH+]2CCCCC2)CC1 ZINC000636856641 451558092 /nfs/dbraw/zinc/55/80/92/451558092.db2.gz RXXOPCDBSGTHBL-IYBDPMFKSA-N 2 2 338.496 1.007 20 0 EDADLP Cc1nc(NCc2ccc(OCC[NH+]3CCCC3)cc2)nc(N)[nH+]1 ZINC000631114978 451590881 /nfs/dbraw/zinc/59/08/81/451590881.db2.gz FRDOYCOBHGFVHU-UHFFFAOYSA-N 2 2 328.420 1.271 20 0 EDADLP Cc1nc(N)nc(NCc2ccc(OCC[NH+]3CCCC3)cc2)[nH+]1 ZINC000631114978 451590889 /nfs/dbraw/zinc/59/08/89/451590889.db2.gz FRDOYCOBHGFVHU-UHFFFAOYSA-N 2 2 328.420 1.271 20 0 EDADLP CCCCNc1cc(C)[nH+]c(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000631142169 451606909 /nfs/dbraw/zinc/60/69/09/451606909.db2.gz DOJVGRWLKQNIOM-UHFFFAOYSA-N 2 2 333.480 2.298 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000636883245 451580866 /nfs/dbraw/zinc/58/08/66/451580866.db2.gz NYFINVGTYDBTRS-OAHLLOKOSA-N 2 2 331.464 1.904 20 0 EDADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCNC(=O)CC3)CC2)c1 ZINC000634951177 451620823 /nfs/dbraw/zinc/62/08/23/451620823.db2.gz OUUKVJGYOFQRJY-GOSISDBHSA-N 2 2 344.503 1.765 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000638633153 451621811 /nfs/dbraw/zinc/62/18/11/451621811.db2.gz SWCPHIXQTYBICB-OAHLLOKOSA-N 2 2 329.448 1.096 20 0 EDADLP CCOc1c(OC)cc(C[NH+]2CCC([NH2+]CCO)CC2)cc1OC ZINC000635001011 451646186 /nfs/dbraw/zinc/64/61/86/451646186.db2.gz BCPOYMOZUAIIQZ-UHFFFAOYSA-N 2 2 338.448 1.649 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000636450384 451714198 /nfs/dbraw/zinc/71/41/98/451714198.db2.gz MQKPBPJMXALBEG-KRWDZBQOSA-N 2 2 339.443 1.772 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638728572 451667702 /nfs/dbraw/zinc/66/77/02/451667702.db2.gz AYJOJRRTRUURHO-SJORKVTESA-N 2 2 346.475 1.177 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638728572 451667705 /nfs/dbraw/zinc/66/77/05/451667705.db2.gz AYJOJRRTRUURHO-SJORKVTESA-N 2 2 346.475 1.177 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000638731953 451669605 /nfs/dbraw/zinc/66/96/05/451669605.db2.gz SCYZGJCJCNMBOC-ZWKOTPCHSA-N 2 2 340.427 1.099 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccccc1 ZINC000638731953 451669609 /nfs/dbraw/zinc/66/96/09/451669609.db2.gz SCYZGJCJCNMBOC-ZWKOTPCHSA-N 2 2 340.427 1.099 20 0 EDADLP Brc1cnc2c(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cnn2c1 ZINC000639072799 451761382 /nfs/dbraw/zinc/76/13/82/451761382.db2.gz ZTOPXKGUWKWDBC-LBPRGKRZSA-N 2 2 347.220 1.793 20 0 EDADLP C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639277420 451802745 /nfs/dbraw/zinc/80/27/45/451802745.db2.gz WOLMTHRQFSXOAI-AEFFLSMTSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639277420 451802747 /nfs/dbraw/zinc/80/27/47/451802747.db2.gz WOLMTHRQFSXOAI-AEFFLSMTSA-N 2 2 334.460 1.743 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641291919 451817066 /nfs/dbraw/zinc/81/70/66/451817066.db2.gz GGPJZWHEBFARQD-HUUCEWRRSA-N 2 2 342.509 1.559 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000641294121 451819958 /nfs/dbraw/zinc/81/99/58/451819958.db2.gz GJJCWISBMVCPSE-AWEZNQCLSA-N 2 2 335.473 1.190 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000641294121 451819962 /nfs/dbraw/zinc/81/99/62/451819962.db2.gz GJJCWISBMVCPSE-AWEZNQCLSA-N 2 2 335.473 1.190 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000641294121 451819968 /nfs/dbraw/zinc/81/99/68/451819968.db2.gz GJJCWISBMVCPSE-AWEZNQCLSA-N 2 2 335.473 1.190 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000641294121 451819972 /nfs/dbraw/zinc/81/99/72/451819972.db2.gz GJJCWISBMVCPSE-AWEZNQCLSA-N 2 2 335.473 1.190 20 0 EDADLP CCCN(C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H]1CC[N@H+](C)C1 ZINC000646763504 451824597 /nfs/dbraw/zinc/82/45/97/451824597.db2.gz BAGPNPKYLILPJL-HNNXBMFYSA-N 2 2 332.448 1.888 20 0 EDADLP CCCN(C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H]1CC[N@@H+](C)C1 ZINC000646763504 451824603 /nfs/dbraw/zinc/82/46/03/451824603.db2.gz BAGPNPKYLILPJL-HNNXBMFYSA-N 2 2 332.448 1.888 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CC[N@H+](C)C1 ZINC000646763946 451825271 /nfs/dbraw/zinc/82/52/71/451825271.db2.gz LOSZDHABBNIHEV-AWEZNQCLSA-N 2 2 329.404 1.216 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1CC[N@@H+](C)C1 ZINC000646763946 451825276 /nfs/dbraw/zinc/82/52/76/451825276.db2.gz LOSZDHABBNIHEV-AWEZNQCLSA-N 2 2 329.404 1.216 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3ccncc3c2)CC1 ZINC000651443653 451831291 /nfs/dbraw/zinc/83/12/91/451831291.db2.gz XSFKSUQWIMQGND-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP CCN(C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@H]1CC[N@@H+](C)C1 ZINC000637413663 451842921 /nfs/dbraw/zinc/84/29/21/451842921.db2.gz WHUACMPNSDNCEX-HNNXBMFYSA-N 2 2 348.495 2.056 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646798692 451847942 /nfs/dbraw/zinc/84/79/42/451847942.db2.gz IWZXTJRAUCQQLP-QGZVFWFLSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646798692 451847946 /nfs/dbraw/zinc/84/79/46/451847946.db2.gz IWZXTJRAUCQQLP-QGZVFWFLSA-N 2 2 326.444 1.991 20 0 EDADLP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000644559344 451859223 /nfs/dbraw/zinc/85/92/23/451859223.db2.gz IEBCCBFOJIJACB-GJZGRUSLSA-N 2 2 341.883 1.224 20 0 EDADLP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000644559344 451859226 /nfs/dbraw/zinc/85/92/26/451859226.db2.gz IEBCCBFOJIJACB-GJZGRUSLSA-N 2 2 341.883 1.224 20 0 EDADLP CCC(CC)[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000644563370 451864939 /nfs/dbraw/zinc/86/49/39/451864939.db2.gz INPXAXCKVXDKOS-ZWKOTPCHSA-N 2 2 327.513 1.170 20 0 EDADLP Cc1cc(N2CCC([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000644585094 451879103 /nfs/dbraw/zinc/87/91/03/451879103.db2.gz GDJMMSAFYMZEJY-QGZVFWFLSA-N 3 2 333.480 1.107 20 0 EDADLP Cc1cc(N2CCC([NH2+]C[C@@H](O)C[N@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000644585094 451879107 /nfs/dbraw/zinc/87/91/07/451879107.db2.gz GDJMMSAFYMZEJY-QGZVFWFLSA-N 3 2 333.480 1.107 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000641354882 451882623 /nfs/dbraw/zinc/88/26/23/451882623.db2.gz DFAVDUOBYRGUGE-HNNXBMFYSA-N 2 2 326.466 1.021 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000642631947 451901712 /nfs/dbraw/zinc/90/17/12/451901712.db2.gz XSLBALHDHBZWCQ-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000639557044 451945139 /nfs/dbraw/zinc/94/51/39/451945139.db2.gz BXFDUQIEOBIOIM-GOSISDBHSA-N 2 2 340.427 1.315 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000639557044 451945143 /nfs/dbraw/zinc/94/51/43/451945143.db2.gz BXFDUQIEOBIOIM-GOSISDBHSA-N 2 2 340.427 1.315 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000649281360 451953174 /nfs/dbraw/zinc/95/31/74/451953174.db2.gz BDNZGNLATKNZKZ-BZSNNMDCSA-N 2 2 331.460 1.551 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000649285749 451959192 /nfs/dbraw/zinc/95/91/92/451959192.db2.gz QYPSPRFEMDXFMO-OAHLLOKOSA-N 2 2 344.459 1.402 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788992 451964736 /nfs/dbraw/zinc/96/47/36/451964736.db2.gz KYNOVBYXORKHSS-XKQJLSEDSA-N 2 2 344.459 1.018 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788992 451964741 /nfs/dbraw/zinc/96/47/41/451964741.db2.gz KYNOVBYXORKHSS-XKQJLSEDSA-N 2 2 344.459 1.018 20 0 EDADLP Cc1cncc(CCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000644795709 451994010 /nfs/dbraw/zinc/99/40/10/451994010.db2.gz ANDVRFLYESCYMK-KRWDZBQOSA-N 2 2 330.476 1.607 20 0 EDADLP Cc1cncc(CCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000644795709 451994012 /nfs/dbraw/zinc/99/40/12/451994012.db2.gz ANDVRFLYESCYMK-KRWDZBQOSA-N 2 2 330.476 1.607 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649326146 452006597 /nfs/dbraw/zinc/00/65/97/452006597.db2.gz UEQIOLSEHSJGRO-CTASWTNQSA-N 2 2 335.473 1.045 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000639668225 452010894 /nfs/dbraw/zinc/01/08/94/452010894.db2.gz GEPVNJUBGRUSIM-INIZCTEOSA-N 2 2 332.444 1.653 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651733459 452044071 /nfs/dbraw/zinc/04/40/71/452044071.db2.gz ICZMNMQIPIQTDA-RTBURBONSA-N 2 2 341.459 1.735 20 0 EDADLP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C(F)(F)F ZINC000649366319 452045119 /nfs/dbraw/zinc/04/51/19/452045119.db2.gz WKGUBACVFAIEKY-OLZOCXBDSA-N 2 2 330.354 1.442 20 0 EDADLP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C(F)(F)F ZINC000649366319 452045123 /nfs/dbraw/zinc/04/51/23/452045123.db2.gz WKGUBACVFAIEKY-OLZOCXBDSA-N 2 2 330.354 1.442 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000653662101 452065589 /nfs/dbraw/zinc/06/55/89/452065589.db2.gz SZIDYHCHQPPISZ-IBGZPJMESA-N 2 2 347.503 1.453 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000653662101 452065592 /nfs/dbraw/zinc/06/55/92/452065592.db2.gz SZIDYHCHQPPISZ-IBGZPJMESA-N 2 2 347.503 1.453 20 0 EDADLP CC(=O)NC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000643250008 452094763 /nfs/dbraw/zinc/09/47/63/452094763.db2.gz TZWBSIXGGQZGJT-UHFFFAOYSA-N 2 2 331.460 1.619 20 0 EDADLP OCCCOC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000643250843 452095246 /nfs/dbraw/zinc/09/52/46/452095246.db2.gz SSPAVVOVJLQRSV-UHFFFAOYSA-N 2 2 348.487 1.882 20 0 EDADLP C[N@@H+]1CCC[C@H]1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000649471890 452099325 /nfs/dbraw/zinc/09/93/25/452099325.db2.gz PHVVYIWCFASWOT-KRWDZBQOSA-N 2 2 331.460 1.670 20 0 EDADLP C[N@H+]1CCC[C@H]1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000649471890 452099330 /nfs/dbraw/zinc/09/93/30/452099330.db2.gz PHVVYIWCFASWOT-KRWDZBQOSA-N 2 2 331.460 1.670 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762263 452101130 /nfs/dbraw/zinc/10/11/30/452101130.db2.gz LROKINUFKXVJKY-YLJYHZDGSA-N 2 2 347.503 1.431 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762263 452101135 /nfs/dbraw/zinc/10/11/35/452101135.db2.gz LROKINUFKXVJKY-YLJYHZDGSA-N 2 2 347.503 1.431 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000639763256 452103522 /nfs/dbraw/zinc/10/35/22/452103522.db2.gz PIRDBRYOMXEKEV-HXUWFJFHSA-N 3 2 347.503 1.407 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000639763256 452103531 /nfs/dbraw/zinc/10/35/31/452103531.db2.gz PIRDBRYOMXEKEV-HXUWFJFHSA-N 3 2 347.503 1.407 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766484 452108425 /nfs/dbraw/zinc/10/84/25/452108425.db2.gz PVZVZIPFZGIQBV-KONPQCLYSA-N 2 2 325.497 1.553 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766484 452108428 /nfs/dbraw/zinc/10/84/28/452108428.db2.gz PVZVZIPFZGIQBV-KONPQCLYSA-N 2 2 325.497 1.553 20 0 EDADLP C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641624595 452145433 /nfs/dbraw/zinc/14/54/33/452145433.db2.gz OEFRUFCFFZMOQD-HUUCEWRRSA-N 2 2 328.482 1.265 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccn(C)c3C)CC2)CC1 ZINC000643362317 452149869 /nfs/dbraw/zinc/14/98/69/452149869.db2.gz TVDZSHYPUIJZBP-UHFFFAOYSA-N 2 2 332.492 1.966 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccn(C)c3C)CC2)CC1 ZINC000643362317 452149875 /nfs/dbraw/zinc/14/98/75/452149875.db2.gz TVDZSHYPUIJZBP-UHFFFAOYSA-N 2 2 332.492 1.966 20 0 EDADLP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000647336735 452180672 /nfs/dbraw/zinc/18/06/72/452180672.db2.gz FRVROSIJZPCFMF-AEFFLSMTSA-N 2 2 327.513 1.170 20 0 EDADLP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000647336735 452180673 /nfs/dbraw/zinc/18/06/73/452180673.db2.gz FRVROSIJZPCFMF-AEFFLSMTSA-N 2 2 327.513 1.170 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000637954618 452200058 /nfs/dbraw/zinc/20/00/58/452200058.db2.gz YJTUIOFMZGMUGL-GFCCVEGCSA-N 2 2 338.408 1.576 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000637954618 452200060 /nfs/dbraw/zinc/20/00/60/452200060.db2.gz YJTUIOFMZGMUGL-GFCCVEGCSA-N 2 2 338.408 1.576 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000645221397 452217527 /nfs/dbraw/zinc/21/75/27/452217527.db2.gz LRXYGXODAAFNQL-UHFFFAOYSA-N 2 2 331.460 1.647 20 0 EDADLP CC[C@H]1C[N@H+](Cc2cc3c(cc2OCCOC)OCO3)CC[C@@H]1[NH3+] ZINC000647498154 452239254 /nfs/dbraw/zinc/23/92/54/452239254.db2.gz BNVXECDFPIJIGD-ZFWWWQNUSA-N 2 2 336.432 2.000 20 0 EDADLP CC[C@H]1C[N@@H+](Cc2cc3c(cc2OCCOC)OCO3)CC[C@@H]1[NH3+] ZINC000647498154 452239258 /nfs/dbraw/zinc/23/92/58/452239258.db2.gz BNVXECDFPIJIGD-ZFWWWQNUSA-N 2 2 336.432 2.000 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000641786212 452257769 /nfs/dbraw/zinc/25/77/69/452257769.db2.gz JIZGHVDTCQLZCA-SJLPKXTDSA-N 2 2 347.507 1.541 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)ccc1C ZINC000641786445 452259178 /nfs/dbraw/zinc/25/91/78/452259178.db2.gz AKSVXJWXNVRJBP-IBGZPJMESA-N 2 2 347.503 1.890 20 0 EDADLP c1nc(C2CC2)ncc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787575 452264227 /nfs/dbraw/zinc/26/42/27/452264227.db2.gz VOXAIPZKMUZIRJ-SFHVURJKSA-N 2 2 345.491 1.240 20 0 EDADLP CCc1ncc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641788549 452266895 /nfs/dbraw/zinc/26/68/95/452266895.db2.gz PTEDDHNIVUNJQM-HNNXBMFYSA-N 2 2 338.521 1.592 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502330 452269656 /nfs/dbraw/zinc/26/96/56/452269656.db2.gz CRECCYNDGFVHOQ-DGCLKSJQSA-N 2 2 328.254 1.731 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659428281 452272515 /nfs/dbraw/zinc/27/25/15/452272515.db2.gz QBXNQXDLJYMOFX-HOTGVXAUSA-N 2 2 331.395 1.467 20 0 EDADLP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000647552212 452278365 /nfs/dbraw/zinc/27/83/65/452278365.db2.gz MQBMGGHNULJNIX-VAMGGRTRSA-N 4 2 342.531 1.958 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659435529 452281826 /nfs/dbraw/zinc/28/18/26/452281826.db2.gz JYHORFIOCZNSTH-NVXWUHKLSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489452 452288563 /nfs/dbraw/zinc/28/85/63/452288563.db2.gz SBKFHWXJYTYNRY-ZXFNITATSA-N 2 2 331.460 1.315 20 0 EDADLP C[C@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489452 452288575 /nfs/dbraw/zinc/28/85/75/452288575.db2.gz SBKFHWXJYTYNRY-ZXFNITATSA-N 2 2 331.460 1.315 20 0 EDADLP COc1ccc([C@@H](NC(=O)[C@@H](C)[NH2+]C2CC2)c2[nH+]ccn2C)cc1 ZINC000645320351 452296793 /nfs/dbraw/zinc/29/67/93/452296793.db2.gz MTFSITQYEDIQMO-MLGOLLRUSA-N 2 2 328.416 1.775 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N[C@@]2(C)CC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000663584274 452309920 /nfs/dbraw/zinc/30/99/20/452309920.db2.gz GLIJKOLFVUMBIP-KSSFIOAISA-N 2 2 332.448 1.953 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)CCO)CC1 ZINC000649864471 452324967 /nfs/dbraw/zinc/32/49/67/452324967.db2.gz CKSRXCSNRACFSX-DLBZAZTESA-N 2 2 333.476 1.595 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)CCO)CC1 ZINC000649864471 452324970 /nfs/dbraw/zinc/32/49/70/452324970.db2.gz CKSRXCSNRACFSX-DLBZAZTESA-N 2 2 333.476 1.595 20 0 EDADLP Cn1c2cc(C[NH+]3CCN([C@@H]4CCC[N@H+](C)C4)CC3)ccc2oc1=O ZINC000638058027 452343932 /nfs/dbraw/zinc/34/39/32/452343932.db2.gz SBWDPQKTJZXEQP-MRXNPFEDSA-N 2 2 344.459 1.343 20 0 EDADLP Cn1c2cc(C[NH+]3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)ccc2oc1=O ZINC000638058027 452343944 /nfs/dbraw/zinc/34/39/44/452343944.db2.gz SBWDPQKTJZXEQP-MRXNPFEDSA-N 2 2 344.459 1.343 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CCC2C[NH2+]C2)CC1 ZINC000638060214 452352970 /nfs/dbraw/zinc/35/29/70/452352970.db2.gz QMSHWMJXIHMTRJ-UHFFFAOYSA-N 2 2 330.432 1.012 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)[nH+]c12 ZINC000652162666 452357087 /nfs/dbraw/zinc/35/70/87/452357087.db2.gz VXLIYRQVMWPUEV-KXBFYZLASA-N 2 2 341.459 1.956 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c[nH+]1 ZINC000663623793 452359213 /nfs/dbraw/zinc/35/92/13/452359213.db2.gz GRIGXKQCLCOGEH-INIZCTEOSA-N 2 2 349.479 1.400 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC000652172442 452366715 /nfs/dbraw/zinc/36/67/15/452366715.db2.gz ZRUQYKRSQGCGJA-OAHLLOKOSA-N 2 2 349.479 1.479 20 0 EDADLP CC1(C)C[C@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000657598792 452371355 /nfs/dbraw/zinc/37/13/55/452371355.db2.gz VUEOSEYQQBIZOG-AZUAARDMSA-N 2 2 348.487 1.797 20 0 EDADLP CC1(C)C[C@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000657598792 452371366 /nfs/dbraw/zinc/37/13/66/452371366.db2.gz VUEOSEYQQBIZOG-AZUAARDMSA-N 2 2 348.487 1.797 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659524369 452386500 /nfs/dbraw/zinc/38/65/00/452386500.db2.gz SUULUIDOPMXRFK-DLBZAZTESA-N 2 2 338.496 1.258 20 0 EDADLP C[C@@]1(CNC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCC[NH2+]C1 ZINC000659528319 452390621 /nfs/dbraw/zinc/39/06/21/452390621.db2.gz DTUIRNUYRXNHLV-GOSISDBHSA-N 2 2 338.496 1.130 20 0 EDADLP COc1cccc([C@@H]([NH3+])C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000638078401 452392798 /nfs/dbraw/zinc/39/27/98/452392798.db2.gz ANIYSJYDGNIVEI-GOSISDBHSA-N 2 2 325.412 1.827 20 0 EDADLP O=C1CC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@H]2N1 ZINC000661598629 452404293 /nfs/dbraw/zinc/40/42/93/452404293.db2.gz WSOBMCSMPDWWMS-RTBURBONSA-N 2 2 343.471 1.619 20 0 EDADLP O=C1CC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC[C@H]2N1 ZINC000661598629 452404296 /nfs/dbraw/zinc/40/42/96/452404296.db2.gz WSOBMCSMPDWWMS-RTBURBONSA-N 2 2 343.471 1.619 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)[C@@H](C)CO1 ZINC000663685237 452423106 /nfs/dbraw/zinc/42/31/06/452423106.db2.gz BTSPIZRPLUKSOX-LSDHHAIUSA-N 2 2 349.479 1.170 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(CC[NH+](C)C)C2CC2)cc1 ZINC000640126079 452449494 /nfs/dbraw/zinc/44/94/94/452449494.db2.gz BGLLUGQCSKATMR-SFHVURJKSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(CC[NH+](C)C)C2CC2)cc1 ZINC000640126079 452449502 /nfs/dbraw/zinc/44/95/02/452449502.db2.gz BGLLUGQCSKATMR-SFHVURJKSA-N 2 2 331.460 1.822 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617895 452475018 /nfs/dbraw/zinc/47/50/18/452475018.db2.gz JXBWGZKXUXSSEU-UHFFFAOYSA-N 2 2 331.342 1.339 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)ccc2[nH+]1 ZINC000665951575 452483291 /nfs/dbraw/zinc/48/32/91/452483291.db2.gz OOYKAYWATHZXHN-MRXNPFEDSA-N 2 2 343.431 1.706 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)ccc2[nH+]1 ZINC000665951575 452483297 /nfs/dbraw/zinc/48/32/97/452483297.db2.gz OOYKAYWATHZXHN-MRXNPFEDSA-N 2 2 343.431 1.706 20 0 EDADLP C[C@@]12COC[C@@H]1C[N@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000661703314 452507175 /nfs/dbraw/zinc/50/71/75/452507175.db2.gz DMAORPLPMKVAAU-FUHWJXTLSA-N 2 2 349.500 1.361 20 0 EDADLP C[C@@]12COC[C@@H]1C[N@@H+](CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000661703314 452507181 /nfs/dbraw/zinc/50/71/81/452507181.db2.gz DMAORPLPMKVAAU-FUHWJXTLSA-N 2 2 349.500 1.361 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655686291 452508417 /nfs/dbraw/zinc/50/84/17/452508417.db2.gz CBNPUXVWLXBMNP-SFHVURJKSA-N 3 2 338.540 1.245 20 0 EDADLP CC(C)n1cc(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000654445165 452509027 /nfs/dbraw/zinc/50/90/27/452509027.db2.gz MEXZOXCKARSCEH-CQSZACIVSA-N 2 2 334.468 1.754 20 0 EDADLP CC(C)n1cc(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000654445165 452509035 /nfs/dbraw/zinc/50/90/35/452509035.db2.gz MEXZOXCKARSCEH-CQSZACIVSA-N 2 2 334.468 1.754 20 0 EDADLP COc1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C ZINC000663787062 452516967 /nfs/dbraw/zinc/51/69/67/452516967.db2.gz GPMWHYKVUSKRKQ-UHFFFAOYSA-N 2 2 336.480 1.686 20 0 EDADLP COc1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C ZINC000663787062 452516979 /nfs/dbraw/zinc/51/69/79/452516979.db2.gz GPMWHYKVUSKRKQ-UHFFFAOYSA-N 2 2 336.480 1.686 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NCc2cccc(OC(C)C)c2)C[C@H]1C[NH3+] ZINC000652356839 452534839 /nfs/dbraw/zinc/53/48/39/452534839.db2.gz KTHYWYAMMTYUOA-SJLPKXTDSA-N 2 2 349.475 1.386 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NCc2cccc(OC(C)C)c2)C[C@H]1C[NH3+] ZINC000652356839 452534851 /nfs/dbraw/zinc/53/48/51/452534851.db2.gz KTHYWYAMMTYUOA-SJLPKXTDSA-N 2 2 349.475 1.386 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@H]1C[NH3+] ZINC000652358144 452540335 /nfs/dbraw/zinc/54/03/35/452540335.db2.gz GGFHRLNLTWVQLJ-ZDGDKENJSA-N 2 2 325.497 1.611 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@H]1C[NH3+] ZINC000652358144 452540343 /nfs/dbraw/zinc/54/03/43/452540343.db2.gz GGFHRLNLTWVQLJ-ZDGDKENJSA-N 2 2 325.497 1.611 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CC(C3CC3)C2)([NH+]2CCCCC2)CC1 ZINC000643726766 452540854 /nfs/dbraw/zinc/54/08/54/452540854.db2.gz DHODRHSKTRHCBJ-UHFFFAOYSA-N 2 2 334.508 1.988 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814191 452542873 /nfs/dbraw/zinc/54/28/73/452542873.db2.gz BRPNUNQHDDHEOM-UHFFFAOYSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814191 452542882 /nfs/dbraw/zinc/54/28/82/452542882.db2.gz BRPNUNQHDDHEOM-UHFFFAOYSA-N 2 2 331.460 1.870 20 0 EDADLP C[NH+]1CCN(c2ncc(CN[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000655857392 452609178 /nfs/dbraw/zinc/60/91/78/452609178.db2.gz UDXXGTPKFBLVEO-MSOLQXFVSA-N 2 2 344.507 1.335 20 0 EDADLP C[NH+]1CCN(c2ncc(CN[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000655857392 452609187 /nfs/dbraw/zinc/60/91/87/452609187.db2.gz UDXXGTPKFBLVEO-MSOLQXFVSA-N 2 2 344.507 1.335 20 0 EDADLP CCC(CC)C(=O)N1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000647877253 452616302 /nfs/dbraw/zinc/61/63/02/452616302.db2.gz MGFMRLNDBAPCMJ-OALUTQOASA-N 2 2 347.503 1.498 20 0 EDADLP O=C(c1ccc(F)cc1Cl)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647882592 452621466 /nfs/dbraw/zinc/62/14/66/452621466.db2.gz ACGJZOJORZFJLZ-GFCCVEGCSA-N 2 2 325.815 1.846 20 0 EDADLP O=C(C[NH2+][C@@H]1C[C@@H](O)C12CCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000661840293 452624792 /nfs/dbraw/zinc/62/47/92/452624792.db2.gz RGHYPCWCGXHPTR-HZPDHXFCSA-N 2 2 349.500 1.285 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900742 452641340 /nfs/dbraw/zinc/64/13/40/452641340.db2.gz FWGCRKVXHRJANZ-HKUYNNGSSA-N 2 2 345.487 1.913 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900742 452641349 /nfs/dbraw/zinc/64/13/49/452641349.db2.gz FWGCRKVXHRJANZ-HKUYNNGSSA-N 2 2 345.487 1.913 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583198 452667721 /nfs/dbraw/zinc/66/77/21/452667721.db2.gz KEPAPEKCUPFULE-ARILJUKYSA-N 2 2 335.452 1.686 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583198 452667729 /nfs/dbraw/zinc/66/77/29/452667729.db2.gz KEPAPEKCUPFULE-ARILJUKYSA-N 2 2 335.452 1.686 20 0 EDADLP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000647931221 452668852 /nfs/dbraw/zinc/66/88/52/452668852.db2.gz SBVLWOQYKCFDJA-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)CN(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000647931221 452668860 /nfs/dbraw/zinc/66/88/60/452668860.db2.gz SBVLWOQYKCFDJA-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647938769 452679793 /nfs/dbraw/zinc/67/97/93/452679793.db2.gz UGSDYLOPBBFQDP-QAPCUYQASA-N 2 2 349.475 1.640 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000647938769 452679803 /nfs/dbraw/zinc/67/98/03/452679803.db2.gz UGSDYLOPBBFQDP-QAPCUYQASA-N 2 2 349.475 1.640 20 0 EDADLP Cc1cc(CNC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)[nH+]1 ZINC000654594668 452680658 /nfs/dbraw/zinc/68/06/58/452680658.db2.gz GGHIGMMJSOXKSC-OAGGEKHMSA-N 2 2 334.464 1.995 20 0 EDADLP Cc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)[nH+]1 ZINC000654594668 452680667 /nfs/dbraw/zinc/68/06/67/452680667.db2.gz GGHIGMMJSOXKSC-OAGGEKHMSA-N 2 2 334.464 1.995 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC[C@H]1[NH3+] ZINC000647940436 452682137 /nfs/dbraw/zinc/68/21/37/452682137.db2.gz YVGUXCSGCMIWHZ-HUUCEWRRSA-N 2 2 335.448 1.379 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CC[C@H]1[NH3+] ZINC000647940436 452682145 /nfs/dbraw/zinc/68/21/45/452682145.db2.gz YVGUXCSGCMIWHZ-HUUCEWRRSA-N 2 2 335.448 1.379 20 0 EDADLP Cc1ccc([C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C(F)(F)F)o1 ZINC000655933140 452702296 /nfs/dbraw/zinc/70/22/96/452702296.db2.gz HKLYIEQAEUWAKX-CMPLNLGQSA-N 2 2 334.342 1.476 20 0 EDADLP Cc1ccc([C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C(F)(F)F)o1 ZINC000655933140 452702304 /nfs/dbraw/zinc/70/23/04/452702304.db2.gz HKLYIEQAEUWAKX-CMPLNLGQSA-N 2 2 334.342 1.476 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968295 452713755 /nfs/dbraw/zinc/71/37/55/452713755.db2.gz ZZGIVFRYQHMIHH-ZFWWWQNUSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968295 452713764 /nfs/dbraw/zinc/71/37/64/452713764.db2.gz ZZGIVFRYQHMIHH-ZFWWWQNUSA-N 2 2 343.493 1.028 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661981618 452733185 /nfs/dbraw/zinc/73/31/85/452733185.db2.gz LNKBGZVLTJENAF-ZBFHGGJFSA-N 2 2 347.463 1.172 20 0 EDADLP CO[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000656022599 452809303 /nfs/dbraw/zinc/80/93/03/452809303.db2.gz LXBCNHOYNCVKLQ-IRXDYDNUSA-N 2 2 338.496 1.221 20 0 EDADLP CO[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000656022599 452809310 /nfs/dbraw/zinc/80/93/10/452809310.db2.gz LXBCNHOYNCVKLQ-IRXDYDNUSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000645812211 452811955 /nfs/dbraw/zinc/81/19/55/452811955.db2.gz UIELVJDAIRAMCM-OAHLLOKOSA-N 3 2 344.503 1.995 20 0 EDADLP C[NH+]1CCN(CCNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000656109019 452867150 /nfs/dbraw/zinc/86/71/50/452867150.db2.gz PKOVRNUZPBBKIA-UHFFFAOYSA-N 2 2 332.496 1.762 20 0 EDADLP O=c1[nH]c(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc2ccccc12 ZINC000662153040 452887927 /nfs/dbraw/zinc/88/79/27/452887927.db2.gz MOSPZJPOCLJZGX-HNNXBMFYSA-N 2 2 342.443 1.409 20 0 EDADLP O=c1[nH]c(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)nc2ccccc12 ZINC000662153040 452887938 /nfs/dbraw/zinc/88/79/38/452887938.db2.gz MOSPZJPOCLJZGX-HNNXBMFYSA-N 2 2 342.443 1.409 20 0 EDADLP CC(C)(C)CN1CCC[C@@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662152882 452889985 /nfs/dbraw/zinc/88/99/85/452889985.db2.gz ISCFBIUPPVNXTD-DLBZAZTESA-N 2 2 337.508 1.555 20 0 EDADLP CC(C)(C)CN1CCC[C@@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662152882 452889993 /nfs/dbraw/zinc/88/99/93/452889993.db2.gz ISCFBIUPPVNXTD-DLBZAZTESA-N 2 2 337.508 1.555 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOCc2ccccc2)CC1 ZINC000660013147 452923442 /nfs/dbraw/zinc/92/34/42/452923442.db2.gz PCBUJBZZQLQMAN-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP C[C@H](CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000658420670 452943333 /nfs/dbraw/zinc/94/33/33/452943333.db2.gz GWXCYTWWVTYRJK-CYBMUJFWSA-N 2 2 329.404 1.267 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000660039796 452949884 /nfs/dbraw/zinc/94/98/84/452949884.db2.gz PLCWPLOIKIGGGN-GJZGRUSLSA-N 2 2 336.480 1.518 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c[nH+]1 ZINC000656253992 452990999 /nfs/dbraw/zinc/99/09/99/452990999.db2.gz VLAPDKKYHYQMGN-SFHVURJKSA-N 2 2 345.491 1.620 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c[nH+]1 ZINC000656253992 452991006 /nfs/dbraw/zinc/99/10/06/452991006.db2.gz VLAPDKKYHYQMGN-SFHVURJKSA-N 2 2 345.491 1.620 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC1=CCSC1 ZINC000662271317 452999166 /nfs/dbraw/zinc/99/91/66/452999166.db2.gz VFSDRPUBAIXOCJ-UHFFFAOYSA-N 2 2 346.500 1.725 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC1=CCSC1 ZINC000662271317 452999171 /nfs/dbraw/zinc/99/91/71/452999171.db2.gz VFSDRPUBAIXOCJ-UHFFFAOYSA-N 2 2 346.500 1.725 20 0 EDADLP C[NH+]1CCC(CC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000644083438 453025610 /nfs/dbraw/zinc/02/56/10/453025610.db2.gz XAALPAHKCAPLBR-UHFFFAOYSA-N 2 2 344.459 1.200 20 0 EDADLP C[NH+]1CCC(CC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000644083438 453025614 /nfs/dbraw/zinc/02/56/14/453025614.db2.gz XAALPAHKCAPLBR-UHFFFAOYSA-N 2 2 344.459 1.200 20 0 EDADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000662356236 453070754 /nfs/dbraw/zinc/07/07/54/453070754.db2.gz MVBGIABRBUYUCI-IBGZPJMESA-N 2 2 336.439 1.960 20 0 EDADLP CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC000650877233 453076465 /nfs/dbraw/zinc/07/64/65/453076465.db2.gz QDGNAJWXEYQGIB-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC000650877233 453076473 /nfs/dbraw/zinc/07/64/73/453076473.db2.gz QDGNAJWXEYQGIB-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP CCC(CC)(CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000644161353 453091356 /nfs/dbraw/zinc/09/13/56/453091356.db2.gz PKIHOIPVZORYBV-HNNXBMFYSA-N 2 2 340.512 1.659 20 0 EDADLP CCC(CC)(CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000644161353 453091361 /nfs/dbraw/zinc/09/13/61/453091361.db2.gz PKIHOIPVZORYBV-HNNXBMFYSA-N 2 2 340.512 1.659 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3nnn(CC[C@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000644167262 453097901 /nfs/dbraw/zinc/09/79/01/453097901.db2.gz PJWSLNZBLDGSAA-WBVHZDCISA-N 2 2 342.447 1.246 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3nnn(CC[C@H]4CC[NH2+]C4)n3)C2)cc1 ZINC000644167262 453097909 /nfs/dbraw/zinc/09/79/09/453097909.db2.gz PJWSLNZBLDGSAA-WBVHZDCISA-N 2 2 342.447 1.246 20 0 EDADLP [NH3+][C@@H](c1cn(Cc2cn3cc(Cl)ccc3[nH+]2)nn1)[C@H]1CCCO1 ZINC000656450881 453192126 /nfs/dbraw/zinc/19/21/26/453192126.db2.gz GTDHDRPFCCSMQI-HIFRSBDPSA-N 2 2 332.795 1.806 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC000660304297 453195842 /nfs/dbraw/zinc/19/58/42/453195842.db2.gz DAUUJJKKSPHMQL-DOTOQJQBSA-N 2 2 339.443 1.915 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC000660304297 453195848 /nfs/dbraw/zinc/19/58/48/453195848.db2.gz DAUUJJKKSPHMQL-DOTOQJQBSA-N 2 2 339.443 1.915 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000646188958 453202310 /nfs/dbraw/zinc/20/23/10/453202310.db2.gz ASHWJSUHUJKWKT-MISXGVKJSA-N 2 2 328.407 1.993 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)C1 ZINC000656469293 453204984 /nfs/dbraw/zinc/20/49/84/453204984.db2.gz YTZMBAYYJSZERI-MRXNPFEDSA-N 2 2 331.464 1.271 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)C1 ZINC000656469293 453204995 /nfs/dbraw/zinc/20/49/95/453204995.db2.gz YTZMBAYYJSZERI-MRXNPFEDSA-N 2 2 331.464 1.271 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000648723470 453211580 /nfs/dbraw/zinc/21/15/80/453211580.db2.gz WQKSHNJFMMAIDW-JKSUJKDBSA-N 2 2 336.480 1.870 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OCC ZINC000653058749 453235130 /nfs/dbraw/zinc/23/51/30/453235130.db2.gz DRLHERYPWYZAHC-UKRRQHHQSA-N 2 2 337.464 1.940 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC(F)F ZINC000653067483 453246236 /nfs/dbraw/zinc/24/62/36/453246236.db2.gz BAEXUEAOBDXBHA-LBPRGKRZSA-N 2 2 345.390 1.534 20 0 EDADLP COc1ccc(OC2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653070984 453249227 /nfs/dbraw/zinc/24/92/27/453249227.db2.gz QWTPTMXFTAGAJP-QGZVFWFLSA-N 2 2 335.448 1.344 20 0 EDADLP COc1ccc(OC2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653070983 453249714 /nfs/dbraw/zinc/24/97/14/453249714.db2.gz QWTPTMXFTAGAJP-KRWDZBQOSA-N 2 2 335.448 1.344 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 ZINC000653075963 453254843 /nfs/dbraw/zinc/25/48/43/453254843.db2.gz DERIDRZBMROSHE-MRXNPFEDSA-N 2 2 347.463 1.210 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000653083053 453264129 /nfs/dbraw/zinc/26/41/29/453264129.db2.gz LJETVRJLZNASGT-AWEZNQCLSA-N 2 2 328.420 1.567 20 0 EDADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000666945356 453270166 /nfs/dbraw/zinc/27/01/66/453270166.db2.gz LXFSXEDTZRHFEO-KBPBESRZSA-N 2 2 332.379 1.638 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1(C)C ZINC000646265208 453271787 /nfs/dbraw/zinc/27/17/87/453271787.db2.gz OFNFGUQSCWKTGT-LBTNJELSSA-N 2 2 332.448 1.309 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000653092442 453274245 /nfs/dbraw/zinc/27/42/45/453274245.db2.gz AHJKCCDMEOBWMI-QMMMGPOBSA-N 2 2 335.292 1.609 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000648787845 453274464 /nfs/dbraw/zinc/27/44/64/453274464.db2.gz HRSLPDAQYCTNJH-JKSUJKDBSA-N 2 2 336.480 1.966 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000648787845 453274468 /nfs/dbraw/zinc/27/44/68/453274468.db2.gz HRSLPDAQYCTNJH-JKSUJKDBSA-N 2 2 336.480 1.966 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000653106832 453289656 /nfs/dbraw/zinc/28/96/56/453289656.db2.gz NTYNMSKHEATJAR-ROUUACIJSA-N 2 2 331.460 1.566 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000653115150 453302984 /nfs/dbraw/zinc/30/29/84/453302984.db2.gz FMERRACMBNTYGV-GOSISDBHSA-N 3 2 348.491 1.108 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653117355 453304931 /nfs/dbraw/zinc/30/49/31/453304931.db2.gz JPJUTKXNHYQCPF-CRAIPNDOSA-N 3 2 332.492 1.607 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000653119616 453309299 /nfs/dbraw/zinc/30/92/99/453309299.db2.gz PTOVBBAXCKNIHG-BHIYHBOVSA-N 3 2 346.519 1.777 20 0 EDADLP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653119616 453309303 /nfs/dbraw/zinc/30/93/03/453309303.db2.gz PTOVBBAXCKNIHG-BHIYHBOVSA-N 3 2 346.519 1.777 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000653124868 453318813 /nfs/dbraw/zinc/31/88/13/453318813.db2.gz JNPBVEPKHUELMU-ZWKOTPCHSA-N 3 2 348.535 1.584 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000653124994 453320107 /nfs/dbraw/zinc/32/01/07/453320107.db2.gz PEQJHKNGKIPOQK-KRWDZBQOSA-N 2 2 330.476 1.762 20 0 EDADLP [NH3+][C@H]1CCc2ncc(NC(=O)Cc3cn4c([nH+]3)CCCC4)cc2C1 ZINC000653128172 453323579 /nfs/dbraw/zinc/32/35/79/453323579.db2.gz SYKCCXMWAWIWQT-ZDUSSCGKSA-N 2 2 325.416 1.612 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660469374 453329484 /nfs/dbraw/zinc/32/94/84/453329484.db2.gz QBYVCBQBAZYFKQ-OALUTQOASA-N 2 2 348.487 1.921 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660469374 453329489 /nfs/dbraw/zinc/32/94/89/453329489.db2.gz QBYVCBQBAZYFKQ-OALUTQOASA-N 2 2 348.487 1.921 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccn1 ZINC000653153071 453340074 /nfs/dbraw/zinc/34/00/74/453340074.db2.gz GWPIJEZYDXJFQX-QAPCUYQASA-N 2 2 342.443 1.575 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000651191364 453341900 /nfs/dbraw/zinc/34/19/00/453341900.db2.gz VZDBANNMAMSJEC-UHFFFAOYSA-N 2 2 347.507 1.887 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000651191364 453341909 /nfs/dbraw/zinc/34/19/09/453341909.db2.gz VZDBANNMAMSJEC-UHFFFAOYSA-N 2 2 347.507 1.887 20 0 EDADLP COc1ccccc1COC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653156260 453346118 /nfs/dbraw/zinc/34/61/18/453346118.db2.gz WFNMOPWCZSKPFE-KRWDZBQOSA-N 2 2 349.475 1.482 20 0 EDADLP COc1ccc(C[C@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653156192 453347143 /nfs/dbraw/zinc/34/71/43/453347143.db2.gz UMEGYIZNYVAWFY-DZGCQCFKSA-N 2 2 337.464 1.278 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000653158038 453351051 /nfs/dbraw/zinc/35/10/51/453351051.db2.gz TZAQHIDZDLAJID-LSDHHAIUSA-N 2 2 342.447 1.414 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000656694746 453368978 /nfs/dbraw/zinc/36/89/78/453368978.db2.gz RGAJIDBTNRDQNP-GOSISDBHSA-N 2 2 333.476 1.582 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000656694746 453368984 /nfs/dbraw/zinc/36/89/84/453368984.db2.gz RGAJIDBTNRDQNP-GOSISDBHSA-N 2 2 333.476 1.582 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646443026 453387548 /nfs/dbraw/zinc/38/75/48/453387548.db2.gz BFAKJOBSDGSGSG-IRXDYDNUSA-N 2 2 341.415 1.203 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646443026 453387557 /nfs/dbraw/zinc/38/75/57/453387557.db2.gz BFAKJOBSDGSGSG-IRXDYDNUSA-N 2 2 341.415 1.203 20 0 EDADLP O=C(NCC[NH2+]C1CC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000667085243 453395324 /nfs/dbraw/zinc/39/53/24/453395324.db2.gz SIGBZPDHUCDFCO-UHFFFAOYSA-N 2 2 329.404 1.836 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000653202614 453395689 /nfs/dbraw/zinc/39/56/89/453395689.db2.gz PDRKKGJDKPRMQI-SFNKJDCFSA-N 3 2 346.519 1.775 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000653202614 453395693 /nfs/dbraw/zinc/39/56/93/453395693.db2.gz PDRKKGJDKPRMQI-SFNKJDCFSA-N 3 2 346.519 1.775 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000646458945 453405519 /nfs/dbraw/zinc/40/55/19/453405519.db2.gz IRUXONGFDVDPMI-LJQANCHMSA-N 2 2 344.503 1.385 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)c1ccccc1 ZINC000646458945 453405534 /nfs/dbraw/zinc/40/55/34/453405534.db2.gz IRUXONGFDVDPMI-LJQANCHMSA-N 2 2 344.503 1.385 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646458945 453405546 /nfs/dbraw/zinc/40/55/46/453405546.db2.gz IRUXONGFDVDPMI-LJQANCHMSA-N 2 2 344.503 1.385 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC(CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000646458945 453405556 /nfs/dbraw/zinc/40/55/56/453405556.db2.gz IRUXONGFDVDPMI-LJQANCHMSA-N 2 2 344.503 1.385 20 0 EDADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000646484356 453430389 /nfs/dbraw/zinc/43/03/89/453430389.db2.gz PKJDAQPXRHIHGD-NEWSRXKRSA-N 2 2 344.503 1.526 20 0 EDADLP Cc1csc2nc(C[NH+]3CCC[C@]4(CC[N@@H+](C)C4)C3)cc(=O)n12 ZINC000660655003 453490570 /nfs/dbraw/zinc/49/05/70/453490570.db2.gz DWDMBDYIDXDCEX-QGZVFWFLSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[NH+]3CCC[C@]4(CC[N@H+](C)C4)C3)cc(=O)n12 ZINC000660655003 453490574 /nfs/dbraw/zinc/49/05/74/453490574.db2.gz DWDMBDYIDXDCEX-QGZVFWFLSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[N@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc(=O)n12 ZINC000660655003 453490581 /nfs/dbraw/zinc/49/05/81/453490581.db2.gz DWDMBDYIDXDCEX-QGZVFWFLSA-N 2 2 332.473 1.982 20 0 EDADLP Cc1csc2nc(C[N@@H+]3CCC[C@]4(CC[NH+](C)C4)C3)cc(=O)n12 ZINC000660655003 453490587 /nfs/dbraw/zinc/49/05/87/453490587.db2.gz DWDMBDYIDXDCEX-QGZVFWFLSA-N 2 2 332.473 1.982 20 0 EDADLP C[C@H](COCC1CC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000651365072 453505238 /nfs/dbraw/zinc/50/52/38/453505238.db2.gz UAOGEMXHFMAOJY-OAHLLOKOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](COCC1CC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000651365072 453505246 /nfs/dbraw/zinc/50/52/46/453505246.db2.gz UAOGEMXHFMAOJY-OAHLLOKOSA-N 2 2 340.512 1.469 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655443046 453530599 /nfs/dbraw/zinc/53/05/99/453530599.db2.gz LMJAXLZYOQPVTQ-QUCCMNQESA-N 2 2 343.471 1.525 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444303 453531451 /nfs/dbraw/zinc/53/14/51/453531451.db2.gz AHFPXDHWFHDYRN-NLWGTHIKSA-N 2 2 343.471 1.566 20 0 EDADLP COC1CC(CCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000660713250 453540875 /nfs/dbraw/zinc/54/08/75/453540875.db2.gz QTRQZIMZHZQMTG-CKDBGZEDSA-N 2 2 338.496 1.269 20 0 EDADLP COC1CC(CCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000660713250 453540881 /nfs/dbraw/zinc/54/08/81/453540881.db2.gz QTRQZIMZHZQMTG-CKDBGZEDSA-N 2 2 338.496 1.269 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662809765 453543675 /nfs/dbraw/zinc/54/36/75/453543675.db2.gz KQZBRRXURGMSMV-OAHLLOKOSA-N 2 2 349.385 1.483 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c2[nH+]ccn21 ZINC000665048059 453553182 /nfs/dbraw/zinc/55/31/82/453553182.db2.gz RATKAYQQMLBSKY-PMPSAXMXSA-N 2 2 347.463 1.785 20 0 EDADLP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850164 453570861 /nfs/dbraw/zinc/57/08/61/453570861.db2.gz NZTQGEQRULPJKH-FTEYMNFISA-N 2 2 341.455 1.098 20 0 EDADLP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850164 453570866 /nfs/dbraw/zinc/57/08/66/453570866.db2.gz NZTQGEQRULPJKH-FTEYMNFISA-N 2 2 341.455 1.098 20 0 EDADLP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000662867663 453580266 /nfs/dbraw/zinc/58/02/66/453580266.db2.gz IKGAQJJBSJHIMA-PVAVHDDUSA-N 2 2 342.418 1.847 20 0 EDADLP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659018430 453582577 /nfs/dbraw/zinc/58/25/77/453582577.db2.gz HJPSGSQMBKJOII-UHFFFAOYSA-N 2 2 346.475 1.982 20 0 EDADLP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N1CCn2c[nH+]cc2C1 ZINC000659046962 453598504 /nfs/dbraw/zinc/59/85/04/453598504.db2.gz PSCXRYSURHCURT-INIZCTEOSA-N 2 2 327.388 1.592 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662909568 453598532 /nfs/dbraw/zinc/59/85/32/453598532.db2.gz GPLSDHSYXAIUPG-GOSISDBHSA-N 2 2 331.460 1.566 20 0 EDADLP COc1ccc(N2C[C@@H]([NH2+][C@@H](C)c3c[nH+]ccc3N)CC2=O)cc1 ZINC000665240833 453621320 /nfs/dbraw/zinc/62/13/20/453621320.db2.gz TYNFIUSEUOMRBR-STQMWFEESA-N 2 2 326.400 1.959 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259327 453628857 /nfs/dbraw/zinc/62/88/57/453628857.db2.gz BPJFTZYZZNRHLF-BFYDXBDKSA-N 2 2 347.438 1.940 20 0 EDADLP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279654 453634123 /nfs/dbraw/zinc/63/41/23/453634123.db2.gz ILUBXJAXUSPPGH-ZCDVPAHGSA-N 2 2 327.432 1.760 20 0 EDADLP CC1(C)C[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000657143924 453703837 /nfs/dbraw/zinc/70/38/37/453703837.db2.gz JGEZULWBHMDSPO-IAGOWNOFSA-N 2 2 329.448 1.282 20 0 EDADLP CC1(C)C[C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)C[N@H+]1Cc1ccccc1 ZINC000657143924 453703841 /nfs/dbraw/zinc/70/38/41/453703841.db2.gz JGEZULWBHMDSPO-IAGOWNOFSA-N 2 2 329.448 1.282 20 0 EDADLP C[NH+](C)CC1(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000661081232 453706113 /nfs/dbraw/zinc/70/61/13/453706113.db2.gz RXBCGGRDEKQHTO-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000665535343 453735573 /nfs/dbraw/zinc/73/55/73/453735573.db2.gz QRSGZCDUOCKYQE-CVEARBPZSA-N 2 2 326.444 1.804 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000665535343 453735577 /nfs/dbraw/zinc/73/55/77/453735577.db2.gz QRSGZCDUOCKYQE-CVEARBPZSA-N 2 2 326.444 1.804 20 0 EDADLP O=C(NC1CC1)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000663304552 453762898 /nfs/dbraw/zinc/76/28/98/453762898.db2.gz REKUJOWZJWRIFH-OALUTQOASA-N 2 2 343.471 1.849 20 0 EDADLP Fc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(F)c1F ZINC000657363679 453774943 /nfs/dbraw/zinc/77/49/43/453774943.db2.gz QULFMXWMSOLAMK-CQSZACIVSA-N 2 2 343.393 1.600 20 0 EDADLP COc1ccccc1N1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1=O ZINC000657394420 453780191 /nfs/dbraw/zinc/78/01/91/453780191.db2.gz JUDBXEKVCCRMBY-CQSZACIVSA-N 2 2 326.400 1.733 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000663373048 453783274 /nfs/dbraw/zinc/78/32/74/453783274.db2.gz WVGJXIWPOHPLNG-HZPDHXFCSA-N 2 2 345.409 1.706 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000663373048 453783276 /nfs/dbraw/zinc/78/32/76/453783276.db2.gz WVGJXIWPOHPLNG-HZPDHXFCSA-N 2 2 345.409 1.706 20 0 EDADLP CO[C@@]1(CO)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661389453 453805369 /nfs/dbraw/zinc/80/53/69/453805369.db2.gz KKQCQTCGCZEHDQ-UXHICEINSA-N 2 2 348.487 1.751 20 0 EDADLP CO[C@@]1(CO)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661389453 453805371 /nfs/dbraw/zinc/80/53/71/453805371.db2.gz KKQCQTCGCZEHDQ-UXHICEINSA-N 2 2 348.487 1.751 20 0 EDADLP CO[C@@]1(CO)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000661389453 453805374 /nfs/dbraw/zinc/80/53/74/453805374.db2.gz KKQCQTCGCZEHDQ-UXHICEINSA-N 2 2 348.487 1.751 20 0 EDADLP CO[C@@]1(CO)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000661389453 453805376 /nfs/dbraw/zinc/80/53/76/453805376.db2.gz KKQCQTCGCZEHDQ-UXHICEINSA-N 2 2 348.487 1.751 20 0 EDADLP CC(C)[NH2+][C@H]1CCCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663490009 453809182 /nfs/dbraw/zinc/80/91/82/453809182.db2.gz OGGNUJAVHDCLRA-HNNXBMFYSA-N 2 2 333.480 1.795 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)CC2 ZINC000679888013 486663807 /nfs/dbraw/zinc/66/38/07/486663807.db2.gz YXIJAEDYCOPUSZ-KRWDZBQOSA-N 2 2 341.459 1.890 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000516174815 486668846 /nfs/dbraw/zinc/66/88/46/486668846.db2.gz ZIKXUZSPFTVGAB-FMKPAKJESA-N 2 2 342.867 1.779 20 0 EDADLP C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676286765 486719754 /nfs/dbraw/zinc/71/97/54/486719754.db2.gz FLPKDGXGMWTILF-RHSMWYFYSA-N 2 2 328.416 1.380 20 0 EDADLP C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676286765 486719761 /nfs/dbraw/zinc/71/97/61/486719761.db2.gz FLPKDGXGMWTILF-RHSMWYFYSA-N 2 2 328.416 1.380 20 0 EDADLP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415643618 486761604 /nfs/dbraw/zinc/76/16/04/486761604.db2.gz JKDMBAQFFRNHQZ-STQMWFEESA-N 2 2 327.388 1.197 20 0 EDADLP Cc1nc(N2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc[nH+]1 ZINC000680591392 486822354 /nfs/dbraw/zinc/82/23/54/486822354.db2.gz ZBUYDLFMNAEGKD-UHFFFAOYSA-N 2 2 337.387 1.787 20 0 EDADLP CC[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC[C@@H]1[NH3+] ZINC000667550029 486840374 /nfs/dbraw/zinc/84/03/74/486840374.db2.gz DJQCOEMYQCFFRY-BBRMVZONSA-N 2 2 341.415 1.397 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000683903384 486858849 /nfs/dbraw/zinc/85/88/49/486858849.db2.gz AMHHUJONKAIAKE-QZTJIDSGSA-N 2 2 331.460 1.731 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000683908531 486861173 /nfs/dbraw/zinc/86/11/73/486861173.db2.gz TUJUKBUFBADVDK-GOSISDBHSA-N 2 2 343.471 1.442 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000683908531 486861177 /nfs/dbraw/zinc/86/11/77/486861177.db2.gz TUJUKBUFBADVDK-GOSISDBHSA-N 2 2 343.471 1.442 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cnc(NCc3c[nH+]cn3C)n2)c1C ZINC000683924190 486868731 /nfs/dbraw/zinc/86/87/31/486868731.db2.gz PDNODXYWHICFNH-UHFFFAOYSA-N 2 2 327.392 1.692 20 0 EDADLP Cc1[nH+]c2ccccn2c1[C@@H]1C(=O)NCCN1Cc1c[nH+]c(C)n1C ZINC000667624313 486886038 /nfs/dbraw/zinc/88/60/38/486886038.db2.gz STIVRCVTAPTUDJ-QGZVFWFLSA-N 2 2 338.415 1.358 20 0 EDADLP [NH3+]Cc1cccc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000667735435 486938734 /nfs/dbraw/zinc/93/87/34/486938734.db2.gz TXXRLHJMAMIVMR-UHFFFAOYSA-N 2 2 344.419 1.318 20 0 EDADLP CN(C(=O)NCc1cccnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681208127 486973245 /nfs/dbraw/zinc/97/32/45/486973245.db2.gz WPUXTMUEWVJDJG-KRWDZBQOSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C(=O)NCc1cccnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681208127 486973248 /nfs/dbraw/zinc/97/32/48/486973248.db2.gz WPUXTMUEWVJDJG-KRWDZBQOSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C(=O)Cn1cncn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290579 487033918 /nfs/dbraw/zinc/03/39/18/487033918.db2.gz NEDNLEPIXDNOHK-SJORKVTESA-N 2 2 348.495 1.074 20 0 EDADLP CN(C(=O)Cn1cncn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290579 487033924 /nfs/dbraw/zinc/03/39/24/487033924.db2.gz NEDNLEPIXDNOHK-SJORKVTESA-N 2 2 348.495 1.074 20 0 EDADLP Cc1ccncc1CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684375400 487041646 /nfs/dbraw/zinc/04/16/46/487041646.db2.gz KUQAHRZEXVQZGO-QGZVFWFLSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1ccncc1CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684375400 487041650 /nfs/dbraw/zinc/04/16/50/487041650.db2.gz KUQAHRZEXVQZGO-QGZVFWFLSA-N 2 2 345.491 1.700 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673770471 487108975 /nfs/dbraw/zinc/10/89/75/487108975.db2.gz LMOZEBLPIAJJAM-UHFFFAOYSA-N 2 2 347.463 1.453 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673770471 487108978 /nfs/dbraw/zinc/10/89/78/487108978.db2.gz LMOZEBLPIAJJAM-UHFFFAOYSA-N 2 2 347.463 1.453 20 0 EDADLP Cc1cn2ccc(NC(=O)NC3CCN(CC[NH+](C)C)CC3)cc2[nH+]1 ZINC000668151015 487120872 /nfs/dbraw/zinc/12/08/72/487120872.db2.gz ONVDOMDFEUFQBI-UHFFFAOYSA-N 2 2 344.463 1.790 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cc4ccccc4n3)C2)CC1 ZINC000673963393 487170565 /nfs/dbraw/zinc/17/05/65/487170565.db2.gz KTIOGVNTIXCLSI-MRXNPFEDSA-N 2 2 341.459 1.321 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cc4ccccc4n3)C2)CC1 ZINC000673963393 487170567 /nfs/dbraw/zinc/17/05/67/487170567.db2.gz KTIOGVNTIXCLSI-MRXNPFEDSA-N 2 2 341.459 1.321 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CCSC1 ZINC000673965912 487171582 /nfs/dbraw/zinc/17/15/82/487171582.db2.gz MBAHLQNAORLWPD-AEFFLSMTSA-N 2 2 348.516 1.600 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CCSC1 ZINC000673965912 487171588 /nfs/dbraw/zinc/17/15/88/487171588.db2.gz MBAHLQNAORLWPD-AEFFLSMTSA-N 2 2 348.516 1.600 20 0 EDADLP CCCCNc1cc(N2CCN(c3cc[nH+]cc3)CC2)nc(N)[nH+]1 ZINC000672144237 487182116 /nfs/dbraw/zinc/18/21/16/487182116.db2.gz NZTAQBWNOXLNAX-UHFFFAOYSA-N 2 2 327.436 1.992 20 0 EDADLP CCCCNc1cc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]c(N)n1 ZINC000672144237 487182119 /nfs/dbraw/zinc/18/21/19/487182119.db2.gz NZTAQBWNOXLNAX-UHFFFAOYSA-N 2 2 327.436 1.992 20 0 EDADLP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000674324475 487237020 /nfs/dbraw/zinc/23/70/20/487237020.db2.gz YXTBOBBVSQEOOQ-INIZCTEOSA-N 3 2 338.540 1.591 20 0 EDADLP COc1ccc(O)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681993060 487273860 /nfs/dbraw/zinc/27/38/60/487273860.db2.gz AUIIXOVPGIPTEW-ZDUSSCGKSA-N 2 2 333.432 1.299 20 0 EDADLP COc1ccc(O)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681993060 487273863 /nfs/dbraw/zinc/27/38/63/487273863.db2.gz AUIIXOVPGIPTEW-ZDUSSCGKSA-N 2 2 333.432 1.299 20 0 EDADLP CNC(=O)N1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678281994 487281194 /nfs/dbraw/zinc/28/11/94/487281194.db2.gz KYZRIBKDMJSRGC-UHFFFAOYSA-N 2 2 346.475 1.618 20 0 EDADLP CN(C(=O)[C@H]1CCc2nccn2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682498739 487377111 /nfs/dbraw/zinc/37/71/11/487377111.db2.gz GSVUSUXJTPRUCW-DOTOQJQBSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2nccn2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682498739 487377113 /nfs/dbraw/zinc/37/71/13/487377113.db2.gz GSVUSUXJTPRUCW-DOTOQJQBSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682498739 487377114 /nfs/dbraw/zinc/37/71/14/487377114.db2.gz GSVUSUXJTPRUCW-DOTOQJQBSA-N 3 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682498739 487377116 /nfs/dbraw/zinc/37/71/16/487377116.db2.gz GSVUSUXJTPRUCW-DOTOQJQBSA-N 3 2 345.491 1.072 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)Cc2ccccc2C1 ZINC000682504612 487377921 /nfs/dbraw/zinc/37/79/21/487377921.db2.gz LRQVBVFFKIORAC-QGZVFWFLSA-N 2 2 338.455 1.661 20 0 EDADLP Cc1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000675806944 487446125 /nfs/dbraw/zinc/44/61/25/487446125.db2.gz AQWKXRYFGQQSKQ-KRWDZBQOSA-N 2 2 326.448 1.551 20 0 EDADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886256 487456594 /nfs/dbraw/zinc/45/65/94/487456594.db2.gz QCVMWFPKMXFMBN-PXNSSMCTSA-N 2 2 329.488 1.978 20 0 EDADLP Cc1cccn2cc(CC[NH2+]C3CCN(S(C)(=O)=O)CC3)[nH+]c12 ZINC000675924885 487459541 /nfs/dbraw/zinc/45/95/41/487459541.db2.gz AJQBTAQMJZHQJM-UHFFFAOYSA-N 2 2 336.461 1.199 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](OC(F)F)C3)cn2)CC1 ZINC000679740123 487462517 /nfs/dbraw/zinc/46/25/17/487462517.db2.gz JFNYVCFIJUIVDQ-CQSZACIVSA-N 2 2 341.406 1.432 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](OC(F)F)C3)cn2)CC1 ZINC000679740123 487462519 /nfs/dbraw/zinc/46/25/19/487462519.db2.gz JFNYVCFIJUIVDQ-CQSZACIVSA-N 2 2 341.406 1.432 20 0 EDADLP CC[C@@H]1CN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[C@@H]1[NH3+] ZINC000669512049 485476917 /nfs/dbraw/zinc/47/69/17/485476917.db2.gz TUSKCMQLRALMOD-ZBFHGGJFSA-N 2 2 329.448 1.954 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000669550316 485543499 /nfs/dbraw/zinc/54/34/99/485543499.db2.gz KSNWHPFVVUGOKO-IXDOHACOSA-N 2 2 332.448 1.049 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000669550316 485543503 /nfs/dbraw/zinc/54/35/03/485543503.db2.gz KSNWHPFVVUGOKO-IXDOHACOSA-N 2 2 332.448 1.049 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)n1cc[nH+]c1 ZINC000584355389 485556312 /nfs/dbraw/zinc/55/63/12/485556312.db2.gz VJMQKZWGAMZTHW-KRWDZBQOSA-N 2 2 347.507 1.710 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000669024514 485573999 /nfs/dbraw/zinc/57/39/99/485573999.db2.gz PLVYCIXIQRMCDN-HOTGVXAUSA-N 2 2 331.464 1.951 20 0 EDADLP O[C@H](COc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986510 485610156 /nfs/dbraw/zinc/61/01/56/485610156.db2.gz VGLLDVUIQLLGPN-MSOLQXFVSA-N 2 2 334.460 1.613 20 0 EDADLP O[C@H](COc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986510 485610165 /nfs/dbraw/zinc/61/01/65/485610165.db2.gz VGLLDVUIQLLGPN-MSOLQXFVSA-N 2 2 334.460 1.613 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669153581 485742751 /nfs/dbraw/zinc/74/27/51/485742751.db2.gz RABYOHZYXJUHRT-JKSUJKDBSA-N 2 2 329.448 1.575 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c[nH+]1 ZINC000669156620 485751362 /nfs/dbraw/zinc/75/13/62/485751362.db2.gz HZHQCJFARBSSAU-HOTGVXAUSA-N 2 2 331.464 1.821 20 0 EDADLP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000236726674 485936135 /nfs/dbraw/zinc/93/61/35/485936135.db2.gz NHFUVJKTOGTWLG-QGZVFWFLSA-N 2 2 349.475 1.387 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)C[C@H]21 ZINC000669387999 486023515 /nfs/dbraw/zinc/02/35/15/486023515.db2.gz QGJSXVCMYBEPDL-DJIMGWMZSA-N 2 2 343.475 1.819 20 0 EDADLP Cn1cc[nH+]c1CN1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000670784150 486200168 /nfs/dbraw/zinc/20/01/68/486200168.db2.gz ITLFDKZRXVCZIU-UHFFFAOYSA-N 2 2 338.415 1.416 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)C[C@H](C)O1 ZINC000670079586 486605264 /nfs/dbraw/zinc/60/52/64/486605264.db2.gz DZLMOTYTUOWJLJ-KBPBESRZSA-N 2 2 349.479 1.579 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)Nc2cc[nH+]cc2N(C)C)C[C@H](C)O1 ZINC000670081317 486607618 /nfs/dbraw/zinc/60/76/18/486607618.db2.gz HGMSOWVLMCEVQF-KBPBESRZSA-N 2 2 335.452 1.190 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[N@H+](C)C1 ZINC000671481391 486614403 /nfs/dbraw/zinc/61/44/03/486614403.db2.gz MKEJFFZQHZSREI-JYJNAYRXSA-N 2 2 335.448 1.560 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[N@@H+](C)C1 ZINC000671481391 486614407 /nfs/dbraw/zinc/61/44/07/486614407.db2.gz MKEJFFZQHZSREI-JYJNAYRXSA-N 2 2 335.448 1.560 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NCCc3c[nH+]cn3C)CC2)[nH+]c1 ZINC000121244697 490998953 /nfs/dbraw/zinc/99/89/53/490998953.db2.gz HSGPXZRJOVYKIQ-UHFFFAOYSA-N 2 2 327.432 1.699 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C(C)C)C3)cc2[nH+]1 ZINC000658000930 500991860 /nfs/dbraw/zinc/99/18/60/500991860.db2.gz HGLSYZABFZPZEN-OAHLLOKOSA-N 2 2 343.431 1.522 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)cc2[nH+]1 ZINC000658000930 500991864 /nfs/dbraw/zinc/99/18/64/500991864.db2.gz HGLSYZABFZPZEN-OAHLLOKOSA-N 2 2 343.431 1.522 20 0 EDADLP COC(=O)c1cccc([C@@H](C(=O)OC)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181110119 534282599 /nfs/dbraw/zinc/28/25/99/534282599.db2.gz CSIJUYFDYORHQD-INIZCTEOSA-N 2 2 345.399 1.906 20 0 EDADLP COC(=O)c1cccc([C@@H](C(=O)OC)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181110119 534282602 /nfs/dbraw/zinc/28/26/02/534282602.db2.gz CSIJUYFDYORHQD-INIZCTEOSA-N 2 2 345.399 1.906 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000578784600 517446017 /nfs/dbraw/zinc/44/60/17/517446017.db2.gz PHIXMTREHPYBQD-LJQANCHMSA-N 2 2 347.503 1.717 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000171663989 534342130 /nfs/dbraw/zinc/34/21/30/534342130.db2.gz LJGZPEDMWJBEDY-UHFFFAOYSA-N 2 2 346.475 1.228 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000153232986 534416395 /nfs/dbraw/zinc/41/63/95/534416395.db2.gz NXCURYNUOGDBAA-IYBDPMFKSA-N 2 2 330.476 1.256 20 0 EDADLP CC(C)(C)CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158688553 527664445 /nfs/dbraw/zinc/66/44/45/527664445.db2.gz BWBGOMSPWZLHDC-UHFFFAOYSA-N 2 2 333.480 1.871 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000174135710 528283042 /nfs/dbraw/zinc/28/30/42/528283042.db2.gz XUCLKSPCCHHFMP-KRWDZBQOSA-N 2 2 347.507 1.575 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000158999232 528582744 /nfs/dbraw/zinc/58/27/44/528582744.db2.gz OZGAUDJHVRYVAV-FUHWJXTLSA-N 2 2 346.475 1.570 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181082798 528633562 /nfs/dbraw/zinc/63/35/62/528633562.db2.gz WJTDTJWNWQGEKA-UHFFFAOYSA-N 2 2 336.436 1.007 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181082798 528633567 /nfs/dbraw/zinc/63/35/67/528633567.db2.gz WJTDTJWNWQGEKA-UHFFFAOYSA-N 2 2 336.436 1.007 20 0 EDADLP CC(C)[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCO1 ZINC000339818355 535259771 /nfs/dbraw/zinc/25/97/71/535259771.db2.gz KGEYQAMLAXCBKP-SFHVURJKSA-N 2 2 349.475 1.671 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCO1 ZINC000339818355 535259776 /nfs/dbraw/zinc/25/97/76/535259776.db2.gz KGEYQAMLAXCBKP-SFHVURJKSA-N 2 2 349.475 1.671 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000270597567 535324838 /nfs/dbraw/zinc/32/48/38/535324838.db2.gz CLQUWXFRCXZJGP-HNNXBMFYSA-N 2 2 338.452 1.512 20 0 EDADLP CCC[NH+](CCC)CCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000270597567 535324845 /nfs/dbraw/zinc/32/48/45/535324845.db2.gz CLQUWXFRCXZJGP-HNNXBMFYSA-N 2 2 338.452 1.512 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000236986503 535346953 /nfs/dbraw/zinc/34/69/53/535346953.db2.gz AYLGRPMWNXXPMF-CVEARBPZSA-N 2 2 346.431 1.770 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(C(=O)OC)c2)CC1 ZINC000264150285 535489274 /nfs/dbraw/zinc/48/92/74/535489274.db2.gz SNQXKWQJONURSJ-UHFFFAOYSA-N 2 2 347.459 1.459 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C ZINC000347540364 535493832 /nfs/dbraw/zinc/49/38/32/535493832.db2.gz XDVSNMCCWYKMKY-KSSFIOAISA-N 2 2 347.463 1.073 20 0 EDADLP CC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000104685874 535548237 /nfs/dbraw/zinc/54/82/37/535548237.db2.gz INOOIHSBMALRIJ-MRXNPFEDSA-N 2 2 345.487 1.996 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000104685874 535548242 /nfs/dbraw/zinc/54/82/42/535548242.db2.gz INOOIHSBMALRIJ-MRXNPFEDSA-N 2 2 345.487 1.996 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000131400335 535597495 /nfs/dbraw/zinc/59/74/95/535597495.db2.gz BFFIUOLHTOEQJI-QGZVFWFLSA-N 2 2 349.523 1.729 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000131400335 535597500 /nfs/dbraw/zinc/59/75/00/535597500.db2.gz BFFIUOLHTOEQJI-QGZVFWFLSA-N 2 2 349.523 1.729 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C)on3)CC2)CC1 ZINC000066568443 535613321 /nfs/dbraw/zinc/61/33/21/535613321.db2.gz JZTAWOOXGWTDJW-UHFFFAOYSA-N 2 2 334.464 1.749 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(CCC(C)C)no3)C2)CC1 ZINC000107368209 535736887 /nfs/dbraw/zinc/73/68/87/535736887.db2.gz RWTIFSKZVZSYRV-MRXNPFEDSA-N 2 2 335.496 1.870 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(CCC(C)C)no3)C2)CC1 ZINC000107368209 535736891 /nfs/dbraw/zinc/73/68/91/535736891.db2.gz RWTIFSKZVZSYRV-MRXNPFEDSA-N 2 2 335.496 1.870 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)CC[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000261913858 536416504 /nfs/dbraw/zinc/41/65/04/536416504.db2.gz WSEXVWLMRZMOCH-MRXNPFEDSA-N 2 2 330.476 1.762 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000270958543 536454330 /nfs/dbraw/zinc/45/43/30/536454330.db2.gz YZDYMVMFKRVKPW-HZPDHXFCSA-N 2 2 338.402 1.667 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000270958543 536454333 /nfs/dbraw/zinc/45/43/33/536454333.db2.gz YZDYMVMFKRVKPW-HZPDHXFCSA-N 2 2 338.402 1.667 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000262443416 536874875 /nfs/dbraw/zinc/87/48/75/536874875.db2.gz GZSLXQSCIQDRFQ-NSHDSACASA-N 2 2 325.434 1.547 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000262443416 536874880 /nfs/dbraw/zinc/87/48/80/536874880.db2.gz GZSLXQSCIQDRFQ-NSHDSACASA-N 2 2 325.434 1.547 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000726257638 578339795 /nfs/dbraw/zinc/33/97/95/578339795.db2.gz ACEPHHKDXBGCRN-CYBMUJFWSA-N 2 2 326.485 1.316 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000726257638 578339797 /nfs/dbraw/zinc/33/97/97/578339797.db2.gz ACEPHHKDXBGCRN-CYBMUJFWSA-N 2 2 326.485 1.316 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)[NH+](C)C)cc1 ZINC000726260978 578340619 /nfs/dbraw/zinc/34/06/19/578340619.db2.gz ZAYIAUMMMNKFBU-FUHWJXTLSA-N 2 2 348.491 1.618 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)[NH+](C)C)cc1 ZINC000726260978 578340620 /nfs/dbraw/zinc/34/06/20/578340620.db2.gz ZAYIAUMMMNKFBU-FUHWJXTLSA-N 2 2 348.491 1.618 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc2c(C(N)=O)cnn2c1 ZINC000727645192 578536527 /nfs/dbraw/zinc/53/65/27/578536527.db2.gz CNNHAIRMMHAQRR-CQSZACIVSA-N 2 2 341.419 1.229 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000729527989 578580730 /nfs/dbraw/zinc/58/07/30/578580730.db2.gz LTGNVIWUURZMDE-QGZVFWFLSA-N 2 2 325.497 1.679 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729527989 578580732 /nfs/dbraw/zinc/58/07/32/578580732.db2.gz LTGNVIWUURZMDE-QGZVFWFLSA-N 2 2 325.497 1.679 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000788042879 578694172 /nfs/dbraw/zinc/69/41/72/578694172.db2.gz PUHDFOLWHIUQKI-OAHLLOKOSA-N 2 2 330.388 1.533 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000788042879 578694174 /nfs/dbraw/zinc/69/41/74/578694174.db2.gz PUHDFOLWHIUQKI-OAHLLOKOSA-N 2 2 330.388 1.533 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000732288236 578703037 /nfs/dbraw/zinc/70/30/37/578703037.db2.gz JTDRPGXHNVXUGR-UHFFFAOYSA-N 2 2 349.523 1.967 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000732288236 578703039 /nfs/dbraw/zinc/70/30/39/578703039.db2.gz JTDRPGXHNVXUGR-UHFFFAOYSA-N 2 2 349.523 1.967 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4c([nH]c3=O)CCC4)C2)CC1 ZINC000732781678 578728255 /nfs/dbraw/zinc/72/82/55/578728255.db2.gz RYQCPDPAIDNKGR-CQSZACIVSA-N 2 2 344.459 1.174 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4c([nH]c3=O)CCC4)C2)CC1 ZINC000732781678 578728256 /nfs/dbraw/zinc/72/82/56/578728256.db2.gz RYQCPDPAIDNKGR-CQSZACIVSA-N 2 2 344.459 1.174 20 0 EDADLP COc1cc[nH+]c(N2CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)c1 ZINC000733189750 578751293 /nfs/dbraw/zinc/75/12/93/578751293.db2.gz HKZLQZSDVNQGRH-UHFFFAOYSA-N 2 2 340.431 1.807 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000733189909 578751333 /nfs/dbraw/zinc/75/13/33/578751333.db2.gz KQRSXXQKEGFDLZ-UHFFFAOYSA-N 2 2 346.479 1.067 20 0 EDADLP C[C@@H](Cc1ccco1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734267692 578805674 /nfs/dbraw/zinc/80/56/74/578805674.db2.gz AKNTWYBHUMKLKE-LSDHHAIUSA-N 2 2 334.464 1.678 20 0 EDADLP C[C@@H](Cc1ccco1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734267692 578805675 /nfs/dbraw/zinc/80/56/75/578805675.db2.gz AKNTWYBHUMKLKE-LSDHHAIUSA-N 2 2 334.464 1.678 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000736225830 578964949 /nfs/dbraw/zinc/96/49/49/578964949.db2.gz FCRHSDQRERSBOO-WFASDCNBSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000736225830 578964950 /nfs/dbraw/zinc/96/49/50/578964950.db2.gz FCRHSDQRERSBOO-WFASDCNBSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736225830 578964951 /nfs/dbraw/zinc/96/49/51/578964951.db2.gz FCRHSDQRERSBOO-WFASDCNBSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000736225830 578964952 /nfs/dbraw/zinc/96/49/52/578964952.db2.gz FCRHSDQRERSBOO-WFASDCNBSA-N 2 2 343.435 1.220 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1-c1nn[nH]n1 ZINC000737092197 579046354 /nfs/dbraw/zinc/04/63/54/579046354.db2.gz KPUDFAQWFQQUDA-ZDUSSCGKSA-N 2 2 339.403 1.739 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000746002931 579569572 /nfs/dbraw/zinc/56/95/72/579569572.db2.gz NUNKKSLMKWZUJM-HOTGVXAUSA-N 2 2 348.466 1.499 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000746002931 579569574 /nfs/dbraw/zinc/56/95/74/579569574.db2.gz NUNKKSLMKWZUJM-HOTGVXAUSA-N 2 2 348.466 1.499 20 0 EDADLP [NH3+]CCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000746307470 579586376 /nfs/dbraw/zinc/58/63/76/579586376.db2.gz PBBDRCPMOJUGSP-UHFFFAOYSA-N 2 2 331.338 1.578 20 0 EDADLP CC1=C(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(=O)OC1(C)C ZINC000748568721 579693250 /nfs/dbraw/zinc/69/32/50/579693250.db2.gz BMLXKEQXGWUXLH-UHFFFAOYSA-N 2 2 349.475 1.313 20 0 EDADLP CC[NH+]1CCC(NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000749198536 579716369 /nfs/dbraw/zinc/71/63/69/579716369.db2.gz CJFQPTITFRJGDT-UHFFFAOYSA-N 2 2 328.420 1.551 20 0 EDADLP O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000750044099 579749709 /nfs/dbraw/zinc/74/97/09/579749709.db2.gz CVTIYUDQSQQLFN-INIZCTEOSA-N 2 2 325.416 1.854 20 0 EDADLP O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000750044099 579749710 /nfs/dbraw/zinc/74/97/10/579749710.db2.gz CVTIYUDQSQQLFN-INIZCTEOSA-N 2 2 325.416 1.854 20 0 EDADLP O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000750044101 579749729 /nfs/dbraw/zinc/74/97/29/579749729.db2.gz CVTIYUDQSQQLFN-MRXNPFEDSA-N 2 2 325.416 1.854 20 0 EDADLP O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000750044101 579749730 /nfs/dbraw/zinc/74/97/30/579749730.db2.gz CVTIYUDQSQQLFN-MRXNPFEDSA-N 2 2 325.416 1.854 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)c(N(C)C)[nH+]1 ZINC000750216929 579756174 /nfs/dbraw/zinc/75/61/74/579756174.db2.gz REGMLGNNUYMSGX-UHFFFAOYSA-N 2 2 335.452 1.241 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)c(N(C)C)[nH+]1 ZINC000750216929 579756175 /nfs/dbraw/zinc/75/61/75/579756175.db2.gz REGMLGNNUYMSGX-UHFFFAOYSA-N 2 2 335.452 1.241 20 0 EDADLP Cc1noc(C2CC2)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000751633195 579815128 /nfs/dbraw/zinc/81/51/28/579815128.db2.gz DUJMTORKVRIJHI-CQSZACIVSA-N 2 2 332.448 1.759 20 0 EDADLP Cc1noc(C2CC2)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000751633195 579815129 /nfs/dbraw/zinc/81/51/29/579815129.db2.gz DUJMTORKVRIJHI-CQSZACIVSA-N 2 2 332.448 1.759 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccccc1I ZINC000752110972 579838671 /nfs/dbraw/zinc/83/86/71/579838671.db2.gz FMBUOSBIFSLXEN-ZDUSSCGKSA-N 2 2 348.228 1.693 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(F)(F)C1(O)CCC1 ZINC000752968548 579869541 /nfs/dbraw/zinc/86/95/41/579869541.db2.gz YMQCYFCNKAAZFY-UHFFFAOYSA-N 2 2 333.423 1.021 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(F)(F)C1(O)CCC1 ZINC000752968548 579869542 /nfs/dbraw/zinc/86/95/42/579869542.db2.gz YMQCYFCNKAAZFY-UHFFFAOYSA-N 2 2 333.423 1.021 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000763718285 580105011 /nfs/dbraw/zinc/10/50/11/580105011.db2.gz WBEAGSOZDJWIJK-IAGOWNOFSA-N 2 2 334.464 1.731 20 0 EDADLP Cc1ccccc1[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000767458180 580190333 /nfs/dbraw/zinc/19/03/33/580190333.db2.gz PGROAJFFUBSNLG-ROUUACIJSA-N 2 2 331.460 1.443 20 0 EDADLP Cc1ccccc1[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000767458180 580190334 /nfs/dbraw/zinc/19/03/34/580190334.db2.gz PGROAJFFUBSNLG-ROUUACIJSA-N 2 2 331.460 1.443 20 0 EDADLP OCCCC[NH+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000782517066 580576680 /nfs/dbraw/zinc/57/66/80/580576680.db2.gz ZFAKOFRGNJOBKV-UHFFFAOYSA-N 2 2 328.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000784590270 580624544 /nfs/dbraw/zinc/62/45/44/580624544.db2.gz XLSFKNLAMHNEGM-DOTOQJQBSA-N 2 2 347.459 1.385 20 0 EDADLP Nc1cc(COC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc[nH+]1 ZINC000791857159 580803839 /nfs/dbraw/zinc/80/38/39/580803839.db2.gz QYYFQFXWBAYOSU-SFHVURJKSA-N 2 2 341.411 1.905 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795131816 580913995 /nfs/dbraw/zinc/91/39/95/580913995.db2.gz PJIOIGBVBSQNGI-XHSDSOJGSA-N 2 2 340.537 1.140 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000795131816 580913996 /nfs/dbraw/zinc/91/39/96/580913996.db2.gz PJIOIGBVBSQNGI-XHSDSOJGSA-N 2 2 340.537 1.140 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000796263650 580949432 /nfs/dbraw/zinc/94/94/32/580949432.db2.gz BWDKZJUJJGKWHJ-UHFFFAOYSA-N 3 2 325.526 1.320 20 0 EDADLP O=C1N=NCN1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000798193948 580990351 /nfs/dbraw/zinc/99/03/51/580990351.db2.gz RYLAKSFLQDBAOH-UHFFFAOYSA-N 2 2 325.376 1.402 20 0 EDADLP CCN1C(=O)CN(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000799943822 581039410 /nfs/dbraw/zinc/03/94/10/581039410.db2.gz VSXKCVHUYDKWOM-AWEZNQCLSA-N 2 2 345.447 1.640 20 0 EDADLP CCN1C(=O)CN(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000799943822 581039411 /nfs/dbraw/zinc/03/94/11/581039411.db2.gz VSXKCVHUYDKWOM-AWEZNQCLSA-N 2 2 345.447 1.640 20 0 EDADLP CCN1C(=O)CN(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000799943823 581039431 /nfs/dbraw/zinc/03/94/31/581039431.db2.gz VSXKCVHUYDKWOM-CQSZACIVSA-N 2 2 345.447 1.640 20 0 EDADLP CCN1C(=O)CN(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000799943823 581039432 /nfs/dbraw/zinc/03/94/32/581039432.db2.gz VSXKCVHUYDKWOM-CQSZACIVSA-N 2 2 345.447 1.640 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891915149 590686206 /nfs/dbraw/zinc/68/62/06/590686206.db2.gz FRZCMWOXFSCLTJ-UHFFFAOYSA-N 2 2 326.400 1.735 20 0 EDADLP C[C@H](C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2)[NH+](C)C ZINC000893343168 590791130 /nfs/dbraw/zinc/79/11/30/590791130.db2.gz FHCPDIAGQAGUPE-ILXRZTDVSA-N 2 2 341.496 1.989 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000892148325 590822590 /nfs/dbraw/zinc/82/25/90/590822590.db2.gz XRXUSTJBVKBASA-DLBZAZTESA-N 2 2 334.464 1.232 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000892148325 590822592 /nfs/dbraw/zinc/82/25/92/590822592.db2.gz XRXUSTJBVKBASA-DLBZAZTESA-N 2 2 334.464 1.232 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1F ZINC000892154111 590825570 /nfs/dbraw/zinc/82/55/70/590825570.db2.gz VNQZBYROCZWDAI-ZBFHGGJFSA-N 2 2 336.455 1.687 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1F ZINC000892154111 590825572 /nfs/dbraw/zinc/82/55/72/590825572.db2.gz VNQZBYROCZWDAI-ZBFHGGJFSA-N 2 2 336.455 1.687 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)Cc2ccc[nH+]c21 ZINC000892187141 590853418 /nfs/dbraw/zinc/85/34/18/590853418.db2.gz ITJZGADIIBSYPU-FVQBIDKESA-N 2 2 329.448 1.431 20 0 EDADLP C[NH+](C)CCNC(=O)c1cccc(CNc2nccn3c[nH+]cc23)c1 ZINC000892291407 590919097 /nfs/dbraw/zinc/91/90/97/590919097.db2.gz AUNFGFIGKCXSRP-UHFFFAOYSA-N 2 2 338.415 1.633 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000892408908 591015517 /nfs/dbraw/zinc/01/55/17/591015517.db2.gz PKDCHLKUJNEECE-PMPSAXMXSA-N 2 2 330.444 1.567 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000892408908 591015522 /nfs/dbraw/zinc/01/55/22/591015522.db2.gz PKDCHLKUJNEECE-PMPSAXMXSA-N 2 2 330.444 1.567 20 0 EDADLP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000892471841 591039356 /nfs/dbraw/zinc/03/93/56/591039356.db2.gz VMAVZXXXBKCGCG-UHFFFAOYSA-N 2 2 349.504 1.727 20 0 EDADLP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000892471841 591039360 /nfs/dbraw/zinc/03/93/60/591039360.db2.gz VMAVZXXXBKCGCG-UHFFFAOYSA-N 2 2 349.504 1.727 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c[nH+]1 ZINC000891347772 591053119 /nfs/dbraw/zinc/05/31/19/591053119.db2.gz LZCAXIWUFWLNQJ-OAHLLOKOSA-N 2 2 347.463 1.106 20 0 EDADLP Cc1cc(N)nc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)[nH+]1 ZINC000892510431 591053422 /nfs/dbraw/zinc/05/34/22/591053422.db2.gz YECQIQLWCYCJCE-UHFFFAOYSA-N 2 2 346.479 1.504 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)c1 ZINC000892546688 591068015 /nfs/dbraw/zinc/06/80/15/591068015.db2.gz JKUPZMVAFFENDR-KSZLIROESA-N 2 2 346.475 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)c1 ZINC000892546688 591068019 /nfs/dbraw/zinc/06/80/19/591068019.db2.gz JKUPZMVAFFENDR-KSZLIROESA-N 2 2 346.475 1.232 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000892565781 591075112 /nfs/dbraw/zinc/07/51/12/591075112.db2.gz JMVHDVLLPSPFEY-CQSZACIVSA-N 2 2 327.469 1.602 20 0 EDADLP OCc1c[nH+]ccc1NC[C@H](c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000891488808 591091274 /nfs/dbraw/zinc/09/12/74/591091274.db2.gz BKQNSMFNMNZQPH-GOSISDBHSA-N 2 2 331.391 1.620 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC[NH2+][C@H](C)C3)C2)c1 ZINC000892609397 591093506 /nfs/dbraw/zinc/09/35/06/591093506.db2.gz OVKYZJVGTSPGMH-AEFFLSMTSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC[NH2+][C@H](C)C3)C2)c1 ZINC000892609397 591093511 /nfs/dbraw/zinc/09/35/11/591093511.db2.gz OVKYZJVGTSPGMH-AEFFLSMTSA-N 2 2 346.475 1.199 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891507420 591099947 /nfs/dbraw/zinc/09/99/47/591099947.db2.gz QZZMIICRIUURMK-GOSISDBHSA-N 2 2 338.496 1.272 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891507420 591099952 /nfs/dbraw/zinc/09/99/52/591099952.db2.gz QZZMIICRIUURMK-GOSISDBHSA-N 2 2 338.496 1.272 20 0 EDADLP CCN(C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000891565087 591127985 /nfs/dbraw/zinc/12/79/85/591127985.db2.gz KUMIBUPERTZQMM-DOMZBBRYSA-N 2 2 340.418 1.961 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[NH+](Cc3ccccn3)CC2)nc[nH+]1 ZINC000891611787 591150136 /nfs/dbraw/zinc/15/01/36/591150136.db2.gz VWXZNKYKFALUEJ-OAHLLOKOSA-N 2 2 342.447 1.377 20 0 EDADLP COc1cc(C[NH+]2CCN(c3nc(N)cc(C)[nH+]3)CC2)cc(OC)c1 ZINC000892781586 591173772 /nfs/dbraw/zinc/17/37/72/591173772.db2.gz BHDNQMWXTDJUAC-UHFFFAOYSA-N 2 2 343.431 1.707 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000891706113 591193610 /nfs/dbraw/zinc/19/36/10/591193610.db2.gz ZBXAWJYCHHWDBN-HUUCEWRRSA-N 2 2 326.404 1.113 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000891706113 591193611 /nfs/dbraw/zinc/19/36/11/591193611.db2.gz ZBXAWJYCHHWDBN-HUUCEWRRSA-N 2 2 326.404 1.113 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000895664624 591243868 /nfs/dbraw/zinc/24/38/68/591243868.db2.gz AHYPISMYUUNILE-OAHLLOKOSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000895664624 591243870 /nfs/dbraw/zinc/24/38/70/591243870.db2.gz AHYPISMYUUNILE-OAHLLOKOSA-N 2 2 331.464 1.823 20 0 EDADLP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)OC ZINC000895687097 591249233 /nfs/dbraw/zinc/24/92/33/591249233.db2.gz ZSNZNIPAQQSMRI-KSZLIROESA-N 2 2 327.513 1.434 20 0 EDADLP CO[C@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000895684797 591252561 /nfs/dbraw/zinc/25/25/61/591252561.db2.gz GIMMVEYBPGSOEB-RBUKOAKNSA-N 2 2 339.524 1.578 20 0 EDADLP CC[C@H](CO)Nc1cc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000893001385 591252585 /nfs/dbraw/zinc/25/25/85/591252585.db2.gz MAXNJIWPPNGKRB-FRRDWIJNSA-N 2 2 325.482 1.141 20 0 EDADLP CSC(C)(C)CC[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895684495 591252712 /nfs/dbraw/zinc/25/27/12/591252712.db2.gz CVXRANJRJJDUSC-MRXNPFEDSA-N 2 2 329.554 1.904 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Nc3cnn(C4CCC4)c3)C2)CC1 ZINC000893022941 591258320 /nfs/dbraw/zinc/25/83/20/591258320.db2.gz OCCFAVFAKLYPPR-CQSZACIVSA-N 2 2 346.479 1.898 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Nc3cnn(C4CCC4)c3)C2)CC1 ZINC000893022941 591258322 /nfs/dbraw/zinc/25/83/22/591258322.db2.gz OCCFAVFAKLYPPR-CQSZACIVSA-N 2 2 346.479 1.898 20 0 EDADLP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000895772610 591270754 /nfs/dbraw/zinc/27/07/54/591270754.db2.gz SFRYMABOAFNLKM-CQSZACIVSA-N 2 2 332.429 1.319 20 0 EDADLP Cc1ccn2cc(CNC(=O)C3C[NH+](C4CCOCC4)C3)[nH+]c2c1 ZINC000895829004 591283712 /nfs/dbraw/zinc/28/37/12/591283712.db2.gz MTPVGBNKKLHROG-UHFFFAOYSA-N 2 2 328.416 1.370 20 0 EDADLP Cn1nc(Br)nc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000894385848 591297652 /nfs/dbraw/zinc/29/76/52/591297652.db2.gz VIMQMLRMJBVUNR-UHFFFAOYSA-N 2 2 338.253 1.929 20 0 EDADLP COCC[NH+](CCOC)C1CCN(Cc2[nH+]ccn2C2CC2)CC1 ZINC000894424325 591308652 /nfs/dbraw/zinc/30/86/52/591308652.db2.gz XTMXSNGTESBHBD-UHFFFAOYSA-N 2 2 336.480 1.777 20 0 EDADLP CCCSC[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000896031710 591325521 /nfs/dbraw/zinc/32/55/21/591325521.db2.gz XJJRYYCOQSPCQW-IAGOWNOFSA-N 2 2 329.554 1.904 20 0 EDADLP CCO[C@H](CNc1cc(N2CCSCC2)nc[nH+]1)C[NH+](C)C ZINC000896115955 591349685 /nfs/dbraw/zinc/34/96/85/591349685.db2.gz CQXDFXVLKCAWIC-CYBMUJFWSA-N 2 2 325.482 1.408 20 0 EDADLP CCO[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)C[NH+](C)C ZINC000896115955 591349689 /nfs/dbraw/zinc/34/96/89/591349689.db2.gz CQXDFXVLKCAWIC-CYBMUJFWSA-N 2 2 325.482 1.408 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898494010 591378838 /nfs/dbraw/zinc/37/88/38/591378838.db2.gz CVVSYSJMKMLTIX-HOTGVXAUSA-N 2 2 329.460 1.330 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898494010 591378841 /nfs/dbraw/zinc/37/88/41/591378841.db2.gz CVVSYSJMKMLTIX-HOTGVXAUSA-N 2 2 329.460 1.330 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1(F)F ZINC000894676139 591385000 /nfs/dbraw/zinc/38/50/00/591385000.db2.gz OBQWOKNVXZNNMC-MGPQQGTHSA-N 2 2 332.391 1.085 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1(F)F ZINC000894676139 591385004 /nfs/dbraw/zinc/38/50/04/591385004.db2.gz OBQWOKNVXZNNMC-MGPQQGTHSA-N 2 2 332.391 1.085 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC(C)(C)C2)[C@H](C)CO1 ZINC000898588510 591418028 /nfs/dbraw/zinc/41/80/28/591418028.db2.gz KNUGJCGAOKHGJT-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC(C)(C)C2)[C@H](C)CO1 ZINC000898588510 591418031 /nfs/dbraw/zinc/41/80/31/591418031.db2.gz KNUGJCGAOKHGJT-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CCC(C)(C)C2)[C@H](C)CO1 ZINC000898588510 591418034 /nfs/dbraw/zinc/41/80/34/591418034.db2.gz KNUGJCGAOKHGJT-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP COc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cn(C)c[nH+]2)c1 ZINC000898620565 591444571 /nfs/dbraw/zinc/44/45/71/591444571.db2.gz OPLVXEILRLLVJD-UHFFFAOYSA-N 2 2 345.447 1.702 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000897456285 591461814 /nfs/dbraw/zinc/46/18/14/591461814.db2.gz WTEITPIQTUSRCE-YJBOKZPZSA-N 2 2 349.475 1.259 20 0 EDADLP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000897456285 591461817 /nfs/dbraw/zinc/46/18/17/591461817.db2.gz WTEITPIQTUSRCE-YJBOKZPZSA-N 2 2 349.475 1.259 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)C(=O)NC ZINC000894949765 591495913 /nfs/dbraw/zinc/49/59/13/591495913.db2.gz OKBPPXXKPPVJRZ-LBPRGKRZSA-N 2 2 343.374 1.684 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC000897493751 591497386 /nfs/dbraw/zinc/49/73/86/591497386.db2.gz IAIRZCQEEQTPIF-XJKSGUPXSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897493751 591497388 /nfs/dbraw/zinc/49/73/88/591497388.db2.gz IAIRZCQEEQTPIF-XJKSGUPXSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000897493751 591497389 /nfs/dbraw/zinc/49/73/89/591497389.db2.gz IAIRZCQEEQTPIF-XJKSGUPXSA-N 2 2 349.479 1.094 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000897548124 591546953 /nfs/dbraw/zinc/54/69/53/591546953.db2.gz ADAJZDJOASBBNX-IAGOWNOFSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000897548124 591546956 /nfs/dbraw/zinc/54/69/56/591546956.db2.gz ADAJZDJOASBBNX-IAGOWNOFSA-N 2 2 338.496 1.225 20 0 EDADLP O=C(NCCNc1cc[nH+]cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000729600982 591559167 /nfs/dbraw/zinc/55/91/67/591559167.db2.gz IEXMSCLPTBXDSV-UHFFFAOYSA-N 2 2 336.399 1.601 20 0 EDADLP CC[C@@H]1C[C@H](C[NH+]2CCN(c3nc(N)[nH+]c(C4CC4)n3)CC2)CCO1 ZINC000897574069 591563121 /nfs/dbraw/zinc/56/31/21/591563121.db2.gz SYYMTZIEINEVHI-UKRRQHHQSA-N 2 2 346.479 1.658 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000898893067 591588346 /nfs/dbraw/zinc/58/83/46/591588346.db2.gz YFQBBFREQSGDCH-KRWDZBQOSA-N 2 2 342.443 1.869 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000897691406 591625130 /nfs/dbraw/zinc/62/51/30/591625130.db2.gz BHIGKZXFEJTATG-SFHVURJKSA-N 2 2 346.431 1.796 20 0 EDADLP COC(=O)c1c[nH]c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1C1CC1 ZINC000895472852 591769488 /nfs/dbraw/zinc/76/94/88/591769488.db2.gz JYEWPHSXHQDKJR-UHFFFAOYSA-N 2 2 343.431 1.734 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cn21 ZINC000895531542 591790060 /nfs/dbraw/zinc/79/00/60/591790060.db2.gz AHZPEKHCBHVXDL-GASCZTMLSA-N 2 2 327.432 1.388 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cn21 ZINC000895531542 591790063 /nfs/dbraw/zinc/79/00/63/591790063.db2.gz AHZPEKHCBHVXDL-GASCZTMLSA-N 2 2 327.432 1.388 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC(C[NH3+])(c3ccccc3)CC2)nc[nH+]1 ZINC000900019516 591870480 /nfs/dbraw/zinc/87/04/80/591870480.db2.gz BZCDVEJCQWKEHB-OAHLLOKOSA-N 2 2 341.459 1.766 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC(C[NH3+])(c3ccccc3)CC2)[nH+]cn1 ZINC000900019516 591870482 /nfs/dbraw/zinc/87/04/82/591870482.db2.gz BZCDVEJCQWKEHB-OAHLLOKOSA-N 2 2 341.459 1.766 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C12CC[NH+](CC1)C2 ZINC000900013693 591872716 /nfs/dbraw/zinc/87/27/16/591872716.db2.gz OEKAKPKPEWTSJG-KRWDZBQOSA-N 2 2 329.444 1.099 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C12CC[NH+](CC1)C2 ZINC000900013693 591872719 /nfs/dbraw/zinc/87/27/19/591872719.db2.gz OEKAKPKPEWTSJG-KRWDZBQOSA-N 2 2 329.444 1.099 20 0 EDADLP C/C(=C\C(=O)NCCc1cn2c([nH+]1)CCCC2)C[NH+]1CCOCC1 ZINC000900134563 591913465 /nfs/dbraw/zinc/91/34/65/591913465.db2.gz IAUJHQPCTDCVDY-NTCAYCPXSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@H](CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[NH+]1CCOCC1 ZINC000900162411 591923031 /nfs/dbraw/zinc/92/30/31/591923031.db2.gz DSWJNKLQZMQJFI-CQSZACIVSA-N 2 2 330.432 1.741 20 0 EDADLP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1=O ZINC000902169040 591937206 /nfs/dbraw/zinc/93/72/06/591937206.db2.gz BWOOGNUMAHHLQZ-CQSZACIVSA-N 2 2 335.448 1.040 20 0 EDADLP COc1c[nH]c(CO)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1=O ZINC000902169040 591937208 /nfs/dbraw/zinc/93/72/08/591937208.db2.gz BWOOGNUMAHHLQZ-CQSZACIVSA-N 2 2 335.448 1.040 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1=O ZINC000902169040 591937211 /nfs/dbraw/zinc/93/72/11/591937211.db2.gz BWOOGNUMAHHLQZ-CQSZACIVSA-N 2 2 335.448 1.040 20 0 EDADLP COc1c[nH]c(CO)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1=O ZINC000902169040 591937212 /nfs/dbraw/zinc/93/72/12/591937212.db2.gz BWOOGNUMAHHLQZ-CQSZACIVSA-N 2 2 335.448 1.040 20 0 EDADLP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)c2ccc(F)c(F)c2)CC1 ZINC000902227009 591949788 /nfs/dbraw/zinc/94/97/88/591949788.db2.gz OVLLSWHZSJAZSV-UHFFFAOYSA-N 2 2 340.374 1.412 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)C1([NH3+])CC1 ZINC000902360837 591985920 /nfs/dbraw/zinc/98/59/20/591985920.db2.gz KORXEZGUBHDODB-CQSZACIVSA-N 2 2 337.489 1.831 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000900367477 591998479 /nfs/dbraw/zinc/99/84/79/591998479.db2.gz QXDUHRHKWBSJAG-UHFFFAOYSA-N 2 2 344.503 1.535 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000900367477 591998482 /nfs/dbraw/zinc/99/84/82/591998482.db2.gz QXDUHRHKWBSJAG-UHFFFAOYSA-N 2 2 344.503 1.535 20 0 EDADLP Cc1nc2c(cnn2-c2ccccc2)c(N2CC[NH2+]CC[NH2+]CC2)n1 ZINC000900370163 591999194 /nfs/dbraw/zinc/99/91/94/591999194.db2.gz WDNNIFKZHVDGQA-UHFFFAOYSA-N 2 2 337.431 1.123 20 0 EDADLP C[C@@H]1CN(c2cc(N3CC[C@H](C[NH3+])[C@H](C)C3)nc[nH+]2)CC[C@H]1C[NH3+] ZINC000900385952 592002862 /nfs/dbraw/zinc/00/28/62/592002862.db2.gz YVUXLJNVTPHJEV-FPCVCCKLSA-N 3 2 332.496 1.319 20 0 EDADLP C[C@@H]1CN(c2cc(N3CC[C@H](C[NH3+])[C@H](C)C3)[nH+]cn2)CC[C@H]1C[NH3+] ZINC000900385952 592002864 /nfs/dbraw/zinc/00/28/64/592002864.db2.gz YVUXLJNVTPHJEV-FPCVCCKLSA-N 3 2 332.496 1.319 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)CCC2 ZINC000902485268 592005416 /nfs/dbraw/zinc/00/54/16/592005416.db2.gz ZAMFRQHXEWUVBA-PBHICJAKSA-N 2 2 337.489 1.833 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@@]3(C2)CCCC[NH2+]3)nc[nH+]1 ZINC000900400877 592008665 /nfs/dbraw/zinc/00/86/65/592008665.db2.gz DDUCEESJNWQXHK-MAUKXSAKSA-N 2 2 331.464 1.550 20 0 EDADLP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000902785649 592059065 /nfs/dbraw/zinc/05/90/65/592059065.db2.gz HMIGNVCYRQIFQZ-GVDBMIGSSA-N 2 2 325.497 1.866 20 0 EDADLP CCO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000902785649 592059067 /nfs/dbraw/zinc/05/90/67/592059067.db2.gz HMIGNVCYRQIFQZ-GVDBMIGSSA-N 2 2 325.497 1.866 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)nn1 ZINC000902769291 592059452 /nfs/dbraw/zinc/05/94/52/592059452.db2.gz WZXBSBZCRWKDES-HNNXBMFYSA-N 2 2 343.479 1.686 20 0 EDADLP Cc1ccc(O)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900669306 592086928 /nfs/dbraw/zinc/08/69/28/592086928.db2.gz KCEHOFKSKZKYFP-INIZCTEOSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1ccc(O)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900669306 592086930 /nfs/dbraw/zinc/08/69/30/592086930.db2.gz KCEHOFKSKZKYFP-INIZCTEOSA-N 2 2 331.460 1.941 20 0 EDADLP CN(C)c1cccnc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693663 592097241 /nfs/dbraw/zinc/09/72/41/592097241.db2.gz ZOJYGKYOZSMZCD-UHFFFAOYSA-N 2 2 333.480 1.246 20 0 EDADLP CN(C)c1cccnc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693663 592097242 /nfs/dbraw/zinc/09/72/42/592097242.db2.gz ZOJYGKYOZSMZCD-UHFFFAOYSA-N 2 2 333.480 1.246 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)CNc2cccc[nH+]2)[C@@H](C)C1 ZINC000900731245 592110740 /nfs/dbraw/zinc/11/07/40/592110740.db2.gz JUJDUWUDLJFXDF-HOTGVXAUSA-N 2 2 334.464 1.747 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)CNc2cccc[nH+]2)[C@@H](C)C1 ZINC000900731245 592110742 /nfs/dbraw/zinc/11/07/42/592110742.db2.gz JUJDUWUDLJFXDF-HOTGVXAUSA-N 2 2 334.464 1.747 20 0 EDADLP C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903078675 592116464 /nfs/dbraw/zinc/11/64/64/592116464.db2.gz AQBSQEWNSJLFLB-CYBMUJFWSA-N 2 2 336.461 1.838 20 0 EDADLP O=C1C[C@H]([NH2+][C@H](c2ccccn2)C2CC2)CN1CC[NH+]1CCOCC1 ZINC000903118632 592123358 /nfs/dbraw/zinc/12/33/58/592123358.db2.gz GFFZPCZWVMLAPO-LPHOPBHVSA-N 2 2 344.459 1.055 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCN2Cc3ccccc3OCC2=O)C[N@@H+]1C1CC1 ZINC000903182451 592132191 /nfs/dbraw/zinc/13/21/91/592132191.db2.gz QYQKFXWAMRHHSE-HOCLYGCPSA-N 2 2 329.444 1.622 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCN2Cc3ccccc3OCC2=O)C[N@H+]1C1CC1 ZINC000903182451 592132194 /nfs/dbraw/zinc/13/21/94/592132194.db2.gz QYQKFXWAMRHHSE-HOCLYGCPSA-N 2 2 329.444 1.622 20 0 EDADLP Cc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000903435122 592169450 /nfs/dbraw/zinc/16/94/50/592169450.db2.gz OZJLVKOHSQKHTL-SJORKVTESA-N 2 2 331.460 1.374 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)N1CCN(c2ccccc2)CC1 ZINC000903470479 592175243 /nfs/dbraw/zinc/17/52/43/592175243.db2.gz MCUSATVLGXAVHK-WMZOPIPTSA-N 2 2 342.487 1.598 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903484682 592177805 /nfs/dbraw/zinc/17/78/05/592177805.db2.gz VEBUJZNEBGMYTD-MSOLQXFVSA-N 3 2 344.503 1.670 20 0 EDADLP C/C(=C\C(=O)NCCCNc1ccc(C)c[nH+]1)C[NH+]1CCOCC1 ZINC000900936857 592178337 /nfs/dbraw/zinc/17/83/37/592178337.db2.gz IINHDRWICWEHKL-FOWTUZBSSA-N 2 2 332.448 1.587 20 0 EDADLP C/C(=C\C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)C[NH+]1CCOCC1 ZINC000900959787 592185857 /nfs/dbraw/zinc/18/58/57/592185857.db2.gz NJRGDAJECYFUQP-VMEIHUARSA-N 2 2 332.448 1.461 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc(OC)c1 ZINC000901011030 592195182 /nfs/dbraw/zinc/19/51/82/592195182.db2.gz WPOBENKWDIPNRC-CQSZACIVSA-N 2 2 344.415 1.360 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]c[nH]3)C2)cc(OC)c1 ZINC000901011030 592195183 /nfs/dbraw/zinc/19/51/83/592195183.db2.gz WPOBENKWDIPNRC-CQSZACIVSA-N 2 2 344.415 1.360 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]c[nH]3)C2)cc(OC)c1 ZINC000901011030 592195185 /nfs/dbraw/zinc/19/51/85/592195185.db2.gz WPOBENKWDIPNRC-CQSZACIVSA-N 2 2 344.415 1.360 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)/C=C/c2ccccc2F)CC1 ZINC000903565944 592212672 /nfs/dbraw/zinc/21/26/72/592212672.db2.gz VHQYKSAVFPKWML-KPKJPENVSA-N 2 2 327.425 1.139 20 0 EDADLP CC1(C)CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1[NH3+] ZINC000903558927 592219527 /nfs/dbraw/zinc/21/95/27/592219527.db2.gz UVEYVYZNRLAGRK-OAHLLOKOSA-N 2 2 336.505 1.061 20 0 EDADLP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC000904333979 592232808 /nfs/dbraw/zinc/23/28/08/592232808.db2.gz HZCDXQKIOAJQFM-TXEJJXNPSA-N 2 2 345.415 1.008 20 0 EDADLP COc1cccc(C(=O)N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903724498 592283506 /nfs/dbraw/zinc/28/35/06/592283506.db2.gz OBHWFUWJGHZZJO-INIZCTEOSA-N 2 2 331.460 1.843 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c(C)o1 ZINC000903722910 592283752 /nfs/dbraw/zinc/28/37/52/592283752.db2.gz QNCAKDHCBQXFJP-APWZRJJASA-N 2 2 347.459 1.423 20 0 EDADLP C/C(=C/C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000901203460 592285361 /nfs/dbraw/zinc/28/53/61/592285361.db2.gz QKHKEWQLKDUPSD-BBLCHGJFSA-N 2 2 335.492 1.455 20 0 EDADLP C/C(=C/C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C[NH+]1CCOCC1 ZINC000901203467 592285408 /nfs/dbraw/zinc/28/54/08/592285408.db2.gz QKHKEWQLKDUPSD-ZUTYSQTGSA-N 2 2 335.492 1.455 20 0 EDADLP CCO[C@@H]1C[NH2+][C@H](c2nc(-c3cccnc3-n3cc[nH+]c3)no2)C1 ZINC000904572551 592289443 /nfs/dbraw/zinc/28/94/43/592289443.db2.gz QROHXQQRTSMFTN-AAEUAGOBSA-N 2 2 326.360 1.757 20 0 EDADLP Cc1cn(C)nc1CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000903746079 592293559 /nfs/dbraw/zinc/29/35/59/592293559.db2.gz VQNJLQICBKWKNH-INIZCTEOSA-N 2 2 328.464 1.606 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000908085580 592293900 /nfs/dbraw/zinc/29/39/00/592293900.db2.gz UWEVMURBWMYYPU-UHFFFAOYSA-N 2 2 347.507 1.642 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000908085580 592293902 /nfs/dbraw/zinc/29/39/02/592293902.db2.gz UWEVMURBWMYYPU-UHFFFAOYSA-N 2 2 347.507 1.642 20 0 EDADLP CC(C)(C)c1nc(CN2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)no1 ZINC000903739657 592301703 /nfs/dbraw/zinc/30/17/03/592301703.db2.gz NOTBKJUHVLDLGF-OAHLLOKOSA-N 2 2 335.496 1.874 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741221 592302677 /nfs/dbraw/zinc/30/26/77/592302677.db2.gz ONSRJWFBPJGSGO-RBUKOAKNSA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741221 592302684 /nfs/dbraw/zinc/30/26/84/592302684.db2.gz ONSRJWFBPJGSGO-RBUKOAKNSA-N 3 2 338.540 1.103 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]4CC[C@@]43C[NH3+])CC2)c1 ZINC000903855117 592347248 /nfs/dbraw/zinc/34/72/48/592347248.db2.gz LORQEAWEAOYKAU-FXAWDEMLSA-N 2 2 342.487 1.457 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]4CC[C@@]43C[NH3+])CC2)c1 ZINC000903855117 592347253 /nfs/dbraw/zinc/34/72/53/592347253.db2.gz LORQEAWEAOYKAU-FXAWDEMLSA-N 2 2 342.487 1.457 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901727441 592446310 /nfs/dbraw/zinc/44/63/10/592446310.db2.gz HEMPVNRNPFFCBX-MNOVXSKESA-N 2 2 343.269 1.807 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905398795 592520734 /nfs/dbraw/zinc/52/07/34/592520734.db2.gz GTOFJMCCPCOJFY-ONGXEEELSA-N 2 2 334.329 1.370 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905398795 592520735 /nfs/dbraw/zinc/52/07/35/592520735.db2.gz GTOFJMCCPCOJFY-ONGXEEELSA-N 2 2 334.329 1.370 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccnn2CC[NH+](C)C)CC1(C)C ZINC000908548751 592534244 /nfs/dbraw/zinc/53/42/44/592534244.db2.gz MIIDVBVPHDQGGI-CQSZACIVSA-N 2 2 330.436 1.402 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CC[C@@H](O)[C@@H](O)CC3)c2cc1C ZINC000905468110 592543747 /nfs/dbraw/zinc/54/37/47/592543747.db2.gz VQZVJSGFVNVMJM-VVWQDTPRSA-N 2 2 347.459 1.268 20 0 EDADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)c1 ZINC000905524573 592560674 /nfs/dbraw/zinc/56/06/74/592560674.db2.gz JSKDBKPSPFIDBJ-OAHLLOKOSA-N 2 2 338.452 1.513 20 0 EDADLP Cc1cc(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000905693898 592624774 /nfs/dbraw/zinc/62/47/74/592624774.db2.gz JXZLMFDUTUKYJR-INIZCTEOSA-N 2 2 339.443 1.840 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1Cn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000905730993 592630684 /nfs/dbraw/zinc/63/06/84/592630684.db2.gz BOZHZAZRNPZQEF-HYVNUMGLSA-N 2 2 342.447 1.102 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1Cn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000905730993 592630687 /nfs/dbraw/zinc/63/06/87/592630687.db2.gz BOZHZAZRNPZQEF-HYVNUMGLSA-N 2 2 342.447 1.102 20 0 EDADLP CC[C@H](C)[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC ZINC000905762862 592639603 /nfs/dbraw/zinc/63/96/03/592639603.db2.gz VKIVAZNSDNBGQH-ZENOOKHLSA-N 2 2 335.452 1.664 20 0 EDADLP CC[C@@](O)(C[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(F)(F)F ZINC000905937147 592689200 /nfs/dbraw/zinc/68/92/00/592689200.db2.gz ZUJNWWKQEIPADO-SMDDNHRTSA-N 2 2 347.385 1.780 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000907516160 592699334 /nfs/dbraw/zinc/69/93/34/592699334.db2.gz SKIXZJOPXSCSGE-UHFFFAOYSA-N 2 2 327.432 1.818 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC2CC2)C[C@H]2C[NH+](C)CCO2)C1 ZINC000907579644 592720626 /nfs/dbraw/zinc/72/06/26/592720626.db2.gz ZLLBMSFYXMCSJT-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N(CC2CC2)C[C@H]2C[NH+](C)CCO2)C1 ZINC000907579644 592720630 /nfs/dbraw/zinc/72/06/30/592720630.db2.gz ZLLBMSFYXMCSJT-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000907579644 592720633 /nfs/dbraw/zinc/72/06/33/592720633.db2.gz ZLLBMSFYXMCSJT-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000907579644 592720636 /nfs/dbraw/zinc/72/06/36/592720636.db2.gz ZLLBMSFYXMCSJT-QZTJIDSGSA-N 2 2 337.508 1.678 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907614577 592740708 /nfs/dbraw/zinc/74/07/08/592740708.db2.gz PONMTTHDHPDLRH-UHFFFAOYSA-N 2 2 348.491 1.377 20 0 EDADLP CN1CC[N@H+](C)CC(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000906250687 592763548 /nfs/dbraw/zinc/76/35/48/592763548.db2.gz OVPOVRLZPQOBLK-UHFFFAOYSA-N 2 2 345.491 1.182 20 0 EDADLP CN1CC[N@@H+](C)CC(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000906250687 592763550 /nfs/dbraw/zinc/76/35/50/592763550.db2.gz OVPOVRLZPQOBLK-UHFFFAOYSA-N 2 2 345.491 1.182 20 0 EDADLP CC(=O)CCn1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000906292773 592781957 /nfs/dbraw/zinc/78/19/57/592781957.db2.gz IXGLOJYRYLSWOZ-JKSUJKDBSA-N 2 2 333.480 2.000 20 0 EDADLP CC(=O)CCn1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000906292773 592781961 /nfs/dbraw/zinc/78/19/61/592781961.db2.gz IXGLOJYRYLSWOZ-JKSUJKDBSA-N 2 2 333.480 2.000 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)c2ccc(NCc3[nH+]ccn3C)cc2)C1 ZINC000910473292 592868259 /nfs/dbraw/zinc/86/82/59/592868259.db2.gz BVYQKNBTGZYKTA-INIZCTEOSA-N 2 2 327.432 1.856 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)c2ccc(NCc3[nH+]ccn3C)cc2)C1 ZINC000910473292 592868260 /nfs/dbraw/zinc/86/82/60/592868260.db2.gz BVYQKNBTGZYKTA-INIZCTEOSA-N 2 2 327.432 1.856 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000911642782 592964944 /nfs/dbraw/zinc/96/49/44/592964944.db2.gz NQEYQJLPERGPMP-GOSISDBHSA-N 2 2 343.431 1.197 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCCCC1CC[NH2+]CC1 ZINC000911229767 592970152 /nfs/dbraw/zinc/97/01/52/592970152.db2.gz MVHRONKHLYQRDX-HNNXBMFYSA-N 2 2 349.479 1.064 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)O1 ZINC000911739612 592993723 /nfs/dbraw/zinc/99/37/23/592993723.db2.gz VWANGWZCLTWIOG-CXAGYDPISA-N 2 2 326.400 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)Nc2c[nH+]ccc2Nc2ccccc2)O1 ZINC000911739612 592993725 /nfs/dbraw/zinc/99/37/25/592993725.db2.gz VWANGWZCLTWIOG-CXAGYDPISA-N 2 2 326.400 1.905 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc(C)[nH+]1 ZINC000911314298 592997374 /nfs/dbraw/zinc/99/73/74/592997374.db2.gz JOPJBOUFJIOGGF-IAGOWNOFSA-N 2 2 338.411 1.056 20 0 EDADLP CCN(C(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1)[C@H]1CC[N@H+](C)C1 ZINC000912306142 593085530 /nfs/dbraw/zinc/08/55/30/593085530.db2.gz HYLPKEKHWSVUTB-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CCN(C(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1)[C@H]1CC[N@@H+](C)C1 ZINC000912306142 593085531 /nfs/dbraw/zinc/08/55/31/593085531.db2.gz HYLPKEKHWSVUTB-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CCN(C(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1)[C@H]1CC[NH+](C)C1 ZINC000912306142 593085532 /nfs/dbraw/zinc/08/55/32/593085532.db2.gz HYLPKEKHWSVUTB-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CCN(C(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1)[C@H]1CC[NH+](C)C1 ZINC000912306142 593085533 /nfs/dbraw/zinc/08/55/33/593085533.db2.gz HYLPKEKHWSVUTB-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000912532758 593103678 /nfs/dbraw/zinc/10/36/78/593103678.db2.gz YYQJNZLNIHGVCI-OAHLLOKOSA-N 2 2 343.431 1.615 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H]2CCn3cc[nH+]c32)C[C@@H](C)O1 ZINC000838638055 593199584 /nfs/dbraw/zinc/19/95/84/593199584.db2.gz IBLSITOXYPWOKG-WCVJEAGWSA-N 2 2 347.463 1.611 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000802732884 593273935 /nfs/dbraw/zinc/27/39/35/593273935.db2.gz IQMNBRSDCJGYRO-ZSZQSSIHSA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000802732884 593273937 /nfs/dbraw/zinc/27/39/37/593273937.db2.gz IQMNBRSDCJGYRO-ZSZQSSIHSA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1=O ZINC000802732884 593273938 /nfs/dbraw/zinc/27/39/38/593273938.db2.gz IQMNBRSDCJGYRO-ZSZQSSIHSA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1=O ZINC000802732884 593273939 /nfs/dbraw/zinc/27/39/39/593273939.db2.gz IQMNBRSDCJGYRO-ZSZQSSIHSA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000802732879 593274071 /nfs/dbraw/zinc/27/40/71/593274071.db2.gz IQMNBRSDCJGYRO-SIXWZSSISA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000802732879 593274074 /nfs/dbraw/zinc/27/40/74/593274074.db2.gz IQMNBRSDCJGYRO-SIXWZSSISA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1=O ZINC000802732879 593274077 /nfs/dbraw/zinc/27/40/77/593274077.db2.gz IQMNBRSDCJGYRO-SIXWZSSISA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1=O ZINC000802732879 593274079 /nfs/dbraw/zinc/27/40/79/593274079.db2.gz IQMNBRSDCJGYRO-SIXWZSSISA-N 2 2 348.491 1.861 20 0 EDADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H](O)c1ccccc1 ZINC000808720068 593282822 /nfs/dbraw/zinc/28/28/22/593282822.db2.gz MLMAVNVAILXQJR-FXAWDEMLSA-N 2 2 347.503 1.495 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@@H](O)c1ccccc1 ZINC000808720068 593282823 /nfs/dbraw/zinc/28/28/23/593282823.db2.gz MLMAVNVAILXQJR-FXAWDEMLSA-N 2 2 347.503 1.495 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(N(C)C)[nH+]1 ZINC000839591949 593346055 /nfs/dbraw/zinc/34/60/55/593346055.db2.gz MTYQUYSAOVAPGS-AWEZNQCLSA-N 2 2 347.463 1.243 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(N(C)C)[nH+]1 ZINC000839591949 593346056 /nfs/dbraw/zinc/34/60/56/593346056.db2.gz MTYQUYSAOVAPGS-AWEZNQCLSA-N 2 2 347.463 1.243 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000758238635 593398070 /nfs/dbraw/zinc/39/80/70/593398070.db2.gz WBRAFMPAUCXSRU-QIIPPGSGSA-N 2 2 345.447 1.834 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000758238635 593398073 /nfs/dbraw/zinc/39/80/73/593398073.db2.gz WBRAFMPAUCXSRU-QIIPPGSGSA-N 2 2 345.447 1.834 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C(=O)[C@]12CCCO2 ZINC000840039160 593404464 /nfs/dbraw/zinc/40/44/64/593404464.db2.gz ZREBPSCVPRZELT-MPGHIAIKSA-N 2 2 332.448 1.583 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C(=O)[C@]12CCCO2 ZINC000840039160 593404465 /nfs/dbraw/zinc/40/44/65/593404465.db2.gz ZREBPSCVPRZELT-MPGHIAIKSA-N 2 2 332.448 1.583 20 0 EDADLP CC1(C)C(=O)N(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]1[C@H]1CCCO1 ZINC000811747543 593478245 /nfs/dbraw/zinc/47/82/45/593478245.db2.gz FSPIEOYVVIENBL-BRWVUGGUSA-N 2 2 335.492 1.778 20 0 EDADLP CC1(C)C(=O)N(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]1[C@H]1CCCO1 ZINC000811747543 593478246 /nfs/dbraw/zinc/47/82/46/593478246.db2.gz FSPIEOYVVIENBL-BRWVUGGUSA-N 2 2 335.492 1.778 20 0 EDADLP Cc1nnc2cc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)ncn12 ZINC000840278141 593514723 /nfs/dbraw/zinc/51/47/23/593514723.db2.gz NOIOXEIQTCXRBZ-XYPWUTKMSA-N 2 2 341.463 1.180 20 0 EDADLP Cc1nnc2cc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)ncn12 ZINC000840278141 593514724 /nfs/dbraw/zinc/51/47/24/593514724.db2.gz NOIOXEIQTCXRBZ-XYPWUTKMSA-N 2 2 341.463 1.180 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000816919292 593558454 /nfs/dbraw/zinc/55/84/54/593558454.db2.gz HPFAGBWGYFUANP-FUHWJXTLSA-N 2 2 331.460 1.206 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000816919292 593558455 /nfs/dbraw/zinc/55/84/55/593558455.db2.gz HPFAGBWGYFUANP-FUHWJXTLSA-N 2 2 331.460 1.206 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(CC(N)=O)CC3)CC2)cc1 ZINC000817410715 593603010 /nfs/dbraw/zinc/60/30/10/593603010.db2.gz GGAWUPYXEBTYGJ-UHFFFAOYSA-N 2 2 330.476 1.967 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@](C)(O)c1ccccc1 ZINC000817534018 593610759 /nfs/dbraw/zinc/61/07/59/593610759.db2.gz SRMABCKSXZQTCT-IBGZPJMESA-N 2 2 333.476 1.379 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@](C)(O)c1ccccc1 ZINC000817534018 593610760 /nfs/dbraw/zinc/61/07/60/593610760.db2.gz SRMABCKSXZQTCT-IBGZPJMESA-N 2 2 333.476 1.379 20 0 EDADLP [NH3+][C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000817892695 593645914 /nfs/dbraw/zinc/64/59/14/593645914.db2.gz OVLWCGPJJGBNLH-QZTJIDSGSA-N 2 2 345.468 1.840 20 0 EDADLP O[C@@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)COCc1cccs1 ZINC000818947154 593729672 /nfs/dbraw/zinc/72/96/72/593729672.db2.gz KAUAOQUYTVDZHF-HNNXBMFYSA-N 2 2 344.440 1.996 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCC3(C)OCCO3)c2cc1C ZINC000819227386 593745591 /nfs/dbraw/zinc/74/55/91/593745591.db2.gz GOERROWAYYDRJM-OAHLLOKOSA-N 2 2 333.432 1.757 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)N1CC[NH+](C)CC1 ZINC000820810398 593895152 /nfs/dbraw/zinc/89/51/52/593895152.db2.gz WGPOEQBTYQGDHL-HBFSDRIKSA-N 3 2 330.520 1.875 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)N1CC[NH+](C)CC1 ZINC000820810398 593895153 /nfs/dbraw/zinc/89/51/53/593895153.db2.gz WGPOEQBTYQGDHL-HBFSDRIKSA-N 3 2 330.520 1.875 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000820829186 593899509 /nfs/dbraw/zinc/89/95/09/593899509.db2.gz GEJUMECIGBRBMG-NXWXRZEISA-N 2 2 345.487 1.875 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)CC[N@H+]1Cc1ccccc1 ZINC000820829186 593899511 /nfs/dbraw/zinc/89/95/11/593899511.db2.gz GEJUMECIGBRBMG-NXWXRZEISA-N 2 2 345.487 1.875 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821691250 593916079 /nfs/dbraw/zinc/91/60/79/593916079.db2.gz NWNGZEPHHFUVOD-CQSZACIVSA-N 2 2 334.399 1.206 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821691250 593916080 /nfs/dbraw/zinc/91/60/80/593916080.db2.gz NWNGZEPHHFUVOD-CQSZACIVSA-N 2 2 334.399 1.206 20 0 EDADLP CC[NH+](CC)CCNc1c(-c2nn[nH]n2)c[nH+]c2c(C)cccc12 ZINC000821189586 593986474 /nfs/dbraw/zinc/98/64/74/593986474.db2.gz PMMUSERYXHZLKD-UHFFFAOYSA-N 2 2 325.420 1.899 20 0 EDADLP Cc1cc(C(F)(F)F)nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000824437870 594012096 /nfs/dbraw/zinc/01/20/96/594012096.db2.gz DHJSMCDLPNQRAT-UHFFFAOYSA-N 2 2 347.385 1.417 20 0 EDADLP Cc1cc(C(F)(F)F)nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000824437870 594012098 /nfs/dbraw/zinc/01/20/98/594012098.db2.gz DHJSMCDLPNQRAT-UHFFFAOYSA-N 2 2 347.385 1.417 20 0 EDADLP COC[C@]1(c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)CC[NH2+]C1 ZINC000822780133 594099540 /nfs/dbraw/zinc/09/95/40/594099540.db2.gz CXYDGIFBTQZXDS-KRWDZBQOSA-N 2 2 327.388 1.494 20 0 EDADLP COC(=O)C[C@H]([NH3+])c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000822785541 594100431 /nfs/dbraw/zinc/10/04/31/594100431.db2.gz SWBJOAOQYVABGV-NSHDSACASA-N 2 2 328.332 1.189 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C=O)sc1Cl ZINC000824955359 594104775 /nfs/dbraw/zinc/10/47/75/594104775.db2.gz ASIDVNLEMFEHPM-UHFFFAOYSA-N 2 2 331.869 1.827 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C=O)sc1Cl ZINC000824955359 594104776 /nfs/dbraw/zinc/10/47/76/594104776.db2.gz ASIDVNLEMFEHPM-UHFFFAOYSA-N 2 2 331.869 1.827 20 0 EDADLP CNC(=O)Nc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000824956751 594105125 /nfs/dbraw/zinc/10/51/25/594105125.db2.gz JEEITNDFHOTKQB-UHFFFAOYSA-N 2 2 335.452 1.051 20 0 EDADLP CNC(=O)Nc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000824956751 594105126 /nfs/dbraw/zinc/10/51/26/594105126.db2.gz JEEITNDFHOTKQB-UHFFFAOYSA-N 2 2 335.452 1.051 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3noc(C[C@H]4COCC[NH2+]4)n3)C2)cc1 ZINC000822950890 594127346 /nfs/dbraw/zinc/12/73/46/594127346.db2.gz FBKBDXGNMIEDCE-JKSUJKDBSA-N 2 2 344.415 1.174 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3noc(C[C@H]4COCC[NH2+]4)n3)C2)cc1 ZINC000822950890 594127347 /nfs/dbraw/zinc/12/73/47/594127347.db2.gz FBKBDXGNMIEDCE-JKSUJKDBSA-N 2 2 344.415 1.174 20 0 EDADLP Cc1cn2ccc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2[nH+]1 ZINC000825146262 594136223 /nfs/dbraw/zinc/13/62/23/594136223.db2.gz CHRRBZQBTMHIRR-IAGOWNOFSA-N 3 2 343.475 1.454 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)C[C@@H]2C1 ZINC000823028527 594139851 /nfs/dbraw/zinc/13/98/51/594139851.db2.gz HNUFKGMKVATZLW-KGLIPLIRSA-N 2 2 326.400 1.602 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)C[C@@H]2C1 ZINC000823028527 594139853 /nfs/dbraw/zinc/13/98/53/594139853.db2.gz HNUFKGMKVATZLW-KGLIPLIRSA-N 2 2 326.400 1.602 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000825168895 594141047 /nfs/dbraw/zinc/14/10/47/594141047.db2.gz DITNVHXTMKLGCN-QGZVFWFLSA-N 2 2 331.460 1.579 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc(OC)c1 ZINC000829922521 594292652 /nfs/dbraw/zinc/29/26/52/594292652.db2.gz GQZVWQYRQMUIEW-AWEZNQCLSA-N 2 2 344.415 1.360 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc(OC)c1 ZINC000829922521 594292655 /nfs/dbraw/zinc/29/26/55/594292655.db2.gz GQZVWQYRQMUIEW-AWEZNQCLSA-N 2 2 344.415 1.360 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000827963417 594311418 /nfs/dbraw/zinc/31/14/18/594311418.db2.gz KRUNZEVZHILFFE-RYUDHWBXSA-N 2 2 342.875 1.601 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000827963417 594311419 /nfs/dbraw/zinc/31/14/19/594311419.db2.gz KRUNZEVZHILFFE-RYUDHWBXSA-N 2 2 342.875 1.601 20 0 EDADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826146762 594347462 /nfs/dbraw/zinc/34/74/62/594347462.db2.gz CKDQNEKMSCKFPU-CYBMUJFWSA-N 2 2 330.436 1.628 20 0 EDADLP Cn1cnc(/C=C\C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC000828137109 594349640 /nfs/dbraw/zinc/34/96/40/594349640.db2.gz VDSSTUGUXFXBJJ-ARJAWSKDSA-N 2 2 326.404 1.219 20 0 EDADLP CN(C)c1cc(CN2C(=O)N[C@]3(CCCC[C@@H]3C[NH3+])C2=O)cc[nH+]1 ZINC000830448343 594398018 /nfs/dbraw/zinc/39/80/18/594398018.db2.gz MRHYLLGKARZVSD-DYVFJYSZSA-N 2 2 331.420 1.087 20 0 EDADLP c1ccc(NC[C@@H]2CC[N@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)[nH+]c1 ZINC000826522028 594516372 /nfs/dbraw/zinc/51/63/72/594516372.db2.gz ITDQHJCAQLCEJT-AWEZNQCLSA-N 2 2 336.403 1.591 20 0 EDADLP c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccnc(-c4nn[nH]n4)c3)C2)[nH+]c1 ZINC000826522028 594516373 /nfs/dbraw/zinc/51/63/73/594516373.db2.gz ITDQHJCAQLCEJT-AWEZNQCLSA-N 2 2 336.403 1.591 20 0 EDADLP [NH3+]CCCCCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000831099363 594555946 /nfs/dbraw/zinc/55/59/46/594555946.db2.gz FKEJIFJCCAUBBM-UHFFFAOYSA-N 2 2 335.452 1.237 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@]2(O)CCc3ccccc32)CC1 ZINC000829317970 594597059 /nfs/dbraw/zinc/59/70/59/594597059.db2.gz BOQHYYCOBGSLPN-OXJNMPFZSA-N 2 2 345.487 1.305 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@]2(O)CCc3ccccc32)CC1 ZINC000829317970 594597060 /nfs/dbraw/zinc/59/70/60/594597060.db2.gz BOQHYYCOBGSLPN-OXJNMPFZSA-N 2 2 345.487 1.305 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])C2CC2)[NH+]2CCOCC2)cc1 ZINC000827440853 594672302 /nfs/dbraw/zinc/67/23/02/594672302.db2.gz NDCGYNOLBCLNSB-MSOLQXFVSA-N 2 2 331.460 1.612 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)[C@H](C[NH3+])C1 ZINC000841066561 594846904 /nfs/dbraw/zinc/84/69/04/594846904.db2.gz NFIKQFPJCLRJLH-CQSZACIVSA-N 2 2 335.427 1.533 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)[C@H](C[NH3+])C1 ZINC000841066561 594846906 /nfs/dbraw/zinc/84/69/06/594846906.db2.gz NFIKQFPJCLRJLH-CQSZACIVSA-N 2 2 335.427 1.533 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000841999583 594998510 /nfs/dbraw/zinc/99/85/10/594998510.db2.gz MACHGHQSKUUQAM-LBPRGKRZSA-N 2 2 327.498 1.322 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845698624 595045521 /nfs/dbraw/zinc/04/55/21/595045521.db2.gz NKJCKWFQAOJLIN-GFCCVEGCSA-N 2 2 339.440 1.179 20 0 EDADLP CCO[C@@H]1CN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C[C@H]1C[NH3+] ZINC000846144053 595155854 /nfs/dbraw/zinc/15/58/54/595155854.db2.gz KUTBTYKYYJOKQS-UKRRQHHQSA-N 2 2 336.436 1.212 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000843068871 595280092 /nfs/dbraw/zinc/28/00/92/595280092.db2.gz MFKMKNJJNBOAJC-IUODEOHRSA-N 2 2 332.366 1.784 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C1CC1 ZINC000843068871 595280093 /nfs/dbraw/zinc/28/00/93/595280093.db2.gz MFKMKNJJNBOAJC-IUODEOHRSA-N 2 2 332.366 1.784 20 0 EDADLP COC(=O)c1cc2ccccc2cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846670001 595297213 /nfs/dbraw/zinc/29/72/13/595297213.db2.gz SROYVCIGWPWASQ-HNNXBMFYSA-N 2 2 329.400 1.844 20 0 EDADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218881 595305232 /nfs/dbraw/zinc/30/52/32/595305232.db2.gz DFKPVTKUFBUUSV-KRWDZBQOSA-N 2 2 346.475 1.536 20 0 EDADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218881 595305234 /nfs/dbraw/zinc/30/52/34/595305234.db2.gz DFKPVTKUFBUUSV-KRWDZBQOSA-N 2 2 346.475 1.536 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000844225311 595309336 /nfs/dbraw/zinc/30/93/36/595309336.db2.gz MWJQOWTWAIYUOX-RHSMWYFYSA-N 2 2 332.448 1.131 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000844225311 595309337 /nfs/dbraw/zinc/30/93/37/595309337.db2.gz MWJQOWTWAIYUOX-RHSMWYFYSA-N 2 2 332.448 1.131 20 0 EDADLP C[NH+](C)CCOc1ccc([NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000846749438 595312913 /nfs/dbraw/zinc/31/29/13/595312913.db2.gz ZYFVZTDNLGPLIY-UHFFFAOYSA-N 2 2 326.462 1.864 20 0 EDADLP CCN1C[C@@H](C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)OC1=O ZINC000846770298 595314832 /nfs/dbraw/zinc/31/48/32/595314832.db2.gz PMARACSZEMZIDW-OAHLLOKOSA-N 2 2 347.463 1.871 20 0 EDADLP Cc1nn(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(=O)n1C ZINC000844691780 595374364 /nfs/dbraw/zinc/37/43/64/595374364.db2.gz MLOYQTHPRAZPLT-UHFFFAOYSA-N 2 2 343.475 1.692 20 0 EDADLP Cc1nn(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(=O)n1C ZINC000844691780 595374367 /nfs/dbraw/zinc/37/43/67/595374367.db2.gz MLOYQTHPRAZPLT-UHFFFAOYSA-N 2 2 343.475 1.692 20 0 EDADLP c1cn(-c2ncccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000848517464 595401398 /nfs/dbraw/zinc/40/13/98/595401398.db2.gz DLJJKAVOJLLROH-QGZVFWFLSA-N 2 2 327.432 1.610 20 0 EDADLP c1cn(-c2ncccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c[nH+]1 ZINC000848517464 595401399 /nfs/dbraw/zinc/40/13/99/595401399.db2.gz DLJJKAVOJLLROH-QGZVFWFLSA-N 3 2 327.432 1.610 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3noc(CC[NH2+]C4CC4)n3)C2)cc1 ZINC000848625519 595419117 /nfs/dbraw/zinc/41/91/17/595419117.db2.gz JVUKZEWRBVBUNT-MRXNPFEDSA-N 2 2 328.416 1.938 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3noc(CC[NH2+]C4CC4)n3)C2)cc1 ZINC000848625519 595419120 /nfs/dbraw/zinc/41/91/20/595419120.db2.gz JVUKZEWRBVBUNT-MRXNPFEDSA-N 2 2 328.416 1.938 20 0 EDADLP Cn1c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2oc1=O ZINC000848930772 595469426 /nfs/dbraw/zinc/46/94/26/595469426.db2.gz WJUSDDCUINIMCO-MRXNPFEDSA-N 2 2 345.443 1.818 20 0 EDADLP Cn1c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc2oc1=O ZINC000848930772 595469428 /nfs/dbraw/zinc/46/94/28/595469428.db2.gz WJUSDDCUINIMCO-MRXNPFEDSA-N 2 2 345.443 1.818 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000108459032 595504331 /nfs/dbraw/zinc/50/43/31/595504331.db2.gz CGWBEYYGWCOWET-QGZVFWFLSA-N 2 2 331.460 1.612 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000108459032 595504333 /nfs/dbraw/zinc/50/43/33/595504333.db2.gz CGWBEYYGWCOWET-QGZVFWFLSA-N 2 2 331.460 1.612 20 0 EDADLP COC(=O)NC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000852763308 595532310 /nfs/dbraw/zinc/53/23/10/595532310.db2.gz ONADVQDFTOEOMR-UHFFFAOYSA-N 2 2 347.459 1.839 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2[nH+]ccn2C)[C@@H](c2cnn(C)c2)C1 ZINC000849520520 595557127 /nfs/dbraw/zinc/55/71/27/595557127.db2.gz NLSFYEKVVAJGJL-JKSUJKDBSA-N 2 2 344.463 1.284 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C(=O)NCc2[nH+]ccn2C)[C@@H](c2cnn(C)c2)C1 ZINC000849520520 595557130 /nfs/dbraw/zinc/55/71/30/595557130.db2.gz NLSFYEKVVAJGJL-JKSUJKDBSA-N 2 2 344.463 1.284 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849553088 595563243 /nfs/dbraw/zinc/56/32/43/595563243.db2.gz QGMZSOKTBIKHAD-HOTGVXAUSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C(=O)NCc2c[nH+]c[nH]2)[C@H](c2cnn(C)c2)C1 ZINC000849553088 595563245 /nfs/dbraw/zinc/56/32/45/595563245.db2.gz QGMZSOKTBIKHAD-HOTGVXAUSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)[C@H](c2cnn(C)c2)C1 ZINC000849553088 595563250 /nfs/dbraw/zinc/56/32/50/595563250.db2.gz QGMZSOKTBIKHAD-HOTGVXAUSA-N 2 2 330.436 1.274 20 0 EDADLP CC(C)[N@H+]1CC[C@H](C(=O)NCc2c[nH]c[nH+]2)[C@H](c2cnn(C)c2)C1 ZINC000849553088 595563254 /nfs/dbraw/zinc/56/32/54/595563254.db2.gz QGMZSOKTBIKHAD-HOTGVXAUSA-N 2 2 330.436 1.274 20 0 EDADLP C[C@@H](c1cccc(NC(=O)C2=NO[C@H](C[NH3+])C2)c1)[NH+]1CCOCC1 ZINC000852867254 595586904 /nfs/dbraw/zinc/58/69/04/595586904.db2.gz SGZAMYMIICZJAV-WFASDCNBSA-N 2 2 332.404 1.122 20 0 EDADLP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000853098224 595663812 /nfs/dbraw/zinc/66/38/12/595663812.db2.gz LNBXAWLRRHRHTM-IBGZPJMESA-N 3 2 341.459 1.312 20 0 EDADLP Cc1nc(Cl)ccc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414715 595704577 /nfs/dbraw/zinc/70/45/77/595704577.db2.gz KALMWVXAVGQBJS-UHFFFAOYSA-N 2 2 326.872 1.586 20 0 EDADLP Cc1nc(Cl)ccc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414715 595704579 /nfs/dbraw/zinc/70/45/79/595704579.db2.gz KALMWVXAVGQBJS-UHFFFAOYSA-N 2 2 326.872 1.586 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(Br)c1 ZINC000855414728 595704668 /nfs/dbraw/zinc/70/46/68/595704668.db2.gz KBTLQMUQDYYQEK-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(Br)c1 ZINC000855414728 595704670 /nfs/dbraw/zinc/70/46/70/595704670.db2.gz KBTLQMUQDYYQEK-UHFFFAOYSA-N 2 2 343.269 1.457 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000855416323 595705348 /nfs/dbraw/zinc/70/53/48/595705348.db2.gz KQKBYZHFATWIHK-QGZVFWFLSA-N 2 2 332.448 1.504 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000855416323 595705350 /nfs/dbraw/zinc/70/53/50/595705350.db2.gz KQKBYZHFATWIHK-QGZVFWFLSA-N 2 2 332.448 1.504 20 0 EDADLP CN(C)c1c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc(F)c1F ZINC000858126722 595706869 /nfs/dbraw/zinc/70/68/69/595706869.db2.gz HNTYYDRDLLTCDZ-KBPBESRZSA-N 2 2 325.403 1.984 20 0 EDADLP CN(C)c1c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc(F)c1F ZINC000858126722 595706871 /nfs/dbraw/zinc/70/68/71/595706871.db2.gz HNTYYDRDLLTCDZ-KBPBESRZSA-N 2 2 325.403 1.984 20 0 EDADLP CC(C)(C)n1ncc2c1nc(NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)[nH+]c2N ZINC000853241872 595716780 /nfs/dbraw/zinc/71/67/80/595716780.db2.gz MNWBXUFLRFJPHO-NEPJUHHUSA-N 2 2 345.451 1.439 20 0 EDADLP CC(C)(C)n1ncc2c1nc(NC[C@H]1C[N@H+]3CCC[C@@H]3CO1)[nH+]c2N ZINC000853241872 595716782 /nfs/dbraw/zinc/71/67/82/595716782.db2.gz MNWBXUFLRFJPHO-NEPJUHHUSA-N 2 2 345.451 1.439 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000858500723 595810875 /nfs/dbraw/zinc/81/08/75/595810875.db2.gz OHGGCKKFBMCJGZ-ZBFHGGJFSA-N 2 2 341.496 1.942 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000858500723 595810877 /nfs/dbraw/zinc/81/08/77/595810877.db2.gz OHGGCKKFBMCJGZ-ZBFHGGJFSA-N 2 2 341.496 1.942 20 0 EDADLP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000858601781 595839719 /nfs/dbraw/zinc/83/97/19/595839719.db2.gz KATHMWZKERPMNX-SJORKVTESA-N 2 2 347.459 1.696 20 0 EDADLP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000858601781 595839722 /nfs/dbraw/zinc/83/97/22/595839722.db2.gz KATHMWZKERPMNX-SJORKVTESA-N 2 2 347.459 1.696 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000853913062 595919953 /nfs/dbraw/zinc/91/99/53/595919953.db2.gz BYKVWOYGUUXUSJ-QZTJIDSGSA-N 2 2 346.475 1.490 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000851899280 595968061 /nfs/dbraw/zinc/96/80/61/595968061.db2.gz TVZJOQWYAGHSGC-PBHICJAKSA-N 2 2 335.448 1.995 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000851899280 595968063 /nfs/dbraw/zinc/96/80/63/595968063.db2.gz TVZJOQWYAGHSGC-PBHICJAKSA-N 2 2 335.448 1.995 20 0 EDADLP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N[C@@H]1CCn2cc[nH+]c21 ZINC000854096854 595974301 /nfs/dbraw/zinc/97/43/01/595974301.db2.gz UTLSONBCFIFZPP-RBSFLKMASA-N 2 2 345.447 1.271 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCc4[nH+]c[nH]c4C3)cc2)CC1 ZINC000854260099 596017374 /nfs/dbraw/zinc/01/73/74/596017374.db2.gz UVKITLUWQWRARJ-AWEZNQCLSA-N 2 2 339.443 1.905 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCc4[nH]c[nH+]c4C3)cc2)CC1 ZINC000854260099 596017380 /nfs/dbraw/zinc/01/73/80/596017380.db2.gz UVKITLUWQWRARJ-AWEZNQCLSA-N 2 2 339.443 1.905 20 0 EDADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000856770509 596077662 /nfs/dbraw/zinc/07/76/62/596077662.db2.gz UFLFFINVYYWFCI-QGZVFWFLSA-N 2 2 334.851 1.800 20 0 EDADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC000856770509 596077665 /nfs/dbraw/zinc/07/76/65/596077665.db2.gz UFLFFINVYYWFCI-QGZVFWFLSA-N 2 2 334.851 1.800 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3c(C=O)c[nH]c3c2)CC1 ZINC000859883858 596214817 /nfs/dbraw/zinc/21/48/17/596214817.db2.gz OIEJNDWIABBPPI-UHFFFAOYSA-N 2 2 342.443 1.736 20 0 EDADLP CCc1ccc([C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000864612523 596282468 /nfs/dbraw/zinc/28/24/68/596282468.db2.gz QKAVHKQLTLREDI-ZMBJWTFHSA-N 2 2 345.487 1.856 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)/C=C/C[NH+]3CCOCC3)sc2C1 ZINC000864617797 596286181 /nfs/dbraw/zinc/28/61/81/596286181.db2.gz SBVBALQYXRFVMY-ONEGZZNKSA-N 2 2 336.461 1.348 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)/C=C/C[NH+]3CCOCC3)sc2C1 ZINC000864617797 596286184 /nfs/dbraw/zinc/28/61/84/596286184.db2.gz SBVBALQYXRFVMY-ONEGZZNKSA-N 2 2 336.461 1.348 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866700453 596299353 /nfs/dbraw/zinc/29/93/53/596299353.db2.gz XZSLAOGQDRADDG-CVEARBPZSA-N 2 2 325.497 1.772 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[NH2+]CCC1(C)C ZINC000866700453 596299356 /nfs/dbraw/zinc/29/93/56/596299356.db2.gz XZSLAOGQDRADDG-CVEARBPZSA-N 2 2 325.497 1.772 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864888276 596405344 /nfs/dbraw/zinc/40/53/44/596405344.db2.gz WWYUXXSUITXZAM-PJHKVULZSA-N 2 2 337.508 1.749 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000864925550 596418274 /nfs/dbraw/zinc/41/82/74/596418274.db2.gz UFFXCGQSWCTALN-UPHRSURJSA-N 2 2 344.459 1.051 20 0 EDADLP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1C[NH+]1CCOCC1 ZINC000870974535 596422836 /nfs/dbraw/zinc/42/28/36/596422836.db2.gz MXIDLQGEGQQDTK-VBUUOAMHSA-N 2 2 343.471 1.779 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3ccc(C[NH3+])o3)C2)c1 ZINC000870977477 596425167 /nfs/dbraw/zinc/42/51/67/596425167.db2.gz GTLKOELDSAWCFB-KRWDZBQOSA-N 2 2 343.427 1.678 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3ccc(C[NH3+])o3)C2)c1 ZINC000870977477 596425168 /nfs/dbraw/zinc/42/51/68/596425168.db2.gz GTLKOELDSAWCFB-KRWDZBQOSA-N 2 2 343.427 1.678 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000870978557 596425743 /nfs/dbraw/zinc/42/57/43/596425743.db2.gz WKAUUBQKFSCOKI-MJGOQNOKSA-N 2 2 333.476 1.830 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000870978557 596425745 /nfs/dbraw/zinc/42/57/45/596425745.db2.gz WKAUUBQKFSCOKI-MJGOQNOKSA-N 2 2 333.476 1.830 20 0 EDADLP C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000870983870 596429125 /nfs/dbraw/zinc/42/91/25/596429125.db2.gz BNRHKVCNFNRBGL-OAHLLOKOSA-N 2 2 326.444 1.978 20 0 EDADLP CN1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)Cc2ccc[nH+]c21 ZINC000871021234 596440829 /nfs/dbraw/zinc/44/08/29/596440829.db2.gz PCYFTUSLDNJRMD-INIZCTEOSA-N 2 2 328.391 1.742 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=S)NCCC[NH+](C)C)c1ccccc1 ZINC000017453234 596470058 /nfs/dbraw/zinc/47/00/58/596470058.db2.gz WRYPHONFUQOEFQ-HNNXBMFYSA-N 2 2 331.489 1.925 20 0 EDADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869397374 596510581 /nfs/dbraw/zinc/51/05/81/596510581.db2.gz XYGIFRCSRQSSAS-MSOLQXFVSA-N 2 2 342.443 1.812 20 0 EDADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000869397374 596510585 /nfs/dbraw/zinc/51/05/85/596510585.db2.gz XYGIFRCSRQSSAS-MSOLQXFVSA-N 2 2 342.443 1.812 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2C)CCO1)C1CC1 ZINC000871285703 596524676 /nfs/dbraw/zinc/52/46/76/596524676.db2.gz VJVQYBRKIZMJMF-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2C)CCO1)C1CC1 ZINC000871285703 596524679 /nfs/dbraw/zinc/52/46/79/596524679.db2.gz VJVQYBRKIZMJMF-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1)C1CC1 ZINC000871285703 596524681 /nfs/dbraw/zinc/52/46/81/596524681.db2.gz VJVQYBRKIZMJMF-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1)C1CC1 ZINC000871285703 596524684 /nfs/dbraw/zinc/52/46/84/596524684.db2.gz VJVQYBRKIZMJMF-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP Cn1nc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000863542300 596613212 /nfs/dbraw/zinc/61/32/12/596613212.db2.gz OXENHCSQGVAPHU-OCCSQVGLSA-N 2 2 339.871 1.154 20 0 EDADLP Cn1nc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1Cl ZINC000863542300 596613214 /nfs/dbraw/zinc/61/32/14/596613214.db2.gz OXENHCSQGVAPHU-OCCSQVGLSA-N 2 2 339.871 1.154 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NOCCC(F)(F)F)CC1 ZINC000119559207 596633866 /nfs/dbraw/zinc/63/38/66/596633866.db2.gz ISPGXHHPUKOYGP-UHFFFAOYSA-N 2 2 326.363 1.196 20 0 EDADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(Cc2c[nH+]cn2C)no1 ZINC000863666127 596650307 /nfs/dbraw/zinc/65/03/07/596650307.db2.gz VCQUVFQTYPUOMR-BLLLJJGKSA-N 2 2 327.388 1.999 20 0 EDADLP Cc1ccn(C[C@H](C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865727539 596661404 /nfs/dbraw/zinc/66/14/04/596661404.db2.gz AWHYNSBDBZPDFC-MAUKXSAKSA-N 2 2 347.507 1.455 20 0 EDADLP Cc1ccn(C[C@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000865727539 596661405 /nfs/dbraw/zinc/66/14/05/596661405.db2.gz AWHYNSBDBZPDFC-MAUKXSAKSA-N 2 2 347.507 1.455 20 0 EDADLP Cc1ccc(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)[nH+]1 ZINC000868131612 596697195 /nfs/dbraw/zinc/69/71/95/596697195.db2.gz GZUTWLWZIWJFTM-YUELXQCFSA-N 2 2 345.403 1.097 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cc2C1 ZINC000868203492 596722127 /nfs/dbraw/zinc/72/21/27/596722127.db2.gz FDZHGVDHOTXSLA-AWEZNQCLSA-N 2 2 332.452 1.182 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cc2C1 ZINC000868203492 596722128 /nfs/dbraw/zinc/72/21/28/596722128.db2.gz FDZHGVDHOTXSLA-AWEZNQCLSA-N 2 2 332.452 1.182 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2C1 ZINC000868206508 596723595 /nfs/dbraw/zinc/72/35/95/596723595.db2.gz ZCKDWABUKVXVHH-KGLIPLIRSA-N 2 2 332.452 1.182 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2C1 ZINC000868206508 596723598 /nfs/dbraw/zinc/72/35/98/596723598.db2.gz ZCKDWABUKVXVHH-KGLIPLIRSA-N 2 2 332.452 1.182 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870079893 596739658 /nfs/dbraw/zinc/73/96/58/596739658.db2.gz ASMJVGUKEOYSFL-QGZVFWFLSA-N 2 2 336.395 1.756 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147304 596811241 /nfs/dbraw/zinc/81/12/41/596811241.db2.gz HCBCZSTWWQSBKA-ZUWCUPBKSA-N 2 2 335.414 1.948 20 0 EDADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147304 596811243 /nfs/dbraw/zinc/81/12/43/596811243.db2.gz HCBCZSTWWQSBKA-ZUWCUPBKSA-N 2 2 335.414 1.948 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)C[C@@H]1C(F)(F)F ZINC000872148732 596811765 /nfs/dbraw/zinc/81/17/65/596811765.db2.gz QMNYJUWGLPJYJM-YPMHNXCESA-N 2 2 333.329 1.511 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)C[C@@H]1C(F)(F)F ZINC000872148732 596811769 /nfs/dbraw/zinc/81/17/69/596811769.db2.gz QMNYJUWGLPJYJM-YPMHNXCESA-N 2 2 333.329 1.511 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872149826 596812570 /nfs/dbraw/zinc/81/25/70/596812570.db2.gz QQTCYJKNLWSCHG-NFAWXSAZSA-N 3 2 331.382 1.807 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872149826 596812574 /nfs/dbraw/zinc/81/25/74/596812574.db2.gz QQTCYJKNLWSCHG-NFAWXSAZSA-N 3 2 331.382 1.807 20 0 EDADLP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000872155207 596816008 /nfs/dbraw/zinc/81/60/08/596816008.db2.gz NRILEVAMZAUFAR-UHFFFAOYSA-N 2 2 341.477 1.480 20 0 EDADLP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000872155207 596816011 /nfs/dbraw/zinc/81/60/11/596816011.db2.gz NRILEVAMZAUFAR-UHFFFAOYSA-N 2 2 341.477 1.480 20 0 EDADLP CC(C)(O)C[C@@H](O)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000872202913 596833657 /nfs/dbraw/zinc/83/36/57/596833657.db2.gz RKIZQJPZRPXMCA-MRXNPFEDSA-N 2 2 328.497 1.381 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866379306 596870151 /nfs/dbraw/zinc/87/01/51/596870151.db2.gz IDIMNSGYOYXAEF-HUUCEWRRSA-N 2 2 345.434 1.144 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866379306 596870152 /nfs/dbraw/zinc/87/01/52/596870152.db2.gz IDIMNSGYOYXAEF-HUUCEWRRSA-N 2 2 345.434 1.144 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000875579152 596903826 /nfs/dbraw/zinc/90/38/26/596903826.db2.gz VXEAHZOPFLGERR-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000875579152 596903828 /nfs/dbraw/zinc/90/38/28/596903828.db2.gz VXEAHZOPFLGERR-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875579152 596903830 /nfs/dbraw/zinc/90/38/30/596903830.db2.gz VXEAHZOPFLGERR-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875579152 596903832 /nfs/dbraw/zinc/90/38/32/596903832.db2.gz VXEAHZOPFLGERR-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[NH+]2CCCC2)[NH+]2CCOCC2)cc1 ZINC000874104594 596930134 /nfs/dbraw/zinc/93/01/34/596930134.db2.gz KGJHYAKTJGWCCX-GOSISDBHSA-N 2 2 331.460 1.580 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000875712065 596956361 /nfs/dbraw/zinc/95/63/61/596956361.db2.gz JKFRBBXKKCVSMO-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000875712065 596956364 /nfs/dbraw/zinc/95/63/64/596956364.db2.gz JKFRBBXKKCVSMO-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000875712065 596956367 /nfs/dbraw/zinc/95/63/67/596956367.db2.gz JKFRBBXKKCVSMO-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000875712065 596956369 /nfs/dbraw/zinc/95/63/69/596956369.db2.gz JKFRBBXKKCVSMO-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000875742181 596969050 /nfs/dbraw/zinc/96/90/50/596969050.db2.gz JLUUMOPNJDHLJH-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000875742181 596969053 /nfs/dbraw/zinc/96/90/53/596969053.db2.gz JLUUMOPNJDHLJH-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000872778516 597064057 /nfs/dbraw/zinc/06/40/57/597064057.db2.gz AXYQATYZZCPPIK-BZUAXINKSA-N 2 2 331.464 1.501 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000872778516 597064060 /nfs/dbraw/zinc/06/40/60/597064060.db2.gz AXYQATYZZCPPIK-BZUAXINKSA-N 2 2 331.464 1.501 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000876094821 597087636 /nfs/dbraw/zinc/08/76/36/597087636.db2.gz OOTUUIYGCVMCEI-IAGOWNOFSA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000876094821 597087641 /nfs/dbraw/zinc/08/76/41/597087641.db2.gz OOTUUIYGCVMCEI-IAGOWNOFSA-N 2 2 340.512 1.374 20 0 EDADLP CCOc1cccc(F)c1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000873044051 597169348 /nfs/dbraw/zinc/16/93/48/597169348.db2.gz AEFXOSDCHOBHFN-CQSZACIVSA-N 2 2 337.439 1.901 20 0 EDADLP CCOc1cccc(F)c1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000873044051 597169350 /nfs/dbraw/zinc/16/93/50/597169350.db2.gz AEFXOSDCHOBHFN-CQSZACIVSA-N 2 2 337.439 1.901 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2csc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000876541844 597233397 /nfs/dbraw/zinc/23/33/97/597233397.db2.gz HPHOILZRNYCZPO-OTDNITJGSA-N 2 2 333.379 1.881 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2csc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000876541844 597233398 /nfs/dbraw/zinc/23/33/98/597233398.db2.gz HPHOILZRNYCZPO-OTDNITJGSA-N 2 2 333.379 1.881 20 0 EDADLP Cc1ccccc1CN1CCO[C@H](C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000873248283 597239456 /nfs/dbraw/zinc/23/94/56/597239456.db2.gz CNYALQWYTSGIEP-DFQSSKMNSA-N 2 2 347.503 1.552 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000873249346 597240077 /nfs/dbraw/zinc/24/00/77/597240077.db2.gz MOQYNTNPEQECFF-BBRMVZONSA-N 2 2 330.432 1.359 20 0 EDADLP O=C1NCCN1Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000873263222 597242266 /nfs/dbraw/zinc/24/22/66/597242266.db2.gz URFFWFFLTAFHSM-ROUUACIJSA-N 2 2 344.459 1.068 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000875042529 597256684 /nfs/dbraw/zinc/25/66/84/597256684.db2.gz VFUZZQINXOVTEB-KRWDZBQOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000875042529 597256685 /nfs/dbraw/zinc/25/66/85/597256685.db2.gz VFUZZQINXOVTEB-KRWDZBQOSA-N 2 2 340.512 1.517 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccc[nH+]c21 ZINC000875094003 597278599 /nfs/dbraw/zinc/27/85/99/597278599.db2.gz XYJPHNFBUKFUMF-HZPDHXFCSA-N 2 2 329.448 1.670 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)Cc2ccc[nH+]c21 ZINC000875094003 597278602 /nfs/dbraw/zinc/27/86/02/597278602.db2.gz XYJPHNFBUKFUMF-HZPDHXFCSA-N 2 2 329.448 1.670 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876712350 597299557 /nfs/dbraw/zinc/29/95/57/597299557.db2.gz PBTLBNIPODBWIY-NVXWUHKLSA-N 2 2 335.423 1.083 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000876715438 597301563 /nfs/dbraw/zinc/30/15/63/597301563.db2.gz LNNYGBFJCABXBD-CQSZACIVSA-N 2 2 345.365 1.496 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)c2)CC1 ZINC000876782475 597339043 /nfs/dbraw/zinc/33/90/43/597339043.db2.gz SPGNKLIIFHBTRG-QUCCMNQESA-N 2 2 342.487 1.905 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875371066 597403647 /nfs/dbraw/zinc/40/36/47/597403647.db2.gz CYNLSMXZOGHAST-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875371066 597403650 /nfs/dbraw/zinc/40/36/50/597403650.db2.gz CYNLSMXZOGHAST-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000875511402 597459461 /nfs/dbraw/zinc/45/94/61/597459461.db2.gz RRHZHOPGWDLMMU-INIZCTEOSA-N 2 2 349.479 1.198 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000875545263 597472917 /nfs/dbraw/zinc/47/29/17/597472917.db2.gz RZRPFACSJVAHFJ-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000875545263 597472920 /nfs/dbraw/zinc/47/29/20/597472920.db2.gz RZRPFACSJVAHFJ-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000875545263 597472923 /nfs/dbraw/zinc/47/29/23/597472923.db2.gz RZRPFACSJVAHFJ-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000875545263 597472925 /nfs/dbraw/zinc/47/29/25/597472925.db2.gz RZRPFACSJVAHFJ-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353460 597499060 /nfs/dbraw/zinc/49/90/60/597499060.db2.gz QYZAXQSHYCZQLK-NLWGTHIKSA-N 3 2 344.503 1.246 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353460 597499061 /nfs/dbraw/zinc/49/90/61/597499061.db2.gz QYZAXQSHYCZQLK-NLWGTHIKSA-N 3 2 344.503 1.246 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000877398214 597509615 /nfs/dbraw/zinc/50/96/15/597509615.db2.gz CKJFARKGECKUCR-JYJNAYRXSA-N 2 2 341.496 1.678 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000877398214 597509616 /nfs/dbraw/zinc/50/96/16/597509616.db2.gz CKJFARKGECKUCR-JYJNAYRXSA-N 2 2 341.496 1.678 20 0 EDADLP CC(C)C1(O)C[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877579899 597538183 /nfs/dbraw/zinc/53/81/83/597538183.db2.gz ICRUXCKRLODSHX-UHFFFAOYSA-N 2 2 334.460 1.600 20 0 EDADLP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC000877975012 597567436 /nfs/dbraw/zinc/56/74/36/597567436.db2.gz AZPPGSCLGUULIP-UHFFFAOYSA-N 2 2 332.452 1.362 20 0 EDADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc3c(=O)[nH]ccn23)CC1 ZINC000877975012 597567437 /nfs/dbraw/zinc/56/74/37/597567437.db2.gz AZPPGSCLGUULIP-UHFFFAOYSA-N 2 2 332.452 1.362 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000878515359 597619673 /nfs/dbraw/zinc/61/96/73/597619673.db2.gz QJTHAEHTRUJPHU-UHFFFAOYSA-N 2 2 338.452 1.314 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)c1cc(Br)no1 ZINC000878549354 597631537 /nfs/dbraw/zinc/63/15/37/597631537.db2.gz FEMGUARFYGFHBC-NSHDSACASA-N 2 2 332.242 1.888 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)c1cc(Br)no1 ZINC000878549354 597631540 /nfs/dbraw/zinc/63/15/40/597631540.db2.gz FEMGUARFYGFHBC-NSHDSACASA-N 2 2 332.242 1.888 20 0 EDADLP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC000879591429 597648477 /nfs/dbraw/zinc/64/84/77/597648477.db2.gz WIUQCKGQMGYPJH-IRXDYDNUSA-N 2 2 336.524 1.203 20 0 EDADLP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000879592858 597649060 /nfs/dbraw/zinc/64/90/60/597649060.db2.gz QTPPZILTLVASGQ-LJQANCHMSA-N 2 2 342.487 1.504 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCN1c1cc[nH+]cc1 ZINC000881631232 597664806 /nfs/dbraw/zinc/66/48/06/597664806.db2.gz RQRUNNLMUMOGND-CABCVRRESA-N 2 2 325.416 1.578 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N(C)CCCC[NH+]2CCCCC2)CCO1 ZINC000883271808 597697610 /nfs/dbraw/zinc/69/76/10/597697610.db2.gz WMFRAFMQWGJRLG-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N(C)CCCC[NH+]2CCCCC2)CCO1 ZINC000883271808 597697613 /nfs/dbraw/zinc/69/76/13/597697613.db2.gz WMFRAFMQWGJRLG-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP Cc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)c[nH+]1 ZINC000879074388 597810487 /nfs/dbraw/zinc/81/04/87/597810487.db2.gz RAEYNICRMPAHFZ-HZPDHXFCSA-N 3 2 333.480 1.323 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000880261286 597886290 /nfs/dbraw/zinc/88/62/90/597886290.db2.gz IGGZKSGTEPIURK-HNNXBMFYSA-N 2 2 325.416 1.304 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000880261286 597886292 /nfs/dbraw/zinc/88/62/92/597886292.db2.gz IGGZKSGTEPIURK-HNNXBMFYSA-N 2 2 325.416 1.304 20 0 EDADLP Cc1cccc(C(=O)NC2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000879349641 597895594 /nfs/dbraw/zinc/89/55/94/597895594.db2.gz DEHHDHSSHMNNFA-IBGZPJMESA-N 2 2 345.487 1.646 20 0 EDADLP CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000880436523 597934245 /nfs/dbraw/zinc/93/42/45/597934245.db2.gz WXESYTSEFMDQQS-RTBURBONSA-N 2 2 334.460 1.755 20 0 EDADLP CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000880436523 597934247 /nfs/dbraw/zinc/93/42/47/597934247.db2.gz WXESYTSEFMDQQS-RTBURBONSA-N 2 2 334.460 1.755 20 0 EDADLP CN(C)c1cc(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc[nH+]1 ZINC000880606981 597979115 /nfs/dbraw/zinc/97/91/15/597979115.db2.gz ATTVLTWBWKYYFU-UHFFFAOYSA-N 2 2 347.463 1.724 20 0 EDADLP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)NCCC[NH+]1CCOCC1 ZINC000884175925 598015416 /nfs/dbraw/zinc/01/54/16/598015416.db2.gz NPHLBHMIMHSVHV-INIZCTEOSA-N 2 2 331.416 1.141 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000914306925 695347769 /nfs/dbraw/zinc/34/77/69/695347769.db2.gz BEEISFQZHMRAEI-INIZCTEOSA-N 2 2 335.452 1.216 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000914306925 695347771 /nfs/dbraw/zinc/34/77/71/695347771.db2.gz BEEISFQZHMRAEI-INIZCTEOSA-N 2 2 335.452 1.216 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914307688 695354670 /nfs/dbraw/zinc/35/46/70/695354670.db2.gz HYGXHXLCCGCUKN-LSDHHAIUSA-N 2 2 337.493 1.542 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914307688 695354671 /nfs/dbraw/zinc/35/46/71/695354671.db2.gz HYGXHXLCCGCUKN-LSDHHAIUSA-N 2 2 337.493 1.542 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c1C ZINC000939856741 699995681 /nfs/dbraw/zinc/99/56/81/699995681.db2.gz PFFRJJPZVLKSSO-RHSMWYFYSA-N 2 2 342.443 1.837 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000914337489 695369469 /nfs/dbraw/zinc/36/94/69/695369469.db2.gz NOJDDMXEJACCDN-ZDUSSCGKSA-N 2 2 339.509 1.736 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000914337489 695369470 /nfs/dbraw/zinc/36/94/70/695369470.db2.gz NOJDDMXEJACCDN-ZDUSSCGKSA-N 2 2 339.509 1.736 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939856795 699995852 /nfs/dbraw/zinc/99/58/52/699995852.db2.gz QCDGUWGKJBBQCP-WBMJQRKESA-N 2 2 331.420 1.379 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@H]2C1 ZINC000992860794 695418849 /nfs/dbraw/zinc/41/88/49/695418849.db2.gz OCZUVOBLTQQPFQ-AEGPPILISA-N 2 2 329.404 1.357 20 0 EDADLP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992920322 695454352 /nfs/dbraw/zinc/45/43/52/695454352.db2.gz CFLGKEADAOIIMM-HYVNUMGLSA-N 2 2 342.447 1.034 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)on1 ZINC000992924643 695456598 /nfs/dbraw/zinc/45/65/98/695456598.db2.gz MMDYFKZPRAIGDU-DJIMGWMZSA-N 2 2 343.431 1.596 20 0 EDADLP C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCN1c1cc[nH+]cc1 ZINC000915262582 695775632 /nfs/dbraw/zinc/77/56/32/695775632.db2.gz VZXUFYIZAMGRRD-HNNXBMFYSA-N 2 2 339.443 1.894 20 0 EDADLP C/C(=C\C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000915263045 695775679 /nfs/dbraw/zinc/77/56/79/695775679.db2.gz ZVKWULMPJHAXIQ-HJUDDPQBSA-N 2 2 344.459 1.397 20 0 EDADLP C[C@@H]1C(=O)CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915500283 695936401 /nfs/dbraw/zinc/93/64/01/695936401.db2.gz IJVFKJRZWKEMCY-CQSZACIVSA-N 2 2 336.480 1.308 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001031252979 696016715 /nfs/dbraw/zinc/01/67/15/696016715.db2.gz MLIUDPHEKUMWAA-INIZCTEOSA-N 2 2 327.472 1.818 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC001031252979 696016720 /nfs/dbraw/zinc/01/67/20/696016720.db2.gz MLIUDPHEKUMWAA-INIZCTEOSA-N 2 2 327.472 1.818 20 0 EDADLP COc1ccc(OCC[NH+]2CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031260753 696068210 /nfs/dbraw/zinc/06/82/10/696068210.db2.gz 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Cc1[nH+]ccn1CC(=O)NC1C[NH+](CCCc2cccc(C)c2)C1 ZINC001031391301 697018529 /nfs/dbraw/zinc/01/85/29/697018529.db2.gz CYAAMNCFNQOXIX-UHFFFAOYSA-N 2 2 326.444 1.933 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(CO)on1 ZINC000925440811 697048214 /nfs/dbraw/zinc/04/82/14/697048214.db2.gz MGVLMNBQIBBSHO-ZDUSSCGKSA-N 2 2 346.431 1.309 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000921406678 697594765 /nfs/dbraw/zinc/59/47/65/697594765.db2.gz MSSDZBZJDAANDJ-DGCLKSJQSA-N 2 2 325.482 1.344 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000921406678 697594767 /nfs/dbraw/zinc/59/47/67/697594767.db2.gz MSSDZBZJDAANDJ-DGCLKSJQSA-N 2 2 325.482 1.344 20 0 EDADLP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)o1 ZINC000940082944 700177121 /nfs/dbraw/zinc/17/71/21/700177121.db2.gz FQEGXSXBHXPGNO-UHFFFAOYSA-N 2 2 346.435 1.459 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC000948091421 697790355 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1.882 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177432 697872983 /nfs/dbraw/zinc/87/29/83/697872983.db2.gz OFYKLSAIKGKWHZ-MLGOLLRUSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177432 697872986 /nfs/dbraw/zinc/87/29/86/697872986.db2.gz OFYKLSAIKGKWHZ-MLGOLLRUSA-N 2 2 345.447 1.838 20 0 EDADLP Cc1noc(C)c1C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001031730362 698069452 /nfs/dbraw/zinc/06/94/52/698069452.db2.gz LYKUYDDEOZBJSQ-INIZCTEOSA-N 2 2 343.431 1.614 20 0 EDADLP C[C@H]1C[N@H+](Cc2ncccn2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943335533 698152941 /nfs/dbraw/zinc/15/29/41/698152941.db2.gz RFKHUSGNSZKVMQ-DOTOQJQBSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ncccn2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943335533 698152945 /nfs/dbraw/zinc/15/29/45/698152945.db2.gz RFKHUSGNSZKVMQ-DOTOQJQBSA-N 2 2 345.491 1.535 20 0 EDADLP 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698428684 /nfs/dbraw/zinc/42/86/84/698428684.db2.gz VMOFLJWMUPZTSC-ROUUACIJSA-N 2 2 337.508 1.678 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)s1 ZINC000943756676 698831931 /nfs/dbraw/zinc/83/19/31/698831931.db2.gz UGUFLVQTZLRHQB-SMDDNHRTSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)s1 ZINC000943756676 698831936 /nfs/dbraw/zinc/83/19/36/698831936.db2.gz UGUFLVQTZLRHQB-SMDDNHRTSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)cn1 ZINC001031765051 699050463 /nfs/dbraw/zinc/05/04/63/699050463.db2.gz SYOSWDAUENFZKO-UHFFFAOYSA-N 2 2 343.475 1.209 20 0 EDADLP Cn1nccc1CC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031772296 699098171 /nfs/dbraw/zinc/09/81/71/699098171.db2.gz GPCACDGVUYMOFO-UHFFFAOYSA-N 2 2 338.415 1.201 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784937 699220151 /nfs/dbraw/zinc/22/01/51/699220151.db2.gz ZMGXLPSIIHMDQF-NVXWUHKLSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1C[NH+](CC[C@@H]3CCCO3)C1)C2 ZINC001031787108 699222693 /nfs/dbraw/zinc/22/26/93/699222693.db2.gz BBSQAAYEFXXTOU-CVEARBPZSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1C[NH+](CC[C@@H]3CCCO3)C1)CC2 ZINC001031787108 699222695 /nfs/dbraw/zinc/22/26/95/699222695.db2.gz BBSQAAYEFXXTOU-CVEARBPZSA-N 2 2 346.475 1.440 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)n1 ZINC000939212015 699360769 /nfs/dbraw/zinc/36/07/69/699360769.db2.gz WJERAEBSYFJDQF-BBRMVZONSA-N 2 2 330.436 1.366 20 0 EDADLP CCCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)o1 ZINC000939217041 699389743 /nfs/dbraw/zinc/38/97/43/699389743.db2.gz ZSEJJCCDXLFELX-IUODEOHRSA-N 2 2 345.447 1.838 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C)no1 ZINC000939237033 699406397 /nfs/dbraw/zinc/40/63/97/699406397.db2.gz UDEPAEGAFOYQNL-XJKSGUPXSA-N 2 2 345.447 1.940 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccncc2Cl)C1)C12CCC[NH+]1CCC2 ZINC001031812680 699486792 /nfs/dbraw/zinc/48/67/92/699486792.db2.gz GNQVXGWPMLUVNX-UHFFFAOYSA-N 2 2 348.878 1.911 20 0 EDADLP Cc1conc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163619 701596293 /nfs/dbraw/zinc/59/62/93/701596293.db2.gz XKJVBMUISTYUAU-KGLIPLIRSA-N 2 2 331.420 1.334 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)n1 ZINC000939398712 699548010 /nfs/dbraw/zinc/54/80/10/699548010.db2.gz QUSXUIKACRPWGJ-CABCVRRESA-N 2 2 349.479 1.300 20 0 EDADLP CCOc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)n1 ZINC000939407260 699561711 /nfs/dbraw/zinc/56/17/11/699561711.db2.gz AUPJZAVFQVPFGO-ZFWWWQNUSA-N 2 2 343.431 1.383 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cs1 ZINC000939414034 699567101 /nfs/dbraw/zinc/56/71/01/699567101.db2.gz UMTGVLLQJFVKJH-FZMZJTMJSA-N 2 2 333.461 1.396 20 0 EDADLP CC[NH+](CC)CCCC1CC[NH+](Cn2cnc(C(=O)OC)n2)CC1 ZINC000181459942 699623430 /nfs/dbraw/zinc/62/34/30/699623430.db2.gz ZSVOFVZMSZNXJI-UHFFFAOYSA-N 2 2 337.468 1.856 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939534139 699672470 /nfs/dbraw/zinc/67/24/70/699672470.db2.gz ICKMWFITSZZUOG-GUYCJALGSA-N 2 2 327.432 1.303 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)no1 ZINC000939549564 699674977 /nfs/dbraw/zinc/67/49/77/699674977.db2.gz BADMTTIMRHEWSZ-WBMJQRKESA-N 2 2 343.431 1.694 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cs1 ZINC000939534493 699675604 /nfs/dbraw/zinc/67/56/04/699675604.db2.gz KSFOKZLBIVOHMP-BLLLJJGKSA-N 2 2 332.473 1.969 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)o1 ZINC000939540334 699680999 /nfs/dbraw/zinc/68/09/99/699680999.db2.gz GNPVIXLVESPMMP-RISCZKNCSA-N 2 2 331.420 1.620 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939540308 699681015 /nfs/dbraw/zinc/68/10/15/699681015.db2.gz GDJFWXOVEGMYKY-BXUZGUMPSA-N 2 2 331.420 1.620 20 0 EDADLP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939542080 699682959 /nfs/dbraw/zinc/68/29/59/699682959.db2.gz RZVWEEUJVKSYQU-IUODEOHRSA-N 2 2 342.447 1.422 20 0 EDADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000939550624 699699893 /nfs/dbraw/zinc/69/98/93/699699893.db2.gz NDTQRIXXJKOFCA-HIFRSBDPSA-N 2 2 340.431 1.188 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000939623460 699760995 /nfs/dbraw/zinc/76/09/95/699760995.db2.gz SCMZFBXKYAQUKD-ABAIWWIYSA-N 2 2 347.850 1.946 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC000939624613 699762230 /nfs/dbraw/zinc/76/22/30/699762230.db2.gz YADXEQFPPCSWQD-KPZWWZAWSA-N 2 2 341.459 1.909 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000939627597 699765328 /nfs/dbraw/zinc/76/53/28/699765328.db2.gz UEVACJGXFTVYJD-SUMWQHHRSA-N 2 2 334.464 1.514 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939643829 699784149 /nfs/dbraw/zinc/78/41/49/699784149.db2.gz XCDQMZOXLAIGRR-CXAGYDPISA-N 2 2 345.422 1.524 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccon3)C2)c[nH+]1 ZINC000994993126 699821048 /nfs/dbraw/zinc/82/10/48/699821048.db2.gz ZMRRTPCEEVCGLI-GJZGRUSLSA-N 2 2 345.447 1.989 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940177073 700310158 /nfs/dbraw/zinc/31/01/58/700310158.db2.gz VWFIWFZVRONZRN-OAHLLOKOSA-N 2 2 347.459 1.640 20 0 EDADLP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH+]ccn3C)CC2)cn1 ZINC000940228456 700393400 /nfs/dbraw/zinc/39/34/00/700393400.db2.gz NHLAVCKKWJNKHM-UHFFFAOYSA-N 2 2 344.463 1.257 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC000995064981 700485961 /nfs/dbraw/zinc/48/59/61/700485961.db2.gz JJYFDUDMVUCELK-GXTWGEPZSA-N 2 2 347.419 1.413 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)o1 ZINC000940355891 700517488 /nfs/dbraw/zinc/51/74/88/700517488.db2.gz FFGPOEIWHOHFMM-UHFFFAOYSA-N 2 2 331.420 1.728 20 0 EDADLP CC1([NH2+]Cc2ncc(C3CC3)o2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940356576 700518545 /nfs/dbraw/zinc/51/85/45/700518545.db2.gz UBESJQPZEANJLE-UHFFFAOYSA-N 2 2 343.431 1.989 20 0 EDADLP COc1ccc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000940354110 700537489 /nfs/dbraw/zinc/53/74/89/700537489.db2.gz WUQGOCCECCNWRI-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940371975 700554953 /nfs/dbraw/zinc/55/49/53/700554953.db2.gz WWVUZVRZOHOIEF-CVEARBPZSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940371975 700554956 /nfs/dbraw/zinc/55/49/56/700554956.db2.gz WWVUZVRZOHOIEF-CVEARBPZSA-N 2 2 348.491 1.986 20 0 EDADLP Cc1cncc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000940398189 700594993 /nfs/dbraw/zinc/59/49/93/700594993.db2.gz YAJUXMNNHRMNAY-UHFFFAOYSA-N 2 2 327.432 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CC[NH+]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973868 701015925 /nfs/dbraw/zinc/01/59/25/701015925.db2.gz YHJNLXJGKVTCOK-IRXDYDNUSA-N 2 2 337.508 1.866 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941023027 701063175 /nfs/dbraw/zinc/06/31/75/701063175.db2.gz ZNDFFEWKZUAPGO-UKRRQHHQSA-N 2 2 334.464 1.693 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C(C)(C)C1 ZINC000941023027 701063177 /nfs/dbraw/zinc/06/31/77/701063177.db2.gz ZNDFFEWKZUAPGO-UKRRQHHQSA-N 2 2 334.464 1.693 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3nccn3C)CC2(C)C)C1 ZINC000941031531 701072760 /nfs/dbraw/zinc/07/27/60/701072760.db2.gz AOWJWSGYANQRKH-CVEARBPZSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3nccn3C)CC2(C)C)C1 ZINC000941031531 701072763 /nfs/dbraw/zinc/07/27/63/701072763.db2.gz AOWJWSGYANQRKH-CVEARBPZSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3nccn3C)CC2(C)C)C1 ZINC000941031531 701072766 /nfs/dbraw/zinc/07/27/66/701072766.db2.gz AOWJWSGYANQRKH-CVEARBPZSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3nccn3C)CC2(C)C)C1 ZINC000941031531 701072769 /nfs/dbraw/zinc/07/27/69/701072769.db2.gz AOWJWSGYANQRKH-CVEARBPZSA-N 2 2 347.507 1.479 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)o1 ZINC000945806357 701196076 /nfs/dbraw/zinc/19/60/76/701196076.db2.gz CXNZRQGTMTWZFA-WFASDCNBSA-N 2 2 331.420 1.515 20 0 EDADLP CC1(C)C[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129588 701206738 /nfs/dbraw/zinc/20/67/38/701206738.db2.gz IMMIPQUMTYXYBG-GJZGRUSLSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129588 701206739 /nfs/dbraw/zinc/20/67/39/701206739.db2.gz IMMIPQUMTYXYBG-GJZGRUSLSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941215460 701401889 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ZINC000995748363 701963812 /nfs/dbraw/zinc/96/38/12/701963812.db2.gz RYTHTYMSCXYJIW-LSDHHAIUSA-N 2 2 348.491 1.984 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000944444084 702029024 /nfs/dbraw/zinc/02/90/24/702029024.db2.gz IJFCQCHZUZHIAG-WBMJQRKESA-N 2 2 342.447 1.386 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000944444084 702029028 /nfs/dbraw/zinc/02/90/28/702029028.db2.gz IJFCQCHZUZHIAG-WBMJQRKESA-N 2 2 342.447 1.386 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCc2ccns2)C[C@H]1C ZINC000944446816 702037606 /nfs/dbraw/zinc/03/76/06/702037606.db2.gz WRKYAMONYKDQRI-DOMZBBRYSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCc2ccns2)C[C@H]1C ZINC000944446816 702037613 /nfs/dbraw/zinc/03/76/13/702037613.db2.gz WRKYAMONYKDQRI-DOMZBBRYSA-N 2 2 347.488 1.786 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001031978462 702092641 /nfs/dbraw/zinc/09/26/41/702092641.db2.gz UDHQDHPYWAPDGN-WBMJQRKESA-N 2 2 337.414 1.711 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001031978462 702092649 /nfs/dbraw/zinc/09/26/49/702092649.db2.gz UDHQDHPYWAPDGN-WBMJQRKESA-N 2 2 337.414 1.711 20 0 EDADLP Cc1nocc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995185413 702126051 /nfs/dbraw/zinc/12/60/51/702126051.db2.gz NZTRDRFMSQQCOR-UKRRQHHQSA-N 2 2 331.420 1.632 20 0 EDADLP CCc1nocc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995187199 702174832 /nfs/dbraw/zinc/17/48/32/702174832.db2.gz RFNHBBLGJWQLMZ-DZGCQCFKSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC000995187339 702178648 /nfs/dbraw/zinc/17/86/48/702178648.db2.gz RSTNKDNHTBWZHE-GOEBONIOSA-N 2 2 327.432 1.730 20 0 EDADLP Cn1cc(CC[NH2+][C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)cn1 ZINC000995894891 702197740 /nfs/dbraw/zinc/19/77/40/702197740.db2.gz UCFDXPDGBQAXFV-INIZCTEOSA-N 2 2 344.463 1.145 20 0 EDADLP Cn1cc(CC[NH2+][C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000995894891 702197746 /nfs/dbraw/zinc/19/77/46/702197746.db2.gz UCFDXPDGBQAXFV-INIZCTEOSA-N 2 2 344.463 1.145 20 0 EDADLP Cn1nccc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000995895054 702198302 /nfs/dbraw/zinc/19/83/02/702198302.db2.gz UUUXRHRLYQTPSK-HNNXBMFYSA-N 2 2 330.436 1.103 20 0 EDADLP Cn1nccc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000995895054 702198306 /nfs/dbraw/zinc/19/83/06/702198306.db2.gz UUUXRHRLYQTPSK-HNNXBMFYSA-N 2 2 330.436 1.103 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(Cl)s3)C2)C1 ZINC001032182805 702211800 /nfs/dbraw/zinc/21/18/00/702211800.db2.gz RIECMIGLYZVMHD-GFCCVEGCSA-N 2 2 327.881 1.901 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(Cl)s3)C2)C1 ZINC001032182805 702211805 /nfs/dbraw/zinc/21/18/05/702211805.db2.gz RIECMIGLYZVMHD-GFCCVEGCSA-N 2 2 327.881 1.901 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]Cc1ccon1 ZINC000995890481 702231366 /nfs/dbraw/zinc/23/13/66/702231366.db2.gz BJAAQCITAVUBOB-HUUCEWRRSA-N 2 2 343.431 1.775 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1[NH2+]Cc1ccon1 ZINC000995890483 702231810 /nfs/dbraw/zinc/23/18/10/702231810.db2.gz BJAAQCITAVUBOB-LSDHHAIUSA-N 2 2 343.431 1.775 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944098190 702266304 /nfs/dbraw/zinc/26/63/04/702266304.db2.gz MTRNDGKMMSGCIV-RHSMWYFYSA-N 2 2 327.432 1.384 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944098190 702266308 /nfs/dbraw/zinc/26/63/08/702266308.db2.gz MTRNDGKMMSGCIV-RHSMWYFYSA-N 2 2 327.432 1.384 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)o1 ZINC000996042237 702459500 /nfs/dbraw/zinc/45/95/00/702459500.db2.gz LABLHZNGBFGQIV-CQSZACIVSA-N 2 2 331.420 1.515 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996087482 702495767 /nfs/dbraw/zinc/49/57/67/702495767.db2.gz VBKLWXWPLOWCKB-INIZCTEOSA-N 2 2 348.491 1.606 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)C(C)(C)C1 ZINC000996092449 702504187 /nfs/dbraw/zinc/50/41/87/702504187.db2.gz PVOSMXIKMPEYHJ-HZPDHXFCSA-N 2 2 325.497 1.722 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]C(C)C)C(C)(C)C1 ZINC000996092449 702504192 /nfs/dbraw/zinc/50/41/92/702504192.db2.gz PVOSMXIKMPEYHJ-HZPDHXFCSA-N 2 2 325.497 1.722 20 0 EDADLP CCC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996094078 702507142 /nfs/dbraw/zinc/50/71/42/702507142.db2.gz XJJDQBMICMHCPB-IRXDYDNUSA-N 2 2 337.508 1.724 20 0 EDADLP CCC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996094078 702507147 /nfs/dbraw/zinc/50/71/47/702507147.db2.gz XJJDQBMICMHCPB-IRXDYDNUSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3nncs3)C(C)(C)C2)C1 ZINC000996300394 702691913 /nfs/dbraw/zinc/69/19/13/702691913.db2.gz LKIFKSMHKVUICS-CHWSQXEVSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3nncs3)C(C)(C)C2)C1 ZINC000996300394 702691915 /nfs/dbraw/zinc/69/19/15/702691915.db2.gz LKIFKSMHKVUICS-CHWSQXEVSA-N 2 2 337.493 1.207 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000996354946 702732729 /nfs/dbraw/zinc/73/27/29/702732729.db2.gz JZBFMNVNAIARCV-CVEARBPZSA-N 2 2 334.464 1.738 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)sn1 ZINC000996460722 702788563 /nfs/dbraw/zinc/78/85/63/702788563.db2.gz KVLRYDACUVMJRU-LBPRGKRZSA-N 2 2 349.460 1.444 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)o1 ZINC000996519764 702855831 /nfs/dbraw/zinc/85/58/31/702855831.db2.gz LBNCUNTVUBMULR-TZMCWYRMSA-N 2 2 347.463 1.361 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)o1 ZINC000996620163 702926137 /nfs/dbraw/zinc/92/61/37/702926137.db2.gz HXACTKJJXLTTGN-CYBMUJFWSA-N 2 2 346.435 1.164 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)nc1 ZINC000995247969 702952097 /nfs/dbraw/zinc/95/20/97/702952097.db2.gz JSQCWYBPIZBRHR-HUUCEWRRSA-N 2 2 328.420 1.056 20 0 EDADLP Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c(C)n1 ZINC000995248298 702967093 /nfs/dbraw/zinc/96/70/93/702967093.db2.gz KMWSHTZKIWQEHA-SJLPKXTDSA-N 2 2 341.459 1.970 20 0 EDADLP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC000996698186 702996561 /nfs/dbraw/zinc/99/65/61/702996561.db2.gz VCOGLUWYWRFWDO-HUUCEWRRSA-N 2 2 328.420 1.028 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000995255220 703008970 /nfs/dbraw/zinc/00/89/70/703008970.db2.gz WIVFPVSBMXKSKY-ZBFHGGJFSA-N 2 2 328.420 1.056 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC000942517663 703011091 /nfs/dbraw/zinc/01/10/91/703011091.db2.gz DMVGNAICEBCXFU-RHSMWYFYSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC000942517663 703011094 /nfs/dbraw/zinc/01/10/94/703011094.db2.gz DMVGNAICEBCXFU-RHSMWYFYSA-N 2 2 344.463 1.435 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)o1 ZINC000942518531 703019744 /nfs/dbraw/zinc/01/97/44/703019744.db2.gz STTCMYKBEHMNPI-TZMCWYRMSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)o1 ZINC000942518531 703019748 /nfs/dbraw/zinc/01/97/48/703019748.db2.gz STTCMYKBEHMNPI-TZMCWYRMSA-N 2 2 346.435 1.164 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996736576 703032825 /nfs/dbraw/zinc/03/28/25/703032825.db2.gz GLOPQGBAIUXYKT-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C(F)(F)F ZINC000996821745 703109550 /nfs/dbraw/zinc/10/95/50/703109550.db2.gz AGLMXWHQYDCOTM-STQMWFEESA-N 2 2 345.365 1.879 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)on1 ZINC001032042962 703210913 /nfs/dbraw/zinc/21/09/13/703210913.db2.gz PTZOKVLIRQLWQN-HOCLYGCPSA-N 2 2 348.447 1.248 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)on1 ZINC001032042962 703210915 /nfs/dbraw/zinc/21/09/15/703210915.db2.gz PTZOKVLIRQLWQN-HOCLYGCPSA-N 2 2 348.447 1.248 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996988465 703245844 /nfs/dbraw/zinc/24/58/44/703245844.db2.gz JHIUEPNWPBQHDB-MRXNPFEDSA-N 2 2 346.475 1.837 20 0 EDADLP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996997415 703254455 /nfs/dbraw/zinc/25/44/55/703254455.db2.gz WPFPDMHDGZLTOB-OAHLLOKOSA-N 2 2 342.447 1.344 20 0 EDADLP CC[C@@H](C(=O)N1CCC([NH2+]Cc2noc(C(C)C)n2)CC1)[NH+](C)C ZINC000997011108 703270660 /nfs/dbraw/zinc/27/06/60/703270660.db2.gz VPIYMCXLGOVWRK-AWEZNQCLSA-N 2 2 337.468 1.614 20 0 EDADLP Cn1cc(Cl)c(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000997042540 703292465 /nfs/dbraw/zinc/29/24/65/703292465.db2.gz QTUTXMVHQJLPRH-UHFFFAOYSA-N 2 2 336.827 1.120 20 0 EDADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001032411606 703446537 /nfs/dbraw/zinc/44/65/37/703446537.db2.gz SCKKMEBGAQYZPK-SYAUCNOPSA-N 2 2 332.448 1.417 20 0 EDADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001032411606 703446539 /nfs/dbraw/zinc/44/65/39/703446539.db2.gz SCKKMEBGAQYZPK-SYAUCNOPSA-N 2 2 332.448 1.417 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)o1 ZINC001032411606 703446541 /nfs/dbraw/zinc/44/65/41/703446541.db2.gz SCKKMEBGAQYZPK-SYAUCNOPSA-N 2 2 332.448 1.417 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)o1 ZINC001032411606 703446542 /nfs/dbraw/zinc/44/65/42/703446542.db2.gz SCKKMEBGAQYZPK-SYAUCNOPSA-N 2 2 332.448 1.417 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]CCc2ccns2)CC1)c1c[nH+]c[nH]1 ZINC000997182925 703468246 /nfs/dbraw/zinc/46/82/46/703468246.db2.gz LLMXEELCOHYLCR-UHFFFAOYSA-N 2 2 347.488 1.967 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC000997180748 703471078 /nfs/dbraw/zinc/47/10/78/703471078.db2.gz VEBDSDRHSORJOA-ZDUSSCGKSA-N 2 2 331.420 1.601 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]Cc2nncs2)CC1)c1c[nH+]c[nH]1 ZINC000997184244 703472705 /nfs/dbraw/zinc/47/27/05/703472705.db2.gz VGOIGGSTDQWHOF-UHFFFAOYSA-N 2 2 334.449 1.320 20 0 EDADLP CCc1nocc1C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997210502 703510136 /nfs/dbraw/zinc/51/01/36/703510136.db2.gz KNLCAHFBASVYOZ-UHFFFAOYSA-N 2 2 331.420 1.592 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997212178 703511220 /nfs/dbraw/zinc/51/12/20/703511220.db2.gz VSUFGGISXALQQY-UHFFFAOYSA-N 2 2 331.395 1.576 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000997236320 703523219 /nfs/dbraw/zinc/52/32/19/703523219.db2.gz KZGXFIPGRJYWME-HNAYVOBHSA-N 2 2 346.475 1.360 20 0 EDADLP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C/Cl)CC1 ZINC001032706087 706756910 /nfs/dbraw/zinc/75/69/10/706756910.db2.gz XFTQCKSRUUIGPB-YFHFXYRASA-N 2 2 327.856 1.135 20 0 EDADLP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C/Cl)CC1 ZINC001032706087 706756914 /nfs/dbraw/zinc/75/69/14/706756914.db2.gz XFTQCKSRUUIGPB-YFHFXYRASA-N 2 2 327.856 1.135 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO[C@@H]1CC1(F)F)[NH+](C)C ZINC001032459421 703639151 /nfs/dbraw/zinc/63/91/51/703639151.db2.gz BUKIWUWHTCNFHO-XQLPTFJDSA-N 2 2 345.434 1.282 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO[C@@H]1CC1(F)F)[NH+](C)C ZINC001032459421 703639153 /nfs/dbraw/zinc/63/91/53/703639153.db2.gz BUKIWUWHTCNFHO-XQLPTFJDSA-N 2 2 345.434 1.282 20 0 EDADLP CN(C)c1cccc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000997413319 703668343 /nfs/dbraw/zinc/66/83/43/703668343.db2.gz KWANDXRFKVNDJU-UHFFFAOYSA-N 2 2 341.459 1.730 20 0 EDADLP CC(C)(C)n1ncnc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997413321 703668380 /nfs/dbraw/zinc/66/83/80/703668380.db2.gz LANDUAWBVZCVSD-UHFFFAOYSA-N 2 2 345.451 1.010 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000997416177 703668897 /nfs/dbraw/zinc/66/88/97/703668897.db2.gz IFCGIBDUICFSIJ-UHFFFAOYSA-N 2 2 329.404 1.529 20 0 EDADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864202 703771469 /nfs/dbraw/zinc/77/14/69/703771469.db2.gz FTAZGEBCMYRKOL-SHTZXODSSA-N 2 2 349.479 1.084 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060864202 703771471 /nfs/dbraw/zinc/77/14/71/703771471.db2.gz FTAZGEBCMYRKOL-SHTZXODSSA-N 2 2 349.479 1.084 20 0 EDADLP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC000997671731 704017282 /nfs/dbraw/zinc/01/72/82/704017282.db2.gz BDNYYYDEUNKCAF-KGLIPLIRSA-N 2 2 330.432 1.545 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCc2ccccc2F)CC1 ZINC001004259205 704087898 /nfs/dbraw/zinc/08/78/98/704087898.db2.gz XPWUQLALPZTKSY-UHFFFAOYSA-N 2 2 330.407 1.846 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033080182 704145447 /nfs/dbraw/zinc/14/54/47/704145447.db2.gz DVUHEPNKFUSXPC-GJZGRUSLSA-N 2 2 349.504 1.221 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033080182 704145453 /nfs/dbraw/zinc/14/54/53/704145453.db2.gz DVUHEPNKFUSXPC-GJZGRUSLSA-N 2 2 349.504 1.221 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2ccc[nH+]c2N)CC1=O ZINC000922665095 704216012 /nfs/dbraw/zinc/21/60/12/704216012.db2.gz YELIIRVMYDBLDO-HUUCEWRRSA-N 2 2 346.431 1.040 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCc2ccc[nH+]c2N)CC1=O ZINC000922665095 704216014 /nfs/dbraw/zinc/21/60/14/704216014.db2.gz YELIIRVMYDBLDO-HUUCEWRRSA-N 2 2 346.431 1.040 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004458745 704452414 /nfs/dbraw/zinc/45/24/14/704452414.db2.gz PFHKUZLIFAITLO-RHSMWYFYSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004458745 704452415 /nfs/dbraw/zinc/45/24/15/704452415.db2.gz PFHKUZLIFAITLO-RHSMWYFYSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004458745 704452417 /nfs/dbraw/zinc/45/24/17/704452417.db2.gz PFHKUZLIFAITLO-RHSMWYFYSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004458745 704452419 /nfs/dbraw/zinc/45/24/19/704452419.db2.gz PFHKUZLIFAITLO-RHSMWYFYSA-N 2 2 334.464 1.426 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032544542 704645880 /nfs/dbraw/zinc/64/58/80/704645880.db2.gz XXQKSEQXEMAKHC-WBAXXEDZSA-N 2 2 340.427 1.806 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001032544542 704645882 /nfs/dbraw/zinc/64/58/82/704645882.db2.gz XXQKSEQXEMAKHC-WBAXXEDZSA-N 2 2 340.427 1.806 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997836412 704753728 /nfs/dbraw/zinc/75/37/28/704753728.db2.gz MBGWRFIBTQFUHT-IAGOWNOFSA-N 2 2 339.443 1.937 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997836412 704753730 /nfs/dbraw/zinc/75/37/30/704753730.db2.gz MBGWRFIBTQFUHT-IAGOWNOFSA-N 2 2 339.443 1.937 20 0 EDADLP CCn1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944946632 704799952 /nfs/dbraw/zinc/79/99/52/704799952.db2.gz XSGYQAOXSBQWHZ-ZBFHGGJFSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944946632 704799954 /nfs/dbraw/zinc/79/99/54/704799954.db2.gz XSGYQAOXSBQWHZ-ZBFHGGJFSA-N 2 2 348.495 1.029 20 0 EDADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032585512 705060401 /nfs/dbraw/zinc/06/04/01/705060401.db2.gz LLDXYESBYVIMLT-YESZJQIVSA-N 2 2 339.455 1.275 20 0 EDADLP O=C([C@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032585512 705060402 /nfs/dbraw/zinc/06/04/02/705060402.db2.gz LLDXYESBYVIMLT-YESZJQIVSA-N 2 2 339.455 1.275 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032585512 705060406 /nfs/dbraw/zinc/06/04/06/705060406.db2.gz LLDXYESBYVIMLT-YESZJQIVSA-N 2 2 339.455 1.275 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCCF ZINC001032585512 705060413 /nfs/dbraw/zinc/06/04/13/705060413.db2.gz LLDXYESBYVIMLT-YESZJQIVSA-N 2 2 339.455 1.275 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccsc2)C1 ZINC001032587710 705114860 /nfs/dbraw/zinc/11/48/60/705114860.db2.gz QKTQNPCLMIZJPE-YESZJQIVSA-N 2 2 349.500 1.642 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccsc2)C1 ZINC001032587710 705114863 /nfs/dbraw/zinc/11/48/63/705114863.db2.gz QKTQNPCLMIZJPE-YESZJQIVSA-N 2 2 349.500 1.642 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccsc2)C1 ZINC001032587710 705114866 /nfs/dbraw/zinc/11/48/66/705114866.db2.gz QKTQNPCLMIZJPE-YESZJQIVSA-N 2 2 349.500 1.642 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccsc2)C1 ZINC001032587710 705114869 /nfs/dbraw/zinc/11/48/69/705114869.db2.gz QKTQNPCLMIZJPE-YESZJQIVSA-N 2 2 349.500 1.642 20 0 EDADLP Cc1csc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000998183231 705482966 /nfs/dbraw/zinc/48/29/66/705482966.db2.gz NVVLXFLZFXOMAB-UHFFFAOYSA-N 2 2 333.461 1.746 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000998184429 705484363 /nfs/dbraw/zinc/48/43/63/705484363.db2.gz VDLVQSUJMKVZOR-UHFFFAOYSA-N 2 2 326.391 1.826 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC000998273648 705654080 /nfs/dbraw/zinc/65/40/80/705654080.db2.gz BYSNDXVKICOYRS-NWDGAFQWSA-N 2 2 336.333 1.612 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]Cc2cscn2)C1 ZINC000999007358 706426834 /nfs/dbraw/zinc/42/68/34/706426834.db2.gz MPBNPYMMKOSHQO-FUJMWEONSA-N 2 2 345.472 1.681 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]Cc2nccs2)C1 ZINC000999005854 706446165 /nfs/dbraw/zinc/44/61/65/706446165.db2.gz WARHPWLETQJDQN-IYXRBSQSSA-N 2 2 345.472 1.681 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)cn1 ZINC000999036221 706451224 /nfs/dbraw/zinc/45/12/24/706451224.db2.gz UCGMNPRWGMEDKA-OAHLLOKOSA-N 2 2 343.431 1.527 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999049299 706469837 /nfs/dbraw/zinc/46/98/37/706469837.db2.gz ZMNBYVSUIDTIBT-AWEZNQCLSA-N 2 2 343.431 1.989 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)[nH]1 ZINC000999123468 706548357 /nfs/dbraw/zinc/54/83/57/706548357.db2.gz KQXQJEMFCSQPGK-IYXRBSQSSA-N 2 2 345.451 1.212 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)sn1 ZINC000999323350 706832950 /nfs/dbraw/zinc/83/29/50/706832950.db2.gz PJLGLFLWRMHUKR-AWEZNQCLSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)sn1 ZINC000999323350 706832952 /nfs/dbraw/zinc/83/29/52/706832952.db2.gz PJLGLFLWRMHUKR-AWEZNQCLSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC000999345819 706857349 /nfs/dbraw/zinc/85/73/49/706857349.db2.gz BANZNPOSKRSCMI-HZPDHXFCSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC000999345819 706857351 /nfs/dbraw/zinc/85/73/51/706857351.db2.gz BANZNPOSKRSCMI-HZPDHXFCSA-N 2 2 349.479 1.437 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999373722 706868407 /nfs/dbraw/zinc/86/84/07/706868407.db2.gz QYJSQNRFISFGMT-YOEHRIQHSA-N 2 2 349.479 1.443 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1)C1CC1 ZINC000999377866 706872015 /nfs/dbraw/zinc/87/20/15/706872015.db2.gz XDCWQCYONRCSIP-ZBFHGGJFSA-N 2 2 346.479 1.103 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1)C1CC1 ZINC000999377750 706872246 /nfs/dbraw/zinc/87/22/46/706872246.db2.gz WYPFIJOPGAMXIF-HOCLYGCPSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]Cc3nccn3C)C2)c[nH+]1 ZINC000999486248 706968810 /nfs/dbraw/zinc/96/88/10/706968810.db2.gz UOWADHIJDNQOHB-HNNXBMFYSA-N 2 2 344.463 1.441 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000999499040 706996961 /nfs/dbraw/zinc/99/69/61/706996961.db2.gz YQZZLYMCMLUUQD-RDJZCZTQSA-N 2 2 347.459 1.640 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)cn1 ZINC000999501005 706998703 /nfs/dbraw/zinc/99/87/03/706998703.db2.gz CTBBEBOUFJKVHY-HNNXBMFYSA-N 2 2 338.415 1.691 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)C(N)=O ZINC000999503037 707000631 /nfs/dbraw/zinc/00/06/31/707000631.db2.gz LURQUJLZBHRTDG-QWHCGFSZSA-N 2 2 329.404 1.021 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999535710 707036184 /nfs/dbraw/zinc/03/61/84/707036184.db2.gz LGHIVJULGRAFLX-DLBZAZTESA-N 2 2 339.443 1.621 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999549455 707048707 /nfs/dbraw/zinc/04/87/07/707048707.db2.gz TVIAUBHLESSWIS-CHWSQXEVSA-N 2 2 346.460 1.078 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999549475 707049000 /nfs/dbraw/zinc/04/90/00/707049000.db2.gz TVIAUBHLESSWIS-STQMWFEESA-N 2 2 346.460 1.078 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999595017 707097952 /nfs/dbraw/zinc/09/79/52/707097952.db2.gz CUBPOVUVJMJXLD-HIFRSBDPSA-N 2 2 347.463 1.648 20 0 EDADLP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)c(C)n1 ZINC000999606252 707101454 /nfs/dbraw/zinc/10/14/54/707101454.db2.gz TXLMAQSAPHXICR-UHFFFAOYSA-N 2 2 327.432 1.743 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]Cc2cncs2)C1 ZINC000999697907 707224381 /nfs/dbraw/zinc/22/43/81/707224381.db2.gz OEJCTMPGCMYHPZ-UHFFFAOYSA-N 2 2 333.461 1.923 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999723174 707263520 /nfs/dbraw/zinc/26/35/20/707263520.db2.gz CTNLTGJLOUUJEY-OAHLLOKOSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001033265397 707289106 /nfs/dbraw/zinc/28/91/06/707289106.db2.gz HAPLMSNSHYZWMQ-HNNXBMFYSA-N 2 2 331.420 1.529 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC001033265397 707289109 /nfs/dbraw/zinc/28/91/09/707289109.db2.gz HAPLMSNSHYZWMQ-HNNXBMFYSA-N 2 2 331.420 1.529 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccsc3)C2)O1 ZINC001033180787 707339967 /nfs/dbraw/zinc/33/99/67/707339967.db2.gz CNSLVZBDSUKYTK-VNQPRFMTSA-N 2 2 337.489 1.500 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccsc3)C2)O1 ZINC001033180787 707339969 /nfs/dbraw/zinc/33/99/69/707339969.db2.gz CNSLVZBDSUKYTK-VNQPRFMTSA-N 2 2 337.489 1.500 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccsc3)C2)O1 ZINC001033180787 707339971 /nfs/dbraw/zinc/33/99/71/707339971.db2.gz CNSLVZBDSUKYTK-VNQPRFMTSA-N 2 2 337.489 1.500 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccsc3)C2)O1 ZINC001033180787 707339972 /nfs/dbraw/zinc/33/99/72/707339972.db2.gz CNSLVZBDSUKYTK-VNQPRFMTSA-N 2 2 337.489 1.500 20 0 EDADLP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)c1 ZINC000999746679 707346343 /nfs/dbraw/zinc/34/63/43/707346343.db2.gz JMPVVJSBXWFUQZ-UHFFFAOYSA-N 2 2 343.431 1.443 20 0 EDADLP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033295310 707421711 /nfs/dbraw/zinc/42/17/11/707421711.db2.gz KMCFKMWHHXMTJK-FUHWJXTLSA-N 2 2 345.491 1.327 20 0 EDADLP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033295310 707421716 /nfs/dbraw/zinc/42/17/16/707421716.db2.gz KMCFKMWHHXMTJK-FUHWJXTLSA-N 2 2 345.491 1.327 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2nnsc2Cl)C1 ZINC000999832233 707462616 /nfs/dbraw/zinc/46/26/16/707462616.db2.gz ARJSLZCILXIVDP-UHFFFAOYSA-N 2 2 343.884 1.366 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)ncn1 ZINC000999835298 707469450 /nfs/dbraw/zinc/46/94/50/707469450.db2.gz HUBNOMBLXBFLAD-OAHLLOKOSA-N 2 2 328.420 1.152 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)c(C)[nH+]1 ZINC000999892596 707485983 /nfs/dbraw/zinc/48/59/83/707485983.db2.gz XMJVQMXLPIJJNV-MLGOLLRUSA-N 2 2 344.459 1.145 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c(C)[nH+]1 ZINC000999892596 707485986 /nfs/dbraw/zinc/48/59/86/707485986.db2.gz XMJVQMXLPIJJNV-MLGOLLRUSA-N 2 2 344.459 1.145 20 0 EDADLP C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001004866343 707505455 /nfs/dbraw/zinc/50/54/55/707505455.db2.gz GXUURMKXNQWONI-XJKSGUPXSA-N 2 2 345.451 1.030 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000999915324 707557778 /nfs/dbraw/zinc/55/77/78/707557778.db2.gz JMQHXTFTDPBSMG-UHFFFAOYSA-N 2 2 345.451 1.078 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001004894251 707576152 /nfs/dbraw/zinc/57/61/52/707576152.db2.gz FXNRFXWEWVYYFN-UKRRQHHQSA-N 2 2 345.451 1.177 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ncccn1 ZINC001004900218 707585932 /nfs/dbraw/zinc/58/59/32/707585932.db2.gz ZALURRPCDCZZAL-HOTGVXAUSA-N 2 2 342.447 1.541 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203822 707603456 /nfs/dbraw/zinc/60/34/56/707603456.db2.gz TWDLGKSDFLLBBQ-GOEBONIOSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033203822 707603459 /nfs/dbraw/zinc/60/34/59/707603459.db2.gz TWDLGKSDFLLBBQ-GOEBONIOSA-N 2 2 343.431 1.475 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033205578 707629731 /nfs/dbraw/zinc/62/97/31/707629731.db2.gz DQLPGUFGEUEOCS-NVXWUHKLSA-N 2 2 339.443 1.573 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033205578 707629739 /nfs/dbraw/zinc/62/97/39/707629739.db2.gz DQLPGUFGEUEOCS-NVXWUHKLSA-N 2 2 339.443 1.573 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccn3)C2)C1 ZINC001033358390 707681388 /nfs/dbraw/zinc/68/13/88/707681388.db2.gz PAYNJKDMDVDBTJ-ZWKOTPCHSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccn3)C2)C1 ZINC001033358390 707681392 /nfs/dbraw/zinc/68/13/92/707681392.db2.gz PAYNJKDMDVDBTJ-ZWKOTPCHSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccn3)C2)C1 ZINC001033358390 707681395 /nfs/dbraw/zinc/68/13/95/707681395.db2.gz PAYNJKDMDVDBTJ-ZWKOTPCHSA-N 2 2 346.475 1.224 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001033358390 707681398 /nfs/dbraw/zinc/68/13/98/707681398.db2.gz PAYNJKDMDVDBTJ-ZWKOTPCHSA-N 2 2 346.475 1.224 20 0 EDADLP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004948231 707721569 /nfs/dbraw/zinc/72/15/69/707721569.db2.gz SSGYGPRLXOYZPJ-BBRMVZONSA-N 2 2 330.436 1.245 20 0 EDADLP CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033395656 707733325 /nfs/dbraw/zinc/73/33/25/707733325.db2.gz JIQZQZVSCDQJJV-DZGCQCFKSA-N 2 2 349.479 1.568 20 0 EDADLP CCc1nnc([C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033395656 707733329 /nfs/dbraw/zinc/73/33/29/707733329.db2.gz JIQZQZVSCDQJJV-DZGCQCFKSA-N 2 2 349.479 1.568 20 0 EDADLP C[C@H](c1ncccn1)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395782 707733965 /nfs/dbraw/zinc/73/39/65/707733965.db2.gz KEYUPHMXMNZHRB-GDBMZVCRSA-N 2 2 331.464 1.412 20 0 EDADLP C[C@H](c1ncccn1)[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395782 707733968 /nfs/dbraw/zinc/73/39/68/707733968.db2.gz KEYUPHMXMNZHRB-GDBMZVCRSA-N 2 2 331.464 1.412 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1 ZINC001032733012 707740224 /nfs/dbraw/zinc/74/02/24/707740224.db2.gz GLHRPNPNALGLOD-YESZJQIVSA-N 2 2 332.448 1.207 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCCO1 ZINC001032733012 707740228 /nfs/dbraw/zinc/74/02/28/707740228.db2.gz GLHRPNPNALGLOD-YESZJQIVSA-N 2 2 332.448 1.207 20 0 EDADLP CC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001033220344 707782335 /nfs/dbraw/zinc/78/23/35/707782335.db2.gz NXULBWVWKNBUTC-YMAMQOFZSA-N 2 2 334.464 1.929 20 0 EDADLP CC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001033220344 707782339 /nfs/dbraw/zinc/78/23/39/707782339.db2.gz NXULBWVWKNBUTC-YMAMQOFZSA-N 2 2 334.464 1.929 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033417933 707801135 /nfs/dbraw/zinc/80/11/35/707801135.db2.gz BIPWTBUIINXZSF-JSGCOSHPSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033417933 707801137 /nfs/dbraw/zinc/80/11/37/707801137.db2.gz BIPWTBUIINXZSF-JSGCOSHPSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033417933 707801142 /nfs/dbraw/zinc/80/11/42/707801142.db2.gz BIPWTBUIINXZSF-JSGCOSHPSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033417933 707801147 /nfs/dbraw/zinc/80/11/47/707801147.db2.gz BIPWTBUIINXZSF-JSGCOSHPSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)ncn1 ZINC001033418264 707802612 /nfs/dbraw/zinc/80/26/12/707802612.db2.gz BMIKBRUJNAVZLK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)ncn1 ZINC001033418264 707802614 /nfs/dbraw/zinc/80/26/14/707802614.db2.gz BMIKBRUJNAVZLK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)ncn1 ZINC001033418264 707802617 /nfs/dbraw/zinc/80/26/17/707802617.db2.gz BMIKBRUJNAVZLK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)ncn1 ZINC001033418264 707802619 /nfs/dbraw/zinc/80/26/19/707802619.db2.gz BMIKBRUJNAVZLK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C)C1CCC1 ZINC001032754639 707833467 /nfs/dbraw/zinc/83/34/67/707833467.db2.gz KUTBVKWCWZOFQH-ZOBUZTSGSA-N 2 2 332.448 1.361 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C)C1CCC1 ZINC001032754639 707833471 /nfs/dbraw/zinc/83/34/71/707833471.db2.gz KUTBVKWCWZOFQH-ZOBUZTSGSA-N 2 2 332.448 1.361 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001061603812 707839950 /nfs/dbraw/zinc/83/99/50/707839950.db2.gz GWSTUEVZBMENBX-JKSUJKDBSA-N 2 2 345.491 1.803 20 0 EDADLP Cc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001061603812 707839953 /nfs/dbraw/zinc/83/99/53/707839953.db2.gz GWSTUEVZBMENBX-JKSUJKDBSA-N 2 2 345.491 1.803 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426569 707848777 /nfs/dbraw/zinc/84/87/77/707848777.db2.gz ROVPHGMTBVNNIA-HZPDHXFCSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033426569 707848780 /nfs/dbraw/zinc/84/87/80/707848780.db2.gz ROVPHGMTBVNNIA-HZPDHXFCSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@H](c1cnccn1)[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033426569 707848782 /nfs/dbraw/zinc/84/87/82/707848782.db2.gz ROVPHGMTBVNNIA-HZPDHXFCSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@H](c1cnccn1)[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033426569 707848786 /nfs/dbraw/zinc/84/87/86/707848786.db2.gz ROVPHGMTBVNNIA-HZPDHXFCSA-N 2 2 345.491 1.802 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cnsn1 ZINC001004991271 707855949 /nfs/dbraw/zinc/85/59/49/707855949.db2.gz KPYLOWBRIKIGKC-WFASDCNBSA-N 2 2 348.476 1.602 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228866 707879299 /nfs/dbraw/zinc/87/92/99/707879299.db2.gz OWFPVWJKZGJQCW-CVEARBPZSA-N 2 2 343.475 1.699 20 0 EDADLP C[C@H](c1cnccn1)[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228866 707879305 /nfs/dbraw/zinc/87/93/05/707879305.db2.gz OWFPVWJKZGJQCW-CVEARBPZSA-N 2 2 343.475 1.699 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033229146 707880826 /nfs/dbraw/zinc/88/08/26/707880826.db2.gz SAICZKXCGMZTOG-OAHLLOKOSA-N 2 2 331.464 1.081 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033229146 707880829 /nfs/dbraw/zinc/88/08/29/707880829.db2.gz SAICZKXCGMZTOG-OAHLLOKOSA-N 2 2 331.464 1.081 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033229785 707886077 /nfs/dbraw/zinc/88/60/77/707886077.db2.gz DOJKYQANWKDVTB-MRXNPFEDSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033229785 707886079 /nfs/dbraw/zinc/88/60/79/707886079.db2.gz DOJKYQANWKDVTB-MRXNPFEDSA-N 2 2 339.399 1.977 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033455522 707936212 /nfs/dbraw/zinc/93/62/12/707936212.db2.gz JUIVNUQIZVDTEX-AWEZNQCLSA-N 2 2 331.420 1.544 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033455522 707936214 /nfs/dbraw/zinc/93/62/14/707936214.db2.gz JUIVNUQIZVDTEX-AWEZNQCLSA-N 2 2 331.420 1.544 20 0 EDADLP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139112 708099523 /nfs/dbraw/zinc/09/95/23/708099523.db2.gz JQBUQUBKLUYQKH-ZFWWWQNUSA-N 2 2 332.448 1.613 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001139112 708099528 /nfs/dbraw/zinc/09/95/28/708099528.db2.gz JQBUQUBKLUYQKH-ZFWWWQNUSA-N 2 2 332.448 1.613 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001033550723 708185682 /nfs/dbraw/zinc/18/56/82/708185682.db2.gz IOWURCFFFOQWDX-GOSISDBHSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001033550723 708185686 /nfs/dbraw/zinc/18/56/86/708185686.db2.gz IOWURCFFFOQWDX-GOSISDBHSA-N 2 2 347.507 1.573 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)nn1C ZINC001033581018 708262685 /nfs/dbraw/zinc/26/26/85/708262685.db2.gz HWPADZLXSWEPKW-NVXWUHKLSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)nn1C ZINC001033581018 708262688 /nfs/dbraw/zinc/26/26/88/708262688.db2.gz HWPADZLXSWEPKW-NVXWUHKLSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1C ZINC001033581018 708262694 /nfs/dbraw/zinc/26/26/94/708262694.db2.gz HWPADZLXSWEPKW-NVXWUHKLSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1C ZINC001033581018 708262697 /nfs/dbraw/zinc/26/26/97/708262697.db2.gz HWPADZLXSWEPKW-NVXWUHKLSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582074 708264546 /nfs/dbraw/zinc/26/45/46/708264546.db2.gz NSAFKKAACADABJ-ZIAGYGMSSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582074 708264549 /nfs/dbraw/zinc/26/45/49/708264549.db2.gz NSAFKKAACADABJ-ZIAGYGMSSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033582074 708264554 /nfs/dbraw/zinc/26/45/54/708264554.db2.gz NSAFKKAACADABJ-ZIAGYGMSSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033582074 708264558 /nfs/dbraw/zinc/26/45/58/708264558.db2.gz NSAFKKAACADABJ-ZIAGYGMSSA-N 2 2 337.493 1.221 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033587469 708279128 /nfs/dbraw/zinc/27/91/28/708279128.db2.gz FVEMWZUMODKVIU-AWEZNQCLSA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033587469 708279129 /nfs/dbraw/zinc/27/91/29/708279129.db2.gz FVEMWZUMODKVIU-AWEZNQCLSA-N 2 2 334.464 1.789 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033595788 708300559 /nfs/dbraw/zinc/30/05/59/708300559.db2.gz VCGDGJPYQVTBAA-HNNXBMFYSA-N 2 2 344.463 1.462 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033595788 708300563 /nfs/dbraw/zinc/30/05/63/708300563.db2.gz VCGDGJPYQVTBAA-HNNXBMFYSA-N 2 2 344.463 1.462 20 0 EDADLP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCC1 ZINC001033615911 708341511 /nfs/dbraw/zinc/34/15/11/708341511.db2.gz DBZOTAXNIMBDOX-NVXWUHKLSA-N 2 2 334.464 1.608 20 0 EDADLP CO[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1)C1CCC1 ZINC001033615911 708341515 /nfs/dbraw/zinc/34/15/15/708341515.db2.gz DBZOTAXNIMBDOX-NVXWUHKLSA-N 2 2 334.464 1.608 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033616622 708342536 /nfs/dbraw/zinc/34/25/36/708342536.db2.gz JWRDVMFWZJCMDP-CABCVRRESA-N 2 2 334.464 1.608 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033616622 708342538 /nfs/dbraw/zinc/34/25/38/708342538.db2.gz JWRDVMFWZJCMDP-CABCVRRESA-N 2 2 334.464 1.608 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001033686789 708501566 /nfs/dbraw/zinc/50/15/66/708501566.db2.gz SVHCFHKJQDDKKV-NVXWUHKLSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001033686789 708501568 /nfs/dbraw/zinc/50/15/68/708501568.db2.gz SVHCFHKJQDDKKV-NVXWUHKLSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001033686789 708501569 /nfs/dbraw/zinc/50/15/69/708501569.db2.gz SVHCFHKJQDDKKV-NVXWUHKLSA-N 2 2 348.495 1.205 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001033686789 708501571 /nfs/dbraw/zinc/50/15/71/708501571.db2.gz SVHCFHKJQDDKKV-NVXWUHKLSA-N 2 2 348.495 1.205 20 0 EDADLP C[C@H](O)C[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)CC1 ZINC001002041600 708562993 /nfs/dbraw/zinc/56/29/93/708562993.db2.gz JWYJJHWRYKPZOK-AWEZNQCLSA-N 2 2 343.431 1.090 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nonc2C)CC1 ZINC001002160166 708673953 /nfs/dbraw/zinc/67/39/53/708673953.db2.gz UXFVLYWXBLXOCE-KRWDZBQOSA-N 2 2 349.479 1.581 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nonc2C)CC1 ZINC001002160166 708673956 /nfs/dbraw/zinc/67/39/56/708673956.db2.gz UXFVLYWXBLXOCE-KRWDZBQOSA-N 2 2 349.479 1.581 20 0 EDADLP CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033839568 708870051 /nfs/dbraw/zinc/87/00/51/708870051.db2.gz QVTVVMBZKCNHKD-WMLDXEAASA-N 2 2 349.479 1.359 20 0 EDADLP CCN(C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033839568 708870053 /nfs/dbraw/zinc/87/00/53/708870053.db2.gz QVTVVMBZKCNHKD-WMLDXEAASA-N 2 2 349.479 1.359 20 0 EDADLP CCN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1)[C@H]1CC[NH+](CCOC)C1 ZINC001033839568 708870055 /nfs/dbraw/zinc/87/00/55/708870055.db2.gz QVTVVMBZKCNHKD-WMLDXEAASA-N 2 2 349.479 1.359 20 0 EDADLP CCN(C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1)[C@H]1CC[NH+](CCOC)C1 ZINC001033839568 708870057 /nfs/dbraw/zinc/87/00/57/708870057.db2.gz QVTVVMBZKCNHKD-WMLDXEAASA-N 2 2 349.479 1.359 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033928281 709059731 /nfs/dbraw/zinc/05/97/31/709059731.db2.gz WKQPWMGPEFLOPL-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033928281 709059733 /nfs/dbraw/zinc/05/97/33/709059733.db2.gz WKQPWMGPEFLOPL-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033928281 709059736 /nfs/dbraw/zinc/05/97/36/709059736.db2.gz WKQPWMGPEFLOPL-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033928281 709059738 /nfs/dbraw/zinc/05/97/38/709059738.db2.gz WKQPWMGPEFLOPL-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034005208 709245845 /nfs/dbraw/zinc/24/58/45/709245845.db2.gz SESYCJXNTFZHPL-QAPCUYQASA-N 2 2 342.443 1.790 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034005208 709245848 /nfs/dbraw/zinc/24/58/48/709245848.db2.gz SESYCJXNTFZHPL-QAPCUYQASA-N 2 2 342.443 1.790 20 0 EDADLP COc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001034136216 709407057 /nfs/dbraw/zinc/40/70/57/709407057.db2.gz JMXPLHDMYHBYLR-IAGOWNOFSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001034136216 709407060 /nfs/dbraw/zinc/40/70/60/709407060.db2.gz JMXPLHDMYHBYLR-IAGOWNOFSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034136216 709407062 /nfs/dbraw/zinc/40/70/62/709407062.db2.gz JMXPLHDMYHBYLR-IAGOWNOFSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001034136216 709407065 /nfs/dbraw/zinc/40/70/65/709407065.db2.gz JMXPLHDMYHBYLR-IAGOWNOFSA-N 2 2 346.475 1.655 20 0 EDADLP CNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272992 709681149 /nfs/dbraw/zinc/68/11/49/709681149.db2.gz XZHWRQNDOZVBNT-OCCSQVGLSA-N 2 2 343.431 1.282 20 0 EDADLP CNC(=O)[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034272992 709681151 /nfs/dbraw/zinc/68/11/51/709681151.db2.gz XZHWRQNDOZVBNT-OCCSQVGLSA-N 2 2 343.431 1.282 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001061213933 709737235 /nfs/dbraw/zinc/73/72/35/709737235.db2.gz JEFJVQVPBSUKTO-SJORKVTESA-N 2 2 345.491 1.781 20 0 EDADLP Cc1nc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)c(C)[nH+]1 ZINC001061213933 709737237 /nfs/dbraw/zinc/73/72/37/709737237.db2.gz JEFJVQVPBSUKTO-SJORKVTESA-N 2 2 345.491 1.781 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384731 709912344 /nfs/dbraw/zinc/91/23/44/709912344.db2.gz GRCRSPFUGPVZML-KRWDZBQOSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384731 709912348 /nfs/dbraw/zinc/91/23/48/709912348.db2.gz GRCRSPFUGPVZML-KRWDZBQOSA-N 2 2 347.507 1.716 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3nccs3)C2)CC1 ZINC001034385026 709912888 /nfs/dbraw/zinc/91/28/88/709912888.db2.gz IGRMHBOXIUCWCV-OAHLLOKOSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3nccs3)C2)CC1 ZINC001034385026 709912889 /nfs/dbraw/zinc/91/28/89/709912889.db2.gz IGRMHBOXIUCWCV-OAHLLOKOSA-N 2 2 336.505 1.956 20 0 EDADLP O=C(C[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1)NC1CC1 ZINC001003156563 710059533 /nfs/dbraw/zinc/05/95/33/710059533.db2.gz TVZSRLLXMCRSQV-UHFFFAOYSA-N 2 2 341.415 1.036 20 0 EDADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034473965 710079021 /nfs/dbraw/zinc/07/90/21/710079021.db2.gz LUNNOKVBUAZSGP-OAHLLOKOSA-N 2 2 343.431 1.498 20 0 EDADLP COCC[N@H+]1CCCC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001034473965 710079025 /nfs/dbraw/zinc/07/90/25/710079025.db2.gz LUNNOKVBUAZSGP-OAHLLOKOSA-N 2 2 343.431 1.498 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001034486002 710132065 /nfs/dbraw/zinc/13/20/65/710132065.db2.gz VRENFTCQJLBZAY-RDJZCZTQSA-N 2 2 334.464 1.502 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001034486002 710132068 /nfs/dbraw/zinc/13/20/68/710132068.db2.gz VRENFTCQJLBZAY-RDJZCZTQSA-N 2 2 334.464 1.502 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cnoc2C)C1 ZINC001034502475 710142851 /nfs/dbraw/zinc/14/28/51/710142851.db2.gz GLVMILMQWHNVCH-HNNXBMFYSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](Cc2cnoc2C)C1 ZINC001034502475 710142852 /nfs/dbraw/zinc/14/28/52/710142852.db2.gz GLVMILMQWHNVCH-HNNXBMFYSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC001003245269 710168961 /nfs/dbraw/zinc/16/89/61/710168961.db2.gz WLSNMOCISPBHRZ-CYBMUJFWSA-N 2 2 347.463 1.648 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cnc(C)nc2)C1 ZINC001034526766 710179703 /nfs/dbraw/zinc/17/97/03/710179703.db2.gz CHPOZTGEBLDBJK-QGZVFWFLSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001034526766 710179705 /nfs/dbraw/zinc/17/97/05/710179705.db2.gz CHPOZTGEBLDBJK-QGZVFWFLSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC001034529527 710184804 /nfs/dbraw/zinc/18/48/04/710184804.db2.gz INPDNCUVGYTYTF-HOCLYGCPSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+]([C@@H](C)c2ncccn2)C1 ZINC001034529527 710184806 /nfs/dbraw/zinc/18/48/06/710184806.db2.gz INPDNCUVGYTYTF-HOCLYGCPSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC001005588843 710622785 /nfs/dbraw/zinc/62/27/85/710622785.db2.gz NSZPFLXMKGWOHS-QGZVFWFLSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC001005588843 710622790 /nfs/dbraw/zinc/62/27/90/710622790.db2.gz NSZPFLXMKGWOHS-QGZVFWFLSA-N 2 2 334.464 1.890 20 0 EDADLP CCc1nc(N2CC[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001061773496 710644271 /nfs/dbraw/zinc/64/42/71/710644271.db2.gz DHFHUPAIQZVRSL-JKSUJKDBSA-N 2 2 345.491 1.774 20 0 EDADLP CCc1nc(N2CC[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001061773496 710644274 /nfs/dbraw/zinc/64/42/74/710644274.db2.gz DHFHUPAIQZVRSL-JKSUJKDBSA-N 2 2 345.491 1.774 20 0 EDADLP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1)OC ZINC001005605915 710686324 /nfs/dbraw/zinc/68/63/24/710686324.db2.gz KYDZJMQDXCBLGY-NVXWUHKLSA-N 2 2 348.491 1.793 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2noc(C)n2)CC1 ZINC001034692652 710782776 /nfs/dbraw/zinc/78/27/76/710782776.db2.gz MUWLOCRVUGJZCK-QEJZJMRPSA-N 2 2 346.435 1.661 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC001034693273 710783365 /nfs/dbraw/zinc/78/33/65/710783365.db2.gz VXLAVHFPBMSBND-HDJSIYSDSA-N 2 2 346.435 1.354 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001005638677 710793186 /nfs/dbraw/zinc/79/31/86/710793186.db2.gz KUKOEUWEOQHAKF-ZDUSSCGKSA-N 2 2 338.452 1.308 20 0 EDADLP CCCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744194 710934460 /nfs/dbraw/zinc/93/44/60/710934460.db2.gz NYNMIXDSLSUPIG-HDJSIYSDSA-N 2 2 345.451 1.171 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)s1 ZINC001034744343 710959627 /nfs/dbraw/zinc/95/96/27/710959627.db2.gz RLWUTKOTHVLIBO-JOCQHMNTSA-N 2 2 333.461 1.934 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001034744571 710960194 /nfs/dbraw/zinc/96/01/94/710960194.db2.gz XCLLKRIAGFXQHO-QENJDRBJSA-N 2 2 334.464 1.784 20 0 EDADLP COc1ccc(F)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032960054 710966684 /nfs/dbraw/zinc/96/66/84/710966684.db2.gz MASLQKRXAZKGIQ-IAGOWNOFSA-N 2 2 349.450 1.961 20 0 EDADLP COc1ccc(F)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032960054 710966689 /nfs/dbraw/zinc/96/66/89/710966689.db2.gz MASLQKRXAZKGIQ-IAGOWNOFSA-N 2 2 349.450 1.961 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032960054 710966693 /nfs/dbraw/zinc/96/66/93/710966693.db2.gz MASLQKRXAZKGIQ-IAGOWNOFSA-N 2 2 349.450 1.961 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001032960054 710966699 /nfs/dbraw/zinc/96/66/99/710966699.db2.gz MASLQKRXAZKGIQ-IAGOWNOFSA-N 2 2 349.450 1.961 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001034764400 711039928 /nfs/dbraw/zinc/03/99/28/711039928.db2.gz UEEGJVJXUNEOEY-BRWVUGGUSA-N 2 2 342.443 1.703 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)on1 ZINC001034776643 711052988 /nfs/dbraw/zinc/05/29/88/711052988.db2.gz VXOBASLACWWQHG-HDJSIYSDSA-N 2 2 331.420 1.476 20 0 EDADLP CCc1noc(C)c1C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003971442 711122832 /nfs/dbraw/zinc/12/28/32/711122832.db2.gz PHHVFZIBSIODQM-UHFFFAOYSA-N 2 2 345.447 1.602 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)c3c[nH+]ccc3N(C)C)CC2)no1 ZINC001003983200 711182167 /nfs/dbraw/zinc/18/21/67/711182167.db2.gz HZMKQRCEBBHOLJ-UHFFFAOYSA-N 2 2 343.431 1.838 20 0 EDADLP CC(C)Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001034882614 711283663 /nfs/dbraw/zinc/28/36/63/711283663.db2.gz CVLZIJBKRBZYBR-CABCVRRESA-N 2 2 349.479 1.443 20 0 EDADLP CC(C)Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001034882614 711283666 /nfs/dbraw/zinc/28/36/66/711283666.db2.gz CVLZIJBKRBZYBR-CABCVRRESA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001034934236 711360125 /nfs/dbraw/zinc/36/01/25/711360125.db2.gz JIMCVUIQWJZPEG-CABCVRRESA-N 2 2 349.479 1.585 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)n1 ZINC001034934236 711360127 /nfs/dbraw/zinc/36/01/27/711360127.db2.gz JIMCVUIQWJZPEG-CABCVRRESA-N 2 2 349.479 1.585 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001004053787 711376361 /nfs/dbraw/zinc/37/63/61/711376361.db2.gz QULZTFYLRWSUIX-OAHLLOKOSA-N 2 2 334.464 1.658 20 0 EDADLP CO[C@@H](C[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1)C1CCC1 ZINC001004053791 711376389 /nfs/dbraw/zinc/37/63/89/711376389.db2.gz QXJKLGLNCNVDBZ-KRWDZBQOSA-N 2 2 334.464 1.656 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001034959653 711434965 /nfs/dbraw/zinc/43/49/65/711434965.db2.gz FLRPSDHKNLZLQZ-PBHICJAKSA-N 2 2 349.479 1.443 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cnc(Cl)s3)CC2)C1 ZINC001004142054 711542139 /nfs/dbraw/zinc/54/21/39/711542139.db2.gz GSSONYNAZCGLGI-LLVKDONJSA-N 2 2 342.896 1.829 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cnc(Cl)s3)CC2)C1 ZINC001004142054 711542141 /nfs/dbraw/zinc/54/21/41/711542141.db2.gz GSSONYNAZCGLGI-LLVKDONJSA-N 2 2 342.896 1.829 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)C1 ZINC001004146847 711557699 /nfs/dbraw/zinc/55/76/99/711557699.db2.gz BGMDAJQFPOTSGY-HNNXBMFYSA-N 2 2 345.491 1.252 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc4n(n3)CCCC4)CC2)C1 ZINC001004146847 711557700 /nfs/dbraw/zinc/55/77/00/711557700.db2.gz BGMDAJQFPOTSGY-HNNXBMFYSA-N 2 2 345.491 1.252 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004576028 712003114 /nfs/dbraw/zinc/00/31/14/712003114.db2.gz CMKMCKPWEXBORF-RHSMWYFYSA-N 2 2 334.464 1.284 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004576028 712003115 /nfs/dbraw/zinc/00/31/15/712003115.db2.gz CMKMCKPWEXBORF-RHSMWYFYSA-N 2 2 334.464 1.284 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004576028 712003116 /nfs/dbraw/zinc/00/31/16/712003116.db2.gz CMKMCKPWEXBORF-RHSMWYFYSA-N 2 2 334.464 1.284 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004576028 712003117 /nfs/dbraw/zinc/00/31/17/712003117.db2.gz CMKMCKPWEXBORF-RHSMWYFYSA-N 2 2 334.464 1.284 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631529 712019558 /nfs/dbraw/zinc/01/95/58/712019558.db2.gz MDSFFQZUMYEKKH-NQNKBUKLSA-N 2 2 346.475 1.719 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946631529 712019560 /nfs/dbraw/zinc/01/95/60/712019560.db2.gz MDSFFQZUMYEKKH-NQNKBUKLSA-N 2 2 346.475 1.719 20 0 EDADLP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631529 712019561 /nfs/dbraw/zinc/01/95/61/712019561.db2.gz MDSFFQZUMYEKKH-NQNKBUKLSA-N 2 2 346.475 1.719 20 0 EDADLP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946631529 712019562 /nfs/dbraw/zinc/01/95/62/712019562.db2.gz MDSFFQZUMYEKKH-NQNKBUKLSA-N 2 2 346.475 1.719 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1CO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052871517 214152730 /nfs/dbraw/zinc/15/27/30/214152730.db2.gz YPZDKJUBDWIHIY-SFHVURJKSA-N 2 2 347.459 1.304 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1CO)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052871517 214152732 /nfs/dbraw/zinc/15/27/32/214152732.db2.gz YPZDKJUBDWIHIY-SFHVURJKSA-N 2 2 347.459 1.304 20 0 EDADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181022122 529430757 /nfs/dbraw/zinc/43/07/57/529430757.db2.gz XCMPLTATWBMOIL-RTBURBONSA-N 2 2 345.487 1.530 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)cc[nH+]1 ZINC000371930144 282186572 /nfs/dbraw/zinc/18/65/72/282186572.db2.gz HAJCAKMSOYNJKV-HOTGVXAUSA-N 2 2 329.448 1.308 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cc[nH+]1 ZINC000371930144 282186573 /nfs/dbraw/zinc/18/65/73/282186573.db2.gz HAJCAKMSOYNJKV-HOTGVXAUSA-N 2 2 329.448 1.308 20 0 EDADLP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)cc21 ZINC000175090310 231383128 /nfs/dbraw/zinc/38/31/28/231383128.db2.gz GCAVVBYHYYJYGH-KRWDZBQOSA-N 2 2 330.432 1.472 20 0 EDADLP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)cc21 ZINC000175090310 231383131 /nfs/dbraw/zinc/38/31/31/231383131.db2.gz GCAVVBYHYYJYGH-KRWDZBQOSA-N 2 2 330.432 1.472 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1c(F)cccc1F ZINC000133862343 282238461 /nfs/dbraw/zinc/23/84/61/282238461.db2.gz BFBLKCFDZJZJCN-BXUZGUMPSA-N 2 2 343.443 1.779 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000155953001 282275695 /nfs/dbraw/zinc/27/56/95/282275695.db2.gz CJZJBQASUPWHNP-SJORKVTESA-N 2 2 348.491 1.699 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000433838399 305113721 /nfs/dbraw/zinc/11/37/21/305113721.db2.gz KELSGWFXQALAMY-IRXDYDNUSA-N 2 2 325.497 1.532 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000561174280 306283907 /nfs/dbraw/zinc/28/39/07/306283907.db2.gz LELUBVVGXPGTDL-GOSISDBHSA-N 2 2 343.406 1.906 20 0 EDADLP FC(F)(F)Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000337408147 539689382 /nfs/dbraw/zinc/68/93/82/539689382.db2.gz OUFHSAPJUUOUBW-CQSZACIVSA-N 2 2 346.397 1.990 20 0 EDADLP FC(F)(F)Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000337408147 539689388 /nfs/dbraw/zinc/68/93/88/539689388.db2.gz OUFHSAPJUUOUBW-CQSZACIVSA-N 2 2 346.397 1.990 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)[NH+]1CC(C)C1 ZINC000561316268 306286975 /nfs/dbraw/zinc/28/69/75/306286975.db2.gz PQBPWPWXBJTHPP-LSDHHAIUSA-N 2 2 332.448 1.468 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000068282794 215297263 /nfs/dbraw/zinc/29/72/63/215297263.db2.gz QAYPFBWAEMGDKW-UHFFFAOYSA-N 2 2 328.416 1.519 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)c3ccc4[nH+]ccn4c3)cn2)CC1 ZINC000068511647 215314444 /nfs/dbraw/zinc/31/44/44/215314444.db2.gz RXPPYRQKMCVOPL-UHFFFAOYSA-N 2 2 336.399 1.733 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000354869128 282743545 /nfs/dbraw/zinc/74/35/45/282743545.db2.gz WIIIEEMGAPTWFA-HIFRSBDPSA-N 2 2 349.458 1.469 20 0 EDADLP COCCOC[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000562996812 306314983 /nfs/dbraw/zinc/31/49/83/306314983.db2.gz OCTVWSWVBOCXHV-QAPCUYQASA-N 2 2 337.464 1.221 20 0 EDADLP Cc1cc(N2CCC(NC(=O)CCc3c[nH+]c[nH]3)CC2)nc(C)[nH+]1 ZINC000276412993 540060953 /nfs/dbraw/zinc/06/09/53/540060953.db2.gz ISLXDIQFUCDNEW-UHFFFAOYSA-N 2 2 328.420 1.534 20 0 EDADLP Cc1cc(N2CCC(NC(=O)CCc3c[nH]c[nH+]3)CC2)nc(C)[nH+]1 ZINC000276412993 540060956 /nfs/dbraw/zinc/06/09/56/540060956.db2.gz ISLXDIQFUCDNEW-UHFFFAOYSA-N 2 2 328.420 1.534 20 0 EDADLP C[C@H](CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000563253568 306324811 /nfs/dbraw/zinc/32/48/11/306324811.db2.gz WMHOJSKDUHYPFL-QAPCUYQASA-N 2 2 342.443 1.717 20 0 EDADLP C[C@H](CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000563253568 306324812 /nfs/dbraw/zinc/32/48/12/306324812.db2.gz WMHOJSKDUHYPFL-QAPCUYQASA-N 2 2 342.443 1.717 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000105064855 540190808 /nfs/dbraw/zinc/19/08/08/540190808.db2.gz CNKJMLHNWOEADS-IRXDYDNUSA-N 2 2 348.495 1.083 20 0 EDADLP C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000563498910 306335785 /nfs/dbraw/zinc/33/57/85/306335785.db2.gz DFKHCHCXLJWIEP-KBPBESRZSA-N 2 2 332.448 1.563 20 0 EDADLP CCOCCO[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797149 138133257 /nfs/dbraw/zinc/13/32/57/138133257.db2.gz QSONQYYFWWONPH-OAHLLOKOSA-N 2 2 341.496 1.103 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000073944054 138222473 /nfs/dbraw/zinc/22/24/73/138222473.db2.gz QYXOIAJFLOYLKV-INIZCTEOSA-N 2 2 332.448 1.196 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000073944054 138222474 /nfs/dbraw/zinc/22/24/74/138222474.db2.gz QYXOIAJFLOYLKV-INIZCTEOSA-N 2 2 332.448 1.196 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000073768942 138220789 /nfs/dbraw/zinc/22/07/89/138220789.db2.gz NUPMFVCFOFWCNS-MRXNPFEDSA-N 2 2 332.448 1.196 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C1 ZINC000073768942 138220790 /nfs/dbraw/zinc/22/07/90/138220790.db2.gz NUPMFVCFOFWCNS-MRXNPFEDSA-N 2 2 332.448 1.196 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000085795873 138270783 /nfs/dbraw/zinc/27/07/83/138270783.db2.gz DWKASWJHEVSTNL-CQSZACIVSA-N 2 2 326.466 1.192 20 0 EDADLP CCOCC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000093311848 138293032 /nfs/dbraw/zinc/29/30/32/138293032.db2.gz WBTNJKWZYIVANU-UHFFFAOYSA-N 2 2 341.496 1.106 20 0 EDADLP CCOCC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000093311848 138293033 /nfs/dbraw/zinc/29/30/33/138293033.db2.gz WBTNJKWZYIVANU-UHFFFAOYSA-N 2 2 341.496 1.106 20 0 EDADLP CCCCCCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109755720 138306084 /nfs/dbraw/zinc/30/60/84/138306084.db2.gz PARNLQBPSFVNDG-GOSISDBHSA-N 2 2 338.540 1.785 20 0 EDADLP CCCCCCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109755720 138306085 /nfs/dbraw/zinc/30/60/85/138306085.db2.gz PARNLQBPSFVNDG-GOSISDBHSA-N 2 2 338.540 1.785 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000123756585 138320909 /nfs/dbraw/zinc/32/09/09/138320909.db2.gz ZXSQURKHRRZDAE-QGZVFWFLSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000123756585 138320910 /nfs/dbraw/zinc/32/09/10/138320910.db2.gz ZXSQURKHRRZDAE-QGZVFWFLSA-N 2 2 326.444 1.991 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123974848 138322884 /nfs/dbraw/zinc/32/28/84/138322884.db2.gz XGPHBFDSYGNAJZ-WBVHZDCISA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123974848 138322885 /nfs/dbraw/zinc/32/28/85/138322885.db2.gz XGPHBFDSYGNAJZ-WBVHZDCISA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123974848 138322886 /nfs/dbraw/zinc/32/28/86/138322886.db2.gz XGPHBFDSYGNAJZ-WBVHZDCISA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123974848 138322887 /nfs/dbraw/zinc/32/28/87/138322887.db2.gz XGPHBFDSYGNAJZ-WBVHZDCISA-N 2 2 333.476 1.768 20 0 EDADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1OC(C)C ZINC000563608823 306341657 /nfs/dbraw/zinc/34/16/57/306341657.db2.gz ZFNNYRIBUKQAKA-CQSZACIVSA-N 2 2 336.436 1.589 20 0 EDADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1OC(C)C ZINC000563608823 306341658 /nfs/dbraw/zinc/34/16/58/306341658.db2.gz ZFNNYRIBUKQAKA-CQSZACIVSA-N 2 2 336.436 1.589 20 0 EDADLP CN(CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000131224153 138354669 /nfs/dbraw/zinc/35/46/69/138354669.db2.gz SFUSIWGSOUCIGQ-GOSISDBHSA-N 2 2 330.476 1.537 20 0 EDADLP CN(CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000131224153 138354671 /nfs/dbraw/zinc/35/46/71/138354671.db2.gz SFUSIWGSOUCIGQ-GOSISDBHSA-N 2 2 330.476 1.537 20 0 EDADLP CCC(=O)N1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000563803490 306347694 /nfs/dbraw/zinc/34/76/94/306347694.db2.gz ZDRQNTSNOAKNPG-UHFFFAOYSA-N 2 2 345.487 1.963 20 0 EDADLP CCC(=O)N1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000563803490 306347695 /nfs/dbraw/zinc/34/76/95/306347695.db2.gz ZDRQNTSNOAKNPG-UHFFFAOYSA-N 2 2 345.487 1.963 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC[N@@H+]2CCCOCC2)[nH+]c1 ZINC000186925211 236065992 /nfs/dbraw/zinc/06/59/92/236065992.db2.gz FPDJCNFCQFXGIY-UHFFFAOYSA-N 2 2 335.452 1.214 20 0 EDADLP Cc1ccc(NCCCNC(=O)NCC[N@H+]2CCCOCC2)[nH+]c1 ZINC000186925211 236065995 /nfs/dbraw/zinc/06/59/95/236065995.db2.gz FPDJCNFCQFXGIY-UHFFFAOYSA-N 2 2 335.452 1.214 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000268918479 283324170 /nfs/dbraw/zinc/32/41/70/283324170.db2.gz OHRUSFHNEJCSTL-IRXDYDNUSA-N 2 2 333.501 1.946 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000268918479 283324172 /nfs/dbraw/zinc/32/41/72/283324172.db2.gz OHRUSFHNEJCSTL-IRXDYDNUSA-N 2 2 333.501 1.946 20 0 EDADLP Cc1nccnc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000187748726 236290808 /nfs/dbraw/zinc/29/08/08/236290808.db2.gz AVFDUOOROZMLNL-OAHLLOKOSA-N 2 2 341.463 1.438 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000564727026 306364011 /nfs/dbraw/zinc/36/40/11/306364011.db2.gz UUJLQWSWJCLVQG-NUJGCVRESA-N 2 2 348.491 1.793 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000565154729 306376293 /nfs/dbraw/zinc/37/62/93/306376293.db2.gz BAZNJUYWRDTWPA-TZMCWYRMSA-N 2 2 325.840 1.647 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCOc1ccc(Cl)cc1 ZINC000565154729 306376294 /nfs/dbraw/zinc/37/62/94/306376294.db2.gz BAZNJUYWRDTWPA-TZMCWYRMSA-N 2 2 325.840 1.647 20 0 EDADLP C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000414052975 304099302 /nfs/dbraw/zinc/09/93/02/304099302.db2.gz RIAFECHYEVOVGG-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000131460996 223234836 /nfs/dbraw/zinc/23/48/36/223234836.db2.gz OZWOKGQIOJMDKV-UWVGGRQHSA-N 2 2 327.226 1.452 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000131460996 223234838 /nfs/dbraw/zinc/23/48/38/223234838.db2.gz OZWOKGQIOJMDKV-UWVGGRQHSA-N 2 2 327.226 1.452 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000072758815 216302640 /nfs/dbraw/zinc/30/26/40/216302640.db2.gz GMBHDGLBIMSGAK-INIZCTEOSA-N 2 2 347.459 1.838 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000072758815 216302642 /nfs/dbraw/zinc/30/26/42/216302642.db2.gz GMBHDGLBIMSGAK-INIZCTEOSA-N 2 2 347.459 1.838 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000072758815 216302644 /nfs/dbraw/zinc/30/26/44/216302644.db2.gz GMBHDGLBIMSGAK-INIZCTEOSA-N 2 2 347.459 1.838 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000072758815 216302646 /nfs/dbraw/zinc/30/26/46/216302646.db2.gz GMBHDGLBIMSGAK-INIZCTEOSA-N 2 2 347.459 1.838 20 0 EDADLP CO[C@@H]1COCC[C@@H]1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000414200747 304105623 /nfs/dbraw/zinc/10/56/23/304105623.db2.gz DJXAMIPVKZIOEO-IUODEOHRSA-N 2 2 340.387 1.674 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000565782709 306391800 /nfs/dbraw/zinc/39/18/00/306391800.db2.gz JAXNGLOOQBGBRN-SJORKVTESA-N 2 2 332.448 1.222 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000565782709 306391801 /nfs/dbraw/zinc/39/18/01/306391801.db2.gz JAXNGLOOQBGBRN-SJORKVTESA-N 2 2 332.448 1.222 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000565782709 306391802 /nfs/dbraw/zinc/39/18/02/306391802.db2.gz JAXNGLOOQBGBRN-SJORKVTESA-N 2 2 332.448 1.222 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000565782709 306391803 /nfs/dbraw/zinc/39/18/03/306391803.db2.gz JAXNGLOOQBGBRN-SJORKVTESA-N 2 2 332.448 1.222 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nn1C ZINC000414356070 304110977 /nfs/dbraw/zinc/11/09/77/304110977.db2.gz DEXTYJFJZNWSPI-HKUYNNGSSA-N 2 2 328.460 1.701 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)nn1C ZINC000414356070 304110980 /nfs/dbraw/zinc/11/09/80/304110980.db2.gz DEXTYJFJZNWSPI-HKUYNNGSSA-N 2 2 328.460 1.701 20 0 EDADLP COc1ccccc1N1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1=O ZINC000414387101 304113706 /nfs/dbraw/zinc/11/37/06/304113706.db2.gz ZYCOPJSWWSILIQ-CQSZACIVSA-N 2 2 343.431 1.390 20 0 EDADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3ccc(Cl)cn23)CC[N@H+](C)C1 ZINC000414487346 304118974 /nfs/dbraw/zinc/11/89/74/304118974.db2.gz KPFQNYQVUGHIDI-LBPRGKRZSA-N 2 2 336.823 1.524 20 0 EDADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3ccc(Cl)cn23)CC[N@@H+](C)C1 ZINC000414487346 304118976 /nfs/dbraw/zinc/11/89/76/304118976.db2.gz KPFQNYQVUGHIDI-LBPRGKRZSA-N 2 2 336.823 1.524 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H]([C@H](C)O)C2)CC1 ZINC000414593712 304125003 /nfs/dbraw/zinc/12/50/03/304125003.db2.gz RDXFPJYDBBUYBK-LPHOPBHVSA-N 2 2 333.476 1.410 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H]([C@H](C)O)C2)CC1 ZINC000414593712 304125004 /nfs/dbraw/zinc/12/50/04/304125004.db2.gz RDXFPJYDBBUYBK-LPHOPBHVSA-N 2 2 333.476 1.410 20 0 EDADLP O=C(c1cc2occc2s1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000566244126 306405992 /nfs/dbraw/zinc/40/59/92/306405992.db2.gz BHTTVXVPONLJJH-UHFFFAOYSA-N 2 2 348.472 1.157 20 0 EDADLP CC(C)(C)[NH2+]CCN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000414739552 304135386 /nfs/dbraw/zinc/13/53/86/304135386.db2.gz GAOFEVWZSUPCEG-UHFFFAOYSA-N 2 2 344.503 1.581 20 0 EDADLP CCN(C(=O)/C=C/C[NH+](C)C)[C@H](c1[nH+]ccn1C)c1cccnc1 ZINC000365400374 284135226 /nfs/dbraw/zinc/13/52/26/284135226.db2.gz HEBYYGBXYCZGBH-LKUPDRCFSA-N 2 2 327.432 1.871 20 0 EDADLP COc1ccc(OCc2ccccn2)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415039197 304153392 /nfs/dbraw/zinc/15/33/92/304153392.db2.gz OTAXXLKBZYSPJN-DZFIZOCASA-N 2 2 325.412 1.977 20 0 EDADLP CCCOc1ccc(Br)cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415054354 304155079 /nfs/dbraw/zinc/15/50/79/304155079.db2.gz LOGQWAKLMBZWOV-ZDUSSCGKSA-N 2 2 331.254 1.989 20 0 EDADLP CCCOc1ccc(Br)cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415054354 304155081 /nfs/dbraw/zinc/15/50/81/304155081.db2.gz LOGQWAKLMBZWOV-ZDUSSCGKSA-N 2 2 331.254 1.989 20 0 EDADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415065938 304156368 /nfs/dbraw/zinc/15/63/68/304156368.db2.gz HYYQSVWENXNMJN-MRXNPFEDSA-N 2 2 336.867 1.953 20 0 EDADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415065938 304156370 /nfs/dbraw/zinc/15/63/70/304156370.db2.gz HYYQSVWENXNMJN-MRXNPFEDSA-N 2 2 336.867 1.953 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C3([NH3+])CCCC3)CC2)c1 ZINC000237378537 139049600 /nfs/dbraw/zinc/04/96/00/139049600.db2.gz BNRYITFSUNTPTB-UHFFFAOYSA-N 2 2 347.459 1.620 20 0 EDADLP Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)nc1 ZINC000567556465 306454745 /nfs/dbraw/zinc/45/47/45/306454745.db2.gz VVLCXMGLMJJXFH-UHFFFAOYSA-N 2 2 328.420 1.260 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1COCC[NH2+]1 ZINC000237671049 139057595 /nfs/dbraw/zinc/05/75/95/139057595.db2.gz QEZGWXJOOFDWOK-INIZCTEOSA-N 2 2 337.851 1.409 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237980783 139065675 /nfs/dbraw/zinc/06/56/75/139065675.db2.gz IVASFSIEOJDHQL-OAHLLOKOSA-N 2 2 335.473 1.132 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000245421047 139073550 /nfs/dbraw/zinc/07/35/50/139073550.db2.gz HUBZBABZNFABNQ-QZTJIDSGSA-N 2 2 348.466 1.454 20 0 EDADLP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000245421047 139073551 /nfs/dbraw/zinc/07/35/51/139073551.db2.gz HUBZBABZNFABNQ-QZTJIDSGSA-N 2 2 348.466 1.454 20 0 EDADLP CCCCOC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245442994 139075178 /nfs/dbraw/zinc/07/51/78/139075178.db2.gz WTIBQHZVPQJAQM-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCCOC(=O)[C@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245442994 139075179 /nfs/dbraw/zinc/07/51/79/139075179.db2.gz WTIBQHZVPQJAQM-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245472530 139076554 /nfs/dbraw/zinc/07/65/54/139076554.db2.gz ZFSKJBXIMMRDHV-KGLIPLIRSA-N 2 2 346.431 1.502 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245472530 139076555 /nfs/dbraw/zinc/07/65/55/139076555.db2.gz ZFSKJBXIMMRDHV-KGLIPLIRSA-N 2 2 346.431 1.502 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)n1cc[nH+]c1 ZINC000567991674 306468695 /nfs/dbraw/zinc/46/86/95/306468695.db2.gz ZFKGXQRBUBWHMH-ZDUSSCGKSA-N 2 2 329.404 1.973 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415315208 304192813 /nfs/dbraw/zinc/19/28/13/304192813.db2.gz LJWMLDQIIWPCLS-ZDUSSCGKSA-N 2 2 335.452 1.866 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000247054023 139133696 /nfs/dbraw/zinc/13/36/96/139133696.db2.gz OMBDDONMWOTHAI-QGZVFWFLSA-N 2 2 336.455 1.310 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000247054023 139133697 /nfs/dbraw/zinc/13/36/97/139133697.db2.gz OMBDDONMWOTHAI-QGZVFWFLSA-N 2 2 336.455 1.310 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000247088247 139135289 /nfs/dbraw/zinc/13/52/89/139135289.db2.gz HLQFPZRACCOKGJ-ZIAGYGMSSA-N 2 2 335.452 1.705 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000247088247 139135290 /nfs/dbraw/zinc/13/52/90/139135290.db2.gz HLQFPZRACCOKGJ-ZIAGYGMSSA-N 2 2 335.452 1.705 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCC[C@@H](C)[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000415378522 304208703 /nfs/dbraw/zinc/20/87/03/304208703.db2.gz PTTDPGMHPFQZOX-CYBMUJFWSA-N 2 2 342.399 1.974 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000247510710 139150822 /nfs/dbraw/zinc/15/08/22/139150822.db2.gz POTVVSQLUSYPRL-BBWFWOEESA-N 2 2 345.487 1.659 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000247510710 139150823 /nfs/dbraw/zinc/15/08/23/139150823.db2.gz POTVVSQLUSYPRL-BBWFWOEESA-N 2 2 345.487 1.659 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000249285029 139190340 /nfs/dbraw/zinc/19/03/40/139190340.db2.gz IGEVAMCSZPOWKQ-ZIAGYGMSSA-N 2 2 347.381 1.261 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000249822332 139198933 /nfs/dbraw/zinc/19/89/33/139198933.db2.gz HJHBSKYETKSUFK-LZWOXQAQSA-N 2 2 332.448 1.311 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000261607854 139210394 /nfs/dbraw/zinc/21/03/94/139210394.db2.gz CZYJWIFOYIHVTN-WMZOPIPTSA-N 2 2 330.476 1.752 20 0 EDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261632998 139213065 /nfs/dbraw/zinc/21/30/65/139213065.db2.gz HTZUATKXMURDCY-VXGBXAGGSA-N 2 2 327.881 1.901 20 0 EDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261632998 139213066 /nfs/dbraw/zinc/21/30/66/139213066.db2.gz HTZUATKXMURDCY-VXGBXAGGSA-N 2 2 327.881 1.901 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261800188 139227188 /nfs/dbraw/zinc/22/71/88/139227188.db2.gz VRZXPSRCPDYROL-SGTLLEGYSA-N 2 2 348.447 1.651 20 0 EDADLP COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261800188 139227189 /nfs/dbraw/zinc/22/71/89/139227189.db2.gz VRZXPSRCPDYROL-SGTLLEGYSA-N 2 2 348.447 1.651 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000261769485 139224569 /nfs/dbraw/zinc/22/45/69/139224569.db2.gz SATKDWADFNFONO-GOSISDBHSA-N 2 2 330.432 1.423 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000261769485 139224570 /nfs/dbraw/zinc/22/45/70/139224570.db2.gz SATKDWADFNFONO-GOSISDBHSA-N 2 2 330.432 1.423 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3([NH3+])CCOCC3)n2)C1 ZINC000261917935 139236911 /nfs/dbraw/zinc/23/69/11/139236911.db2.gz USJQMBVAAICZHD-LBPRGKRZSA-N 2 2 338.477 1.821 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000261918093 139236948 /nfs/dbraw/zinc/23/69/48/139236948.db2.gz YIPPBSUWXZDZMK-IBGZPJMESA-N 2 2 345.487 1.522 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000261918093 139236949 /nfs/dbraw/zinc/23/69/49/139236949.db2.gz YIPPBSUWXZDZMK-IBGZPJMESA-N 2 2 345.487 1.522 20 0 EDADLP COc1ccc(CCC(=O)N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261953913 139239676 /nfs/dbraw/zinc/23/96/76/139239676.db2.gz GHYZLVPQSJUUQW-FQEVSTJZSA-N 2 2 345.487 1.772 20 0 EDADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261978086 139241452 /nfs/dbraw/zinc/24/14/52/139241452.db2.gz NWFJVLPBEOPSHG-GUYCJALGSA-N 2 2 343.406 1.412 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000262035774 139245508 /nfs/dbraw/zinc/24/55/08/139245508.db2.gz ONAQQNXQVZDTQF-UHFFFAOYSA-N 2 2 344.459 1.731 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000415945126 251036450 /nfs/dbraw/zinc/03/64/50/251036450.db2.gz QTMNBEBRNDUXHH-UHFFFAOYSA-N 3 2 333.480 1.554 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000416993408 251120733 /nfs/dbraw/zinc/12/07/33/251120733.db2.gz SLPIIKLKKQKKCM-GDBMZVCRSA-N 2 2 331.464 1.951 20 0 EDADLP C[NH2+][C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1cnn(C)c1 ZINC000262301394 139268104 /nfs/dbraw/zinc/26/81/04/139268104.db2.gz AYGDKHHAOCYEKU-JKSUJKDBSA-N 2 2 349.866 1.753 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCO1 ZINC000416996962 251123335 /nfs/dbraw/zinc/12/33/35/251123335.db2.gz XAGRRMHIFLMGOV-INIZCTEOSA-N 2 2 347.463 1.331 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)[C@H](C)[NH3+] ZINC000416998215 251125607 /nfs/dbraw/zinc/12/56/07/251125607.db2.gz YIIJJUBPWSVZJW-RFQIPJPRSA-N 2 2 335.452 1.230 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417584672 251197742 /nfs/dbraw/zinc/19/77/42/251197742.db2.gz NOJILZNZQCKCQI-OLZOCXBDSA-N 2 2 340.418 1.836 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417584672 251197747 /nfs/dbraw/zinc/19/77/47/251197747.db2.gz NOJILZNZQCKCQI-OLZOCXBDSA-N 2 2 340.418 1.836 20 0 EDADLP C[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417582477 251198763 /nfs/dbraw/zinc/19/87/63/251198763.db2.gz IKNHEEZTSRYMSU-GFCCVEGCSA-N 2 2 326.391 1.448 20 0 EDADLP C[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417582477 251198765 /nfs/dbraw/zinc/19/87/65/251198765.db2.gz IKNHEEZTSRYMSU-GFCCVEGCSA-N 2 2 326.391 1.448 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417603396 251203559 /nfs/dbraw/zinc/20/35/59/251203559.db2.gz RFKKCNGKIWBPTA-ZWKOTPCHSA-N 2 2 348.491 1.212 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000417764284 251261320 /nfs/dbraw/zinc/26/13/20/251261320.db2.gz LTDDWGVSDWUBDK-INIZCTEOSA-N 3 2 339.528 1.363 20 0 EDADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)NCC1=CC[NH2+]CC1 ZINC000417833452 251289817 /nfs/dbraw/zinc/28/98/17/251289817.db2.gz FCSGTGGHDCERSQ-UHFFFAOYSA-N 2 2 339.443 1.845 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000262503284 139282828 /nfs/dbraw/zinc/28/28/28/139282828.db2.gz MFIOXIJOKNBXBH-RYUDHWBXSA-N 2 2 342.896 1.877 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000262503284 139282829 /nfs/dbraw/zinc/28/28/29/139282829.db2.gz MFIOXIJOKNBXBH-RYUDHWBXSA-N 2 2 342.896 1.877 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000418430054 251368705 /nfs/dbraw/zinc/36/87/05/251368705.db2.gz UFJPHXZAFKFNEL-AWEZNQCLSA-N 2 2 334.468 1.210 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000418430054 251368709 /nfs/dbraw/zinc/36/87/09/251368709.db2.gz UFJPHXZAFKFNEL-AWEZNQCLSA-N 2 2 334.468 1.210 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC(F)(F)C[NH3+] ZINC000418527773 251375975 /nfs/dbraw/zinc/37/59/75/251375975.db2.gz UBMYMDKLOTWRFW-ZIAGYGMSSA-N 2 2 340.418 1.885 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC(F)(F)C[NH3+] ZINC000418527773 251375977 /nfs/dbraw/zinc/37/59/77/251375977.db2.gz UBMYMDKLOTWRFW-ZIAGYGMSSA-N 2 2 340.418 1.885 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000262720455 139298834 /nfs/dbraw/zinc/29/88/34/139298834.db2.gz ZEUDYINVNDJRNM-APWZRJJASA-N 2 2 349.475 1.088 20 0 EDADLP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000415599006 304236079 /nfs/dbraw/zinc/23/60/79/304236079.db2.gz LOOFDEPEFINDFP-GFCCVEGCSA-N 2 2 341.415 1.288 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422896279 252014969 /nfs/dbraw/zinc/01/49/69/252014969.db2.gz IBGNQWYZJRYSNP-RTBURBONSA-N 3 2 333.476 1.484 20 0 EDADLP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c(N2CCOCC2)c1 ZINC000422861391 252003316 /nfs/dbraw/zinc/00/33/16/252003316.db2.gz JIKUUQLXFBMPNW-SJLPKXTDSA-N 2 2 333.476 1.688 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423319974 252046322 /nfs/dbraw/zinc/04/63/22/252046322.db2.gz FWPICAJLYXNPBH-OAHLLOKOSA-N 2 2 328.420 1.199 20 0 EDADLP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3COCC[NH2+]3)c2)CC1 ZINC000423856471 252094731 /nfs/dbraw/zinc/09/47/31/252094731.db2.gz XQRBELPMTMNKBB-GOSISDBHSA-N 2 2 331.460 1.888 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000423931573 252106029 /nfs/dbraw/zinc/10/60/29/252106029.db2.gz QLGWOPIFGWMJSG-GJZGRUSLSA-N 2 2 332.448 1.660 20 0 EDADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303148 252194573 /nfs/dbraw/zinc/19/45/73/252194573.db2.gz NKWJYIGBLFYVMF-MRXNPFEDSA-N 2 2 336.455 1.010 20 0 EDADLP CC(C)NC(=O)CN1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303148 252194576 /nfs/dbraw/zinc/19/45/76/252194576.db2.gz NKWJYIGBLFYVMF-MRXNPFEDSA-N 2 2 336.455 1.010 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)N1CCN(c2ccccc2)CC1 ZINC000424339432 252198448 /nfs/dbraw/zinc/19/84/48/252198448.db2.gz VWOLTPFIIIDWCQ-KBAYOESNSA-N 2 2 330.476 1.583 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424335850 252198781 /nfs/dbraw/zinc/19/87/81/252198781.db2.gz PMTDWITZPUJUMW-IAGOWNOFSA-N 2 2 346.475 1.967 20 0 EDADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000263013419 139317708 /nfs/dbraw/zinc/31/77/08/139317708.db2.gz QAGVBOPEZKWBFC-BJLQDIEVSA-N 2 2 345.487 1.772 20 0 EDADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263013373 139317738 /nfs/dbraw/zinc/31/77/38/139317738.db2.gz PYYOFHREECRAIN-NEPJUHHUSA-N 2 2 329.416 1.998 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)nn1C ZINC000569908869 306524331 /nfs/dbraw/zinc/52/43/31/306524331.db2.gz CJKBDMXDHAPLLJ-UONOGXRCSA-N 2 2 330.436 1.304 20 0 EDADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000183421806 533085739 /nfs/dbraw/zinc/08/57/39/533085739.db2.gz HJPSJTGAORBLJU-INIZCTEOSA-N 2 2 337.489 1.407 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645234753 452228388 /nfs/dbraw/zinc/22/83/88/452228388.db2.gz ZDUWAWIBDOQXAD-CHWSQXEVSA-N 2 2 332.439 1.745 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645234753 452228394 /nfs/dbraw/zinc/22/83/94/452228394.db2.gz ZDUWAWIBDOQXAD-CHWSQXEVSA-N 2 2 332.439 1.745 20 0 EDADLP [NH3+][C@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccccc1 ZINC000263370730 139338524 /nfs/dbraw/zinc/33/85/24/139338524.db2.gz XZPCADVMXXSTHL-QGZVFWFLSA-N 2 2 340.427 1.625 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H]3[C@@H](C)[NH2+]CC[C@@H]3C)C2=O)c1 ZINC000570308816 306537002 /nfs/dbraw/zinc/53/70/02/306537002.db2.gz DXKCZAFATDGHGO-RUZGCFLTSA-N 2 2 347.459 1.785 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccco1 ZINC000162298334 285232864 /nfs/dbraw/zinc/23/28/64/285232864.db2.gz JTHHIFLVWHKTCC-SJORKVTESA-N 2 2 345.443 1.976 20 0 EDADLP C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000488715934 255050453 /nfs/dbraw/zinc/05/04/53/255050453.db2.gz IPGXDJQNTPQZFH-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000488715934 255050455 /nfs/dbraw/zinc/05/04/55/255050455.db2.gz IPGXDJQNTPQZFH-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1 ZINC000488005071 255040065 /nfs/dbraw/zinc/04/00/65/255040065.db2.gz XVEDEPZKWYHYBW-ZIAGYGMSSA-N 2 2 345.438 1.770 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ncnn2CC(F)F)[C@H](C)C1 ZINC000488005071 255040066 /nfs/dbraw/zinc/04/00/66/255040066.db2.gz XVEDEPZKWYHYBW-ZIAGYGMSSA-N 2 2 345.438 1.770 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493801180 255221978 /nfs/dbraw/zinc/22/19/78/255221978.db2.gz FQFMPCINMTZKKF-FPLPWBNLSA-N 2 2 339.443 1.704 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000493244433 255198966 /nfs/dbraw/zinc/19/89/66/255198966.db2.gz ZMAYAOFVQYAJNP-ONEGZZNKSA-N 2 2 346.475 1.877 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](O)C4(CC4)C3)CC2)c1 ZINC000494678355 255257661 /nfs/dbraw/zinc/25/76/61/255257661.db2.gz BAAWDMLIZCCFQG-SFHVURJKSA-N 2 2 343.471 1.096 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](O)C4(CC4)C3)CC2)c1 ZINC000494678355 255257662 /nfs/dbraw/zinc/25/76/62/255257662.db2.gz BAAWDMLIZCCFQG-SFHVURJKSA-N 2 2 343.471 1.096 20 0 EDADLP CN(C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)C1CC([NH3+])C1 ZINC000415794337 304272408 /nfs/dbraw/zinc/27/24/08/304272408.db2.gz VZZLWBWTRHFOHC-UHFFFAOYSA-N 2 2 340.383 1.761 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000370020791 285280610 /nfs/dbraw/zinc/28/06/10/285280610.db2.gz RXIMYGGPQMWLMT-IRXDYDNUSA-N 3 2 347.507 1.635 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000370020791 285280611 /nfs/dbraw/zinc/28/06/11/285280611.db2.gz RXIMYGGPQMWLMT-IRXDYDNUSA-N 3 2 347.507 1.635 20 0 EDADLP Cc1cc(=O)[nH]cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154498839 224262896 /nfs/dbraw/zinc/26/28/96/224262896.db2.gz VSPOAHVKHIJNPG-XYPWUTKMSA-N 2 2 344.459 1.066 20 0 EDADLP Cc1cc(=O)[nH]cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154498839 224262898 /nfs/dbraw/zinc/26/28/98/224262898.db2.gz VSPOAHVKHIJNPG-XYPWUTKMSA-N 2 2 344.459 1.066 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCC12CCOCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000374296992 285306755 /nfs/dbraw/zinc/30/67/55/285306755.db2.gz PIJRNUKZOVXILD-OALUTQOASA-N 2 2 330.472 1.954 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCC12CCOCC2)C[N@H+]1CCc2ccccc2C1 ZINC000374296992 285306758 /nfs/dbraw/zinc/30/67/58/285306758.db2.gz PIJRNUKZOVXILD-OALUTQOASA-N 2 2 330.472 1.954 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000118113738 221120048 /nfs/dbraw/zinc/12/00/48/221120048.db2.gz DZKBYVGZUTWFSL-CQSZACIVSA-N 2 2 348.447 1.800 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000118113738 221120051 /nfs/dbraw/zinc/12/00/51/221120051.db2.gz DZKBYVGZUTWFSL-CQSZACIVSA-N 2 2 348.447 1.800 20 0 EDADLP COC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000119299947 221288471 /nfs/dbraw/zinc/28/84/71/221288471.db2.gz XUNXVMGIZLBKQH-QGZVFWFLSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119661665 221368836 /nfs/dbraw/zinc/36/88/36/221368836.db2.gz RFWSTWLCTGDSOL-PMRDEQMMSA-N 2 2 336.524 1.532 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119661665 221368840 /nfs/dbraw/zinc/36/88/40/221368840.db2.gz RFWSTWLCTGDSOL-PMRDEQMMSA-N 2 2 336.524 1.532 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119661665 221368842 /nfs/dbraw/zinc/36/88/42/221368842.db2.gz RFWSTWLCTGDSOL-PMRDEQMMSA-N 2 2 336.524 1.532 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119661665 221368846 /nfs/dbraw/zinc/36/88/46/221368846.db2.gz RFWSTWLCTGDSOL-PMRDEQMMSA-N 2 2 336.524 1.532 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262264442 285385561 /nfs/dbraw/zinc/38/55/61/285385561.db2.gz JTCZWRUKIBDFQK-BFHYXJOUSA-N 2 2 329.803 1.314 20 0 EDADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262264442 285385566 /nfs/dbraw/zinc/38/55/66/285385566.db2.gz JTCZWRUKIBDFQK-BFHYXJOUSA-N 2 2 329.803 1.314 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1O ZINC000270840993 140180528 /nfs/dbraw/zinc/18/05/28/140180528.db2.gz FCHHDLVGKHVKAK-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1O ZINC000270840993 140180529 /nfs/dbraw/zinc/18/05/29/140180529.db2.gz FCHHDLVGKHVKAK-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP CO[C@H](C)c1noc(CN2CCC[N@H+](CCn3cc[nH+]c3C)CC2)n1 ZINC000270912049 140196516 /nfs/dbraw/zinc/19/65/16/140196516.db2.gz SWPUPJCLQXWBCD-CQSZACIVSA-N 2 2 348.451 1.490 20 0 EDADLP CO[C@H](C)c1noc(CN2CCC[N@@H+](CCn3cc[nH+]c3C)CC2)n1 ZINC000270912049 140196518 /nfs/dbraw/zinc/19/65/18/140196518.db2.gz SWPUPJCLQXWBCD-CQSZACIVSA-N 2 2 348.451 1.490 20 0 EDADLP CCCC[N@H+](CCCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000271816158 140355382 /nfs/dbraw/zinc/35/53/82/140355382.db2.gz ZCWIOGILBUHMHH-UHFFFAOYSA-N 2 2 348.491 1.605 20 0 EDADLP CCCC[N@@H+](CCCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000271816158 140355383 /nfs/dbraw/zinc/35/53/83/140355383.db2.gz ZCWIOGILBUHMHH-UHFFFAOYSA-N 2 2 348.491 1.605 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@@H+]1C ZINC000331354598 141010816 /nfs/dbraw/zinc/01/08/16/141010816.db2.gz PQQLQGDSVUUVQH-CMPLNLGQSA-N 2 2 331.869 1.560 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC[N@H+]1C ZINC000331354598 141010817 /nfs/dbraw/zinc/01/08/17/141010817.db2.gz PQQLQGDSVUUVQH-CMPLNLGQSA-N 2 2 331.869 1.560 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)C[C@@H]1[NH3+] ZINC000331870612 141091799 /nfs/dbraw/zinc/09/17/99/141091799.db2.gz MNDWHYBSTLKTOI-AYDFFVQHSA-N 2 2 347.463 1.184 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000332527010 141196631 /nfs/dbraw/zinc/19/66/31/141196631.db2.gz NXNGMYZRZJHAON-OIISXLGYSA-N 2 2 331.464 1.740 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000332533985 141198105 /nfs/dbraw/zinc/19/81/05/141198105.db2.gz IEIOBVJRCNBVFA-AWEZNQCLSA-N 2 2 333.436 1.572 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333478987 141324195 /nfs/dbraw/zinc/32/41/95/141324195.db2.gz BEZVUXAEQWUKDU-PMPSAXMXSA-N 2 2 331.464 1.792 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCCCC1 ZINC000333486596 141325022 /nfs/dbraw/zinc/32/50/22/141325022.db2.gz CTQWEIPPRHLLNL-DLBZAZTESA-N 2 2 338.496 1.400 20 0 EDADLP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333538956 141333578 /nfs/dbraw/zinc/33/35/78/141333578.db2.gz JABQAPZQAJYCEC-CVEARBPZSA-N 2 2 331.464 1.934 20 0 EDADLP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000333871456 141398700 /nfs/dbraw/zinc/39/87/00/141398700.db2.gz URANCKFDWHLJCS-CQSZACIVSA-N 2 2 337.493 1.503 20 0 EDADLP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000333871456 141398703 /nfs/dbraw/zinc/39/87/03/141398703.db2.gz URANCKFDWHLJCS-CQSZACIVSA-N 2 2 337.493 1.503 20 0 EDADLP O[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)[C@H]1CCOC1 ZINC000337599167 141626964 /nfs/dbraw/zinc/62/69/64/141626964.db2.gz HZJUIEAGOLOXBM-FZMZJTMJSA-N 2 2 326.360 1.020 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC000339312629 142010763 /nfs/dbraw/zinc/01/07/63/142010763.db2.gz CKJATUSHNWXXDS-UHFFFAOYSA-N 2 2 349.450 1.281 20 0 EDADLP Cc1ccncc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339477795 142055999 /nfs/dbraw/zinc/05/59/99/142055999.db2.gz OIVZROWLXXIPJO-SJPCQFCGSA-N 2 2 328.460 1.773 20 0 EDADLP Cc1ccncc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000339477795 142056000 /nfs/dbraw/zinc/05/60/00/142056000.db2.gz OIVZROWLXXIPJO-SJPCQFCGSA-N 2 2 328.460 1.773 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000340184129 142295333 /nfs/dbraw/zinc/29/53/33/142295333.db2.gz PXQQRXFVIHWFHI-UKRRQHHQSA-N 2 2 334.493 1.571 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](c2cccnc2)C2CC2)CC1 ZINC000340249254 142319139 /nfs/dbraw/zinc/31/91/39/142319139.db2.gz JVLYYGZLVITBNO-SFHVURJKSA-N 2 2 345.491 1.858 20 0 EDADLP COC(=O)c1cccc(OCC[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000340705867 142463003 /nfs/dbraw/zinc/46/30/03/142463003.db2.gz BTWWVOHUYGTUAB-UHFFFAOYSA-N 2 2 344.415 1.408 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000345392685 143085791 /nfs/dbraw/zinc/08/57/91/143085791.db2.gz ODWOCAICBSPWPS-PMPSAXMXSA-N 2 2 340.512 1.467 20 0 EDADLP C[C@H](CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCCCC1 ZINC000345496844 143098445 /nfs/dbraw/zinc/09/84/45/143098445.db2.gz JZKDMEUOIPFRSL-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H](CCNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCCCC1 ZINC000345496844 143098446 /nfs/dbraw/zinc/09/84/46/143098446.db2.gz JZKDMEUOIPFRSL-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]2CCOCC2)c1 ZINC000345690841 143121910 /nfs/dbraw/zinc/12/19/10/143121910.db2.gz CGKATWWMTUDZNY-CABCVRRESA-N 2 2 341.402 1.467 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000345698400 143122897 /nfs/dbraw/zinc/12/28/97/143122897.db2.gz FBPNJAKTPRRMRR-CQSZACIVSA-N 2 2 347.463 1.785 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000345698400 143122898 /nfs/dbraw/zinc/12/28/98/143122898.db2.gz FBPNJAKTPRRMRR-CQSZACIVSA-N 2 2 347.463 1.785 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccccc1F ZINC000345699685 143123002 /nfs/dbraw/zinc/12/30/02/143123002.db2.gz UMSXZZDNFJWWRS-YPMHNXCESA-N 2 2 326.322 1.747 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000346219908 143180244 /nfs/dbraw/zinc/18/02/44/143180244.db2.gz NKVVQZPNDZUGTE-KRWDZBQOSA-N 3 2 341.459 1.730 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000346219908 143180245 /nfs/dbraw/zinc/18/02/45/143180245.db2.gz NKVVQZPNDZUGTE-KRWDZBQOSA-N 3 2 341.459 1.730 20 0 EDADLP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000346224425 143180692 /nfs/dbraw/zinc/18/06/92/143180692.db2.gz SFRBIIXNZXDZEH-QZTJIDSGSA-N 2 2 329.444 1.194 20 0 EDADLP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000346224425 143180693 /nfs/dbraw/zinc/18/06/93/143180693.db2.gz SFRBIIXNZXDZEH-QZTJIDSGSA-N 2 2 329.444 1.194 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000346234222 143181734 /nfs/dbraw/zinc/18/17/34/143181734.db2.gz JMIZHYVPWBAKJS-INIZCTEOSA-N 2 2 336.480 1.966 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000346234222 143181735 /nfs/dbraw/zinc/18/17/35/143181735.db2.gz JMIZHYVPWBAKJS-INIZCTEOSA-N 2 2 336.480 1.966 20 0 EDADLP CCC[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000346286280 143187107 /nfs/dbraw/zinc/18/71/07/143187107.db2.gz CJNSKHRJSCVYEQ-UHFFFAOYSA-N 2 2 345.487 1.998 20 0 EDADLP CCC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000346286280 143187108 /nfs/dbraw/zinc/18/71/08/143187108.db2.gz CJNSKHRJSCVYEQ-UHFFFAOYSA-N 2 2 345.487 1.998 20 0 EDADLP CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000346379683 143198899 /nfs/dbraw/zinc/19/88/99/143198899.db2.gz IQADFPMTOUOPBB-VEHMJYNQSA-N 2 2 349.519 1.817 20 0 EDADLP CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000346379683 143198900 /nfs/dbraw/zinc/19/89/00/143198900.db2.gz IQADFPMTOUOPBB-VEHMJYNQSA-N 2 2 349.519 1.817 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[N@H+](C)CCCN2CCOCC2)CCC[NH+]1C ZINC000346924073 143261740 /nfs/dbraw/zinc/26/17/40/143261740.db2.gz LRUCXDODMJMCFZ-MJGOQNOKSA-N 2 2 349.523 1.457 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[N@@H+](C)CCCN2CCOCC2)CCC[NH+]1C ZINC000346924073 143261741 /nfs/dbraw/zinc/26/17/41/143261741.db2.gz LRUCXDODMJMCFZ-MJGOQNOKSA-N 2 2 349.523 1.457 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH+](C)CCCN2CCOCC2)CCC[N@@H+]1C ZINC000346924073 143261742 /nfs/dbraw/zinc/26/17/42/143261742.db2.gz LRUCXDODMJMCFZ-MJGOQNOKSA-N 2 2 349.523 1.457 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH+](C)CCCN2CCOCC2)CCC[N@H+]1C ZINC000346924073 143261743 /nfs/dbraw/zinc/26/17/43/143261743.db2.gz LRUCXDODMJMCFZ-MJGOQNOKSA-N 2 2 349.523 1.457 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000347034253 143274308 /nfs/dbraw/zinc/27/43/08/143274308.db2.gz CMQAEXSJBLSWTQ-BHIYHBOVSA-N 3 2 332.492 1.338 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000347034253 143274309 /nfs/dbraw/zinc/27/43/09/143274309.db2.gz CMQAEXSJBLSWTQ-BHIYHBOVSA-N 3 2 332.492 1.338 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc(-c2ccccc2)s1 ZINC000347173475 143290891 /nfs/dbraw/zinc/29/08/91/143290891.db2.gz OVRZIKKFZZRFBN-UHFFFAOYSA-N 2 2 330.457 1.674 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc(-c2ccccc2)s1 ZINC000347173475 143290892 /nfs/dbraw/zinc/29/08/92/143290892.db2.gz OVRZIKKFZZRFBN-UHFFFAOYSA-N 2 2 330.457 1.674 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000572839886 306600568 /nfs/dbraw/zinc/60/05/68/306600568.db2.gz APNDQYMSMHJVBQ-ARFHVFGLSA-N 2 2 325.497 1.770 20 0 EDADLP COCc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1F ZINC000572953605 306604978 /nfs/dbraw/zinc/60/49/78/306604978.db2.gz MMTRKZKHKUHJOC-CPUCHLNUSA-N 2 2 340.439 1.532 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000369704059 155141316 /nfs/dbraw/zinc/14/13/16/155141316.db2.gz XKUFPRBRGDUODC-INIZCTEOSA-N 2 2 347.507 1.432 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C1 ZINC000369704059 155141317 /nfs/dbraw/zinc/14/13/17/155141317.db2.gz XKUFPRBRGDUODC-INIZCTEOSA-N 2 2 347.507 1.432 20 0 EDADLP Cc1ccc([C@H](O)C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000369782013 155175066 /nfs/dbraw/zinc/17/50/66/155175066.db2.gz KOWYUKRYFSKRHF-DFQSSKMNSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccc([C@H](O)C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000369782013 155175069 /nfs/dbraw/zinc/17/50/69/155175069.db2.gz KOWYUKRYFSKRHF-DFQSSKMNSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccc([C@H](O)C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000369782013 155175073 /nfs/dbraw/zinc/17/50/73/155175073.db2.gz KOWYUKRYFSKRHF-DFQSSKMNSA-N 2 2 347.503 1.365 20 0 EDADLP CCN1CCN(C(=O)NCCC[NH+](CC)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000369811087 155186153 /nfs/dbraw/zinc/18/61/53/155186153.db2.gz RWAAWJCZEOHZFX-HNNXBMFYSA-N 2 2 336.484 1.530 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+]([C@@H](CC)C(=O)OCC)CC2)CC1 ZINC000369824549 155192258 /nfs/dbraw/zinc/19/22/58/155192258.db2.gz NDEJMEIHHZKLSB-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)[C@@H](C)C1 ZINC000246366549 286063584 /nfs/dbraw/zinc/06/35/84/286063584.db2.gz IYRVQDMIPCFAJZ-XHSDSOJGSA-N 2 2 332.510 1.290 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)[C@@H](C)C1 ZINC000246366549 286063585 /nfs/dbraw/zinc/06/35/85/286063585.db2.gz IYRVQDMIPCFAJZ-XHSDSOJGSA-N 2 2 332.510 1.290 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCC[N@@H+]1CCOC[C@H]1C ZINC000352638879 149097292 /nfs/dbraw/zinc/09/72/92/149097292.db2.gz XPHRDZIDZVHIJV-CQSZACIVSA-N 2 2 343.427 1.966 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCC[N@H+]1CCOC[C@H]1C ZINC000352638879 149097295 /nfs/dbraw/zinc/09/72/95/149097295.db2.gz XPHRDZIDZVHIJV-CQSZACIVSA-N 2 2 343.427 1.966 20 0 EDADLP CC[NH+]1CCN(CC(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000352766332 149156752 /nfs/dbraw/zinc/15/67/52/149156752.db2.gz BUTANGALKYETIJ-SFHVURJKSA-N 2 2 341.459 1.595 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000352855493 149192119 /nfs/dbraw/zinc/19/21/19/149192119.db2.gz YKUWLYRDVKDMBQ-MRXNPFEDSA-N 2 2 344.459 1.698 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000352896283 149207418 /nfs/dbraw/zinc/20/74/18/149207418.db2.gz ABXPPQHHWKFCGF-XYJFISCASA-N 2 2 348.491 1.698 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000352896283 149207419 /nfs/dbraw/zinc/20/74/19/149207419.db2.gz ABXPPQHHWKFCGF-XYJFISCASA-N 2 2 348.491 1.698 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000353025214 149258188 /nfs/dbraw/zinc/25/81/88/149258188.db2.gz QYSZBQMQYPVEFS-INIZCTEOSA-N 2 2 343.512 1.301 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000353174712 149312931 /nfs/dbraw/zinc/31/29/31/149312931.db2.gz FGMDDWPBSBKQNV-FQEVSTJZSA-N 3 2 340.471 1.874 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000353174712 149312934 /nfs/dbraw/zinc/31/29/34/149312934.db2.gz FGMDDWPBSBKQNV-FQEVSTJZSA-N 3 2 340.471 1.874 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000353207616 149324611 /nfs/dbraw/zinc/32/46/11/149324611.db2.gz JCNXEJCVRRSMNR-GFCCVEGCSA-N 2 2 344.419 1.254 20 0 EDADLP c1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000353264709 149345182 /nfs/dbraw/zinc/34/51/82/149345182.db2.gz LLYAUCSSNNZEQL-MRXNPFEDSA-N 2 2 331.464 1.625 20 0 EDADLP CC(C)Cn1cc(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354872004 150004863 /nfs/dbraw/zinc/00/48/63/150004863.db2.gz OZMVQGHLSKRONB-SJORKVTESA-N 2 2 348.470 1.975 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000416978535 304360207 /nfs/dbraw/zinc/36/02/07/304360207.db2.gz VOQLPEDOMIIBTP-HNNXBMFYSA-N 2 2 335.452 1.235 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+]Cc1cn2ccccc2n1 ZINC000354903654 150022892 /nfs/dbraw/zinc/02/28/92/150022892.db2.gz YXYAYRNZIOIVSD-GDBMZVCRSA-N 2 2 342.422 1.770 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000354905115 150023904 /nfs/dbraw/zinc/02/39/04/150023904.db2.gz KEVDOGNINMBANP-HFBAOOFYSA-N 2 2 340.418 1.959 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000354905115 150023910 /nfs/dbraw/zinc/02/39/10/150023910.db2.gz KEVDOGNINMBANP-HFBAOOFYSA-N 2 2 340.418 1.959 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000354914813 150028878 /nfs/dbraw/zinc/02/88/78/150028878.db2.gz QVBCGLGWYBREED-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000354914813 150028881 /nfs/dbraw/zinc/02/88/81/150028881.db2.gz QVBCGLGWYBREED-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000354914813 150028885 /nfs/dbraw/zinc/02/88/85/150028885.db2.gz QVBCGLGWYBREED-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000354914813 150028886 /nfs/dbraw/zinc/02/88/86/150028886.db2.gz QVBCGLGWYBREED-HOTGVXAUSA-N 2 2 339.480 1.252 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000355785449 150399910 /nfs/dbraw/zinc/39/99/10/150399910.db2.gz LAYNGCDSEFIWNE-MRXNPFEDSA-N 2 2 328.501 1.467 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000357468758 151040606 /nfs/dbraw/zinc/04/06/06/151040606.db2.gz NXYJKFOFBRFARF-ZIAGYGMSSA-N 2 2 327.469 1.249 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000357468758 151040607 /nfs/dbraw/zinc/04/06/07/151040607.db2.gz NXYJKFOFBRFARF-ZIAGYGMSSA-N 2 2 327.469 1.249 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000357467919 151040749 /nfs/dbraw/zinc/04/07/49/151040749.db2.gz BPVFZTRPUNRDOB-YESZJQIVSA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000357467919 151040751 /nfs/dbraw/zinc/04/07/51/151040751.db2.gz BPVFZTRPUNRDOB-YESZJQIVSA-N 2 2 341.496 1.055 20 0 EDADLP CC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H](C)O ZINC000357627288 151090932 /nfs/dbraw/zinc/09/09/32/151090932.db2.gz AIUUENHBVZGKQD-JKSUJKDBSA-N 2 2 325.497 1.460 20 0 EDADLP CN(C)c1nc(N(C)C[C@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)cc[nH+]1 ZINC000357684134 151115110 /nfs/dbraw/zinc/11/51/10/151115110.db2.gz WCMCANQVZBTGSD-LSDHHAIUSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N(C)C[C@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)cc[nH+]1 ZINC000357684134 151115112 /nfs/dbraw/zinc/11/51/12/151115112.db2.gz WCMCANQVZBTGSD-LSDHHAIUSA-N 2 2 347.442 1.325 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000358260690 151320201 /nfs/dbraw/zinc/32/02/01/151320201.db2.gz VPYUMNZJXFBLNY-IBGZPJMESA-N 3 2 335.467 1.489 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000358260690 151320204 /nfs/dbraw/zinc/32/02/04/151320204.db2.gz VPYUMNZJXFBLNY-IBGZPJMESA-N 3 2 335.467 1.489 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000358313156 151333724 /nfs/dbraw/zinc/33/37/24/151333724.db2.gz NGFVTRYBEROIRV-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000358313156 151333726 /nfs/dbraw/zinc/33/37/26/151333726.db2.gz NGFVTRYBEROIRV-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@@H]([NH+]4CCCC4)C3)nc(N)c2cc1OC ZINC000078617631 286262909 /nfs/dbraw/zinc/26/29/09/286262909.db2.gz FBZLBGSFANUTSB-GFCCVEGCSA-N 2 2 343.431 1.904 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360561997 152097692 /nfs/dbraw/zinc/09/76/92/152097692.db2.gz KJAXMPXGLJCKNV-HXUWFJFHSA-N 2 2 345.487 1.913 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360561997 152097694 /nfs/dbraw/zinc/09/76/94/152097694.db2.gz KJAXMPXGLJCKNV-HXUWFJFHSA-N 2 2 345.487 1.913 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000370128055 155339285 /nfs/dbraw/zinc/33/92/85/155339285.db2.gz CSSFCGKNGJTLHZ-CVEARBPZSA-N 2 2 342.447 1.939 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n(C)c1C ZINC000360953103 152262329 /nfs/dbraw/zinc/26/23/29/152262329.db2.gz FLIOKRDDZPNQEU-OKILXGFUSA-N 2 2 337.464 1.709 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n(C)c1C ZINC000360953103 152262334 /nfs/dbraw/zinc/26/23/34/152262334.db2.gz FLIOKRDDZPNQEU-OKILXGFUSA-N 2 2 337.464 1.709 20 0 EDADLP COc1ccc(F)cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360973889 152266934 /nfs/dbraw/zinc/26/69/34/152266934.db2.gz GIGFKWIUAVBZIV-INIZCTEOSA-N 2 2 337.439 1.867 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1 ZINC000361106192 152307908 /nfs/dbraw/zinc/30/79/08/152307908.db2.gz DRGBLUCGYHHFBN-RHSMWYFYSA-N 2 2 345.491 1.213 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccnc1N1CCC(C(N)=O)CC1 ZINC000361106192 152307910 /nfs/dbraw/zinc/30/79/10/152307910.db2.gz DRGBLUCGYHHFBN-RHSMWYFYSA-N 2 2 345.491 1.213 20 0 EDADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC000361183911 152328498 /nfs/dbraw/zinc/32/84/98/152328498.db2.gz GLUUOBGQLPFEJR-QGZVFWFLSA-N 3 2 331.508 1.272 20 0 EDADLP C[C@H]1C[N@H+](Cc2cn(C)nc2C(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361190749 152330026 /nfs/dbraw/zinc/33/00/26/152330026.db2.gz PYUVHUZRPCMYSS-ZFWWWQNUSA-N 2 2 341.450 1.816 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cn(C)nc2C(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361190749 152330028 /nfs/dbraw/zinc/33/00/28/152330028.db2.gz PYUVHUZRPCMYSS-ZFWWWQNUSA-N 2 2 341.450 1.816 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc([S@](C)=O)cc1 ZINC000361218093 152338842 /nfs/dbraw/zinc/33/88/42/152338842.db2.gz WGQAZQBTRQQZQT-BSGVFPLJSA-N 2 2 337.489 1.414 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc([S@](C)=O)cc1 ZINC000361218093 152338844 /nfs/dbraw/zinc/33/88/44/152338844.db2.gz WGQAZQBTRQQZQT-BSGVFPLJSA-N 2 2 337.489 1.414 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361351277 152368596 /nfs/dbraw/zinc/36/85/96/152368596.db2.gz KWWMOKLQTGDKRM-FQEVSTJZSA-N 3 2 346.519 1.873 20 0 EDADLP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000361351277 152368598 /nfs/dbraw/zinc/36/85/98/152368598.db2.gz KWWMOKLQTGDKRM-FQEVSTJZSA-N 3 2 346.519 1.873 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000417175697 304380281 /nfs/dbraw/zinc/38/02/81/304380281.db2.gz JUKJYNOCYKISNP-IAGOWNOFSA-N 2 2 332.448 1.111 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000363559495 153000830 /nfs/dbraw/zinc/00/08/30/153000830.db2.gz DJLLONUQBDJHKI-CYBMUJFWSA-N 2 2 327.388 1.937 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000363559495 153000831 /nfs/dbraw/zinc/00/08/31/153000831.db2.gz DJLLONUQBDJHKI-CYBMUJFWSA-N 2 2 327.388 1.937 20 0 EDADLP CCOC(=O)C1(NC(=O)c2ccc3[nH+]ccn3c2)CC[NH+](C)CC1 ZINC000363703803 153034351 /nfs/dbraw/zinc/03/43/51/153034351.db2.gz GKQMISPEYMMXJP-UHFFFAOYSA-N 2 2 330.388 1.092 20 0 EDADLP CC1CC[NH+](CCNC(=O)N(C)C[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000364163478 153160587 /nfs/dbraw/zinc/16/05/87/153160587.db2.gz YONDHJIAVUNKFI-MRXNPFEDSA-N 2 2 333.480 1.819 20 0 EDADLP CCc1ccc(OCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364207292 153173925 /nfs/dbraw/zinc/17/39/25/153173925.db2.gz NSBOELKQKPAUJZ-KRWDZBQOSA-N 2 2 345.487 1.913 20 0 EDADLP CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364207292 153173928 /nfs/dbraw/zinc/17/39/28/153173928.db2.gz NSBOELKQKPAUJZ-KRWDZBQOSA-N 2 2 345.487 1.913 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCCC3CCOCC3)CCO2)CC1 ZINC000364233749 153181324 /nfs/dbraw/zinc/18/13/24/153181324.db2.gz AGHOTMSWFZNLND-SFHVURJKSA-N 2 2 325.497 1.141 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCCC3CCOCC3)CCO2)CC1 ZINC000364233749 153181325 /nfs/dbraw/zinc/18/13/25/153181325.db2.gz AGHOTMSWFZNLND-SFHVURJKSA-N 2 2 325.497 1.141 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000364309622 153202732 /nfs/dbraw/zinc/20/27/32/153202732.db2.gz QXBTYQVYTZWVFT-SFHVURJKSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000364309622 153202734 /nfs/dbraw/zinc/20/27/34/153202734.db2.gz QXBTYQVYTZWVFT-SFHVURJKSA-N 2 2 335.492 1.717 20 0 EDADLP CSCCCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000364340857 153210425 /nfs/dbraw/zinc/21/04/25/153210425.db2.gz HMFYFJJFVUYICM-UHFFFAOYSA-N 2 2 329.554 1.906 20 0 EDADLP CSCCCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000364340857 153210426 /nfs/dbraw/zinc/21/04/26/153210426.db2.gz HMFYFJJFVUYICM-UHFFFAOYSA-N 2 2 329.554 1.906 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)C2 ZINC000364528003 153259814 /nfs/dbraw/zinc/25/98/14/153259814.db2.gz HJNNCQUKMWEZNN-CABCVRRESA-N 2 2 348.491 1.723 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCOCC1)CC2 ZINC000364528003 153259815 /nfs/dbraw/zinc/25/98/15/153259815.db2.gz HJNNCQUKMWEZNN-CABCVRRESA-N 2 2 348.491 1.723 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364531646 153260176 /nfs/dbraw/zinc/26/01/76/153260176.db2.gz QEUGPIPGNOGKSC-AWEZNQCLSA-N 2 2 336.480 1.723 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364531646 153260178 /nfs/dbraw/zinc/26/01/78/153260178.db2.gz QEUGPIPGNOGKSC-AWEZNQCLSA-N 2 2 336.480 1.723 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364531646 153260181 /nfs/dbraw/zinc/26/01/81/153260181.db2.gz QEUGPIPGNOGKSC-AWEZNQCLSA-N 2 2 336.480 1.723 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364531646 153260186 /nfs/dbraw/zinc/26/01/86/153260186.db2.gz QEUGPIPGNOGKSC-AWEZNQCLSA-N 2 2 336.480 1.723 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000364734492 153318189 /nfs/dbraw/zinc/31/81/89/153318189.db2.gz LANLDMVPDJTAJC-ZSZQSSIHSA-N 2 2 342.443 1.526 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364959194 153383555 /nfs/dbraw/zinc/38/35/55/153383555.db2.gz PAJNKBJLCIOHNS-IAOVAPTHSA-N 2 2 330.432 1.727 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364959194 153383557 /nfs/dbraw/zinc/38/35/57/153383557.db2.gz PAJNKBJLCIOHNS-IAOVAPTHSA-N 2 2 330.432 1.727 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417264689 304388526 /nfs/dbraw/zinc/38/85/26/304388526.db2.gz AKAQOPKZQLSOGK-KRWDZBQOSA-N 2 2 349.385 1.854 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000367128467 154017283 /nfs/dbraw/zinc/01/72/83/154017283.db2.gz BFUKIQZYNRXZCP-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH+]2CCCC[C@@H]2CO1 ZINC000367128467 154017285 /nfs/dbraw/zinc/01/72/85/154017285.db2.gz BFUKIQZYNRXZCP-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000367128467 154017287 /nfs/dbraw/zinc/01/72/87/154017287.db2.gz BFUKIQZYNRXZCP-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000367128467 154017290 /nfs/dbraw/zinc/01/72/90/154017290.db2.gz BFUKIQZYNRXZCP-IKGGRYGDSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1cc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000367308587 154073930 /nfs/dbraw/zinc/07/39/30/154073930.db2.gz DXPMYHMNSHWPTJ-MRXNPFEDSA-N 2 2 332.448 1.839 20 0 EDADLP O=C1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H](C2CC2)N1 ZINC000367436813 154122493 /nfs/dbraw/zinc/12/24/93/154122493.db2.gz HGRAAKQUPLKBJG-HKUYNNGSSA-N 2 2 328.460 1.693 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)NCC[N@H+](C)CC)C1CCOCC1 ZINC000367482450 154142950 /nfs/dbraw/zinc/14/29/50/154142950.db2.gz FFTBOGAFMYHKOK-OAHLLOKOSA-N 2 2 337.468 1.622 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)NCC[N@@H+](C)CC)C1CCOCC1 ZINC000367482450 154142954 /nfs/dbraw/zinc/14/29/54/154142954.db2.gz FFTBOGAFMYHKOK-OAHLLOKOSA-N 2 2 337.468 1.622 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000367901090 154317592 /nfs/dbraw/zinc/31/75/92/154317592.db2.gz IHWVAXFSZXYWMI-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000367898787 154318245 /nfs/dbraw/zinc/31/82/45/154318245.db2.gz AVMRWZJLVWYSAB-KGLIPLIRSA-N 2 2 336.480 1.101 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3cc[nH+]c(C)n3)CC1)C2 ZINC000367955350 154342900 /nfs/dbraw/zinc/34/29/00/154342900.db2.gz IBTWZLLUXIVBNN-OAHLLOKOSA-N 2 2 340.431 1.201 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCC(=O)c3ccc(F)cc3)CCO2)CC1 ZINC000369443585 155036628 /nfs/dbraw/zinc/03/66/28/155036628.db2.gz PVUJYGVHYWJJQK-GOSISDBHSA-N 2 2 349.450 1.347 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCC(=O)c3ccc(F)cc3)CCO2)CC1 ZINC000369443585 155036631 /nfs/dbraw/zinc/03/66/31/155036631.db2.gz PVUJYGVHYWJJQK-GOSISDBHSA-N 2 2 349.450 1.347 20 0 EDADLP Cn1c(Cl)cnc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000369512663 155066461 /nfs/dbraw/zinc/06/64/61/155066461.db2.gz UKBNFROLMRJWEV-UHFFFAOYSA-N 2 2 325.888 1.533 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600756 155105622 /nfs/dbraw/zinc/10/56/22/155105622.db2.gz VHVHDKKVDGZNBP-FHLIZLRMSA-N 2 2 349.425 1.997 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600756 155105625 /nfs/dbraw/zinc/10/56/25/155105625.db2.gz VHVHDKKVDGZNBP-FHLIZLRMSA-N 2 2 349.425 1.997 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600756 155105627 /nfs/dbraw/zinc/10/56/27/155105627.db2.gz VHVHDKKVDGZNBP-FHLIZLRMSA-N 2 2 349.425 1.997 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)NCc1cc(F)cc(F)c1 ZINC000369600756 155105632 /nfs/dbraw/zinc/10/56/32/155105632.db2.gz VHVHDKKVDGZNBP-FHLIZLRMSA-N 2 2 349.425 1.997 20 0 EDADLP C[N@H+](CCCN1CCOCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000369655490 155121466 /nfs/dbraw/zinc/12/14/66/155121466.db2.gz OSLKGNHMSLOEKQ-UHFFFAOYSA-N 2 2 346.519 1.743 20 0 EDADLP C[N@@H+](CCCN1CCOCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000369655490 155121467 /nfs/dbraw/zinc/12/14/67/155121467.db2.gz OSLKGNHMSLOEKQ-UHFFFAOYSA-N 2 2 346.519 1.743 20 0 EDADLP CSCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372185279 156260818 /nfs/dbraw/zinc/26/08/18/156260818.db2.gz JFALGPPZZZEWKO-OAHLLOKOSA-N 2 2 328.526 1.549 20 0 EDADLP CSCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372185279 156260820 /nfs/dbraw/zinc/26/08/20/156260820.db2.gz JFALGPPZZZEWKO-OAHLLOKOSA-N 2 2 328.526 1.549 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000372245608 156286822 /nfs/dbraw/zinc/28/68/22/156286822.db2.gz SWMJJAFKADXVKJ-HUUCEWRRSA-N 2 2 335.452 1.089 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000372245608 156286824 /nfs/dbraw/zinc/28/68/24/156286824.db2.gz SWMJJAFKADXVKJ-HUUCEWRRSA-N 2 2 335.452 1.089 20 0 EDADLP CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000372308614 156324211 /nfs/dbraw/zinc/32/42/11/156324211.db2.gz ROUAPIZUYBMQOY-BHYGNILZSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000372308614 156324213 /nfs/dbraw/zinc/32/42/13/156324213.db2.gz ROUAPIZUYBMQOY-BHYGNILZSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nc(C2CC2)[nH+]1 ZINC000372414685 156377703 /nfs/dbraw/zinc/37/77/03/156377703.db2.gz ADWJPYSYSPSTTD-HNNXBMFYSA-N 2 2 329.448 1.581 20 0 EDADLP Cc1cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)nc(C2CC2)[nH+]1 ZINC000372414685 156377707 /nfs/dbraw/zinc/37/77/07/156377707.db2.gz ADWJPYSYSPSTTD-HNNXBMFYSA-N 2 2 329.448 1.581 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000372448748 156395248 /nfs/dbraw/zinc/39/52/48/156395248.db2.gz BKMTUAXCKAXGRN-MRXNPFEDSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373904515 157057085 /nfs/dbraw/zinc/05/70/85/157057085.db2.gz IDZFXPOPGKUJFS-INIZCTEOSA-N 3 2 348.535 1.488 20 0 EDADLP C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373904515 157057090 /nfs/dbraw/zinc/05/70/90/157057090.db2.gz IDZFXPOPGKUJFS-INIZCTEOSA-N 3 2 348.535 1.488 20 0 EDADLP C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373904516 157059137 /nfs/dbraw/zinc/05/91/37/157059137.db2.gz IDZFXPOPGKUJFS-MRXNPFEDSA-N 3 2 348.535 1.488 20 0 EDADLP C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373904516 157059141 /nfs/dbraw/zinc/05/91/41/157059141.db2.gz IDZFXPOPGKUJFS-MRXNPFEDSA-N 3 2 348.535 1.488 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373931856 157071418 /nfs/dbraw/zinc/07/14/18/157071418.db2.gz DQYCZJSBZXKAKB-SJORKVTESA-N 2 2 343.475 1.976 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373931856 157071425 /nfs/dbraw/zinc/07/14/25/157071425.db2.gz DQYCZJSBZXKAKB-SJORKVTESA-N 2 2 343.475 1.976 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000374268780 157222162 /nfs/dbraw/zinc/22/21/62/157222162.db2.gz HLDNHSASBGIPII-HNNXBMFYSA-N 2 2 345.447 1.241 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000374268780 157222167 /nfs/dbraw/zinc/22/21/67/157222167.db2.gz HLDNHSASBGIPII-HNNXBMFYSA-N 2 2 345.447 1.241 20 0 EDADLP COCc1noc([C@H](C)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000374602207 157342039 /nfs/dbraw/zinc/34/20/39/157342039.db2.gz HKVFDBCTPJBAAM-DZGCQCFKSA-N 2 2 337.468 1.377 20 0 EDADLP COCc1noc([C@H](C)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000374602207 157342043 /nfs/dbraw/zinc/34/20/43/157342043.db2.gz HKVFDBCTPJBAAM-DZGCQCFKSA-N 2 2 337.468 1.377 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000378265009 158123413 /nfs/dbraw/zinc/12/34/13/158123413.db2.gz SVYRNYHJHQVMKX-GDBMZVCRSA-N 2 2 334.464 1.529 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000378613350 158219807 /nfs/dbraw/zinc/21/98/07/158219807.db2.gz XWDWZXSUSCKIGQ-WMLDXEAASA-N 2 2 334.464 1.259 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000378613350 158219808 /nfs/dbraw/zinc/21/98/08/158219808.db2.gz XWDWZXSUSCKIGQ-WMLDXEAASA-N 2 2 334.464 1.259 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1Cl)C[NH+]1CCOCC1 ZINC000576150339 306679249 /nfs/dbraw/zinc/67/92/49/306679249.db2.gz NYPIUCANOHZPMN-CABCVRRESA-N 2 2 342.867 1.638 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCOC1 ZINC000352204222 162048755 /nfs/dbraw/zinc/04/87/55/162048755.db2.gz WYDPFDXIADVIFY-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCOC1 ZINC000352204222 162048759 /nfs/dbraw/zinc/04/87/59/162048759.db2.gz WYDPFDXIADVIFY-INIZCTEOSA-N 2 2 332.448 1.231 20 0 EDADLP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352477536 162203246 /nfs/dbraw/zinc/20/32/46/162203246.db2.gz MROCQLIXYNELSO-OALUTQOASA-N 2 2 344.503 1.576 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352503080 162216375 /nfs/dbraw/zinc/21/63/75/162216375.db2.gz BNHOSZRFJIAXGH-XJKSGUPXSA-N 2 2 336.867 1.647 20 0 EDADLP CCC[C@H](NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352512144 162221581 /nfs/dbraw/zinc/22/15/81/162221581.db2.gz VZUHZUIZZSACCQ-MOPGFXCFSA-N 2 2 344.503 1.624 20 0 EDADLP C[N@H+](CC(=O)N1CCSc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357652166 162286920 /nfs/dbraw/zinc/28/69/20/162286920.db2.gz UQKSZKMIXGZKON-UHFFFAOYSA-N 2 2 349.500 1.514 20 0 EDADLP C[N@@H+](CC(=O)N1CCSc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357652166 162286922 /nfs/dbraw/zinc/28/69/22/162286922.db2.gz UQKSZKMIXGZKON-UHFFFAOYSA-N 2 2 349.500 1.514 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC([NH+]2CCCC2)CC1 ZINC000366463153 162385368 /nfs/dbraw/zinc/38/53/68/162385368.db2.gz QGFXJCBNWSPFJP-KRWDZBQOSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC([NH+]2CCCC2)CC1 ZINC000366463153 162385372 /nfs/dbraw/zinc/38/53/72/162385372.db2.gz QGFXJCBNWSPFJP-KRWDZBQOSA-N 2 2 336.480 1.119 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000074110296 287268031 /nfs/dbraw/zinc/26/80/31/287268031.db2.gz RURQPBQDAUAMKD-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000079733879 287302749 /nfs/dbraw/zinc/30/27/49/287302749.db2.gz SLTHTKIIKPGHSL-SJLPKXTDSA-N 2 2 348.491 1.179 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095042 287311400 /nfs/dbraw/zinc/31/14/00/287311400.db2.gz OMNHYFKPHUNCSV-SJLPKXTDSA-N 3 2 338.540 1.638 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095042 287311402 /nfs/dbraw/zinc/31/14/02/287311402.db2.gz OMNHYFKPHUNCSV-SJLPKXTDSA-N 3 2 338.540 1.638 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095042 287311403 /nfs/dbraw/zinc/31/14/03/287311403.db2.gz OMNHYFKPHUNCSV-SJLPKXTDSA-N 3 2 338.540 1.638 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095042 287311408 /nfs/dbraw/zinc/31/14/08/287311408.db2.gz OMNHYFKPHUNCSV-SJLPKXTDSA-N 3 2 338.540 1.638 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000115546483 287345018 /nfs/dbraw/zinc/34/50/18/287345018.db2.gz KTESZRBRTPXNGN-GOSISDBHSA-N 2 2 336.476 1.513 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000115546483 287345020 /nfs/dbraw/zinc/34/50/20/287345020.db2.gz KTESZRBRTPXNGN-GOSISDBHSA-N 2 2 336.476 1.513 20 0 EDADLP C[NH+]1CCC[C@@H](CNc2cc(NC[C@H]3CCC[N@@H+](C)C3)nc[nH+]2)C1 ZINC000124229478 222394929 /nfs/dbraw/zinc/39/49/29/222394929.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 3 2 332.496 1.984 20 0 EDADLP C[NH+]1CCC[C@@H](CNc2cc(NC[C@H]3CCC[N@H+](C)C3)nc[nH+]2)C1 ZINC000124229478 222394934 /nfs/dbraw/zinc/39/49/34/222394934.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 3 2 332.496 1.984 20 0 EDADLP C[NH+]1CCC[C@H](CNc2cc(NC[C@@H]3CCC[N@H+](C)C3)[nH+]cn2)C1 ZINC000124229478 222394936 /nfs/dbraw/zinc/39/49/36/222394936.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 3 2 332.496 1.984 20 0 EDADLP C[NH+]1CCC[C@H](CNc2cc(NC[C@@H]3CCC[N@@H+](C)C3)[nH+]cn2)C1 ZINC000124229478 222394939 /nfs/dbraw/zinc/39/49/39/222394939.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 3 2 332.496 1.984 20 0 EDADLP C[NH+]1CCC[C@H](CNc2cc(NC[C@@H]3CCC[N@@H+](C)C3)nc[nH+]2)C1 ZINC000124229478 222394942 /nfs/dbraw/zinc/39/49/42/222394942.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 3 2 332.496 1.984 20 0 EDADLP C[NH+]1CCC[C@H](CNc2cc(NC[C@@H]3CCC[N@H+](C)C3)nc[nH+]2)C1 ZINC000124229478 222394946 /nfs/dbraw/zinc/39/49/46/222394946.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 3 2 332.496 1.984 20 0 EDADLP C[NH+]1CCC[C@@H](CNc2cc(NC[C@H]3CCC[N@H+](C)C3)[nH+]cn2)C1 ZINC000124229478 222394949 /nfs/dbraw/zinc/39/49/49/222394949.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 3 2 332.496 1.984 20 0 EDADLP C[NH+]1CCC[C@@H](CNc2cc(NC[C@H]3CCC[N@@H+](C)C3)[nH+]cn2)C1 ZINC000124229478 222394950 /nfs/dbraw/zinc/39/49/50/222394950.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 3 2 332.496 1.984 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000130685281 287497591 /nfs/dbraw/zinc/49/75/91/287497591.db2.gz XRCWKVZZKFWINJ-PKOBYXMFSA-N 2 2 345.487 1.736 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000237802326 273012935 /nfs/dbraw/zinc/01/29/35/273012935.db2.gz SEUKAUNDPDGENK-GOSISDBHSA-N 2 2 325.412 1.736 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)[nH+]c2c1 ZINC000273360195 268034207 /nfs/dbraw/zinc/03/42/07/268034207.db2.gz FECFNTBGXNRHJR-GJZGRUSLSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)[nH+]c2c1 ZINC000273360195 268034208 /nfs/dbraw/zinc/03/42/08/268034208.db2.gz FECFNTBGXNRHJR-GJZGRUSLSA-N 2 2 345.447 1.239 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274791372 268207601 /nfs/dbraw/zinc/20/76/01/268207601.db2.gz HHKDGOVAIPOFQE-AWEZNQCLSA-N 2 2 332.452 1.041 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274791372 268207602 /nfs/dbraw/zinc/20/76/02/268207602.db2.gz HHKDGOVAIPOFQE-AWEZNQCLSA-N 2 2 332.452 1.041 20 0 EDADLP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000275634915 268366727 /nfs/dbraw/zinc/36/67/27/268366727.db2.gz OXLVNDNIIZJCKE-ZDUSSCGKSA-N 2 2 339.505 1.727 20 0 EDADLP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000275634915 268366729 /nfs/dbraw/zinc/36/67/29/268366729.db2.gz OXLVNDNIIZJCKE-ZDUSSCGKSA-N 2 2 339.505 1.727 20 0 EDADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000275833689 268376304 /nfs/dbraw/zinc/37/63/04/268376304.db2.gz IDWZCADCWCGXCM-RBUKOAKNSA-N 2 2 342.491 1.553 20 0 EDADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000275833689 268376306 /nfs/dbraw/zinc/37/63/06/268376306.db2.gz IDWZCADCWCGXCM-RBUKOAKNSA-N 2 2 342.491 1.553 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277195925 268526781 /nfs/dbraw/zinc/52/67/81/268526781.db2.gz MECWTRUQEXGKGG-OALUTQOASA-N 3 2 346.519 1.822 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277195925 268526782 /nfs/dbraw/zinc/52/67/82/268526782.db2.gz MECWTRUQEXGKGG-OALUTQOASA-N 3 2 346.519 1.822 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000274242333 273079281 /nfs/dbraw/zinc/07/92/81/273079281.db2.gz WKZRFRBOSSGGSS-KRWDZBQOSA-N 2 2 338.423 1.866 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](c2ccccc2)CO1 ZINC000275246381 273109948 /nfs/dbraw/zinc/10/99/48/273109948.db2.gz OEUAJEADIRGPLD-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](c2ccccc2)CO1 ZINC000275246381 273109950 /nfs/dbraw/zinc/10/99/50/273109950.db2.gz OEUAJEADIRGPLD-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP CCC[C@@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)[NH+](C)C ZINC000275649087 273115693 /nfs/dbraw/zinc/11/56/93/273115693.db2.gz OGEQNHHUGRDUGS-GJZGRUSLSA-N 2 2 334.464 1.858 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1(C)C ZINC000275655965 273116735 /nfs/dbraw/zinc/11/67/35/273116735.db2.gz MAHHIBDULWAZFX-KDOFPFPSSA-N 2 2 330.432 1.791 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)[NH+](C)C1CC1 ZINC000276268934 273156894 /nfs/dbraw/zinc/15/68/94/273156894.db2.gz GMILKZTZUKNXSV-HOCLYGCPSA-N 2 2 346.479 1.175 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)[NH+](C)C1CC1 ZINC000276268934 273156895 /nfs/dbraw/zinc/15/68/95/273156895.db2.gz GMILKZTZUKNXSV-HOCLYGCPSA-N 2 2 346.479 1.175 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1)[N@H+](C)C1CC1 ZINC000276268934 273156896 /nfs/dbraw/zinc/15/68/96/273156896.db2.gz GMILKZTZUKNXSV-HOCLYGCPSA-N 2 2 346.479 1.175 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1)[N@@H+](C)C1CC1 ZINC000276268934 273156897 /nfs/dbraw/zinc/15/68/97/273156897.db2.gz GMILKZTZUKNXSV-HOCLYGCPSA-N 2 2 346.479 1.175 20 0 EDADLP O=CN1CCC([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000278215995 273254263 /nfs/dbraw/zinc/25/42/63/273254263.db2.gz IKALYJJGSCGWIG-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000281152044 273442232 /nfs/dbraw/zinc/44/22/32/273442232.db2.gz ZVZRRKHGPATZOY-CQSZACIVSA-N 2 2 329.404 1.520 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)oc1C ZINC000282297076 273624608 /nfs/dbraw/zinc/62/46/08/273624608.db2.gz SJPACQXYWZSZFT-HOCLYGCPSA-N 2 2 335.448 1.480 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)[N@H+](C)C1 ZINC000284598924 274258921 /nfs/dbraw/zinc/25/89/21/274258921.db2.gz AEXQGSBGSCOYKY-GJZGRUSLSA-N 2 2 329.404 1.058 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)[N@@H+](C)C1 ZINC000284598924 274258925 /nfs/dbraw/zinc/25/89/25/274258925.db2.gz AEXQGSBGSCOYKY-GJZGRUSLSA-N 2 2 329.404 1.058 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@H]21 ZINC000284634647 274273120 /nfs/dbraw/zinc/27/31/20/274273120.db2.gz VIWAYPRSJRRLRI-MOPGFXCFSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@H]21 ZINC000284634647 274273122 /nfs/dbraw/zinc/27/31/22/274273122.db2.gz VIWAYPRSJRRLRI-MOPGFXCFSA-N 2 2 343.471 1.828 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000659823976 452713384 /nfs/dbraw/zinc/71/33/84/452713384.db2.gz XRQHCNTXVNCLES-CYBMUJFWSA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000659823976 452713392 /nfs/dbraw/zinc/71/33/92/452713392.db2.gz XRQHCNTXVNCLES-CYBMUJFWSA-N 2 2 339.402 1.078 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCNC(=O)[C@H]2CC)CC1 ZINC000093050111 276262927 /nfs/dbraw/zinc/26/29/27/276262927.db2.gz VTNTZABHNXWVLH-GOSISDBHSA-N 2 2 344.503 1.929 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCNC(=O)[C@H]2CC)CC1 ZINC000093050111 276262928 /nfs/dbraw/zinc/26/29/28/276262928.db2.gz VTNTZABHNXWVLH-GOSISDBHSA-N 2 2 344.503 1.929 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377637689 276361017 /nfs/dbraw/zinc/36/10/17/276361017.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000377637689 276361018 /nfs/dbraw/zinc/36/10/18/276361018.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377637689 276361019 /nfs/dbraw/zinc/36/10/19/276361019.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377637689 276361020 /nfs/dbraw/zinc/36/10/20/276361020.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)C1 ZINC000348464290 276389946 /nfs/dbraw/zinc/38/99/46/276389946.db2.gz YFGLAAGABQNNDZ-DLBZAZTESA-N 2 2 346.475 1.683 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)C1 ZINC000348464290 276389947 /nfs/dbraw/zinc/38/99/47/276389947.db2.gz YFGLAAGABQNNDZ-DLBZAZTESA-N 2 2 346.475 1.683 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000369274512 277027962 /nfs/dbraw/zinc/02/79/62/277027962.db2.gz PUZLAJCWYHVZOK-QAPCUYQASA-N 2 2 329.444 1.275 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4O3)C2)CC1 ZINC000369274512 277027963 /nfs/dbraw/zinc/02/79/63/277027963.db2.gz PUZLAJCWYHVZOK-QAPCUYQASA-N 2 2 329.444 1.275 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC000459509166 277089934 /nfs/dbraw/zinc/08/99/34/277089934.db2.gz BRTQBXMBPBVRRP-UHFFFAOYSA-N 2 2 343.471 1.324 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c[nH]c(C(=O)OC)c2)nc[nH+]1 ZINC000267826392 277301995 /nfs/dbraw/zinc/30/19/95/277301995.db2.gz UERSLNNFGMZGLI-CYBMUJFWSA-N 2 2 344.419 1.392 20 0 EDADLP COC(=O)[C@H](c1ccccc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180938906 277385869 /nfs/dbraw/zinc/38/58/69/277385869.db2.gz OEUSUABRNDLLJV-SFHVURJKSA-N 2 2 333.476 1.859 20 0 EDADLP COC(=O)[C@H](c1ccccc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180938906 277385871 /nfs/dbraw/zinc/38/58/71/277385871.db2.gz OEUSUABRNDLLJV-SFHVURJKSA-N 2 2 333.476 1.859 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)c1 ZINC000271317017 278066020 /nfs/dbraw/zinc/06/60/20/278066020.db2.gz SKSOSLPRKGCVTM-UHFFFAOYSA-N 2 2 339.461 1.037 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000266859380 278139659 /nfs/dbraw/zinc/13/96/59/278139659.db2.gz AJVVJVHSPYSJBG-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000266859380 278139660 /nfs/dbraw/zinc/13/96/60/278139660.db2.gz AJVVJVHSPYSJBG-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360553653 278156338 /nfs/dbraw/zinc/15/63/38/278156338.db2.gz TVBJTCNMEBZGRD-SIXWZSSISA-N 2 2 329.444 1.700 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360553653 278156340 /nfs/dbraw/zinc/15/63/40/278156340.db2.gz TVBJTCNMEBZGRD-SIXWZSSISA-N 2 2 329.444 1.700 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292179597 278215067 /nfs/dbraw/zinc/21/50/67/278215067.db2.gz QKPBFKZFXYNQQR-IFXJQAMLSA-N 2 2 345.443 1.812 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292179597 278215068 /nfs/dbraw/zinc/21/50/68/278215068.db2.gz QKPBFKZFXYNQQR-IFXJQAMLSA-N 2 2 345.443 1.812 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292179597 278215069 /nfs/dbraw/zinc/21/50/69/278215069.db2.gz QKPBFKZFXYNQQR-IFXJQAMLSA-N 2 2 345.443 1.812 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292179597 278215070 /nfs/dbraw/zinc/21/50/70/278215070.db2.gz QKPBFKZFXYNQQR-IFXJQAMLSA-N 2 2 345.443 1.812 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000371089509 278264750 /nfs/dbraw/zinc/26/47/50/278264750.db2.gz UDLVCCKXTDXNSX-YOEHRIQHSA-N 2 2 332.448 1.193 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000371089509 278264753 /nfs/dbraw/zinc/26/47/53/278264753.db2.gz UDLVCCKXTDXNSX-YOEHRIQHSA-N 2 2 332.448 1.193 20 0 EDADLP CC(C)(CNC(=O)C[NH2+][C@H]1CCCCC1(C)C)[NH+]1CCOCC1 ZINC000119819907 278614031 /nfs/dbraw/zinc/61/40/31/278614031.db2.gz IVNHVSCNCBXSHM-HNNXBMFYSA-N 2 2 325.497 1.772 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000330860348 279111322 /nfs/dbraw/zinc/11/13/22/279111322.db2.gz RSKIHTRUHYUTDN-HUUCEWRRSA-N 2 2 328.482 1.438 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)C[C@H](C)O1 ZINC000365141406 288153287 /nfs/dbraw/zinc/15/32/87/288153287.db2.gz YQQKEDVZYLUUGZ-UXLLHSPISA-N 2 2 344.521 1.242 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3CCS(=O)(=O)C3)CC2)C[C@H](C)O1 ZINC000365141406 288153289 /nfs/dbraw/zinc/15/32/89/288153289.db2.gz YQQKEDVZYLUUGZ-UXLLHSPISA-N 2 2 344.521 1.242 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000287369556 288222237 /nfs/dbraw/zinc/22/22/37/288222237.db2.gz XCUKMVFNOCXACH-GOEBONIOSA-N 2 2 325.416 1.966 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000289356135 288680370 /nfs/dbraw/zinc/68/03/70/288680370.db2.gz IAQSJDRSDOAKND-UHFFFAOYSA-N 2 2 327.450 1.125 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289826233 288786424 /nfs/dbraw/zinc/78/64/24/288786424.db2.gz BAUUNNRINQTLJH-DOTOQJQBSA-N 2 2 329.444 1.200 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000290018967 288822668 /nfs/dbraw/zinc/82/26/68/288822668.db2.gz CELSDCCJEREFIL-QYZOEREBSA-N 2 2 345.487 1.810 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CC1 ZINC000357831307 289142034 /nfs/dbraw/zinc/14/20/34/289142034.db2.gz PESJZABXNYKEAL-HZPDHXFCSA-N 2 2 349.479 1.623 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292166387 289278785 /nfs/dbraw/zinc/27/87/85/289278785.db2.gz PDZKAFKSYRVVJM-KZULUSFZSA-N 2 2 343.431 1.211 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292166387 289278787 /nfs/dbraw/zinc/27/87/87/289278787.db2.gz PDZKAFKSYRVVJM-KZULUSFZSA-N 2 2 343.431 1.211 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292166387 289278789 /nfs/dbraw/zinc/27/87/89/289278789.db2.gz PDZKAFKSYRVVJM-KZULUSFZSA-N 2 2 343.431 1.211 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292166387 289278790 /nfs/dbraw/zinc/27/87/90/289278790.db2.gz PDZKAFKSYRVVJM-KZULUSFZSA-N 2 2 343.431 1.211 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2cc(C3CC3)[nH+]c(N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000342066230 289316866 /nfs/dbraw/zinc/31/68/66/289316866.db2.gz STNYNIZZULKTOW-CVEARBPZSA-N 3 2 344.507 1.635 20 0 EDADLP Cc1ccoc1C[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000292390728 289333904 /nfs/dbraw/zinc/33/39/04/289333904.db2.gz SIGBKKRYUFTQLL-INIZCTEOSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1ccoc1C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000292390728 289333907 /nfs/dbraw/zinc/33/39/07/289333907.db2.gz SIGBKKRYUFTQLL-INIZCTEOSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1ccoc1C[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000292390728 289333909 /nfs/dbraw/zinc/33/39/09/289333909.db2.gz SIGBKKRYUFTQLL-INIZCTEOSA-N 2 2 337.464 1.493 20 0 EDADLP Cc1ccoc1C[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000292390728 289333915 /nfs/dbraw/zinc/33/39/15/289333915.db2.gz SIGBKKRYUFTQLL-INIZCTEOSA-N 2 2 337.464 1.493 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000357105063 289340922 /nfs/dbraw/zinc/34/09/22/289340922.db2.gz WYFFQFSXLMNRFP-BEFAXECRSA-N 2 2 344.459 1.558 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000357105063 289340925 /nfs/dbraw/zinc/34/09/25/289340925.db2.gz WYFFQFSXLMNRFP-BEFAXECRSA-N 2 2 344.459 1.558 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000357105063 289340927 /nfs/dbraw/zinc/34/09/27/289340927.db2.gz WYFFQFSXLMNRFP-BEFAXECRSA-N 2 2 344.459 1.558 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000357105063 289340929 /nfs/dbraw/zinc/34/09/29/289340929.db2.gz WYFFQFSXLMNRFP-BEFAXECRSA-N 2 2 344.459 1.558 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+])cc1F ZINC000662298136 453021028 /nfs/dbraw/zinc/02/10/28/453021028.db2.gz VQZJKFPLCAAVRN-LBPRGKRZSA-N 2 2 325.428 1.850 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+])cc1F ZINC000662298136 453021037 /nfs/dbraw/zinc/02/10/37/453021037.db2.gz VQZJKFPLCAAVRN-LBPRGKRZSA-N 2 2 325.428 1.850 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000268923292 295153805 /nfs/dbraw/zinc/15/38/05/295153805.db2.gz PJSXNEDGBITCRU-JKSUJKDBSA-N 2 2 335.423 1.969 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000268923292 295153808 /nfs/dbraw/zinc/15/38/08/295153808.db2.gz PJSXNEDGBITCRU-JKSUJKDBSA-N 2 2 335.423 1.969 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418519882 304507727 /nfs/dbraw/zinc/50/77/27/304507727.db2.gz BVFVYKGENUJJCK-DAXSKMNVSA-N 2 2 338.402 1.621 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000342702651 297543835 /nfs/dbraw/zinc/54/38/35/297543835.db2.gz ZJHIYUHGZCOCKT-JQHSSLGASA-N 2 2 331.460 1.564 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662382483 453092523 /nfs/dbraw/zinc/09/25/23/453092523.db2.gz VIDDOZPXNDSPIT-ZWNOBZJWSA-N 2 2 337.221 1.850 20 0 EDADLP CCC(CC)(C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)OC ZINC000430112806 305045813 /nfs/dbraw/zinc/04/58/13/305045813.db2.gz FMPNXHCPPKMOBO-UHFFFAOYSA-N 2 2 327.513 1.578 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369428565 300306935 /nfs/dbraw/zinc/30/69/35/300306935.db2.gz VCDRMIZGHLNCBF-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369428565 300306939 /nfs/dbraw/zinc/30/69/39/300306939.db2.gz VCDRMIZGHLNCBF-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000369428565 300306940 /nfs/dbraw/zinc/30/69/40/300306940.db2.gz VCDRMIZGHLNCBF-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000369428565 300306942 /nfs/dbraw/zinc/30/69/42/300306942.db2.gz VCDRMIZGHLNCBF-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(N)[nH+]c2)[NH+](C)C)cc1 ZINC000414792915 447325199 /nfs/dbraw/zinc/32/51/99/447325199.db2.gz RYCFIXVLHRPJJB-OAHLLOKOSA-N 2 2 341.415 1.330 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCOC1 ZINC000162813990 302934266 /nfs/dbraw/zinc/93/42/66/302934266.db2.gz IPFDUKWDYMAURN-HOCLYGCPSA-N 2 2 337.489 1.407 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000293813356 303022952 /nfs/dbraw/zinc/02/29/52/303022952.db2.gz FKMUFMDPUPLNFG-ZWKOTPCHSA-N 2 2 340.427 1.808 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000293813356 303022953 /nfs/dbraw/zinc/02/29/53/303022953.db2.gz FKMUFMDPUPLNFG-ZWKOTPCHSA-N 2 2 340.427 1.808 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000293985622 303047810 /nfs/dbraw/zinc/04/78/10/303047810.db2.gz VZLPRKFCFGCZKK-JKSUJKDBSA-N 2 2 328.416 1.198 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000293985622 303047812 /nfs/dbraw/zinc/04/78/12/303047812.db2.gz VZLPRKFCFGCZKK-JKSUJKDBSA-N 2 2 328.416 1.198 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCCn2cc(CO)nn2)CCC[N@@H+]1Cc1ccccc1 ZINC000294301844 303089262 /nfs/dbraw/zinc/08/92/62/303089262.db2.gz NJQJPTSDNJOODD-LPHOPBHVSA-N 2 2 343.475 1.803 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCCn2cc(CO)nn2)CCC[N@H+]1Cc1ccccc1 ZINC000294301844 303089265 /nfs/dbraw/zinc/08/92/65/303089265.db2.gz NJQJPTSDNJOODD-LPHOPBHVSA-N 2 2 343.475 1.803 20 0 EDADLP COC(=O)Cn1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)nn1 ZINC000294732985 303140559 /nfs/dbraw/zinc/14/05/59/303140559.db2.gz GWOJEVUTYSDLOV-CQSZACIVSA-N 2 2 344.419 1.089 20 0 EDADLP COC(=O)Cn1cc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)nn1 ZINC000294732985 303140561 /nfs/dbraw/zinc/14/05/61/303140561.db2.gz GWOJEVUTYSDLOV-CQSZACIVSA-N 2 2 344.419 1.089 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295109307 303174299 /nfs/dbraw/zinc/17/42/99/303174299.db2.gz LLSVNZQYQCIQSP-JKSUJKDBSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295109307 303174300 /nfs/dbraw/zinc/17/43/00/303174300.db2.gz LLSVNZQYQCIQSP-JKSUJKDBSA-N 2 2 349.475 1.849 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](Cn2cccn2)C(C)C)nc[nH+]1 ZINC000296778037 303337235 /nfs/dbraw/zinc/33/72/35/303337235.db2.gz KRERDOJIBLPQEB-CVEARBPZSA-N 2 2 343.479 1.998 20 0 EDADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](CO)c1ccccc1 ZINC000297194519 303371037 /nfs/dbraw/zinc/37/10/37/303371037.db2.gz GDNUYENFPJDBOD-SFHVURJKSA-N 2 2 348.491 1.387 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000237870915 303456844 /nfs/dbraw/zinc/45/68/44/303456844.db2.gz ILBTXIOGXYMLGI-KFWWJZLASA-N 2 2 337.489 1.755 20 0 EDADLP COCC[NH2+]CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414866319 447335065 /nfs/dbraw/zinc/33/50/65/447335065.db2.gz AMQLLBRGNHQFCP-UHFFFAOYSA-N 2 2 339.867 1.770 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c(C)[nH+]1 ZINC000411135568 303886250 /nfs/dbraw/zinc/88/62/50/303886250.db2.gz PMYXEEOQSNHMPT-UHFFFAOYSA-N 2 2 332.448 1.938 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000422963828 304881496 /nfs/dbraw/zinc/88/14/96/304881496.db2.gz JUKAQNCPKMVSHE-IXDOHACOSA-N 2 2 325.497 1.770 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000423337736 304893236 /nfs/dbraw/zinc/89/32/36/304893236.db2.gz VKAUBOASIRXFBJ-UHFFFAOYSA-N 2 2 326.444 1.954 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423581952 304899965 /nfs/dbraw/zinc/89/99/65/304899965.db2.gz ZQSWBHGSKHMNEJ-SFHVURJKSA-N 3 2 342.491 1.640 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1(F)F ZINC000426109026 304979240 /nfs/dbraw/zinc/97/92/40/304979240.db2.gz AYZUCQAAWSQHBT-CYBMUJFWSA-N 2 2 332.439 1.699 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428038300 305004979 /nfs/dbraw/zinc/00/49/79/305004979.db2.gz XKTNGWMMSRRMPQ-AEFFLSMTSA-N 2 2 347.459 1.012 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428038300 305004980 /nfs/dbraw/zinc/00/49/80/305004980.db2.gz XKTNGWMMSRRMPQ-AEFFLSMTSA-N 2 2 347.459 1.012 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000428965301 305021171 /nfs/dbraw/zinc/02/11/71/305021171.db2.gz HBRAVJKMGRVWIO-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000428965301 305021172 /nfs/dbraw/zinc/02/11/72/305021172.db2.gz HBRAVJKMGRVWIO-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000429741505 305036184 /nfs/dbraw/zinc/03/61/84/305036184.db2.gz FMRSAUGYYHQOEG-UHFFFAOYSA-N 2 2 338.839 1.160 20 0 EDADLP Cc1c(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)cnn1C ZINC000429984946 305042038 /nfs/dbraw/zinc/04/20/38/305042038.db2.gz IONJJCQXBJVNOL-INIZCTEOSA-N 2 2 338.415 1.482 20 0 EDADLP CCC(CC)(C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)OC ZINC000430112806 305045812 /nfs/dbraw/zinc/04/58/12/305045812.db2.gz FMPNXHCPPKMOBO-UHFFFAOYSA-N 2 2 327.513 1.578 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430538681 305055837 /nfs/dbraw/zinc/05/58/37/305055837.db2.gz CMPLCIIHUZVONL-KCQAQPDRSA-N 2 2 332.448 1.432 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430538681 305055838 /nfs/dbraw/zinc/05/58/38/305055838.db2.gz CMPLCIIHUZVONL-KCQAQPDRSA-N 2 2 332.448 1.432 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430538684 305055884 /nfs/dbraw/zinc/05/58/84/305055884.db2.gz CMPLCIIHUZVONL-YDHLFZDLSA-N 2 2 332.448 1.432 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430538684 305055885 /nfs/dbraw/zinc/05/58/85/305055885.db2.gz CMPLCIIHUZVONL-YDHLFZDLSA-N 2 2 332.448 1.432 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+](C)CC(C)(C)C[NH3+])c1OC ZINC000430575715 305056700 /nfs/dbraw/zinc/05/67/00/305056700.db2.gz RDMJJAYYPICOFN-UHFFFAOYSA-N 2 2 337.464 1.579 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])c1OC ZINC000430575715 305056701 /nfs/dbraw/zinc/05/67/01/305056701.db2.gz RDMJJAYYPICOFN-UHFFFAOYSA-N 2 2 337.464 1.579 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430602097 305058002 /nfs/dbraw/zinc/05/80/02/305058002.db2.gz GETMWJFMQLLZDP-UONOGXRCSA-N 2 2 333.432 1.716 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430602097 305058003 /nfs/dbraw/zinc/05/80/03/305058003.db2.gz GETMWJFMQLLZDP-UONOGXRCSA-N 2 2 333.432 1.716 20 0 EDADLP NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430635432 305060657 /nfs/dbraw/zinc/06/06/57/305060657.db2.gz GYSBNVRWKDFWOZ-CYBMUJFWSA-N 2 2 326.238 1.646 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1Oc1cccnc1 ZINC000430640517 305060837 /nfs/dbraw/zinc/06/08/37/305060837.db2.gz RDADKPFQQPYPAP-UHFFFAOYSA-N 2 2 340.427 1.738 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1Oc1cccnc1 ZINC000430640517 305060838 /nfs/dbraw/zinc/06/08/38/305060838.db2.gz RDADKPFQQPYPAP-UHFFFAOYSA-N 2 2 340.427 1.738 20 0 EDADLP CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430643977 305061040 /nfs/dbraw/zinc/06/10/40/305061040.db2.gz YJSMOACKQWTLDC-RYUDHWBXSA-N 2 2 326.466 1.137 20 0 EDADLP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430643977 305061041 /nfs/dbraw/zinc/06/10/41/305061041.db2.gz YJSMOACKQWTLDC-RYUDHWBXSA-N 2 2 326.466 1.137 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000430960933 305070986 /nfs/dbraw/zinc/07/09/86/305070986.db2.gz APRYFBVVPLPVDH-JTQLQIEISA-N 2 2 327.812 1.576 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000430960933 305070987 /nfs/dbraw/zinc/07/09/87/305070987.db2.gz APRYFBVVPLPVDH-JTQLQIEISA-N 2 2 327.812 1.576 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000431014136 305072918 /nfs/dbraw/zinc/07/29/18/305072918.db2.gz ZWYXQAGPLHLVQJ-WBVHZDCISA-N 2 2 333.480 1.090 20 0 EDADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)[nH+]1 ZINC000431094459 305075055 /nfs/dbraw/zinc/07/50/55/305075055.db2.gz BKJSKGAHKFXQTJ-CYBMUJFWSA-N 3 2 330.436 1.901 20 0 EDADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)[nH+]1 ZINC000431094459 305075056 /nfs/dbraw/zinc/07/50/56/305075056.db2.gz BKJSKGAHKFXQTJ-CYBMUJFWSA-N 3 2 330.436 1.901 20 0 EDADLP Cc1cccc(NC[C@H]2CCN(Cc3nc(C(C)(C)[NH3+])no3)C2)[nH+]1 ZINC000431094459 305075057 /nfs/dbraw/zinc/07/50/57/305075057.db2.gz BKJSKGAHKFXQTJ-CYBMUJFWSA-N 2 2 330.436 1.901 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1)CCCC2 ZINC000432099514 305087179 /nfs/dbraw/zinc/08/71/79/305087179.db2.gz QQQNWPVVWPCPKO-CQSZACIVSA-N 2 2 325.478 1.752 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1)CCCC2 ZINC000432099514 305087180 /nfs/dbraw/zinc/08/71/80/305087180.db2.gz QQQNWPVVWPCPKO-CQSZACIVSA-N 2 2 325.478 1.752 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H](C[NH3+])C(C)C)[NH+]2CCOCC2)c1 ZINC000433157828 305102022 /nfs/dbraw/zinc/10/20/22/305102022.db2.gz NUBPOFKWPQIWGC-MSOLQXFVSA-N 2 2 333.476 1.715 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000433838399 305113720 /nfs/dbraw/zinc/11/37/20/305113720.db2.gz KELSGWFXQALAMY-IRXDYDNUSA-N 2 2 325.497 1.532 20 0 EDADLP COc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1OCC(=O)N1CCCC1 ZINC000435376046 305139254 /nfs/dbraw/zinc/13/92/54/305139254.db2.gz YFONRYNNXRKZFX-UHFFFAOYSA-N 2 2 347.459 1.492 20 0 EDADLP COc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1OCC(=O)N1CCCC1 ZINC000435376046 305139255 /nfs/dbraw/zinc/13/92/55/305139255.db2.gz YFONRYNNXRKZFX-UHFFFAOYSA-N 2 2 347.459 1.492 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@H]1CCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559827 305142243 /nfs/dbraw/zinc/14/22/43/305142243.db2.gz JVGHTRGCVHAJII-HZPDHXFCSA-N 2 2 346.475 1.800 20 0 EDADLP O=C(CCn1cc[nH+]c1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435560685 305142496 /nfs/dbraw/zinc/14/24/96/305142496.db2.gz ONQZYMDRUGGFHE-AWEZNQCLSA-N 2 2 345.472 1.901 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1OC ZINC000435616350 305143547 /nfs/dbraw/zinc/14/35/47/305143547.db2.gz LQOQTTIYCGSGFR-MRXNPFEDSA-N 2 2 349.475 1.736 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1OC ZINC000435616350 305143548 /nfs/dbraw/zinc/14/35/48/305143548.db2.gz LQOQTTIYCGSGFR-MRXNPFEDSA-N 2 2 349.475 1.736 20 0 EDADLP C[NH2+]CCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000435886055 305148961 /nfs/dbraw/zinc/14/89/61/305148961.db2.gz RRVSPDCZEJJCER-SFHVURJKSA-N 3 2 331.508 1.525 20 0 EDADLP C[NH2+]CCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000435886055 305148962 /nfs/dbraw/zinc/14/89/62/305148962.db2.gz RRVSPDCZEJJCER-SFHVURJKSA-N 3 2 331.508 1.525 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000436058886 305151619 /nfs/dbraw/zinc/15/16/19/305151619.db2.gz JHDNRTCNWHLKNA-GFCCVEGCSA-N 2 2 349.460 1.618 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000436058886 305151620 /nfs/dbraw/zinc/15/16/20/305151620.db2.gz JHDNRTCNWHLKNA-GFCCVEGCSA-N 2 2 349.460 1.618 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)n1C ZINC000436481212 305158205 /nfs/dbraw/zinc/15/82/05/305158205.db2.gz TYRBUVVWOZVLAO-HNNXBMFYSA-N 2 2 349.504 1.711 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000446369179 305264011 /nfs/dbraw/zinc/26/40/11/305264011.db2.gz LJESFTDVDJZPAX-JCKWVBRZSA-N 2 2 332.448 1.368 20 0 EDADLP C[NH+](C)C1(CNC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC000446619100 305268125 /nfs/dbraw/zinc/26/81/25/305268125.db2.gz ZVEKLQUUUWLIPW-INIZCTEOSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+](C)C1(CNC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC000446619100 305268126 /nfs/dbraw/zinc/26/81/26/305268126.db2.gz ZVEKLQUUUWLIPW-INIZCTEOSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000449143800 305307763 /nfs/dbraw/zinc/30/77/63/305307763.db2.gz RIEQFOVOHDJBRM-KGLIPLIRSA-N 2 2 327.469 1.106 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000450042414 305323376 /nfs/dbraw/zinc/32/33/76/305323376.db2.gz KNXJLZCBTORFJS-QGZVFWFLSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000450383362 305329550 /nfs/dbraw/zinc/32/95/50/305329550.db2.gz ZPKRNIVMZNGQNV-FUHWJXTLSA-N 2 2 328.460 1.702 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452349614 305391517 /nfs/dbraw/zinc/39/15/17/305391517.db2.gz BQQKOPDRITXGNV-OAHLLOKOSA-N 2 2 330.432 1.308 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452349614 305391518 /nfs/dbraw/zinc/39/15/18/305391518.db2.gz BQQKOPDRITXGNV-OAHLLOKOSA-N 2 2 330.432 1.308 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000487940330 305553936 /nfs/dbraw/zinc/55/39/36/305553936.db2.gz GEFMLWFDQLZQLC-OAGGEKHMSA-N 2 2 333.480 1.865 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C\C3CCOCC3)CC2)CC1 ZINC000491845450 305579432 /nfs/dbraw/zinc/57/94/32/305579432.db2.gz MVHGXEXFMMZRNG-IHWYPQMZSA-N 2 2 335.492 1.644 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000492775288 305601507 /nfs/dbraw/zinc/60/15/07/305601507.db2.gz LPTIIRURYRTOBZ-WAYWQWQTSA-N 2 2 340.427 1.696 20 0 EDADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000495075403 305635215 /nfs/dbraw/zinc/63/52/15/305635215.db2.gz QSRZTYPATHRDAQ-KRWDZBQOSA-N 3 2 345.491 1.241 20 0 EDADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000516920959 305743992 /nfs/dbraw/zinc/74/39/92/305743992.db2.gz GNGJXLYAOMKWSN-QSPRXWTASA-N 3 2 333.480 1.386 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000528691440 305884770 /nfs/dbraw/zinc/88/47/70/305884770.db2.gz ROSQXGGOUTVJIY-MRXNPFEDSA-N 2 2 343.431 1.957 20 0 EDADLP Cc1cccn2cc(CC(=O)NCC3(O)CC[NH+](C(C)C)CC3)[nH+]c12 ZINC000531865340 305969804 /nfs/dbraw/zinc/96/98/04/305969804.db2.gz DHMBHTMCSHFWOA-UHFFFAOYSA-N 2 2 344.459 1.537 20 0 EDADLP COC[C@]1(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000414944682 447367244 /nfs/dbraw/zinc/36/72/44/447367244.db2.gz OJGRBUFMEUIQPM-GOSISDBHSA-N 2 2 344.415 1.664 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000534350591 306006971 /nfs/dbraw/zinc/00/69/71/306006971.db2.gz FBAWCYKPJTYVPR-UHFFFAOYSA-N 2 2 338.455 1.975 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000536618328 306024071 /nfs/dbraw/zinc/02/40/71/306024071.db2.gz BHDJWMMHBGXOTC-AWEZNQCLSA-N 2 2 333.480 1.515 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cscn1 ZINC000536625586 306024284 /nfs/dbraw/zinc/02/42/84/306024284.db2.gz SIQPEMGOMTXHAT-AWEZNQCLSA-N 2 2 345.472 1.928 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540848721 306040787 /nfs/dbraw/zinc/04/07/87/306040787.db2.gz XEEVXROGXZLFFH-UHFFFAOYSA-N 2 2 336.399 1.773 20 0 EDADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccn(C)n1 ZINC000542670390 306056479 /nfs/dbraw/zinc/05/64/79/306056479.db2.gz FCPYZYHKWDBZRA-INIZCTEOSA-N 2 2 343.479 1.463 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccon1 ZINC000543475972 306064130 /nfs/dbraw/zinc/06/41/30/306064130.db2.gz SYZCZKRWOFICGN-ZDUSSCGKSA-N 2 2 335.452 1.593 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547983248 306116636 /nfs/dbraw/zinc/11/66/36/306116636.db2.gz YOZWILICZNTYMG-CQSZACIVSA-N 2 2 328.416 1.568 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000548408057 306127291 /nfs/dbraw/zinc/12/72/91/306127291.db2.gz HGZJEVAZHIEPFZ-HNNXBMFYSA-N 2 2 346.475 1.981 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(CCO)CC1 ZINC000552716465 306181067 /nfs/dbraw/zinc/18/10/67/306181067.db2.gz REGRCUCFNCKGPW-MRXNPFEDSA-N 2 2 346.475 1.213 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)Cc3cnn(C)c3)c2cc1C ZINC000552912724 306181684 /nfs/dbraw/zinc/18/16/84/306181684.db2.gz BKPWMKDCMUJFSB-RDJZCZTQSA-N 2 2 341.459 1.968 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000554454734 306191806 /nfs/dbraw/zinc/19/18/06/306191806.db2.gz UVUOSGLYZDPYTH-RBUKOAKNSA-N 2 2 347.503 1.776 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000554454734 306191807 /nfs/dbraw/zinc/19/18/07/306191807.db2.gz UVUOSGLYZDPYTH-RBUKOAKNSA-N 2 2 347.503 1.776 20 0 EDADLP COCCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)c1 ZINC000556942077 306221623 /nfs/dbraw/zinc/22/16/23/306221623.db2.gz IEHJOGVCMKHHGU-CQSZACIVSA-N 2 2 336.436 1.127 20 0 EDADLP COCCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)c1 ZINC000556942077 306221624 /nfs/dbraw/zinc/22/16/24/306221624.db2.gz IEHJOGVCMKHHGU-CQSZACIVSA-N 2 2 336.436 1.127 20 0 EDADLP CC1(C)C[NH+](CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000557564958 306229330 /nfs/dbraw/zinc/22/93/30/306229330.db2.gz LQIDYUADVDOZQW-INIZCTEOSA-N 2 2 344.459 1.417 20 0 EDADLP CC1(C)C[NH+](CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC000557564958 306229331 /nfs/dbraw/zinc/22/93/31/306229331.db2.gz LQIDYUADVDOZQW-INIZCTEOSA-N 2 2 344.459 1.417 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458450440 447373221 /nfs/dbraw/zinc/37/32/21/447373221.db2.gz ZMYCFJOKCPKWNV-YESZJQIVSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458450440 447373227 /nfs/dbraw/zinc/37/32/27/447373227.db2.gz ZMYCFJOKCPKWNV-YESZJQIVSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458450440 447373231 /nfs/dbraw/zinc/37/32/31/447373231.db2.gz ZMYCFJOKCPKWNV-YESZJQIVSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458450440 447373237 /nfs/dbraw/zinc/37/32/37/447373237.db2.gz ZMYCFJOKCPKWNV-YESZJQIVSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000377830185 447375401 /nfs/dbraw/zinc/37/54/01/447375401.db2.gz BOIYWARRYYBBGJ-ZWKOTPCHSA-N 2 2 348.466 1.452 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000377830185 447375405 /nfs/dbraw/zinc/37/54/05/447375405.db2.gz BOIYWARRYYBBGJ-ZWKOTPCHSA-N 2 2 348.466 1.452 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(F)ccc1F ZINC000657072450 453662137 /nfs/dbraw/zinc/66/21/37/453662137.db2.gz YZFHFHXJMDHQEG-LBPRGKRZSA-N 2 2 349.447 1.515 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cc(F)ccc1F ZINC000657072450 453662141 /nfs/dbraw/zinc/66/21/41/453662141.db2.gz YZFHFHXJMDHQEG-LBPRGKRZSA-N 2 2 349.447 1.515 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCCC[C@H]1O ZINC000426225276 447400601 /nfs/dbraw/zinc/40/06/01/447400601.db2.gz DJZRREDFOYRZLT-IAGOWNOFSA-N 2 2 335.448 1.159 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCCC[C@H]1O ZINC000426225276 447400609 /nfs/dbraw/zinc/40/06/09/447400609.db2.gz DJZRREDFOYRZLT-IAGOWNOFSA-N 2 2 335.448 1.159 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000493897810 447417526 /nfs/dbraw/zinc/41/75/26/447417526.db2.gz RICPFZUESBFGJK-QWHCGFSZSA-N 2 2 337.468 1.780 20 0 EDADLP CC[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000071925588 441198947 /nfs/dbraw/zinc/19/89/47/441198947.db2.gz RTGCDYCWGJEERJ-UHFFFAOYSA-N 2 2 331.464 1.919 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c1 ZINC000104718016 441201512 /nfs/dbraw/zinc/20/15/12/441201512.db2.gz CHOQJFHQBUREBC-UHFFFAOYSA-N 2 2 326.400 1.511 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000104779898 441207381 /nfs/dbraw/zinc/20/73/81/441207381.db2.gz UDKCTJXHVJMDCL-MAUKXSAKSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCc2ccccc2C1 ZINC000104779898 441207386 /nfs/dbraw/zinc/20/73/86/441207386.db2.gz UDKCTJXHVJMDCL-MAUKXSAKSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000104779898 441207391 /nfs/dbraw/zinc/20/73/91/441207391.db2.gz UDKCTJXHVJMDCL-MAUKXSAKSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+]1CCc2ccccc2C1 ZINC000104779898 441207392 /nfs/dbraw/zinc/20/73/92/441207392.db2.gz UDKCTJXHVJMDCL-MAUKXSAKSA-N 2 2 346.475 1.063 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000058835513 441214428 /nfs/dbraw/zinc/21/44/28/441214428.db2.gz JNZAFZFTHLTGHR-UHFFFAOYSA-N 2 2 332.448 1.355 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)NCc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000048016971 441250422 /nfs/dbraw/zinc/25/04/22/441250422.db2.gz UEYSSIVMDNSWDJ-GJZGRUSLSA-N 2 2 345.447 1.633 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)NCc1cn2ccccc2[nH+]1 ZINC000048016603 441250514 /nfs/dbraw/zinc/25/05/14/441250514.db2.gz SFPXHCDGBSMUOO-UHFFFAOYSA-N 2 2 331.420 1.246 20 0 EDADLP CCC[NH+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000048170232 441267986 /nfs/dbraw/zinc/26/79/86/441267986.db2.gz NYIQDMMOPHMVLX-UHFFFAOYSA-N 2 2 333.480 1.186 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081485350 441276705 /nfs/dbraw/zinc/27/67/05/441276705.db2.gz QUXNDRXFXOKVDM-KRWDZBQOSA-N 2 2 346.475 1.477 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081485350 441276708 /nfs/dbraw/zinc/27/67/08/441276708.db2.gz QUXNDRXFXOKVDM-KRWDZBQOSA-N 2 2 346.475 1.477 20 0 EDADLP C[C@@H](CCNC(=O)NCC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000081673907 441302032 /nfs/dbraw/zinc/30/20/32/441302032.db2.gz OCZXWUIJIHYVOB-KRWDZBQOSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@@H](CCNC(=O)NCC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000081673907 441302035 /nfs/dbraw/zinc/30/20/35/441302035.db2.gz OCZXWUIJIHYVOB-KRWDZBQOSA-N 2 2 348.491 1.528 20 0 EDADLP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000105876224 441304281 /nfs/dbraw/zinc/30/42/81/441304281.db2.gz YIFSDTMRPBNILF-UHFFFAOYSA-N 2 2 330.476 1.979 20 0 EDADLP C[C@H]([C@H](C)NC(=O)C1([NH+](C)C)Cc2ccccc2C1)[NH+]1CCOCC1 ZINC000073431174 441316838 /nfs/dbraw/zinc/31/68/38/441316838.db2.gz RQVBEQBPLPOMCM-JKSUJKDBSA-N 2 2 345.487 1.311 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000106901354 441386379 /nfs/dbraw/zinc/38/63/79/441386379.db2.gz XYLMGSLEWJGHCF-QZTJIDSGSA-N 2 2 333.476 1.590 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+](C)C ZINC000106901354 441386383 /nfs/dbraw/zinc/38/63/83/441386383.db2.gz XYLMGSLEWJGHCF-QZTJIDSGSA-N 2 2 333.476 1.590 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSC(F)(F)F)CC2)CC1 ZINC000050798644 441389448 /nfs/dbraw/zinc/38/94/48/441389448.db2.gz WLRBQADZKQJWEL-UHFFFAOYSA-N 2 2 339.427 1.914 20 0 EDADLP CC(C)CO[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797208 441389465 /nfs/dbraw/zinc/38/94/65/441389465.db2.gz QAYUZVZCRILERL-HNNXBMFYSA-N 2 2 325.497 1.722 20 0 EDADLP Cc1cc(C)n([C@@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000050797012 441389825 /nfs/dbraw/zinc/38/98/25/441389825.db2.gz QNCQPRYABMOSBY-INIZCTEOSA-N 2 2 347.507 1.736 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3)C2)CC1 ZINC000107369505 441413052 /nfs/dbraw/zinc/41/30/52/441413052.db2.gz MXMVJOUHODCRFS-HKUYNNGSSA-N 2 2 344.503 1.403 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NCc3ccccc3)C2)CC1 ZINC000107369505 441413058 /nfs/dbraw/zinc/41/30/58/441413058.db2.gz MXMVJOUHODCRFS-HKUYNNGSSA-N 2 2 344.503 1.403 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000052857962 441481749 /nfs/dbraw/zinc/48/17/49/441481749.db2.gz BEFRAFLIEROAKE-SFHVURJKSA-N 2 2 344.503 1.529 20 0 EDADLP C[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000052524095 441457327 /nfs/dbraw/zinc/45/73/27/441457327.db2.gz CPJCHNOYQLBXSC-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@H+]1CCC[C@@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000052524095 441457330 /nfs/dbraw/zinc/45/73/30/441457330.db2.gz CPJCHNOYQLBXSC-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000108587725 441466374 /nfs/dbraw/zinc/46/63/74/441466374.db2.gz LQRUXKUBNQHZCX-KRWDZBQOSA-N 2 2 331.464 1.251 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000108587725 441466379 /nfs/dbraw/zinc/46/63/79/441466379.db2.gz LQRUXKUBNQHZCX-KRWDZBQOSA-N 2 2 331.464 1.251 20 0 EDADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCCCC1 ZINC000053907162 441548557 /nfs/dbraw/zinc/54/85/57/441548557.db2.gz WCKRMLNLNZNYLM-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCCCC1 ZINC000053907162 441548561 /nfs/dbraw/zinc/54/85/61/441548561.db2.gz WCKRMLNLNZNYLM-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP CCCCN(CC)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109754957 441504530 /nfs/dbraw/zinc/50/45/30/441504530.db2.gz PWAPDECMXZACGA-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP CCCCN(CC)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109754957 441504534 /nfs/dbraw/zinc/50/45/34/441504534.db2.gz PWAPDECMXZACGA-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP CN(CC[NH+]1CCCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000112741969 441557062 /nfs/dbraw/zinc/55/70/62/441557062.db2.gz JODHXJCPSVVZIV-UHFFFAOYSA-N 2 2 331.464 1.919 20 0 EDADLP C[C@H](C[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000066853321 441575501 /nfs/dbraw/zinc/57/55/01/441575501.db2.gz UVKWGCYLDOWOIK-QGZVFWFLSA-N 2 2 347.503 1.949 20 0 EDADLP C[C@H](C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000066853321 441575503 /nfs/dbraw/zinc/57/55/03/441575503.db2.gz UVKWGCYLDOWOIK-QGZVFWFLSA-N 2 2 347.503 1.949 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200124 441642009 /nfs/dbraw/zinc/64/20/09/441642009.db2.gz HWKCJZBULNPVOA-VXGBXAGGSA-N 2 2 331.420 1.067 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114200124 441642013 /nfs/dbraw/zinc/64/20/13/441642013.db2.gz HWKCJZBULNPVOA-VXGBXAGGSA-N 2 2 331.420 1.067 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000114856125 441690888 /nfs/dbraw/zinc/69/08/88/441690888.db2.gz MTSRGEMJZGMGLE-RTBURBONSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000114856125 441690889 /nfs/dbraw/zinc/69/08/89/441690889.db2.gz MTSRGEMJZGMGLE-RTBURBONSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114856125 441690890 /nfs/dbraw/zinc/69/08/90/441690890.db2.gz MTSRGEMJZGMGLE-RTBURBONSA-N 2 2 343.471 1.630 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114856125 441690891 /nfs/dbraw/zinc/69/08/91/441690891.db2.gz MTSRGEMJZGMGLE-RTBURBONSA-N 2 2 343.471 1.630 20 0 EDADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316601 441753478 /nfs/dbraw/zinc/75/34/78/441753478.db2.gz OVFWKDWKRHIEKC-OAHLLOKOSA-N 2 2 334.464 1.808 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000042313782 441723546 /nfs/dbraw/zinc/72/35/46/441723546.db2.gz BFZHMJXHOQOGIK-GFCCVEGCSA-N 2 2 340.265 1.874 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1Br ZINC000137687430 441777847 /nfs/dbraw/zinc/77/78/47/441777847.db2.gz WVYYJBMMZOOTPT-GFCCVEGCSA-N 2 2 326.238 1.472 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1Br ZINC000137687430 441777851 /nfs/dbraw/zinc/77/78/51/441777851.db2.gz WVYYJBMMZOOTPT-GFCCVEGCSA-N 2 2 326.238 1.472 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[N@H+](C)C1CC1 ZINC000138949856 441800553 /nfs/dbraw/zinc/80/05/53/441800553.db2.gz JXSQLWYTMVIEGJ-CABCVRRESA-N 2 2 333.480 1.867 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](Cc3cnc(N(C)C)s3)CC2)c1 ZINC000093079142 441857548 /nfs/dbraw/zinc/85/75/48/441857548.db2.gz HMHHEXYHRDTJMF-UHFFFAOYSA-N 2 2 333.461 1.935 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000093208722 441864924 /nfs/dbraw/zinc/86/49/24/441864924.db2.gz OGFDRRWJYLDURH-SFHVURJKSA-N 2 2 331.460 1.034 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000093208722 441864930 /nfs/dbraw/zinc/86/49/30/441864930.db2.gz OGFDRRWJYLDURH-SFHVURJKSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000077657955 441825316 /nfs/dbraw/zinc/82/53/16/441825316.db2.gz SYONBOMQGOUDAR-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000077657955 441825322 /nfs/dbraw/zinc/82/53/22/441825322.db2.gz SYONBOMQGOUDAR-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP CCOC(=O)C1(C)CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000092823989 441829924 /nfs/dbraw/zinc/82/99/24/441829924.db2.gz SZIFFDYWNPPIMA-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000043311736 441832949 /nfs/dbraw/zinc/83/29/49/441832949.db2.gz MAXGZVTYTPAYGZ-UHFFFAOYSA-N 2 2 327.432 1.801 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000043311736 441832955 /nfs/dbraw/zinc/83/29/55/441832955.db2.gz MAXGZVTYTPAYGZ-UHFFFAOYSA-N 2 2 327.432 1.801 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000122626458 441856730 /nfs/dbraw/zinc/85/67/30/441856730.db2.gz IMMJNBPPNGOKIH-ZDUSSCGKSA-N 2 2 326.238 1.093 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000122626458 441856735 /nfs/dbraw/zinc/85/67/35/441856735.db2.gz IMMJNBPPNGOKIH-ZDUSSCGKSA-N 2 2 326.238 1.093 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@H](O)C3)CC2)c1 ZINC000093332288 441877382 /nfs/dbraw/zinc/87/73/82/441877382.db2.gz OTAXBJMLRIGJHT-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](O)C3)CC2)c1 ZINC000093332288 441877388 /nfs/dbraw/zinc/87/73/88/441877388.db2.gz OTAXBJMLRIGJHT-IEBWSBKVSA-N 2 2 345.487 1.342 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1C ZINC000093821081 441896299 /nfs/dbraw/zinc/89/62/99/441896299.db2.gz NWQSGBHEPOSVPV-QGZVFWFLSA-N 2 2 333.480 1.258 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1C ZINC000093821081 441896303 /nfs/dbraw/zinc/89/63/03/441896303.db2.gz NWQSGBHEPOSVPV-QGZVFWFLSA-N 2 2 333.480 1.258 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000174718073 441957456 /nfs/dbraw/zinc/95/74/56/441957456.db2.gz WXDCGNXSVYFIMA-UHFFFAOYSA-N 2 2 332.492 1.811 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000174718073 441957461 /nfs/dbraw/zinc/95/74/61/441957461.db2.gz WXDCGNXSVYFIMA-UHFFFAOYSA-N 2 2 332.492 1.811 20 0 EDADLP COCc1ccccc1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175600583 442091841 /nfs/dbraw/zinc/09/18/41/442091841.db2.gz UUVVEFNEVNWZTG-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cnn(C)c1 ZINC000162027546 442056564 /nfs/dbraw/zinc/05/65/64/442056564.db2.gz XBKQLYDRKIKZDW-MRXNPFEDSA-N 2 2 344.459 1.982 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000162460509 442095204 /nfs/dbraw/zinc/09/52/04/442095204.db2.gz IKUOJSBNJUMNCD-QGZVFWFLSA-N 2 2 345.443 1.212 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000162460509 442095207 /nfs/dbraw/zinc/09/52/07/442095207.db2.gz IKUOJSBNJUMNCD-QGZVFWFLSA-N 2 2 345.443 1.212 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000079997547 442105643 /nfs/dbraw/zinc/10/56/43/442105643.db2.gz HSTATHOPMLGOEU-PXAZEXFGSA-N 2 2 346.406 1.828 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000079997547 442105645 /nfs/dbraw/zinc/10/56/45/442105645.db2.gz HSTATHOPMLGOEU-PXAZEXFGSA-N 2 2 346.406 1.828 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1 ZINC000127058908 442166474 /nfs/dbraw/zinc/16/64/74/442166474.db2.gz SBCOSDKJMWQCAV-HOTGVXAUSA-N 2 2 349.500 1.844 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000127070044 442167100 /nfs/dbraw/zinc/16/71/00/442167100.db2.gz NPSDCDLNFALYGH-HZPDHXFCSA-N 2 2 341.415 1.250 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000127070044 442167103 /nfs/dbraw/zinc/16/71/03/442167103.db2.gz NPSDCDLNFALYGH-HZPDHXFCSA-N 2 2 341.415 1.250 20 0 EDADLP CCC[C@@H](C)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127169142 442176774 /nfs/dbraw/zinc/17/67/74/442176774.db2.gz SHAQJINDVJOJTL-OAHLLOKOSA-N 2 2 340.493 1.312 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000176287455 442205332 /nfs/dbraw/zinc/20/53/32/442205332.db2.gz NMWRQYPSUJYGCR-DOTOQJQBSA-N 2 2 349.479 1.334 20 0 EDADLP CCC[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000120929176 442153112 /nfs/dbraw/zinc/15/31/12/442153112.db2.gz MKEZVTKJSQJURU-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CCC[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000120929176 442153118 /nfs/dbraw/zinc/15/31/18/442153118.db2.gz MKEZVTKJSQJURU-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000176289375 442206181 /nfs/dbraw/zinc/20/61/81/442206181.db2.gz YOGMTZZWKHEHSR-GOSISDBHSA-N 2 2 349.500 1.505 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CCOC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000176289375 442206182 /nfs/dbraw/zinc/20/61/82/442206182.db2.gz YOGMTZZWKHEHSR-GOSISDBHSA-N 2 2 349.500 1.505 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000176324464 442210032 /nfs/dbraw/zinc/21/00/32/442210032.db2.gz JSOYZXPSLGHNFB-ZACQAIPSSA-N 2 2 325.497 1.817 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC[NH2+]C(C)C)[NH+]2CCOCC2)cc1 ZINC000165672586 442210860 /nfs/dbraw/zinc/21/08/60/442210860.db2.gz JXESUHYYGXQGNY-GOSISDBHSA-N 2 2 333.476 1.873 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000170837920 442273217 /nfs/dbraw/zinc/27/32/17/442273217.db2.gz IVZZMWNQJNRMRI-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000170837920 442273219 /nfs/dbraw/zinc/27/32/19/442273219.db2.gz IVZZMWNQJNRMRI-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000128651366 442280333 /nfs/dbraw/zinc/28/03/33/442280333.db2.gz RDANIYHFQJIWEP-DLBZAZTESA-N 3 2 345.491 1.193 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000128651366 442280335 /nfs/dbraw/zinc/28/03/35/442280335.db2.gz RDANIYHFQJIWEP-DLBZAZTESA-N 3 2 345.491 1.193 20 0 EDADLP OCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000170871802 442281064 /nfs/dbraw/zinc/28/10/64/442281064.db2.gz YJCMMZAFQDTCBN-GOSISDBHSA-N 2 2 332.492 1.688 20 0 EDADLP OCCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000170871802 442281065 /nfs/dbraw/zinc/28/10/65/442281065.db2.gz YJCMMZAFQDTCBN-GOSISDBHSA-N 2 2 332.492 1.688 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2c3ccccc3NC2=O)CC1 ZINC000177133720 442302663 /nfs/dbraw/zinc/30/26/63/442302663.db2.gz FPBNAMOOFRUJCX-INIZCTEOSA-N 2 2 344.459 1.255 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000170764715 442259908 /nfs/dbraw/zinc/25/99/08/442259908.db2.gz PMRMPHILMGVPOH-INIZCTEOSA-N 2 2 347.459 1.568 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000170764715 442259911 /nfs/dbraw/zinc/25/99/11/442259911.db2.gz PMRMPHILMGVPOH-INIZCTEOSA-N 2 2 347.459 1.568 20 0 EDADLP CC1CCC(NC(=O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000177382253 442334919 /nfs/dbraw/zinc/33/49/19/442334919.db2.gz KILYGVGOCQAGAB-UHFFFAOYSA-N 2 2 338.540 1.639 20 0 EDADLP CC1CCC(NC(=O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000177382253 442334921 /nfs/dbraw/zinc/33/49/21/442334921.db2.gz KILYGVGOCQAGAB-UHFFFAOYSA-N 2 2 338.540 1.639 20 0 EDADLP CC1CCC(NC(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000177382253 442334922 /nfs/dbraw/zinc/33/49/22/442334922.db2.gz KILYGVGOCQAGAB-UHFFFAOYSA-N 2 2 338.540 1.639 20 0 EDADLP CC1CCC(NC(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000177382253 442334924 /nfs/dbraw/zinc/33/49/24/442334924.db2.gz KILYGVGOCQAGAB-UHFFFAOYSA-N 2 2 338.540 1.639 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177396490 442336209 /nfs/dbraw/zinc/33/62/09/442336209.db2.gz XNKLLGAGEZOHJD-OAHLLOKOSA-N 2 2 328.420 1.718 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[NH+]1CCSCC1 ZINC000153896863 442309325 /nfs/dbraw/zinc/30/93/25/442309325.db2.gz QNRFORVZGSDBAV-HUUCEWRRSA-N 2 2 336.505 1.639 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000153961929 442313540 /nfs/dbraw/zinc/31/35/40/442313540.db2.gz VQJCQQKDZFCYMQ-HZPDHXFCSA-N 2 2 337.468 1.444 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000153961929 442313544 /nfs/dbraw/zinc/31/35/44/442313544.db2.gz VQJCQQKDZFCYMQ-HZPDHXFCSA-N 2 2 337.468 1.444 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccsc3C(=O)OC)C2)CC1 ZINC000130675502 442353501 /nfs/dbraw/zinc/35/35/01/442353501.db2.gz AERAHECMOYPLLC-OAHLLOKOSA-N 2 2 337.489 1.747 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccsc3C(=O)OC)C2)CC1 ZINC000130675502 442353504 /nfs/dbraw/zinc/35/35/04/442353504.db2.gz AERAHECMOYPLLC-OAHLLOKOSA-N 2 2 337.489 1.747 20 0 EDADLP COc1ccc(CNC(=O)C2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000131570240 442375213 /nfs/dbraw/zinc/37/52/13/442375213.db2.gz RPRPVQOEZASORI-UHFFFAOYSA-N 2 2 342.443 1.920 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177958690 442398101 /nfs/dbraw/zinc/39/81/01/442398101.db2.gz WPGPUBWVORTZLV-HNNXBMFYSA-N 2 2 331.420 1.244 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177958690 442398102 /nfs/dbraw/zinc/39/81/02/442398102.db2.gz WPGPUBWVORTZLV-HNNXBMFYSA-N 2 2 331.420 1.244 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000133305084 442411985 /nfs/dbraw/zinc/41/19/85/442411985.db2.gz PVVFMMBCEMQQNQ-HZPDHXFCSA-N 2 2 347.528 1.987 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000133305084 442411988 /nfs/dbraw/zinc/41/19/88/442411988.db2.gz PVVFMMBCEMQQNQ-HZPDHXFCSA-N 2 2 347.528 1.987 20 0 EDADLP COC(=O)[C@@H](C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000178274802 442420716 /nfs/dbraw/zinc/42/07/16/442420716.db2.gz ZFSBLUSRNVKUPB-HNNXBMFYSA-N 2 2 339.480 1.252 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000133628699 442426891 /nfs/dbraw/zinc/42/68/91/442426891.db2.gz YXTUEGHYLOQVKJ-KZNAEPCWSA-N 3 2 346.523 1.307 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000133628699 442426894 /nfs/dbraw/zinc/42/68/94/442426894.db2.gz YXTUEGHYLOQVKJ-KZNAEPCWSA-N 3 2 346.523 1.307 20 0 EDADLP Cc1noc(C)c1[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000156218059 442455378 /nfs/dbraw/zinc/45/53/78/442455378.db2.gz QJWDKKZGQXQIHG-CYBMUJFWSA-N 2 2 336.480 1.879 20 0 EDADLP Cc1noc(C)c1[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000156218059 442455382 /nfs/dbraw/zinc/45/53/82/442455382.db2.gz QJWDKKZGQXQIHG-CYBMUJFWSA-N 2 2 336.480 1.879 20 0 EDADLP O=c1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2sccn21 ZINC000156403764 442476945 /nfs/dbraw/zinc/47/69/45/442476945.db2.gz FMEMAIDMGPDCSO-CQSZACIVSA-N 2 2 328.397 1.804 20 0 EDADLP O=c1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2sccn21 ZINC000156403764 442476949 /nfs/dbraw/zinc/47/69/49/442476949.db2.gz FMEMAIDMGPDCSO-CQSZACIVSA-N 2 2 328.397 1.804 20 0 EDADLP O=C([C@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1ccccc1)N1CCCCC1 ZINC000179008032 442551717 /nfs/dbraw/zinc/55/17/17/442551717.db2.gz MMNMLUHIYPGRTK-RBUKOAKNSA-N 2 2 342.487 1.330 20 0 EDADLP Cc1cc(C)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)c1 ZINC000172696994 442522743 /nfs/dbraw/zinc/52/27/43/442522743.db2.gz NZALUEZDLMHERS-SFHVURJKSA-N 2 2 345.487 1.635 20 0 EDADLP CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000172698128 442523224 /nfs/dbraw/zinc/52/32/24/442523224.db2.gz XSOQBMPNLDRVIP-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000157185426 442558168 /nfs/dbraw/zinc/55/81/68/442558168.db2.gz HBJSLXJJKAJNKV-GOSISDBHSA-N 2 2 344.459 1.786 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3C[NH2+]CC[C@H]3C)cn2c1 ZINC000186672513 442587390 /nfs/dbraw/zinc/58/73/90/442587390.db2.gz ONAQMESFZYOKKL-HIFRSBDPSA-N 2 2 332.473 1.990 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000157485873 442587902 /nfs/dbraw/zinc/58/79/02/442587902.db2.gz CZNDVUGETSPZMB-QGZVFWFLSA-N 2 2 330.432 1.744 20 0 EDADLP CC(C)C(=O)NCCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000157515508 442590286 /nfs/dbraw/zinc/59/02/86/442590286.db2.gz PWEDMQLAPZDVEW-UHFFFAOYSA-N 2 2 339.403 1.785 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000186974327 442638725 /nfs/dbraw/zinc/63/87/25/442638725.db2.gz KXFFFIGZQCSVPI-UHFFFAOYSA-N 2 2 330.407 1.883 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC000135912523 442640459 /nfs/dbraw/zinc/64/04/59/442640459.db2.gz OFAGJLNXQXCICC-SJORKVTESA-N 2 2 326.444 1.735 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158067933 442643326 /nfs/dbraw/zinc/64/33/26/442643326.db2.gz YSCJQTVGBZENHS-LSDHHAIUSA-N 2 2 332.448 1.997 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158067933 442643330 /nfs/dbraw/zinc/64/33/30/442643330.db2.gz YSCJQTVGBZENHS-LSDHHAIUSA-N 2 2 332.448 1.997 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158067933 442643335 /nfs/dbraw/zinc/64/33/35/442643335.db2.gz YSCJQTVGBZENHS-LSDHHAIUSA-N 2 2 332.448 1.997 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158067933 442643340 /nfs/dbraw/zinc/64/33/40/442643340.db2.gz YSCJQTVGBZENHS-LSDHHAIUSA-N 2 2 332.448 1.997 20 0 EDADLP CCCCCNC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283028 442733351 /nfs/dbraw/zinc/73/33/51/442733351.db2.gz JHQSBLHIDVPWJV-HXUWFJFHSA-N 2 2 347.503 1.862 20 0 EDADLP CCCCCNC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283028 442733354 /nfs/dbraw/zinc/73/33/54/442733354.db2.gz JHQSBLHIDVPWJV-HXUWFJFHSA-N 2 2 347.503 1.862 20 0 EDADLP CCCCCNC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188283028 442733355 /nfs/dbraw/zinc/73/33/55/442733355.db2.gz JHQSBLHIDVPWJV-HXUWFJFHSA-N 2 2 347.503 1.862 20 0 EDADLP CCCCCNC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188283028 442733358 /nfs/dbraw/zinc/73/33/58/442733358.db2.gz JHQSBLHIDVPWJV-HXUWFJFHSA-N 2 2 347.503 1.862 20 0 EDADLP C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000193345592 442734581 /nfs/dbraw/zinc/73/45/81/442734581.db2.gz ZNWBEIVTAKYXPM-GDBMZVCRSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000193345592 442734583 /nfs/dbraw/zinc/73/45/83/442734583.db2.gz ZNWBEIVTAKYXPM-GDBMZVCRSA-N 2 2 325.497 1.722 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn4ccnc4s3)CC2)CC1 ZINC000188400567 442746793 /nfs/dbraw/zinc/74/67/93/442746793.db2.gz DUTQJTMHBUETAN-UHFFFAOYSA-N 2 2 347.488 1.684 20 0 EDADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000246319925 442772389 /nfs/dbraw/zinc/77/23/89/442772389.db2.gz NYQOPQVIBLNHFE-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000246319925 442772391 /nfs/dbraw/zinc/77/23/91/442772391.db2.gz NYQOPQVIBLNHFE-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265465034 442782951 /nfs/dbraw/zinc/78/29/51/442782951.db2.gz GTSXGDTUHGYHDK-UHFFFAOYSA-N 2 2 328.416 1.914 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C3(C(N)=O)CCCCC3)c2cc1C ZINC000268016043 442818541 /nfs/dbraw/zinc/81/85/41/442818541.db2.gz TXQNRDIWFZTLNM-HNNXBMFYSA-N 2 2 344.459 1.792 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)NCCC(C)(C)C)C2)CC1 ZINC000182904330 442845815 /nfs/dbraw/zinc/84/58/15/442845815.db2.gz NRYUEWVQJYUAHI-KRWDZBQOSA-N 2 2 338.540 1.641 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NCCC(C)(C)C)C2)CC1 ZINC000182904330 442845816 /nfs/dbraw/zinc/84/58/16/442845816.db2.gz NRYUEWVQJYUAHI-KRWDZBQOSA-N 2 2 338.540 1.641 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247812259 442868695 /nfs/dbraw/zinc/86/86/95/442868695.db2.gz VFMXBQOTYHHNIO-IXDOHACOSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247812259 442868697 /nfs/dbraw/zinc/86/86/97/442868697.db2.gz VFMXBQOTYHHNIO-IXDOHACOSA-N 2 2 339.528 1.042 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)C[NH+]3CCOCC3)CC2)[nH+]c1 ZINC000194160666 442854447 /nfs/dbraw/zinc/85/44/47/442854447.db2.gz OMRAGCAETBUYQI-MRXNPFEDSA-N 2 2 346.475 1.443 20 0 EDADLP C[C@H](C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000194755210 442950158 /nfs/dbraw/zinc/95/01/58/442950158.db2.gz AUFFVLLVODJUEU-BPKGMFCQSA-N 2 2 325.497 1.815 20 0 EDADLP C[C@H](C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000194755210 442950160 /nfs/dbraw/zinc/95/01/60/442950160.db2.gz AUFFVLLVODJUEU-BPKGMFCQSA-N 2 2 325.497 1.815 20 0 EDADLP C[C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000194755210 442950161 /nfs/dbraw/zinc/95/01/61/442950161.db2.gz AUFFVLLVODJUEU-BPKGMFCQSA-N 2 2 325.497 1.815 20 0 EDADLP C[C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000194755210 442950163 /nfs/dbraw/zinc/95/01/63/442950163.db2.gz AUFFVLLVODJUEU-BPKGMFCQSA-N 2 2 325.497 1.815 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]nnc2c1 ZINC000195122454 442985185 /nfs/dbraw/zinc/98/51/85/442985185.db2.gz KOMCPBGBXYIELU-OAHLLOKOSA-N 2 2 344.463 1.446 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]nnc2c1 ZINC000195122454 442985188 /nfs/dbraw/zinc/98/51/88/442985188.db2.gz KOMCPBGBXYIELU-OAHLLOKOSA-N 2 2 344.463 1.446 20 0 EDADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000184078646 442989578 /nfs/dbraw/zinc/98/95/78/442989578.db2.gz ZBSFGUQSNWRGNP-UHFFFAOYSA-N 2 2 346.353 1.272 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C1 ZINC000189699991 442995709 /nfs/dbraw/zinc/99/57/09/442995709.db2.gz MUXSYNWKIZKMMJ-PBHICJAKSA-N 2 2 337.489 1.303 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2CN(S(C)(=O)=O)C2)C1 ZINC000189699991 442995713 /nfs/dbraw/zinc/99/57/13/442995713.db2.gz MUXSYNWKIZKMMJ-PBHICJAKSA-N 2 2 337.489 1.303 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000253357676 443050160 /nfs/dbraw/zinc/05/01/60/443050160.db2.gz DVGISOYDUZIWBR-MSOLQXFVSA-N 2 2 333.476 1.762 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000253357676 443050163 /nfs/dbraw/zinc/05/01/63/443050163.db2.gz DVGISOYDUZIWBR-MSOLQXFVSA-N 2 2 333.476 1.762 20 0 EDADLP CC(=O)N1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@H](C)C1 ZINC000268620485 443054707 /nfs/dbraw/zinc/05/47/07/443054707.db2.gz ADLSUEPCYWCEIE-DOTOQJQBSA-N 2 2 344.459 1.567 20 0 EDADLP CC(=O)N1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@@H](C)C1 ZINC000268620485 443054710 /nfs/dbraw/zinc/05/47/10/443054710.db2.gz ADLSUEPCYWCEIE-DOTOQJQBSA-N 2 2 344.459 1.567 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000184959169 443106456 /nfs/dbraw/zinc/10/64/56/443106456.db2.gz XTGJZZZWNKBIMS-OAHLLOKOSA-N 2 2 346.479 1.349 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184977856 443110437 /nfs/dbraw/zinc/11/04/37/443110437.db2.gz WMSAGCJYWQIEPF-CQSZACIVSA-N 2 2 334.468 1.347 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000184977856 443110439 /nfs/dbraw/zinc/11/04/39/443110439.db2.gz WMSAGCJYWQIEPF-CQSZACIVSA-N 2 2 334.468 1.347 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000185354713 443188932 /nfs/dbraw/zinc/18/89/32/443188932.db2.gz KAGRIHCRBGXOHP-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000185354713 443188934 /nfs/dbraw/zinc/18/89/34/443188934.db2.gz KAGRIHCRBGXOHP-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000185354713 443188936 /nfs/dbraw/zinc/18/89/36/443188936.db2.gz KAGRIHCRBGXOHP-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000185354713 443188938 /nfs/dbraw/zinc/18/89/38/443188938.db2.gz KAGRIHCRBGXOHP-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCN1C ZINC000268949880 443157223 /nfs/dbraw/zinc/15/72/23/443157223.db2.gz VBLRGLLGWMOUSI-HOJAQTOUSA-N 2 2 330.520 1.732 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCN1C ZINC000268949880 443157226 /nfs/dbraw/zinc/15/72/26/443157226.db2.gz VBLRGLLGWMOUSI-HOJAQTOUSA-N 2 2 330.520 1.732 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1C[NH+](C)CCN1C ZINC000268949880 443157229 /nfs/dbraw/zinc/15/72/29/443157229.db2.gz VBLRGLLGWMOUSI-HOJAQTOUSA-N 2 2 330.520 1.732 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1C[NH+](C)CCN1C ZINC000268949880 443157232 /nfs/dbraw/zinc/15/72/32/443157232.db2.gz VBLRGLLGWMOUSI-HOJAQTOUSA-N 2 2 330.520 1.732 20 0 EDADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)OCCO2 ZINC000268970701 443162773 /nfs/dbraw/zinc/16/27/73/443162773.db2.gz ZIHOSYQYYGVUCH-HOTGVXAUSA-N 2 2 347.459 1.838 20 0 EDADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)OCCO2 ZINC000268970701 443162777 /nfs/dbraw/zinc/16/27/77/443162777.db2.gz ZIHOSYQYYGVUCH-HOTGVXAUSA-N 2 2 347.459 1.838 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000245415048 443225044 /nfs/dbraw/zinc/22/50/44/443225044.db2.gz CWXXWRJYHKQOEW-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000245415048 443225050 /nfs/dbraw/zinc/22/50/50/443225050.db2.gz CWXXWRJYHKQOEW-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000245415048 443225056 /nfs/dbraw/zinc/22/50/56/443225056.db2.gz CWXXWRJYHKQOEW-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000245415048 443225058 /nfs/dbraw/zinc/22/50/58/443225058.db2.gz CWXXWRJYHKQOEW-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000245432243 443226960 /nfs/dbraw/zinc/22/69/60/443226960.db2.gz OMNHYFKPHUNCSV-WMZOPIPTSA-N 3 2 338.540 1.638 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000245432243 443226965 /nfs/dbraw/zinc/22/69/65/443226965.db2.gz OMNHYFKPHUNCSV-WMZOPIPTSA-N 3 2 338.540 1.638 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000245432243 443226970 /nfs/dbraw/zinc/22/69/70/443226970.db2.gz OMNHYFKPHUNCSV-WMZOPIPTSA-N 3 2 338.540 1.638 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000245432243 443226972 /nfs/dbraw/zinc/22/69/72/443226972.db2.gz OMNHYFKPHUNCSV-WMZOPIPTSA-N 3 2 338.540 1.638 20 0 EDADLP CCOCCCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269215088 443235948 /nfs/dbraw/zinc/23/59/48/443235948.db2.gz DCSLKYYBSVTLRX-SFHVURJKSA-N 2 2 344.459 1.734 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2cccnc2)C1 ZINC000245707600 443246403 /nfs/dbraw/zinc/24/64/03/443246403.db2.gz OOZSKOIUWALUQG-SJLPKXTDSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2cccnc2)C1 ZINC000245707600 443246406 /nfs/dbraw/zinc/24/64/06/443246406.db2.gz OOZSKOIUWALUQG-SJLPKXTDSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H](C)c2cccnc2)C1 ZINC000245707600 443246409 /nfs/dbraw/zinc/24/64/09/443246409.db2.gz OOZSKOIUWALUQG-SJLPKXTDSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)C1 ZINC000245707600 443246413 /nfs/dbraw/zinc/24/64/13/443246413.db2.gz OOZSKOIUWALUQG-SJLPKXTDSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)C1 ZINC000351268139 319098539 /nfs/dbraw/zinc/09/85/39/319098539.db2.gz JDYUYDXMUDQEGQ-MJBXVCDLSA-N 2 2 333.436 1.707 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)C1 ZINC000351268139 319098544 /nfs/dbraw/zinc/09/85/44/319098544.db2.gz JDYUYDXMUDQEGQ-MJBXVCDLSA-N 2 2 333.436 1.707 20 0 EDADLP CO[C@H](CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C(C)C ZINC000269249474 443250210 /nfs/dbraw/zinc/25/02/10/443250210.db2.gz RTBKXIHLYSLSLA-ZWKOTPCHSA-N 2 2 344.459 1.588 20 0 EDADLP C[N@H+](Cc1ccnc(N)c1)[C@H]1CCC[NH+](Cc2ccnc(N)c2)CC1 ZINC000411398158 319182465 /nfs/dbraw/zinc/18/24/65/319182465.db2.gz AYZRZTFDCALHLP-KRWDZBQOSA-N 2 2 340.475 1.788 20 0 EDADLP C[N@@H+](Cc1ccnc(N)c1)[C@H]1CCC[NH+](Cc2ccnc(N)c2)CC1 ZINC000411398158 319182466 /nfs/dbraw/zinc/18/24/66/319182466.db2.gz AYZRZTFDCALHLP-KRWDZBQOSA-N 2 2 340.475 1.788 20 0 EDADLP C[NH+](Cc1ccnc(N)c1)[C@H]1CCC[N@H+](Cc2ccnc(N)c2)CC1 ZINC000411398158 319182468 /nfs/dbraw/zinc/18/24/68/319182468.db2.gz AYZRZTFDCALHLP-KRWDZBQOSA-N 2 2 340.475 1.788 20 0 EDADLP C[NH+](Cc1ccnc(N)c1)[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)CC1 ZINC000411398158 319182470 /nfs/dbraw/zinc/18/24/70/319182470.db2.gz AYZRZTFDCALHLP-KRWDZBQOSA-N 2 2 340.475 1.788 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000412002710 319220783 /nfs/dbraw/zinc/22/07/83/319220783.db2.gz UYLNFOIESUDCOX-LJQANCHMSA-N 2 2 343.471 1.614 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000412002710 319220786 /nfs/dbraw/zinc/22/07/86/319220786.db2.gz UYLNFOIESUDCOX-LJQANCHMSA-N 2 2 343.471 1.614 20 0 EDADLP C[C@@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415127715 319346994 /nfs/dbraw/zinc/34/69/94/319346994.db2.gz SGNJQERQGOTBBN-IEBWSBKVSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415127715 319346995 /nfs/dbraw/zinc/34/69/95/319346995.db2.gz SGNJQERQGOTBBN-IEBWSBKVSA-N 2 2 344.503 1.390 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CC[N@@H+](C)C3)cn2c1 ZINC000264305205 443259059 /nfs/dbraw/zinc/25/90/59/443259059.db2.gz KBFYCOSLSCKAAE-AWEZNQCLSA-N 2 2 332.473 1.944 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CC[N@H+](C)C3)cn2c1 ZINC000264305205 443259062 /nfs/dbraw/zinc/25/90/62/443259062.db2.gz KBFYCOSLSCKAAE-AWEZNQCLSA-N 2 2 332.473 1.944 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000416165649 319395752 /nfs/dbraw/zinc/39/57/52/319395752.db2.gz HDHCOPQQENWLQZ-ZWKOTPCHSA-N 2 2 331.460 1.659 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000416165649 319395755 /nfs/dbraw/zinc/39/57/55/319395755.db2.gz HDHCOPQQENWLQZ-ZWKOTPCHSA-N 2 2 331.460 1.659 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000269303163 443274035 /nfs/dbraw/zinc/27/40/35/443274035.db2.gz ZBNDMBYPFNWSRW-XJKSGUPXSA-N 2 2 347.463 1.640 20 0 EDADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC([N@H+](C)CCO)CC2)cc1 ZINC000264359328 443262196 /nfs/dbraw/zinc/26/21/96/443262196.db2.gz JFZRTNPSNIYWHO-UHFFFAOYSA-N 2 2 347.459 1.606 20 0 EDADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000264359328 443262201 /nfs/dbraw/zinc/26/22/01/443262201.db2.gz JFZRTNPSNIYWHO-UHFFFAOYSA-N 2 2 347.459 1.606 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000416888062 319469438 /nfs/dbraw/zinc/46/94/38/319469438.db2.gz PMIAXZLGVWEXRH-RYQLBKOJSA-N 2 2 346.475 1.499 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000417515045 319496920 /nfs/dbraw/zinc/49/69/20/319496920.db2.gz CIQINYKSWHOPNC-SQWLQELKSA-N 2 2 326.485 1.302 20 0 EDADLP C[C@H]1C[N@@H+]([C@H](CNC(=O)CCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000267107022 443343221 /nfs/dbraw/zinc/34/32/21/443343221.db2.gz MGLSGNKTSCOBMF-LSDHHAIUSA-N 2 2 348.472 1.913 20 0 EDADLP C[C@H]1C[N@H+]([C@H](CNC(=O)CCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000267107022 443343225 /nfs/dbraw/zinc/34/32/25/443343225.db2.gz MGLSGNKTSCOBMF-LSDHHAIUSA-N 2 2 348.472 1.913 20 0 EDADLP Cc1ccn2cc(CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)[nH+]c2c1 ZINC000418850276 319523281 /nfs/dbraw/zinc/52/32/81/319523281.db2.gz PXEIFYPNDDAJSP-HNNXBMFYSA-N 2 2 345.447 1.091 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2noc3ccccc23)CC1 ZINC000267217567 443382060 /nfs/dbraw/zinc/38/20/60/443382060.db2.gz GSEBZKQQYDDHGC-UHFFFAOYSA-N 2 2 330.432 1.513 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)c3c[nH+]ccc3N)C2)nc1 ZINC000423038711 319748663 /nfs/dbraw/zinc/74/86/63/319748663.db2.gz ZCSCZRQDKGZSQS-GFCCVEGCSA-N 2 2 341.415 1.605 20 0 EDADLP O=C1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)CN1CC[NH+]1CCOCC1 ZINC000271504891 443505528 /nfs/dbraw/zinc/50/55/28/443505528.db2.gz NQEKAKRNYNSTKL-KSSFIOAISA-N 2 2 347.434 1.336 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000279098123 443512875 /nfs/dbraw/zinc/51/28/75/443512875.db2.gz UZAPRDBVHOUWGK-KRWDZBQOSA-N 2 2 328.464 1.510 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)CC(C)(C)O ZINC000265163061 443554925 /nfs/dbraw/zinc/55/49/25/443554925.db2.gz RNSGVJGXOXQQHZ-UHFFFAOYSA-N 2 2 347.503 1.732 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)CC(C)(C)O ZINC000265163061 443554928 /nfs/dbraw/zinc/55/49/28/443554928.db2.gz RNSGVJGXOXQQHZ-UHFFFAOYSA-N 2 2 347.503 1.732 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433379745 319978839 /nfs/dbraw/zinc/97/88/39/319978839.db2.gz VUDFTKJVPIWOAS-CQSZACIVSA-N 2 2 343.435 1.220 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000433990717 319990646 /nfs/dbraw/zinc/99/06/46/319990646.db2.gz RCTODTZPORRRMB-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCN(C2CC2)C1=O ZINC000434747288 320001539 /nfs/dbraw/zinc/00/15/39/320001539.db2.gz ONFQZGHCMXEIOO-SZMVWBNQSA-N 2 2 328.460 1.770 20 0 EDADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCN(C2CC2)C1=O ZINC000434747288 320001541 /nfs/dbraw/zinc/00/15/41/320001541.db2.gz ONFQZGHCMXEIOO-SZMVWBNQSA-N 2 2 328.460 1.770 20 0 EDADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1CCN(C2CC2)C1=O ZINC000434747288 320001544 /nfs/dbraw/zinc/00/15/44/320001544.db2.gz ONFQZGHCMXEIOO-SZMVWBNQSA-N 2 2 328.460 1.770 20 0 EDADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1CCN(C2CC2)C1=O ZINC000434747288 320001545 /nfs/dbraw/zinc/00/15/45/320001545.db2.gz ONFQZGHCMXEIOO-SZMVWBNQSA-N 2 2 328.460 1.770 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)C2 ZINC000434871250 320006474 /nfs/dbraw/zinc/00/64/74/320006474.db2.gz VPONBAWTAVMOLS-QWHCGFSZSA-N 2 2 336.505 1.707 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440825714 320081682 /nfs/dbraw/zinc/08/16/82/320081682.db2.gz LDNOSBUEFQFWKG-LBPRGKRZSA-N 2 2 347.385 1.461 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440825714 320081684 /nfs/dbraw/zinc/08/16/84/320081684.db2.gz LDNOSBUEFQFWKG-LBPRGKRZSA-N 2 2 347.385 1.461 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(O)c(F)c1 ZINC000448976269 320169015 /nfs/dbraw/zinc/16/90/15/320169015.db2.gz SRPXWGOUWJFWSL-UHFFFAOYSA-N 2 2 337.439 1.558 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(O)c(F)c1 ZINC000448976269 320169016 /nfs/dbraw/zinc/16/90/16/320169016.db2.gz SRPXWGOUWJFWSL-UHFFFAOYSA-N 2 2 337.439 1.558 20 0 EDADLP C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000449732609 320202898 /nfs/dbraw/zinc/20/28/98/320202898.db2.gz ZWFFRKZHSOGYHP-SMDDNHRTSA-N 2 2 329.366 1.829 20 0 EDADLP C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000449732609 320202901 /nfs/dbraw/zinc/20/29/01/320202901.db2.gz ZWFFRKZHSOGYHP-SMDDNHRTSA-N 2 2 329.366 1.829 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC000456523987 320309187 /nfs/dbraw/zinc/30/91/87/320309187.db2.gz ORIKODHRVJHWPB-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000456523987 320309188 /nfs/dbraw/zinc/30/91/88/320309188.db2.gz ORIKODHRVJHWPB-BBWFWOEESA-N 2 2 325.497 1.819 20 0 EDADLP COc1cccc(CC(=O)N2CC[NH+](CCc3c[nH+]cn3C)CC2)c1 ZINC000459321620 320346566 /nfs/dbraw/zinc/34/65/66/320346566.db2.gz GFFLPQKFKJXHGA-UHFFFAOYSA-N 2 2 342.443 1.358 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000459377903 320347732 /nfs/dbraw/zinc/34/77/32/320347732.db2.gz NEUVBJMNHKIRSJ-HNNXBMFYSA-N 2 2 344.459 1.523 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000459377903 320347733 /nfs/dbraw/zinc/34/77/33/320347733.db2.gz NEUVBJMNHKIRSJ-HNNXBMFYSA-N 2 2 344.459 1.523 20 0 EDADLP CCCN1C(=O)CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@@H]1c1c[nH+]cn1C ZINC000474790618 320353483 /nfs/dbraw/zinc/35/34/83/320353483.db2.gz NWXFVRUFADOKMN-CKEIUWERSA-N 2 2 349.479 1.176 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000492771095 320385549 /nfs/dbraw/zinc/38/55/49/320385549.db2.gz OUCVIOXVWXCABG-KKUMJFAQSA-N 2 2 338.452 1.791 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC(F)(F)C[NH3+] ZINC000514611113 320429695 /nfs/dbraw/zinc/42/96/95/320429695.db2.gz AGWZGVALDYEKNJ-CQSZACIVSA-N 2 2 340.418 1.297 20 0 EDADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCNS(C)(=O)=O ZINC000276444498 443708020 /nfs/dbraw/zinc/70/80/20/443708020.db2.gz LVGSUSZUAHAGQP-INIZCTEOSA-N 2 2 327.494 1.282 20 0 EDADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCNS(C)(=O)=O ZINC000276444498 443708023 /nfs/dbraw/zinc/70/80/23/443708023.db2.gz LVGSUSZUAHAGQP-INIZCTEOSA-N 2 2 327.494 1.282 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000283784395 443717919 /nfs/dbraw/zinc/71/79/19/443717919.db2.gz FVRIVWGMHNYJFL-HOTGVXAUSA-N 2 2 349.479 1.159 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000283784395 443717922 /nfs/dbraw/zinc/71/79/22/443717922.db2.gz FVRIVWGMHNYJFL-HOTGVXAUSA-N 2 2 349.479 1.159 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000298232777 443726112 /nfs/dbraw/zinc/72/61/12/443726112.db2.gz BKFIEICKVNGGCL-GJZGRUSLSA-N 2 2 347.463 1.058 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000527194619 320504796 /nfs/dbraw/zinc/50/47/96/320504796.db2.gz PMRYTARXEBDYLZ-UHFFFAOYSA-N 2 2 344.381 1.884 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](OC)C3CCC3)CC2)CC1 ZINC000616381445 450407464 /nfs/dbraw/zinc/40/74/64/450407464.db2.gz QPZVNPQCNOPCGC-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](OC)C3CCC3)CC2)CC1 ZINC000616381445 450407467 /nfs/dbraw/zinc/40/74/67/450407467.db2.gz QPZVNPQCNOPCGC-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292067420 443775537 /nfs/dbraw/zinc/77/55/37/443775537.db2.gz SODBDSXZBMQNFG-UHFFFAOYSA-N 2 2 329.404 1.877 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C12CCC2)NC1CCN(c2cccc[nH+]2)CC1 ZINC000529288601 320571938 /nfs/dbraw/zinc/57/19/38/320571938.db2.gz CHBKWTSALQOOEJ-HNNXBMFYSA-N 2 2 329.448 1.634 20 0 EDADLP O=C(C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000298625395 443821405 /nfs/dbraw/zinc/82/14/05/443821405.db2.gz JIWJSCIQRFPFJU-CABCVRRESA-N 2 2 345.447 1.160 20 0 EDADLP O=C(C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000298625395 443821406 /nfs/dbraw/zinc/82/14/06/443821406.db2.gz JIWJSCIQRFPFJU-CABCVRRESA-N 2 2 345.447 1.160 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000298628958 443822294 /nfs/dbraw/zinc/82/22/94/443822294.db2.gz JRKARFPUGVGYQC-GJZGRUSLSA-N 2 2 347.463 1.406 20 0 EDADLP C[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000298661005 443832049 /nfs/dbraw/zinc/83/20/49/443832049.db2.gz IUMGJIKHYBPWJZ-SFHVURJKSA-N 2 2 346.475 1.407 20 0 EDADLP C[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000298661005 443832052 /nfs/dbraw/zinc/83/20/52/443832052.db2.gz IUMGJIKHYBPWJZ-SFHVURJKSA-N 2 2 346.475 1.407 20 0 EDADLP Cc1cc(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C)n1C ZINC000531016711 320645754 /nfs/dbraw/zinc/64/57/54/320645754.db2.gz JLODMFGBBAHCKF-UHFFFAOYSA-N 2 2 333.476 1.869 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)cn2c1 ZINC000277043448 443893173 /nfs/dbraw/zinc/89/31/73/443893173.db2.gz MKBVYCVPNMDUCJ-HNNXBMFYSA-N 2 2 338.415 1.694 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[N@H+](C)C1 ZINC000285334405 443945748 /nfs/dbraw/zinc/94/57/48/443945748.db2.gz VRPSKUPYWKZBDR-ROUUACIJSA-N 2 2 342.443 1.723 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[N@@H+](C)C1 ZINC000285334405 443945753 /nfs/dbraw/zinc/94/57/53/443945753.db2.gz VRPSKUPYWKZBDR-ROUUACIJSA-N 2 2 342.443 1.723 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCCCn1cc[nH+]c1)n2C ZINC000540881913 320763052 /nfs/dbraw/zinc/76/30/52/320763052.db2.gz NTQFUFLQXCQZPC-UHFFFAOYSA-N 2 2 327.392 1.051 20 0 EDADLP COC1(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000277089310 443908009 /nfs/dbraw/zinc/90/80/09/443908009.db2.gz VDPMNUUYQKLSDX-SFHVURJKSA-N 2 2 334.460 1.191 20 0 EDADLP COC1(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000277089310 443908011 /nfs/dbraw/zinc/90/80/11/443908011.db2.gz VDPMNUUYQKLSDX-SFHVURJKSA-N 2 2 334.460 1.191 20 0 EDADLP C[C@H]([C@@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288532375 443909288 /nfs/dbraw/zinc/90/92/88/443909288.db2.gz YBUGFTUDHJGHPU-IOASZLSFSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@H]([C@@H]1CCC[N@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288532375 443909292 /nfs/dbraw/zinc/90/92/92/443909292.db2.gz YBUGFTUDHJGHPU-IOASZLSFSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@H]([C@@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288532375 443909297 /nfs/dbraw/zinc/90/92/97/443909297.db2.gz YBUGFTUDHJGHPU-IOASZLSFSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@H]([C@@H]1CCC[N@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288532375 443909302 /nfs/dbraw/zinc/90/93/02/443909302.db2.gz YBUGFTUDHJGHPU-IOASZLSFSA-N 2 2 345.447 1.526 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)[C@@H]1c1ccccc1 ZINC000293068920 443916924 /nfs/dbraw/zinc/91/69/24/443916924.db2.gz SATFFJUVWMQRDA-SJORKVTESA-N 2 2 325.416 1.854 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](C)[S@@](=O)CC3)c2cc1C ZINC000277198074 443934346 /nfs/dbraw/zinc/93/43/46/443934346.db2.gz MJHQQPRNUAIKHM-DXMSMQRWSA-N 2 2 349.500 1.857 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](C)[S@@](=O)CC3)c2cc1C ZINC000277198074 443934351 /nfs/dbraw/zinc/93/43/51/443934351.db2.gz MJHQQPRNUAIKHM-DXMSMQRWSA-N 2 2 349.500 1.857 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000277296072 443954741 /nfs/dbraw/zinc/95/47/41/443954741.db2.gz BVCJGWUUCCTTRM-QGZVFWFLSA-N 2 2 346.475 1.453 20 0 EDADLP CC(C)C[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000548609893 320888437 /nfs/dbraw/zinc/88/84/37/320888437.db2.gz CLCGEWNZGRWMJI-CVEARBPZSA-N 2 2 349.479 1.244 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000293509777 444038717 /nfs/dbraw/zinc/03/87/17/444038717.db2.gz XBOATMSCUAQEKX-ZDUSSCGKSA-N 2 2 346.431 1.362 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000293509777 444038723 /nfs/dbraw/zinc/03/87/23/444038723.db2.gz XBOATMSCUAQEKX-ZDUSSCGKSA-N 2 2 346.431 1.362 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281969375 444051310 /nfs/dbraw/zinc/05/13/10/444051310.db2.gz GSSWPKBLMBRGFO-CYBMUJFWSA-N 2 2 333.436 1.245 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281969375 444051313 /nfs/dbraw/zinc/05/13/13/444051313.db2.gz GSSWPKBLMBRGFO-CYBMUJFWSA-N 2 2 333.436 1.245 20 0 EDADLP Cn1nccc1/C=C/C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000299475173 444055701 /nfs/dbraw/zinc/05/57/01/444055701.db2.gz VJKCYMBARPPQDD-ONEGZZNKSA-N 2 2 331.464 1.108 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000556058606 320975459 /nfs/dbraw/zinc/97/54/59/320975459.db2.gz AGTFAJCBMMXXDY-QGZVFWFLSA-N 2 2 348.472 1.978 20 0 EDADLP CSCc1cnc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000293643319 444078004 /nfs/dbraw/zinc/07/80/04/444078004.db2.gz RWQXNXHNQUCUDJ-GFCCVEGCSA-N 2 2 328.507 1.436 20 0 EDADLP CSCc1cnc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000293643319 444078006 /nfs/dbraw/zinc/07/80/06/444078006.db2.gz RWQXNXHNQUCUDJ-GFCCVEGCSA-N 2 2 328.507 1.436 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000558488544 321015306 /nfs/dbraw/zinc/01/53/06/321015306.db2.gz UPBZYWFHAUTVTP-UHFFFAOYSA-N 2 2 346.460 1.497 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000561219396 321036907 /nfs/dbraw/zinc/03/69/07/321036907.db2.gz XTHZDRYJIFCXKO-JKSUJKDBSA-N 2 2 326.400 1.727 20 0 EDADLP Cc1nc(CC[N@@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)no1 ZINC000299585643 444086691 /nfs/dbraw/zinc/08/66/91/444086691.db2.gz JLHIBJKVTBTRGY-HNNXBMFYSA-N 2 2 343.431 1.880 20 0 EDADLP Cc1nc(CC[N@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)no1 ZINC000299585643 444086695 /nfs/dbraw/zinc/08/66/95/444086695.db2.gz JLHIBJKVTBTRGY-HNNXBMFYSA-N 2 2 343.431 1.880 20 0 EDADLP c1csc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2nc[nH]n2)c1 ZINC000562955572 321083078 /nfs/dbraw/zinc/08/30/78/321083078.db2.gz BVZAFUDJCMEPKY-OAHLLOKOSA-N 2 2 341.444 1.872 20 0 EDADLP CN(C)c1c(Cl)cccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563415118 321109592 /nfs/dbraw/zinc/10/95/92/321109592.db2.gz FUGOLKTXLMKPIR-LLVKDONJSA-N 2 2 325.844 1.513 20 0 EDADLP CN(C)c1c(Cl)cccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563415118 321109593 /nfs/dbraw/zinc/10/95/93/321109593.db2.gz FUGOLKTXLMKPIR-LLVKDONJSA-N 2 2 325.844 1.513 20 0 EDADLP c1nc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccccc2)n[nH]1 ZINC000564822034 321149945 /nfs/dbraw/zinc/14/99/45/321149945.db2.gz BLZNLYBRDOZHJC-KRWDZBQOSA-N 2 2 335.415 1.811 20 0 EDADLP COc1cccc2c1C[C@H]([NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000564860616 321152655 /nfs/dbraw/zinc/15/26/55/321152655.db2.gz RZCJKWAVISVTRG-WTTBNOFXSA-N 2 2 334.460 1.222 20 0 EDADLP COc1cccc2c1C[C@H]([NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000564860616 321152656 /nfs/dbraw/zinc/15/26/56/321152656.db2.gz RZCJKWAVISVTRG-WTTBNOFXSA-N 2 2 334.460 1.222 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000564943292 321159155 /nfs/dbraw/zinc/15/91/55/321159155.db2.gz ZHOQROJPVIMJFJ-WBVHZDCISA-N 2 2 347.459 1.468 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000564943292 321159156 /nfs/dbraw/zinc/15/91/56/321159156.db2.gz ZHOQROJPVIMJFJ-WBVHZDCISA-N 2 2 347.459 1.468 20 0 EDADLP C[C@@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)n1cc[nH+]c1 ZINC000565049486 321167157 /nfs/dbraw/zinc/16/71/57/321167157.db2.gz UQVRXEAWAYVALP-XNHLSEOASA-N 2 2 345.491 1.604 20 0 EDADLP C[C@@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)n1cc[nH+]c1 ZINC000565049486 321167159 /nfs/dbraw/zinc/16/71/59/321167159.db2.gz UQVRXEAWAYVALP-XNHLSEOASA-N 2 2 345.491 1.604 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)n1cc[nH+]c1 ZINC000565049486 321167161 /nfs/dbraw/zinc/16/71/61/321167161.db2.gz UQVRXEAWAYVALP-XNHLSEOASA-N 3 2 345.491 1.604 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)n1cc[nH+]c1 ZINC000565049486 321167163 /nfs/dbraw/zinc/16/71/63/321167163.db2.gz UQVRXEAWAYVALP-XNHLSEOASA-N 3 2 345.491 1.604 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000565249648 321179805 /nfs/dbraw/zinc/17/98/05/321179805.db2.gz FDJPFUZMEIUAKO-IRXDYDNUSA-N 2 2 332.448 1.029 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000565321456 321182151 /nfs/dbraw/zinc/18/21/51/321182151.db2.gz LEMNQMIIWOGQBY-FUHWJXTLSA-N 2 2 331.460 1.518 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000565321456 321182152 /nfs/dbraw/zinc/18/21/52/321182152.db2.gz LEMNQMIIWOGQBY-FUHWJXTLSA-N 2 2 331.460 1.518 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3c(C4CC4)nc4sccn34)CCN2C1=O ZINC000565608565 321193805 /nfs/dbraw/zinc/19/38/05/321193805.db2.gz HVNSNSUAOKPZHD-NWDGAFQWSA-N 2 2 331.445 1.017 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)CCN2C1=O ZINC000565608565 321193807 /nfs/dbraw/zinc/19/38/07/321193807.db2.gz HVNSNSUAOKPZHD-NWDGAFQWSA-N 2 2 331.445 1.017 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000565769325 321200330 /nfs/dbraw/zinc/20/03/30/321200330.db2.gz RRQSPZGEKADCRO-ATLSCFEFSA-N 2 2 331.460 1.533 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ccc(F)cc2F)C[C@@H](C)O1 ZINC000567692389 321253218 /nfs/dbraw/zinc/25/32/18/321253218.db2.gz SANHHMRWPGASJW-IOASZLSFSA-N 2 2 328.403 1.567 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568188577 321279675 /nfs/dbraw/zinc/27/96/75/321279675.db2.gz LRBZIPSYFKWOLN-HZPDHXFCSA-N 2 2 338.883 1.305 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568188577 321279676 /nfs/dbraw/zinc/27/96/76/321279676.db2.gz LRBZIPSYFKWOLN-HZPDHXFCSA-N 2 2 338.883 1.305 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(C4CC4)nn3C)C2)CC1 ZINC000571321437 321382290 /nfs/dbraw/zinc/38/22/90/321382290.db2.gz WHWBACLJPFWQLC-INIZCTEOSA-N 2 2 332.496 1.293 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(C4CC4)nn3C)C2)CC1 ZINC000571321437 321382292 /nfs/dbraw/zinc/38/22/92/321382292.db2.gz WHWBACLJPFWQLC-INIZCTEOSA-N 2 2 332.496 1.293 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000289322780 444107569 /nfs/dbraw/zinc/10/75/69/444107569.db2.gz KEBGYXKTNWQVLY-MRXNPFEDSA-N 2 2 340.427 1.900 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000289322780 444107573 /nfs/dbraw/zinc/10/75/73/444107573.db2.gz KEBGYXKTNWQVLY-MRXNPFEDSA-N 2 2 340.427 1.900 20 0 EDADLP Cc1cccc(NC[C@H]2CCN(c3cc(NC[C@H](C)O)[nH+]cn3)C2)[nH+]1 ZINC000294414489 444116080 /nfs/dbraw/zinc/11/60/80/444116080.db2.gz OANIFIWGEIPHRA-LSDHHAIUSA-N 2 2 342.447 1.911 20 0 EDADLP Cc1cccc(NC[C@H]2CCN(c3cc(NC[C@H](C)O)nc[nH+]3)C2)[nH+]1 ZINC000294414489 444116084 /nfs/dbraw/zinc/11/60/84/444116084.db2.gz OANIFIWGEIPHRA-LSDHHAIUSA-N 2 2 342.447 1.911 20 0 EDADLP Cc1cccc(NC[C@@H]2CCN(c3cc(NC[C@H](C)O)[nH+]cn3)C2)[nH+]1 ZINC000294414480 444116680 /nfs/dbraw/zinc/11/66/80/444116680.db2.gz OANIFIWGEIPHRA-GJZGRUSLSA-N 2 2 342.447 1.911 20 0 EDADLP Cc1cccc(NC[C@@H]2CCN(c3cc(NC[C@H](C)O)nc[nH+]3)C2)[nH+]1 ZINC000294414480 444116683 /nfs/dbraw/zinc/11/66/83/444116683.db2.gz OANIFIWGEIPHRA-GJZGRUSLSA-N 2 2 342.447 1.911 20 0 EDADLP C[C@H](NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)[C@H](C)[NH+]1CCOCC1 ZINC000572261400 321423060 /nfs/dbraw/zinc/42/30/60/321423060.db2.gz BGXJGSAINXELTH-MPGHIAIKSA-N 2 2 346.475 1.282 20 0 EDADLP Cc1cc(N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c2cc(F)ccc2[nH+]1 ZINC000282272494 444132986 /nfs/dbraw/zinc/13/29/86/444132986.db2.gz OVQFPDSKACWETK-CQSZACIVSA-N 2 2 346.406 1.305 20 0 EDADLP Cc1cc(N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c2cc(F)ccc2[nH+]1 ZINC000282272494 444132987 /nfs/dbraw/zinc/13/29/87/444132987.db2.gz OVQFPDSKACWETK-CQSZACIVSA-N 2 2 346.406 1.305 20 0 EDADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000285919143 444153140 /nfs/dbraw/zinc/15/31/40/444153140.db2.gz LKNRAXMHNMBEBP-KBPBESRZSA-N 2 2 343.387 1.303 20 0 EDADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000285919143 444153141 /nfs/dbraw/zinc/15/31/41/444153141.db2.gz LKNRAXMHNMBEBP-KBPBESRZSA-N 2 2 343.387 1.303 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000295161430 444167327 /nfs/dbraw/zinc/16/73/27/444167327.db2.gz KNRPOBSKHMWKLG-HNNXBMFYSA-N 2 2 349.475 1.736 20 0 EDADLP CC[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[N@@H+]1C[C@@H](C)O ZINC000301394026 444168663 /nfs/dbraw/zinc/16/86/63/444168663.db2.gz CYGUTRFNCINHHG-CVEARBPZSA-N 2 2 333.480 1.748 20 0 EDADLP CC[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[N@H+]1C[C@@H](C)O ZINC000301394026 444168666 /nfs/dbraw/zinc/16/86/66/444168666.db2.gz CYGUTRFNCINHHG-CVEARBPZSA-N 2 2 333.480 1.748 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000296233120 444214542 /nfs/dbraw/zinc/21/45/42/444214542.db2.gz KSXPWPADTGAREH-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000296233120 444214544 /nfs/dbraw/zinc/21/45/44/444214544.db2.gz KSXPWPADTGAREH-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H](C)[NH2+]C2CC2)[NH+]2CCOCC2)c1 ZINC000296268478 444216057 /nfs/dbraw/zinc/21/60/57/444216057.db2.gz DPRZLKZSZJRQCW-YJBOKZPZSA-N 2 2 331.460 1.625 20 0 EDADLP C[C@H]1CN(c2ccc(CNc3nc(N(C)C)cc[nH+]3)c[nH+]2)CCO1 ZINC000301695247 444185640 /nfs/dbraw/zinc/18/56/40/444185640.db2.gz PJPGOCWQPQOQFH-ZDUSSCGKSA-N 2 2 328.420 1.775 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2cncc3ncnn32)CC1 ZINC000289668752 444188552 /nfs/dbraw/zinc/18/85/52/444188552.db2.gz MGYIXPAGYGVLBN-UHFFFAOYSA-N 2 2 337.431 1.583 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000289679099 444189517 /nfs/dbraw/zinc/18/95/17/444189517.db2.gz HNTZBVPVTVBBOW-BBRMVZONSA-N 2 2 339.867 1.516 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNc2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000301939990 444197661 /nfs/dbraw/zinc/19/76/61/444197661.db2.gz TZBGVLKHYPSKQJ-CQSZACIVSA-N 2 2 336.484 1.830 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNc2nc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000301939990 444197663 /nfs/dbraw/zinc/19/76/63/444197663.db2.gz TZBGVLKHYPSKQJ-CQSZACIVSA-N 2 2 336.484 1.830 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302855681 444228001 /nfs/dbraw/zinc/22/80/01/444228001.db2.gz RUKUKKSRAKSBPH-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP CC[N@H+](CCN1CCNC1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000290426988 444279201 /nfs/dbraw/zinc/27/92/01/444279201.db2.gz UYIWZYBGEIZQMP-UHFFFAOYSA-N 2 2 331.464 1.645 20 0 EDADLP CC[N@@H+](CCN1CCNC1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000290426988 444279203 /nfs/dbraw/zinc/27/92/03/444279203.db2.gz UYIWZYBGEIZQMP-UHFFFAOYSA-N 2 2 331.464 1.645 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340506842 444415985 /nfs/dbraw/zinc/41/59/85/444415985.db2.gz UKXPPFLCPCOZOM-ROUUACIJSA-N 2 2 329.448 1.066 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340506842 444415990 /nfs/dbraw/zinc/41/59/90/444415990.db2.gz UKXPPFLCPCOZOM-ROUUACIJSA-N 2 2 329.448 1.066 20 0 EDADLP O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1[nH+]ccn1Cc1ccccc1 ZINC000578864591 321844610 /nfs/dbraw/zinc/84/46/10/321844610.db2.gz OMVMGLYOTYVBEN-UHFFFAOYSA-N 2 2 339.399 1.105 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000298028877 444391691 /nfs/dbraw/zinc/39/16/91/444391691.db2.gz FECDWTDKXPIRHE-CQSZACIVSA-N 2 2 343.431 1.509 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000298028877 444391696 /nfs/dbraw/zinc/39/16/96/444391696.db2.gz FECDWTDKXPIRHE-CQSZACIVSA-N 2 2 343.431 1.509 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2C(F)F)([NH+]2CCCCC2)CC1 ZINC000337955689 444470416 /nfs/dbraw/zinc/47/04/16/444470416.db2.gz PUVWHAQPWNKREI-UONOGXRCSA-N 2 2 329.435 1.954 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC([NH+]3CCCCC3)CC2)nc[nH+]1 ZINC000329098278 444472087 /nfs/dbraw/zinc/47/20/87/444472087.db2.gz CPRWFTTZMQMBFF-KRWDZBQOSA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC([NH+]3CCCCC3)CC2)[nH+]cn1 ZINC000329098278 444472089 /nfs/dbraw/zinc/47/20/89/444472089.db2.gz CPRWFTTZMQMBFF-KRWDZBQOSA-N 2 2 345.491 1.892 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)CCc1c[nH+]c[nH]1 ZINC000329012905 444444528 /nfs/dbraw/zinc/44/45/28/444444528.db2.gz PDPCOKOBAWDIOY-KBXCAEBGSA-N 2 2 344.463 1.617 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)CCc1c[nH+]c[nH]1 ZINC000329012905 444444533 /nfs/dbraw/zinc/44/45/33/444444533.db2.gz PDPCOKOBAWDIOY-KBXCAEBGSA-N 2 2 344.463 1.617 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)CCc1c[nH]c[nH+]1 ZINC000329012905 444444537 /nfs/dbraw/zinc/44/45/37/444444537.db2.gz PDPCOKOBAWDIOY-KBXCAEBGSA-N 2 2 344.463 1.617 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)CCc1c[nH]c[nH+]1 ZINC000329012905 444444541 /nfs/dbraw/zinc/44/45/41/444444541.db2.gz PDPCOKOBAWDIOY-KBXCAEBGSA-N 2 2 344.463 1.617 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000340723716 444489582 /nfs/dbraw/zinc/48/95/82/444489582.db2.gz HTZIUCNVHMOACK-UHFFFAOYSA-N 2 2 347.507 1.575 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000340723716 444489584 /nfs/dbraw/zinc/48/95/84/444489584.db2.gz HTZIUCNVHMOACK-UHFFFAOYSA-N 2 2 347.507 1.575 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CCCO1 ZINC000331921142 444491430 /nfs/dbraw/zinc/49/14/30/444491430.db2.gz CFMUQQTYZIJEDJ-BZUAXINKSA-N 2 2 332.510 1.433 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CCCO1 ZINC000331921142 444491431 /nfs/dbraw/zinc/49/14/31/444491431.db2.gz CFMUQQTYZIJEDJ-BZUAXINKSA-N 2 2 332.510 1.433 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000332002091 444495147 /nfs/dbraw/zinc/49/51/47/444495147.db2.gz BXBHGZBTLSFDEB-GJZGRUSLSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccc3[nH]ccc3c2)C[C@H](C)O1 ZINC000580305835 322033780 /nfs/dbraw/zinc/03/37/80/322033780.db2.gz WUTIADCHDISGNJ-RVKKMQEKSA-N 2 2 331.460 1.770 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccc3[nH]ccc3c2)C[C@H](C)O1 ZINC000580305835 322033781 /nfs/dbraw/zinc/03/37/81/322033781.db2.gz WUTIADCHDISGNJ-RVKKMQEKSA-N 2 2 331.460 1.770 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](C)C1)C(F)(F)F ZINC000580568261 322069313 /nfs/dbraw/zinc/06/93/13/322069313.db2.gz AXDAOADXPUBLJQ-VXGBXAGGSA-N 2 2 332.370 1.914 20 0 EDADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000580639974 322076668 /nfs/dbraw/zinc/07/66/68/322076668.db2.gz XZRAJHATVVEUTM-IGKNDFSCSA-N 2 2 334.485 1.887 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000580822911 322099365 /nfs/dbraw/zinc/09/93/65/322099365.db2.gz UQVLTARZEFNVDS-BRWVUGGUSA-N 2 2 332.448 1.191 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000580822911 322099368 /nfs/dbraw/zinc/09/93/68/322099368.db2.gz UQVLTARZEFNVDS-BRWVUGGUSA-N 2 2 332.448 1.191 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000580890370 322108802 /nfs/dbraw/zinc/10/88/02/322108802.db2.gz JTEODWAFWXBBJR-HOCLYGCPSA-N 2 2 348.491 1.947 20 0 EDADLP CCSc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000580948404 322115953 /nfs/dbraw/zinc/11/59/53/322115953.db2.gz XRFQRJBXIZLTQX-DZKIICNBSA-N 2 2 339.505 1.753 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000581437017 322177774 /nfs/dbraw/zinc/17/77/74/322177774.db2.gz UUOKFDQBHDAKGH-ZBFHGGJFSA-N 2 2 334.439 1.286 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000581437017 322177776 /nfs/dbraw/zinc/17/77/76/322177776.db2.gz UUOKFDQBHDAKGH-ZBFHGGJFSA-N 2 2 334.439 1.286 20 0 EDADLP COc1cc(-c2noc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)n2)ncn1 ZINC000581555973 322192623 /nfs/dbraw/zinc/19/26/23/322192623.db2.gz FUZWVVIMLWLBLF-NSHDSACASA-N 2 2 341.375 1.258 20 0 EDADLP COc1cc(-c2noc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)n2)ncn1 ZINC000581555973 322192624 /nfs/dbraw/zinc/19/26/24/322192624.db2.gz FUZWVVIMLWLBLF-NSHDSACASA-N 2 2 341.375 1.258 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnnn1C1CCOCC1 ZINC000581585534 322194654 /nfs/dbraw/zinc/19/46/54/322194654.db2.gz GHQAXWUHQSGYNC-HNNXBMFYSA-N 2 2 331.424 1.194 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnnn1C1CCOCC1 ZINC000581585534 322194657 /nfs/dbraw/zinc/19/46/57/322194657.db2.gz GHQAXWUHQSGYNC-HNNXBMFYSA-N 2 2 331.424 1.194 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)CC1 ZINC000581820686 322220811 /nfs/dbraw/zinc/22/08/11/322220811.db2.gz RDVCDKGARAWHHU-IBGZPJMESA-N 2 2 333.451 1.997 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)CC1 ZINC000581820686 322220814 /nfs/dbraw/zinc/22/08/14/322220814.db2.gz RDVCDKGARAWHHU-IBGZPJMESA-N 2 2 333.451 1.997 20 0 EDADLP COc1ccc([C@H]2CCCN2C(=O)C[NH2+]CC2([NH3+])CCC2)c(OC)c1 ZINC000342145173 444533070 /nfs/dbraw/zinc/53/30/70/444533070.db2.gz RSIATAFMRIEOBE-MRXNPFEDSA-N 2 2 347.459 1.838 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343756576 444568647 /nfs/dbraw/zinc/56/86/47/444568647.db2.gz ZFJZRFFPPFEOSB-DOTOQJQBSA-N 2 2 325.497 1.819 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343756576 444568649 /nfs/dbraw/zinc/56/86/49/444568649.db2.gz ZFJZRFFPPFEOSB-DOTOQJQBSA-N 2 2 325.497 1.819 20 0 EDADLP CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000338234243 444578385 /nfs/dbraw/zinc/57/83/85/444578385.db2.gz LNVFDKUHIPNCMA-HNNXBMFYSA-N 2 2 329.510 1.218 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343725535 444547453 /nfs/dbraw/zinc/54/74/53/444547453.db2.gz FXZHRKPWZMBFPP-SJORKVTESA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343725535 444547456 /nfs/dbraw/zinc/54/74/56/444547456.db2.gz FXZHRKPWZMBFPP-SJORKVTESA-N 2 2 338.540 1.638 20 0 EDADLP Cc1c[nH+]c(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)n1C ZINC000341006801 444627781 /nfs/dbraw/zinc/62/77/81/444627781.db2.gz IQTONVVVHFFDMC-UHFFFAOYSA-N 2 2 329.448 1.310 20 0 EDADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@@H]21 ZINC000329559763 444629261 /nfs/dbraw/zinc/62/92/61/444629261.db2.gz RARZMJMPFSAWLR-IRXDYDNUSA-N 2 2 326.400 1.086 20 0 EDADLP C[N@H+]1CCO[C@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@@H]21 ZINC000329559763 444629264 /nfs/dbraw/zinc/62/92/64/444629264.db2.gz RARZMJMPFSAWLR-IRXDYDNUSA-N 2 2 326.400 1.086 20 0 EDADLP COc1cc([C@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)ccn1 ZINC000342281288 444610529 /nfs/dbraw/zinc/61/05/29/444610529.db2.gz FTIVBCNXOVTURN-AWEZNQCLSA-N 2 2 342.447 1.483 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000343825593 444613704 /nfs/dbraw/zinc/61/37/04/444613704.db2.gz LPZOLGAEFNIQTG-HOTGVXAUSA-N 2 2 338.402 1.715 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000343825593 444613705 /nfs/dbraw/zinc/61/37/05/444613705.db2.gz LPZOLGAEFNIQTG-HOTGVXAUSA-N 2 2 338.402 1.715 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000340993227 444620071 /nfs/dbraw/zinc/62/00/71/444620071.db2.gz ZXYBFYUGPMEGSN-NVXWUHKLSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000340993227 444620075 /nfs/dbraw/zinc/62/00/75/444620075.db2.gz ZXYBFYUGPMEGSN-NVXWUHKLSA-N 2 2 338.496 1.271 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nn1 ZINC000338305253 444621401 /nfs/dbraw/zinc/62/14/01/444621401.db2.gz UUAFJQPQWCMKTH-DZGCQCFKSA-N 2 2 348.426 1.263 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nn1 ZINC000338305253 444621404 /nfs/dbraw/zinc/62/14/04/444621404.db2.gz UUAFJQPQWCMKTH-DZGCQCFKSA-N 2 2 348.426 1.263 20 0 EDADLP c1c[nH+]c([C@H]2CCCN(c3nc(N[C@H]4CCCOC4)cc[nH+]3)C2)[nH]1 ZINC000333294428 444654540 /nfs/dbraw/zinc/65/45/40/444654540.db2.gz RWXNKZADTJKAJJ-KBPBESRZSA-N 2 2 328.420 2.175 20 0 EDADLP COCC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000338359846 444654972 /nfs/dbraw/zinc/65/49/72/444654972.db2.gz ZWAVTPVWHSVQIR-OAHLLOKOSA-N 2 2 343.512 1.254 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)C2)C1 ZINC000333568548 444681483 /nfs/dbraw/zinc/68/14/83/444681483.db2.gz IBZGUVVHQVCRID-QAPCUYQASA-N 2 2 331.464 1.888 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)C2)C1 ZINC000333568548 444681486 /nfs/dbraw/zinc/68/14/86/444681486.db2.gz IBZGUVVHQVCRID-QAPCUYQASA-N 2 2 331.464 1.888 20 0 EDADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nn1C ZINC000329612385 444648192 /nfs/dbraw/zinc/64/81/92/444648192.db2.gz OLITXMWVJCBVCK-UHFFFAOYSA-N 2 2 333.480 1.409 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333927584 444720585 /nfs/dbraw/zinc/72/05/85/444720585.db2.gz WOBSELNVCIVJTD-HUUCEWRRSA-N 2 2 327.432 1.596 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338595219 444764953 /nfs/dbraw/zinc/76/49/53/444764953.db2.gz SEZVPNGFUXCYEQ-APWZRJJASA-N 2 2 349.450 1.298 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC000338595219 444764957 /nfs/dbraw/zinc/76/49/57/444764957.db2.gz SEZVPNGFUXCYEQ-APWZRJJASA-N 2 2 349.450 1.298 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H](C[NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000333981232 444735892 /nfs/dbraw/zinc/73/58/92/444735892.db2.gz BPEABFDNKDUDAP-GVDBMIGSSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H](C[NH+]4CCCC4)C3)[nH+]cn2)C1 ZINC000333981232 444735895 /nfs/dbraw/zinc/73/58/95/444735895.db2.gz BPEABFDNKDUDAP-GVDBMIGSSA-N 2 2 345.491 1.606 20 0 EDADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329966470 444790856 /nfs/dbraw/zinc/79/08/56/444790856.db2.gz VPMYYFUQBUIDPG-OCCSQVGLSA-N 2 2 333.436 1.751 20 0 EDADLP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329966470 444790861 /nfs/dbraw/zinc/79/08/61/444790861.db2.gz VPMYYFUQBUIDPG-OCCSQVGLSA-N 2 2 333.436 1.751 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000342765130 444854803 /nfs/dbraw/zinc/85/48/03/444854803.db2.gz MABBLWGWWCMZGE-STQMWFEESA-N 2 2 335.452 1.405 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)C[C@@H]21 ZINC000341535559 444880338 /nfs/dbraw/zinc/88/03/38/444880338.db2.gz YDONTEFVFCUJPX-SJJHQCBESA-N 2 2 336.480 1.118 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)C[C@@H]21 ZINC000341535559 444880341 /nfs/dbraw/zinc/88/03/41/444880341.db2.gz YDONTEFVFCUJPX-SJJHQCBESA-N 2 2 336.480 1.118 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341550388 444889388 /nfs/dbraw/zinc/88/93/88/444889388.db2.gz SIDFBBUHBHLTJL-STQMWFEESA-N 2 2 334.420 1.408 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341640414 444929627 /nfs/dbraw/zinc/92/96/27/444929627.db2.gz OBEMRQWLOKWOHT-HNNXBMFYSA-N 2 2 328.416 1.457 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N(C)C[C@H]1C[C@H](OC)C[N@@H+]1C ZINC000344496683 445011653 /nfs/dbraw/zinc/01/16/53/445011653.db2.gz LTKAMTJFFLUAFX-CABCVRRESA-N 2 2 344.459 1.776 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000337357922 445047072 /nfs/dbraw/zinc/04/70/72/445047072.db2.gz CYMLIDUADAGXMT-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000337357922 445047074 /nfs/dbraw/zinc/04/70/74/445047074.db2.gz CYMLIDUADAGXMT-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000337357922 445047078 /nfs/dbraw/zinc/04/70/78/445047078.db2.gz CYMLIDUADAGXMT-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000337357922 445047079 /nfs/dbraw/zinc/04/70/79/445047079.db2.gz CYMLIDUADAGXMT-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000337357922 445047084 /nfs/dbraw/zinc/04/70/84/445047084.db2.gz CYMLIDUADAGXMT-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000337357922 445047087 /nfs/dbraw/zinc/04/70/87/445047087.db2.gz CYMLIDUADAGXMT-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP CCCCNc1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)nc(N)[nH+]1 ZINC000343089445 445054062 /nfs/dbraw/zinc/05/40/62/445054062.db2.gz DLQIYRLXLWTFBC-UHFFFAOYSA-N 2 2 336.484 1.818 20 0 EDADLP CCCCNc1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)nc(N)[nH+]1 ZINC000343089445 445054065 /nfs/dbraw/zinc/05/40/65/445054065.db2.gz DLQIYRLXLWTFBC-UHFFFAOYSA-N 2 2 336.484 1.818 20 0 EDADLP C[C@@H]1CN(CC[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000337357922 445047065 /nfs/dbraw/zinc/04/70/65/445047065.db2.gz CYMLIDUADAGXMT-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1CN(CC[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCO1 ZINC000337357922 445047069 /nfs/dbraw/zinc/04/70/69/445047069.db2.gz CYMLIDUADAGXMT-NEWSRXKRSA-N 2 2 332.492 1.727 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000344626621 445093664 /nfs/dbraw/zinc/09/36/64/445093664.db2.gz JALASRXOCHLPPJ-GVDBMIGSSA-N 2 2 346.475 1.381 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C ZINC000344626621 445093667 /nfs/dbraw/zinc/09/36/67/445093667.db2.gz JALASRXOCHLPPJ-GVDBMIGSSA-N 2 2 346.475 1.381 20 0 EDADLP CC[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339223190 445097547 /nfs/dbraw/zinc/09/75/47/445097547.db2.gz JTRIJGZGOIHURA-SJORKVTESA-N 2 2 348.491 2.198 20 0 EDADLP CC[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)[N@H+]1CCO[C@H](CC)C1 ZINC000339223190 445097551 /nfs/dbraw/zinc/09/75/51/445097551.db2.gz JTRIJGZGOIHURA-SJORKVTESA-N 2 2 348.491 2.198 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000343153222 445101165 /nfs/dbraw/zinc/10/11/65/445101165.db2.gz YHPJVCFZNYMXRU-YJBOKZPZSA-N 2 2 330.476 1.629 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000343153222 445101167 /nfs/dbraw/zinc/10/11/67/445101167.db2.gz YHPJVCFZNYMXRU-YJBOKZPZSA-N 2 2 330.476 1.629 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000339230704 445102358 /nfs/dbraw/zinc/10/23/58/445102358.db2.gz PWOYLHKNUHTKJM-UHFFFAOYSA-N 2 2 339.443 1.496 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000337607712 445163596 /nfs/dbraw/zinc/16/35/96/445163596.db2.gz VZXQOYQCSBGQSC-HNNXBMFYSA-N 2 2 334.439 1.158 20 0 EDADLP CC(C)c1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000343275376 445172806 /nfs/dbraw/zinc/17/28/06/445172806.db2.gz UCIBQUIXOGETFW-GJZGRUSLSA-N 2 2 333.480 1.965 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)nc[nH+]2)C1 ZINC000343291944 445184402 /nfs/dbraw/zinc/18/44/02/445184402.db2.gz IDYSFQFOGKSBOA-OWCLPIDISA-N 2 2 331.464 1.622 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)nc[nH+]2)C1 ZINC000343291944 445184408 /nfs/dbraw/zinc/18/44/08/445184408.db2.gz IDYSFQFOGKSBOA-OWCLPIDISA-N 2 2 331.464 1.622 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342077407 445159898 /nfs/dbraw/zinc/15/98/98/445159898.db2.gz BPHCMODJABNQMY-XKQJLSEDSA-N 2 2 338.473 1.528 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342077407 445159904 /nfs/dbraw/zinc/15/99/04/445159904.db2.gz BPHCMODJABNQMY-XKQJLSEDSA-N 2 2 338.473 1.528 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000346179107 445207258 /nfs/dbraw/zinc/20/72/58/445207258.db2.gz GPXVSEWJFCMFRK-SJLPKXTDSA-N 2 2 330.476 1.138 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000346179107 445207263 /nfs/dbraw/zinc/20/72/63/445207263.db2.gz GPXVSEWJFCMFRK-SJLPKXTDSA-N 2 2 330.476 1.138 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345757457 445198696 /nfs/dbraw/zinc/19/86/96/445198696.db2.gz SZBFAATXIAABPD-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345757457 445198699 /nfs/dbraw/zinc/19/86/99/445198699.db2.gz SZBFAATXIAABPD-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000347508933 445239983 /nfs/dbraw/zinc/23/99/83/445239983.db2.gz VEZYWXKQDSDJEG-OWCLPIDISA-N 2 2 349.479 1.244 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)O1 ZINC000347508933 445239985 /nfs/dbraw/zinc/23/99/85/445239985.db2.gz VEZYWXKQDSDJEG-OWCLPIDISA-N 2 2 349.479 1.244 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000348309177 445251262 /nfs/dbraw/zinc/25/12/62/445251262.db2.gz PZBCGVGQWLGQIY-LSDHHAIUSA-N 2 2 342.447 1.203 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)CC1CCCCCC1 ZINC000343597622 445256693 /nfs/dbraw/zinc/25/66/93/445256693.db2.gz CPJBYHGRPGNFHY-UHFFFAOYSA-N 2 2 325.497 1.679 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)CC1CCCCCC1 ZINC000343597622 445256695 /nfs/dbraw/zinc/25/66/95/445256695.db2.gz CPJBYHGRPGNFHY-UHFFFAOYSA-N 2 2 325.497 1.679 20 0 EDADLP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000343602171 445259049 /nfs/dbraw/zinc/25/90/49/445259049.db2.gz QUXBGLGNXPMCJT-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000343602171 445259053 /nfs/dbraw/zinc/25/90/53/445259053.db2.gz QUXBGLGNXPMCJT-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NCCCC[NH+]3CCOCC3)cc2n1C ZINC000354602517 445310565 /nfs/dbraw/zinc/31/05/65/445310565.db2.gz OCWUQIYCZFZHJF-UHFFFAOYSA-N 2 2 330.432 1.724 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000348535462 445317254 /nfs/dbraw/zinc/31/72/54/445317254.db2.gz UVTZJQGOJJXVPO-DLBZAZTESA-N 2 2 339.528 1.186 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000348535462 445317256 /nfs/dbraw/zinc/31/72/56/445317256.db2.gz UVTZJQGOJJXVPO-DLBZAZTESA-N 2 2 339.528 1.186 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348535462 445317258 /nfs/dbraw/zinc/31/72/58/445317258.db2.gz UVTZJQGOJJXVPO-DLBZAZTESA-N 2 2 339.528 1.186 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348535462 445317259 /nfs/dbraw/zinc/31/72/59/445317259.db2.gz UVTZJQGOJJXVPO-DLBZAZTESA-N 2 2 339.528 1.186 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351682041 445270626 /nfs/dbraw/zinc/27/06/26/445270626.db2.gz DQAWNEUZRVHEDI-LSDHHAIUSA-N 2 2 349.479 1.144 20 0 EDADLP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000348635242 445341178 /nfs/dbraw/zinc/34/11/78/445341178.db2.gz KQPRBCPDJCWPPY-KRWDZBQOSA-N 2 2 340.512 1.663 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n(-c2ccccc2F)n1 ZINC000351854303 445343744 /nfs/dbraw/zinc/34/37/44/445343744.db2.gz QFHRNYPITVJNLJ-ZIAGYGMSSA-N 2 2 345.422 1.927 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n(-c2ccccc2F)n1 ZINC000351854303 445343746 /nfs/dbraw/zinc/34/37/46/445343746.db2.gz QFHRNYPITVJNLJ-ZIAGYGMSSA-N 2 2 345.422 1.927 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000351866697 445347933 /nfs/dbraw/zinc/34/79/33/445347933.db2.gz VFSPFTMNDHBFDK-QWHCGFSZSA-N 2 2 333.461 1.601 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000351866697 445347936 /nfs/dbraw/zinc/34/79/36/445347936.db2.gz VFSPFTMNDHBFDK-QWHCGFSZSA-N 2 2 333.461 1.601 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000359670792 445366585 /nfs/dbraw/zinc/36/65/85/445366585.db2.gz BXPQGVZJJJHACI-UHFFFAOYSA-N 2 2 333.480 1.954 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000359670792 445366587 /nfs/dbraw/zinc/36/65/87/445366587.db2.gz BXPQGVZJJJHACI-UHFFFAOYSA-N 2 2 333.480 1.954 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000362490643 445408863 /nfs/dbraw/zinc/40/88/63/445408863.db2.gz UGOYZLKYEDKNRC-QFBILLFUSA-N 2 2 345.487 1.927 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000362490643 445408868 /nfs/dbraw/zinc/40/88/68/445408868.db2.gz UGOYZLKYEDKNRC-QFBILLFUSA-N 2 2 345.487 1.927 20 0 EDADLP CC(C)[N@H+]1C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@@H](C)C1 ZINC000362517982 445420487 /nfs/dbraw/zinc/42/04/87/445420487.db2.gz AGYATTIBPYZAQG-RYUDHWBXSA-N 2 2 347.385 1.973 20 0 EDADLP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@@H](C)C1 ZINC000362517982 445420489 /nfs/dbraw/zinc/42/04/89/445420489.db2.gz AGYATTIBPYZAQG-RYUDHWBXSA-N 2 2 347.385 1.973 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000357099685 445428698 /nfs/dbraw/zinc/42/86/98/445428698.db2.gz CUMUATMIIPLVLL-KSZLIROESA-N 2 2 342.487 1.170 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000357099685 445428701 /nfs/dbraw/zinc/42/87/01/445428701.db2.gz CUMUATMIIPLVLL-KSZLIROESA-N 2 2 342.487 1.170 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1cccs1 ZINC000348888094 445430337 /nfs/dbraw/zinc/43/03/37/445430337.db2.gz ZIWWFYUSITVBAN-RDBSUJKOSA-N 2 2 338.477 1.075 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1cccs1 ZINC000348888094 445430342 /nfs/dbraw/zinc/43/03/42/445430342.db2.gz ZIWWFYUSITVBAN-RDBSUJKOSA-N 2 2 338.477 1.075 20 0 EDADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357044288 445391341 /nfs/dbraw/zinc/39/13/41/445391341.db2.gz HAIMPIBRNCMVRQ-CZUORRHYSA-N 2 2 343.431 1.996 20 0 EDADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357044288 445391345 /nfs/dbraw/zinc/39/13/45/445391345.db2.gz HAIMPIBRNCMVRQ-CZUORRHYSA-N 2 2 343.431 1.996 20 0 EDADLP COc1c(O)cccc1C[NH2+]C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354877925 445430561 /nfs/dbraw/zinc/43/05/61/445430561.db2.gz YUSGPSSDKQJFHN-LSDHHAIUSA-N 2 2 348.422 1.837 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000352007250 445433193 /nfs/dbraw/zinc/43/31/93/445433193.db2.gz WZDYEZCVUMAZDA-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000352007250 445433195 /nfs/dbraw/zinc/43/31/95/445433195.db2.gz WZDYEZCVUMAZDA-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000352007250 445433200 /nfs/dbraw/zinc/43/32/00/445433200.db2.gz WZDYEZCVUMAZDA-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000352007250 445433205 /nfs/dbraw/zinc/43/32/05/445433205.db2.gz WZDYEZCVUMAZDA-IAGOWNOFSA-N 2 2 344.503 1.599 20 0 EDADLP CCc1nc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000348924230 445442517 /nfs/dbraw/zinc/44/25/17/445442517.db2.gz VUDQUJJYAJLFLT-UHFFFAOYSA-N 2 2 336.505 1.692 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000348933436 445447237 /nfs/dbraw/zinc/44/72/37/445447237.db2.gz MYNGYNUGEJOTQY-KSZLIROESA-N 2 2 339.524 1.972 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000348933436 445447242 /nfs/dbraw/zinc/44/72/42/445447242.db2.gz MYNGYNUGEJOTQY-KSZLIROESA-N 2 2 339.524 1.972 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000348933436 445447246 /nfs/dbraw/zinc/44/72/46/445447246.db2.gz MYNGYNUGEJOTQY-KSZLIROESA-N 2 2 339.524 1.972 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000348933436 445447249 /nfs/dbraw/zinc/44/72/49/445447249.db2.gz MYNGYNUGEJOTQY-KSZLIROESA-N 2 2 339.524 1.972 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC[C@H]1CCCCO1 ZINC000349115179 445511825 /nfs/dbraw/zinc/51/18/25/445511825.db2.gz CQCPMAIQXFTNCG-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC[C@H]1CCCCO1 ZINC000349115179 445511827 /nfs/dbraw/zinc/51/18/27/445511827.db2.gz CQCPMAIQXFTNCG-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)[C@H]21 ZINC000349132577 445517344 /nfs/dbraw/zinc/51/73/44/445517344.db2.gz RYDQDMWZGCNZKI-HBMCJLEFSA-N 2 2 341.499 1.711 20 0 EDADLP c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](CCN4CCOCC4)CC3)[C@H]21 ZINC000349132577 445517349 /nfs/dbraw/zinc/51/73/49/445517349.db2.gz RYDQDMWZGCNZKI-HBMCJLEFSA-N 2 2 341.499 1.711 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000362720569 445517940 /nfs/dbraw/zinc/51/79/40/445517940.db2.gz XTPFMNUQRFHDSK-CVEARBPZSA-N 2 2 328.416 1.246 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000362720569 445517945 /nfs/dbraw/zinc/51/79/45/445517945.db2.gz XTPFMNUQRFHDSK-CVEARBPZSA-N 2 2 328.416 1.246 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(C3CC3)n2)CC1 ZINC000349155109 445523603 /nfs/dbraw/zinc/52/36/03/445523603.db2.gz VSWDZSIWCBDYHJ-UHFFFAOYSA-N 2 2 347.459 1.946 20 0 EDADLP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000362798238 445555031 /nfs/dbraw/zinc/55/50/31/445555031.db2.gz PPNGKSLCCIWHKP-UONOGXRCSA-N 2 2 328.420 1.551 20 0 EDADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000352833162 445558539 /nfs/dbraw/zinc/55/85/39/445558539.db2.gz XPDLRRKDQPUQFU-KKUMJFAQSA-N 2 2 338.452 1.339 20 0 EDADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000352833162 445558545 /nfs/dbraw/zinc/55/85/45/445558545.db2.gz XPDLRRKDQPUQFU-KKUMJFAQSA-N 2 2 338.452 1.339 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000353025371 445571951 /nfs/dbraw/zinc/57/19/51/445571951.db2.gz IYKFTPNUIQFVDI-AWEZNQCLSA-N 2 2 342.402 1.359 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOc3cc(O)ccc3C2)CC1 ZINC000353145962 445576944 /nfs/dbraw/zinc/57/69/44/445576944.db2.gz MRZWPPJNMQWSAX-UHFFFAOYSA-N 2 2 333.432 1.187 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOc3cc(O)ccc3C2)CC1 ZINC000353145962 445576948 /nfs/dbraw/zinc/57/69/48/445576948.db2.gz MRZWPPJNMQWSAX-UHFFFAOYSA-N 2 2 333.432 1.187 20 0 EDADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000358140971 445606802 /nfs/dbraw/zinc/60/68/02/445606802.db2.gz OOBDBLVBTIYYGL-OAGGEKHMSA-N 2 2 349.479 1.295 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358171557 445609751 /nfs/dbraw/zinc/60/97/51/445609751.db2.gz UCFMIVKJUZSSPU-GVDBMIGSSA-N 2 2 340.512 1.611 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358171557 445609754 /nfs/dbraw/zinc/60/97/54/445609754.db2.gz UCFMIVKJUZSSPU-GVDBMIGSSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000356087224 445612417 /nfs/dbraw/zinc/61/24/17/445612417.db2.gz CVQLFOFEDVPNHW-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000356087224 445612421 /nfs/dbraw/zinc/61/24/21/445612421.db2.gz CVQLFOFEDVPNHW-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356087224 445612424 /nfs/dbraw/zinc/61/24/24/445612424.db2.gz CVQLFOFEDVPNHW-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356087224 445612427 /nfs/dbraw/zinc/61/24/27/445612427.db2.gz CVQLFOFEDVPNHW-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000356122826 445633619 /nfs/dbraw/zinc/63/36/19/445633619.db2.gz DWDQQUWQEGUZAF-UHFFFAOYSA-N 2 2 349.479 1.417 20 0 EDADLP C[C@@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000356157517 445653852 /nfs/dbraw/zinc/65/38/52/445653852.db2.gz UJBVOSSWIORXNC-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1NC(C)=O ZINC000360251643 445657872 /nfs/dbraw/zinc/65/78/72/445657872.db2.gz TXZBYZVOKNGLHJ-CZUORRHYSA-N 2 2 335.448 1.761 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000356178148 445662958 /nfs/dbraw/zinc/66/29/58/445662958.db2.gz CMJQPDILWFURNW-WMZOPIPTSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000356178148 445662960 /nfs/dbraw/zinc/66/29/60/445662960.db2.gz CMJQPDILWFURNW-WMZOPIPTSA-N 2 2 348.491 1.179 20 0 EDADLP CCc1nc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)C2)no1 ZINC000363107249 445680740 /nfs/dbraw/zinc/68/07/40/445680740.db2.gz DQTALJHZFPPYER-GJZGRUSLSA-N 2 2 349.479 1.364 20 0 EDADLP CCc1nc([C@H]2CCC[N@H+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)C2)no1 ZINC000363107249 445680745 /nfs/dbraw/zinc/68/07/45/445680745.db2.gz DQTALJHZFPPYER-GJZGRUSLSA-N 2 2 349.479 1.364 20 0 EDADLP COc1ccc(F)cc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353673704 445701320 /nfs/dbraw/zinc/70/13/20/445701320.db2.gz RYQIKKJLNMTBIR-UHFFFAOYSA-N 2 2 337.439 1.916 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000356277933 445714011 /nfs/dbraw/zinc/71/40/11/445714011.db2.gz JCKBVTCURQOPPX-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000356277933 445714015 /nfs/dbraw/zinc/71/40/15/445714015.db2.gz JCKBVTCURQOPPX-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000349907258 445717974 /nfs/dbraw/zinc/71/79/74/445717974.db2.gz YEZGSDLFBVNCNS-OAHLLOKOSA-N 2 2 335.452 1.129 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000349907258 445717976 /nfs/dbraw/zinc/71/79/76/445717976.db2.gz YEZGSDLFBVNCNS-OAHLLOKOSA-N 2 2 335.452 1.129 20 0 EDADLP Cc1cc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n(C)n1 ZINC000363206584 445721028 /nfs/dbraw/zinc/72/10/28/445721028.db2.gz MQPOPSAWAPONSI-UHFFFAOYSA-N 2 2 349.479 1.101 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000358780996 445771380 /nfs/dbraw/zinc/77/13/80/445771380.db2.gz BRABFIHSJBRGBQ-BRWVUGGUSA-N 2 2 339.528 1.184 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000358780996 445771385 /nfs/dbraw/zinc/77/13/85/445771385.db2.gz BRABFIHSJBRGBQ-BRWVUGGUSA-N 2 2 339.528 1.184 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000353731041 445728060 /nfs/dbraw/zinc/72/80/60/445728060.db2.gz UECBLJOOBKFOSU-CABCVRRESA-N 2 2 337.468 1.068 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000353731041 445728065 /nfs/dbraw/zinc/72/80/65/445728065.db2.gz UECBLJOOBKFOSU-CABCVRRESA-N 2 2 337.468 1.068 20 0 EDADLP C[C@@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)CN1CC[NH+](C)CC1 ZINC000358742285 445753344 /nfs/dbraw/zinc/75/33/44/445753344.db2.gz BDBPHEJQQXYHPV-DOTOQJQBSA-N 2 2 328.464 1.367 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000350148508 445779757 /nfs/dbraw/zinc/77/97/57/445779757.db2.gz CCIUMUOZPDSNOO-LSDHHAIUSA-N 2 2 338.452 1.743 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000350148508 445779761 /nfs/dbraw/zinc/77/97/61/445779761.db2.gz CCIUMUOZPDSNOO-LSDHHAIUSA-N 2 2 338.452 1.743 20 0 EDADLP C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000356463712 445804624 /nfs/dbraw/zinc/80/46/24/445804624.db2.gz WMTIEMYLGIKYJM-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000356463712 445804627 /nfs/dbraw/zinc/80/46/27/445804627.db2.gz WMTIEMYLGIKYJM-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000350284217 445806215 /nfs/dbraw/zinc/80/62/15/445806215.db2.gz BLSXMPUPBAALIN-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000350284217 445806218 /nfs/dbraw/zinc/80/62/18/445806218.db2.gz BLSXMPUPBAALIN-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000363445362 445806614 /nfs/dbraw/zinc/80/66/14/445806614.db2.gz PTDZZTTWQDKBPS-UHFFFAOYSA-N 2 2 336.480 1.069 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000363458688 445812623 /nfs/dbraw/zinc/81/26/23/445812623.db2.gz AALWBDQPGSBIQB-HNNXBMFYSA-N 2 2 325.478 1.907 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000363458688 445812626 /nfs/dbraw/zinc/81/26/26/445812626.db2.gz AALWBDQPGSBIQB-HNNXBMFYSA-N 2 2 325.478 1.907 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000350680302 445879304 /nfs/dbraw/zinc/87/93/04/445879304.db2.gz CPKJYJPEIZTMTM-UHFFFAOYSA-N 2 2 325.375 1.051 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000354059018 445880523 /nfs/dbraw/zinc/88/05/23/445880523.db2.gz NTCNALRCXANZHI-KRWDZBQOSA-N 2 2 331.460 1.742 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000354059018 445880527 /nfs/dbraw/zinc/88/05/27/445880527.db2.gz NTCNALRCXANZHI-KRWDZBQOSA-N 2 2 331.460 1.742 20 0 EDADLP [NH3+]Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCOCC2)ccn1 ZINC000361608576 445845322 /nfs/dbraw/zinc/84/53/22/445845322.db2.gz GMKRGDQKAKAKIS-UHFFFAOYSA-N 2 2 326.400 1.625 20 0 EDADLP C[C@H](CNC(=O)[C@@]1([NH+](C)C)CCc2ccccc21)C[NH+]1CCOCC1 ZINC000363544493 445852906 /nfs/dbraw/zinc/85/29/06/445852906.db2.gz KBFSFYAPDHYWKI-OXQOHEQNSA-N 2 2 345.487 1.474 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc([S@](C)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354036310 445866906 /nfs/dbraw/zinc/86/69/06/445866906.db2.gz GVSWWDMPVPOCTF-XKPFWTEKSA-N 2 2 349.544 1.882 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc([S@](C)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354036310 445866909 /nfs/dbraw/zinc/86/69/09/445866909.db2.gz GVSWWDMPVPOCTF-XKPFWTEKSA-N 2 2 349.544 1.882 20 0 EDADLP CN(C(=O)c1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361769881 445929657 /nfs/dbraw/zinc/92/96/57/445929657.db2.gz KSPVQPFPEKJDIQ-GOSISDBHSA-N 2 2 343.471 1.828 20 0 EDADLP CN(C(=O)c1ccccc1C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000361769881 445929663 /nfs/dbraw/zinc/92/96/63/445929663.db2.gz KSPVQPFPEKJDIQ-GOSISDBHSA-N 2 2 343.471 1.828 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)C1(C)C ZINC000364602829 445936021 /nfs/dbraw/zinc/93/60/21/445936021.db2.gz QJWJXCNFSWDXTJ-CKEIUWERSA-N 2 2 341.521 1.169 20 0 EDADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000372952344 445941151 /nfs/dbraw/zinc/94/11/51/445941151.db2.gz SPUZDGKSOJHOKV-CQSZACIVSA-N 2 2 333.436 1.360 20 0 EDADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000372952344 445941153 /nfs/dbraw/zinc/94/11/53/445941153.db2.gz SPUZDGKSOJHOKV-CQSZACIVSA-N 2 2 333.436 1.360 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC2)[C@H]1c1ccccc1 ZINC000356713398 445959087 /nfs/dbraw/zinc/95/90/87/445959087.db2.gz RBCVSCBUBQOKMC-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC2)[C@H]1c1ccccc1 ZINC000356713398 445959091 /nfs/dbraw/zinc/95/90/91/445959091.db2.gz RBCVSCBUBQOKMC-QZTJIDSGSA-N 2 2 346.475 1.453 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000372989839 445963759 /nfs/dbraw/zinc/96/37/59/445963759.db2.gz MVLAFEQKLCBMLH-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000372989839 445963767 /nfs/dbraw/zinc/96/37/67/445963767.db2.gz MVLAFEQKLCBMLH-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000365027283 445981807 /nfs/dbraw/zinc/98/18/07/445981807.db2.gz GRAXLUXPHVKNAH-XHSDSOJGSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000365027283 445981814 /nfs/dbraw/zinc/98/18/14/445981814.db2.gz GRAXLUXPHVKNAH-XHSDSOJGSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]cn1 ZINC000365027283 445981822 /nfs/dbraw/zinc/98/18/22/445981822.db2.gz GRAXLUXPHVKNAH-XHSDSOJGSA-N 2 2 331.464 1.867 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]cn1 ZINC000365027283 445981827 /nfs/dbraw/zinc/98/18/27/445981827.db2.gz GRAXLUXPHVKNAH-XHSDSOJGSA-N 2 2 331.464 1.867 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000356748749 445986348 /nfs/dbraw/zinc/98/63/48/445986348.db2.gz WIKGTPKKOVULEK-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000356748749 445986352 /nfs/dbraw/zinc/98/63/52/445986352.db2.gz WIKGTPKKOVULEK-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP [NH3+][C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1cscn1 ZINC000582783970 325927137 /nfs/dbraw/zinc/92/71/37/325927137.db2.gz YWBYWHNJLWDQAZ-HNNXBMFYSA-N 2 2 338.477 1.246 20 0 EDADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369249735 446021765 /nfs/dbraw/zinc/02/17/65/446021765.db2.gz MCDDQILMRGBYQL-QGZVFWFLSA-N 2 2 330.476 1.963 20 0 EDADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369249735 446021772 /nfs/dbraw/zinc/02/17/72/446021772.db2.gz MCDDQILMRGBYQL-QGZVFWFLSA-N 2 2 330.476 1.963 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CCc4[nH+]c[nH]c4C3)CC2)CCO1 ZINC000366115194 446022551 /nfs/dbraw/zinc/02/25/51/446022551.db2.gz IIQHIZQZVHNFNL-KBPBESRZSA-N 2 2 347.463 1.162 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)CC2)CCO1 ZINC000366115194 446022556 /nfs/dbraw/zinc/02/25/56/446022556.db2.gz IIQHIZQZVHNFNL-KBPBESRZSA-N 2 2 347.463 1.162 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CCc4[nH]c[nH+]c4C3)CC2)CCO1 ZINC000366115194 446022564 /nfs/dbraw/zinc/02/25/64/446022564.db2.gz IIQHIZQZVHNFNL-KBPBESRZSA-N 2 2 347.463 1.162 20 0 EDADLP COc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000369272959 446037635 /nfs/dbraw/zinc/03/76/35/446037635.db2.gz DWGJEJAYNCTHJD-AWEZNQCLSA-N 2 2 347.459 1.602 20 0 EDADLP COc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000369272959 446037641 /nfs/dbraw/zinc/03/76/41/446037641.db2.gz DWGJEJAYNCTHJD-AWEZNQCLSA-N 2 2 347.459 1.602 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(F)cc3)C2)CC1 ZINC000369279540 446044370 /nfs/dbraw/zinc/04/43/70/446044370.db2.gz XVZTUKVOOPTXRN-OAHLLOKOSA-N 2 2 335.423 1.489 20 0 EDADLP CC(C)[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000354257798 446053389 /nfs/dbraw/zinc/05/33/89/446053389.db2.gz ZMDQRYYNDQGNOE-KURKYZTESA-N 2 2 339.524 1.799 20 0 EDADLP CC(C)[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000354257798 446053395 /nfs/dbraw/zinc/05/33/95/446053395.db2.gz ZMDQRYYNDQGNOE-KURKYZTESA-N 2 2 339.524 1.799 20 0 EDADLP CC[NH+]1CCN(CC(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)CC1 ZINC000583538974 326090345 /nfs/dbraw/zinc/09/03/45/326090345.db2.gz HBDGVDLXDHIUET-UHFFFAOYSA-N 2 2 337.493 1.097 20 0 EDADLP CC[NH+]1CCN(CC(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)CC1 ZINC000583538974 326090347 /nfs/dbraw/zinc/09/03/47/326090347.db2.gz HBDGVDLXDHIUET-UHFFFAOYSA-N 2 2 337.493 1.097 20 0 EDADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000583614840 326104746 /nfs/dbraw/zinc/10/47/46/326104746.db2.gz ICMDMNIPLCBSND-CYBMUJFWSA-N 2 2 344.431 1.573 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584031364 326185489 /nfs/dbraw/zinc/18/54/89/326185489.db2.gz RQXZYLQPRINZQY-OAHLLOKOSA-N 2 2 341.415 1.406 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000584031364 326185491 /nfs/dbraw/zinc/18/54/91/326185491.db2.gz RQXZYLQPRINZQY-OAHLLOKOSA-N 2 2 341.415 1.406 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000584157595 326209525 /nfs/dbraw/zinc/20/95/25/326209525.db2.gz XJHOGFQFWIUHEH-UHFFFAOYSA-N 2 2 344.484 1.941 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)ccc2[nH+]1 ZINC000359254868 446088547 /nfs/dbraw/zinc/08/85/47/446088547.db2.gz UMXMGFGMCQLKEN-UHFFFAOYSA-N 2 2 331.420 1.285 20 0 EDADLP CCN1CCN(C(=O)NCCC2CC[NH+](C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000354275659 446073707 /nfs/dbraw/zinc/07/37/07/446073707.db2.gz FZUWEDCUFUPDJD-INIZCTEOSA-N 2 2 348.495 1.530 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000369330138 446077608 /nfs/dbraw/zinc/07/76/08/446077608.db2.gz CGESWEGLCGMHQJ-UHFFFAOYSA-N 2 2 339.443 1.546 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000369330138 446077617 /nfs/dbraw/zinc/07/76/17/446077617.db2.gz CGESWEGLCGMHQJ-UHFFFAOYSA-N 2 2 339.443 1.546 20 0 EDADLP CCC[N@H+](Cc1nnnn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000369331166 446079572 /nfs/dbraw/zinc/07/95/72/446079572.db2.gz VQGUZRYQOMTXGX-UHFFFAOYSA-N 2 2 344.467 1.498 20 0 EDADLP CCC[N@@H+](Cc1nnnn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000369331166 446079578 /nfs/dbraw/zinc/07/95/78/446079578.db2.gz VQGUZRYQOMTXGX-UHFFFAOYSA-N 2 2 344.467 1.498 20 0 EDADLP Cc1ncc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)n1 ZINC000366300725 446138492 /nfs/dbraw/zinc/13/84/92/446138492.db2.gz UWEYMUVVXUUXHQ-RDJZCZTQSA-N 2 2 333.480 1.151 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000373218751 446102021 /nfs/dbraw/zinc/10/20/21/446102021.db2.gz DRCBLFFVIUTOPK-HNNXBMFYSA-N 2 2 331.464 1.793 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369410462 446118597 /nfs/dbraw/zinc/11/85/97/446118597.db2.gz DJFJQKCOELGSNF-CABCVRRESA-N 2 2 332.448 1.134 20 0 EDADLP C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369410462 446118599 /nfs/dbraw/zinc/11/85/99/446118599.db2.gz DJFJQKCOELGSNF-CABCVRRESA-N 2 2 332.448 1.134 20 0 EDADLP CCCCCC[C@H](O)C[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000365382987 446178794 /nfs/dbraw/zinc/17/87/94/446178794.db2.gz YTVTYTXNXMLKGY-IRXDYDNUSA-N 2 2 346.537 1.559 20 0 EDADLP COc1ccc(CC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000365317298 446142686 /nfs/dbraw/zinc/14/26/86/446142686.db2.gz SZNJMJNUDDBREN-KRWDZBQOSA-N 2 2 346.475 1.260 20 0 EDADLP COc1ccc(CC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000365317298 446142693 /nfs/dbraw/zinc/14/26/93/446142693.db2.gz SZNJMJNUDDBREN-KRWDZBQOSA-N 2 2 346.475 1.260 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1N(C)C ZINC000369825421 446158111 /nfs/dbraw/zinc/15/81/11/446158111.db2.gz ISENAXIZURYCIK-IEBWSBKVSA-N 2 2 346.519 1.589 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1N(C)C ZINC000369825421 446158118 /nfs/dbraw/zinc/15/81/18/446158118.db2.gz ISENAXIZURYCIK-IEBWSBKVSA-N 2 2 346.519 1.589 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1N(C)C ZINC000369825421 446158121 /nfs/dbraw/zinc/15/81/21/446158121.db2.gz ISENAXIZURYCIK-IEBWSBKVSA-N 2 2 346.519 1.589 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1N(C)C ZINC000369825421 446158127 /nfs/dbraw/zinc/15/81/27/446158127.db2.gz ISENAXIZURYCIK-IEBWSBKVSA-N 2 2 346.519 1.589 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000365414328 446195321 /nfs/dbraw/zinc/19/53/21/446195321.db2.gz HTKNHGGZAFHDRV-UHFFFAOYSA-N 2 2 326.404 1.328 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000365414328 446195327 /nfs/dbraw/zinc/19/53/27/446195327.db2.gz HTKNHGGZAFHDRV-UHFFFAOYSA-N 2 2 326.404 1.328 20 0 EDADLP C[C@H]1CC[C@H]([N@H+](CCO)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000351617242 446211399 /nfs/dbraw/zinc/21/13/99/446211399.db2.gz BKUOGQNDTCVFKR-IRXDYDNUSA-N 2 2 349.475 1.407 20 0 EDADLP C[C@H]1CC[C@H]([N@@H+](CCO)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000351617242 446211404 /nfs/dbraw/zinc/21/14/04/446211404.db2.gz BKUOGQNDTCVFKR-IRXDYDNUSA-N 2 2 349.475 1.407 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000366516567 446245980 /nfs/dbraw/zinc/24/59/80/446245980.db2.gz LDCWMOBUXMEJNE-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000366516567 446245985 /nfs/dbraw/zinc/24/59/85/446245985.db2.gz LDCWMOBUXMEJNE-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366516567 446245990 /nfs/dbraw/zinc/24/59/90/446245990.db2.gz LDCWMOBUXMEJNE-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366516567 446245995 /nfs/dbraw/zinc/24/59/95/446245995.db2.gz LDCWMOBUXMEJNE-WBVHZDCISA-N 2 2 338.496 1.365 20 0 EDADLP COCCc1nsc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000365631442 446280912 /nfs/dbraw/zinc/28/09/12/446280912.db2.gz RAVAPJSAWIIYKT-AWEZNQCLSA-N 2 2 339.509 1.332 20 0 EDADLP COCCc1nsc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000365631442 446280914 /nfs/dbraw/zinc/28/09/14/446280914.db2.gz RAVAPJSAWIIYKT-AWEZNQCLSA-N 2 2 339.509 1.332 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](C)CS(C)(=O)=O)[nH+]1 ZINC000370466045 446291665 /nfs/dbraw/zinc/29/16/65/446291665.db2.gz WGDGQNPLISXHSU-HIFRSBDPSA-N 2 2 325.478 1.947 20 0 EDADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](C)CS(C)(=O)=O)[nH+]1 ZINC000370466045 446291668 /nfs/dbraw/zinc/29/16/68/446291668.db2.gz WGDGQNPLISXHSU-HIFRSBDPSA-N 2 2 325.478 1.947 20 0 EDADLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)C1 ZINC000373697249 446306325 /nfs/dbraw/zinc/30/63/25/446306325.db2.gz PLORGMZWAHQIEW-IRXDYDNUSA-N 2 2 344.521 1.169 20 0 EDADLP COC(=O)[C@H](C1CC1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000359611998 446319730 /nfs/dbraw/zinc/31/97/30/446319730.db2.gz QRPOWFDWMSWOND-IBGZPJMESA-N 2 2 345.487 1.688 20 0 EDADLP COC(=O)[C@H](C1CC1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000359611998 446319734 /nfs/dbraw/zinc/31/97/34/446319734.db2.gz QRPOWFDWMSWOND-IBGZPJMESA-N 2 2 345.487 1.688 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366819629 446368609 /nfs/dbraw/zinc/36/86/09/446368609.db2.gz AQDJRVNBUDBVOQ-HZPDHXFCSA-N 2 2 325.416 1.872 20 0 EDADLP CCS(=O)(=O)NCC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000370650396 446374105 /nfs/dbraw/zinc/37/41/05/446374105.db2.gz CUCBLCCHINNWRF-UHFFFAOYSA-N 2 2 343.468 1.319 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCCCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417960367 446401020 /nfs/dbraw/zinc/40/10/20/446401020.db2.gz XJSQRXLAOYEOAG-LSDHHAIUSA-N 2 2 326.391 1.748 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCCCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417960367 446401023 /nfs/dbraw/zinc/40/10/23/446401023.db2.gz XJSQRXLAOYEOAG-LSDHHAIUSA-N 2 2 326.391 1.748 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CSC3(C)C)C2)CC1 ZINC000374686550 446386181 /nfs/dbraw/zinc/38/61/81/446386181.db2.gz NGGZDNZVMMIGCW-GXTWGEPZSA-N 2 2 326.510 1.348 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CSC3(C)C)C2)CC1 ZINC000374686550 446386184 /nfs/dbraw/zinc/38/61/84/446386184.db2.gz NGGZDNZVMMIGCW-GXTWGEPZSA-N 2 2 326.510 1.348 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000365882918 446387094 /nfs/dbraw/zinc/38/70/94/446387094.db2.gz FMURFTVTJXOQMV-MRXNPFEDSA-N 3 2 333.480 1.245 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000365882918 446387097 /nfs/dbraw/zinc/38/70/97/446387097.db2.gz FMURFTVTJXOQMV-MRXNPFEDSA-N 3 2 333.480 1.245 20 0 EDADLP Cn1c[nH+]c2c1CCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2 ZINC000370687357 446387235 /nfs/dbraw/zinc/38/72/35/446387235.db2.gz CNPTXWBNIVOCTP-GOSISDBHSA-N 2 2 341.459 1.197 20 0 EDADLP CN(C(=O)C[C@H](O)CC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365894710 446392339 /nfs/dbraw/zinc/39/23/39/446392339.db2.gz KBUJDNOYSFIPND-SJORKVTESA-N 2 2 339.524 1.801 20 0 EDADLP CN(C(=O)C[C@H](O)CC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365894710 446392344 /nfs/dbraw/zinc/39/23/44/446392344.db2.gz KBUJDNOYSFIPND-SJORKVTESA-N 2 2 339.524 1.801 20 0 EDADLP CN(CC[NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000417950801 446397484 /nfs/dbraw/zinc/39/74/84/446397484.db2.gz KUZDTMJGBQYRKN-GJZGRUSLSA-N 2 2 340.855 1.312 20 0 EDADLP CN(CC[NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000417950801 446397488 /nfs/dbraw/zinc/39/74/88/446397488.db2.gz KUZDTMJGBQYRKN-GJZGRUSLSA-N 2 2 340.855 1.312 20 0 EDADLP COCC[C@]1(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC[NH2+]C1 ZINC000370768123 446427289 /nfs/dbraw/zinc/42/72/89/446427289.db2.gz YFPYDLHDYVVLHN-LJQANCHMSA-N 2 2 344.459 1.867 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000420249832 446431985 /nfs/dbraw/zinc/43/19/85/446431985.db2.gz SIPWJAGFMVUXJE-CQSZACIVSA-N 2 2 332.452 1.122 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000420249832 446431988 /nfs/dbraw/zinc/43/19/88/446431988.db2.gz SIPWJAGFMVUXJE-CQSZACIVSA-N 2 2 332.452 1.122 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C[C@@H]1[NH3+] ZINC000418051933 446425312 /nfs/dbraw/zinc/42/53/12/446425312.db2.gz SYBDVPHSESDSKA-WBMJQRKESA-N 2 2 336.867 1.687 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C[C@@H]1[NH3+] ZINC000418051933 446425315 /nfs/dbraw/zinc/42/53/15/446425315.db2.gz SYBDVPHSESDSKA-WBMJQRKESA-N 2 2 336.867 1.687 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000418242253 446470369 /nfs/dbraw/zinc/47/03/69/446470369.db2.gz QTNBAQMRGJONCX-DZGCQCFKSA-N 2 2 327.432 1.829 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000418242253 446470375 /nfs/dbraw/zinc/47/03/75/446470375.db2.gz QTNBAQMRGJONCX-DZGCQCFKSA-N 2 2 327.432 1.829 20 0 EDADLP CCCCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837130 446472060 /nfs/dbraw/zinc/47/20/60/446472060.db2.gz CIZZWRZSODVASG-RDJZCZTQSA-N 2 2 325.497 1.819 20 0 EDADLP CCCCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837130 446472064 /nfs/dbraw/zinc/47/20/64/446472064.db2.gz CIZZWRZSODVASG-RDJZCZTQSA-N 2 2 325.497 1.819 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420311458 446475036 /nfs/dbraw/zinc/47/50/36/446475036.db2.gz VYZNZYOUKVBFDP-UKRRQHHQSA-N 2 2 328.478 1.493 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420311458 446475040 /nfs/dbraw/zinc/47/50/40/446475040.db2.gz VYZNZYOUKVBFDP-UKRRQHHQSA-N 2 2 328.478 1.493 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420312997 446477202 /nfs/dbraw/zinc/47/72/02/446477202.db2.gz SZCNSNOFIJEEEQ-CRAIPNDOSA-N 2 2 345.443 1.105 20 0 EDADLP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420312997 446477208 /nfs/dbraw/zinc/47/72/08/446477208.db2.gz SZCNSNOFIJEEEQ-CRAIPNDOSA-N 2 2 345.443 1.105 20 0 EDADLP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420313000 446478590 /nfs/dbraw/zinc/47/85/90/446478590.db2.gz SZCNSNOFIJEEEQ-YJBOKZPZSA-N 2 2 345.443 1.105 20 0 EDADLP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420313000 446478598 /nfs/dbraw/zinc/47/85/98/446478598.db2.gz SZCNSNOFIJEEEQ-YJBOKZPZSA-N 2 2 345.443 1.105 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000420315154 446479603 /nfs/dbraw/zinc/47/96/03/446479603.db2.gz WMZRWRVQRGABEM-NEPJUHHUSA-N 2 2 339.461 1.841 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000420315154 446479611 /nfs/dbraw/zinc/47/96/11/446479611.db2.gz WMZRWRVQRGABEM-NEPJUHHUSA-N 2 2 339.461 1.841 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000376424713 446489084 /nfs/dbraw/zinc/48/90/84/446489084.db2.gz ATZAVKZSLHHIFV-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000376424713 446489091 /nfs/dbraw/zinc/48/90/91/446489091.db2.gz ATZAVKZSLHHIFV-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP [NH3+][C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1cscn1 ZINC000423334037 446492701 /nfs/dbraw/zinc/49/27/01/446492701.db2.gz QHQIOXFZIFXGKS-MRXNPFEDSA-N 2 2 330.457 1.708 20 0 EDADLP [NH3+][C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1cscn1 ZINC000423334037 446492707 /nfs/dbraw/zinc/49/27/07/446492707.db2.gz QHQIOXFZIFXGKS-MRXNPFEDSA-N 2 2 330.457 1.708 20 0 EDADLP CC[NH+]1CCC([N@H+](CC(=O)NC(=O)NCc2ccco2)C2CC2)CC1 ZINC000375002799 446505531 /nfs/dbraw/zinc/50/55/31/446505531.db2.gz HLQPWFDMVIJFHE-UHFFFAOYSA-N 2 2 348.447 1.554 20 0 EDADLP CC[NH+]1CCC([N@@H+](CC(=O)NC(=O)NCc2ccco2)C2CC2)CC1 ZINC000375002799 446505535 /nfs/dbraw/zinc/50/55/35/446505535.db2.gz HLQPWFDMVIJFHE-UHFFFAOYSA-N 2 2 348.447 1.554 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423386832 446511455 /nfs/dbraw/zinc/51/14/55/446511455.db2.gz RSHSDVDWWDEEAF-XEZPLFJOSA-N 2 2 325.478 1.728 20 0 EDADLP CCOC(CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)OCC ZINC000375069252 446560462 /nfs/dbraw/zinc/56/04/62/446560462.db2.gz HYEFADTYSHLWKW-OAHLLOKOSA-N 2 2 341.496 1.403 20 0 EDADLP CCOC(CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)OCC ZINC000375069252 446560466 /nfs/dbraw/zinc/56/04/66/446560466.db2.gz HYEFADTYSHLWKW-OAHLLOKOSA-N 2 2 341.496 1.403 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000420388700 446562432 /nfs/dbraw/zinc/56/24/32/446562432.db2.gz MGWYTOSSOCIFQW-UHFFFAOYSA-N 2 2 329.448 1.072 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000420388700 446562438 /nfs/dbraw/zinc/56/24/38/446562438.db2.gz MGWYTOSSOCIFQW-UHFFFAOYSA-N 2 2 329.448 1.072 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cccc(-n3cc[nH+]c3)n2)C1 ZINC000376539248 446564129 /nfs/dbraw/zinc/56/41/29/446564129.db2.gz HNWBAAGVSPDIED-GOSISDBHSA-N 2 2 349.438 2.446 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cccc(-n3cc[nH+]c3)n2)C1 ZINC000376539248 446564135 /nfs/dbraw/zinc/56/41/35/446564135.db2.gz HNWBAAGVSPDIED-GOSISDBHSA-N 2 2 349.438 2.446 20 0 EDADLP O=C(Nc1ccccc1-n1cc[nH+]c1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433389698 446566715 /nfs/dbraw/zinc/56/67/15/446566715.db2.gz XUSMHYJTCVZKTJ-ZDUSSCGKSA-N 2 2 337.387 1.641 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1c(F)cccc1F ZINC000423416430 446524699 /nfs/dbraw/zinc/52/46/99/446524699.db2.gz CNDXLJOYIMVTDC-INIZCTEOSA-N 2 2 339.386 1.288 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)s1 ZINC000418393252 446525939 /nfs/dbraw/zinc/52/59/39/446525939.db2.gz FAWPYKUEJMCSDY-INIZCTEOSA-N 2 2 336.505 1.875 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350831 446529966 /nfs/dbraw/zinc/52/99/66/446529966.db2.gz IEVHAQVKZLCSPZ-GDBMZVCRSA-N 2 2 327.428 1.932 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350831 446529969 /nfs/dbraw/zinc/52/99/69/446529969.db2.gz IEVHAQVKZLCSPZ-GDBMZVCRSA-N 2 2 327.428 1.932 20 0 EDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350897 446530237 /nfs/dbraw/zinc/53/02/37/446530237.db2.gz IJASLQZZDUXGGR-SKDRFNHKSA-N 2 2 330.226 1.028 20 0 EDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350897 446530244 /nfs/dbraw/zinc/53/02/44/446530244.db2.gz IJASLQZZDUXGGR-SKDRFNHKSA-N 2 2 330.226 1.028 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000420358575 446539160 /nfs/dbraw/zinc/53/91/60/446539160.db2.gz FJOIQZFIWOZNMB-ARULTKQDSA-N 2 2 331.460 1.991 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](N(C)Cc2nccc(N)n2)C1 ZINC000367370926 446540095 /nfs/dbraw/zinc/54/00/95/446540095.db2.gz NIRWMYICHCDQAZ-KRWDZBQOSA-N 2 2 340.475 1.901 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000420359574 446540077 /nfs/dbraw/zinc/54/00/77/446540077.db2.gz GDVXINACTJXIAJ-WWGRRREGSA-N 2 2 328.453 1.966 20 0 EDADLP COCC[N@@H+](Cc1cccnc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420362353 446541431 /nfs/dbraw/zinc/54/14/31/446541431.db2.gz NZXHMJBQFIQWCH-OALUTQOASA-N 2 2 329.444 1.461 20 0 EDADLP COCC[N@H+](Cc1cccnc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420362353 446541438 /nfs/dbraw/zinc/54/14/38/446541438.db2.gz NZXHMJBQFIQWCH-OALUTQOASA-N 2 2 329.444 1.461 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420360439 446541807 /nfs/dbraw/zinc/54/18/07/446541807.db2.gz HDPKONRNHQQAPI-XJKCOSOUSA-N 2 2 325.478 1.413 20 0 EDADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000420362588 446542180 /nfs/dbraw/zinc/54/21/80/446542180.db2.gz ZFASCWOEIMGVJR-OCCSQVGLSA-N 2 2 343.374 1.035 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000420362588 446542189 /nfs/dbraw/zinc/54/21/89/446542189.db2.gz ZFASCWOEIMGVJR-OCCSQVGLSA-N 2 2 343.374 1.035 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418439811 446544559 /nfs/dbraw/zinc/54/45/59/446544559.db2.gz ODRMFDUOLKQEBG-CQSZACIVSA-N 2 2 349.479 1.828 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420375483 446552420 /nfs/dbraw/zinc/55/24/20/446552420.db2.gz TUMKKWWWHUWVIY-INIZCTEOSA-N 2 2 347.459 1.933 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420379600 446557323 /nfs/dbraw/zinc/55/73/23/446557323.db2.gz XRONQGLLEXSQSS-RTBURBONSA-N 3 2 346.519 1.903 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453712078 446614870 /nfs/dbraw/zinc/61/48/70/446614870.db2.gz MLOHPKXAVXMGCP-DYVFJYSZSA-N 2 2 344.459 1.337 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453712078 446614878 /nfs/dbraw/zinc/61/48/78/446614878.db2.gz MLOHPKXAVXMGCP-DYVFJYSZSA-N 2 2 344.459 1.337 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC000367979706 446615697 /nfs/dbraw/zinc/61/56/97/446615697.db2.gz ZDSISXZVFVUWEN-KRWDZBQOSA-N 2 2 334.508 1.101 20 0 EDADLP COC[C@@]1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCC[NH2+]1 ZINC000423632653 446617166 /nfs/dbraw/zinc/61/71/66/446617166.db2.gz KBULFKDUZXTSQK-IBGZPJMESA-N 2 2 342.443 1.359 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000420393996 446569109 /nfs/dbraw/zinc/56/91/09/446569109.db2.gz CGXKMILCQDSURZ-HZPDHXFCSA-N 2 2 347.459 1.499 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000420393996 446569111 /nfs/dbraw/zinc/56/91/11/446569111.db2.gz CGXKMILCQDSURZ-HZPDHXFCSA-N 2 2 347.459 1.499 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3(C[NH3+])CCCCC3)C2)CC1 ZINC000375124212 446594309 /nfs/dbraw/zinc/59/43/09/446594309.db2.gz KAIZTXVDYNIOTN-MRXNPFEDSA-N 3 2 336.524 1.570 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3(C[NH3+])CCCCC3)C2)CC1 ZINC000375124212 446594312 /nfs/dbraw/zinc/59/43/12/446594312.db2.gz KAIZTXVDYNIOTN-MRXNPFEDSA-N 3 2 336.524 1.570 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423686451 446640192 /nfs/dbraw/zinc/64/01/92/446640192.db2.gz ZCOQXNQAWHIPPB-MOPGFXCFSA-N 2 2 343.471 1.491 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423686451 446640200 /nfs/dbraw/zinc/64/02/00/446640200.db2.gz ZCOQXNQAWHIPPB-MOPGFXCFSA-N 2 2 343.471 1.491 20 0 EDADLP Cc1cc(Cl)ccc1C[NH+]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418670631 446642898 /nfs/dbraw/zinc/64/28/98/446642898.db2.gz LEOUKTVTZYALLW-FVQHAEBGSA-N 2 2 348.878 1.693 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418737124 446661215 /nfs/dbraw/zinc/66/12/15/446661215.db2.gz VFSJUATVWGBNSY-AVGNSLFASA-N 2 2 328.457 1.697 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418737124 446661216 /nfs/dbraw/zinc/66/12/16/446661216.db2.gz VFSJUATVWGBNSY-AVGNSLFASA-N 2 2 328.457 1.697 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[N@@H+](C2CC2)C1 ZINC000418737911 446661805 /nfs/dbraw/zinc/66/18/05/446661805.db2.gz WLRPXTNYQLHEIA-CHWSQXEVSA-N 2 2 330.423 1.357 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[N@H+](C2CC2)C1 ZINC000418737911 446661811 /nfs/dbraw/zinc/66/18/11/446661811.db2.gz WLRPXTNYQLHEIA-CHWSQXEVSA-N 2 2 330.423 1.357 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418747589 446668789 /nfs/dbraw/zinc/66/87/89/446668789.db2.gz AKZBFBNXUDHHOA-MGPQQGTHSA-N 2 2 330.423 1.499 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418747589 446668792 /nfs/dbraw/zinc/66/87/92/446668792.db2.gz AKZBFBNXUDHHOA-MGPQQGTHSA-N 2 2 330.423 1.499 20 0 EDADLP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418749380 446670124 /nfs/dbraw/zinc/67/01/24/446670124.db2.gz CCHUKXRWLKNSKZ-OAHLLOKOSA-N 2 2 346.466 1.995 20 0 EDADLP C[C@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000411600681 446622364 /nfs/dbraw/zinc/62/23/64/446622364.db2.gz YSQWBMWUAQCZAY-JHJVBQTASA-N 2 2 337.468 1.744 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000418772158 446691525 /nfs/dbraw/zinc/69/15/25/446691525.db2.gz UMEKKJRUYXTXSS-ZIAGYGMSSA-N 2 2 330.423 1.359 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/c2cncs2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376752531 446697632 /nfs/dbraw/zinc/69/76/32/446697632.db2.gz LIRBAMNCNOFINL-RDFMZFSFSA-N 2 2 334.489 1.783 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C/c2cncs2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376752531 446697634 /nfs/dbraw/zinc/69/76/34/446697634.db2.gz LIRBAMNCNOFINL-RDFMZFSFSA-N 2 2 334.489 1.783 20 0 EDADLP CCOC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCC1 ZINC000375303758 446705518 /nfs/dbraw/zinc/70/55/18/446705518.db2.gz SBXGQCCASIUGBU-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP CCOC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCC1 ZINC000375303758 446705523 /nfs/dbraw/zinc/70/55/23/446705523.db2.gz SBXGQCCASIUGBU-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371249657 446714715 /nfs/dbraw/zinc/71/47/15/446714715.db2.gz MSZYTTJACDUZEM-QGZVFWFLSA-N 2 2 343.475 1.078 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371249657 446714720 /nfs/dbraw/zinc/71/47/20/446714720.db2.gz MSZYTTJACDUZEM-QGZVFWFLSA-N 2 2 343.475 1.078 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)CC2)[nH+]c1 ZINC000368251621 446739571 /nfs/dbraw/zinc/73/95/71/446739571.db2.gz UMXHJGIMCOLABP-DLBZAZTESA-N 2 2 344.459 1.148 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)CC2)[nH+]c1 ZINC000368251621 446739579 /nfs/dbraw/zinc/73/95/79/446739579.db2.gz UMXHJGIMCOLABP-DLBZAZTESA-N 2 2 344.459 1.148 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000368217758 446715534 /nfs/dbraw/zinc/71/55/34/446715534.db2.gz ZZRLGBFPEXTFOW-OAHLLOKOSA-N 2 2 325.416 1.813 20 0 EDADLP CN([C@@H](C(N)=O)c1ccc(F)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371258706 446722515 /nfs/dbraw/zinc/72/25/15/446722515.db2.gz PLCFTFYXYDBBJB-ZWKOTPCHSA-N 2 2 348.466 1.452 20 0 EDADLP CN([C@@H](C(N)=O)c1ccc(F)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371258706 446722519 /nfs/dbraw/zinc/72/25/19/446722519.db2.gz PLCFTFYXYDBBJB-ZWKOTPCHSA-N 2 2 348.466 1.452 20 0 EDADLP C[N@H+]([C@@H](C(N)=O)c1ccc(F)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258706 446722523 /nfs/dbraw/zinc/72/25/23/446722523.db2.gz PLCFTFYXYDBBJB-ZWKOTPCHSA-N 2 2 348.466 1.452 20 0 EDADLP C[N@@H+]([C@@H](C(N)=O)c1ccc(F)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258706 446722527 /nfs/dbraw/zinc/72/25/27/446722527.db2.gz PLCFTFYXYDBBJB-ZWKOTPCHSA-N 2 2 348.466 1.452 20 0 EDADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000423833645 446722772 /nfs/dbraw/zinc/72/27/72/446722772.db2.gz ZNCUBOIQBTUHCH-INIZCTEOSA-N 2 2 342.443 1.751 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423859651 446733937 /nfs/dbraw/zinc/73/39/37/446733937.db2.gz IZGXPDQKXDEAQO-MAUKXSAKSA-N 2 2 347.459 1.106 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423859651 446733942 /nfs/dbraw/zinc/73/39/42/446733942.db2.gz IZGXPDQKXDEAQO-MAUKXSAKSA-N 2 2 347.459 1.106 20 0 EDADLP CN(C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000371295293 446752611 /nfs/dbraw/zinc/75/26/11/446752611.db2.gz QIHVUPATASNECA-KZNAEPCWSA-N 2 2 331.460 1.833 20 0 EDADLP CN(C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000371295293 446752615 /nfs/dbraw/zinc/75/26/15/446752615.db2.gz QIHVUPATASNECA-KZNAEPCWSA-N 2 2 331.460 1.833 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423922370 446772299 /nfs/dbraw/zinc/77/22/99/446772299.db2.gz WADFNQYGEWGTNY-OSFYFWSMSA-N 2 2 341.452 1.154 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423922370 446772302 /nfs/dbraw/zinc/77/23/02/446772302.db2.gz WADFNQYGEWGTNY-OSFYFWSMSA-N 2 2 341.452 1.154 20 0 EDADLP Cc1cc(C)c(CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c[nH+]1 ZINC000418891987 446777361 /nfs/dbraw/zinc/77/73/61/446777361.db2.gz VHZOMJSFCKGMHO-OAHLLOKOSA-N 2 2 332.448 1.209 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H](C)C[NH3+] ZINC000423929994 446782663 /nfs/dbraw/zinc/78/26/63/446782663.db2.gz VBYXQYQYVGVVPN-DRZSPHRISA-N 2 2 328.457 1.417 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H](C)C[NH3+] ZINC000423929994 446782667 /nfs/dbraw/zinc/78/26/67/446782667.db2.gz VBYXQYQYVGVVPN-DRZSPHRISA-N 2 2 328.457 1.417 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423933249 446783991 /nfs/dbraw/zinc/78/39/91/446783991.db2.gz VDRSLISCXPEGTM-JKSUJKDBSA-N 2 2 344.459 1.804 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[NH+](C)C ZINC000454224790 446814125 /nfs/dbraw/zinc/81/41/25/446814125.db2.gz QGHXAYISKHADOM-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000454232678 446820180 /nfs/dbraw/zinc/82/01/80/446820180.db2.gz VWDFHKYSBDOMLJ-IXDOHACOSA-N 2 2 340.512 1.467 20 0 EDADLP CC(C)C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000454232678 446820189 /nfs/dbraw/zinc/82/01/89/446820189.db2.gz VWDFHKYSBDOMLJ-IXDOHACOSA-N 2 2 340.512 1.467 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000424007769 446820244 /nfs/dbraw/zinc/82/02/44/446820244.db2.gz XYBBZQQMJRYGLS-HZMVEIRTSA-N 2 2 343.475 1.430 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000424007769 446820252 /nfs/dbraw/zinc/82/02/52/446820252.db2.gz XYBBZQQMJRYGLS-HZMVEIRTSA-N 2 2 343.475 1.430 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000424007770 446820542 /nfs/dbraw/zinc/82/05/42/446820542.db2.gz XYBBZQQMJRYGLS-NCOADZHNSA-N 2 2 343.475 1.430 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000424007770 446820547 /nfs/dbraw/zinc/82/05/47/446820547.db2.gz XYBBZQQMJRYGLS-NCOADZHNSA-N 2 2 343.475 1.430 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000368389962 446831992 /nfs/dbraw/zinc/83/19/92/446831992.db2.gz LCFUVSOCMMHFRM-SFHVURJKSA-N 2 2 335.448 1.292 20 0 EDADLP CCOC(=O)[C@@](C)(O)C[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000368389962 446831998 /nfs/dbraw/zinc/83/19/98/446831998.db2.gz LCFUVSOCMMHFRM-SFHVURJKSA-N 2 2 335.448 1.292 20 0 EDADLP CN(C(=O)NCc1cscn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368395342 446835352 /nfs/dbraw/zinc/83/53/52/446835352.db2.gz RUESJMXAWACJLD-OAHLLOKOSA-N 2 2 337.493 1.453 20 0 EDADLP CN(C(=O)NCc1cscn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368395342 446835355 /nfs/dbraw/zinc/83/53/55/446835355.db2.gz RUESJMXAWACJLD-OAHLLOKOSA-N 2 2 337.493 1.453 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(-c2ccccn2)no1 ZINC000371422860 446844866 /nfs/dbraw/zinc/84/48/66/446844866.db2.gz AAYROPWHLRYYLM-UHFFFAOYSA-N 2 2 344.463 1.589 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(-c2ccccn2)no1 ZINC000371422860 446844870 /nfs/dbraw/zinc/84/48/70/446844870.db2.gz AAYROPWHLRYYLM-UHFFFAOYSA-N 2 2 344.463 1.589 20 0 EDADLP COc1ccc([C@@H](C)C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371424099 446846898 /nfs/dbraw/zinc/84/68/98/446846898.db2.gz GCKSNRSYEXHSFI-FXAWDEMLSA-N 2 2 347.503 1.747 20 0 EDADLP COc1ccc([C@@H](C)C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371424099 446846904 /nfs/dbraw/zinc/84/69/04/446846904.db2.gz GCKSNRSYEXHSFI-FXAWDEMLSA-N 2 2 347.503 1.747 20 0 EDADLP Cn1cc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c(C(C)(C)C)n1 ZINC000371427806 446848611 /nfs/dbraw/zinc/84/86/11/446848611.db2.gz ZKLMMHICMAUTCF-QGZVFWFLSA-N 2 2 349.523 1.166 20 0 EDADLP Cn1cc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c(C(C)(C)C)n1 ZINC000371427806 446848617 /nfs/dbraw/zinc/84/86/17/446848617.db2.gz ZKLMMHICMAUTCF-QGZVFWFLSA-N 2 2 349.523 1.166 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3C[C@H](C)[N@H+](CCO)C[C@H]3C)nc[nH+]2)C1 ZINC000418994397 446853015 /nfs/dbraw/zinc/85/30/15/446853015.db2.gz BQBLQBSLTSHBQF-OWCLPIDISA-N 2 2 333.480 1.604 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)nc[nH+]2)C1 ZINC000418994397 446853017 /nfs/dbraw/zinc/85/30/17/446853017.db2.gz BQBLQBSLTSHBQF-OWCLPIDISA-N 2 2 333.480 1.604 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000418999506 446856576 /nfs/dbraw/zinc/85/65/76/446856576.db2.gz JDVLJHUYWDTOIO-HZPDHXFCSA-N 2 2 346.475 1.405 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000418999506 446856583 /nfs/dbraw/zinc/85/65/83/446856583.db2.gz JDVLJHUYWDTOIO-HZPDHXFCSA-N 2 2 346.475 1.405 20 0 EDADLP Clc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-n2cncn2)c1 ZINC000368444440 446867309 /nfs/dbraw/zinc/86/73/09/446867309.db2.gz ZEXXSOKURDQIIG-CVEARBPZSA-N 2 2 347.850 1.874 20 0 EDADLP Clc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(-n2cncn2)c1 ZINC000368444440 446867315 /nfs/dbraw/zinc/86/73/15/446867315.db2.gz ZEXXSOKURDQIIG-CVEARBPZSA-N 2 2 347.850 1.874 20 0 EDADLP CCN1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000420914786 446886154 /nfs/dbraw/zinc/88/61/54/446886154.db2.gz DACFNZONVGBLAV-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP CCN1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1=O ZINC000420914786 446886157 /nfs/dbraw/zinc/88/61/57/446886157.db2.gz DACFNZONVGBLAV-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+]1CCC[C@@H](C)C1 ZINC000454519537 446897719 /nfs/dbraw/zinc/89/77/19/446897719.db2.gz WOPXXYSNYWISCF-TWMKSMIVSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000454519537 446897733 /nfs/dbraw/zinc/89/77/33/446897733.db2.gz WOPXXYSNYWISCF-TWMKSMIVSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2)[N@H+]1CCC[C@@H](C)C1 ZINC000454519537 446897740 /nfs/dbraw/zinc/89/77/40/446897740.db2.gz WOPXXYSNYWISCF-TWMKSMIVSA-N 2 2 338.496 1.221 20 0 EDADLP O=C1CC[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN12 ZINC000420937318 446909676 /nfs/dbraw/zinc/90/96/76/446909676.db2.gz LEACFLGEEIPWSN-SFHVURJKSA-N 2 2 329.444 1.325 20 0 EDADLP O=C1CC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN12 ZINC000420937318 446909679 /nfs/dbraw/zinc/90/96/79/446909679.db2.gz LEACFLGEEIPWSN-SFHVURJKSA-N 2 2 329.444 1.325 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000375688022 446978488 /nfs/dbraw/zinc/97/84/88/446978488.db2.gz HYXHGZPVRKLHKT-UHFFFAOYSA-N 2 2 345.491 1.498 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000375688022 446978492 /nfs/dbraw/zinc/97/84/92/446978492.db2.gz HYXHGZPVRKLHKT-UHFFFAOYSA-N 2 2 345.491 1.498 20 0 EDADLP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000368633395 446994822 /nfs/dbraw/zinc/99/48/22/446994822.db2.gz RYUQFVBAKVYGGJ-HNNXBMFYSA-N 2 2 341.402 1.631 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000368695860 447046011 /nfs/dbraw/zinc/04/60/11/447046011.db2.gz FRZUCUOESLAAJJ-KRWDZBQOSA-N 2 2 338.496 1.369 20 0 EDADLP O=C(OC[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1)N1CCOCC1 ZINC000375800456 447061973 /nfs/dbraw/zinc/06/19/73/447061973.db2.gz AQYKABNDDCIIKE-MRXNPFEDSA-N 2 2 336.436 1.597 20 0 EDADLP O=C(OC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1)N1CCOCC1 ZINC000375800456 447061976 /nfs/dbraw/zinc/06/19/76/447061976.db2.gz AQYKABNDDCIIKE-MRXNPFEDSA-N 2 2 336.436 1.597 20 0 EDADLP CC(C)C[N@@H+]1CCCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000372574875 447155188 /nfs/dbraw/zinc/15/51/88/447155188.db2.gz PNAJEIBUJVUOJJ-INIZCTEOSA-N 2 2 333.480 2.236 20 0 EDADLP CC(C)C[N@H+]1CCCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000372574875 447155193 /nfs/dbraw/zinc/15/51/93/447155193.db2.gz PNAJEIBUJVUOJJ-INIZCTEOSA-N 2 2 333.480 2.236 20 0 EDADLP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000368817655 447130142 /nfs/dbraw/zinc/13/01/42/447130142.db2.gz NSZVJOJPZFANBL-MHORFTMASA-N 2 2 329.444 1.368 20 0 EDADLP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000368817655 447130148 /nfs/dbraw/zinc/13/01/48/447130148.db2.gz NSZVJOJPZFANBL-MHORFTMASA-N 2 2 329.444 1.368 20 0 EDADLP CCCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903831 447134200 /nfs/dbraw/zinc/13/42/00/447134200.db2.gz PWHBVHVOFVGHEP-SJORKVTESA-N 2 2 325.497 1.819 20 0 EDADLP CCCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375903831 447134210 /nfs/dbraw/zinc/13/42/10/447134210.db2.gz PWHBVHVOFVGHEP-SJORKVTESA-N 2 2 325.497 1.819 20 0 EDADLP CCN(CC)C(=O)CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000445988645 447212611 /nfs/dbraw/zinc/21/26/11/447212611.db2.gz BBHXSBOHFPPEED-UHFFFAOYSA-N 2 2 340.512 1.119 20 0 EDADLP CCN(CC)C(=O)CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000445988645 447212618 /nfs/dbraw/zinc/21/26/18/447212618.db2.gz BBHXSBOHFPPEED-UHFFFAOYSA-N 2 2 340.512 1.119 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000372726859 447249746 /nfs/dbraw/zinc/24/97/46/447249746.db2.gz LNHCDLYJXQZVNN-AWEZNQCLSA-N 2 2 348.466 1.790 20 0 EDADLP CN(C)c1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000372726859 447249750 /nfs/dbraw/zinc/24/97/50/447249750.db2.gz LNHCDLYJXQZVNN-AWEZNQCLSA-N 2 2 348.466 1.790 20 0 EDADLP CC(C)(C)OC(=O)CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000372781859 447283522 /nfs/dbraw/zinc/28/35/22/447283522.db2.gz NZLWGTRJQGKNFT-UHFFFAOYSA-N 2 2 341.496 1.104 20 0 EDADLP CC(C)(C)OC(=O)CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000372781859 447283525 /nfs/dbraw/zinc/28/35/25/447283525.db2.gz NZLWGTRJQGKNFT-UHFFFAOYSA-N 2 2 341.496 1.104 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000377671491 447286339 /nfs/dbraw/zinc/28/63/39/447286339.db2.gz UNGQYDYKIYZUOS-UHFFFAOYSA-N 2 2 333.480 1.305 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000369056169 447292858 /nfs/dbraw/zinc/29/28/58/447292858.db2.gz QNJPKDSDQMJAKK-HOTGVXAUSA-N 2 2 334.464 1.939 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000369056169 447292863 /nfs/dbraw/zinc/29/28/63/447292863.db2.gz QNJPKDSDQMJAKK-HOTGVXAUSA-N 2 2 334.464 1.939 20 0 EDADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377637979 447264091 /nfs/dbraw/zinc/26/40/91/447264091.db2.gz XFPJNNCAFMYESU-QGZVFWFLSA-N 2 2 347.507 1.879 20 0 EDADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377637979 447264095 /nfs/dbraw/zinc/26/40/95/447264095.db2.gz XFPJNNCAFMYESU-QGZVFWFLSA-N 2 2 347.507 1.879 20 0 EDADLP Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000415511443 447488765 /nfs/dbraw/zinc/48/87/65/447488765.db2.gz OZJNYKVANNNIJI-GFCCVEGCSA-N 2 2 342.399 1.832 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415527760 447496417 /nfs/dbraw/zinc/49/64/17/447496417.db2.gz RPXHDORTXPRPQH-QWHCGFSZSA-N 2 2 327.388 1.007 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000457124494 447528015 /nfs/dbraw/zinc/52/80/15/447528015.db2.gz NMIHKGTYWOUVTL-OAHLLOKOSA-N 2 2 328.416 1.070 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000457124494 447528023 /nfs/dbraw/zinc/52/80/23/447528023.db2.gz NMIHKGTYWOUVTL-OAHLLOKOSA-N 2 2 328.416 1.070 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415492661 447475343 /nfs/dbraw/zinc/47/53/43/447475343.db2.gz FZLMEDACTIVDTE-OAHLLOKOSA-N 2 2 343.431 1.659 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]c(C)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000459084873 447567028 /nfs/dbraw/zinc/56/70/28/447567028.db2.gz UUPDODQLEQVCAD-NVXWUHKLSA-N 2 2 334.464 1.685 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]c(C)cc2C)CC[N@H+]1C[C@@H](C)O ZINC000459084873 447567033 /nfs/dbraw/zinc/56/70/33/447567033.db2.gz UUPDODQLEQVCAD-NVXWUHKLSA-N 2 2 334.464 1.685 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000420138115 447629266 /nfs/dbraw/zinc/62/92/66/447629266.db2.gz XFSKWLZANVJTFQ-KFWWJZLASA-N 2 2 347.463 1.213 20 0 EDADLP CC[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459299174 447633837 /nfs/dbraw/zinc/63/38/37/447633837.db2.gz XDSOIIVTNXITMB-UAGQMJEPSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459299174 447633841 /nfs/dbraw/zinc/63/38/41/447633841.db2.gz XDSOIIVTNXITMB-UAGQMJEPSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1C ZINC000416909320 447704981 /nfs/dbraw/zinc/70/49/81/447704981.db2.gz FYVDFGSXYYAJAH-GJZGRUSLSA-N 2 2 327.432 1.823 20 0 EDADLP COc1ccc([C@H](NC(=O)NC[C@H]([NH3+])C2CC2)c2[nH+]ccn2C)cc1 ZINC000416907905 447705010 /nfs/dbraw/zinc/70/50/10/447705010.db2.gz NKYBGWYYLNUKAB-HOTGVXAUSA-N 2 2 343.431 1.555 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc(C)[nH+]1 ZINC000422593092 447661105 /nfs/dbraw/zinc/66/11/05/447661105.db2.gz UENJDWJDLXGBGF-MRXNPFEDSA-N 2 2 332.448 1.256 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc(C)[nH+]1 ZINC000422593092 447661109 /nfs/dbraw/zinc/66/11/09/447661109.db2.gz UENJDWJDLXGBGF-MRXNPFEDSA-N 2 2 332.448 1.256 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)Cc2[nH]cc[nH+]2)n1 ZINC000428107148 447674182 /nfs/dbraw/zinc/67/41/82/447674182.db2.gz KGBWIKMLGVDPGI-BBRMVZONSA-N 2 2 330.436 2.452 20 0 EDADLP COc1ccc([C@@H](NC(=O)N2CCC[C@H]2C[NH3+])c2[nH+]ccn2C)cc1 ZINC000416914272 447707923 /nfs/dbraw/zinc/70/79/23/447707923.db2.gz WXJGGNFOMHEGAG-GOEBONIOSA-N 2 2 343.431 1.651 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416923858 447711595 /nfs/dbraw/zinc/71/15/95/447711595.db2.gz WLZJGXDNEPUWGU-WQVCFCJDSA-N 2 2 345.422 1.946 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416925509 447711646 /nfs/dbraw/zinc/71/16/46/447711646.db2.gz YEOCYPNDHDGFAK-DOMZBBRYSA-N 2 2 333.411 1.946 20 0 EDADLP CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000451251429 447711844 /nfs/dbraw/zinc/71/18/44/447711844.db2.gz HNMORTCPGUFWFO-RBUKOAKNSA-N 2 2 345.487 1.424 20 0 EDADLP CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000451251429 447711847 /nfs/dbraw/zinc/71/18/47/447711847.db2.gz HNMORTCPGUFWFO-RBUKOAKNSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000416941043 447716799 /nfs/dbraw/zinc/71/67/99/447716799.db2.gz PTDXJQGIHDJOJF-GDBMZVCRSA-N 2 2 331.464 1.951 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCCC1 ZINC000416939760 447717523 /nfs/dbraw/zinc/71/75/23/447717523.db2.gz NMZPWONOQNSQOV-MRXNPFEDSA-N 2 2 331.464 1.999 20 0 EDADLP CCC(CC)[C@H](CNC(=O)NCC(F)(F)C[NH3+])[NH+]1CCOCC1 ZINC000416945979 447721599 /nfs/dbraw/zinc/72/15/99/447721599.db2.gz FQJCTGQCRPJXSW-ZDUSSCGKSA-N 2 2 336.427 1.017 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000422704333 447721786 /nfs/dbraw/zinc/72/17/86/447721786.db2.gz PITMSWRFCKNPNN-KCQAQPDRSA-N 2 2 341.477 1.012 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422713853 447725549 /nfs/dbraw/zinc/72/55/49/447725549.db2.gz KJGJSCFWHYFIQH-CEXWTWQISA-N 3 2 343.519 1.844 20 0 EDADLP [NH3+]C1CCC([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000422718565 447727387 /nfs/dbraw/zinc/72/73/87/447727387.db2.gz LGGOKSQUKAGPSZ-UHFFFAOYSA-N 3 2 333.476 1.757 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422747012 447737105 /nfs/dbraw/zinc/73/71/05/447737105.db2.gz XWDWWDWCOGAUFN-RHSMWYFYSA-N 2 2 339.505 1.745 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000422839356 447765307 /nfs/dbraw/zinc/76/53/07/447765307.db2.gz ZZADYKJVFXBQSY-HZPDHXFCSA-N 3 2 325.497 1.772 20 0 EDADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422793306 447751374 /nfs/dbraw/zinc/75/13/74/447751374.db2.gz XXZQLKRWUJQNSP-JOQOYGCGSA-N 2 2 344.459 1.182 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496290860 447752996 /nfs/dbraw/zinc/75/29/96/447752996.db2.gz HEOZWKQCQBNJNF-HZPDHXFCSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496290860 447753000 /nfs/dbraw/zinc/75/30/00/447753000.db2.gz HEOZWKQCQBNJNF-HZPDHXFCSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000496290860 447753005 /nfs/dbraw/zinc/75/30/05/447753005.db2.gz HEOZWKQCQBNJNF-HZPDHXFCSA-N 2 2 341.496 1.773 20 0 EDADLP CN(C(=O)OC(C)(C)C)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496290860 447753009 /nfs/dbraw/zinc/75/30/09/447753009.db2.gz HEOZWKQCQBNJNF-HZPDHXFCSA-N 2 2 341.496 1.773 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCNS(C)(=O)=O)[C@H]2CCC[NH2+]2)cc1 ZINC000422800556 447754464 /nfs/dbraw/zinc/75/44/64/447754464.db2.gz CFGCUVKYCXMPHQ-CVEARBPZSA-N 2 2 341.477 1.017 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C(CC)CC)[NH+]1CCCC1 ZINC000422821385 447759570 /nfs/dbraw/zinc/75/95/70/447759570.db2.gz VWDXUGJTYXAAHB-YESZJQIVSA-N 2 2 325.497 1.770 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000459899499 447775163 /nfs/dbraw/zinc/77/51/63/447775163.db2.gz HUHUURNPNUWTAJ-UHFFFAOYSA-N 2 2 349.479 1.093 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422937253 447776846 /nfs/dbraw/zinc/77/68/46/447776846.db2.gz JDJGTOONTYZVEG-DLBZAZTESA-N 2 2 339.505 1.947 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000430792648 447785397 /nfs/dbraw/zinc/78/53/97/447785397.db2.gz SLTFKFYQXJUBAV-QGZVFWFLSA-N 2 2 335.448 1.264 20 0 EDADLP Cc1nc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000488373372 447845733 /nfs/dbraw/zinc/84/57/33/447845733.db2.gz XFJDNSWKDOJYAT-CYBMUJFWSA-N 2 2 326.448 2.105 20 0 EDADLP Cc1cccc(N2CCC(Nc3nc(N(C)C)nc(C)[nH+]3)CC2)[nH+]1 ZINC000488401189 447846560 /nfs/dbraw/zinc/84/65/60/447846560.db2.gz UPPPCYGKAPTJIU-UHFFFAOYSA-N 2 2 327.436 2.030 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479772913 447824403 /nfs/dbraw/zinc/82/44/03/447824403.db2.gz JQUKJLZKNRFZHU-BARDWOONSA-N 2 2 347.459 1.421 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479772913 447824405 /nfs/dbraw/zinc/82/44/05/447824405.db2.gz JQUKJLZKNRFZHU-BARDWOONSA-N 2 2 347.459 1.421 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000575752683 447890571 /nfs/dbraw/zinc/89/05/71/447890571.db2.gz OIKHJFOYIBDCHZ-UHFFFAOYSA-N 2 2 332.492 1.108 20 0 EDADLP C[C@@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000496788300 447912944 /nfs/dbraw/zinc/91/29/44/447912944.db2.gz YRMMQHMLWOGYMG-MAUKXSAKSA-N 2 2 343.512 1.972 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000552905281 447964234 /nfs/dbraw/zinc/96/42/34/447964234.db2.gz WMUKANAOHLDAQD-LZWOXQAQSA-N 2 2 348.491 1.758 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000552905281 447964241 /nfs/dbraw/zinc/96/42/41/447964241.db2.gz WMUKANAOHLDAQD-LZWOXQAQSA-N 2 2 348.491 1.758 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000496836620 447955220 /nfs/dbraw/zinc/95/52/20/447955220.db2.gz HUKOWFWNBLLCPG-CABCVRRESA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000496836620 447955221 /nfs/dbraw/zinc/95/52/21/447955221.db2.gz HUKOWFWNBLLCPG-CABCVRRESA-N 2 2 327.469 1.432 20 0 EDADLP COc1ccnc2c(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cccc12 ZINC000569942544 447924633 /nfs/dbraw/zinc/92/46/33/447924633.db2.gz PSRSVCWQEMMIPE-LBPRGKRZSA-N 2 2 329.404 1.350 20 0 EDADLP COc1ccnc2c(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cccc12 ZINC000569942544 447924641 /nfs/dbraw/zinc/92/46/41/447924641.db2.gz PSRSVCWQEMMIPE-LBPRGKRZSA-N 2 2 329.404 1.350 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000569972818 447929694 /nfs/dbraw/zinc/92/96/94/447929694.db2.gz XBVBBVONGFLOTI-HNNXBMFYSA-N 2 2 339.480 1.393 20 0 EDADLP CC1(C)C[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000575933273 447933032 /nfs/dbraw/zinc/93/30/32/447933032.db2.gz IHFVWOZKAXKHFC-ROUUACIJSA-N 2 2 345.487 1.327 20 0 EDADLP CC1(C)C[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000575933273 447933035 /nfs/dbraw/zinc/93/30/35/447933035.db2.gz IHFVWOZKAXKHFC-ROUUACIJSA-N 2 2 345.487 1.327 20 0 EDADLP Cn1c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc2ccccc21 ZINC000530654288 447934464 /nfs/dbraw/zinc/93/44/64/447934464.db2.gz LDOLRACFOMFRRZ-UHFFFAOYSA-N 2 2 328.460 1.934 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H](C)O1 ZINC000576460290 448060887 /nfs/dbraw/zinc/06/08/87/448060887.db2.gz XGDZFMQMKJZHCS-GASCZTMLSA-N 2 2 334.464 1.330 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H](C)O1 ZINC000576460290 448060889 /nfs/dbraw/zinc/06/08/89/448060889.db2.gz XGDZFMQMKJZHCS-GASCZTMLSA-N 2 2 334.464 1.330 20 0 EDADLP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1=O ZINC000576338044 448030353 /nfs/dbraw/zinc/03/03/53/448030353.db2.gz FOADUJDNXBOOKU-KKUMJFAQSA-N 2 2 333.432 1.157 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554543758 448032749 /nfs/dbraw/zinc/03/27/49/448032749.db2.gz FIVWAGBDOJQTOW-ZDUSSCGKSA-N 2 2 325.376 1.733 20 0 EDADLP CC[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1)[NH+](CC)CC ZINC000570596869 448036179 /nfs/dbraw/zinc/03/61/79/448036179.db2.gz LVCRPTNDOYQFEQ-KRWDZBQOSA-N 2 2 346.479 1.766 20 0 EDADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c2cnn[nH]2)cc1 ZINC000576626978 448100153 /nfs/dbraw/zinc/10/01/53/448100153.db2.gz WDPGEVHAFZMWQK-SMDDNHRTSA-N 2 2 325.338 1.868 20 0 EDADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c2cn[nH]n2)cc1 ZINC000576626978 448100161 /nfs/dbraw/zinc/10/01/61/448100161.db2.gz WDPGEVHAFZMWQK-SMDDNHRTSA-N 2 2 325.338 1.868 20 0 EDADLP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000570795379 448065587 /nfs/dbraw/zinc/06/55/87/448065587.db2.gz RWJRRQYCTDOGGI-MSOLQXFVSA-N 2 2 334.460 1.632 20 0 EDADLP CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000570795379 448065590 /nfs/dbraw/zinc/06/55/90/448065590.db2.gz RWJRRQYCTDOGGI-MSOLQXFVSA-N 2 2 334.460 1.632 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000576713878 448123839 /nfs/dbraw/zinc/12/38/39/448123839.db2.gz FHRWQERRLDWTJR-GOSISDBHSA-N 2 2 341.459 1.448 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCO)CC1)c1ccc(Cl)cc1 ZINC000571580618 448174502 /nfs/dbraw/zinc/17/45/02/448174502.db2.gz ZIKQAXWVGWYKFA-OAHLLOKOSA-N 2 2 325.840 1.079 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)CCC(=O)N2 ZINC000531975005 448177582 /nfs/dbraw/zinc/17/75/82/448177582.db2.gz NOQLZDWZTGPYRS-GUYCJALGSA-N 2 2 344.459 1.562 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)CCC(=O)N2 ZINC000531975005 448177590 /nfs/dbraw/zinc/17/75/90/448177590.db2.gz NOQLZDWZTGPYRS-GUYCJALGSA-N 2 2 344.459 1.562 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000527246076 448192905 /nfs/dbraw/zinc/19/29/05/448192905.db2.gz LIUPPLIOFKECRW-UHFFFAOYSA-N 2 2 325.376 1.116 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000514735868 448197041 /nfs/dbraw/zinc/19/70/41/448197041.db2.gz HLPCHSYRJNCIHF-WBVHZDCISA-N 2 2 333.476 1.944 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000514735868 448197047 /nfs/dbraw/zinc/19/70/47/448197047.db2.gz HLPCHSYRJNCIHF-WBVHZDCISA-N 2 2 333.476 1.944 20 0 EDADLP Cc1cccn2c(CN3CC[NH+]([C@H]4CCNC(=O)CC4)CC3)c[nH+]c12 ZINC000571748338 448197742 /nfs/dbraw/zinc/19/77/42/448197742.db2.gz CBOAOHXJORFDGC-MRXNPFEDSA-N 2 2 341.459 1.429 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2cnn(C)c2)CC1 ZINC000514780683 448201584 /nfs/dbraw/zinc/20/15/84/448201584.db2.gz IUJVEBUMNQRQEY-SFHVURJKSA-N 2 2 347.507 1.936 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2cnn(C)c2)CC1 ZINC000514780683 448201588 /nfs/dbraw/zinc/20/15/88/448201588.db2.gz IUJVEBUMNQRQEY-SFHVURJKSA-N 2 2 347.507 1.936 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)CC3([NH+](C)C)CCC3)nc[nH+]2)C1 ZINC000514781186 448202141 /nfs/dbraw/zinc/20/21/41/448202141.db2.gz UKTCFYBIUOCAFS-GJZGRUSLSA-N 2 2 333.480 1.604 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000571534546 448168802 /nfs/dbraw/zinc/16/88/02/448168802.db2.gz IPYBHMGYANPMQD-MRXNPFEDSA-N 2 2 333.480 1.021 20 0 EDADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000582426085 448236504 /nfs/dbraw/zinc/23/65/04/448236504.db2.gz ZJVQGILSUQOTMX-QGZVFWFLSA-N 2 2 341.883 1.307 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000571939490 448239832 /nfs/dbraw/zinc/23/98/32/448239832.db2.gz OWVVJBJBWDZHLA-ZDUSSCGKSA-N 2 2 331.420 1.240 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000571939490 448239833 /nfs/dbraw/zinc/23/98/33/448239833.db2.gz OWVVJBJBWDZHLA-ZDUSSCGKSA-N 2 2 331.420 1.240 20 0 EDADLP C[C@H](COc1ccc(F)cc1F)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000514849089 448213355 /nfs/dbraw/zinc/21/33/55/448213355.db2.gz CSQKLXAKWHFPFE-YPMHNXCESA-N 2 2 342.390 1.016 20 0 EDADLP C[C@H](COc1ccc(F)cc1F)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000514849089 448213357 /nfs/dbraw/zinc/21/33/57/448213357.db2.gz CSQKLXAKWHFPFE-YPMHNXCESA-N 2 2 342.390 1.016 20 0 EDADLP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000515188176 448272401 /nfs/dbraw/zinc/27/24/01/448272401.db2.gz UPZYTRLIPGMDGW-KRWDZBQOSA-N 2 2 343.427 1.952 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Br ZINC000577267708 448251457 /nfs/dbraw/zinc/25/14/57/448251457.db2.gz TYPHXACFPIAOKR-GFCCVEGCSA-N 2 2 341.253 1.864 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1Br ZINC000577267708 448251463 /nfs/dbraw/zinc/25/14/63/448251463.db2.gz TYPHXACFPIAOKR-GFCCVEGCSA-N 2 2 341.253 1.864 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000591092799 448259498 /nfs/dbraw/zinc/25/94/98/448259498.db2.gz BROQGKSUDIHBRE-OAHLLOKOSA-N 2 2 331.464 1.509 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000591092799 448259501 /nfs/dbraw/zinc/25/95/01/448259501.db2.gz BROQGKSUDIHBRE-OAHLLOKOSA-N 2 2 331.464 1.509 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532441975 448260369 /nfs/dbraw/zinc/26/03/69/448260369.db2.gz SPQAEHUXKHPWRG-IXDOHACOSA-N 3 2 336.549 1.966 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000515144715 448265633 /nfs/dbraw/zinc/26/56/33/448265633.db2.gz AIYGNXHPNUVXEU-ZIAGYGMSSA-N 2 2 341.406 1.610 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000572027103 448265916 /nfs/dbraw/zinc/26/59/16/448265916.db2.gz ZASAQUIRLUUXLG-XDNAFOTISA-N 2 2 331.460 1.993 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000577502682 448314903 /nfs/dbraw/zinc/31/49/03/448314903.db2.gz DWJAKOHMGZROPX-INIZCTEOSA-N 2 2 332.448 1.632 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000582713377 448316947 /nfs/dbraw/zinc/31/69/47/448316947.db2.gz FEHAEDINMAJUMS-STQMWFEESA-N 2 2 330.354 1.574 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000582713377 448316950 /nfs/dbraw/zinc/31/69/50/448316950.db2.gz FEHAEDINMAJUMS-STQMWFEESA-N 2 2 330.354 1.574 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000591275576 448303624 /nfs/dbraw/zinc/30/36/24/448303624.db2.gz FLVFASWJRPAQMN-GOEBONIOSA-N 2 2 339.480 1.298 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000572309116 448341215 /nfs/dbraw/zinc/34/12/15/448341215.db2.gz DHVWQJKMRFCNLK-CHWSQXEVSA-N 2 2 346.397 1.988 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000572309116 448341223 /nfs/dbraw/zinc/34/12/23/448341223.db2.gz DHVWQJKMRFCNLK-CHWSQXEVSA-N 2 2 346.397 1.988 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCC1(c2ccccc2)CC1 ZINC000572374429 448360730 /nfs/dbraw/zinc/36/07/30/448360730.db2.gz NNSUDJFSTMTUOP-UHFFFAOYSA-N 2 2 339.443 1.380 20 0 EDADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000572263889 448331040 /nfs/dbraw/zinc/33/10/40/448331040.db2.gz ACMRPZVDOIENFS-ARFHVFGLSA-N 2 2 332.448 1.495 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@@H](C)[C@H](C)[NH+]3CCOCC3)[nH+]c12 ZINC000591345995 448332867 /nfs/dbraw/zinc/33/28/67/448332867.db2.gz VAERSGWOEKNLOC-GJZGRUSLSA-N 2 2 330.432 1.411 20 0 EDADLP c1cc2ccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)cc2[nH]1 ZINC000527660263 448333122 /nfs/dbraw/zinc/33/31/22/448333122.db2.gz FPACIVKFDSLCTL-SFHVURJKSA-N 2 2 328.460 1.664 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000516185075 448393937 /nfs/dbraw/zinc/39/39/37/448393937.db2.gz QEXJDNGZXFLJOW-IEBWSBKVSA-N 2 2 333.476 1.820 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000516185075 448393943 /nfs/dbraw/zinc/39/39/43/448393943.db2.gz QEXJDNGZXFLJOW-IEBWSBKVSA-N 2 2 333.476 1.820 20 0 EDADLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc2c(c1)OCO2 ZINC000577841211 448398452 /nfs/dbraw/zinc/39/84/52/448398452.db2.gz AOAZDQFMACIZAO-LLVKDONJSA-N 2 2 329.404 1.851 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000591504799 448380310 /nfs/dbraw/zinc/38/03/10/448380310.db2.gz LRNZPKIHSIRQEC-XHSDSOJGSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000591504799 448380316 /nfs/dbraw/zinc/38/03/16/448380316.db2.gz LRNZPKIHSIRQEC-XHSDSOJGSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866439 448426312 /nfs/dbraw/zinc/42/63/12/448426312.db2.gz GDOAGPCGJSDZLJ-OCCSQVGLSA-N 2 2 341.415 1.336 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866439 448426317 /nfs/dbraw/zinc/42/63/17/448426317.db2.gz GDOAGPCGJSDZLJ-OCCSQVGLSA-N 2 2 341.415 1.336 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000566294860 448438331 /nfs/dbraw/zinc/43/83/31/448438331.db2.gz KWLVBDDJMIGAOY-ROUUACIJSA-N 2 2 333.476 1.954 20 0 EDADLP C[C@@H](CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)n1cc[nH+]c1 ZINC000516575133 448442860 /nfs/dbraw/zinc/44/28/60/448442860.db2.gz ZAAZMCHHGVPBSF-INIZCTEOSA-N 2 2 342.443 1.983 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)no1 ZINC000516591197 448445401 /nfs/dbraw/zinc/44/54/01/448445401.db2.gz SMDSUVAPIAJROI-UHFFFAOYSA-N 2 2 343.362 2.426 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000578063841 448451729 /nfs/dbraw/zinc/45/17/29/448451729.db2.gz AXWNQEOLEODCGG-OMWUSAIZSA-N 2 2 332.444 1.701 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000578063841 448451739 /nfs/dbraw/zinc/45/17/39/448451739.db2.gz AXWNQEOLEODCGG-OMWUSAIZSA-N 2 2 332.444 1.701 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N[C@H]1CCOc2ccccc21 ZINC000578080256 448457490 /nfs/dbraw/zinc/45/74/90/448457490.db2.gz RKIYYNUNYOQYJQ-HNNXBMFYSA-N 2 2 341.415 1.172 20 0 EDADLP CN1CCN(c2cc(NC[C@@H]3CC[N@@H+]3C3CCCC3)nc[nH+]2)CC1=O ZINC000528210954 448459808 /nfs/dbraw/zinc/45/98/08/448459808.db2.gz RDKSTHSVELNCDE-HNNXBMFYSA-N 2 2 344.463 1.184 20 0 EDADLP CN1CCN(c2cc(NC[C@@H]3CC[N@H+]3C3CCCC3)nc[nH+]2)CC1=O ZINC000528210954 448459813 /nfs/dbraw/zinc/45/98/13/448459813.db2.gz RDKSTHSVELNCDE-HNNXBMFYSA-N 2 2 344.463 1.184 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)CC(F)(F)C[NH3+])CC2)cc1 ZINC000566405606 448462381 /nfs/dbraw/zinc/46/23/81/448462381.db2.gz BDJWKNUZGREPMK-UHFFFAOYSA-N 2 2 341.402 1.714 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)CC(F)(F)C[NH3+])CC2)cc1 ZINC000566405606 448462387 /nfs/dbraw/zinc/46/23/87/448462387.db2.gz BDJWKNUZGREPMK-UHFFFAOYSA-N 2 2 341.402 1.714 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC(OCC[NH+](C)C)CC3)ccn12 ZINC000584300230 448478330 /nfs/dbraw/zinc/47/83/30/448478330.db2.gz KZFNKSWLTWTEKI-UHFFFAOYSA-N 2 2 330.432 1.826 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cccc3[nH]ccc32)C[C@@H](C)O1 ZINC000572870803 448486905 /nfs/dbraw/zinc/48/69/05/448486905.db2.gz DJAVZXHOTKJHMW-INMHGKMJSA-N 2 2 331.460 1.770 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(-c4ccncc4)cc3F)CCN2C1=O ZINC000566490209 448490916 /nfs/dbraw/zinc/49/09/16/448490916.db2.gz DUBKYZAOAKEOJE-WMZOPIPTSA-N 2 2 340.402 1.632 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CCN2C1=O ZINC000566490209 448490921 /nfs/dbraw/zinc/49/09/21/448490921.db2.gz DUBKYZAOAKEOJE-WMZOPIPTSA-N 2 2 340.402 1.632 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000584359221 448498149 /nfs/dbraw/zinc/49/81/49/448498149.db2.gz VHPOKLDVVGEQJC-IEBWSBKVSA-N 3 2 344.503 1.451 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000584359221 448498152 /nfs/dbraw/zinc/49/81/52/448498152.db2.gz VHPOKLDVVGEQJC-IEBWSBKVSA-N 3 2 344.503 1.451 20 0 EDADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+](C2CC2)C1 ZINC000566897572 448579380 /nfs/dbraw/zinc/57/93/80/448579380.db2.gz SASMGRJVMGLXOY-CYBMUJFWSA-N 2 2 341.415 1.216 20 0 EDADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+](C2CC2)C1 ZINC000566897572 448579385 /nfs/dbraw/zinc/57/93/85/448579385.db2.gz SASMGRJVMGLXOY-CYBMUJFWSA-N 2 2 341.415 1.216 20 0 EDADLP CC(C)(C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000578527441 448572462 /nfs/dbraw/zinc/57/24/62/448572462.db2.gz CYHAPRTZXNEQNH-QGZVFWFLSA-N 2 2 341.459 1.780 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000528532330 448573140 /nfs/dbraw/zinc/57/31/40/448573140.db2.gz VNGXTIBPUGGICB-KCEFYPGHSA-N 2 2 337.508 1.673 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000528532330 448573144 /nfs/dbraw/zinc/57/31/44/448573144.db2.gz VNGXTIBPUGGICB-KCEFYPGHSA-N 2 2 337.508 1.673 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000566678908 448537106 /nfs/dbraw/zinc/53/71/06/448537106.db2.gz LSQXZIYTVLGVBI-RTBURBONSA-N 2 2 336.476 1.029 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000566678908 448537113 /nfs/dbraw/zinc/53/71/13/448537113.db2.gz LSQXZIYTVLGVBI-RTBURBONSA-N 2 2 336.476 1.029 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000578450407 448549831 /nfs/dbraw/zinc/54/98/31/448549831.db2.gz AEVJJLUNECXZAN-SRCQZFHVSA-N 2 2 341.402 1.139 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000578450407 448549834 /nfs/dbraw/zinc/54/98/34/448549834.db2.gz AEVJJLUNECXZAN-SRCQZFHVSA-N 2 2 341.402 1.139 20 0 EDADLP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000584519368 448554030 /nfs/dbraw/zinc/55/40/30/448554030.db2.gz FEFUDCHJUPDYPV-GJZGRUSLSA-N 2 2 326.391 1.700 20 0 EDADLP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000584519368 448554034 /nfs/dbraw/zinc/55/40/34/448554034.db2.gz FEFUDCHJUPDYPV-GJZGRUSLSA-N 2 2 326.391 1.700 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cncn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000584604424 448584205 /nfs/dbraw/zinc/58/42/05/448584205.db2.gz SAZNWWNDBZEEIQ-HNNXBMFYSA-N 2 2 342.447 1.421 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000517538370 448590889 /nfs/dbraw/zinc/59/08/89/448590889.db2.gz IDWMFHGBTNHISK-NJAFHUGGSA-N 2 2 346.475 1.185 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000517538370 448590891 /nfs/dbraw/zinc/59/08/91/448590891.db2.gz IDWMFHGBTNHISK-NJAFHUGGSA-N 2 2 346.475 1.185 20 0 EDADLP O=C(COC1CC[NH2+]CC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000517560936 448593202 /nfs/dbraw/zinc/59/32/02/448593202.db2.gz DRYGKDNHUFHGEV-UHFFFAOYSA-N 2 2 328.416 1.316 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)CC(F)(F)C[NH3+])CC2)cn1 ZINC000517580630 448596051 /nfs/dbraw/zinc/59/60/51/448596051.db2.gz AENQWYMCVJYCHX-UHFFFAOYSA-N 2 2 343.422 1.312 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)CC(F)(F)C[NH3+])CC2)cn1 ZINC000517580630 448596055 /nfs/dbraw/zinc/59/60/55/448596055.db2.gz AENQWYMCVJYCHX-UHFFFAOYSA-N 2 2 343.422 1.312 20 0 EDADLP CC1(C)C[NH+](CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000573504410 448644257 /nfs/dbraw/zinc/64/42/57/448644257.db2.gz NZSLSBXUIQWRHB-LJQANCHMSA-N 2 2 331.460 1.081 20 0 EDADLP CC1(C)C[NH+](CC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000573504410 448644265 /nfs/dbraw/zinc/64/42/65/448644265.db2.gz NZSLSBXUIQWRHB-LJQANCHMSA-N 2 2 331.460 1.081 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000567232887 448644973 /nfs/dbraw/zinc/64/49/73/448644973.db2.gz OPBXWYDYQCJWHB-GOSISDBHSA-N 2 2 332.492 1.385 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000567262397 448652352 /nfs/dbraw/zinc/65/23/52/448652352.db2.gz NDAQNXSRCIMRQG-XCRHUMRWSA-N 2 2 348.443 1.285 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000567262397 448652359 /nfs/dbraw/zinc/65/23/59/448652359.db2.gz NDAQNXSRCIMRQG-XCRHUMRWSA-N 2 2 348.443 1.285 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000518384954 448673147 /nfs/dbraw/zinc/67/31/47/448673147.db2.gz LGTFQFPDPPDFQD-IAGOWNOFSA-N 2 2 346.475 1.325 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000541397178 448673682 /nfs/dbraw/zinc/67/36/82/448673682.db2.gz ZWVVRCYFROXWSJ-VQIMIIECSA-N 2 2 343.471 1.537 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000541397178 448673684 /nfs/dbraw/zinc/67/36/84/448673684.db2.gz ZWVVRCYFROXWSJ-VQIMIIECSA-N 2 2 343.471 1.537 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000573624314 448674019 /nfs/dbraw/zinc/67/40/19/448674019.db2.gz VVIJGPWHAQOLOP-SJLPKXTDSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000573624314 448674027 /nfs/dbraw/zinc/67/40/27/448674027.db2.gz VVIJGPWHAQOLOP-SJLPKXTDSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573624314 448674032 /nfs/dbraw/zinc/67/40/32/448674032.db2.gz VVIJGPWHAQOLOP-SJLPKXTDSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573624314 448674039 /nfs/dbraw/zinc/67/40/39/448674039.db2.gz VVIJGPWHAQOLOP-SJLPKXTDSA-N 2 2 331.460 1.345 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3NC(=O)C2)CC1 ZINC000518560259 448691941 /nfs/dbraw/zinc/69/19/41/448691941.db2.gz WMWXPMJQUYWECM-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3NC(=O)C2)CC1 ZINC000518560259 448691946 /nfs/dbraw/zinc/69/19/46/448691946.db2.gz WMWXPMJQUYWECM-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000518727292 448702669 /nfs/dbraw/zinc/70/26/69/448702669.db2.gz HWKGPNUAOZNWLR-OAHLLOKOSA-N 2 2 345.447 1.585 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C[C@@H](C)O1 ZINC000518758313 448706474 /nfs/dbraw/zinc/70/64/74/448706474.db2.gz ZCADOTQGNDWUOZ-FTEYMNFISA-N 2 2 347.503 1.573 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000528905802 448708178 /nfs/dbraw/zinc/70/81/78/448708178.db2.gz JKIFIWKTCIMWPT-OMTVMRPGSA-N 2 2 349.519 1.815 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000528905802 448708185 /nfs/dbraw/zinc/70/81/85/448708185.db2.gz JKIFIWKTCIMWPT-OMTVMRPGSA-N 2 2 349.519 1.815 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)CCC2 ZINC000518847316 448716187 /nfs/dbraw/zinc/71/61/87/448716187.db2.gz HJJOWFUCNIZHSD-CABCVRRESA-N 2 2 327.432 1.953 20 0 EDADLP COCCOC[C@@H](O)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000519143254 448746100 /nfs/dbraw/zinc/74/61/00/448746100.db2.gz PRDUDQXJRNAZIC-ZDUSSCGKSA-N 2 2 339.823 1.639 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529283338 448806160 /nfs/dbraw/zinc/80/61/60/448806160.db2.gz CFLMLEVTKUQRAD-OAHLLOKOSA-N 2 2 329.448 1.766 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+](C2CCC2)C1 ZINC000579545685 448815152 /nfs/dbraw/zinc/81/51/52/448815152.db2.gz LXBRSERIFQPILD-KGLIPLIRSA-N 2 2 331.464 1.783 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+](C2CCC2)C1 ZINC000579545685 448815155 /nfs/dbraw/zinc/81/51/55/448815155.db2.gz LXBRSERIFQPILD-KGLIPLIRSA-N 2 2 331.464 1.783 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+](C2CCC2)C1 ZINC000579545685 448815158 /nfs/dbraw/zinc/81/51/58/448815158.db2.gz LXBRSERIFQPILD-KGLIPLIRSA-N 2 2 331.464 1.783 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+](C2CCC2)C1 ZINC000579545685 448815160 /nfs/dbraw/zinc/81/51/60/448815160.db2.gz LXBRSERIFQPILD-KGLIPLIRSA-N 2 2 331.464 1.783 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000529290986 448809547 /nfs/dbraw/zinc/80/95/47/448809547.db2.gz VNSNMGSOGUSORE-INIZCTEOSA-N 2 2 331.464 1.821 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000567854144 448774073 /nfs/dbraw/zinc/77/40/73/448774073.db2.gz DGRUSGXWUPBGOJ-QGZVFWFLSA-N 2 2 327.432 1.661 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000567854144 448774076 /nfs/dbraw/zinc/77/40/76/448774076.db2.gz DGRUSGXWUPBGOJ-QGZVFWFLSA-N 2 2 327.432 1.661 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000574045290 448778072 /nfs/dbraw/zinc/77/80/72/448778072.db2.gz PHMSENMODZYEOM-LJQANCHMSA-N 2 2 341.459 1.926 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000574045290 448778078 /nfs/dbraw/zinc/77/80/78/448778078.db2.gz PHMSENMODZYEOM-LJQANCHMSA-N 2 2 341.459 1.926 20 0 EDADLP COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519598298 448796280 /nfs/dbraw/zinc/79/62/80/448796280.db2.gz AEKZAICPCPSTRR-CVEARBPZSA-N 2 2 331.460 1.607 20 0 EDADLP COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519598298 448796282 /nfs/dbraw/zinc/79/62/82/448796282.db2.gz AEKZAICPCPSTRR-CVEARBPZSA-N 2 2 331.460 1.607 20 0 EDADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519690631 448819837 /nfs/dbraw/zinc/81/98/37/448819837.db2.gz HFLGRJZPQJFCFJ-PBFPGSCMSA-N 2 2 334.439 1.733 20 0 EDADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519690631 448819839 /nfs/dbraw/zinc/81/98/39/448819839.db2.gz HFLGRJZPQJFCFJ-PBFPGSCMSA-N 2 2 334.439 1.733 20 0 EDADLP CC(C)Oc1ccccc1[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579571268 448823934 /nfs/dbraw/zinc/82/39/34/448823934.db2.gz UFENQUFOHUXCMY-GJZGRUSLSA-N 2 2 334.464 1.819 20 0 EDADLP CC(C)Oc1ccccc1[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579571268 448823940 /nfs/dbraw/zinc/82/39/40/448823940.db2.gz UFENQUFOHUXCMY-GJZGRUSLSA-N 2 2 334.464 1.819 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)CCO1 ZINC000586870638 448829926 /nfs/dbraw/zinc/82/99/26/448829926.db2.gz QASCJMMVSUOPHM-UHFFFAOYSA-N 2 2 346.475 1.412 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)CCO1 ZINC000586870638 448829930 /nfs/dbraw/zinc/82/99/30/448829930.db2.gz QASCJMMVSUOPHM-UHFFFAOYSA-N 2 2 346.475 1.412 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000529367182 448843211 /nfs/dbraw/zinc/84/32/11/448843211.db2.gz MWBMUEVNQCLUMM-CQSZACIVSA-N 2 2 334.468 1.714 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529368363 448843678 /nfs/dbraw/zinc/84/36/78/448843678.db2.gz UZYQZSKJNUXDDY-UKRRQHHQSA-N 2 2 348.495 1.947 20 0 EDADLP CCC[C@H](C)[C@H](CO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000574455927 448878272 /nfs/dbraw/zinc/87/82/72/448878272.db2.gz FSMCTGFLRWKMPJ-IRXDYDNUSA-N 2 2 348.491 1.507 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000592488798 448859035 /nfs/dbraw/zinc/85/90/35/448859035.db2.gz OFMVBEUPZWESMY-YPMHNXCESA-N 2 2 348.403 1.123 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC[C@@H]1[NH3+] ZINC000592488798 448859041 /nfs/dbraw/zinc/85/90/41/448859041.db2.gz OFMVBEUPZWESMY-YPMHNXCESA-N 2 2 348.403 1.123 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000592489120 448859625 /nfs/dbraw/zinc/85/96/25/448859625.db2.gz QUTRRWYZAADKDR-XJKSGUPXSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000592489120 448859629 /nfs/dbraw/zinc/85/96/29/448859629.db2.gz QUTRRWYZAADKDR-XJKSGUPXSA-N 2 2 333.432 1.861 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000574529763 448897903 /nfs/dbraw/zinc/89/79/03/448897903.db2.gz ZWKIFMGIGQJLMW-QGZVFWFLSA-N 3 2 336.524 1.395 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000574529763 448897907 /nfs/dbraw/zinc/89/79/07/448897907.db2.gz ZWKIFMGIGQJLMW-QGZVFWFLSA-N 3 2 336.524 1.395 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c[nH+]cn1C ZINC000529717843 448935264 /nfs/dbraw/zinc/93/52/64/448935264.db2.gz PUEIIPBZGSRTLS-DOTOQJQBSA-N 2 2 333.480 1.546 20 0 EDADLP CN(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1c[nH+]cn1C ZINC000529717843 448935268 /nfs/dbraw/zinc/93/52/68/448935268.db2.gz PUEIIPBZGSRTLS-DOTOQJQBSA-N 2 2 333.480 1.546 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568856546 448927253 /nfs/dbraw/zinc/92/72/53/448927253.db2.gz VGLRJHIAXXRYDF-HRCADAONSA-N 2 2 339.867 1.826 20 0 EDADLP COCC[N@H+](C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000588966815 448954737 /nfs/dbraw/zinc/95/47/37/448954737.db2.gz OMRCYBAGJZAZDL-INIZCTEOSA-N 2 2 345.447 1.387 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000588966815 448954740 /nfs/dbraw/zinc/95/47/40/448954740.db2.gz OMRCYBAGJZAZDL-INIZCTEOSA-N 2 2 345.447 1.387 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNc2nc(N(C)C)c3ccccc3[nH+]2)CC1 ZINC000581112615 448966228 /nfs/dbraw/zinc/96/62/28/448966228.db2.gz CGPXILZUGJBDKZ-OAHLLOKOSA-N 2 2 343.475 2.201 20 0 EDADLP CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000589162395 448979712 /nfs/dbraw/zinc/97/97/12/448979712.db2.gz UGRYDHGLVLIRMB-ZDUSSCGKSA-N 2 2 338.477 1.266 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000589162395 448979714 /nfs/dbraw/zinc/97/97/14/448979714.db2.gz UGRYDHGLVLIRMB-ZDUSSCGKSA-N 2 2 338.477 1.266 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000589162395 448979716 /nfs/dbraw/zinc/97/97/16/448979716.db2.gz UGRYDHGLVLIRMB-ZDUSSCGKSA-N 2 2 338.477 1.266 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000589162395 448979719 /nfs/dbraw/zinc/97/97/19/448979719.db2.gz UGRYDHGLVLIRMB-ZDUSSCGKSA-N 2 2 338.477 1.266 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC000592779160 448983933 /nfs/dbraw/zinc/98/39/33/448983933.db2.gz BSYIABAQVIAQDT-YPMHNXCESA-N 2 2 333.392 1.020 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC000592779160 448983938 /nfs/dbraw/zinc/98/39/38/448983938.db2.gz BSYIABAQVIAQDT-YPMHNXCESA-N 2 2 333.392 1.020 20 0 EDADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000547820820 448937227 /nfs/dbraw/zinc/93/72/27/448937227.db2.gz IOLGYNSUXOADLA-LJQANCHMSA-N 2 2 327.428 1.913 20 0 EDADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000547820820 448937231 /nfs/dbraw/zinc/93/72/31/448937231.db2.gz IOLGYNSUXOADLA-LJQANCHMSA-N 2 2 327.428 1.913 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccccc1F ZINC000568926623 448939012 /nfs/dbraw/zinc/93/90/12/448939012.db2.gz CUWCYWPSINYJPC-YOEHRIQHSA-N 2 2 332.423 1.693 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1F ZINC000568926623 448939015 /nfs/dbraw/zinc/93/90/15/448939015.db2.gz CUWCYWPSINYJPC-YOEHRIQHSA-N 2 2 332.423 1.693 20 0 EDADLP CC[NH+]1CCC(CNC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000568973654 448946406 /nfs/dbraw/zinc/94/64/06/448946406.db2.gz NNVSTIZOEKEUCM-UHFFFAOYSA-N 2 2 332.448 1.163 20 0 EDADLP Fc1ccc(-c2noc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000582039352 448994146 /nfs/dbraw/zinc/99/41/46/448994146.db2.gz FANFOLAMVVWZLB-UHFFFAOYSA-N 2 2 328.351 1.921 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000521565912 448994949 /nfs/dbraw/zinc/99/49/49/448994949.db2.gz OYXNDHSZNCGKTE-MAUKXSAKSA-N 2 2 342.443 1.597 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000521565912 448994953 /nfs/dbraw/zinc/99/49/53/448994953.db2.gz OYXNDHSZNCGKTE-MAUKXSAKSA-N 2 2 342.443 1.597 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH+]1CCCC1 ZINC000548191683 449002248 /nfs/dbraw/zinc/00/22/48/449002248.db2.gz JPIANNZEKFBDBQ-KRWDZBQOSA-N 2 2 342.443 1.925 20 0 EDADLP CCCOc1cccc2c(N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cc[nH+]c12 ZINC000582191972 449035465 /nfs/dbraw/zinc/03/54/65/449035465.db2.gz SIFVUASACALUOZ-HIFRSBDPSA-N 2 2 340.427 1.772 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000521924111 449028253 /nfs/dbraw/zinc/02/82/53/449028253.db2.gz DYXWRISYAWADQY-WBVHZDCISA-N 2 2 328.416 1.394 20 0 EDADLP CCCCNC(=O)C[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000589707056 449054913 /nfs/dbraw/zinc/05/49/13/449054913.db2.gz YZFINUFVHZMQJW-UHFFFAOYSA-N 2 2 348.491 1.741 20 0 EDADLP Cc1cccc(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)n1 ZINC000569606366 449056130 /nfs/dbraw/zinc/05/61/30/449056130.db2.gz CTKNLSIRAKRTOZ-IBGZPJMESA-N 2 2 349.438 1.821 20 0 EDADLP O=C(COc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2)NCC1CC1 ZINC000530244680 449092152 /nfs/dbraw/zinc/09/21/52/449092152.db2.gz MPNIPIYTMLHNCK-SFHVURJKSA-N 2 2 343.471 1.966 20 0 EDADLP CCCn1nc(C)c(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1C ZINC000530242117 449092227 /nfs/dbraw/zinc/09/22/27/449092227.db2.gz KWHBCAAKXGMITD-UHFFFAOYSA-N 2 2 348.495 1.053 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C[C@H]1C[NH3+] ZINC000593737164 449172235 /nfs/dbraw/zinc/17/22/35/449172235.db2.gz QTGNZHPQTHWGKN-GDBMZVCRSA-N 2 2 348.447 1.247 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C[C@H]1C[NH3+] ZINC000593737164 449172239 /nfs/dbraw/zinc/17/22/39/449172239.db2.gz QTGNZHPQTHWGKN-GDBMZVCRSA-N 2 2 348.447 1.247 20 0 EDADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331505 449207283 /nfs/dbraw/zinc/20/72/83/449207283.db2.gz QIEZRPUGFGWAJF-RDJZCZTQSA-N 2 2 330.476 1.860 20 0 EDADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331505 449207287 /nfs/dbraw/zinc/20/72/87/449207287.db2.gz QIEZRPUGFGWAJF-RDJZCZTQSA-N 2 2 330.476 1.860 20 0 EDADLP c1cc2cccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)c2[nH]1 ZINC000604418158 449228249 /nfs/dbraw/zinc/22/82/49/449228249.db2.gz JNYULDYKEFSRCT-GOSISDBHSA-N 2 2 328.460 1.664 20 0 EDADLP COc1ccnc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604745411 449288880 /nfs/dbraw/zinc/28/88/80/449288880.db2.gz HLKFJRBAPOOWNE-OAHLLOKOSA-N 2 2 332.448 1.331 20 0 EDADLP COc1ccnc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604745411 449288885 /nfs/dbraw/zinc/28/88/85/449288885.db2.gz HLKFJRBAPOOWNE-OAHLLOKOSA-N 2 2 332.448 1.331 20 0 EDADLP Cc1cccn2cc(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)[nH+]c12 ZINC000590790692 449296126 /nfs/dbraw/zinc/29/61/26/449296126.db2.gz SUSNMJJBDZUTNJ-UHFFFAOYSA-N 2 2 341.459 1.383 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2C(=O)OC)CC1 ZINC000611577702 449343793 /nfs/dbraw/zinc/34/37/93/449343793.db2.gz VHQUUZMOBHZMIS-OAHLLOKOSA-N 2 2 325.453 1.005 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2C(=O)OC)CC1 ZINC000611577702 449343799 /nfs/dbraw/zinc/34/37/99/449343799.db2.gz VHQUUZMOBHZMIS-OAHLLOKOSA-N 2 2 325.453 1.005 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000602131047 449369519 /nfs/dbraw/zinc/36/95/19/449369519.db2.gz RDSJVARGGQLMEA-AWEZNQCLSA-N 2 2 336.436 1.102 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000602131047 449369523 /nfs/dbraw/zinc/36/95/23/449369523.db2.gz RDSJVARGGQLMEA-AWEZNQCLSA-N 2 2 336.436 1.102 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4S3)C2)CC1 ZINC000602199925 449428896 /nfs/dbraw/zinc/42/88/96/449428896.db2.gz BPHWYOJZHKDQTF-QAPCUYQASA-N 2 2 345.512 1.988 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3Cc4ccccc4S3)C2)CC1 ZINC000602199925 449428902 /nfs/dbraw/zinc/42/89/02/449428902.db2.gz BPHWYOJZHKDQTF-QAPCUYQASA-N 2 2 345.512 1.988 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614091794 449454856 /nfs/dbraw/zinc/45/48/56/449454856.db2.gz BMRUSYVGSNFXGY-SQNIBIBYSA-N 2 2 346.450 1.691 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614091794 449454861 /nfs/dbraw/zinc/45/48/61/449454861.db2.gz BMRUSYVGSNFXGY-SQNIBIBYSA-N 2 2 346.450 1.691 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614135051 449475458 /nfs/dbraw/zinc/47/54/58/449475458.db2.gz RVIPQOLLCQFRCN-FVQBIDKESA-N 2 2 332.448 1.235 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614135051 449475460 /nfs/dbraw/zinc/47/54/60/449475460.db2.gz RVIPQOLLCQFRCN-FVQBIDKESA-N 2 2 332.448 1.235 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC[NH+](C)CC1 ZINC000606669802 449502520 /nfs/dbraw/zinc/50/25/20/449502520.db2.gz IFTLLQHJUVBBJM-AWEZNQCLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)C1CC[NH+](C)CC1 ZINC000606669802 449502525 /nfs/dbraw/zinc/50/25/25/449502525.db2.gz IFTLLQHJUVBBJM-AWEZNQCLSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000600723409 449518197 /nfs/dbraw/zinc/51/81/97/449518197.db2.gz NRSXBRFGXBMINW-HNNXBMFYSA-N 2 2 327.450 1.080 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn4ccccc34)C2)CC1 ZINC000602330245 449518735 /nfs/dbraw/zinc/51/87/35/449518735.db2.gz IXABGCJBMITFQM-CQSZACIVSA-N 2 2 327.432 1.233 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn4ccccc34)C2)CC1 ZINC000602330245 449518737 /nfs/dbraw/zinc/51/87/37/449518737.db2.gz IXABGCJBMITFQM-CQSZACIVSA-N 2 2 327.432 1.233 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614455069 449620890 /nfs/dbraw/zinc/62/08/90/449620890.db2.gz ZHWJXKVRVPXMRS-QGZVFWFLSA-N 2 2 346.475 1.475 20 0 EDADLP C[C@@H](C[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C)Cn1cc[nH+]c1 ZINC000602528901 449653186 /nfs/dbraw/zinc/65/31/86/449653186.db2.gz PHOQACBQMNBATH-ZDUSSCGKSA-N 2 2 333.436 1.998 20 0 EDADLP COc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OC(C)C ZINC000594740385 449660035 /nfs/dbraw/zinc/66/00/35/449660035.db2.gz XPLBYZQWSCLINO-LSDHHAIUSA-N 2 2 333.432 1.226 20 0 EDADLP COc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1OC(C)C ZINC000594740385 449660042 /nfs/dbraw/zinc/66/00/42/449660042.db2.gz XPLBYZQWSCLINO-LSDHHAIUSA-N 2 2 333.432 1.226 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OCC3CC3)CCN2C1=O ZINC000594739317 449660199 /nfs/dbraw/zinc/66/01/99/449660199.db2.gz VCIHGBWAKRKIDG-CVEARBPZSA-N 2 2 349.862 1.873 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)CCN2C1=O ZINC000594739317 449660202 /nfs/dbraw/zinc/66/02/02/449660202.db2.gz VCIHGBWAKRKIDG-CVEARBPZSA-N 2 2 349.862 1.873 20 0 EDADLP CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000602563039 449676722 /nfs/dbraw/zinc/67/67/22/449676722.db2.gz DBUCZRNNBWDHEH-VVBPWWLESA-N 2 2 330.538 1.891 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617724187 449780968 /nfs/dbraw/zinc/78/09/68/449780968.db2.gz WQNWUPREZZMEFV-YQVWRLOYSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617724187 449780973 /nfs/dbraw/zinc/78/09/73/449780973.db2.gz WQNWUPREZZMEFV-YQVWRLOYSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617724187 449780979 /nfs/dbraw/zinc/78/09/79/449780979.db2.gz WQNWUPREZZMEFV-YQVWRLOYSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CO1 ZINC000617724187 449780986 /nfs/dbraw/zinc/78/09/86/449780986.db2.gz WQNWUPREZZMEFV-YQVWRLOYSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000617739412 449803401 /nfs/dbraw/zinc/80/34/01/449803401.db2.gz YMIQPPNRUHTUSN-CABCVRRESA-N 2 2 328.416 1.711 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000617739412 449803409 /nfs/dbraw/zinc/80/34/09/449803409.db2.gz YMIQPPNRUHTUSN-CABCVRRESA-N 2 2 328.416 1.711 20 0 EDADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000597086831 449805059 /nfs/dbraw/zinc/80/50/59/449805059.db2.gz BGQDDXLUSCILCO-SJORKVTESA-N 2 2 344.415 1.810 20 0 EDADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000597086831 449805062 /nfs/dbraw/zinc/80/50/62/449805062.db2.gz BGQDDXLUSCILCO-SJORKVTESA-N 2 2 344.415 1.810 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)cc2ccncc21 ZINC000617763232 449823279 /nfs/dbraw/zinc/82/32/79/449823279.db2.gz KENLSYYFERCULF-UHFFFAOYSA-N 2 2 332.423 1.987 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)cc2ccncc21 ZINC000617763232 449823284 /nfs/dbraw/zinc/82/32/84/449823284.db2.gz KENLSYYFERCULF-UHFFFAOYSA-N 2 2 332.423 1.987 20 0 EDADLP COC(=O)c1cn([C@H]2CC[N@H+](Cc3c(C)cc(C)[nH+]c3C)C2)nn1 ZINC000602810040 449825066 /nfs/dbraw/zinc/82/50/66/449825066.db2.gz KCYSRNHIPNCIDD-AWEZNQCLSA-N 2 2 329.404 1.832 20 0 EDADLP COC(=O)c1cn([C@H]2CC[N@@H+](Cc3c(C)cc(C)[nH+]c3C)C2)nn1 ZINC000602810040 449825071 /nfs/dbraw/zinc/82/50/71/449825071.db2.gz KCYSRNHIPNCIDD-AWEZNQCLSA-N 2 2 329.404 1.832 20 0 EDADLP COc1cccc(Cl)c1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765120 449827215 /nfs/dbraw/zinc/82/72/15/449827215.db2.gz UOKUVLPJOOOIFJ-UHFFFAOYSA-N 2 2 341.883 1.891 20 0 EDADLP COc1cccc(Cl)c1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765120 449827220 /nfs/dbraw/zinc/82/72/20/449827220.db2.gz UOKUVLPJOOOIFJ-UHFFFAOYSA-N 2 2 341.883 1.891 20 0 EDADLP CN(C)C(=O)Nc1cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617766365 449828570 /nfs/dbraw/zinc/82/85/70/449828570.db2.gz HSHGHKAQJFIWJS-UHFFFAOYSA-N 2 2 349.479 1.393 20 0 EDADLP CN(C)C(=O)Nc1cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617766365 449828573 /nfs/dbraw/zinc/82/85/73/449828573.db2.gz HSHGHKAQJFIWJS-UHFFFAOYSA-N 2 2 349.479 1.393 20 0 EDADLP CCCC(=O)N1CCC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617766960 449828886 /nfs/dbraw/zinc/82/88/86/449828886.db2.gz ADXUGOCQWNHSRG-MRXNPFEDSA-N 2 2 340.512 1.025 20 0 EDADLP CCCC(=O)N1CCC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617766960 449828891 /nfs/dbraw/zinc/82/88/91/449828891.db2.gz ADXUGOCQWNHSRG-MRXNPFEDSA-N 2 2 340.512 1.025 20 0 EDADLP Cc1cc(-n2cncn2)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766244 449829154 /nfs/dbraw/zinc/82/91/54/449829154.db2.gz CQGLDNJGCZZUQN-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP Cc1cc(-n2cncn2)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766244 449829160 /nfs/dbraw/zinc/82/91/60/449829160.db2.gz CQGLDNJGCZZUQN-UHFFFAOYSA-N 2 2 344.463 1.189 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000617766265 449829391 /nfs/dbraw/zinc/82/93/91/449829391.db2.gz DGMCXDKPQUAKKC-SFHVURJKSA-N 3 2 347.507 1.046 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000617766265 449829395 /nfs/dbraw/zinc/82/93/95/449829395.db2.gz DGMCXDKPQUAKKC-SFHVURJKSA-N 3 2 347.507 1.046 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000617766265 449829398 /nfs/dbraw/zinc/82/93/98/449829398.db2.gz DGMCXDKPQUAKKC-SFHVURJKSA-N 3 2 347.507 1.046 20 0 EDADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000617766265 449829403 /nfs/dbraw/zinc/82/94/03/449829403.db2.gz DGMCXDKPQUAKKC-SFHVURJKSA-N 3 2 347.507 1.046 20 0 EDADLP Cc1cc(Br)oc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767134 449831675 /nfs/dbraw/zinc/83/16/75/449831675.db2.gz IGVRUSHDUPZCQM-UHFFFAOYSA-N 2 2 346.269 1.964 20 0 EDADLP Cc1cc(Br)oc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767134 449831680 /nfs/dbraw/zinc/83/16/80/449831680.db2.gz IGVRUSHDUPZCQM-UHFFFAOYSA-N 2 2 346.269 1.964 20 0 EDADLP Cc1cc2ccccc2n1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768576 449833055 /nfs/dbraw/zinc/83/30/55/449833055.db2.gz KFBHQMAYYJHKBZ-UHFFFAOYSA-N 2 2 330.476 1.949 20 0 EDADLP Cc1cc2ccccc2n1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768576 449833059 /nfs/dbraw/zinc/83/30/59/449833059.db2.gz KFBHQMAYYJHKBZ-UHFFFAOYSA-N 2 2 330.476 1.949 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-n2cccn2)cc1 ZINC000617768562 449833696 /nfs/dbraw/zinc/83/36/96/449833696.db2.gz JSMVPSFBAJWUTR-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-n2cccn2)cc1 ZINC000617768562 449833702 /nfs/dbraw/zinc/83/37/02/449833702.db2.gz JSMVPSFBAJWUTR-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP Cc1cc(C)nc(SCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617768529 449833949 /nfs/dbraw/zinc/83/39/49/449833949.db2.gz HUPSNIXYJHVUMO-UHFFFAOYSA-N 2 2 339.509 1.185 20 0 EDADLP Cc1cc(C)nc(SCC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617768529 449833951 /nfs/dbraw/zinc/83/39/51/449833951.db2.gz HUPSNIXYJHVUMO-UHFFFAOYSA-N 2 2 339.509 1.185 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc2c(c1)OCCO2 ZINC000617768598 449834107 /nfs/dbraw/zinc/83/41/07/449834107.db2.gz LLPBFJLXFWADJY-UHFFFAOYSA-N 2 2 335.448 1.000 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc2c(c1)OCCO2 ZINC000617768598 449834114 /nfs/dbraw/zinc/83/41/14/449834114.db2.gz LLPBFJLXFWADJY-UHFFFAOYSA-N 2 2 335.448 1.000 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCSc3cccc(Cl)c3)CCN2C1=O ZINC000594876195 449790569 /nfs/dbraw/zinc/79/05/69/449790569.db2.gz IJMXEWOSBBYWGM-OCCSQVGLSA-N 2 2 325.865 1.676 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCSc3cccc(Cl)c3)CCN2C1=O ZINC000594876195 449790572 /nfs/dbraw/zinc/79/05/72/449790572.db2.gz IJMXEWOSBBYWGM-OCCSQVGLSA-N 2 2 325.865 1.676 20 0 EDADLP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)[N@@H+]1CCO[C@H](CC)C1 ZINC000614963559 449896014 /nfs/dbraw/zinc/89/60/14/449896014.db2.gz OQOLOHZQAREPJX-IAGOWNOFSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)[N@H+]1CCO[C@H](CC)C1 ZINC000614963559 449896019 /nfs/dbraw/zinc/89/60/19/449896019.db2.gz OQOLOHZQAREPJX-IAGOWNOFSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc2c(c1)CCCO2 ZINC000612939220 449947742 /nfs/dbraw/zinc/94/77/42/449947742.db2.gz RJOXMSGWQYYABW-CJNGLKHVSA-N 2 2 332.448 1.357 20 0 EDADLP C[C@]1(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000612861703 449914077 /nfs/dbraw/zinc/91/40/77/449914077.db2.gz BOSSGRRKNHUGOB-SFHVURJKSA-N 2 2 332.448 1.070 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C[NH+]1CCN(C)CC1 ZINC000608709216 449916939 /nfs/dbraw/zinc/91/69/39/449916939.db2.gz URGHXRCUSCKGGW-SJORKVTESA-N 2 2 348.495 1.113 20 0 EDADLP CC1(C)C[NH+](CC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000617975421 449957428 /nfs/dbraw/zinc/95/74/28/449957428.db2.gz SCAKGNSUKDZGRW-UHFFFAOYSA-N 2 2 330.476 1.752 20 0 EDADLP CC(C)OC(=O)c1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000602989324 449986302 /nfs/dbraw/zinc/98/63/02/449986302.db2.gz LNXMSHBCDWFJLU-UHFFFAOYSA-N 2 2 347.459 1.458 20 0 EDADLP CC(C)OC(=O)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000602989324 449986303 /nfs/dbraw/zinc/98/63/03/449986303.db2.gz LNXMSHBCDWFJLU-UHFFFAOYSA-N 2 2 347.459 1.458 20 0 EDADLP CCc1ncc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000601477549 450000184 /nfs/dbraw/zinc/00/01/84/450000184.db2.gz IKOGCBSZEWBILO-AWEZNQCLSA-N 2 2 336.505 1.946 20 0 EDADLP CCc1ncc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000601477549 450000190 /nfs/dbraw/zinc/00/01/90/450000190.db2.gz IKOGCBSZEWBILO-AWEZNQCLSA-N 2 2 336.505 1.946 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)o1 ZINC000615272847 450037808 /nfs/dbraw/zinc/03/78/08/450037808.db2.gz GAUAZSDXGINAGP-UHFFFAOYSA-N 2 2 348.491 1.441 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583093 450083757 /nfs/dbraw/zinc/08/37/57/450083757.db2.gz QHJATIXUCWKODZ-PMPSAXMXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583093 450083762 /nfs/dbraw/zinc/08/37/62/450083762.db2.gz QHJATIXUCWKODZ-PMPSAXMXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583093 450083767 /nfs/dbraw/zinc/08/37/67/450083767.db2.gz QHJATIXUCWKODZ-PMPSAXMXSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583093 450083772 /nfs/dbraw/zinc/08/37/72/450083772.db2.gz QHJATIXUCWKODZ-PMPSAXMXSA-N 2 2 344.496 1.225 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000601796468 450244643 /nfs/dbraw/zinc/24/46/43/450244643.db2.gz QFDCOBGMXFANBM-HOTGVXAUSA-N 2 2 331.464 1.988 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000601796468 450244650 /nfs/dbraw/zinc/24/46/50/450244650.db2.gz QFDCOBGMXFANBM-HOTGVXAUSA-N 2 2 331.464 1.988 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613666041 450263920 /nfs/dbraw/zinc/26/39/20/450263920.db2.gz NZVKKKLYUOZHFS-BZUAXINKSA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613666041 450263922 /nfs/dbraw/zinc/26/39/22/450263922.db2.gz NZVKKKLYUOZHFS-BZUAXINKSA-N 2 2 349.479 1.082 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000623248870 450463908 /nfs/dbraw/zinc/46/39/08/450463908.db2.gz XCGQANQOAOYKKU-GOSISDBHSA-N 2 2 342.443 1.853 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C[NH+](C)C)nc1)C(C)(C)CO ZINC000616862457 450501489 /nfs/dbraw/zinc/50/14/89/450501489.db2.gz AECIZHZJVSWHGS-HNNXBMFYSA-N 2 2 345.447 1.366 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000625856044 450522194 /nfs/dbraw/zinc/52/21/94/450522194.db2.gz AVJXOPKERUIROS-CQSZACIVSA-N 2 2 328.428 1.598 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000625856044 450522195 /nfs/dbraw/zinc/52/21/95/450522195.db2.gz AVJXOPKERUIROS-CQSZACIVSA-N 2 2 328.428 1.598 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC3CC3)C1)CC2 ZINC000625962594 450544792 /nfs/dbraw/zinc/54/47/92/450544792.db2.gz HIHGKDMDJXFKBB-IRXDYDNUSA-N 2 2 330.476 1.944 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC3CC3)C1)CC2 ZINC000625962594 450544795 /nfs/dbraw/zinc/54/47/95/450544795.db2.gz HIHGKDMDJXFKBB-IRXDYDNUSA-N 2 2 330.476 1.944 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000625976194 450547105 /nfs/dbraw/zinc/54/71/05/450547105.db2.gz TVCLBTGCQQESBM-OAHLLOKOSA-N 2 2 332.448 1.077 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](C3CCOCC3)CC1)CC2 ZINC000625976193 450547243 /nfs/dbraw/zinc/54/72/43/450547243.db2.gz TVCLBTGCQQESBM-HNNXBMFYSA-N 2 2 332.448 1.077 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)n1C ZINC000623637618 450557081 /nfs/dbraw/zinc/55/70/81/450557081.db2.gz CPHQBHDKHNZPTD-UHFFFAOYSA-N 2 2 346.422 1.533 20 0 EDADLP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000620907210 450559347 /nfs/dbraw/zinc/55/93/47/450559347.db2.gz IBHZRXDGGBZJSO-HUUCEWRRSA-N 2 2 346.475 1.616 20 0 EDADLP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000620907210 450559350 /nfs/dbraw/zinc/55/93/50/450559350.db2.gz IBHZRXDGGBZJSO-HUUCEWRRSA-N 2 2 346.475 1.616 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000621109409 450582529 /nfs/dbraw/zinc/58/25/29/450582529.db2.gz VNULTJSTUNTNFN-MJGOQNOKSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000621109409 450582532 /nfs/dbraw/zinc/58/25/32/450582532.db2.gz VNULTJSTUNTNFN-MJGOQNOKSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000621109409 450582535 /nfs/dbraw/zinc/58/25/35/450582535.db2.gz VNULTJSTUNTNFN-MJGOQNOKSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000621109409 450582538 /nfs/dbraw/zinc/58/25/38/450582538.db2.gz VNULTJSTUNTNFN-MJGOQNOKSA-N 2 2 349.519 1.868 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3C[C@H]3C(F)(F)F)C2)CC1 ZINC000633041480 450640405 /nfs/dbraw/zinc/64/04/05/450640405.db2.gz DULLNYDQQJWWSB-RAIGVLPGSA-N 2 2 334.386 1.405 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3C[C@H]3C(F)(F)F)C2)CC1 ZINC000633041480 450640408 /nfs/dbraw/zinc/64/04/08/450640408.db2.gz DULLNYDQQJWWSB-RAIGVLPGSA-N 2 2 334.386 1.405 20 0 EDADLP Nc1nc(NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nc(N)[nH+]1 ZINC000623959956 450651534 /nfs/dbraw/zinc/65/15/34/450651534.db2.gz DHRVQQUZGUBMLQ-ZDUSSCGKSA-N 2 2 347.854 1.239 20 0 EDADLP Nc1nc(NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nc(N)[nH+]1 ZINC000623959956 450651539 /nfs/dbraw/zinc/65/15/39/450651539.db2.gz DHRVQQUZGUBMLQ-ZDUSSCGKSA-N 2 2 347.854 1.239 20 0 EDADLP CCCCO[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000624085876 450701022 /nfs/dbraw/zinc/70/10/22/450701022.db2.gz HAVNYCHITQSJPT-JYJNAYRXSA-N 2 2 325.497 1.900 20 0 EDADLP CCCCO[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000624085876 450701027 /nfs/dbraw/zinc/70/10/27/450701027.db2.gz HAVNYCHITQSJPT-JYJNAYRXSA-N 2 2 325.497 1.900 20 0 EDADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629525041 450725664 /nfs/dbraw/zinc/72/56/64/450725664.db2.gz QLSVONJFONXABP-CQSZACIVSA-N 2 2 326.462 1.255 20 0 EDADLP O[C@H](CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)COCc1ccccc1 ZINC000629555509 450732743 /nfs/dbraw/zinc/73/27/43/450732743.db2.gz WBUACZQCUKQKSB-CEXWTWQISA-N 2 2 334.460 1.311 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000629563826 450737203 /nfs/dbraw/zinc/73/72/03/450737203.db2.gz GCXMIOSUEZOEME-XQHKEYJVSA-N 2 2 337.386 1.081 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000629563826 450737210 /nfs/dbraw/zinc/73/72/10/450737210.db2.gz GCXMIOSUEZOEME-XQHKEYJVSA-N 2 2 337.386 1.081 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000629571333 450743045 /nfs/dbraw/zinc/74/30/45/450743045.db2.gz SDKWQEJPEJJPAM-UHFFFAOYSA-N 2 2 348.472 1.577 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000629571333 450743050 /nfs/dbraw/zinc/74/30/50/450743050.db2.gz SDKWQEJPEJJPAM-UHFFFAOYSA-N 2 2 348.472 1.577 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000621641753 450806746 /nfs/dbraw/zinc/80/67/46/450806746.db2.gz VLBSTRWJQWVNMB-MJGOQNOKSA-N 2 2 345.487 1.956 20 0 EDADLP CCc1c[nH]c(CC(=O)NCC2([NH+]3CCSCC3)CCCC2)[nH+]1 ZINC000635279258 450809421 /nfs/dbraw/zinc/80/94/21/450809421.db2.gz NGAYFYMQRSTPFL-UHFFFAOYSA-N 2 2 336.505 1.992 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000631844688 450815094 /nfs/dbraw/zinc/81/50/94/450815094.db2.gz ZLEWPYZIGTYRFQ-VXGBXAGGSA-N 2 2 337.420 1.178 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000631844688 450815099 /nfs/dbraw/zinc/81/50/99/450815099.db2.gz ZLEWPYZIGTYRFQ-VXGBXAGGSA-N 2 2 337.420 1.178 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)c[nH+]2)C[C@@H](C)O1 ZINC000635314577 450837101 /nfs/dbraw/zinc/83/71/01/450837101.db2.gz GPUVUUUFAJVKGJ-OAGGEKHMSA-N 2 2 346.475 1.653 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)c[nH+]2)C[C@@H](C)O1 ZINC000635314577 450837107 /nfs/dbraw/zinc/83/71/07/450837107.db2.gz GPUVUUUFAJVKGJ-OAGGEKHMSA-N 2 2 346.475 1.653 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCn4cc(C)[nH+]c4C3)[C@H]2C1 ZINC000627531794 450797396 /nfs/dbraw/zinc/79/73/96/450797396.db2.gz IYMPPEZOQMKKAX-OWCLPIDISA-N 2 2 332.448 1.076 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCn4cc(C)[nH+]c4C3)[C@H]2C1 ZINC000627531794 450797401 /nfs/dbraw/zinc/79/74/01/450797401.db2.gz IYMPPEZOQMKKAX-OWCLPIDISA-N 2 2 332.448 1.076 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCOc1ccc(F)cc1 ZINC000631886272 450847659 /nfs/dbraw/zinc/84/76/59/450847659.db2.gz GQSUNDYUGFKQDQ-PBHICJAKSA-N 2 2 335.423 1.395 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCOc1ccc(F)cc1 ZINC000631886272 450847660 /nfs/dbraw/zinc/84/76/60/450847660.db2.gz GQSUNDYUGFKQDQ-PBHICJAKSA-N 2 2 335.423 1.395 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)c2ccccc21 ZINC000621763267 450860036 /nfs/dbraw/zinc/86/00/36/450860036.db2.gz UUSKQOSDYKIVKV-AEFFLSMTSA-N 2 2 331.460 1.921 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)c2ccccc21 ZINC000621763267 450860041 /nfs/dbraw/zinc/86/00/41/450860041.db2.gz UUSKQOSDYKIVKV-AEFFLSMTSA-N 2 2 331.460 1.921 20 0 EDADLP Cc1ccccc1COCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621866114 450906974 /nfs/dbraw/zinc/90/69/74/450906974.db2.gz JFMHPXXZFMUTHS-GOSISDBHSA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccccc1COCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621866114 450906977 /nfs/dbraw/zinc/90/69/77/450906977.db2.gz JFMHPXXZFMUTHS-GOSISDBHSA-N 2 2 345.487 1.796 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627739229 450910837 /nfs/dbraw/zinc/91/08/37/450910837.db2.gz LUWYYSIVXKJPLG-OAHLLOKOSA-N 2 2 332.448 1.159 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000627739229 450910841 /nfs/dbraw/zinc/91/08/41/450910841.db2.gz LUWYYSIVXKJPLG-OAHLLOKOSA-N 2 2 332.448 1.159 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000627754390 450921916 /nfs/dbraw/zinc/92/19/16/450921916.db2.gz UNFOXEVXSXUZHM-AWEZNQCLSA-N 2 2 346.431 1.552 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000627754390 450921919 /nfs/dbraw/zinc/92/19/19/450921919.db2.gz UNFOXEVXSXUZHM-AWEZNQCLSA-N 2 2 346.431 1.552 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)n1 ZINC000635455124 450954674 /nfs/dbraw/zinc/95/46/74/450954674.db2.gz UJRLJTCXFUGGKW-NSHDSACASA-N 2 2 344.341 1.773 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626851281 450958242 /nfs/dbraw/zinc/95/82/42/450958242.db2.gz VWDIUOJAJLRIAB-HNNXBMFYSA-N 2 2 339.399 1.212 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000635484212 450982530 /nfs/dbraw/zinc/98/25/30/450982530.db2.gz FDRLYLNSPLEKSM-HZPDHXFCSA-N 2 2 328.416 1.770 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000635484212 450982534 /nfs/dbraw/zinc/98/25/34/450982534.db2.gz FDRLYLNSPLEKSM-HZPDHXFCSA-N 2 2 328.416 1.770 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000635510482 451007211 /nfs/dbraw/zinc/00/72/11/451007211.db2.gz XOPLQUXELQJZMG-OAHLLOKOSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000635510482 451007214 /nfs/dbraw/zinc/00/72/14/451007214.db2.gz XOPLQUXELQJZMG-OAHLLOKOSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)cs1 ZINC000635510482 451007217 /nfs/dbraw/zinc/00/72/17/451007217.db2.gz XOPLQUXELQJZMG-OAHLLOKOSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)cs1 ZINC000635510482 451007221 /nfs/dbraw/zinc/00/72/21/451007221.db2.gz XOPLQUXELQJZMG-OAHLLOKOSA-N 2 2 336.505 1.828 20 0 EDADLP O=C(N1CCC(CCC[NH+]2CCCC2)CC1)C1([NH+]2CCOCC2)CC1 ZINC000632061231 451009157 /nfs/dbraw/zinc/00/91/57/451009157.db2.gz KVZHNWZJVYXTKJ-UHFFFAOYSA-N 2 2 349.519 1.966 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)C[NH2+]1 ZINC000626927197 451010611 /nfs/dbraw/zinc/01/06/11/451010611.db2.gz KMFBXGDHDUDQGY-BMFZPTHFSA-N 2 2 327.432 1.949 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)C2 ZINC000626969259 451041615 /nfs/dbraw/zinc/04/16/15/451041615.db2.gz SVGWOXWFPVPIJF-OKILXGFUSA-N 2 2 345.369 1.586 20 0 EDADLP CC(C)C[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)n1cc[nH+]c1 ZINC000635558112 451055917 /nfs/dbraw/zinc/05/59/17/451055917.db2.gz HYTOORYTKMGKKJ-QGZVFWFLSA-N 2 2 335.496 1.614 20 0 EDADLP CC(C)C[C@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)n1cc[nH+]c1 ZINC000635558112 451055923 /nfs/dbraw/zinc/05/59/23/451055923.db2.gz HYTOORYTKMGKKJ-QGZVFWFLSA-N 2 2 335.496 1.614 20 0 EDADLP CC(C)C[C@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)n1cc[nH+]c1 ZINC000635558112 451055930 /nfs/dbraw/zinc/05/59/30/451055930.db2.gz HYTOORYTKMGKKJ-QGZVFWFLSA-N 2 2 335.496 1.614 20 0 EDADLP CC(C)C[C@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)n1cc[nH+]c1 ZINC000635558112 451055935 /nfs/dbraw/zinc/05/59/35/451055935.db2.gz HYTOORYTKMGKKJ-QGZVFWFLSA-N 2 2 335.496 1.614 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000622132908 451058612 /nfs/dbraw/zinc/05/86/12/451058612.db2.gz JVXJZKVNNUIRDV-MRXNPFEDSA-N 2 2 347.507 1.286 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000622132908 451058616 /nfs/dbraw/zinc/05/86/16/451058616.db2.gz JVXJZKVNNUIRDV-MRXNPFEDSA-N 2 2 347.507 1.286 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000635564508 451063786 /nfs/dbraw/zinc/06/37/86/451063786.db2.gz HMHFEKYUHYAHGZ-WMZOPIPTSA-N 2 2 331.460 1.680 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000635564508 451063789 /nfs/dbraw/zinc/06/37/89/451063789.db2.gz HMHFEKYUHYAHGZ-WMZOPIPTSA-N 2 2 331.460 1.680 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000635607183 451099520 /nfs/dbraw/zinc/09/95/20/451099520.db2.gz LXJRXJCOGDLXDR-YXJHDRRASA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000635607183 451099523 /nfs/dbraw/zinc/09/95/23/451099523.db2.gz LXJRXJCOGDLXDR-YXJHDRRASA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000635607183 451099528 /nfs/dbraw/zinc/09/95/28/451099528.db2.gz LXJRXJCOGDLXDR-YXJHDRRASA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000635607183 451099533 /nfs/dbraw/zinc/09/95/33/451099533.db2.gz LXJRXJCOGDLXDR-YXJHDRRASA-N 2 2 331.460 1.868 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000627093426 451121528 /nfs/dbraw/zinc/12/15/28/451121528.db2.gz OAMPZOZYIRACSK-RDJZCZTQSA-N 2 2 349.479 1.099 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000627093426 451121533 /nfs/dbraw/zinc/12/15/33/451121533.db2.gz OAMPZOZYIRACSK-RDJZCZTQSA-N 2 2 349.479 1.099 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc(C)c[nH]3)CC2)CC1 ZINC000628163997 451164315 /nfs/dbraw/zinc/16/43/15/451164315.db2.gz AGXWCTMKSKZTHF-UHFFFAOYSA-N 2 2 333.480 1.484 20 0 EDADLP CO[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C1CCCC1 ZINC000634194150 451231457 /nfs/dbraw/zinc/23/14/57/451231457.db2.gz LMKNEMADUVAISO-KRWDZBQOSA-N 2 2 332.448 1.977 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC[N@@H+]1C ZINC000638118062 451286092 /nfs/dbraw/zinc/28/60/92/451286092.db2.gz VKZGIADEOKAAHZ-YPMHNXCESA-N 2 2 329.441 1.388 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC[N@H+]1C ZINC000638118062 451286098 /nfs/dbraw/zinc/28/60/98/451286098.db2.gz VKZGIADEOKAAHZ-YPMHNXCESA-N 2 2 329.441 1.388 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC[NH+]1C ZINC000638118062 451286101 /nfs/dbraw/zinc/28/61/01/451286101.db2.gz VKZGIADEOKAAHZ-YPMHNXCESA-N 2 2 329.441 1.388 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC[NH+]1C ZINC000638118062 451286105 /nfs/dbraw/zinc/28/61/05/451286105.db2.gz VKZGIADEOKAAHZ-YPMHNXCESA-N 2 2 329.441 1.388 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)CC2 ZINC000625279554 451257988 /nfs/dbraw/zinc/25/79/88/451257988.db2.gz HXZFVTMBRQLMFF-JKSUJKDBSA-N 2 2 334.464 1.323 20 0 EDADLP CC(C)C[N@H+](CCN(C)C)CCn1cc(C[NH+]2CCCCC2)nn1 ZINC000630609838 451273690 /nfs/dbraw/zinc/27/36/90/451273690.db2.gz DZDJJQNXGPOACO-UHFFFAOYSA-N 2 2 336.528 1.784 20 0 EDADLP CC(C)C[N@@H+](CCN(C)C)CCn1cc(C[NH+]2CCCCC2)nn1 ZINC000630609838 451273700 /nfs/dbraw/zinc/27/37/00/451273700.db2.gz DZDJJQNXGPOACO-UHFFFAOYSA-N 2 2 336.528 1.784 20 0 EDADLP CC(C)CN(CCn1cc(C[NH+]2CCCCC2)nn1)CC[NH+](C)C ZINC000630609838 451273706 /nfs/dbraw/zinc/27/37/06/451273706.db2.gz DZDJJQNXGPOACO-UHFFFAOYSA-N 2 2 336.528 1.784 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC3(C[NH+](C)C3)C2)cc1 ZINC000635858499 451305084 /nfs/dbraw/zinc/30/50/84/451305084.db2.gz IXVLTIMGMSBCJD-QGZVFWFLSA-N 2 2 329.444 1.434 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC3(C[NH+](C)C3)C2)cc1 ZINC000635858499 451305091 /nfs/dbraw/zinc/30/50/91/451305091.db2.gz IXVLTIMGMSBCJD-QGZVFWFLSA-N 2 2 329.444 1.434 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629381 451366546 /nfs/dbraw/zinc/36/65/46/451366546.db2.gz MPYFTNPYMGWEFI-OIISXLGYSA-N 2 2 339.443 1.943 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629381 451366550 /nfs/dbraw/zinc/36/65/50/451366550.db2.gz MPYFTNPYMGWEFI-OIISXLGYSA-N 2 2 339.443 1.943 20 0 EDADLP C[NH+](C)[C@H](C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)c1ccccc1 ZINC000640516795 451367267 /nfs/dbraw/zinc/36/72/67/451367267.db2.gz MCBZYLFSALMAAM-KURKYZTESA-N 2 2 345.487 1.905 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)n1cc[nH+]c1 ZINC000635960708 451399258 /nfs/dbraw/zinc/39/92/58/451399258.db2.gz WIBSRSWRVPVKMD-BBWFWOEESA-N 2 2 334.464 1.792 20 0 EDADLP CC(C)C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C)n1cc[nH+]c1 ZINC000635960708 451399262 /nfs/dbraw/zinc/39/92/62/451399262.db2.gz WIBSRSWRVPVKMD-BBWFWOEESA-N 2 2 334.464 1.792 20 0 EDADLP Cc1nc(CC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)no1 ZINC000634644451 451436776 /nfs/dbraw/zinc/43/67/76/451436776.db2.gz VLSAYXRRHSHFPQ-GOSISDBHSA-N 2 2 330.432 1.489 20 0 EDADLP Cc1nc(CC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)no1 ZINC000634644451 451436783 /nfs/dbraw/zinc/43/67/83/451436783.db2.gz VLSAYXRRHSHFPQ-GOSISDBHSA-N 2 2 330.432 1.489 20 0 EDADLP Cc1nc(CC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)no1 ZINC000634644451 451436789 /nfs/dbraw/zinc/43/67/89/451436789.db2.gz VLSAYXRRHSHFPQ-GOSISDBHSA-N 2 2 330.432 1.489 20 0 EDADLP Cc1nc(CC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000634644451 451436795 /nfs/dbraw/zinc/43/67/95/451436795.db2.gz VLSAYXRRHSHFPQ-GOSISDBHSA-N 2 2 330.432 1.489 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000640608416 451455162 /nfs/dbraw/zinc/45/51/62/451455162.db2.gz DNFMSGPUJCQOIW-OAHLLOKOSA-N 2 2 335.452 1.626 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000640608416 451455164 /nfs/dbraw/zinc/45/51/64/451455164.db2.gz DNFMSGPUJCQOIW-OAHLLOKOSA-N 2 2 335.452 1.626 20 0 EDADLP CCn1ncnc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000638355403 451456388 /nfs/dbraw/zinc/45/63/88/451456388.db2.gz LBXFWRWOZWDTOL-GOSISDBHSA-N 2 2 342.491 1.766 20 0 EDADLP CCn1ncnc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000638355403 451456395 /nfs/dbraw/zinc/45/63/95/451456395.db2.gz LBXFWRWOZWDTOL-GOSISDBHSA-N 2 2 342.491 1.766 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000636036207 451458190 /nfs/dbraw/zinc/45/81/90/451458190.db2.gz YXFDPIPOMOVKNS-UPJWGTAASA-N 2 2 348.369 1.290 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000636036207 451458191 /nfs/dbraw/zinc/45/81/91/451458191.db2.gz YXFDPIPOMOVKNS-UPJWGTAASA-N 2 2 348.369 1.290 20 0 EDADLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)CC2(O)CCOCC2)[NH+](C)C)cc1 ZINC000634701686 451475430 /nfs/dbraw/zinc/47/54/30/451475430.db2.gz UBHZAOFWJMJSMQ-QZTJIDSGSA-N 2 2 336.476 1.480 20 0 EDADLP CC(C)N1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000634703223 451479123 /nfs/dbraw/zinc/47/91/23/451479123.db2.gz RTTSWVKIUANSBZ-HKUYNNGSSA-N 2 2 331.460 1.222 20 0 EDADLP CC(C)N1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000634703223 451479128 /nfs/dbraw/zinc/47/91/28/451479128.db2.gz RTTSWVKIUANSBZ-HKUYNNGSSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)CC1(O)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000634704275 451480626 /nfs/dbraw/zinc/48/06/26/451480626.db2.gz IZSOJMJMQAXTEC-SJLPKXTDSA-N 2 2 336.476 1.389 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)CC1(O)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000634704275 451480630 /nfs/dbraw/zinc/48/06/30/451480630.db2.gz IZSOJMJMQAXTEC-SJLPKXTDSA-N 2 2 336.476 1.389 20 0 EDADLP CCc1c[nH]c(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[nH+]1 ZINC000638411040 451496855 /nfs/dbraw/zinc/49/68/55/451496855.db2.gz FEQPRVCFOOHNIK-HZPDHXFCSA-N 2 2 330.407 1.916 20 0 EDADLP OCCCN1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634720267 451500262 /nfs/dbraw/zinc/50/02/62/451500262.db2.gz HPQJDAYCJZWOSG-VQTJNVASSA-N 2 2 347.503 1.060 20 0 EDADLP OCCCN1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634720267 451500264 /nfs/dbraw/zinc/50/02/64/451500264.db2.gz HPQJDAYCJZWOSG-VQTJNVASSA-N 2 2 347.503 1.060 20 0 EDADLP OC[C@@H](CC(F)(F)F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720537 451501587 /nfs/dbraw/zinc/50/15/87/451501587.db2.gz LGABKDYQARIMAT-HUUCEWRRSA-N 2 2 332.366 1.526 20 0 EDADLP OC[C@@H](CC(F)(F)F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720537 451501589 /nfs/dbraw/zinc/50/15/89/451501589.db2.gz LGABKDYQARIMAT-HUUCEWRRSA-N 2 2 332.366 1.526 20 0 EDADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000634721167 451501983 /nfs/dbraw/zinc/50/19/83/451501983.db2.gz USBAAVUWIMEHDZ-ARFHVFGLSA-N 2 2 346.393 1.915 20 0 EDADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000634721167 451501987 /nfs/dbraw/zinc/50/19/87/451501987.db2.gz USBAAVUWIMEHDZ-ARFHVFGLSA-N 2 2 346.393 1.915 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CC[NH+](CCCF)CC1 ZINC000636102523 451516820 /nfs/dbraw/zinc/51/68/20/451516820.db2.gz POGMTKGJLYGEGB-UHFFFAOYSA-N 2 2 332.379 1.695 20 0 EDADLP CO[C@](C)(C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000638463470 451529680 /nfs/dbraw/zinc/52/96/80/451529680.db2.gz VOAPIQDTDPDVAF-LJQANCHMSA-N 3 2 332.492 1.998 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638489860 451542953 /nfs/dbraw/zinc/54/29/53/451542953.db2.gz PDQYAYBBOAHPMC-ROUUACIJSA-N 2 2 331.460 1.344 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638489860 451542959 /nfs/dbraw/zinc/54/29/59/451542959.db2.gz PDQYAYBBOAHPMC-ROUUACIJSA-N 2 2 331.460 1.344 20 0 EDADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631033925 451543288 /nfs/dbraw/zinc/54/32/88/451543288.db2.gz CXZUBTTYNIMKIF-IBGZPJMESA-N 3 2 347.503 1.972 20 0 EDADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631033925 451543292 /nfs/dbraw/zinc/54/32/92/451543292.db2.gz CXZUBTTYNIMKIF-IBGZPJMESA-N 3 2 347.503 1.972 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000631052510 451556217 /nfs/dbraw/zinc/55/62/17/451556217.db2.gz UZUSDNOUGORZNS-GOSISDBHSA-N 2 2 334.460 1.914 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000636858275 451559527 /nfs/dbraw/zinc/55/95/27/451559527.db2.gz NROMYDQDDNZQOZ-LJQANCHMSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)nc[nH+]2)C1 ZINC000634810978 451566600 /nfs/dbraw/zinc/56/66/00/451566600.db2.gz PJDHUSNKGGVSRZ-LJIZCISZSA-N 2 2 333.480 1.493 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)[nH+]cn2)C1 ZINC000634810978 451566603 /nfs/dbraw/zinc/56/66/03/451566603.db2.gz PJDHUSNKGGVSRZ-LJIZCISZSA-N 2 2 333.480 1.493 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[N@@H+]1C ZINC000631079356 451572665 /nfs/dbraw/zinc/57/26/65/451572665.db2.gz GGSSNTIRSPCUKF-MJGOQNOKSA-N 3 2 347.503 1.970 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[N@H+]1C ZINC000631079356 451572672 /nfs/dbraw/zinc/57/26/72/451572672.db2.gz GGSSNTIRSPCUKF-MJGOQNOKSA-N 3 2 347.503 1.970 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000638602072 451600623 /nfs/dbraw/zinc/60/06/23/451600623.db2.gz KLQXRMFPLSYNPY-QGZVFWFLSA-N 2 2 347.459 1.408 20 0 EDADLP CCNC(=O)C(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631156620 451615293 /nfs/dbraw/zinc/61/52/93/451615293.db2.gz OYQOMWWFQHOOMH-UHFFFAOYSA-N 2 2 349.475 1.402 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc([C@H]([NH3+])c3ccccc3)nn2)CC1 ZINC000640831556 451616888 /nfs/dbraw/zinc/61/68/88/451616888.db2.gz UUVDXHJXLSJRKI-RHSMWYFYSA-N 2 2 342.447 1.051 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccncc2Br)CC1 ZINC000631167479 451619888 /nfs/dbraw/zinc/61/98/88/451619888.db2.gz XPUSQGPZKZIXLS-UHFFFAOYSA-N 2 2 328.254 1.781 20 0 EDADLP Cc1nc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nc(N)[nH+]1 ZINC000631253842 451664243 /nfs/dbraw/zinc/66/42/43/451664243.db2.gz KRUHUDIQSFYFSU-UHFFFAOYSA-N 2 2 330.358 1.979 20 0 EDADLP Cc1nc(N)nc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[nH+]1 ZINC000631253842 451664247 /nfs/dbraw/zinc/66/42/47/451664247.db2.gz KRUHUDIQSFYFSU-UHFFFAOYSA-N 2 2 330.358 1.979 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000632895864 451637542 /nfs/dbraw/zinc/63/75/42/451637542.db2.gz XKIYUUYTGGSDKM-KGLIPLIRSA-N 2 2 345.447 1.028 20 0 EDADLP Cc1ccc(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)c(N2CCCC2)[nH+]1 ZINC000637034077 451690330 /nfs/dbraw/zinc/69/03/30/451690330.db2.gz DBTGOGGSDAKZPO-HNNXBMFYSA-N 2 2 340.431 1.611 20 0 EDADLP [NH3+][C@H](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)Cc1ccccc1 ZINC000638883204 451718551 /nfs/dbraw/zinc/71/85/51/451718551.db2.gz XTIWBHUUIVQVCE-MRXNPFEDSA-N 2 2 326.444 1.838 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000636450385 451714166 /nfs/dbraw/zinc/71/41/66/451714166.db2.gz MQKPBPJMXALBEG-QGZVFWFLSA-N 2 2 339.443 1.772 20 0 EDADLP COc1cccc([C@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[NH+](C)C)c1 ZINC000636473118 451725475 /nfs/dbraw/zinc/72/54/75/451725475.db2.gz RPFDLDFGGCMBDT-YOEHRIQHSA-N 2 2 343.431 1.419 20 0 EDADLP [NH3+][C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1c(F)cccc1F ZINC000638985989 451746312 /nfs/dbraw/zinc/74/63/12/451746312.db2.gz QVFGXSOOYCFYIO-INIZCTEOSA-N 2 2 347.369 1.408 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000638989412 451748584 /nfs/dbraw/zinc/74/85/84/451748584.db2.gz RCRPMFDIBOHJJZ-YJBOKZPZSA-N 2 2 346.500 1.641 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638988485 451748751 /nfs/dbraw/zinc/74/87/51/451748751.db2.gz FNICQKPNPHLQQV-LSDHHAIUSA-N 2 2 334.489 1.769 20 0 EDADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)n2C ZINC000639057331 451759073 /nfs/dbraw/zinc/75/90/73/451759073.db2.gz MOEKWGUYWGFOFQ-UHFFFAOYSA-N 2 2 346.475 1.907 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC([NH2+]CC2CC2)CC1 ZINC000646788048 451840514 /nfs/dbraw/zinc/84/05/14/451840514.db2.gz YCRGHIRVZVTNQS-UHFFFAOYSA-N 2 2 325.416 1.872 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](c2ccccc2)C1 ZINC000649101345 451844658 /nfs/dbraw/zinc/84/46/58/451844658.db2.gz VWGNWSQTYKBJAR-KSZLIROESA-N 2 2 338.455 1.907 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](c2ccccc2)C1 ZINC000649101345 451844661 /nfs/dbraw/zinc/84/46/61/451844661.db2.gz VWGNWSQTYKBJAR-KSZLIROESA-N 2 2 338.455 1.907 20 0 EDADLP CC(C)(CN1CC[NH+](Cc2ccc(O)cc2)CC1)[NH+]1CCOCC1 ZINC000639392698 451863631 /nfs/dbraw/zinc/86/36/31/451863631.db2.gz KTUBZGUVRWTNOU-UHFFFAOYSA-N 2 2 333.476 1.621 20 0 EDADLP CCC(CC)[C@H](CNC[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000644563367 451865165 /nfs/dbraw/zinc/86/51/65/451865165.db2.gz INPXAXCKVXDKOS-MSOLQXFVSA-N 2 2 327.513 1.170 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@H](C[NH3+])C1 ZINC000646835589 451874328 /nfs/dbraw/zinc/87/43/28/451874328.db2.gz MHZZOBZMVWXOOL-OAHLLOKOSA-N 2 2 328.416 1.376 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)[C@H](C[NH3+])C1 ZINC000646835589 451874334 /nfs/dbraw/zinc/87/43/34/451874334.db2.gz MHZZOBZMVWXOOL-OAHLLOKOSA-N 2 2 328.416 1.376 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000641354032 451881761 /nfs/dbraw/zinc/88/17/61/451881761.db2.gz CDMMWRCZYGHEBY-INIZCTEOSA-N 2 2 347.484 1.309 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C1 ZINC000641354032 451881766 /nfs/dbraw/zinc/88/17/66/451881766.db2.gz CDMMWRCZYGHEBY-INIZCTEOSA-N 2 2 347.484 1.309 20 0 EDADLP C[N@H+](CCNS(=O)(=O)CCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000641367480 451901441 /nfs/dbraw/zinc/90/14/41/451901441.db2.gz KPJFXNHSGDMLAR-UHFFFAOYSA-N 2 2 340.424 1.074 20 0 EDADLP C[N@@H+](CCNS(=O)(=O)CCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000641367480 451901447 /nfs/dbraw/zinc/90/14/47/451901447.db2.gz KPJFXNHSGDMLAR-UHFFFAOYSA-N 2 2 340.424 1.074 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H]3CCCC(=O)N3)c2cc1C ZINC000644634819 451906092 /nfs/dbraw/zinc/90/60/92/451906092.db2.gz AZMLUXMGVOJZOI-CABCVRRESA-N 2 2 330.432 1.272 20 0 EDADLP COCCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH+](C)CC1 ZINC000644636068 451909555 /nfs/dbraw/zinc/90/95/55/451909555.db2.gz PWTZOUYMNXMNFF-OAHLLOKOSA-N 2 2 334.464 1.405 20 0 EDADLP CO[C@@H](C)c1noc(CN2CCC[N@@H+](CCc3c[nH+]cn3C)CC2)n1 ZINC000639512881 451915876 /nfs/dbraw/zinc/91/58/76/451915876.db2.gz DEOMSRDRZRSQIA-AWEZNQCLSA-N 2 2 348.451 1.261 20 0 EDADLP COc1ncc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000644658016 451922640 /nfs/dbraw/zinc/92/26/40/451922640.db2.gz KVOMGJHGWPMVJK-SCRDCRAPSA-N 2 2 343.855 1.303 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000653416650 451929033 /nfs/dbraw/zinc/92/90/33/451929033.db2.gz TXQKQEPYVMMJRI-UHFFFAOYSA-N 2 2 342.447 1.582 20 0 EDADLP COCCC1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[NH2+]CC1 ZINC000649281097 451952403 /nfs/dbraw/zinc/95/24/03/451952403.db2.gz IDKOZYZTFQPKNT-UHFFFAOYSA-N 2 2 344.459 1.867 20 0 EDADLP [NH3+][C@@H]1CCCCN(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1=O ZINC000649303728 451979395 /nfs/dbraw/zinc/97/93/95/451979395.db2.gz XYQHCVLPIQZLGK-CQSZACIVSA-N 2 2 345.378 1.290 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C1 ZINC000649305883 451983065 /nfs/dbraw/zinc/98/30/65/451983065.db2.gz JTLWWGVZXHCZNV-MRXNPFEDSA-N 2 2 340.855 1.252 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000649308943 451986201 /nfs/dbraw/zinc/98/62/01/451986201.db2.gz JCWGREDGNGPANE-RHSMWYFYSA-N 2 2 336.505 1.109 20 0 EDADLP CN1CC[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000649308943 451986202 /nfs/dbraw/zinc/98/62/02/451986202.db2.gz JCWGREDGNGPANE-RHSMWYFYSA-N 2 2 336.505 1.109 20 0 EDADLP CN1CC[NH+]([C@@H](C(=O)N2CCC(C)([NH3+])CC2)c2ccccc2)CC1 ZINC000646993357 451992191 /nfs/dbraw/zinc/99/21/91/451992191.db2.gz SLDMICDZPCJAOP-QGZVFWFLSA-N 2 2 330.476 1.315 20 0 EDADLP C[C@H](c1cccc(NC(=O)COC2(C)C[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000649322878 452001222 /nfs/dbraw/zinc/00/12/22/452001222.db2.gz SKTNTWJZVRZJQP-CQSZACIVSA-N 2 2 333.432 1.397 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C(=O)N1C ZINC000639690730 452028802 /nfs/dbraw/zinc/02/88/02/452028802.db2.gz IYRBGRYXRVROLL-IKGGRYGDSA-N 2 2 345.487 1.958 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C(=O)N1C ZINC000639690730 452028803 /nfs/dbraw/zinc/02/88/03/452028803.db2.gz IYRBGRYXRVROLL-IKGGRYGDSA-N 2 2 345.487 1.958 20 0 EDADLP C[NH+](C)C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000641498193 452028871 /nfs/dbraw/zinc/02/88/71/452028871.db2.gz WVXTZPQOQBQIOX-HNNXBMFYSA-N 2 2 340.424 1.245 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000649352430 452034902 /nfs/dbraw/zinc/03/49/02/452034902.db2.gz RBQIVNVGKNWUFH-ULQDDVLXSA-N 2 2 345.491 1.468 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649352946 452037858 /nfs/dbraw/zinc/03/78/58/452037858.db2.gz WQVUERGQEWIHOU-DZGCQCFKSA-N 2 2 338.402 1.532 20 0 EDADLP c1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)cc(C[NH+]2CCOCC2)c1 ZINC000643251497 452095898 /nfs/dbraw/zinc/09/58/98/452095898.db2.gz WEOUXNVQBJOUNQ-FQEVSTJZSA-N 2 2 345.487 1.425 20 0 EDADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761003 452099366 /nfs/dbraw/zinc/09/93/66/452099366.db2.gz DOXOIUYUTYCATB-VQIMIIECSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761003 452099372 /nfs/dbraw/zinc/09/93/72/452099372.db2.gz DOXOIUYUTYCATB-VQIMIIECSA-N 2 2 333.476 1.388 20 0 EDADLP O[C@]1(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCCOC1 ZINC000649478880 452101488 /nfs/dbraw/zinc/10/14/88/452101488.db2.gz UYZDCOQICBYXFN-KRWDZBQOSA-N 2 2 340.387 1.554 20 0 EDADLP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)C1CCCCC1 ZINC000639766372 452108434 /nfs/dbraw/zinc/10/84/34/452108434.db2.gz OQUREUODRJJBHW-VQIMIIECSA-N 2 2 339.524 1.945 20 0 EDADLP CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)C1CCCCC1 ZINC000639766372 452108439 /nfs/dbraw/zinc/10/84/39/452108439.db2.gz OQUREUODRJJBHW-VQIMIIECSA-N 2 2 339.524 1.945 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767218 452108585 /nfs/dbraw/zinc/10/85/85/452108585.db2.gz UCDFKAVHJYRRGW-FXAWDEMLSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767218 452108593 /nfs/dbraw/zinc/10/85/93/452108593.db2.gz UCDFKAVHJYRRGW-FXAWDEMLSA-N 2 2 347.503 1.812 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649535784 452131521 /nfs/dbraw/zinc/13/15/21/452131521.db2.gz HKCZGMGESWGYBC-JKSUJKDBSA-N 2 2 346.431 1.448 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649535784 452131527 /nfs/dbraw/zinc/13/15/27/452131527.db2.gz HKCZGMGESWGYBC-JKSUJKDBSA-N 2 2 346.431 1.448 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649535784 452131534 /nfs/dbraw/zinc/13/15/34/452131534.db2.gz HKCZGMGESWGYBC-JKSUJKDBSA-N 2 2 346.431 1.448 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000649535784 452131540 /nfs/dbraw/zinc/13/15/40/452131540.db2.gz HKCZGMGESWGYBC-JKSUJKDBSA-N 2 2 346.431 1.448 20 0 EDADLP CO[C@]1(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CCOC1 ZINC000637878823 452132027 /nfs/dbraw/zinc/13/20/27/452132027.db2.gz KKHILECLRIESDF-SFHVURJKSA-N 2 2 334.464 1.836 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCCC2 ZINC000647289162 452167572 /nfs/dbraw/zinc/16/75/72/452167572.db2.gz FDOPABTXFOATFY-IAGOWNOFSA-N 2 2 347.507 1.277 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2)c2ncco2)CC1 ZINC000653910791 452172173 /nfs/dbraw/zinc/17/21/73/452172173.db2.gz WUEQJECCIZWHGB-MRXNPFEDSA-N 2 2 328.416 1.322 20 0 EDADLP Cc1cccc2c1cc[nH+]c2N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000645218129 452215929 /nfs/dbraw/zinc/21/59/29/452215929.db2.gz KSRTVZLILKWJCV-AWEZNQCLSA-N 2 2 328.416 1.166 20 0 EDADLP Cc1cccc2c1cc[nH+]c2N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000645218129 452215933 /nfs/dbraw/zinc/21/59/33/452215933.db2.gz KSRTVZLILKWJCV-AWEZNQCLSA-N 2 2 328.416 1.166 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000645221720 452218909 /nfs/dbraw/zinc/21/89/09/452218909.db2.gz PMJGSMSQNWKFKI-UHFFFAOYSA-N 2 2 331.460 1.647 20 0 EDADLP Cc1cc(NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc[nH+]1 ZINC000639899557 452225098 /nfs/dbraw/zinc/22/50/98/452225098.db2.gz CCUXYEFMHHPAMB-MRXNPFEDSA-N 2 2 332.448 1.919 20 0 EDADLP c1cn(CCN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000649751259 452229687 /nfs/dbraw/zinc/22/96/87/452229687.db2.gz HOYIHCIBQAOTHN-MOPGFXCFSA-N 2 2 326.444 1.858 20 0 EDADLP c1cn(CCN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000649751259 452229689 /nfs/dbraw/zinc/22/96/89/452229689.db2.gz HOYIHCIBQAOTHN-MOPGFXCFSA-N 2 2 326.444 1.858 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(C)s1 ZINC000643475163 452240686 /nfs/dbraw/zinc/24/06/86/452240686.db2.gz SDZLJWQAIDKHDN-TZMCWYRMSA-N 2 2 345.534 1.763 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000647519133 452252632 /nfs/dbraw/zinc/25/26/32/452252632.db2.gz JLFYUXBDYRKEDE-JKSUJKDBSA-N 2 2 329.444 1.449 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000647519133 452252635 /nfs/dbraw/zinc/25/26/35/452252635.db2.gz JLFYUXBDYRKEDE-JKSUJKDBSA-N 2 2 329.444 1.449 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1(C)C ZINC000641786402 452260986 /nfs/dbraw/zinc/26/09/86/452260986.db2.gz QBZQNPQJBZKVFP-RCCFBDPRSA-N 2 2 339.524 1.576 20 0 EDADLP COc1ccccc1C[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000638021277 452265653 /nfs/dbraw/zinc/26/56/53/452265653.db2.gz JQHOKOGAERHYGN-UHFFFAOYSA-N 2 2 347.503 1.924 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789761 452266931 /nfs/dbraw/zinc/26/69/31/452266931.db2.gz UAJGPXHCYMAHPI-IBGZPJMESA-N 2 2 347.503 1.890 20 0 EDADLP Fc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000641789768 452269294 /nfs/dbraw/zinc/26/92/94/452269294.db2.gz UNEAEWSVAOQTHD-QGZVFWFLSA-N 2 2 339.430 1.851 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN([C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000638023522 452271004 /nfs/dbraw/zinc/27/10/04/452271004.db2.gz OCJBGDNUSNVSCZ-KRWDZBQOSA-N 2 2 333.480 1.357 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000659432515 452279882 /nfs/dbraw/zinc/27/98/82/452279882.db2.gz AQWDDMJVDIANGD-MCIONIFRSA-N 2 2 335.452 1.102 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)NCC12CC(C1)C[NH2+]2 ZINC000659432549 452280045 /nfs/dbraw/zinc/28/00/45/452280045.db2.gz BYWIHLBTTGCLBL-UHFFFAOYSA-N 2 2 329.448 1.623 20 0 EDADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](Cc2ccccc2)C1 ZINC000649828551 452286008 /nfs/dbraw/zinc/28/60/08/452286008.db2.gz LPFIPXZIYCZMSK-IBGZPJMESA-N 2 2 344.503 1.009 20 0 EDADLP C[NH+]1CCN(C(=O)CCN2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000649828551 452286017 /nfs/dbraw/zinc/28/60/17/452286017.db2.gz LPFIPXZIYCZMSK-IBGZPJMESA-N 2 2 344.503 1.009 20 0 EDADLP C[NH+]1CCN(C(=O)CCN2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000649828551 452286031 /nfs/dbraw/zinc/28/60/31/452286031.db2.gz LPFIPXZIYCZMSK-IBGZPJMESA-N 2 2 344.503 1.009 20 0 EDADLP CN(C(=O)c1cnc(C2CC2)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639962447 452289147 /nfs/dbraw/zinc/28/91/47/452289147.db2.gz UAPILPBRVJIHAZ-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP CN(C(=O)c1cnc(C2CC2)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639962447 452289154 /nfs/dbraw/zinc/28/91/54/452289154.db2.gz UAPILPBRVJIHAZ-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP [NH3+][C@H](C(=O)NCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000638046811 452312046 /nfs/dbraw/zinc/31/20/46/452312046.db2.gz BOUDLAGMZOKYBJ-ZDUSSCGKSA-N 2 2 331.338 1.154 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000657526123 452313268 /nfs/dbraw/zinc/31/32/68/452313268.db2.gz AHHUDHXBRWBBEP-LBPRGKRZSA-N 2 2 345.896 1.950 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000657526123 452313274 /nfs/dbraw/zinc/31/32/74/452313274.db2.gz AHHUDHXBRWBBEP-LBPRGKRZSA-N 2 2 345.896 1.950 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000643595246 452319070 /nfs/dbraw/zinc/31/90/70/452319070.db2.gz NMZNEINMECOFII-FXAWDEMLSA-N 2 2 336.439 1.708 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CCF)CC2)C1 ZINC000639987986 452321095 /nfs/dbraw/zinc/32/10/95/452321095.db2.gz URCLAJMPMGPQBY-KRWDZBQOSA-N 2 2 343.487 1.531 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CCF)CC2)C1 ZINC000639987986 452321104 /nfs/dbraw/zinc/32/11/04/452321104.db2.gz URCLAJMPMGPQBY-KRWDZBQOSA-N 2 2 343.487 1.531 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(Br)cnn3)C2)CC1 ZINC000663598363 452326466 /nfs/dbraw/zinc/32/64/66/452326466.db2.gz YLKCNXYVPKCJMP-LBPRGKRZSA-N 2 2 340.269 1.820 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(Br)cnn3)C2)CC1 ZINC000663598363 452326474 /nfs/dbraw/zinc/32/64/74/452326474.db2.gz YLKCNXYVPKCJMP-LBPRGKRZSA-N 2 2 340.269 1.820 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000665758236 452328956 /nfs/dbraw/zinc/32/89/56/452328956.db2.gz CCQGRBHKMFHRRA-IRXDYDNUSA-N 3 2 341.544 1.240 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000665758236 452328966 /nfs/dbraw/zinc/32/89/66/452328966.db2.gz CCQGRBHKMFHRRA-IRXDYDNUSA-N 3 2 341.544 1.240 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665758236 452328979 /nfs/dbraw/zinc/32/89/79/452328979.db2.gz CCQGRBHKMFHRRA-IRXDYDNUSA-N 3 2 341.544 1.240 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665758236 452329011 /nfs/dbraw/zinc/32/90/11/452329011.db2.gz CCQGRBHKMFHRRA-IRXDYDNUSA-N 3 2 341.544 1.240 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659493126 452355454 /nfs/dbraw/zinc/35/54/54/452355454.db2.gz ASDOJDPKLRTLFI-CABCVRRESA-N 2 2 331.464 1.688 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659493126 452355463 /nfs/dbraw/zinc/35/54/63/452355463.db2.gz ASDOJDPKLRTLFI-CABCVRRESA-N 2 2 331.464 1.688 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659499461 452364112 /nfs/dbraw/zinc/36/41/12/452364112.db2.gz IJCODCVLDQHLEH-HZPDHXFCSA-N 2 2 327.432 1.848 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000638065854 452366659 /nfs/dbraw/zinc/36/66/59/452366659.db2.gz BWNPXLAGILRDEU-HZPDHXFCSA-N 2 2 346.475 1.140 20 0 EDADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638067037 452371648 /nfs/dbraw/zinc/37/16/48/452371648.db2.gz OKDIRIVBPNTQIS-VBNZEHGJSA-N 2 2 337.851 1.661 20 0 EDADLP C[C@H](CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)Cn1cc[nH+]c1 ZINC000638075636 452387472 /nfs/dbraw/zinc/38/74/72/452387472.db2.gz GOWHUDLVGDXTIF-HLLBOEOZSA-N 2 2 330.432 1.568 20 0 EDADLP O=C(NCC[NH2+]C1CCCCCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659523205 452387636 /nfs/dbraw/zinc/38/76/36/452387636.db2.gz JXERZHXHRJFKAO-QGZVFWFLSA-N 2 2 338.496 1.415 20 0 EDADLP O=C(CN1CC[NH2+]CC1)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000638079363 452394582 /nfs/dbraw/zinc/39/45/82/452394582.db2.gz STMYVLHISGGADN-UHFFFAOYSA-N 2 2 339.443 1.730 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000665853345 452416916 /nfs/dbraw/zinc/41/69/16/452416916.db2.gz GQIARRNIXMQAQQ-HUUCEWRRSA-N 2 2 340.431 1.309 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(C)(C)CO ZINC000663717649 452453526 /nfs/dbraw/zinc/45/35/26/452453526.db2.gz XJJREJPIDFNSSX-KKUMJFAQSA-N 2 2 349.479 1.406 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(C)(C)CO ZINC000663717649 452453531 /nfs/dbraw/zinc/45/35/31/452453531.db2.gz XJJREJPIDFNSSX-KKUMJFAQSA-N 2 2 349.479 1.406 20 0 EDADLP Cc1ccc2nc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn2c1 ZINC000663762682 452490037 /nfs/dbraw/zinc/49/00/37/452490037.db2.gz KDJGQFZHVHBJNU-UHFFFAOYSA-N 2 2 346.479 1.325 20 0 EDADLP Cc1ccc2nc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn2c1 ZINC000663762682 452490045 /nfs/dbraw/zinc/49/00/45/452490045.db2.gz KDJGQFZHVHBJNU-UHFFFAOYSA-N 2 2 346.479 1.325 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn2c1 ZINC000663762682 452490052 /nfs/dbraw/zinc/49/00/52/452490052.db2.gz KDJGQFZHVHBJNU-UHFFFAOYSA-N 3 2 346.479 1.325 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn2c1 ZINC000663762682 452490058 /nfs/dbraw/zinc/49/00/58/452490058.db2.gz KDJGQFZHVHBJNU-UHFFFAOYSA-N 3 2 346.479 1.325 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663769061 452497167 /nfs/dbraw/zinc/49/71/67/452497167.db2.gz IHROPFCYHAXDFA-KRWDZBQOSA-N 2 2 349.479 1.560 20 0 EDADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752795 452502206 /nfs/dbraw/zinc/50/22/06/452502206.db2.gz RKVSSNOMTBJNOO-LBPRGKRZSA-N 2 2 332.370 1.782 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)n[nH]1 ZINC000652335605 452504799 /nfs/dbraw/zinc/50/47/99/452504799.db2.gz URNIBTCIWXXGPB-CYBMUJFWSA-N 2 2 328.420 1.308 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)n[nH]1 ZINC000652335605 452504808 /nfs/dbraw/zinc/50/48/08/452504808.db2.gz URNIBTCIWXXGPB-CYBMUJFWSA-N 2 2 328.420 1.308 20 0 EDADLP CC(C)n1cc(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000654445164 452508588 /nfs/dbraw/zinc/50/85/88/452508588.db2.gz MEXZOXCKARSCEH-AWEZNQCLSA-N 2 2 334.468 1.754 20 0 EDADLP CC(C)n1cc(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000654445164 452508594 /nfs/dbraw/zinc/50/85/94/452508594.db2.gz MEXZOXCKARSCEH-AWEZNQCLSA-N 2 2 334.468 1.754 20 0 EDADLP CCNC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655691844 452512484 /nfs/dbraw/zinc/51/24/84/452512484.db2.gz XQRWVBJHVMHLSE-GOSISDBHSA-N 2 2 331.460 1.779 20 0 EDADLP CCNC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655700442 452521990 /nfs/dbraw/zinc/52/19/90/452521990.db2.gz ICZKPGYTMODFKJ-SFHVURJKSA-N 2 2 331.460 1.779 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655708759 452527108 /nfs/dbraw/zinc/52/71/08/452527108.db2.gz OFLWAZAUZKIFBX-MJGOQNOKSA-N 3 2 338.540 1.103 20 0 EDADLP Cc1[nH]c(CNC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)[nH+]c1C ZINC000657801038 452540340 /nfs/dbraw/zinc/54/03/40/452540340.db2.gz NAGLTOBUSMCLON-SFHVURJKSA-N 2 2 327.476 1.932 20 0 EDADLP Cc1[nH]c(CNC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)[nH+]c1C ZINC000657801038 452540345 /nfs/dbraw/zinc/54/03/45/452540345.db2.gz NAGLTOBUSMCLON-SFHVURJKSA-N 2 2 327.476 1.932 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)NCC1C[NH2+]C1 ZINC000640246045 452540620 /nfs/dbraw/zinc/54/06/20/452540620.db2.gz DXRGITSYZVVFFN-HNNXBMFYSA-N 2 2 327.432 1.738 20 0 EDADLP CCC[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370628 452560476 /nfs/dbraw/zinc/56/04/76/452560476.db2.gz HFLZFZIWAGDCCH-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370628 452560469 /nfs/dbraw/zinc/56/04/69/452560469.db2.gz HFLZFZIWAGDCCH-ZBFHGGJFSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000647863719 452600654 /nfs/dbraw/zinc/60/06/54/452600654.db2.gz IVUIOFQZDUEUMM-RDJZCZTQSA-N 2 2 344.463 1.558 20 0 EDADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000647863719 452600659 /nfs/dbraw/zinc/60/06/59/452600659.db2.gz IVUIOFQZDUEUMM-RDJZCZTQSA-N 2 2 344.463 1.558 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655830170 452602218 /nfs/dbraw/zinc/60/22/18/452602218.db2.gz UAZKTKFOGZBVDT-HFTRVMKXSA-N 2 2 325.460 1.783 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655830170 452602230 /nfs/dbraw/zinc/60/22/30/452602230.db2.gz UAZKTKFOGZBVDT-HFTRVMKXSA-N 2 2 325.460 1.783 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000652411742 452603355 /nfs/dbraw/zinc/60/33/55/452603355.db2.gz MDISYSDUZHVLTA-HNNXBMFYSA-N 2 2 349.479 1.210 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000652411742 452603365 /nfs/dbraw/zinc/60/33/65/452603365.db2.gz MDISYSDUZHVLTA-HNNXBMFYSA-N 2 2 349.479 1.210 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNc2cc(CO)cc(C)[nH+]2)nc[nH+]1 ZINC000647866861 452606032 /nfs/dbraw/zinc/60/60/32/452606032.db2.gz NILRPANKBZNSQX-AWEZNQCLSA-N 2 2 328.420 1.795 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNc2cc(CO)cc(C)[nH+]2)[nH+]cn1 ZINC000647866861 452606041 /nfs/dbraw/zinc/60/60/41/452606041.db2.gz NILRPANKBZNSQX-AWEZNQCLSA-N 2 2 328.420 1.795 20 0 EDADLP CC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H]1CCCCO1 ZINC000655847881 452610105 /nfs/dbraw/zinc/61/01/05/452610105.db2.gz DZQWITOZNHBIGL-MOPGFXCFSA-N 2 2 339.524 1.720 20 0 EDADLP CC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@@H]1CCCCO1 ZINC000655847881 452610113 /nfs/dbraw/zinc/61/01/13/452610113.db2.gz DZQWITOZNHBIGL-MOPGFXCFSA-N 2 2 339.524 1.720 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654546449 452628564 /nfs/dbraw/zinc/62/85/64/452628564.db2.gz UHGLJYMFPFQNMK-HZPDHXFCSA-N 2 2 336.480 1.167 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654546449 452628575 /nfs/dbraw/zinc/62/85/75/452628575.db2.gz UHGLJYMFPFQNMK-HZPDHXFCSA-N 2 2 336.480 1.167 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647925353 452661311 /nfs/dbraw/zinc/66/13/11/452661311.db2.gz FDLQXNPTPKKLSR-LBPRGKRZSA-N 2 2 325.403 1.825 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917851 452679661 /nfs/dbraw/zinc/67/96/61/452679661.db2.gz YAYUWHFCNUCKJX-DGCLKSJQSA-N 2 2 345.369 1.359 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC[C@H]1[NH3+] ZINC000647937956 452680418 /nfs/dbraw/zinc/68/04/18/452680418.db2.gz FNXPLWGQEQZESN-JJRVBVJISA-N 2 2 349.475 1.940 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC[C@H]1[NH3+] ZINC000647937956 452680421 /nfs/dbraw/zinc/68/04/21/452680421.db2.gz FNXPLWGQEQZESN-JJRVBVJISA-N 2 2 349.475 1.940 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000647966233 452710435 /nfs/dbraw/zinc/71/04/35/452710435.db2.gz HKATVIZOLMCGRH-FUHWJXTLSA-N 2 2 328.497 1.738 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000647966233 452710443 /nfs/dbraw/zinc/71/04/43/452710443.db2.gz HKATVIZOLMCGRH-FUHWJXTLSA-N 2 2 328.497 1.738 20 0 EDADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000655943627 452715064 /nfs/dbraw/zinc/71/50/64/452715064.db2.gz SGDJNULYDBNAEL-UHFFFAOYSA-N 2 2 331.416 1.947 20 0 EDADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000655943627 452715071 /nfs/dbraw/zinc/71/50/71/452715071.db2.gz SGDJNULYDBNAEL-UHFFFAOYSA-N 2 2 331.416 1.947 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000654657975 452773056 /nfs/dbraw/zinc/77/30/56/452773056.db2.gz ZGEFVSAIHHSPNL-CALCHBBNSA-N 2 2 331.464 1.249 20 0 EDADLP CCc1nc([C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cs1 ZINC000664083108 452777360 /nfs/dbraw/zinc/77/73/60/452777360.db2.gz HQBMGEDCLIKUNJ-ZDUSSCGKSA-N 2 2 341.525 1.949 20 0 EDADLP CCc1nc([C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000664083108 452777367 /nfs/dbraw/zinc/77/73/67/452777367.db2.gz HQBMGEDCLIKUNJ-ZDUSSCGKSA-N 2 2 341.525 1.949 20 0 EDADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1[nH+]ccn1Cc1ccccc1 ZINC000648064674 452793137 /nfs/dbraw/zinc/79/31/37/452793137.db2.gz HZNSUTFMORIIDS-MRXNPFEDSA-N 2 2 341.459 1.483 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652634809 452793548 /nfs/dbraw/zinc/79/35/48/452793548.db2.gz UVLSGUDBPQWJFY-UHFFFAOYSA-N 2 2 341.415 1.271 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000659911393 452801186 /nfs/dbraw/zinc/80/11/86/452801186.db2.gz XSNHQEPBXWMXBI-CEXWTWQISA-N 2 2 338.540 1.198 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000659911393 452801190 /nfs/dbraw/zinc/80/11/90/452801190.db2.gz XSNHQEPBXWMXBI-CEXWTWQISA-N 2 2 338.540 1.198 20 0 EDADLP Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)NCCC[NH+](C)C ZINC000650551281 452835909 /nfs/dbraw/zinc/83/59/09/452835909.db2.gz PAIHKPRRQSVKAT-MRXNPFEDSA-N 2 2 329.448 1.955 20 0 EDADLP CC(C)=CCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000659952996 452849350 /nfs/dbraw/zinc/84/93/50/452849350.db2.gz YAANFPSHNRWFTB-UHFFFAOYSA-N 2 2 331.464 1.792 20 0 EDADLP CC1(OCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C[NH2+]C1 ZINC000648153047 452865754 /nfs/dbraw/zinc/86/57/54/452865754.db2.gz AAOXTANGQBWAKD-UHFFFAOYSA-N 2 2 332.448 1.457 20 0 EDADLP CC1(OCC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)C[NH2+]C1 ZINC000648172807 452884108 /nfs/dbraw/zinc/88/41/08/452884108.db2.gz XYCWVHHBUGYMDF-STQMWFEESA-N 2 2 341.452 1.155 20 0 EDADLP CC1(OCC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)C[NH2+]C1 ZINC000648172807 452884117 /nfs/dbraw/zinc/88/41/17/452884117.db2.gz XYCWVHHBUGYMDF-STQMWFEESA-N 2 2 341.452 1.155 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000659978412 452887246 /nfs/dbraw/zinc/88/72/46/452887246.db2.gz FDVBSLJHYSBOKL-RTBURBONSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000659978412 452887253 /nfs/dbraw/zinc/88/72/53/452887253.db2.gz FDVBSLJHYSBOKL-RTBURBONSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000659978412 452887260 /nfs/dbraw/zinc/88/72/60/452887260.db2.gz FDVBSLJHYSBOKL-RTBURBONSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000659978412 452887266 /nfs/dbraw/zinc/88/72/66/452887266.db2.gz FDVBSLJHYSBOKL-RTBURBONSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)(C)CN1CCC[C@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662152884 452887810 /nfs/dbraw/zinc/88/78/10/452887810.db2.gz ISCFBIUPPVNXTD-IRXDYDNUSA-N 2 2 337.508 1.555 20 0 EDADLP CC(C)(C)CN1CCC[C@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662152884 452887819 /nfs/dbraw/zinc/88/78/19/452887819.db2.gz ISCFBIUPPVNXTD-IRXDYDNUSA-N 2 2 337.508 1.555 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CCN(Cc3c[nH+]cn3Cc3ccccc3)CC2)C1 ZINC000662152031 452887889 /nfs/dbraw/zinc/88/78/89/452887889.db2.gz MOHAHVHTBLMVGR-HXUWFJFHSA-N 2 2 340.471 1.962 20 0 EDADLP O[C@@H]1CC[N@H+](C2CCN(Cc3c[nH+]cn3Cc3ccccc3)CC2)C1 ZINC000662152031 452887901 /nfs/dbraw/zinc/88/79/01/452887901.db2.gz MOHAHVHTBLMVGR-HXUWFJFHSA-N 2 2 340.471 1.962 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)CC[N@H+]1C ZINC000664215409 452888711 /nfs/dbraw/zinc/88/87/11/452888711.db2.gz BMCCDXKYWWIKLB-MGPQQGTHSA-N 2 2 337.468 1.262 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662153636 452889117 /nfs/dbraw/zinc/88/91/17/452889117.db2.gz BEGUGEBWLNOYFD-MSOLQXFVSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662153636 452889124 /nfs/dbraw/zinc/88/91/24/452889124.db2.gz BEGUGEBWLNOYFD-MSOLQXFVSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662161453 452902326 /nfs/dbraw/zinc/90/23/26/452902326.db2.gz USOJBBRLIFVVMR-OALUTQOASA-N 2 2 348.487 1.574 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662161453 452902336 /nfs/dbraw/zinc/90/23/36/452902336.db2.gz USOJBBRLIFVVMR-OALUTQOASA-N 2 2 348.487 1.574 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000664252317 452933101 /nfs/dbraw/zinc/93/31/01/452933101.db2.gz MCHBUIPJCYAECW-KRWDZBQOSA-N 2 2 341.459 1.907 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000650755853 452971285 /nfs/dbraw/zinc/97/12/85/452971285.db2.gz OGXTXQSHXQOCTJ-WMZOPIPTSA-N 2 2 347.528 1.809 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)[NH+]1CCSCC1 ZINC000650755853 452971293 /nfs/dbraw/zinc/97/12/93/452971293.db2.gz OGXTXQSHXQOCTJ-WMZOPIPTSA-N 2 2 347.528 1.809 20 0 EDADLP CN1CCN(c2cc(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc[nH+]2)CC1=O ZINC000656228359 452976227 /nfs/dbraw/zinc/97/62/27/452976227.db2.gz WFXZNFWPEAQTRE-HUUCEWRRSA-N 2 2 344.463 1.184 20 0 EDADLP CN1CCN(c2cc(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)nc[nH+]2)CC1=O ZINC000656228359 452976234 /nfs/dbraw/zinc/97/62/34/452976234.db2.gz WFXZNFWPEAQTRE-HUUCEWRRSA-N 2 2 344.463 1.184 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664327995 453002576 /nfs/dbraw/zinc/00/25/76/453002576.db2.gz OLZJQXBJITXXJR-SJORKVTESA-N 2 2 342.528 1.620 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664327995 453002579 /nfs/dbraw/zinc/00/25/79/453002579.db2.gz OLZJQXBJITXXJR-SJORKVTESA-N 2 2 342.528 1.620 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000662279596 453003534 /nfs/dbraw/zinc/00/35/34/453003534.db2.gz AGJRTFNOKNKWAM-RDTXWAMCSA-N 2 2 340.427 1.973 20 0 EDADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccccc1C(F)(F)F ZINC000662285766 453009410 /nfs/dbraw/zinc/00/94/10/453009410.db2.gz HJXAKSYYJLMNRA-UHFFFAOYSA-N 2 2 331.338 1.348 20 0 EDADLP CC(C)c1ccc(CCNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662285671 453010113 /nfs/dbraw/zinc/01/01/13/453010113.db2.gz MTVQEXVPEJBAOZ-UHFFFAOYSA-N 2 2 333.476 1.173 20 0 EDADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318821 453035428 /nfs/dbraw/zinc/03/54/28/453035428.db2.gz HDDSKQQBSPLSPN-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318821 453035437 /nfs/dbraw/zinc/03/54/37/453035437.db2.gz HDDSKQQBSPLSPN-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](Cc2ccccc2)C1 ZINC000652882080 453037807 /nfs/dbraw/zinc/03/78/07/453037807.db2.gz LADWCQIZKDMYCK-ROUUACIJSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](Cc2ccccc2)C1 ZINC000652882080 453037810 /nfs/dbraw/zinc/03/78/10/453037810.db2.gz LADWCQIZKDMYCK-ROUUACIJSA-N 2 2 338.455 1.831 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660129167 453056036 /nfs/dbraw/zinc/05/60/36/453056036.db2.gz CTFAYDNSQBMTIA-QGZVFWFLSA-N 2 2 339.505 1.522 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660129167 453056046 /nfs/dbraw/zinc/05/60/46/453056046.db2.gz CTFAYDNSQBMTIA-QGZVFWFLSA-N 2 2 339.505 1.522 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662359202 453071824 /nfs/dbraw/zinc/07/18/24/453071824.db2.gz XICVNOVKFAPUFB-UHFFFAOYSA-N 2 2 325.372 1.719 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664410437 453073156 /nfs/dbraw/zinc/07/31/56/453073156.db2.gz VVLQDOVETZPJOW-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664410437 453073164 /nfs/dbraw/zinc/07/31/64/453073164.db2.gz VVLQDOVETZPJOW-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104965 453110388 /nfs/dbraw/zinc/11/03/88/453110388.db2.gz YWCWOIVJTMNOIQ-UHFFFAOYSA-N 2 2 333.432 1.430 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104965 453110396 /nfs/dbraw/zinc/11/03/96/453110396.db2.gz YWCWOIVJTMNOIQ-UHFFFAOYSA-N 2 2 333.432 1.430 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cccc(Cn2cc[nH+]c2)c1 ZINC000646119468 453131493 /nfs/dbraw/zinc/13/14/93/453131493.db2.gz PHHGFGQSFANYJF-SFHVURJKSA-N 2 2 339.443 1.051 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cccc(Cn2cc[nH+]c2)c1 ZINC000646119468 453131503 /nfs/dbraw/zinc/13/15/03/453131503.db2.gz PHHGFGQSFANYJF-SFHVURJKSA-N 2 2 339.443 1.051 20 0 EDADLP Cc1cccn2cc(CCNC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)[nH+]c12 ZINC000646138665 453148811 /nfs/dbraw/zinc/14/88/11/453148811.db2.gz PYBFGVGHWZIEPX-CYBMUJFWSA-N 2 2 338.415 1.415 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000655066303 453188014 /nfs/dbraw/zinc/18/80/14/453188014.db2.gz DUQHGOJVXYWGOM-YJBOKZPZSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000655066303 453188023 /nfs/dbraw/zinc/18/80/23/453188023.db2.gz DUQHGOJVXYWGOM-YJBOKZPZSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000655066303 453188029 /nfs/dbraw/zinc/18/80/29/453188029.db2.gz DUQHGOJVXYWGOM-YJBOKZPZSA-N 2 2 326.444 1.974 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000655066303 453188033 /nfs/dbraw/zinc/18/80/33/453188033.db2.gz DUQHGOJVXYWGOM-YJBOKZPZSA-N 2 2 326.444 1.974 20 0 EDADLP C[N@H+](CCO)Cc1cn(C[C@H]2CC[NH+](Cc3ccccc3)C2)nn1 ZINC000656468609 453205153 /nfs/dbraw/zinc/20/51/53/453205153.db2.gz PADKVRADSPQKDI-KRWDZBQOSA-N 2 2 329.448 1.224 20 0 EDADLP C[N@@H+](CCO)Cc1cn(C[C@H]2CC[NH+](Cc3ccccc3)C2)nn1 ZINC000656468609 453205158 /nfs/dbraw/zinc/20/51/58/453205158.db2.gz PADKVRADSPQKDI-KRWDZBQOSA-N 2 2 329.448 1.224 20 0 EDADLP C[NH+](CCO)Cc1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468609 453205168 /nfs/dbraw/zinc/20/51/68/453205168.db2.gz PADKVRADSPQKDI-KRWDZBQOSA-N 2 2 329.448 1.224 20 0 EDADLP C[NH+](CCO)Cc1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656468609 453205174 /nfs/dbraw/zinc/20/51/74/453205174.db2.gz PADKVRADSPQKDI-KRWDZBQOSA-N 2 2 329.448 1.224 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000656472555 453207371 /nfs/dbraw/zinc/20/73/71/453207371.db2.gz JGJVRIYJRKHMKJ-HNNXBMFYSA-N 2 2 338.415 1.542 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000656472555 453207375 /nfs/dbraw/zinc/20/73/75/453207375.db2.gz JGJVRIYJRKHMKJ-HNNXBMFYSA-N 2 2 338.415 1.542 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000660324317 453214601 /nfs/dbraw/zinc/21/46/01/453214601.db2.gz JNFNYPHBSQMUBG-SFHVURJKSA-N 2 2 346.475 1.364 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000666892901 453219757 /nfs/dbraw/zinc/21/97/57/453219757.db2.gz ADMMQSPWNNRCFL-INIZCTEOSA-N 2 2 332.448 1.782 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660339540 453229244 /nfs/dbraw/zinc/22/92/44/453229244.db2.gz IRNLHHZCMYRDBP-MRXNPFEDSA-N 2 2 347.463 1.200 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000653063157 453240215 /nfs/dbraw/zinc/24/02/15/453240215.db2.gz ZNFAYFZAGGVWFD-CQSZACIVSA-N 2 2 347.381 1.661 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000653066621 453244074 /nfs/dbraw/zinc/24/40/74/453244074.db2.gz ZXUFUXCQSZRQRS-GJZGRUSLSA-N 2 2 334.420 1.022 20 0 EDADLP CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653067537 453246149 /nfs/dbraw/zinc/24/61/49/453246149.db2.gz CIRIPKFTBSJACM-CJNGLKHVSA-N 2 2 334.464 1.566 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2cc3c(s2)CC[NH2+]C3)no1 ZINC000662527598 453248386 /nfs/dbraw/zinc/24/83/86/453248386.db2.gz WMFFNINNSOHICZ-UHFFFAOYSA-N 2 2 349.460 1.504 20 0 EDADLP CCOc1c(Cl)cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653072057 453251478 /nfs/dbraw/zinc/25/14/78/453251478.db2.gz CHKDQYBYRPNULP-CYBMUJFWSA-N 2 2 343.855 1.643 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000653075724 453254947 /nfs/dbraw/zinc/25/49/47/453254947.db2.gz YMXDOLHICFYGSP-MRXNPFEDSA-N 2 2 332.448 1.530 20 0 EDADLP C[C@@H]1CCn2ncc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000648780624 453263472 /nfs/dbraw/zinc/26/34/72/453263472.db2.gz SLOJKXVKRZPBOK-CABCVRRESA-N 2 2 345.491 1.364 20 0 EDADLP C[C@@H]1CCn2ncc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000648780624 453263476 /nfs/dbraw/zinc/26/34/76/453263476.db2.gz SLOJKXVKRZPBOK-CABCVRRESA-N 2 2 345.491 1.364 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@@H]1C ZINC000648788165 453276200 /nfs/dbraw/zinc/27/62/00/453276200.db2.gz UVOZIFPVQCCHKN-CVEARBPZSA-N 2 2 336.480 1.966 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@@H]1C ZINC000648788165 453276208 /nfs/dbraw/zinc/27/62/08/453276208.db2.gz UVOZIFPVQCCHKN-CVEARBPZSA-N 2 2 336.480 1.966 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000653094678 453278434 /nfs/dbraw/zinc/27/84/34/453278434.db2.gz MYGIRCKPDPZJDC-HOCLYGCPSA-N 2 2 335.423 1.526 20 0 EDADLP Brc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc2c1OCO2 ZINC000666964202 453282759 /nfs/dbraw/zinc/28/27/59/453282759.db2.gz KNCZVDIRGLUBEU-NSHDSACASA-N 2 2 343.221 1.646 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000653106918 453289791 /nfs/dbraw/zinc/28/97/91/453289791.db2.gz QJTARLQWOFPUBV-SFHVURJKSA-N 3 2 332.492 1.568 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000653106634 453290117 /nfs/dbraw/zinc/29/01/17/453290117.db2.gz GNWFNYASSOSYDA-GOSISDBHSA-N 3 2 332.492 1.568 20 0 EDADLP Cc1cc(Br)c(O)c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653151691 453339678 /nfs/dbraw/zinc/33/96/78/453339678.db2.gz OVUOXUGBFIRESZ-SNVBAGLBSA-N 2 2 330.226 1.681 20 0 EDADLP CC[N@H+](CC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1)C1CC1 ZINC000646325325 453322172 /nfs/dbraw/zinc/32/21/72/453322172.db2.gz PKLAVCVMJQZSDI-INIZCTEOSA-N 2 2 341.521 1.137 20 0 EDADLP CC[N@@H+](CC(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1)C1CC1 ZINC000646325325 453322181 /nfs/dbraw/zinc/32/21/81/453322181.db2.gz PKLAVCVMJQZSDI-INIZCTEOSA-N 2 2 341.521 1.137 20 0 EDADLP [NH3+][C@H]1CCc2nc(NC(=O)Cc3cn4c([nH+]3)CCCC4)sc2C1 ZINC000653140230 453330418 /nfs/dbraw/zinc/33/04/18/453330418.db2.gz RNRJKTRUFIVNIQ-JTQLQIEISA-N 2 2 331.445 1.673 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000653149015 453335963 /nfs/dbraw/zinc/33/59/63/453335963.db2.gz SVWWTNOOCYNCLX-LJQANCHMSA-N 3 2 346.519 1.433 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000653149015 453335974 /nfs/dbraw/zinc/33/59/74/453335974.db2.gz SVWWTNOOCYNCLX-LJQANCHMSA-N 3 2 346.519 1.433 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662622907 453340658 /nfs/dbraw/zinc/34/06/58/453340658.db2.gz IQCSONNBXQACDM-ZDUSSCGKSA-N 2 2 340.431 1.412 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662622568 453340954 /nfs/dbraw/zinc/34/09/54/453340954.db2.gz CZBFKTBDEWONPI-CYBMUJFWSA-N 2 2 340.431 1.412 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000648869591 453345843 /nfs/dbraw/zinc/34/58/43/453345843.db2.gz ZEOCTALCXFTABY-KBPBESRZSA-N 2 2 330.436 1.635 20 0 EDADLP C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653155882 453347556 /nfs/dbraw/zinc/34/75/56/453347556.db2.gz JXMPPSJOQVVZBG-UHOFOFEASA-N 2 2 339.867 1.907 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653169040 453360628 /nfs/dbraw/zinc/36/06/28/453360628.db2.gz ZYWNHXOFDQWIEJ-FUHWJXTLSA-N 3 2 338.540 1.769 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653169040 453360635 /nfs/dbraw/zinc/36/06/35/453360635.db2.gz ZYWNHXOFDQWIEJ-FUHWJXTLSA-N 3 2 338.540 1.769 20 0 EDADLP C[C@H](CC[NH2+][C@H](C(N)=O)c1cccc(Br)c1)[NH+](C)C ZINC000656682017 453364865 /nfs/dbraw/zinc/36/48/65/453364865.db2.gz ORZXRKSULABKHE-MFKMUULPSA-N 2 2 328.254 1.905 20 0 EDADLP CC(C)(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000662656783 453368872 /nfs/dbraw/zinc/36/88/72/453368872.db2.gz SUEIQVBYFIKPMF-DLBZAZTESA-N 2 2 331.460 1.646 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000648893977 453371025 /nfs/dbraw/zinc/37/10/25/453371025.db2.gz DNXPJRVWBWAJLE-DLBZAZTESA-N 2 2 348.491 1.967 20 0 EDADLP O=C(c1cccc2c1CC[NH2+]C2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000662688874 453408350 /nfs/dbraw/zinc/40/83/50/453408350.db2.gz QIMKBRFKJSOIBT-MRXNPFEDSA-N 2 2 329.444 1.269 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCO1 ZINC000662700806 453422353 /nfs/dbraw/zinc/42/23/53/453422353.db2.gz KURQDARAKXFSFK-YOEHRIQHSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCO1 ZINC000662700806 453422359 /nfs/dbraw/zinc/42/23/59/453422359.db2.gz KURQDARAKXFSFK-YOEHRIQHSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000646484358 453429883 /nfs/dbraw/zinc/42/98/83/453429883.db2.gz PKJDAQPXRHIHGD-NZSAHSFTSA-N 2 2 344.503 1.526 20 0 EDADLP Cc1cccn2cc(CNC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)[nH+]c12 ZINC000662727230 453453475 /nfs/dbraw/zinc/45/34/75/453453475.db2.gz MJTQOCBEFIDILQ-AWEZNQCLSA-N 2 2 326.322 1.801 20 0 EDADLP Cc1ccc2c(c1Br)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2 ZINC000662740168 453464827 /nfs/dbraw/zinc/46/48/27/453464827.db2.gz XVFBDZULAHJKLP-ZDUSSCGKSA-N 2 2 340.265 1.879 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000651322061 453469652 /nfs/dbraw/zinc/46/96/52/453469652.db2.gz BJHVPXVEMOGNFL-JKSUJKDBSA-N 3 2 345.491 1.039 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000651322061 453469660 /nfs/dbraw/zinc/46/96/60/453469660.db2.gz BJHVPXVEMOGNFL-JKSUJKDBSA-N 3 2 345.491 1.039 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000662745935 453474756 /nfs/dbraw/zinc/47/47/56/453474756.db2.gz XKWUDDHAQUDQPI-LJQANCHMSA-N 2 2 344.503 1.309 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000662745935 453474764 /nfs/dbraw/zinc/47/47/64/453474764.db2.gz XKWUDDHAQUDQPI-LJQANCHMSA-N 2 2 344.503 1.309 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655409592 453509805 /nfs/dbraw/zinc/50/98/05/453509805.db2.gz AFSIIMHMVBIWFE-BBWFWOEESA-N 2 2 340.427 1.209 20 0 EDADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655409592 453509816 /nfs/dbraw/zinc/50/98/16/453509816.db2.gz AFSIIMHMVBIWFE-BBWFWOEESA-N 2 2 340.427 1.209 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000655443277 453530756 /nfs/dbraw/zinc/53/07/56/453530756.db2.gz PBOOJQDKYHJJNP-UHFFFAOYSA-N 2 2 331.460 1.790 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000658920112 453537041 /nfs/dbraw/zinc/53/70/41/453537041.db2.gz PVTYQRSIFKEZFS-ZDUSSCGKSA-N 2 2 343.431 1.606 20 0 EDADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000658920111 453537166 /nfs/dbraw/zinc/53/71/66/453537166.db2.gz PVTYQRSIFKEZFS-CYBMUJFWSA-N 2 2 343.431 1.606 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000660710886 453539191 /nfs/dbraw/zinc/53/91/91/453539191.db2.gz CPYRVVDEFPURDR-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000660710886 453539194 /nfs/dbraw/zinc/53/91/94/453539194.db2.gz CPYRVVDEFPURDR-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NC[C@H]1CCCC[NH2+]1)CC2 ZINC000646649760 453540104 /nfs/dbraw/zinc/54/01/04/453540104.db2.gz VTUCKADKCJOQOM-MRXNPFEDSA-N 2 2 347.459 1.320 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC[C@H]1CCCC[NH2+]1)CC2 ZINC000646649760 453540111 /nfs/dbraw/zinc/54/01/11/453540111.db2.gz VTUCKADKCJOQOM-MRXNPFEDSA-N 2 2 347.459 1.320 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)NCC[NH2+]C3CC3)cc2[nH+]c1C1CC1 ZINC000667293339 453540467 /nfs/dbraw/zinc/54/04/67/453540467.db2.gz RMFKJPTWBMVUFW-UHFFFAOYSA-N 2 2 341.415 1.257 20 0 EDADLP C[C@@H]1CCC[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000660713587 453541618 /nfs/dbraw/zinc/54/16/18/453541618.db2.gz UNSISBVEWDRITH-VYDXJSESSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1CCC[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)O1 ZINC000660713587 453541620 /nfs/dbraw/zinc/54/16/20/453541620.db2.gz UNSISBVEWDRITH-VYDXJSESSA-N 2 2 338.496 1.412 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000658992626 453571340 /nfs/dbraw/zinc/57/13/40/453571340.db2.gz ISWGGOLJYQKAKS-UHFFFAOYSA-N 2 2 346.431 1.267 20 0 EDADLP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899136 453594105 /nfs/dbraw/zinc/59/41/05/453594105.db2.gz BVWYSNHMRPJJMP-AWEZNQCLSA-N 3 2 349.479 1.109 20 0 EDADLP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899136 453594107 /nfs/dbraw/zinc/59/41/07/453594107.db2.gz 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/nfs/dbraw/zinc/30/05/23/487300523.db2.gz KNGBMUMJNBIPJS-WMLDXEAASA-N 2 2 328.460 1.927 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C[N@H+]1C1CC1 ZINC000674695403 487300524 /nfs/dbraw/zinc/30/05/24/487300524.db2.gz KNGBMUMJNBIPJS-WMLDXEAASA-N 2 2 328.460 1.927 20 0 EDADLP c1c(CCNc2nc(N3CCOCC3)cc[nH+]2)[nH+]c2n1CCCC2 ZINC000682357569 487350310 /nfs/dbraw/zinc/35/03/10/487350310.db2.gz RJOWLOAJZWCYBD-UHFFFAOYSA-N 2 2 328.420 1.501 20 0 EDADLP Fc1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886866 487456748 /nfs/dbraw/zinc/45/67/48/487456748.db2.gz WHJNTGAXYSJLDD-HNAYVOBHSA-N 2 2 333.451 1.809 20 0 EDADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C12CCCCC2 ZINC000669520669 485488116 /nfs/dbraw/zinc/48/81/16/485488116.db2.gz TVELXRBPGQFMFZ-OWCLPIDISA-N 2 2 338.496 1.399 20 0 EDADLP CCO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C12CCCCC2 ZINC000669520669 485488126 /nfs/dbraw/zinc/48/81/26/485488126.db2.gz TVELXRBPGQFMFZ-OWCLPIDISA-N 2 2 338.496 1.399 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000669717395 485534956 /nfs/dbraw/zinc/53/49/56/485534956.db2.gz DJGJAUDOPANRIG-MRXNPFEDSA-N 2 2 326.462 1.246 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000669717395 485534957 /nfs/dbraw/zinc/53/49/57/485534957.db2.gz DJGJAUDOPANRIG-MRXNPFEDSA-N 2 2 326.462 1.246 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000669547549 485538782 /nfs/dbraw/zinc/53/87/82/485538782.db2.gz AJMUWRNWCRMHPP-CVEARBPZSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000669547549 485538786 /nfs/dbraw/zinc/53/87/86/485538786.db2.gz AJMUWRNWCRMHPP-CVEARBPZSA-N 2 2 338.402 1.761 20 0 EDADLP COC[C@H](C)Oc1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000668283207 485566376 /nfs/dbraw/zinc/56/63/76/485566376.db2.gz KZGOPOGXLFZPLZ-INIZCTEOSA-N 2 2 349.475 1.306 20 0 EDADLP COC[C@H](C)Oc1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000668283207 485566383 /nfs/dbraw/zinc/56/63/83/485566383.db2.gz KZGOPOGXLFZPLZ-INIZCTEOSA-N 2 2 349.475 1.306 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[C@H]1[NH3+] ZINC000669024516 485573977 /nfs/dbraw/zinc/57/39/77/485573977.db2.gz PLVYCIXIQRMCDN-HZPDHXFCSA-N 2 2 331.464 1.951 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000324595704 485578270 /nfs/dbraw/zinc/57/82/70/485578270.db2.gz FTBFFCFAUWWQFO-WMZOPIPTSA-N 2 2 331.460 1.646 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000324595704 485578277 /nfs/dbraw/zinc/57/82/77/485578277.db2.gz FTBFFCFAUWWQFO-WMZOPIPTSA-N 2 2 331.460 1.646 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000668506961 485821545 /nfs/dbraw/zinc/82/15/45/485821545.db2.gz LXYLOGHNHVQVET-XLNGHYISSA-N 2 2 344.521 1.431 20 0 EDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000668608531 485943499 /nfs/dbraw/zinc/94/34/99/485943499.db2.gz RFJFTMJRUCPIBQ-KURKYZTESA-N 2 2 346.475 1.314 20 0 EDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000668608531 485943503 /nfs/dbraw/zinc/94/35/03/485943503.db2.gz RFJFTMJRUCPIBQ-KURKYZTESA-N 2 2 346.475 1.314 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccncc3Cl)C2)CC1 ZINC000668638676 485980770 /nfs/dbraw/zinc/98/07/70/485980770.db2.gz AIGYEXHFYNGTRZ-AWEZNQCLSA-N 2 2 336.867 1.562 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccncc3Cl)C2)CC1 ZINC000668638676 485980773 /nfs/dbraw/zinc/98/07/73/485980773.db2.gz AIGYEXHFYNGTRZ-AWEZNQCLSA-N 2 2 336.867 1.562 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cc(C4CC4)no3)C2)CC1 ZINC000668640278 485984697 /nfs/dbraw/zinc/98/46/97/485984697.db2.gz QRYOHNLEJCEOOS-CQSZACIVSA-N 2 2 332.448 1.379 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cc(C4CC4)no3)C2)CC1 ZINC000668640278 485984704 /nfs/dbraw/zinc/98/47/04/485984704.db2.gz QRYOHNLEJCEOOS-CQSZACIVSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000284671291 486022290 /nfs/dbraw/zinc/02/22/90/486022290.db2.gz WOYRMACKBLWMLS-CZUORRHYSA-N 2 2 338.333 1.947 20 0 EDADLP CC(C)[NH+]1CCN(Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000202624154 486057046 /nfs/dbraw/zinc/05/70/46/486057046.db2.gz JTCNQDAGXJHNPD-UHFFFAOYSA-N 2 2 347.503 1.924 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000629173448 486113114 /nfs/dbraw/zinc/11/31/14/486113114.db2.gz FRRUNKMFVFIZOD-HUUCEWRRSA-N 2 2 325.840 1.126 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000629173448 486113119 /nfs/dbraw/zinc/11/31/19/486113119.db2.gz FRRUNKMFVFIZOD-HUUCEWRRSA-N 2 2 325.840 1.126 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)C1 ZINC000668740855 486113573 /nfs/dbraw/zinc/11/35/73/486113573.db2.gz MBDHBYDUQURHFG-GOSISDBHSA-N 2 2 330.476 1.713 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)C1 ZINC000668740855 486113578 /nfs/dbraw/zinc/11/35/78/486113578.db2.gz MBDHBYDUQURHFG-GOSISDBHSA-N 2 2 330.476 1.713 20 0 EDADLP COc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc2c1OCO2 ZINC000668793468 486204052 /nfs/dbraw/zinc/20/40/52/486204052.db2.gz CDXMIUVRZSNPMX-UHFFFAOYSA-N 2 2 330.388 1.480 20 0 EDADLP O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000668849451 486258522 /nfs/dbraw/zinc/25/85/22/486258522.db2.gz IVALGPUONHQFRJ-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP C[C@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)[NH+]1CCCCCC1 ZINC000670399774 486445177 /nfs/dbraw/zinc/44/51/77/486445177.db2.gz GDJZIKWYDOZTMR-OAHLLOKOSA-N 2 2 349.479 1.936 20 0 EDADLP Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCOCC2)c(N2CCCC2)[nH+]1 ZINC000669909358 486501836 /nfs/dbraw/zinc/50/18/36/486501836.db2.gz AFRGPRSEAMMZJD-UHFFFAOYSA-N 2 2 346.475 1.717 20 0 EDADLP O=C1NCC[C@@]12CCC[N@@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000516580257 486631249 /nfs/dbraw/zinc/63/12/49/486631249.db2.gz FGQFEZKQDIREIV-QUCCMNQESA-N 2 2 343.471 1.632 20 0 EDADLP O=C1NCC[C@@]12CCC[N@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000516580257 486631251 /nfs/dbraw/zinc/63/12/51/486631251.db2.gz FGQFEZKQDIREIV-QUCCMNQESA-N 2 2 343.471 1.632 20 0 EDADLP O=C1NCC[C@@]12CCC[NH+]2C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000516580257 486631253 /nfs/dbraw/zinc/63/12/53/486631253.db2.gz FGQFEZKQDIREIV-QUCCMNQESA-N 2 2 343.471 1.632 20 0 EDADLP O=C1NCC[C@@]12CCC[NH+]2C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000516580257 486631254 /nfs/dbraw/zinc/63/12/54/486631254.db2.gz FGQFEZKQDIREIV-QUCCMNQESA-N 2 2 343.471 1.632 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000131347381 491212546 /nfs/dbraw/zinc/21/25/46/491212546.db2.gz FDUZGRKOVFLFRF-GOSISDBHSA-N 2 2 343.471 1.578 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000131347381 491212550 /nfs/dbraw/zinc/21/25/50/491212550.db2.gz FDUZGRKOVFLFRF-GOSISDBHSA-N 2 2 343.471 1.578 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000073075617 491007393 /nfs/dbraw/zinc/00/73/93/491007393.db2.gz QSFBIAOOHLTLBD-GOSISDBHSA-N 2 2 346.475 1.227 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000073075617 491007394 /nfs/dbraw/zinc/00/73/94/491007394.db2.gz QSFBIAOOHLTLBD-GOSISDBHSA-N 2 2 346.475 1.227 20 0 EDADLP COCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000073075617 491007395 /nfs/dbraw/zinc/00/73/95/491007395.db2.gz QSFBIAOOHLTLBD-GOSISDBHSA-N 2 2 346.475 1.227 20 0 EDADLP COCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000073075617 491007396 /nfs/dbraw/zinc/00/73/96/491007396.db2.gz QSFBIAOOHLTLBD-GOSISDBHSA-N 2 2 346.475 1.227 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccc(O)c(F)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000450366744 491013926 /nfs/dbraw/zinc/01/39/26/491013926.db2.gz WGWCBMXVSXGXDL-CQSZACIVSA-N 2 2 349.450 1.701 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccc(O)c(F)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000450366744 491013927 /nfs/dbraw/zinc/01/39/27/491013927.db2.gz WGWCBMXVSXGXDL-CQSZACIVSA-N 2 2 349.450 1.701 20 0 EDADLP COc1ccccc1C(=O)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000077120812 491017653 /nfs/dbraw/zinc/01/76/53/491017653.db2.gz RVWZRYRFTVUDSH-UHFFFAOYSA-N 2 2 328.416 1.658 20 0 EDADLP Cc1ccc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000154614621 533745932 /nfs/dbraw/zinc/74/59/32/533745932.db2.gz FZBDLTKWWLEZHQ-DFNIBXOVSA-N 2 2 342.487 1.702 20 0 EDADLP Cc1ccc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000154614621 533745940 /nfs/dbraw/zinc/74/59/40/533745940.db2.gz FZBDLTKWWLEZHQ-DFNIBXOVSA-N 2 2 342.487 1.702 20 0 EDADLP CCn1nccc1CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000579498415 517887979 /nfs/dbraw/zinc/88/79/79/517887979.db2.gz REVDFMXQTVTIDL-UHFFFAOYSA-N 2 2 329.452 1.124 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CSC[NH2+]3)cc2)C[C@H](C)O1 ZINC000164594378 534473748 /nfs/dbraw/zinc/47/37/48/534473748.db2.gz UGQBBPQMPDGQJW-JKIFEVAISA-N 2 2 349.500 1.575 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@H]3CSC[NH2+]3)cc2)C[C@H](C)O1 ZINC000164594378 534473757 /nfs/dbraw/zinc/47/37/57/534473757.db2.gz UGQBBPQMPDGQJW-JKIFEVAISA-N 2 2 349.500 1.575 20 0 EDADLP CC[NH+](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)CCC(F)(F)F ZINC000357170975 521066948 /nfs/dbraw/zinc/06/69/48/521066948.db2.gz IBRYWEZIIIJLBP-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP CC[N@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)CCC(F)(F)F ZINC000357170975 521066937 /nfs/dbraw/zinc/06/69/37/521066937.db2.gz IBRYWEZIIIJLBP-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)CCC(F)(F)F ZINC000357170975 521066943 /nfs/dbraw/zinc/06/69/43/521066943.db2.gz IBRYWEZIIIJLBP-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)CCC(F)(F)F ZINC000357170975 521066954 /nfs/dbraw/zinc/06/69/54/521066954.db2.gz IBRYWEZIIIJLBP-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000166196031 534672883 /nfs/dbraw/zinc/67/28/83/534672883.db2.gz SUPLWRKWTVBFGY-KRWDZBQOSA-N 2 2 347.459 1.013 20 0 EDADLP CC(C)(CNC(=O)NCc1ccn2cc[nH+]c2c1)[NH+]1CCOCC1 ZINC000177906928 527137552 /nfs/dbraw/zinc/13/75/52/527137552.db2.gz GMWVKKFQZZFIBZ-UHFFFAOYSA-N 2 2 331.420 1.244 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000177838493 527836291 /nfs/dbraw/zinc/83/62/91/527836291.db2.gz FMYIXEDNQCQMFJ-AEFFLSMTSA-N 2 2 334.460 1.903 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000177838493 527836296 /nfs/dbraw/zinc/83/62/96/527836296.db2.gz FMYIXEDNQCQMFJ-AEFFLSMTSA-N 2 2 334.460 1.903 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000177838493 527836299 /nfs/dbraw/zinc/83/62/99/527836299.db2.gz FMYIXEDNQCQMFJ-AEFFLSMTSA-N 2 2 334.460 1.903 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000177838493 527836304 /nfs/dbraw/zinc/83/63/04/527836304.db2.gz FMYIXEDNQCQMFJ-AEFFLSMTSA-N 2 2 334.460 1.903 20 0 EDADLP CC(C)n1ncc2cc(C[NH+]3CCC([N@H+](C)CCO)CC3)cnc21 ZINC000264289947 535137163 /nfs/dbraw/zinc/13/71/63/535137163.db2.gz MYERXWJPYQFSRY-UHFFFAOYSA-N 2 2 331.464 1.901 20 0 EDADLP CC(C)n1ncc2cc(C[NH+]3CCC([N@@H+](C)CCO)CC3)cnc21 ZINC000264289947 535137168 /nfs/dbraw/zinc/13/71/68/535137168.db2.gz MYERXWJPYQFSRY-UHFFFAOYSA-N 2 2 331.464 1.901 20 0 EDADLP CC(C)[C@@](C)(CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352891870 535310518 /nfs/dbraw/zinc/31/05/18/535310518.db2.gz IXJKLNLPCOGBEN-LJQANCHMSA-N 2 2 333.476 1.327 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000077248876 535457176 /nfs/dbraw/zinc/45/71/76/535457176.db2.gz XZBBHGFHWHHSDM-QGZVFWFLSA-N 2 2 331.460 1.522 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000077248876 535457182 /nfs/dbraw/zinc/45/71/82/535457182.db2.gz XZBBHGFHWHHSDM-QGZVFWFLSA-N 2 2 331.460 1.522 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000035853663 535637558 /nfs/dbraw/zinc/63/75/58/535637558.db2.gz XQFHMOTXIXYCEI-KRWDZBQOSA-N 2 2 330.476 1.361 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000236955056 535652506 /nfs/dbraw/zinc/65/25/06/535652506.db2.gz NGYGGWRNDPNWAH-CZUORRHYSA-N 2 2 333.480 1.930 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)nc1 ZINC000346333064 535691337 /nfs/dbraw/zinc/69/13/37/535691337.db2.gz PEYZYBLLKOBTBQ-SUMWQHHRSA-N 2 2 344.459 1.519 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)nc1 ZINC000346333064 535691341 /nfs/dbraw/zinc/69/13/41/535691341.db2.gz PEYZYBLLKOBTBQ-SUMWQHHRSA-N 2 2 344.459 1.519 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262662118 535705653 /nfs/dbraw/zinc/70/56/53/535705653.db2.gz OAPOXHYUNDJAON-FUHWJXTLSA-N 2 2 332.492 1.385 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262662118 535705660 /nfs/dbraw/zinc/70/56/60/535705660.db2.gz OAPOXHYUNDJAON-FUHWJXTLSA-N 2 2 332.492 1.385 20 0 EDADLP CC[C@@H](CSC)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000091237688 535766283 /nfs/dbraw/zinc/76/62/83/535766283.db2.gz RIBLFKXOAVDGAU-AWEZNQCLSA-N 2 2 330.542 1.795 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262016088 535917263 /nfs/dbraw/zinc/91/72/63/535917263.db2.gz VQGSISVQLFDGIH-SFHVURJKSA-N 3 2 346.519 1.749 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(I)cc1 ZINC000227970989 535973834 /nfs/dbraw/zinc/97/38/34/535973834.db2.gz GFPWZXUWCGOQHI-CYBMUJFWSA-N 2 2 348.228 1.693 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2cscn2)CC1 ZINC000263884357 536371565 /nfs/dbraw/zinc/37/15/65/536371565.db2.gz SSEMMUNFOMOJJH-OAHLLOKOSA-N 2 2 337.493 1.455 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2cscn2)CC1 ZINC000263884357 536371569 /nfs/dbraw/zinc/37/15/69/536371569.db2.gz SSEMMUNFOMOJJH-OAHLLOKOSA-N 2 2 337.493 1.455 20 0 EDADLP C[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263884357 536371572 /nfs/dbraw/zinc/37/15/72/536371572.db2.gz SSEMMUNFOMOJJH-OAHLLOKOSA-N 2 2 337.493 1.455 20 0 EDADLP C[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263884357 536371573 /nfs/dbraw/zinc/37/15/73/536371573.db2.gz SSEMMUNFOMOJJH-OAHLLOKOSA-N 2 2 337.493 1.455 20 0 EDADLP C[NH2+][C@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)c1cnn(C)c1 ZINC000262457202 536383754 /nfs/dbraw/zinc/38/37/54/536383754.db2.gz WPQRHESGSUQVOL-RDJZCZTQSA-N 2 2 345.447 1.108 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000261821131 536774543 /nfs/dbraw/zinc/77/45/43/536774543.db2.gz HJKBFRAWNLDPGU-MRXNPFEDSA-N 2 2 341.839 1.383 20 0 EDADLP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000261821131 536774549 /nfs/dbraw/zinc/77/45/49/536774549.db2.gz HJKBFRAWNLDPGU-MRXNPFEDSA-N 2 2 341.839 1.383 20 0 EDADLP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccn1 ZINC000347268485 536814263 /nfs/dbraw/zinc/81/42/63/536814263.db2.gz JTAXZIODZFXVGC-UHFFFAOYSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccn1 ZINC000347268485 536814274 /nfs/dbraw/zinc/81/42/74/536814274.db2.gz JTAXZIODZFXVGC-UHFFFAOYSA-N 2 2 346.475 1.273 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261952343 536876336 /nfs/dbraw/zinc/87/63/36/536876336.db2.gz WMBBHVJTNIDFFV-SRVKXCTJSA-N 2 2 337.445 1.532 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261952343 536876341 /nfs/dbraw/zinc/87/63/41/536876341.db2.gz WMBBHVJTNIDFFV-SRVKXCTJSA-N 2 2 337.445 1.532 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCOC3CCCCCC3)CCO2)CC1 ZINC000740877387 579387882 /nfs/dbraw/zinc/38/78/82/579387882.db2.gz FGDFRKMPNCJGTK-IBGZPJMESA-N 2 2 339.524 1.674 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCOC3CCCCCC3)CCO2)CC1 ZINC000740877387 579387883 /nfs/dbraw/zinc/38/78/83/579387883.db2.gz FGDFRKMPNCJGTK-IBGZPJMESA-N 2 2 339.524 1.674 20 0 EDADLP COCCNC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741877829 579431104 /nfs/dbraw/zinc/43/11/04/579431104.db2.gz VMWIRQBHKIGZGA-UHFFFAOYSA-N 2 2 328.526 1.047 20 0 EDADLP C[NH+](C)CCNC(=S)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000741877623 579431141 /nfs/dbraw/zinc/43/11/41/579431141.db2.gz YHFCCJHONSESDC-OAHLLOKOSA-N 2 2 329.473 1.923 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)cn1 ZINC000725885922 578298417 /nfs/dbraw/zinc/29/84/17/578298417.db2.gz CMVYBNGVKSQJTP-UHFFFAOYSA-N 2 2 346.354 1.804 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCCC[NH+](C)Cc2ccccc2)CCO1 ZINC000726255970 578339049 /nfs/dbraw/zinc/33/90/49/578339049.db2.gz MFZZFSUDUWDVPW-KRWDZBQOSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+](C)Cc2ccccc2)CCO1 ZINC000726255970 578339050 /nfs/dbraw/zinc/33/90/50/578339050.db2.gz MFZZFSUDUWDVPW-KRWDZBQOSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000726255970 578339051 /nfs/dbraw/zinc/33/90/51/578339051.db2.gz MFZZFSUDUWDVPW-KRWDZBQOSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000726255970 578339052 /nfs/dbraw/zinc/33/90/52/578339052.db2.gz MFZZFSUDUWDVPW-KRWDZBQOSA-N 2 2 348.491 1.528 20 0 EDADLP O=C(CCCC[NH+]1CCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000729310494 578563490 /nfs/dbraw/zinc/56/34/90/578563490.db2.gz ZMMWELYPJXEHDO-UHFFFAOYSA-N 2 2 330.476 1.992 20 0 EDADLP CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000729683570 578587308 /nfs/dbraw/zinc/58/73/08/578587308.db2.gz OFAWGPFEGDTFPN-HZPDHXFCSA-N 2 2 339.461 1.011 20 0 EDADLP CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000729683570 578587309 /nfs/dbraw/zinc/58/73/09/578587309.db2.gz OFAWGPFEGDTFPN-HZPDHXFCSA-N 2 2 339.461 1.011 20 0 EDADLP CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000729919345 578599038 /nfs/dbraw/zinc/59/90/38/578599038.db2.gz FXLUMGNHRVIPGC-UHFFFAOYSA-N 2 2 349.870 1.639 20 0 EDADLP C[NH+]1CCC(CNC(=S)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000760467113 580031397 /nfs/dbraw/zinc/03/13/97/580031397.db2.gz PTZDNHGEZQIPNO-UHFFFAOYSA-N 2 2 347.532 1.416 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=S)NCC[NH+]1CCOCC1 ZINC000733210007 578752788 /nfs/dbraw/zinc/75/27/88/578752788.db2.gz QFDSKUVNNXJPRJ-HNNXBMFYSA-N 2 2 328.526 1.047 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=S)NCC[NH+]1CCOCC1 ZINC000733210007 578752790 /nfs/dbraw/zinc/75/27/90/578752790.db2.gz QFDSKUVNNXJPRJ-HNNXBMFYSA-N 2 2 328.526 1.047 20 0 EDADLP CCOC(=O)CCC[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000733997555 578792997 /nfs/dbraw/zinc/79/29/97/578792997.db2.gz ZSJSBXIDVDDZOQ-LJQANCHMSA-N 2 2 334.460 1.946 20 0 EDADLP CCOC(=O)CCC[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000733997555 578792999 /nfs/dbraw/zinc/79/29/99/578792999.db2.gz ZSJSBXIDVDDZOQ-LJQANCHMSA-N 2 2 334.460 1.946 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000746649522 579604973 /nfs/dbraw/zinc/60/49/73/579604973.db2.gz OAUJXQUIQIRWNE-ILOCAZANSA-N 2 2 335.492 1.919 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000746649522 579604975 /nfs/dbraw/zinc/60/49/75/579604975.db2.gz OAUJXQUIQIRWNE-ILOCAZANSA-N 2 2 335.492 1.919 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000746649520 579605010 /nfs/dbraw/zinc/60/50/10/579605010.db2.gz OAUJXQUIQIRWNE-ICUGJSFKSA-N 2 2 335.492 1.919 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000746649520 579605011 /nfs/dbraw/zinc/60/50/11/579605011.db2.gz OAUJXQUIQIRWNE-ICUGJSFKSA-N 2 2 335.492 1.919 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](C4CCCCC4)C3=O)C2)CC1 ZINC000777652812 580447657 /nfs/dbraw/zinc/44/76/57/580447657.db2.gz POMVKIBVQMBXAL-SJORKVTESA-N 2 2 348.491 1.656 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](C4CCCCC4)C3=O)C2)CC1 ZINC000777652812 580447658 /nfs/dbraw/zinc/44/76/58/580447658.db2.gz POMVKIBVQMBXAL-SJORKVTESA-N 2 2 348.491 1.656 20 0 EDADLP C[NH+]1CCC(CN2C(=O)N[C@](C)(C3CC3)C2=O)([NH+]2CCCCC2)CC1 ZINC000777662930 580447911 /nfs/dbraw/zinc/44/79/11/580447911.db2.gz GHKNUERECDTYPM-GOSISDBHSA-N 2 2 348.491 1.657 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000749207873 579716853 /nfs/dbraw/zinc/71/68/53/579716853.db2.gz NPGOCEUITPNBRS-CVEARBPZSA-N 2 2 340.431 1.693 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000749207873 579716854 /nfs/dbraw/zinc/71/68/54/579716854.db2.gz NPGOCEUITPNBRS-CVEARBPZSA-N 2 2 340.431 1.693 20 0 EDADLP c1cn(-c2ccc(CN3CC[NH+](C[C@@H]4CCCO4)CC3)cn2)c[nH+]1 ZINC000750033046 579749164 /nfs/dbraw/zinc/74/91/64/579749164.db2.gz MAFQQCHBBZPNRC-KRWDZBQOSA-N 2 2 327.432 1.564 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)c(N(C)C)[nH+]1 ZINC000750220569 579756302 /nfs/dbraw/zinc/75/63/02/579756302.db2.gz YYNQNQYRRVRSBK-UHFFFAOYSA-N 2 2 344.419 1.188 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(n2cc([C@H](C)O)nn2)C1 ZINC000753569116 579882994 /nfs/dbraw/zinc/88/29/94/579882994.db2.gz FIOHCPZGFOFUPW-ZDUSSCGKSA-N 2 2 339.403 1.277 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000756287384 579947412 /nfs/dbraw/zinc/94/74/12/579947412.db2.gz UAKFYERGJFIWIW-UHFFFAOYSA-N 2 2 331.420 1.356 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1C ZINC000765647183 580147228 /nfs/dbraw/zinc/14/72/28/580147228.db2.gz DSDSSHFYDQLBMK-CABCVRRESA-N 2 2 342.447 1.891 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1C ZINC000765647183 580147229 /nfs/dbraw/zinc/14/72/29/580147229.db2.gz DSDSSHFYDQLBMK-CABCVRRESA-N 2 2 342.447 1.891 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000770650765 580266709 /nfs/dbraw/zinc/26/67/09/580266709.db2.gz VYOUBQJTWZEBKR-CQSZACIVSA-N 2 2 333.436 1.998 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+]2CCC(c3cccnc3)CC2)C1 ZINC000783990849 580610673 /nfs/dbraw/zinc/61/06/73/580610673.db2.gz CGYNPZLTTQKUMF-KRWDZBQOSA-N 2 2 339.443 1.968 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+]2CCC(OCC3CC3)CC2)C1 ZINC000783997765 580611332 /nfs/dbraw/zinc/61/13/32/580611332.db2.gz SLYORMWJLHQPLQ-HNNXBMFYSA-N 2 2 332.448 1.585 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[NH+]2CCC(OC(C)(C)C)CC2)C1 ZINC000783997920 580611357 /nfs/dbraw/zinc/61/13/57/580611357.db2.gz WMGFBGYVQGNPGQ-AWEZNQCLSA-N 2 2 334.464 1.973 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000784590274 580624537 /nfs/dbraw/zinc/62/45/37/580624537.db2.gz XLSFKNLAMHNEGM-NVXWUHKLSA-N 2 2 347.459 1.385 20 0 EDADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786831238 580680525 /nfs/dbraw/zinc/68/05/25/580680525.db2.gz SDWCQFBTTPCDFA-JKSUJKDBSA-N 2 2 346.475 1.835 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(OCC[NH+](C)C)CC1)C2 ZINC000790448019 580770204 /nfs/dbraw/zinc/77/02/04/580770204.db2.gz ZLRVSXRCJDZSNX-UHFFFAOYSA-N 2 2 347.459 1.651 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000792973498 580832635 /nfs/dbraw/zinc/83/26/35/580832635.db2.gz LZHROEJYTQAAJM-HUUCEWRRSA-N 2 2 338.452 1.796 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000792973498 580832636 /nfs/dbraw/zinc/83/26/36/580832636.db2.gz LZHROEJYTQAAJM-HUUCEWRRSA-N 2 2 338.452 1.796 20 0 EDADLP CC[C@H](C)CC[C@@H](O)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000793615543 580849046 /nfs/dbraw/zinc/84/90/46/580849046.db2.gz NVCMAMRLMAMNET-DOTOQJQBSA-N 2 2 327.513 1.706 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC=C(c3ccco3)C1)C2=O ZINC000795651854 580932855 /nfs/dbraw/zinc/93/28/55/580932855.db2.gz SSEYVHLFIJEWTH-UHFFFAOYSA-N 2 2 344.415 1.342 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CCC=C(c3ccco3)C1)C2=O ZINC000795651854 580932856 /nfs/dbraw/zinc/93/28/56/580932856.db2.gz SSEYVHLFIJEWTH-UHFFFAOYSA-N 2 2 344.415 1.342 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)s1 ZINC000796343718 580951448 /nfs/dbraw/zinc/95/14/48/580951448.db2.gz RVOXUPOTQKWLOF-UHFFFAOYSA-N 2 2 330.457 1.780 20 0 EDADLP Cc1ccccc1[C@@H](O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000796406858 580953303 /nfs/dbraw/zinc/95/33/03/580953303.db2.gz JQYLDCFHKJYGNZ-FQEVSTJZSA-N 2 2 345.487 1.514 20 0 EDADLP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[NH+](C)C ZINC000796747365 580961138 /nfs/dbraw/zinc/96/11/38/580961138.db2.gz SIQBCRLUNYSMTR-VNQPRFMTSA-N 2 2 341.496 1.941 20 0 EDADLP CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000800456734 581053307 /nfs/dbraw/zinc/05/33/07/581053307.db2.gz MTYCEACFOASBGW-HNNXBMFYSA-N 2 2 334.445 1.666 20 0 EDADLP CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000800456734 581053308 /nfs/dbraw/zinc/05/33/08/581053308.db2.gz MTYCEACFOASBGW-HNNXBMFYSA-N 2 2 334.445 1.666 20 0 EDADLP CN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000891829590 590641362 /nfs/dbraw/zinc/64/13/62/590641362.db2.gz OCNHQWHRKRPFNR-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CN(C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000891829590 590641364 /nfs/dbraw/zinc/64/13/64/590641364.db2.gz OCNHQWHRKRPFNR-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP CC[NH+]1CCN(c2ccc(CNc3nccn4c[nH+]cc34)cn2)CC1 ZINC000891863453 590660469 /nfs/dbraw/zinc/66/04/69/590660469.db2.gz XZFBNROSKORXIN-UHFFFAOYSA-N 2 2 337.431 1.878 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000891926732 590691045 /nfs/dbraw/zinc/69/10/45/590691045.db2.gz OTMKFEIPLCHDOE-UHFFFAOYSA-N 2 2 343.471 1.752 20 0 EDADLP COc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000891949035 590700825 /nfs/dbraw/zinc/70/08/25/590700825.db2.gz JYSVWPREMRHCHL-UHFFFAOYSA-N 2 2 335.448 1.664 20 0 EDADLP C[C@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C[NH2+]1 ZINC000892292334 590919489 /nfs/dbraw/zinc/91/94/89/590919489.db2.gz PAQNWPTXQVYABT-ZFWWWQNUSA-N 2 2 349.504 1.575 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000892310752 590934723 /nfs/dbraw/zinc/93/47/23/590934723.db2.gz OZCMQLIHEUHXJN-YOEHRIQHSA-N 2 2 343.406 1.857 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000892310752 590934726 /nfs/dbraw/zinc/93/47/26/590934726.db2.gz OZCMQLIHEUHXJN-YOEHRIQHSA-N 2 2 343.406 1.857 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891333978 591048647 /nfs/dbraw/zinc/04/86/47/591048647.db2.gz XNTLDCNJZNSRRQ-RHSMWYFYSA-N 2 2 326.404 1.351 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1C ZINC000892517938 591056162 /nfs/dbraw/zinc/05/61/62/591056162.db2.gz VGJPZWCSNNVYPI-KBXCAEBGSA-N 2 2 332.448 1.800 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c1C ZINC000892517938 591056164 /nfs/dbraw/zinc/05/61/64/591056164.db2.gz VGJPZWCSNNVYPI-KBXCAEBGSA-N 2 2 332.448 1.800 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc[nH+]1 ZINC000891394138 591066698 /nfs/dbraw/zinc/06/66/98/591066698.db2.gz AMIJPOXODMJMOV-KRWDZBQOSA-N 2 2 341.459 1.982 20 0 EDADLP CNc1cc(N2CC[NH+](Cc3cc(OC)ccc3OC)CC2)nc[nH+]1 ZINC000891482866 591087948 /nfs/dbraw/zinc/08/79/48/591087948.db2.gz ZIBKFNZUZZUQDZ-UHFFFAOYSA-N 2 2 343.431 1.858 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC(C)(C)C[NH3+])C2)c1 ZINC000892609731 591093324 /nfs/dbraw/zinc/09/33/24/591093324.db2.gz VEXINLJMDIDZBB-MRXNPFEDSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC(C)(C)C[NH3+])C2)c1 ZINC000892609731 591093328 /nfs/dbraw/zinc/09/33/28/591093328.db2.gz VEXINLJMDIDZBB-MRXNPFEDSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])C2)c1 ZINC000892609526 591093364 /nfs/dbraw/zinc/09/33/64/591093364.db2.gz QUOQRPMHVWYDDJ-WBVHZDCISA-N 2 2 334.464 1.184 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])C2)c1 ZINC000892609526 591093368 /nfs/dbraw/zinc/09/33/68/591093368.db2.gz QUOQRPMHVWYDDJ-WBVHZDCISA-N 2 2 334.464 1.184 20 0 EDADLP [NH3+][C@H]1CCCCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000891503311 591097281 /nfs/dbraw/zinc/09/72/81/591097281.db2.gz CRKJTTBCZYXFQS-NSHDSACASA-N 2 2 333.358 1.858 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000892616990 591098326 /nfs/dbraw/zinc/09/83/26/591098326.db2.gz ZDSRBQZRAIVQQG-OWLYRPNTSA-N 2 2 328.460 1.942 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000892616990 591098330 /nfs/dbraw/zinc/09/83/30/591098330.db2.gz ZDSRBQZRAIVQQG-OWLYRPNTSA-N 2 2 328.460 1.942 20 0 EDADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCc2[nH+]ccn2C)cc1 ZINC000891509829 591098926 /nfs/dbraw/zinc/09/89/26/591098926.db2.gz XQKDSMNZXALSIY-OAHLLOKOSA-N 2 2 329.404 1.285 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(c2nc(N)[nH+]c(C(C)(C)C)n2)C1 ZINC000892774854 591172668 /nfs/dbraw/zinc/17/26/68/591172668.db2.gz PPMMCJHNEHDONX-CYBMUJFWSA-N 2 2 336.484 1.688 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc3oc(=O)oc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894075576 591187287 /nfs/dbraw/zinc/18/72/87/591187287.db2.gz FTAQKVNYTYFGFA-HOCLYGCPSA-N 2 2 345.443 1.844 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc3oc(=O)oc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894075576 591187290 /nfs/dbraw/zinc/18/72/90/591187290.db2.gz FTAQKVNYTYFGFA-HOCLYGCPSA-N 2 2 345.443 1.844 20 0 EDADLP COc1ccc2[nH+]ccc(N(C)C[C@@H](O)C[NH+]3CCOCC3)c2c1 ZINC000892857162 591205342 /nfs/dbraw/zinc/20/53/42/591205342.db2.gz SKNUGBARKVSTKB-CQSZACIVSA-N 2 2 331.416 1.373 20 0 EDADLP CCc1nnc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000892864866 591207560 /nfs/dbraw/zinc/20/75/60/591207560.db2.gz APVWKTULDPMBTM-UHFFFAOYSA-N 2 2 347.488 1.682 20 0 EDADLP F[C@H]1CC2(CC[C@@H]1[NH2+]CC1([NH+]3CCCC3)CCOCC1)OCCO2 ZINC000892928016 591228316 /nfs/dbraw/zinc/22/83/16/591228316.db2.gz DVAZOZWAAGIFHV-HOTGVXAUSA-N 2 2 342.455 1.855 20 0 EDADLP CCOC(=O)Cn1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)c(-c2cccnc2)n1 ZINC000894241914 591242244 /nfs/dbraw/zinc/24/22/44/591242244.db2.gz OUQLJJNHAOAFPT-MRXNPFEDSA-N 2 2 343.431 1.302 20 0 EDADLP CCOC(=O)Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c(-c2cccnc2)n1 ZINC000894241914 591242249 /nfs/dbraw/zinc/24/22/49/591242249.db2.gz OUQLJJNHAOAFPT-MRXNPFEDSA-N 2 2 343.431 1.302 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000892984505 591246416 /nfs/dbraw/zinc/24/64/16/591246416.db2.gz WJDOYTXEJITDPH-HOTGVXAUSA-N 2 2 333.480 1.828 20 0 EDADLP CC[C@@H](CO)Nc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)[nH+]cn1 ZINC000892984505 591246417 /nfs/dbraw/zinc/24/64/17/591246417.db2.gz WJDOYTXEJITDPH-HOTGVXAUSA-N 2 2 333.480 1.828 20 0 EDADLP Cc1ccncc1CCC[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895686922 591249526 /nfs/dbraw/zinc/24/95/26/591249526.db2.gz WFRBVHZWVRWTKB-FQEVSTJZSA-N 2 2 346.519 1.709 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)n[nH]1 ZINC000898383663 591337354 /nfs/dbraw/zinc/33/73/54/591337354.db2.gz AVFMLPAYSGYNCU-JKSUJKDBSA-N 2 2 333.480 1.979 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)n[nH]1 ZINC000898383663 591337357 /nfs/dbraw/zinc/33/73/57/591337357.db2.gz AVFMLPAYSGYNCU-JKSUJKDBSA-N 2 2 333.480 1.979 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)n[nH]1 ZINC000898383663 591337362 /nfs/dbraw/zinc/33/73/62/591337362.db2.gz AVFMLPAYSGYNCU-JKSUJKDBSA-N 2 2 333.480 1.979 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)n[nH]1 ZINC000898383663 591337363 /nfs/dbraw/zinc/33/73/63/591337363.db2.gz AVFMLPAYSGYNCU-JKSUJKDBSA-N 2 2 333.480 1.979 20 0 EDADLP CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000898595879 591428659 /nfs/dbraw/zinc/42/86/59/591428659.db2.gz LOMZERNZYQOENN-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896375478 591442774 /nfs/dbraw/zinc/44/27/74/591442774.db2.gz KPEKCGKQBZRSSO-CRAIPNDOSA-N 2 2 344.459 1.008 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898719151 591483499 /nfs/dbraw/zinc/48/34/99/591483499.db2.gz CEOBUPVWFDXLDX-UKKRHICBSA-N 2 2 342.237 1.748 20 0 EDADLP CO[C@H](C[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1)[C@@H]1CCOC1 ZINC000898720912 591484103 /nfs/dbraw/zinc/48/41/03/591484103.db2.gz OHRRJUNVAKXTFH-GRYCIOLGSA-N 2 2 344.253 1.602 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)nc[nH+]1 ZINC000896524783 591493130 /nfs/dbraw/zinc/49/31/30/591493130.db2.gz HWXNUPGGOBOUKO-DZGCQCFKSA-N 2 2 335.452 1.325 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)nc[nH+]1 ZINC000896524783 591493135 /nfs/dbraw/zinc/49/31/35/591493135.db2.gz HWXNUPGGOBOUKO-DZGCQCFKSA-N 2 2 335.452 1.325 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC([NH+]3CCOCC3)CC2)n[nH]1 ZINC000898798967 591532117 /nfs/dbraw/zinc/53/21/17/591532117.db2.gz UAHQFLVPBUSAHX-KRWDZBQOSA-N 2 2 347.463 1.113 20 0 EDADLP CN(C(=O)NCc1nc(C[NH+](C)C)cs1)[C@H]1CCC[N@@H+](C)C1 ZINC000896595509 591546066 /nfs/dbraw/zinc/54/60/66/591546066.db2.gz VDHFOHBTNYORRS-ZDUSSCGKSA-N 2 2 325.482 1.440 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C12CCC2 ZINC000898836976 591547004 /nfs/dbraw/zinc/54/70/04/591547004.db2.gz YKHQTYUKIQFUJD-HZPDHXFCSA-N 2 2 325.416 1.870 20 0 EDADLP C[C@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000898883107 591576842 /nfs/dbraw/zinc/57/68/42/591576842.db2.gz CQBGUGFWAMKEEB-CZUORRHYSA-N 2 2 328.416 1.017 20 0 EDADLP C[C@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)[N@H+]1CCc2ccccc2C1 ZINC000898883107 591576845 /nfs/dbraw/zinc/57/68/45/591576845.db2.gz CQBGUGFWAMKEEB-CZUORRHYSA-N 2 2 328.416 1.017 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)c1ccccc1 ZINC000898882906 591576916 /nfs/dbraw/zinc/57/69/16/591576916.db2.gz AYHQSRWIMLBWPA-WBVHZDCISA-N 2 2 330.432 1.653 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc[nH+]1 ZINC000895125063 591602462 /nfs/dbraw/zinc/60/24/62/591602462.db2.gz QQCUNRFNCWIDEP-ZBFHGGJFSA-N 2 2 349.479 1.397 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000898963017 591618270 /nfs/dbraw/zinc/61/82/70/591618270.db2.gz VRVCMCWRFFTYQN-UONOGXRCSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000898963017 591618272 /nfs/dbraw/zinc/61/82/72/591618272.db2.gz VRVCMCWRFFTYQN-UONOGXRCSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000898968489 591621585 /nfs/dbraw/zinc/62/15/85/591621585.db2.gz CSRBWJULBWTWPE-OAHLLOKOSA-N 2 2 325.416 1.798 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCSC(C)(C)C1 ZINC000897856691 591680026 /nfs/dbraw/zinc/68/00/26/591680026.db2.gz QCYRWOLFELNIDS-AWEZNQCLSA-N 2 2 330.542 1.843 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCSC(C)(C)C1 ZINC000897856691 591680030 /nfs/dbraw/zinc/68/00/30/591680030.db2.gz QCYRWOLFELNIDS-AWEZNQCLSA-N 2 2 330.542 1.843 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000866907943 591702759 /nfs/dbraw/zinc/70/27/59/591702759.db2.gz LASYJSGTHIUABM-XQRVVYSFSA-N 2 2 349.519 1.989 20 0 EDADLP OCC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000897886308 591706756 /nfs/dbraw/zinc/70/67/56/591706756.db2.gz ZCOGDZZEKKKWFT-LJQANCHMSA-N 2 2 339.524 1.314 20 0 EDADLP OCC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCCC1 ZINC000897886308 591706757 /nfs/dbraw/zinc/70/67/57/591706757.db2.gz ZCOGDZZEKKKWFT-LJQANCHMSA-N 2 2 339.524 1.314 20 0 EDADLP COC(=O)c1cc(C2C[NH+](Cc3ccnn3-c3cc[nH+]cc3)C2)[nH]n1 ZINC000898002655 591742450 /nfs/dbraw/zinc/74/24/50/591742450.db2.gz XYPHHCSQMDCXMO-UHFFFAOYSA-N 2 2 338.371 1.376 20 0 EDADLP Nc1nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nc(C2CCCC2)[nH+]1 ZINC000897218749 591773042 /nfs/dbraw/zinc/77/30/42/591773042.db2.gz GFHQLIUJRBPKDR-KGLIPLIRSA-N 2 2 332.452 1.147 20 0 EDADLP Nc1nc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nc(C2CCCC2)[nH+]1 ZINC000897218749 591773044 /nfs/dbraw/zinc/77/30/44/591773044.db2.gz GFHQLIUJRBPKDR-KGLIPLIRSA-N 2 2 332.452 1.147 20 0 EDADLP Cc1cc(-c2cnc(C[NH3+])nc2)ccc1OCC[NH+]1CCOCC1 ZINC000899322273 591774929 /nfs/dbraw/zinc/77/49/29/591774929.db2.gz FVMMAPZHWYDBCF-UHFFFAOYSA-N 2 2 328.416 1.622 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@@H](C)O1 ZINC000895552481 591798830 /nfs/dbraw/zinc/79/88/30/591798830.db2.gz OLHGREKCELHSJV-KFWWJZLASA-N 2 2 325.497 1.863 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@@H](C)O1 ZINC000895552481 591798833 /nfs/dbraw/zinc/79/88/33/591798833.db2.gz OLHGREKCELHSJV-KFWWJZLASA-N 2 2 325.497 1.863 20 0 EDADLP CCOC(=O)c1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)on1 ZINC000895558689 591801364 /nfs/dbraw/zinc/80/13/64/591801364.db2.gz ZDIVHJOWSDAHOO-ZDUSSCGKSA-N 2 2 330.388 1.957 20 0 EDADLP C/C(=C\C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C[NH+]1CCOCC1 ZINC000900067307 591885965 /nfs/dbraw/zinc/88/59/65/591885965.db2.gz SNPQFNFQYDSYDA-FOWTUZBSSA-N 2 2 344.459 1.577 20 0 EDADLP COCC[C@@H]1CCN(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1=O ZINC000902196858 591943410 /nfs/dbraw/zinc/94/34/10/591943410.db2.gz TUGRYAGILRSOMD-LUKYLMHMSA-N 2 2 339.480 1.012 20 0 EDADLP COCC[C@@H]1CCN(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1=O ZINC000902196858 591943411 /nfs/dbraw/zinc/94/34/11/591943411.db2.gz TUGRYAGILRSOMD-LUKYLMHMSA-N 2 2 339.480 1.012 20 0 EDADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H](O)C1(O)CCC1)c1cccc(OC)c1 ZINC000899863808 591967781 /nfs/dbraw/zinc/96/77/81/591967781.db2.gz ABBKMXVXBHEZGW-ROUUACIJSA-N 2 2 336.476 1.944 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(NCCCCC[NH+]2CCNCC2)[nH+]1 ZINC000900357987 591994057 /nfs/dbraw/zinc/99/40/57/591994057.db2.gz GJMXYYKIVDCWEC-MRXNPFEDSA-N 2 2 348.495 1.555 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000902448670 591998892 /nfs/dbraw/zinc/99/88/92/591998892.db2.gz GOKFUSFQFVZEHR-XJKSGUPXSA-N 2 2 337.489 1.875 20 0 EDADLP c1c(-c2ccccc2)nc2sc(N3CC[NH2+]CC[NH2+]CC3)nn12 ZINC000900370101 591999127 /nfs/dbraw/zinc/99/91/27/591999127.db2.gz SPIBLUDFEIJZMN-UHFFFAOYSA-N 2 2 328.445 1.457 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900548167 592045486 /nfs/dbraw/zinc/04/54/86/592045486.db2.gz QEXPEXXFHDWEKL-UHFFFAOYSA-N 2 2 329.444 1.435 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@](C)(O)c3ccc(F)cc3)nn2)CC1 ZINC000900581593 592058254 /nfs/dbraw/zinc/05/82/54/592058254.db2.gz PIKTUYYQBBUABO-GOSISDBHSA-N 2 2 347.438 1.509 20 0 EDADLP CN(C)c1cccnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674694 592090890 /nfs/dbraw/zinc/09/08/90/592090890.db2.gz MCFFMRJEENTKLB-AWEZNQCLSA-N 2 2 331.464 1.046 20 0 EDADLP CN(C)c1cccnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674694 592090892 /nfs/dbraw/zinc/09/08/92/592090892.db2.gz MCFFMRJEENTKLB-AWEZNQCLSA-N 2 2 331.464 1.046 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccnn1CC[NH+](C)C)C2 ZINC000900677212 592091624 /nfs/dbraw/zinc/09/16/24/592091624.db2.gz BUYLVDWDUJPMGL-UHFFFAOYSA-N 2 2 344.463 1.500 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903039457 592105230 /nfs/dbraw/zinc/10/52/30/592105230.db2.gz USDUGBAWLGAWPY-HIFRSBDPSA-N 2 2 334.445 1.557 20 0 EDADLP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCO[C@@]34CCOC4)CC2)cc1 ZINC000903061100 592111541 /nfs/dbraw/zinc/11/15/41/592111541.db2.gz AGZSDGFXJYGOIJ-VQTJNVASSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000903082760 592117198 /nfs/dbraw/zinc/11/71/98/592117198.db2.gz WGZUMRDAXLTQGX-KSSFIOAISA-N 2 2 342.399 1.744 20 0 EDADLP C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903093608 592122135 /nfs/dbraw/zinc/12/21/35/592122135.db2.gz JJYHPJQJBFRSCD-CQSZACIVSA-N 2 2 348.472 1.947 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000903238305 592142481 /nfs/dbraw/zinc/14/24/81/592142481.db2.gz ZMYKSXVJLLPWRN-CABZTGNLSA-N 2 2 346.353 1.084 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CC(F)(F)F)c(=O)[nH]c1=O ZINC000903238305 592142484 /nfs/dbraw/zinc/14/24/84/592142484.db2.gz ZMYKSXVJLLPWRN-CABZTGNLSA-N 2 2 346.353 1.084 20 0 EDADLP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900801536 592143035 /nfs/dbraw/zinc/14/30/35/592143035.db2.gz BLYKBNVFEOTNKS-YOEHRIQHSA-N 2 2 343.475 1.655 20 0 EDADLP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000900801536 592143038 /nfs/dbraw/zinc/14/30/38/592143038.db2.gz BLYKBNVFEOTNKS-YOEHRIQHSA-N 2 2 343.475 1.655 20 0 EDADLP C[C@@H](NC(=O)CNc1cccc[nH+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000900849415 592147052 /nfs/dbraw/zinc/14/70/52/592147052.db2.gz YGIQYKWEBKFSFJ-OAHLLOKOSA-N 2 2 332.448 1.643 20 0 EDADLP CO[C@]1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CCS(=O)(=O)C1 ZINC000903362556 592158616 /nfs/dbraw/zinc/15/86/16/592158616.db2.gz HKLFAUKRETZOGN-PBHICJAKSA-N 2 2 349.456 1.727 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000903459271 592171935 /nfs/dbraw/zinc/17/19/35/592171935.db2.gz SLPSYQYWMUEZFF-JRPNMDOOSA-N 2 2 329.366 1.851 20 0 EDADLP COc1ccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000903485100 592177803 /nfs/dbraw/zinc/17/78/03/592177803.db2.gz HZRXFSNEFOCHKZ-QGZVFWFLSA-N 2 2 347.459 1.584 20 0 EDADLP C/C(=C\C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C[NH+]1CCOCC1 ZINC000901038593 592207006 /nfs/dbraw/zinc/20/70/06/592207006.db2.gz DKHHMZLJTPJKQA-JBAYFQIUSA-N 2 2 332.448 1.571 20 0 EDADLP Cc1cccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903562086 592210617 /nfs/dbraw/zinc/21/06/17/592210617.db2.gz XIBSXQPXBRKGET-CALCHBBNSA-N 2 2 349.500 1.584 20 0 EDADLP Cc1cccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903562086 592210619 /nfs/dbraw/zinc/21/06/19/592210619.db2.gz XIBSXQPXBRKGET-CALCHBBNSA-N 2 2 349.500 1.584 20 0 EDADLP CC(C)Cc1ccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000903566237 592212887 /nfs/dbraw/zinc/21/28/87/592212887.db2.gz MVXWZGGOLGJLQR-UHFFFAOYSA-N 2 2 339.505 1.587 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)C(=O)Nc2ccccc2C[NH3+])CC1(C)C ZINC000906667096 592249300 /nfs/dbraw/zinc/24/93/00/592249300.db2.gz BNWISPLXFUZAQW-CQSZACIVSA-N 2 2 341.415 1.427 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906674346 592256136 /nfs/dbraw/zinc/25/61/36/592256136.db2.gz WKHYJZZGTJXBEB-UHFFFAOYSA-N 2 2 348.491 1.234 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000901159958 592271292 /nfs/dbraw/zinc/27/12/92/592271292.db2.gz ODNBIDKPZVEFPR-UHFFFAOYSA-N 2 2 349.523 1.846 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c(C)o1 ZINC000903722919 592283691 /nfs/dbraw/zinc/28/36/91/592283691.db2.gz QNCAKDHCBQXFJP-VQIMIIECSA-N 2 2 347.459 1.423 20 0 EDADLP CC(C)([NH3+])c1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000904595575 592292608 /nfs/dbraw/zinc/29/26/08/592292608.db2.gz JMQNZYKURWDNON-IYBDPMFKSA-N 2 2 332.448 1.865 20 0 EDADLP CC(C)([NH3+])c1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000904595575 592292609 /nfs/dbraw/zinc/29/26/09/592292609.db2.gz JMQNZYKURWDNON-IYBDPMFKSA-N 2 2 332.448 1.865 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc(C[C@@H]([NH3+])C(F)F)n3)cn2)CC1 ZINC000904661449 592308305 /nfs/dbraw/zinc/30/83/05/592308305.db2.gz YTMHBTRBNOVILZ-LLVKDONJSA-N 2 2 338.362 1.018 20 0 EDADLP [NH3+]CC1([C@H]2CCCC[N@@H+]2CCS(=O)(=O)c2ccccn2)CCC1 ZINC000903812179 592330545 /nfs/dbraw/zinc/33/05/45/592330545.db2.gz RPSMFMBAJWNDCE-OAHLLOKOSA-N 2 2 337.489 1.839 20 0 EDADLP [NH3+]CC1([C@H]2CCCC[N@H+]2CCS(=O)(=O)c2ccccn2)CCC1 ZINC000903812179 592330552 /nfs/dbraw/zinc/33/05/52/592330552.db2.gz RPSMFMBAJWNDCE-OAHLLOKOSA-N 2 2 337.489 1.839 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3ncon3)C2)C1 ZINC000908119222 592331817 /nfs/dbraw/zinc/33/18/17/592331817.db2.gz QAJRZOSMPAIQRI-HZPDHXFCSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3ncon3)C2)C1 ZINC000908119222 592331821 /nfs/dbraw/zinc/33/18/21/592331821.db2.gz QAJRZOSMPAIQRI-HZPDHXFCSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)C1 ZINC000908119222 592331824 /nfs/dbraw/zinc/33/18/24/592331824.db2.gz QAJRZOSMPAIQRI-HZPDHXFCSA-N 2 2 349.479 1.520 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)C1 ZINC000908119222 592331827 /nfs/dbraw/zinc/33/18/27/592331827.db2.gz QAJRZOSMPAIQRI-HZPDHXFCSA-N 2 2 349.479 1.520 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000903843470 592343031 /nfs/dbraw/zinc/34/30/31/592343031.db2.gz LMUBICVSKABUNN-OTWHNJEPSA-N 3 2 342.487 1.142 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000903843470 592343037 /nfs/dbraw/zinc/34/30/37/592343037.db2.gz LMUBICVSKABUNN-OTWHNJEPSA-N 3 2 342.487 1.142 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000906791316 592344720 /nfs/dbraw/zinc/34/47/20/592344720.db2.gz KQCFECRSWJHCFU-IRXDYDNUSA-N 2 2 348.491 1.375 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)c2cccn2CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000906791316 592344727 /nfs/dbraw/zinc/34/47/27/592344727.db2.gz KQCFECRSWJHCFU-IRXDYDNUSA-N 2 2 348.491 1.375 20 0 EDADLP Oc1ccccc1N1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903873380 592354780 /nfs/dbraw/zinc/35/47/80/592354780.db2.gz PMVLMLYGWSHHKS-OAHLLOKOSA-N 2 2 342.447 1.230 20 0 EDADLP COCC[N@H+](Cc1cccs1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903876157 592356888 /nfs/dbraw/zinc/35/68/88/592356888.db2.gz DWIAGZQTOOSQKO-AWEZNQCLSA-N 2 2 335.477 1.913 20 0 EDADLP COCC[N@@H+](Cc1cccs1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903876157 592356893 /nfs/dbraw/zinc/35/68/93/592356893.db2.gz DWIAGZQTOOSQKO-AWEZNQCLSA-N 2 2 335.477 1.913 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cnn1C ZINC000903880837 592360684 /nfs/dbraw/zinc/36/06/84/592360684.db2.gz WGDIPAZWPQPWSM-OAHLLOKOSA-N 2 2 335.496 1.036 20 0 EDADLP COc1cc(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000903884110 592362289 /nfs/dbraw/zinc/36/22/89/592362289.db2.gz RWWXDQCBVVONHN-OAHLLOKOSA-N 2 2 345.447 1.852 20 0 EDADLP COc1cc(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000903884110 592362294 /nfs/dbraw/zinc/36/22/94/592362294.db2.gz RWWXDQCBVVONHN-OAHLLOKOSA-N 2 2 345.447 1.852 20 0 EDADLP O[C@H]([C@H]1CCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000903892344 592363641 /nfs/dbraw/zinc/36/36/41/592363641.db2.gz HSAKCCFXIXTEGF-CYZMBNFOSA-N 2 2 333.358 1.090 20 0 EDADLP O[C@H]([C@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1)C(F)(F)F ZINC000903892344 592363644 /nfs/dbraw/zinc/36/36/44/592363644.db2.gz HSAKCCFXIXTEGF-CYZMBNFOSA-N 2 2 333.358 1.090 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cnn1C ZINC000903896912 592367255 /nfs/dbraw/zinc/36/72/55/592367255.db2.gz BFVFWDZPXGXQGV-JSGCOSHPSA-N 2 2 347.429 1.414 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)cnn1C ZINC000903896912 592367260 /nfs/dbraw/zinc/36/72/60/592367260.db2.gz BFVFWDZPXGXQGV-JSGCOSHPSA-N 2 2 347.429 1.414 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1C ZINC000903898743 592368270 /nfs/dbraw/zinc/36/82/70/592368270.db2.gz OKKGYCGJVPAKGF-LESCRADOSA-N 3 2 330.480 1.626 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cnn1C ZINC000903898743 592368276 /nfs/dbraw/zinc/36/82/76/592368276.db2.gz OKKGYCGJVPAKGF-LESCRADOSA-N 3 2 330.480 1.626 20 0 EDADLP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918327 592375677 /nfs/dbraw/zinc/37/56/77/592375677.db2.gz WSYAPHZZDWXMJP-QAPCUYQASA-N 2 2 349.479 1.900 20 0 EDADLP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918327 592375678 /nfs/dbraw/zinc/37/56/78/592375678.db2.gz WSYAPHZZDWXMJP-QAPCUYQASA-N 2 2 349.479 1.900 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cnn1C ZINC000903913973 592376057 /nfs/dbraw/zinc/37/60/57/592376057.db2.gz QYDMDMPSDIUQIU-CVEARBPZSA-N 3 2 330.480 1.459 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cnn1C ZINC000903913973 592376062 /nfs/dbraw/zinc/37/60/62/592376062.db2.gz QYDMDMPSDIUQIU-CVEARBPZSA-N 3 2 330.480 1.459 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C2=O)cc1 ZINC000903924873 592379400 /nfs/dbraw/zinc/37/94/00/592379400.db2.gz JBEIQSLGEBNIOU-GXTWGEPZSA-N 2 2 327.375 1.368 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cnn1C ZINC000903933138 592385182 /nfs/dbraw/zinc/38/51/82/592385182.db2.gz YWUAPSSJJYLLRP-HKUYNNGSSA-N 3 2 349.523 1.033 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905093207 592419069 /nfs/dbraw/zinc/41/90/69/592419069.db2.gz IDQFWWMBKBEDEL-IAGOWNOFSA-N 2 2 347.459 1.608 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905093207 592419073 /nfs/dbraw/zinc/41/90/73/592419073.db2.gz IDQFWWMBKBEDEL-IAGOWNOFSA-N 2 2 347.459 1.608 20 0 EDADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)C1(O)CCOCC1)c1ccccc1 ZINC000905095232 592420319 /nfs/dbraw/zinc/42/03/19/592420319.db2.gz CIWMZDIQMOUHBE-NVXWUHKLSA-N 2 2 336.476 1.608 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H]3C[C@H](C)[NH+](C4CC4)C3)co2)C1 ZINC000906940930 592421014 /nfs/dbraw/zinc/42/10/14/592421014.db2.gz KNWOCYWTDSTUSH-YDHLFZDLSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H]3C[C@H](C)[NH+](C4CC4)C3)co2)C1 ZINC000906940930 592421016 /nfs/dbraw/zinc/42/10/16/592421016.db2.gz KNWOCYWTDSTUSH-YDHLFZDLSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)co2)C1 ZINC000906940930 592421019 /nfs/dbraw/zinc/42/10/19/592421019.db2.gz KNWOCYWTDSTUSH-YDHLFZDLSA-N 2 2 348.447 1.250 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)co2)C1 ZINC000906940930 592421022 /nfs/dbraw/zinc/42/10/22/592421022.db2.gz KNWOCYWTDSTUSH-YDHLFZDLSA-N 2 2 348.447 1.250 20 0 EDADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1ccccc1 ZINC000905095897 592421361 /nfs/dbraw/zinc/42/13/61/592421361.db2.gz HHALHHDWEQMHNU-VDZJLULYSA-N 2 2 336.476 1.608 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901727705 592446131 /nfs/dbraw/zinc/44/61/31/592446131.db2.gz ICTVYFZJAQJQGJ-WDEREUQCSA-N 2 2 343.269 1.805 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904307751 592473948 /nfs/dbraw/zinc/47/39/48/592473948.db2.gz FOBOOZPTIXBOHU-PKOBYXMFSA-N 2 2 336.524 1.395 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]C[C@H](O)C2(O)CCCC2)CCC[N@@H+]1C ZINC000905254673 592478480 /nfs/dbraw/zinc/47/84/80/592478480.db2.gz FRFYICVTFSZBBH-BHYGNILZSA-N 2 2 336.480 1.059 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]C[C@H](O)C2(O)CCCC2)CCC[N@H+]1C ZINC000905254673 592478481 /nfs/dbraw/zinc/47/84/81/592478481.db2.gz FRFYICVTFSZBBH-BHYGNILZSA-N 2 2 336.480 1.059 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC000905401807 592521917 /nfs/dbraw/zinc/52/19/17/592521917.db2.gz ZJKBSUGVAIELNS-HOTGVXAUSA-N 2 2 347.459 1.342 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)C1 ZINC000905401807 592521919 /nfs/dbraw/zinc/52/19/19/592521919.db2.gz ZJKBSUGVAIELNS-HOTGVXAUSA-N 2 2 347.459 1.342 20 0 EDADLP CC(C)CC[C@H](O)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905445987 592528013 /nfs/dbraw/zinc/52/80/13/592528013.db2.gz ALRWDUFFWRYXTR-MSOLQXFVSA-N 2 2 327.513 1.170 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CN1CC1CC1 ZINC000905453809 592540174 /nfs/dbraw/zinc/54/01/74/592540174.db2.gz XLNNBVDYDXNFFB-RBUKOAKNSA-N 2 2 343.471 1.006 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CN1CC1CC1 ZINC000905453809 592540177 /nfs/dbraw/zinc/54/01/77/592540177.db2.gz XLNNBVDYDXNFFB-RBUKOAKNSA-N 2 2 343.471 1.006 20 0 EDADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC12CCCCC2 ZINC000908572857 592543960 /nfs/dbraw/zinc/54/39/60/592543960.db2.gz DWQXADMLTAKNIH-UHFFFAOYSA-N 2 2 340.431 1.753 20 0 EDADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC12CCCCC2 ZINC000908572857 592543961 /nfs/dbraw/zinc/54/39/61/592543961.db2.gz DWQXADMLTAKNIH-UHFFFAOYSA-N 2 2 340.431 1.753 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CC[NH+](C)CC3(C)C)co2)C1 ZINC000907182630 592549231 /nfs/dbraw/zinc/54/92/31/592549231.db2.gz HBTMKLHYKISIKJ-ZDUSSCGKSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CC[NH+](C)CC3(C)C)co2)C1 ZINC000907182630 592549232 /nfs/dbraw/zinc/54/92/32/592549232.db2.gz HBTMKLHYKISIKJ-ZDUSSCGKSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3CC[N@H+](C)CC3(C)C)co2)C1 ZINC000907182630 592549234 /nfs/dbraw/zinc/54/92/34/592549234.db2.gz HBTMKLHYKISIKJ-ZDUSSCGKSA-N 2 2 336.436 1.062 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3CC[N@@H+](C)CC3(C)C)co2)C1 ZINC000907182630 592549236 /nfs/dbraw/zinc/54/92/36/592549236.db2.gz HBTMKLHYKISIKJ-ZDUSSCGKSA-N 2 2 336.436 1.062 20 0 EDADLP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1cccnc1 ZINC000905548838 592572155 /nfs/dbraw/zinc/57/21/55/592572155.db2.gz BXUXLOZSPUHUNS-ZWKOTPCHSA-N 2 2 335.492 1.968 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)C2(O)CCC2)CCOCC1 ZINC000905576599 592578382 /nfs/dbraw/zinc/57/83/82/592578382.db2.gz OFXCFMGXWGFYHI-SFHVURJKSA-N 2 2 348.487 1.533 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)C2(O)CCC2)CCOCC1 ZINC000905576599 592578385 /nfs/dbraw/zinc/57/83/85/592578385.db2.gz OFXCFMGXWGFYHI-SFHVURJKSA-N 2 2 348.487 1.533 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905619843 592587550 /nfs/dbraw/zinc/58/75/50/592587550.db2.gz AUSNSJPREDYRNQ-MOPGFXCFSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000905619843 592587552 /nfs/dbraw/zinc/58/75/52/592587552.db2.gz AUSNSJPREDYRNQ-MOPGFXCFSA-N 2 2 348.487 1.886 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)COCc1ccccc1 ZINC000905617806 592595501 /nfs/dbraw/zinc/59/55/01/592595501.db2.gz FEBOZNWJRBRERY-RBUKOAKNSA-N 2 2 334.460 1.407 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)COCc1ccccc1 ZINC000905617806 592595503 /nfs/dbraw/zinc/59/55/03/592595503.db2.gz FEBOZNWJRBRERY-RBUKOAKNSA-N 2 2 334.460 1.407 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906238457 592768608 /nfs/dbraw/zinc/76/86/08/592768608.db2.gz DVLZXSJDGAPICS-SJORKVTESA-N 2 2 346.475 1.177 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906238457 592768611 /nfs/dbraw/zinc/76/86/11/592768611.db2.gz DVLZXSJDGAPICS-SJORKVTESA-N 2 2 346.475 1.177 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC000906262409 592776748 /nfs/dbraw/zinc/77/67/48/592776748.db2.gz DNNCPOMSNHBXOT-OAHLLOKOSA-N 2 2 326.408 1.343 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC000906262409 592776750 /nfs/dbraw/zinc/77/67/50/592776750.db2.gz DNNCPOMSNHBXOT-OAHLLOKOSA-N 2 2 326.408 1.343 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906267587 592779190 /nfs/dbraw/zinc/77/91/90/592779190.db2.gz XPZORDYDUSPSEX-UHFFFAOYSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906267587 592779192 /nfs/dbraw/zinc/77/91/92/592779192.db2.gz XPZORDYDUSPSEX-UHFFFAOYSA-N 2 2 328.420 1.008 20 0 EDADLP C[C@H]([NH2+]Cc1cn(Cc2ncon2)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000906293255 592782889 /nfs/dbraw/zinc/78/28/89/592782889.db2.gz NDBYBXSBLRGAGU-KBPBESRZSA-N 2 2 345.451 1.452 20 0 EDADLP C[C@H]([NH2+]Cc1cn(Cc2ncon2)nn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000906293255 592782891 /nfs/dbraw/zinc/78/28/91/592782891.db2.gz NDBYBXSBLRGAGU-KBPBESRZSA-N 2 2 345.451 1.452 20 0 EDADLP CCC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911204815 592953979 /nfs/dbraw/zinc/95/39/79/592953979.db2.gz HTTIRMQTFCXPNB-ZBFHGGJFSA-N 2 2 338.496 1.001 20 0 EDADLP C/C(=C/C(=O)NCCc1cn2c(cccc2C)[nH+]1)C[NH+]1CCOCC1 ZINC000911610318 592959778 /nfs/dbraw/zinc/95/97/78/592959778.db2.gz VPUZCCYDOAUQRV-QINSGFPZSA-N 2 2 342.443 1.580 20 0 EDADLP CC[C@H](C(=O)NC[C@H]([NH3+])c1ccccc1OC)[N@@H+]1CCO[C@H](CC)C1 ZINC000911664748 592973293 /nfs/dbraw/zinc/97/32/93/592973293.db2.gz MVRJTOFOIYTAQO-HYVNUMGLSA-N 2 2 349.475 1.701 20 0 EDADLP CC[C@H](C(=O)NC[C@H]([NH3+])c1ccccc1OC)[N@H+]1CCO[C@H](CC)C1 ZINC000911664748 592973294 /nfs/dbraw/zinc/97/32/94/592973294.db2.gz MVRJTOFOIYTAQO-HYVNUMGLSA-N 2 2 349.475 1.701 20 0 EDADLP COCCNc1nn(C[NH+]2CCC(C[NH+](C)C)CC2)c(=S)s1 ZINC000738076492 593079359 /nfs/dbraw/zinc/07/93/59/593079359.db2.gz MGBSXEQGMCQMFQ-UHFFFAOYSA-N 2 2 345.538 1.963 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+]CC[NH3+])cc1Cl ZINC000912311012 593085972 /nfs/dbraw/zinc/08/59/72/593085972.db2.gz BNDOZEZVOJEPEO-UHFFFAOYSA-N 2 2 326.828 1.309 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)[C@H]4CCCCCN4C3=O)C2)CC1 ZINC000761297080 593415017 /nfs/dbraw/zinc/41/50/17/593415017.db2.gz AGMMXTFPSPYLPA-JKSUJKDBSA-N 2 2 334.464 1.362 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)[C@H]4CCCCCN4C3=O)C2)CC1 ZINC000761297080 593415018 /nfs/dbraw/zinc/41/50/18/593415018.db2.gz AGMMXTFPSPYLPA-JKSUJKDBSA-N 2 2 334.464 1.362 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C(C)(C)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000811759718 593479506 /nfs/dbraw/zinc/47/95/06/593479506.db2.gz RIMFZSUBKFVHPC-TWMKSMIVSA-N 2 2 335.492 1.776 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C(C)(C)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000811759718 593479507 /nfs/dbraw/zinc/47/95/07/593479507.db2.gz RIMFZSUBKFVHPC-TWMKSMIVSA-N 2 2 335.492 1.776 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)C(C)(C)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000811759718 593479508 /nfs/dbraw/zinc/47/95/08/593479508.db2.gz RIMFZSUBKFVHPC-TWMKSMIVSA-N 2 2 335.492 1.776 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)C(C)(C)[C@@H]3[C@H]3CCCO3)CC[C@@H]21 ZINC000811759718 593479509 /nfs/dbraw/zinc/47/95/09/593479509.db2.gz RIMFZSUBKFVHPC-TWMKSMIVSA-N 2 2 335.492 1.776 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)C1 ZINC000811790481 593482267 /nfs/dbraw/zinc/48/22/67/593482267.db2.gz BPVIIDXZHCFLGJ-QGPMSJSTSA-N 2 2 344.459 1.727 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)C1 ZINC000811790481 593482268 /nfs/dbraw/zinc/48/22/68/593482268.db2.gz BPVIIDXZHCFLGJ-QGPMSJSTSA-N 2 2 344.459 1.727 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817945992 593651126 /nfs/dbraw/zinc/65/11/26/593651126.db2.gz PLTSUBUZRUVZNN-VIFPVBQESA-N 2 2 345.216 1.066 20 0 EDADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CCSC1 ZINC000819131821 593740631 /nfs/dbraw/zinc/74/06/31/593740631.db2.gz PYGHYGALZJEUTG-XJKSGUPXSA-N 2 2 347.525 1.289 20 0 EDADLP CC[C@](O)(CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000840378986 593750083 /nfs/dbraw/zinc/75/00/83/593750083.db2.gz JFBDDPUYHHCFID-FQEVSTJZSA-N 2 2 347.503 1.817 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)S1 ZINC000820282989 593806044 /nfs/dbraw/zinc/80/60/44/593806044.db2.gz HSIMUNBBPKOUGW-CQSZACIVSA-N 2 2 336.505 1.498 20 0 EDADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000823705815 593838851 /nfs/dbraw/zinc/83/88/51/593838851.db2.gz HLPPQCQHCDFNQF-GJZGRUSLSA-N 2 2 346.435 1.317 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc3cccnc3c2)CC1 ZINC000820608553 593844059 /nfs/dbraw/zinc/84/40/59/593844059.db2.gz KRPUSTJURSEOKE-UHFFFAOYSA-N 2 2 340.471 1.920 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)o1 ZINC000820850225 593905161 /nfs/dbraw/zinc/90/51/61/593905161.db2.gz SAUSALFVGNJGLT-HNNXBMFYSA-N 2 2 334.464 1.927 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)o1 ZINC000820850225 593905162 /nfs/dbraw/zinc/90/51/62/593905162.db2.gz SAUSALFVGNJGLT-HNNXBMFYSA-N 2 2 334.464 1.927 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)CC[NH2+]C(C)(C)C)ccc2n1C(CO)CO ZINC000821916114 593965133 /nfs/dbraw/zinc/96/51/33/593965133.db2.gz GQQBGTVZJSZIBW-UHFFFAOYSA-N 2 2 348.447 1.587 20 0 EDADLP C[NH+]1CCC(OCC(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000824818809 594079745 /nfs/dbraw/zinc/07/97/45/594079745.db2.gz ICNVBSWZTHVXDY-UHFFFAOYSA-N 2 2 332.448 1.409 20 0 EDADLP C[N@H+](CCO)Cc1cc(NC(=O)C[NH+]2CCCC2)ccc1Cl ZINC000822653165 594079808 /nfs/dbraw/zinc/07/98/08/594079808.db2.gz PYQCPWFIOSQRNR-UHFFFAOYSA-N 2 2 325.840 1.798 20 0 EDADLP C[N@@H+](CCO)Cc1cc(NC(=O)C[NH+]2CCCC2)ccc1Cl ZINC000822653165 594079810 /nfs/dbraw/zinc/07/98/10/594079810.db2.gz PYQCPWFIOSQRNR-UHFFFAOYSA-N 2 2 325.840 1.798 20 0 EDADLP COC[C@@]1(c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)CC[NH2+]C1 ZINC000822780134 594099448 /nfs/dbraw/zinc/09/94/48/594099448.db2.gz CXYDGIFBTQZXDS-QGZVFWFLSA-N 2 2 327.388 1.494 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1ccc(F)c(F)c1 ZINC000824956805 594105212 /nfs/dbraw/zinc/10/52/12/594105212.db2.gz JSEAINGOCSZNES-UHFFFAOYSA-N 2 2 329.391 1.343 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1ccc(F)c(F)c1 ZINC000824956805 594105213 /nfs/dbraw/zinc/10/52/13/594105213.db2.gz JSEAINGOCSZNES-UHFFFAOYSA-N 2 2 329.391 1.343 20 0 EDADLP CC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825114171 594131933 /nfs/dbraw/zinc/13/19/33/594131933.db2.gz KOKQCUIDUAIMQH-MRXNPFEDSA-N 2 2 344.463 1.582 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)Cc3ccc[nH+]c3N2C1 ZINC000825258014 594156970 /nfs/dbraw/zinc/15/69/70/594156970.db2.gz IBFFHNIJEPILBX-CVEARBPZSA-N 2 2 344.459 1.359 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)ncc3F)cn2)CC1 ZINC000823637490 594223735 /nfs/dbraw/zinc/22/37/35/594223735.db2.gz LXAZNLCNMLESFT-UHFFFAOYSA-N 2 2 333.386 1.796 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(Cl)n1 ZINC000827531582 594225881 /nfs/dbraw/zinc/22/58/81/594225881.db2.gz CIFZPHZJAMNAEA-UHFFFAOYSA-N 2 2 330.885 1.895 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(Cl)n1 ZINC000827531582 594225882 /nfs/dbraw/zinc/22/58/82/594225882.db2.gz CIFZPHZJAMNAEA-UHFFFAOYSA-N 2 2 330.885 1.895 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000827666805 594254452 /nfs/dbraw/zinc/25/44/52/594254452.db2.gz YVXORBYNATWRQG-SJORKVTESA-N 2 2 325.497 1.726 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2oc1=O ZINC000827700431 594260250 /nfs/dbraw/zinc/26/02/50/594260250.db2.gz STRDAUFJTPIYPG-HNNXBMFYSA-N 2 2 331.416 1.163 20 0 EDADLP Cn1c2ccc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)cc2oc1=O ZINC000827700431 594260251 /nfs/dbraw/zinc/26/02/51/594260251.db2.gz STRDAUFJTPIYPG-HNNXBMFYSA-N 2 2 331.416 1.163 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000827935553 594306406 /nfs/dbraw/zinc/30/64/06/594306406.db2.gz QBUFYUBUHVEYFY-SFHVURJKSA-N 2 2 331.460 1.909 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000827935553 594306409 /nfs/dbraw/zinc/30/64/09/594306409.db2.gz QBUFYUBUHVEYFY-SFHVURJKSA-N 2 2 331.460 1.909 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3(F)CC[NH2+]C3)CC2)s1 ZINC000830109364 594338884 /nfs/dbraw/zinc/33/88/84/594338884.db2.gz QNDBDNAYENWUIF-MRXNPFEDSA-N 2 2 325.453 1.656 20 0 EDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000826169527 594360342 /nfs/dbraw/zinc/36/03/42/594360342.db2.gz WAESAWLSYRTVGC-UHFFFAOYSA-N 2 2 339.403 1.909 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]1 ZINC000826275944 594408127 /nfs/dbraw/zinc/40/81/27/594408127.db2.gz PCVCRZSKHLWDOJ-CYBMUJFWSA-N 2 2 343.435 1.483 20 0 EDADLP OCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826509893 594510203 /nfs/dbraw/zinc/51/02/03/594510203.db2.gz OZKWYRWMXGEINB-KRWDZBQOSA-N 2 2 342.447 1.290 20 0 EDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCN2CCC2)CC1 ZINC000826514586 594512799 /nfs/dbraw/zinc/51/27/99/594512799.db2.gz WDNFULYNUKNYMR-UHFFFAOYSA-N 2 2 341.463 1.126 20 0 EDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC000826514586 594512801 /nfs/dbraw/zinc/51/28/01/594512801.db2.gz WDNFULYNUKNYMR-UHFFFAOYSA-N 2 2 341.463 1.126 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831173634 594574693 /nfs/dbraw/zinc/57/46/93/594574693.db2.gz RBLDPYPJNTWKOT-CQSZACIVSA-N 2 2 326.404 1.209 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000831211742 594581940 /nfs/dbraw/zinc/58/19/40/594581940.db2.gz JINVYYBRWUTMKU-NEPJUHHUSA-N 2 2 327.498 1.321 20 0 EDADLP O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@@]1(F)CC[NH2+]C1 ZINC000829225918 594584070 /nfs/dbraw/zinc/58/40/70/594584070.db2.gz JNPCCZHQMLBUHB-YVEFUNNKSA-N 2 2 341.377 1.747 20 0 EDADLP O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@@]1(F)CC[NH2+]C1 ZINC000829225918 594584072 /nfs/dbraw/zinc/58/40/72/594584072.db2.gz JNPCCZHQMLBUHB-YVEFUNNKSA-N 2 2 341.377 1.747 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C[C@@H]1C ZINC000827137750 594646730 /nfs/dbraw/zinc/64/67/30/594646730.db2.gz POTMXZXURXAVSD-APIJFGDWSA-N 2 2 335.452 1.640 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)C[C@@H]1C ZINC000827137750 594646731 /nfs/dbraw/zinc/64/67/31/594646731.db2.gz POTMXZXURXAVSD-APIJFGDWSA-N 2 2 335.452 1.640 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831819250 594705073 /nfs/dbraw/zinc/70/50/73/594705073.db2.gz ZQAKOLZYCARZHH-HNNXBMFYSA-N 2 2 341.496 1.822 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831819250 594705074 /nfs/dbraw/zinc/70/50/74/594705074.db2.gz ZQAKOLZYCARZHH-HNNXBMFYSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)N(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1F ZINC000841054031 594845422 /nfs/dbraw/zinc/84/54/22/594845422.db2.gz QQJZFGPAXGGOAY-CQSZACIVSA-N 2 2 337.443 1.777 20 0 EDADLP CC(C)N(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1F ZINC000841054031 594845423 /nfs/dbraw/zinc/84/54/23/594845423.db2.gz QQJZFGPAXGGOAY-CQSZACIVSA-N 2 2 337.443 1.777 20 0 EDADLP Cc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000841676513 594934785 /nfs/dbraw/zinc/93/47/85/594934785.db2.gz WCJNMUFMGBADTA-ZIAGYGMSSA-N 2 2 335.452 1.375 20 0 EDADLP Cc1ccc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000841676513 594934786 /nfs/dbraw/zinc/93/47/86/594934786.db2.gz WCJNMUFMGBADTA-ZIAGYGMSSA-N 2 2 335.452 1.375 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)[N@H+]1C ZINC000836209509 594938756 /nfs/dbraw/zinc/93/87/56/594938756.db2.gz BOHNCENTRHJNQY-OKILXGFUSA-N 2 2 328.420 1.501 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[C@H](C)[N@@H+]1C ZINC000836209509 594938759 /nfs/dbraw/zinc/93/87/59/594938759.db2.gz BOHNCENTRHJNQY-OKILXGFUSA-N 2 2 328.420 1.501 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000841764756 594948772 /nfs/dbraw/zinc/94/87/72/594948772.db2.gz IAOIZMAUOULMIF-SOUVJXGZSA-N 2 2 332.448 1.976 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)S1 ZINC000842011892 595002253 /nfs/dbraw/zinc/00/22/53/595002253.db2.gz XIRXPSDAMHXLMN-STQMWFEESA-N 2 2 339.509 1.322 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000867200224 595016916 /nfs/dbraw/zinc/01/69/16/595016916.db2.gz IGQCUXQTLWHEGQ-OWOJBTEDSA-N 2 2 344.459 1.303 20 0 EDADLP CC[NH+]1CCN(c2ccc(-c3noc(C[NH2+]C4CC4)n3)cn2)CC1 ZINC000843208307 595035323 /nfs/dbraw/zinc/03/53/23/595035323.db2.gz SUCWKYTTYIZUKH-UHFFFAOYSA-N 2 2 328.420 1.526 20 0 EDADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000842206597 595038626 /nfs/dbraw/zinc/03/86/26/595038626.db2.gz GEFHZHHDFZCXFZ-ZBEGNZNMSA-N 2 2 332.404 1.427 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000843375875 595093585 /nfs/dbraw/zinc/09/35/85/595093585.db2.gz NHVWXKYLQLPAKK-HNNXBMFYSA-N 2 2 346.475 1.663 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000837488514 595123212 /nfs/dbraw/zinc/12/32/12/595123212.db2.gz BBYCTDDMZWDWLC-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000837488514 595123216 /nfs/dbraw/zinc/12/32/16/595123216.db2.gz BBYCTDDMZWDWLC-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846218522 595176886 /nfs/dbraw/zinc/17/68/86/595176886.db2.gz WMYNOPXDMAGAEQ-UHFFFAOYSA-N 2 2 344.481 1.117 20 0 EDADLP Cc1nn(C)c2nc(Cl)c(C[N@H+](C)CCN3CC[NH2+]CC3)cc12 ZINC000843052456 595275102 /nfs/dbraw/zinc/27/51/02/595275102.db2.gz LIRNBZJEJQWZFX-UHFFFAOYSA-N 2 2 336.871 1.267 20 0 EDADLP Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)CCN3CC[NH2+]CC3)cc12 ZINC000843052456 595275104 /nfs/dbraw/zinc/27/51/04/595275104.db2.gz LIRNBZJEJQWZFX-UHFFFAOYSA-N 2 2 336.871 1.267 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000843085997 595283657 /nfs/dbraw/zinc/28/36/57/595283657.db2.gz FFWLECNYIZXXAS-XJKSGUPXSA-N 2 2 330.831 1.949 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000843085997 595283658 /nfs/dbraw/zinc/28/36/58/595283658.db2.gz FFWLECNYIZXXAS-XJKSGUPXSA-N 2 2 330.831 1.949 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000843092466 595285920 /nfs/dbraw/zinc/28/59/20/595285920.db2.gz KCFLVBXCRASXGI-GOSISDBHSA-N 2 2 348.491 1.518 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000843092466 595285923 /nfs/dbraw/zinc/28/59/23/595285923.db2.gz KCFLVBXCRASXGI-GOSISDBHSA-N 2 2 348.491 1.518 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000844163350 595287849 /nfs/dbraw/zinc/28/78/49/595287849.db2.gz ARTQHDBAEDXOGU-UHFFFAOYSA-N 2 2 342.399 1.821 20 0 EDADLP O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000844169442 595289925 /nfs/dbraw/zinc/28/99/25/595289925.db2.gz DEZOHPYCGLBWQS-INIZCTEOSA-N 2 2 332.448 1.457 20 0 EDADLP Cc1cccn2cc(Cc3noc(C[C@H]4CSCC[NH2+]4)n3)[nH+]c12 ZINC000843184573 595300814 /nfs/dbraw/zinc/30/08/14/595300814.db2.gz YNDWFQWJRWFVDR-ZDUSSCGKSA-N 2 2 329.429 1.864 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000846837163 595324218 /nfs/dbraw/zinc/32/42/18/595324218.db2.gz XJNGDGMZNMHEJI-ZBFHGGJFSA-N 2 2 349.456 1.347 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000846837163 595324220 /nfs/dbraw/zinc/32/42/20/595324220.db2.gz XJNGDGMZNMHEJI-ZBFHGGJFSA-N 2 2 349.456 1.347 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327355 595325167 /nfs/dbraw/zinc/32/51/67/595325167.db2.gz QCJMSGXOLIXNCY-DZGCQCFKSA-N 2 2 335.473 1.615 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327355 595325169 /nfs/dbraw/zinc/32/51/69/595325169.db2.gz QCJMSGXOLIXNCY-DZGCQCFKSA-N 2 2 335.473 1.615 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327355 595325172 /nfs/dbraw/zinc/32/51/72/595325172.db2.gz QCJMSGXOLIXNCY-DZGCQCFKSA-N 2 2 335.473 1.615 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327355 595325175 /nfs/dbraw/zinc/32/51/75/595325175.db2.gz QCJMSGXOLIXNCY-DZGCQCFKSA-N 2 2 335.473 1.615 20 0 EDADLP CC(=O)Oc1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000844336480 595327849 /nfs/dbraw/zinc/32/78/49/595327849.db2.gz VRPHHUYMHIJSPM-UHFFFAOYSA-N 2 2 332.444 1.938 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C[C@H](C(=O)OC(C)(C)C)CC2=O)C1 ZINC000844698849 595377220 /nfs/dbraw/zinc/37/72/20/595377220.db2.gz QNKJCLFRIPVFBN-UONOGXRCSA-N 2 2 348.447 1.357 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C[C@H](C(=O)OC(C)(C)C)CC2=O)C1 ZINC000844698849 595377221 /nfs/dbraw/zinc/37/72/21/595377221.db2.gz QNKJCLFRIPVFBN-UONOGXRCSA-N 2 2 348.447 1.357 20 0 EDADLP C/C(=C\c1cccnc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485528 595431490 /nfs/dbraw/zinc/43/14/90/595431490.db2.gz FWJBDJWBRDXIIR-OKACTXMXSA-N 2 2 328.460 1.770 20 0 EDADLP C/C(=C\c1cccnc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485528 595431493 /nfs/dbraw/zinc/43/14/93/595431493.db2.gz FWJBDJWBRDXIIR-OKACTXMXSA-N 2 2 328.460 1.770 20 0 EDADLP C/C(=C\c1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485503 595431631 /nfs/dbraw/zinc/43/16/31/595431631.db2.gz FRHBABGPCFTTGL-VOGRQWBCSA-N 2 2 328.460 1.770 20 0 EDADLP C/C(=C\c1ccccn1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485503 595431633 /nfs/dbraw/zinc/43/16/33/595431633.db2.gz FRHBABGPCFTTGL-VOGRQWBCSA-N 2 2 328.460 1.770 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000848894391 595464434 /nfs/dbraw/zinc/46/44/34/595464434.db2.gz DVKZXPPWNUFDQL-WBTMPAOCSA-N 2 2 349.431 1.143 20 0 EDADLP COC(=O)/C=C\c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000848894391 595464435 /nfs/dbraw/zinc/46/44/35/595464435.db2.gz DVKZXPPWNUFDQL-WBTMPAOCSA-N 2 2 349.431 1.143 20 0 EDADLP C[C@@H](Cc1ccccc1)NC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849280199 595500214 /nfs/dbraw/zinc/50/02/14/595500214.db2.gz QJBCMYNKLVPGER-INIZCTEOSA-N 2 2 336.549 1.965 20 0 EDADLP C[C@@H](Cc1ccccc1)NC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849280199 595500217 /nfs/dbraw/zinc/50/02/17/595500217.db2.gz QJBCMYNKLVPGER-INIZCTEOSA-N 2 2 336.549 1.965 20 0 EDADLP CCN1C[C@@H](C[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)OC1=O ZINC000860030152 595549440 /nfs/dbraw/zinc/54/94/40/595549440.db2.gz KCVWWMKZVGIWNM-OAHLLOKOSA-N 2 2 325.453 1.404 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849562260 595569007 /nfs/dbraw/zinc/56/90/07/595569007.db2.gz DHVDVHHVQLMPCK-DLBZAZTESA-N 2 2 344.463 1.201 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849562260 595569011 /nfs/dbraw/zinc/56/90/11/595569011.db2.gz DHVDVHHVQLMPCK-DLBZAZTESA-N 2 2 344.463 1.201 20 0 EDADLP Fc1cc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000858117175 595702909 /nfs/dbraw/zinc/70/29/09/595702909.db2.gz CNGVHUNFYUEJPR-UHFFFAOYSA-N 3 2 329.423 1.918 20 0 EDADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)n1-c1ccon1 ZINC000855417843 595706452 /nfs/dbraw/zinc/70/64/52/595706452.db2.gz PYYMWBNNOTYETE-UHFFFAOYSA-N 2 2 347.463 1.695 20 0 EDADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)n1-c1ccon1 ZINC000855417843 595706457 /nfs/dbraw/zinc/70/64/57/595706457.db2.gz PYYMWBNNOTYETE-UHFFFAOYSA-N 2 2 347.463 1.695 20 0 EDADLP CN(C)c1c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc(F)c1F ZINC000858126724 595706985 /nfs/dbraw/zinc/70/69/85/595706985.db2.gz HNTYYDRDLLTCDZ-UONOGXRCSA-N 2 2 325.403 1.984 20 0 EDADLP CN(C)c1c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc(F)c1F ZINC000858126724 595706987 /nfs/dbraw/zinc/70/69/87/595706987.db2.gz HNTYYDRDLLTCDZ-UONOGXRCSA-N 2 2 325.403 1.984 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCCCC1 ZINC000853465158 595758401 /nfs/dbraw/zinc/75/84/01/595758401.db2.gz CMVDIEBBJFTHFU-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nc(C)oc1=O ZINC000853499001 595770212 /nfs/dbraw/zinc/77/02/12/595770212.db2.gz HAKSZGOUXYEMIH-UHFFFAOYSA-N 2 2 331.420 1.736 20 0 EDADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1nc(C)oc1=O ZINC000853499001 595770215 /nfs/dbraw/zinc/77/02/15/595770215.db2.gz HAKSZGOUXYEMIH-UHFFFAOYSA-N 2 2 331.420 1.736 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)C1 ZINC000858402901 595786156 /nfs/dbraw/zinc/78/61/56/595786156.db2.gz NODMYIKQNVBQJX-CVEARBPZSA-N 2 2 346.475 1.391 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2[nH+]1 ZINC000850391565 595825569 /nfs/dbraw/zinc/82/55/69/595825569.db2.gz VBWPTRBGYCDDPH-HIFRSBDPSA-N 2 2 343.431 1.570 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OC[C@H](OC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC000860892341 595830347 /nfs/dbraw/zinc/83/03/47/595830347.db2.gz YUWQCDOASMBKOO-HNNXBMFYSA-N 2 2 346.387 1.262 20 0 EDADLP CC(C)CCO[C@@H]1CC[N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000853635518 595842106 /nfs/dbraw/zinc/84/21/06/595842106.db2.gz BXQFTANAJAFNLI-HZPDHXFCSA-N 2 2 334.464 1.831 20 0 EDADLP CC(C)CCO[C@@H]1CC[N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000853635518 595842109 /nfs/dbraw/zinc/84/21/09/595842109.db2.gz BXQFTANAJAFNLI-HZPDHXFCSA-N 2 2 334.464 1.831 20 0 EDADLP NC(=[NH+]OCCC1(O)CCC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000853664625 595850286 /nfs/dbraw/zinc/85/02/86/595850286.db2.gz SASBMUVYYJMMES-UHFFFAOYSA-N 2 2 347.459 1.795 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1Cc2ccccc2C1 ZINC000853756266 595872478 /nfs/dbraw/zinc/87/24/78/595872478.db2.gz GBGPAZWEDNEGBD-UHFFFAOYSA-N 2 2 332.492 1.584 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1Cc2ccccc2C1 ZINC000853756266 595872483 /nfs/dbraw/zinc/87/24/83/595872483.db2.gz GBGPAZWEDNEGBD-UHFFFAOYSA-N 2 2 332.492 1.584 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000851997959 596001395 /nfs/dbraw/zinc/00/13/95/596001395.db2.gz CQXIFMNOJIXAPA-UHFFFAOYSA-N 2 2 328.420 1.279 20 0 EDADLP COC(=O)c1nc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1Cl ZINC000854220908 596006620 /nfs/dbraw/zinc/00/66/20/596006620.db2.gz BWUCIQXGWVYKPI-KGLIPLIRSA-N 2 2 339.823 1.378 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000861615596 596047219 /nfs/dbraw/zinc/04/72/19/596047219.db2.gz RNJYTYFKGIWZCN-NZVBXONLSA-N 2 2 326.391 1.699 20 0 EDADLP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000861615596 596047221 /nfs/dbraw/zinc/04/72/21/596047221.db2.gz RNJYTYFKGIWZCN-NZVBXONLSA-N 2 2 326.391 1.699 20 0 EDADLP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000854410561 596066839 /nfs/dbraw/zinc/06/68/39/596066839.db2.gz AROOQLJAAPMTGP-MRXNPFEDSA-N 2 2 349.479 1.664 20 0 EDADLP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000854410561 596066843 /nfs/dbraw/zinc/06/68/43/596066843.db2.gz AROOQLJAAPMTGP-MRXNPFEDSA-N 2 2 349.479 1.664 20 0 EDADLP CCc1ccc([C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000864612520 596282391 /nfs/dbraw/zinc/28/23/91/596282391.db2.gz QKAVHKQLTLREDI-SFFCAUCYSA-N 2 2 345.487 1.856 20 0 EDADLP NC(=O)c1ccc(CC[N@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1 ZINC000866666709 596284938 /nfs/dbraw/zinc/28/49/38/596284938.db2.gz VHDXBJGZJKTPAM-FUHWJXTLSA-N 2 2 327.403 1.894 20 0 EDADLP NC(=O)c1ccc(CC[N@@H+]2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1 ZINC000866666709 596284940 /nfs/dbraw/zinc/28/49/40/596284940.db2.gz VHDXBJGZJKTPAM-FUHWJXTLSA-N 2 2 327.403 1.894 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000866709309 596303057 /nfs/dbraw/zinc/30/30/57/596303057.db2.gz WAVCEURPUALDHD-KRWDZBQOSA-N 2 2 336.484 1.297 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2nnnn2CC2CCOCC2)C1 ZINC000866709309 596303060 /nfs/dbraw/zinc/30/30/60/596303060.db2.gz WAVCEURPUALDHD-KRWDZBQOSA-N 2 2 336.484 1.297 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CC(F)F)C3)CC[C@@H]21 ZINC000866708206 596303411 /nfs/dbraw/zinc/30/34/11/596303411.db2.gz DEDWWSXLSHTEFI-KFWWJZLASA-N 2 2 329.435 1.906 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CC(F)F)C3)CC[C@@H]21 ZINC000866708206 596303414 /nfs/dbraw/zinc/30/34/14/596303414.db2.gz DEDWWSXLSHTEFI-KFWWJZLASA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CC(F)F)C3)CC[C@@H]21 ZINC000866708206 596303416 /nfs/dbraw/zinc/30/34/16/596303416.db2.gz DEDWWSXLSHTEFI-KFWWJZLASA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CC(F)F)C3)CC[C@@H]21 ZINC000866708206 596303419 /nfs/dbraw/zinc/30/34/19/596303419.db2.gz DEDWWSXLSHTEFI-KFWWJZLASA-N 2 2 329.435 1.906 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3ccccc3CO)c2)CC1 ZINC000870666278 596314746 /nfs/dbraw/zinc/31/47/46/596314746.db2.gz BQXUWDNJWQNEND-UHFFFAOYSA-N 2 2 340.427 1.507 20 0 EDADLP Cn1cc(/C=C\C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC000870667230 596315580 /nfs/dbraw/zinc/31/55/80/596315580.db2.gz HBSBPWQFJAHIBH-ARJAWSKDSA-N 2 2 326.404 1.219 20 0 EDADLP [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000870861497 596380722 /nfs/dbraw/zinc/38/07/22/596380722.db2.gz ZQPAGRVFAOPEHB-KSZLIROESA-N 2 2 331.460 1.694 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(N)ccc3Cl)C2)CC1 ZINC000870884631 596389823 /nfs/dbraw/zinc/38/98/23/596389823.db2.gz DAGOFDYIUCQNOJ-CYBMUJFWSA-N 2 2 336.867 1.821 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(N)ccc3Cl)C2)CC1 ZINC000870884631 596389827 /nfs/dbraw/zinc/38/98/27/596389827.db2.gz DAGOFDYIUCQNOJ-CYBMUJFWSA-N 2 2 336.867 1.821 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870913953 596401377 /nfs/dbraw/zinc/40/13/77/596401377.db2.gz GYZYXMANJFJAEO-CYBMUJFWSA-N 2 2 326.238 1.613 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)[C@H](Cc2ccccc2)C1 ZINC000869149402 596425008 /nfs/dbraw/zinc/42/50/08/596425008.db2.gz OMIRQTKJYJMSLV-MTCRFPMVSA-N 2 2 343.471 1.260 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)[C@H](Cc2ccccc2)C1 ZINC000869149402 596425010 /nfs/dbraw/zinc/42/50/10/596425010.db2.gz OMIRQTKJYJMSLV-MTCRFPMVSA-N 2 2 343.471 1.260 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C[NH2+]CC3CC3)C2)c1 ZINC000870977689 596425067 /nfs/dbraw/zinc/42/50/67/596425067.db2.gz KKFUYZCPFOIWRR-GOSISDBHSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C[NH2+]CC3CC3)C2)c1 ZINC000870977689 596425069 /nfs/dbraw/zinc/42/50/69/596425069.db2.gz KKFUYZCPFOIWRR-GOSISDBHSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000871280662 596520714 /nfs/dbraw/zinc/52/07/14/596520714.db2.gz IUPPMBGHMUOAHM-SFHVURJKSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000871280662 596520716 /nfs/dbraw/zinc/52/07/16/596520716.db2.gz IUPPMBGHMUOAHM-SFHVURJKSA-N 2 2 342.443 1.517 20 0 EDADLP O[C@@]1(C[NH2+]Cc2cn(C3CC3)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000865472942 596585243 /nfs/dbraw/zinc/58/52/43/596585243.db2.gz HFJWCMOTRJZABM-LJQANCHMSA-N 2 2 326.444 1.945 20 0 EDADLP O[C@@]1(C[NH2+]Cc2cn(C3CC3)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000865472942 596585244 /nfs/dbraw/zinc/58/52/44/596585244.db2.gz HFJWCMOTRJZABM-LJQANCHMSA-N 2 2 326.444 1.945 20 0 EDADLP C[C@@](CO)([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000865488372 596589560 /nfs/dbraw/zinc/58/95/60/596589560.db2.gz UOKDZNXSKUVMDV-IBGZPJMESA-N 2 2 334.460 1.648 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000869765011 596622634 /nfs/dbraw/zinc/62/26/34/596622634.db2.gz BIQPJFPGSKAZKD-UHFFFAOYSA-N 2 2 330.432 1.765 20 0 EDADLP CC(C)(C)OC(=O)NCc1cccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000865642535 596636640 /nfs/dbraw/zinc/63/66/40/596636640.db2.gz JAWAKDSDNUURMD-QGZVFWFLSA-N 2 2 349.475 1.868 20 0 EDADLP CC(C)(C)OC(=O)NCc1cccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000865642535 596636642 /nfs/dbraw/zinc/63/66/42/596636642.db2.gz JAWAKDSDNUURMD-QGZVFWFLSA-N 2 2 349.475 1.868 20 0 EDADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000865660061 596641625 /nfs/dbraw/zinc/64/16/25/596641625.db2.gz VKYNNVQVVGQHHI-INIZCTEOSA-N 2 2 339.524 1.848 20 0 EDADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000865660061 596641629 /nfs/dbraw/zinc/64/16/29/596641629.db2.gz VKYNNVQVVGQHHI-INIZCTEOSA-N 2 2 339.524 1.848 20 0 EDADLP COCCC1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC000868041712 596665927 /nfs/dbraw/zinc/66/59/27/596665927.db2.gz DGFMTUSZBFPSJJ-UHFFFAOYSA-N 2 2 328.416 1.761 20 0 EDADLP COc1cnc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000865749313 596669613 /nfs/dbraw/zinc/66/96/13/596669613.db2.gz CUWDJPQNTJQPPH-LBPRGKRZSA-N 2 2 336.411 1.128 20 0 EDADLP COc1cnc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000865749313 596669617 /nfs/dbraw/zinc/66/96/17/596669617.db2.gz CUWDJPQNTJQPPH-LBPRGKRZSA-N 2 2 336.411 1.128 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)C[N@@H+]1C1CC1 ZINC000865773353 596678157 /nfs/dbraw/zinc/67/81/57/596678157.db2.gz PCAGTMVQVKEWDX-XJKSGUPXSA-N 2 2 342.443 1.453 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)C[N@H+]1C1CC1 ZINC000865773353 596678160 /nfs/dbraw/zinc/67/81/60/596678160.db2.gz PCAGTMVQVKEWDX-XJKSGUPXSA-N 2 2 342.443 1.453 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)C[N@@H+]1C1CC1 ZINC000865773352 596678199 /nfs/dbraw/zinc/67/81/99/596678199.db2.gz PCAGTMVQVKEWDX-CZUORRHYSA-N 2 2 342.443 1.453 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)C[N@H+]1C1CC1 ZINC000865773352 596678202 /nfs/dbraw/zinc/67/82/02/596678202.db2.gz PCAGTMVQVKEWDX-CZUORRHYSA-N 2 2 342.443 1.453 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000865887447 596711038 /nfs/dbraw/zinc/71/10/38/596711038.db2.gz QNKQGOSMFOXOTK-SQUITACLSA-N 2 2 343.471 1.656 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000865887447 596711040 /nfs/dbraw/zinc/71/10/40/596711040.db2.gz QNKQGOSMFOXOTK-SQUITACLSA-N 2 2 343.471 1.656 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870083784 596742109 /nfs/dbraw/zinc/74/21/09/596742109.db2.gz WQSGCNKTRDSQOD-GDBMZVCRSA-N 2 2 326.400 1.324 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1)C[NH+]1CCOCC1 ZINC000865994380 596751021 /nfs/dbraw/zinc/75/10/21/596751021.db2.gz LTJKYELFWYCGSC-ZIAGYGMSSA-N 2 2 333.423 1.048 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1)C[NH+]1CCOCC1 ZINC000865994380 596751023 /nfs/dbraw/zinc/75/10/23/596751023.db2.gz LTJKYELFWYCGSC-ZIAGYGMSSA-N 2 2 333.423 1.048 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@@H]4CC=CC[C@@H]4C3)C2)CC1 ZINC000868289344 596769189 /nfs/dbraw/zinc/76/91/89/596769189.db2.gz JVUAJFOCGDJYAX-IXDOHACOSA-N 2 2 332.492 1.763 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@@H]4CC=CC[C@@H]4C3)C2)CC1 ZINC000868289344 596769192 /nfs/dbraw/zinc/76/91/92/596769192.db2.gz JVUAJFOCGDJYAX-IXDOHACOSA-N 2 2 332.492 1.763 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[NH2+]2)cc1 ZINC000870144016 596770249 /nfs/dbraw/zinc/77/02/49/596770249.db2.gz AUXUSECSKZXACN-ZACQAIPSSA-N 2 2 340.427 1.705 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[NH2+]2)c1 ZINC000870151539 596775006 /nfs/dbraw/zinc/77/50/06/596775006.db2.gz DYVXNLRMWUKOKO-QGZVFWFLSA-N 2 2 328.416 1.534 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)[C@@H]2CCC[C@H]21 ZINC000872118849 596807389 /nfs/dbraw/zinc/80/73/89/596807389.db2.gz KCPNITFYFYSLOA-HUESISHMSA-N 2 2 326.506 1.805 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)[C@@H]2CCC[C@H]21 ZINC000872118849 596807392 /nfs/dbraw/zinc/80/73/92/596807392.db2.gz KCPNITFYFYSLOA-HUESISHMSA-N 2 2 326.506 1.805 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000872118850 596807691 /nfs/dbraw/zinc/80/76/91/596807691.db2.gz KCPNITFYFYSLOA-MTFTWBNISA-N 2 2 326.506 1.805 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000872118850 596807693 /nfs/dbraw/zinc/80/76/93/596807693.db2.gz KCPNITFYFYSLOA-MTFTWBNISA-N 2 2 326.506 1.805 20 0 EDADLP CC1(C)CCc2onc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)c2C1 ZINC000872144175 596808939 /nfs/dbraw/zinc/80/89/39/596808939.db2.gz WUROFJGXWWATDZ-AWEZNQCLSA-N 2 2 346.475 1.586 20 0 EDADLP CC1(C)CCc2onc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)c2C1 ZINC000872144175 596808941 /nfs/dbraw/zinc/80/89/41/596808941.db2.gz WUROFJGXWWATDZ-AWEZNQCLSA-N 2 2 346.475 1.586 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148707 596811847 /nfs/dbraw/zinc/81/18/47/596811847.db2.gz PWWFEWPTUZEDLA-MRVWCRGKSA-N 2 2 329.366 1.760 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148707 596811851 /nfs/dbraw/zinc/81/18/51/596811851.db2.gz PWWFEWPTUZEDLA-MRVWCRGKSA-N 2 2 329.366 1.760 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000872148220 596811871 /nfs/dbraw/zinc/81/18/71/596811871.db2.gz OMYQSLQDLPPJNH-GXTWGEPZSA-N 2 2 347.356 1.553 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000872148220 596811875 /nfs/dbraw/zinc/81/18/75/596811875.db2.gz OMYQSLQDLPPJNH-GXTWGEPZSA-N 2 2 347.356 1.553 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149827 596812823 /nfs/dbraw/zinc/81/28/23/596812823.db2.gz QQTCYJKNLWSCHG-UMVBOHGHSA-N 3 2 331.382 1.807 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149827 596812824 /nfs/dbraw/zinc/81/28/24/596812824.db2.gz QQTCYJKNLWSCHG-UMVBOHGHSA-N 3 2 331.382 1.807 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC2)c1 ZINC000872154462 596815175 /nfs/dbraw/zinc/81/51/75/596815175.db2.gz VIOWGXDDJWMZAE-FXAWDEMLSA-N 2 2 342.487 1.185 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC2)c1 ZINC000872154462 596815177 /nfs/dbraw/zinc/81/51/77/596815177.db2.gz VIOWGXDDJWMZAE-FXAWDEMLSA-N 2 2 342.487 1.185 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872304300 596875195 /nfs/dbraw/zinc/87/51/95/596875195.db2.gz TYONGDKPDNRKHS-QGZVFWFLSA-N 2 2 346.475 1.653 20 0 EDADLP Cc1cc(CNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc(C)[nH+]1 ZINC000875676833 596943607 /nfs/dbraw/zinc/94/36/07/596943607.db2.gz SDLGFOTWWIGVDK-UHFFFAOYSA-N 2 2 346.475 1.952 20 0 EDADLP COCC[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)SC(C)(C)C1=O ZINC000872631988 597000969 /nfs/dbraw/zinc/00/09/69/597000969.db2.gz QDSWBOOWXNUSCR-UHFFFAOYSA-N 2 2 343.493 1.708 20 0 EDADLP COCC[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)SC(C)(C)C1=O ZINC000872631988 597000974 /nfs/dbraw/zinc/00/09/74/597000974.db2.gz QDSWBOOWXNUSCR-UHFFFAOYSA-N 2 2 343.493 1.708 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CCSC1 ZINC000875939268 597042392 /nfs/dbraw/zinc/04/23/92/597042392.db2.gz PQLVDCMJJBEWDC-HNNXBMFYSA-N 2 2 342.553 1.797 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CCSC1 ZINC000875939268 597042395 /nfs/dbraw/zinc/04/23/95/597042395.db2.gz PQLVDCMJJBEWDC-HNNXBMFYSA-N 2 2 342.553 1.797 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC[NH+](C)C)C2)cc1 ZINC000876198751 597130554 /nfs/dbraw/zinc/13/05/54/597130554.db2.gz STRYXVGMYUMSJA-KRWDZBQOSA-N 2 2 334.464 1.057 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC[NH+](C)C)C2)cc1 ZINC000876198751 597130557 /nfs/dbraw/zinc/13/05/57/597130557.db2.gz STRYXVGMYUMSJA-KRWDZBQOSA-N 2 2 334.464 1.057 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000876205148 597134690 /nfs/dbraw/zinc/13/46/90/597134690.db2.gz SXHNCNIUUYWRTE-CGTJXYLNSA-N 2 2 328.460 1.909 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000876205148 597134691 /nfs/dbraw/zinc/13/46/91/597134691.db2.gz SXHNCNIUUYWRTE-CGTJXYLNSA-N 2 2 328.460 1.909 20 0 EDADLP C[NH+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3c4ccccc4C[N@H+]3C)[C@@H]2C1 ZINC000876205148 597134692 /nfs/dbraw/zinc/13/46/92/597134692.db2.gz SXHNCNIUUYWRTE-CGTJXYLNSA-N 2 2 328.460 1.909 20 0 EDADLP C[NH+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3c4ccccc4C[N@@H+]3C)[C@@H]2C1 ZINC000876205148 597134693 /nfs/dbraw/zinc/13/46/93/597134693.db2.gz SXHNCNIUUYWRTE-CGTJXYLNSA-N 2 2 328.460 1.909 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1cn2cccc(C)c2n1 ZINC000874703157 597147019 /nfs/dbraw/zinc/14/70/19/597147019.db2.gz NOUUZBGXBJYNSG-MRXNPFEDSA-N 2 2 330.432 1.412 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1cn2cccc(C)c2n1 ZINC000874703157 597147021 /nfs/dbraw/zinc/14/70/21/597147021.db2.gz NOUUZBGXBJYNSG-MRXNPFEDSA-N 2 2 330.432 1.412 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000874703157 597147023 /nfs/dbraw/zinc/14/70/23/597147023.db2.gz NOUUZBGXBJYNSG-MRXNPFEDSA-N 2 2 330.432 1.412 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000874703157 597147024 /nfs/dbraw/zinc/14/70/24/597147024.db2.gz NOUUZBGXBJYNSG-MRXNPFEDSA-N 2 2 330.432 1.412 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000874708209 597153031 /nfs/dbraw/zinc/15/30/31/597153031.db2.gz JXASUDOQPLPVFZ-WMLDXEAASA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000874708209 597153033 /nfs/dbraw/zinc/15/30/33/597153033.db2.gz JXASUDOQPLPVFZ-WMLDXEAASA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000874708209 597153034 /nfs/dbraw/zinc/15/30/34/597153034.db2.gz JXASUDOQPLPVFZ-WMLDXEAASA-N 2 2 329.460 1.426 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000874708209 597153035 /nfs/dbraw/zinc/15/30/35/597153035.db2.gz JXASUDOQPLPVFZ-WMLDXEAASA-N 2 2 329.460 1.426 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H](N)C[NH+](C)C)n2)C1 ZINC000876709576 597297435 /nfs/dbraw/zinc/29/74/35/597297435.db2.gz VDLZVCCKDVMXIP-YPMHNXCESA-N 2 2 325.482 1.202 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H](N)C[NH+](C)C)n2)C1 ZINC000876709576 597297437 /nfs/dbraw/zinc/29/74/37/597297437.db2.gz VDLZVCCKDVMXIP-YPMHNXCESA-N 2 2 325.482 1.202 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876886535 597369653 /nfs/dbraw/zinc/36/96/53/597369653.db2.gz YUKDKJVDVHWQFE-IJVDHGTGSA-N 2 2 330.432 1.721 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000875296129 597373857 /nfs/dbraw/zinc/37/38/57/597373857.db2.gz SXYDKCRAZOEWMD-RDJZCZTQSA-N 2 2 341.459 1.812 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000875296129 597373859 /nfs/dbraw/zinc/37/38/59/597373859.db2.gz SXYDKCRAZOEWMD-RDJZCZTQSA-N 2 2 341.459 1.812 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000875428588 597424400 /nfs/dbraw/zinc/42/44/00/597424400.db2.gz NAIONQMPCGFIPL-XIRDDKMYSA-N 2 2 338.496 1.269 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000873959840 597470926 /nfs/dbraw/zinc/47/09/26/597470926.db2.gz SHVNHFSYSCDLJQ-MRXNPFEDSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000873959840 597470928 /nfs/dbraw/zinc/47/09/28/597470928.db2.gz SHVNHFSYSCDLJQ-MRXNPFEDSA-N 2 2 325.416 1.900 20 0 EDADLP CC[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CCC[NH2+]1 ZINC000877249597 597479481 /nfs/dbraw/zinc/47/94/81/597479481.db2.gz YHINECFZJRLZTM-UYAOXDASSA-N 2 2 345.487 1.844 20 0 EDADLP CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CCC[NH2+]1 ZINC000877249597 597479482 /nfs/dbraw/zinc/47/94/82/597479482.db2.gz YHINECFZJRLZTM-UYAOXDASSA-N 2 2 345.487 1.844 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000877959399 597566184 /nfs/dbraw/zinc/56/61/84/597566184.db2.gz WBZRRYAKRSUORY-QZTJIDSGSA-N 2 2 331.460 1.613 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000881464192 597627096 /nfs/dbraw/zinc/62/70/96/597627096.db2.gz LMXRLGNSBSYKQA-DLBZAZTESA-N 2 2 341.496 1.007 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000881464192 597627099 /nfs/dbraw/zinc/62/70/99/597627099.db2.gz LMXRLGNSBSYKQA-DLBZAZTESA-N 2 2 341.496 1.007 20 0 EDADLP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590790 597647579 /nfs/dbraw/zinc/64/75/79/597647579.db2.gz DVKMIURBUAVNBG-KRWDZBQOSA-N 2 2 344.503 1.750 20 0 EDADLP C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878644481 597666059 /nfs/dbraw/zinc/66/60/59/597666059.db2.gz WPIJAYJNBMSDAT-HNNXBMFYSA-N 2 2 348.466 1.547 20 0 EDADLP C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878644481 597666061 /nfs/dbraw/zinc/66/60/61/597666061.db2.gz WPIJAYJNBMSDAT-HNNXBMFYSA-N 2 2 348.466 1.547 20 0 EDADLP CC(C)c1c[nH]c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000883371258 597725662 /nfs/dbraw/zinc/72/56/62/597725662.db2.gz CPKOZZGOCHGCPA-INIZCTEOSA-N 2 2 335.496 1.419 20 0 EDADLP CCCCNC(=O)CC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880251080 597882934 /nfs/dbraw/zinc/88/29/34/597882934.db2.gz YRCAIQFGPXNSQJ-UHFFFAOYSA-N 2 2 338.496 1.099 20 0 EDADLP COC(=O)c1cc(C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)no1 ZINC000879431890 597915527 /nfs/dbraw/zinc/91/55/27/597915527.db2.gz XRXZROWWBFDDIK-AWEZNQCLSA-N 2 2 337.420 1.097 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CCO1 ZINC000884043151 597976387 /nfs/dbraw/zinc/97/63/87/597976387.db2.gz PGLGWEINVAEMPW-DYVFJYSZSA-N 2 2 326.400 1.435 20 0 EDADLP COC(=O)c1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000888881237 598114159 /nfs/dbraw/zinc/11/41/59/598114159.db2.gz XSIGTUWNGJQLKB-UHFFFAOYSA-N 2 2 342.465 1.540 20 0 EDADLP COC(=O)c1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000888881237 598114160 /nfs/dbraw/zinc/11/41/60/598114160.db2.gz XSIGTUWNGJQLKB-UHFFFAOYSA-N 2 2 342.465 1.540 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@@H]3C2)c[nH+]1 ZINC000992728037 695244713 /nfs/dbraw/zinc/24/47/13/695244713.db2.gz LVJCIGVZKCSYPN-XHSDSOJGSA-N 2 2 334.464 1.136 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939855324 699993497 /nfs/dbraw/zinc/99/34/97/699993497.db2.gz DOKSPOOGLXUQMD-PBHICJAKSA-N 2 2 344.463 1.606 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cncs3)[C@@H]2C1 ZINC000992878764 695427269 /nfs/dbraw/zinc/42/72/69/695427269.db2.gz RXXLIMGNYJMFLP-NWANDNLSSA-N 2 2 345.472 1.826 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccns3)[C@H]2C1 ZINC000992882223 695428765 /nfs/dbraw/zinc/42/87/65/695428765.db2.gz YUNMDBSYUOVDRG-AEGPPILISA-N 2 2 345.472 1.826 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)CC1 ZINC001031188355 695705765 /nfs/dbraw/zinc/70/57/65/695705765.db2.gz JRIKBWADDBFIML-KRWDZBQOSA-N 2 2 337.508 1.722 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000915662375 695965472 /nfs/dbraw/zinc/96/54/72/695965472.db2.gz JAOKWEVXKSUKPP-GDBMZVCRSA-N 2 2 337.468 1.238 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)C1 ZINC001031252267 696009380 /nfs/dbraw/zinc/00/93/80/696009380.db2.gz CXPCVOPVBQALTB-OAHLLOKOSA-N 2 2 338.455 1.877 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](Cc3cccc4cccnc43)C2)C1 ZINC001031252267 696009382 /nfs/dbraw/zinc/00/93/82/696009382.db2.gz CXPCVOPVBQALTB-OAHLLOKOSA-N 2 2 338.455 1.877 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001031267351 696081461 /nfs/dbraw/zinc/08/14/61/696081461.db2.gz CYVVGBUEBIDFJW-LBPRGKRZSA-N 2 2 338.402 1.997 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)nc2)[C@@H]1C ZINC000993612695 696259031 /nfs/dbraw/zinc/25/90/31/696259031.db2.gz JLJHMXGBYHUWPB-RHSMWYFYSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)nc2)[C@@H]1C ZINC000993612695 696259033 /nfs/dbraw/zinc/25/90/33/696259033.db2.gz JLJHMXGBYHUWPB-RHSMWYFYSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2ccnn2C)[C@@H]1C ZINC000993626557 696290126 /nfs/dbraw/zinc/29/01/26/696290126.db2.gz VMGOUXVFITVKOB-ZBFHGGJFSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccnn2C)[C@@H]1C ZINC000993626557 696290127 /nfs/dbraw/zinc/29/01/27/696290127.db2.gz VMGOUXVFITVKOB-ZBFHGGJFSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC000993628133 696291603 /nfs/dbraw/zinc/29/16/03/696291603.db2.gz YCCPHYQMNDICHM-PBHICJAKSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC000993628133 696291604 /nfs/dbraw/zinc/29/16/04/696291604.db2.gz YCCPHYQMNDICHM-PBHICJAKSA-N 2 2 345.422 1.895 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)o2)[C@@H]1C ZINC000993629624 696292382 /nfs/dbraw/zinc/29/23/82/696292382.db2.gz ZNPQUSASJAHGLS-CJNGLKHVSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)o2)[C@@H]1C ZINC000993629624 696292383 /nfs/dbraw/zinc/29/23/83/696292383.db2.gz ZNPQUSASJAHGLS-CJNGLKHVSA-N 2 2 331.420 1.657 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1nc(C[NH+](C)C)cs1)C(C)C ZINC000916165179 696632246 /nfs/dbraw/zinc/63/22/46/696632246.db2.gz PJTAGMYFLYZBCO-UHFFFAOYSA-N 2 2 327.498 1.734 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1nc(C[NH+](C)C)cs1)C(C)C ZINC000916165179 696632247 /nfs/dbraw/zinc/63/22/47/696632247.db2.gz PJTAGMYFLYZBCO-UHFFFAOYSA-N 2 2 327.498 1.734 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)O[C@H]3CCOC3)CC2)CC1 ZINC000916582924 696683430 /nfs/dbraw/zinc/68/34/30/696683430.db2.gz XLHOJSREVUJFNU-INIZCTEOSA-N 2 2 325.453 1.404 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)O[C@H]3CCOC3)CC2)CC1 ZINC000916582924 696683431 /nfs/dbraw/zinc/68/34/31/696683431.db2.gz XLHOJSREVUJFNU-INIZCTEOSA-N 2 2 325.453 1.404 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000916874770 696804233 /nfs/dbraw/zinc/80/42/33/696804233.db2.gz YPZWVJYMPOZREK-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000916874770 696804235 /nfs/dbraw/zinc/80/42/35/696804235.db2.gz YPZWVJYMPOZREK-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1nccnc1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994404255 696827295 /nfs/dbraw/zinc/82/72/95/696827295.db2.gz FJHJQFYBHYWMCP-HOTGVXAUSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994404255 696827299 /nfs/dbraw/zinc/82/72/99/696827299.db2.gz FJHJQFYBHYWMCP-HOTGVXAUSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ccccc1C(=O)NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000917009160 696875681 /nfs/dbraw/zinc/87/56/81/696875681.db2.gz ZLEPBWPDMXVDKR-SFHVURJKSA-N 2 2 345.487 1.646 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994504083 696941760 /nfs/dbraw/zinc/94/17/60/696941760.db2.gz GLNDPQIPPFYEKH-HUUCEWRRSA-N 2 2 347.488 1.860 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994513075 696958341 /nfs/dbraw/zinc/95/83/41/696958341.db2.gz YWLMXRPLLOHPDT-GDBMZVCRSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994513075 696958344 /nfs/dbraw/zinc/95/83/44/696958344.db2.gz YWLMXRPLLOHPDT-GDBMZVCRSA-N 2 2 330.436 1.094 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2nsc3ccccc32)C1 ZINC001031585254 697280909 /nfs/dbraw/zinc/28/09/09/697280909.db2.gz USASMZVUSCGEGW-MRXNPFEDSA-N 2 2 344.484 1.939 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2nsc3ccccc32)C1 ZINC001031585254 697280910 /nfs/dbraw/zinc/28/09/10/697280910.db2.gz USASMZVUSCGEGW-MRXNPFEDSA-N 2 2 344.484 1.939 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001031675602 697485102 /nfs/dbraw/zinc/48/51/02/697485102.db2.gz OEQJEVWQMVAUGI-XJKSGUPXSA-N 2 2 332.448 1.434 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921434951 697611005 /nfs/dbraw/zinc/61/10/05/697611005.db2.gz RNCIQICONSTIKP-SMDDNHRTSA-N 2 2 337.493 1.487 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921434951 697611006 /nfs/dbraw/zinc/61/10/06/697611006.db2.gz RNCIQICONSTIKP-SMDDNHRTSA-N 2 2 337.493 1.487 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031713528 697733331 /nfs/dbraw/zinc/73/33/31/697733331.db2.gz BFZPWWRNPAFIBV-SFHVURJKSA-N 2 2 346.475 1.974 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031713528 697733333 /nfs/dbraw/zinc/73/33/33/697733333.db2.gz BFZPWWRNPAFIBV-SFHVURJKSA-N 2 2 346.475 1.974 20 0 EDADLP CC1([NH2+]Cc2nccs2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083384 700177499 /nfs/dbraw/zinc/17/74/99/700177499.db2.gz NBDRPNIWUFBZAI-UHFFFAOYSA-N 2 2 333.461 1.970 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943337909 698155943 /nfs/dbraw/zinc/15/59/43/698155943.db2.gz ZVJMWXVMNGMMDY-CJNGLKHVSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943337909 698155945 /nfs/dbraw/zinc/15/59/45/698155945.db2.gz ZVJMWXVMNGMMDY-CJNGLKHVSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nncs2)C1 ZINC000995038576 700227025 /nfs/dbraw/zinc/22/70/25/700227025.db2.gz QSIVEEVACBJACD-CHWSQXEVSA-N 2 2 334.449 1.118 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ncccn2)C1 ZINC000995041003 700248499 /nfs/dbraw/zinc/24/84/99/700248499.db2.gz XVUOJWDJIGWVNZ-GJZGRUSLSA-N 2 2 328.420 1.056 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)s1 ZINC000943756674 698832019 /nfs/dbraw/zinc/83/20/19/698832019.db2.gz UGUFLVQTZLRHQB-FZMZJTMJSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@@H](C)C2)s1 ZINC000943756674 698832025 /nfs/dbraw/zinc/83/20/25/698832025.db2.gz UGUFLVQTZLRHQB-FZMZJTMJSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC000995153366 701558737 /nfs/dbraw/zinc/55/87/37/701558737.db2.gz PFFAGOHRHNLPSX-STQMWFEESA-N 2 2 333.461 1.792 20 0 EDADLP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784826 699219696 /nfs/dbraw/zinc/21/96/96/699219696.db2.gz YLHZRHWXNBBXCM-KRWDZBQOSA-N 2 2 346.475 1.310 20 0 EDADLP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941563283 701584007 /nfs/dbraw/zinc/58/40/07/701584007.db2.gz DSHKXUZSJDLDPW-MRXNPFEDSA-N 2 2 345.491 1.314 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939211955 699360042 /nfs/dbraw/zinc/36/00/42/699360042.db2.gz VIWMRHRAZYXDEB-PBHICJAKSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C)on1 ZINC000939233740 699400587 /nfs/dbraw/zinc/40/05/87/699400587.db2.gz AEJQYKZDSGLWBH-XJKSGUPXSA-N 2 2 345.447 1.940 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nccn2C)C1 ZINC000939234293 699401185 /nfs/dbraw/zinc/40/11/85/699401185.db2.gz DHBMJYPIHMNYGP-HUUCEWRRSA-N 2 2 344.463 1.377 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)sn1 ZINC000995164466 701603417 /nfs/dbraw/zinc/60/34/17/701603417.db2.gz ZZMZUZWLFSQGBW-ZIAGYGMSSA-N 2 2 347.488 1.802 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)ncn1 ZINC000939543087 699683857 /nfs/dbraw/zinc/68/38/57/699683857.db2.gz ZMUMCPPZNQCAKY-SWLSCSKDSA-N 2 2 342.447 1.422 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)cs1 ZINC000939624693 699762387 /nfs/dbraw/zinc/76/23/87/699762387.db2.gz YXENAXLOFQPSSP-BMIGLBTASA-N 2 2 333.461 1.662 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939641483 699770877 /nfs/dbraw/zinc/77/08/77/699770877.db2.gz DVTULSJLAVWWBX-BLLLJJGKSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)on1 ZINC000939642144 699771543 /nfs/dbraw/zinc/77/15/43/699771543.db2.gz ICZLIRUGFFJLLB-LRDDRELGSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940355818 700517490 /nfs/dbraw/zinc/51/74/90/700517490.db2.gz BKYRNYRCKBQQHI-UHFFFAOYSA-N 2 2 330.436 1.165 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1)n1cc[nH+]c1 ZINC000940357129 700518857 /nfs/dbraw/zinc/51/88/57/700518857.db2.gz DXPLXMXZBGAVNQ-ZDUSSCGKSA-N 2 2 348.476 1.857 20 0 EDADLP CO[C@@H](C)C[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001031881675 700537984 /nfs/dbraw/zinc/53/79/84/700537984.db2.gz UCTDBIMETRKCQE-AWEZNQCLSA-N 2 2 328.416 1.569 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1)n1cc[nH+]c1 ZINC000940358105 700539555 /nfs/dbraw/zinc/53/95/55/700539555.db2.gz OZKWSMSDIWERRA-AWEZNQCLSA-N 2 2 345.451 1.134 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1)n1cc[nH+]c1 ZINC000940358082 700539757 /nfs/dbraw/zinc/53/97/57/700539757.db2.gz OISKWSRMTOBKRI-HNNXBMFYSA-N 2 2 342.447 1.795 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940426120 700619611 /nfs/dbraw/zinc/61/96/11/700619611.db2.gz GFEIJASNACOZSV-OAHLLOKOSA-N 2 2 334.464 1.360 20 0 EDADLP CC(C)(C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)c1c[nH+]c[nH]1 ZINC000940426222 700619671 /nfs/dbraw/zinc/61/96/71/700619671.db2.gz KOAFVXHPTYQJQN-UHFFFAOYSA-N 2 2 348.476 1.710 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]Cc2ccon2)CC1 ZINC000940444944 700646994 /nfs/dbraw/zinc/64/69/94/700646994.db2.gz KHPDBOBSNMLEJZ-UHFFFAOYSA-N 2 2 331.420 1.512 20 0 EDADLP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000940445948 700648051 /nfs/dbraw/zinc/64/80/51/700648051.db2.gz ZKMRRESSYZUILS-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940621349 700782477 /nfs/dbraw/zinc/78/24/77/700782477.db2.gz RGKJQBYAXVHOBX-CABCVRRESA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940621349 700782478 /nfs/dbraw/zinc/78/24/78/700782478.db2.gz RGKJQBYAXVHOBX-CABCVRRESA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940621349 700782480 /nfs/dbraw/zinc/78/24/80/700782480.db2.gz RGKJQBYAXVHOBX-CABCVRRESA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940621349 700782482 /nfs/dbraw/zinc/78/24/82/700782482.db2.gz RGKJQBYAXVHOBX-CABCVRRESA-N 2 2 334.464 1.794 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)CC[N@@H+]1C ZINC000940756978 700891930 /nfs/dbraw/zinc/89/19/30/700891930.db2.gz OIUOWSHRIKYUES-OAGGEKHMSA-N 2 2 345.491 1.534 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)CC[N@H+]1C ZINC000940756978 700891933 /nfs/dbraw/zinc/89/19/33/700891933.db2.gz OIUOWSHRIKYUES-OAGGEKHMSA-N 2 2 345.491 1.534 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)CC[NH+]1C ZINC000940756978 700891934 /nfs/dbraw/zinc/89/19/34/700891934.db2.gz OIUOWSHRIKYUES-OAGGEKHMSA-N 2 2 345.491 1.534 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)CC[NH+]1C ZINC000940756978 700891936 /nfs/dbraw/zinc/89/19/36/700891936.db2.gz OIUOWSHRIKYUES-OAGGEKHMSA-N 2 2 345.491 1.534 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC000995104080 700909668 /nfs/dbraw/zinc/90/96/68/700909668.db2.gz BHRDWDWZSFLLTL-JSGCOSHPSA-N 2 2 343.431 1.892 20 0 EDADLP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C(C)(C)C2)nn1 ZINC000940842368 700938616 /nfs/dbraw/zinc/93/86/16/700938616.db2.gz DYTXOGRIYPRIKX-CVEARBPZSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C(C)(C)C2)nn1 ZINC000940842368 700938617 /nfs/dbraw/zinc/93/86/17/700938617.db2.gz DYTXOGRIYPRIKX-CVEARBPZSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C(C)(C)C2)nn1 ZINC000940842368 700938618 /nfs/dbraw/zinc/93/86/18/700938618.db2.gz DYTXOGRIYPRIKX-CVEARBPZSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C(C)(C)C2)nn1 ZINC000940842368 700938619 /nfs/dbraw/zinc/93/86/19/700938619.db2.gz DYTXOGRIYPRIKX-CVEARBPZSA-N 2 2 348.495 1.016 20 0 EDADLP CC1(C)C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000940865082 700947086 /nfs/dbraw/zinc/94/70/86/700947086.db2.gz RVTUWFVHSCOBQT-OAHLLOKOSA-N 2 2 347.463 1.415 20 0 EDADLP CC1(C)C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000940865082 700947088 /nfs/dbraw/zinc/94/70/88/700947088.db2.gz RVTUWFVHSCOBQT-OAHLLOKOSA-N 2 2 347.463 1.415 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851551 700952344 /nfs/dbraw/zinc/95/23/44/700952344.db2.gz YEARAIFGCSSTEF-HOCLYGCPSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851551 700952345 /nfs/dbraw/zinc/95/23/45/700952345.db2.gz YEARAIFGCSSTEF-HOCLYGCPSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995108464 700965637 /nfs/dbraw/zinc/96/56/37/700965637.db2.gz UPMDJILLJYCHAB-ZIAGYGMSSA-N 2 2 328.420 1.125 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002068 701035716 /nfs/dbraw/zinc/03/57/16/701035716.db2.gz CXNPMDUJWINUPI-MRXNPFEDSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002068 701035718 /nfs/dbraw/zinc/03/57/18/701035718.db2.gz CXNPMDUJWINUPI-MRXNPFEDSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000941032963 701075396 /nfs/dbraw/zinc/07/53/96/701075396.db2.gz KKDKMISQKQXDTI-HZPDHXFCSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000941032963 701075397 /nfs/dbraw/zinc/07/53/97/701075397.db2.gz KKDKMISQKQXDTI-HZPDHXFCSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000941032963 701075398 /nfs/dbraw/zinc/07/53/98/701075398.db2.gz KKDKMISQKQXDTI-HZPDHXFCSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000941032963 701075399 /nfs/dbraw/zinc/07/53/99/701075399.db2.gz KKDKMISQKQXDTI-HZPDHXFCSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ccn(C)n2)CC1(C)C ZINC000941033834 701077205 /nfs/dbraw/zinc/07/72/05/701077205.db2.gz WFYCZVCSKRSGFP-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ccn(C)n2)CC1(C)C ZINC000941033834 701077208 /nfs/dbraw/zinc/07/72/08/701077208.db2.gz WFYCZVCSKRSGFP-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)CC1(C)C ZINC000941033834 701077211 /nfs/dbraw/zinc/07/72/11/701077211.db2.gz WFYCZVCSKRSGFP-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP 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/nfs/dbraw/zinc/61/54/77/706615477.db2.gz DKWUVJOBJVGRGM-XIRDDKMYSA-N 2 2 332.448 1.546 20 0 EDADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1)n1cc[nH+]c1 ZINC001032656452 706615479 /nfs/dbraw/zinc/61/54/79/706615479.db2.gz DKWUVJOBJVGRGM-XIRDDKMYSA-N 2 2 332.448 1.546 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000995735724 701847546 /nfs/dbraw/zinc/84/75/46/701847546.db2.gz OBSJMARHILHMRP-OAHLLOKOSA-N 2 2 345.422 1.903 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001032133499 701884957 /nfs/dbraw/zinc/88/49/57/701884957.db2.gz GPEYDJVETRABFN-UHFFFAOYSA-N 2 2 345.472 1.508 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)nn1C ZINC000995743190 701944480 /nfs/dbraw/zinc/94/44/80/701944480.db2.gz CPZNPQAKBJBVBM-OAHLLOKOSA-N 2 2 344.463 1.411 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944442221 702022635 /nfs/dbraw/zinc/02/26/35/702022635.db2.gz CSPVVPBNHXTWNQ-XHDPSFHLSA-N 2 2 331.420 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ZINC001032207320 702144482 /nfs/dbraw/zinc/14/44/82/702144482.db2.gz MSAUZUUSBPJPAA-UHFFFAOYSA-N 2 2 342.443 1.906 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1cccnc1 ZINC000995894248 702196907 /nfs/dbraw/zinc/19/69/07/702196907.db2.gz SWOMUTZLRQTBIS-MRXNPFEDSA-N 2 2 327.432 1.764 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccnc1 ZINC000995894248 702196912 /nfs/dbraw/zinc/19/69/12/702196912.db2.gz SWOMUTZLRQTBIS-MRXNPFEDSA-N 2 2 327.432 1.764 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944097103 702260901 /nfs/dbraw/zinc/26/09/01/702260901.db2.gz DGCLLEWJVQOJCK-DYVFJYSZSA-N 2 2 345.447 1.540 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944097103 702260905 /nfs/dbraw/zinc/26/09/05/702260905.db2.gz DGCLLEWJVQOJCK-DYVFJYSZSA-N 2 2 345.447 1.540 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1)[NH+](C)C ZINC000995944391 702289990 /nfs/dbraw/zinc/28/99/90/702289990.db2.gz BQKFZUPKIBTMSN-VXGBXAGGSA-N 2 2 325.482 1.205 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995964732 702310384 /nfs/dbraw/zinc/31/03/84/702310384.db2.gz BXRDFLBHCOIZFT-GJZGRUSLSA-N 2 2 331.464 1.288 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000995964732 702310391 /nfs/dbraw/zinc/31/03/91/702310391.db2.gz BXRDFLBHCOIZFT-GJZGRUSLSA-N 2 2 331.464 1.288 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C)C(N)=O ZINC000996037654 702424198 /nfs/dbraw/zinc/42/41/98/702424198.db2.gz FYINPPGWLJETKF-GXTWGEPZSA-N 2 2 343.431 1.038 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996102002 702519757 /nfs/dbraw/zinc/51/97/57/702519757.db2.gz SSFGXSIPBARTSC-IAGOWNOFSA-N 2 2 337.508 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996102002 702519761 /nfs/dbraw/zinc/51/97/61/702519761.db2.gz SSFGXSIPBARTSC-IAGOWNOFSA-N 2 2 337.508 1.724 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000996106713 702529102 /nfs/dbraw/zinc/52/91/02/702529102.db2.gz QDPDNWVJCMIJGD-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2(C)C)o1 ZINC000996195844 702622762 /nfs/dbraw/zinc/62/27/62/702622762.db2.gz LLKKEEXWKBMOII-QEJZJMRPSA-N 2 2 349.479 1.435 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2(C)C)o1 ZINC000996195844 702622767 /nfs/dbraw/zinc/62/27/67/702622767.db2.gz LLKKEEXWKBMOII-QEJZJMRPSA-N 2 2 349.479 1.435 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2csnn2)C(C)(C)C1)[NH+](C)C ZINC000996250753 702652470 /nfs/dbraw/zinc/65/24/70/702652470.db2.gz XIYIROPTQZXXJS-UONOGXRCSA-N 2 2 339.509 1.451 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2(C)C)n1 ZINC000996310318 702699742 /nfs/dbraw/zinc/69/97/42/702699742.db2.gz LXQTWGOPFOTSSY-AWEZNQCLSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2(C)C)n1 ZINC000996310318 702699744 /nfs/dbraw/zinc/69/97/44/702699744.db2.gz LXQTWGOPFOTSSY-AWEZNQCLSA-N 2 2 349.479 1.437 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996512203 702831694 /nfs/dbraw/zinc/83/16/94/702831694.db2.gz BUWMJYWFUHYZKF-DLBZAZTESA-N 2 2 348.491 1.748 20 0 EDADLP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996513201 702832502 /nfs/dbraw/zinc/83/25/02/702832502.db2.gz GXWXTKXTAFZMLM-MRXNPFEDSA-N 2 2 345.447 1.540 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000996514986 702850708 /nfs/dbraw/zinc/85/07/08/702850708.db2.gz OVRXGAJDBZOQGL-KRWDZBQOSA-N 2 2 326.444 1.989 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)cn1 ZINC000996515857 702851492 /nfs/dbraw/zinc/85/14/92/702851492.db2.gz UZOADTKWXYNJHB-INIZCTEOSA-N 2 2 342.447 1.088 20 0 EDADLP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996568890 702880985 /nfs/dbraw/zinc/88/09/85/702880985.db2.gz OCVJQZKVZDFYLZ-HNNXBMFYSA-N 2 2 344.463 1.113 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996610335 702915470 /nfs/dbraw/zinc/91/54/70/702915470.db2.gz ILEQLNOKJXTHTK-CYBMUJFWSA-N 2 2 335.452 1.054 20 0 EDADLP COCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001032313700 702966525 /nfs/dbraw/zinc/96/65/25/702966525.db2.gz OGBSBRXWBHCXOI-GBESFXJTSA-N 2 2 343.471 1.712 20 0 EDADLP COCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001032313700 702966527 /nfs/dbraw/zinc/96/65/27/702966527.db2.gz OGBSBRXWBHCXOI-GBESFXJTSA-N 2 2 343.471 1.712 20 0 EDADLP COCc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001032313700 702966528 /nfs/dbraw/zinc/96/65/28/702966528.db2.gz OGBSBRXWBHCXOI-GBESFXJTSA-N 2 2 343.471 1.712 20 0 EDADLP COCc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)c1 ZINC001032313700 702966530 /nfs/dbraw/zinc/96/65/30/702966530.db2.gz OGBSBRXWBHCXOI-GBESFXJTSA-N 2 2 343.471 1.712 20 0 EDADLP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000996697219 702995951 /nfs/dbraw/zinc/99/59/51/702995951.db2.gz QGTAYNSRGRYSCU-HZPDHXFCSA-N 2 2 339.443 1.997 20 0 EDADLP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000996697219 702995952 /nfs/dbraw/zinc/99/59/52/702995952.db2.gz QGTAYNSRGRYSCU-HZPDHXFCSA-N 2 2 339.443 1.997 20 0 EDADLP CC[C@H](C(=O)N1CCC([NH2+]Cc2nnsc2Cl)CC1)[NH+](C)C ZINC000996712513 703007391 /nfs/dbraw/zinc/00/73/91/703007391.db2.gz PZOVNLXNKXYWRH-GFCCVEGCSA-N 2 2 345.900 1.612 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996712563 703007423 /nfs/dbraw/zinc/00/74/23/703007423.db2.gz FWNSUCBYWPAECR-INIZCTEOSA-N 2 2 327.432 1.613 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2snnc2C)C[C@H]1C ZINC000942518600 703019965 /nfs/dbraw/zinc/01/99/65/703019965.db2.gz UHIKBSQXLWIICV-BXUZGUMPSA-N 2 2 348.476 1.378 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2snnc2C)C[C@H]1C ZINC000942518600 703019966 /nfs/dbraw/zinc/01/99/66/703019966.db2.gz UHIKBSQXLWIICV-BXUZGUMPSA-N 2 2 348.476 1.378 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2cscn2)CC1 ZINC000996728643 703023648 /nfs/dbraw/zinc/02/36/48/703023648.db2.gz CFKSKIBYXHAHJN-CYBMUJFWSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996730842 703027977 /nfs/dbraw/zinc/02/79/77/703027977.db2.gz LBNBVQUGIWBQIW-MRXNPFEDSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996731778 703028599 /nfs/dbraw/zinc/02/85/99/703028599.db2.gz MBFVWHLJGMSISU-CYBMUJFWSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996735103 703031609 /nfs/dbraw/zinc/03/16/09/703031609.db2.gz YUTVRGAODIBLFN-LBPRGKRZSA-N 2 2 346.460 1.078 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2cscn2)CC1 ZINC000996741528 703036496 /nfs/dbraw/zinc/03/64/96/703036496.db2.gz ARYBGFOYJRJAGP-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996763844 703056132 /nfs/dbraw/zinc/05/61/32/703056132.db2.gz ZIKUSLKFGBKNOX-CYBMUJFWSA-N 2 2 345.472 1.683 20 0 EDADLP C[C@H]1CC[C@H](C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)O1 ZINC000996829118 703118360 /nfs/dbraw/zinc/11/83/60/703118360.db2.gz AWSKTGCIJXXFFY-GOEBONIOSA-N 2 2 334.464 1.501 20 0 EDADLP C[C@H](O)C[NH2+]C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000996844574 703121118 /nfs/dbraw/zinc/12/11/18/703121118.db2.gz ZRLUCXFNFPCACZ-AWEZNQCLSA-N 2 2 328.416 1.447 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C(F)(F)F)C1 ZINC000996857443 703141712 /nfs/dbraw/zinc/14/17/12/703141712.db2.gz LVNXWZOKXNUQPR-TZMCWYRMSA-N 2 2 344.381 1.979 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996987860 703245410 /nfs/dbraw/zinc/24/54/10/703245410.db2.gz HLTNMZYNXIGSOC-HIFRSBDPSA-N 2 2 332.448 1.447 20 0 EDADLP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996989284 703246335 /nfs/dbraw/zinc/24/63/35/703246335.db2.gz MTYVOKHUCFODIV-OAHLLOKOSA-N 2 2 343.431 1.907 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)no1 ZINC000996994891 703251720 /nfs/dbraw/zinc/25/17/20/703251720.db2.gz LPCFIBHBXDESCQ-CQSZACIVSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)no1 ZINC000996994891 703251722 /nfs/dbraw/zinc/25/17/22/703251722.db2.gz LPCFIBHBXDESCQ-CQSZACIVSA-N 2 2 349.479 1.758 20 0 EDADLP CCn1nncc1C[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000997046412 703295286 /nfs/dbraw/zinc/29/52/86/703295286.db2.gz OVGLGYBSVZGNQQ-AWEZNQCLSA-N 2 2 345.451 1.226 20 0 EDADLP C[C@@H](CC(=O)N1CCC([NH2+]Cc2cnsn2)CC1)n1cc[nH+]c1 ZINC000997043797 703296535 /nfs/dbraw/zinc/29/65/35/703296535.db2.gz BHNGAWLYLJZJBS-LBPRGKRZSA-N 2 2 334.449 1.467 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)CC1 ZINC001032699418 706735886 /nfs/dbraw/zinc/73/58/86/706735886.db2.gz PZWOJHPUPIXYNE-ROUUACIJSA-N 2 2 345.491 1.246 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)CC1 ZINC001032699418 706735887 /nfs/dbraw/zinc/73/58/87/706735887.db2.gz PZWOJHPUPIXYNE-ROUUACIJSA-N 2 2 345.491 1.246 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000997083881 703322332 /nfs/dbraw/zinc/32/23/32/703322332.db2.gz JJDICGPDUFLHJX-AWEZNQCLSA-N 2 2 327.432 1.764 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000997083881 703322334 /nfs/dbraw/zinc/32/23/34/703322334.db2.gz JJDICGPDUFLHJX-AWEZNQCLSA-N 2 2 327.432 1.764 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1 ZINC001032379406 703353733 /nfs/dbraw/zinc/35/37/33/703353733.db2.gz PMDUPZXYUYNFQQ-IRXDYDNUSA-N 2 2 346.475 1.834 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCOCC1 ZINC001032379406 703353736 /nfs/dbraw/zinc/35/37/36/703353736.db2.gz PMDUPZXYUYNFQQ-IRXDYDNUSA-N 2 2 346.475 1.834 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000997181185 703471534 /nfs/dbraw/zinc/47/15/34/703471534.db2.gz WKFKNWRHZXPBID-UHFFFAOYSA-N 2 2 347.488 1.817 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1)c1c[nH+]c[nH]1 ZINC000997184494 703473359 /nfs/dbraw/zinc/47/33/59/703473359.db2.gz YUFVKAIYONLJIV-CQSZACIVSA-N 2 2 334.464 1.695 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997221020 703499266 /nfs/dbraw/zinc/49/92/66/703499266.db2.gz IINCKBKYUNALCO-ZDUSSCGKSA-N 2 2 328.420 1.392 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997222309 703500101 /nfs/dbraw/zinc/50/01/01/703500101.db2.gz QTOUPPVUFLFCLP-HNNXBMFYSA-N 2 2 334.464 1.656 20 0 EDADLP CC1CC(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)CC2)C1 ZINC000997343200 703574380 /nfs/dbraw/zinc/57/43/80/703574380.db2.gz ASTUBUBMAPEGHZ-LADRWXRNSA-N 2 2 349.519 1.724 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032443336 703619736 /nfs/dbraw/zinc/61/97/36/703619736.db2.gz SVYMIOGEXDXDBL-KBPBESRZSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032443336 703619737 /nfs/dbraw/zinc/61/97/37/703619737.db2.gz SVYMIOGEXDXDBL-KBPBESRZSA-N 2 2 334.489 1.721 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2c[nH+]cn2C)C1 ZINC001032443480 703619864 /nfs/dbraw/zinc/61/98/64/703619864.db2.gz WWRWSQJLMPNUIY-IKGGRYGDSA-N 2 2 345.491 1.183 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2c[nH+]cn2C)C1 ZINC001032443480 703619865 /nfs/dbraw/zinc/61/98/65/703619865.db2.gz WWRWSQJLMPNUIY-IKGGRYGDSA-N 2 2 345.491 1.183 20 0 EDADLP Cc1oncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032454414 703641054 /nfs/dbraw/zinc/64/10/54/703641054.db2.gz QTYYCONPXLCEEM-ULQDDVLXSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1oncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032454414 703641056 /nfs/dbraw/zinc/64/10/56/703641056.db2.gz QTYYCONPXLCEEM-ULQDDVLXSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1oncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032454414 703641058 /nfs/dbraw/zinc/64/10/58/703641058.db2.gz QTYYCONPXLCEEM-ULQDDVLXSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1oncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001032454414 703641060 /nfs/dbraw/zinc/64/10/60/703641060.db2.gz QTYYCONPXLCEEM-ULQDDVLXSA-N 2 2 332.448 1.643 20 0 EDADLP Cc1nonc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997517178 703767073 /nfs/dbraw/zinc/76/70/73/703767073.db2.gz VPYRMPLNUXTZIC-LRDDRELGSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997517178 703767074 /nfs/dbraw/zinc/76/70/74/703767074.db2.gz VPYRMPLNUXTZIC-LRDDRELGSA-N 2 2 335.452 1.189 20 0 EDADLP CC(C)c1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000997604660 703900088 /nfs/dbraw/zinc/90/00/88/703900088.db2.gz BZBPUIQITDOXMG-OAHLLOKOSA-N 2 2 349.479 1.615 20 0 EDADLP CC(C)c1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000997604660 703900089 /nfs/dbraw/zinc/90/00/89/703900089.db2.gz BZBPUIQITDOXMG-OAHLLOKOSA-N 2 2 349.479 1.615 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001004202601 703935472 /nfs/dbraw/zinc/93/54/72/703935472.db2.gz DTKZAOCGQSGDRE-GJZGRUSLSA-N 2 2 333.480 1.374 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nn1C ZINC001004203674 703940583 /nfs/dbraw/zinc/94/05/83/703940583.db2.gz MVASZFSQDJZSFN-GASCZTMLSA-N 2 2 347.507 1.682 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nn1C ZINC001004203674 703940584 /nfs/dbraw/zinc/94/05/84/703940584.db2.gz MVASZFSQDJZSFN-GASCZTMLSA-N 2 2 347.507 1.682 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CC(C)(C)CO1 ZINC001032522217 703968653 /nfs/dbraw/zinc/96/86/53/703968653.db2.gz UNCKRPGRJXKLQX-HRCADAONSA-N 2 2 332.448 1.292 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CC(C)(C)CO1 ZINC001032522217 703968654 /nfs/dbraw/zinc/96/86/54/703968654.db2.gz UNCKRPGRJXKLQX-HRCADAONSA-N 2 2 332.448 1.292 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)c(C)o1 ZINC001033080179 704145497 /nfs/dbraw/zinc/14/54/97/704145497.db2.gz DTMTXFPHZXAPPJ-IRXDYDNUSA-N 2 2 346.475 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)c(C)o1 ZINC001033080179 704145499 /nfs/dbraw/zinc/14/54/99/704145499.db2.gz DTMTXFPHZXAPPJ-IRXDYDNUSA-N 2 2 346.475 1.666 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000997739492 704637507 /nfs/dbraw/zinc/63/75/07/704637507.db2.gz WCGIVXDSMWFIEA-MRXNPFEDSA-N 2 2 334.464 1.597 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)s1 ZINC000944946494 704799521 /nfs/dbraw/zinc/79/95/21/704799521.db2.gz WTVGAUQXOZLGPI-GXTWGEPZSA-N 2 2 337.493 1.269 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)s1 ZINC000944946494 704799522 /nfs/dbraw/zinc/79/95/22/704799522.db2.gz WTVGAUQXOZLGPI-GXTWGEPZSA-N 2 2 337.493 1.269 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944946672 704799882 /nfs/dbraw/zinc/79/98/82/704799882.db2.gz YDXFTYJVEGWUSC-NVXWUHKLSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944946672 704799884 /nfs/dbraw/zinc/79/98/84/704799884.db2.gz YDXFTYJVEGWUSC-NVXWUHKLSA-N 2 2 333.480 1.325 20 0 EDADLP Cn1ccnc1C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000997950877 705077541 /nfs/dbraw/zinc/07/75/41/705077541.db2.gz DRGOJYPWEORVTG-UHFFFAOYSA-N 2 2 330.436 1.035 20 0 EDADLP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032586898 705106740 /nfs/dbraw/zinc/10/67/40/705106740.db2.gz GKOHMWAZBHDLDE-CAMMJAKZSA-N 2 2 342.487 1.905 20 0 EDADLP Cc1ccncc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001032586898 705106742 /nfs/dbraw/zinc/10/67/42/705106742.db2.gz GKOHMWAZBHDLDE-CAMMJAKZSA-N 2 2 342.487 1.905 20 0 EDADLP Cc1ccncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032586898 705106747 /nfs/dbraw/zinc/10/67/47/705106747.db2.gz GKOHMWAZBHDLDE-CAMMJAKZSA-N 2 2 342.487 1.905 20 0 EDADLP Cc1ccncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032586898 705106750 /nfs/dbraw/zinc/10/67/50/705106750.db2.gz GKOHMWAZBHDLDE-CAMMJAKZSA-N 2 2 342.487 1.905 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccsc2)C1 ZINC001032587709 705115108 /nfs/dbraw/zinc/11/51/08/705115108.db2.gz QKTQNPCLMIZJPE-ULQDDVLXSA-N 2 2 349.500 1.642 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccsc2)C1 ZINC001032587709 705115110 /nfs/dbraw/zinc/11/51/10/705115110.db2.gz QKTQNPCLMIZJPE-ULQDDVLXSA-N 2 2 349.500 1.642 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccsc2)C1 ZINC001032587709 705115113 /nfs/dbraw/zinc/11/51/13/705115113.db2.gz QKTQNPCLMIZJPE-ULQDDVLXSA-N 2 2 349.500 1.642 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccsc2)C1 ZINC001032587709 705115115 /nfs/dbraw/zinc/11/51/15/705115115.db2.gz QKTQNPCLMIZJPE-ULQDDVLXSA-N 2 2 349.500 1.642 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000997973984 705116729 /nfs/dbraw/zinc/11/67/29/705116729.db2.gz DMAGHDPAKNMQIM-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000997973984 705116733 /nfs/dbraw/zinc/11/67/33/705116733.db2.gz DMAGHDPAKNMQIM-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000997973984 705116735 /nfs/dbraw/zinc/11/67/35/705116735.db2.gz DMAGHDPAKNMQIM-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC000997973984 705116739 /nfs/dbraw/zinc/11/67/39/705116739.db2.gz DMAGHDPAKNMQIM-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998044575 705240002 /nfs/dbraw/zinc/24/00/02/705240002.db2.gz HWJZVRWWCQLZNC-IAGOWNOFSA-N 2 2 348.491 1.531 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998044575 705240003 /nfs/dbraw/zinc/24/00/03/705240003.db2.gz HWJZVRWWCQLZNC-IAGOWNOFSA-N 2 2 348.491 1.531 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000998119487 705369397 /nfs/dbraw/zinc/36/93/97/705369397.db2.gz MFQXNPJIIQMRCV-AWEZNQCLSA-N 2 2 342.447 1.640 20 0 EDADLP Cc1cccnc1C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000998181572 705481753 /nfs/dbraw/zinc/48/17/53/705481753.db2.gz HAZYGNCGCRFNFL-UHFFFAOYSA-N 2 2 327.432 1.684 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998222734 705549237 /nfs/dbraw/zinc/54/92/37/705549237.db2.gz KORKRLHCTBGOCM-UHFFFAOYSA-N 2 2 334.464 1.217 20 0 EDADLP Cc1cccnc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611084 705581490 /nfs/dbraw/zinc/58/14/90/705581490.db2.gz DWCPWCJEMWXENI-XYJFISCASA-N 2 2 330.476 1.761 20 0 EDADLP Cc1cccnc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611084 705581491 /nfs/dbraw/zinc/58/14/91/705581491.db2.gz DWCPWCJEMWXENI-XYJFISCASA-N 2 2 330.476 1.761 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998256305 705617684 /nfs/dbraw/zinc/61/76/84/705617684.db2.gz VTMIDSCYZHUAQC-SFHVURJKSA-N 2 2 348.491 1.750 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]Cc2nncn2C)C1 ZINC000998988785 706420679 /nfs/dbraw/zinc/42/06/79/706420679.db2.gz LNSMOIJLLWKWOO-UHFFFAOYSA-N 2 2 339.403 1.084 20 0 EDADLP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999005312 706445585 /nfs/dbraw/zinc/44/55/85/706445585.db2.gz PKKMGXKUCZVWMO-NFOMZHRRSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999033969 706447741 /nfs/dbraw/zinc/44/77/41/706447741.db2.gz AQKZHCLHVMNATI-INIZCTEOSA-N 2 2 327.432 1.827 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)on1 ZINC000999037252 706452766 /nfs/dbraw/zinc/45/27/66/706452766.db2.gz AWSOVTIZSKFECP-LBPRGKRZSA-N 2 2 333.392 1.120 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999049302 706469986 /nfs/dbraw/zinc/46/99/86/706469986.db2.gz ZMNBYVSUIDTIBT-CQSZACIVSA-N 2 2 343.431 1.989 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999346331 706858253 /nfs/dbraw/zinc/85/82/53/706858253.db2.gz DRYFEXFWSKITTE-CQSZACIVSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]C[C@H]3CCCOC3)C2)c[nH+]1 ZINC000999466154 706974148 /nfs/dbraw/zinc/97/41/48/706974148.db2.gz MHUKEMYULOYOQF-SJORKVTESA-N 2 2 348.491 1.934 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999512378 707010814 /nfs/dbraw/zinc/01/08/14/707010814.db2.gz PJJKKOIVEKTJQC-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999512378 707010817 /nfs/dbraw/zinc/01/08/17/707010817.db2.gz PJJKKOIVEKTJQC-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](CNc2nc(C)[nH+]c(C)c2C)C1 ZINC001060880613 707021265 /nfs/dbraw/zinc/02/12/65/707021265.db2.gz IYEJTHARLDSSPL-INIZCTEOSA-N 2 2 342.447 1.867 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999545057 707045226 /nfs/dbraw/zinc/04/52/26/707045226.db2.gz KMQWAQVAJGERBZ-LSDHHAIUSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999595019 707097849 /nfs/dbraw/zinc/09/78/49/707097849.db2.gz CUBPOVUVJMJXLD-UKRRQHHQSA-N 2 2 347.463 1.648 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999599276 707101851 /nfs/dbraw/zinc/10/18/51/707101851.db2.gz YEVQKQGENSWJSQ-AWEZNQCLSA-N 2 2 333.436 1.087 20 0 EDADLP CCc1nocc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999776172 707336462 /nfs/dbraw/zinc/33/64/62/707336462.db2.gz NRZLEXKXTDXMCP-HNNXBMFYSA-N 2 2 345.447 1.684 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC000999777069 707337741 /nfs/dbraw/zinc/33/77/41/707337741.db2.gz QYGOAQVOMSWYAW-JKSUJKDBSA-N 2 2 348.491 1.748 20 0 EDADLP C[C@@H]([NH2+]Cc1ccon1)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004844893 707412290 /nfs/dbraw/zinc/41/22/90/707412290.db2.gz HDTMGINOFBLALP-UKRRQHHQSA-N 2 2 331.420 1.890 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)sn1 ZINC000999840425 707413121 /nfs/dbraw/zinc/41/31/21/707413121.db2.gz FWMNOEDJGGTXHJ-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033295312 707421885 /nfs/dbraw/zinc/42/18/85/707421885.db2.gz KMCFKMWHHXMTJK-SJLPKXTDSA-N 2 2 345.491 1.327 20 0 EDADLP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033295312 707421889 /nfs/dbraw/zinc/42/18/89/707421889.db2.gz KMCFKMWHHXMTJK-SJLPKXTDSA-N 2 2 345.491 1.327 20 0 EDADLP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004840162 707426019 /nfs/dbraw/zinc/42/60/19/707426019.db2.gz DWWOBIFTXGEJBC-GDBMZVCRSA-N 2 2 344.463 1.635 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946800552 707451079 /nfs/dbraw/zinc/45/10/79/707451079.db2.gz DUXQIVCAFVPUHC-IYBDPMFKSA-N 2 2 342.447 1.019 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946800552 707451082 /nfs/dbraw/zinc/45/10/82/707451082.db2.gz DUXQIVCAFVPUHC-IYBDPMFKSA-N 2 2 342.447 1.019 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cs1 ZINC000999837023 707473129 /nfs/dbraw/zinc/47/31/29/707473129.db2.gz OTEQBQBKOJOEIM-HNNXBMFYSA-N 2 2 347.488 1.861 20 0 EDADLP CC(C)(C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1)[NH+]1CCCC1 ZINC000999871420 707515166 /nfs/dbraw/zinc/51/51/66/707515166.db2.gz KRIYSVDXWUBPHV-CYBMUJFWSA-N 2 2 337.493 1.493 20 0 EDADLP CN(C(=O)[C@H](C1CC1)[NH+]1CCOCC1)C1CC([NH2+]CC2CCCC2)C1 ZINC000999872684 707516982 /nfs/dbraw/zinc/51/69/82/707516982.db2.gz WIXRQSLGFCQHFL-ACBHZAAOSA-N 2 2 349.519 1.866 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)cs1 ZINC000999917143 707559370 /nfs/dbraw/zinc/55/93/70/707559370.db2.gz UIWDJPNQGGYTFL-UHFFFAOYSA-N 2 2 333.461 1.681 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000999917725 707559842 /nfs/dbraw/zinc/55/98/42/707559842.db2.gz WTHWLJLNVDLBPT-UHFFFAOYSA-N 2 2 346.460 1.391 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999972730 707584713 /nfs/dbraw/zinc/58/47/13/707584713.db2.gz INKRPPZPFFAEHS-HOTGVXAUSA-N 2 2 349.479 1.581 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999972730 707584721 /nfs/dbraw/zinc/58/47/21/707584721.db2.gz INKRPPZPFFAEHS-HOTGVXAUSA-N 2 2 349.479 1.581 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033208010 707673624 /nfs/dbraw/zinc/67/36/24/707673624.db2.gz RIPIOBAMQRTYPT-HOTGVXAUSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033208010 707673630 /nfs/dbraw/zinc/67/36/30/707673630.db2.gz RIPIOBAMQRTYPT-HOTGVXAUSA-N 2 2 346.475 1.547 20 0 EDADLP C[C@H]([NH2+]Cc1nccs1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004946956 707718981 /nfs/dbraw/zinc/71/89/81/707718981.db2.gz OECGVYIDNOLCRK-JSGCOSHPSA-N 2 2 333.461 1.968 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCc1ccsc1 ZINC001032733034 707740085 /nfs/dbraw/zinc/74/00/85/707740085.db2.gz HFBPJAVCKDIXHY-IRXDYDNUSA-N 2 2 344.484 1.942 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCc1ccsc1 ZINC001032733034 707740090 /nfs/dbraw/zinc/74/00/90/707740090.db2.gz HFBPJAVCKDIXHY-IRXDYDNUSA-N 2 2 344.484 1.942 20 0 EDADLP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001004966240 707761213 /nfs/dbraw/zinc/76/12/13/707761213.db2.gz OTECDQZGMFVNRJ-ZBFHGGJFSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033390673 707765116 /nfs/dbraw/zinc/76/51/16/707765116.db2.gz LZFVSJRXIIMPJS-HOCLYGCPSA-N 2 2 334.464 1.919 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033390673 707765119 /nfs/dbraw/zinc/76/51/19/707765119.db2.gz LZFVSJRXIIMPJS-HOCLYGCPSA-N 2 2 334.464 1.919 20 0 EDADLP C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033220332 707782567 /nfs/dbraw/zinc/78/25/67/707782567.db2.gz NVQDDKHLEKNSBJ-CHWSQXEVSA-N 2 2 326.416 1.631 20 0 EDADLP C[C@@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033220332 707782570 /nfs/dbraw/zinc/78/25/70/707782570.db2.gz NVQDDKHLEKNSBJ-CHWSQXEVSA-N 2 2 326.416 1.631 20 0 EDADLP Cc1ncoc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004963339 707789211 /nfs/dbraw/zinc/78/92/11/707789211.db2.gz FLURTPIVRPIZNY-OCCSQVGLSA-N 2 2 331.420 1.808 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCCO1 ZINC001032753708 707826602 /nfs/dbraw/zinc/82/66/02/707826602.db2.gz JIODVRFJEQRSNU-JYJNAYRXSA-N 2 2 332.448 1.505 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCCO1 ZINC001032753708 707826606 /nfs/dbraw/zinc/82/66/06/707826606.db2.gz JIODVRFJEQRSNU-JYJNAYRXSA-N 2 2 332.448 1.505 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)cn1 ZINC001033422710 707837557 /nfs/dbraw/zinc/83/75/57/707837557.db2.gz IKDYJQSSJMMWKT-WMLDXEAASA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC001033422710 707837559 /nfs/dbraw/zinc/83/75/59/707837559.db2.gz IKDYJQSSJMMWKT-WMLDXEAASA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001033422710 707837560 /nfs/dbraw/zinc/83/75/60/707837560.db2.gz IKDYJQSSJMMWKT-WMLDXEAASA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001033422710 707837562 /nfs/dbraw/zinc/83/75/62/707837562.db2.gz IKDYJQSSJMMWKT-WMLDXEAASA-N 2 2 331.464 1.302 20 0 EDADLP COc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033423147 707838699 /nfs/dbraw/zinc/83/86/99/707838699.db2.gz LKKGIAJKHLXKDP-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP COc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)n1 ZINC001033423147 707838701 /nfs/dbraw/zinc/83/87/01/707838701.db2.gz LKKGIAJKHLXKDP-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP COc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001033423147 707838704 /nfs/dbraw/zinc/83/87/04/707838704.db2.gz LKKGIAJKHLXKDP-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP COc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001033423147 707838706 /nfs/dbraw/zinc/83/87/06/707838706.db2.gz LKKGIAJKHLXKDP-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP CCc1nnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004994887 707881645 /nfs/dbraw/zinc/88/16/45/707881645.db2.gz WUZKIWLUEYSJOZ-CABCVRRESA-N 2 2 349.479 1.587 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001033227978 707897707 /nfs/dbraw/zinc/89/77/07/707897707.db2.gz HVDIMVSXGVCMDE-KRWDZBQOSA-N 2 2 343.475 1.446 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001033227978 707897710 /nfs/dbraw/zinc/89/77/10/707897710.db2.gz HVDIMVSXGVCMDE-KRWDZBQOSA-N 2 2 343.475 1.446 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC001033458978 707909781 /nfs/dbraw/zinc/90/97/81/707909781.db2.gz UOPFOMCWZSJMSX-AWEZNQCLSA-N 2 2 333.461 1.758 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC001033458978 707909782 /nfs/dbraw/zinc/90/97/82/707909782.db2.gz UOPFOMCWZSJMSX-AWEZNQCLSA-N 2 2 333.461 1.758 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001033466338 707923859 /nfs/dbraw/zinc/92/38/59/707923859.db2.gz JRSHKVOWGVNNME-LSDHHAIUSA-N 2 2 349.479 1.016 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC001033466338 707923861 /nfs/dbraw/zinc/92/38/61/707923861.db2.gz JRSHKVOWGVNNME-LSDHHAIUSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(F)cn1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005011662 707929956 /nfs/dbraw/zinc/92/99/56/707929956.db2.gz UDIVXVOELUWSON-YOEHRIQHSA-N 2 2 345.422 1.977 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033476105 707936649 /nfs/dbraw/zinc/93/66/49/707936649.db2.gz ZDQXSWMORWQPTB-MRXNPFEDSA-N 2 2 341.471 1.524 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033476105 707936651 /nfs/dbraw/zinc/93/66/51/707936651.db2.gz ZDQXSWMORWQPTB-MRXNPFEDSA-N 2 2 341.471 1.524 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001033455595 707936756 /nfs/dbraw/zinc/93/67/56/707936756.db2.gz MJDPAHVFEOKIAW-JSGCOSHPSA-N 2 2 326.391 1.920 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001033455595 707936757 /nfs/dbraw/zinc/93/67/57/707936757.db2.gz MJDPAHVFEOKIAW-JSGCOSHPSA-N 2 2 326.391 1.920 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033472734 707960767 /nfs/dbraw/zinc/96/07/67/707960767.db2.gz AZINJAJHLUGOGF-SJLPKXTDSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033472734 707960769 /nfs/dbraw/zinc/96/07/69/707960769.db2.gz AZINJAJHLUGOGF-SJLPKXTDSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033472734 707960771 /nfs/dbraw/zinc/96/07/71/707960771.db2.gz AZINJAJHLUGOGF-SJLPKXTDSA-N 2 2 347.507 1.716 20 0 EDADLP C[C@@H](F)CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001000877783 708073111 /nfs/dbraw/zinc/07/31/11/708073111.db2.gz KXQVJTZRTUAUMT-ZBFHGGJFSA-N 2 2 334.439 1.942 20 0 EDADLP C[C@@H](F)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001000877783 708073112 /nfs/dbraw/zinc/07/31/12/708073112.db2.gz KXQVJTZRTUAUMT-ZBFHGGJFSA-N 2 2 334.439 1.942 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001005182122 708127946 /nfs/dbraw/zinc/12/79/46/708127946.db2.gz CTSYXKPCSRRXJT-IUODEOHRSA-N 2 2 335.452 1.456 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001005182122 708127949 /nfs/dbraw/zinc/12/79/49/708127949.db2.gz CTSYXKPCSRRXJT-IUODEOHRSA-N 2 2 335.452 1.456 20 0 EDADLP O=C(NCC1CC[NH+](CCF)CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001001684383 708181628 /nfs/dbraw/zinc/18/16/28/708181628.db2.gz KWUOOQDKEFTJFW-KRWDZBQOSA-N 2 2 341.471 1.285 20 0 EDADLP O=C(NCC1CC[NH+](CCF)CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001001684383 708181630 /nfs/dbraw/zinc/18/16/30/708181630.db2.gz KWUOOQDKEFTJFW-KRWDZBQOSA-N 2 2 341.471 1.285 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033581063 708262447 /nfs/dbraw/zinc/26/24/47/708262447.db2.gz IIUOWCQVHCGZST-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033581063 708262450 /nfs/dbraw/zinc/26/24/50/708262450.db2.gz IIUOWCQVHCGZST-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033581063 708262453 /nfs/dbraw/zinc/26/24/53/708262453.db2.gz IIUOWCQVHCGZST-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP Cc1csc(C[NH+]2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033581063 708262454 /nfs/dbraw/zinc/26/24/54/708262454.db2.gz IIUOWCQVHCGZST-CABCVRRESA-N 2 2 336.505 1.826 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1)C1CCC1 ZINC001033596269 708300960 /nfs/dbraw/zinc/30/09/60/708300960.db2.gz XLODNRVEUKGTBN-WBVHZDCISA-N 2 2 334.464 1.310 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1)C1CCC1 ZINC001033596269 708300962 /nfs/dbraw/zinc/30/09/62/708300962.db2.gz XLODNRVEUKGTBN-WBVHZDCISA-N 2 2 334.464 1.310 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001842711 708347281 /nfs/dbraw/zinc/34/72/81/708347281.db2.gz QYHYACBYLOGQOW-FVQBIDKESA-N 2 2 334.464 1.387 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)cs1 ZINC001033621607 708355149 /nfs/dbraw/zinc/35/51/49/708355149.db2.gz XKKZISGJNHISOC-OAHLLOKOSA-N 2 2 347.488 1.801 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)cs1 ZINC001033621607 708355153 /nfs/dbraw/zinc/35/51/53/708355153.db2.gz XKKZISGJNHISOC-OAHLLOKOSA-N 2 2 347.488 1.801 20 0 EDADLP O=C(NCC1CC[NH+](Cc2cnon2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001001924202 708431209 /nfs/dbraw/zinc/43/12/09/708431209.db2.gz JNQGQICVTXSDCW-IRXDYDNUSA-N 2 2 347.463 1.415 20 0 EDADLP O=C(NCC1CC[NH+](Cc2cnon2)CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001001924202 708431211 /nfs/dbraw/zinc/43/12/11/708431211.db2.gz JNQGQICVTXSDCW-IRXDYDNUSA-N 2 2 347.463 1.415 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661608 708474624 /nfs/dbraw/zinc/47/46/24/708474624.db2.gz LUQKOEFALATRDF-GJZGRUSLSA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661608 708474628 /nfs/dbraw/zinc/47/46/28/708474628.db2.gz LUQKOEFALATRDF-GJZGRUSLSA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661608 708474632 /nfs/dbraw/zinc/47/46/32/708474632.db2.gz LUQKOEFALATRDF-GJZGRUSLSA-N 2 2 346.475 1.538 20 0 EDADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2nc3c(o2)CCCC3)C1 ZINC001033661608 708474636 /nfs/dbraw/zinc/47/46/36/708474636.db2.gz LUQKOEFALATRDF-GJZGRUSLSA-N 2 2 346.475 1.538 20 0 EDADLP CC(C)c1ocnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033663227 708479889 /nfs/dbraw/zinc/47/98/89/708479889.db2.gz UQBKDJVBFYSRBL-CABCVRRESA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1ocnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033663227 708479891 /nfs/dbraw/zinc/47/98/91/708479891.db2.gz UQBKDJVBFYSRBL-CABCVRRESA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033663227 708479892 /nfs/dbraw/zinc/47/98/92/708479892.db2.gz UQBKDJVBFYSRBL-CABCVRRESA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033663227 708479893 /nfs/dbraw/zinc/47/98/93/708479893.db2.gz UQBKDJVBFYSRBL-CABCVRRESA-N 2 2 334.464 1.782 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC001001976664 708492004 /nfs/dbraw/zinc/49/20/04/708492004.db2.gz KEFKXWBVTITDPC-INIZCTEOSA-N 2 2 344.459 1.147 20 0 EDADLP Cc1cc(C)c(C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC001001976664 708492006 /nfs/dbraw/zinc/49/20/06/708492006.db2.gz KEFKXWBVTITDPC-INIZCTEOSA-N 2 2 344.459 1.147 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCC1CC[NH+](Cc2ccon2)CC1 ZINC001002043587 708534129 /nfs/dbraw/zinc/53/41/29/708534129.db2.gz SVIQUCQENSPYEU-UHFFFAOYSA-N 2 2 343.431 1.778 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033790437 708715296 /nfs/dbraw/zinc/71/52/96/708715296.db2.gz WCZAGPUAAVHFJA-HOTGVXAUSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033790437 708715298 /nfs/dbraw/zinc/71/52/98/708715298.db2.gz WCZAGPUAAVHFJA-HOTGVXAUSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033790437 708715299 /nfs/dbraw/zinc/71/52/99/708715299.db2.gz WCZAGPUAAVHFJA-HOTGVXAUSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033790437 708715301 /nfs/dbraw/zinc/71/53/01/708715301.db2.gz WCZAGPUAAVHFJA-HOTGVXAUSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033832017 708855117 /nfs/dbraw/zinc/85/51/17/708855117.db2.gz HQIYJYYGEJUGMD-MRXNPFEDSA-N 2 2 330.432 1.562 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033832017 708855120 /nfs/dbraw/zinc/85/51/20/708855120.db2.gz HQIYJYYGEJUGMD-MRXNPFEDSA-N 2 2 330.432 1.562 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033834877 708862154 /nfs/dbraw/zinc/86/21/54/708862154.db2.gz YUCLGUWCMOQTLS-INIZCTEOSA-N 2 2 330.432 1.826 20 0 EDADLP CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033834877 708862157 /nfs/dbraw/zinc/86/21/57/708862157.db2.gz YUCLGUWCMOQTLS-INIZCTEOSA-N 2 2 330.432 1.826 20 0 EDADLP C[C@@H](c1nncn1C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005407313 708937770 /nfs/dbraw/zinc/93/77/70/708937770.db2.gz PJHIGGIUIOZEAU-IJEWVQPXSA-N 2 2 348.495 1.139 20 0 EDADLP C[C@@H](c1nncn1C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005407313 708937773 /nfs/dbraw/zinc/93/77/73/708937773.db2.gz PJHIGGIUIOZEAU-IJEWVQPXSA-N 2 2 348.495 1.139 20 0 EDADLP Cc1nc(N[C@@H]2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC001061092394 708997177 /nfs/dbraw/zinc/99/71/77/708997177.db2.gz PMTWWGRVZFTSCK-CVEARBPZSA-N 2 2 331.464 1.966 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001034039936 709273126 /nfs/dbraw/zinc/27/31/26/709273126.db2.gz NXYFSDLIHWZKFQ-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001034039936 709273129 /nfs/dbraw/zinc/27/31/29/709273129.db2.gz NXYFSDLIHWZKFQ-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001034039936 709273132 /nfs/dbraw/zinc/27/31/32/709273132.db2.gz NXYFSDLIHWZKFQ-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001034039936 709273136 /nfs/dbraw/zinc/27/31/36/709273136.db2.gz NXYFSDLIHWZKFQ-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034042848 709293457 /nfs/dbraw/zinc/29/34/57/709293457.db2.gz QQSDFEGJDCUDPY-CVEARBPZSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001034042848 709293459 /nfs/dbraw/zinc/29/34/59/709293459.db2.gz QQSDFEGJDCUDPY-CVEARBPZSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001034042848 709293461 /nfs/dbraw/zinc/29/34/61/709293461.db2.gz QQSDFEGJDCUDPY-CVEARBPZSA-N 2 2 346.475 1.927 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001034042848 709293464 /nfs/dbraw/zinc/29/34/64/709293464.db2.gz QQSDFEGJDCUDPY-CVEARBPZSA-N 2 2 346.475 1.927 20 0 EDADLP COc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034138492 709388220 /nfs/dbraw/zinc/38/82/20/709388220.db2.gz PHEPXPHKXUHPST-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034138492 709388224 /nfs/dbraw/zinc/38/82/24/709388224.db2.gz PHEPXPHKXUHPST-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034138492 709388225 /nfs/dbraw/zinc/38/82/25/709388225.db2.gz PHEPXPHKXUHPST-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP COc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034138492 709388228 /nfs/dbraw/zinc/38/82/28/709388228.db2.gz PHEPXPHKXUHPST-SJORKVTESA-N 2 2 346.475 1.655 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)nc1 ZINC001002793138 709401138 /nfs/dbraw/zinc/40/11/38/709401138.db2.gz UWSSDZDMOPRBJC-KRWDZBQOSA-N 2 2 345.491 1.738 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)nc1 ZINC001002793138 709401141 /nfs/dbraw/zinc/40/11/41/709401141.db2.gz UWSSDZDMOPRBJC-KRWDZBQOSA-N 2 2 345.491 1.738 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001034132352 709402355 /nfs/dbraw/zinc/40/23/55/709402355.db2.gz RPWVZSYCJPAARP-RDJZCZTQSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034132352 709402356 /nfs/dbraw/zinc/40/23/56/709402356.db2.gz RPWVZSYCJPAARP-RDJZCZTQSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034132352 709402357 /nfs/dbraw/zinc/40/23/57/709402357.db2.gz RPWVZSYCJPAARP-RDJZCZTQSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034132352 709402358 /nfs/dbraw/zinc/40/23/58/709402358.db2.gz RPWVZSYCJPAARP-RDJZCZTQSA-N 2 2 331.464 1.350 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nccn3CC)CC2)CC[N@@H+]1C ZINC001002859782 709468220 /nfs/dbraw/zinc/46/82/20/709468220.db2.gz UCIPLAZHTJRLDJ-DLBZAZTESA-N 2 2 347.507 1.714 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3nccn3CC)CC2)CC[N@H+]1C ZINC001002859782 709468222 /nfs/dbraw/zinc/46/82/22/709468222.db2.gz UCIPLAZHTJRLDJ-DLBZAZTESA-N 2 2 347.507 1.714 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034205326 709527971 /nfs/dbraw/zinc/52/79/71/709527971.db2.gz VLOGEOFKHFAGMV-AEFFLSMTSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034205326 709527974 /nfs/dbraw/zinc/52/79/74/709527974.db2.gz VLOGEOFKHFAGMV-AEFFLSMTSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034205326 709527976 /nfs/dbraw/zinc/52/79/76/709527976.db2.gz VLOGEOFKHFAGMV-AEFFLSMTSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034205326 709527978 /nfs/dbraw/zinc/52/79/78/709527978.db2.gz VLOGEOFKHFAGMV-AEFFLSMTSA-N 2 2 347.507 1.764 20 0 EDADLP Cn1ccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034208235 709557427 /nfs/dbraw/zinc/55/74/27/709557427.db2.gz SEMOECPOKYZOMB-SJORKVTESA-N 2 2 345.491 1.233 20 0 EDADLP Cn1ccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034208235 709557429 /nfs/dbraw/zinc/55/74/29/709557429.db2.gz SEMOECPOKYZOMB-SJORKVTESA-N 2 2 345.491 1.233 20 0 EDADLP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)OC ZINC001005534386 709689343 /nfs/dbraw/zinc/68/93/43/709689343.db2.gz XZEQVBMMOQUKGQ-BZUAXINKSA-N 2 2 334.464 1.861 20 0 EDADLP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)OC ZINC001005534386 709689344 /nfs/dbraw/zinc/68/93/44/709689344.db2.gz XZEQVBMMOQUKGQ-BZUAXINKSA-N 2 2 334.464 1.861 20 0 EDADLP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282687 709701152 /nfs/dbraw/zinc/70/11/52/709701152.db2.gz RDVXSSAFFRLLHX-UONOGXRCSA-N 2 2 338.452 1.355 20 0 EDADLP COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282687 709701157 /nfs/dbraw/zinc/70/11/57/709701157.db2.gz RDVXSSAFFRLLHX-UONOGXRCSA-N 2 2 338.452 1.355 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378097 709899303 /nfs/dbraw/zinc/89/93/03/709899303.db2.gz PVTSNVHCCCORHW-MRXNPFEDSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034378097 709899310 /nfs/dbraw/zinc/89/93/10/709899310.db2.gz PVTSNVHCCCORHW-MRXNPFEDSA-N 2 2 334.464 1.796 20 0 EDADLP CNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426852 709962590 /nfs/dbraw/zinc/96/25/90/709962590.db2.gz QFGRGVBVDSURLJ-GJZGRUSLSA-N 2 2 349.479 1.112 20 0 EDADLP CNC(=O)[C@H](C)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001034426852 709962592 /nfs/dbraw/zinc/96/25/92/709962592.db2.gz QFGRGVBVDSURLJ-GJZGRUSLSA-N 2 2 349.479 1.112 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)n1 ZINC001003147730 710046876 /nfs/dbraw/zinc/04/68/76/710046876.db2.gz YAVWATCLCJXFCM-QZTJIDSGSA-N 2 2 345.491 1.518 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)n1 ZINC001003147730 710046880 /nfs/dbraw/zinc/04/68/80/710046880.db2.gz YAVWATCLCJXFCM-QZTJIDSGSA-N 2 2 345.491 1.518 20 0 EDADLP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001003179312 710094881 /nfs/dbraw/zinc/09/48/81/710094881.db2.gz HNUZLRNMHUPBEG-MRXNPFEDSA-N 2 2 339.443 1.621 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1)OC ZINC001003211588 710123085 /nfs/dbraw/zinc/12/30/85/710123085.db2.gz VLICCXCWSGEDQN-ZBFHGGJFSA-N 2 2 348.491 1.829 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1)OC ZINC001003211588 710123089 /nfs/dbraw/zinc/12/30/89/710123089.db2.gz VLICCXCWSGEDQN-ZBFHGGJFSA-N 2 2 348.491 1.829 20 0 EDADLP Cc1nocc1C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034529653 710185402 /nfs/dbraw/zinc/18/54/02/710185402.db2.gz LRRUUBQMJFSCNP-INIZCTEOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034529653 710185404 /nfs/dbraw/zinc/18/54/04/710185404.db2.gz LRRUUBQMJFSCNP-INIZCTEOSA-N 2 2 331.420 1.659 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CCc2ccns2)C1 ZINC001034546690 710220193 /nfs/dbraw/zinc/22/01/93/710220193.db2.gz IHJNQEZEENXYII-AWEZNQCLSA-N 2 2 333.461 1.553 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CCc2ccns2)C1 ZINC001034546690 710220194 /nfs/dbraw/zinc/22/01/94/710220194.db2.gz IHJNQEZEENXYII-AWEZNQCLSA-N 2 2 333.461 1.553 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001034547490 710221929 /nfs/dbraw/zinc/22/19/29/710221929.db2.gz SAIJEICDNNFIKU-KRWDZBQOSA-N 2 2 344.463 1.367 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001034547490 710221931 /nfs/dbraw/zinc/22/19/31/710221931.db2.gz SAIJEICDNNFIKU-KRWDZBQOSA-N 2 2 344.463 1.367 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC001003312452 710241112 /nfs/dbraw/zinc/24/11/12/710241112.db2.gz OAKDFAQSPSVJDY-UHFFFAOYSA-N 2 2 331.395 1.506 20 0 EDADLP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)n1 ZINC001034665259 710334408 /nfs/dbraw/zinc/33/44/08/710334408.db2.gz FLDXEOMMGUHISZ-RRCSTGOVSA-N 2 2 342.447 1.464 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC001034692370 710780518 /nfs/dbraw/zinc/78/05/18/710780518.db2.gz IXXZWKYNNKKZTK-BPLDGKMQSA-N 2 2 346.435 1.661 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC001034693271 710783382 /nfs/dbraw/zinc/78/33/82/710783382.db2.gz VWXDUZZOSGWBDM-QEJZJMRPSA-N 2 2 345.451 1.396 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)cs1 ZINC001034745514 710963450 /nfs/dbraw/zinc/96/34/50/710963450.db2.gz KTWBEGMPWYQJJT-JOCQHMNTSA-N 2 2 333.461 1.934 20 0 EDADLP CCn1nnc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034764360 711039381 /nfs/dbraw/zinc/03/93/81/711039381.db2.gz SBYFOPNBSWHDTN-HDJSIYSDSA-N 2 2 345.451 1.089 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034776689 711054075 /nfs/dbraw/zinc/05/40/75/711054075.db2.gz XQUUSNNRBITFBK-HAQNSBGRSA-N 2 2 334.449 1.031 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC001034786355 711090872 /nfs/dbraw/zinc/09/08/72/711090872.db2.gz NDTGXKHRGZAUHJ-QCEMKRCNSA-N 2 2 334.464 1.845 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)on1 ZINC001034801533 711141827 /nfs/dbraw/zinc/14/18/27/711141827.db2.gz LQSABOVAMLFKSL-JOCQHMNTSA-N 2 2 333.392 1.097 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003977929 711152390 /nfs/dbraw/zinc/15/23/90/711152390.db2.gz ZSZJSFLBAHPROA-LSDHHAIUSA-N 2 2 331.464 1.460 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003977929 711152394 /nfs/dbraw/zinc/15/23/94/711152394.db2.gz ZSZJSFLBAHPROA-LSDHHAIUSA-N 2 2 331.464 1.460 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001003983204 711181862 /nfs/dbraw/zinc/18/18/62/711181862.db2.gz IDFCHMJVWPCIIY-CYBMUJFWSA-N 2 2 347.463 1.369 20 0 EDADLP Cc1cnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)o1 ZINC001034831010 711237159 /nfs/dbraw/zinc/23/71/59/711237159.db2.gz HKILVUVJSUKEHX-QGZVFWFLSA-N 2 2 342.443 1.841 20 0 EDADLP Cc1cnc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)o1 ZINC001034831010 711237162 /nfs/dbraw/zinc/23/71/62/711237162.db2.gz HKILVUVJSUKEHX-QGZVFWFLSA-N 2 2 342.443 1.841 20 0 EDADLP CC(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001034883292 711285120 /nfs/dbraw/zinc/28/51/20/711285120.db2.gz PTAZKYQBMDPAPZ-ZIAGYGMSSA-N 2 2 335.452 1.368 20 0 EDADLP CC(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001034883292 711285122 /nfs/dbraw/zinc/28/51/22/711285122.db2.gz PTAZKYQBMDPAPZ-ZIAGYGMSSA-N 2 2 335.452 1.368 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC001034883182 711285195 /nfs/dbraw/zinc/28/51/95/711285195.db2.gz OJQDVTZCKVQPNZ-ZIAGYGMSSA-N 2 2 348.495 1.277 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC001034883182 711285197 /nfs/dbraw/zinc/28/51/97/711285197.db2.gz OJQDVTZCKVQPNZ-ZIAGYGMSSA-N 2 2 348.495 1.277 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001034959654 711434688 /nfs/dbraw/zinc/43/46/88/711434688.db2.gz FLRPSDHKNLZLQZ-RHSMWYFYSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001034936795 711437106 /nfs/dbraw/zinc/43/71/06/711437106.db2.gz WSDZRIUTDYZIPP-CVEARBPZSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001034936795 711437108 /nfs/dbraw/zinc/43/71/08/711437108.db2.gz WSDZRIUTDYZIPP-CVEARBPZSA-N 2 2 334.464 1.936 20 0 EDADLP CC(C)c1cnc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001004149803 711564757 /nfs/dbraw/zinc/56/47/57/711564757.db2.gz NUVQDNIAAIQADM-AWEZNQCLSA-N 2 2 334.464 1.830 20 0 EDADLP CC(C)c1cnc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001004149803 711564759 /nfs/dbraw/zinc/56/47/59/711564759.db2.gz NUVQDNIAAIQADM-AWEZNQCLSA-N 2 2 334.464 1.830 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001033151117 712117648 /nfs/dbraw/zinc/11/76/48/712117648.db2.gz IIMSTANHVSQLPT-MSOLQXFVSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001033151117 712117651 /nfs/dbraw/zinc/11/76/51/712117651.db2.gz IIMSTANHVSQLPT-MSOLQXFVSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033151117 712117654 /nfs/dbraw/zinc/11/76/54/712117654.db2.gz IIMSTANHVSQLPT-MSOLQXFVSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033151117 712117657 /nfs/dbraw/zinc/11/76/57/712117657.db2.gz IIMSTANHVSQLPT-MSOLQXFVSA-N 2 2 347.507 1.716 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000173180070 282224115 /nfs/dbraw/zinc/22/41/15/282224115.db2.gz FHGUHHGEZPXBIT-QAPCUYQASA-N 2 2 337.508 1.724 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000173180070 282224118 /nfs/dbraw/zinc/22/41/18/282224118.db2.gz FHGUHHGEZPXBIT-QAPCUYQASA-N 2 2 337.508 1.724 20 0 EDADLP COCC(COC)[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000412434233 304007923 /nfs/dbraw/zinc/00/79/23/304007923.db2.gz GSMIOAZSJGZZDO-XHSDSOJGSA-N 2 2 341.496 1.053 20 0 EDADLP COCC(COC)[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000412434233 304007925 /nfs/dbraw/zinc/00/79/25/304007925.db2.gz GSMIOAZSJGZZDO-XHSDSOJGSA-N 2 2 341.496 1.053 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000337452902 539690411 /nfs/dbraw/zinc/69/04/11/539690411.db2.gz UTUZTHJEFYKFNO-TWMKSMIVSA-N 2 2 326.481 1.395 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000337452902 539690414 /nfs/dbraw/zinc/69/04/14/539690414.db2.gz UTUZTHJEFYKFNO-TWMKSMIVSA-N 2 2 326.481 1.395 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000561314038 306286989 /nfs/dbraw/zinc/28/69/89/306286989.db2.gz RDFCEKAGRFRWSJ-OCCSQVGLSA-N 2 2 345.896 1.466 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000561314038 306286990 /nfs/dbraw/zinc/28/69/90/306286990.db2.gz RDFCEKAGRFRWSJ-OCCSQVGLSA-N 2 2 345.896 1.466 20 0 EDADLP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000562370486 306296635 /nfs/dbraw/zinc/29/66/35/306296635.db2.gz PPXNSZSODOMAQF-AWEZNQCLSA-N 2 2 343.431 1.958 20 0 EDADLP OCC[N@H+](CCN1CCOCC1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346118025 539847147 /nfs/dbraw/zinc/84/71/47/539847147.db2.gz BXGIFMYWAKZQGY-UHFFFAOYSA-N 2 2 336.461 1.060 20 0 EDADLP OCC[N@@H+](CCN1CCOCC1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346118025 539847149 /nfs/dbraw/zinc/84/71/49/539847149.db2.gz BXGIFMYWAKZQGY-UHFFFAOYSA-N 2 2 336.461 1.060 20 0 EDADLP Cc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)nc(C2CC2)[nH+]1 ZINC000562705473 306306278 /nfs/dbraw/zinc/30/62/78/306306278.db2.gz BSDNTOKEGOWYGC-HNNXBMFYSA-N 2 2 329.448 1.453 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000562794505 306309278 /nfs/dbraw/zinc/30/92/78/306309278.db2.gz HGJMSCCDMFXNMU-KURKYZTESA-N 2 2 344.459 1.063 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000412832279 304038793 /nfs/dbraw/zinc/03/87/93/304038793.db2.gz DBEYDCGPYFSJAX-SJORKVTESA-N 2 2 333.501 1.987 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000412832279 304038795 /nfs/dbraw/zinc/03/87/95/304038795.db2.gz DBEYDCGPYFSJAX-SJORKVTESA-N 2 2 333.501 1.987 20 0 EDADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000163731410 540056090 /nfs/dbraw/zinc/05/60/90/540056090.db2.gz RTWMVTLBVFJOIB-CQSZACIVSA-N 2 2 330.436 1.424 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000279210675 540067037 /nfs/dbraw/zinc/06/70/37/540067037.db2.gz NUIBXVRVAYVQCH-QGZVFWFLSA-N 2 2 328.416 1.360 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000279210675 540067040 /nfs/dbraw/zinc/06/70/40/540067040.db2.gz NUIBXVRVAYVQCH-QGZVFWFLSA-N 2 2 328.416 1.360 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC2 ZINC000563264104 306325340 /nfs/dbraw/zinc/32/53/40/306325340.db2.gz NTAUESDPDKDMMG-INIZCTEOSA-N 2 2 335.496 1.096 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC2 ZINC000563264104 306325341 /nfs/dbraw/zinc/32/53/41/306325341.db2.gz NTAUESDPDKDMMG-INIZCTEOSA-N 2 2 335.496 1.096 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)CC2 ZINC000563264104 306325342 /nfs/dbraw/zinc/32/53/42/306325342.db2.gz NTAUESDPDKDMMG-INIZCTEOSA-N 2 2 335.496 1.096 20 0 EDADLP CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167075227 540079025 /nfs/dbraw/zinc/07/90/25/540079025.db2.gz MANNMNKWNHFPTB-DLBZAZTESA-N 2 2 345.553 1.995 20 0 EDADLP CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167075227 540079028 /nfs/dbraw/zinc/07/90/28/540079028.db2.gz MANNMNKWNHFPTB-DLBZAZTESA-N 2 2 345.553 1.995 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000066704768 138180899 /nfs/dbraw/zinc/18/08/99/138180899.db2.gz HXKXJXOCVAIASV-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000066704768 138180902 /nfs/dbraw/zinc/18/09/02/138180902.db2.gz HXKXJXOCVAIASV-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CC(C)(C)C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000066973856 138183546 /nfs/dbraw/zinc/18/35/46/138183546.db2.gz DPQYONLJPLJTBS-UHFFFAOYSA-N 2 2 340.493 1.169 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H](O)c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000074067621 138224336 /nfs/dbraw/zinc/22/43/36/138224336.db2.gz IYXKIOVJDRKRAG-GOSISDBHSA-N 2 2 345.487 1.787 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1F ZINC000038031120 202089755 /nfs/dbraw/zinc/08/97/55/202089755.db2.gz XEYMRKYSWZEQAH-UHFFFAOYSA-N 2 2 344.228 1.452 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1F ZINC000038031120 202089759 /nfs/dbraw/zinc/08/97/59/202089759.db2.gz XEYMRKYSWZEQAH-UHFFFAOYSA-N 2 2 344.228 1.452 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000413377589 304058643 /nfs/dbraw/zinc/05/86/43/304058643.db2.gz DIHVVDZCRLQEOO-UHFFFAOYSA-N 2 2 331.420 1.244 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000091509997 138284052 /nfs/dbraw/zinc/28/40/52/138284052.db2.gz RXAUYBDCBKDASJ-FHWLQOOXSA-N 2 2 338.540 1.198 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1C ZINC000093046747 138291266 /nfs/dbraw/zinc/29/12/66/138291266.db2.gz GQQRUWNUERWATN-UHFFFAOYSA-N 2 2 333.480 1.260 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000093204763 138292606 /nfs/dbraw/zinc/29/26/06/138292606.db2.gz BBGQGXJDKRBETJ-CQSZACIVSA-N 2 2 337.851 1.567 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000093204763 138292607 /nfs/dbraw/zinc/29/26/07/138292607.db2.gz BBGQGXJDKRBETJ-CQSZACIVSA-N 2 2 337.851 1.567 20 0 EDADLP Cc1cc(C)n2c(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cnc2n1 ZINC000093664622 138294473 /nfs/dbraw/zinc/29/44/73/138294473.db2.gz JGGMLLCJDAVUFP-INIZCTEOSA-N 2 2 329.448 1.500 20 0 EDADLP Cc1cc(C)n2c(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cnc2n1 ZINC000093664622 138294474 /nfs/dbraw/zinc/29/44/74/138294474.db2.gz JGGMLLCJDAVUFP-INIZCTEOSA-N 2 2 329.448 1.500 20 0 EDADLP CC[C@@H](C)[C@H](O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114949612 138310867 /nfs/dbraw/zinc/31/08/67/138310867.db2.gz AMFSVOPBJYMTNW-RHSMWYFYSA-N 2 2 340.512 1.251 20 0 EDADLP CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563593381 306340622 /nfs/dbraw/zinc/34/06/22/306340622.db2.gz LTYDYBWDYQOABU-BRWVUGGUSA-N 2 2 340.512 1.645 20 0 EDADLP CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563593381 306340623 /nfs/dbraw/zinc/34/06/23/306340623.db2.gz LTYDYBWDYQOABU-BRWVUGGUSA-N 2 2 340.512 1.645 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000130893777 138349275 /nfs/dbraw/zinc/34/92/75/138349275.db2.gz UDINFKMUWZJAAU-KRWDZBQOSA-N 2 2 349.523 1.871 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000130893777 138349276 /nfs/dbraw/zinc/34/92/76/138349276.db2.gz UDINFKMUWZJAAU-KRWDZBQOSA-N 2 2 349.523 1.871 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000130893777 138349277 /nfs/dbraw/zinc/34/92/77/138349277.db2.gz UDINFKMUWZJAAU-KRWDZBQOSA-N 2 2 349.523 1.871 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000130893777 138349278 /nfs/dbraw/zinc/34/92/78/138349278.db2.gz UDINFKMUWZJAAU-KRWDZBQOSA-N 2 2 349.523 1.871 20 0 EDADLP COc1c(N)[nH+]cnc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000563730908 306346371 /nfs/dbraw/zinc/34/63/71/306346371.db2.gz KFIMRIZUVSYMSS-LBPRGKRZSA-N 2 2 328.420 1.984 20 0 EDADLP COc1c(N)nc[nH+]c1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000563730908 306346372 /nfs/dbraw/zinc/34/63/72/306346372.db2.gz KFIMRIZUVSYMSS-LBPRGKRZSA-N 2 2 328.420 1.984 20 0 EDADLP NC(=O)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000180641119 283343552 /nfs/dbraw/zinc/34/35/52/283343552.db2.gz XWPIKVYCTFKOML-RBUKOAKNSA-N 2 2 339.439 1.569 20 0 EDADLP NC(=O)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000180641119 283343553 /nfs/dbraw/zinc/34/35/53/283343553.db2.gz XWPIKVYCTFKOML-RBUKOAKNSA-N 2 2 339.439 1.569 20 0 EDADLP Cc1[nH+]cc(CNc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)n1C ZINC000564227834 306357807 /nfs/dbraw/zinc/35/78/07/306357807.db2.gz RRDAHRGONKOZBZ-UHFFFAOYSA-N 2 2 341.459 1.657 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000413844132 304080232 /nfs/dbraw/zinc/08/02/32/304080232.db2.gz LFSNDQUWGPCYHE-ZACQAIPSSA-N 2 2 338.540 1.780 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2c(F)cc(F)c(F)c2F)[C@@H](C[NH3+])C1 ZINC000564716865 306363353 /nfs/dbraw/zinc/36/33/53/306363353.db2.gz YHIRIKDMIKNODR-QMMMGPOBSA-N 2 2 334.317 1.027 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2c(F)cc(F)c(F)c2F)[C@@H](C[NH3+])C1 ZINC000564716865 306363354 /nfs/dbraw/zinc/36/33/54/306363354.db2.gz YHIRIKDMIKNODR-QMMMGPOBSA-N 2 2 334.317 1.027 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000564793284 306364960 /nfs/dbraw/zinc/36/49/60/306364960.db2.gz HXWPGUPROFZSDZ-SMDDNHRTSA-N 2 2 340.265 1.767 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2cccc(OC(F)F)c2)[C@H](C[NH3+])C1 ZINC000564944342 306370824 /nfs/dbraw/zinc/37/08/24/306370824.db2.gz RREXEQGOZPKFDB-CYBMUJFWSA-N 2 2 327.375 1.322 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2cccc(OC(F)F)c2)[C@H](C[NH3+])C1 ZINC000564944342 306370825 /nfs/dbraw/zinc/37/08/25/306370825.db2.gz RREXEQGOZPKFDB-CYBMUJFWSA-N 2 2 327.375 1.322 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4n[nH]nc4c3)CC2)CC1 ZINC000050800506 201125237 /nfs/dbraw/zinc/12/52/37/201125237.db2.gz WQPLLNOUWXYFOK-UHFFFAOYSA-N 2 2 342.447 1.246 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)C[NH+]1CCOCC1 ZINC000565946451 306395011 /nfs/dbraw/zinc/39/50/11/306395011.db2.gz SSNGVOQCNXMEQV-RHSMWYFYSA-N 2 2 326.868 1.801 20 0 EDADLP C[N@@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C[C@H](O)C[NH3+] ZINC000415066851 304156509 /nfs/dbraw/zinc/15/65/09/304156509.db2.gz JLGRFVXEFLZDQS-QGZVFWFLSA-N 2 2 330.476 1.980 20 0 EDADLP C[N@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C[C@H](O)C[NH3+] ZINC000415066851 304156511 /nfs/dbraw/zinc/15/65/11/304156511.db2.gz JLGRFVXEFLZDQS-QGZVFWFLSA-N 2 2 330.476 1.980 20 0 EDADLP Cc1nn(C)c(Cl)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000101691756 204019299 /nfs/dbraw/zinc/01/92/99/204019299.db2.gz HJJGJBOEGDRYIW-UHFFFAOYSA-N 2 2 341.887 1.480 20 0 EDADLP Cc1nn(C)c(Cl)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000101691756 204019304 /nfs/dbraw/zinc/01/93/04/204019304.db2.gz HJJGJBOEGDRYIW-UHFFFAOYSA-N 2 2 341.887 1.480 20 0 EDADLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000567229196 306443116 /nfs/dbraw/zinc/44/31/16/306443116.db2.gz YTSRAUVUEZALIF-CQSZACIVSA-N 2 2 346.387 1.657 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000111841616 204374877 /nfs/dbraw/zinc/37/48/77/204374877.db2.gz KPOCKVVLYAEWFV-AWEZNQCLSA-N 2 2 337.493 1.373 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000111841616 204374881 /nfs/dbraw/zinc/37/48/81/204374881.db2.gz KPOCKVVLYAEWFV-AWEZNQCLSA-N 2 2 337.493 1.373 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000195147142 139007795 /nfs/dbraw/zinc/00/77/95/139007795.db2.gz KEFLQUWOKRGKIN-SFHVURJKSA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000195147142 139007796 /nfs/dbraw/zinc/00/77/96/139007796.db2.gz KEFLQUWOKRGKIN-SFHVURJKSA-N 2 2 338.455 1.973 20 0 EDADLP C[C@@H](c1cccc(NC(=O)NCC(F)(F)C[NH3+])c1)[NH+]1CCOCC1 ZINC000415147675 304165210 /nfs/dbraw/zinc/16/52/10/304165210.db2.gz IIIRRTDBOMZGJB-LBPRGKRZSA-N 2 2 342.390 1.795 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515780 139018838 /nfs/dbraw/zinc/01/88/38/139018838.db2.gz ZSNNQTAMSZWSHC-HNNXBMFYSA-N 2 2 348.447 1.275 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515780 139018839 /nfs/dbraw/zinc/01/88/39/139018839.db2.gz ZSNNQTAMSZWSHC-HNNXBMFYSA-N 2 2 348.447 1.275 20 0 EDADLP CCOc1nnc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)s1 ZINC000451997733 305377188 /nfs/dbraw/zinc/37/71/88/305377188.db2.gz ZQLHFSOJUPGEII-UHFFFAOYSA-N 2 2 327.498 1.443 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000236901868 139034631 /nfs/dbraw/zinc/03/46/31/139034631.db2.gz DZLQZVPOUSLMII-FUHWJXTLSA-N 2 2 333.476 1.863 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CSC[NH2+]3)cc2)CC1 ZINC000236960279 139036627 /nfs/dbraw/zinc/03/66/27/139036627.db2.gz YSMDNATVIWLOCQ-QGZVFWFLSA-N 2 2 348.516 1.103 20 0 EDADLP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CSC[NH2+]3)cc2)CC1 ZINC000236960279 139036628 /nfs/dbraw/zinc/03/66/28/139036628.db2.gz YSMDNATVIWLOCQ-QGZVFWFLSA-N 2 2 348.516 1.103 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000237245998 139045671 /nfs/dbraw/zinc/04/56/71/139045671.db2.gz IJCGOPKNHKOMEZ-CYBMUJFWSA-N 2 2 332.404 1.907 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C[NH3+])cc3)c[nH+]2)CCO1 ZINC000237442739 139051420 /nfs/dbraw/zinc/05/14/20/139051420.db2.gz XNBOBZRYLLRXEM-CQSZACIVSA-N 2 2 340.427 1.695 20 0 EDADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](CC2CC2)CC1 ZINC000131732134 205300838 /nfs/dbraw/zinc/30/08/38/205300838.db2.gz CHTDMMFTFOKAIR-LJQANCHMSA-N 2 2 343.471 1.442 20 0 EDADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](CC2CC2)CC1 ZINC000131732134 205300842 /nfs/dbraw/zinc/30/08/42/205300842.db2.gz CHTDMMFTFOKAIR-LJQANCHMSA-N 2 2 343.471 1.442 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000237904839 139063440 /nfs/dbraw/zinc/06/34/40/139063440.db2.gz WLQNCGAKQUQATF-INIZCTEOSA-N 2 2 332.448 1.457 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245442622 139075035 /nfs/dbraw/zinc/07/50/35/139075035.db2.gz WLQBNZRTDDLIRD-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[C@H](C(=O)OC)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245442622 139075036 /nfs/dbraw/zinc/07/50/36/139075036.db2.gz WLQBNZRTDDLIRD-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000245654199 139082241 /nfs/dbraw/zinc/08/22/41/139082241.db2.gz NRMNCBFVVORLMP-DLBZAZTESA-N 2 2 332.448 1.063 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000245654199 139082242 /nfs/dbraw/zinc/08/22/42/139082242.db2.gz NRMNCBFVVORLMP-DLBZAZTESA-N 2 2 332.448 1.063 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767217 139085762 /nfs/dbraw/zinc/08/57/62/139085762.db2.gz QZGHLOABWREZOV-WMZOPIPTSA-N 3 2 346.523 1.391 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767217 139085763 /nfs/dbraw/zinc/08/57/63/139085763.db2.gz QZGHLOABWREZOV-WMZOPIPTSA-N 3 2 346.523 1.391 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767217 139085764 /nfs/dbraw/zinc/08/57/64/139085764.db2.gz QZGHLOABWREZOV-WMZOPIPTSA-N 3 2 346.523 1.391 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767217 139085765 /nfs/dbraw/zinc/08/57/65/139085765.db2.gz QZGHLOABWREZOV-WMZOPIPTSA-N 3 2 346.523 1.391 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000245809517 139086493 /nfs/dbraw/zinc/08/64/93/139086493.db2.gz OBADFSNFXYRHFJ-OKZBNKHCSA-N 2 2 338.540 1.782 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000245809517 139086494 /nfs/dbraw/zinc/08/64/94/139086494.db2.gz OBADFSNFXYRHFJ-OKZBNKHCSA-N 2 2 338.540 1.782 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158751404 206206787 /nfs/dbraw/zinc/20/67/87/206206787.db2.gz WZDHBQANGGUZPD-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158751404 206206791 /nfs/dbraw/zinc/20/67/91/206206791.db2.gz WZDHBQANGGUZPD-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158751404 206206796 /nfs/dbraw/zinc/20/67/96/206206796.db2.gz WZDHBQANGGUZPD-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158751404 206206800 /nfs/dbraw/zinc/20/68/00/206206800.db2.gz WZDHBQANGGUZPD-MOPGFXCFSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000246050634 139093149 /nfs/dbraw/zinc/09/31/49/139093149.db2.gz BCFMDWLIMMPUMW-OWCLPIDISA-N 2 2 325.497 1.628 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246399766 139106837 /nfs/dbraw/zinc/10/68/37/139106837.db2.gz QLAIWOFNIDOOQU-KGLIPLIRSA-N 2 2 332.448 1.257 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246399766 139106838 /nfs/dbraw/zinc/10/68/38/139106838.db2.gz QLAIWOFNIDOOQU-KGLIPLIRSA-N 2 2 332.448 1.257 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000246426895 139107877 /nfs/dbraw/zinc/10/78/77/139107877.db2.gz MTGUQYHPDKSKKX-MUJYYYPQSA-N 2 2 337.508 1.865 20 0 EDADLP C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000246732853 139119356 /nfs/dbraw/zinc/11/93/56/139119356.db2.gz NGENJAYFEFVANO-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000246732853 139119357 /nfs/dbraw/zinc/11/93/57/139119357.db2.gz NGENJAYFEFVANO-UYAOXDASSA-N 2 2 347.503 1.276 20 0 EDADLP CCc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000568033166 306470047 /nfs/dbraw/zinc/47/00/47/306470047.db2.gz DCHLBQCKKJVZNX-SFHVURJKSA-N 2 2 331.460 1.272 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415311911 304191621 /nfs/dbraw/zinc/19/16/21/304191621.db2.gz FCSSOGSEMOYOCQ-GFCCVEGCSA-N 2 2 343.378 1.331 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273409 139143148 /nfs/dbraw/zinc/14/31/48/139143148.db2.gz SJNUDQWHQNFHKW-CZUORRHYSA-N 2 2 330.432 1.140 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273409 139143149 /nfs/dbraw/zinc/14/31/49/139143149.db2.gz SJNUDQWHQNFHKW-CZUORRHYSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273409 139143150 /nfs/dbraw/zinc/14/31/50/139143150.db2.gz SJNUDQWHQNFHKW-CZUORRHYSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273409 139143151 /nfs/dbraw/zinc/14/31/51/139143151.db2.gz SJNUDQWHQNFHKW-CZUORRHYSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247541929 139151827 /nfs/dbraw/zinc/15/18/27/139151827.db2.gz KBEODHHRWGLFAT-MGPQQGTHSA-N 2 2 335.452 1.779 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247541929 139151828 /nfs/dbraw/zinc/15/18/28/139151828.db2.gz KBEODHHRWGLFAT-MGPQQGTHSA-N 2 2 335.452 1.779 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000250283096 139200786 /nfs/dbraw/zinc/20/07/86/139200786.db2.gz HXGJIRDVTMOCQX-QWHCGFSZSA-N 2 2 334.420 1.265 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000250283096 139200787 /nfs/dbraw/zinc/20/07/87/139200787.db2.gz HXGJIRDVTMOCQX-QWHCGFSZSA-N 2 2 334.420 1.265 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000252652710 139204922 /nfs/dbraw/zinc/20/49/22/139204922.db2.gz FDONYLPPAHHUAK-HYVNUMGLSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000252652710 139204923 /nfs/dbraw/zinc/20/49/23/139204923.db2.gz FDONYLPPAHHUAK-HYVNUMGLSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000252652710 139204924 /nfs/dbraw/zinc/20/49/24/139204924.db2.gz FDONYLPPAHHUAK-HYVNUMGLSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000252652710 139204925 /nfs/dbraw/zinc/20/49/25/139204925.db2.gz FDONYLPPAHHUAK-HYVNUMGLSA-N 2 2 344.459 1.556 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000261700040 139218782 /nfs/dbraw/zinc/21/87/82/139218782.db2.gz IGTIJZZEOIIZAI-KZNAEPCWSA-N 2 2 331.460 1.239 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1 ZINC000569116244 306497063 /nfs/dbraw/zinc/49/70/63/306497063.db2.gz CEWQXAORKIQOMO-LJQANCHMSA-N 2 2 340.427 1.367 20 0 EDADLP C[C@@]1(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)CC[NH2+]C1 ZINC000261759794 139223678 /nfs/dbraw/zinc/22/36/78/139223678.db2.gz LFNOWORPZJKTOP-QGZVFWFLSA-N 2 2 347.488 1.915 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)o1 ZINC000261761577 139223802 /nfs/dbraw/zinc/22/38/02/139223802.db2.gz OJIGWURYGOVGOH-UHFFFAOYSA-N 2 2 345.403 1.141 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000261778075 139225187 /nfs/dbraw/zinc/22/51/87/139225187.db2.gz FFSRBLSTZOLVDG-CQSZACIVSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000261778075 139225188 /nfs/dbraw/zinc/22/51/88/139225188.db2.gz FFSRBLSTZOLVDG-CQSZACIVSA-N 2 2 325.815 1.875 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000261775051 139224978 /nfs/dbraw/zinc/22/49/78/139224978.db2.gz OQRBVQPBWYTULL-DOTOQJQBSA-N 2 2 341.459 1.496 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261806921 139227577 /nfs/dbraw/zinc/22/75/77/139227577.db2.gz WMFLEBIERZUARG-PXAZEXFGSA-N 2 2 325.403 1.683 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261806921 139227578 /nfs/dbraw/zinc/22/75/78/139227578.db2.gz WMFLEBIERZUARG-PXAZEXFGSA-N 2 2 325.403 1.683 20 0 EDADLP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccsc2C(=O)OC)CC1 ZINC000261964840 139240338 /nfs/dbraw/zinc/24/03/38/139240338.db2.gz PFYJMJJWPNIHQN-UHFFFAOYSA-N 2 2 325.434 1.405 20 0 EDADLP [NH3+][C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1CCOCC1 ZINC000261971890 139240927 /nfs/dbraw/zinc/24/09/27/139240927.db2.gz LPWRKWPBQCUFIU-INIZCTEOSA-N 2 2 332.379 1.382 20 0 EDADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000262171525 139257135 /nfs/dbraw/zinc/25/71/35/139257135.db2.gz VFZXVHMKZIMYOE-NUEKZKHPSA-N 2 2 340.851 1.568 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(N)=O)[C@H](C)C1 ZINC000174774510 207056219 /nfs/dbraw/zinc/05/62/19/207056219.db2.gz JSRLMPCKQHHFDU-CZUORRHYSA-N 2 2 332.448 1.386 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(N)=O)[C@H](C)C1 ZINC000174774510 207056223 /nfs/dbraw/zinc/05/62/23/207056223.db2.gz JSRLMPCKQHHFDU-CZUORRHYSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2C(N)=O)[C@H](C)C1 ZINC000174774510 207056226 /nfs/dbraw/zinc/05/62/26/207056226.db2.gz JSRLMPCKQHHFDU-CZUORRHYSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2C(N)=O)[C@H](C)C1 ZINC000174774510 207056230 /nfs/dbraw/zinc/05/62/30/207056230.db2.gz JSRLMPCKQHHFDU-CZUORRHYSA-N 2 2 332.448 1.386 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000416039086 251050548 /nfs/dbraw/zinc/05/05/48/251050548.db2.gz FYUKDMYPXAUBES-CYBMUJFWSA-N 2 2 345.369 1.501 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C(F)(F)F ZINC000416009850 251046183 /nfs/dbraw/zinc/04/61/83/251046183.db2.gz PLCPGLJFCNTHTN-VXGBXAGGSA-N 2 2 332.326 1.524 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000262306572 139268641 /nfs/dbraw/zinc/26/86/41/139268641.db2.gz MLQQQJKMTWBRGN-IBGZPJMESA-N 2 2 349.475 1.736 20 0 EDADLP C[C@@H](CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000262308273 139268677 /nfs/dbraw/zinc/26/86/77/139268677.db2.gz YOAVQZZVTYQHGM-DOTOQJQBSA-N 2 2 346.475 1.560 20 0 EDADLP [NH3+]C1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000416882888 251117980 /nfs/dbraw/zinc/11/79/80/251117980.db2.gz APGJTVGUFGQOEV-QGZVFWFLSA-N 2 2 332.448 1.193 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000262317023 139269369 /nfs/dbraw/zinc/26/93/69/139269369.db2.gz UTZWDHJWRAZTFH-SJORKVTESA-N 2 2 330.476 1.890 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000416994566 251122512 /nfs/dbraw/zinc/12/25/12/251122512.db2.gz JUJLHNWWMUHKEE-IRXDYDNUSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000417005290 251126377 /nfs/dbraw/zinc/12/63/77/251126377.db2.gz XSUCCYLOEZGDCA-NXHRZFHOSA-N 2 2 346.475 1.357 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000417519644 251182882 /nfs/dbraw/zinc/18/28/82/251182882.db2.gz MVWDZEREJLULIH-ZNMIVQPWSA-N 2 2 334.464 1.615 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417829195 251288920 /nfs/dbraw/zinc/28/89/20/251288920.db2.gz PJGROCKEYJEFHK-ZIAGYGMSSA-N 2 2 340.493 1.419 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417829195 251288922 /nfs/dbraw/zinc/28/89/22/251288922.db2.gz PJGROCKEYJEFHK-ZIAGYGMSSA-N 2 2 340.493 1.419 20 0 EDADLP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000262471736 139281226 /nfs/dbraw/zinc/28/12/26/139281226.db2.gz WWUWCTBZNFQMDY-JKSUJKDBSA-N 2 2 337.851 1.097 20 0 EDADLP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000262471736 139281227 /nfs/dbraw/zinc/28/12/27/139281227.db2.gz WWUWCTBZNFQMDY-JKSUJKDBSA-N 2 2 337.851 1.097 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000417944587 251317468 /nfs/dbraw/zinc/31/74/68/251317468.db2.gz CMOYQQDUYUHIHX-UGFHNGPFSA-N 2 2 340.855 1.358 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000417944587 251317471 /nfs/dbraw/zinc/31/74/71/251317471.db2.gz CMOYQQDUYUHIHX-UGFHNGPFSA-N 2 2 340.855 1.358 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944630 251317960 /nfs/dbraw/zinc/31/79/60/251317960.db2.gz CNMUPODUDVERDE-CVEARBPZSA-N 2 2 338.402 1.715 20 0 EDADLP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](Cc2cccs2)CC1 ZINC000418406364 251365056 /nfs/dbraw/zinc/36/50/56/251365056.db2.gz CDCOEJQCPVENDN-YIONKMFJSA-N 2 2 334.489 1.858 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418719831 251396295 /nfs/dbraw/zinc/39/62/95/251396295.db2.gz LEDVQIMZTJIXIR-HZPDHXFCSA-N 3 2 339.528 1.171 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418719831 251396298 /nfs/dbraw/zinc/39/62/98/251396298.db2.gz LEDVQIMZTJIXIR-HZPDHXFCSA-N 3 2 339.528 1.171 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000418725198 251398799 /nfs/dbraw/zinc/39/87/99/251398799.db2.gz KUIILUAQQVTOQR-UONOGXRCSA-N 2 2 332.439 1.605 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000418725198 251398803 /nfs/dbraw/zinc/39/88/03/251398803.db2.gz KUIILUAQQVTOQR-UONOGXRCSA-N 2 2 332.439 1.605 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418685306 251386569 /nfs/dbraw/zinc/38/65/69/251386569.db2.gz BPCGMKBATPVKNW-QGZVFWFLSA-N 2 2 348.491 1.910 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCS(=O)(=O)c1ccccc1 ZINC000422711649 251958189 /nfs/dbraw/zinc/95/81/89/251958189.db2.gz HGADQSWXSLTEIK-HUUCEWRRSA-N 2 2 326.462 1.207 20 0 EDADLP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422877744 252007969 /nfs/dbraw/zinc/00/79/69/252007969.db2.gz ISPQAYMGFZMWNK-MJGOQNOKSA-N 2 2 330.476 1.929 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000422897341 252015714 /nfs/dbraw/zinc/01/57/14/252015714.db2.gz ZPIBZEQBAFKRLI-MRXNPFEDSA-N 2 2 347.459 1.272 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000422897341 252015717 /nfs/dbraw/zinc/01/57/17/252015717.db2.gz ZPIBZEQBAFKRLI-MRXNPFEDSA-N 2 2 347.459 1.272 20 0 EDADLP C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422862557 252003669 /nfs/dbraw/zinc/00/36/69/252003669.db2.gz QDNMROZUZXWJBL-BBRMVZONSA-N 2 2 326.462 1.589 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CN1Cc1ccccc1C(F)(F)F ZINC000423056251 252028846 /nfs/dbraw/zinc/02/88/46/252028846.db2.gz XWIREKDSXLJAPD-OLZOCXBDSA-N 2 2 327.350 1.758 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423072089 252034944 /nfs/dbraw/zinc/03/49/44/252034944.db2.gz GRZYSRRPRCIXSX-IRXDYDNUSA-N 2 2 340.489 1.856 20 0 EDADLP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CC[NH2+]C1 ZINC000423151185 252038696 /nfs/dbraw/zinc/03/86/96/252038696.db2.gz CURWNBSRUFDIBX-RISCZKNCSA-N 2 2 343.265 1.560 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCO[C@@H]4C[NH2+]C[C@@H]43)cn2c1 ZINC000424043714 252123843 /nfs/dbraw/zinc/12/38/43/252123843.db2.gz GDZWWKYHEJKHNE-LSDHHAIUSA-N 2 2 346.456 1.075 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424330815 252196475 /nfs/dbraw/zinc/19/64/75/252196475.db2.gz IMOPGRXWCPAVJM-BZUAXINKSA-N 2 2 346.475 1.606 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000104140443 285194790 /nfs/dbraw/zinc/19/47/90/285194790.db2.gz CNCHISNMDRMUKC-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000104140443 285194791 /nfs/dbraw/zinc/19/47/91/285194791.db2.gz CNCHISNMDRMUKC-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000459780729 255000682 /nfs/dbraw/zinc/00/06/82/255000682.db2.gz RQYKGSHFCYZOKK-MSOLQXFVSA-N 2 2 331.460 1.488 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000487665085 255033630 /nfs/dbraw/zinc/03/36/30/255033630.db2.gz KDOFRDYTTZWRNU-UHFFFAOYSA-N 2 2 349.479 1.560 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415785988 304270536 /nfs/dbraw/zinc/27/05/36/304270536.db2.gz HPKIJCJWUXAFMH-SCZZXKLOSA-N 2 2 342.241 1.864 20 0 EDADLP COc1cc(CNC(=O)C=Cc2c[nH]c[nH+]2)ccc1OCC[NH+](C)C ZINC000492900592 255186878 /nfs/dbraw/zinc/18/68/78/255186878.db2.gz NYMFHTAIOWCGDT-ALCCZGGFSA-N 2 2 344.415 1.688 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000493050702 255189850 /nfs/dbraw/zinc/18/98/50/255189850.db2.gz OKNCIDBDVDKSKC-YBJDMEARSA-N 2 2 338.249 1.564 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccccc2Br)[C@@H](C[NH3+])C1 ZINC000493050702 255189851 /nfs/dbraw/zinc/18/98/51/255189851.db2.gz OKNCIDBDVDKSKC-YBJDMEARSA-N 2 2 338.249 1.564 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2csc(Br)c2)[C@@H](C[NH3+])C1 ZINC000493111103 255191784 /nfs/dbraw/zinc/19/17/84/255191784.db2.gz BXFRDRUXHICWBR-VUDBWIFFSA-N 2 2 344.278 1.625 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2csc(Br)c2)[C@@H](C[NH3+])C1 ZINC000493111103 255191785 /nfs/dbraw/zinc/19/17/85/255191785.db2.gz BXFRDRUXHICWBR-VUDBWIFFSA-N 2 2 344.278 1.625 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000493257806 255199840 /nfs/dbraw/zinc/19/98/40/255199840.db2.gz GYNDVGZPKQRSNF-XVWMLYKFSA-N 2 2 332.448 1.628 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000493257806 255199841 /nfs/dbraw/zinc/19/98/41/255199841.db2.gz GYNDVGZPKQRSNF-XVWMLYKFSA-N 2 2 332.448 1.628 20 0 EDADLP CC[C@@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000495198019 255272857 /nfs/dbraw/zinc/27/28/57/255272857.db2.gz ZQUKSNFMGYNXIL-HXUWFJFHSA-N 2 2 345.487 1.486 20 0 EDADLP CC[C@@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000495198019 255272858 /nfs/dbraw/zinc/27/28/58/255272858.db2.gz ZQUKSNFMGYNXIL-HXUWFJFHSA-N 2 2 345.487 1.486 20 0 EDADLP CC[NH2+]CCNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000415789475 304271708 /nfs/dbraw/zinc/27/17/08/304271708.db2.gz NBXGEVRESMVGMP-UHFFFAOYSA-N 2 2 330.230 1.641 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000104831965 285259581 /nfs/dbraw/zinc/25/95/81/285259581.db2.gz SFIBQQNHCXESSW-IEBWSBKVSA-N 2 2 345.487 1.785 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000104831965 285259583 /nfs/dbraw/zinc/25/95/83/285259583.db2.gz SFIBQQNHCXESSW-IEBWSBKVSA-N 2 2 345.487 1.785 20 0 EDADLP CC[N@H+](CC(=O)OC(C)(C)C)C1CC(N[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000494842416 255262958 /nfs/dbraw/zinc/26/29/58/255262958.db2.gz OPJJXMHNCMCNFF-LMPOIIKSSA-N 2 2 325.497 1.721 20 0 EDADLP CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(N[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC000494842416 255262959 /nfs/dbraw/zinc/26/29/59/255262959.db2.gz OPJJXMHNCMCNFF-LMPOIIKSSA-N 2 2 325.497 1.721 20 0 EDADLP CC[NH+](CC(=O)OC(C)(C)C)C1CC(N[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000494842416 255262960 /nfs/dbraw/zinc/26/29/60/255262960.db2.gz OPJJXMHNCMCNFF-LMPOIIKSSA-N 2 2 325.497 1.721 20 0 EDADLP CC[NH+](CC(=O)OC(C)(C)C)C1CC(N[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000494842416 255262961 /nfs/dbraw/zinc/26/29/61/255262961.db2.gz OPJJXMHNCMCNFF-LMPOIIKSSA-N 2 2 325.497 1.721 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000364886214 285274518 /nfs/dbraw/zinc/27/45/18/285274518.db2.gz PLVZTSVKNCBHHD-SJORKVTESA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc(N2CCCCC2)[nH+]cn1 ZINC000364886214 285274519 /nfs/dbraw/zinc/27/45/19/285274519.db2.gz PLVZTSVKNCBHHD-SJORKVTESA-N 2 2 345.491 1.892 20 0 EDADLP Cc1ccn2cc(CNC(=O)CCCC[NH+]3CCOCC3)[nH+]c2c1 ZINC000263939011 139370895 /nfs/dbraw/zinc/37/08/95/139370895.db2.gz UDONPWUSXQNXQO-UHFFFAOYSA-N 2 2 330.432 1.761 20 0 EDADLP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000266031262 285303464 /nfs/dbraw/zinc/30/34/64/285303464.db2.gz RRVLXQBJWJSIQF-DYVFJYSZSA-N 2 2 326.387 1.652 20 0 EDADLP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000266031262 285303468 /nfs/dbraw/zinc/30/34/68/285303468.db2.gz RRVLXQBJWJSIQF-DYVFJYSZSA-N 2 2 326.387 1.652 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000117808222 221092069 /nfs/dbraw/zinc/09/20/69/221092069.db2.gz OZOCMNWZVSYGCX-OAHLLOKOSA-N 2 2 328.416 1.665 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000117808222 221092071 /nfs/dbraw/zinc/09/20/71/221092071.db2.gz OZOCMNWZVSYGCX-OAHLLOKOSA-N 2 2 328.416 1.665 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)c[nH+]1 ZINC000264069459 139378928 /nfs/dbraw/zinc/37/89/28/139378928.db2.gz WRFNZKMILJNCSW-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)c[nH+]1 ZINC000264069459 139378929 /nfs/dbraw/zinc/37/89/29/139378929.db2.gz WRFNZKMILJNCSW-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000361747428 285390070 /nfs/dbraw/zinc/39/00/70/285390070.db2.gz MLNCCWFCZKNXLI-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000361747428 285390071 /nfs/dbraw/zinc/39/00/71/285390071.db2.gz MLNCCWFCZKNXLI-PMPSAXMXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@@H]1C ZINC000353766685 285396898 /nfs/dbraw/zinc/39/68/98/285396898.db2.gz HXIXXJNNBXGMNI-RDJZCZTQSA-N 2 2 349.523 1.870 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@@H]1C ZINC000353766685 285396900 /nfs/dbraw/zinc/39/69/00/285396900.db2.gz HXIXXJNNBXGMNI-RDJZCZTQSA-N 2 2 349.523 1.870 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@@H]1C ZINC000353766685 285396903 /nfs/dbraw/zinc/39/69/03/285396903.db2.gz HXIXXJNNBXGMNI-RDJZCZTQSA-N 2 2 349.523 1.870 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@@H]1C ZINC000353766685 285396904 /nfs/dbraw/zinc/39/69/04/285396904.db2.gz HXIXXJNNBXGMNI-RDJZCZTQSA-N 2 2 349.523 1.870 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC000571644602 306571211 /nfs/dbraw/zinc/57/12/11/306571211.db2.gz BTRLTCWUSNGYOH-SJLPKXTDSA-N 2 2 345.491 1.072 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(-n2cncn2)cc1 ZINC000268937547 139856263 /nfs/dbraw/zinc/85/62/63/139856263.db2.gz RXGVWQJBPNEUJL-WMLDXEAASA-N 2 2 342.447 1.258 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(-n2cncn2)cc1 ZINC000268937547 139856264 /nfs/dbraw/zinc/85/62/64/139856264.db2.gz RXGVWQJBPNEUJL-WMLDXEAASA-N 2 2 342.447 1.258 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1O ZINC000270887933 140190535 /nfs/dbraw/zinc/19/05/35/140190535.db2.gz KYFLVPOIQKUZTP-HKUYNNGSSA-N 2 2 345.487 1.342 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1O ZINC000270887933 140190536 /nfs/dbraw/zinc/19/05/36/140190536.db2.gz KYFLVPOIQKUZTP-HKUYNNGSSA-N 2 2 345.487 1.342 20 0 EDADLP O=C(C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000271327415 140278913 /nfs/dbraw/zinc/27/89/13/140278913.db2.gz YJERXQJSNFBDOJ-IBGZPJMESA-N 2 2 342.487 1.157 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000271433823 140295524 /nfs/dbraw/zinc/29/55/24/140295524.db2.gz CIJAINQDNDYIJS-JSGCOSHPSA-N 2 2 338.477 1.035 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC3([NH+](C)C)CCCC3)ccc2[nH+]1 ZINC000271574735 140313460 /nfs/dbraw/zinc/31/34/60/140313460.db2.gz QBHJFYCEQSCOIB-UHFFFAOYSA-N 2 2 343.431 1.572 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[NH+]3CCCCCC3)ccc2[nH+]1 ZINC000271579536 140314313 /nfs/dbraw/zinc/31/43/13/140314313.db2.gz RICNOBWALTUSMB-UHFFFAOYSA-N 2 2 343.431 1.573 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000331395368 141016656 /nfs/dbraw/zinc/01/66/56/141016656.db2.gz BTOPSDWPPLWNDF-HUUCEWRRSA-N 2 2 332.448 1.407 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@@H]1[NH3+] ZINC000331521458 141042543 /nfs/dbraw/zinc/04/25/43/141042543.db2.gz JQLNAGGBHAQCCA-HOCLYGCPSA-N 2 2 331.464 1.951 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CC[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000422852106 285664674 /nfs/dbraw/zinc/66/46/74/285664674.db2.gz AAEQXVLRBJYBJH-INIZCTEOSA-N 3 2 325.497 1.629 20 0 EDADLP Cc1ccc(NC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1C ZINC000331849336 141088857 /nfs/dbraw/zinc/08/88/57/141088857.db2.gz CPZFDJWFCSGSJV-UHFFFAOYSA-N 2 2 327.432 1.798 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000332283382 141155839 /nfs/dbraw/zinc/15/58/39/141155839.db2.gz JYLDNHRCWYCFBU-VQHPVUNQSA-N 2 2 338.496 1.256 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000332307071 141159686 /nfs/dbraw/zinc/15/96/86/141159686.db2.gz MGGGYKOEKIAPPE-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000332307071 141159688 /nfs/dbraw/zinc/15/96/88/141159688.db2.gz MGGGYKOEKIAPPE-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000332999151 141248731 /nfs/dbraw/zinc/24/87/31/141248731.db2.gz ANXZEXIHOAURGL-HOCLYGCPSA-N 2 2 331.464 1.936 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000333379589 141308822 /nfs/dbraw/zinc/30/88/22/141308822.db2.gz WASNDCYYELIBRV-KBXCAEBGSA-N 2 2 344.459 1.659 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)C[C@H]12 ZINC000333379164 141308863 /nfs/dbraw/zinc/30/88/63/141308863.db2.gz NJKBIWORSDBVTL-YESZJQIVSA-N 2 2 343.475 1.951 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC([C@H]4CCC[NH2+]4)CC3)[nH+]cn2)C1 ZINC000333607983 141344066 /nfs/dbraw/zinc/34/40/66/141344066.db2.gz XQLQVWFZKFZUOC-NVXWUHKLSA-N 2 2 345.491 1.654 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC([C@H]4CCC[NH2+]4)CC3)nc[nH+]2)C1 ZINC000333607983 141344067 /nfs/dbraw/zinc/34/40/67/141344067.db2.gz XQLQVWFZKFZUOC-NVXWUHKLSA-N 2 2 345.491 1.654 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333666535 141352790 /nfs/dbraw/zinc/35/27/90/141352790.db2.gz MKACQKRMSQKORV-UGSOOPFHSA-N 2 2 331.416 1.818 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333666535 141352792 /nfs/dbraw/zinc/35/27/92/141352792.db2.gz MKACQKRMSQKORV-UGSOOPFHSA-N 2 2 331.416 1.818 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333666843 141352833 /nfs/dbraw/zinc/35/28/33/141352833.db2.gz XSHFRKUJBQAWHK-HOTGVXAUSA-N 2 2 327.432 1.865 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]21 ZINC000333867448 141397676 /nfs/dbraw/zinc/39/76/76/141397676.db2.gz SZTPBOWLHJLLEK-CVEARBPZSA-N 2 2 329.448 1.527 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@@H]21 ZINC000333867448 141397677 /nfs/dbraw/zinc/39/76/77/141397677.db2.gz SZTPBOWLHJLLEK-CVEARBPZSA-N 2 2 329.448 1.527 20 0 EDADLP CCn1nc(C)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000339278675 142002379 /nfs/dbraw/zinc/00/23/79/142002379.db2.gz LZXFJZVQXVJTTR-UHFFFAOYSA-N 2 2 335.496 1.618 20 0 EDADLP CCn1nc(C)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000339278675 142002380 /nfs/dbraw/zinc/00/23/80/142002380.db2.gz LZXFJZVQXVJTTR-UHFFFAOYSA-N 2 2 335.496 1.618 20 0 EDADLP CN(C)c1ccccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340248162 142318850 /nfs/dbraw/zinc/31/88/50/142318850.db2.gz CFKRBABYIURRGB-UHFFFAOYSA-N 2 2 333.480 1.900 20 0 EDADLP CC[N@H+](CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000340256284 142321567 /nfs/dbraw/zinc/32/15/67/142321567.db2.gz RJVSEHBIGCQSMP-UHFFFAOYSA-N 3 2 327.517 1.042 20 0 EDADLP CC[N@@H+](CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000340256284 142321568 /nfs/dbraw/zinc/32/15/68/142321568.db2.gz RJVSEHBIGCQSMP-UHFFFAOYSA-N 3 2 327.517 1.042 20 0 EDADLP CC[N@H+](CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)C(C)C ZINC000344776050 143010530 /nfs/dbraw/zinc/01/05/30/143010530.db2.gz OMXRNVYJWXLWLN-CVEARBPZSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@@H+](CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)C(C)C ZINC000344776050 143010531 /nfs/dbraw/zinc/01/05/31/143010531.db2.gz OMXRNVYJWXLWLN-CVEARBPZSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1C[C@H](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000345642430 143115604 /nfs/dbraw/zinc/11/56/04/143115604.db2.gz QJACSPNPSZWOGG-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1cccc(F)c1 ZINC000345699117 143122980 /nfs/dbraw/zinc/12/29/80/143122980.db2.gz TWSFYVZEWHHOML-YPMHNXCESA-N 2 2 326.322 1.747 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000345710497 143124181 /nfs/dbraw/zinc/12/41/81/143124181.db2.gz HBKIULNPLLPTIO-QXSJWSMHSA-N 2 2 326.485 1.220 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC000345710497 143124182 /nfs/dbraw/zinc/12/41/82/143124182.db2.gz HBKIULNPLLPTIO-QXSJWSMHSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000346148845 143172524 /nfs/dbraw/zinc/17/25/24/143172524.db2.gz LJFHFVHGNLMDSL-MRXNPFEDSA-N 2 2 331.460 1.685 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000346148845 143172525 /nfs/dbraw/zinc/17/25/25/143172525.db2.gz LJFHFVHGNLMDSL-MRXNPFEDSA-N 2 2 331.460 1.685 20 0 EDADLP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000346469499 143208182 /nfs/dbraw/zinc/20/81/82/143208182.db2.gz YUDAAHBOMABNQS-IXDOHACOSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H](CO)[N@H+]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000346469499 143208183 /nfs/dbraw/zinc/20/81/83/143208183.db2.gz YUDAAHBOMABNQS-IXDOHACOSA-N 2 2 346.475 1.069 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCc2cn3cc(C)ccc3[nH+]2)[N@H+](C)C1 ZINC000346747151 143241073 /nfs/dbraw/zinc/24/10/73/143241073.db2.gz JCMPNCJWJCPRAA-CVEARBPZSA-N 2 2 345.447 1.503 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCc2cn3cc(C)ccc3[nH+]2)[N@@H+](C)C1 ZINC000346747151 143241074 /nfs/dbraw/zinc/24/10/74/143241074.db2.gz JCMPNCJWJCPRAA-CVEARBPZSA-N 2 2 345.447 1.503 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000346922594 143261614 /nfs/dbraw/zinc/26/16/14/143261614.db2.gz ZDUPBWKMAYOUDD-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000346922594 143261615 /nfs/dbraw/zinc/26/16/15/143261615.db2.gz ZDUPBWKMAYOUDD-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000346922594 143261616 /nfs/dbraw/zinc/26/16/16/143261616.db2.gz ZDUPBWKMAYOUDD-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000346922594 143261617 /nfs/dbraw/zinc/26/16/17/143261617.db2.gz ZDUPBWKMAYOUDD-QGZVFWFLSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)[NH+](CC)CC ZINC000346949057 143265289 /nfs/dbraw/zinc/26/52/89/143265289.db2.gz MAWCOGXKDDVRPN-HUUCEWRRSA-N 2 2 348.495 1.724 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)[NH+](CC)CC ZINC000346949057 143265290 /nfs/dbraw/zinc/26/52/90/143265290.db2.gz MAWCOGXKDDVRPN-HUUCEWRRSA-N 2 2 348.495 1.724 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)CC1 ZINC000347348942 143311567 /nfs/dbraw/zinc/31/15/67/143311567.db2.gz UUKDCVBCWJFPIZ-CVEARBPZSA-N 2 2 349.500 1.261 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)CC1 ZINC000347348942 143311568 /nfs/dbraw/zinc/31/15/68/143311568.db2.gz UUKDCVBCWJFPIZ-CVEARBPZSA-N 2 2 349.500 1.261 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000347456749 143323644 /nfs/dbraw/zinc/32/36/44/143323644.db2.gz WBUFRTMVRLIJCY-UHFFFAOYSA-N 2 2 331.460 1.687 20 0 EDADLP CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000347456749 143323645 /nfs/dbraw/zinc/32/36/45/143323645.db2.gz WBUFRTMVRLIJCY-UHFFFAOYSA-N 2 2 331.460 1.687 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C[C@@H](C)O1 ZINC000347508923 143330271 /nfs/dbraw/zinc/33/02/71/143330271.db2.gz VEZYWXKQDSDJEG-BZUAXINKSA-N 2 2 349.479 1.244 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000347694452 143350659 /nfs/dbraw/zinc/35/06/59/143350659.db2.gz GYPBYRFLXXLDGV-UHFFFAOYSA-N 2 2 332.492 1.214 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000347694452 143350660 /nfs/dbraw/zinc/35/06/60/143350660.db2.gz GYPBYRFLXXLDGV-UHFFFAOYSA-N 2 2 332.492 1.214 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000347694452 143350661 /nfs/dbraw/zinc/35/06/61/143350661.db2.gz GYPBYRFLXXLDGV-UHFFFAOYSA-N 2 2 332.492 1.214 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000347694452 143350662 /nfs/dbraw/zinc/35/06/62/143350662.db2.gz GYPBYRFLXXLDGV-UHFFFAOYSA-N 2 2 332.492 1.214 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCc3c[nH+]cn3C)CC2)C1 ZINC000347714198 143353125 /nfs/dbraw/zinc/35/31/25/143353125.db2.gz BSNRIYGQUDVPKB-CALCHBBNSA-N 2 2 347.507 1.085 20 0 EDADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000347787958 143363379 /nfs/dbraw/zinc/36/33/79/143363379.db2.gz IDINHNPIWAZMEW-INIZCTEOSA-N 2 2 337.489 1.407 20 0 EDADLP COCCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cn1 ZINC000369673354 155133503 /nfs/dbraw/zinc/13/35/03/155133503.db2.gz XUEKDOUORBOILZ-LPHOPBHVSA-N 2 2 343.475 1.925 20 0 EDADLP COCCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cn1 ZINC000369673354 155133505 /nfs/dbraw/zinc/13/35/05/155133505.db2.gz XUEKDOUORBOILZ-LPHOPBHVSA-N 2 2 343.475 1.925 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000572618916 306595546 /nfs/dbraw/zinc/59/55/46/306595546.db2.gz CPVXMZFBIOTEFE-WBVHZDCISA-N 2 2 327.432 1.984 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)OCC(C)C)CC2)CC1 ZINC000369844794 155201725 /nfs/dbraw/zinc/20/17/25/155201725.db2.gz FTKCRPIWUWXRIJ-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000416857681 304352393 /nfs/dbraw/zinc/35/23/93/304352393.db2.gz SDTCWWKXWUWDQM-OAHLLOKOSA-N 2 2 345.447 1.413 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416891468 304353455 /nfs/dbraw/zinc/35/34/55/304353455.db2.gz NKHZTWLMQVGWHW-RDJZCZTQSA-N 2 2 334.464 1.215 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000352783433 149163638 /nfs/dbraw/zinc/16/36/38/149163638.db2.gz YDSPVWGEPDMUGG-JKSUJKDBSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000352783433 149163640 /nfs/dbraw/zinc/16/36/40/149163640.db2.gz YDSPVWGEPDMUGG-JKSUJKDBSA-N 2 2 331.460 1.683 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352823290 149181732 /nfs/dbraw/zinc/18/17/32/149181732.db2.gz CLDVYMXTFRHBHD-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352823290 149181736 /nfs/dbraw/zinc/18/17/36/149181736.db2.gz CLDVYMXTFRHBHD-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)C1CC[NH+](Cc2nccn2C)CC1)Cn1cc[nH+]c1 ZINC000353012033 149253124 /nfs/dbraw/zinc/25/31/24/149253124.db2.gz NGRZHTQMDVZNCX-OAHLLOKOSA-N 2 2 344.463 1.281 20 0 EDADLP CC1(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC[NH2+]CC1 ZINC000416962404 304356031 /nfs/dbraw/zinc/35/60/31/304356031.db2.gz UDEQBVZLUYOCLF-UHFFFAOYSA-N 2 2 341.459 1.915 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000416981346 304360649 /nfs/dbraw/zinc/36/06/49/304360649.db2.gz HAXFZHZWKRDVJK-HUUCEWRRSA-N 2 2 349.479 1.623 20 0 EDADLP C[C@H]1CN(C(=O)c2ccnc(N(C)C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354950153 150051018 /nfs/dbraw/zinc/05/10/18/150051018.db2.gz UJRCYCGAAUTBLZ-HNNXBMFYSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@H]1CN(C(=O)c2ccnc(N(C)C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354950153 150051019 /nfs/dbraw/zinc/05/10/19/150051019.db2.gz UJRCYCGAAUTBLZ-HNNXBMFYSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@@H]1CC[C@H](CCC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)O1 ZINC000354951411 150052198 /nfs/dbraw/zinc/05/21/98/150052198.db2.gz OOQAEADRQMJTNK-LZLYRXPVSA-N 2 2 337.508 1.961 20 0 EDADLP C[C@@H]1CC[C@H](CCC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)O1 ZINC000354951411 150052199 /nfs/dbraw/zinc/05/21/99/150052199.db2.gz OOQAEADRQMJTNK-LZLYRXPVSA-N 2 2 337.508 1.961 20 0 EDADLP C[NH+](C)CCOc1ccc(CCNC(=O)CCn2cc[nH+]c2)cc1 ZINC000354995064 150068870 /nfs/dbraw/zinc/06/88/70/150068870.db2.gz GSAMGOWLFBVKRX-UHFFFAOYSA-N 2 2 330.432 1.573 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(F)F ZINC000416985534 304361850 /nfs/dbraw/zinc/36/18/50/304361850.db2.gz FGFZNVMDEXJJJC-CQSZACIVSA-N 2 2 337.374 1.713 20 0 EDADLP CCOC(=O)CC1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000355207135 150164742 /nfs/dbraw/zinc/16/47/42/150164742.db2.gz ZRADMRXYFZADRL-OAHLLOKOSA-N 2 2 339.480 1.204 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000355249927 150183932 /nfs/dbraw/zinc/18/39/32/150183932.db2.gz BYBRGMTVPSTKEK-MOPGFXCFSA-N 2 2 347.503 1.812 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000355249927 150183935 /nfs/dbraw/zinc/18/39/35/150183935.db2.gz BYBRGMTVPSTKEK-MOPGFXCFSA-N 2 2 347.503 1.812 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355594431 150329399 /nfs/dbraw/zinc/32/93/99/150329399.db2.gz GEEVAEDHKOPNTK-QGZVFWFLSA-N 2 2 328.416 1.209 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355594431 150329403 /nfs/dbraw/zinc/32/94/03/150329403.db2.gz GEEVAEDHKOPNTK-QGZVFWFLSA-N 2 2 328.416 1.209 20 0 EDADLP C[C@H]1C[NH+](CCCCNC(=O)c2cc(C[NH+](C)C)on2)C[C@H](C)O1 ZINC000355757236 150388666 /nfs/dbraw/zinc/38/86/66/150388666.db2.gz JSLXUBQDBBUGPA-KBPBESRZSA-N 2 2 338.452 1.355 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000417037518 304364344 /nfs/dbraw/zinc/36/43/44/304364344.db2.gz UGMATJAWBVNTOA-QAPCUYQASA-N 2 2 348.491 1.830 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3CO)C2)CC1 ZINC000370025794 155287322 /nfs/dbraw/zinc/28/73/22/155287322.db2.gz GTOMAYKFFGTZGU-HLLBOEOZSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC[C@@H]3CO)C2)CC1 ZINC000370025794 155287323 /nfs/dbraw/zinc/28/73/23/155287323.db2.gz GTOMAYKFFGTZGU-HLLBOEOZSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)[C@H]1C ZINC000357650553 151101073 /nfs/dbraw/zinc/10/10/73/151101073.db2.gz PAKFQPVZFVWXFW-HLLBOEOZSA-N 2 2 325.497 1.316 20 0 EDADLP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)[C@H]1C ZINC000357650553 151101074 /nfs/dbraw/zinc/10/10/74/151101074.db2.gz PAKFQPVZFVWXFW-HLLBOEOZSA-N 2 2 325.497 1.316 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649654 151101845 /nfs/dbraw/zinc/10/18/45/151101845.db2.gz ODSSYWBKVOKCLL-CBZIJGRNSA-N 2 2 339.524 1.704 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649654 151101847 /nfs/dbraw/zinc/10/18/47/151101847.db2.gz ODSSYWBKVOKCLL-CBZIJGRNSA-N 2 2 339.524 1.704 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651406 151102177 /nfs/dbraw/zinc/10/21/77/151102177.db2.gz RXDCTQHCPCIBCJ-DLBZAZTESA-N 2 2 347.503 1.949 20 0 EDADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651406 151102179 /nfs/dbraw/zinc/10/21/79/151102179.db2.gz RXDCTQHCPCIBCJ-DLBZAZTESA-N 2 2 347.503 1.949 20 0 EDADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653530 151102755 /nfs/dbraw/zinc/10/27/55/151102755.db2.gz XETSUYZGMWPMOZ-LBPRGKRZSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653530 151102756 /nfs/dbraw/zinc/10/27/56/151102756.db2.gz XETSUYZGMWPMOZ-LBPRGKRZSA-N 2 2 341.402 1.680 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000357735327 151131314 /nfs/dbraw/zinc/13/13/14/151131314.db2.gz TZDZBNBSWFSMPV-UHFFFAOYSA-N 2 2 345.422 1.706 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000357805913 151156355 /nfs/dbraw/zinc/15/63/55/151156355.db2.gz ROTRQNYMBAERLL-MRXNPFEDSA-N 2 2 349.479 1.623 20 0 EDADLP CC(C)(CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)C[NH+]1CCCC1 ZINC000357960468 151210742 /nfs/dbraw/zinc/21/07/42/151210742.db2.gz MHYFKZFCJVJCEI-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP CC(C)(CNc1cc(N2CCC[C@H]2CO)nc[nH+]1)C[NH+]1CCCC1 ZINC000357960468 151210744 /nfs/dbraw/zinc/21/07/44/151210744.db2.gz MHYFKZFCJVJCEI-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000358034053 151241824 /nfs/dbraw/zinc/24/18/24/151241824.db2.gz YHQBOFXVMKQXHD-AEFFLSMTSA-N 2 2 333.476 1.906 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000358105761 151272297 /nfs/dbraw/zinc/27/22/97/151272297.db2.gz YJRQGIZMJRRALL-KGLIPLIRSA-N 2 2 349.479 1.194 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000358254776 151318318 /nfs/dbraw/zinc/31/83/18/151318318.db2.gz QDJGWJCXJWLPKK-RAFMOHDBSA-N 3 2 329.488 1.838 20 0 EDADLP C[NH+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000358254776 151318320 /nfs/dbraw/zinc/31/83/20/151318320.db2.gz QDJGWJCXJWLPKK-RAFMOHDBSA-N 3 2 329.488 1.838 20 0 EDADLP C[NH+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000358254776 151318321 /nfs/dbraw/zinc/31/83/21/151318321.db2.gz QDJGWJCXJWLPKK-RAFMOHDBSA-N 3 2 329.488 1.838 20 0 EDADLP c1c[nH+]c(CN2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000358472613 151388492 /nfs/dbraw/zinc/38/84/92/151388492.db2.gz SNEABPDGTJDWIV-UHFFFAOYSA-N 2 2 344.415 1.725 20 0 EDADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000370079913 155315314 /nfs/dbraw/zinc/31/53/14/155315314.db2.gz CCTLBPPTIBCSRD-ZACQAIPSSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360548611 152089932 /nfs/dbraw/zinc/08/99/32/152089932.db2.gz CRNITQNEXZLIBN-HXUWFJFHSA-N 2 2 345.487 1.913 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360548611 152089933 /nfs/dbraw/zinc/08/99/33/152089933.db2.gz CRNITQNEXZLIBN-HXUWFJFHSA-N 2 2 345.487 1.913 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000360777282 152200657 /nfs/dbraw/zinc/20/06/57/152200657.db2.gz KTDKPYXSZNQPST-OAHLLOKOSA-N 2 2 334.464 1.577 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000370132112 155341484 /nfs/dbraw/zinc/34/14/84/155341484.db2.gz VJMCBXJFYUNSBD-HOTGVXAUSA-N 2 2 342.447 1.939 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@](C)(O)Cc2ccccc2)CC1 ZINC000360896457 152244846 /nfs/dbraw/zinc/24/48/46/152244846.db2.gz HBLGVHKXXFLUOU-LJQANCHMSA-N 2 2 333.476 1.122 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000361116174 152309621 /nfs/dbraw/zinc/30/96/21/152309621.db2.gz BSJSGJCJAWOCDW-KRWDZBQOSA-N 2 2 334.464 1.878 20 0 EDADLP Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000361184442 152329082 /nfs/dbraw/zinc/32/90/82/152329082.db2.gz QCIGFAOWIHQSRV-JKSUJKDBSA-N 2 2 342.491 1.862 20 0 EDADLP CCS(=O)(=O)NCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361323956 152362105 /nfs/dbraw/zinc/36/21/05/152362105.db2.gz KFTKXMPIFLFGGP-UHFFFAOYSA-N 2 2 345.431 1.322 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C ZINC000361350403 152368172 /nfs/dbraw/zinc/36/81/72/152368172.db2.gz FQPWGLUVIZTTSW-IRXDYDNUSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C ZINC000361350403 152368175 /nfs/dbraw/zinc/36/81/75/152368175.db2.gz FQPWGLUVIZTTSW-IRXDYDNUSA-N 2 2 345.487 1.865 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnnn1CC1CCOCC1 ZINC000370148640 155348505 /nfs/dbraw/zinc/34/85/05/155348505.db2.gz LNEGCNPTZHHXCE-INIZCTEOSA-N 2 2 345.451 1.269 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnnn1CC1CCOCC1 ZINC000370148640 155348508 /nfs/dbraw/zinc/34/85/08/155348508.db2.gz LNEGCNPTZHHXCE-INIZCTEOSA-N 2 2 345.451 1.269 20 0 EDADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(N3CCOCC3)CC2)CC1 ZINC000361434226 152394390 /nfs/dbraw/zinc/39/43/90/152394390.db2.gz BURIIJCZBFGDJR-UHFFFAOYSA-N 2 2 335.414 1.858 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417169619 304380425 /nfs/dbraw/zinc/38/04/25/304380425.db2.gz BXKSJUFYFJFQHP-GOSISDBHSA-N 2 2 348.491 1.667 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)sc2n1 ZINC000363560243 153000741 /nfs/dbraw/zinc/00/07/41/153000741.db2.gz MSDHLYPKMRRQKS-MCIONIFRSA-N 2 2 345.472 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)sc2n1 ZINC000363560243 153000743 /nfs/dbraw/zinc/00/07/43/153000743.db2.gz MSDHLYPKMRRQKS-MCIONIFRSA-N 2 2 345.472 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)sc2n1 ZINC000363560243 153000745 /nfs/dbraw/zinc/00/07/45/153000745.db2.gz MSDHLYPKMRRQKS-MCIONIFRSA-N 2 2 345.472 1.376 20 0 EDADLP Cc1cc(=O)n2nc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)sc2n1 ZINC000363560243 153000748 /nfs/dbraw/zinc/00/07/48/153000748.db2.gz MSDHLYPKMRRQKS-MCIONIFRSA-N 2 2 345.472 1.376 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363723682 153039040 /nfs/dbraw/zinc/03/90/40/153039040.db2.gz WXRARUGPYAWGLW-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cc(C(N)=O)cs3)CCC[N@@H+]2C)cn1 ZINC000363726762 153040229 /nfs/dbraw/zinc/04/02/29/153040229.db2.gz BQECABZHGBFQES-WBMJQRKESA-N 2 2 347.488 1.753 20 0 EDADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cc(C(N)=O)cs3)CCC[N@H+]2C)cn1 ZINC000363726762 153040232 /nfs/dbraw/zinc/04/02/32/153040232.db2.gz BQECABZHGBFQES-WBMJQRKESA-N 2 2 347.488 1.753 20 0 EDADLP Cc1nccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2=O)n1 ZINC000363892438 153086941 /nfs/dbraw/zinc/08/69/41/153086941.db2.gz BVWLZVRIIDIHBL-KMFMINBZSA-N 2 2 331.464 1.348 20 0 EDADLP Cc1nccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)n1 ZINC000363892438 153086942 /nfs/dbraw/zinc/08/69/42/153086942.db2.gz BVWLZVRIIDIHBL-KMFMINBZSA-N 2 2 331.464 1.348 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)c[nH+]2)CC1 ZINC000364562774 153272262 /nfs/dbraw/zinc/27/22/62/153272262.db2.gz RLHVAJGDFWJRDA-VQIMIIECSA-N 2 2 328.460 1.934 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000364730594 153315899 /nfs/dbraw/zinc/31/58/99/153315899.db2.gz UMTKCNDQOQDMII-DLBZAZTESA-N 2 2 332.448 1.690 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CC(=O)NCC3CC3)[C@H](C)C2)s1 ZINC000364916581 153369226 /nfs/dbraw/zinc/36/92/26/153369226.db2.gz OCIRZEZQRHMYIF-WBMJQRKESA-N 2 2 336.505 1.778 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CC(=O)NCC3CC3)[C@H](C)C2)s1 ZINC000364916581 153369228 /nfs/dbraw/zinc/36/92/28/153369228.db2.gz OCIRZEZQRHMYIF-WBMJQRKESA-N 2 2 336.505 1.778 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364959197 153383988 /nfs/dbraw/zinc/38/39/88/153383988.db2.gz PAJNKBJLCIOHNS-XYPHTWIQSA-N 2 2 330.432 1.727 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000364959197 153383989 /nfs/dbraw/zinc/38/39/89/153383989.db2.gz PAJNKBJLCIOHNS-XYPHTWIQSA-N 2 2 330.432 1.727 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417228789 304385985 /nfs/dbraw/zinc/38/59/85/304385985.db2.gz WNWKHUDHXNJYCO-SECBINFHSA-N 2 2 340.225 1.504 20 0 EDADLP CN(CC[NH3+])C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417230861 304386281 /nfs/dbraw/zinc/38/62/81/304386281.db2.gz ZRQFJOOYDKWQBC-UHFFFAOYSA-N 2 2 326.198 1.197 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000417263233 304388360 /nfs/dbraw/zinc/38/83/60/304388360.db2.gz KJCLSLOFWZBAFM-KRWDZBQOSA-N 2 2 331.395 1.715 20 0 EDADLP CCSCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367108304 154011144 /nfs/dbraw/zinc/01/11/44/154011144.db2.gz UAGIJFCVXLTYMT-INIZCTEOSA-N 2 2 342.553 1.940 20 0 EDADLP CCSCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367108304 154011147 /nfs/dbraw/zinc/01/11/47/154011147.db2.gz UAGIJFCVXLTYMT-INIZCTEOSA-N 2 2 342.553 1.940 20 0 EDADLP CCC[C@H](C)[C@@H](CO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000574455925 306650961 /nfs/dbraw/zinc/65/09/61/306650961.db2.gz FSMCTGFLRWKMPJ-DLBZAZTESA-N 2 2 348.491 1.507 20 0 EDADLP C[NH2+][C@@H](C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000367649890 154212744 /nfs/dbraw/zinc/21/27/44/154212744.db2.gz AQFBGAZUTTUPDB-QGZVFWFLSA-N 2 2 342.447 1.203 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000367887637 154313055 /nfs/dbraw/zinc/31/30/55/154313055.db2.gz VKGNTVMIDYAPJP-UHFFFAOYSA-N 2 2 337.489 1.680 20 0 EDADLP c1ccc(NC[C@@H]2CCN(c3cc[nH+]c(N4CCOCC4)n3)C2)[nH+]c1 ZINC000368019219 154372294 /nfs/dbraw/zinc/37/22/94/154372294.db2.gz LVWUSYJIUYTOEZ-HNNXBMFYSA-N 2 2 340.431 1.647 20 0 EDADLP C[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369371303 155000368 /nfs/dbraw/zinc/00/03/68/155000368.db2.gz UWYZATVFAIQTBY-WBVHZDCISA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369371303 155000370 /nfs/dbraw/zinc/00/03/70/155000370.db2.gz UWYZATVFAIQTBY-WBVHZDCISA-N 2 2 345.491 1.953 20 0 EDADLP CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369375261 155002577 /nfs/dbraw/zinc/00/25/77/155002577.db2.gz WHTAMLYFGIRXJE-MRXNPFEDSA-N 2 2 331.464 1.392 20 0 EDADLP CN(Cc1ccncc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369375261 155002581 /nfs/dbraw/zinc/00/25/81/155002581.db2.gz WHTAMLYFGIRXJE-MRXNPFEDSA-N 2 2 331.464 1.392 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCN1C ZINC000369493941 155058977 /nfs/dbraw/zinc/05/89/77/155058977.db2.gz NCDBVERFIBKTDO-QGZVFWFLSA-N 2 2 341.459 1.611 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000369499612 155061472 /nfs/dbraw/zinc/06/14/72/155061472.db2.gz HIRFAXWJOIUIEK-IRXDYDNUSA-N 2 2 326.444 1.735 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000417396310 304396466 /nfs/dbraw/zinc/39/64/66/304396466.db2.gz SQPILXSUWGQJSH-CYBMUJFWSA-N 2 2 332.439 1.795 20 0 EDADLP C[C@H]1CN(C(=O)CCc2ccc(O)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371852052 156137721 /nfs/dbraw/zinc/13/77/21/156137721.db2.gz KCECCCAOBYJFIJ-INIZCTEOSA-N 2 2 345.487 1.952 20 0 EDADLP C[C@H]1CN(C(=O)CCc2ccc(O)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371852052 156137725 /nfs/dbraw/zinc/13/77/25/156137725.db2.gz KCECCCAOBYJFIJ-INIZCTEOSA-N 2 2 345.487 1.952 20 0 EDADLP COc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000371975026 156192834 /nfs/dbraw/zinc/19/28/34/156192834.db2.gz SAWQWVLCTCTVHO-OAHLLOKOSA-N 2 2 347.459 1.641 20 0 EDADLP COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000371975026 156192837 /nfs/dbraw/zinc/19/28/37/156192837.db2.gz SAWQWVLCTCTVHO-OAHLLOKOSA-N 2 2 347.459 1.641 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000372416472 156379174 /nfs/dbraw/zinc/37/91/74/156379174.db2.gz OZPUPXICFBNQOY-APWZRJJASA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000372416472 156379177 /nfs/dbraw/zinc/37/91/77/156379177.db2.gz OZPUPXICFBNQOY-APWZRJJASA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cc(F)ccc1C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000372416472 156379179 /nfs/dbraw/zinc/37/91/79/156379179.db2.gz OZPUPXICFBNQOY-APWZRJJASA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cc(F)ccc1C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000372416472 156379181 /nfs/dbraw/zinc/37/91/81/156379181.db2.gz OZPUPXICFBNQOY-APWZRJJASA-N 2 2 335.467 1.971 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cnn2ccccc12 ZINC000372416678 156379443 /nfs/dbraw/zinc/37/94/43/156379443.db2.gz QANUTMVSMWCIPF-AEFFLSMTSA-N 2 2 343.475 1.171 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cnn2ccccc12 ZINC000372416678 156379445 /nfs/dbraw/zinc/37/94/45/156379445.db2.gz QANUTMVSMWCIPF-AEFFLSMTSA-N 2 2 343.475 1.171 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cnn2ccccc12 ZINC000372416678 156379447 /nfs/dbraw/zinc/37/94/47/156379447.db2.gz QANUTMVSMWCIPF-AEFFLSMTSA-N 2 2 343.475 1.171 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cnn2ccccc12 ZINC000372416678 156379448 /nfs/dbraw/zinc/37/94/48/156379448.db2.gz QANUTMVSMWCIPF-AEFFLSMTSA-N 2 2 343.475 1.171 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)ccc1F ZINC000372415742 156379491 /nfs/dbraw/zinc/37/94/91/156379491.db2.gz JGMAOLUSALCLDF-FUHWJXTLSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)ccc1F ZINC000372415742 156379492 /nfs/dbraw/zinc/37/94/92/156379492.db2.gz JGMAOLUSALCLDF-FUHWJXTLSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)ccc1F ZINC000372415742 156379494 /nfs/dbraw/zinc/37/94/94/156379494.db2.gz JGMAOLUSALCLDF-FUHWJXTLSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)ccc1F ZINC000372415742 156379496 /nfs/dbraw/zinc/37/94/96/156379496.db2.gz JGMAOLUSALCLDF-FUHWJXTLSA-N 2 2 335.467 1.971 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000374255676 157215703 /nfs/dbraw/zinc/21/57/03/157215703.db2.gz RVVVROUBIQKFLN-CQSZACIVSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000374255676 157215707 /nfs/dbraw/zinc/21/57/07/157215707.db2.gz RVVVROUBIQKFLN-CQSZACIVSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000377885367 158020438 /nfs/dbraw/zinc/02/04/38/158020438.db2.gz SIBBQASZVHFYAL-OAHLLOKOSA-N 2 2 345.447 1.786 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1C ZINC000377885367 158020441 /nfs/dbraw/zinc/02/04/41/158020441.db2.gz SIBBQASZVHFYAL-OAHLLOKOSA-N 2 2 345.447 1.786 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000378113568 158081904 /nfs/dbraw/zinc/08/19/04/158081904.db2.gz LJPWFNLVWOMHJZ-WMLDXEAASA-N 2 2 342.447 1.525 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000378203418 158107606 /nfs/dbraw/zinc/10/76/06/158107606.db2.gz QURZIYYAGPLXNO-IRXDYDNUSA-N 2 2 338.540 1.816 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000378212971 158112117 /nfs/dbraw/zinc/11/21/17/158112117.db2.gz YACCKEYZDYMDNA-SFHVURJKSA-N 2 2 347.422 1.906 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000378345265 158147262 /nfs/dbraw/zinc/14/72/62/158147262.db2.gz IORGNANMIVOCFA-AWEZNQCLSA-N 2 2 347.463 1.722 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000378345265 158147265 /nfs/dbraw/zinc/14/72/65/158147265.db2.gz IORGNANMIVOCFA-AWEZNQCLSA-N 2 2 347.463 1.722 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3c[nH+]c4ccc(C)cn34)CCN2C1=O ZINC000378370364 158155937 /nfs/dbraw/zinc/15/59/37/158155937.db2.gz LGGSAYBYOPQIIP-AWEZNQCLSA-N 2 2 327.388 1.111 20 0 EDADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3c[nH+]c4ccc(C)cn34)CCN2C1=O ZINC000378370364 158155940 /nfs/dbraw/zinc/15/59/40/158155940.db2.gz LGGSAYBYOPQIIP-AWEZNQCLSA-N 2 2 327.388 1.111 20 0 EDADLP Cc1cc(=O)[nH]cc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378374011 158157172 /nfs/dbraw/zinc/15/71/72/158157172.db2.gz XGOZOHXOQYDUST-CQSZACIVSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1cc(=O)[nH]cc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378374011 158157174 /nfs/dbraw/zinc/15/71/74/158157174.db2.gz XGOZOHXOQYDUST-CQSZACIVSA-N 2 2 332.448 1.336 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378528706 158201246 /nfs/dbraw/zinc/20/12/46/158201246.db2.gz AMVNADBUEFSBCJ-KRWDZBQOSA-N 3 2 325.497 1.020 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378528706 158201249 /nfs/dbraw/zinc/20/12/49/158201249.db2.gz AMVNADBUEFSBCJ-KRWDZBQOSA-N 3 2 325.497 1.020 20 0 EDADLP CC(C)OC[C@H](CO)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352408042 162168686 /nfs/dbraw/zinc/16/86/86/162168686.db2.gz TZGVXKHZDPGWBJ-FQEVSTJZSA-N 2 2 349.519 1.916 20 0 EDADLP CC(C)OC[C@H](CO)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352408042 162168692 /nfs/dbraw/zinc/16/86/92/162168692.db2.gz TZGVXKHZDPGWBJ-FQEVSTJZSA-N 2 2 349.519 1.916 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352434711 162180984 /nfs/dbraw/zinc/18/09/84/162180984.db2.gz ZTJVVTWUIJFUMP-CEXWTWQISA-N 2 2 343.471 1.298 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352434711 162180987 /nfs/dbraw/zinc/18/09/87/162180987.db2.gz ZTJVVTWUIJFUMP-CEXWTWQISA-N 2 2 343.471 1.298 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352434711 162180990 /nfs/dbraw/zinc/18/09/90/162180990.db2.gz ZTJVVTWUIJFUMP-CEXWTWQISA-N 2 2 343.471 1.298 20 0 EDADLP CC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352434711 162180995 /nfs/dbraw/zinc/18/09/95/162180995.db2.gz ZTJVVTWUIJFUMP-CEXWTWQISA-N 2 2 343.471 1.298 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352488855 162208784 /nfs/dbraw/zinc/20/87/84/162208784.db2.gz VMNZQLUNJGPLRS-INIZCTEOSA-N 2 2 332.448 1.530 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352488855 162208785 /nfs/dbraw/zinc/20/87/85/162208785.db2.gz VMNZQLUNJGPLRS-INIZCTEOSA-N 2 2 332.448 1.530 20 0 EDADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352526386 162230646 /nfs/dbraw/zinc/23/06/46/162230646.db2.gz NCNMGUDQHGTAAI-CJNGLKHVSA-N 2 2 336.867 1.647 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3ccc(CO)cc3)CC2)cc[nH+]1 ZINC000352540262 162240111 /nfs/dbraw/zinc/24/01/11/162240111.db2.gz IXCFOICGDSOBMK-UHFFFAOYSA-N 2 2 327.432 1.357 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)c[nH+]2)CCO1 ZINC000364242437 162323310 /nfs/dbraw/zinc/32/33/10/162323310.db2.gz GSXZVDSSJWAYKU-HOCLYGCPSA-N 2 2 332.448 1.455 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000078687937 287294972 /nfs/dbraw/zinc/29/49/72/287294972.db2.gz HEYHYMVBGQWXFV-OAHLLOKOSA-N 2 2 334.464 1.268 20 0 EDADLP 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279319178 /nfs/dbraw/zinc/31/91/78/279319178.db2.gz ZWIKPEUDMRTQKR-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000120078384 279363016 /nfs/dbraw/zinc/36/30/16/279363016.db2.gz BQHFANHAKCVOKL-JKSUJKDBSA-N 2 2 339.505 1.074 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000333274686 288126891 /nfs/dbraw/zinc/12/68/91/288126891.db2.gz WRLVDLRGJCRFCT-BPLDGKMQSA-N 2 2 331.464 1.995 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000333274686 288126894 /nfs/dbraw/zinc/12/68/94/288126894.db2.gz WRLVDLRGJCRFCT-BPLDGKMQSA-N 2 2 331.464 1.995 20 0 EDADLP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000192013283 280086087 /nfs/dbraw/zinc/08/60/87/280086087.db2.gz LKWHUSBHQBLCQH-HOTGVXAUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000192013283 280086088 /nfs/dbraw/zinc/08/60/88/280086088.db2.gz LKWHUSBHQBLCQH-HOTGVXAUSA-N 2 2 325.497 1.819 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[NH+]2CCOCC2)c1 ZINC000289721715 288767920 /nfs/dbraw/zinc/76/79/20/288767920.db2.gz GEBZTWRORVBLGA-QRQLOZEOSA-N 2 2 345.487 1.873 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292050460 289248925 /nfs/dbraw/zinc/24/89/25/289248925.db2.gz BMAIWJLYYNUODI-QUCCMNQESA-N 3 2 344.503 1.433 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292050460 289248928 /nfs/dbraw/zinc/24/89/28/289248928.db2.gz BMAIWJLYYNUODI-QUCCMNQESA-N 3 2 344.503 1.433 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292050460 289248930 /nfs/dbraw/zinc/24/89/30/289248930.db2.gz BMAIWJLYYNUODI-QUCCMNQESA-N 3 2 344.503 1.433 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292166384 289278927 /nfs/dbraw/zinc/27/89/27/289278927.db2.gz PDZKAFKSYRVVJM-KPZWWZAWSA-N 2 2 343.431 1.211 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292166384 289278930 /nfs/dbraw/zinc/27/89/30/289278930.db2.gz PDZKAFKSYRVVJM-KPZWWZAWSA-N 2 2 343.431 1.211 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292166384 289278935 /nfs/dbraw/zinc/27/89/35/289278935.db2.gz PDZKAFKSYRVVJM-KPZWWZAWSA-N 2 2 343.431 1.211 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292166384 289278936 /nfs/dbraw/zinc/27/89/36/289278936.db2.gz PDZKAFKSYRVVJM-KPZWWZAWSA-N 2 2 343.431 1.211 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000292214553 289291050 /nfs/dbraw/zinc/29/10/50/289291050.db2.gz ZIUXAXIEEJOWTQ-QZTJIDSGSA-N 2 2 331.460 1.708 20 0 EDADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCn2c[nH+]cc2C1 ZINC000292358678 289324854 /nfs/dbraw/zinc/32/48/54/289324854.db2.gz JXGTZQKLHDXBOQ-UHFFFAOYSA-N 2 2 339.443 1.857 20 0 EDADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCn2c[nH+]cc2C1 ZINC000292358678 289324856 /nfs/dbraw/zinc/32/48/56/289324856.db2.gz JXGTZQKLHDXBOQ-UHFFFAOYSA-N 2 2 339.443 1.857 20 0 EDADLP COC[C@]1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000495751377 293295811 /nfs/dbraw/zinc/29/58/11/293295811.db2.gz YSHLSJCALGZIFS-RLFYNMQTSA-N 2 2 341.496 1.942 20 0 EDADLP COC[C@]1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C ZINC000495751377 293295813 /nfs/dbraw/zinc/29/58/13/293295813.db2.gz YSHLSJCALGZIFS-RLFYNMQTSA-N 2 2 341.496 1.942 20 0 EDADLP C[C@@H]1C[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C[C@@H](C)S1 ZINC000496938426 297010531 /nfs/dbraw/zinc/01/05/31/297010531.db2.gz MHQKPEVVYCZTLS-IOASZLSFSA-N 2 2 325.478 1.686 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000261941833 295225593 /nfs/dbraw/zinc/22/55/93/295225593.db2.gz DUCJNMXBMNBYFP-KRWDZBQOSA-N 2 2 342.447 1.087 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nn1 ZINC000261941833 295225595 /nfs/dbraw/zinc/22/55/95/295225595.db2.gz DUCJNMXBMNBYFP-KRWDZBQOSA-N 2 2 342.447 1.087 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCN2CCc3ccccc32)CC[N@@H+]1C ZINC000123515358 297259163 /nfs/dbraw/zinc/25/91/63/297259163.db2.gz IQDCACJPRYNQKZ-AEFFLSMTSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCN2CCc3ccccc32)CC[N@H+]1C ZINC000123515358 297259164 /nfs/dbraw/zinc/25/91/64/297259164.db2.gz IQDCACJPRYNQKZ-AEFFLSMTSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCCN2CCc3ccccc32)CC[NH+]1C ZINC000123515358 297259166 /nfs/dbraw/zinc/25/91/66/297259166.db2.gz IQDCACJPRYNQKZ-AEFFLSMTSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCCN2CCc3ccccc32)CC[NH+]1C ZINC000123515358 297259167 /nfs/dbraw/zinc/25/91/67/297259167.db2.gz IQDCACJPRYNQKZ-AEFFLSMTSA-N 2 2 344.503 1.580 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418575181 304514472 /nfs/dbraw/zinc/51/44/72/304514472.db2.gz MUKSCBISWRSWSA-WMLDXEAASA-N 2 2 334.439 1.651 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418694845 304529212 /nfs/dbraw/zinc/52/92/12/304529212.db2.gz KXGPHCCJWRLFOJ-GJZGRUSLSA-N 2 2 349.479 1.828 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000420373393 304753041 /nfs/dbraw/zinc/75/30/41/304753041.db2.gz YZIMNTIJGLOIOL-HNNXBMFYSA-N 2 2 344.459 1.728 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000416989364 302031647 /nfs/dbraw/zinc/03/16/47/302031647.db2.gz DLTHRHLVSXDAOK-WBVHZDCISA-N 2 2 334.464 1.405 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000493399252 447319880 /nfs/dbraw/zinc/31/98/80/447319880.db2.gz HTBNQINXPTZUQC-VOTSOKGWSA-N 2 2 325.416 1.361 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000294346043 303094913 /nfs/dbraw/zinc/09/49/13/303094913.db2.gz KBHGRMFXSZBHDG-LBPRGKRZSA-N 2 2 346.435 1.196 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000295270914 303197787 /nfs/dbraw/zinc/19/77/87/303197787.db2.gz VPSFTSLPCNCAEE-YOEHRIQHSA-N 2 2 333.432 1.091 20 0 EDADLP CC[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C[C@H](C)O ZINC000295374950 303211347 /nfs/dbraw/zinc/21/13/47/303211347.db2.gz RZELSVMNKHQADB-HOCLYGCPSA-N 2 2 343.431 1.185 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000297125421 303362495 /nfs/dbraw/zinc/36/24/95/303362495.db2.gz YFHABTNOSMYSBD-HNNXBMFYSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000297899239 303464404 /nfs/dbraw/zinc/46/44/04/303464404.db2.gz SFBOGCDZUTWEHO-GOSISDBHSA-N 2 2 342.443 1.690 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)/C=C/c3[nH]cc[nH+]3)CCCC2)CC1 ZINC000493490784 447334793 /nfs/dbraw/zinc/33/47/93/447334793.db2.gz POHZNQZVTYNMQB-SNAWJCMRSA-N 2 2 332.448 1.963 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000422936162 304880475 /nfs/dbraw/zinc/88/04/75/304880475.db2.gz FAVUGPSIUAWIPY-BRWVUGGUSA-N 2 2 347.459 1.330 20 0 EDADLP O[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCCCC1 ZINC000422971655 304881927 /nfs/dbraw/zinc/88/19/27/304881927.db2.gz JIAOYUGVUKYKAQ-KPFFTGBYSA-N 3 2 345.487 1.679 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000423299260 304891610 /nfs/dbraw/zinc/89/16/10/304891610.db2.gz BMJXIUUUMDHQPX-SJLPKXTDSA-N 2 2 333.476 1.829 20 0 EDADLP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423705957 304904810 /nfs/dbraw/zinc/90/48/10/304904810.db2.gz AHECUZGBKIOCHC-KRWDZBQOSA-N 2 2 331.435 1.860 20 0 EDADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425258358 304957658 /nfs/dbraw/zinc/95/76/58/304957658.db2.gz SPYZAGDNZAVPFE-QFBILLFUSA-N 2 2 344.459 1.751 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428035165 305004630 /nfs/dbraw/zinc/00/46/30/305004630.db2.gz PCNBVOCRXVTXMX-DXCKQFNASA-N 2 2 330.432 1.656 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428035165 305004631 /nfs/dbraw/zinc/00/46/31/305004631.db2.gz PCNBVOCRXVTXMX-DXCKQFNASA-N 2 2 330.432 1.656 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000428038326 305004945 /nfs/dbraw/zinc/00/49/45/305004945.db2.gz XOXMNVVTYLKRNF-PKOBYXMFSA-N 2 2 342.487 1.327 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)c1 ZINC000428038326 305004946 /nfs/dbraw/zinc/00/49/46/305004946.db2.gz XOXMNVVTYLKRNF-PKOBYXMFSA-N 2 2 342.487 1.327 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000428041688 305005174 /nfs/dbraw/zinc/00/51/74/305005174.db2.gz RNAXERIOIWUTTJ-RDJZCZTQSA-N 2 2 346.450 1.158 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000428041688 305005175 /nfs/dbraw/zinc/00/51/75/305005175.db2.gz RNAXERIOIWUTTJ-RDJZCZTQSA-N 2 2 346.450 1.158 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000429168261 305025143 /nfs/dbraw/zinc/02/51/43/305025143.db2.gz BWMAYHZJGZVVKN-RKVPGOIHSA-N 2 2 348.466 1.532 20 0 EDADLP CC[C@@H]1OCCC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000429779237 305036913 /nfs/dbraw/zinc/03/69/13/305036913.db2.gz LWVZUNSUIUMRDO-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@@H]1OCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000429779237 305036914 /nfs/dbraw/zinc/03/69/14/305036914.db2.gz LWVZUNSUIUMRDO-IRXDYDNUSA-N 2 2 325.497 1.676 20 0 EDADLP C[NH2+]C[C@H]1CCCN1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000430574345 305056688 /nfs/dbraw/zinc/05/66/88/305056688.db2.gz NYMZALBQWMJJRK-GOSISDBHSA-N 2 2 346.475 1.141 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430587666 305057451 /nfs/dbraw/zinc/05/74/51/305057451.db2.gz AAANCSIZNJAASV-RYUDHWBXSA-N 2 2 348.403 1.123 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430587666 305057452 /nfs/dbraw/zinc/05/74/52/305057452.db2.gz AAANCSIZNJAASV-RYUDHWBXSA-N 2 2 348.403 1.123 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[NH+]1CCC([NH3+])CC1 ZINC000430604192 305058078 /nfs/dbraw/zinc/05/80/78/305058078.db2.gz PMSVINGMTMSXCC-ZDUSSCGKSA-N 2 2 330.432 1.564 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604330 305058091 /nfs/dbraw/zinc/05/80/91/305058091.db2.gz MTQWOTPEKMMRDQ-RBSFLKMASA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604330 305058092 /nfs/dbraw/zinc/05/80/92/305058092.db2.gz MTQWOTPEKMMRDQ-RBSFLKMASA-N 2 2 333.432 1.002 20 0 EDADLP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604435 305058339 /nfs/dbraw/zinc/05/83/39/305058339.db2.gz NDZWLQIQXWGUMF-ZDUSSCGKSA-N 2 2 330.432 1.421 20 0 EDADLP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604435 305058340 /nfs/dbraw/zinc/05/83/40/305058340.db2.gz NDZWLQIQXWGUMF-ZDUSSCGKSA-N 2 2 330.432 1.421 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000430623136 305059858 /nfs/dbraw/zinc/05/98/58/305059858.db2.gz GTARYLJEICOWDS-UKRRQHHQSA-N 2 2 332.448 1.903 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)C1 ZINC000430623136 305059859 /nfs/dbraw/zinc/05/98/59/305059859.db2.gz GTARYLJEICOWDS-UKRRQHHQSA-N 2 2 332.448 1.903 20 0 EDADLP CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430643973 305060909 /nfs/dbraw/zinc/06/09/09/305060909.db2.gz YJSMOACKQWTLDC-NEPJUHHUSA-N 2 2 326.466 1.137 20 0 EDADLP CO[C@H](C)c1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430643973 305060910 /nfs/dbraw/zinc/06/09/10/305060910.db2.gz YJSMOACKQWTLDC-NEPJUHHUSA-N 2 2 326.466 1.137 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@H]3CC[NH2+]C3)CCCCCC2)no1 ZINC000430692358 305062570 /nfs/dbraw/zinc/06/25/70/305062570.db2.gz ROBNRCYZWDHCQQ-ZDUSSCGKSA-N 2 2 335.452 1.406 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430741851 305063721 /nfs/dbraw/zinc/06/37/21/305063721.db2.gz FEQVEPSUSREXSY-VBQJREDUSA-N 2 2 335.448 1.311 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000430741851 305063722 /nfs/dbraw/zinc/06/37/22/305063722.db2.gz FEQVEPSUSREXSY-VBQJREDUSA-N 2 2 335.448 1.311 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000430923839 305068495 /nfs/dbraw/zinc/06/84/95/305068495.db2.gz GQNARJKEHBAJAL-GJZGRUSLSA-N 2 2 344.459 1.682 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000430923839 305068496 /nfs/dbraw/zinc/06/84/96/305068496.db2.gz GQNARJKEHBAJAL-GJZGRUSLSA-N 2 2 344.459 1.682 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430934934 305069137 /nfs/dbraw/zinc/06/91/37/305069137.db2.gz OHFXRGSZUWTFCC-OWCLPIDISA-N 2 2 346.475 1.416 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430934934 305069138 /nfs/dbraw/zinc/06/91/38/305069138.db2.gz OHFXRGSZUWTFCC-OWCLPIDISA-N 2 2 346.475 1.416 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000430937470 305069488 /nfs/dbraw/zinc/06/94/88/305069488.db2.gz CACODFDKQJEAPT-XJKSGUPXSA-N 2 2 330.457 1.629 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2nccs2)c2ccccc2)C1 ZINC000430937470 305069489 /nfs/dbraw/zinc/06/94/89/305069489.db2.gz CACODFDKQJEAPT-XJKSGUPXSA-N 2 2 330.457 1.629 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430960294 305071039 /nfs/dbraw/zinc/07/10/39/305071039.db2.gz ICAVIBINBDUZDF-LSDHHAIUSA-N 2 2 332.448 1.027 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430960294 305071040 /nfs/dbraw/zinc/07/10/40/305071040.db2.gz ICAVIBINBDUZDF-LSDHHAIUSA-N 2 2 332.448 1.027 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430963033 305071267 /nfs/dbraw/zinc/07/12/67/305071267.db2.gz RVHBRTCEQSVHAI-ZIAGYGMSSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430963033 305071268 /nfs/dbraw/zinc/07/12/68/305071268.db2.gz RVHBRTCEQSVHAI-ZIAGYGMSSA-N 2 2 330.432 1.421 20 0 EDADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)n1 ZINC000431096591 305075197 /nfs/dbraw/zinc/07/51/97/305075197.db2.gz KPRYSFLAVWYHIH-UHFFFAOYSA-N 2 2 349.479 1.924 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[NH+]1CCOCC1 ZINC000433376126 305106777 /nfs/dbraw/zinc/10/67/77/305106777.db2.gz QZHPHLOWXHMWOY-SZMVWBNQSA-N 2 2 346.475 1.254 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[NH+]1CCOCC1 ZINC000433376126 305106778 /nfs/dbraw/zinc/10/67/78/305106778.db2.gz QZHPHLOWXHMWOY-SZMVWBNQSA-N 2 2 346.475 1.254 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433913558 305114337 /nfs/dbraw/zinc/11/43/37/305114337.db2.gz DLWZIWOSOFDLDY-MRXNPFEDSA-N 2 2 338.496 1.415 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433913558 305114338 /nfs/dbraw/zinc/11/43/38/305114338.db2.gz DLWZIWOSOFDLDY-MRXNPFEDSA-N 2 2 338.496 1.415 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000433909099 305114363 /nfs/dbraw/zinc/11/43/63/305114363.db2.gz RZOKZSVXCFFYND-CQSZACIVSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000433944242 305115491 /nfs/dbraw/zinc/11/54/91/305115491.db2.gz VBDWDLVMPFYUAR-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000433944242 305115492 /nfs/dbraw/zinc/11/54/92/305115492.db2.gz VBDWDLVMPFYUAR-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434462507 305123280 /nfs/dbraw/zinc/12/32/80/305123280.db2.gz FZQDBPMZCXTJHC-UHFFFAOYSA-N 2 2 340.512 1.615 20 0 EDADLP C[N@H+](CC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000434656000 305126369 /nfs/dbraw/zinc/12/63/69/305126369.db2.gz KWCJLHXDVCUONQ-LJQANCHMSA-N 2 2 345.487 1.688 20 0 EDADLP C[N@@H+](CC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000434656000 305126370 /nfs/dbraw/zinc/12/63/70/305126370.db2.gz KWCJLHXDVCUONQ-LJQANCHMSA-N 2 2 345.487 1.688 20 0 EDADLP C[NH+](CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000434656000 305126371 /nfs/dbraw/zinc/12/63/71/305126371.db2.gz KWCJLHXDVCUONQ-LJQANCHMSA-N 2 2 345.487 1.688 20 0 EDADLP C[NH+](CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000434656000 305126372 /nfs/dbraw/zinc/12/63/72/305126372.db2.gz KWCJLHXDVCUONQ-LJQANCHMSA-N 2 2 345.487 1.688 20 0 EDADLP COc1cc(C)[nH+]c(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1 ZINC000435058803 305135581 /nfs/dbraw/zinc/13/55/81/305135581.db2.gz VGMLDXAIHFAMOB-UHFFFAOYSA-N 2 2 340.427 1.854 20 0 EDADLP COc1cc(C)[nH+]c(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1 ZINC000435058803 305135582 /nfs/dbraw/zinc/13/55/82/305135582.db2.gz VGMLDXAIHFAMOB-UHFFFAOYSA-N 2 2 340.427 1.854 20 0 EDADLP CCOc1cc(C[N@@H+]2CCC[NH2+]CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000435388803 305139767 /nfs/dbraw/zinc/13/97/67/305139767.db2.gz ISWOKQCRBDXDRM-OAHLLOKOSA-N 2 2 349.475 1.736 20 0 EDADLP CCOc1cc(C[N@H+]2CCC[NH2+]CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000435388803 305139768 /nfs/dbraw/zinc/13/97/68/305139768.db2.gz ISWOKQCRBDXDRM-OAHLLOKOSA-N 2 2 349.475 1.736 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cnns1)[C@H]1CC12CC[NH2+]CC2 ZINC000435564010 305142377 /nfs/dbraw/zinc/14/23/77/305142377.db2.gz NZMQENRGUMBFCH-ZDUSSCGKSA-N 2 2 346.460 1.539 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC[C@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435565169 305142494 /nfs/dbraw/zinc/14/24/94/305142494.db2.gz RHPKIYQFGQLPLY-HZPDHXFCSA-N 2 2 346.475 1.850 20 0 EDADLP Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)CCn1cc[nH+]c1 ZINC000435596967 305143011 /nfs/dbraw/zinc/14/30/11/305143011.db2.gz JQNPPGRDBNBMHL-AWEZNQCLSA-N 2 2 333.461 1.676 20 0 EDADLP C[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435624696 305143841 /nfs/dbraw/zinc/14/38/41/305143841.db2.gz JPZQHHSEEYHKLS-MSOLQXFVSA-N 2 2 349.450 1.800 20 0 EDADLP C[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000435624696 305143842 /nfs/dbraw/zinc/14/38/42/305143842.db2.gz JPZQHHSEEYHKLS-MSOLQXFVSA-N 2 2 349.450 1.800 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000435987463 305150550 /nfs/dbraw/zinc/15/05/50/305150550.db2.gz YAUFNIARKDPBEH-JKSUJKDBSA-N 2 2 331.464 1.347 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000435987463 305150551 /nfs/dbraw/zinc/15/05/51/305150551.db2.gz YAUFNIARKDPBEH-JKSUJKDBSA-N 2 2 331.464 1.347 20 0 EDADLP Cn1ncc2c1nc(N1CC[C@@H](OCC[NH+]3CCCCC3)C1)[nH+]c2N ZINC000436390834 305156585 /nfs/dbraw/zinc/15/65/85/305156585.db2.gz QGBWLTCCNHXYIX-CYBMUJFWSA-N 2 2 345.451 1.027 20 0 EDADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000441329536 305220919 /nfs/dbraw/zinc/22/09/19/305220919.db2.gz FJJSMFBLGUSOPA-JKSUJKDBSA-N 2 2 335.448 1.423 20 0 EDADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000441329536 305220920 /nfs/dbraw/zinc/22/09/20/305220920.db2.gz FJJSMFBLGUSOPA-JKSUJKDBSA-N 2 2 335.448 1.423 20 0 EDADLP C[C@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)S(C)(=O)=O ZINC000451044917 305331871 /nfs/dbraw/zinc/33/18/71/305331871.db2.gz CEDOFAJCWZBENA-NJAFHUGGSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)S(C)(=O)=O ZINC000451044917 305331872 /nfs/dbraw/zinc/33/18/72/305331872.db2.gz CEDOFAJCWZBENA-NJAFHUGGSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)S(C)(=O)=O ZINC000451044917 305331873 /nfs/dbraw/zinc/33/18/73/305331873.db2.gz CEDOFAJCWZBENA-NJAFHUGGSA-N 2 2 336.501 1.873 20 0 EDADLP C[C@H](C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)S(C)(=O)=O ZINC000451044917 305331874 /nfs/dbraw/zinc/33/18/74/305331874.db2.gz CEDOFAJCWZBENA-NJAFHUGGSA-N 2 2 336.501 1.873 20 0 EDADLP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451231049 305334757 /nfs/dbraw/zinc/33/47/57/305334757.db2.gz PEAVKNVRVDOYOS-NNXHMXCWSA-N 2 2 342.480 1.168 20 0 EDADLP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000451231049 305334758 /nfs/dbraw/zinc/33/47/58/305334758.db2.gz PEAVKNVRVDOYOS-NNXHMXCWSA-N 2 2 342.480 1.168 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3COCC3(C)C)CC2)c1 ZINC000451825023 305371131 /nfs/dbraw/zinc/37/11/31/305371131.db2.gz NBJISTBXOVSYOC-SFHVURJKSA-N 2 2 345.487 1.654 20 0 EDADLP C[C@H]1C[C@@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000452095072 305382376 /nfs/dbraw/zinc/38/23/76/305382376.db2.gz KQGNQAAXVOYFTC-FUHWJXTLSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@H]1C[C@@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000452095072 305382377 /nfs/dbraw/zinc/38/23/77/305382377.db2.gz KQGNQAAXVOYFTC-FUHWJXTLSA-N 2 2 331.460 1.034 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCc1c[nH+]c2n1CCCC2)C1CC1 ZINC000515080346 305714836 /nfs/dbraw/zinc/71/48/36/305714836.db2.gz QGWRSBUANPAPKG-HNNXBMFYSA-N 2 2 328.420 1.903 20 0 EDADLP CC(=O)Nc1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000515414166 305721286 /nfs/dbraw/zinc/72/12/86/305721286.db2.gz DTUIHXQSZAJPSN-DEYYWGMASA-N 2 2 335.448 1.205 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000377794790 447359059 /nfs/dbraw/zinc/35/90/59/447359059.db2.gz MKCCJFSFOOXNSX-BZUAXINKSA-N 2 2 335.452 1.072 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000377794790 447359064 /nfs/dbraw/zinc/35/90/64/447359064.db2.gz MKCCJFSFOOXNSX-BZUAXINKSA-N 2 2 335.452 1.072 20 0 EDADLP CC[C@H](C)OCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000517374822 305751962 /nfs/dbraw/zinc/75/19/62/305751962.db2.gz AWDFOTLKYFLLMC-LSDHHAIUSA-N 2 2 334.464 1.706 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458426822 447361363 /nfs/dbraw/zinc/36/13/63/447361363.db2.gz MDKOBPXLAUPPAD-HNNXBMFYSA-N 2 2 337.468 1.185 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458426822 447361367 /nfs/dbraw/zinc/36/13/67/447361367.db2.gz MDKOBPXLAUPPAD-HNNXBMFYSA-N 2 2 337.468 1.185 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534129483 306003880 /nfs/dbraw/zinc/00/38/80/306003880.db2.gz REQMTMUZLYOTDK-UHFFFAOYSA-N 2 2 342.447 1.350 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)CCC2 ZINC000534531080 306007535 /nfs/dbraw/zinc/00/75/35/306007535.db2.gz YJOFMGWOAWWHTK-AWEZNQCLSA-N 2 2 328.420 1.297 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000535061764 306011818 /nfs/dbraw/zinc/01/18/18/306011818.db2.gz NUNHGERUKSIKIP-UHFFFAOYSA-N 2 2 347.463 1.138 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000538685165 306032292 /nfs/dbraw/zinc/03/22/92/306032292.db2.gz QLRJLYHEFCDYAQ-UHFFFAOYSA-N 2 2 325.416 1.506 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)ccc2[nH+]1 ZINC000539176461 306034773 /nfs/dbraw/zinc/03/47/73/306034773.db2.gz DDVRFSITWBTBCD-CQSZACIVSA-N 2 2 343.431 1.428 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H]3CC[N@H+](C(C)C)C3)ccc2[nH+]1 ZINC000539176461 306034774 /nfs/dbraw/zinc/03/47/74/306034774.db2.gz DDVRFSITWBTBCD-CQSZACIVSA-N 2 2 343.431 1.428 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000543236594 306061801 /nfs/dbraw/zinc/06/18/01/306061801.db2.gz RSUSMRKKWVQHMB-JKSUJKDBSA-N 2 2 343.475 1.847 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000543236594 306061802 /nfs/dbraw/zinc/06/18/02/306061802.db2.gz RSUSMRKKWVQHMB-JKSUJKDBSA-N 2 2 343.475 1.847 20 0 EDADLP Cc1cncc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000545233276 306082880 /nfs/dbraw/zinc/08/28/80/306082880.db2.gz ONGGDCWVULRKRL-ZBFHGGJFSA-N 2 2 327.432 1.965 20 0 EDADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000548317792 306124318 /nfs/dbraw/zinc/12/43/18/306124318.db2.gz KGVNCJGPHXDDIG-KBPBESRZSA-N 2 2 338.411 1.862 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000548779735 306137750 /nfs/dbraw/zinc/13/77/50/306137750.db2.gz CQHWBNPKPKSHIO-OAHLLOKOSA-N 2 2 326.404 1.638 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000548779735 306137751 /nfs/dbraw/zinc/13/77/51/306137751.db2.gz CQHWBNPKPKSHIO-OAHLLOKOSA-N 2 2 326.404 1.638 20 0 EDADLP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000554463429 306191967 /nfs/dbraw/zinc/19/19/67/306191967.db2.gz UHQNWGGEQTYIJL-HNNXBMFYSA-N 2 2 328.420 1.790 20 0 EDADLP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000554463429 306191968 /nfs/dbraw/zinc/19/19/68/306191968.db2.gz UHQNWGGEQTYIJL-HNNXBMFYSA-N 2 2 328.420 1.790 20 0 EDADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H]1COc2ccccc2O1 ZINC000555880225 306206720 /nfs/dbraw/zinc/20/67/20/306206720.db2.gz IPSHPZCYWWFRSY-HOTGVXAUSA-N 2 2 338.448 1.087 20 0 EDADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H]1COc2ccccc2O1 ZINC000555880225 306206721 /nfs/dbraw/zinc/20/67/21/306206721.db2.gz IPSHPZCYWWFRSY-HOTGVXAUSA-N 2 2 338.448 1.087 20 0 EDADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@H]1COc2ccccc2O1 ZINC000555880225 306206722 /nfs/dbraw/zinc/20/67/22/306206722.db2.gz IPSHPZCYWWFRSY-HOTGVXAUSA-N 2 2 338.448 1.087 20 0 EDADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@H]1COc2ccccc2O1 ZINC000555880225 306206723 /nfs/dbraw/zinc/20/67/23/306206723.db2.gz IPSHPZCYWWFRSY-HOTGVXAUSA-N 2 2 338.448 1.087 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)CC(C(C)C)C(C)C ZINC000556617744 306212175 /nfs/dbraw/zinc/21/21/75/306212175.db2.gz OXJYLXKHDNFAGG-UHFFFAOYSA-N 2 2 327.513 1.637 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)CC(C(C)C)C(C)C ZINC000556617744 306212176 /nfs/dbraw/zinc/21/21/76/306212176.db2.gz OXJYLXKHDNFAGG-UHFFFAOYSA-N 2 2 327.513 1.637 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000414952431 447372850 /nfs/dbraw/zinc/37/28/50/447372850.db2.gz IGDZHCHXIAWRFU-UHFFFAOYSA-N 2 2 328.363 1.234 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC[C@@H](C)OC)CC2)CC1 ZINC000422161117 447380383 /nfs/dbraw/zinc/38/03/83/447380383.db2.gz UDIQOVUNPIHAEO-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC[C@@H](C)OC)CC2)CC1 ZINC000422161117 447380385 /nfs/dbraw/zinc/38/03/85/447380385.db2.gz UDIQOVUNPIHAEO-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP C[NH+]1CCC(CNC(=O)/C=C\[C@H]2CCOC2)([NH+]2CCCCC2)CC1 ZINC000493783301 447394300 /nfs/dbraw/zinc/39/43/00/447394300.db2.gz HKKZVIZYKBNKNH-OSJSJHBBSA-N 2 2 335.492 1.646 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)COC)CC2)CC1 ZINC000422192545 447396998 /nfs/dbraw/zinc/39/69/98/447396998.db2.gz ZEBRIUMWHOKZQL-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H](C)COC)CC2)CC1 ZINC000422192545 447397003 /nfs/dbraw/zinc/39/70/03/447397003.db2.gz ZEBRIUMWHOKZQL-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H]3CC34CC4)CC2)CC1 ZINC000422206880 447403704 /nfs/dbraw/zinc/40/37/04/447403704.db2.gz LKEMWMFJVZCOIV-INIZCTEOSA-N 2 2 334.508 1.988 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H]3CC34CC4)CC2)CC1 ZINC000422206880 447403708 /nfs/dbraw/zinc/40/37/08/447403708.db2.gz LKEMWMFJVZCOIV-INIZCTEOSA-N 2 2 334.508 1.988 20 0 EDADLP COCCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000378160764 447404748 /nfs/dbraw/zinc/40/47/48/447404748.db2.gz NWDQKQFXWYGDSA-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP COCCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000378160764 447404753 /nfs/dbraw/zinc/40/47/53/447404753.db2.gz NWDQKQFXWYGDSA-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP CCOC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCC1 ZINC000458578692 447419597 /nfs/dbraw/zinc/41/95/97/447419597.db2.gz DWISESHZBHSRJO-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000422261494 447430701 /nfs/dbraw/zinc/43/07/01/447430701.db2.gz PEQVKMDXOWZXQN-CZUORRHYSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000422261494 447430704 /nfs/dbraw/zinc/43/07/04/447430704.db2.gz PEQVKMDXOWZXQN-CZUORRHYSA-N 2 2 346.475 1.551 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]c2c1 ZINC000080102930 441141465 /nfs/dbraw/zinc/14/14/65/441141465.db2.gz WMXRUVPNHCOOCW-AWEZNQCLSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)[nH+]c2c1 ZINC000080102930 441141467 /nfs/dbraw/zinc/14/14/67/441141467.db2.gz WMXRUVPNHCOOCW-AWEZNQCLSA-N 2 2 327.432 1.926 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H](C)O1 ZINC000047434581 441187703 /nfs/dbraw/zinc/18/77/03/441187703.db2.gz XLYHGZYZQHWXRI-HUUCEWRRSA-N 2 2 343.431 1.496 20 0 EDADLP CC[C@H](C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072515781 441233954 /nfs/dbraw/zinc/23/39/54/441233954.db2.gz GYSGRKKVDASZRB-INIZCTEOSA-N 2 2 333.476 1.865 20 0 EDADLP CC[C@H](C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000072515781 441233959 /nfs/dbraw/zinc/23/39/59/441233959.db2.gz GYSGRKKVDASZRB-INIZCTEOSA-N 2 2 333.476 1.865 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000105166688 441239852 /nfs/dbraw/zinc/23/98/52/441239852.db2.gz PNADHIXNTRCTAX-LSDHHAIUSA-N 2 2 340.512 1.658 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000047597919 441208006 /nfs/dbraw/zinc/20/80/06/441208006.db2.gz FRPVLEJCNUGCQV-UHFFFAOYSA-N 2 2 328.420 1.768 20 0 EDADLP C[N@H+](CC(=O)Nc1nncs1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968361 441213394 /nfs/dbraw/zinc/21/33/94/441213394.db2.gz YXUIACQSRVQHNZ-UHFFFAOYSA-N 2 2 332.433 1.472 20 0 EDADLP C[N@@H+](CC(=O)Nc1nncs1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968361 441213399 /nfs/dbraw/zinc/21/33/99/441213399.db2.gz YXUIACQSRVQHNZ-UHFFFAOYSA-N 2 2 332.433 1.472 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000072851016 441269769 /nfs/dbraw/zinc/26/97/69/441269769.db2.gz ODVZTXJMJKAALJ-CQSZACIVSA-N 2 2 343.431 1.657 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000048956331 441338870 /nfs/dbraw/zinc/33/88/70/441338870.db2.gz NEKOCJBRDDSGQT-AWEZNQCLSA-N 2 2 344.419 1.003 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000030515602 441494725 /nfs/dbraw/zinc/49/47/25/441494725.db2.gz AIDBHBRTCYBDFP-GOSISDBHSA-N 2 2 342.443 1.959 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000030515602 441494731 /nfs/dbraw/zinc/49/47/31/441494731.db2.gz AIDBHBRTCYBDFP-GOSISDBHSA-N 2 2 342.443 1.959 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(C(N)=O)c2)nc[nH+]1 ZINC000075128732 441498669 /nfs/dbraw/zinc/49/86/69/441498669.db2.gz KGSZAVPQDLAURD-HNNXBMFYSA-N 2 2 340.431 1.376 20 0 EDADLP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000108481837 441456595 /nfs/dbraw/zinc/45/65/95/441456595.db2.gz OTACVALBTRUTPJ-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP CN(C(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000066534238 441541726 /nfs/dbraw/zinc/54/17/26/441541726.db2.gz NDEGMBZCKSJFSH-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP CN(C(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000066534238 441541729 /nfs/dbraw/zinc/54/17/29/441541729.db2.gz NDEGMBZCKSJFSH-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCCS2)([NH+]2CCCCC2)CC1 ZINC000075158786 441505196 /nfs/dbraw/zinc/50/51/96/441505196.db2.gz LJCVXIVDZADFGB-HNNXBMFYSA-N 2 2 325.522 1.949 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000066177497 441510234 /nfs/dbraw/zinc/51/02/34/441510234.db2.gz GYIDDVAUXJSMKZ-CQSZACIVSA-N 2 2 330.436 1.797 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000066177497 441510236 /nfs/dbraw/zinc/51/02/36/441510236.db2.gz GYIDDVAUXJSMKZ-CQSZACIVSA-N 2 2 330.436 1.797 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2[nH+]c1C1CC1 ZINC000089947135 441602255 /nfs/dbraw/zinc/60/22/55/441602255.db2.gz MVDDXNPZMLHZMD-UHFFFAOYSA-N 2 2 329.404 1.067 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000090046663 441617554 /nfs/dbraw/zinc/61/75/54/441617554.db2.gz XTAIJALWGWEJNS-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000114475661 441662449 /nfs/dbraw/zinc/66/24/49/441662449.db2.gz MRWNBXNYZXVBGI-UHFFFAOYSA-N 2 2 331.464 1.967 20 0 EDADLP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000114475661 441662450 /nfs/dbraw/zinc/66/24/50/441662450.db2.gz MRWNBXNYZXVBGI-UHFFFAOYSA-N 2 2 331.464 1.967 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000056664789 441732868 /nfs/dbraw/zinc/73/28/68/441732868.db2.gz OWAYREQLEMUUOQ-HNNXBMFYSA-N 2 2 347.488 1.903 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158616949 441750793 /nfs/dbraw/zinc/75/07/93/441750793.db2.gz QSNLJOPWPTXRIK-QAPCUYQASA-N 2 2 349.450 1.737 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158616949 441750803 /nfs/dbraw/zinc/75/08/03/441750803.db2.gz QSNLJOPWPTXRIK-QAPCUYQASA-N 2 2 349.450 1.737 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158616949 441750812 /nfs/dbraw/zinc/75/08/12/441750812.db2.gz QSNLJOPWPTXRIK-QAPCUYQASA-N 2 2 349.450 1.737 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCCOc3ccc(F)cc3)CC[C@@H]21 ZINC000158616949 441750821 /nfs/dbraw/zinc/75/08/21/441750821.db2.gz QSNLJOPWPTXRIK-QAPCUYQASA-N 2 2 349.450 1.737 20 0 EDADLP CC1CC[NH+](CC(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000137575411 441774024 /nfs/dbraw/zinc/77/40/24/441774024.db2.gz DFDQZYQYEDPZNR-UHFFFAOYSA-N 2 2 332.448 1.857 20 0 EDADLP C[N@@H+](CC(=O)NCCc1c(F)cccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000118841927 441905185 /nfs/dbraw/zinc/90/51/85/441905185.db2.gz DFALMILDOQSCDN-AWEZNQCLSA-N 2 2 339.430 1.897 20 0 EDADLP C[N@H+](CC(=O)NCCc1c(F)cccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000118841927 441905189 /nfs/dbraw/zinc/90/51/89/441905189.db2.gz DFALMILDOQSCDN-AWEZNQCLSA-N 2 2 339.430 1.897 20 0 EDADLP C[NH+](CC(=O)NCCc1c(F)cccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000118841927 441905191 /nfs/dbraw/zinc/90/51/91/441905191.db2.gz DFALMILDOQSCDN-AWEZNQCLSA-N 2 2 339.430 1.897 20 0 EDADLP C[NH+](CC(=O)NCCc1c(F)cccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841927 441905196 /nfs/dbraw/zinc/90/51/96/441905196.db2.gz DFALMILDOQSCDN-AWEZNQCLSA-N 2 2 339.430 1.897 20 0 EDADLP CC(C)[NH+]1CCN(c2ccc(C(=O)NCc3[nH+]ccn3C)cc2)CC1 ZINC000078488380 441936546 /nfs/dbraw/zinc/93/65/46/441936546.db2.gz TXLQHNZJSIVWKL-UHFFFAOYSA-N 2 2 341.459 1.881 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174881492 441978172 /nfs/dbraw/zinc/97/81/72/441978172.db2.gz MBBOQGRRPURVAT-WMZOPIPTSA-N 2 2 338.540 1.782 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174881492 441978176 /nfs/dbraw/zinc/97/81/76/441978176.db2.gz MBBOQGRRPURVAT-WMZOPIPTSA-N 2 2 338.540 1.782 20 0 EDADLP CN(CC[NH+](C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000078576904 441947194 /nfs/dbraw/zinc/94/71/94/441947194.db2.gz ZZJALSMVFMSYSH-UHFFFAOYSA-N 2 2 331.420 1.987 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)n12 ZINC000150793847 441951787 /nfs/dbraw/zinc/95/17/87/441951787.db2.gz JYLWXGBDJDANJQ-MRXNPFEDSA-N 2 2 326.444 1.921 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)n12 ZINC000150793847 441951791 /nfs/dbraw/zinc/95/17/91/441951791.db2.gz JYLWXGBDJDANJQ-MRXNPFEDSA-N 2 2 326.444 1.921 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000124806859 441955062 /nfs/dbraw/zinc/95/50/62/441955062.db2.gz HOGMIPNUOYSRSB-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000124806859 441955072 /nfs/dbraw/zinc/95/50/72/441955072.db2.gz HOGMIPNUOYSRSB-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1 ZINC000151049345 441995983 /nfs/dbraw/zinc/99/59/83/441995983.db2.gz LJHPGWAMVJJASI-HIFRSBDPSA-N 2 2 348.472 1.765 20 0 EDADLP CC[C@@H](O)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000120124891 442013211 /nfs/dbraw/zinc/01/32/11/442013211.db2.gz VCUDRSPNAYBXNL-MRXNPFEDSA-N 2 2 340.512 1.397 20 0 EDADLP C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000120561309 442094521 /nfs/dbraw/zinc/09/45/21/442094521.db2.gz ROEUQKOJNDOWLV-JUVOFCAFSA-N 2 2 340.512 1.515 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000079497710 442055372 /nfs/dbraw/zinc/05/53/72/442055372.db2.gz CILYCWZTKNPRLT-HOTGVXAUSA-N 2 2 349.500 1.844 20 0 EDADLP CC(C)Oc1cccnc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000079535219 442059348 /nfs/dbraw/zinc/05/93/48/442059348.db2.gz OIWLTOWCMKWBRL-UHFFFAOYSA-N 2 2 348.491 1.967 20 0 EDADLP CC(C)Oc1cccnc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000079535219 442059351 /nfs/dbraw/zinc/05/93/51/442059351.db2.gz OIWLTOWCMKWBRL-UHFFFAOYSA-N 2 2 348.491 1.967 20 0 EDADLP CC(C)[N@H+](C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000126676630 442133207 /nfs/dbraw/zinc/13/32/07/442133207.db2.gz ARAXKQCGVJYNLE-UHFFFAOYSA-N 2 2 332.448 1.353 20 0 EDADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000126676630 442133208 /nfs/dbraw/zinc/13/32/08/442133208.db2.gz ARAXKQCGVJYNLE-UHFFFAOYSA-N 2 2 332.448 1.353 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126697411 442135919 /nfs/dbraw/zinc/13/59/19/442135919.db2.gz PIXGWKIDTCKYMO-PXNSSMCTSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126697411 442135922 /nfs/dbraw/zinc/13/59/22/442135922.db2.gz PIXGWKIDTCKYMO-PXNSSMCTSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126697411 442135924 /nfs/dbraw/zinc/13/59/24/442135924.db2.gz PIXGWKIDTCKYMO-PXNSSMCTSA-N 3 2 330.520 1.864 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126697411 442135926 /nfs/dbraw/zinc/13/59/26/442135926.db2.gz PIXGWKIDTCKYMO-PXNSSMCTSA-N 3 2 330.520 1.864 20 0 EDADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000163256293 442154137 /nfs/dbraw/zinc/15/41/37/442154137.db2.gz AVQZSQBDXYOHJR-HZPDHXFCSA-N 2 2 325.497 1.772 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000152018485 442154659 /nfs/dbraw/zinc/15/46/59/442154659.db2.gz ZRJBASOTFYZFLN-DBVUQKKJSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000152018485 442154664 /nfs/dbraw/zinc/15/46/64/442154664.db2.gz ZRJBASOTFYZFLN-DBVUQKKJSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000152018485 442154668 /nfs/dbraw/zinc/15/46/68/442154668.db2.gz ZRJBASOTFYZFLN-DBVUQKKJSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000152018485 442154670 /nfs/dbraw/zinc/15/46/70/442154670.db2.gz ZRJBASOTFYZFLN-DBVUQKKJSA-N 2 2 329.488 1.960 20 0 EDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000165690965 442211119 /nfs/dbraw/zinc/21/11/19/442211119.db2.gz UPXGVWZCHIZZBP-SNVBAGLBSA-N 2 2 337.221 1.713 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000167511903 442221619 /nfs/dbraw/zinc/22/16/19/442221619.db2.gz YERAAORILRGLEY-HKUYNNGSSA-N 2 2 345.487 1.878 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000168167779 442223748 /nfs/dbraw/zinc/22/37/48/442223748.db2.gz CYRCBOVQFKABIG-HUUCEWRRSA-N 2 2 337.489 1.722 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000153208595 442268089 /nfs/dbraw/zinc/26/80/89/442268089.db2.gz MZJIYGQFSAIIBV-SJORKVTESA-N 2 2 343.475 1.788 20 0 EDADLP C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000153476551 442284797 /nfs/dbraw/zinc/28/47/97/442284797.db2.gz XGXQJGKJFQBPNO-GOSISDBHSA-N 2 2 329.400 1.916 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000177125215 442300717 /nfs/dbraw/zinc/30/07/17/442300717.db2.gz UPGJFVRKPCPKEZ-QILLFSRXSA-N 2 2 337.508 1.865 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000177125215 442300719 /nfs/dbraw/zinc/30/07/19/442300719.db2.gz UPGJFVRKPCPKEZ-QILLFSRXSA-N 2 2 337.508 1.865 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000154328025 442332763 /nfs/dbraw/zinc/33/27/63/442332763.db2.gz HNVQEAOHCUATEP-WFASDCNBSA-N 2 2 329.466 1.021 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377102 442334111 /nfs/dbraw/zinc/33/41/11/442334111.db2.gz PCUKCYJRZXTMGH-AEFFLSMTSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377102 442334114 /nfs/dbraw/zinc/33/41/14/442334114.db2.gz PCUKCYJRZXTMGH-AEFFLSMTSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377102 442334117 /nfs/dbraw/zinc/33/41/17/442334117.db2.gz PCUKCYJRZXTMGH-AEFFLSMTSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377102 442334120 /nfs/dbraw/zinc/33/41/20/442334120.db2.gz PCUKCYJRZXTMGH-AEFFLSMTSA-N 2 2 338.540 1.639 20 0 EDADLP O=C(C[C@H]1CC[NH2+]C1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000130737049 442354896 /nfs/dbraw/zinc/35/48/96/442354896.db2.gz PQYBSKDKRGYVPZ-QZTJIDSGSA-N 2 2 331.460 1.046 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129469988 442318123 /nfs/dbraw/zinc/31/81/23/442318123.db2.gz GOMXYPDFULVJTF-HZPDHXFCSA-N 2 2 349.479 1.139 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129469988 442318125 /nfs/dbraw/zinc/31/81/25/442318125.db2.gz GOMXYPDFULVJTF-HZPDHXFCSA-N 2 2 349.479 1.139 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000171675086 442368551 /nfs/dbraw/zinc/36/85/51/442368551.db2.gz LAGACATWXASFPD-SJLPKXTDSA-N 2 2 333.476 1.906 20 0 EDADLP COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000131653069 442377325 /nfs/dbraw/zinc/37/73/25/442377325.db2.gz OUJDUGGKVJBIQD-UHFFFAOYSA-N 2 2 343.391 1.008 20 0 EDADLP COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000131653069 442377327 /nfs/dbraw/zinc/37/73/27/442377327.db2.gz OUJDUGGKVJBIQD-UHFFFAOYSA-N 2 2 343.391 1.008 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000155152370 442378648 /nfs/dbraw/zinc/37/86/48/442378648.db2.gz JWVGTWQPTYQUQS-HKUYNNGSSA-N 3 2 347.503 1.970 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)NCc1ccn2cc[nH+]c2c1 ZINC000177931392 442396460 /nfs/dbraw/zinc/39/64/60/442396460.db2.gz AREHEUUMOPWVEQ-UHFFFAOYSA-N 2 2 331.420 1.246 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000177541601 442355490 /nfs/dbraw/zinc/35/54/90/442355490.db2.gz BCEWNWJRGWJOFG-CVEARBPZSA-N 2 2 335.452 1.025 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000130832435 442358148 /nfs/dbraw/zinc/35/81/48/442358148.db2.gz SGQKQTBHESVZQS-KRWDZBQOSA-N 2 2 340.512 1.328 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000130832435 442358150 /nfs/dbraw/zinc/35/81/50/442358150.db2.gz SGQKQTBHESVZQS-KRWDZBQOSA-N 2 2 340.512 1.328 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000178069412 442405912 /nfs/dbraw/zinc/40/59/12/442405912.db2.gz SVXVSNYJMCCKED-GFCCVEGCSA-N 2 2 327.375 1.713 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)o1 ZINC000134155604 442454016 /nfs/dbraw/zinc/45/40/16/442454016.db2.gz NHYUROXVNPJLIM-UHFFFAOYSA-N 2 2 345.403 1.244 20 0 EDADLP C[C@@H]1SCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]1C ZINC000172406080 442455434 /nfs/dbraw/zinc/45/54/34/442455434.db2.gz XZTIKCPLTGREGH-GJZGRUSLSA-N 2 2 337.489 1.750 20 0 EDADLP C[C@@H]1SCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]1C ZINC000172406080 442455436 /nfs/dbraw/zinc/45/54/36/442455436.db2.gz XZTIKCPLTGREGH-GJZGRUSLSA-N 2 2 337.489 1.750 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000134507724 442489075 /nfs/dbraw/zinc/48/90/75/442489075.db2.gz RZDUMHVZBMDMTD-CQSZACIVSA-N 2 2 346.435 1.106 20 0 EDADLP COc1ccccc1C[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179589182 442479141 /nfs/dbraw/zinc/47/91/41/442479141.db2.gz BXXKKMUTYULFES-UHFFFAOYSA-N 2 2 341.459 1.869 20 0 EDADLP COc1ccccc1C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179589182 442479143 /nfs/dbraw/zinc/47/91/43/442479143.db2.gz BXXKKMUTYULFES-UHFFFAOYSA-N 2 2 341.459 1.869 20 0 EDADLP O=C(CN1CCC[N@@H+](C2CC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000172539957 442485315 /nfs/dbraw/zinc/48/53/15/442485315.db2.gz GTMPNKMREUEKHU-UHFFFAOYSA-N 2 2 346.475 1.094 20 0 EDADLP O=C(CN1CCC[N@H+](C2CC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000172539957 442485318 /nfs/dbraw/zinc/48/53/18/442485318.db2.gz GTMPNKMREUEKHU-UHFFFAOYSA-N 2 2 346.475 1.094 20 0 EDADLP COCCCNC(=O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191930226 442542778 /nfs/dbraw/zinc/54/27/78/442542778.db2.gz SZOSFARDVNACJF-UHFFFAOYSA-N 2 2 330.432 1.765 20 0 EDADLP COCCCNC(=O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191930226 442542784 /nfs/dbraw/zinc/54/27/84/442542784.db2.gz SZOSFARDVNACJF-UHFFFAOYSA-N 2 2 330.432 1.765 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000178888081 442515898 /nfs/dbraw/zinc/51/58/98/442515898.db2.gz AZPYCWQQPQXKLN-INIZCTEOSA-N 2 2 331.464 1.644 20 0 EDADLP CCOc1ccccc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172697532 442522921 /nfs/dbraw/zinc/52/29/21/442522921.db2.gz ISQPZXTZWXGOPV-QGZVFWFLSA-N 2 2 347.459 1.108 20 0 EDADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000172697340 442523265 /nfs/dbraw/zinc/52/32/65/442523265.db2.gz UCVDZBZLDBPPHQ-GOSISDBHSA-N 2 2 331.460 1.326 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000178923758 442527011 /nfs/dbraw/zinc/52/70/11/442527011.db2.gz RPALWZINKAWWPC-INIZCTEOSA-N 2 2 332.448 1.279 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1F ZINC000135341365 442582960 /nfs/dbraw/zinc/58/29/60/442582960.db2.gz UATABWNZILJVHH-OAHLLOKOSA-N 2 2 338.427 1.017 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1F ZINC000135341365 442582965 /nfs/dbraw/zinc/58/29/65/442582965.db2.gz UATABWNZILJVHH-OAHLLOKOSA-N 2 2 338.427 1.017 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1F ZINC000135341392 442583133 /nfs/dbraw/zinc/58/31/33/442583133.db2.gz UATABWNZILJVHH-HNNXBMFYSA-N 2 2 338.427 1.017 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1F ZINC000135341392 442583137 /nfs/dbraw/zinc/58/31/37/442583137.db2.gz UATABWNZILJVHH-HNNXBMFYSA-N 2 2 338.427 1.017 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000157477968 442586329 /nfs/dbraw/zinc/58/63/29/442586329.db2.gz YXALANDSHWNZFX-GOEBONIOSA-N 2 2 338.496 1.807 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000157477968 442586336 /nfs/dbraw/zinc/58/63/36/442586336.db2.gz YXALANDSHWNZFX-GOEBONIOSA-N 2 2 338.496 1.807 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000179396514 442641060 /nfs/dbraw/zinc/64/10/60/442641060.db2.gz OIKYYPONWIHFKZ-HNNXBMFYSA-N 2 2 344.459 1.514 20 0 EDADLP C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000192514216 442655821 /nfs/dbraw/zinc/65/58/21/442655821.db2.gz TXOUGLDEGYLTIP-APWZRJJASA-N 2 2 334.460 1.912 20 0 EDADLP CC(C)CO[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000179281744 442612081 /nfs/dbraw/zinc/61/20/81/442612081.db2.gz KXPDCJSFQWFJEI-QGZVFWFLSA-N 2 2 340.512 1.469 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000179313847 442619669 /nfs/dbraw/zinc/61/96/69/442619669.db2.gz XAVNAVOGTACVDK-NVXWUHKLSA-N 2 2 338.496 1.223 20 0 EDADLP COc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000181031806 442676197 /nfs/dbraw/zinc/67/61/97/442676197.db2.gz ZFSJYCUGRUVLQI-NVXWUHKLSA-N 2 2 347.459 1.279 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000181034736 442676928 /nfs/dbraw/zinc/67/69/28/442676928.db2.gz WSXDSVVPKMYLNH-WMLDXEAASA-N 2 2 335.423 1.409 20 0 EDADLP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000193204678 442722297 /nfs/dbraw/zinc/72/22/97/442722297.db2.gz ZZNKSCZSXSJATA-UHFFFAOYSA-N 2 2 331.420 1.782 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)c3c[nH+]ccc3N)CC2)oc1C ZINC000188200044 442723923 /nfs/dbraw/zinc/72/39/23/442723923.db2.gz YHAAJVMIVPEBHZ-UHFFFAOYSA-N 2 2 343.431 1.911 20 0 EDADLP CCC(C)(C)NC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188275997 442732351 /nfs/dbraw/zinc/73/23/51/442732351.db2.gz ATCUMYMZVQGZCI-HXUWFJFHSA-N 2 2 347.503 1.860 20 0 EDADLP CCC(C)(C)NC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188275997 442732353 /nfs/dbraw/zinc/73/23/53/442732353.db2.gz ATCUMYMZVQGZCI-HXUWFJFHSA-N 2 2 347.503 1.860 20 0 EDADLP CCC(C)(C)NC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188275997 442732354 /nfs/dbraw/zinc/73/23/54/442732354.db2.gz ATCUMYMZVQGZCI-HXUWFJFHSA-N 2 2 347.503 1.860 20 0 EDADLP CCC(C)(C)NC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188275997 442732357 /nfs/dbraw/zinc/73/23/57/442732357.db2.gz ATCUMYMZVQGZCI-HXUWFJFHSA-N 2 2 347.503 1.860 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC(=O)NCc1cccs1 ZINC000265500791 442797897 /nfs/dbraw/zinc/79/78/97/442797897.db2.gz OZNLTDBWJVRDGO-UHFFFAOYSA-N 2 2 347.444 1.677 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246617427 442798170 /nfs/dbraw/zinc/79/81/70/442798170.db2.gz MJJSWFVQSQJOSP-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246617427 442798172 /nfs/dbraw/zinc/79/81/72/442798172.db2.gz MJJSWFVQSQJOSP-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182791425 442826361 /nfs/dbraw/zinc/82/63/61/442826361.db2.gz KUCUKCJJOFJTJC-UHFFFAOYSA-N 3 2 349.523 1.689 20 0 EDADLP CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000183011677 442864398 /nfs/dbraw/zinc/86/43/98/442864398.db2.gz COYCCVSZPGBYHQ-KRWDZBQOSA-N 2 2 340.512 1.022 20 0 EDADLP CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183011677 442864401 /nfs/dbraw/zinc/86/44/01/442864401.db2.gz COYCCVSZPGBYHQ-KRWDZBQOSA-N 2 2 340.512 1.022 20 0 EDADLP Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000183102456 442879782 /nfs/dbraw/zinc/87/97/82/442879782.db2.gz IDGSWJHTSBWBBU-UHFFFAOYSA-N 2 2 343.493 1.543 20 0 EDADLP Cc1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000183102456 442879785 /nfs/dbraw/zinc/87/97/85/442879785.db2.gz IDGSWJHTSBWBBU-UHFFFAOYSA-N 2 2 343.493 1.543 20 0 EDADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1([NH+]2CCOCC2)CCCC1 ZINC000189128235 442882473 /nfs/dbraw/zinc/88/24/73/442882473.db2.gz YAJQUFLOUWQOSC-OAHLLOKOSA-N 2 2 334.464 1.502 20 0 EDADLP COc1ccc(F)cc1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000189200543 442896580 /nfs/dbraw/zinc/89/65/80/442896580.db2.gz CJOBHWHYRCTNFS-UHFFFAOYSA-N 2 2 345.422 1.666 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000183514790 442936603 /nfs/dbraw/zinc/93/66/03/442936603.db2.gz LIUPEKOZBQLDLD-UHFFFAOYSA-N 2 2 325.416 1.941 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000249040334 442946151 /nfs/dbraw/zinc/94/61/51/442946151.db2.gz BOEYDPSLKQFNRF-MSOLQXFVSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000249040334 442946154 /nfs/dbraw/zinc/94/61/54/442946154.db2.gz BOEYDPSLKQFNRF-MSOLQXFVSA-N 2 2 345.487 1.748 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183745526 442958608 /nfs/dbraw/zinc/95/86/08/442958608.db2.gz NQVJLVPVIYNFPG-MRXNPFEDSA-N 2 2 340.493 1.600 20 0 EDADLP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183745526 442958609 /nfs/dbraw/zinc/95/86/09/442958609.db2.gz NQVJLVPVIYNFPG-MRXNPFEDSA-N 2 2 340.493 1.600 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000268361448 442961314 /nfs/dbraw/zinc/96/13/14/442961314.db2.gz KIKZPHJWDKUWQL-GUYCJALGSA-N 2 2 329.448 1.936 20 0 EDADLP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H](O)C(F)(F)F ZINC000189467200 442961800 /nfs/dbraw/zinc/96/18/00/442961800.db2.gz NTMHXUCSCOSTCM-CYBMUJFWSA-N 2 2 339.402 1.221 20 0 EDADLP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C[C@@H](O)C(F)(F)F ZINC000189467200 442961802 /nfs/dbraw/zinc/96/18/02/442961802.db2.gz NTMHXUCSCOSTCM-CYBMUJFWSA-N 2 2 339.402 1.221 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000183791355 442964448 /nfs/dbraw/zinc/96/44/48/442964448.db2.gz PPFDKMWATCHKIM-KRWDZBQOSA-N 2 2 342.443 1.655 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000249393530 442971070 /nfs/dbraw/zinc/97/10/70/442971070.db2.gz RGHKWYGYQCPBDH-RDJZCZTQSA-N 2 2 333.476 1.593 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1CC(C)(C)O ZINC000249393530 442971075 /nfs/dbraw/zinc/97/10/75/442971075.db2.gz RGHKWYGYQCPBDH-RDJZCZTQSA-N 2 2 333.476 1.593 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000268498635 443010987 /nfs/dbraw/zinc/01/09/87/443010987.db2.gz UJMBMGMRVVIXRH-UHFFFAOYSA-N 2 2 342.443 1.837 20 0 EDADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000268702100 443082079 /nfs/dbraw/zinc/08/20/79/443082079.db2.gz FZDGTUSBFPPEQB-KBAYOESNSA-N 2 2 333.476 1.905 20 0 EDADLP CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000268702100 443082084 /nfs/dbraw/zinc/08/20/84/443082084.db2.gz FZDGTUSBFPPEQB-KBAYOESNSA-N 2 2 333.476 1.905 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000298946474 318861442 /nfs/dbraw/zinc/86/14/42/318861442.db2.gz KMOKPHGAVIRJML-OAHLLOKOSA-N 2 2 342.447 1.630 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266751191 443228721 /nfs/dbraw/zinc/22/87/21/443228721.db2.gz NYUFENLAQBRDOG-UHFFFAOYSA-N 2 2 331.420 1.454 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)CC[NH+](C)C)nc[nH+]1 ZINC000266762353 443232445 /nfs/dbraw/zinc/23/24/45/443232445.db2.gz PIJRPUZKEGXDLX-KBPBESRZSA-N 2 2 349.483 1.127 20 0 EDADLP CNc1cc(N2CCC[C@H]2CNC(=O)N[C@@H](C)CC[NH+](C)C)[nH+]cn1 ZINC000266762353 443232449 /nfs/dbraw/zinc/23/24/49/443232449.db2.gz PIJRPUZKEGXDLX-KBPBESRZSA-N 2 2 349.483 1.127 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c[nH+]1 ZINC000266678436 443205605 /nfs/dbraw/zinc/20/56/05/443205605.db2.gz QBMBJHMUVFWPCY-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000185480625 443206868 /nfs/dbraw/zinc/20/68/68/443206868.db2.gz AMNOAMKVUAVVQL-QGZVFWFLSA-N 2 2 345.487 1.523 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(=O)OC ZINC000266797296 443245746 /nfs/dbraw/zinc/24/57/46/443245746.db2.gz YJAPWBXABSRYIU-SWLSCSKDSA-N 2 2 336.436 1.293 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC000191149713 443249449 /nfs/dbraw/zinc/24/94/49/443249449.db2.gz WELWTUPTXRVHOK-MRXNPFEDSA-N 2 2 336.480 1.222 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000360059853 319116781 /nfs/dbraw/zinc/11/67/81/319116781.db2.gz QRJNHAGLHMFEJA-DLBZAZTESA-N 2 2 325.497 1.188 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCO1 ZINC000360059853 319116783 /nfs/dbraw/zinc/11/67/83/319116783.db2.gz QRJNHAGLHMFEJA-DLBZAZTESA-N 2 2 325.497 1.188 20 0 EDADLP CC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](O)C(C)C ZINC000413403916 319267343 /nfs/dbraw/zinc/26/73/43/319267343.db2.gz OCNTXEWEUFZBAY-HOTGVXAUSA-N 2 2 328.501 1.107 20 0 EDADLP COC(=O)[C@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)CC[N@H+](C)C1 ZINC000413502045 319271632 /nfs/dbraw/zinc/27/16/32/319271632.db2.gz PTPWMJIDLALXLK-CQSZACIVSA-N 2 2 333.436 1.008 20 0 EDADLP COC(=O)[C@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)CC[N@@H+](C)C1 ZINC000413502045 319271633 /nfs/dbraw/zinc/27/16/33/319271633.db2.gz PTPWMJIDLALXLK-CQSZACIVSA-N 2 2 333.436 1.008 20 0 EDADLP C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000413566966 319278120 /nfs/dbraw/zinc/27/81/20/319278120.db2.gz AWXQPJMGLRLOGK-ZDUSSCGKSA-N 2 2 327.469 1.106 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1 ZINC000414545961 319330397 /nfs/dbraw/zinc/33/03/97/319330397.db2.gz GNXHEZMSISZSEL-CQSZACIVSA-N 2 2 340.464 1.722 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1 ZINC000414545961 319330399 /nfs/dbraw/zinc/33/03/99/319330399.db2.gz GNXHEZMSISZSEL-CQSZACIVSA-N 2 2 340.464 1.722 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)C[C@@H]1[NH3+] ZINC000415837377 319376647 /nfs/dbraw/zinc/37/66/47/319376647.db2.gz KOJBKWBLZXRUDY-MFKMUULPSA-N 2 2 341.415 1.195 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CN1CC[NH+]1CCOCC1 ZINC000269366573 443294783 /nfs/dbraw/zinc/29/47/83/443294783.db2.gz RAVIJBLPGZMACL-QGZVFWFLSA-N 2 2 342.443 1.191 20 0 EDADLP Cc1cc(N2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000191418623 443292381 /nfs/dbraw/zinc/29/23/81/443292381.db2.gz WIBCVJCSMMRIFA-KRWDZBQOSA-N 2 2 347.507 1.751 20 0 EDADLP Cc1cc(N2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000191418623 443292385 /nfs/dbraw/zinc/29/23/85/443292385.db2.gz WIBCVJCSMMRIFA-KRWDZBQOSA-N 2 2 347.507 1.751 20 0 EDADLP C[NH2+]CCCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416884271 319468603 /nfs/dbraw/zinc/46/86/03/319468603.db2.gz KLSVBMOVVRKNKB-KRWDZBQOSA-N 2 2 334.464 1.277 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416886389 319468968 /nfs/dbraw/zinc/46/89/68/319468968.db2.gz NPTQOCHDOJBRRS-AEFFLSMTSA-N 2 2 348.491 1.666 20 0 EDADLP CC(C)([NH3+])CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418415767 319500420 /nfs/dbraw/zinc/50/04/20/319500420.db2.gz OQWGBGUGQVINMU-CQSZACIVSA-N 2 2 347.463 1.582 20 0 EDADLP COc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000278451250 443335853 /nfs/dbraw/zinc/33/58/53/443335853.db2.gz XWWGDUFTGUELLF-UHFFFAOYSA-N 2 2 349.479 1.258 20 0 EDADLP COc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000278451250 443335856 /nfs/dbraw/zinc/33/58/56/443335856.db2.gz XWWGDUFTGUELLF-UHFFFAOYSA-N 2 2 349.479 1.258 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC(=O)N[C@@H]3C)c2cc1C ZINC000282457078 443344929 /nfs/dbraw/zinc/34/49/29/443344929.db2.gz STNYGTWYQYXXBD-RBSFLKMASA-N 2 2 330.432 1.271 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000272533628 443353215 /nfs/dbraw/zinc/35/32/15/443353215.db2.gz RBPCBPHHVKCSAK-UHFFFAOYSA-N 2 2 344.503 1.683 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000272533628 443353217 /nfs/dbraw/zinc/35/32/17/443353217.db2.gz RBPCBPHHVKCSAK-UHFFFAOYSA-N 2 2 344.503 1.683 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)C12CCC[NH+]1CCC2 ZINC000278544171 443360467 /nfs/dbraw/zinc/36/04/67/443360467.db2.gz GGHNTQFMMLLDIV-UHFFFAOYSA-N 2 2 330.432 1.163 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267252361 443393722 /nfs/dbraw/zinc/39/37/22/443393722.db2.gz RZSQQGSVGFELQR-UHFFFAOYSA-N 2 2 342.443 1.546 20 0 EDADLP C[C@H]1C[N@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)CCCO1 ZINC000278664822 443394681 /nfs/dbraw/zinc/39/46/81/443394681.db2.gz IWJRVVCAWAMWTG-DOTOQJQBSA-N 2 2 329.448 1.985 20 0 EDADLP C[C@H]1C[N@@H+](CCCN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)CCCO1 ZINC000278664822 443394687 /nfs/dbraw/zinc/39/46/87/443394687.db2.gz IWJRVVCAWAMWTG-DOTOQJQBSA-N 2 2 329.448 1.985 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C1=CC[N@H+](C)CC1 ZINC000272659452 443399545 /nfs/dbraw/zinc/39/95/45/443399545.db2.gz BQOGYULKAGANPO-HNNXBMFYSA-N 2 2 332.448 1.757 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272659452 443399549 /nfs/dbraw/zinc/39/95/49/443399549.db2.gz BQOGYULKAGANPO-HNNXBMFYSA-N 2 2 332.448 1.757 20 0 EDADLP COc1cc2[nH+]c(N3CC[N@@H+]4CCCC[C@@H]4C3)nc(N)c2cc1OC ZINC000264927633 443480238 /nfs/dbraw/zinc/48/02/38/443480238.db2.gz NVUOOPMVNHPNLY-GFCCVEGCSA-N 2 2 343.431 1.904 20 0 EDADLP COc1cc2[nH+]c(N3CC[N@H+]4CCCC[C@@H]4C3)nc(N)c2cc1OC ZINC000264927633 443480240 /nfs/dbraw/zinc/48/02/40/443480240.db2.gz NVUOOPMVNHPNLY-GFCCVEGCSA-N 2 2 343.431 1.904 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CC2(OCCO)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000282839659 443447421 /nfs/dbraw/zinc/44/74/21/443447421.db2.gz ZWUFIBJMAOXFNA-IEBWSBKVSA-N 2 2 348.487 1.797 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CC2(OCCO)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000282839659 443447426 /nfs/dbraw/zinc/44/74/26/443447426.db2.gz ZWUFIBJMAOXFNA-IEBWSBKVSA-N 2 2 348.487 1.797 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000282880582 443458304 /nfs/dbraw/zinc/45/83/04/443458304.db2.gz WRDGZIFKMMFOSD-UHFFFAOYSA-N 2 2 343.475 1.773 20 0 EDADLP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000282880582 443458305 /nfs/dbraw/zinc/45/83/05/443458305.db2.gz WRDGZIFKMMFOSD-UHFFFAOYSA-N 2 2 343.475 1.773 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)n(C)n1 ZINC000267476540 443471523 /nfs/dbraw/zinc/47/15/23/443471523.db2.gz ZMRSHCQCTDWUII-ZIAGYGMSSA-N 2 2 328.420 1.437 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)C2=O)n(C)n1 ZINC000267476540 443471527 /nfs/dbraw/zinc/47/15/27/443471527.db2.gz ZMRSHCQCTDWUII-ZIAGYGMSSA-N 2 2 328.420 1.437 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279071712 443508623 /nfs/dbraw/zinc/50/86/23/443508623.db2.gz FFHFUCFVOHUYAM-FUHWJXTLSA-N 2 2 333.476 1.859 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000279071712 443508624 /nfs/dbraw/zinc/50/86/24/443508624.db2.gz FFHFUCFVOHUYAM-FUHWJXTLSA-N 2 2 333.476 1.859 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CC3CC[NH+](C)CC3)c[nH+]2)CCO1 ZINC000273181590 443555387 /nfs/dbraw/zinc/55/53/87/443555387.db2.gz HFXQJZUALLYJQP-HNNXBMFYSA-N 2 2 346.475 1.655 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000274253591 443601402 /nfs/dbraw/zinc/60/14/02/443601402.db2.gz ZJRYFAMERHCBMX-PKOBYXMFSA-N 2 2 332.444 1.652 20 0 EDADLP CCN1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433478187 319979297 /nfs/dbraw/zinc/97/92/97/319979297.db2.gz QLUSKVGPEMWBOH-QGZVFWFLSA-N 2 2 341.459 1.990 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)c(OC)co2)[C@@H](C)C1 ZINC000276145569 443653462 /nfs/dbraw/zinc/65/34/62/443653462.db2.gz BDQUGOZGXMSXEI-HOCLYGCPSA-N 2 2 338.448 1.875 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)c(OC)co2)[C@@H](C)C1 ZINC000276145569 443653465 /nfs/dbraw/zinc/65/34/65/443653465.db2.gz BDQUGOZGXMSXEI-HOCLYGCPSA-N 2 2 338.448 1.875 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000446933127 320136087 /nfs/dbraw/zinc/13/60/87/320136087.db2.gz YVHTZUXVLOGVQG-UHFFFAOYSA-N 2 2 325.478 1.338 20 0 EDADLP COc1cc2c(c(C[NH2+]C[C@@H]3CCCC[N@@H+]3CCO)c1)O[C@H](C)C2 ZINC000449392650 320187563 /nfs/dbraw/zinc/18/75/63/320187563.db2.gz KPASMGUQDGNIGK-PBHICJAKSA-N 2 2 334.460 1.955 20 0 EDADLP COc1cc2c(c(C[NH2+]C[C@@H]3CCCC[N@H+]3CCO)c1)O[C@H](C)C2 ZINC000449392650 320187566 /nfs/dbraw/zinc/18/75/66/320187566.db2.gz KPASMGUQDGNIGK-PBHICJAKSA-N 2 2 334.460 1.955 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(OC)c1OC ZINC000449390377 320187702 /nfs/dbraw/zinc/18/77/02/320187702.db2.gz GONDBFQYOGQXHL-OAHLLOKOSA-N 2 2 338.448 1.649 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(OC)c1OC ZINC000449390377 320187703 /nfs/dbraw/zinc/18/77/03/320187703.db2.gz GONDBFQYOGQXHL-OAHLLOKOSA-N 2 2 338.448 1.649 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000449393246 320187810 /nfs/dbraw/zinc/18/78/10/320187810.db2.gz LUZBFPULTPLGBF-LJQANCHMSA-N 2 2 328.460 1.868 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000449393246 320187811 /nfs/dbraw/zinc/18/78/11/320187811.db2.gz LUZBFPULTPLGBF-LJQANCHMSA-N 2 2 328.460 1.868 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000449476224 320192225 /nfs/dbraw/zinc/19/22/25/320192225.db2.gz ZLZWFSALTBVFFS-GUYCJALGSA-N 2 2 337.489 1.509 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000449476224 320192227 /nfs/dbraw/zinc/19/22/27/320192227.db2.gz ZLZWFSALTBVFFS-GUYCJALGSA-N 2 2 337.489 1.509 20 0 EDADLP COc1ccc(/C=C\C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000492082362 320375152 /nfs/dbraw/zinc/37/51/52/320375152.db2.gz HDPCAHJEKXTMLD-TWGQIWQCSA-N 2 2 331.460 1.851 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000492740291 320384204 /nfs/dbraw/zinc/38/42/04/320384204.db2.gz JRLPPZWJAMURAP-BEWKBBBFSA-N 2 2 334.489 1.954 20 0 EDADLP CO[C@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000283687653 443690014 /nfs/dbraw/zinc/69/00/14/443690014.db2.gz WUKVWIBLZJEWAM-MRXNPFEDSA-N 2 2 339.867 1.733 20 0 EDADLP O=C(OCc1ccccc1)N1CCC([NH2+]C[C@H]2C[NH2+]CCO2)CC1 ZINC000497058044 320416712 /nfs/dbraw/zinc/41/67/12/320416712.db2.gz XFMXVKONDJWULC-QGZVFWFLSA-N 2 2 333.432 1.366 20 0 EDADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000514855832 320430770 /nfs/dbraw/zinc/43/07/70/320430770.db2.gz CUFLTUFDZCTOMM-HNNXBMFYSA-N 2 2 339.395 1.179 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000516573043 320438938 /nfs/dbraw/zinc/43/89/38/320438938.db2.gz RAYIKHDEJNSKOQ-KRWDZBQOSA-N 2 2 347.507 1.459 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276518802 443732228 /nfs/dbraw/zinc/73/22/28/443732228.db2.gz CEDBZOKEJLVBOF-KXPUMZMLSA-N 2 2 339.443 1.750 20 0 EDADLP CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000281216152 443850648 /nfs/dbraw/zinc/85/06/48/443850648.db2.gz KALRSHAAJHAPAV-CQSZACIVSA-N 2 2 335.452 1.002 20 0 EDADLP CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000281216152 443850655 /nfs/dbraw/zinc/85/06/55/443850655.db2.gz KALRSHAAJHAPAV-CQSZACIVSA-N 2 2 335.452 1.002 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](Cc2cccnc2)CC1 ZINC000298772466 443864140 /nfs/dbraw/zinc/86/41/40/443864140.db2.gz XNLLWJFDAXJSNC-ZWKOTPCHSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](Cc2cccnc2)CC1 ZINC000298772466 443864142 /nfs/dbraw/zinc/86/41/42/443864142.db2.gz XNLLWJFDAXJSNC-ZWKOTPCHSA-N 2 2 343.475 1.536 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)CCC[N@@H+]1C ZINC000285310414 443937146 /nfs/dbraw/zinc/93/71/46/443937146.db2.gz KCXMVOWPDVQZCM-KUBVHJBSSA-N 2 2 328.420 1.356 20 0 EDADLP Cn1nccc1[C@H]1[C@H](CNC(=O)C=Cc2c[nH]c[nH+]2)CCC[N@H+]1C ZINC000285310414 443937151 /nfs/dbraw/zinc/93/71/51/443937151.db2.gz KCXMVOWPDVQZCM-KUBVHJBSSA-N 2 2 328.420 1.356 20 0 EDADLP Cn1ccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccc(F)cc2)n1 ZINC000540498871 320760543 /nfs/dbraw/zinc/76/05/43/320760543.db2.gz PWXADNKHULBISV-KRWDZBQOSA-N 2 2 332.423 1.695 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000293112871 443927950 /nfs/dbraw/zinc/92/79/50/443927950.db2.gz YPIUJEUIGQNMSJ-KRWDZBQOSA-N 2 2 337.489 1.383 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000293112871 443927954 /nfs/dbraw/zinc/92/79/54/443927954.db2.gz YPIUJEUIGQNMSJ-KRWDZBQOSA-N 2 2 337.489 1.383 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000293112871 443927959 /nfs/dbraw/zinc/92/79/59/443927959.db2.gz YPIUJEUIGQNMSJ-KRWDZBQOSA-N 2 2 337.489 1.383 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CCNS(=O)(=O)c3ccccc3)C2)C1 ZINC000293112871 443927962 /nfs/dbraw/zinc/92/79/62/443927962.db2.gz YPIUJEUIGQNMSJ-KRWDZBQOSA-N 2 2 337.489 1.383 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](C)[S@](=O)CC3)c2cc1C ZINC000277198067 443934163 /nfs/dbraw/zinc/93/41/63/443934163.db2.gz MJHQQPRNUAIKHM-DQIAKBPPSA-N 2 2 349.500 1.857 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](C)[S@](=O)CC3)c2cc1C ZINC000277198067 443934167 /nfs/dbraw/zinc/93/41/67/443934167.db2.gz MJHQQPRNUAIKHM-DQIAKBPPSA-N 2 2 349.500 1.857 20 0 EDADLP C[N@H+](CCNS(=O)(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285384100 443963517 /nfs/dbraw/zinc/96/35/17/443963517.db2.gz CZYYRXUJKBCZCK-XYPWUTKMSA-N 2 2 337.489 1.522 20 0 EDADLP C[N@@H+](CCNS(=O)(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285384100 443963521 /nfs/dbraw/zinc/96/35/21/443963521.db2.gz CZYYRXUJKBCZCK-XYPWUTKMSA-N 2 2 337.489 1.522 20 0 EDADLP C[NH+](CCNS(=O)(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285384100 443963523 /nfs/dbraw/zinc/96/35/23/443963523.db2.gz CZYYRXUJKBCZCK-XYPWUTKMSA-N 2 2 337.489 1.522 20 0 EDADLP C[NH+](CCNS(=O)(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285384100 443963525 /nfs/dbraw/zinc/96/35/25/443963525.db2.gz CZYYRXUJKBCZCK-XYPWUTKMSA-N 2 2 337.489 1.522 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000299173637 443974817 /nfs/dbraw/zinc/97/48/17/443974817.db2.gz ZDRUXBRKUARUTI-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000299173637 443974819 /nfs/dbraw/zinc/97/48/19/443974819.db2.gz ZDRUXBRKUARUTI-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(CO)c1 ZINC000285542667 444022654 /nfs/dbraw/zinc/02/26/54/444022654.db2.gz DKQLYGCHYCJHSW-AQXGTKIOSA-N 2 2 345.487 1.913 20 0 EDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(CO)c1 ZINC000285542667 444022658 /nfs/dbraw/zinc/02/26/58/444022658.db2.gz DKQLYGCHYCJHSW-AQXGTKIOSA-N 2 2 345.487 1.913 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000299512659 444067098 /nfs/dbraw/zinc/06/70/98/444067098.db2.gz NNAVRLHSPJVVEY-HNNXBMFYSA-N 2 2 345.447 1.948 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285658632 444063125 /nfs/dbraw/zinc/06/31/25/444063125.db2.gz GJDNDZMCKRMAFX-IRXDYDNUSA-N 2 2 328.416 1.276 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285658632 444063130 /nfs/dbraw/zinc/06/31/30/444063130.db2.gz GJDNDZMCKRMAFX-IRXDYDNUSA-N 2 2 328.416 1.276 20 0 EDADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2nc[nH]n2)CC1 ZINC000557117162 321000166 /nfs/dbraw/zinc/00/01/66/321000166.db2.gz BBNRKSFOYVZVHU-UHFFFAOYSA-N 2 2 334.855 1.542 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH]1 ZINC000293749523 444087844 /nfs/dbraw/zinc/08/78/44/444087844.db2.gz WSTJZQRLOCKYMA-QGZVFWFLSA-N 2 2 343.427 1.310 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH]1 ZINC000293749523 444087850 /nfs/dbraw/zinc/08/78/50/444087850.db2.gz WSTJZQRLOCKYMA-QGZVFWFLSA-N 2 2 343.427 1.310 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000562664459 321067284 /nfs/dbraw/zinc/06/72/84/321067284.db2.gz DKOWAJAQSPNKNZ-IAGOWNOFSA-N 2 2 327.432 1.707 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000562664459 321067286 /nfs/dbraw/zinc/06/72/86/321067286.db2.gz DKOWAJAQSPNKNZ-IAGOWNOFSA-N 2 2 327.432 1.707 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000564600343 321137545 /nfs/dbraw/zinc/13/75/45/321137545.db2.gz UIJZIJAOZBZWDP-AWEZNQCLSA-N 2 2 327.432 1.699 20 0 EDADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000564852941 321151403 /nfs/dbraw/zinc/15/14/03/321151403.db2.gz VIADDFYMSOMIFF-NNFUDEMPSA-N 2 2 336.476 1.773 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000566089384 321214250 /nfs/dbraw/zinc/21/42/50/321214250.db2.gz MDPLJKGJXFGIMF-RLLQIKCJSA-N 3 2 346.519 1.332 20 0 EDADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566111569 321216408 /nfs/dbraw/zinc/21/64/08/321216408.db2.gz DFUWMKGPMIWMBQ-OGWHTMIXSA-N 2 2 336.476 1.304 20 0 EDADLP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566111569 321216409 /nfs/dbraw/zinc/21/64/09/321216409.db2.gz DFUWMKGPMIWMBQ-OGWHTMIXSA-N 2 2 336.476 1.304 20 0 EDADLP COC(=O)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000566836060 321235080 /nfs/dbraw/zinc/23/50/80/321235080.db2.gz HHHBTXPMWQXMBL-QAPCUYQASA-N 2 2 346.475 1.326 20 0 EDADLP COC(=O)c1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000566836060 321235081 /nfs/dbraw/zinc/23/50/81/321235081.db2.gz HHHBTXPMWQXMBL-QAPCUYQASA-N 2 2 346.475 1.326 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)ccn12 ZINC000568183847 321278642 /nfs/dbraw/zinc/27/86/42/321278642.db2.gz CJPHETBALRBQAK-HUUCEWRRSA-N 2 2 330.432 1.872 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)c2ccccc2C1 ZINC000568357172 321287376 /nfs/dbraw/zinc/28/73/76/321287376.db2.gz DXLZBYMJWBMCEO-UYAOXDASSA-N 2 2 345.487 1.916 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)c2ccccc2C1 ZINC000568357172 321287378 /nfs/dbraw/zinc/28/73/78/321287378.db2.gz DXLZBYMJWBMCEO-UYAOXDASSA-N 2 2 345.487 1.916 20 0 EDADLP COc1cc2c(cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)O[C@H](C)C2 ZINC000568473405 321292640 /nfs/dbraw/zinc/29/26/40/321292640.db2.gz DEICENUPCKGCES-PBHICJAKSA-N 2 2 334.460 1.955 20 0 EDADLP CC(=O)Nc1ccc(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000568741503 321304170 /nfs/dbraw/zinc/30/41/70/321304170.db2.gz VYKBBAXGSGMXTK-DOXZYTNZSA-N 2 2 349.475 1.247 20 0 EDADLP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000570552496 321347370 /nfs/dbraw/zinc/34/73/70/321347370.db2.gz PLMDWRFCXLAWGP-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP Cc1noc(C)c1[C@H](C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570921329 321362939 /nfs/dbraw/zinc/36/29/39/321362939.db2.gz WWMJEYCQLAZVIG-NFFDBFGFSA-N 2 2 325.453 1.455 20 0 EDADLP Cc1noc(C)c1[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570921329 321362940 /nfs/dbraw/zinc/36/29/40/321362940.db2.gz WWMJEYCQLAZVIG-NFFDBFGFSA-N 2 2 325.453 1.455 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000572348738 321427109 /nfs/dbraw/zinc/42/71/09/321427109.db2.gz AQWYBBJAOWNVAZ-NVGCLXPQSA-N 2 2 339.867 1.941 20 0 EDADLP CCc1cc(N2CCC[C@H]([NH2+][C@H](C)C[C@H]3COCC[NH2+]3)C2)ncn1 ZINC000572392099 321429122 /nfs/dbraw/zinc/42/91/22/321429122.db2.gz KYKSGUDXJFYPPD-PVAVHDDUSA-N 2 2 333.480 1.364 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000294684889 444136462 /nfs/dbraw/zinc/13/64/62/444136462.db2.gz AESKTJDBOSYUBW-HLLBOEOZSA-N 2 2 333.476 1.999 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000294684889 444136463 /nfs/dbraw/zinc/13/64/63/444136463.db2.gz AESKTJDBOSYUBW-HLLBOEOZSA-N 2 2 333.476 1.999 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000572705477 321435498 /nfs/dbraw/zinc/43/54/98/321435498.db2.gz KRLGXIJIHPEXQC-NVXWUHKLSA-N 2 2 325.416 1.766 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)C1CC1 ZINC000289468100 444151186 /nfs/dbraw/zinc/15/11/86/444151186.db2.gz WQSJLIPEGMNTSA-OALUTQOASA-N 2 2 341.455 1.634 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1)C1CC1 ZINC000289468100 444151189 /nfs/dbraw/zinc/15/11/89/444151189.db2.gz WQSJLIPEGMNTSA-OALUTQOASA-N 2 2 341.455 1.634 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)nc[nH+]1 ZINC000301341449 444165318 /nfs/dbraw/zinc/16/53/18/444165318.db2.gz IFQRRYQQEIIIFG-QAETUUGQSA-N 2 2 343.475 1.358 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)nc[nH+]1 ZINC000301341449 444165322 /nfs/dbraw/zinc/16/53/22/444165322.db2.gz IFQRRYQQEIIIFG-QAETUUGQSA-N 2 2 343.475 1.358 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)[nH+]cn1 ZINC000301341449 444165324 /nfs/dbraw/zinc/16/53/24/444165324.db2.gz IFQRRYQQEIIIFG-QAETUUGQSA-N 2 2 343.475 1.358 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)[nH+]cn1 ZINC000301341449 444165327 /nfs/dbraw/zinc/16/53/27/444165327.db2.gz IFQRRYQQEIIIFG-QAETUUGQSA-N 2 2 343.475 1.358 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000574516767 321487693 /nfs/dbraw/zinc/48/76/93/321487693.db2.gz FBLGWSSJAKAHJW-CQSZACIVSA-N 2 2 330.432 1.708 20 0 EDADLP C[C@H](CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)n1cc[nH+]c1 ZINC000574761243 321499559 /nfs/dbraw/zinc/49/95/59/321499559.db2.gz CPCCJJDQXURPIZ-GDBMZVCRSA-N 2 2 338.477 1.158 20 0 EDADLP C[C@@H]1CN(c2ccc(CNc3cc[nH+]cc3C(N)=O)c[nH+]2)C[C@@H](C)O1 ZINC000302244089 444210781 /nfs/dbraw/zinc/21/07/81/444210781.db2.gz ZGCOQJXAPOYFQW-CHWSQXEVSA-N 2 2 341.415 1.801 20 0 EDADLP Cc1cccc2c(N(C)C[C@H](O)CN3CC[NH+](C)CC3)cc[nH+]c12 ZINC000302661086 444218453 /nfs/dbraw/zinc/21/84/53/444218453.db2.gz LRAPZNDQCVFYTI-INIZCTEOSA-N 2 2 328.460 1.588 20 0 EDADLP C[C@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C[NH+]1CCCC1 ZINC000302702783 444220392 /nfs/dbraw/zinc/22/03/92/444220392.db2.gz XRSRDFQKAIYDRL-CVEARBPZSA-N 2 2 333.480 1.829 20 0 EDADLP C[C@H](CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C[NH+]1CCCC1 ZINC000302702783 444220395 /nfs/dbraw/zinc/22/03/95/444220395.db2.gz XRSRDFQKAIYDRL-CVEARBPZSA-N 2 2 333.480 1.829 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CCC2 ZINC000289701866 444192642 /nfs/dbraw/zinc/19/26/42/444192642.db2.gz KLIOUCKNEKPLKG-KZNAEPCWSA-N 2 2 349.500 1.928 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CCC2 ZINC000289701866 444192643 /nfs/dbraw/zinc/19/26/43/444192643.db2.gz KLIOUCKNEKPLKG-KZNAEPCWSA-N 2 2 349.500 1.928 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)C[N@@H+]1Cc1ccccc1 ZINC000289801150 444205188 /nfs/dbraw/zinc/20/51/88/444205188.db2.gz KZAWVMLJCOCAFA-DOTOQJQBSA-N 2 2 329.448 1.413 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)C[N@H+]1Cc1ccccc1 ZINC000289801150 444205190 /nfs/dbraw/zinc/20/51/90/444205190.db2.gz KZAWVMLJCOCAFA-DOTOQJQBSA-N 2 2 329.448 1.413 20 0 EDADLP Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)cn2cc[nH+]c12 ZINC000296846500 444258893 /nfs/dbraw/zinc/25/88/93/444258893.db2.gz KEHLDMJWOAVLFW-GOEBONIOSA-N 2 2 343.431 1.970 20 0 EDADLP NC(=O)c1csc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000305141470 444260622 /nfs/dbraw/zinc/26/06/22/444260622.db2.gz WGTVTQOWCNUQEL-INIZCTEOSA-N 2 2 345.468 1.356 20 0 EDADLP NC(=O)c1csc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000305141470 444260624 /nfs/dbraw/zinc/26/06/24/444260624.db2.gz WGTVTQOWCNUQEL-INIZCTEOSA-N 2 2 345.468 1.356 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000304294908 444245623 /nfs/dbraw/zinc/24/56/23/444245623.db2.gz FFTFCCVNCARGRZ-FCGDIQPGSA-N 2 2 339.524 1.264 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000304294908 444245624 /nfs/dbraw/zinc/24/56/24/444245624.db2.gz FFTFCCVNCARGRZ-FCGDIQPGSA-N 2 2 339.524 1.264 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000290738405 444316958 /nfs/dbraw/zinc/31/69/58/444316958.db2.gz ZHNISPKXULBWGL-QGZVFWFLSA-N 2 2 347.507 1.440 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000290738405 444316959 /nfs/dbraw/zinc/31/69/59/444316959.db2.gz ZHNISPKXULBWGL-QGZVFWFLSA-N 2 2 347.507 1.440 20 0 EDADLP C[C@@H]([NH2+]Cc1cc(C(N)=O)no1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290395350 444275764 /nfs/dbraw/zinc/27/57/64/444275764.db2.gz OWULVZALMRBOFA-UKRRQHHQSA-N 2 2 328.416 1.774 20 0 EDADLP C[C@@H]([NH2+]Cc1cc(C(N)=O)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290395350 444275765 /nfs/dbraw/zinc/27/57/65/444275765.db2.gz OWULVZALMRBOFA-UKRRQHHQSA-N 2 2 328.416 1.774 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000578272785 321748886 /nfs/dbraw/zinc/74/88/86/321748886.db2.gz SARGKYGTGFTNFS-HIFRSBDPSA-N 2 2 341.415 1.358 20 0 EDADLP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000328641257 444409904 /nfs/dbraw/zinc/40/99/04/444409904.db2.gz FLRBLVPGFBJUBM-HZPDHXFCSA-N 2 2 327.388 1.074 20 0 EDADLP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000328641257 444409907 /nfs/dbraw/zinc/40/99/07/444409907.db2.gz FLRBLVPGFBJUBM-HZPDHXFCSA-N 2 2 327.388 1.074 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)o1 ZINC000327735370 444384410 /nfs/dbraw/zinc/38/44/10/444384410.db2.gz HRJZDAKDDKAMFT-AWEZNQCLSA-N 2 2 348.403 1.359 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)o1 ZINC000327735370 444384413 /nfs/dbraw/zinc/38/44/13/444384413.db2.gz HRJZDAKDDKAMFT-AWEZNQCLSA-N 2 2 348.403 1.359 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000579452254 321936014 /nfs/dbraw/zinc/93/60/14/321936014.db2.gz JTECMDVFPHLOQQ-OAHLLOKOSA-N 2 2 333.411 1.947 20 0 EDADLP C[NH+]1CCC(CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000579810046 321972433 /nfs/dbraw/zinc/97/24/33/321972433.db2.gz ZNSMTRUKERHODM-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000340702831 444483594 /nfs/dbraw/zinc/48/35/94/444483594.db2.gz WZCVUKCQEATLIP-QGZVFWFLSA-N 2 2 340.489 1.790 20 0 EDADLP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000340702831 444483596 /nfs/dbraw/zinc/48/35/96/444483596.db2.gz WZCVUKCQEATLIP-QGZVFWFLSA-N 2 2 340.489 1.790 20 0 EDADLP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340712525 444485663 /nfs/dbraw/zinc/48/56/63/444485663.db2.gz LINXZXYMJPDYIA-MRXNPFEDSA-N 2 2 341.459 1.762 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000338037055 444494827 /nfs/dbraw/zinc/49/48/27/444494827.db2.gz AXZXOZXLRMJJKM-QGZVFWFLSA-N 2 2 328.416 1.463 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000580053516 322002445 /nfs/dbraw/zinc/00/24/45/322002445.db2.gz LMMHINBUIYFGPN-INIZCTEOSA-N 2 2 343.475 1.780 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000580071672 322005868 /nfs/dbraw/zinc/00/58/68/322005868.db2.gz FJQDUTALRVOJKI-RBSFLKMASA-N 2 2 341.377 1.910 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CCC[C@@H]2C[NH3+])([NH+]2CCCCC2)CC1 ZINC000580763705 322092042 /nfs/dbraw/zinc/09/20/42/322092042.db2.gz OYZVNWZEKDUHCJ-MRXNPFEDSA-N 3 2 337.512 1.069 20 0 EDADLP COC(=O)c1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000580813458 322097790 /nfs/dbraw/zinc/09/77/90/322097790.db2.gz ZECDALTXYBWOND-BHYGNILZSA-N 2 2 333.432 1.552 20 0 EDADLP COC(=O)c1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000580813458 322097791 /nfs/dbraw/zinc/09/77/91/322097791.db2.gz ZECDALTXYBWOND-BHYGNILZSA-N 2 2 333.432 1.552 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000580965092 322119253 /nfs/dbraw/zinc/11/92/53/322119253.db2.gz HSWHFHQKOLYBLG-INIZCTEOSA-N 2 2 346.475 1.376 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000580965092 322119254 /nfs/dbraw/zinc/11/92/54/322119254.db2.gz HSWHFHQKOLYBLG-INIZCTEOSA-N 2 2 346.475 1.376 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC[C@H](O)C[NH+]3CCOCC3)ccc21 ZINC000581067971 322131632 /nfs/dbraw/zinc/13/16/32/322131632.db2.gz STYUVMGFLRGUPL-INIZCTEOSA-N 2 2 330.432 1.406 20 0 EDADLP C[C@@H](CNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000581246213 322154256 /nfs/dbraw/zinc/15/42/56/322154256.db2.gz LZNDDZBEGPIOJM-JRBPQWBISA-N 2 2 349.519 1.567 20 0 EDADLP C[C@@H](CNC[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000581246213 322154259 /nfs/dbraw/zinc/15/42/59/322154259.db2.gz LZNDDZBEGPIOJM-JRBPQWBISA-N 2 2 349.519 1.567 20 0 EDADLP COc1cncc(/C=C/CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000581366937 322169273 /nfs/dbraw/zinc/16/92/73/322169273.db2.gz BWLAKNQYZIBRMZ-GQCTYLIASA-N 2 2 332.448 1.199 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OCC(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000581774831 322219109 /nfs/dbraw/zinc/21/91/09/322219109.db2.gz UOZLEBCSOIKUJC-LBPRGKRZSA-N 2 2 328.363 1.437 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OCC(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000581774831 322219110 /nfs/dbraw/zinc/21/91/10/322219110.db2.gz UOZLEBCSOIKUJC-LBPRGKRZSA-N 2 2 328.363 1.437 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000581874327 322226249 /nfs/dbraw/zinc/22/62/49/322226249.db2.gz HNNVNYSZJLLANQ-QGZVFWFLSA-N 2 2 331.464 1.426 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](C(C)(C)C)[C@H](O)C3)cn2)CC1 ZINC000332382683 444512586 /nfs/dbraw/zinc/51/25/86/444512586.db2.gz HOYKSOCINSEKOP-DLBZAZTESA-N 2 2 347.507 1.457 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](C(C)(C)C)[C@H](O)C3)cn2)CC1 ZINC000332382683 444512588 /nfs/dbraw/zinc/51/25/88/444512588.db2.gz HOYKSOCINSEKOP-DLBZAZTESA-N 2 2 347.507 1.457 20 0 EDADLP O=S1(=O)CCC[C@H](C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000342124278 444521617 /nfs/dbraw/zinc/52/16/17/444521617.db2.gz IVDMCEKDHQROKZ-GUDVDZBRSA-N 2 2 348.512 1.875 20 0 EDADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000342142466 444530588 /nfs/dbraw/zinc/53/05/88/444530588.db2.gz QELIGFNQYLBXQA-MRXNPFEDSA-N 3 2 344.503 1.627 20 0 EDADLP CCCCN(CC)C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343703880 444531081 /nfs/dbraw/zinc/53/10/81/444531081.db2.gz DAYJVFOMZLGLFD-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP CCCCN(CC)C(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343703880 444531085 /nfs/dbraw/zinc/53/10/85/444531085.db2.gz DAYJVFOMZLGLFD-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000332851136 444572866 /nfs/dbraw/zinc/57/28/66/444572866.db2.gz WFDDDCDTTKTBJJ-OWCLPIDISA-N 2 2 331.464 1.886 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000332851136 444572870 /nfs/dbraw/zinc/57/28/70/444572870.db2.gz WFDDDCDTTKTBJJ-OWCLPIDISA-N 2 2 331.464 1.886 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000332783079 444551303 /nfs/dbraw/zinc/55/13/03/444551303.db2.gz YFMZSYYMDLALRZ-JYJNAYRXSA-N 2 2 331.464 1.784 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1C ZINC000332783079 444551305 /nfs/dbraw/zinc/55/13/05/444551305.db2.gz YFMZSYYMDLALRZ-JYJNAYRXSA-N 2 2 331.464 1.784 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000333002460 444627002 /nfs/dbraw/zinc/62/70/02/444627002.db2.gz NPIFNSLDZBNKTN-JKSUJKDBSA-N 2 2 331.464 1.858 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@H](C)C2)CC1 ZINC000338252137 444589921 /nfs/dbraw/zinc/58/99/21/444589921.db2.gz GKURDKLFZASGNO-QZTJIDSGSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@H](C)C2)CC1 ZINC000338252137 444589924 /nfs/dbraw/zinc/58/99/24/444589924.db2.gz GKURDKLFZASGNO-QZTJIDSGSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC[N@@H+]1C ZINC000343797673 444598666 /nfs/dbraw/zinc/59/86/66/444598666.db2.gz LXTDXZRCVVESGP-GDBMZVCRSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@@H]1[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC[N@H+]1C ZINC000343797673 444598670 /nfs/dbraw/zinc/59/86/70/444598670.db2.gz LXTDXZRCVVESGP-GDBMZVCRSA-N 2 2 331.464 1.832 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000340961896 444599970 /nfs/dbraw/zinc/59/99/70/444599970.db2.gz LHHUIZFUJLOAMH-CQSZACIVSA-N 2 2 330.432 1.436 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000340961896 444599974 /nfs/dbraw/zinc/59/99/74/444599974.db2.gz LHHUIZFUJLOAMH-CQSZACIVSA-N 2 2 330.432 1.436 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332956021 444610205 /nfs/dbraw/zinc/61/02/05/444610205.db2.gz KSXJLSBQSFYKED-JKSUJKDBSA-N 2 2 348.495 1.672 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332956021 444610208 /nfs/dbraw/zinc/61/02/08/444610208.db2.gz KSXJLSBQSFYKED-JKSUJKDBSA-N 2 2 348.495 1.672 20 0 EDADLP CC[C@H](C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000338293186 444614622 /nfs/dbraw/zinc/61/46/22/444614622.db2.gz XEFNJCTVQDUIHH-GOEBONIOSA-N 2 2 341.496 1.497 20 0 EDADLP CCc1nnc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C ZINC000341049419 444652599 /nfs/dbraw/zinc/65/25/99/444652599.db2.gz PFHXPPSJQIXUNF-UHFFFAOYSA-N 2 2 334.512 1.368 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)NCc2ccc(N)[nH+]c2)c1 ZINC000338398330 444673240 /nfs/dbraw/zinc/67/32/40/444673240.db2.gz JUPMNAATSWQHKM-UHFFFAOYSA-N 2 2 329.404 1.926 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CC(C)(C)O ZINC000333120368 444640385 /nfs/dbraw/zinc/64/03/85/444640385.db2.gz ZSKNIRZDEGWSPC-LSDHHAIUSA-N 2 2 349.479 1.247 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC[N@H+]1CC(C)(C)O ZINC000333120368 444640386 /nfs/dbraw/zinc/64/03/86/444640386.db2.gz ZSKNIRZDEGWSPC-LSDHHAIUSA-N 2 2 349.479 1.247 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000343887486 444647085 /nfs/dbraw/zinc/64/70/85/444647085.db2.gz CLOATFWBFVIPHK-WMZOPIPTSA-N 2 2 330.476 1.265 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000343887486 444647087 /nfs/dbraw/zinc/64/70/87/444647087.db2.gz CLOATFWBFVIPHK-WMZOPIPTSA-N 2 2 330.476 1.265 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C[C@@H]21 ZINC000333647788 444687734 /nfs/dbraw/zinc/68/77/34/444687734.db2.gz UFOSTQSKEWRADM-KFWWJZLASA-N 2 2 345.491 1.841 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C[C@@H]21 ZINC000333647788 444687738 /nfs/dbraw/zinc/68/77/38/444687738.db2.gz UFOSTQSKEWRADM-KFWWJZLASA-N 2 2 345.491 1.841 20 0 EDADLP COCCCn1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000338434395 444693389 /nfs/dbraw/zinc/69/33/89/444693389.db2.gz AZLNMIBIEYHRQI-MSOLQXFVSA-N 2 2 336.480 1.387 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nc(CC)cc(=O)[nH]1 ZINC000344123824 444794153 /nfs/dbraw/zinc/79/41/53/444794153.db2.gz GVUGZZHVQJTRTD-UHFFFAOYSA-N 2 2 335.496 1.594 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nc(CC)cc(=O)[nH]1 ZINC000344123824 444794156 /nfs/dbraw/zinc/79/41/56/444794156.db2.gz GVUGZZHVQJTRTD-UHFFFAOYSA-N 2 2 335.496 1.594 20 0 EDADLP COc1cccc(S(=O)(=O)CC[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000336874719 444820214 /nfs/dbraw/zinc/82/02/14/444820214.db2.gz XVBIOUUIUHJSJG-UHFFFAOYSA-N 2 2 340.489 1.743 20 0 EDADLP COC(=O)COc1ccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000341348156 444788764 /nfs/dbraw/zinc/78/87/64/444788764.db2.gz WNKVQSOYHHKGGG-HNNXBMFYSA-N 2 2 336.432 1.439 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1nc(COC)no1 ZINC000344118616 444791025 /nfs/dbraw/zinc/79/10/25/444791025.db2.gz BVRKRPIMTFEPAD-HNNXBMFYSA-N 2 2 339.484 1.627 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1nc(COC)no1 ZINC000344118616 444791028 /nfs/dbraw/zinc/79/10/28/444791028.db2.gz BVRKRPIMTFEPAD-HNNXBMFYSA-N 2 2 339.484 1.627 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342702802 444824508 /nfs/dbraw/zinc/82/45/08/444824508.db2.gz ZQCZSPGJMBXPNW-MRXNPFEDSA-N 2 2 345.487 1.679 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342702802 444824513 /nfs/dbraw/zinc/82/45/13/444824513.db2.gz ZQCZSPGJMBXPNW-MRXNPFEDSA-N 2 2 345.487 1.679 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)C2=O)n1 ZINC000336894913 444838917 /nfs/dbraw/zinc/83/89/17/444838917.db2.gz XYICCPKXFKMLGZ-IAGOWNOFSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)C2=O)n1 ZINC000336894913 444838921 /nfs/dbraw/zinc/83/89/21/444838921.db2.gz XYICCPKXFKMLGZ-IAGOWNOFSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)C2=O)n1 ZINC000336894913 444838926 /nfs/dbraw/zinc/83/89/26/444838926.db2.gz XYICCPKXFKMLGZ-IAGOWNOFSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)C2=O)n1 ZINC000336894913 444838930 /nfs/dbraw/zinc/83/89/30/444838930.db2.gz XYICCPKXFKMLGZ-IAGOWNOFSA-N 2 2 345.491 1.579 20 0 EDADLP CN(C)c1nc(N2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000342748487 444847044 /nfs/dbraw/zinc/84/70/44/444847044.db2.gz JHXJMNPUYXBNOJ-UHFFFAOYSA-N 2 2 349.479 1.787 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000342762560 444852533 /nfs/dbraw/zinc/85/25/33/444852533.db2.gz YMRIHFAQOIQUOL-OLZOCXBDSA-N 2 2 326.391 1.854 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342766589 444855867 /nfs/dbraw/zinc/85/58/67/444855867.db2.gz WLGQEBYCSGYQGB-CQSZACIVSA-N 2 2 342.390 1.180 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCNC(=O)c2ccccc2)CC1 ZINC000342779753 444864240 /nfs/dbraw/zinc/86/42/40/444864240.db2.gz KNSYWTJYNDQQCO-UHFFFAOYSA-N 2 2 347.459 1.424 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)C2)C1 ZINC000330200877 444886063 /nfs/dbraw/zinc/88/60/63/444886063.db2.gz XBQAGNKTYIOAPB-QAPCUYQASA-N 2 2 331.464 1.217 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(c3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)C2)C1 ZINC000330200877 444886067 /nfs/dbraw/zinc/88/60/67/444886067.db2.gz XBQAGNKTYIOAPB-QAPCUYQASA-N 2 2 331.464 1.217 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)C2)C1 ZINC000330200877 444886073 /nfs/dbraw/zinc/88/60/73/444886073.db2.gz XBQAGNKTYIOAPB-QAPCUYQASA-N 2 2 331.464 1.217 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(c3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)C2)C1 ZINC000330200877 444886076 /nfs/dbraw/zinc/88/60/76/444886076.db2.gz XBQAGNKTYIOAPB-QAPCUYQASA-N 2 2 331.464 1.217 20 0 EDADLP Cc1c[nH+]c(CN2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n1C ZINC000342851713 444893713 /nfs/dbraw/zinc/89/37/13/444893713.db2.gz KGKDCHPETQQOMY-MSOLQXFVSA-N 2 2 326.444 1.814 20 0 EDADLP Cc1c[nH+]c(CN2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n1C ZINC000342851713 444893718 /nfs/dbraw/zinc/89/37/18/444893718.db2.gz KGKDCHPETQQOMY-MSOLQXFVSA-N 2 2 326.444 1.814 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)C(C)C ZINC000341570056 444900075 /nfs/dbraw/zinc/90/00/75/444900075.db2.gz TUEOHWOPDWNSHM-IRXDYDNUSA-N 2 2 340.512 1.610 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)C(C)C ZINC000341570056 444900077 /nfs/dbraw/zinc/90/00/77/444900077.db2.gz TUEOHWOPDWNSHM-IRXDYDNUSA-N 2 2 340.512 1.610 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2n1 ZINC000330267152 444914347 /nfs/dbraw/zinc/91/43/47/444914347.db2.gz QJBQEQZMWAMOGB-NSHDSACASA-N 2 2 330.417 1.562 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)sc2n1 ZINC000330267152 444914350 /nfs/dbraw/zinc/91/43/50/444914350.db2.gz QJBQEQZMWAMOGB-NSHDSACASA-N 2 2 330.417 1.562 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3nnc(C(C)(C)C)[nH]3)CC2)CC1 ZINC000330340741 444944367 /nfs/dbraw/zinc/94/43/67/444944367.db2.gz YIOYTLDLQRGVQE-UHFFFAOYSA-N 2 2 348.539 1.952 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)nc[nH+]1 ZINC000339097235 445031918 /nfs/dbraw/zinc/03/19/18/445031918.db2.gz XDCZZJDXDIDOKY-AWEZNQCLSA-N 2 2 343.435 1.057 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)nc[nH+]1 ZINC000339097235 445031920 /nfs/dbraw/zinc/03/19/20/445031920.db2.gz XDCZZJDXDIDOKY-AWEZNQCLSA-N 2 2 343.435 1.057 20 0 EDADLP C[N@H+](C[C@](C)(O)C(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000337204045 444985082 /nfs/dbraw/zinc/98/50/82/444985082.db2.gz IJNUSQLUTQOTRA-JKSUJKDBSA-N 2 2 346.393 1.869 20 0 EDADLP C[N@@H+](C[C@](C)(O)C(F)(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000337204045 444985088 /nfs/dbraw/zinc/98/50/88/444985088.db2.gz IJNUSQLUTQOTRA-JKSUJKDBSA-N 2 2 346.393 1.869 20 0 EDADLP C[NH+](C[C@](C)(O)C(F)(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000337204045 444985091 /nfs/dbraw/zinc/98/50/91/444985091.db2.gz IJNUSQLUTQOTRA-JKSUJKDBSA-N 2 2 346.393 1.869 20 0 EDADLP C[NH+](C[C@](C)(O)C(F)(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000337204045 444985096 /nfs/dbraw/zinc/98/50/96/444985096.db2.gz IJNUSQLUTQOTRA-JKSUJKDBSA-N 2 2 346.393 1.869 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@H+](CC)C[C@@H]1C)[NH+]1CCOCC1 ZINC000341819745 445015827 /nfs/dbraw/zinc/01/58/27/445015827.db2.gz HGASZRLJKCBCOS-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCOCC1 ZINC000341819745 445015830 /nfs/dbraw/zinc/01/58/30/445015830.db2.gz HGASZRLJKCBCOS-RDJZCZTQSA-N 2 2 325.497 1.676 20 0 EDADLP CNC(=O)N[C@@H]1CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341904903 445063640 /nfs/dbraw/zinc/06/36/40/445063640.db2.gz KAUQYZUFFULDRG-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341904903 445063643 /nfs/dbraw/zinc/06/36/43/445063643.db2.gz KAUQYZUFFULDRG-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP CNC(=O)N[C@@H]1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341904903 445063646 /nfs/dbraw/zinc/06/36/46/445063646.db2.gz KAUQYZUFFULDRG-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP CNC(=O)N[C@@H]1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341904903 445063651 /nfs/dbraw/zinc/06/36/51/445063651.db2.gz KAUQYZUFFULDRG-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000337453854 445088457 /nfs/dbraw/zinc/08/84/57/445088457.db2.gz GUHDHXIBADMEFQ-QFBILLFUSA-N 2 2 345.487 1.913 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000343070806 445041946 /nfs/dbraw/zinc/04/19/46/445041946.db2.gz ISTFJESKUNETRF-UONOGXRCSA-N 2 2 333.436 1.064 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000343070806 445041950 /nfs/dbraw/zinc/04/19/50/445041950.db2.gz ISTFJESKUNETRF-UONOGXRCSA-N 2 2 333.436 1.064 20 0 EDADLP Cc1ccc2nc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc(=O)n2c1 ZINC000339428327 445137435 /nfs/dbraw/zinc/13/74/35/445137435.db2.gz GEBBDVOHGBIVHN-LJQANCHMSA-N 2 2 326.444 1.921 20 0 EDADLP Cc1ccc2nc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc(=O)n2c1 ZINC000339428327 445137439 /nfs/dbraw/zinc/13/74/39/445137439.db2.gz GEBBDVOHGBIVHN-LJQANCHMSA-N 2 2 326.444 1.921 20 0 EDADLP Cc1ccc2nc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc(=O)n2c1 ZINC000339428327 445137440 /nfs/dbraw/zinc/13/74/40/445137440.db2.gz GEBBDVOHGBIVHN-LJQANCHMSA-N 2 2 326.444 1.921 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc(=O)n2c1 ZINC000339428327 445137444 /nfs/dbraw/zinc/13/74/44/445137444.db2.gz GEBBDVOHGBIVHN-LJQANCHMSA-N 2 2 326.444 1.921 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000343150790 445098883 /nfs/dbraw/zinc/09/88/83/445098883.db2.gz GBDRQEZRUBAFON-APWZRJJASA-N 2 2 334.483 1.878 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000343150790 445098887 /nfs/dbraw/zinc/09/88/87/445098887.db2.gz GBDRQEZRUBAFON-APWZRJJASA-N 2 2 334.483 1.878 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cnn(C2CCCC2)c1 ZINC000337518032 445115846 /nfs/dbraw/zinc/11/58/46/445115846.db2.gz NJWXGSQKRKBHOL-RHSMWYFYSA-N 2 2 333.480 1.989 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cnn(C2CCCC2)c1 ZINC000337518032 445115851 /nfs/dbraw/zinc/11/58/51/445115851.db2.gz NJWXGSQKRKBHOL-RHSMWYFYSA-N 2 2 333.480 1.989 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000337607714 445163660 /nfs/dbraw/zinc/16/36/60/445163660.db2.gz VZXQOYQCSBGQSC-OAHLLOKOSA-N 2 2 334.439 1.158 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000339514132 445147231 /nfs/dbraw/zinc/14/72/31/445147231.db2.gz LCJSDHKHFRRDOH-OALUTQOASA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000339514132 445147235 /nfs/dbraw/zinc/14/72/35/445147235.db2.gz LCJSDHKHFRRDOH-OALUTQOASA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346550963 445218145 /nfs/dbraw/zinc/21/81/45/445218145.db2.gz DZGSCXNKUVXMHG-HNAYVOBHSA-N 2 2 343.450 1.931 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346897954 445227282 /nfs/dbraw/zinc/22/72/82/445227282.db2.gz SICANFFDCCDSTB-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346897954 445227284 /nfs/dbraw/zinc/22/72/84/445227284.db2.gz SICANFFDCCDSTB-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346897954 445227285 /nfs/dbraw/zinc/22/72/85/445227285.db2.gz SICANFFDCCDSTB-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H]1COCCN1CC[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346897954 445227288 /nfs/dbraw/zinc/22/72/88/445227288.db2.gz SICANFFDCCDSTB-ZHALLVOQSA-N 2 2 349.523 1.456 20 0 EDADLP CCCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346919126 445227532 /nfs/dbraw/zinc/22/75/32/445227532.db2.gz INTCDVWXZKACMS-UXLLHSPISA-N 2 2 335.496 1.650 20 0 EDADLP CCCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346919126 445227533 /nfs/dbraw/zinc/22/75/33/445227533.db2.gz INTCDVWXZKACMS-UXLLHSPISA-N 2 2 335.496 1.650 20 0 EDADLP CCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346919126 445227535 /nfs/dbraw/zinc/22/75/35/445227535.db2.gz INTCDVWXZKACMS-UXLLHSPISA-N 2 2 335.496 1.650 20 0 EDADLP CCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346919126 445227536 /nfs/dbraw/zinc/22/75/36/445227536.db2.gz INTCDVWXZKACMS-UXLLHSPISA-N 2 2 335.496 1.650 20 0 EDADLP Cn1nccc1[C@H]1[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CCC(=O)N1C ZINC000343457080 445226274 /nfs/dbraw/zinc/22/62/74/445226274.db2.gz HIJJCBCXUUJJIG-KBXCAEBGSA-N 2 2 338.415 1.520 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H](C)[NH+]2CCSCC2)CC[N@@H+]1CCOC ZINC000347442869 445238345 /nfs/dbraw/zinc/23/83/45/445238345.db2.gz DONPICISJNKGRJ-HOTGVXAUSA-N 2 2 343.537 1.383 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H](C)[NH+]2CCSCC2)CC[N@H+]1CCOC ZINC000347442869 445238346 /nfs/dbraw/zinc/23/83/46/445238346.db2.gz DONPICISJNKGRJ-HOTGVXAUSA-N 2 2 343.537 1.383 20 0 EDADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nnc1C ZINC000343578713 445248928 /nfs/dbraw/zinc/24/89/28/445248928.db2.gz XYMBGBLBKKWARM-UHFFFAOYSA-N 2 2 334.468 1.583 20 0 EDADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nnc1C ZINC000343578713 445248929 /nfs/dbraw/zinc/24/89/29/445248929.db2.gz XYMBGBLBKKWARM-UHFFFAOYSA-N 2 2 334.468 1.583 20 0 EDADLP O=S1(=O)CC[C@H](C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000348307900 445251237 /nfs/dbraw/zinc/25/12/37/445251237.db2.gz RDYFFANFMYAYPL-KZNAEPCWSA-N 2 2 334.485 1.485 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)C1 ZINC000347856222 445251250 /nfs/dbraw/zinc/25/12/50/445251250.db2.gz WDYKZYKVFQCWOC-CRAIPNDOSA-N 2 2 325.460 2.485 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)C1 ZINC000347856222 445251253 /nfs/dbraw/zinc/25/12/53/445251253.db2.gz WDYKZYKVFQCWOC-CRAIPNDOSA-N 2 2 325.460 2.485 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000343589571 445253559 /nfs/dbraw/zinc/25/35/59/445253559.db2.gz HIIQCAUQBLVKKU-INIZCTEOSA-N 2 2 339.443 1.300 20 0 EDADLP CN(C)S(=O)(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000351761428 445311602 /nfs/dbraw/zinc/31/16/02/445311602.db2.gz XQIDRHVHTNYDBS-UHFFFAOYSA-N 2 2 328.482 1.267 20 0 EDADLP CCCCNC(=O)C1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000351701716 445280060 /nfs/dbraw/zinc/28/00/60/445280060.db2.gz XNAAWGPFRJBBQL-INIZCTEOSA-N 2 2 325.497 1.650 20 0 EDADLP CCCCNC(=O)C1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000351701716 445280062 /nfs/dbraw/zinc/28/00/62/445280062.db2.gz XNAAWGPFRJBBQL-INIZCTEOSA-N 2 2 325.497 1.650 20 0 EDADLP CCOCC[C@H](O)C[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348126243 445282861 /nfs/dbraw/zinc/28/28/61/445282861.db2.gz XRHSZUFMEYMRKD-XHSDSOJGSA-N 2 2 342.459 1.052 20 0 EDADLP CCOCC[C@H](O)C[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348126243 445282865 /nfs/dbraw/zinc/28/28/65/445282865.db2.gz XRHSZUFMEYMRKD-XHSDSOJGSA-N 2 2 342.459 1.052 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000343660802 445288867 /nfs/dbraw/zinc/28/88/67/445288867.db2.gz CXOARNUYFMVRRL-JCKWVBRZSA-N 2 2 347.459 1.241 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000343660802 445288870 /nfs/dbraw/zinc/28/88/70/445288870.db2.gz CXOARNUYFMVRRL-JCKWVBRZSA-N 2 2 347.459 1.241 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000354636808 445323002 /nfs/dbraw/zinc/32/30/02/445323002.db2.gz SPBNFYOVCDSNSF-HZPDHXFCSA-N 2 2 340.512 1.110 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000348231393 445323466 /nfs/dbraw/zinc/32/34/66/445323466.db2.gz NRIXBYGKGSAURB-CVEARBPZSA-N 2 2 325.478 1.773 20 0 EDADLP CCOC[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000348472424 445302879 /nfs/dbraw/zinc/30/28/79/445302879.db2.gz XSVOPOJTQXTVTM-IRXDYDNUSA-N 2 2 348.491 1.769 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC000351876091 445350101 /nfs/dbraw/zinc/35/01/01/445350101.db2.gz AMKTZRIXISVCKB-HRCADAONSA-N 2 2 339.459 1.131 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC000351876091 445350104 /nfs/dbraw/zinc/35/01/04/445350104.db2.gz AMKTZRIXISVCKB-HRCADAONSA-N 2 2 339.459 1.131 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[NH+]1Cc1cnn(C)c1 ZINC000351904287 445365369 /nfs/dbraw/zinc/36/53/69/445365369.db2.gz GBLWHICAVYWNAR-HOTGVXAUSA-N 2 2 339.459 1.133 20 0 EDADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000351904287 445365373 /nfs/dbraw/zinc/36/53/73/445365373.db2.gz GBLWHICAVYWNAR-HOTGVXAUSA-N 2 2 339.459 1.133 20 0 EDADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000351904287 445365378 /nfs/dbraw/zinc/36/53/78/445365378.db2.gz GBLWHICAVYWNAR-HOTGVXAUSA-N 2 2 339.459 1.133 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000354647150 445325963 /nfs/dbraw/zinc/32/59/63/445325963.db2.gz UGKPVWNPTXJOIQ-HOTGVXAUSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000354647150 445325966 /nfs/dbraw/zinc/32/59/66/445325966.db2.gz UGKPVWNPTXJOIQ-HOTGVXAUSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000354647150 445325969 /nfs/dbraw/zinc/32/59/69/445325969.db2.gz UGKPVWNPTXJOIQ-HOTGVXAUSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000354647150 445325972 /nfs/dbraw/zinc/32/59/72/445325972.db2.gz UGKPVWNPTXJOIQ-HOTGVXAUSA-N 2 2 349.479 1.036 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357076200 445410207 /nfs/dbraw/zinc/41/02/07/445410207.db2.gz IGUBPMQQRGYPIX-AGIUHOORSA-N 2 2 334.395 1.404 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357076200 445410211 /nfs/dbraw/zinc/41/02/11/445410211.db2.gz IGUBPMQQRGYPIX-AGIUHOORSA-N 2 2 334.395 1.404 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357082432 445415294 /nfs/dbraw/zinc/41/52/94/445415294.db2.gz WXQDGYHULBRQMZ-PKOBYXMFSA-N 2 2 345.487 1.769 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357082432 445415297 /nfs/dbraw/zinc/41/52/97/445415297.db2.gz WXQDGYHULBRQMZ-PKOBYXMFSA-N 2 2 345.487 1.769 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357087337 445419110 /nfs/dbraw/zinc/41/91/10/445419110.db2.gz MYSMZMDQWCMTSW-FUHWJXTLSA-N 2 2 331.460 1.381 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357087337 445419113 /nfs/dbraw/zinc/41/91/13/445419113.db2.gz MYSMZMDQWCMTSW-FUHWJXTLSA-N 2 2 331.460 1.381 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357091006 445421595 /nfs/dbraw/zinc/42/15/95/445421595.db2.gz VSFOCZPLOHHWCQ-CABCVRRESA-N 2 2 338.473 1.400 20 0 EDADLP CS(=O)(=O)c1ccc(OCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357091006 445421598 /nfs/dbraw/zinc/42/15/98/445421598.db2.gz VSFOCZPLOHHWCQ-CABCVRRESA-N 2 2 338.473 1.400 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000362637579 445473549 /nfs/dbraw/zinc/47/35/49/445473549.db2.gz HSJOPNNSBKHKRJ-PMPSAXMXSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000362637579 445473552 /nfs/dbraw/zinc/47/35/52/445473552.db2.gz HSJOPNNSBKHKRJ-PMPSAXMXSA-N 2 2 338.496 1.269 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2cc[nH]n2)cc[nH+]1 ZINC000354917834 445433566 /nfs/dbraw/zinc/43/35/66/445433566.db2.gz IALQQBGPFJMYDX-TZMCWYRMSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)Cc2cc[nH]n2)cc[nH+]1 ZINC000354917834 445433572 /nfs/dbraw/zinc/43/35/72/445433572.db2.gz IALQQBGPFJMYDX-TZMCWYRMSA-N 2 2 333.415 1.315 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000348900793 445434864 /nfs/dbraw/zinc/43/48/64/445434864.db2.gz MZLKNSUAYJJTRK-QZTJIDSGSA-N 2 2 337.508 1.822 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000348900793 445434865 /nfs/dbraw/zinc/43/48/65/445434865.db2.gz MZLKNSUAYJJTRK-QZTJIDSGSA-N 2 2 337.508 1.822 20 0 EDADLP COCCOc1cc2c(cc1C[N@@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)OCO2 ZINC000357121171 445438925 /nfs/dbraw/zinc/43/89/25/445438925.db2.gz PDIHKYMZBNSSCW-HIFRSBDPSA-N 2 2 334.416 1.482 20 0 EDADLP COCCOc1cc2c(cc1C[N@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)OCO2 ZINC000357121171 445438929 /nfs/dbraw/zinc/43/89/29/445438929.db2.gz PDIHKYMZBNSSCW-HIFRSBDPSA-N 2 2 334.416 1.482 20 0 EDADLP CC[C@H](COC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355031353 445439605 /nfs/dbraw/zinc/43/96/05/445439605.db2.gz KDXWREJBYAQOGG-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H](COC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355031353 445439609 /nfs/dbraw/zinc/43/96/09/445439609.db2.gz KDXWREJBYAQOGG-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)[C@H](C)C2)C1 ZINC000352017519 445441403 /nfs/dbraw/zinc/44/14/03/445441403.db2.gz HSIQPSHZFRSWQN-HUUCEWRRSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(F)[C@H](C)C2)C1 ZINC000352017519 445441405 /nfs/dbraw/zinc/44/14/05/445441405.db2.gz HSIQPSHZFRSWQN-HUUCEWRRSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)C1 ZINC000352017519 445441410 /nfs/dbraw/zinc/44/14/10/445441410.db2.gz HSIQPSHZFRSWQN-HUUCEWRRSA-N 2 2 347.450 1.437 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)C1 ZINC000352017519 445441414 /nfs/dbraw/zinc/44/14/14/445441414.db2.gz HSIQPSHZFRSWQN-HUUCEWRRSA-N 2 2 347.450 1.437 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348928008 445443783 /nfs/dbraw/zinc/44/37/83/445443783.db2.gz OKPAUOSTKLALFD-CVEARBPZSA-N 2 2 338.883 1.305 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348928008 445443786 /nfs/dbraw/zinc/44/37/86/445443786.db2.gz OKPAUOSTKLALFD-CVEARBPZSA-N 2 2 338.883 1.305 20 0 EDADLP CCOc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1OC ZINC000362660941 445483494 /nfs/dbraw/zinc/48/34/94/445483494.db2.gz BEXHSULQWPVOMR-INIZCTEOSA-N 2 2 347.459 1.490 20 0 EDADLP CCOc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1OC ZINC000362660941 445483501 /nfs/dbraw/zinc/48/35/01/445483501.db2.gz BEXHSULQWPVOMR-INIZCTEOSA-N 2 2 347.459 1.490 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cn1 ZINC000352030628 445449890 /nfs/dbraw/zinc/44/98/90/445449890.db2.gz WPJKCYHZGKFQLE-SFHVURJKSA-N 2 2 333.480 1.012 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cn1 ZINC000352030628 445449895 /nfs/dbraw/zinc/44/98/95/445449895.db2.gz WPJKCYHZGKFQLE-SFHVURJKSA-N 2 2 333.480 1.012 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)n1 ZINC000355593978 445470586 /nfs/dbraw/zinc/47/05/86/445470586.db2.gz DUVRXBOELCNHGD-INIZCTEOSA-N 2 2 349.866 2.340 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+]([C@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000362720351 445517116 /nfs/dbraw/zinc/51/71/16/445517116.db2.gz VHAOMSVRBIWLLQ-AEFFLSMTSA-N 2 2 330.476 1.172 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000362720351 445517118 /nfs/dbraw/zinc/51/71/18/445517118.db2.gz VHAOMSVRBIWLLQ-AEFFLSMTSA-N 2 2 330.476 1.172 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000355903207 445524915 /nfs/dbraw/zinc/52/49/15/445524915.db2.gz ZMRNCEOYOFLUTN-LSDHHAIUSA-N 2 2 349.479 1.194 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NC(=O)NCC(F)(F)F ZINC000359952105 445501907 /nfs/dbraw/zinc/50/19/07/445501907.db2.gz INSKXRINCHADFV-VHSXEESVSA-N 2 2 347.341 1.127 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352810489 445557246 /nfs/dbraw/zinc/55/72/46/445557246.db2.gz CSHLOPXMMJXXGP-VIQHNZTISA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352810489 445557249 /nfs/dbraw/zinc/55/72/49/445557249.db2.gz CSHLOPXMMJXXGP-VIQHNZTISA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352810489 445557251 /nfs/dbraw/zinc/55/72/51/445557251.db2.gz CSHLOPXMMJXXGP-VIQHNZTISA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000352810489 445557252 /nfs/dbraw/zinc/55/72/52/445557252.db2.gz CSHLOPXMMJXXGP-VIQHNZTISA-N 2 2 325.497 1.671 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362824762 445566664 /nfs/dbraw/zinc/56/66/64/445566664.db2.gz BUYHIPZZTABCLI-QGZVFWFLSA-N 2 2 344.459 1.138 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362824762 445566669 /nfs/dbraw/zinc/56/66/69/445566669.db2.gz BUYHIPZZTABCLI-QGZVFWFLSA-N 2 2 344.459 1.138 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000362858416 445584263 /nfs/dbraw/zinc/58/42/63/445584263.db2.gz BTDNGWZPWCBFJU-ZDUSSCGKSA-N 2 2 342.399 1.999 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000362858416 445584267 /nfs/dbraw/zinc/58/42/67/445584267.db2.gz BTDNGWZPWCBFJU-ZDUSSCGKSA-N 2 2 342.399 1.999 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000356221922 445684064 /nfs/dbraw/zinc/68/40/64/445684064.db2.gz ISXZIVFDNNEDCS-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@H+]1CCCC[C@@H]1C ZINC000356221922 445684069 /nfs/dbraw/zinc/68/40/69/445684069.db2.gz ISXZIVFDNNEDCS-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000363137397 445692508 /nfs/dbraw/zinc/69/25/08/445692508.db2.gz YLPUKKCQSVBJLL-IAGOWNOFSA-N 2 2 336.524 1.536 20 0 EDADLP Cc1nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000360876976 445737207 /nfs/dbraw/zinc/73/72/07/445737207.db2.gz MPDLLTLNCPVOCJ-CZUORRHYSA-N 2 2 326.448 2.178 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@H]1C ZINC000353766687 445745124 /nfs/dbraw/zinc/74/51/24/445745124.db2.gz HXIXXJNNBXGMNI-WBVHZDCISA-N 2 2 349.523 1.870 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@H]1C ZINC000353766687 445745132 /nfs/dbraw/zinc/74/51/32/445745132.db2.gz HXIXXJNNBXGMNI-WBVHZDCISA-N 2 2 349.523 1.870 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@H]1C ZINC000353766687 445745138 /nfs/dbraw/zinc/74/51/38/445745138.db2.gz HXIXXJNNBXGMNI-WBVHZDCISA-N 2 2 349.523 1.870 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)C[C@H]1C ZINC000353766687 445745143 /nfs/dbraw/zinc/74/51/43/445745143.db2.gz HXIXXJNNBXGMNI-WBVHZDCISA-N 2 2 349.523 1.870 20 0 EDADLP CCc1ncc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)s1 ZINC000353768782 445745655 /nfs/dbraw/zinc/74/56/55/445745655.db2.gz POMATXURXBHEQS-UHFFFAOYSA-N 2 2 332.477 1.884 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC000353774807 445748550 /nfs/dbraw/zinc/74/85/50/445748550.db2.gz CLVLVGSYTHNDJC-KRWDZBQOSA-N 3 2 345.491 1.435 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCc4[nH+]ccn43)CC2)CC1 ZINC000353774808 445749154 /nfs/dbraw/zinc/74/91/54/445749154.db2.gz CLVLVGSYTHNDJC-QGZVFWFLSA-N 3 2 345.491 1.435 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000358758264 445760634 /nfs/dbraw/zinc/76/06/34/445760634.db2.gz ROFOWARBGQNLFB-VQIMIIECSA-N 2 2 325.460 1.792 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)N1CCc2ccccc21 ZINC000363415422 445795371 /nfs/dbraw/zinc/79/53/71/445795371.db2.gz WGBAYXMZVBWKHP-ZIFCJYIRSA-N 2 2 325.456 1.992 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)N1CCc2ccccc21 ZINC000363415422 445795373 /nfs/dbraw/zinc/79/53/73/445795373.db2.gz WGBAYXMZVBWKHP-ZIFCJYIRSA-N 2 2 325.456 1.992 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)N1CCc2ccccc21 ZINC000363415422 445795376 /nfs/dbraw/zinc/79/53/76/445795376.db2.gz WGBAYXMZVBWKHP-ZIFCJYIRSA-N 2 2 325.456 1.992 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)N1CCc2ccccc21 ZINC000363415422 445795378 /nfs/dbraw/zinc/79/53/78/445795378.db2.gz WGBAYXMZVBWKHP-ZIFCJYIRSA-N 2 2 325.456 1.992 20 0 EDADLP O=C(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)NCC(F)F ZINC000358836819 445801967 /nfs/dbraw/zinc/80/19/67/445801967.db2.gz YYGAXZLKFRGHOC-UHFFFAOYSA-N 2 2 333.302 1.004 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000356607715 445883049 /nfs/dbraw/zinc/88/30/49/445883049.db2.gz XYLXESUQLVCWQC-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000356607715 445883051 /nfs/dbraw/zinc/88/30/51/445883051.db2.gz XYLXESUQLVCWQC-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000356607715 445883055 /nfs/dbraw/zinc/88/30/55/445883055.db2.gz XYLXESUQLVCWQC-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000356607715 445883060 /nfs/dbraw/zinc/88/30/60/445883060.db2.gz XYLXESUQLVCWQC-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@H]3CC34CC[NH2+]CC4)CC2)nc[nH+]1 ZINC000361702575 445885667 /nfs/dbraw/zinc/88/56/67/445885667.db2.gz WARDIMRHAUHYDC-OAHLLOKOSA-N 2 2 329.448 1.260 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc([S@@](C)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354036307 445866778 /nfs/dbraw/zinc/86/67/78/445866778.db2.gz GVSWWDMPVPOCTF-LNZPYGSCSA-N 2 2 349.544 1.882 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc([S@@](C)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354036307 445866782 /nfs/dbraw/zinc/86/67/82/445866782.db2.gz GVSWWDMPVPOCTF-LNZPYGSCSA-N 2 2 349.544 1.882 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000361667410 445868544 /nfs/dbraw/zinc/86/85/44/445868544.db2.gz QEYWZWVKGNGGJE-CVEARBPZSA-N 2 2 334.464 1.454 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000361667410 445868546 /nfs/dbraw/zinc/86/85/46/445868546.db2.gz QEYWZWVKGNGGJE-CVEARBPZSA-N 2 2 334.464 1.454 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000359085686 445933637 /nfs/dbraw/zinc/93/36/37/445933637.db2.gz DMBHFVZISHSEGX-OKZBNKHCSA-N 2 2 337.508 1.866 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000359085686 445933644 /nfs/dbraw/zinc/93/36/44/445933644.db2.gz DMBHFVZISHSEGX-OKZBNKHCSA-N 2 2 337.508 1.866 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000350749483 445896760 /nfs/dbraw/zinc/89/67/60/445896760.db2.gz VDMHZMNQLCKABM-IJEWVQPXSA-N 2 2 337.468 1.670 20 0 EDADLP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000356639757 445904370 /nfs/dbraw/zinc/90/43/70/445904370.db2.gz HLIGFLPRQJPCSE-PKOBYXMFSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000356639757 445904374 /nfs/dbraw/zinc/90/43/74/445904374.db2.gz HLIGFLPRQJPCSE-PKOBYXMFSA-N 2 2 349.519 1.964 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000350782721 445904900 /nfs/dbraw/zinc/90/49/00/445904900.db2.gz KZOMGESITDETDF-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000350782721 445904904 /nfs/dbraw/zinc/90/49/04/445904904.db2.gz KZOMGESITDETDF-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP CO[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[C@@H]1C ZINC000364800001 445956463 /nfs/dbraw/zinc/95/64/63/445956463.db2.gz NTRDDRFUPAHAFC-ZMSDIMECSA-N 2 2 338.496 1.221 20 0 EDADLP CO[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[C@@H]1C ZINC000364800001 445956472 /nfs/dbraw/zinc/95/64/72/445956472.db2.gz NTRDDRFUPAHAFC-ZMSDIMECSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@@H+]1CCc2sccc2C1 ZINC000359170980 445997988 /nfs/dbraw/zinc/99/79/88/445997988.db2.gz NCOLPNCCIGGBKM-GFCCVEGCSA-N 2 2 348.472 1.974 20 0 EDADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@H+]1CCc2sccc2C1 ZINC000359170980 445997989 /nfs/dbraw/zinc/99/79/89/445997989.db2.gz NCOLPNCCIGGBKM-GFCCVEGCSA-N 2 2 348.472 1.974 20 0 EDADLP COC1(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)CCOCC1 ZINC000373016744 445976838 /nfs/dbraw/zinc/97/68/38/445976838.db2.gz XTNCJFYEMMMBMD-UHFFFAOYSA-N 2 2 336.480 1.475 20 0 EDADLP COC1(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)CCOCC1 ZINC000373016744 445976846 /nfs/dbraw/zinc/97/68/46/445976846.db2.gz XTNCJFYEMMMBMD-UHFFFAOYSA-N 2 2 336.480 1.475 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000356753676 445987590 /nfs/dbraw/zinc/98/75/90/445987590.db2.gz WGRGQMXXGPALDV-NEWSRXKRSA-N 2 2 345.487 1.481 20 0 EDADLP COC(=O)c1occc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369268622 446033634 /nfs/dbraw/zinc/03/36/34/446033634.db2.gz UMOFEOXCSMHEEO-HOCLYGCPSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1occc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369268622 446033642 /nfs/dbraw/zinc/03/36/42/446033642.db2.gz UMOFEOXCSMHEEO-HOCLYGCPSA-N 2 2 335.448 1.524 20 0 EDADLP COC(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369273304 446036547 /nfs/dbraw/zinc/03/65/47/446036547.db2.gz GHUKYYJWLIPMQG-MRXNPFEDSA-N 2 2 345.443 1.372 20 0 EDADLP COC(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369273304 446036552 /nfs/dbraw/zinc/03/65/52/446036552.db2.gz GHUKYYJWLIPMQG-MRXNPFEDSA-N 2 2 345.443 1.372 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cn4ccccc4n3)C2)CC1 ZINC000369272758 446036932 /nfs/dbraw/zinc/03/69/32/446036932.db2.gz CRFOVJBQTYVZQR-OAHLLOKOSA-N 2 2 341.459 1.162 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cn4ccccc4n3)C2)CC1 ZINC000369272758 446036935 /nfs/dbraw/zinc/03/69/35/446036935.db2.gz CRFOVJBQTYVZQR-OAHLLOKOSA-N 2 2 341.459 1.162 20 0 EDADLP CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275600 446040341 /nfs/dbraw/zinc/04/03/41/446040341.db2.gz XZBWDHKYNCQQTE-OAHLLOKOSA-N 2 2 331.460 1.984 20 0 EDADLP CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275600 446040346 /nfs/dbraw/zinc/04/03/46/446040346.db2.gz XZBWDHKYNCQQTE-OAHLLOKOSA-N 2 2 331.460 1.984 20 0 EDADLP C[C@H](C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000359213939 446043573 /nfs/dbraw/zinc/04/35/73/446043573.db2.gz LPAYVNZHMJPHHN-DNVCBOLYSA-N 2 2 345.466 1.874 20 0 EDADLP COc1ccc2ccccc2c1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000583192997 326023038 /nfs/dbraw/zinc/02/30/38/326023038.db2.gz JGIZVWXWSLGYAS-HNNXBMFYSA-N 2 2 342.443 1.633 20 0 EDADLP COc1ccc2ccccc2c1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000583192997 326023040 /nfs/dbraw/zinc/02/30/40/326023040.db2.gz JGIZVWXWSLGYAS-HNNXBMFYSA-N 2 2 342.443 1.633 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000583559977 326095655 /nfs/dbraw/zinc/09/56/55/326095655.db2.gz QEMLHTNMUDFESG-VVLHAWIVSA-N 2 2 336.480 1.129 20 0 EDADLP CO[C@@H]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[C@@H](C[NH3+])C1 ZINC000359229213 446059122 /nfs/dbraw/zinc/05/91/22/446059122.db2.gz OGXFATCDVNHBAT-IAGOWNOFSA-N 2 2 328.416 1.510 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000584287041 326235701 /nfs/dbraw/zinc/23/57/01/326235701.db2.gz RRCJUSHYHWLFNR-PMACEKPBSA-N 2 2 327.472 1.579 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000366195132 446075371 /nfs/dbraw/zinc/07/53/71/446075371.db2.gz KSNLCJKBHILAGJ-SFHVURJKSA-N 2 2 340.427 1.855 20 0 EDADLP C[NH+]1CCC(n2ccc(NCc3[nH+]ccn3CC(F)(F)F)n2)CC1 ZINC000373263800 446132250 /nfs/dbraw/zinc/13/22/50/446132250.db2.gz LIVHVSYWLIPCCU-UHFFFAOYSA-N 2 2 342.369 2.521 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1F ZINC000361942116 446092516 /nfs/dbraw/zinc/09/25/16/446092516.db2.gz GNZZQQASEWCLJU-MLGOLLRUSA-N 2 2 348.447 1.860 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3)C2)CC1 ZINC000369367954 446109931 /nfs/dbraw/zinc/10/99/31/446109931.db2.gz AMNLEZIESUBSCU-WMZOPIPTSA-N 2 2 346.475 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CO)c3ccccc3)C2)CC1 ZINC000369367954 446109935 /nfs/dbraw/zinc/10/99/35/446109935.db2.gz AMNLEZIESUBSCU-WMZOPIPTSA-N 2 2 346.475 1.188 20 0 EDADLP COC1(CO)CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000373244826 446117999 /nfs/dbraw/zinc/11/79/99/446117999.db2.gz LOLIDIHOJMSHPI-UHFFFAOYSA-N 2 2 339.505 1.883 20 0 EDADLP COC1(CO)CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000373244826 446118003 /nfs/dbraw/zinc/11/80/03/446118003.db2.gz LOLIDIHOJMSHPI-UHFFFAOYSA-N 2 2 339.505 1.883 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359285043 446119891 /nfs/dbraw/zinc/11/98/91/446119891.db2.gz LJBYDVODVFZXHN-KFWWJZLASA-N 2 2 342.443 1.292 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359285043 446119895 /nfs/dbraw/zinc/11/98/95/446119895.db2.gz LJBYDVODVFZXHN-KFWWJZLASA-N 2 2 342.443 1.292 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354345747 446129710 /nfs/dbraw/zinc/12/97/10/446129710.db2.gz DIPKNOZQNVIJFH-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354345747 446129714 /nfs/dbraw/zinc/12/97/14/446129714.db2.gz DIPKNOZQNVIJFH-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000354345747 446129720 /nfs/dbraw/zinc/12/97/20/446129720.db2.gz DIPKNOZQNVIJFH-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000354345747 446129727 /nfs/dbraw/zinc/12/97/27/446129727.db2.gz DIPKNOZQNVIJFH-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366354534 446169721 /nfs/dbraw/zinc/16/97/21/446169721.db2.gz NMFOIYPYRCFAIV-IAGOWNOFSA-N 2 2 349.479 1.558 20 0 EDADLP CC(C)[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cccnc1 ZINC000359370622 446178285 /nfs/dbraw/zinc/17/82/85/446178285.db2.gz JSPMHTHDALRWOK-LJQANCHMSA-N 2 2 334.508 1.758 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H](C)O1 ZINC000373367828 446184502 /nfs/dbraw/zinc/18/45/02/446184502.db2.gz DQYTYRYLJWGNDE-ZNMIVQPWSA-N 2 2 334.464 1.835 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H](C)O1 ZINC000373367828 446184507 /nfs/dbraw/zinc/18/45/07/446184507.db2.gz DQYTYRYLJWGNDE-ZNMIVQPWSA-N 2 2 334.464 1.835 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CCCc3[nH]c[nH+]c32)C[C@H](C)O1 ZINC000373367828 446184511 /nfs/dbraw/zinc/18/45/11/446184511.db2.gz DQYTYRYLJWGNDE-ZNMIVQPWSA-N 2 2 334.464 1.835 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CCCc3[nH]c[nH+]c32)C[C@H](C)O1 ZINC000373367828 446184515 /nfs/dbraw/zinc/18/45/15/446184515.db2.gz DQYTYRYLJWGNDE-ZNMIVQPWSA-N 2 2 334.464 1.835 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359312349 446142673 /nfs/dbraw/zinc/14/26/73/446142673.db2.gz UYIWYIGLVULSSV-FVQBIDKESA-N 2 2 326.444 1.366 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000365327175 446149821 /nfs/dbraw/zinc/14/98/21/446149821.db2.gz NEVYGWZNKQKKOE-QLFBSQMISA-N 2 2 335.452 1.109 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000365327175 446149825 /nfs/dbraw/zinc/14/98/25/446149825.db2.gz NEVYGWZNKQKKOE-QLFBSQMISA-N 2 2 335.452 1.109 20 0 EDADLP CCN1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000354430590 446198727 /nfs/dbraw/zinc/19/87/27/446198727.db2.gz DOLXQLRQPZOGLF-INIZCTEOSA-N 2 2 346.479 1.450 20 0 EDADLP CCN1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000354430590 446198734 /nfs/dbraw/zinc/19/87/34/446198734.db2.gz DOLXQLRQPZOGLF-INIZCTEOSA-N 2 2 346.479 1.450 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[NH+]2CCC1CC2 ZINC000370259436 446200452 /nfs/dbraw/zinc/20/04/52/446200452.db2.gz CSRSWQMHSWQYFL-UHFFFAOYSA-N 2 2 326.404 1.257 20 0 EDADLP C[C@H]1CN(C(=O)N(C)C2CCOCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000370285104 446214138 /nfs/dbraw/zinc/21/41/38/446214138.db2.gz JUKGJQURNQCBCT-HNNXBMFYSA-N 2 2 338.496 1.318 20 0 EDADLP C[C@H]1CN(C(=O)N(C)C2CCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000370285104 446214143 /nfs/dbraw/zinc/21/41/43/446214143.db2.gz JUKGJQURNQCBCT-HNNXBMFYSA-N 2 2 338.496 1.318 20 0 EDADLP Cc1cc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)c[nH+]1 ZINC000362105388 446215820 /nfs/dbraw/zinc/21/58/20/446215820.db2.gz HFSUDZMNOMAVIH-HNNXBMFYSA-N 2 2 332.448 1.743 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000365460253 446217834 /nfs/dbraw/zinc/21/78/34/446217834.db2.gz ROUDBYFIMVEQNR-SWLSCSKDSA-N 2 2 333.461 1.974 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000365460253 446217837 /nfs/dbraw/zinc/21/78/37/446217837.db2.gz ROUDBYFIMVEQNR-SWLSCSKDSA-N 2 2 333.461 1.974 20 0 EDADLP Cc1cc(N2CCC(NC(=O)CCC3CC[NH2+]CC3)CC2)nc[nH+]1 ZINC000362120298 446225126 /nfs/dbraw/zinc/22/51/26/446225126.db2.gz ZUIAUTMTZJDOOP-UHFFFAOYSA-N 2 2 331.464 1.650 20 0 EDADLP CC(C)CC[C@H](O)C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000366497179 446237851 /nfs/dbraw/zinc/23/78/51/446237851.db2.gz ZFTHHORTACRBQO-BZSNNMDCSA-N 2 2 327.513 1.120 20 0 EDADLP CC(C)CC[C@H](O)C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000366497179 446237856 /nfs/dbraw/zinc/23/78/56/446237856.db2.gz ZFTHHORTACRBQO-BZSNNMDCSA-N 2 2 327.513 1.120 20 0 EDADLP CC(C)CC[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000366497179 446237860 /nfs/dbraw/zinc/23/78/60/446237860.db2.gz ZFTHHORTACRBQO-BZSNNMDCSA-N 2 2 327.513 1.120 20 0 EDADLP Cc1ccc(N2CCC[C@@H](C(=O)N(C)CC[NH+]3CCOCC3)C2)[nH+]c1 ZINC000365538323 446246145 /nfs/dbraw/zinc/24/61/45/446246145.db2.gz RJABOPZPLHZFKM-QGZVFWFLSA-N 2 2 346.475 1.397 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000362177187 446247628 /nfs/dbraw/zinc/24/76/28/446247628.db2.gz HRYYNGBFTVABSX-KRWDZBQOSA-N 2 2 332.448 1.195 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000362177187 446247631 /nfs/dbraw/zinc/24/76/31/446247631.db2.gz HRYYNGBFTVABSX-KRWDZBQOSA-N 2 2 332.448 1.195 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000366531054 446250875 /nfs/dbraw/zinc/25/08/75/446250875.db2.gz HTEVRAVTWHPHAF-AWEZNQCLSA-N 2 2 328.420 1.209 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000366531054 446250878 /nfs/dbraw/zinc/25/08/78/446250878.db2.gz HTEVRAVTWHPHAF-AWEZNQCLSA-N 2 2 328.420 1.209 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373545857 446255686 /nfs/dbraw/zinc/25/56/86/446255686.db2.gz GOSWPUNKNOKLHR-HOCLYGCPSA-N 2 2 325.416 1.872 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000365583249 446262423 /nfs/dbraw/zinc/26/24/23/446262423.db2.gz LLTVLJCDNIYTQW-KRWDZBQOSA-N 2 2 335.492 1.765 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000365583249 446262425 /nfs/dbraw/zinc/26/24/25/446262425.db2.gz LLTVLJCDNIYTQW-KRWDZBQOSA-N 2 2 335.492 1.765 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000366592399 446272765 /nfs/dbraw/zinc/27/27/65/446272765.db2.gz IHMWNFOIWCRSJH-YOEHRIQHSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000366592399 446272767 /nfs/dbraw/zinc/27/27/67/446272767.db2.gz IHMWNFOIWCRSJH-YOEHRIQHSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000366592399 446272772 /nfs/dbraw/zinc/27/27/72/446272772.db2.gz IHMWNFOIWCRSJH-YOEHRIQHSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000366592399 446272775 /nfs/dbraw/zinc/27/27/75/446272775.db2.gz IHMWNFOIWCRSJH-YOEHRIQHSA-N 2 2 336.480 1.166 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365638558 446283576 /nfs/dbraw/zinc/28/35/76/446283576.db2.gz NAGWDINKDBYBTH-MRXNPFEDSA-N 2 2 342.443 1.925 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365638558 446283578 /nfs/dbraw/zinc/28/35/78/446283578.db2.gz NAGWDINKDBYBTH-MRXNPFEDSA-N 2 2 342.443 1.925 20 0 EDADLP O=C1C[C@H](Nc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)[C@H]2CCCCN12 ZINC000370542600 446325402 /nfs/dbraw/zinc/32/54/02/446325402.db2.gz SIRASEIZTIGYQZ-LSDHHAIUSA-N 2 2 349.398 1.776 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)S1 ZINC000365816771 446354222 /nfs/dbraw/zinc/35/42/22/446354222.db2.gz MRUNJAMTGPCTMM-QLFBSQMISA-N 2 2 336.505 1.496 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)S1 ZINC000365816771 446354225 /nfs/dbraw/zinc/35/42/25/446354225.db2.gz MRUNJAMTGPCTMM-QLFBSQMISA-N 2 2 336.505 1.496 20 0 EDADLP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000370616440 446359376 /nfs/dbraw/zinc/35/93/76/446359376.db2.gz SXHWBXMTQGVSAG-SJLPKXTDSA-N 2 2 335.496 1.521 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000370633992 446366246 /nfs/dbraw/zinc/36/62/46/446366246.db2.gz HURKFJKXPDCFGB-IRXDYDNUSA-N 2 2 326.448 1.720 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000370633992 446366251 /nfs/dbraw/zinc/36/62/51/446366251.db2.gz HURKFJKXPDCFGB-IRXDYDNUSA-N 2 2 326.448 1.720 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(c3ccnc4c3cnn4C)CC2)CC1 ZINC000376186606 446371904 /nfs/dbraw/zinc/37/19/04/446371904.db2.gz ICHYDASAVAKCNK-UHFFFAOYSA-N 2 2 342.491 1.965 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000366844203 446379344 /nfs/dbraw/zinc/37/93/44/446379344.db2.gz QLQGOMBZYJDFNV-SWLSCSKDSA-N 2 2 342.374 1.681 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1 ZINC000366844203 446379348 /nfs/dbraw/zinc/37/93/48/446379348.db2.gz QLQGOMBZYJDFNV-SWLSCSKDSA-N 2 2 342.374 1.681 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000376207906 446380255 /nfs/dbraw/zinc/38/02/55/446380255.db2.gz FJXQKHGRQKNYFB-BZUAXINKSA-N 2 2 349.479 1.511 20 0 EDADLP C[NH+]1CCC(CC(=O)NC2CC[NH+](Cc3cscn3)CC2)CC1 ZINC000365889932 446389851 /nfs/dbraw/zinc/38/98/51/446389851.db2.gz MIBOVDOTOQMYNE-UHFFFAOYSA-N 2 2 336.505 1.956 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417946418 446394285 /nfs/dbraw/zinc/39/42/85/446394285.db2.gz FFZVNVBNECLLGT-KBPBESRZSA-N 2 2 326.391 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417946418 446394288 /nfs/dbraw/zinc/39/42/88/446394288.db2.gz FFZVNVBNECLLGT-KBPBESRZSA-N 2 2 326.391 1.747 20 0 EDADLP CCn1nncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000417951283 446396962 /nfs/dbraw/zinc/39/69/62/446396962.db2.gz YPVQDCJTZYABIC-FUHWJXTLSA-N 2 2 329.448 1.271 20 0 EDADLP CCn1nncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000417951283 446396966 /nfs/dbraw/zinc/39/69/66/446396966.db2.gz YPVQDCJTZYABIC-FUHWJXTLSA-N 2 2 329.448 1.271 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)C1CCOCC1 ZINC000431719006 446429669 /nfs/dbraw/zinc/42/96/69/446429669.db2.gz MWJWMITVBQMTHU-UHFFFAOYSA-N 2 2 339.524 1.924 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)C1CCOCC1 ZINC000431719006 446429675 /nfs/dbraw/zinc/42/96/75/446429675.db2.gz MWJWMITVBQMTHU-UHFFFAOYSA-N 2 2 339.524 1.924 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000374911181 446452595 /nfs/dbraw/zinc/45/25/95/446452595.db2.gz IQOBERCSGYNXEX-HUUCEWRRSA-N 2 2 340.493 1.364 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000374911181 446452600 /nfs/dbraw/zinc/45/26/00/446452600.db2.gz IQOBERCSGYNXEX-HUUCEWRRSA-N 2 2 340.493 1.364 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@](F)(c3ccc(F)cc3)C2)CC1 ZINC000366985566 446444458 /nfs/dbraw/zinc/44/44/58/446444458.db2.gz AOISUEKHEAEXED-SFHVURJKSA-N 2 2 337.414 1.860 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@](F)(c3ccc(F)cc3)C2)CC1 ZINC000366985566 446444466 /nfs/dbraw/zinc/44/44/66/446444466.db2.gz AOISUEKHEAEXED-SFHVURJKSA-N 2 2 337.414 1.860 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000417984206 446406881 /nfs/dbraw/zinc/40/68/81/446406881.db2.gz CXRBXTFZPGNHJF-JBCWJZNQSA-N 2 2 344.381 1.886 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000417984206 446406886 /nfs/dbraw/zinc/40/68/86/446406886.db2.gz CXRBXTFZPGNHJF-JBCWJZNQSA-N 2 2 344.381 1.886 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420290299 446454297 /nfs/dbraw/zinc/45/42/97/446454297.db2.gz LUIPRYDBOCGTNJ-ZIAGYGMSSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420290299 446454299 /nfs/dbraw/zinc/45/42/99/446454299.db2.gz LUIPRYDBOCGTNJ-ZIAGYGMSSA-N 2 2 333.432 1.861 20 0 EDADLP CN(C(=O)COc1ccccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370821472 446460346 /nfs/dbraw/zinc/46/03/46/446460346.db2.gz URFZGPYORPIMNV-INIZCTEOSA-N 2 2 349.450 1.831 20 0 EDADLP CN(C(=O)COc1ccccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370821472 446460355 /nfs/dbraw/zinc/46/03/55/446460355.db2.gz URFZGPYORPIMNV-INIZCTEOSA-N 2 2 349.450 1.831 20 0 EDADLP CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)CS(C)(=O)=O ZINC000420302978 446466722 /nfs/dbraw/zinc/46/67/22/446466722.db2.gz MVYHKIAXPYMWOL-DZGCQCFKSA-N 2 2 328.478 1.493 20 0 EDADLP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)CS(C)(=O)=O ZINC000420302978 446466729 /nfs/dbraw/zinc/46/67/29/446466729.db2.gz MVYHKIAXPYMWOL-DZGCQCFKSA-N 2 2 328.478 1.493 20 0 EDADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccccc1Br ZINC000420308698 446471000 /nfs/dbraw/zinc/47/10/00/446471000.db2.gz NWBHFVNOPYAIGK-UHFFFAOYSA-N 2 2 330.226 1.031 20 0 EDADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccccc1Br ZINC000420308698 446471006 /nfs/dbraw/zinc/47/10/06/446471006.db2.gz NWBHFVNOPYAIGK-UHFFFAOYSA-N 2 2 330.226 1.031 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000367027534 446472688 /nfs/dbraw/zinc/47/26/88/446472688.db2.gz FXVUZORZWQBAJW-ZWKOTPCHSA-N 2 2 338.540 1.590 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000367027534 446472689 /nfs/dbraw/zinc/47/26/89/446472689.db2.gz FXVUZORZWQBAJW-ZWKOTPCHSA-N 2 2 338.540 1.590 20 0 EDADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423286352 446472868 /nfs/dbraw/zinc/47/28/68/446472868.db2.gz GRPUPNDTVJMTFE-CYBMUJFWSA-N 2 2 341.477 1.095 20 0 EDADLP CN(C(=O)c1ccc2nccn2c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370842369 446475213 /nfs/dbraw/zinc/47/52/13/446475213.db2.gz PKAYRZCHXACWNS-QGZVFWFLSA-N 2 2 341.459 1.575 20 0 EDADLP CN(C(=O)c1ccc2nccn2c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370842369 446475216 /nfs/dbraw/zinc/47/52/16/446475216.db2.gz PKAYRZCHXACWNS-QGZVFWFLSA-N 2 2 341.459 1.575 20 0 EDADLP [NH3+][C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCC1)c1cscn1 ZINC000423343253 446496311 /nfs/dbraw/zinc/49/63/11/446496311.db2.gz ZPTWFPISQGKXHI-CYBMUJFWSA-N 2 2 340.518 1.621 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](C)C2CC([NH3+])C2)c(C)c1 ZINC000420325889 446492833 /nfs/dbraw/zinc/49/28/33/446492833.db2.gz DLIUGKGBQJKPJH-UHFFFAOYSA-N 2 2 332.448 1.088 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+](C)C2CC([NH3+])C2)c(C)c1 ZINC000420325889 446492840 /nfs/dbraw/zinc/49/28/40/446492840.db2.gz DLIUGKGBQJKPJH-UHFFFAOYSA-N 2 2 332.448 1.088 20 0 EDADLP CC[NH+](CC)CCCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000376449886 446503643 /nfs/dbraw/zinc/50/36/43/446503643.db2.gz RVXIXSJAAZTIRT-KRWDZBQOSA-N 2 2 325.497 1.868 20 0 EDADLP CC[NH+](CC)CCCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000376449886 446503650 /nfs/dbraw/zinc/50/36/50/446503650.db2.gz RVXIXSJAAZTIRT-KRWDZBQOSA-N 2 2 325.497 1.868 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NC[C@@H](C)C[NH2+]C)CC2)cc1 ZINC000418366279 446516257 /nfs/dbraw/zinc/51/62/57/446516257.db2.gz FMEYQWBDTPSVJZ-INIZCTEOSA-N 2 2 348.491 1.768 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cn1 ZINC000375008711 446508970 /nfs/dbraw/zinc/50/89/70/446508970.db2.gz QUSFGZSNDOYLFG-UHFFFAOYSA-N 2 2 336.399 1.654 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)no1 ZINC000376482685 446524470 /nfs/dbraw/zinc/52/44/70/446524470.db2.gz CMWCDUGKJVNBOD-CQSZACIVSA-N 2 2 329.404 2.059 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)no1 ZINC000376482685 446524474 /nfs/dbraw/zinc/52/44/74/446524474.db2.gz CMWCDUGKJVNBOD-CQSZACIVSA-N 2 2 329.404 2.059 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000420363295 446542865 /nfs/dbraw/zinc/54/28/65/446542865.db2.gz JIUDRAQVBSWHII-KOFHJDLBSA-N 2 2 332.448 1.948 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000420363679 446544973 /nfs/dbraw/zinc/54/49/73/446544973.db2.gz PTTUGPCTTYBSBD-GOSISDBHSA-N 2 2 333.476 1.987 20 0 EDADLP COc1cccc(OCC[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000370966489 446546243 /nfs/dbraw/zinc/54/62/43/446546243.db2.gz TUOABPTYENMKPA-LJQANCHMSA-N 2 2 349.475 1.022 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000418455675 446548856 /nfs/dbraw/zinc/54/88/56/446548856.db2.gz BZCUYFKGTXHWMG-CABCVRRESA-N 2 2 334.468 1.210 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000418455675 446548862 /nfs/dbraw/zinc/54/88/62/446548862.db2.gz BZCUYFKGTXHWMG-CABCVRRESA-N 2 2 334.468 1.210 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000420372042 446550206 /nfs/dbraw/zinc/55/02/06/446550206.db2.gz XQONZUHHPCTJMP-HZPDHXFCSA-N 2 2 337.439 1.689 20 0 EDADLP C[NH2+]CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000420378433 446555600 /nfs/dbraw/zinc/55/56/00/446555600.db2.gz UIEMJCBWYQIZTK-UHFFFAOYSA-N 2 2 341.477 1.001 20 0 EDADLP C[NH2+]CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000420378433 446555604 /nfs/dbraw/zinc/55/56/04/446555604.db2.gz UIEMJCBWYQIZTK-UHFFFAOYSA-N 2 2 341.477 1.001 20 0 EDADLP CC(C)c1nnc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)n1C ZINC000367677712 446572991 /nfs/dbraw/zinc/57/29/91/446572991.db2.gz GRMRBURZGRCBHF-INIZCTEOSA-N 2 2 334.512 1.398 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCCOc1ccccc1 ZINC000420398581 446573007 /nfs/dbraw/zinc/57/30/07/446573007.db2.gz NGOKAUYUWWLCKY-WMZOPIPTSA-N 2 2 331.460 1.646 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCCOc1ccccc1 ZINC000420398581 446573017 /nfs/dbraw/zinc/57/30/17/446573017.db2.gz NGOKAUYUWWLCKY-WMZOPIPTSA-N 2 2 331.460 1.646 20 0 EDADLP C[C@H]1CCN(C(=O)C[NH+]2CCC(O)(C[NH3+])CC2)c2ccccc2S1 ZINC000420403989 446576864 /nfs/dbraw/zinc/57/68/64/446576864.db2.gz LXZJFRAAMHMOQV-AWEZNQCLSA-N 2 2 349.500 1.690 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCC[NH3+])CC2)c1 ZINC000418516986 446577157 /nfs/dbraw/zinc/57/71/57/446577157.db2.gz YHWNGLWGKFQSGZ-HNNXBMFYSA-N 2 2 334.464 1.822 20 0 EDADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000423715237 446654970 /nfs/dbraw/zinc/65/49/70/446654970.db2.gz UHRSPWBMTZAXCS-MAUKXSAKSA-N 2 2 333.863 1.984 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423725970 446662341 /nfs/dbraw/zinc/66/23/41/446662341.db2.gz JDMAALVNYPAGAJ-MQVJKMGUSA-N 2 2 337.464 1.005 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423725970 446662345 /nfs/dbraw/zinc/66/23/45/446662345.db2.gz JDMAALVNYPAGAJ-MQVJKMGUSA-N 2 2 337.464 1.005 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)C1 ZINC000376652802 446629686 /nfs/dbraw/zinc/62/96/86/446629686.db2.gz RTCSQLMAWGQFGQ-JKSUJKDBSA-N 2 2 328.416 1.267 20 0 EDADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CSC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000423811190 446701248 /nfs/dbraw/zinc/70/12/48/446701248.db2.gz BUVHARMXMPNMOD-GVDBMIGSSA-N 2 2 347.484 1.752 20 0 EDADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CSC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000423811190 446701249 /nfs/dbraw/zinc/70/12/49/446701249.db2.gz BUVHARMXMPNMOD-GVDBMIGSSA-N 2 2 347.484 1.752 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000423751178 446682362 /nfs/dbraw/zinc/68/23/62/446682362.db2.gz YJSODKOHRGXYNZ-HZPDHXFCSA-N 2 2 333.480 1.362 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)[C@H]1CSC[NH2+]1 ZINC000423919405 446768130 /nfs/dbraw/zinc/76/81/30/446768130.db2.gz QILSQULZZOJAFO-SGMGOOAPSA-N 2 2 343.493 1.781 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)[C@H]1CSC[NH2+]1 ZINC000423919405 446768137 /nfs/dbraw/zinc/76/81/37/446768137.db2.gz QILSQULZZOJAFO-SGMGOOAPSA-N 2 2 343.493 1.781 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000423922987 446771711 /nfs/dbraw/zinc/77/17/11/446771711.db2.gz WSACEQVACUTRQA-KKUMJFAQSA-N 2 2 340.443 1.551 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000423922987 446771715 /nfs/dbraw/zinc/77/17/15/446771715.db2.gz WSACEQVACUTRQA-KKUMJFAQSA-N 2 2 340.443 1.551 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000376886522 446777913 /nfs/dbraw/zinc/77/79/13/446777913.db2.gz HGWFCFDIUVNYJO-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000376886522 446777919 /nfs/dbraw/zinc/77/79/19/446777919.db2.gz HGWFCFDIUVNYJO-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000376886522 446777923 /nfs/dbraw/zinc/77/79/23/446777923.db2.gz HGWFCFDIUVNYJO-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000376886522 446777929 /nfs/dbraw/zinc/77/79/29/446777929.db2.gz HGWFCFDIUVNYJO-FUHWJXTLSA-N 2 2 337.508 1.963 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000423937117 446787404 /nfs/dbraw/zinc/78/74/04/446787404.db2.gz FAQIZCGZSWSVPV-IRXDYDNUSA-N 2 2 325.497 1.757 20 0 EDADLP C[N@H+](CCCCNC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000454138869 446789722 /nfs/dbraw/zinc/78/97/22/446789722.db2.gz AQLNQFGBHOEPQH-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+](CCCCNC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000454138869 446789726 /nfs/dbraw/zinc/78/97/26/446789726.db2.gz AQLNQFGBHOEPQH-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371345699 446794152 /nfs/dbraw/zinc/79/41/52/446794152.db2.gz WVBAJXNNYGHDJD-HLLBOEOZSA-N 2 2 343.475 1.832 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371345699 446794157 /nfs/dbraw/zinc/79/41/57/446794157.db2.gz WVBAJXNNYGHDJD-HLLBOEOZSA-N 2 2 343.475 1.832 20 0 EDADLP CCO[C@@H](C)c1noc(CN2CCC[N@H+](CCn3cc[nH+]c3)CC2)n1 ZINC000371386119 446825226 /nfs/dbraw/zinc/82/52/26/446825226.db2.gz WVOLSSBRCMCRCF-HNNXBMFYSA-N 2 2 348.451 1.572 20 0 EDADLP CCO[C@@H](C)c1noc(CN2CCC[N@@H+](CCn3cc[nH+]c3)CC2)n1 ZINC000371386119 446825233 /nfs/dbraw/zinc/82/52/33/446825233.db2.gz WVOLSSBRCMCRCF-HNNXBMFYSA-N 2 2 348.451 1.572 20 0 EDADLP CCO[C@H](C)c1noc(CN2CCC[N@H+](CCn3cc[nH+]c3)CC2)n1 ZINC000371386120 446825576 /nfs/dbraw/zinc/82/55/76/446825576.db2.gz WVOLSSBRCMCRCF-OAHLLOKOSA-N 2 2 348.451 1.572 20 0 EDADLP CCO[C@H](C)c1noc(CN2CCC[N@@H+](CCn3cc[nH+]c3)CC2)n1 ZINC000371386120 446825582 /nfs/dbraw/zinc/82/55/82/446825582.db2.gz WVOLSSBRCMCRCF-OAHLLOKOSA-N 2 2 348.451 1.572 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+]1CCCC[C@H]1C ZINC000454252424 446826758 /nfs/dbraw/zinc/82/67/58/446826758.db2.gz DHFIFDLDKVXVQM-QZWWFDLISA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+]2CCO[C@H]1C2)[NH+]1CCCC[C@H]1C ZINC000454252424 446826764 /nfs/dbraw/zinc/82/67/64/446826764.db2.gz DHFIFDLDKVXVQM-QZWWFDLISA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2)[N@H+]1CCCC[C@H]1C ZINC000454252424 446826777 /nfs/dbraw/zinc/82/67/77/446826777.db2.gz DHFIFDLDKVXVQM-QZWWFDLISA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368384607 446827085 /nfs/dbraw/zinc/82/70/85/446827085.db2.gz WUXWXVGTFYGQLA-WBVHZDCISA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368384607 446827090 /nfs/dbraw/zinc/82/70/90/446827090.db2.gz WUXWXVGTFYGQLA-WBVHZDCISA-N 3 2 339.528 1.137 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCOC(=O)NC(N)=O ZINC000371396234 446830995 /nfs/dbraw/zinc/83/09/95/446830995.db2.gz IPYLGJLZYZAWJW-ZDUSSCGKSA-N 2 2 337.424 1.666 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCOC(=O)NC(N)=O ZINC000371396234 446830998 /nfs/dbraw/zinc/83/09/98/446830998.db2.gz IPYLGJLZYZAWJW-ZDUSSCGKSA-N 2 2 337.424 1.666 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371423297 446844966 /nfs/dbraw/zinc/84/49/66/446844966.db2.gz JBCJFUKOWRZEPJ-DLBZAZTESA-N 2 2 325.497 1.678 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371423297 446844971 /nfs/dbraw/zinc/84/49/71/446844971.db2.gz JBCJFUKOWRZEPJ-DLBZAZTESA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000376933338 446805114 /nfs/dbraw/zinc/80/51/14/446805114.db2.gz PTROCLUXLQUTGD-BBWFWOEESA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000376933338 446805117 /nfs/dbraw/zinc/80/51/17/446805117.db2.gz PTROCLUXLQUTGD-BBWFWOEESA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000376933338 446805122 /nfs/dbraw/zinc/80/51/22/446805122.db2.gz PTROCLUXLQUTGD-BBWFWOEESA-N 2 2 341.496 1.055 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000376933338 446805124 /nfs/dbraw/zinc/80/51/24/446805124.db2.gz PTROCLUXLQUTGD-BBWFWOEESA-N 2 2 341.496 1.055 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000419003129 446859546 /nfs/dbraw/zinc/85/95/46/446859546.db2.gz MWSPFAAQPMGROP-HZPDHXFCSA-N 2 2 346.475 1.215 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000419003129 446859550 /nfs/dbraw/zinc/85/95/50/446859550.db2.gz MWSPFAAQPMGROP-HZPDHXFCSA-N 2 2 346.475 1.215 20 0 EDADLP Cc1ccc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000371470257 446875694 /nfs/dbraw/zinc/87/56/94/446875694.db2.gz KEHVFKYHHAQZGG-INIZCTEOSA-N 2 2 330.476 1.559 20 0 EDADLP O=C1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1C1CC1 ZINC000420918623 446888201 /nfs/dbraw/zinc/88/82/01/446888201.db2.gz WSJDYEHWQKLZBS-UHFFFAOYSA-N 2 2 329.444 1.325 20 0 EDADLP O=C1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1C1CC1 ZINC000420918623 446888206 /nfs/dbraw/zinc/88/82/06/446888206.db2.gz WSJDYEHWQKLZBS-UHFFFAOYSA-N 2 2 329.444 1.325 20 0 EDADLP CN(C(=O)NCC1=CCCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377082343 446908619 /nfs/dbraw/zinc/90/86/19/446908619.db2.gz WAZHWQOJXQPNJI-KRWDZBQOSA-N 2 2 336.480 1.143 20 0 EDADLP CN(C(=O)NCC1=CCCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377082343 446908633 /nfs/dbraw/zinc/90/86/33/446908633.db2.gz WAZHWQOJXQPNJI-KRWDZBQOSA-N 2 2 336.480 1.143 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420960889 446932107 /nfs/dbraw/zinc/93/21/07/446932107.db2.gz HPUTXRTZKWXGCS-QZTJIDSGSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420960889 446932111 /nfs/dbraw/zinc/93/21/11/446932111.db2.gz HPUTXRTZKWXGCS-QZTJIDSGSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)CN1CCO ZINC000420960889 446932117 /nfs/dbraw/zinc/93/21/17/446932117.db2.gz HPUTXRTZKWXGCS-QZTJIDSGSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)CN1CCO ZINC000420960889 446932119 /nfs/dbraw/zinc/93/21/19/446932119.db2.gz HPUTXRTZKWXGCS-QZTJIDSGSA-N 2 2 347.503 1.406 20 0 EDADLP COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420965050 446935133 /nfs/dbraw/zinc/93/51/33/446935133.db2.gz ORXKBLDQHHGDQI-OALUTQOASA-N 2 2 334.460 1.755 20 0 EDADLP COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420965050 446935137 /nfs/dbraw/zinc/93/51/37/446935137.db2.gz ORXKBLDQHHGDQI-OALUTQOASA-N 2 2 334.460 1.755 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000442767530 446958849 /nfs/dbraw/zinc/95/88/49/446958849.db2.gz RCIZKVUJJMQWPR-WDEREUQCSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1Cl ZINC000442767530 446958855 /nfs/dbraw/zinc/95/88/55/446958855.db2.gz RCIZKVUJJMQWPR-WDEREUQCSA-N 2 2 341.839 1.965 20 0 EDADLP CCCCNC(=O)[C@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986090 446963289 /nfs/dbraw/zinc/96/32/89/446963289.db2.gz XSEFUVPCNSIRDE-KRWDZBQOSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCNC(=O)[C@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986090 446963295 /nfs/dbraw/zinc/96/32/95/446963295.db2.gz XSEFUVPCNSIRDE-KRWDZBQOSA-N 2 2 338.540 1.783 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000413119061 447013792 /nfs/dbraw/zinc/01/37/92/447013792.db2.gz MQIASCSNSJRTDE-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000413119061 447013795 /nfs/dbraw/zinc/01/37/95/447013795.db2.gz MQIASCSNSJRTDE-QGZVFWFLSA-N 2 2 327.432 1.825 20 0 EDADLP C[C@@H]1COCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368618179 446984032 /nfs/dbraw/zinc/98/40/32/446984032.db2.gz JNVQLSYYAZDWSC-PMPSAXMXSA-N 2 2 338.496 1.127 20 0 EDADLP C[C@@H]1COCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368618179 446984036 /nfs/dbraw/zinc/98/40/36/446984036.db2.gz JNVQLSYYAZDWSC-PMPSAXMXSA-N 2 2 338.496 1.127 20 0 EDADLP COc1cccc([C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c2[nH+]ccn2C)c1 ZINC000375703993 446987326 /nfs/dbraw/zinc/98/73/26/446987326.db2.gz KNFQERMMDIKXAE-OWCLPIDISA-N 2 2 344.415 1.141 20 0 EDADLP CCc1ccc([C@@H](CNc2cc(NC[C@H](C)O)[nH+]cn2)[NH+](C)C)cc1 ZINC000413023906 446987491 /nfs/dbraw/zinc/98/74/91/446987491.db2.gz CFIIQYRTXIJXGZ-WMLDXEAASA-N 2 2 343.475 2.547 20 0 EDADLP CN(C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454868047 446990631 /nfs/dbraw/zinc/99/06/31/446990631.db2.gz DOIGGVQAJOJMPU-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP CN(C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000454868047 446990640 /nfs/dbraw/zinc/99/06/40/446990640.db2.gz DOIGGVQAJOJMPU-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP CN(C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454868047 446990645 /nfs/dbraw/zinc/99/06/45/446990645.db2.gz DOIGGVQAJOJMPU-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000368636711 446995657 /nfs/dbraw/zinc/99/56/57/446995657.db2.gz VWBYZLJCBYCQPK-LUKYLMHMSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000368636711 446995661 /nfs/dbraw/zinc/99/56/61/446995661.db2.gz VWBYZLJCBYCQPK-LUKYLMHMSA-N 2 2 338.496 1.079 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000377214394 446998027 /nfs/dbraw/zinc/99/80/27/446998027.db2.gz URVKWLMQNYHDQW-QGZVFWFLSA-N 2 2 332.448 1.148 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000377214394 446998031 /nfs/dbraw/zinc/99/80/31/446998031.db2.gz URVKWLMQNYHDQW-QGZVFWFLSA-N 2 2 332.448 1.148 20 0 EDADLP Cc1n[nH]cc1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000372103048 447003706 /nfs/dbraw/zinc/00/37/06/447003706.db2.gz QDNUSCNJCDBCLE-UHFFFAOYSA-N 2 2 348.495 1.468 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000368698499 447047978 /nfs/dbraw/zinc/04/79/78/447047978.db2.gz OCYXKIHFSMAFKJ-CRAIPNDOSA-N 2 2 337.464 1.051 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000443422762 447049263 /nfs/dbraw/zinc/04/92/63/447049263.db2.gz NWZZIWWWTWYXCL-KRWDZBQOSA-N 2 2 346.523 2.152 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000443422762 447049272 /nfs/dbraw/zinc/04/92/72/447049272.db2.gz NWZZIWWWTWYXCL-KRWDZBQOSA-N 2 2 346.523 2.152 20 0 EDADLP Cc1noc(CCCC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000377260485 447026426 /nfs/dbraw/zinc/02/64/26/447026426.db2.gz YUOSCVOHEDUTRY-AWEZNQCLSA-N 2 2 349.479 1.328 20 0 EDADLP Cc1noc(CCCC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000377260485 447026433 /nfs/dbraw/zinc/02/64/33/447026433.db2.gz YUOSCVOHEDUTRY-AWEZNQCLSA-N 2 2 349.479 1.328 20 0 EDADLP CN(C)c1[nH+]cc(CN(C)C2CC[NH+](CCn3cccn3)CC2)n1C ZINC000425334133 447122164 /nfs/dbraw/zinc/12/21/64/447122164.db2.gz GLEBEWSDYCQUGR-UHFFFAOYSA-N 2 2 345.495 1.279 20 0 EDADLP CN(C(=O)NC(C1CC1)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372487422 447083115 /nfs/dbraw/zinc/08/31/15/447083115.db2.gz PDKOHYAZZSWPFD-KRWDZBQOSA-N 2 2 334.508 1.985 20 0 EDADLP CN(C(=O)NC(C1CC1)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372487422 447083122 /nfs/dbraw/zinc/08/31/22/447083122.db2.gz PDKOHYAZZSWPFD-KRWDZBQOSA-N 2 2 334.508 1.985 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000377359995 447087944 /nfs/dbraw/zinc/08/79/44/447087944.db2.gz NLVIAIGDHUMUSO-HZPDHXFCSA-N 2 2 349.479 1.544 20 0 EDADLP CC(C)[C@@H]1CN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC[N@@H+]1C ZINC000413257857 447099830 /nfs/dbraw/zinc/09/98/30/447099830.db2.gz GASWCNDNMUANES-PMPSAXMXSA-N 2 2 333.480 1.460 20 0 EDADLP CC(C)[C@@H]1CN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC[N@H+]1C ZINC000413257857 447099834 /nfs/dbraw/zinc/09/98/34/447099834.db2.gz GASWCNDNMUANES-PMPSAXMXSA-N 2 2 333.480 1.460 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2nn(C)c(C)c2Cl)CC1 ZINC000421326385 447131774 /nfs/dbraw/zinc/13/17/74/447131774.db2.gz NUZRDIBBECIOIH-ZDUSSCGKSA-N 2 2 327.904 1.745 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000421525630 447179398 /nfs/dbraw/zinc/17/93/98/447179398.db2.gz VRKAHEBOJJHOHQ-CYBMUJFWSA-N 2 2 332.448 1.163 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc(C)[nH+]1 ZINC000421525630 447179401 /nfs/dbraw/zinc/17/94/01/447179401.db2.gz VRKAHEBOJJHOHQ-CYBMUJFWSA-N 2 2 332.448 1.163 20 0 EDADLP COCC(COC)[NH+]1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000413480983 447195004 /nfs/dbraw/zinc/19/50/04/447195004.db2.gz VZSZXKWUNFIOMT-UHFFFAOYSA-N 2 2 349.479 1.250 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000377551724 447198482 /nfs/dbraw/zinc/19/84/82/447198482.db2.gz ZWCMVUSBWHYPHA-AWEZNQCLSA-N 2 2 330.388 1.913 20 0 EDADLP NC(=O)C[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000377603678 447237614 /nfs/dbraw/zinc/23/76/14/447237614.db2.gz PRCWWZHPCGRAEZ-QGZVFWFLSA-N 2 2 330.476 1.396 20 0 EDADLP NC(=O)C[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000377603678 447237621 /nfs/dbraw/zinc/23/76/21/447237621.db2.gz PRCWWZHPCGRAEZ-QGZVFWFLSA-N 2 2 330.476 1.396 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000372712191 447239499 /nfs/dbraw/zinc/23/94/99/447239499.db2.gz FLLLRSXEPNGHTP-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000372712191 447239506 /nfs/dbraw/zinc/23/95/06/447239506.db2.gz FLLLRSXEPNGHTP-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cnc4cnccn34)C2)CC1 ZINC000377630041 447255717 /nfs/dbraw/zinc/25/57/17/447255717.db2.gz RYPBQUQKGFEAQU-MRXNPFEDSA-N 2 2 328.464 1.189 20 0 EDADLP CC(=O)NC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000377610220 447242289 /nfs/dbraw/zinc/24/22/89/447242289.db2.gz VSLNVFWYQASTRF-HXUWFJFHSA-N 2 2 345.487 1.878 20 0 EDADLP CC(=O)NC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000377610220 447242294 /nfs/dbraw/zinc/24/22/94/447242294.db2.gz VSLNVFWYQASTRF-HXUWFJFHSA-N 2 2 345.487 1.878 20 0 EDADLP COc1cc2[nH+]c(N3CCC[N@@H+]4CCC[C@@H]4C3)nc(N)c2cc1OC ZINC000377638336 447264011 /nfs/dbraw/zinc/26/40/11/447264011.db2.gz BUPAZOKKOYFQMQ-GFCCVEGCSA-N 2 2 343.431 1.904 20 0 EDADLP COc1cc2[nH+]c(N3CCC[N@H+]4CCC[C@@H]4C3)nc(N)c2cc1OC ZINC000377638336 447264015 /nfs/dbraw/zinc/26/40/15/447264015.db2.gz BUPAZOKKOYFQMQ-GFCCVEGCSA-N 2 2 343.431 1.904 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000372751351 447267055 /nfs/dbraw/zinc/26/70/55/447267055.db2.gz KXKVPMLIMBHHDY-UHFFFAOYSA-N 2 2 344.463 1.728 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccccc3CO)CC2)CC1 ZINC000369033923 447279297 /nfs/dbraw/zinc/27/92/97/447279297.db2.gz APWVTUGVSZRESZ-UHFFFAOYSA-N 2 2 331.460 1.132 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000372818576 447300649 /nfs/dbraw/zinc/30/06/49/447300649.db2.gz AQTVVZDJWDDHMO-HOTGVXAUSA-N 2 2 347.463 1.200 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000372818576 447300653 /nfs/dbraw/zinc/30/06/53/447300653.db2.gz AQTVVZDJWDDHMO-HOTGVXAUSA-N 2 2 347.463 1.200 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000458722792 447461249 /nfs/dbraw/zinc/46/12/49/447461249.db2.gz OHGRCTVJAKOVON-CABCVRRESA-N 2 2 337.468 1.764 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000458722792 447461256 /nfs/dbraw/zinc/46/12/56/447461256.db2.gz OHGRCTVJAKOVON-CABCVRRESA-N 2 2 337.468 1.764 20 0 EDADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390718403 447496642 /nfs/dbraw/zinc/49/66/42/447496642.db2.gz YSERPZXXUMCGHT-MOPGFXCFSA-N 3 2 335.492 1.621 20 0 EDADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390718403 447496647 /nfs/dbraw/zinc/49/66/47/447496647.db2.gz YSERPZXXUMCGHT-MOPGFXCFSA-N 3 2 335.492 1.621 20 0 EDADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000392688602 447524925 /nfs/dbraw/zinc/52/49/25/447524925.db2.gz XDJNGIRKSALNDG-CVEARBPZSA-N 2 2 332.448 1.442 20 0 EDADLP COCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400320137 447572456 /nfs/dbraw/zinc/57/24/56/447572456.db2.gz BLAVKNKATFVKBY-HUUCEWRRSA-N 2 2 329.485 1.800 20 0 EDADLP COCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400320137 447572457 /nfs/dbraw/zinc/57/24/57/447572457.db2.gz BLAVKNKATFVKBY-HUUCEWRRSA-N 2 2 329.485 1.800 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405341679 447610155 /nfs/dbraw/zinc/61/01/55/447610155.db2.gz NHWHHWAQNUUJOT-IUODEOHRSA-N 2 2 325.840 1.883 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405341679 447610159 /nfs/dbraw/zinc/61/01/59/447610159.db2.gz NHWHHWAQNUUJOT-IUODEOHRSA-N 2 2 325.840 1.883 20 0 EDADLP [NH3+]C1(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CCC1 ZINC000416887021 447701375 /nfs/dbraw/zinc/70/13/75/447701375.db2.gz HOTPVMJZCYASQO-MRXNPFEDSA-N 2 2 332.448 1.241 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC000459570750 447709604 /nfs/dbraw/zinc/70/96/04/447709604.db2.gz NQRGGGGAGWKISQ-HKUYNNGSSA-N 2 2 347.503 1.848 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)CCO1 ZINC000459570750 447709605 /nfs/dbraw/zinc/70/96/05/447709605.db2.gz NQRGGGGAGWKISQ-HKUYNNGSSA-N 2 2 347.503 1.848 20 0 EDADLP C[C@H]([NH2+]CCN1C(=O)N[C@@H](C)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000459399087 447653452 /nfs/dbraw/zinc/65/34/52/447653452.db2.gz BCTSYPPXRWANDF-STQMWFEESA-N 2 2 327.388 1.463 20 0 EDADLP CC[NH2+]CC1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000420216973 447674321 /nfs/dbraw/zinc/67/43/21/447674321.db2.gz UUCDWCWQXNNAOG-INIZCTEOSA-N 2 2 333.480 1.654 20 0 EDADLP CC[NH2+]CC1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000420216973 447674325 /nfs/dbraw/zinc/67/43/25/447674325.db2.gz UUCDWCWQXNNAOG-INIZCTEOSA-N 2 2 333.480 1.654 20 0 EDADLP COCC1(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC[NH2+]CC1 ZINC000420240435 447683576 /nfs/dbraw/zinc/68/35/76/447683576.db2.gz LZMYRXPMXADBRX-HUUCEWRRSA-N 2 2 349.479 1.112 20 0 EDADLP COCC1(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC[NH2+]CC1 ZINC000420240435 447683583 /nfs/dbraw/zinc/68/35/83/447683583.db2.gz LZMYRXPMXADBRX-HUUCEWRRSA-N 2 2 349.479 1.112 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422642344 447686443 /nfs/dbraw/zinc/68/64/43/447686443.db2.gz ZIGXCAWKWUCKFS-KFWWJZLASA-N 2 2 340.489 1.774 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000422642344 447686448 /nfs/dbraw/zinc/68/64/48/447686448.db2.gz ZIGXCAWKWUCKFS-KFWWJZLASA-N 2 2 340.489 1.774 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@](C)(F)C2)C1 ZINC000451123366 447691303 /nfs/dbraw/zinc/69/13/03/447691303.db2.gz VGQPGRUFBZYGKH-WBVHZDCISA-N 2 2 329.460 1.283 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@](C)(F)C2)C1 ZINC000451123366 447691307 /nfs/dbraw/zinc/69/13/07/447691307.db2.gz VGQPGRUFBZYGKH-WBVHZDCISA-N 2 2 329.460 1.283 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000451123366 447691310 /nfs/dbraw/zinc/69/13/10/447691310.db2.gz VGQPGRUFBZYGKH-WBVHZDCISA-N 2 2 329.460 1.283 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000451123366 447691314 /nfs/dbraw/zinc/69/13/14/447691314.db2.gz VGQPGRUFBZYGKH-WBVHZDCISA-N 2 2 329.460 1.283 20 0 EDADLP C[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000422716469 447726969 /nfs/dbraw/zinc/72/69/69/447726969.db2.gz NEXOSPLDLAKXNC-YZGWKJHDSA-N 3 2 330.520 1.953 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416958479 447727904 /nfs/dbraw/zinc/72/79/04/447727904.db2.gz PBMXAPGNTWIPIB-UHFFFAOYSA-N 2 2 341.459 1.915 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000422729028 447730660 /nfs/dbraw/zinc/73/06/60/447730660.db2.gz HDYQCCZRPUVGQI-QGZVFWFLSA-N 2 2 334.464 1.178 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000422729028 447730668 /nfs/dbraw/zinc/73/06/68/447730668.db2.gz HDYQCCZRPUVGQI-QGZVFWFLSA-N 2 2 334.464 1.178 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC(C)(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000458307082 447765076 /nfs/dbraw/zinc/76/50/76/447765076.db2.gz GQUXEUCSQZIGLL-LSDHHAIUSA-N 2 2 328.501 1.515 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3(CO)CCSCC3)c2cc1C ZINC000459704762 447744964 /nfs/dbraw/zinc/74/49/64/447744964.db2.gz GETXMWCADSGLLR-OAHLLOKOSA-N 2 2 349.500 1.862 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000458252027 447755311 /nfs/dbraw/zinc/75/53/11/447755311.db2.gz MKCDJUKMUBKPDS-GFCCVEGCSA-N 2 2 347.385 1.977 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000458252027 447755315 /nfs/dbraw/zinc/75/53/15/447755315.db2.gz MKCDJUKMUBKPDS-GFCCVEGCSA-N 2 2 347.385 1.977 20 0 EDADLP CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000459775889 447760920 /nfs/dbraw/zinc/76/09/20/447760920.db2.gz MYLFMDDALUPKIJ-MSOLQXFVSA-N 2 2 347.459 1.614 20 0 EDADLP C[C@@H](NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422823280 447760955 /nfs/dbraw/zinc/76/09/55/447760955.db2.gz DBGILXNVTCAJJF-SJORKVTESA-N 2 2 332.496 1.109 20 0 EDADLP C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422823280 447760959 /nfs/dbraw/zinc/76/09/59/447760959.db2.gz DBGILXNVTCAJJF-SJORKVTESA-N 2 2 332.496 1.109 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)CC[NH2+]CC1 ZINC000422830129 447762851 /nfs/dbraw/zinc/76/28/51/447762851.db2.gz IBEALYVKNSNXIC-HNNXBMFYSA-N 3 2 348.491 1.673 20 0 EDADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843180 447766953 /nfs/dbraw/zinc/76/69/53/447766953.db2.gz HHNKKVKIEUZCHC-OALUTQOASA-N 3 2 331.508 1.843 20 0 EDADLP COc1ccc(-n2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)n2)cc1 ZINC000422951213 447779719 /nfs/dbraw/zinc/77/97/19/447779719.db2.gz ZWPKITDRMWOSOB-MOPGFXCFSA-N 2 2 342.443 1.738 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000422961747 447781636 /nfs/dbraw/zinc/78/16/36/447781636.db2.gz ZUCJADSCYHVZOE-CVEARBPZSA-N 2 2 336.867 1.458 20 0 EDADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000422960607 447781731 /nfs/dbraw/zinc/78/17/31/447781731.db2.gz WYWNIQGHPPQHTL-BDLOOMQFSA-N 2 2 334.464 1.859 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000430969617 447787767 /nfs/dbraw/zinc/78/77/67/447787767.db2.gz GBIKBKMCRGLWGO-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000430969617 447787769 /nfs/dbraw/zinc/78/77/69/447787769.db2.gz GBIKBKMCRGLWGO-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C1 ZINC000430969792 447788717 /nfs/dbraw/zinc/78/87/17/447788717.db2.gz GPLYJZYMEJKIFU-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C1 ZINC000430969792 447788720 /nfs/dbraw/zinc/78/87/20/447788720.db2.gz GPLYJZYMEJKIFU-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP FC(F)(F)c1cccc(OCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000423012934 447790714 /nfs/dbraw/zinc/79/07/14/447790714.db2.gz LONICYHKJQEXBF-SWLSCSKDSA-N 2 2 345.365 1.836 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423031876 447794865 /nfs/dbraw/zinc/79/48/65/447794865.db2.gz LMWIFTYUAPHJOQ-NSISKUIASA-N 3 2 347.503 1.500 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423031876 447794870 /nfs/dbraw/zinc/79/48/70/447794870.db2.gz LMWIFTYUAPHJOQ-NSISKUIASA-N 3 2 347.503 1.500 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CCC[NH2+]1 ZINC000423078440 447800006 /nfs/dbraw/zinc/80/00/06/447800006.db2.gz OKRFPLHLACNIKM-HOTGVXAUSA-N 2 2 326.462 1.073 20 0 EDADLP CCS(=O)(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423095313 447803544 /nfs/dbraw/zinc/80/35/44/447803544.db2.gz DSIKRDHISBDWLZ-IAGOWNOFSA-N 2 2 338.473 1.337 20 0 EDADLP O=C(CNc1cc(NCC2CC2)[nH+]cn1)NCC[NH+]1CCCCCC1 ZINC000431492124 447809826 /nfs/dbraw/zinc/80/98/26/447809826.db2.gz AYVVBGYTXNINBK-UHFFFAOYSA-N 2 2 346.479 1.703 20 0 EDADLP O=C(CNc1cc(NCC2CC2)nc[nH+]1)NCC[NH+]1CCCCCC1 ZINC000431492124 447809830 /nfs/dbraw/zinc/80/98/30/447809830.db2.gz AYVVBGYTXNINBK-UHFFFAOYSA-N 2 2 346.479 1.703 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000496667277 447844829 /nfs/dbraw/zinc/84/48/29/447844829.db2.gz JRBXQCWTBIIAQG-RDTXWAMCSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000496667277 447844830 /nfs/dbraw/zinc/84/48/30/447844830.db2.gz JRBXQCWTBIIAQG-RDTXWAMCSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000569675733 447862953 /nfs/dbraw/zinc/86/29/53/447862953.db2.gz RMSKJKIXTSNWJL-HOCLYGCPSA-N 2 2 331.464 1.869 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1)[NH+](CC)CC ZINC000478990440 447822542 /nfs/dbraw/zinc/82/25/42/447822542.db2.gz QJNCVTYSWAPHJZ-SJORKVTESA-N 2 2 341.496 1.057 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550680029 447895642 /nfs/dbraw/zinc/89/56/42/447895642.db2.gz GQJXSTZHWQPOQV-UUWFMWQGSA-N 2 2 349.500 1.784 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550680029 447895646 /nfs/dbraw/zinc/89/56/46/447895646.db2.gz GQJXSTZHWQPOQV-UUWFMWQGSA-N 2 2 349.500 1.784 20 0 EDADLP CN(C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)[C@@H]1CCCc2ccccc21 ZINC000569826741 447902372 /nfs/dbraw/zinc/90/23/72/447902372.db2.gz NGFFQDJUHFLNLR-FUHWJXTLSA-N 2 2 331.460 1.572 20 0 EDADLP CN(C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)[C@@H]1CCCc2ccccc21 ZINC000569826741 447902374 /nfs/dbraw/zinc/90/23/74/447902374.db2.gz NGFFQDJUHFLNLR-FUHWJXTLSA-N 2 2 331.460 1.572 20 0 EDADLP CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000576043910 447958618 /nfs/dbraw/zinc/95/86/18/447958618.db2.gz BDVDVDXICWCIQV-PKOBYXMFSA-N 2 2 347.503 1.718 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000575861968 447914353 /nfs/dbraw/zinc/91/43/53/447914353.db2.gz PCHVQEMMISQCCV-MZMPZRCHSA-N 2 2 332.444 1.844 20 0 EDADLP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000575861968 447914360 /nfs/dbraw/zinc/91/43/60/447914360.db2.gz PCHVQEMMISQCCV-MZMPZRCHSA-N 2 2 332.444 1.844 20 0 EDADLP Cc1cccn2cc(CC(=O)NCC[N@@H+]3CCOC(C)(C)C3)[nH+]c12 ZINC000524271433 447921433 /nfs/dbraw/zinc/92/14/33/447921433.db2.gz KKMMZDDHSCSZJJ-UHFFFAOYSA-N 2 2 330.432 1.412 20 0 EDADLP Cc1cccn2cc(CC(=O)NCC[N@H+]3CCOC(C)(C)C3)[nH+]c12 ZINC000524271433 447921438 /nfs/dbraw/zinc/92/14/38/447921438.db2.gz KKMMZDDHSCSZJJ-UHFFFAOYSA-N 2 2 330.432 1.412 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)NCCCCn2cc[nH+]c2)CCSC1 ZINC000530651992 447934675 /nfs/dbraw/zinc/93/46/75/447934675.db2.gz KEHCRRQWOROUKR-OAHLLOKOSA-N 2 2 325.482 1.400 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)NCc1c[nH+]c(C)nc1N)c1ccccc1 ZINC000552189141 447939961 /nfs/dbraw/zinc/93/99/61/447939961.db2.gz RXOUICKSGXUNSX-INIZCTEOSA-N 2 2 327.432 2.067 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000570277209 447975602 /nfs/dbraw/zinc/97/56/02/447975602.db2.gz FRAPRZJLMAGHOQ-AWEZNQCLSA-N 2 2 327.432 1.119 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3[C@H](C)CC[NH2+][C@H]3C)C2=O)c1 ZINC000570308817 447985117 /nfs/dbraw/zinc/98/51/17/447985117.db2.gz DXKCZAFATDGHGO-XLQHLMKVSA-N 2 2 347.459 1.785 20 0 EDADLP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCC[NH+]2CCOCC2)C1 ZINC000496875812 447992939 /nfs/dbraw/zinc/99/29/39/447992939.db2.gz OEFRNNWEHVIIKL-YJBOKZPZSA-N 2 2 339.480 1.555 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000570407603 448006226 /nfs/dbraw/zinc/00/62/26/448006226.db2.gz HARVPMCMCIVWPV-UONOGXRCSA-N 2 2 345.399 1.378 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000570407603 448006231 /nfs/dbraw/zinc/00/62/31/448006231.db2.gz HARVPMCMCIVWPV-UONOGXRCSA-N 2 2 345.399 1.378 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000570784213 448063426 /nfs/dbraw/zinc/06/34/26/448063426.db2.gz FSAYLNOGCUAQIT-QGZVFWFLSA-N 2 2 335.427 1.525 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)C[C@@H](C)O1 ZINC000570794272 448065696 /nfs/dbraw/zinc/06/56/96/448065696.db2.gz GVWGKFBHNOSKDV-YKXHTNLXSA-N 2 2 348.487 1.966 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1)C1CC1 ZINC000571159431 448113314 /nfs/dbraw/zinc/11/33/14/448113314.db2.gz LLWMRIHXEOIITL-RHSMWYFYSA-N 2 2 335.448 1.042 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000576967761 448183355 /nfs/dbraw/zinc/18/33/55/448183355.db2.gz VRTKLFZSZDUWBH-MSOLQXFVSA-N 2 2 344.503 1.654 20 0 EDADLP C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H]1n1cc[nH+]c1 ZINC000532091661 448199407 /nfs/dbraw/zinc/19/94/07/448199407.db2.gz AODSCOLPWNYVNK-UKRRQHHQSA-N 2 2 337.387 1.582 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000514795973 448205807 /nfs/dbraw/zinc/20/58/07/448205807.db2.gz KHMVKOMYAQTENI-QGZVFWFLSA-N 2 2 325.497 1.460 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000514795973 448205813 /nfs/dbraw/zinc/20/58/13/448205813.db2.gz KHMVKOMYAQTENI-QGZVFWFLSA-N 2 2 325.497 1.460 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000577073189 448206265 /nfs/dbraw/zinc/20/62/65/448206265.db2.gz MIGLEASDVPVURB-ZIAGYGMSSA-N 2 2 331.254 1.385 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000577073189 448206268 /nfs/dbraw/zinc/20/62/68/448206268.db2.gz MIGLEASDVPVURB-ZIAGYGMSSA-N 2 2 331.254 1.385 20 0 EDADLP COCC1(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC[NH2+]CC1 ZINC000577269907 448252454 /nfs/dbraw/zinc/25/24/54/448252454.db2.gz XKMSJOBFYKZWTP-HZPDHXFCSA-N 2 2 349.479 1.492 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C12CCCC2 ZINC000582527893 448261652 /nfs/dbraw/zinc/26/16/52/448261652.db2.gz VDASKNOLSKISIF-DFBDCSAJSA-N 2 2 340.508 1.784 20 0 EDADLP CC[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C1CCOCC1 ZINC000532499932 448266954 /nfs/dbraw/zinc/26/69/54/448266954.db2.gz HKPZTWIJTMADLC-GOSISDBHSA-N 2 2 327.513 1.171 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(Br)cs3)CCN2C1=O ZINC000572180081 448308944 /nfs/dbraw/zinc/30/89/44/448308944.db2.gz NIKWBHKCIWYIRH-MWLCHTKSSA-N 2 2 330.251 1.254 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(Br)cs3)CCN2C1=O ZINC000572180081 448308945 /nfs/dbraw/zinc/30/89/45/448308945.db2.gz NIKWBHKCIWYIRH-MWLCHTKSSA-N 2 2 330.251 1.254 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(c3nc(NCCO)c4ccccc4[nH+]3)CC[C@H]21 ZINC000564811803 448339631 /nfs/dbraw/zinc/33/96/31/448339631.db2.gz CLRYXLZTLRNUSX-WMLDXEAASA-N 2 2 341.459 1.955 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(c3nc(NCCO)c4ccccc4[nH+]3)CC[C@H]21 ZINC000564811803 448339637 /nfs/dbraw/zinc/33/96/37/448339637.db2.gz CLRYXLZTLRNUSX-WMLDXEAASA-N 2 2 341.459 1.955 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(C(C)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000515620828 448335276 /nfs/dbraw/zinc/33/52/76/448335276.db2.gz KKKSIICOSHBFTA-AWEZNQCLSA-N 2 2 326.391 1.583 20 0 EDADLP COc1ccc[nH+]c1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000527888160 448382995 /nfs/dbraw/zinc/38/29/95/448382995.db2.gz POZDBMCCLXXWSR-UHFFFAOYSA-N 2 2 342.447 1.895 20 0 EDADLP C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000572474150 448387205 /nfs/dbraw/zinc/38/72/05/448387205.db2.gz XLFRAFSQYBEVBQ-QWHCGFSZSA-N 2 2 331.507 1.489 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NC2CC[NH2+]CC2)[NH+]2CCOCC2)c1 ZINC000582953532 448387168 /nfs/dbraw/zinc/38/71/68/448387168.db2.gz KEDQVFMPVIUFDH-SFHVURJKSA-N 2 2 346.475 1.420 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C)CC2 ZINC000572538902 448403944 /nfs/dbraw/zinc/40/39/44/448403944.db2.gz MRSFCDQMKXGAGS-CZUORRHYSA-N 2 2 347.459 1.400 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C)CC2 ZINC000572538902 448403948 /nfs/dbraw/zinc/40/39/48/448403948.db2.gz MRSFCDQMKXGAGS-CZUORRHYSA-N 2 2 347.459 1.400 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC000582901101 448373642 /nfs/dbraw/zinc/37/36/42/448373642.db2.gz NAFGNNIHAZFEEW-KPFFTGBYSA-N 2 2 348.487 1.653 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC000582901101 448373646 /nfs/dbraw/zinc/37/36/46/448373646.db2.gz NAFGNNIHAZFEEW-KPFFTGBYSA-N 2 2 348.487 1.653 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000527861822 448377198 /nfs/dbraw/zinc/37/71/98/448377198.db2.gz DESSZCVVSOYMFX-GOEBONIOSA-N 2 2 331.464 1.904 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000591504798 448380990 /nfs/dbraw/zinc/38/09/90/448380990.db2.gz LRNZPKIHSIRQEC-JYJNAYRXSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000591504798 448380994 /nfs/dbraw/zinc/38/09/94/448380994.db2.gz LRNZPKIHSIRQEC-JYJNAYRXSA-N 2 2 326.485 1.125 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000572614185 448423231 /nfs/dbraw/zinc/42/32/31/448423231.db2.gz YYOPONCSHRDQSA-QAPCUYQASA-N 2 2 349.475 1.296 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000572614185 448423234 /nfs/dbraw/zinc/42/32/34/448423234.db2.gz YYOPONCSHRDQSA-QAPCUYQASA-N 2 2 349.475 1.296 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000572614185 448423238 /nfs/dbraw/zinc/42/32/38/448423238.db2.gz YYOPONCSHRDQSA-QAPCUYQASA-N 2 2 349.475 1.296 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000572614185 448423242 /nfs/dbraw/zinc/42/32/42/448423242.db2.gz YYOPONCSHRDQSA-QAPCUYQASA-N 2 2 349.475 1.296 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+]1CC(C)C1 ZINC000516876115 448487597 /nfs/dbraw/zinc/48/75/97/448487597.db2.gz NKIFPTIBKWOYNJ-OAHLLOKOSA-N 2 2 344.459 1.353 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCN2C1=O ZINC000516980965 448515802 /nfs/dbraw/zinc/51/58/02/448515802.db2.gz FLMOAFUPWQFYNM-UKRRQHHQSA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)CCN2C1=O ZINC000516980965 448515806 /nfs/dbraw/zinc/51/58/06/448515806.db2.gz FLMOAFUPWQFYNM-UKRRQHHQSA-N 2 2 346.818 1.739 20 0 EDADLP CC(C)(CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000517004843 448519833 /nfs/dbraw/zinc/51/98/33/448519833.db2.gz CVFKXFRJVFKZNT-UHFFFAOYSA-N 2 2 348.495 1.359 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(C)c1 ZINC000517030526 448527834 /nfs/dbraw/zinc/52/78/34/448527834.db2.gz PTMHYMWJUBCEFZ-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(C)c1 ZINC000517030526 448527836 /nfs/dbraw/zinc/52/78/36/448527836.db2.gz PTMHYMWJUBCEFZ-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000537953602 448575386 /nfs/dbraw/zinc/57/53/86/448575386.db2.gz ZZTXSYSCNUQAPK-JSGCOSHPSA-N 2 2 343.518 1.441 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000537953602 448575391 /nfs/dbraw/zinc/57/53/91/448575391.db2.gz ZZTXSYSCNUQAPK-JSGCOSHPSA-N 2 2 343.518 1.441 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000537980541 448576297 /nfs/dbraw/zinc/57/62/97/448576297.db2.gz CAFDKNHFXLNGMR-ATZDWAIDSA-N 2 2 333.476 1.669 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)C1CCOCC1 ZINC000537980541 448576304 /nfs/dbraw/zinc/57/63/04/448576304.db2.gz CAFDKNHFXLNGMR-ATZDWAIDSA-N 2 2 333.476 1.669 20 0 EDADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000573098177 448543682 /nfs/dbraw/zinc/54/36/82/448543682.db2.gz GVPQBUOMFXHBPN-MJGOQNOKSA-N 2 2 341.459 1.986 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)ccn12 ZINC000517757424 448617025 /nfs/dbraw/zinc/61/70/25/448617025.db2.gz QSDRXLRXXGAHOW-MRXNPFEDSA-N 2 2 328.416 1.580 20 0 EDADLP F[C@@]1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC[NH2+]C1 ZINC000578625825 448597415 /nfs/dbraw/zinc/59/74/15/448597415.db2.gz OATUHJUXALMQJK-KRWDZBQOSA-N 2 2 332.379 1.727 20 0 EDADLP [NH3+]C1CCC(OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000519391371 448764985 /nfs/dbraw/zinc/76/49/85/448764985.db2.gz BNJIAUXBARTYGC-UHFFFAOYSA-N 2 2 337.489 1.679 20 0 EDADLP c1cc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc(N2CCCCC2)[nH+]1 ZINC000544704952 448766172 /nfs/dbraw/zinc/76/61/72/448766172.db2.gz VUPSCNWDJJVVFN-DLBZAZTESA-N 2 2 345.491 2.522 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000518946983 448723762 /nfs/dbraw/zinc/72/37/62/448723762.db2.gz BUJWKDMGLIIJRD-FXAWDEMLSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000518946983 448723767 /nfs/dbraw/zinc/72/37/67/448723767.db2.gz BUJWKDMGLIIJRD-FXAWDEMLSA-N 2 2 345.487 1.954 20 0 EDADLP CSCC1CCC([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000573834901 448725498 /nfs/dbraw/zinc/72/54/98/448725498.db2.gz GVRDTMBMKPIRIO-UCMFOZJVSA-N 2 2 330.538 1.968 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000573906138 448740921 /nfs/dbraw/zinc/74/09/21/448740921.db2.gz ZHVBCWIBHUJCTN-WBVHZDCISA-N 2 2 331.464 1.297 20 0 EDADLP O=C(CC[NH2+]C[C@@H]1CCCC[N@H+]1CCO)Nc1cc(F)cc(F)c1 ZINC000579231706 448748196 /nfs/dbraw/zinc/74/81/96/448748196.db2.gz QDVCEGWUIGVILC-INIZCTEOSA-N 2 2 341.402 1.730 20 0 EDADLP O=C(CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)Nc1cc(F)cc(F)c1 ZINC000579231706 448748201 /nfs/dbraw/zinc/74/82/01/448748201.db2.gz QDVCEGWUIGVILC-INIZCTEOSA-N 2 2 341.402 1.730 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000579332210 448768122 /nfs/dbraw/zinc/76/81/22/448768122.db2.gz ZABINIQJEKQGEA-HNNXBMFYSA-N 2 2 338.883 1.902 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n[nH]1 ZINC000579483454 448806813 /nfs/dbraw/zinc/80/68/13/448806813.db2.gz UYLUWYAAGCQTOY-TZMCWYRMSA-N 2 2 342.447 1.696 20 0 EDADLP Cc1nc(-c2ccc(C)cc2NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n[nH]1 ZINC000579483454 448806816 /nfs/dbraw/zinc/80/68/16/448806816.db2.gz UYLUWYAAGCQTOY-TZMCWYRMSA-N 2 2 342.447 1.696 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2C(=O)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000519529262 448778023 /nfs/dbraw/zinc/77/80/23/448778023.db2.gz QEGJEMBYICETLT-AWEZNQCLSA-N 2 2 345.447 1.029 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@H+]3CC=CCC3)ccc2n1C ZINC000574104393 448793490 /nfs/dbraw/zinc/79/34/90/448793490.db2.gz ZGZUEVVMSIUYTR-UHFFFAOYSA-N 2 2 341.415 1.198 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@@H+]3CC=CCC3)ccc2n1C ZINC000574104393 448793496 /nfs/dbraw/zinc/79/34/96/448793496.db2.gz ZGZUEVVMSIUYTR-UHFFFAOYSA-N 2 2 341.415 1.198 20 0 EDADLP O=C(N[C@H]1CCC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000568233768 448839998 /nfs/dbraw/zinc/83/99/98/448839998.db2.gz ADXOLQCXGVMOFO-INIZCTEOSA-N 2 2 332.448 1.145 20 0 EDADLP COc1sc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1Br ZINC000574323275 448844805 /nfs/dbraw/zinc/84/48/05/448844805.db2.gz ZQKSEHSJKIRXGK-SECBINFHSA-N 2 2 334.283 1.594 20 0 EDADLP COc1sc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Br ZINC000574323275 448844809 /nfs/dbraw/zinc/84/48/09/448844809.db2.gz ZQKSEHSJKIRXGK-SECBINFHSA-N 2 2 334.283 1.594 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOc2cccc(C(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000579691315 448854232 /nfs/dbraw/zinc/85/42/32/448854232.db2.gz NVOLNVDAVMOTPV-INIZCTEOSA-N 2 2 348.491 1.647 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2cccc(C(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000579691315 448854237 /nfs/dbraw/zinc/85/42/37/448854237.db2.gz NVOLNVDAVMOTPV-INIZCTEOSA-N 2 2 348.491 1.647 20 0 EDADLP COC(=O)CC1([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000520589890 448914834 /nfs/dbraw/zinc/91/48/34/448914834.db2.gz LEYHMVGUCSJSRQ-KRWDZBQOSA-N 2 2 332.444 1.963 20 0 EDADLP COC(=O)CC1([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000520589890 448914838 /nfs/dbraw/zinc/91/48/38/448914838.db2.gz LEYHMVGUCSJSRQ-KRWDZBQOSA-N 2 2 332.444 1.963 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000568762906 448918414 /nfs/dbraw/zinc/91/84/14/448918414.db2.gz CCFDUBYOIGHLDX-HNNXBMFYSA-N 2 2 346.479 1.310 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000568762906 448918418 /nfs/dbraw/zinc/91/84/18/448918418.db2.gz CCFDUBYOIGHLDX-HNNXBMFYSA-N 2 2 346.479 1.310 20 0 EDADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)nnn3C)CCO1 ZINC000548020954 448967270 /nfs/dbraw/zinc/96/72/70/448967270.db2.gz GZZCUEODFYTJOC-SUMWQHHRSA-N 2 2 326.404 1.712 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC000529837705 448979034 /nfs/dbraw/zinc/97/90/34/448979034.db2.gz VAJCUSGUFPQVDX-HNNXBMFYSA-N 2 2 328.416 1.362 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC000529837705 448979041 /nfs/dbraw/zinc/97/90/41/448979041.db2.gz VAJCUSGUFPQVDX-HNNXBMFYSA-N 2 2 328.416 1.362 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCc2c[nH]c3ccccc23)[C@H](C[NH3+])C1 ZINC000521410955 448982938 /nfs/dbraw/zinc/98/29/38/448982938.db2.gz LYJOJGVNKTWVTN-OAHLLOKOSA-N 2 2 329.448 1.385 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCc2c[nH]c3ccccc23)[C@H](C[NH3+])C1 ZINC000521410955 448982944 /nfs/dbraw/zinc/98/29/44/448982944.db2.gz LYJOJGVNKTWVTN-OAHLLOKOSA-N 2 2 329.448 1.385 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000569226468 448984436 /nfs/dbraw/zinc/98/44/36/448984436.db2.gz UNLXEVUHYMDSDG-UHFFFAOYSA-N 3 2 332.492 1.204 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000575121439 449040735 /nfs/dbraw/zinc/04/07/35/449040735.db2.gz PWIFYEFBCCBIGA-GDBMZVCRSA-N 2 2 333.432 1.078 20 0 EDADLP CO[C@@H]1CCOc2c(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cccc21 ZINC000575153616 449051128 /nfs/dbraw/zinc/05/11/28/449051128.db2.gz ORVKTEVZMSJESB-SWLSCSKDSA-N 2 2 334.420 1.263 20 0 EDADLP CO[C@@H]1CCOc2c(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cccc21 ZINC000575153616 449051133 /nfs/dbraw/zinc/05/11/33/449051133.db2.gz ORVKTEVZMSJESB-SWLSCSKDSA-N 2 2 334.420 1.263 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)[C@@H](C[NH3+])C1 ZINC000569602687 449056101 /nfs/dbraw/zinc/05/61/01/449056101.db2.gz KAXGBMSQTRNDEE-HNNXBMFYSA-N 2 2 332.379 1.125 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)[C@@H](C[NH3+])C1 ZINC000569602687 449056107 /nfs/dbraw/zinc/05/61/07/449056107.db2.gz KAXGBMSQTRNDEE-HNNXBMFYSA-N 2 2 332.379 1.125 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccc(O)cc3CC2)CC1 ZINC000590785456 449293596 /nfs/dbraw/zinc/29/35/96/449293596.db2.gz TUMRHQDLUXCPPU-HNNXBMFYSA-N 2 2 331.460 1.345 20 0 EDADLP COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907701 449278355 /nfs/dbraw/zinc/27/83/55/449278355.db2.gz RSYDWDWMTCXBCG-HOCLYGCPSA-N 2 2 335.448 1.103 20 0 EDADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000596064816 449344427 /nfs/dbraw/zinc/34/44/27/449344427.db2.gz AEDTWOUDIPCQCF-JKSUJKDBSA-N 2 2 336.432 1.287 20 0 EDADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C(=O)OC)cc2)C1 ZINC000596064816 449344432 /nfs/dbraw/zinc/34/44/32/449344432.db2.gz AEDTWOUDIPCQCF-JKSUJKDBSA-N 2 2 336.432 1.287 20 0 EDADLP CCOC(=O)c1cnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000596123553 449374110 /nfs/dbraw/zinc/37/41/10/449374110.db2.gz ORJVMZGDIVQNAR-LBPRGKRZSA-N 2 2 338.477 1.900 20 0 EDADLP CCOC(=O)c1cnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000596123553 449374113 /nfs/dbraw/zinc/37/41/13/449374113.db2.gz ORJVMZGDIVQNAR-LBPRGKRZSA-N 2 2 338.477 1.900 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccccc3CO)C2)CC1 ZINC000605969329 449432275 /nfs/dbraw/zinc/43/22/75/449432275.db2.gz ZMZSFVITJRXWPN-KRWDZBQOSA-N 2 2 346.475 1.147 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccccc3CO)C2)CC1 ZINC000605969329 449432281 /nfs/dbraw/zinc/43/22/81/449432281.db2.gz ZMZSFVITJRXWPN-KRWDZBQOSA-N 2 2 346.475 1.147 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112590 449463890 /nfs/dbraw/zinc/46/38/90/449463890.db2.gz BZSAPGWDTQAYRJ-UHFFFAOYSA-N 2 2 334.464 1.671 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000600643608 449468750 /nfs/dbraw/zinc/46/87/50/449468750.db2.gz IAYHFTLDDXPQIE-HOCLYGCPSA-N 2 2 328.420 1.367 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000600643608 449468761 /nfs/dbraw/zinc/46/87/61/449468761.db2.gz IAYHFTLDDXPQIE-HOCLYGCPSA-N 2 2 328.420 1.367 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000599064227 449715864 /nfs/dbraw/zinc/71/58/64/449715864.db2.gz FFJJIYBRICSFOY-JJXSEGSLSA-N 2 2 339.480 1.284 20 0 EDADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C[C@@H]1C ZINC000599064227 449715869 /nfs/dbraw/zinc/71/58/69/449715869.db2.gz FFJJIYBRICSFOY-JJXSEGSLSA-N 2 2 339.480 1.284 20 0 EDADLP CCOC(=O)c1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC000602657956 449735284 /nfs/dbraw/zinc/73/52/84/449735284.db2.gz VJCWHLKFCDCINC-UHFFFAOYSA-N 2 2 338.452 1.309 20 0 EDADLP CCOC(=O)c1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC000602657956 449735292 /nfs/dbraw/zinc/73/52/92/449735292.db2.gz VJCWHLKFCDCINC-UHFFFAOYSA-N 2 2 338.452 1.309 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000601104461 449691788 /nfs/dbraw/zinc/69/17/88/449691788.db2.gz YGRWGKNPYSBDRW-AWEZNQCLSA-N 2 2 332.448 2.177 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000601104461 449691798 /nfs/dbraw/zinc/69/17/98/449691798.db2.gz YGRWGKNPYSBDRW-AWEZNQCLSA-N 2 2 332.448 2.177 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)CC1 ZINC000614662759 449745902 /nfs/dbraw/zinc/74/59/02/449745902.db2.gz HKDYRYUYIZLRJS-HNNXBMFYSA-N 2 2 335.452 1.130 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)CC1 ZINC000614662759 449745906 /nfs/dbraw/zinc/74/59/06/449745906.db2.gz HKDYRYUYIZLRJS-HNNXBMFYSA-N 2 2 335.452 1.130 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)CC1 ZINC000614663582 449746895 /nfs/dbraw/zinc/74/68/95/449746895.db2.gz PDUGCPNBFQWEIX-OAHLLOKOSA-N 2 2 349.479 1.518 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)CC1 ZINC000614663582 449746906 /nfs/dbraw/zinc/74/69/06/449746906.db2.gz PDUGCPNBFQWEIX-OAHLLOKOSA-N 2 2 349.479 1.518 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313672 449804415 /nfs/dbraw/zinc/80/44/15/449804415.db2.gz HBPWHQOFNDPQKN-UHFFFAOYSA-N 3 2 344.463 1.824 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608313672 449804419 /nfs/dbraw/zinc/80/44/19/449804419.db2.gz HBPWHQOFNDPQKN-UHFFFAOYSA-N 3 2 344.463 1.824 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@H](C(=O)OC(C)(C)C)C3CC3)CC2)C1 ZINC000602790184 449810658 /nfs/dbraw/zinc/81/06/58/449810658.db2.gz GUCSQHCQWYDFKF-SJORKVTESA-N 2 2 337.508 1.819 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H](C(=O)OC(C)(C)C)C3CC3)CC2)C1 ZINC000602790184 449810665 /nfs/dbraw/zinc/81/06/65/449810665.db2.gz GUCSQHCQWYDFKF-SJORKVTESA-N 2 2 337.508 1.819 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC[C@H](C)[NH+](C)C)c2)cc[nH+]1 ZINC000617757275 449818896 /nfs/dbraw/zinc/81/88/96/449818896.db2.gz ZSMGZSYEMOSBQZ-AWEZNQCLSA-N 2 2 341.459 2.467 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000617763467 449821830 /nfs/dbraw/zinc/82/18/30/449821830.db2.gz RYQXAAMJKNTBNO-ROUUACIJSA-N 2 2 333.476 1.416 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000617763467 449821836 /nfs/dbraw/zinc/82/18/36/449821836.db2.gz RYQXAAMJKNTBNO-ROUUACIJSA-N 2 2 333.476 1.416 20 0 EDADLP CN(C)c1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000617763511 449822309 /nfs/dbraw/zinc/82/23/09/449822309.db2.gz SSWKEFDHGKLHQU-UHFFFAOYSA-N 2 2 341.887 1.414 20 0 EDADLP CN(C)c1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000617763511 449822312 /nfs/dbraw/zinc/82/23/12/449822312.db2.gz SSWKEFDHGKLHQU-UHFFFAOYSA-N 2 2 341.887 1.414 20 0 EDADLP COc1cccc2c1n[nH]c2C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764215 449824578 /nfs/dbraw/zinc/82/45/78/449824578.db2.gz NEFIZGJXOKZGOI-UHFFFAOYSA-N 2 2 333.436 1.185 20 0 EDADLP COc1cccc2c1n[nH]c2C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764215 449824582 /nfs/dbraw/zinc/82/45/82/449824582.db2.gz NEFIZGJXOKZGOI-UHFFFAOYSA-N 2 2 333.436 1.185 20 0 EDADLP COc1ccc2c(c1)[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC2 ZINC000617764441 449824909 /nfs/dbraw/zinc/82/49/09/449824909.db2.gz XRWVTOAEPPCYNQ-KRWDZBQOSA-N 2 2 333.476 1.725 20 0 EDADLP COc1ccc2c(c1)[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000617764441 449824914 /nfs/dbraw/zinc/82/49/14/449824914.db2.gz XRWVTOAEPPCYNQ-KRWDZBQOSA-N 2 2 333.476 1.725 20 0 EDADLP CO[C@@](C)(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccccc1F ZINC000617765098 449827175 /nfs/dbraw/zinc/82/71/75/449827175.db2.gz TXCWUDJFPMIMDK-GOSISDBHSA-N 2 2 339.455 1.687 20 0 EDADLP CO[C@@](C)(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccccc1F ZINC000617765098 449827178 /nfs/dbraw/zinc/82/71/78/449827178.db2.gz TXCWUDJFPMIMDK-GOSISDBHSA-N 2 2 339.455 1.687 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1OCCc2ccccc21 ZINC000617766639 449828994 /nfs/dbraw/zinc/82/89/94/449828994.db2.gz SOWUPJWFMDIYAC-GOSISDBHSA-N 2 2 333.476 1.690 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1OCCc2ccccc21 ZINC000617766639 449828998 /nfs/dbraw/zinc/82/89/98/449828998.db2.gz SOWUPJWFMDIYAC-GOSISDBHSA-N 2 2 333.476 1.690 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000617766338 449829466 /nfs/dbraw/zinc/82/94/66/449829466.db2.gz GWHNPSOEOCZZGJ-ICSRJNTNSA-N 2 2 329.488 1.890 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000617766338 449829473 /nfs/dbraw/zinc/82/94/73/449829473.db2.gz GWHNPSOEOCZZGJ-ICSRJNTNSA-N 2 2 329.488 1.890 20 0 EDADLP Cc1cnn(-c2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2)c1 ZINC000617767348 449831927 /nfs/dbraw/zinc/83/19/27/449831927.db2.gz QNKIPYIJEXPSAZ-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP Cc1cnn(-c2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2)c1 ZINC000617767348 449831933 /nfs/dbraw/zinc/83/19/33/449831933.db2.gz QNKIPYIJEXPSAZ-UHFFFAOYSA-N 2 2 343.475 1.794 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000617768546 449832684 /nfs/dbraw/zinc/83/26/84/449832684.db2.gz IRDFKNDLOMYHRW-UHFFFAOYSA-N 2 2 330.432 1.554 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000617768546 449832690 /nfs/dbraw/zinc/83/26/90/449832690.db2.gz IRDFKNDLOMYHRW-UHFFFAOYSA-N 2 2 330.432 1.554 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cn1 ZINC000617768043 449833828 /nfs/dbraw/zinc/83/38/28/449833828.db2.gz NECSLLIYDGALTO-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cn1 ZINC000617768043 449833832 /nfs/dbraw/zinc/83/38/32/449833832.db2.gz NECSLLIYDGALTO-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000601327107 449835036 /nfs/dbraw/zinc/83/50/36/449835036.db2.gz ZFFXGNGVKDLHGG-DOTOQJQBSA-N 2 2 348.443 1.597 20 0 EDADLP COC(=O)[C@@H](c1cccc(OC)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000601327107 449835041 /nfs/dbraw/zinc/83/50/41/449835041.db2.gz ZFFXGNGVKDLHGG-DOTOQJQBSA-N 2 2 348.443 1.597 20 0 EDADLP CCN(C#N)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000602775328 449799378 /nfs/dbraw/zinc/79/93/78/449799378.db2.gz HTOBFPHGYUFGLG-UHFFFAOYSA-N 2 2 329.492 1.539 20 0 EDADLP CCN(C#N)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000602775328 449799382 /nfs/dbraw/zinc/79/93/82/449799382.db2.gz HTOBFPHGYUFGLG-UHFFFAOYSA-N 2 2 329.492 1.539 20 0 EDADLP COC(=O)[C@@H](Cc1cccc(OC)c1)[NH2+]CCCc1c[nH+]cn1C ZINC000602947254 449948717 /nfs/dbraw/zinc/94/87/17/449948717.db2.gz WNEPDUVCUFYBDI-QGZVFWFLSA-N 2 2 331.416 1.735 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CC34CC[NH2+]CC4)cn21 ZINC000612995378 449976136 /nfs/dbraw/zinc/97/61/36/449976136.db2.gz LQFMQTSSRYYZHD-OAHLLOKOSA-N 2 2 327.432 1.627 20 0 EDADLP COC(=O)C1(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000609258489 449986611 /nfs/dbraw/zinc/98/66/11/449986611.db2.gz ZNRHKRBLXGAPOA-HNNXBMFYSA-N 2 2 348.447 1.512 20 0 EDADLP COC(=O)C1(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000609258489 449986614 /nfs/dbraw/zinc/98/66/14/449986614.db2.gz ZNRHKRBLXGAPOA-HNNXBMFYSA-N 2 2 348.447 1.512 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)CC1 ZINC000613209415 450081190 /nfs/dbraw/zinc/08/11/90/450081190.db2.gz WNSHVGTUKOIKDF-WBVHZDCISA-N 2 2 345.491 1.517 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)CC1 ZINC000613209415 450081198 /nfs/dbraw/zinc/08/11/98/450081198.db2.gz WNSHVGTUKOIKDF-WBVHZDCISA-N 2 2 345.491 1.517 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000595377203 450091410 /nfs/dbraw/zinc/09/14/10/450091410.db2.gz MDNPZVITNWCXDR-ZIAGYGMSSA-N 2 2 348.447 1.532 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000595377203 450091417 /nfs/dbraw/zinc/09/14/17/450091417.db2.gz MDNPZVITNWCXDR-ZIAGYGMSSA-N 2 2 348.447 1.532 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615548627 450138151 /nfs/dbraw/zinc/13/81/51/450138151.db2.gz UHZDHSRSDOFSAH-QZTJIDSGSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615548627 450138157 /nfs/dbraw/zinc/13/81/57/450138157.db2.gz UHZDHSRSDOFSAH-QZTJIDSGSA-N 2 2 335.492 1.717 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000595561273 450233990 /nfs/dbraw/zinc/23/39/90/450233990.db2.gz DSKQJVCKTHVFAK-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000595561273 450233995 /nfs/dbraw/zinc/23/39/95/450233995.db2.gz DSKQJVCKTHVFAK-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000595561273 450233998 /nfs/dbraw/zinc/23/39/98/450233998.db2.gz DSKQJVCKTHVFAK-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000595561273 450234001 /nfs/dbraw/zinc/23/40/01/450234001.db2.gz DSKQJVCKTHVFAK-OWCLPIDISA-N 2 2 328.497 1.987 20 0 EDADLP CSC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000618834439 450317431 /nfs/dbraw/zinc/31/74/31/450317431.db2.gz NYFSYGYOAAFSLA-HNNXBMFYSA-N 2 2 325.522 1.899 20 0 EDADLP CSC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000618834439 450317436 /nfs/dbraw/zinc/31/74/36/450317436.db2.gz NYFSYGYOAAFSLA-HNNXBMFYSA-N 2 2 325.522 1.899 20 0 EDADLP CSCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613861524 450341465 /nfs/dbraw/zinc/34/14/65/450341465.db2.gz KLMYLTBMBSOSIC-INIZCTEOSA-N 2 2 342.553 1.940 20 0 EDADLP CSCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613861524 450341469 /nfs/dbraw/zinc/34/14/69/450341469.db2.gz KLMYLTBMBSOSIC-INIZCTEOSA-N 2 2 342.553 1.940 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000603900208 450374297 /nfs/dbraw/zinc/37/42/97/450374297.db2.gz YILOVDMAROBOHF-SFHVURJKSA-N 2 2 332.492 1.433 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000603900208 450374301 /nfs/dbraw/zinc/37/43/01/450374301.db2.gz YILOVDMAROBOHF-SFHVURJKSA-N 2 2 332.492 1.433 20 0 EDADLP CN1CCC[N@H+](CCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000603900208 450374304 /nfs/dbraw/zinc/37/43/04/450374304.db2.gz YILOVDMAROBOHF-SFHVURJKSA-N 2 2 332.492 1.433 20 0 EDADLP CN1CCC[N@@H+](CCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000603900208 450374307 /nfs/dbraw/zinc/37/43/07/450374307.db2.gz YILOVDMAROBOHF-SFHVURJKSA-N 2 2 332.492 1.433 20 0 EDADLP CC(C)(CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000623342417 450501071 /nfs/dbraw/zinc/50/10/71/450501071.db2.gz ZEQZGPAVKUCPGA-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000623342417 450501075 /nfs/dbraw/zinc/50/10/75/450501075.db2.gz ZEQZGPAVKUCPGA-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+](CCCNC(=O)NC[C@H]1COCC[NH+]1C)C1CCCCC1 ZINC000623390429 450512009 /nfs/dbraw/zinc/51/20/09/450512009.db2.gz MUZJSWAIKALRKL-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP C[N@@H+](CCCNC(=O)NC[C@H]1COCC[NH+]1C)C1CCCCC1 ZINC000623390429 450512012 /nfs/dbraw/zinc/51/20/12/450512012.db2.gz MUZJSWAIKALRKL-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](CCCNC(=O)NC[C@H]1COCC[N@@H+]1C)C1CCCCC1 ZINC000623390429 450512015 /nfs/dbraw/zinc/51/20/15/450512015.db2.gz MUZJSWAIKALRKL-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](CCCNC(=O)NC[C@H]1COCC[N@H+]1C)C1CCCCC1 ZINC000623390429 450512017 /nfs/dbraw/zinc/51/20/17/450512017.db2.gz MUZJSWAIKALRKL-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)c1[nH+]ccn1C ZINC000620603179 450519978 /nfs/dbraw/zinc/51/99/78/450519978.db2.gz FVSDRDOFCZPJPX-YOEHRIQHSA-N 2 2 342.443 1.795 20 0 EDADLP C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1[nH+]ccn1C ZINC000620601687 450520261 /nfs/dbraw/zinc/52/02/61/450520261.db2.gz ZEKQOBRLDYVNOT-WBVHZDCISA-N 2 2 342.443 1.888 20 0 EDADLP C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1[nH+]ccn1C ZINC000620601687 450520263 /nfs/dbraw/zinc/52/02/63/450520263.db2.gz ZEKQOBRLDYVNOT-WBVHZDCISA-N 2 2 342.443 1.888 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625944487 450539887 /nfs/dbraw/zinc/53/98/87/450539887.db2.gz PWUHDRKLEDDLIC-UHFFFAOYSA-N 2 2 327.388 1.797 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000626089204 450573373 /nfs/dbraw/zinc/57/33/73/450573373.db2.gz GCSAMDZJFSXQRS-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP COc1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)ccc1OCC(F)(F)F ZINC000623758342 450578479 /nfs/dbraw/zinc/57/84/79/450578479.db2.gz XXVDLBZUBZUZAG-CYBMUJFWSA-N 2 2 348.365 1.793 20 0 EDADLP COc1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)ccc1OCC(F)(F)F ZINC000623758342 450578481 /nfs/dbraw/zinc/57/84/81/450578481.db2.gz XXVDLBZUBZUZAG-CYBMUJFWSA-N 2 2 348.365 1.793 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC[NH2+]1 ZINC000621154368 450604165 /nfs/dbraw/zinc/60/41/65/450604165.db2.gz KOQMCQBBKHNJTP-ZDUSSCGKSA-N 2 2 330.436 1.104 20 0 EDADLP Cn1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c(-c2cc3ccccc3o2)n1 ZINC000623836974 450609067 /nfs/dbraw/zinc/60/90/67/450609067.db2.gz RWXJRTAMMFYQRF-INIZCTEOSA-N 2 2 340.427 1.990 20 0 EDADLP Cn1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c(-c2cc3ccccc3o2)n1 ZINC000623836974 450609072 /nfs/dbraw/zinc/60/90/72/450609072.db2.gz RWXJRTAMMFYQRF-INIZCTEOSA-N 2 2 340.427 1.990 20 0 EDADLP C[NH+](C)CC(=O)N1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623841141 450611712 /nfs/dbraw/zinc/61/17/12/450611712.db2.gz PEMARCRRQZWZDS-UHFFFAOYSA-N 2 2 338.415 1.093 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000633034316 450629186 /nfs/dbraw/zinc/62/91/86/450629186.db2.gz YEHIPUHGZJFSDP-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000633034316 450629189 /nfs/dbraw/zinc/62/91/89/450629189.db2.gz YEHIPUHGZJFSDP-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000627309127 450638095 /nfs/dbraw/zinc/63/80/95/450638095.db2.gz IOQKLQNWNZGCJJ-DLBZAZTESA-N 2 2 346.475 1.276 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000627309127 450638104 /nfs/dbraw/zinc/63/81/04/450638104.db2.gz IOQKLQNWNZGCJJ-DLBZAZTESA-N 2 2 346.475 1.276 20 0 EDADLP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000623965435 450652776 /nfs/dbraw/zinc/65/27/76/450652776.db2.gz JAEFWYVUPWJZCD-UHFFFAOYSA-N 2 2 341.415 1.218 20 0 EDADLP C[C@H]1C[C@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000623984327 450660785 /nfs/dbraw/zinc/66/07/85/450660785.db2.gz DTKUNSPSVNWQSM-GXTWGEPZSA-N 2 2 327.436 1.186 20 0 EDADLP C[C@H]1C[C@H](N(C)c2nc(N)nc(N)[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000623984327 450660789 /nfs/dbraw/zinc/66/07/89/450660789.db2.gz DTKUNSPSVNWQSM-GXTWGEPZSA-N 2 2 327.436 1.186 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000629416004 450661094 /nfs/dbraw/zinc/66/10/94/450661094.db2.gz DCAVEZBDRMKECR-INIZCTEOSA-N 2 2 346.475 1.549 20 0 EDADLP C[NH+](C)CC1(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000635140877 450687568 /nfs/dbraw/zinc/68/75/68/450687568.db2.gz LRPYXTOXZJQQGC-KRWDZBQOSA-N 2 2 331.460 1.518 20 0 EDADLP C[NH+](C)[C@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1ccccc1 ZINC000631646497 450692918 /nfs/dbraw/zinc/69/29/18/450692918.db2.gz MXYOZPLJUWOXFT-OAHLLOKOSA-N 2 2 325.478 1.303 20 0 EDADLP COc1cccc2c1OCCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000631651041 450695270 /nfs/dbraw/zinc/69/52/70/450695270.db2.gz HWXDWIIHBFNQAJ-CVEARBPZSA-N 2 2 347.459 1.838 20 0 EDADLP COc1cccc2c1OCCC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000631651041 450695273 /nfs/dbraw/zinc/69/52/73/450695273.db2.gz HWXDWIIHBFNQAJ-CVEARBPZSA-N 2 2 347.459 1.838 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000635155773 450701126 /nfs/dbraw/zinc/70/11/26/450701126.db2.gz DKWFZJSBAXCLBW-UHFFFAOYSA-N 2 2 327.432 1.746 20 0 EDADLP CN(C)[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1c(F)cccc1F ZINC000629567713 450741126 /nfs/dbraw/zinc/74/11/26/450741126.db2.gz QHLVIVMJKMUUDM-BBRMVZONSA-N 2 2 327.419 1.614 20 0 EDADLP COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000629590875 450752720 /nfs/dbraw/zinc/75/27/20/450752720.db2.gz VFJCKOISQYOZKG-MSOLQXFVSA-N 2 2 333.476 1.314 20 0 EDADLP COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000629590875 450752722 /nfs/dbraw/zinc/75/27/22/450752722.db2.gz VFJCKOISQYOZKG-MSOLQXFVSA-N 2 2 333.476 1.314 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000629590875 450752725 /nfs/dbraw/zinc/75/27/25/450752725.db2.gz VFJCKOISQYOZKG-MSOLQXFVSA-N 2 2 333.476 1.314 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC[C@H](O)C[NH+](C)C2CC2)cc1 ZINC000629590875 450752728 /nfs/dbraw/zinc/75/27/28/450752728.db2.gz VFJCKOISQYOZKG-MSOLQXFVSA-N 2 2 333.476 1.314 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2CNC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000629590875 450752735 /nfs/dbraw/zinc/75/27/35/450752735.db2.gz VFJCKOISQYOZKG-MSOLQXFVSA-N 2 2 333.476 1.314 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2CNC[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000629590875 450752737 /nfs/dbraw/zinc/75/27/37/450752737.db2.gz VFJCKOISQYOZKG-MSOLQXFVSA-N 2 2 333.476 1.314 20 0 EDADLP C[NH+](C)[C@@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1ccc(F)cc1 ZINC000631776091 450766756 /nfs/dbraw/zinc/76/67/56/450766756.db2.gz LJWXTXBFRHQBBO-HNNXBMFYSA-N 2 2 343.468 1.442 20 0 EDADLP Cn1c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)nc2cc(Cl)ccc21 ZINC000629652254 450770636 /nfs/dbraw/zinc/77/06/36/450770636.db2.gz DXVAJBBCFOYAKQ-UHFFFAOYSA-N 2 2 332.795 1.471 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000635279832 450810844 /nfs/dbraw/zinc/81/08/44/450810844.db2.gz RCFJFTFYTATLLZ-UHFFFAOYSA-N 2 2 346.519 1.305 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000635279832 450810851 /nfs/dbraw/zinc/81/08/51/450810851.db2.gz RCFJFTFYTATLLZ-UHFFFAOYSA-N 2 2 346.519 1.305 20 0 EDADLP O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000631849327 450824613 /nfs/dbraw/zinc/82/46/13/450824613.db2.gz FPUCZVXWCLVTQI-IRXDYDNUSA-N 2 2 348.878 1.030 20 0 EDADLP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621669290 450824847 /nfs/dbraw/zinc/82/48/47/450824847.db2.gz IXSOXJODJDCCGJ-WMZOPIPTSA-N 3 2 336.524 1.393 20 0 EDADLP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621669290 450824853 /nfs/dbraw/zinc/82/48/53/450824853.db2.gz IXSOXJODJDCCGJ-WMZOPIPTSA-N 3 2 336.524 1.393 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862542 450831932 /nfs/dbraw/zinc/83/19/32/450831932.db2.gz JUTUOFSHMHWLIN-OAHLLOKOSA-N 2 2 331.460 1.006 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCC1(c2ccccc2)CC1 ZINC000631886073 450847251 /nfs/dbraw/zinc/84/72/51/450847251.db2.gz FANSBBPFPAJVDP-WMZOPIPTSA-N 2 2 327.472 1.908 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCC1(c2ccccc2)CC1 ZINC000631886073 450847255 /nfs/dbraw/zinc/84/72/55/450847255.db2.gz FANSBBPFPAJVDP-WMZOPIPTSA-N 2 2 327.472 1.908 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC[C@@H]1COc2ccccc2O1 ZINC000631887423 450849010 /nfs/dbraw/zinc/84/90/10/450849010.db2.gz RFBYDUSBLYUYKS-BZUAXINKSA-N 2 2 345.443 1.017 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC[C@@H]1COc2ccccc2O1 ZINC000631887423 450849016 /nfs/dbraw/zinc/84/90/16/450849016.db2.gz RFBYDUSBLYUYKS-BZUAXINKSA-N 2 2 345.443 1.017 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783253 450866761 /nfs/dbraw/zinc/86/67/61/450866761.db2.gz ZGDUDSSJJBELRC-HLIPFELVSA-N 2 2 342.487 1.537 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783253 450866765 /nfs/dbraw/zinc/86/67/65/450866765.db2.gz ZGDUDSSJJBELRC-HLIPFELVSA-N 2 2 342.487 1.537 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000635402539 450909998 /nfs/dbraw/zinc/90/99/98/450909998.db2.gz RMOJXHWHSYEYOR-LPHOPBHVSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000635402539 450910003 /nfs/dbraw/zinc/91/00/03/450910003.db2.gz RMOJXHWHSYEYOR-LPHOPBHVSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000635402539 450910007 /nfs/dbraw/zinc/91/00/07/450910007.db2.gz RMOJXHWHSYEYOR-LPHOPBHVSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000635402539 450910011 /nfs/dbraw/zinc/91/00/11/450910011.db2.gz RMOJXHWHSYEYOR-LPHOPBHVSA-N 2 2 343.471 1.870 20 0 EDADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633556254 450912451 /nfs/dbraw/zinc/91/24/51/450912451.db2.gz VFEVREQHLLONAI-ZDUSSCGKSA-N 2 2 341.415 1.269 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CC[NH+](CC2CC2)CC1 ZINC000635380735 450892658 /nfs/dbraw/zinc/89/26/58/450892658.db2.gz YYKOVGGICQRXOW-UHFFFAOYSA-N 2 2 326.400 1.746 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000624737675 450975029 /nfs/dbraw/zinc/97/50/29/450975029.db2.gz KLQWFQAVBBVGRV-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000624737675 450975035 /nfs/dbraw/zinc/97/50/35/450975035.db2.gz KLQWFQAVBBVGRV-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000624737675 450975038 /nfs/dbraw/zinc/97/50/38/450975038.db2.gz KLQWFQAVBBVGRV-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000624737675 450975043 /nfs/dbraw/zinc/97/50/43/450975043.db2.gz KLQWFQAVBBVGRV-SFHVURJKSA-N 2 2 346.475 1.235 20 0 EDADLP C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[NH2+]1 ZINC000626889888 450986671 /nfs/dbraw/zinc/98/66/71/450986671.db2.gz JBTUDSPSBRSYHT-WFASDCNBSA-N 2 2 341.415 1.282 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000626974596 451044130 /nfs/dbraw/zinc/04/41/30/451044130.db2.gz IXGMEAVFJBMEMD-CHWSQXEVSA-N 2 2 338.402 1.590 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000626974596 451044134 /nfs/dbraw/zinc/04/41/34/451044134.db2.gz IXGMEAVFJBMEMD-CHWSQXEVSA-N 2 2 338.402 1.590 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000635507817 451003544 /nfs/dbraw/zinc/00/35/44/451003544.db2.gz AQDGBAQKCIMPMF-MRXNPFEDSA-N 2 2 333.480 1.279 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000635507817 451003548 /nfs/dbraw/zinc/00/35/48/451003548.db2.gz AQDGBAQKCIMPMF-MRXNPFEDSA-N 2 2 333.480 1.279 20 0 EDADLP CCn1ccnc1C[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635507817 451003551 /nfs/dbraw/zinc/00/35/51/451003551.db2.gz AQDGBAQKCIMPMF-MRXNPFEDSA-N 2 2 333.480 1.279 20 0 EDADLP CCn1ccnc1C[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635507817 451003554 /nfs/dbraw/zinc/00/35/54/451003554.db2.gz AQDGBAQKCIMPMF-MRXNPFEDSA-N 2 2 333.480 1.279 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635507817 451003558 /nfs/dbraw/zinc/00/35/58/451003558.db2.gz AQDGBAQKCIMPMF-MRXNPFEDSA-N 2 2 333.480 1.279 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635507817 451003559 /nfs/dbraw/zinc/00/35/59/451003559.db2.gz AQDGBAQKCIMPMF-MRXNPFEDSA-N 2 2 333.480 1.279 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C[NH2+]1 ZINC000626927324 451010861 /nfs/dbraw/zinc/01/08/61/451010861.db2.gz XUGQNBSESRAJMZ-RHSMWYFYSA-N 2 2 327.432 1.871 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000635515229 451012938 /nfs/dbraw/zinc/01/29/38/451012938.db2.gz PWUQOJHMOFOJPM-UHFFFAOYSA-N 2 2 330.436 1.084 20 0 EDADLP [NH3+]CCCOCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000626931707 451014504 /nfs/dbraw/zinc/01/45/04/451014504.db2.gz KVAXJGGEXLUQLB-UHFFFAOYSA-N 2 2 349.479 1.627 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626936592 451018120 /nfs/dbraw/zinc/01/81/20/451018120.db2.gz KAHCASLGTOUXMM-KSZLIROESA-N 2 2 346.475 1.500 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000632086576 451025194 /nfs/dbraw/zinc/02/51/94/451025194.db2.gz FYEXQXRJWCDOHL-CQSZACIVSA-N 2 2 326.466 1.405 20 0 EDADLP C[C@@H]1CN(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000624870639 451039535 /nfs/dbraw/zinc/03/95/35/451039535.db2.gz DJRXUUZORPUSPT-GASCZTMLSA-N 2 2 326.485 1.173 20 0 EDADLP C[C@@H]1CN(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000624870639 451039539 /nfs/dbraw/zinc/03/95/39/451039539.db2.gz DJRXUUZORPUSPT-GASCZTMLSA-N 2 2 326.485 1.173 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000635559285 451057872 /nfs/dbraw/zinc/05/78/72/451057872.db2.gz ATBWIMHVIXZEPO-MOPGFXCFSA-N 2 2 345.487 1.388 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000635559285 451057876 /nfs/dbraw/zinc/05/78/76/451057876.db2.gz ATBWIMHVIXZEPO-MOPGFXCFSA-N 2 2 345.487 1.388 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000628061685 451113632 /nfs/dbraw/zinc/11/36/32/451113632.db2.gz NFMXTUQHFYRLDS-OAHLLOKOSA-N 2 2 337.439 1.377 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000628061685 451113635 /nfs/dbraw/zinc/11/36/35/451113635.db2.gz NFMXTUQHFYRLDS-OAHLLOKOSA-N 2 2 337.439 1.377 20 0 EDADLP CN(C)[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)c1c[nH+]cn1C ZINC000633945522 451119796 /nfs/dbraw/zinc/11/97/96/451119796.db2.gz OAPWHONPXLFAQL-MRXNPFEDSA-N 2 2 333.480 1.500 20 0 EDADLP C[NH+](C)Cc1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cn1 ZINC000622351512 451130255 /nfs/dbraw/zinc/13/02/55/451130255.db2.gz UPEXWRAXQOKQAT-UHFFFAOYSA-N 2 2 341.337 1.832 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CCSC1 ZINC000635650027 451135886 /nfs/dbraw/zinc/13/58/86/451135886.db2.gz ZCSNEHRWAJBJHN-QGZVFWFLSA-N 2 2 346.456 1.745 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627127064 451140110 /nfs/dbraw/zinc/14/01/10/451140110.db2.gz RQNPJXMFAKGJII-OAHLLOKOSA-N 2 2 329.448 1.766 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000627167780 451161288 /nfs/dbraw/zinc/16/12/88/451161288.db2.gz MOWQUKFJBPOUJO-LSDHHAIUSA-N 2 2 337.493 1.501 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000627167780 451161290 /nfs/dbraw/zinc/16/12/90/451161290.db2.gz MOWQUKFJBPOUJO-LSDHHAIUSA-N 2 2 337.493 1.501 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627197393 451181295 /nfs/dbraw/zinc/18/12/95/451181295.db2.gz LFRUVWFZYBDHBV-NVXWUHKLSA-N 2 2 346.475 1.663 20 0 EDADLP CCc1c[nH]c(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[nH+]1 ZINC000635703967 451184736 /nfs/dbraw/zinc/18/47/36/451184736.db2.gz CHDUHNNOVRWSBY-CVEARBPZSA-N 2 2 334.464 1.399 20 0 EDADLP CC(C)(CO)[NH+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635741658 451212251 /nfs/dbraw/zinc/21/22/51/451212251.db2.gz XPBAJCCWRPLINE-LBPRGKRZSA-N 2 2 348.369 1.292 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)[C@H]2C1 ZINC000635780138 451235802 /nfs/dbraw/zinc/23/58/02/451235802.db2.gz PQCKLBWOATXPJJ-CJNGLKHVSA-N 2 2 326.400 1.744 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)[C@H]2C1 ZINC000635780138 451235806 /nfs/dbraw/zinc/23/58/06/451235806.db2.gz PQCKLBWOATXPJJ-CJNGLKHVSA-N 2 2 326.400 1.744 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC(Cc4cccs4)C3)cn2)CC1 ZINC000628478568 451263885 /nfs/dbraw/zinc/26/38/85/451263885.db2.gz IBIRZOOYZZDMBF-UHFFFAOYSA-N 2 2 343.500 1.964 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[NH+]1CCSCC1 ZINC000628545416 451284812 /nfs/dbraw/zinc/28/48/12/451284812.db2.gz LXGAICDNGOBLIQ-ZBFHGGJFSA-N 2 2 325.522 1.947 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+]1CCSCC1 ZINC000628545416 451284817 /nfs/dbraw/zinc/28/48/17/451284817.db2.gz LXGAICDNGOBLIQ-ZBFHGGJFSA-N 2 2 325.522 1.947 20 0 EDADLP Cc1cccc2c1C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)N2 ZINC000638116949 451285259 /nfs/dbraw/zinc/28/52/59/451285259.db2.gz MXIJDPVPCWHJEP-BEFAXECRSA-N 2 2 342.487 1.616 20 0 EDADLP Cc1cccc2c1C[C@@H](C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)N2 ZINC000638116949 451285266 /nfs/dbraw/zinc/28/52/66/451285266.db2.gz MXIJDPVPCWHJEP-BEFAXECRSA-N 2 2 342.487 1.616 20 0 EDADLP Cc1n[nH]c(C)c1CCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195833 451232103 /nfs/dbraw/zinc/23/21/03/451232103.db2.gz GTCGUQITLLBCJV-UHFFFAOYSA-N 2 2 342.447 1.745 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638121047 451290847 /nfs/dbraw/zinc/29/08/47/451290847.db2.gz CVGQMNXOXMAZTO-OAHLLOKOSA-N 2 2 325.478 1.498 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638121047 451290852 /nfs/dbraw/zinc/29/08/52/451290852.db2.gz CVGQMNXOXMAZTO-OAHLLOKOSA-N 2 2 325.478 1.498 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000638172807 451336111 /nfs/dbraw/zinc/33/61/11/451336111.db2.gz QWDLZUGTICQZSP-CZUORRHYSA-N 2 2 334.445 1.614 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000638172807 451336114 /nfs/dbraw/zinc/33/61/14/451336114.db2.gz QWDLZUGTICQZSP-CZUORRHYSA-N 2 2 334.445 1.614 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)CC2)cc(OC)c1 ZINC000638130789 451301887 /nfs/dbraw/zinc/30/18/87/451301887.db2.gz IXKJLDYATUVFBM-INIZCTEOSA-N 2 2 345.443 1.396 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@]3(C[NH3+])CCCOC3)c2)CC1 ZINC000638136928 451310869 /nfs/dbraw/zinc/31/08/69/451310869.db2.gz CKJOQSBMKIBLGM-LJQANCHMSA-N 2 2 346.475 1.128 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000635863733 451311480 /nfs/dbraw/zinc/31/14/80/451311480.db2.gz ULQXZCRGOWYWOA-HZPDHXFCSA-N 2 2 344.390 1.836 20 0 EDADLP CC1(C)[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000640519392 451371014 /nfs/dbraw/zinc/37/10/14/451371014.db2.gz LZVQXQQYECAQHX-GJZGRUSLSA-N 2 2 328.416 1.563 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[NH+]1CCCCCC1 ZINC000634511554 451377469 /nfs/dbraw/zinc/37/74/69/451377469.db2.gz SSMPBJMPSVHGPS-QGZVFWFLSA-N 2 2 345.491 1.428 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccco1 ZINC000636604863 451344274 /nfs/dbraw/zinc/34/42/74/451344274.db2.gz YXSFHROXWYOBCK-CYBMUJFWSA-N 2 2 347.419 1.160 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000635901647 451345084 /nfs/dbraw/zinc/34/50/84/451345084.db2.gz GIOUMTDJLRJRIL-MRXNPFEDSA-N 2 2 334.464 1.577 20 0 EDADLP COC[C@]1(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCCC[NH2+]1 ZINC000638288467 451404406 /nfs/dbraw/zinc/40/44/06/451404406.db2.gz QYZWXEAXLUBXTI-SFHVURJKSA-N 2 2 348.447 1.324 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)CC2)c1 ZINC000638295686 451411240 /nfs/dbraw/zinc/41/12/40/451411240.db2.gz YHDMUHNSUILZSC-INIZCTEOSA-N 2 2 345.443 1.266 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640570643 451415538 /nfs/dbraw/zinc/41/55/38/451415538.db2.gz WAHKQNBPMUEGNC-HOCLYGCPSA-N 2 2 347.463 1.470 20 0 EDADLP CC(=O)N1CCC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000634641056 451433231 /nfs/dbraw/zinc/43/32/31/451433231.db2.gz MBGIMQRUBXZXGV-LJQANCHMSA-N 2 2 331.460 1.178 20 0 EDADLP CC(=O)N1CCC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000634641056 451433239 /nfs/dbraw/zinc/43/32/39/451433239.db2.gz MBGIMQRUBXZXGV-LJQANCHMSA-N 2 2 331.460 1.178 20 0 EDADLP CC(=O)N1CCC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634641056 451433244 /nfs/dbraw/zinc/43/32/44/451433244.db2.gz MBGIMQRUBXZXGV-LJQANCHMSA-N 2 2 331.460 1.178 20 0 EDADLP CC(=O)N1CCC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634641056 451433250 /nfs/dbraw/zinc/43/32/50/451433250.db2.gz MBGIMQRUBXZXGV-LJQANCHMSA-N 2 2 331.460 1.178 20 0 EDADLP CCOC1CC(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000638352081 451452933 /nfs/dbraw/zinc/45/29/33/451452933.db2.gz LOIQDCWZBXYCJV-UHFFFAOYSA-N 2 2 333.480 1.393 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000640608415 451454648 /nfs/dbraw/zinc/45/46/48/451454648.db2.gz DNFMSGPUJCQOIW-HNNXBMFYSA-N 2 2 335.452 1.626 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000640608415 451454654 /nfs/dbraw/zinc/45/46/54/451454654.db2.gz DNFMSGPUJCQOIW-HNNXBMFYSA-N 2 2 335.452 1.626 20 0 EDADLP CO[C@H](C[NH2+]CC1([NH+]2CCSCC2)CCCC1)[C@H]1CCOC1 ZINC000638358953 451459268 /nfs/dbraw/zinc/45/92/68/451459268.db2.gz CYRNMEJAOMBCJA-JKSUJKDBSA-N 2 2 328.522 1.989 20 0 EDADLP Cc1cccn2cc(CC(=O)NC[C@H](O)C[NH+]3CCCCC3)[nH+]c12 ZINC000636047303 451464242 /nfs/dbraw/zinc/46/42/42/451464242.db2.gz IBJLGFCRMVGEPL-INIZCTEOSA-N 2 2 330.432 1.148 20 0 EDADLP O[C@]1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700874 451474669 /nfs/dbraw/zinc/47/46/69/451474669.db2.gz GUAIZHDAEDQBPE-ICSRJNTNSA-N 3 2 329.488 1.697 20 0 EDADLP O[C@]1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700874 451474674 /nfs/dbraw/zinc/47/46/74/451474674.db2.gz GUAIZHDAEDQBPE-ICSRJNTNSA-N 3 2 329.488 1.697 20 0 EDADLP O[C@]1(C[NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634700874 451474681 /nfs/dbraw/zinc/47/46/81/451474681.db2.gz GUAIZHDAEDQBPE-ICSRJNTNSA-N 3 2 329.488 1.697 20 0 EDADLP O[C@]1(C[NH2+]C[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700874 451474684 /nfs/dbraw/zinc/47/46/84/451474684.db2.gz GUAIZHDAEDQBPE-ICSRJNTNSA-N 3 2 329.488 1.697 20 0 EDADLP Cn1ncnc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000638381529 451475271 /nfs/dbraw/zinc/47/52/71/451475271.db2.gz MILDXDGKNDZBPG-UHFFFAOYSA-N 2 2 342.491 1.503 20 0 EDADLP C[C@H]1CN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000640601206 451446649 /nfs/dbraw/zinc/44/66/49/451446649.db2.gz BCBNXWNXSOJYFL-ZDUSSCGKSA-N 2 2 335.452 1.457 20 0 EDADLP C[C@H]1CN(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@H+]1CC(C)(C)O ZINC000640601206 451446653 /nfs/dbraw/zinc/44/66/53/451446653.db2.gz BCBNXWNXSOJYFL-ZDUSSCGKSA-N 2 2 335.452 1.457 20 0 EDADLP CCc1c[nH]c(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[nH+]1 ZINC000638412692 451498315 /nfs/dbraw/zinc/49/83/15/451498315.db2.gz KJVSINSKVALBMK-HZPDHXFCSA-N 2 2 330.407 1.916 20 0 EDADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631042103 451548670 /nfs/dbraw/zinc/54/86/70/451548670.db2.gz WCTFBURZCMANHS-UHFFFAOYSA-N 2 2 349.884 1.045 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631042103 451548673 /nfs/dbraw/zinc/54/86/73/451548673.db2.gz WCTFBURZCMANHS-UHFFFAOYSA-N 2 2 349.884 1.045 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631035735 451545045 /nfs/dbraw/zinc/54/50/45/451545045.db2.gz PNVMJJXXRRHVEP-HNNXBMFYSA-N 2 2 340.431 1.763 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[nH+]1 ZINC000636170556 451561417 /nfs/dbraw/zinc/56/14/17/451561417.db2.gz BLWKMLFEPKUNST-KRWDZBQOSA-N 2 2 342.443 1.398 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH+]1 ZINC000636170556 451561423 /nfs/dbraw/zinc/56/14/23/451561423.db2.gz BLWKMLFEPKUNST-KRWDZBQOSA-N 2 2 342.443 1.398 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)[C@@H]1CC[NH3+] ZINC000634811566 451567230 /nfs/dbraw/zinc/56/72/30/451567230.db2.gz JLPNBRCTMBPBIT-OWCLPIDISA-N 2 2 333.480 1.639 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)[C@@H]1CC[NH3+] ZINC000634811566 451567234 /nfs/dbraw/zinc/56/72/34/451567234.db2.gz JLPNBRCTMBPBIT-OWCLPIDISA-N 2 2 333.480 1.639 20 0 EDADLP OCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCC1 ZINC000631110981 451590150 /nfs/dbraw/zinc/59/01/50/451590150.db2.gz LQTHOFCLFAFNJH-UHFFFAOYSA-N 2 2 334.460 1.650 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000632850908 451612906 /nfs/dbraw/zinc/61/29/06/451612906.db2.gz QTLVUXPIBXHFMJ-UHFFFAOYSA-N 2 2 342.447 1.111 20 0 EDADLP C[NH+](C)CCN1CCC(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638563660 451578819 /nfs/dbraw/zinc/57/88/19/451578819.db2.gz APRUECSPWGERJO-UHFFFAOYSA-N 3 2 340.556 1.085 20 0 EDADLP C[C@@H]([NH2+]Cc1ncnn1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638568332 451581275 /nfs/dbraw/zinc/58/12/75/451581275.db2.gz ZZDORZCRWNDJMD-CYBMUJFWSA-N 2 2 332.427 1.557 20 0 EDADLP C[C@@H]1CCn2cc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)nc2C1 ZINC000631276474 451677114 /nfs/dbraw/zinc/67/71/14/451677114.db2.gz PFMKTXZYKHBVCZ-OAHLLOKOSA-N 2 2 347.507 1.563 20 0 EDADLP C[C@@H]1CCn2cc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)nc2C1 ZINC000631276474 451677115 /nfs/dbraw/zinc/67/71/15/451677115.db2.gz PFMKTXZYKHBVCZ-OAHLLOKOSA-N 2 2 347.507 1.563 20 0 EDADLP C[C@@H]1C[C@H]1c1noc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000631326588 451696215 /nfs/dbraw/zinc/69/62/15/451696215.db2.gz MBTWWDKOACLFBD-TZMCWYRMSA-N 2 2 335.452 1.291 20 0 EDADLP C[C@@H]1C[C@H]1c1noc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000631326588 451696219 /nfs/dbraw/zinc/69/62/19/451696219.db2.gz MBTWWDKOACLFBD-TZMCWYRMSA-N 2 2 335.452 1.291 20 0 EDADLP CC(C)(CNc1cccc(C[NH+]2CCOCC2)n1)[NH+]1CCOCC1 ZINC000638835830 451705458 /nfs/dbraw/zinc/70/54/58/451705458.db2.gz SBUIOICTVMXHGI-UHFFFAOYSA-N 2 2 334.464 1.437 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000638972177 451743880 /nfs/dbraw/zinc/74/38/80/451743880.db2.gz UDCSGHISZMJCDO-OLZOCXBDSA-N 2 2 341.477 1.670 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638972177 451743882 /nfs/dbraw/zinc/74/38/82/451743882.db2.gz UDCSGHISZMJCDO-OLZOCXBDSA-N 2 2 341.477 1.670 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000638988263 451748260 /nfs/dbraw/zinc/74/82/60/451748260.db2.gz CCVBWRTXZYNIKO-HZPDHXFCSA-N 2 2 346.500 1.782 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000639003332 451751445 /nfs/dbraw/zinc/75/14/45/451751445.db2.gz GRPUKVCIDAGTEQ-DLBZAZTESA-N 2 2 345.491 1.189 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000641164437 451767019 /nfs/dbraw/zinc/76/70/19/451767019.db2.gz ONYWIAMYWZRSGG-QZTJIDSGSA-N 2 2 338.415 1.999 20 0 EDADLP CCN(CCOC)c1cccc(Cn2cc(CC[NH+](C)C)nn2)[nH+]1 ZINC000641169939 451768205 /nfs/dbraw/zinc/76/82/05/451768205.db2.gz RROJBJKNEKWSBQ-UHFFFAOYSA-N 2 2 332.452 1.298 20 0 EDADLP C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639269852 451801508 /nfs/dbraw/zinc/80/15/08/451801508.db2.gz LUVCDCSXBMSUAZ-MJGOQNOKSA-N 2 2 348.487 1.990 20 0 EDADLP C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639269852 451801510 /nfs/dbraw/zinc/80/15/10/451801510.db2.gz LUVCDCSXBMSUAZ-MJGOQNOKSA-N 2 2 348.487 1.990 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000639327200 451827702 /nfs/dbraw/zinc/82/77/02/451827702.db2.gz LQUXKNKBFQLMBH-VAMGGRTRSA-N 2 2 347.503 1.444 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000639327200 451827708 /nfs/dbraw/zinc/82/77/08/451827708.db2.gz LQUXKNKBFQLMBH-VAMGGRTRSA-N 2 2 347.503 1.444 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641311306 451833909 /nfs/dbraw/zinc/83/39/09/451833909.db2.gz WINYMBVPRSBBPP-HNNXBMFYSA-N 2 2 328.482 1.457 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641311306 451833917 /nfs/dbraw/zinc/83/39/17/451833917.db2.gz WINYMBVPRSBBPP-HNNXBMFYSA-N 2 2 328.482 1.457 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(=O)N1CCCC[C@H]1C ZINC000644563113 451864429 /nfs/dbraw/zinc/86/44/29/451864429.db2.gz MLVFBGZRTDHLQJ-AOIWGVFYSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(=O)N1CCCC[C@H]1C ZINC000644563113 451864435 /nfs/dbraw/zinc/86/44/35/451864435.db2.gz MLVFBGZRTDHLQJ-AOIWGVFYSA-N 2 2 347.503 1.858 20 0 EDADLP Cc1ncc(CNC(=O)CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000639477553 451887670 /nfs/dbraw/zinc/88/76/70/451887670.db2.gz ZGXYSISDSRRQSC-AWEZNQCLSA-N 2 2 333.461 1.991 20 0 EDADLP Cc1ncc(CNC(=O)CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000639477553 451887678 /nfs/dbraw/zinc/88/76/78/451887678.db2.gz ZGXYSISDSRRQSC-AWEZNQCLSA-N 2 2 333.461 1.991 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc3c2CCOC3)CC1 ZINC000639477120 451888036 /nfs/dbraw/zinc/88/80/36/451888036.db2.gz XZJHROPUGQOLDY-UHFFFAOYSA-N 2 2 345.487 1.745 20 0 EDADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)COc1ccc2c(c1)OCO2 ZINC000644643328 451914147 /nfs/dbraw/zinc/91/41/47/451914147.db2.gz NNVYIRJIRVWCJM-CQSZACIVSA-N 2 2 345.399 1.478 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3([NH3+])CCN(C)C3)n2)C1 ZINC000649278570 451949989 /nfs/dbraw/zinc/94/99/89/451949989.db2.gz MLEBUGGGSOYFMM-MLGOLLRUSA-N 2 2 337.493 1.347 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3([NH3+])CCN(C)C3)n2)C1 ZINC000649278570 451949994 /nfs/dbraw/zinc/94/99/94/451949994.db2.gz MLEBUGGGSOYFMM-MLGOLLRUSA-N 2 2 337.493 1.347 20 0 EDADLP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000649253096 451933466 /nfs/dbraw/zinc/93/34/66/451933466.db2.gz IJUZLWDLZOBATK-RDGPPVDQSA-N 3 2 344.478 1.128 20 0 EDADLP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000649253096 451933472 /nfs/dbraw/zinc/93/34/72/451933472.db2.gz IJUZLWDLZOBATK-RDGPPVDQSA-N 3 2 344.478 1.128 20 0 EDADLP COC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC[NH2+]1 ZINC000649284913 451957816 /nfs/dbraw/zinc/95/78/16/451957816.db2.gz LMDSZZBFRQCSMN-GOSISDBHSA-N 2 2 332.448 1.457 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000642788927 451964690 /nfs/dbraw/zinc/96/46/90/451964690.db2.gz JFYPYSQHHDXRBM-SJORKVTESA-N 2 2 346.475 1.121 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000642788927 451964696 /nfs/dbraw/zinc/96/46/96/451964696.db2.gz JFYPYSQHHDXRBM-SJORKVTESA-N 2 2 346.475 1.121 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000653483955 451977088 /nfs/dbraw/zinc/97/70/88/451977088.db2.gz JCZBOYORVSECPG-HNNXBMFYSA-N 2 2 337.439 1.286 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000653483955 451977091 /nfs/dbraw/zinc/97/70/91/451977091.db2.gz JCZBOYORVSECPG-HNNXBMFYSA-N 2 2 337.439 1.286 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000653483955 451977094 /nfs/dbraw/zinc/97/70/94/451977094.db2.gz JCZBOYORVSECPG-HNNXBMFYSA-N 2 2 337.439 1.286 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000653483955 451977097 /nfs/dbraw/zinc/97/70/97/451977097.db2.gz JCZBOYORVSECPG-HNNXBMFYSA-N 2 2 337.439 1.286 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[NH2+]CCC1(F)F ZINC000649306576 451983252 /nfs/dbraw/zinc/98/32/52/451983252.db2.gz YVCAXBBBCDAKBJ-OAHLLOKOSA-N 2 2 339.386 1.702 20 0 EDADLP CC(=O)N1CC[C@@]([NH3+])(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)C1 ZINC000649315416 451994603 /nfs/dbraw/zinc/99/46/03/451994603.db2.gz JBNZTKYBXWASNL-SFHVURJKSA-N 2 2 341.415 1.719 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000653557509 452014744 /nfs/dbraw/zinc/01/47/44/452014744.db2.gz XXQPVOXEHBRCOT-HUUCEWRRSA-N 2 2 334.382 1.815 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000653557509 452014747 /nfs/dbraw/zinc/01/47/47/452014747.db2.gz XXQPVOXEHBRCOT-HUUCEWRRSA-N 2 2 334.382 1.815 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000649351777 452035910 /nfs/dbraw/zinc/03/59/10/452035910.db2.gz RGYCJDBXMSWMIN-AEFFLSMTSA-N 2 2 330.476 1.748 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H]3Cc4c[nH+]cn4C3)C2)cc1 ZINC000637716547 452040752 /nfs/dbraw/zinc/04/07/52/452040752.db2.gz JIBQSZGFZIASRP-IAGOWNOFSA-N 2 2 339.443 1.690 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N[C@@H]3Cc4c[nH+]cn4C3)C2)cc1 ZINC000637716547 452040759 /nfs/dbraw/zinc/04/07/59/452040759.db2.gz JIBQSZGFZIASRP-IAGOWNOFSA-N 2 2 339.443 1.690 20 0 EDADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651733456 452043424 /nfs/dbraw/zinc/04/34/24/452043424.db2.gz ICZMNMQIPIQTDA-MOPGFXCFSA-N 2 2 341.459 1.735 20 0 EDADLP CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641511468 452043604 /nfs/dbraw/zinc/04/36/04/452043604.db2.gz SXFYKJBBWUFMLP-OAHLLOKOSA-N 2 2 345.428 1.657 20 0 EDADLP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644857 452057165 /nfs/dbraw/zinc/05/71/65/452057165.db2.gz TYMOHCBTIFZGAM-UHFFFAOYSA-N 2 2 338.415 1.091 20 0 EDADLP C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641533150 452063748 /nfs/dbraw/zinc/06/37/48/452063748.db2.gz VWZPVVSYLNUCJZ-UHFFFAOYSA-N 2 2 342.490 1.338 20 0 EDADLP O=C1N[C@@H]2C[N@H+](Cc3ccncc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000649420757 452083432 /nfs/dbraw/zinc/08/34/32/452083432.db2.gz OMVXAOABWYRFFX-CVEARBPZSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](Cc3ccncc3Cl)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000649420757 452083437 /nfs/dbraw/zinc/08/34/37/452083437.db2.gz OMVXAOABWYRFFX-CVEARBPZSA-N 2 2 349.866 1.455 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762999 452102395 /nfs/dbraw/zinc/10/23/95/452102395.db2.gz BNYWKWGGIHXUFF-HKUYNNGSSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762999 452102401 /nfs/dbraw/zinc/10/24/01/452102401.db2.gz BNYWKWGGIHXUFF-HKUYNNGSSA-N 2 2 336.476 1.432 20 0 EDADLP CCc1cc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)no1 ZINC000643260836 452102407 /nfs/dbraw/zinc/10/24/07/452102407.db2.gz FAMOLWRVPCVTHF-UHFFFAOYSA-N 2 2 349.479 2.261 20 0 EDADLP CCc1cc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)no1 ZINC000643260836 452102411 /nfs/dbraw/zinc/10/24/11/452102411.db2.gz FAMOLWRVPCVTHF-UHFFFAOYSA-N 2 2 349.479 2.261 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000639762846 452102585 /nfs/dbraw/zinc/10/25/85/452102585.db2.gz OFXPYWNNHZEZBY-HNNXBMFYSA-N 2 2 347.381 1.911 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000639762846 452102592 /nfs/dbraw/zinc/10/25/92/452102592.db2.gz OFXPYWNNHZEZBY-HNNXBMFYSA-N 2 2 347.381 1.911 20 0 EDADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762897 452102648 /nfs/dbraw/zinc/10/26/48/452102648.db2.gz ANZAYTBSTMZPTK-YJBOKZPZSA-N 2 2 325.497 1.460 20 0 EDADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762897 452102653 /nfs/dbraw/zinc/10/26/53/452102653.db2.gz ANZAYTBSTMZPTK-YJBOKZPZSA-N 2 2 325.497 1.460 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639763338 452104032 /nfs/dbraw/zinc/10/40/32/452104032.db2.gz CHXAISAIJQFLJH-PKOBYXMFSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c(C)c1 ZINC000639763338 452104036 /nfs/dbraw/zinc/10/40/36/452104036.db2.gz CHXAISAIJQFLJH-PKOBYXMFSA-N 2 2 336.476 1.432 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639765595 452107214 /nfs/dbraw/zinc/10/72/14/452107214.db2.gz KLXCRVVKDQIVEN-LJQANCHMSA-N 2 2 349.475 1.042 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639765595 452107217 /nfs/dbraw/zinc/10/72/17/452107217.db2.gz KLXCRVVKDQIVEN-LJQANCHMSA-N 2 2 349.475 1.042 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768003 452109640 /nfs/dbraw/zinc/10/96/40/452109640.db2.gz XEEXCSJEGRFGBT-PBHICJAKSA-N 2 2 339.505 1.184 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768003 452109644 /nfs/dbraw/zinc/10/96/44/452109644.db2.gz XEEXCSJEGRFGBT-PBHICJAKSA-N 2 2 339.505 1.184 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CO1 ZINC000647183404 452111652 /nfs/dbraw/zinc/11/16/52/452111652.db2.gz WIGYGNANSOMFNG-BZUAXINKSA-N 2 2 347.463 1.049 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647193104 452119261 /nfs/dbraw/zinc/11/92/61/452119261.db2.gz KTIQYTHZIAUZGI-ZWKOTPCHSA-N 2 2 341.459 1.735 20 0 EDADLP COc1ccc2c(CC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])coc2c1C ZINC000637864137 452119727 /nfs/dbraw/zinc/11/97/27/452119727.db2.gz NACHOBPQIYDERB-AWEZNQCLSA-N 2 2 331.416 1.394 20 0 EDADLP COc1ccc2c(CC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])coc2c1C ZINC000637864137 452119734 /nfs/dbraw/zinc/11/97/34/452119734.db2.gz NACHOBPQIYDERB-AWEZNQCLSA-N 2 2 331.416 1.394 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000649546847 452138014 /nfs/dbraw/zinc/13/80/14/452138014.db2.gz BVNMPDBNOWZQHC-BXUZGUMPSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000649546847 452138020 /nfs/dbraw/zinc/13/80/20/452138020.db2.gz BVNMPDBNOWZQHC-BXUZGUMPSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000649546847 452138026 /nfs/dbraw/zinc/13/80/26/452138026.db2.gz BVNMPDBNOWZQHC-BXUZGUMPSA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC[NH+]1C ZINC000649546847 452138030 /nfs/dbraw/zinc/13/80/30/452138030.db2.gz BVNMPDBNOWZQHC-BXUZGUMPSA-N 2 2 345.896 1.902 20 0 EDADLP COCc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000645100522 452151584 /nfs/dbraw/zinc/15/15/84/452151584.db2.gz RFGMDCTYBUMGCJ-SFHVURJKSA-N 2 2 331.460 1.747 20 0 EDADLP COCc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000645100522 452151590 /nfs/dbraw/zinc/15/15/90/452151590.db2.gz RFGMDCTYBUMGCJ-SFHVURJKSA-N 2 2 331.460 1.747 20 0 EDADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000653898448 452167496 /nfs/dbraw/zinc/16/74/96/452167496.db2.gz ZRNQAJVZGVBAKQ-IAGOWNOFSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C1CC1 ZINC000653898448 452167505 /nfs/dbraw/zinc/16/75/05/452167505.db2.gz ZRNQAJVZGVBAKQ-IAGOWNOFSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@]1(CO)C[C@H](O)C[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000639849423 452179524 /nfs/dbraw/zinc/17/95/24/452179524.db2.gz OLRNLKFJVRSECM-IPMKNSEASA-N 2 2 334.460 1.095 20 0 EDADLP C[C@]1(CO)C[C@H](O)C[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000639849423 452179526 /nfs/dbraw/zinc/17/95/26/452179526.db2.gz OLRNLKFJVRSECM-IPMKNSEASA-N 2 2 334.460 1.095 20 0 EDADLP C[C@]1(CO)C[C@H](O)C[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000639849423 452179529 /nfs/dbraw/zinc/17/95/29/452179529.db2.gz OLRNLKFJVRSECM-IPMKNSEASA-N 2 2 334.460 1.095 20 0 EDADLP C[C@]1(CO)C[C@H](O)C[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000639849423 452179532 /nfs/dbraw/zinc/17/95/32/452179532.db2.gz OLRNLKFJVRSECM-IPMKNSEASA-N 2 2 334.460 1.095 20 0 EDADLP C[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654052899 452221718 /nfs/dbraw/zinc/22/17/18/452221718.db2.gz UFJHZIVWLNMTQQ-KFWWJZLASA-N 2 2 343.431 1.495 20 0 EDADLP C[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654052899 452221724 /nfs/dbraw/zinc/22/17/24/452221724.db2.gz UFJHZIVWLNMTQQ-KFWWJZLASA-N 2 2 343.431 1.495 20 0 EDADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000643455479 452232548 /nfs/dbraw/zinc/23/25/48/452232548.db2.gz JYGUAGDYDPFDPV-GUDVDZBRSA-N 3 2 338.540 1.293 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)c2)CC1 ZINC000655449935 452245711 /nfs/dbraw/zinc/24/57/11/452245711.db2.gz WGFACRQTDNBTPE-QUCCMNQESA-N 2 2 342.487 1.762 20 0 EDADLP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787231 452258959 /nfs/dbraw/zinc/25/89/59/452258959.db2.gz SCNVXHMQFAJNIR-LJQANCHMSA-N 2 2 349.523 1.659 20 0 EDADLP Cn1c2ccccc2cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1=O ZINC000643490593 452259876 /nfs/dbraw/zinc/25/98/76/452259876.db2.gz ZQNQIFZYZQRWJR-ZWKOTPCHSA-N 2 2 327.428 1.395 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000638018219 452261645 /nfs/dbraw/zinc/26/16/45/452261645.db2.gz NDNZTMJKDBSCLT-NSHDSACASA-N 2 2 326.447 1.429 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000638018219 452261666 /nfs/dbraw/zinc/26/16/66/452261666.db2.gz NDNZTMJKDBSCLT-NSHDSACASA-N 2 2 326.447 1.429 20 0 EDADLP c1nc(C2CC2)ncc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787572 452263968 /nfs/dbraw/zinc/26/39/68/452263968.db2.gz VOXAIPZKMUZIRJ-GOSISDBHSA-N 2 2 345.491 1.240 20 0 EDADLP c1nc(N2CCC(OCC[NH+]3CCCC3)CC2)c2c([nH+]1)NCCO2 ZINC000665704386 452264761 /nfs/dbraw/zinc/26/47/61/452264761.db2.gz XIDFZAGASYCEIF-UHFFFAOYSA-N 2 2 333.436 1.362 20 0 EDADLP c1nc2c(c(N3CCC(OCC[NH+]4CCCC4)CC3)[nH+]1)OCCN2 ZINC000665704386 452264775 /nfs/dbraw/zinc/26/47/75/452264775.db2.gz XIDFZAGASYCEIF-UHFFFAOYSA-N 2 2 333.436 1.362 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000641788390 452265962 /nfs/dbraw/zinc/26/59/62/452265962.db2.gz ZJGIXTGYPILPPM-XWTMOSNGSA-N 2 2 325.497 1.329 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[C@H]1c1ccc(F)cc1 ZINC000655480014 452276074 /nfs/dbraw/zinc/27/60/74/452276074.db2.gz LUNFPQZPNCGHBX-BHYGNILZSA-N 2 2 342.418 1.928 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647550699 452276869 /nfs/dbraw/zinc/27/68/69/452276869.db2.gz CGGNWIUDKJNWKW-PBHICJAKSA-N 2 2 339.505 1.602 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@H]1F ZINC000659431240 452277365 /nfs/dbraw/zinc/27/73/65/452277365.db2.gz JWINJNFIBXFKQT-HUUCEWRRSA-N 2 2 335.427 1.653 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659436094 452284061 /nfs/dbraw/zinc/28/40/61/452284061.db2.gz OVVDCVNNXGGTPS-NVXWUHKLSA-N 2 2 338.496 1.128 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)cc2[nH+]1 ZINC000657521909 452307907 /nfs/dbraw/zinc/30/79/07/452307907.db2.gz FPRQJVVEUJPXSF-UHFFFAOYSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCCC[N@H+](C)C(C)C)cc2[nH+]1 ZINC000657521909 452307916 /nfs/dbraw/zinc/30/79/16/452307916.db2.gz FPRQJVVEUJPXSF-UHFFFAOYSA-N 2 2 331.420 1.428 20 0 EDADLP C[C@H](CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000663592013 452317626 /nfs/dbraw/zinc/31/76/26/452317626.db2.gz PIBVZYRLIYBBCS-CABCVRRESA-N 2 2 349.479 1.446 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000638053914 452333142 /nfs/dbraw/zinc/33/31/42/452333142.db2.gz CBGOYYQWLRQZKO-FUHWJXTLSA-N 2 2 328.416 1.315 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657588516 452358220 /nfs/dbraw/zinc/35/82/20/452358220.db2.gz JCOFTSWVKZOESD-LBPRGKRZSA-N 2 2 331.420 1.428 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)C1CCCC1 ZINC000659542272 452401354 /nfs/dbraw/zinc/40/13/54/452401354.db2.gz KVFYMITUKLSOGE-INIZCTEOSA-N 2 2 331.464 1.999 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000659625500 452482932 /nfs/dbraw/zinc/48/29/32/452482932.db2.gz VDXXZQQTUFBFOT-LLVKDONJSA-N 2 2 335.374 1.960 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@H]1C ZINC000663758728 452487752 /nfs/dbraw/zinc/48/77/52/452487752.db2.gz ABFVPVYNWKKNKU-CABCVRRESA-N 2 2 333.480 1.747 20 0 EDADLP CC[N@H+]1C[C@H](C)N(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C[C@H]1C ZINC000663758728 452487758 /nfs/dbraw/zinc/48/77/58/452487758.db2.gz ABFVPVYNWKKNKU-CABCVRRESA-N 2 2 333.480 1.747 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000647764472 452497585 /nfs/dbraw/zinc/49/75/85/452497585.db2.gz ZMTFMPBMBVYBLA-AWEZNQCLSA-N 2 2 332.448 1.473 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000647764472 452497592 /nfs/dbraw/zinc/49/75/92/452497592.db2.gz ZMTFMPBMBVYBLA-AWEZNQCLSA-N 2 2 332.448 1.473 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000659647856 452509988 /nfs/dbraw/zinc/50/99/88/452509988.db2.gz XZULWSSHZYBCCA-LSDHHAIUSA-N 2 2 334.464 1.691 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663787996 452517476 /nfs/dbraw/zinc/51/74/76/452517476.db2.gz NCUMQFFQWLVCHA-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663787996 452517485 /nfs/dbraw/zinc/51/74/85/452517485.db2.gz NCUMQFFQWLVCHA-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663787996 452517492 /nfs/dbraw/zinc/51/74/92/452517492.db2.gz NCUMQFFQWLVCHA-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663787996 452517502 /nfs/dbraw/zinc/51/75/02/452517502.db2.gz NCUMQFFQWLVCHA-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000657798354 452534097 /nfs/dbraw/zinc/53/40/97/452534097.db2.gz JKHKLDRHSKCROP-IBGZPJMESA-N 2 2 341.503 1.943 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000657798354 452534104 /nfs/dbraw/zinc/53/41/04/452534104.db2.gz JKHKLDRHSKCROP-IBGZPJMESA-N 2 2 341.503 1.943 20 0 EDADLP C=Cn1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801585 452538990 /nfs/dbraw/zinc/53/89/90/452538990.db2.gz SOOHZIHNTHZDJL-LJQANCHMSA-N 2 2 325.460 1.889 20 0 EDADLP C=Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801585 452539012 /nfs/dbraw/zinc/53/90/12/452539012.db2.gz SOOHZIHNTHZDJL-LJQANCHMSA-N 2 2 325.460 1.889 20 0 EDADLP O=C(NCC1C[NH2+]C1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000640239701 452539353 /nfs/dbraw/zinc/53/93/53/452539353.db2.gz FSMDMKBRLMRJMN-IRXDYDNUSA-N 2 2 325.416 1.630 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nnnn2-c2ccccc2)C1 ZINC000652361689 452542570 /nfs/dbraw/zinc/54/25/70/452542570.db2.gz MLMDKZCRTBYOGQ-HYVNUMGLSA-N 2 2 342.447 1.523 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nnnn2-c2ccccc2)C1 ZINC000652361689 452542573 /nfs/dbraw/zinc/54/25/73/452542573.db2.gz MLMDKZCRTBYOGQ-HYVNUMGLSA-N 2 2 342.447 1.523 20 0 EDADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000652370741 452559971 /nfs/dbraw/zinc/55/99/71/452559971.db2.gz MTTKIJSPGPVCDS-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000652370741 452559977 /nfs/dbraw/zinc/55/99/77/452559977.db2.gz MTTKIJSPGPVCDS-MRXNPFEDSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000661767030 452561341 /nfs/dbraw/zinc/56/13/41/452561341.db2.gz IMKXXNPXVFPFAY-GOEBONIOSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000661767030 452561350 /nfs/dbraw/zinc/56/13/50/452561350.db2.gz IMKXXNPXVFPFAY-GOEBONIOSA-N 2 2 337.489 1.238 20 0 EDADLP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)n(C)n1 ZINC000655761903 452565260 /nfs/dbraw/zinc/56/52/60/452565260.db2.gz QNOKKNAXNCIEDG-MSOLQXFVSA-N 2 2 347.507 1.540 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000663848925 452576359 /nfs/dbraw/zinc/57/63/59/452576359.db2.gz ORTXVRVNIISSFM-IKGGRYGDSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000663848925 452576369 /nfs/dbraw/zinc/57/63/69/452576369.db2.gz ORTXVRVNIISSFM-IKGGRYGDSA-N 2 2 340.512 1.515 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)cc2[nH+]1 ZINC000657875298 452584135 /nfs/dbraw/zinc/58/41/35/452584135.db2.gz JDHUHXHLMYMQEZ-ZDUSSCGKSA-N 2 2 341.415 1.348 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)cc2[nH+]1 ZINC000657875298 452584140 /nfs/dbraw/zinc/58/41/40/452584140.db2.gz JDHUHXHLMYMQEZ-ZDUSSCGKSA-N 2 2 341.415 1.348 20 0 EDADLP Cc1cc(CO)cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)[nH+]1 ZINC000647854240 452586582 /nfs/dbraw/zinc/58/65/82/452586582.db2.gz GYCBJCAMEGRVHK-GOSISDBHSA-N 2 2 327.428 2.368 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000652411677 452603161 /nfs/dbraw/zinc/60/31/61/452603161.db2.gz CWCHLLPIHSRAJK-OAHLLOKOSA-N 2 2 347.463 1.060 20 0 EDADLP C[C@@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654559722 452642663 /nfs/dbraw/zinc/64/26/63/452642663.db2.gz KDLJXSXDBXOPCF-SOUVJXGZSA-N 2 2 349.479 1.516 20 0 EDADLP C[C@@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654559722 452642669 /nfs/dbraw/zinc/64/26/69/452642669.db2.gz KDLJXSXDBXOPCF-SOUVJXGZSA-N 2 2 349.479 1.516 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654571768 452656767 /nfs/dbraw/zinc/65/67/67/452656767.db2.gz OQWWNEKYACERJG-MELADBBJSA-N 2 2 336.436 1.387 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654571768 452656772 /nfs/dbraw/zinc/65/67/72/452656772.db2.gz OQWWNEKYACERJG-MELADBBJSA-N 2 2 336.436 1.387 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)cc2[nH+]1 ZINC000658043278 452700080 /nfs/dbraw/zinc/70/00/80/452700080.db2.gz MELDMYMGTKBXKD-UHFFFAOYSA-N 2 2 345.447 1.675 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)cc2[nH+]1 ZINC000658043278 452700084 /nfs/dbraw/zinc/70/00/84/452700084.db2.gz MELDMYMGTKBXKD-UHFFFAOYSA-N 2 2 345.447 1.675 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000647958366 452703648 /nfs/dbraw/zinc/70/36/48/452703648.db2.gz RKSCIDVFAAXOCC-DLBZAZTESA-N 2 2 349.523 1.885 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000647958366 452703657 /nfs/dbraw/zinc/70/36/57/452703657.db2.gz RKSCIDVFAAXOCC-DLBZAZTESA-N 2 2 349.523 1.885 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000647958366 452703668 /nfs/dbraw/zinc/70/36/68/452703668.db2.gz RKSCIDVFAAXOCC-DLBZAZTESA-N 2 2 349.523 1.885 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000647958366 452703674 /nfs/dbraw/zinc/70/36/74/452703674.db2.gz RKSCIDVFAAXOCC-DLBZAZTESA-N 2 2 349.523 1.885 20 0 EDADLP Cc1nsc(N2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000647965258 452711519 /nfs/dbraw/zinc/71/15/19/452711519.db2.gz OUTPXFPFZBNYHM-CQSZACIVSA-N 2 2 327.498 1.060 20 0 EDADLP Cc1nsc(N2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000647965258 452711525 /nfs/dbraw/zinc/71/15/25/452711525.db2.gz OUTPXFPFZBNYHM-CQSZACIVSA-N 2 2 327.498 1.060 20 0 EDADLP Cc1nsc(N2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000647965258 452711532 /nfs/dbraw/zinc/71/15/32/452711532.db2.gz OUTPXFPFZBNYHM-CQSZACIVSA-N 2 2 327.498 1.060 20 0 EDADLP Cc1nsc(N2CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000647965258 452711537 /nfs/dbraw/zinc/71/15/37/452711537.db2.gz OUTPXFPFZBNYHM-CQSZACIVSA-N 2 2 327.498 1.060 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659823547 452714085 /nfs/dbraw/zinc/71/40/85/452714085.db2.gz HZXKYIONDHPLER-QZTJIDSGSA-N 2 2 338.540 1.450 20 0 EDADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658106613 452728085 /nfs/dbraw/zinc/72/80/85/452728085.db2.gz JKJOCSBWRGMGJN-FUHWJXTLSA-N 3 2 326.529 1.101 20 0 EDADLP Oc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC[NH+]3CCOCC3)CC1)CC2 ZINC000658241880 452803545 /nfs/dbraw/zinc/80/35/45/452803545.db2.gz XENCXAJZUGVRMU-FQEVSTJZSA-N 2 2 345.487 1.766 20 0 EDADLP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCN3CCOCC3)CC1)CC2 ZINC000658241880 452803547 /nfs/dbraw/zinc/80/35/47/452803547.db2.gz XENCXAJZUGVRMU-FQEVSTJZSA-N 2 2 345.487 1.766 20 0 EDADLP C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1[nH+]ccn1C ZINC000662091922 452833941 /nfs/dbraw/zinc/83/39/41/452833941.db2.gz DRDFGNCKXOVTHA-AWEZNQCLSA-N 2 2 335.452 1.235 20 0 EDADLP Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000658333902 452850730 /nfs/dbraw/zinc/85/07/30/452850730.db2.gz VGTUKYZCDKQEFS-HNNXBMFYSA-N 2 2 348.491 1.630 20 0 EDADLP Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000658333902 452850740 /nfs/dbraw/zinc/85/07/40/452850740.db2.gz VGTUKYZCDKQEFS-HNNXBMFYSA-N 2 2 348.491 1.630 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C(C)(C)CO ZINC000664183620 452853566 /nfs/dbraw/zinc/85/35/66/452853566.db2.gz UGASIDUILSFMRR-LSDHHAIUSA-N 2 2 349.479 1.263 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)CO ZINC000664183620 452853580 /nfs/dbraw/zinc/85/35/80/452853580.db2.gz UGASIDUILSFMRR-LSDHHAIUSA-N 2 2 349.479 1.263 20 0 EDADLP COc1cccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1C ZINC000658352640 452858994 /nfs/dbraw/zinc/85/89/94/452858994.db2.gz JAEVLKCSPNTYLX-UHFFFAOYSA-N 2 2 347.503 1.890 20 0 EDADLP COc1cccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1C ZINC000658352640 452859000 /nfs/dbraw/zinc/85/90/00/452859000.db2.gz JAEVLKCSPNTYLX-UHFFFAOYSA-N 2 2 347.503 1.890 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)Cc2ccccc2C1 ZINC000648149630 452861347 /nfs/dbraw/zinc/86/13/47/452861347.db2.gz WGQDNLHLWRLIMA-UHFFFAOYSA-N 2 2 336.439 1.222 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654738393 452868166 /nfs/dbraw/zinc/86/81/66/452868166.db2.gz OKJJPRXKBNICDC-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654738393 452868175 /nfs/dbraw/zinc/86/81/75/452868175.db2.gz OKJJPRXKBNICDC-HOTGVXAUSA-N 2 2 338.496 1.413 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000648173973 452884476 /nfs/dbraw/zinc/88/44/76/452884476.db2.gz LPXSUMPPZCJRGT-OAHLLOKOSA-N 2 2 347.850 1.859 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648172608 452885601 /nfs/dbraw/zinc/88/56/01/452885601.db2.gz JVWHQUMWILNWTI-RHMLRGBNSA-N 2 2 337.464 1.584 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648172608 452885608 /nfs/dbraw/zinc/88/56/08/452885608.db2.gz JVWHQUMWILNWTI-RHMLRGBNSA-N 2 2 337.464 1.584 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000664217292 452892713 /nfs/dbraw/zinc/89/27/13/452892713.db2.gz CXAGOWCMMDJUFT-MJGOQNOKSA-N 2 2 332.492 1.899 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000664217292 452892720 /nfs/dbraw/zinc/89/27/20/452892720.db2.gz CXAGOWCMMDJUFT-MJGOQNOKSA-N 2 2 332.492 1.899 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654774009 452906426 /nfs/dbraw/zinc/90/64/26/452906426.db2.gz RBMIQSZFXCWTTA-PBHICJAKSA-N 3 2 333.480 1.215 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654774009 452906432 /nfs/dbraw/zinc/90/64/32/452906432.db2.gz RBMIQSZFXCWTTA-PBHICJAKSA-N 3 2 333.480 1.215 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCCOCCF)([NH+]2CCCCC2)CC1 ZINC000662171477 452908113 /nfs/dbraw/zinc/90/81/13/452908113.db2.gz LEFHXUYEUZOMSL-UHFFFAOYSA-N 2 2 344.475 1.222 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCn3c(nnc3C(C)(C)C)C2)CC1 ZINC000662238693 452967623 /nfs/dbraw/zinc/96/76/23/452967623.db2.gz ULTXMHSMUHXJNH-UHFFFAOYSA-N 2 2 348.539 1.807 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCn3c(nnc3C(C)(C)C)C2)CC1 ZINC000662238693 452967632 /nfs/dbraw/zinc/96/76/32/452967632.db2.gz ULTXMHSMUHXJNH-UHFFFAOYSA-N 2 2 348.539 1.807 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ncsc2Br)C1 ZINC000662243115 452970684 /nfs/dbraw/zinc/97/06/84/452970684.db2.gz LXUVFAYCLRAEIN-VIFPVBQESA-N 2 2 347.282 1.193 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ncsc2Br)C1 ZINC000662243115 452970688 /nfs/dbraw/zinc/97/06/88/452970688.db2.gz LXUVFAYCLRAEIN-VIFPVBQESA-N 2 2 347.282 1.193 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1)Nc1ccccc1 ZINC000662251510 452978165 /nfs/dbraw/zinc/97/81/65/452978165.db2.gz GHEKKFDZPQPCQW-IRXDYDNUSA-N 2 2 332.448 1.651 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1)Nc1ccccc1 ZINC000662251510 452978170 /nfs/dbraw/zinc/97/81/70/452978170.db2.gz GHEKKFDZPQPCQW-IRXDYDNUSA-N 2 2 332.448 1.651 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761123 452978366 /nfs/dbraw/zinc/97/83/66/452978366.db2.gz SMRCPJONARCDAD-AAEUAGOBSA-N 2 2 328.359 1.907 20 0 EDADLP CCOc1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)nn1 ZINC000662252156 452978432 /nfs/dbraw/zinc/97/84/32/452978432.db2.gz JJICQVOOSNSDGK-UHFFFAOYSA-N 2 2 333.480 1.873 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000664331437 453006412 /nfs/dbraw/zinc/00/64/12/453006412.db2.gz RDJRWGQEPICYGC-UHFFFAOYSA-N 2 2 346.435 1.742 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(-c2ncon2)cc1 ZINC000664331437 453006422 /nfs/dbraw/zinc/00/64/22/453006422.db2.gz RDJRWGQEPICYGC-UHFFFAOYSA-N 2 2 346.435 1.742 20 0 EDADLP C[C@@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccc2c(c1)CCCC2 ZINC000662285362 453010212 /nfs/dbraw/zinc/01/02/12/453010212.db2.gz CVGVIPIVGIDWPI-OAHLLOKOSA-N 2 2 345.487 1.447 20 0 EDADLP COc1cc(F)cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000648452151 453096321 /nfs/dbraw/zinc/09/63/21/453096321.db2.gz IXYHEHNDAGADMR-QGZVFWFLSA-N 2 2 337.439 1.330 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102952 453103964 /nfs/dbraw/zinc/10/39/64/453103964.db2.gz YKFMMWIWUQHKJS-SJORKVTESA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102952 453103969 /nfs/dbraw/zinc/10/39/69/453103969.db2.gz YKFMMWIWUQHKJS-SJORKVTESA-N 2 2 337.508 1.963 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1C1CCOCC1 ZINC000662428598 453137695 /nfs/dbraw/zinc/13/76/95/453137695.db2.gz KDNWLGPHMQLXFY-INIZCTEOSA-N 2 2 334.464 1.171 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1C1CCOCC1 ZINC000662428598 453137699 /nfs/dbraw/zinc/13/76/99/453137699.db2.gz KDNWLGPHMQLXFY-INIZCTEOSA-N 2 2 334.464 1.171 20 0 EDADLP C[C@H](CO)[C@@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664536991 453176645 /nfs/dbraw/zinc/17/66/45/453176645.db2.gz BQFKOSQFICJHJK-WBVHZDCISA-N 2 2 340.512 1.205 20 0 EDADLP CN(CC[NH+]1CCCCC1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000652989694 453179137 /nfs/dbraw/zinc/17/91/37/453179137.db2.gz QJLWEVJXOMGDQD-UHFFFAOYSA-N 2 2 345.491 1.148 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[N@@H+]1C ZINC000648716509 453205558 /nfs/dbraw/zinc/20/55/58/453205558.db2.gz RAAGQIGOEPSWIA-SJLPKXTDSA-N 2 2 331.460 1.550 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[N@H+]1C ZINC000648716509 453205566 /nfs/dbraw/zinc/20/55/66/453205566.db2.gz RAAGQIGOEPSWIA-SJLPKXTDSA-N 2 2 331.460 1.550 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000660318322 453210664 /nfs/dbraw/zinc/21/06/64/453210664.db2.gz ZWXWSJDKCCHMJZ-HNNXBMFYSA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000660318322 453210671 /nfs/dbraw/zinc/21/06/71/453210671.db2.gz ZWXWSJDKCCHMJZ-HNNXBMFYSA-N 2 2 333.480 1.934 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCN1CC[NH+](CC)CC1 ZINC000648733260 453221004 /nfs/dbraw/zinc/22/10/04/453221004.db2.gz KDJYPJJCEMYGJX-MRXNPFEDSA-N 2 2 335.496 1.540 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000648733260 453221010 /nfs/dbraw/zinc/22/10/10/453221010.db2.gz KDJYPJJCEMYGJX-MRXNPFEDSA-N 2 2 335.496 1.540 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000662504596 453221315 /nfs/dbraw/zinc/22/13/15/453221315.db2.gz YCBYIKSBIKHFFC-KRWDZBQOSA-N 2 2 335.448 1.216 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000662504597 453221981 /nfs/dbraw/zinc/22/19/81/453221981.db2.gz YCBYIKSBIKHFFC-QGZVFWFLSA-N 2 2 335.448 1.216 20 0 EDADLP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000648749797 453231574 /nfs/dbraw/zinc/23/15/74/453231574.db2.gz VCKJYTOCYBOPIR-CRAIPNDOSA-N 2 2 330.476 1.713 20 0 EDADLP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@H+]1C ZINC000648749797 453231582 /nfs/dbraw/zinc/23/15/82/453231582.db2.gz VCKJYTOCYBOPIR-CRAIPNDOSA-N 2 2 330.476 1.713 20 0 EDADLP C[C@H]1CCn2ncc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000648780627 453262046 /nfs/dbraw/zinc/26/20/46/453262046.db2.gz SLOJKXVKRZPBOK-LSDHHAIUSA-N 2 2 345.491 1.364 20 0 EDADLP C[C@H]1CCn2ncc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2C1 ZINC000648780627 453262056 /nfs/dbraw/zinc/26/20/56/453262056.db2.gz SLOJKXVKRZPBOK-LSDHHAIUSA-N 2 2 345.491 1.364 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000653084014 453263881 /nfs/dbraw/zinc/26/38/81/453263881.db2.gz ROVKFCOBCSMVAC-KWCYVHTRSA-N 2 2 329.366 1.957 20 0 EDADLP COc1ccccc1-c1noc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653102319 453284550 /nfs/dbraw/zinc/28/45/50/453284550.db2.gz VIYWKHUWZBIEJB-AAEUAGOBSA-N 2 2 347.419 1.201 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000653105082 453285849 /nfs/dbraw/zinc/28/58/49/453285849.db2.gz FBCUFMPKONQVRN-CYBMUJFWSA-N 2 2 347.488 1.224 20 0 EDADLP Cc1cc(-c2noc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)n2)ccc1F ZINC000653104765 453286316 /nfs/dbraw/zinc/28/63/16/453286316.db2.gz UFWGFXVNBPEGEA-SMDDNHRTSA-N 2 2 349.410 1.640 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653108655 453293732 /nfs/dbraw/zinc/29/37/32/453293732.db2.gz CSNRMHKHGPZMGY-QFBILLFUSA-N 3 2 346.519 1.814 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653108655 453293736 /nfs/dbraw/zinc/29/37/36/453293736.db2.gz CSNRMHKHGPZMGY-QFBILLFUSA-N 3 2 346.519 1.814 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662568835 453296703 /nfs/dbraw/zinc/29/67/03/453296703.db2.gz VLZMRISBWOYWLM-JSGCOSHPSA-N 2 2 344.228 1.609 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000653120219 453310892 /nfs/dbraw/zinc/31/08/92/453310892.db2.gz KFPOOHXOMJMCMG-ZDUSSCGKSA-N 2 2 338.415 1.842 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660467482 453328733 /nfs/dbraw/zinc/32/87/33/453328733.db2.gz GOMFEMZYVPWQOV-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660467482 453328738 /nfs/dbraw/zinc/32/87/38/453328738.db2.gz GOMFEMZYVPWQOV-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646338321 453329617 /nfs/dbraw/zinc/32/96/17/453329617.db2.gz ITYFATNWWSAJQA-AEFFLSMTSA-N 2 2 329.444 1.343 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000660470903 453331583 /nfs/dbraw/zinc/33/15/83/453331583.db2.gz YZESUFXNHAIZRS-UHFFFAOYSA-N 2 2 331.395 1.714 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)CC[N@@H+]1C ZINC000648869246 453346060 /nfs/dbraw/zinc/34/60/60/453346060.db2.gz LUEFOGZLMKYWAO-RBSFLKMASA-N 2 2 332.448 1.468 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)CC[N@H+]1C ZINC000648869246 453346069 /nfs/dbraw/zinc/34/60/69/453346069.db2.gz LUEFOGZLMKYWAO-RBSFLKMASA-N 2 2 332.448 1.468 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000644379079 453376221 /nfs/dbraw/zinc/37/62/21/453376221.db2.gz KBEROIHOCPJJAN-LJQANCHMSA-N 2 2 342.443 1.752 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000644379079 453376231 /nfs/dbraw/zinc/37/62/31/453376231.db2.gz KBEROIHOCPJJAN-LJQANCHMSA-N 2 2 342.443 1.752 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648926382 453401757 /nfs/dbraw/zinc/40/17/57/453401757.db2.gz MLSKKMAPHFHAGK-GJZGRUSLSA-N 2 2 332.448 1.134 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648926382 453401767 /nfs/dbraw/zinc/40/17/67/453401767.db2.gz MLSKKMAPHFHAGK-GJZGRUSLSA-N 2 2 332.448 1.134 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc2[nH]ccc2c1 ZINC000664819391 453426491 /nfs/dbraw/zinc/42/64/91/453426491.db2.gz KYDDDPPOEHGZIM-UHFFFAOYSA-N 2 2 345.491 1.893 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc2[nH]ccc2c1 ZINC000664819391 453426496 /nfs/dbraw/zinc/42/64/96/453426496.db2.gz KYDDDPPOEHGZIM-UHFFFAOYSA-N 2 2 345.491 1.893 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000646500377 453445709 /nfs/dbraw/zinc/44/57/09/453445709.db2.gz LFKZGENRJVXXQU-HOCLYGCPSA-N 2 2 345.472 1.518 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000646500377 453445728 /nfs/dbraw/zinc/44/57/28/453445728.db2.gz LFKZGENRJVXXQU-HOCLYGCPSA-N 2 2 345.472 1.518 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654183 453490985 /nfs/dbraw/zinc/49/09/85/453490985.db2.gz YGQNNNPPXDWIDX-HXUWFJFHSA-N 2 2 345.487 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654183 453490993 /nfs/dbraw/zinc/49/09/93/453490993.db2.gz YGQNNNPPXDWIDX-HXUWFJFHSA-N 2 2 345.487 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654183 453491000 /nfs/dbraw/zinc/49/10/00/453491000.db2.gz YGQNNNPPXDWIDX-HXUWFJFHSA-N 2 2 345.487 1.772 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654183 453491010 /nfs/dbraw/zinc/49/10/10/453491010.db2.gz YGQNNNPPXDWIDX-HXUWFJFHSA-N 2 2 345.487 1.772 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662760481 453498049 /nfs/dbraw/zinc/49/80/49/453498049.db2.gz WPRQGHXYCJJPAY-OAHLLOKOSA-N 2 2 328.460 1.948 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)on1 ZINC000662773535 453509180 /nfs/dbraw/zinc/50/91/80/453509180.db2.gz VCTXWJQBSBUWAD-UHFFFAOYSA-N 2 2 341.375 1.365 20 0 EDADLP Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)nc(-c2ccncc2)[nH+]1 ZINC000651383530 453522551 /nfs/dbraw/zinc/52/25/51/453522551.db2.gz CNQBLXWWOONWSE-UHFFFAOYSA-N 2 2 340.431 1.057 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662789694 453524461 /nfs/dbraw/zinc/52/44/61/453524461.db2.gz BQQJWYLURYQNKV-MRXNPFEDSA-N 2 2 349.385 1.043 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444305 453532610 /nfs/dbraw/zinc/53/26/10/453532610.db2.gz AHFPXDHWFHDYRN-QWFCFKBJSA-N 2 2 343.471 1.566 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832041 453558189 /nfs/dbraw/zinc/55/81/89/453558189.db2.gz IBUXGZKUJLLDIR-OVZMXSCWSA-N 2 2 341.402 1.579 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662832041 453558193 /nfs/dbraw/zinc/55/81/93/453558193.db2.gz IBUXGZKUJLLDIR-OVZMXSCWSA-N 2 2 341.402 1.579 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850087 453570493 /nfs/dbraw/zinc/57/04/93/453570493.db2.gz MYAGEWPNHNQMDR-KURKYZTESA-N 2 2 329.444 1.240 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850087 453570499 /nfs/dbraw/zinc/57/04/99/453570499.db2.gz MYAGEWPNHNQMDR-KURKYZTESA-N 2 2 329.444 1.240 20 0 EDADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2c[nH+]c(C)[nH]2)cc1 ZINC000662867464 453579616 /nfs/dbraw/zinc/57/96/16/453579616.db2.gz ZMVFOGUUJOBKJY-HOTGVXAUSA-N 2 2 328.416 1.992 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000659019153 453583770 /nfs/dbraw/zinc/58/37/70/453583770.db2.gz OCKHYGUTKFXLRM-UHFFFAOYSA-N 2 2 346.475 1.982 20 0 EDADLP CN(C(=O)Cc1cccc(N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899026 453594423 /nfs/dbraw/zinc/59/44/23/453594423.db2.gz ALHRZJZHBRUNMH-SFHVURJKSA-N 2 2 330.476 1.438 20 0 EDADLP CN(C(=O)Cc1cccc(N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899026 453594427 /nfs/dbraw/zinc/59/44/27/453594427.db2.gz ALHRZJZHBRUNMH-SFHVURJKSA-N 2 2 330.476 1.438 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000665285116 453635680 /nfs/dbraw/zinc/63/56/80/453635680.db2.gz CXYSKQGVKKYTFZ-XRXFAXGQSA-N 3 2 342.531 1.780 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000665285116 453635681 /nfs/dbraw/zinc/63/56/81/453635681.db2.gz CXYSKQGVKKYTFZ-XRXFAXGQSA-N 3 2 342.531 1.780 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000660948560 453658363 /nfs/dbraw/zinc/65/83/63/453658363.db2.gz BBICDVXCOABLCD-LSDHHAIUSA-N 2 2 331.464 1.832 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000660948560 453658366 /nfs/dbraw/zinc/65/83/66/453658366.db2.gz BBICDVXCOABLCD-LSDHHAIUSA-N 2 2 331.464 1.832 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661043649 453692291 /nfs/dbraw/zinc/69/22/91/453692291.db2.gz CJWZTBVERKZZKQ-CVEARBPZSA-N 2 2 331.464 1.619 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661043649 453692296 /nfs/dbraw/zinc/69/22/96/453692296.db2.gz CJWZTBVERKZZKQ-CVEARBPZSA-N 2 2 331.464 1.619 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000663237229 453742417 /nfs/dbraw/zinc/74/24/17/453742417.db2.gz GYXYQUNLGPGSSE-HNNXBMFYSA-N 2 2 335.452 1.025 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cccc(F)c1 ZINC000663303234 453762956 /nfs/dbraw/zinc/76/29/56/453762956.db2.gz COFLGFKXSBVPGJ-CXAGYDPISA-N 2 2 335.423 1.996 20 0 EDADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cc2)CC1 ZINC000657319018 453764688 /nfs/dbraw/zinc/76/46/88/453764688.db2.gz ZRRWEKQILZGLIM-UHFFFAOYSA-N 2 2 339.487 1.867 20 0 EDADLP CCOc1nccc(C)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683408837 486709661 /nfs/dbraw/zinc/70/96/61/486709661.db2.gz JCIIYQONPCCNCB-HNNXBMFYSA-N 2 2 346.475 1.687 20 0 EDADLP CCOc1nccc(C)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683408837 486709666 /nfs/dbraw/zinc/70/96/66/486709666.db2.gz JCIIYQONPCCNCB-HNNXBMFYSA-N 2 2 346.475 1.687 20 0 EDADLP C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672458110 486713021 /nfs/dbraw/zinc/71/30/21/486713021.db2.gz IPGVNIIVVXYNQZ-YQQAZPJKSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNc2nc(N3CCOCC3)cc[nH+]2)C[C@H](C)O1 ZINC000676306152 486730405 /nfs/dbraw/zinc/73/04/05/486730405.db2.gz ZPZCXPWSDVZZOG-GASCZTMLSA-N 2 2 349.479 1.613 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNc2nc(N3CCOCC3)cc[nH+]2)C[C@H](C)O1 ZINC000676306152 486730408 /nfs/dbraw/zinc/73/04/08/486730408.db2.gz ZPZCXPWSDVZZOG-GASCZTMLSA-N 2 2 349.479 1.613 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)c2nc(N3CCOCC3)cc[nH+]2)c1C ZINC000676309368 486731795 /nfs/dbraw/zinc/73/17/95/486731795.db2.gz RBABUILWBSTVGW-UHFFFAOYSA-N 2 2 343.431 1.970 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000573722828 486741058 /nfs/dbraw/zinc/74/10/58/486741058.db2.gz IETNBSSFUWNQRH-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000573722828 486741061 /nfs/dbraw/zinc/74/10/61/486741061.db2.gz IETNBSSFUWNQRH-ROUUACIJSA-N 2 2 336.476 1.480 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000672624711 486748349 /nfs/dbraw/zinc/74/83/49/486748349.db2.gz LGUFSEILPSULDI-AWEZNQCLSA-N 2 2 347.463 1.146 20 0 EDADLP COCCNC(=O)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680327259 486751912 /nfs/dbraw/zinc/75/19/12/486751912.db2.gz YPGYKMCOESYGLF-UHFFFAOYSA-N 2 2 348.472 1.908 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)CC1 ZINC000676698751 486845402 /nfs/dbraw/zinc/84/54/02/486845402.db2.gz PNSRWBBUSUXXQD-APWZRJJASA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)CC1 ZINC000676698751 486845405 /nfs/dbraw/zinc/84/54/05/486845405.db2.gz PNSRWBBUSUXXQD-APWZRJJASA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000676698751 486845408 /nfs/dbraw/zinc/84/54/08/486845408.db2.gz PNSRWBBUSUXXQD-APWZRJJASA-N 3 2 348.535 1.678 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000676698751 486845411 /nfs/dbraw/zinc/84/54/11/486845411.db2.gz PNSRWBBUSUXXQD-APWZRJJASA-N 3 2 348.535 1.678 20 0 EDADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000667606665 486872795 /nfs/dbraw/zinc/87/27/95/486872795.db2.gz KEXPIJJLWKGKKZ-MRXNPFEDSA-N 2 2 346.475 1.476 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000667606665 486872801 /nfs/dbraw/zinc/87/28/01/486872801.db2.gz KEXPIJJLWKGKKZ-MRXNPFEDSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(C)(C)C[NH+](C)C ZINC000673225732 486957991 /nfs/dbraw/zinc/95/79/91/486957991.db2.gz QSKXVCMLJCYQIU-CABCVRRESA-N 2 2 349.479 1.139 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667790843 486965355 /nfs/dbraw/zinc/96/53/55/486965355.db2.gz DUMVPZAWQKVGCG-UHFFFAOYSA-N 2 2 340.431 1.624 20 0 EDADLP CC(C)OCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681211619 486975764 /nfs/dbraw/zinc/97/57/64/486975764.db2.gz ACQDVFMZZIPIPC-KRWDZBQOSA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)OCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681211619 486975769 /nfs/dbraw/zinc/97/57/69/486975769.db2.gz ACQDVFMZZIPIPC-KRWDZBQOSA-N 2 2 340.512 1.611 20 0 EDADLP CN(C(=O)N[C@@H]1CCCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217586 486976866 /nfs/dbraw/zinc/97/68/66/486976866.db2.gz RMUNIUHDBFVLTM-ZBFHGGJFSA-N 2 2 340.537 1.692 20 0 EDADLP CN(C(=O)N[C@@H]1CCCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217586 486976871 /nfs/dbraw/zinc/97/68/71/486976871.db2.gz RMUNIUHDBFVLTM-ZBFHGGJFSA-N 2 2 340.537 1.692 20 0 EDADLP COC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000681217773 486977176 /nfs/dbraw/zinc/97/71/76/486977176.db2.gz XCEJNNPECZPAIP-SJORKVTESA-N 2 2 338.496 1.221 20 0 EDADLP COC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000681217773 486977180 /nfs/dbraw/zinc/97/71/80/486977180.db2.gz XCEJNNPECZPAIP-SJORKVTESA-N 2 2 338.496 1.221 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000321194293 486984533 /nfs/dbraw/zinc/98/45/33/486984533.db2.gz GLNWHRFFNKQFAY-RRFJBIMHSA-N 2 2 337.489 1.613 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000677329642 487046505 /nfs/dbraw/zinc/04/65/05/487046505.db2.gz RNVVUCQDIIKHPA-QGZVFWFLSA-N 2 2 339.443 1.935 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)o1 ZINC000684482403 487074424 /nfs/dbraw/zinc/07/44/24/487074424.db2.gz QDUHDBJCLBKVOR-HUUCEWRRSA-N 2 2 337.464 1.649 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)o1 ZINC000684482403 487074428 /nfs/dbraw/zinc/07/44/28/487074428.db2.gz QDUHDBJCLBKVOR-HUUCEWRRSA-N 2 2 337.464 1.649 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000681551198 487083836 /nfs/dbraw/zinc/08/38/36/487083836.db2.gz CSHFXKGZZGXFBP-AWEZNQCLSA-N 2 2 330.457 1.682 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000681551198 487083841 /nfs/dbraw/zinc/08/38/41/487083841.db2.gz CSHFXKGZZGXFBP-AWEZNQCLSA-N 2 2 330.457 1.682 20 0 EDADLP Cc1cn2ccc(NC(=O)N[C@H](C)[C@@H](C)[NH+]3CCOCC3)cc2[nH+]1 ZINC000668154902 487122240 /nfs/dbraw/zinc/12/22/40/487122240.db2.gz ZNSOWSWFOGCHAM-ZIAGYGMSSA-N 2 2 331.420 1.873 20 0 EDADLP C[C@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000673862751 487136650 /nfs/dbraw/zinc/13/66/50/487136650.db2.gz GERZTQWFKRCNPJ-KBPBESRZSA-N 2 2 344.419 1.498 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@@H]3CCC[N@@H+]3CCCO)cc2[nH+]1 ZINC000668165087 487127675 /nfs/dbraw/zinc/12/76/75/487127675.db2.gz LTVHUKPZYQACGX-HNNXBMFYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cn2ccc(NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)cc2[nH+]1 ZINC000668165087 487127680 /nfs/dbraw/zinc/12/76/80/487127680.db2.gz LTVHUKPZYQACGX-HNNXBMFYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cccn2c(C[NH2+][C@@H]3CCN(C4CCOCC4)C3=O)c[nH+]c12 ZINC000673885628 487147197 /nfs/dbraw/zinc/14/71/97/487147197.db2.gz JGVAXGRMJXBVIN-MRXNPFEDSA-N 2 2 328.416 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000684844376 487175402 /nfs/dbraw/zinc/17/54/02/487175402.db2.gz KIYRXXQBPWJKIT-IBGZPJMESA-N 2 2 344.459 1.514 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccncc1 ZINC000674189162 487213630 /nfs/dbraw/zinc/21/36/30/487213630.db2.gz LQUYDIZBLDJJQK-OAHLLOKOSA-N 2 2 333.480 1.510 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCCN(C)S(C)(=O)=O)n1-c1ccccc1 ZINC000674487641 487266402 /nfs/dbraw/zinc/26/64/02/487266402.db2.gz UZGWAHNRUIZBHR-UHFFFAOYSA-N 2 2 336.461 1.552 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2cnc(C)nc2C)CC1 ZINC000682072409 487298234 /nfs/dbraw/zinc/29/82/34/487298234.db2.gz JTLTVSFNWJESTQ-OAHLLOKOSA-N 2 2 333.480 1.640 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000674695402 487300321 /nfs/dbraw/zinc/30/03/21/487300321.db2.gz KNGBMUMJNBIPJS-RHSMWYFYSA-N 2 2 328.460 1.927 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C[N@H+]1C1CC1 ZINC000674695402 487300323 /nfs/dbraw/zinc/30/03/23/487300323.db2.gz KNGBMUMJNBIPJS-RHSMWYFYSA-N 2 2 328.460 1.927 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000682238702 487327950 /nfs/dbraw/zinc/32/79/50/487327950.db2.gz OKLRYQVXCFIZQP-AWEZNQCLSA-N 2 2 342.443 1.977 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)c1 ZINC000682829971 487419250 /nfs/dbraw/zinc/41/92/50/487419250.db2.gz IQUSPHRNGWJTIL-UHFFFAOYSA-N 2 2 329.404 1.105 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000675821611 487447667 /nfs/dbraw/zinc/44/76/67/487447667.db2.gz KDEPSKVYLYXWBQ-GDBMZVCRSA-N 2 2 346.479 1.255 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000675821611 487447668 /nfs/dbraw/zinc/44/76/68/487447668.db2.gz KDEPSKVYLYXWBQ-GDBMZVCRSA-N 2 2 346.479 1.255 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000675821615 487447765 /nfs/dbraw/zinc/44/77/65/487447765.db2.gz KDEPSKVYLYXWBQ-ZBFHGGJFSA-N 2 2 346.479 1.255 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCCc4c[nH]nc43)C2)CC1 ZINC000675821615 487447767 /nfs/dbraw/zinc/44/77/67/487447767.db2.gz KDEPSKVYLYXWBQ-ZBFHGGJFSA-N 2 2 346.479 1.255 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)c1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000683189468 487458788 /nfs/dbraw/zinc/45/87/88/487458788.db2.gz FSTAPOXUKNCNHB-UHFFFAOYSA-N 2 2 337.431 1.741 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(C(F)F)CC3)C2)CC1 ZINC000675990586 487463876 /nfs/dbraw/zinc/46/38/76/487463876.db2.gz VNLNGCPAZNGCLD-CQSZACIVSA-N 2 2 344.450 1.842 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(C(F)F)CC3)C2)CC1 ZINC000675990586 487463877 /nfs/dbraw/zinc/46/38/77/487463877.db2.gz VNLNGCPAZNGCLD-CQSZACIVSA-N 2 2 344.450 1.842 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCOC(C)(C)C ZINC000676043261 487468388 /nfs/dbraw/zinc/46/83/88/487468388.db2.gz XKCUIGXAQJCOMV-MRXNPFEDSA-N 2 2 348.491 1.866 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCOC(C)(C)C ZINC000676043261 487468389 /nfs/dbraw/zinc/46/83/89/487468389.db2.gz XKCUIGXAQJCOMV-MRXNPFEDSA-N 2 2 348.491 1.866 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCc1ccc(F)cc1 ZINC000324189785 485510903 /nfs/dbraw/zinc/51/09/03/485510903.db2.gz JYHBYXVOZPTCND-FUHWJXTLSA-N 2 2 333.451 1.948 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCc1ccc(F)cc1 ZINC000324189785 485510908 /nfs/dbraw/zinc/51/09/08/485510908.db2.gz JYHBYXVOZPTCND-FUHWJXTLSA-N 2 2 333.451 1.948 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000324404372 485555981 /nfs/dbraw/zinc/55/59/81/485555981.db2.gz UDPFJOADWIDANR-ZFWWWQNUSA-N 2 2 331.416 1.818 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000324404372 485555988 /nfs/dbraw/zinc/55/59/88/485555988.db2.gz UDPFJOADWIDANR-ZFWWWQNUSA-N 2 2 331.416 1.818 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986430 485611334 /nfs/dbraw/zinc/61/13/34/485611334.db2.gz UEDSDIWAINVEOF-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986430 485611339 /nfs/dbraw/zinc/61/13/39/485611339.db2.gz UEDSDIWAINVEOF-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)c1nnc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000669603547 485685567 /nfs/dbraw/zinc/68/55/67/485685567.db2.gz DJWNHUXGWBCIJD-LBPRGKRZSA-N 2 2 337.493 1.560 20 0 EDADLP CC(C)c1nnc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000669603547 485685571 /nfs/dbraw/zinc/68/55/71/485685571.db2.gz DJWNHUXGWBCIJD-LBPRGKRZSA-N 2 2 337.493 1.560 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668406431 485710673 /nfs/dbraw/zinc/71/06/73/485710673.db2.gz URMXCDVNFSMAFV-AWEZNQCLSA-N 2 2 327.432 1.500 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668406431 485710678 /nfs/dbraw/zinc/71/06/78/485710678.db2.gz URMXCDVNFSMAFV-AWEZNQCLSA-N 2 2 327.432 1.500 20 0 EDADLP C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)CC1C[NH+](C)C1 ZINC000668540160 485865993 /nfs/dbraw/zinc/86/59/93/485865993.db2.gz YFDAFYMDLDNGMW-UHFFFAOYSA-N 2 2 331.460 1.585 20 0 EDADLP C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)CC1C[NH+](C)C1 ZINC000668540160 485865999 /nfs/dbraw/zinc/86/59/99/485865999.db2.gz YFDAFYMDLDNGMW-UHFFFAOYSA-N 2 2 331.460 1.585 20 0 EDADLP CCc1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000668618951 485960670 /nfs/dbraw/zinc/96/06/70/485960670.db2.gz WKFXOHROXPOLKQ-LJQANCHMSA-N 2 2 344.503 1.813 20 0 EDADLP CCc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000668618951 485960677 /nfs/dbraw/zinc/96/06/77/485960677.db2.gz WKFXOHROXPOLKQ-LJQANCHMSA-N 2 2 344.503 1.813 20 0 EDADLP CN(C(=O)[C@H]1CCCCS1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679985303 486237983 /nfs/dbraw/zinc/23/79/83/486237983.db2.gz WSTYFYUSVGQSPM-HZPDHXFCSA-N 2 2 325.522 1.899 20 0 EDADLP CN(C(=O)[C@H]1CCCCS1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679985303 486237986 /nfs/dbraw/zinc/23/79/86/486237986.db2.gz WSTYFYUSVGQSPM-HZPDHXFCSA-N 2 2 325.522 1.899 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000670079299 486604768 /nfs/dbraw/zinc/60/47/68/486604768.db2.gz IEUMUBSAUUZIEL-RDJZCZTQSA-N 2 2 347.463 1.069 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670082013 486607565 /nfs/dbraw/zinc/60/75/65/486607565.db2.gz MFIQALJMZUJKGH-CQSZACIVSA-N 2 2 335.452 1.048 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670082013 486607568 /nfs/dbraw/zinc/60/75/68/486607568.db2.gz MFIQALJMZUJKGH-CQSZACIVSA-N 2 2 335.452 1.048 20 0 EDADLP Cc1nc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)c(Br)c(C)[nH+]1 ZINC000404111428 486637304 /nfs/dbraw/zinc/63/73/04/486637304.db2.gz AUGVZEHNJBSDAV-QWRGUYRKSA-N 2 2 327.226 1.423 20 0 EDADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092042618 491201307 /nfs/dbraw/zinc/20/13/07/491201307.db2.gz PUNAGOXYCYTYIM-APWZRJJASA-N 2 2 334.460 1.743 20 0 EDADLP C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092042618 491201309 /nfs/dbraw/zinc/20/13/09/491201309.db2.gz PUNAGOXYCYTYIM-APWZRJJASA-N 2 2 334.460 1.743 20 0 EDADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000133082996 491219450 /nfs/dbraw/zinc/21/94/50/491219450.db2.gz YUHPCTOJSCIFKY-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133082996 491219454 /nfs/dbraw/zinc/21/94/54/491219454.db2.gz YUHPCTOJSCIFKY-ZBFHGGJFSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000133940196 491223512 /nfs/dbraw/zinc/22/35/12/491223512.db2.gz OPLPDDMEJWHCLI-RDJZCZTQSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000133940196 491223513 /nfs/dbraw/zinc/22/35/13/491223513.db2.gz OPLPDDMEJWHCLI-RDJZCZTQSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133940196 491223514 /nfs/dbraw/zinc/22/35/14/491223514.db2.gz OPLPDDMEJWHCLI-RDJZCZTQSA-N 2 2 334.464 1.137 20 0 EDADLP C[C@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133940196 491223515 /nfs/dbraw/zinc/22/35/15/491223515.db2.gz OPLPDDMEJWHCLI-RDJZCZTQSA-N 2 2 334.464 1.137 20 0 EDADLP CC(=O)N1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC000305779419 491245553 /nfs/dbraw/zinc/24/55/53/491245553.db2.gz RQNJHDYQTJKRJW-GOSISDBHSA-N 2 2 333.476 1.422 20 0 EDADLP CC(=O)N1CC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC000305779419 491245555 /nfs/dbraw/zinc/24/55/55/491245555.db2.gz RQNJHDYQTJKRJW-GOSISDBHSA-N 2 2 333.476 1.422 20 0 EDADLP CC(=O)N1CC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C(C)(C)C1 ZINC000305779419 491245559 /nfs/dbraw/zinc/24/55/59/491245559.db2.gz RQNJHDYQTJKRJW-GOSISDBHSA-N 2 2 333.476 1.422 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000126862974 491015824 /nfs/dbraw/zinc/01/58/24/491015824.db2.gz NSDHQFKNUMNGOD-SZMVWBNQSA-N 2 2 333.476 1.905 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000126862974 491015825 /nfs/dbraw/zinc/01/58/25/491015825.db2.gz NSDHQFKNUMNGOD-SZMVWBNQSA-N 2 2 333.476 1.905 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[N@@H+]1C1CC1 ZINC000122924223 500908012 /nfs/dbraw/zinc/90/80/12/500908012.db2.gz UCXWVVISXGDYNJ-RBSFLKMASA-N 2 2 329.448 1.585 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[N@H+]1C1CC1 ZINC000122924223 500908018 /nfs/dbraw/zinc/90/80/18/500908018.db2.gz UCXWVVISXGDYNJ-RBSFLKMASA-N 2 2 329.448 1.585 20 0 EDADLP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000132356749 534809913 /nfs/dbraw/zinc/80/99/13/534809913.db2.gz LNQZUJLVNJFHRR-INIZCTEOSA-N 2 2 346.475 1.597 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000132202241 534830730 /nfs/dbraw/zinc/83/07/30/534830730.db2.gz XILGADJKYWAWHH-GDBMZVCRSA-N 2 2 326.872 1.931 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1(C)C ZINC000187168331 527878049 /nfs/dbraw/zinc/87/80/49/527878049.db2.gz IVMWJTWNTPOZNR-DNVCBOLYSA-N 2 2 346.475 1.831 20 0 EDADLP CCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000264246582 534924001 /nfs/dbraw/zinc/92/40/01/534924001.db2.gz PPIDDPFULSIGLY-IBGZPJMESA-N 2 2 345.487 1.739 20 0 EDADLP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCn3cc[nH+]c3)cc2)CC1 ZINC000061132408 535203379 /nfs/dbraw/zinc/20/33/79/535203379.db2.gz HCCWKYCFNXHMLW-UHFFFAOYSA-N 2 2 341.459 1.844 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCCCNc2cccc[nH+]2)C1(C)C ZINC000262794158 535440670 /nfs/dbraw/zinc/44/06/70/535440670.db2.gz PEGXZIDOWNARSY-RDTXWAMCSA-N 2 2 334.464 1.922 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000264084461 535499107 /nfs/dbraw/zinc/49/91/07/535499107.db2.gz JMFMLHCYOLAXHH-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000264084461 535499111 /nfs/dbraw/zinc/49/91/11/535499111.db2.gz JMFMLHCYOLAXHH-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000076004367 535585766 /nfs/dbraw/zinc/58/57/66/535585766.db2.gz PNZSSLWKVXVWBQ-NSHDSACASA-N 2 2 338.374 1.038 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000076004367 535585769 /nfs/dbraw/zinc/58/57/69/535585769.db2.gz PNZSSLWKVXVWBQ-NSHDSACASA-N 2 2 338.374 1.038 20 0 EDADLP CCO[C@H]1C[C@](CO)([NH2+]Cc2ncc(C[NH+](C)C)s2)C1(C)C ZINC000352722362 535650326 /nfs/dbraw/zinc/65/03/26/535650326.db2.gz BKVMTGFLBVOBNJ-XJKSGUPXSA-N 2 2 327.494 1.860 20 0 EDADLP CC[NH+]1CCN(CCC(=O)Nc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000072983505 535686374 /nfs/dbraw/zinc/68/63/74/535686374.db2.gz DAIYSSMCXROMCE-UHFFFAOYSA-N 2 2 342.447 1.542 20 0 EDADLP CCN1CC[NH+](CCC(=O)Nc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000072983505 535686382 /nfs/dbraw/zinc/68/63/82/535686382.db2.gz DAIYSSMCXROMCE-UHFFFAOYSA-N 2 2 342.447 1.542 20 0 EDADLP CCOc1ccc(C(C)=O)cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261734118 535710839 /nfs/dbraw/zinc/71/08/39/535710839.db2.gz SAKWEHGAQYEBJB-GOSISDBHSA-N 2 2 331.460 1.767 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236951811 535716638 /nfs/dbraw/zinc/71/66/38/535716638.db2.gz PJJVJMZWXYCUCZ-VQIMIIECSA-N 2 2 344.503 1.091 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236951811 535716646 /nfs/dbraw/zinc/71/66/46/535716646.db2.gz PJJVJMZWXYCUCZ-VQIMIIECSA-N 2 2 344.503 1.091 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C2)CC1 ZINC000245427122 535734477 /nfs/dbraw/zinc/73/44/77/535734477.db2.gz LUGGVVDLHASJAO-QZTJIDSGSA-N 2 2 338.540 1.591 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C2)CC1 ZINC000245427122 535734481 /nfs/dbraw/zinc/73/44/81/535734481.db2.gz LUGGVVDLHASJAO-QZTJIDSGSA-N 2 2 338.540 1.591 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000245965652 535953646 /nfs/dbraw/zinc/95/36/46/535953646.db2.gz NIADDXWRGTZDHE-BJJXKVORSA-N 2 2 339.505 1.919 20 0 EDADLP CO[C@@H]1CCC[C@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000344923580 536626628 /nfs/dbraw/zinc/62/66/28/536626628.db2.gz WDKJZMUIAAOHMW-SOLBZPMBSA-N 2 2 337.508 1.819 20 0 EDADLP CO[C@@H]1CCC[C@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000344923580 536626636 /nfs/dbraw/zinc/62/66/36/536626636.db2.gz WDKJZMUIAAOHMW-SOLBZPMBSA-N 2 2 337.508 1.819 20 0 EDADLP COc1cccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000332060200 537103222 /nfs/dbraw/zinc/10/32/22/537103222.db2.gz PEJMSEUIKDTTKW-UHFFFAOYSA-N 2 2 346.475 1.308 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@H+]3CCC[C@@H]3C)ccc2n1C ZINC000743979204 579496281 /nfs/dbraw/zinc/49/62/81/579496281.db2.gz DRFXTTBAIZNUCA-LBPRGKRZSA-N 2 2 343.431 1.421 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@@H]3C)ccc2n1C ZINC000743979204 579496282 /nfs/dbraw/zinc/49/62/82/579496282.db2.gz DRFXTTBAIZNUCA-LBPRGKRZSA-N 2 2 343.431 1.421 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000726258626 578339996 /nfs/dbraw/zinc/33/99/96/578339996.db2.gz WZKIDDVFBVQVIU-RDJZCZTQSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000726258626 578339998 /nfs/dbraw/zinc/33/99/98/578339998.db2.gz WZKIDDVFBVQVIU-RDJZCZTQSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000729925854 578601849 /nfs/dbraw/zinc/60/18/49/578601849.db2.gz WMCOLYQCILZMKI-JKSUJKDBSA-N 2 2 325.416 1.966 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000729925854 578601850 /nfs/dbraw/zinc/60/18/50/578601850.db2.gz WMCOLYQCILZMKI-JKSUJKDBSA-N 2 2 325.416 1.966 20 0 EDADLP C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000738949481 579193335 /nfs/dbraw/zinc/19/33/35/579193335.db2.gz NOBPJUNRLBTJOI-UHFFFAOYSA-N 2 2 330.436 1.482 20 0 EDADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[NH+]1CCO[C@@H](C)C1)CC2 ZINC000745792629 579562964 /nfs/dbraw/zinc/56/29/64/579562964.db2.gz QIPSDPWVBABNCS-BBWFWOEESA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[NH+]1CCO[C@@H](C)C1)CC2 ZINC000745792629 579562966 /nfs/dbraw/zinc/56/29/66/579562966.db2.gz QIPSDPWVBABNCS-BBWFWOEESA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)CC2 ZINC000745792629 579562968 /nfs/dbraw/zinc/56/29/68/579562968.db2.gz QIPSDPWVBABNCS-BBWFWOEESA-N 2 2 338.496 1.364 20 0 EDADLP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[N@H+]1CCO[C@@H](C)C1)CC2 ZINC000745792629 579562970 /nfs/dbraw/zinc/56/29/70/579562970.db2.gz QIPSDPWVBABNCS-BBWFWOEESA-N 2 2 338.496 1.364 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000747650847 579652101 /nfs/dbraw/zinc/65/21/01/579652101.db2.gz JUMJEENGWIEJRI-HNNXBMFYSA-N 2 2 336.399 1.651 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000749206802 579716891 /nfs/dbraw/zinc/71/68/91/579716891.db2.gz CJXSXULRIABVQX-AWEZNQCLSA-N 2 2 336.399 1.651 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000749207306 579716899 /nfs/dbraw/zinc/71/68/99/579716899.db2.gz LVQWDCYOXDVENP-CVEARBPZSA-N 2 2 340.431 1.693 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000749207306 579716901 /nfs/dbraw/zinc/71/69/01/579716901.db2.gz LVQWDCYOXDVENP-CVEARBPZSA-N 2 2 340.431 1.693 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@@H](C)C1 ZINC000750825488 579782560 /nfs/dbraw/zinc/78/25/60/579782560.db2.gz DICJZGHBTHZAKY-LRDDRELGSA-N 2 2 345.447 1.869 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@@H](C)C1 ZINC000750825488 579782562 /nfs/dbraw/zinc/78/25/62/579782562.db2.gz DICJZGHBTHZAKY-LRDDRELGSA-N 2 2 345.447 1.869 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@@H](C)C1 ZINC000750825488 579782564 /nfs/dbraw/zinc/78/25/64/579782564.db2.gz DICJZGHBTHZAKY-LRDDRELGSA-N 2 2 345.447 1.869 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@@H](C)C1 ZINC000750825488 579782566 /nfs/dbraw/zinc/78/25/66/579782566.db2.gz DICJZGHBTHZAKY-LRDDRELGSA-N 2 2 345.447 1.869 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000752109166 579838533 /nfs/dbraw/zinc/83/85/33/579838533.db2.gz YCJBOIFRJGWYRT-HNNXBMFYSA-N 2 2 328.416 1.661 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753675533 579884900 /nfs/dbraw/zinc/88/49/00/579884900.db2.gz ILPGWXMHDPFBQD-AWEZNQCLSA-N 2 2 335.521 1.712 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)NCc1cccnc1-n1cc[nH+]c1 ZINC000757803769 579971517 /nfs/dbraw/zinc/97/15/17/579971517.db2.gz POAQUQPCZVUGPU-UHFFFAOYSA-N 2 2 336.399 1.659 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](F)Cc3ccccc3)C2)CC1 ZINC000778272258 580460436 /nfs/dbraw/zinc/46/04/36/580460436.db2.gz FTMJCEXYFPCDER-WMZOPIPTSA-N 2 2 333.451 1.852 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](F)Cc3ccccc3)C2)CC1 ZINC000778272258 580460437 /nfs/dbraw/zinc/46/04/37/580460437.db2.gz FTMJCEXYFPCDER-WMZOPIPTSA-N 2 2 333.451 1.852 20 0 EDADLP c1ccn2c(c1)nnc2CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000764640398 580125469 /nfs/dbraw/zinc/12/54/69/580125469.db2.gz SCFHCMJLSXZFPS-UHFFFAOYSA-N 2 2 336.443 1.921 20 0 EDADLP COCC[N@H+](C)CCCC1CC[NH+](Cn2ccsc2=O)CC1 ZINC000766375264 580165541 /nfs/dbraw/zinc/16/55/41/580165541.db2.gz SQEGTSUMYOHRCE-UHFFFAOYSA-N 2 2 327.494 1.938 20 0 EDADLP COCC[N@@H+](C)CCCC1CC[NH+](Cn2ccsc2=O)CC1 ZINC000766375264 580165542 /nfs/dbraw/zinc/16/55/42/580165542.db2.gz SQEGTSUMYOHRCE-UHFFFAOYSA-N 2 2 327.494 1.938 20 0 EDADLP O=C(C[NH2+][C@H](CCO)C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000771798062 580294289 /nfs/dbraw/zinc/29/42/89/580294289.db2.gz CWQSHSNZHGPDTJ-MRXNPFEDSA-N 2 2 337.489 1.143 20 0 EDADLP Cc1[nH+]ccn1CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000771980102 580300121 /nfs/dbraw/zinc/30/01/21/580300121.db2.gz YTSYWJNSSRYTOL-KRWDZBQOSA-N 2 2 329.400 1.636 20 0 EDADLP Cc1[nH+]ccn1CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000771980102 580300122 /nfs/dbraw/zinc/30/01/22/580300122.db2.gz YTSYWJNSSRYTOL-KRWDZBQOSA-N 2 2 329.400 1.636 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](CN2C(=O)CC(C)(C)C2=O)CC1 ZINC000773340722 580334684 /nfs/dbraw/zinc/33/46/84/580334684.db2.gz RPPNMFCBUWQAGA-UHFFFAOYSA-N 2 2 331.416 1.976 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000779603717 580490980 /nfs/dbraw/zinc/49/09/80/580490980.db2.gz KYGCFJDNOQYNHC-UHFFFAOYSA-N 2 2 348.472 1.350 20 0 EDADLP Cn1ccc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000779644191 580492350 /nfs/dbraw/zinc/49/23/50/580492350.db2.gz AKATVAWCSQAPQE-MRXNPFEDSA-N 2 2 329.404 1.320 20 0 EDADLP Cn1ccc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000779644191 580492351 /nfs/dbraw/zinc/49/23/51/580492351.db2.gz AKATVAWCSQAPQE-MRXNPFEDSA-N 2 2 329.404 1.320 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000781093141 580541753 /nfs/dbraw/zinc/54/17/53/580541753.db2.gz ITKFGSPLMUJZFF-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000781093141 580541754 /nfs/dbraw/zinc/54/17/54/580541754.db2.gz ITKFGSPLMUJZFF-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP COc1cccc(C[N@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000783973644 580609646 /nfs/dbraw/zinc/60/96/46/580609646.db2.gz OHMSUBATPPCQFE-HNNXBMFYSA-N 2 2 328.416 1.834 20 0 EDADLP COc1cccc(C[N@@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000783973644 580609647 /nfs/dbraw/zinc/60/96/47/580609647.db2.gz OHMSUBATPPCQFE-HNNXBMFYSA-N 2 2 328.416 1.834 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789357707 580743470 /nfs/dbraw/zinc/74/34/70/580743470.db2.gz MLVZQMQDRLEUST-GOSISDBHSA-N 3 2 332.492 1.856 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CC(=O)N2CCc3ccccc32)s1 ZINC000796291117 580950129 /nfs/dbraw/zinc/95/01/29/580950129.db2.gz UDNQPTIEJRIOCD-UHFFFAOYSA-N 2 2 330.457 1.884 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000796672784 580959409 /nfs/dbraw/zinc/95/94/09/580959409.db2.gz NUDKQMZQZLVHJD-HRCADAONSA-N 2 2 341.496 1.990 20 0 EDADLP CCc1c[nH]c2nc[nH+]c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c12 ZINC000893047309 590634756 /nfs/dbraw/zinc/63/47/56/590634756.db2.gz LKHPDAOYACHLMW-GOEBONIOSA-N 2 2 342.491 1.983 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000866850782 590635199 /nfs/dbraw/zinc/63/51/99/590635199.db2.gz ZOESTVXBZJNLFZ-QNMZXZFYSA-N 2 2 333.476 1.350 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000866850782 590635205 /nfs/dbraw/zinc/63/52/05/590635205.db2.gz ZOESTVXBZJNLFZ-QNMZXZFYSA-N 2 2 333.476 1.350 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC([NH2+]C3CCC3)CC2)c[nH+]1 ZINC000891884191 590670171 /nfs/dbraw/zinc/67/01/71/590670171.db2.gz IGMYNDYPWJSSLZ-UHFFFAOYSA-N 2 2 331.464 1.964 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891906440 590680938 /nfs/dbraw/zinc/68/09/38/590680938.db2.gz MWVKMCHGGPUTSO-CZUORRHYSA-N 2 2 331.464 1.879 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891906440 590680940 /nfs/dbraw/zinc/68/09/40/590680940.db2.gz MWVKMCHGGPUTSO-CZUORRHYSA-N 2 2 331.464 1.879 20 0 EDADLP C[C@@]1(Br)C[C@H]1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000891927742 590691639 /nfs/dbraw/zinc/69/16/39/590691639.db2.gz VWKKPYSUCOVWSL-DZGCQCFKSA-N 2 2 344.297 1.400 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c2[nH+]ccn21 ZINC000891941238 590698046 /nfs/dbraw/zinc/69/80/46/590698046.db2.gz VWVOEAIPHZHNSZ-YTWAJWBKSA-N 2 2 331.342 1.668 20 0 EDADLP O=C(NCCN(Cc1ccccc1)c1cccc[nH+]1)N[C@@H]1CC[NH2+]C1 ZINC000892001753 590737640 /nfs/dbraw/zinc/73/76/40/590737640.db2.gz IWYIGHRYGPKBDT-QGZVFWFLSA-N 2 2 339.443 1.749 20 0 EDADLP OCc1c[nH+]ccc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000892020617 590753316 /nfs/dbraw/zinc/75/33/16/590753316.db2.gz ZNCBVYFBBDOFOO-UHFFFAOYSA-N 2 2 343.427 1.319 20 0 EDADLP C[C@@H](CNC(=O)NCc1cn(C)c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000892020352 590753547 /nfs/dbraw/zinc/75/35/47/590753547.db2.gz VDOUMPKEXLXZDY-AWEZNQCLSA-N 2 2 327.432 1.666 20 0 EDADLP C[C@@H](CNC(=O)NCc1cn(C)c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000892020352 590753551 /nfs/dbraw/zinc/75/35/51/590753551.db2.gz VDOUMPKEXLXZDY-AWEZNQCLSA-N 2 2 327.432 1.666 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@H]2CCc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000893354089 590798667 /nfs/dbraw/zinc/79/86/67/590798667.db2.gz DTXKBAOCLFRIRV-MSOLQXFVSA-N 2 2 343.471 1.239 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891357783 591058335 /nfs/dbraw/zinc/05/83/35/591058335.db2.gz IGEMZKOJBSESAP-KSZLIROESA-N 2 2 344.459 1.206 20 0 EDADLP COCC[N@H+](C)CCC[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC000892559791 591071832 /nfs/dbraw/zinc/07/18/32/591071832.db2.gz PWNXKPNABHEQBB-UHFFFAOYSA-N 2 2 340.489 1.549 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1 ZINC000892559791 591071836 /nfs/dbraw/zinc/07/18/36/591071836.db2.gz PWNXKPNABHEQBB-UHFFFAOYSA-N 2 2 340.489 1.549 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000892570866 591077440 /nfs/dbraw/zinc/07/74/40/591077440.db2.gz RSHPIPSKWFJPCD-CTYIDZIISA-N 2 2 331.464 1.846 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC(C)(C)CC[NH3+])C2)c1 ZINC000892609574 591093148 /nfs/dbraw/zinc/09/31/48/591093148.db2.gz RLFBOKXOVQFSHO-KRWDZBQOSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NC(C)(C)CC[NH3+])C2)c1 ZINC000892609574 591093151 /nfs/dbraw/zinc/09/31/51/591093151.db2.gz RLFBOKXOVQFSHO-KRWDZBQOSA-N 2 2 348.491 1.622 20 0 EDADLP CCO[C@@H]1CN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C[C@H]1C[NH3+] ZINC000892616576 591098139 /nfs/dbraw/zinc/09/81/39/591098139.db2.gz WOVUAUHWMIWREU-DJIMGWMZSA-N 2 2 332.448 1.178 20 0 EDADLP CCO[C@@H]1CN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C[C@H]1C[NH3+] ZINC000892616576 591098142 /nfs/dbraw/zinc/09/81/42/591098142.db2.gz WOVUAUHWMIWREU-DJIMGWMZSA-N 2 2 332.448 1.178 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2F)[C@@H](C[NH3+])C1 ZINC000892620659 591099473 /nfs/dbraw/zinc/09/94/73/591099473.db2.gz OJFOSCJPYGBJQM-NSHDSACASA-N 2 2 349.237 1.917 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2F)[C@@H](C[NH3+])C1 ZINC000892620659 591099477 /nfs/dbraw/zinc/09/94/77/591099477.db2.gz OJFOSCJPYGBJQM-NSHDSACASA-N 2 2 349.237 1.917 20 0 EDADLP CC(C)(CNC(=O)N1CCC([NH2+]C2CCC2)CC1)[NH+]1CCOCC1 ZINC000891512685 591101716 /nfs/dbraw/zinc/10/17/16/591101716.db2.gz UTASVQXGFHFLIX-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1F ZINC000891565754 591128612 /nfs/dbraw/zinc/12/86/12/591128612.db2.gz QLBPGDNFQDXEDN-TYNCELHUSA-N 2 2 338.402 1.713 20 0 EDADLP CCn1cc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000892757827 591163087 /nfs/dbraw/zinc/16/30/87/591163087.db2.gz KLGSXZBATRADJW-UHFFFAOYSA-N 3 2 342.491 1.908 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)C1 ZINC000894014152 591171045 /nfs/dbraw/zinc/17/10/45/591171045.db2.gz JCAWPQTWUKTBAY-OAHLLOKOSA-N 2 2 329.448 1.480 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)C1 ZINC000894014152 591171047 /nfs/dbraw/zinc/17/10/47/591171047.db2.gz JCAWPQTWUKTBAY-OAHLLOKOSA-N 2 2 329.448 1.480 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000891730551 591202878 /nfs/dbraw/zinc/20/28/78/591202878.db2.gz KTEBIPOVEKRLNK-GVAFMPQTSA-N 2 2 336.386 1.466 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000891730551 591202880 /nfs/dbraw/zinc/20/28/80/591202880.db2.gz KTEBIPOVEKRLNK-GVAFMPQTSA-N 2 2 336.386 1.466 20 0 EDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2nccn3c[nH+]cc23)CC1 ZINC000892851271 591203877 /nfs/dbraw/zinc/20/38/77/591203877.db2.gz FVLSLICIRKGOMW-UHFFFAOYSA-N 2 2 344.463 1.768 20 0 EDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NCc3c[nH+]c[nH]3)cc2)CC1 ZINC000894132933 591204052 /nfs/dbraw/zinc/20/40/52/591204052.db2.gz SDSJMQBVHZLERX-UHFFFAOYSA-N 2 2 327.432 1.728 20 0 EDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NCc3c[nH]c[nH+]3)cc2)CC1 ZINC000894132933 591204055 /nfs/dbraw/zinc/20/40/55/591204055.db2.gz SDSJMQBVHZLERX-UHFFFAOYSA-N 2 2 327.432 1.728 20 0 EDADLP CC(C)([NH3+])CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000892859541 591207483 /nfs/dbraw/zinc/20/74/83/591207483.db2.gz CMQOZQJFLXSXQW-UHFFFAOYSA-N 2 2 325.482 1.488 20 0 EDADLP CC(C)([NH3+])CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000892859541 591207485 /nfs/dbraw/zinc/20/74/85/591207485.db2.gz CMQOZQJFLXSXQW-UHFFFAOYSA-N 2 2 325.482 1.488 20 0 EDADLP CC(C)Cc1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cn1 ZINC000892877885 591212749 /nfs/dbraw/zinc/21/27/49/591212749.db2.gz GKWMIFDNISGAGF-UHFFFAOYSA-N 2 2 332.492 1.922 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000891802359 591229041 /nfs/dbraw/zinc/22/90/41/591229041.db2.gz AICSUMQFQBFVKX-UHFFFAOYSA-N 2 2 341.459 1.926 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000895664623 591243614 /nfs/dbraw/zinc/24/36/14/591243614.db2.gz AHYPISMYUUNILE-HNNXBMFYSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000895664623 591243617 /nfs/dbraw/zinc/24/36/17/591243617.db2.gz AHYPISMYUUNILE-HNNXBMFYSA-N 2 2 331.464 1.823 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000895740789 591262879 /nfs/dbraw/zinc/26/28/79/591262879.db2.gz ZMTWKQUKJOSYHV-KBAYOESNSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000895740789 591262881 /nfs/dbraw/zinc/26/28/81/591262881.db2.gz ZMTWKQUKJOSYHV-KBAYOESNSA-N 2 2 331.460 1.516 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000894874860 591453280 /nfs/dbraw/zinc/45/32/80/591453280.db2.gz SBGNNBOKKCVYFQ-OAHLLOKOSA-N 2 2 327.469 1.290 20 0 EDADLP CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000894874860 591453283 /nfs/dbraw/zinc/45/32/83/591453283.db2.gz SBGNNBOKKCVYFQ-OAHLLOKOSA-N 2 2 327.469 1.290 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)[C@H](C)CO1 ZINC000898668909 591467209 /nfs/dbraw/zinc/46/72/09/591467209.db2.gz MHPRSJHHSSFRIH-PSBWJHGTSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)[C@H](C)CO1 ZINC000898668909 591467212 /nfs/dbraw/zinc/46/72/12/591467212.db2.gz MHPRSJHHSSFRIH-PSBWJHGTSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H](C)CO1 ZINC000898668909 591467215 /nfs/dbraw/zinc/46/72/15/591467215.db2.gz MHPRSJHHSSFRIH-PSBWJHGTSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@H](C)CO1 ZINC000898668909 591467217 /nfs/dbraw/zinc/46/72/17/591467217.db2.gz MHPRSJHHSSFRIH-PSBWJHGTSA-N 2 2 345.487 1.905 20 0 EDADLP CO[C@H](C[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1)[C@@H]1CCOC1 ZINC000898720913 591484197 /nfs/dbraw/zinc/48/41/97/591484197.db2.gz OHRRJUNVAKXTFH-IJLUTSLNSA-N 2 2 344.253 1.602 20 0 EDADLP COCCOC[C@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898716969 591488059 /nfs/dbraw/zinc/48/80/59/591488059.db2.gz BOKWMIPJROHUDE-WDEREUQCSA-N 2 2 332.242 1.602 20 0 EDADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896541822 591505496 /nfs/dbraw/zinc/50/54/96/591505496.db2.gz IKJCPRMDEARLIY-MAUKXSAKSA-N 2 2 341.459 1.296 20 0 EDADLP C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896541822 591505499 /nfs/dbraw/zinc/50/54/99/591505499.db2.gz IKJCPRMDEARLIY-MAUKXSAKSA-N 2 2 341.459 1.296 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000897535532 591538389 /nfs/dbraw/zinc/53/83/89/591538389.db2.gz ACIZRZCSVIJJJB-RDJZCZTQSA-N 2 2 326.481 1.935 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000896594259 591545547 /nfs/dbraw/zinc/54/55/47/591545547.db2.gz GYCFJGVQXHAIOG-UONOGXRCSA-N 2 2 337.493 1.583 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000896594259 591545548 /nfs/dbraw/zinc/54/55/48/591545548.db2.gz GYCFJGVQXHAIOG-UONOGXRCSA-N 2 2 337.493 1.583 20 0 EDADLP CN(C)c1[nH]c2ccc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)cc2[nH+]1 ZINC000897593265 591574141 /nfs/dbraw/zinc/57/41/41/591574141.db2.gz FSLOOTJYLCOPOW-CYBMUJFWSA-N 2 2 329.404 1.288 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897651645 591605606 /nfs/dbraw/zinc/60/56/06/591605606.db2.gz HZSHNDDKPSGXFY-KBUPBQIOSA-N 2 2 327.469 1.693 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897651645 591605608 /nfs/dbraw/zinc/60/56/08/591605608.db2.gz HZSHNDDKPSGXFY-KBUPBQIOSA-N 2 2 327.469 1.693 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000898964097 591618566 /nfs/dbraw/zinc/61/85/66/591618566.db2.gz BBBQIQBWRNDVSR-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000898964097 591618569 /nfs/dbraw/zinc/61/85/69/591618569.db2.gz BBBQIQBWRNDVSR-UHFFFAOYSA-N 2 2 345.447 1.241 20 0 EDADLP CC[NH+]1CC[C@H]2OCCN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)[C@H]2C1 ZINC000897850025 591695447 /nfs/dbraw/zinc/69/54/47/591695447.db2.gz NMZLBBCAZSAYJU-IXDOHACOSA-N 2 2 347.463 1.112 20 0 EDADLP CC[NH+]1CC[C@H]2OCCN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)[C@H]2C1 ZINC000897850025 591695451 /nfs/dbraw/zinc/69/54/51/591695451.db2.gz NMZLBBCAZSAYJU-IXDOHACOSA-N 2 2 347.463 1.112 20 0 EDADLP O=C(N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899133803 591696717 /nfs/dbraw/zinc/69/67/17/591696717.db2.gz DRCFSHFEMQRDHU-CVEARBPZSA-N 2 2 344.390 1.475 20 0 EDADLP CN(C(=O)[C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989936 591702812 /nfs/dbraw/zinc/70/28/12/591702812.db2.gz XWDCDGFGIBBVDH-SJLPKXTDSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@@H]1CCOC2(CCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989936 591702814 /nfs/dbraw/zinc/70/28/14/591702814.db2.gz XWDCDGFGIBBVDH-SJLPKXTDSA-N 2 2 349.519 1.963 20 0 EDADLP CC(C)Cn1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000896989093 591706016 /nfs/dbraw/zinc/70/60/16/591706016.db2.gz NUYOWDZRRQIAGZ-KRWDZBQOSA-N 2 2 347.507 1.780 20 0 EDADLP CC(C)Cn1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000896989093 591706018 /nfs/dbraw/zinc/70/60/18/591706018.db2.gz NUYOWDZRRQIAGZ-KRWDZBQOSA-N 2 2 347.507 1.780 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000895313796 591709900 /nfs/dbraw/zinc/70/99/00/591709900.db2.gz MYBVGHTZOIGBLA-INIZCTEOSA-N 2 2 341.496 1.726 20 0 EDADLP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000897948618 591733598 /nfs/dbraw/zinc/73/35/98/591733598.db2.gz OATRCQHWHKEKGZ-SIXWZSSISA-N 2 2 332.444 1.572 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@@H](C)O1 ZINC000895552489 591798568 /nfs/dbraw/zinc/79/85/68/591798568.db2.gz OLHGREKCELHSJV-RBSFLKMASA-N 2 2 325.497 1.863 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@@H](C)O1 ZINC000895552489 591798571 /nfs/dbraw/zinc/79/85/71/591798571.db2.gz OLHGREKCELHSJV-RBSFLKMASA-N 2 2 325.497 1.863 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000895553511 591799749 /nfs/dbraw/zinc/79/97/49/591799749.db2.gz FOUPVCHHHVBXFH-UHFFFAOYSA-N 2 2 345.443 1.721 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccnc(-c3ccccn3)n2)CC1 ZINC000895609164 591821701 /nfs/dbraw/zinc/82/17/01/591821701.db2.gz FYRRBXIOSRIMTP-UHFFFAOYSA-N 2 2 341.459 1.864 20 0 EDADLP O[C@H](CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000898195461 591829099 /nfs/dbraw/zinc/82/90/99/591829099.db2.gz WZMHODXOHDRPGM-LJQANCHMSA-N 2 2 334.460 1.648 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000898313266 591867829 /nfs/dbraw/zinc/86/78/29/591867829.db2.gz SIRHUFAAMJUZQV-ZBFHGGJFSA-N 2 2 333.542 1.612 20 0 EDADLP O=C(NCc1ccccc1-c1[nH]cc[nH+]1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000909639642 591879043 /nfs/dbraw/zinc/87/90/43/591879043.db2.gz YWXPDPOQFOBNEJ-GDBMZVCRSA-N 2 2 326.400 1.556 20 0 EDADLP O=C(NCc1ccccc1-c1[nH]cc[nH+]1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000909639642 591879048 /nfs/dbraw/zinc/87/90/48/591879048.db2.gz YWXPDPOQFOBNEJ-GDBMZVCRSA-N 2 2 326.400 1.556 20 0 EDADLP Cc1ccc2[nH+]c(Cn3cc(CNC4CC[NH+](C)CC4)nn3)cn2c1 ZINC000899705488 591910697 /nfs/dbraw/zinc/91/06/97/591910697.db2.gz FLXQOIINZJKDHG-UHFFFAOYSA-N 2 2 339.447 1.466 20 0 EDADLP C/C(=C\C(=O)NCc1cccnc1-n1ccnc1)C[NH+]1CCOCC1 ZINC000900111746 591912248 /nfs/dbraw/zinc/91/22/48/591912248.db2.gz GZIVACDQYCVFJX-RVDMUPIBSA-N 2 2 341.415 1.162 20 0 EDADLP C/C(=C\C(=O)NCc1cccnc1-n1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000900111746 591912249 /nfs/dbraw/zinc/91/22/49/591912249.db2.gz GZIVACDQYCVFJX-RVDMUPIBSA-N 2 2 341.415 1.162 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900208235 591942751 /nfs/dbraw/zinc/94/27/51/591942751.db2.gz FMUHMGNCGONVDZ-AWEZNQCLSA-N 2 2 330.432 1.741 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@@H]([C@@H]3CCCO3)CC2=O)CCN1c1cc[nH+]cc1 ZINC000902372727 591981952 /nfs/dbraw/zinc/98/19/52/591981952.db2.gz UQINRJVHYPVXBP-RYRKJORJSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@@H]([C@@H]3CCCO3)CC2=O)CCN1c1cc[nH+]cc1 ZINC000902372727 591981954 /nfs/dbraw/zinc/98/19/54/591981954.db2.gz UQINRJVHYPVXBP-RYRKJORJSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902375209 591982719 /nfs/dbraw/zinc/98/27/19/591982719.db2.gz BLJCEZIFHDLHLI-JFIYKMOQSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902375209 591982721 /nfs/dbraw/zinc/98/27/21/591982721.db2.gz BLJCEZIFHDLHLI-JFIYKMOQSA-N 2 2 344.459 1.577 20 0 EDADLP C/C(=C/C(=O)N1CC[NH+](CCC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000900311999 591984755 /nfs/dbraw/zinc/98/47/55/591984755.db2.gz DGFYZWFMGDKPKH-ICFOKQHNSA-N 2 2 337.508 1.845 20 0 EDADLP C/C(=C/C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900339881 591989228 /nfs/dbraw/zinc/98/92/28/591989228.db2.gz SJRKTPSCSVAQJG-BQGMYUGNSA-N 2 2 337.508 1.892 20 0 EDADLP C/C(=C/C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900339881 591989232 /nfs/dbraw/zinc/98/92/32/591989232.db2.gz SJRKTPSCSVAQJG-BQGMYUGNSA-N 2 2 337.508 1.892 20 0 EDADLP C[C@@H]1CN(c2cc(N3CC[C@H](C[NH3+])[C@H](C)C3)[nH+]cn2)CC[C@@H]1C[NH3+] ZINC000900385953 592002827 /nfs/dbraw/zinc/00/28/27/592002827.db2.gz YVUXLJNVTPHJEV-KLHDSHLOSA-N 3 2 332.496 1.319 20 0 EDADLP CCc1noc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000902641685 592029323 /nfs/dbraw/zinc/02/93/23/592029323.db2.gz RHAQPGZQVMBLJS-UHFFFAOYSA-N 2 2 335.452 1.312 20 0 EDADLP C/C(=C\C(=O)NCCCCNc1cccc[nH+]1)C[NH+]1CCOCC1 ZINC000900587631 592060403 /nfs/dbraw/zinc/06/04/03/592060403.db2.gz ZHHSICPDXCLLAQ-JQIJEIRASA-N 2 2 332.448 1.668 20 0 EDADLP C[C@@H](c1ccccc1)[C@@H](O)Cn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1 ZINC000900584221 592069954 /nfs/dbraw/zinc/06/99/54/592069954.db2.gz XPMUEPNUNDNUSF-KXBFYZLASA-N 2 2 343.475 1.627 20 0 EDADLP C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902857790 592076927 /nfs/dbraw/zinc/07/69/27/592076927.db2.gz VLFMTKJZDWQQRY-OAHLLOKOSA-N 2 2 348.472 1.949 20 0 EDADLP O=C(CNc1cccc[nH+]1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000900719750 592104227 /nfs/dbraw/zinc/10/42/27/592104227.db2.gz SDDXGGAHKAJUCD-UHFFFAOYSA-N 2 2 325.416 1.669 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178252 592131404 /nfs/dbraw/zinc/13/14/04/592131404.db2.gz VLNZLIHTPLEJBN-CABCVRRESA-N 2 2 341.496 1.869 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903178252 592131406 /nfs/dbraw/zinc/13/14/06/592131406.db2.gz VLNZLIHTPLEJBN-CABCVRRESA-N 2 2 341.496 1.869 20 0 EDADLP CO[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000903185024 592132676 /nfs/dbraw/zinc/13/26/76/592132676.db2.gz BWSFUAWTNDTLLA-JSSFPYSZSA-N 2 2 332.448 1.772 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1c[nH+]c[nH]1 ZINC000900822193 592137988 /nfs/dbraw/zinc/13/79/88/592137988.db2.gz ZLORMRLTDCZVJP-OAHLLOKOSA-N 2 2 327.432 1.279 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC000900822193 592137991 /nfs/dbraw/zinc/13/79/91/592137991.db2.gz ZLORMRLTDCZVJP-OAHLLOKOSA-N 2 2 327.432 1.279 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)cc1 ZINC000900847325 592146326 /nfs/dbraw/zinc/14/63/26/592146326.db2.gz YKYBYBHPWSPZIF-UHFFFAOYSA-N 2 2 342.487 1.933 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)cc1 ZINC000900847325 592146329 /nfs/dbraw/zinc/14/63/29/592146329.db2.gz YKYBYBHPWSPZIF-UHFFFAOYSA-N 2 2 342.487 1.933 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000903299918 592153550 /nfs/dbraw/zinc/15/35/50/592153550.db2.gz DIFRDKFOQKLGHW-ZENOOKHLSA-N 2 2 333.432 1.873 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000903299918 592153553 /nfs/dbraw/zinc/15/35/53/592153553.db2.gz DIFRDKFOQKLGHW-ZENOOKHLSA-N 2 2 333.432 1.873 20 0 EDADLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)C1CCS(=O)(=O)CC1 ZINC000903381829 592163727 /nfs/dbraw/zinc/16/37/27/592163727.db2.gz ZGLOCNLOHHFXBP-PBHICJAKSA-N 2 2 339.505 1.877 20 0 EDADLP C/C(=C\C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)C[NH+]1CCOCC1 ZINC000900914809 592170770 /nfs/dbraw/zinc/17/07/70/592170770.db2.gz KOUAUSFKUBNELY-FYXHJSOBSA-N 2 2 335.492 1.455 20 0 EDADLP C/C(=C\C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C[NH+]1CCOCC1 ZINC000900914809 592170773 /nfs/dbraw/zinc/17/07/73/592170773.db2.gz KOUAUSFKUBNELY-FYXHJSOBSA-N 2 2 335.492 1.455 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000903470246 592175131 /nfs/dbraw/zinc/17/51/31/592175131.db2.gz IVLVNQRQNKSTOC-QGZVFWFLSA-N 2 2 346.450 1.349 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000903471544 592175511 /nfs/dbraw/zinc/17/55/11/592175511.db2.gz SYJLVJFYCQZBLC-FUHWJXTLSA-N 2 2 342.487 1.503 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCN(c2ccccc2F)CC1 ZINC000903472508 592175751 /nfs/dbraw/zinc/17/57/51/592175751.db2.gz ZYXVGOIUQUDCPI-KRWDZBQOSA-N 2 2 346.450 1.349 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)c2ccc(C(F)F)cc2)CC1 ZINC000903565436 592212317 /nfs/dbraw/zinc/21/23/17/592212317.db2.gz KUUCXIYFCRIOMC-UHFFFAOYSA-N 2 2 333.404 1.326 20 0 EDADLP C[NH2+]CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000903572795 592225962 /nfs/dbraw/zinc/22/59/62/592225962.db2.gz FUCMSDDUJRNBEM-UHFFFAOYSA-N 3 2 333.480 1.050 20 0 EDADLP C[NH2+]CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000903572795 592225965 /nfs/dbraw/zinc/22/59/65/592225965.db2.gz FUCMSDDUJRNBEM-UHFFFAOYSA-N 3 2 333.480 1.050 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904331193 592232312 /nfs/dbraw/zinc/23/23/12/592232312.db2.gz FFVNOMAPUKYJKI-QGZVFWFLSA-N 2 2 329.444 1.408 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904331193 592232314 /nfs/dbraw/zinc/23/23/14/592232314.db2.gz FFVNOMAPUKYJKI-QGZVFWFLSA-N 2 2 329.444 1.408 20 0 EDADLP COc1cc2c(cc1CN1C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C1)O[C@@H](C)C2 ZINC000904494072 592266796 /nfs/dbraw/zinc/26/67/96/592266796.db2.gz FIGWPVUAJHHJJY-APHBMKBZSA-N 2 2 342.443 1.679 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3cnc([C@@H]4CCCO4)s3)C[C@H]2[NH3+])c1 ZINC000904496316 592269812 /nfs/dbraw/zinc/26/98/12/592269812.db2.gz WZGWWJXJRVUIJE-NFAWXSAZSA-N 2 2 333.461 1.655 20 0 EDADLP C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719437 592281606 /nfs/dbraw/zinc/28/16/06/592281606.db2.gz ZQASYGMNZSZPLC-ACJLOTCBSA-N 2 2 328.416 1.536 20 0 EDADLP C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903719437 592281608 /nfs/dbraw/zinc/28/16/08/592281608.db2.gz ZQASYGMNZSZPLC-ACJLOTCBSA-N 2 2 328.416 1.536 20 0 EDADLP C[N@@H+](Cc1cnn(-c2ccccc2)n1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722188 592282636 /nfs/dbraw/zinc/28/26/36/592282636.db2.gz ILBCOJHXISFWMQ-QZTJIDSGSA-N 2 2 327.432 1.468 20 0 EDADLP C[N@H+](Cc1cnn(-c2ccccc2)n1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722188 592282639 /nfs/dbraw/zinc/28/26/39/592282639.db2.gz ILBCOJHXISFWMQ-QZTJIDSGSA-N 2 2 327.432 1.468 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C[C@H]21 ZINC000904592523 592292636 /nfs/dbraw/zinc/29/26/36/592292636.db2.gz CZBPFUKHLAPAMN-HZPDHXFCSA-N 2 2 332.448 1.817 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C[C@H]21 ZINC000904592523 592292637 /nfs/dbraw/zinc/29/26/37/592292637.db2.gz CZBPFUKHLAPAMN-HZPDHXFCSA-N 2 2 332.448 1.817 20 0 EDADLP O=C1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](c2ccccc2)CN1 ZINC000903788477 592323220 /nfs/dbraw/zinc/32/32/20/592323220.db2.gz LUHVJJDDELFIFG-IAGOWNOFSA-N 2 2 329.444 1.318 20 0 EDADLP O=C1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](c2ccccc2)CN1 ZINC000903788477 592323225 /nfs/dbraw/zinc/32/32/25/592323225.db2.gz LUHVJJDDELFIFG-IAGOWNOFSA-N 2 2 329.444 1.318 20 0 EDADLP O=C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)NC(=O)Nc1ccccc1 ZINC000903816186 592324247 /nfs/dbraw/zinc/32/42/47/592324247.db2.gz URQIMFOZLABORE-UHFFFAOYSA-N 2 2 346.431 1.179 20 0 EDADLP O=C(C[N@H+]1CC[NH2+]CCC12CCOCC2)NC(=O)Nc1ccccc1 ZINC000903816186 592324253 /nfs/dbraw/zinc/32/42/53/592324253.db2.gz URQIMFOZLABORE-UHFFFAOYSA-N 2 2 346.431 1.179 20 0 EDADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816210 592324753 /nfs/dbraw/zinc/32/47/53/592324753.db2.gz VGFAKZUIVLAIJF-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816210 592324757 /nfs/dbraw/zinc/32/47/57/592324757.db2.gz VGFAKZUIVLAIJF-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869608 592353369 /nfs/dbraw/zinc/35/33/69/592353369.db2.gz ITASFAUDISBNCA-RDTXWAMCSA-N 2 2 336.432 1.271 20 0 EDADLP COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869608 592353374 /nfs/dbraw/zinc/35/33/74/592353374.db2.gz ITASFAUDISBNCA-RDTXWAMCSA-N 2 2 336.432 1.271 20 0 EDADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000903871504 592353516 /nfs/dbraw/zinc/35/35/16/592353516.db2.gz QCFXRPNMPNMKIS-YNEHKIRRSA-N 2 2 340.411 1.428 20 0 EDADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000903871504 592353520 /nfs/dbraw/zinc/35/35/20/592353520.db2.gz QCFXRPNMPNMKIS-YNEHKIRRSA-N 2 2 340.411 1.428 20 0 EDADLP c1csc(N2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000903886884 592364585 /nfs/dbraw/zinc/36/45/85/592364585.db2.gz VJHOTYAIIBJZRU-CQSZACIVSA-N 2 2 347.492 1.371 20 0 EDADLP c1csc(N2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000903886884 592364589 /nfs/dbraw/zinc/36/45/89/592364589.db2.gz VJHOTYAIIBJZRU-CQSZACIVSA-N 2 2 347.492 1.371 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(Cc3cscn3)CC2)cnn1C ZINC000903886607 592364717 /nfs/dbraw/zinc/36/47/17/592364717.db2.gz RIDBAUMYPNMDCT-OAHLLOKOSA-N 2 2 348.520 1.120 20 0 EDADLP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000906841504 592365524 /nfs/dbraw/zinc/36/55/24/592365524.db2.gz MAQXUFKWKVRNLY-IRXDYDNUSA-N 2 2 337.508 1.820 20 0 EDADLP CCc1nn(C)c(Cl)c1C[NH+]1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000903904627 592372812 /nfs/dbraw/zinc/37/28/12/592372812.db2.gz XILOZSPMOZUABP-LLVKDONJSA-N 2 2 349.857 1.736 20 0 EDADLP C[C@@](O)(C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C(F)F ZINC000905036283 592373440 /nfs/dbraw/zinc/37/34/40/592373440.db2.gz RZWXMXBWHJJRAK-QGZVFWFLSA-N 2 2 327.419 1.804 20 0 EDADLP CC(C)OC(=O)C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903954685 592395500 /nfs/dbraw/zinc/39/55/00/592395500.db2.gz SZPWYWSLJYBKFP-OAHLLOKOSA-N 2 2 335.452 1.366 20 0 EDADLP C[C@@H]1c2c[nH]nc2CC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000906906015 592397069 /nfs/dbraw/zinc/39/70/69/592397069.db2.gz DZNHEFZRXFSULP-DZGCQCFKSA-N 2 2 333.480 1.218 20 0 EDADLP c1ccc(N2CCC([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)CC2)[nH+]c1 ZINC000903972415 592397243 /nfs/dbraw/zinc/39/72/43/592397243.db2.gz IBMBWUHNZUSWPX-QGZVFWFLSA-N 3 2 330.476 1.799 20 0 EDADLP CCOc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)ccc1O[C@H](C)C(=O)N(C)C ZINC000903964416 592402155 /nfs/dbraw/zinc/40/21/55/592402155.db2.gz PXKCCFGZZBOWCS-IIAWOOMASA-N 2 2 349.475 1.638 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905102227 592406140 /nfs/dbraw/zinc/40/61/40/592406140.db2.gz CPZJFERTWHFQFL-WFASDCNBSA-N 2 2 332.275 1.862 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905102227 592406144 /nfs/dbraw/zinc/40/61/44/592406144.db2.gz CPZJFERTWHFQFL-WFASDCNBSA-N 2 2 332.275 1.862 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)n1C ZINC000905111180 592411715 /nfs/dbraw/zinc/41/17/15/592411715.db2.gz QIFKSOZSZLRHRJ-JTQLQIEISA-N 2 2 330.301 1.524 20 0 EDADLP C[C@@]1(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)CCC[NH2+]C1 ZINC000904313680 592474501 /nfs/dbraw/zinc/47/45/01/592474501.db2.gz JMWDLPJCJMLGGH-MRXNPFEDSA-N 2 2 327.423 1.786 20 0 EDADLP O=S(=O)(CC1CC[NH2+]CC1)NCCNc1ccc2ccccc2[nH+]1 ZINC000905340516 592511495 /nfs/dbraw/zinc/51/14/95/592511495.db2.gz XPADKKLOPBSJGJ-UHFFFAOYSA-N 2 2 348.472 1.566 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000905540980 592557142 /nfs/dbraw/zinc/55/71/42/592557142.db2.gz MHRLLXYFIOBGRU-YSVLISHTSA-N 2 2 336.432 1.285 20 0 EDADLP CCOC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000905540980 592557143 /nfs/dbraw/zinc/55/71/43/592557143.db2.gz MHRLLXYFIOBGRU-YSVLISHTSA-N 2 2 336.432 1.285 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000905525351 592560798 /nfs/dbraw/zinc/56/07/98/592560798.db2.gz NAHKCNLYKCLJFL-GOSISDBHSA-N 2 2 345.443 1.824 20 0 EDADLP O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905620238 592588088 /nfs/dbraw/zinc/58/80/88/592588088.db2.gz QYCCCXVTEWRVOW-ZCNNSNEGSA-N 2 2 348.487 1.704 20 0 EDADLP O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905620238 592588090 /nfs/dbraw/zinc/58/80/90/592588090.db2.gz QYCCCXVTEWRVOW-ZCNNSNEGSA-N 2 2 348.487 1.704 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)C1 ZINC000905936519 592689227 /nfs/dbraw/zinc/68/92/27/592689227.db2.gz DCUGLHNUBKDFQQ-IPMKNSEASA-N 2 2 336.476 1.417 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)C1 ZINC000905936519 592689229 /nfs/dbraw/zinc/68/92/29/592689229.db2.gz DCUGLHNUBKDFQQ-IPMKNSEASA-N 2 2 336.476 1.417 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000907877973 592826223 /nfs/dbraw/zinc/82/62/23/592826223.db2.gz OLLXTQRBDDLFAA-MRXNPFEDSA-N 2 2 336.480 1.280 20 0 EDADLP CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911191071 592946232 /nfs/dbraw/zinc/94/62/32/592946232.db2.gz XRBAORBSPATZLQ-RYQLBKOJSA-N 2 2 337.508 1.676 20 0 EDADLP CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911191071 592946234 /nfs/dbraw/zinc/94/62/34/592946234.db2.gz XRBAORBSPATZLQ-RYQLBKOJSA-N 2 2 337.508 1.676 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CNc3cccc[nH+]3)CC2)CC1 ZINC000911190772 592946246 /nfs/dbraw/zinc/94/62/46/592946246.db2.gz OFJKRKYRPRTYMN-UHFFFAOYSA-N 3 2 345.491 1.512 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CNc3cccc[nH+]3)CC2)CC1 ZINC000911190772 592946247 /nfs/dbraw/zinc/94/62/47/592946247.db2.gz OFJKRKYRPRTYMN-UHFFFAOYSA-N 3 2 345.491 1.512 20 0 EDADLP CCC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911204813 592953969 /nfs/dbraw/zinc/95/39/69/592953969.db2.gz HTTIRMQTFCXPNB-GOEBONIOSA-N 2 2 338.496 1.001 20 0 EDADLP CC[C@@H](C(=O)NCc1ccc(CC[NH3+])cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911734250 592992263 /nfs/dbraw/zinc/99/22/63/592992263.db2.gz LTOPZRJGYXIJRY-MSOLQXFVSA-N 2 2 333.476 1.693 20 0 EDADLP CC[C@@H](C(=O)NCc1ccc(CC[NH3+])cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000911734250 592992265 /nfs/dbraw/zinc/99/22/65/592992265.db2.gz LTOPZRJGYXIJRY-MSOLQXFVSA-N 2 2 333.476 1.693 20 0 EDADLP [NH3+][C@H](CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)C(F)F ZINC000911744288 592994952 /nfs/dbraw/zinc/99/49/52/592994952.db2.gz GZYCNUXAHHNVBU-QWHCGFSZSA-N 2 2 341.358 1.516 20 0 EDADLP [NH3+][C@H](CC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)C(F)F ZINC000911744284 592995031 /nfs/dbraw/zinc/99/50/31/592995031.db2.gz GZYCNUXAHHNVBU-CHWSQXEVSA-N 2 2 341.358 1.516 20 0 EDADLP CC1(C)[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000911848700 593026045 /nfs/dbraw/zinc/02/60/45/593026045.db2.gz XXLAXMGWUJVFMQ-HOTGVXAUSA-N 2 2 346.475 1.377 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000807225751 593154992 /nfs/dbraw/zinc/15/49/92/593154992.db2.gz IPXUJOHKRUDQHA-UHFFFAOYSA-N 2 2 342.443 1.730 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000807225751 593154993 /nfs/dbraw/zinc/15/49/93/593154993.db2.gz IPXUJOHKRUDQHA-UHFFFAOYSA-N 2 2 342.443 1.730 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C[C@@H]1Cc1ccccc1 ZINC000838633860 593199146 /nfs/dbraw/zinc/19/91/46/593199146.db2.gz MMNDZTQTMWIKJM-IRXDYDNUSA-N 2 2 339.443 1.896 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)C[C@@H]1Cc1ccccc1 ZINC000838633860 593199147 /nfs/dbraw/zinc/19/91/47/593199147.db2.gz MMNDZTQTMWIKJM-IRXDYDNUSA-N 2 2 339.443 1.896 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809601695 593349762 /nfs/dbraw/zinc/34/97/62/593349762.db2.gz BLFWOIAACUCCJF-GPANFISMSA-N 2 2 341.496 1.989 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809601695 593349764 /nfs/dbraw/zinc/34/97/64/593349764.db2.gz BLFWOIAACUCCJF-GPANFISMSA-N 2 2 341.496 1.989 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000806355974 593440126 /nfs/dbraw/zinc/44/01/26/593440126.db2.gz DWCMQRNXYVROEE-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000806355974 593440129 /nfs/dbraw/zinc/44/01/29/593440129.db2.gz DWCMQRNXYVROEE-INIZCTEOSA-N 2 2 342.447 1.941 20 0 EDADLP CC1=CCC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840068192 593462531 /nfs/dbraw/zinc/46/25/31/593462531.db2.gz XTFQPZTYTQVYLE-HDICACEKSA-N 2 2 339.439 1.713 20 0 EDADLP CC1=CCC[N@@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840068192 593462533 /nfs/dbraw/zinc/46/25/33/593462533.db2.gz XTFQPZTYTQVYLE-HDICACEKSA-N 2 2 339.439 1.713 20 0 EDADLP CC1=CCC[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840068192 593462535 /nfs/dbraw/zinc/46/25/35/593462535.db2.gz XTFQPZTYTQVYLE-HDICACEKSA-N 2 2 339.439 1.713 20 0 EDADLP CC1=CCC[NH+](CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000840068192 593462537 /nfs/dbraw/zinc/46/25/37/593462537.db2.gz XTFQPZTYTQVYLE-HDICACEKSA-N 2 2 339.439 1.713 20 0 EDADLP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3c(F)ccc(O)c3F)C2)CC1 ZINC000816549191 593531244 /nfs/dbraw/zinc/53/12/44/593531244.db2.gz HHEFPUVNXDJWAF-LBPRGKRZSA-N 2 2 325.403 1.929 20 0 EDADLP OC[C@]1([C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)CCCO1 ZINC000815290390 593625751 /nfs/dbraw/zinc/62/57/51/593625751.db2.gz JOEHRYZKDCQUKA-MSOLQXFVSA-N 2 2 328.416 1.677 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C[NH3+] ZINC000817880073 593643750 /nfs/dbraw/zinc/64/37/50/593643750.db2.gz LKUXVSVTCXTSLV-GRYCIOLGSA-N 2 2 331.420 1.512 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C[NH3+] ZINC000817880073 593643752 /nfs/dbraw/zinc/64/37/52/593643752.db2.gz LKUXVSVTCXTSLV-GRYCIOLGSA-N 2 2 331.420 1.512 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817982996 593653311 /nfs/dbraw/zinc/65/33/11/593653311.db2.gz XLJDJTCXRBPAGH-UHOSZYNNSA-N 2 2 333.476 1.244 20 0 EDADLP C[C@H](NC[C@H]1C[NH2+]CCCO1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000817982996 593653313 /nfs/dbraw/zinc/65/33/13/593653313.db2.gz XLJDJTCXRBPAGH-UHOSZYNNSA-N 2 2 333.476 1.244 20 0 EDADLP C[C@H](NC[C@H]1C[NH2+]CCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000817982996 593653315 /nfs/dbraw/zinc/65/33/15/593653315.db2.gz XLJDJTCXRBPAGH-UHOSZYNNSA-N 2 2 333.476 1.244 20 0 EDADLP CCN(CC)C(=O)C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000818975167 593731523 /nfs/dbraw/zinc/73/15/23/593731523.db2.gz JOSVSBCCEKBCSX-OAHLLOKOSA-N 2 2 332.448 1.472 20 0 EDADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819020642 593734222 /nfs/dbraw/zinc/73/42/22/593734222.db2.gz GQLQMMDUQSQECC-JKSUJKDBSA-N 2 2 341.496 1.678 20 0 EDADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000819020642 593734223 /nfs/dbraw/zinc/73/42/23/593734223.db2.gz GQLQMMDUQSQECC-JKSUJKDBSA-N 2 2 341.496 1.678 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819049136 593735786 /nfs/dbraw/zinc/73/57/86/593735786.db2.gz GRRCLFKUNYEWLI-WFASDCNBSA-N 2 2 332.275 1.862 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819049136 593735787 /nfs/dbraw/zinc/73/57/87/593735787.db2.gz GRRCLFKUNYEWLI-WFASDCNBSA-N 2 2 332.275 1.862 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000820657786 593854668 /nfs/dbraw/zinc/85/46/68/593854668.db2.gz MWIFQLBCKAIQOO-DAXOMENPSA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000820657786 593854672 /nfs/dbraw/zinc/85/46/72/593854672.db2.gz MWIFQLBCKAIQOO-DAXOMENPSA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000820657786 593854674 /nfs/dbraw/zinc/85/46/74/593854674.db2.gz MWIFQLBCKAIQOO-DAXOMENPSA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000820657786 593854678 /nfs/dbraw/zinc/85/46/78/593854678.db2.gz MWIFQLBCKAIQOO-DAXOMENPSA-N 2 2 330.436 1.315 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000824157194 593940961 /nfs/dbraw/zinc/94/09/61/593940961.db2.gz ZSKPVAHEAUSGKD-JKSUJKDBSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000824157194 593940962 /nfs/dbraw/zinc/94/09/62/593940962.db2.gz ZSKPVAHEAUSGKD-JKSUJKDBSA-N 2 2 340.431 1.503 20 0 EDADLP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1-c1nn[nH]n1 ZINC000821804286 593943710 /nfs/dbraw/zinc/94/37/10/593943710.db2.gz LANRSTYJHLNOKS-AAEUAGOBSA-N 2 2 328.420 1.590 20 0 EDADLP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1-c1nn[nH]n1 ZINC000821804286 593943711 /nfs/dbraw/zinc/94/37/11/593943711.db2.gz LANRSTYJHLNOKS-AAEUAGOBSA-N 2 2 328.420 1.590 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000821397043 594036923 /nfs/dbraw/zinc/03/69/23/594036923.db2.gz YOTJKWXXIPWZID-AWEZNQCLSA-N 2 2 328.526 1.187 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000821397043 594036924 /nfs/dbraw/zinc/03/69/24/594036924.db2.gz YOTJKWXXIPWZID-AWEZNQCLSA-N 2 2 328.526 1.187 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824570190 594040527 /nfs/dbraw/zinc/04/05/27/594040527.db2.gz LVEFINOIJXCBBA-GXTWGEPZSA-N 2 2 348.426 1.503 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824976110 594108891 /nfs/dbraw/zinc/10/88/91/594108891.db2.gz MZDJUZKTBWSISH-LRDDRELGSA-N 2 2 328.420 1.318 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824976110 594108892 /nfs/dbraw/zinc/10/88/92/594108892.db2.gz MZDJUZKTBWSISH-LRDDRELGSA-N 2 2 328.420 1.318 20 0 EDADLP Cc1cc2[nH+]cn(CCc3noc(C[C@H]4COCC[NH2+]4)n3)c2cc1C ZINC000823287060 594180515 /nfs/dbraw/zinc/18/05/15/594180515.db2.gz IELKJNDGKZCIGO-AWEZNQCLSA-N 2 2 341.415 1.810 20 0 EDADLP [NH3+]Cc1cccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000825803213 594250565 /nfs/dbraw/zinc/25/05/65/594250565.db2.gz QRHXGFSHWJNCEB-IBGZPJMESA-N 2 2 339.439 1.776 20 0 EDADLP [NH3+]Cc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000825803213 594250566 /nfs/dbraw/zinc/25/05/66/594250566.db2.gz QRHXGFSHWJNCEB-IBGZPJMESA-N 2 2 339.439 1.776 20 0 EDADLP COCCC[NH+]1CCC(Nc2[nH+]c(C)ccc2-c2nn[nH]n2)CC1 ZINC000826155910 594352207 /nfs/dbraw/zinc/35/22/07/594352207.db2.gz HKEYQCUWYQWGGI-UHFFFAOYSA-N 2 2 331.424 1.483 20 0 EDADLP COCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158137 594353836 /nfs/dbraw/zinc/35/38/36/594353836.db2.gz BMTUSYIIVDBRRM-UHFFFAOYSA-N 2 2 341.419 1.602 20 0 EDADLP COCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158137 594353839 /nfs/dbraw/zinc/35/38/39/594353839.db2.gz BMTUSYIIVDBRRM-UHFFFAOYSA-N 2 2 341.419 1.602 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1-c1nn[nH]n1 ZINC000826194307 594372265 /nfs/dbraw/zinc/37/22/65/594372265.db2.gz IMXRROLYFDOTFZ-CQSZACIVSA-N 2 2 339.403 1.909 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1-c1nn[nH]n1 ZINC000826194307 594372267 /nfs/dbraw/zinc/37/22/67/594372267.db2.gz IMXRROLYFDOTFZ-CQSZACIVSA-N 2 2 339.403 1.909 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[NH+](Cc3ccco3)CC2)[nH+]1 ZINC000826262476 594402687 /nfs/dbraw/zinc/40/26/87/594402687.db2.gz PQPJSPXNMPKGSH-UHFFFAOYSA-N 2 2 339.403 1.794 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000826276670 594407911 /nfs/dbraw/zinc/40/79/11/594407911.db2.gz RBIGOYQXMQIVFZ-OKILXGFUSA-N 2 2 345.451 1.871 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000826276670 594407912 /nfs/dbraw/zinc/40/79/12/594407912.db2.gz RBIGOYQXMQIVFZ-OKILXGFUSA-N 2 2 345.451 1.871 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]1 ZINC000826276253 594407919 /nfs/dbraw/zinc/40/79/19/594407919.db2.gz YSBDEYLUBKSMEI-CQSZACIVSA-N 2 2 343.435 1.625 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826331547 594430312 /nfs/dbraw/zinc/43/03/12/594430312.db2.gz NGMYMRVKUXHHAV-UHFFFAOYSA-N 2 2 338.419 1.194 20 0 EDADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828546681 594449744 /nfs/dbraw/zinc/44/97/44/594449744.db2.gz HVVPFDUCTTWKSR-GOEBONIOSA-N 2 2 328.416 1.358 20 0 EDADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828546681 594449746 /nfs/dbraw/zinc/44/97/46/594449746.db2.gz HVVPFDUCTTWKSR-GOEBONIOSA-N 2 2 328.416 1.358 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)CC[N@@H+]1C ZINC000828773138 594500407 /nfs/dbraw/zinc/50/04/07/594500407.db2.gz AQVPGLQBTBKWFS-ZDUSSCGKSA-N 2 2 326.444 1.932 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)CC[N@H+]1C ZINC000828773138 594500409 /nfs/dbraw/zinc/50/04/09/594500409.db2.gz AQVPGLQBTBKWFS-ZDUSSCGKSA-N 2 2 326.444 1.932 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC[NH+]1C ZINC000828773138 594500411 /nfs/dbraw/zinc/50/04/11/594500411.db2.gz AQVPGLQBTBKWFS-ZDUSSCGKSA-N 2 2 326.444 1.932 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC[NH+]1C ZINC000828773138 594500413 /nfs/dbraw/zinc/50/04/13/594500413.db2.gz AQVPGLQBTBKWFS-ZDUSSCGKSA-N 2 2 326.444 1.932 20 0 EDADLP c1cn2c([nH+]1)[C@H](CNc1[nH+]c3c(cc1-c1nn[nH]n1)CCC3)CCC2 ZINC000826525021 594518219 /nfs/dbraw/zinc/51/82/19/594518219.db2.gz SHPGJKINBMVUIE-LBPRGKRZSA-N 2 2 336.403 1.936 20 0 EDADLP COC(=O)c1nc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)ccc1Cl ZINC000826977475 594615277 /nfs/dbraw/zinc/61/52/77/594615277.db2.gz HRENMASIHVHVPZ-UHFFFAOYSA-N 2 2 337.811 1.611 20 0 EDADLP CN1CC[NH+](C2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000827467717 594674797 /nfs/dbraw/zinc/67/47/97/594674797.db2.gz GXFHRADPOLOXAD-UHFFFAOYSA-N 2 2 341.459 1.115 20 0 EDADLP CCO[C@H](CNC(=O)CCn1c(C)[nH+]c2ccccc21)C[NH+](C)C ZINC000831724742 594696505 /nfs/dbraw/zinc/69/65/05/594696505.db2.gz RSKCJRQVROVEKW-OAHLLOKOSA-N 2 2 332.448 1.818 20 0 EDADLP CCO[C@@H](CNC(=O)Cn1c(CC)[nH+]c2ccccc21)C[NH+](C)C ZINC000831731612 594697223 /nfs/dbraw/zinc/69/72/23/594697223.db2.gz QGIYKOOQNBPCHT-AWEZNQCLSA-N 2 2 332.448 1.682 20 0 EDADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000831873269 594708626 /nfs/dbraw/zinc/70/86/26/594708626.db2.gz JZFKEWHCMOLYRT-ROUUACIJSA-N 2 2 349.450 1.752 20 0 EDADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000831873269 594708627 /nfs/dbraw/zinc/70/86/27/594708627.db2.gz JZFKEWHCMOLYRT-ROUUACIJSA-N 2 2 349.450 1.752 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000831971725 594715778 /nfs/dbraw/zinc/71/57/78/594715778.db2.gz USPNYCOXFSUSLX-KRWDZBQOSA-N 2 2 348.491 1.340 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000831971725 594715779 /nfs/dbraw/zinc/71/57/79/594715779.db2.gz USPNYCOXFSUSLX-KRWDZBQOSA-N 2 2 348.491 1.340 20 0 EDADLP [NH3+]CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000841292539 594882328 /nfs/dbraw/zinc/88/23/28/594882328.db2.gz YSYIGOANMQWDMG-UHFFFAOYSA-N 2 2 344.415 1.967 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1[nH+]ccn1C ZINC000841667371 594932657 /nfs/dbraw/zinc/93/26/57/594932657.db2.gz CDGOMPHFXBHVRT-ZUEPYMLJSA-N 2 2 343.431 1.649 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000836517969 594971112 /nfs/dbraw/zinc/97/11/12/594971112.db2.gz UNXXYCNWZQXCBQ-JKSUJKDBSA-N 2 2 325.416 1.902 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000836517969 594971113 /nfs/dbraw/zinc/97/11/13/594971113.db2.gz UNXXYCNWZQXCBQ-JKSUJKDBSA-N 2 2 325.416 1.902 20 0 EDADLP CC(C)n1cc2c(n1)[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])CCC2 ZINC000841878692 594972229 /nfs/dbraw/zinc/97/22/29/594972229.db2.gz SINVQEXDFRDJLR-GJZGRUSLSA-N 2 2 334.468 1.126 20 0 EDADLP CC(C)n1cc2c(n1)[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])CCC2 ZINC000841878692 594972231 /nfs/dbraw/zinc/97/22/31/594972231.db2.gz SINVQEXDFRDJLR-GJZGRUSLSA-N 2 2 334.468 1.126 20 0 EDADLP COC[C@H](C[N@@H+]1CCO[C@H](C)C1)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845614229 595032473 /nfs/dbraw/zinc/03/24/73/595032473.db2.gz JDVVWKZLBMLQTF-ZNMIVQPWSA-N 2 2 325.409 1.113 20 0 EDADLP COC[C@H](C[N@H+]1CCO[C@H](C)C1)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845614229 595032478 /nfs/dbraw/zinc/03/24/78/595032478.db2.gz JDVVWKZLBMLQTF-ZNMIVQPWSA-N 2 2 325.409 1.113 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC([NH3+])CC1 ZINC000843345081 595081569 /nfs/dbraw/zinc/08/15/69/595081569.db2.gz QFXKPLSZXLGSDJ-AWEZNQCLSA-N 2 2 332.448 1.273 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843353943 595084176 /nfs/dbraw/zinc/08/41/76/595084176.db2.gz RFJDFIPTSKSHKY-TUAOUCFPSA-N 2 2 331.420 1.655 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843353943 595084177 /nfs/dbraw/zinc/08/41/77/595084177.db2.gz RFJDFIPTSKSHKY-TUAOUCFPSA-N 2 2 331.420 1.655 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000843353883 595084817 /nfs/dbraw/zinc/08/48/17/595084817.db2.gz QAQPXLJNVOEZMY-GOEBONIOSA-N 2 2 346.475 1.680 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000843353883 595084821 /nfs/dbraw/zinc/08/48/21/595084821.db2.gz QAQPXLJNVOEZMY-GOEBONIOSA-N 2 2 346.475 1.680 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000843356136 595085789 /nfs/dbraw/zinc/08/57/89/595085789.db2.gz RJFBFRLIJIWUIU-LJQANCHMSA-N 2 2 346.475 1.393 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000843361238 595088012 /nfs/dbraw/zinc/08/80/12/595088012.db2.gz BPLFHKNXGIFOLB-WTXIUTQJSA-N 2 2 345.443 1.287 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000843361238 595088016 /nfs/dbraw/zinc/08/80/16/595088016.db2.gz BPLFHKNXGIFOLB-WTXIUTQJSA-N 2 2 345.443 1.287 20 0 EDADLP COc1cccc2cc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)oc21 ZINC000843065586 595278666 /nfs/dbraw/zinc/27/86/66/595278666.db2.gz NZIARDBHYQCINV-HNNXBMFYSA-N 2 2 343.427 1.838 20 0 EDADLP COc1cccc2cc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)oc21 ZINC000843065586 595278667 /nfs/dbraw/zinc/27/86/67/595278667.db2.gz NZIARDBHYQCINV-HNNXBMFYSA-N 2 2 343.427 1.838 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(N2CCCCC2)cc1 ZINC000844223413 595308098 /nfs/dbraw/zinc/30/80/98/595308098.db2.gz WKIWJSONDBGBCS-IYBDPMFKSA-N 2 2 328.460 1.767 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(N2CCCCC2)cc1 ZINC000844223413 595308101 /nfs/dbraw/zinc/30/81/01/595308101.db2.gz WKIWJSONDBGBCS-IYBDPMFKSA-N 2 2 328.460 1.767 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000846915220 595337013 /nfs/dbraw/zinc/33/70/13/595337013.db2.gz QPCCAJIFPGWUCN-RHSMWYFYSA-N 2 2 334.464 1.570 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000846915220 595337015 /nfs/dbraw/zinc/33/70/15/595337015.db2.gz QPCCAJIFPGWUCN-RHSMWYFYSA-N 2 2 334.464 1.570 20 0 EDADLP Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=S)NCC[NH+](C)C ZINC000844587270 595361829 /nfs/dbraw/zinc/36/18/29/595361829.db2.gz XPHXOLUQCTXQPM-HNNXBMFYSA-N 2 2 331.489 1.730 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000847304733 595391384 /nfs/dbraw/zinc/39/13/84/595391384.db2.gz ABBMAWPYHNJGBV-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000847304733 595391387 /nfs/dbraw/zinc/39/13/87/595391387.db2.gz ABBMAWPYHNJGBV-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)OC(=O)N1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000848535294 595403762 /nfs/dbraw/zinc/40/37/62/595403762.db2.gz YBKGOSXNAZZQEQ-KRWDZBQOSA-N 2 2 339.480 1.839 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc(Cl)c(F)c3)C2)CC1 ZINC000847485432 595431619 /nfs/dbraw/zinc/43/16/19/595431619.db2.gz DDCIHNYXUZWJEV-LBPRGKRZSA-N 2 2 340.830 1.772 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc(Cl)c(F)c3)C2)CC1 ZINC000847485432 595431621 /nfs/dbraw/zinc/43/16/21/595431621.db2.gz DDCIHNYXUZWJEV-LBPRGKRZSA-N 2 2 340.830 1.772 20 0 EDADLP C/C(=C\c1ccncc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000847488737 595432512 /nfs/dbraw/zinc/43/25/12/595432512.db2.gz CWQANWKJVUHHRH-FOCLMDBBSA-N 2 2 330.476 1.969 20 0 EDADLP C/C(=C\c1ccncc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000847488737 595432513 /nfs/dbraw/zinc/43/25/13/595432513.db2.gz CWQANWKJVUHHRH-FOCLMDBBSA-N 2 2 330.476 1.969 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)[C@@H](Cc2ccccc2)C1 ZINC000845226909 595464703 /nfs/dbraw/zinc/46/47/03/595464703.db2.gz WSKZAOVANJJVHQ-DLBZAZTESA-N 2 2 339.443 1.896 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)[C@@H](Cc2ccccc2)C1 ZINC000845226909 595464705 /nfs/dbraw/zinc/46/47/05/595464705.db2.gz WSKZAOVANJJVHQ-DLBZAZTESA-N 2 2 339.443 1.896 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2ccns2)C1 ZINC000860051920 595558620 /nfs/dbraw/zinc/55/86/20/595558620.db2.gz QDLKNHUCJNPVAX-KGLIPLIRSA-N 2 2 340.493 1.267 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2ccns2)C1 ZINC000860051920 595558626 /nfs/dbraw/zinc/55/86/26/595558626.db2.gz QDLKNHUCJNPVAX-KGLIPLIRSA-N 2 2 340.493 1.267 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C2=NO[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000852859557 595581037 /nfs/dbraw/zinc/58/10/37/595581037.db2.gz WWKKNPLBGHQFMP-UMVBOHGHSA-N 2 2 346.431 1.338 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccn1 ZINC000853109648 595667123 /nfs/dbraw/zinc/66/71/23/595667123.db2.gz PGGJHPZIYLUVCT-BJLQDIEVSA-N 2 2 341.455 1.588 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccn1 ZINC000853109648 595667124 /nfs/dbraw/zinc/66/71/24/595667124.db2.gz PGGJHPZIYLUVCT-BJLQDIEVSA-N 2 2 341.455 1.588 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[N@H+]3CCC[C@H]3C)cc2[nH+]1 ZINC000850384667 595824177 /nfs/dbraw/zinc/82/41/77/595824177.db2.gz OBPNQYZDQXEGOE-CYBMUJFWSA-N 2 2 329.404 1.182 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@H]3C)cc2[nH+]1 ZINC000850384667 595824178 /nfs/dbraw/zinc/82/41/78/595824178.db2.gz OBPNQYZDQXEGOE-CYBMUJFWSA-N 2 2 329.404 1.182 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+](CC3CC3)C2)CCO1 ZINC000853607758 595829640 /nfs/dbraw/zinc/82/96/40/595829640.db2.gz URURAMIKYIYYHE-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+](CC3CC3)C2)CCO1 ZINC000853607758 595829642 /nfs/dbraw/zinc/82/96/42/595829642.db2.gz URURAMIKYIYYHE-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CCO1 ZINC000853607758 595829645 /nfs/dbraw/zinc/82/96/45/595829645.db2.gz URURAMIKYIYYHE-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCO1 ZINC000853607758 595829649 /nfs/dbraw/zinc/82/96/49/595829649.db2.gz URURAMIKYIYYHE-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP Cc1nocc1CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000853686439 595854985 /nfs/dbraw/zinc/85/49/85/595854985.db2.gz ZXHPSCABQZNGLG-INIZCTEOSA-N 2 2 330.388 1.882 20 0 EDADLP Cc1nocc1CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000853686439 595854988 /nfs/dbraw/zinc/85/49/88/595854988.db2.gz ZXHPSCABQZNGLG-INIZCTEOSA-N 2 2 330.388 1.882 20 0 EDADLP C[C@@H](CCNc1[nH+]cnc2c1c(Br)nn2C)[NH+](C)C ZINC000853798730 595883927 /nfs/dbraw/zinc/88/39/27/595883927.db2.gz JNKWVTBRLVYPPR-QMMMGPOBSA-N 2 2 327.230 1.878 20 0 EDADLP CC(C)[NH2+]Cc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000854146748 595989633 /nfs/dbraw/zinc/98/96/33/595989633.db2.gz FFRQZOCEEAKATA-UHFFFAOYSA-N 2 2 344.419 1.017 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000852008497 596006317 /nfs/dbraw/zinc/00/63/17/596006317.db2.gz VQHKXCAJZWXRDY-CYBMUJFWSA-N 2 2 339.402 1.078 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000852008497 596006321 /nfs/dbraw/zinc/00/63/21/596006321.db2.gz VQHKXCAJZWXRDY-CYBMUJFWSA-N 2 2 339.402 1.078 20 0 EDADLP CCn1ncnc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585013 596023667 /nfs/dbraw/zinc/02/36/67/596023667.db2.gz XHGVFQVIJTYWQM-KRWDZBQOSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1ncnc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585013 596023672 /nfs/dbraw/zinc/02/36/72/596023672.db2.gz XHGVFQVIJTYWQM-KRWDZBQOSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1ncnc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585013 596023676 /nfs/dbraw/zinc/02/36/76/596023676.db2.gz XHGVFQVIJTYWQM-KRWDZBQOSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1ncnc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856585013 596023680 /nfs/dbraw/zinc/02/36/80/596023680.db2.gz XHGVFQVIJTYWQM-KRWDZBQOSA-N 2 2 344.463 1.798 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000852122837 596051446 /nfs/dbraw/zinc/05/14/46/596051446.db2.gz CKERQBZACOVCBK-OAHLLOKOSA-N 2 2 325.453 1.042 20 0 EDADLP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)c2)C1 ZINC000857158104 596171718 /nfs/dbraw/zinc/17/17/18/596171718.db2.gz MJQCTVNHQSAYQM-OALUTQOASA-N 2 2 342.487 1.225 20 0 EDADLP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)c2)C1 ZINC000857158104 596171721 /nfs/dbraw/zinc/17/17/21/596171721.db2.gz MJQCTVNHQSAYQM-OALUTQOASA-N 2 2 342.487 1.225 20 0 EDADLP COC(=O)N(C)CC[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000852569008 596200063 /nfs/dbraw/zinc/20/00/63/596200063.db2.gz YNVWOUMLMURASB-UHFFFAOYSA-N 2 2 348.491 1.829 20 0 EDADLP COC(=O)N(C)CC[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000852569008 596200064 /nfs/dbraw/zinc/20/00/64/596200064.db2.gz YNVWOUMLMURASB-UHFFFAOYSA-N 2 2 348.491 1.829 20 0 EDADLP C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)NC(=O)OC(C)(C)C ZINC000852708156 596231378 /nfs/dbraw/zinc/23/13/78/596231378.db2.gz RZVWASFDGNDYKR-ZFWWWQNUSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)NC(=O)OC(C)(C)C ZINC000852708156 596231380 /nfs/dbraw/zinc/23/13/80/596231380.db2.gz RZVWASFDGNDYKR-ZFWWWQNUSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000866519051 596238321 /nfs/dbraw/zinc/23/83/21/596238321.db2.gz LFVZCEHCZKAQGF-RDTXWAMCSA-N 2 2 342.399 1.744 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000866575243 596255847 /nfs/dbraw/zinc/25/58/47/596255847.db2.gz LTMMDQYNQUOGRV-RDTXWAMCSA-N 2 2 328.460 1.784 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000866575243 596255849 /nfs/dbraw/zinc/25/58/49/596255849.db2.gz LTMMDQYNQUOGRV-RDTXWAMCSA-N 2 2 328.460 1.784 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2c(I)cnn2C)CC[N@@H+]1C ZINC000866630438 596272481 /nfs/dbraw/zinc/27/24/81/596272481.db2.gz PSFLQDZQRICDBO-VHSXEESVSA-N 2 2 348.232 1.597 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2c(I)cnn2C)CC[N@H+]1C ZINC000866630438 596272482 /nfs/dbraw/zinc/27/24/82/596272482.db2.gz PSFLQDZQRICDBO-VHSXEESVSA-N 2 2 348.232 1.597 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)Cc3ccc[nH+]c3N2C1 ZINC000870537570 596275911 /nfs/dbraw/zinc/27/59/11/596275911.db2.gz LNQIYSYBHMYRST-GVDBMIGSSA-N 2 2 346.475 1.604 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000864603044 596278845 /nfs/dbraw/zinc/27/88/45/596278845.db2.gz ZYBRWJRMCDLGEG-UHFFFAOYSA-N 2 2 339.374 1.760 20 0 EDADLP O=C([C@H]1CCC[N@@H+](CC(F)F)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000864603002 596278976 /nfs/dbraw/zinc/27/89/76/596278976.db2.gz YLCPFHFJXTWDSA-AWEZNQCLSA-N 2 2 338.402 1.707 20 0 EDADLP O=C([C@H]1CCC[N@H+](CC(F)F)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000864603002 596278977 /nfs/dbraw/zinc/27/89/77/596278977.db2.gz YLCPFHFJXTWDSA-AWEZNQCLSA-N 2 2 338.402 1.707 20 0 EDADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842368 596297159 /nfs/dbraw/zinc/29/71/59/596297159.db2.gz NBNVAODKPKKMOE-NWDGAFQWSA-N 2 2 338.477 1.448 20 0 EDADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842368 596297161 /nfs/dbraw/zinc/29/71/61/596297161.db2.gz NBNVAODKPKKMOE-NWDGAFQWSA-N 2 2 338.477 1.448 20 0 EDADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842368 596297163 /nfs/dbraw/zinc/29/71/63/596297163.db2.gz NBNVAODKPKKMOE-NWDGAFQWSA-N 2 2 338.477 1.448 20 0 EDADLP C[C@@H](C(=O)Nc1sccc1C(N)=O)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842368 596297165 /nfs/dbraw/zinc/29/71/65/596297165.db2.gz NBNVAODKPKKMOE-NWDGAFQWSA-N 2 2 338.477 1.448 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000870861189 596380076 /nfs/dbraw/zinc/38/00/76/596380076.db2.gz HUXYCXVFAZVEHZ-MJQMVNBJSA-N 2 2 329.444 1.304 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)([NH+]2CCCCC2)CC1 ZINC000870893971 596393231 /nfs/dbraw/zinc/39/32/31/596393231.db2.gz BVOGYONTQOWATJ-QAQDUYKDSA-N 3 2 336.524 1.570 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000870913513 596400884 /nfs/dbraw/zinc/40/08/84/596400884.db2.gz CJEIHWLTVCQHAI-KGLIPLIRSA-N 2 2 330.407 1.864 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870957738 596418068 /nfs/dbraw/zinc/41/80/68/596418068.db2.gz VKMMRXCRDNRFMK-OTWHNJEPSA-N 2 2 344.503 1.436 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870957738 596418070 /nfs/dbraw/zinc/41/80/70/596418070.db2.gz VKMMRXCRDNRFMK-OTWHNJEPSA-N 2 2 344.503 1.436 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)[C@@H](Cc2ccccc2)C1 ZINC000869149401 596424784 /nfs/dbraw/zinc/42/47/84/596424784.db2.gz OMIRQTKJYJMSLV-MEQKGCOVSA-N 2 2 343.471 1.260 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/C[NH+]2CCOCC2)[C@@H](Cc2ccccc2)C1 ZINC000869149401 596424788 /nfs/dbraw/zinc/42/47/88/596424788.db2.gz OMIRQTKJYJMSLV-MEQKGCOVSA-N 2 2 343.471 1.260 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)c3coc(C[NH3+])c3)C2)c1 ZINC000870978001 596424910 /nfs/dbraw/zinc/42/49/10/596424910.db2.gz OPISAFRGEOFDRJ-SFHVURJKSA-N 2 2 343.427 1.678 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3coc(C[NH3+])c3)C2)c1 ZINC000870978001 596424914 /nfs/dbraw/zinc/42/49/14/596424914.db2.gz OPISAFRGEOFDRJ-SFHVURJKSA-N 2 2 343.427 1.678 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CC[C@@H]3CCC[NH2+]3)C2)c1 ZINC000870978644 596426110 /nfs/dbraw/zinc/42/61/10/596426110.db2.gz XXWSVLRDMBCVRB-RBUKOAKNSA-N 2 2 345.487 1.844 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CC[C@@H]3CCC[NH2+]3)C2)c1 ZINC000870978644 596426112 /nfs/dbraw/zinc/42/61/12/596426112.db2.gz XXWSVLRDMBCVRB-RBUKOAKNSA-N 2 2 345.487 1.844 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000867640013 596474931 /nfs/dbraw/zinc/47/49/31/596474931.db2.gz OFBVOSXMFKADDT-CYBMUJFWSA-N 2 2 348.422 1.320 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000867640013 596474932 /nfs/dbraw/zinc/47/49/32/596474932.db2.gz OFBVOSXMFKADDT-CYBMUJFWSA-N 2 2 348.422 1.320 20 0 EDADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869397377 596510487 /nfs/dbraw/zinc/51/04/87/596510487.db2.gz XYGIFRCSRQSSAS-QZTJIDSGSA-N 2 2 342.443 1.812 20 0 EDADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000869397377 596510489 /nfs/dbraw/zinc/51/04/89/596510489.db2.gz XYGIFRCSRQSSAS-QZTJIDSGSA-N 2 2 342.443 1.812 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C4CC4)cn3)cn2)CC1 ZINC000865410466 596566413 /nfs/dbraw/zinc/56/64/13/596566413.db2.gz VIBUIVJVDIWYBF-UHFFFAOYSA-N 2 2 326.448 1.655 20 0 EDADLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1C(C)(C)C ZINC000865434822 596573931 /nfs/dbraw/zinc/57/39/31/596573931.db2.gz SHHYDCNFXDOYHL-UHFFFAOYSA-N 2 2 333.476 1.856 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000865582493 596617335 /nfs/dbraw/zinc/61/73/35/596617335.db2.gz CRJJRZPVBSSPLU-HZPDHXFCSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000865582493 596617337 /nfs/dbraw/zinc/61/73/37/596617337.db2.gz CRJJRZPVBSSPLU-HZPDHXFCSA-N 2 2 341.496 1.822 20 0 EDADLP CON(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000863587174 596627756 /nfs/dbraw/zinc/62/77/56/596627756.db2.gz STABRVIOJOCASW-KGLIPLIRSA-N 2 2 334.420 1.012 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000867980496 596643120 /nfs/dbraw/zinc/64/31/20/596643120.db2.gz VLDQGTCMXZQPBM-INIZCTEOSA-N 2 2 339.374 1.584 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3CC[NH2+][C@@H]3C)C2)c1 ZINC000867997995 596648565 /nfs/dbraw/zinc/64/85/65/596648565.db2.gz NPZAXNQCVYRUPT-NXHRZFHOSA-N 2 2 331.460 1.310 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3CC[NH2+][C@@H]3C)C2)c1 ZINC000867997995 596648567 /nfs/dbraw/zinc/64/85/67/596648567.db2.gz NPZAXNQCVYRUPT-NXHRZFHOSA-N 2 2 331.460 1.310 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(c4ccccn4)CC3)C2)CC1 ZINC000865748831 596669214 /nfs/dbraw/zinc/66/92/14/596669214.db2.gz FLWNAAJBIWKVOL-HNNXBMFYSA-N 2 2 328.460 1.398 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(c4ccccn4)CC3)C2)CC1 ZINC000865748831 596669216 /nfs/dbraw/zinc/66/92/16/596669216.db2.gz FLWNAAJBIWKVOL-HNNXBMFYSA-N 2 2 328.460 1.398 20 0 EDADLP COc1cnc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000865749312 596669766 /nfs/dbraw/zinc/66/97/66/596669766.db2.gz CUWDJPQNTJQPPH-GFCCVEGCSA-N 2 2 336.411 1.128 20 0 EDADLP COc1cnc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000865749312 596669769 /nfs/dbraw/zinc/66/97/69/596669769.db2.gz CUWDJPQNTJQPPH-GFCCVEGCSA-N 2 2 336.411 1.128 20 0 EDADLP CCOCCCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865750100 596670492 /nfs/dbraw/zinc/67/04/92/596670492.db2.gz KFQLGCNJWAETIH-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP CCOCCCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865750100 596670494 /nfs/dbraw/zinc/67/04/94/596670494.db2.gz KFQLGCNJWAETIH-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@]23COC(=O)N2CCOC3)C[N@@H+]1Cc1ccccc1 ZINC000865770618 596676473 /nfs/dbraw/zinc/67/64/73/596676473.db2.gz UBEIJMSADRGKEY-SUMDDJOVSA-N 2 2 345.443 1.460 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@]23COC(=O)N2CCOC3)C[N@H+]1Cc1ccccc1 ZINC000865770618 596676475 /nfs/dbraw/zinc/67/64/75/596676475.db2.gz UBEIJMSADRGKEY-SUMDDJOVSA-N 2 2 345.443 1.460 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000868156175 596704722 /nfs/dbraw/zinc/70/47/22/596704722.db2.gz BFXUSUSZAOXTKX-ZXYDQQDNSA-N 2 2 343.471 1.260 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000868156175 596704725 /nfs/dbraw/zinc/70/47/25/596704725.db2.gz BFXUSUSZAOXTKX-ZXYDQQDNSA-N 2 2 343.471 1.260 20 0 EDADLP CC1CCC([NH+]2CCN(C(=O)/C=C\C[NH+]3CCOCC3)CC2)CC1 ZINC000865901060 596715718 /nfs/dbraw/zinc/71/57/18/596715718.db2.gz KBEIEVVMVQRAIR-IHWYPQMZSA-N 2 2 335.492 1.598 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000868217976 596730568 /nfs/dbraw/zinc/73/05/68/596730568.db2.gz XPQHZHJUHHKAGT-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000868217976 596730570 /nfs/dbraw/zinc/73/05/70/596730570.db2.gz XPQHZHJUHHKAGT-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000868217976 596730572 /nfs/dbraw/zinc/73/05/72/596730572.db2.gz XPQHZHJUHHKAGT-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000868217976 596730573 /nfs/dbraw/zinc/73/05/73/596730573.db2.gz XPQHZHJUHHKAGT-JZXOWHBKSA-N 2 2 344.459 1.336 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870089754 596745454 /nfs/dbraw/zinc/74/54/54/596745454.db2.gz IXSLQQURUDMOBH-YOEHRIQHSA-N 2 2 326.400 1.324 20 0 EDADLP CCCCNc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc(N)[nH+]1 ZINC000866011197 596756934 /nfs/dbraw/zinc/75/69/34/596756934.db2.gz AGQPCBJOGBQUDX-HUUCEWRRSA-N 3 2 349.527 1.446 20 0 EDADLP CCCCNc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH+]c(N)n1 ZINC000866011197 596756937 /nfs/dbraw/zinc/75/69/37/596756937.db2.gz AGQPCBJOGBQUDX-HUUCEWRRSA-N 3 2 349.527 1.446 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)[nH+]c2c1 ZINC000868278255 596760356 /nfs/dbraw/zinc/76/03/56/596760356.db2.gz AJVGIMFLFVTJRL-HOCLYGCPSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1ccn2cc(CNC(=O)N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)[nH+]c2c1 ZINC000868278255 596760357 /nfs/dbraw/zinc/76/03/57/596760357.db2.gz AJVGIMFLFVTJRL-HOCLYGCPSA-N 2 2 327.432 1.878 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)C[C@@H]1C(F)(F)F ZINC000872148729 596811984 /nfs/dbraw/zinc/81/19/84/596811984.db2.gz QMNYJUWGLPJYJM-AAEUAGOBSA-N 2 2 333.329 1.511 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)C[C@@H]1C(F)(F)F ZINC000872148729 596811988 /nfs/dbraw/zinc/81/19/88/596811988.db2.gz QMNYJUWGLPJYJM-AAEUAGOBSA-N 2 2 333.329 1.511 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872153193 596814223 /nfs/dbraw/zinc/81/42/23/596814223.db2.gz BAIHGIGKPYSVTH-FXAWDEMLSA-N 2 2 345.487 1.846 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872153193 596814225 /nfs/dbraw/zinc/81/42/25/596814225.db2.gz BAIHGIGKPYSVTH-FXAWDEMLSA-N 2 2 345.487 1.846 20 0 EDADLP CC(C)(O)C[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000872198724 596831570 /nfs/dbraw/zinc/83/15/70/596831570.db2.gz YTUNWQUCMBVXHP-GOSISDBHSA-N 2 2 335.492 1.310 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCC[C@@H]3CCOC3=O)c2cc1C ZINC000872244474 596852071 /nfs/dbraw/zinc/85/20/71/596852071.db2.gz LRALYNQVWYNDDI-CVEARBPZSA-N 2 2 345.443 1.947 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3)C[C@H]2[NH3+])c1 ZINC000864341299 596857372 /nfs/dbraw/zinc/85/73/72/596857372.db2.gz CYLJGJUHXCJTSJ-GHMZBOCLSA-N 2 2 339.321 1.401 20 0 EDADLP C[N@H+](CCNC(=O)/C=C\C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000866352490 596864728 /nfs/dbraw/zinc/86/47/28/596864728.db2.gz XFZQIHKXCKMVJB-IHWYPQMZSA-N 2 2 335.423 1.262 20 0 EDADLP C[N@@H+](CCNC(=O)/C=C\C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000866352490 596864729 /nfs/dbraw/zinc/86/47/29/596864729.db2.gz XFZQIHKXCKMVJB-IHWYPQMZSA-N 2 2 335.423 1.262 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000866380436 596870791 /nfs/dbraw/zinc/87/07/91/596870791.db2.gz DZGJUWMZHYWZGY-CQSZACIVSA-N 2 2 346.406 1.197 20 0 EDADLP CN1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)Cc2ccc[nH+]c21 ZINC000872309291 596876516 /nfs/dbraw/zinc/87/65/16/596876516.db2.gz QWZGMYQDLKGMNK-UHFFFAOYSA-N 2 2 341.415 1.758 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@@H]3CCCCN3C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872596157 596981102 /nfs/dbraw/zinc/98/11/02/596981102.db2.gz SAZRRZDSQWOBKF-SQNIBIBYSA-N 2 2 349.523 1.192 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)nc(N)c2cc1OC ZINC000872778743 597064157 /nfs/dbraw/zinc/06/41/57/597064157.db2.gz BLYXKOIRFFIIKD-KBPBESRZSA-N 2 2 343.431 1.902 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4[C@@H]3CCC[N@H+]4C)nc(N)c2cc1OC ZINC000872778743 597064161 /nfs/dbraw/zinc/06/41/61/597064161.db2.gz BLYXKOIRFFIIKD-KBPBESRZSA-N 2 2 343.431 1.902 20 0 EDADLP CCOC(=O)[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000874468576 597094230 /nfs/dbraw/zinc/09/42/30/597094230.db2.gz KXRPZNGSVJKUJW-INIZCTEOSA-N 2 2 341.496 1.306 20 0 EDADLP CCOC(=O)[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000874468576 597094231 /nfs/dbraw/zinc/09/42/31/597094231.db2.gz KXRPZNGSVJKUJW-INIZCTEOSA-N 2 2 341.496 1.306 20 0 EDADLP CCOC(=O)[C@H]([NH2+]Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCCOC1 ZINC000873210345 597228394 /nfs/dbraw/zinc/22/83/94/597228394.db2.gz COIAAVGVSFIMPO-BLLLJJGKSA-N 2 2 338.473 1.842 20 0 EDADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(N)cn1 ZINC000873209673 597229118 /nfs/dbraw/zinc/22/91/18/597229118.db2.gz RYHDXTPBTBNWPX-UHFFFAOYSA-N 3 2 346.523 1.687 20 0 EDADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cnc(N)cn1 ZINC000873209673 597229119 /nfs/dbraw/zinc/22/91/19/597229119.db2.gz RYHDXTPBTBNWPX-UHFFFAOYSA-N 3 2 346.523 1.687 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000873230546 597235296 /nfs/dbraw/zinc/23/52/96/597235296.db2.gz TWTLADKBHSILEX-IEBWSBKVSA-N 2 2 347.459 1.584 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000873237679 597236081 /nfs/dbraw/zinc/23/60/81/597236081.db2.gz SRCCUYXYTSVTHQ-JSGCOSHPSA-N 2 2 325.478 1.763 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000875072832 597270381 /nfs/dbraw/zinc/27/03/81/597270381.db2.gz CGHXJFNOKPOQAZ-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000875072832 597270385 /nfs/dbraw/zinc/27/03/85/597270385.db2.gz CGHXJFNOKPOQAZ-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000875072832 597270387 /nfs/dbraw/zinc/27/03/87/597270387.db2.gz CGHXJFNOKPOQAZ-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000876713938 597300740 /nfs/dbraw/zinc/30/07/40/597300740.db2.gz QQWANJNDBCWHSF-GJZGRUSLSA-N 2 2 345.491 1.930 20 0 EDADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876735337 597312854 /nfs/dbraw/zinc/31/28/54/597312854.db2.gz DMAZRAMGKMOXAH-CZUORRHYSA-N 2 2 332.379 1.848 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876769857 597332307 /nfs/dbraw/zinc/33/23/07/597332307.db2.gz BDMFZZRHNCVCGX-WBVHZDCISA-N 2 2 335.423 1.713 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)([NH+]2CCCCC2)CC1 ZINC000876784823 597339502 /nfs/dbraw/zinc/33/95/02/597339502.db2.gz KZZZRRZNWQHDBE-JKSUJKDBSA-N 3 2 336.524 1.426 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000876892585 597372915 /nfs/dbraw/zinc/37/29/15/597372915.db2.gz LBPVTHNZTOOHFI-KSYCFECVSA-N 2 2 341.377 1.774 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000876892585 597372920 /nfs/dbraw/zinc/37/29/20/597372920.db2.gz LBPVTHNZTOOHFI-KSYCFECVSA-N 2 2 341.377 1.774 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)C1 ZINC000876900084 597377089 /nfs/dbraw/zinc/37/70/89/597377089.db2.gz VWDPAFMFSVYLNG-RDJZCZTQSA-N 2 2 348.491 1.007 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H](C)C1 ZINC000876900084 597377093 /nfs/dbraw/zinc/37/70/93/597377093.db2.gz VWDPAFMFSVYLNG-RDJZCZTQSA-N 2 2 348.491 1.007 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000877248179 597478175 /nfs/dbraw/zinc/47/81/75/597478175.db2.gz HJHXABCEDJMZSI-MOPGFXCFSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000877248179 597478178 /nfs/dbraw/zinc/47/81/78/597478178.db2.gz HJHXABCEDJMZSI-MOPGFXCFSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]3[NH2+]CCC3(C)C)C2)cc1 ZINC000877248212 597478444 /nfs/dbraw/zinc/47/84/44/597478444.db2.gz HVHWDUGPNPSNQL-MSOLQXFVSA-N 2 2 345.487 1.700 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]3[NH2+]CCC3(C)C)C2)cc1 ZINC000877248212 597478446 /nfs/dbraw/zinc/47/84/46/597478446.db2.gz HVHWDUGPNPSNQL-MSOLQXFVSA-N 2 2 345.487 1.700 20 0 EDADLP CCOC(=O)[C@@]1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCOC1 ZINC000877698974 597548722 /nfs/dbraw/zinc/54/87/22/597548722.db2.gz SVMOQKFCYVZHRY-MRXNPFEDSA-N 2 2 341.477 1.654 20 0 EDADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1c(I)cnn1C ZINC000877776334 597554759 /nfs/dbraw/zinc/55/47/59/597554759.db2.gz GJXDDCLCUWKVIJ-VIFPVBQESA-N 2 2 336.221 1.455 20 0 EDADLP COc1cccc(N2CC[NH+](CC(=O)NC3CC[NH+](C)CC3)CC2)c1 ZINC000877910265 597563493 /nfs/dbraw/zinc/56/34/93/597563493.db2.gz QHDLVPXYGKCHKW-UHFFFAOYSA-N 2 2 346.475 1.028 20 0 EDADLP C[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000878043187 597571602 /nfs/dbraw/zinc/57/16/02/597571602.db2.gz BFUKZOGXOJHAHW-UHFFFAOYSA-N 2 2 339.480 1.251 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nccn1CC(F)F ZINC000878311151 597594504 /nfs/dbraw/zinc/59/45/04/597594504.db2.gz BRAULXMVYSSOSW-UHFFFAOYSA-N 2 2 329.439 1.606 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nccn1CC(F)F ZINC000878311151 597594505 /nfs/dbraw/zinc/59/45/05/597594505.db2.gz BRAULXMVYSSOSW-UHFFFAOYSA-N 2 2 329.439 1.606 20 0 EDADLP Cn1ccc(-c2nc(C[N@H+](C)CCCN3CC[NH+](C)CC3)cs2)n1 ZINC000878315157 597594736 /nfs/dbraw/zinc/59/47/36/597594736.db2.gz HJECICJWYBEEQB-UHFFFAOYSA-N 2 2 348.520 1.613 20 0 EDADLP Cn1ccc(-c2nc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cs2)n1 ZINC000878315157 597594737 /nfs/dbraw/zinc/59/47/37/597594737.db2.gz HJECICJWYBEEQB-UHFFFAOYSA-N 2 2 348.520 1.613 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883035678 597626728 /nfs/dbraw/zinc/62/67/28/597626728.db2.gz LIXTUCPAGYHBHK-INIZCTEOSA-N 2 2 335.452 1.216 20 0 EDADLP COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)C2=O)cc1 ZINC000879580932 597642420 /nfs/dbraw/zinc/64/24/20/597642420.db2.gz WBOCQMGPHISLHU-UHOSZYNNSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(CN2CC[C@H]([N@H+]3CC[C@@H]4[C@@H](CC[NH+]4C)C3)C2=O)cc1 ZINC000879580932 597642422 /nfs/dbraw/zinc/64/24/22/597642422.db2.gz WBOCQMGPHISLHU-UHOSZYNNSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH+]3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)C2=O)cc1 ZINC000879580932 597642424 /nfs/dbraw/zinc/64/24/24/597642424.db2.gz WBOCQMGPHISLHU-UHOSZYNNSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH+]3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)C2=O)cc1 ZINC000879580932 597642426 /nfs/dbraw/zinc/64/24/26/597642426.db2.gz WBOCQMGPHISLHU-UHOSZYNNSA-N 2 2 343.471 1.822 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593280 597649233 /nfs/dbraw/zinc/64/92/33/597649233.db2.gz XCJRHKQVZJWCFK-KRWDZBQOSA-N 2 2 338.540 1.591 20 0 EDADLP OCC1(CO)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000879970868 597791264 /nfs/dbraw/zinc/79/12/64/597791264.db2.gz FYBBFGVONROUTK-UHFFFAOYSA-N 2 2 334.460 1.086 20 0 EDADLP CN(CC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000880252257 597883418 /nfs/dbraw/zinc/88/34/18/597883418.db2.gz CEVHCHUWHQCVKT-UHFFFAOYSA-N 2 2 344.503 1.929 20 0 EDADLP CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000879318919 597884815 /nfs/dbraw/zinc/88/48/15/597884815.db2.gz PQEVZVPFYRYMQE-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CO[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000879318919 597884817 /nfs/dbraw/zinc/88/48/17/597884817.db2.gz PQEVZVPFYRYMQE-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)CCN1c1cc[nH+]cc1 ZINC000880260010 597885802 /nfs/dbraw/zinc/88/58/02/597885802.db2.gz MBQMEWZERWNKAL-QAPCUYQASA-N 2 2 344.459 1.230 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)CCN1c1cc[nH+]cc1 ZINC000880260010 597885804 /nfs/dbraw/zinc/88/58/04/597885804.db2.gz MBQMEWZERWNKAL-QAPCUYQASA-N 2 2 344.459 1.230 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261493 597886160 /nfs/dbraw/zinc/88/61/60/597886160.db2.gz LEAZBQHXSPCNDZ-HOTGVXAUSA-N 2 2 334.464 1.523 20 0 EDADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261493 597886163 /nfs/dbraw/zinc/88/61/63/597886163.db2.gz LEAZBQHXSPCNDZ-HOTGVXAUSA-N 2 2 334.464 1.523 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([N@H+](C)CCCn3cc[nH+]c3)C2=O)cc1 ZINC000128571111 597997661 /nfs/dbraw/zinc/99/76/61/597997661.db2.gz PPIFNXWMNOSIFT-MRXNPFEDSA-N 2 2 326.400 1.846 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([N@@H+](C)CCCn3cc[nH+]c3)C2=O)cc1 ZINC000128571111 597997663 /nfs/dbraw/zinc/99/76/63/597997663.db2.gz PPIFNXWMNOSIFT-MRXNPFEDSA-N 2 2 326.400 1.846 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000939855255 699993099 /nfs/dbraw/zinc/99/30/99/699993099.db2.gz CDUBCCABDBECHJ-SUMWQHHRSA-N 2 2 346.406 1.151 20 0 EDADLP Cn1nccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992857784 695417567 /nfs/dbraw/zinc/41/75/67/695417567.db2.gz KNFFZAIOHAQKEY-FVQBIDKESA-N 2 2 342.447 1.103 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992908975 695445406 /nfs/dbraw/zinc/44/54/06/695445406.db2.gz BGRROQQWFPBDMM-OWCLPIDISA-N 2 2 343.431 1.596 20 0 EDADLP Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000174779661 695490824 /nfs/dbraw/zinc/49/08/24/695490824.db2.gz RJXHLXZRLWMNOU-SFHVURJKSA-N 2 2 331.460 1.268 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)cc1 ZINC000915042412 695720699 /nfs/dbraw/zinc/72/06/99/695720699.db2.gz YTETXUXVWYCAGT-QUCCMNQESA-N 2 2 345.487 1.348 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC2)cc1 ZINC000915042412 695720702 /nfs/dbraw/zinc/72/07/02/695720702.db2.gz YTETXUXVWYCAGT-QUCCMNQESA-N 2 2 345.487 1.348 20 0 EDADLP CCn1cc(CC[NH+]2CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)cn1 ZINC001031254383 696030421 /nfs/dbraw/zinc/03/04/21/696030421.db2.gz QZEYXQQWLCQSAJ-FUHWJXTLSA-N 2 2 347.507 1.366 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2C[NH+](CCOc3ccccc3)C2)C1 ZINC001031257195 696064539 /nfs/dbraw/zinc/06/45/39/696064539.db2.gz LVXIMBGQOSODNN-WMZOPIPTSA-N 2 2 345.487 1.986 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCC[N@@H+]1CC(=O)N(C)C ZINC000993610465 696257355 /nfs/dbraw/zinc/25/73/55/696257355.db2.gz FSNBXCDMCCITSQ-BBRMVZONSA-N 2 2 343.431 1.005 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCC[N@H+]1CC(=O)N(C)C ZINC000993610465 696257356 /nfs/dbraw/zinc/25/73/56/696257356.db2.gz FSNBXCDMCCITSQ-BBRMVZONSA-N 2 2 343.431 1.005 20 0 EDADLP Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)o1 ZINC000993763596 696361793 /nfs/dbraw/zinc/36/17/93/696361793.db2.gz SLVOXAJRXGVJNE-GDBMZVCRSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)o1 ZINC000993763596 696361795 /nfs/dbraw/zinc/36/17/95/696361795.db2.gz SLVOXAJRXGVJNE-GDBMZVCRSA-N 2 2 334.464 1.794 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccn(C)n1 ZINC000993926560 696446432 /nfs/dbraw/zinc/44/64/32/696446432.db2.gz JKYKSKTXDNNQKD-QAPCUYQASA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccn(C)n1 ZINC000993926560 696446434 /nfs/dbraw/zinc/44/64/34/696446434.db2.gz JKYKSKTXDNNQKD-QAPCUYQASA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCC(F)(F)F ZINC000994219782 696587982 /nfs/dbraw/zinc/58/79/82/696587982.db2.gz BQCGJGGCYYJPCR-AAEUAGOBSA-N 2 2 332.370 1.884 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCC(F)(F)F ZINC000994219782 696587983 /nfs/dbraw/zinc/58/79/83/696587983.db2.gz BQCGJGGCYYJPCR-AAEUAGOBSA-N 2 2 332.370 1.884 20 0 EDADLP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)c(C)o1 ZINC000994251451 696644607 /nfs/dbraw/zinc/64/46/07/696644607.db2.gz KCTHDQKAZPQVNE-CZUORRHYSA-N 2 2 346.475 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)c(C)o1 ZINC000994251451 696644609 /nfs/dbraw/zinc/64/46/09/696644609.db2.gz KCTHDQKAZPQVNE-CZUORRHYSA-N 2 2 346.475 1.856 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994299161 696735527 /nfs/dbraw/zinc/73/55/27/696735527.db2.gz UCQOOUQFTMJPKF-ZBFHGGJFSA-N 2 2 344.463 1.472 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994299161 696735530 /nfs/dbraw/zinc/73/55/30/696735530.db2.gz UCQOOUQFTMJPKF-ZBFHGGJFSA-N 2 2 344.463 1.472 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994412510 696838496 /nfs/dbraw/zinc/83/84/96/696838496.db2.gz VUBCUSXIIJYNTF-WBVHZDCISA-N 2 2 333.480 1.293 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994412510 696838497 /nfs/dbraw/zinc/83/84/97/696838497.db2.gz VUBCUSXIIJYNTF-WBVHZDCISA-N 2 2 333.480 1.293 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994513083 696958454 /nfs/dbraw/zinc/95/84/54/696958454.db2.gz YWLMXRPLLOHPDT-HOCLYGCPSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994513083 696958457 /nfs/dbraw/zinc/95/84/57/696958457.db2.gz YWLMXRPLLOHPDT-HOCLYGCPSA-N 2 2 330.436 1.094 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000444792703 697155742 /nfs/dbraw/zinc/15/57/42/697155742.db2.gz FHXISFYAIOYBCK-GDBMZVCRSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000444792703 697155743 /nfs/dbraw/zinc/15/57/43/697155743.db2.gz FHXISFYAIOYBCK-GDBMZVCRSA-N 2 2 332.448 1.379 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031577727 697273972 /nfs/dbraw/zinc/27/39/72/697273972.db2.gz OZCHIFYHIGSVMA-YOEHRIQHSA-N 2 2 344.459 1.156 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031577727 697273974 /nfs/dbraw/zinc/27/39/74/697273974.db2.gz OZCHIFYHIGSVMA-YOEHRIQHSA-N 2 2 344.459 1.156 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000920198719 697408986 /nfs/dbraw/zinc/40/89/86/697408986.db2.gz HRVGOPDJWNJAIH-FUHWJXTLSA-N 2 2 345.491 1.200 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000920198719 697408989 /nfs/dbraw/zinc/40/89/89/697408989.db2.gz HRVGOPDJWNJAIH-FUHWJXTLSA-N 2 2 345.491 1.200 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)c(F)c2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031673972 697482188 /nfs/dbraw/zinc/48/21/88/697482188.db2.gz AKLPXYYJOBCVAG-INIZCTEOSA-N 2 2 349.425 1.855 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cnc(C)cn3)C2)CC[N@@H+]1C ZINC001031684666 697511800 /nfs/dbraw/zinc/51/18/00/697511800.db2.gz XRBRFENKARLMGR-DLBZAZTESA-N 2 2 331.464 1.063 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cnc(C)cn3)C2)CC[N@H+]1C ZINC001031684666 697511801 /nfs/dbraw/zinc/51/18/01/697511801.db2.gz XRBRFENKARLMGR-DLBZAZTESA-N 2 2 331.464 1.063 20 0 EDADLP Cc1cc(N2CCC(NC(=O)NC[C@@H]3CC[N@H+]3C)CC2)nc(C)[nH+]1 ZINC000921340034 697561895 /nfs/dbraw/zinc/56/18/95/697561895.db2.gz SWGMXHXUJNBFJC-HNNXBMFYSA-N 2 2 332.452 1.066 20 0 EDADLP Cc1cc(N2CCC(NC(=O)NC[C@@H]3CC[N@@H+]3C)CC2)nc(C)[nH+]1 ZINC000921340034 697561896 /nfs/dbraw/zinc/56/18/96/697561896.db2.gz SWGMXHXUJNBFJC-HNNXBMFYSA-N 2 2 332.452 1.066 20 0 EDADLP Cc1ncoc1C[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001031707171 697699988 /nfs/dbraw/zinc/69/99/88/697699988.db2.gz QNMHDDVBPQUGHI-UHFFFAOYSA-N 2 2 348.472 1.968 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC000938425337 698059611 /nfs/dbraw/zinc/05/96/11/698059611.db2.gz ZESOBCGBWWLTLH-CVEARBPZSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC000938425337 698059616 /nfs/dbraw/zinc/05/96/16/698059616.db2.gz ZESOBCGBWWLTLH-CVEARBPZSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)C3CC[NH+](C(C)C)CC3)C2)o1 ZINC001032094784 698601925 /nfs/dbraw/zinc/60/19/25/698601925.db2.gz NYWNYXJECUCGQW-UHFFFAOYSA-N 2 2 334.464 1.651 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ncccn2)C1 ZINC000995041002 700248453 /nfs/dbraw/zinc/24/84/53/700248453.db2.gz XVUOJWDJIGWVNZ-CABCVRRESA-N 2 2 328.420 1.056 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)s1 ZINC000943756673 698832218 /nfs/dbraw/zinc/83/22/18/698832218.db2.gz UGUFLVQTZLRHQB-BXUZGUMPSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)s1 ZINC000943756673 698832223 /nfs/dbraw/zinc/83/22/23/698832223.db2.gz UGUFLVQTZLRHQB-BXUZGUMPSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCN(C3C[NH+](C(C)C)C3)CC1)C2 ZINC000941465388 701552718 /nfs/dbraw/zinc/55/27/18/701552718.db2.gz PFBMCDNLXSHZAR-HNNXBMFYSA-N 2 2 345.491 1.060 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)ncn1 ZINC001031766187 699055355 /nfs/dbraw/zinc/05/53/55/699055355.db2.gz BXZQLVKNDRKWFJ-MSOLQXFVSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)ncn1 ZINC001031766187 699055356 /nfs/dbraw/zinc/05/53/56/699055356.db2.gz BXZQLVKNDRKWFJ-MSOLQXFVSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995157545 701564830 /nfs/dbraw/zinc/56/48/30/701564830.db2.gz ZINKGUIBNIFETB-GDBMZVCRSA-N 2 2 327.432 1.730 20 0 EDADLP Cc1csc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)n1 ZINC000995157599 701565003 /nfs/dbraw/zinc/56/50/03/701565003.db2.gz ZMWRKPOADPNRDZ-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001031783399 699209984 /nfs/dbraw/zinc/20/99/84/699209984.db2.gz WLXUCQZHJSVZJD-CVEARBPZSA-N 2 2 346.475 1.309 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939134006 699219263 /nfs/dbraw/zinc/21/92/63/699219263.db2.gz VRUZHBBECRVCKE-TZMCWYRMSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939134006 699219266 /nfs/dbraw/zinc/21/92/66/699219266.db2.gz VRUZHBBECRVCKE-TZMCWYRMSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1c(C(=O)NCC2C[NH+](Cc3cncn3C)C2)ccc2c[nH+]cn21 ZINC001031800432 699318186 /nfs/dbraw/zinc/31/81/86/699318186.db2.gz QMGVRZPCCSOEIE-UHFFFAOYSA-N 2 2 338.415 1.238 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939211956 699360145 /nfs/dbraw/zinc/36/01/45/699360145.db2.gz VIWMRHRAZYXDEB-RHSMWYFYSA-N 2 2 342.443 1.906 20 0 EDADLP CC(C)C[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000939234991 699402778 /nfs/dbraw/zinc/40/27/78/699402778.db2.gz HIDVGORRXOXDNE-DLBZAZTESA-N 2 2 337.508 1.724 20 0 EDADLP COc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C)cc1 ZINC000939396670 699546604 /nfs/dbraw/zinc/54/66/04/699546604.db2.gz DATFJRVFPSADJM-RHSMWYFYSA-N 2 2 342.443 1.640 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939410146 699564320 /nfs/dbraw/zinc/56/43/20/699564320.db2.gz YBRNHQRJXMATNB-DYVFJYSZSA-N 2 2 340.427 1.619 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cn1 ZINC000939534116 699672353 /nfs/dbraw/zinc/67/23/53/699672353.db2.gz HSVJYKFIJBOOEN-XJKSGUPXSA-N 2 2 343.431 1.003 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cc1 ZINC000939534385 699675013 /nfs/dbraw/zinc/67/50/13/699675013.db2.gz JSKPNSYEFRVEBP-KBXCAEBGSA-N 2 2 342.443 1.608 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cs1 ZINC000939534496 699675552 /nfs/dbraw/zinc/67/55/52/699675552.db2.gz KSFOKZLBIVOHMP-WBMJQRKESA-N 2 2 332.473 1.969 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)n1 ZINC000939536814 699677907 /nfs/dbraw/zinc/67/79/07/699677907.db2.gz XFNIDTFIFVZKKA-WMLDXEAASA-N 2 2 344.463 1.377 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)s1 ZINC000939624335 699761746 /nfs/dbraw/zinc/76/17/46/699761746.db2.gz WUAJKWMQYDQCEW-MEBBXXQBSA-N 2 2 333.461 1.662 20 0 EDADLP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2cnon2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000994985983 699803837 /nfs/dbraw/zinc/80/38/37/699803837.db2.gz DKIQPJMUUJKGQZ-WCQYABFASA-N 2 2 340.387 1.634 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)c1cccc2[nH+]ccn21 ZINC001031843768 699869037 /nfs/dbraw/zinc/86/90/37/699869037.db2.gz NPDMKUHLLXYBRE-HNNXBMFYSA-N 2 2 342.443 1.813 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000939755048 699906225 /nfs/dbraw/zinc/90/62/25/699906225.db2.gz OSLJECSZPSNEDL-QWRGUYRKSA-N 2 2 343.378 1.040 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)n1 ZINC000939811043 699959151 /nfs/dbraw/zinc/95/91/51/699959151.db2.gz QDOKHUNKVRJMLS-LSDHHAIUSA-N 2 2 349.479 1.445 20 0 EDADLP CCc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)no1 ZINC000940154272 700284023 /nfs/dbraw/zinc/28/40/23/700284023.db2.gz SLUXRZTWHXIBRH-UHFFFAOYSA-N 2 2 349.479 1.587 20 0 EDADLP CC(C)=CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031876002 700395870 /nfs/dbraw/zinc/39/58/70/700395870.db2.gz HRAIMIRLGKTSGK-GOSISDBHSA-N 2 2 335.492 1.502 20 0 EDADLP CC(C)=CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031876002 700395876 /nfs/dbraw/zinc/39/58/76/700395876.db2.gz HRAIMIRLGKTSGK-GOSISDBHSA-N 2 2 335.492 1.502 20 0 EDADLP O=C(NCC1C[NH+](CCC2CC2)C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001031876135 700400424 /nfs/dbraw/zinc/40/04/24/700400424.db2.gz LCSTTXDIUPOUKV-GOSISDBHSA-N 2 2 335.492 1.335 20 0 EDADLP O=C(NCC1C[NH+](CCC2CC2)C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001031876135 700400426 /nfs/dbraw/zinc/40/04/26/700400426.db2.gz LCSTTXDIUPOUKV-GOSISDBHSA-N 2 2 335.492 1.335 20 0 EDADLP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000940321827 700497837 /nfs/dbraw/zinc/49/78/37/700497837.db2.gz LMQSXUVKJKRMSK-CABCVRRESA-N 2 2 346.475 1.837 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940371020 700553653 /nfs/dbraw/zinc/55/36/53/700553653.db2.gz HDTZJAGFLSLSQZ-AWEZNQCLSA-N 2 2 344.463 1.493 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940371020 700553654 /nfs/dbraw/zinc/55/36/54/700553654.db2.gz HDTZJAGFLSLSQZ-AWEZNQCLSA-N 2 2 344.463 1.493 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000940425969 700619223 /nfs/dbraw/zinc/61/92/23/700619223.db2.gz AIASCBIPYGGVCP-INIZCTEOSA-N 2 2 334.464 1.502 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)O1 ZINC000940425983 700619309 /nfs/dbraw/zinc/61/93/09/700619309.db2.gz ARNBPPUSKAIWNG-HOCLYGCPSA-N 2 2 334.464 1.501 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)CCc3c[nH+]cn3C)CC2)O1 ZINC000940445378 700647475 /nfs/dbraw/zinc/64/74/75/700647475.db2.gz PZLBSHCUTXSDOU-RDJZCZTQSA-N 2 2 348.491 1.891 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC000995104082 700909811 /nfs/dbraw/zinc/90/98/11/700909811.db2.gz BHRDWDWZSFLLTL-OCCSQVGLSA-N 2 2 343.431 1.892 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)CC1(C)C ZINC000940831587 700931102 /nfs/dbraw/zinc/93/11/02/700931102.db2.gz OLRXZHWDGKOPHD-XJKSGUPXSA-N 2 2 335.448 1.230 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)CC1(C)C ZINC000940831587 700931104 /nfs/dbraw/zinc/93/11/04/700931104.db2.gz OLRXZHWDGKOPHD-XJKSGUPXSA-N 2 2 335.448 1.230 20 0 EDADLP CC(C)n1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995110029 700979380 /nfs/dbraw/zinc/97/93/80/700979380.db2.gz YFTFBYLXERWEFS-CABCVRRESA-N 2 2 344.463 1.804 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995116428 701052959 /nfs/dbraw/zinc/05/29/59/701052959.db2.gz NIFCRECFKOKXHE-GDBMZVCRSA-N 2 2 327.432 1.730 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1 ZINC000995116412 701053019 /nfs/dbraw/zinc/05/30/19/701053019.db2.gz NCUWZHZQJWJWDN-KBPBESRZSA-N 2 2 345.451 1.199 20 0 EDADLP O=C(NCC1C[NH+](CCCF)C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001031920391 701058206 /nfs/dbraw/zinc/05/82/06/701058206.db2.gz DFNQTGSMCIGLOO-INIZCTEOSA-N 2 2 327.444 1.037 20 0 EDADLP O=C(NCC1C[NH+](CCCF)C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001031920391 701058207 /nfs/dbraw/zinc/05/82/07/701058207.db2.gz DFNQTGSMCIGLOO-INIZCTEOSA-N 2 2 327.444 1.037 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000941022172 701062836 /nfs/dbraw/zinc/06/28/36/701062836.db2.gz LJCUNDWJNYRLGD-DZGCQCFKSA-N 2 2 334.464 1.429 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000941022172 701062837 /nfs/dbraw/zinc/06/28/37/701062837.db2.gz LJCUNDWJNYRLGD-DZGCQCFKSA-N 2 2 334.464 1.429 20 0 EDADLP CC1(C)C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061385 701108493 /nfs/dbraw/zinc/10/84/93/701108493.db2.gz MBZIPNHXDTVSLC-INIZCTEOSA-N 2 2 327.432 1.764 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061385 701108494 /nfs/dbraw/zinc/10/84/94/701108494.db2.gz MBZIPNHXDTVSLC-INIZCTEOSA-N 2 2 327.432 1.764 20 0 EDADLP C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808744 701200737 /nfs/dbraw/zinc/20/07/37/701200737.db2.gz PYHXOACIJOOBOX-SJLPKXTDSA-N 2 2 326.444 1.952 20 0 EDADLP C[C@@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808744 701200740 /nfs/dbraw/zinc/20/07/40/701200740.db2.gz PYHXOACIJOOBOX-SJLPKXTDSA-N 2 2 326.444 1.952 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941164243 701229597 /nfs/dbraw/zinc/22/95/97/701229597.db2.gz SRPWQAZQRJBAHX-LSDHHAIUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH+]2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)o1 ZINC000941164243 701229600 /nfs/dbraw/zinc/22/96/00/701229600.db2.gz SRPWQAZQRJBAHX-LSDHHAIUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941164243 701229603 /nfs/dbraw/zinc/22/96/03/701229603.db2.gz SRPWQAZQRJBAHX-LSDHHAIUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C(C)(C)C2)o1 ZINC000941164243 701229606 /nfs/dbraw/zinc/22/96/06/701229606.db2.gz SRPWQAZQRJBAHX-LSDHHAIUSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC000941216476 701402851 /nfs/dbraw/zinc/40/28/51/701402851.db2.gz DAGYUFUFUWVDOU-ZIAGYGMSSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC000941216476 701402853 /nfs/dbraw/zinc/40/28/53/701402853.db2.gz DAGYUFUFUWVDOU-ZIAGYGMSSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941216476 701402854 /nfs/dbraw/zinc/40/28/54/701402854.db2.gz DAGYUFUFUWVDOU-ZIAGYGMSSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)n1 ZINC000941216476 701402855 /nfs/dbraw/zinc/40/28/55/701402855.db2.gz DAGYUFUFUWVDOU-ZIAGYGMSSA-N 2 2 335.452 1.046 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C/C=C/Cl)CC2(C)C)C1 ZINC000941230726 701404718 /nfs/dbraw/zinc/40/47/18/701404718.db2.gz JTNFIGVSKUQHSL-CJKAQPIMSA-N 2 2 343.899 1.676 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](C/C=C/Cl)CC2(C)C)C1 ZINC000941230726 701404719 /nfs/dbraw/zinc/40/47/19/701404719.db2.gz JTNFIGVSKUQHSL-CJKAQPIMSA-N 2 2 343.899 1.676 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C/C=C/Cl)CC2(C)C)C1 ZINC000941230726 701404720 /nfs/dbraw/zinc/40/47/20/701404720.db2.gz JTNFIGVSKUQHSL-CJKAQPIMSA-N 2 2 343.899 1.676 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C/C=C/Cl)CC2(C)C)C1 ZINC000941230726 701404721 /nfs/dbraw/zinc/40/47/21/701404721.db2.gz JTNFIGVSKUQHSL-CJKAQPIMSA-N 2 2 343.899 1.676 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000941224721 701414525 /nfs/dbraw/zinc/41/45/25/701414525.db2.gz XWRVYRINGWTKCK-OAHLLOKOSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000941224721 701414526 /nfs/dbraw/zinc/41/45/26/701414526.db2.gz XWRVYRINGWTKCK-OAHLLOKOSA-N 2 2 342.447 1.398 20 0 EDADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000043311155 701471776 /nfs/dbraw/zinc/47/17/76/701471776.db2.gz XRTMVUFPICHFGO-UHFFFAOYSA-N 2 2 329.448 1.699 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)[NH+](C)C ZINC000941386330 701510679 /nfs/dbraw/zinc/51/06/79/701510679.db2.gz IIFULDSQNCVZFU-CJNGLKHVSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995151196 701544503 /nfs/dbraw/zinc/54/45/03/701544503.db2.gz HATUUSPHELEXNI-WFASDCNBSA-N 2 2 331.395 1.561 20 0 EDADLP O=C(NCC1C[NH+](Cc2cc(F)ccc2F)C1)C12CC[NH+](CC1)C2 ZINC001032130684 701847018 /nfs/dbraw/zinc/84/70/18/701847018.db2.gz YYVCUYMMCVDHKN-UHFFFAOYSA-N 2 2 335.398 1.609 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C[C@H]1C ZINC000944443035 702025974 /nfs/dbraw/zinc/02/59/74/702025974.db2.gz FMCBAZWUDOIDKR-DOMZBBRYSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C[C@H]1C ZINC000944443035 702025980 /nfs/dbraw/zinc/02/59/80/702025980.db2.gz FMCBAZWUDOIDKR-DOMZBBRYSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C[C@@H]1C ZINC000944444911 702031711 /nfs/dbraw/zinc/03/17/11/702031711.db2.gz MNHBTROHRKAUHL-SWLSCSKDSA-N 2 2 330.436 1.021 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@@H]1C ZINC000944444911 702031716 /nfs/dbraw/zinc/03/17/16/702031716.db2.gz MNHBTROHRKAUHL-SWLSCSKDSA-N 2 2 330.436 1.021 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C(C)(C)C2)CC[N@@H+]1C ZINC000995841133 702121559 /nfs/dbraw/zinc/12/15/59/702121559.db2.gz PLNIQLLPVAKLGB-RRFJBIMHSA-N 2 2 349.479 1.435 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C(C)(C)C2)CC[N@H+]1C ZINC000995841133 702121562 /nfs/dbraw/zinc/12/15/62/702121562.db2.gz PLNIQLLPVAKLGB-RRFJBIMHSA-N 2 2 349.479 1.435 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995878331 702184225 /nfs/dbraw/zinc/18/42/25/702184225.db2.gz FDJCTRVMXSLBRQ-LSDHHAIUSA-N 2 2 349.479 1.579 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)o2)C(C)(C)C1 ZINC000995878331 702184228 /nfs/dbraw/zinc/18/42/28/702184228.db2.gz FDJCTRVMXSLBRQ-LSDHHAIUSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)n1 ZINC000995924757 702251014 /nfs/dbraw/zinc/25/10/14/702251014.db2.gz JTEWQHXORQIMQX-ZFWWWQNUSA-N 2 2 337.468 1.291 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031987050 702411232 /nfs/dbraw/zinc/41/12/32/702411232.db2.gz QSFVDULEXYPOOP-ARFHVFGLSA-N 2 2 332.448 1.141 20 0 EDADLP Cc1oncc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665589 706678090 /nfs/dbraw/zinc/67/80/90/706678090.db2.gz DJYMDSPUOUICJJ-IRXDYDNUSA-N 2 2 332.448 1.500 20 0 EDADLP Cc1oncc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032665589 706678092 /nfs/dbraw/zinc/67/80/92/706678092.db2.gz DJYMDSPUOUICJJ-IRXDYDNUSA-N 2 2 332.448 1.500 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1 ZINC000996080205 702486221 /nfs/dbraw/zinc/48/62/21/702486221.db2.gz CXQIEMHXUPHIAJ-CVEARBPZSA-N 2 2 348.491 1.606 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCF ZINC000996190648 702596268 /nfs/dbraw/zinc/59/62/68/702596268.db2.gz MKLWRSNQPXWSHY-HZPDHXFCSA-N 2 2 341.471 1.426 20 0 EDADLP CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CCF ZINC000996190648 702596272 /nfs/dbraw/zinc/59/62/72/702596272.db2.gz MKLWRSNQPXWSHY-HZPDHXFCSA-N 2 2 341.471 1.426 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)n1 ZINC000996301197 702692977 /nfs/dbraw/zinc/69/29/77/702692977.db2.gz RPUQOZGVKHACPO-TZMCWYRMSA-N 2 2 335.452 1.189 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)C1 ZINC000996311495 702700316 /nfs/dbraw/zinc/70/03/16/702700316.db2.gz SJBPBRVSHZKONB-AWEZNQCLSA-N 2 2 335.452 1.128 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)C1 ZINC000996311495 702700317 /nfs/dbraw/zinc/70/03/17/702700317.db2.gz SJBPBRVSHZKONB-AWEZNQCLSA-N 2 2 335.452 1.128 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996357586 702734596 /nfs/dbraw/zinc/73/45/96/702734596.db2.gz YSZROMMALLALFA-ZDUSSCGKSA-N 2 2 334.449 1.139 20 0 EDADLP CC1CC[NH+](CC(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC1 ZINC000996450655 702795956 /nfs/dbraw/zinc/79/59/56/702795956.db2.gz WZIQIJBBPPGVGI-HNNXBMFYSA-N 2 2 335.452 1.128 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC2(C)C)o1 ZINC000996568771 702880708 /nfs/dbraw/zinc/88/07/08/702880708.db2.gz LQDPMTZWDURHJH-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP COc1nscc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995243013 702920962 /nfs/dbraw/zinc/92/09/62/702920962.db2.gz HWKSJULOOSTTDX-TZMCWYRMSA-N 2 2 349.460 1.423 20 0 EDADLP CCn1ccnc1C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996652471 702942371 /nfs/dbraw/zinc/94/23/71/702942371.db2.gz VZRZPCKJGXDTPS-UHFFFAOYSA-N 2 2 330.436 1.340 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000996669854 702971402 /nfs/dbraw/zinc/97/14/02/702971402.db2.gz IRQMFTUWOISQRP-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nc(C)no2)C(C)(C)C1 ZINC000996669854 702971403 /nfs/dbraw/zinc/97/14/03/702971403.db2.gz IRQMFTUWOISQRP-CABCVRRESA-N 2 2 349.479 1.579 20 0 EDADLP Cn1nccc1CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000996685439 702983048 /nfs/dbraw/zinc/98/30/48/702983048.db2.gz QKDCZUAGESTIFU-HZPDHXFCSA-N 2 2 342.447 1.070 20 0 EDADLP Cn1nccc1CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000996685439 702983051 /nfs/dbraw/zinc/98/30/51/702983051.db2.gz QKDCZUAGESTIFU-HZPDHXFCSA-N 2 2 342.447 1.070 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)c(C)s1 ZINC000996714679 703009445 /nfs/dbraw/zinc/00/94/45/703009445.db2.gz MCGAQQYOYQVGET-OAHLLOKOSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)s1 ZINC000996716331 703014946 /nfs/dbraw/zinc/01/49/46/703014946.db2.gz QJBOWGUMXWARPV-CQSZACIVSA-N 2 2 333.461 1.675 20 0 EDADLP Cn1ncc(C[NH2+]C2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)n1 ZINC000996732817 703029426 /nfs/dbraw/zinc/02/94/26/703029426.db2.gz ZJCSAJBAHUCMDD-UHFFFAOYSA-N 2 2 339.403 1.086 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996760143 703048466 /nfs/dbraw/zinc/04/84/66/703048466.db2.gz SQJWVROSOFVTMN-CYBMUJFWSA-N 2 2 329.404 1.214 20 0 EDADLP CCCN1CC[NH+](C2CCC(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000996808135 703097590 /nfs/dbraw/zinc/09/75/90/703097590.db2.gz FMAOZJPILMVXIT-UHFFFAOYSA-N 2 2 333.480 1.338 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnns2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596600 703110767 /nfs/dbraw/zinc/11/07/67/703110767.db2.gz CPQRXFAODMVAEM-SWLSCSKDSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnns2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596600 703110768 /nfs/dbraw/zinc/11/07/68/703110768.db2.gz CPQRXFAODMVAEM-SWLSCSKDSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596610 703110790 /nfs/dbraw/zinc/11/07/90/703110790.db2.gz CVHJODJMMBGLEJ-PBHICJAKSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596610 703110791 /nfs/dbraw/zinc/11/07/91/703110791.db2.gz CVHJODJMMBGLEJ-PBHICJAKSA-N 2 2 345.491 1.453 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996832797 703115634 /nfs/dbraw/zinc/11/56/34/703115634.db2.gz FKUWWGIFASWUQB-UHFFFAOYSA-N 2 2 347.488 1.633 20 0 EDADLP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032332929 703117936 /nfs/dbraw/zinc/11/79/36/703117936.db2.gz GKZHQLVNVCVNQW-LNLFQRSKSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032332929 703117939 /nfs/dbraw/zinc/11/79/39/703117939.db2.gz GKZHQLVNVCVNQW-LNLFQRSKSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cccc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032332929 703117940 /nfs/dbraw/zinc/11/79/40/703117940.db2.gz GKZHQLVNVCVNQW-LNLFQRSKSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032332929 703117943 /nfs/dbraw/zinc/11/79/43/703117943.db2.gz GKZHQLVNVCVNQW-LNLFQRSKSA-N 2 2 343.471 1.419 20 0 EDADLP CCc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032333375 703120766 /nfs/dbraw/zinc/12/07/66/703120766.db2.gz NYTAJJIQBVOJEH-FHWLQOOXSA-N 2 2 343.471 1.365 20 0 EDADLP CCc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032333375 703120769 /nfs/dbraw/zinc/12/07/69/703120769.db2.gz NYTAJJIQBVOJEH-FHWLQOOXSA-N 2 2 343.471 1.365 20 0 EDADLP CCc1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032333375 703120771 /nfs/dbraw/zinc/12/07/71/703120771.db2.gz NYTAJJIQBVOJEH-FHWLQOOXSA-N 2 2 343.471 1.365 20 0 EDADLP CCc1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032333375 703120773 /nfs/dbraw/zinc/12/07/73/703120773.db2.gz NYTAJJIQBVOJEH-FHWLQOOXSA-N 2 2 343.471 1.365 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996835626 703123429 /nfs/dbraw/zinc/12/34/29/703123429.db2.gz UHVYOXCMWBXVNC-INIZCTEOSA-N 2 2 334.464 1.502 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996853444 703132102 /nfs/dbraw/zinc/13/21/02/703132102.db2.gz DFKURUAIMRYRHP-WCQYABFASA-N 2 2 330.354 1.589 20 0 EDADLP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996858493 703142815 /nfs/dbraw/zinc/14/28/15/703142815.db2.gz JQCZQQXHUGEOMV-UHFFFAOYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000996859570 703143382 /nfs/dbraw/zinc/14/33/82/703143382.db2.gz OPWLBSGLZRWGAV-CQSZACIVSA-N 2 2 331.420 1.911 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)o1 ZINC000996992627 703249241 /nfs/dbraw/zinc/24/92/41/703249241.db2.gz WCGNSOJKMUEVPL-OAHLLOKOSA-N 2 2 343.431 1.907 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)on1 ZINC001032043657 703250864 /nfs/dbraw/zinc/25/08/64/703250864.db2.gz LHEMLQJISWECTL-DOTOQJQBSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)on1 ZINC001032043657 703250866 /nfs/dbraw/zinc/25/08/66/703250866.db2.gz LHEMLQJISWECTL-DOTOQJQBSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1ncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001032410458 703445485 /nfs/dbraw/zinc/44/54/85/703445485.db2.gz DHWDCPHICAVHGA-AOLWHUPESA-N 2 2 334.489 1.577 20 0 EDADLP Cc1ncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001032410458 703445486 /nfs/dbraw/zinc/44/54/86/703445486.db2.gz DHWDCPHICAVHGA-AOLWHUPESA-N 2 2 334.489 1.577 20 0 EDADLP Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)s1 ZINC001032410458 703445488 /nfs/dbraw/zinc/44/54/88/703445488.db2.gz DHWDCPHICAVHGA-AOLWHUPESA-N 2 2 334.489 1.577 20 0 EDADLP Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)s1 ZINC001032410458 703445490 /nfs/dbraw/zinc/44/54/90/703445490.db2.gz DHWDCPHICAVHGA-AOLWHUPESA-N 2 2 334.489 1.577 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC000997179257 703463354 /nfs/dbraw/zinc/46/33/54/703463354.db2.gz HROVJIQPNTZAFF-UHFFFAOYSA-N 2 2 344.419 1.004 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)cn1 ZINC000997178081 703464585 /nfs/dbraw/zinc/46/45/85/703464585.db2.gz BMJVGKSBYVDEIL-AWEZNQCLSA-N 2 2 342.447 1.403 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1)c1c[nH+]c[nH]1 ZINC000997181542 703466308 /nfs/dbraw/zinc/46/63/08/703466308.db2.gz AMDCLGWBHJXASY-AWEZNQCLSA-N 2 2 334.464 1.695 20 0 EDADLP CCOC1CC(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000997179890 703469940 /nfs/dbraw/zinc/46/99/40/703469940.db2.gz LSICMVCTCYZULB-UHFFFAOYSA-N 2 2 334.464 1.358 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC000997179839 703469948 /nfs/dbraw/zinc/46/99/48/703469948.db2.gz KFOHBPUNACUJEU-UHFFFAOYSA-N 2 2 347.850 1.792 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)s1 ZINC000997209436 703509378 /nfs/dbraw/zinc/50/93/78/703509378.db2.gz DZKPBNXRUBVCTK-UHFFFAOYSA-N 2 2 333.461 1.806 20 0 EDADLP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001032444520 703621517 /nfs/dbraw/zinc/62/15/17/703621517.db2.gz BPRFFJZPFBKKKB-OKZBNKHCSA-N 2 2 328.460 1.515 20 0 EDADLP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001032444520 703621519 /nfs/dbraw/zinc/62/15/19/703621519.db2.gz BPRFFJZPFBKKKB-OKZBNKHCSA-N 2 2 328.460 1.515 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000997417775 703669444 /nfs/dbraw/zinc/66/94/44/703669444.db2.gz UGPDLYKJXLMUHO-LBPRGKRZSA-N 2 2 332.408 1.170 20 0 EDADLP Cc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001032473260 703689211 /nfs/dbraw/zinc/68/92/11/703689211.db2.gz HTFCKNDESXIGIY-XGXHKWSGSA-N 2 2 343.471 1.499 20 0 EDADLP Cc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001032473260 703689212 /nfs/dbraw/zinc/68/92/12/703689212.db2.gz HTFCKNDESXIGIY-XGXHKWSGSA-N 2 2 343.471 1.499 20 0 EDADLP Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)c1 ZINC001032473260 703689213 /nfs/dbraw/zinc/68/92/13/703689213.db2.gz HTFCKNDESXIGIY-XGXHKWSGSA-N 2 2 343.471 1.499 20 0 EDADLP Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)c1 ZINC001032473260 703689214 /nfs/dbraw/zinc/68/92/14/703689214.db2.gz HTFCKNDESXIGIY-XGXHKWSGSA-N 2 2 343.471 1.499 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO[C@@H]1CC1(F)F)[NH+](C)C ZINC001032474584 703694728 /nfs/dbraw/zinc/69/47/28/703694728.db2.gz FBXBRINVQPUJHP-IGQOVBAYSA-N 2 2 331.407 1.036 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO[C@@H]1CC1(F)F)[NH+](C)C ZINC001032474584 703694730 /nfs/dbraw/zinc/69/47/30/703694730.db2.gz FBXBRINVQPUJHP-IGQOVBAYSA-N 2 2 331.407 1.036 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1csc(C)n1)[NH+](C)C ZINC001032474617 703695058 /nfs/dbraw/zinc/69/50/58/703695058.db2.gz FRLCOIPYWSIVPY-HRCADAONSA-N 2 2 336.505 1.619 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1csc(C)n1)[NH+](C)C ZINC001032474617 703695059 /nfs/dbraw/zinc/69/50/59/703695059.db2.gz FRLCOIPYWSIVPY-HRCADAONSA-N 2 2 336.505 1.619 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995549598 703932926 /nfs/dbraw/zinc/93/29/26/703932926.db2.gz DOXDKHOGLJMBLK-LSDHHAIUSA-N 2 2 334.464 1.658 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995549598 703932931 /nfs/dbraw/zinc/93/29/31/703932931.db2.gz DOXDKHOGLJMBLK-LSDHHAIUSA-N 2 2 334.464 1.658 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nn1C ZINC001033071478 704097893 /nfs/dbraw/zinc/09/78/93/704097893.db2.gz DMQUMVXKFJHYCS-MSOLQXFVSA-N 2 2 347.507 1.634 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1C ZINC001033071478 704097895 /nfs/dbraw/zinc/09/78/95/704097895.db2.gz DMQUMVXKFJHYCS-MSOLQXFVSA-N 2 2 347.507 1.634 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)nn1C ZINC001033071478 704097896 /nfs/dbraw/zinc/09/78/96/704097896.db2.gz DMQUMVXKFJHYCS-MSOLQXFVSA-N 2 2 347.507 1.634 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)nn1C ZINC001033071478 704097898 /nfs/dbraw/zinc/09/78/98/704097898.db2.gz DMQUMVXKFJHYCS-MSOLQXFVSA-N 2 2 347.507 1.634 20 0 EDADLP CCc1nocc1C[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000997732221 704623741 /nfs/dbraw/zinc/62/37/41/704623741.db2.gz DWJVFFSJZKOHFY-UHFFFAOYSA-N 2 2 345.447 1.921 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H]1CCOC1 ZINC001032550212 704686090 /nfs/dbraw/zinc/68/60/90/704686090.db2.gz IAVINGDXNPIOKL-IKGGRYGDSA-N 2 2 332.448 1.375 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H]1CCOC1 ZINC001032550212 704686092 /nfs/dbraw/zinc/68/60/92/704686092.db2.gz IAVINGDXNPIOKL-IKGGRYGDSA-N 2 2 332.448 1.375 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000997840008 704756185 /nfs/dbraw/zinc/75/61/85/704756185.db2.gz LZDXONKOGNGRKO-HUUCEWRRSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000997840008 704756188 /nfs/dbraw/zinc/75/61/88/704756188.db2.gz LZDXONKOGNGRKO-HUUCEWRRSA-N 2 2 343.431 1.838 20 0 EDADLP C[C@H]1C[N@H+](Cc2coc(C3CC3)n2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942562 704794817 /nfs/dbraw/zinc/79/48/17/704794817.db2.gz BCJMUXQSHJZGRL-WMLDXEAASA-N 2 2 346.475 1.974 20 0 EDADLP C[C@H]1C[N@@H+](Cc2coc(C3CC3)n2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942562 704794818 /nfs/dbraw/zinc/79/48/18/704794818.db2.gz BCJMUXQSHJZGRL-WMLDXEAASA-N 2 2 346.475 1.974 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)oc1C ZINC000944946210 704799357 /nfs/dbraw/zinc/79/93/57/704799357.db2.gz VKEMBDWZMMKZOH-XJKSGUPXSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)oc1C ZINC000944946210 704799358 /nfs/dbraw/zinc/79/93/58/704799358.db2.gz VKEMBDWZMMKZOH-XJKSGUPXSA-N 2 2 334.464 1.714 20 0 EDADLP COc1cc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)on1 ZINC000997952557 705080733 /nfs/dbraw/zinc/08/07/33/705080733.db2.gz ONPDQDQJDCUSRJ-UHFFFAOYSA-N 2 2 347.419 1.298 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998043123 705238488 /nfs/dbraw/zinc/23/84/88/705238488.db2.gz XAACPMQHPJKKGH-BZUAXINKSA-N 2 2 334.464 1.599 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998043123 705238490 /nfs/dbraw/zinc/23/84/90/705238490.db2.gz XAACPMQHPJKKGH-BZUAXINKSA-N 2 2 334.464 1.599 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998043123 705238494 /nfs/dbraw/zinc/23/84/94/705238494.db2.gz XAACPMQHPJKKGH-BZUAXINKSA-N 2 2 334.464 1.599 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000998043123 705238497 /nfs/dbraw/zinc/23/84/97/705238497.db2.gz XAACPMQHPJKKGH-BZUAXINKSA-N 2 2 334.464 1.599 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC000998221046 705545982 /nfs/dbraw/zinc/54/59/82/705545982.db2.gz AHZXQLHXGOMTIO-GFCCVEGCSA-N 2 2 346.435 1.243 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)sn1 ZINC000998223954 705552134 /nfs/dbraw/zinc/55/21/34/705552134.db2.gz UHCSZRYFKQQIJG-UHFFFAOYSA-N 2 2 347.488 1.756 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001032611535 705579011 /nfs/dbraw/zinc/57/90/11/705579011.db2.gz MOFIEAZKGBZRQV-YQQAZPJKSA-N 2 2 334.464 1.663 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)sn1 ZINC000998297869 705701222 /nfs/dbraw/zinc/70/12/22/705701222.db2.gz PBGHAEQRCQTXIB-UHFFFAOYSA-N 2 2 333.461 1.676 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC000998305713 705709752 /nfs/dbraw/zinc/70/97/52/705709752.db2.gz RWIKCVUQKCYBQL-ZYHUDNBSSA-N 2 2 336.333 1.599 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC000998303132 705714185 /nfs/dbraw/zinc/71/41/85/705714185.db2.gz KTSRAKOLPFOSJF-KGLIPLIRSA-N 2 2 344.381 1.742 20 0 EDADLP CC(C)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC000998310616 705716680 /nfs/dbraw/zinc/71/66/80/705716680.db2.gz GZKIVLDZKLCDJX-NEPJUHHUSA-N 2 2 332.370 1.977 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1sc(C)nc1C)[NH+](C)C ZINC001032634435 705892217 /nfs/dbraw/zinc/89/22/17/705892217.db2.gz JUAXBVHXUPZWDS-KKUMJFAQSA-N 2 2 336.505 1.885 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1sc(C)nc1C)[NH+](C)C ZINC001032634435 705892219 /nfs/dbraw/zinc/89/22/19/705892219.db2.gz JUAXBVHXUPZWDS-KKUMJFAQSA-N 2 2 336.505 1.885 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000998733207 706166587 /nfs/dbraw/zinc/16/65/87/706166587.db2.gz TUUVFPCHEIPEGK-KBPBESRZSA-N 2 2 349.479 1.542 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)o2)C1 ZINC000998733207 706166589 /nfs/dbraw/zinc/16/65/89/706166589.db2.gz TUUVFPCHEIPEGK-KBPBESRZSA-N 2 2 349.479 1.542 20 0 EDADLP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000998929711 706357965 /nfs/dbraw/zinc/35/79/65/706357965.db2.gz OCSDTJMSMYVCSF-BHUNQDJPSA-N 2 2 339.443 1.996 20 0 EDADLP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000998929711 706357969 /nfs/dbraw/zinc/35/79/69/706357969.db2.gz OCSDTJMSMYVCSF-BHUNQDJPSA-N 2 2 339.443 1.996 20 0 EDADLP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999005313 706445690 /nfs/dbraw/zinc/44/56/90/706445690.db2.gz PKKMGXKUCZVWMO-WLYUNCDWSA-N 2 2 343.431 1.521 20 0 EDADLP CN(C(=O)c1cc(C[NH+](C)C)on1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999029675 706466888 /nfs/dbraw/zinc/46/68/88/706466888.db2.gz UUOKRLDYUZYORI-UHFFFAOYSA-N 2 2 343.431 1.524 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC000999042931 706483914 /nfs/dbraw/zinc/48/39/14/706483914.db2.gz GWSBMIBFOVIOIR-MRXNPFEDSA-N 2 2 344.463 1.901 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000999110200 706537707 /nfs/dbraw/zinc/53/77/07/706537707.db2.gz GGTRLUCYORDBHC-NFOMZHRRSA-N 2 2 328.416 1.563 20 0 EDADLP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]Cc2ccon2)C1 ZINC000999321207 706821935 /nfs/dbraw/zinc/82/19/35/706821935.db2.gz ZVHYEVQOBYABST-UHFFFAOYSA-N 2 2 332.404 1.722 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000999355378 706844853 /nfs/dbraw/zinc/84/48/53/706844853.db2.gz UVHFQYUGEYXMOW-JKSUJKDBSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000999355378 706844856 /nfs/dbraw/zinc/84/48/56/706844856.db2.gz UVHFQYUGEYXMOW-JKSUJKDBSA-N 2 2 349.479 1.722 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000999373011 706867483 /nfs/dbraw/zinc/86/74/83/706867483.db2.gz PYJFDAAKOSYFEQ-UONOGXRCSA-N 2 2 345.472 1.998 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000999400216 706895293 /nfs/dbraw/zinc/89/52/93/706895293.db2.gz JVXKCAGXUSUBJB-GJZGRUSLSA-N 2 2 349.479 1.587 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000999400216 706895295 /nfs/dbraw/zinc/89/52/95/706895295.db2.gz JVXKCAGXUSUBJB-GJZGRUSLSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)o1 ZINC000999385949 706898717 /nfs/dbraw/zinc/89/87/17/706898717.db2.gz RGAOOGNVIAYDKQ-PIMMBPRGSA-N 2 2 343.431 1.905 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999385931 706898816 /nfs/dbraw/zinc/89/88/16/706898816.db2.gz QRJCIPJCKCGUKG-NRXISQOPSA-N 2 2 342.447 1.342 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999406677 706915970 /nfs/dbraw/zinc/91/59/70/706915970.db2.gz CQIYMDFGEGWQJA-BZUAXINKSA-N 2 2 325.416 1.689 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999406677 706915974 /nfs/dbraw/zinc/91/59/74/706915974.db2.gz CQIYMDFGEGWQJA-BZUAXINKSA-N 2 2 325.416 1.689 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)cn1 ZINC000999413172 706922586 /nfs/dbraw/zinc/92/25/86/706922586.db2.gz RGLCJCZJNZFFNI-BZUAXINKSA-N 2 2 340.431 1.392 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000999535725 707036494 /nfs/dbraw/zinc/03/64/94/707036494.db2.gz LMNAEYVEJMEJOH-KGLIPLIRSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999536281 707036987 /nfs/dbraw/zinc/03/69/87/707036987.db2.gz NFJHYGRTXXGBQY-GOEBONIOSA-N 2 2 343.431 1.523 20 0 EDADLP COc1cc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)sn1 ZINC000999606529 707119557 /nfs/dbraw/zinc/11/95/57/707119557.db2.gz VTTILBKFSOJFDV-UHFFFAOYSA-N 2 2 335.433 1.197 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000999689180 707244381 /nfs/dbraw/zinc/24/43/81/707244381.db2.gz PENMMNISBAFVCX-UHFFFAOYSA-N 2 2 347.488 1.815 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2c(C)nsc2C)C1 ZINC001033266041 707291462 /nfs/dbraw/zinc/29/14/62/707291462.db2.gz MOBKRBSZFLQCPC-OAHLLOKOSA-N 2 2 347.488 1.998 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2c(C)nsc2C)C1 ZINC001033266041 707291465 /nfs/dbraw/zinc/29/14/65/707291465.db2.gz MOBKRBSZFLQCPC-OAHLLOKOSA-N 2 2 347.488 1.998 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000999748400 707349224 /nfs/dbraw/zinc/34/92/24/707349224.db2.gz XXIHVJGRPTZMRV-UHFFFAOYSA-N 2 2 345.447 1.899 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033199568 707450026 /nfs/dbraw/zinc/45/00/26/707450026.db2.gz VOOGZNUQCJDOIZ-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033199568 707450031 /nfs/dbraw/zinc/45/00/31/707450031.db2.gz VOOGZNUQCJDOIZ-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033199568 707450033 /nfs/dbraw/zinc/45/00/33/707450033.db2.gz VOOGZNUQCJDOIZ-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033199568 707450037 /nfs/dbraw/zinc/45/00/37/707450037.db2.gz VOOGZNUQCJDOIZ-SJORKVTESA-N 2 2 334.439 1.738 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199815 707453558 /nfs/dbraw/zinc/45/35/58/707453558.db2.gz YUOLECTVXAKNHO-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199815 707453561 /nfs/dbraw/zinc/45/35/61/707453561.db2.gz YUOLECTVXAKNHO-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033199815 707453562 /nfs/dbraw/zinc/45/35/62/707453562.db2.gz YUOLECTVXAKNHO-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033199815 707453565 /nfs/dbraw/zinc/45/35/65/707453565.db2.gz YUOLECTVXAKNHO-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)nn1C ZINC000999835306 707469239 /nfs/dbraw/zinc/46/92/39/707469239.db2.gz HXWNUBUKSOJYBP-OAHLLOKOSA-N 2 2 330.436 1.096 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000999911975 707554270 /nfs/dbraw/zinc/55/42/70/707554270.db2.gz HBRMHIPVYMCLSH-UHFFFAOYSA-N 2 2 333.823 1.711 20 0 EDADLP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000999915287 707557765 /nfs/dbraw/zinc/55/77/65/707557765.db2.gz IZTPTFLFXZDXMA-UHFFFAOYSA-N 2 2 329.404 1.066 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000999916903 707559144 /nfs/dbraw/zinc/55/91/44/707559144.db2.gz PXPVHHUATQZXQC-UHFFFAOYSA-N 2 2 334.370 1.941 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001004894277 707576588 /nfs/dbraw/zinc/57/65/88/707576588.db2.gz GBJKZVTWVNYHFR-ZFWWWQNUSA-N 2 2 346.435 1.442 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033213044 707706992 /nfs/dbraw/zinc/70/69/92/707706992.db2.gz XMVYGVMCDKIUDS-HOTGVXAUSA-N 2 2 346.475 1.547 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001033213044 707706994 /nfs/dbraw/zinc/70/69/94/707706994.db2.gz XMVYGVMCDKIUDS-HOTGVXAUSA-N 2 2 346.475 1.547 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)C1CCCCC1 ZINC001032733044 707739838 /nfs/dbraw/zinc/73/98/38/707739838.db2.gz HMVCWJWFWGUROT-BZSNNMDCSA-N 2 2 346.475 1.189 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)C1CCCCC1 ZINC001032733044 707739844 /nfs/dbraw/zinc/73/98/44/707739844.db2.gz HMVCWJWFWGUROT-BZSNNMDCSA-N 2 2 346.475 1.189 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)nn1C ZINC001004959912 707774854 /nfs/dbraw/zinc/77/48/54/707774854.db2.gz ZJGXTFPKSXFUOR-WMLDXEAASA-N 2 2 344.463 1.554 20 0 EDADLP C[C@H]([NH2+]Cc1ccccn1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004977356 707812622 /nfs/dbraw/zinc/81/26/22/707812622.db2.gz QBRQVLPBOIPDML-YJBOKZPZSA-N 2 2 341.459 1.917 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033425992 707846066 /nfs/dbraw/zinc/84/60/66/707846066.db2.gz MMQKPOGHISSDHS-OAHLLOKOSA-N 2 2 348.495 1.063 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001033425992 707846069 /nfs/dbraw/zinc/84/60/69/707846069.db2.gz MMQKPOGHISSDHS-OAHLLOKOSA-N 2 2 348.495 1.063 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033425992 707846074 /nfs/dbraw/zinc/84/60/74/707846074.db2.gz MMQKPOGHISSDHS-OAHLLOKOSA-N 2 2 348.495 1.063 20 0 EDADLP CCn1nncc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001033425992 707846079 /nfs/dbraw/zinc/84/60/79/707846079.db2.gz MMQKPOGHISSDHS-OAHLLOKOSA-N 2 2 348.495 1.063 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cnsn1 ZINC001004991270 707855750 /nfs/dbraw/zinc/85/57/50/707855750.db2.gz KPYLOWBRIKIGKC-SWLSCSKDSA-N 2 2 348.476 1.602 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1)c1ccccc1 ZINC001033453784 707898310 /nfs/dbraw/zinc/89/83/10/707898310.db2.gz ZUNUIQROTSLGCJ-ROUUACIJSA-N 2 2 342.443 1.873 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1)c1ccccc1 ZINC001033453784 707898314 /nfs/dbraw/zinc/89/83/14/707898314.db2.gz ZUNUIQROTSLGCJ-ROUUACIJSA-N 2 2 342.443 1.873 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033455523 707935852 /nfs/dbraw/zinc/93/58/52/707935852.db2.gz JUIVNUQIZVDTEX-CQSZACIVSA-N 2 2 331.420 1.544 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033455523 707935856 /nfs/dbraw/zinc/93/58/56/707935856.db2.gz JUIVNUQIZVDTEX-CQSZACIVSA-N 2 2 331.420 1.544 20 0 EDADLP CCn1nncc1C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033474375 707963265 /nfs/dbraw/zinc/96/32/65/707963265.db2.gz GLAWFGTUZOIYCW-MRXNPFEDSA-N 2 2 348.495 1.063 20 0 EDADLP CCn1nncc1C[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033474375 707963267 /nfs/dbraw/zinc/96/32/67/707963267.db2.gz GLAWFGTUZOIYCW-MRXNPFEDSA-N 2 2 348.495 1.063 20 0 EDADLP c1nn(C2CCC2)cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000921748631 707968798 /nfs/dbraw/zinc/96/87/98/707968798.db2.gz YZBWKIGIVAFKGO-KRWDZBQOSA-N 2 2 333.480 1.104 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781884 707971374 /nfs/dbraw/zinc/97/13/74/707971374.db2.gz LUXDEZPAZRBZGK-ILXRZTDVSA-N 2 2 332.448 1.282 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001032781884 707971377 /nfs/dbraw/zinc/97/13/77/707971377.db2.gz LUXDEZPAZRBZGK-ILXRZTDVSA-N 2 2 332.448 1.282 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032781884 707971380 /nfs/dbraw/zinc/97/13/80/707971380.db2.gz LUXDEZPAZRBZGK-ILXRZTDVSA-N 2 2 332.448 1.282 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032781884 707971382 /nfs/dbraw/zinc/97/13/82/707971382.db2.gz LUXDEZPAZRBZGK-ILXRZTDVSA-N 2 2 332.448 1.282 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cncc(C)c1 ZINC001032783158 707973622 /nfs/dbraw/zinc/97/36/22/707973622.db2.gz UMIKWCPWAGMUES-IRXDYDNUSA-N 2 2 325.416 1.380 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cncc(C)c1 ZINC001032783158 707973627 /nfs/dbraw/zinc/97/36/27/707973627.db2.gz UMIKWCPWAGMUES-IRXDYDNUSA-N 2 2 325.416 1.380 20 0 EDADLP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001032815047 708152431 /nfs/dbraw/zinc/15/24/31/708152431.db2.gz XDFYINONKZPYLN-BZSNNMDCSA-N 2 2 340.427 1.556 20 0 EDADLP CO[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001032815047 708152432 /nfs/dbraw/zinc/15/24/32/708152432.db2.gz XDFYINONKZPYLN-BZSNNMDCSA-N 2 2 340.427 1.556 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001033587637 708279795 /nfs/dbraw/zinc/27/97/95/708279795.db2.gz HRQMZKHNYHCETP-INIZCTEOSA-N 2 2 330.407 1.835 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001033587637 708279797 /nfs/dbraw/zinc/27/97/97/708279797.db2.gz HRQMZKHNYHCETP-INIZCTEOSA-N 2 2 330.407 1.835 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033589241 708284379 /nfs/dbraw/zinc/28/43/79/708284379.db2.gz MQWQKWIZRQOOLF-HNNXBMFYSA-N 2 2 344.463 1.196 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001033589241 708284380 /nfs/dbraw/zinc/28/43/80/708284380.db2.gz MQWQKWIZRQOOLF-HNNXBMFYSA-N 2 2 344.463 1.196 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)cs1 ZINC001033590396 708286836 /nfs/dbraw/zinc/28/68/36/708286836.db2.gz PPMYEJISGSOEOM-OAHLLOKOSA-N 2 2 347.488 1.503 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]cn3C)C2)cs1 ZINC001033590396 708286838 /nfs/dbraw/zinc/28/68/38/708286838.db2.gz PPMYEJISGSOEOM-OAHLLOKOSA-N 2 2 347.488 1.503 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)c(C)s1 ZINC001033594974 708297450 /nfs/dbraw/zinc/29/74/50/708297450.db2.gz SYYQZDIRCVOITK-HNNXBMFYSA-N 2 2 348.516 1.888 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)c(C)s1 ZINC001033594974 708297452 /nfs/dbraw/zinc/29/74/52/708297452.db2.gz SYYQZDIRCVOITK-HNNXBMFYSA-N 2 2 348.516 1.888 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033617588 708345955 /nfs/dbraw/zinc/34/59/55/708345955.db2.gz WEZOOESQWNIZOL-ZDUSSCGKSA-N 2 2 326.391 1.839 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033617588 708345958 /nfs/dbraw/zinc/34/59/58/708345958.db2.gz WEZOOESQWNIZOL-ZDUSSCGKSA-N 2 2 326.391 1.839 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001033621145 708353858 /nfs/dbraw/zinc/35/38/58/708353858.db2.gz ULFJVERBINAFAU-OAHLLOKOSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001033621145 708353859 /nfs/dbraw/zinc/35/38/59/708353859.db2.gz ULFJVERBINAFAU-OAHLLOKOSA-N 2 2 327.432 1.697 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033621464 708355118 /nfs/dbraw/zinc/35/51/18/708355118.db2.gz WILCBKHCEPOWHT-OAHLLOKOSA-N 2 2 330.436 1.035 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033621464 708355123 /nfs/dbraw/zinc/35/51/23/708355123.db2.gz WILCBKHCEPOWHT-OAHLLOKOSA-N 2 2 330.436 1.035 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnccc3C)C2)C1 ZINC001033679722 708489853 /nfs/dbraw/zinc/48/98/53/708489853.db2.gz LIZFYGUWYYZCOT-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cnccc3C)C2)C1 ZINC001033679722 708489855 /nfs/dbraw/zinc/48/98/55/708489855.db2.gz LIZFYGUWYYZCOT-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnccc3C)C2)C1 ZINC001033679722 708489858 /nfs/dbraw/zinc/48/98/58/708489858.db2.gz LIZFYGUWYYZCOT-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnccc3C)C2)C1 ZINC001033679722 708489861 /nfs/dbraw/zinc/48/98/61/708489861.db2.gz LIZFYGUWYYZCOT-MSOLQXFVSA-N 2 2 346.475 1.143 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1C ZINC001033703799 708532867 /nfs/dbraw/zinc/53/28/67/708532867.db2.gz INDKPIAFHRZWLN-QGZVFWFLSA-N 2 2 342.443 1.933 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1C ZINC001033703799 708532868 /nfs/dbraw/zinc/53/28/68/708532868.db2.gz INDKPIAFHRZWLN-QGZVFWFLSA-N 2 2 342.443 1.933 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1F ZINC001033707946 708540124 /nfs/dbraw/zinc/54/01/24/708540124.db2.gz VIVDDCNOCDDYJS-HNNXBMFYSA-N 2 2 346.406 1.764 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)cc1F ZINC001033707946 708540127 /nfs/dbraw/zinc/54/01/27/708540127.db2.gz VIVDDCNOCDDYJS-HNNXBMFYSA-N 2 2 346.406 1.764 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001033781751 708688710 /nfs/dbraw/zinc/68/87/10/708688710.db2.gz WTRFGMQGRJEPIE-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001033781751 708688713 /nfs/dbraw/zinc/68/87/13/708688713.db2.gz WTRFGMQGRJEPIE-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001033781751 708688716 /nfs/dbraw/zinc/68/87/16/708688716.db2.gz WTRFGMQGRJEPIE-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2cccc(C)c2)C1 ZINC001033781751 708688719 /nfs/dbraw/zinc/68/87/19/708688719.db2.gz WTRFGMQGRJEPIE-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033777343 708705001 /nfs/dbraw/zinc/70/50/01/708705001.db2.gz VEAUFHBHWXYVPA-NVXWUHKLSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033777343 708705003 /nfs/dbraw/zinc/70/50/03/708705003.db2.gz VEAUFHBHWXYVPA-NVXWUHKLSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001033777343 708705004 /nfs/dbraw/zinc/70/50/04/708705004.db2.gz VEAUFHBHWXYVPA-NVXWUHKLSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001033777343 708705007 /nfs/dbraw/zinc/70/50/07/708705007.db2.gz VEAUFHBHWXYVPA-NVXWUHKLSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001033833355 708858665 /nfs/dbraw/zinc/85/86/65/708858665.db2.gz GAUCBBYRTNNUPM-IXDOHACOSA-N 2 2 345.491 1.548 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001033833355 708858669 /nfs/dbraw/zinc/85/86/69/708858669.db2.gz GAUCBBYRTNNUPM-IXDOHACOSA-N 2 2 345.491 1.548 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2nccc(C)n2)C1 ZINC001033833355 708858673 /nfs/dbraw/zinc/85/86/73/708858673.db2.gz GAUCBBYRTNNUPM-IXDOHACOSA-N 2 2 345.491 1.548 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2nccc(C)n2)C1 ZINC001033833355 708858677 /nfs/dbraw/zinc/85/86/77/708858677.db2.gz GAUCBBYRTNNUPM-IXDOHACOSA-N 2 2 345.491 1.548 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002478357 709027306 /nfs/dbraw/zinc/02/73/06/709027306.db2.gz BLSZGLNTYCEDTF-INIZCTEOSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001002478357 709027310 /nfs/dbraw/zinc/02/73/10/709027310.db2.gz BLSZGLNTYCEDTF-INIZCTEOSA-N 2 2 334.464 1.973 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001033938423 709143087 /nfs/dbraw/zinc/14/30/87/709143087.db2.gz WSYIIGYSQZIDIY-ZOBUZTSGSA-N 2 2 334.464 1.828 20 0 EDADLP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001033938423 709143088 /nfs/dbraw/zinc/14/30/88/709143088.db2.gz WSYIIGYSQZIDIY-ZOBUZTSGSA-N 2 2 334.464 1.828 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001033938423 709143089 /nfs/dbraw/zinc/14/30/89/709143089.db2.gz WSYIIGYSQZIDIY-ZOBUZTSGSA-N 2 2 334.464 1.828 20 0 EDADLP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001033938423 709143090 /nfs/dbraw/zinc/14/30/90/709143090.db2.gz WSYIIGYSQZIDIY-ZOBUZTSGSA-N 2 2 334.464 1.828 20 0 EDADLP COc1cncc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702553337 709653119 /nfs/dbraw/zinc/65/31/19/709653119.db2.gz LHTCIAKYGFSFOA-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP COc1cncc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000702553337 709653122 /nfs/dbraw/zinc/65/31/22/709653122.db2.gz LHTCIAKYGFSFOA-IBGZPJMESA-N 2 2 327.428 1.817 20 0 EDADLP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)o1 ZINC001003015216 709801015 /nfs/dbraw/zinc/80/10/15/709801015.db2.gz BVWWYKXIWKODEB-INIZCTEOSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1nonc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034362505 709878429 /nfs/dbraw/zinc/87/84/29/709878429.db2.gz GPXSVYVXGUHGKM-CWRNSKLLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034362505 709878431 /nfs/dbraw/zinc/87/84/31/709878431.db2.gz GPXSVYVXGUHGKM-CWRNSKLLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034362505 709878434 /nfs/dbraw/zinc/87/84/34/709878434.db2.gz GPXSVYVXGUHGKM-CWRNSKLLSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034362505 709878438 /nfs/dbraw/zinc/87/84/38/709878438.db2.gz GPXSVYVXGUHGKM-CWRNSKLLSA-N 2 2 349.479 1.579 20 0 EDADLP CCn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400997 709945283 /nfs/dbraw/zinc/94/52/83/709945283.db2.gz ZFCPAWHHTWPDKV-HZPDHXFCSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001034400997 709945286 /nfs/dbraw/zinc/94/52/86/709945286.db2.gz ZFCPAWHHTWPDKV-HZPDHXFCSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001034400997 709945289 /nfs/dbraw/zinc/94/52/89/709945289.db2.gz ZFCPAWHHTWPDKV-HZPDHXFCSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034400997 709945294 /nfs/dbraw/zinc/94/52/94/709945294.db2.gz ZFCPAWHHTWPDKV-HZPDHXFCSA-N 2 2 348.495 1.253 20 0 EDADLP COc1cc[nH+]cc1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003136987 710030263 /nfs/dbraw/zinc/03/02/63/710030263.db2.gz HEFRVODNLVKCKK-AWEZNQCLSA-N 2 2 333.432 1.250 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034490100 710108516 /nfs/dbraw/zinc/10/85/16/710108516.db2.gz JCWTVISGQNGHJK-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034490100 710108519 /nfs/dbraw/zinc/10/85/19/710108519.db2.gz JCWTVISGQNGHJK-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034490100 710108522 /nfs/dbraw/zinc/10/85/22/710108522.db2.gz JCWTVISGQNGHJK-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034490100 710108524 /nfs/dbraw/zinc/10/85/24/710108524.db2.gz JCWTVISGQNGHJK-IRXDYDNUSA-N 2 2 347.507 1.716 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001034483148 710126864 /nfs/dbraw/zinc/12/68/64/710126864.db2.gz ARDIXBJPOIXNSN-HNNXBMFYSA-N 2 2 345.447 1.738 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCCC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001034483148 710126866 /nfs/dbraw/zinc/12/68/66/710126866.db2.gz ARDIXBJPOIXNSN-HNNXBMFYSA-N 2 2 345.447 1.738 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034484477 710129176 /nfs/dbraw/zinc/12/91/76/710129176.db2.gz LRISEUHVEAYYOA-HNNXBMFYSA-N 2 2 345.447 1.738 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034484477 710129177 /nfs/dbraw/zinc/12/91/77/710129177.db2.gz LRISEUHVEAYYOA-HNNXBMFYSA-N 2 2 345.447 1.738 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccccn2)C1 ZINC001034501962 710142531 /nfs/dbraw/zinc/14/25/31/710142531.db2.gz BUNTXZQHGMWOBU-MRXNPFEDSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccccn2)C1 ZINC001034501962 710142535 /nfs/dbraw/zinc/14/25/35/710142535.db2.gz BUNTXZQHGMWOBU-MRXNPFEDSA-N 2 2 327.432 1.827 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034524462 710173376 /nfs/dbraw/zinc/17/33/76/710173376.db2.gz GCOVLYQTLLHGIN-CVEARBPZSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034524462 710173381 /nfs/dbraw/zinc/17/33/81/710173381.db2.gz GCOVLYQTLLHGIN-CVEARBPZSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034524462 710173383 /nfs/dbraw/zinc/17/33/83/710173383.db2.gz GCOVLYQTLLHGIN-CVEARBPZSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034524462 710173385 /nfs/dbraw/zinc/17/33/85/710173385.db2.gz GCOVLYQTLLHGIN-CVEARBPZSA-N 2 2 333.480 1.325 20 0 EDADLP CCc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034524770 710173976 /nfs/dbraw/zinc/17/39/76/710173976.db2.gz HSGZHLIZTZSZKW-HUUCEWRRSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034524770 710173977 /nfs/dbraw/zinc/17/39/77/710173977.db2.gz HSGZHLIZTZSZKW-HUUCEWRRSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001034524770 710173978 /nfs/dbraw/zinc/17/39/78/710173978.db2.gz HSGZHLIZTZSZKW-HUUCEWRRSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034524770 710173979 /nfs/dbraw/zinc/17/39/79/710173979.db2.gz HSGZHLIZTZSZKW-HUUCEWRRSA-N 2 2 334.464 1.659 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034526505 710178153 /nfs/dbraw/zinc/17/81/53/710178153.db2.gz YZIXKTCFRJYERB-IAGOWNOFSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034526505 710178155 /nfs/dbraw/zinc/17/81/55/710178155.db2.gz YZIXKTCFRJYERB-IAGOWNOFSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034526505 710178158 /nfs/dbraw/zinc/17/81/58/710178158.db2.gz YZIXKTCFRJYERB-IAGOWNOFSA-N 2 2 347.507 1.886 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034526505 710178160 /nfs/dbraw/zinc/17/81/60/710178160.db2.gz YZIXKTCFRJYERB-IAGOWNOFSA-N 2 2 347.507 1.886 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034529830 710185426 /nfs/dbraw/zinc/18/54/26/710185426.db2.gz PJRUWOIKLSWXBW-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001034529830 710185428 /nfs/dbraw/zinc/18/54/28/710185428.db2.gz PJRUWOIKLSWXBW-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](C/C=C/Cl)C2)C1 ZINC001034534537 710205617 /nfs/dbraw/zinc/20/56/17/710205617.db2.gz MCDKKZDHPIPUPX-CJKAQPIMSA-N 2 2 329.872 1.430 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCCC[NH+](C/C=C/Cl)C2)C1 ZINC001034534537 710205619 /nfs/dbraw/zinc/20/56/19/710205619.db2.gz MCDKKZDHPIPUPX-CJKAQPIMSA-N 2 2 329.872 1.430 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](C/C=C/Cl)C2)C1 ZINC001034534537 710205621 /nfs/dbraw/zinc/20/56/21/710205621.db2.gz MCDKKZDHPIPUPX-CJKAQPIMSA-N 2 2 329.872 1.430 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CCCC[N@@H+](C/C=C/Cl)C2)C1 ZINC001034534537 710205622 /nfs/dbraw/zinc/20/56/22/710205622.db2.gz MCDKKZDHPIPUPX-CJKAQPIMSA-N 2 2 329.872 1.430 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001034546252 710219729 /nfs/dbraw/zinc/21/97/29/710219729.db2.gz BWKIUARPYGEPRW-DLBZAZTESA-N 2 2 334.464 1.813 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001034546252 710219730 /nfs/dbraw/zinc/21/97/30/710219730.db2.gz BWKIUARPYGEPRW-DLBZAZTESA-N 2 2 334.464 1.813 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC001003495826 710381115 /nfs/dbraw/zinc/38/11/15/710381115.db2.gz PAVGXUMEBIXDMY-GJZGRUSLSA-N 2 2 333.480 1.231 20 0 EDADLP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC001003495826 710381117 /nfs/dbraw/zinc/38/11/17/710381117.db2.gz PAVGXUMEBIXDMY-GJZGRUSLSA-N 2 2 333.480 1.231 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001003548013 710414013 /nfs/dbraw/zinc/41/40/13/710414013.db2.gz QDRFSHQHALLVIE-LBPRGKRZSA-N 2 2 335.452 1.361 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001003628403 710458306 /nfs/dbraw/zinc/45/83/06/710458306.db2.gz OWMDUVCSKUOEKK-CQSZACIVSA-N 2 2 348.495 1.171 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001003628403 710458307 /nfs/dbraw/zinc/45/83/07/710458307.db2.gz OWMDUVCSKUOEKK-CQSZACIVSA-N 2 2 348.495 1.171 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001003631216 710460275 /nfs/dbraw/zinc/46/02/75/710460275.db2.gz ULFMBHMGWDMNHL-QWHCGFSZSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001003631216 710460277 /nfs/dbraw/zinc/46/02/77/710460277.db2.gz ULFMBHMGWDMNHL-QWHCGFSZSA-N 2 2 335.452 1.361 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003651941 710469515 /nfs/dbraw/zinc/46/95/15/710469515.db2.gz KINLUDZNCNYGIN-NUEKZKHPSA-N 2 2 332.448 1.141 20 0 EDADLP CCn1cc(C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)nn1 ZINC001003740459 710520396 /nfs/dbraw/zinc/52/03/96/710520396.db2.gz KMNZQTPBFJYOIZ-UHFFFAOYSA-N 2 2 348.495 1.111 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)n1 ZINC001003775908 710544913 /nfs/dbraw/zinc/54/49/13/710544913.db2.gz CKSFWAXMHPOXOS-QZTJIDSGSA-N 2 2 345.491 1.518 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)n1 ZINC001003775908 710544915 /nfs/dbraw/zinc/54/49/15/710544915.db2.gz CKSFWAXMHPOXOS-QZTJIDSGSA-N 2 2 345.491 1.518 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001034675631 710631461 /nfs/dbraw/zinc/63/14/61/710631461.db2.gz UOZNGZHUWPFHQP-KKUMJFAQSA-N 2 2 343.431 1.651 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1)C(N)=O ZINC001034730958 710928560 /nfs/dbraw/zinc/92/85/60/710928560.db2.gz FIMVEDZAPYDLBX-AAVRWANBSA-N 2 2 347.463 1.111 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1)c1cnccn1 ZINC001034744180 710954398 /nfs/dbraw/zinc/95/43/98/710954398.db2.gz NLEYCBSARYONNO-MGPQQGTHSA-N 2 2 328.420 1.520 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001032977023 711091975 /nfs/dbraw/zinc/09/19/75/711091975.db2.gz QVWJCQBFGQOQFV-DLBZAZTESA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001032977023 711091977 /nfs/dbraw/zinc/09/19/77/711091977.db2.gz QVWJCQBFGQOQFV-DLBZAZTESA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccc(F)cc2)C1 ZINC001032977023 711091980 /nfs/dbraw/zinc/09/19/80/711091980.db2.gz QVWJCQBFGQOQFV-DLBZAZTESA-N 2 2 335.423 1.189 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccc(F)cc2)C1 ZINC001032977023 711091982 /nfs/dbraw/zinc/09/19/82/711091982.db2.gz QVWJCQBFGQOQFV-DLBZAZTESA-N 2 2 335.423 1.189 20 0 EDADLP Cc1cccnc1C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003972289 711126141 /nfs/dbraw/zinc/12/61/41/711126141.db2.gz WROUAWOLMIQZFC-UHFFFAOYSA-N 2 2 327.432 1.447 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)s1 ZINC001034800994 711140285 /nfs/dbraw/zinc/14/02/85/711140285.db2.gz CFCXHGKOQXMIPT-MRVWCRGKSA-N 2 2 348.476 1.821 20 0 EDADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001034890766 711346703 /nfs/dbraw/zinc/34/67/03/711346703.db2.gz HVGUYOUKKZOWHF-MJGOQNOKSA-N 2 2 345.487 1.715 20 0 EDADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001034890766 711346704 /nfs/dbraw/zinc/34/67/04/711346704.db2.gz HVGUYOUKKZOWHF-MJGOQNOKSA-N 2 2 345.487 1.715 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001034956913 711427374 /nfs/dbraw/zinc/42/73/74/711427374.db2.gz GDPJFEQOKOXETP-ZIAGYGMSSA-N 2 2 348.495 1.493 20 0 EDADLP CC(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001034957964 711430462 /nfs/dbraw/zinc/43/04/62/711430462.db2.gz RFKIZWVHEMDFJH-OAHLLOKOSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)n1 ZINC001034957964 711430463 /nfs/dbraw/zinc/43/04/63/711430463.db2.gz RFKIZWVHEMDFJH-OAHLLOKOSA-N 2 2 349.479 1.758 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033126390 711889716 /nfs/dbraw/zinc/88/97/16/711889716.db2.gz MNLWTNPWILFLMJ-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033126390 711889718 /nfs/dbraw/zinc/88/97/18/711889718.db2.gz MNLWTNPWILFLMJ-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033126390 711889719 /nfs/dbraw/zinc/88/97/19/711889719.db2.gz MNLWTNPWILFLMJ-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033126390 711889720 /nfs/dbraw/zinc/88/97/20/711889720.db2.gz MNLWTNPWILFLMJ-WBVHZDCISA-N 2 2 334.464 1.890 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004543427 711954225 /nfs/dbraw/zinc/95/42/25/711954225.db2.gz PGYSLLPJRRYNQQ-NVXWUHKLSA-N 2 2 346.475 1.525 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004543427 711954226 /nfs/dbraw/zinc/95/42/26/711954226.db2.gz PGYSLLPJRRYNQQ-NVXWUHKLSA-N 2 2 346.475 1.525 20 0 EDADLP C[C@@H](CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1)n1cc[nH+]c1 ZINC001004567649 711987518 /nfs/dbraw/zinc/98/75/18/711987518.db2.gz JZQUMXADCWNKQO-DOTOQJQBSA-N 2 2 334.464 1.530 20 0 EDADLP C[C@@H](CC(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1)n1cc[nH+]c1 ZINC001004567649 711987520 /nfs/dbraw/zinc/98/75/20/711987520.db2.gz JZQUMXADCWNKQO-DOTOQJQBSA-N 2 2 334.464 1.530 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004576798 712004345 /nfs/dbraw/zinc/00/43/45/712004345.db2.gz FSFJUDHZFXBDPN-MAUKXSAKSA-N 2 2 348.491 1.674 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004576798 712004347 /nfs/dbraw/zinc/00/43/47/712004347.db2.gz FSFJUDHZFXBDPN-MAUKXSAKSA-N 2 2 348.491 1.674 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004576798 712004350 /nfs/dbraw/zinc/00/43/50/712004350.db2.gz FSFJUDHZFXBDPN-MAUKXSAKSA-N 2 2 348.491 1.674 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004576798 712004351 /nfs/dbraw/zinc/00/43/51/712004351.db2.gz FSFJUDHZFXBDPN-MAUKXSAKSA-N 2 2 348.491 1.674 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004610529 712064284 /nfs/dbraw/zinc/06/42/84/712064284.db2.gz RKYVOTUHPZPTFU-KRWDZBQOSA-N 2 2 334.464 1.610 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004610529 712064285 /nfs/dbraw/zinc/06/42/85/712064285.db2.gz RKYVOTUHPZPTFU-KRWDZBQOSA-N 2 2 334.464 1.610 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652124 712203023 /nfs/dbraw/zinc/20/30/23/712203023.db2.gz MLQUMFVZBRTSBF-IXDOHACOSA-N 2 2 346.475 1.262 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]2C1 ZINC000946652124 712203025 /nfs/dbraw/zinc/20/30/25/712203025.db2.gz MLQUMFVZBRTSBF-IXDOHACOSA-N 2 2 346.475 1.262 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3nc[nH]n3)CC2)CC1 ZINC000557664335 306232650 /nfs/dbraw/zinc/23/26/50/306232650.db2.gz RFGPFIAGGRKLKE-CYBMUJFWSA-N 2 2 334.468 1.178 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3nnc[nH]3)CC2)CC1 ZINC000557664335 306232651 /nfs/dbraw/zinc/23/26/51/306232651.db2.gz RFGPFIAGGRKLKE-CYBMUJFWSA-N 2 2 334.468 1.178 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000557683516 306233206 /nfs/dbraw/zinc/23/32/06/306233206.db2.gz QIHNUIXCRSRMDH-HNNXBMFYSA-N 2 2 328.420 1.884 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000557683516 306233207 /nfs/dbraw/zinc/23/32/07/306233207.db2.gz QIHNUIXCRSRMDH-HNNXBMFYSA-N 2 2 328.420 1.884 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000330863744 282155071 /nfs/dbraw/zinc/15/50/71/282155071.db2.gz TYQHALTYRIFKII-JKSUJKDBSA-N 2 2 325.478 1.303 20 0 EDADLP CN(C)S(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000330863744 282155074 /nfs/dbraw/zinc/15/50/74/282155074.db2.gz TYQHALTYRIFKII-JKSUJKDBSA-N 2 2 325.478 1.303 20 0 EDADLP [NH3+]C[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000561147715 306282668 /nfs/dbraw/zinc/28/26/68/306282668.db2.gz YRQMSZOHZMOGBP-MSOLQXFVSA-N 2 2 346.475 1.268 20 0 EDADLP [NH3+]C[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000561147715 306282669 /nfs/dbraw/zinc/28/26/69/306282669.db2.gz YRQMSZOHZMOGBP-MSOLQXFVSA-N 2 2 346.475 1.268 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857475 535071444 /nfs/dbraw/zinc/07/14/44/535071444.db2.gz MJJSWFVQSQJOSP-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857475 535071447 /nfs/dbraw/zinc/07/14/47/535071447.db2.gz MJJSWFVQSQJOSP-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)C[C@@H]21 ZINC000412427690 304007244 /nfs/dbraw/zinc/00/72/44/304007244.db2.gz QZPINPFUVDWLPI-RBUKOAKNSA-N 2 2 343.471 1.828 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333886269 539657271 /nfs/dbraw/zinc/65/72/71/539657271.db2.gz FWFZVTMGSPJLLB-HOTGVXAUSA-N 2 2 329.448 1.575 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068466 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RREXEQGOZPKFDB-ZDUSSCGKSA-N 2 2 327.375 1.322 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000565060299 306373964 /nfs/dbraw/zinc/37/39/64/306373964.db2.gz GDCMJCXDFCAILR-UHFFFAOYSA-N 2 2 329.448 1.683 20 0 EDADLP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414068273 304099664 /nfs/dbraw/zinc/09/96/64/304099664.db2.gz QTNJFXFYMZCJPK-QGZVFWFLSA-N 2 2 327.476 1.889 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccn(C)n1 ZINC000414067054 304099669 /nfs/dbraw/zinc/09/96/69/304099669.db2.gz HPJYMJXMUXTWCM-INIZCTEOSA-N 3 2 328.464 1.678 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 ZINC000351859263 296029142 /nfs/dbraw/zinc/02/91/42/296029142.db2.gz CLMIWJYAFONGCM-OLZOCXBDSA-N 2 2 330.432 1.419 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 ZINC000351859263 296029144 /nfs/dbraw/zinc/02/91/44/296029144.db2.gz CLMIWJYAFONGCM-OLZOCXBDSA-N 2 2 330.432 1.419 20 0 EDADLP CC[NH+](CC)CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000047578355 201108980 /nfs/dbraw/zinc/10/89/80/201108980.db2.gz WYFUEFQVCWBUTM-SFHVURJKSA-N 2 2 348.491 1.701 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnn(C(C)(C)C)c3)CC2)CC1 ZINC000050797601 201125529 /nfs/dbraw/zinc/12/55/29/201125529.db2.gz HZYDHUBQVZGQNQ-UHFFFAOYSA-N 2 2 347.507 1.927 20 0 EDADLP CCn1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000051235894 201125562 /nfs/dbraw/zinc/12/55/62/201125562.db2.gz CJDHOVKAWXWONA-UHFFFAOYSA-N 2 2 334.468 1.583 20 0 EDADLP COC(=O)c1occc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136066688 201131942 /nfs/dbraw/zinc/13/19/42/201131942.db2.gz YBNNHHJLJZCCOY-MRXNPFEDSA-N 2 2 335.448 1.668 20 0 EDADLP COC(=O)c1occc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136066688 201131945 /nfs/dbraw/zinc/13/19/45/201131945.db2.gz YBNNHHJLJZCCOY-MRXNPFEDSA-N 2 2 335.448 1.668 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565635024 306388033 /nfs/dbraw/zinc/38/80/33/306388033.db2.gz WZMZUSVKZXYIAM-WCVJEAGWSA-N 2 2 333.480 1.861 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C[C@H](C)[NH2+]1 ZINC000153943388 201394581 /nfs/dbraw/zinc/39/45/81/201394581.db2.gz YNMNFOZYIWIXAN-HLLBOEOZSA-N 2 2 333.501 1.985 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000565892775 306394234 /nfs/dbraw/zinc/39/42/34/306394234.db2.gz QNOLSPQYYQHICW-OAHLLOKOSA-N 2 2 337.439 1.899 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000565892775 306394235 /nfs/dbraw/zinc/39/42/35/306394235.db2.gz QNOLSPQYYQHICW-OAHLLOKOSA-N 2 2 337.439 1.899 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414717739 304131932 /nfs/dbraw/zinc/13/19/32/304131932.db2.gz ZYCHRQDPBAGCLN-GOSISDBHSA-N 3 2 346.519 1.684 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414717739 304131934 /nfs/dbraw/zinc/13/19/34/304131934.db2.gz ZYCHRQDPBAGCLN-GOSISDBHSA-N 3 2 346.519 1.684 20 0 EDADLP C[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000192126361 138937176 /nfs/dbraw/zinc/93/71/76/138937176.db2.gz BIGJFZYEVPBLME-WMZOPIPTSA-N 2 2 331.460 1.345 20 0 EDADLP COc1ccc(OCc2ccccn2)c(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415072968 304157235 /nfs/dbraw/zinc/15/72/35/304157235.db2.gz XQRZXBFGOZLRMP-MRXNPFEDSA-N 2 2 331.416 1.421 20 0 EDADLP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415072968 304157239 /nfs/dbraw/zinc/15/72/39/304157239.db2.gz XQRZXBFGOZLRMP-MRXNPFEDSA-N 2 2 331.416 1.421 20 0 EDADLP CC(C)(C)[NH2+]CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415089654 304158516 /nfs/dbraw/zinc/15/85/16/304158516.db2.gz NXHORNMFSVOHSH-SFHVURJKSA-N 3 2 346.519 1.862 20 0 EDADLP CC(C)(C)[NH2+]CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415089654 304158518 /nfs/dbraw/zinc/15/85/18/304158518.db2.gz NXHORNMFSVOHSH-SFHVURJKSA-N 3 2 346.519 1.862 20 0 EDADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415090415 304158593 /nfs/dbraw/zinc/15/85/93/304158593.db2.gz AMYFLSOCFQTGAZ-SFHVURJKSA-N 2 2 328.460 1.935 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(O)c1 ZINC000105169547 204136579 /nfs/dbraw/zinc/13/65/79/204136579.db2.gz LLLUFYYVCOGUMZ-UHFFFAOYSA-N 2 2 334.464 1.560 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(O)c1 ZINC000105169547 204136583 /nfs/dbraw/zinc/13/65/83/204136583.db2.gz LLLUFYYVCOGUMZ-UHFFFAOYSA-N 2 2 334.464 1.560 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1ncc2ccccc21 ZINC000107358653 204234052 /nfs/dbraw/zinc/23/40/52/204234052.db2.gz RBQOBHBJSXVBJS-UHFFFAOYSA-N 2 2 343.475 1.521 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1ncc2ccccc21 ZINC000107358653 204234056 /nfs/dbraw/zinc/23/40/56/204234056.db2.gz RBQOBHBJSXVBJS-UHFFFAOYSA-N 2 2 343.475 1.521 20 0 EDADLP NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793197 204293767 /nfs/dbraw/zinc/29/37/67/204293767.db2.gz IJFUEGRYLWWLBZ-UHFFFAOYSA-N 2 2 327.388 1.258 20 0 EDADLP C[C@H](c1cccc(NC(=O)NCC(F)(F)C[NH3+])c1)[NH+]1CCOCC1 ZINC000415147674 304165219 /nfs/dbraw/zinc/16/52/19/304165219.db2.gz IIIRRTDBOMZGJB-GFCCVEGCSA-N 2 2 342.390 1.795 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415152710 304166320 /nfs/dbraw/zinc/16/63/20/304166320.db2.gz HSQDQFQMIKDZSK-KBPBESRZSA-N 2 2 329.404 1.916 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378438875 284300380 /nfs/dbraw/zinc/30/03/80/284300380.db2.gz YKXGVSOKGRRJPN-MJGOQNOKSA-N 2 2 345.487 1.860 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378438875 284300381 /nfs/dbraw/zinc/30/03/81/284300381.db2.gz YKXGVSOKGRRJPN-MJGOQNOKSA-N 2 2 345.487 1.860 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415154392 304166561 /nfs/dbraw/zinc/16/65/61/304166561.db2.gz KFESQRZIOVGQSC-CQSZACIVSA-N 2 2 329.404 1.788 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000236901167 139034583 /nfs/dbraw/zinc/03/45/83/139034583.db2.gz VSGDNNDBGNXHQI-KDOFPFPSSA-N 2 2 349.475 1.721 20 0 EDADLP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000237096564 139040581 /nfs/dbraw/zinc/04/05/81/139040581.db2.gz PHCIAPJDFCLVJA-GOSISDBHSA-N 2 2 346.475 1.392 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000237167254 139042689 /nfs/dbraw/zinc/04/26/89/139042689.db2.gz MPQCEIASEOVZOG-UHFFFAOYSA-N 2 2 346.456 1.568 20 0 EDADLP C[C@@H](C(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000125452919 205011595 /nfs/dbraw/zinc/01/15/95/205011595.db2.gz DZGBSRHEIUTQQV-HNNXBMFYSA-N 2 2 348.466 1.547 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000237300215 139047013 /nfs/dbraw/zinc/04/70/13/139047013.db2.gz KYPNBBSADBEKEO-AWEZNQCLSA-N 2 2 335.448 1.204 20 0 EDADLP CC[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000127796867 205117309 /nfs/dbraw/zinc/11/73/09/205117309.db2.gz NPJNWLIJKUSWFX-AWEZNQCLSA-N 2 2 325.478 1.511 20 0 EDADLP COc1ccc(C)nc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000128076223 205132213 /nfs/dbraw/zinc/13/22/13/205132213.db2.gz CISUOLPLBWHGJI-UHFFFAOYSA-N 2 2 335.452 1.546 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCC[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000237442692 139051394 /nfs/dbraw/zinc/05/13/94/139051394.db2.gz PLNZBBZTWMZDMK-SPYBWZPUSA-N 2 2 346.475 1.701 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130488984 205242360 /nfs/dbraw/zinc/24/23/60/205242360.db2.gz YQWWJEOJRYOVIP-SOLBZPMBSA-N 3 2 331.508 1.652 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130488984 205242363 /nfs/dbraw/zinc/24/23/63/205242363.db2.gz YQWWJEOJRYOVIP-SOLBZPMBSA-N 3 2 331.508 1.652 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NCC[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000080322379 217297383 /nfs/dbraw/zinc/29/73/83/217297383.db2.gz FEGQROZQVPVNDX-WBVHZDCISA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@]1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CCCC[NH2+]1 ZINC000237557992 139053961 /nfs/dbraw/zinc/05/39/61/139053961.db2.gz VZNPXINLTHKAAP-IBGZPJMESA-N 2 2 331.460 1.742 20 0 EDADLP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000132839595 205344361 /nfs/dbraw/zinc/34/43/61/205344361.db2.gz XNDIRIDPGFNBIP-CABCVRRESA-N 2 2 326.391 1.571 20 0 EDADLP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000132839595 205344365 /nfs/dbraw/zinc/34/43/65/205344365.db2.gz XNDIRIDPGFNBIP-CABCVRRESA-N 2 2 326.391 1.571 20 0 EDADLP C[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000237565292 139054201 /nfs/dbraw/zinc/05/42/01/139054201.db2.gz ZPOGQIQUPDGTEV-HKUYNNGSSA-N 2 2 331.460 1.566 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CC3CC[NH2+]CC3)c[nH+]2)C[C@H](C)O1 ZINC000237660431 139057208 /nfs/dbraw/zinc/05/72/08/139057208.db2.gz XAJKFFVDLKLLME-GJZGRUSLSA-N 2 2 346.475 1.701 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C1CC[NH2+]CC1 ZINC000237665924 139057397 /nfs/dbraw/zinc/05/73/97/139057397.db2.gz AOOFWLRPEXWPDZ-QGZVFWFLSA-N 2 2 345.487 1.736 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000237974093 139065458 /nfs/dbraw/zinc/06/54/58/139065458.db2.gz ZECMONNMQOCGNH-SZMVWBNQSA-N 2 2 328.460 1.647 20 0 EDADLP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000237924707 139063926 /nfs/dbraw/zinc/06/39/26/139063926.db2.gz GDGKRSFIUUSQIN-CQSZACIVSA-N 2 2 337.851 1.473 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000238062552 139067995 /nfs/dbraw/zinc/06/79/95/139067995.db2.gz KLGVOVDNYQBFPJ-QGZVFWFLSA-N 2 2 329.444 1.847 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccccc1 ZINC000245702216 139083753 /nfs/dbraw/zinc/08/37/53/139083753.db2.gz ZMKZDFGQSLZPSR-IXDOHACOSA-N 2 2 332.448 1.062 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccccc1 ZINC000245702216 139083754 /nfs/dbraw/zinc/08/37/54/139083754.db2.gz ZMKZDFGQSLZPSR-IXDOHACOSA-N 2 2 332.448 1.062 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000245702216 139083755 /nfs/dbraw/zinc/08/37/55/139083755.db2.gz ZMKZDFGQSLZPSR-IXDOHACOSA-N 2 2 332.448 1.062 20 0 EDADLP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccccc1 ZINC000245702216 139083756 /nfs/dbraw/zinc/08/37/56/139083756.db2.gz ZMKZDFGQSLZPSR-IXDOHACOSA-N 2 2 332.448 1.062 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767214 139085802 /nfs/dbraw/zinc/08/58/02/139085802.db2.gz QZGHLOABWREZOV-FUHWJXTLSA-N 3 2 346.523 1.391 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767214 139085803 /nfs/dbraw/zinc/08/58/03/139085803.db2.gz QZGHLOABWREZOV-FUHWJXTLSA-N 3 2 346.523 1.391 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767214 139085804 /nfs/dbraw/zinc/08/58/04/139085804.db2.gz QZGHLOABWREZOV-FUHWJXTLSA-N 3 2 346.523 1.391 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@@H](C)C1 ZINC000245767214 139085805 /nfs/dbraw/zinc/08/58/05/139085805.db2.gz QZGHLOABWREZOV-FUHWJXTLSA-N 3 2 346.523 1.391 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000157494249 206138801 /nfs/dbraw/zinc/13/88/01/206138801.db2.gz AUTGMOVVZAAMIY-UHFFFAOYSA-N 2 2 349.479 1.400 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000157298278 206129273 /nfs/dbraw/zinc/12/92/73/206129273.db2.gz BIOZLAUHUMXAAX-CQSZACIVSA-N 2 2 342.534 1.566 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000157298278 206129278 /nfs/dbraw/zinc/12/92/78/206129278.db2.gz BIOZLAUHUMXAAX-CQSZACIVSA-N 2 2 342.534 1.566 20 0 EDADLP Cc1ccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c(C)[nH+]1 ZINC000415284292 304185272 /nfs/dbraw/zinc/18/52/72/304185272.db2.gz OWMMIGUEPCKYTD-AWEZNQCLSA-N 2 2 333.436 1.550 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159084573 206225490 /nfs/dbraw/zinc/22/54/90/206225490.db2.gz GPXKQOKJTJPABS-UHFFFAOYSA-N 2 2 343.475 1.536 20 0 EDADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246356462 139105195 /nfs/dbraw/zinc/10/51/95/139105195.db2.gz ICLWPDHFEGNCIT-IKGGRYGDSA-N 2 2 337.508 1.724 20 0 EDADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246441237 139108640 /nfs/dbraw/zinc/10/86/40/139108640.db2.gz ONEPEIBEWPYIGF-NJAFHUGGSA-N 2 2 345.491 1.685 20 0 EDADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246441237 139108641 /nfs/dbraw/zinc/10/86/41/139108641.db2.gz ONEPEIBEWPYIGF-NJAFHUGGSA-N 2 2 345.491 1.685 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246621392 139115498 /nfs/dbraw/zinc/11/54/98/139115498.db2.gz HGGYXJJZQHEVCL-WBVHZDCISA-N 2 2 349.450 1.485 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246621392 139115499 /nfs/dbraw/zinc/11/54/99/139115499.db2.gz HGGYXJJZQHEVCL-WBVHZDCISA-N 2 2 349.450 1.485 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246663589 139116883 /nfs/dbraw/zinc/11/68/83/139116883.db2.gz JBJWZXHXTQRERQ-ROUUACIJSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246663589 139116884 /nfs/dbraw/zinc/11/68/84/139116884.db2.gz JBJWZXHXTQRERQ-ROUUACIJSA-N 2 2 334.460 1.389 20 0 EDADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352477537 284519055 /nfs/dbraw/zinc/51/90/55/284519055.db2.gz MROCQLIXYNELSO-RBUKOAKNSA-N 2 2 344.503 1.576 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000247088231 139135171 /nfs/dbraw/zinc/13/51/71/139135171.db2.gz HLQFPZRACCOKGJ-KGLIPLIRSA-N 2 2 335.452 1.705 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000247088231 139135172 /nfs/dbraw/zinc/13/51/72/139135172.db2.gz HLQFPZRACCOKGJ-KGLIPLIRSA-N 2 2 335.452 1.705 20 0 EDADLP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150536 206398017 /nfs/dbraw/zinc/39/80/17/206398017.db2.gz YBKCDCIUTQNXJU-ROUUACIJSA-N 2 2 337.508 1.822 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000415354219 304201879 /nfs/dbraw/zinc/20/18/79/304201879.db2.gz DNTPWFKXMMNJCE-OAHLLOKOSA-N 2 2 341.415 1.236 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000165456899 206516948 /nfs/dbraw/zinc/51/69/48/206516948.db2.gz XKHDWRAZLGYRTR-AWEZNQCLSA-N 2 2 326.466 1.016 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000410592782 250351093 /nfs/dbraw/zinc/35/10/93/250351093.db2.gz QYTCIQLVRDOANR-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP C[C@H]([NH3+])CC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000261637345 139213353 /nfs/dbraw/zinc/21/33/53/139213353.db2.gz AMHPOXWGYGGRDG-LBPRGKRZSA-N 2 2 335.839 1.369 20 0 EDADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000569122736 306497422 /nfs/dbraw/zinc/49/74/22/306497422.db2.gz IFJMFKHZWWKBAA-SJLPKXTDSA-N 2 2 331.460 1.944 20 0 EDADLP COc1cc(C(=O)N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)ccc1C ZINC000261787616 139225916 /nfs/dbraw/zinc/22/59/16/139225916.db2.gz FYOGFHZBOLROBZ-INIZCTEOSA-N 2 2 331.460 1.761 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261836084 139230252 /nfs/dbraw/zinc/23/02/52/139230252.db2.gz QJBDJCLVXWTNHY-LJQANCHMSA-N 2 2 349.475 1.723 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261836084 139230253 /nfs/dbraw/zinc/23/02/53/139230253.db2.gz QJBDJCLVXWTNHY-LJQANCHMSA-N 2 2 349.475 1.723 20 0 EDADLP C[NH+]1CCN([C@H](c2nc(C3([NH3+])CCC3)no2)c2ccccc2)CC1 ZINC000261902993 139235325 /nfs/dbraw/zinc/23/53/25/139235325.db2.gz YTQOKODCPYUHNH-HNNXBMFYSA-N 2 2 327.432 1.744 20 0 EDADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H]([NH3+])COC)CC1 ZINC000262178663 139257600 /nfs/dbraw/zinc/25/76/00/139257600.db2.gz BHWNTCIOTCOMIU-CVEARBPZSA-N 2 2 341.402 1.534 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000416150177 251053275 /nfs/dbraw/zinc/05/32/75/251053275.db2.gz JDBKKBOFEAGPCN-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000416150177 251053278 /nfs/dbraw/zinc/05/32/78/251053278.db2.gz JDBKKBOFEAGPCN-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000175258201 207108220 /nfs/dbraw/zinc/10/82/20/207108220.db2.gz LFGZAUUGBGLTPI-UHFFFAOYSA-N 2 2 325.844 1.883 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2CCC[C@H]2C[NH3+])[NH+]2CCOCC2)c1 ZINC000416996483 251122857 /nfs/dbraw/zinc/12/28/57/251122857.db2.gz MXPWASSSSIFPPT-ROUUACIJSA-N 2 2 346.475 1.501 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]([NH3+])C3)c[nH+]2)C[C@H](C)O1 ZINC000416994887 251122936 /nfs/dbraw/zinc/12/29/36/251122936.db2.gz USMXMEJVZBGQII-LZWOXQAQSA-N 2 2 347.463 1.328 20 0 EDADLP CCO[C@@H](CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000175839812 207164407 /nfs/dbraw/zinc/16/44/07/207164407.db2.gz IUCUUFQFBBSIOB-KRWDZBQOSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000417661805 251217056 /nfs/dbraw/zinc/21/70/56/251217056.db2.gz QFXQGXQJSPHIAQ-FZMZJTMJSA-N 2 2 326.391 1.700 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944407 251317524 /nfs/dbraw/zinc/31/75/24/251317524.db2.gz CHSXLXMDIIZBHU-WKPIXPDZSA-N 2 2 326.391 1.747 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944407 251317527 /nfs/dbraw/zinc/31/75/27/251317527.db2.gz CHSXLXMDIIZBHU-WKPIXPDZSA-N 2 2 326.391 1.747 20 0 EDADLP C[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262564144 139286846 /nfs/dbraw/zinc/28/68/46/139286846.db2.gz BKNNSJWKVHNFNX-CVEARBPZSA-N 2 2 348.466 1.452 20 0 EDADLP Cc1cc(N2CCC[C@H](C(=O)NCC[NH3+])C2)c2cccc(F)c2[nH+]1 ZINC000420159106 251622916 /nfs/dbraw/zinc/62/29/16/251622916.db2.gz CZFJZKGXYYBGJV-ZDUSSCGKSA-N 2 2 330.407 1.974 20 0 EDADLP Cc1ccc(CNC(=O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000177378933 207328692 /nfs/dbraw/zinc/32/86/92/207328692.db2.gz AEHGHGHERXDTRE-UHFFFAOYSA-N 2 2 346.519 1.569 20 0 EDADLP Cc1ccc(CNC(=O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000177378933 207328696 /nfs/dbraw/zinc/32/86/96/207328696.db2.gz AEHGHGHERXDTRE-UHFFFAOYSA-N 2 2 346.519 1.569 20 0 EDADLP Cc1ccc(CNC(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000177378933 207328698 /nfs/dbraw/zinc/32/86/98/207328698.db2.gz AEHGHGHERXDTRE-UHFFFAOYSA-N 2 2 346.519 1.569 20 0 EDADLP Cc1ccc(CNC(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000177378933 207328703 /nfs/dbraw/zinc/32/87/03/207328703.db2.gz AEHGHGHERXDTRE-UHFFFAOYSA-N 2 2 346.519 1.569 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000262791456 139303932 /nfs/dbraw/zinc/30/39/32/139303932.db2.gz DDOSWKJFUDDHNK-ZIAGYGMSSA-N 2 2 339.867 1.909 20 0 EDADLP COC1CC[NH+](C2(C[NH2+][C@H](C)C[C@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000422883123 252009879 /nfs/dbraw/zinc/00/98/79/252009879.db2.gz BPOBZPREASDCPP-SJORKVTESA-N 3 2 339.524 1.767 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422886076 252012307 /nfs/dbraw/zinc/01/23/07/252012307.db2.gz VYNYRMRQNHDZEX-VQIMIIECSA-N 3 2 344.503 1.694 20 0 EDADLP C[C@@H](NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422886076 252012310 /nfs/dbraw/zinc/01/23/10/252012310.db2.gz VYNYRMRQNHDZEX-VQIMIIECSA-N 2 2 344.503 1.694 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422816656 251987339 /nfs/dbraw/zinc/98/73/39/251987339.db2.gz FQAQVHXZDQULGR-HUUCEWRRSA-N 2 2 325.478 1.687 20 0 EDADLP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H]1CC[NH2+]C1 ZINC000423154276 252038924 /nfs/dbraw/zinc/03/89/24/252038924.db2.gz JFPICOHOTZKHLY-OCCSQVGLSA-N 2 2 327.266 1.860 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)cn2c1 ZINC000423352200 252049106 /nfs/dbraw/zinc/04/91/06/252049106.db2.gz KDHIGJVIMBECTQ-ZDUSSCGKSA-N 2 2 338.415 1.763 20 0 EDADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)CCC[NH2+]1 ZINC000423415519 252054242 /nfs/dbraw/zinc/05/42/42/252054242.db2.gz PDGYPZQUVFHPTF-KSSFIOAISA-N 2 2 336.432 1.658 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)CC2 ZINC000423485324 252055565 /nfs/dbraw/zinc/05/55/65/252055565.db2.gz ZCKKYOGJIOMIGB-ZIAGYGMSSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)CC2 ZINC000423485324 252055567 /nfs/dbraw/zinc/05/55/67/252055567.db2.gz ZCKKYOGJIOMIGB-ZIAGYGMSSA-N 2 2 347.459 1.258 20 0 EDADLP Cc1nc(N2CCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000423779984 252070105 /nfs/dbraw/zinc/07/01/05/252070105.db2.gz JBSIOBRMTDGLNW-CQSZACIVSA-N 2 2 331.464 1.459 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000423866565 252097164 /nfs/dbraw/zinc/09/71/64/252097164.db2.gz FPCLSTPMGGKCDL-SUMDDJOVSA-N 2 2 331.460 1.430 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000423791090 252075124 /nfs/dbraw/zinc/07/51/24/252075124.db2.gz AWTNZDSDNPXLOD-ZDUSSCGKSA-N 2 2 336.461 1.260 20 0 EDADLP O=C(c1ccc2[nH+]ccn2c1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424225224 252169589 /nfs/dbraw/zinc/16/95/89/252169589.db2.gz POHBWQPXQFHWGZ-UHFFFAOYSA-N 2 2 336.399 1.611 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)c2)CC1 ZINC000262936111 139313783 /nfs/dbraw/zinc/31/37/83/139313783.db2.gz IGWUZMJWLCKIED-HNNXBMFYSA-N 2 2 338.402 1.370 20 0 EDADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)C[C@H]2C1 ZINC000424274564 252188718 /nfs/dbraw/zinc/18/87/18/252188718.db2.gz WDOREASQWHRSJT-MDMSPXHWSA-N 2 2 337.508 1.722 20 0 EDADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)C[C@H]2C1 ZINC000424274564 252188723 /nfs/dbraw/zinc/18/87/23/252188723.db2.gz WDOREASQWHRSJT-MDMSPXHWSA-N 2 2 337.508 1.722 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000424434216 252228458 /nfs/dbraw/zinc/22/84/58/252228458.db2.gz DEUQUHSHFPKAEX-UHFFFAOYSA-N 2 2 341.415 1.170 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261692791 285091263 /nfs/dbraw/zinc/09/12/63/285091263.db2.gz KSPLZBKAYQRFGF-HNAYVOBHSA-N 2 2 347.459 1.346 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261692791 285091265 /nfs/dbraw/zinc/09/12/65/285091265.db2.gz KSPLZBKAYQRFGF-HNAYVOBHSA-N 2 2 347.459 1.346 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000415696698 304258082 /nfs/dbraw/zinc/25/80/82/304258082.db2.gz VAFUAPLDMIUIKC-GOSISDBHSA-N 2 2 341.415 1.223 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000427910898 254504925 /nfs/dbraw/zinc/50/49/25/254504925.db2.gz ZBDIQIDZRZDELU-INIZCTEOSA-N 2 2 333.480 1.356 20 0 EDADLP C[NH+](C)CCOCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000471642691 255015453 /nfs/dbraw/zinc/01/54/53/255015453.db2.gz MSERVGKECCWGHQ-UHFFFAOYSA-N 2 2 345.447 1.309 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000488836287 255056837 /nfs/dbraw/zinc/05/68/37/255056837.db2.gz ZXMSRDALNTYJET-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000488836287 255056839 /nfs/dbraw/zinc/05/68/39/255056839.db2.gz ZXMSRDALNTYJET-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000488836287 255056840 /nfs/dbraw/zinc/05/68/40/255056840.db2.gz ZXMSRDALNTYJET-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000488836287 255056842 /nfs/dbraw/zinc/05/68/42/255056842.db2.gz ZXMSRDALNTYJET-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP CC(C)[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC[N@@H+]1C ZINC000488005359 255040361 /nfs/dbraw/zinc/04/03/61/255040361.db2.gz YSPFYWVQGZDVLV-GOSISDBHSA-N 2 2 348.491 1.196 20 0 EDADLP CC(C)[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC[N@H+]1C ZINC000488005359 255040363 /nfs/dbraw/zinc/04/03/63/255040363.db2.gz YSPFYWVQGZDVLV-GOSISDBHSA-N 2 2 348.491 1.196 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cccnc1 ZINC000154435447 224253209 /nfs/dbraw/zinc/25/32/09/224253209.db2.gz LISUCNVDOZHRHS-YJJAZYOBSA-N 2 2 342.487 1.955 20 0 EDADLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cccnc1 ZINC000154435447 224253210 /nfs/dbraw/zinc/25/32/10/224253210.db2.gz LISUCNVDOZHRHS-YJJAZYOBSA-N 2 2 342.487 1.955 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000491963747 255156059 /nfs/dbraw/zinc/15/60/59/255156059.db2.gz MZSDFLOTKMBCHB-WHJWBVKISA-N 2 2 338.427 1.438 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000491963747 255156060 /nfs/dbraw/zinc/15/60/60/255156060.db2.gz MZSDFLOTKMBCHB-WHJWBVKISA-N 2 2 338.427 1.438 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000493969613 255228800 /nfs/dbraw/zinc/22/88/00/255228800.db2.gz OSVDMHMNKWWDSQ-CHWSQXEVSA-N 2 2 345.447 1.359 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494888318 255264398 /nfs/dbraw/zinc/26/43/98/255264398.db2.gz HLNZLSFTKBBJMN-MSOLQXFVSA-N 2 2 329.444 1.343 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000496040092 255345373 /nfs/dbraw/zinc/34/53/73/255345373.db2.gz BXNWISGCOYNNMV-QGZVFWFLSA-N 2 2 338.452 1.625 20 0 EDADLP C[N@H+](CCc1nccs1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496121787 255355114 /nfs/dbraw/zinc/35/51/14/255355114.db2.gz QILAISJXXJQACR-MRXNPFEDSA-N 2 2 336.461 1.492 20 0 EDADLP C[N@@H+](CCc1nccs1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496121787 255355115 /nfs/dbraw/zinc/35/51/15/255355115.db2.gz QILAISJXXJQACR-MRXNPFEDSA-N 2 2 336.461 1.492 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000263938787 139370862 /nfs/dbraw/zinc/37/08/62/139370862.db2.gz AKTOYWGYSSCBFA-KRWDZBQOSA-N 2 2 346.475 1.617 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000263938787 139370863 /nfs/dbraw/zinc/37/08/63/139370863.db2.gz AKTOYWGYSSCBFA-KRWDZBQOSA-N 2 2 346.475 1.617 20 0 EDADLP O=C1[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCCN1c1cccc(F)c1 ZINC000352496084 296430646 /nfs/dbraw/zinc/43/06/46/296430646.db2.gz RQBMUFREACHFKN-ZWKOTPCHSA-N 2 2 346.450 1.301 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000263994759 139374565 /nfs/dbraw/zinc/37/45/65/139374565.db2.gz LHUPHEQDYPNRID-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000263994759 139374566 /nfs/dbraw/zinc/37/45/66/139374566.db2.gz LHUPHEQDYPNRID-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000269961821 140025205 /nfs/dbraw/zinc/02/52/05/140025205.db2.gz PYIXDGVVHBQZGJ-IAGOWNOFSA-N 2 2 343.475 1.930 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000270092004 140044341 /nfs/dbraw/zinc/04/43/41/140044341.db2.gz AQIXEANARLCHHQ-MRXNPFEDSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)N1CCOCC1 ZINC000270092004 140044342 /nfs/dbraw/zinc/04/43/42/140044342.db2.gz AQIXEANARLCHHQ-MRXNPFEDSA-N 2 2 342.443 1.668 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000270472997 140106775 /nfs/dbraw/zinc/10/67/75/140106775.db2.gz CIEPYZJYRYQECW-KRWDZBQOSA-N 2 2 330.432 1.120 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000270533448 140118401 /nfs/dbraw/zinc/11/84/01/140118401.db2.gz OPJCGDPFNFKUSC-SFHVURJKSA-N 2 2 342.443 1.460 20 0 EDADLP CCNC(=O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271256821 140265342 /nfs/dbraw/zinc/26/53/42/140265342.db2.gz ISZDRCJTKXVQJL-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP CCNC(=O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271256821 140265344 /nfs/dbraw/zinc/26/53/44/140265344.db2.gz ISZDRCJTKXVQJL-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000416297160 304305331 /nfs/dbraw/zinc/30/53/31/304305331.db2.gz PHTCHOLGYHLCEJ-BRWVUGGUSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000416297160 304305333 /nfs/dbraw/zinc/30/53/33/304305333.db2.gz PHTCHOLGYHLCEJ-BRWVUGGUSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000416297160 304305335 /nfs/dbraw/zinc/30/53/35/304305335.db2.gz PHTCHOLGYHLCEJ-BRWVUGGUSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000416297160 304305337 /nfs/dbraw/zinc/30/53/37/304305337.db2.gz PHTCHOLGYHLCEJ-BRWVUGGUSA-N 2 2 345.487 1.347 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc[nH+]2)C1 ZINC000271565203 140312178 /nfs/dbraw/zinc/31/21/78/140312178.db2.gz APJVJITXYPRKGJ-HUUCEWRRSA-N 2 2 342.447 1.792 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)[nH+]cn2)C1 ZINC000271565203 140312179 /nfs/dbraw/zinc/31/21/79/140312179.db2.gz APJVJITXYPRKGJ-HUUCEWRRSA-N 2 2 342.447 1.792 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@@H+]1C[C@@H](C)O ZINC000271590875 140316475 /nfs/dbraw/zinc/31/64/75/140316475.db2.gz XHNHSLSYVBTRMH-GDBMZVCRSA-N 2 2 345.447 1.952 20 0 EDADLP CC[C@@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC[N@H+]1C[C@@H](C)O ZINC000271590875 140316476 /nfs/dbraw/zinc/31/64/76/140316476.db2.gz XHNHSLSYVBTRMH-GDBMZVCRSA-N 2 2 345.447 1.952 20 0 EDADLP COC(=O)c1occc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000343881623 292040242 /nfs/dbraw/zinc/04/02/42/292040242.db2.gz DLTHDQVYVWHWGG-UHFFFAOYSA-N 2 2 344.415 1.503 20 0 EDADLP COc1ccccc1[C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000272229225 140421206 /nfs/dbraw/zinc/42/12/06/140421206.db2.gz LMHVDJRHQMECQL-HNNXBMFYSA-N 2 2 349.475 1.573 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[N@H+](C)C1 ZINC000331392554 141016152 /nfs/dbraw/zinc/01/61/52/141016152.db2.gz JSGZEXBWRZBBDH-HOTGVXAUSA-N 2 2 332.448 1.407 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[N@@H+](C)C1 ZINC000331392554 141016153 /nfs/dbraw/zinc/01/61/53/141016153.db2.gz JSGZEXBWRZBBDH-HOTGVXAUSA-N 2 2 332.448 1.407 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccco2)C[C@H]1C ZINC000331624157 141058539 /nfs/dbraw/zinc/05/85/39/141058539.db2.gz FVWJELTZRLDSJB-ZIAGYGMSSA-N 2 2 336.436 1.410 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccco2)C[C@H]1C ZINC000331624157 141058540 /nfs/dbraw/zinc/05/85/40/141058540.db2.gz FVWJELTZRLDSJB-ZIAGYGMSSA-N 2 2 336.436 1.410 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NCc2ccco2)C[C@H]1C ZINC000331624157 141058541 /nfs/dbraw/zinc/05/85/41/141058541.db2.gz FVWJELTZRLDSJB-ZIAGYGMSSA-N 2 2 336.436 1.410 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccco2)C[C@H]1C ZINC000331624157 141058543 /nfs/dbraw/zinc/05/85/43/141058543.db2.gz FVWJELTZRLDSJB-ZIAGYGMSSA-N 2 2 336.436 1.410 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)nn1 ZINC000331718671 141072528 /nfs/dbraw/zinc/07/25/28/141072528.db2.gz IBBOBVGAHIVKDX-KBXCAEBGSA-N 2 2 344.463 1.734 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)nn1 ZINC000331718671 141072529 /nfs/dbraw/zinc/07/25/29/141072529.db2.gz IBBOBVGAHIVKDX-KBXCAEBGSA-N 2 2 344.463 1.734 20 0 EDADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)nn1 ZINC000331718671 141072530 /nfs/dbraw/zinc/07/25/30/141072530.db2.gz IBBOBVGAHIVKDX-KBXCAEBGSA-N 2 2 344.463 1.734 20 0 EDADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)nn1 ZINC000331718671 141072531 /nfs/dbraw/zinc/07/25/31/141072531.db2.gz IBBOBVGAHIVKDX-KBXCAEBGSA-N 2 2 344.463 1.734 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)[C@H]1C ZINC000331965978 141104309 /nfs/dbraw/zinc/10/43/09/141104309.db2.gz RFVWTRKTGSSBMF-PMPSAXMXSA-N 2 2 333.480 1.483 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C[C@@H]21 ZINC000333127111 141268414 /nfs/dbraw/zinc/26/84/14/141268414.db2.gz BEOLVRJAVDFTLN-FXUDXRNXSA-N 2 2 329.448 1.429 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333135478 141269937 /nfs/dbraw/zinc/26/99/37/141269937.db2.gz CGUOLEDCUOXNSM-OAHLLOKOSA-N 2 2 329.448 1.445 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000333257626 141288434 /nfs/dbraw/zinc/28/84/34/141288434.db2.gz IIYIFVOMESUVJP-ZBFHGGJFSA-N 2 2 329.444 1.843 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nnc4n3CCOC4)C1)CCCC2 ZINC000333312284 141297330 /nfs/dbraw/zinc/29/73/30/141297330.db2.gz VMOQGUAJQSBFPV-AWEZNQCLSA-N 2 2 342.447 1.639 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nnc4n3CCOC4)C1)CCCC2 ZINC000333312284 141297331 /nfs/dbraw/zinc/29/73/31/141297331.db2.gz VMOQGUAJQSBFPV-AWEZNQCLSA-N 2 2 342.447 1.639 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333369624 141306995 /nfs/dbraw/zinc/30/69/95/141306995.db2.gz MFTQFGZDRIITFB-CRAIPNDOSA-N 2 2 329.448 1.445 20 0 EDADLP Cn1cc([C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@H]2[NH3+])cn1 ZINC000333632609 141347848 /nfs/dbraw/zinc/34/78/48/141347848.db2.gz VZOUQONYMBAMGW-LSDHHAIUSA-N 2 2 327.436 1.132 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000333679799 141355937 /nfs/dbraw/zinc/35/59/37/141355937.db2.gz ZMKVBSOVEKADHV-MVWHLILJSA-N 2 2 338.402 1.841 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000333679799 141355938 /nfs/dbraw/zinc/35/59/38/141355938.db2.gz ZMKVBSOVEKADHV-MVWHLILJSA-N 2 2 338.402 1.841 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)s1 ZINC000333708304 141362821 /nfs/dbraw/zinc/36/28/21/141362821.db2.gz RWGLFQGLOSTRMM-UONOGXRCSA-N 2 2 337.493 1.406 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000333837153 141391492 /nfs/dbraw/zinc/39/14/92/141391492.db2.gz NPIWLJNMQHYDOT-QFBILLFUSA-N 2 2 345.491 1.860 20 0 EDADLP COC(C)(C)[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000340215385 142306933 /nfs/dbraw/zinc/30/69/33/142306933.db2.gz RBFUPXSOOWAQOF-OAHLLOKOSA-N 2 2 334.464 1.523 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@@H+](C2CCC2)C1 ZINC000344767904 143009641 /nfs/dbraw/zinc/00/96/41/143009641.db2.gz GEAXFTCGKDONRB-LPHOPBHVSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+](C2CCC2)C1 ZINC000344767904 143009642 /nfs/dbraw/zinc/00/96/42/143009642.db2.gz GEAXFTCGKDONRB-LPHOPBHVSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344767904 143009643 /nfs/dbraw/zinc/00/96/43/143009643.db2.gz GEAXFTCGKDONRB-LPHOPBHVSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+](C2CCC2)C1 ZINC000344767904 143009644 /nfs/dbraw/zinc/00/96/44/143009644.db2.gz GEAXFTCGKDONRB-LPHOPBHVSA-N 2 2 349.519 1.963 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000345121250 143052982 /nfs/dbraw/zinc/05/29/82/143052982.db2.gz SCMFIFIDTQAZBF-BRWVUGGUSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000345121250 143052983 /nfs/dbraw/zinc/05/29/83/143052983.db2.gz SCMFIFIDTQAZBF-BRWVUGGUSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000345159473 143059207 /nfs/dbraw/zinc/05/92/07/143059207.db2.gz ZYICEHITUPNUEB-UHFFFAOYSA-N 2 2 347.385 1.318 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]([NH3+])CC(F)F)CC2)c1 ZINC000345711788 143124354 /nfs/dbraw/zinc/12/43/54/143124354.db2.gz MLMPIGXWZLXSJE-IUODEOHRSA-N 2 2 341.402 1.883 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)C[C@@H]1CCC[NH+](C)C1 ZINC000345744540 143127968 /nfs/dbraw/zinc/12/79/68/143127968.db2.gz YTQOAFLHKSTNND-CVEARBPZSA-N 2 2 347.459 1.216 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)C[C@@H]1CCC[NH+](C)C1 ZINC000345744540 143127969 /nfs/dbraw/zinc/12/79/69/143127969.db2.gz YTQOAFLHKSTNND-CVEARBPZSA-N 2 2 347.459 1.216 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1COc2ccccc2O1)C[C@@H]1CCC[N@H+](C)C1 ZINC000345744540 143127970 /nfs/dbraw/zinc/12/79/70/143127970.db2.gz YTQOAFLHKSTNND-CVEARBPZSA-N 2 2 347.459 1.216 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1COc2ccccc2O1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000345744540 143127971 /nfs/dbraw/zinc/12/79/71/143127971.db2.gz YTQOAFLHKSTNND-CVEARBPZSA-N 2 2 347.459 1.216 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[NH+]1CCOCC1 ZINC000345803568 143135390 /nfs/dbraw/zinc/13/53/90/143135390.db2.gz STNOIKKQMDPGHK-HNNXBMFYSA-N 2 2 340.427 1.698 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCc2cn3ccccc3[nH+]2)[N@H+](C)C1 ZINC000345866830 143141252 /nfs/dbraw/zinc/14/12/52/143141252.db2.gz RBWRSLOJMKCVMM-CABCVRRESA-N 2 2 331.420 1.195 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)NCc2cn3ccccc3[nH+]2)[N@@H+](C)C1 ZINC000345866830 143141253 /nfs/dbraw/zinc/14/12/53/143141253.db2.gz RBWRSLOJMKCVMM-CABCVRRESA-N 2 2 331.420 1.195 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCCC1 ZINC000346642052 143225259 /nfs/dbraw/zinc/22/52/59/143225259.db2.gz RYOWCLOPBOZHIR-FUHWJXTLSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(=O)[nH]1 ZINC000346791624 143246145 /nfs/dbraw/zinc/24/61/45/143246145.db2.gz JOCSVNIAOMLQIZ-GUYCJALGSA-N 2 2 327.432 1.886 20 0 EDADLP CSC1(CNC(=O)Cc2cn3ccccc3[nH+]2)CC[NH+](C)CC1 ZINC000346937364 143263633 /nfs/dbraw/zinc/26/36/33/143263633.db2.gz WFKKQRLZTRKOOZ-UHFFFAOYSA-N 2 2 332.473 1.820 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@](C)(F)C3)CC2)CC1 ZINC000347013094 143271435 /nfs/dbraw/zinc/27/14/35/143271435.db2.gz MMRVPKGEUFIBNP-KRWDZBQOSA-N 2 2 326.460 1.689 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC000347584132 143337560 /nfs/dbraw/zinc/33/75/60/143337560.db2.gz QPRXPDYUOSYLOX-XLIONFOSSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC000347584132 143337561 /nfs/dbraw/zinc/33/75/61/143337561.db2.gz QPRXPDYUOSYLOX-XLIONFOSSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000347679997 143348867 /nfs/dbraw/zinc/34/88/67/143348867.db2.gz IQMWQINVNBZENY-INIZCTEOSA-N 2 2 342.443 1.516 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cn1C ZINC000347687766 143349724 /nfs/dbraw/zinc/34/97/24/143349724.db2.gz UKNRRWOKWBCODG-UHFFFAOYSA-N 2 2 334.464 1.025 20 0 EDADLP C[C@H]1COCCN1CC[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000369707327 155143633 /nfs/dbraw/zinc/14/36/33/155143633.db2.gz RTCHGSISSMLYPR-KRWDZBQOSA-N 2 2 332.492 1.699 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000369707327 155143636 /nfs/dbraw/zinc/14/36/36/155143636.db2.gz RTCHGSISSMLYPR-KRWDZBQOSA-N 2 2 332.492 1.699 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cn(C(C)C)nc3C)CC2)C1 ZINC000369711722 155145396 /nfs/dbraw/zinc/14/53/96/155145396.db2.gz FZGRCKMKTPURJM-LJQANCHMSA-N 2 2 349.523 1.611 20 0 EDADLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cn(C(C)C)nc3C)CC2)C1 ZINC000369711722 155145398 /nfs/dbraw/zinc/14/53/98/155145398.db2.gz FZGRCKMKTPURJM-LJQANCHMSA-N 2 2 349.523 1.611 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369765292 155167869 /nfs/dbraw/zinc/16/78/69/155167869.db2.gz FIOITFZTVHDERS-ROUUACIJSA-N 2 2 338.540 1.641 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369765292 155167871 /nfs/dbraw/zinc/16/78/71/155167871.db2.gz FIOITFZTVHDERS-ROUUACIJSA-N 2 2 338.540 1.641 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000369873987 155212730 /nfs/dbraw/zinc/21/27/30/155212730.db2.gz WFRDCTMIGWHYEN-INIZCTEOSA-N 2 2 327.432 1.836 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000369873987 155212732 /nfs/dbraw/zinc/21/27/32/155212732.db2.gz WFRDCTMIGWHYEN-INIZCTEOSA-N 2 2 327.432 1.836 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369873589 155213496 /nfs/dbraw/zinc/21/34/96/155213496.db2.gz PBPFYQZUBGLIMU-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000369873589 155213497 /nfs/dbraw/zinc/21/34/97/155213497.db2.gz PBPFYQZUBGLIMU-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247162938 286067115 /nfs/dbraw/zinc/06/71/15/286067115.db2.gz SSRURQRCDFTRBZ-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247162938 286067118 /nfs/dbraw/zinc/06/71/18/286067118.db2.gz SSRURQRCDFTRBZ-IAGOWNOFSA-N 2 2 325.497 1.868 20 0 EDADLP CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000369906012 155226292 /nfs/dbraw/zinc/22/62/92/155226292.db2.gz KEPFRUNOYAPZDY-GOEBONIOSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000369906012 155226296 /nfs/dbraw/zinc/22/62/96/155226296.db2.gz KEPFRUNOYAPZDY-GOEBONIOSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000369906012 155226297 /nfs/dbraw/zinc/22/62/97/155226297.db2.gz KEPFRUNOYAPZDY-GOEBONIOSA-N 2 2 332.448 1.284 20 0 EDADLP CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000369906012 155226299 /nfs/dbraw/zinc/22/62/99/155226299.db2.gz KEPFRUNOYAPZDY-GOEBONIOSA-N 2 2 332.448 1.284 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416900905 304354661 /nfs/dbraw/zinc/35/46/61/304354661.db2.gz AWTMNUDCVPKGNW-SWLSCSKDSA-N 2 2 331.420 1.425 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000353318300 149363248 /nfs/dbraw/zinc/36/32/48/149363248.db2.gz ZBYDHFFWZSRBQN-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000353318300 149363251 /nfs/dbraw/zinc/36/32/51/149363251.db2.gz ZBYDHFFWZSRBQN-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000354870314 150003350 /nfs/dbraw/zinc/00/33/50/150003350.db2.gz UAQCINJYUJYRIG-DLBZAZTESA-N 2 2 341.496 1.103 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC[NH2+]1 ZINC000416984702 304361583 /nfs/dbraw/zinc/36/15/83/304361583.db2.gz KMSKMTOPGDVTOV-OAHLLOKOSA-N 2 2 331.464 1.965 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000355601058 150332078 /nfs/dbraw/zinc/33/20/78/150332078.db2.gz VGSSXOJTGSKUBE-CYBMUJFWSA-N 2 2 331.420 1.972 20 0 EDADLP O=C(N1CCC([NH+]2CCCCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000355609998 150334849 /nfs/dbraw/zinc/33/48/49/150334849.db2.gz CHYITUQUOCVFFU-UHFFFAOYSA-N 2 2 335.492 1.718 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000355699624 150364385 /nfs/dbraw/zinc/36/43/85/150364385.db2.gz FNCJHLSANKLRTA-UHFFFAOYSA-N 2 2 339.399 1.911 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000357349116 151004456 /nfs/dbraw/zinc/00/44/56/151004456.db2.gz AFRUTVKVUHOTBK-HZPDHXFCSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000357407940 151022787 /nfs/dbraw/zinc/02/27/87/151022787.db2.gz FXQKECVMXMPULD-YJBOKZPZSA-N 2 2 331.460 1.731 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)CCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000357410376 151023302 /nfs/dbraw/zinc/02/33/02/151023302.db2.gz SZWWSOLOVFUNDC-INIZCTEOSA-N 2 2 344.459 1.962 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)CCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000357410376 151023304 /nfs/dbraw/zinc/02/33/04/151023304.db2.gz SZWWSOLOVFUNDC-INIZCTEOSA-N 2 2 344.459 1.962 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000357503225 151050021 /nfs/dbraw/zinc/05/00/21/151050021.db2.gz SZHYJFSURXTFJQ-DLBZAZTESA-N 2 2 337.508 1.724 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000357503225 151050024 /nfs/dbraw/zinc/05/00/24/151050024.db2.gz SZHYJFSURXTFJQ-DLBZAZTESA-N 2 2 337.508 1.724 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000357503225 151050026 /nfs/dbraw/zinc/05/00/26/151050026.db2.gz SZHYJFSURXTFJQ-DLBZAZTESA-N 2 2 337.508 1.724 20 0 EDADLP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000357503225 151050027 /nfs/dbraw/zinc/05/00/27/151050027.db2.gz SZHYJFSURXTFJQ-DLBZAZTESA-N 2 2 337.508 1.724 20 0 EDADLP C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000357605942 151082614 /nfs/dbraw/zinc/08/26/14/151082614.db2.gz YWGIIBJRYYAWMB-HOTGVXAUSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000357625632 151089537 /nfs/dbraw/zinc/08/95/37/151089537.db2.gz IJBWGZFEEVLXGZ-WMLDXEAASA-N 2 2 340.439 1.342 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000357625632 151089539 /nfs/dbraw/zinc/08/95/39/151089539.db2.gz IJBWGZFEEVLXGZ-WMLDXEAASA-N 2 2 340.439 1.342 20 0 EDADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651444 151102124 /nfs/dbraw/zinc/10/21/24/151102124.db2.gz SUDLYBZHHYZUIC-INIZCTEOSA-N 2 2 345.487 1.743 20 0 EDADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651444 151102127 /nfs/dbraw/zinc/10/21/27/151102127.db2.gz SUDLYBZHHYZUIC-INIZCTEOSA-N 2 2 345.487 1.743 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000357702252 151120735 /nfs/dbraw/zinc/12/07/35/151120735.db2.gz IGKUISQYXGYPCP-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000357702252 151120736 /nfs/dbraw/zinc/12/07/36/151120736.db2.gz IGKUISQYXGYPCP-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000357702252 151120739 /nfs/dbraw/zinc/12/07/39/151120739.db2.gz IGKUISQYXGYPCP-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP COCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000357702252 151120741 /nfs/dbraw/zinc/12/07/41/151120741.db2.gz IGKUISQYXGYPCP-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357724101 151126309 /nfs/dbraw/zinc/12/63/09/151126309.db2.gz YBVNRQDEFBSPBC-JKSUJKDBSA-N 2 2 339.524 1.943 20 0 EDADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357724101 151126311 /nfs/dbraw/zinc/12/63/11/151126311.db2.gz YBVNRQDEFBSPBC-JKSUJKDBSA-N 2 2 339.524 1.943 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCC(=O)c1ccccc1 ZINC000358039246 151243881 /nfs/dbraw/zinc/24/38/81/151243881.db2.gz USBXOSQRDXOPSA-MRXNPFEDSA-N 2 2 340.427 1.978 20 0 EDADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCC(=O)c1ccccc1 ZINC000358039246 151243883 /nfs/dbraw/zinc/24/38/83/151243883.db2.gz USBXOSQRDXOPSA-MRXNPFEDSA-N 2 2 340.427 1.978 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000358153610 151289485 /nfs/dbraw/zinc/28/94/85/151289485.db2.gz DJKMBGSCSPDWKB-INIZCTEOSA-N 2 2 333.480 1.638 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000358153610 151289487 /nfs/dbraw/zinc/28/94/87/151289487.db2.gz DJKMBGSCSPDWKB-INIZCTEOSA-N 2 2 333.480 1.638 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000358167900 151293606 /nfs/dbraw/zinc/29/36/06/151293606.db2.gz ZAOQIJMICXXJBI-UXPWSPDFSA-N 2 2 344.503 1.745 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000358167900 151293609 /nfs/dbraw/zinc/29/36/09/151293609.db2.gz ZAOQIJMICXXJBI-UXPWSPDFSA-N 2 2 344.503 1.745 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCOC[C@@H]2C)[NH+](C)C)cc1 ZINC000356181390 292252545 /nfs/dbraw/zinc/25/25/45/292252545.db2.gz QHMKMIYEOMFFNG-WMZOPIPTSA-N 2 2 348.491 1.618 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)[NH+](C)C)cc1 ZINC000356181390 292252548 /nfs/dbraw/zinc/25/25/48/292252548.db2.gz QHMKMIYEOMFFNG-WMZOPIPTSA-N 2 2 348.491 1.618 20 0 EDADLP COCCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000360874183 152237384 /nfs/dbraw/zinc/23/73/84/152237384.db2.gz RSNNITUSGVUNQD-OAHLLOKOSA-N 2 2 338.496 1.271 20 0 EDADLP COCCC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000360874183 152237386 /nfs/dbraw/zinc/23/73/86/152237386.db2.gz RSNNITUSGVUNQD-OAHLLOKOSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1nn(C)c(C)c1CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360882480 152240652 /nfs/dbraw/zinc/24/06/52/152240652.db2.gz HNKOOLGVWAPBOX-UHFFFAOYSA-N 2 2 335.496 1.112 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCc3c([nH+]cn3C)C2)C[C@H](C)O1 ZINC000360973569 152267027 /nfs/dbraw/zinc/26/70/27/152267027.db2.gz UUTIZPRTTUCFER-OKILXGFUSA-N 2 2 349.479 1.376 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCc3c([nH+]cn3C)C2)C[C@H](C)O1 ZINC000360973569 152267029 /nfs/dbraw/zinc/26/70/29/152267029.db2.gz UUTIZPRTTUCFER-OKILXGFUSA-N 2 2 349.479 1.376 20 0 EDADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NC(=O)NC1CC1 ZINC000361046739 152289682 /nfs/dbraw/zinc/28/96/82/152289682.db2.gz RGQQQLHXWFAJKW-UHFFFAOYSA-N 2 2 333.436 1.364 20 0 EDADLP C[C@@H]1CN(Cc2cn(C)nc2C(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000361144972 152319641 /nfs/dbraw/zinc/31/96/41/152319641.db2.gz MYKRFLXWVYGECH-CYBMUJFWSA-N 2 2 341.450 1.958 20 0 EDADLP C[C@@H]1CN(Cc2cn(C)nc2C(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000361144972 152319643 /nfs/dbraw/zinc/31/96/43/152319643.db2.gz MYKRFLXWVYGECH-CYBMUJFWSA-N 2 2 341.450 1.958 20 0 EDADLP CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000361419678 152388906 /nfs/dbraw/zinc/38/89/06/152388906.db2.gz GKOUKTMWLIOZOG-KRWDZBQOSA-N 2 2 331.460 1.176 20 0 EDADLP CC1(C)[C@@H](O)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000361419678 152388909 /nfs/dbraw/zinc/38/89/09/152388909.db2.gz GKOUKTMWLIOZOG-KRWDZBQOSA-N 2 2 331.460 1.176 20 0 EDADLP CC(C)n1nnnc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363807606 153062669 /nfs/dbraw/zinc/06/26/69/153062669.db2.gz XISPEBJKQCOOGX-UHFFFAOYSA-N 2 2 335.500 1.104 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(CC[NH2+]CN3CCC(=O)CC3)CC2)CC1 ZINC000363926602 153098872 /nfs/dbraw/zinc/09/88/72/153098872.db2.gz JTWOFMWTVWSHFT-UHFFFAOYSA-N 3 2 336.524 1.395 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000363993111 153117534 /nfs/dbraw/zinc/11/75/34/153117534.db2.gz BSAPOKUKAPAYRT-HNNXBMFYSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000363993111 153117536 /nfs/dbraw/zinc/11/75/36/153117536.db2.gz BSAPOKUKAPAYRT-HNNXBMFYSA-N 2 2 331.464 1.766 20 0 EDADLP CCCCNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364036626 153128704 /nfs/dbraw/zinc/12/87/04/153128704.db2.gz SOPHTLMRAUKMHG-UHFFFAOYSA-N 2 2 332.492 1.937 20 0 EDADLP CCCCNC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364036626 153128707 /nfs/dbraw/zinc/12/87/07/153128707.db2.gz SOPHTLMRAUKMHG-UHFFFAOYSA-N 2 2 332.492 1.937 20 0 EDADLP O=C1NCC[N@H+](CCCn2cc[nH+]c2)[C@H]1Cc1nc2ccccc2o1 ZINC000364040537 153129902 /nfs/dbraw/zinc/12/99/02/153129902.db2.gz PJVBXGDIBARJQW-HNNXBMFYSA-N 2 2 339.399 1.458 20 0 EDADLP O=C1NCC[N@@H+](CCCn2cc[nH+]c2)[C@H]1Cc1nc2ccccc2o1 ZINC000364040537 153129909 /nfs/dbraw/zinc/12/99/09/153129909.db2.gz PJVBXGDIBARJQW-HNNXBMFYSA-N 2 2 339.399 1.458 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000364216056 153176803 /nfs/dbraw/zinc/17/68/03/153176803.db2.gz AFJPSVXRFAXDSH-UYAOXDASSA-N 2 2 343.471 1.729 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC(=O)N2CCC2)[C@@H]1c1cnn(C)c1 ZINC000364701866 153309180 /nfs/dbraw/zinc/30/91/80/153309180.db2.gz CJWGUUARUKNQKD-MAUKXSAKSA-N 2 2 333.480 1.357 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC(=O)N2CCC2)[C@@H]1c1cnn(C)c1 ZINC000364701866 153309184 /nfs/dbraw/zinc/30/91/84/153309184.db2.gz CJWGUUARUKNQKD-MAUKXSAKSA-N 2 2 333.480 1.357 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC(=O)N2CCC2)[C@@H]1c1cnn(C)c1 ZINC000364701866 153309186 /nfs/dbraw/zinc/30/91/86/153309186.db2.gz CJWGUUARUKNQKD-MAUKXSAKSA-N 2 2 333.480 1.357 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(=O)N2CCC2)[C@@H]1c1cnn(C)c1 ZINC000364701866 153309188 /nfs/dbraw/zinc/30/91/88/153309188.db2.gz CJWGUUARUKNQKD-MAUKXSAKSA-N 2 2 333.480 1.357 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n(C)n1 ZINC000364726021 153315048 /nfs/dbraw/zinc/31/50/48/153315048.db2.gz HUOBGFURZCVBFA-OAHLLOKOSA-N 2 2 342.447 1.804 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n(C)n1 ZINC000364726021 153315051 /nfs/dbraw/zinc/31/50/51/153315051.db2.gz HUOBGFURZCVBFA-OAHLLOKOSA-N 2 2 342.447 1.804 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)NC3CC3)[C@H](C)C2)s1 ZINC000364893991 153363243 /nfs/dbraw/zinc/36/32/43/153363243.db2.gz JFOAZGISDULXRH-WQGACYEGSA-N 2 2 336.505 1.919 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)NC3CC3)[C@H](C)C2)s1 ZINC000364893991 153363244 /nfs/dbraw/zinc/36/32/44/153363244.db2.gz JFOAZGISDULXRH-WQGACYEGSA-N 2 2 336.505 1.919 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000365006241 153396624 /nfs/dbraw/zinc/39/66/24/153396624.db2.gz VHDRQSYKNQQPLP-MRXNPFEDSA-N 2 2 346.475 1.549 20 0 EDADLP COC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(C[NH3+])CC1)[nH]c2=O ZINC000574400541 306649979 /nfs/dbraw/zinc/64/99/79/306649979.db2.gz VZPPTLXWLBNGML-UHFFFAOYSA-N 2 2 330.388 1.293 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000367136027 154019085 /nfs/dbraw/zinc/01/90/85/154019085.db2.gz STCACJNEXUXPHR-MRXNPFEDSA-N 2 2 334.383 1.449 20 0 EDADLP O=C1CC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C2(CCC2)N1 ZINC000367246810 154053999 /nfs/dbraw/zinc/05/39/99/154053999.db2.gz PCWRONDQKDJTKZ-KRWDZBQOSA-N 2 2 328.460 1.837 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367654672 154216498 /nfs/dbraw/zinc/21/64/98/154216498.db2.gz AYZKMXXLLNLVRD-XYJFISCASA-N 2 2 338.540 1.780 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367654672 154216501 /nfs/dbraw/zinc/21/65/01/154216501.db2.gz AYZKMXXLLNLVRD-XYJFISCASA-N 2 2 338.540 1.780 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000367728356 154246612 /nfs/dbraw/zinc/24/66/12/154246612.db2.gz LIGXCCQIAYMWNE-CRAIPNDOSA-N 2 2 331.460 1.683 20 0 EDADLP Cc1[nH+]c2n(c1CN1CC[NH+]([C@H](C)C(=O)NC3CC3)CC1)CCCC2 ZINC000367885656 154311984 /nfs/dbraw/zinc/31/19/84/154311984.db2.gz MMZJPFIQUVUUII-OAHLLOKOSA-N 2 2 345.491 1.313 20 0 EDADLP CC(C)[C@](C)(CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367905553 154319347 /nfs/dbraw/zinc/31/93/47/154319347.db2.gz AGSHVGZQQVPCOS-SFHVURJKSA-N 2 2 340.512 1.251 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)CC2)cc[nH+]1 ZINC000367956046 154342714 /nfs/dbraw/zinc/34/27/14/154342714.db2.gz LWJGAAJGGCXIDJ-SFHVURJKSA-N 2 2 349.454 1.646 20 0 EDADLP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)C2)CC1 ZINC000368009149 154366239 /nfs/dbraw/zinc/36/62/39/154366239.db2.gz WQGONZYVIOXJSG-SJLPKXTDSA-N 2 2 340.475 1.652 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)C1 ZINC000369378651 155003938 /nfs/dbraw/zinc/00/39/38/155003938.db2.gz UOASIMMADMJTJP-KRWDZBQOSA-N 2 2 345.491 1.505 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)C1 ZINC000369378651 155003940 /nfs/dbraw/zinc/00/39/40/155003940.db2.gz UOASIMMADMJTJP-KRWDZBQOSA-N 2 2 345.491 1.505 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C2 ZINC000369580104 155097785 /nfs/dbraw/zinc/09/77/85/155097785.db2.gz PYGZKTRJIFVONI-ZNMIVQPWSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C2 ZINC000369580104 155097790 /nfs/dbraw/zinc/09/77/90/155097790.db2.gz PYGZKTRJIFVONI-ZNMIVQPWSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)CC2 ZINC000369580104 155097793 /nfs/dbraw/zinc/09/77/93/155097793.db2.gz PYGZKTRJIFVONI-ZNMIVQPWSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)CC2 ZINC000369580104 155097795 /nfs/dbraw/zinc/09/77/95/155097795.db2.gz PYGZKTRJIFVONI-ZNMIVQPWSA-N 2 2 348.491 1.552 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000369639293 155118532 /nfs/dbraw/zinc/11/85/32/155118532.db2.gz ODKFMIRHQRRTTI-MRXNPFEDSA-N 2 2 333.480 1.867 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3nccc(C)n3)CC2)CC1 ZINC000371835100 156130888 /nfs/dbraw/zinc/13/08/88/156130888.db2.gz QEFGKZNJXHIREP-MRXNPFEDSA-N 2 2 345.491 1.517 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371905437 156160376 /nfs/dbraw/zinc/16/03/76/156160376.db2.gz AXTBIXWNLQHDMO-HNNXBMFYSA-N 2 2 335.452 1.410 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371905437 156160381 /nfs/dbraw/zinc/16/03/81/156160381.db2.gz AXTBIXWNLQHDMO-HNNXBMFYSA-N 2 2 335.452 1.410 20 0 EDADLP C[C@H](O)C[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372232191 156280230 /nfs/dbraw/zinc/28/02/30/156280230.db2.gz GKPJTOWKHVVAIH-YQQAZPJKSA-N 2 2 338.496 1.100 20 0 EDADLP C[C@H](O)C[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372232191 156280234 /nfs/dbraw/zinc/28/02/34/156280234.db2.gz GKPJTOWKHVVAIH-YQQAZPJKSA-N 2 2 338.496 1.100 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)CCC2 ZINC000372252803 156288566 /nfs/dbraw/zinc/28/85/66/156288566.db2.gz XZXGVXODHLMQGN-HNNXBMFYSA-N 2 2 330.436 1.997 20 0 EDADLP COc1ccc(F)cc1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372253575 156289715 /nfs/dbraw/zinc/28/97/15/156289715.db2.gz GLFQBLFYLMTCSH-MRXNPFEDSA-N 2 2 349.450 1.662 20 0 EDADLP COc1ccc(F)cc1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372253575 156289721 /nfs/dbraw/zinc/28/97/21/156289721.db2.gz GLFQBLFYLMTCSH-MRXNPFEDSA-N 2 2 349.450 1.662 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](c3ccco3)C2)C1 ZINC000374000189 157099577 /nfs/dbraw/zinc/09/95/77/157099577.db2.gz AXKGQSXSJLUWHP-IRXDYDNUSA-N 2 2 349.475 1.542 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](c3ccco3)C2)C1 ZINC000374000189 157099582 /nfs/dbraw/zinc/09/95/82/157099582.db2.gz AXKGQSXSJLUWHP-IRXDYDNUSA-N 2 2 349.475 1.542 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](c3ccco3)C2)C1 ZINC000374000189 157099585 /nfs/dbraw/zinc/09/95/85/157099585.db2.gz AXKGQSXSJLUWHP-IRXDYDNUSA-N 2 2 349.475 1.542 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](c3ccco3)C2)C1 ZINC000374000189 157099589 /nfs/dbraw/zinc/09/95/89/157099589.db2.gz AXKGQSXSJLUWHP-IRXDYDNUSA-N 2 2 349.475 1.542 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccncc1 ZINC000374260949 157218294 /nfs/dbraw/zinc/21/82/94/157218294.db2.gz ZWDFQHQXQFYQHV-HOTGVXAUSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccncc1 ZINC000374260949 157218295 /nfs/dbraw/zinc/21/82/95/157218295.db2.gz ZWDFQHQXQFYQHV-HOTGVXAUSA-N 2 2 345.491 1.953 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000374351463 157256282 /nfs/dbraw/zinc/25/62/82/157256282.db2.gz MKKOFXGOXWVGNC-GOSISDBHSA-N 2 2 346.475 1.537 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000374351463 157256284 /nfs/dbraw/zinc/25/62/84/157256284.db2.gz MKKOFXGOXWVGNC-GOSISDBHSA-N 2 2 346.475 1.537 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000374423516 157286395 /nfs/dbraw/zinc/28/63/95/157286395.db2.gz WHQBDXHRHLVIRA-KBAYOESNSA-N 2 2 347.459 1.817 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000374423516 157286397 /nfs/dbraw/zinc/28/63/97/157286397.db2.gz WHQBDXHRHLVIRA-KBAYOESNSA-N 2 2 347.459 1.817 20 0 EDADLP O=C1[C@H]([NH2+][C@@H]2CCc3ccccc32)CCCN1CC[NH+]1CCOCC1 ZINC000374743405 157384189 /nfs/dbraw/zinc/38/41/89/157384189.db2.gz MZJBMTUSIMXOKV-RTBURBONSA-N 2 2 343.471 1.587 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000377856052 158012290 /nfs/dbraw/zinc/01/22/90/158012290.db2.gz ODDVJEBHBDUXNE-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000377856052 158012293 /nfs/dbraw/zinc/01/22/93/158012293.db2.gz ODDVJEBHBDUXNE-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000377856052 158012295 /nfs/dbraw/zinc/01/22/95/158012295.db2.gz ODDVJEBHBDUXNE-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000377856052 158012298 /nfs/dbraw/zinc/01/22/98/158012298.db2.gz ODDVJEBHBDUXNE-LJQANCHMSA-N 2 2 344.503 1.405 20 0 EDADLP CC[C@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CC[NH2+]C1 ZINC000378228877 158116289 /nfs/dbraw/zinc/11/62/89/158116289.db2.gz YEQODXIQCQQEPZ-KSSFIOAISA-N 2 2 332.448 1.313 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4c[nH]cn4)CC3)cn2)CC1 ZINC000378339708 158146153 /nfs/dbraw/zinc/14/61/53/158146153.db2.gz FOPGFBYVHHKVEE-UHFFFAOYSA-N 2 2 341.463 1.331 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cn2)CC1 ZINC000378339708 158146155 /nfs/dbraw/zinc/14/61/55/158146155.db2.gz FOPGFBYVHHKVEE-UHFFFAOYSA-N 3 2 341.463 1.331 20 0 EDADLP C[C@@H]1CN(C(=O)COc2ccccc2O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378366103 158153665 /nfs/dbraw/zinc/15/36/65/158153665.db2.gz ASWLUEVEHGYLJV-OAHLLOKOSA-N 2 2 347.459 1.398 20 0 EDADLP C[C@@H]1CN(C(=O)COc2ccccc2O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378366103 158153667 /nfs/dbraw/zinc/15/36/67/158153667.db2.gz ASWLUEVEHGYLJV-OAHLLOKOSA-N 2 2 347.459 1.398 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368843 158155742 /nfs/dbraw/zinc/15/57/42/158155742.db2.gz IHDIRENNRIFNNL-CYBMUJFWSA-N 2 2 338.883 1.919 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368843 158155743 /nfs/dbraw/zinc/15/57/43/158155743.db2.gz IHDIRENNRIFNNL-CYBMUJFWSA-N 2 2 338.883 1.919 20 0 EDADLP CC(=O)Oc1ccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)cc1 ZINC000378594221 158216503 /nfs/dbraw/zinc/21/65/03/158216503.db2.gz NDUGMDKYGKWDBG-UHFFFAOYSA-N 2 2 345.443 1.350 20 0 EDADLP CC(=O)Oc1ccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)cc1 ZINC000378594221 158216505 /nfs/dbraw/zinc/21/65/05/158216505.db2.gz NDUGMDKYGKWDBG-UHFFFAOYSA-N 2 2 345.443 1.350 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000378613349 158219555 /nfs/dbraw/zinc/21/95/55/158219555.db2.gz XWDWZXSUSCKIGQ-RHSMWYFYSA-N 2 2 334.464 1.259 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000378613349 158219558 /nfs/dbraw/zinc/21/95/58/158219558.db2.gz XWDWZXSUSCKIGQ-RHSMWYFYSA-N 2 2 334.464 1.259 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000378613348 158219716 /nfs/dbraw/zinc/21/97/16/158219716.db2.gz XWDWZXSUSCKIGQ-PBHICJAKSA-N 2 2 334.464 1.259 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000378613348 158219718 /nfs/dbraw/zinc/21/97/18/158219718.db2.gz XWDWZXSUSCKIGQ-PBHICJAKSA-N 2 2 334.464 1.259 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C[C@@H](C)O ZINC000352200387 162045443 /nfs/dbraw/zinc/04/54/43/162045443.db2.gz AHRKDQKYVULLDL-QGZVFWFLSA-N 2 2 333.476 1.342 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C[C@@H](C)O ZINC000352200387 162045444 /nfs/dbraw/zinc/04/54/44/162045444.db2.gz AHRKDQKYVULLDL-QGZVFWFLSA-N 2 2 333.476 1.342 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000352364176 162142465 /nfs/dbraw/zinc/14/24/65/162142465.db2.gz AWFHGVCWONXVHB-UHFFFAOYSA-N 2 2 336.465 1.812 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000352364176 162142470 /nfs/dbraw/zinc/14/24/70/162142470.db2.gz AWFHGVCWONXVHB-UHFFFAOYSA-N 2 2 336.465 1.812 20 0 EDADLP CC(C)CNC(=O)c1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352504447 162217874 /nfs/dbraw/zinc/21/78/74/162217874.db2.gz QPIVMXBBAWPUFJ-IBGZPJMESA-N 2 2 344.503 1.552 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352509419 162220210 /nfs/dbraw/zinc/22/02/10/162220210.db2.gz KFDIIGNRJQGYCQ-JZXOWHBKSA-N 2 2 330.476 1.232 20 0 EDADLP CC(C)(C)OC1CC([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000352557403 162251104 /nfs/dbraw/zinc/25/11/04/162251104.db2.gz NOOBPUVHEGRJNG-UHFFFAOYSA-N 2 2 347.507 1.924 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000357318880 162284041 /nfs/dbraw/zinc/28/40/41/162284041.db2.gz WWZWBURNFNQRCW-LEUOFYLZSA-N 2 2 346.475 1.402 20 0 EDADLP C[C@H](NC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000357318880 162284044 /nfs/dbraw/zinc/28/40/44/162284044.db2.gz WWZWBURNFNQRCW-LEUOFYLZSA-N 2 2 346.475 1.402 20 0 EDADLP COc1ncccc1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364231638 162321461 /nfs/dbraw/zinc/32/14/61/162321461.db2.gz OGZBHFBANLXHIZ-CYBMUJFWSA-N 2 2 333.436 1.380 20 0 EDADLP COc1ncccc1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364231638 162321466 /nfs/dbraw/zinc/32/14/66/162321466.db2.gz OGZBHFBANLXHIZ-CYBMUJFWSA-N 2 2 333.436 1.380 20 0 EDADLP COc1cc[nH+]c(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1OC ZINC000364515921 162334501 /nfs/dbraw/zinc/33/45/01/162334501.db2.gz FDEOCKWUAQKTBS-GJZGRUSLSA-N 2 2 335.448 1.520 20 0 EDADLP COc1cc[nH+]c(CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1OC ZINC000364515921 162334506 /nfs/dbraw/zinc/33/45/06/162334506.db2.gz FDEOCKWUAQKTBS-GJZGRUSLSA-N 2 2 335.448 1.520 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCOc2cccc(C)c2)CC1 ZINC000070870231 287253107 /nfs/dbraw/zinc/25/31/07/287253107.db2.gz AMXJRMLENVTYOB-QGZVFWFLSA-N 2 2 333.476 1.858 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOc2cccc(C)c2)CC1 ZINC000070870231 287253108 /nfs/dbraw/zinc/25/31/08/287253108.db2.gz AMXJRMLENVTYOB-QGZVFWFLSA-N 2 2 333.476 1.858 20 0 EDADLP CSC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074326953 287269901 /nfs/dbraw/zinc/26/99/01/287269901.db2.gz XFEORBSUKKMDFR-HNNXBMFYSA-N 2 2 342.553 1.987 20 0 EDADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC(=O)NCc1ccco1 ZINC000075860055 287279431 /nfs/dbraw/zinc/27/94/31/287279431.db2.gz IWUWRJQIISSYDI-CQSZACIVSA-N 2 2 336.436 1.412 20 0 EDADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC(=O)NCc1ccco1 ZINC000075860055 287279433 /nfs/dbraw/zinc/27/94/33/287279433.db2.gz IWUWRJQIISSYDI-CQSZACIVSA-N 2 2 336.436 1.412 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC(=O)NCc1ccco1 ZINC000075860055 287279434 /nfs/dbraw/zinc/27/94/34/287279434.db2.gz IWUWRJQIISSYDI-CQSZACIVSA-N 2 2 336.436 1.412 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC(=O)NCc1ccco1 ZINC000075860055 287279435 /nfs/dbraw/zinc/27/94/35/287279435.db2.gz IWUWRJQIISSYDI-CQSZACIVSA-N 2 2 336.436 1.412 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000369942866 287349451 /nfs/dbraw/zinc/34/94/51/287349451.db2.gz HTNABSNUWNMIJB-QGZVFWFLSA-N 2 2 336.524 1.395 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000369942866 287349453 /nfs/dbraw/zinc/34/94/53/287349453.db2.gz HTNABSNUWNMIJB-QGZVFWFLSA-N 2 2 336.524 1.395 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000121220928 287369422 /nfs/dbraw/zinc/36/94/22/287369422.db2.gz VBYXTCOPNGNCDH-QXSJWSMHSA-N 2 2 326.485 1.124 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000121220928 287369423 /nfs/dbraw/zinc/36/94/23/287369423.db2.gz VBYXTCOPNGNCDH-QXSJWSMHSA-N 2 2 326.485 1.124 20 0 EDADLP COCC(C)(C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000122989062 222194942 /nfs/dbraw/zinc/19/49/42/222194942.db2.gz KWNHKSQUUDZAAQ-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000130289077 287489794 /nfs/dbraw/zinc/48/97/94/287489794.db2.gz HOXTVBSQNAWRFE-HNNXBMFYSA-N 2 2 347.459 1.348 20 0 EDADLP C[C@@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000132938144 287531968 /nfs/dbraw/zinc/53/19/68/287531968.db2.gz UGRFAXQPFMSYGK-GJZGRUSLSA-N 2 2 327.469 1.554 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268804854 273022231 /nfs/dbraw/zinc/02/22/31/273022231.db2.gz KMNDCSPZWLFRCO-QWFCFKBJSA-N 4 2 345.535 1.912 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268804854 273022232 /nfs/dbraw/zinc/02/22/32/273022232.db2.gz KMNDCSPZWLFRCO-QWFCFKBJSA-N 4 2 345.535 1.912 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274785400 268206199 /nfs/dbraw/zinc/20/61/99/268206199.db2.gz FTEFZYVLFWWELU-AWEZNQCLSA-N 2 2 332.452 1.041 20 0 EDADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000273152643 273030003 /nfs/dbraw/zinc/03/00/03/273030003.db2.gz IDACSFNHVLTMKZ-ICSRJNTNSA-N 2 2 347.503 1.415 20 0 EDADLP COc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1O ZINC000277276528 273186320 /nfs/dbraw/zinc/18/63/20/273186320.db2.gz SFYNWSNPYYKVSU-HOCLYGCPSA-N 2 2 349.475 1.651 20 0 EDADLP COc1ccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1O ZINC000277276528 273186321 /nfs/dbraw/zinc/18/63/21/273186321.db2.gz SFYNWSNPYYKVSU-HOCLYGCPSA-N 2 2 349.475 1.651 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000279439631 273297796 /nfs/dbraw/zinc/29/77/96/273297796.db2.gz JUCWVQWJUTXAKV-KRWDZBQOSA-N 2 2 348.491 1.481 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000279439631 273297797 /nfs/dbraw/zinc/29/77/97/273297797.db2.gz JUCWVQWJUTXAKV-KRWDZBQOSA-N 2 2 348.491 1.481 20 0 EDADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279592408 273309158 /nfs/dbraw/zinc/30/91/58/273309158.db2.gz VMKGFNFHBPCVCN-IBGZPJMESA-N 2 2 343.471 1.762 20 0 EDADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279592408 273309159 /nfs/dbraw/zinc/30/91/59/273309159.db2.gz VMKGFNFHBPCVCN-IBGZPJMESA-N 2 2 343.471 1.762 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000279650146 273314298 /nfs/dbraw/zinc/31/42/98/273314298.db2.gz BTBQNKBCKBQUCO-HZPDHXFCSA-N 2 2 339.867 1.957 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Cl)cc1 ZINC000279650146 273314299 /nfs/dbraw/zinc/31/42/99/273314299.db2.gz BTBQNKBCKBQUCO-HZPDHXFCSA-N 2 2 339.867 1.957 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279737517 273321663 /nfs/dbraw/zinc/32/16/63/273321663.db2.gz OLNWXVGFEBRCKL-MRXNPFEDSA-N 2 2 330.432 1.161 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279737517 273321664 /nfs/dbraw/zinc/32/16/64/273321664.db2.gz OLNWXVGFEBRCKL-MRXNPFEDSA-N 2 2 330.432 1.161 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](CC(F)F)CC1)c1ccco1 ZINC000280707744 273388400 /nfs/dbraw/zinc/38/84/00/273388400.db2.gz GEVWJQKXAGDZSH-CYBMUJFWSA-N 2 2 329.391 1.976 20 0 EDADLP O=c1nc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)[nH][nH]1 ZINC000280925671 273415880 /nfs/dbraw/zinc/41/58/80/273415880.db2.gz GTENUHKYUHWWFN-UHFFFAOYSA-N 2 2 325.376 1.058 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3cc(F)ccc32)CC1 ZINC000283665781 273921760 /nfs/dbraw/zinc/92/17/60/273921760.db2.gz PBOQDSNVDYAJRJ-UHFFFAOYSA-N 2 2 334.439 1.924 20 0 EDADLP OCCO[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284131427 274090732 /nfs/dbraw/zinc/09/07/32/274090732.db2.gz OFKXSGPYTFQMES-VQTJNVASSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284131427 274090734 /nfs/dbraw/zinc/09/07/34/274090734.db2.gz OFKXSGPYTFQMES-VQTJNVASSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284131427 274090736 /nfs/dbraw/zinc/09/07/36/274090736.db2.gz OFKXSGPYTFQMES-VQTJNVASSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284131427 274090737 /nfs/dbraw/zinc/09/07/37/274090737.db2.gz OFKXSGPYTFQMES-VQTJNVASSA-N 2 2 348.487 1.751 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000284164934 274102299 /nfs/dbraw/zinc/10/22/99/274102299.db2.gz WRLBFSIIPCULFE-AWEZNQCLSA-N 2 2 347.463 1.106 20 0 EDADLP CN(C)S(=O)(=O)c1cccc2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000284924669 274389201 /nfs/dbraw/zinc/38/92/01/274389201.db2.gz VXVKMSRWNMBAFD-UHFFFAOYSA-N 2 2 348.472 1.582 20 0 EDADLP CN(C)S(=O)(=O)c1cccc2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000284924669 274389202 /nfs/dbraw/zinc/38/92/02/274389202.db2.gz VXVKMSRWNMBAFD-UHFFFAOYSA-N 2 2 348.472 1.582 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000247068828 287757366 /nfs/dbraw/zinc/75/73/66/287757366.db2.gz YCLGJTNNONNBAM-OWCLPIDISA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000246366788 276078383 /nfs/dbraw/zinc/07/83/83/276078383.db2.gz FWIQIGMGVPYYPG-NUJGCVRESA-N 2 2 333.476 1.905 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000246366788 276078384 /nfs/dbraw/zinc/07/83/84/276078384.db2.gz FWIQIGMGVPYYPG-NUJGCVRESA-N 2 2 333.476 1.905 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000422210689 276149501 /nfs/dbraw/zinc/14/95/01/276149501.db2.gz UAORLAWDDRWZER-BCDXTJNWSA-N 2 2 334.508 1.987 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000422210689 276149502 /nfs/dbraw/zinc/14/95/02/276149502.db2.gz UAORLAWDDRWZER-BCDXTJNWSA-N 2 2 334.508 1.987 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](O)c3ccccc3C2)CC1 ZINC000367931754 276191142 /nfs/dbraw/zinc/19/11/42/276191142.db2.gz PTMDLKAQRXCITQ-YJBOKZPZSA-N 2 2 331.460 1.478 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](O)c3ccccc3C2)CC1 ZINC000367931754 276191143 /nfs/dbraw/zinc/19/11/43/276191143.db2.gz PTMDLKAQRXCITQ-YJBOKZPZSA-N 2 2 331.460 1.478 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000355162977 277398703 /nfs/dbraw/zinc/39/87/03/277398703.db2.gz LTXCXEVDBVELFP-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000355162977 277398704 /nfs/dbraw/zinc/39/87/04/277398704.db2.gz LTXCXEVDBVELFP-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000355162977 277398705 /nfs/dbraw/zinc/39/87/05/277398705.db2.gz LTXCXEVDBVELFP-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000355162977 277398706 /nfs/dbraw/zinc/39/87/06/277398706.db2.gz LTXCXEVDBVELFP-ROUUACIJSA-N 2 2 337.508 1.724 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1nc(NCCO)[nH+]c(NC(C)C)n1 ZINC000286349427 287986994 /nfs/dbraw/zinc/98/69/94/287986994.db2.gz WLDYHMOVPWGDNS-UHFFFAOYSA-N 2 2 348.455 1.128 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000378512128 278116012 /nfs/dbraw/zinc/11/60/12/278116012.db2.gz ZBMRRFXPVCZFPO-HUUCEWRRSA-N 2 2 334.445 1.713 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 ZINC000261808921 278121760 /nfs/dbraw/zinc/12/17/60/278121760.db2.gz WNKHBDHWMRIMCV-SFHVURJKSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1 ZINC000261808921 278121761 /nfs/dbraw/zinc/12/17/61/278121761.db2.gz WNKHBDHWMRIMCV-SFHVURJKSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193627049 278153939 /nfs/dbraw/zinc/15/39/39/278153939.db2.gz LVRLWEHWZRBKJP-PNBKFKSVSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193627049 278153941 /nfs/dbraw/zinc/15/39/41/278153941.db2.gz LVRLWEHWZRBKJP-PNBKFKSVSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193627049 278153943 /nfs/dbraw/zinc/15/39/43/278153943.db2.gz LVRLWEHWZRBKJP-PNBKFKSVSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193627049 278153946 /nfs/dbraw/zinc/15/39/46/278153946.db2.gz LVRLWEHWZRBKJP-PNBKFKSVSA-N 2 2 329.444 1.508 20 0 EDADLP C[C@@H](C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1)[C@H](C)[NH3+] ZINC000493897809 278204287 /nfs/dbraw/zinc/20/42/87/278204287.db2.gz RICPFZUESBFGJK-OLZOCXBDSA-N 2 2 337.468 1.780 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000329591402 279160747 /nfs/dbraw/zinc/16/07/47/279160747.db2.gz UCXAUDLAOOJZBR-CVEARBPZSA-N 2 2 332.448 1.077 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000129592839 279307047 /nfs/dbraw/zinc/30/70/47/279307047.db2.gz PQQSNOVYCUBSLF-DLBZAZTESA-N 2 2 325.497 1.674 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000129592839 279307048 /nfs/dbraw/zinc/30/70/48/279307048.db2.gz PQQSNOVYCUBSLF-DLBZAZTESA-N 2 2 325.497 1.674 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000347740010 279380620 /nfs/dbraw/zinc/38/06/20/279380620.db2.gz PEFGYLPDOASDJY-MOPGFXCFSA-N 2 2 345.487 1.688 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000347740010 279380623 /nfs/dbraw/zinc/38/06/23/279380623.db2.gz PEFGYLPDOASDJY-MOPGFXCFSA-N 2 2 345.487 1.688 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347740010 279380626 /nfs/dbraw/zinc/38/06/26/279380626.db2.gz PEFGYLPDOASDJY-MOPGFXCFSA-N 2 2 345.487 1.688 20 0 EDADLP CC[NH+]1CCOC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347740010 279380628 /nfs/dbraw/zinc/38/06/28/279380628.db2.gz PEFGYLPDOASDJY-MOPGFXCFSA-N 2 2 345.487 1.688 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000286964632 288126958 /nfs/dbraw/zinc/12/69/58/288126958.db2.gz ACBDCJHDHPQFEH-GDBMZVCRSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332317415 288145542 /nfs/dbraw/zinc/14/55/42/288145542.db2.gz NVIJXXBEURBWAI-CQSZACIVSA-N 2 2 349.479 1.206 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000332317415 288145547 /nfs/dbraw/zinc/14/55/47/288145547.db2.gz NVIJXXBEURBWAI-CQSZACIVSA-N 2 2 349.479 1.206 20 0 EDADLP CC(C)[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000355082822 280013499 /nfs/dbraw/zinc/01/34/99/280013499.db2.gz IALOWKDBQLENAW-ROUUACIJSA-N 2 2 333.476 1.762 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000355082822 280013503 /nfs/dbraw/zinc/01/35/03/280013503.db2.gz IALOWKDBQLENAW-ROUUACIJSA-N 2 2 333.476 1.762 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333389682 281284988 /nfs/dbraw/zinc/28/49/88/281284988.db2.gz OORUBGNNVQLODI-INIZCTEOSA-N 2 2 338.496 1.128 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333389682 281284992 /nfs/dbraw/zinc/28/49/92/281284992.db2.gz OORUBGNNVQLODI-INIZCTEOSA-N 2 2 338.496 1.128 20 0 EDADLP Cc1nc(F)ccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000289380772 288686518 /nfs/dbraw/zinc/68/65/18/288686518.db2.gz BUSXIFQBXHAPLD-UHFFFAOYSA-N 2 2 334.439 1.515 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1ccnn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261921769 288717139 /nfs/dbraw/zinc/71/71/39/288717139.db2.gz YYNUOFSOBLEIDG-OAHLLOKOSA-N 2 2 342.447 1.421 20 0 EDADLP COCC[C@H]1COCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000291282849 289030760 /nfs/dbraw/zinc/03/07/60/289030760.db2.gz QNRXDLUTJXYJDR-ROUUACIJSA-N 2 2 349.475 1.143 20 0 EDADLP COCC[C@H]1COCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000291282849 289030761 /nfs/dbraw/zinc/03/07/61/289030761.db2.gz QNRXDLUTJXYJDR-ROUUACIJSA-N 2 2 349.475 1.143 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C[NH+](C)C ZINC000293141060 289532709 /nfs/dbraw/zinc/53/27/09/289532709.db2.gz JUOIOIFOGNDIEA-ZDUSSCGKSA-N 2 2 343.431 1.340 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COCCCOC)CC2)CC1 ZINC000422009522 447305989 /nfs/dbraw/zinc/30/59/89/447305989.db2.gz BFWZGQHFULOTCD-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP Cc1nn2c(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)c(C(C)C)nc2s1 ZINC000352695770 293803076 /nfs/dbraw/zinc/80/30/76/293803076.db2.gz XTJOVXYSEUINOG-CQSZACIVSA-N 2 2 348.520 1.702 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COCCCOC)CC2)CC1 ZINC000422009522 447305997 /nfs/dbraw/zinc/30/59/97/447305997.db2.gz BFWZGQHFULOTCD-UHFFFAOYSA-N 2 2 341.496 1.058 20 0 EDADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cn1 ZINC000134916583 294254746 /nfs/dbraw/zinc/25/47/46/294254746.db2.gz CTEGMQCGHGGNCW-OLMNPRSZSA-N 2 2 343.475 1.474 20 0 EDADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cn1 ZINC000134916583 294254749 /nfs/dbraw/zinc/25/47/49/294254749.db2.gz CTEGMQCGHGGNCW-OLMNPRSZSA-N 2 2 343.475 1.474 20 0 EDADLP Cn1cc(N2CC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cn1 ZINC000134916583 294254751 /nfs/dbraw/zinc/25/47/51/294254751.db2.gz CTEGMQCGHGGNCW-OLMNPRSZSA-N 2 2 343.475 1.474 20 0 EDADLP Cn1cc(N2CC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cn1 ZINC000134916583 294254754 /nfs/dbraw/zinc/25/47/54/294254754.db2.gz CTEGMQCGHGGNCW-OLMNPRSZSA-N 2 2 343.475 1.474 20 0 EDADLP [NH3+]CC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000237970690 295217492 /nfs/dbraw/zinc/21/74/92/295217492.db2.gz WWPSTKVFQSWPOH-CYBMUJFWSA-N 2 2 331.338 1.154 20 0 EDADLP COc1ccc([C@H](CNC(=O)/C=C\C[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000491639320 295241378 /nfs/dbraw/zinc/24/13/78/295241378.db2.gz IUBLJIYTAFSJGE-XDXAGZTOSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1CC(C)(C)O ZINC000188735371 300196420 /nfs/dbraw/zinc/19/64/20/300196420.db2.gz YZJSRBKYGJLMCY-HNNXBMFYSA-N 2 2 342.443 1.790 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1CC(C)(C)O ZINC000188735371 300196423 /nfs/dbraw/zinc/19/64/23/300196423.db2.gz YZJSRBKYGJLMCY-HNNXBMFYSA-N 2 2 342.443 1.790 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCO1 ZINC000459561223 300299391 /nfs/dbraw/zinc/29/93/91/300299391.db2.gz DKXUGCXWZKKOGQ-PKOBYXMFSA-N 2 2 347.503 1.848 20 0 EDADLP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCCC[N@H+]2CCO)CCO1 ZINC000459561223 300299394 /nfs/dbraw/zinc/29/93/94/300299394.db2.gz DKXUGCXWZKKOGQ-PKOBYXMFSA-N 2 2 347.503 1.848 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000377716017 447311251 /nfs/dbraw/zinc/31/12/51/447311251.db2.gz DTVXGDNBEWMSHA-AWEZNQCLSA-N 2 2 345.447 1.069 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000377716017 447311256 /nfs/dbraw/zinc/31/12/56/447311256.db2.gz DTVXGDNBEWMSHA-AWEZNQCLSA-N 2 2 345.447 1.069 20 0 EDADLP COc1cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1OC(F)F ZINC000653061416 453236513 /nfs/dbraw/zinc/23/65/13/453236513.db2.gz OUNUBVXVIFZLRW-NSHDSACASA-N 2 2 331.363 1.192 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000458779756 303003062 /nfs/dbraw/zinc/00/30/62/303003062.db2.gz UMOZLAXQUWFLOW-HUUCEWRRSA-N 2 2 335.452 1.017 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000458779756 303003063 /nfs/dbraw/zinc/00/30/63/303003063.db2.gz UMOZLAXQUWFLOW-HUUCEWRRSA-N 2 2 335.452 1.017 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000294270941 303085529 /nfs/dbraw/zinc/08/55/29/303085529.db2.gz SOYAJXVBDGFUQB-NVXWUHKLSA-N 2 2 342.443 1.926 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000294282373 303086513 /nfs/dbraw/zinc/08/65/13/303086513.db2.gz OYELGIPTKIHOQA-CQSZACIVSA-N 2 2 341.402 1.703 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000294282373 303086516 /nfs/dbraw/zinc/08/65/16/303086516.db2.gz OYELGIPTKIHOQA-CQSZACIVSA-N 2 2 341.402 1.703 20 0 EDADLP CCn1nc(C)c(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000295433231 303218447 /nfs/dbraw/zinc/21/84/47/303218447.db2.gz OVACAIPIWOXEGJ-UHFFFAOYSA-N 2 2 329.452 1.772 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000296482709 303319894 /nfs/dbraw/zinc/31/98/94/303319894.db2.gz QDAHXDWYCKGEBD-SFHVURJKSA-N 2 2 340.427 1.543 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000297380522 303392103 /nfs/dbraw/zinc/39/21/03/303392103.db2.gz MABFSWHPFKAUDR-UHFFFAOYSA-N 2 2 327.392 1.414 20 0 EDADLP Cc1cc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000377735408 447327742 /nfs/dbraw/zinc/32/77/42/447327742.db2.gz YERQRNNQWDYQKC-UHFFFAOYSA-N 2 2 343.475 2.161 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000304253191 303750866 /nfs/dbraw/zinc/75/08/66/303750866.db2.gz YKVFGTZQGLYWHB-GOSISDBHSA-N 2 2 342.443 1.695 20 0 EDADLP C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000493574306 447345040 /nfs/dbraw/zinc/34/50/40/447345040.db2.gz RZVMSPBOGZGJMY-WMZOPIPTSA-N 2 2 335.448 1.065 20 0 EDADLP CN(C)C(=O)COc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422687954 304878494 /nfs/dbraw/zinc/87/84/94/304878494.db2.gz CEYMCFLSNBBFNW-HKUYNNGSSA-N 2 2 347.459 1.010 20 0 EDADLP Cn1cc(-c2cccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)c2)cn1 ZINC000422966163 304881639 /nfs/dbraw/zinc/88/16/39/304881639.db2.gz QVGDVVZPJVYJDE-MOPGFXCFSA-N 2 2 326.444 1.944 20 0 EDADLP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423081024 304884675 /nfs/dbraw/zinc/88/46/75/304884675.db2.gz CFUAPSIOXSWZAJ-LEUOFYLZSA-N 2 2 334.464 1.337 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000428055176 305005851 /nfs/dbraw/zinc/00/58/51/305005851.db2.gz PZRUAKJJFGFPFW-IMJJTQAJSA-N 2 2 347.459 1.392 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1OC ZINC000428055176 305005852 /nfs/dbraw/zinc/00/58/52/305005852.db2.gz PZRUAKJJFGFPFW-IMJJTQAJSA-N 2 2 347.459 1.392 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000429636236 305033760 /nfs/dbraw/zinc/03/37/60/305033760.db2.gz SULCGVKQXLMGDN-UHFFFAOYSA-N 2 2 344.459 1.955 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000430589454 305057593 /nfs/dbraw/zinc/05/75/93/305057593.db2.gz ARIWPURZMLHVRM-OAHLLOKOSA-N 2 2 343.493 1.869 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000430589454 305057594 /nfs/dbraw/zinc/05/75/94/305057594.db2.gz ARIWPURZMLHVRM-OAHLLOKOSA-N 2 2 343.493 1.869 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCCc1ccc(OC(F)F)cc1)C1CC1 ZINC000430600841 305058027 /nfs/dbraw/zinc/05/80/27/305058027.db2.gz YWYWMUJISBMFGS-KRWDZBQOSA-N 2 2 341.402 1.664 20 0 EDADLP CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000430643300 305060877 /nfs/dbraw/zinc/06/08/77/305060877.db2.gz WZBCMHIUHSAVKH-CYBMUJFWSA-N 2 2 335.452 1.011 20 0 EDADLP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000430643300 305060878 /nfs/dbraw/zinc/06/08/78/305060878.db2.gz WZBCMHIUHSAVKH-CYBMUJFWSA-N 2 2 335.452 1.011 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430653990 305061338 /nfs/dbraw/zinc/06/13/38/305061338.db2.gz ZZKIPYZDZMUXDK-GJZGRUSLSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430653990 305061339 /nfs/dbraw/zinc/06/13/39/305061339.db2.gz ZZKIPYZDZMUXDK-GJZGRUSLSA-N 2 2 344.459 1.811 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[C@H]3CCC[NH2+]3)CCCCCC2)no1 ZINC000430692360 305062521 /nfs/dbraw/zinc/06/25/21/305062521.db2.gz ROUQLVKYEJPHFH-CQSZACIVSA-N 2 2 349.479 1.939 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC[N@@H+]1CCOC ZINC000430719961 305063254 /nfs/dbraw/zinc/06/32/54/305063254.db2.gz LJIBMLGWKVAMCW-PBHICJAKSA-N 2 2 335.448 1.264 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC[N@H+]1CCOC ZINC000430719961 305063255 /nfs/dbraw/zinc/06/32/55/305063255.db2.gz LJIBMLGWKVAMCW-PBHICJAKSA-N 2 2 335.448 1.264 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000430922677 305068334 /nfs/dbraw/zinc/06/83/34/305068334.db2.gz BXGMJFMWRRGABI-HIFRSBDPSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000430922677 305068335 /nfs/dbraw/zinc/06/83/35/305068335.db2.gz BXGMJFMWRRGABI-HIFRSBDPSA-N 2 2 332.448 1.386 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000430958063 305070892 /nfs/dbraw/zinc/07/08/92/305070892.db2.gz WIWPAPSUCNJTFI-FHIRATQRSA-N 2 2 349.475 1.939 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000430958063 305070893 /nfs/dbraw/zinc/07/08/93/305070893.db2.gz WIWPAPSUCNJTFI-FHIRATQRSA-N 2 2 349.475 1.939 20 0 EDADLP C[C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000431008255 305072616 /nfs/dbraw/zinc/07/26/16/305072616.db2.gz YMHFTUWZOLKNIQ-WMLDXEAASA-N 2 2 327.432 1.390 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)C1CC[NH2+]CC1 ZINC000431010801 305072688 /nfs/dbraw/zinc/07/26/88/305072688.db2.gz RPYYUXGESGJKHN-OAHLLOKOSA-N 2 2 333.480 1.090 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000433858163 305113960 /nfs/dbraw/zinc/11/39/60/305113960.db2.gz HTZVIROBKQWBDN-LSDHHAIUSA-N 2 2 339.505 1.851 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000433858163 305113961 /nfs/dbraw/zinc/11/39/61/305113961.db2.gz HTZVIROBKQWBDN-LSDHHAIUSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000434185109 305118513 /nfs/dbraw/zinc/11/85/13/305118513.db2.gz XBMRYGHGPTZSPW-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc3c2CCO3)CC1 ZINC000434220137 305119288 /nfs/dbraw/zinc/11/92/88/305119288.db2.gz IWXKDQXNOAGYAR-UHFFFAOYSA-N 2 2 332.448 1.769 20 0 EDADLP Cc1ncncc1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559973 305142405 /nfs/dbraw/zinc/14/24/05/305142405.db2.gz SIVUQOJMFOTXLP-OAHLLOKOSA-N 2 2 340.431 1.303 20 0 EDADLP C[N@H+](CC(=O)NCCCOC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435613075 305143362 /nfs/dbraw/zinc/14/33/62/305143362.db2.gz APNBOPAZSOSXIP-MRXNPFEDSA-N 2 2 325.497 1.916 20 0 EDADLP C[N@@H+](CC(=O)NCCCOC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435613075 305143363 /nfs/dbraw/zinc/14/33/63/305143363.db2.gz APNBOPAZSOSXIP-MRXNPFEDSA-N 2 2 325.497 1.916 20 0 EDADLP CCCc1noc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435696581 305145555 /nfs/dbraw/zinc/14/55/55/305145555.db2.gz QHBKLCJKQCTZBR-AWEZNQCLSA-N 2 2 344.463 1.900 20 0 EDADLP CC(C)[C@@H](C)NC(=O)CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695937 305145642 /nfs/dbraw/zinc/14/56/42/305145642.db2.gz OSTYGOGKQGJBIH-HZPDHXFCSA-N 2 2 347.507 1.525 20 0 EDADLP COCCC1(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CCCCC1 ZINC000436247403 305154801 /nfs/dbraw/zinc/15/48/01/305154801.db2.gz OQBJGXQDVWUUOB-MRXNPFEDSA-N 2 2 325.497 1.903 20 0 EDADLP COCCC1(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CCCCC1 ZINC000436247403 305154802 /nfs/dbraw/zinc/15/48/02/305154802.db2.gz OQBJGXQDVWUUOB-MRXNPFEDSA-N 2 2 325.497 1.903 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1O ZINC000436935530 305170175 /nfs/dbraw/zinc/17/01/75/305170175.db2.gz CTDOIKXTQPPVNF-HNNXBMFYSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1O ZINC000436935530 305170176 /nfs/dbraw/zinc/17/01/76/305170176.db2.gz CTDOIKXTQPPVNF-HNNXBMFYSA-N 2 2 331.460 1.941 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448260363 305294696 /nfs/dbraw/zinc/29/46/96/305294696.db2.gz LIUXXQGVRQSTCA-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448260363 305294697 /nfs/dbraw/zinc/29/46/97/305294697.db2.gz LIUXXQGVRQSTCA-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000449072005 305305614 /nfs/dbraw/zinc/30/56/14/305305614.db2.gz DGAYYHRITYEUNP-SFHVURJKSA-N 2 2 339.443 1.780 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H](C)[NH2+]C2CC2)[NH+]2CCOCC2)s1 ZINC000449141437 305307605 /nfs/dbraw/zinc/30/76/05/305307605.db2.gz LLBMBKQVJJAPJA-ZFWWWQNUSA-N 2 2 337.489 1.687 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)CCCC2)no1 ZINC000449341218 305311925 /nfs/dbraw/zinc/31/19/25/305311925.db2.gz YJGYFJNNIMFWFY-ZIAGYGMSSA-N 2 2 349.479 1.652 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C[C@H]1C ZINC000449883010 305321746 /nfs/dbraw/zinc/32/17/46/305321746.db2.gz KVPDYMZNJHGOCN-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C[C@H]1C ZINC000449883010 305321747 /nfs/dbraw/zinc/32/17/47/305321747.db2.gz KVPDYMZNJHGOCN-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC000449883010 305321748 /nfs/dbraw/zinc/32/17/48/305321748.db2.gz KVPDYMZNJHGOCN-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC000449883010 305321749 /nfs/dbraw/zinc/32/17/49/305321749.db2.gz KVPDYMZNJHGOCN-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP O[C@@]1(C(F)F)CC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451421391 305344787 /nfs/dbraw/zinc/34/47/87/305344787.db2.gz BNAFNULJUWYYKE-AEFFLSMTSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@@]1(C(F)F)CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000451421391 305344788 /nfs/dbraw/zinc/34/47/88/305344788.db2.gz BNAFNULJUWYYKE-AEFFLSMTSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@@]1(C(F)F)CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000451421391 305344789 /nfs/dbraw/zinc/34/47/89/305344789.db2.gz BNAFNULJUWYYKE-AEFFLSMTSA-N 2 2 340.414 1.979 20 0 EDADLP O[C@@]1(C(F)F)CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000451421391 305344790 /nfs/dbraw/zinc/34/47/90/305344790.db2.gz BNAFNULJUWYYKE-AEFFLSMTSA-N 2 2 340.414 1.979 20 0 EDADLP CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451627326 305357170 /nfs/dbraw/zinc/35/71/70/305357170.db2.gz CCYDXUJQYDESLL-HZPDHXFCSA-N 2 2 337.489 1.549 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)[C@H](C)O ZINC000422129199 447363457 /nfs/dbraw/zinc/36/34/57/447363457.db2.gz ILKRTXZEPTWQSS-RDJZCZTQSA-N 2 2 325.497 1.412 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)[C@H](C)O ZINC000422129199 447363461 /nfs/dbraw/zinc/36/34/61/447363461.db2.gz ILKRTXZEPTWQSS-RDJZCZTQSA-N 2 2 325.497 1.412 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000414936545 447363762 /nfs/dbraw/zinc/36/37/62/447363762.db2.gz CYGOACCLHPYLFZ-HIFRSBDPSA-N 2 2 335.448 1.440 20 0 EDADLP C[N@H+](CC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCSC1 ZINC000534269187 306005145 /nfs/dbraw/zinc/00/51/45/306005145.db2.gz LFKJONRXSNXVDB-MRXNPFEDSA-N 2 2 330.457 1.926 20 0 EDADLP C[N@@H+](CC(=O)NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCSC1 ZINC000534269187 306005146 /nfs/dbraw/zinc/00/51/46/306005146.db2.gz LFKJONRXSNXVDB-MRXNPFEDSA-N 2 2 330.457 1.926 20 0 EDADLP C[N@H+](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000534306270 306005483 /nfs/dbraw/zinc/00/54/83/306005483.db2.gz NJFRJIACUYKBTQ-AWEZNQCLSA-N 3 2 349.504 1.209 20 0 EDADLP C[N@@H+](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000534306270 306005484 /nfs/dbraw/zinc/00/54/84/306005484.db2.gz NJFRJIACUYKBTQ-AWEZNQCLSA-N 3 2 349.504 1.209 20 0 EDADLP C[C@@H](C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)N1CC[NH+](C)CC1 ZINC000542635811 306055506 /nfs/dbraw/zinc/05/55/06/306055506.db2.gz AHOOLGPYULAMLL-AWEZNQCLSA-N 2 2 327.432 1.329 20 0 EDADLP Cc1ncc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000552067895 306174779 /nfs/dbraw/zinc/17/47/79/306174779.db2.gz YXNNGTVUXDETRB-HOTGVXAUSA-N 2 2 348.491 1.875 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C(C)C ZINC000552703008 306180937 /nfs/dbraw/zinc/18/09/37/306180937.db2.gz DOQGEGCEIDZASE-UHFFFAOYSA-N 2 2 331.420 1.508 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000553187581 306183609 /nfs/dbraw/zinc/18/36/09/306183609.db2.gz IASBEFFAQSTDPR-WBVHZDCISA-N 2 2 347.507 1.144 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000553187581 306183610 /nfs/dbraw/zinc/18/36/10/306183610.db2.gz IASBEFFAQSTDPR-WBVHZDCISA-N 2 2 347.507 1.144 20 0 EDADLP COc1ccc(Cl)cc1C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556853632 306220421 /nfs/dbraw/zinc/22/04/21/306220421.db2.gz HFLKUAGDMFAGLM-ZENOOKHLSA-N 2 2 342.867 1.908 20 0 EDADLP COc1ccc(Cl)cc1C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000556853632 306220422 /nfs/dbraw/zinc/22/04/22/306220422.db2.gz HFLKUAGDMFAGLM-ZENOOKHLSA-N 2 2 342.867 1.908 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000557127128 306224491 /nfs/dbraw/zinc/22/44/91/306224491.db2.gz VHCGAAQRLHDUGK-CYBMUJFWSA-N 2 2 326.828 1.133 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000557127128 306224492 /nfs/dbraw/zinc/22/44/92/306224492.db2.gz VHCGAAQRLHDUGK-CYBMUJFWSA-N 2 2 326.828 1.133 20 0 EDADLP COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000449453688 447373519 /nfs/dbraw/zinc/37/35/19/447373519.db2.gz NEJAYHKTOOWEEZ-INIZCTEOSA-N 2 2 335.429 1.945 20 0 EDADLP COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000449453688 447373524 /nfs/dbraw/zinc/37/35/24/447373524.db2.gz NEJAYHKTOOWEEZ-INIZCTEOSA-N 2 2 335.429 1.945 20 0 EDADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000415106422 447388854 /nfs/dbraw/zinc/38/88/54/447388854.db2.gz HMRFAYSWQNDYPM-UHFFFAOYSA-N 2 2 347.463 1.573 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CCO[C@@H]3C)CC2)CC1 ZINC000422183384 447391602 /nfs/dbraw/zinc/39/16/02/447391602.db2.gz OSHCUJIMFWOHNF-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CCO[C@@H]3C)CC2)CC1 ZINC000422183384 447391607 /nfs/dbraw/zinc/39/16/07/447391607.db2.gz OSHCUJIMFWOHNF-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000493829553 447402826 /nfs/dbraw/zinc/40/28/26/447402826.db2.gz XCENDFGFJQEMPJ-OUOZUETKSA-N 2 2 340.427 1.722 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000493829553 447402832 /nfs/dbraw/zinc/40/28/32/447402832.db2.gz XCENDFGFJQEMPJ-OUOZUETKSA-N 2 2 340.427 1.722 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)[nH+]c2c1 ZINC000080102938 441141720 /nfs/dbraw/zinc/14/17/20/441141720.db2.gz WMXRUVPNHCOOCW-CQSZACIVSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1ccn2cc(CNC(=O)NC[C@H]3CC[N@H+](C4CC4)C3)[nH+]c2c1 ZINC000080102938 441141725 /nfs/dbraw/zinc/14/17/25/441141725.db2.gz WMXRUVPNHCOOCW-CQSZACIVSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1ccn2cc(CNC(=O)NCCC[NH+]3CCOCC3)[nH+]c2c1 ZINC000080100834 441141740 /nfs/dbraw/zinc/14/17/40/441141740.db2.gz CMYBRZBZZZVDRW-UHFFFAOYSA-N 2 2 331.420 1.164 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000080621698 441184264 /nfs/dbraw/zinc/18/42/64/441184264.db2.gz DZRMUMFNJXURQM-QGZVFWFLSA-N 2 2 327.432 1.799 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000080621698 441184265 /nfs/dbraw/zinc/18/42/65/441184265.db2.gz DZRMUMFNJXURQM-QGZVFWFLSA-N 2 2 327.432 1.799 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2)[NH+]1CCOCC1 ZINC000105145685 441238110 /nfs/dbraw/zinc/23/81/10/441238110.db2.gz OFDKNISWLGREGN-LSDHHAIUSA-N 2 2 349.479 1.170 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000105214839 441243016 /nfs/dbraw/zinc/24/30/16/441243016.db2.gz VLTFZEVERMSLMA-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000105214839 441243019 /nfs/dbraw/zinc/24/30/19/441243019.db2.gz VLTFZEVERMSLMA-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000106547568 441354295 /nfs/dbraw/zinc/35/42/95/441354295.db2.gz YGDPNWDLJGAZBL-SJORKVTESA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000106547566 441354613 /nfs/dbraw/zinc/35/46/13/441354613.db2.gz YGDPNWDLJGAZBL-DLBZAZTESA-N 2 2 339.528 1.042 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)n1C ZINC000083693298 441367723 /nfs/dbraw/zinc/36/77/23/441367723.db2.gz HDNDKLSCUMHKPR-ZDUSSCGKSA-N 2 2 334.424 1.181 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NCc3c[nH+]c(N(C)C)n3C)cn21 ZINC000083721950 441370833 /nfs/dbraw/zinc/37/08/33/441370833.db2.gz XFCRTHLYODNWIS-UHFFFAOYSA-N 2 2 341.419 1.442 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3F)C2)CC1 ZINC000107370495 441414311 /nfs/dbraw/zinc/41/43/11/441414311.db2.gz IXBXVOHCHVZLJY-OAHLLOKOSA-N 2 2 334.439 1.476 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3F)C2)CC1 ZINC000107370495 441414314 /nfs/dbraw/zinc/41/43/14/441414314.db2.gz IXBXVOHCHVZLJY-OAHLLOKOSA-N 2 2 334.439 1.476 20 0 EDADLP c1ccc(-n2nnnc2C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051957137 441428914 /nfs/dbraw/zinc/42/89/14/441428914.db2.gz JOPUGLNVQRJVMK-UHFFFAOYSA-N 2 2 342.447 1.207 20 0 EDADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000075007737 441485954 /nfs/dbraw/zinc/48/59/54/441485954.db2.gz NKLLAQLFEKEJTD-UHFFFAOYSA-N 2 2 339.402 1.488 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000065983720 441498068 /nfs/dbraw/zinc/49/80/68/441498068.db2.gz QJVMYJQKCZXJKX-CQSZACIVSA-N 2 2 335.452 1.058 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000053450476 441523645 /nfs/dbraw/zinc/52/36/45/441523645.db2.gz RWJWAULIWRKQBH-UHFFFAOYSA-N 2 2 342.443 1.774 20 0 EDADLP C[NH+]1CCN(CC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000111611631 441538312 /nfs/dbraw/zinc/53/83/12/441538312.db2.gz CYBSQMZYDWEAMM-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP C[NH+]1CCN(CC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000111611631 441538317 /nfs/dbraw/zinc/53/83/17/441538317.db2.gz CYBSQMZYDWEAMM-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)Cn3c[nH+]c(C)c3C)CC2)cc1 ZINC000112980412 441573928 /nfs/dbraw/zinc/57/39/28/441573928.db2.gz NRUJISFTTNPDQP-UHFFFAOYSA-N 2 2 342.443 1.853 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(-n3ccnn3)cc2)CC1 ZINC000089847691 441586008 /nfs/dbraw/zinc/58/60/08/441586008.db2.gz ABNLUQZYGGKGAG-UHFFFAOYSA-N 2 2 342.447 1.023 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066920238 441587115 /nfs/dbraw/zinc/58/71/15/441587115.db2.gz WULJCBBYRKOPRJ-INMHGKMJSA-N 2 2 336.480 1.832 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)ccc2n1C ZINC000076301113 441626024 /nfs/dbraw/zinc/62/60/24/441626024.db2.gz WCAGNKWQXBAGIQ-LLVKDONJSA-N 2 2 343.431 1.419 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)ccc2n1C ZINC000076301113 441626026 /nfs/dbraw/zinc/62/60/26/441626026.db2.gz WCAGNKWQXBAGIQ-LLVKDONJSA-N 2 2 343.431 1.419 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478744 441662263 /nfs/dbraw/zinc/66/22/63/441662263.db2.gz WHJRHSDRBMSHCS-QGZVFWFLSA-N 2 2 349.475 1.212 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478744 441662265 /nfs/dbraw/zinc/66/22/65/441662265.db2.gz WHJRHSDRBMSHCS-QGZVFWFLSA-N 2 2 349.475 1.212 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[S@@](=O)[C@H](C)[C@@H]3C)c2cc1C ZINC000076812725 441686696 /nfs/dbraw/zinc/68/66/96/441686696.db2.gz BIENDHLYIUDUCB-PBFDULQYSA-N 2 2 349.500 1.855 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[S@@](=O)[C@H](C)[C@@H]3C)c2cc1C ZINC000076812725 441686705 /nfs/dbraw/zinc/68/67/05/441686705.db2.gz BIENDHLYIUDUCB-PBFDULQYSA-N 2 2 349.500 1.855 20 0 EDADLP c1cn(-c2cc(N3CC[NH+](CC4CCOCC4)CC3)ncn2)c[nH+]1 ZINC000077225841 441737700 /nfs/dbraw/zinc/73/77/00/441737700.db2.gz LMDHKKUQEXXXHK-UHFFFAOYSA-N 2 2 328.420 1.211 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NCCCN3CC[NH2+]CC3)CC2)[nH+]c1 ZINC000158751931 441760391 /nfs/dbraw/zinc/76/03/91/441760391.db2.gz JSDROQJOQHWJHS-UHFFFAOYSA-N 2 2 345.491 1.018 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000042352672 441728335 /nfs/dbraw/zinc/72/83/35/441728335.db2.gz WYQKWKNKHJSMIK-UHFFFAOYSA-N 2 2 326.238 1.313 20 0 EDADLP C[C@@H]1CN(c2ccc(CNc3cc[nH+]c(N(C)C)n3)c[nH+]2)CCO1 ZINC000077488868 441791556 /nfs/dbraw/zinc/79/15/56/441791556.db2.gz MPBYVVSYBRGQBH-CYBMUJFWSA-N 2 2 328.420 1.775 20 0 EDADLP CC(C)(CNC(=O)C[NH+]1CCc2ccccc2CC1)[NH+]1CCOCC1 ZINC000116300098 441809334 /nfs/dbraw/zinc/80/93/34/441809334.db2.gz ZXEGSKHNOVWMIO-UHFFFAOYSA-N 2 2 345.487 1.314 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000122749647 441862157 /nfs/dbraw/zinc/86/21/57/441862157.db2.gz JQGQUDTUQUCLFK-GJZGRUSLSA-N 2 2 344.459 1.881 20 0 EDADLP CC(=O)Oc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000141587658 441853820 /nfs/dbraw/zinc/85/38/20/441853820.db2.gz USGGEDAMKXGOFP-SFHVURJKSA-N 2 2 345.443 1.350 20 0 EDADLP CC(=O)Oc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000141587658 441853822 /nfs/dbraw/zinc/85/38/22/441853822.db2.gz USGGEDAMKXGOFP-SFHVURJKSA-N 2 2 345.443 1.350 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[N@@H+]1C ZINC000123545831 441891734 /nfs/dbraw/zinc/89/17/34/441891734.db2.gz MUDUYAPYJXVPIW-HUUCEWRRSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[N@H+]1C ZINC000123545831 441891737 /nfs/dbraw/zinc/89/17/37/441891737.db2.gz MUDUYAPYJXVPIW-HUUCEWRRSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[NH+]1C ZINC000123545831 441891743 /nfs/dbraw/zinc/89/17/43/441891743.db2.gz MUDUYAPYJXVPIW-HUUCEWRRSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CCOc2cccc(S(C)(=O)=O)c2)CC[NH+]1C ZINC000123545831 441891747 /nfs/dbraw/zinc/89/17/47/441891747.db2.gz MUDUYAPYJXVPIW-HUUCEWRRSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174153729 441893766 /nfs/dbraw/zinc/89/37/66/441893766.db2.gz UQBRDOVALIFNRJ-SJORKVTESA-N 2 2 346.475 1.477 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174153729 441893768 /nfs/dbraw/zinc/89/37/68/441893768.db2.gz UQBRDOVALIFNRJ-SJORKVTESA-N 2 2 346.475 1.477 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093821074 441897082 /nfs/dbraw/zinc/89/70/82/441897082.db2.gz YMDYBVKLPOHAHI-MRXNPFEDSA-N 2 2 327.432 1.301 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093821074 441897084 /nfs/dbraw/zinc/89/70/84/441897084.db2.gz YMDYBVKLPOHAHI-MRXNPFEDSA-N 2 2 327.432 1.301 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH+]1CCN(C)CC1 ZINC000174603919 441942391 /nfs/dbraw/zinc/94/23/91/441942391.db2.gz IBTVIJSANOGADQ-MSOLQXFVSA-N 2 2 338.540 1.639 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150766580 441945661 /nfs/dbraw/zinc/94/56/61/441945661.db2.gz ZAWDSHOGALLOMN-HUUCEWRRSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150766580 441945665 /nfs/dbraw/zinc/94/56/65/441945665.db2.gz ZAWDSHOGALLOMN-HUUCEWRRSA-N 2 2 344.459 1.530 20 0 EDADLP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCCCO[C@@H]3CCOC3)c12 ZINC000119703143 441946995 /nfs/dbraw/zinc/94/69/95/441946995.db2.gz IFTOCIPQLUQEIN-CQSZACIVSA-N 2 2 340.387 1.818 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000125193804 441995108 /nfs/dbraw/zinc/99/51/08/441995108.db2.gz GOSNHTXVEJMYDC-HNNXBMFYSA-N 2 2 337.508 1.724 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000078947218 441997366 /nfs/dbraw/zinc/99/73/66/441997366.db2.gz RBJTUIIEAOTNND-UHFFFAOYSA-N 2 2 345.491 1.785 20 0 EDADLP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000120247011 442035488 /nfs/dbraw/zinc/03/54/88/442035488.db2.gz ZKJMKVULWCTMHJ-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP Cc1cc(C)n(Cc2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc2)n1 ZINC000162285901 442079408 /nfs/dbraw/zinc/07/94/08/442079408.db2.gz QASDBODSTSCEJB-GOSISDBHSA-N 2 2 341.459 1.263 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000080052936 442110427 /nfs/dbraw/zinc/11/04/27/442110427.db2.gz BUFBRFLGESCQBO-UHFFFAOYSA-N 2 2 342.447 1.504 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126490500 442117130 /nfs/dbraw/zinc/11/71/30/442117130.db2.gz AQTHKHGCDDNKQU-KRWDZBQOSA-N 2 2 338.540 1.735 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126490500 442117135 /nfs/dbraw/zinc/11/71/35/442117135.db2.gz AQTHKHGCDDNKQU-KRWDZBQOSA-N 2 2 338.540 1.735 20 0 EDADLP CC[C@H]1CCCCN1C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126490500 442117137 /nfs/dbraw/zinc/11/71/37/442117137.db2.gz AQTHKHGCDDNKQU-KRWDZBQOSA-N 2 2 338.540 1.735 20 0 EDADLP CC[C@H]1CCCCN1C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126490500 442117139 /nfs/dbraw/zinc/11/71/39/442117139.db2.gz AQTHKHGCDDNKQU-KRWDZBQOSA-N 2 2 338.540 1.735 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126490233 442117441 /nfs/dbraw/zinc/11/74/41/442117441.db2.gz AQTHKHGCDDNKQU-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126490233 442117444 /nfs/dbraw/zinc/11/74/44/442117444.db2.gz AQTHKHGCDDNKQU-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126490233 442117446 /nfs/dbraw/zinc/11/74/46/442117446.db2.gz AQTHKHGCDDNKQU-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126490233 442117449 /nfs/dbraw/zinc/11/74/49/442117449.db2.gz AQTHKHGCDDNKQU-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000176073641 442171181 /nfs/dbraw/zinc/17/11/81/442171181.db2.gz RAPBEUCBJNOWDB-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000176073641 442171185 /nfs/dbraw/zinc/17/11/85/442171185.db2.gz RAPBEUCBJNOWDB-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@](C)([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(N)=O ZINC000127197373 442180001 /nfs/dbraw/zinc/18/00/01/442180001.db2.gz ZEFGYPNBYVHMPK-DNVCBOLYSA-N 2 2 346.475 1.135 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000176163495 442184701 /nfs/dbraw/zinc/18/47/01/442184701.db2.gz GRJAOOIFBCWGDU-RDJZCZTQSA-N 2 2 348.495 1.001 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000176163495 442184705 /nfs/dbraw/zinc/18/47/05/442184705.db2.gz GRJAOOIFBCWGDU-RDJZCZTQSA-N 2 2 348.495 1.001 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)[nH+]c1 ZINC000164044161 442189378 /nfs/dbraw/zinc/18/93/78/442189378.db2.gz QVHLUEBNRJSKDR-INIZCTEOSA-N 2 2 348.516 1.912 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)C[N@H+](C)[C@H]3CCSC3)CC2)[nH+]c1 ZINC000164044161 442189381 /nfs/dbraw/zinc/18/93/81/442189381.db2.gz QVHLUEBNRJSKDR-INIZCTEOSA-N 2 2 348.516 1.912 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000152428818 442211374 /nfs/dbraw/zinc/21/13/74/442211374.db2.gz PQGOAIHFWYFCAH-MRXNPFEDSA-N 2 2 349.475 1.594 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000152428818 442211375 /nfs/dbraw/zinc/21/13/75/442211375.db2.gz PQGOAIHFWYFCAH-MRXNPFEDSA-N 2 2 349.475 1.594 20 0 EDADLP COc1ccc(CNC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000152428818 442211378 /nfs/dbraw/zinc/21/13/78/442211378.db2.gz PQGOAIHFWYFCAH-MRXNPFEDSA-N 2 2 349.475 1.594 20 0 EDADLP COc1ccc(CNC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000152428818 442211381 /nfs/dbraw/zinc/21/13/81/442211381.db2.gz PQGOAIHFWYFCAH-MRXNPFEDSA-N 2 2 349.475 1.594 20 0 EDADLP O=C(C[C@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000168537817 442224682 /nfs/dbraw/zinc/22/46/82/442224682.db2.gz LUGKENZOZJUQFP-QZTJIDSGSA-N 2 2 331.460 1.188 20 0 EDADLP Cc1nc(NCCOCCOCCNc2cc[nH+]c(C)n2)cc[nH+]1 ZINC000152608215 442230118 /nfs/dbraw/zinc/23/01/18/442230118.db2.gz VDNPTUJZQZHDNO-UHFFFAOYSA-N 2 2 332.408 1.441 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129163505 442304351 /nfs/dbraw/zinc/30/43/51/442304351.db2.gz DXROFSVCGATGAK-QGZVFWFLSA-N 2 2 331.460 1.543 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC000171017238 442299807 /nfs/dbraw/zinc/29/98/07/442299807.db2.gz OSEOKPCRBGLQTB-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)C[NH+]1CCCCC1 ZINC000171017238 442299809 /nfs/dbraw/zinc/29/98/09/442299809.db2.gz OSEOKPCRBGLQTB-MRXNPFEDSA-N 2 2 340.512 1.518 20 0 EDADLP Cc1ccc(C)c(OCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177118611 442299977 /nfs/dbraw/zinc/29/99/77/442299977.db2.gz YJFDXJWCYOCYHX-UHFFFAOYSA-N 2 2 333.476 1.824 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCSC1 ZINC000153786612 442302748 /nfs/dbraw/zinc/30/27/48/442302748.db2.gz QYLPUFSZWBPTSK-GOSISDBHSA-N 2 2 347.528 1.811 20 0 EDADLP COc1cccc([C@H]2C[C@@H]2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177152472 442305910 /nfs/dbraw/zinc/30/59/10/442305910.db2.gz UISZEADVIUMPFO-MOPGFXCFSA-N 2 2 345.487 1.941 20 0 EDADLP CCC(=O)Nc1cccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177138770 442303229 /nfs/dbraw/zinc/30/32/29/442303229.db2.gz XISPZIQWOLIBRQ-UHFFFAOYSA-N 2 2 346.475 1.791 20 0 EDADLP C[N@H+](CCNC(=O)NCC[NH+]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000171169634 442322298 /nfs/dbraw/zinc/32/22/98/442322298.db2.gz YRXIQURZBAAIBL-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP C[N@@H+](CCNC(=O)NCC[NH+]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000171169634 442322300 /nfs/dbraw/zinc/32/23/00/442322300.db2.gz YRXIQURZBAAIBL-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP C[NH+](CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000171169634 442322303 /nfs/dbraw/zinc/32/23/03/442322303.db2.gz YRXIQURZBAAIBL-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP C[NH+](CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1)Cc1ccccc1 ZINC000171169634 442322306 /nfs/dbraw/zinc/32/23/06/442322306.db2.gz YRXIQURZBAAIBL-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP CC[NH+]1CCN(CCC(=O)Nc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000171245583 442333194 /nfs/dbraw/zinc/33/31/94/442333194.db2.gz CNBIKKVWNAJBBW-UHFFFAOYSA-N 2 2 328.420 1.233 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)C1CC1 ZINC000154741044 442354246 /nfs/dbraw/zinc/35/42/46/442354246.db2.gz DTNHWGYSUCMGAF-JWTNVVGKSA-N 3 2 334.508 1.240 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)C1CC1 ZINC000154741044 442354247 /nfs/dbraw/zinc/35/42/47/442354247.db2.gz DTNHWGYSUCMGAF-JWTNVVGKSA-N 3 2 334.508 1.240 20 0 EDADLP CC[NH+](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC1 ZINC000154741044 442354250 /nfs/dbraw/zinc/35/42/50/442354250.db2.gz DTNHWGYSUCMGAF-JWTNVVGKSA-N 3 2 334.508 1.240 20 0 EDADLP CC[NH+](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC1 ZINC000154741044 442354252 /nfs/dbraw/zinc/35/42/52/442354252.db2.gz DTNHWGYSUCMGAF-JWTNVVGKSA-N 3 2 334.508 1.240 20 0 EDADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000154570891 442345642 /nfs/dbraw/zinc/34/56/42/442345642.db2.gz CNZIVRABIATXCC-AEFFLSMTSA-N 2 2 349.475 1.088 20 0 EDADLP CCCCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153951181 442312480 /nfs/dbraw/zinc/31/24/80/442312480.db2.gz DBFOBVMAFKVWQN-FGTMMUONSA-N 2 2 338.540 1.782 20 0 EDADLP CCCCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153951181 442312481 /nfs/dbraw/zinc/31/24/81/442312481.db2.gz DBFOBVMAFKVWQN-FGTMMUONSA-N 2 2 338.540 1.782 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)[C@@H]1CCOC1 ZINC000155155697 442378365 /nfs/dbraw/zinc/37/83/65/442378365.db2.gz PMGHJJQEFCDNJD-FUHWJXTLSA-N 2 2 334.460 1.912 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@H]3CCOC3)CC2)c1 ZINC000178337882 442425730 /nfs/dbraw/zinc/42/57/30/442425730.db2.gz OLPNZUHLXZUXJC-LJQANCHMSA-N 2 2 345.487 1.608 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@H]3CCOC3)CC2)c1 ZINC000178337882 442425732 /nfs/dbraw/zinc/42/57/32/442425732.db2.gz OLPNZUHLXZUXJC-LJQANCHMSA-N 2 2 345.487 1.608 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000178390541 442429685 /nfs/dbraw/zinc/42/96/85/442429685.db2.gz KNTRFJNTCMVAIH-MRXNPFEDSA-N 2 2 341.415 1.394 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)CC[C@@H]21 ZINC000133746596 442431781 /nfs/dbraw/zinc/43/17/81/442431781.db2.gz LAHCLOOHRYXZNZ-OAGGEKHMSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)CC[C@@H]21 ZINC000133746596 442431783 /nfs/dbraw/zinc/43/17/83/442431783.db2.gz LAHCLOOHRYXZNZ-OAGGEKHMSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)CC[C@@H]21 ZINC000133746596 442431786 /nfs/dbraw/zinc/43/17/86/442431786.db2.gz LAHCLOOHRYXZNZ-OAGGEKHMSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)CC[C@@H]21 ZINC000133746596 442431789 /nfs/dbraw/zinc/43/17/89/442431789.db2.gz LAHCLOOHRYXZNZ-OAGGEKHMSA-N 2 2 331.464 1.358 20 0 EDADLP COC[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000178459897 442435626 /nfs/dbraw/zinc/43/56/26/442435626.db2.gz MVCRTOCWMZBRMR-YOEHRIQHSA-N 2 2 330.432 1.200 20 0 EDADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000186102769 442463372 /nfs/dbraw/zinc/46/33/72/442463372.db2.gz ZLHVOYCSZHRKFG-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1)C(C)C ZINC000178780947 442484227 /nfs/dbraw/zinc/48/42/27/442484227.db2.gz AJNYJNCLDWYRJL-IBGZPJMESA-N 2 2 344.503 1.647 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1)C(C)C ZINC000178780947 442484230 /nfs/dbraw/zinc/48/42/30/442484230.db2.gz AJNYJNCLDWYRJL-IBGZPJMESA-N 2 2 344.503 1.647 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CC3(CO)CC3)CC2)c1 ZINC000186779282 442608422 /nfs/dbraw/zinc/60/84/22/442608422.db2.gz VSOQGSVXNRWMFK-UHFFFAOYSA-N 2 2 345.487 1.344 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)CC3(CO)CC3)CC2)c1 ZINC000186779282 442608426 /nfs/dbraw/zinc/60/84/26/442608426.db2.gz VSOQGSVXNRWMFK-UHFFFAOYSA-N 2 2 345.487 1.344 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000157478125 442586825 /nfs/dbraw/zinc/58/68/25/442586825.db2.gz YXALANDSHWNZFX-HOCLYGCPSA-N 2 2 338.496 1.807 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000157478125 442586828 /nfs/dbraw/zinc/58/68/28/442586828.db2.gz YXALANDSHWNZFX-HOCLYGCPSA-N 2 2 338.496 1.807 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1(C)C ZINC000186712337 442598437 /nfs/dbraw/zinc/59/84/37/442598437.db2.gz APWVDGHDFNKUJB-GUYCJALGSA-N 2 2 329.404 1.738 20 0 EDADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181035338 442676849 /nfs/dbraw/zinc/67/68/49/442676849.db2.gz DWUIVJMCLGSKGL-SJORKVTESA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181086946 442679434 /nfs/dbraw/zinc/67/94/34/442679434.db2.gz KJURXCMASSKMJQ-AWEZNQCLSA-N 2 2 335.452 1.752 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181086946 442679438 /nfs/dbraw/zinc/67/94/38/442679438.db2.gz KJURXCMASSKMJQ-AWEZNQCLSA-N 2 2 335.452 1.752 20 0 EDADLP COc1ccccc1C[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000192732071 442681366 /nfs/dbraw/zinc/68/13/66/442681366.db2.gz KYEMAPCREJJPAO-QGZVFWFLSA-N 2 2 333.476 1.534 20 0 EDADLP COc1ccccc1C[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000192732071 442681368 /nfs/dbraw/zinc/68/13/68/442681368.db2.gz KYEMAPCREJJPAO-QGZVFWFLSA-N 2 2 333.476 1.534 20 0 EDADLP [NH3+]Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)co1 ZINC000188040339 442704436 /nfs/dbraw/zinc/70/44/36/442704436.db2.gz OVRPTKSJEPYWBD-QGZVFWFLSA-N 2 2 329.400 1.542 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C)C1 ZINC000180876615 442666753 /nfs/dbraw/zinc/66/67/53/442666753.db2.gz ALQCGOJGXNXDNO-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C)C1 ZINC000180876615 442666754 /nfs/dbraw/zinc/66/67/54/442666754.db2.gz ALQCGOJGXNXDNO-ZDUSSCGKSA-N 2 2 330.388 1.044 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)c1ccccc1 ZINC000187288872 442667777 /nfs/dbraw/zinc/66/77/77/442667777.db2.gz LKGQHWZNZPZHJR-SJLPKXTDSA-N 2 2 333.476 1.595 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)c1ccccc1 ZINC000187288872 442667779 /nfs/dbraw/zinc/66/77/79/442667779.db2.gz LKGQHWZNZPZHJR-SJLPKXTDSA-N 2 2 333.476 1.595 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000188250548 442729462 /nfs/dbraw/zinc/72/94/62/442729462.db2.gz IHUCIGBZVFUODT-UHFFFAOYSA-N 2 2 332.448 1.676 20 0 EDADLP Nc1cc[nH+]cc1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000188114554 442713689 /nfs/dbraw/zinc/71/36/89/442713689.db2.gz IYQRZYKBGJUWKX-UHFFFAOYSA-N 2 2 326.400 1.791 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)nc[nH+]1 ZINC000246497486 442786719 /nfs/dbraw/zinc/78/67/19/442786719.db2.gz SKLVSHHZLSPFBK-CAOSSQGBSA-N 3 2 332.496 1.805 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2ccccc2n1 ZINC000193620623 442760598 /nfs/dbraw/zinc/76/05/98/442760598.db2.gz QIGXKJIUHAANAB-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc2ccccc2n1 ZINC000193620623 442760600 /nfs/dbraw/zinc/76/06/00/442760600.db2.gz QIGXKJIUHAANAB-UHFFFAOYSA-N 2 2 341.459 1.728 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000246367513 442776328 /nfs/dbraw/zinc/77/63/28/442776328.db2.gz NSQOGBJUCXHLIH-SJORKVTESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000246367513 442776334 /nfs/dbraw/zinc/77/63/34/442776334.db2.gz NSQOGBJUCXHLIH-SJORKVTESA-N 2 2 340.512 1.374 20 0 EDADLP Cc1nn(C(C)(C)C)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000182509712 442777690 /nfs/dbraw/zinc/77/76/90/442777690.db2.gz YDKWVMWNJPSNKB-UHFFFAOYSA-N 2 2 335.496 1.702 20 0 EDADLP CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000265464570 442783654 /nfs/dbraw/zinc/78/36/54/442783654.db2.gz YGNWUYMIHBKBFS-KRWDZBQOSA-N 2 2 349.475 1.454 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000246764859 442810573 /nfs/dbraw/zinc/81/05/73/442810573.db2.gz HWDHCYJYQQZCFU-NVXWUHKLSA-N 2 2 345.443 1.368 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000246764859 442810576 /nfs/dbraw/zinc/81/05/76/442810576.db2.gz HWDHCYJYQQZCFU-NVXWUHKLSA-N 2 2 345.443 1.368 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000246764859 442810579 /nfs/dbraw/zinc/81/05/79/442810579.db2.gz HWDHCYJYQQZCFU-NVXWUHKLSA-N 2 2 345.443 1.368 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000246764859 442810583 /nfs/dbraw/zinc/81/05/83/442810583.db2.gz HWDHCYJYQQZCFU-NVXWUHKLSA-N 2 2 345.443 1.368 20 0 EDADLP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000193927876 442813389 /nfs/dbraw/zinc/81/33/89/442813389.db2.gz HRXGBEPZFWAFQY-UHFFFAOYSA-N 2 2 328.460 1.600 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000268003093 442813778 /nfs/dbraw/zinc/81/37/78/442813778.db2.gz DJLJELCRCTXVEE-AWEZNQCLSA-N 2 2 337.489 1.604 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000193937491 442815974 /nfs/dbraw/zinc/81/59/74/442815974.db2.gz LPBHAWUXIOKRPH-UHFFFAOYSA-N 2 2 338.371 1.214 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000247704692 442865698 /nfs/dbraw/zinc/86/56/98/442865698.db2.gz RSZHUWSFUPFBCK-IXDOHACOSA-N 2 2 346.475 1.618 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000247704692 442865703 /nfs/dbraw/zinc/86/57/03/442865703.db2.gz RSZHUWSFUPFBCK-IXDOHACOSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)C[N@@H+]1Cc1ccccc1 ZINC000268156109 442875194 /nfs/dbraw/zinc/87/51/94/442875194.db2.gz YNXHEUFMKUUKPH-ZBFHGGJFSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)C[N@H+]1Cc1ccccc1 ZINC000268156109 442875200 /nfs/dbraw/zinc/87/52/00/442875200.db2.gz YNXHEUFMKUUKPH-ZBFHGGJFSA-N 2 2 327.432 1.882 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248438152 442890950 /nfs/dbraw/zinc/89/09/50/442890950.db2.gz BSLWHMBFMHGKRM-KBPBESRZSA-N 2 2 327.469 1.106 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248438152 442890954 /nfs/dbraw/zinc/89/09/54/442890954.db2.gz BSLWHMBFMHGKRM-KBPBESRZSA-N 2 2 327.469 1.106 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248438152 442890959 /nfs/dbraw/zinc/89/09/59/442890959.db2.gz BSLWHMBFMHGKRM-KBPBESRZSA-N 2 2 327.469 1.106 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248438152 442890962 /nfs/dbraw/zinc/89/09/62/442890962.db2.gz BSLWHMBFMHGKRM-KBPBESRZSA-N 2 2 327.469 1.106 20 0 EDADLP C[C@H]1COCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000194495287 442906625 /nfs/dbraw/zinc/90/66/25/442906625.db2.gz ARMPBNSICXYZNQ-IRXDYDNUSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182751411 318512130 /nfs/dbraw/zinc/51/21/30/318512130.db2.gz CDEWCEJDJCYRHP-MRXNPFEDSA-N 2 2 333.480 1.338 20 0 EDADLP C[NH+](CCc1nccs1)CC(O)C[N@H+](C)CCc1nccs1 ZINC000194737397 442946113 /nfs/dbraw/zinc/94/61/13/442946113.db2.gz OGHBYOBCCDKKCG-UHFFFAOYSA-N 2 2 340.518 1.609 20 0 EDADLP C[NH+](CCc1nccs1)CC(O)C[N@@H+](C)CCc1nccs1 ZINC000194737397 442946116 /nfs/dbraw/zinc/94/61/16/442946116.db2.gz OGHBYOBCCDKKCG-UHFFFAOYSA-N 2 2 340.518 1.609 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183745731 442958043 /nfs/dbraw/zinc/95/80/43/442958043.db2.gz NPEBEMAZSGCSRN-SJORKVTESA-N 2 2 343.537 1.797 20 0 EDADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183745731 442958047 /nfs/dbraw/zinc/95/80/47/442958047.db2.gz NPEBEMAZSGCSRN-SJORKVTESA-N 2 2 343.537 1.797 20 0 EDADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183745731 442958050 /nfs/dbraw/zinc/95/80/50/442958050.db2.gz NPEBEMAZSGCSRN-SJORKVTESA-N 2 2 343.537 1.797 20 0 EDADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000183745731 442958054 /nfs/dbraw/zinc/95/80/54/442958054.db2.gz NPEBEMAZSGCSRN-SJORKVTESA-N 2 2 343.537 1.797 20 0 EDADLP CC(C)Oc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000268391284 442972402 /nfs/dbraw/zinc/97/24/02/442972402.db2.gz XJAHJQXXNYKETF-UHFFFAOYSA-N 2 2 348.491 1.967 20 0 EDADLP CC(C)Oc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000268391284 442972407 /nfs/dbraw/zinc/97/24/07/442972407.db2.gz XJAHJQXXNYKETF-UHFFFAOYSA-N 2 2 348.491 1.967 20 0 EDADLP CSC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCC1 ZINC000195053651 442979736 /nfs/dbraw/zinc/97/97/36/442979736.db2.gz GMKOFSZCUIMDHT-UHFFFAOYSA-N 2 2 328.526 1.597 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[NH+](CCO)CC1 ZINC000265956682 442983676 /nfs/dbraw/zinc/98/36/76/442983676.db2.gz IGHHGBDVOLNWGR-UHFFFAOYSA-N 2 2 343.427 1.834 20 0 EDADLP COCCO[C@H]1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000189704551 442996201 /nfs/dbraw/zinc/99/62/01/442996201.db2.gz SOPAMQSSMRGQMD-SJORKVTESA-N 2 2 347.459 1.751 20 0 EDADLP COCCO[C@H]1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000189704551 442996203 /nfs/dbraw/zinc/99/62/03/442996203.db2.gz SOPAMQSSMRGQMD-SJORKVTESA-N 2 2 347.459 1.751 20 0 EDADLP CC(C)(O)C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000189907899 443026929 /nfs/dbraw/zinc/02/69/29/443026929.db2.gz OKMJDPKJHCGCMP-UHFFFAOYSA-N 2 2 335.448 1.159 20 0 EDADLP CC(C)(O)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000189907899 443026933 /nfs/dbraw/zinc/02/69/33/443026933.db2.gz OKMJDPKJHCGCMP-UHFFFAOYSA-N 2 2 335.448 1.159 20 0 EDADLP Cc1nn(C)c2ncc(C[NH2+]C[C@@H](O)C[NH+]3CCC(C)CC3)cc12 ZINC000236627681 443140820 /nfs/dbraw/zinc/14/08/20/443140820.db2.gz WLLPTDVJOYGNAK-MRXNPFEDSA-N 2 2 331.464 1.459 20 0 EDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1CCCC[NH2+]1 ZINC000236763317 443146157 /nfs/dbraw/zinc/14/61/57/443146157.db2.gz RJOZZXNNTXMWBY-LBPRGKRZSA-N 2 2 337.221 1.855 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000268918480 443146859 /nfs/dbraw/zinc/14/68/59/443146859.db2.gz OHRUSFHNEJCSTL-SJORKVTESA-N 2 2 333.501 1.946 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000268918480 443146863 /nfs/dbraw/zinc/14/68/63/443146863.db2.gz OHRUSFHNEJCSTL-SJORKVTESA-N 2 2 333.501 1.946 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000268817229 443117279 /nfs/dbraw/zinc/11/72/79/443117279.db2.gz NXXRBMQYOQVNEY-INIZCTEOSA-N 3 2 328.464 1.678 20 0 EDADLP CC[C@]1(C)CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000190777263 443181073 /nfs/dbraw/zinc/18/10/73/443181073.db2.gz NVQPJEVWZCNQCB-QGZVFWFLSA-N 2 2 326.485 1.223 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237991291 443192024 /nfs/dbraw/zinc/19/20/24/443192024.db2.gz ADTBIQMDYBZQRN-MSOLQXFVSA-N 2 2 331.460 1.766 20 0 EDADLP CN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000185405340 443194669 /nfs/dbraw/zinc/19/46/69/443194669.db2.gz PGXPWOQQTWVCSL-SFHVURJKSA-N 2 2 348.491 1.653 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000266504560 443149108 /nfs/dbraw/zinc/14/91/08/443149108.db2.gz WCXZKFAIDBJJLT-UHFFFAOYSA-N 2 2 338.415 1.427 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)on1 ZINC000245415707 443225385 /nfs/dbraw/zinc/22/53/85/443225385.db2.gz DNBZJHLQAQCCMF-JKSUJKDBSA-N 2 2 349.479 1.412 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)on1 ZINC000245415707 443225389 /nfs/dbraw/zinc/22/53/89/443225389.db2.gz DNBZJHLQAQCCMF-JKSUJKDBSA-N 2 2 349.479 1.412 20 0 EDADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245500962 443231912 /nfs/dbraw/zinc/23/19/12/443231912.db2.gz AJEXGPZLZLELDQ-SJORKVTESA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245500962 443231916 /nfs/dbraw/zinc/23/19/16/443231916.db2.gz AJEXGPZLZLELDQ-SJORKVTESA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245500962 443231920 /nfs/dbraw/zinc/23/19/20/443231920.db2.gz AJEXGPZLZLELDQ-SJORKVTESA-N 2 2 345.553 1.902 20 0 EDADLP CCS(=O)(=O)NCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245500962 443231922 /nfs/dbraw/zinc/23/19/22/443231922.db2.gz AJEXGPZLZLELDQ-SJORKVTESA-N 2 2 345.553 1.902 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@H]1CCCOC1 ZINC000245497695 443232010 /nfs/dbraw/zinc/23/20/10/443232010.db2.gz UQBRDOVALIFNRJ-IAGOWNOFSA-N 2 2 346.475 1.477 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245497695 443232013 /nfs/dbraw/zinc/23/20/13/443232013.db2.gz UQBRDOVALIFNRJ-IAGOWNOFSA-N 2 2 346.475 1.477 20 0 EDADLP CC(C)[C@@H](CCO)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269213566 443235613 /nfs/dbraw/zinc/23/56/13/443235613.db2.gz JABJFBRIRCZCBL-ZWKOTPCHSA-N 2 2 344.459 1.324 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000262601660 443202493 /nfs/dbraw/zinc/20/24/93/443202493.db2.gz XSKQSZFGHHBBRG-IUODEOHRSA-N 2 2 325.840 1.437 20 0 EDADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000269233420 443243562 /nfs/dbraw/zinc/24/35/62/443243562.db2.gz KYDMKGRGMGGQGH-QGZVFWFLSA-N 2 2 328.416 1.316 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000266700892 443212328 /nfs/dbraw/zinc/21/23/28/443212328.db2.gz GDGXYPRHPKXTIX-INIZCTEOSA-N 2 2 346.475 1.088 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)c1ccccc1 ZINC000266700892 443212330 /nfs/dbraw/zinc/21/23/30/443212330.db2.gz GDGXYPRHPKXTIX-INIZCTEOSA-N 2 2 346.475 1.088 20 0 EDADLP C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@@H]3CCc4[nH+]ccn4C3)n1)OC2 ZINC000350342974 319047648 /nfs/dbraw/zinc/04/76/48/319047648.db2.gz URNRLCPKRWSEOC-PBFPGSCMSA-N 2 2 329.404 1.922 20 0 EDADLP C[C@]12CCC[N@H+]1C[C@H](c1noc([C@@H]3CCc4[nH+]ccn4C3)n1)OC2 ZINC000350342974 319047649 /nfs/dbraw/zinc/04/76/49/319047649.db2.gz URNRLCPKRWSEOC-PBFPGSCMSA-N 2 2 329.404 1.922 20 0 EDADLP CC(C)C[C@@H](CO)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000185732087 443246942 /nfs/dbraw/zinc/24/69/42/443246942.db2.gz YKCUGVMHVVBURH-INIZCTEOSA-N 2 2 328.501 1.061 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719869 319126153 /nfs/dbraw/zinc/12/61/53/319126153.db2.gz YDTNHHHEEGFYDR-ZCNNSNEGSA-N 3 2 331.504 1.753 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719869 319126155 /nfs/dbraw/zinc/12/61/55/319126155.db2.gz YDTNHHHEEGFYDR-ZCNNSNEGSA-N 3 2 331.504 1.753 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719869 319126157 /nfs/dbraw/zinc/12/61/57/319126157.db2.gz YDTNHHHEEGFYDR-ZCNNSNEGSA-N 3 2 331.504 1.753 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000387577689 319131774 /nfs/dbraw/zinc/13/17/74/319131774.db2.gz OXAHWKXYPBREQR-HOTGVXAUSA-N 2 2 327.513 1.874 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccn(C)n1 ZINC000414081687 319316015 /nfs/dbraw/zinc/31/60/15/319316015.db2.gz UQFRPQCPXPENQM-MRXNPFEDSA-N 2 2 344.459 1.982 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000415082367 319345816 /nfs/dbraw/zinc/34/58/16/319345816.db2.gz OFVJMKZTPRUEGG-ROUUACIJSA-N 3 2 347.503 1.875 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000416001281 319389266 /nfs/dbraw/zinc/38/92/66/319389266.db2.gz CDMAYSCRJVZTRW-GRYCIOLGSA-N 2 2 333.358 1.755 20 0 EDADLP Cc1ccc(N2CC[C@H]([NH+]3CCN(c4[nH+]ccn4C)CC3)C2=O)cc1 ZINC000266925915 443292183 /nfs/dbraw/zinc/29/21/83/443292183.db2.gz NFYXEHHZKCVXCA-KRWDZBQOSA-N 2 2 339.443 1.656 20 0 EDADLP CC(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000246017285 443263036 /nfs/dbraw/zinc/26/30/36/443263036.db2.gz JGMCHKXFSZEOIT-YESZJQIVSA-N 2 2 345.553 1.204 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000416933401 319478213 /nfs/dbraw/zinc/47/82/13/319478213.db2.gz AZCXZTUZNWBDEU-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416952856 319484012 /nfs/dbraw/zinc/48/40/12/319484012.db2.gz JUWVMYOPJOCLAX-HNNXBMFYSA-N 2 2 329.448 1.901 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000264561370 443327555 /nfs/dbraw/zinc/32/75/55/443327555.db2.gz QVJFSHYGBMZDRB-QGZVFWFLSA-N 2 2 328.416 1.382 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000264561370 443327556 /nfs/dbraw/zinc/32/75/56/443327556.db2.gz QVJFSHYGBMZDRB-QGZVFWFLSA-N 2 2 328.416 1.382 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000418415161 319500493 /nfs/dbraw/zinc/50/04/93/319500493.db2.gz NADHPUBBACLZJX-HOTGVXAUSA-N 2 2 326.485 1.256 20 0 EDADLP CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC(=O)N(C)C1=O ZINC000282618282 443390348 /nfs/dbraw/zinc/39/03/48/443390348.db2.gz ZOWDQLXORIEROM-CQSZACIVSA-N 2 2 327.388 1.237 20 0 EDADLP CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC(=O)N(C)C1=O ZINC000282618282 443390351 /nfs/dbraw/zinc/39/03/51/443390351.db2.gz ZOWDQLXORIEROM-CQSZACIVSA-N 2 2 327.388 1.237 20 0 EDADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282486006 443353596 /nfs/dbraw/zinc/35/35/96/443353596.db2.gz MCZHDHLJTPDWGV-OAHLLOKOSA-N 2 2 332.448 1.332 20 0 EDADLP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282486006 443353599 /nfs/dbraw/zinc/35/35/99/443353599.db2.gz MCZHDHLJTPDWGV-OAHLLOKOSA-N 2 2 332.448 1.332 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCSC1 ZINC000267154854 443360588 /nfs/dbraw/zinc/36/05/88/443360588.db2.gz XKRJXCSQRIFKNL-MRXNPFEDSA-N 2 2 331.445 1.434 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/c2ccc3c(c2)CCO3)CC1 ZINC000267174292 443367016 /nfs/dbraw/zinc/36/70/16/443367016.db2.gz AGNORPSDOZWHJO-GQCTYLIASA-N 2 2 343.471 1.777 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272699150 443413596 /nfs/dbraw/zinc/41/35/96/443413596.db2.gz YGSHFWBUHMLNPW-NVXWUHKLSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272699150 443413601 /nfs/dbraw/zinc/41/36/01/443413601.db2.gz YGSHFWBUHMLNPW-NVXWUHKLSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272699150 443413604 /nfs/dbraw/zinc/41/36/04/443413604.db2.gz YGSHFWBUHMLNPW-NVXWUHKLSA-N 2 2 331.460 1.680 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272699150 443413607 /nfs/dbraw/zinc/41/36/07/443413607.db2.gz YGSHFWBUHMLNPW-NVXWUHKLSA-N 2 2 331.460 1.680 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000264798339 443429464 /nfs/dbraw/zinc/42/94/64/443429464.db2.gz UWWCNAFYZOCSKM-SFHVURJKSA-N 2 2 332.492 1.385 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000264798339 443429470 /nfs/dbraw/zinc/42/94/70/443429470.db2.gz UWWCNAFYZOCSKM-SFHVURJKSA-N 2 2 332.492 1.385 20 0 EDADLP C[C@H]1C[N@@H+]([C@@H](CNC(=O)/C=C/C[NH+](C)C)c2cccs2)CCO1 ZINC000267369098 443432905 /nfs/dbraw/zinc/43/29/05/443432905.db2.gz XLXNQORHEQHOBB-OYROCLPXSA-N 2 2 337.489 1.744 20 0 EDADLP C[C@H]1C[N@H+]([C@@H](CNC(=O)/C=C/C[NH+](C)C)c2cccs2)CCO1 ZINC000267369098 443432907 /nfs/dbraw/zinc/43/29/07/443432907.db2.gz XLXNQORHEQHOBB-OYROCLPXSA-N 2 2 337.489 1.744 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1cncc(F)c1 ZINC000264916119 443475349 /nfs/dbraw/zinc/47/53/49/443475349.db2.gz OQMOZTRBZOTKGZ-SNAWJCMRSA-N 2 2 334.439 1.718 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1cncc(F)c1 ZINC000264916119 443475351 /nfs/dbraw/zinc/47/53/51/443475351.db2.gz OQMOZTRBZOTKGZ-SNAWJCMRSA-N 2 2 334.439 1.718 20 0 EDADLP O[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000270539898 443475547 /nfs/dbraw/zinc/47/55/47/443475547.db2.gz XCARJKKUWOUBCI-WTGUMLROSA-N 2 2 342.483 1.953 20 0 EDADLP O[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C[N@H+]1CCc2ccccc2C1 ZINC000270539898 443475550 /nfs/dbraw/zinc/47/55/50/443475550.db2.gz XCARJKKUWOUBCI-WTGUMLROSA-N 2 2 342.483 1.953 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000264838598 443446922 /nfs/dbraw/zinc/44/69/22/443446922.db2.gz GGLVFRLTYHDIHG-UHFFFAOYSA-N 2 2 338.477 1.156 20 0 EDADLP O=C(NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000422956936 319742048 /nfs/dbraw/zinc/74/20/48/319742048.db2.gz ROOQVUSEIIJKKE-GDBMZVCRSA-N 2 2 339.386 1.051 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)NCc3c[nH+]c(N(C)C)n3C)cn2c1 ZINC000267575180 443501317 /nfs/dbraw/zinc/50/13/17/443501317.db2.gz FJGJBCOPXDDAMR-UHFFFAOYSA-N 2 2 341.419 1.442 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000423326654 319764646 /nfs/dbraw/zinc/76/46/46/319764646.db2.gz JMHBSCMVJIBAGQ-AWEZNQCLSA-N 2 2 340.427 1.868 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423388828 319769336 /nfs/dbraw/zinc/76/93/36/319769336.db2.gz IZVNIAITTKPRBP-RCCFBDPRSA-N 2 2 327.428 1.723 20 0 EDADLP CC[C@H]([NH2+]C[C@H](C)[NH2+]C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423392068 319770240 /nfs/dbraw/zinc/77/02/40/319770240.db2.gz OAUNDYVGEXCHPT-GWCFXTLKSA-N 2 2 333.885 1.897 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283221690 443564827 /nfs/dbraw/zinc/56/48/27/443564827.db2.gz SISBFGHPPAHTFA-APHBUQMISA-N 2 2 325.416 1.798 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000283221690 443564829 /nfs/dbraw/zinc/56/48/29/443564829.db2.gz SISBFGHPPAHTFA-APHBUQMISA-N 2 2 325.416 1.798 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000265138665 443546162 /nfs/dbraw/zinc/54/61/62/443546162.db2.gz POYKWEBRKIEVGS-HNNXBMFYSA-N 2 2 338.459 1.743 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000265138665 443546165 /nfs/dbraw/zinc/54/61/65/443546165.db2.gz POYKWEBRKIEVGS-HNNXBMFYSA-N 2 2 338.459 1.743 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[N@@H+]1CCOC ZINC000265379568 443622691 /nfs/dbraw/zinc/62/26/91/443622691.db2.gz PHRPPBSNVAFVIS-INIZCTEOSA-N 2 2 349.479 1.400 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[N@H+]1CCOC ZINC000265379568 443622693 /nfs/dbraw/zinc/62/26/93/443622693.db2.gz PHRPPBSNVAFVIS-INIZCTEOSA-N 2 2 349.479 1.400 20 0 EDADLP CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000283445651 443635704 /nfs/dbraw/zinc/63/57/04/443635704.db2.gz MHJXPQXQGPRHGD-AWEZNQCLSA-N 2 2 333.436 1.064 20 0 EDADLP COCC1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[NH2+]CC1 ZINC000279962226 443650831 /nfs/dbraw/zinc/65/08/31/443650831.db2.gz VURISOKGMOPRTD-UHFFFAOYSA-N 2 2 346.475 1.704 20 0 EDADLP C[C@H]1CCSCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000286146278 443655660 /nfs/dbraw/zinc/65/56/60/443655660.db2.gz NHUURCKEGLJLBS-INIZCTEOSA-N 2 2 348.516 1.948 20 0 EDADLP C[C@H]1CCSCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000286146278 443655662 /nfs/dbraw/zinc/65/56/62/443655662.db2.gz NHUURCKEGLJLBS-INIZCTEOSA-N 2 2 348.516 1.948 20 0 EDADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280121819 443668047 /nfs/dbraw/zinc/66/80/47/443668047.db2.gz VGVCSAMMOWKGLH-MSOLQXFVSA-N 2 2 336.501 1.875 20 0 EDADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280121819 443668050 /nfs/dbraw/zinc/66/80/50/443668050.db2.gz VGVCSAMMOWKGLH-MSOLQXFVSA-N 2 2 336.501 1.875 20 0 EDADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280121819 443668052 /nfs/dbraw/zinc/66/80/52/443668052.db2.gz VGVCSAMMOWKGLH-MSOLQXFVSA-N 2 2 336.501 1.875 20 0 EDADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCS(=O)(=O)C1 ZINC000280121819 443668054 /nfs/dbraw/zinc/66/80/54/443668054.db2.gz VGVCSAMMOWKGLH-MSOLQXFVSA-N 2 2 336.501 1.875 20 0 EDADLP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449391895 320187327 /nfs/dbraw/zinc/18/73/27/320187327.db2.gz IURBHVCRNUUPKP-MRXNPFEDSA-N 2 2 336.432 1.175 20 0 EDADLP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000449391895 320187329 /nfs/dbraw/zinc/18/73/29/320187329.db2.gz IURBHVCRNUUPKP-MRXNPFEDSA-N 2 2 336.432 1.175 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)CO)CC1 ZINC000451240178 320233117 /nfs/dbraw/zinc/23/31/17/320233117.db2.gz CEXRGYDHCRFQKS-QGZVFWFLSA-N 2 2 347.503 1.842 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)CO)CC1 ZINC000451240178 320233119 /nfs/dbraw/zinc/23/31/19/320233119.db2.gz CEXRGYDHCRFQKS-QGZVFWFLSA-N 2 2 347.503 1.842 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000452117062 320242695 /nfs/dbraw/zinc/24/26/95/320242695.db2.gz NLEMWCCBURVJKU-QGZVFWFLSA-N 2 2 348.491 1.338 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000452117062 320242696 /nfs/dbraw/zinc/24/26/96/320242696.db2.gz NLEMWCCBURVJKU-QGZVFWFLSA-N 2 2 348.491 1.338 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C12CCOCC2 ZINC000453267646 320261356 /nfs/dbraw/zinc/26/13/56/320261356.db2.gz PKSOZDJMDZPBDL-BRWVUGGUSA-N 2 2 326.481 1.397 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C12CCOCC2 ZINC000453267646 320261357 /nfs/dbraw/zinc/26/13/57/320261357.db2.gz PKSOZDJMDZPBDL-BRWVUGGUSA-N 2 2 326.481 1.397 20 0 EDADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453301145 320262575 /nfs/dbraw/zinc/26/25/75/320262575.db2.gz WOFPZTYJRGPGAR-ZAWLATJESA-N 2 2 333.476 1.933 20 0 EDADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453301145 320262576 /nfs/dbraw/zinc/26/25/76/320262576.db2.gz WOFPZTYJRGPGAR-ZAWLATJESA-N 2 2 333.476 1.933 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000457769772 320335436 /nfs/dbraw/zinc/33/54/36/320335436.db2.gz BQERUYMNBOPIID-QGZVFWFLSA-N 2 2 336.436 1.114 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458602780 320338085 /nfs/dbraw/zinc/33/80/85/320338085.db2.gz UDJCXUBJWKSQSY-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458602780 320338086 /nfs/dbraw/zinc/33/80/86/320338086.db2.gz UDJCXUBJWKSQSY-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP C[C@H]([C@H](C)NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)[NH+]1CCOCC1 ZINC000514588883 320429224 /nfs/dbraw/zinc/42/92/24/320429224.db2.gz DBYUBMUZNFIPIC-GZBFAFLISA-N 2 2 347.463 1.128 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N[C@H](C)C[C@@H](C)[NH3+])C1CCOCC1 ZINC000516649657 320439777 /nfs/dbraw/zinc/43/97/77/320439777.db2.gz YJUHIYREGNAMOE-UMVBOHGHSA-N 2 2 337.468 1.796 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC2(CC[NH2+]2)CC1 ZINC000518514046 320458230 /nfs/dbraw/zinc/45/82/30/320458230.db2.gz NNPOXBZLEXVDMP-UHFFFAOYSA-N 2 2 325.416 1.910 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000276547902 443742828 /nfs/dbraw/zinc/74/28/28/443742828.db2.gz 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1.440 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000571340631 321383249 /nfs/dbraw/zinc/38/32/49/321383249.db2.gz IQKBRZHPJQGOIR-IAGOWNOFSA-N 2 2 346.475 1.440 20 0 EDADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000571408020 321386397 /nfs/dbraw/zinc/38/63/97/321386397.db2.gz OUZPURMUYSBQNY-KWCYVHTRSA-N 2 2 338.477 1.688 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000571627809 321394089 /nfs/dbraw/zinc/39/40/89/321394089.db2.gz PRFTTWNRRJOSGA-GOSISDBHSA-N 2 2 335.423 1.396 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000571627809 321394090 /nfs/dbraw/zinc/39/40/90/321394090.db2.gz PRFTTWNRRJOSGA-GOSISDBHSA-N 2 2 335.423 1.396 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000289349223 444115076 /nfs/dbraw/zinc/11/50/76/444115076.db2.gz KPJGDAJWCXVXIY-KDOFPFPSSA-N 2 2 331.460 1.919 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000289349223 444115079 /nfs/dbraw/zinc/11/50/79/444115079.db2.gz KPJGDAJWCXVXIY-KDOFPFPSSA-N 2 2 331.460 1.919 20 0 EDADLP C[C@@H](CNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)N1CC[NH+](C)CC1 ZINC000301225432 444156714 /nfs/dbraw/zinc/15/67/14/444156714.db2.gz FXNVGQLATCBIRN-CVEARBPZSA-N 2 2 332.496 1.761 20 0 EDADLP COCC[NH+]1CCC(CNc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000301290256 444161252 /nfs/dbraw/zinc/16/12/52/444161252.db2.gz OUINYGDTTHMRCI-UHFFFAOYSA-N 2 2 335.452 1.084 20 0 EDADLP COCC[NH+]1CCC(CNc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000301290256 444161254 /nfs/dbraw/zinc/16/12/54/444161254.db2.gz OUINYGDTTHMRCI-UHFFFAOYSA-N 2 2 335.452 1.084 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000574188362 321474489 /nfs/dbraw/zinc/47/44/89/321474489.db2.gz DSSNLOYJLHRETK-TZMCWYRMSA-N 2 2 345.896 1.657 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295444548 444184348 /nfs/dbraw/zinc/18/43/48/444184348.db2.gz USWNUHBQIKGPHA-UHFFFAOYSA-N 2 2 333.432 1.296 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295444548 444184349 /nfs/dbraw/zinc/18/43/49/444184349.db2.gz USWNUHBQIKGPHA-UHFFFAOYSA-N 2 2 333.432 1.296 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000289679103 444189638 /nfs/dbraw/zinc/18/96/38/444189638.db2.gz HNTZBVPVTVBBOW-CJNGLKHVSA-N 2 2 339.867 1.516 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301823886 444192420 /nfs/dbraw/zinc/19/24/20/444192420.db2.gz IACPFHYDUXRVJM-HOTGVXAUSA-N 2 2 333.480 1.970 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301823886 444192423 /nfs/dbraw/zinc/19/24/23/444192423.db2.gz IACPFHYDUXRVJM-HOTGVXAUSA-N 2 2 333.480 1.970 20 0 EDADLP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301839590 444193476 /nfs/dbraw/zinc/19/34/76/444193476.db2.gz XPKZGNULHANZGQ-JKSUJKDBSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301839590 444193477 /nfs/dbraw/zinc/19/34/77/444193477.db2.gz XPKZGNULHANZGQ-JKSUJKDBSA-N 2 2 331.464 1.724 20 0 EDADLP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295928919 444194873 /nfs/dbraw/zinc/19/48/73/444194873.db2.gz KEAJTLMGCCZDCH-HOTGVXAUSA-N 2 2 337.464 1.778 20 0 EDADLP CCCCOC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000295928919 444194876 /nfs/dbraw/zinc/19/48/76/444194876.db2.gz KEAJTLMGCCZDCH-HOTGVXAUSA-N 2 2 337.464 1.778 20 0 EDADLP NC(=O)c1c[nH+]ccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000302048202 444202046 /nfs/dbraw/zinc/20/20/46/444202046.db2.gz VZMFOQSTPBLZMP-MSOLQXFVSA-N 2 2 338.411 1.270 20 0 EDADLP NC(=O)c1c[nH+]ccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000302048202 444202048 /nfs/dbraw/zinc/20/20/48/444202048.db2.gz VZMFOQSTPBLZMP-MSOLQXFVSA-N 2 2 338.411 1.270 20 0 EDADLP CO[C@H](Cc1ccccc1)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000296697626 444248238 /nfs/dbraw/zinc/24/82/38/444248238.db2.gz DPTBTMAWAXPCRI-MOPGFXCFSA-N 2 2 345.487 1.483 20 0 EDADLP CO[C@H](Cc1ccccc1)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000296697626 444248240 /nfs/dbraw/zinc/24/82/40/444248240.db2.gz DPTBTMAWAXPCRI-MOPGFXCFSA-N 2 2 345.487 1.483 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cn2cc[nH+]c12 ZINC000296979835 444266611 /nfs/dbraw/zinc/26/66/11/444266611.db2.gz NWVNJTQFXZMDQG-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cn2cc[nH+]c12 ZINC000296979835 444266614 /nfs/dbraw/zinc/26/66/14/444266614.db2.gz NWVNJTQFXZMDQG-KBPBESRZSA-N 2 2 331.420 1.562 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000290002635 444229507 /nfs/dbraw/zinc/22/95/07/444229507.db2.gz DHAFGJKZRFJOKJ-SQNIBIBYSA-N 2 2 331.460 1.252 20 0 EDADLP OCCN1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000303052851 444233101 /nfs/dbraw/zinc/23/31/01/444233101.db2.gz VFUZTZLSUUYAQE-UHFFFAOYSA-N 2 2 333.476 1.271 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]1CCCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000303990913 444239691 /nfs/dbraw/zinc/23/96/91/444239691.db2.gz ZARIGUYGSBXMFL-LJQANCHMSA-N 2 2 345.487 1.568 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]1CCCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000303990913 444239694 /nfs/dbraw/zinc/23/96/94/444239694.db2.gz ZARIGUYGSBXMFL-LJQANCHMSA-N 2 2 345.487 1.568 20 0 EDADLP O[C@H](COCc1ccco1)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304036159 444240555 /nfs/dbraw/zinc/24/05/55/444240555.db2.gz HUJSXOFOYVHLGC-IRXDYDNUSA-N 2 2 338.448 1.201 20 0 EDADLP O[C@H](COCc1ccco1)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304036159 444240557 /nfs/dbraw/zinc/24/05/57/444240557.db2.gz HUJSXOFOYVHLGC-IRXDYDNUSA-N 2 2 338.448 1.201 20 0 EDADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000305711451 444274431 /nfs/dbraw/zinc/27/44/31/444274431.db2.gz FLTTUQVTRTVJBI-QZTJIDSGSA-N 2 2 349.450 1.582 20 0 EDADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000305711451 444274433 /nfs/dbraw/zinc/27/44/33/444274433.db2.gz FLTTUQVTRTVJBI-QZTJIDSGSA-N 2 2 349.450 1.582 20 0 EDADLP O[C@@]1(c2nc(C3CC3)no2)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000290390777 444275421 /nfs/dbraw/zinc/27/54/21/444275421.db2.gz IVHLOIIAYQGCSK-KRWDZBQOSA-N 2 2 325.372 1.688 20 0 EDADLP O[C@@]1(c2nc(C3CC3)no2)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000290390777 444275423 /nfs/dbraw/zinc/27/54/23/444275423.db2.gz IVHLOIIAYQGCSK-KRWDZBQOSA-N 2 2 325.372 1.688 20 0 EDADLP C[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000323475660 444343262 /nfs/dbraw/zinc/34/32/62/444343262.db2.gz MYVIKUJVAWWWCZ-UYAOXDASSA-N 2 2 347.503 1.133 20 0 EDADLP C[C@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323475660 444343263 /nfs/dbraw/zinc/34/32/63/444343263.db2.gz MYVIKUJVAWWWCZ-UYAOXDASSA-N 2 2 347.503 1.133 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328805825 444359382 /nfs/dbraw/zinc/35/93/82/444359382.db2.gz HTHOMGRBRMEPCR-KSSFIOAISA-N 2 2 336.480 1.566 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328805825 444359387 /nfs/dbraw/zinc/35/93/87/444359387.db2.gz HTHOMGRBRMEPCR-KSSFIOAISA-N 2 2 336.480 1.566 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000328805825 444359393 /nfs/dbraw/zinc/35/93/93/444359393.db2.gz HTHOMGRBRMEPCR-KSSFIOAISA-N 2 2 336.480 1.566 20 0 EDADLP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328805825 444359398 /nfs/dbraw/zinc/35/93/98/444359398.db2.gz HTHOMGRBRMEPCR-KSSFIOAISA-N 2 2 336.480 1.566 20 0 EDADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000328807696 444359430 /nfs/dbraw/zinc/35/94/30/444359430.db2.gz DQJDDOHCVYMQAW-BZUAXINKSA-N 2 2 345.491 1.079 20 0 EDADLP CCN(C(C)=O)c1nc(C[NH+]2CCC(OCCC[NH3+])CC2)cs1 ZINC000321507734 444336419 /nfs/dbraw/zinc/33/64/19/444336419.db2.gz JSJDGVWTWVHDCX-UHFFFAOYSA-N 2 2 340.493 1.846 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000340505334 444414411 /nfs/dbraw/zinc/41/44/11/444414411.db2.gz GVHHJGBXSIFGEA-RTBURBONSA-N 2 2 343.475 1.937 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000340505334 444414414 /nfs/dbraw/zinc/41/44/14/444414414.db2.gz GVHHJGBXSIFGEA-RTBURBONSA-N 2 2 343.475 1.937 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000337741919 444383966 /nfs/dbraw/zinc/38/39/66/444383966.db2.gz DHJFCEZFSXEPGE-INIZCTEOSA-N 2 2 326.462 1.530 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000337741919 444383971 /nfs/dbraw/zinc/38/39/71/444383971.db2.gz DHJFCEZFSXEPGE-INIZCTEOSA-N 2 2 326.462 1.530 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000328912019 444398649 /nfs/dbraw/zinc/39/86/49/444398649.db2.gz ORZFAXVIGTWMMJ-GJZGRUSLSA-N 2 2 325.478 1.907 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000328912019 444398652 /nfs/dbraw/zinc/39/86/52/444398652.db2.gz ORZFAXVIGTWMMJ-GJZGRUSLSA-N 2 2 325.478 1.907 20 0 EDADLP C[C@H](c1cccc(NC(=O)N2CC[NH2+][C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000331845130 444488976 /nfs/dbraw/zinc/48/89/76/444488976.db2.gz VCPDXJXHFOLJLS-HUUCEWRRSA-N 2 2 332.448 1.905 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH2+]Cc3c[nH+]c(C)n3C)C2=O)cc1 ZINC000580096544 322010549 /nfs/dbraw/zinc/01/05/49/322010549.db2.gz IRAQEMAUGHZKIU-QGZVFWFLSA-N 2 2 328.416 1.628 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCSCc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000580292718 322031858 /nfs/dbraw/zinc/03/18/58/322031858.db2.gz DISWZAXHVXGBDZ-AWEZNQCLSA-N 2 2 340.468 1.343 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCSCc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000580292718 322031859 /nfs/dbraw/zinc/03/18/59/322031859.db2.gz DISWZAXHVXGBDZ-AWEZNQCLSA-N 2 2 340.468 1.343 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CC(F)(F)C[NH3+])c1 ZINC000580340807 322039874 /nfs/dbraw/zinc/03/98/74/322039874.db2.gz WGQPBPYCUBAJNQ-CYBMUJFWSA-N 2 2 340.374 1.059 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CC(F)(F)C[NH3+])c1 ZINC000580340807 322039876 /nfs/dbraw/zinc/03/98/76/322039876.db2.gz WGQPBPYCUBAJNQ-CYBMUJFWSA-N 2 2 340.374 1.059 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)ccc2n1C ZINC000580712552 322086132 /nfs/dbraw/zinc/08/61/32/322086132.db2.gz KJTTUKYLHNIUNB-CYBMUJFWSA-N 2 2 339.403 1.478 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580941581 322114599 /nfs/dbraw/zinc/11/45/99/322114599.db2.gz VFOBZUGOCKGVFA-IYBDPMFKSA-N 2 2 343.475 1.691 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000340772083 444505564 /nfs/dbraw/zinc/50/55/64/444505564.db2.gz JODUICCGUJOTOK-OAHLLOKOSA-N 2 2 349.479 1.003 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000338084421 444511515 /nfs/dbraw/zinc/51/15/15/444511515.db2.gz RTEFUQZVIGWGQW-HOTGVXAUSA-N 2 2 333.480 1.152 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000338084421 444511519 /nfs/dbraw/zinc/51/15/19/444511519.db2.gz RTEFUQZVIGWGQW-HOTGVXAUSA-N 2 2 333.480 1.152 20 0 EDADLP CN(Cc1ccccc1Br)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342146415 444534182 /nfs/dbraw/zinc/53/41/82/444534182.db2.gz SUSNBJLFTBQZAC-UHFFFAOYSA-N 2 2 340.265 1.879 20 0 EDADLP CC[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@@H+]1CCOC ZINC000343754484 444566642 /nfs/dbraw/zinc/56/66/42/444566642.db2.gz JQJYHVVSZAVTLN-INIZCTEOSA-N 2 2 330.432 1.446 20 0 EDADLP CC[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@H+]1CCOC ZINC000343754484 444566645 /nfs/dbraw/zinc/56/66/45/444566645.db2.gz JQJYHVVSZAVTLN-INIZCTEOSA-N 2 2 330.432 1.446 20 0 EDADLP CC[C@@]1(C)COCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000340913599 444572668 /nfs/dbraw/zinc/57/26/68/444572668.db2.gz TWKYDYDOTKZPBR-IBGZPJMESA-N 2 2 346.475 1.621 20 0 EDADLP CC[C@@]1(C)COCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000340913599 444572671 /nfs/dbraw/zinc/57/26/71/444572671.db2.gz TWKYDYDOTKZPBR-IBGZPJMESA-N 2 2 346.475 1.621 20 0 EDADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CCOCC1 ZINC000332932705 444601449 /nfs/dbraw/zinc/60/14/49/444601449.db2.gz HZRFKEJMLKVLKN-JKSUJKDBSA-N 2 2 349.479 1.102 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCCCn1cc[nH+]c1C)[NH+]1CCOCC1 ZINC000338323478 444632360 /nfs/dbraw/zinc/63/23/60/444632360.db2.gz CQLXKCQRGXJABM-KRWDZBQOSA-N 2 2 336.480 1.835 20 0 EDADLP CC(C)C[C@@H](CNc1ncnc2c1C[N@H+](C)CC2)[NH+]1CCOCC1 ZINC000329502092 444606225 /nfs/dbraw/zinc/60/62/25/444606225.db2.gz KQOGRIJDXFZEQY-HNNXBMFYSA-N 2 2 333.480 1.623 20 0 EDADLP CC(C)C[C@@H](CNc1ncnc2c1C[N@@H+](C)CC2)[NH+]1CCOCC1 ZINC000329502092 444606232 /nfs/dbraw/zinc/60/62/32/444606232.db2.gz KQOGRIJDXFZEQY-HNNXBMFYSA-N 2 2 333.480 1.623 20 0 EDADLP Cc1ccc2nc(C[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)cn2c1 ZINC000341044951 444650552 /nfs/dbraw/zinc/65/05/52/444650552.db2.gz QBNBOIYLWRWYEX-HNNXBMFYSA-N 2 2 329.448 1.320 20 0 EDADLP Cc1ccc2nc(C[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)cn2c1 ZINC000341044951 444650557 /nfs/dbraw/zinc/65/05/57/444650557.db2.gz QBNBOIYLWRWYEX-HNNXBMFYSA-N 2 2 329.448 1.320 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C[C@H](C)O1 ZINC000343903013 444658051 /nfs/dbraw/zinc/65/80/51/444658051.db2.gz UOGYNICLJMGHGT-LZWOXQAQSA-N 2 2 349.479 1.670 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C[C@H](C)O1 ZINC000343903013 444658056 /nfs/dbraw/zinc/65/80/56/444658056.db2.gz UOGYNICLJMGHGT-LZWOXQAQSA-N 2 2 349.479 1.670 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOCC1CC1 ZINC000342373219 444662045 /nfs/dbraw/zinc/66/20/45/444662045.db2.gz SKYKTRQWHOMPIB-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOCC1CC1 ZINC000342373219 444662050 /nfs/dbraw/zinc/66/20/50/444662050.db2.gz SKYKTRQWHOMPIB-UHFFFAOYSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N2CCn3cc[nH+]c3C2)n1 ZINC000333185829 444646587 /nfs/dbraw/zinc/64/65/87/444646587.db2.gz UDZGADQNEAXZON-RHSMWYFYSA-N 2 2 342.447 2.309 20 0 EDADLP CCOCC[N@@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CC ZINC000342471246 444705209 /nfs/dbraw/zinc/70/52/09/444705209.db2.gz LSZJEZIYOZXKRQ-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP CCOCC[N@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CC ZINC000342471246 444705214 /nfs/dbraw/zinc/70/52/14/444705214.db2.gz LSZJEZIYOZXKRQ-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP CCOCC[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CC ZINC000342471246 444705220 /nfs/dbraw/zinc/70/52/20/444705220.db2.gz LSZJEZIYOZXKRQ-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP CCOCC[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CC ZINC000342471246 444705224 /nfs/dbraw/zinc/70/52/24/444705224.db2.gz LSZJEZIYOZXKRQ-KURKYZTESA-N 2 2 325.497 1.282 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333912052 444716389 /nfs/dbraw/zinc/71/63/89/444716389.db2.gz LSDCDTUQGZPZOP-ZNMIVQPWSA-N 2 2 327.432 1.723 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000341185945 444716558 /nfs/dbraw/zinc/71/65/58/444716558.db2.gz BYFHZENWWRSRRB-HOTGVXAUSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000341185945 444716564 /nfs/dbraw/zinc/71/65/64/444716564.db2.gz BYFHZENWWRSRRB-HOTGVXAUSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000341185945 444716566 /nfs/dbraw/zinc/71/65/66/444716566.db2.gz BYFHZENWWRSRRB-HOTGVXAUSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC[NH+]1C ZINC000341185945 444716570 /nfs/dbraw/zinc/71/65/70/444716570.db2.gz BYFHZENWWRSRRB-HOTGVXAUSA-N 3 2 339.528 1.137 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000344010820 444725956 /nfs/dbraw/zinc/72/59/56/444725956.db2.gz LOXZSPCZVNBJPZ-DOTOQJQBSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC000342522767 444730020 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CN(CCC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1)CC[NH+](C)C ZINC000344039147 444744851 /nfs/dbraw/zinc/74/48/51/444744851.db2.gz UEHOPBLKKZZNHL-UHFFFAOYSA-N 2 2 342.434 1.719 20 0 EDADLP CN(CCC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1)CC[NH+](C)C ZINC000344039147 444744852 /nfs/dbraw/zinc/74/48/52/444744852.db2.gz UEHOPBLKKZZNHL-UHFFFAOYSA-N 2 2 342.434 1.719 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C1(C)C ZINC000344138532 444802029 /nfs/dbraw/zinc/80/20/29/444802029.db2.gz NQFFWWSDAKGLMS-IAGOWNOFSA-N 2 2 327.513 1.170 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)C(C)C ZINC000338713297 444817550 /nfs/dbraw/zinc/81/75/50/444817550.db2.gz PYEJFGHXEVFCTG-UHFFFAOYSA-N 2 2 349.479 1.448 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)C(C)C ZINC000338713297 444817552 /nfs/dbraw/zinc/81/75/52/444817552.db2.gz PYEJFGHXEVFCTG-UHFFFAOYSA-N 2 2 349.479 1.448 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC[NH2+]CC1(F)F ZINC000342695802 444819614 /nfs/dbraw/zinc/81/96/14/444819614.db2.gz QAHQFCPMVCOZDN-OAHLLOKOSA-N 2 2 338.402 1.407 20 0 EDADLP CC[NH+]1CCN(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000344119616 444791121 /nfs/dbraw/zinc/79/11/21/444791121.db2.gz VBBRCUDUVBOVCP-UHFFFAOYSA-N 2 2 346.475 1.095 20 0 EDADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@H]1CC[NH2+]CC1(F)F ZINC000342702421 444823451 /nfs/dbraw/zinc/82/34/51/444823451.db2.gz JYKVGUJKSUSKHF-OAHLLOKOSA-N 2 2 348.397 1.987 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+]CC2(F)F)c[nH+]1 ZINC000342721573 444834100 /nfs/dbraw/zinc/83/41/00/444834100.db2.gz ZZHFKZQVOGZEEZ-CYBMUJFWSA-N 2 2 326.391 1.789 20 0 EDADLP CC(C)(C)c1ncc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)cn1 ZINC000342724253 444835797 /nfs/dbraw/zinc/83/57/97/444835797.db2.gz GGVFGDMOQURGND-UHFFFAOYSA-N 2 2 349.523 1.254 20 0 EDADLP Cn1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nn1 ZINC000344245901 444860388 /nfs/dbraw/zinc/86/03/88/444860388.db2.gz BCSDXMTZCPDSLR-UHFFFAOYSA-N 2 2 348.882 1.770 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000342858036 444898264 /nfs/dbraw/zinc/89/82/64/444898264.db2.gz MSZNQYAYZOGZKL-QZTJIDSGSA-N 2 2 327.432 1.481 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000342858036 444898269 /nfs/dbraw/zinc/89/82/69/444898269.db2.gz MSZNQYAYZOGZKL-QZTJIDSGSA-N 2 2 327.432 1.481 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000344336964 444905030 /nfs/dbraw/zinc/90/50/30/444905030.db2.gz CHKGBCXUVCOKQK-SJLPKXTDSA-N 2 2 336.524 1.251 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000344336964 444905032 /nfs/dbraw/zinc/90/50/32/444905032.db2.gz CHKGBCXUVCOKQK-SJLPKXTDSA-N 2 2 336.524 1.251 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337068982 444927956 /nfs/dbraw/zinc/92/79/56/444927956.db2.gz LWMPQDNOSXNDQD-HOTGVXAUSA-N 2 2 332.448 1.287 20 0 EDADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337068982 444927961 /nfs/dbraw/zinc/92/79/61/444927961.db2.gz LWMPQDNOSXNDQD-HOTGVXAUSA-N 2 2 332.448 1.287 20 0 EDADLP CC[C@@H](C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(=O)OC ZINC000337230671 444995446 /nfs/dbraw/zinc/99/54/46/444995446.db2.gz IOWUEMYETPMPOL-CQSZACIVSA-N 2 2 327.469 1.249 20 0 EDADLP CC[C@@H](C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(=O)OC ZINC000337230671 444995450 /nfs/dbraw/zinc/99/54/50/444995450.db2.gz IOWUEMYETPMPOL-CQSZACIVSA-N 2 2 327.469 1.249 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000341801581 445008483 /nfs/dbraw/zinc/00/84/83/445008483.db2.gz ONFUQCPXWPJWGU-LZWOXQAQSA-N 2 2 332.448 1.121 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000341801581 445008486 /nfs/dbraw/zinc/00/84/86/445008486.db2.gz ONFUQCPXWPJWGU-LZWOXQAQSA-N 2 2 332.448 1.121 20 0 EDADLP Cc1ccc(CCC[N@H+]2C[C@@H](F)C[C@@H]2C(=O)N2CCOCC2)cn1 ZINC000344497422 445011768 /nfs/dbraw/zinc/01/17/68/445011768.db2.gz NCNZGPLYCSPJJV-DLBZAZTESA-N 2 2 335.423 1.594 20 0 EDADLP Cc1ccc(CCC[N@@H+]2C[C@@H](F)C[C@@H]2C(=O)N2CCOCC2)c[nH+]1 ZINC000344497422 445011772 /nfs/dbraw/zinc/01/17/72/445011772.db2.gz NCNZGPLYCSPJJV-DLBZAZTESA-N 2 2 335.423 1.594 20 0 EDADLP Cc1ccc(CCC[N@H+]2C[C@@H](F)C[C@@H]2C(=O)N2CCOCC2)c[nH+]1 ZINC000344497422 445011775 /nfs/dbraw/zinc/01/17/75/445011775.db2.gz NCNZGPLYCSPJJV-DLBZAZTESA-N 2 2 335.423 1.594 20 0 EDADLP O=C(NCC[NH+]1CCC1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000337377933 445054837 /nfs/dbraw/zinc/05/48/37/445054837.db2.gz BMUCONWMBCQZAN-UHFFFAOYSA-N 2 2 332.448 1.024 20 0 EDADLP CC[C@H](C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)[NH+](CC)CC ZINC000342031052 445133963 /nfs/dbraw/zinc/13/39/63/445133963.db2.gz GDSUOBLSQHINDF-HUUCEWRRSA-N 2 2 327.469 1.203 20 0 EDADLP CC[C@H](C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)[NH+](CC)CC ZINC000342031052 445133964 /nfs/dbraw/zinc/13/39/64/445133964.db2.gz GDSUOBLSQHINDF-HUUCEWRRSA-N 2 2 327.469 1.203 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000337485056 445100415 /nfs/dbraw/zinc/10/04/15/445100415.db2.gz YCXCLFXLCBYGCU-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000337485056 445100418 /nfs/dbraw/zinc/10/04/18/445100418.db2.gz YCXCLFXLCBYGCU-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000339247283 445112520 /nfs/dbraw/zinc/11/25/20/445112520.db2.gz FJWPXNILKYZMFD-CJNGLKHVSA-N 2 2 349.479 1.084 20 0 EDADLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000339247283 445112524 /nfs/dbraw/zinc/11/25/24/445112524.db2.gz FJWPXNILKYZMFD-CJNGLKHVSA-N 2 2 349.479 1.084 20 0 EDADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000339247283 445112528 /nfs/dbraw/zinc/11/25/28/445112528.db2.gz FJWPXNILKYZMFD-CJNGLKHVSA-N 2 2 349.479 1.084 20 0 EDADLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000339247283 445112530 /nfs/dbraw/zinc/11/25/30/445112530.db2.gz FJWPXNILKYZMFD-CJNGLKHVSA-N 2 2 349.479 1.084 20 0 EDADLP CCc1ccc([C@@H]2CN(C(=O)[C@@H](C)N3CC[NH+](C)CC3)CC[NH2+]2)cc1 ZINC000337609135 445164933 /nfs/dbraw/zinc/16/49/33/445164933.db2.gz WZXGDRDMWSMMSG-APWZRJJASA-N 2 2 344.503 1.358 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1)CCC2 ZINC000337581391 445149467 /nfs/dbraw/zinc/14/94/67/445149467.db2.gz BNECDNMSDQKILN-ZBFHGGJFSA-N 2 2 349.479 1.336 20 0 EDADLP CCc1ccc([C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000337597144 445158173 /nfs/dbraw/zinc/15/81/73/445158173.db2.gz BNCRSUMYUSSBNP-LPHOPBHVSA-N 2 2 345.487 1.690 20 0 EDADLP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000346277159 445210857 /nfs/dbraw/zinc/21/08/57/445210857.db2.gz DZFQQLGJCBTLTA-OALUTQOASA-N 2 2 343.471 1.442 20 0 EDADLP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000346277159 445210858 /nfs/dbraw/zinc/21/08/58/445210858.db2.gz DZFQQLGJCBTLTA-OALUTQOASA-N 2 2 343.471 1.442 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)c[nH]1 ZINC000343395997 445215414 /nfs/dbraw/zinc/21/54/14/445215414.db2.gz JOQJSYBGUUAZTI-YOEHRIQHSA-N 2 2 345.447 1.708 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)c[nH]1 ZINC000343395997 445215417 /nfs/dbraw/zinc/21/54/17/445215417.db2.gz JOQJSYBGUUAZTI-YOEHRIQHSA-N 2 2 345.447 1.708 20 0 EDADLP CC(C)N1CC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)C1=O ZINC000346910793 445227757 /nfs/dbraw/zinc/22/77/57/445227757.db2.gz CWIOHASPKZSCKR-BPQIPLTHSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)[C@H]2c2ccnn2C)C1=O ZINC000346910793 445227759 /nfs/dbraw/zinc/22/77/59/445227759.db2.gz CWIOHASPKZSCKR-BPQIPLTHSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000346910793 445227760 /nfs/dbraw/zinc/22/77/60/445227760.db2.gz CWIOHASPKZSCKR-BPQIPLTHSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000346910793 445227762 /nfs/dbraw/zinc/22/77/62/445227762.db2.gz CWIOHASPKZSCKR-BPQIPLTHSA-N 2 2 347.507 1.744 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CC(=O)N2CCCCC2)CCC[NH+]1C ZINC000346929081 445228298 /nfs/dbraw/zinc/22/82/98/445228298.db2.gz NKYZTQDKXQZIPY-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)N2CCCCC2)CCC[N@@H+]1C ZINC000346929081 445228299 /nfs/dbraw/zinc/22/82/99/445228299.db2.gz NKYZTQDKXQZIPY-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)N2CCCCC2)CCC[N@H+]1C ZINC000346929081 445228300 /nfs/dbraw/zinc/22/83/00/445228300.db2.gz NKYZTQDKXQZIPY-QFBILLFUSA-N 2 2 347.507 1.747 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000343527742 445239187 /nfs/dbraw/zinc/23/91/87/445239187.db2.gz LHFMVSOSWSRMKF-WBVHZDCISA-N 2 2 328.464 1.510 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343550562 445242407 /nfs/dbraw/zinc/24/24/07/445242407.db2.gz BZNHMYFXGYMUGM-KRWDZBQOSA-N 2 2 346.475 1.518 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343550562 445242409 /nfs/dbraw/zinc/24/24/09/445242409.db2.gz BZNHMYFXGYMUGM-KRWDZBQOSA-N 2 2 346.475 1.518 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2ccccn2)cc[nH+]1 ZINC000348184382 445309024 /nfs/dbraw/zinc/30/90/24/445309024.db2.gz WHWNJKDHWBJQEN-HOCLYGCPSA-N 2 2 344.438 1.986 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2ccccn2)cc[nH+]1 ZINC000348184382 445309027 /nfs/dbraw/zinc/30/90/27/445309027.db2.gz WHWNJKDHWBJQEN-HOCLYGCPSA-N 2 2 344.438 1.986 20 0 EDADLP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000354610228 445313181 /nfs/dbraw/zinc/31/31/81/445313181.db2.gz YPJUXXGXGAGRQW-IBGZPJMESA-N 2 2 343.471 1.584 20 0 EDADLP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000354610228 445313184 /nfs/dbraw/zinc/31/31/84/445313184.db2.gz YPJUXXGXGAGRQW-IBGZPJMESA-N 2 2 343.471 1.584 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC000348109406 445272521 /nfs/dbraw/zinc/27/25/21/445272521.db2.gz AUSKNZBBRHZFSZ-VNQPRFMTSA-N 2 2 349.454 1.028 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC000348109406 445272523 /nfs/dbraw/zinc/27/25/23/445272523.db2.gz AUSKNZBBRHZFSZ-VNQPRFMTSA-N 2 2 349.454 1.028 20 0 EDADLP CCOC(=O)[C@H](CC)[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348113746 445274571 /nfs/dbraw/zinc/27/45/71/445274571.db2.gz ANXBXCKVRFVQQZ-ZNMIVQPWSA-N 2 2 340.443 1.606 20 0 EDADLP CCOC(=O)[C@H](CC)[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348113746 445274574 /nfs/dbraw/zinc/27/45/74/445274574.db2.gz ANXBXCKVRFVQQZ-ZNMIVQPWSA-N 2 2 340.443 1.606 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343644100 445278550 /nfs/dbraw/zinc/27/85/50/445278550.db2.gz OASMLSVYEIHWKY-VVLHAWIVSA-N 2 2 328.460 1.849 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343644100 445278554 /nfs/dbraw/zinc/27/85/54/445278554.db2.gz OASMLSVYEIHWKY-VVLHAWIVSA-N 2 2 328.460 1.849 20 0 EDADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@]1(CO)CCOC1 ZINC000351731910 445297276 /nfs/dbraw/zinc/29/72/76/445297276.db2.gz YRJGQUMDDZGJBE-IBGZPJMESA-N 2 2 333.476 1.282 20 0 EDADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@]1(CO)CCOC1 ZINC000351731910 445297279 /nfs/dbraw/zinc/29/72/79/445297279.db2.gz YRJGQUMDDZGJBE-IBGZPJMESA-N 2 2 333.476 1.282 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000348261649 445331296 /nfs/dbraw/zinc/33/12/96/445331296.db2.gz PXPCDMCCASECLN-CEXWTWQISA-N 2 2 343.471 1.313 20 0 EDADLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000348822324 445401836 /nfs/dbraw/zinc/40/18/36/445401836.db2.gz ZGWSZFWBJJRMPK-SJORKVTESA-N 2 2 339.528 1.042 20 0 EDADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000348822324 445401840 /nfs/dbraw/zinc/40/18/40/445401840.db2.gz ZGWSZFWBJJRMPK-SJORKVTESA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357075851 445410349 /nfs/dbraw/zinc/41/03/49/445410349.db2.gz JHEFZGBLMUZWTN-HZSPNIEDSA-N 2 2 331.416 1.326 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357075851 445410354 /nfs/dbraw/zinc/41/03/54/445410354.db2.gz JHEFZGBLMUZWTN-HZSPNIEDSA-N 2 2 331.416 1.326 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348809924 445394847 /nfs/dbraw/zinc/39/48/47/445394847.db2.gz PUIDUSFZMJKLTJ-ZWKOTPCHSA-N 2 2 349.450 1.752 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348809924 445394852 /nfs/dbraw/zinc/39/48/52/445394852.db2.gz PUIDUSFZMJKLTJ-ZWKOTPCHSA-N 2 2 349.450 1.752 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000348911796 445438338 /nfs/dbraw/zinc/43/83/38/445438338.db2.gz NOEXVBVQEBZIMV-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000348911796 445438342 /nfs/dbraw/zinc/43/83/42/445438342.db2.gz NOEXVBVQEBZIMV-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000348911796 445438348 /nfs/dbraw/zinc/43/83/48/445438348.db2.gz NOEXVBVQEBZIMV-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000348911796 445438354 /nfs/dbraw/zinc/43/83/54/445438354.db2.gz NOEXVBVQEBZIMV-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000357121257 445439091 /nfs/dbraw/zinc/43/90/91/445439091.db2.gz MOHUHOMHOJKZDE-KRWDZBQOSA-N 2 2 325.497 1.822 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000357121257 445439094 /nfs/dbraw/zinc/43/90/94/445439094.db2.gz MOHUHOMHOJKZDE-KRWDZBQOSA-N 2 2 325.497 1.822 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000348932578 445446103 /nfs/dbraw/zinc/44/61/03/445446103.db2.gz YBGKJWROCIZNKW-SUMWQHHRSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000348932578 445446108 /nfs/dbraw/zinc/44/61/08/445446108.db2.gz YBGKJWROCIZNKW-SUMWQHHRSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000348932578 445446111 /nfs/dbraw/zinc/44/61/11/445446111.db2.gz YBGKJWROCIZNKW-SUMWQHHRSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000348932578 445446116 /nfs/dbraw/zinc/44/61/16/445446116.db2.gz YBGKJWROCIZNKW-SUMWQHHRSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000348932576 445446551 /nfs/dbraw/zinc/44/65/51/445446551.db2.gz YBGKJWROCIZNKW-DYVFJYSZSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000348932576 445446556 /nfs/dbraw/zinc/44/65/56/445446556.db2.gz YBGKJWROCIZNKW-DYVFJYSZSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000348932576 445446558 /nfs/dbraw/zinc/44/65/58/445446558.db2.gz YBGKJWROCIZNKW-DYVFJYSZSA-N 2 2 330.436 1.193 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000348932576 445446564 /nfs/dbraw/zinc/44/65/64/445446564.db2.gz YBGKJWROCIZNKW-DYVFJYSZSA-N 2 2 330.436 1.193 20 0 EDADLP Cn1ncc(Cl)c1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000348933690 445447528 /nfs/dbraw/zinc/44/75/28/445447528.db2.gz KAGSYSCSAJBTGO-UHFFFAOYSA-N 2 2 339.871 1.060 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000362579027 445447984 /nfs/dbraw/zinc/44/79/84/445447984.db2.gz GUTXBZIIJZTJNX-CQSZACIVSA-N 2 2 340.512 1.210 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000362579027 445447992 /nfs/dbraw/zinc/44/79/92/445447992.db2.gz GUTXBZIIJZTJNX-CQSZACIVSA-N 2 2 340.512 1.210 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000355155563 445448674 /nfs/dbraw/zinc/44/86/74/445448674.db2.gz YEVFEOQUQBJLCQ-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000355155563 445448677 /nfs/dbraw/zinc/44/86/77/445448677.db2.gz YEVFEOQUQBJLCQ-CABCVRRESA-N 2 2 326.485 1.221 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000352043800 445456876 /nfs/dbraw/zinc/45/68/76/445456876.db2.gz GFULASHCLMJZCV-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000352043800 445456879 /nfs/dbraw/zinc/45/68/79/445456879.db2.gz GFULASHCLMJZCV-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1Cc1ccccc1 ZINC000357173605 445467092 /nfs/dbraw/zinc/46/70/92/445467092.db2.gz AOSONMOTEPQQNR-HKUYNNGSSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1Cc1ccccc1 ZINC000357173605 445467096 /nfs/dbraw/zinc/46/70/96/445467096.db2.gz AOSONMOTEPQQNR-HKUYNNGSSA-N 2 2 338.455 1.831 20 0 EDADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000362709583 445512884 /nfs/dbraw/zinc/51/28/84/445512884.db2.gz BWPQRJCTYRNNON-FRYIKTPZSA-N 2 2 348.487 1.917 20 0 EDADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000362709583 445512887 /nfs/dbraw/zinc/51/28/87/445512887.db2.gz BWPQRJCTYRNNON-FRYIKTPZSA-N 2 2 348.487 1.917 20 0 EDADLP COc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362677007 445493926 /nfs/dbraw/zinc/49/39/26/445493926.db2.gz WRBGGSXQSWGIMR-CYBMUJFWSA-N 2 2 337.851 1.745 20 0 EDADLP COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362677007 445493927 /nfs/dbraw/zinc/49/39/27/445493927.db2.gz WRBGGSXQSWGIMR-CYBMUJFWSA-N 2 2 337.851 1.745 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NC(=O)NCC(F)(F)F ZINC000359952103 445502316 /nfs/dbraw/zinc/50/23/16/445502316.db2.gz INSKXRINCHADFV-NXEZZACHSA-N 2 2 347.341 1.127 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2C)CC1 ZINC000349325180 445564258 /nfs/dbraw/zinc/56/42/58/445564258.db2.gz UIRYMGMPXQNRKT-MSOLQXFVSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000349325180 445564265 /nfs/dbraw/zinc/56/42/65/445564265.db2.gz UIRYMGMPXQNRKT-MSOLQXFVSA-N 2 2 344.503 1.528 20 0 EDADLP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362824967 445566499 /nfs/dbraw/zinc/56/64/99/445566499.db2.gz DBASLDOHXOCZQD-STQMWFEESA-N 2 2 335.452 1.324 20 0 EDADLP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362824967 445566502 /nfs/dbraw/zinc/56/65/02/445566502.db2.gz DBASLDOHXOCZQD-STQMWFEESA-N 2 2 335.452 1.324 20 0 EDADLP O=C(C[N@@H+]1CCOCC2(CC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000360100043 445566793 /nfs/dbraw/zinc/56/67/93/445566793.db2.gz WDFDUWLVVXSTRT-UHFFFAOYSA-N 2 2 349.500 1.505 20 0 EDADLP O=C(C[N@H+]1CCOCC2(CC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000360100043 445566798 /nfs/dbraw/zinc/56/67/98/445566798.db2.gz WDFDUWLVVXSTRT-UHFFFAOYSA-N 2 2 349.500 1.505 20 0 EDADLP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362825650 445566977 /nfs/dbraw/zinc/56/69/77/445566977.db2.gz IUDGVHMVAULXAX-SFHVURJKSA-N 2 2 345.487 1.969 20 0 EDADLP Cc1ccc(C)c(OCCC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362825650 445566982 /nfs/dbraw/zinc/56/69/82/445566982.db2.gz IUDGVHMVAULXAX-SFHVURJKSA-N 2 2 345.487 1.969 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000362825248 445567344 /nfs/dbraw/zinc/56/73/44/445567344.db2.gz GDJWYRWMUXVFII-MRXNPFEDSA-N 2 2 335.423 1.491 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000362825248 445567345 /nfs/dbraw/zinc/56/73/45/445567345.db2.gz GDJWYRWMUXVFII-MRXNPFEDSA-N 2 2 335.423 1.491 20 0 EDADLP COC(=O)c1ccccc1CC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000360059060 445548754 /nfs/dbraw/zinc/54/87/54/445548754.db2.gz ZIVJYKRWRZLIEQ-HNNXBMFYSA-N 2 2 334.460 1.793 20 0 EDADLP COC(=O)c1ccccc1CC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000360059060 445548757 /nfs/dbraw/zinc/54/87/57/445548757.db2.gz ZIVJYKRWRZLIEQ-HNNXBMFYSA-N 2 2 334.460 1.793 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353492966 445627659 /nfs/dbraw/zinc/62/76/59/445627659.db2.gz QREOWDNUBNZUDN-GUDVDZBRSA-N 3 2 343.519 1.796 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353492966 445627665 /nfs/dbraw/zinc/62/76/65/445627665.db2.gz QREOWDNUBNZUDN-GUDVDZBRSA-N 3 2 343.519 1.796 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000362997370 445643405 /nfs/dbraw/zinc/64/34/05/445643405.db2.gz POYJDCYPLRELLI-HNNXBMFYSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000362997370 445643409 /nfs/dbraw/zinc/64/34/09/445643409.db2.gz POYJDCYPLRELLI-HNNXBMFYSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000362997370 445643413 /nfs/dbraw/zinc/64/34/13/445643413.db2.gz POYJDCYPLRELLI-HNNXBMFYSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000362997370 445643416 /nfs/dbraw/zinc/64/34/16/445643416.db2.gz POYJDCYPLRELLI-HNNXBMFYSA-N 2 2 349.479 1.036 20 0 EDADLP Cc1ccc(C(C)(C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000353583266 445666301 /nfs/dbraw/zinc/66/63/01/445666301.db2.gz XJYYOAPRLLLXQF-UHFFFAOYSA-N 2 2 348.491 1.442 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NCC[N@@H+]2CCOC[C@H]2C)([NH+](C)C)C1 ZINC000356185594 445667428 /nfs/dbraw/zinc/66/74/28/445667428.db2.gz FDTRYRVVPFDRCH-JFIYKMOQSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)NCC[N@H+]2CCOC[C@H]2C)([NH+](C)C)C1 ZINC000356185594 445667433 /nfs/dbraw/zinc/66/74/33/445667433.db2.gz FDTRYRVVPFDRCH-JFIYKMOQSA-N 2 2 340.512 1.517 20 0 EDADLP OCc1cn(CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)nn1 ZINC000353561841 445657668 /nfs/dbraw/zinc/65/76/68/445657668.db2.gz AVBNEIYQDUUJOH-UHFFFAOYSA-N 2 2 335.374 1.167 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000363093972 445674801 /nfs/dbraw/zinc/67/48/01/445674801.db2.gz OTDDQSAKDLQQPH-CYBMUJFWSA-N 2 2 339.509 1.747 20 0 EDADLP COC[C@@H](C)[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000360314572 445691596 /nfs/dbraw/zinc/69/15/96/445691596.db2.gz FUSUYSCNZIIAMB-SJORKVTESA-N 2 2 339.524 1.972 20 0 EDADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ccc(C(N)=O)cc3)CCC[N@@H+]2C)cn1 ZINC000363177649 445708641 /nfs/dbraw/zinc/70/86/41/445708641.db2.gz WPQVQVHFRDRTKH-AEFFLSMTSA-N 2 2 341.459 1.692 20 0 EDADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ccc(C(N)=O)cc3)CCC[N@H+]2C)cn1 ZINC000363177649 445708643 /nfs/dbraw/zinc/70/86/43/445708643.db2.gz WPQVQVHFRDRTKH-AEFFLSMTSA-N 2 2 341.459 1.692 20 0 EDADLP CO[C@H](C)[C@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360685125 445721406 /nfs/dbraw/zinc/72/14/06/445721406.db2.gz WDKJXCGNLUGPPM-QLFBSQMISA-N 2 2 326.485 1.220 20 0 EDADLP CO[C@H](C)[C@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360685125 445721408 /nfs/dbraw/zinc/72/14/08/445721408.db2.gz WDKJXCGNLUGPPM-QLFBSQMISA-N 2 2 326.485 1.220 20 0 EDADLP CN(C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCCCC1 ZINC000363217623 445724740 /nfs/dbraw/zinc/72/47/40/445724740.db2.gz ALWBLMFSJBAEGP-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP CN(C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CCCCC1 ZINC000363217623 445724745 /nfs/dbraw/zinc/72/47/45/445724745.db2.gz ALWBLMFSJBAEGP-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP CCCC[C@H](COC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363236321 445734618 /nfs/dbraw/zinc/73/46/18/445734618.db2.gz OZQPZLXTJCZKEK-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP CCCC[C@H](COC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363236321 445734624 /nfs/dbraw/zinc/73/46/24/445734624.db2.gz OZQPZLXTJCZKEK-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)N1CCc2ccccc2C1 ZINC000363256290 445742889 /nfs/dbraw/zinc/74/28/89/445742889.db2.gz JCOVVXUHWUBZTA-HSALFYBXSA-N 2 2 339.483 1.987 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)N1CCc2ccccc2C1 ZINC000363256290 445742892 /nfs/dbraw/zinc/74/28/92/445742892.db2.gz JCOVVXUHWUBZTA-HSALFYBXSA-N 2 2 339.483 1.987 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)N1CCc2ccccc2C1 ZINC000363256290 445742894 /nfs/dbraw/zinc/74/28/94/445742894.db2.gz JCOVVXUHWUBZTA-HSALFYBXSA-N 2 2 339.483 1.987 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)N1CCc2ccccc2C1 ZINC000363256290 445742897 /nfs/dbraw/zinc/74/28/97/445742897.db2.gz JCOVVXUHWUBZTA-HSALFYBXSA-N 2 2 339.483 1.987 20 0 EDADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C[C@H]4CCOC4)C3)CC2)nc1 ZINC000353939971 445819284 /nfs/dbraw/zinc/81/92/84/445819284.db2.gz PLXUFJOTUUPWOL-RBUKOAKNSA-N 2 2 344.503 1.952 20 0 EDADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C[C@H]4CCOC4)C3)CC2)nc1 ZINC000353939971 445819285 /nfs/dbraw/zinc/81/92/85/445819285.db2.gz PLXUFJOTUUPWOL-RBUKOAKNSA-N 2 2 344.503 1.952 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCc2[nH+]ccn2C)C[C@H](C)O1 ZINC000363480528 445822938 /nfs/dbraw/zinc/82/29/38/445822938.db2.gz NNMRDGHONVNQPI-ZNMIVQPWSA-N 2 2 335.452 1.203 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCc2[nH+]ccn2C)C[C@H](C)O1 ZINC000363480528 445822942 /nfs/dbraw/zinc/82/29/42/445822942.db2.gz NNMRDGHONVNQPI-ZNMIVQPWSA-N 2 2 335.452 1.203 20 0 EDADLP CN(C(=O)c1ccc(NC=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363350424 445776822 /nfs/dbraw/zinc/77/68/22/445776822.db2.gz YHITUHCDEAQJQC-SFHVURJKSA-N 2 2 344.459 1.495 20 0 EDADLP CN(C(=O)c1ccc(NC=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363350424 445776826 /nfs/dbraw/zinc/77/68/26/445776826.db2.gz YHITUHCDEAQJQC-SFHVURJKSA-N 2 2 344.459 1.495 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363496177 445832164 /nfs/dbraw/zinc/83/21/64/445832164.db2.gz ODHIKYQJHYJWEA-DLBZAZTESA-N 2 2 345.491 1.050 20 0 EDADLP O=c1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)nc2sccn21 ZINC000363414136 445793922 /nfs/dbraw/zinc/79/39/22/445793922.db2.gz KJPWTZDUTDHKHD-YUELXQCFSA-N 2 2 330.457 1.672 20 0 EDADLP O=c1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)nc2sccn21 ZINC000363414136 445793924 /nfs/dbraw/zinc/79/39/24/445793924.db2.gz KJPWTZDUTDHKHD-YUELXQCFSA-N 2 2 330.457 1.672 20 0 EDADLP O=c1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)nc2sccn21 ZINC000363414136 445793928 /nfs/dbraw/zinc/79/39/28/445793928.db2.gz KJPWTZDUTDHKHD-YUELXQCFSA-N 2 2 330.457 1.672 20 0 EDADLP O=c1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)nc2sccn21 ZINC000363414136 445793932 /nfs/dbraw/zinc/79/39/32/445793932.db2.gz KJPWTZDUTDHKHD-YUELXQCFSA-N 2 2 330.457 1.672 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363417551 445795588 /nfs/dbraw/zinc/79/55/88/445795588.db2.gz JVKDZHLIWOYZFU-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP C[NH+]1CCN(CCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000358829869 445797353 /nfs/dbraw/zinc/79/73/53/445797353.db2.gz QANIKLYRVGMGDJ-UHFFFAOYSA-N 3 2 336.446 1.630 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000361520221 445801041 /nfs/dbraw/zinc/80/10/41/445801041.db2.gz SDEMQPFNFHLMQA-HZPDHXFCSA-N 2 2 346.475 1.717 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCOCC1 ZINC000363436437 445802102 /nfs/dbraw/zinc/80/21/02/445802102.db2.gz KJUKGCYSRXIPGG-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCOCC1 ZINC000363436437 445802106 /nfs/dbraw/zinc/80/21/06/445802106.db2.gz KJUKGCYSRXIPGG-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCOCC1 ZINC000363436437 445802110 /nfs/dbraw/zinc/80/21/10/445802110.db2.gz KJUKGCYSRXIPGG-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCOCC1 ZINC000363436437 445802113 /nfs/dbraw/zinc/80/21/13/445802113.db2.gz KJUKGCYSRXIPGG-AEFFLSMTSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000350288019 445806710 /nfs/dbraw/zinc/80/67/10/445806710.db2.gz NRCHZGUKDBSHCO-SOUVJXGZSA-N 2 2 349.479 1.445 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358850549 445809353 /nfs/dbraw/zinc/80/93/53/445809353.db2.gz BSJGXUHGPNWZEQ-HZPDHXFCSA-N 2 2 341.496 1.103 20 0 EDADLP COC[C@@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000354068888 445885740 /nfs/dbraw/zinc/88/57/40/445885740.db2.gz UQSHYRIURKEFRD-CYBMUJFWSA-N 2 2 342.403 1.235 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000363505969 445835844 /nfs/dbraw/zinc/83/58/44/445835844.db2.gz DERFKPQGLNNQSX-CVEARBPZSA-N 2 2 334.464 1.627 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000363505969 445835848 /nfs/dbraw/zinc/83/58/48/445835848.db2.gz DERFKPQGLNNQSX-CVEARBPZSA-N 2 2 334.464 1.627 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000353983866 445840293 /nfs/dbraw/zinc/84/02/93/445840293.db2.gz ONOLUQHTFJWQKJ-BBRMVZONSA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000353983866 445840297 /nfs/dbraw/zinc/84/02/97/445840297.db2.gz ONOLUQHTFJWQKJ-BBRMVZONSA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000353983866 445840300 /nfs/dbraw/zinc/84/03/00/445840300.db2.gz ONOLUQHTFJWQKJ-BBRMVZONSA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000353983866 445840303 /nfs/dbraw/zinc/84/03/03/445840303.db2.gz ONOLUQHTFJWQKJ-BBRMVZONSA-N 2 2 349.479 1.082 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)N3CCn4cc[nH+]c4C3)CC2)[nH+]1 ZINC000350511419 445842026 /nfs/dbraw/zinc/84/20/26/445842026.db2.gz OQVNNTIZHBCZSH-UHFFFAOYSA-N 2 2 340.431 1.781 20 0 EDADLP CCC[NH+]1CCC(CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000356616291 445887772 /nfs/dbraw/zinc/88/77/72/445887772.db2.gz AMYFDEZPIPUDQQ-INIZCTEOSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[NH+]1CCC(CNc2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000356616291 445887775 /nfs/dbraw/zinc/88/77/75/445887775.db2.gz AMYFDEZPIPUDQQ-INIZCTEOSA-N 2 2 333.480 1.972 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000358929489 445854359 /nfs/dbraw/zinc/85/43/59/445854359.db2.gz HYOVHKWVOYESLF-ZIAGYGMSSA-N 2 2 325.478 1.696 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000358929489 445854363 /nfs/dbraw/zinc/85/43/63/445854363.db2.gz HYOVHKWVOYESLF-ZIAGYGMSSA-N 2 2 325.478 1.696 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000361667425 445869242 /nfs/dbraw/zinc/86/92/42/445869242.db2.gz QEYWZWVKGNGGJE-HOTGVXAUSA-N 2 2 334.464 1.454 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000361667425 445869245 /nfs/dbraw/zinc/86/92/45/445869245.db2.gz QEYWZWVKGNGGJE-HOTGVXAUSA-N 2 2 334.464 1.454 20 0 EDADLP NC(=O)N1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000365986151 445943615 /nfs/dbraw/zinc/94/36/15/445943615.db2.gz FJDIJALQIVHGHJ-GOSISDBHSA-N 2 2 346.475 1.364 20 0 EDADLP NC(=O)N1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365986151 445943628 /nfs/dbraw/zinc/94/36/28/445943628.db2.gz FJDIJALQIVHGHJ-GOSISDBHSA-N 2 2 346.475 1.364 20 0 EDADLP NC(=O)N1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365986151 445943635 /nfs/dbraw/zinc/94/36/35/445943635.db2.gz FJDIJALQIVHGHJ-GOSISDBHSA-N 2 2 346.475 1.364 20 0 EDADLP COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000364231498 445904368 /nfs/dbraw/zinc/90/43/68/445904368.db2.gz MDUZNQQXMDGNET-ZDUSSCGKSA-N 2 2 333.432 1.299 20 0 EDADLP COc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000364231498 445904373 /nfs/dbraw/zinc/90/43/73/445904373.db2.gz MDUZNQQXMDGNET-ZDUSSCGKSA-N 2 2 333.432 1.299 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000372977756 445955275 /nfs/dbraw/zinc/95/52/75/445955275.db2.gz LKNFONOGGQRYRK-RDTXWAMCSA-N 2 2 329.448 1.996 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000372977756 445955278 /nfs/dbraw/zinc/95/52/78/445955278.db2.gz LKNFONOGGQRYRK-RDTXWAMCSA-N 2 2 329.448 1.996 20 0 EDADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000366006993 445957863 /nfs/dbraw/zinc/95/78/63/445957863.db2.gz NFCNYIKQGCOTJF-GOEBONIOSA-N 2 2 333.480 1.790 20 0 EDADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000366006993 445957869 /nfs/dbraw/zinc/95/78/69/445957869.db2.gz NFCNYIKQGCOTJF-GOEBONIOSA-N 2 2 333.480 1.790 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000364962949 445970445 /nfs/dbraw/zinc/97/04/45/445970445.db2.gz MHJDXUQTGFEFSG-IAGOWNOFSA-N 2 2 328.522 1.865 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000364962949 445970452 /nfs/dbraw/zinc/97/04/52/445970452.db2.gz MHJDXUQTGFEFSG-IAGOWNOFSA-N 2 2 328.522 1.865 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c[nH+]1 ZINC000582593837 325881018 /nfs/dbraw/zinc/88/10/18/325881018.db2.gz MQTCZAPKHFGLBS-CYBMUJFWSA-N 2 2 345.369 1.078 20 0 EDADLP CCCn1ncnc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000366129629 446031484 /nfs/dbraw/zinc/03/14/84/446031484.db2.gz DXVLYZHFZBWQNM-UHFFFAOYSA-N 2 2 334.512 1.679 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCOc3ccccc3F)C2)CC1 ZINC000369273876 446037211 /nfs/dbraw/zinc/03/72/11/446037211.db2.gz KJUZHLLVEDECEW-HNNXBMFYSA-N 2 2 349.450 1.879 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCOc3ccccc3F)C2)CC1 ZINC000369273876 446037214 /nfs/dbraw/zinc/03/72/14/446037214.db2.gz KJUZHLLVEDECEW-HNNXBMFYSA-N 2 2 349.450 1.879 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000365123073 446040025 /nfs/dbraw/zinc/04/00/25/446040025.db2.gz UEFMQUYXAUANAI-OAHLLOKOSA-N 2 2 349.479 1.513 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000365123073 446040029 /nfs/dbraw/zinc/04/00/29/446040029.db2.gz UEFMQUYXAUANAI-OAHLLOKOSA-N 2 2 349.479 1.513 20 0 EDADLP Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)sc1C ZINC000369280124 446046133 /nfs/dbraw/zinc/04/61/33/446046133.db2.gz ONRMOZLJKXBECI-OAHLLOKOSA-N 2 2 336.505 1.713 20 0 EDADLP Cc1nc([C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)sc1C ZINC000369280124 446046140 /nfs/dbraw/zinc/04/61/40/446046140.db2.gz ONRMOZLJKXBECI-OAHLLOKOSA-N 2 2 336.505 1.713 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@H]3C[C@@H]([NH3+])C3)CCCCCC2)no1 ZINC000583696515 326121962 /nfs/dbraw/zinc/12/19/62/326121962.db2.gz YPNAIGPWPKQDCY-BETUJISGSA-N 2 2 335.452 1.534 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000583761989 326135537 /nfs/dbraw/zinc/13/55/37/326135537.db2.gz HZNIBAPAXGDJGK-PKOBYXMFSA-N 2 2 345.487 1.826 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[NH+]2CCOCC2)cc1 ZINC000583761989 326135540 /nfs/dbraw/zinc/13/55/40/326135540.db2.gz HZNIBAPAXGDJGK-PKOBYXMFSA-N 2 2 345.487 1.826 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000583888047 326160469 /nfs/dbraw/zinc/16/04/69/326160469.db2.gz QOLNSZBBXKTNKA-MGPQQGTHSA-N 2 2 343.518 1.298 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000583888047 326160471 /nfs/dbraw/zinc/16/04/71/326160471.db2.gz QOLNSZBBXKTNKA-MGPQQGTHSA-N 2 2 343.518 1.298 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000583888045 326160506 /nfs/dbraw/zinc/16/05/06/326160506.db2.gz QOLNSZBBXKTNKA-HZSPNIEDSA-N 2 2 343.518 1.298 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000583888045 326160509 /nfs/dbraw/zinc/16/05/09/326160509.db2.gz QOLNSZBBXKTNKA-HZSPNIEDSA-N 2 2 343.518 1.298 20 0 EDADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COc1cccc2[nH]ccc21 ZINC000584048953 326189778 /nfs/dbraw/zinc/18/97/78/326189778.db2.gz QREKVSFAOJWKTA-QWHCGFSZSA-N 2 2 326.400 1.778 20 0 EDADLP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)COc1cccc2[nH]ccc21 ZINC000584048953 326189781 /nfs/dbraw/zinc/18/97/81/326189781.db2.gz QREKVSFAOJWKTA-QWHCGFSZSA-N 2 2 326.400 1.778 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]C1 ZINC000584161945 326211152 /nfs/dbraw/zinc/21/11/52/326211152.db2.gz QHXPYUCLJFQCRR-WMZOPIPTSA-N 2 2 346.475 1.359 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000584221977 326223028 /nfs/dbraw/zinc/22/30/28/326223028.db2.gz NFIGJAKCQKIHSD-IXDOHACOSA-N 2 2 343.475 1.610 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000359230035 446060596 /nfs/dbraw/zinc/06/05/96/446060596.db2.gz OZURUJKGGKSPOQ-UONOGXRCSA-N 2 2 330.432 1.563 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359237920 446070954 /nfs/dbraw/zinc/07/09/54/446070954.db2.gz MYFPUPAVCHBMBA-DNVCBOLYSA-N 2 2 345.466 1.874 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cccc(O)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373169259 446071019 /nfs/dbraw/zinc/07/10/19/446071019.db2.gz ZTWMPUHTVFYRND-OAHLLOKOSA-N 2 2 346.475 1.702 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cccc(O)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373169259 446071027 /nfs/dbraw/zinc/07/10/27/446071027.db2.gz ZTWMPUHTVFYRND-OAHLLOKOSA-N 2 2 346.475 1.702 20 0 EDADLP CC[NH+](CC)CCCN1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000365181358 446068505 /nfs/dbraw/zinc/06/85/05/446068505.db2.gz SKAOYVQHMDZHIL-SFHVURJKSA-N 2 2 326.529 1.057 20 0 EDADLP CC[NH+](CC)CCCN1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000365181358 446068514 /nfs/dbraw/zinc/06/85/14/446068514.db2.gz SKAOYVQHMDZHIL-SFHVURJKSA-N 2 2 326.529 1.057 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000351475710 446076892 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CC[C@H](Cn1cncn1)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423581947 446587586 /nfs/dbraw/zinc/58/75/86/446587586.db2.gz ZQSWBHGSKHMNEJ-GOSISDBHSA-N 3 2 342.491 1.640 20 0 EDADLP CC(C)c1cc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nc(N(C)C)[nH+]1 ZINC000433776386 446597919 /nfs/dbraw/zinc/59/79/19/446597919.db2.gz YDESISWMOKRMQL-GOEBONIOSA-N 2 2 333.480 1.823 20 0 EDADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418598843 446608123 /nfs/dbraw/zinc/60/81/23/446608123.db2.gz QVEIEBOELGSDHX-YOEHRIQHSA-N 2 2 334.439 1.651 20 0 EDADLP COCC1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC[NH2+]CC1 ZINC000423716288 446656211 /nfs/dbraw/zinc/65/62/11/446656211.db2.gz WJSYNFXCZBWVRM-UHFFFAOYSA-N 2 2 349.450 1.486 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418751503 446671392 /nfs/dbraw/zinc/67/13/92/446671392.db2.gz FNYOLWIBYWJEFF-CQSZACIVSA-N 2 2 332.439 1.749 20 0 EDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375173643 446623146 /nfs/dbraw/zinc/62/31/46/446623146.db2.gz KGSYLTFCERMSKF-OAHLLOKOSA-N 2 2 348.495 1.045 20 0 EDADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375173643 446623154 /nfs/dbraw/zinc/62/31/54/446623154.db2.gz KGSYLTFCERMSKF-OAHLLOKOSA-N 2 2 348.495 1.045 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434124499 446625608 /nfs/dbraw/zinc/62/56/08/446625608.db2.gz JFJUKHMVIBQWCR-SJORKVTESA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000434124499 446625611 /nfs/dbraw/zinc/62/56/11/446625611.db2.gz JFJUKHMVIBQWCR-SJORKVTESA-N 2 2 340.512 1.613 20 0 EDADLP CC(C)n1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000435063952 446675675 /nfs/dbraw/zinc/67/56/75/446675675.db2.gz CVPUYCLOZMELDL-UHFFFAOYSA-N 2 2 336.484 1.954 20 0 EDADLP CC(C)n1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000435063952 446675679 /nfs/dbraw/zinc/67/56/79/446675679.db2.gz CVPUYCLOZMELDL-UHFFFAOYSA-N 2 2 336.484 1.954 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000376750627 446696145 /nfs/dbraw/zinc/69/61/45/446696145.db2.gz UBKASXBNVZVYJF-DLBZAZTESA-N 2 2 332.448 1.548 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000423821659 446710322 /nfs/dbraw/zinc/71/03/22/446710322.db2.gz HTKJCVXVNYXHGM-XGVBPZLHSA-N 2 2 339.386 1.203 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000423821659 446710331 /nfs/dbraw/zinc/71/03/31/446710331.db2.gz HTKJCVXVNYXHGM-XGVBPZLHSA-N 2 2 339.386 1.203 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C(C)C ZINC000376804487 446729854 /nfs/dbraw/zinc/72/98/54/446729854.db2.gz ZGVZCLCASWPQIG-IRXDYDNUSA-N 2 2 340.512 1.610 20 0 EDADLP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000375265568 446680879 /nfs/dbraw/zinc/68/08/79/446680879.db2.gz HUPBRTBCOJYBCN-MSOLQXFVSA-N 2 2 335.492 1.794 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000376921179 446799031 /nfs/dbraw/zinc/79/90/31/446799031.db2.gz UIXVMIAJVXTZRV-SJORKVTESA-N 2 2 338.496 1.365 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000423910922 446760983 /nfs/dbraw/zinc/76/09/83/446760983.db2.gz GKNABTMUCFBMEP-WHOFXGATSA-N 2 2 338.427 1.461 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000423910922 446760987 /nfs/dbraw/zinc/76/09/87/446760987.db2.gz GKNABTMUCFBMEP-WHOFXGATSA-N 2 2 338.427 1.461 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423926471 446775931 /nfs/dbraw/zinc/77/59/31/446775931.db2.gz PJRPJKXSCDXEIC-XCCSTKFXSA-N 2 2 342.484 1.806 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423926471 446775938 /nfs/dbraw/zinc/77/59/38/446775938.db2.gz PJRPJKXSCDXEIC-XCCSTKFXSA-N 2 2 342.484 1.806 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423932756 446784173 /nfs/dbraw/zinc/78/41/73/446784173.db2.gz PVHMOMUGXNZPDU-OWSLCNJRSA-N 2 2 331.460 1.644 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423932756 446784179 /nfs/dbraw/zinc/78/41/79/446784179.db2.gz PVHMOMUGXNZPDU-OWSLCNJRSA-N 2 2 331.460 1.644 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423934943 446787163 /nfs/dbraw/zinc/78/71/63/446787163.db2.gz XMJMKRCEIMWNNV-NQYYFHDYSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423934943 446787171 /nfs/dbraw/zinc/78/71/71/446787171.db2.gz XMJMKRCEIMWNNV-NQYYFHDYSA-N 2 2 345.487 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371345701 446793845 /nfs/dbraw/zinc/79/38/45/446793845.db2.gz WVBAJXNNYGHDJD-INMHGKMJSA-N 2 2 343.475 1.832 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371345701 446793851 /nfs/dbraw/zinc/79/38/51/446793851.db2.gz WVBAJXNNYGHDJD-INMHGKMJSA-N 2 2 343.475 1.832 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc(C)[nH+]1 ZINC000420772700 446810547 /nfs/dbraw/zinc/81/05/47/446810547.db2.gz UUAJEWHBTVDATB-OAHLLOKOSA-N 2 2 344.415 1.327 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423998466 446814834 /nfs/dbraw/zinc/81/48/34/446814834.db2.gz PFIRLCMSKWEYKJ-IKGGRYGDSA-N 2 2 345.491 1.807 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423998466 446814838 /nfs/dbraw/zinc/81/48/38/446814838.db2.gz PFIRLCMSKWEYKJ-IKGGRYGDSA-N 2 2 345.491 1.807 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)CC1 ZINC000371383384 446821505 /nfs/dbraw/zinc/82/15/05/446821505.db2.gz NMAOSXPVJYXTJQ-LJQANCHMSA-N 2 2 343.471 1.411 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)CC1 ZINC000371383384 446821512 /nfs/dbraw/zinc/82/15/12/446821512.db2.gz NMAOSXPVJYXTJQ-LJQANCHMSA-N 2 2 343.471 1.411 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368389321 446832101 /nfs/dbraw/zinc/83/21/01/446832101.db2.gz HHHIEYTWYSXSTK-AEFFLSMTSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000368389321 446832104 /nfs/dbraw/zinc/83/21/04/446832104.db2.gz HHHIEYTWYSXSTK-AEFFLSMTSA-N 2 2 343.475 1.536 20 0 EDADLP COC(=O)[C@H](c1cccnc1)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371431987 446851773 /nfs/dbraw/zinc/85/17/73/446851773.db2.gz PZAVZEIIULFIAK-MSOLQXFVSA-N 2 2 346.475 1.396 20 0 EDADLP COC(=O)[C@H](c1cccnc1)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371431987 446851777 /nfs/dbraw/zinc/85/17/77/446851777.db2.gz PZAVZEIIULFIAK-MSOLQXFVSA-N 2 2 346.475 1.396 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCS1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368435301 446862247 /nfs/dbraw/zinc/86/22/47/446862247.db2.gz ZHJVZDZHNMLDCM-CVEARBPZSA-N 2 2 340.537 1.692 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCS1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368435301 446862252 /nfs/dbraw/zinc/86/22/52/446862252.db2.gz ZHJVZDZHNMLDCM-CVEARBPZSA-N 2 2 340.537 1.692 20 0 EDADLP NC(=O)CC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420905214 446881545 /nfs/dbraw/zinc/88/15/45/446881545.db2.gz QQOTZSWEIUROGN-UHFFFAOYSA-N 2 2 331.460 1.606 20 0 EDADLP c1cc(C[NH+]2CCC([NH2+]CC3(N4CCOCC4)CC3)CC2)ccn1 ZINC000368475791 446885212 /nfs/dbraw/zinc/88/52/12/446885212.db2.gz WKLQBDCRWCSGLH-UHFFFAOYSA-N 2 2 330.476 1.500 20 0 EDADLP CC(=O)N1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000420932118 446903819 /nfs/dbraw/zinc/90/38/19/446903819.db2.gz HHPXNHJIUZGOHG-INIZCTEOSA-N 2 2 331.460 1.571 20 0 EDADLP CC(=O)N1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000420932118 446903823 /nfs/dbraw/zinc/90/38/23/446903823.db2.gz HHPXNHJIUZGOHG-INIZCTEOSA-N 2 2 331.460 1.571 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000368531770 446925240 /nfs/dbraw/zinc/92/52/40/446925240.db2.gz WVEILXCDHACBJP-SFHVURJKSA-N 2 2 337.508 1.997 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000368531770 446925246 /nfs/dbraw/zinc/92/52/46/446925246.db2.gz WVEILXCDHACBJP-SFHVURJKSA-N 2 2 337.508 1.997 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000442763117 446955499 /nfs/dbraw/zinc/95/54/99/446955499.db2.gz DAOMRUMVIRUUCM-VXGBXAGGSA-N 2 2 348.838 1.528 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000442763117 446955505 /nfs/dbraw/zinc/95/55/05/446955505.db2.gz DAOMRUMVIRUUCM-VXGBXAGGSA-N 2 2 348.838 1.528 20 0 EDADLP COc1c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C)nn1C ZINC000368584428 446958329 /nfs/dbraw/zinc/95/83/29/446958329.db2.gz MVGFDCHNGJXTGU-CQSZACIVSA-N 2 2 335.496 1.337 20 0 EDADLP COc1c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C)nn1C ZINC000368584428 446958336 /nfs/dbraw/zinc/95/83/36/446958336.db2.gz MVGFDCHNGJXTGU-CQSZACIVSA-N 2 2 335.496 1.337 20 0 EDADLP COc1c(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C)nn1C ZINC000368584428 446958342 /nfs/dbraw/zinc/95/83/42/446958342.db2.gz MVGFDCHNGJXTGU-CQSZACIVSA-N 2 2 335.496 1.337 20 0 EDADLP COc1c(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C)nn1C ZINC000368584428 446958347 /nfs/dbraw/zinc/95/83/47/446958347.db2.gz MVGFDCHNGJXTGU-CQSZACIVSA-N 2 2 335.496 1.337 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](O)CC12CCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000420994722 446972486 /nfs/dbraw/zinc/97/24/86/446972486.db2.gz NPBNMEQOHCKMRY-MRXNPFEDSA-N 2 2 347.459 1.303 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](O)CC12CCC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000420994722 446972496 /nfs/dbraw/zinc/97/24/96/446972496.db2.gz NPBNMEQOHCKMRY-MRXNPFEDSA-N 2 2 347.459 1.303 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000371923871 446975785 /nfs/dbraw/zinc/97/57/85/446975785.db2.gz MTARZVBCBTXXFH-CYBMUJFWSA-N 2 2 344.467 1.504 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(N)nc(N(C)C)n1 ZINC000371923871 446975792 /nfs/dbraw/zinc/97/57/92/446975792.db2.gz MTARZVBCBTXXFH-CYBMUJFWSA-N 2 2 344.467 1.504 20 0 EDADLP C[C@@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000421003960 446978604 /nfs/dbraw/zinc/97/86/04/446978604.db2.gz CQBWYPAUAZHIHC-CABCVRRESA-N 2 2 337.489 1.238 20 0 EDADLP C[C@@H]1CC[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000421003960 446978606 /nfs/dbraw/zinc/97/86/06/446978606.db2.gz CQBWYPAUAZHIHC-CABCVRRESA-N 2 2 337.489 1.238 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC000421030833 447001230 /nfs/dbraw/zinc/00/12/30/447001230.db2.gz YDKAZTFKTIICNW-ZIFCJYIRSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC000421030833 447001237 /nfs/dbraw/zinc/00/12/37/447001237.db2.gz YDKAZTFKTIICNW-ZIFCJYIRSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000368693657 447043232 /nfs/dbraw/zinc/04/32/32/447043232.db2.gz IRRCPYYCIDITIU-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000368693657 447043238 /nfs/dbraw/zinc/04/32/38/447043238.db2.gz IRRCPYYCIDITIU-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000368693657 447043243 /nfs/dbraw/zinc/04/32/43/447043243.db2.gz IRRCPYYCIDITIU-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000368693657 447043250 /nfs/dbraw/zinc/04/32/50/447043250.db2.gz IRRCPYYCIDITIU-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@@H+]1CC(C)(C)O ZINC000377301509 447051210 /nfs/dbraw/zinc/05/12/10/447051210.db2.gz SAGKOZLTWKCHOQ-AWEZNQCLSA-N 2 2 349.479 1.206 20 0 EDADLP C[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@H+]1CC(C)(C)O ZINC000377301509 447051217 /nfs/dbraw/zinc/05/12/17/447051217.db2.gz SAGKOZLTWKCHOQ-AWEZNQCLSA-N 2 2 349.479 1.206 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNc2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000443457833 447054244 /nfs/dbraw/zinc/05/42/44/447054244.db2.gz WVUGEYLLNXLJPJ-INIZCTEOSA-N 2 2 348.539 2.352 20 0 EDADLP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377318819 447060848 /nfs/dbraw/zinc/06/08/48/447060848.db2.gz VDANLXYNOOUCLD-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377318819 447060852 /nfs/dbraw/zinc/06/08/52/447060852.db2.gz VDANLXYNOOUCLD-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP CS(=O)(=O)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377318819 447060863 /nfs/dbraw/zinc/06/08/63/447060863.db2.gz VDANLXYNOOUCLD-ROUUACIJSA-N 2 2 336.501 1.875 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377407914 447115761 /nfs/dbraw/zinc/11/57/61/447115761.db2.gz CPCWBLASPOCFOT-DGCLKSJQSA-N 2 2 334.445 1.526 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 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CCC[C@H](CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)OC ZINC000458927642 447506674 /nfs/dbraw/zinc/50/66/74/447506674.db2.gz XNYXSCOFOKKIDA-NVXWUHKLSA-N 2 2 340.512 1.611 20 0 EDADLP CCC[C@H](CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)OC ZINC000458927642 447506682 /nfs/dbraw/zinc/50/66/82/447506682.db2.gz XNYXSCOFOKKIDA-NVXWUHKLSA-N 2 2 340.512 1.611 20 0 EDADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000392688613 447524897 /nfs/dbraw/zinc/52/48/97/447524897.db2.gz XDJNGIRKSALNDG-HZPDHXFCSA-N 2 2 332.448 1.442 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C[C@H]1CCOC1 ZINC000494961271 447469646 /nfs/dbraw/zinc/46/96/46/447469646.db2.gz ZNFQOKVCILYGSW-OAHLLOKOSA-N 2 2 337.489 1.361 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427128896 447549056 /nfs/dbraw/zinc/54/90/56/447549056.db2.gz REVVJLUOEXRENI-UKRRQHHQSA-N 2 2 326.400 1.989 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427128896 447549062 /nfs/dbraw/zinc/54/90/62/447549062.db2.gz REVVJLUOEXRENI-UKRRQHHQSA-N 2 2 326.400 1.989 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c[nH+]1 ZINC000459068794 447560193 /nfs/dbraw/zinc/56/01/93/447560193.db2.gz DOFHBKJDXNFGPX-HNNXBMFYSA-N 2 2 334.464 1.685 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c[nH+]1 ZINC000459068794 447560198 /nfs/dbraw/zinc/56/01/98/447560198.db2.gz DOFHBKJDXNFGPX-HNNXBMFYSA-N 2 2 334.464 1.685 20 0 EDADLP Cc1cc(C)c(CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c[nH+]1 ZINC000459087860 447569646 /nfs/dbraw/zinc/56/96/46/447569646.db2.gz XEWGPFRXMKUTAL-QGZVFWFLSA-N 2 2 334.464 1.590 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851952 447608023 /nfs/dbraw/zinc/60/80/23/447608023.db2.gz SYFUGFXHQABBMV-CVEARBPZSA-N 2 2 341.496 1.821 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851952 447608030 /nfs/dbraw/zinc/60/80/30/447608030.db2.gz SYFUGFXHQABBMV-CVEARBPZSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851952 447608038 /nfs/dbraw/zinc/60/80/38/447608038.db2.gz SYFUGFXHQABBMV-CVEARBPZSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851952 447608042 /nfs/dbraw/zinc/60/80/42/447608042.db2.gz SYFUGFXHQABBMV-CVEARBPZSA-N 2 2 341.496 1.821 20 0 EDADLP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@@H](OCC3CC3)C1)C[NH+]1CCC2CC1 ZINC000495860244 447609419 /nfs/dbraw/zinc/60/94/19/447609419.db2.gz XVCKSAKTSKSXJG-MJGOQNOKSA-N 2 2 349.475 1.752 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CCC[C@@H](OCC3CC3)C1)C[NH+]1CCC2CC1 ZINC000495860244 447609426 /nfs/dbraw/zinc/60/94/26/447609426.db2.gz XVCKSAKTSKSXJG-MJGOQNOKSA-N 2 2 349.475 1.752 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C[NH3+] ZINC000405343064 447610459 /nfs/dbraw/zinc/61/04/59/447610459.db2.gz OGJHEPIEQQMNSS-IUODEOHRSA-N 2 2 325.840 1.883 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C)C[C@H]1C[NH3+] ZINC000405343064 447610463 /nfs/dbraw/zinc/61/04/63/447610463.db2.gz OGJHEPIEQQMNSS-IUODEOHRSA-N 2 2 325.840 1.883 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000428456014 447702043 /nfs/dbraw/zinc/70/20/43/447702043.db2.gz GSGPAOSZKJKCDS-ZBFHGGJFSA-N 2 2 331.464 1.988 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000428456014 447702045 /nfs/dbraw/zinc/70/20/45/447702045.db2.gz GSGPAOSZKJKCDS-ZBFHGGJFSA-N 2 2 331.464 1.988 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000420172664 447654543 /nfs/dbraw/zinc/65/45/43/447654543.db2.gz VYLLRSUWYIMBML-KBPBESRZSA-N 2 2 347.463 1.358 20 0 EDADLP O[C@]1(C[NH2+]Cc2cn3cccnc3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000459421395 447660969 /nfs/dbraw/zinc/66/09/69/447660969.db2.gz CGUDQOLFDJTLRA-IBGZPJMESA-N 2 2 337.427 1.456 20 0 EDADLP O[C@]1(C[NH2+]Cc2cn3cccnc3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459421395 447660977 /nfs/dbraw/zinc/66/09/77/447660977.db2.gz CGUDQOLFDJTLRA-IBGZPJMESA-N 2 2 337.427 1.456 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C[C@H]1C ZINC000422595386 447662372 /nfs/dbraw/zinc/66/23/72/447662372.db2.gz YVWPWSBSUUDTAA-WBVHZDCISA-N 2 2 346.475 1.646 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C[C@H]1C ZINC000422595386 447662377 /nfs/dbraw/zinc/66/23/77/447662377.db2.gz YVWPWSBSUUDTAA-WBVHZDCISA-N 2 2 346.475 1.646 20 0 EDADLP CCNc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc(NC(C)(C)C)[nH+]1 ZINC000420222519 447676464 /nfs/dbraw/zinc/67/64/64/447676464.db2.gz XKGRFRDYEMWPQH-FUNVUKJBSA-N 2 2 333.484 1.655 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]1 ZINC000420222519 447676474 /nfs/dbraw/zinc/67/64/74/447676474.db2.gz XKGRFRDYEMWPQH-FUNVUKJBSA-N 2 2 333.484 1.655 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000420222519 447676481 /nfs/dbraw/zinc/67/64/81/447676481.db2.gz XKGRFRDYEMWPQH-FUNVUKJBSA-N 2 2 333.484 1.655 20 0 EDADLP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416914448 447708000 /nfs/dbraw/zinc/70/80/00/447708000.db2.gz GXEFBALTMXSCOU-SWLSCSKDSA-N 2 2 331.395 1.652 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416807960 447688142 /nfs/dbraw/zinc/68/81/42/447688142.db2.gz HOXQJCVIUGWXOA-RDJZCZTQSA-N 2 2 334.464 1.314 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416807960 447688153 /nfs/dbraw/zinc/68/81/53/447688153.db2.gz HOXQJCVIUGWXOA-RDJZCZTQSA-N 2 2 334.464 1.314 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)no1 ZINC000459497875 447689512 /nfs/dbraw/zinc/68/95/12/447689512.db2.gz ANPLXYJUQTYKTB-JSGCOSHPSA-N 2 2 334.399 1.546 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)CC[NH2+]1 ZINC000416925478 447711420 /nfs/dbraw/zinc/71/14/20/447711420.db2.gz XWRBHSKLCFHNAM-IUODEOHRSA-N 2 2 331.395 1.652 20 0 EDADLP C[C@@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000496105328 447713062 /nfs/dbraw/zinc/71/30/62/447713062.db2.gz KXHROPHKNJSIIM-CZUORRHYSA-N 2 2 325.478 1.688 20 0 EDADLP C[C@@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCS1 ZINC000496105328 447713068 /nfs/dbraw/zinc/71/30/68/447713068.db2.gz KXHROPHKNJSIIM-CZUORRHYSA-N 2 2 325.478 1.688 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000458119792 447722720 /nfs/dbraw/zinc/72/27/20/447722720.db2.gz WNWLXVJCDMECQC-UHFFFAOYSA-N 2 2 345.447 1.402 20 0 EDADLP CC[C@H]([NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1)[C@@H]1CCC[NH2+]1 ZINC000422728786 447730789 /nfs/dbraw/zinc/73/07/89/447730789.db2.gz ARFUVUNGSLKKGP-IRXDYDNUSA-N 2 2 339.505 1.994 20 0 EDADLP Cc1cccc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)[nH+]1 ZINC000422757823 447741883 /nfs/dbraw/zinc/74/18/83/447741883.db2.gz JBGVLIANWHCEML-HKUYNNGSSA-N 3 2 330.476 1.715 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000422935276 447776180 /nfs/dbraw/zinc/77/61/80/447776180.db2.gz HBWBGFCXENCAFW-CVEARBPZSA-N 2 2 325.478 1.557 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000430556447 447777653 /nfs/dbraw/zinc/77/76/53/447777653.db2.gz UHXSRNUZHRKRMI-GOSISDBHSA-N 2 2 336.455 1.437 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000422953554 447779685 /nfs/dbraw/zinc/77/96/85/447779685.db2.gz FPHYWLGQOUENIX-IAGOWNOFSA-N 2 2 349.500 1.941 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430564155 447779910 /nfs/dbraw/zinc/77/99/10/447779910.db2.gz AUFUUEZFZIFEPM-QGZVFWFLSA-N 3 2 347.507 1.426 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430564155 447779913 /nfs/dbraw/zinc/77/99/13/447779913.db2.gz AUFUUEZFZIFEPM-QGZVFWFLSA-N 3 2 347.507 1.426 20 0 EDADLP C[C@@H](C(=O)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1)[NH+]1CCSCC1 ZINC000430712724 447784043 /nfs/dbraw/zinc/78/40/43/447784043.db2.gz IELXCLKETGLBGU-GJZGRUSLSA-N 2 2 348.516 1.973 20 0 EDADLP COc1ccc([C@@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422973079 447784797 /nfs/dbraw/zinc/78/47/97/447784797.db2.gz BDZCXXYHUNDVKM-VQTJNVASSA-N 3 2 347.503 1.782 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000422978702 447786540 /nfs/dbraw/zinc/78/65/40/447786540.db2.gz KFPGQDMTSLHEBF-DTZQCDIJSA-N 2 2 328.403 1.580 20 0 EDADLP O=C1C[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1Cc1ccccc1 ZINC000423013129 447791016 /nfs/dbraw/zinc/79/10/16/447791016.db2.gz MDLDWTFBJCXUGU-IMFGXOCKSA-N 2 2 343.471 1.392 20 0 EDADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000423045765 447796684 /nfs/dbraw/zinc/79/66/84/447796684.db2.gz SOSPBTVTBIIBQS-IAGOWNOFSA-N 2 2 338.473 1.337 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000471714403 447811540 /nfs/dbraw/zinc/81/15/40/447811540.db2.gz PQAXKMVOPYSMSS-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH+](CC)CC2)C1 ZINC000471714403 447811543 /nfs/dbraw/zinc/81/15/43/447811543.db2.gz PQAXKMVOPYSMSS-HNNXBMFYSA-N 2 2 339.480 1.204 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000487946959 447838876 /nfs/dbraw/zinc/83/88/76/447838876.db2.gz MEMGZLMYEKMWBU-YSHGAJCASA-N 2 2 345.487 1.714 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000487946959 447838878 /nfs/dbraw/zinc/83/88/78/447838878.db2.gz MEMGZLMYEKMWBU-YSHGAJCASA-N 2 2 345.487 1.714 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000487946959 447838880 /nfs/dbraw/zinc/83/88/80/447838880.db2.gz MEMGZLMYEKMWBU-YSHGAJCASA-N 2 2 345.487 1.714 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000487946959 447838882 /nfs/dbraw/zinc/83/88/82/447838882.db2.gz MEMGZLMYEKMWBU-YSHGAJCASA-N 2 2 345.487 1.714 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000522892214 447863051 /nfs/dbraw/zinc/86/30/51/447863051.db2.gz FRDAFSNOYWXZPK-LJQANCHMSA-N 2 2 344.503 1.799 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000522892214 447863056 /nfs/dbraw/zinc/86/30/56/447863056.db2.gz FRDAFSNOYWXZPK-LJQANCHMSA-N 2 2 344.503 1.799 20 0 EDADLP COc1cc2c(cc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)O[C@H](C)C2 ZINC000575741234 447886134 /nfs/dbraw/zinc/88/61/34/447886134.db2.gz TYLBDLPCLYITRN-ZUSMLRIVSA-N 2 2 332.444 1.875 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@H](C)CCCC[NH3+])c[nH+]2)CC1 ZINC000497150443 447896043 /nfs/dbraw/zinc/89/60/43/447896043.db2.gz RCEDCCJYKYWCOV-CQSZACIVSA-N 2 2 335.452 1.899 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550680027 447896453 /nfs/dbraw/zinc/89/64/53/447896453.db2.gz GQJXSTZHWQPOQV-OCBCSQNSSA-N 2 2 349.500 1.784 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550680027 447896457 /nfs/dbraw/zinc/89/64/57/447896457.db2.gz GQJXSTZHWQPOQV-OCBCSQNSSA-N 2 2 349.500 1.784 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(CC)C[C@@H]1CCC[NH+]1CC ZINC000569954905 447927580 /nfs/dbraw/zinc/92/75/80/447927580.db2.gz BGYAVNKQPDCISU-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(CC)C[C@@H]1CCC[NH+]1CC ZINC000569954905 447927586 /nfs/dbraw/zinc/92/75/86/447927586.db2.gz BGYAVNKQPDCISU-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N(CC)C[C@@H]1CCC[N@@H+]1CC ZINC000569954905 447927592 /nfs/dbraw/zinc/92/75/92/447927592.db2.gz BGYAVNKQPDCISU-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N(CC)C[C@@H]1CCC[N@H+]1CC ZINC000569954905 447927595 /nfs/dbraw/zinc/92/75/95/447927595.db2.gz BGYAVNKQPDCISU-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NCC1CC[NH+](CC(F)F)CC1 ZINC000552122125 447935981 /nfs/dbraw/zinc/93/59/81/447935981.db2.gz JWRIXTIJGRTIQR-UHFFFAOYSA-N 2 2 347.450 1.582 20 0 EDADLP CCNc1nc(NC2CC[NH+](CC3CC3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000553291607 447985179 /nfs/dbraw/zinc/98/51/79/447985179.db2.gz BQVNKBKEDPOOJO-UHFFFAOYSA-N 2 2 347.511 1.644 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000553291607 447985184 /nfs/dbraw/zinc/98/51/84/447985184.db2.gz BQVNKBKEDPOOJO-UHFFFAOYSA-N 2 2 347.511 1.644 20 0 EDADLP CCNc1nc(NC2CC[NH+](CC3CC3)CC2)[nH+]c(NC(C)(C)C)n1 ZINC000553291607 447985187 /nfs/dbraw/zinc/98/51/87/447985187.db2.gz BQVNKBKEDPOOJO-UHFFFAOYSA-N 2 2 347.511 1.644 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000576169695 447989683 /nfs/dbraw/zinc/98/96/83/447989683.db2.gz OVLRURSQOHGIOI-KGLIPLIRSA-N 2 2 330.432 1.564 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000576169695 447989689 /nfs/dbraw/zinc/98/96/89/447989689.db2.gz OVLRURSQOHGIOI-KGLIPLIRSA-N 2 2 330.432 1.564 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@H]2C[N@H+](C)CCO2)c1)[NH+]1CCOCC1 ZINC000531293361 448055992 /nfs/dbraw/zinc/05/59/92/448055992.db2.gz HYMYCSOOWBIBPZ-WMLDXEAASA-N 2 2 333.432 1.349 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1)[NH+]1CCOCC1 ZINC000531293361 448055999 /nfs/dbraw/zinc/05/59/99/448055999.db2.gz HYMYCSOOWBIBPZ-WMLDXEAASA-N 2 2 333.432 1.349 20 0 EDADLP CC(C)CN(C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1)C1CC[NH+](C)CC1 ZINC000570451846 448017529 /nfs/dbraw/zinc/01/75/29/448017529.db2.gz BFCCKINLTQJUTM-AWEZNQCLSA-N 2 2 333.480 1.679 20 0 EDADLP CCNC(=O)C(C)(C)C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000576511770 448071026 /nfs/dbraw/zinc/07/10/26/448071026.db2.gz LVGFTGZEOOYNDY-OAHLLOKOSA-N 2 2 346.475 1.766 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C[N@@H+]1C1CC1 ZINC000531483336 448090622 /nfs/dbraw/zinc/09/06/22/448090622.db2.gz WSOWMXVOOUIGFS-MNOVXSKESA-N 2 2 345.369 1.870 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C[N@H+]1C1CC1 ZINC000531483336 448090628 /nfs/dbraw/zinc/09/06/28/448090628.db2.gz WSOWMXVOOUIGFS-MNOVXSKESA-N 2 2 345.369 1.870 20 0 EDADLP FC(F)Oc1cccc([C@@H]2C[N@H+](CCN3CC[NH2+]CC3)CCO2)c1 ZINC000576637623 448103318 /nfs/dbraw/zinc/10/33/18/448103318.db2.gz UQMJNIRPIFWMSE-INIZCTEOSA-N 2 2 341.402 1.567 20 0 EDADLP FC(F)Oc1cccc([C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCO2)c1 ZINC000576637623 448103325 /nfs/dbraw/zinc/10/33/25/448103325.db2.gz UQMJNIRPIFWMSE-INIZCTEOSA-N 2 2 341.402 1.567 20 0 EDADLP Cc1ccc(-c2cnc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)o2)cc1 ZINC000576718740 448125515 /nfs/dbraw/zinc/12/55/15/448125515.db2.gz HEZQFDSVECUVRR-HUUCEWRRSA-N 2 2 326.400 1.394 20 0 EDADLP Cc1ccc(-c2cnc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)o2)cc1 ZINC000576718740 448125524 /nfs/dbraw/zinc/12/55/24/448125524.db2.gz HEZQFDSVECUVRR-HUUCEWRRSA-N 2 2 326.400 1.394 20 0 EDADLP CCN1CCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000526974840 448129347 /nfs/dbraw/zinc/12/93/47/448129347.db2.gz TYTBBIQVVPKSIO-CVEARBPZSA-N 2 2 348.495 1.528 20 0 EDADLP CCN1CCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000526974840 448129353 /nfs/dbraw/zinc/12/93/53/448129353.db2.gz TYTBBIQVVPKSIO-CVEARBPZSA-N 2 2 348.495 1.528 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000576835006 448151623 /nfs/dbraw/zinc/15/16/23/448151623.db2.gz ZQYWZVDYBQGKOZ-MSOLQXFVSA-N 2 2 333.476 1.063 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000576835006 448151627 /nfs/dbraw/zinc/15/16/27/448151627.db2.gz ZQYWZVDYBQGKOZ-MSOLQXFVSA-N 2 2 333.476 1.063 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000576835006 448151635 /nfs/dbraw/zinc/15/16/35/448151635.db2.gz ZQYWZVDYBQGKOZ-MSOLQXFVSA-N 2 2 333.476 1.063 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000576835006 448151638 /nfs/dbraw/zinc/15/16/38/448151638.db2.gz ZQYWZVDYBQGKOZ-MSOLQXFVSA-N 2 2 333.476 1.063 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000576986509 448186257 /nfs/dbraw/zinc/18/62/57/448186257.db2.gz STBLMKUEFFOLSI-WBVHZDCISA-N 2 2 333.432 1.035 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000576986509 448186265 /nfs/dbraw/zinc/18/62/65/448186265.db2.gz STBLMKUEFFOLSI-WBVHZDCISA-N 2 2 333.432 1.035 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)N1 ZINC000514804901 448207003 /nfs/dbraw/zinc/20/70/03/448207003.db2.gz FFJPEXUYAFNSSE-UHFFFAOYSA-N 2 2 345.428 1.544 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000514598746 448169498 /nfs/dbraw/zinc/16/94/98/448169498.db2.gz JTPVCEDNCWSJPK-MRXNPFEDSA-N 2 2 344.459 1.826 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000514598746 448169504 /nfs/dbraw/zinc/16/95/04/448169504.db2.gz JTPVCEDNCWSJPK-MRXNPFEDSA-N 2 2 344.459 1.826 20 0 EDADLP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCCn1cc[nH+]c1 ZINC000527532619 448248405 /nfs/dbraw/zinc/24/84/05/448248405.db2.gz GEYAUFWZMQAWHN-MRXNPFEDSA-N 2 2 334.464 1.765 20 0 EDADLP Cc1cc([C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C2CC2)ccc1F ZINC000515047590 448248600 /nfs/dbraw/zinc/24/86/00/448248600.db2.gz IZDDEQKWDMNFNV-NVXWUHKLSA-N 2 2 334.439 1.870 20 0 EDADLP Cc1cc([C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C2CC2)ccc1F ZINC000515047590 448248605 /nfs/dbraw/zinc/24/86/05/448248605.db2.gz IZDDEQKWDMNFNV-NVXWUHKLSA-N 2 2 334.439 1.870 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000572240378 448323349 /nfs/dbraw/zinc/32/33/49/448323349.db2.gz FDBPRZSLDKDIMF-HUUCEWRRSA-N 2 2 339.480 1.013 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000572240378 448323352 /nfs/dbraw/zinc/32/33/52/448323352.db2.gz FDBPRZSLDKDIMF-HUUCEWRRSA-N 2 2 339.480 1.013 20 0 EDADLP C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H](C)[NH+]1CCOCC1 ZINC000582774539 448335493 /nfs/dbraw/zinc/33/54/93/448335493.db2.gz DPWKEFYVNKKWRT-XYVMCAHJSA-N 2 2 346.475 1.232 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CCN(c3[nH+]cccc3OC)CC2)CC1 ZINC000527885438 448383034 /nfs/dbraw/zinc/38/30/34/448383034.db2.gz HJPQXPJJBJDECK-UHFFFAOYSA-N 2 2 346.475 1.861 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC(O)(C[NH3+])CC3)cn2c1 ZINC000577853774 448403387 /nfs/dbraw/zinc/40/33/87/448403387.db2.gz TXRQCBSDXVJDNQ-UHFFFAOYSA-N 2 2 348.472 1.188 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000516262890 448405519 /nfs/dbraw/zinc/40/55/19/448405519.db2.gz CHUWDMWHTDXBNV-ZBFHGGJFSA-N 2 2 336.505 1.963 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000528005130 448408567 /nfs/dbraw/zinc/40/85/67/448408567.db2.gz SANKTMSBUYFPOR-CUSZFKRNSA-N 2 2 325.497 1.185 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000528005130 448408571 /nfs/dbraw/zinc/40/85/71/448408571.db2.gz SANKTMSBUYFPOR-CUSZFKRNSA-N 2 2 325.497 1.185 20 0 EDADLP CS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000566229758 448420987 /nfs/dbraw/zinc/42/09/87/448420987.db2.gz MOXBLUQTFCPWJH-HNNXBMFYSA-N 2 2 338.473 1.277 20 0 EDADLP CS(=O)(=O)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000566229758 448420995 /nfs/dbraw/zinc/42/09/95/448420995.db2.gz MOXBLUQTFCPWJH-HNNXBMFYSA-N 2 2 338.473 1.277 20 0 EDADLP Cc1c[nH+]cn1Cc1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000528079521 448427715 /nfs/dbraw/zinc/42/77/15/448427715.db2.gz DVQPBTMMNHRMFT-UHFFFAOYSA-N 2 2 339.403 1.437 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000566351248 448451405 /nfs/dbraw/zinc/45/14/05/448451405.db2.gz CEEGCILYIUVOQH-UHFFFAOYSA-N 2 2 333.436 1.584 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000516656528 448459292 /nfs/dbraw/zinc/45/92/92/448459292.db2.gz HNUJFECQITVNKX-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000591733753 448475959 /nfs/dbraw/zinc/47/59/59/448475959.db2.gz HRGBOUMJOTVLLH-CVEARBPZSA-N 2 2 336.432 1.287 20 0 EDADLP CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000591733753 448475966 /nfs/dbraw/zinc/47/59/66/448475966.db2.gz HRGBOUMJOTVLLH-CVEARBPZSA-N 2 2 336.432 1.287 20 0 EDADLP COCC(COC)[NH+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC000584301358 448478947 /nfs/dbraw/zinc/47/89/47/448478947.db2.gz RLNCNGIQJUJPHU-UHFFFAOYSA-N 2 2 346.431 1.062 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000572999757 448519227 /nfs/dbraw/zinc/51/92/27/448519227.db2.gz YLSRWPZMTSIXSY-AWEZNQCLSA-N 2 2 328.420 1.743 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000572999757 448519231 /nfs/dbraw/zinc/51/92/31/448519231.db2.gz YLSRWPZMTSIXSY-AWEZNQCLSA-N 2 2 328.420 1.743 20 0 EDADLP CN1CC[NH+](Cc2ccc(NC(=O)c3ccnc(C[NH3+])c3)cc2)CC1 ZINC000578353669 448526958 /nfs/dbraw/zinc/52/69/58/448526958.db2.gz QYNYVTMACHYETB-UHFFFAOYSA-N 2 2 339.443 1.540 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578513017 448565506 /nfs/dbraw/zinc/56/55/06/448565506.db2.gz IBNNHRITDYSFAU-SJORKVTESA-N 3 2 335.496 1.709 20 0 EDADLP Cc1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)ncn1 ZINC000517305178 448569488 /nfs/dbraw/zinc/56/94/88/448569488.db2.gz ZOLAHJPTPOWMBB-UHFFFAOYSA-N 2 2 331.464 1.161 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573092657 448541073 /nfs/dbraw/zinc/54/10/73/448541073.db2.gz VUNOKOOVZMKRFQ-GOSISDBHSA-N 2 2 344.459 1.106 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573092657 448541083 /nfs/dbraw/zinc/54/10/83/448541083.db2.gz VUNOKOOVZMKRFQ-GOSISDBHSA-N 2 2 344.459 1.106 20 0 EDADLP Cn1c2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cc2[nH+]c1C1CC1 ZINC000573367082 448609301 /nfs/dbraw/zinc/60/93/01/448609301.db2.gz HCHQLXPHBJEHKW-AWEZNQCLSA-N 2 2 328.416 1.445 20 0 EDADLP c1c[nH+]c(N2CC[NH+](C[C@@H]3CN(c4ccccc4)CCO3)CC2)[nH]1 ZINC000584728553 448612404 /nfs/dbraw/zinc/61/24/04/448612404.db2.gz PCKCGPWRTJCAQK-QGZVFWFLSA-N 2 2 327.432 1.437 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCCC[NH2+]1 ZINC000578738301 448622129 /nfs/dbraw/zinc/62/21/29/448622129.db2.gz FYSRXNLJZLQKRA-WMLDXEAASA-N 2 2 337.489 1.847 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000567226969 448643091 /nfs/dbraw/zinc/64/30/91/448643091.db2.gz KGADUGFZARLRCV-DJIMGWMZSA-N 2 2 329.444 1.777 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000567226969 448643095 /nfs/dbraw/zinc/64/30/95/448643095.db2.gz KGADUGFZARLRCV-DJIMGWMZSA-N 2 2 329.444 1.777 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000528731451 448650888 /nfs/dbraw/zinc/65/08/88/448650888.db2.gz RTDBMKINJAPHFP-INIZCTEOSA-N 2 2 338.448 1.344 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000567262395 448652804 /nfs/dbraw/zinc/65/28/04/448652804.db2.gz NDAQNXSRCIMRQG-MZMPZRCHSA-N 2 2 348.443 1.285 20 0 EDADLP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000567262395 448652809 /nfs/dbraw/zinc/65/28/09/448652809.db2.gz NDAQNXSRCIMRQG-MZMPZRCHSA-N 2 2 348.443 1.285 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000584842898 448653945 /nfs/dbraw/zinc/65/39/45/448653945.db2.gz DEGUCOWVCVCRRQ-IYBDPMFKSA-N 2 2 344.463 1.518 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000584842898 448653949 /nfs/dbraw/zinc/65/39/49/448653949.db2.gz DEGUCOWVCVCRRQ-IYBDPMFKSA-N 2 2 344.463 1.518 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000518214697 448655286 /nfs/dbraw/zinc/65/52/86/448655286.db2.gz YRVNPLGCBVIJNQ-WOPDTQHZSA-N 2 2 332.370 1.865 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(C)n1 ZINC000541229574 448668286 /nfs/dbraw/zinc/66/82/86/448668286.db2.gz OTXYYMVLYOGMRY-CJNGLKHVSA-N 2 2 342.447 1.669 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000528682303 448628712 /nfs/dbraw/zinc/62/87/12/448628712.db2.gz ZAZHTBGFQMUVRJ-INIZCTEOSA-N 2 2 343.431 1.957 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000518514011 448686753 /nfs/dbraw/zinc/68/67/53/448686753.db2.gz HGSMUWMBOJAFEP-ZYHUDNBSSA-N 2 2 343.353 1.605 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC)C1)[NH+]1CCOCC1 ZINC000541720236 448687077 /nfs/dbraw/zinc/68/70/77/448687077.db2.gz NHRDVSULGDLHBZ-FUHWJXTLSA-N 2 2 339.524 1.972 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC)C1)[NH+]1CCOCC1 ZINC000541720236 448687080 /nfs/dbraw/zinc/68/70/80/448687080.db2.gz NHRDVSULGDLHBZ-FUHWJXTLSA-N 2 2 339.524 1.972 20 0 EDADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000567406116 448687985 /nfs/dbraw/zinc/68/79/85/448687985.db2.gz DRQUYCKFASCLAQ-UHFFFAOYSA-N 2 2 344.459 1.606 20 0 EDADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000567406116 448687987 /nfs/dbraw/zinc/68/79/87/448687987.db2.gz DRQUYCKFASCLAQ-UHFFFAOYSA-N 2 2 344.459 1.606 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000518635521 448695921 /nfs/dbraw/zinc/69/59/21/448695921.db2.gz OZDZBBPXZGCERE-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000518635521 448695925 /nfs/dbraw/zinc/69/59/25/448695925.db2.gz OZDZBBPXZGCERE-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000573713284 448696687 /nfs/dbraw/zinc/69/66/87/448696687.db2.gz OCWIBFRRZCPKPL-OALUTQOASA-N 2 2 343.471 1.415 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000573713284 448696692 /nfs/dbraw/zinc/69/66/92/448696692.db2.gz OCWIBFRRZCPKPL-OALUTQOASA-N 2 2 343.471 1.415 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000567517047 448708346 /nfs/dbraw/zinc/70/83/46/448708346.db2.gz QJOKYGCEFMJRIO-CQSZACIVSA-N 2 2 342.447 1.052 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000567517047 448708349 /nfs/dbraw/zinc/70/83/49/448708349.db2.gz QJOKYGCEFMJRIO-CQSZACIVSA-N 2 2 342.447 1.052 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CCO1 ZINC000518983190 448728329 /nfs/dbraw/zinc/72/83/29/448728329.db2.gz DZZUYARAAUSUKI-WBVHZDCISA-N 2 2 325.497 1.901 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CCO1 ZINC000518983190 448728334 /nfs/dbraw/zinc/72/83/34/448728334.db2.gz DZZUYARAAUSUKI-WBVHZDCISA-N 2 2 325.497 1.901 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000579189581 448733098 /nfs/dbraw/zinc/73/30/98/448733098.db2.gz YKFAALZANMVSKL-QGZVFWFLSA-N 2 2 348.495 1.085 20 0 EDADLP C[NH+]1CCN(CCCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000579189581 448733100 /nfs/dbraw/zinc/73/31/00/448733100.db2.gz YKFAALZANMVSKL-QGZVFWFLSA-N 2 2 348.495 1.085 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000519634367 448807355 /nfs/dbraw/zinc/80/73/55/448807355.db2.gz NVYHCJMWDFGCMB-RBSFLKMASA-N 2 2 337.489 1.850 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000519634367 448807358 /nfs/dbraw/zinc/80/73/58/448807358.db2.gz NVYHCJMWDFGCMB-RBSFLKMASA-N 2 2 337.489 1.850 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000574045285 448778212 /nfs/dbraw/zinc/77/82/12/448778212.db2.gz PHMSENMODZYEOM-IBGZPJMESA-N 2 2 341.459 1.926 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000574045285 448778218 /nfs/dbraw/zinc/77/82/18/448778218.db2.gz PHMSENMODZYEOM-IBGZPJMESA-N 2 2 341.459 1.926 20 0 EDADLP CCCOc1cc(C)ccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579452421 448795432 /nfs/dbraw/zinc/79/54/32/448795432.db2.gz DMWCWOXNOMJXMV-MRXNPFEDSA-N 2 2 334.464 1.568 20 0 EDADLP CCCOc1cc(C)ccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579452421 448795435 /nfs/dbraw/zinc/79/54/35/448795435.db2.gz DMWCWOXNOMJXMV-MRXNPFEDSA-N 2 2 334.464 1.568 20 0 EDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000529319109 448820955 /nfs/dbraw/zinc/82/09/55/448820955.db2.gz YFRTXNZQKCBJOO-CJNGLKHVSA-N 2 2 343.431 1.529 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529367787 448843190 /nfs/dbraw/zinc/84/31/90/448843190.db2.gz SALFUDKFVNGUFI-KGLIPLIRSA-N 2 2 334.468 1.699 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529367792 448843316 /nfs/dbraw/zinc/84/33/16/448843316.db2.gz SBOQJFOKTLOLIS-AWEZNQCLSA-N 2 2 334.468 1.714 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000529384835 448851538 /nfs/dbraw/zinc/85/15/38/448851538.db2.gz JEGDZTFDBWIVOW-HUUCEWRRSA-N 2 2 347.463 1.097 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NC(=O)NCc1cccs1 ZINC000592471182 448851878 /nfs/dbraw/zinc/85/18/78/448851878.db2.gz HGFFDPOULSTNIV-UHFFFAOYSA-N 2 2 336.461 1.290 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NC(=O)NCc1cccs1 ZINC000592471182 448851884 /nfs/dbraw/zinc/85/18/84/448851884.db2.gz HGFFDPOULSTNIV-UHFFFAOYSA-N 2 2 336.461 1.290 20 0 EDADLP C[C@@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)n1cc[nH+]c1 ZINC000574404399 448866644 /nfs/dbraw/zinc/86/66/44/448866644.db2.gz PQVSKXHQIXPSEW-HNNXBMFYSA-N 2 2 342.447 1.297 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000579822817 448885590 /nfs/dbraw/zinc/88/55/90/448885590.db2.gz YHJDCZFQWCKFRB-DBDQLMEASA-N 2 2 343.471 1.500 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)C[C@H]12 ZINC000579811960 448881935 /nfs/dbraw/zinc/88/19/35/448881935.db2.gz CKBLJIKJCKXLMT-FGTMMUONSA-N 2 2 339.443 1.810 20 0 EDADLP Cc1noc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000520459248 448900443 /nfs/dbraw/zinc/90/04/43/448900443.db2.gz WZNSVRZVRLWQHR-ZDUSSCGKSA-N 2 2 344.419 1.163 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1nccn1-c1ccccc1 ZINC000520547911 448909015 /nfs/dbraw/zinc/90/90/15/448909015.db2.gz UQQANOUSRJMISF-ZBFHGGJFSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1nccn1-c1ccccc1 ZINC000520547911 448909019 /nfs/dbraw/zinc/90/90/19/448909019.db2.gz UQQANOUSRJMISF-ZBFHGGJFSA-N 2 2 342.447 1.218 20 0 EDADLP CNC(=O)NC[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000529640310 448912729 /nfs/dbraw/zinc/91/27/29/448912729.db2.gz CAIVJFUJZXBIKC-ZDUSSCGKSA-N 2 2 335.433 1.064 20 0 EDADLP CNC(=O)NC[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000529640310 448912733 /nfs/dbraw/zinc/91/27/33/448912733.db2.gz CAIVJFUJZXBIKC-ZDUSSCGKSA-N 2 2 335.433 1.064 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000574613961 448913765 /nfs/dbraw/zinc/91/37/65/448913765.db2.gz YNVYCWDIJOHNKU-FZMZJTMJSA-N 2 2 333.461 1.931 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000574613961 448913767 /nfs/dbraw/zinc/91/37/67/448913767.db2.gz YNVYCWDIJOHNKU-FZMZJTMJSA-N 2 2 333.461 1.931 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000521040226 448949316 /nfs/dbraw/zinc/94/93/16/448949316.db2.gz OQDBIQIDZSVQQQ-SFHVURJKSA-N 2 2 332.492 1.433 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000529834758 448976465 /nfs/dbraw/zinc/97/64/65/448976465.db2.gz GYMMMDPQLVYDLJ-OAHLLOKOSA-N 2 2 328.416 1.742 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000529834758 448976468 /nfs/dbraw/zinc/97/64/68/448976468.db2.gz GYMMMDPQLVYDLJ-OAHLLOKOSA-N 2 2 328.416 1.742 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(Br)ccc2F)[C@H](C[NH3+])C1 ZINC000569200283 448976788 /nfs/dbraw/zinc/97/67/88/448976788.db2.gz SJOHFNWWRLBGCJ-SNVBAGLBSA-N 2 2 345.216 1.695 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(Br)ccc2F)[C@H](C[NH3+])C1 ZINC000569200283 448976791 /nfs/dbraw/zinc/97/67/91/448976791.db2.gz SJOHFNWWRLBGCJ-SNVBAGLBSA-N 2 2 345.216 1.695 20 0 EDADLP COc1ccc2cc(CNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])ccc2c1 ZINC000568974179 448945816 /nfs/dbraw/zinc/94/58/16/448945816.db2.gz MUGRXQQBOMVDOQ-QGZVFWFLSA-N 2 2 342.443 1.633 20 0 EDADLP COc1ccc2cc(CNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])ccc2c1 ZINC000568974179 448945819 /nfs/dbraw/zinc/94/58/19/448945819.db2.gz MUGRXQQBOMVDOQ-QGZVFWFLSA-N 2 2 342.443 1.633 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ncccc3O)CC2)C[C@H](C)O1 ZINC000575028288 449017046 /nfs/dbraw/zinc/01/70/46/449017046.db2.gz ZYRMNRISRWKZGE-IYBDPMFKSA-N 2 2 349.475 1.877 20 0 EDADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ncccc3O)CC2)C[C@H](C)O1 ZINC000575028288 449017049 /nfs/dbraw/zinc/01/70/49/449017049.db2.gz ZYRMNRISRWKZGE-IYBDPMFKSA-N 2 2 349.475 1.877 20 0 EDADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548327230 449020917 /nfs/dbraw/zinc/02/09/17/449020917.db2.gz OJMONTDZWHHQNC-KRWDZBQOSA-N 2 2 339.443 1.555 20 0 EDADLP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548327230 449020921 /nfs/dbraw/zinc/02/09/21/449020921.db2.gz OJMONTDZWHHQNC-KRWDZBQOSA-N 2 2 339.443 1.555 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC000582179770 449030539 /nfs/dbraw/zinc/03/05/39/449030539.db2.gz WLHQLPBIKQOMHS-UHFFFAOYSA-N 2 2 330.432 1.171 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000604175758 449185462 /nfs/dbraw/zinc/18/54/62/449185462.db2.gz AFFAOUOJXHCCIA-RYQLBKOJSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000604175758 449185468 /nfs/dbraw/zinc/18/54/68/449185468.db2.gz AFFAOUOJXHCCIA-RYQLBKOJSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175758 449185469 /nfs/dbraw/zinc/18/54/69/449185469.db2.gz AFFAOUOJXHCCIA-RYQLBKOJSA-N 3 2 349.523 1.081 20 0 EDADLP C[NH+]1CCC([NH+]2CC[C@H](NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000604175758 449185475 /nfs/dbraw/zinc/18/54/75/449185475.db2.gz AFFAOUOJXHCCIA-RYQLBKOJSA-N 3 2 349.523 1.081 20 0 EDADLP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000600187857 449232586 /nfs/dbraw/zinc/23/25/86/449232586.db2.gz KUKPRVVLPOTKEY-HNNXBMFYSA-N 2 2 337.395 1.042 20 0 EDADLP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000600187857 449232589 /nfs/dbraw/zinc/23/25/89/449232589.db2.gz KUKPRVVLPOTKEY-HNNXBMFYSA-N 2 2 337.395 1.042 20 0 EDADLP CCOC(=O)c1sc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc1C(C)C ZINC000593922689 449289631 /nfs/dbraw/zinc/28/96/31/449289631.db2.gz DWSWYGOZCXKANV-JTQLQIEISA-N 2 2 342.465 1.661 20 0 EDADLP CS[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590925574 449345184 /nfs/dbraw/zinc/34/51/84/449345184.db2.gz HGSDYRWVBGAOSS-HIFRSBDPSA-N 2 2 326.510 1.302 20 0 EDADLP CS[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000590925574 449345188 /nfs/dbraw/zinc/34/51/88/449345188.db2.gz HGSDYRWVBGAOSS-HIFRSBDPSA-N 2 2 326.510 1.302 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC000602128399 449366945 /nfs/dbraw/zinc/36/69/45/449366945.db2.gz DFIUFENBEDAANP-CQSZACIVSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC000602128399 449366950 /nfs/dbraw/zinc/36/69/50/449366950.db2.gz DFIUFENBEDAANP-CQSZACIVSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC000602128399 449366956 /nfs/dbraw/zinc/36/69/56/449366956.db2.gz DFIUFENBEDAANP-CQSZACIVSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC000602128399 449366958 /nfs/dbraw/zinc/36/69/58/449366958.db2.gz DFIUFENBEDAANP-CQSZACIVSA-N 2 2 327.469 1.060 20 0 EDADLP CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605513624 449387501 /nfs/dbraw/zinc/38/75/01/449387501.db2.gz IMIURASRFPYOCC-OAHLLOKOSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605513624 449387505 /nfs/dbraw/zinc/38/75/05/449387505.db2.gz IMIURASRFPYOCC-OAHLLOKOSA-N 2 2 336.867 1.976 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCc3cc(F)ccc32)CC1 ZINC000611972973 449499319 /nfs/dbraw/zinc/49/93/19/449499319.db2.gz DWYHJRZNLNDROE-SFHVURJKSA-N 2 2 333.451 1.998 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000600723410 449517930 /nfs/dbraw/zinc/51/79/30/449517930.db2.gz NRSXBRFGXBMINW-OAHLLOKOSA-N 2 2 327.450 1.080 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2)c1ccccc1 ZINC000614503907 449651467 /nfs/dbraw/zinc/65/14/67/449651467.db2.gz SUGNFMSTQARWHP-QZTJIDSGSA-N 2 2 330.476 1.186 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2)c1ccccc1 ZINC000614503907 449651472 /nfs/dbraw/zinc/65/14/72/449651472.db2.gz SUGNFMSTQARWHP-QZTJIDSGSA-N 2 2 330.476 1.186 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000612431550 449699866 /nfs/dbraw/zinc/69/98/66/449699866.db2.gz MWSYLJNPYORHPG-NVXWUHKLSA-N 2 2 332.448 1.159 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000599007485 449695052 /nfs/dbraw/zinc/69/50/52/449695052.db2.gz LQDPEXFDKUYVNU-UHFFFAOYSA-N 2 2 344.415 1.340 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H](C)CO1 ZINC000617726022 449781846 /nfs/dbraw/zinc/78/18/46/449781846.db2.gz RQADSTCBTMDJRS-HZPDHXFCSA-N 2 2 342.443 1.770 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@H](C)CO1 ZINC000617726022 449781853 /nfs/dbraw/zinc/78/18/53/449781853.db2.gz RQADSTCBTMDJRS-HZPDHXFCSA-N 2 2 342.443 1.770 20 0 EDADLP CCOC(=O)C1(C)CC([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000601267739 449786665 /nfs/dbraw/zinc/78/66/65/449786665.db2.gz SPDOQJUGBFGHCF-CSLYMUCUSA-N 2 2 339.480 1.251 20 0 EDADLP CCOC(=O)C1(C)CC([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000601267739 449786672 /nfs/dbraw/zinc/78/66/72/449786672.db2.gz SPDOQJUGBFGHCF-CSLYMUCUSA-N 2 2 339.480 1.251 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617729512 449787745 /nfs/dbraw/zinc/78/77/45/449787745.db2.gz DTMNXRWYAQIKJV-ZIAGYGMSSA-N 2 2 330.432 1.570 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617729512 449787749 /nfs/dbraw/zinc/78/77/49/449787749.db2.gz DTMNXRWYAQIKJV-ZIAGYGMSSA-N 2 2 330.432 1.570 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000608313560 449804546 /nfs/dbraw/zinc/80/45/46/449804546.db2.gz ANIXNBYNKURURM-UHFFFAOYSA-N 2 2 344.419 1.008 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000617765497 449826771 /nfs/dbraw/zinc/82/67/71/449826771.db2.gz CWKYABALVMMPLB-UHFFFAOYSA-N 2 2 347.503 1.944 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000617765497 449826779 /nfs/dbraw/zinc/82/67/79/449826779.db2.gz CWKYABALVMMPLB-UHFFFAOYSA-N 2 2 347.503 1.944 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]nc1-c1ccccc1F ZINC000617765489 449827838 /nfs/dbraw/zinc/82/78/38/449827838.db2.gz CSSAXSFKAYUWBP-UHFFFAOYSA-N 2 2 347.438 1.829 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]nc1-c1ccccc1F ZINC000617765489 449827842 /nfs/dbraw/zinc/82/78/42/449827842.db2.gz CSSAXSFKAYUWBP-UHFFFAOYSA-N 2 2 347.438 1.829 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334244 449842086 /nfs/dbraw/zinc/84/20/86/449842086.db2.gz JXXQXHTUNWBADY-GOEBONIOSA-N 2 2 331.416 1.486 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000601334244 449842091 /nfs/dbraw/zinc/84/20/91/449842091.db2.gz JXXQXHTUNWBADY-GOEBONIOSA-N 2 2 331.416 1.486 20 0 EDADLP CC(C)[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCCCC1 ZINC000617735644 449798482 /nfs/dbraw/zinc/79/84/82/449798482.db2.gz SCQMKGCZFYEXBZ-BRWVUGGUSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+]1CCCCC1 ZINC000617735644 449798487 /nfs/dbraw/zinc/79/84/87/449798487.db2.gz SCQMKGCZFYEXBZ-BRWVUGGUSA-N 2 2 325.497 1.722 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC000602775589 449799431 /nfs/dbraw/zinc/79/94/31/449799431.db2.gz JVJFVDXCSJVPHO-DLBZAZTESA-N 2 2 337.508 1.819 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC000602775589 449799435 /nfs/dbraw/zinc/79/94/35/449799435.db2.gz JVJFVDXCSJVPHO-DLBZAZTESA-N 2 2 337.508 1.819 20 0 EDADLP CCN(C#N)CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000602776700 449800475 /nfs/dbraw/zinc/80/04/75/449800475.db2.gz AGWIGPTUVSFMJW-UHFFFAOYSA-N 3 2 335.540 1.917 20 0 EDADLP CCN(C#N)CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000602776700 449800478 /nfs/dbraw/zinc/80/04/78/449800478.db2.gz AGWIGPTUVSFMJW-UHFFFAOYSA-N 3 2 335.540 1.917 20 0 EDADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000608495632 449857781 /nfs/dbraw/zinc/85/77/81/449857781.db2.gz VEGLZLIVTNACGH-CABCVRRESA-N 2 2 328.420 1.367 20 0 EDADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000608495632 449857786 /nfs/dbraw/zinc/85/77/86/449857786.db2.gz VEGLZLIVTNACGH-CABCVRRESA-N 2 2 328.420 1.367 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2c(C3CC3)cnn2C)CC1 ZINC000597207496 449870380 /nfs/dbraw/zinc/87/03/80/449870380.db2.gz CPTOOBRLIAOGMH-UHFFFAOYSA-N 2 2 334.464 1.805 20 0 EDADLP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000602894649 449902586 /nfs/dbraw/zinc/90/25/86/449902586.db2.gz YPMNVKLJRANORX-GOSISDBHSA-N 2 2 336.432 1.241 20 0 EDADLP COC(=O)c1cccc(OCC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000602894649 449902592 /nfs/dbraw/zinc/90/25/92/449902592.db2.gz YPMNVKLJRANORX-GOSISDBHSA-N 2 2 336.432 1.241 20 0 EDADLP CN(C(=O)COc1cccnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601473613 449997043 /nfs/dbraw/zinc/99/70/43/449997043.db2.gz HCDXXLPHLMXACJ-INIZCTEOSA-N 2 2 332.448 1.087 20 0 EDADLP CN(C(=O)COc1cccnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601473613 449997049 /nfs/dbraw/zinc/99/70/49/449997049.db2.gz HCDXXLPHLMXACJ-INIZCTEOSA-N 2 2 332.448 1.087 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000595344116 450057409 /nfs/dbraw/zinc/05/74/09/450057409.db2.gz LTJCAALWRCALIU-OAHLLOKOSA-N 2 2 334.420 1.074 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(-c4ccoc4)no3)C2)CC1 ZINC000610250322 450164903 /nfs/dbraw/zinc/16/49/03/450164903.db2.gz RCTYSAQHURCOQV-MRXNPFEDSA-N 2 2 345.447 1.930 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(-c4ccoc4)no3)C2)CC1 ZINC000610250322 450164910 /nfs/dbraw/zinc/16/49/10/450164910.db2.gz RCTYSAQHURCOQV-MRXNPFEDSA-N 2 2 345.447 1.930 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615544470 450135234 /nfs/dbraw/zinc/13/52/34/450135234.db2.gz GJAXQKPBRYJAKV-OAHLLOKOSA-N 2 2 337.489 1.747 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC000619899755 450367305 /nfs/dbraw/zinc/36/73/05/450367305.db2.gz PDBRXMWGGIJLDC-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC000619899755 450367310 /nfs/dbraw/zinc/36/73/10/450367310.db2.gz PDBRXMWGGIJLDC-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000620412450 450483642 /nfs/dbraw/zinc/48/36/42/450483642.db2.gz AQNYEPBNWYBPQW-UHFFFAOYSA-N 2 2 329.404 1.211 20 0 EDADLP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000623359847 450505430 /nfs/dbraw/zinc/50/54/30/450505430.db2.gz FRXANCDBTDZIRE-SFHVURJKSA-N 2 2 348.491 1.658 20 0 EDADLP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000623359847 450505434 /nfs/dbraw/zinc/50/54/34/450505434.db2.gz FRXANCDBTDZIRE-SFHVURJKSA-N 2 2 348.491 1.658 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CCCO1 ZINC000623507590 450534121 /nfs/dbraw/zinc/53/41/21/450534121.db2.gz RHUGVIKGQZDBKD-OAHLLOKOSA-N 2 2 347.438 1.997 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CCCO1 ZINC000623507590 450534122 /nfs/dbraw/zinc/53/41/22/450534122.db2.gz RHUGVIKGQZDBKD-OAHLLOKOSA-N 2 2 347.438 1.997 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000625979010 450548115 /nfs/dbraw/zinc/54/81/15/450548115.db2.gz FCHOIYBIQBWMKW-INIZCTEOSA-N 2 2 346.475 1.229 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000623680805 450565019 /nfs/dbraw/zinc/56/50/19/450565019.db2.gz BQHVLDQEJWAUFG-NVXWUHKLSA-N 2 2 349.479 1.334 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000623726214 450573867 /nfs/dbraw/zinc/57/38/67/450573867.db2.gz FPZDVLUHHABEIM-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000623726214 450573869 /nfs/dbraw/zinc/57/38/69/450573869.db2.gz FPZDVLUHHABEIM-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623726214 450573870 /nfs/dbraw/zinc/57/38/70/450573870.db2.gz FPZDVLUHHABEIM-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623726214 450573873 /nfs/dbraw/zinc/57/38/73/450573873.db2.gz FPZDVLUHHABEIM-NVXWUHKLSA-N 2 2 338.496 1.413 20 0 EDADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000623838322 450610715 /nfs/dbraw/zinc/61/07/15/450610715.db2.gz PEPIRLFERQJJSC-KGLIPLIRSA-N 2 2 339.277 1.963 20 0 EDADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000623838322 450610718 /nfs/dbraw/zinc/61/07/18/450610718.db2.gz PEPIRLFERQJJSC-KGLIPLIRSA-N 2 2 339.277 1.963 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000633015359 450612305 /nfs/dbraw/zinc/61/23/05/450612305.db2.gz CYVMPDXEGLIPSQ-CABCVRRESA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000633015359 450612310 /nfs/dbraw/zinc/61/23/10/450612310.db2.gz CYVMPDXEGLIPSQ-CABCVRRESA-N 2 2 337.468 1.688 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]31)CC2 ZINC000626227053 450635181 /nfs/dbraw/zinc/63/51/81/450635181.db2.gz HWUQGBAJDJOJCQ-YYIAUSFCSA-N 2 2 346.475 1.464 20 0 EDADLP COc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000624084849 450700828 /nfs/dbraw/zinc/70/08/28/450700828.db2.gz SACPDDXPSAZPRQ-YJBOKZPZSA-N 2 2 333.476 1.946 20 0 EDADLP COc1ccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000624084849 450700836 /nfs/dbraw/zinc/70/08/36/450700836.db2.gz SACPDDXPSAZPRQ-YJBOKZPZSA-N 2 2 333.476 1.946 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635166170 450712170 /nfs/dbraw/zinc/71/21/70/450712170.db2.gz ZUZMTULAUXGMBK-QGZVFWFLSA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635166170 450712174 /nfs/dbraw/zinc/71/21/74/450712174.db2.gz ZUZMTULAUXGMBK-QGZVFWFLSA-N 2 2 344.459 1.551 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1ccccc1 ZINC000631685006 450715814 /nfs/dbraw/zinc/71/58/14/450715814.db2.gz QKUOIZFRCXORMW-HNNXBMFYSA-N 2 2 336.461 1.381 20 0 EDADLP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000629522144 450725293 /nfs/dbraw/zinc/72/52/93/450725293.db2.gz WEPGOIHEBVZFJO-LLVKDONJSA-N 2 2 330.425 1.388 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1Cl ZINC000629528476 450725810 /nfs/dbraw/zinc/72/58/10/450725810.db2.gz AAANHXFIEQRNLK-ZDUSSCGKSA-N 2 2 325.840 1.865 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1Cl ZINC000629528476 450725817 /nfs/dbraw/zinc/72/58/17/450725817.db2.gz AAANHXFIEQRNLK-ZDUSSCGKSA-N 2 2 325.840 1.865 20 0 EDADLP CCCn1c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)nc2ccccc21 ZINC000629654139 450772037 /nfs/dbraw/zinc/77/20/37/450772037.db2.gz VWXQCTOTJOZZIL-UHFFFAOYSA-N 2 2 326.404 1.690 20 0 EDADLP COc1cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)ccc1OC(F)F ZINC000629656349 450772138 /nfs/dbraw/zinc/77/21/38/450772138.db2.gz QEIZNUSAYQKANU-UHFFFAOYSA-N 2 2 340.330 1.541 20 0 EDADLP CN(C)[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1c(F)cccc1F ZINC000629567716 450740743 /nfs/dbraw/zinc/74/07/43/450740743.db2.gz QHLVIVMJKMUUDM-XJKSGUPXSA-N 2 2 327.419 1.614 20 0 EDADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629571988 450742107 /nfs/dbraw/zinc/74/21/07/450742107.db2.gz LJVMGTXJZMIQTF-HZPDHXFCSA-N 2 2 340.489 1.285 20 0 EDADLP CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629573333 450742875 /nfs/dbraw/zinc/74/28/75/450742875.db2.gz FKLMIIAGYDRAGT-OAHLLOKOSA-N 2 2 326.462 1.027 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)COC1CCOCC1 ZINC000629604313 450759001 /nfs/dbraw/zinc/75/90/01/450759001.db2.gz JLPFRBYSDFSQEQ-IAGOWNOFSA-N 2 2 326.481 1.540 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)COC1CCOCC1 ZINC000629604313 450759007 /nfs/dbraw/zinc/75/90/07/450759007.db2.gz JLPFRBYSDFSQEQ-IAGOWNOFSA-N 2 2 326.481 1.540 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)CC(C)(C)C ZINC000635222711 450765561 /nfs/dbraw/zinc/76/55/61/450765561.db2.gz HFPABFMJOKSKAQ-UHFFFAOYSA-N 2 2 334.464 1.512 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)CC(C)(C)C ZINC000635222711 450765563 /nfs/dbraw/zinc/76/55/63/450765563.db2.gz HFPABFMJOKSKAQ-UHFFFAOYSA-N 2 2 334.464 1.512 20 0 EDADLP COc1cc(Br)c(C[N@H+](C)CCOCC[NH3+])c(OC)c1 ZINC000629661104 450774327 /nfs/dbraw/zinc/77/43/27/450774327.db2.gz BFEDPXBKJRSBOR-UHFFFAOYSA-N 2 2 347.253 1.873 20 0 EDADLP COc1cc(Br)c(C[N@@H+](C)CCOCC[NH3+])c(OC)c1 ZINC000629661104 450774332 /nfs/dbraw/zinc/77/43/32/450774332.db2.gz BFEDPXBKJRSBOR-UHFFFAOYSA-N 2 2 347.253 1.873 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000621641358 450807027 /nfs/dbraw/zinc/80/70/27/450807027.db2.gz HVACFOZLOJFOFF-SFHVURJKSA-N 2 2 345.487 1.989 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844373 450814117 /nfs/dbraw/zinc/81/41/17/450814117.db2.gz WZNUZKKLVQRJFI-CZUORRHYSA-N 2 2 341.459 1.954 20 0 EDADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844373 450814120 /nfs/dbraw/zinc/81/41/20/450814120.db2.gz WZNUZKKLVQRJFI-CZUORRHYSA-N 2 2 341.459 1.954 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@H]3COCC[N@H+]3C)C2)cc1 ZINC000633370484 450822901 /nfs/dbraw/zinc/82/29/01/450822901.db2.gz DNSAMEOATYXWPC-MSOLQXFVSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@H]3COCC[N@@H+]3C)C2)cc1 ZINC000633370484 450822908 /nfs/dbraw/zinc/82/29/08/450822908.db2.gz DNSAMEOATYXWPC-MSOLQXFVSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@H]3COCC[NH+]3C)C2)cc1 ZINC000633370484 450822917 /nfs/dbraw/zinc/82/29/17/450822917.db2.gz DNSAMEOATYXWPC-MSOLQXFVSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@H]3COCC[NH+]3C)C2)cc1 ZINC000633370484 450822920 /nfs/dbraw/zinc/82/29/20/450822920.db2.gz DNSAMEOATYXWPC-MSOLQXFVSA-N 2 2 346.475 1.199 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000635300103 450826605 /nfs/dbraw/zinc/82/66/05/450826605.db2.gz JPYKAYGWYGNHAU-UHFFFAOYSA-N 2 2 343.431 1.606 20 0 EDADLP C[C@@H]1C[N@H+](CCNc2nc3ccccc3n3c[nH+]cc23)[C@H](C)CO1 ZINC000624392683 450829017 /nfs/dbraw/zinc/82/90/17/450829017.db2.gz XCUHYDHBFQIBHQ-ZIAGYGMSSA-N 2 2 325.416 2.404 20 0 EDADLP C[C@@H]1C[N@@H+](CCNc2nc3ccccc3n3c[nH+]cc23)[C@H](C)CO1 ZINC000624392683 450829022 /nfs/dbraw/zinc/82/90/22/450829022.db2.gz XCUHYDHBFQIBHQ-ZIAGYGMSSA-N 2 2 325.416 2.404 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635313642 450837751 /nfs/dbraw/zinc/83/77/51/450837751.db2.gz ZVNXFWKHSMQFDO-UHFFFAOYSA-N 2 2 346.475 1.812 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000631822673 450797970 /nfs/dbraw/zinc/79/79/70/450797970.db2.gz KWHAULIPOOMJQM-GJZGRUSLSA-N 2 2 347.463 1.102 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000631822673 450797977 /nfs/dbraw/zinc/79/79/77/450797977.db2.gz KWHAULIPOOMJQM-GJZGRUSLSA-N 2 2 347.463 1.102 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834523 450804318 /nfs/dbraw/zinc/80/43/18/450804318.db2.gz ZCSYYNDOMWGTMS-QZTJIDSGSA-N 2 2 344.503 1.927 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834523 450804321 /nfs/dbraw/zinc/80/43/21/450804321.db2.gz ZCSYYNDOMWGTMS-QZTJIDSGSA-N 2 2 344.503 1.927 20 0 EDADLP Cc1cc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cn2cc[nH+]c12 ZINC000626573320 450804640 /nfs/dbraw/zinc/80/46/40/450804640.db2.gz UMRSACKXJMBLLW-AWEZNQCLSA-N 2 2 344.419 1.104 20 0 EDADLP Cc1cc(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cn2cc[nH+]c12 ZINC000626573320 450804644 /nfs/dbraw/zinc/80/46/44/450804644.db2.gz UMRSACKXJMBLLW-AWEZNQCLSA-N 2 2 344.419 1.104 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888609 450850597 /nfs/dbraw/zinc/85/05/97/450850597.db2.gz XUUAFVWBKUZKAL-NVXWUHKLSA-N 2 2 349.450 1.737 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888609 450850603 /nfs/dbraw/zinc/85/06/03/450850603.db2.gz XUUAFVWBKUZKAL-NVXWUHKLSA-N 2 2 349.450 1.737 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000626705597 450861657 /nfs/dbraw/zinc/86/16/57/450861657.db2.gz AFJQQLWCXXESNB-NZSAHSFTSA-N 2 2 345.487 1.511 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626705597 450861661 /nfs/dbraw/zinc/86/16/61/450861661.db2.gz AFJQQLWCXXESNB-NZSAHSFTSA-N 2 2 345.487 1.511 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCn2cnc3ccccc32)C[C@@H](C)O1 ZINC000624494401 450865766 /nfs/dbraw/zinc/86/57/66/450865766.db2.gz GODWGFLKISQCGS-BZUAXINKSA-N 2 2 332.448 1.096 20 0 EDADLP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629915050 450883699 /nfs/dbraw/zinc/88/36/99/450883699.db2.gz BVYUHGLFQDKJAS-HNNXBMFYSA-N 2 2 344.459 1.562 20 0 EDADLP CCCc1[nH+]c2ccccc2n1CCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629915050 450883706 /nfs/dbraw/zinc/88/37/06/450883706.db2.gz BVYUHGLFQDKJAS-HNNXBMFYSA-N 2 2 344.459 1.562 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)c2)CC1 ZINC000635419227 450925671 /nfs/dbraw/zinc/92/56/71/450925671.db2.gz OOTCYPVSMRSKEE-IAGOWNOFSA-N 2 2 339.443 1.899 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635496790 450992965 /nfs/dbraw/zinc/99/29/65/450992965.db2.gz SMRJBRCCJVPEBB-KRWDZBQOSA-N 2 2 347.463 1.171 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)C12CCC[NH+](CCC1)C2 ZINC000635490364 450986563 /nfs/dbraw/zinc/98/65/63/450986563.db2.gz STXJPEQSUIDHBK-UHFFFAOYSA-N 2 2 330.354 1.938 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635496790 450992971 /nfs/dbraw/zinc/99/29/71/450992971.db2.gz SMRJBRCCJVPEBB-KRWDZBQOSA-N 2 2 347.463 1.171 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000626910388 450999620 /nfs/dbraw/zinc/99/96/20/450999620.db2.gz OMCALSUGSHEBGO-GXFFZTMASA-N 2 2 341.415 1.256 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC1(C[NH3+])CCOCC1)c1ccccc1 ZINC000626927018 451010202 /nfs/dbraw/zinc/01/02/02/451010202.db2.gz IQPZRNZGTKOIPB-OAHLLOKOSA-N 2 2 343.431 1.317 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000626932006 451014483 /nfs/dbraw/zinc/01/44/83/451014483.db2.gz PXVMDLJZVOMFDZ-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635532596 451028687 /nfs/dbraw/zinc/02/86/87/451028687.db2.gz JXYXCDCHJUOYGC-STQMWFEESA-N 2 2 347.385 1.129 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635538747 451033922 /nfs/dbraw/zinc/03/39/22/451033922.db2.gz ORSBMMHZAINZLP-CQSZACIVSA-N 2 2 326.400 1.792 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635538747 451033930 /nfs/dbraw/zinc/03/39/30/451033930.db2.gz ORSBMMHZAINZLP-CQSZACIVSA-N 2 2 326.400 1.792 20 0 EDADLP C[C@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1[nH+]ccn1C ZINC000627118250 451133891 /nfs/dbraw/zinc/13/38/91/451133891.db2.gz VWOFWYOFBXVLIW-ZFWWWQNUSA-N 2 2 335.452 1.281 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000627130250 451140836 /nfs/dbraw/zinc/14/08/36/451140836.db2.gz OTRXNAQAWLMCIP-IAGOWNOFSA-N 3 2 349.523 1.081 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000627130250 451140839 /nfs/dbraw/zinc/14/08/39/451140839.db2.gz OTRXNAQAWLMCIP-IAGOWNOFSA-N 3 2 349.523 1.081 20 0 EDADLP CC(C)C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000635684981 451167744 /nfs/dbraw/zinc/16/77/44/451167744.db2.gz BIESIEPNVUVZNH-IRXDYDNUSA-N 2 2 334.464 1.840 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C[NH2+]1 ZINC000627200767 451183811 /nfs/dbraw/zinc/18/38/11/451183811.db2.gz CEDIODJMJFIMSH-RHSMWYFYSA-N 2 2 334.439 1.793 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000627238844 451204507 /nfs/dbraw/zinc/20/45/07/451204507.db2.gz PJPRDGXGYLQXAO-RLFYNMQTSA-N 2 2 346.475 1.834 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000627251092 451209253 /nfs/dbraw/zinc/20/92/53/451209253.db2.gz UXDDYDRNUCZFJW-DOTOQJQBSA-N 2 2 346.475 1.663 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000627251092 451209259 /nfs/dbraw/zinc/20/92/59/451209259.db2.gz UXDDYDRNUCZFJW-DOTOQJQBSA-N 2 2 346.475 1.663 20 0 EDADLP CCOCCO[C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194656 451231329 /nfs/dbraw/zinc/23/13/29/451231329.db2.gz MRZXYGKQAJELID-AWEZNQCLSA-N 2 2 336.436 1.214 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CSc3ccncc3)c2)CC1 ZINC000634197866 451233856 /nfs/dbraw/zinc/23/38/56/451233856.db2.gz LXDIUXGBCWPMPB-UHFFFAOYSA-N 2 2 343.456 1.959 20 0 EDADLP C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195917 451234334 /nfs/dbraw/zinc/23/43/34/451234334.db2.gz JNEOMCADWVPOAD-CZUORRHYSA-N 2 2 330.432 1.777 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(S(=O)(=O)CC2([NH+](C)C)CC2)CC1(C)C ZINC000632390813 451245166 /nfs/dbraw/zinc/24/51/66/451245166.db2.gz KYIILRLHKCLCFO-GFCCVEGCSA-N 2 2 326.466 1.227 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000638082608 451246108 /nfs/dbraw/zinc/24/61/08/451246108.db2.gz HKGCQFYSFRHVBI-GUYCJALGSA-N 2 2 332.379 1.395 20 0 EDADLP C[NH+](C)[C@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000640324569 451254766 /nfs/dbraw/zinc/25/47/66/451254766.db2.gz STQVTKGUFQKPSW-HOTGVXAUSA-N 2 2 339.867 1.516 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638102548 451269377 /nfs/dbraw/zinc/26/93/77/451269377.db2.gz IVVCYGKMSZLPFY-VQIMIIECSA-N 2 2 343.471 1.783 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000638111451 451279528 /nfs/dbraw/zinc/27/95/28/451279528.db2.gz DZLHZLYWPFNRNF-AAEUAGOBSA-N 2 2 331.507 1.558 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000638111451 451279532 /nfs/dbraw/zinc/27/95/32/451279532.db2.gz DZLHZLYWPFNRNF-AAEUAGOBSA-N 2 2 331.507 1.558 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000638111451 451279534 /nfs/dbraw/zinc/27/95/34/451279534.db2.gz DZLHZLYWPFNRNF-AAEUAGOBSA-N 2 2 331.507 1.558 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000638111451 451279539 /nfs/dbraw/zinc/27/95/39/451279539.db2.gz DZLHZLYWPFNRNF-AAEUAGOBSA-N 2 2 331.507 1.558 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000636587628 451327365 /nfs/dbraw/zinc/32/73/65/451327365.db2.gz IAIQBPFBYHUFTN-IAGOWNOFSA-N 2 2 339.443 1.772 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000636587628 451327371 /nfs/dbraw/zinc/32/73/71/451327371.db2.gz IAIQBPFBYHUFTN-IAGOWNOFSA-N 2 2 339.443 1.772 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636589589 451331214 /nfs/dbraw/zinc/33/12/14/451331214.db2.gz KQMHEMWCWCRELU-ZDUSSCGKSA-N 2 2 331.424 1.557 20 0 EDADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638215240 451358362 /nfs/dbraw/zinc/35/83/62/451358362.db2.gz NWXDDNANRJKFCX-IIAWOOMASA-N 2 2 326.400 1.695 20 0 EDADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638215240 451358369 /nfs/dbraw/zinc/35/83/69/451358369.db2.gz NWXDDNANRJKFCX-IIAWOOMASA-N 2 2 326.400 1.695 20 0 EDADLP Cc1cn2ccc(C(=O)N3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2[nH+]1 ZINC000638261225 451384836 /nfs/dbraw/zinc/38/48/36/451384836.db2.gz GGSLDOLGGJGWRF-HNNXBMFYSA-N 2 2 328.416 1.470 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC[N@@H+]1C ZINC000630688502 451342051 /nfs/dbraw/zinc/34/20/51/451342051.db2.gz AUQQSZBIVZNTSV-JKSUJKDBSA-N 2 2 332.448 1.265 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC[N@H+]1C ZINC000630688502 451342055 /nfs/dbraw/zinc/34/20/55/451342055.db2.gz AUQQSZBIVZNTSV-JKSUJKDBSA-N 2 2 332.448 1.265 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)c1ccco1 ZINC000636604864 451344485 /nfs/dbraw/zinc/34/44/85/451344485.db2.gz YXSFHROXWYOBCK-ZDUSSCGKSA-N 2 2 347.419 1.160 20 0 EDADLP O[C@]1(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634645230 451438912 /nfs/dbraw/zinc/43/89/12/451438912.db2.gz JUQCIXPBOKLGEN-SLFFLAALSA-N 2 2 346.471 1.503 20 0 EDADLP O[C@]1(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634645230 451438918 /nfs/dbraw/zinc/43/89/18/451438918.db2.gz JUQCIXPBOKLGEN-SLFFLAALSA-N 2 2 346.471 1.503 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@H]([C@@H]3CCCO3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634645230 451438921 /nfs/dbraw/zinc/43/89/21/451438921.db2.gz JUQCIXPBOKLGEN-SLFFLAALSA-N 2 2 346.471 1.503 20 0 EDADLP O[C@]1(C[NH+]2CCO[C@H]([C@@H]3CCCO3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634645230 451438926 /nfs/dbraw/zinc/43/89/26/451438926.db2.gz JUQCIXPBOKLGEN-SLFFLAALSA-N 2 2 346.471 1.503 20 0 EDADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638274430 451393176 /nfs/dbraw/zinc/39/31/76/451393176.db2.gz FVYTYWDIMCOXCK-VQIMIIECSA-N 2 2 346.519 1.634 20 0 EDADLP C[NH+]1CCN(CC(=O)N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000628771646 451406717 /nfs/dbraw/zinc/40/67/17/451406717.db2.gz CECPXIUQRMZZEL-MRXNPFEDSA-N 2 2 331.395 1.002 20 0 EDADLP Nc1ncc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(N)n1 ZINC000638307843 451420869 /nfs/dbraw/zinc/42/08/69/451420869.db2.gz DASYPXXPPKTBSI-UHFFFAOYSA-N 2 2 346.866 1.709 20 0 EDADLP O=c1c2c([nH]n1CCCn1cc[nH+]c1)CC[N@@H+](Cc1ccccc1)C2 ZINC000634634035 451427152 /nfs/dbraw/zinc/42/71/52/451427152.db2.gz MCSWFOXCZRWHDO-QGZVFWFLSA-N 2 2 337.427 1.994 20 0 EDADLP O=c1c2c([nH]n1CCCn1cc[nH+]c1)CC[N@H+](Cc1ccccc1)C2 ZINC000634634035 451427156 /nfs/dbraw/zinc/42/71/56/451427156.db2.gz MCSWFOXCZRWHDO-QGZVFWFLSA-N 2 2 337.427 1.994 20 0 EDADLP CC[C@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000638353681 451453913 /nfs/dbraw/zinc/45/39/13/451453913.db2.gz CKCRPQZHQXSAIL-CQSZACIVSA-N 2 2 331.526 1.701 20 0 EDADLP Cc1nc(N2CCN(C(=O)Nc3cc[nH+]c(N(C)C)c3)CC2)cc[nH+]1 ZINC000640614048 451460705 /nfs/dbraw/zinc/46/07/05/451460705.db2.gz ZSNQOGOLSPEQHN-UHFFFAOYSA-N 2 2 341.419 1.600 20 0 EDADLP CCn1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000630863555 451447100 /nfs/dbraw/zinc/44/71/00/451447100.db2.gz YLIABXGWAZKVCA-UHFFFAOYSA-N 2 2 333.480 1.500 20 0 EDADLP O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719574 451499988 /nfs/dbraw/zinc/49/99/88/451499988.db2.gz VPHFFEAXHFXVMY-QHAWAJNXSA-N 2 2 338.451 1.871 20 0 EDADLP O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719574 451499993 /nfs/dbraw/zinc/49/99/93/451499993.db2.gz VPHFFEAXHFXVMY-QHAWAJNXSA-N 2 2 338.451 1.871 20 0 EDADLP OC[C@@H](CC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720535 451501640 /nfs/dbraw/zinc/50/16/40/451501640.db2.gz LGABKDYQARIMAT-CABCVRRESA-N 2 2 332.366 1.526 20 0 EDADLP OC[C@@H](CC(F)(F)F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720535 451501642 /nfs/dbraw/zinc/50/16/42/451501642.db2.gz LGABKDYQARIMAT-CABCVRRESA-N 2 2 332.366 1.526 20 0 EDADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1(C)C ZINC000636092400 451510301 /nfs/dbraw/zinc/51/03/01/451510301.db2.gz TWQJKNBGZMSQDP-ZWKOTPCHSA-N 2 2 345.487 1.977 20 0 EDADLP CC(C)NC(=O)CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631038640 451545845 /nfs/dbraw/zinc/54/58/45/451545845.db2.gz FERNGWVEEDBKMY-UHFFFAOYSA-N 2 2 349.475 1.402 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ncnn3C(C)C)cn2)CC1 ZINC000631046422 451552552 /nfs/dbraw/zinc/55/25/52/451552552.db2.gz HMTHYGRHEMZNRY-UHFFFAOYSA-N 2 2 343.479 1.686 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000638517770 451555374 /nfs/dbraw/zinc/55/53/74/451555374.db2.gz CDARDQHNJCNJTM-UHFFFAOYSA-N 2 2 334.445 1.711 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000631064808 451563932 /nfs/dbraw/zinc/56/39/32/451563932.db2.gz NZNCLWFNGNFHSU-GOSISDBHSA-N 2 2 345.487 1.724 20 0 EDADLP O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631070608 451568651 /nfs/dbraw/zinc/56/86/51/451568651.db2.gz BGMDHFFJYVEUAQ-RBUKOAKNSA-N 2 2 334.460 1.791 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000636244965 451615658 /nfs/dbraw/zinc/61/56/58/451615658.db2.gz PZEJQRCYXDGBGS-RTBURBONSA-N 2 2 344.503 1.261 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000636244965 451615663 /nfs/dbraw/zinc/61/56/63/451615663.db2.gz PZEJQRCYXDGBGS-RTBURBONSA-N 2 2 344.503 1.261 20 0 EDADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000636244965 451615667 /nfs/dbraw/zinc/61/56/67/451615667.db2.gz PZEJQRCYXDGBGS-RTBURBONSA-N 2 2 344.503 1.261 20 0 EDADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000636244965 451615672 /nfs/dbraw/zinc/61/56/72/451615672.db2.gz PZEJQRCYXDGBGS-RTBURBONSA-N 2 2 344.503 1.261 20 0 EDADLP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000634962590 451625874 /nfs/dbraw/zinc/62/58/74/451625874.db2.gz XGLRGGUEQJQNMN-UHFFFAOYSA-N 2 2 328.416 1.790 20 0 EDADLP COCCc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000631178758 451628012 /nfs/dbraw/zinc/62/80/12/451628012.db2.gz VLLWTTJUMYVHMV-CQSZACIVSA-N 2 2 325.478 1.675 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637007064 451675683 /nfs/dbraw/zinc/67/56/83/451675683.db2.gz FIKOTTNXZMKQQZ-OAHLLOKOSA-N 2 2 340.431 1.419 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784063 451690842 /nfs/dbraw/zinc/69/08/42/451690842.db2.gz DWVHCTXEYNWBTH-KRWDZBQOSA-N 2 2 346.475 1.379 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cnn4c3CCCC4)C2)CC1 ZINC000631259157 451667711 /nfs/dbraw/zinc/66/77/11/451667711.db2.gz LXNLGFCLQBOLSK-INIZCTEOSA-N 2 2 345.491 1.047 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cnn4c3CCCC4)C2)CC1 ZINC000631259157 451667713 /nfs/dbraw/zinc/66/77/13/451667713.db2.gz LXNLGFCLQBOLSK-INIZCTEOSA-N 2 2 345.491 1.047 20 0 EDADLP Cc1cccc2[nH+]c(Cn3cc(CN4CC[NH+](C)CC4)nn3)cn21 ZINC000641029987 451735057 /nfs/dbraw/zinc/73/50/57/451735057.db2.gz LVNSIHYJZXWYBL-UHFFFAOYSA-N 2 2 325.420 1.030 20 0 EDADLP Cn1nc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2ccccc21 ZINC000638984089 451745661 /nfs/dbraw/zinc/74/56/61/451745661.db2.gz QUMWEGOQILAEFD-UHFFFAOYSA-N 2 2 336.399 1.630 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(F)c(O)c(F)c1 ZINC000638984756 451746012 /nfs/dbraw/zinc/74/60/12/451746012.db2.gz QTHHKKWMDSNQKL-UHFFFAOYSA-N 2 2 334.326 1.727 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000641163432 451766475 /nfs/dbraw/zinc/76/64/75/451766475.db2.gz KIUSHQQJKRPFGR-CQSZACIVSA-N 2 2 332.448 1.152 20 0 EDADLP COCC[C@@H]([NH3+])Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2C)nn1 ZINC000641165144 451766769 /nfs/dbraw/zinc/76/67/69/451766769.db2.gz YBIQZVLVDKBZFB-MRXNPFEDSA-N 2 2 340.431 1.727 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnc(N)nc2N)CC1 ZINC000639122849 451772050 /nfs/dbraw/zinc/77/20/50/451772050.db2.gz GMUKUNVOHFLIBS-UHFFFAOYSA-N 2 2 337.431 1.797 20 0 EDADLP Nc1ncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(N)n1 ZINC000639153657 451779060 /nfs/dbraw/zinc/77/90/60/451779060.db2.gz HPQJHHSFICMRLT-GFCCVEGCSA-N 2 2 327.436 1.214 20 0 EDADLP Nc1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(N)n1 ZINC000639153657 451779061 /nfs/dbraw/zinc/77/90/61/451779061.db2.gz HPQJHHSFICMRLT-GFCCVEGCSA-N 2 2 327.436 1.214 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)Cn3cc(CCC[NH3+])nn3)c2cc1C ZINC000641213304 451783319 /nfs/dbraw/zinc/78/33/19/451783319.db2.gz DCWLXOCCUSKDSB-HNNXBMFYSA-N 2 2 328.420 1.197 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC000639264264 451800878 /nfs/dbraw/zinc/80/08/78/451800878.db2.gz NOLZUEZUSXLFDR-QZTJIDSGSA-N 2 2 343.475 1.925 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ncnn1CC ZINC000639264264 451800880 /nfs/dbraw/zinc/80/08/80/451800880.db2.gz NOLZUEZUSXLFDR-QZTJIDSGSA-N 2 2 343.475 1.925 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@H]1CC[N@H+](C)C1 ZINC000646766073 451827444 /nfs/dbraw/zinc/82/74/44/451827444.db2.gz RLXGCOSYIKNPTI-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1)[C@H]1CC[N@@H+](C)C1 ZINC000646766073 451827448 /nfs/dbraw/zinc/82/74/48/451827448.db2.gz RLXGCOSYIKNPTI-HNNXBMFYSA-N 2 2 343.431 1.524 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000642304517 451856328 /nfs/dbraw/zinc/85/63/28/451856328.db2.gz FPVQVFAYUGSLPV-MRXNPFEDSA-N 2 2 346.475 1.278 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000642304517 451856332 /nfs/dbraw/zinc/85/63/32/451856332.db2.gz FPVQVFAYUGSLPV-MRXNPFEDSA-N 2 2 346.475 1.278 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)Cc1cn3ccccc3[nH+]1)CCO2 ZINC000649135252 451868882 /nfs/dbraw/zinc/86/88/82/451868882.db2.gz QEROTERGGAEYFO-UHFFFAOYSA-N 2 2 328.416 1.200 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649210876 451907116 /nfs/dbraw/zinc/90/71/16/451907116.db2.gz PXCFIYKGILPFSK-SJLPKXTDSA-N 3 2 347.507 1.320 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649210876 451907121 /nfs/dbraw/zinc/90/71/21/451907121.db2.gz PXCFIYKGILPFSK-SJLPKXTDSA-N 3 2 347.507 1.320 20 0 EDADLP C[C@@H]1[C@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC[N@@H+]1C ZINC000649209738 451907424 /nfs/dbraw/zinc/90/74/24/451907424.db2.gz KWSRSFHMGWKHRZ-TZMCWYRMSA-N 2 2 343.431 1.678 20 0 EDADLP C[C@@H]1[C@H](C(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC[N@H+]1C ZINC000649209738 451907426 /nfs/dbraw/zinc/90/74/26/451907426.db2.gz KWSRSFHMGWKHRZ-TZMCWYRMSA-N 2 2 343.431 1.678 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641412487 451950630 /nfs/dbraw/zinc/95/06/30/451950630.db2.gz QXVABHWNQRTGHN-OAHLLOKOSA-N 2 2 336.461 1.323 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641412487 451950636 /nfs/dbraw/zinc/95/06/36/451950636.db2.gz QXVABHWNQRTGHN-OAHLLOKOSA-N 2 2 336.461 1.323 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649272877 451945236 /nfs/dbraw/zinc/94/52/36/451945236.db2.gz LXNGEQWDUSUJIU-SZMVWBNQSA-N 3 2 341.459 1.045 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000649282465 451955945 /nfs/dbraw/zinc/95/59/45/451955945.db2.gz YSVBTFDCDRLIHQ-ZIAGYGMSSA-N 2 2 334.370 1.871 20 0 EDADLP COC[C@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000649306589 451983774 /nfs/dbraw/zinc/98/37/74/451983774.db2.gz ZPKZTXXXGPLVOI-SFHVURJKSA-N 2 2 333.432 1.226 20 0 EDADLP CN(C(=O)CCc1cncnc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644795686 451993843 /nfs/dbraw/zinc/99/38/43/451993843.db2.gz JKVNSOOUKYQOMI-KRWDZBQOSA-N 2 2 331.464 1.036 20 0 EDADLP CN(C(=O)CCc1cncnc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644795686 451993848 /nfs/dbraw/zinc/99/38/48/451993848.db2.gz JKVNSOOUKYQOMI-KRWDZBQOSA-N 2 2 331.464 1.036 20 0 EDADLP O[C@@H](C[NH+]1CCC([NH2+]Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC000639660664 452006836 /nfs/dbraw/zinc/00/68/36/452006836.db2.gz IXJMMENTVYLFML-LJQANCHMSA-N 2 2 348.487 1.533 20 0 EDADLP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(CO)cc[nH+]1 ZINC000641503132 452036104 /nfs/dbraw/zinc/03/61/04/452036104.db2.gz CDHLPLPESWXVBF-IBGZPJMESA-N 2 2 327.428 1.647 20 0 EDADLP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(CO)cc[nH+]1 ZINC000641503132 452036111 /nfs/dbraw/zinc/03/61/11/452036111.db2.gz CDHLPLPESWXVBF-IBGZPJMESA-N 2 2 327.428 1.647 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000649414519 452075801 /nfs/dbraw/zinc/07/58/01/452075801.db2.gz FAEVRBNNUOGRFO-MOPGFXCFSA-N 3 2 346.519 1.449 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000649414519 452075804 /nfs/dbraw/zinc/07/58/04/452075804.db2.gz FAEVRBNNUOGRFO-MOPGFXCFSA-N 3 2 346.519 1.449 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415228 452077912 /nfs/dbraw/zinc/07/79/12/452077912.db2.gz QFQYUSVGGKAHIE-ARFHVFGLSA-N 2 2 333.480 1.828 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415228 452077918 /nfs/dbraw/zinc/07/79/18/452077918.db2.gz QFQYUSVGGKAHIE-ARFHVFGLSA-N 2 2 333.480 1.828 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000649416236 452077932 /nfs/dbraw/zinc/07/79/32/452077932.db2.gz ZVBDTMSVLXWFAV-UHFFFAOYSA-N 2 2 334.439 1.288 20 0 EDADLP Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000649420482 452082274 /nfs/dbraw/zinc/08/22/74/452082274.db2.gz YIOHMMAXMWRXAV-AWEZNQCLSA-N 2 2 325.420 1.461 20 0 EDADLP Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000649420482 452082278 /nfs/dbraw/zinc/08/22/78/452082278.db2.gz YIOHMMAXMWRXAV-AWEZNQCLSA-N 2 2 325.420 1.461 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000639762379 452101346 /nfs/dbraw/zinc/10/13/46/452101346.db2.gz SGQZXNWLEQEDGD-BEFAXECRSA-N 2 2 347.459 1.296 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000639762379 452101348 /nfs/dbraw/zinc/10/13/48/452101348.db2.gz SGQZXNWLEQEDGD-BEFAXECRSA-N 2 2 347.459 1.296 20 0 EDADLP CC(C)Cn1nccc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000647176717 452107693 /nfs/dbraw/zinc/10/76/93/452107693.db2.gz WAXXUUMXUZDBFR-UHFFFAOYSA-N 2 2 342.491 1.976 20 0 EDADLP C[C@@H]1CN(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000637864016 452120747 /nfs/dbraw/zinc/12/07/47/452120747.db2.gz KJXCJWHNPALYHM-IIDMSEBBSA-N 2 2 346.475 1.015 20 0 EDADLP C[C@@H]1CN(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000637864016 452120751 /nfs/dbraw/zinc/12/07/51/452120751.db2.gz KJXCJWHNPALYHM-IIDMSEBBSA-N 2 2 346.475 1.015 20 0 EDADLP Oc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000643310706 452126814 /nfs/dbraw/zinc/12/68/14/452126814.db2.gz CAXJKWWDBHSPJK-APWZRJJASA-N 2 2 345.487 1.766 20 0 EDADLP CN(Cc1cc2n(n1)CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649570019 452149673 /nfs/dbraw/zinc/14/96/73/452149673.db2.gz KHVWLTGFLSJIEF-IBGZPJMESA-N 2 2 331.508 1.820 20 0 EDADLP CN(Cc1cc2n(n1)CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649570019 452149676 /nfs/dbraw/zinc/14/96/76/452149676.db2.gz KHVWLTGFLSJIEF-IBGZPJMESA-N 2 2 331.508 1.820 20 0 EDADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000653896398 452165905 /nfs/dbraw/zinc/16/59/05/452165905.db2.gz ROYLEDKBUWSOCC-MRXNPFEDSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000653896398 452165911 /nfs/dbraw/zinc/16/59/11/452165911.db2.gz ROYLEDKBUWSOCC-MRXNPFEDSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)CCO1 ZINC000639875862 452211862 /nfs/dbraw/zinc/21/18/62/452211862.db2.gz BNWSNLXJFRTTAJ-IAGOWNOFSA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)CCO1 ZINC000639875862 452211868 /nfs/dbraw/zinc/21/18/68/452211868.db2.gz BNWSNLXJFRTTAJ-IAGOWNOFSA-N 2 2 325.497 1.282 20 0 EDADLP Fc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c(F)c1 ZINC000643462934 452234839 /nfs/dbraw/zinc/23/48/39/452234839.db2.gz OMVNMLDYBPXTKU-BMGDILEWSA-N 2 2 337.414 1.900 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652066115 452257468 /nfs/dbraw/zinc/25/74/68/452257468.db2.gz YHGARRMJWQNBFR-IAGOWNOFSA-N 2 2 328.416 1.954 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000652066115 452257473 /nfs/dbraw/zinc/25/74/73/452257473.db2.gz YHGARRMJWQNBFR-IAGOWNOFSA-N 2 2 328.416 1.954 20 0 EDADLP FC1(F)CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641788648 452265514 /nfs/dbraw/zinc/26/55/14/452265514.db2.gz ZNNDJAHWEDAOIR-MRXNPFEDSA-N 2 2 331.451 1.951 20 0 EDADLP C[N@@H+]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000647539359 452272625 /nfs/dbraw/zinc/27/26/25/452272625.db2.gz WKLQSIAMPNHEPD-GOSISDBHSA-N 3 2 332.492 1.236 20 0 EDADLP C[N@H+]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000647539359 452272636 /nfs/dbraw/zinc/27/26/36/452272636.db2.gz WKLQSIAMPNHEPD-GOSISDBHSA-N 3 2 332.492 1.236 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000647551201 452276560 /nfs/dbraw/zinc/27/65/60/452276560.db2.gz ADKYKEQVSQFBSR-CRAIPNDOSA-N 2 2 330.476 1.761 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000659432369 452277034 /nfs/dbraw/zinc/27/70/34/452277034.db2.gz XRWHHLKKEVUXBA-UHFFFAOYSA-N 2 2 346.475 1.590 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)n12 ZINC000641803951 452279280 /nfs/dbraw/zinc/27/92/80/452279280.db2.gz WFXBROKDTHEGKH-ZIAGYGMSSA-N 2 2 340.431 1.105 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH+]2CCOCC2)c1 ZINC000659433823 452279661 /nfs/dbraw/zinc/27/96/61/452279661.db2.gz GLZGCDNEHHVLBB-KRWDZBQOSA-N 2 2 348.491 1.747 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000655500105 452298616 /nfs/dbraw/zinc/29/86/16/452298616.db2.gz LAIQUGYLQQJBPN-HNNXBMFYSA-N 2 2 345.422 1.718 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)c1c(F)cccc1F ZINC000659455670 452307006 /nfs/dbraw/zinc/30/70/06/452307006.db2.gz BQISVEWFCHUVFR-WKXXDYOBSA-N 2 2 338.402 1.700 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(C)C[NH2+]CCO3)n2)C1 ZINC000638050516 452320677 /nfs/dbraw/zinc/32/06/77/452320677.db2.gz OXQUOOXADFMRJY-MLGOLLRUSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(C)C[NH2+]CCO3)n2)C1 ZINC000638050516 452320683 /nfs/dbraw/zinc/32/06/83/452320683.db2.gz OXQUOOXADFMRJY-MLGOLLRUSA-N 2 2 338.477 1.692 20 0 EDADLP CO[C@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@](C)(CO)C1 ZINC000640000036 452330799 /nfs/dbraw/zinc/33/07/99/452330799.db2.gz BOXKOYTUULZKFL-WOJBJXKFSA-N 2 2 347.503 1.670 20 0 EDADLP CO[C@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@](C)(CO)C1 ZINC000640000036 452330811 /nfs/dbraw/zinc/33/08/11/452330811.db2.gz BOXKOYTUULZKFL-WOJBJXKFSA-N 2 2 347.503 1.670 20 0 EDADLP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000638058882 452349046 /nfs/dbraw/zinc/34/90/46/452349046.db2.gz YAUWBLLGUYROOR-OAHLLOKOSA-N 2 2 349.862 1.911 20 0 EDADLP COC[C@@]1(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCC[NH2+]1 ZINC000638059641 452351948 /nfs/dbraw/zinc/35/19/48/452351948.db2.gz HULKCHCYEPWAHX-MRXNPFEDSA-N 2 2 336.823 1.763 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2)C1 ZINC000657597482 452366078 /nfs/dbraw/zinc/36/60/78/452366078.db2.gz PZSFCCOWFZSOEG-GOSISDBHSA-N 3 2 326.444 1.686 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cc2)C1 ZINC000657597482 452366087 /nfs/dbraw/zinc/36/60/87/452366087.db2.gz PZSFCCOWFZSOEG-GOSISDBHSA-N 3 2 326.444 1.686 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000657596733 452366576 /nfs/dbraw/zinc/36/65/76/452366576.db2.gz JHYLZIHLOKWUHX-NEWSRXKRSA-N 2 2 334.460 1.407 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000657596733 452366584 /nfs/dbraw/zinc/36/65/84/452366584.db2.gz JHYLZIHLOKWUHX-NEWSRXKRSA-N 2 2 334.460 1.407 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@]1(C)CCCO1 ZINC000645400265 452373113 /nfs/dbraw/zinc/37/31/13/452373113.db2.gz NUTXNHRSKROUHV-QFBILLFUSA-N 2 2 346.475 1.668 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@]1(C)CCCO1 ZINC000645400263 452373868 /nfs/dbraw/zinc/37/38/68/452373868.db2.gz NUTXNHRSKROUHV-LPHOPBHVSA-N 2 2 346.475 1.668 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000665808687 452385927 /nfs/dbraw/zinc/38/59/27/452385927.db2.gz FMVSMLKQDWXXTR-IJEWVQPXSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000665808687 452385932 /nfs/dbraw/zinc/38/59/32/452385932.db2.gz FMVSMLKQDWXXTR-IJEWVQPXSA-N 2 2 340.537 1.690 20 0 EDADLP CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000657655057 452424778 /nfs/dbraw/zinc/42/47/78/452424778.db2.gz QSWFXMZUKJFUIM-UHFFFAOYSA-N 2 2 343.431 1.429 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000640101413 452425565 /nfs/dbraw/zinc/42/55/65/452425565.db2.gz DUKKXQUFZWCDBM-IBGZPJMESA-N 2 2 331.508 1.900 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000640101413 452425574 /nfs/dbraw/zinc/42/55/74/452425574.db2.gz DUKKXQUFZWCDBM-IBGZPJMESA-N 2 2 331.508 1.900 20 0 EDADLP CN(C(=O)NCC1([NH3+])CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659571994 452427487 /nfs/dbraw/zinc/42/74/87/452427487.db2.gz CVZMLDIZLYPNAM-INIZCTEOSA-N 3 2 337.512 1.068 20 0 EDADLP CN(C(=O)NCC1([NH3+])CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659571994 452427493 /nfs/dbraw/zinc/42/74/93/452427493.db2.gz CVZMLDIZLYPNAM-INIZCTEOSA-N 3 2 337.512 1.068 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)[NH+]2CCOCC2)c1 ZINC000645484986 452455294 /nfs/dbraw/zinc/45/52/94/452455294.db2.gz ARZNZVWJEKTANS-DLBZAZTESA-N 2 2 331.460 1.483 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc(C(C)(C)C)ns1 ZINC000665969471 452495127 /nfs/dbraw/zinc/49/51/27/452495127.db2.gz QQGMGIWXNPZASX-UHFFFAOYSA-N 2 2 342.513 1.841 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc(C(C)(C)C)ns1 ZINC000665969471 452495131 /nfs/dbraw/zinc/49/51/31/452495131.db2.gz QQGMGIWXNPZASX-UHFFFAOYSA-N 2 2 342.513 1.841 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000659633446 452497117 /nfs/dbraw/zinc/49/71/17/452497117.db2.gz COVVIKKQDWSQQK-JKSUJKDBSA-N 2 2 348.491 1.909 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000659633446 452497136 /nfs/dbraw/zinc/49/71/36/452497136.db2.gz COVVIKKQDWSQQK-JKSUJKDBSA-N 2 2 348.491 1.909 20 0 EDADLP C[NH+]1CCN(C(C)(C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655686290 452508760 /nfs/dbraw/zinc/50/87/60/452508760.db2.gz CBNPUXVWLXBMNP-GOSISDBHSA-N 3 2 338.540 1.245 20 0 EDADLP c1ccc(OCc2nnc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[nH]2)cc1 ZINC000647795483 452526329 /nfs/dbraw/zinc/52/63/29/452526329.db2.gz QKIIGUSSGQEQKZ-QLFBSQMISA-N 2 2 327.432 1.861 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ncn(-c4ccccc4)n3)C2)C1 ZINC000652349134 452527154 /nfs/dbraw/zinc/52/71/54/452527154.db2.gz BWRIJDKYXZYLKF-LZLYRXPVSA-N 2 2 341.459 1.986 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ncn(-c4ccccc4)n3)C2)C1 ZINC000652349134 452527164 /nfs/dbraw/zinc/52/71/64/452527164.db2.gz BWRIJDKYXZYLKF-LZLYRXPVSA-N 2 2 341.459 1.986 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC3(C)CC[NH+](C)CC3)cc2[nH+]1 ZINC000657781922 452528527 /nfs/dbraw/zinc/52/85/27/452528527.db2.gz JYFNBFVNYOYRQQ-UHFFFAOYSA-N 2 2 343.431 1.429 20 0 EDADLP COc1ccc([C@@H](CCO)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655723824 452537875 /nfs/dbraw/zinc/53/78/75/452537875.db2.gz QATRKTNHTJKABU-PKOBYXMFSA-N 2 2 334.460 1.962 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH3+] ZINC000652358608 452538654 /nfs/dbraw/zinc/53/86/54/452538654.db2.gz XCIXANYPMVUIIL-MNLQNLKMSA-N 2 2 335.492 1.367 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H]1C[NH3+] ZINC000652358608 452538664 /nfs/dbraw/zinc/53/86/64/452538664.db2.gz XCIXANYPMVUIIL-MNLQNLKMSA-N 2 2 335.492 1.367 20 0 EDADLP O=C1[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCN1c1ccccc1F ZINC000655729373 452542443 /nfs/dbraw/zinc/54/24/43/452542443.db2.gz FXOGYYOFSRAQOD-WBVHZDCISA-N 2 2 347.434 1.774 20 0 EDADLP COc1ccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647814557 452542827 /nfs/dbraw/zinc/54/28/27/452542827.db2.gz TTWYBDKKJCKAHD-UHFFFAOYSA-N 2 2 333.432 1.859 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647814557 452542839 /nfs/dbraw/zinc/54/28/39/452542839.db2.gz TTWYBDKKJCKAHD-UHFFFAOYSA-N 2 2 333.432 1.859 20 0 EDADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000655734246 452546983 /nfs/dbraw/zinc/54/69/83/452546983.db2.gz CWIXKOIGDJGTLN-MRXNPFEDSA-N 2 2 331.439 1.655 20 0 EDADLP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000655734246 452546995 /nfs/dbraw/zinc/54/69/95/452546995.db2.gz CWIXKOIGDJGTLN-MRXNPFEDSA-N 2 2 331.439 1.655 20 0 EDADLP Cc1cc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)n[nH]1 ZINC000655757767 452561373 /nfs/dbraw/zinc/56/13/73/452561373.db2.gz KYAYXIKRGWLWOC-KRWDZBQOSA-N 2 2 333.480 1.530 20 0 EDADLP COc1c(C)cccc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000655811870 452590651 /nfs/dbraw/zinc/59/06/51/452590651.db2.gz XHJLFPDRWACPHS-UHFFFAOYSA-N 2 2 347.503 1.890 20 0 EDADLP COc1c(C)cccc1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000655811870 452590657 /nfs/dbraw/zinc/59/06/57/452590657.db2.gz XHJLFPDRWACPHS-UHFFFAOYSA-N 2 2 347.503 1.890 20 0 EDADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CCO1 ZINC000647862486 452597596 /nfs/dbraw/zinc/59/75/96/452597596.db2.gz QCDMIHRAMAKKRH-BMGDILEWSA-N 2 2 331.460 1.618 20 0 EDADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CCO1 ZINC000647862486 452597605 /nfs/dbraw/zinc/59/76/05/452597605.db2.gz QCDMIHRAMAKKRH-BMGDILEWSA-N 2 2 331.460 1.618 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000655851864 452608825 /nfs/dbraw/zinc/60/88/25/452608825.db2.gz AEKNTJLBFVLLFF-ZACQAIPSSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000655851864 452608834 /nfs/dbraw/zinc/60/88/34/452608834.db2.gz AEKNTJLBFVLLFF-ZACQAIPSSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000655851864 452608841 /nfs/dbraw/zinc/60/88/41/452608841.db2.gz AEKNTJLBFVLLFF-ZACQAIPSSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000655851864 452608850 /nfs/dbraw/zinc/60/88/50/452608850.db2.gz AEKNTJLBFVLLFF-ZACQAIPSSA-N 2 2 336.480 1.166 20 0 EDADLP O=C1[C@H](N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000647884898 452622430 /nfs/dbraw/zinc/62/24/30/452622430.db2.gz HNZLRPPZAOTTHE-SJLPKXTDSA-N 2 2 328.460 1.019 20 0 EDADLP O=C1[C@H]([NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000647884898 452622440 /nfs/dbraw/zinc/62/24/40/452622440.db2.gz HNZLRPPZAOTTHE-SJLPKXTDSA-N 2 2 328.460 1.019 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583200 452668322 /nfs/dbraw/zinc/66/83/22/452668322.db2.gz KEPAPEKCUPFULE-ZQNQSHIBSA-N 2 2 335.452 1.686 20 0 EDADLP C[C@H](CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654583200 452668324 /nfs/dbraw/zinc/66/83/24/452668324.db2.gz KEPAPEKCUPFULE-ZQNQSHIBSA-N 2 2 335.452 1.686 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000666214065 452690211 /nfs/dbraw/zinc/69/02/11/452690211.db2.gz QIEQCFWGMVMADP-UHFFFAOYSA-N 3 2 345.451 1.272 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000666214065 452690218 /nfs/dbraw/zinc/69/02/18/452690218.db2.gz QIEQCFWGMVMADP-UHFFFAOYSA-N 3 2 345.451 1.272 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957059 452701022 /nfs/dbraw/zinc/70/10/22/452701022.db2.gz KFSCRIQUTZEPTG-IBGZPJMESA-N 2 2 331.460 1.429 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957059 452701037 /nfs/dbraw/zinc/70/10/37/452701037.db2.gz KFSCRIQUTZEPTG-IBGZPJMESA-N 2 2 331.460 1.429 20 0 EDADLP C[C@@H](CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[N@H+](C)C1CC1 ZINC000664000211 452701593 /nfs/dbraw/zinc/70/15/93/452701593.db2.gz XBYIKIDNIOZFOO-GXTWGEPZSA-N 2 2 337.468 1.262 20 0 EDADLP C[C@@H](CNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[N@@H+](C)C1CC1 ZINC000664000211 452701601 /nfs/dbraw/zinc/70/16/01/452701601.db2.gz XBYIKIDNIOZFOO-GXTWGEPZSA-N 2 2 337.468 1.262 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cc(F)ccc1F ZINC000664006218 452705774 /nfs/dbraw/zinc/70/57/74/452705774.db2.gz GXQOROPBVRBIPR-UHFFFAOYSA-N 2 2 328.407 1.648 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cc(F)ccc1F ZINC000664006218 452705781 /nfs/dbraw/zinc/70/57/81/452705781.db2.gz GXQOROPBVRBIPR-UHFFFAOYSA-N 2 2 328.407 1.648 20 0 EDADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000647963357 452708296 /nfs/dbraw/zinc/70/82/96/452708296.db2.gz QQTHEOOIFBVELB-QGZVFWFLSA-N 2 2 337.512 1.068 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000647963357 452708305 /nfs/dbraw/zinc/70/83/05/452708305.db2.gz QQTHEOOIFBVELB-QGZVFWFLSA-N 2 2 337.512 1.068 20 0 EDADLP CC[C@@H](C(=O)NCCC[NH+](C)CC(C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000652523170 452723607 /nfs/dbraw/zinc/72/36/07/452723607.db2.gz IBKRUZRCGBAEQK-IRXDYDNUSA-N 2 2 327.513 1.970 20 0 EDADLP CC[C@@H](C(=O)NCCC[NH+](C)CC(C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000652523170 452723615 /nfs/dbraw/zinc/72/36/15/452723615.db2.gz IBKRUZRCGBAEQK-IRXDYDNUSA-N 2 2 327.513 1.970 20 0 EDADLP CC[C@@H](C(=O)NCCC[N@H+](C)CC(C)C)[NH+]1CCO[C@@H](CC)C1 ZINC000652523170 452723621 /nfs/dbraw/zinc/72/36/21/452723621.db2.gz IBKRUZRCGBAEQK-IRXDYDNUSA-N 2 2 327.513 1.970 20 0 EDADLP CC[C@@H](C(=O)NCCC[N@@H+](C)CC(C)C)[NH+]1CCO[C@@H](CC)C1 ZINC000652523170 452723630 /nfs/dbraw/zinc/72/36/30/452723630.db2.gz IBKRUZRCGBAEQK-IRXDYDNUSA-N 2 2 327.513 1.970 20 0 EDADLP Cc1cccc2nc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn21 ZINC000664062575 452753920 /nfs/dbraw/zinc/75/39/20/452753920.db2.gz PFJZECTYEOARIW-UHFFFAOYSA-N 2 2 346.479 1.325 20 0 EDADLP Cc1cccc2nc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn21 ZINC000664062575 452753927 /nfs/dbraw/zinc/75/39/27/452753927.db2.gz PFJZECTYEOARIW-UHFFFAOYSA-N 2 2 346.479 1.325 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664209316 452882198 /nfs/dbraw/zinc/88/21/98/452882198.db2.gz DDMWSQZHYNYEQC-HUUCEWRRSA-N 2 2 337.468 1.380 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664209316 452882203 /nfs/dbraw/zinc/88/22/03/452882203.db2.gz DDMWSQZHYNYEQC-HUUCEWRRSA-N 2 2 337.468 1.380 20 0 EDADLP Cc1ccc2nc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc(=O)n2c1 ZINC000662154204 452890668 /nfs/dbraw/zinc/89/06/68/452890668.db2.gz FKPLMNWMCXXKDC-KRWDZBQOSA-N 2 2 342.443 1.034 20 0 EDADLP Cc1ccc2nc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)cc(=O)n2c1 ZINC000662154204 452890675 /nfs/dbraw/zinc/89/06/75/452890675.db2.gz FKPLMNWMCXXKDC-KRWDZBQOSA-N 2 2 342.443 1.034 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccc(CNc3nc[nH+]c4c3OCCN4)cc2)C1 ZINC000664236712 452913563 /nfs/dbraw/zinc/91/35/63/452913563.db2.gz MMAZKPZOWHVCBC-OAHLLOKOSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccc(CNc3nc[nH+]c4c3OCCN4)cc2)C1 ZINC000664236712 452913573 /nfs/dbraw/zinc/91/35/73/452913573.db2.gz MMAZKPZOWHVCBC-OAHLLOKOSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2ccc(CNc3[nH+]cnc4c3OCCN4)cc2)C1 ZINC000664236712 452913583 /nfs/dbraw/zinc/91/35/83/452913583.db2.gz MMAZKPZOWHVCBC-OAHLLOKOSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2ccc(CNc3[nH+]cnc4c3OCCN4)cc2)C1 ZINC000664236712 452913588 /nfs/dbraw/zinc/91/35/88/452913588.db2.gz MMAZKPZOWHVCBC-OAHLLOKOSA-N 2 2 341.415 1.460 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000660040677 452949964 /nfs/dbraw/zinc/94/99/64/452949964.db2.gz AQFVTPFFFOQMAF-SFHVURJKSA-N 2 2 339.524 1.848 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000660040677 452949970 /nfs/dbraw/zinc/94/99/70/452949970.db2.gz AQFVTPFFFOQMAF-SFHVURJKSA-N 2 2 339.524 1.848 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652813184 452971636 /nfs/dbraw/zinc/97/16/36/452971636.db2.gz ZGADPWKTFTXQKV-ZWKOTPCHSA-N 2 2 340.427 1.385 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652813184 452971648 /nfs/dbraw/zinc/97/16/48/452971648.db2.gz ZGADPWKTFTXQKV-ZWKOTPCHSA-N 2 2 340.427 1.385 20 0 EDADLP C[C@H](c1nc2ccccc2s1)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662263111 452993882 /nfs/dbraw/zinc/99/38/82/452993882.db2.gz KUEPZYNKDIFOCA-HUUCEWRRSA-N 2 2 346.500 1.963 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648310799 452993965 /nfs/dbraw/zinc/99/39/65/452993965.db2.gz MNVSKBSHBYRSID-MGPQQGTHSA-N 2 2 333.398 1.812 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1C(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648310799 452993971 /nfs/dbraw/zinc/99/39/71/452993971.db2.gz MNVSKBSHBYRSID-MGPQQGTHSA-N 2 2 333.398 1.812 20 0 EDADLP CN(c1nc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cs1)C1CC1 ZINC000662273843 453002033 /nfs/dbraw/zinc/00/20/33/453002033.db2.gz QEVNVMYVJSZIRX-ZDUSSCGKSA-N 2 2 336.505 1.929 20 0 EDADLP CN(c1nc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cs1)C1CC1 ZINC000662273843 453002044 /nfs/dbraw/zinc/00/20/44/453002044.db2.gz QEVNVMYVJSZIRX-ZDUSSCGKSA-N 2 2 336.505 1.929 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000662296254 453018677 /nfs/dbraw/zinc/01/86/77/453018677.db2.gz AQXVXVLVCBPHAC-ZDUSSCGKSA-N 2 2 337.464 1.720 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+])cc1OC ZINC000662296254 453018684 /nfs/dbraw/zinc/01/86/84/453018684.db2.gz AQXVXVLVCBPHAC-ZDUSSCGKSA-N 2 2 337.464 1.720 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NCCNc1ccc2ccccc2[nH+]1 ZINC000646034003 453033850 /nfs/dbraw/zinc/03/38/50/453033850.db2.gz XNYGBHYSLLGOSH-CQSZACIVSA-N 2 2 330.457 1.858 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](Cc2ccccc2)C1 ZINC000652882422 453039328 /nfs/dbraw/zinc/03/93/28/453039328.db2.gz SRBOYRXKGDAOLY-MJGOQNOKSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](Cc2ccccc2)C1 ZINC000652882422 453039336 /nfs/dbraw/zinc/03/93/36/453039336.db2.gz SRBOYRXKGDAOLY-MJGOQNOKSA-N 2 2 338.455 1.831 20 0 EDADLP CC[C@H]1C[N@H+](C)CCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000646050508 453055911 /nfs/dbraw/zinc/05/59/11/453055911.db2.gz WTQUYSYTRRTRFE-KRWDZBQOSA-N 2 2 347.507 1.575 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000646050508 453055927 /nfs/dbraw/zinc/05/59/27/453055927.db2.gz WTQUYSYTRRTRFE-KRWDZBQOSA-N 2 2 347.507 1.575 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000650877590 453077082 /nfs/dbraw/zinc/07/70/82/453077082.db2.gz ZWLUDFUMMYLSJL-HLLBOEOZSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)CO1 ZINC000650877590 453077088 /nfs/dbraw/zinc/07/70/88/453077088.db2.gz ZWLUDFUMMYLSJL-HLLBOEOZSA-N 2 2 338.496 1.364 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC3(CO)CCC3)C2)CC1 ZINC000650877061 453077649 /nfs/dbraw/zinc/07/76/49/453077649.db2.gz MUDZOAXCNNVOPN-HNNXBMFYSA-N 2 2 338.496 1.007 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC3(CO)CCC3)C2)CC1 ZINC000650877061 453077655 /nfs/dbraw/zinc/07/76/55/453077655.db2.gz MUDZOAXCNNVOPN-HNNXBMFYSA-N 2 2 338.496 1.007 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662392167 453102368 /nfs/dbraw/zinc/10/23/68/453102368.db2.gz PNIRYMDYXHSMER-HNNXBMFYSA-N 2 2 342.365 1.840 20 0 EDADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104483 453105555 /nfs/dbraw/zinc/10/55/55/453105555.db2.gz FRDQFVFGOGQGRF-SJORKVTESA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104483 453105557 /nfs/dbraw/zinc/10/55/57/453105557.db2.gz FRDQFVFGOGQGRF-SJORKVTESA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104278 453107186 /nfs/dbraw/zinc/10/71/86/453107186.db2.gz GZWKZZRUPSGQTE-OAHLLOKOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104278 453107190 /nfs/dbraw/zinc/10/71/90/453107190.db2.gz GZWKZZRUPSGQTE-OAHLLOKOSA-N 2 2 349.450 1.627 20 0 EDADLP Cc1csc2nc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cc(=O)n12 ZINC000646104340 453107394 /nfs/dbraw/zinc/10/73/94/453107394.db2.gz AHHGCBJKUCNWKQ-UHFFFAOYSA-N 2 2 348.472 1.361 20 0 EDADLP Cc1csc2nc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)cc(=O)n12 ZINC000646104340 453107399 /nfs/dbraw/zinc/10/73/99/453107399.db2.gz AHHGCBJKUCNWKQ-UHFFFAOYSA-N 2 2 348.472 1.361 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)C1CC[NH+]([C@@H]3CCSC3)CC1)CC2 ZINC000654993663 453110511 /nfs/dbraw/zinc/11/05/11/453110511.db2.gz YJNFYMBIHSHEQY-OAHLLOKOSA-N 2 2 334.489 1.751 20 0 EDADLP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000646116397 453128217 /nfs/dbraw/zinc/12/82/17/453128217.db2.gz KWUREOMGEDUHHT-MJGOQNOKSA-N 2 2 343.471 1.587 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)[C@@H](C[NH3+])C1 ZINC000666778821 453141901 /nfs/dbraw/zinc/14/19/01/453141901.db2.gz FXAPYOJEEOWKPU-DOTOQJQBSA-N 2 2 348.447 1.351 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2nnc3n2CCCCC3)CC1 ZINC000660259300 453158957 /nfs/dbraw/zinc/15/89/57/453158957.db2.gz HJCQCYIEPSYSMX-CQSZACIVSA-N 2 2 348.495 1.256 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)c3cnnn3C3CC[NH2+]CC3)cn21 ZINC000662453902 453161171 /nfs/dbraw/zinc/16/11/71/453161171.db2.gz YNTVQIFBZYVYAM-UHFFFAOYSA-N 2 2 339.403 1.089 20 0 EDADLP CCc1cc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000664535012 453174167 /nfs/dbraw/zinc/17/41/67/453174167.db2.gz NIYASROPNOWYMI-FQEVSTJZSA-N 2 2 341.455 1.741 20 0 EDADLP CCc1cc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000664535012 453174175 /nfs/dbraw/zinc/17/41/75/453174175.db2.gz NIYASROPNOWYMI-FQEVSTJZSA-N 2 2 341.455 1.741 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000651012188 453186614 /nfs/dbraw/zinc/18/66/14/453186614.db2.gz KITBVHWVCGQAMF-INIZCTEOSA-N 2 2 332.448 1.085 20 0 EDADLP CO[C@@H](C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)Cc1ccccc1 ZINC000648653795 453187454 /nfs/dbraw/zinc/18/74/54/453187454.db2.gz JRWZAQJCLRUIPY-GOSISDBHSA-N 2 2 333.476 1.386 20 0 EDADLP C[N@H+](CCO[C@@H]1CC1(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334827 453222732 /nfs/dbraw/zinc/22/27/32/453222732.db2.gz SHERJGJHLWTHGV-SJORKVTESA-N 2 2 340.414 1.979 20 0 EDADLP C[N@@H+](CCO[C@@H]1CC1(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334827 453222737 /nfs/dbraw/zinc/22/27/37/453222737.db2.gz SHERJGJHLWTHGV-SJORKVTESA-N 2 2 340.414 1.979 20 0 EDADLP C[NH+](CCO[C@@H]1CC1(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334827 453222744 /nfs/dbraw/zinc/22/27/44/453222744.db2.gz SHERJGJHLWTHGV-SJORKVTESA-N 2 2 340.414 1.979 20 0 EDADLP C[NH+](CCO[C@@H]1CC1(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334827 453222751 /nfs/dbraw/zinc/22/27/51/453222751.db2.gz SHERJGJHLWTHGV-SJORKVTESA-N 2 2 340.414 1.979 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000653064478 453241253 /nfs/dbraw/zinc/24/12/53/453241253.db2.gz WEKLLZUEOJEMMX-SNVBAGLBSA-N 2 2 337.317 1.984 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000666920354 453242013 /nfs/dbraw/zinc/24/20/13/453242013.db2.gz SXNLUVAMLVAJMD-QGZVFWFLSA-N 2 2 338.496 1.225 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000666920354 453242021 /nfs/dbraw/zinc/24/20/21/453242021.db2.gz SXNLUVAMLVAJMD-QGZVFWFLSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1[nH+]ccn1C ZINC000660360176 453244798 /nfs/dbraw/zinc/24/47/98/453244798.db2.gz VJXVXBTXBOIYCM-CQSZACIVSA-N 2 2 342.447 1.840 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC[C@H](CC[NH3+])C3)cn21 ZINC000646234996 453247253 /nfs/dbraw/zinc/24/72/53/453247253.db2.gz YBAJPDRQAJIVCE-OAHLLOKOSA-N 2 2 329.448 1.956 20 0 EDADLP CCCOc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653069663 453247828 /nfs/dbraw/zinc/24/78/28/453247828.db2.gz WLMFHUXJQZBQIQ-DZGCQCFKSA-N 2 2 337.464 1.940 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000648773865 453251399 /nfs/dbraw/zinc/25/13/99/453251399.db2.gz BOOLNKRPZKHJSA-BZUAXINKSA-N 2 2 334.464 1.454 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CCc4[nH]c[nH+]c4C3)cc2)CC1 ZINC000646258340 453259731 /nfs/dbraw/zinc/25/97/31/453259731.db2.gz QXWPDFMEJSGYDP-UHFFFAOYSA-N 2 2 339.443 1.750 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N3CCc4[nH+]c[nH]c4C3)cc2)CC1 ZINC000646258340 453259739 /nfs/dbraw/zinc/25/97/39/453259739.db2.gz QXWPDFMEJSGYDP-UHFFFAOYSA-N 2 2 339.443 1.750 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000653088613 453270711 /nfs/dbraw/zinc/27/07/11/453270711.db2.gz DXXCUYJCRHGQGR-SFHVURJKSA-N 2 2 349.475 1.277 20 0 EDADLP Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653093859 453276362 /nfs/dbraw/zinc/27/63/62/453276362.db2.gz OPTAOZKTQHHCMP-SQNIBIBYSA-N 2 2 333.476 1.858 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000653099091 453281318 /nfs/dbraw/zinc/28/13/18/453281318.db2.gz DOHMBINFNHDVKJ-OAHLLOKOSA-N 2 2 328.416 1.114 20 0 EDADLP Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c(OCC(F)(F)F)c1 ZINC000653099541 453281485 /nfs/dbraw/zinc/28/14/85/453281485.db2.gz TUZKEIKWCXPEEV-CYBMUJFWSA-N 2 2 347.381 1.831 20 0 EDADLP CCOc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1OC(F)F ZINC000653102159 453284918 /nfs/dbraw/zinc/28/49/18/453284918.db2.gz PLSYTFFHHQKXKB-GFCCVEGCSA-N 2 2 345.390 1.582 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]2CCCC2)c1 ZINC000653105939 453287853 /nfs/dbraw/zinc/28/78/53/453287853.db2.gz NUAHXPUQEAFGLC-ROUUACIJSA-N 3 2 348.491 1.227 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]2CCCC2)c1 ZINC000653105940 453288248 /nfs/dbraw/zinc/28/82/48/453288248.db2.gz NUAHXPUQEAFGLC-ZWKOTPCHSA-N 3 2 348.491 1.227 20 0 EDADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653108641 453291642 /nfs/dbraw/zinc/29/16/42/453291642.db2.gz CJLKBDLKIGYNAE-LPHOPBHVSA-N 3 2 346.519 1.956 20 0 EDADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653108641 453291647 /nfs/dbraw/zinc/29/16/47/453291647.db2.gz CJLKBDLKIGYNAE-LPHOPBHVSA-N 3 2 346.519 1.956 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H](N)CC[NH+](C)C)C[C@@H](C)O1 ZINC000653110539 453296032 /nfs/dbraw/zinc/29/60/32/453296032.db2.gz LSBOGMLMLNLXJA-INMHGKMJSA-N 2 2 348.491 1.513 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H](C)O1 ZINC000653110539 453296035 /nfs/dbraw/zinc/29/60/35/453296035.db2.gz LSBOGMLMLNLXJA-INMHGKMJSA-N 3 2 348.491 1.513 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)c1 ZINC000653117648 453304855 /nfs/dbraw/zinc/30/48/55/453304855.db2.gz SCNICYFZCDQRTM-QAPCUYQASA-N 2 2 348.491 1.179 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000653117648 453304865 /nfs/dbraw/zinc/30/48/65/453304865.db2.gz SCNICYFZCDQRTM-QAPCUYQASA-N 3 2 348.491 1.179 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000653118093 453307227 /nfs/dbraw/zinc/30/72/27/453307227.db2.gz BRJUTRXTKCBSOB-UKRRQHHQSA-N 2 2 338.883 1.704 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000648845018 453324853 /nfs/dbraw/zinc/32/48/53/453324853.db2.gz LKGUOQPHDRYBCD-DOTOQJQBSA-N 2 2 325.497 1.676 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000648845018 453324863 /nfs/dbraw/zinc/32/48/63/453324863.db2.gz LKGUOQPHDRYBCD-DOTOQJQBSA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000660482207 453338620 /nfs/dbraw/zinc/33/86/20/453338620.db2.gz BYVPVJLCYIYCDN-OAHLLOKOSA-N 2 2 336.484 1.015 20 0 EDADLP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000660482207 453338629 /nfs/dbraw/zinc/33/86/29/453338629.db2.gz BYVPVJLCYIYCDN-OAHLLOKOSA-N 2 2 336.484 1.015 20 0 EDADLP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000653154747 453344905 /nfs/dbraw/zinc/34/49/05/453344905.db2.gz ZYPHPNGAAWMJAA-HRCADAONSA-N 2 2 340.418 1.105 20 0 EDADLP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000653154747 453344915 /nfs/dbraw/zinc/34/49/15/453344915.db2.gz ZYPHPNGAAWMJAA-HRCADAONSA-N 2 2 340.418 1.105 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000653154747 453344921 /nfs/dbraw/zinc/34/49/21/453344921.db2.gz ZYPHPNGAAWMJAA-HRCADAONSA-N 3 2 340.418 1.105 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000653154747 453344928 /nfs/dbraw/zinc/34/49/28/453344928.db2.gz ZYPHPNGAAWMJAA-HRCADAONSA-N 3 2 340.418 1.105 20 0 EDADLP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC000653163954 453357274 /nfs/dbraw/zinc/35/72/74/453357274.db2.gz BETLRLBOJQJMHW-RDJZCZTQSA-N 2 2 346.475 1.507 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000651208616 453363467 /nfs/dbraw/zinc/36/34/67/453363467.db2.gz JSXYJQJDGNHQRE-HNNXBMFYSA-N 2 2 341.459 1.512 20 0 EDADLP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662664759 453378228 /nfs/dbraw/zinc/37/82/28/453378228.db2.gz GPTYAKQXRDAMJP-AWEZNQCLSA-N 2 2 335.473 1.331 20 0 EDADLP CCN1CC[C@H]([N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000660539733 453384808 /nfs/dbraw/zinc/38/48/08/453384808.db2.gz WMCFPESBJXMGEK-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CCN1CC[C@H]([N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000660539733 453384812 /nfs/dbraw/zinc/38/48/12/453384812.db2.gz WMCFPESBJXMGEK-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)C1([NH2+]C2CC2)CCC1 ZINC000662675687 453394671 /nfs/dbraw/zinc/39/46/71/453394671.db2.gz PTPZICXGYTWLIO-UHFFFAOYSA-N 2 2 330.432 1.209 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000653215219 453406232 /nfs/dbraw/zinc/40/62/32/453406232.db2.gz PESPOGYDXBDOAN-UHFFFAOYSA-N 2 2 325.403 1.999 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cn2cc[nH+]c12 ZINC000667145931 453435743 /nfs/dbraw/zinc/43/57/43/453435743.db2.gz BPCYCZDRDYJSHP-HNNXBMFYSA-N 2 2 329.404 1.581 20 0 EDADLP C[C@H](c1cccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1)[NH+]1CCOCC1 ZINC000662721098 453445874 /nfs/dbraw/zinc/44/58/74/453445874.db2.gz QDQLBJVSGBYLJI-XYPHTWIQSA-N 2 2 333.432 1.382 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662735655 453460696 /nfs/dbraw/zinc/46/06/96/453460696.db2.gz OMQJYVMHTWVSNA-CYBMUJFWSA-N 2 2 325.376 1.493 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000662743332 453471140 /nfs/dbraw/zinc/47/11/40/453471140.db2.gz XXOAYYQBXMCSLF-QGZVFWFLSA-N 2 2 330.476 1.048 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000662743332 453471148 /nfs/dbraw/zinc/47/11/48/453471148.db2.gz XXOAYYQBXMCSLF-QGZVFWFLSA-N 2 2 330.476 1.048 20 0 EDADLP Cc1ccc2nc(C[NH+]3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc(=O)n2c1 ZINC000660658070 453493240 /nfs/dbraw/zinc/49/32/40/453493240.db2.gz WCZUEGUFTQNKBO-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP Cc1ccc2nc(C[NH+]3CCC[C@@]4(CC[N@H+](C)C4)C3)cc(=O)n2c1 ZINC000660658070 453493247 /nfs/dbraw/zinc/49/32/47/453493247.db2.gz WCZUEGUFTQNKBO-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP Cc1ccc2nc(C[N@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc(=O)n2c1 ZINC000660658070 453493257 /nfs/dbraw/zinc/49/32/57/453493257.db2.gz WCZUEGUFTQNKBO-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3CCC[C@@]4(CC[NH+](C)C4)C3)cc(=O)n2c1 ZINC000660658070 453493265 /nfs/dbraw/zinc/49/32/65/453493265.db2.gz WCZUEGUFTQNKBO-IBGZPJMESA-N 2 2 326.444 1.921 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664951902 453513178 /nfs/dbraw/zinc/51/31/78/453513178.db2.gz GIKYTJMGPRNOMA-HNNXBMFYSA-N 2 2 336.436 1.342 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCNc1ccc3ccccc3[nH+]1)CC2 ZINC000651378837 453519460 /nfs/dbraw/zinc/51/94/60/453519460.db2.gz GFSDGTFDVIOTLW-INIZCTEOSA-N 2 2 349.438 1.952 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000655443449 453530554 /nfs/dbraw/zinc/53/05/54/453530554.db2.gz MOPRLMPBEGYCOR-UHFFFAOYSA-N 2 2 345.403 1.030 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832542 453558609 /nfs/dbraw/zinc/55/86/09/453558609.db2.gz ILWXNGRYJLEINI-MAUKXSAKSA-N 2 2 347.459 1.408 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000659010603 453579249 /nfs/dbraw/zinc/57/92/49/453579249.db2.gz RQVJUOXWMUHILI-AWEZNQCLSA-N 2 2 347.463 1.080 20 0 EDADLP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659020260 453583687 /nfs/dbraw/zinc/58/36/87/453583687.db2.gz YZBBIJPDYHHHPV-INIZCTEOSA-N 2 2 332.448 1.735 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660827022 453590273 /nfs/dbraw/zinc/59/02/73/453590273.db2.gz GDWQNPYGPZWBRC-JKSUJKDBSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233387 453618011 /nfs/dbraw/zinc/61/80/11/453618011.db2.gz GOCFPXOQLIZWCU-RDJZCZTQSA-N 3 2 325.497 1.234 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000665248128 453623411 /nfs/dbraw/zinc/62/34/11/453623411.db2.gz PQNALRGOHAHRAJ-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000665248128 453623414 /nfs/dbraw/zinc/62/34/14/453623414.db2.gz PQNALRGOHAHRAJ-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000665283985 453635938 /nfs/dbraw/zinc/63/59/38/453635938.db2.gz YKACDDZKLKIIRC-RTBURBONSA-N 3 2 334.508 1.146 20 0 EDADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000665283985 453635941 /nfs/dbraw/zinc/63/59/41/453635941.db2.gz YKACDDZKLKIIRC-RTBURBONSA-N 3 2 334.508 1.146 20 0 EDADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC000665291155 453637710 /nfs/dbraw/zinc/63/77/10/453637710.db2.gz VPKKEIZHCNGMRL-BBRMVZONSA-N 3 2 333.480 1.774 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000665291404 453638221 /nfs/dbraw/zinc/63/82/21/453638221.db2.gz BFCABIXRXWIGPF-GOEBONIOSA-N 3 2 341.459 1.784 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000665291404 453638224 /nfs/dbraw/zinc/63/82/24/453638224.db2.gz BFCABIXRXWIGPF-GOEBONIOSA-N 3 2 341.459 1.784 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661071577 453702248 /nfs/dbraw/zinc/70/22/48/453702248.db2.gz MDCRUXOQPNDVSM-IAGOWNOFSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661071577 453702250 /nfs/dbraw/zinc/70/22/50/453702250.db2.gz MDCRUXOQPNDVSM-IAGOWNOFSA-N 2 2 336.480 1.119 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000659291763 453704730 /nfs/dbraw/zinc/70/47/30/453704730.db2.gz MOOPWYWACWKSPT-WMZOPIPTSA-N 2 2 348.491 1.066 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[NH2+]C(C)C)c2)CC1 ZINC000659316984 453713936 /nfs/dbraw/zinc/71/39/36/453713936.db2.gz UOJACWWJRUXUQE-UHFFFAOYSA-N 2 2 332.448 1.287 20 0 EDADLP CC(C)CN1CCO[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657292412 453758490 /nfs/dbraw/zinc/75/84/90/453758490.db2.gz KBWAFJKSVXMTEM-GOSISDBHSA-N 2 2 329.448 1.714 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657292412 453758492 /nfs/dbraw/zinc/75/84/92/453758492.db2.gz KBWAFJKSVXMTEM-GOSISDBHSA-N 2 2 329.448 1.714 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657292412 453758494 /nfs/dbraw/zinc/75/84/94/453758494.db2.gz KBWAFJKSVXMTEM-GOSISDBHSA-N 2 2 329.448 1.714 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661209392 453760222 /nfs/dbraw/zinc/76/02/22/453760222.db2.gz HKRVHANWEUHXIV-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661209392 453760223 /nfs/dbraw/zinc/76/02/23/453760223.db2.gz HKRVHANWEUHXIV-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(F)c1 ZINC000663303235 453762543 /nfs/dbraw/zinc/76/25/43/453762543.db2.gz COFLGFKXSBVPGJ-DYVFJYSZSA-N 2 2 335.423 1.996 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N(C)Cc1ccccc1 ZINC000663303728 453762922 /nfs/dbraw/zinc/76/29/22/453762922.db2.gz JUXNZPOFISWPQW-APWZRJJASA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H]1CN(c2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cn2)CCO1 ZINC000657311488 453763672 /nfs/dbraw/zinc/76/36/72/453763672.db2.gz LFHRFELUWFLLAX-CQSZACIVSA-N 2 2 327.432 1.739 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657358203 453773863 /nfs/dbraw/zinc/77/38/63/453773863.db2.gz IARXVHZPXCSCCN-UHFFFAOYSA-N 2 2 347.507 1.720 20 0 EDADLP c1c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)nnn1Cc1cccnc1 ZINC000663345922 453775634 /nfs/dbraw/zinc/77/56/34/453775634.db2.gz OUDJCHOHVOFMGO-QGZVFWFLSA-N 2 2 340.475 1.933 20 0 EDADLP c1c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)nnn1Cc1cccnc1 ZINC000663345922 453775636 /nfs/dbraw/zinc/77/56/36/453775636.db2.gz OUDJCHOHVOFMGO-QGZVFWFLSA-N 2 2 340.475 1.933 20 0 EDADLP O[C@@]1(C[NH2+]Cc2cnc3n2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000657372722 453777071 /nfs/dbraw/zinc/77/70/71/453777071.db2.gz IQRKCXWJPOCUER-LJQANCHMSA-N 2 2 326.444 1.556 20 0 EDADLP O[C@@]1(C[NH2+]Cc2cnc3n2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000657372722 453777076 /nfs/dbraw/zinc/77/70/76/453777076.db2.gz IQRKCXWJPOCUER-LJQANCHMSA-N 2 2 326.444 1.556 20 0 EDADLP O[C@@]1(CNCc2c[nH+]c3n2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000657372722 453777081 /nfs/dbraw/zinc/77/70/81/453777081.db2.gz IQRKCXWJPOCUER-LJQANCHMSA-N 2 2 326.444 1.556 20 0 EDADLP O[C@@]1(CNCc2c[nH+]c3n2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000657372722 453777086 /nfs/dbraw/zinc/77/70/86/453777086.db2.gz IQRKCXWJPOCUER-LJQANCHMSA-N 2 2 326.444 1.556 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661274570 453780196 /nfs/dbraw/zinc/78/01/96/453780196.db2.gz BXKRBMOFWLKPQK-DZGCQCFKSA-N 2 2 335.452 1.517 20 0 EDADLP CCOCC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663373055 453783189 /nfs/dbraw/zinc/78/31/89/453783189.db2.gz XHTAGHSAHJUKQY-MOPGFXCFSA-N 2 2 335.492 1.180 20 0 EDADLP CCOCC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663373055 453783190 /nfs/dbraw/zinc/78/31/90/453783190.db2.gz XHTAGHSAHJUKQY-MOPGFXCFSA-N 2 2 335.492 1.180 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)n1C ZINC000657420201 453784225 /nfs/dbraw/zinc/78/42/25/453784225.db2.gz BIVDZNONHGZGKU-LBPRGKRZSA-N 2 2 330.396 1.774 20 0 EDADLP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000663502802 453811266 /nfs/dbraw/zinc/81/12/66/453811266.db2.gz BLUOULNSXVEHEK-UHFFFAOYSA-N 3 2 343.475 1.723 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672204863 486663176 /nfs/dbraw/zinc/66/31/76/486663176.db2.gz HEIWSSIVANAFBC-HZPDHXFCSA-N 2 2 347.463 1.037 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000672204863 486663179 /nfs/dbraw/zinc/66/31/79/486663179.db2.gz HEIWSSIVANAFBC-HZPDHXFCSA-N 2 2 347.463 1.037 20 0 EDADLP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C1CCCC1 ZINC000672330637 486695340 /nfs/dbraw/zinc/69/53/40/486695340.db2.gz OSNZQTHOERTEIY-INIZCTEOSA-N 2 2 347.463 1.037 20 0 EDADLP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C1CCCC1 ZINC000672330637 486695343 /nfs/dbraw/zinc/69/53/43/486695343.db2.gz OSNZQTHOERTEIY-INIZCTEOSA-N 2 2 347.463 1.037 20 0 EDADLP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](C[C@@H]([NH3+])CC(C)C)C2)no1 ZINC000414752776 486730313 /nfs/dbraw/zinc/73/03/13/486730313.db2.gz LGLDMNPRRZJAIO-LSDHHAIUSA-N 2 2 337.468 1.428 20 0 EDADLP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2)no1 ZINC000414752776 486730318 /nfs/dbraw/zinc/73/03/18/486730318.db2.gz LGLDMNPRRZJAIO-LSDHHAIUSA-N 2 2 337.468 1.428 20 0 EDADLP C[NH+](CCC[N@@H+](C)CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccco1 ZINC000671739567 486737684 /nfs/dbraw/zinc/73/76/84/486737684.db2.gz BSKNKNNIQSOIFC-GOSISDBHSA-N 2 2 349.475 1.671 20 0 EDADLP C[NH+](CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccco1 ZINC000671739567 486737687 /nfs/dbraw/zinc/73/76/87/486737687.db2.gz BSKNKNNIQSOIFC-GOSISDBHSA-N 2 2 349.475 1.671 20 0 EDADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000671739567 486737690 /nfs/dbraw/zinc/73/76/90/486737690.db2.gz BSKNKNNIQSOIFC-GOSISDBHSA-N 2 2 349.475 1.671 20 0 EDADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000671739567 486737694 /nfs/dbraw/zinc/73/76/94/486737694.db2.gz BSKNKNNIQSOIFC-GOSISDBHSA-N 2 2 349.475 1.671 20 0 EDADLP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676347565 486743876 /nfs/dbraw/zinc/74/38/76/486743876.db2.gz MEMPADOIMPCEOD-KDOFPFPSSA-N 2 2 340.427 1.696 20 0 EDADLP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676347565 486743880 /nfs/dbraw/zinc/74/38/80/486743880.db2.gz MEMPADOIMPCEOD-KDOFPFPSSA-N 2 2 340.427 1.696 20 0 EDADLP C[NH+]1CCN(c2ncc(CNc3[nH]c4ccc(F)cc4[nH+]3)cn2)CC1 ZINC000683752120 486809039 /nfs/dbraw/zinc/80/90/39/486809039.db2.gz XUGXLVYJMYXVNR-UHFFFAOYSA-N 2 2 341.394 1.856 20 0 EDADLP C[NH+]1CCN(c2ncc(CNc3[nH]c4cc(F)ccc4[nH+]3)cn2)CC1 ZINC000683752120 486809040 /nfs/dbraw/zinc/80/90/40/486809040.db2.gz XUGXLVYJMYXVNR-UHFFFAOYSA-N 2 2 341.394 1.856 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683832018 486830972 /nfs/dbraw/zinc/83/09/72/486830972.db2.gz IVSLVJBNYUFLIN-LJQANCHMSA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683832018 486830974 /nfs/dbraw/zinc/83/09/74/486830974.db2.gz IVSLVJBNYUFLIN-LJQANCHMSA-N 2 2 338.455 1.973 20 0 EDADLP C[NH+]1CCC(n2ccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)n2)CC1 ZINC000683889968 486853967 /nfs/dbraw/zinc/85/39/67/486853967.db2.gz WXMWMGZPHJYLKO-CYBMUJFWSA-N 2 2 328.420 1.547 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC000683908532 486861788 /nfs/dbraw/zinc/86/17/88/486861788.db2.gz TUJUKBUFBADVDK-SFHVURJKSA-N 2 2 343.471 1.442 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)C[C@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC000683908532 486861793 /nfs/dbraw/zinc/86/17/93/486861793.db2.gz TUJUKBUFBADVDK-SFHVURJKSA-N 2 2 343.471 1.442 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc4n3CCCC4)C2)CC1 ZINC000676816431 486888847 /nfs/dbraw/zinc/88/88/47/486888847.db2.gz VJUHLJHGEORQTF-AWEZNQCLSA-N 2 2 331.464 1.118 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc4n3CCCC4)C2)CC1 ZINC000676816431 486888850 /nfs/dbraw/zinc/88/88/50/486888850.db2.gz VJUHLJHGEORQTF-AWEZNQCLSA-N 2 2 331.464 1.118 20 0 EDADLP Cc1ccn([C@@H](C)CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000667641162 486894133 /nfs/dbraw/zinc/89/41/33/486894133.db2.gz JTUMRKKCIMSHIB-INIZCTEOSA-N 2 2 347.507 1.817 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccnn2CC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000667683513 486912817 /nfs/dbraw/zinc/91/28/17/486912817.db2.gz SCOHMAAFZFYQHG-VQIMIIECSA-N 2 2 331.508 1.751 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccnn2CC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000667683513 486912819 /nfs/dbraw/zinc/91/28/19/486912819.db2.gz SCOHMAAFZFYQHG-VQIMIIECSA-N 2 2 331.508 1.751 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000677054193 486965859 /nfs/dbraw/zinc/96/58/59/486965859.db2.gz QXHXVIAMWHOWEW-GOEBONIOSA-N 2 2 331.464 1.690 20 0 EDADLP CN(C(=O)NCc1ncccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217291 486977491 /nfs/dbraw/zinc/97/74/91/486977491.db2.gz PRKSIBPZNBQWGZ-HNNXBMFYSA-N 2 2 349.454 1.531 20 0 EDADLP CN(C(=O)NCc1ncccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217291 486977496 /nfs/dbraw/zinc/97/74/96/486977496.db2.gz PRKSIBPZNBQWGZ-HNNXBMFYSA-N 2 2 349.454 1.531 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@@H]1C ZINC000677216229 487011169 /nfs/dbraw/zinc/01/11/69/487011169.db2.gz DKRYLEGOOVPCED-LPHOPBHVSA-N 2 2 345.487 1.737 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C[C@@H]1C ZINC000677216229 487011173 /nfs/dbraw/zinc/01/11/73/487011173.db2.gz DKRYLEGOOVPCED-LPHOPBHVSA-N 2 2 345.487 1.737 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000684379283 487042824 /nfs/dbraw/zinc/04/28/24/487042824.db2.gz YEZXLQSXAFRSSY-IBGZPJMESA-N 2 2 332.492 1.319 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c[nH+]1 ZINC000684379283 487042830 /nfs/dbraw/zinc/04/28/30/487042830.db2.gz YEZXLQSXAFRSSY-IBGZPJMESA-N 3 2 332.492 1.319 20 0 EDADLP CN(C)C(=O)CC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667961222 487035156 /nfs/dbraw/zinc/03/51/56/487035156.db2.gz GYSWBENPXYQQND-UHFFFAOYSA-N 2 2 327.432 1.958 20 0 EDADLP Cc1nc(N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)c(C)[nH+]1 ZINC000322928724 487090987 /nfs/dbraw/zinc/09/09/87/487090987.db2.gz YQADRQUMGVDGLE-LBPRGKRZSA-N 2 2 340.269 1.340 20 0 EDADLP CN(C(=O)COc1ccc(O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673670056 487085366 /nfs/dbraw/zinc/08/53/66/487085366.db2.gz PNFDNLFZWBMRIJ-INIZCTEOSA-N 2 2 347.459 1.398 20 0 EDADLP CN(C(=O)COc1ccc(O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673670056 487085369 /nfs/dbraw/zinc/08/53/69/487085369.db2.gz PNFDNLFZWBMRIJ-INIZCTEOSA-N 2 2 347.459 1.398 20 0 EDADLP CCO[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000677579602 487123592 /nfs/dbraw/zinc/12/35/92/487123592.db2.gz TWBLDIVLCYZPTJ-INIZCTEOSA-N 2 2 326.485 1.223 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CCSC1 ZINC000673982036 487176757 /nfs/dbraw/zinc/17/67/57/487176757.db2.gz JGRSBRHBKMRCBW-HOCLYGCPSA-N 2 2 337.493 1.667 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H]2CCCc3cccnc32)C1=O ZINC000684962058 487201192 /nfs/dbraw/zinc/20/11/92/487201192.db2.gz QHWFQXVKILVQEC-CVEARBPZSA-N 2 2 339.443 1.973 20 0 EDADLP COc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1F ZINC000685453967 487277230 /nfs/dbraw/zinc/27/72/30/487277230.db2.gz IZAYWJWVUABZGX-UHFFFAOYSA-N 2 2 349.450 1.820 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CCC[C@@H]([NH2+]C(C)C)C3)ccc2[nH+]1 ZINC000682352308 487348809 /nfs/dbraw/zinc/34/88/09/487348809.db2.gz JOLLNXWAOZEUPY-CQSZACIVSA-N 2 2 343.431 1.570 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000682512227 487379055 /nfs/dbraw/zinc/37/90/55/487379055.db2.gz JESONSYTEBJWCA-HZPDHXFCSA-N 2 2 332.448 1.159 20 0 EDADLP CC(C)(CO)[NH+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000679314302 487412183 /nfs/dbraw/zinc/41/21/83/487412183.db2.gz DRDWFTPEQUMHEQ-UHFFFAOYSA-N 2 2 342.443 1.460 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000675837586 487449805 /nfs/dbraw/zinc/44/98/05/487449805.db2.gz AAZQWPUFURCJAP-ZIFCJYIRSA-N 2 2 333.476 1.935 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOC[C@H]1CCOC1 ZINC000675837586 487449808 /nfs/dbraw/zinc/44/98/08/487449808.db2.gz AAZQWPUFURCJAP-ZIFCJYIRSA-N 2 2 333.476 1.935 20 0 EDADLP Cc1ccc(CNC(=O)N2CC[NH+](C3CC3)CC2)c(N2CCCC2)[nH+]1 ZINC000679703711 487459822 /nfs/dbraw/zinc/45/98/22/487459822.db2.gz HRBOWCIOFHDEPH-UHFFFAOYSA-N 2 2 343.475 1.980 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669565755 485575696 /nfs/dbraw/zinc/57/56/96/485575696.db2.gz RCJFWMBHLWWMNK-ARFHVFGLSA-N 2 2 331.464 1.619 20 0 EDADLP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669100301 485654650 /nfs/dbraw/zinc/65/46/50/485654650.db2.gz CZXXCJQDMBTCRL-RDJZCZTQSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669100301 485654652 /nfs/dbraw/zinc/65/46/52/485654652.db2.gz CZXXCJQDMBTCRL-RDJZCZTQSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000672961681 485838393 /nfs/dbraw/zinc/83/83/93/485838393.db2.gz KLZNVYYCEUNPFL-CRAIPNDOSA-N 2 2 346.475 1.231 20 0 EDADLP C[C@@H](NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000672961681 485838399 /nfs/dbraw/zinc/83/83/99/485838399.db2.gz KLZNVYYCEUNPFL-CRAIPNDOSA-N 2 2 346.475 1.231 20 0 EDADLP C[C@@H](NC(=O)N1CC([NH+](C)Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000672961681 485838405 /nfs/dbraw/zinc/83/84/05/485838405.db2.gz KLZNVYYCEUNPFL-CRAIPNDOSA-N 2 2 346.475 1.231 20 0 EDADLP C[C@@H](NC(=O)N1CC([NH+](C)Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000672961681 485838410 /nfs/dbraw/zinc/83/84/10/485838410.db2.gz KLZNVYYCEUNPFL-CRAIPNDOSA-N 2 2 346.475 1.231 20 0 EDADLP COCn1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000669251543 485858707 /nfs/dbraw/zinc/85/87/07/485858707.db2.gz FCDBXKAAUCWPKS-UHFFFAOYSA-N 2 2 349.479 1.167 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2ncccc2F)([NH+]2CCCCC2)CC1 ZINC000669252494 485859386 /nfs/dbraw/zinc/85/93/86/485859386.db2.gz MQPAAWDNENNLFX-UHFFFAOYSA-N 2 2 334.439 1.901 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)CC(C)(C)[NH3+])CC2)c1 ZINC000237233070 485964653 /nfs/dbraw/zinc/96/46/53/485964653.db2.gz FVTIEHHAMUOCFD-UHFFFAOYSA-N 2 2 335.448 1.475 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCC([N@H+](C)CCCO)CC3)cc12 ZINC000115549356 485970277 /nfs/dbraw/zinc/97/02/77/485970277.db2.gz HYADSVOWOLEBSA-UHFFFAOYSA-N 2 2 331.464 1.555 20 0 EDADLP Cc1nn(C)c2ncc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)cc12 ZINC000115549356 485970280 /nfs/dbraw/zinc/97/02/80/485970280.db2.gz HYADSVOWOLEBSA-UHFFFAOYSA-N 2 2 331.464 1.555 20 0 EDADLP Cc1csc([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640468 485983748 /nfs/dbraw/zinc/98/37/48/485983748.db2.gz RWAHRUIZIZNVHO-UONOGXRCSA-N 2 2 336.505 1.840 20 0 EDADLP Cc1csc([C@@H](C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640468 485983753 /nfs/dbraw/zinc/98/37/53/485983753.db2.gz RWAHRUIZIZNVHO-UONOGXRCSA-N 2 2 336.505 1.840 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669388013 486022630 /nfs/dbraw/zinc/02/26/30/486022630.db2.gz STJIWOYHJBDPQQ-GOEBONIOSA-N 2 2 329.448 1.444 20 0 EDADLP O[C@@H](C[NH+]1CC(C2CCOCC2)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000669665773 486024079 /nfs/dbraw/zinc/02/40/79/486024079.db2.gz WLLOKBIBAJYWJS-HXUWFJFHSA-N 2 2 330.472 1.764 20 0 EDADLP O[C@@H](C[NH+]1CC(C2CCOCC2)C1)C[N@H+]1CCc2ccccc2C1 ZINC000669665773 486024081 /nfs/dbraw/zinc/02/40/81/486024081.db2.gz WLLOKBIBAJYWJS-HXUWFJFHSA-N 2 2 330.472 1.764 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000669399191 486061583 /nfs/dbraw/zinc/06/15/83/486061583.db2.gz IRKBFLSJCYVOTH-QZTJIDSGSA-N 2 2 346.475 1.420 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(-c2cccnc2)n1 ZINC000668741161 486113065 /nfs/dbraw/zinc/11/30/65/486113065.db2.gz OGMKEOXBGIYNBK-SFHVURJKSA-N 2 2 341.459 1.513 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c(-c2cccnc2)n1 ZINC000668741161 486113072 /nfs/dbraw/zinc/11/30/72/486113072.db2.gz OGMKEOXBGIYNBK-SFHVURJKSA-N 2 2 341.459 1.513 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(C3CCOCC3)C2)CC1 ZINC000669768328 486131689 /nfs/dbraw/zinc/13/16/89/486131689.db2.gz MDXLBXLKTNGBGH-UHFFFAOYSA-N 2 2 338.496 1.080 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000668757451 486157654 /nfs/dbraw/zinc/15/76/54/486157654.db2.gz HAACAGQJHDHNMX-QWHCGFSZSA-N 2 2 336.436 1.049 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000668757451 486157658 /nfs/dbraw/zinc/15/76/58/486157658.db2.gz HAACAGQJHDHNMX-QWHCGFSZSA-N 2 2 336.436 1.049 20 0 EDADLP [NH3+]C/C=C\CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000669474540 486227758 /nfs/dbraw/zinc/22/77/58/486227758.db2.gz OLUAFQRXOLQPCJ-UIIMQBOASA-N 2 2 338.402 1.743 20 0 EDADLP [NH3+]C/C=C\CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000669474540 486227764 /nfs/dbraw/zinc/22/77/64/486227764.db2.gz OLUAFQRXOLQPCJ-UIIMQBOASA-N 2 2 338.402 1.743 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@H](C)[NH+]3CCOCC3)C1)CCCC2 ZINC000330282901 486241533 /nfs/dbraw/zinc/24/15/33/486241533.db2.gz VSKDYCICHZFDAB-GOEBONIOSA-N 2 2 346.475 1.564 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC/C=C\C[NH3+])cc1 ZINC000668844178 486254204 /nfs/dbraw/zinc/25/42/04/486254204.db2.gz PMWOLTKQDQDJCE-KYVUIXNKSA-N 2 2 332.448 1.182 20 0 EDADLP C[NH+]1CCC(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])([NH+]2CCCCC2)CC1 ZINC000261930443 486648289 /nfs/dbraw/zinc/64/82/89/486648289.db2.gz ZWXWPRZUHGIYCD-DLBZAZTESA-N 3 2 336.524 1.570 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000332045779 500901578 /nfs/dbraw/zinc/90/15/78/500901578.db2.gz KNDRKEUUAPKZOQ-QLFBSQMISA-N 2 2 347.463 1.199 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000263679771 536435285 /nfs/dbraw/zinc/43/52/85/536435285.db2.gz KTXVOPHZXJMQSU-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000263679771 536435289 /nfs/dbraw/zinc/43/52/89/536435289.db2.gz KTXVOPHZXJMQSU-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000346853087 535219816 /nfs/dbraw/zinc/21/98/16/535219816.db2.gz XRFONXOTIWPUEN-KRWDZBQOSA-N 2 2 328.416 1.598 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000346853087 535219817 /nfs/dbraw/zinc/21/98/17/535219817.db2.gz XRFONXOTIWPUEN-KRWDZBQOSA-N 2 2 328.416 1.598 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000352666350 535221753 /nfs/dbraw/zinc/22/17/53/535221753.db2.gz VKRFWPGYMGMISJ-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000352666350 535221767 /nfs/dbraw/zinc/22/17/67/535221767.db2.gz VKRFWPGYMGMISJ-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000263860222 535598944 /nfs/dbraw/zinc/59/89/44/535598944.db2.gz JCGHIELTHBCYTG-UHFFFAOYSA-N 2 2 333.476 1.933 20 0 EDADLP CCN1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332359425 535611441 /nfs/dbraw/zinc/61/14/41/535611441.db2.gz SBGSZGGPNXUOPW-INIZCTEOSA-N 2 2 333.480 1.735 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000072835208 535664303 /nfs/dbraw/zinc/66/43/03/535664303.db2.gz HTHBTUHKVMPUMT-QGZVFWFLSA-N 2 2 348.491 1.340 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352812802 535708918 /nfs/dbraw/zinc/70/89/18/535708918.db2.gz IIXLOTIISIHXOL-HNNXBMFYSA-N 3 2 339.553 1.568 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000343254829 535719002 /nfs/dbraw/zinc/71/90/02/535719002.db2.gz USWWILKQEVANQK-NCXUSEDFSA-N 3 2 338.540 1.007 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000271165182 535917065 /nfs/dbraw/zinc/91/70/65/535917065.db2.gz HCBKBVPMLFEAHW-UHFFFAOYSA-N 2 2 329.448 1.672 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000077930846 536128655 /nfs/dbraw/zinc/12/86/55/536128655.db2.gz XFTIZXOXPXLLFQ-INIZCTEOSA-N 2 2 338.427 1.060 20 0 EDADLP C[NH2+][C@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)c1cnn(C)c1 ZINC000262408275 536384317 /nfs/dbraw/zinc/38/43/17/536384317.db2.gz QHROCKXRNOPFIE-KRWDZBQOSA-N 2 2 342.447 1.382 20 0 EDADLP C[NH2+][C@H]1CCCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000261749715 536411917 /nfs/dbraw/zinc/41/19/17/536411917.db2.gz LRPBDBAIKIQQHL-INIZCTEOSA-N 2 2 336.505 1.076 20 0 EDADLP C[NH2+][C@H]1CCCN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000261807290 536412547 /nfs/dbraw/zinc/41/25/47/536412547.db2.gz SCPOETOFEJTRNS-SFHVURJKSA-N 2 2 346.475 1.141 20 0 EDADLP COC1(C)CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000345631313 536574082 /nfs/dbraw/zinc/57/40/82/536574082.db2.gz NLYQAOBDDKJMKF-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP COC(=O)[C@H](C1CC1)[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346883825 536645200 /nfs/dbraw/zinc/64/52/00/536645200.db2.gz MJNFMNOBZQDAOZ-PVAVHDDUSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@H](C1CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346883825 536645206 /nfs/dbraw/zinc/64/52/06/536645206.db2.gz MJNFMNOBZQDAOZ-PVAVHDDUSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@H](C1CC1)[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346883825 536645212 /nfs/dbraw/zinc/64/52/12/536645212.db2.gz MJNFMNOBZQDAOZ-PVAVHDDUSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@H](C1CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346883825 536645216 /nfs/dbraw/zinc/64/52/16/536645216.db2.gz MJNFMNOBZQDAOZ-PVAVHDDUSA-N 2 2 334.464 1.686 20 0 EDADLP COCC[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000339930032 536775925 /nfs/dbraw/zinc/77/59/25/536775925.db2.gz BZISGDUYTABMGZ-UHFFFAOYSA-N 2 2 340.493 1.892 20 0 EDADLP COCC[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000339930032 536775931 /nfs/dbraw/zinc/77/59/31/536775931.db2.gz BZISGDUYTABMGZ-UHFFFAOYSA-N 2 2 340.493 1.892 20 0 EDADLP COc1cccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050801678 537102675 /nfs/dbraw/zinc/10/26/75/537102675.db2.gz NSIYUVNSABORBT-UHFFFAOYSA-N 2 2 345.487 1.913 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1)[NH+](C)C ZINC000740717750 579380602 /nfs/dbraw/zinc/38/06/02/579380602.db2.gz QQVXRKJWIGRKGY-ZDUSSCGKSA-N 2 2 326.510 1.598 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000743980082 579496562 /nfs/dbraw/zinc/49/65/62/579496562.db2.gz KBNMZWXPTAODEQ-CQSZACIVSA-N 2 2 341.415 1.411 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000743980082 579496563 /nfs/dbraw/zinc/49/65/63/579496563.db2.gz KBNMZWXPTAODEQ-CQSZACIVSA-N 2 2 341.415 1.411 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000726255349 578338887 /nfs/dbraw/zinc/33/88/87/578338887.db2.gz UOXFGFJJSYNHMN-SJLPKXTDSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCO1 ZINC000726255349 578338888 /nfs/dbraw/zinc/33/88/88/578338888.db2.gz UOXFGFJJSYNHMN-SJLPKXTDSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000726256331 578339161 /nfs/dbraw/zinc/33/91/61/578339161.db2.gz ODPFJQWZENHUGS-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000726256331 578339162 /nfs/dbraw/zinc/33/91/62/578339162.db2.gz ODPFJQWZENHUGS-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000726256331 578339164 /nfs/dbraw/zinc/33/91/64/578339164.db2.gz ODPFJQWZENHUGS-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000726256331 578339165 /nfs/dbraw/zinc/33/91/65/578339165.db2.gz ODPFJQWZENHUGS-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1C ZINC000740883349 578561988 /nfs/dbraw/zinc/56/19/88/578561988.db2.gz NUDDXEYEANSOBJ-KBPBESRZSA-N 2 2 343.493 1.835 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1C ZINC000740883349 578561989 /nfs/dbraw/zinc/56/19/89/578561989.db2.gz NUDDXEYEANSOBJ-KBPBESRZSA-N 2 2 343.493 1.835 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1C ZINC000740883349 578561990 /nfs/dbraw/zinc/56/19/90/578561990.db2.gz NUDDXEYEANSOBJ-KBPBESRZSA-N 2 2 343.493 1.835 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1C ZINC000740883349 578561991 /nfs/dbraw/zinc/56/19/91/578561991.db2.gz NUDDXEYEANSOBJ-KBPBESRZSA-N 2 2 343.493 1.835 20 0 EDADLP Cc1ccc(OCC[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000729928616 578603766 /nfs/dbraw/zinc/60/37/66/578603766.db2.gz KHOZRGNTJDXBAI-IBGZPJMESA-N 2 2 333.476 1.322 20 0 EDADLP Cc1ccc(OCC[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000729928616 578603768 /nfs/dbraw/zinc/60/37/68/578603768.db2.gz KHOZRGNTJDXBAI-IBGZPJMESA-N 2 2 333.476 1.322 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000730908506 578663267 /nfs/dbraw/zinc/66/32/67/578663267.db2.gz UAGUKXJTDMBZAL-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000730908506 578663269 /nfs/dbraw/zinc/66/32/69/578663269.db2.gz UAGUKXJTDMBZAL-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000732201197 578697202 /nfs/dbraw/zinc/69/72/02/578697202.db2.gz OCTCOWGOZBNUND-HKUYNNGSSA-N 2 2 333.476 1.058 20 0 EDADLP C[C@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000732201197 578697204 /nfs/dbraw/zinc/69/72/04/578697204.db2.gz OCTCOWGOZBNUND-HKUYNNGSSA-N 2 2 333.476 1.058 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000735892352 578936599 /nfs/dbraw/zinc/93/65/99/578936599.db2.gz GKNSAUCXSRWUOB-UHFFFAOYSA-N 2 2 330.436 1.708 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000761076167 580046813 /nfs/dbraw/zinc/04/68/13/580046813.db2.gz ILRFLXYMTAMVCV-SFHVURJKSA-N 2 2 344.503 1.275 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000761076167 580046814 /nfs/dbraw/zinc/04/68/14/580046814.db2.gz ILRFLXYMTAMVCV-SFHVURJKSA-N 2 2 344.503 1.275 20 0 EDADLP CCCC[C@H]1NC(=O)N(C[NH+]2CCC(OCC[NH+](C)C)CC2)C1=O ZINC000738212301 579172885 /nfs/dbraw/zinc/17/28/85/579172885.db2.gz YXWLEOWCWCURBY-OAHLLOKOSA-N 2 2 340.468 1.097 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)[C@@H]4[C@H]5CCC[C@@H]5CN4C3=O)C2)CC1 ZINC000761307204 580054535 /nfs/dbraw/zinc/05/45/35/580054535.db2.gz YEYQKOOPNAGCOT-IWCQGFGOSA-N 2 2 346.475 1.218 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)[C@@H]4[C@H]5CCC[C@@H]5CN4C3=O)C2)CC1 ZINC000761307204 580054536 /nfs/dbraw/zinc/05/45/36/580054536.db2.gz YEYQKOOPNAGCOT-IWCQGFGOSA-N 2 2 346.475 1.218 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1C ZINC000745416080 579549403 /nfs/dbraw/zinc/54/94/03/579549403.db2.gz WESBYVIGRFOSQY-HIFRSBDPSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1C ZINC000745416080 579549404 /nfs/dbraw/zinc/54/94/04/579549404.db2.gz WESBYVIGRFOSQY-HIFRSBDPSA-N 2 2 328.420 1.549 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cn1c2ccccc2oc1=O ZINC000746651880 579604992 /nfs/dbraw/zinc/60/49/92/579604992.db2.gz UZFPKQZREAYIRS-KEYYUXOJSA-N 2 2 331.416 1.736 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cn1c2ccccc2oc1=O ZINC000746651880 579604994 /nfs/dbraw/zinc/60/49/94/579604994.db2.gz UZFPKQZREAYIRS-KEYYUXOJSA-N 2 2 331.416 1.736 20 0 EDADLP C[C@H](CNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000749211233 579717068 /nfs/dbraw/zinc/71/70/68/579717068.db2.gz QFYPAPOIHUKGRT-OAHLLOKOSA-N 2 2 342.447 1.941 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000749491665 579728519 /nfs/dbraw/zinc/72/85/19/579728519.db2.gz WWWOXTFNYOMNCC-PMPSAXMXSA-N 2 2 341.496 1.821 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000749491665 579728521 /nfs/dbraw/zinc/72/85/21/579728521.db2.gz WWWOXTFNYOMNCC-PMPSAXMXSA-N 2 2 341.496 1.821 20 0 EDADLP NS(=O)(=O)c1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000749845327 579742039 /nfs/dbraw/zinc/74/20/39/579742039.db2.gz QHHMGVNBMVFPKW-AWEZNQCLSA-N 2 2 334.445 1.479 20 0 EDADLP NS(=O)(=O)c1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000749845327 579742040 /nfs/dbraw/zinc/74/20/40/579742040.db2.gz QHHMGVNBMVFPKW-AWEZNQCLSA-N 2 2 334.445 1.479 20 0 EDADLP COc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000752413142 579849439 /nfs/dbraw/zinc/84/94/39/579849439.db2.gz GGRFLQCJOQNMMW-OAHLLOKOSA-N 2 2 332.448 1.331 20 0 EDADLP COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000752413142 579849441 /nfs/dbraw/zinc/84/94/41/579849441.db2.gz GGRFLQCJOQNMMW-OAHLLOKOSA-N 2 2 332.448 1.331 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)C1 ZINC000778218306 580458913 /nfs/dbraw/zinc/45/89/13/580458913.db2.gz QJEKTXJLLLCNSS-HNNXBMFYSA-N 2 2 331.416 1.748 20 0 EDADLP CN(C)c1cc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccn1 ZINC000754072475 579895565 /nfs/dbraw/zinc/89/55/65/579895565.db2.gz ZKSQGERZYPSZGW-INIZCTEOSA-N 2 2 331.464 1.062 20 0 EDADLP CN(C)c1cc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccn1 ZINC000754072475 579895566 /nfs/dbraw/zinc/89/55/66/579895566.db2.gz ZKSQGERZYPSZGW-INIZCTEOSA-N 2 2 331.464 1.062 20 0 EDADLP C[NH+](C)CCCNC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754526373 579905451 /nfs/dbraw/zinc/90/54/51/579905451.db2.gz NDCPERXGRHHUOE-UHFFFAOYSA-N 2 2 327.498 1.147 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000758692142 579989584 /nfs/dbraw/zinc/98/95/84/579989584.db2.gz ZJAQDZORMWCULC-MRXNPFEDSA-N 2 2 342.447 1.941 20 0 EDADLP Cn1c2ccncc2n(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1=O ZINC000766383633 580165764 /nfs/dbraw/zinc/16/57/64/580165764.db2.gz YUKANKUQTOTISH-UHFFFAOYSA-N 2 2 331.464 1.746 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000766782524 580173819 /nfs/dbraw/zinc/17/38/19/580173819.db2.gz GGUAUXSTSRRBMT-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)CCO1 ZINC000766782524 580173820 /nfs/dbraw/zinc/17/38/20/580173820.db2.gz GGUAUXSTSRRBMT-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000768501106 580214801 /nfs/dbraw/zinc/21/48/01/580214801.db2.gz TZNYPFXMLPEQDX-VBQJREDUSA-N 2 2 337.489 1.242 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000768501106 580214802 /nfs/dbraw/zinc/21/48/02/580214802.db2.gz TZNYPFXMLPEQDX-VBQJREDUSA-N 2 2 337.489 1.242 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000768501106 580214803 /nfs/dbraw/zinc/21/48/03/580214803.db2.gz TZNYPFXMLPEQDX-VBQJREDUSA-N 2 2 337.489 1.242 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C(=O)C[C@]3(CCSC3)C2=O)C1 ZINC000768501106 580214804 /nfs/dbraw/zinc/21/48/04/580214804.db2.gz TZNYPFXMLPEQDX-VBQJREDUSA-N 2 2 337.489 1.242 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000769495054 580238462 /nfs/dbraw/zinc/23/84/62/580238462.db2.gz PCLQFJLVBDKJIS-UHFFFAOYSA-N 2 2 333.432 1.195 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000770025746 580251419 /nfs/dbraw/zinc/25/14/19/580251419.db2.gz SVWYVJJXNWUBBZ-OAHLLOKOSA-N 2 2 328.416 1.664 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC000770025746 580251420 /nfs/dbraw/zinc/25/14/20/580251420.db2.gz SVWYVJJXNWUBBZ-OAHLLOKOSA-N 2 2 328.416 1.664 20 0 EDADLP COC(=O)c1cn(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)nn1 ZINC000773339826 580334671 /nfs/dbraw/zinc/33/46/71/580334671.db2.gz PFDLTFKWAQVDMH-UHFFFAOYSA-N 2 2 331.376 1.269 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(Cl)c3O)C2)CC1 ZINC000775736404 580398974 /nfs/dbraw/zinc/39/89/74/580398974.db2.gz SNNTVQPLIPXIJF-LBPRGKRZSA-N 2 2 337.851 1.944 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(Cl)c3O)C2)CC1 ZINC000775736404 580398975 /nfs/dbraw/zinc/39/89/75/580398975.db2.gz SNNTVQPLIPXIJF-LBPRGKRZSA-N 2 2 337.851 1.944 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(N(C)C)[nH+]1 ZINC000783395388 580599358 /nfs/dbraw/zinc/59/93/58/580599358.db2.gz RCXFTRZLSOIOOL-CQSZACIVSA-N 2 2 347.463 1.195 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(N(C)C)[nH+]1 ZINC000783395388 580599359 /nfs/dbraw/zinc/59/93/59/580599359.db2.gz RCXFTRZLSOIOOL-CQSZACIVSA-N 2 2 347.463 1.195 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000783568770 580601438 /nfs/dbraw/zinc/60/14/38/580601438.db2.gz FIPMWNLSPRECTD-ZDUSSCGKSA-N 2 2 326.437 1.332 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000783568770 580601439 /nfs/dbraw/zinc/60/14/39/580601439.db2.gz FIPMWNLSPRECTD-ZDUSSCGKSA-N 2 2 326.437 1.332 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000783985255 580610243 /nfs/dbraw/zinc/61/02/43/580610243.db2.gz UEDQQOXEUJBDKN-JKSUJKDBSA-N 2 2 331.464 1.254 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000783987719 580610446 /nfs/dbraw/zinc/61/04/46/580610446.db2.gz CFNKIIWTTVEMBD-KBPBESRZSA-N 2 2 348.447 1.357 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC000783987719 580610447 /nfs/dbraw/zinc/61/04/47/580610447.db2.gz CFNKIIWTTVEMBD-KBPBESRZSA-N 2 2 348.447 1.357 20 0 EDADLP C[C@@H](C[NH2+]Cc1cc(Br)nn1C)C[NH+]1CCOCC1 ZINC000785474368 580645336 /nfs/dbraw/zinc/64/53/36/580645336.db2.gz RUYMPQAGXYKJJS-NSHDSACASA-N 2 2 331.258 1.241 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCNC2=O)cc1 ZINC000786833731 580680627 /nfs/dbraw/zinc/68/06/27/580680627.db2.gz AAXPWSYTRYCZGX-RHSMWYFYSA-N 2 2 331.464 1.113 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCNC2=O)cc1 ZINC000786833731 580680628 /nfs/dbraw/zinc/68/06/28/580680628.db2.gz AAXPWSYTRYCZGX-RHSMWYFYSA-N 2 2 331.464 1.113 20 0 EDADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786838927 580680756 /nfs/dbraw/zinc/68/07/56/580680756.db2.gz WJELUPYOEQXBEF-OAHLLOKOSA-N 2 2 346.475 1.978 20 0 EDADLP CCNC(=O)C[C@H]1CCCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000789518466 580748248 /nfs/dbraw/zinc/74/82/48/580748248.db2.gz GFMVXJRMRDUTHO-HUUCEWRRSA-N 2 2 347.463 1.074 20 0 EDADLP CCNC(=O)C[C@H]1CCCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000789518466 580748249 /nfs/dbraw/zinc/74/82/49/580748249.db2.gz GFMVXJRMRDUTHO-HUUCEWRRSA-N 2 2 347.463 1.074 20 0 EDADLP Cc1ccc(N2C(=O)C[C@H]([NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)C2=O)cc1 ZINC000793702862 580852493 /nfs/dbraw/zinc/85/24/93/580852493.db2.gz YNBLFRRIDRROEI-LPHOPBHVSA-N 2 2 327.428 1.655 20 0 EDADLP Cc1ccc(N2C(=O)C[C@H]([NH+]3CC[C@]4(CC[N@H+](C)C4)C3)C2=O)cc1 ZINC000793702862 580852494 /nfs/dbraw/zinc/85/24/94/580852494.db2.gz YNBLFRRIDRROEI-LPHOPBHVSA-N 2 2 327.428 1.655 20 0 EDADLP Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)C2=O)cc1 ZINC000793702862 580852495 /nfs/dbraw/zinc/85/24/95/580852495.db2.gz YNBLFRRIDRROEI-LPHOPBHVSA-N 2 2 327.428 1.655 20 0 EDADLP Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@]4(CC[NH+](C)C4)C3)C2=O)cc1 ZINC000793702862 580852496 /nfs/dbraw/zinc/85/24/96/580852496.db2.gz YNBLFRRIDRROEI-LPHOPBHVSA-N 2 2 327.428 1.655 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](CO)[C@H]3CCOC3)CC2)cc1 ZINC000795830823 580938663 /nfs/dbraw/zinc/93/86/63/580938663.db2.gz AEPYQLWUHWYPOM-IRXDYDNUSA-N 2 2 347.503 1.956 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH2+]Cc3ncc(C[NH+](C)C)s3)C2=O)n1 ZINC000796316298 580950755 /nfs/dbraw/zinc/95/07/55/580950755.db2.gz RJGXJXIVWXOHOF-CYBMUJFWSA-N 2 2 348.476 1.223 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)N[C@@](C(C)C)(C2CC2)C1=O ZINC000799135160 581018111 /nfs/dbraw/zinc/01/81/11/581018111.db2.gz ACCLQWYFWAXOBA-SFHVURJKSA-N 2 2 347.463 1.828 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)N[C@@](C(C)C)(C2CC2)C1=O ZINC000799135160 581018112 /nfs/dbraw/zinc/01/81/12/581018112.db2.gz ACCLQWYFWAXOBA-SFHVURJKSA-N 2 2 347.463 1.828 20 0 EDADLP C[C@@H](O)C[C@H](C)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893043384 590632572 /nfs/dbraw/zinc/63/25/72/590632572.db2.gz XAWHTTREBXWSME-LSDHHAIUSA-N 2 2 343.512 1.972 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cn3ccnc3s2)CC1 ZINC000891926685 590691132 /nfs/dbraw/zinc/69/11/32/590691132.db2.gz NVFPVKFOWZPSHJ-UHFFFAOYSA-N 2 2 335.477 1.382 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])C2)c1 ZINC000892056481 590776486 /nfs/dbraw/zinc/77/64/86/590776486.db2.gz SMBIWMBMOAPPFJ-WBVHZDCISA-N 2 2 334.464 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])C2)c1 ZINC000892056481 590776487 /nfs/dbraw/zinc/77/64/87/590776487.db2.gz SMBIWMBMOAPPFJ-WBVHZDCISA-N 2 2 334.464 1.232 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892090719 590793801 /nfs/dbraw/zinc/79/38/01/590793801.db2.gz HDZCPELDSCRHMO-PVAVHDDUSA-N 2 2 327.432 1.922 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)[nH+]c12 ZINC000893382135 590820078 /nfs/dbraw/zinc/82/00/78/590820078.db2.gz NBVKSYQAWTTYLU-GOEBONIOSA-N 2 2 327.432 1.531 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000890931797 590853712 /nfs/dbraw/zinc/85/37/12/590853712.db2.gz PAQIBTBRYYUWJX-OAHLLOKOSA-N 2 2 328.501 1.374 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000890931797 590853714 /nfs/dbraw/zinc/85/37/14/590853714.db2.gz PAQIBTBRYYUWJX-OAHLLOKOSA-N 2 2 328.501 1.374 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891333821 591048819 /nfs/dbraw/zinc/04/88/19/591048819.db2.gz WCBXQAUXHQFQEL-LSDHHAIUSA-N 2 2 326.404 1.303 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000891358371 591058595 /nfs/dbraw/zinc/05/85/95/591058595.db2.gz NSCGUZBPEPJTCC-OIISXLGYSA-N 2 2 332.448 1.191 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)C2)cc1 ZINC000892611264 591095049 /nfs/dbraw/zinc/09/50/49/591095049.db2.gz MSZBHQUITGLSFI-JQHSSLGASA-N 2 2 346.475 1.327 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)C2)cc1 ZINC000892611264 591095057 /nfs/dbraw/zinc/09/50/57/591095057.db2.gz MSZBHQUITGLSFI-JQHSSLGASA-N 2 2 346.475 1.327 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C2)cc1 ZINC000892612019 591095479 /nfs/dbraw/zinc/09/54/79/591095479.db2.gz SSFOQWJLAAEKED-KRWDZBQOSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C2)cc1 ZINC000892612019 591095484 /nfs/dbraw/zinc/09/54/84/591095484.db2.gz SSFOQWJLAAEKED-KRWDZBQOSA-N 2 2 348.491 1.622 20 0 EDADLP F[C@H]1CC2(CC[C@H]1[NH+]1CCN(CC[NH+]3CCCC3)CC1)OCCO2 ZINC000891506342 591099397 /nfs/dbraw/zinc/09/93/97/591099397.db2.gz XDNHMPLJISCQOL-DLBZAZTESA-N 2 2 341.471 1.334 20 0 EDADLP F[C@H]1CC2(CC[C@@H]1[NH+]1CCN(CC[NH+]3CCCC3)CC1)OCCO2 ZINC000891506344 591099457 /nfs/dbraw/zinc/09/94/57/591099457.db2.gz XDNHMPLJISCQOL-IRXDYDNUSA-N 2 2 341.471 1.334 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000891562799 591128632 /nfs/dbraw/zinc/12/86/32/591128632.db2.gz VNQOMYJDQTZWBU-IYBDPMFKSA-N 2 2 341.459 1.938 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000891562799 591128635 /nfs/dbraw/zinc/12/86/35/591128635.db2.gz VNQOMYJDQTZWBU-IYBDPMFKSA-N 2 2 341.459 1.938 20 0 EDADLP CC[C@H](CO)Nc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc[nH+]1 ZINC000891571737 591131075 /nfs/dbraw/zinc/13/10/75/591131075.db2.gz DBDYZLJLXIQJEN-HUUCEWRRSA-N 2 2 337.468 1.428 20 0 EDADLP CC[C@H](CO)Nc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc[nH+]1 ZINC000891571737 591131077 /nfs/dbraw/zinc/13/10/77/591131077.db2.gz DBDYZLJLXIQJEN-HUUCEWRRSA-N 2 2 337.468 1.428 20 0 EDADLP CC[C@H](CO)Nc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)[nH+]cn1 ZINC000891571737 591131080 /nfs/dbraw/zinc/13/10/80/591131080.db2.gz DBDYZLJLXIQJEN-HUUCEWRRSA-N 2 2 337.468 1.428 20 0 EDADLP CC[C@H](CO)Nc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[nH+]cn1 ZINC000891571737 591131082 /nfs/dbraw/zinc/13/10/82/591131082.db2.gz DBDYZLJLXIQJEN-HUUCEWRRSA-N 2 2 337.468 1.428 20 0 EDADLP CC[N@H+](CC(=O)NC)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000893940141 591144121 /nfs/dbraw/zinc/14/41/21/591144121.db2.gz JGBWABAKPYBCQH-UHFFFAOYSA-N 2 2 343.374 1.638 20 0 EDADLP CC[N@@H+](CC(=O)NC)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000893940141 591144122 /nfs/dbraw/zinc/14/41/22/591144122.db2.gz JGBWABAKPYBCQH-UHFFFAOYSA-N 2 2 343.374 1.638 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)C(=O)N(C)C ZINC000893997354 591158552 /nfs/dbraw/zinc/15/85/52/591158552.db2.gz LJXZHDTVSPTGCH-ZDUSSCGKSA-N 2 2 342.484 1.042 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[NH+](CCOC(C)C)CC2)nc[nH+]1 ZINC000892764972 591166246 /nfs/dbraw/zinc/16/62/46/591166246.db2.gz QJVUZWYFDTVSFY-OAHLLOKOSA-N 2 2 337.468 1.206 20 0 EDADLP NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891660673 591172873 /nfs/dbraw/zinc/17/28/73/591172873.db2.gz QBIVSONPZATCDU-INIZCTEOSA-N 2 2 336.399 1.078 20 0 EDADLP C[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894044427 591177172 /nfs/dbraw/zinc/17/71/72/591177172.db2.gz UWITYCIJQHIQHJ-HOCLYGCPSA-N 2 2 341.496 1.990 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@@]2([NH+](C)C)CCSC2)nc[nH+]1 ZINC000892797358 591181036 /nfs/dbraw/zinc/18/10/36/591181036.db2.gz RTTHLWUUIKGESZ-WFASDCNBSA-N 2 2 325.482 1.509 20 0 EDADLP C[NH+](C)[C@@H]1[C@H]2CN(c3[nH+]cnc4c3cnn4-c3ccccc3F)C[C@H]21 ZINC000894081750 591182488 /nfs/dbraw/zinc/18/24/88/591182488.db2.gz BOCZPKBXILPBLQ-VIKVFOODSA-N 2 2 338.390 1.951 20 0 EDADLP CC1(C)CC[C@@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[NH2+]C1 ZINC000891709324 591195485 /nfs/dbraw/zinc/19/54/85/591195485.db2.gz PTTSNBYQWAKIFZ-LSDHHAIUSA-N 2 2 331.464 1.738 20 0 EDADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895890419 591298369 /nfs/dbraw/zinc/29/83/69/591298369.db2.gz HHOBEMVFZHRKKE-KRWDZBQOSA-N 2 2 340.427 1.518 20 0 EDADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894445305 591313452 /nfs/dbraw/zinc/31/34/52/591313452.db2.gz JGIZEJKLLVBUSC-ZNMIVQPWSA-N 2 2 341.496 1.989 20 0 EDADLP COC(=O)c1cnc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000894484544 591323324 /nfs/dbraw/zinc/32/33/24/591323324.db2.gz SZGYDUPOZFZTEL-GFCCVEGCSA-N 2 2 326.466 1.045 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NCC2([NH+]3CCCC3)CCOCC2)c[nH+]1 ZINC000896184139 591372160 /nfs/dbraw/zinc/37/21/60/591372160.db2.gz MHSTYINTOWMSNG-UHFFFAOYSA-N 2 2 334.464 1.688 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898494011 591378545 /nfs/dbraw/zinc/37/85/45/591378545.db2.gz CVVSYSJMKMLTIX-HZPDHXFCSA-N 2 2 329.460 1.330 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898494011 591378549 /nfs/dbraw/zinc/37/85/49/591378549.db2.gz CVVSYSJMKMLTIX-HZPDHXFCSA-N 2 2 329.460 1.330 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000896480014 591479112 /nfs/dbraw/zinc/47/91/12/591479112.db2.gz UFJMXAZAIKNLBA-BZSNNMDCSA-N 2 2 339.443 1.970 20 0 EDADLP Brc1c[nH+]c2n1C[C@H]([NH2+]Cc1cn3cccnc3n1)CC2 ZINC000898721537 591488565 /nfs/dbraw/zinc/48/85/65/591488565.db2.gz TVADKRWIASTHJW-SNVBAGLBSA-N 2 2 347.220 1.793 20 0 EDADLP Brc1c[nH+]ccc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896523215 591492491 /nfs/dbraw/zinc/49/24/91/591492491.db2.gz SKFYPFBJTWSVRR-LBPRGKRZSA-N 2 2 326.238 1.931 20 0 EDADLP Brc1c[nH+]ccc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896523215 591492494 /nfs/dbraw/zinc/49/24/94/591492494.db2.gz SKFYPFBJTWSVRR-LBPRGKRZSA-N 2 2 326.238 1.931 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000898884942 591578656 /nfs/dbraw/zinc/57/86/56/591578656.db2.gz VQYJINVZSNQAID-CQSZACIVSA-N 2 2 342.399 1.691 20 0 EDADLP C[NH+](C)CC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccnc1 ZINC000896716343 591592765 /nfs/dbraw/zinc/59/27/65/591592765.db2.gz HCGUGVALNSKCHM-INIZCTEOSA-N 2 2 325.478 1.489 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000895117017 591596599 /nfs/dbraw/zinc/59/65/99/591596599.db2.gz ZGBHXZCYISXEDP-DDBAPUKQSA-N 2 2 336.501 1.745 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000895117017 591596601 /nfs/dbraw/zinc/59/66/01/591596601.db2.gz ZGBHXZCYISXEDP-DDBAPUKQSA-N 2 2 336.501 1.745 20 0 EDADLP CC(=O)c1cncc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000896989948 591702546 /nfs/dbraw/zinc/70/25/46/591702546.db2.gz XYSAPOYVVQTJJV-SFHVURJKSA-N 2 2 344.459 1.525 20 0 EDADLP CC(=O)c1cncc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000896989948 591702549 /nfs/dbraw/zinc/70/25/49/591702549.db2.gz XYSAPOYVVQTJJV-SFHVURJKSA-N 2 2 344.459 1.525 20 0 EDADLP CC(C)Cn1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000896989094 591706429 /nfs/dbraw/zinc/70/64/29/591706429.db2.gz NUYOWDZRRQIAGZ-QGZVFWFLSA-N 2 2 347.507 1.780 20 0 EDADLP CC(C)Cn1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000896989094 591706434 /nfs/dbraw/zinc/70/64/34/591706434.db2.gz NUYOWDZRRQIAGZ-QGZVFWFLSA-N 2 2 347.507 1.780 20 0 EDADLP CCO[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C[NH+](C)C ZINC000899261129 591753019 /nfs/dbraw/zinc/75/30/19/591753019.db2.gz AFPUPJSVNPXADW-AWEZNQCLSA-N 3 2 341.419 1.589 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c[nH+]1 ZINC000897171996 591758319 /nfs/dbraw/zinc/75/83/19/591758319.db2.gz SEFPPMUMKBNNAR-UHFFFAOYSA-N 2 2 336.480 1.743 20 0 EDADLP O=C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)N1CCc2ccccc21 ZINC000895487411 591773975 /nfs/dbraw/zinc/77/39/75/591773975.db2.gz FWTXTCXBYWGPER-QGZVFWFLSA-N 2 2 329.444 1.419 20 0 EDADLP COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000897228834 591779224 /nfs/dbraw/zinc/77/92/24/591779224.db2.gz PJSICQQSRXIXKC-QGZVFWFLSA-N 2 2 348.443 1.581 20 0 EDADLP COC(=O)COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000897228834 591779226 /nfs/dbraw/zinc/77/92/26/591779226.db2.gz PJSICQQSRXIXKC-QGZVFWFLSA-N 2 2 348.443 1.581 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)sc2C1 ZINC000895586063 591810444 /nfs/dbraw/zinc/81/04/44/591810444.db2.gz QTOOULWPHJVQHU-GFCCVEGCSA-N 2 2 336.461 1.180 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)sc2C1 ZINC000895586063 591810446 /nfs/dbraw/zinc/81/04/46/591810446.db2.gz QTOOULWPHJVQHU-GFCCVEGCSA-N 2 2 336.461 1.180 20 0 EDADLP COC(=O)[C@@H](CC1CCOCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000895592554 591817545 /nfs/dbraw/zinc/81/75/45/591817545.db2.gz USMYOMLJUULCJX-QGZVFWFLSA-N 2 2 347.459 1.998 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000900019710 591870458 /nfs/dbraw/zinc/87/04/58/591870458.db2.gz FMLGWUGKTJIEDX-UHFFFAOYSA-N 2 2 337.431 1.442 20 0 EDADLP C[C@@H]1CC[N@H+](Cn2nnc(-c3cscn3)n2)C[C@H]1n1cc[nH+]c1 ZINC000902182657 591933928 /nfs/dbraw/zinc/93/39/28/591933928.db2.gz LQXJOFINEYWZKS-DGCLKSJQSA-N 2 2 330.421 1.534 20 0 EDADLP C[C@@H]1CC[N@@H+](Cn2nnc(-c3cscn3)n2)C[C@H]1n1cc[nH+]c1 ZINC000902182657 591933930 /nfs/dbraw/zinc/93/39/30/591933930.db2.gz LQXJOFINEYWZKS-DGCLKSJQSA-N 2 2 330.421 1.534 20 0 EDADLP C[C@H]1CC[N@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000902183082 591934064 /nfs/dbraw/zinc/93/40/64/591934064.db2.gz NZFQNADVASDENN-CAOSSQGBSA-N 2 2 328.416 1.675 20 0 EDADLP C[C@H]1CC[N@@H+](CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000902183082 591934067 /nfs/dbraw/zinc/93/40/67/591934067.db2.gz NZFQNADVASDENN-CAOSSQGBSA-N 2 2 328.416 1.675 20 0 EDADLP CCn1cc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)nn1 ZINC000899885517 591971802 /nfs/dbraw/zinc/97/18/02/591971802.db2.gz DANJZKCSFKATEF-SFHVURJKSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)nn1 ZINC000899885517 591971804 /nfs/dbraw/zinc/97/18/04/591971804.db2.gz DANJZKCSFKATEF-SFHVURJKSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)nn1 ZINC000899885517 591971805 /nfs/dbraw/zinc/97/18/05/591971805.db2.gz DANJZKCSFKATEF-SFHVURJKSA-N 2 2 344.463 1.798 20 0 EDADLP CCn1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)nn1 ZINC000899885517 591971807 /nfs/dbraw/zinc/97/18/07/591971807.db2.gz DANJZKCSFKATEF-SFHVURJKSA-N 2 2 344.463 1.798 20 0 EDADLP C[NH+]1CCC2(CC[N@@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000899910121 591979683 /nfs/dbraw/zinc/97/96/83/591979683.db2.gz JXNQFVRXSKRDBV-FQEVSTJZSA-N 3 2 329.488 1.794 20 0 EDADLP C[NH+]1CCC2(CC[N@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000899910121 591979686 /nfs/dbraw/zinc/97/96/86/591979686.db2.gz JXNQFVRXSKRDBV-FQEVSTJZSA-N 3 2 329.488 1.794 20 0 EDADLP C[NH+]1CCC2(CC[NH+]2C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000899910121 591979688 /nfs/dbraw/zinc/97/96/88/591979688.db2.gz JXNQFVRXSKRDBV-FQEVSTJZSA-N 3 2 329.488 1.794 20 0 EDADLP C[NH+]1CCC2(CC[NH+]2C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000899910121 591979691 /nfs/dbraw/zinc/97/96/91/591979691.db2.gz JXNQFVRXSKRDBV-FQEVSTJZSA-N 3 2 329.488 1.794 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000900447878 592020066 /nfs/dbraw/zinc/02/00/66/592020066.db2.gz WSXYSGKFCLWJEU-MRXNPFEDSA-N 2 2 333.480 1.879 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900563086 592053462 /nfs/dbraw/zinc/05/34/62/592053462.db2.gz WIPXVMLCTAWNAR-DLBZAZTESA-N 2 2 347.463 1.171 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900563086 592053464 /nfs/dbraw/zinc/05/34/64/592053464.db2.gz WIPXVMLCTAWNAR-DLBZAZTESA-N 2 2 347.463 1.171 20 0 EDADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cn(C)nn3)CC2)c1 ZINC000902732831 592054066 /nfs/dbraw/zinc/05/40/66/592054066.db2.gz KTKUYGJXQBXEOY-KRWDZBQOSA-N 2 2 342.491 1.986 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[N@@H+]1CCc2ccccc2C1 ZINC000902741462 592055249 /nfs/dbraw/zinc/05/52/49/592055249.db2.gz SDCVNKZUDDYHPM-HQZQWKOLSA-N 2 2 342.483 1.809 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C[N@H+]1CCc2ccccc2C1 ZINC000902741462 592055251 /nfs/dbraw/zinc/05/52/51/592055251.db2.gz SDCVNKZUDDYHPM-HQZQWKOLSA-N 2 2 342.483 1.809 20 0 EDADLP CO[C@@H](Cn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1)c1ccccc1 ZINC000900560039 592059906 /nfs/dbraw/zinc/05/99/06/592059906.db2.gz AGHGQJZJEYPKFW-SFHVURJKSA-N 2 2 329.448 1.850 20 0 EDADLP c1cc(C[NH2+][C@H]2CCO[C@@]23CCOC3)cc(C[NH+]2CCOCC2)c1 ZINC000903072859 592119516 /nfs/dbraw/zinc/11/95/16/592119516.db2.gz LEFVFPGLUNFYRM-RBUKOAKNSA-N 2 2 332.444 1.556 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903092991 592121868 /nfs/dbraw/zinc/12/18/68/592121868.db2.gz OGIOZNSVUJDNDZ-UONOGXRCSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903092991 592121870 /nfs/dbraw/zinc/12/18/70/592121870.db2.gz OGIOZNSVUJDNDZ-UONOGXRCSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883784 592156550 /nfs/dbraw/zinc/15/65/50/592156550.db2.gz SULQLIBHCLLFSJ-XCRHUMRWSA-N 2 2 328.416 1.505 20 0 EDADLP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883784 592156552 /nfs/dbraw/zinc/15/65/52/592156552.db2.gz SULQLIBHCLLFSJ-XCRHUMRWSA-N 2 2 328.416 1.505 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000903428077 592167809 /nfs/dbraw/zinc/16/78/09/592167809.db2.gz CUEJFJYGRPTRLH-DOTOQJQBSA-N 2 2 342.443 1.592 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000903428077 592167812 /nfs/dbraw/zinc/16/78/12/592167812.db2.gz CUEJFJYGRPTRLH-DOTOQJQBSA-N 2 2 342.443 1.592 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)C[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000903459737 592171685 /nfs/dbraw/zinc/17/16/85/592171685.db2.gz YIINJCSEOOWOKB-ZNMIVQPWSA-N 3 2 336.459 1.143 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000903459737 592171687 /nfs/dbraw/zinc/17/16/87/592171687.db2.gz YIINJCSEOOWOKB-ZNMIVQPWSA-N 3 2 336.459 1.143 20 0 EDADLP C[C@@H]1CC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)[C@H](C[NH3+])C1 ZINC000903463901 592172160 /nfs/dbraw/zinc/17/21/60/592172160.db2.gz RJDUBMXCSITYAV-CABCVRRESA-N 2 2 345.443 1.358 20 0 EDADLP C[C@@H]1CC[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)[C@H](C[NH3+])C1 ZINC000903463901 592172162 /nfs/dbraw/zinc/17/21/62/592172162.db2.gz RJDUBMXCSITYAV-CABCVRRESA-N 2 2 345.443 1.358 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903469843 592175425 /nfs/dbraw/zinc/17/54/25/592175425.db2.gz YIAPHCWAKXHZJW-KRWDZBQOSA-N 2 2 347.459 1.455 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903486265 592176161 /nfs/dbraw/zinc/17/61/61/592176161.db2.gz UCCPFFULDNXBPM-IXDOHACOSA-N 2 2 337.508 1.962 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000900933257 592177730 /nfs/dbraw/zinc/17/77/30/592177730.db2.gz MQSAIHZVITZOHE-CQSZACIVSA-N 2 2 334.464 1.597 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000907966232 592239921 /nfs/dbraw/zinc/23/99/21/592239921.db2.gz AJJYLOYRSJOBDV-UHFFFAOYSA-N 2 2 342.447 1.111 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(N)nn2)[C@@H]1c1cnn(C)c1 ZINC000904377816 592245420 /nfs/dbraw/zinc/24/54/20/592245420.db2.gz ZEOMHRSRRYGAOD-KBXCAEBGSA-N 2 2 343.479 1.697 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(N)nn2)[C@@H]1c1cnn(C)c1 ZINC000904377816 592245421 /nfs/dbraw/zinc/24/54/21/592245421.db2.gz ZEOMHRSRRYGAOD-KBXCAEBGSA-N 2 2 343.479 1.697 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(N)nn2)[C@@H]1c1cnn(C)c1 ZINC000904377816 592245427 /nfs/dbraw/zinc/24/54/27/592245427.db2.gz ZEOMHRSRRYGAOD-KBXCAEBGSA-N 2 2 343.479 1.697 20 0 EDADLP Cc1[nH+]cc(CN2C[C@@H](c3cn(C)cn3)[C@H]([NH3+])C2)n1-c1ccccc1 ZINC000904494353 592266808 /nfs/dbraw/zinc/26/68/08/592266808.db2.gz HMMRFHHYIQZUDI-QZTJIDSGSA-N 2 2 336.443 1.841 20 0 EDADLP C[N@@H+](Cc1cnn(-c2ccccc2)n1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722190 592283046 /nfs/dbraw/zinc/28/30/46/592283046.db2.gz ILBCOJHXISFWMQ-ZWKOTPCHSA-N 2 2 327.432 1.468 20 0 EDADLP C[N@H+](Cc1cnn(-c2ccccc2)n1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903722190 592283052 /nfs/dbraw/zinc/28/30/52/592283052.db2.gz ILBCOJHXISFWMQ-ZWKOTPCHSA-N 2 2 327.432 1.468 20 0 EDADLP Cn1ccnc1C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@@H]1CC12CC[NH2+]CC2 ZINC000903746484 592293152 /nfs/dbraw/zinc/29/31/52/592293152.db2.gz ZGMLBPBGWYWYKK-YYIAUSFCSA-N 2 2 346.475 1.168 20 0 EDADLP Cn1ccnc1C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@@H]1CC12CC[NH2+]CC2 ZINC000903746484 592293156 /nfs/dbraw/zinc/29/31/56/592293156.db2.gz ZGMLBPBGWYWYKK-YYIAUSFCSA-N 2 2 346.475 1.168 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)nc1 ZINC000903752347 592295522 /nfs/dbraw/zinc/29/55/22/592295522.db2.gz NBZNUZPCAIEFHR-MRXNPFEDSA-N 2 2 346.475 1.770 20 0 EDADLP [NH3+]CCCSCCc1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000904645992 592303144 /nfs/dbraw/zinc/30/31/44/592303144.db2.gz ZXOOEQNSJIHNOK-OLZOCXBDSA-N 2 2 326.466 1.620 20 0 EDADLP [NH3+]CCCSCCc1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000904645992 592303150 /nfs/dbraw/zinc/30/31/50/592303150.db2.gz ZXOOEQNSJIHNOK-OLZOCXBDSA-N 2 2 326.466 1.620 20 0 EDADLP Cc1cccc(CNC(=O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903817681 592325645 /nfs/dbraw/zinc/32/56/45/592325645.db2.gz DGUVWZDSSBUKED-UHFFFAOYSA-N 2 2 331.460 1.456 20 0 EDADLP Cc1cccc(CNC(=O)C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903817681 592325649 /nfs/dbraw/zinc/32/56/49/592325649.db2.gz DGUVWZDSSBUKED-UHFFFAOYSA-N 2 2 331.460 1.456 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CC(=O)Nc2ccc(C)cc2)cnn1C ZINC000903873557 592355752 /nfs/dbraw/zinc/35/57/52/592355752.db2.gz SDBBLUTWIYGPER-INIZCTEOSA-N 2 2 343.475 1.725 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)cnn1C ZINC000903873557 592355758 /nfs/dbraw/zinc/35/57/58/592355758.db2.gz SDBBLUTWIYGPER-INIZCTEOSA-N 2 2 343.475 1.725 20 0 EDADLP CNC(=O)c1ccc(C[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903876946 592358006 /nfs/dbraw/zinc/35/80/06/592358006.db2.gz JBBPQXQFEJGDAM-INIZCTEOSA-N 2 2 342.447 1.194 20 0 EDADLP CNC(=O)c1ccc(C[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903876946 592358012 /nfs/dbraw/zinc/35/80/12/592358012.db2.gz JBBPQXQFEJGDAM-INIZCTEOSA-N 2 2 342.447 1.194 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cnn1C ZINC000903896108 592367499 /nfs/dbraw/zinc/36/74/99/592367499.db2.gz SGUNJVVQEPPXMO-PKOBYXMFSA-N 3 2 333.524 1.796 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cnn1C ZINC000903896108 592367504 /nfs/dbraw/zinc/36/75/04/592367504.db2.gz SGUNJVVQEPPXMO-PKOBYXMFSA-N 3 2 333.524 1.796 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906844248 592367688 /nfs/dbraw/zinc/36/76/88/592367688.db2.gz BINCKFATKCRGKW-QGZVFWFLSA-N 2 2 348.491 1.234 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906844248 592367692 /nfs/dbraw/zinc/36/76/92/592367692.db2.gz BINCKFATKCRGKW-QGZVFWFLSA-N 2 2 348.491 1.234 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906875888 592378899 /nfs/dbraw/zinc/37/88/99/592378899.db2.gz RKPOCRLZKWCDNI-UHFFFAOYSA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)ccc1F ZINC000903925978 592380245 /nfs/dbraw/zinc/38/02/45/592380245.db2.gz QJBCPXOUNVYMRX-MRXNPFEDSA-N 3 2 346.454 1.693 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[C@]2(O)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000905160320 592426738 /nfs/dbraw/zinc/42/67/38/592426738.db2.gz RLBMIJGYMYEQCD-QXCFHYIPSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[C@]2(O)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000905160320 592426742 /nfs/dbraw/zinc/42/67/42/592426742.db2.gz RLBMIJGYMYEQCD-QXCFHYIPSA-N 2 2 334.460 1.141 20 0 EDADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000904301133 592471562 /nfs/dbraw/zinc/47/15/62/592471562.db2.gz HPEUCSAVSZZNOP-IXDOHACOSA-N 3 2 338.540 1.720 20 0 EDADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000904301133 592471559 /nfs/dbraw/zinc/47/15/59/592471559.db2.gz HPEUCSAVSZZNOP-IXDOHACOSA-N 3 2 338.540 1.720 20 0 EDADLP C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)c2cc(F)ccc2C[NH2+]1 ZINC000905345443 592501340 /nfs/dbraw/zinc/50/13/40/592501340.db2.gz WXUXRRUKQZHSOZ-LBPRGKRZSA-N 2 2 341.452 1.453 20 0 EDADLP O[C@@H](CCC1(O)CCC1)C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000905345198 592501429 /nfs/dbraw/zinc/50/14/29/592501429.db2.gz MDNBLIZGUOOIFL-OALUTQOASA-N 2 2 348.487 1.051 20 0 EDADLP O[C@@H](CCC1(O)CCC1)C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000905345198 592501431 /nfs/dbraw/zinc/50/14/31/592501431.db2.gz MDNBLIZGUOOIFL-OALUTQOASA-N 2 2 348.487 1.051 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410223 592524193 /nfs/dbraw/zinc/52/41/93/592524193.db2.gz UJUROCPEHKBSDJ-DLBZAZTESA-N 2 2 326.481 1.276 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410223 592524194 /nfs/dbraw/zinc/52/41/94/592524194.db2.gz UJUROCPEHKBSDJ-DLBZAZTESA-N 2 2 326.481 1.276 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)ccc21 ZINC000908535858 592528326 /nfs/dbraw/zinc/52/83/26/592528326.db2.gz ZMQPGXLFWFMZLS-RDTXWAMCSA-N 2 2 328.416 1.694 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)ccc21 ZINC000908535858 592528327 /nfs/dbraw/zinc/52/83/27/592528327.db2.gz ZMQPGXLFWFMZLS-RDTXWAMCSA-N 2 2 328.416 1.694 20 0 EDADLP CC(C)(C)n1ncc2c1nc(NC[C@H]1C[NH2+]CCC1(F)F)[nH+]c2N ZINC000905676197 592609005 /nfs/dbraw/zinc/60/90/05/592609005.db2.gz PCTCVMKXCZDJDE-SECBINFHSA-N 2 2 339.394 1.820 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)nc[nH+]2)C1 ZINC000905710916 592619575 /nfs/dbraw/zinc/61/95/75/592619575.db2.gz PWXNZWWBQAHHMD-DDHJBXDOSA-N 2 2 345.369 1.010 20 0 EDADLP CCCCNc1cc(N[C@H]2C[NH2+]CC3(CCOCC3)C2)nc(N)[nH+]1 ZINC000905695604 592625693 /nfs/dbraw/zinc/62/56/93/592625693.db2.gz RMROAJVQABIIBV-CYBMUJFWSA-N 2 2 334.468 1.841 20 0 EDADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C[C@]1(O)CCOC1 ZINC000905919137 592682715 /nfs/dbraw/zinc/68/27/15/592682715.db2.gz MCCYWAWFJAOYMG-WMLDXEAASA-N 2 2 335.379 1.003 20 0 EDADLP c1nc(Cn2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nn2)no1 ZINC000906281950 592773821 /nfs/dbraw/zinc/77/38/21/592773821.db2.gz WYFBRKUNORKDEA-XJKSGUPXSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)nn2)no1 ZINC000906281950 592773823 /nfs/dbraw/zinc/77/38/23/592773823.db2.gz WYFBRKUNORKDEA-XJKSGUPXSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nn2)no1 ZINC000906281950 592773824 /nfs/dbraw/zinc/77/38/24/592773824.db2.gz WYFBRKUNORKDEA-XJKSGUPXSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nn2)no1 ZINC000906281950 592773826 /nfs/dbraw/zinc/77/38/26/592773826.db2.gz WYFBRKUNORKDEA-XJKSGUPXSA-N 2 2 343.435 1.158 20 0 EDADLP CCOC[C@@H](O)C[NH+]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000906599288 592861537 /nfs/dbraw/zinc/86/15/37/592861537.db2.gz LZIFIXKTZIWTNT-INIZCTEOSA-N 2 2 335.448 1.162 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911530095 592935263 /nfs/dbraw/zinc/93/52/63/592935263.db2.gz WWGPCYFERHUSOG-UONOGXRCSA-N 2 2 347.463 1.071 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000911880093 593029889 /nfs/dbraw/zinc/02/98/89/593029889.db2.gz QWMJQKJIBHFKBA-AEGPPILISA-N 2 2 339.386 1.493 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000911880093 593029891 /nfs/dbraw/zinc/02/98/91/593029891.db2.gz QWMJQKJIBHFKBA-AEGPPILISA-N 2 2 339.386 1.493 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CO[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000912136881 593065233 /nfs/dbraw/zinc/06/52/33/593065233.db2.gz XOPYUUFQZLWEPX-NWANDNLSSA-N 2 2 348.834 1.643 20 0 EDADLP O=C(N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC000912303593 593085149 /nfs/dbraw/zinc/08/51/49/593085149.db2.gz KLZUZAATHVXXKO-MSOLQXFVSA-N 2 2 341.455 1.194 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000912425613 593096178 /nfs/dbraw/zinc/09/61/78/593096178.db2.gz HOYQOKFNBRTWJF-UHFFFAOYSA-N 2 2 334.807 1.037 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(=O)OC)o1 ZINC000807281113 593159658 /nfs/dbraw/zinc/15/96/58/593159658.db2.gz OFVDBJUGPGOFLG-CQSZACIVSA-N 2 2 348.403 1.290 20 0 EDADLP CC[C@]1(C)CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000808173283 593233977 /nfs/dbraw/zinc/23/39/77/593233977.db2.gz FDUDZZIKYVLQFX-NHJHPMQKSA-N 2 2 348.535 1.835 20 0 EDADLP CC[C@]1(C)CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000808173283 593233980 /nfs/dbraw/zinc/23/39/80/593233980.db2.gz FDUDZZIKYVLQFX-NHJHPMQKSA-N 2 2 348.535 1.835 20 0 EDADLP C[C@H]1C[NH+](CCC[NH2+]Cc2cnc(C3OCCO3)s2)C[C@H](C)O1 ZINC000809602930 593349398 /nfs/dbraw/zinc/34/93/98/593349398.db2.gz DMPIGICATIBDSU-STQMWFEESA-N 2 2 341.477 1.777 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CN3C[C@H](C)[C@H](C)C3=O)CC2)CC1 ZINC000840031524 593395580 /nfs/dbraw/zinc/39/55/80/593395580.db2.gz QXXCPEXGRBTQTF-IRXDYDNUSA-N 2 2 336.524 1.549 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000758224370 593397139 /nfs/dbraw/zinc/39/71/39/593397139.db2.gz RJHPBFZFSHODHF-RHSMWYFYSA-N 2 2 331.420 1.588 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000758224370 593397142 /nfs/dbraw/zinc/39/71/42/593397142.db2.gz RJHPBFZFSHODHF-RHSMWYFYSA-N 2 2 331.420 1.588 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000811856782 593484480 /nfs/dbraw/zinc/48/44/80/593484480.db2.gz RNJOOIHXYUEHCQ-CQSZACIVSA-N 2 2 330.436 1.795 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000811856782 593484481 /nfs/dbraw/zinc/48/44/81/593484481.db2.gz RNJOOIHXYUEHCQ-CQSZACIVSA-N 2 2 330.436 1.795 20 0 EDADLP CN(C(=O)NOC/C=C/Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000812705641 593507615 /nfs/dbraw/zinc/50/76/15/593507615.db2.gz CSUARZXOOKMTDK-UFZAZABTSA-N 2 2 330.860 1.480 20 0 EDADLP CN(C(=O)NOC/C=C/Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000812705641 593507616 /nfs/dbraw/zinc/50/76/16/593507616.db2.gz CSUARZXOOKMTDK-UFZAZABTSA-N 2 2 330.860 1.480 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)C1CC[NH+](C2CC2)CC1 ZINC000816568396 593532282 /nfs/dbraw/zinc/53/22/82/593532282.db2.gz FPEWKINXCKSQAL-AWEZNQCLSA-N 2 2 347.463 1.272 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)C1CC[NH+](C2CC2)CC1 ZINC000816568396 593532283 /nfs/dbraw/zinc/53/22/83/593532283.db2.gz FPEWKINXCKSQAL-AWEZNQCLSA-N 2 2 347.463 1.272 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000816896201 593556076 /nfs/dbraw/zinc/55/60/76/593556076.db2.gz DWBTWKHJXKYAMD-OAHLLOKOSA-N 2 2 336.399 1.651 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815640965 593645194 /nfs/dbraw/zinc/64/51/94/593645194.db2.gz LOCHHWOUMBRADM-QAPCUYQASA-N 2 2 328.464 1.643 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815640965 593645195 /nfs/dbraw/zinc/64/51/95/593645195.db2.gz LOCHHWOUMBRADM-QAPCUYQASA-N 2 2 328.464 1.643 20 0 EDADLP Cc1ccc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(N(C)C)[nH+]1 ZINC000818633806 593709284 /nfs/dbraw/zinc/70/92/84/593709284.db2.gz WNDMUWKHACWMNC-UONOGXRCSA-N 2 2 343.435 1.148 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000820147057 593795401 /nfs/dbraw/zinc/79/54/01/593795401.db2.gz YSJYQPNIHPLACG-UHFFFAOYSA-N 2 2 334.424 1.439 20 0 EDADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC000823762457 593853316 /nfs/dbraw/zinc/85/33/16/593853316.db2.gz POGSVSPZSGBEJY-CQSZACIVSA-N 2 2 339.403 1.848 20 0 EDADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC000823762457 593853318 /nfs/dbraw/zinc/85/33/18/593853318.db2.gz POGSVSPZSGBEJY-CQSZACIVSA-N 2 2 339.403 1.848 20 0 EDADLP Fc1c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccnc1Cl ZINC000823847922 593872199 /nfs/dbraw/zinc/87/21/99/593872199.db2.gz NWWKUAFPQFWTOV-AWEZNQCLSA-N 2 2 342.846 1.370 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821601330 593876709 /nfs/dbraw/zinc/87/67/09/593876709.db2.gz BOWXVJBXNBEPGK-UHFFFAOYSA-N 2 2 327.392 1.464 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000821601330 593876711 /nfs/dbraw/zinc/87/67/11/593876711.db2.gz BOWXVJBXNBEPGK-UHFFFAOYSA-N 2 2 327.392 1.464 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000820807962 593894974 /nfs/dbraw/zinc/89/49/74/593894974.db2.gz UZQCNFMABNLWMP-PJODQICGSA-N 2 2 328.416 1.494 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000820807962 593894979 /nfs/dbraw/zinc/89/49/79/593894979.db2.gz UZQCNFMABNLWMP-PJODQICGSA-N 2 2 328.416 1.494 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NOCC3CCC3)CC2)CC1 ZINC000824112673 593932400 /nfs/dbraw/zinc/93/24/00/593932400.db2.gz XMQJORNTUBLYBL-UHFFFAOYSA-N 2 2 338.496 1.920 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NOCC3CCC3)CC2)CC1 ZINC000824112673 593932403 /nfs/dbraw/zinc/93/24/03/593932403.db2.gz XMQJORNTUBLYBL-UHFFFAOYSA-N 2 2 338.496 1.920 20 0 EDADLP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1-c1nn[nH]n1 ZINC000821804292 593943646 /nfs/dbraw/zinc/94/36/46/593943646.db2.gz LANRSTYJHLNOKS-YPMHNXCESA-N 2 2 328.420 1.590 20 0 EDADLP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1-c1nn[nH]n1 ZINC000821804292 593943648 /nfs/dbraw/zinc/94/36/48/593943648.db2.gz LANRSTYJHLNOKS-YPMHNXCESA-N 2 2 328.420 1.590 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)Cc3[nH]cc[nH+]3)cc2Cl)CC1 ZINC000825002872 594114013 /nfs/dbraw/zinc/11/40/13/594114013.db2.gz MMNOMZUDBAWYCL-UHFFFAOYSA-N 2 2 333.823 1.996 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(c2[nH+]ccc(C)c2-c2nn[nH]n2)C1 ZINC000825411686 594181353 /nfs/dbraw/zinc/18/13/53/594181353.db2.gz CDSQWWDHXCSNMX-AWEZNQCLSA-N 2 2 345.451 1.507 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NCc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826044347 594315662 /nfs/dbraw/zinc/31/56/62/594315662.db2.gz DSHBXZBLQHVQIK-UHFFFAOYSA-N 2 2 340.391 1.219 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826551469 594523351 /nfs/dbraw/zinc/52/33/51/594523351.db2.gz MPKWZVQLDCLZNL-GOSISDBHSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826551469 594523352 /nfs/dbraw/zinc/52/33/52/594523352.db2.gz MPKWZVQLDCLZNL-GOSISDBHSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000826555464 594524289 /nfs/dbraw/zinc/52/42/89/594524289.db2.gz BUBSIIMTXRIHSG-SFHVURJKSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000826555464 594524290 /nfs/dbraw/zinc/52/42/90/594524290.db2.gz BUBSIIMTXRIHSG-SFHVURJKSA-N 2 2 342.443 1.668 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)[NH+](C)C ZINC000826563445 594526884 /nfs/dbraw/zinc/52/68/84/594526884.db2.gz GBXKQQYBYMJJRS-ZWKOTPCHSA-N 2 2 333.476 1.652 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)[NH+](C)C ZINC000826563445 594526885 /nfs/dbraw/zinc/52/68/85/594526885.db2.gz GBXKQQYBYMJJRS-ZWKOTPCHSA-N 2 2 333.476 1.652 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1 ZINC000829068670 594561991 /nfs/dbraw/zinc/56/19/91/594561991.db2.gz UESWZPSDWVUOQK-INIZCTEOSA-N 2 2 330.432 1.115 20 0 EDADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000827482518 594676337 /nfs/dbraw/zinc/67/63/37/594676337.db2.gz QAAZLMWUIRFRQD-AWEZNQCLSA-N 2 2 342.399 1.715 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000831726865 594696707 /nfs/dbraw/zinc/69/67/07/594696707.db2.gz GRKYGPNJOGLLHU-JKSUJKDBSA-N 2 2 325.416 1.729 20 0 EDADLP CCO[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C[NH+](C)C ZINC000831745244 594698678 /nfs/dbraw/zinc/69/86/78/594698678.db2.gz SHILARQKNNSWSS-IRXDYDNUSA-N 2 2 334.464 1.129 20 0 EDADLP CCO[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C[NH+](C)C ZINC000831745244 594698679 /nfs/dbraw/zinc/69/86/79/594698679.db2.gz SHILARQKNNSWSS-IRXDYDNUSA-N 2 2 334.464 1.129 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1[nH+]ccn1C ZINC000841667827 594932679 /nfs/dbraw/zinc/93/26/79/594932679.db2.gz FKCNJGQEFZHZLU-BBRMVZONSA-N 2 2 343.431 1.521 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1[nH+]ccn1C ZINC000841671279 594933572 /nfs/dbraw/zinc/93/35/72/594933572.db2.gz XXRRGPDFWHFPJY-GDBMZVCRSA-N 2 2 343.431 1.555 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C1CCCC1 ZINC000841692971 594938377 /nfs/dbraw/zinc/93/83/77/594938377.db2.gz ZOFHASRRRXWDBY-OAHLLOKOSA-N 2 2 328.420 1.584 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@H](C[NH3+])C1 ZINC000841825274 594958476 /nfs/dbraw/zinc/95/84/76/594958476.db2.gz NCTUEHOLEHCNCL-MSOLQXFVSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@H](C[NH3+])C1 ZINC000841825274 594958477 /nfs/dbraw/zinc/95/84/77/594958477.db2.gz NCTUEHOLEHCNCL-MSOLQXFVSA-N 2 2 346.475 1.439 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841837730 594961164 /nfs/dbraw/zinc/96/11/64/594961164.db2.gz GRKKZWWLZNDQHE-AWEZNQCLSA-N 2 2 333.480 1.758 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841837730 594961165 /nfs/dbraw/zinc/96/11/65/594961165.db2.gz GRKKZWWLZNDQHE-AWEZNQCLSA-N 2 2 333.480 1.758 20 0 EDADLP C[NH2+]CCCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000841838334 594961894 /nfs/dbraw/zinc/96/18/94/594961894.db2.gz XTBNZAJNABZAGC-UHFFFAOYSA-N 2 2 333.480 1.630 20 0 EDADLP C[NH2+]CCCNC(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000841838334 594961896 /nfs/dbraw/zinc/96/18/96/594961896.db2.gz XTBNZAJNABZAGC-UHFFFAOYSA-N 2 2 333.480 1.630 20 0 EDADLP Cc1ccc(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000836473491 594966820 /nfs/dbraw/zinc/96/68/20/594966820.db2.gz GXZBATFTCYKLQR-OKILXGFUSA-N 2 2 335.452 1.375 20 0 EDADLP Cc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(N(C)C)[nH+]1 ZINC000836473491 594966823 /nfs/dbraw/zinc/96/68/23/594966823.db2.gz GXZBATFTCYKLQR-OKILXGFUSA-N 2 2 335.452 1.375 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(C3=[NH+]C[C@@H](C)S3)CC1)CC2 ZINC000845638729 595036944 /nfs/dbraw/zinc/03/69/44/595036944.db2.gz MDRUOZHZKFSWCS-TZMCWYRMSA-N 2 2 347.488 1.389 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(C3=[NH+]C[C@@H](C)S3)CC1)CC2 ZINC000845638728 595037257 /nfs/dbraw/zinc/03/72/57/595037257.db2.gz MDRUOZHZKFSWCS-OCCSQVGLSA-N 2 2 347.488 1.389 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=S)NCC3CC[NH+](C)CC3)cn21 ZINC000843287152 595062200 /nfs/dbraw/zinc/06/22/00/595062200.db2.gz RLFNEUNWBJTJDY-UHFFFAOYSA-N 2 2 345.516 1.991 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[NH2+]c2ccc(OCC[NH3+])cc2)C1 ZINC000843365583 595089175 /nfs/dbraw/zinc/08/91/75/595089175.db2.gz GIRHFUGLSRIIHT-CYBMUJFWSA-N 2 2 327.450 1.108 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842475682 595115049 /nfs/dbraw/zinc/11/50/49/595115049.db2.gz AGRAMMLUCKYAOU-USXUVBGUSA-N 2 2 331.420 1.572 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)c1ccccn1)C[N@@H+]1CCc2ccccc2C1 ZINC000843094348 595286300 /nfs/dbraw/zinc/28/63/00/595286300.db2.gz JHQSBYNUOFUWKE-IEBWSBKVSA-N 2 2 327.428 1.124 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)c1ccccn1)C[N@H+]1CCc2ccccc2C1 ZINC000843094348 595286302 /nfs/dbraw/zinc/28/63/02/595286302.db2.gz JHQSBYNUOFUWKE-IEBWSBKVSA-N 2 2 327.428 1.124 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843095322 595286485 /nfs/dbraw/zinc/28/64/85/595286485.db2.gz NGFBGLGYEXCMLW-CQSZACIVSA-N 2 2 331.254 1.386 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000843095322 595286487 /nfs/dbraw/zinc/28/64/87/595286487.db2.gz NGFBGLGYEXCMLW-CQSZACIVSA-N 2 2 331.254 1.386 20 0 EDADLP [NH3+]C1CCN(c2ccc(-c3noc(CCn4cc[nH+]c4)n3)cn2)CC1 ZINC000843147990 595296150 /nfs/dbraw/zinc/29/61/50/595296150.db2.gz QJKBAXYPUYPCFI-UHFFFAOYSA-N 2 2 339.403 1.498 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000846674072 595298489 /nfs/dbraw/zinc/29/84/89/595298489.db2.gz ZCFFDXWKLGZAGG-NWDGAFQWSA-N 2 2 334.247 1.422 20 0 EDADLP CC(=O)c1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c(F)c1 ZINC000844220925 595306114 /nfs/dbraw/zinc/30/61/14/595306114.db2.gz QIQZHGWVWDAQCA-UHFFFAOYSA-N 2 2 334.439 1.056 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000846814902 595320115 /nfs/dbraw/zinc/32/01/15/595320115.db2.gz WMTXYISVXLNYNG-HRCADAONSA-N 2 2 342.505 1.575 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000846814902 595320116 /nfs/dbraw/zinc/32/01/16/595320116.db2.gz WMTXYISVXLNYNG-HRCADAONSA-N 2 2 342.505 1.575 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000846814902 595320118 /nfs/dbraw/zinc/32/01/18/595320118.db2.gz WMTXYISVXLNYNG-HRCADAONSA-N 2 2 342.505 1.575 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000846814902 595320120 /nfs/dbraw/zinc/32/01/20/595320120.db2.gz WMTXYISVXLNYNG-HRCADAONSA-N 2 2 342.505 1.575 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[N@H+](C)CC1CC[NH+](C)CC1)C2=O ZINC000844692465 595374322 /nfs/dbraw/zinc/37/43/22/595374322.db2.gz ZVFAZEUPTACUKC-UHFFFAOYSA-N 2 2 331.416 1.522 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[N@@H+](C)CC1CC[NH+](C)CC1)C2=O ZINC000844692465 595374324 /nfs/dbraw/zinc/37/43/24/595374324.db2.gz ZVFAZEUPTACUKC-UHFFFAOYSA-N 2 2 331.416 1.522 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[N@H+](C)CCCn1cc[nH+]c1)C2=O ZINC000844697183 595376316 /nfs/dbraw/zinc/37/63/16/595376316.db2.gz IYQGOVNNFKTYCQ-UHFFFAOYSA-N 2 2 328.372 1.467 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[N@@H+](C)CCCn1cc[nH+]c1)C2=O ZINC000844697183 595376319 /nfs/dbraw/zinc/37/63/19/595376319.db2.gz IYQGOVNNFKTYCQ-UHFFFAOYSA-N 2 2 328.372 1.467 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000848531987 595403021 /nfs/dbraw/zinc/40/30/21/595403021.db2.gz YNYNIJMQYAQJMN-HOTGVXAUSA-N 2 2 339.480 1.839 20 0 EDADLP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000849093810 595480630 /nfs/dbraw/zinc/48/06/30/595480630.db2.gz KFLRWQRPSNADPR-DLBZAZTESA-N 2 2 345.491 1.442 20 0 EDADLP C[C@H](Cc1ccccc1)NC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849280200 595500389 /nfs/dbraw/zinc/50/03/89/595500389.db2.gz QJBCMYNKLVPGER-MRXNPFEDSA-N 2 2 336.549 1.965 20 0 EDADLP C[C@H](Cc1ccccc1)NC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849280200 595500390 /nfs/dbraw/zinc/50/03/90/595500390.db2.gz QJBCMYNKLVPGER-MRXNPFEDSA-N 2 2 336.549 1.965 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3=NO[C@H](C[NH3+])C3)n2)C1 ZINC000852855044 595577327 /nfs/dbraw/zinc/57/73/27/595577327.db2.gz UTTJZNHIUBJFKQ-PWSUYJOCSA-N 2 2 337.449 1.417 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3=NO[C@H](C[NH3+])C3)n2)C1 ZINC000852855044 595577329 /nfs/dbraw/zinc/57/73/29/595577329.db2.gz UTTJZNHIUBJFKQ-PWSUYJOCSA-N 2 2 337.449 1.417 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C=C3CC[NH2+]CC3)c[nH+]2)CCO1 ZINC000852857858 595578717 /nfs/dbraw/zinc/57/87/17/595578717.db2.gz IIHIQUIMZVVHEP-AWEZNQCLSA-N 2 2 330.432 1.233 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC2)s1 ZINC000852864798 595584679 /nfs/dbraw/zinc/58/46/79/595584679.db2.gz IHTIBWHOJOTPGN-GFCCVEGCSA-N 2 2 336.461 1.058 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000857987591 595679263 /nfs/dbraw/zinc/67/92/63/595679263.db2.gz WFDQZKDDRLUWFY-DOTOQJQBSA-N 2 2 326.400 1.345 20 0 EDADLP O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000857987591 595679266 /nfs/dbraw/zinc/67/92/66/595679266.db2.gz WFDQZKDDRLUWFY-DOTOQJQBSA-N 2 2 326.400 1.345 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046035 595689299 /nfs/dbraw/zinc/68/92/99/595689299.db2.gz GCPWRPKNFRZWIL-ZWKOTPCHSA-N 2 2 331.460 1.869 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046035 595689306 /nfs/dbraw/zinc/68/93/06/595689306.db2.gz GCPWRPKNFRZWIL-ZWKOTPCHSA-N 2 2 331.460 1.869 20 0 EDADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C(F)(F)F)n1 ZINC000855416352 595705450 /nfs/dbraw/zinc/70/54/50/595705450.db2.gz LWZILASESJEOJM-UHFFFAOYSA-N 2 2 335.374 1.052 20 0 EDADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C(F)(F)F)n1 ZINC000855416352 595705451 /nfs/dbraw/zinc/70/54/51/595705451.db2.gz LWZILASESJEOJM-UHFFFAOYSA-N 2 2 335.374 1.052 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccns1 ZINC000858237562 595739718 /nfs/dbraw/zinc/73/97/18/595739718.db2.gz CKKQCOMWCKQMBL-QWHCGFSZSA-N 2 2 337.493 1.672 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccns1 ZINC000858237562 595739721 /nfs/dbraw/zinc/73/97/21/595739721.db2.gz CKKQCOMWCKQMBL-QWHCGFSZSA-N 2 2 337.493 1.672 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)n1C ZINC000850134543 595750342 /nfs/dbraw/zinc/75/03/42/595750342.db2.gz CSOAYXDAMRRNPU-UHFFFAOYSA-N 2 2 336.408 1.083 20 0 EDADLP O=C(C[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1)NC1CCCCC1 ZINC000858390213 595782956 /nfs/dbraw/zinc/78/29/56/595782956.db2.gz CBXLEROPZDMYOA-UHFFFAOYSA-N 2 2 332.448 1.145 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)n1C ZINC000850420316 595831394 /nfs/dbraw/zinc/83/13/94/595831394.db2.gz NACXSWAGNBKSKL-ZDUSSCGKSA-N 2 2 328.338 1.727 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000858601064 595839227 /nfs/dbraw/zinc/83/92/27/595839227.db2.gz BCOJLOWVPPNZDW-RDBSUJKOSA-N 2 2 334.407 1.400 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000858601064 595839231 /nfs/dbraw/zinc/83/92/31/595839231.db2.gz BCOJLOWVPPNZDW-RDBSUJKOSA-N 2 2 334.407 1.400 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000851868818 595954674 /nfs/dbraw/zinc/95/46/74/595954674.db2.gz VOGRCSIJRAYHFI-SNVBAGLBSA-N 2 2 325.214 1.264 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000851868818 595954679 /nfs/dbraw/zinc/95/46/79/595954679.db2.gz VOGRCSIJRAYHFI-SNVBAGLBSA-N 2 2 325.214 1.264 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000851898123 595967237 /nfs/dbraw/zinc/96/72/37/595967237.db2.gz NOMKXYGWHSLOEZ-YOEHRIQHSA-N 2 2 335.448 1.995 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000851898123 595967240 /nfs/dbraw/zinc/96/72/40/595967240.db2.gz NOMKXYGWHSLOEZ-YOEHRIQHSA-N 2 2 335.448 1.995 20 0 EDADLP CC[C@H]([NH2+]C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000854146704 595989434 /nfs/dbraw/zinc/98/94/34/595989434.db2.gz CPTPXTSRZYZQBG-ZDUSSCGKSA-N 2 2 344.419 1.190 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018999 596009812 /nfs/dbraw/zinc/00/98/12/596009812.db2.gz SEGXDEITAXXUBO-QAPCUYQASA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018999 596009817 /nfs/dbraw/zinc/00/98/17/596009817.db2.gz SEGXDEITAXXUBO-QAPCUYQASA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018999 596009821 /nfs/dbraw/zinc/00/98/21/596009821.db2.gz SEGXDEITAXXUBO-QAPCUYQASA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018999 596009823 /nfs/dbraw/zinc/00/98/23/596009823.db2.gz SEGXDEITAXXUBO-QAPCUYQASA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnn(C)n3)C2)ccn1 ZINC000856559615 596018180 /nfs/dbraw/zinc/01/81/80/596018180.db2.gz RHMPWHCUTWVCQW-GOSISDBHSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnn(C)n3)C2)ccn1 ZINC000856559615 596018185 /nfs/dbraw/zinc/01/81/85/596018185.db2.gz RHMPWHCUTWVCQW-GOSISDBHSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnn(C)n3)C2)ccn1 ZINC000856559615 596018186 /nfs/dbraw/zinc/01/81/86/596018186.db2.gz RHMPWHCUTWVCQW-GOSISDBHSA-N 2 2 344.463 1.704 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C2)ccn1 ZINC000856559615 596018190 /nfs/dbraw/zinc/01/81/90/596018190.db2.gz RHMPWHCUTWVCQW-GOSISDBHSA-N 2 2 344.463 1.704 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1[nH+]ccn1C ZINC000861550253 596026241 /nfs/dbraw/zinc/02/62/41/596026241.db2.gz CZHKLXRCIMEZOJ-BJJXKVORSA-N 2 2 343.431 1.568 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC[C@H]1C(F)(F)F ZINC000861635702 596053796 /nfs/dbraw/zinc/05/37/96/596053796.db2.gz RVHXJKQFKJKIKC-GMTAPVOTSA-N 2 2 331.342 1.497 20 0 EDADLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000852740705 596237021 /nfs/dbraw/zinc/23/70/21/596237021.db2.gz KJTAUENZKUCJPL-UHFFFAOYSA-N 2 2 326.828 1.503 20 0 EDADLP O[C@H](C[C@@H]1COCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1)c1cccs1 ZINC000852746985 596237696 /nfs/dbraw/zinc/23/76/96/596237696.db2.gz WFTITVFOIGZLPS-QLFBSQMISA-N 2 2 338.473 1.393 20 0 EDADLP O[C@H](C[C@@H]1COCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1)c1cccs1 ZINC000852746985 596237697 /nfs/dbraw/zinc/23/76/97/596237697.db2.gz WFTITVFOIGZLPS-QLFBSQMISA-N 2 2 338.473 1.393 20 0 EDADLP C[NH+](C)C1CCC2(CC1)CCN(C(=O)/C=C\C[NH+]1CCOCC1)CC2 ZINC000868607568 596245253 /nfs/dbraw/zinc/24/52/53/596245253.db2.gz YWVFAQBGELPQMF-ARJAWSKDSA-N 2 2 349.519 1.988 20 0 EDADLP Cc1nc2[nH]ccc2c(N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)[nH+]1 ZINC000864563510 596266034 /nfs/dbraw/zinc/26/60/34/596266034.db2.gz GQMXZAVDOKMMOR-KGLIPLIRSA-N 2 2 342.403 1.028 20 0 EDADLP CC[N@H+](CC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1)C1CC1 ZINC000870535373 596274490 /nfs/dbraw/zinc/27/44/90/596274490.db2.gz CWYJBHACUJLSDA-IAGOWNOFSA-N 2 2 344.459 1.502 20 0 EDADLP CC[N@@H+](CC(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1)C1CC1 ZINC000870535373 596274491 /nfs/dbraw/zinc/27/44/91/596274491.db2.gz CWYJBHACUJLSDA-IAGOWNOFSA-N 2 2 344.459 1.502 20 0 EDADLP NC(=O)c1ccc(CC[N@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1 ZINC000866665179 596284088 /nfs/dbraw/zinc/28/40/88/596284088.db2.gz ABOYTOIPYPWIPQ-ZWKOTPCHSA-N 2 2 327.403 1.894 20 0 EDADLP NC(=O)c1ccc(CC[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1 ZINC000866665179 596284091 /nfs/dbraw/zinc/28/40/91/596284091.db2.gz ABOYTOIPYPWIPQ-ZWKOTPCHSA-N 2 2 327.403 1.894 20 0 EDADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000862253196 596288011 /nfs/dbraw/zinc/28/80/11/596288011.db2.gz MHNJLLACJHHWMN-XQQFMLRXSA-N 2 2 331.407 1.782 20 0 EDADLP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000862253196 596288013 /nfs/dbraw/zinc/28/80/13/596288013.db2.gz MHNJLLACJHHWMN-XQQFMLRXSA-N 2 2 331.407 1.782 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@](C)(O)c3ccccc3)c2)CC1 ZINC000870664839 596314317 /nfs/dbraw/zinc/31/43/17/596314317.db2.gz ARAFKHHUPJJPAS-IBGZPJMESA-N 2 2 340.427 1.680 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(O)CCSCC3)c2)CC1 ZINC000870666448 596314805 /nfs/dbraw/zinc/31/48/05/596314805.db2.gz FSOBGMCSCXOROX-UHFFFAOYSA-N 2 2 336.461 1.030 20 0 EDADLP C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000864824597 596373192 /nfs/dbraw/zinc/37/31/92/596373192.db2.gz HFFQJGPBHAAYPA-MPNWYJEXSA-N 2 2 349.500 1.499 20 0 EDADLP C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000864824597 596373195 /nfs/dbraw/zinc/37/31/95/596373195.db2.gz HFFQJGPBHAAYPA-MPNWYJEXSA-N 2 2 349.500 1.499 20 0 EDADLP CC(C)[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000864863859 596394683 /nfs/dbraw/zinc/39/46/83/596394683.db2.gz XTFLNXYYGAWTKL-PYTPGESOSA-N 2 2 337.508 1.748 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)c1 ZINC000870978458 596425092 /nfs/dbraw/zinc/42/50/92/596425092.db2.gz VSNVUEMSBHHCAP-KSZLIROESA-N 2 2 331.460 1.439 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)c1 ZINC000870978458 596425094 /nfs/dbraw/zinc/42/50/94/596425094.db2.gz VSNVUEMSBHHCAP-KSZLIROESA-N 2 2 331.460 1.439 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)c3coc(C[NH3+])c3)C2)c1 ZINC000870978000 596425211 /nfs/dbraw/zinc/42/52/11/596425211.db2.gz OPISAFRGEOFDRJ-GOSISDBHSA-N 2 2 343.427 1.678 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3coc(C[NH3+])c3)C2)c1 ZINC000870978000 596425213 /nfs/dbraw/zinc/42/52/13/596425213.db2.gz OPISAFRGEOFDRJ-GOSISDBHSA-N 2 2 343.427 1.678 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000870990233 596431792 /nfs/dbraw/zinc/43/17/92/596431792.db2.gz WIGGIRRQWKHDJV-APWZRJJASA-N 2 2 337.508 1.853 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000870990233 596431794 /nfs/dbraw/zinc/43/17/94/596431794.db2.gz WIGGIRRQWKHDJV-APWZRJJASA-N 2 2 337.508 1.853 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000870992160 596432065 /nfs/dbraw/zinc/43/20/65/596432065.db2.gz MXMPCGONRSSJOZ-KRWDZBQOSA-N 2 2 328.420 1.499 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865130652 596486944 /nfs/dbraw/zinc/48/69/44/596486944.db2.gz TVHRDFMYNPZRSE-SFHVURJKSA-N 2 2 342.443 1.814 20 0 EDADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865130652 596486947 /nfs/dbraw/zinc/48/69/47/596486947.db2.gz TVHRDFMYNPZRSE-SFHVURJKSA-N 2 2 342.443 1.814 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)/C=C\C[NH+]1CCOCC1)[NH+](C)C ZINC000867678985 596492348 /nfs/dbraw/zinc/49/23/48/596492348.db2.gz NIRDGTNOIATLFR-AEZOHHBGSA-N 2 2 345.487 1.991 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000865195676 596510180 /nfs/dbraw/zinc/51/01/80/596510180.db2.gz OISBUDMXHHFCEP-AWEZNQCLSA-N 2 2 334.395 1.243 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000865195676 596510181 /nfs/dbraw/zinc/51/01/81/596510181.db2.gz OISBUDMXHHFCEP-AWEZNQCLSA-N 2 2 334.395 1.243 20 0 EDADLP C[NH+](C)CCNC(=S)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000863239397 596526110 /nfs/dbraw/zinc/52/61/10/596526110.db2.gz CAVCUTQJBGKGJF-UHFFFAOYSA-N 2 2 345.516 1.722 20 0 EDADLP C[C@@H]1C[NH+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C[C@@H](C)C1(F)F ZINC000863273680 596535568 /nfs/dbraw/zinc/53/55/68/596535568.db2.gz LIJLKANFMFVXKG-UPJWGTAASA-N 2 2 326.391 1.917 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3c4c(nc5ncnn53)CCC4)C2)CC1 ZINC000865534541 596603181 /nfs/dbraw/zinc/60/31/81/596603181.db2.gz ACWVQFRSGBLNAM-CYBMUJFWSA-N 2 2 341.463 1.193 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3c4c(nc5ncnn53)CCC4)C2)CC1 ZINC000865534541 596603185 /nfs/dbraw/zinc/60/31/85/596603185.db2.gz ACWVQFRSGBLNAM-CYBMUJFWSA-N 2 2 341.463 1.193 20 0 EDADLP Cn1c2ccc(C[NH2+][C@H]3CC[N@H+](CC(C)(C)O)C3)cc2sc1=O ZINC000865658961 596641076 /nfs/dbraw/zinc/64/10/76/596641076.db2.gz BCPDSVFJAXWXGL-ZDUSSCGKSA-N 2 2 335.473 1.535 20 0 EDADLP Cn1c2ccc(C[NH2+][C@H]3CC[N@@H+](CC(C)(C)O)C3)cc2sc1=O ZINC000865658961 596641079 /nfs/dbraw/zinc/64/10/79/596641079.db2.gz BCPDSVFJAXWXGL-ZDUSSCGKSA-N 2 2 335.473 1.535 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000865727647 596661438 /nfs/dbraw/zinc/66/14/38/596661438.db2.gz DQYHTUUAFPAJSR-BOHSKOPMSA-N 2 2 349.519 1.819 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000865727647 596661439 /nfs/dbraw/zinc/66/14/39/596661439.db2.gz DQYHTUUAFPAJSR-BOHSKOPMSA-N 2 2 349.519 1.819 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)c3ccc4c(c3)[C@@H](C[NH3+])CCC4)cc2C1 ZINC000868037824 596663764 /nfs/dbraw/zinc/66/37/64/596663764.db2.gz XWSYJGAVAYTXEN-OAHLLOKOSA-N 2 2 339.443 1.959 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)c3ccc4c(c3)[C@@H](C[NH3+])CCC4)cc2C1 ZINC000868037824 596663765 /nfs/dbraw/zinc/66/37/65/596663765.db2.gz XWSYJGAVAYTXEN-OAHLLOKOSA-N 2 2 339.443 1.959 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)C1 ZINC000865770397 596676824 /nfs/dbraw/zinc/67/68/24/596676824.db2.gz RHVPSMGZDXAXMX-SZVBFZGTSA-N 2 2 345.443 1.633 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@]23COC(=O)N2CCOC3)C1 ZINC000865770397 596676825 /nfs/dbraw/zinc/67/68/25/596676825.db2.gz RHVPSMGZDXAXMX-SZVBFZGTSA-N 2 2 345.443 1.633 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865861116 596703821 /nfs/dbraw/zinc/70/38/21/596703821.db2.gz NRRPZZBMBPICNL-RBIFJNOUSA-N 2 2 349.519 1.988 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865861116 596703822 /nfs/dbraw/zinc/70/38/22/596703822.db2.gz NRRPZZBMBPICNL-RBIFJNOUSA-N 2 2 349.519 1.988 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)NCc3ccc(CC[NH3+])cc3)cc2C1 ZINC000868203112 596722092 /nfs/dbraw/zinc/72/20/92/596722092.db2.gz BVBFREBDWHBVDU-UHFFFAOYSA-N 2 2 328.420 1.151 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)NCc3ccc(CC[NH3+])cc3)cc2C1 ZINC000868203112 596722093 /nfs/dbraw/zinc/72/20/93/596722093.db2.gz BVBFREBDWHBVDU-UHFFFAOYSA-N 2 2 328.420 1.151 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000868235752 596739654 /nfs/dbraw/zinc/73/96/54/596739654.db2.gz GNYFKWWXMXMANC-KRWDZBQOSA-N 2 2 339.528 1.042 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000868235752 596739657 /nfs/dbraw/zinc/73/96/57/596739657.db2.gz GNYFKWWXMXMANC-KRWDZBQOSA-N 2 2 339.528 1.042 20 0 EDADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000868281797 596762254 /nfs/dbraw/zinc/76/22/54/596762254.db2.gz PGURUGMCABXWFY-IEBWSBKVSA-N 2 2 340.427 1.568 20 0 EDADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000868281797 596762256 /nfs/dbraw/zinc/76/22/56/596762256.db2.gz PGURUGMCABXWFY-IEBWSBKVSA-N 2 2 340.427 1.568 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)CC ZINC000872049134 596799078 /nfs/dbraw/zinc/79/90/78/596799078.db2.gz PJRYZOIAIDSAIZ-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148706 596811822 /nfs/dbraw/zinc/81/18/22/596811822.db2.gz PWWFEWPTUZEDLA-KWCYVHTRSA-N 2 2 329.366 1.760 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148706 596811826 /nfs/dbraw/zinc/81/18/26/596811826.db2.gz PWWFEWPTUZEDLA-KWCYVHTRSA-N 2 2 329.366 1.760 20 0 EDADLP Cc1c(-c2cc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cnn1C ZINC000872149472 596812711 /nfs/dbraw/zinc/81/27/11/596812711.db2.gz OSMNIKFRLOGUKZ-GXFFZTMASA-N 2 2 343.353 1.953 20 0 EDADLP Cc1c(-c2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)on2)cnn1C ZINC000872149472 596812713 /nfs/dbraw/zinc/81/27/13/596812713.db2.gz OSMNIKFRLOGUKZ-GXFFZTMASA-N 2 2 343.353 1.953 20 0 EDADLP CC(C)(O)C[C@H](O)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000872202912 596833978 /nfs/dbraw/zinc/83/39/78/596833978.db2.gz RKIZQJPZRPXMCA-INIZCTEOSA-N 2 2 328.497 1.381 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000866280938 596845592 /nfs/dbraw/zinc/84/55/92/596845592.db2.gz FWINILNRGJOEGR-OAHLLOKOSA-N 2 2 347.450 1.533 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000866280938 596845593 /nfs/dbraw/zinc/84/55/93/596845593.db2.gz FWINILNRGJOEGR-OAHLLOKOSA-N 2 2 347.450 1.533 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000872235829 596847699 /nfs/dbraw/zinc/84/76/99/596847699.db2.gz KTPPWBXMHPPRQW-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000872235829 596847703 /nfs/dbraw/zinc/84/77/03/596847703.db2.gz KTPPWBXMHPPRQW-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000872235829 596847706 /nfs/dbraw/zinc/84/77/06/596847706.db2.gz KTPPWBXMHPPRQW-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000872235829 596847709 /nfs/dbraw/zinc/84/77/09/596847709.db2.gz KTPPWBXMHPPRQW-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccc(CN2CCO[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000872235829 596847713 /nfs/dbraw/zinc/84/77/13/596847713.db2.gz KTPPWBXMHPPRQW-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP Cc1ccc(CN2CCO[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000872235829 596847718 /nfs/dbraw/zinc/84/77/18/596847718.db2.gz KTPPWBXMHPPRQW-PMACEKPBSA-N 2 2 347.503 1.241 20 0 EDADLP C[C@H](CCNC(=O)/C=C/C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000866291843 596849566 /nfs/dbraw/zinc/84/95/66/596849566.db2.gz JLNYCYNBRQGPKI-AHKGRUIUSA-N 2 2 345.487 1.902 20 0 EDADLP C[C@H](CCNC(=O)/C=C/C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000866291843 596849568 /nfs/dbraw/zinc/84/95/68/596849568.db2.gz JLNYCYNBRQGPKI-AHKGRUIUSA-N 2 2 345.487 1.902 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411466 596879599 /nfs/dbraw/zinc/87/95/99/596879599.db2.gz MVGWBFIBCGEKEV-BBRMVZONSA-N 2 2 337.439 1.978 20 0 EDADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411466 596879604 /nfs/dbraw/zinc/87/96/04/596879604.db2.gz MVGWBFIBCGEKEV-BBRMVZONSA-N 2 2 337.439 1.978 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c(C)[nH+]1 ZINC000874014086 596897920 /nfs/dbraw/zinc/89/79/20/596897920.db2.gz UHMSPLANYOYJGX-UHFFFAOYSA-N 2 2 344.459 1.971 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CCCS1 ZINC000876052818 597072804 /nfs/dbraw/zinc/07/28/04/597072804.db2.gz MUJVAMFDBORPJO-INIZCTEOSA-N 2 2 342.553 1.940 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CCCS1 ZINC000876052818 597072807 /nfs/dbraw/zinc/07/28/07/597072807.db2.gz MUJVAMFDBORPJO-INIZCTEOSA-N 2 2 342.553 1.940 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3csc(C4CC4)n3)C2)CC1 ZINC000874462497 597090256 /nfs/dbraw/zinc/09/02/56/597090256.db2.gz QHMJVMCAEGAKJQ-CQSZACIVSA-N 2 2 348.516 1.848 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3csc(C4CC4)n3)C2)CC1 ZINC000874462497 597090258 /nfs/dbraw/zinc/09/02/58/597090258.db2.gz QHMJVMCAEGAKJQ-CQSZACIVSA-N 2 2 348.516 1.848 20 0 EDADLP CC(C)[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000874466204 597092492 /nfs/dbraw/zinc/09/24/92/597092492.db2.gz HHJYQCLOWYWPRI-MRXNPFEDSA-N 2 2 326.529 1.353 20 0 EDADLP CC(C)[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH+]1CCN(C)CC1 ZINC000874466204 597092496 /nfs/dbraw/zinc/09/24/96/597092496.db2.gz HHJYQCLOWYWPRI-MRXNPFEDSA-N 2 2 326.529 1.353 20 0 EDADLP CC(C)[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N1CC[NH+](C)CC1 ZINC000874466204 597092498 /nfs/dbraw/zinc/09/24/98/597092498.db2.gz HHJYQCLOWYWPRI-MRXNPFEDSA-N 2 2 326.529 1.353 20 0 EDADLP CC(C)[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N1CC[NH+](C)CC1 ZINC000874466204 597092502 /nfs/dbraw/zinc/09/25/02/597092502.db2.gz HHJYQCLOWYWPRI-MRXNPFEDSA-N 2 2 326.529 1.353 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCC[NH+](C)C)C2)c1 ZINC000876194284 597127611 /nfs/dbraw/zinc/12/76/11/597127611.db2.gz VWPCTADLCYBRKO-QGZVFWFLSA-N 2 2 334.464 1.057 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874890525 597211529 /nfs/dbraw/zinc/21/15/29/597211529.db2.gz SUCYSFGQRDOEBD-HOCLYGCPSA-N 2 2 328.391 1.758 20 0 EDADLP C[N@H+](CCN1CC[NH+](Cc2cnc(N)cn2)CC1)Cc1ccccc1 ZINC000873205726 597227326 /nfs/dbraw/zinc/22/73/26/597227326.db2.gz UKOYYVOIYCPHPL-UHFFFAOYSA-N 2 2 340.475 1.308 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2cnc(N)cn2)CC1)Cc1ccccc1 ZINC000873205726 597227330 /nfs/dbraw/zinc/22/73/30/597227330.db2.gz UKOYYVOIYCPHPL-UHFFFAOYSA-N 2 2 340.475 1.308 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000876542702 597234011 /nfs/dbraw/zinc/23/40/11/597234011.db2.gz RYYVUPMPFCLBTF-FWWRYZNZSA-N 2 2 327.350 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000876542702 597234014 /nfs/dbraw/zinc/23/40/14/597234014.db2.gz RYYVUPMPFCLBTF-FWWRYZNZSA-N 2 2 327.350 1.820 20 0 EDADLP COCC[C@H](C[NH+]1CCC([NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000876595291 597254956 /nfs/dbraw/zinc/25/49/56/597254956.db2.gz BTBFEZGTQCNTQC-CQSZACIVSA-N 2 2 329.485 1.942 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000875071648 597269483 /nfs/dbraw/zinc/26/94/83/597269483.db2.gz MJDWEMIPPBJUAR-HNNXBMFYSA-N 2 2 335.452 1.058 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000875071648 597269485 /nfs/dbraw/zinc/26/94/85/597269485.db2.gz MJDWEMIPPBJUAR-HNNXBMFYSA-N 2 2 335.452 1.058 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000875071413 597269628 /nfs/dbraw/zinc/26/96/28/597269628.db2.gz IVSCVELMXNPVMH-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000875071413 597269629 /nfs/dbraw/zinc/26/96/29/597269629.db2.gz IVSCVELMXNPVMH-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000875071413 597269631 /nfs/dbraw/zinc/26/96/31/597269631.db2.gz IVSCVELMXNPVMH-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000875071413 597269632 /nfs/dbraw/zinc/26/96/32/597269632.db2.gz IVSCVELMXNPVMH-IXDOHACOSA-N 2 2 340.512 1.659 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000875090470 597277295 /nfs/dbraw/zinc/27/72/95/597277295.db2.gz NQBGTMAJZSEFIK-OAHLLOKOSA-N 2 2 349.479 1.015 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCC1(C)C ZINC000875095828 597279270 /nfs/dbraw/zinc/27/92/70/597279270.db2.gz MGXBPKRGQFCWJB-UHFFFAOYSA-N 2 2 333.480 1.888 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCC1(C)C ZINC000875095828 597279273 /nfs/dbraw/zinc/27/92/73/597279273.db2.gz MGXBPKRGQFCWJB-UHFFFAOYSA-N 2 2 333.480 1.888 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000876718692 597303088 /nfs/dbraw/zinc/30/30/88/597303088.db2.gz YMNUFWOKDRBEGE-SHTZXODSSA-N 2 2 344.459 1.530 20 0 EDADLP Cc1cc(NCCNC(=O)/C=C\[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000877026775 597415376 /nfs/dbraw/zinc/41/53/76/597415376.db2.gz HEWZPWWNXQTCEY-IDTUSYRASA-N 2 2 331.464 1.992 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C(F)(F)F ZINC000877359592 597501032 /nfs/dbraw/zinc/50/10/32/597501032.db2.gz IXOWHJAREGFSBM-NWDGAFQWSA-N 2 2 339.321 1.477 20 0 EDADLP Cc1nn2c(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)c(C)nc2s1 ZINC000877746105 597552729 /nfs/dbraw/zinc/55/27/29/597552729.db2.gz HYFKXAJJECIADB-UHFFFAOYSA-N 2 2 348.520 1.619 20 0 EDADLP CC1(C)C[C@@H](C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C(C)(C)O1 ZINC000878291855 597592990 /nfs/dbraw/zinc/59/29/90/597592990.db2.gz BJVQEMVPUQHMCY-HOCLYGCPSA-N 2 2 337.508 1.994 20 0 EDADLP CC1(C)C[C@@H](C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C(C)(C)O1 ZINC000878291855 597592991 /nfs/dbraw/zinc/59/29/91/597592991.db2.gz BJVQEMVPUQHMCY-HOCLYGCPSA-N 2 2 337.508 1.994 20 0 EDADLP O=c1[nH]ccn2c(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)nnc12 ZINC000878296420 597593383 /nfs/dbraw/zinc/59/33/83/597593383.db2.gz QAZUBOGWWQLGPJ-UHFFFAOYSA-N 2 2 344.463 1.506 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000878328018 597595813 /nfs/dbraw/zinc/59/58/13/597595813.db2.gz YHCBVCSXHWUXNF-AWEZNQCLSA-N 2 2 346.479 1.072 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)CC1 ZINC000878328018 597595814 /nfs/dbraw/zinc/59/58/14/597595814.db2.gz YHCBVCSXHWUXNF-AWEZNQCLSA-N 2 2 346.479 1.072 20 0 EDADLP CC(C)COC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccco1 ZINC000878409142 597600190 /nfs/dbraw/zinc/60/01/90/597600190.db2.gz ZTTDVYRSMFUVOH-MRXNPFEDSA-N 2 2 337.464 1.793 20 0 EDADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881471900 597630444 /nfs/dbraw/zinc/63/04/44/597630444.db2.gz KKDPLZYMHDOIMB-ZBFHGGJFSA-N 2 2 332.448 1.205 20 0 EDADLP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590791 597647607 /nfs/dbraw/zinc/64/76/07/597647607.db2.gz DVKMIURBUAVNBG-QGZVFWFLSA-N 2 2 344.503 1.750 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC000879591427 597648084 /nfs/dbraw/zinc/64/80/84/597648084.db2.gz WIUQCKGQMGYPJH-CALCHBBNSA-N 2 2 336.524 1.203 20 0 EDADLP Cc1ccccc1CNC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591832 597648513 /nfs/dbraw/zinc/64/85/13/597648513.db2.gz UOWTUQYYLAABMM-UHFFFAOYSA-N 2 2 344.503 1.323 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCN1c1cc[nH+]cc1 ZINC000881632141 597665151 /nfs/dbraw/zinc/66/51/51/597665151.db2.gz KUEONIOUCPHDFG-CABCVRRESA-N 2 2 325.416 1.578 20 0 EDADLP Cc1ccccc1[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131170957 597680676 /nfs/dbraw/zinc/68/06/76/597680676.db2.gz PGROAJFFUBSNLG-MSOLQXFVSA-N 2 2 331.460 1.443 20 0 EDADLP Cc1ccccc1[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131170957 597680678 /nfs/dbraw/zinc/68/06/78/597680678.db2.gz PGROAJFFUBSNLG-MSOLQXFVSA-N 2 2 331.460 1.443 20 0 EDADLP COC[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000883249151 597694111 /nfs/dbraw/zinc/69/41/11/597694111.db2.gz VHEKOZMCXWPBBD-FZNQNYSPSA-N 2 2 338.496 1.269 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000883291025 597702033 /nfs/dbraw/zinc/70/20/33/597702033.db2.gz PQXSYESKTDGNNV-UHFFFAOYSA-N 2 2 340.493 1.488 20 0 EDADLP CC1(C)CCC[C@H](C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)O1 ZINC000883430216 597744340 /nfs/dbraw/zinc/74/43/40/597744340.db2.gz POKWFQDEXDUHPD-OAHLLOKOSA-N 2 2 333.480 1.908 20 0 EDADLP [NH3+]C[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000883574620 597808599 /nfs/dbraw/zinc/80/85/99/597808599.db2.gz KZHOLBWDHOUXPA-STQMWFEESA-N 2 2 341.337 1.813 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccco2)CCN1c1cc[nH+]cc1 ZINC000880260484 597885765 /nfs/dbraw/zinc/88/57/65/597885765.db2.gz CQZBRUXUIMRIPU-OAHLLOKOSA-N 2 2 328.416 1.844 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccco2)CCN1c1cc[nH+]cc1 ZINC000880260484 597885767 /nfs/dbraw/zinc/88/57/67/597885767.db2.gz CQZBRUXUIMRIPU-OAHLLOKOSA-N 2 2 328.416 1.844 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000880261287 597886063 /nfs/dbraw/zinc/88/60/63/597886063.db2.gz IGGZKSGTEPIURK-OAHLLOKOSA-N 2 2 325.416 1.304 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)CCN1c1cc[nH+]cc1 ZINC000880261287 597886066 /nfs/dbraw/zinc/88/60/66/597886066.db2.gz IGGZKSGTEPIURK-OAHLLOKOSA-N 2 2 325.416 1.304 20 0 EDADLP COC(=O)CCN1CCC[C@H]([NH+]2CCC(C)([NH+]3CCC3)CC2)C1=O ZINC000880474610 597940300 /nfs/dbraw/zinc/94/03/00/597940300.db2.gz KCEJJVMQNWMGOE-HNNXBMFYSA-N 2 2 337.464 1.101 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CCC2(COC2)CC1 ZINC000890205255 597962376 /nfs/dbraw/zinc/96/23/76/597962376.db2.gz DJCOXUITWBEOCU-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CCC2(COC2)CC1 ZINC000890205255 597962379 /nfs/dbraw/zinc/96/23/79/597962379.db2.gz DJCOXUITWBEOCU-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC1(C)NC(=O)N(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1=O ZINC000880568944 597966447 /nfs/dbraw/zinc/96/64/47/597966447.db2.gz HPZYIQKMQVQZKC-OAHLLOKOSA-N 2 2 341.415 1.544 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CCO1 ZINC000884206034 598028518 /nfs/dbraw/zinc/02/85/18/598028518.db2.gz LFUBQXGGARIZTE-MRXNPFEDSA-N 2 2 345.443 1.530 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CCO1 ZINC000884206034 598028520 /nfs/dbraw/zinc/02/85/20/598028520.db2.gz LFUBQXGGARIZTE-MRXNPFEDSA-N 2 2 345.443 1.530 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCOC)[C@H](C)C1 ZINC000884326997 598068746 /nfs/dbraw/zinc/06/87/46/598068746.db2.gz GPTRHGAASCRZLI-NVXWUHKLSA-N 2 2 349.475 1.482 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000914196574 695273332 /nfs/dbraw/zinc/27/33/32/695273332.db2.gz ZKOFCSDOEVUHFG-CVEARBPZSA-N 2 2 349.479 1.556 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939862307 699985782 /nfs/dbraw/zinc/98/57/82/699985782.db2.gz ZQIWWSJDFSWZMX-CZUORRHYSA-N 2 2 346.406 1.668 20 0 EDADLP COc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939862308 699985879 /nfs/dbraw/zinc/98/58/79/699985879.db2.gz ZQIWWSJDFSWZMX-XJKSGUPXSA-N 2 2 346.406 1.668 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939856722 699995320 /nfs/dbraw/zinc/99/53/20/699995320.db2.gz PCGQNDPNVJFNEA-OCCSQVGLSA-N 2 2 333.823 1.568 20 0 EDADLP CCCc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cs1 ZINC000939856513 699995482 /nfs/dbraw/zinc/99/54/82/699995482.db2.gz NPCNMAVPAHPUMV-HIFRSBDPSA-N 2 2 347.488 1.929 20 0 EDADLP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992867764 695414390 /nfs/dbraw/zinc/41/43/90/695414390.db2.gz YISGGDZKBDJYLF-CWRNSKLLSA-N 2 2 342.447 1.103 20 0 EDADLP O=C(NC1C[NH+](CC[C@@H]2CCCO2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001031161051 695624093 /nfs/dbraw/zinc/62/40/93/695624093.db2.gz FUXBZZDCAIBWNL-KRWDZBQOSA-N 2 2 341.415 1.250 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC[N@@H+]1CCF ZINC000993581017 696233022 /nfs/dbraw/zinc/23/30/22/696233022.db2.gz VXBDKOPMWDKELL-ZFWWWQNUSA-N 2 2 331.395 1.820 20 0 EDADLP C[C@H]1[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CCC[N@H+]1CCF ZINC000993581017 696233024 /nfs/dbraw/zinc/23/30/24/696233024.db2.gz VXBDKOPMWDKELL-ZFWWWQNUSA-N 2 2 331.395 1.820 20 0 EDADLP C[C@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1Cc1ccnn1C ZINC000993686581 696309221 /nfs/dbraw/zinc/30/92/21/696309221.db2.gz WMEYRTHEAGUMLQ-DOTOQJQBSA-N 2 2 347.507 1.764 20 0 EDADLP Cc1conc1C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993749543 696347993 /nfs/dbraw/zinc/34/79/93/696347993.db2.gz CLKXWAOGIHJURM-ZBFHGGJFSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993749543 696347994 /nfs/dbraw/zinc/34/79/94/696347994.db2.gz CLKXWAOGIHJURM-ZBFHGGJFSA-N 2 2 334.464 1.794 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCC(F)(F)F ZINC000994219787 696587958 /nfs/dbraw/zinc/58/79/58/696587958.db2.gz BQCGJGGCYYJPCR-WCQYABFASA-N 2 2 332.370 1.884 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCC(F)(F)F ZINC000994219787 696587960 /nfs/dbraw/zinc/58/79/60/696587960.db2.gz BQCGJGGCYYJPCR-WCQYABFASA-N 2 2 332.370 1.884 20 0 EDADLP Cc1conc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994236819 696597638 /nfs/dbraw/zinc/59/76/38/696597638.db2.gz ABSFMPJAQUZZHM-CABCVRRESA-N 2 2 332.448 1.548 20 0 EDADLP Cc1conc1C[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994236819 696597640 /nfs/dbraw/zinc/59/76/40/696597640.db2.gz ABSFMPJAQUZZHM-CABCVRRESA-N 2 2 332.448 1.548 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000916341988 696653059 /nfs/dbraw/zinc/65/30/59/696653059.db2.gz OJFZVQLOTCBQBD-GJZGRUSLSA-N 2 2 349.504 1.598 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000916341988 696653061 /nfs/dbraw/zinc/65/30/61/696653061.db2.gz OJFZVQLOTCBQBD-GJZGRUSLSA-N 2 2 349.504 1.598 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+]([C@@H](C)c3cc(C)ccc3C)C2)C1 ZINC001031414117 697061704 /nfs/dbraw/zinc/06/17/04/697061704.db2.gz GWFIAQLBYIYLKD-LPHOPBHVSA-N 2 2 345.487 1.886 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+]([C@@H](C)c3cc(C)ccc3C)C2)C1 ZINC001031414117 697061706 /nfs/dbraw/zinc/06/17/06/697061706.db2.gz GWFIAQLBYIYLKD-LPHOPBHVSA-N 2 2 345.487 1.886 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3ccccc3C[NH+](C)C)C2)O1 ZINC001031438024 697108513 /nfs/dbraw/zinc/10/85/13/697108513.db2.gz QVHVJGUTYQKONY-PBHICJAKSA-N 2 2 331.460 1.730 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000918226954 697143813 /nfs/dbraw/zinc/14/38/13/697143813.db2.gz FOLFVIRALNXIMU-UHFFFAOYSA-N 2 2 349.504 1.716 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NC2CN(Cc3c[nH+]cn3C)C2)o1 ZINC001031467287 697148524 /nfs/dbraw/zinc/14/85/24/697148524.db2.gz CBAFLCRTKFPAPS-UHFFFAOYSA-N 2 2 345.447 1.469 20 0 EDADLP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)c2ccccc2)CC1 ZINC000925475101 697373432 /nfs/dbraw/zinc/37/34/32/697373432.db2.gz FHMUHEYOYWRQNP-GBESFXJTSA-N 3 2 328.504 1.835 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001031675600 697485060 /nfs/dbraw/zinc/48/50/60/697485060.db2.gz OEQJEVWQMVAUGI-CJNGLKHVSA-N 2 2 332.448 1.434 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC2C[NH+](CC3CCC3)C2)[nH]n1 ZINC001031685792 697515874 /nfs/dbraw/zinc/51/58/74/697515874.db2.gz FJSVDRMXSFTBJJ-KRWDZBQOSA-N 2 2 331.464 1.638 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC2C[NH+](CC3CCC3)C2)[nH]n1 ZINC001031685792 697515876 /nfs/dbraw/zinc/51/58/76/697515876.db2.gz FJSVDRMXSFTBJJ-KRWDZBQOSA-N 2 2 331.464 1.638 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C[N@@H+]1C1CC1 ZINC000921382663 697581289 /nfs/dbraw/zinc/58/12/89/697581289.db2.gz HMNHROUJQUZPJR-RYUDHWBXSA-N 2 2 337.493 1.629 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C[N@H+]1C1CC1 ZINC000921382663 697581291 /nfs/dbraw/zinc/58/12/91/697581291.db2.gz HMNHROUJQUZPJR-RYUDHWBXSA-N 2 2 337.493 1.629 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921488356 697621612 /nfs/dbraw/zinc/62/16/12/697621612.db2.gz SHTRRSJUIJHOQD-CABCVRRESA-N 2 2 345.472 1.713 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921488356 697621614 /nfs/dbraw/zinc/62/16/14/697621614.db2.gz SHTRRSJUIJHOQD-CABCVRRESA-N 2 2 345.472 1.713 20 0 EDADLP C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943176315 697870901 /nfs/dbraw/zinc/87/09/01/697870901.db2.gz JUKROXJBNFDFQT-YJBOKZPZSA-N 2 2 342.443 1.858 20 0 EDADLP C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943176315 697870904 /nfs/dbraw/zinc/87/09/04/697870904.db2.gz JUKROXJBNFDFQT-YJBOKZPZSA-N 2 2 342.443 1.858 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)cn1 ZINC001031729190 698082523 /nfs/dbraw/zinc/08/25/23/698082523.db2.gz HMLWKFWHNQPRKK-GOSISDBHSA-N 2 2 345.491 1.311 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)cn1 ZINC001031729190 698082528 /nfs/dbraw/zinc/08/25/28/698082528.db2.gz HMLWKFWHNQPRKK-GOSISDBHSA-N 2 2 345.491 1.311 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCC(F)(F)C2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001031744603 698344449 /nfs/dbraw/zinc/34/44/49/698344449.db2.gz KRWINFYAMIDJNR-IACUBPJLSA-N 2 2 338.402 1.997 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCC(F)(F)C2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001031744603 698344456 /nfs/dbraw/zinc/34/44/56/698344456.db2.gz KRWINFYAMIDJNR-IACUBPJLSA-N 2 2 338.402 1.997 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@@H+](CCCO)C[C@@H]3C)[nH+]c12 ZINC000943517548 698432133 /nfs/dbraw/zinc/43/21/33/698432133.db2.gz PNNHPTUHDHQQOI-RDJZCZTQSA-N 2 2 344.459 1.394 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@H+](CCCO)C[C@@H]3C)[nH+]c12 ZINC000943517548 698432139 /nfs/dbraw/zinc/43/21/39/698432139.db2.gz PNNHPTUHDHQQOI-RDJZCZTQSA-N 2 2 344.459 1.394 20 0 EDADLP C[C@@H]1C[N@H+](CCCC2CCOCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766623 698818698 /nfs/dbraw/zinc/81/86/98/698818698.db2.gz LYFCAIDDKFMPND-WBVHZDCISA-N 2 2 348.491 1.986 20 0 EDADLP C[C@@H]1C[N@@H+](CCCC2CCOCC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766623 698818704 /nfs/dbraw/zinc/81/87/04/698818704.db2.gz LYFCAIDDKFMPND-WBVHZDCISA-N 2 2 348.491 1.986 20 0 EDADLP Cc1cncc(C[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)c1 ZINC000943767174 698823841 /nfs/dbraw/zinc/82/38/41/698823841.db2.gz RQCUTMCELGKWGJ-ZBFHGGJFSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1cncc(C[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)c1 ZINC000943767174 698823846 /nfs/dbraw/zinc/82/38/46/698823846.db2.gz RQCUTMCELGKWGJ-ZBFHGGJFSA-N 2 2 327.432 1.682 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccns2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772690 699122920 /nfs/dbraw/zinc/12/29/20/699122920.db2.gz IMULQQKBZQWHQD-UHFFFAOYSA-N 2 2 341.440 1.924 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031778033 699173716 /nfs/dbraw/zinc/17/37/16/699173716.db2.gz HHRNHSHOOZZKKT-DOTOQJQBSA-N 2 2 332.448 1.063 20 0 EDADLP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031782852 699205436 /nfs/dbraw/zinc/20/54/36/699205436.db2.gz OBCYWZHFEWBSKS-QGZVFWFLSA-N 2 2 328.460 1.994 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c(C)o1 ZINC000995161637 701584016 /nfs/dbraw/zinc/58/40/16/701584016.db2.gz POLOGMBPNGKQRI-HUUCEWRRSA-N 2 2 345.447 1.642 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)ccc1C ZINC000939212020 699360903 /nfs/dbraw/zinc/36/09/03/699360903.db2.gz WKAVGJAFPXQJAZ-RHSMWYFYSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)sc1C ZINC001031813485 699502196 /nfs/dbraw/zinc/50/21/96/699502196.db2.gz UYQJYPVYLHETMG-UHFFFAOYSA-N 2 2 348.516 1.936 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)cn1 ZINC001031817472 699532198 /nfs/dbraw/zinc/53/21/98/699532198.db2.gz HWCHONNIUPOCQZ-UHFFFAOYSA-N 2 2 336.399 1.295 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939395553 699545628 /nfs/dbraw/zinc/54/56/28/699545628.db2.gz ACUUHKYNBRMDNA-GDBMZVCRSA-N 2 2 342.443 1.906 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939410128 699564376 /nfs/dbraw/zinc/56/43/76/699564376.db2.gz XZHRPVCENNAKAB-WCQYABFASA-N 2 2 333.823 1.637 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000939413954 699566886 /nfs/dbraw/zinc/56/68/86/699566886.db2.gz SJWLVPZZDMOFNZ-HIFRSBDPSA-N 2 2 344.463 1.540 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC000995164574 701603511 /nfs/dbraw/zinc/60/35/11/701603511.db2.gz CBLYJIMSGFFMFK-KBPBESRZSA-N 2 2 331.420 1.334 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939538976 699679662 /nfs/dbraw/zinc/67/96/62/699679662.db2.gz AAOKADXZSARTSC-SWLSCSKDSA-N 2 2 345.422 1.858 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000939622919 699760428 /nfs/dbraw/zinc/76/04/28/699760428.db2.gz PPSFZMVBCWCDOS-ABAIWWIYSA-N 2 2 347.850 1.946 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)cs1 ZINC000939624694 699762569 /nfs/dbraw/zinc/76/25/69/699762569.db2.gz YXENAXLOFQPSSP-BONVTDFDSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CC2CC(F)(F)C2)[C@@H](C)C1 ZINC000939627719 699765324 /nfs/dbraw/zinc/76/53/24/699765324.db2.gz VERPVXXJAMAACI-HZMBPMFUSA-N 2 2 326.391 1.742 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939643912 699784179 /nfs/dbraw/zinc/78/41/79/699784179.db2.gz XZGJFLGJJFWMRE-WFASDCNBSA-N 2 2 333.461 1.446 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cnon3)C2)c[nH+]1 ZINC000994987465 699806985 /nfs/dbraw/zinc/80/69/85/699806985.db2.gz ITQGVHFREQROGL-ZIAGYGMSSA-N 2 2 346.435 1.384 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccon3)C2)no1 ZINC000994997575 699862326 /nfs/dbraw/zinc/86/23/26/699862326.db2.gz HAQHAFKMBOPTKX-OLZOCXBDSA-N 2 2 347.419 1.413 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCOC2)C1)c1cccc2[nH+]ccn21 ZINC001031843782 699869062 /nfs/dbraw/zinc/86/90/62/699869062.db2.gz NVFLKWRAGUIGQU-CQSZACIVSA-N 2 2 328.416 1.423 20 0 EDADLP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000940178026 700311272 /nfs/dbraw/zinc/31/12/72/700311272.db2.gz ADWYWYNBCCUYLX-AWEZNQCLSA-N 2 2 349.479 1.587 20 0 EDADLP CCc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000940178026 700311276 /nfs/dbraw/zinc/31/12/76/700311276.db2.gz ADWYWYNBCCUYLX-AWEZNQCLSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC(C)([NH2+]C[C@@H]3CCOC3)CC2)c[nH+]1 ZINC000940173916 700328544 /nfs/dbraw/zinc/32/85/44/700328544.db2.gz HYQIKFNQQDMPAI-INIZCTEOSA-N 2 2 348.491 1.934 20 0 EDADLP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1)C1CCC1 ZINC001031968425 701654689 /nfs/dbraw/zinc/65/46/89/701654689.db2.gz WAKDIAFERMTOHW-NVXWUHKLSA-N 2 2 346.475 1.693 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940621350 700782669 /nfs/dbraw/zinc/78/26/69/700782669.db2.gz RGKJQBYAXVHOBX-GJZGRUSLSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940621350 700782671 /nfs/dbraw/zinc/78/26/71/700782671.db2.gz RGKJQBYAXVHOBX-GJZGRUSLSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940621350 700782672 /nfs/dbraw/zinc/78/26/72/700782672.db2.gz RGKJQBYAXVHOBX-GJZGRUSLSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940621350 700782673 /nfs/dbraw/zinc/78/26/73/700782673.db2.gz RGKJQBYAXVHOBX-GJZGRUSLSA-N 2 2 334.464 1.794 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940626082 700788410 /nfs/dbraw/zinc/78/84/10/700788410.db2.gz ZAFZPLMSPWBBLG-IAGOWNOFSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940626082 700788411 /nfs/dbraw/zinc/78/84/11/700788411.db2.gz ZAFZPLMSPWBBLG-IAGOWNOFSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940626082 700788412 /nfs/dbraw/zinc/78/84/12/700788412.db2.gz ZAFZPLMSPWBBLG-IAGOWNOFSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940626082 700788414 /nfs/dbraw/zinc/78/84/14/700788414.db2.gz ZAFZPLMSPWBBLG-IAGOWNOFSA-N 2 2 347.507 1.714 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940837336 700934855 /nfs/dbraw/zinc/93/48/55/700934855.db2.gz RXCVKWZAIQLNOY-MRXNPFEDSA-N 2 2 335.448 1.232 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940837336 700934857 /nfs/dbraw/zinc/93/48/57/700934857.db2.gz RXCVKWZAIQLNOY-MRXNPFEDSA-N 2 2 335.448 1.232 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000940847137 700942124 /nfs/dbraw/zinc/94/21/24/700942124.db2.gz PPNYSQVPYQZJOM-GDBMZVCRSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000940847137 700942125 /nfs/dbraw/zinc/94/21/25/700942125.db2.gz PPNYSQVPYQZJOM-GDBMZVCRSA-N 2 2 334.464 1.045 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+]([C@H](C)c3cnccn3)C2)C1 ZINC001031919722 701049614 /nfs/dbraw/zinc/04/96/14/701049614.db2.gz YODUXYNIFSGGCQ-WBVHZDCISA-N 2 2 345.491 1.708 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+]([C@H](C)c3cnccn3)C2)C1 ZINC001031919722 701049616 /nfs/dbraw/zinc/04/96/16/701049616.db2.gz YODUXYNIFSGGCQ-WBVHZDCISA-N 2 2 345.491 1.708 20 0 EDADLP CC1(C)C[N@H+](CCn2cccn2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060049 701106624 /nfs/dbraw/zinc/10/66/24/701106624.db2.gz AZJNZUGJVQSLBN-OAHLLOKOSA-N 2 2 330.436 1.066 20 0 EDADLP CC1(C)C[N@@H+](CCn2cccn2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060049 701106625 /nfs/dbraw/zinc/10/66/25/701106625.db2.gz AZJNZUGJVQSLBN-OAHLLOKOSA-N 2 2 330.436 1.066 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945807456 701198085 /nfs/dbraw/zinc/19/80/85/701198085.db2.gz JTLPPCKMHVICHN-UKRRQHHQSA-N 2 2 328.420 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ZINC000941221046 701411347 /nfs/dbraw/zinc/41/13/47/701411347.db2.gz KQLBRWRSMDWRTJ-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)C2)on1 ZINC000941221046 701411348 /nfs/dbraw/zinc/41/13/48/701411348.db2.gz KQLBRWRSMDWRTJ-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001031948750 701519284 /nfs/dbraw/zinc/51/92/84/701519284.db2.gz NEMKMPYKDHZJBS-AWEZNQCLSA-N 2 2 331.464 1.236 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)cn1 ZINC000995726839 701762425 /nfs/dbraw/zinc/76/24/25/701762425.db2.gz AXFGPTQSMYLKOJ-AWEZNQCLSA-N 2 2 330.436 1.103 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1C[NH+](Cc3ccccn3)C1)C2 ZINC001031974909 701905049 /nfs/dbraw/zinc/90/50/49/701905049.db2.gz LIYOZGWTNFWXPB-MRXNPFEDSA-N 2 2 339.443 1.397 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nccs2)C1 ZINC000995179489 701906202 /nfs/dbraw/zinc/90/62/02/701906202.db2.gz BJXJZZHYMWSXPJ-QWHCGFSZSA-N 2 2 333.461 1.792 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000995179772 701927056 /nfs/dbraw/zinc/92/70/56/701927056.db2.gz CLUBBWQBZJPXHL-GJZGRUSLSA-N 2 2 342.447 1.434 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995743302 701945074 /nfs/dbraw/zinc/94/50/74/701945074.db2.gz FQCCUMBXOXQNEU-HUUCEWRRSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnoc2C)C1 ZINC000995180302 701946337 /nfs/dbraw/zinc/94/63/37/701946337.db2.gz DXXVXXSPVJEBEZ-ZFWWWQNUSA-N 2 2 331.420 1.632 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)C[C@@H]1C ZINC000944445913 702033675 /nfs/dbraw/zinc/03/36/75/702033675.db2.gz QORAILDYQNHFCK-YOEHRIQHSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)C[C@@H]1C ZINC000944445913 702033679 /nfs/dbraw/zinc/03/36/79/702033679.db2.gz QORAILDYQNHFCK-YOEHRIQHSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]([NH2+]C[C@@H](C)O)C(C)(C)C3)ccn12 ZINC000995824577 702095192 /nfs/dbraw/zinc/09/51/92/702095192.db2.gz REFJOHXNAJTASW-HIFRSBDPSA-N 2 2 330.432 1.464 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000999217936 706650551 /nfs/dbraw/zinc/65/05/51/706650551.db2.gz WQOYILJOSOUKJD-HOTGVXAUSA-N 2 2 346.475 1.379 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000995924773 702249921 /nfs/dbraw/zinc/24/99/21/702249921.db2.gz QDIQZHQKPZNOOL-FMKPAKJESA-N 2 2 342.447 1.237 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000995924773 702249925 /nfs/dbraw/zinc/24/99/25/702249925.db2.gz QDIQZHQKPZNOOL-FMKPAKJESA-N 2 2 342.447 1.237 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995916544 702277571 /nfs/dbraw/zinc/27/75/71/702277571.db2.gz IWKVUJPMXOXYPK-HNNXBMFYSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995916544 702277576 /nfs/dbraw/zinc/27/75/76/702277576.db2.gz IWKVUJPMXOXYPK-HNNXBMFYSA-N 2 2 334.464 1.794 20 0 EDADLP C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944123478 702296619 /nfs/dbraw/zinc/29/66/19/702296619.db2.gz USRKQKUOCIOFJX-ZBFHGGJFSA-N 2 2 343.431 1.090 20 0 EDADLP C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000944123478 702296622 /nfs/dbraw/zinc/29/66/22/702296622.db2.gz USRKQKUOCIOFJX-ZBFHGGJFSA-N 2 2 343.431 1.090 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995965462 702312005 /nfs/dbraw/zinc/31/20/05/702312005.db2.gz CFZHVGNJUHLNBJ-KBPBESRZSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995965462 702312013 /nfs/dbraw/zinc/31/20/13/702312013.db2.gz CFZHVGNJUHLNBJ-KBPBESRZSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995981813 702341411 /nfs/dbraw/zinc/34/14/11/702341411.db2.gz NXDLBQCCCZDZCK-CABCVRRESA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)o1 ZINC000995981813 702341422 /nfs/dbraw/zinc/34/14/22/702341422.db2.gz NXDLBQCCCZDZCK-CABCVRRESA-N 2 2 334.464 1.794 20 0 EDADLP CC1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1[NH2+]Cc1cnon1 ZINC000996044499 702437721 /nfs/dbraw/zinc/43/77/21/702437721.db2.gz SVZKANKSAGBKPT-HNNXBMFYSA-N 2 2 340.387 1.358 20 0 EDADLP CC(C)[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996094791 702508576 /nfs/dbraw/zinc/50/85/76/702508576.db2.gz ZHXCCIGBOBMKOY-SJORKVTESA-N 2 2 337.508 1.722 20 0 EDADLP CC(C)[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996094791 702508582 /nfs/dbraw/zinc/50/85/82/702508582.db2.gz ZHXCCIGBOBMKOY-SJORKVTESA-N 2 2 337.508 1.722 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cncs1 ZINC000996104674 702522305 /nfs/dbraw/zinc/52/23/05/702522305.db2.gz DORMWOPUQCGWHZ-CQSZACIVSA-N 2 2 333.461 1.757 20 0 EDADLP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996104719 702523215 /nfs/dbraw/zinc/52/32/15/702523215.db2.gz FRCHBXBQHHUHAB-OAHLLOKOSA-N 2 2 330.436 1.034 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2CC[NH+](C)CC2)sn1 ZINC001032665879 706678663 /nfs/dbraw/zinc/67/86/63/706678663.db2.gz KGIRSEMFIIRIRQ-HOTGVXAUSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC2CC[NH+](C)CC2)sn1 ZINC001032665879 706678665 /nfs/dbraw/zinc/67/86/65/706678665.db2.gz KGIRSEMFIIRIRQ-HOTGVXAUSA-N 2 2 348.516 1.969 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996219706 702630965 /nfs/dbraw/zinc/63/09/65/702630965.db2.gz BCBXWASTGJTZGD-AWEZNQCLSA-N 2 2 349.479 1.300 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996299724 702690395 /nfs/dbraw/zinc/69/03/95/702690395.db2.gz DEKSLELQBCMSET-GXTWGEPZSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996299724 702690396 /nfs/dbraw/zinc/69/03/96/702690396.db2.gz DEKSLELQBCMSET-GXTWGEPZSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H](CC(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1)n1cc[nH+]c1 ZINC000996366117 702725898 /nfs/dbraw/zinc/72/58/98/702725898.db2.gz ZRFCBZXVQKLRGW-LSDHHAIUSA-N 2 2 344.463 1.595 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)cc1 ZINC000996462181 702789964 /nfs/dbraw/zinc/78/99/64/702789964.db2.gz QXJYOTJSKHVFRK-INIZCTEOSA-N 2 2 342.443 1.988 20 0 EDADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000996458394 702803047 /nfs/dbraw/zinc/80/30/47/702803047.db2.gz VSLVUCLNAZINPJ-LBPRGKRZSA-N 2 2 326.391 1.824 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996568335 702880133 /nfs/dbraw/zinc/88/01/33/702880133.db2.gz CQNSHJCCZLELKJ-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996568642 702880668 /nfs/dbraw/zinc/88/06/68/702880668.db2.gz JYPONPRFFHKBGF-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996612203 702917335 /nfs/dbraw/zinc/91/73/35/702917335.db2.gz PLQKZRRQJYFJNQ-ZDUSSCGKSA-N 2 2 346.435 1.560 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)c(C)n1 ZINC000996712057 703006835 /nfs/dbraw/zinc/00/68/35/703006835.db2.gz FBXAKOUMYNODBD-KRWDZBQOSA-N 2 2 341.459 1.922 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]Cc3csnn3)CC2)c[nH+]1 ZINC000996718773 703012545 /nfs/dbraw/zinc/01/25/45/703012545.db2.gz UZJZWXFNSUJUEN-UHFFFAOYSA-N 2 2 348.476 1.559 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996731976 703028950 /nfs/dbraw/zinc/02/89/50/703028950.db2.gz NKNBYROMZKYRDR-YJBOKZPZSA-N 2 2 346.475 1.595 20 0 EDADLP C[C@H]1C[N@H+](Cc2nncn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555046 703068398 /nfs/dbraw/zinc/06/83/98/703068398.db2.gz CQVJDKMSNHZXAO-LSDHHAIUSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nncn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555046 703068400 /nfs/dbraw/zinc/06/84/00/703068400.db2.gz CQVJDKMSNHZXAO-LSDHHAIUSA-N 2 2 348.495 1.016 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)[nH]1 ZINC000996799948 703086064 /nfs/dbraw/zinc/08/60/64/703086064.db2.gz CGEOQDFFDNHVBX-ZDUSSCGKSA-N 2 2 345.451 1.214 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC000996803703 703094000 /nfs/dbraw/zinc/09/40/00/703094000.db2.gz XIBQWWMEDKQZRK-CYBMUJFWSA-N 2 2 346.435 1.479 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581848 703098297 /nfs/dbraw/zinc/09/82/97/703098297.db2.gz NXZXJTRPFMTBEQ-CJNGLKHVSA-N 2 2 346.431 1.970 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)c1occc1C[NH+](C)C ZINC000942581848 703098299 /nfs/dbraw/zinc/09/82/99/703098299.db2.gz NXZXJTRPFMTBEQ-CJNGLKHVSA-N 2 2 346.431 1.970 20 0 EDADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC000996823864 703114162 /nfs/dbraw/zinc/11/41/62/703114162.db2.gz SHNVTVCOWOYAON-VXGBXAGGSA-N 2 2 332.370 1.977 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCCC2)C1 ZINC001032332006 703114190 /nfs/dbraw/zinc/11/41/90/703114190.db2.gz ORWJVGZGMSBGRF-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCCC2)C1 ZINC001032332006 703114193 /nfs/dbraw/zinc/11/41/93/703114193.db2.gz ORWJVGZGMSBGRF-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCCC2)C1 ZINC001032332006 703114195 /nfs/dbraw/zinc/11/41/95/703114195.db2.gz ORWJVGZGMSBGRF-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC2CCCC2)C1 ZINC001032332006 703114197 /nfs/dbraw/zinc/11/41/97/703114197.db2.gz ORWJVGZGMSBGRF-OKZBNKHCSA-N 2 2 335.492 1.573 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC000996829900 703119031 /nfs/dbraw/zinc/11/90/31/703119031.db2.gz HWSCLXLERSTOFK-JSGCOSHPSA-N 2 2 344.381 1.979 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC000996829900 703119033 /nfs/dbraw/zinc/11/90/33/703119033.db2.gz HWSCLXLERSTOFK-JSGCOSHPSA-N 2 2 344.381 1.979 20 0 EDADLP CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC000996854307 703132639 /nfs/dbraw/zinc/13/26/39/703132639.db2.gz GMGBSBFETLYRLF-WDEREUQCSA-N 2 2 332.370 1.934 20 0 EDADLP Cc1ccnc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000996858505 703142753 /nfs/dbraw/zinc/14/27/53/703142753.db2.gz JUIPTGHTHAYRKC-UHFFFAOYSA-N 2 2 328.420 1.152 20 0 EDADLP CCCc1nc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)no1 ZINC000996942557 703211886 /nfs/dbraw/zinc/21/18/86/703211886.db2.gz BPZWHBRCUCTWAO-UHFFFAOYSA-N 2 2 349.479 1.445 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996992893 703249480 /nfs/dbraw/zinc/24/94/80/703249480.db2.gz ZJNPLIDEYXEBTB-GOEBONIOSA-N 2 2 346.475 1.837 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000996999780 703256920 /nfs/dbraw/zinc/25/69/20/703256920.db2.gz SOXODQVGWIELET-QAPCUYQASA-N 2 2 346.475 1.129 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000996999780 703256921 /nfs/dbraw/zinc/25/69/21/703256921.db2.gz SOXODQVGWIELET-QAPCUYQASA-N 2 2 346.475 1.129 20 0 EDADLP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)n1 ZINC000997018255 703268634 /nfs/dbraw/zinc/26/86/34/703268634.db2.gz SYUGRFOAQQQSFW-HZPDHXFCSA-N 2 2 342.447 1.038 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)cn1 ZINC000997047490 703301045 /nfs/dbraw/zinc/30/10/45/703301045.db2.gz ZCJPMIGZZNLAAJ-CQSZACIVSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997084985 703330396 /nfs/dbraw/zinc/33/03/96/703330396.db2.gz NMRVFNYXFNPYCA-CYBMUJFWSA-N 2 2 344.463 1.411 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997084985 703330398 /nfs/dbraw/zinc/33/03/98/703330398.db2.gz NMRVFNYXFNPYCA-CYBMUJFWSA-N 2 2 344.463 1.411 20 0 EDADLP CN(C)c1cc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)ccn1 ZINC000997128840 703387690 /nfs/dbraw/zinc/38/76/90/703387690.db2.gz VPWJXRWHYLWZMG-UHFFFAOYSA-N 2 2 342.447 1.194 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032400891 703416451 /nfs/dbraw/zinc/41/64/51/703416451.db2.gz YAYXCHXBBSVKSF-YQQAZPJKSA-N 2 2 348.516 1.844 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1 ZINC001032400891 703416453 /nfs/dbraw/zinc/41/64/53/703416453.db2.gz YAYXCHXBBSVKSF-YQQAZPJKSA-N 2 2 348.516 1.844 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1 ZINC001032400891 703416454 /nfs/dbraw/zinc/41/64/54/703416454.db2.gz YAYXCHXBBSVKSF-YQQAZPJKSA-N 2 2 348.516 1.844 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1 ZINC001032400891 703416456 /nfs/dbraw/zinc/41/64/56/703416456.db2.gz YAYXCHXBBSVKSF-YQQAZPJKSA-N 2 2 348.516 1.844 20 0 EDADLP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001032417395 703500729 /nfs/dbraw/zinc/50/07/29/703500729.db2.gz ZCMTUVQUJCBWNH-GRDNDAEWSA-N 2 2 331.464 1.731 20 0 EDADLP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001032417395 703500730 /nfs/dbraw/zinc/50/07/30/703500730.db2.gz ZCMTUVQUJCBWNH-GRDNDAEWSA-N 2 2 331.464 1.731 20 0 EDADLP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001032417395 703500732 /nfs/dbraw/zinc/50/07/32/703500732.db2.gz ZCMTUVQUJCBWNH-GRDNDAEWSA-N 2 2 331.464 1.731 20 0 EDADLP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001032417395 703500733 /nfs/dbraw/zinc/50/07/33/703500733.db2.gz ZCMTUVQUJCBWNH-GRDNDAEWSA-N 2 2 331.464 1.731 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032437354 703605468 /nfs/dbraw/zinc/60/54/68/703605468.db2.gz BBYAOYLRCNXRQQ-IRXDYDNUSA-N 2 2 332.448 1.444 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032437354 703605470 /nfs/dbraw/zinc/60/54/70/703605470.db2.gz BBYAOYLRCNXRQQ-IRXDYDNUSA-N 2 2 332.448 1.444 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032437354 703605472 /nfs/dbraw/zinc/60/54/72/703605472.db2.gz BBYAOYLRCNXRQQ-IRXDYDNUSA-N 2 2 332.448 1.444 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032437354 703605474 /nfs/dbraw/zinc/60/54/74/703605474.db2.gz BBYAOYLRCNXRQQ-IRXDYDNUSA-N 2 2 332.448 1.444 20 0 EDADLP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1)C1CCC1 ZINC001032447967 703631559 /nfs/dbraw/zinc/63/15/59/703631559.db2.gz GKTPWPLETCHEOH-GJZGRUSLSA-N 2 2 334.489 1.455 20 0 EDADLP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccns1)C1CCC1 ZINC001032447967 703631560 /nfs/dbraw/zinc/63/15/60/703631560.db2.gz GKTPWPLETCHEOH-GJZGRUSLSA-N 2 2 334.489 1.455 20 0 EDADLP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1)C1CCC1 ZINC001032447967 703631562 /nfs/dbraw/zinc/63/15/62/703631562.db2.gz GKTPWPLETCHEOH-GJZGRUSLSA-N 2 2 334.489 1.455 20 0 EDADLP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1)C1CCC1 ZINC001032447967 703631564 /nfs/dbraw/zinc/63/15/64/703631564.db2.gz GKTPWPLETCHEOH-GJZGRUSLSA-N 2 2 334.489 1.455 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997419849 703670081 /nfs/dbraw/zinc/67/00/81/703670081.db2.gz DAJKGXBIURZLOO-DOMZBBRYSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997419849 703670082 /nfs/dbraw/zinc/67/00/82/703670082.db2.gz DAJKGXBIURZLOO-DOMZBBRYSA-N 2 2 335.452 1.046 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccccc1F)[NH+](C)C ZINC001032474670 703693694 /nfs/dbraw/zinc/69/36/94/703693694.db2.gz HXUVNKBJLFQNBN-XYJFISCASA-N 2 2 333.451 1.994 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nocc2C)CC1 ZINC001004210656 703957785 /nfs/dbraw/zinc/95/77/85/703957785.db2.gz YKFBWNDKRXNYDG-QGZVFWFLSA-N 2 2 334.464 1.938 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nocc2C)CC1 ZINC001004210656 703957789 /nfs/dbraw/zinc/95/77/89/703957789.db2.gz YKFBWNDKRXNYDG-QGZVFWFLSA-N 2 2 334.464 1.938 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2ccc[nH+]c2N)CC1=O ZINC000922665090 704215930 /nfs/dbraw/zinc/21/59/30/704215930.db2.gz YELIIRVMYDBLDO-CABCVRRESA-N 2 2 346.431 1.040 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)OCc2ccc[nH+]c2N)CC1=O ZINC000922665090 704215932 /nfs/dbraw/zinc/21/59/32/704215932.db2.gz YELIIRVMYDBLDO-CABCVRRESA-N 2 2 346.431 1.040 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC000999310453 706813385 /nfs/dbraw/zinc/81/33/85/706813385.db2.gz YGVAJHHWMYYSBV-CABCVRRESA-N 2 2 349.479 1.587 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC000999310453 706813386 /nfs/dbraw/zinc/81/33/86/706813386.db2.gz YGVAJHHWMYYSBV-CABCVRRESA-N 2 2 349.479 1.587 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944946673 704799769 /nfs/dbraw/zinc/79/97/69/704799769.db2.gz YDXFTYJVEGWUSC-RDJZCZTQSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944946673 704799771 /nfs/dbraw/zinc/79/97/71/704799771.db2.gz YDXFTYJVEGWUSC-RDJZCZTQSA-N 2 2 333.480 1.325 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC000944964973 704833870 /nfs/dbraw/zinc/83/38/70/704833870.db2.gz NUBAQRIJLUDCDP-DYVFJYSZSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC000944964973 704833873 /nfs/dbraw/zinc/83/38/73/704833873.db2.gz NUBAQRIJLUDCDP-DYVFJYSZSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+][C@H](C)c2nnc(C)[nH]2)CC1 ZINC000997916987 704976225 /nfs/dbraw/zinc/97/62/25/704976225.db2.gz XVIBKTHVQQQWJA-CYBMUJFWSA-N 2 2 345.451 1.207 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)Cn3c[nH+]cc3C)CC2)n1 ZINC000997916944 704976372 /nfs/dbraw/zinc/97/63/72/704976372.db2.gz WZQUVZBCKHPVMK-CYBMUJFWSA-N 2 2 346.435 1.472 20 0 EDADLP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000997950815 705077623 /nfs/dbraw/zinc/07/76/23/705077623.db2.gz AEBKTNKHVJKGNO-UHFFFAOYSA-N 2 2 345.447 1.906 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998052181 705255216 /nfs/dbraw/zinc/25/52/16/705255216.db2.gz ORUCQVZMQSIKQU-IRXDYDNUSA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998052181 705255218 /nfs/dbraw/zinc/25/52/18/705255218.db2.gz ORUCQVZMQSIKQU-IRXDYDNUSA-N 2 2 348.491 1.795 20 0 EDADLP CCc1noc(C)c1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000998114982 705365497 /nfs/dbraw/zinc/36/54/97/705365497.db2.gz KQWVOGSMZWXYFZ-UHFFFAOYSA-N 2 2 345.447 1.839 20 0 EDADLP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000998246114 705593128 /nfs/dbraw/zinc/59/31/28/705593128.db2.gz WYEATKZVZPYLQA-UHFFFAOYSA-N 2 2 345.447 1.894 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC000998301394 705699171 /nfs/dbraw/zinc/69/91/71/705699171.db2.gz GSZYQFOUPJNMJZ-RYUDHWBXSA-N 2 2 336.333 1.301 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)nc1 ZINC000998297484 705700465 /nfs/dbraw/zinc/70/04/65/705700465.db2.gz JYFUSEUJNSJUIO-UHFFFAOYSA-N 2 2 328.420 1.010 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC000998322913 705743291 /nfs/dbraw/zinc/74/32/91/705743291.db2.gz YAZSUJQYLGGMSH-QWHCGFSZSA-N 2 2 330.354 1.662 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)c[nH+]1 ZINC000998987277 706418863 /nfs/dbraw/zinc/41/88/63/706418863.db2.gz LMVFAWJZQRHFRW-UHFFFAOYSA-N 2 2 344.463 1.439 20 0 EDADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]Cc2nccs2)C1 ZINC000999005853 706446084 /nfs/dbraw/zinc/44/60/84/706446084.db2.gz WARHPWLETQJDQN-HSBZDZAISA-N 2 2 345.472 1.681 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]CCn2cccn2)C1 ZINC000999110780 706538062 /nfs/dbraw/zinc/53/80/62/706538062.db2.gz MIJOEYINRPISQE-UHFFFAOYSA-N 2 2 338.415 1.424 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999319595 706819322 /nfs/dbraw/zinc/81/93/22/706819322.db2.gz VVUSCFMDXNNHOR-MRXNPFEDSA-N 2 2 327.432 1.827 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)no1 ZINC000999341510 706852982 /nfs/dbraw/zinc/85/29/82/706852982.db2.gz GHFXVFUMLZQWLR-UHFFFAOYSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)o1 ZINC000999376295 706870371 /nfs/dbraw/zinc/87/03/71/706870371.db2.gz VTFRBPBQFDIBKY-LSDHHAIUSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)o1 ZINC000999368103 706881701 /nfs/dbraw/zinc/88/17/01/706881701.db2.gz FTSQQCMIAHDPLY-HOCLYGCPSA-N 2 2 343.431 1.838 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999369984 706883964 /nfs/dbraw/zinc/88/39/64/706883964.db2.gz KVJVGSFXZNSRTN-OCCSQVGLSA-N 2 2 346.460 1.393 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)[nH]1 ZINC000999372562 706886735 /nfs/dbraw/zinc/88/67/35/706886735.db2.gz CFYSNGPLGGTJCV-TZMCWYRMSA-N 2 2 334.468 1.239 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)[nH]1 ZINC000999372562 706886737 /nfs/dbraw/zinc/88/67/37/706886737.db2.gz CFYSNGPLGGTJCV-TZMCWYRMSA-N 2 2 334.468 1.239 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000999401711 706909715 /nfs/dbraw/zinc/90/97/15/706909715.db2.gz QCCMCIGATGHSQS-GJZGRUSLSA-N 2 2 335.452 1.333 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000999401711 706909719 /nfs/dbraw/zinc/90/97/19/706909719.db2.gz QCCMCIGATGHSQS-GJZGRUSLSA-N 2 2 335.452 1.333 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc3ccon3)C1)C2 ZINC000999409216 706919073 /nfs/dbraw/zinc/91/90/73/706919073.db2.gz POEBHEZOXUMTEZ-IUDNXUCKSA-N 2 2 343.431 1.521 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1)[NH+](C)C ZINC000999495999 707032966 /nfs/dbraw/zinc/03/29/66/707032966.db2.gz NHMLHRSCVLJZKI-ZIAGYGMSSA-N 2 2 335.452 1.368 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000999534579 707034931 /nfs/dbraw/zinc/03/49/31/707034931.db2.gz GBNHEAKJRMEVDK-DOTOQJQBSA-N 2 2 339.443 1.621 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000999549183 707048649 /nfs/dbraw/zinc/04/86/49/707048649.db2.gz ROUIPFJYSAODOQ-SJORKVTESA-N 2 2 339.443 1.621 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3cncs3)C2)no1 ZINC000999563643 707060071 /nfs/dbraw/zinc/06/00/71/707060071.db2.gz UQBRUVKVSUAFHQ-LBPRGKRZSA-N 2 2 349.460 1.587 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)o1 ZINC000999575637 707082471 /nfs/dbraw/zinc/08/24/71/707082471.db2.gz QBZVRGIZMKTWNG-HZPDHXFCSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)o1 ZINC000999575637 707082473 /nfs/dbraw/zinc/08/24/73/707082473.db2.gz QBZVRGIZMKTWNG-HZPDHXFCSA-N 2 2 349.479 1.579 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999606232 707098229 /nfs/dbraw/zinc/09/82/29/707098229.db2.gz RYAVYAHFKWFHRH-UYSNPLJNSA-N 2 2 334.464 1.472 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946694339 707148916 /nfs/dbraw/zinc/14/89/16/707148916.db2.gz RXXABUSWXHIOIS-CALCHBBNSA-N 2 2 330.476 1.933 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946694339 707148920 /nfs/dbraw/zinc/14/89/20/707148920.db2.gz RXXABUSWXHIOIS-CALCHBBNSA-N 2 2 330.476 1.933 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CCn2cccn2)C1 ZINC000999697847 707223424 /nfs/dbraw/zinc/22/34/24/707223424.db2.gz NRQFJOVLWAGFPI-UHFFFAOYSA-N 2 2 330.436 1.163 20 0 EDADLP CCc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999726671 707268998 /nfs/dbraw/zinc/26/89/98/707268998.db2.gz ORKWRPYXFXWEFR-ZIAGYGMSSA-N 2 2 346.435 1.479 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)n1 ZINC000999839120 707411061 /nfs/dbraw/zinc/41/10/61/707411061.db2.gz YSRSBNJVXWOKKN-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)nn1 ZINC001033197195 707415428 /nfs/dbraw/zinc/41/54/28/707415428.db2.gz HHSJNZVZELRIQL-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)nn1 ZINC001033197195 707415430 /nfs/dbraw/zinc/41/54/30/707415430.db2.gz HHSJNZVZELRIQL-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001033197195 707415431 /nfs/dbraw/zinc/41/54/31/707415431.db2.gz HHSJNZVZELRIQL-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001033197195 707415433 /nfs/dbraw/zinc/41/54/33/707415433.db2.gz HHSJNZVZELRIQL-CVEARBPZSA-N 2 2 347.463 1.002 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033298079 707435764 /nfs/dbraw/zinc/43/57/64/707435764.db2.gz ZNEJEYKAEWATKD-DLBZAZTESA-N 2 2 341.471 1.380 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033298079 707435765 /nfs/dbraw/zinc/43/57/65/707435765.db2.gz ZNEJEYKAEWATKD-DLBZAZTESA-N 2 2 341.471 1.380 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[C@H]1CC[NH+](CCCF)C1 ZINC001033298079 707435767 /nfs/dbraw/zinc/43/57/67/707435767.db2.gz ZNEJEYKAEWATKD-DLBZAZTESA-N 2 2 341.471 1.380 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)[C@H]1CC[NH+](CCCF)C1 ZINC001033298079 707435769 /nfs/dbraw/zinc/43/57/69/707435769.db2.gz ZNEJEYKAEWATKD-DLBZAZTESA-N 2 2 341.471 1.380 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000999834296 707467368 /nfs/dbraw/zinc/46/73/68/707467368.db2.gz AYKPHEMJABBFQR-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP COc1cc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)sn1 ZINC000999914425 707556447 /nfs/dbraw/zinc/55/64/47/707556447.db2.gz BFVKYTCPJUEYLO-UHFFFAOYSA-N 2 2 335.433 1.127 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946815786 707565266 /nfs/dbraw/zinc/56/52/66/707565266.db2.gz OTTHXIYRLFEQEV-QXSJWSMHSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946815786 707565272 /nfs/dbraw/zinc/56/52/72/707565272.db2.gz OTTHXIYRLFEQEV-QXSJWSMHSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946815786 707565275 /nfs/dbraw/zinc/56/52/75/707565275.db2.gz OTTHXIYRLFEQEV-QXSJWSMHSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946815786 707565278 /nfs/dbraw/zinc/56/52/78/707565278.db2.gz OTTHXIYRLFEQEV-QXSJWSMHSA-N 2 2 334.464 1.140 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004948079 707721734 /nfs/dbraw/zinc/72/17/34/707721734.db2.gz RTTHRHRZAGHULZ-GOEBONIOSA-N 2 2 344.463 1.728 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(F)cc2)C1 ZINC001032730322 707738087 /nfs/dbraw/zinc/73/80/87/707738087.db2.gz AOAPGAAGKKZNCK-SZMVWBNQSA-N 2 2 331.435 1.953 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(F)cc2)C1 ZINC001032730322 707738091 /nfs/dbraw/zinc/73/80/91/707738091.db2.gz AOAPGAAGKKZNCK-SZMVWBNQSA-N 2 2 331.435 1.953 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(F)cc2)C1 ZINC001032730322 707738095 /nfs/dbraw/zinc/73/80/95/707738095.db2.gz AOAPGAAGKKZNCK-SZMVWBNQSA-N 2 2 331.435 1.953 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(F)cc2)C1 ZINC001032730322 707738098 /nfs/dbraw/zinc/73/80/98/707738098.db2.gz AOAPGAAGKKZNCK-SZMVWBNQSA-N 2 2 331.435 1.953 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)on1 ZINC001033417824 707801164 /nfs/dbraw/zinc/80/11/64/707801164.db2.gz AWDCJVQYESWSAJ-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)on1 ZINC001033417824 707801170 /nfs/dbraw/zinc/80/11/70/707801170.db2.gz AWDCJVQYESWSAJ-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)on1 ZINC001033417824 707801174 /nfs/dbraw/zinc/80/11/74/707801174.db2.gz AWDCJVQYESWSAJ-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)on1 ZINC001033417824 707801179 /nfs/dbraw/zinc/80/11/79/707801179.db2.gz AWDCJVQYESWSAJ-KGLIPLIRSA-N 2 2 336.436 1.058 20 0 EDADLP C[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004976323 707810153 /nfs/dbraw/zinc/81/01/53/707810153.db2.gz FGIZCCAKLZFECX-QAPCUYQASA-N 2 2 348.491 1.748 20 0 EDADLP C[C@H]([NH2+]Cc1cccnc1)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004969076 707824207 /nfs/dbraw/zinc/82/42/07/707824207.db2.gz YTFQGYCOBAQETH-HOCLYGCPSA-N 2 2 327.432 1.907 20 0 EDADLP Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001004989142 707847466 /nfs/dbraw/zinc/84/74/66/707847466.db2.gz FOIOUKVGXSHHQF-DOMZBBRYSA-N 2 2 345.451 1.177 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033431222 707862852 /nfs/dbraw/zinc/86/28/52/707862852.db2.gz BTURELSCWDQSBP-GVDBMIGSSA-N 2 2 339.443 1.652 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001033431222 707862854 /nfs/dbraw/zinc/86/28/54/707862854.db2.gz BTURELSCWDQSBP-GVDBMIGSSA-N 2 2 339.443 1.652 20 0 EDADLP C[C@H](O)C[NH+]1CCC(C2(NC(=O)c3cccc4[nH+]ccn43)CC2)CC1 ZINC001000211822 707872995 /nfs/dbraw/zinc/87/29/95/707872995.db2.gz WNWRDHJXGNHPJT-AWEZNQCLSA-N 2 2 342.443 1.690 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)on1 ZINC001033227960 707897499 /nfs/dbraw/zinc/89/74/99/707897499.db2.gz HRMANFJRZNVULO-OAHLLOKOSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)on1 ZINC001033227960 707897504 /nfs/dbraw/zinc/89/75/04/707897504.db2.gz HRMANFJRZNVULO-OAHLLOKOSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)on1 ZINC001004998964 707898158 /nfs/dbraw/zinc/89/81/58/707898158.db2.gz CLPHKUQFGPMMQT-HOCLYGCPSA-N 2 2 331.420 1.739 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033476101 707936593 /nfs/dbraw/zinc/93/65/93/707936593.db2.gz ZDQXSWMORWQPTB-INIZCTEOSA-N 2 2 341.471 1.524 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033476101 707936595 /nfs/dbraw/zinc/93/65/95/707936595.db2.gz ZDQXSWMORWQPTB-INIZCTEOSA-N 2 2 341.471 1.524 20 0 EDADLP Cn1c[nH+]cc1CN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032800749 708083523 /nfs/dbraw/zinc/08/35/23/708083523.db2.gz YAATUUBHCBHKRL-HOTGVXAUSA-N 2 2 331.464 1.081 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061014318 708175342 /nfs/dbraw/zinc/17/53/42/708175342.db2.gz LDWHTXXXTZJDCS-JKSUJKDBSA-N 2 2 331.464 1.920 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061014318 708175343 /nfs/dbraw/zinc/17/53/43/708175343.db2.gz LDWHTXXXTZJDCS-JKSUJKDBSA-N 2 2 331.464 1.920 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001033588827 708283204 /nfs/dbraw/zinc/28/32/04/708283204.db2.gz LFPWGJGPBJBSPM-GJZGRUSLSA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001033588827 708283209 /nfs/dbraw/zinc/28/32/09/708283209.db2.gz LFPWGJGPBJBSPM-GJZGRUSLSA-N 2 2 334.464 1.789 20 0 EDADLP CCc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033593315 708292934 /nfs/dbraw/zinc/29/29/34/708292934.db2.gz KNFPYISKGIJZBR-OAHLLOKOSA-N 2 2 348.516 1.834 20 0 EDADLP CCc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033593315 708292935 /nfs/dbraw/zinc/29/29/35/708292935.db2.gz KNFPYISKGIJZBR-OAHLLOKOSA-N 2 2 348.516 1.834 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033596274 708301227 /nfs/dbraw/zinc/30/12/27/708301227.db2.gz XOBVMMKNGBDSOF-INIZCTEOSA-N 2 2 331.464 1.032 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033596274 708301231 /nfs/dbraw/zinc/30/12/31/708301231.db2.gz XOBVMMKNGBDSOF-INIZCTEOSA-N 2 2 331.464 1.032 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001033670705 708460994 /nfs/dbraw/zinc/46/09/94/708460994.db2.gz XLDRFDKVHARUMF-OAHLLOKOSA-N 2 2 345.447 1.783 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)o1 ZINC001033670705 708460995 /nfs/dbraw/zinc/46/09/95/708460995.db2.gz XLDRFDKVHARUMF-OAHLLOKOSA-N 2 2 345.447 1.783 20 0 EDADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc3n2CCOC3)CC1 ZINC000921860111 708697837 /nfs/dbraw/zinc/69/78/37/708697837.db2.gz PBBCGNKZEPGRCX-IRXDYDNUSA-N 2 2 334.464 1.271 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001033775825 708701721 /nfs/dbraw/zinc/70/17/21/708701721.db2.gz NQCAZBNKPMSGKJ-GJZGRUSLSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001033775825 708701723 /nfs/dbraw/zinc/70/17/23/708701723.db2.gz NQCAZBNKPMSGKJ-GJZGRUSLSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ncc(C)s2)C1 ZINC001033775825 708701725 /nfs/dbraw/zinc/70/17/25/708701725.db2.gz NQCAZBNKPMSGKJ-GJZGRUSLSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ncc(C)s2)C1 ZINC001033775825 708701726 /nfs/dbraw/zinc/70/17/26/708701726.db2.gz NQCAZBNKPMSGKJ-GJZGRUSLSA-N 2 2 336.505 1.969 20 0 EDADLP C[C@@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)C1=CC[N@H+](C)CC1 ZINC000921880984 708771552 /nfs/dbraw/zinc/77/15/52/708771552.db2.gz MDKKISDVALOZJY-GFCCVEGCSA-N 2 2 337.493 1.654 20 0 EDADLP C[C@@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)C1=CC[N@@H+](C)CC1 ZINC000921880984 708771554 /nfs/dbraw/zinc/77/15/54/708771554.db2.gz MDKKISDVALOZJY-GFCCVEGCSA-N 2 2 337.493 1.654 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033830999 708853138 /nfs/dbraw/zinc/85/31/38/708853138.db2.gz RKWMQVCMMLTBPZ-SJORKVTESA-N 2 2 345.491 1.185 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033830999 708853142 /nfs/dbraw/zinc/85/31/42/708853142.db2.gz RKWMQVCMMLTBPZ-SJORKVTESA-N 2 2 345.491 1.185 20 0 EDADLP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c(C)n1 ZINC001002524260 709078965 /nfs/dbraw/zinc/07/89/65/709078965.db2.gz RSVWCILTCXGWMZ-SFHVURJKSA-N 2 2 346.475 1.110 20 0 EDADLP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c(C)n1 ZINC001002524260 709078967 /nfs/dbraw/zinc/07/89/67/709078967.db2.gz RSVWCILTCXGWMZ-SFHVURJKSA-N 2 2 346.475 1.110 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001034016120 709233224 /nfs/dbraw/zinc/23/32/24/709233224.db2.gz LCXCWPWRTDSWRT-ZFWWWQNUSA-N 2 2 347.463 1.458 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+]([C@@H](C)c2nc(C)no2)C1 ZINC001034016120 709233228 /nfs/dbraw/zinc/23/32/28/709233228.db2.gz LCXCWPWRTDSWRT-ZFWWWQNUSA-N 2 2 347.463 1.458 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000921972959 709327686 /nfs/dbraw/zinc/32/76/86/709327686.db2.gz CXFWTQIUWLOPOX-KRWDZBQOSA-N 2 2 325.416 1.875 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000921972959 709327688 /nfs/dbraw/zinc/32/76/88/709327688.db2.gz CXFWTQIUWLOPOX-KRWDZBQOSA-N 2 2 325.416 1.875 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)co1 ZINC001002811677 709417556 /nfs/dbraw/zinc/41/75/56/709417556.db2.gz QAJGGLVXVMWIHO-YJBOKZPZSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)co1 ZINC001002811677 709417559 /nfs/dbraw/zinc/41/75/59/709417559.db2.gz QAJGGLVXVMWIHO-YJBOKZPZSA-N 2 2 346.475 1.938 20 0 EDADLP Cc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148220 709419540 /nfs/dbraw/zinc/41/95/40/709419540.db2.gz GSZYEYVHDZLOTB-ROUUACIJSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148220 709419541 /nfs/dbraw/zinc/41/95/41/709419541.db2.gz GSZYEYVHDZLOTB-ROUUACIJSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148220 709419542 /nfs/dbraw/zinc/41/95/42/709419542.db2.gz GSZYEYVHDZLOTB-ROUUACIJSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148220 709419543 /nfs/dbraw/zinc/41/95/43/709419543.db2.gz GSZYEYVHDZLOTB-ROUUACIJSA-N 2 2 346.475 1.191 20 0 EDADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034216952 709572558 /nfs/dbraw/zinc/57/25/58/709572558.db2.gz LXISYFMISNIOFO-PBHICJAKSA-N 2 2 349.479 1.407 20 0 EDADLP COCC[N@H+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001034216952 709572561 /nfs/dbraw/zinc/57/25/61/709572561.db2.gz LXISYFMISNIOFO-PBHICJAKSA-N 2 2 349.479 1.407 20 0 EDADLP COCC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001034216952 709572564 /nfs/dbraw/zinc/57/25/64/709572564.db2.gz LXISYFMISNIOFO-PBHICJAKSA-N 2 2 349.479 1.407 20 0 EDADLP COCC[NH+]1CCCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001034216952 709572566 /nfs/dbraw/zinc/57/25/66/709572566.db2.gz LXISYFMISNIOFO-PBHICJAKSA-N 2 2 349.479 1.407 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001002954685 709655038 /nfs/dbraw/zinc/65/50/38/709655038.db2.gz IKXCHOXTGLUCCK-KRWDZBQOSA-N 2 2 345.491 1.740 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC001002954685 709655043 /nfs/dbraw/zinc/65/50/43/709655043.db2.gz IKXCHOXTGLUCCK-KRWDZBQOSA-N 2 2 345.491 1.740 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328607 709780299 /nfs/dbraw/zinc/78/02/99/709780299.db2.gz YNEWHEBEYMTXFM-WBVHZDCISA-N 2 2 342.443 1.837 20 0 EDADLP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001034328607 709780302 /nfs/dbraw/zinc/78/03/02/709780302.db2.gz YNEWHEBEYMTXFM-WBVHZDCISA-N 2 2 342.443 1.837 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003010483 709781028 /nfs/dbraw/zinc/78/10/28/709781028.db2.gz HKZOZTQPPGUDMG-MRXNPFEDSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003010483 709781032 /nfs/dbraw/zinc/78/10/32/709781032.db2.gz HKZOZTQPPGUDMG-MRXNPFEDSA-N 2 2 349.479 1.722 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](CCCO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001034328699 709781373 /nfs/dbraw/zinc/78/13/73/709781373.db2.gz ZWDRRNCTHSEJBY-KRWDZBQOSA-N 2 2 342.443 1.839 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](CCCO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001034328699 709781376 /nfs/dbraw/zinc/78/13/76/709781376.db2.gz ZWDRRNCTHSEJBY-KRWDZBQOSA-N 2 2 342.443 1.839 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](CCCO)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC001034474077 710078574 /nfs/dbraw/zinc/07/85/74/710078574.db2.gz NICFACREQNQDKS-OAHLLOKOSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](CCCO)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC001034474077 710078580 /nfs/dbraw/zinc/07/85/80/710078580.db2.gz NICFACREQNQDKS-OAHLLOKOSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001003191910 710090216 /nfs/dbraw/zinc/09/02/16/710090216.db2.gz AEGVQRKVPOFOTI-HOTGVXAUSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC001034486556 710133636 /nfs/dbraw/zinc/13/36/36/710133636.db2.gz BCJHBMNNTBFRDO-MRXNPFEDSA-N 2 2 334.464 1.360 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC001034486556 710133639 /nfs/dbraw/zinc/13/36/39/710133639.db2.gz BCJHBMNNTBFRDO-MRXNPFEDSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cnoc2C)C1 ZINC001034502476 710142962 /nfs/dbraw/zinc/14/29/62/710142962.db2.gz GLVMILMQWHNVCH-OAHLLOKOSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cnoc2C)C1 ZINC001034502476 710142964 /nfs/dbraw/zinc/14/29/64/710142964.db2.gz GLVMILMQWHNVCH-OAHLLOKOSA-N 2 2 331.420 1.728 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003230984 710152761 /nfs/dbraw/zinc/15/27/61/710152761.db2.gz SWZWRQVXVLEQIM-KRWDZBQOSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003230984 710152764 /nfs/dbraw/zinc/15/27/64/710152764.db2.gz SWZWRQVXVLEQIM-KRWDZBQOSA-N 2 2 349.479 1.579 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](CCc2ccns2)C1 ZINC001034546691 710220554 /nfs/dbraw/zinc/22/05/54/710220554.db2.gz IHJNQEZEENXYII-CQSZACIVSA-N 2 2 333.461 1.553 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](CCc2ccns2)C1 ZINC001034546691 710220556 /nfs/dbraw/zinc/22/05/56/710220556.db2.gz IHJNQEZEENXYII-CQSZACIVSA-N 2 2 333.461 1.553 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003491474 710374099 /nfs/dbraw/zinc/37/40/99/710374099.db2.gz FEFZBAIHZAEFRA-GJZGRUSLSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001003491474 710374101 /nfs/dbraw/zinc/37/41/01/710374101.db2.gz FEFZBAIHZAEFRA-GJZGRUSLSA-N 2 2 334.464 1.794 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001003547176 710413583 /nfs/dbraw/zinc/41/35/83/710413583.db2.gz GRXGSDNLOBPTLJ-UHFFFAOYSA-N 2 2 348.495 1.029 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)cc[nH+]1 ZINC001061287708 710442600 /nfs/dbraw/zinc/44/26/00/710442600.db2.gz DTPPLQZIKPWRPE-MRXNPFEDSA-N 2 2 343.475 1.841 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001003737827 710518922 /nfs/dbraw/zinc/51/89/22/710518922.db2.gz SRBRGJZJOHHFGR-KRWDZBQOSA-N 2 2 348.495 1.159 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(C)nn2)CC1 ZINC001003737827 710518924 /nfs/dbraw/zinc/51/89/24/710518924.db2.gz SRBRGJZJOHHFGR-KRWDZBQOSA-N 2 2 348.495 1.159 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC001003739221 710519858 /nfs/dbraw/zinc/51/98/58/710519858.db2.gz AEPRJDSBZCVQDX-CYBMUJFWSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061774827 710673754 /nfs/dbraw/zinc/67/37/54/710673754.db2.gz UXECNNSLVCMVLJ-HZPDHXFCSA-N 2 2 331.464 1.520 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061774827 710673756 /nfs/dbraw/zinc/67/37/56/710673756.db2.gz UXECNNSLVCMVLJ-HZPDHXFCSA-N 2 2 331.464 1.520 20 0 EDADLP COc1ccc(C[NH+]2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001003843071 710679841 /nfs/dbraw/zinc/67/98/41/710679841.db2.gz SQLUGJNLKKTMQC-UHFFFAOYSA-N 2 2 328.416 1.742 20 0 EDADLP Cc1ncsc1CC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001003847895 710699136 /nfs/dbraw/zinc/69/91/36/710699136.db2.gz ZRVMUXPITVBFFA-UHFFFAOYSA-N 2 2 333.461 1.540 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)ccn1 ZINC001034763436 711034923 /nfs/dbraw/zinc/03/49/23/711034923.db2.gz JDTSSEZJVZZABE-SHTZXODSSA-N 2 2 343.431 1.573 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)cs1 ZINC001034764386 711040120 /nfs/dbraw/zinc/04/01/20/711040120.db2.gz SWSQSEFLCHBZCM-HDJSIYSDSA-N 2 2 347.488 1.977 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)ncn2)CC1 ZINC001034786007 711089014 /nfs/dbraw/zinc/08/90/14/711089014.db2.gz HERHLLBTEOARPX-SHTZXODSSA-N 2 2 342.447 1.576 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034786358 711091029 /nfs/dbraw/zinc/09/10/29/711091029.db2.gz NHHVESCIJQOOGV-HDJSIYSDSA-N 2 2 330.436 1.211 20 0 EDADLP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032977013 711092577 /nfs/dbraw/zinc/09/25/77/711092577.db2.gz QTQQJGHXGXXVEF-QZTJIDSGSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032977013 711092579 /nfs/dbraw/zinc/09/25/79/711092579.db2.gz QTQQJGHXGXXVEF-QZTJIDSGSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032977013 711092582 /nfs/dbraw/zinc/09/25/82/711092582.db2.gz QTQQJGHXGXXVEF-QZTJIDSGSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032977013 711092586 /nfs/dbraw/zinc/09/25/86/711092586.db2.gz QTQQJGHXGXXVEF-QZTJIDSGSA-N 2 2 349.450 1.497 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001003970538 711119695 /nfs/dbraw/zinc/11/96/95/711119695.db2.gz JNIPNZZTDXRBNX-KBPBESRZSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003970538 711119697 /nfs/dbraw/zinc/11/96/97/711119697.db2.gz JNIPNZZTDXRBNX-KBPBESRZSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003972255 711126055 /nfs/dbraw/zinc/12/60/55/711126055.db2.gz WNBQBTBSBYHNCX-KGLIPLIRSA-N 2 2 349.479 1.615 20 0 EDADLP CCc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003972255 711126058 /nfs/dbraw/zinc/12/60/58/711126058.db2.gz WNBQBTBSBYHNCX-KGLIPLIRSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cs1 ZINC001032983116 711135532 /nfs/dbraw/zinc/13/55/32/711135532.db2.gz ZSSIXVMIKKKUSO-JKSUJKDBSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)CCO3)C2)cs1 ZINC001032983116 711135538 /nfs/dbraw/zinc/13/55/38/711135538.db2.gz ZSSIXVMIKKKUSO-JKSUJKDBSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)cs1 ZINC001032983116 711135543 /nfs/dbraw/zinc/13/55/43/711135543.db2.gz ZSSIXVMIKKKUSO-JKSUJKDBSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)cs1 ZINC001032983116 711135547 /nfs/dbraw/zinc/13/55/47/711135547.db2.gz ZSSIXVMIKKKUSO-JKSUJKDBSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cs1 ZINC001032983101 711135586 /nfs/dbraw/zinc/13/55/86/711135586.db2.gz ZSSIXVMIKKKUSO-CVEARBPZSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cs1 ZINC001032983101 711135591 /nfs/dbraw/zinc/13/55/91/711135591.db2.gz ZSSIXVMIKKKUSO-CVEARBPZSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cs1 ZINC001032983101 711135594 /nfs/dbraw/zinc/13/55/94/711135594.db2.gz ZSSIXVMIKKKUSO-CVEARBPZSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cs1 ZINC001032983101 711135599 /nfs/dbraw/zinc/13/55/99/711135599.db2.gz ZSSIXVMIKKKUSO-CVEARBPZSA-N 2 2 337.489 1.420 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001003977837 711150666 /nfs/dbraw/zinc/15/06/66/711150666.db2.gz YJSJRXVYLIBEFV-CQSZACIVSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC001003977837 711150670 /nfs/dbraw/zinc/15/06/70/711150670.db2.gz YJSJRXVYLIBEFV-CQSZACIVSA-N 2 2 336.505 1.874 20 0 EDADLP CCOC1CC(C[NH+]2CCC(NC(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001004052371 711340397 /nfs/dbraw/zinc/34/03/97/711340397.db2.gz HLQTVJWLYOHSBN-UHFFFAOYSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001034890689 711346644 /nfs/dbraw/zinc/34/66/44/711346644.db2.gz FRIFISYPSQVMQK-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001034890689 711346645 /nfs/dbraw/zinc/34/66/45/711346645.db2.gz FRIFISYPSQVMQK-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001034958621 711432461 /nfs/dbraw/zinc/43/24/61/711432461.db2.gz KVVNIEXUWMWNEY-HZPDHXFCSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001034958621 711432462 /nfs/dbraw/zinc/43/24/62/711432462.db2.gz KVVNIEXUWMWNEY-HZPDHXFCSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001004150775 711566853 /nfs/dbraw/zinc/56/68/53/711566853.db2.gz DFPWUOITQJMDLQ-ZDUSSCGKSA-N 2 2 331.420 1.830 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922466946 711582362 /nfs/dbraw/zinc/58/23/62/711582362.db2.gz USJYISQXFBDXGC-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000922466946 711582363 /nfs/dbraw/zinc/58/23/63/711582363.db2.gz USJYISQXFBDXGC-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([C@H]2CCC[N@@H+]2C[C@@H]2CCOC2)CC1 ZINC001004578471 712009433 /nfs/dbraw/zinc/00/94/33/712009433.db2.gz JOAHQYFXOULTOQ-MAUKXSAKSA-N 2 2 346.475 1.692 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([C@H]2CCC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001004578471 712009435 /nfs/dbraw/zinc/00/94/35/712009435.db2.gz JOAHQYFXOULTOQ-MAUKXSAKSA-N 2 2 346.475 1.692 20 0 EDADLP CCc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061542219 712302669 /nfs/dbraw/zinc/30/26/69/712302669.db2.gz JSDDMMOZLJTYPD-HOCLYGCPSA-N 2 2 331.464 1.384 20 0 EDADLP CCc1cc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061542219 712302671 /nfs/dbraw/zinc/30/26/71/712302671.db2.gz JSDDMMOZLJTYPD-HOCLYGCPSA-N 2 2 331.464 1.384 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000417252353 282952028 /nfs/dbraw/zinc/95/20/28/282952028.db2.gz AQKIHWAZXNUFJR-ZBFHGGJFSA-N 2 2 344.525 1.011 20 0 EDADLP CN1c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc2CCC1=O ZINC000187035725 529832325 /nfs/dbraw/zinc/83/23/25/529832325.db2.gz HEYIYTMGGBUMTK-KRWDZBQOSA-N 2 2 343.471 1.750 20 0 EDADLP CN1c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc2CCC1=O ZINC000187035725 529832327 /nfs/dbraw/zinc/83/23/27/529832327.db2.gz HEYIYTMGGBUMTK-KRWDZBQOSA-N 2 2 343.471 1.750 20 0 EDADLP C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093384329 539499711 /nfs/dbraw/zinc/49/97/11/539499711.db2.gz QQRIZYPVGCJUCA-CQSZACIVSA-N 2 2 328.478 1.492 20 0 EDADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093384329 539499714 /nfs/dbraw/zinc/49/97/14/539499714.db2.gz QQRIZYPVGCJUCA-CQSZACIVSA-N 2 2 328.478 1.492 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000560820404 306279771 /nfs/dbraw/zinc/27/97/71/306279771.db2.gz BLKCEHUPUCTSTC-UHFFFAOYSA-N 2 2 342.443 1.752 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000412372821 304002642 /nfs/dbraw/zinc/00/26/42/304002642.db2.gz RACGJIQNVTYZHT-UONOGXRCSA-N 2 2 327.469 1.154 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000412372821 304002644 /nfs/dbraw/zinc/00/26/44/304002644.db2.gz RACGJIQNVTYZHT-UONOGXRCSA-N 2 2 327.469 1.154 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561191282 306283970 /nfs/dbraw/zinc/28/39/70/306283970.db2.gz CDKDTULCESCUOI-CQDKDKBSSA-N 2 2 340.830 1.967 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561191282 306283971 /nfs/dbraw/zinc/28/39/71/306283971.db2.gz CDKDTULCESCUOI-CQDKDKBSSA-N 2 2 340.830 1.967 20 0 EDADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333886499 539657565 /nfs/dbraw/zinc/65/75/65/539657565.db2.gz VZNQOVSXLGMUNR-VWSOIFEKSA-N 2 2 335.492 1.510 20 0 EDADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333886499 539657570 /nfs/dbraw/zinc/65/75/70/539657570.db2.gz VZNQOVSXLGMUNR-VWSOIFEKSA-N 2 2 335.492 1.510 20 0 EDADLP CSCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000439491809 305198538 /nfs/dbraw/zinc/19/85/38/305198538.db2.gz JDUPIDQMPYKBOV-UHFFFAOYSA-N 2 2 325.478 1.609 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000342975722 539768396 /nfs/dbraw/zinc/76/83/96/539768396.db2.gz JKPKLRVENLDICF-AWEZNQCLSA-N 2 2 345.447 1.105 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000561748664 306290585 /nfs/dbraw/zinc/29/05/85/306290585.db2.gz OLHQSJCKHUSQOE-UKRRQHHQSA-N 2 2 326.404 1.361 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000562370469 306296707 /nfs/dbraw/zinc/29/67/07/306296707.db2.gz LWOPSWCWYLYBGP-CABCVRRESA-N 2 2 327.432 1.798 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000562443664 306298806 /nfs/dbraw/zinc/29/88/06/306298806.db2.gz MTZDEVBNRZAXJD-KRWDZBQOSA-N 2 2 337.439 1.286 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000562443664 306298807 /nfs/dbraw/zinc/29/88/07/306298807.db2.gz MTZDEVBNRZAXJD-KRWDZBQOSA-N 2 2 337.439 1.286 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000562443664 306298808 /nfs/dbraw/zinc/29/88/08/306298808.db2.gz MTZDEVBNRZAXJD-KRWDZBQOSA-N 2 2 337.439 1.286 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000562443664 306298809 /nfs/dbraw/zinc/29/88/09/306298809.db2.gz MTZDEVBNRZAXJD-KRWDZBQOSA-N 2 2 337.439 1.286 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412692205 304027206 /nfs/dbraw/zinc/02/72/06/304027206.db2.gz CWZROHWFMDBELX-MSOLQXFVSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412692205 304027207 /nfs/dbraw/zinc/02/72/07/304027207.db2.gz CWZROHWFMDBELX-MSOLQXFVSA-N 2 2 345.487 1.688 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000412693301 304027526 /nfs/dbraw/zinc/02/75/26/304027526.db2.gz FMLCLAYKFKLIGQ-GOSISDBHSA-N 2 2 344.503 1.357 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000412693301 304027527 /nfs/dbraw/zinc/02/75/27/304027527.db2.gz FMLCLAYKFKLIGQ-GOSISDBHSA-N 2 2 344.503 1.357 20 0 EDADLP CCN1CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000354268276 539941075 /nfs/dbraw/zinc/94/10/75/539941075.db2.gz WLYSUOLSGPLGDY-GJZGRUSLSA-N 2 2 336.484 1.528 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)CC1 ZINC000562950199 306313452 /nfs/dbraw/zinc/31/34/52/306313452.db2.gz CILINJMLUOVNNZ-INIZCTEOSA-N 2 2 347.507 1.542 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)c3cnn(C)c3)CC2)CC1 ZINC000562950199 306313453 /nfs/dbraw/zinc/31/34/53/306313453.db2.gz CILINJMLUOVNNZ-INIZCTEOSA-N 2 2 347.507 1.542 20 0 EDADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000368199432 303798824 /nfs/dbraw/zinc/79/88/24/303798824.db2.gz GCJWEIXCCXURBA-JYJNAYRXSA-N 2 2 337.464 1.593 20 0 EDADLP COC1CC[NH+](CC[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000163620767 540055352 /nfs/dbraw/zinc/05/53/52/540055352.db2.gz HJCMOIGPIAJOEG-CQSZACIVSA-N 2 2 330.436 1.424 20 0 EDADLP C[C@H](CNC(=O)NCc1c[nH+]cn1C)[N@@H+]1CCc2ccccc2C1 ZINC000291103177 540091024 /nfs/dbraw/zinc/09/10/24/540091024.db2.gz KSRDUZQKJRJIDO-CQSZACIVSA-N 2 2 327.432 1.666 20 0 EDADLP C[C@H](CNC(=O)NCc1c[nH+]cn1C)[N@H+]1CCc2ccccc2C1 ZINC000291103177 540091026 /nfs/dbraw/zinc/09/10/26/540091026.db2.gz KSRDUZQKJRJIDO-CQSZACIVSA-N 2 2 327.432 1.666 20 0 EDADLP Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180907148 540122884 /nfs/dbraw/zinc/12/28/84/540122884.db2.gz DMSIJFBTLXPFFE-CYBMUJFWSA-N 2 2 329.448 1.860 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000181802798 540128880 /nfs/dbraw/zinc/12/88/80/540128880.db2.gz MRLHGLCSNLRQOM-CVEARBPZSA-N 2 2 339.443 1.865 20 0 EDADLP CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563347937 306328659 /nfs/dbraw/zinc/32/86/59/306328659.db2.gz CRSMFZGZJRIYAG-UHFFFAOYSA-N 2 2 345.422 1.720 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[NH+](Cc3cccs3)CC2)nc[nH+]1 ZINC000413028626 304050592 /nfs/dbraw/zinc/05/05/92/304050592.db2.gz QBTMBXYUKIKRKS-ZDUSSCGKSA-N 2 2 333.461 1.653 20 0 EDADLP COc1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1OC(F)F ZINC000563430461 306332738 /nfs/dbraw/zinc/33/27/38/306332738.db2.gz CHKSWBIRQKWISZ-NWDGAFQWSA-N 2 2 341.358 1.040 20 0 EDADLP COc1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1OC(F)F ZINC000563430461 306332739 /nfs/dbraw/zinc/33/27/39/306332739.db2.gz CHKSWBIRQKWISZ-NWDGAFQWSA-N 2 2 341.358 1.040 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246745030 291089965 /nfs/dbraw/zinc/08/99/65/291089965.db2.gz MYDZYMGTHCTLDZ-CVEARBPZSA-N 2 2 339.480 1.108 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246745030 291089966 /nfs/dbraw/zinc/08/99/66/291089966.db2.gz MYDZYMGTHCTLDZ-CVEARBPZSA-N 2 2 339.480 1.108 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@@H]1CCCO1 ZINC000076297962 138247922 /nfs/dbraw/zinc/24/79/22/138247922.db2.gz GIHKVFPINUDMDE-HOTGVXAUSA-N 2 2 332.448 1.230 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000076297962 138247923 /nfs/dbraw/zinc/24/79/23/138247923.db2.gz GIHKVFPINUDMDE-HOTGVXAUSA-N 2 2 332.448 1.230 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000090003915 138277217 /nfs/dbraw/zinc/27/72/17/138277217.db2.gz YMWIPKMYNDZXSK-CYBMUJFWSA-N 2 2 326.404 1.211 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000090003915 138277218 /nfs/dbraw/zinc/27/72/18/138277218.db2.gz YMWIPKMYNDZXSK-CYBMUJFWSA-N 2 2 326.404 1.211 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)n2c1 ZINC000093047272 138291232 /nfs/dbraw/zinc/29/12/32/138291232.db2.gz KSUMLJIUILEDCW-UHFFFAOYSA-N 2 2 341.459 1.383 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000093132693 138291825 /nfs/dbraw/zinc/29/18/25/138291825.db2.gz IOZMPGBHIYFOEA-CQSZACIVSA-N 2 2 339.915 1.848 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000093132693 138291826 /nfs/dbraw/zinc/29/18/26/138291826.db2.gz IOZMPGBHIYFOEA-CQSZACIVSA-N 2 2 339.915 1.848 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(OCCc3ccccc3)CC2)CC1 ZINC000093168537 138292259 /nfs/dbraw/zinc/29/22/59/138292259.db2.gz UGTJDNAIUIVAMP-UHFFFAOYSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C2)[nH+]1 ZINC000108858390 138305509 /nfs/dbraw/zinc/30/55/09/138305509.db2.gz HPDRKQINRPDCNZ-CQSZACIVSA-N 2 2 338.415 1.660 20 0 EDADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C2)[nH+]1 ZINC000108858390 138305510 /nfs/dbraw/zinc/30/55/10/138305510.db2.gz HPDRKQINRPDCNZ-CQSZACIVSA-N 2 2 338.415 1.660 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124855883 138330049 /nfs/dbraw/zinc/33/00/49/138330049.db2.gz KQKQWMIOBQIFMD-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124855883 138330050 /nfs/dbraw/zinc/33/00/50/138330050.db2.gz KQKQWMIOBQIFMD-ZWKOTPCHSA-N 2 2 336.524 1.489 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000123562883 138319385 /nfs/dbraw/zinc/31/93/85/138319385.db2.gz SXGIQSRABMVUDW-AWEZNQCLSA-N 2 2 347.463 1.395 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000123562883 138319386 /nfs/dbraw/zinc/31/93/86/138319386.db2.gz SXGIQSRABMVUDW-AWEZNQCLSA-N 2 2 347.463 1.395 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000123615802 138319866 /nfs/dbraw/zinc/31/98/66/138319866.db2.gz AYUDSXPYTUEMGA-HNNXBMFYSA-N 2 2 327.432 1.386 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000123615802 138319867 /nfs/dbraw/zinc/31/98/67/138319867.db2.gz AYUDSXPYTUEMGA-HNNXBMFYSA-N 2 2 327.432 1.386 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123974449 138322740 /nfs/dbraw/zinc/32/27/40/138322740.db2.gz XGPHBFDSYGNAJZ-NVXWUHKLSA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123974449 138322741 /nfs/dbraw/zinc/32/27/41/138322741.db2.gz XGPHBFDSYGNAJZ-NVXWUHKLSA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123974449 138322742 /nfs/dbraw/zinc/32/27/42/138322742.db2.gz XGPHBFDSYGNAJZ-NVXWUHKLSA-N 2 2 333.476 1.768 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123974449 138322743 /nfs/dbraw/zinc/32/27/43/138322743.db2.gz XGPHBFDSYGNAJZ-NVXWUHKLSA-N 2 2 333.476 1.768 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000130436528 138341364 /nfs/dbraw/zinc/34/13/64/138341364.db2.gz JPDMQSIXEGTNNQ-CVEARBPZSA-N 2 2 346.475 1.848 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000130436528 138341365 /nfs/dbraw/zinc/34/13/65/138341365.db2.gz JPDMQSIXEGTNNQ-CVEARBPZSA-N 2 2 346.475 1.848 20 0 EDADLP COc1cccc(OCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131371877 138358084 /nfs/dbraw/zinc/35/80/84/138358084.db2.gz HZTKDTUGEDHOBK-SFHVURJKSA-N 2 2 347.459 1.488 20 0 EDADLP COc1cccc(OCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131371877 138358085 /nfs/dbraw/zinc/35/80/85/138358085.db2.gz HZTKDTUGEDHOBK-SFHVURJKSA-N 2 2 347.459 1.488 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000332611400 295958665 /nfs/dbraw/zinc/95/86/65/295958665.db2.gz PHFRFABCMFKFFS-SOLBZPMBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000565710390 306389328 /nfs/dbraw/zinc/38/93/28/306389328.db2.gz MFJFCONELRPZPJ-SWLSCSKDSA-N 2 2 341.452 1.596 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000565776496 306391352 /nfs/dbraw/zinc/39/13/52/306391352.db2.gz KDVPOALZUBDSDD-CYBMUJFWSA-N 2 2 349.479 1.937 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000566192340 306402806 /nfs/dbraw/zinc/40/28/06/306402806.db2.gz LIKFUZNSDDWIMJ-GJZGRUSLSA-N 2 2 344.463 1.287 20 0 EDADLP C[N@H+](CCNS(=O)(=O)c1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860014 203325863 /nfs/dbraw/zinc/32/58/63/203325863.db2.gz KSDYSRUZASKUKN-INIZCTEOSA-N 2 2 339.505 1.771 20 0 EDADLP C[N@@H+](CCNS(=O)(=O)c1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860014 203325867 /nfs/dbraw/zinc/32/58/67/203325867.db2.gz KSDYSRUZASKUKN-INIZCTEOSA-N 2 2 339.505 1.771 20 0 EDADLP C[NH+](CCNS(=O)(=O)c1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860014 203325870 /nfs/dbraw/zinc/32/58/70/203325870.db2.gz KSDYSRUZASKUKN-INIZCTEOSA-N 2 2 339.505 1.771 20 0 EDADLP C[NH+](CCNS(=O)(=O)c1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000075860014 203325873 /nfs/dbraw/zinc/32/58/73/203325873.db2.gz KSDYSRUZASKUKN-INIZCTEOSA-N 2 2 339.505 1.771 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1OC ZINC000415032678 304152609 /nfs/dbraw/zinc/15/26/09/304152609.db2.gz GIJHBFXFELPWLH-MRXNPFEDSA-N 2 2 335.448 1.440 20 0 EDADLP C[N@@H+](Cc1cccc(Br)c1OC(F)F)C[C@@H](O)C[NH3+] ZINC000415072063 304157422 /nfs/dbraw/zinc/15/74/22/304157422.db2.gz VGNXEIPNXJCDIK-VIFPVBQESA-N 2 2 339.180 1.802 20 0 EDADLP C[N@H+](Cc1cccc(Br)c1OC(F)F)C[C@@H](O)C[NH3+] ZINC000415072063 304157424 /nfs/dbraw/zinc/15/74/24/304157424.db2.gz VGNXEIPNXJCDIK-VIFPVBQESA-N 2 2 339.180 1.802 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000415118962 304161274 /nfs/dbraw/zinc/16/12/74/304161274.db2.gz KEOXFEMHVOJPEQ-GOSISDBHSA-N 2 2 330.476 1.002 20 0 EDADLP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000105077487 204132157 /nfs/dbraw/zinc/13/21/57/204132157.db2.gz SVLOUDYTTHSFEO-KKUMJFAQSA-N 2 2 338.452 1.291 20 0 EDADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000152360684 204285324 /nfs/dbraw/zinc/28/53/24/204285324.db2.gz WJRHPEJRDSKFDS-HLLBOEOZSA-N 2 2 331.464 1.960 20 0 EDADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000152360684 204285326 /nfs/dbraw/zinc/28/53/26/204285326.db2.gz WJRHPEJRDSKFDS-HLLBOEOZSA-N 2 2 331.464 1.960 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000111823119 204375726 /nfs/dbraw/zinc/37/57/26/204375726.db2.gz SONTUUACODYSFU-UHFFFAOYSA-N 2 2 349.479 1.556 20 0 EDADLP C[C@H]1OCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000125346421 205005548 /nfs/dbraw/zinc/00/55/48/205005548.db2.gz IVHRJMHXJQQCIA-XOKHGSTOSA-N 2 2 328.416 1.095 20 0 EDADLP CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000496375424 284349375 /nfs/dbraw/zinc/34/93/75/284349375.db2.gz OKKTZPOMVKBZMG-HOTGVXAUSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000496375424 284349381 /nfs/dbraw/zinc/34/93/81/284349381.db2.gz OKKTZPOMVKBZMG-HOTGVXAUSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000496375424 284349384 /nfs/dbraw/zinc/34/93/84/284349384.db2.gz OKKTZPOMVKBZMG-HOTGVXAUSA-N 2 2 329.485 1.632 20 0 EDADLP CCN(CC)C(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000496375424 284349388 /nfs/dbraw/zinc/34/93/88/284349388.db2.gz OKKTZPOMVKBZMG-HOTGVXAUSA-N 2 2 329.485 1.632 20 0 EDADLP CC(C)C[NH+]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000156840064 205130149 /nfs/dbraw/zinc/13/01/49/205130149.db2.gz UAAVETUPLONLAI-INIZCTEOSA-N 2 2 333.480 1.463 20 0 EDADLP CC(C)C[NH+]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000156840212 205130641 /nfs/dbraw/zinc/13/06/41/205130641.db2.gz UAAVETUPLONLAI-MRXNPFEDSA-N 2 2 333.480 1.463 20 0 EDADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1ccc(F)cc1 ZINC000129316077 205189392 /nfs/dbraw/zinc/18/93/92/205189392.db2.gz YFZDVIAUYRJKLT-HNNXBMFYSA-N 2 2 335.423 1.808 20 0 EDADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)Nc1ccc(F)cc1 ZINC000129316077 205189393 /nfs/dbraw/zinc/18/93/93/205189393.db2.gz YFZDVIAUYRJKLT-HNNXBMFYSA-N 2 2 335.423 1.808 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(CCn3cc[nH+]c3)CC2)c1 ZINC000131751073 205302281 /nfs/dbraw/zinc/30/22/81/205302281.db2.gz KVLSGSILTHZVAN-UHFFFAOYSA-N 2 2 330.432 1.588 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C3([NH3+])CCCC3)c[nH+]2)C[C@H](C)O1 ZINC000237660044 139057186 /nfs/dbraw/zinc/05/71/86/139057186.db2.gz MNUFMDWKXPTGQG-KBPBESRZSA-N 2 2 332.448 1.583 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000237783371 139060272 /nfs/dbraw/zinc/06/02/72/139060272.db2.gz ODBXGYLYNIYPQJ-ZWKOTPCHSA-N 2 2 331.460 1.627 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000111847354 220208340 /nfs/dbraw/zinc/20/83/40/220208340.db2.gz VNYCAAMIGAVKTG-OAHLLOKOSA-N 2 2 337.468 1.191 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000245814284 139086769 /nfs/dbraw/zinc/08/67/69/139086769.db2.gz QHKYLCYZHMPCCD-OALUTQOASA-N 2 2 342.487 1.504 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000245814284 139086770 /nfs/dbraw/zinc/08/67/70/139086770.db2.gz QHKYLCYZHMPCCD-OALUTQOASA-N 2 2 342.487 1.504 20 0 EDADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246287006 139102567 /nfs/dbraw/zinc/10/25/67/139102567.db2.gz BXNQECRAKTXZHU-YESZJQIVSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246303931 139103157 /nfs/dbraw/zinc/10/31/57/139103157.db2.gz CLZXDXCWLTWDRA-IKGGRYGDSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246303931 139103158 /nfs/dbraw/zinc/10/31/58/139103158.db2.gz CLZXDXCWLTWDRA-IKGGRYGDSA-N 2 2 325.497 1.581 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246350647 139105011 /nfs/dbraw/zinc/10/50/11/139105011.db2.gz JXQRVJNHJIXLII-PMPSAXMXSA-N 2 2 338.496 1.807 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246350647 139105012 /nfs/dbraw/zinc/10/50/12/139105012.db2.gz JXQRVJNHJIXLII-PMPSAXMXSA-N 2 2 338.496 1.807 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246350647 139105013 /nfs/dbraw/zinc/10/50/13/139105013.db2.gz JXQRVJNHJIXLII-PMPSAXMXSA-N 2 2 338.496 1.807 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246350647 139105014 /nfs/dbraw/zinc/10/50/14/139105014.db2.gz JXQRVJNHJIXLII-PMPSAXMXSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[N@@H+]1C1CC1 ZINC000246385508 139106490 /nfs/dbraw/zinc/10/64/90/139106490.db2.gz JJXPBCCBJRADMY-HHXXYDBFSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C[N@H+]1C1CC1 ZINC000246385508 139106491 /nfs/dbraw/zinc/10/64/91/139106491.db2.gz JJXPBCCBJRADMY-HHXXYDBFSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C[NH+]1C1CC1 ZINC000246385508 139106492 /nfs/dbraw/zinc/10/64/92/139106492.db2.gz JJXPBCCBJRADMY-HHXXYDBFSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C[NH+]1C1CC1 ZINC000246385508 139106493 /nfs/dbraw/zinc/10/64/93/139106493.db2.gz JJXPBCCBJRADMY-HHXXYDBFSA-N 2 2 343.471 1.629 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415305112 304189599 /nfs/dbraw/zinc/18/95/99/304189599.db2.gz QXXVQEPGDLUREM-AWEZNQCLSA-N 2 2 335.452 1.722 20 0 EDADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246715614 139118412 /nfs/dbraw/zinc/11/84/12/139118412.db2.gz LJGNZPUDIFNYKE-UMQBVGHOSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246715614 139118413 /nfs/dbraw/zinc/11/84/13/139118413.db2.gz LJGNZPUDIFNYKE-UMQBVGHOSA-N 2 2 337.508 1.724 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000568149682 306473385 /nfs/dbraw/zinc/47/33/85/306473385.db2.gz WLZYZJIIHMUNLB-CQSZACIVSA-N 2 2 327.375 1.160 20 0 EDADLP Cc1cc(=O)n(C)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000161839926 206372377 /nfs/dbraw/zinc/37/23/77/206372377.db2.gz KXBMCQASELYDHG-UHFFFAOYSA-N 2 2 349.479 1.183 20 0 EDADLP Cc1cc(=O)n(C)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000161839926 206372380 /nfs/dbraw/zinc/37/23/80/206372380.db2.gz KXBMCQASELYDHG-UHFFFAOYSA-N 2 2 349.479 1.183 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568487750 306482537 /nfs/dbraw/zinc/48/25/37/306482537.db2.gz AISMPNSISXLHJS-UONOGXRCSA-N 2 2 341.415 1.121 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)c1c(F)cccc1F ZINC000247255774 139142577 /nfs/dbraw/zinc/14/25/77/139142577.db2.gz PXORZNHXWNKVRF-IUODEOHRSA-N 2 2 340.418 1.961 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)c1c(F)cccc1F ZINC000247255774 139142578 /nfs/dbraw/zinc/14/25/78/139142578.db2.gz PXORZNHXWNKVRF-IUODEOHRSA-N 2 2 340.418 1.961 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000568641815 306486008 /nfs/dbraw/zinc/48/60/08/306486008.db2.gz RFCFEBULWISMLR-DOTOQJQBSA-N 2 2 325.497 1.866 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247700453 139154202 /nfs/dbraw/zinc/15/42/02/139154202.db2.gz UOPJIQPSMZBXPB-BRWVUGGUSA-N 2 2 349.479 1.586 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247700453 139154203 /nfs/dbraw/zinc/15/42/03/139154203.db2.gz UOPJIQPSMZBXPB-BRWVUGGUSA-N 2 2 349.479 1.586 20 0 EDADLP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000362798239 284724207 /nfs/dbraw/zinc/72/42/07/284724207.db2.gz PPNGKSLCCIWHKP-ZIAGYGMSSA-N 2 2 328.420 1.551 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000091759147 218061671 /nfs/dbraw/zinc/06/16/71/218061671.db2.gz AEUGFXHPIYEMFS-NJAFHUGGSA-N 2 2 345.491 1.953 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248759844 139174493 /nfs/dbraw/zinc/17/44/93/139174493.db2.gz XPTWXRKJNHYNLG-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248759844 139174494 /nfs/dbraw/zinc/17/44/94/139174494.db2.gz XPTWXRKJNHYNLG-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248759844 139174495 /nfs/dbraw/zinc/17/44/95/139174495.db2.gz XPTWXRKJNHYNLG-QZTJIDSGSA-N 2 2 331.460 1.440 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@@]4(CCOC4)C3)c2cc1C ZINC000249057363 139184153 /nfs/dbraw/zinc/18/41/53/139184153.db2.gz XVSLONNNNKLBPW-LPHOPBHVSA-N 2 2 345.443 1.505 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@@]4(CCOC4)C3)c2cc1C ZINC000249057363 139184154 /nfs/dbraw/zinc/18/41/54/139184154.db2.gz XVSLONNNNKLBPW-LPHOPBHVSA-N 2 2 345.443 1.505 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000249822328 139199096 /nfs/dbraw/zinc/19/90/96/139199096.db2.gz HJHBSKYETKSUFK-FMKPAKJESA-N 2 2 332.448 1.311 20 0 EDADLP Brc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000261582417 139209196 /nfs/dbraw/zinc/20/91/96/139209196.db2.gz RELLTCKEXXMTHL-LLVKDONJSA-N 2 2 330.295 1.990 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261632592 139212912 /nfs/dbraw/zinc/21/29/12/139212912.db2.gz FNTMEBJRTZDDAN-FZKQIMNGSA-N 2 2 335.448 1.552 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261632592 139212913 /nfs/dbraw/zinc/21/29/13/139212913.db2.gz FNTMEBJRTZDDAN-FZKQIMNGSA-N 2 2 335.448 1.552 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(Cl)c1OCC(N)=O ZINC000261720527 139220322 /nfs/dbraw/zinc/22/03/22/139220322.db2.gz LVDWBVPTZFHJAA-ZWNOBZJWSA-N 2 2 341.839 1.382 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(Cl)c1OCC(N)=O ZINC000261720527 139220323 /nfs/dbraw/zinc/22/03/23/139220323.db2.gz LVDWBVPTZFHJAA-ZWNOBZJWSA-N 2 2 341.839 1.382 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000261751510 139223046 /nfs/dbraw/zinc/22/30/46/139223046.db2.gz CFTFIJPORSWHPZ-VIFPVBQESA-N 2 2 336.383 1.449 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000261751510 139223047 /nfs/dbraw/zinc/22/30/47/139223047.db2.gz CFTFIJPORSWHPZ-VIFPVBQESA-N 2 2 336.383 1.449 20 0 EDADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000261800180 139227259 /nfs/dbraw/zinc/22/72/59/139227259.db2.gz ZXWZBDBYGAZKDS-ULQDDVLXSA-N 2 2 344.459 1.455 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000261802522 139227393 /nfs/dbraw/zinc/22/73/93/139227393.db2.gz VYRWTXMYXMBMFV-KRWDZBQOSA-N 2 2 332.473 1.626 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000261802522 139227394 /nfs/dbraw/zinc/22/73/94/139227394.db2.gz VYRWTXMYXMBMFV-KRWDZBQOSA-N 2 2 332.473 1.626 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCCc2cn(C)c[nH+]2)n1 ZINC000413385968 250752689 /nfs/dbraw/zinc/75/26/89/250752689.db2.gz TXYASBCIYYSSAD-RDJZCZTQSA-N 2 2 344.463 1.324 20 0 EDADLP C[C@@]1(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]C1 ZINC000261885168 139233965 /nfs/dbraw/zinc/23/39/65/139233965.db2.gz RSCPDMCUDGFTDN-JKSUJKDBSA-N 2 2 329.510 1.312 20 0 EDADLP C[C@@]1(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]C1 ZINC000261885168 139233966 /nfs/dbraw/zinc/23/39/66/139233966.db2.gz RSCPDMCUDGFTDN-JKSUJKDBSA-N 2 2 329.510 1.312 20 0 EDADLP CN(Cc1ccccc1)C(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261934646 139238312 /nfs/dbraw/zinc/23/83/12/139238312.db2.gz LYJKMSKHGSTEBY-SFHVURJKSA-N 2 2 330.476 1.856 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000261964599 139240432 /nfs/dbraw/zinc/24/04/32/139240432.db2.gz YDKYLAZMHJDTGC-BZSNNMDCSA-N 2 2 328.460 1.647 20 0 EDADLP c1cn(-c2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000261991369 139242229 /nfs/dbraw/zinc/24/22/29/139242229.db2.gz SSSQPQYRKKFUGM-BRWVUGGUSA-N 3 2 327.432 1.514 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000569334894 306503972 /nfs/dbraw/zinc/50/39/72/306503972.db2.gz RKBWDHUKCFPOSE-MRXNPFEDSA-N 2 2 348.495 1.155 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000417770033 251262571 /nfs/dbraw/zinc/26/25/71/251262571.db2.gz FAMVMCDEJYUVGV-ZIAGYGMSSA-N 2 2 349.483 1.304 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000417770033 251262574 /nfs/dbraw/zinc/26/25/74/251262574.db2.gz FAMVMCDEJYUVGV-ZIAGYGMSSA-N 2 2 349.483 1.304 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417823359 251284088 /nfs/dbraw/zinc/28/40/88/251284088.db2.gz JRNZCSUNYSXSCK-BFHYXJOUSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417823359 251284091 /nfs/dbraw/zinc/28/40/91/251284091.db2.gz JRNZCSUNYSXSCK-BFHYXJOUSA-N 2 2 340.493 1.546 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000176347201 207217903 /nfs/dbraw/zinc/21/79/03/207217903.db2.gz BEXISYXIBJJARV-HNNXBMFYSA-N 2 2 327.432 1.975 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000176347201 207217905 /nfs/dbraw/zinc/21/79/05/207217905.db2.gz BEXISYXIBJJARV-HNNXBMFYSA-N 2 2 327.432 1.975 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCCO1 ZINC000418113885 251328658 /nfs/dbraw/zinc/32/86/58/251328658.db2.gz KHXDZGRXCUWPEU-ZIAGYGMSSA-N 2 2 348.438 1.031 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCCO1 ZINC000418113885 251328664 /nfs/dbraw/zinc/32/86/64/251328664.db2.gz KHXDZGRXCUWPEU-ZIAGYGMSSA-N 2 2 348.438 1.031 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000418475784 251374359 /nfs/dbraw/zinc/37/43/59/251374359.db2.gz RKEJTHRWTBQQOA-HOTGVXAUSA-N 2 2 348.491 1.896 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000418475784 251374363 /nfs/dbraw/zinc/37/43/63/251374363.db2.gz RKEJTHRWTBQQOA-HOTGVXAUSA-N 2 2 348.491 1.896 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418723254 251398860 /nfs/dbraw/zinc/39/88/60/251398860.db2.gz IWPODVDIXWAYME-LSDHHAIUSA-N 2 2 344.450 1.891 20 0 EDADLP CC(C)C(=O)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177285380 207316794 /nfs/dbraw/zinc/31/67/94/207316794.db2.gz GQTCACIQSBICRY-UHFFFAOYSA-N 2 2 327.432 1.958 20 0 EDADLP CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177285380 207316798 /nfs/dbraw/zinc/31/67/98/207316798.db2.gz GQTCACIQSBICRY-UHFFFAOYSA-N 2 2 327.432 1.958 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCCCNc2cccc[nH+]2)C1(C)C ZINC000262794155 139303968 /nfs/dbraw/zinc/30/39/68/139303968.db2.gz PEGXZIDOWNARSY-KBXCAEBGSA-N 2 2 334.464 1.922 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000262798043 139304431 /nfs/dbraw/zinc/30/44/31/139304431.db2.gz DUPBHWSVSZDBLE-XJKSGUPXSA-N 2 2 339.867 1.909 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422236676 251913581 /nfs/dbraw/zinc/91/35/81/251913581.db2.gz HRNVUTKVROUSMF-QQFBHYJXSA-N 2 2 326.485 1.221 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262841402 139307231 /nfs/dbraw/zinc/30/72/31/139307231.db2.gz UAZYSEROPRIFNM-GJZGRUSLSA-N 2 2 340.431 1.211 20 0 EDADLP COc1cc(OC)c(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c(OC)c1 ZINC000422885810 252011749 /nfs/dbraw/zinc/01/17/49/252011749.db2.gz HFIGAOIOMUDZMF-KGLIPLIRSA-N 2 2 338.448 1.612 20 0 EDADLP COc1cc(CN2CC[C@H]([NH2+][C@H]3C[NH2+]CC[C@H]3C)C2)cc(OC)c1 ZINC000422860346 252001330 /nfs/dbraw/zinc/00/13/30/252001330.db2.gz IDBQAUYTYWJWPZ-ALKREAHSSA-N 2 2 333.476 1.866 20 0 EDADLP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422864646 252005197 /nfs/dbraw/zinc/00/51/97/252005197.db2.gz NKTKCRJBGIECKJ-XKQJLSEDSA-N 2 2 337.414 1.900 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423070471 252033062 /nfs/dbraw/zinc/03/30/62/252033062.db2.gz CSDYWTNTYNVOFF-XJKSGUPXSA-N 2 2 326.462 1.194 20 0 EDADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423773324 252069558 /nfs/dbraw/zinc/06/95/58/252069558.db2.gz LPXMPJOKHSXESE-MRXNPFEDSA-N 2 2 341.459 1.644 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000422903834 252018464 /nfs/dbraw/zinc/01/84/64/252018464.db2.gz PBESVRDWRDOSHS-DOTOQJQBSA-N 2 2 346.406 1.703 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000423790607 252075240 /nfs/dbraw/zinc/07/52/40/252075240.db2.gz UHKDWWMRFOBGBS-VGWMRTNUSA-N 2 2 337.464 1.003 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)cc[nH+]1 ZINC000423789734 252075689 /nfs/dbraw/zinc/07/56/89/252075689.db2.gz XARPYBBPAFOMPT-INIZCTEOSA-N 2 2 343.406 1.315 20 0 EDADLP Cc1noc([C@@H](C)N2CC[NH+](C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)n1 ZINC000424278366 252187965 /nfs/dbraw/zinc/18/79/65/252187965.db2.gz DEQDQWGZDLMHDP-CZUORRHYSA-N 2 2 347.438 1.938 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000424279514 252190418 /nfs/dbraw/zinc/19/04/18/252190418.db2.gz GMXQUYIRRAMPHF-OPQOLIRYSA-N 2 2 332.444 1.553 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)C1 ZINC000424279514 252190421 /nfs/dbraw/zinc/19/04/21/252190421.db2.gz GMXQUYIRRAMPHF-OPQOLIRYSA-N 2 2 332.444 1.553 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H](C(N)=O)c2ccccc2)[C@H](C)C1 ZINC000177778677 207396797 /nfs/dbraw/zinc/39/67/97/207396797.db2.gz RXYFTUBGVVSZTM-NXHRZFHOSA-N 2 2 333.476 1.940 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H](C(N)=O)c2ccccc2)[C@H](C)C1 ZINC000177778677 207396802 /nfs/dbraw/zinc/39/68/02/207396802.db2.gz RXYFTUBGVVSZTM-NXHRZFHOSA-N 2 2 333.476 1.940 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000420238299 296339774 /nfs/dbraw/zinc/33/97/74/296339774.db2.gz KNSVKYKHWZTHNX-LLVKDONJSA-N 2 2 339.237 1.245 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000365403719 285066288 /nfs/dbraw/zinc/06/62/88/285066288.db2.gz HMDFDPCXZIFFRC-CYBMUJFWSA-N 2 2 334.445 1.308 20 0 EDADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263263892 139331806 /nfs/dbraw/zinc/33/18/06/139331806.db2.gz RGIUTDZHSQSLMO-NSHGMRRFSA-N 2 2 345.487 1.911 20 0 EDADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263263892 139331807 /nfs/dbraw/zinc/33/18/07/139331807.db2.gz RGIUTDZHSQSLMO-NSHGMRRFSA-N 2 2 345.487 1.911 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[NH+]2CCCC2)o1 ZINC000263319158 139335694 /nfs/dbraw/zinc/33/56/94/139335694.db2.gz ZYUDHBFCKSOPPD-QWHCGFSZSA-N 2 2 327.375 1.838 20 0 EDADLP COC[C@]1(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CC[NH2+]C1 ZINC000570165767 306532229 /nfs/dbraw/zinc/53/22/29/306532229.db2.gz BGVFBYIBPCHQPN-IBGZPJMESA-N 2 2 347.459 1.392 20 0 EDADLP COc1cc(C)cnc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000490034841 255076040 /nfs/dbraw/zinc/07/60/40/255076040.db2.gz OTSGNGRNUUGQPV-UHFFFAOYSA-N 2 2 334.464 1.497 20 0 EDADLP COc1cc(C)cnc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000490034841 255076042 /nfs/dbraw/zinc/07/60/42/255076042.db2.gz OTSGNGRNUUGQPV-UHFFFAOYSA-N 2 2 334.464 1.497 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC000491876446 255153932 /nfs/dbraw/zinc/15/39/32/255153932.db2.gz YXONUZCDRPOZKW-CABCVRRESA-N 2 2 338.452 1.292 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC000491876446 255153933 /nfs/dbraw/zinc/15/39/33/255153933.db2.gz YXONUZCDRPOZKW-CABCVRRESA-N 2 2 338.452 1.292 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000493715958 255220186 /nfs/dbraw/zinc/22/01/86/255220186.db2.gz BKPZOCPSYFLNOS-MIVXPEEVSA-N 2 2 332.448 1.628 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493121986 255192758 /nfs/dbraw/zinc/19/27/58/255192758.db2.gz SPWLCTIZGDSIRX-LKCQJKFCSA-N 2 2 342.447 1.698 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493121986 255192759 /nfs/dbraw/zinc/19/27/59/255192759.db2.gz SPWLCTIZGDSIRX-LKCQJKFCSA-N 2 2 342.447 1.698 20 0 EDADLP CCOc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OCC ZINC000493292875 255201917 /nfs/dbraw/zinc/20/19/17/255201917.db2.gz OVDDNVHOIHHRHK-MNDMWVCDSA-N 2 2 347.459 1.599 20 0 EDADLP CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OCC ZINC000493292875 255201918 /nfs/dbraw/zinc/20/19/18/255201918.db2.gz OVDDNVHOIHHRHK-MNDMWVCDSA-N 2 2 347.459 1.599 20 0 EDADLP C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000494226644 255242567 /nfs/dbraw/zinc/24/25/67/255242567.db2.gz JAQBINFXUKUTRR-YOEHRIQHSA-N 2 2 337.489 1.549 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000494469278 255251670 /nfs/dbraw/zinc/25/16/70/255251670.db2.gz DFEMXBFNMGRBER-WMZOPIPTSA-N 2 2 343.471 1.349 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000494469278 255251671 /nfs/dbraw/zinc/25/16/71/255251671.db2.gz DFEMXBFNMGRBER-WMZOPIPTSA-N 2 2 343.471 1.349 20 0 EDADLP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@H](OCC3CC3)C1)C[NH+]1CCC2CC1 ZINC000495860245 255333069 /nfs/dbraw/zinc/33/30/69/255333069.db2.gz XVCKSAKTSKSXJG-PKOBYXMFSA-N 2 2 349.475 1.752 20 0 EDADLP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@H](OCC3CC3)C1)C[NH+]1CCC2CC1 ZINC000495860245 255333070 /nfs/dbraw/zinc/33/30/70/255333070.db2.gz XVCKSAKTSKSXJG-PKOBYXMFSA-N 2 2 349.475 1.752 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@H]3CN(C)C(=O)O3)CC2)nc(C(C)C)[nH+]1 ZINC000496307003 255378603 /nfs/dbraw/zinc/37/86/03/255378603.db2.gz KRCYFZCFPBNSPX-CQSZACIVSA-N 2 2 333.436 1.481 20 0 EDADLP C[NH+](C)C1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCOCC1 ZINC000117806018 221090397 /nfs/dbraw/zinc/09/03/97/221090397.db2.gz RGUQBKKBLIQZNH-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000119554926 221347289 /nfs/dbraw/zinc/34/72/89/221347289.db2.gz XTELYJDREJNAKZ-KAKFPZCNSA-N 2 2 348.535 1.488 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000119554926 221347291 /nfs/dbraw/zinc/34/72/91/221347291.db2.gz XTELYJDREJNAKZ-KAKFPZCNSA-N 2 2 348.535 1.488 20 0 EDADLP C[C@@H]1CCCN(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000119554926 221347294 /nfs/dbraw/zinc/34/72/94/221347294.db2.gz XTELYJDREJNAKZ-KAKFPZCNSA-N 2 2 348.535 1.488 20 0 EDADLP C[C@@H]1CCCN(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000119554926 221347296 /nfs/dbraw/zinc/34/72/96/221347296.db2.gz XTELYJDREJNAKZ-KAKFPZCNSA-N 2 2 348.535 1.488 20 0 EDADLP C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](C[NH2+]C2CCCC2)CC3)CC1 ZINC000328604511 258040372 /nfs/dbraw/zinc/04/03/72/258040372.db2.gz KFVRDBXZNNMEIC-OAHLLOKOSA-N 2 2 345.491 1.365 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cnccn2)CC1 ZINC000570799652 306551506 /nfs/dbraw/zinc/55/15/06/306551506.db2.gz BLAKLOOTSLKXOH-UHFFFAOYSA-N 2 2 341.459 1.739 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1conc1C(C)(C)[NH3+] ZINC000571178710 306560035 /nfs/dbraw/zinc/56/00/35/306560035.db2.gz MXINIOVZUBNZLH-UHFFFAOYSA-N 2 2 345.403 1.661 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000270983035 140213366 /nfs/dbraw/zinc/21/33/66/140213366.db2.gz VQFOILSTSGQBKL-MRXNPFEDSA-N 2 2 347.459 1.005 20 0 EDADLP Cc1ccn2ncc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)c2c1 ZINC000271034246 140224653 /nfs/dbraw/zinc/22/46/53/140224653.db2.gz LJUBPYCOFSJLDA-UHFFFAOYSA-N 2 2 329.448 1.399 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)CN1CC[NH+]1CCOCC1 ZINC000271504885 140304369 /nfs/dbraw/zinc/30/43/69/140304369.db2.gz NQEKAKRNYNSTKL-KBXCAEBGSA-N 2 2 347.434 1.336 20 0 EDADLP C[NH+](C/C=C/C[N@H+](C)CCCn1cc[nH+]c1)CCCn1cc[nH+]c1 ZINC000271690702 140334613 /nfs/dbraw/zinc/33/46/13/140334613.db2.gz LPRLADYYVIXBLU-ONEGZZNKSA-N 4 2 330.480 1.980 20 0 EDADLP C[NH+](C/C=C/C[N@@H+](C)CCCn1cc[nH+]c1)CCCn1cc[nH+]c1 ZINC000271690702 140334614 /nfs/dbraw/zinc/33/46/14/140334614.db2.gz LPRLADYYVIXBLU-ONEGZZNKSA-N 4 2 330.480 1.980 20 0 EDADLP C[NH+](C/C=C/C[N@H+](C)CCCn1ccnc1)CCCn1cc[nH+]c1 ZINC000271690702 140334617 /nfs/dbraw/zinc/33/46/17/140334617.db2.gz LPRLADYYVIXBLU-ONEGZZNKSA-N 3 2 330.480 1.980 20 0 EDADLP C[NH+](C/C=C/C[N@@H+](C)CCCn1ccnc1)CCCn1cc[nH+]c1 ZINC000271690702 140334618 /nfs/dbraw/zinc/33/46/18/140334618.db2.gz LPRLADYYVIXBLU-ONEGZZNKSA-N 3 2 330.480 1.980 20 0 EDADLP C[NH+](C/C=C/C[N@H+](C)CCCn1cc[nH+]c1)CCCn1ccnc1 ZINC000271690702 140334619 /nfs/dbraw/zinc/33/46/19/140334619.db2.gz LPRLADYYVIXBLU-ONEGZZNKSA-N 3 2 330.480 1.980 20 0 EDADLP C[NH+](C/C=C/C[N@@H+](C)CCCn1cc[nH+]c1)CCCn1ccnc1 ZINC000271690702 140334620 /nfs/dbraw/zinc/33/46/20/140334620.db2.gz LPRLADYYVIXBLU-ONEGZZNKSA-N 3 2 330.480 1.980 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(F)c(F)c1 ZINC000271693489 140334888 /nfs/dbraw/zinc/33/48/88/140334888.db2.gz KXCUHKJORPZEJT-CVEARBPZSA-N 2 2 341.402 1.582 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(F)c(F)c1 ZINC000271693489 140334890 /nfs/dbraw/zinc/33/48/90/140334890.db2.gz KXCUHKJORPZEJT-CVEARBPZSA-N 2 2 341.402 1.582 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000571897527 306577003 /nfs/dbraw/zinc/57/70/03/306577003.db2.gz NPGSOCIGCQERNW-QAQDUYKDSA-N 2 2 345.491 1.987 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C[C@@H]1[NH3+] ZINC000331893810 141094932 /nfs/dbraw/zinc/09/49/32/141094932.db2.gz TUMSTDRJJDJAQZ-ZBFHGGJFSA-N 2 2 331.464 1.807 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000332559065 141203275 /nfs/dbraw/zinc/20/32/75/141203275.db2.gz VCXWXKUUZXUZBU-JFIYKMOQSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000332559065 141203276 /nfs/dbraw/zinc/20/32/76/141203276.db2.gz VCXWXKUUZXUZBU-JFIYKMOQSA-N 2 2 345.491 1.953 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C1)CCCC2 ZINC000333129481 141268623 /nfs/dbraw/zinc/26/86/23/141268623.db2.gz IINIYMWIFCIXGH-CABCVRRESA-N 2 2 337.489 1.752 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C1)CCCC2 ZINC000333129481 141268624 /nfs/dbraw/zinc/26/86/24/141268624.db2.gz IINIYMWIFCIXGH-CABCVRRESA-N 2 2 337.489 1.752 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000333257623 141288368 /nfs/dbraw/zinc/28/83/68/141288368.db2.gz IIYIFVOMESUVJP-GDBMZVCRSA-N 2 2 329.444 1.843 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000333500506 141327334 /nfs/dbraw/zinc/32/73/34/141327334.db2.gz WCAYJTNNHHGVTG-MRXNPFEDSA-N 2 2 332.448 1.016 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333575820 141339568 /nfs/dbraw/zinc/33/95/68/141339568.db2.gz MYTFCOWHSQJCGR-MRXNPFEDSA-N 2 2 331.464 1.893 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333575452 141339579 /nfs/dbraw/zinc/33/95/79/141339579.db2.gz SOJFDWMIIZDRJJ-HIFRSBDPSA-N 2 2 338.477 1.125 20 0 EDADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333652216 141350883 /nfs/dbraw/zinc/35/08/83/141350883.db2.gz JZSCTCWEWSTPDH-OAHLLOKOSA-N 2 2 331.464 1.860 20 0 EDADLP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3C[N@H+](C)CCO3)n2)CC1 ZINC000333713455 141363689 /nfs/dbraw/zinc/36/36/89/141363689.db2.gz SRIDZWXVSKRWKL-INIZCTEOSA-N 2 2 343.431 1.492 20 0 EDADLP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3C[N@@H+](C)CCO3)n2)CC1 ZINC000333713455 141363691 /nfs/dbraw/zinc/36/36/91/141363691.db2.gz SRIDZWXVSKRWKL-INIZCTEOSA-N 2 2 343.431 1.492 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333929451 141412363 /nfs/dbraw/zinc/41/23/63/141412363.db2.gz YIVJRHHVSHSOJR-JKSUJKDBSA-N 2 2 329.448 1.433 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000339278942 142002333 /nfs/dbraw/zinc/00/23/33/142002333.db2.gz LOFMUGWTTLEHIM-JENIJYKNSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000339278942 142002334 /nfs/dbraw/zinc/00/23/34/142002334.db2.gz LOFMUGWTTLEHIM-JENIJYKNSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000339278942 142002336 /nfs/dbraw/zinc/00/23/36/142002336.db2.gz LOFMUGWTTLEHIM-JENIJYKNSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000339278942 142002337 /nfs/dbraw/zinc/00/23/37/142002337.db2.gz LOFMUGWTTLEHIM-JENIJYKNSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@@H](C[C@H]1CCCO1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340254554 142321094 /nfs/dbraw/zinc/32/10/94/142321094.db2.gz OWTCWINMVRQNGD-GOEBONIOSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340258869 142322492 /nfs/dbraw/zinc/32/24/92/142322492.db2.gz VKEYPMCMZTVSJL-RDJZCZTQSA-N 2 2 340.512 1.373 20 0 EDADLP COc1ccccc1CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000344750491 143007122 /nfs/dbraw/zinc/00/71/22/143007122.db2.gz WKSPKSKJWINMGP-UHFFFAOYSA-N 2 2 333.476 1.722 20 0 EDADLP COc1ccccc1CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344750491 143007123 /nfs/dbraw/zinc/00/71/23/143007123.db2.gz WKSPKSKJWINMGP-UHFFFAOYSA-N 2 2 333.476 1.722 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000345398228 143086476 /nfs/dbraw/zinc/08/64/76/143086476.db2.gz XLOJVDAHLBKEPN-UHFFFAOYSA-N 2 2 331.464 1.708 20 0 EDADLP c1cn(-c2csc(C[N@@H+]3CCO[C@@H](Cn4cncn4)C3)c2)c[nH+]1 ZINC000346141131 143171824 /nfs/dbraw/zinc/17/18/24/143171824.db2.gz XNDVUJQMPVKBLA-CQSZACIVSA-N 2 2 330.417 1.426 20 0 EDADLP c1cn(-c2csc(C[N@H+]3CCO[C@@H](Cn4cncn4)C3)c2)c[nH+]1 ZINC000346141131 143171825 /nfs/dbraw/zinc/17/18/25/143171825.db2.gz XNDVUJQMPVKBLA-CQSZACIVSA-N 2 2 330.417 1.426 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000346419763 143202893 /nfs/dbraw/zinc/20/28/93/143202893.db2.gz YMMRYEMHYCINCB-DZGCQCFKSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)n1 ZINC000346419763 143202894 /nfs/dbraw/zinc/20/28/94/143202894.db2.gz YMMRYEMHYCINCB-DZGCQCFKSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000346419763 143202895 /nfs/dbraw/zinc/20/28/95/143202895.db2.gz YMMRYEMHYCINCB-DZGCQCFKSA-N 2 2 346.431 1.223 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000346419763 143202896 /nfs/dbraw/zinc/20/28/96/143202896.db2.gz YMMRYEMHYCINCB-DZGCQCFKSA-N 2 2 346.431 1.223 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000346543292 143215350 /nfs/dbraw/zinc/21/53/50/143215350.db2.gz KLDLOQIONZUMQX-MRXNPFEDSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000346543292 143215351 /nfs/dbraw/zinc/21/53/51/143215351.db2.gz KLDLOQIONZUMQX-MRXNPFEDSA-N 2 2 327.472 1.987 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2C(C)(C)C)[C@@H](C)C1 ZINC000346620947 143223011 /nfs/dbraw/zinc/22/30/11/143223011.db2.gz RPYZQBXNYPEDMK-GJZGRUSLSA-N 2 2 338.500 1.655 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnnn2C(C)(C)C)[C@@H](C)C1 ZINC000346620947 143223012 /nfs/dbraw/zinc/22/30/12/143223012.db2.gz RPYZQBXNYPEDMK-GJZGRUSLSA-N 2 2 338.500 1.655 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCCC1 ZINC000346642054 143225298 /nfs/dbraw/zinc/22/52/98/143225298.db2.gz RYOWCLOPBOZHIR-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP CCOC(=O)CC(C)(C)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000346849685 143251481 /nfs/dbraw/zinc/25/14/81/143251481.db2.gz QRACIMJNFMXMKN-UHFFFAOYSA-N 2 2 327.469 1.062 20 0 EDADLP CCc1ccc([C@H](COC)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000347854566 143370547 /nfs/dbraw/zinc/37/05/47/143370547.db2.gz ZLWFNEXMMPZHTF-KRWDZBQOSA-N 2 2 349.475 1.862 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369752890 155161852 /nfs/dbraw/zinc/16/18/52/155161852.db2.gz LCYUMAWVITUOGA-UHFFFAOYSA-N 2 2 346.435 1.035 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000369752890 155161855 /nfs/dbraw/zinc/16/18/55/155161855.db2.gz LCYUMAWVITUOGA-UHFFFAOYSA-N 2 2 346.435 1.035 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC[C@H](O)C3)C2)CC1 ZINC000369852056 155204418 /nfs/dbraw/zinc/20/44/18/155204418.db2.gz OXDNMCOULUPCAO-VYDXJSESSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC[C@H](O)C3)C2)CC1 ZINC000369852056 155204419 /nfs/dbraw/zinc/20/44/19/155204419.db2.gz OXDNMCOULUPCAO-VYDXJSESSA-N 2 2 338.496 1.005 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000165677598 292199041 /nfs/dbraw/zinc/19/90/41/292199041.db2.gz UKQUPYRDCDKWHU-ZWKOTPCHSA-N 2 2 331.460 1.627 20 0 EDADLP CCOc1c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C)nn1CC(C)C ZINC000352720501 149129076 /nfs/dbraw/zinc/12/90/76/149129076.db2.gz OFMRPJUALYVSTJ-KRWDZBQOSA-N 2 2 349.523 1.726 20 0 EDADLP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cccc3[nH+]ccn32)cn1 ZINC000352898805 149208075 /nfs/dbraw/zinc/20/80/75/149208075.db2.gz PTNKXMYDZOOOOK-RDJZCZTQSA-N 2 2 342.422 1.770 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000352997044 149245651 /nfs/dbraw/zinc/24/56/51/149245651.db2.gz BXODNMQSSBJBCB-AWEZNQCLSA-N 2 2 346.456 1.614 20 0 EDADLP CO[C@@H](C[NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000352997044 149245654 /nfs/dbraw/zinc/24/56/54/149245654.db2.gz BXODNMQSSBJBCB-AWEZNQCLSA-N 2 2 346.456 1.614 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CCO1 ZINC000353006821 149249400 /nfs/dbraw/zinc/24/94/00/149249400.db2.gz HRXXLTCISRGEQH-DYVFJYSZSA-N 2 2 342.399 1.761 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccccc1 ZINC000353012690 149253624 /nfs/dbraw/zinc/25/36/24/149253624.db2.gz AQRGHBBUINDCNC-ZACQAIPSSA-N 2 2 332.448 1.014 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccccc1 ZINC000353012690 149253627 /nfs/dbraw/zinc/25/36/27/149253627.db2.gz AQRGHBBUINDCNC-ZACQAIPSSA-N 2 2 332.448 1.014 20 0 EDADLP Cc1nocc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000353061438 149270391 /nfs/dbraw/zinc/27/03/91/149270391.db2.gz GJANQULDAHZOEL-GJZGRUSLSA-N 2 2 348.426 1.888 20 0 EDADLP Cc1nocc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000353061438 149270393 /nfs/dbraw/zinc/27/03/93/149270393.db2.gz GJANQULDAHZOEL-GJZGRUSLSA-N 2 2 348.426 1.888 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CC[NH2+]C[C@H]3C)c[nH+]2)CC1 ZINC000416975858 304359262 /nfs/dbraw/zinc/35/92/62/304359262.db2.gz OWUIBQTXHZXENR-OAHLLOKOSA-N 2 2 331.464 1.821 20 0 EDADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000354124352 286151248 /nfs/dbraw/zinc/15/12/48/286151248.db2.gz JYQJTAHRUSRPAM-BBWFWOEESA-N 2 2 325.497 1.724 20 0 EDADLP CCOC[C@@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000354124352 286151251 /nfs/dbraw/zinc/15/12/51/286151251.db2.gz JYQJTAHRUSRPAM-BBWFWOEESA-N 2 2 325.497 1.724 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2cncnc2)cc[nH+]1 ZINC000354911873 150027605 /nfs/dbraw/zinc/02/76/05/150027605.db2.gz ASVGKXAAQZHJCQ-HUUCEWRRSA-N 2 2 345.426 1.381 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)Cc2cncnc2)cc[nH+]1 ZINC000354911873 150027607 /nfs/dbraw/zinc/02/76/07/150027607.db2.gz ASVGKXAAQZHJCQ-HUUCEWRRSA-N 2 2 345.426 1.381 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355060567 150097379 /nfs/dbraw/zinc/09/73/79/150097379.db2.gz FRZUDUUXFSZLSL-SJORKVTESA-N 2 2 336.524 1.488 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355060567 150097380 /nfs/dbraw/zinc/09/73/80/150097380.db2.gz FRZUDUUXFSZLSL-SJORKVTESA-N 2 2 336.524 1.488 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355399441 150252648 /nfs/dbraw/zinc/25/26/48/150252648.db2.gz PJPQEDOKGFAYOM-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355399441 150252650 /nfs/dbraw/zinc/25/26/50/150252650.db2.gz PJPQEDOKGFAYOM-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355399441 150252655 /nfs/dbraw/zinc/25/26/55/150252655.db2.gz PJPQEDOKGFAYOM-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355399441 150252656 /nfs/dbraw/zinc/25/26/56/150252656.db2.gz PJPQEDOKGFAYOM-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(C[NH+](C)C)on1 ZINC000355571696 150319008 /nfs/dbraw/zinc/31/90/08/150319008.db2.gz DDMNCBXSYALSDQ-UHFFFAOYSA-N 2 2 330.432 1.940 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)no1 ZINC000355624671 150342085 /nfs/dbraw/zinc/34/20/85/150342085.db2.gz XXMIPIMLRMVBGQ-UHFFFAOYSA-N 2 2 343.362 1.991 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc([C@H](C)OC)no2)C1 ZINC000355739330 150381456 /nfs/dbraw/zinc/38/14/56/150381456.db2.gz DUIWJGZEQRIDTC-KBPBESRZSA-N 2 2 326.441 1.710 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc([C@H](C)OC)no2)C1 ZINC000355739330 150381458 /nfs/dbraw/zinc/38/14/58/150381458.db2.gz DUIWJGZEQRIDTC-KBPBESRZSA-N 2 2 326.441 1.710 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000357594108 151078399 /nfs/dbraw/zinc/07/83/99/151078399.db2.gz DJLIVBLBSRMULH-ZNMIVQPWSA-N 2 2 333.480 1.934 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000357594108 151078402 /nfs/dbraw/zinc/07/84/02/151078402.db2.gz DJLIVBLBSRMULH-ZNMIVQPWSA-N 2 2 333.480 1.934 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357594108 151078405 /nfs/dbraw/zinc/07/84/05/151078405.db2.gz DJLIVBLBSRMULH-ZNMIVQPWSA-N 2 2 333.480 1.934 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357594108 151078406 /nfs/dbraw/zinc/07/84/06/151078406.db2.gz DJLIVBLBSRMULH-ZNMIVQPWSA-N 2 2 333.480 1.934 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)cn1 ZINC000357633529 151093236 /nfs/dbraw/zinc/09/32/36/151093236.db2.gz COCUGLQASXTTSG-QGZVFWFLSA-N 2 2 333.480 1.422 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)cn1 ZINC000357633529 151093239 /nfs/dbraw/zinc/09/32/39/151093239.db2.gz COCUGLQASXTTSG-QGZVFWFLSA-N 2 2 333.480 1.422 20 0 EDADLP CCCn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000357633529 151093240 /nfs/dbraw/zinc/09/32/40/151093240.db2.gz COCUGLQASXTTSG-QGZVFWFLSA-N 2 2 333.480 1.422 20 0 EDADLP CCCn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000357633529 151093243 /nfs/dbraw/zinc/09/32/43/151093243.db2.gz COCUGLQASXTTSG-QGZVFWFLSA-N 2 2 333.480 1.422 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000357633795 151093880 /nfs/dbraw/zinc/09/38/80/151093880.db2.gz MTALIQCXMTZKQO-RDJZCZTQSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000357633795 151093883 /nfs/dbraw/zinc/09/38/83/151093883.db2.gz MTALIQCXMTZKQO-RDJZCZTQSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647768 151100621 /nfs/dbraw/zinc/10/06/21/151100621.db2.gz KZLGENBRQQYVPR-GFCCVEGCSA-N 2 2 340.855 1.451 20 0 EDADLP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647768 151100625 /nfs/dbraw/zinc/10/06/25/151100625.db2.gz KZLGENBRQQYVPR-GFCCVEGCSA-N 2 2 340.855 1.451 20 0 EDADLP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653527 151103363 /nfs/dbraw/zinc/10/33/63/151103363.db2.gz XETSUYZGMWPMOZ-GFCCVEGCSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653527 151103366 /nfs/dbraw/zinc/10/33/66/151103366.db2.gz XETSUYZGMWPMOZ-GFCCVEGCSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000357723177 151126805 /nfs/dbraw/zinc/12/68/05/151126805.db2.gz VFDORMGFOXZHGQ-GOEBONIOSA-N 2 2 340.439 1.342 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000357723177 151126807 /nfs/dbraw/zinc/12/68/07/151126807.db2.gz VFDORMGFOXZHGQ-GOEBONIOSA-N 2 2 340.439 1.342 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000417072035 304369504 /nfs/dbraw/zinc/36/95/04/304369504.db2.gz HDIRLKLZGQURPF-GOEBONIOSA-N 2 2 331.464 1.867 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)C1 ZINC000357759757 151141328 /nfs/dbraw/zinc/14/13/28/151141328.db2.gz WLAZHYBUNBIFIW-MAUKXSAKSA-N 2 2 334.464 1.812 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C(C)=O)C(C)C)C1 ZINC000357759757 151141330 /nfs/dbraw/zinc/14/13/30/151141330.db2.gz WLAZHYBUNBIFIW-MAUKXSAKSA-N 2 2 334.464 1.812 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000357775655 151148287 /nfs/dbraw/zinc/14/82/87/151148287.db2.gz QBRSXZBLFYZSOQ-XHSDSOJGSA-N 2 2 328.501 1.515 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000357775655 151148288 /nfs/dbraw/zinc/14/82/88/151148288.db2.gz QBRSXZBLFYZSOQ-XHSDSOJGSA-N 2 2 328.501 1.515 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)Cc2ccon2)cc[nH+]1 ZINC000357886026 151184143 /nfs/dbraw/zinc/18/41/43/151184143.db2.gz TUFKGHHZTFWVTL-GXTWGEPZSA-N 2 2 334.399 1.579 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)Cc2ccon2)cc[nH+]1 ZINC000357886026 151184146 /nfs/dbraw/zinc/18/41/46/151184146.db2.gz TUFKGHHZTFWVTL-GXTWGEPZSA-N 2 2 334.399 1.579 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)CC1 ZINC000357910584 151192444 /nfs/dbraw/zinc/19/24/44/151192444.db2.gz VNEVIXULMDOSGB-DLBZAZTESA-N 2 2 336.480 1.143 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2C)CC1 ZINC000357910584 151192447 /nfs/dbraw/zinc/19/24/47/151192447.db2.gz VNEVIXULMDOSGB-DLBZAZTESA-N 2 2 336.480 1.143 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000357999068 151228795 /nfs/dbraw/zinc/22/87/95/151228795.db2.gz GHDULDMUUHNMTH-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000357999068 151228798 /nfs/dbraw/zinc/22/87/98/151228798.db2.gz GHDULDMUUHNMTH-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000357999068 151228799 /nfs/dbraw/zinc/22/87/99/151228799.db2.gz GHDULDMUUHNMTH-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000357999068 151228803 /nfs/dbraw/zinc/22/88/03/151228803.db2.gz GHDULDMUUHNMTH-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000358082731 151264734 /nfs/dbraw/zinc/26/47/34/151264734.db2.gz WZXJNWKARDZNCY-WBVHZDCISA-N 2 2 336.480 1.143 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358277420 151324442 /nfs/dbraw/zinc/32/44/42/151324442.db2.gz SUBXHTQOSRGXNY-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358277420 151324446 /nfs/dbraw/zinc/32/44/46/151324446.db2.gz SUBXHTQOSRGXNY-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP O=S(=O)(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000358290384 151328067 /nfs/dbraw/zinc/32/80/67/151328067.db2.gz RCQOYRHQKLIYKP-GJZGRUSLSA-N 2 2 326.437 1.816 20 0 EDADLP O=S(=O)(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000358290384 151328068 /nfs/dbraw/zinc/32/80/68/151328068.db2.gz RCQOYRHQKLIYKP-GJZGRUSLSA-N 2 2 326.437 1.816 20 0 EDADLP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)CC2)nc1 ZINC000358300794 151330918 /nfs/dbraw/zinc/33/09/18/151330918.db2.gz MLDSHSOIZBEQDT-HKUYNNGSSA-N 2 2 331.460 1.974 20 0 EDADLP c1cncc([C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C2CC2)c1 ZINC000358364646 151351497 /nfs/dbraw/zinc/35/14/97/151351497.db2.gz GJLBBWAMHNUNNS-HXUWFJFHSA-N 2 2 344.503 1.919 20 0 EDADLP c1cncc([C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C2CC2)c1 ZINC000358364646 151351498 /nfs/dbraw/zinc/35/14/98/151351498.db2.gz GJLBBWAMHNUNNS-HXUWFJFHSA-N 2 2 344.503 1.919 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cc1F ZINC000360532457 152083240 /nfs/dbraw/zinc/08/32/40/152083240.db2.gz JOZBSGFUROCLMT-UHFFFAOYSA-N 2 2 349.450 1.758 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCCc1nc2ccccc2s1 ZINC000360536617 152085776 /nfs/dbraw/zinc/08/57/76/152085776.db2.gz WNHUKTHBEPVUFY-SFHVURJKSA-N 2 2 344.484 1.640 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCCc1nc2ccccc2s1 ZINC000360536617 152085779 /nfs/dbraw/zinc/08/57/79/152085779.db2.gz WNHUKTHBEPVUFY-SFHVURJKSA-N 2 2 344.484 1.640 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCn2cc[nH+]c2)cc1 ZINC000360618770 152124993 /nfs/dbraw/zinc/12/49/93/152124993.db2.gz KHHYRTFIVOFBSX-IRXDYDNUSA-N 2 2 328.416 1.544 20 0 EDADLP Cc1csc2nc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)cc(=O)n12 ZINC000360926476 152254186 /nfs/dbraw/zinc/25/41/86/152254186.db2.gz JUOZRVJYAAFIQP-BMFZPTHFSA-N 2 2 344.484 1.981 20 0 EDADLP Cc1csc2nc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)cc(=O)n12 ZINC000360926476 152254189 /nfs/dbraw/zinc/25/41/89/152254189.db2.gz JUOZRVJYAAFIQP-BMFZPTHFSA-N 2 2 344.484 1.981 20 0 EDADLP Cc1csc2nc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)cc(=O)n12 ZINC000360926476 152254191 /nfs/dbraw/zinc/25/41/91/152254191.db2.gz JUOZRVJYAAFIQP-BMFZPTHFSA-N 2 2 344.484 1.981 20 0 EDADLP Cc1csc2nc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)cc(=O)n12 ZINC000360926476 152254195 /nfs/dbraw/zinc/25/41/95/152254195.db2.gz JUOZRVJYAAFIQP-BMFZPTHFSA-N 2 2 344.484 1.981 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@H+](C)C1 ZINC000417145935 304377805 /nfs/dbraw/zinc/37/78/05/304377805.db2.gz XNEVATSBLCXQGB-AWEZNQCLSA-N 2 2 334.420 1.575 20 0 EDADLP COC(=O)[C@@H]1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)CC[N@@H+](C)C1 ZINC000417145935 304377808 /nfs/dbraw/zinc/37/78/08/304377808.db2.gz XNEVATSBLCXQGB-AWEZNQCLSA-N 2 2 334.420 1.575 20 0 EDADLP COC(=O)CNC(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063718 152292829 /nfs/dbraw/zinc/29/28/29/152292829.db2.gz UWXOUZYHWUGSSR-UHFFFAOYSA-N 2 2 336.436 1.055 20 0 EDADLP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H](C)[NH+]2CCOCC2)c1 ZINC000361069575 152294635 /nfs/dbraw/zinc/29/46/35/152294635.db2.gz REXNWEINTNNYHT-INIZCTEOSA-N 2 2 349.475 1.306 20 0 EDADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)o2)cc1 ZINC000361158041 152321975 /nfs/dbraw/zinc/32/19/75/152321975.db2.gz YWYASGAXIADWIY-LJQANCHMSA-N 2 2 344.411 1.889 20 0 EDADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)o2)cc1 ZINC000361158041 152321978 /nfs/dbraw/zinc/32/19/78/152321978.db2.gz YWYASGAXIADWIY-LJQANCHMSA-N 2 2 344.411 1.889 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361354133 152370041 /nfs/dbraw/zinc/37/00/41/152370041.db2.gz WHPZBJKNQQBGHV-AEFFLSMTSA-N 3 2 334.508 1.523 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361354133 152370043 /nfs/dbraw/zinc/37/00/43/152370043.db2.gz WHPZBJKNQQBGHV-AEFFLSMTSA-N 3 2 334.508 1.523 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000363558575 153000695 /nfs/dbraw/zinc/00/06/95/153000695.db2.gz TVSMKBMVZQTTKX-HNAYVOBHSA-N 2 2 331.460 1.827 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000363558575 153000697 /nfs/dbraw/zinc/00/06/97/153000697.db2.gz TVSMKBMVZQTTKX-HNAYVOBHSA-N 2 2 331.460 1.827 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000363737091 153043091 /nfs/dbraw/zinc/04/30/91/153043091.db2.gz CLGKCFOUUSRWEO-HXUWFJFHSA-N 2 2 343.471 1.324 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000363737091 153043092 /nfs/dbraw/zinc/04/30/92/153043092.db2.gz CLGKCFOUUSRWEO-HXUWFJFHSA-N 2 2 343.471 1.324 20 0 EDADLP CCc1nc(CN2C[C@@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@H]3C2)no1 ZINC000363858395 153076880 /nfs/dbraw/zinc/07/68/80/153076880.db2.gz VEZSQIIXWZZHSQ-HUUCEWRRSA-N 2 2 342.447 1.915 20 0 EDADLP CCc1nc(C[NH+]2C[C@@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@H]3C2)no1 ZINC000363858395 153076881 /nfs/dbraw/zinc/07/68/81/153076881.db2.gz VEZSQIIXWZZHSQ-HUUCEWRRSA-N 2 2 342.447 1.915 20 0 EDADLP Cc1ccc(N2CCC[C@H](C(=O)N3CC[NH+](C4CC4)CC3)C2)[nH+]c1 ZINC000363925797 153098445 /nfs/dbraw/zinc/09/84/45/153098445.db2.gz JUPLAYMOEKLPPF-INIZCTEOSA-N 2 2 328.460 1.913 20 0 EDADLP CC1CC[NH+](CCNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000364157908 153159489 /nfs/dbraw/zinc/15/94/89/153159489.db2.gz BFFFLIDLWHOCMN-INIZCTEOSA-N 2 2 348.495 1.150 20 0 EDADLP [NH3+][C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@@H]1c1ccc(F)cc1 ZINC000364193908 153169132 /nfs/dbraw/zinc/16/91/32/153169132.db2.gz FSIYDFWESJMCTO-SJORKVTESA-N 2 2 338.386 1.969 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@]3(F)CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000364852718 153350983 /nfs/dbraw/zinc/35/09/83/153350983.db2.gz WQGLLUPMVVGMEB-KRWDZBQOSA-N 2 2 335.427 1.259 20 0 EDADLP CC[NH2+]CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417225273 304385400 /nfs/dbraw/zinc/38/54/00/304385400.db2.gz SIFCAZGFPYEZNP-UHFFFAOYSA-N 2 2 340.225 1.506 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000574396812 306649666 /nfs/dbraw/zinc/64/96/66/306649666.db2.gz IQMQMVZFSBQJSA-WMZOPIPTSA-N 2 2 347.507 1.589 20 0 EDADLP Cc1cc([C@@H]2CCCN2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)no1 ZINC000366939428 153963232 /nfs/dbraw/zinc/96/32/32/153963232.db2.gz ZFNOYBYMDVQSOJ-KRWDZBQOSA-N 2 2 349.479 1.856 20 0 EDADLP CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000367266429 154060749 /nfs/dbraw/zinc/06/07/49/154060749.db2.gz GNGQEEAIFDSPGK-MRXNPFEDSA-N 2 2 348.495 1.235 20 0 EDADLP CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000367266429 154060753 /nfs/dbraw/zinc/06/07/53/154060753.db2.gz GNGQEEAIFDSPGK-MRXNPFEDSA-N 2 2 348.495 1.235 20 0 EDADLP O=C1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)[C@H](C2CC2)N1 ZINC000367436815 154122230 /nfs/dbraw/zinc/12/22/30/154122230.db2.gz HGRAAKQUPLKBJG-MJGOQNOKSA-N 2 2 328.460 1.693 20 0 EDADLP O[C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C[N@H+]1CCc2ccccc2C1 ZINC000367551582 154171993 /nfs/dbraw/zinc/17/19/93/154171993.db2.gz LANYZZYMHKKUER-AEFFLSMTSA-N 2 2 326.444 1.796 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4nsnc4c3)C2)CC1 ZINC000367593667 154191237 /nfs/dbraw/zinc/19/12/37/154191237.db2.gz LQWQYIFKCOGUFF-CYBMUJFWSA-N 2 2 345.472 1.590 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4nsnc4c3)C2)CC1 ZINC000367593667 154191239 /nfs/dbraw/zinc/19/12/39/154191239.db2.gz LQWQYIFKCOGUFF-CYBMUJFWSA-N 2 2 345.472 1.590 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@H]1Cc2ccccc21 ZINC000367894459 154316179 /nfs/dbraw/zinc/31/61/79/154316179.db2.gz CZFIBEPHQPXOQX-NZSAHSFTSA-N 2 2 329.488 1.663 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000367894459 154316180 /nfs/dbraw/zinc/31/61/80/154316180.db2.gz CZFIBEPHQPXOQX-NZSAHSFTSA-N 2 2 329.488 1.663 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@H]1Cc2ccccc21 ZINC000367894459 154316182 /nfs/dbraw/zinc/31/61/82/154316182.db2.gz CZFIBEPHQPXOQX-NZSAHSFTSA-N 2 2 329.488 1.663 20 0 EDADLP C[N@@H+]1CCc2ncnc(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c2C1 ZINC000372022347 156213767 /nfs/dbraw/zinc/21/37/67/156213767.db2.gz SXHROAMXWSNHCB-ZWKOTPCHSA-N 2 2 345.491 1.644 20 0 EDADLP C[N@H+]1CCc2ncnc(NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c2C1 ZINC000372022347 156213770 /nfs/dbraw/zinc/21/37/70/156213770.db2.gz SXHROAMXWSNHCB-ZWKOTPCHSA-N 2 2 345.491 1.644 20 0 EDADLP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372045528 156224221 /nfs/dbraw/zinc/22/42/21/156224221.db2.gz DLCXRGVZKMKVBH-PKOBYXMFSA-N 2 2 345.487 1.896 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc2[nH+]1 ZINC000574973604 306661286 /nfs/dbraw/zinc/66/12/86/306661286.db2.gz YYPHTNOFJMPQLL-QEJZJMRPSA-N 2 2 341.415 1.167 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000372249815 156287670 /nfs/dbraw/zinc/28/76/70/156287670.db2.gz BALYKCXCBVACRZ-OAHLLOKOSA-N 2 2 337.468 1.336 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000372249815 156287676 /nfs/dbraw/zinc/28/76/76/156287676.db2.gz BALYKCXCBVACRZ-OAHLLOKOSA-N 2 2 337.468 1.336 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)C2 ZINC000372395964 156368913 /nfs/dbraw/zinc/36/89/13/156368913.db2.gz FVHNHHXCOKPOEF-GJZGRUSLSA-N 2 2 347.507 1.390 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)CC2 ZINC000372395964 156368919 /nfs/dbraw/zinc/36/89/19/156368919.db2.gz FVHNHHXCOKPOEF-GJZGRUSLSA-N 2 2 347.507 1.390 20 0 EDADLP COc1c(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c(C)nn1C ZINC000372414122 156376675 /nfs/dbraw/zinc/37/66/75/156376675.db2.gz WPEVGCANSPSLFQ-UHFFFAOYSA-N 2 2 336.480 1.812 20 0 EDADLP COc1c(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c(C)nn1C ZINC000372414122 156376680 /nfs/dbraw/zinc/37/66/80/156376680.db2.gz WPEVGCANSPSLFQ-UHFFFAOYSA-N 2 2 336.480 1.812 20 0 EDADLP O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000575027421 306662818 /nfs/dbraw/zinc/66/28/18/306662818.db2.gz NURJOFHPENWWKR-GJZGRUSLSA-N 2 2 331.464 1.860 20 0 EDADLP CCO[C@H](C)c1noc(C[N@@H+]2CCCN(CC[NH2+]C(C)C)CC2)n1 ZINC000373838652 157027221 /nfs/dbraw/zinc/02/72/21/157027221.db2.gz ZZYXNUGCQCHKCR-OAHLLOKOSA-N 2 2 339.484 1.673 20 0 EDADLP CCO[C@H](C)c1noc(C[N@H+]2CCCN(CC[NH2+]C(C)C)CC2)n1 ZINC000373838652 157027225 /nfs/dbraw/zinc/02/72/25/157027225.db2.gz ZZYXNUGCQCHKCR-OAHLLOKOSA-N 2 2 339.484 1.673 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nnc4n3CCOC4)CC2)C[C@H](C)O1 ZINC000373859228 157037685 /nfs/dbraw/zinc/03/76/85/157037685.db2.gz LTQHFFDHMRLJPY-GASCZTMLSA-N 2 2 349.479 1.130 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nnc4n3CCOC4)CC2)C[C@H](C)O1 ZINC000373859228 157037689 /nfs/dbraw/zinc/03/76/89/157037689.db2.gz LTQHFFDHMRLJPY-GASCZTMLSA-N 2 2 349.479 1.130 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C[C@@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000373899148 157054681 /nfs/dbraw/zinc/05/46/81/157054681.db2.gz UTJZBBJTXUIIEX-REPLKXPHSA-N 2 2 340.556 1.180 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C[C@@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000373899148 157054684 /nfs/dbraw/zinc/05/46/84/157054684.db2.gz UTJZBBJTXUIIEX-REPLKXPHSA-N 3 2 340.556 1.180 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000373899148 157054686 /nfs/dbraw/zinc/05/46/86/157054686.db2.gz UTJZBBJTXUIIEX-REPLKXPHSA-N 3 2 340.556 1.180 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000373899148 157054690 /nfs/dbraw/zinc/05/46/90/157054690.db2.gz UTJZBBJTXUIIEX-REPLKXPHSA-N 3 2 340.556 1.180 20 0 EDADLP O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000374068028 157129781 /nfs/dbraw/zinc/12/97/81/157129781.db2.gz TWFWETFWSHMYFJ-KDURUIRLSA-N 2 2 343.471 1.762 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000374068028 157129785 /nfs/dbraw/zinc/12/97/85/157129785.db2.gz TWFWETFWSHMYFJ-KDURUIRLSA-N 2 2 343.471 1.762 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374214092 157198161 /nfs/dbraw/zinc/19/81/61/157198161.db2.gz XBUIZXKZHGUKAT-GFCCVEGCSA-N 2 2 341.415 1.715 20 0 EDADLP C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CCN1C1CC[NH+](C)CC1 ZINC000374257984 157215811 /nfs/dbraw/zinc/21/58/11/157215811.db2.gz HHXYSSSOFHXEDB-INIZCTEOSA-N 2 2 348.495 1.083 20 0 EDADLP CO[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000374681755 157366095 /nfs/dbraw/zinc/36/60/95/157366095.db2.gz WIERHVGNPBKDDB-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP CO[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000374681755 157366099 /nfs/dbraw/zinc/36/60/99/157366099.db2.gz WIERHVGNPBKDDB-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C[C@H]1C ZINC000377966666 158042260 /nfs/dbraw/zinc/04/22/60/158042260.db2.gz VWDFMAKKBJCEIJ-AEFFLSMTSA-N 2 2 346.475 1.225 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C[C@H]1C ZINC000377966666 158042262 /nfs/dbraw/zinc/04/22/62/158042262.db2.gz VWDFMAKKBJCEIJ-AEFFLSMTSA-N 2 2 346.475 1.225 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C[C@H]1C ZINC000377966666 158042265 /nfs/dbraw/zinc/04/22/65/158042265.db2.gz VWDFMAKKBJCEIJ-AEFFLSMTSA-N 2 2 346.475 1.225 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C[C@H]1C ZINC000377966666 158042267 /nfs/dbraw/zinc/04/22/67/158042267.db2.gz VWDFMAKKBJCEIJ-AEFFLSMTSA-N 2 2 346.475 1.225 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000378113199 158082080 /nfs/dbraw/zinc/08/20/80/158082080.db2.gz FYJRDKJQTKFJMQ-LSDHHAIUSA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000378113199 158082083 /nfs/dbraw/zinc/08/20/83/158082083.db2.gz FYJRDKJQTKFJMQ-LSDHHAIUSA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000378113199 158082085 /nfs/dbraw/zinc/08/20/85/158082085.db2.gz FYJRDKJQTKFJMQ-LSDHHAIUSA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000378113199 158082087 /nfs/dbraw/zinc/08/20/87/158082087.db2.gz FYJRDKJQTKFJMQ-LSDHHAIUSA-N 2 2 333.480 1.934 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)NCC1(N2CC[NH+](C)CC2)CCCCCC1 ZINC000378200901 158106074 /nfs/dbraw/zinc/10/60/74/158106074.db2.gz HCUYHHCQMLKLPA-KRWDZBQOSA-N 2 2 338.540 1.816 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000378345266 158147410 /nfs/dbraw/zinc/14/74/10/158147410.db2.gz IORGNANMIVOCFA-CQSZACIVSA-N 2 2 347.463 1.722 20 0 EDADLP COc1ccc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000378345266 158147413 /nfs/dbraw/zinc/14/74/13/158147413.db2.gz IORGNANMIVOCFA-CQSZACIVSA-N 2 2 347.463 1.722 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000378353619 158148636 /nfs/dbraw/zinc/14/86/36/158148636.db2.gz GHJGRUPVSWUKGJ-MRXNPFEDSA-N 2 2 331.464 1.444 20 0 EDADLP C[C@@H]1CN(C(=O)COCC(F)(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378368542 158155467 /nfs/dbraw/zinc/15/54/67/158155467.db2.gz VTBZYXZWVOVRQD-GFCCVEGCSA-N 2 2 337.386 1.192 20 0 EDADLP C[C@@H]1CN(C(=O)COCC(F)(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378368542 158155469 /nfs/dbraw/zinc/15/54/69/158155469.db2.gz VTBZYXZWVOVRQD-GFCCVEGCSA-N 2 2 337.386 1.192 20 0 EDADLP CCn1cncc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417896629 304427951 /nfs/dbraw/zinc/42/79/51/304427951.db2.gz PUJQXZFDZCZWIO-UHFFFAOYSA-N 3 2 328.464 1.600 20 0 EDADLP Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CC2 ZINC000423581363 304899984 /nfs/dbraw/zinc/89/99/84/304899984.db2.gz YWLIWLKAXZHNDQ-OLZOCXBDSA-N 2 2 325.250 1.884 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C2)CC1 ZINC000352377603 162149253 /nfs/dbraw/zinc/14/92/53/162149253.db2.gz BYPXEPQOQZPYDJ-QGZVFWFLSA-N 2 2 344.507 1.683 20 0 EDADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352412099 162169920 /nfs/dbraw/zinc/16/99/20/162169920.db2.gz BSLCTELTKXXOSG-OALUTQOASA-N 2 2 344.503 1.703 20 0 EDADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352512222 162222035 /nfs/dbraw/zinc/22/20/35/162222035.db2.gz WRRRRFPJXNFVBK-CRAIPNDOSA-N 2 2 348.466 1.152 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)N1CC[NH+](C)CC1 ZINC000360927978 162299787 /nfs/dbraw/zinc/29/97/87/162299787.db2.gz IWFGOLLRGIVOAA-IAGOWNOFSA-N 2 2 345.491 1.050 20 0 EDADLP Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C)c[nH+]1 ZINC000366452848 162384506 /nfs/dbraw/zinc/38/45/06/162384506.db2.gz VPYCMQIGADLHCL-SFHVURJKSA-N 2 2 325.412 1.960 20 0 EDADLP Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C)c[nH+]1 ZINC000366452848 162384510 /nfs/dbraw/zinc/38/45/10/162384510.db2.gz VPYCMQIGADLHCL-SFHVURJKSA-N 2 2 325.412 1.960 20 0 EDADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000370079912 287219976 /nfs/dbraw/zinc/21/99/76/287219976.db2.gz CCTLBPPTIBCSRD-IXDOHACOSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054764170 287227814 /nfs/dbraw/zinc/22/78/14/287227814.db2.gz ZBVPTQYVDZLRQW-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054764170 287227815 /nfs/dbraw/zinc/22/78/15/287227815.db2.gz ZBVPTQYVDZLRQW-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP CO[C@H]1CCC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122723576 222144631 /nfs/dbraw/zinc/14/46/31/222144631.db2.gz AKSBNKVCBYGDSC-SJORKVTESA-N 2 2 338.496 1.412 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000123421378 222274804 /nfs/dbraw/zinc/27/48/04/222274804.db2.gz ZWZAGWZLHQSPSZ-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)CC1 ZINC000123421378 222274807 /nfs/dbraw/zinc/27/48/07/222274807.db2.gz ZWZAGWZLHQSPSZ-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000123421378 222274808 /nfs/dbraw/zinc/27/48/08/222274808.db2.gz ZWZAGWZLHQSPSZ-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000123421378 222274811 /nfs/dbraw/zinc/27/48/11/222274811.db2.gz ZWZAGWZLHQSPSZ-ZBFHGGJFSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000418491731 304502759 /nfs/dbraw/zinc/50/27/59/304502759.db2.gz OPKDQXKLICDAHS-SJORKVTESA-N 2 2 348.491 1.514 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1=CC[N@H+](C)CC1 ZINC000273045298 273025621 /nfs/dbraw/zinc/02/56/21/273025621.db2.gz WQZIHCLLBNGJTP-MRXNPFEDSA-N 2 2 343.475 1.559 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274885430 273098563 /nfs/dbraw/zinc/09/85/63/273098563.db2.gz IICYGJSOVJQSHA-JQHSSLGASA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274885430 273098564 /nfs/dbraw/zinc/09/85/64/273098564.db2.gz IICYGJSOVJQSHA-JQHSSLGASA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2)CO1 ZINC000275246382 273109914 /nfs/dbraw/zinc/10/99/14/273109914.db2.gz OEUAJEADIRGPLD-FUHWJXTLSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2)CO1 ZINC000275246382 273109915 /nfs/dbraw/zinc/10/99/15/273109915.db2.gz OEUAJEADIRGPLD-FUHWJXTLSA-N 2 2 331.460 1.613 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000045022279 272911239 /nfs/dbraw/zinc/91/12/39/272911239.db2.gz SPWMTGQGCLCVJC-GJZGRUSLSA-N 2 2 344.459 1.960 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000278515742 273265283 /nfs/dbraw/zinc/26/52/83/273265283.db2.gz FNMDRBNEMUQQBO-MRXNPFEDSA-N 2 2 346.475 1.396 20 0 EDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000278515742 273265284 /nfs/dbraw/zinc/26/52/84/273265284.db2.gz FNMDRBNEMUQQBO-MRXNPFEDSA-N 2 2 346.475 1.396 20 0 EDADLP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000278884478 273267238 /nfs/dbraw/zinc/26/72/38/273267238.db2.gz HDHMJPCRQCWCKG-IAGOWNOFSA-N 2 2 329.448 1.721 20 0 EDADLP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000278884478 273267239 /nfs/dbraw/zinc/26/72/39/273267239.db2.gz HDHMJPCRQCWCKG-IAGOWNOFSA-N 2 2 329.448 1.721 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000279233859 273286632 /nfs/dbraw/zinc/28/66/32/273286632.db2.gz YXLFVKWJXINKGO-UHFFFAOYSA-N 2 2 349.475 1.691 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000279233859 273286633 /nfs/dbraw/zinc/28/66/33/273286633.db2.gz YXLFVKWJXINKGO-UHFFFAOYSA-N 2 2 349.475 1.691 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000279479571 273300335 /nfs/dbraw/zinc/30/03/35/273300335.db2.gz QQUMUKJFKGZIQD-KRWDZBQOSA-N 2 2 342.443 1.402 20 0 EDADLP COc1cc2c(cc1F)[nH+]ccc2N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000280709487 273388596 /nfs/dbraw/zinc/38/85/96/273388596.db2.gz LBCOSCOVOHSFGL-ZDUSSCGKSA-N 2 2 349.406 1.512 20 0 EDADLP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000280771722 273396463 /nfs/dbraw/zinc/39/64/63/273396463.db2.gz FDUQSQNXUVCIPR-SFHVURJKSA-N 2 2 341.459 1.610 20 0 EDADLP Cc1ccccc1-n1nccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000280771722 273396465 /nfs/dbraw/zinc/39/64/65/273396465.db2.gz FDUQSQNXUVCIPR-SFHVURJKSA-N 2 2 341.459 1.610 20 0 EDADLP COCC1(O)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284211273 274118157 /nfs/dbraw/zinc/11/81/57/274118157.db2.gz TVAWXNHFHFZHEQ-LJQANCHMSA-N 2 2 348.487 1.751 20 0 EDADLP COCC1(O)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284211273 274118158 /nfs/dbraw/zinc/11/81/58/274118158.db2.gz TVAWXNHFHFZHEQ-LJQANCHMSA-N 2 2 348.487 1.751 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH+]1CCCC1 ZINC000361625018 274181004 /nfs/dbraw/zinc/18/10/04/274181004.db2.gz STNAGSFJUZIVCA-RRFJBIMHSA-N 2 2 334.489 1.484 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284816586 274343757 /nfs/dbraw/zinc/34/37/57/274343757.db2.gz PPCOGNMRHDLISW-UHFFFAOYSA-N 2 2 348.472 1.500 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000284816586 274343759 /nfs/dbraw/zinc/34/37/59/274343759.db2.gz PPCOGNMRHDLISW-UHFFFAOYSA-N 2 2 348.472 1.500 20 0 EDADLP O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248827801 275025828 /nfs/dbraw/zinc/02/58/28/275025828.db2.gz HNIBSJIRCZHWPM-MAUKXSAKSA-N 2 2 329.444 1.594 20 0 EDADLP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248827801 275025830 /nfs/dbraw/zinc/02/58/30/275025830.db2.gz HNIBSJIRCZHWPM-MAUKXSAKSA-N 2 2 329.444 1.594 20 0 EDADLP c1cc2c(nc[nH+]c2N2CCCN(c3[nH+]cnc4[nH]ccc43)CC2)[nH]1 ZINC000263723677 275065000 /nfs/dbraw/zinc/06/50/00/275065000.db2.gz BLWRBHCMDCZTGD-UHFFFAOYSA-N 2 2 334.387 1.946 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000354205232 276224480 /nfs/dbraw/zinc/22/44/80/276224480.db2.gz QSFIQIZGLOTYAS-SZMVWBNQSA-N 2 2 345.487 1.911 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000354205232 276224481 /nfs/dbraw/zinc/22/44/81/276224481.db2.gz QSFIQIZGLOTYAS-SZMVWBNQSA-N 2 2 345.487 1.911 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000354205232 276224482 /nfs/dbraw/zinc/22/44/82/276224482.db2.gz QSFIQIZGLOTYAS-SZMVWBNQSA-N 2 2 345.487 1.911 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@@H]1C ZINC000354205232 276224483 /nfs/dbraw/zinc/22/44/83/276224483.db2.gz QSFIQIZGLOTYAS-SZMVWBNQSA-N 2 2 345.487 1.911 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN[C@H]2CC[NH+](CCOC)C2)[C@@H]1c1ccccc1 ZINC000343395111 276393325 /nfs/dbraw/zinc/39/33/25/276393325.db2.gz SRZUPQDDUSMVJC-ZCNNSNEGSA-N 2 2 347.503 1.759 20 0 EDADLP CC[N@H+]1CCO[C@H](CN[C@H]2CC[NH+](CCOC)C2)[C@@H]1c1ccccc1 ZINC000343395111 276393326 /nfs/dbraw/zinc/39/33/26/276393326.db2.gz SRZUPQDDUSMVJC-ZCNNSNEGSA-N 2 2 347.503 1.759 20 0 EDADLP CC[NH+]1CCO[C@H](CN[C@H]2CC[N@H+](CCOC)C2)[C@@H]1c1ccccc1 ZINC000343395111 276393327 /nfs/dbraw/zinc/39/33/27/276393327.db2.gz SRZUPQDDUSMVJC-ZCNNSNEGSA-N 2 2 347.503 1.759 20 0 EDADLP CC[NH+]1CCO[C@H](CN[C@H]2CC[N@@H+](CCOC)C2)[C@@H]1c1ccccc1 ZINC000343395111 276393328 /nfs/dbraw/zinc/39/33/28/276393328.db2.gz SRZUPQDDUSMVJC-ZCNNSNEGSA-N 2 2 347.503 1.759 20 0 EDADLP OC1CCC([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000286003634 287912457 /nfs/dbraw/zinc/91/24/57/287912457.db2.gz IUSPQMBRYSRUHK-UHFFFAOYSA-N 2 2 334.460 1.791 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000459158719 276801702 /nfs/dbraw/zinc/80/17/02/276801702.db2.gz ZQOBJLBGQGXHLO-INIZCTEOSA-N 2 2 333.411 1.704 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)CC1 ZINC000367427740 277089944 /nfs/dbraw/zinc/08/99/44/277089944.db2.gz CCQDDBXAWBHSOA-UHFFFAOYSA-N 2 2 329.444 1.282 20 0 EDADLP COc1cc2c(cc1OC)CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000351440988 277393837 /nfs/dbraw/zinc/39/38/37/277393837.db2.gz JIAFRWZBUAIHBH-QGZVFWFLSA-N 2 2 334.460 1.560 20 0 EDADLP COc1cc2c(cc1OC)CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000351440988 277393839 /nfs/dbraw/zinc/39/38/39/277393839.db2.gz JIAFRWZBUAIHBH-QGZVFWFLSA-N 2 2 334.460 1.560 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000643886697 452794218 /nfs/dbraw/zinc/79/42/18/452794218.db2.gz NKUQICWSXFIEOC-YPMHNXCESA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000643886697 452794228 /nfs/dbraw/zinc/79/42/28/452794228.db2.gz NKUQICWSXFIEOC-YPMHNXCESA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[NH+]1C ZINC000643886697 452794237 /nfs/dbraw/zinc/79/42/37/452794237.db2.gz NKUQICWSXFIEOC-YPMHNXCESA-N 2 2 345.896 1.902 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC[NH+]1C ZINC000643886697 452794245 /nfs/dbraw/zinc/79/42/45/452794245.db2.gz NKUQICWSXFIEOC-YPMHNXCESA-N 2 2 345.896 1.902 20 0 EDADLP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000246342969 277893813 /nfs/dbraw/zinc/89/38/13/277893813.db2.gz CGPSPLDQVNLZAU-ULQDDVLXSA-N 2 2 340.512 1.515 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000286468828 288013392 /nfs/dbraw/zinc/01/33/92/288013392.db2.gz KRPXLJDXZZJFRI-HNNXBMFYSA-N 2 2 342.447 1.608 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371097710 278203405 /nfs/dbraw/zinc/20/34/05/278203405.db2.gz GRZSQFHVUOZXKS-GOEBONIOSA-N 2 2 332.448 1.556 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371097710 278203407 /nfs/dbraw/zinc/20/34/07/278203407.db2.gz GRZSQFHVUOZXKS-GOEBONIOSA-N 2 2 332.448 1.556 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371097710 278203408 /nfs/dbraw/zinc/20/34/08/278203408.db2.gz GRZSQFHVUOZXKS-GOEBONIOSA-N 2 2 332.448 1.556 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371097710 278203409 /nfs/dbraw/zinc/20/34/09/278203409.db2.gz GRZSQFHVUOZXKS-GOEBONIOSA-N 2 2 332.448 1.556 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333715627 278215046 /nfs/dbraw/zinc/21/50/46/278215046.db2.gz TUQSNSAWQMCHBD-IFXJQAMLSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333715627 278215048 /nfs/dbraw/zinc/21/50/48/278215048.db2.gz TUQSNSAWQMCHBD-IFXJQAMLSA-N 2 2 345.443 1.860 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)C1 ZINC000286636984 288051676 /nfs/dbraw/zinc/05/16/76/288051676.db2.gz ZQISOGIXQSKSBQ-WMZOPIPTSA-N 2 2 343.427 1.557 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)C1 ZINC000286636984 288051677 /nfs/dbraw/zinc/05/16/77/288051677.db2.gz ZQISOGIXQSKSBQ-WMZOPIPTSA-N 2 2 343.427 1.557 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000152133871 278607481 /nfs/dbraw/zinc/60/74/81/278607481.db2.gz FKDZFWXEMAZEOT-QZTJIDSGSA-N 2 2 333.476 1.940 20 0 EDADLP CCN(CC)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346922428 279067270 /nfs/dbraw/zinc/06/72/70/279067270.db2.gz KNFRNZDTGXAGBG-QAPCUYQASA-N 2 2 335.496 1.603 20 0 EDADLP CCN(CC)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346922428 279067271 /nfs/dbraw/zinc/06/72/71/279067271.db2.gz KNFRNZDTGXAGBG-QAPCUYQASA-N 2 2 335.496 1.603 20 0 EDADLP CCN(CC)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346922428 279067272 /nfs/dbraw/zinc/06/72/72/279067272.db2.gz KNFRNZDTGXAGBG-QAPCUYQASA-N 2 2 335.496 1.603 20 0 EDADLP CCN(CC)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346922428 279067273 /nfs/dbraw/zinc/06/72/73/279067273.db2.gz KNFRNZDTGXAGBG-QAPCUYQASA-N 2 2 335.496 1.603 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000287174483 288173009 /nfs/dbraw/zinc/17/30/09/288173009.db2.gz OSRXARZKAIKPIT-ZBFHGGJFSA-N 2 2 331.464 1.916 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)C1(C)C ZINC000364602832 279887027 /nfs/dbraw/zinc/88/70/27/279887027.db2.gz QJWJXCNFSWDXTJ-VBQJREDUSA-N 2 2 341.521 1.169 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000287224736 288185145 /nfs/dbraw/zinc/18/51/45/288185145.db2.gz OVZAOPWFKQYFDC-GJZGRUSLSA-N 2 2 336.455 1.403 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000342279437 280163877 /nfs/dbraw/zinc/16/38/77/280163877.db2.gz FZWRSRJQVHLSPL-FGTMMUONSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000287458092 288242498 /nfs/dbraw/zinc/24/24/98/288242498.db2.gz RXTSSDBURYGYDI-YJBOKZPZSA-N 2 2 331.460 1.683 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000289227400 288654126 /nfs/dbraw/zinc/65/41/26/288654126.db2.gz UHMXQAORBNPUIL-UHFFFAOYSA-N 2 2 342.443 1.615 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000370159118 288717153 /nfs/dbraw/zinc/71/71/53/288717153.db2.gz FKXPHOPBEXZTLW-HOTGVXAUSA-N 3 2 345.491 1.373 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000290027485 288824328 /nfs/dbraw/zinc/82/43/28/288824328.db2.gz RPDOTKGUHSJSJI-QZTJIDSGSA-N 2 2 331.460 1.598 20 0 EDADLP CN(C)C(=O)c1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000417764868 289033819 /nfs/dbraw/zinc/03/38/19/289033819.db2.gz NAJKRTJBPFJVHJ-KRWDZBQOSA-N 2 2 345.487 1.933 20 0 EDADLP CN(C)C(=O)c1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000417764868 289033821 /nfs/dbraw/zinc/03/38/21/289033821.db2.gz NAJKRTJBPFJVHJ-KRWDZBQOSA-N 2 2 345.487 1.933 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000369882347 289056662 /nfs/dbraw/zinc/05/66/62/289056662.db2.gz XSYYHAGYTRRYBL-QGZVFWFLSA-N 2 2 331.460 1.488 20 0 EDADLP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000369882347 289056667 /nfs/dbraw/zinc/05/66/67/289056667.db2.gz XSYYHAGYTRRYBL-QGZVFWFLSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000292046613 289247740 /nfs/dbraw/zinc/24/77/40/289247740.db2.gz FRKFITROAMBORK-CRAIPNDOSA-N 2 2 343.475 1.660 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000292046613 289247744 /nfs/dbraw/zinc/24/77/44/289247744.db2.gz FRKFITROAMBORK-CRAIPNDOSA-N 2 2 343.475 1.660 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292070847 289254512 /nfs/dbraw/zinc/25/45/12/289254512.db2.gz DOTVBHXBGOGKLC-XLIONFOSSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292070847 289254514 /nfs/dbraw/zinc/25/45/14/289254514.db2.gz DOTVBHXBGOGKLC-XLIONFOSSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292070847 289254516 /nfs/dbraw/zinc/25/45/16/289254516.db2.gz DOTVBHXBGOGKLC-XLIONFOSSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292070847 289254517 /nfs/dbraw/zinc/25/45/17/289254517.db2.gz DOTVBHXBGOGKLC-XLIONFOSSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292129833 289268769 /nfs/dbraw/zinc/26/87/69/289268769.db2.gz LCHOWWZBZVCXSF-KSSFIOAISA-N 2 2 330.432 1.751 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292129833 289268770 /nfs/dbraw/zinc/26/87/70/289268770.db2.gz LCHOWWZBZVCXSF-KSSFIOAISA-N 2 2 330.432 1.751 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292129833 289268771 /nfs/dbraw/zinc/26/87/71/289268771.db2.gz LCHOWWZBZVCXSF-KSSFIOAISA-N 2 2 330.432 1.751 20 0 EDADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292129833 289268772 /nfs/dbraw/zinc/26/87/72/289268772.db2.gz LCHOWWZBZVCXSF-KSSFIOAISA-N 2 2 330.432 1.751 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292161051 289277374 /nfs/dbraw/zinc/27/73/74/289277374.db2.gz OLMGEHWXXGMRCB-DNVCBOLYSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292161051 289277376 /nfs/dbraw/zinc/27/73/76/289277376.db2.gz OLMGEHWXXGMRCB-DNVCBOLYSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292161051 289277379 /nfs/dbraw/zinc/27/73/79/289277379.db2.gz OLMGEHWXXGMRCB-DNVCBOLYSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292161051 289277382 /nfs/dbraw/zinc/27/73/82/289277382.db2.gz OLMGEHWXXGMRCB-DNVCBOLYSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc([C@H](CNC(=O)N2CCn3c[nH+]cc3C2)[NH+](C)C)c1 ZINC000292306969 289312252 /nfs/dbraw/zinc/31/22/52/289312252.db2.gz HZIOQEJKFQDAFO-KRWDZBQOSA-N 2 2 343.431 1.720 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000369601662 289331755 /nfs/dbraw/zinc/33/17/55/289331755.db2.gz LUDMWQMOQRJSCR-CBBWQLFWSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000369601662 289331759 /nfs/dbraw/zinc/33/17/59/289331759.db2.gz LUDMWQMOQRJSCR-CBBWQLFWSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000369601662 289331761 /nfs/dbraw/zinc/33/17/61/289331761.db2.gz LUDMWQMOQRJSCR-CBBWQLFWSA-N 2 2 336.480 1.415 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000369601662 289331766 /nfs/dbraw/zinc/33/17/66/289331766.db2.gz LUDMWQMOQRJSCR-CBBWQLFWSA-N 2 2 336.480 1.415 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1)C2 ZINC000370941792 293493236 /nfs/dbraw/zinc/49/32/36/293493236.db2.gz KSVOWUXHGLLTSV-LBTNJELSSA-N 2 2 348.491 1.976 20 0 EDADLP Cc1nccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1Cl ZINC000666621637 453016016 /nfs/dbraw/zinc/01/60/16/453016016.db2.gz NFXTXGIRTZYVMA-UHFFFAOYSA-N 2 2 327.860 1.470 20 0 EDADLP Cc1nccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1Cl ZINC000666621637 453016031 /nfs/dbraw/zinc/01/60/31/453016031.db2.gz NFXTXGIRTZYVMA-UHFFFAOYSA-N 2 2 327.860 1.470 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320737 453037227 /nfs/dbraw/zinc/03/72/27/453037227.db2.gz WCMIKFHYQQHSPY-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320737 453037236 /nfs/dbraw/zinc/03/72/36/453037236.db2.gz WCMIKFHYQQHSPY-DLBZAZTESA-N 2 2 325.497 1.820 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000418614755 304519509 /nfs/dbraw/zinc/51/95/09/304519509.db2.gz JXCBPKPPJWISPN-ZDUSSCGKSA-N 2 2 340.855 1.393 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000662427878 453135538 /nfs/dbraw/zinc/13/55/38/453135538.db2.gz DGLKFWLIOHQFGZ-GFCCVEGCSA-N 2 2 344.228 1.232 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000377176758 300177505 /nfs/dbraw/zinc/17/75/05/300177505.db2.gz VUQJSKRAQHMRAO-FUHWJXTLSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000377176758 300177509 /nfs/dbraw/zinc/17/75/09/300177509.db2.gz VUQJSKRAQHMRAO-FUHWJXTLSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1CC(C)(C)O ZINC000377176758 300177511 /nfs/dbraw/zinc/17/75/11/300177511.db2.gz VUQJSKRAQHMRAO-FUHWJXTLSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1CC(C)(C)O ZINC000377176758 300177513 /nfs/dbraw/zinc/17/75/13/300177513.db2.gz VUQJSKRAQHMRAO-FUHWJXTLSA-N 2 2 345.487 1.565 20 0 EDADLP C[C@H]1C[NH+](C[C@@H]2CCCN2CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000191463001 300266023 /nfs/dbraw/zinc/26/60/23/300266023.db2.gz PQDTWLJBOHQFHH-XSLAGTTESA-N 2 2 325.497 1.281 20 0 EDADLP C[C@H]1C[NH+](C[C@@H]2CCCN2CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000191463001 300266026 /nfs/dbraw/zinc/26/60/26/300266026.db2.gz PQDTWLJBOHQFHH-XSLAGTTESA-N 2 2 325.497 1.281 20 0 EDADLP Cn1ncc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000294190956 303075405 /nfs/dbraw/zinc/07/54/05/303075405.db2.gz QYXKZCGXDYJNGV-SFHVURJKSA-N 2 2 328.464 1.284 20 0 EDADLP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn(CC(=O)OC)nn2)c1 ZINC000296499862 303321296 /nfs/dbraw/zinc/32/12/96/303321296.db2.gz QWXYYPBKQHTFLG-UHFFFAOYSA-N 2 2 345.447 1.583 20 0 EDADLP CC(C)(CNC(=O)C[NH2+][C@@H]1CCc2c1cccc2O)[NH+]1CCOCC1 ZINC000296743383 303335277 /nfs/dbraw/zinc/33/52/77/303335277.db2.gz OLXIRKPTPOPUNR-MRXNPFEDSA-N 2 2 347.459 1.196 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](Cn2cccn2)C(C)C)nc[nH+]1 ZINC000296778048 303337222 /nfs/dbraw/zinc/33/72/22/303337222.db2.gz KRERDOJIBLPQEB-JKSUJKDBSA-N 2 2 343.479 1.998 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)[NH+]1CCC(C)CC1 ZINC000297696444 303430094 /nfs/dbraw/zinc/43/00/94/303430094.db2.gz ACDUUKTVMKPOFX-AWEZNQCLSA-N 2 2 343.431 1.509 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000377746020 447332991 /nfs/dbraw/zinc/33/29/91/447332991.db2.gz OVWXOIAELLFKHF-LSDHHAIUSA-N 2 2 329.404 1.397 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000301472043 303679990 /nfs/dbraw/zinc/67/99/90/303679990.db2.gz PUAPFKMMPRLWHN-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CC[NH+](C[C@@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000301553541 303684219 /nfs/dbraw/zinc/68/42/19/303684219.db2.gz MWNYRTXUSGPGAE-IRXDYDNUSA-N 2 2 345.491 1.871 20 0 EDADLP Cn1ccc(N2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2=O)n1 ZINC000360092196 303828330 /nfs/dbraw/zinc/82/83/30/303828330.db2.gz HQWFEYJLFVFNFX-MRXNPFEDSA-N 2 2 336.399 1.501 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420912340 304783034 /nfs/dbraw/zinc/78/30/34/304783034.db2.gz HMXLHWWIQIUMDD-FQEVSTJZSA-N 2 2 347.503 1.407 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000422958625 304881062 /nfs/dbraw/zinc/88/10/62/304881062.db2.gz PQHATPOXKRKPHL-MAUKXSAKSA-N 2 2 331.460 1.666 20 0 EDADLP CCOC(=O)c1csc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000423076781 304884344 /nfs/dbraw/zinc/88/43/44/304884344.db2.gz ZSROHDNBEHHPQD-UKRRQHHQSA-N 2 2 339.461 1.219 20 0 EDADLP CC(C)(C[NH3+])C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923188 304917233 /nfs/dbraw/zinc/91/72/33/304917233.db2.gz BPUWWMDLEFFEQD-CQSZACIVSA-N 2 2 332.448 1.646 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000427298507 304988117 /nfs/dbraw/zinc/98/81/17/304988117.db2.gz CYRYUVGRKNFQQW-CABCVRRESA-N 2 2 337.489 1.579 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCCCSc1ccccc1 ZINC000428054904 305005846 /nfs/dbraw/zinc/00/58/46/305005846.db2.gz PKVGSMFQDBRUGN-WBVHZDCISA-N 2 2 333.501 1.969 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCCCSc1ccccc1 ZINC000428054904 305005847 /nfs/dbraw/zinc/00/58/47/305005847.db2.gz PKVGSMFQDBRUGN-WBVHZDCISA-N 2 2 333.501 1.969 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428054850 305005941 /nfs/dbraw/zinc/00/59/41/305005941.db2.gz PFVWUMAZHRNBLZ-JJRVBVJISA-N 2 2 347.459 1.565 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428054850 305005942 /nfs/dbraw/zinc/00/59/42/305005942.db2.gz PFVWUMAZHRNBLZ-JJRVBVJISA-N 2 2 347.459 1.565 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)ncn1 ZINC000428245891 305008821 /nfs/dbraw/zinc/00/88/21/305008821.db2.gz XJPGZVZFQLPJTG-SFHVURJKSA-N 2 2 333.480 1.012 20 0 EDADLP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)ncn1 ZINC000428245891 305008822 /nfs/dbraw/zinc/00/88/22/305008822.db2.gz XJPGZVZFQLPJTG-SFHVURJKSA-N 2 2 333.480 1.012 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2Cc3cccc(O)c3C2)CC1 ZINC000428953790 305020796 /nfs/dbraw/zinc/02/07/96/305020796.db2.gz HGDGFKRAZYYCSP-HNNXBMFYSA-N 2 2 346.475 1.185 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCCOc3ccc(F)cc3)C2)C1 ZINC000429010658 305022301 /nfs/dbraw/zinc/02/23/01/305022301.db2.gz RBSOIFBANJFZRH-SFHVURJKSA-N 2 2 335.423 1.348 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCCOc3ccc(F)cc3)C2)C1 ZINC000429010658 305022302 /nfs/dbraw/zinc/02/23/02/305022302.db2.gz RBSOIFBANJFZRH-SFHVURJKSA-N 2 2 335.423 1.348 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCCOc3ccc(F)cc3)C2)C1 ZINC000429010658 305022303 /nfs/dbraw/zinc/02/23/03/305022303.db2.gz RBSOIFBANJFZRH-SFHVURJKSA-N 2 2 335.423 1.348 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCCOc3ccc(F)cc3)C2)C1 ZINC000429010658 305022304 /nfs/dbraw/zinc/02/23/04/305022304.db2.gz RBSOIFBANJFZRH-SFHVURJKSA-N 2 2 335.423 1.348 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000430567247 305056110 /nfs/dbraw/zinc/05/61/10/305056110.db2.gz UNXZKIHRHUOGEN-UHFFFAOYSA-N 2 2 337.464 1.579 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000430567247 305056111 /nfs/dbraw/zinc/05/61/11/305056111.db2.gz UNXZKIHRHUOGEN-UHFFFAOYSA-N 2 2 337.464 1.579 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430568482 305056259 /nfs/dbraw/zinc/05/62/59/305056259.db2.gz CPWAPNDMCKQERE-MRXNPFEDSA-N 2 2 327.856 1.928 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C3CC3)CC2)c1 ZINC000430573968 305056606 /nfs/dbraw/zinc/05/66/06/305056606.db2.gz RPAKJMWCIRKHGJ-LJQANCHMSA-N 2 2 330.476 1.361 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)c1 ZINC000430587822 305057369 /nfs/dbraw/zinc/05/73/69/305057369.db2.gz ASWPCGKZSQNYNM-IBGZPJMESA-N 2 2 333.476 1.945 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430606332 305058349 /nfs/dbraw/zinc/05/83/49/305058349.db2.gz VBDRFPOAGZKGME-GOSISDBHSA-N 2 2 333.476 1.899 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430606332 305058350 /nfs/dbraw/zinc/05/83/50/305058350.db2.gz VBDRFPOAGZKGME-GOSISDBHSA-N 2 2 333.476 1.899 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430604412 305058371 /nfs/dbraw/zinc/05/83/71/305058371.db2.gz NBSUQKKNOMAONA-INIZCTEOSA-N 2 2 341.459 1.420 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430604412 305058372 /nfs/dbraw/zinc/05/83/72/305058372.db2.gz NBSUQKKNOMAONA-INIZCTEOSA-N 2 2 341.459 1.420 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C3CC[NH2+]CC3)CC2)c1 ZINC000430608883 305058579 /nfs/dbraw/zinc/05/85/79/305058579.db2.gz FPLIXNZOJIBDCQ-UHFFFAOYSA-N 3 2 344.503 1.323 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C3CC[NH2+]CC3)CC2)c1 ZINC000430608883 305058580 /nfs/dbraw/zinc/05/85/80/305058580.db2.gz FPLIXNZOJIBDCQ-UHFFFAOYSA-N 3 2 344.503 1.323 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1CC[NH2+]CC1 ZINC000430635490 305060660 /nfs/dbraw/zinc/06/06/60/305060660.db2.gz VOSMEKSNAWSUGF-UHFFFAOYSA-N 2 2 327.331 1.630 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C1CC[NH2+]CC1 ZINC000430635490 305060661 /nfs/dbraw/zinc/06/06/61/305060661.db2.gz VOSMEKSNAWSUGF-UHFFFAOYSA-N 2 2 327.331 1.630 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000430639445 305060686 /nfs/dbraw/zinc/06/06/86/305060686.db2.gz FNZZVVHAVSADKS-CHWSQXEVSA-N 2 2 333.432 1.447 20 0 EDADLP C[NH2+]C[C@@H]1CCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000430928076 305068745 /nfs/dbraw/zinc/06/87/45/305068745.db2.gz SLVICPODHRICIF-ZDUSSCGKSA-N 2 2 337.493 1.219 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000430955502 305070785 /nfs/dbraw/zinc/07/07/85/305070785.db2.gz ASQHFUIGUKZKHG-CYBMUJFWSA-N 2 2 330.457 1.854 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000430955502 305070786 /nfs/dbraw/zinc/07/07/86/305070786.db2.gz ASQHFUIGUKZKHG-CYBMUJFWSA-N 2 2 330.457 1.854 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@H]1[NH3+] ZINC000430964377 305071548 /nfs/dbraw/zinc/07/15/48/305071548.db2.gz DUGLCGIIVPATHS-CZUORRHYSA-N 2 2 326.444 1.722 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@H]1[NH3+] ZINC000430964377 305071549 /nfs/dbraw/zinc/07/15/49/305071549.db2.gz DUGLCGIIVPATHS-CZUORRHYSA-N 2 2 326.444 1.722 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CCCCCC[C@@H]3[NH3+])CC2)cn1 ZINC000430999191 305072353 /nfs/dbraw/zinc/07/23/53/305072353.db2.gz BGVVGOCNIWEJMM-IRXDYDNUSA-N 2 2 333.480 1.362 20 0 EDADLP CCn1ccnc1CN(Cc1c[nH+]cn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000432056995 305086399 /nfs/dbraw/zinc/08/63/99/305086399.db2.gz IMJCLPUOCLTGFE-MRXNPFEDSA-N 2 2 328.464 1.781 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433322096 305105739 /nfs/dbraw/zinc/10/57/39/305105739.db2.gz ZGZJXBOQTKYLNH-MRXNPFEDSA-N 2 2 345.447 1.702 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433322096 305105740 /nfs/dbraw/zinc/10/57/40/305105740.db2.gz ZGZJXBOQTKYLNH-MRXNPFEDSA-N 2 2 345.447 1.702 20 0 EDADLP CCOc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000435377412 305139276 /nfs/dbraw/zinc/13/92/76/305139276.db2.gz BFDSFHJCXWALQR-HOCLYGCPSA-N 2 2 349.475 1.864 20 0 EDADLP CCOc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000435377412 305139277 /nfs/dbraw/zinc/13/92/77/305139277.db2.gz BFDSFHJCXWALQR-HOCLYGCPSA-N 2 2 349.475 1.864 20 0 EDADLP Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000436115968 305152837 /nfs/dbraw/zinc/15/28/37/305152837.db2.gz RTCPHBLUDSSGAM-UHFFFAOYSA-N 2 2 341.459 1.875 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)n1C ZINC000436481259 305158293 /nfs/dbraw/zinc/15/82/93/305158293.db2.gz VTKPHBZEDVOSTK-UHFFFAOYSA-N 2 2 335.496 1.611 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC000438187163 305182734 /nfs/dbraw/zinc/18/27/34/305182734.db2.gz GNIUSFFKSGFUJI-SJKOYZFVSA-N 2 2 334.464 1.635 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1C ZINC000438187163 305182735 /nfs/dbraw/zinc/18/27/35/305182735.db2.gz GNIUSFFKSGFUJI-SJKOYZFVSA-N 2 2 334.464 1.635 20 0 EDADLP CSCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000439491809 305198537 /nfs/dbraw/zinc/19/85/37/305198537.db2.gz JDUPIDQMPYKBOV-UHFFFAOYSA-N 2 2 325.478 1.609 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)ccc2[nH+]1 ZINC000439583980 305200389 /nfs/dbraw/zinc/20/03/89/305200389.db2.gz AIPWLXZQOCHTKC-OAHLLOKOSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)ccc2[nH+]1 ZINC000439583980 305200390 /nfs/dbraw/zinc/20/03/90/305200390.db2.gz AIPWLXZQOCHTKC-OAHLLOKOSA-N 2 2 341.415 1.276 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c[nH+]1 ZINC000446270838 305262160 /nfs/dbraw/zinc/26/21/60/305262160.db2.gz HPTSCBZXUNAAOT-JCKWVBRZSA-N 2 2 332.448 1.296 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3C[NH2+]CCCO3)cn2c1 ZINC000449713610 305317863 /nfs/dbraw/zinc/31/78/63/305317863.db2.gz YRCYSCAMGQNODX-HNNXBMFYSA-N 2 2 348.472 1.371 20 0 EDADLP FC(F)(F)Cn1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000450266430 305328911 /nfs/dbraw/zinc/32/89/11/305328911.db2.gz QUNGQPSPGFMJCN-UHFFFAOYSA-N 2 2 346.397 1.990 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1ccccn1 ZINC000451382065 305342764 /nfs/dbraw/zinc/34/27/64/305342764.db2.gz ZTSWVFBHSVMODC-MRXNPFEDSA-N 2 2 339.443 1.646 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccccn1 ZINC000451382065 305342765 /nfs/dbraw/zinc/34/27/65/305342765.db2.gz ZTSWVFBHSVMODC-MRXNPFEDSA-N 2 2 339.443 1.646 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(CC(=O)N3CC[NH+](Cc4ccsc4)CC3)C[C@@H]21 ZINC000451625543 305356969 /nfs/dbraw/zinc/35/69/69/305356969.db2.gz PYTLJTVVQCSMFQ-SJORKVTESA-N 2 2 348.516 1.028 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000514720981 305703302 /nfs/dbraw/zinc/70/33/02/305703302.db2.gz SNXIUJWMRAUCQH-XJKSGUPXSA-N 2 2 345.422 1.947 20 0 EDADLP Cc1cc(Br)cn2c(CN(CC[NH3+])CCO)c[nH+]c12 ZINC000414917543 447355965 /nfs/dbraw/zinc/35/59/65/447355965.db2.gz WHKOQNPNTCZUHZ-UHFFFAOYSA-N 2 2 327.226 1.158 20 0 EDADLP COCCOC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000518758060 305763528 /nfs/dbraw/zinc/76/35/28/305763528.db2.gz QCILCSFGTYZWST-KBPBESRZSA-N 2 2 325.453 1.109 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000527974995 305861468 /nfs/dbraw/zinc/86/14/68/305861468.db2.gz PTYCMSYXHXALPZ-HUUCEWRRSA-N 2 2 343.431 1.517 20 0 EDADLP CN(C)c1cc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc[nH+]1 ZINC000530890348 305948870 /nfs/dbraw/zinc/94/88/70/305948870.db2.gz UOAQMQNJRFXYEE-UHFFFAOYSA-N 2 2 342.447 1.732 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2nnc(-c3ccco3)o2)C1 ZINC000534309463 306005838 /nfs/dbraw/zinc/00/58/38/306005838.db2.gz XJLUPUSXSPQHRR-LLVKDONJSA-N 2 2 342.359 1.491 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2nnc(-c3ccco3)o2)C1 ZINC000534309463 306005839 /nfs/dbraw/zinc/00/58/39/306005839.db2.gz XJLUPUSXSPQHRR-LLVKDONJSA-N 2 2 342.359 1.491 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H](C)C[NH+]3CCOCC3)sc2C1 ZINC000535048342 306011574 /nfs/dbraw/zinc/01/15/74/306011574.db2.gz MLYUMRHRSUNTSH-GFCCVEGCSA-N 2 2 338.477 1.428 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)[C@H](C)C[NH+]3CCOCC3)sc2C1 ZINC000535048342 306011575 /nfs/dbraw/zinc/01/15/75/306011575.db2.gz MLYUMRHRSUNTSH-GFCCVEGCSA-N 2 2 338.477 1.428 20 0 EDADLP Cn1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000535741436 306015875 /nfs/dbraw/zinc/01/58/75/306015875.db2.gz XUUHGHUEIGCNJX-UHFFFAOYSA-N 2 2 348.495 1.170 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000542312565 306052935 /nfs/dbraw/zinc/05/29/35/306052935.db2.gz YLPCLOYTRDBINT-NVXWUHKLSA-N 2 2 343.475 1.704 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000542312565 306052936 /nfs/dbraw/zinc/05/29/36/306052936.db2.gz YLPCLOYTRDBINT-NVXWUHKLSA-N 2 2 343.475 1.704 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547629111 306105632 /nfs/dbraw/zinc/10/56/32/306105632.db2.gz UQEQIMPIJDTNNO-ZDUSSCGKSA-N 2 2 328.420 1.273 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000548622779 306132651 /nfs/dbraw/zinc/13/26/51/306132651.db2.gz RVOFJPLPMUOWIT-OAHLLOKOSA-N 2 2 328.416 1.455 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000548622778 306132655 /nfs/dbraw/zinc/13/26/55/306132655.db2.gz RVOFJPLPMUOWIT-HNNXBMFYSA-N 2 2 328.416 1.455 20 0 EDADLP CC(C)(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1c[nH]c[nH+]1 ZINC000548735602 306136331 /nfs/dbraw/zinc/13/63/31/306136331.db2.gz XPLQWZWRVOWOPY-UHFFFAOYSA-N 2 2 334.464 1.839 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000548797727 306138627 /nfs/dbraw/zinc/13/86/27/306138627.db2.gz MKTJBJYWHYZCSX-UHFFFAOYSA-N 2 2 342.443 1.236 20 0 EDADLP Cc1nccc(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000549902501 306149656 /nfs/dbraw/zinc/14/96/56/306149656.db2.gz XFRVWTZVUUVQNW-UHFFFAOYSA-N 2 2 345.491 1.392 20 0 EDADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Cn2cc[nH+]c2)c2ccc(Cl)cc2)C1 ZINC000551942136 306169791 /nfs/dbraw/zinc/16/97/91/306169791.db2.gz BAGWPBZLDBLQBX-WBVHZDCISA-N 2 2 348.834 1.725 20 0 EDADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Cn2cc[nH+]c2)c2ccc(Cl)cc2)C1 ZINC000551942136 306169792 /nfs/dbraw/zinc/16/97/92/306169792.db2.gz BAGWPBZLDBLQBX-WBVHZDCISA-N 2 2 348.834 1.725 20 0 EDADLP C[C@H](C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1)[NH+]1CC(C)C1 ZINC000553329066 306184293 /nfs/dbraw/zinc/18/42/93/306184293.db2.gz UDKRRQOBKJBXRC-LSDHHAIUSA-N 2 2 332.448 1.263 20 0 EDADLP C[N@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000553511213 306186021 /nfs/dbraw/zinc/18/60/21/306186021.db2.gz SORRGYVOYWPHFJ-UHFFFAOYSA-N 2 2 348.410 1.619 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000553511213 306186022 /nfs/dbraw/zinc/18/60/22/306186022.db2.gz SORRGYVOYWPHFJ-UHFFFAOYSA-N 2 2 348.410 1.619 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000554454730 306191863 /nfs/dbraw/zinc/19/18/63/306191863.db2.gz UVUOSGLYZDPYTH-MOPGFXCFSA-N 2 2 347.503 1.776 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000554454730 306191864 /nfs/dbraw/zinc/19/18/64/306191864.db2.gz UVUOSGLYZDPYTH-MOPGFXCFSA-N 2 2 347.503 1.776 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000556686463 306214013 /nfs/dbraw/zinc/21/40/13/306214013.db2.gz LQGFNHWGJJEHSA-QGZVFWFLSA-N 3 2 338.540 1.591 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000556686463 306214014 /nfs/dbraw/zinc/21/40/14/306214014.db2.gz LQGFNHWGJJEHSA-QGZVFWFLSA-N 3 2 338.540 1.591 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000657093303 453676970 /nfs/dbraw/zinc/67/69/70/453676970.db2.gz WWDKKJZNSYGFJY-UHFFFAOYSA-N 2 2 347.912 1.810 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000657093303 453676973 /nfs/dbraw/zinc/67/69/73/453676973.db2.gz WWDKKJZNSYGFJY-UHFFFAOYSA-N 2 2 347.912 1.810 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CCC([NH+](C)C)CC2)CCO1 ZINC000422247744 447421791 /nfs/dbraw/zinc/42/17/91/447421791.db2.gz XPKSKUSOBAACPZ-UYSNPLJNSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CCC([NH+](C)C)CC2)CCO1 ZINC000422247744 447421799 /nfs/dbraw/zinc/42/17/99/447421799.db2.gz XPKSKUSOBAACPZ-UYSNPLJNSA-N 2 2 326.485 1.269 20 0 EDADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](CO)CC(C)(C)C ZINC000458586530 447423092 /nfs/dbraw/zinc/42/30/92/447423092.db2.gz ITJIWVWSDRBTFC-MRXNPFEDSA-N 2 2 342.528 1.451 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458620514 447427761 /nfs/dbraw/zinc/42/77/61/447427761.db2.gz NQNIXTQXSXEWPC-OAHLLOKOSA-N 2 2 329.448 1.782 20 0 EDADLP c1ccc(OCC[NH+]2CCN(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000097727315 441144146 /nfs/dbraw/zinc/14/41/46/441144146.db2.gz RURYDSPSTCNUCZ-UHFFFAOYSA-N 2 2 333.476 1.405 20 0 EDADLP CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000104949797 441223160 /nfs/dbraw/zinc/22/31/60/441223160.db2.gz LHLYGSFYBVUVRF-INIZCTEOSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000104949797 441223164 /nfs/dbraw/zinc/22/31/64/441223164.db2.gz LHLYGSFYBVUVRF-INIZCTEOSA-N 2 2 325.497 1.724 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000072857900 441271089 /nfs/dbraw/zinc/27/10/89/441271089.db2.gz XWIWEOBMWLKVKZ-LSDHHAIUSA-N 2 2 346.475 1.647 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000072857900 441271095 /nfs/dbraw/zinc/27/10/95/441271095.db2.gz XWIWEOBMWLKVKZ-LSDHHAIUSA-N 2 2 346.475 1.647 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000072857900 441271096 /nfs/dbraw/zinc/27/10/96/441271096.db2.gz XWIWEOBMWLKVKZ-LSDHHAIUSA-N 2 2 346.475 1.647 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)C1 ZINC000072857900 441271099 /nfs/dbraw/zinc/27/10/99/441271099.db2.gz XWIWEOBMWLKVKZ-LSDHHAIUSA-N 2 2 346.475 1.647 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000072997210 441283912 /nfs/dbraw/zinc/28/39/12/441283912.db2.gz ZOPRQTRVDMDHNH-HNNXBMFYSA-N 2 2 334.464 1.589 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000073872698 441364608 /nfs/dbraw/zinc/36/46/08/441364608.db2.gz HYBBHGQZXBPVAM-FQEVSTJZSA-N 2 2 347.503 1.196 20 0 EDADLP Cc1ccccc1C[N@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000073872698 441364610 /nfs/dbraw/zinc/36/46/10/441364610.db2.gz HYBBHGQZXBPVAM-FQEVSTJZSA-N 2 2 347.503 1.196 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107833413 441432358 /nfs/dbraw/zinc/43/23/58/441432358.db2.gz GJBPHRZBUGWASM-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP CN(Cc1cccnc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000109360157 441497188 /nfs/dbraw/zinc/49/71/88/441497188.db2.gz DLJIHEUNLNIBCE-UHFFFAOYSA-N 2 2 345.491 1.782 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000076002445 441576592 /nfs/dbraw/zinc/57/65/92/441576592.db2.gz KQAWDVSLVWSLTG-SJORKVTESA-N 2 2 346.475 1.525 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000076002445 441576595 /nfs/dbraw/zinc/57/65/95/441576595.db2.gz KQAWDVSLVWSLTG-SJORKVTESA-N 2 2 346.475 1.525 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000054609773 441587393 /nfs/dbraw/zinc/58/73/93/441587393.db2.gz JJHMTMRDVIFGMB-CYBMUJFWSA-N 2 2 339.403 1.660 20 0 EDADLP Cc1cccc(CNC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000089926391 441596429 /nfs/dbraw/zinc/59/64/29/441596429.db2.gz CXCDIXFDJAMCIX-UHFFFAOYSA-N 2 2 327.432 1.167 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H](C[NH+](C)C)C3)CC2)c1 ZINC000113513314 441612502 /nfs/dbraw/zinc/61/25/02/441612502.db2.gz HWSKTDURKZSAOS-GOSISDBHSA-N 2 2 344.503 1.527 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH+](C)C)C3)CC2)c1 ZINC000113513314 441612508 /nfs/dbraw/zinc/61/25/08/441612508.db2.gz HWSKTDURKZSAOS-GOSISDBHSA-N 2 2 344.503 1.527 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516003 441612771 /nfs/dbraw/zinc/61/27/71/441612771.db2.gz HUPOYEQSZXUKKZ-OAHLLOKOSA-N 2 2 331.460 1.858 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516003 441612776 /nfs/dbraw/zinc/61/27/76/441612776.db2.gz HUPOYEQSZXUKKZ-OAHLLOKOSA-N 2 2 331.460 1.858 20 0 EDADLP CCO[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000076399892 441641759 /nfs/dbraw/zinc/64/17/59/441641759.db2.gz AXTWXRZCNTVYMU-INIZCTEOSA-N 2 2 335.448 1.425 20 0 EDADLP CCO[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000076399892 441641761 /nfs/dbraw/zinc/64/17/61/441641761.db2.gz AXTWXRZCNTVYMU-INIZCTEOSA-N 2 2 335.448 1.425 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000114478970 441662103 /nfs/dbraw/zinc/66/21/03/441662103.db2.gz LQUGQPLKMVGLRM-MRXNPFEDSA-N 2 2 341.459 1.372 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000114478970 441662109 /nfs/dbraw/zinc/66/21/09/441662109.db2.gz LQUGQPLKMVGLRM-MRXNPFEDSA-N 2 2 341.459 1.372 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000114479849 441663149 /nfs/dbraw/zinc/66/31/49/441663149.db2.gz HYOCMCDZORMECU-SFHVURJKSA-N 2 2 333.476 1.723 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000114479849 441663151 /nfs/dbraw/zinc/66/31/51/441663151.db2.gz HYOCMCDZORMECU-SFHVURJKSA-N 2 2 333.476 1.723 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000114480104 441663852 /nfs/dbraw/zinc/66/38/52/441663852.db2.gz RSIOBGHGJXSFPF-AWEZNQCLSA-N 2 2 346.500 1.839 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000114480104 441663854 /nfs/dbraw/zinc/66/38/54/441663854.db2.gz RSIOBGHGJXSFPF-AWEZNQCLSA-N 2 2 346.500 1.839 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121609823 441742420 /nfs/dbraw/zinc/74/24/20/441742420.db2.gz IYMGUUYYTVBSAN-FJIDUMEYSA-N 2 2 349.519 1.866 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121609823 441742424 /nfs/dbraw/zinc/74/24/24/441742424.db2.gz IYMGUUYYTVBSAN-FJIDUMEYSA-N 2 2 349.519 1.866 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(=O)OC ZINC000173529243 441779569 /nfs/dbraw/zinc/77/95/69/441779569.db2.gz HPQQHOADSIKWLT-DSJMHWKBSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(=O)OC ZINC000173529243 441779571 /nfs/dbraw/zinc/77/95/71/441779571.db2.gz HPQQHOADSIKWLT-DSJMHWKBSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC ZINC000173529243 441779577 /nfs/dbraw/zinc/77/95/77/441779577.db2.gz HPQQHOADSIKWLT-DSJMHWKBSA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC ZINC000173529243 441779581 /nfs/dbraw/zinc/77/95/81/441779581.db2.gz HPQQHOADSIKWLT-DSJMHWKBSA-N 2 2 327.469 1.105 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000068515888 441811830 /nfs/dbraw/zinc/81/18/30/441811830.db2.gz AXFSRKNDUZSWOE-LJQANCHMSA-N 2 2 346.519 1.823 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000068515888 441811836 /nfs/dbraw/zinc/81/18/36/441811836.db2.gz AXFSRKNDUZSWOE-LJQANCHMSA-N 2 2 346.519 1.823 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000173642252 441811942 /nfs/dbraw/zinc/81/19/42/441811942.db2.gz UEXPDRBPGDBLGH-DLBZAZTESA-N 2 2 347.503 1.995 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000173642926 441813151 /nfs/dbraw/zinc/81/31/51/441813151.db2.gz ZBFQGLHBZGGPSP-GOSISDBHSA-N 2 2 331.460 1.707 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c[nH]1 ZINC000093147909 441860640 /nfs/dbraw/zinc/86/06/40/441860640.db2.gz YMTQSZQIIJOWNW-MRXNPFEDSA-N 2 2 334.464 1.403 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c[nH]1 ZINC000093147909 441860642 /nfs/dbraw/zinc/86/06/42/441860642.db2.gz YMTQSZQIIJOWNW-MRXNPFEDSA-N 2 2 334.464 1.403 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](COc3ccccc3)C2)CC1 ZINC000093174826 441862341 /nfs/dbraw/zinc/86/23/41/441862341.db2.gz ZZXIFBLGFSWDER-QGZVFWFLSA-N 2 2 331.460 1.551 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](COc3ccccc3)C2)CC1 ZINC000093174826 441862343 /nfs/dbraw/zinc/86/23/43/441862343.db2.gz ZZXIFBLGFSWDER-QGZVFWFLSA-N 2 2 331.460 1.551 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000122917198 441867577 /nfs/dbraw/zinc/86/75/77/441867577.db2.gz BMJGJMQTOCPABC-UHFFFAOYSA-N 2 2 335.496 1.805 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000122917198 441867580 /nfs/dbraw/zinc/86/75/80/441867580.db2.gz BMJGJMQTOCPABC-UHFFFAOYSA-N 2 2 335.496 1.805 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)NCC[NH+]1Cc2ccccc2C1 ZINC000068636009 441833261 /nfs/dbraw/zinc/83/32/61/441833261.db2.gz JKRQEAVCGWVNGF-UHFFFAOYSA-N 2 2 327.432 1.978 20 0 EDADLP CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123868605 441902522 /nfs/dbraw/zinc/90/25/22/441902522.db2.gz OCMHZXVMWWTSNU-MSOLQXFVSA-N 2 2 342.443 1.679 20 0 EDADLP CC[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123868605 441902524 /nfs/dbraw/zinc/90/25/24/441902524.db2.gz OCMHZXVMWWTSNU-MSOLQXFVSA-N 2 2 342.443 1.679 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)C[C@H]1CCC[NH+](C)C1 ZINC000118841543 441905517 /nfs/dbraw/zinc/90/55/17/441905517.db2.gz YTQOAFLHKSTNND-JKSUJKDBSA-N 2 2 347.459 1.216 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)C[C@H]1CCC[NH+](C)C1 ZINC000118841543 441905521 /nfs/dbraw/zinc/90/55/21/441905521.db2.gz YTQOAFLHKSTNND-JKSUJKDBSA-N 2 2 347.459 1.216 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1COc2ccccc2O1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841543 441905525 /nfs/dbraw/zinc/90/55/25/441905525.db2.gz YTQOAFLHKSTNND-JKSUJKDBSA-N 2 2 347.459 1.216 20 0 EDADLP C[NH+](CC(=O)NC[C@@H]1COc2ccccc2O1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841543 441905529 /nfs/dbraw/zinc/90/55/29/441905529.db2.gz YTQOAFLHKSTNND-JKSUJKDBSA-N 2 2 347.459 1.216 20 0 EDADLP O=C(CC[N@H+]1CCCC[C@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000069250017 441909873 /nfs/dbraw/zinc/90/98/73/441909873.db2.gz KSFPFYNCJTYANM-KRWDZBQOSA-N 2 2 346.475 1.357 20 0 EDADLP O=C(CC[N@@H+]1CCCC[C@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000069250017 441909878 /nfs/dbraw/zinc/90/98/78/441909878.db2.gz KSFPFYNCJTYANM-KRWDZBQOSA-N 2 2 346.475 1.357 20 0 EDADLP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000117878426 441881220 /nfs/dbraw/zinc/88/12/20/441881220.db2.gz GEOXESKXCPERPY-SFHVURJKSA-N 2 2 332.444 1.945 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4cccc(F)c4C3)cn2)CC1 ZINC000093454282 441886362 /nfs/dbraw/zinc/88/63/62/441886362.db2.gz FOVLDOZHRGNCIB-UHFFFAOYSA-N 2 2 341.434 1.926 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4cccc(F)c4C3)cn2)CC1 ZINC000093454282 441886366 /nfs/dbraw/zinc/88/63/66/441886366.db2.gz FOVLDOZHRGNCIB-UHFFFAOYSA-N 2 2 341.434 1.926 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC000123453365 441888293 /nfs/dbraw/zinc/88/82/93/441888293.db2.gz BGXAZXJGSZIKPC-HUUCEWRRSA-N 2 2 325.478 1.379 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC000123453365 441888298 /nfs/dbraw/zinc/88/82/98/441888298.db2.gz BGXAZXJGSZIKPC-HUUCEWRRSA-N 2 2 325.478 1.379 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2)CC[NH+]1C ZINC000123453365 441888304 /nfs/dbraw/zinc/88/83/04/441888304.db2.gz BGXAZXJGSZIKPC-HUUCEWRRSA-N 2 2 325.478 1.379 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2)CC[NH+]1C ZINC000123453365 441888308 /nfs/dbraw/zinc/88/83/08/441888308.db2.gz BGXAZXJGSZIKPC-HUUCEWRRSA-N 2 2 325.478 1.379 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000174170673 441898195 /nfs/dbraw/zinc/89/81/95/441898195.db2.gz ULDDVIXKLNTLQO-FUHWJXTLSA-N 2 2 331.460 1.470 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCOC1 ZINC000078449182 441931423 /nfs/dbraw/zinc/93/14/23/441931423.db2.gz DSCKBHVYXQZRJU-SFHVURJKSA-N 2 2 331.460 1.299 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCOC1 ZINC000078449182 441931430 /nfs/dbraw/zinc/93/14/30/441931430.db2.gz DSCKBHVYXQZRJU-SFHVURJKSA-N 2 2 331.460 1.299 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000078462974 441932947 /nfs/dbraw/zinc/93/29/47/441932947.db2.gz VVVKEPRWVCVWKY-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000174582846 441942051 /nfs/dbraw/zinc/94/20/51/441942051.db2.gz ORYOSXDBZUZPSN-KRWDZBQOSA-N 2 2 328.416 1.268 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000174582846 441942055 /nfs/dbraw/zinc/94/20/55/441942055.db2.gz ORYOSXDBZUZPSN-KRWDZBQOSA-N 2 2 328.416 1.268 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150764384 441945760 /nfs/dbraw/zinc/94/57/60/441945760.db2.gz NQRYGBDZKWCZGQ-QGZVFWFLSA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150764384 441945765 /nfs/dbraw/zinc/94/57/65/441945765.db2.gz NQRYGBDZKWCZGQ-QGZVFWFLSA-N 2 2 331.460 1.729 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150832908 441959796 /nfs/dbraw/zinc/95/97/96/441959796.db2.gz OHHCOUFBQMGPHF-LJQANCHMSA-N 2 2 345.487 1.867 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150832908 441959802 /nfs/dbraw/zinc/95/98/02/441959802.db2.gz OHHCOUFBQMGPHF-LJQANCHMSA-N 2 2 345.487 1.867 20 0 EDADLP CCn1nccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120000048 441991575 /nfs/dbraw/zinc/99/15/75/441991575.db2.gz RMGNFCYNWTYKLW-UHFFFAOYSA-N 2 2 333.480 1.279 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000151005637 441989241 /nfs/dbraw/zinc/98/92/41/441989241.db2.gz QDMTWPUIOXTBIM-HIFRSBDPSA-N 2 2 348.472 1.765 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151235242 442028931 /nfs/dbraw/zinc/02/89/31/442028931.db2.gz ATOXFNMENDFOSA-MRXNPFEDSA-N 2 2 340.427 1.916 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000080052812 442110730 /nfs/dbraw/zinc/11/07/30/442110730.db2.gz FNAVCZABRGDOSA-INIZCTEOSA-N 2 2 335.452 1.088 20 0 EDADLP Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000162664463 442113433 /nfs/dbraw/zinc/11/34/33/442113433.db2.gz RUMRMDBGVHQHCX-KRWDZBQOSA-N 2 2 327.432 1.204 20 0 EDADLP Cc1cc(C)n(-c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cc2)n1 ZINC000162664463 442113435 /nfs/dbraw/zinc/11/34/35/442113435.db2.gz RUMRMDBGVHQHCX-KRWDZBQOSA-N 2 2 327.432 1.204 20 0 EDADLP Cn1c[nH+]cc1CNc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000126481833 442116237 /nfs/dbraw/zinc/11/62/37/442116237.db2.gz WDRFDJAOQOTLGY-HNNXBMFYSA-N 2 2 327.432 1.730 20 0 EDADLP Cn1c[nH+]cc1CNc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000126481833 442116240 /nfs/dbraw/zinc/11/62/40/442116240.db2.gz WDRFDJAOQOTLGY-HNNXBMFYSA-N 2 2 327.432 1.730 20 0 EDADLP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000162729409 442117793 /nfs/dbraw/zinc/11/77/93/442117793.db2.gz OBMLGMSHCZYTPR-OAHLLOKOSA-N 2 2 327.432 1.975 20 0 EDADLP CC[N@H+](CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000120693221 442118506 /nfs/dbraw/zinc/11/85/06/442118506.db2.gz MWSPJCZSQWYQEG-GOSISDBHSA-N 2 2 336.480 1.515 20 0 EDADLP CC[N@@H+](CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccccc1 ZINC000120693221 442118511 /nfs/dbraw/zinc/11/85/11/442118511.db2.gz MWSPJCZSQWYQEG-GOSISDBHSA-N 2 2 336.480 1.515 20 0 EDADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000126693619 442135110 /nfs/dbraw/zinc/13/51/10/442135110.db2.gz VVABPGOLJRBUCW-RYQLBKOJSA-N 2 2 330.476 1.893 20 0 EDADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000126693619 442135113 /nfs/dbraw/zinc/13/51/13/442135113.db2.gz VVABPGOLJRBUCW-RYQLBKOJSA-N 2 2 330.476 1.893 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151932901 442143187 /nfs/dbraw/zinc/14/31/87/442143187.db2.gz OFJKTJFLQSRHHU-SFHVURJKSA-N 2 2 333.476 1.686 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151932901 442143191 /nfs/dbraw/zinc/14/31/91/442143191.db2.gz OFJKTJFLQSRHHU-SFHVURJKSA-N 2 2 333.476 1.686 20 0 EDADLP COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000120873815 442145255 /nfs/dbraw/zinc/14/52/55/442145255.db2.gz GOHDYLAQXZZDGM-QGZVFWFLSA-N 2 2 331.460 1.476 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2COc3ccccc32)CC1 ZINC000175695169 442107298 /nfs/dbraw/zinc/10/72/98/442107298.db2.gz KISBARWTORRWBM-INIZCTEOSA-N 2 2 332.448 1.445 20 0 EDADLP COC(=O)C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000176105319 442177147 /nfs/dbraw/zinc/17/71/47/442177147.db2.gz WUSXHZISTFMNJD-QGZVFWFLSA-N 2 2 347.459 1.291 20 0 EDADLP CC1CC[NH+](CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000164131052 442190493 /nfs/dbraw/zinc/19/04/93/442190493.db2.gz OCXLRBKSGMKISZ-MRXNPFEDSA-N 2 2 331.464 1.691 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@H](C)C1 ZINC000168289724 442223954 /nfs/dbraw/zinc/22/39/54/442223954.db2.gz VYQQRNWLSNULJU-MSOLQXFVSA-N 3 2 341.540 1.824 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@H](C)C1 ZINC000168289724 442223958 /nfs/dbraw/zinc/22/39/58/442223958.db2.gz VYQQRNWLSNULJU-MSOLQXFVSA-N 3 2 341.540 1.824 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000170628870 442238689 /nfs/dbraw/zinc/23/86/89/442238689.db2.gz HDQZVHWEAVAEOV-SFHVURJKSA-N 2 2 345.487 1.878 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CCO1 ZINC000170628870 442238693 /nfs/dbraw/zinc/23/86/93/442238693.db2.gz HDQZVHWEAVAEOV-SFHVURJKSA-N 2 2 345.487 1.878 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000170628870 442238694 /nfs/dbraw/zinc/23/86/94/442238694.db2.gz HDQZVHWEAVAEOV-SFHVURJKSA-N 2 2 345.487 1.878 20 0 EDADLP CC1(C)C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC000170628870 442238698 /nfs/dbraw/zinc/23/86/98/442238698.db2.gz HDQZVHWEAVAEOV-SFHVURJKSA-N 2 2 345.487 1.878 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129180957 442304849 /nfs/dbraw/zinc/30/48/49/442304849.db2.gz NAYRMSXGKHBKLQ-GOSISDBHSA-N 2 2 331.460 1.299 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129180957 442304853 /nfs/dbraw/zinc/30/48/53/442304853.db2.gz NAYRMSXGKHBKLQ-GOSISDBHSA-N 2 2 331.460 1.299 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057063 442291758 /nfs/dbraw/zinc/29/17/58/442291758.db2.gz GVHUVYPCYQARSG-KKUMJFAQSA-N 2 2 327.469 1.105 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177057063 442291760 /nfs/dbraw/zinc/29/17/60/442291760.db2.gz GVHUVYPCYQARSG-KKUMJFAQSA-N 2 2 327.469 1.105 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057063 442291762 /nfs/dbraw/zinc/29/17/62/442291762.db2.gz GVHUVYPCYQARSG-KKUMJFAQSA-N 2 2 327.469 1.105 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057063 442291764 /nfs/dbraw/zinc/29/17/64/442291764.db2.gz GVHUVYPCYQARSG-KKUMJFAQSA-N 2 2 327.469 1.105 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171009125 442298443 /nfs/dbraw/zinc/29/84/43/442298443.db2.gz PRMNKDVIPJLMCN-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171009125 442298445 /nfs/dbraw/zinc/29/84/45/442298445.db2.gz PRMNKDVIPJLMCN-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCc2nc(C3CC3)no2)CC1 ZINC000177129975 442302297 /nfs/dbraw/zinc/30/22/97/442302297.db2.gz PWRVZTOSSYHVNU-UHFFFAOYSA-N 2 2 349.479 1.412 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000154083519 442320717 /nfs/dbraw/zinc/32/07/17/442320717.db2.gz ZFWCTIRCAMGODE-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000154083519 442320718 /nfs/dbraw/zinc/32/07/18/442320718.db2.gz ZFWCTIRCAMGODE-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP COCC[N@H+](C)CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000171201424 442326734 /nfs/dbraw/zinc/32/67/34/442326734.db2.gz VQAGVOATMFQMGZ-UHFFFAOYSA-N 2 2 331.420 1.250 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000171201424 442326736 /nfs/dbraw/zinc/32/67/36/442326736.db2.gz VQAGVOATMFQMGZ-UHFFFAOYSA-N 2 2 331.420 1.250 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000154621738 442348373 /nfs/dbraw/zinc/34/83/73/442348373.db2.gz UWGVIIPFWUIWDF-INIZCTEOSA-N 2 2 331.460 1.619 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000154621738 442348375 /nfs/dbraw/zinc/34/83/75/442348375.db2.gz UWGVIIPFWUIWDF-INIZCTEOSA-N 2 2 331.460 1.619 20 0 EDADLP CCO[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000156056680 442444851 /nfs/dbraw/zinc/44/48/51/442444851.db2.gz GZQMFJNMDWMLEZ-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP CCO[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000156056680 442444852 /nfs/dbraw/zinc/44/48/52/442444852.db2.gz GZQMFJNMDWMLEZ-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178781003 442483496 /nfs/dbraw/zinc/48/34/96/442483496.db2.gz BCHBMWNNDSZGFL-CQSZACIVSA-N 2 2 342.443 1.224 20 0 EDADLP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000191984245 442555019 /nfs/dbraw/zinc/55/50/19/442555019.db2.gz LFTOZEHCTDLXOE-KFWWJZLASA-N 2 2 348.495 1.890 20 0 EDADLP COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192020939 442571223 /nfs/dbraw/zinc/57/12/23/442571223.db2.gz FPJRJNOFGSYFGO-IAGOWNOFSA-N 2 2 329.400 1.943 20 0 EDADLP COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192020939 442571228 /nfs/dbraw/zinc/57/12/28/442571228.db2.gz FPJRJNOFGSYFGO-IAGOWNOFSA-N 2 2 329.400 1.943 20 0 EDADLP C[N@H+](CCCOc1ccc(Cl)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000157395268 442578826 /nfs/dbraw/zinc/57/88/26/442578826.db2.gz ZFPKBPNRFPXQLN-UHFFFAOYSA-N 2 2 339.867 1.815 20 0 EDADLP C[N@@H+](CCCOc1ccc(Cl)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000157395268 442578828 /nfs/dbraw/zinc/57/88/28/442578828.db2.gz ZFPKBPNRFPXQLN-UHFFFAOYSA-N 2 2 339.867 1.815 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000180219881 442561195 /nfs/dbraw/zinc/56/11/95/442561195.db2.gz XJDPODJDQYHJTP-HOTGVXAUSA-N 2 2 334.464 1.205 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccccn2)C1 ZINC000180219881 442561197 /nfs/dbraw/zinc/56/11/97/442561197.db2.gz XJDPODJDQYHJTP-HOTGVXAUSA-N 2 2 334.464 1.205 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CC[NH+](C(C)C)CC2)nc[nH+]1 ZINC000180630506 442637743 /nfs/dbraw/zinc/63/77/43/442637743.db2.gz ZYZIWPGWYQLXBL-MRXNPFEDSA-N 3 2 332.496 1.950 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@@H]1O ZINC000186813054 442615666 /nfs/dbraw/zinc/61/56/66/442615666.db2.gz FFHUBYTVOJEUIZ-QAPCUYQASA-N 2 2 347.459 1.160 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[C@@H]1O ZINC000186813054 442615671 /nfs/dbraw/zinc/61/56/71/442615671.db2.gz FFHUBYTVOJEUIZ-QAPCUYQASA-N 2 2 347.459 1.160 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000181031648 442676178 /nfs/dbraw/zinc/67/61/78/442676178.db2.gz PTNFHLOWVPGBNW-QZTJIDSGSA-N 2 2 331.460 1.660 20 0 EDADLP Cn1c(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)nnc1C1CCC1 ZINC000181508746 442700689 /nfs/dbraw/zinc/70/06/89/442700689.db2.gz VFSMLEMYEXDNKL-QGZVFWFLSA-N 2 2 346.523 1.685 20 0 EDADLP Cn1c(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)nnc1C1CCC1 ZINC000181508746 442700691 /nfs/dbraw/zinc/70/06/91/442700691.db2.gz VFSMLEMYEXDNKL-QGZVFWFLSA-N 2 2 346.523 1.685 20 0 EDADLP CCCCCNC(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283054 442733260 /nfs/dbraw/zinc/73/32/60/442733260.db2.gz JHQSBLHIDVPWJV-FQEVSTJZSA-N 2 2 347.503 1.862 20 0 EDADLP CCCCCNC(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283054 442733262 /nfs/dbraw/zinc/73/32/62/442733262.db2.gz JHQSBLHIDVPWJV-FQEVSTJZSA-N 2 2 347.503 1.862 20 0 EDADLP CCCCCNC(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188283054 442733265 /nfs/dbraw/zinc/73/32/65/442733265.db2.gz JHQSBLHIDVPWJV-FQEVSTJZSA-N 2 2 347.503 1.862 20 0 EDADLP CCCCCNC(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188283054 442733266 /nfs/dbraw/zinc/73/32/66/442733266.db2.gz JHQSBLHIDVPWJV-FQEVSTJZSA-N 2 2 347.503 1.862 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000188702538 442792207 /nfs/dbraw/zinc/79/22/07/442792207.db2.gz BRFUTZCIJZBAIG-DOTOQJQBSA-N 2 2 335.423 1.430 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1CC(C)(C)O ZINC000188707306 442793171 /nfs/dbraw/zinc/79/31/71/442793171.db2.gz HFWFEEFRHXFGSW-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1CC(C)(C)O ZINC000188707306 442793176 /nfs/dbraw/zinc/79/31/76/442793176.db2.gz HFWFEEFRHXFGSW-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000193612309 442759206 /nfs/dbraw/zinc/75/92/06/442759206.db2.gz TYCYDXSSBWYYEL-BMFZPTHFSA-N 2 2 347.459 1.202 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1OC ZINC000193612309 442759208 /nfs/dbraw/zinc/75/92/08/442759208.db2.gz TYCYDXSSBWYYEL-BMFZPTHFSA-N 2 2 347.459 1.202 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1OC ZINC000193612309 442759210 /nfs/dbraw/zinc/75/92/10/442759210.db2.gz TYCYDXSSBWYYEL-BMFZPTHFSA-N 2 2 347.459 1.202 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1OC ZINC000193612309 442759213 /nfs/dbraw/zinc/75/92/13/442759213.db2.gz TYCYDXSSBWYYEL-BMFZPTHFSA-N 2 2 347.459 1.202 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182475127 442772983 /nfs/dbraw/zinc/77/29/83/442772983.db2.gz GDMYMFOAROCFOR-KRWDZBQOSA-N 2 2 329.444 1.498 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182475127 442772988 /nfs/dbraw/zinc/77/29/88/442772988.db2.gz GDMYMFOAROCFOR-KRWDZBQOSA-N 2 2 329.444 1.498 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265457530 442780446 /nfs/dbraw/zinc/78/04/46/442780446.db2.gz DRLMTEDIMQDNSB-UKRRQHHQSA-N 2 2 347.463 1.994 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247071091 442833048 /nfs/dbraw/zinc/83/30/48/442833048.db2.gz WNPWCWAIXOOKNM-UGUYLWEFSA-N 2 2 338.496 1.805 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247071091 442833054 /nfs/dbraw/zinc/83/30/54/442833054.db2.gz WNPWCWAIXOOKNM-UGUYLWEFSA-N 2 2 338.496 1.805 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247071091 442833060 /nfs/dbraw/zinc/83/30/60/442833060.db2.gz WNPWCWAIXOOKNM-UGUYLWEFSA-N 2 2 338.496 1.805 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247071091 442833066 /nfs/dbraw/zinc/83/30/66/442833066.db2.gz WNPWCWAIXOOKNM-UGUYLWEFSA-N 2 2 338.496 1.805 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246948824 442823323 /nfs/dbraw/zinc/82/33/23/442823323.db2.gz NQONTIZGXVVGSW-HBPKQKSZSA-N 2 2 337.508 1.862 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246948824 442823327 /nfs/dbraw/zinc/82/33/27/442823327.db2.gz NQONTIZGXVVGSW-HBPKQKSZSA-N 2 2 337.508 1.862 20 0 EDADLP C=Cn1cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000194200087 442860797 /nfs/dbraw/zinc/86/07/97/442860797.db2.gz SHXQNRWFFZVMMZ-UHFFFAOYSA-N 2 2 327.436 1.076 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1noc(-c2ccccc2)n1 ZINC000182951352 442853937 /nfs/dbraw/zinc/85/39/37/442853937.db2.gz GBEKVRJQSHXLPU-UHFFFAOYSA-N 2 2 329.448 1.806 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1noc(-c2ccccc2)n1 ZINC000182951352 442853941 /nfs/dbraw/zinc/85/39/41/442853941.db2.gz GBEKVRJQSHXLPU-UHFFFAOYSA-N 2 2 329.448 1.806 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@@H]1C ZINC000265738448 442901884 /nfs/dbraw/zinc/90/18/84/442901884.db2.gz VAEHPEVTNNEOFY-AWEZNQCLSA-N 2 2 331.420 1.827 20 0 EDADLP COCC[N@H+]1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@@H]1C ZINC000265738448 442901887 /nfs/dbraw/zinc/90/18/87/442901887.db2.gz VAEHPEVTNNEOFY-AWEZNQCLSA-N 2 2 331.420 1.827 20 0 EDADLP Cc1cccc(O)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625501655 450397304 /nfs/dbraw/zinc/39/73/04/450397304.db2.gz GOZOUKUGUSFXJK-MRXNPFEDSA-N 2 2 331.460 1.941 20 0 EDADLP Cc1cccc(O)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625501655 450397307 /nfs/dbraw/zinc/39/73/07/450397307.db2.gz GOZOUKUGUSFXJK-MRXNPFEDSA-N 2 2 331.460 1.941 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000251903095 443019853 /nfs/dbraw/zinc/01/98/53/443019853.db2.gz SOHKARBLVHVIFE-ULQDDVLXSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000251903095 443019856 /nfs/dbraw/zinc/01/98/56/443019856.db2.gz SOHKARBLVHVIFE-ULQDDVLXSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000251903095 443019859 /nfs/dbraw/zinc/01/98/59/443019859.db2.gz SOHKARBLVHVIFE-ULQDDVLXSA-N 2 2 345.487 1.347 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000251903095 443019861 /nfs/dbraw/zinc/01/98/61/443019861.db2.gz SOHKARBLVHVIFE-ULQDDVLXSA-N 2 2 345.487 1.347 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000268552182 443031624 /nfs/dbraw/zinc/03/16/24/443031624.db2.gz NFYDCKYMLSUWIP-KRWDZBQOSA-N 2 2 330.476 1.782 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000268552182 443031628 /nfs/dbraw/zinc/03/16/28/443031628.db2.gz NFYDCKYMLSUWIP-KRWDZBQOSA-N 2 2 330.476 1.782 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000252671460 443046208 /nfs/dbraw/zinc/04/62/08/443046208.db2.gz VVASMODAUQXYSB-RVKKMQEKSA-N 2 2 345.487 1.877 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000252671460 443046211 /nfs/dbraw/zinc/04/62/11/443046211.db2.gz VVASMODAUQXYSB-RVKKMQEKSA-N 2 2 345.487 1.877 20 0 EDADLP C[C@@H]1CC[C@@H](C[NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)O1 ZINC000190594574 443144267 /nfs/dbraw/zinc/14/42/67/443144267.db2.gz MUHZMOOWMOOGEG-CVEARBPZSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000268807276 443115200 /nfs/dbraw/zinc/11/52/00/443115200.db2.gz LCWPIVREYVMUMY-ZWKOTPCHSA-N 4 2 331.508 1.666 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1C ZINC000268807276 443115201 /nfs/dbraw/zinc/11/52/01/443115201.db2.gz LCWPIVREYVMUMY-ZWKOTPCHSA-N 4 2 331.508 1.666 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268814118 443116320 /nfs/dbraw/zinc/11/63/20/443116320.db2.gz NAOCNIUHGISAQH-MRXNPFEDSA-N 3 2 342.491 1.986 20 0 EDADLP CC(C)CC[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000190746855 443175351 /nfs/dbraw/zinc/17/53/51/443175351.db2.gz NXBUFMRFUVFREO-INIZCTEOSA-N 2 2 333.480 1.918 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CCn1cccn1)[C@H]1CC12CC[NH2+]CC2 ZINC000262166849 443185040 /nfs/dbraw/zinc/18/50/40/443185040.db2.gz UITZEPNPIQSNSM-HNNXBMFYSA-N 2 2 342.447 1.178 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000236980600 443154291 /nfs/dbraw/zinc/15/42/91/443154291.db2.gz FQPDZXDXJSFQBG-LJQANCHMSA-N 2 2 331.460 1.729 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000266752422 443229635 /nfs/dbraw/zinc/22/96/35/443229635.db2.gz CZNSPQBIJDXVID-ZFWWWQNUSA-N 2 2 335.448 1.694 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000266752422 443229640 /nfs/dbraw/zinc/22/96/40/443229640.db2.gz CZNSPQBIJDXVID-ZFWWWQNUSA-N 2 2 335.448 1.694 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000269155029 443215450 /nfs/dbraw/zinc/21/54/50/443215450.db2.gz UQBJHOUSWNOQDK-AWEZNQCLSA-N 2 2 342.399 1.821 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)c2cccnc2)C1 ZINC000245707595 443245728 /nfs/dbraw/zinc/24/57/28/443245728.db2.gz OOZSKOIUWALUQG-AEFFLSMTSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)c2cccnc2)C1 ZINC000245707595 443245732 /nfs/dbraw/zinc/24/57/32/443245732.db2.gz OOZSKOIUWALUQG-AEFFLSMTSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H](C)c2cccnc2)C1 ZINC000245707595 443245734 /nfs/dbraw/zinc/24/57/34/443245734.db2.gz OOZSKOIUWALUQG-AEFFLSMTSA-N 2 2 348.491 1.547 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)C1 ZINC000245707595 443245737 /nfs/dbraw/zinc/24/57/37/443245737.db2.gz OOZSKOIUWALUQG-AEFFLSMTSA-N 2 2 348.491 1.547 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000382735667 319125221 /nfs/dbraw/zinc/12/52/21/319125221.db2.gz KAWRRDYYAWIFJZ-YTQUADARSA-N 2 2 336.476 1.653 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000382735667 319125222 /nfs/dbraw/zinc/12/52/22/319125222.db2.gz KAWRRDYYAWIFJZ-YTQUADARSA-N 2 2 336.476 1.653 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414076993 319315682 /nfs/dbraw/zinc/31/56/82/319315682.db2.gz YOWNHYDYFQMJMV-VXGBXAGGSA-N 2 2 339.237 1.874 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000415938383 319383885 /nfs/dbraw/zinc/38/38/85/319383885.db2.gz XXHUICBAYSXOTE-CALCHBBNSA-N 2 2 332.448 1.781 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000415938383 319383887 /nfs/dbraw/zinc/38/38/87/319383887.db2.gz XXHUICBAYSXOTE-CALCHBBNSA-N 2 2 332.448 1.781 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416886133 319468939 /nfs/dbraw/zinc/46/89/39/319468939.db2.gz GCASUYDXMNCLDV-FUHWJXTLSA-N 2 2 348.491 1.877 20 0 EDADLP C[NH+]1CCC(O)(CNC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000267107398 443344187 /nfs/dbraw/zinc/34/41/87/443344187.db2.gz MOCJKVKGGQOCKJ-QPJJXVBHSA-N 2 2 340.427 1.458 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)C1CC[NH+](C2CC2)CC1 ZINC000278406089 443321818 /nfs/dbraw/zinc/32/18/18/443321818.db2.gz VBKDQUHEQCTXBG-UHFFFAOYSA-N 2 2 325.416 1.758 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000267063163 443329966 /nfs/dbraw/zinc/32/99/66/443329966.db2.gz GZZFVVSWUZNYJP-QGZVFWFLSA-N 2 2 327.432 1.323 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCC(=O)N[C@H]3C)c2cc1C ZINC000282457088 443344997 /nfs/dbraw/zinc/34/49/97/443344997.db2.gz STNYGTWYQYXXBD-ZNMIVQPWSA-N 2 2 330.432 1.271 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000264460871 443300150 /nfs/dbraw/zinc/30/01/50/443300150.db2.gz VCYBMPZTJCDZME-SJLPKXTDSA-N 2 2 332.492 1.432 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000264460871 443300155 /nfs/dbraw/zinc/30/01/55/443300155.db2.gz VCYBMPZTJCDZME-SJLPKXTDSA-N 2 2 332.492 1.432 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000264710471 443385500 /nfs/dbraw/zinc/38/55/00/443385500.db2.gz DLTFAPALMMASLE-HUUCEWRRSA-N 2 2 336.455 1.403 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c[nH+]1 ZINC000264642368 443358310 /nfs/dbraw/zinc/35/83/10/443358310.db2.gz VVMLBXLXGZNSTF-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)c1 ZINC000264760358 443411523 /nfs/dbraw/zinc/41/15/23/443411523.db2.gz LPQYIHFQVHVCBR-SFHVURJKSA-N 2 2 347.507 1.183 20 0 EDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)c1 ZINC000264760358 443411528 /nfs/dbraw/zinc/41/15/28/443411528.db2.gz LPQYIHFQVHVCBR-SFHVURJKSA-N 2 2 347.507 1.183 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)c1 ZINC000264760358 443411529 /nfs/dbraw/zinc/41/15/29/443411529.db2.gz LPQYIHFQVHVCBR-SFHVURJKSA-N 2 2 347.507 1.183 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)c1 ZINC000264760358 443411534 /nfs/dbraw/zinc/41/15/34/443411534.db2.gz LPQYIHFQVHVCBR-SFHVURJKSA-N 2 2 347.507 1.183 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)OC ZINC000267454539 443463437 /nfs/dbraw/zinc/46/34/37/443463437.db2.gz SLLGMACKBHBFAT-GUTXKFCHSA-N 2 2 336.436 1.293 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)OC ZINC000267454539 443463440 /nfs/dbraw/zinc/46/34/40/443463440.db2.gz SLLGMACKBHBFAT-GUTXKFCHSA-N 2 2 336.436 1.293 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422738656 319736114 /nfs/dbraw/zinc/73/61/14/319736114.db2.gz JRALZJZIPVOSAW-CVEARBPZSA-N 2 2 325.478 1.605 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)c[nH+]2)C[C@H](C)O1 ZINC000423342785 319765892 /nfs/dbraw/zinc/76/58/92/319765892.db2.gz VQXPTFUDPJUEHX-OSDKZWGASA-N 2 2 330.432 1.063 20 0 EDADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423402756 319771641 /nfs/dbraw/zinc/77/16/41/319771641.db2.gz XBQUNEUXHZGHOW-RBSFLKMASA-N 3 2 328.382 1.557 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423421893 319773673 /nfs/dbraw/zinc/77/36/73/319773673.db2.gz BFFBSKZNOSMYPO-SFHVURJKSA-N 3 2 346.519 1.855 20 0 EDADLP C[NH+](C)C1(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)CCOCC1 ZINC000265068109 443522545 /nfs/dbraw/zinc/52/25/45/443522545.db2.gz YIOSKZVGFSBTNN-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)C[NH+]2CCOCC2)c1C ZINC000273090694 443536126 /nfs/dbraw/zinc/53/61/26/443536126.db2.gz NTJZZDKUPOMCFX-CQSZACIVSA-N 2 2 335.448 1.634 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C(C)(C)C[NH3+])[NH+]2CCOCC2)s1 ZINC000423766263 319813895 /nfs/dbraw/zinc/81/38/95/319813895.db2.gz YCMYOZJIQAPHII-CYBMUJFWSA-N 2 2 325.478 1.531 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000423811368 319815268 /nfs/dbraw/zinc/81/52/68/319815268.db2.gz BLRVCAYUBFKKEQ-ZDUSSCGKSA-N 2 2 348.476 1.207 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000265208817 443570992 /nfs/dbraw/zinc/57/09/92/443570992.db2.gz VGKZTYGPWCKVPN-HZPDHXFCSA-N 2 2 333.480 1.810 20 0 EDADLP c1c(C[NH2+]C2CC[NH+](C3CCC3)CC2)nnn1Cc1cccnc1 ZINC000273143010 443549352 /nfs/dbraw/zinc/54/93/52/443549352.db2.gz VYKHJRSTYQKZRM-UHFFFAOYSA-N 2 2 326.448 1.828 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC3CC[NH+](C)CC3)c[nH+]2)CCO1 ZINC000273181592 443555369 /nfs/dbraw/zinc/55/53/69/443555369.db2.gz HFXQJZUALLYJQP-OAHLLOKOSA-N 2 2 346.475 1.655 20 0 EDADLP COC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000265164891 443555899 /nfs/dbraw/zinc/55/58/99/443555899.db2.gz CKICUHZCKBIQEL-GDBMZVCRSA-N 2 2 331.416 1.651 20 0 EDADLP COC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000265164891 443555902 /nfs/dbraw/zinc/55/59/02/443555902.db2.gz CKICUHZCKBIQEL-GDBMZVCRSA-N 2 2 331.416 1.651 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000274250912 443600365 /nfs/dbraw/zinc/60/03/65/443600365.db2.gz STLQWQCBAZKIOG-SFHVURJKSA-N 2 2 345.491 1.944 20 0 EDADLP C[C@H](CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000434255826 319994557 /nfs/dbraw/zinc/99/45/57/319994557.db2.gz KAYQODWQMDUFJE-IAGOWNOFSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(CC2CC2)C[C@@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000435266622 320014746 /nfs/dbraw/zinc/01/47/46/320014746.db2.gz HLWWPPMVPKVZTL-HYVNUMGLSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(CC2CC2)C[C@@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000435266622 320014749 /nfs/dbraw/zinc/01/47/49/320014749.db2.gz HLWWPPMVPKVZTL-HYVNUMGLSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)CCC[NH+]1C ZINC000435266622 320014751 /nfs/dbraw/zinc/01/47/51/320014751.db2.gz HLWWPPMVPKVZTL-HYVNUMGLSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000435266622 320014753 /nfs/dbraw/zinc/01/47/53/320014753.db2.gz HLWWPPMVPKVZTL-HYVNUMGLSA-N 2 2 338.496 1.221 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000438523893 320035861 /nfs/dbraw/zinc/03/58/61/320035861.db2.gz PIRZUPVAAZYZFX-MRXNPFEDSA-N 2 2 325.497 1.724 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449394372 320188195 /nfs/dbraw/zinc/18/81/95/320188195.db2.gz NWOHIEVYNNJCJR-NVXWUHKLSA-N 2 2 349.475 1.849 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449394372 320188196 /nfs/dbraw/zinc/18/81/96/320188196.db2.gz NWOHIEVYNNJCJR-NVXWUHKLSA-N 2 2 349.475 1.849 20 0 EDADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449397357 320188408 /nfs/dbraw/zinc/18/84/08/320188408.db2.gz PSLAXZPODMKHOL-UPTPFMHGSA-N 2 2 326.481 1.935 20 0 EDADLP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000449397357 320188410 /nfs/dbraw/zinc/18/84/10/320188410.db2.gz PSLAXZPODMKHOL-UPTPFMHGSA-N 2 2 326.481 1.935 20 0 EDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449399058 320189120 /nfs/dbraw/zinc/18/91/20/320189120.db2.gz ZSEFGYIUOGLTBA-OCCSQVGLSA-N 2 2 345.285 1.471 20 0 EDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449399058 320189121 /nfs/dbraw/zinc/18/91/21/320189121.db2.gz ZSEFGYIUOGLTBA-OCCSQVGLSA-N 2 2 345.285 1.471 20 0 EDADLP CC(C)OC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450241661 320216023 /nfs/dbraw/zinc/21/60/23/320216023.db2.gz HHLXZDAWJWVACM-SJPCQFCGSA-N 2 2 337.508 1.959 20 0 EDADLP CC(C)OC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450241661 320216025 /nfs/dbraw/zinc/21/60/25/320216025.db2.gz HHLXZDAWJWVACM-SJPCQFCGSA-N 2 2 337.508 1.959 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000457706783 320332628 /nfs/dbraw/zinc/33/26/28/320332628.db2.gz IGHMAZPMFOUGMM-UHFFFAOYSA-N 2 2 341.459 1.710 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000457706783 320332629 /nfs/dbraw/zinc/33/26/29/320332629.db2.gz IGHMAZPMFOUGMM-UHFFFAOYSA-N 2 2 341.459 1.710 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)NC3C[NH+](C(C)C)C3)cc2F)CC1 ZINC000457717726 320333288 /nfs/dbraw/zinc/33/32/88/320333288.db2.gz ITOVBQLHTBYSRR-UHFFFAOYSA-N 2 2 348.466 1.790 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4C[C@H]3CS4)CC2)CC1 ZINC000458129051 320336695 /nfs/dbraw/zinc/33/66/95/320336695.db2.gz NZGHCHXWOCUKBS-HOTGVXAUSA-N 2 2 338.521 1.444 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000458858228 320343501 /nfs/dbraw/zinc/34/35/01/320343501.db2.gz TVQXAGDOSQDACD-UHFFFAOYSA-N 2 2 348.495 1.503 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000459328840 320346822 /nfs/dbraw/zinc/34/68/22/320346822.db2.gz YQIINWUBFSYFLN-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000459328840 320346823 /nfs/dbraw/zinc/34/68/23/320346823.db2.gz YQIINWUBFSYFLN-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000459328840 320346824 /nfs/dbraw/zinc/34/68/24/320346824.db2.gz YQIINWUBFSYFLN-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000459328840 320346825 /nfs/dbraw/zinc/34/68/25/320346825.db2.gz YQIINWUBFSYFLN-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000461228622 320352273 /nfs/dbraw/zinc/35/22/73/320352273.db2.gz WWZWBURNFNQRCW-OWLYRPNTSA-N 2 2 346.475 1.402 20 0 EDADLP C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000461228622 320352274 /nfs/dbraw/zinc/35/22/74/320352274.db2.gz WWZWBURNFNQRCW-OWLYRPNTSA-N 2 2 346.475 1.402 20 0 EDADLP C[C@@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000461228620 320352287 /nfs/dbraw/zinc/35/22/87/320352287.db2.gz WWZWBURNFNQRCW-BZZMCLGOSA-N 2 2 346.475 1.402 20 0 EDADLP C[C@@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000461228620 320352288 /nfs/dbraw/zinc/35/22/88/320352288.db2.gz WWZWBURNFNQRCW-BZZMCLGOSA-N 2 2 346.475 1.402 20 0 EDADLP COc1ccc(OCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000488155861 320357690 /nfs/dbraw/zinc/35/76/90/320357690.db2.gz XMPTWBMDGDZZHV-UHFFFAOYSA-N 2 2 349.475 1.525 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H](CNC(=O)/C=C\C[NH+](C)C)c2cccs2)CCO1 ZINC000492097607 320376058 /nfs/dbraw/zinc/37/60/58/320376058.db2.gz XLXNQORHEQHOBB-DGPIVGRDSA-N 2 2 337.489 1.744 20 0 EDADLP C[C@@H]1C[N@H+]([C@H](CNC(=O)/C=C\C[NH+](C)C)c2cccs2)CCO1 ZINC000492097607 320376059 /nfs/dbraw/zinc/37/60/59/320376059.db2.gz XLXNQORHEQHOBB-DGPIVGRDSA-N 2 2 337.489 1.744 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000493132877 320393145 /nfs/dbraw/zinc/39/31/45/320393145.db2.gz RKIVBONWCBIZFL-GFAPAMAISA-N 2 2 344.278 1.625 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(Br)s2)[C@@H](C[NH3+])C1 ZINC000493132877 320393146 /nfs/dbraw/zinc/39/31/46/320393146.db2.gz RKIVBONWCBIZFL-GFAPAMAISA-N 2 2 344.278 1.625 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C(=O)OC)c(C)n3C)C2)CC1 ZINC000283732920 443701432 /nfs/dbraw/zinc/70/14/32/443701432.db2.gz CJSRKXUTPKLLFI-MRXNPFEDSA-N 2 2 348.491 1.332 20 0 EDADLP Cc1nc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c2c([nH+]1)CCCC2 ZINC000517071917 320446018 /nfs/dbraw/zinc/44/60/18/320446018.db2.gz HKNVIGUVJUATHS-HNNXBMFYSA-N 2 2 343.475 1.455 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N(CCOC)CC[NH+](CC)CC ZINC000298202220 443719224 /nfs/dbraw/zinc/71/92/24/443719224.db2.gz TZSMSIBTQXBRSZ-UHFFFAOYSA-N 2 2 325.457 1.403 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000288103680 443772094 /nfs/dbraw/zinc/77/20/94/443772094.db2.gz XBEKKELVRLGZNU-HUUCEWRRSA-N 2 2 347.463 1.106 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000288103680 443772096 /nfs/dbraw/zinc/77/20/96/443772096.db2.gz XBEKKELVRLGZNU-HUUCEWRRSA-N 2 2 347.463 1.106 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000529289174 320572055 /nfs/dbraw/zinc/57/20/55/320572055.db2.gz ZGOQAPCUOGCLSI-OAHLLOKOSA-N 2 2 328.420 1.407 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000292794508 443844782 /nfs/dbraw/zinc/84/47/82/443844782.db2.gz HOBKCGAEYGLSPG-MRXNPFEDSA-N 2 2 346.475 1.859 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000292615115 443802574 /nfs/dbraw/zinc/80/25/74/443802574.db2.gz ULEYJFTXAYPLQP-YOEHRIQHSA-N 2 2 327.432 1.740 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000292615115 443802578 /nfs/dbraw/zinc/80/25/78/443802578.db2.gz ULEYJFTXAYPLQP-YOEHRIQHSA-N 2 2 327.432 1.740 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000281253963 443860859 /nfs/dbraw/zinc/86/08/59/443860859.db2.gz HAFIAOLPYUOIHM-UHFFFAOYSA-N 2 2 332.370 1.972 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccnn1-c1ccccc1 ZINC000281254003 443861061 /nfs/dbraw/zinc/86/10/61/443861061.db2.gz OBRSPPJSKLINPF-YJBOKZPZSA-N 2 2 341.459 1.863 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccnn1-c1ccccc1 ZINC000281254003 443861065 /nfs/dbraw/zinc/86/10/65/443861065.db2.gz OBRSPPJSKLINPF-YJBOKZPZSA-N 2 2 341.459 1.863 20 0 EDADLP COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000299078737 443947664 /nfs/dbraw/zinc/94/76/64/443947664.db2.gz LKUWVIDHHMRVBY-UHFFFAOYSA-N 2 2 349.475 1.802 20 0 EDADLP COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(OC)c1 ZINC000299078737 443947669 /nfs/dbraw/zinc/94/76/69/443947669.db2.gz LKUWVIDHHMRVBY-UHFFFAOYSA-N 2 2 349.475 1.802 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H](C)O1 ZINC000539785050 320754139 /nfs/dbraw/zinc/75/41/39/320754139.db2.gz SAVAINZBMWPLNM-HZPDHXFCSA-N 2 2 348.491 1.768 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)CCNS(=O)(=O)c1ccccc1 ZINC000281519029 443934060 /nfs/dbraw/zinc/93/40/60/443934060.db2.gz ZGFPZVVJSWVVOK-UHFFFAOYSA-N 2 2 325.478 1.383 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)CCNS(=O)(=O)c1ccccc1 ZINC000281519029 443934063 /nfs/dbraw/zinc/93/40/63/443934063.db2.gz ZGFPZVVJSWVVOK-UHFFFAOYSA-N 2 2 325.478 1.383 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2COc3ccccc32)CC1 ZINC000293220970 443954770 /nfs/dbraw/zinc/95/47/70/443954770.db2.gz ZNRJVASMARQSGS-OAHLLOKOSA-N 2 2 346.475 1.488 20 0 EDADLP COC[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000285364907 443957134 /nfs/dbraw/zinc/95/71/34/443957134.db2.gz QWEJLFWIYFKWJI-ICSRJNTNSA-N 2 2 347.503 1.934 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[NH+]1CCOCC1 ZINC000548718679 320895410 /nfs/dbraw/zinc/89/54/10/320895410.db2.gz LNEMTXBHGVXKAK-MRXNPFEDSA-N 2 2 349.479 1.195 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NCCCn1cc[nH+]c1)C(F)(F)F ZINC000553190373 320937089 /nfs/dbraw/zinc/93/70/89/320937089.db2.gz OTVAMZOKGVZWEZ-NSHDSACASA-N 2 2 329.326 1.859 20 0 EDADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1nncn1C ZINC000285644722 444058604 /nfs/dbraw/zinc/05/86/04/444058604.db2.gz ODOQCIDKCGSWJB-MRXNPFEDSA-N 2 2 328.464 1.678 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000560984060 321030074 /nfs/dbraw/zinc/03/00/74/321030074.db2.gz MFVXRACSCGOIRV-OAHLLOKOSA-N 2 2 328.420 1.194 20 0 EDADLP O=C1CCCN1CC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289250920 444087206 /nfs/dbraw/zinc/08/72/06/444087206.db2.gz CICXZPMXVHOBHL-MRXNPFEDSA-N 2 2 344.459 1.757 20 0 EDADLP O=C1CCCN1CC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289250920 444087210 /nfs/dbraw/zinc/08/72/10/444087210.db2.gz CICXZPMXVHOBHL-MRXNPFEDSA-N 2 2 344.459 1.757 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000562294397 321050180 /nfs/dbraw/zinc/05/01/80/321050180.db2.gz WVOSZANCXUAJDE-RDJZCZTQSA-N 2 2 325.497 1.581 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000562294397 321050181 /nfs/dbraw/zinc/05/01/81/321050181.db2.gz WVOSZANCXUAJDE-RDJZCZTQSA-N 2 2 325.497 1.581 20 0 EDADLP Cn1c[nH+]c(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000562683159 321069778 /nfs/dbraw/zinc/06/97/78/321069778.db2.gz ZMFDWHYHCMOHJT-UHFFFAOYSA-N 2 2 339.399 1.914 20 0 EDADLP CC(C)c1noc(CCC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000562990689 321085837 /nfs/dbraw/zinc/08/58/37/321085837.db2.gz ZSUMYGDQVUGTAF-QLFBSQMISA-N 2 2 340.468 1.185 20 0 EDADLP CC(C)c1noc(CCC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000562990689 321085838 /nfs/dbraw/zinc/08/58/38/321085838.db2.gz ZSUMYGDQVUGTAF-QLFBSQMISA-N 2 2 340.468 1.185 20 0 EDADLP C[N@@H+]1CCN(C(=O)COc2c(Cl)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000563101499 321095638 /nfs/dbraw/zinc/09/56/38/321095638.db2.gz GDNADSPXUZOUED-JTQLQIEISA-N 2 2 332.231 1.474 20 0 EDADLP C[N@H+]1CCN(C(=O)COc2c(Cl)cccc2Cl)[C@@H](C[NH3+])C1 ZINC000563101499 321095639 /nfs/dbraw/zinc/09/56/39/321095639.db2.gz GDNADSPXUZOUED-JTQLQIEISA-N 2 2 332.231 1.474 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000563604058 321111781 /nfs/dbraw/zinc/11/17/81/321111781.db2.gz CBLRWLBUNSBJOQ-UHFFFAOYSA-N 2 2 330.476 1.556 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ncccc3O)CC2)C1 ZINC000564298067 321126284 /nfs/dbraw/zinc/12/62/84/321126284.db2.gz CVAXNMKIVSYTMD-INIZCTEOSA-N 2 2 334.464 1.014 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ncccc3O)CC2)C1 ZINC000564298067 321126286 /nfs/dbraw/zinc/12/62/86/321126286.db2.gz CVAXNMKIVSYTMD-INIZCTEOSA-N 2 2 334.464 1.014 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)[C@@H](C)C1 ZINC000564442831 321131693 /nfs/dbraw/zinc/13/16/93/321131693.db2.gz BDGLVEKUIVCOLV-VPWXQRGCSA-N 2 2 343.471 1.870 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)[C@@H](C)C1 ZINC000564442831 321131694 /nfs/dbraw/zinc/13/16/94/321131694.db2.gz BDGLVEKUIVCOLV-VPWXQRGCSA-N 2 2 343.471 1.870 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000565181478 321174241 /nfs/dbraw/zinc/17/42/41/321174241.db2.gz OKNMKZUJJKLKSD-ZDUSSCGKSA-N 3 2 328.420 1.374 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000565181478 321174243 /nfs/dbraw/zinc/17/42/43/321174243.db2.gz OKNMKZUJJKLKSD-ZDUSSCGKSA-N 3 2 328.420 1.374 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C[NH+]3CC(C)(C)C3)nc2)C1 ZINC000565183758 321174430 /nfs/dbraw/zinc/17/44/30/321174430.db2.gz SCXKEMCIQIZJKB-HNNXBMFYSA-N 2 2 331.464 1.502 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000565244825 321178900 /nfs/dbraw/zinc/17/89/00/321178900.db2.gz JEQMQIPRKKLYCF-INIZCTEOSA-N 2 2 341.415 1.556 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000565244825 321178901 /nfs/dbraw/zinc/17/89/01/321178901.db2.gz JEQMQIPRKKLYCF-INIZCTEOSA-N 2 2 341.415 1.556 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000299592859 444089548 /nfs/dbraw/zinc/08/95/48/444089548.db2.gz WNZJRUIDGLZOSA-IBGZPJMESA-N 2 2 344.503 1.535 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000299592859 444089552 /nfs/dbraw/zinc/08/95/52/444089552.db2.gz WNZJRUIDGLZOSA-IBGZPJMESA-N 2 2 344.503 1.535 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)ccn12 ZINC000568218041 321281880 /nfs/dbraw/zinc/28/18/80/321281880.db2.gz DNLOLPJNDANJRF-UHFFFAOYSA-N 2 2 329.448 1.399 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)ccn12 ZINC000568218041 321281882 /nfs/dbraw/zinc/28/18/82/321281882.db2.gz DNLOLPJNDANJRF-UHFFFAOYSA-N 2 2 329.448 1.399 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000570043452 321336122 /nfs/dbraw/zinc/33/61/22/321336122.db2.gz XRJRTVXFRLYAFP-OKZBNKHCSA-N 2 2 336.524 1.251 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000571035477 321368710 /nfs/dbraw/zinc/36/87/10/321368710.db2.gz RRHRKIMXPZMRNF-HOTGVXAUSA-N 2 2 348.495 1.120 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000571429295 321386733 /nfs/dbraw/zinc/38/67/33/321386733.db2.gz MKGSXDSBOQIWFI-ULQDDVLXSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000571429295 321386735 /nfs/dbraw/zinc/38/67/35/321386735.db2.gz MKGSXDSBOQIWFI-ULQDDVLXSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000571429295 321386736 /nfs/dbraw/zinc/38/67/36/321386736.db2.gz MKGSXDSBOQIWFI-ULQDDVLXSA-N 2 2 325.497 1.866 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000299646290 444105188 /nfs/dbraw/zinc/10/51/88/444105188.db2.gz RJBHSNSTAPFPRZ-UHFFFAOYSA-N 2 2 347.463 1.155 20 0 EDADLP CC[N@H+]1CCCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000299646290 444105192 /nfs/dbraw/zinc/10/51/92/444105192.db2.gz RJBHSNSTAPFPRZ-UHFFFAOYSA-N 2 2 347.463 1.155 20 0 EDADLP Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)nn1C ZINC000282260084 444129358 /nfs/dbraw/zinc/12/93/58/444129358.db2.gz QVBQKJCCOBDUJT-HNNXBMFYSA-N 2 2 328.464 1.726 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000294958129 444161812 /nfs/dbraw/zinc/16/18/12/444161812.db2.gz FSIPZAHPNIAFBC-ZWKOTPCHSA-N 2 2 332.492 1.383 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000294958129 444161816 /nfs/dbraw/zinc/16/18/16/444161816.db2.gz FSIPZAHPNIAFBC-ZWKOTPCHSA-N 2 2 332.492 1.383 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCO[C@@H]21 ZINC000294535669 444122155 /nfs/dbraw/zinc/12/21/55/444122155.db2.gz AIMQYKGYEJKSAB-MKXGPGLRSA-N 2 2 330.472 1.809 20 0 EDADLP CC1(C)[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCO[C@@H]21 ZINC000294535669 444122160 /nfs/dbraw/zinc/12/21/60/444122160.db2.gz AIMQYKGYEJKSAB-MKXGPGLRSA-N 2 2 330.472 1.809 20 0 EDADLP COc1c(O)cccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000289838106 444209787 /nfs/dbraw/zinc/20/97/87/444209787.db2.gz PFESFQDFCZVBDE-UHFFFAOYSA-N 2 2 347.459 1.387 20 0 EDADLP O=C(CC[NH2+][C@@H]1CCC[C@H]1CCO)N1CCN(c2cccc[nH+]2)CC1 ZINC000286022689 444178702 /nfs/dbraw/zinc/17/87/02/444178702.db2.gz HKVFAFMJXGCQIW-DLBZAZTESA-N 2 2 346.475 1.261 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000575897804 321533243 /nfs/dbraw/zinc/53/32/43/321533243.db2.gz RJMFFCYGZUJWAE-ZWKOTPCHSA-N 2 2 339.443 1.682 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)CC[C@H]21 ZINC000301712259 444186694 /nfs/dbraw/zinc/18/66/94/444186694.db2.gz LAHCLOOHRYXZNZ-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)CC[C@H]21 ZINC000301712259 444186695 /nfs/dbraw/zinc/18/66/95/444186695.db2.gz LAHCLOOHRYXZNZ-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)CC[C@H]21 ZINC000301712259 444186697 /nfs/dbraw/zinc/18/66/97/444186697.db2.gz LAHCLOOHRYXZNZ-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)CC[C@H]21 ZINC000301712259 444186699 /nfs/dbraw/zinc/18/66/99/444186699.db2.gz LAHCLOOHRYXZNZ-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000576282812 321553783 /nfs/dbraw/zinc/55/37/83/321553783.db2.gz UYFAWRGRTZXKSS-QGZVFWFLSA-N 2 2 326.444 1.866 20 0 EDADLP C[C@H]1CN(c2ccc(CNc3cc[nH+]cc3C(N)=O)c[nH+]2)CCO1 ZINC000302035442 444201867 /nfs/dbraw/zinc/20/18/67/444201867.db2.gz PAOYXNOLCBWBFE-LBPRGKRZSA-N 2 2 327.388 1.413 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000296063855 444201955 /nfs/dbraw/zinc/20/19/55/444201955.db2.gz CSBZEAUBZFILBA-AWEZNQCLSA-N 2 2 343.431 1.524 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302083903 444203668 /nfs/dbraw/zinc/20/36/68/444203668.db2.gz DHMSUWMFZQUISK-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)C1 ZINC000302083903 444203670 /nfs/dbraw/zinc/20/36/70/444203670.db2.gz DHMSUWMFZQUISK-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302083903 444203672 /nfs/dbraw/zinc/20/36/72/444203672.db2.gz DHMSUWMFZQUISK-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302083903 444203673 /nfs/dbraw/zinc/20/36/73/444203673.db2.gz DHMSUWMFZQUISK-JKSUJKDBSA-N 2 2 333.480 1.606 20 0 EDADLP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000305159255 444262041 /nfs/dbraw/zinc/26/20/41/444262041.db2.gz WPSUFNSIOWZAIO-WMZOPIPTSA-N 2 2 327.513 1.170 20 0 EDADLP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000305159255 444262042 /nfs/dbraw/zinc/26/20/42/444262042.db2.gz WPSUFNSIOWZAIO-WMZOPIPTSA-N 2 2 327.513 1.170 20 0 EDADLP CCc1nnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1CC ZINC000302782486 444224222 /nfs/dbraw/zinc/22/42/22/444224222.db2.gz KHILEQRDRBLVKU-XYPWUTKMSA-N 2 2 344.507 1.744 20 0 EDADLP CCc1nnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1CC ZINC000302782486 444224225 /nfs/dbraw/zinc/22/42/25/444224225.db2.gz KHILEQRDRBLVKU-XYPWUTKMSA-N 2 2 344.507 1.744 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302828091 444225930 /nfs/dbraw/zinc/22/59/30/444225930.db2.gz IIWTXMOJJDTEGS-LSDHHAIUSA-N 2 2 333.505 1.950 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302828091 444225931 /nfs/dbraw/zinc/22/59/31/444225931.db2.gz IIWTXMOJJDTEGS-LSDHHAIUSA-N 2 2 333.505 1.950 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302828091 444225934 /nfs/dbraw/zinc/22/59/34/444225934.db2.gz IIWTXMOJJDTEGS-LSDHHAIUSA-N 2 2 333.505 1.950 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC000302828091 444225935 /nfs/dbraw/zinc/22/59/35/444225935.db2.gz IIWTXMOJJDTEGS-LSDHHAIUSA-N 2 2 333.505 1.950 20 0 EDADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1O ZINC000289997025 444228584 /nfs/dbraw/zinc/22/85/84/444228584.db2.gz YSWPAPQLGKMONU-ZBFHGGJFSA-N 2 2 349.475 1.994 20 0 EDADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1O ZINC000289997020 444228788 /nfs/dbraw/zinc/22/87/88/444228788.db2.gz YSWPAPQLGKMONU-HOCLYGCPSA-N 2 2 349.475 1.994 20 0 EDADLP CC(C)OCC[NH+]1CCC(Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000302886238 444229781 /nfs/dbraw/zinc/22/97/81/444229781.db2.gz LHWJNLPNTBIIFQ-UHFFFAOYSA-N 2 2 349.479 1.615 20 0 EDADLP CC(C)OCC[NH+]1CCC(Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000302886238 444229783 /nfs/dbraw/zinc/22/97/83/444229783.db2.gz LHWJNLPNTBIIFQ-UHFFFAOYSA-N 2 2 349.479 1.615 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COCc2ccco2)C1 ZINC000305684700 444272484 /nfs/dbraw/zinc/27/24/84/444272484.db2.gz PKMWPDGGKHLOFN-CVEARBPZSA-N 2 2 333.432 1.845 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccco2)C1 ZINC000305684700 444272486 /nfs/dbraw/zinc/27/24/86/444272486.db2.gz PKMWPDGGKHLOFN-CVEARBPZSA-N 2 2 333.432 1.845 20 0 EDADLP C[NH+]1CCN(Cc2cccc(C(=O)NC(C)(C)c3[nH]cc[nH+]3)c2)CC1 ZINC000577738289 321678372 /nfs/dbraw/zinc/67/83/72/321678372.db2.gz WZYVYAKBLLPDDQ-UHFFFAOYSA-N 2 2 341.459 1.822 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290583575 444298139 /nfs/dbraw/zinc/29/81/39/444298139.db2.gz GBXMVDVIDMTMBJ-DZGCQCFKSA-N 2 2 329.404 1.661 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(S(C)(=O)=O)cc1 ZINC000321728913 444337353 /nfs/dbraw/zinc/33/73/53/444337353.db2.gz ZKUPAROILMFCAA-IMJJTQAJSA-N 2 2 338.473 1.604 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(S(C)(=O)=O)cc1 ZINC000321728913 444337354 /nfs/dbraw/zinc/33/73/54/444337354.db2.gz ZKUPAROILMFCAA-IMJJTQAJSA-N 2 2 338.473 1.604 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000297747517 444328008 /nfs/dbraw/zinc/32/80/08/444328008.db2.gz KAGVKWDWKGOTAW-UHFFFAOYSA-N 2 2 341.459 1.255 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000297747517 444328011 /nfs/dbraw/zinc/32/80/11/444328011.db2.gz KAGVKWDWKGOTAW-UHFFFAOYSA-N 2 2 341.459 1.255 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C[N@@H+]1C1CC1 ZINC000290836141 444328583 /nfs/dbraw/zinc/32/85/83/444328583.db2.gz YBJXMNMOADOGCT-IAISJRAMSA-N 2 2 349.500 1.926 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C[N@H+]1C1CC1 ZINC000290836141 444328585 /nfs/dbraw/zinc/32/85/85/444328585.db2.gz YBJXMNMOADOGCT-IAISJRAMSA-N 2 2 349.500 1.926 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)n(C)n1 ZINC000328672879 444424162 /nfs/dbraw/zinc/42/41/62/444424162.db2.gz OQINZZPZOMGDEC-HZPDHXFCSA-N 2 2 341.415 1.382 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)n(C)n1 ZINC000328672879 444424164 /nfs/dbraw/zinc/42/41/64/444424164.db2.gz OQINZZPZOMGDEC-HZPDHXFCSA-N 2 2 341.415 1.382 20 0 EDADLP C[C@@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C[NH+]1CCCC1 ZINC000298027783 444391374 /nfs/dbraw/zinc/39/13/74/444391374.db2.gz FAAWZJKZVDPXIU-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP Cc1ccc2[nH+]ccc(N3CCO[C@@H](C[N@@H+](C)CC(N)=O)C3)c2c1 ZINC000337914173 444458108 /nfs/dbraw/zinc/45/81/08/444458108.db2.gz MMVJLTAHNIMXCZ-AWEZNQCLSA-N 2 2 328.416 1.166 20 0 EDADLP Cc1ccc2[nH+]ccc(N3CCO[C@@H](C[N@H+](C)CC(N)=O)C3)c2c1 ZINC000337914173 444458111 /nfs/dbraw/zinc/45/81/11/444458111.db2.gz MMVJLTAHNIMXCZ-AWEZNQCLSA-N 2 2 328.416 1.166 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340652234 444472155 /nfs/dbraw/zinc/47/21/55/444472155.db2.gz ZVXKUZHIOLDGCU-JKSUJKDBSA-N 2 2 349.479 1.015 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000340652234 444472157 /nfs/dbraw/zinc/47/21/57/444472157.db2.gz ZVXKUZHIOLDGCU-JKSUJKDBSA-N 2 2 349.479 1.015 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc[nH+]1 ZINC000328703481 444435689 /nfs/dbraw/zinc/43/56/89/444435689.db2.gz OFNANZZEEMMGRM-IRXDYDNUSA-N 2 2 345.491 1.750 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]cn1 ZINC000328703481 444435691 /nfs/dbraw/zinc/43/56/91/444435691.db2.gz OFNANZZEEMMGRM-IRXDYDNUSA-N 2 2 345.491 1.750 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)nc[nH+]1 ZINC000329124490 444478228 /nfs/dbraw/zinc/47/82/28/444478228.db2.gz SIVPHCZDXIZINF-HZPDHXFCSA-N 2 2 331.464 1.360 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]cn1 ZINC000329124490 444478233 /nfs/dbraw/zinc/47/82/33/444478233.db2.gz SIVPHCZDXIZINF-HZPDHXFCSA-N 2 2 331.464 1.360 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc[nH+]1 ZINC000329124489 444478366 /nfs/dbraw/zinc/47/83/66/444478366.db2.gz SIVPHCZDXIZINF-HOTGVXAUSA-N 2 2 331.464 1.360 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]cn1 ZINC000329124489 444478368 /nfs/dbraw/zinc/47/83/68/444478368.db2.gz SIVPHCZDXIZINF-HOTGVXAUSA-N 2 2 331.464 1.360 20 0 EDADLP c1ccc(CCc2noc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000580055498 322002643 /nfs/dbraw/zinc/00/26/43/322002643.db2.gz UYBWMBSCUCOFCZ-QGZVFWFLSA-N 2 2 341.459 1.334 20 0 EDADLP c1ccc(CCc2noc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000580055498 322002647 /nfs/dbraw/zinc/00/26/47/322002647.db2.gz UYBWMBSCUCOFCZ-QGZVFWFLSA-N 2 2 341.459 1.334 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000580527762 322061405 /nfs/dbraw/zinc/06/14/05/322061405.db2.gz QPJBWBNMEKGZJB-IYBDPMFKSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000580527762 322061407 /nfs/dbraw/zinc/06/14/07/322061407.db2.gz QPJBWBNMEKGZJB-IYBDPMFKSA-N 2 2 340.512 1.659 20 0 EDADLP Cc1cnc(-c2cccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2)o1 ZINC000580629493 322075322 /nfs/dbraw/zinc/07/53/22/322075322.db2.gz KYEBRUNDRPSERF-OAHLLOKOSA-N 2 2 329.404 1.757 20 0 EDADLP Cc1cnc(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2)o1 ZINC000580629493 322075324 /nfs/dbraw/zinc/07/53/24/322075324.db2.gz KYEBRUNDRPSERF-OAHLLOKOSA-N 2 2 329.404 1.757 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)CC2 ZINC000580650162 322078259 /nfs/dbraw/zinc/07/82/59/322078259.db2.gz HHPAXSMNHSHCQI-NJAFHUGGSA-N 2 2 346.475 1.514 20 0 EDADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000580771425 322093215 /nfs/dbraw/zinc/09/32/15/322093215.db2.gz NJHPQMWNKQRNCJ-CVEARBPZSA-N 2 2 332.448 1.442 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000580965094 322119258 /nfs/dbraw/zinc/11/92/58/322119258.db2.gz HSWHFHQKOLYBLG-MRXNPFEDSA-N 2 2 346.475 1.376 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000580965094 322119259 /nfs/dbraw/zinc/11/92/59/322119259.db2.gz HSWHFHQKOLYBLG-MRXNPFEDSA-N 2 2 346.475 1.376 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000581001237 322122531 /nfs/dbraw/zinc/12/25/31/322122531.db2.gz HNPUOOKLQPDZEV-NXHRZFHOSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000581001237 322122534 /nfs/dbraw/zinc/12/25/34/322122534.db2.gz HNPUOOKLQPDZEV-NXHRZFHOSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000581001237 322122536 /nfs/dbraw/zinc/12/25/36/322122536.db2.gz HNPUOOKLQPDZEV-NXHRZFHOSA-N 3 2 345.491 1.106 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000581001237 322122539 /nfs/dbraw/zinc/12/25/39/322122539.db2.gz HNPUOOKLQPDZEV-NXHRZFHOSA-N 3 2 345.491 1.106 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000581188234 322146824 /nfs/dbraw/zinc/14/68/24/322146824.db2.gz UNWJOWVVDCGBLC-GOSISDBHSA-N 2 2 330.476 1.890 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329248364 444512359 /nfs/dbraw/zinc/51/23/59/444512359.db2.gz WPUJTTJNULHLQM-FGTMMUONSA-N 2 2 345.443 1.705 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000329248364 444512362 /nfs/dbraw/zinc/51/23/62/444512362.db2.gz WPUJTTJNULHLQM-FGTMMUONSA-N 2 2 345.443 1.705 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC000332840821 444569876 /nfs/dbraw/zinc/56/98/76/444569876.db2.gz JDRZSHWXKNOEIA-HUUCEWRRSA-N 2 2 338.496 1.269 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343769291 444578409 /nfs/dbraw/zinc/57/84/09/444578409.db2.gz LQOJNHQPQSBWQU-GOOCMWNKSA-N 2 2 330.432 1.205 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343711196 444538039 /nfs/dbraw/zinc/53/80/39/444538039.db2.gz FFWNPMPQFULFED-JKSUJKDBSA-N 2 2 338.540 1.780 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343711196 444538044 /nfs/dbraw/zinc/53/80/44/444538044.db2.gz FFWNPMPQFULFED-JKSUJKDBSA-N 2 2 338.540 1.780 20 0 EDADLP COc1coc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1=O ZINC000343714918 444540755 /nfs/dbraw/zinc/54/07/55/444540755.db2.gz QLHRPOYJVSGWBV-AWEZNQCLSA-N 2 2 335.448 1.249 20 0 EDADLP COc1coc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1=O ZINC000343714918 444540758 /nfs/dbraw/zinc/54/07/58/444540758.db2.gz QLHRPOYJVSGWBV-AWEZNQCLSA-N 2 2 335.448 1.249 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329554895 444627180 /nfs/dbraw/zinc/62/71/80/444627180.db2.gz GXMZVVGWPCFCTQ-AWEZNQCLSA-N 2 2 326.360 1.152 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@H]21 ZINC000329559761 444629378 /nfs/dbraw/zinc/62/93/78/444629378.db2.gz RARZMJMPFSAWLR-IAGOWNOFSA-N 2 2 326.400 1.086 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@H]21 ZINC000329559761 444629384 /nfs/dbraw/zinc/62/93/84/444629384.db2.gz RARZMJMPFSAWLR-IAGOWNOFSA-N 2 2 326.400 1.086 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000332887935 444587033 /nfs/dbraw/zinc/58/70/33/444587033.db2.gz IBWKDIWNSAYVDI-GJZGRUSLSA-N 2 2 331.464 1.927 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000332887935 444587035 /nfs/dbraw/zinc/58/70/35/444587035.db2.gz IBWKDIWNSAYVDI-GJZGRUSLSA-N 2 2 331.464 1.927 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C1CCS(=O)(=O)CC1)C2 ZINC000329631527 444656917 /nfs/dbraw/zinc/65/69/17/444656917.db2.gz RKVSJTUENUJSRX-CYBMUJFWSA-N 2 2 325.478 1.662 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333483706 444675530 /nfs/dbraw/zinc/67/55/30/444675530.db2.gz CKAPUTDBLWVDNS-KBXCAEBGSA-N 2 2 336.480 1.609 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333483706 444675532 /nfs/dbraw/zinc/67/55/32/444675532.db2.gz CKAPUTDBLWVDNS-KBXCAEBGSA-N 2 2 336.480 1.609 20 0 EDADLP Cc1cc(CNC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc(C)[nH+]1 ZINC000333656184 444687784 /nfs/dbraw/zinc/68/77/84/444687784.db2.gz ZWIBGGRDAJISDW-CXAGYDPISA-N 2 2 332.448 1.561 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000344104756 444783430 /nfs/dbraw/zinc/78/34/30/444783430.db2.gz IRHURLHWKHHCCW-IAGOWNOFSA-N 2 2 346.381 1.994 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000344104756 444783432 /nfs/dbraw/zinc/78/34/32/444783432.db2.gz IRHURLHWKHHCCW-IAGOWNOFSA-N 2 2 346.381 1.994 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000342622697 444782556 /nfs/dbraw/zinc/78/25/56/444782556.db2.gz OQHOVBKAUUEKAZ-XUJVJEKNSA-N 2 2 325.403 1.881 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000342622697 444782559 /nfs/dbraw/zinc/78/25/59/444782559.db2.gz OQHOVBKAUUEKAZ-XUJVJEKNSA-N 2 2 325.403 1.881 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCSC[C@H]3CCO)c2cc1C ZINC000336879027 444825828 /nfs/dbraw/zinc/82/58/28/444825828.db2.gz KVGZLQTVBJPXOV-HZPDHXFCSA-N 2 2 349.500 1.814 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCSC[C@H]3CCO)c2cc1C ZINC000336879027 444825831 /nfs/dbraw/zinc/82/58/31/444825831.db2.gz KVGZLQTVBJPXOV-HZPDHXFCSA-N 2 2 349.500 1.814 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000342714700 444830072 /nfs/dbraw/zinc/83/00/72/444830072.db2.gz TZIGYVKLJJTDNJ-NEWSRXKRSA-N 2 2 345.487 1.873 20 0 EDADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000342744275 444845062 /nfs/dbraw/zinc/84/50/62/444845062.db2.gz XRAQHJTYNKOFMK-MRXNPFEDSA-N 2 2 337.414 1.966 20 0 EDADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000342744275 444845065 /nfs/dbraw/zinc/84/50/65/444845065.db2.gz XRAQHJTYNKOFMK-MRXNPFEDSA-N 2 2 337.414 1.966 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000342816169 444877371 /nfs/dbraw/zinc/87/73/71/444877371.db2.gz UCKDFENGTMEFIG-SZVBFZGTSA-N 2 2 327.472 1.902 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000342816169 444877378 /nfs/dbraw/zinc/87/73/78/444877378.db2.gz UCKDFENGTMEFIG-SZVBFZGTSA-N 2 2 327.472 1.902 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C1)CCCC2 ZINC000330283820 444922047 /nfs/dbraw/zinc/92/20/47/444922047.db2.gz WQFHMIJMJBMFBN-YOEHRIQHSA-N 2 2 332.448 1.174 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C1)CCCC2 ZINC000330283820 444922050 /nfs/dbraw/zinc/92/20/50/444922050.db2.gz WQFHMIJMJBMFBN-YOEHRIQHSA-N 2 2 332.448 1.174 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C1)CCCC2 ZINC000330283818 444922529 /nfs/dbraw/zinc/92/25/29/444922529.db2.gz WQFHMIJMJBMFBN-RHSMWYFYSA-N 2 2 332.448 1.174 20 0 EDADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C1)CCCC2 ZINC000330283818 444922533 /nfs/dbraw/zinc/92/25/33/444922533.db2.gz WQFHMIJMJBMFBN-RHSMWYFYSA-N 2 2 332.448 1.174 20 0 EDADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)Nc1cc[nH+]cc1C ZINC000344444973 444976464 /nfs/dbraw/zinc/97/64/64/444976464.db2.gz XGJRAIDRFFTBTR-UHFFFAOYSA-N 2 2 333.480 1.693 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337080942 444933746 /nfs/dbraw/zinc/93/37/46/444933746.db2.gz VZOULKAFRNIBHW-RTBURBONSA-N 2 2 347.503 1.840 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337080942 444933751 /nfs/dbraw/zinc/93/37/51/444933751.db2.gz VZOULKAFRNIBHW-RTBURBONSA-N 2 2 347.503 1.840 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(C)[nH+]1 ZINC000341833623 445024779 /nfs/dbraw/zinc/02/47/79/445024779.db2.gz HRHDGJIREJKPLB-IIYDPXPESA-N 2 2 344.459 1.826 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000337280546 445013677 /nfs/dbraw/zinc/01/36/77/445013677.db2.gz VLFHOIDUEJZSOX-QGZVFWFLSA-N 2 2 331.460 1.524 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000337280546 445013678 /nfs/dbraw/zinc/01/36/78/445013678.db2.gz VLFHOIDUEJZSOX-QGZVFWFLSA-N 2 2 331.460 1.524 20 0 EDADLP COc1cc(F)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000341876698 445048562 /nfs/dbraw/zinc/04/85/62/445048562.db2.gz MDJOAFTZFHMZPL-QWHCGFSZSA-N 2 2 326.412 1.950 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[C@H]([NH+](C)C)C3)CC2)cc[nH+]1 ZINC000342036585 445136757 /nfs/dbraw/zinc/13/67/57/445136757.db2.gz FJDRGCGQBANHCE-GJZGRUSLSA-N 2 2 332.452 1.099 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C(F)(F)F ZINC000344649083 445103256 /nfs/dbraw/zinc/10/32/56/445103256.db2.gz DZYCRPZSKAUWNG-RYUDHWBXSA-N 2 2 336.402 1.747 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C(F)(F)F ZINC000344649083 445103260 /nfs/dbraw/zinc/10/32/60/445103260.db2.gz DZYCRPZSKAUWNG-RYUDHWBXSA-N 2 2 336.402 1.747 20 0 EDADLP CC[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339279018 445129618 /nfs/dbraw/zinc/12/96/18/445129618.db2.gz OADJMQDVEHHNTO-JKSUJKDBSA-N 2 2 341.496 1.103 20 0 EDADLP CC[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339279018 445129625 /nfs/dbraw/zinc/12/96/25/445129625.db2.gz OADJMQDVEHHNTO-JKSUJKDBSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337644741 445185117 /nfs/dbraw/zinc/18/51/17/445185117.db2.gz IJTSVVTVHYYAGV-RHSMWYFYSA-N 2 2 335.423 1.267 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)cn1 ZINC000343402570 445216386 /nfs/dbraw/zinc/21/63/86/445216386.db2.gz XUDVOJDMHSCOPK-QAPCUYQASA-N 2 2 329.448 1.996 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)cn1 ZINC000343402570 445216387 /nfs/dbraw/zinc/21/63/87/445216387.db2.gz XUDVOJDMHSCOPK-QAPCUYQASA-N 2 2 329.448 1.996 20 0 EDADLP C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1CC[NH+](CCn2cccn2)CC1 ZINC000343314295 445194559 /nfs/dbraw/zinc/19/45/59/445194559.db2.gz MJMMLZQQIRCHSO-KDURUIRLSA-N 2 2 347.507 1.143 20 0 EDADLP C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1CC[NH+](CCn2cccn2)CC1 ZINC000343314295 445194560 /nfs/dbraw/zinc/19/45/60/445194560.db2.gz MJMMLZQQIRCHSO-KDURUIRLSA-N 2 2 347.507 1.143 20 0 EDADLP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC[NH+](CCn2cccn2)CC1 ZINC000343314295 445194561 /nfs/dbraw/zinc/19/45/61/445194561.db2.gz MJMMLZQQIRCHSO-KDURUIRLSA-N 2 2 347.507 1.143 20 0 EDADLP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC[NH+](CCn2cccn2)CC1 ZINC000343314295 445194562 /nfs/dbraw/zinc/19/45/62/445194562.db2.gz MJMMLZQQIRCHSO-KDURUIRLSA-N 2 2 347.507 1.143 20 0 EDADLP CC(C)C[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)[NH+]1CCOCC1 ZINC000345852660 445200408 /nfs/dbraw/zinc/20/04/08/445200408.db2.gz PCPIFIUBFQEMSC-INIZCTEOSA-N 2 2 333.480 2.457 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[N@H+](C)CC(=O)NCC2CC2)CCC[NH+]1C ZINC000346878193 445226975 /nfs/dbraw/zinc/22/69/75/445226975.db2.gz HCOOXUGAVJIVJU-CRAIPNDOSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[N@@H+](C)CC(=O)NCC2CC2)CCC[NH+]1C ZINC000346878193 445226976 /nfs/dbraw/zinc/22/69/76/445226976.db2.gz HCOOXUGAVJIVJU-CRAIPNDOSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[NH+](C)CC(=O)NCC2CC2)CCC[N@@H+]1C ZINC000346878193 445226977 /nfs/dbraw/zinc/22/69/77/445226977.db2.gz HCOOXUGAVJIVJU-CRAIPNDOSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1nccc1[C@H]1[C@@H](C[NH+](C)CC(=O)NCC2CC2)CCC[N@H+]1C ZINC000346878193 445226979 /nfs/dbraw/zinc/22/69/79/445226979.db2.gz HCOOXUGAVJIVJU-CRAIPNDOSA-N 2 2 333.480 1.261 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@@H](C)[NH+]1C ZINC000343473801 445229373 /nfs/dbraw/zinc/22/93/73/445229373.db2.gz QVRKGFUASRIPNL-ZIAGYGMSSA-N 2 2 341.415 1.362 20 0 EDADLP C[C@H](CNC(=O)C1CC[NH+](CC(F)F)CC1)C[NH+]1CCOCC1 ZINC000343480303 445230885 /nfs/dbraw/zinc/23/08/85/445230885.db2.gz SQMIWCGBPZHHEY-CYBMUJFWSA-N 2 2 333.423 1.048 20 0 EDADLP COC(=O)[C@H](C1CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346883835 445226692 /nfs/dbraw/zinc/22/66/92/445226692.db2.gz MJNFMNOBZQDAOZ-UAGQMJEPSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@H](C1CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346883835 445226694 /nfs/dbraw/zinc/22/66/94/445226694.db2.gz MJNFMNOBZQDAOZ-UAGQMJEPSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@H](C1CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346883835 445226696 /nfs/dbraw/zinc/22/66/96/445226696.db2.gz MJNFMNOBZQDAOZ-UAGQMJEPSA-N 2 2 334.464 1.686 20 0 EDADLP COC(=O)[C@H](C1CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346883835 445226698 /nfs/dbraw/zinc/22/66/98/445226698.db2.gz MJNFMNOBZQDAOZ-UAGQMJEPSA-N 2 2 334.464 1.686 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2[nH+]ccn2CC(C)C)[N@H+](C)C1 ZINC000347518281 445240176 /nfs/dbraw/zinc/24/01/76/445240176.db2.gz PUCOQYWHIHRFKK-HUUCEWRRSA-N 2 2 337.468 1.400 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2[nH+]ccn2CC(C)C)[N@@H+](C)C1 ZINC000347518281 445240178 /nfs/dbraw/zinc/24/01/78/445240178.db2.gz PUCOQYWHIHRFKK-HUUCEWRRSA-N 2 2 337.468 1.400 20 0 EDADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000348360016 445266762 /nfs/dbraw/zinc/26/67/62/445266762.db2.gz BQNHFJYRINDHHN-RTBURBONSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000348360016 445266765 /nfs/dbraw/zinc/26/67/65/445266765.db2.gz BQNHFJYRINDHHN-RTBURBONSA-N 2 2 347.503 1.716 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626325 445247237 /nfs/dbraw/zinc/24/72/37/445247237.db2.gz FOTNAAGMPZIFBE-IRXDYDNUSA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626325 445247240 /nfs/dbraw/zinc/24/72/40/445247240.db2.gz FOTNAAGMPZIFBE-IRXDYDNUSA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C1)CCCC2 ZINC000351626325 445247242 /nfs/dbraw/zinc/24/72/42/445247242.db2.gz FOTNAAGMPZIFBE-IRXDYDNUSA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C1)CCCC2 ZINC000351626325 445247245 /nfs/dbraw/zinc/24/72/45/445247245.db2.gz FOTNAAGMPZIFBE-IRXDYDNUSA-N 3 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CCN(C[C@@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626325 445247247 /nfs/dbraw/zinc/24/72/47/445247247.db2.gz FOTNAAGMPZIFBE-IRXDYDNUSA-N 2 2 332.492 1.772 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CCN(C[C@@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626325 445247249 /nfs/dbraw/zinc/24/72/49/445247249.db2.gz FOTNAAGMPZIFBE-IRXDYDNUSA-N 2 2 332.492 1.772 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343597003 445256843 /nfs/dbraw/zinc/25/68/43/445256843.db2.gz CCNWTJLLIXJDRP-HXUWFJFHSA-N 2 2 343.471 1.735 20 0 EDADLP c1ccc(C[NH+]2C[C@H]3CN(CC[N@H+]4C[C@H]5CC[C@@H](C4)O5)C[C@H]3C2)cc1 ZINC000348332670 445259460 /nfs/dbraw/zinc/25/94/60/445259460.db2.gz VIBYNPDGXOLVIC-FXELSEDVSA-N 2 2 341.499 1.913 20 0 EDADLP c1ccc(C[NH+]2C[C@H]3CN(CC[N@@H+]4C[C@H]5CC[C@@H](C4)O5)C[C@H]3C2)cc1 ZINC000348332670 445259464 /nfs/dbraw/zinc/25/94/64/445259464.db2.gz VIBYNPDGXOLVIC-FXELSEDVSA-N 2 2 341.499 1.913 20 0 EDADLP c1ccc(C[N@@H+]2C[C@H]3CN(CC[NH+]4C[C@H]5CC[C@@H](C4)O5)C[C@H]3C2)cc1 ZINC000348332670 445259466 /nfs/dbraw/zinc/25/94/66/445259466.db2.gz VIBYNPDGXOLVIC-FXELSEDVSA-N 2 2 341.499 1.913 20 0 EDADLP c1ccc(C[N@H+]2C[C@H]3CN(CC[NH+]4C[C@H]5CC[C@@H](C4)O5)C[C@H]3C2)cc1 ZINC000348332670 445259469 /nfs/dbraw/zinc/25/94/69/445259469.db2.gz VIBYNPDGXOLVIC-FXELSEDVSA-N 2 2 341.499 1.913 20 0 EDADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC000348332670 445259472 /nfs/dbraw/zinc/25/94/72/445259472.db2.gz VIBYNPDGXOLVIC-FXELSEDVSA-N 2 2 341.499 1.913 20 0 EDADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC000348332670 445259475 /nfs/dbraw/zinc/25/94/75/445259475.db2.gz VIBYNPDGXOLVIC-FXELSEDVSA-N 2 2 341.499 1.913 20 0 EDADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](CCN4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC000348332670 445259477 /nfs/dbraw/zinc/25/94/77/445259477.db2.gz VIBYNPDGXOLVIC-FXELSEDVSA-N 2 2 341.499 1.913 20 0 EDADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CCN4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC000348332670 445259480 /nfs/dbraw/zinc/25/94/80/445259480.db2.gz VIBYNPDGXOLVIC-FXELSEDVSA-N 2 2 341.499 1.913 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](COC(F)F)C2)CC1 ZINC000354616025 445316023 /nfs/dbraw/zinc/31/60/23/445316023.db2.gz UYRVPBRHYZLHBG-CYBMUJFWSA-N 2 2 348.438 1.283 20 0 EDADLP COc1cccc([C@@H](CNC(=O)NCc2[nH+]ccn2C)[NH+](C)C)c1 ZINC000348219409 445320208 /nfs/dbraw/zinc/32/02/08/445320208.db2.gz YNQJZDHYHNNJHT-OAHLLOKOSA-N 2 2 331.420 1.531 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000354561271 445295235 /nfs/dbraw/zinc/29/52/35/445295235.db2.gz BBZQSDIVAQBYJC-QGZVFWFLSA-N 2 2 344.459 1.584 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000354665272 445332320 /nfs/dbraw/zinc/33/23/20/445332320.db2.gz PFUKYMGSVZYUGK-HNNXBMFYSA-N 2 2 337.468 1.460 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000348780891 445377536 /nfs/dbraw/zinc/37/75/36/445377536.db2.gz ATLPPSZVYORRIC-INIZCTEOSA-N 2 2 325.478 1.726 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357075854 445410456 /nfs/dbraw/zinc/41/04/56/445410456.db2.gz JHEFZGBLMUZWTN-MCIONIFRSA-N 2 2 331.416 1.326 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357075854 445410457 /nfs/dbraw/zinc/41/04/57/445410457.db2.gz JHEFZGBLMUZWTN-MCIONIFRSA-N 2 2 331.416 1.326 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000357081671 445415351 /nfs/dbraw/zinc/41/53/51/445415351.db2.gz NTUPQHXHUVZOPZ-JKSUJKDBSA-N 2 2 346.450 1.016 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000357081671 445415354 /nfs/dbraw/zinc/41/53/54/445415354.db2.gz NTUPQHXHUVZOPZ-JKSUJKDBSA-N 2 2 346.450 1.016 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354849783 445423777 /nfs/dbraw/zinc/42/37/77/445423777.db2.gz HDWFVCBOQHKKMF-JKSUJKDBSA-N 2 2 334.443 1.900 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCCC1 ZINC000362442569 445384216 /nfs/dbraw/zinc/38/42/16/445384216.db2.gz VNSRIYQSYKERBQ-INIZCTEOSA-N 2 2 349.479 1.085 20 0 EDADLP CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCCC1 ZINC000362442569 445384219 /nfs/dbraw/zinc/38/42/19/445384219.db2.gz VNSRIYQSYKERBQ-INIZCTEOSA-N 2 2 349.479 1.085 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000362455683 445391840 /nfs/dbraw/zinc/39/18/40/445391840.db2.gz SUICDTLKCUASNY-HXUWFJFHSA-N 2 2 343.471 1.443 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000362455683 445391843 /nfs/dbraw/zinc/39/18/43/445391843.db2.gz SUICDTLKCUASNY-HXUWFJFHSA-N 2 2 343.471 1.443 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000362663635 445484965 /nfs/dbraw/zinc/48/49/65/445484965.db2.gz AEQXRVUTUXRDAP-OAHLLOKOSA-N 2 2 342.418 1.770 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000362663635 445484970 /nfs/dbraw/zinc/48/49/70/445484970.db2.gz AEQXRVUTUXRDAP-OAHLLOKOSA-N 2 2 342.418 1.770 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362553948 445436127 /nfs/dbraw/zinc/43/61/27/445436127.db2.gz QXHCMAWPTLPPLP-KGLIPLIRSA-N 2 2 342.447 1.723 20 0 EDADLP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000362564232 445441336 /nfs/dbraw/zinc/44/13/36/445441336.db2.gz ISMZFVGPFAWZDO-MRXNPFEDSA-N 2 2 345.491 1.825 20 0 EDADLP CC(C)(CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C[NH+]1CCCC1 ZINC000357172336 445465930 /nfs/dbraw/zinc/46/59/30/445465930.db2.gz DRYOKPDERKFWQV-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP CC(C)(CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C[NH+]1CCCC1 ZINC000357172336 445465933 /nfs/dbraw/zinc/46/59/33/445465933.db2.gz DRYOKPDERKFWQV-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP C[NH+]1CCC(C)(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000357174049 445467219 /nfs/dbraw/zinc/46/72/19/445467219.db2.gz GTLRFGODNYANAU-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCC(C)(CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000357174049 445467222 /nfs/dbraw/zinc/46/72/22/445467222.db2.gz GTLRFGODNYANAU-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP COC(=O)c1ccccc1OCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000360005411 445523821 /nfs/dbraw/zinc/52/38/21/445523821.db2.gz SHGDRNUBIVNCQV-UHFFFAOYSA-N 2 2 336.432 1.241 20 0 EDADLP COC(=O)c1ccccc1OCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000360005411 445523826 /nfs/dbraw/zinc/52/38/26/445523826.db2.gz SHGDRNUBIVNCQV-UHFFFAOYSA-N 2 2 336.432 1.241 20 0 EDADLP CN(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000360007667 445525734 /nfs/dbraw/zinc/52/57/34/445525734.db2.gz RJKQNSDDNSVKOZ-SFHVURJKSA-N 2 2 346.475 1.126 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360031250 445537142 /nfs/dbraw/zinc/53/71/42/445537142.db2.gz ZYZLAMRCCCVKIB-HOCLYGCPSA-N 2 2 348.491 1.704 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360031250 445537147 /nfs/dbraw/zinc/53/71/47/445537147.db2.gz ZYZLAMRCCCVKIB-HOCLYGCPSA-N 2 2 348.491 1.704 20 0 EDADLP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362672926 445492178 /nfs/dbraw/zinc/49/21/78/445492178.db2.gz NDKKQQFXAGAVPD-IMXKFXGHSA-N 2 2 329.444 1.605 20 0 EDADLP COc1ccccc1/C=C\C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362672926 445492179 /nfs/dbraw/zinc/49/21/79/445492179.db2.gz NDKKQQFXAGAVPD-IMXKFXGHSA-N 2 2 329.444 1.605 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000362696349 445504455 /nfs/dbraw/zinc/50/44/55/445504455.db2.gz YHQYACQPAUBOPG-ZDUSSCGKSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000362696349 445504457 /nfs/dbraw/zinc/50/44/57/445504457.db2.gz YHQYACQPAUBOPG-ZDUSSCGKSA-N 2 2 325.815 1.875 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000360137678 445589199 /nfs/dbraw/zinc/58/91/99/445589199.db2.gz WDMALKTUGPLZRS-MRXNPFEDSA-N 3 2 341.544 1.383 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000360137678 445589204 /nfs/dbraw/zinc/58/92/04/445589204.db2.gz WDMALKTUGPLZRS-MRXNPFEDSA-N 3 2 341.544 1.383 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000360137678 445589207 /nfs/dbraw/zinc/58/92/07/445589207.db2.gz WDMALKTUGPLZRS-MRXNPFEDSA-N 3 2 341.544 1.383 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000360137678 445589211 /nfs/dbraw/zinc/58/92/11/445589211.db2.gz WDMALKTUGPLZRS-MRXNPFEDSA-N 3 2 341.544 1.383 20 0 EDADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826619 445568319 /nfs/dbraw/zinc/56/83/19/445568319.db2.gz OZCZWVZWQKXQLA-UONOGXRCSA-N 2 2 334.464 1.929 20 0 EDADLP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826619 445568324 /nfs/dbraw/zinc/56/83/24/445568324.db2.gz OZCZWVZWQKXQLA-UONOGXRCSA-N 2 2 334.464 1.929 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362829247 445570032 /nfs/dbraw/zinc/57/00/32/445570032.db2.gz GEXOBUDRCRQVQQ-INIZCTEOSA-N 2 2 344.459 1.138 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362829247 445570037 /nfs/dbraw/zinc/57/00/37/445570037.db2.gz GEXOBUDRCRQVQQ-INIZCTEOSA-N 2 2 344.459 1.138 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000362863020 445585921 /nfs/dbraw/zinc/58/59/21/445585921.db2.gz IJJCVGOXGPCPPB-HNNXBMFYSA-N 2 2 348.447 1.391 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000362863020 445585925 /nfs/dbraw/zinc/58/59/25/445585925.db2.gz IJJCVGOXGPCPPB-HNNXBMFYSA-N 2 2 348.447 1.391 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000355964356 445547623 /nfs/dbraw/zinc/54/76/23/445547623.db2.gz QBCCGCDUECNBLC-KRWDZBQOSA-N 2 2 341.544 1.383 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000358142979 445607073 /nfs/dbraw/zinc/60/70/73/445607073.db2.gz SAUDWIQUEDGXQU-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000358142979 445607080 /nfs/dbraw/zinc/60/70/80/445607080.db2.gz SAUDWIQUEDGXQU-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000353452200 445607995 /nfs/dbraw/zinc/60/79/95/445607995.db2.gz YTQRSWOUNBWDEQ-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000353452200 445607997 /nfs/dbraw/zinc/60/79/97/445607997.db2.gz YTQRSWOUNBWDEQ-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353524271 445642241 /nfs/dbraw/zinc/64/22/41/445642241.db2.gz CZGXPZULTDGFOF-JKSUJKDBSA-N 2 2 333.480 1.961 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000353524271 445642243 /nfs/dbraw/zinc/64/22/43/445642243.db2.gz CZGXPZULTDGFOF-JKSUJKDBSA-N 2 2 333.480 1.961 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353524268 445642281 /nfs/dbraw/zinc/64/22/81/445642281.db2.gz CZGXPZULTDGFOF-CVEARBPZSA-N 2 2 333.480 1.961 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000353524268 445642284 /nfs/dbraw/zinc/64/22/84/445642284.db2.gz CZGXPZULTDGFOF-CVEARBPZSA-N 2 2 333.480 1.961 20 0 EDADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000353509562 445635528 /nfs/dbraw/zinc/63/55/28/445635528.db2.gz HPGJVKJFEJQWIW-JKSUJKDBSA-N 2 2 341.402 1.534 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000360226313 445640671 /nfs/dbraw/zinc/64/06/71/445640671.db2.gz WCHSYCSJYJQORF-RDJZCZTQSA-N 2 2 332.448 1.008 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000360226313 445640674 /nfs/dbraw/zinc/64/06/74/445640674.db2.gz WCHSYCSJYJQORF-RDJZCZTQSA-N 2 2 332.448 1.008 20 0 EDADLP COC[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000360152687 445597417 /nfs/dbraw/zinc/59/74/17/445597417.db2.gz WQKPCVSBLSRWKK-CABCVRRESA-N 2 2 325.497 1.580 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000360340186 445701252 /nfs/dbraw/zinc/70/12/52/445701252.db2.gz XYSMGVRPXFFACM-IEBWSBKVSA-N 3 2 347.503 1.827 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000360340186 445701255 /nfs/dbraw/zinc/70/12/55/445701255.db2.gz XYSMGVRPXFFACM-IEBWSBKVSA-N 3 2 347.503 1.827 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000360340186 445701256 /nfs/dbraw/zinc/70/12/56/445701256.db2.gz XYSMGVRPXFFACM-IEBWSBKVSA-N 2 2 347.503 1.827 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000360340186 445701259 /nfs/dbraw/zinc/70/12/59/445701259.db2.gz XYSMGVRPXFFACM-IEBWSBKVSA-N 2 2 347.503 1.827 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000363208372 445720761 /nfs/dbraw/zinc/72/07/61/445720761.db2.gz SNGSPUYGIYRNBH-OAHLLOKOSA-N 2 2 340.431 1.551 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000363208372 445720768 /nfs/dbraw/zinc/72/07/68/445720768.db2.gz SNGSPUYGIYRNBH-OAHLLOKOSA-N 2 2 340.431 1.551 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc4ccccc4n3)C2)CC1 ZINC000363339302 445771990 /nfs/dbraw/zinc/77/19/90/445771990.db2.gz UGZWHFPTXKOSGB-AWEZNQCLSA-N 2 2 339.443 1.528 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc4ccccc4n3)C2)CC1 ZINC000363339302 445771994 /nfs/dbraw/zinc/77/19/94/445771994.db2.gz UGZWHFPTXKOSGB-AWEZNQCLSA-N 2 2 339.443 1.528 20 0 EDADLP C[NH+](C)C1(CNc2ncnc3c2C[N@H+](C)CC3)Cc2ccccc2C1 ZINC000361095910 445748865 /nfs/dbraw/zinc/74/88/65/445748865.db2.gz KIKZKDPPNPSAFZ-UHFFFAOYSA-N 2 2 337.471 1.976 20 0 EDADLP C[NH+](C)C1(CNc2ncnc3c2C[N@@H+](C)CC3)Cc2ccccc2C1 ZINC000361095910 445748870 /nfs/dbraw/zinc/74/88/70/445748870.db2.gz KIKZKDPPNPSAFZ-UHFFFAOYSA-N 2 2 337.471 1.976 20 0 EDADLP CC(C)c1cc(NC2CC[NH+](CCN(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000361162117 445750584 /nfs/dbraw/zinc/75/05/84/445750584.db2.gz QZWDRRJWPKDXJY-UHFFFAOYSA-N 2 2 334.512 2.104 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C1CC1 ZINC000356360988 445752701 /nfs/dbraw/zinc/75/27/01/445752701.db2.gz XPYSZYOBISZWLO-OAHLLOKOSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C1CC1 ZINC000356360988 445752707 /nfs/dbraw/zinc/75/27/07/445752707.db2.gz XPYSZYOBISZWLO-OAHLLOKOSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[N@H+](C)C1CC1 ZINC000356360988 445752710 /nfs/dbraw/zinc/75/27/10/445752710.db2.gz XPYSZYOBISZWLO-OAHLLOKOSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1)[N@@H+](C)C1CC1 ZINC000356360988 445752715 /nfs/dbraw/zinc/75/27/15/445752715.db2.gz XPYSZYOBISZWLO-OAHLLOKOSA-N 3 2 339.528 1.137 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)CC1 ZINC000358741561 445753099 /nfs/dbraw/zinc/75/30/99/445753099.db2.gz AWMVZZDFOIBHCF-IRXDYDNUSA-N 2 2 329.448 1.577 20 0 EDADLP CO[C@@H]1COC[C@@H]1n1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)nn1 ZINC000356366787 445755060 /nfs/dbraw/zinc/75/50/60/445755060.db2.gz NUHHEERGIGLBEV-DLBZAZTESA-N 2 2 331.420 1.290 20 0 EDADLP CO[C@@H]1COC[C@H]1n1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)nn1 ZINC000356366790 445755075 /nfs/dbraw/zinc/75/50/75/445755075.db2.gz NUHHEERGIGLBEV-IAGOWNOFSA-N 2 2 331.420 1.290 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356415644 445779811 /nfs/dbraw/zinc/77/98/11/445779811.db2.gz IMFCABMCEJAOBG-STQMWFEESA-N 2 2 349.479 1.708 20 0 EDADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc2c(c1)COC2 ZINC000361484992 445783067 /nfs/dbraw/zinc/78/30/67/445783067.db2.gz LQGCEHDRGPNGKF-KRWDZBQOSA-N 2 2 347.503 1.758 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC000350210542 445793844 /nfs/dbraw/zinc/79/38/44/445793844.db2.gz KCZKCCGVXDQHDD-OAHLLOKOSA-N 2 2 337.468 1.100 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C)nn2C)C1 ZINC000350210542 445793848 /nfs/dbraw/zinc/79/38/48/445793848.db2.gz KCZKCCGVXDQHDD-OAHLLOKOSA-N 2 2 337.468 1.100 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000363453529 445811622 /nfs/dbraw/zinc/81/16/22/445811622.db2.gz YQFRTKQAYPFVKG-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000363453529 445811628 /nfs/dbraw/zinc/81/16/28/445811628.db2.gz YQFRTKQAYPFVKG-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000361687232 445877967 /nfs/dbraw/zinc/87/79/67/445877967.db2.gz NRDVBZRBELIPGH-KZNAEPCWSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000361687232 445877971 /nfs/dbraw/zinc/87/79/71/445877971.db2.gz NRDVBZRBELIPGH-KZNAEPCWSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000356607717 445882715 /nfs/dbraw/zinc/88/27/15/445882715.db2.gz XYLXESUQLVCWQC-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000356607717 445882720 /nfs/dbraw/zinc/88/27/20/445882720.db2.gz XYLXESUQLVCWQC-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000356607717 445882725 /nfs/dbraw/zinc/88/27/25/445882725.db2.gz XYLXESUQLVCWQC-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000356607717 445882729 /nfs/dbraw/zinc/88/27/29/445882729.db2.gz XYLXESUQLVCWQC-RDJZCZTQSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC000356529201 445843255 /nfs/dbraw/zinc/84/32/55/445843255.db2.gz CYOPJUIQGCJGDK-CQSZACIVSA-N 2 2 330.432 1.987 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC000356529201 445843259 /nfs/dbraw/zinc/84/32/59/445843259.db2.gz CYOPJUIQGCJGDK-CQSZACIVSA-N 2 2 330.432 1.987 20 0 EDADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)C1 ZINC000365962945 445931277 /nfs/dbraw/zinc/93/12/77/445931277.db2.gz OZWCKYUNLYAQSS-DLBZAZTESA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)C1 ZINC000365962945 445931281 /nfs/dbraw/zinc/93/12/81/445931281.db2.gz OZWCKYUNLYAQSS-DLBZAZTESA-N 2 2 336.524 1.392 20 0 EDADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)[C@@H](C[NH3+])C1 ZINC000359038010 445901700 /nfs/dbraw/zinc/90/17/00/445901700.db2.gz FFLXYMNJFNUURC-SJORKVTESA-N 2 2 333.432 1.656 20 0 EDADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)[C@@H](C[NH3+])C1 ZINC000359038010 445901704 /nfs/dbraw/zinc/90/17/04/445901704.db2.gz FFLXYMNJFNUURC-SJORKVTESA-N 2 2 333.432 1.656 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1(C)C ZINC000369126722 445942506 /nfs/dbraw/zinc/94/25/06/445942506.db2.gz MNFAFLOMBDYSGY-UHFFFAOYSA-N 2 2 348.495 1.325 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1(C)C ZINC000369126722 445942509 /nfs/dbraw/zinc/94/25/09/445942509.db2.gz MNFAFLOMBDYSGY-UHFFFAOYSA-N 2 2 348.495 1.325 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1(C)C ZINC000369126722 445942511 /nfs/dbraw/zinc/94/25/11/445942511.db2.gz MNFAFLOMBDYSGY-UHFFFAOYSA-N 2 2 348.495 1.325 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1(C)C ZINC000369126722 445942514 /nfs/dbraw/zinc/94/25/14/445942514.db2.gz MNFAFLOMBDYSGY-UHFFFAOYSA-N 2 2 348.495 1.325 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000359050974 445911671 /nfs/dbraw/zinc/91/16/71/445911671.db2.gz YVVOWEJKUCRDTQ-KRWDZBQOSA-N 2 2 345.491 1.194 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)c1 ZINC000361751638 445915481 /nfs/dbraw/zinc/91/54/81/445915481.db2.gz OFHADDJCZSKLKY-JKSUJKDBSA-N 2 2 332.448 1.419 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)c1 ZINC000361751638 445915489 /nfs/dbraw/zinc/91/54/89/445915489.db2.gz OFHADDJCZSKLKY-JKSUJKDBSA-N 2 2 332.448 1.419 20 0 EDADLP CCCCCC[C@H](O)C[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000372988913 445962653 /nfs/dbraw/zinc/96/26/53/445962653.db2.gz FBWRNRZBOXXDMM-CEXWTWQISA-N 2 2 341.540 1.654 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)[NH+]1CCOCC1 ZINC000364696180 445946565 /nfs/dbraw/zinc/94/65/65/445946565.db2.gz LCQIFYCDGLABJG-AEFFLSMTSA-N 2 2 348.491 1.760 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000582822144 325934480 /nfs/dbraw/zinc/93/44/80/325934480.db2.gz AALFWALLVOZMCD-KRWDZBQOSA-N 2 2 339.443 1.725 20 0 EDADLP C[C@H](Oc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273548 446038364 /nfs/dbraw/zinc/03/83/64/446038364.db2.gz HLMYVEFZKICXOG-HOTGVXAUSA-N 2 2 331.460 1.739 20 0 EDADLP C[C@H](Oc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273548 446038374 /nfs/dbraw/zinc/03/83/74/446038374.db2.gz HLMYVEFZKICXOG-HOTGVXAUSA-N 2 2 331.460 1.739 20 0 EDADLP COc1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369274657 446039759 /nfs/dbraw/zinc/03/97/59/446039759.db2.gz RDKNXZWVOOFXDG-INIZCTEOSA-N 2 2 331.460 1.522 20 0 EDADLP COc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369274657 446039763 /nfs/dbraw/zinc/03/97/63/446039763.db2.gz RDKNXZWVOOFXDG-INIZCTEOSA-N 2 2 331.460 1.522 20 0 EDADLP CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275599 446040904 /nfs/dbraw/zinc/04/09/04/446040904.db2.gz XZBWDHKYNCQQTE-HNNXBMFYSA-N 2 2 331.460 1.984 20 0 EDADLP CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275599 446040911 /nfs/dbraw/zinc/04/09/11/446040911.db2.gz XZBWDHKYNCQQTE-HNNXBMFYSA-N 2 2 331.460 1.984 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)CC1CC1 ZINC000369218406 446000426 /nfs/dbraw/zinc/00/04/26/446000426.db2.gz IELWGYNOSZXPIH-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1)CC1CC1 ZINC000369218406 446000431 /nfs/dbraw/zinc/00/04/31/446000431.db2.gz IELWGYNOSZXPIH-IBGZPJMESA-N 2 2 345.487 1.736 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)CC1CC1 ZINC000369218406 446000435 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/nfs/dbraw/zinc/00/90/45/446009045.db2.gz YBUGFTUDHJGHPU-DVOMOZLQSA-N 2 2 345.447 1.526 20 0 EDADLP Cc1ccc([C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)c2ccccn2)cc1 ZINC000369289784 446050883 /nfs/dbraw/zinc/05/08/83/446050883.db2.gz FDQIVHNYEIECJR-FQEVSTJZSA-N 2 2 338.455 1.843 20 0 EDADLP CC(C)[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000354257796 446053368 /nfs/dbraw/zinc/05/33/68/446053368.db2.gz ZMDQRYYNDQGNOE-KSZLIROESA-N 2 2 339.524 1.799 20 0 EDADLP CC(C)[C@H](O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000354257796 446053371 /nfs/dbraw/zinc/05/33/71/446053371.db2.gz ZMDQRYYNDQGNOE-KSZLIROESA-N 2 2 339.524 1.799 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc(N3CCCC3)nc2)CCCO1 ZINC000583484080 326080461 /nfs/dbraw/zinc/08/04/61/326080461.db2.gz JDVIGAGIOLXKAV-MRXNPFEDSA-N 2 2 333.480 1.667 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc(N3CCCC3)nc2)CCCO1 ZINC000583484080 326080464 /nfs/dbraw/zinc/08/04/64/326080464.db2.gz JDVIGAGIOLXKAV-MRXNPFEDSA-N 2 2 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C[C@@H]1C(=O)CC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373500729 446240095 /nfs/dbraw/zinc/24/00/95/446240095.db2.gz GABFNZDKJBOAIG-ZOBUZTSGSA-N 2 2 335.492 1.619 20 0 EDADLP C[C@@H]1C(=O)CC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373500729 446240097 /nfs/dbraw/zinc/24/00/97/446240097.db2.gz GABFNZDKJBOAIG-ZOBUZTSGSA-N 2 2 335.492 1.619 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000373539142 446253112 /nfs/dbraw/zinc/25/31/12/446253112.db2.gz QKBNRJCYTCIQNY-UHFFFAOYSA-N 2 2 348.491 1.629 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000362305765 446313804 /nfs/dbraw/zinc/31/38/04/446313804.db2.gz WDNWKYNCHPIDRI-WCVJEAGWSA-N 2 2 330.494 1.043 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000362305765 446313806 /nfs/dbraw/zinc/31/38/06/446313806.db2.gz WDNWKYNCHPIDRI-WCVJEAGWSA-N 2 2 330.494 1.043 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2CCSC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000365753613 446328484 /nfs/dbraw/zinc/32/84/84/446328484.db2.gz NQXDXEWGPMQKLN-CABCVRRESA-N 2 2 340.537 1.549 20 0 EDADLP c1cc2[nH+]ccc(NC[C@]3([NH+]4CCOCC4)CCCOC3)c2cn1 ZINC000370573866 446337752 /nfs/dbraw/zinc/33/77/52/446337752.db2.gz MIWWASDZWQCZSH-GOSISDBHSA-N 2 2 328.416 1.345 20 0 EDADLP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000370616151 446358876 /nfs/dbraw/zinc/35/88/76/446358876.db2.gz OPPFMJUPPWMQHU-GDBMZVCRSA-N 2 2 338.521 1.817 20 0 EDADLP CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000417518273 446360604 /nfs/dbraw/zinc/36/06/04/446360604.db2.gz KJXXJYOQDWSQPD-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000417530243 446362496 /nfs/dbraw/zinc/36/24/96/446362496.db2.gz YBBNDYHKKGEIMZ-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000411031290 446392900 /nfs/dbraw/zinc/39/29/00/446392900.db2.gz SODTVQPEGDFGMC-CABCVRRESA-N 2 2 347.463 1.057 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000411031290 446392905 /nfs/dbraw/zinc/39/29/05/446392905.db2.gz SODTVQPEGDFGMC-CABCVRRESA-N 2 2 347.463 1.057 20 0 EDADLP O=C(CC[N@H+]1CCCC[C@H](CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000374053291 446349491 /nfs/dbraw/zinc/34/94/91/446349491.db2.gz XUXLKMHKYNZXTO-KRWDZBQOSA-N 2 2 346.475 1.215 20 0 EDADLP O=C(CC[N@@H+]1CCCC[C@H](CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000374053291 446349492 /nfs/dbraw/zinc/34/94/92/446349492.db2.gz XUXLKMHKYNZXTO-KRWDZBQOSA-N 2 2 346.475 1.215 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411137010 446408158 /nfs/dbraw/zinc/40/81/58/446408158.db2.gz BDDAUVUDTOLTIX-UHFFFAOYSA-N 2 2 336.436 1.030 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411137010 446408164 /nfs/dbraw/zinc/40/81/64/446408164.db2.gz BDDAUVUDTOLTIX-UHFFFAOYSA-N 2 2 336.436 1.030 20 0 EDADLP Cn1c(Cl)cnc1CNC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366923240 446412032 /nfs/dbraw/zinc/41/20/32/446412032.db2.gz RSIGJAUCJYCMEI-UHFFFAOYSA-N 2 2 325.888 1.722 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@]2([NH+](C)C)CCCSC2)CC1 ZINC000366952634 446425412 /nfs/dbraw/zinc/42/54/12/446425412.db2.gz APUVDOGUEBCQHQ-KRWDZBQOSA-N 2 2 343.537 1.383 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000411265264 446454298 /nfs/dbraw/zinc/45/42/98/446454298.db2.gz IRGJMMFQEFXBJD-HNNXBMFYSA-N 2 2 332.448 1.746 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000411265264 446454304 /nfs/dbraw/zinc/45/43/04/446454304.db2.gz IRGJMMFQEFXBJD-HNNXBMFYSA-N 2 2 332.448 1.746 20 0 EDADLP CN(C(=O)c1cccc(C(N)=O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830200 446463914 /nfs/dbraw/zinc/46/39/14/446463914.db2.gz LQDSFIHZJRZSGC-KRWDZBQOSA-N 2 2 344.459 1.026 20 0 EDADLP CN(C(=O)c1cccc(C(N)=O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830200 446463920 /nfs/dbraw/zinc/46/39/20/446463920.db2.gz LQDSFIHZJRZSGC-KRWDZBQOSA-N 2 2 344.459 1.026 20 0 EDADLP CCc1nc(N2CC[NH+](C3(C(N)=O)CCCCC3)CC2)cc(C)[nH+]1 ZINC000376401646 446476103 /nfs/dbraw/zinc/47/61/03/446476103.db2.gz CHHUUISIHOFDTP-UHFFFAOYSA-N 2 2 331.464 1.658 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030251 446476712 /nfs/dbraw/zinc/47/67/12/446476712.db2.gz PJCQFOPIRJODPN-MJGOQNOKSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030251 446476716 /nfs/dbraw/zinc/47/67/16/446476716.db2.gz PJCQFOPIRJODPN-MJGOQNOKSA-N 2 2 344.503 1.261 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418283625 446482854 /nfs/dbraw/zinc/48/28/54/446482854.db2.gz AFNRQFNORRBNJC-UHFFFAOYSA-N 2 2 348.495 1.006 20 0 EDADLP Cc1cccc2nc(C[N@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cc(=O)n12 ZINC000420320919 446488431 /nfs/dbraw/zinc/48/84/31/446488431.db2.gz UNSHNWAKSYAWSN-ZWKOTPCHSA-N 2 2 334.423 1.930 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)cc(=O)n12 ZINC000420320919 446488433 /nfs/dbraw/zinc/48/84/33/446488433.db2.gz UNSHNWAKSYAWSN-ZWKOTPCHSA-N 2 2 334.423 1.930 20 0 EDADLP C[C@H]1CN(CC[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)CCO1 ZINC000367049452 446489611 /nfs/dbraw/zinc/48/96/11/446489611.db2.gz FXWOPOJFADGZJN-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H]1CN(CC[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)CCO1 ZINC000367049452 446489618 /nfs/dbraw/zinc/48/96/18/446489618.db2.gz FXWOPOJFADGZJN-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H]1C[N@H+](CCN(C)C2CC[NH+](CCc3ccncc3)CC2)CCO1 ZINC000367049452 446489624 /nfs/dbraw/zinc/48/96/24/446489624.db2.gz FXWOPOJFADGZJN-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@H]1C[N@@H+](CCN(C)C2CC[NH+](CCc3ccncc3)CC2)CCO1 ZINC000367049452 446489629 /nfs/dbraw/zinc/48/96/29/446489629.db2.gz FXWOPOJFADGZJN-SFHVURJKSA-N 2 2 346.519 1.741 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H](C)O1 ZINC000370871914 446490204 /nfs/dbraw/zinc/49/02/04/446490204.db2.gz DYPKCDSCILOTQM-XHSDSOJGSA-N 2 2 334.464 1.451 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H](C)O1 ZINC000370871914 446490211 /nfs/dbraw/zinc/49/02/11/446490211.db2.gz DYPKCDSCILOTQM-XHSDSOJGSA-N 2 2 334.464 1.451 20 0 EDADLP C[C@H]1CC[NH2+][C@H](C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000423328876 446489097 /nfs/dbraw/zinc/48/90/97/446489097.db2.gz SOCIYYGEOSODLU-RDJZCZTQSA-N 2 2 326.444 1.978 20 0 EDADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000423373641 446507344 /nfs/dbraw/zinc/50/73/44/446507344.db2.gz HMRUOGMMFCVMHQ-KGLIPLIRSA-N 2 2 325.478 1.875 20 0 EDADLP CCCCCCNC(=O)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375005691 446509168 /nfs/dbraw/zinc/50/91/68/446509168.db2.gz SOFXNMFKPCDIGJ-SFHVURJKSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCCCNC(=O)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375005691 446509171 /nfs/dbraw/zinc/50/91/71/446509171.db2.gz SOFXNMFKPCDIGJ-SFHVURJKSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCCCNC(=O)CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375005691 446509173 /nfs/dbraw/zinc/50/91/73/446509173.db2.gz SOFXNMFKPCDIGJ-SFHVURJKSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCCCNC(=O)CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375005691 446509177 /nfs/dbraw/zinc/50/91/77/446509177.db2.gz SOFXNMFKPCDIGJ-SFHVURJKSA-N 2 2 338.540 1.783 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000423506496 446558203 /nfs/dbraw/zinc/55/82/03/446558203.db2.gz GZXXSYDOVYBJIG-MWLCHTKSSA-N 2 2 330.295 1.991 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(OCc2nccn2C)cc1 ZINC000423528339 446562492 /nfs/dbraw/zinc/56/24/92/446562492.db2.gz UABSWDHWUQVALR-WMLDXEAASA-N 2 2 330.432 1.638 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423528437 446563307 /nfs/dbraw/zinc/56/33/07/446563307.db2.gz WOVCTNWXIQMIHQ-HAGHYFMRSA-N 3 2 328.504 1.675 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423528437 446563314 /nfs/dbraw/zinc/56/33/14/446563314.db2.gz WOVCTNWXIQMIHQ-HAGHYFMRSA-N 3 2 328.504 1.675 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000370920390 446522823 /nfs/dbraw/zinc/52/28/23/446522823.db2.gz MXONRHCEWCWFER-UHFFFAOYSA-N 2 2 330.436 1.749 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000420353800 446533975 /nfs/dbraw/zinc/53/39/75/446533975.db2.gz CGZGXOYLPHBTJR-QGZVFWFLSA-N 2 2 346.475 1.872 20 0 EDADLP COc1ccc(CNC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000420355232 446536257 /nfs/dbraw/zinc/53/62/57/446536257.db2.gz FAUCYDSBPBBCNJ-INIZCTEOSA-N 2 2 349.475 1.817 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000420362329 446541820 /nfs/dbraw/zinc/54/18/20/446541820.db2.gz MYYQEYKVMJCLKL-MRXNPFEDSA-N 2 2 328.460 1.857 20 0 EDADLP [NH3+]C[C@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)C1CCCCC1 ZINC000420364507 446543690 /nfs/dbraw/zinc/54/36/90/446543690.db2.gz RAFRCEOIWDOWJU-HNNXBMFYSA-N 2 2 330.432 1.469 20 0 EDADLP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423453547 446543987 /nfs/dbraw/zinc/54/39/87/446543987.db2.gz KTRISXQXDCEIFE-OICBVUGWSA-N 2 2 343.880 1.507 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000418441526 446545844 /nfs/dbraw/zinc/54/58/44/446545844.db2.gz RWXTVHJFTBXOCX-HNNXBMFYSA-N 2 2 326.485 1.256 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000418441526 446545849 /nfs/dbraw/zinc/54/58/49/446545849.db2.gz RWXTVHJFTBXOCX-HNNXBMFYSA-N 2 2 326.485 1.256 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000420374072 446552960 /nfs/dbraw/zinc/55/29/60/446552960.db2.gz NBXXTQWPTNVWPR-HKUYNNGSSA-N 2 2 334.460 1.865 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@H](COCC3CC3)C2)cc1 ZINC000420374072 446552963 /nfs/dbraw/zinc/55/29/63/446552963.db2.gz NBXXTQWPTNVWPR-HKUYNNGSSA-N 2 2 334.460 1.865 20 0 EDADLP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000411467203 446555993 /nfs/dbraw/zinc/55/59/93/446555993.db2.gz WGJMCHZPBHZKSB-AWEZNQCLSA-N 2 2 329.404 1.216 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)NC(=O)Nc1ccccc1F ZINC000420381738 446557514 /nfs/dbraw/zinc/55/75/14/446557514.db2.gz ZJDSLZFIKISMSM-MCYUEQNJSA-N 2 2 336.411 1.838 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000420393277 446569221 /nfs/dbraw/zinc/56/92/21/446569221.db2.gz XICFJNIVSFECBW-LSDHHAIUSA-N 2 2 335.448 1.215 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000420393277 446569222 /nfs/dbraw/zinc/56/92/22/446569222.db2.gz XICFJNIVSFECBW-LSDHHAIUSA-N 2 2 335.448 1.215 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418511171 446573305 /nfs/dbraw/zinc/57/33/05/446573305.db2.gz JAZBRPTYCNRRRZ-GFCCVEGCSA-N 2 2 327.379 1.064 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423577729 446585263 /nfs/dbraw/zinc/58/52/63/446585263.db2.gz SQHXNPLHJGLPJA-HKUYNNGSSA-N 3 2 330.520 1.910 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423577729 446585272 /nfs/dbraw/zinc/58/52/72/446585272.db2.gz SQHXNPLHJGLPJA-HKUYNNGSSA-N 3 2 330.520 1.910 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423577729 446585277 /nfs/dbraw/zinc/58/52/77/446585277.db2.gz SQHXNPLHJGLPJA-HKUYNNGSSA-N 3 2 330.520 1.910 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423577729 446585285 /nfs/dbraw/zinc/58/52/85/446585285.db2.gz SQHXNPLHJGLPJA-HKUYNNGSSA-N 3 2 330.520 1.910 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371179702 446676312 /nfs/dbraw/zinc/67/63/12/446676312.db2.gz YJBQJPXKENJKHX-HOTGVXAUSA-N 2 2 338.496 1.807 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371179702 446676317 /nfs/dbraw/zinc/67/63/17/446676317.db2.gz YJBQJPXKENJKHX-HOTGVXAUSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000368101783 446642167 /nfs/dbraw/zinc/64/21/67/446642167.db2.gz LKMCJONWXMXFNU-TZMCWYRMSA-N 2 2 348.472 1.868 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000368101783 446642174 /nfs/dbraw/zinc/64/21/74/446642174.db2.gz LKMCJONWXMXFNU-TZMCWYRMSA-N 2 2 348.472 1.868 20 0 EDADLP COCC[C@@]1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC[NH2+]C1 ZINC000423706362 446651186 /nfs/dbraw/zinc/65/11/86/446651186.db2.gz BEMXXRICKSMSNA-IBGZPJMESA-N 2 2 349.450 1.486 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000368128780 446657840 /nfs/dbraw/zinc/65/78/40/446657840.db2.gz JUFYCKYGLIXIEW-PMPSAXMXSA-N 2 2 329.448 1.708 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000368128780 446657848 /nfs/dbraw/zinc/65/78/48/446657848.db2.gz JUFYCKYGLIXIEW-PMPSAXMXSA-N 2 2 329.448 1.708 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000418736729 446661052 /nfs/dbraw/zinc/66/10/52/446661052.db2.gz UVNPWJYVCLQLNU-WMZOPIPTSA-N 2 2 348.491 1.656 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000418651888 446634619 /nfs/dbraw/zinc/63/46/19/446634619.db2.gz MAJHYPQGARHSJI-SJLPKXTDSA-N 2 2 348.491 1.659 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000418651888 446634628 /nfs/dbraw/zinc/63/46/28/446634628.db2.gz MAJHYPQGARHSJI-SJLPKXTDSA-N 2 2 348.491 1.659 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000418782975 446700433 /nfs/dbraw/zinc/70/04/33/446700433.db2.gz FPJVDAAXLPRQQV-SJORKVTESA-N 2 2 346.475 1.520 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423829474 446717624 /nfs/dbraw/zinc/71/76/24/446717624.db2.gz PBYOQKDDZPBPLI-MCIONIFRSA-N 2 2 327.400 1.489 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@H]2CSC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423829474 446717639 /nfs/dbraw/zinc/71/76/39/446717639.db2.gz PBYOQKDDZPBPLI-MCIONIFRSA-N 2 2 327.400 1.489 20 0 EDADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3COCC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000423828623 446718239 /nfs/dbraw/zinc/71/82/39/446718239.db2.gz OHXIEVLMAMKHAK-FGTMMUONSA-N 2 2 345.443 1.078 20 0 EDADLP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3COCC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000423828623 446718244 /nfs/dbraw/zinc/71/82/44/446718244.db2.gz OHXIEVLMAMKHAK-FGTMMUONSA-N 2 2 345.443 1.078 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000623178117 450435213 /nfs/dbraw/zinc/43/52/13/450435213.db2.gz DCSGOZWYSRANGI-GOEBONIOSA-N 2 2 328.391 1.758 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375337735 446732446 /nfs/dbraw/zinc/73/24/46/446732446.db2.gz UJINZBCZWSYNKY-UHFFFAOYSA-N 2 2 335.467 1.974 20 0 EDADLP Cc1cc(F)ccc1C[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000375337735 446732453 /nfs/dbraw/zinc/73/24/53/446732453.db2.gz UJINZBCZWSYNKY-UHFFFAOYSA-N 2 2 335.467 1.974 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000376819860 446737134 /nfs/dbraw/zinc/73/71/34/446737134.db2.gz QEHXCMVKIQUODU-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)C2)CC1 ZINC000418759683 446678904 /nfs/dbraw/zinc/67/89/04/446678904.db2.gz KORSGAYERVZNPC-CABCVRRESA-N 2 2 344.450 1.605 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000368270632 446751646 /nfs/dbraw/zinc/75/16/46/446751646.db2.gz ZNJZTDUCQLZQGR-XUVXKRRUSA-N 2 2 329.488 1.881 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423914405 446763921 /nfs/dbraw/zinc/76/39/21/446763921.db2.gz AMFZKDYXHIQLFU-RDJZCZTQSA-N 2 2 340.427 1.827 20 0 EDADLP CCCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000423917374 446767487 /nfs/dbraw/zinc/76/74/87/446767487.db2.gz NXSGSLXHTRAUDZ-SOUVJXGZSA-N 2 2 339.459 1.308 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c[nH+]1 ZINC000371316745 446769779 /nfs/dbraw/zinc/76/97/79/446769779.db2.gz IQFQGYMYALAKHE-QAPCUYQASA-N 2 2 345.491 1.610 20 0 EDADLP C[C@H]([NH3+])CCC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423922818 446771237 /nfs/dbraw/zinc/77/12/37/446771237.db2.gz ATEJTQBLGJGICZ-LSDHHAIUSA-N 2 2 332.448 1.789 20 0 EDADLP C[C@@H]([NH3+])CCC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423922812 446771546 /nfs/dbraw/zinc/77/15/46/446771546.db2.gz ATEJTQBLGJGICZ-CABCVRRESA-N 2 2 332.448 1.789 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000371321404 446773130 /nfs/dbraw/zinc/77/31/30/446773130.db2.gz QFAWFMYLOLIJQK-MRXNPFEDSA-N 2 2 341.463 1.269 20 0 EDADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000371321404 446773131 /nfs/dbraw/zinc/77/31/31/446773131.db2.gz QFAWFMYLOLIJQK-MRXNPFEDSA-N 2 2 341.463 1.269 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000423929294 446779766 /nfs/dbraw/zinc/77/97/66/446779766.db2.gz MEEZNBXBIBYNTO-WDEREUQCSA-N 2 2 328.363 1.110 20 0 EDADLP c1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000376893936 446783813 /nfs/dbraw/zinc/78/38/13/446783813.db2.gz RBGOTECGIUDENK-XHSDSOJGSA-N 2 2 329.448 1.234 20 0 EDADLP c1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000376893936 446783815 /nfs/dbraw/zinc/78/38/15/446783815.db2.gz RBGOTECGIUDENK-XHSDSOJGSA-N 2 2 329.448 1.234 20 0 EDADLP CC(C)c1nc(N2CCCN(CC[NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000371334095 446785099 /nfs/dbraw/zinc/78/50/99/446785099.db2.gz DJASQLFLPBQWJU-UHFFFAOYSA-N 2 2 335.500 1.135 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)C1 ZINC000375426690 446791151 /nfs/dbraw/zinc/79/11/51/446791151.db2.gz ODJVVEQRWGRWGG-MRXNPFEDSA-N 2 2 330.480 1.293 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)C1 ZINC000375426690 446791154 /nfs/dbraw/zinc/79/11/54/446791154.db2.gz ODJVVEQRWGRWGG-MRXNPFEDSA-N 2 2 330.480 1.293 20 0 EDADLP [NH3+]C1(CNC(=O)c2ncccc2O)CC[NH+](Cc2ccccc2)CC1 ZINC000424015770 446823553 /nfs/dbraw/zinc/82/35/53/446823553.db2.gz AGDCWQIQENUSJE-UHFFFAOYSA-N 2 2 340.427 1.511 20 0 EDADLP Cc1cc(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000376990675 446845059 /nfs/dbraw/zinc/84/50/59/446845059.db2.gz DRLUXZWDYCEUDW-MRXNPFEDSA-N 2 2 349.479 1.335 20 0 EDADLP Cc1cc(CCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000376990675 446845068 /nfs/dbraw/zinc/84/50/68/446845068.db2.gz DRLUXZWDYCEUDW-MRXNPFEDSA-N 2 2 349.479 1.335 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000371423637 446845485 /nfs/dbraw/zinc/84/54/85/446845485.db2.gz DHUDJOGUALVOAU-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000371423637 446845487 /nfs/dbraw/zinc/84/54/87/446845487.db2.gz DHUDJOGUALVOAU-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000368355719 446808037 /nfs/dbraw/zinc/80/80/37/446808037.db2.gz QZHXFSCLLSWYEU-QGZVFWFLSA-N 2 2 332.448 1.215 20 0 EDADLP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000368355719 446808046 /nfs/dbraw/zinc/80/80/46/446808046.db2.gz QZHXFSCLLSWYEU-QGZVFWFLSA-N 2 2 332.448 1.215 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377036074 446875832 /nfs/dbraw/zinc/87/58/32/446875832.db2.gz WRIQUCGLABVIAS-HOJAQTOUSA-N 3 2 349.567 1.560 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377036074 446875836 /nfs/dbraw/zinc/87/58/36/446875836.db2.gz WRIQUCGLABVIAS-HOJAQTOUSA-N 3 2 349.567 1.560 20 0 EDADLP CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912333 446884384 /nfs/dbraw/zinc/88/43/84/446884384.db2.gz HKZRXDVIFMUKNV-SFHVURJKSA-N 2 2 331.460 1.477 20 0 EDADLP CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420912333 446884387 /nfs/dbraw/zinc/88/43/87/446884387.db2.gz HKZRXDVIFMUKNV-SFHVURJKSA-N 2 2 331.460 1.477 20 0 EDADLP CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420935354 446907331 /nfs/dbraw/zinc/90/73/31/446907331.db2.gz JVTBMWBFBGMISR-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420935354 446907339 /nfs/dbraw/zinc/90/73/39/446907339.db2.gz JVTBMWBFBGMISR-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CN(C)C(=O)NCC[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420939325 446911024 /nfs/dbraw/zinc/91/10/24/446911024.db2.gz MYGSVNZCHIUTBQ-UHFFFAOYSA-N 2 2 334.464 1.222 20 0 EDADLP CN(C)C(=O)NCC[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420939325 446911031 /nfs/dbraw/zinc/91/10/31/446911031.db2.gz MYGSVNZCHIUTBQ-UHFFFAOYSA-N 2 2 334.464 1.222 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000375617799 446927030 /nfs/dbraw/zinc/92/70/30/446927030.db2.gz KFTBWLNHQMTCNM-QGZVFWFLSA-N 2 2 333.480 1.926 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000375617799 446927037 /nfs/dbraw/zinc/92/70/37/446927037.db2.gz KFTBWLNHQMTCNM-QGZVFWFLSA-N 2 2 333.480 1.926 20 0 EDADLP CN1CCO[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000420968112 446939350 /nfs/dbraw/zinc/93/93/50/446939350.db2.gz VKOYVYYQZJGSMK-PMACEKPBSA-N 2 2 345.487 1.424 20 0 EDADLP CN1CCO[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000420968112 446939358 /nfs/dbraw/zinc/93/93/58/446939358.db2.gz VKOYVYYQZJGSMK-PMACEKPBSA-N 2 2 345.487 1.424 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000368584535 446957617 /nfs/dbraw/zinc/95/76/17/446957617.db2.gz MZDKSQGLQQSJFX-UHFFFAOYSA-N 2 2 349.479 1.472 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000368584535 446957624 /nfs/dbraw/zinc/95/76/24/446957624.db2.gz MZDKSQGLQQSJFX-UHFFFAOYSA-N 2 2 349.479 1.472 20 0 EDADLP C[C@H]1CN(Cc2cnc3cnccn23)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368585199 446959651 /nfs/dbraw/zinc/95/96/51/446959651.db2.gz PROXJFKJUNJCKW-HNNXBMFYSA-N 2 2 328.464 1.330 20 0 EDADLP C[C@H]1CN(Cc2cnc3cnccn23)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368585199 446959658 /nfs/dbraw/zinc/95/96/58/446959658.db2.gz PROXJFKJUNJCKW-HNNXBMFYSA-N 2 2 328.464 1.330 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnc3cnccn23)CCN1C1CC[NH+](C)CC1 ZINC000368585199 446959663 /nfs/dbraw/zinc/95/96/63/446959663.db2.gz PROXJFKJUNJCKW-HNNXBMFYSA-N 2 2 328.464 1.330 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnc3cnccn23)CCN1C1CC[NH+](C)CC1 ZINC000368585199 446959669 /nfs/dbraw/zinc/95/96/69/446959669.db2.gz PROXJFKJUNJCKW-HNNXBMFYSA-N 2 2 328.464 1.330 20 0 EDADLP CCOC(=O)[C@H](CC)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420987036 446964338 /nfs/dbraw/zinc/96/43/38/446964338.db2.gz ZNGGGGRJURLXTK-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP CCOC(=O)[C@H](CC)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420987036 446964341 /nfs/dbraw/zinc/96/43/41/446964341.db2.gz ZNGGGGRJURLXTK-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP CCOC(=O)[C@H](CC)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420987036 446964344 /nfs/dbraw/zinc/96/43/44/446964344.db2.gz ZNGGGGRJURLXTK-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP CCOC(=O)[C@H](CC)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420987036 446964349 /nfs/dbraw/zinc/96/43/49/446964349.db2.gz ZNGGGGRJURLXTK-KRWDZBQOSA-N 2 2 325.497 1.820 20 0 EDADLP COc1ccccc1[C@@H](CNc1cc(NC[C@H](C)O)[nH+]cn1)[NH+](C)C ZINC000413026152 446987367 /nfs/dbraw/zinc/98/73/67/446987367.db2.gz INWMCTGFGQSWCP-DZGCQCFKSA-N 2 2 345.447 1.993 20 0 EDADLP C[C@@H](O)CNc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC000413157069 447039007 /nfs/dbraw/zinc/03/90/07/447039007.db2.gz PPARVISVXPBEHE-ZIAGYGMSSA-N 2 2 335.452 1.182 20 0 EDADLP C[C@@H](O)CNc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]cn1 ZINC000413157069 447039015 /nfs/dbraw/zinc/03/90/15/447039015.db2.gz PPARVISVXPBEHE-ZIAGYGMSSA-N 2 2 335.452 1.182 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(C)Cc3ccco3)C2)CC1 ZINC000375891706 447124985 /nfs/dbraw/zinc/12/49/85/447124985.db2.gz RVQNZCJEYRMGHG-QGZVFWFLSA-N 2 2 348.491 1.338 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccco3)C2)CC1 ZINC000375891706 447124996 /nfs/dbraw/zinc/12/49/96/447124996.db2.gz RVQNZCJEYRMGHG-QGZVFWFLSA-N 2 2 348.491 1.338 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000372539145 447122782 /nfs/dbraw/zinc/12/27/82/447122782.db2.gz OVAHJCDCWAGVRT-JKSUJKDBSA-N 2 2 346.479 1.177 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+](C)Cc2ncccn2)C1 ZINC000372539145 447122787 /nfs/dbraw/zinc/12/27/87/447122787.db2.gz OVAHJCDCWAGVRT-JKSUJKDBSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000372539145 447122789 /nfs/dbraw/zinc/12/27/89/447122789.db2.gz OVAHJCDCWAGVRT-JKSUJKDBSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000372539145 447122793 /nfs/dbraw/zinc/12/27/93/447122793.db2.gz OVAHJCDCWAGVRT-JKSUJKDBSA-N 2 2 346.479 1.177 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)s1 ZINC000444189172 447091574 /nfs/dbraw/zinc/09/15/74/447091574.db2.gz VCRYELPWUVMTAQ-WMZOPIPTSA-N 2 2 333.501 1.954 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)s1 ZINC000444189169 447091695 /nfs/dbraw/zinc/09/16/95/447091695.db2.gz VCRYELPWUVMTAQ-SJLPKXTDSA-N 2 2 333.501 1.954 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000377372336 447095071 /nfs/dbraw/zinc/09/50/71/447095071.db2.gz HTIWWPXTOZSZSZ-DLBZAZTESA-N 2 2 347.507 1.806 20 0 EDADLP c1ccc(N2CC[C@H](Nc3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)[nH+]c1 ZINC000372573806 447153174 /nfs/dbraw/zinc/15/31/74/447153174.db2.gz WKURDCXTALMRDG-LSDHHAIUSA-N 2 2 340.431 2.153 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)n1C ZINC000425375225 447129197 /nfs/dbraw/zinc/12/91/97/447129197.db2.gz YYGOUCHSDSUGGC-UONOGXRCSA-N 2 2 327.432 1.267 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)n1C ZINC000425375225 447129208 /nfs/dbraw/zinc/12/92/08/447129208.db2.gz YYGOUCHSDSUGGC-UONOGXRCSA-N 2 2 327.432 1.267 20 0 EDADLP O=c1[nH]ccc2c1C[NH+](CCC[N@@H+]1CCc3cc[nH]c(=O)c3C1)CC2 ZINC000375981218 447189109 /nfs/dbraw/zinc/18/91/09/447189109.db2.gz PGKHHIDCOVZHJA-UHFFFAOYSA-N 2 2 340.427 1.694 20 0 EDADLP O=c1[nH]ccc2c1C[NH+](CCC[N@H+]1CCc3cc[nH]c(=O)c3C1)CC2 ZINC000375981218 447189120 /nfs/dbraw/zinc/18/91/20/447189120.db2.gz PGKHHIDCOVZHJA-UHFFFAOYSA-N 2 2 340.427 1.694 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000368956480 447223040 /nfs/dbraw/zinc/22/30/40/447223040.db2.gz PIBZNVWPJREMBF-OAHLLOKOSA-N 2 2 337.493 1.501 20 0 EDADLP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000368956480 447223048 /nfs/dbraw/zinc/22/30/48/447223048.db2.gz PIBZNVWPJREMBF-OAHLLOKOSA-N 2 2 337.493 1.501 20 0 EDADLP c1nnc([C@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)[nH]1 ZINC000425546015 447224164 /nfs/dbraw/zinc/22/41/64/447224164.db2.gz KGDJDYTYSXZXKG-KRWDZBQOSA-N 2 2 340.475 1.806 20 0 EDADLP c1nnc([C@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)[nH]1 ZINC000425546015 447224165 /nfs/dbraw/zinc/22/41/65/447224165.db2.gz KGDJDYTYSXZXKG-KRWDZBQOSA-N 2 2 340.475 1.806 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)[C@H](C)O1 ZINC000446071206 447227042 /nfs/dbraw/zinc/22/70/42/447227042.db2.gz IPFRELLJVSBGFZ-XLMAVXFVSA-N 2 2 333.476 1.903 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)[C@H](C)O1 ZINC000446071206 447227048 /nfs/dbraw/zinc/22/70/48/447227048.db2.gz IPFRELLJVSBGFZ-XLMAVXFVSA-N 2 2 333.476 1.903 20 0 EDADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000368964082 447227763 /nfs/dbraw/zinc/22/77/63/447227763.db2.gz DQNGGPPOACFRJH-UHFFFAOYSA-N 2 2 326.448 1.782 20 0 EDADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000368964082 447227767 /nfs/dbraw/zinc/22/77/67/447227767.db2.gz DQNGGPPOACFRJH-UHFFFAOYSA-N 2 2 326.448 1.782 20 0 EDADLP C[N@H+](C[C@H]1CCn2cc[nH+]c2C1)[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000377632829 447259070 /nfs/dbraw/zinc/25/90/70/447259070.db2.gz VUVMMJPCDVCTCC-GOEBONIOSA-N 2 2 330.407 1.613 20 0 EDADLP C[N@@H+](C[C@H]1CCn2cc[nH+]c2C1)[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000377632829 447259073 /nfs/dbraw/zinc/25/90/73/447259073.db2.gz VUVMMJPCDVCTCC-GOEBONIOSA-N 2 2 330.407 1.613 20 0 EDADLP CCc1nc(NCc2cccnc2N2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000376089530 447262002 /nfs/dbraw/zinc/26/20/02/447262002.db2.gz UZAVLTAEDNIJLM-UHFFFAOYSA-N 2 2 326.448 2.106 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413956683 447269064 /nfs/dbraw/zinc/26/90/64/447269064.db2.gz MZQKIEOOICBTJV-UHFFFAOYSA-N 2 2 331.526 1.288 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)c1ccccc1 ZINC000369023603 447269491 /nfs/dbraw/zinc/26/94/91/447269491.db2.gz USUAHBBUXGOKJC-GOSISDBHSA-N 2 2 346.475 1.089 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)c1ccccc1 ZINC000369023603 447269499 /nfs/dbraw/zinc/26/94/99/447269499.db2.gz USUAHBBUXGOKJC-GOSISDBHSA-N 2 2 346.475 1.089 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000494636720 447452772 /nfs/dbraw/zinc/45/27/72/447452772.db2.gz JKRIVFBFTASYBN-INMHGKMJSA-N 2 2 346.475 1.844 20 0 EDADLP C[C@H](C[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C)NC(=O)OC(C)(C)C ZINC000494660332 447454475 /nfs/dbraw/zinc/45/44/75/447454475.db2.gz VUHHOAPAGPWMOI-KFWWJZLASA-N 2 2 328.501 1.514 20 0 EDADLP C[C@H](C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C)NC(=O)OC(C)(C)C ZINC000494660332 447454482 /nfs/dbraw/zinc/45/44/82/447454482.db2.gz VUHHOAPAGPWMOI-KFWWJZLASA-N 2 2 328.501 1.514 20 0 EDADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000382028086 447460998 /nfs/dbraw/zinc/46/09/98/447460998.db2.gz BZFBMPNXRCUNBB-GJZGRUSLSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000382028086 447461002 /nfs/dbraw/zinc/46/10/02/447461002.db2.gz BZFBMPNXRCUNBB-GJZGRUSLSA-N 2 2 328.501 1.515 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC000495136937 447478153 /nfs/dbraw/zinc/47/81/53/447478153.db2.gz KJQQEOZZFRDKJU-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC000495136937 447478159 /nfs/dbraw/zinc/47/81/59/447478159.db2.gz KJQQEOZZFRDKJU-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP COC1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000458869414 447492551 /nfs/dbraw/zinc/49/25/51/447492551.db2.gz HAHTWASPXAYCFE-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP COC1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000458869414 447492556 /nfs/dbraw/zinc/49/25/56/447492556.db2.gz HAHTWASPXAYCFE-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1c(F)cccc1Br ZINC000394795679 447540132 /nfs/dbraw/zinc/54/01/32/447540132.db2.gz LIPPTADRCWEPAO-UHFFFAOYSA-N 2 2 330.245 1.925 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1c(F)cccc1Br ZINC000394795679 447540142 /nfs/dbraw/zinc/54/01/42/447540142.db2.gz LIPPTADRCWEPAO-UHFFFAOYSA-N 2 2 330.245 1.925 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc(C)[nH+]1 ZINC000422428840 447546936 /nfs/dbraw/zinc/54/69/36/447546936.db2.gz GFWWWYQMQZFHKA-KRWDZBQOSA-N 2 2 344.459 1.448 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc(C)[nH+]1 ZINC000422428840 447546942 /nfs/dbraw/zinc/54/69/42/447546942.db2.gz GFWWWYQMQZFHKA-KRWDZBQOSA-N 2 2 344.459 1.448 20 0 EDADLP C[NH+](C)[C@H](CC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000416236985 447546899 /nfs/dbraw/zinc/54/68/99/447546899.db2.gz APNZXWYZYMUMRA-KURKYZTESA-N 2 2 331.460 1.611 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459284844 447628262 /nfs/dbraw/zinc/62/82/62/447628262.db2.gz DYMBDBIHCKWYCZ-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459284844 447628268 /nfs/dbraw/zinc/62/82/68/447628268.db2.gz DYMBDBIHCKWYCZ-CVEARBPZSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422626030 447675275 /nfs/dbraw/zinc/67/52/75/447675275.db2.gz DCKKVKLXBSUHCQ-KFWWJZLASA-N 2 2 340.489 1.774 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422626030 447675282 /nfs/dbraw/zinc/67/52/82/447675282.db2.gz DCKKVKLXBSUHCQ-KFWWJZLASA-N 2 2 340.489 1.774 20 0 EDADLP COCC1(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC[NH2+]CC1 ZINC000420237040 447682194 /nfs/dbraw/zinc/68/21/94/447682194.db2.gz GTJFCHYDLAURAO-HNNXBMFYSA-N 2 2 349.479 1.256 20 0 EDADLP COCC1(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[NH2+]CC1 ZINC000420237040 447682199 /nfs/dbraw/zinc/68/21/99/447682199.db2.gz GTJFCHYDLAURAO-HNNXBMFYSA-N 2 2 349.479 1.256 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422642345 447686153 /nfs/dbraw/zinc/68/61/53/447686153.db2.gz ZIGXCAWKWUCKFS-QLFBSQMISA-N 2 2 340.489 1.774 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000422642345 447686157 /nfs/dbraw/zinc/68/61/57/447686157.db2.gz ZIGXCAWKWUCKFS-QLFBSQMISA-N 2 2 340.489 1.774 20 0 EDADLP COc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(OC)c1OC ZINC000422697173 447718841 /nfs/dbraw/zinc/71/88/41/447718841.db2.gz UDGSHZHRLKDSDI-JKSUJKDBSA-N 2 2 336.432 1.569 20 0 EDADLP OC[C@@]1(O)CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000459632581 447726123 /nfs/dbraw/zinc/72/61/23/447726123.db2.gz LQWOSKWTJYDDFE-RBUKOAKNSA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@@]1(O)CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000459632581 447726130 /nfs/dbraw/zinc/72/61/30/447726130.db2.gz LQWOSKWTJYDDFE-RBUKOAKNSA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@@]1(O)CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000459632581 447726137 /nfs/dbraw/zinc/72/61/37/447726137.db2.gz LQWOSKWTJYDDFE-RBUKOAKNSA-N 2 2 334.460 1.097 20 0 EDADLP OC[C@@]1(O)CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000459632581 447726143 /nfs/dbraw/zinc/72/61/43/447726143.db2.gz LQWOSKWTJYDDFE-RBUKOAKNSA-N 2 2 334.460 1.097 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000417000852 447730095 /nfs/dbraw/zinc/73/00/95/447730095.db2.gz SLCLDIPBAIEWHF-KRWDZBQOSA-N 2 2 334.464 1.277 20 0 EDADLP CCCNC(=O)CN1CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422841633 447766315 /nfs/dbraw/zinc/76/63/15/447766315.db2.gz DIYHTDOMPIGNNA-ROUUACIJSA-N 2 2 330.476 1.711 20 0 EDADLP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000422766905 447744072 /nfs/dbraw/zinc/74/40/72/447744072.db2.gz QKEFIOOIYXPTHH-RHSMWYFYSA-N 2 2 333.476 1.650 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCN[C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000422766905 447744074 /nfs/dbraw/zinc/74/40/74/447744074.db2.gz QKEFIOOIYXPTHH-RHSMWYFYSA-N 2 2 333.476 1.650 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCN[C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000422766905 447744076 /nfs/dbraw/zinc/74/40/76/447744076.db2.gz QKEFIOOIYXPTHH-RHSMWYFYSA-N 2 2 333.476 1.650 20 0 EDADLP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCOCC1 ZINC000422769422 447745464 /nfs/dbraw/zinc/74/54/64/447745464.db2.gz SWUYTXBZUFBPJO-IMFGXOCKSA-N 3 2 345.487 1.800 20 0 EDADLP Cn1nccc1[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000459707711 447746327 /nfs/dbraw/zinc/74/63/27/447746327.db2.gz JTBPMLAARAKIAM-SFHVURJKSA-N 2 2 328.460 1.750 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@H]3C[NH2+]CC[C@H]3C)c[nH+]2)CC1 ZINC000496270782 447751748 /nfs/dbraw/zinc/75/17/48/447751748.db2.gz DKVJSGFHXGRYII-HIFRSBDPSA-N 2 2 333.436 1.380 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422822880 447759704 /nfs/dbraw/zinc/75/97/04/447759704.db2.gz BRYOPVSUTZXGEN-AAEUAGOBSA-N 2 2 333.354 1.879 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422841633 447766322 /nfs/dbraw/zinc/76/63/22/447766322.db2.gz DIYHTDOMPIGNNA-ROUUACIJSA-N 2 2 330.476 1.711 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000422830755 447762815 /nfs/dbraw/zinc/76/28/15/447762815.db2.gz RSHWEHDYZAGHKO-DLBZAZTESA-N 2 2 328.416 1.315 20 0 EDADLP O=C1COc2ccccc2N1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422917255 447772671 /nfs/dbraw/zinc/77/26/71/447772671.db2.gz FRVFWHLVTRXVJR-PKOBYXMFSA-N 2 2 345.443 1.159 20 0 EDADLP COc1ccc(CN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C2CC2)cc1 ZINC000430556800 447778254 /nfs/dbraw/zinc/77/82/54/447778254.db2.gz LNIHWULHRDWRDK-IBGZPJMESA-N 2 2 331.460 1.903 20 0 EDADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000422952664 447779729 /nfs/dbraw/zinc/77/97/29/447779729.db2.gz BVVIUCHLJFXEAU-CVEARBPZSA-N 2 2 337.851 1.426 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000422958554 447780654 /nfs/dbraw/zinc/78/06/54/447780654.db2.gz PLYNBAPFLKWBPX-DOTOQJQBSA-N 2 2 331.460 1.713 20 0 EDADLP c1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)n(-c2ccccc2)n1 ZINC000423084182 447801723 /nfs/dbraw/zinc/80/17/23/447801723.db2.gz HPCGWHUFTNRLPZ-BBWFWOEESA-N 2 2 327.432 1.514 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000522892213 447862737 /nfs/dbraw/zinc/86/27/37/447862737.db2.gz FRDAFSNOYWXZPK-IBGZPJMESA-N 2 2 344.503 1.799 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000522892213 447862744 /nfs/dbraw/zinc/86/27/44/447862744.db2.gz FRDAFSNOYWXZPK-IBGZPJMESA-N 2 2 344.503 1.799 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000479759119 447824187 /nfs/dbraw/zinc/82/41/87/447824187.db2.gz ZFXYTSSDAPMUBJ-CLWVCHIJSA-N 2 2 345.443 1.175 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000479759119 447824189 /nfs/dbraw/zinc/82/41/89/447824189.db2.gz ZFXYTSSDAPMUBJ-CLWVCHIJSA-N 2 2 345.443 1.175 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496592051 447828660 /nfs/dbraw/zinc/82/86/60/447828660.db2.gz PHALGPUWBFVRCJ-OAHLLOKOSA-N 2 2 327.469 1.431 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496592051 447828661 /nfs/dbraw/zinc/82/86/61/447828661.db2.gz PHALGPUWBFVRCJ-OAHLLOKOSA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1ccco1 ZINC000522953870 447865711 /nfs/dbraw/zinc/86/57/11/447865711.db2.gz GRDLJQLIBQQIPY-CYBMUJFWSA-N 2 2 326.360 1.288 20 0 EDADLP COc1cc2[nH+]c(N[C@H]3CCn4cc[nH+]c4C3)nc(N)c2cc1OC ZINC000489938846 447880803 /nfs/dbraw/zinc/88/08/03/447880803.db2.gz PNKMKNIIRJKJSJ-JTQLQIEISA-N 2 2 340.387 1.275 20 0 EDADLP CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000530415741 447881282 /nfs/dbraw/zinc/88/12/82/447881282.db2.gz OFPWZFIRZYMAIS-UHFFFAOYSA-N 2 2 328.420 1.610 20 0 EDADLP CN1C(=O)CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802163 447900930 /nfs/dbraw/zinc/90/09/30/447900930.db2.gz GXUHOQMIECBLIF-IAGOWNOFSA-N 2 2 341.455 1.921 20 0 EDADLP CN1C(=O)CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802163 447900935 /nfs/dbraw/zinc/90/09/35/447900935.db2.gz GXUHOQMIECBLIF-IAGOWNOFSA-N 2 2 341.455 1.921 20 0 EDADLP CCc1nc(NC[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)cc(C)[nH+]1 ZINC000551920550 447913724 /nfs/dbraw/zinc/91/37/24/447913724.db2.gz ITBOSTUKAPPNPS-BLLLJJGKSA-N 2 2 328.420 1.712 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cn2ccccc2n1 ZINC000570060201 447941275 /nfs/dbraw/zinc/94/12/75/447941275.db2.gz RLZFZVRKTMILPS-RDJZCZTQSA-N 2 2 343.475 1.928 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cn2ccccc2n1 ZINC000570060201 447941278 /nfs/dbraw/zinc/94/12/78/447941278.db2.gz RLZFZVRKTMILPS-RDJZCZTQSA-N 2 2 343.475 1.928 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)cn21 ZINC000575983352 447943238 /nfs/dbraw/zinc/94/32/38/447943238.db2.gz INHAQWZGYDFFBU-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)cn21 ZINC000575983352 447943241 /nfs/dbraw/zinc/94/32/41/447943241.db2.gz INHAQWZGYDFFBU-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000497186900 447937147 /nfs/dbraw/zinc/93/71/47/447937147.db2.gz MCENTRHQUDXKNA-HUUCEWRRSA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000497186900 447937152 /nfs/dbraw/zinc/93/71/52/447937152.db2.gz MCENTRHQUDXKNA-HUUCEWRRSA-N 2 2 327.469 1.432 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H]3[C@@H](C)CC[NH2+][C@H]3C)C2=O)c1 ZINC000570308815 447984956 /nfs/dbraw/zinc/98/49/56/447984956.db2.gz DXKCZAFATDGHGO-DSIZOQBWSA-N 2 2 347.459 1.785 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000570330177 447988407 /nfs/dbraw/zinc/98/84/07/447988407.db2.gz MMGVGVARNSMFNU-CQSZACIVSA-N 2 2 344.463 1.798 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553429057 447993547 /nfs/dbraw/zinc/99/35/47/447993547.db2.gz MUFMEKDSVAFBTD-GOSISDBHSA-N 2 2 331.460 1.299 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553429057 447993551 /nfs/dbraw/zinc/99/35/51/447993551.db2.gz MUFMEKDSVAFBTD-GOSISDBHSA-N 2 2 331.460 1.299 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccccc1CN1CCCC1=O)C1CC1 ZINC000570274080 447974020 /nfs/dbraw/zinc/97/40/20/447974020.db2.gz WIYDATATHAOGEB-GOSISDBHSA-N 2 2 331.460 1.354 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1CN1CCCC1=O)C1CC1 ZINC000570274080 447974026 /nfs/dbraw/zinc/97/40/26/447974026.db2.gz WIYDATATHAOGEB-GOSISDBHSA-N 2 2 331.460 1.354 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000531140997 448026374 /nfs/dbraw/zinc/02/63/74/448026374.db2.gz MQKOAXIGATUOEH-AWEZNQCLSA-N 2 2 329.448 1.812 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000531140997 448026382 /nfs/dbraw/zinc/02/63/82/448026382.db2.gz MQKOAXIGATUOEH-AWEZNQCLSA-N 2 2 329.448 1.812 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000504111242 448108448 /nfs/dbraw/zinc/10/84/48/448108448.db2.gz PCEVISGNFWCPGJ-PMUMKWKESA-N 2 2 347.463 1.121 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000504111242 448108454 /nfs/dbraw/zinc/10/84/54/448108454.db2.gz PCEVISGNFWCPGJ-PMUMKWKESA-N 2 2 347.463 1.121 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)Cn3cc[nH+]c3)C2)CC1 ZINC000531836463 448156690 /nfs/dbraw/zinc/15/66/90/448156690.db2.gz VWNIAXSOZFGDML-IAGOWNOFSA-N 2 2 348.495 1.082 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000571277425 448124819 /nfs/dbraw/zinc/12/48/19/448124819.db2.gz HLTQBUNYYCNEOU-YYIAUSFCSA-N 2 2 326.481 1.395 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000571277425 448124822 /nfs/dbraw/zinc/12/48/22/448124822.db2.gz HLTQBUNYYCNEOU-YYIAUSFCSA-N 2 2 326.481 1.395 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000571411329 448148909 /nfs/dbraw/zinc/14/89/09/448148909.db2.gz XJPVKBMYCBVZJE-PBHICJAKSA-N 2 2 334.464 1.032 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000571411329 448148915 /nfs/dbraw/zinc/14/89/15/448148915.db2.gz XJPVKBMYCBVZJE-PBHICJAKSA-N 2 2 334.464 1.032 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000576930213 448172351 /nfs/dbraw/zinc/17/23/51/448172351.db2.gz ONEGVKSPSXNZKW-KSSFIOAISA-N 2 2 344.459 1.126 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000576930213 448172359 /nfs/dbraw/zinc/17/23/59/448172359.db2.gz ONEGVKSPSXNZKW-KSSFIOAISA-N 2 2 344.459 1.126 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000571752541 448198716 /nfs/dbraw/zinc/19/87/16/448198716.db2.gz BESRXPMPBHZVBI-PVAVHDDUSA-N 2 2 326.448 1.488 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000571752541 448198718 /nfs/dbraw/zinc/19/87/18/448198718.db2.gz BESRXPMPBHZVBI-PVAVHDDUSA-N 2 2 326.448 1.488 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000514788182 448202831 /nfs/dbraw/zinc/20/28/31/448202831.db2.gz GXDBGFXUXXUXFY-HOTGVXAUSA-N 2 2 326.412 1.266 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000514788182 448202836 /nfs/dbraw/zinc/20/28/36/448202836.db2.gz GXDBGFXUXXUXFY-HOTGVXAUSA-N 2 2 326.412 1.266 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000571772498 448204194 /nfs/dbraw/zinc/20/41/94/448204194.db2.gz ACTPLNSWULMAHA-OLZOCXBDSA-N 2 2 332.473 1.767 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCc1nc2ccccc2s1 ZINC000571772498 448204196 /nfs/dbraw/zinc/20/41/96/448204196.db2.gz ACTPLNSWULMAHA-OLZOCXBDSA-N 2 2 332.473 1.767 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514940290 448229055 /nfs/dbraw/zinc/22/90/55/448229055.db2.gz RXGCYARXUTUIDY-DNVCBOLYSA-N 2 2 331.460 1.775 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514940290 448229059 /nfs/dbraw/zinc/22/90/59/448229059.db2.gz RXGCYARXUTUIDY-DNVCBOLYSA-N 2 2 331.460 1.775 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)s1 ZINC000577192716 448232894 /nfs/dbraw/zinc/23/28/94/448232894.db2.gz SFVLULVPTBNHCV-ZJUUUORDSA-N 2 2 336.465 1.895 20 0 EDADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000582423381 448235101 /nfs/dbraw/zinc/23/51/01/448235101.db2.gz VHUFAOSBPFBXPB-BMGDILEWSA-N 2 2 330.476 1.811 20 0 EDADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000582423381 448235104 /nfs/dbraw/zinc/23/51/04/448235104.db2.gz VHUFAOSBPFBXPB-BMGDILEWSA-N 2 2 330.476 1.811 20 0 EDADLP COc1ccc(/C=C/C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000492467126 448218933 /nfs/dbraw/zinc/21/89/33/448218933.db2.gz BUVYFUVPVNWMTG-SOFGYWHQSA-N 2 2 346.475 1.588 20 0 EDADLP COc1ccc(/C=C/C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000492467126 448218935 /nfs/dbraw/zinc/21/89/35/448218935.db2.gz BUVYFUVPVNWMTG-SOFGYWHQSA-N 2 2 346.475 1.588 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000591080362 448256543 /nfs/dbraw/zinc/25/65/43/448256543.db2.gz GJUTWGSKGBUEES-KRWDZBQOSA-N 2 2 344.459 1.429 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000591080362 448256546 /nfs/dbraw/zinc/25/65/46/448256546.db2.gz GJUTWGSKGBUEES-KRWDZBQOSA-N 2 2 344.459 1.429 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3noc(C)c3C)CC2)CC1 ZINC000563859184 448316271 /nfs/dbraw/zinc/31/62/71/448316271.db2.gz HLEOFXZJGYXUKO-UHFFFAOYSA-N 2 2 349.479 2.315 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3noc(C)c3C)CC2)CC1 ZINC000563859184 448316282 /nfs/dbraw/zinc/31/62/82/448316282.db2.gz HLEOFXZJGYXUKO-UHFFFAOYSA-N 2 2 349.479 2.315 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@]3(CC[N@@H+](C)C3)C1)CCC2 ZINC000577566747 448326115 /nfs/dbraw/zinc/32/61/15/448326115.db2.gz LHUQOXBVLXBWKE-MAUKXSAKSA-N 2 2 331.464 1.806 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@]3(CC[N@H+](C)C3)C1)CCC2 ZINC000577566747 448326117 /nfs/dbraw/zinc/32/61/17/448326117.db2.gz LHUQOXBVLXBWKE-MAUKXSAKSA-N 2 2 331.464 1.806 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC000591198232 448286541 /nfs/dbraw/zinc/28/65/41/448286541.db2.gz RXVWUVWKVCAREI-UHFFFAOYSA-N 2 2 330.432 1.920 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000492779507 448289841 /nfs/dbraw/zinc/28/98/41/448289841.db2.gz VXNYFSWYSYWSEL-UTCJRWHESA-N 2 2 343.406 1.500 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)n1C ZINC000577406482 448290891 /nfs/dbraw/zinc/29/08/91/448290891.db2.gz XJKDQNNJNUGZPA-CQSZACIVSA-N 2 2 339.447 1.908 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)n1C ZINC000577406482 448290898 /nfs/dbraw/zinc/29/08/98/448290898.db2.gz XJKDQNNJNUGZPA-CQSZACIVSA-N 2 2 339.447 1.908 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000582662336 448303469 /nfs/dbraw/zinc/30/34/69/448303469.db2.gz HBIPHMVDKCXKGB-DLBZAZTESA-N 2 2 339.443 1.836 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000582662336 448303474 /nfs/dbraw/zinc/30/34/74/448303474.db2.gz HBIPHMVDKCXKGB-DLBZAZTESA-N 2 2 339.443 1.836 20 0 EDADLP CC(=O)Nc1nc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000577735115 448371877 /nfs/dbraw/zinc/37/18/77/448371877.db2.gz WAXMRXIFEYHHHX-DZGCQCFKSA-N 2 2 338.477 1.820 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1 ZINC000572381869 448365177 /nfs/dbraw/zinc/36/51/77/448365177.db2.gz PJYHKEAYROFZLF-GPMSIDNRSA-N 2 2 345.491 1.797 20 0 EDADLP OC1CC[NH+](CCC[NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527643766 448330343 /nfs/dbraw/zinc/33/03/43/448330343.db2.gz AOPOBAQZEMHCGP-UHFFFAOYSA-N 2 2 346.244 1.920 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000577831507 448396184 /nfs/dbraw/zinc/39/61/84/448396184.db2.gz SWZPKCOYYRRZQR-QGZVFWFLSA-N 2 2 335.427 1.393 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccnc(N3CCCC3)c2)C[C@@H](C)O1 ZINC000577858911 448404826 /nfs/dbraw/zinc/40/48/26/448404826.db2.gz DEOIHVRNYRGFPA-NUJGCVRESA-N 2 2 348.491 1.242 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2OC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000577868407 448408117 /nfs/dbraw/zinc/40/81/17/448408117.db2.gz RXWBCMACTHHSGM-ZDUSSCGKSA-N 2 2 345.365 1.619 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2ccccc2OC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000577868407 448408122 /nfs/dbraw/zinc/40/81/22/448408122.db2.gz RXWBCMACTHHSGM-ZDUSSCGKSA-N 2 2 345.365 1.619 20 0 EDADLP CC(C)(C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1)N1CC[NH2+]CC1 ZINC000566196110 448412499 /nfs/dbraw/zinc/41/24/99/448412499.db2.gz BSPAVNDXHVPADK-UHFFFAOYSA-N 2 2 327.432 1.377 20 0 EDADLP COc1ccc[nH+]c1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000527878595 448380211 /nfs/dbraw/zinc/38/02/11/448380211.db2.gz DQWQOBZDKWQQQX-UHFFFAOYSA-N 2 2 328.416 1.994 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000565842213 448381731 /nfs/dbraw/zinc/38/17/31/448381731.db2.gz DLNPRWVSUXXTDJ-CYBMUJFWSA-N 2 2 333.461 2.504 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000572614186 448423138 /nfs/dbraw/zinc/42/31/38/448423138.db2.gz YYOPONCSHRDQSA-YJBOKZPZSA-N 2 2 349.475 1.296 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000572614186 448423143 /nfs/dbraw/zinc/42/31/43/448423143.db2.gz YYOPONCSHRDQSA-YJBOKZPZSA-N 2 2 349.475 1.296 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000572614186 448423145 /nfs/dbraw/zinc/42/31/45/448423145.db2.gz YYOPONCSHRDQSA-YJBOKZPZSA-N 2 2 349.475 1.296 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000572614186 448423151 /nfs/dbraw/zinc/42/31/51/448423151.db2.gz YYOPONCSHRDQSA-YJBOKZPZSA-N 2 2 349.475 1.296 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866440 448426137 /nfs/dbraw/zinc/42/61/37/448426137.db2.gz GDOAGPCGJSDZLJ-TZMCWYRMSA-N 2 2 341.415 1.336 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866440 448426144 /nfs/dbraw/zinc/42/61/44/448426144.db2.gz GDOAGPCGJSDZLJ-TZMCWYRMSA-N 2 2 341.415 1.336 20 0 EDADLP Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000578065564 448452679 /nfs/dbraw/zinc/45/26/79/448452679.db2.gz RPECTAMBFFBERB-HNNXBMFYSA-N 2 2 333.436 1.882 20 0 EDADLP Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000578065564 448452682 /nfs/dbraw/zinc/45/26/82/448452682.db2.gz RPECTAMBFFBERB-HNNXBMFYSA-N 2 2 333.436 1.882 20 0 EDADLP [NH3+]C1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CCC1 ZINC000516634956 448453199 /nfs/dbraw/zinc/45/31/99/448453199.db2.gz RGBLHJNGMVPDQU-STQMWFEESA-N 2 2 340.468 1.841 20 0 EDADLP [NH3+]C1(CNC(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CCC1 ZINC000516634956 448453207 /nfs/dbraw/zinc/45/32/07/448453207.db2.gz RGBLHJNGMVPDQU-STQMWFEESA-N 2 2 340.468 1.841 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000528189986 448456048 /nfs/dbraw/zinc/45/60/48/448456048.db2.gz OZJKUDLTDYKBEP-UHFFFAOYSA-N 2 2 331.464 1.990 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000528189986 448456053 /nfs/dbraw/zinc/45/60/53/448456053.db2.gz OZJKUDLTDYKBEP-UHFFFAOYSA-N 2 2 331.464 1.990 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572855363 448482599 /nfs/dbraw/zinc/48/25/99/448482599.db2.gz NWPXTGGAQIGMSM-NJAFHUGGSA-N 2 2 346.475 1.185 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572855363 448482604 /nfs/dbraw/zinc/48/26/04/448482604.db2.gz NWPXTGGAQIGMSM-NJAFHUGGSA-N 2 2 346.475 1.185 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc2c(c1)OCCO2 ZINC000591868372 448512855 /nfs/dbraw/zinc/51/28/55/448512855.db2.gz YIHMDKZUNJZKCS-HNNXBMFYSA-N 2 2 342.399 1.930 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc2c(c1)OCCO2 ZINC000591868372 448512859 /nfs/dbraw/zinc/51/28/59/448512859.db2.gz YIHMDKZUNJZKCS-HNNXBMFYSA-N 2 2 342.399 1.930 20 0 EDADLP CCOc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000584406424 448514049 /nfs/dbraw/zinc/51/40/49/448514049.db2.gz HDWXFWPGGOAELO-GJZGRUSLSA-N 2 2 331.416 1.626 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C1 ZINC000517039088 448529856 /nfs/dbraw/zinc/52/98/56/448529856.db2.gz AVBKIFFABNZJQS-UHFFFAOYSA-N 2 2 344.459 1.200 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)Nc2ccc3c(c2)C[NH+](CC(N)=O)CC3)C1 ZINC000517039088 448529864 /nfs/dbraw/zinc/52/98/64/448529864.db2.gz AVBKIFFABNZJQS-UHFFFAOYSA-N 2 2 344.459 1.200 20 0 EDADLP CC1(C)CC[NH+](CC(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)C1 ZINC000517039088 448529866 /nfs/dbraw/zinc/52/98/66/448529866.db2.gz AVBKIFFABNZJQS-UHFFFAOYSA-N 2 2 344.459 1.200 20 0 EDADLP CC1(C)CC[NH+](CC(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)C1 ZINC000517039088 448529872 /nfs/dbraw/zinc/52/98/72/448529872.db2.gz AVBKIFFABNZJQS-UHFFFAOYSA-N 2 2 344.459 1.200 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)[C@H](C[NH3+])C1 ZINC000572941857 448500811 /nfs/dbraw/zinc/50/08/11/448500811.db2.gz HUSPUZOXGHKKES-CYBMUJFWSA-N 2 2 332.383 1.118 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2)[C@H](C[NH3+])C1 ZINC000572941857 448500816 /nfs/dbraw/zinc/50/08/16/448500816.db2.gz HUSPUZOXGHKKES-CYBMUJFWSA-N 2 2 332.383 1.118 20 0 EDADLP CCCOc1ccc2c(c1)CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C2 ZINC000578518854 448568441 /nfs/dbraw/zinc/56/84/41/448568441.db2.gz GVNNILONTBOCFL-GOSISDBHSA-N 2 2 336.476 1.773 20 0 EDADLP CCCOc1ccc2c(c1)CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C2 ZINC000578518854 448568448 /nfs/dbraw/zinc/56/84/48/448568448.db2.gz GVNNILONTBOCFL-GOSISDBHSA-N 2 2 336.476 1.773 20 0 EDADLP CCCOc1ccc2c(c1)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C2 ZINC000578518854 448568457 /nfs/dbraw/zinc/56/84/57/448568457.db2.gz GVNNILONTBOCFL-GOSISDBHSA-N 2 2 336.476 1.773 20 0 EDADLP CCCOc1ccc2c(c1)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C2 ZINC000578518854 448568463 /nfs/dbraw/zinc/56/84/63/448568463.db2.gz GVNNILONTBOCFL-GOSISDBHSA-N 2 2 336.476 1.773 20 0 EDADLP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000573377917 448612532 /nfs/dbraw/zinc/61/25/32/448612532.db2.gz ZCDKYYVIUDZKEF-OWQGQXMQSA-N 2 2 349.475 1.003 20 0 EDADLP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000573377917 448612538 /nfs/dbraw/zinc/61/25/38/448612538.db2.gz ZCDKYYVIUDZKEF-OWQGQXMQSA-N 2 2 349.475 1.003 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000528646028 448618187 /nfs/dbraw/zinc/61/81/87/448618187.db2.gz REHANNWKZVINFG-WMZOPIPTSA-N 2 2 342.443 1.597 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000528646028 448618196 /nfs/dbraw/zinc/61/81/96/448618196.db2.gz REHANNWKZVINFG-WMZOPIPTSA-N 2 2 342.443 1.597 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1C ZINC000573430056 448623518 /nfs/dbraw/zinc/62/35/18/448623518.db2.gz ZRYATIHZMRUVRQ-RISCZKNCSA-N 2 2 343.431 1.419 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)ccc2n1C ZINC000573430056 448623523 /nfs/dbraw/zinc/62/35/23/448623523.db2.gz ZRYATIHZMRUVRQ-RISCZKNCSA-N 2 2 343.431 1.419 20 0 EDADLP O=C1NCCC[C@@H]1C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000573302698 448590046 /nfs/dbraw/zinc/59/00/46/448590046.db2.gz YQCOOSHKQHVFAW-CVEARBPZSA-N 2 2 344.459 1.661 20 0 EDADLP O=C1NCCC[C@@H]1C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000573302698 448590055 /nfs/dbraw/zinc/59/00/55/448590055.db2.gz YQCOOSHKQHVFAW-CVEARBPZSA-N 2 2 344.459 1.661 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000573318351 448596836 /nfs/dbraw/zinc/59/68/36/448596836.db2.gz XFMNKCGQSWPYNL-SCRDCRAPSA-N 2 2 346.393 1.706 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC000573318351 448596843 /nfs/dbraw/zinc/59/68/43/448596843.db2.gz XFMNKCGQSWPYNL-SCRDCRAPSA-N 2 2 346.393 1.706 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](CO)CC(F)(F)F)c2cc1C ZINC000573444815 448629202 /nfs/dbraw/zinc/62/92/02/448629202.db2.gz GDPAAXFGWRVBTF-STQMWFEESA-N 2 2 345.365 1.917 20 0 EDADLP COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000573714286 448697192 /nfs/dbraw/zinc/69/71/92/448697192.db2.gz UFDJOYBDEIODKT-STQMWFEESA-N 2 2 347.415 1.314 20 0 EDADLP COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000573714286 448697195 /nfs/dbraw/zinc/69/71/95/448697195.db2.gz UFDJOYBDEIODKT-STQMWFEESA-N 2 2 347.415 1.314 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000528905808 448708013 /nfs/dbraw/zinc/70/80/13/448708013.db2.gz JKIFIWKTCIMWPT-XVONYKPUSA-N 2 2 349.519 1.815 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000528905808 448708019 /nfs/dbraw/zinc/70/80/19/448708019.db2.gz JKIFIWKTCIMWPT-XVONYKPUSA-N 2 2 349.519 1.815 20 0 EDADLP COc1ccc(CCCCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000573800091 448716627 /nfs/dbraw/zinc/71/66/27/448716627.db2.gz UDEZVUHLEVXCAI-KRWDZBQOSA-N 2 2 333.476 1.899 20 0 EDADLP COc1ccc(CCCCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000573800091 448716633 /nfs/dbraw/zinc/71/66/33/448716633.db2.gz UDEZVUHLEVXCAI-KRWDZBQOSA-N 2 2 333.476 1.899 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000518488621 448684095 /nfs/dbraw/zinc/68/40/95/448684095.db2.gz OSJCBKYFUZJTIF-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000518488621 448684101 /nfs/dbraw/zinc/68/41/01/448684101.db2.gz OSJCBKYFUZJTIF-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c(C)c1 ZINC000519400511 448765704 /nfs/dbraw/zinc/76/57/04/448765704.db2.gz FYQHCEOLDOODFX-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)c(C)c1 ZINC000519400511 448765706 /nfs/dbraw/zinc/76/57/06/448765706.db2.gz FYQHCEOLDOODFX-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000519634366 448807331 /nfs/dbraw/zinc/80/73/31/448807331.db2.gz NVYHCJMWDFGCMB-QLFBSQMISA-N 2 2 337.489 1.850 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000519634366 448807336 /nfs/dbraw/zinc/80/73/36/448807336.db2.gz NVYHCJMWDFGCMB-QLFBSQMISA-N 2 2 337.489 1.850 20 0 EDADLP CCN1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000579511495 448812847 /nfs/dbraw/zinc/81/28/47/448812847.db2.gz IVVZBCQHZDQLCF-JKSUJKDBSA-N 2 2 333.480 1.879 20 0 EDADLP CCN1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000579511495 448812852 /nfs/dbraw/zinc/81/28/52/448812852.db2.gz IVVZBCQHZDQLCF-JKSUJKDBSA-N 2 2 333.480 1.879 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CCCO1 ZINC000579351731 448774844 /nfs/dbraw/zinc/77/48/44/448774844.db2.gz CYYGQEMJVKZNLR-QGZVFWFLSA-N 2 2 328.416 1.050 20 0 EDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000574188361 448813766 /nfs/dbraw/zinc/81/37/66/448813766.db2.gz DSSNLOYJLHRETK-GXTWGEPZSA-N 2 2 345.896 1.657 20 0 EDADLP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000519805668 448847238 /nfs/dbraw/zinc/84/72/38/448847238.db2.gz ASJNAFLAYZVKGN-CQSZACIVSA-N 2 2 326.462 1.042 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000588101631 448872452 /nfs/dbraw/zinc/87/24/52/448872452.db2.gz OXZQCIVLGYOHPH-AWEZNQCLSA-N 2 2 326.404 1.363 20 0 EDADLP Cc1ccc(-c2ncco2)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574424437 448872586 /nfs/dbraw/zinc/87/25/86/448872586.db2.gz YEKLMTVDFQFJKN-AWEZNQCLSA-N 2 2 329.404 1.757 20 0 EDADLP Cc1ccc(-c2ncco2)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574424437 448872591 /nfs/dbraw/zinc/87/25/91/448872591.db2.gz YEKLMTVDFQFJKN-AWEZNQCLSA-N 2 2 329.404 1.757 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)CC[C@H]1[NH3+] ZINC000592489430 448859086 /nfs/dbraw/zinc/85/90/86/448859086.db2.gz VPNXLUHTQPNTFI-DZGCQCFKSA-N 2 2 333.432 1.779 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)CC[C@H]1[NH3+] ZINC000592489430 448859090 /nfs/dbraw/zinc/85/90/90/448859090.db2.gz VPNXLUHTQPNTFI-DZGCQCFKSA-N 2 2 333.432 1.779 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000592489202 448859325 /nfs/dbraw/zinc/85/93/25/448859325.db2.gz SSEQRZJSQIBAEH-IMJJTQAJSA-N 2 2 332.448 1.460 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000592489202 448859328 /nfs/dbraw/zinc/85/93/28/448859328.db2.gz SSEQRZJSQIBAEH-IMJJTQAJSA-N 2 2 332.448 1.460 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)CCN2C1=O ZINC000579860339 448899931 /nfs/dbraw/zinc/89/99/31/448899931.db2.gz DEODDSQIVLKWNA-ZFWWWQNUSA-N 2 2 334.489 1.935 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cnc(C4CCCCC4)s3)CCN2C1=O ZINC000579860339 448899937 /nfs/dbraw/zinc/89/99/37/448899937.db2.gz DEODDSQIVLKWNA-ZFWWWQNUSA-N 2 2 334.489 1.935 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000579907704 448904667 /nfs/dbraw/zinc/90/46/67/448904667.db2.gz VRKXHTHFALECNB-HOTGVXAUSA-N 2 2 341.459 1.840 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547673985 448912310 /nfs/dbraw/zinc/91/23/10/448912310.db2.gz FKZXEASIAAZKAH-IRXDYDNUSA-N 2 2 341.459 1.670 20 0 EDADLP C[C@@H](c1nccc(N)n1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000520833236 448936592 /nfs/dbraw/zinc/93/65/92/448936592.db2.gz ROZOIVMBQYHGSS-HNNXBMFYSA-N 2 2 333.480 1.944 20 0 EDADLP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000574686519 448931568 /nfs/dbraw/zinc/93/15/68/448931568.db2.gz WHRWBHNVPNSFKA-JQHSSLGASA-N 2 2 332.444 1.337 20 0 EDADLP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000574686519 448931572 /nfs/dbraw/zinc/93/15/72/448931572.db2.gz WHRWBHNVPNSFKA-JQHSSLGASA-N 2 2 332.444 1.337 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[NH+]1CCOCC1 ZINC000588275099 448891700 /nfs/dbraw/zinc/89/17/00/448891700.db2.gz UCTWVIZXDIURIU-MRXNPFEDSA-N 2 2 349.479 1.656 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009989 448964458 /nfs/dbraw/zinc/96/44/58/448964458.db2.gz AFLXTAQWCVPLIS-CYBMUJFWSA-N 2 2 347.463 1.633 20 0 EDADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548009989 448964464 /nfs/dbraw/zinc/96/44/64/448964464.db2.gz AFLXTAQWCVPLIS-CYBMUJFWSA-N 2 2 347.463 1.633 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC000529837659 448979813 /nfs/dbraw/zinc/97/98/13/448979813.db2.gz UNDNPNFREYIWNY-KRWDZBQOSA-N 2 2 342.443 1.752 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC000529837659 448979817 /nfs/dbraw/zinc/97/98/17/448979817.db2.gz UNDNPNFREYIWNY-KRWDZBQOSA-N 2 2 342.443 1.752 20 0 EDADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000521432111 448985535 /nfs/dbraw/zinc/98/55/35/448985535.db2.gz MRHRZKLDWMAIEJ-UHFFFAOYSA-N 2 2 333.476 1.865 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000521432111 448985542 /nfs/dbraw/zinc/98/55/42/448985542.db2.gz MRHRZKLDWMAIEJ-UHFFFAOYSA-N 2 2 333.476 1.865 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCOC3(CCCC3)C2)C[C@H](C)O1 ZINC000574983149 449004719 /nfs/dbraw/zinc/00/47/19/449004719.db2.gz ZVIDSAVRYFEEDE-YYIAUSFCSA-N 2 2 326.481 1.538 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCOC3(CCCC3)C2)C[C@H](C)O1 ZINC000574983149 449004724 /nfs/dbraw/zinc/00/47/24/449004724.db2.gz ZVIDSAVRYFEEDE-YYIAUSFCSA-N 2 2 326.481 1.538 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](Cc4cnccn4)CC3)C2)cc1 ZINC000582107986 449011414 /nfs/dbraw/zinc/01/14/14/449011414.db2.gz XKGBQOGBDCVPSK-FQEVSTJZSA-N 2 2 337.471 1.869 20 0 EDADLP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](Cc4cnccn4)CC3)C2)cc1 ZINC000582107986 449011420 /nfs/dbraw/zinc/01/14/20/449011420.db2.gz XKGBQOGBDCVPSK-FQEVSTJZSA-N 2 2 337.471 1.869 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000569366830 449015491 /nfs/dbraw/zinc/01/54/91/449015491.db2.gz MYYLKHBAEKWGPM-DLBZAZTESA-N 2 2 326.444 1.735 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000530025185 449028782 /nfs/dbraw/zinc/02/87/82/449028782.db2.gz PHRWYQOIWBWKOO-CQSZACIVSA-N 2 2 326.404 1.409 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000530025185 449028786 /nfs/dbraw/zinc/02/87/86/449028786.db2.gz PHRWYQOIWBWKOO-CQSZACIVSA-N 2 2 326.404 1.409 20 0 EDADLP CO[C@@H](C[NH3+])CC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000582182201 449031615 /nfs/dbraw/zinc/03/16/15/449031615.db2.gz ZNZRAUCHGXYCMK-MRXNPFEDSA-N 2 2 342.443 1.374 20 0 EDADLP CC(=O)N(c1nc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cs1)C1CC1 ZINC000548640939 449070888 /nfs/dbraw/zinc/07/08/88/449070888.db2.gz SQUXEAJEQUIJSP-LBPRGKRZSA-N 2 2 331.445 1.960 20 0 EDADLP Cc1ccccc1OCCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530224099 449085694 /nfs/dbraw/zinc/08/56/94/449085694.db2.gz RGZHQSJBNNLCRI-UHFFFAOYSA-N 2 2 346.475 1.407 20 0 EDADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000575156000 449050514 /nfs/dbraw/zinc/05/05/14/449050514.db2.gz YHZALOYQADUYBW-HOCLYGCPSA-N 2 2 331.464 1.869 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000575192971 449059192 /nfs/dbraw/zinc/05/91/92/449059192.db2.gz SRIFCVNWFGSEHV-SJORKVTESA-N 2 2 342.430 1.911 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000575192971 449059195 /nfs/dbraw/zinc/05/91/95/449059195.db2.gz SRIFCVNWFGSEHV-SJORKVTESA-N 2 2 342.430 1.911 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000575192971 449059197 /nfs/dbraw/zinc/05/91/97/449059197.db2.gz SRIFCVNWFGSEHV-SJORKVTESA-N 2 2 342.430 1.911 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000575192971 449059200 /nfs/dbraw/zinc/05/92/00/449059200.db2.gz SRIFCVNWFGSEHV-SJORKVTESA-N 2 2 342.430 1.911 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000603933882 449161249 /nfs/dbraw/zinc/16/12/49/449161249.db2.gz XXWPJZCJDUDKMG-KRWDZBQOSA-N 3 2 333.480 1.509 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000603933882 449161252 /nfs/dbraw/zinc/16/12/52/449161252.db2.gz XXWPJZCJDUDKMG-KRWDZBQOSA-N 3 2 333.480 1.509 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000604295708 449202121 /nfs/dbraw/zinc/20/21/21/449202121.db2.gz BTIRICNAFWUROG-SJORKVTESA-N 2 2 336.480 1.917 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000604295708 449202127 /nfs/dbraw/zinc/20/21/27/449202127.db2.gz BTIRICNAFWUROG-SJORKVTESA-N 2 2 336.480 1.917 20 0 EDADLP C[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C)CC1 ZINC000604374879 449218099 /nfs/dbraw/zinc/21/80/99/449218099.db2.gz YXXUOPIOACSHBR-OAHLLOKOSA-N 2 2 327.432 1.124 20 0 EDADLP C[C@@H](c1ccccn1)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207687 449192960 /nfs/dbraw/zinc/19/29/60/449192960.db2.gz ADBQOKCLHTXCEE-JKSUJKDBSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](c1ccccn1)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207687 449192966 /nfs/dbraw/zinc/19/29/66/449192966.db2.gz ADBQOKCLHTXCEE-JKSUJKDBSA-N 2 2 345.491 1.953 20 0 EDADLP Cn1nc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c2ccccc21 ZINC000604418409 449227404 /nfs/dbraw/zinc/22/74/04/449227404.db2.gz WVSGWEOAQKUCRT-INIZCTEOSA-N 2 2 343.475 1.069 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000602106452 449350034 /nfs/dbraw/zinc/35/00/34/449350034.db2.gz JAZAKEAPBXSQNN-GDBMZVCRSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000602106452 449350037 /nfs/dbraw/zinc/35/00/37/449350037.db2.gz JAZAKEAPBXSQNN-GDBMZVCRSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC000602128398 449367018 /nfs/dbraw/zinc/36/70/18/449367018.db2.gz DFIUFENBEDAANP-AWEZNQCLSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC000602128398 449367024 /nfs/dbraw/zinc/36/70/24/449367024.db2.gz DFIUFENBEDAANP-AWEZNQCLSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC000602128398 449367028 /nfs/dbraw/zinc/36/70/28/449367028.db2.gz DFIUFENBEDAANP-AWEZNQCLSA-N 2 2 327.469 1.060 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC000602128398 449367033 /nfs/dbraw/zinc/36/70/33/449367033.db2.gz DFIUFENBEDAANP-AWEZNQCLSA-N 2 2 327.469 1.060 20 0 EDADLP Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602204697 449431604 /nfs/dbraw/zinc/43/16/04/449431604.db2.gz WXTVVUQFZCFORL-DLBZAZTESA-N 2 2 347.507 1.736 20 0 EDADLP Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602204697 449431607 /nfs/dbraw/zinc/43/16/07/449431607.db2.gz WXTVVUQFZCFORL-DLBZAZTESA-N 2 2 347.507 1.736 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000606581877 449490273 /nfs/dbraw/zinc/49/02/73/449490273.db2.gz URFHYXFRHWHLHP-OKILXGFUSA-N 2 2 331.420 1.955 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000606581877 449490275 /nfs/dbraw/zinc/49/02/75/449490275.db2.gz URFHYXFRHWHLHP-OKILXGFUSA-N 2 2 331.420 1.955 20 0 EDADLP O=C(NCC12CCC[NH+]1CCC2)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000614227297 449515872 /nfs/dbraw/zinc/51/58/72/449515872.db2.gz YZCOQZMMJZYODK-QGZVFWFLSA-N 2 2 328.460 1.791 20 0 EDADLP O=C(NCC12CCC[NH+]1CCC2)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000614227297 449515876 /nfs/dbraw/zinc/51/58/76/449515876.db2.gz YZCOQZMMJZYODK-QGZVFWFLSA-N 2 2 328.460 1.791 20 0 EDADLP CC[C@H](C(=O)N1CCC[NH+](C)C[C@H]1CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000614341745 449566827 /nfs/dbraw/zinc/56/68/27/449566827.db2.gz KNJWWQBJFQFKNB-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CCC[NH+](C)C[C@H]1CC)[N@H+]1CCO[C@H](CC)C1 ZINC000614341745 449566833 /nfs/dbraw/zinc/56/68/33/449566833.db2.gz KNJWWQBJFQFKNB-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@H+](C)C[C@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000614341745 449566839 /nfs/dbraw/zinc/56/68/39/449566839.db2.gz KNJWWQBJFQFKNB-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CCC[N@@H+](C)C[C@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000614341745 449566848 /nfs/dbraw/zinc/56/68/48/449566848.db2.gz KNJWWQBJFQFKNB-BRWVUGGUSA-N 2 2 325.497 1.819 20 0 EDADLP COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602436520 449584920 /nfs/dbraw/zinc/58/49/20/449584920.db2.gz PMCJTLZIJFWELT-SFHVURJKSA-N 2 2 348.443 1.535 20 0 EDADLP COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000602436520 449584928 /nfs/dbraw/zinc/58/49/28/449584928.db2.gz PMCJTLZIJFWELT-SFHVURJKSA-N 2 2 348.443 1.535 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000594738990 449659857 /nfs/dbraw/zinc/65/98/57/449659857.db2.gz QQIPFXOHNKNZIA-MRXNPFEDSA-N 2 2 332.448 1.577 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000594738990 449659859 /nfs/dbraw/zinc/65/98/59/449659859.db2.gz QQIPFXOHNKNZIA-MRXNPFEDSA-N 2 2 332.448 1.577 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCC3([NH3+])CCOCC3)cn2c1 ZINC000602539646 449661256 /nfs/dbraw/zinc/66/12/56/449661256.db2.gz UBLGIAAXKYRMEA-UHFFFAOYSA-N 2 2 348.472 1.500 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c1C ZINC000598963977 449672663 /nfs/dbraw/zinc/67/26/63/449672663.db2.gz DRJZLLUSVDUTQV-ZDUSSCGKSA-N 2 2 337.464 1.866 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)on1 ZINC000602570554 449680801 /nfs/dbraw/zinc/68/08/01/449680801.db2.gz CLRSEMAPRWVZJR-UHFFFAOYSA-N 2 2 325.409 1.440 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000599007481 449694467 /nfs/dbraw/zinc/69/44/67/449694467.db2.gz LMUFCVDWFMPNCX-RDJZCZTQSA-N 2 2 347.459 1.481 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000599007481 449694472 /nfs/dbraw/zinc/69/44/72/449694472.db2.gz LMUFCVDWFMPNCX-RDJZCZTQSA-N 2 2 347.459 1.481 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1 ZINC000614664385 449748454 /nfs/dbraw/zinc/74/84/54/449748454.db2.gz UBCPPLCULHLQFA-QLFBSQMISA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1CCC[NH+](Cc2ncon2)C1 ZINC000614664385 449748459 /nfs/dbraw/zinc/74/84/59/449748459.db2.gz UBCPPLCULHLQFA-QLFBSQMISA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000614664385 449748466 /nfs/dbraw/zinc/74/84/66/449748466.db2.gz UBCPPLCULHLQFA-QLFBSQMISA-N 2 2 335.452 1.271 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614664385 449748471 /nfs/dbraw/zinc/74/84/71/449748471.db2.gz UBCPPLCULHLQFA-QLFBSQMISA-N 2 2 335.452 1.271 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617703747 449752010 /nfs/dbraw/zinc/75/20/10/449752010.db2.gz NRUSEPFNAALLMZ-INIZCTEOSA-N 2 2 328.416 1.144 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617703747 449752013 /nfs/dbraw/zinc/75/20/13/449752013.db2.gz NRUSEPFNAALLMZ-INIZCTEOSA-N 2 2 328.416 1.144 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617703747 449752015 /nfs/dbraw/zinc/75/20/15/449752015.db2.gz NRUSEPFNAALLMZ-INIZCTEOSA-N 2 2 328.416 1.144 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617703747 449752016 /nfs/dbraw/zinc/75/20/16/449752016.db2.gz NRUSEPFNAALLMZ-INIZCTEOSA-N 2 2 328.416 1.144 20 0 EDADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000594924567 449809012 /nfs/dbraw/zinc/80/90/12/449809012.db2.gz JJECSRYPEQHSMJ-RYQLBKOJSA-N 3 2 346.475 1.381 20 0 EDADLP CN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601310866 449821070 /nfs/dbraw/zinc/82/10/70/449821070.db2.gz WCSGHAAOGHJQBS-LBPRGKRZSA-N 2 2 345.369 1.824 20 0 EDADLP CN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000601310866 449821074 /nfs/dbraw/zinc/82/10/74/449821074.db2.gz WCSGHAAOGHJQBS-LBPRGKRZSA-N 2 2 345.369 1.824 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC000617764377 449824639 /nfs/dbraw/zinc/82/46/39/449824639.db2.gz UJHXPDTWBNOUCB-SFHVURJKSA-N 2 2 332.492 1.655 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1c1ccccc1 ZINC000617764377 449824644 /nfs/dbraw/zinc/82/46/44/449824644.db2.gz UJHXPDTWBNOUCB-SFHVURJKSA-N 2 2 332.492 1.655 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000617765882 449826319 /nfs/dbraw/zinc/82/63/19/449826319.db2.gz UNPPERBUYHQYTK-UHFFFAOYSA-N 2 2 349.475 1.719 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(c1O)OC(C)(C)C2 ZINC000617765882 449826325 /nfs/dbraw/zinc/82/63/25/449826325.db2.gz UNPPERBUYHQYTK-UHFFFAOYSA-N 2 2 349.475 1.719 20 0 EDADLP C[C@H](C(=O)NCC[NH+](C)CCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000617766618 449829504 /nfs/dbraw/zinc/82/95/04/449829504.db2.gz RCEZGQOBGQLBHG-QGZVFWFLSA-N 3 2 346.519 1.433 20 0 EDADLP C[C@H](C(=O)NCC[NH+](C)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000617766618 449829508 /nfs/dbraw/zinc/82/95/08/449829508.db2.gz RCEZGQOBGQLBHG-QGZVFWFLSA-N 3 2 346.519 1.433 20 0 EDADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCc2ccccc2C1 ZINC000617766618 449829512 /nfs/dbraw/zinc/82/95/12/449829512.db2.gz RCEZGQOBGQLBHG-QGZVFWFLSA-N 3 2 346.519 1.433 20 0 EDADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCc2ccccc2C1 ZINC000617766618 449829515 /nfs/dbraw/zinc/82/95/15/449829515.db2.gz RCEZGQOBGQLBHG-QGZVFWFLSA-N 3 2 346.519 1.433 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2cccnc2)on1 ZINC000617767494 449831520 /nfs/dbraw/zinc/83/15/20/449831520.db2.gz YADGNBPGPBAYQN-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2cccnc2)on1 ZINC000617767494 449831526 /nfs/dbraw/zinc/83/15/26/449831526.db2.gz YADGNBPGPBAYQN-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000617735029 449795995 /nfs/dbraw/zinc/79/59/95/449795995.db2.gz KQTUBMAAGALHKA-CABCVRRESA-N 2 2 337.464 1.960 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000617735029 449795996 /nfs/dbraw/zinc/79/59/96/449795996.db2.gz KQTUBMAAGALHKA-CABCVRRESA-N 2 2 337.464 1.960 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)ccc2n1C ZINC000608514735 449863329 /nfs/dbraw/zinc/86/33/29/449863329.db2.gz WZULUSALJCZYEY-UHFFFAOYSA-N 2 2 343.431 1.373 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000595098800 449868135 /nfs/dbraw/zinc/86/81/35/449868135.db2.gz IETGGHBASHVYQJ-CTWPCTMYSA-N 2 2 345.487 1.734 20 0 EDADLP COC(=O)CC1CC([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000595098800 449868142 /nfs/dbraw/zinc/86/81/42/449868142.db2.gz IETGGHBASHVYQJ-CTWPCTMYSA-N 2 2 345.487 1.734 20 0 EDADLP COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000599591895 450090631 /nfs/dbraw/zinc/09/06/31/450090631.db2.gz SJWCPKXWGCCRSX-HUUCEWRRSA-N 2 2 337.420 1.398 20 0 EDADLP COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000599591895 450090636 /nfs/dbraw/zinc/09/06/36/450090636.db2.gz SJWCPKXWGCCRSX-HUUCEWRRSA-N 2 2 337.420 1.398 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615443132 450099769 /nfs/dbraw/zinc/09/97/69/450099769.db2.gz AIJHMPLPXUNQOM-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615443132 450099776 /nfs/dbraw/zinc/09/97/76/450099776.db2.gz AIJHMPLPXUNQOM-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3([NH+](C)C)CC3)cc2)CC1 ZINC000613287941 450119717 /nfs/dbraw/zinc/11/97/17/450119717.db2.gz JXEIDNZQXTVUCD-UHFFFAOYSA-N 2 2 344.459 1.383 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@@]2(CC[NH+](C)C2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000615605146 450161893 /nfs/dbraw/zinc/16/18/93/450161893.db2.gz TUKLXFWSCFSDLW-AOIWGVFYSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@@]2(CC[NH+](C)C2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000615605146 450161897 /nfs/dbraw/zinc/16/18/97/450161897.db2.gz TUKLXFWSCFSDLW-AOIWGVFYSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)[NH+]1CCO[C@H](CC)C1 ZINC000615605146 450161901 /nfs/dbraw/zinc/16/19/01/450161901.db2.gz TUKLXFWSCFSDLW-AOIWGVFYSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)[NH+]1CCO[C@H](CC)C1 ZINC000615605146 450161905 /nfs/dbraw/zinc/16/19/05/450161905.db2.gz TUKLXFWSCFSDLW-AOIWGVFYSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+](CC)CCSCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597710964 450214425 /nfs/dbraw/zinc/21/44/25/450214425.db2.gz YVTKOUKLAAZFDG-INIZCTEOSA-N 2 2 343.537 1.385 20 0 EDADLP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000619967699 450386010 /nfs/dbraw/zinc/38/60/10/450386010.db2.gz SLMFMVQUFYASLN-ARFHVFGLSA-N 2 2 344.459 1.205 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC1(C)COC1 ZINC000625791311 450508485 /nfs/dbraw/zinc/50/84/85/450508485.db2.gz IGRNLSJDDQREIC-UHFFFAOYSA-N 2 2 337.489 1.361 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC1(C)COC1 ZINC000625791311 450508487 /nfs/dbraw/zinc/50/84/87/450508487.db2.gz IGRNLSJDDQREIC-UHFFFAOYSA-N 2 2 337.489 1.361 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000623411071 450517785 /nfs/dbraw/zinc/51/77/85/450517785.db2.gz RQNWJVYGNGOHAX-HNNXBMFYSA-N 2 2 333.480 1.793 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000623411071 450517787 /nfs/dbraw/zinc/51/77/87/450517787.db2.gz RQNWJVYGNGOHAX-HNNXBMFYSA-N 2 2 333.480 1.793 20 0 EDADLP C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1[nH+]ccn1C ZINC000620597193 450518885 /nfs/dbraw/zinc/51/88/85/450518885.db2.gz XRMCDSCKNMONBG-ZDUSSCGKSA-N 2 2 328.420 1.058 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623465896 450525958 /nfs/dbraw/zinc/52/59/58/450525958.db2.gz IKALOKRUZMNVIH-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623465896 450525960 /nfs/dbraw/zinc/52/59/60/450525960.db2.gz IKALOKRUZMNVIH-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623465896 450525963 /nfs/dbraw/zinc/52/59/63/450525963.db2.gz IKALOKRUZMNVIH-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623465896 450525965 /nfs/dbraw/zinc/52/59/65/450525965.db2.gz IKALOKRUZMNVIH-HOTGVXAUSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H](C)Cn2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000623477575 450528444 /nfs/dbraw/zinc/52/84/44/450528444.db2.gz LZNOLWARTCFQRJ-AWEZNQCLSA-N 2 2 345.451 1.905 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000623631988 450555370 /nfs/dbraw/zinc/55/53/70/450555370.db2.gz DNCTVYXNGCFGCV-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000623631988 450555371 /nfs/dbraw/zinc/55/53/71/450555371.db2.gz DNCTVYXNGCFGCV-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623631988 450555372 /nfs/dbraw/zinc/55/53/72/450555372.db2.gz DNCTVYXNGCFGCV-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000623631988 450555373 /nfs/dbraw/zinc/55/53/73/450555373.db2.gz DNCTVYXNGCFGCV-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000626023996 450555604 /nfs/dbraw/zinc/55/56/04/450555604.db2.gz YHCISMPPDOJDPO-BBWFWOEESA-N 2 2 348.491 1.760 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000626023996 450555606 /nfs/dbraw/zinc/55/56/06/450555606.db2.gz YHCISMPPDOJDPO-BBWFWOEESA-N 2 2 348.491 1.760 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000623639215 450557518 /nfs/dbraw/zinc/55/75/18/450557518.db2.gz HDWHFKOSHDDYDZ-JRBZFYFNSA-N 2 2 338.496 1.266 20 0 EDADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000623639215 450557520 /nfs/dbraw/zinc/55/75/20/450557520.db2.gz HDWHFKOSHDDYDZ-JRBZFYFNSA-N 2 2 338.496 1.266 20 0 EDADLP O[C@@H]1CCN(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759259 450579185 /nfs/dbraw/zinc/57/91/85/450579185.db2.gz DYMHPMZBMGUUIF-RTBURBONSA-N 2 2 329.488 1.840 20 0 EDADLP O[C@@H]1CCN(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759259 450579188 /nfs/dbraw/zinc/57/91/88/450579188.db2.gz DYMHPMZBMGUUIF-RTBURBONSA-N 2 2 329.488 1.840 20 0 EDADLP C/C=C\C[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000626160528 450593545 /nfs/dbraw/zinc/59/35/45/450593545.db2.gz JZBGSWXSANGHOK-CHYADLBTSA-N 2 2 337.508 1.892 20 0 EDADLP C/C=C\C[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000626160528 450593549 /nfs/dbraw/zinc/59/35/49/450593549.db2.gz JZBGSWXSANGHOK-CHYADLBTSA-N 2 2 337.508 1.892 20 0 EDADLP COC[C@@]1(C)C[NH+](C[C@H](C)C[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626175311 450608997 /nfs/dbraw/zinc/60/89/97/450608997.db2.gz LZGZCHFNZUHTOI-BCDXTJNWSA-N 2 2 344.496 1.097 20 0 EDADLP COC[C@@]1(C)C[NH+](C[C@H](C)C[N@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626175311 450609003 /nfs/dbraw/zinc/60/90/03/450609003.db2.gz LZGZCHFNZUHTOI-BCDXTJNWSA-N 2 2 344.496 1.097 20 0 EDADLP COC[C@@]1(C)C[N@H+](C[C@H](C)C[NH+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626175311 450609008 /nfs/dbraw/zinc/60/90/08/450609008.db2.gz LZGZCHFNZUHTOI-BCDXTJNWSA-N 2 2 344.496 1.097 20 0 EDADLP COC[C@@]1(C)C[N@@H+](C[C@H](C)C[NH+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626175311 450609015 /nfs/dbraw/zinc/60/90/15/450609015.db2.gz LZGZCHFNZUHTOI-BCDXTJNWSA-N 2 2 344.496 1.097 20 0 EDADLP O[C@H]1CCN(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623838051 450611064 /nfs/dbraw/zinc/61/10/64/450611064.db2.gz DYMHPMZBMGUUIF-OALUTQOASA-N 2 2 329.488 1.840 20 0 EDADLP O[C@H]1CCN(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623838051 450611067 /nfs/dbraw/zinc/61/10/67/450611067.db2.gz DYMHPMZBMGUUIF-OALUTQOASA-N 2 2 329.488 1.840 20 0 EDADLP C[NH+]1CCC(CNC(=O)CC2CSC2)([NH+]2CCCCC2)CC1 ZINC000631530106 450637475 /nfs/dbraw/zinc/63/74/75/450637475.db2.gz MNNFHKWUTMOCMI-UHFFFAOYSA-N 2 2 325.522 1.806 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2 ZINC000626267916 450654545 /nfs/dbraw/zinc/65/45/45/450654545.db2.gz AERILDKQHQVFQR-DLBZAZTESA-N 2 2 330.476 1.944 20 0 EDADLP CS(=O)(=O)N1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000624077518 450696820 /nfs/dbraw/zinc/69/68/20/450696820.db2.gz QLRGWLLUKYNQML-MRXNPFEDSA-N 2 2 329.510 1.407 20 0 EDADLP CS(=O)(=O)N1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000624077518 450696826 /nfs/dbraw/zinc/69/68/26/450696826.db2.gz QLRGWLLUKYNQML-MRXNPFEDSA-N 2 2 329.510 1.407 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629542953 450729089 /nfs/dbraw/zinc/72/90/89/450729089.db2.gz PZICLQFSFBLQNQ-MELADBBJSA-N 2 2 325.478 1.742 20 0 EDADLP COc1cccc([C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)c2[nH+]ccn2C)c1 ZINC000635171349 450716479 /nfs/dbraw/zinc/71/64/79/450716479.db2.gz PZAHJZPULMIDRN-KDOFPFPSSA-N 2 2 342.443 1.976 20 0 EDADLP COc1cccc([C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)c2[nH+]ccn2C)c1 ZINC000635171349 450716481 /nfs/dbraw/zinc/71/64/81/450716481.db2.gz PZAHJZPULMIDRN-KDOFPFPSSA-N 2 2 342.443 1.976 20 0 EDADLP O=C1Nc2ccccc2C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624182535 450736736 /nfs/dbraw/zinc/73/67/36/450736736.db2.gz HZKKPCIOURMKNA-SJLPKXTDSA-N 2 2 329.444 1.783 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccncc1OCC(F)(F)F)C[NH+]1CCCC1 ZINC000629578840 450745538 /nfs/dbraw/zinc/74/55/38/450745538.db2.gz VOCWJOPWXBVRAS-ZDUSSCGKSA-N 2 2 333.354 1.569 20 0 EDADLP COc1ccccc1-c1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)on1 ZINC000629585599 450750655 /nfs/dbraw/zinc/75/06/55/450750655.db2.gz XYUYGRFDWORADR-AWEZNQCLSA-N 2 2 331.416 1.897 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000635240418 450775681 /nfs/dbraw/zinc/77/56/81/450775681.db2.gz IRAPQQBJHSDGCV-GOSISDBHSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[NH+](C(C)C)CC2)cc1 ZINC000635240418 450775688 /nfs/dbraw/zinc/77/56/88/450775688.db2.gz IRAPQQBJHSDGCV-GOSISDBHSA-N 2 2 331.460 1.822 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000633291318 450776685 /nfs/dbraw/zinc/77/66/85/450776685.db2.gz YPXCHIVSXLIQCW-GFCCVEGCSA-N 2 2 341.419 1.930 20 0 EDADLP C[N@H+](CCOCC[NH3+])Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000629661485 450774547 /nfs/dbraw/zinc/77/45/47/450774547.db2.gz BQHMSUAOZGIBIZ-UHFFFAOYSA-N 2 2 344.246 1.981 20 0 EDADLP C[N@@H+](CCOCC[NH3+])Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000629661485 450774548 /nfs/dbraw/zinc/77/45/48/450774548.db2.gz BQHMSUAOZGIBIZ-UHFFFAOYSA-N 2 2 344.246 1.981 20 0 EDADLP C[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)[C@@H](C)C[N@@H+]1CCO ZINC000624286162 450782127 /nfs/dbraw/zinc/78/21/27/450782127.db2.gz LRCSBYYKDBTKEQ-KGLIPLIRSA-N 2 2 325.416 1.774 20 0 EDADLP C[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)[C@@H](C)C[N@H+]1CCO ZINC000624286162 450782132 /nfs/dbraw/zinc/78/21/32/450782132.db2.gz LRCSBYYKDBTKEQ-KGLIPLIRSA-N 2 2 325.416 1.774 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000621642110 450807236 /nfs/dbraw/zinc/80/72/36/450807236.db2.gz FAZRPYJJGTZQMI-IEBWSBKVSA-N 2 2 345.487 1.956 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1OC ZINC000631833102 450803382 /nfs/dbraw/zinc/80/33/82/450803382.db2.gz SLGALIHHCKRGLK-ZBFHGGJFSA-N 2 2 349.475 1.912 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCCCC[C@H]([NH3+])C2)cc1OC ZINC000631833102 450803387 /nfs/dbraw/zinc/80/33/87/450803387.db2.gz SLGALIHHCKRGLK-ZBFHGGJFSA-N 2 2 349.475 1.912 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCc1c(F)cccc1F ZINC000631886093 450846713 /nfs/dbraw/zinc/84/67/13/450846713.db2.gz FRBGRCVDAFARQM-DYVFJYSZSA-N 2 2 337.414 1.697 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCc1c(F)cccc1F ZINC000631886093 450846719 /nfs/dbraw/zinc/84/67/19/450846719.db2.gz FRBGRCVDAFARQM-DYVFJYSZSA-N 2 2 337.414 1.697 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887104 450848354 /nfs/dbraw/zinc/84/83/54/450848354.db2.gz NVWLZKFVFAPBCC-ZMSDIMECSA-N 2 2 331.460 1.946 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887104 450848357 /nfs/dbraw/zinc/84/83/57/450848357.db2.gz NVWLZKFVFAPBCC-ZMSDIMECSA-N 2 2 331.460 1.946 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631890054 450850537 /nfs/dbraw/zinc/85/05/37/450850537.db2.gz OEOHLLYUWGQGEQ-PKOBYXMFSA-N 2 2 344.503 1.703 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631890054 450850542 /nfs/dbraw/zinc/85/05/42/450850542.db2.gz OEOHLLYUWGQGEQ-PKOBYXMFSA-N 2 2 344.503 1.703 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631890051 450850981 /nfs/dbraw/zinc/85/09/81/450850981.db2.gz OEOHLLYUWGQGEQ-HKUYNNGSSA-N 2 2 344.503 1.703 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631890051 450850985 /nfs/dbraw/zinc/85/09/85/450850985.db2.gz OEOHLLYUWGQGEQ-HKUYNNGSSA-N 2 2 344.503 1.703 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631890173 450851064 /nfs/dbraw/zinc/85/10/64/450851064.db2.gz NBSUPOZRKWJUEA-GUDVDZBRSA-N 3 2 344.503 1.479 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631890173 450851065 /nfs/dbraw/zinc/85/10/65/450851065.db2.gz NBSUPOZRKWJUEA-GUDVDZBRSA-N 3 2 344.503 1.479 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000621780219 450864772 /nfs/dbraw/zinc/86/47/72/450864772.db2.gz ORZJPGOBYFZFDV-ZBQZNYHESA-N 2 2 349.450 1.994 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000621780219 450864777 /nfs/dbraw/zinc/86/47/77/450864777.db2.gz ORZJPGOBYFZFDV-ZBQZNYHESA-N 2 2 349.450 1.994 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(F)c[nH]c3=O)CC2)CC1 ZINC000621804289 450870674 /nfs/dbraw/zinc/87/06/74/450870674.db2.gz FSKIKVFUBJSLKZ-UHFFFAOYSA-N 2 2 336.411 1.215 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000624610824 450919884 /nfs/dbraw/zinc/91/98/84/450919884.db2.gz BLBVEVZEVDSFAG-QGZVFWFLSA-N 2 2 345.491 1.954 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624610824 450919888 /nfs/dbraw/zinc/91/98/88/450919888.db2.gz BLBVEVZEVDSFAG-QGZVFWFLSA-N 2 2 345.491 1.954 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000624737674 450974979 /nfs/dbraw/zinc/97/49/79/450974979.db2.gz KLQWFQAVBBVGRV-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000624737674 450974985 /nfs/dbraw/zinc/97/49/85/450974985.db2.gz KLQWFQAVBBVGRV-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000624737674 450974988 /nfs/dbraw/zinc/97/49/88/450974988.db2.gz KLQWFQAVBBVGRV-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000624737674 450974993 /nfs/dbraw/zinc/97/49/93/450974993.db2.gz KLQWFQAVBBVGRV-GOSISDBHSA-N 2 2 346.475 1.235 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000624738809 450976126 /nfs/dbraw/zinc/97/61/26/450976126.db2.gz NIAZOPAILAXDSS-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000624738809 450976131 /nfs/dbraw/zinc/97/61/31/450976131.db2.gz NIAZOPAILAXDSS-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C[NH+]1Cc1ccccc1 ZINC000624738809 450976135 /nfs/dbraw/zinc/97/61/35/450976135.db2.gz NIAZOPAILAXDSS-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000624738809 450976141 /nfs/dbraw/zinc/97/61/41/450976141.db2.gz NIAZOPAILAXDSS-NJAFHUGGSA-N 2 2 346.475 1.279 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621987803 450976229 /nfs/dbraw/zinc/97/62/29/450976229.db2.gz HIQBVMPNVUTZNH-UHFFFAOYSA-N 2 2 329.404 1.440 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000626921035 451004677 /nfs/dbraw/zinc/00/46/77/451004677.db2.gz OSCJNQKSEKLJGV-OKZBNKHCSA-N 2 2 346.475 1.327 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000626921035 451004683 /nfs/dbraw/zinc/00/46/83/451004683.db2.gz OSCJNQKSEKLJGV-OKZBNKHCSA-N 2 2 346.475 1.327 20 0 EDADLP CC(C)(O)C[NH+]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635532695 451028314 /nfs/dbraw/zinc/02/83/14/451028314.db2.gz NLFPSJUKQMCLQU-GFCCVEGCSA-N 2 2 348.369 1.292 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCOC3(CC[NH+](C)CC3)C1)CC2 ZINC000627966435 451057241 /nfs/dbraw/zinc/05/72/41/451057241.db2.gz ZHSLXLLNCSIHQC-OAHLLOKOSA-N 2 2 332.448 1.077 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627006853 451071467 /nfs/dbraw/zinc/07/14/67/451071467.db2.gz MYAJKJFAQFNTBD-PHKINGBFSA-N 2 2 338.402 1.760 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000627006853 451071472 /nfs/dbraw/zinc/07/14/72/451071472.db2.gz MYAJKJFAQFNTBD-PHKINGBFSA-N 2 2 338.402 1.760 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc2cnccc21 ZINC000628062908 451114578 /nfs/dbraw/zinc/11/45/78/451114578.db2.gz UEURUHYPHPYPJR-UHFFFAOYSA-N 2 2 328.460 1.777 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc2cnccc21 ZINC000628062908 451114585 /nfs/dbraw/zinc/11/45/85/451114585.db2.gz UEURUHYPHPYPJR-UHFFFAOYSA-N 2 2 328.460 1.777 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC000627119290 451135169 /nfs/dbraw/zinc/13/51/69/451135169.db2.gz MOATZYAICGVHSH-CQSZACIVSA-N 2 2 346.479 1.762 20 0 EDADLP C[C@H]1CC[C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C[NH2+]1 ZINC000627193783 451179302 /nfs/dbraw/zinc/17/93/02/451179302.db2.gz PQNOEDFAGPLWRB-IRXDYDNUSA-N 2 2 346.475 1.533 20 0 EDADLP CC[C@H]1C[C@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCO1 ZINC000634193528 451229696 /nfs/dbraw/zinc/22/96/96/451229696.db2.gz JPJYYFRFIMRLLC-ZBFHGGJFSA-N 2 2 332.448 1.977 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000635709618 451188223 /nfs/dbraw/zinc/18/82/23/451188223.db2.gz PBQFXWVROZNEFT-OTWHNJEPSA-N 2 2 345.487 1.470 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000635709618 451188229 /nfs/dbraw/zinc/18/82/29/451188229.db2.gz PBQFXWVROZNEFT-OTWHNJEPSA-N 2 2 345.487 1.470 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000635709618 451188239 /nfs/dbraw/zinc/18/82/39/451188239.db2.gz PBQFXWVROZNEFT-OTWHNJEPSA-N 2 2 345.487 1.470 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000635709617 451188916 /nfs/dbraw/zinc/18/89/16/451188916.db2.gz PBQFXWVROZNEFT-FHWLQOOXSA-N 2 2 345.487 1.470 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000635709617 451188918 /nfs/dbraw/zinc/18/89/18/451188918.db2.gz PBQFXWVROZNEFT-FHWLQOOXSA-N 2 2 345.487 1.470 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000635709617 451188920 /nfs/dbraw/zinc/18/89/20/451188920.db2.gz PBQFXWVROZNEFT-FHWLQOOXSA-N 2 2 345.487 1.470 20 0 EDADLP CC[C@H](C)[NH2+][C@@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)c1ccco1 ZINC000632328754 451200597 /nfs/dbraw/zinc/20/05/97/451200597.db2.gz HZWDHSDLUDGGEF-KBPBESRZSA-N 2 2 343.493 1.722 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000628307923 451214333 /nfs/dbraw/zinc/21/43/33/451214333.db2.gz KXCRYWROYFRTNI-HNNXBMFYSA-N 2 2 339.505 1.947 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000628307923 451214335 /nfs/dbraw/zinc/21/43/35/451214335.db2.gz KXCRYWROYFRTNI-HNNXBMFYSA-N 2 2 339.505 1.947 20 0 EDADLP CCn1ccc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000634194148 451231194 /nfs/dbraw/zinc/23/11/94/451231194.db2.gz LKTHLIAJFLLQLM-UHFFFAOYSA-N 2 2 328.420 1.231 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC[C@@]3(C)CCC(=O)N3)c2)CC1 ZINC000634194274 451231283 /nfs/dbraw/zinc/23/12/83/451231283.db2.gz QYBZVCIIKMGVBA-SFHVURJKSA-N 2 2 345.447 1.221 20 0 EDADLP C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1cccnc1 ZINC000634195540 451231918 /nfs/dbraw/zinc/23/19/18/451231918.db2.gz CNSUQSTUZCNDMJ-AWEZNQCLSA-N 2 2 325.416 1.971 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCc3ccccn3)c2)CC1 ZINC000634193508 451229410 /nfs/dbraw/zinc/22/94/10/451229410.db2.gz JCLLFYVQIFBBST-UHFFFAOYSA-N 2 2 325.416 1.800 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCCc4n[nH]cc43)c2)CC1 ZINC000634196255 451234311 /nfs/dbraw/zinc/23/43/11/451234311.db2.gz RJXKFCMBRWBASI-AWEZNQCLSA-N 2 2 340.431 1.615 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635795059 451245448 /nfs/dbraw/zinc/24/54/48/451245448.db2.gz ORTZNBOEDNUEKG-UHFFFAOYSA-N 2 2 346.431 1.666 20 0 EDADLP C[C@@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)[C@@H](C)[NH+]1CCOCC1 ZINC000638102496 451269574 /nfs/dbraw/zinc/26/95/74/451269574.db2.gz UVUQERIEHNEOCB-XLMAVXFVSA-N 2 2 349.475 1.144 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635829193 451278788 /nfs/dbraw/zinc/27/87/88/451278788.db2.gz QYVSYONEELZNGN-INIZCTEOSA-N 2 2 343.475 1.385 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635829193 451278792 /nfs/dbraw/zinc/27/87/92/451278792.db2.gz QYVSYONEELZNGN-INIZCTEOSA-N 2 2 343.475 1.385 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124303 451293441 /nfs/dbraw/zinc/29/34/41/451293441.db2.gz RXRYMPVHCZFNQH-NJAFHUGGSA-N 2 2 332.492 1.387 20 0 EDADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000638124303 451293445 /nfs/dbraw/zinc/29/34/45/451293445.db2.gz RXRYMPVHCZFNQH-NJAFHUGGSA-N 2 2 332.492 1.387 20 0 EDADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H]1CCC[C@H]1O ZINC000638171263 451334348 /nfs/dbraw/zinc/33/43/48/451334348.db2.gz VVVSHWXMFITDFO-AZUAARDMSA-N 2 2 348.487 1.990 20 0 EDADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@@H]1CCC[C@H]1O ZINC000638171263 451334353 /nfs/dbraw/zinc/33/43/53/451334353.db2.gz VVVSHWXMFITDFO-AZUAARDMSA-N 2 2 348.487 1.990 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000636548200 451288513 /nfs/dbraw/zinc/28/85/13/451288513.db2.gz DRCXJNDIYODCDL-HUUCEWRRSA-N 2 2 349.479 1.242 20 0 EDADLP CC1(C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH+]1CCOCC1 ZINC000640510406 451360039 /nfs/dbraw/zinc/36/00/39/451360039.db2.gz GRKUMXPLYJCLLH-RBSFLKMASA-N 2 2 332.448 1.061 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[C@H]([NH+]4CCOCC4)C3(C)C)ccn12 ZINC000640510026 451360767 /nfs/dbraw/zinc/36/07/67/451360767.db2.gz DZKNEGJFOSYLEH-CVEARBPZSA-N 2 2 342.443 1.872 20 0 EDADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638226719 451368482 /nfs/dbraw/zinc/36/84/82/451368482.db2.gz INBBNLWPYMFXMO-INIZCTEOSA-N 2 2 325.416 1.196 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640568356 451412635 /nfs/dbraw/zinc/41/26/35/451412635.db2.gz XXGIDXGAPKIPJK-PMPSAXMXSA-N 2 2 348.409 1.812 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640568356 451412639 /nfs/dbraw/zinc/41/26/39/451412639.db2.gz XXGIDXGAPKIPJK-PMPSAXMXSA-N 2 2 348.409 1.812 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C[NH3+])nc2)[C@H]1c1ccc(Cl)cc1 ZINC000638298969 451414461 /nfs/dbraw/zinc/41/44/61/451414461.db2.gz WBEIKOVBAZMEFJ-GDBMZVCRSA-N 2 2 345.834 1.764 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)c2cnc(C[NH3+])nc2)[C@H]1c1ccc(Cl)cc1 ZINC000638298969 451414466 /nfs/dbraw/zinc/41/44/66/451414466.db2.gz WBEIKOVBAZMEFJ-GDBMZVCRSA-N 2 2 345.834 1.764 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638303073 451417127 /nfs/dbraw/zinc/41/71/27/451417127.db2.gz ZXSUYVRKJJPHAV-KRWDZBQOSA-N 2 2 329.448 1.191 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638303073 451417134 /nfs/dbraw/zinc/41/71/34/451417134.db2.gz ZXSUYVRKJJPHAV-KRWDZBQOSA-N 2 2 329.448 1.191 20 0 EDADLP C[C@]1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C[NH2+]CCO1 ZINC000638320435 451430723 /nfs/dbraw/zinc/43/07/23/451430723.db2.gz MADLHOGWDPVWCD-QGZVFWFLSA-N 2 2 337.851 1.193 20 0 EDADLP C[C@]1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C[NH2+]CCO1 ZINC000638320435 451430727 /nfs/dbraw/zinc/43/07/27/451430727.db2.gz MADLHOGWDPVWCD-QGZVFWFLSA-N 2 2 337.851 1.193 20 0 EDADLP Cc1cc(NCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000628826021 451434996 /nfs/dbraw/zinc/43/49/96/451434996.db2.gz JRROQWJIMBVVFQ-GJZGRUSLSA-N 2 2 333.480 2.309 20 0 EDADLP CN(C)c1cc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc[nH+]1 ZINC000640604103 451450398 /nfs/dbraw/zinc/45/03/98/451450398.db2.gz KPUNFXUSBZRMIV-CVEARBPZSA-N 2 2 347.463 1.913 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000638364403 451461739 /nfs/dbraw/zinc/46/17/39/451461739.db2.gz ZNOOUHFOJCFDMX-CQSZACIVSA-N 2 2 331.526 1.701 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000638364403 451461741 /nfs/dbraw/zinc/46/17/41/451461741.db2.gz ZNOOUHFOJCFDMX-CQSZACIVSA-N 2 2 331.526 1.701 20 0 EDADLP C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000634698099 451469021 /nfs/dbraw/zinc/46/90/21/451469021.db2.gz AGLNTDUJWJJRKW-MOPGFXCFSA-N 2 2 329.444 1.933 20 0 EDADLP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000628921658 451486322 /nfs/dbraw/zinc/48/63/22/451486322.db2.gz RMDYDJYFJDXMTJ-KRWDZBQOSA-N 2 2 349.475 1.468 20 0 EDADLP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000628921658 451486326 /nfs/dbraw/zinc/48/63/26/451486326.db2.gz RMDYDJYFJDXMTJ-KRWDZBQOSA-N 2 2 349.475 1.468 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC([C@@H]3CCC[NH2+]C3)CC1)CC2 ZINC000638401836 451491057 /nfs/dbraw/zinc/49/10/57/451491057.db2.gz HONQLUATRFUQIB-IAGOWNOFSA-N 2 2 330.476 1.992 20 0 EDADLP NC(=O)c1coc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000634711690 451491158 /nfs/dbraw/zinc/49/11/58/451491158.db2.gz SYVCVFXMQRXESD-SFHVURJKSA-N 2 2 329.400 1.105 20 0 EDADLP NC(=O)c1coc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000634711690 451491163 /nfs/dbraw/zinc/49/11/63/451491163.db2.gz SYVCVFXMQRXESD-SFHVURJKSA-N 2 2 329.400 1.105 20 0 EDADLP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nncn1C ZINC000634714689 451495587 /nfs/dbraw/zinc/49/55/87/451495587.db2.gz OZWQUHDPODGESO-PKOBYXMFSA-N 2 2 343.475 1.739 20 0 EDADLP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nncn1C ZINC000634714689 451495591 /nfs/dbraw/zinc/49/55/91/451495591.db2.gz OZWQUHDPODGESO-PKOBYXMFSA-N 2 2 343.475 1.739 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000640600661 451447160 /nfs/dbraw/zinc/44/71/60/451447160.db2.gz RHZYUPYSGVUMAE-UKRRQHHQSA-N 2 2 333.436 1.475 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000634724052 451504605 /nfs/dbraw/zinc/50/46/05/451504605.db2.gz IUATYCKMSXCCBC-RLLQIKCJSA-N 3 2 331.504 1.801 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000634724052 451504609 /nfs/dbraw/zinc/50/46/09/451504609.db2.gz IUATYCKMSXCCBC-RLLQIKCJSA-N 3 2 331.504 1.801 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630948503 451505106 /nfs/dbraw/zinc/50/51/06/451505106.db2.gz GIAYUBDITCAFKN-MRXNPFEDSA-N 2 2 341.459 1.167 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638427315 451510502 /nfs/dbraw/zinc/51/05/02/451510502.db2.gz OTGNLPPYZXKPGE-GOEBONIOSA-N 2 2 329.448 1.540 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000638427315 451510510 /nfs/dbraw/zinc/51/05/10/451510510.db2.gz OTGNLPPYZXKPGE-GOEBONIOSA-N 2 2 329.448 1.540 20 0 EDADLP COCCC[NH+]1CCC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638484173 451537250 /nfs/dbraw/zinc/53/72/50/451537250.db2.gz UQZNQOWHLCACLS-UHFFFAOYSA-N 3 2 327.513 1.312 20 0 EDADLP NS(=O)(=O)c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000631045884 451551296 /nfs/dbraw/zinc/55/12/96/451551296.db2.gz WLEDDTIRFIHTQD-QWHCGFSZSA-N 2 2 343.880 1.704 20 0 EDADLP NS(=O)(=O)c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000631045884 451551303 /nfs/dbraw/zinc/55/13/03/451551303.db2.gz WLEDDTIRFIHTQD-QWHCGFSZSA-N 2 2 343.880 1.704 20 0 EDADLP CCc1c[nH]c(CC(=O)NCC2CC[NH+](C3CCOCC3)CC2)[nH+]1 ZINC000636158526 451553664 /nfs/dbraw/zinc/55/36/64/451553664.db2.gz XCGPUEURJZRPDX-UHFFFAOYSA-N 2 2 334.464 1.522 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000636855458 451556896 /nfs/dbraw/zinc/55/68/96/451556896.db2.gz YXPYDPJYHKEYOZ-QGZVFWFLSA-N 2 2 337.439 1.437 20 0 EDADLP Cc1nc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nc(N)[nH+]1 ZINC000631065766 451564108 /nfs/dbraw/zinc/56/41/08/451564108.db2.gz WHYZQXFVXUMFKY-UHFFFAOYSA-N 2 2 334.374 2.117 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)[nH+]cn2)C1 ZINC000634810005 451565697 /nfs/dbraw/zinc/56/56/97/451565697.db2.gz ISSVZXATRYKALQ-JONQDZQNSA-N 2 2 331.464 1.120 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)nc[nH+]2)C1 ZINC000634810005 451565703 /nfs/dbraw/zinc/56/57/03/451565703.db2.gz ISSVZXATRYKALQ-JONQDZQNSA-N 2 2 331.464 1.120 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@](C)([NH3+])c2ccccc2)nc(C(C)C)[nH+]1 ZINC000638582650 451588865 /nfs/dbraw/zinc/58/88/65/451588865.db2.gz AQARFWWJKGFYRB-IBGZPJMESA-N 2 2 341.459 2.311 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000631109857 451589685 /nfs/dbraw/zinc/58/96/85/451589685.db2.gz HXGFVCVMGUHFEM-QGZVFWFLSA-N 2 2 329.448 1.715 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000631109857 451589686 /nfs/dbraw/zinc/58/96/86/451589686.db2.gz HXGFVCVMGUHFEM-QGZVFWFLSA-N 2 2 329.448 1.715 20 0 EDADLP c1cn(CCC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)nn1 ZINC000631109772 451589885 /nfs/dbraw/zinc/58/98/85/451589885.db2.gz CRJBODJPDTXRCH-UHFFFAOYSA-N 2 2 345.447 1.169 20 0 EDADLP Nc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(N)n1 ZINC000638601288 451599059 /nfs/dbraw/zinc/59/90/59/451599059.db2.gz OZYISOJIJAQCQS-ALOPSCKCSA-N 2 2 338.459 1.587 20 0 EDADLP Nc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(N)n1 ZINC000638601288 451599062 /nfs/dbraw/zinc/59/90/62/451599062.db2.gz OZYISOJIJAQCQS-ALOPSCKCSA-N 2 2 338.459 1.587 20 0 EDADLP O=C1CC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CCN1 ZINC000634956903 451623634 /nfs/dbraw/zinc/62/36/34/451623634.db2.gz WZJZAEDTJBKTLS-KRWDZBQOSA-N 2 2 347.459 1.156 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632870771 451624096 /nfs/dbraw/zinc/62/40/96/451624096.db2.gz KASWAIDYDPZZQG-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCC([NH2+]CCO)CC2)c1 ZINC000632909752 451645544 /nfs/dbraw/zinc/64/55/44/451645544.db2.gz LBGAWBLSNTTWDJ-UHFFFAOYSA-N 2 2 343.431 1.665 20 0 EDADLP c1ccc(N2CCC(Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)CC2)[nH+]c1 ZINC000635009882 451648655 /nfs/dbraw/zinc/64/86/55/451648655.db2.gz OQJUURPKJHTGKM-UHFFFAOYSA-N 3 2 338.459 1.967 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000631246431 451660503 /nfs/dbraw/zinc/66/05/03/451660503.db2.gz CRFHMCXWILRZCN-OKZBNKHCSA-N 3 2 336.524 1.344 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000631246431 451660509 /nfs/dbraw/zinc/66/05/09/451660509.db2.gz CRFHMCXWILRZCN-OKZBNKHCSA-N 3 2 336.524 1.344 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000631246431 451660513 /nfs/dbraw/zinc/66/05/13/451660513.db2.gz CRFHMCXWILRZCN-OKZBNKHCSA-N 3 2 336.524 1.344 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC[NH+]1C ZINC000631246431 451660519 /nfs/dbraw/zinc/66/05/19/451660519.db2.gz CRFHMCXWILRZCN-OKZBNKHCSA-N 3 2 336.524 1.344 20 0 EDADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636293831 451663247 /nfs/dbraw/zinc/66/32/47/451663247.db2.gz ROEVVUKRAAISIF-KRWDZBQOSA-N 2 2 339.443 1.227 20 0 EDADLP COCCOCC[N@H+](C)CCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000636242382 451613239 /nfs/dbraw/zinc/61/32/39/451613239.db2.gz HTAIVLNMFFPQMG-UHFFFAOYSA-N 2 2 334.420 1.566 20 0 EDADLP COCCOCC[N@@H+](C)CCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000636242382 451613245 /nfs/dbraw/zinc/61/32/45/451613245.db2.gz HTAIVLNMFFPQMG-UHFFFAOYSA-N 2 2 334.420 1.566 20 0 EDADLP Cc1nc(NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)nc(N)[nH+]1 ZINC000631286825 451681767 /nfs/dbraw/zinc/68/17/67/451681767.db2.gz ZRYWOUCMNBSMMR-OAHLLOKOSA-N 2 2 330.436 1.686 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000638780269 451688910 /nfs/dbraw/zinc/68/89/10/451688910.db2.gz PDCCPRDVHBKFDA-JJRVBVJISA-N 2 2 334.439 1.203 20 0 EDADLP C[NH+](C)C1(CNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCOCC1 ZINC000631308499 451689717 /nfs/dbraw/zinc/68/97/17/451689717.db2.gz RCPFCNXIZYAJEH-UHFFFAOYSA-N 2 2 328.416 1.917 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(CO)cc3)[nH+]c2)C1 ZINC000638790191 451692564 /nfs/dbraw/zinc/69/25/64/451692564.db2.gz VWWFEXPIXOTYDR-GOSISDBHSA-N 2 2 326.444 2.326 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000638731071 451669470 /nfs/dbraw/zinc/66/94/70/451669470.db2.gz JRSNISDLCNLPMV-SFHVURJKSA-N 2 2 340.427 1.171 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000638731071 451669476 /nfs/dbraw/zinc/66/94/76/451669476.db2.gz JRSNISDLCNLPMV-SFHVURJKSA-N 2 2 340.427 1.171 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984239 451745641 /nfs/dbraw/zinc/74/56/41/451745641.db2.gz LBIQQXFHMTZDDU-UHFFFAOYSA-N 3 2 345.472 1.867 20 0 EDADLP CCCn1nc(C)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1C ZINC000638986594 451747438 /nfs/dbraw/zinc/74/74/38/451747438.db2.gz VBCPARIKIFECJR-UHFFFAOYSA-N 2 2 342.447 1.967 20 0 EDADLP CC[NH2+]Cc1ccn(Cc2cn(Cc3ccc(C)[nH+]c3C)nn2)n1 ZINC000641096538 451748710 /nfs/dbraw/zinc/74/87/10/451748710.db2.gz UNJIGDIFVLZEBG-UHFFFAOYSA-N 2 2 325.420 1.693 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@H]1O ZINC000639074393 451762181 /nfs/dbraw/zinc/76/21/81/451762181.db2.gz OITUZIBDICLNBJ-QFBILLFUSA-N 2 2 334.460 1.600 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@H]1O ZINC000639074393 451762183 /nfs/dbraw/zinc/76/21/83/451762183.db2.gz OITUZIBDICLNBJ-QFBILLFUSA-N 2 2 334.460 1.600 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+](C1CC1)C1COC1 ZINC000639216184 451793272 /nfs/dbraw/zinc/79/32/72/451793272.db2.gz RDYNWOYSGABOKF-UHFFFAOYSA-N 2 2 332.444 1.761 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+](C1CC1)C1COC1 ZINC000639216184 451793273 /nfs/dbraw/zinc/79/32/73/451793273.db2.gz RDYNWOYSGABOKF-UHFFFAOYSA-N 2 2 332.444 1.761 20 0 EDADLP CN(Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H]1CCC[N@@H+]1C ZINC000639298210 451812586 /nfs/dbraw/zinc/81/25/86/451812586.db2.gz WOOCECJGWMICRS-LJQANCHMSA-N 2 2 347.503 1.924 20 0 EDADLP CN(Cc1ccc(OCC[NH+]2CCOCC2)cc1)C[C@H]1CCC[N@H+]1C ZINC000639298210 451812592 /nfs/dbraw/zinc/81/25/92/451812592.db2.gz WOOCECJGWMICRS-LJQANCHMSA-N 2 2 347.503 1.924 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)CCCC2 ZINC000639303989 451816493 /nfs/dbraw/zinc/81/64/93/451816493.db2.gz XGNQRHLEUDCHBF-MRXNPFEDSA-N 2 2 332.492 1.986 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)CCCC2 ZINC000639303989 451816495 /nfs/dbraw/zinc/81/64/95/451816495.db2.gz XGNQRHLEUDCHBF-MRXNPFEDSA-N 2 2 332.492 1.986 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000653298615 451827660 /nfs/dbraw/zinc/82/76/60/451827660.db2.gz ZAXPPUIUQNWILX-GDBMZVCRSA-N 2 2 327.432 1.300 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000653298615 451827667 /nfs/dbraw/zinc/82/76/67/451827667.db2.gz ZAXPPUIUQNWILX-GDBMZVCRSA-N 2 2 327.432 1.300 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H](CO)c2ccc(F)cc2F)CC1 ZINC000639330199 451829767 /nfs/dbraw/zinc/82/97/67/451829767.db2.gz JNHJFOJFFVAVJG-MRXNPFEDSA-N 2 2 328.403 1.823 20 0 EDADLP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ncc1Br ZINC000653346790 451858582 /nfs/dbraw/zinc/85/85/82/451858582.db2.gz HYAOGUSGYVGYOD-VIFPVBQESA-N 2 2 331.214 1.070 20 0 EDADLP CCc1nn(C)c(OC)c1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644618060 451898256 /nfs/dbraw/zinc/89/82/56/451898256.db2.gz AWXJSRJHHJMMPE-INIZCTEOSA-N 2 2 346.475 1.574 20 0 EDADLP CCc1nn(C)c(OC)c1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644618060 451898258 /nfs/dbraw/zinc/89/82/58/451898258.db2.gz AWXJSRJHHJMMPE-INIZCTEOSA-N 2 2 346.475 1.574 20 0 EDADLP Cc1cc(NC(=O)CC[NH2+]CC2([NH+](C)C)Cc3ccccc3C2)no1 ZINC000644574086 451870376 /nfs/dbraw/zinc/87/03/76/451870376.db2.gz WCLDCQXSOHRXKS-UHFFFAOYSA-N 2 2 342.443 2.000 20 0 EDADLP COC1CC[NH+](CCNC(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000653372062 451883018 /nfs/dbraw/zinc/88/30/18/451883018.db2.gz MMFHGQUSAYEZGO-UHFFFAOYSA-N 2 2 331.420 1.875 20 0 EDADLP C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641373111 451907385 /nfs/dbraw/zinc/90/73/85/451907385.db2.gz UDEVNWBLVMPFJY-UHFFFAOYSA-N 2 2 328.482 1.409 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000644695036 451940787 /nfs/dbraw/zinc/94/07/87/451940787.db2.gz XKNVLPPMLADSED-RDJZCZTQSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000644695036 451940792 /nfs/dbraw/zinc/94/07/92/451940792.db2.gz XKNVLPPMLADSED-RDJZCZTQSA-N 2 2 340.427 1.651 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC[C@H]1CCCO1 ZINC000649274876 451946796 /nfs/dbraw/zinc/94/67/96/451946796.db2.gz YOYZNWVAWRDOJJ-MSOLQXFVSA-N 2 2 342.443 1.487 20 0 EDADLP Cc1ncc(CNC(=O)CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000639563898 451947225 /nfs/dbraw/zinc/94/72/25/451947225.db2.gz CTHYJRGGKABGRW-CYBMUJFWSA-N 2 2 333.461 1.681 20 0 EDADLP Cc1ncc(CNC(=O)CC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000639563898 451947234 /nfs/dbraw/zinc/94/72/34/451947234.db2.gz CTHYJRGGKABGRW-CYBMUJFWSA-N 2 2 333.461 1.681 20 0 EDADLP CCC[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1CCOC ZINC000651622188 451968289 /nfs/dbraw/zinc/96/82/89/451968289.db2.gz RDMJGNOYBIDJFW-KRWDZBQOSA-N 2 2 348.491 1.721 20 0 EDADLP CCC[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1CCOC ZINC000651622188 451968293 /nfs/dbraw/zinc/96/82/93/451968293.db2.gz RDMJGNOYBIDJFW-KRWDZBQOSA-N 2 2 348.491 1.721 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC000649299340 451976088 /nfs/dbraw/zinc/97/60/88/451976088.db2.gz LDISBYTVDRJFOL-AWEZNQCLSA-N 2 2 337.387 1.465 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000649305014 451982526 /nfs/dbraw/zinc/98/25/26/451982526.db2.gz WYFOFNYCRLOXSO-CYBMUJFWSA-N 2 2 330.432 1.153 20 0 EDADLP C[NH+]1CCN(c2ccc(NCc3cc4n(n3)CCCC4)[nH+]c2)CC1 ZINC000653497527 451985851 /nfs/dbraw/zinc/98/58/51/451985851.db2.gz JFQGTHGTVKXGCS-UHFFFAOYSA-N 2 2 326.448 1.400 20 0 EDADLP COCCC1(C(=O)NCCCCNc2cccc[nH+]2)CC[NH2+]CC1 ZINC000649318388 451996285 /nfs/dbraw/zinc/99/62/85/451996285.db2.gz FPFJSLOOXZPMIR-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000641466324 452000864 /nfs/dbraw/zinc/00/08/64/452000864.db2.gz OYNGWYFBTWDLMH-QGZVFWFLSA-N 2 2 348.472 1.325 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000641466324 452000867 /nfs/dbraw/zinc/00/08/67/452000867.db2.gz OYNGWYFBTWDLMH-QGZVFWFLSA-N 2 2 348.472 1.325 20 0 EDADLP Cn1c2cc(C[NH+]3CCC(CO)([NH2+]CC4CC4)CC3)ccc2oc1=O ZINC000639668500 452012233 /nfs/dbraw/zinc/01/22/33/452012233.db2.gz ISASMNVTJNHXDB-UHFFFAOYSA-N 2 2 345.443 1.458 20 0 EDADLP Cc1cccn2cc(CCNC(=O)c3csc(CC[NH3+])n3)[nH+]c12 ZINC000649335826 452016058 /nfs/dbraw/zinc/01/60/58/452016058.db2.gz BGWRFPQXGXAOIH-UHFFFAOYSA-N 2 2 329.429 1.573 20 0 EDADLP C[N@@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C[C@@H]1Cc1ccccc1 ZINC000641484221 452016507 /nfs/dbraw/zinc/01/65/07/452016507.db2.gz LJTVIKRDIMWDNV-KRWDZBQOSA-N 2 2 348.472 1.072 20 0 EDADLP C[N@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C[C@@H]1Cc1ccccc1 ZINC000641484221 452016514 /nfs/dbraw/zinc/01/65/14/452016514.db2.gz LJTVIKRDIMWDNV-KRWDZBQOSA-N 2 2 348.472 1.072 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649339316 452019578 /nfs/dbraw/zinc/01/95/78/452019578.db2.gz MBQLRSRJIWCEDK-VQFNDLOPSA-N 2 2 328.460 1.612 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649339216 452019694 /nfs/dbraw/zinc/01/96/94/452019694.db2.gz CHLLUKPISORYBL-KRWDZBQOSA-N 2 2 346.475 1.383 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)C2)o1 ZINC000649345715 452025815 /nfs/dbraw/zinc/02/58/15/452025815.db2.gz LTOGLJIRWRGYIF-RDTXWAMCSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)C2)o1 ZINC000649345715 452025818 /nfs/dbraw/zinc/02/58/18/452025818.db2.gz LTOGLJIRWRGYIF-RDTXWAMCSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)C2)o1 ZINC000649345712 452026299 /nfs/dbraw/zinc/02/62/99/452026299.db2.gz LTOGLJIRWRGYIF-KBXCAEBGSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)C2)o1 ZINC000649345712 452026304 /nfs/dbraw/zinc/02/63/04/452026304.db2.gz LTOGLJIRWRGYIF-KBXCAEBGSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641499880 452031357 /nfs/dbraw/zinc/03/13/57/452031357.db2.gz LRAOSTPNLONFSX-AWEZNQCLSA-N 2 2 339.505 1.682 20 0 EDADLP CC(C)[NH+](C)C[C@H](C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641499880 452031363 /nfs/dbraw/zinc/03/13/63/452031363.db2.gz LRAOSTPNLONFSX-AWEZNQCLSA-N 2 2 339.505 1.682 20 0 EDADLP CC(C)[NH+](C)C[C@H](C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641499880 452031365 /nfs/dbraw/zinc/03/13/65/452031365.db2.gz LRAOSTPNLONFSX-AWEZNQCLSA-N 2 2 339.505 1.682 20 0 EDADLP Cn1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C2CCC2)n1 ZINC000644860215 452033630 /nfs/dbraw/zinc/03/36/30/452033630.db2.gz WNSQGVXMTQFRQX-HNNXBMFYSA-N 2 2 345.491 1.586 20 0 EDADLP Cn1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C2CCC2)n1 ZINC000644860215 452033635 /nfs/dbraw/zinc/03/36/35/452033635.db2.gz WNSQGVXMTQFRQX-HNNXBMFYSA-N 2 2 345.491 1.586 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649359791 452039762 /nfs/dbraw/zinc/03/97/62/452039762.db2.gz BDXFRDIVKZSYIS-JCGIZDLHSA-N 3 2 341.459 1.058 20 0 EDADLP Cc1cccn2cc(CC(=O)N3C[C@@H](C[NH3+])C4(C3)CCOCC4)[nH+]c12 ZINC000649366000 452045196 /nfs/dbraw/zinc/04/51/96/452045196.db2.gz GMUWSWUUASOTAP-OAHLLOKOSA-N 2 2 342.443 1.399 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)n1C ZINC000644902589 452061458 /nfs/dbraw/zinc/06/14/58/452061458.db2.gz RVRVHJCUVAKADQ-SFHVURJKSA-N 2 2 325.416 1.582 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)n1C ZINC000644902589 452061463 /nfs/dbraw/zinc/06/14/63/452061463.db2.gz RVRVHJCUVAKADQ-SFHVURJKSA-N 2 2 325.416 1.582 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000649415293 452078264 /nfs/dbraw/zinc/07/82/64/452078264.db2.gz UAPHCGPRCHMSMA-PVAVHDDUSA-N 2 2 331.464 1.380 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000649415293 452078272 /nfs/dbraw/zinc/07/82/72/452078272.db2.gz UAPHCGPRCHMSMA-PVAVHDDUSA-N 2 2 331.464 1.380 20 0 EDADLP CCN1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000637786628 452078312 /nfs/dbraw/zinc/07/83/12/452078312.db2.gz MFSFIZFGQUZUTN-LSDHHAIUSA-N 2 2 334.468 1.188 20 0 EDADLP c1nnc([C@@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954238 452085730 /nfs/dbraw/zinc/08/57/30/452085730.db2.gz MPRHIIMQQNKWST-MSOLQXFVSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954238 452085735 /nfs/dbraw/zinc/08/57/35/452085735.db2.gz MPRHIIMQQNKWST-MSOLQXFVSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954238 452085742 /nfs/dbraw/zinc/08/57/42/452085742.db2.gz MPRHIIMQQNKWST-MSOLQXFVSA-N 2 2 341.459 1.885 20 0 EDADLP c1nnc([C@@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)[nH]1 ZINC000644954238 452085750 /nfs/dbraw/zinc/08/57/50/452085750.db2.gz MPRHIIMQQNKWST-MSOLQXFVSA-N 2 2 341.459 1.885 20 0 EDADLP CN1CC[NH+](Cc2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)cc2)CC1 ZINC000647151446 452091147 /nfs/dbraw/zinc/09/11/47/452091147.db2.gz GGTWOYDDARZDSV-INIZCTEOSA-N 2 2 327.432 1.909 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC000637823482 452101636 /nfs/dbraw/zinc/10/16/36/452101636.db2.gz JBHULBJTVHRELA-CQSZACIVSA-N 2 2 340.431 1.197 20 0 EDADLP CC1(C)CC([NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC(C)(C)[NH2+]1 ZINC000647168484 452101721 /nfs/dbraw/zinc/10/17/21/452101721.db2.gz XGDRAPBULSLTRU-UHFFFAOYSA-N 2 2 343.468 1.872 20 0 EDADLP C[C@H](CCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)[NH+](C)C ZINC000641605731 452125341 /nfs/dbraw/zinc/12/53/41/452125341.db2.gz LGAODLKQKZYPQZ-CYBMUJFWSA-N 2 2 325.478 1.293 20 0 EDADLP C[C@H](CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)[NH+](C)C ZINC000641605731 452125348 /nfs/dbraw/zinc/12/53/48/452125348.db2.gz LGAODLKQKZYPQZ-CYBMUJFWSA-N 2 2 325.478 1.293 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649535783 452132594 /nfs/dbraw/zinc/13/25/94/452132594.db2.gz HKCZGMGESWGYBC-HZPDHXFCSA-N 2 2 346.431 1.448 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649535783 452132600 /nfs/dbraw/zinc/13/26/00/452132600.db2.gz HKCZGMGESWGYBC-HZPDHXFCSA-N 2 2 346.431 1.448 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649535783 452132606 /nfs/dbraw/zinc/13/26/06/452132606.db2.gz HKCZGMGESWGYBC-HZPDHXFCSA-N 2 2 346.431 1.448 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000649535783 452132610 /nfs/dbraw/zinc/13/26/10/452132610.db2.gz HKCZGMGESWGYBC-HZPDHXFCSA-N 2 2 346.431 1.448 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000641624383 452145233 /nfs/dbraw/zinc/14/52/33/452145233.db2.gz KFMPCTYGOMZTJO-LSDHHAIUSA-N 2 2 326.485 1.175 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000641624383 452145239 /nfs/dbraw/zinc/14/52/39/452145239.db2.gz KFMPCTYGOMZTJO-LSDHHAIUSA-N 2 2 326.485 1.175 20 0 EDADLP CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000649588045 452157048 /nfs/dbraw/zinc/15/70/48/452157048.db2.gz ZHYPMBSSEAQDST-PMPSAXMXSA-N 2 2 331.526 1.509 20 0 EDADLP CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000649588045 452157052 /nfs/dbraw/zinc/15/70/52/452157052.db2.gz ZHYPMBSSEAQDST-PMPSAXMXSA-N 2 2 331.526 1.509 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000645220838 452217131 /nfs/dbraw/zinc/21/71/31/452217131.db2.gz DWJUYMCACYFQOI-INIZCTEOSA-N 2 2 335.448 1.012 20 0 EDADLP c1cc2[nH+]ccc(N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)c2s1 ZINC000641718776 452218886 /nfs/dbraw/zinc/21/88/86/452218886.db2.gz YZAQMMHHQWACEY-OAHLLOKOSA-N 2 2 346.500 1.927 20 0 EDADLP c1cc2[nH+]ccc(N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)c2s1 ZINC000641718776 452218891 /nfs/dbraw/zinc/21/88/91/452218891.db2.gz YZAQMMHHQWACEY-OAHLLOKOSA-N 2 2 346.500 1.927 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000652013672 452224799 /nfs/dbraw/zinc/22/47/99/452224799.db2.gz MQXLXORNCGXVBD-HNNXBMFYSA-N 2 2 346.479 1.812 20 0 EDADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C(=O)N1CCOCC1 ZINC000643461110 452233952 /nfs/dbraw/zinc/23/39/52/452233952.db2.gz UZAFVWBGNPUQRX-QRVBRYPASA-N 2 2 345.487 1.953 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000637994500 452236824 /nfs/dbraw/zinc/23/68/24/452236824.db2.gz ZFGBLARUMJOIDR-MRXNPFEDSA-N 2 2 332.448 1.274 20 0 EDADLP COc1cc2[nH]c(NCc3c[nH+]c(N(C)C)n3C)[nH+]c2cc1OC ZINC000641777880 452249205 /nfs/dbraw/zinc/24/92/05/452249205.db2.gz BZMVALDOMCMWTG-UHFFFAOYSA-N 2 2 330.392 1.414 20 0 EDADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000641784787 452253663 /nfs/dbraw/zinc/25/36/63/452253663.db2.gz FSWGMSSSUNAHMW-DLBZAZTESA-N 2 2 325.497 1.330 20 0 EDADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657469290 452268149 /nfs/dbraw/zinc/26/81/49/452268149.db2.gz ROUCKQKMNBKSCG-UHFFFAOYSA-N 3 2 329.448 1.845 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000641801143 452274564 /nfs/dbraw/zinc/27/45/64/452274564.db2.gz ALRMTROVXFLIMK-HUUCEWRRSA-N 3 2 336.505 1.108 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NCC12CC(C1)C[NH2+]2 ZINC000659431274 452277709 /nfs/dbraw/zinc/27/77/09/452277709.db2.gz LMYZHKAGYZUEKD-UHFFFAOYSA-N 2 2 329.448 1.623 20 0 EDADLP Nc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000647549328 452277840 /nfs/dbraw/zinc/27/78/40/452277840.db2.gz UGVPIEOCHVUVDG-UHFFFAOYSA-N 2 2 342.443 1.665 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809876 452291788 /nfs/dbraw/zinc/29/17/88/452291788.db2.gz SZWIJDDIYOAOSY-INMHGKMJSA-N 2 2 333.476 1.802 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809876 452291793 /nfs/dbraw/zinc/29/17/93/452291793.db2.gz SZWIJDDIYOAOSY-INMHGKMJSA-N 2 2 333.476 1.802 20 0 EDADLP Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC[NH+]2CCCCC2)cn1 ZINC000639973721 452302197 /nfs/dbraw/zinc/30/21/97/452302197.db2.gz NDALIZBOTQRGHS-KRWDZBQOSA-N 2 2 333.480 1.490 20 0 EDADLP Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CCC[NH+]2CCCCC2)cn1 ZINC000639973721 452302211 /nfs/dbraw/zinc/30/22/11/452302211.db2.gz NDALIZBOTQRGHS-KRWDZBQOSA-N 2 2 333.480 1.490 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000665734933 452304741 /nfs/dbraw/zinc/30/47/41/452304741.db2.gz UYAIGHCGWXZXEO-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000665734933 452304747 /nfs/dbraw/zinc/30/47/47/452304747.db2.gz UYAIGHCGWXZXEO-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP COCCNC(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000641859192 452329270 /nfs/dbraw/zinc/32/92/70/452329270.db2.gz KWXNQGIKRLNROE-UHFFFAOYSA-N 2 2 342.443 1.847 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000638053416 452332022 /nfs/dbraw/zinc/33/20/22/452332022.db2.gz AJBGTGPLNMYOJF-GOSISDBHSA-N 2 2 333.476 1.899 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000638054138 452333110 /nfs/dbraw/zinc/33/31/10/452333110.db2.gz FSLYBXUQRRCQSX-AWEZNQCLSA-N 2 2 332.448 1.204 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000665763799 452349451 /nfs/dbraw/zinc/34/94/51/452349451.db2.gz MCTVLPMAOAOTIL-IRXDYDNUSA-N 3 2 341.544 1.384 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000665763799 452349461 /nfs/dbraw/zinc/34/94/61/452349461.db2.gz MCTVLPMAOAOTIL-IRXDYDNUSA-N 3 2 341.544 1.384 20 0 EDADLP CC[C@H]1C[NH+](CC)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665763799 452349470 /nfs/dbraw/zinc/34/94/70/452349470.db2.gz MCTVLPMAOAOTIL-IRXDYDNUSA-N 3 2 341.544 1.384 20 0 EDADLP CC[C@H]1C[NH+](CC)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665763799 452349473 /nfs/dbraw/zinc/34/94/73/452349473.db2.gz MCTVLPMAOAOTIL-IRXDYDNUSA-N 3 2 341.544 1.384 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(CO)cc2)CC1 ZINC000645393341 452366400 /nfs/dbraw/zinc/36/64/00/452366400.db2.gz PJRVHYBVNUXSQP-UHFFFAOYSA-N 2 2 334.464 1.004 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000665808685 452385514 /nfs/dbraw/zinc/38/55/14/452385514.db2.gz FMVSMLKQDWXXTR-FMKPAKJESA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CS1 ZINC000665808685 452385523 /nfs/dbraw/zinc/38/55/23/452385523.db2.gz FMVSMLKQDWXXTR-FMKPAKJESA-N 2 2 340.537 1.690 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000659526105 452389349 /nfs/dbraw/zinc/38/93/49/452389349.db2.gz KTJYUFUWIOXFLI-YOEHRIQHSA-N 2 2 332.448 1.322 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000638077930 452393496 /nfs/dbraw/zinc/39/34/96/452393496.db2.gz YMLBTDBQCONRKL-SJORKVTESA-N 2 2 341.459 1.575 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000638077930 452393505 /nfs/dbraw/zinc/39/35/05/452393505.db2.gz YMLBTDBQCONRKL-SJORKVTESA-N 2 2 341.459 1.575 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000638079282 452394865 /nfs/dbraw/zinc/39/48/65/452394865.db2.gz LUDINZCAXYUXIJ-AEFFLSMTSA-N 2 2 333.432 1.224 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000654403089 452454195 /nfs/dbraw/zinc/45/41/95/452454195.db2.gz FLAWBXXDOHXIHO-KRWDZBQOSA-N 2 2 345.487 1.990 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000654403089 452454202 /nfs/dbraw/zinc/45/42/02/452454202.db2.gz FLAWBXXDOHXIHO-KRWDZBQOSA-N 2 2 345.487 1.990 20 0 EDADLP Cn1c2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2oc1=O ZINC000665971843 452496588 /nfs/dbraw/zinc/49/65/88/452496588.db2.gz NBWDSAGEKBTVMZ-UHFFFAOYSA-N 2 2 349.435 1.137 20 0 EDADLP Cn1c2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2oc1=O ZINC000665971843 452496597 /nfs/dbraw/zinc/49/65/97/452496597.db2.gz NBWDSAGEKBTVMZ-UHFFFAOYSA-N 2 2 349.435 1.137 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](CCF)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661688544 452497163 /nfs/dbraw/zinc/49/71/63/452497163.db2.gz DCSYBOIXSGWBNT-MRXNPFEDSA-N 2 2 337.439 1.995 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](CCF)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000661688544 452497170 /nfs/dbraw/zinc/49/71/70/452497170.db2.gz DCSYBOIXSGWBNT-MRXNPFEDSA-N 2 2 337.439 1.995 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000655698810 452519881 /nfs/dbraw/zinc/51/98/81/452519881.db2.gz WMNJBIFNNRJHHJ-LMMKCTJWSA-N 3 2 339.524 1.719 20 0 EDADLP FC1(F)Oc2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2O1 ZINC000647800799 452530598 /nfs/dbraw/zinc/53/05/98/452530598.db2.gz KOOXCHHNDDNEAY-HUUCEWRRSA-N 2 2 326.343 1.865 20 0 EDADLP O=C1[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCN1CC(F)(F)F ZINC000655734305 452545727 /nfs/dbraw/zinc/54/57/27/452545727.db2.gz FHVVQRFZQGQUSD-KBPBESRZSA-N 2 2 349.397 1.383 20 0 EDADLP C[NH+](C)CCOc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccn1 ZINC000655736015 452548384 /nfs/dbraw/zinc/54/83/84/452548384.db2.gz CKBIHPMRIVRUIP-GOSISDBHSA-N 3 2 348.491 1.365 20 0 EDADLP CCC(C)(C)OCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000652370661 452558302 /nfs/dbraw/zinc/55/83/02/452558302.db2.gz JFMXWXWTSLRBLA-HNNXBMFYSA-N 2 2 340.512 1.659 20 0 EDADLP CCC(C)(C)OCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000652370661 452558311 /nfs/dbraw/zinc/55/83/11/452558311.db2.gz JFMXWXWTSLRBLA-HNNXBMFYSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661771250 452565305 /nfs/dbraw/zinc/56/53/05/452565305.db2.gz NRBVCTJOGCZXJX-MAUKXSAKSA-N 2 2 347.459 1.303 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661771250 452565316 /nfs/dbraw/zinc/56/53/16/452565316.db2.gz NRBVCTJOGCZXJX-MAUKXSAKSA-N 2 2 347.459 1.303 20 0 EDADLP OCCCN1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655772683 452568718 /nfs/dbraw/zinc/56/87/18/452568718.db2.gz ZYOCZRVNQNOUNE-ZWKOTPCHSA-N 2 2 325.497 1.066 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000663849529 452576702 /nfs/dbraw/zinc/57/67/02/452576702.db2.gz SEXQVRGYQKOMNH-QGZVFWFLSA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000663849529 452576706 /nfs/dbraw/zinc/57/67/06/452576706.db2.gz SEXQVRGYQKOMNH-QGZVFWFLSA-N 3 2 341.544 1.290 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000652411743 452602752 /nfs/dbraw/zinc/60/27/52/452602752.db2.gz MDISYSDUZHVLTA-OAHLLOKOSA-N 2 2 349.479 1.210 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000652411743 452602756 /nfs/dbraw/zinc/60/27/56/452602756.db2.gz MDISYSDUZHVLTA-OAHLLOKOSA-N 2 2 349.479 1.210 20 0 EDADLP O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647873539 452612522 /nfs/dbraw/zinc/61/25/22/452612522.db2.gz XADHKOXUNXVOOQ-CQSZACIVSA-N 2 2 341.452 1.132 20 0 EDADLP O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647873539 452612528 /nfs/dbraw/zinc/61/25/28/452612528.db2.gz XADHKOXUNXVOOQ-CQSZACIVSA-N 2 2 341.452 1.132 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000647874749 452615190 /nfs/dbraw/zinc/61/51/90/452615190.db2.gz URICIAAMQURWEW-AWEZNQCLSA-N 2 2 333.432 1.071 20 0 EDADLP Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647886693 452625241 /nfs/dbraw/zinc/62/52/41/452625241.db2.gz LTFHQLNDQUVSBZ-DLBZAZTESA-N 2 2 331.460 1.516 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000666131384 452627300 /nfs/dbraw/zinc/62/73/00/452627300.db2.gz ALSAYVRRGOSGOC-OAHLLOKOSA-N 2 2 329.404 1.397 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000666131384 452627311 /nfs/dbraw/zinc/62/73/11/452627311.db2.gz ALSAYVRRGOSGOC-OAHLLOKOSA-N 2 2 329.404 1.397 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899231 452638287 /nfs/dbraw/zinc/63/82/87/452638287.db2.gz DRHUKHQODMFNFL-FRFSOERESA-N 2 2 344.459 1.577 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899231 452638296 /nfs/dbraw/zinc/63/82/96/452638296.db2.gz DRHUKHQODMFNFL-FRFSOERESA-N 2 2 344.459 1.577 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)C1CC1 ZINC000663920246 452644845 /nfs/dbraw/zinc/64/48/45/452644845.db2.gz CDAUBPQNYMHOJJ-CQSZACIVSA-N 2 2 337.468 1.263 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)C1CC1 ZINC000663920246 452644857 /nfs/dbraw/zinc/64/48/57/452644857.db2.gz CDAUBPQNYMHOJJ-CQSZACIVSA-N 2 2 337.468 1.263 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)COC1(C)C[NH2+]C1)c1ccc(Cl)cc1 ZINC000647914263 452651023 /nfs/dbraw/zinc/65/10/23/452651023.db2.gz IUECRUQVGTUXDS-HNNXBMFYSA-N 2 2 348.834 1.658 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000652466192 452661894 /nfs/dbraw/zinc/66/18/94/452661894.db2.gz HWQYUBWALCWUHE-UHFFFAOYSA-N 2 2 334.464 1.331 20 0 EDADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccon1 ZINC000647933799 452672984 /nfs/dbraw/zinc/67/29/84/452672984.db2.gz WEPWOGVLVDLKPY-IRXDYDNUSA-N 2 2 342.443 2.285 20 0 EDADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccon1 ZINC000647933799 452672990 /nfs/dbraw/zinc/67/29/90/452672990.db2.gz WEPWOGVLVDLKPY-IRXDYDNUSA-N 2 2 342.443 2.285 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@H]1[NH3+] ZINC000647940376 452681221 /nfs/dbraw/zinc/68/12/21/452681221.db2.gz WECMKKXKVAEMGN-DZGCQCFKSA-N 2 2 333.432 1.846 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@H]1[NH3+] ZINC000647940376 452681230 /nfs/dbraw/zinc/68/12/30/452681230.db2.gz WECMKKXKVAEMGN-DZGCQCFKSA-N 2 2 333.432 1.846 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968293 452712638 /nfs/dbraw/zinc/71/26/38/452712638.db2.gz ZZGIVFRYQHMIHH-HIFRSBDPSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968293 452712646 /nfs/dbraw/zinc/71/26/46/452712646.db2.gz ZZGIVFRYQHMIHH-HIFRSBDPSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968293 452712654 /nfs/dbraw/zinc/71/26/54/452712654.db2.gz ZZGIVFRYQHMIHH-HIFRSBDPSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000647968293 452712662 /nfs/dbraw/zinc/71/26/62/452712662.db2.gz ZZGIVFRYQHMIHH-HIFRSBDPSA-N 2 2 343.493 1.028 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000645787320 452787127 /nfs/dbraw/zinc/78/71/27/452787127.db2.gz GTEXATLSLNBSOU-QGZVFWFLSA-N 2 2 347.459 1.012 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928201 452821412 /nfs/dbraw/zinc/82/14/12/452821412.db2.gz JPAXXYGUFGSDJV-HZPDHXFCSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928201 452821415 /nfs/dbraw/zinc/82/14/15/452821415.db2.gz JPAXXYGUFGSDJV-HZPDHXFCSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928201 452821419 /nfs/dbraw/zinc/82/14/19/452821419.db2.gz JPAXXYGUFGSDJV-HZPDHXFCSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928201 452821424 /nfs/dbraw/zinc/82/14/24/452821424.db2.gz JPAXXYGUFGSDJV-HZPDHXFCSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928202 452821682 /nfs/dbraw/zinc/82/16/82/452821682.db2.gz JPAXXYGUFGSDJV-JKSUJKDBSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928202 452821692 /nfs/dbraw/zinc/82/16/92/452821692.db2.gz JPAXXYGUFGSDJV-JKSUJKDBSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928202 452821703 /nfs/dbraw/zinc/82/17/03/452821703.db2.gz JPAXXYGUFGSDJV-JKSUJKDBSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928202 452821714 /nfs/dbraw/zinc/82/17/14/452821714.db2.gz JPAXXYGUFGSDJV-JKSUJKDBSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1[nH+]ccn1C ZINC000662099102 452839809 /nfs/dbraw/zinc/83/98/09/452839809.db2.gz JOPLNOBTFDZKBZ-NUEKZKHPSA-N 2 2 349.479 1.548 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)c3[nH+]ccn3C)CC2)c1 ZINC000662097827 452840796 /nfs/dbraw/zinc/84/07/96/452840796.db2.gz YCTOZUNAHXZOMU-CYBMUJFWSA-N 2 2 344.419 1.417 20 0 EDADLP CN(C(=O)N[C@H]1CCOC1(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656121607 452878158 /nfs/dbraw/zinc/87/81/58/452878158.db2.gz KEDADOFANKEGEX-CVEARBPZSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)N[C@H]1CCOC1(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656121607 452878166 /nfs/dbraw/zinc/87/81/66/452878166.db2.gz KEDADOFANKEGEX-CVEARBPZSA-N 2 2 338.496 1.364 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000664209521 452882779 /nfs/dbraw/zinc/88/27/79/452882779.db2.gz AWHHGVPEDFEZIY-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000664209521 452882788 /nfs/dbraw/zinc/88/27/88/452882788.db2.gz AWHHGVPEDFEZIY-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662159503 452898508 /nfs/dbraw/zinc/89/85/08/452898508.db2.gz IXIOERZYPUEWIT-MSOLQXFVSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662159503 452898517 /nfs/dbraw/zinc/89/85/17/452898517.db2.gz IXIOERZYPUEWIT-MSOLQXFVSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662161456 452901190 /nfs/dbraw/zinc/90/11/90/452901190.db2.gz USOJBBRLIFVVMR-RTBURBONSA-N 2 2 348.487 1.574 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662161456 452901193 /nfs/dbraw/zinc/90/11/93/452901193.db2.gz USOJBBRLIFVVMR-RTBURBONSA-N 2 2 348.487 1.574 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662161359 452901378 /nfs/dbraw/zinc/90/13/78/452901378.db2.gz SJUAQWHGHMYRBH-RTBURBONSA-N 2 2 348.487 1.574 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662161359 452901382 /nfs/dbraw/zinc/90/13/82/452901382.db2.gz SJUAQWHGHMYRBH-RTBURBONSA-N 2 2 348.487 1.574 20 0 EDADLP c1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC[NH+]3CCOCC3)CC1)CN2 ZINC000650716016 452947997 /nfs/dbraw/zinc/94/79/97/452947997.db2.gz PRTSJUCZMBFLQM-IBGZPJMESA-N 2 2 344.503 1.409 20 0 EDADLP c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CCN3CCOCC3)CC1)CN2 ZINC000650716016 452948006 /nfs/dbraw/zinc/94/80/06/452948006.db2.gz PRTSJUCZMBFLQM-IBGZPJMESA-N 2 2 344.503 1.409 20 0 EDADLP C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256109 452985673 /nfs/dbraw/zinc/98/56/73/452985673.db2.gz GLILFTBMXJJGFK-CQSZACIVSA-N 2 2 325.359 1.356 20 0 EDADLP C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256109 452985682 /nfs/dbraw/zinc/98/56/82/452985682.db2.gz GLILFTBMXJJGFK-CQSZACIVSA-N 2 2 325.359 1.356 20 0 EDADLP C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256108 452985774 /nfs/dbraw/zinc/98/57/74/452985774.db2.gz GLILFTBMXJJGFK-AWEZNQCLSA-N 2 2 325.359 1.356 20 0 EDADLP C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256108 452985783 /nfs/dbraw/zinc/98/57/83/452985783.db2.gz GLILFTBMXJJGFK-AWEZNQCLSA-N 2 2 325.359 1.356 20 0 EDADLP Cn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000656256524 452991620 /nfs/dbraw/zinc/99/16/20/452991620.db2.gz UJVQAAPJYUANAJ-OKZBNKHCSA-N 2 2 334.464 1.483 20 0 EDADLP FC(F)C(F)(F)CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662265683 452995642 /nfs/dbraw/zinc/99/56/42/452995642.db2.gz YMMCVVFYSPPBRW-NSHDSACASA-N 2 2 325.350 1.025 20 0 EDADLP c1[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n2c1CCCC2 ZINC000662283111 453006186 /nfs/dbraw/zinc/00/61/86/453006186.db2.gz QWYHGJNMNTXUBB-WBVHZDCISA-N 3 2 330.476 1.920 20 0 EDADLP c1[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n2c1CCCC2 ZINC000662283111 453006199 /nfs/dbraw/zinc/00/61/99/453006199.db2.gz QWYHGJNMNTXUBB-WBVHZDCISA-N 3 2 330.476 1.920 20 0 EDADLP O=C(c1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1)N1CCCCC1 ZINC000662286765 453012692 /nfs/dbraw/zinc/01/26/92/453012692.db2.gz LITKJZWAOXKTCQ-UHFFFAOYSA-N 2 2 331.460 1.517 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000650828420 453033107 /nfs/dbraw/zinc/03/31/07/453033107.db2.gz HIHZMVZLDCMYPQ-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP COCC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000650828420 453033115 /nfs/dbraw/zinc/03/31/15/453033115.db2.gz HIHZMVZLDCMYPQ-UHFFFAOYSA-N 2 2 343.431 1.450 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C[N@@H+]1C1CC1 ZINC000664366586 453037334 /nfs/dbraw/zinc/03/73/34/453037334.db2.gz AJPCKYGOHGPSGY-NFAWXSAZSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C[N@H+]1C1CC1 ZINC000664366586 453037344 /nfs/dbraw/zinc/03/73/44/453037344.db2.gz AJPCKYGOHGPSGY-NFAWXSAZSA-N 2 2 349.479 1.404 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c1F ZINC000648370677 453039738 /nfs/dbraw/zinc/03/97/38/453039738.db2.gz QCWUUZYTMORZFQ-WMZOPIPTSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c1F ZINC000648370677 453039747 /nfs/dbraw/zinc/03/97/47/453039747.db2.gz QCWUUZYTMORZFQ-WMZOPIPTSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1F ZINC000648370677 453039757 /nfs/dbraw/zinc/03/97/57/453039757.db2.gz QCWUUZYTMORZFQ-WMZOPIPTSA-N 2 2 335.467 1.971 20 0 EDADLP Cc1cccc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)c1F ZINC000648370677 453039769 /nfs/dbraw/zinc/03/97/69/453039769.db2.gz QCWUUZYTMORZFQ-WMZOPIPTSA-N 2 2 335.467 1.971 20 0 EDADLP CC(C)CNC(=O)CCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000660152883 453084282 /nfs/dbraw/zinc/08/42/82/453084282.db2.gz CCEOZCXQQUVOBG-QZTJIDSGSA-N 2 2 338.540 1.497 20 0 EDADLP CC(C)CNC(=O)CCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000660152883 453084289 /nfs/dbraw/zinc/08/42/89/453084289.db2.gz CCEOZCXQQUVOBG-QZTJIDSGSA-N 2 2 338.540 1.497 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cccc2c1C[NH2+]C2 ZINC000662377391 453086362 /nfs/dbraw/zinc/08/63/62/453086362.db2.gz ZXLGBQRVRFIVDL-UHFFFAOYSA-N 2 2 338.411 1.451 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662384632 453095026 /nfs/dbraw/zinc/09/50/26/453095026.db2.gz RDPOKXFTEDCKLA-UHFFFAOYSA-N 2 2 336.505 1.151 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662385065 453095219 /nfs/dbraw/zinc/09/52/19/453095219.db2.gz HQDDXJSCZUZIFJ-UHFFFAOYSA-N 2 2 329.404 1.533 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102950 453103400 /nfs/dbraw/zinc/10/34/00/453103400.db2.gz YKFMMWIWUQHKJS-IAGOWNOFSA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102950 453103408 /nfs/dbraw/zinc/10/34/08/453103408.db2.gz YKFMMWIWUQHKJS-IAGOWNOFSA-N 2 2 337.508 1.963 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000660177288 453105562 /nfs/dbraw/zinc/10/55/62/453105562.db2.gz BVLHSLMCXWAOJF-MSOLQXFVSA-N 2 2 333.476 1.641 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000660177288 453105566 /nfs/dbraw/zinc/10/55/66/453105566.db2.gz BVLHSLMCXWAOJF-MSOLQXFVSA-N 2 2 333.476 1.641 20 0 EDADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104482 453107365 /nfs/dbraw/zinc/10/73/65/453107365.db2.gz FRDQFVFGOGQGRF-IRXDYDNUSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104482 453107369 /nfs/dbraw/zinc/10/73/69/453107369.db2.gz FRDQFVFGOGQGRF-IRXDYDNUSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000664449917 453107537 /nfs/dbraw/zinc/10/75/37/453107537.db2.gz JUUGTPYADRAGBD-MRXNPFEDSA-N 2 2 345.447 1.587 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2ccc(Br)cc2F)[C@H](C[NH3+])C1 ZINC000662427878 453135528 /nfs/dbraw/zinc/13/55/28/453135528.db2.gz DGLKFWLIOHQFGZ-GFCCVEGCSA-N 2 2 344.228 1.232 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC[C@@H]2C)CC1 ZINC000646141429 453150072 /nfs/dbraw/zinc/15/00/72/453150072.db2.gz YDKAZTFKTIICNW-LNLFQRSKSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)CC[C@@H]2C)CC1 ZINC000646141429 453150081 /nfs/dbraw/zinc/15/00/81/453150081.db2.gz YDKAZTFKTIICNW-LNLFQRSKSA-N 2 2 345.487 1.737 20 0 EDADLP CCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664519708 453159590 /nfs/dbraw/zinc/15/95/90/453159590.db2.gz JSUDFRBYBIXQEX-JKSUJKDBSA-N 2 2 331.464 1.786 20 0 EDADLP CCN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664519708 453159594 /nfs/dbraw/zinc/15/95/94/453159594.db2.gz JSUDFRBYBIXQEX-JKSUJKDBSA-N 2 2 331.464 1.786 20 0 EDADLP O=C(NCc1[nH]cc[nH+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662454552 453162625 /nfs/dbraw/zinc/16/26/25/453162625.db2.gz CASTZJDPCMETGY-UHFFFAOYSA-N 2 2 327.207 1.767 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@](C)(C3CC3)C2)CC1 ZINC000664537230 453176502 /nfs/dbraw/zinc/17/65/02/453176502.db2.gz HTOCXMXBXJONBE-SFHVURJKSA-N 2 2 338.496 1.223 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000660289766 453178225 /nfs/dbraw/zinc/17/82/25/453178225.db2.gz VYWAAHGGMRZLJH-SFHVURJKSA-N 2 2 346.475 1.263 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000656474422 453208168 /nfs/dbraw/zinc/20/81/68/453208168.db2.gz VTWRBXFGOVCKAY-IAOVAPTHSA-N 2 2 345.422 1.856 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648726568 453214046 /nfs/dbraw/zinc/21/40/46/453214046.db2.gz WHGHWJXLXNJLMB-NXHRZFHOSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[N@H+]1C ZINC000648726568 453214051 /nfs/dbraw/zinc/21/40/51/453214051.db2.gz WHGHWJXLXNJLMB-NXHRZFHOSA-N 2 2 331.460 1.516 20 0 EDADLP Cc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000664601154 453236332 /nfs/dbraw/zinc/23/63/32/453236332.db2.gz PXQZSJITLQRPRR-QGZVFWFLSA-N 2 2 339.443 1.882 20 0 EDADLP Cc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000664601154 453236341 /nfs/dbraw/zinc/23/63/41/453236341.db2.gz PXQZSJITLQRPRR-QGZVFWFLSA-N 2 2 339.443 1.882 20 0 EDADLP CCCOc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653069664 453248102 /nfs/dbraw/zinc/24/81/02/453248102.db2.gz WLMFHUXJQZBQIQ-HIFRSBDPSA-N 2 2 337.464 1.940 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000666925193 453249841 /nfs/dbraw/zinc/24/98/41/453249841.db2.gz SSRYOLMPTFOQFT-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000666925193 453249845 /nfs/dbraw/zinc/24/98/45/453249845.db2.gz SSRYOLMPTFOQFT-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP CC(C)NC(=O)Nc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653072034 453251156 /nfs/dbraw/zinc/25/11/56/453251156.db2.gz BMTSSMRQQXJALQ-OAHLLOKOSA-N 2 2 335.452 1.112 20 0 EDADLP CN(Cc1csc(Br)c1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653076171 453254536 /nfs/dbraw/zinc/25/45/36/453254536.db2.gz LGUBGWAFCCJXNH-JTQLQIEISA-N 2 2 334.283 1.748 20 0 EDADLP COc1ccc(CC2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)cc1 ZINC000653084129 453264712 /nfs/dbraw/zinc/26/47/12/453264712.db2.gz VPWIGUJRPFOPKV-SFHVURJKSA-N 2 2 333.476 1.755 20 0 EDADLP COc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1Br ZINC000653083919 453264796 /nfs/dbraw/zinc/26/47/96/453264796.db2.gz OSFAWCTYHLPGSE-GFCCVEGCSA-N 2 2 344.253 1.353 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nccn1Cc1ccccc1Cl ZINC000653092258 453275089 /nfs/dbraw/zinc/27/50/89/453275089.db2.gz XMNUXHUHBWEOGQ-AWEZNQCLSA-N 2 2 335.839 1.802 20 0 EDADLP CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc2NC1=O ZINC000653097084 453279737 /nfs/dbraw/zinc/27/97/37/453279737.db2.gz CMUSKVFDYSCMEF-LNSITVRQSA-N 2 2 348.447 1.252 20 0 EDADLP Cc1cc(-c2noc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n2)ccc1F ZINC000653104763 453286364 /nfs/dbraw/zinc/28/63/64/453286364.db2.gz UFWGFXVNBPEGEA-FZMZJTMJSA-N 2 2 349.410 1.640 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+]2CCCC2)c1 ZINC000653105937 453287659 /nfs/dbraw/zinc/28/76/59/453287659.db2.gz NUAHXPUQEAFGLC-MSOLQXFVSA-N 3 2 348.491 1.227 20 0 EDADLP Cn1ccnc1[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(F)cc1 ZINC000653106842 453290286 /nfs/dbraw/zinc/29/02/86/453290286.db2.gz NXLWFKDPRUWPMU-GJZGRUSLSA-N 2 2 333.411 1.044 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]CC3)c[nH+]2)C[C@@H](C)O1 ZINC000653108751 453294032 /nfs/dbraw/zinc/29/40/32/453294032.db2.gz GVGTXXROAPVDMS-BFYDXBDKSA-N 2 2 346.475 1.701 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112872 453300155 /nfs/dbraw/zinc/30/01/55/453300155.db2.gz LWMSFYBADFFOFV-MSOLQXFVSA-N 2 2 329.444 1.988 20 0 EDADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000653117765 453306858 /nfs/dbraw/zinc/30/68/58/453306858.db2.gz VMJXYSITMIRAHN-GOSISDBHSA-N 3 2 332.492 1.388 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662586828 453313509 /nfs/dbraw/zinc/31/35/09/453313509.db2.gz OXHHGPKJNVEDHY-HKUYNNGSSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662586828 453313514 /nfs/dbraw/zinc/31/35/14/453313514.db2.gz OXHHGPKJNVEDHY-HKUYNNGSSA-N 2 2 349.519 1.868 20 0 EDADLP CN1CC(=O)N(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000660481123 453337101 /nfs/dbraw/zinc/33/71/01/453337101.db2.gz IZTIEVSXTSYOBI-CQSZACIVSA-N 2 2 345.447 1.293 20 0 EDADLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1C(=O)N(C)C(C)C ZINC000653155394 453344310 /nfs/dbraw/zinc/34/43/10/453344310.db2.gz RRBTUWHKPLPLMG-INIZCTEOSA-N 2 2 334.464 1.693 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000648877690 453352924 /nfs/dbraw/zinc/35/29/24/453352924.db2.gz RIHPGRQJNWYMLR-AWEZNQCLSA-N 2 2 344.463 1.915 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000655241509 453359765 /nfs/dbraw/zinc/35/97/65/453359765.db2.gz NSTTVXWNMHZUJV-HGTKMLMNSA-N 2 2 334.464 1.368 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000655241509 453359770 /nfs/dbraw/zinc/35/97/70/453359770.db2.gz NSTTVXWNMHZUJV-HGTKMLMNSA-N 2 2 334.464 1.368 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000653168696 453360149 /nfs/dbraw/zinc/36/01/49/453360149.db2.gz NALNSDBSAKDPKQ-KRWDZBQOSA-N 2 2 337.439 1.612 20 0 EDADLP C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CCO1 ZINC000667060351 453376405 /nfs/dbraw/zinc/37/64/05/453376405.db2.gz OGULJNMQBUXHNR-SWLSCSKDSA-N 2 2 329.404 1.667 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000662671472 453387587 /nfs/dbraw/zinc/38/75/87/453387587.db2.gz UEWGGUDWOGEDQY-ROUUACIJSA-N 2 2 347.459 1.093 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662693603 453414838 /nfs/dbraw/zinc/41/48/38/453414838.db2.gz KFDYJIIVHULCQJ-UHFFFAOYSA-N 2 2 340.427 1.887 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCn3c[nH+]cc3C2)cc1Cl ZINC000660582490 453420822 /nfs/dbraw/zinc/42/08/22/453420822.db2.gz RFXQBLKULZWJPX-UHFFFAOYSA-N 2 2 347.806 1.480 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCn3c[nH+]cc3C2)cc1Cl ZINC000660582490 453420827 /nfs/dbraw/zinc/42/08/27/453420827.db2.gz RFXQBLKULZWJPX-UHFFFAOYSA-N 2 2 347.806 1.480 20 0 EDADLP O=C(NCC12CC(C1)C[NH2+]2)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000662721060 453445987 /nfs/dbraw/zinc/44/59/87/453445987.db2.gz PTDOBBMSTUXQGS-HQVVEAJESA-N 2 2 331.485 1.645 20 0 EDADLP Cc1nc(-c2ccc(C)c(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2)n[nH]1 ZINC000667174495 453452978 /nfs/dbraw/zinc/45/29/78/453452978.db2.gz HLBIHXPICASFFT-AWEZNQCLSA-N 2 2 343.435 1.195 20 0 EDADLP Cc1cccn2cc(CNC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)[nH+]c12 ZINC000662727231 453453843 /nfs/dbraw/zinc/45/38/43/453453843.db2.gz MJTQOCBEFIDILQ-CQSZACIVSA-N 2 2 326.322 1.801 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000662749232 453479482 /nfs/dbraw/zinc/47/94/82/453479482.db2.gz ATSWCIJZRLKOLD-MLGOLLRUSA-N 2 2 339.386 1.145 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000660695150 453519353 /nfs/dbraw/zinc/51/93/53/453519353.db2.gz DFFNCCNFLUSQPQ-UHFFFAOYSA-N 2 2 338.500 1.043 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442985 453530809 /nfs/dbraw/zinc/53/08/09/453530809.db2.gz ISXAIHDFWRIXEN-IEBWSBKVSA-N 2 2 329.444 1.847 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662795969 453530824 /nfs/dbraw/zinc/53/08/24/453530824.db2.gz SVKAQGDNQUHRSE-BXUZGUMPSA-N 2 2 328.338 1.319 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000660710885 453539247 /nfs/dbraw/zinc/53/92/47/453539247.db2.gz CPYRVVDEFPURDR-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000660710885 453539250 /nfs/dbraw/zinc/53/92/50/453539250.db2.gz CPYRVVDEFPURDR-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662899450 453594516 /nfs/dbraw/zinc/59/45/16/453594516.db2.gz DCVPKGWIIMWKJW-HNAYVOBHSA-N 3 2 344.503 1.947 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662899450 453594518 /nfs/dbraw/zinc/59/45/18/453594518.db2.gz DCVPKGWIIMWKJW-HNAYVOBHSA-N 3 2 344.503 1.947 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000665221362 453612577 /nfs/dbraw/zinc/61/25/77/453612577.db2.gz CVUXSRRNIZNIGG-KRWDZBQOSA-N 2 2 340.512 1.374 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000665221362 453612582 /nfs/dbraw/zinc/61/25/82/453612582.db2.gz CVUXSRRNIZNIGG-KRWDZBQOSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290937 453638036 /nfs/dbraw/zinc/63/80/36/453638036.db2.gz PFAXGRSCNAKRLB-PBHICJAKSA-N 3 2 341.459 1.641 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290937 453638038 /nfs/dbraw/zinc/63/80/38/453638038.db2.gz PFAXGRSCNAKRLB-PBHICJAKSA-N 3 2 341.459 1.641 20 0 EDADLP Cc1nc(C)c(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000657071181 453660756 /nfs/dbraw/zinc/66/07/56/453660756.db2.gz IKTFCIFBNITCSZ-NSHDSACASA-N 2 2 348.538 1.310 20 0 EDADLP Cc1nc(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000657071181 453660761 /nfs/dbraw/zinc/66/07/61/453660761.db2.gz IKTFCIFBNITCSZ-NSHDSACASA-N 2 2 348.538 1.310 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661047105 453694868 /nfs/dbraw/zinc/69/48/68/453694868.db2.gz ZAKOHVMBOWACQY-HUUCEWRRSA-N 2 2 331.464 1.904 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661047105 453694870 /nfs/dbraw/zinc/69/48/70/453694870.db2.gz ZAKOHVMBOWACQY-HUUCEWRRSA-N 2 2 331.464 1.904 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)cc1 ZINC000665463342 453703144 /nfs/dbraw/zinc/70/31/44/453703144.db2.gz DIBQFTJZCKXBTN-SOLBZPMBSA-N 2 2 329.444 1.290 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)cc1 ZINC000665463342 453703146 /nfs/dbraw/zinc/70/31/46/453703146.db2.gz DIBQFTJZCKXBTN-SOLBZPMBSA-N 2 2 329.444 1.290 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000665463342 453703150 /nfs/dbraw/zinc/70/31/50/453703150.db2.gz DIBQFTJZCKXBTN-SOLBZPMBSA-N 2 2 329.444 1.290 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000665463342 453703153 /nfs/dbraw/zinc/70/31/53/453703153.db2.gz DIBQFTJZCKXBTN-SOLBZPMBSA-N 2 2 329.444 1.290 20 0 EDADLP CN(CC[NH+]1CCCC1)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000665619032 453768868 /nfs/dbraw/zinc/76/88/68/453768868.db2.gz LQQXBZYEQQANIQ-UHFFFAOYSA-N 2 2 331.464 1.919 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363821 453779972 /nfs/dbraw/zinc/77/99/72/453779972.db2.gz NCOBTNWPMVFEAQ-UXHICEINSA-N 3 2 347.503 1.322 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363821 453779975 /nfs/dbraw/zinc/77/99/75/453779975.db2.gz NCOBTNWPMVFEAQ-UXHICEINSA-N 3 2 347.503 1.322 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663431710 453796651 /nfs/dbraw/zinc/79/66/51/453796651.db2.gz NIHYNYSBZUHQCY-OAHLLOKOSA-N 2 2 336.480 1.939 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663431710 453796654 /nfs/dbraw/zinc/79/66/54/453796654.db2.gz NIHYNYSBZUHQCY-OAHLLOKOSA-N 2 2 336.480 1.939 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000663448121 453801219 /nfs/dbraw/zinc/80/12/19/453801219.db2.gz LJTJCEWOWBPHEK-UHFFFAOYSA-N 3 2 341.544 1.434 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000663448121 453801221 /nfs/dbraw/zinc/80/12/21/453801221.db2.gz LJTJCEWOWBPHEK-UHFFFAOYSA-N 3 2 341.544 1.434 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NC1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CC2 ZINC000679899146 486667024 /nfs/dbraw/zinc/66/70/24/486667024.db2.gz NGEGBEBLRNQDCG-JKSUJKDBSA-N 2 2 347.463 1.095 20 0 EDADLP c1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000683382647 486702532 /nfs/dbraw/zinc/70/25/32/486702532.db2.gz BEPFMLMGAVVXFS-OAHLLOKOSA-N 2 2 349.504 1.331 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cn21 ZINC000676245076 486704886 /nfs/dbraw/zinc/70/48/86/486704886.db2.gz DPOUKSVIBUHTEM-DZGCQCFKSA-N 2 2 331.420 1.161 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cn21 ZINC000676245076 486704889 /nfs/dbraw/zinc/70/48/89/486704889.db2.gz DPOUKSVIBUHTEM-DZGCQCFKSA-N 2 2 331.420 1.161 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[N@H+](C)C1 ZINC000413960142 486709236 /nfs/dbraw/zinc/70/92/36/486709236.db2.gz UBQCQFJKEDMWGO-SZMVWBNQSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[N@@H+](C)C1 ZINC000413960142 486709239 /nfs/dbraw/zinc/70/92/39/486709239.db2.gz UBQCQFJKEDMWGO-SZMVWBNQSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C1 ZINC000413960142 486709240 /nfs/dbraw/zinc/70/92/40/486709240.db2.gz UBQCQFJKEDMWGO-SZMVWBNQSA-N 2 2 331.460 1.438 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C1 ZINC000413960142 486709243 /nfs/dbraw/zinc/70/92/43/486709243.db2.gz UBQCQFJKEDMWGO-SZMVWBNQSA-N 2 2 331.460 1.438 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683421887 486715296 /nfs/dbraw/zinc/71/52/96/486715296.db2.gz WFTSDIJMEONMKP-HNNXBMFYSA-N 2 2 333.436 1.094 20 0 EDADLP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000667558134 486844142 /nfs/dbraw/zinc/84/41/42/486844142.db2.gz WMEVBVLVAXAGSK-LBPRGKRZSA-N 2 2 341.415 1.288 20 0 EDADLP O=C1CCCN1C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667597140 486866859 /nfs/dbraw/zinc/86/68/59/486866859.db2.gz BXTMIOIJLLIGII-UHFFFAOYSA-N 2 2 325.416 1.854 20 0 EDADLP COc1cccnc1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673001947 486872385 /nfs/dbraw/zinc/87/23/85/486872385.db2.gz XBNJPXWARXTBFB-MRXNPFEDSA-N 2 2 346.475 1.260 20 0 EDADLP COc1cccnc1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673001947 486872390 /nfs/dbraw/zinc/87/23/90/486872390.db2.gz XBNJPXWARXTBFB-MRXNPFEDSA-N 2 2 346.475 1.260 20 0 EDADLP CN(C(=O)Cn1cc(Cl)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673002084 486872543 /nfs/dbraw/zinc/87/25/43/486872543.db2.gz ZQDCSVCMOMRYSX-OAHLLOKOSA-N 2 2 339.871 1.163 20 0 EDADLP CN(C(=O)Cn1cc(Cl)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673002084 486872546 /nfs/dbraw/zinc/87/25/46/486872546.db2.gz ZQDCSVCMOMRYSX-OAHLLOKOSA-N 2 2 339.871 1.163 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000667816468 486980300 /nfs/dbraw/zinc/98/03/00/486980300.db2.gz UMMFXTJENKVGJQ-IEBWSBKVSA-N 2 2 345.487 1.703 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000667816468 486980303 /nfs/dbraw/zinc/98/03/03/486980303.db2.gz UMMFXTJENKVGJQ-IEBWSBKVSA-N 2 2 345.487 1.703 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000673770263 487109034 /nfs/dbraw/zinc/10/90/34/487109034.db2.gz IMHUQVTXMXEYJN-OAHLLOKOSA-N 2 2 341.459 1.969 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NC[C@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000673770263 487109037 /nfs/dbraw/zinc/10/90/37/487109037.db2.gz IMHUQVTXMXEYJN-OAHLLOKOSA-N 2 2 341.459 1.969 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673858930 487134990 /nfs/dbraw/zinc/13/49/90/487134990.db2.gz IGYGTEUJXFGHPF-CYBMUJFWSA-N 2 2 330.392 1.110 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000677985400 487220464 /nfs/dbraw/zinc/22/04/64/487220464.db2.gz YEXMRCGJTWVSIY-FUHWJXTLSA-N 2 2 335.492 1.288 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000677985400 487220466 /nfs/dbraw/zinc/22/04/66/487220466.db2.gz YEXMRCGJTWVSIY-FUHWJXTLSA-N 2 2 335.492 1.288 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000677985400 487220468 /nfs/dbraw/zinc/22/04/68/487220468.db2.gz YEXMRCGJTWVSIY-FUHWJXTLSA-N 2 2 335.492 1.288 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000677985400 487220470 /nfs/dbraw/zinc/22/04/70/487220470.db2.gz YEXMRCGJTWVSIY-FUHWJXTLSA-N 2 2 335.492 1.288 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000678065675 487237863 /nfs/dbraw/zinc/23/78/63/487237863.db2.gz DCRRIOARPSESPR-QKPAOTATSA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000678065675 487237868 /nfs/dbraw/zinc/23/78/68/487237868.db2.gz DCRRIOARPSESPR-QKPAOTATSA-N 2 2 338.496 1.410 20 0 EDADLP c1cc2n(n1)C[C@H](C[NH2+]CC1(C[NH+]3CCOCC3)CCCCC1)CN2 ZINC000674375676 487247258 /nfs/dbraw/zinc/24/72/58/487247258.db2.gz UWONTTFMKMJTSU-QGZVFWFLSA-N 2 2 347.507 1.797 20 0 EDADLP c1n[nH]cc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000685442002 487275060 /nfs/dbraw/zinc/27/50/60/487275060.db2.gz XEPHNJAXYLYJLP-LJQANCHMSA-N 2 2 325.460 1.802 20 0 EDADLP c1n[nH]cc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000685442002 487275063 /nfs/dbraw/zinc/27/50/63/487275063.db2.gz XEPHNJAXYLYJLP-LJQANCHMSA-N 2 2 325.460 1.802 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674721657 487305322 /nfs/dbraw/zinc/30/53/22/487305322.db2.gz FZELVDCORMQOPK-CRAIPNDOSA-N 2 2 330.476 1.984 20 0 EDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000674721657 487305326 /nfs/dbraw/zinc/30/53/26/487305326.db2.gz FZELVDCORMQOPK-CRAIPNDOSA-N 2 2 330.476 1.984 20 0 EDADLP C[C@H]([NH2+]CCC1CS(=O)(=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000682498203 487376450 /nfs/dbraw/zinc/37/64/50/487376450.db2.gz LHVRUCZCFIOJSZ-MAUKXSAKSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H]([NH2+]CCC1CS(=O)(=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000682498203 487376453 /nfs/dbraw/zinc/37/64/53/487376453.db2.gz LHVRUCZCFIOJSZ-MAUKXSAKSA-N 2 2 336.501 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCCOCC[NH+](C)C)[nH+]c12 ZINC000682613859 487397559 /nfs/dbraw/zinc/39/75/59/487397559.db2.gz MTTWSLCGNWWLCK-UHFFFAOYSA-N 2 2 333.436 1.063 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC000679391849 487421224 /nfs/dbraw/zinc/42/12/24/487421224.db2.gz ATFIAMOBNFAKNR-LJQANCHMSA-N 2 2 333.476 1.619 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC000679391849 487421225 /nfs/dbraw/zinc/42/12/25/487421225.db2.gz ATFIAMOBNFAKNR-LJQANCHMSA-N 2 2 333.476 1.619 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3CCSCC3)C2)CC1 ZINC000675566994 487423451 /nfs/dbraw/zinc/42/34/51/487423451.db2.gz DNVSGCFCRHFXPO-OAHLLOKOSA-N 2 2 325.522 1.804 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3CCSCC3)C2)CC1 ZINC000675566994 487423453 /nfs/dbraw/zinc/42/34/53/487423453.db2.gz DNVSGCFCRHFXPO-OAHLLOKOSA-N 2 2 325.522 1.804 20 0 EDADLP CCn1ccc(C[N@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000683028884 487443666 /nfs/dbraw/zinc/44/36/66/487443666.db2.gz CSJALEOTGYWQQX-UHFFFAOYSA-N 2 2 344.459 1.877 20 0 EDADLP CCn1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000683028884 487443669 /nfs/dbraw/zinc/44/36/69/487443669.db2.gz CSJALEOTGYWQQX-UHFFFAOYSA-N 2 2 344.459 1.877 20 0 EDADLP [NH3+]C/C=C\CNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000669523936 485492145 /nfs/dbraw/zinc/49/21/45/485492145.db2.gz PQWUHSVZIKNYDT-PLNGDYQASA-N 2 2 327.432 1.830 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000668992982 485530772 /nfs/dbraw/zinc/53/07/72/485530772.db2.gz RVOUOMDQTMNOEK-SOUVJXGZSA-N 2 2 327.432 1.564 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nc12 ZINC000324362287 485544923 /nfs/dbraw/zinc/54/49/23/485544923.db2.gz IMWHRTHJMACYKM-DOTOQJQBSA-N 2 2 326.444 1.967 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)nc12 ZINC000324362287 485544932 /nfs/dbraw/zinc/54/49/32/485544932.db2.gz IMWHRTHJMACYKM-DOTOQJQBSA-N 2 2 326.444 1.967 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)NCC3C[NH2+]C3)ccc2n1C1CC1 ZINC000669582144 485629637 /nfs/dbraw/zinc/62/96/37/485629637.db2.gz LWXDWGZHDBKPJF-UHFFFAOYSA-N 2 2 327.432 1.952 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000238096978 485793204 /nfs/dbraw/zinc/79/32/04/485793204.db2.gz UNFVGVUVRRRSIE-INIZCTEOSA-N 2 2 335.473 1.552 20 0 EDADLP Cc1noc2ncnc(N3CC[NH+](C4CC[NH+](C(C)C)CC4)CC3)c12 ZINC000669654912 485988154 /nfs/dbraw/zinc/98/81/54/485988154.db2.gz PIAJJUJTZAQCCI-UHFFFAOYSA-N 2 2 344.463 1.921 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000237913656 486017606 /nfs/dbraw/zinc/01/76/06/486017606.db2.gz BSLPNSGSSITNET-JKSUJKDBSA-N 2 2 327.432 1.106 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266963010 486046789 /nfs/dbraw/zinc/04/67/89/486046789.db2.gz XGQXQCDFBNYEKH-TZMCWYRMSA-N 2 2 341.415 1.715 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266963010 486046791 /nfs/dbraw/zinc/04/67/91/486046791.db2.gz XGQXQCDFBNYEKH-TZMCWYRMSA-N 2 2 341.415 1.715 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC000202939496 486110073 /nfs/dbraw/zinc/11/00/73/486110073.db2.gz JYJKZAWRBLESMB-UHFFFAOYSA-N 2 2 325.497 1.819 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(-c2cccnc2)n1 ZINC000668741160 486113359 /nfs/dbraw/zinc/11/33/59/486113359.db2.gz OGMKEOXBGIYNBK-GOSISDBHSA-N 2 2 341.459 1.513 20 0 EDADLP Cn1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(-c2cccnc2)n1 ZINC000668741160 486113360 /nfs/dbraw/zinc/11/33/60/486113360.db2.gz OGMKEOXBGIYNBK-GOSISDBHSA-N 2 2 341.459 1.513 20 0 EDADLP OC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000668755145 486154846 /nfs/dbraw/zinc/15/48/46/486154846.db2.gz PEOVXCKDRCLAEB-WMLDXEAASA-N 2 2 326.387 1.841 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)[nH+]c12 ZINC000669511977 486294645 /nfs/dbraw/zinc/29/46/45/486294645.db2.gz PYHXNPGEIBMWDP-GASCZTMLSA-N 2 2 327.432 1.721 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000668889105 486307161 /nfs/dbraw/zinc/30/71/61/486307161.db2.gz OEKGRSFJNNRNLL-HNNXBMFYSA-N 2 2 333.411 1.947 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000668889013 486307183 /nfs/dbraw/zinc/30/71/83/486307183.db2.gz BQKLQVZUCVWFJJ-IUODEOHRSA-N 2 2 331.395 1.700 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000392011492 486545360 /nfs/dbraw/zinc/54/53/60/486545360.db2.gz SCHOKFPPVAXKMR-OAHLLOKOSA-N 2 2 342.365 1.709 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000670081343 486607716 /nfs/dbraw/zinc/60/77/16/486607716.db2.gz JYZMZGDFSDPYFU-UHFFFAOYSA-N 2 2 327.432 1.823 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000670081343 486607720 /nfs/dbraw/zinc/60/77/20/486607720.db2.gz JYZMZGDFSDPYFU-UHFFFAOYSA-N 2 2 327.432 1.823 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000133116954 491219566 /nfs/dbraw/zinc/21/95/66/491219566.db2.gz FGNCMZJEWATNQU-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000133116954 491219567 /nfs/dbraw/zinc/21/95/67/491219567.db2.gz FGNCMZJEWATNQU-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)[nH]1 ZINC000653134732 491000394 /nfs/dbraw/zinc/00/03/94/491000394.db2.gz JCMBLCXCDXDDLK-KBPBESRZSA-N 2 2 326.404 1.400 20 0 EDADLP CC[C@H](C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(=O)OC ZINC000281437315 500730842 /nfs/dbraw/zinc/73/08/42/500730842.db2.gz SYSRLERIHMSNGC-DOTOQJQBSA-N 2 2 349.475 1.679 20 0 EDADLP CC[C@H](C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(=O)OC ZINC000281437315 500730843 /nfs/dbraw/zinc/73/08/43/500730843.db2.gz SYSRLERIHMSNGC-DOTOQJQBSA-N 2 2 349.475 1.679 20 0 EDADLP NC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000299551546 501033067 /nfs/dbraw/zinc/03/30/67/501033067.db2.gz LBUTUBMRXYMMCZ-UHFFFAOYSA-N 2 2 349.232 1.605 20 0 EDADLP O=C(C[N@@H+]1CCCN(Cc2cccc3[nH+]ccn32)CC1)N1CCCC1 ZINC000179676340 534531859 /nfs/dbraw/zinc/53/18/59/534531859.db2.gz FUCSKCFSCLNRQH-UHFFFAOYSA-N 2 2 341.459 1.464 20 0 EDADLP O=C(C[N@H+]1CCCN(Cc2cccc3[nH+]ccn32)CC1)N1CCCC1 ZINC000179676340 534531867 /nfs/dbraw/zinc/53/18/67/534531867.db2.gz FUCSKCFSCLNRQH-UHFFFAOYSA-N 2 2 341.459 1.464 20 0 EDADLP Cn1ncc(Cl)c1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000132202427 534830212 /nfs/dbraw/zinc/83/02/12/534830212.db2.gz XILGADJKYWAWHH-GOEBONIOSA-N 2 2 326.872 1.931 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC(F)(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000262000759 527430091 /nfs/dbraw/zinc/43/00/91/527430091.db2.gz ZYDFELLFHDFGCT-NSHDSACASA-N 2 2 330.354 1.843 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000130826628 528995783 /nfs/dbraw/zinc/99/57/83/528995783.db2.gz SIWPSRDAGVLSFQ-LJQANCHMSA-N 2 2 345.487 1.567 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000130826628 528995788 /nfs/dbraw/zinc/99/57/88/528995788.db2.gz SIWPSRDAGVLSFQ-LJQANCHMSA-N 2 2 345.487 1.567 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)C(C)C ZINC000345671078 535068798 /nfs/dbraw/zinc/06/87/98/535068798.db2.gz VKKGYZCMWKGKKN-JKSUJKDBSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)C(C)C ZINC000345671078 535068801 /nfs/dbraw/zinc/06/88/01/535068801.db2.gz VKKGYZCMWKGKKN-JKSUJKDBSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C1 ZINC000332585635 535114024 /nfs/dbraw/zinc/11/40/24/535114024.db2.gz JSVAKHXQQFODNB-HNNXBMFYSA-N 2 2 333.432 1.578 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C1 ZINC000332585635 535114027 /nfs/dbraw/zinc/11/40/27/535114027.db2.gz JSVAKHXQQFODNB-HNNXBMFYSA-N 2 2 333.432 1.578 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000347715663 535232954 /nfs/dbraw/zinc/23/29/54/535232954.db2.gz JAJYYEZAEXXUJV-QGZVFWFLSA-N 2 2 345.491 1.246 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000347715663 535232962 /nfs/dbraw/zinc/23/29/62/535232962.db2.gz JAJYYEZAEXXUJV-QGZVFWFLSA-N 2 2 345.491 1.246 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000236999935 535347647 /nfs/dbraw/zinc/34/76/47/535347647.db2.gz AYLGRPMWNXXPMF-HZPDHXFCSA-N 2 2 346.431 1.770 20 0 EDADLP CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346311615 535496894 /nfs/dbraw/zinc/49/68/94/535496894.db2.gz DLGKHIHAIKTCBS-AWEZNQCLSA-N 2 2 340.474 1.447 20 0 EDADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000346311615 535496897 /nfs/dbraw/zinc/49/68/97/535496897.db2.gz DLGKHIHAIKTCBS-AWEZNQCLSA-N 2 2 340.474 1.447 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000246366530 535525827 /nfs/dbraw/zinc/52/58/27/535525827.db2.gz IYRVQDMIPCFAJZ-PMPSAXMXSA-N 2 2 332.510 1.290 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000246366530 535525834 /nfs/dbraw/zinc/52/58/34/535525834.db2.gz IYRVQDMIPCFAJZ-PMPSAXMXSA-N 2 2 332.510 1.290 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249700750 535564524 /nfs/dbraw/zinc/56/45/24/535564524.db2.gz XXAFKUYDFUUHBP-TWMKSMIVSA-N 2 2 325.497 1.721 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249700750 535564529 /nfs/dbraw/zinc/56/45/29/535564529.db2.gz XXAFKUYDFUUHBP-TWMKSMIVSA-N 2 2 325.497 1.721 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249700750 535564532 /nfs/dbraw/zinc/56/45/32/535564532.db2.gz XXAFKUYDFUUHBP-TWMKSMIVSA-N 2 2 325.497 1.721 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249700750 535564537 /nfs/dbraw/zinc/56/45/37/535564537.db2.gz XXAFKUYDFUUHBP-TWMKSMIVSA-N 2 2 325.497 1.721 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000346116354 535587049 /nfs/dbraw/zinc/58/70/49/535587049.db2.gz FWOIGPBUSFEADA-INIZCTEOSA-N 2 2 333.480 1.050 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000346942202 535643990 /nfs/dbraw/zinc/64/39/90/535643990.db2.gz JXSOOSRIHTYCKX-HIFRSBDPSA-N 2 2 340.493 1.457 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000262183214 535649834 /nfs/dbraw/zinc/64/98/34/535649834.db2.gz IYNRXUXMFWESPO-LPHOPBHVSA-N 2 2 346.475 1.258 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000353277705 536075456 /nfs/dbraw/zinc/07/54/56/536075456.db2.gz VHMVQFMJQYPLFB-UHFFFAOYSA-N 2 2 346.479 1.067 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000346019129 536346038 /nfs/dbraw/zinc/34/60/38/536346038.db2.gz TZZFFTHEIFKASB-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000124387633 536363331 /nfs/dbraw/zinc/36/33/31/536363331.db2.gz JWQVKZCNUKQMTE-UHFFFAOYSA-N 2 2 325.416 1.842 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000124387633 536363333 /nfs/dbraw/zinc/36/33/33/536363333.db2.gz JWQVKZCNUKQMTE-UHFFFAOYSA-N 2 2 325.416 1.842 20 0 EDADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261790621 536412289 /nfs/dbraw/zinc/41/22/89/536412289.db2.gz QHULLUFFWWGHNQ-INIZCTEOSA-N 2 2 344.459 1.826 20 0 EDADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261790621 536412291 /nfs/dbraw/zinc/41/22/91/536412291.db2.gz QHULLUFFWWGHNQ-INIZCTEOSA-N 2 2 344.459 1.826 20 0 EDADLP COc1cc(CN2CC[C@H]([NH2+][C@H]3C[N@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000344900832 536772169 /nfs/dbraw/zinc/77/21/69/536772169.db2.gz GTUMNAHRSYFCAI-ALKREAHSSA-N 2 2 333.476 1.818 20 0 EDADLP COc1cc(CN2CC[C@H]([NH2+][C@H]3C[N@@H+](C)C[C@H]3C)C2)cc(OC)c1 ZINC000344900832 536772173 /nfs/dbraw/zinc/77/21/73/536772173.db2.gz GTUMNAHRSYFCAI-ALKREAHSSA-N 2 2 333.476 1.818 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000725897065 578301831 /nfs/dbraw/zinc/30/18/31/578301831.db2.gz QCJDIQHGOVSGBB-GJZGRUSLSA-N 2 2 342.443 1.578 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000726247337 578337779 /nfs/dbraw/zinc/33/77/79/578337779.db2.gz YJRIJBAHUCCQAK-AWEZNQCLSA-N 2 2 330.436 1.797 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000726257527 578339568 /nfs/dbraw/zinc/33/95/68/578339568.db2.gz RZDCUUVOWZRPRA-WBVHZDCISA-N 2 2 334.464 1.309 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000726257527 578339569 /nfs/dbraw/zinc/33/95/69/578339569.db2.gz RZDCUUVOWZRPRA-WBVHZDCISA-N 2 2 334.464 1.309 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000726257136 578339606 /nfs/dbraw/zinc/33/96/06/578339606.db2.gz QCQSVMXQCOMDOW-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC1CC[NH+](CCCNC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000726257136 578339607 /nfs/dbraw/zinc/33/96/07/578339607.db2.gz QCQSVMXQCOMDOW-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000726259915 578340603 /nfs/dbraw/zinc/34/06/03/578340603.db2.gz VNARHJSDQLUIMB-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000726259915 578340604 /nfs/dbraw/zinc/34/06/04/578340604.db2.gz VNARHJSDQLUIMB-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726259915 578340605 /nfs/dbraw/zinc/34/06/05/578340605.db2.gz VNARHJSDQLUIMB-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726259915 578340606 /nfs/dbraw/zinc/34/06/06/578340606.db2.gz VNARHJSDQLUIMB-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000729925852 578601856 /nfs/dbraw/zinc/60/18/56/578601856.db2.gz WMCOLYQCILZMKI-HOTGVXAUSA-N 2 2 325.416 1.966 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000729925852 578601857 /nfs/dbraw/zinc/60/18/57/578601857.db2.gz WMCOLYQCILZMKI-HOTGVXAUSA-N 2 2 325.416 1.966 20 0 EDADLP CC(C)n1ccnc1CN1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000729929242 578604210 /nfs/dbraw/zinc/60/42/10/578604210.db2.gz KCEHYGDKZXJIEM-SFHVURJKSA-N 2 2 349.523 1.428 20 0 EDADLP CC(C)n1ccnc1CN1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000729929242 578604211 /nfs/dbraw/zinc/60/42/11/578604211.db2.gz KCEHYGDKZXJIEM-SFHVURJKSA-N 2 2 349.523 1.428 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736143907 578957359 /nfs/dbraw/zinc/95/73/59/578957359.db2.gz MDXPTYXMMQJDQE-ZDUSSCGKSA-N 2 2 330.436 1.144 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736143907 578957360 /nfs/dbraw/zinc/95/73/60/578957360.db2.gz MDXPTYXMMQJDQE-ZDUSSCGKSA-N 2 2 330.436 1.144 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCOc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC000736228527 578966402 /nfs/dbraw/zinc/96/64/02/578966402.db2.gz ODTQQLIFXXKBKC-DZGCQCFKSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCOc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC000736228527 578966403 /nfs/dbraw/zinc/96/64/03/578966403.db2.gz ODTQQLIFXXKBKC-DZGCQCFKSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCOc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC000736228527 578966404 /nfs/dbraw/zinc/96/64/04/578966404.db2.gz ODTQQLIFXXKBKC-DZGCQCFKSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCOc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC000736228527 578966405 /nfs/dbraw/zinc/96/64/05/578966405.db2.gz ODTQQLIFXXKBKC-DZGCQCFKSA-N 2 2 330.436 1.660 20 0 EDADLP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3COC4(CCOCC4)O3)CC2)nc1 ZINC000777311290 580439018 /nfs/dbraw/zinc/43/90/18/580439018.db2.gz BECCIJSRXATFLG-SFHVURJKSA-N 2 2 347.459 1.558 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000745789931 579562460 /nfs/dbraw/zinc/56/24/60/579562460.db2.gz VOGNDRBJBZBJPW-HIFRSBDPSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000745789931 579562461 /nfs/dbraw/zinc/56/24/61/579562461.db2.gz VOGNDRBJBZBJPW-HIFRSBDPSA-N 2 2 328.420 1.549 20 0 EDADLP CC[C@@H](C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1)[NH+](CC)CC ZINC000746303706 579586007 /nfs/dbraw/zinc/58/60/07/579586007.db2.gz RUURZGCNITZNHX-KGLIPLIRSA-N 2 2 326.510 1.742 20 0 EDADLP Cn1ccnc1[C@](O)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000777573871 580445404 /nfs/dbraw/zinc/44/54/04/580445404.db2.gz ZGXSPWUNRVOPRD-SGMGOOAPSA-N 2 2 332.370 1.386 20 0 EDADLP Cn1ccnc1[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F ZINC000777573871 580445405 /nfs/dbraw/zinc/44/54/05/580445405.db2.gz ZGXSPWUNRVOPRD-SGMGOOAPSA-N 2 2 332.370 1.386 20 0 EDADLP C[N@@H+]1CCN(C(=S)NCC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000747755237 579657177 /nfs/dbraw/zinc/65/71/77/579657177.db2.gz FQMKTPAALTWQIP-QGZVFWFLSA-N 2 2 348.516 1.182 20 0 EDADLP C[N@H+]1CCN(C(=S)NCC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000747755237 579657179 /nfs/dbraw/zinc/65/71/79/579657179.db2.gz FQMKTPAALTWQIP-QGZVFWFLSA-N 2 2 348.516 1.182 20 0 EDADLP CNc1nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000762261620 580070918 /nfs/dbraw/zinc/07/09/18/580070918.db2.gz HLKAUFFKTSCDHD-ZDUSSCGKSA-N 2 2 337.493 1.425 20 0 EDADLP CNc1nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cs1 ZINC000762261620 580070919 /nfs/dbraw/zinc/07/09/19/580070919.db2.gz HLKAUFFKTSCDHD-ZDUSSCGKSA-N 2 2 337.493 1.425 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763336658 580098067 /nfs/dbraw/zinc/09/80/67/580098067.db2.gz NAIYVHLKCOHBJF-MKXGPGLRSA-N 2 2 348.535 1.693 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763336658 580098068 /nfs/dbraw/zinc/09/80/68/580098068.db2.gz NAIYVHLKCOHBJF-MKXGPGLRSA-N 2 2 348.535 1.693 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000765857625 580152695 /nfs/dbraw/zinc/15/26/95/580152695.db2.gz DCOYYXCCGSVBIN-OLZOCXBDSA-N 2 2 340.855 1.762 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000765857625 580152696 /nfs/dbraw/zinc/15/26/96/580152696.db2.gz DCOYYXCCGSVBIN-OLZOCXBDSA-N 2 2 340.855 1.762 20 0 EDADLP NS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766128554 580159912 /nfs/dbraw/zinc/15/99/12/580159912.db2.gz KLIIXQUSZPAYNU-SJORKVTESA-N 2 2 337.489 1.261 20 0 EDADLP NS(=O)(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000766128554 580159913 /nfs/dbraw/zinc/15/99/13/580159913.db2.gz KLIIXQUSZPAYNU-SJORKVTESA-N 2 2 337.489 1.261 20 0 EDADLP NS(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000766128554 580159914 /nfs/dbraw/zinc/15/99/14/580159914.db2.gz KLIIXQUSZPAYNU-SJORKVTESA-N 2 2 337.489 1.261 20 0 EDADLP NS(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766128554 580159915 /nfs/dbraw/zinc/15/99/15/580159915.db2.gz KLIIXQUSZPAYNU-SJORKVTESA-N 2 2 337.489 1.261 20 0 EDADLP CN(C)c1cc[nH+]c(NCc2cccnc2N2CC[NH+](C)CC2)n1 ZINC000770455801 580261066 /nfs/dbraw/zinc/26/10/66/580261066.db2.gz VCHOTZPGKQXJOF-UHFFFAOYSA-N 2 2 327.436 1.302 20 0 EDADLP CCNS(=O)(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000772976250 580324525 /nfs/dbraw/zinc/32/45/25/580324525.db2.gz DQRBELOHSJYXEA-INIZCTEOSA-N 2 2 339.505 1.568 20 0 EDADLP CCNS(=O)(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000772976250 580324526 /nfs/dbraw/zinc/32/45/26/580324526.db2.gz DQRBELOHSJYXEA-INIZCTEOSA-N 2 2 339.505 1.568 20 0 EDADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000775973244 580405519 /nfs/dbraw/zinc/40/55/19/580405519.db2.gz BSQQTUDTNVIQGB-CABCVRRESA-N 2 2 338.452 1.887 20 0 EDADLP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000775973244 580405520 /nfs/dbraw/zinc/40/55/20/580405520.db2.gz BSQQTUDTNVIQGB-CABCVRRESA-N 2 2 338.452 1.887 20 0 EDADLP CN1CCc2cc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)ccc21 ZINC000778957120 580476866 /nfs/dbraw/zinc/47/68/66/580476866.db2.gz ZKRNRSRQKNDQIH-UHFFFAOYSA-N 2 2 330.476 1.435 20 0 EDADLP CN(CCC(=O)NCc1cccnc1-n1cc[nH+]c1)c1cc[nH+]cc1 ZINC000779493307 580487135 /nfs/dbraw/zinc/48/71/35/580487135.db2.gz OPMTVURTEWCJRQ-UHFFFAOYSA-N 2 2 336.399 1.805 20 0 EDADLP C[C@H](CCNC(=S)NCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000783791668 580606469 /nfs/dbraw/zinc/60/64/69/580606469.db2.gz LKPGDBKOTTWJTA-OAHLLOKOSA-N 2 2 328.526 1.047 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000783995010 580611132 /nfs/dbraw/zinc/61/11/32/580611132.db2.gz QQSIFVAMRKZGIV-CVEARBPZSA-N 2 2 331.464 1.111 20 0 EDADLP CN(C(=O)c1cnn(C)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000786460798 580671207 /nfs/dbraw/zinc/67/12/07/580671207.db2.gz XIZPBKBDLKRBLN-IAGOWNOFSA-N 2 2 348.495 1.224 20 0 EDADLP CN(C(=O)c1cnn(C)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000786460798 580671208 /nfs/dbraw/zinc/67/12/08/580671208.db2.gz XIZPBKBDLKRBLN-IAGOWNOFSA-N 2 2 348.495 1.224 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788332151 580717492 /nfs/dbraw/zinc/71/74/92/580717492.db2.gz KBNXNEOQXDXJEE-OAHLLOKOSA-N 2 2 336.505 1.997 20 0 EDADLP O[C@H](c1ncc[nH]1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000788467620 580722064 /nfs/dbraw/zinc/72/20/64/580722064.db2.gz AKZICFSIQCPUNO-KRWDZBQOSA-N 2 2 338.415 1.936 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789357709 580743407 /nfs/dbraw/zinc/74/34/07/580743407.db2.gz MLVZQMQDRLEUST-SFHVURJKSA-N 3 2 332.492 1.856 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790571011 580773163 /nfs/dbraw/zinc/77/31/63/580773163.db2.gz ATQPMXWIBRIIKA-KRWDZBQOSA-N 2 2 334.851 1.741 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000790571011 580773164 /nfs/dbraw/zinc/77/31/64/580773164.db2.gz ATQPMXWIBRIIKA-KRWDZBQOSA-N 2 2 334.851 1.741 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792886209 580830156 /nfs/dbraw/zinc/83/01/56/580830156.db2.gz TXHGUAZXWNNESH-MRXNPFEDSA-N 2 2 339.430 1.934 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792886209 580830157 /nfs/dbraw/zinc/83/01/57/580830157.db2.gz TXHGUAZXWNNESH-MRXNPFEDSA-N 2 2 339.430 1.934 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000798144033 580988316 /nfs/dbraw/zinc/98/83/16/580988316.db2.gz STNHHPPSAZDHCV-HNNXBMFYSA-N 2 2 331.420 1.090 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)N[C@](C(C)C)(C2CC2)C1=O ZINC000799135158 581018091 /nfs/dbraw/zinc/01/80/91/581018091.db2.gz ACCLQWYFWAXOBA-GOSISDBHSA-N 2 2 347.463 1.828 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)N[C@](C(C)C)(C2CC2)C1=O ZINC000799135158 581018092 /nfs/dbraw/zinc/01/80/92/581018092.db2.gz ACCLQWYFWAXOBA-GOSISDBHSA-N 2 2 347.463 1.828 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891915235 590686194 /nfs/dbraw/zinc/68/61/94/590686194.db2.gz GEOSZUMGQMVQPU-UHFFFAOYSA-N 2 2 333.417 1.273 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000891997109 590735703 /nfs/dbraw/zinc/73/57/03/590735703.db2.gz SVMBSCJVGVHSIS-QGZVFWFLSA-N 2 2 334.464 1.105 20 0 EDADLP CC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000891997109 590735706 /nfs/dbraw/zinc/73/57/06/590735706.db2.gz SVMBSCJVGVHSIS-QGZVFWFLSA-N 2 2 334.464 1.105 20 0 EDADLP C[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000893354397 590799842 /nfs/dbraw/zinc/79/98/42/590799842.db2.gz KHDIGRZAJCAGAS-ZIAGYGMSSA-N 2 2 335.473 1.919 20 0 EDADLP C[C@H]1Cc2cc(C[NH+]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)ccc2O1 ZINC000892177032 590846700 /nfs/dbraw/zinc/84/67/00/590846700.db2.gz YZDRQUIACLMRQF-YJBOKZPZSA-N 2 2 343.471 1.748 20 0 EDADLP C[C@H]1Cc2cc(C[NH+]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)ccc2O1 ZINC000892177032 590846704 /nfs/dbraw/zinc/84/67/04/590846704.db2.gz YZDRQUIACLMRQF-YJBOKZPZSA-N 2 2 343.471 1.748 20 0 EDADLP CC(=O)NCC[N@H+](CC1CC[NH+](C)CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000893484174 590901899 /nfs/dbraw/zinc/90/18/99/590901899.db2.gz KHJYNKLNJNIESR-AWEZNQCLSA-N 2 2 341.496 1.497 20 0 EDADLP CC(=O)NCC[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000893484174 590901901 /nfs/dbraw/zinc/90/19/01/590901901.db2.gz KHJYNKLNJNIESR-AWEZNQCLSA-N 2 2 341.496 1.497 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)C(C)(C)C3)ccc2[nH+]1 ZINC000891006722 590908881 /nfs/dbraw/zinc/90/88/81/590908881.db2.gz SMPKIEUDPIEJQT-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[N@H+](C)C(C)(C)C3)ccc2[nH+]1 ZINC000891006722 590908884 /nfs/dbraw/zinc/90/88/84/590908884.db2.gz SMPKIEUDPIEJQT-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP CN1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+](C)CC1 ZINC000888993730 591014023 /nfs/dbraw/zinc/01/40/23/591014023.db2.gz DKUXPOAUNJFSMM-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CN1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+](C)CC1 ZINC000888993730 591014029 /nfs/dbraw/zinc/01/40/29/591014029.db2.gz DKUXPOAUNJFSMM-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CN1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+](C)CC1 ZINC000888993730 591014032 /nfs/dbraw/zinc/01/40/32/591014032.db2.gz DKUXPOAUNJFSMM-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CN1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+](C)CC1 ZINC000888993730 591014037 /nfs/dbraw/zinc/01/40/37/591014037.db2.gz DKUXPOAUNJFSMM-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP [NH3+][C@H](CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000892410176 591016910 /nfs/dbraw/zinc/01/69/10/591016910.db2.gz IGCCNCKOAICKBS-MSOLQXFVSA-N 2 2 346.475 1.063 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1 ZINC000892432311 591025960 /nfs/dbraw/zinc/02/59/60/591025960.db2.gz IFUXKSPJLYQOFW-GOEBONIOSA-N 2 2 331.464 1.916 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000891344220 591051292 /nfs/dbraw/zinc/05/12/92/591051292.db2.gz DZZOFLSRORNJOQ-UHFFFAOYSA-N 2 2 330.436 1.928 20 0 EDADLP CCc1onc(C)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000892594396 591086247 /nfs/dbraw/zinc/08/62/47/591086247.db2.gz KFPBYLSYEIAGSR-UHFFFAOYSA-N 2 2 329.448 1.982 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000891518317 591104202 /nfs/dbraw/zinc/10/42/02/591104202.db2.gz PJNLRMLLBHFAPL-SOUVJXGZSA-N 2 2 326.485 1.173 20 0 EDADLP COCC[NH+](CCOC)C1CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC000893837782 591111275 /nfs/dbraw/zinc/11/12/75/591111275.db2.gz YEHJAHLTYYSVGD-UHFFFAOYSA-N 2 2 337.468 1.106 20 0 EDADLP COCC[NH+](CCOC)C1CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC000893837782 591111279 /nfs/dbraw/zinc/11/12/79/591111279.db2.gz YEHJAHLTYYSVGD-UHFFFAOYSA-N 2 2 337.468 1.106 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000892676499 591124317 /nfs/dbraw/zinc/12/43/17/591124317.db2.gz NIMSXOWCFOQVAC-OCCSQVGLSA-N 2 2 337.420 1.924 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892767397 591168712 /nfs/dbraw/zinc/16/87/12/591168712.db2.gz BWAOFSGCDZSMFE-CABCVRRESA-N 2 2 347.463 1.078 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000894242284 591242202 /nfs/dbraw/zinc/24/22/02/591242202.db2.gz JWRYIKWSGXGZMS-KGLIPLIRSA-N 2 2 343.427 1.907 20 0 EDADLP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000894242284 591242205 /nfs/dbraw/zinc/24/22/05/591242205.db2.gz JWRYIKWSGXGZMS-KGLIPLIRSA-N 2 2 343.427 1.907 20 0 EDADLP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc[nH+]c3N3CCCC3)C[C@H]2C1 ZINC000895662741 591243280 /nfs/dbraw/zinc/24/32/80/591243280.db2.gz MIWISBUKGXALNC-IYBDPMFKSA-N 2 2 329.448 1.385 20 0 EDADLP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccc[nH+]c3N3CCCC3)C[C@H]2C1 ZINC000895662741 591243283 /nfs/dbraw/zinc/24/32/83/591243283.db2.gz MIWISBUKGXALNC-IYBDPMFKSA-N 2 2 329.448 1.385 20 0 EDADLP CO[C@](C)(C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000895685987 591248759 /nfs/dbraw/zinc/24/87/59/591248759.db2.gz PEGXQUWVBNDDGF-QZTJIDSGSA-N 2 2 325.497 1.188 20 0 EDADLP CCn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)n1 ZINC000893031716 591260621 /nfs/dbraw/zinc/26/06/21/591260621.db2.gz VWPYKWVBCAXEJE-IBGZPJMESA-N 2 2 328.460 1.938 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC000896004863 591321497 /nfs/dbraw/zinc/32/14/97/591321497.db2.gz QZYLVHDQCLLKIT-KRWDZBQOSA-N 3 2 336.524 1.534 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)CC2)CC1 ZINC000896004863 591321499 /nfs/dbraw/zinc/32/14/99/591321499.db2.gz QZYLVHDQCLLKIT-KRWDZBQOSA-N 3 2 336.524 1.534 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)n[nH]1 ZINC000896008880 591322217 /nfs/dbraw/zinc/32/22/17/591322217.db2.gz HKPXEPISFGPBJR-MRXNPFEDSA-N 2 2 328.420 1.850 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)n[nH]1 ZINC000896008880 591322218 /nfs/dbraw/zinc/32/22/18/591322218.db2.gz HKPXEPISFGPBJR-MRXNPFEDSA-N 2 2 328.420 1.850 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCOC2CCSCC2)CC1 ZINC000898438585 591348614 /nfs/dbraw/zinc/34/86/14/591348614.db2.gz CLVIUFSQUKENMN-UHFFFAOYSA-N 2 2 344.521 1.906 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000897428071 591407577 /nfs/dbraw/zinc/40/75/77/591407577.db2.gz CROZBXWIPKQLOM-HNNXBMFYSA-N 2 2 336.505 1.917 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000897428071 591407580 /nfs/dbraw/zinc/40/75/80/591407580.db2.gz CROZBXWIPKQLOM-HNNXBMFYSA-N 2 2 336.505 1.917 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000897428941 591409596 /nfs/dbraw/zinc/40/95/96/591409596.db2.gz WFMHIFZOZHJKSM-MRXNPFEDSA-N 2 2 331.464 1.251 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000897428941 591409600 /nfs/dbraw/zinc/40/96/00/591409600.db2.gz WFMHIFZOZHJKSM-MRXNPFEDSA-N 2 2 331.464 1.251 20 0 EDADLP CN(Cc1ccc2oc(=O)oc2c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000894770591 591411210 /nfs/dbraw/zinc/41/12/10/591411210.db2.gz RSEUAGQFHMVCRZ-INIZCTEOSA-N 2 2 345.443 1.986 20 0 EDADLP CN(Cc1ccc2oc(=O)oc2c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000894770591 591411211 /nfs/dbraw/zinc/41/12/11/591411211.db2.gz RSEUAGQFHMVCRZ-INIZCTEOSA-N 2 2 345.443 1.986 20 0 EDADLP Cn1c[nH+]cc1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000894789675 591416366 /nfs/dbraw/zinc/41/63/66/591416366.db2.gz IPECHYVUWVAXKI-UHFFFAOYSA-N 2 2 327.841 1.656 20 0 EDADLP Brc1cnc2n1C[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)CC2 ZINC000898719977 591483860 /nfs/dbraw/zinc/48/38/60/591483860.db2.gz JOINKPIYOBQWMC-JTQLQIEISA-N 2 2 336.237 1.893 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C12CCC2 ZINC000898826830 591549597 /nfs/dbraw/zinc/54/95/97/591549597.db2.gz RXFDEXRLJZHZIB-BZUAXINKSA-N 2 2 331.464 1.779 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C12CCC2 ZINC000898826830 591549600 /nfs/dbraw/zinc/54/96/00/591549600.db2.gz RXFDEXRLJZHZIB-BZUAXINKSA-N 2 2 331.464 1.779 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C12CCC2 ZINC000898826830 591549603 /nfs/dbraw/zinc/54/96/03/591549603.db2.gz RXFDEXRLJZHZIB-BZUAXINKSA-N 2 2 331.464 1.779 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C12CCC2 ZINC000898826830 591549606 /nfs/dbraw/zinc/54/96/06/591549606.db2.gz RXFDEXRLJZHZIB-BZUAXINKSA-N 2 2 331.464 1.779 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c[nH+]1 ZINC000896630568 591558300 /nfs/dbraw/zinc/55/83/00/591558300.db2.gz ZOBNEIWFIMIIQO-UHFFFAOYSA-N 2 2 347.507 1.413 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)n2c1CCCC2 ZINC000897620281 591593416 /nfs/dbraw/zinc/59/34/16/591593416.db2.gz KWTVSQYQVGMFBL-IFXJQAMLSA-N 2 2 331.460 1.995 20 0 EDADLP COC(=O)c1cc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)n2c1CCCC2 ZINC000897620281 591593419 /nfs/dbraw/zinc/59/34/19/591593419.db2.gz KWTVSQYQVGMFBL-IFXJQAMLSA-N 2 2 331.460 1.995 20 0 EDADLP COC(=O)c1cc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)n2c1CCCC2 ZINC000897620281 591593423 /nfs/dbraw/zinc/59/34/23/591593423.db2.gz KWTVSQYQVGMFBL-IFXJQAMLSA-N 2 2 331.460 1.995 20 0 EDADLP COC(=O)c1cc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)n2c1CCCC2 ZINC000897620281 591593425 /nfs/dbraw/zinc/59/34/25/591593425.db2.gz KWTVSQYQVGMFBL-IFXJQAMLSA-N 2 2 331.460 1.995 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000897651646 591605743 /nfs/dbraw/zinc/60/57/43/591605743.db2.gz HZSHNDDKPSGXFY-LXTVHRRPSA-N 2 2 327.469 1.693 20 0 EDADLP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000897651646 591605746 /nfs/dbraw/zinc/60/57/46/591605746.db2.gz HZSHNDDKPSGXFY-LXTVHRRPSA-N 2 2 327.469 1.693 20 0 EDADLP COC(=O)COc1ccccc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000895456235 591763710 /nfs/dbraw/zinc/76/37/10/591763710.db2.gz KIGHXKWPROUJSN-QGZVFWFLSA-N 2 2 348.443 1.269 20 0 EDADLP COC(=O)COc1ccccc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000895456235 591763713 /nfs/dbraw/zinc/76/37/13/591763713.db2.gz KIGHXKWPROUJSN-QGZVFWFLSA-N 2 2 348.443 1.269 20 0 EDADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2Cc3ccc[nH+]c3N3CCC[C@@H]3C2)C1 ZINC000895603103 591816053 /nfs/dbraw/zinc/81/60/53/591816053.db2.gz KYSPDCVBVSUQEV-OIISXLGYSA-N 2 2 343.475 1.916 20 0 EDADLP O=C(CNc1cccc[nH+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000899972760 591845551 /nfs/dbraw/zinc/84/55/51/591845551.db2.gz ROGZKXSLNMNAQE-UHFFFAOYSA-N 2 2 340.427 1.717 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000899990015 591858445 /nfs/dbraw/zinc/85/84/45/591858445.db2.gz DMWLAKMHYLLFHS-SFHVURJKSA-N 2 2 330.432 1.308 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000899990015 591858447 /nfs/dbraw/zinc/85/84/47/591858447.db2.gz DMWLAKMHYLLFHS-SFHVURJKSA-N 2 2 330.432 1.308 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898376765 591899102 /nfs/dbraw/zinc/89/91/02/591899102.db2.gz OHAYKYPZNOBDEO-PMACEKPBSA-N 2 2 346.471 1.912 20 0 EDADLP Cc1ccccc1C(N)=[NH+]OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000902124290 591923169 /nfs/dbraw/zinc/92/31/69/591923169.db2.gz ZEPZACHNDNENCE-UHFFFAOYSA-N 2 2 332.448 1.831 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000902188628 591941028 /nfs/dbraw/zinc/94/10/28/591941028.db2.gz OKCKKLSBBSMGQX-LLDVTBCESA-N 2 2 328.416 1.360 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000902188628 591941031 /nfs/dbraw/zinc/94/10/31/591941031.db2.gz OKCKKLSBBSMGQX-LLDVTBCESA-N 2 2 328.416 1.360 20 0 EDADLP C/C(=C\C(=O)NCCCC[NH+]1CCC(C)CC1)C[NH+]1CCOCC1 ZINC000900216359 591945804 /nfs/dbraw/zinc/94/58/04/591945804.db2.gz MTNLYDJZNVBHRQ-OBGWFSINSA-N 2 2 337.508 1.893 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000900233243 591950055 /nfs/dbraw/zinc/95/00/55/591950055.db2.gz ROHQFAKBPCEPRP-QFBILLFUSA-N 2 2 346.475 1.533 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000900233243 591950058 /nfs/dbraw/zinc/95/00/58/591950058.db2.gz ROHQFAKBPCEPRP-QFBILLFUSA-N 2 2 346.475 1.533 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)c2ccnn2CC[NH+](C)C)c[nH+]1 ZINC000900229511 591957301 /nfs/dbraw/zinc/95/73/01/591957301.db2.gz MRWRVSQYYJQJFV-UHFFFAOYSA-N 2 2 344.463 1.616 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900255846 591962639 /nfs/dbraw/zinc/96/26/39/591962639.db2.gz KDKFCNVQNHUZSS-CQSZACIVSA-N 2 2 327.388 1.235 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902374931 591982579 /nfs/dbraw/zinc/98/25/79/591982579.db2.gz SEIKVPVOPQLJEG-DLBZAZTESA-N 3 2 327.419 1.791 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902374931 591982581 /nfs/dbraw/zinc/98/25/81/591982581.db2.gz SEIKVPVOPQLJEG-DLBZAZTESA-N 3 2 327.419 1.791 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nc[nH+]1 ZINC000902358165 591986108 /nfs/dbraw/zinc/98/61/08/591986108.db2.gz BLIFBPURCHOGKV-CABCVRRESA-N 3 2 332.496 1.855 20 0 EDADLP C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000902464357 592000652 /nfs/dbraw/zinc/00/06/52/592000652.db2.gz BKNDVJGMQPWLTC-JWZBEHFJSA-N 2 2 335.473 1.770 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)nn1 ZINC000902736685 592054560 /nfs/dbraw/zinc/05/45/60/592054560.db2.gz KBWMZLDNOKWLGW-HNNXBMFYSA-N 2 2 343.479 1.686 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cn(C)nn1 ZINC000902832069 592071345 /nfs/dbraw/zinc/07/13/45/592071345.db2.gz ISNGAGAJIJHTAQ-CQSZACIVSA-N 2 2 329.448 1.623 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900692891 592097014 /nfs/dbraw/zinc/09/70/14/592097014.db2.gz KZEDZLSSOJKIMV-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900692891 592097017 /nfs/dbraw/zinc/09/70/17/592097017.db2.gz KZEDZLSSOJKIMV-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900692891 592097019 /nfs/dbraw/zinc/09/70/19/592097019.db2.gz KZEDZLSSOJKIMV-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900692891 592097022 /nfs/dbraw/zinc/09/70/22/592097022.db2.gz KZEDZLSSOJKIMV-ZWKOTPCHSA-N 3 2 336.524 1.488 20 0 EDADLP Cn1c[nH+]c([C@@H]2C[N@H+](Cc3ccno3)C[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000903106988 592121015 /nfs/dbraw/zinc/12/10/15/592121015.db2.gz KBXGYXSJUFXSPF-DZGCQCFKSA-N 2 2 347.419 1.901 20 0 EDADLP Cn1c[nH+]c([C@@H]2C[N@@H+](Cc3ccno3)C[C@H]2NC(=O)OC(C)(C)C)c1 ZINC000903106988 592121019 /nfs/dbraw/zinc/12/10/19/592121019.db2.gz KBXGYXSJUFXSPF-DZGCQCFKSA-N 2 2 347.419 1.901 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)C[N@@H+]1C1CC1 ZINC000903129796 592125098 /nfs/dbraw/zinc/12/50/98/592125098.db2.gz FBIMTZCCWNEPSS-HGTKMLMNSA-N 2 2 333.480 1.837 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)C[N@H+]1C1CC1 ZINC000903129796 592125099 /nfs/dbraw/zinc/12/50/99/592125099.db2.gz FBIMTZCCWNEPSS-HGTKMLMNSA-N 2 2 333.480 1.837 20 0 EDADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000903234886 592146208 /nfs/dbraw/zinc/14/62/08/592146208.db2.gz QVNCWEMSWHRYPX-WCXIOVBPSA-N 2 2 343.537 1.701 20 0 EDADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000903234886 592146211 /nfs/dbraw/zinc/14/62/11/592146211.db2.gz QVNCWEMSWHRYPX-WCXIOVBPSA-N 2 2 343.537 1.701 20 0 EDADLP CC[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000903345156 592156536 /nfs/dbraw/zinc/15/65/36/592156536.db2.gz DFDFZXRUOPTVOV-KRWDZBQOSA-N 2 2 332.492 1.746 20 0 EDADLP c1nn(-c2ccccc2)cc1C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903454653 592174086 /nfs/dbraw/zinc/17/40/86/592174086.db2.gz HIUUQACLBVAOGV-GOSISDBHSA-N 2 2 325.460 1.742 20 0 EDADLP COc1cccc(OCCN2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000903457270 592174199 /nfs/dbraw/zinc/17/41/99/592174199.db2.gz PSCWGGCVARLAOY-SJORKVTESA-N 2 2 333.476 1.547 20 0 EDADLP COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000903468893 592174682 /nfs/dbraw/zinc/17/46/82/592174682.db2.gz PCPHQDQYJAUDHX-DYVFJYSZSA-N 2 2 347.459 1.583 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000903465261 592178719 /nfs/dbraw/zinc/17/87/19/592178719.db2.gz GKIJRWRVCUEGPX-QGZVFWFLSA-N 2 2 347.459 1.536 20 0 EDADLP CC[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000901062939 592221221 /nfs/dbraw/zinc/22/12/21/592221221.db2.gz BMOWSXAXQBBRJG-ZWKOTPCHSA-N 2 2 342.443 1.748 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901089046 592228951 /nfs/dbraw/zinc/22/89/51/592228951.db2.gz NOBXBZUYWCAJJL-ZJPYXAASSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901089046 592228953 /nfs/dbraw/zinc/22/89/53/592228953.db2.gz NOBXBZUYWCAJJL-ZJPYXAASSA-N 2 2 335.492 1.763 20 0 EDADLP COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000904332834 592232727 /nfs/dbraw/zinc/23/27/27/592232727.db2.gz XNFXBAOOSAMHTC-INIZCTEOSA-N 2 2 343.431 1.929 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCn3nc(C4CC4)cc3C2)cnn1C ZINC000904389890 592243079 /nfs/dbraw/zinc/24/30/79/592243079.db2.gz XLRCMNLUHBFVPG-AWEZNQCLSA-N 2 2 328.464 1.436 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCn3nc(C4CC4)cc3C2)cnn1C ZINC000904389890 592243085 /nfs/dbraw/zinc/24/30/85/592243085.db2.gz XLRCMNLUHBFVPG-AWEZNQCLSA-N 2 2 328.464 1.436 20 0 EDADLP [NH3+][C@@H]1CCCn2nc(-c3nc([C@@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cc21 ZINC000904644260 592301270 /nfs/dbraw/zinc/30/12/70/592301270.db2.gz OIXYODVBNKISHN-JMSVASOKSA-N 2 2 344.419 1.653 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC[C@@]34CC[NH2+]C4)ccc2n1C ZINC000906764909 592321493 /nfs/dbraw/zinc/32/14/93/592321493.db2.gz KLNZEPYTLZDVKW-SFHVURJKSA-N 2 2 341.415 1.175 20 0 EDADLP Cc1cc(-c2cccc(S(=O)(=O)N3CC[NH2+]CC3)c2)cc(N)[nH+]1 ZINC000904846940 592333479 /nfs/dbraw/zinc/33/34/79/592333479.db2.gz ZLUGMMJMEHUWBE-UHFFFAOYSA-N 2 2 332.429 1.233 20 0 EDADLP COc1cnc([C@@H]2CCC[N@@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)[nH]c1=O ZINC000903830347 592336120 /nfs/dbraw/zinc/33/61/20/592336120.db2.gz ZOOWTSLFSAJGDD-IGCXYCKISA-N 2 2 334.420 1.096 20 0 EDADLP COc1cnc([C@@H]2CCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)[nH]c1=O ZINC000903830347 592336125 /nfs/dbraw/zinc/33/61/25/592336125.db2.gz ZOOWTSLFSAJGDD-IGCXYCKISA-N 2 2 334.420 1.096 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855095 592347166 /nfs/dbraw/zinc/34/71/66/592347166.db2.gz LIGFLLBRGHGFMF-QFBILLFUSA-N 2 2 331.460 1.727 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855095 592347171 /nfs/dbraw/zinc/34/71/71/592347171.db2.gz LIGFLLBRGHGFMF-QFBILLFUSA-N 2 2 331.460 1.727 20 0 EDADLP CCCC(=O)N[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903889978 592352560 /nfs/dbraw/zinc/35/25/60/592352560.db2.gz WYAKONCWGLVIEC-GJZGRUSLSA-N 2 2 334.468 1.083 20 0 EDADLP CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903889978 592352563 /nfs/dbraw/zinc/35/25/63/592352563.db2.gz WYAKONCWGLVIEC-GJZGRUSLSA-N 2 2 334.468 1.083 20 0 EDADLP COc1ccc(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1F ZINC000903878211 592358484 /nfs/dbraw/zinc/35/84/84/592358484.db2.gz SPUWEMYTPIUTQJ-CQSZACIVSA-N 2 2 333.411 1.982 20 0 EDADLP COc1ccc(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1F ZINC000903878211 592358486 /nfs/dbraw/zinc/35/84/86/592358486.db2.gz SPUWEMYTPIUTQJ-CQSZACIVSA-N 2 2 333.411 1.982 20 0 EDADLP Oc1cccc(N2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903879151 592359534 /nfs/dbraw/zinc/35/95/34/592359534.db2.gz ULKGYCQCYMXAND-INIZCTEOSA-N 2 2 342.447 1.230 20 0 EDADLP Cc1c(C[C@H](C[NH3+])CN2CC[NH+](Cc3ccncc3)CC2)cnn1C ZINC000903902629 592371785 /nfs/dbraw/zinc/37/17/85/592371785.db2.gz LETLPCODBMSHJK-GOSISDBHSA-N 2 2 342.491 1.059 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(Cc3ccncc3)CC2)cnn1C ZINC000903902629 592371790 /nfs/dbraw/zinc/37/17/90/592371790.db2.gz LETLPCODBMSHJK-GOSISDBHSA-N 2 2 342.491 1.059 20 0 EDADLP O[C@H](C[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000905037684 592374290 /nfs/dbraw/zinc/37/42/90/592374290.db2.gz LSBLSKZAKRTOGT-ZWKOTPCHSA-N 2 2 338.411 1.842 20 0 EDADLP O[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)C[C@H](O)c1ccccc1 ZINC000905029422 592386598 /nfs/dbraw/zinc/38/65/98/592386598.db2.gz BOVFDAXZEAOJRY-MSOLQXFVSA-N 2 2 325.412 1.951 20 0 EDADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956415 592395080 /nfs/dbraw/zinc/39/50/80/592395080.db2.gz LDJWCXJZLZHZJV-CHWSQXEVSA-N 2 2 332.416 1.683 20 0 EDADLP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCCn3cc[nH+]c3)C2)[C@@H]1C(C)C ZINC000905136271 592431173 /nfs/dbraw/zinc/43/11/73/592431173.db2.gz HLMIVHRUSJLPSL-CBZIJGRNSA-N 2 2 349.479 1.052 20 0 EDADLP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCCn3cc[nH+]c3)C2)[C@@H]1C(C)C ZINC000905136271 592431175 /nfs/dbraw/zinc/43/11/75/592431175.db2.gz HLMIVHRUSJLPSL-CBZIJGRNSA-N 2 2 349.479 1.052 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905178734 592441053 /nfs/dbraw/zinc/44/10/53/592441053.db2.gz CZBUNODJKFVOHU-MAUKXSAKSA-N 2 2 349.475 1.099 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H]3C[NH+](C4CC4)C[C@H]3C)co2)C1 ZINC000906970217 592443690 /nfs/dbraw/zinc/44/36/90/592443690.db2.gz DUJVAMNVLNXBGO-VHDGCEQUSA-N 2 2 348.447 1.108 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H]3C[NH+](C4CC4)C[C@H]3C)co2)C1 ZINC000906970217 592443693 /nfs/dbraw/zinc/44/36/93/592443693.db2.gz DUJVAMNVLNXBGO-VHDGCEQUSA-N 2 2 348.447 1.108 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)co2)C1 ZINC000906970217 592443695 /nfs/dbraw/zinc/44/36/95/592443695.db2.gz DUJVAMNVLNXBGO-VHDGCEQUSA-N 2 2 348.447 1.108 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)co2)C1 ZINC000906970217 592443700 /nfs/dbraw/zinc/44/37/00/592443700.db2.gz DUJVAMNVLNXBGO-VHDGCEQUSA-N 2 2 348.447 1.108 20 0 EDADLP NC(=O)[C@H]([NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1)c1ccccc1 ZINC000901727212 592445308 /nfs/dbraw/zinc/44/53/08/592445308.db2.gz DUDANZPVGUETKX-BXUZGUMPSA-N 2 2 349.232 1.777 20 0 EDADLP CC(C)N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901728151 592446189 /nfs/dbraw/zinc/44/61/89/592446189.db2.gz LJHVTFGGYXCBEF-MNOVXSKESA-N 2 2 341.253 1.559 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)[C@H](C)C1 ZINC000904174044 592450872 /nfs/dbraw/zinc/45/08/72/592450872.db2.gz JDKPFTLNHCNLON-CQSZACIVSA-N 2 2 333.432 1.716 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)[C@H](C)C1 ZINC000904174044 592450875 /nfs/dbraw/zinc/45/08/75/592450875.db2.gz JDKPFTLNHCNLON-CQSZACIVSA-N 2 2 333.432 1.716 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2([NH3+])CC2)C[C@H](C)O1 ZINC000904295941 592470565 /nfs/dbraw/zinc/47/05/65/592470565.db2.gz MHFOKWMVHXKNGF-OKILXGFUSA-N 2 2 332.448 1.909 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2([NH3+])CC2)C[C@H](C)O1 ZINC000904295941 592470568 /nfs/dbraw/zinc/47/05/68/592470568.db2.gz MHFOKWMVHXKNGF-OKILXGFUSA-N 2 2 332.448 1.909 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000908419059 592488849 /nfs/dbraw/zinc/48/88/49/592488849.db2.gz VHXWKFOZEWTABE-AWEZNQCLSA-N 2 2 344.415 1.856 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000908419059 592488852 /nfs/dbraw/zinc/48/88/52/592488852.db2.gz VHXWKFOZEWTABE-AWEZNQCLSA-N 2 2 344.415 1.856 20 0 EDADLP Cc1cc(C)c(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c(C)[nH+]1 ZINC000907132503 592525045 /nfs/dbraw/zinc/52/50/45/592525045.db2.gz MPMMTPJWOTUVCW-UHFFFAOYSA-N 2 2 328.416 1.982 20 0 EDADLP Cc1cccc([C@@H](O)C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000905447480 592528329 /nfs/dbraw/zinc/52/83/29/592528329.db2.gz RJBXOBGCXJBGJR-UXHICEINSA-N 2 2 347.503 1.415 20 0 EDADLP CO[C@@]1(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)CCSC1 ZINC000905544920 592557719 /nfs/dbraw/zinc/55/77/19/592557719.db2.gz CPKBCQXYRJHTKI-ZWKOTPCHSA-N 2 2 336.501 1.517 20 0 EDADLP CO[C@@]1(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)CCSC1 ZINC000905544920 592557721 /nfs/dbraw/zinc/55/77/21/592557721.db2.gz CPKBCQXYRJHTKI-ZWKOTPCHSA-N 2 2 336.501 1.517 20 0 EDADLP C[C@@](O)(C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)C(F)(F)C(F)(F)F ZINC000905620552 592588203 /nfs/dbraw/zinc/58/82/03/592588203.db2.gz TWSPLGKYFUPYSC-VXGBXAGGSA-N 2 2 346.340 1.778 20 0 EDADLP C[C@@](O)(C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)C(F)(F)C(F)(F)F ZINC000905620552 592588206 /nfs/dbraw/zinc/58/82/06/592588206.db2.gz TWSPLGKYFUPYSC-VXGBXAGGSA-N 2 2 346.340 1.778 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905623858 592588584 /nfs/dbraw/zinc/58/85/84/592588584.db2.gz IZBIPVOAJXWSRR-MSOLQXFVSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905623858 592588587 /nfs/dbraw/zinc/58/85/87/592588587.db2.gz IZBIPVOAJXWSRR-MSOLQXFVSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905623390 592588707 /nfs/dbraw/zinc/58/87/07/592588707.db2.gz IYQUTMDGNSSODA-QZTJIDSGSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000905623390 592588708 /nfs/dbraw/zinc/58/87/08/592588708.db2.gz IYQUTMDGNSSODA-QZTJIDSGSA-N 2 2 334.460 1.578 20 0 EDADLP c1nc(N[C@H]2C[NH2+]CC3(CCOCC3)C2)cc(N2CCSCC2)[nH+]1 ZINC000905690057 592604928 /nfs/dbraw/zinc/60/49/28/592604928.db2.gz LIRIYYSFTDSKPD-CQSZACIVSA-N 2 2 349.504 1.600 20 0 EDADLP OCCc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000905689507 592605208 /nfs/dbraw/zinc/60/52/08/592605208.db2.gz AUVFRFHJTNUCQX-OAQYLSRUSA-N 2 2 340.467 1.730 20 0 EDADLP OCCc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000905689507 592605212 /nfs/dbraw/zinc/60/52/12/592605212.db2.gz AUVFRFHJTNUCQX-OAQYLSRUSA-N 2 2 340.467 1.730 20 0 EDADLP [NH3+]Cc1nc2c(s1)CCN(c1cc(N3CCCCC3)[nH+]cn1)C2 ZINC000905671143 592607619 /nfs/dbraw/zinc/60/76/19/592607619.db2.gz LEICTBPJZUAAKK-UHFFFAOYSA-N 2 2 330.461 1.945 20 0 EDADLP [NH3+]Cc1nc2c(s1)CCN(c1cc(N3CCCCC3)nc[nH+]1)C2 ZINC000905671143 592607621 /nfs/dbraw/zinc/60/76/21/592607621.db2.gz LEICTBPJZUAAKK-UHFFFAOYSA-N 2 2 330.461 1.945 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1Cc2ccccc2[C@H]1O)C[N@@H+]1CCc2ccccc2C1 ZINC000905707906 592618241 /nfs/dbraw/zinc/61/82/41/592618241.db2.gz LTFOPQLHRMPXNJ-CEWLAPEOSA-N 2 2 338.451 1.654 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1Cc2ccccc2[C@H]1O)C[N@H+]1CCc2ccccc2C1 ZINC000905707906 592618245 /nfs/dbraw/zinc/61/82/45/592618245.db2.gz LTFOPQLHRMPXNJ-CEWLAPEOSA-N 2 2 338.451 1.654 20 0 EDADLP CC(C)c1nc(N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000905721095 592622828 /nfs/dbraw/zinc/62/28/28/592622828.db2.gz GQNCECPYQFUZLG-VHSXEESVSA-N 2 2 332.374 1.777 20 0 EDADLP CCn1c([C@@H]2C[NH+](C)C[C@H](C)O2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000908831024 592635544 /nfs/dbraw/zinc/63/55/44/592635544.db2.gz MICGUONZFYMTMQ-KBPBESRZSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@@H]2C[NH+](C)C[C@H](C)O2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000908831024 592635547 /nfs/dbraw/zinc/63/55/47/592635547.db2.gz MICGUONZFYMTMQ-KBPBESRZSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@@H]2C[N@H+](C)C[C@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908831024 592635549 /nfs/dbraw/zinc/63/55/49/592635549.db2.gz MICGUONZFYMTMQ-KBPBESRZSA-N 2 2 336.484 1.220 20 0 EDADLP CCn1c([C@@H]2C[N@@H+](C)C[C@H](C)O2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908831024 592635551 /nfs/dbraw/zinc/63/55/51/592635551.db2.gz MICGUONZFYMTMQ-KBPBESRZSA-N 2 2 336.484 1.220 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000905896269 592671371 /nfs/dbraw/zinc/67/13/71/592671371.db2.gz OTLVJRBCEIXLMP-PSBWJHGTSA-N 2 2 336.476 1.560 20 0 EDADLP C/C(=C\C(=O)N(C)C[C@@H]1CCc2[nH+]ccn2C1)C[NH+]1CCOCC1 ZINC000907570916 592714986 /nfs/dbraw/zinc/71/49/86/592714986.db2.gz VZJJWZSAELNACP-SFKKXYGYSA-N 2 2 332.448 1.182 20 0 EDADLP Cn1ccc(-n2cc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)nn2)n1 ZINC000906270956 592770041 /nfs/dbraw/zinc/77/00/41/592770041.db2.gz GFQPHGCZABLTJH-AWEZNQCLSA-N 2 2 338.419 1.330 20 0 EDADLP Cn1ccc(-n2cc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)nn2)n1 ZINC000906270956 592770044 /nfs/dbraw/zinc/77/00/44/592770044.db2.gz GFQPHGCZABLTJH-AWEZNQCLSA-N 2 2 338.419 1.330 20 0 EDADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000906523471 592840735 /nfs/dbraw/zinc/84/07/35/592840735.db2.gz PJGNRQVHFAFVFT-QGZVFWFLSA-N 2 2 346.475 1.131 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000910839666 592895457 /nfs/dbraw/zinc/89/54/57/592895457.db2.gz DZMFWDCCXWWYAW-GJZGRUSLSA-N 2 2 347.463 1.026 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734270579 592959264 /nfs/dbraw/zinc/95/92/64/592959264.db2.gz XUQDNWZMFXFAHZ-KRWDZBQOSA-N 2 2 349.479 1.606 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CCO1 ZINC000911882740 593030350 /nfs/dbraw/zinc/03/03/50/593030350.db2.gz VUCCNFNINMPPNZ-AXFHLTTASA-N 2 2 334.342 1.031 20 0 EDADLP C[NH+]1CCC(N(CCO)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000911948023 593037850 /nfs/dbraw/zinc/03/78/50/593037850.db2.gz XERHSUDIRPBMIY-ZDUSSCGKSA-N 2 2 348.369 1.292 20 0 EDADLP C/C(=C/C(=O)NCc1ccc[nH+]c1N1CCCC1)C[NH+]1CCOCC1 ZINC000912302851 593084457 /nfs/dbraw/zinc/08/44/57/593084457.db2.gz BJAPNCDPAOGWIX-SSZFMOIBSA-N 2 2 344.459 1.577 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)[C@]12CCCO2 ZINC000839952495 593219427 /nfs/dbraw/zinc/21/94/27/593219427.db2.gz GZUSNPPWXPHVBO-HKUYNNGSSA-N 2 2 344.459 1.577 20 0 EDADLP O=C1c2ncccc2CN1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000839964591 593245414 /nfs/dbraw/zinc/24/54/14/593245414.db2.gz QWXPWGULKBRABZ-UHFFFAOYSA-N 2 2 330.432 1.039 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)N[C@](C)(C3CCCC3)C2=O)C1 ZINC000802734902 593274335 /nfs/dbraw/zinc/27/43/35/593274335.db2.gz VVQBLFWYJSPXRM-ZSZQSSIHSA-N 2 2 348.491 1.861 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)N[C@](C)(C3CCCC3)C2=O)C1 ZINC000802734902 593274338 /nfs/dbraw/zinc/27/43/38/593274338.db2.gz VVQBLFWYJSPXRM-ZSZQSSIHSA-N 2 2 348.491 1.861 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C(=O)N[C@](C)(C3CCCC3)C2=O)C1 ZINC000802734902 593274340 /nfs/dbraw/zinc/27/43/40/593274340.db2.gz VVQBLFWYJSPXRM-ZSZQSSIHSA-N 2 2 348.491 1.861 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C(=O)N[C@](C)(C3CCCC3)C2=O)C1 ZINC000802734902 593274343 /nfs/dbraw/zinc/27/43/43/593274343.db2.gz VVQBLFWYJSPXRM-ZSZQSSIHSA-N 2 2 348.491 1.861 20 0 EDADLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000839614796 593350865 /nfs/dbraw/zinc/35/08/65/593350865.db2.gz FYTNQMOOEMDACX-UHFFFAOYSA-N 2 2 348.491 1.782 20 0 EDADLP O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000810038382 593376491 /nfs/dbraw/zinc/37/64/91/593376491.db2.gz UIMKPCALGFQDHR-HOTGVXAUSA-N 2 2 325.453 1.186 20 0 EDADLP O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000810038382 593376493 /nfs/dbraw/zinc/37/64/93/593376493.db2.gz UIMKPCALGFQDHR-HOTGVXAUSA-N 2 2 325.453 1.186 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)C(C)(C)[C@@H]2[C@@H]2CCCO2)C1 ZINC000811760511 593479651 /nfs/dbraw/zinc/47/96/51/593479651.db2.gz MHXZOHANDRGXES-ILXRZTDVSA-N 2 2 332.448 1.583 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)C(C)(C)[C@@H]2[C@@H]2CCCO2)C1 ZINC000811760511 593479652 /nfs/dbraw/zinc/47/96/52/593479652.db2.gz MHXZOHANDRGXES-ILXRZTDVSA-N 2 2 332.448 1.583 20 0 EDADLP CC1(C)C(=O)N(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@H]1[C@H]1CCCO1 ZINC000811771272 593480898 /nfs/dbraw/zinc/48/08/98/593480898.db2.gz ZSXYOJWTKIQVQN-ZACQAIPSSA-N 2 2 345.443 1.908 20 0 EDADLP CC1(C)C(=O)N(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)[C@H]1[C@H]1CCCO1 ZINC000811771272 593480899 /nfs/dbraw/zinc/48/08/99/593480899.db2.gz ZSXYOJWTKIQVQN-ZACQAIPSSA-N 2 2 345.443 1.908 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3C[C@H](C)[C@H](C)C3=O)CC2)CC1 ZINC000817372713 593597728 /nfs/dbraw/zinc/59/77/28/593597728.db2.gz LFHZCYOYBFZYAP-IRXDYDNUSA-N 2 2 336.524 1.550 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3C[C@H](C)[C@H](C)C3=O)CC2)CC1 ZINC000817372713 593597729 /nfs/dbraw/zinc/59/77/29/593597729.db2.gz LFHZCYOYBFZYAP-IRXDYDNUSA-N 2 2 336.524 1.550 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](CN3C[C@H](C)[C@H](C)C3=O)CC2)CC1 ZINC000817372713 593597730 /nfs/dbraw/zinc/59/77/30/593597730.db2.gz LFHZCYOYBFZYAP-IRXDYDNUSA-N 2 2 336.524 1.550 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](CN3C[C@H](C)[C@H](C)C3=O)CC2)CC1 ZINC000817372713 593597731 /nfs/dbraw/zinc/59/77/31/593597731.db2.gz LFHZCYOYBFZYAP-IRXDYDNUSA-N 2 2 336.524 1.550 20 0 EDADLP CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656934 593620501 /nfs/dbraw/zinc/62/05/01/593620501.db2.gz REMZICIRVXXBIW-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817656934 593620502 /nfs/dbraw/zinc/62/05/02/593620502.db2.gz REMZICIRVXXBIW-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP O[C@](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)(c1ccccc1)C(F)(F)F ZINC000817893336 593646073 /nfs/dbraw/zinc/64/60/73/593646073.db2.gz YIZHFMHUKRAJHS-HRCADAONSA-N 2 2 344.377 1.793 20 0 EDADLP CON(C)C(=O)CC[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000819041232 593735150 /nfs/dbraw/zinc/73/51/50/593735150.db2.gz BANBGLKJIHQVKQ-UHFFFAOYSA-N 2 2 341.496 1.800 20 0 EDADLP CON(C)C(=O)CC[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000819041232 593735151 /nfs/dbraw/zinc/73/51/51/593735151.db2.gz BANBGLKJIHQVKQ-UHFFFAOYSA-N 2 2 341.496 1.800 20 0 EDADLP Cc1ccccc1[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000819306367 593749632 /nfs/dbraw/zinc/74/96/32/593749632.db2.gz SJBFAEXBFJBHLS-PHSGOXPASA-N 2 2 345.487 1.702 20 0 EDADLP Cc1ccccc1[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000819306367 593749633 /nfs/dbraw/zinc/74/96/33/593749633.db2.gz SJBFAEXBFJBHLS-PHSGOXPASA-N 2 2 345.487 1.702 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820092285 593790036 /nfs/dbraw/zinc/79/00/36/593790036.db2.gz AEYVAQKMLVMYPT-WUUYTGORSA-N 2 2 341.455 1.121 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000820092285 593790037 /nfs/dbraw/zinc/79/00/37/593790037.db2.gz AEYVAQKMLVMYPT-WUUYTGORSA-N 2 2 341.455 1.121 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2csc(C3CC3)n2)CC1 ZINC000820608792 593843910 /nfs/dbraw/zinc/84/39/10/593843910.db2.gz MAXLKIOTPPQHRJ-UHFFFAOYSA-N 2 2 336.505 1.705 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C[C@H](C)[N@H+]1CCO ZINC000821711873 593921990 /nfs/dbraw/zinc/92/19/90/593921990.db2.gz OKDNNAWKZMGUNM-IYBDPMFKSA-N 2 2 349.475 1.793 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C[C@H](C)[N@@H+]1CCO ZINC000821711873 593921991 /nfs/dbraw/zinc/92/19/91/593921991.db2.gz OKDNNAWKZMGUNM-IYBDPMFKSA-N 2 2 349.475 1.793 20 0 EDADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCOCC1 ZINC000824426193 594009141 /nfs/dbraw/zinc/00/91/41/594009141.db2.gz BOJBGTFWRNTNPT-KBPBESRZSA-N 2 2 330.436 1.486 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000821397046 594036970 /nfs/dbraw/zinc/03/69/70/594036970.db2.gz YOTJKWXXIPWZID-CQSZACIVSA-N 2 2 328.526 1.187 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000821397046 594036972 /nfs/dbraw/zinc/03/69/72/594036972.db2.gz YOTJKWXXIPWZID-CQSZACIVSA-N 2 2 328.526 1.187 20 0 EDADLP FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000822732886 594092998 /nfs/dbraw/zinc/09/29/98/594092998.db2.gz NRUSXQLPSHAQRY-TXEJJXNPSA-N 2 2 336.346 1.119 20 0 EDADLP FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000822732886 594093000 /nfs/dbraw/zinc/09/30/00/594093000.db2.gz NRUSXQLPSHAQRY-TXEJJXNPSA-N 2 2 336.346 1.119 20 0 EDADLP Cc1cc[nH+]c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1-c1nn[nH]n1 ZINC000826312333 594419632 /nfs/dbraw/zinc/41/96/32/594419632.db2.gz BLRVKRQWFKVANP-CYBMUJFWSA-N 2 2 329.408 1.235 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000828596550 594459721 /nfs/dbraw/zinc/45/97/21/594459721.db2.gz RQZRASLCJZSTQZ-UHFFFAOYSA-N 2 2 328.416 1.747 20 0 EDADLP c1cn2c(cccc2C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[nH+]1 ZINC000826516472 594514323 /nfs/dbraw/zinc/51/43/23/594514323.db2.gz MBOMYHUBUSYHJT-UHFFFAOYSA-N 2 2 335.371 1.683 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCC(CO)(NC(=O)OC(C)(C)C)CC1 ZINC000829267064 594590112 /nfs/dbraw/zinc/59/01/12/594590112.db2.gz HEXSDXFRZQFLDV-UHFFFAOYSA-N 2 2 338.452 1.543 20 0 EDADLP COCC1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC000829470745 594620742 /nfs/dbraw/zinc/62/07/42/594620742.db2.gz VEOPLMPCIISZNU-UHFFFAOYSA-N 2 2 328.416 1.505 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)/C=C/c2cn(C)c[nH+]2)cc1 ZINC000827167803 594650030 /nfs/dbraw/zinc/65/00/30/594650030.db2.gz SUPKDWWZWGUDLT-JZLODUJNSA-N 2 2 340.427 1.833 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)/C=C/c2cn(C)c[nH+]2)cc1 ZINC000827167803 594650031 /nfs/dbraw/zinc/65/00/31/594650031.db2.gz SUPKDWWZWGUDLT-JZLODUJNSA-N 2 2 340.427 1.833 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000827494424 594677140 /nfs/dbraw/zinc/67/71/40/594677140.db2.gz LTKKXOZAKZCFNU-HIFRSBDPSA-N 2 2 332.448 1.274 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000827494424 594677141 /nfs/dbraw/zinc/67/71/41/594677141.db2.gz LTKKXOZAKZCFNU-HIFRSBDPSA-N 2 2 332.448 1.274 20 0 EDADLP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@]1(F)CC[NH2+]C1 ZINC000832158302 594730918 /nfs/dbraw/zinc/73/09/18/594730918.db2.gz JTAMIFFQMRLHTC-INIZCTEOSA-N 2 2 325.815 1.516 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]C1)NCc1cccnc1-n1cc[nH+]c1 ZINC000841691058 594938399 /nfs/dbraw/zinc/93/83/99/594938399.db2.gz OHKLXPBSQOISOH-CQSZACIVSA-N 2 2 328.420 1.456 20 0 EDADLP O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1cccnc1-n1cc[nH+]c1 ZINC000841691057 594938478 /nfs/dbraw/zinc/93/84/78/594938478.db2.gz OHKLXPBSQOISOH-AWEZNQCLSA-N 2 2 328.420 1.456 20 0 EDADLP CC1(C)C[NH+]=C(N2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)S1 ZINC000842011891 595002207 /nfs/dbraw/zinc/00/22/07/595002207.db2.gz XIRXPSDAMHXLMN-QWHCGFSZSA-N 2 2 339.509 1.322 20 0 EDADLP CC[C@H]1C[N@H+](Cc2c(C)nn(CCS(C)(=O)=O)c2C)CC[C@H]1[NH3+] ZINC000843377103 595093662 /nfs/dbraw/zinc/09/36/62/595093662.db2.gz JPXQMAFETJUAEZ-GOEBONIOSA-N 2 2 342.509 1.104 20 0 EDADLP CC[C@H]1C[N@@H+](Cc2c(C)nn(CCS(C)(=O)=O)c2C)CC[C@H]1[NH3+] ZINC000843377103 595093665 /nfs/dbraw/zinc/09/36/65/595093665.db2.gz JPXQMAFETJUAEZ-GOEBONIOSA-N 2 2 342.509 1.104 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000867400629 595102006 /nfs/dbraw/zinc/10/20/06/595102006.db2.gz DBPIYBPMYIEWAX-DOTOQJQBSA-N 2 2 328.416 1.566 20 0 EDADLP Cc1cc(C)c(N2CC[C@H]([N@@H+]3CCCO[C@H](C[NH3+])C3)C2=O)c(C)c1 ZINC000842479173 595115757 /nfs/dbraw/zinc/11/57/57/595115757.db2.gz PBPPHGUVIQXQOH-SJORKVTESA-N 2 2 331.460 1.767 20 0 EDADLP Cc1cc(C)c(N2CC[C@H]([N@H+]3CCCO[C@H](C[NH3+])C3)C2=O)c(C)c1 ZINC000842479173 595115759 /nfs/dbraw/zinc/11/57/59/595115759.db2.gz PBPPHGUVIQXQOH-SJORKVTESA-N 2 2 331.460 1.767 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000843492880 595129201 /nfs/dbraw/zinc/12/92/01/595129201.db2.gz YNFANCUFFBQSDG-QGZVFWFLSA-N 2 2 344.459 1.417 20 0 EDADLP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000843062834 595277559 /nfs/dbraw/zinc/27/75/59/595277559.db2.gz SQMYWQOBZVGIFU-PBHICJAKSA-N 2 2 338.448 1.174 20 0 EDADLP CC(C)C[C@@H](O)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000844165731 595288822 /nfs/dbraw/zinc/28/88/22/595288822.db2.gz VBOVSRGUTPLJMB-MSOLQXFVSA-N 2 2 344.459 1.324 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000844167787 595289372 /nfs/dbraw/zinc/28/93/72/595289372.db2.gz OWEUUGFNEPPMAS-DYVFJYSZSA-N 2 2 346.406 1.533 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000846668793 595296842 /nfs/dbraw/zinc/29/68/42/595296842.db2.gz NPTZLOUSEUASIL-GOEBONIOSA-N 2 2 339.867 1.989 20 0 EDADLP CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846670555 595297167 /nfs/dbraw/zinc/29/71/67/595297167.db2.gz FLMOZPFRKFEDKZ-DLBZAZTESA-N 2 2 339.455 1.623 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000846669918 595297259 /nfs/dbraw/zinc/29/72/59/595297259.db2.gz JYLARJPRPNCKBL-HUUCEWRRSA-N 2 2 327.375 1.144 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@]3(C)CCC[NH2+]3)CC2)cc1 ZINC000844191512 595298009 /nfs/dbraw/zinc/29/80/09/595298009.db2.gz DMISEULIPRRSJS-IBGZPJMESA-N 2 2 330.476 1.980 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@]3(C)CCC[NH2+]3)CC2)cc1 ZINC000844191512 595298012 /nfs/dbraw/zinc/29/80/12/595298012.db2.gz DMISEULIPRRSJS-IBGZPJMESA-N 2 2 330.476 1.980 20 0 EDADLP C[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218882 595305256 /nfs/dbraw/zinc/30/52/56/595305256.db2.gz DFKPVTKUFBUUSV-QGZVFWFLSA-N 2 2 346.475 1.536 20 0 EDADLP C[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218882 595305258 /nfs/dbraw/zinc/30/52/58/595305258.db2.gz DFKPVTKUFBUUSV-QGZVFWFLSA-N 2 2 346.475 1.536 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ncc(C2(O)CCCCC2)s1 ZINC000846717006 595306066 /nfs/dbraw/zinc/30/60/66/595306066.db2.gz JMLVUVJBBXFJEO-LLVKDONJSA-N 2 2 326.466 1.512 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851684 595326584 /nfs/dbraw/zinc/32/65/84/595326584.db2.gz TXQPHOYEAFKTTB-WFASDCNBSA-N 2 2 329.466 1.021 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000846851684 595326587 /nfs/dbraw/zinc/32/65/87/595326587.db2.gz TXQPHOYEAFKTTB-WFASDCNBSA-N 2 2 329.466 1.021 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000846910047 595335701 /nfs/dbraw/zinc/33/57/01/595335701.db2.gz AZZQFOOMXMJMBM-GFCCVEGCSA-N 2 2 337.386 1.240 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000846910047 595335703 /nfs/dbraw/zinc/33/57/03/595335703.db2.gz AZZQFOOMXMJMBM-GFCCVEGCSA-N 2 2 337.386 1.240 20 0 EDADLP CC(C)O[C@@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000844718456 595382714 /nfs/dbraw/zinc/38/27/14/595382714.db2.gz VNNCDFSSMSCTCA-AEFFLSMTSA-N 2 2 337.464 1.750 20 0 EDADLP CC(C)O[C@@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000844718456 595382717 /nfs/dbraw/zinc/38/27/17/595382717.db2.gz VNNCDFSSMSCTCA-AEFFLSMTSA-N 2 2 337.464 1.750 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000845162530 595453799 /nfs/dbraw/zinc/45/37/99/595453799.db2.gz CYZGUVBLLXJMRX-OAHLLOKOSA-N 2 2 336.399 1.651 20 0 EDADLP COC(=O)/C=C\c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000848910272 595466293 /nfs/dbraw/zinc/46/62/93/595466293.db2.gz HNQMTDZMHIBKRS-FPLPWBNLSA-N 2 2 349.475 1.924 20 0 EDADLP COC(=O)/C=C\c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000848910272 595466294 /nfs/dbraw/zinc/46/62/94/595466294.db2.gz HNQMTDZMHIBKRS-FPLPWBNLSA-N 2 2 349.475 1.924 20 0 EDADLP COC(=O)/C=C\c1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000848910272 595466295 /nfs/dbraw/zinc/46/62/95/595466295.db2.gz HNQMTDZMHIBKRS-FPLPWBNLSA-N 2 2 349.475 1.924 20 0 EDADLP COC(=O)/C=C\c1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000848910272 595466296 /nfs/dbraw/zinc/46/62/96/595466296.db2.gz HNQMTDZMHIBKRS-FPLPWBNLSA-N 2 2 349.475 1.924 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000850607992 595550619 /nfs/dbraw/zinc/55/06/19/595550619.db2.gz XPYVMGUYBSVYOX-CQSZACIVSA-N 2 2 347.463 1.337 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000850607992 595550622 /nfs/dbraw/zinc/55/06/22/595550622.db2.gz XPYVMGUYBSVYOX-CQSZACIVSA-N 2 2 347.463 1.337 20 0 EDADLP Cn1c(Cl)cnc1-c1csc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000852845167 595572207 /nfs/dbraw/zinc/57/22/07/595572207.db2.gz RSLOIULTDQGASR-MRVPVSSYSA-N 2 2 342.856 1.415 20 0 EDADLP COCCN(CCF)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000852851349 595575147 /nfs/dbraw/zinc/57/51/47/595575147.db2.gz POTLOCWOFGJPEZ-KRWDZBQOSA-N 2 2 348.422 1.246 20 0 EDADLP COC(=O)N(C)CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000853119829 595670900 /nfs/dbraw/zinc/67/09/00/595670900.db2.gz YZWQNEJKZYYSDQ-AWEZNQCLSA-N 2 2 334.420 1.302 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858248414 595742789 /nfs/dbraw/zinc/74/27/89/595742789.db2.gz SPOCUSOMYCNSTR-KBPBESRZSA-N 2 2 327.469 1.600 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858248414 595742793 /nfs/dbraw/zinc/74/27/93/595742793.db2.gz SPOCUSOMYCNSTR-KBPBESRZSA-N 2 2 327.469 1.600 20 0 EDADLP CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850178579 595764676 /nfs/dbraw/zinc/76/46/76/595764676.db2.gz CQAZVCNSUNGOAZ-UHFFFAOYSA-N 2 2 329.404 1.976 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)n1C ZINC000850184268 595765880 /nfs/dbraw/zinc/76/58/80/595765880.db2.gz OFGYPKSAFIPOBK-UHFFFAOYSA-N 2 2 340.371 1.132 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000850432536 595832735 /nfs/dbraw/zinc/83/27/35/595832735.db2.gz ZMESQKHQULURNP-UYSNPLJNSA-N 2 2 327.469 1.744 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000850432536 595832737 /nfs/dbraw/zinc/83/27/37/595832737.db2.gz ZMESQKHQULURNP-UYSNPLJNSA-N 2 2 327.469 1.744 20 0 EDADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858599880 595838282 /nfs/dbraw/zinc/83/82/82/595838282.db2.gz REOAMEVIYCPAPM-NEPJUHHUSA-N 2 2 326.828 1.108 20 0 EDADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858599880 595838284 /nfs/dbraw/zinc/83/82/84/595838284.db2.gz REOAMEVIYCPAPM-NEPJUHHUSA-N 2 2 326.828 1.108 20 0 EDADLP CCn1ncnc1CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000853686154 595855540 /nfs/dbraw/zinc/85/55/40/595855540.db2.gz VFMXOYAHJKLPFK-HNNXBMFYSA-N 2 2 344.419 1.197 20 0 EDADLP CCn1ncnc1CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000853686154 595855542 /nfs/dbraw/zinc/85/55/42/595855542.db2.gz VFMXOYAHJKLPFK-HNNXBMFYSA-N 2 2 344.419 1.197 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c21)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000851661220 595872993 /nfs/dbraw/zinc/87/29/93/595872993.db2.gz HBVYFPCOPLWVDZ-JYJNAYRXSA-N 2 2 343.406 1.912 20 0 EDADLP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nc(N)[nH+]1 ZINC000853769397 595875849 /nfs/dbraw/zinc/87/58/49/595875849.db2.gz URWLUOGLUJZFPH-CVEARBPZSA-N 2 2 325.416 1.457 20 0 EDADLP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nc(N)[nH+]1 ZINC000853769397 595875850 /nfs/dbraw/zinc/87/58/50/595875850.db2.gz URWLUOGLUJZFPH-CVEARBPZSA-N 2 2 325.416 1.457 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853824172 595892660 /nfs/dbraw/zinc/89/26/60/595892660.db2.gz XFEBEVUYVAOGTI-HOTGVXAUSA-N 3 2 327.517 1.042 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853824172 595892662 /nfs/dbraw/zinc/89/26/62/595892662.db2.gz XFEBEVUYVAOGTI-HOTGVXAUSA-N 3 2 327.517 1.042 20 0 EDADLP CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000861347533 595953558 /nfs/dbraw/zinc/95/35/58/595953558.db2.gz JZDQHVYXZBLATK-PBHICJAKSA-N 2 2 330.388 1.533 20 0 EDADLP CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000861347533 595953560 /nfs/dbraw/zinc/95/35/60/595953560.db2.gz JZDQHVYXZBLATK-PBHICJAKSA-N 2 2 330.388 1.533 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018998 596010106 /nfs/dbraw/zinc/01/01/06/596010106.db2.gz SEGXDEITAXXUBO-MAUKXSAKSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018998 596010111 /nfs/dbraw/zinc/01/01/11/596010111.db2.gz SEGXDEITAXXUBO-MAUKXSAKSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018998 596010115 /nfs/dbraw/zinc/01/01/15/596010115.db2.gz SEGXDEITAXXUBO-MAUKXSAKSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000852018998 596010120 /nfs/dbraw/zinc/01/01/20/596010120.db2.gz SEGXDEITAXXUBO-MAUKXSAKSA-N 2 2 343.512 1.924 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C=O)ccc1F ZINC000859359706 596064580 /nfs/dbraw/zinc/06/45/80/596064580.db2.gz XSUCRYDYCANNCF-UHFFFAOYSA-N 2 2 335.423 1.736 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C=O)ccc1F ZINC000859359706 596064583 /nfs/dbraw/zinc/06/45/83/596064583.db2.gz XSUCRYDYCANNCF-UHFFFAOYSA-N 2 2 335.423 1.736 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n2c1CCCC2 ZINC000856769154 596077718 /nfs/dbraw/zinc/07/77/18/596077718.db2.gz IMGCLYIGNOTRNA-GOEBONIOSA-N 2 2 347.459 1.564 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)n2c1CCCC2 ZINC000856769154 596077722 /nfs/dbraw/zinc/07/77/22/596077722.db2.gz IMGCLYIGNOTRNA-GOEBONIOSA-N 2 2 347.459 1.564 20 0 EDADLP COCC[N@H+](CCF)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852483951 596179273 /nfs/dbraw/zinc/17/92/73/596179273.db2.gz SDCSDKJNGVWAJW-UHFFFAOYSA-N 2 2 338.427 1.038 20 0 EDADLP COCC[N@@H+](CCF)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000852483951 596179276 /nfs/dbraw/zinc/17/92/76/596179276.db2.gz SDCSDKJNGVWAJW-UHFFFAOYSA-N 2 2 338.427 1.038 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000866609951 596267815 /nfs/dbraw/zinc/26/78/15/596267815.db2.gz MLDKMVBAWDLJNW-INIZCTEOSA-N 2 2 346.406 1.385 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000868734850 596289572 /nfs/dbraw/zinc/28/95/72/596289572.db2.gz ASGKTRVRYPJBRC-RHSMWYFYSA-N 2 2 328.416 1.424 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000868734850 596289574 /nfs/dbraw/zinc/28/95/74/596289574.db2.gz ASGKTRVRYPJBRC-RHSMWYFYSA-N 2 2 328.416 1.424 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000866716899 596308288 /nfs/dbraw/zinc/30/82/88/596308288.db2.gz UEPLZTLPPOZXTJ-XHDPSFHLSA-N 2 2 329.404 1.281 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000866716899 596308291 /nfs/dbraw/zinc/30/82/91/596308291.db2.gz UEPLZTLPPOZXTJ-XHDPSFHLSA-N 2 2 329.404 1.281 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CSCCS3)c2)CC1 ZINC000870666661 596315943 /nfs/dbraw/zinc/31/59/43/596315943.db2.gz JBONJTCTUVDUMG-ZDUSSCGKSA-N 2 2 338.502 1.621 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870890890 596392136 /nfs/dbraw/zinc/39/21/36/596392136.db2.gz JSAPOUOXKRHEDZ-GJYPPUQNSA-N 2 2 329.444 1.893 20 0 EDADLP CC(C)[NH+]1CCC(CCNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000870955687 596417434 /nfs/dbraw/zinc/41/74/34/596417434.db2.gz XAKALYGKIBEXSG-KRWDZBQOSA-N 2 2 335.496 1.650 20 0 EDADLP COCc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000869244281 596460405 /nfs/dbraw/zinc/46/04/05/596460405.db2.gz WSHCDYMYBMYCNL-UHFFFAOYSA-N 2 2 325.428 1.585 20 0 EDADLP COCc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000869244281 596460408 /nfs/dbraw/zinc/46/04/08/596460408.db2.gz WSHCDYMYBMYCNL-UHFFFAOYSA-N 2 2 325.428 1.585 20 0 EDADLP CC[S@@](=O)CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865457827 596580904 /nfs/dbraw/zinc/58/09/04/596580904.db2.gz TVQCMZIYGMJKAB-HSZRJFAPSA-N 2 2 340.489 1.256 20 0 EDADLP C[C@H](O)c1ccc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000865529313 596601590 /nfs/dbraw/zinc/60/15/90/596601590.db2.gz DVYQGKKDKVZTAK-HNNXBMFYSA-N 2 2 346.475 1.515 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@H+](CC(C)(C)O)C3)[nH+]c12 ZINC000869781196 596632980 /nfs/dbraw/zinc/63/29/80/596632980.db2.gz ITUKDRWZXUWAPD-AWEZNQCLSA-N 2 2 330.432 1.147 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@@H+](CC(C)(C)O)C3)[nH+]c12 ZINC000869781196 596632983 /nfs/dbraw/zinc/63/29/83/596632983.db2.gz ITUKDRWZXUWAPD-AWEZNQCLSA-N 2 2 330.432 1.147 20 0 EDADLP C[C@H]1CN(c2cc(NCc3ccccc3)[nH+]cn2)CC[N@@H+]1CCO ZINC000865690169 596652141 /nfs/dbraw/zinc/65/21/41/596652141.db2.gz WVHIGIVQQVQHEH-HNNXBMFYSA-N 2 2 327.432 1.592 20 0 EDADLP C[C@H]1CN(c2cc(NCc3ccccc3)[nH+]cn2)CC[N@H+]1CCO ZINC000865690169 596652142 /nfs/dbraw/zinc/65/21/42/596652142.db2.gz WVHIGIVQQVQHEH-HNNXBMFYSA-N 2 2 327.432 1.592 20 0 EDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H](O)[C@@H](C)O)c[nH+]c12 ZINC000865739948 596665754 /nfs/dbraw/zinc/66/57/54/596665754.db2.gz YAHXPLNFYFELLH-BXKDBHETSA-N 2 2 328.210 1.237 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000865745022 596667328 /nfs/dbraw/zinc/66/73/28/596667328.db2.gz BTTKMGQMNZPFBD-HUUCEWRRSA-N 2 2 346.431 1.794 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CC[NH+](C[C@H](O)C[C@@](C)(O)C3CC3)CC2)S1 ZINC000863968896 596737746 /nfs/dbraw/zinc/73/77/46/596737746.db2.gz QEVVZHKFMBQMNQ-XNRPHZJLSA-N 2 2 327.494 1.007 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870085484 596742887 /nfs/dbraw/zinc/74/28/87/596742887.db2.gz MBJUURXLULNBJO-GOEBONIOSA-N 2 2 326.400 1.324 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)c(N(C)C)[nH+]1 ZINC000868261387 596752525 /nfs/dbraw/zinc/75/25/25/596752525.db2.gz SNGVIEACTHHSAU-ZDUSSCGKSA-N 2 2 333.436 1.124 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[NH2+]2)c1 ZINC000870153763 596777122 /nfs/dbraw/zinc/77/71/22/596777122.db2.gz XUONZBNGDGYCGN-SFHVURJKSA-N 2 2 331.460 1.900 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868318526 596786169 /nfs/dbraw/zinc/78/61/69/596786169.db2.gz FBVFZUHPIIAPKE-XVNBXDOJSA-N 2 2 335.448 1.448 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000868318526 596786171 /nfs/dbraw/zinc/78/61/71/596786171.db2.gz FBVFZUHPIIAPKE-XVNBXDOJSA-N 2 2 335.448 1.448 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000868354001 596797308 /nfs/dbraw/zinc/79/73/08/596797308.db2.gz ANZBZBGLIASWEY-INIZCTEOSA-N 2 2 334.489 1.521 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000868354001 596797310 /nfs/dbraw/zinc/79/73/10/596797310.db2.gz ANZBZBGLIASWEY-INIZCTEOSA-N 2 2 334.489 1.521 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)n1C ZINC000868374429 596811062 /nfs/dbraw/zinc/81/10/62/596811062.db2.gz RTMWLWNGEQBTBC-MRXNPFEDSA-N 2 2 342.447 1.472 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)n1C ZINC000868374429 596811066 /nfs/dbraw/zinc/81/10/66/596811066.db2.gz RTMWLWNGEQBTBC-MRXNPFEDSA-N 2 2 342.447 1.472 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000872154083 596815124 /nfs/dbraw/zinc/81/51/24/596815124.db2.gz LSXXTCUJOXLMOF-HNAYVOBHSA-N 2 2 346.450 1.016 20 0 EDADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000872154083 596815125 /nfs/dbraw/zinc/81/51/25/596815125.db2.gz LSXXTCUJOXLMOF-HNAYVOBHSA-N 2 2 346.450 1.016 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)nc[nH+]2)C1 ZINC000866208505 596827980 /nfs/dbraw/zinc/82/79/80/596827980.db2.gz MRMYXAWNYXMYEX-JJXSEGSLSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@H](CC[N@H+]4C)C3)nc[nH+]2)C1 ZINC000866208505 596827981 /nfs/dbraw/zinc/82/79/81/596827981.db2.gz MRMYXAWNYXMYEX-JJXSEGSLSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)[nH+]cn2)C1 ZINC000866208505 596827983 /nfs/dbraw/zinc/82/79/83/596827983.db2.gz MRMYXAWNYXMYEX-JJXSEGSLSA-N 2 2 331.464 1.214 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@H]4[C@H](CC[N@H+]4C)C3)[nH+]cn2)C1 ZINC000866208505 596827986 /nfs/dbraw/zinc/82/79/86/596827986.db2.gz MRMYXAWNYXMYEX-JJXSEGSLSA-N 2 2 331.464 1.214 20 0 EDADLP C[NH+]1CCN(C2CCN(c3nc(N)[nH+]c4c3CCCC4)CC2)CC1 ZINC000866212112 596829405 /nfs/dbraw/zinc/82/94/05/596829405.db2.gz PDTUGYICEOUQEU-UHFFFAOYSA-N 2 2 330.480 1.154 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000872255606 596856637 /nfs/dbraw/zinc/85/66/37/596856637.db2.gz KCPVDNLCCGQESR-GDLCADMTSA-N 2 2 341.333 1.471 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000872255606 596856638 /nfs/dbraw/zinc/85/66/38/596856638.db2.gz KCPVDNLCCGQESR-GDLCADMTSA-N 2 2 341.333 1.471 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000875709906 596955989 /nfs/dbraw/zinc/95/59/89/596955989.db2.gz MDVKUBZFQSIYTR-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000875709906 596955992 /nfs/dbraw/zinc/95/59/92/596955992.db2.gz MDVKUBZFQSIYTR-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000875709906 596955994 /nfs/dbraw/zinc/95/59/94/596955994.db2.gz MDVKUBZFQSIYTR-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000875709906 596955997 /nfs/dbraw/zinc/95/59/97/596955997.db2.gz MDVKUBZFQSIYTR-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000874703390 597147693 /nfs/dbraw/zinc/14/76/93/597147693.db2.gz PQIFBTSEBVDYKU-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000874703390 597147697 /nfs/dbraw/zinc/14/76/97/597147697.db2.gz PQIFBTSEBVDYKU-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000874703390 597147699 /nfs/dbraw/zinc/14/76/99/597147699.db2.gz PQIFBTSEBVDYKU-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000874703390 597147701 /nfs/dbraw/zinc/14/77/01/597147701.db2.gz PQIFBTSEBVDYKU-ZWKOTPCHSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000874705270 597149938 /nfs/dbraw/zinc/14/99/38/597149938.db2.gz BTVLEGXCTNYHGF-QZTJIDSGSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000874705270 597149940 /nfs/dbraw/zinc/14/99/40/597149940.db2.gz BTVLEGXCTNYHGF-QZTJIDSGSA-N 2 2 333.476 1.906 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000874822002 597184468 /nfs/dbraw/zinc/18/44/68/597184468.db2.gz FWAJFJDPMHAWCT-GUDVDZBRSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000874822002 597184469 /nfs/dbraw/zinc/18/44/69/597184469.db2.gz FWAJFJDPMHAWCT-GUDVDZBRSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000874822002 597184470 /nfs/dbraw/zinc/18/44/70/597184470.db2.gz FWAJFJDPMHAWCT-GUDVDZBRSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000874822002 597184471 /nfs/dbraw/zinc/18/44/71/597184471.db2.gz FWAJFJDPMHAWCT-GUDVDZBRSA-N 2 2 343.471 1.965 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873227264 597234025 /nfs/dbraw/zinc/23/40/25/597234025.db2.gz DXSVBHDORJVFJI-SMDDNHRTSA-N 2 2 332.370 1.711 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873227264 597234026 /nfs/dbraw/zinc/23/40/26/597234026.db2.gz DXSVBHDORJVFJI-SMDDNHRTSA-N 2 2 332.370 1.711 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1cccc(S(N)(=O)=O)c1 ZINC000873237112 597235705 /nfs/dbraw/zinc/23/57/05/597235705.db2.gz MPVOMYBDORPDPS-GXTWGEPZSA-N 2 2 325.478 1.763 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H]1C(F)(F)F ZINC000873310389 597253082 /nfs/dbraw/zinc/25/30/82/597253082.db2.gz UTWDBTMPPMDRQC-MWLCHTKSSA-N 2 2 327.310 1.935 20 0 EDADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000876730643 597310454 /nfs/dbraw/zinc/31/04/54/597310454.db2.gz INOHWTWSJSKTRO-QGZVFWFLSA-N 2 2 343.475 1.582 20 0 EDADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000876730643 597310458 /nfs/dbraw/zinc/31/04/58/597310458.db2.gz INOHWTWSJSKTRO-QGZVFWFLSA-N 2 2 343.475 1.582 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000875171953 597313616 /nfs/dbraw/zinc/31/36/16/597313616.db2.gz UPPKIRAQIGFIOH-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000875171953 597313619 /nfs/dbraw/zinc/31/36/19/597313619.db2.gz UPPKIRAQIGFIOH-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000875189616 597320965 /nfs/dbraw/zinc/32/09/65/597320965.db2.gz MZJHBBOQIRJQHP-ZBFHGGJFSA-N 2 2 337.468 1.238 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000875189616 597320968 /nfs/dbraw/zinc/32/09/68/597320968.db2.gz MZJHBBOQIRJQHP-ZBFHGGJFSA-N 2 2 337.468 1.238 20 0 EDADLP C[C@@H](c1cccc(NC(=O)c2c(C[NH3+])cnn2C)c1)[NH+]1CCOCC1 ZINC000876755716 597323776 /nfs/dbraw/zinc/32/37/76/597323776.db2.gz MFMJVKYJWPAFFJ-ZDUSSCGKSA-N 2 2 343.431 1.524 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793842 597342207 /nfs/dbraw/zinc/34/22/07/597342207.db2.gz XIHPEMRUAWZCSO-UHFFFAOYSA-N 2 2 326.400 1.794 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875371062 597403689 /nfs/dbraw/zinc/40/36/89/597403689.db2.gz CYNLSMXZOGHAST-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875371062 597403694 /nfs/dbraw/zinc/40/36/94/597403694.db2.gz CYNLSMXZOGHAST-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(CCC12CC(C1)C[NH2+]2)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877202044 597460804 /nfs/dbraw/zinc/46/08/04/597460804.db2.gz WZZDMPRYWQQDMD-UHFFFAOYSA-N 2 2 346.500 1.783 20 0 EDADLP Cc1cn2ccc(C(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2[nH+]1 ZINC000877353461 597499214 /nfs/dbraw/zinc/49/92/14/597499214.db2.gz RAZFKGQMUNCOAN-NEPJUHHUSA-N 2 2 326.322 1.852 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877358682 597500728 /nfs/dbraw/zinc/50/07/28/597500728.db2.gz CXWTWZWCZYPZOS-RYUDHWBXSA-N 2 2 340.349 1.940 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000877438180 597515623 /nfs/dbraw/zinc/51/56/23/597515623.db2.gz JRADVEGJSYILRO-LJQANCHMSA-N 2 2 346.519 1.953 20 0 EDADLP C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877462841 597519551 /nfs/dbraw/zinc/51/95/51/597519551.db2.gz VZMRDDPWQZIBCS-MRXNPFEDSA-N 2 2 347.459 1.060 20 0 EDADLP C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000877462841 597519552 /nfs/dbraw/zinc/51/95/52/597519552.db2.gz VZMRDDPWQZIBCS-MRXNPFEDSA-N 2 2 347.459 1.060 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000877480758 597523291 /nfs/dbraw/zinc/52/32/91/597523291.db2.gz HCSLIQGTAMBREX-GDBMZVCRSA-N 2 2 330.436 1.570 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000877480758 597523292 /nfs/dbraw/zinc/52/32/92/597523292.db2.gz HCSLIQGTAMBREX-GDBMZVCRSA-N 2 2 330.436 1.570 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878054552 597572329 /nfs/dbraw/zinc/57/23/29/597572329.db2.gz GCNRHSOGUFYAPW-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000878080136 597576605 /nfs/dbraw/zinc/57/66/05/597576605.db2.gz FSPOPKUANXYNIN-AWEZNQCLSA-N 2 2 340.431 1.381 20 0 EDADLP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878518092 597620473 /nfs/dbraw/zinc/62/04/73/597620473.db2.gz HPSGJEQOZMXPGN-GOSISDBHSA-N 2 2 339.480 1.395 20 0 EDADLP CCC[C@]1(C(=O)OCC)CCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878518092 597620474 /nfs/dbraw/zinc/62/04/74/597620474.db2.gz HPSGJEQOZMXPGN-GOSISDBHSA-N 2 2 339.480 1.395 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)CCCC[NH+]2CCCCC2)CCO1 ZINC000883271809 597697549 /nfs/dbraw/zinc/69/75/49/597697549.db2.gz WMFRAFMQWGJRLG-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)CCCC[NH+]2CCCCC2)CCO1 ZINC000883271809 597697550 /nfs/dbraw/zinc/69/75/50/597697550.db2.gz WMFRAFMQWGJRLG-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@H](CCc1cccnc1)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371480 597725411 /nfs/dbraw/zinc/72/54/11/597725411.db2.gz MBQXTEYXMVZVSO-UYAOXDASSA-N 2 2 346.519 1.789 20 0 EDADLP CO[C@H]1C[NH+](CC[Si](C)(C)CC[N@@H+]2CCO[C@@H](OC)C2)CCO1 ZINC000878969231 597770137 /nfs/dbraw/zinc/77/01/37/597770137.db2.gz OFFFWYWXUMNGLF-HZPDHXFCSA-N 2 2 346.544 1.304 20 0 EDADLP CO[C@H]1C[NH+](CC[Si](C)(C)CC[N@H+]2CCO[C@@H](OC)C2)CCO1 ZINC000878969231 597770138 /nfs/dbraw/zinc/77/01/38/597770138.db2.gz OFFFWYWXUMNGLF-HZPDHXFCSA-N 2 2 346.544 1.304 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](c3nc(C)cs3)C2)CC1 ZINC000880010916 597807721 /nfs/dbraw/zinc/80/77/21/597807721.db2.gz ZNHFIZNQVRKVEO-CABCVRRESA-N 2 2 336.505 1.793 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](c3nc(C)cs3)C2)CC1 ZINC000880010916 597807723 /nfs/dbraw/zinc/80/77/23/597807723.db2.gz ZNHFIZNQVRKVEO-CABCVRRESA-N 2 2 336.505 1.793 20 0 EDADLP CCO[C@H](C)c1noc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)n1 ZINC000879125078 597826772 /nfs/dbraw/zinc/82/67/72/597826772.db2.gz OJNWJVRVAFPEMO-CQSZACIVSA-N 2 2 340.468 1.957 20 0 EDADLP CCO[C@H](C)c1noc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)n1 ZINC000879125078 597826776 /nfs/dbraw/zinc/82/67/76/597826776.db2.gz OJNWJVRVAFPEMO-CQSZACIVSA-N 2 2 340.468 1.957 20 0 EDADLP CCC1([NH+]2CCCCC2)CC[NH+](CCCS(=O)(=O)NC)CC1 ZINC000880256861 597885192 /nfs/dbraw/zinc/88/51/92/597885192.db2.gz OROLQWFKWRDGDG-UHFFFAOYSA-N 2 2 331.526 1.656 20 0 EDADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000883894475 597934256 /nfs/dbraw/zinc/93/42/56/597934256.db2.gz FQEDGZHTQDPULC-DOTOQJQBSA-N 2 2 331.464 1.564 20 0 EDADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000883894475 597934258 /nfs/dbraw/zinc/93/42/58/597934258.db2.gz FQEDGZHTQDPULC-DOTOQJQBSA-N 2 2 331.464 1.564 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)C1 ZINC000882330707 597936262 /nfs/dbraw/zinc/93/62/62/597936262.db2.gz WMRYCCUPKYIGQJ-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCOC(C)(C)C)CC2)C1 ZINC000882330707 597936263 /nfs/dbraw/zinc/93/62/63/597936263.db2.gz WMRYCCUPKYIGQJ-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884058391 597981806 /nfs/dbraw/zinc/98/18/06/597981806.db2.gz JELYDJWPVVHTHO-CVEARBPZSA-N 2 2 347.463 1.022 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884184053 598017873 /nfs/dbraw/zinc/01/78/73/598017873.db2.gz DYMRLVSMFUCQOB-HNNXBMFYSA-N 2 2 330.432 1.140 20 0 EDADLP C[C@H](O)CNc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc[nH+]1 ZINC000882726391 598034475 /nfs/dbraw/zinc/03/44/75/598034475.db2.gz SKKFUBXMFQJVMA-ZFWWWQNUSA-N 2 2 335.452 1.007 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000914081100 695078013 /nfs/dbraw/zinc/07/80/13/695078013.db2.gz POSQRTRNZUSQTJ-CYBMUJFWSA-N 2 2 339.509 1.878 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000914150554 695159523 /nfs/dbraw/zinc/15/95/23/695159523.db2.gz OSMGSVWDRAUNDK-JSGCOSHPSA-N 2 2 337.493 1.631 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000914150554 695159524 /nfs/dbraw/zinc/15/95/24/695159524.db2.gz OSMGSVWDRAUNDK-JSGCOSHPSA-N 2 2 337.493 1.631 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031034398 695240714 /nfs/dbraw/zinc/24/07/14/695240714.db2.gz PLYWSJDYHOZDPI-HNNXBMFYSA-N 2 2 334.464 1.624 20 0 EDADLP CO[C@H](C[NH+]1CC(NC(=O)Cn2cc[nH+]c2C(C)C)C1)C1CCC1 ZINC001031034554 695241135 /nfs/dbraw/zinc/24/11/35/695241135.db2.gz VFAYSNCFIJJECV-MRXNPFEDSA-N 2 2 334.464 1.622 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC000992733691 695248678 /nfs/dbraw/zinc/24/86/78/695248678.db2.gz YSJPHIDVNOUNDL-IMJJTQAJSA-N 2 2 335.423 1.819 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939856530 699995452 /nfs/dbraw/zinc/99/54/52/699995452.db2.gz NTNLYSZSZNKLBJ-MLGOLLRUSA-N 2 2 334.370 1.798 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939856975 699996110 /nfs/dbraw/zinc/99/61/10/699996110.db2.gz RBZRDEYQAUKJGQ-TZMCWYRMSA-N 2 2 333.823 1.568 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)c(C)s1 ZINC000939858000 699997220 /nfs/dbraw/zinc/99/72/20/699997220.db2.gz WEBXSJYVCXGJRL-XHDPSFHLSA-N 2 2 333.461 1.593 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c(C)c(C)[nH+]1 ZINC001060476326 695405924 /nfs/dbraw/zinc/40/59/24/695405924.db2.gz ASSMATUUMZHQCU-RGVDIWCNSA-N 2 2 343.475 1.150 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c(C)c(C)[nH+]1 ZINC001060476326 695405926 /nfs/dbraw/zinc/40/59/26/695405926.db2.gz ASSMATUUMZHQCU-RGVDIWCNSA-N 2 2 343.475 1.150 20 0 EDADLP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992867772 695414399 /nfs/dbraw/zinc/41/43/99/695414399.db2.gz YISGGDZKBDJYLF-VNQPRFMTSA-N 2 2 342.447 1.103 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992926514 695457657 /nfs/dbraw/zinc/45/76/57/695457657.db2.gz SECWYLSRSOHXRE-ARFHVFGLSA-N 2 2 343.431 1.596 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929846491 695640094 /nfs/dbraw/zinc/64/00/94/695640094.db2.gz ONYFIDBYLGTLTF-IRXDYDNUSA-N 2 2 335.492 1.717 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929846491 695640097 /nfs/dbraw/zinc/64/00/97/695640097.db2.gz ONYFIDBYLGTLTF-IRXDYDNUSA-N 2 2 335.492 1.717 20 0 EDADLP CCn1cc(CC[NH+]2CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)cn1 ZINC001031188662 695707412 /nfs/dbraw/zinc/70/74/12/695707412.db2.gz WZNHMHAJSHHZSE-UHFFFAOYSA-N 2 2 347.507 1.366 20 0 EDADLP CN(C)c1cccc(C[NH+]2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001031252516 696015800 /nfs/dbraw/zinc/01/58/00/696015800.db2.gz HPKQWDQZSSAJFY-MRXNPFEDSA-N 2 2 330.476 1.395 20 0 EDADLP CN(C)c1cccc(C[NH+]2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031252516 696015803 /nfs/dbraw/zinc/01/58/03/696015803.db2.gz HPKQWDQZSSAJFY-MRXNPFEDSA-N 2 2 330.476 1.395 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001031260252 696067153 /nfs/dbraw/zinc/06/71/53/696067153.db2.gz NSVZHLUKQZPPCO-UGSOOPFHSA-N 2 2 331.435 1.955 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+]([C@H]3CCc4c3cccc4F)C2)C1 ZINC001031260252 696067158 /nfs/dbraw/zinc/06/71/58/696067158.db2.gz NSVZHLUKQZPPCO-UGSOOPFHSA-N 2 2 331.435 1.955 20 0 EDADLP COc1ccccc1CCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031266400 696078805 /nfs/dbraw/zinc/07/88/05/696078805.db2.gz RLZAKOCFNSUTTN-UHFFFAOYSA-N 2 2 343.471 1.524 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)nn1 ZINC000994412359 696838208 /nfs/dbraw/zinc/83/82/08/696838208.db2.gz UXZOTBTUGONGSE-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)nn1 ZINC000994412359 696838212 /nfs/dbraw/zinc/83/82/12/696838212.db2.gz UXZOTBTUGONGSE-GOEBONIOSA-N 2 2 347.463 1.050 20 0 EDADLP COc1ccccc1CCC[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389646 697010725 /nfs/dbraw/zinc/01/07/25/697010725.db2.gz SYAXWGWIQVPNGY-UHFFFAOYSA-N 2 2 331.460 1.524 20 0 EDADLP CC[C@H](C)[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930135270 697462169 /nfs/dbraw/zinc/46/21/69/697462169.db2.gz CWEIQBXNRNOCGZ-YLFCFFPRSA-N 2 2 325.497 1.532 20 0 EDADLP CC[C@H](C)[C@H](C(=O)OC)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930135270 697462170 /nfs/dbraw/zinc/46/21/70/697462170.db2.gz CWEIQBXNRNOCGZ-YLFCFFPRSA-N 2 2 325.497 1.532 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669533 697464920 /nfs/dbraw/zinc/46/49/20/697464920.db2.gz MTDMVLOQDZEOAV-HUUCEWRRSA-N 2 2 334.489 1.566 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669533 697464922 /nfs/dbraw/zinc/46/49/22/697464922.db2.gz MTDMVLOQDZEOAV-HUUCEWRRSA-N 2 2 334.489 1.566 20 0 EDADLP Cc1cccc(NCCNC(=O)NCc2c[nH+]c(N(C)C)n2C)[nH+]1 ZINC000921363590 697567699 /nfs/dbraw/zinc/56/76/99/697567699.db2.gz DWBRSTJLPUGITC-UHFFFAOYSA-N 2 2 331.424 1.101 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921437672 697612991 /nfs/dbraw/zinc/61/29/91/697612991.db2.gz DJPKLKHCBWKWPD-CYBMUJFWSA-N 2 2 339.509 1.878 20 0 EDADLP C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943176312 697870451 /nfs/dbraw/zinc/87/04/51/697870451.db2.gz JUKROXJBNFDFQT-CRAIPNDOSA-N 2 2 342.443 1.858 20 0 EDADLP C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943176312 697870456 /nfs/dbraw/zinc/87/04/56/697870456.db2.gz JUKROXJBNFDFQT-CRAIPNDOSA-N 2 2 342.443 1.858 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179365 697877693 /nfs/dbraw/zinc/87/76/93/697877693.db2.gz XQHNJIWUWYQCGS-BXUZGUMPSA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179365 697877698 /nfs/dbraw/zinc/87/76/98/697877698.db2.gz XQHNJIWUWYQCGS-BXUZGUMPSA-N 2 2 333.461 1.744 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179724 697878037 /nfs/dbraw/zinc/87/80/37/697878037.db2.gz YVHGIGGQVSZGQK-PXAZEXFGSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179724 697878041 /nfs/dbraw/zinc/87/80/41/697878041.db2.gz YVHGIGGQVSZGQK-PXAZEXFGSA-N 2 2 345.447 1.838 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)on1 ZINC001031728788 698035101 /nfs/dbraw/zinc/03/51/01/698035101.db2.gz AMCOWZZDCSYILN-MRXNPFEDSA-N 2 2 334.464 1.509 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)on1 ZINC001031728788 698035104 /nfs/dbraw/zinc/03/51/04/698035104.db2.gz AMCOWZZDCSYILN-MRXNPFEDSA-N 2 2 334.464 1.509 20 0 EDADLP CC[C@@H](C[NH+]1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1)OC ZINC001032098082 698692928 /nfs/dbraw/zinc/69/29/28/698692928.db2.gz IHJMEHYYSBVIPL-INIZCTEOSA-N 2 2 343.431 1.354 20 0 EDADLP CCc1noc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995156759 701561861 /nfs/dbraw/zinc/56/18/61/701561861.db2.gz XIRDZPMAFBNJTI-KGLIPLIRSA-N 2 2 345.447 1.886 20 0 EDADLP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000446292093 699110260 /nfs/dbraw/zinc/11/02/60/699110260.db2.gz PPVGBYKCZNFNDJ-UHFFFAOYSA-N 2 2 331.445 1.075 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181094624 699134345 /nfs/dbraw/zinc/13/43/45/699134345.db2.gz UVGFYCCWQKNAAL-LLVKDONJSA-N 2 2 335.433 1.393 20 0 EDADLP C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181094624 699134347 /nfs/dbraw/zinc/13/43/47/699134347.db2.gz UVGFYCCWQKNAAL-LLVKDONJSA-N 2 2 335.433 1.393 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031775940 699148957 /nfs/dbraw/zinc/14/89/57/699148957.db2.gz LIIOROMUZAQTID-GOSISDBHSA-N 2 2 338.455 1.736 20 0 EDADLP CCOC1CC(C[NH+]2CC(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001031779324 699176212 /nfs/dbraw/zinc/17/62/12/699176212.db2.gz OUJXUSQTUMUPSS-HQVVEAJESA-N 2 2 346.475 1.309 20 0 EDADLP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031779693 699184396 /nfs/dbraw/zinc/18/43/96/699184396.db2.gz ZDHPVXLOLVUDBL-KRWDZBQOSA-N 2 2 346.475 1.310 20 0 EDADLP Cc1oncc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995161679 701584777 /nfs/dbraw/zinc/58/47/77/701584777.db2.gz QBCUOPCBGLLQPQ-DZGCQCFKSA-N 2 2 331.420 1.334 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1 ZINC000939217029 699389500 /nfs/dbraw/zinc/38/95/00/699389500.db2.gz ZOHZJXVLTMHJNP-DYVFJYSZSA-N 2 2 328.416 1.598 20 0 EDADLP CCCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)o1 ZINC000939217040 699389672 /nfs/dbraw/zinc/38/96/72/699389672.db2.gz ZSEJJCCDXLFELX-DOMZBBRYSA-N 2 2 345.447 1.838 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000941599529 701592155 /nfs/dbraw/zinc/59/21/55/701592155.db2.gz AUUCVDWHMOUMBP-CVEARBPZSA-N 2 2 347.507 1.463 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000941599529 701592156 /nfs/dbraw/zinc/59/21/56/701592156.db2.gz AUUCVDWHMOUMBP-CVEARBPZSA-N 2 2 347.507 1.463 20 0 EDADLP Cc1ncsc1C[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031816583 699516841 /nfs/dbraw/zinc/51/68/41/699516841.db2.gz GFQZAOAWRXJRGO-UHFFFAOYSA-N 2 2 341.440 1.961 20 0 EDADLP Cc1noc(C)c1C[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031816693 699517473 /nfs/dbraw/zinc/51/74/73/699517473.db2.gz IYAOFKDEDYUMEC-UHFFFAOYSA-N 2 2 339.399 1.801 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)c1ccn2c[nH+]cc2c1 ZINC001031817439 699531460 /nfs/dbraw/zinc/53/14/60/699531460.db2.gz FXHZKJUNIXFATC-UHFFFAOYSA-N 2 2 327.413 1.653 20 0 EDADLP Cc1nn(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000183363168 701597730 /nfs/dbraw/zinc/59/77/30/701597730.db2.gz XXQKOHBLKKHBMT-UHFFFAOYSA-N 2 2 337.424 1.634 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939534090 699672371 /nfs/dbraw/zinc/67/23/71/699672371.db2.gz HOJRBCZULUHOFJ-SJCJKPOMSA-N 2 2 348.397 1.878 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cncs1 ZINC000939541641 699682453 /nfs/dbraw/zinc/68/24/53/699682453.db2.gz PAOBMYXKHBSXIV-DGCLKSJQSA-N 2 2 333.461 1.781 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)ncn1 ZINC000939543088 699683797 /nfs/dbraw/zinc/68/37/97/699683797.db2.gz ZMUMCPPZNQCAKY-WFASDCNBSA-N 2 2 342.447 1.422 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939551925 699701489 /nfs/dbraw/zinc/70/14/89/699701489.db2.gz USYLREQMNNMCKP-JSGCOSHPSA-N 2 2 345.472 1.854 20 0 EDADLP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939622895 699759913 /nfs/dbraw/zinc/75/99/13/699759913.db2.gz PFWHODDCOINMJJ-BDJLRTHQSA-N 2 2 331.420 1.448 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)s1 ZINC000939627408 699765289 /nfs/dbraw/zinc/76/52/89/699765289.db2.gz SJLGTHMUDMXCNJ-QMTHXVAHSA-N 2 2 333.461 1.662 20 0 EDADLP C[C@@H]1C[C@@H](C[NH+]2CC(CNC(=O)c3cccc4[nH+]ccn43)C2)CCO1 ZINC001031843641 699868115 /nfs/dbraw/zinc/86/81/15/699868115.db2.gz JXBOCMNDUCSXEG-CABCVRRESA-N 2 2 342.443 1.811 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ncnn2C(C)C)[C@@H](C)C1 ZINC000939749619 699896625 /nfs/dbraw/zinc/89/66/25/699896625.db2.gz WDXAYIVAUWJRFL-ZFWWWQNUSA-N 2 2 345.451 1.001 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ncc(C(C)C)o2)[C@@H](C)C1 ZINC000939752767 699902014 /nfs/dbraw/zinc/90/20/14/699902014.db2.gz ABPNFRVEHXCIRE-ZFWWWQNUSA-N 2 2 345.447 1.940 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)oc1C ZINC000939745988 699911743 /nfs/dbraw/zinc/91/17/43/699911743.db2.gz FROPBLCOTTVEHR-NHYWBVRUSA-N 2 2 331.420 1.433 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)oc1C ZINC000995166903 701632610 /nfs/dbraw/zinc/63/26/10/701632610.db2.gz ILKKBXAHPCIUPP-LSDHHAIUSA-N 2 2 345.447 1.642 20 0 EDADLP CC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243271 700404257 /nfs/dbraw/zinc/40/42/57/700404257.db2.gz KCXHYGSPXPMUQN-INIZCTEOSA-N 2 2 334.464 1.813 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940625659 700787758 /nfs/dbraw/zinc/78/77/58/700787758.db2.gz UIEMMDGXNUNKHT-KGLIPLIRSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)o1 ZINC000940625659 700787760 /nfs/dbraw/zinc/78/77/60/700787760.db2.gz UIEMMDGXNUNKHT-KGLIPLIRSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)o1 ZINC000940625659 700787762 /nfs/dbraw/zinc/78/77/62/700787762.db2.gz UIEMMDGXNUNKHT-KGLIPLIRSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940625659 700787764 /nfs/dbraw/zinc/78/77/64/700787764.db2.gz UIEMMDGXNUNKHT-KGLIPLIRSA-N 2 2 349.479 1.443 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)on1 ZINC000995105746 700942928 /nfs/dbraw/zinc/94/29/28/700942928.db2.gz HVCLLYLEUKZCBL-VXGBXAGGSA-N 2 2 333.392 1.024 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)nn1C ZINC000995107976 700960012 /nfs/dbraw/zinc/96/00/12/700960012.db2.gz STLTYFFAHGPCGB-KGLIPLIRSA-N 2 2 330.436 1.069 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940893657 700968621 /nfs/dbraw/zinc/96/86/21/700968621.db2.gz SFQQFSBBPBGSAN-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940893657 700968622 /nfs/dbraw/zinc/96/86/22/700968622.db2.gz SFQQFSBBPBGSAN-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920790 701059488 /nfs/dbraw/zinc/05/94/88/701059488.db2.gz RPZKDMOYUVRQGR-CRAIPNDOSA-N 2 2 337.508 1.724 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920790 701059490 /nfs/dbraw/zinc/05/94/90/701059490.db2.gz RPZKDMOYUVRQGR-CRAIPNDOSA-N 2 2 337.508 1.724 20 0 EDADLP CC1(C)C[N@H+](CC2CCOCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060617 701107418 /nfs/dbraw/zinc/10/74/18/701107418.db2.gz HZJOYLNUKQMFEM-MRXNPFEDSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@@H+](CC2CCOCC2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941060617 701107419 /nfs/dbraw/zinc/10/74/19/701107419.db2.gz HZJOYLNUKQMFEM-MRXNPFEDSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001031926124 701133760 /nfs/dbraw/zinc/13/37/60/701133760.db2.gz TYKRUYVZAOVZKH-ZOBUZTSGSA-N 2 2 345.491 1.624 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001031926124 701133762 /nfs/dbraw/zinc/13/37/62/701133762.db2.gz TYKRUYVZAOVZKH-ZOBUZTSGSA-N 2 2 345.491 1.624 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)sc1C ZINC000945806539 701196756 /nfs/dbraw/zinc/19/67/56/701196756.db2.gz DXJYBHDTNOKFAX-IUODEOHRSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)sc1C ZINC000945806539 701196757 /nfs/dbraw/zinc/19/67/57/701196757.db2.gz DXJYBHDTNOKFAX-IUODEOHRSA-N 2 2 347.488 1.983 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164641 701230332 /nfs/dbraw/zinc/23/03/32/701230332.db2.gz WIXIRPAOZNMASZ-HZPDHXFCSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164641 701230333 /nfs/dbraw/zinc/23/03/33/701230333.db2.gz WIXIRPAOZNMASZ-HZPDHXFCSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164641 701230337 /nfs/dbraw/zinc/23/03/37/701230337.db2.gz WIXIRPAOZNMASZ-HZPDHXFCSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941164641 701230341 /nfs/dbraw/zinc/23/03/41/701230341.db2.gz WIXIRPAOZNMASZ-HZPDHXFCSA-N 2 2 347.507 1.479 20 0 EDADLP CC1(C)C[N@H+](CC[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247462 701424099 /nfs/dbraw/zinc/42/40/99/701424099.db2.gz LJHJEQUAVVQLFV-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)C[N@@H+](CC[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247462 701424100 /nfs/dbraw/zinc/42/41/00/701424100.db2.gz LJHJEQUAVVQLFV-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247286 701424140 /nfs/dbraw/zinc/42/41/40/701424140.db2.gz HHABSUMFHKLDJL-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247286 701424142 /nfs/dbraw/zinc/42/41/42/701424142.db2.gz HHABSUMFHKLDJL-OAHLLOKOSA-N 2 2 331.420 1.596 20 0 EDADLP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC000941444657 701536318 /nfs/dbraw/zinc/53/63/18/701536318.db2.gz TYOQXPNWKXHQLH-IAGOWNOFSA-N 2 2 345.491 1.388 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001032128944 701803781 /nfs/dbraw/zinc/80/37/81/701803781.db2.gz MLJYMPGRLYKCQY-FUHWJXTLSA-N 2 2 348.466 1.889 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC000995175819 701805138 /nfs/dbraw/zinc/80/51/38/701805138.db2.gz BDFNHDGEODINFA-UKRRQHHQSA-N 2 2 330.436 1.069 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995180155 701945555 /nfs/dbraw/zinc/94/55/55/701945555.db2.gz DRNHRLCHQLQVHU-GDBMZVCRSA-N 2 2 344.463 1.377 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000995188954 702195699 /nfs/dbraw/zinc/19/56/99/702195699.db2.gz ZGZXHLPMSSHZOG-HUUCEWRRSA-N 2 2 327.432 1.730 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944101980 702216281 /nfs/dbraw/zinc/21/62/81/702216281.db2.gz XZZVHCFQRPNWDR-MLGOLLRUSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944101980 702216285 /nfs/dbraw/zinc/21/62/85/702216285.db2.gz XZZVHCFQRPNWDR-MLGOLLRUSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944097360 702262039 /nfs/dbraw/zinc/26/20/39/702262039.db2.gz HBCYCRRKCQFQFW-MLGOLLRUSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944097360 702262044 /nfs/dbraw/zinc/26/20/44/702262044.db2.gz HBCYCRRKCQFQFW-MLGOLLRUSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)oc1C ZINC000995192357 702302355 /nfs/dbraw/zinc/30/23/55/702302355.db2.gz BJGHBUVMBZBXKF-HZPDHXFCSA-N 2 2 345.447 1.871 20 0 EDADLP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1)C1CCC1 ZINC001031987210 702413919 /nfs/dbraw/zinc/41/39/19/702413919.db2.gz XSIBTPWSRISSEQ-NUJGCVRESA-N 2 2 346.475 1.387 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+][C@H](C)c2csnn2)C(C)(C)C1 ZINC000996044810 702438647 /nfs/dbraw/zinc/43/86/47/702438647.db2.gz VNMUJDXQSBVQEN-TZMCWYRMSA-N 2 2 348.476 1.631 20 0 EDADLP Cn1cc(CC[NH2+][C@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996105691 702566140 /nfs/dbraw/zinc/56/61/40/702566140.db2.gz JZDWUIFCDYWYLP-INIZCTEOSA-N 2 2 344.463 1.076 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000996198052 702624699 /nfs/dbraw/zinc/62/46/99/702624699.db2.gz NFDCDROEEKORQE-OAHLLOKOSA-N 2 2 346.431 1.970 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996299726 702690499 /nfs/dbraw/zinc/69/04/99/702690499.db2.gz DEKSLELQBCMSET-OCCSQVGLSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH2+]Cc3cnsn3)C(C)(C)C2)C1 ZINC000996299726 702690502 /nfs/dbraw/zinc/69/05/02/702690502.db2.gz DEKSLELQBCMSET-OCCSQVGLSA-N 2 2 337.493 1.207 20 0 EDADLP CCc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)no1 ZINC000995211768 702698521 /nfs/dbraw/zinc/69/85/21/702698521.db2.gz ODDBBDLIHJPNRI-KGLIPLIRSA-N 2 2 335.452 1.102 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000996353709 702731790 /nfs/dbraw/zinc/73/17/90/702731790.db2.gz CTDWRCFXNKDHNS-INIZCTEOSA-N 2 2 342.447 1.122 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)n1 ZINC000996463425 702790745 /nfs/dbraw/zinc/79/07/45/702790745.db2.gz WQEIPWTZLPELDU-CQSZACIVSA-N 2 2 343.431 1.383 20 0 EDADLP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)cn1 ZINC000996454783 702799372 /nfs/dbraw/zinc/79/93/72/702799372.db2.gz CAYMPANHSQVHRU-OAHLLOKOSA-N 2 2 344.463 1.238 20 0 EDADLP CC(C)(C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996512586 702832054 /nfs/dbraw/zinc/83/20/54/702832054.db2.gz FCZRDXXYRNFVMU-ZDUSSCGKSA-N 2 2 348.476 1.566 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996513649 702833108 /nfs/dbraw/zinc/83/31/08/702833108.db2.gz IEHRJLQJXOGYKN-QGZVFWFLSA-N 2 2 341.459 1.693 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996515324 702850917 /nfs/dbraw/zinc/85/09/17/702850917.db2.gz QKGVUEXGMBTOLK-JKSUJKDBSA-N 2 2 334.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3csnn3)C(C)(C)C2)C1 ZINC000996518558 702854259 /nfs/dbraw/zinc/85/42/59/702854259.db2.gz KVLSPUIGGZPRRU-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3csnn3)C(C)(C)C2)C1 ZINC000996518558 702854261 /nfs/dbraw/zinc/85/42/61/702854261.db2.gz KVLSPUIGGZPRRU-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996568926 702881092 /nfs/dbraw/zinc/88/10/92/702881092.db2.gz OZFTVIZJXGMEOH-KRWDZBQOSA-N 2 2 341.459 1.775 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000995242656 702917667 /nfs/dbraw/zinc/91/76/67/702917667.db2.gz GZSHAADXSRFRNS-HUUCEWRRSA-N 2 2 342.447 1.101 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000996714712 703009877 /nfs/dbraw/zinc/00/98/77/703009877.db2.gz FUAYZIFRDSXDDV-KRWDZBQOSA-N 2 2 347.459 1.782 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC000942517728 703010831 /nfs/dbraw/zinc/01/08/31/703010831.db2.gz FEJVWKMHBBUWJZ-OCCSQVGLSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)n1 ZINC000942517728 703010834 /nfs/dbraw/zinc/01/08/34/703010834.db2.gz FEJVWKMHBBUWJZ-OCCSQVGLSA-N 2 2 346.435 1.164 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942518760 703020216 /nfs/dbraw/zinc/02/02/16/703020216.db2.gz WIAIOFQOOWWTGE-GDBMZVCRSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942518760 703020219 /nfs/dbraw/zinc/02/02/19/703020219.db2.gz WIAIOFQOOWWTGE-GDBMZVCRSA-N 2 2 344.463 1.435 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996736598 703032750 /nfs/dbraw/zinc/03/27/50/703032750.db2.gz GTRCZUFHQBTXMU-HOTGVXAUSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H]3CCOC3)CC1)C2 ZINC000996754956 703043776 /nfs/dbraw/zinc/04/37/76/703043776.db2.gz FGMQINAAXSXSFK-LSDHHAIUSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC([NH2+]C[C@@H]3CCOC3)CC1)CC2 ZINC000996754956 703043777 /nfs/dbraw/zinc/04/37/77/703043777.db2.gz FGMQINAAXSXSFK-LSDHHAIUSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)cn1 ZINC001032026645 703044672 /nfs/dbraw/zinc/04/46/72/703044672.db2.gz HWLIAFSGSMZVPV-GOSISDBHSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)cn1 ZINC001032026645 703044673 /nfs/dbraw/zinc/04/46/73/703044673.db2.gz HWLIAFSGSMZVPV-GOSISDBHSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)o1 ZINC001032027134 703048786 /nfs/dbraw/zinc/04/87/86/703048786.db2.gz ORXREKOOVTYUSR-QGZVFWFLSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)o1 ZINC001032027134 703048789 /nfs/dbraw/zinc/04/87/89/703048789.db2.gz ORXREKOOVTYUSR-QGZVFWFLSA-N 2 2 334.464 1.794 20 0 EDADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060769249 703099110 /nfs/dbraw/zinc/09/91/10/703099110.db2.gz CNJZLDVLSLLDRX-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001060769249 703099112 /nfs/dbraw/zinc/09/91/12/703099112.db2.gz CNJZLDVLSLLDRX-SHTZXODSSA-N 2 2 349.479 1.085 20 0 EDADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C(F)(F)F ZINC000996856877 703134722 /nfs/dbraw/zinc/13/47/22/703134722.db2.gz LFLIRXJYEOVVSK-JSGCOSHPSA-N 2 2 346.397 1.988 20 0 EDADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC000996846354 703135589 /nfs/dbraw/zinc/13/55/89/703135589.db2.gz KZVYXWMQDCXYGM-CHWSQXEVSA-N 2 2 332.370 1.908 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)c1nc(C2CC2)no1 ZINC000997035739 703287753 /nfs/dbraw/zinc/28/77/53/703287753.db2.gz HHNYSAKLKKWQNN-LLVKDONJSA-N 2 2 344.419 1.554 20 0 EDADLP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)s1 ZINC000997043307 703291171 /nfs/dbraw/zinc/29/11/71/703291171.db2.gz XYQWQOQRNSRXEQ-UHFFFAOYSA-N 2 2 348.476 1.708 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1)c1ncccn1 ZINC000997052512 703300512 /nfs/dbraw/zinc/30/05/12/703300512.db2.gz WQKUJKBQUFQCKZ-LSDHHAIUSA-N 2 2 342.447 1.966 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1)c1cnccn1 ZINC000997084203 703322263 /nfs/dbraw/zinc/32/22/63/703322263.db2.gz KWQBKPZVIRTEHU-UONOGXRCSA-N 2 2 342.447 1.720 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1)c1cnccn1 ZINC000997084203 703322265 /nfs/dbraw/zinc/32/22/65/703322265.db2.gz KWQBKPZVIRTEHU-UONOGXRCSA-N 2 2 342.447 1.720 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCC([NH2+]C[C@H](C)O)CC3)[nH+]c12 ZINC000997093778 703341458 /nfs/dbraw/zinc/34/14/58/703341458.db2.gz SKBBKMPIAQWKSP-AWEZNQCLSA-N 2 2 330.432 1.147 20 0 EDADLP C[C@H](O)C[NH2+]C1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000997147334 703408070 /nfs/dbraw/zinc/40/80/70/703408070.db2.gz WNQMNFTUVRGLOT-AWEZNQCLSA-N 2 2 328.416 1.447 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997180801 703471070 /nfs/dbraw/zinc/47/10/70/703471070.db2.gz NJESESKSWHWMSE-CZUORRHYSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997180801 703471072 /nfs/dbraw/zinc/47/10/72/703471072.db2.gz NJESESKSWHWMSE-CZUORRHYSA-N 2 2 349.479 1.579 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CC2)n[nH]1 ZINC001032416791 703488555 /nfs/dbraw/zinc/48/85/55/703488555.db2.gz MSLXRMHFSRRKBK-MPGHIAIKSA-N 2 2 343.475 1.875 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CC2)n[nH]1 ZINC001032416791 703488556 /nfs/dbraw/zinc/48/85/56/703488556.db2.gz MSLXRMHFSRRKBK-MPGHIAIKSA-N 2 2 343.475 1.875 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CC2)n[nH]1 ZINC001032416791 703488557 /nfs/dbraw/zinc/48/85/57/703488557.db2.gz MSLXRMHFSRRKBK-MPGHIAIKSA-N 2 2 343.475 1.875 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CC2)n[nH]1 ZINC001032416791 703488558 /nfs/dbraw/zinc/48/85/58/703488558.db2.gz MSLXRMHFSRRKBK-MPGHIAIKSA-N 2 2 343.475 1.875 20 0 EDADLP CCn1ccc(C[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC000997222595 703500145 /nfs/dbraw/zinc/50/01/45/703500145.db2.gz SAGMDEXWVVGNBQ-UHFFFAOYSA-N 2 2 330.436 1.258 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)o1 ZINC001032445581 703614306 /nfs/dbraw/zinc/61/43/06/703614306.db2.gz LKGDFCGZWHWZTQ-YQQAZPJKSA-N 2 2 332.448 1.417 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)o1 ZINC001032445581 703614308 /nfs/dbraw/zinc/61/43/08/703614308.db2.gz LKGDFCGZWHWZTQ-YQQAZPJKSA-N 2 2 332.448 1.417 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000997413851 703668516 /nfs/dbraw/zinc/66/85/16/703668516.db2.gz PRBXIBUTLIEVRY-UHFFFAOYSA-N 2 2 334.370 1.942 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1sc(C)nc1C)[NH+](C)C ZINC001032474723 703694830 /nfs/dbraw/zinc/69/48/30/703694830.db2.gz JUAXBVHXUPZWDS-SOUVJXGZSA-N 2 2 336.505 1.885 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1sc(C)nc1C)[NH+](C)C ZINC001032474723 703694832 /nfs/dbraw/zinc/69/48/32/703694832.db2.gz JUAXBVHXUPZWDS-SOUVJXGZSA-N 2 2 336.505 1.885 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997529462 703782323 /nfs/dbraw/zinc/78/23/23/703782323.db2.gz CEQDJEWRQWELKM-YJBOKZPZSA-N 2 2 346.475 1.129 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997529462 703782325 /nfs/dbraw/zinc/78/23/25/703782325.db2.gz CEQDJEWRQWELKM-YJBOKZPZSA-N 2 2 346.475 1.129 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CCC[NH+]2CCC3)c1 ZINC001032498385 703797227 /nfs/dbraw/zinc/79/72/27/703797227.db2.gz RDNCCRNYKQYVSQ-ROUUACIJSA-N 2 2 340.471 1.804 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CCC[NH+]2CCC3)c1 ZINC001032498385 703797228 /nfs/dbraw/zinc/79/72/28/703797228.db2.gz RDNCCRNYKQYVSQ-ROUUACIJSA-N 2 2 340.471 1.804 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCC1CCOCC1 ZINC000947929671 703867190 /nfs/dbraw/zinc/86/71/90/703867190.db2.gz MUQVDSSTEDSEQQ-WBVHZDCISA-N 2 2 348.491 1.748 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCC1CCOCC1 ZINC000947929671 703867193 /nfs/dbraw/zinc/86/71/93/703867193.db2.gz MUQVDSSTEDSEQQ-WBVHZDCISA-N 2 2 348.491 1.748 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001004207773 703967017 /nfs/dbraw/zinc/96/70/17/703967017.db2.gz JHKRQWVPIRFORN-CJNGLKHVSA-N 2 2 349.479 1.894 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001004207773 703967020 /nfs/dbraw/zinc/96/70/20/703967020.db2.gz JHKRQWVPIRFORN-CJNGLKHVSA-N 2 2 349.479 1.894 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033074376 704117499 /nfs/dbraw/zinc/11/74/99/704117499.db2.gz ZQQXGNHOVDZRHU-NVXWUHKLSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033074376 704117501 /nfs/dbraw/zinc/11/75/01/704117501.db2.gz ZQQXGNHOVDZRHU-NVXWUHKLSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033074376 704117503 /nfs/dbraw/zinc/11/75/03/704117503.db2.gz ZQQXGNHOVDZRHU-NVXWUHKLSA-N 2 2 333.480 1.326 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033074376 704117504 /nfs/dbraw/zinc/11/75/04/704117504.db2.gz ZQQXGNHOVDZRHU-NVXWUHKLSA-N 2 2 333.480 1.326 20 0 EDADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033097178 704188969 /nfs/dbraw/zinc/18/89/69/704188969.db2.gz PXBZMYUMOQYROX-WBVHZDCISA-N 2 2 346.475 1.331 20 0 EDADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033097178 704188970 /nfs/dbraw/zinc/18/89/70/704188970.db2.gz PXBZMYUMOQYROX-WBVHZDCISA-N 2 2 346.475 1.331 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)no1 ZINC000997739745 704637832 /nfs/dbraw/zinc/63/78/32/704637832.db2.gz YISIYCBIGTVIDH-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997830285 704748941 /nfs/dbraw/zinc/74/89/41/704748941.db2.gz HEKHKPXLUIXJOF-OAHLLOKOSA-N 2 2 344.419 1.172 20 0 EDADLP Cc1nnc(C[NH+]2CCC([C@H](C)NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000997837327 704754844 /nfs/dbraw/zinc/75/48/44/704754844.db2.gz QLRFLFOYBPTDCE-ZDUSSCGKSA-N 2 2 347.463 1.191 20 0 EDADLP CCc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997869059 704774605 /nfs/dbraw/zinc/77/46/05/704774605.db2.gz XWNTWKWCGDIDTL-ZFWWWQNUSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997869059 704774607 /nfs/dbraw/zinc/77/46/07/704774607.db2.gz XWNTWKWCGDIDTL-ZFWWWQNUSA-N 2 2 349.479 1.300 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997881259 704785720 /nfs/dbraw/zinc/78/57/20/704785720.db2.gz QQUHJRSXVYRMLR-IAGOWNOFSA-N 2 2 346.475 1.310 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000944944525 704797227 /nfs/dbraw/zinc/79/72/27/704797227.db2.gz MYJRZWRMELJMNU-SUMWQHHRSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000944944525 704797229 /nfs/dbraw/zinc/79/72/29/704797229.db2.gz MYJRZWRMELJMNU-SUMWQHHRSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)s1 ZINC000944946497 704799399 /nfs/dbraw/zinc/79/93/99/704799399.db2.gz WTVGAUQXOZLGPI-OCCSQVGLSA-N 2 2 337.493 1.269 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)s1 ZINC000944946497 704799400 /nfs/dbraw/zinc/79/94/00/704799400.db2.gz WTVGAUQXOZLGPI-OCCSQVGLSA-N 2 2 337.493 1.269 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)oc1C ZINC000944946209 704799465 /nfs/dbraw/zinc/79/94/65/704799465.db2.gz VKEMBDWZMMKZOH-CZUORRHYSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)oc1C ZINC000944946209 704799467 /nfs/dbraw/zinc/79/94/67/704799467.db2.gz VKEMBDWZMMKZOH-CZUORRHYSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944965070 704834827 /nfs/dbraw/zinc/83/48/27/704834827.db2.gz POZNIQGXEYQWDR-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)o1 ZINC000944965070 704834830 /nfs/dbraw/zinc/83/48/30/704834830.db2.gz POZNIQGXEYQWDR-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)n1 ZINC000944965827 704837306 /nfs/dbraw/zinc/83/73/06/704837306.db2.gz VZGXTBAAYVQXKF-WMLDXEAASA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)n1 ZINC000944965827 704837312 /nfs/dbraw/zinc/83/73/12/704837312.db2.gz VZGXTBAAYVQXKF-WMLDXEAASA-N 2 2 344.463 1.435 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+][C@@H](C)c2csnn2)CC1 ZINC000997916938 704975843 /nfs/dbraw/zinc/97/58/43/704975843.db2.gz WXKLLEUEKXOFSC-ZDUSSCGKSA-N 2 2 348.476 1.632 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000997951526 705071088 /nfs/dbraw/zinc/07/10/88/705071088.db2.gz YJJASLIMSAAKOJ-JKSUJKDBSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000997951526 705071090 /nfs/dbraw/zinc/07/10/90/705071090.db2.gz YJJASLIMSAAKOJ-JKSUJKDBSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000997951526 705071092 /nfs/dbraw/zinc/07/10/92/705071092.db2.gz YJJASLIMSAAKOJ-JKSUJKDBSA-N 2 2 335.452 1.367 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000997951526 705071093 /nfs/dbraw/zinc/07/10/93/705071093.db2.gz YJJASLIMSAAKOJ-JKSUJKDBSA-N 2 2 335.452 1.367 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccn2)CC[N@@H+]1C ZINC001032587368 705113402 /nfs/dbraw/zinc/11/34/02/705113402.db2.gz WERSSGKIQCTRJK-LAQRGFTBSA-N 2 2 328.460 1.597 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccn2)CC[N@H+]1C ZINC001032587368 705113407 /nfs/dbraw/zinc/11/34/07/705113407.db2.gz WERSSGKIQCTRJK-LAQRGFTBSA-N 2 2 328.460 1.597 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccn2)CC[NH+]1C ZINC001032587368 705113411 /nfs/dbraw/zinc/11/34/11/705113411.db2.gz WERSSGKIQCTRJK-LAQRGFTBSA-N 2 2 328.460 1.597 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccn2)CC[NH+]1C ZINC001032587368 705113415 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348.491 1.873 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998127934 705390077 /nfs/dbraw/zinc/39/00/77/705390077.db2.gz VWONXVMWBAUBAT-BRWVUGGUSA-N 2 2 348.491 1.873 20 0 EDADLP CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000948647938 705423193 /nfs/dbraw/zinc/42/31/93/705423193.db2.gz NVOHCLOYYVCHBW-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000948647938 705423197 /nfs/dbraw/zinc/42/31/97/705423197.db2.gz NVOHCLOYYVCHBW-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000948647938 705423200 /nfs/dbraw/zinc/42/32/00/705423200.db2.gz NVOHCLOYYVCHBW-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000948647938 705423204 /nfs/dbraw/zinc/42/32/04/705423204.db2.gz NVOHCLOYYVCHBW-MSOLQXFVSA-N 2 2 337.508 1.820 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998221179 705545530 /nfs/dbraw/zinc/54/55/30/705545530.db2.gz DBDHQWZBDYVIKM-UHFFFAOYSA-N 2 2 333.461 1.448 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC000998305712 705709636 /nfs/dbraw/zinc/70/96/36/705709636.db2.gz RWIKCVUQKCYBQL-PWSUYJOCSA-N 2 2 336.333 1.599 20 0 EDADLP Cc1nc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CCC[C@H]2C)cs1 ZINC001032627435 705730399 /nfs/dbraw/zinc/73/03/99/705730399.db2.gz WASMLMMLHPOEQK-COXVUDFISA-N 2 2 348.516 1.763 20 0 EDADLP Cc1nc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@H]2C)cs1 ZINC001032627435 705730400 /nfs/dbraw/zinc/73/04/00/705730400.db2.gz WASMLMMLHPOEQK-COXVUDFISA-N 2 2 348.516 1.763 20 0 EDADLP Cc1nc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC[C@H]2C)cs1 ZINC001032627435 705730402 /nfs/dbraw/zinc/73/04/02/705730402.db2.gz WASMLMMLHPOEQK-COXVUDFISA-N 2 2 348.516 1.763 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(F)c2)C1 ZINC001032627942 705739260 /nfs/dbraw/zinc/73/92/60/705739260.db2.gz NBXILAUVKJPCJY-JLSDUUJJSA-N 2 2 331.435 1.953 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(F)c2)C1 ZINC001032627942 705739262 /nfs/dbraw/zinc/73/92/62/705739262.db2.gz NBXILAUVKJPCJY-JLSDUUJJSA-N 2 2 331.435 1.953 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(F)c2)C1 ZINC001032627942 705739266 /nfs/dbraw/zinc/73/92/66/705739266.db2.gz NBXILAUVKJPCJY-JLSDUUJJSA-N 2 2 331.435 1.953 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001032627793 705741535 /nfs/dbraw/zinc/74/15/35/705741535.db2.gz HZLOBSMPTXIVGA-WBAXXEDZSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001032627793 705741538 /nfs/dbraw/zinc/74/15/38/705741538.db2.gz HZLOBSMPTXIVGA-WBAXXEDZSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001032627793 705741540 /nfs/dbraw/zinc/74/15/40/705741540.db2.gz HZLOBSMPTXIVGA-WBAXXEDZSA-N 2 2 328.460 1.517 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001032627793 705741542 /nfs/dbraw/zinc/74/15/42/705741542.db2.gz HZLOBSMPTXIVGA-WBAXXEDZSA-N 2 2 328.460 1.517 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(COC)c1)[NH+](C)C ZINC001032633988 705866960 /nfs/dbraw/zinc/86/69/60/705866960.db2.gz BTUHEAINEQCAQG-FHWLQOOXSA-N 2 2 345.487 1.958 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000998930382 706358921 /nfs/dbraw/zinc/35/89/21/706358921.db2.gz SAAKNRNQDXSKLD-QDIHITRGSA-N 2 2 343.406 1.827 20 0 EDADLP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)o1 ZINC000999005598 706446141 /nfs/dbraw/zinc/44/61/41/706446141.db2.gz SWMABJFNDPNTSE-WLYUNCDWSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC000999035045 706449514 /nfs/dbraw/zinc/44/95/14/706449514.db2.gz KTNMPBMNSRFPCN-CYBMUJFWSA-N 2 2 333.461 1.888 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000999038209 706453973 /nfs/dbraw/zinc/45/39/73/706453973.db2.gz FQVIWIRJGMCUFG-CABCVRRESA-N 2 2 334.464 1.738 20 0 EDADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712329 706822243 /nfs/dbraw/zinc/82/22/43/706822243.db2.gz SZCGXNPDARKVLR-WBAXXEDZSA-N 2 2 340.427 1.806 20 0 EDADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001032712329 706822244 /nfs/dbraw/zinc/82/22/44/706822244.db2.gz SZCGXNPDARKVLR-WBAXXEDZSA-N 2 2 340.427 1.806 20 0 EDADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032712311 706826006 /nfs/dbraw/zinc/82/60/06/706826006.db2.gz RWYJKSIJVTZLPR-IRXDYDNUSA-N 2 2 326.400 1.153 20 0 EDADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032712311 706826007 /nfs/dbraw/zinc/82/60/07/706826007.db2.gz RWYJKSIJVTZLPR-IRXDYDNUSA-N 2 2 326.400 1.153 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999512386 707011116 /nfs/dbraw/zinc/01/11/16/707011116.db2.gz PJJKKOIVEKTJQC-LSDHHAIUSA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC000999512386 707011117 /nfs/dbraw/zinc/01/11/17/707011117.db2.gz PJJKKOIVEKTJQC-LSDHHAIUSA-N 2 2 347.463 1.512 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000999495939 707032556 /nfs/dbraw/zinc/03/25/56/707032556.db2.gz MQYVKTCUUPJTTB-IRXDYDNUSA-N 2 2 347.459 1.782 20 0 EDADLP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000999605403 707069988 /nfs/dbraw/zinc/06/99/88/707069988.db2.gz KVCGDWDRVWILNV-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)o1 ZINC000999606530 707119924 /nfs/dbraw/zinc/11/99/24/707119924.db2.gz VVPWYRDNEWDXPL-UHFFFAOYSA-N 2 2 331.420 1.590 20 0 EDADLP Cc1cnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999713596 707251389 /nfs/dbraw/zinc/25/13/89/707251389.db2.gz LIOUZUYTDGLGLZ-GJZGRUSLSA-N 2 2 331.420 1.830 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)n1 ZINC000999708724 707301017 /nfs/dbraw/zinc/30/10/17/707301017.db2.gz SABXUSKENLLZTC-CQSZACIVSA-N 2 2 340.387 1.420 20 0 EDADLP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)c1 ZINC000999773122 707331703 /nfs/dbraw/zinc/33/17/03/707331703.db2.gz BTTKUJHZWQWCJV-KRWDZBQOSA-N 2 2 341.459 1.837 20 0 EDADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033191185 707394410 /nfs/dbraw/zinc/39/44/10/707394410.db2.gz FUSYGJRSDCYOFZ-GXTWGEPZSA-N 2 2 343.431 1.186 20 0 EDADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001033191185 707394418 /nfs/dbraw/zinc/39/44/18/707394418.db2.gz FUSYGJRSDCYOFZ-GXTWGEPZSA-N 2 2 343.431 1.186 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000999839114 707411052 /nfs/dbraw/zinc/41/10/52/707411052.db2.gz YOZAXMOSHPLIDS-JSGCOSHPSA-N 2 2 348.476 1.775 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2noc(C3CCC3)n2)C1 ZINC000999833027 707464288 /nfs/dbraw/zinc/46/42/88/707464288.db2.gz KSGRQTMYNUHCJB-UHFFFAOYSA-N 2 2 347.463 1.512 20 0 EDADLP C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001004866342 707505374 /nfs/dbraw/zinc/50/53/74/707505374.db2.gz GXUURMKXNQWONI-CZUORRHYSA-N 2 2 345.451 1.030 20 0 EDADLP CC(C)(C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1)[NH+]1CCCC1 ZINC000999871777 707515007 /nfs/dbraw/zinc/51/50/07/707515007.db2.gz MFYBHAFXAXVJKP-ZDUSSCGKSA-N 2 2 337.493 1.493 20 0 EDADLP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999914285 707556704 /nfs/dbraw/zinc/55/67/04/707556704.db2.gz AJCYMHPPDNVETF-UHFFFAOYSA-N 2 2 331.420 1.521 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001004891868 707572434 /nfs/dbraw/zinc/57/24/34/707572434.db2.gz BHDFZFCPDCJKOH-NVXWUHKLSA-N 2 2 344.463 1.484 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206659 707636712 /nfs/dbraw/zinc/63/67/12/707636712.db2.gz HXYXNGVYEXIXLS-LSDHHAIUSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206659 707636715 /nfs/dbraw/zinc/63/67/15/707636715.db2.gz HXYXNGVYEXIXLS-LSDHHAIUSA-N 2 2 343.431 1.475 20 0 EDADLP Cc1cc(NC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)nc(C)[nH+]1 ZINC001060895789 707669020 /nfs/dbraw/zinc/66/90/20/707669020.db2.gz LOVNZXTVPOJKQV-MRXNPFEDSA-N 2 2 347.463 1.076 20 0 EDADLP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC001004943493 707690237 /nfs/dbraw/zinc/69/02/37/707690237.db2.gz DOPWRXSVBDALBF-WMLDXEAASA-N 2 2 342.447 1.610 20 0 EDADLP Cc1noc([C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033393577 707728812 /nfs/dbraw/zinc/72/88/12/707728812.db2.gz FTNLLQQYFPJGDI-IUODEOHRSA-N 2 2 335.452 1.314 20 0 EDADLP Cc1noc([C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033393577 707728817 /nfs/dbraw/zinc/72/88/17/707728817.db2.gz FTNLLQQYFPJGDI-IUODEOHRSA-N 2 2 335.452 1.314 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004963934 707790949 /nfs/dbraw/zinc/79/09/49/707790949.db2.gz GTKLFXDSVCGGDV-HOCLYGCPSA-N 2 2 344.463 1.554 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)nn1 ZINC001033416163 707794705 /nfs/dbraw/zinc/79/47/05/707794705.db2.gz OIOVPTCOVAORIV-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)nn1 ZINC001033416163 707794711 /nfs/dbraw/zinc/79/47/11/707794711.db2.gz OIOVPTCOVAORIV-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001033416163 707794715 /nfs/dbraw/zinc/79/47/15/707794715.db2.gz OIOVPTCOVAORIV-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001033416163 707794719 /nfs/dbraw/zinc/79/47/19/707794719.db2.gz OIOVPTCOVAORIV-GDBMZVCRSA-N 2 2 347.463 1.002 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418886 707804658 /nfs/dbraw/zinc/80/46/58/707804658.db2.gz FQQGNLPDPZTWQC-HOCLYGCPSA-N 2 2 346.475 1.927 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418886 707804659 /nfs/dbraw/zinc/80/46/59/707804659.db2.gz FQQGNLPDPZTWQC-HOCLYGCPSA-N 2 2 346.475 1.927 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418886 707804660 /nfs/dbraw/zinc/80/46/60/707804660.db2.gz FQQGNLPDPZTWQC-HOCLYGCPSA-N 2 2 346.475 1.927 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)C2)C1 ZINC001033418886 707804661 /nfs/dbraw/zinc/80/46/61/707804661.db2.gz FQQGNLPDPZTWQC-HOCLYGCPSA-N 2 2 346.475 1.927 20 0 EDADLP C[C@H]([NH2+]Cc1nccs1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004980294 707822188 /nfs/dbraw/zinc/82/21/88/707822188.db2.gz YZFAWGPKHXSRJB-ZFWWWQNUSA-N 2 2 347.488 1.979 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001061603811 707839579 /nfs/dbraw/zinc/83/95/79/707839579.db2.gz GWSTUEVZBMENBX-HZPDHXFCSA-N 2 2 345.491 1.803 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C(C)C)[nH+]1 ZINC001061603811 707839584 /nfs/dbraw/zinc/83/95/84/707839584.db2.gz GWSTUEVZBMENBX-HZPDHXFCSA-N 2 2 345.491 1.803 20 0 EDADLP CCn1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC001005007461 707917554 /nfs/dbraw/zinc/91/75/54/707917554.db2.gz DNPKUJIURPVMEF-WBVHZDCISA-N 2 2 344.463 1.659 20 0 EDADLP Cc1nnc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)s1 ZINC001005010306 707927768 /nfs/dbraw/zinc/92/77/68/707927768.db2.gz PKQXDSKARGPJCA-TZMCWYRMSA-N 2 2 348.476 1.602 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032783195 707973520 /nfs/dbraw/zinc/97/35/20/707973520.db2.gz VKDHYKXWAGRHBX-GJZGRUSLSA-N 2 2 345.472 1.750 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032783195 707973521 /nfs/dbraw/zinc/97/35/21/707973521.db2.gz VKDHYKXWAGRHBX-GJZGRUSLSA-N 2 2 345.472 1.750 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032782776 707975963 /nfs/dbraw/zinc/97/59/63/707975963.db2.gz LYZTXYUMYDBHIZ-KBPBESRZSA-N 2 2 331.445 1.442 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032782776 707975967 /nfs/dbraw/zinc/97/59/67/707975967.db2.gz LYZTXYUMYDBHIZ-KBPBESRZSA-N 2 2 331.445 1.442 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2ccn(C)n2)CC1 ZINC001000677542 708060982 /nfs/dbraw/zinc/06/09/82/708060982.db2.gz IELNYTGAHKNVSI-SFHVURJKSA-N 2 2 345.491 1.541 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2ccn(C)n2)CC1 ZINC001000677542 708060984 /nfs/dbraw/zinc/06/09/84/708060984.db2.gz IELNYTGAHKNVSI-SFHVURJKSA-N 2 2 345.491 1.541 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ccn(C)n2)CC1 ZINC001000677542 708060986 /nfs/dbraw/zinc/06/09/86/708060986.db2.gz IELNYTGAHKNVSI-SFHVURJKSA-N 2 2 345.491 1.541 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ccn(C)n2)CC1 ZINC001000677542 708060988 /nfs/dbraw/zinc/06/09/88/708060988.db2.gz IELNYTGAHKNVSI-SFHVURJKSA-N 2 2 345.491 1.541 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([NH2+]Cc2nccnc2C)C1 ZINC001000792727 708066288 /nfs/dbraw/zinc/06/62/88/708066288.db2.gz CERYELVJHUUUBE-CQSZACIVSA-N 2 2 328.420 1.140 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005182075 708128115 /nfs/dbraw/zinc/12/81/15/708128115.db2.gz CJSOJZOPJWYXLN-DZGCQCFKSA-N 2 2 349.479 1.710 20 0 EDADLP CCc1noc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001005182075 708128118 /nfs/dbraw/zinc/12/81/18/708128118.db2.gz CJSOJZOPJWYXLN-DZGCQCFKSA-N 2 2 349.479 1.710 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCC(F)(F)C1 ZINC001032814982 708151935 /nfs/dbraw/zinc/15/19/35/708151935.db2.gz SYANDWIYXKHVJK-KKUMJFAQSA-N 2 2 338.402 1.994 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCC(F)(F)C1 ZINC001032814982 708151936 /nfs/dbraw/zinc/15/19/36/708151936.db2.gz SYANDWIYXKHVJK-KKUMJFAQSA-N 2 2 338.402 1.994 20 0 EDADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033554660 708220505 /nfs/dbraw/zinc/22/05/05/708220505.db2.gz NSMJLBQAJNQBBI-OAHLLOKOSA-N 2 2 329.404 1.060 20 0 EDADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033554660 708220508 /nfs/dbraw/zinc/22/05/08/708220508.db2.gz NSMJLBQAJNQBBI-OAHLLOKOSA-N 2 2 329.404 1.060 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033592414 708291165 /nfs/dbraw/zinc/29/11/65/708291165.db2.gz GRCQQYIZKJKNBP-INIZCTEOSA-N 2 2 332.423 1.349 20 0 EDADLP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033592414 708291166 /nfs/dbraw/zinc/29/11/66/708291166.db2.gz GRCQQYIZKJKNBP-INIZCTEOSA-N 2 2 332.423 1.349 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001033704240 708533251 /nfs/dbraw/zinc/53/32/51/708533251.db2.gz PYQBUCPTGVCLSN-IAGOWNOFSA-N 2 2 346.406 1.289 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001033704240 708533253 /nfs/dbraw/zinc/53/32/53/708533253.db2.gz PYQBUCPTGVCLSN-IAGOWNOFSA-N 2 2 346.406 1.289 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC001005416797 708947742 /nfs/dbraw/zinc/94/77/42/708947742.db2.gz ZVTWFRPRCJUTOA-ZWKOTPCHSA-N 2 2 347.507 1.573 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3ccn(C)n3)CC2)CC[N@H+]1C ZINC001005416797 708947745 /nfs/dbraw/zinc/94/77/45/708947745.db2.gz ZVTWFRPRCJUTOA-ZWKOTPCHSA-N 2 2 347.507 1.573 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3nnc(C)o3)CC2)CC[N@@H+]1C ZINC001005416644 708948035 /nfs/dbraw/zinc/94/80/35/708948035.db2.gz WNVDNEFVIJALQE-JKSUJKDBSA-N 2 2 349.479 1.531 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3nnc(C)o3)CC2)CC[N@H+]1C ZINC001005416644 708948038 /nfs/dbraw/zinc/94/80/38/708948038.db2.gz WNVDNEFVIJALQE-JKSUJKDBSA-N 2 2 349.479 1.531 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001033878568 708948816 /nfs/dbraw/zinc/94/88/16/708948816.db2.gz LTOYBWUFJQJACY-KBPBESRZSA-N 2 2 338.452 1.308 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001033878568 708948817 /nfs/dbraw/zinc/94/88/17/708948817.db2.gz LTOYBWUFJQJACY-KBPBESRZSA-N 2 2 338.452 1.308 20 0 EDADLP CCc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061705625 708972064 /nfs/dbraw/zinc/97/20/64/708972064.db2.gz HQVXIQKFIKUWGH-WBVHZDCISA-N 2 2 345.491 1.774 20 0 EDADLP CCc1cc(N2CC[C@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061705625 708972066 /nfs/dbraw/zinc/97/20/66/708972066.db2.gz HQVXIQKFIKUWGH-WBVHZDCISA-N 2 2 345.491 1.774 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001034132688 709402953 /nfs/dbraw/zinc/40/29/53/709402953.db2.gz UIGAKTXJVYJUMU-DOTOQJQBSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c(C)o1 ZINC001034132688 709402954 /nfs/dbraw/zinc/40/29/54/709402954.db2.gz UIGAKTXJVYJUMU-DOTOQJQBSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001034132688 709402956 /nfs/dbraw/zinc/40/29/56/709402956.db2.gz UIGAKTXJVYJUMU-DOTOQJQBSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001034132688 709402958 /nfs/dbraw/zinc/40/29/58/709402958.db2.gz UIGAKTXJVYJUMU-DOTOQJQBSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148221 709419530 /nfs/dbraw/zinc/41/95/30/709419530.db2.gz GSZYEYVHDZLOTB-ZWKOTPCHSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148221 709419531 /nfs/dbraw/zinc/41/95/31/709419531.db2.gz GSZYEYVHDZLOTB-ZWKOTPCHSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148221 709419532 /nfs/dbraw/zinc/41/95/32/709419532.db2.gz GSZYEYVHDZLOTB-ZWKOTPCHSA-N 2 2 346.475 1.191 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148221 709419533 /nfs/dbraw/zinc/41/95/33/709419533.db2.gz GSZYEYVHDZLOTB-ZWKOTPCHSA-N 2 2 346.475 1.191 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001002843902 709455680 /nfs/dbraw/zinc/45/56/80/709455680.db2.gz AWMVOYFHZLYJAJ-BFYDXBDKSA-N 2 2 346.475 1.115 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001034213589 709565023 /nfs/dbraw/zinc/56/50/23/709565023.db2.gz ZTCYFBZTQJZZCH-WMZOPIPTSA-N 2 2 346.475 1.796 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001034213589 709565026 /nfs/dbraw/zinc/56/50/26/709565026.db2.gz ZTCYFBZTQJZZCH-WMZOPIPTSA-N 2 2 346.475 1.796 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001034216115 709570798 /nfs/dbraw/zinc/57/07/98/709570798.db2.gz DNODQZGKMHOPPL-RYQLBKOJSA-N 2 2 347.507 1.621 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccn(C)n3)C2)CC[N@H+]1C ZINC001034216115 709570801 /nfs/dbraw/zinc/57/08/01/709570801.db2.gz DNODQZGKMHOPPL-RYQLBKOJSA-N 2 2 347.507 1.621 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001034216115 709570805 /nfs/dbraw/zinc/57/08/05/709570805.db2.gz DNODQZGKMHOPPL-RYQLBKOJSA-N 2 2 347.507 1.621 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001034216115 709570809 /nfs/dbraw/zinc/57/08/09/709570809.db2.gz DNODQZGKMHOPPL-RYQLBKOJSA-N 2 2 347.507 1.621 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC001034270866 709676680 /nfs/dbraw/zinc/67/66/80/709676680.db2.gz JGAARMGPPVQOGL-RDJZCZTQSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC001034270866 709676683 /nfs/dbraw/zinc/67/66/83/709676683.db2.gz JGAARMGPPVQOGL-RDJZCZTQSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)o1 ZINC001034270866 709676685 /nfs/dbraw/zinc/67/66/85/709676685.db2.gz JGAARMGPPVQOGL-RDJZCZTQSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)o1 ZINC001034270866 709676687 /nfs/dbraw/zinc/67/66/87/709676687.db2.gz JGAARMGPPVQOGL-RDJZCZTQSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)C2 ZINC001034278905 709694338 /nfs/dbraw/zinc/69/43/38/709694338.db2.gz MZWYKWLFCRUNEM-HUUCEWRRSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)C2 ZINC001034278905 709694342 /nfs/dbraw/zinc/69/43/42/709694342.db2.gz MZWYKWLFCRUNEM-HUUCEWRRSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)CC2 ZINC001034278905 709694344 /nfs/dbraw/zinc/69/43/44/709694344.db2.gz MZWYKWLFCRUNEM-HUUCEWRRSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)CC2 ZINC001034278905 709694347 /nfs/dbraw/zinc/69/43/47/709694347.db2.gz MZWYKWLFCRUNEM-HUUCEWRRSA-N 2 2 334.464 1.176 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001034308892 709750584 /nfs/dbraw/zinc/75/05/84/709750584.db2.gz HNWUTIJDQOSRFG-HZPDHXFCSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001034308892 709750585 /nfs/dbraw/zinc/75/05/85/709750585.db2.gz HNWUTIJDQOSRFG-HZPDHXFCSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cccnc2)C1 ZINC001034311776 709757100 /nfs/dbraw/zinc/75/71/00/709757100.db2.gz KBESOAXKCRFMPF-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cccnc2)C1 ZINC001034311776 709757103 /nfs/dbraw/zinc/75/71/03/709757103.db2.gz KBESOAXKCRFMPF-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@@H+]1C ZINC001034364910 709886064 /nfs/dbraw/zinc/88/60/64/709886064.db2.gz XFLZZKRFCLNHRV-YESZJQIVSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ncccn3)C2)CC[N@H+]1C ZINC001034364910 709886068 /nfs/dbraw/zinc/88/60/68/709886068.db2.gz XFLZZKRFCLNHRV-YESZJQIVSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034364910 709886070 /nfs/dbraw/zinc/88/60/70/709886070.db2.gz XFLZZKRFCLNHRV-YESZJQIVSA-N 2 2 345.491 1.678 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncccn3)C2)CC[NH+]1C ZINC001034364910 709886073 /nfs/dbraw/zinc/88/60/73/709886073.db2.gz XFLZZKRFCLNHRV-YESZJQIVSA-N 2 2 345.491 1.678 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC001034384050 709901210 /nfs/dbraw/zinc/90/12/10/709901210.db2.gz CGNXQGGPDNDKGU-INIZCTEOSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC001034384050 709901213 /nfs/dbraw/zinc/90/12/13/709901213.db2.gz CGNXQGGPDNDKGU-INIZCTEOSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)co1 ZINC001034384705 709911748 /nfs/dbraw/zinc/91/17/48/709911748.db2.gz GODHMNHXMISNTH-INIZCTEOSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)co1 ZINC001034384705 709911751 /nfs/dbraw/zinc/91/17/51/709911751.db2.gz GODHMNHXMISNTH-INIZCTEOSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001003142245 710036797 /nfs/dbraw/zinc/03/67/97/710036797.db2.gz BTQWVSMFIFQPFH-WBVHZDCISA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003142245 710036799 /nfs/dbraw/zinc/03/67/99/710036799.db2.gz BTQWVSMFIFQPFH-WBVHZDCISA-N 2 2 347.463 1.476 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001003147004 710045480 /nfs/dbraw/zinc/04/54/80/710045480.db2.gz SXIYPIYYISNUCT-DLBZAZTESA-N 2 2 332.448 1.772 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001003147004 710045485 /nfs/dbraw/zinc/04/54/85/710045485.db2.gz SXIYPIYYISNUCT-DLBZAZTESA-N 2 2 332.448 1.772 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001003205916 710115907 /nfs/dbraw/zinc/11/59/07/710115907.db2.gz FJKSADKBKNUAOJ-JSGCOSHPSA-N 2 2 334.464 1.439 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC001003205916 710115910 /nfs/dbraw/zinc/11/59/10/710115910.db2.gz FJKSADKBKNUAOJ-JSGCOSHPSA-N 2 2 334.464 1.439 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cccnc2)C1 ZINC001034503034 710144399 /nfs/dbraw/zinc/14/43/99/710144399.db2.gz LTJWBMGXVFTRFE-MRXNPFEDSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cccnc2)C1 ZINC001034503034 710144403 /nfs/dbraw/zinc/14/44/03/710144403.db2.gz LTJWBMGXVFTRFE-MRXNPFEDSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001003318578 710247185 /nfs/dbraw/zinc/24/71/85/710247185.db2.gz LUNAJIIUDRLKRB-LBPRGKRZSA-N 2 2 332.408 1.225 20 0 EDADLP O=C(NC1CC[NH+](CCC2CC2)CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001003378094 710297052 /nfs/dbraw/zinc/29/70/52/710297052.db2.gz IKCMEHJTDVQQQK-LJQANCHMSA-N 2 2 349.519 1.868 20 0 EDADLP O=C(NC1CC[NH+](CCC2CC2)CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001003378094 710297055 /nfs/dbraw/zinc/29/70/55/710297055.db2.gz IKCMEHJTDVQQQK-LJQANCHMSA-N 2 2 349.519 1.868 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001003546880 710413623 /nfs/dbraw/zinc/41/36/23/710413623.db2.gz DTSWQCKMOOYCKC-ZDUSSCGKSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc[nH+]1 ZINC001061279198 710419318 /nfs/dbraw/zinc/41/93/18/710419318.db2.gz DXIKYUABMKOESJ-FVQBIDKESA-N 2 2 331.464 1.552 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc[nH+]1 ZINC001061279198 710419319 /nfs/dbraw/zinc/41/93/19/710419319.db2.gz DXIKYUABMKOESJ-FVQBIDKESA-N 2 2 331.464 1.552 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001003624862 710454252 /nfs/dbraw/zinc/45/42/52/710454252.db2.gz VOWLBTAAJMTGCX-OAHLLOKOSA-N 2 2 333.480 1.468 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003624862 710454253 /nfs/dbraw/zinc/45/42/53/710454253.db2.gz VOWLBTAAJMTGCX-OAHLLOKOSA-N 2 2 333.480 1.468 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001003625662 710454884 /nfs/dbraw/zinc/45/48/84/710454884.db2.gz ISZOEFYGTWVPBH-DZGCQCFKSA-N 2 2 334.464 1.966 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001003625662 710454885 /nfs/dbraw/zinc/45/48/85/710454885.db2.gz ISZOEFYGTWVPBH-DZGCQCFKSA-N 2 2 334.464 1.966 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC001003628473 710458329 /nfs/dbraw/zinc/45/83/29/710458329.db2.gz QFTIEUAWEWJPCX-QWHCGFSZSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC001003628473 710458330 /nfs/dbraw/zinc/45/83/30/710458330.db2.gz QFTIEUAWEWJPCX-QWHCGFSZSA-N 2 2 335.452 1.504 20 0 EDADLP O=C(NC1CC[NH+](CCCF)CC1)C1([NH+]2CCOCC2)CCCC1 ZINC001003724529 710510035 /nfs/dbraw/zinc/51/00/35/710510035.db2.gz VDUQKHBLOOQSJL-UHFFFAOYSA-N 2 2 341.471 1.572 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000922257018 710535796 /nfs/dbraw/zinc/53/57/96/710535796.db2.gz QKXMAQHIFHZSKK-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000922257018 710535798 /nfs/dbraw/zinc/53/57/98/710535798.db2.gz QKXMAQHIFHZSKK-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)n1 ZINC001003775914 710544777 /nfs/dbraw/zinc/54/47/77/710544777.db2.gz CKSFWAXMHPOXOS-ZWKOTPCHSA-N 2 2 345.491 1.518 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)n1 ZINC001003775914 710544778 /nfs/dbraw/zinc/54/47/78/710544778.db2.gz CKSFWAXMHPOXOS-ZWKOTPCHSA-N 2 2 345.491 1.518 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034674957 710626614 /nfs/dbraw/zinc/62/66/14/710626614.db2.gz MDMFHTVHTBFQQP-XIRDDKMYSA-N 2 2 347.459 1.686 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001005592966 710640615 /nfs/dbraw/zinc/64/06/15/710640615.db2.gz OJPCXKSGIIXSNO-MRXNPFEDSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC001005592966 710640618 /nfs/dbraw/zinc/64/06/18/710640618.db2.gz OJPCXKSGIIXSNO-MRXNPFEDSA-N 2 2 334.464 1.890 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005607140 710690564 /nfs/dbraw/zinc/69/05/64/710690564.db2.gz QRWJVJDQCINLGQ-HUUCEWRRSA-N 2 2 334.464 1.403 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005616005 710723845 /nfs/dbraw/zinc/72/38/45/710723845.db2.gz GDDOXRYJWWGJHX-GJZGRUSLSA-N 2 2 334.464 1.403 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034751342 710979518 /nfs/dbraw/zinc/97/95/18/710979518.db2.gz SRLZOPIDQQARME-HDJSIYSDSA-N 2 2 346.435 1.607 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2cnc(C)cn2)CC1 ZINC001034785992 711089092 /nfs/dbraw/zinc/08/90/92/711089092.db2.gz GODZFYVBJOISFU-SHTZXODSSA-N 2 2 342.447 1.576 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)no1 ZINC001034794645 711111355 /nfs/dbraw/zinc/11/13/55/711111355.db2.gz MPKOJQZETGOCSJ-BPLDGKMQSA-N 2 2 335.452 1.552 20 0 EDADLP CCOC1CC(C[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001003970520 711119896 /nfs/dbraw/zinc/11/98/96/711119896.db2.gz IXZUMTNPGXYEAM-UHFFFAOYSA-N 2 2 334.464 1.358 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001034885514 711289755 /nfs/dbraw/zinc/28/97/55/711289755.db2.gz VLOQEJDQPSRUCB-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CCC2)no1 ZINC001034885514 711289759 /nfs/dbraw/zinc/28/97/59/711289759.db2.gz VLOQEJDQPSRUCB-CABCVRRESA-N 2 2 347.463 1.512 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)c(C)c(C)[nH+]1 ZINC001061379718 711324045 /nfs/dbraw/zinc/32/40/45/711324045.db2.gz PJOYTOYPTIKBMZ-MRXNPFEDSA-N 2 2 343.475 1.583 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)o1)C1CC1 ZINC001034959116 711433401 /nfs/dbraw/zinc/43/34/01/711433401.db2.gz RVEPZGSAUQEPQB-GDBMZVCRSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC001004151696 711569314 /nfs/dbraw/zinc/56/93/14/711569314.db2.gz LPQKPAZAPAQLDN-UHFFFAOYSA-N 2 2 328.420 1.071 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033126706 711890747 /nfs/dbraw/zinc/89/07/47/711890747.db2.gz OYRCAFSVLBTIEG-QZTJIDSGSA-N 2 2 347.507 1.636 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033126706 711890750 /nfs/dbraw/zinc/89/07/50/711890750.db2.gz OYRCAFSVLBTIEG-QZTJIDSGSA-N 2 2 347.507 1.636 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033126706 711890753 /nfs/dbraw/zinc/89/07/53/711890753.db2.gz OYRCAFSVLBTIEG-QZTJIDSGSA-N 2 2 347.507 1.636 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033126706 711890755 /nfs/dbraw/zinc/89/07/55/711890755.db2.gz OYRCAFSVLBTIEG-QZTJIDSGSA-N 2 2 347.507 1.636 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000118808972 282120945 /nfs/dbraw/zinc/12/09/45/282120945.db2.gz RCERIDJJGXWMEG-INIZCTEOSA-N 2 2 346.475 1.934 20 0 EDADLP C[NH+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261729559 290028112 /nfs/dbraw/zinc/02/81/12/290028112.db2.gz HOIQIHWNHHERKT-CQSZACIVSA-N 2 2 326.238 1.397 20 0 EDADLP C[N@H+](CC(=O)N1CCCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116462 282342824 /nfs/dbraw/zinc/34/28/24/282342824.db2.gz CUVAWMFXVMFDST-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP C[N@@H+](CC(=O)N1CCCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116462 282342825 /nfs/dbraw/zinc/34/28/25/282342825.db2.gz CUVAWMFXVMFDST-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP CN(CC(=O)N1CCCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367116462 282342826 /nfs/dbraw/zinc/34/28/26/282342826.db2.gz CUVAWMFXVMFDST-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP CN(CC(=O)N1CCCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367116462 282342827 /nfs/dbraw/zinc/34/28/27/282342827.db2.gz CUVAWMFXVMFDST-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP OC[C@H]1CCCN1c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc[nH+]1 ZINC000329264902 539424202 /nfs/dbraw/zinc/42/42/02/539424202.db2.gz FPWKOWWAESVENZ-HZPDHXFCSA-N 2 2 331.464 1.502 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@H]1Oc2ccccc2[C@H]1C ZINC000561194552 306284235 /nfs/dbraw/zinc/28/42/35/306284235.db2.gz PIXUBDKOVHOXEZ-FHIRATQRSA-N 2 2 332.448 1.224 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@H]1Oc2ccccc2[C@H]1C ZINC000561194552 306284236 /nfs/dbraw/zinc/28/42/36/306284236.db2.gz PIXUBDKOVHOXEZ-FHIRATQRSA-N 2 2 332.448 1.224 20 0 EDADLP FC(F)(F)Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000337408146 539689983 /nfs/dbraw/zinc/68/99/83/539689983.db2.gz OUFHSAPJUUOUBW-AWEZNQCLSA-N 2 2 346.397 1.990 20 0 EDADLP FC(F)(F)Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000337408146 539689986 /nfs/dbraw/zinc/68/99/86/539689986.db2.gz OUFHSAPJUUOUBW-AWEZNQCLSA-N 2 2 346.397 1.990 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000151007867 539730190 /nfs/dbraw/zinc/73/01/90/539730190.db2.gz GJDMDFPSKWPXLN-SZMVWBNQSA-N 2 2 348.491 1.616 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000151007867 539730193 /nfs/dbraw/zinc/73/01/93/539730193.db2.gz GJDMDFPSKWPXLN-SZMVWBNQSA-N 2 2 348.491 1.616 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152387253 539808617 /nfs/dbraw/zinc/80/86/17/539808617.db2.gz JUNOSWKASVEFEU-HOTGVXAUSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152387253 539808621 /nfs/dbraw/zinc/80/86/21/539808621.db2.gz JUNOSWKASVEFEU-HOTGVXAUSA-N 2 2 340.512 1.469 20 0 EDADLP c1cn2c([nH+]1)C[C@H](c1nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no1)CC2 ZINC000350181474 539872671 /nfs/dbraw/zinc/87/26/71/539872671.db2.gz JCMAXDPTPPSAQB-RDBSUJKOSA-N 2 2 329.404 1.922 20 0 EDADLP c1cn2c([nH+]1)C[C@H](c1nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)CC2 ZINC000350181474 539872672 /nfs/dbraw/zinc/87/26/72/539872672.db2.gz JCMAXDPTPPSAQB-RDBSUJKOSA-N 2 2 329.404 1.922 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562650583 306304776 /nfs/dbraw/zinc/30/47/76/306304776.db2.gz RBBYPQZLTMTBPB-OWCLPIDISA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562650583 306304777 /nfs/dbraw/zinc/30/47/77/306304777.db2.gz RBBYPQZLTMTBPB-OWCLPIDISA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562650583 306304778 /nfs/dbraw/zinc/30/47/78/306304778.db2.gz RBBYPQZLTMTBPB-OWCLPIDISA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562650583 306304779 /nfs/dbraw/zinc/30/47/79/306304779.db2.gz RBBYPQZLTMTBPB-OWCLPIDISA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000562659281 306305147 /nfs/dbraw/zinc/30/51/47/306305147.db2.gz MFPBONJZUPTVLM-IAGOWNOFSA-N 2 2 340.512 1.469 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000562659281 306305148 /nfs/dbraw/zinc/30/51/48/306305148.db2.gz MFPBONJZUPTVLM-IAGOWNOFSA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000562757789 306308021 /nfs/dbraw/zinc/30/80/21/306308021.db2.gz NHHMWRLRMJZWMC-UHFFFAOYSA-N 2 2 342.399 1.928 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000562809085 306310001 /nfs/dbraw/zinc/31/00/01/306310001.db2.gz XFIBUTZXGJGVJO-HRCADAONSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000562809085 306310002 /nfs/dbraw/zinc/31/00/02/306310002.db2.gz XFIBUTZXGJGVJO-HRCADAONSA-N 2 2 338.402 1.747 20 0 EDADLP Cc1cc(CC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1O ZINC000563003132 306315689 /nfs/dbraw/zinc/31/56/89/306315689.db2.gz OBATWZXMOHFIBN-SOLBZPMBSA-N 2 2 336.476 1.611 20 0 EDADLP Cc1cc(CC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1O ZINC000563003132 306315690 /nfs/dbraw/zinc/31/56/90/306315690.db2.gz OBATWZXMOHFIBN-SOLBZPMBSA-N 2 2 336.476 1.611 20 0 EDADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000563037089 306316477 /nfs/dbraw/zinc/31/64/77/306316477.db2.gz UWXIBMBZYSPVDS-ZBFHGGJFSA-N 2 2 345.443 1.100 20 0 EDADLP C[C@@H](CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000563253569 306324717 /nfs/dbraw/zinc/32/47/17/306324717.db2.gz WMHOJSKDUHYPFL-YJBOKZPZSA-N 2 2 342.443 1.717 20 0 EDADLP C[C@@H](CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000563253569 306324718 /nfs/dbraw/zinc/32/47/18/306324718.db2.gz WMHOJSKDUHYPFL-YJBOKZPZSA-N 2 2 342.443 1.717 20 0 EDADLP [NH3+]CCc1ccccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000563339161 306328203 /nfs/dbraw/zinc/32/82/03/306328203.db2.gz OHNYJKUSVQLIMI-UHFFFAOYSA-N 2 2 340.427 1.349 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000038263640 213206750 /nfs/dbraw/zinc/20/67/50/213206750.db2.gz ZCMBBVKXKIOTDS-MRXNPFEDSA-N 2 2 346.475 1.067 20 0 EDADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCC[C@H](C)C1 ZINC000343619835 291078783 /nfs/dbraw/zinc/07/87/83/291078783.db2.gz KOAVNDJBIFIGTD-IRXDYDNUSA-N 2 2 325.497 1.535 20 0 EDADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCC[C@H](C)C1 ZINC000343619835 291078784 /nfs/dbraw/zinc/07/87/84/291078784.db2.gz KOAVNDJBIFIGTD-IRXDYDNUSA-N 2 2 325.497 1.535 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000563442550 306333369 /nfs/dbraw/zinc/33/33/69/306333369.db2.gz RGRCCJFEKVPDEQ-LSDHHAIUSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000563442550 306333370 /nfs/dbraw/zinc/33/33/70/306333370.db2.gz RGRCCJFEKVPDEQ-LSDHHAIUSA-N 2 2 330.363 1.225 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000067459238 138188076 /nfs/dbraw/zinc/18/80/76/138188076.db2.gz DJNWLSDUOQORKV-GOSISDBHSA-N 2 2 349.475 1.861 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000067459238 138188081 /nfs/dbraw/zinc/18/80/81/138188081.db2.gz DJNWLSDUOQORKV-GOSISDBHSA-N 2 2 349.475 1.861 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417023570 295929129 /nfs/dbraw/zinc/92/91/29/295929129.db2.gz JZKXHCWKCSDVQM-HNNXBMFYSA-N 2 2 326.485 1.319 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000076305818 138247916 /nfs/dbraw/zinc/24/79/16/138247916.db2.gz QVBFNUVQTNSHBK-SFHVURJKSA-N 2 2 348.491 1.671 20 0 EDADLP CCO[C@H](C)c1noc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000076726395 138249787 /nfs/dbraw/zinc/24/97/87/138249787.db2.gz MLKKIUYOUCYSKH-CQSZACIVSA-N 2 2 338.452 1.711 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000092043333 138286265 /nfs/dbraw/zinc/28/62/65/138286265.db2.gz BSCLCTNHYSSTRE-SJLPKXTDSA-N 2 2 348.491 1.979 20 0 EDADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000092043333 138286266 /nfs/dbraw/zinc/28/62/66/138286266.db2.gz BSCLCTNHYSSTRE-SJLPKXTDSA-N 2 2 348.491 1.979 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000092043333 138286267 /nfs/dbraw/zinc/28/62/67/138286267.db2.gz BSCLCTNHYSSTRE-SJLPKXTDSA-N 2 2 348.491 1.979 20 0 EDADLP COC(=O)CCn1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000092043333 138286268 /nfs/dbraw/zinc/28/62/68/138286268.db2.gz BSCLCTNHYSSTRE-SJLPKXTDSA-N 2 2 348.491 1.979 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1OC ZINC000093046902 138291362 /nfs/dbraw/zinc/29/13/62/138291362.db2.gz WKEPFJIJYHUDKL-UHFFFAOYSA-N 2 2 347.459 1.444 20 0 EDADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000108867756 138305413 /nfs/dbraw/zinc/30/54/13/138305413.db2.gz RTIVNTFIPYXLRN-UHFFFAOYSA-N 2 2 326.404 1.211 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(CC(=O)NCc3ccco3)CC2)CC1 ZINC000112358352 138309172 /nfs/dbraw/zinc/30/91/72/138309172.db2.gz NOMNICLQNVCDCX-UHFFFAOYSA-N 2 2 348.491 1.388 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131793611 138366203 /nfs/dbraw/zinc/36/62/03/138366203.db2.gz YBPXKCOPQXITFM-QGZVFWFLSA-N 2 2 341.411 1.860 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131793611 138366204 /nfs/dbraw/zinc/36/62/04/138366204.db2.gz YBPXKCOPQXITFM-QGZVFWFLSA-N 2 2 341.411 1.860 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563625832 306342721 /nfs/dbraw/zinc/34/27/21/306342721.db2.gz TZKYBFIVAGCLTP-LJQANCHMSA-N 2 2 344.459 1.402 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000563625832 306342722 /nfs/dbraw/zinc/34/27/22/306342722.db2.gz TZKYBFIVAGCLTP-LJQANCHMSA-N 2 2 344.459 1.402 20 0 EDADLP Cc1ccc([C@H](CNC(=O)c2c[nH+]ccc2N)[NH+]2CCOCC2)cc1 ZINC000188110956 236434326 /nfs/dbraw/zinc/43/43/26/236434326.db2.gz CPHQYBHOPRKRFA-SFHVURJKSA-N 2 2 340.427 1.776 20 0 EDADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)c(F)c1 ZINC000413906795 304087551 /nfs/dbraw/zinc/08/75/51/304087551.db2.gz ZCYAMIBRBIHNTM-OAHLLOKOSA-N 2 2 325.384 1.035 20 0 EDADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC000413906795 304087553 /nfs/dbraw/zinc/08/75/53/304087553.db2.gz ZCYAMIBRBIHNTM-OAHLLOKOSA-N 2 2 325.384 1.035 20 0 EDADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959646 306371412 /nfs/dbraw/zinc/37/14/12/306371412.db2.gz GORPDHCVFKWKHQ-UYAOXDASSA-N 3 2 329.488 1.840 20 0 EDADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959646 306371413 /nfs/dbraw/zinc/37/14/13/306371413.db2.gz GORPDHCVFKWKHQ-UYAOXDASSA-N 3 2 329.488 1.840 20 0 EDADLP C[NH+]1CC[C@@](O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959646 306371414 /nfs/dbraw/zinc/37/14/14/306371414.db2.gz GORPDHCVFKWKHQ-UYAOXDASSA-N 3 2 329.488 1.840 20 0 EDADLP C[NH+]1CC[C@@](O)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959646 306371415 /nfs/dbraw/zinc/37/14/15/306371415.db2.gz GORPDHCVFKWKHQ-UYAOXDASSA-N 3 2 329.488 1.840 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(Cl)cnn1C ZINC000131050520 223199670 /nfs/dbraw/zinc/19/96/70/223199670.db2.gz JJKOGUUCQKEHLN-ZDUSSCGKSA-N 2 2 327.860 1.106 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(Cl)cnn1C ZINC000131050520 223199672 /nfs/dbraw/zinc/19/96/72/223199672.db2.gz JJKOGUUCQKEHLN-ZDUSSCGKSA-N 2 2 327.860 1.106 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565635023 306388029 /nfs/dbraw/zinc/38/80/29/306388029.db2.gz WZMZUSVKZXYIAM-UGUYLWEFSA-N 2 2 333.480 1.861 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000565827736 306392439 /nfs/dbraw/zinc/39/24/39/306392439.db2.gz FRVFBESKQHSBML-CABCVRRESA-N 2 2 347.463 1.154 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(-n2ccnn2)cc1 ZINC000414368299 304112252 /nfs/dbraw/zinc/11/22/52/304112252.db2.gz RNJVZHHFFBATEX-CYBMUJFWSA-N 2 2 325.420 1.918 20 0 EDADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(-n2ccnn2)cc1 ZINC000414368301 304112272 /nfs/dbraw/zinc/11/22/72/304112272.db2.gz RNJVZHHFFBATEX-ZDUSSCGKSA-N 2 2 325.420 1.918 20 0 EDADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000565895078 306394268 /nfs/dbraw/zinc/39/42/68/306394268.db2.gz PCVLDDKHBGEKQC-QWRGUYRKSA-N 2 2 341.253 1.842 20 0 EDADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000565895078 306394269 /nfs/dbraw/zinc/39/42/69/306394269.db2.gz PCVLDDKHBGEKQC-QWRGUYRKSA-N 2 2 341.253 1.842 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@H]1CCOC1 ZINC000344860160 299356887 /nfs/dbraw/zinc/35/68/87/299356887.db2.gz VEXWUCZPDHTPMX-FHKFTOANSA-N 2 2 332.448 1.629 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)ccn12 ZINC000566457393 306414487 /nfs/dbraw/zinc/41/44/87/306414487.db2.gz HQMCNSALPSRRJH-INIZCTEOSA-N 2 2 342.443 1.827 20 0 EDADLP CN(CC[NH2+]C(C)(C)C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C ZINC000414756482 304137598 /nfs/dbraw/zinc/13/75/98/304137598.db2.gz JTDZMKAYOJVCLS-HOCLYGCPSA-N 2 2 325.476 1.652 20 0 EDADLP CN(CC[NH2+]C(C)(C)C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C ZINC000414756482 304137600 /nfs/dbraw/zinc/13/76/00/304137600.db2.gz JTDZMKAYOJVCLS-HOCLYGCPSA-N 2 2 325.476 1.652 20 0 EDADLP C[NH2+][C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000414989132 304148327 /nfs/dbraw/zinc/14/83/27/304148327.db2.gz QBOQNRMQVKDJCG-CYBMUJFWSA-N 2 2 330.432 1.946 20 0 EDADLP CC[N@H+](CCNS(C)(=O)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108540 203338760 /nfs/dbraw/zinc/33/87/60/203338760.db2.gz ZQJNXDLJJJTHEU-UHFFFAOYSA-N 2 2 340.493 1.169 20 0 EDADLP CC[N@@H+](CCNS(C)(=O)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108540 203338761 /nfs/dbraw/zinc/33/87/61/203338761.db2.gz ZQJNXDLJJJTHEU-UHFFFAOYSA-N 2 2 340.493 1.169 20 0 EDADLP O=C(COc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCCO1)NCC1CC1 ZINC000415049322 304154841 /nfs/dbraw/zinc/15/48/41/304154841.db2.gz XXAAGJHYCGYNPF-QGZVFWFLSA-N 2 2 347.459 1.060 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496310311 296162796 /nfs/dbraw/zinc/16/27/96/296162796.db2.gz VKHGNWKPQGFTHQ-ZBFHGGJFSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496310311 296162797 /nfs/dbraw/zinc/16/27/97/296162797.db2.gz VKHGNWKPQGFTHQ-ZBFHGGJFSA-N 2 2 341.496 1.678 20 0 EDADLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccccc1CS(=O)(=O)NC(C)C ZINC000415103568 304160053 /nfs/dbraw/zinc/16/00/53/304160053.db2.gz KOVGJRSWUZFRTN-QGZVFWFLSA-N 2 2 341.521 1.977 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2sccc2C(N)=O)CC1 ZINC000108370276 204259600 /nfs/dbraw/zinc/25/96/00/204259600.db2.gz SBNGDSGMQSUKQE-UHFFFAOYSA-N 2 2 338.477 1.638 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)s1 ZINC000111797523 204373796 /nfs/dbraw/zinc/37/37/96/204373796.db2.gz WGFJPFTWHSRFBC-UHFFFAOYSA-N 2 2 337.493 1.373 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000111874754 204377548 /nfs/dbraw/zinc/37/75/48/204377548.db2.gz BWZAOBRJODBISM-QGZVFWFLSA-N 2 2 348.491 1.481 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000111874754 204377553 /nfs/dbraw/zinc/37/75/53/204377553.db2.gz BWZAOBRJODBISM-QGZVFWFLSA-N 2 2 348.491 1.481 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)oc1C ZINC000111230998 204343485 /nfs/dbraw/zinc/34/34/85/204343485.db2.gz YLMXPLSJAIWQKP-MRXNPFEDSA-N 2 2 349.475 1.977 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)oc1C ZINC000111230998 204343488 /nfs/dbraw/zinc/34/34/88/204343488.db2.gz YLMXPLSJAIWQKP-MRXNPFEDSA-N 2 2 349.475 1.977 20 0 EDADLP C[C@H]([NH3+])C(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000195175333 139008849 /nfs/dbraw/zinc/00/88/49/139008849.db2.gz KLIJCVKRWHPGOX-LBPRGKRZSA-N 2 2 349.460 1.222 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000236980790 139037102 /nfs/dbraw/zinc/03/71/02/139037102.db2.gz RAMIXWXEXIEBHJ-CJNGLKHVSA-N 2 2 332.448 1.386 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000236991463 139037428 /nfs/dbraw/zinc/03/74/28/139037428.db2.gz CKFMPCSFDYZGPB-CRAIPNDOSA-N 2 2 349.475 1.387 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000155777431 205036338 /nfs/dbraw/zinc/03/63/38/205036338.db2.gz RQRZSDAXAVMHHG-INIZCTEOSA-N 2 2 346.475 1.597 20 0 EDADLP Cc1ccccc1NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126461482 205057626 /nfs/dbraw/zinc/05/76/26/205057626.db2.gz HGOSALDGNOUJSO-UHFFFAOYSA-N 2 2 332.492 1.891 20 0 EDADLP Cc1ccccc1NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126461482 205057629 /nfs/dbraw/zinc/05/76/29/205057629.db2.gz HGOSALDGNOUJSO-UHFFFAOYSA-N 2 2 332.492 1.891 20 0 EDADLP Cc1ccccc1NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126461482 205057630 /nfs/dbraw/zinc/05/76/30/205057630.db2.gz HGOSALDGNOUJSO-UHFFFAOYSA-N 2 2 332.492 1.891 20 0 EDADLP Cc1ccccc1NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126461482 205057633 /nfs/dbraw/zinc/05/76/33/205057633.db2.gz HGOSALDGNOUJSO-UHFFFAOYSA-N 2 2 332.492 1.891 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000237428448 139050932 /nfs/dbraw/zinc/05/09/32/139050932.db2.gz CNCPSEIXFCXWHF-CJNGLKHVSA-N 2 2 337.851 1.534 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2csc(C[NH3+])n2)C[C@H](C)O1 ZINC000237656745 139057108 /nfs/dbraw/zinc/05/71/08/139057108.db2.gz KLNLPNIPSSQLAY-QWRGUYRKSA-N 2 2 326.466 1.219 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000237792624 139060425 /nfs/dbraw/zinc/06/04/25/139060425.db2.gz NBOCLHPLGZKHKH-KURKYZTESA-N 2 2 331.460 1.612 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000237870852 139062544 /nfs/dbraw/zinc/06/25/44/139062544.db2.gz BJNXGIADWDUMFG-KURKYZTESA-N 2 2 331.460 1.694 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000238089214 139068838 /nfs/dbraw/zinc/06/88/38/139068838.db2.gz BMHVUVCOXKJTGS-KRWDZBQOSA-N 2 2 349.500 1.230 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(=O)OC)c3ccccc3)C2)CC1 ZINC000245445296 139075167 /nfs/dbraw/zinc/07/51/67/139075167.db2.gz YSPAQKWJNNAVRC-ZWKOTPCHSA-N 2 2 331.460 1.613 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156500293 206082460 /nfs/dbraw/zinc/08/24/60/206082460.db2.gz HJNVVOZVKASAKP-KKUMJFAQSA-N 2 2 335.452 1.636 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156500293 206082463 /nfs/dbraw/zinc/08/24/63/206082463.db2.gz HJNVVOZVKASAKP-KKUMJFAQSA-N 2 2 335.452 1.636 20 0 EDADLP C[N@H+]([C@@H]1Cc2ccccc2[C@H]1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000245859071 139087706 /nfs/dbraw/zinc/08/77/06/139087706.db2.gz OGGCPIKDAFEBNM-WOJBJXKFSA-N 2 2 340.471 1.938 20 0 EDADLP C[N@@H+]([C@@H]1Cc2ccccc2[C@H]1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000245859071 139087707 /nfs/dbraw/zinc/08/77/07/139087707.db2.gz OGGCPIKDAFEBNM-WOJBJXKFSA-N 2 2 340.471 1.938 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000158357824 206186793 /nfs/dbraw/zinc/18/67/93/206186793.db2.gz HAOLGYWPFWXLTC-GDBMZVCRSA-N 2 2 334.439 1.286 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245913283 139089597 /nfs/dbraw/zinc/08/95/97/139089597.db2.gz VYPDQFVWNRTIKV-GJZGRUSLSA-N 2 2 337.468 1.136 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245913283 139089598 /nfs/dbraw/zinc/08/95/98/139089598.db2.gz VYPDQFVWNRTIKV-GJZGRUSLSA-N 2 2 337.468 1.136 20 0 EDADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000415359030 304203345 /nfs/dbraw/zinc/20/33/45/304203345.db2.gz VNHOJSJNAALRGV-CYBMUJFWSA-N 2 2 340.383 1.620 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000168166333 206542783 /nfs/dbraw/zinc/54/27/83/206542783.db2.gz JFKBRVXYUFEBKQ-QLFBSQMISA-N 2 2 337.489 1.707 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000249722459 139197352 /nfs/dbraw/zinc/19/73/52/139197352.db2.gz AAFNPFGVANTWIS-ZHALLVOQSA-N 2 2 344.503 1.703 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261594046 139209282 /nfs/dbraw/zinc/20/92/82/139209282.db2.gz NGNUYLDQRUNORL-OAHLLOKOSA-N 2 2 326.400 1.295 20 0 EDADLP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261594046 139209283 /nfs/dbraw/zinc/20/92/83/139209283.db2.gz NGNUYLDQRUNORL-OAHLLOKOSA-N 2 2 326.400 1.295 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000261625245 139212361 /nfs/dbraw/zinc/21/23/61/139212361.db2.gz CNNCEUXAANFTIK-INIZCTEOSA-N 2 2 333.461 1.602 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000261625245 139212362 /nfs/dbraw/zinc/21/23/62/139212362.db2.gz CNNCEUXAANFTIK-INIZCTEOSA-N 2 2 333.461 1.602 20 0 EDADLP COc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000261694260 139218135 /nfs/dbraw/zinc/21/81/35/139218135.db2.gz NZTZOKNZFUZIOL-OAHLLOKOSA-N 2 2 335.448 1.192 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261806924 139227620 /nfs/dbraw/zinc/22/76/20/139227620.db2.gz WMFLEBIERZUARG-SJCJKPOMSA-N 2 2 325.403 1.683 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261806924 139227621 /nfs/dbraw/zinc/22/76/21/139227621.db2.gz WMFLEBIERZUARG-SJCJKPOMSA-N 2 2 325.403 1.683 20 0 EDADLP C[N@H+](CCN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000261899386 139235086 /nfs/dbraw/zinc/23/50/86/139235086.db2.gz VROSAVHTTKEOHR-HXUWFJFHSA-N 3 2 330.520 1.736 20 0 EDADLP C[N@@H+](CCN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000261899386 139235087 /nfs/dbraw/zinc/23/50/87/139235087.db2.gz VROSAVHTTKEOHR-HXUWFJFHSA-N 3 2 330.520 1.736 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261917035 139236715 /nfs/dbraw/zinc/23/67/15/139236715.db2.gz XDUFXAUXAKGIJI-INIZCTEOSA-N 2 2 331.460 1.729 20 0 EDADLP COCC1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC[NH2+]CC1 ZINC000261937569 139238554 /nfs/dbraw/zinc/23/85/54/139238554.db2.gz UGEMTFGDAMTKNN-UHFFFAOYSA-N 2 2 337.489 1.409 20 0 EDADLP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261978077 139241331 /nfs/dbraw/zinc/24/13/31/139241331.db2.gz NWFJVLPBEOPSHG-CXAGYDPISA-N 2 2 343.406 1.412 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000174509052 207024362 /nfs/dbraw/zinc/02/43/62/207024362.db2.gz RORFGIBTRICQKP-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000262245308 139263247 /nfs/dbraw/zinc/26/32/47/139263247.db2.gz IBYXCQUBZOIVEH-NIPBAFKLSA-N 2 2 335.492 1.319 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000262305868 139268601 /nfs/dbraw/zinc/26/86/01/139268601.db2.gz CGFVXURBVCTTDY-GOEBONIOSA-N 2 2 332.379 1.143 20 0 EDADLP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416871433 251114430 /nfs/dbraw/zinc/11/44/30/251114430.db2.gz XXCMVYZSGOGPNL-UHFFFAOYSA-N 2 2 348.491 1.645 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000416878819 251115496 /nfs/dbraw/zinc/11/54/96/251115496.db2.gz JRNLFYGZNUHLSD-PBHICJAKSA-N 2 2 332.448 1.007 20 0 EDADLP [NH3+]CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000416991976 251121259 /nfs/dbraw/zinc/12/12/59/251121259.db2.gz HDGFFBYXXFUOQN-ZDUSSCGKSA-N 2 2 328.819 1.874 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000416991489 251121311 /nfs/dbraw/zinc/12/13/11/251121311.db2.gz QHIQREBPQBPHAF-GDBMZVCRSA-N 2 2 349.479 1.623 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000262317020 139269350 /nfs/dbraw/zinc/26/93/50/139269350.db2.gz UTZWDHJWRAZTFH-IRXDYDNUSA-N 2 2 330.476 1.890 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000417498433 251181458 /nfs/dbraw/zinc/18/14/58/251181458.db2.gz DPCCDWIWHOZFDU-AWEZNQCLSA-N 2 2 334.464 1.616 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[N@H+]2CCOCC2(C)C)cc1 ZINC000417498433 251181461 /nfs/dbraw/zinc/18/14/61/251181461.db2.gz DPCCDWIWHOZFDU-AWEZNQCLSA-N 2 2 334.464 1.616 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417657773 251215962 /nfs/dbraw/zinc/21/59/62/251215962.db2.gz IHZCZDFIIXGQAC-TYNCELHUSA-N 2 2 340.418 1.946 20 0 EDADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000262470652 139281147 /nfs/dbraw/zinc/28/11/47/139281147.db2.gz YISZLSUIFRYTLU-ZDUSSCGKSA-N 2 2 325.840 1.458 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417815629 251281056 /nfs/dbraw/zinc/28/10/56/251281056.db2.gz IIWUSNSXOXDCEV-MCIONIFRSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417815629 251281059 /nfs/dbraw/zinc/28/10/59/251281059.db2.gz IIWUSNSXOXDCEV-MCIONIFRSA-N 2 2 340.493 1.546 20 0 EDADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000418127670 251337209 /nfs/dbraw/zinc/33/72/09/251337209.db2.gz RPNGNWRQSHTMIZ-AWEZNQCLSA-N 2 2 348.428 1.187 20 0 EDADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000418127670 251337213 /nfs/dbraw/zinc/33/72/13/251337213.db2.gz RPNGNWRQSHTMIZ-AWEZNQCLSA-N 2 2 348.428 1.187 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418711251 251391457 /nfs/dbraw/zinc/39/14/57/251391457.db2.gz WGQPSGMXNQDYER-IXDOHACOSA-N 2 2 348.491 1.655 20 0 EDADLP C[C@H](C[NH3+])NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000418525763 251376049 /nfs/dbraw/zinc/37/60/49/251376049.db2.gz OSOFQIIDNJBLES-CHWSQXEVSA-N 2 2 326.466 1.110 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262587732 139288545 /nfs/dbraw/zinc/28/85/45/139288545.db2.gz AIJLRZVCXYMDGC-AEFFLSMTSA-N 3 2 343.475 1.435 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000423008017 252026168 /nfs/dbraw/zinc/02/61/68/252026168.db2.gz ZCQBACHSQXVZQH-AGIUHOORSA-N 2 2 332.491 1.003 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423670184 252066684 /nfs/dbraw/zinc/06/66/84/252066684.db2.gz LXTXZAFTOGZMOS-MSOLQXFVSA-N 2 2 331.460 1.491 20 0 EDADLP COc1ccc(COCCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422912894 252020088 /nfs/dbraw/zinc/02/00/88/252020088.db2.gz XGKMHLGHDOIYJU-RTBURBONSA-N 2 2 334.460 1.959 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000422913314 252020474 /nfs/dbraw/zinc/02/04/74/252020474.db2.gz YFPZFFKYEHKQCY-HRCADAONSA-N 2 2 325.497 1.770 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000422913314 252020477 /nfs/dbraw/zinc/02/04/77/252020477.db2.gz YFPZFFKYEHKQCY-HRCADAONSA-N 2 2 325.497 1.770 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccccc2)CCN1C ZINC000423863056 252096262 /nfs/dbraw/zinc/09/62/62/252096262.db2.gz HEBJZNOJAOYPSD-YJBOKZPZSA-N 2 2 327.432 1.109 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423868990 252099700 /nfs/dbraw/zinc/09/97/00/252099700.db2.gz NYURSNTYDSJACU-WHBLYCTDSA-N 2 2 349.519 1.709 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000423868990 252099705 /nfs/dbraw/zinc/09/97/05/252099705.db2.gz NYURSNTYDSJACU-WHBLYCTDSA-N 2 2 349.519 1.709 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000423808265 252084878 /nfs/dbraw/zinc/08/48/78/252084878.db2.gz YXDHUQKOXNZAKQ-UHFFFAOYSA-N 2 2 332.448 1.945 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000424138729 252140597 /nfs/dbraw/zinc/14/05/97/252140597.db2.gz URRFMUAFBJUTFL-CQSZACIVSA-N 2 2 342.447 1.278 20 0 EDADLP C[C@@H]1CC2(CN1C(=O)C1CC[NH+](CC(F)F)CC1)CC[NH2+]CC2 ZINC000424239893 252175703 /nfs/dbraw/zinc/17/57/03/252175703.db2.gz OOSZGRQTUXWALZ-CYBMUJFWSA-N 2 2 329.435 1.954 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424295291 252191986 /nfs/dbraw/zinc/19/19/86/252191986.db2.gz RDQUNGOQYKCGBZ-APHBMKBZSA-N 2 2 333.432 1.337 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)C2)CC1 ZINC000263017054 139317982 /nfs/dbraw/zinc/31/79/82/139317982.db2.gz QLKIEBCNULDGCG-GJZGRUSLSA-N 2 2 329.435 1.954 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345027733 285035099 /nfs/dbraw/zinc/03/50/99/285035099.db2.gz JGSAPCNSOIWOFH-LSDHHAIUSA-N 2 2 335.452 1.281 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000345027733 285035101 /nfs/dbraw/zinc/03/51/01/285035101.db2.gz JGSAPCNSOIWOFH-LSDHHAIUSA-N 2 2 335.452 1.281 20 0 EDADLP O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000415702631 304259343 /nfs/dbraw/zinc/25/93/43/304259343.db2.gz DPEJULQPLWLZFD-OAHLLOKOSA-N 2 2 328.420 1.980 20 0 EDADLP CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000263502692 139345497 /nfs/dbraw/zinc/34/54/97/139345497.db2.gz LEIPDGIFAHCMLB-UHFFFAOYSA-N 2 2 328.416 1.899 20 0 EDADLP CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000263502692 139345498 /nfs/dbraw/zinc/34/54/98/139345498.db2.gz LEIPDGIFAHCMLB-UHFFFAOYSA-N 2 2 328.416 1.899 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3CO)CC2)c1 ZINC000263696434 139353516 /nfs/dbraw/zinc/35/35/16/139353516.db2.gz KPSYGLCFGUEWBJ-GOSISDBHSA-N 2 2 331.460 1.096 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC[C@@H]3CO)CC2)c1 ZINC000263696434 139353517 /nfs/dbraw/zinc/35/35/17/139353517.db2.gz KPSYGLCFGUEWBJ-GOSISDBHSA-N 2 2 331.460 1.096 20 0 EDADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H](C)C1 ZINC000488723256 255050895 /nfs/dbraw/zinc/05/08/95/255050895.db2.gz QMDBYRUOVXZFMW-ARFHVFGLSA-N 2 2 331.464 1.480 20 0 EDADLP C[C@@H]1C[C@H]1[N@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H](C)C1 ZINC000488723256 255050897 /nfs/dbraw/zinc/05/08/97/255050897.db2.gz QMDBYRUOVXZFMW-ARFHVFGLSA-N 2 2 331.464 1.480 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCn1cc[nH+]c1 ZINC000491852324 255152408 /nfs/dbraw/zinc/15/24/08/255152408.db2.gz OCORNMFKMQPYMI-HNNXBMFYSA-N 2 2 335.452 1.168 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCn1cc[nH+]c1 ZINC000491852324 255152409 /nfs/dbraw/zinc/15/24/09/255152409.db2.gz OCORNMFKMQPYMI-HNNXBMFYSA-N 2 2 335.452 1.168 20 0 EDADLP COC(=O)N1CCC([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000493359289 255206326 /nfs/dbraw/zinc/20/63/26/255206326.db2.gz RGVOYNTXYHXJTF-UHFFFAOYSA-N 2 2 327.469 1.696 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000493468768 255210437 /nfs/dbraw/zinc/21/04/37/255210437.db2.gz RKELEUUDLOCRBY-HPFMTEOYSA-N 2 2 326.400 1.176 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000493468768 255210438 /nfs/dbraw/zinc/21/04/38/255210438.db2.gz RKELEUUDLOCRBY-HPFMTEOYSA-N 2 2 326.400 1.176 20 0 EDADLP C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000494226641 255242573 /nfs/dbraw/zinc/24/25/73/255242573.db2.gz JAQBINFXUKUTRR-PBHICJAKSA-N 2 2 337.489 1.549 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000117280516 221042380 /nfs/dbraw/zinc/04/23/80/221042380.db2.gz YNQDKKPEUMJEQJ-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000117280516 221042385 /nfs/dbraw/zinc/04/23/85/221042385.db2.gz YNQDKKPEUMJEQJ-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000117280516 221042387 /nfs/dbraw/zinc/04/23/87/221042387.db2.gz YNQDKKPEUMJEQJ-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000117280516 221042390 /nfs/dbraw/zinc/04/23/90/221042390.db2.gz YNQDKKPEUMJEQJ-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000118123411 221124566 /nfs/dbraw/zinc/12/45/66/221124566.db2.gz OBLCDWOALUVWDE-UHFFFAOYSA-N 2 2 329.404 1.267 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000118123411 221124568 /nfs/dbraw/zinc/12/45/68/221124568.db2.gz OBLCDWOALUVWDE-UHFFFAOYSA-N 2 2 329.404 1.267 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCc1[nH+]ccn1C ZINC000264220649 139387745 /nfs/dbraw/zinc/38/77/45/139387745.db2.gz UJAKKSVGNPIOLV-UHFFFAOYSA-N 2 2 325.376 1.309 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)CC[C@@H]3CCOC3=O)CCC[NH+]2C)cn1 ZINC000328627298 258031516 /nfs/dbraw/zinc/03/15/16/258031516.db2.gz GAQSXVDOYGAXQD-HLLBOEOZSA-N 2 2 334.464 1.688 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC[C@@H]3CCOC3=O)CCC[NH+]2C)cn1 ZINC000328627298 258031517 /nfs/dbraw/zinc/03/15/17/258031517.db2.gz GAQSXVDOYGAXQD-HLLBOEOZSA-N 2 2 334.464 1.688 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)CC[C@@H]3CCOC3=O)CCC[N@@H+]2C)cn1 ZINC000328627298 258031519 /nfs/dbraw/zinc/03/15/19/258031519.db2.gz GAQSXVDOYGAXQD-HLLBOEOZSA-N 2 2 334.464 1.688 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)CC[C@@H]3CCOC3=O)CCC[N@H+]2C)cn1 ZINC000328627298 258031521 /nfs/dbraw/zinc/03/15/21/258031521.db2.gz GAQSXVDOYGAXQD-HLLBOEOZSA-N 2 2 334.464 1.688 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357184020 285360338 /nfs/dbraw/zinc/36/03/38/285360338.db2.gz GXFIZWYHYBOZSL-MSOLQXFVSA-N 2 2 331.460 1.092 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357184020 285360339 /nfs/dbraw/zinc/36/03/39/285360339.db2.gz GXFIZWYHYBOZSL-MSOLQXFVSA-N 2 2 331.460 1.092 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357184020 285360340 /nfs/dbraw/zinc/36/03/40/285360340.db2.gz GXFIZWYHYBOZSL-MSOLQXFVSA-N 2 2 331.460 1.092 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C1 ZINC000357184020 285360342 /nfs/dbraw/zinc/36/03/42/285360342.db2.gz GXFIZWYHYBOZSL-MSOLQXFVSA-N 2 2 331.460 1.092 20 0 EDADLP C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000416148415 304292796 /nfs/dbraw/zinc/29/27/96/304292796.db2.gz DALXTNRATSXBSQ-SJORKVTESA-N 2 2 345.487 1.660 20 0 EDADLP C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@H](C)[NH+]1CCOCC1 ZINC000416148415 304292798 /nfs/dbraw/zinc/29/27/98/304292798.db2.gz DALXTNRATSXBSQ-SJORKVTESA-N 2 2 345.487 1.660 20 0 EDADLP COc1cccc(C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C2CC2)c1 ZINC000269892524 140013736 /nfs/dbraw/zinc/01/37/36/140013736.db2.gz DPMVQVQZJHNWBE-RTBURBONSA-N 2 2 345.487 1.946 20 0 EDADLP COc1cccc(C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C2CC2)c1 ZINC000269892524 140013738 /nfs/dbraw/zinc/01/37/38/140013738.db2.gz DPMVQVQZJHNWBE-RTBURBONSA-N 2 2 345.487 1.946 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000270111903 140047193 /nfs/dbraw/zinc/04/71/93/140047193.db2.gz ZLWVMRXVHXHIPM-MRXNPFEDSA-N 2 2 331.464 1.786 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000270111903 140047194 /nfs/dbraw/zinc/04/71/94/140047194.db2.gz ZLWVMRXVHXHIPM-MRXNPFEDSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000270973213 140211022 /nfs/dbraw/zinc/21/10/22/140211022.db2.gz UEKMPJYMTDYBNP-MRXNPFEDSA-N 2 2 347.459 1.426 20 0 EDADLP Cc1[nH+]cc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)n1-c1ccccc1 ZINC000271163220 140249266 /nfs/dbraw/zinc/24/92/66/140249266.db2.gz ACTNICUYITXCDT-UHFFFAOYSA-N 2 2 341.459 1.562 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@H+]3CCC[C@H](C)C3)ccc2[nH+]1 ZINC000271534395 140308417 /nfs/dbraw/zinc/30/84/17/140308417.db2.gz GMPYTTKLAVBUCB-ZDUSSCGKSA-N 2 2 343.431 1.429 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@H](C)C3)ccc2[nH+]1 ZINC000271534395 140308419 /nfs/dbraw/zinc/30/84/19/140308419.db2.gz GMPYTTKLAVBUCB-ZDUSSCGKSA-N 2 2 343.431 1.429 20 0 EDADLP COCCCOCC[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000271572170 140313270 /nfs/dbraw/zinc/31/32/70/140313270.db2.gz OSYRJLUGHUHZQI-KRWDZBQOSA-N 2 2 349.475 1.999 20 0 EDADLP COCCCOCC[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000271572170 140313272 /nfs/dbraw/zinc/31/32/72/140313272.db2.gz OSYRJLUGHUHZQI-KRWDZBQOSA-N 2 2 349.475 1.999 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000271797564 140351792 /nfs/dbraw/zinc/35/17/92/140351792.db2.gz KMNBWFDVQMJVDA-SFHVURJKSA-N 2 2 334.460 1.597 20 0 EDADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000331686452 141067510 /nfs/dbraw/zinc/06/75/10/141067510.db2.gz XPCLWSLAKDVABL-CRAIPNDOSA-N 2 2 333.432 1.475 20 0 EDADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000331686452 141067511 /nfs/dbraw/zinc/06/75/11/141067511.db2.gz XPCLWSLAKDVABL-CRAIPNDOSA-N 2 2 333.432 1.475 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)CC[NH2+]1 ZINC000332074064 141118316 /nfs/dbraw/zinc/11/83/16/141118316.db2.gz XKNDQOCBKCWKQS-RBSFLKMASA-N 2 2 347.463 1.199 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)Cc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000332551945 141201767 /nfs/dbraw/zinc/20/17/67/141201767.db2.gz KTIUJGLJNZNDAX-ZIAGYGMSSA-N 2 2 337.468 1.449 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000332552207 141201886 /nfs/dbraw/zinc/20/18/86/141201886.db2.gz KISWSZPUPRUUEF-CHWSQXEVSA-N 2 2 330.432 1.122 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000332552207 141201887 /nfs/dbraw/zinc/20/18/87/141201887.db2.gz KISWSZPUPRUUEF-CHWSQXEVSA-N 2 2 330.432 1.122 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000332552207 141201889 /nfs/dbraw/zinc/20/18/89/141201889.db2.gz KISWSZPUPRUUEF-CHWSQXEVSA-N 2 2 330.432 1.122 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000332552207 141201890 /nfs/dbraw/zinc/20/18/90/141201890.db2.gz KISWSZPUPRUUEF-CHWSQXEVSA-N 2 2 330.432 1.122 20 0 EDADLP C[C@@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@@H](C[NH3+])C1 ZINC000332558724 141203220 /nfs/dbraw/zinc/20/32/20/141203220.db2.gz UADORQLOIWPAEM-GDBMZVCRSA-N 2 2 331.464 1.819 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3CC[N@H+](C)C[C@H]31)CCC2 ZINC000332852838 141241172 /nfs/dbraw/zinc/24/11/72/141241172.db2.gz XQPIOBWRAYOVTN-OWCLPIDISA-N 2 2 331.464 1.805 20 0 EDADLP Cn1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2=O)n1 ZINC000333139855 141270447 /nfs/dbraw/zinc/27/04/47/141270447.db2.gz CFCCGEWYRZLATH-INIZCTEOSA-N 2 2 331.464 1.522 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333538958 141333423 /nfs/dbraw/zinc/33/34/23/141333423.db2.gz JABQAPZQAJYCEC-HOTGVXAUSA-N 2 2 331.464 1.934 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1nnc(-c2ccco2)o1 ZINC000339979689 142220164 /nfs/dbraw/zinc/22/01/64/142220164.db2.gz KIQYLHLXOHCXAR-LLVKDONJSA-N 2 2 342.359 1.871 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1nnc(-c2ccco2)o1 ZINC000339979689 142220165 /nfs/dbraw/zinc/22/01/65/142220165.db2.gz KIQYLHLXOHCXAR-LLVKDONJSA-N 2 2 342.359 1.871 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCCC(F)(F)C2)CC1 ZINC000340247703 142318672 /nfs/dbraw/zinc/31/86/72/142318672.db2.gz ASFNWJYHYDSXLK-ZDUSSCGKSA-N 2 2 332.439 1.890 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3F)CC2)CC1 ZINC000572445211 306589053 /nfs/dbraw/zinc/58/90/53/306589053.db2.gz ZFUNUOWHMXXNMM-UHFFFAOYSA-N 2 2 337.414 1.951 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)CC1 ZINC000345039866 143042461 /nfs/dbraw/zinc/04/24/61/143042461.db2.gz YBNSETYZVRGJDP-APWZRJJASA-N 3 2 349.523 1.503 20 0 EDADLP COCC[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)CC1 ZINC000345039866 143042462 /nfs/dbraw/zinc/04/24/62/143042462.db2.gz YBNSETYZVRGJDP-APWZRJJASA-N 3 2 349.523 1.503 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000345897999 143144555 /nfs/dbraw/zinc/14/45/55/143144555.db2.gz ZVFXGSLQEVSVAQ-UHFFFAOYSA-N 2 2 332.314 1.868 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1CCOC ZINC000346176545 143175447 /nfs/dbraw/zinc/17/54/47/143175447.db2.gz IDILLOKADLVROA-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1CCOC ZINC000346176545 143175448 /nfs/dbraw/zinc/17/54/48/143175448.db2.gz IDILLOKADLVROA-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1CCOC ZINC000346176545 143175449 /nfs/dbraw/zinc/17/54/49/143175449.db2.gz IDILLOKADLVROA-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1CCOC ZINC000346176545 143175450 /nfs/dbraw/zinc/17/54/50/143175450.db2.gz IDILLOKADLVROA-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1)C1CC1 ZINC000346593639 143219896 /nfs/dbraw/zinc/21/98/96/143219896.db2.gz OHTPZRYRHXJNCL-GOSISDBHSA-N 2 2 331.464 1.727 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000347775871 143361796 /nfs/dbraw/zinc/36/17/96/143361796.db2.gz LDBRGHGFADLTLY-QGZVFWFLSA-N 2 2 347.459 1.026 20 0 EDADLP COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000347847489 143369984 /nfs/dbraw/zinc/36/99/84/143369984.db2.gz GMQIIBFNTZIDBK-JKSUJKDBSA-N 2 2 334.416 1.749 20 0 EDADLP COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1CCCc1c[nH+]ccc1C ZINC000347847489 143369985 /nfs/dbraw/zinc/36/99/85/143369985.db2.gz GMQIIBFNTZIDBK-JKSUJKDBSA-N 2 2 334.416 1.749 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](CNC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000347869290 143372615 /nfs/dbraw/zinc/37/26/15/143372615.db2.gz VCNBEYOZBMPCEI-PBHICJAKSA-N 2 2 330.436 1.206 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](CNC(=O)CCn2cc[nH+]c2)CCC[N@H+]1C ZINC000347869290 143372616 /nfs/dbraw/zinc/37/26/16/143372616.db2.gz VCNBEYOZBMPCEI-PBHICJAKSA-N 2 2 330.436 1.206 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416819452 304349926 /nfs/dbraw/zinc/34/99/26/304349926.db2.gz JLGFLUWROAWVHM-CHWSQXEVSA-N 2 2 326.466 1.029 20 0 EDADLP CC(C)(C[NH3+])NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416821089 304350139 /nfs/dbraw/zinc/35/01/39/304350139.db2.gz LNANGJVRDJDOBK-LBPRGKRZSA-N 2 2 326.466 1.158 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416897694 304354251 /nfs/dbraw/zinc/35/42/51/304354251.db2.gz YLVOAMVAANGCOM-ZWKOTPCHSA-N 2 2 348.491 1.733 20 0 EDADLP Cc1c([C@H]2OCC[C@H]2[NH2+]Cc2ncc(C[NH+](C)C)s2)cnn1C ZINC000352742856 149145790 /nfs/dbraw/zinc/14/57/90/149145790.db2.gz REQKRJOQTQOEEM-GDBMZVCRSA-N 2 2 335.477 1.866 20 0 EDADLP COc1cccc(C(=O)NCC[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352773842 149160035 /nfs/dbraw/zinc/16/00/35/149160035.db2.gz UYKNJGIBAQNBOF-UHFFFAOYSA-N 2 2 348.472 1.733 20 0 EDADLP O=C1NCCC[C@@H]1[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352886147 149203767 /nfs/dbraw/zinc/20/37/67/149203767.db2.gz FWCJPHHEFHWRFN-MOPGFXCFSA-N 2 2 342.487 1.157 20 0 EDADLP O=C1NCCC[C@@H]1[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352886147 149203769 /nfs/dbraw/zinc/20/37/69/149203769.db2.gz FWCJPHHEFHWRFN-MOPGFXCFSA-N 2 2 342.487 1.157 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CCc2c(C)noc2C)CC1 ZINC000353006583 149249830 /nfs/dbraw/zinc/24/98/30/149249830.db2.gz HIEJRIJOIQWOIB-UHFFFAOYSA-N 2 2 339.480 1.893 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000353091423 149282598 /nfs/dbraw/zinc/28/25/98/149282598.db2.gz WMHQJIFJMWVPCD-AEFFLSMTSA-N 2 2 348.491 1.179 20 0 EDADLP CSc1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000353109097 149289614 /nfs/dbraw/zinc/28/96/14/149289614.db2.gz GXKXHXITXXRAQM-UHFFFAOYSA-N 2 2 337.493 1.951 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000354861004 150000575 /nfs/dbraw/zinc/00/05/75/150000575.db2.gz FZVWXOFSYMZIGC-RDJZCZTQSA-N 3 2 337.487 1.795 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)c[nH+]2)C[C@H](C)O1 ZINC000416978722 304360234 /nfs/dbraw/zinc/36/02/34/304360234.db2.gz CZZZKHBKFPOMBI-DVOMOZLQSA-N 2 2 347.463 1.232 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000355014676 150077249 /nfs/dbraw/zinc/07/72/49/150077249.db2.gz QIXWNEVLGQIJST-GJZGRUSLSA-N 2 2 327.432 1.975 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c[nH+]1 ZINC000416985918 304361803 /nfs/dbraw/zinc/36/18/03/304361803.db2.gz LGTGVYKOBPXAMW-JKSUJKDBSA-N 2 2 349.479 1.576 20 0 EDADLP CC(C)C[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355413912 150258017 /nfs/dbraw/zinc/25/80/17/150258017.db2.gz VOFWVMAJSKMMGM-IXDOHACOSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)C[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355413912 150258019 /nfs/dbraw/zinc/25/80/19/150258019.db2.gz VOFWVMAJSKMMGM-IXDOHACOSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000355466978 150281064 /nfs/dbraw/zinc/28/10/64/150281064.db2.gz AGTFLZZZRJAFCM-HNNXBMFYSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000355466978 150281067 /nfs/dbraw/zinc/28/10/67/150281067.db2.gz AGTFLZZZRJAFCM-HNNXBMFYSA-N 2 2 347.463 1.154 20 0 EDADLP [NH3+][C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000417037301 304364450 /nfs/dbraw/zinc/36/44/50/304364450.db2.gz LNSXRDHILRDIQG-IAGOWNOFSA-N 2 2 332.448 1.096 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650619 151101697 /nfs/dbraw/zinc/10/16/97/151101697.db2.gz QEXCQPCWPIXLCL-INIZCTEOSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650619 151101699 /nfs/dbraw/zinc/10/16/99/151101699.db2.gz QEXCQPCWPIXLCL-INIZCTEOSA-N 2 2 333.476 1.388 20 0 EDADLP C[N@H+](CC(=O)NCc1cccc(Cl)c1)C1CC[NH+](CCO)CC1 ZINC000357655029 151104079 /nfs/dbraw/zinc/10/40/79/151104079.db2.gz YCNMEOUIUCTNSZ-UHFFFAOYSA-N 2 2 339.867 1.345 20 0 EDADLP C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C1CC[NH+](CCO)CC1 ZINC000357655029 151104081 /nfs/dbraw/zinc/10/40/81/151104081.db2.gz YCNMEOUIUCTNSZ-UHFFFAOYSA-N 2 2 339.867 1.345 20 0 EDADLP C[N@H+](C[C@@H](O)COCc1ccccc1F)C1CC[NH+](CCO)CC1 ZINC000357722579 151125811 /nfs/dbraw/zinc/12/58/11/151125811.db2.gz KACRBHGDOLWYOH-QGZVFWFLSA-N 2 2 340.439 1.092 20 0 EDADLP C[N@@H+](C[C@@H](O)COCc1ccccc1F)C1CC[NH+](CCO)CC1 ZINC000357722579 151125815 /nfs/dbraw/zinc/12/58/15/151125815.db2.gz KACRBHGDOLWYOH-QGZVFWFLSA-N 2 2 340.439 1.092 20 0 EDADLP CCCc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n(C)n1 ZINC000357849663 151172247 /nfs/dbraw/zinc/17/22/47/151172247.db2.gz KCNNBYAEYVFJOB-UHFFFAOYSA-N 2 2 336.484 1.520 20 0 EDADLP [NH3+][C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000417073288 304369951 /nfs/dbraw/zinc/36/99/51/304369951.db2.gz JQQXEOUVEBJUBI-MRXNPFEDSA-N 2 2 327.432 1.761 20 0 EDADLP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCC(=O)c1ccccc1 ZINC000358043046 151244795 /nfs/dbraw/zinc/24/47/95/151244795.db2.gz DRYWSZABUQCWSQ-UHFFFAOYSA-N 2 2 340.427 1.978 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000358153933 151289577 /nfs/dbraw/zinc/28/95/77/151289577.db2.gz GSUVTTUCFVDMOH-MMIPBJDJSA-N 2 2 330.476 1.926 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000358153933 151289580 /nfs/dbraw/zinc/28/95/80/151289580.db2.gz GSUVTTUCFVDMOH-MMIPBJDJSA-N 2 2 330.476 1.926 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000370062795 155308860 /nfs/dbraw/zinc/30/88/60/155308860.db2.gz MHFDKQHXYDCNBJ-INIZCTEOSA-N 2 2 342.443 1.795 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000370062795 155308863 /nfs/dbraw/zinc/30/88/63/155308863.db2.gz MHFDKQHXYDCNBJ-INIZCTEOSA-N 2 2 342.443 1.795 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)[NH+]2CCOCC2)cc1 ZINC000236698685 292253264 /nfs/dbraw/zinc/25/32/64/292253264.db2.gz KNYQQPGVLZVLON-ROUUACIJSA-N 2 2 333.476 1.858 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000360534842 152083888 /nfs/dbraw/zinc/08/38/88/152083888.db2.gz KTLMDJCFJLOBHI-SCLBCKFNSA-N 2 2 333.432 1.716 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000360534842 152083890 /nfs/dbraw/zinc/08/38/90/152083890.db2.gz KTLMDJCFJLOBHI-SCLBCKFNSA-N 2 2 333.432 1.716 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@]4(CC[NH2+]C4)C3)C2=O)c1 ZINC000360549966 152091184 /nfs/dbraw/zinc/09/11/84/152091184.db2.gz HKJQXQUZAMZYMD-HKUYNNGSSA-N 2 2 345.443 1.495 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@]4(CC[NH2+]C4)C3)C2=O)c1 ZINC000360549966 152091187 /nfs/dbraw/zinc/09/11/87/152091187.db2.gz HKJQXQUZAMZYMD-HKUYNNGSSA-N 2 2 345.443 1.495 20 0 EDADLP COCCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000360874182 152237454 /nfs/dbraw/zinc/23/74/54/152237454.db2.gz RSNNITUSGVUNQD-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP COCCC1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000360874182 152237456 /nfs/dbraw/zinc/23/74/56/152237456.db2.gz RSNNITUSGVUNQD-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP COC(=O)C[NH+]1CCC(Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC000361089110 152299405 /nfs/dbraw/zinc/29/94/05/152299405.db2.gz VCWYFYQZHYSFEF-SFHVURJKSA-N 2 2 347.459 1.303 20 0 EDADLP COC(=O)C[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000361089110 152299407 /nfs/dbraw/zinc/29/94/07/152299407.db2.gz VCWYFYQZHYSFEF-SFHVURJKSA-N 2 2 347.459 1.303 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000361129595 152315330 /nfs/dbraw/zinc/31/53/30/152315330.db2.gz WHJIGODCJONSMB-UHFFFAOYSA-N 3 2 336.524 1.537 20 0 EDADLP CCc1cnccc1[C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000361133052 152315942 /nfs/dbraw/zinc/31/59/42/152315942.db2.gz UOWRQVHZDQIMRS-HNNXBMFYSA-N 2 2 348.491 1.522 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[NH+]4CCC3CC4)c2)CC1 ZINC000361269703 152350121 /nfs/dbraw/zinc/35/01/21/152350121.db2.gz YUPFJXOROLUBIV-IBGZPJMESA-N 2 2 342.487 1.714 20 0 EDADLP CC(C)OCC[NH+]1CCC(Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000363565642 153002519 /nfs/dbraw/zinc/00/25/19/153002519.db2.gz GDONZBLREITGMX-UHFFFAOYSA-N 2 2 333.480 1.766 20 0 EDADLP CC(C)OCC[NH+]1CCC(Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000363565642 153002520 /nfs/dbraw/zinc/00/25/20/153002520.db2.gz GDONZBLREITGMX-UHFFFAOYSA-N 2 2 333.480 1.766 20 0 EDADLP Cc1ncsc1CC[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000363659380 153024261 /nfs/dbraw/zinc/02/42/61/153024261.db2.gz IJQAOXXAFVCORF-GOEBONIOSA-N 2 2 338.521 1.331 20 0 EDADLP Cc1ncsc1CC[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000363659380 153024262 /nfs/dbraw/zinc/02/42/62/153024262.db2.gz IJQAOXXAFVCORF-GOEBONIOSA-N 2 2 338.521 1.331 20 0 EDADLP Cc1ncsc1CC[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000363659380 153024263 /nfs/dbraw/zinc/02/42/63/153024263.db2.gz IJQAOXXAFVCORF-GOEBONIOSA-N 2 2 338.521 1.331 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000363659380 153024265 /nfs/dbraw/zinc/02/42/65/153024265.db2.gz IJQAOXXAFVCORF-GOEBONIOSA-N 2 2 338.521 1.331 20 0 EDADLP CCCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363709029 153036707 /nfs/dbraw/zinc/03/67/07/153036707.db2.gz BNBLJLYWTJTYDK-HRCADAONSA-N 2 2 332.510 1.290 20 0 EDADLP CCCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363709029 153036709 /nfs/dbraw/zinc/03/67/09/153036709.db2.gz BNBLJLYWTJTYDK-HRCADAONSA-N 2 2 332.510 1.290 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000363836887 153071473 /nfs/dbraw/zinc/07/14/73/153071473.db2.gz YFXUMWVBWGWOAN-JKSUJKDBSA-N 2 2 335.452 1.216 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000364293086 153198101 /nfs/dbraw/zinc/19/81/01/153198101.db2.gz OWYOXVSAYCBDNY-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000364293086 153198102 /nfs/dbraw/zinc/19/81/02/153198102.db2.gz OWYOXVSAYCBDNY-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000364630747 153289820 /nfs/dbraw/zinc/28/98/20/153289820.db2.gz LNZWWDOECCNFOB-LSDHHAIUSA-N 2 2 348.491 1.553 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000364630747 153289825 /nfs/dbraw/zinc/28/98/25/153289825.db2.gz LNZWWDOECCNFOB-LSDHHAIUSA-N 2 2 348.491 1.553 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000364724870 153315073 /nfs/dbraw/zinc/31/50/73/153315073.db2.gz QIJQYABZFGTGIA-JOQOYGCGSA-N 2 2 328.416 1.483 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@]3(O)CCO[C@H]3C)sc2C1 ZINC000364779057 153330531 /nfs/dbraw/zinc/33/05/31/153330531.db2.gz DXLBUVWBISNYDM-LRDDRELGSA-N 2 2 325.478 1.539 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367138694 154019695 /nfs/dbraw/zinc/01/96/95/154019695.db2.gz HPEDZXAPIVBUOZ-CABCVRRESA-N 2 2 336.480 1.561 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367138694 154019696 /nfs/dbraw/zinc/01/96/96/154019696.db2.gz HPEDZXAPIVBUOZ-CABCVRRESA-N 2 2 336.480 1.561 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367622618 154201400 /nfs/dbraw/zinc/20/14/00/154201400.db2.gz JKOPQIRAYNKKQV-MSOLQXFVSA-N 2 2 344.503 1.973 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367622618 154201404 /nfs/dbraw/zinc/20/14/04/154201404.db2.gz JKOPQIRAYNKKQV-MSOLQXFVSA-N 2 2 344.503 1.973 20 0 EDADLP CCCCOC(=O)[C@@H](C)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367623944 154204012 /nfs/dbraw/zinc/20/40/12/154204012.db2.gz SCURCJLFRINIDX-WBVHZDCISA-N 2 2 325.497 1.819 20 0 EDADLP CCCCOC(=O)[C@@H](C)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367623944 154204014 /nfs/dbraw/zinc/20/40/14/154204014.db2.gz SCURCJLFRINIDX-WBVHZDCISA-N 2 2 325.497 1.819 20 0 EDADLP COC(=O)[C@@H](c1cccnc1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000367655000 154217171 /nfs/dbraw/zinc/21/71/71/154217171.db2.gz BFXIQOJLCJRBQK-QGZVFWFLSA-N 2 2 347.459 1.730 20 0 EDADLP NC(=O)c1cc(OC2CC[NH+](CCCn3cc[nH+]c3)CC2)ccn1 ZINC000367686697 154229812 /nfs/dbraw/zinc/22/98/12/154229812.db2.gz VODBVQJNMNNBLC-UHFFFAOYSA-N 2 2 329.404 1.311 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000367901089 154317742 /nfs/dbraw/zinc/31/77/42/154317742.db2.gz IHWVAXFSZXYWMI-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000367989048 154356633 /nfs/dbraw/zinc/35/66/33/154356633.db2.gz PANGNYSQEHXTMU-SJLPKXTDSA-N 2 2 331.460 1.660 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000368071378 154396512 /nfs/dbraw/zinc/39/65/12/154396512.db2.gz GLOVBYCUVSCQRP-UHFFFAOYSA-N 2 2 339.399 1.769 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000369635433 155117731 /nfs/dbraw/zinc/11/77/31/155117731.db2.gz BWBICFTWNMPHBB-AWEZNQCLSA-N 2 2 331.424 1.003 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000371606340 156027281 /nfs/dbraw/zinc/02/72/81/156027281.db2.gz DWLHLWYFRWJWTE-MSOLQXFVSA-N 2 2 330.476 1.670 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000371606340 156027282 /nfs/dbraw/zinc/02/72/82/156027282.db2.gz DWLHLWYFRWJWTE-MSOLQXFVSA-N 2 2 330.476 1.670 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CCCCCn3cccn3)CC2)C(=O)C1 ZINC000371641727 156043337 /nfs/dbraw/zinc/04/33/37/156043337.db2.gz IPXFQUKILYDFPQ-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CCCCCn3cccn3)CC2)C(=O)C1 ZINC000371641727 156043340 /nfs/dbraw/zinc/04/33/40/156043340.db2.gz IPXFQUKILYDFPQ-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP c1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372045525 156222780 /nfs/dbraw/zinc/22/27/80/156222780.db2.gz DLCXRGVZKMKVBH-IEBWSBKVSA-N 2 2 345.487 1.896 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCO[C@H]3CCC[C@H]32)CC1 ZINC000372268027 156295719 /nfs/dbraw/zinc/29/57/19/156295719.db2.gz VKHBHRSMDHLMGS-SJORKVTESA-N 2 2 338.496 1.365 20 0 EDADLP O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3cc[nH+]c4ccncc43)CC2)C1 ZINC000373795294 157007958 /nfs/dbraw/zinc/00/79/58/157007958.db2.gz MZCILVKQRQABLZ-CQSZACIVSA-N 2 2 346.456 1.375 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3nccs3)CC2)CC1 ZINC000373994160 157098635 /nfs/dbraw/zinc/09/86/35/157098635.db2.gz UTZDXFLQCPKSSI-CQSZACIVSA-N 2 2 336.505 1.875 20 0 EDADLP Cn1ccc(N2CCC[C@H]([NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2=O)n1 ZINC000374214101 157198560 /nfs/dbraw/zinc/19/85/60/157198560.db2.gz XFDGOYSPQOAJAY-HNNXBMFYSA-N 2 2 328.420 1.518 20 0 EDADLP Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000374228398 157203750 /nfs/dbraw/zinc/20/37/50/157203750.db2.gz GQYUPSHJKBNIMH-OAHLLOKOSA-N 2 2 343.475 1.561 20 0 EDADLP Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000374228398 157203752 /nfs/dbraw/zinc/20/37/52/157203752.db2.gz GQYUPSHJKBNIMH-OAHLLOKOSA-N 2 2 343.475 1.561 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n(C)n1 ZINC000374257050 157216108 /nfs/dbraw/zinc/21/61/08/157216108.db2.gz CASRWZLVQPIDRZ-CQSZACIVSA-N 2 2 334.468 1.361 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n(C)n1 ZINC000374257050 157216112 /nfs/dbraw/zinc/21/61/12/157216112.db2.gz CASRWZLVQPIDRZ-CQSZACIVSA-N 2 2 334.468 1.361 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(N(C)C)ccn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374283744 157226881 /nfs/dbraw/zinc/22/68/81/157226881.db2.gz OXZNWKBEWZXYFL-HNNXBMFYSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@H]1CN(C(=O)c2cc(N(C)C)ccn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374283744 157226884 /nfs/dbraw/zinc/22/68/84/157226884.db2.gz OXZNWKBEWZXYFL-HNNXBMFYSA-N 2 2 345.491 1.388 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)C(C)C ZINC000376804488 157835270 /nfs/dbraw/zinc/83/52/70/157835270.db2.gz ZGVZCLCASWPQIG-SJORKVTESA-N 2 2 340.512 1.610 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000377991014 158049695 /nfs/dbraw/zinc/04/96/95/158049695.db2.gz ILVVMGJLXFOIBR-KRWDZBQOSA-N 2 2 347.507 1.810 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+]([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000377991014 158049696 /nfs/dbraw/zinc/04/96/96/158049696.db2.gz ILVVMGJLXFOIBR-KRWDZBQOSA-N 2 2 347.507 1.810 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378219107 158113265 /nfs/dbraw/zinc/11/32/65/158113265.db2.gz AIJCHIJAFAUOAG-MRXNPFEDSA-N 2 2 325.416 1.872 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CCO2)CC1 ZINC000378350211 158147224 /nfs/dbraw/zinc/14/72/24/158147224.db2.gz NLXOSZSJLCDMAY-KRWDZBQOSA-N 2 2 329.448 1.011 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CCO2)CC1 ZINC000378350211 158147229 /nfs/dbraw/zinc/14/72/29/158147229.db2.gz NLXOSZSJLCDMAY-KRWDZBQOSA-N 2 2 329.448 1.011 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378370882 158155295 /nfs/dbraw/zinc/15/52/95/158155295.db2.gz OOMMHQVOTWEZEH-LSDHHAIUSA-N 2 2 345.491 1.142 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2CCc3n[nH]cc3C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378370882 158155297 /nfs/dbraw/zinc/15/52/97/158155297.db2.gz OOMMHQVOTWEZEH-LSDHHAIUSA-N 2 2 345.491 1.142 20 0 EDADLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000378405943 158165206 /nfs/dbraw/zinc/16/52/06/158165206.db2.gz SWUAPTGCENXKNO-ZTFGCOKTSA-N 2 2 328.460 1.645 20 0 EDADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000378451238 158177808 /nfs/dbraw/zinc/17/78/08/158177808.db2.gz DNVKOBPAICRHRR-KBAYOESNSA-N 2 2 339.524 1.432 20 0 EDADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000378451238 158177811 /nfs/dbraw/zinc/17/78/11/158177811.db2.gz DNVKOBPAICRHRR-KBAYOESNSA-N 2 2 339.524 1.432 20 0 EDADLP Cc1cc(=O)[nH]c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000408037577 158247252 /nfs/dbraw/zinc/24/72/52/158247252.db2.gz FMRLHGGQSFNOLG-CQSZACIVSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1cc(=O)[nH]c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000408037577 158247253 /nfs/dbraw/zinc/24/72/53/158247253.db2.gz FMRLHGGQSFNOLG-CQSZACIVSA-N 2 2 332.448 1.336 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C[C@H](C)O ZINC000352200386 162045125 /nfs/dbraw/zinc/04/51/25/162045125.db2.gz AHRKDQKYVULLDL-KRWDZBQOSA-N 2 2 333.476 1.342 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)C[C@H](C)O ZINC000352200386 162045127 /nfs/dbraw/zinc/04/51/27/162045127.db2.gz AHRKDQKYVULLDL-KRWDZBQOSA-N 2 2 333.476 1.342 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CC[C@@H](O)C3)CC2)CC1 ZINC000352252586 162074794 /nfs/dbraw/zinc/07/47/94/162074794.db2.gz FLCVBIGGVZEPJM-RHSMWYFYSA-N 2 2 338.496 1.005 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000352333672 162124278 /nfs/dbraw/zinc/12/42/78/162124278.db2.gz VKVUSDKGCPYVGQ-AWEZNQCLSA-N 2 2 333.523 1.612 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000352505286 162217134 /nfs/dbraw/zinc/21/71/34/162217134.db2.gz ZOVZVNFXGRJQLY-ZIFCJYIRSA-N 2 2 344.503 1.274 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352520486 162228142 /nfs/dbraw/zinc/22/81/42/162228142.db2.gz YTSJMFQFHHVFIS-SFFUCWETSA-N 2 2 336.524 1.295 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C3CC(O)C3)CC2)c1 ZINC000353496696 162262459 /nfs/dbraw/zinc/26/24/59/162262459.db2.gz QMGCLUDIBLVCKV-UHFFFAOYSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C3CC(O)C3)CC2)c1 ZINC000353496696 162262461 /nfs/dbraw/zinc/26/24/61/162262461.db2.gz QMGCLUDIBLVCKV-UHFFFAOYSA-N 2 2 331.460 1.094 20 0 EDADLP CC[N@H+](C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000066988319 287244398 /nfs/dbraw/zinc/24/43/98/287244398.db2.gz SUIVCMLBVSPZPK-HNNXBMFYSA-N 2 2 333.411 1.900 20 0 EDADLP CC[N@@H+](C)CCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000066988319 287244402 /nfs/dbraw/zinc/24/44/02/287244402.db2.gz SUIVCMLBVSPZPK-HNNXBMFYSA-N 2 2 333.411 1.900 20 0 EDADLP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000074110571 287268256 /nfs/dbraw/zinc/26/82/56/287268256.db2.gz XPZGKLPJRMDACX-ULQDDVLXSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000074110571 287268257 /nfs/dbraw/zinc/26/82/57/287268257.db2.gz XPZGKLPJRMDACX-ULQDDVLXSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333742168 287294578 /nfs/dbraw/zinc/29/45/78/287294578.db2.gz XTLGUZOOPGWZBT-RVKKMQEKSA-N 2 2 336.480 1.466 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333742168 287294581 /nfs/dbraw/zinc/29/45/81/287294581.db2.gz XTLGUZOOPGWZBT-RVKKMQEKSA-N 2 2 336.480 1.466 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117802822 287347574 /nfs/dbraw/zinc/34/75/74/287347574.db2.gz SYWZYVGUQFQQJH-MRXNPFEDSA-N 2 2 341.459 1.628 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246583522 287386452 /nfs/dbraw/zinc/38/64/52/287386452.db2.gz ICQAITIRYMIYFN-KURKYZTESA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246583522 287386453 /nfs/dbraw/zinc/38/64/53/287386453.db2.gz ICQAITIRYMIYFN-KURKYZTESA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418432915 304495646 /nfs/dbraw/zinc/49/56/46/304495646.db2.gz CKKNCXPSNKLCOO-QGZVFWFLSA-N 2 2 348.491 1.766 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC([NH3+])CC2)cc1OC ZINC000237288014 273008801 /nfs/dbraw/zinc/00/88/01/273008801.db2.gz HECSWOPPMNXZNI-INIZCTEOSA-N 2 2 347.459 1.790 20 0 EDADLP CS[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@H]1[NH+]1CCCC1 ZINC000273508258 268054409 /nfs/dbraw/zinc/05/44/09/268054409.db2.gz NGSDJYJNAIKXKY-CVEARBPZSA-N 2 2 344.484 1.915 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000274580368 268162721 /nfs/dbraw/zinc/16/27/21/268162721.db2.gz FDHYOXIZHBOQFG-IUODEOHRSA-N 2 2 347.488 1.916 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccc3nnc(C(C)(C)C)n3n2)CC1 ZINC000274934466 268242589 /nfs/dbraw/zinc/24/25/89/268242589.db2.gz RNVBTULOXYQILY-UHFFFAOYSA-N 2 2 345.495 1.860 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1nc2ccccc2s1 ZINC000275331840 268324160 /nfs/dbraw/zinc/32/41/60/268324160.db2.gz WCPYHKMBOGZDPZ-UHFFFAOYSA-N 2 2 332.473 1.892 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1nc2ccccc2s1 ZINC000275331840 268324161 /nfs/dbraw/zinc/32/41/61/268324161.db2.gz WCPYHKMBOGZDPZ-UHFFFAOYSA-N 2 2 332.473 1.892 20 0 EDADLP 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Cc1[nH]nc2ncc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)cc12 ZINC000353285276 280193294 /nfs/dbraw/zinc/19/32/94/280193294.db2.gz HDSYPCCOOCLYIX-HNNXBMFYSA-N 2 2 329.448 1.811 20 0 EDADLP O=S(=O)(CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422711912 280335945 /nfs/dbraw/zinc/33/59/45/280335945.db2.gz HSHMGPXMKVHGGN-IRXDYDNUSA-N 2 2 338.473 1.207 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3noc4c3CCCC4)cn2)CC1 ZINC000288521332 288505439 /nfs/dbraw/zinc/50/54/39/288505439.db2.gz UTYZHKQPSLRSBT-UHFFFAOYSA-N 2 2 342.447 1.385 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000332065427 288722051 /nfs/dbraw/zinc/72/20/51/288722051.db2.gz SHPALQABDJBOQG-ILXRZTDVSA-N 2 2 347.463 1.152 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000290292927 288873454 /nfs/dbraw/zinc/87/34/54/288873454.db2.gz YCPOKLYBHGQYBP-HOTGVXAUSA-N 2 2 332.448 1.169 20 0 EDADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCn2c[nH+]cc2C1 ZINC000291202331 289017381 /nfs/dbraw/zinc/01/73/81/289017381.db2.gz UTAQUMKWUJQSAV-SFHVURJKSA-N 2 2 340.427 1.516 20 0 EDADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCn2c[nH+]cc2C1 ZINC000291202331 289017383 /nfs/dbraw/zinc/01/73/83/289017383.db2.gz UTAQUMKWUJQSAV-SFHVURJKSA-N 2 2 340.427 1.516 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413349168 289375646 /nfs/dbraw/zinc/37/56/46/289375646.db2.gz FUUAZLLZNBNBKA-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352144 289383800 /nfs/dbraw/zinc/38/38/00/289383800.db2.gz YQJNLTSXUKPCGR-ZIAGYGMSSA-N 2 2 336.867 1.647 20 0 EDADLP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352144 289383801 /nfs/dbraw/zinc/38/38/01/289383801.db2.gz YQJNLTSXUKPCGR-ZIAGYGMSSA-N 2 2 336.867 1.647 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCO2 ZINC000292858285 289455634 /nfs/dbraw/zinc/45/56/34/289455634.db2.gz QYYKQMYVESXVCU-AWEZNQCLSA-N 2 2 347.459 1.661 20 0 EDADLP COC(=O)N1CCN(c2ccc(NC3CC[NH+](C)CC3)c[nH+]2)CC1 ZINC000292869635 289458858 /nfs/dbraw/zinc/45/88/58/289458858.db2.gz BFLYUYVNSAGPKE-UHFFFAOYSA-N 2 2 333.436 1.476 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944633 290203876 /nfs/dbraw/zinc/20/38/76/290203876.db2.gz CNMUPODUDVERDE-HOTGVXAUSA-N 2 2 338.402 1.715 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944633 290203881 /nfs/dbraw/zinc/20/38/81/290203881.db2.gz CNMUPODUDVERDE-HOTGVXAUSA-N 2 2 338.402 1.715 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1([S@@](C)=O)CCC1 ZINC000366672316 297020265 /nfs/dbraw/zinc/02/02/65/297020265.db2.gz WAFTWZASEYPEED-TWJGEFDFSA-N 2 2 328.522 1.767 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1([S@@](C)=O)CCC1 ZINC000366672316 297020267 /nfs/dbraw/zinc/02/02/67/297020267.db2.gz WAFTWZASEYPEED-TWJGEFDFSA-N 2 2 328.522 1.767 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000416993614 295275500 /nfs/dbraw/zinc/27/55/00/295275500.db2.gz MSHNTRBEKCGBGV-YOEHRIQHSA-N 2 2 327.432 1.858 20 0 EDADLP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329002582 297145905 /nfs/dbraw/zinc/14/59/05/297145905.db2.gz HFLLVTTULONURL-SCFUHWHPSA-N 2 2 332.448 1.629 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCCC[NH+]1CCO)[N@@H+]1CCc2ccccc2C1 ZINC000331963347 298162873 /nfs/dbraw/zinc/16/28/73/298162873.db2.gz BFOHHFVEIZESGW-VQIMIIECSA-N 2 2 345.487 1.396 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCCC[NH+]1CCO)[N@H+]1CCc2ccccc2C1 ZINC000331963347 298162876 /nfs/dbraw/zinc/16/28/76/298162876.db2.gz BFOHHFVEIZESGW-VQIMIIECSA-N 2 2 345.487 1.396 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1CCc2ccccc2C1 ZINC000331963347 298162878 /nfs/dbraw/zinc/16/28/78/298162878.db2.gz BFOHHFVEIZESGW-VQIMIIECSA-N 2 2 345.487 1.396 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)[NH+]1CCc2ccccc2C1 ZINC000331963347 298162880 /nfs/dbraw/zinc/16/28/80/298162880.db2.gz BFOHHFVEIZESGW-VQIMIIECSA-N 2 2 345.487 1.396 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(COC)CCC3)CC2)CC1 ZINC000422025953 447314040 /nfs/dbraw/zinc/31/40/40/447314040.db2.gz TWUGWZQPSLGOBP-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(COC)CCC3)CC2)CC1 ZINC000422025953 447314043 /nfs/dbraw/zinc/31/40/43/447314043.db2.gz TWUGWZQPSLGOBP-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420379310 304753965 /nfs/dbraw/zinc/75/39/65/304753965.db2.gz XRASHZHDBQBHJF-WFGGJUAMSA-N 2 2 332.448 1.349 20 0 EDADLP O=C1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]([C@H]2CCCO2)N1 ZINC000377724029 447317591 /nfs/dbraw/zinc/31/75/91/447317591.db2.gz MAAFIYOYTAVURB-YQVWRLOYSA-N 2 2 340.427 1.788 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N[C@H](C)CCC[NH3+])[NH+]2CCOCC2)c1 ZINC000416999063 302031409 /nfs/dbraw/zinc/03/14/09/302031409.db2.gz PYFKYCHIEPHOSL-AEFFLSMTSA-N 2 2 348.491 1.795 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/[C@H]3CCOC3)CC2)CC1 ZINC000493421824 447326389 /nfs/dbraw/zinc/32/63/89/447326389.db2.gz MBYZFPDITWYPLV-BDUNBXCCSA-N 2 2 335.492 1.598 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/[C@H]3CCOC3)CC2)CC1 ZINC000493421824 447326392 /nfs/dbraw/zinc/32/63/92/447326392.db2.gz MBYZFPDITWYPLV-BDUNBXCCSA-N 2 2 335.492 1.598 20 0 EDADLP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnn(C)n2)cc1OC ZINC000293707955 303006882 /nfs/dbraw/zinc/00/68/82/303006882.db2.gz XPFGDIMTEPZNOQ-UHFFFAOYSA-N 2 2 347.463 1.834 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000294102276 303063122 /nfs/dbraw/zinc/06/31/22/303063122.db2.gz OMFKEVBKYURVSO-UHFFFAOYSA-N 2 2 329.395 1.360 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000295212253 303189527 /nfs/dbraw/zinc/18/95/27/303189527.db2.gz QBQBNULRKFEPAE-GOSISDBHSA-N 2 2 341.459 1.463 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000295212253 303189529 /nfs/dbraw/zinc/18/95/29/303189529.db2.gz QBQBNULRKFEPAE-GOSISDBHSA-N 2 2 341.459 1.463 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2)CC1 ZINC000295844650 303274805 /nfs/dbraw/zinc/27/48/05/303274805.db2.gz FSCBVVUZNIXQDX-GOSISDBHSA-N 2 2 325.460 1.865 20 0 EDADLP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2)CC1 ZINC000295844650 303274807 /nfs/dbraw/zinc/27/48/07/303274807.db2.gz FSCBVVUZNIXQDX-GOSISDBHSA-N 2 2 325.460 1.865 20 0 EDADLP O=C1NCCN1CC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295958716 303286239 /nfs/dbraw/zinc/28/62/39/303286239.db2.gz MOJNJOGIVSPZJO-HNNXBMFYSA-N 2 2 345.447 1.160 20 0 EDADLP O=C1NCCN1CC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295958716 303286242 /nfs/dbraw/zinc/28/62/42/303286242.db2.gz MOJNJOGIVSPZJO-HNNXBMFYSA-N 2 2 345.447 1.160 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[NH+](C)CC1 ZINC000299599102 303634783 /nfs/dbraw/zinc/63/47/83/303634783.db2.gz FFAMNJAOFAALJW-INIZCTEOSA-N 2 2 345.491 1.324 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000301822349 303697749 /nfs/dbraw/zinc/69/77/49/303697749.db2.gz BXAXZOIVJWZXCK-UHFFFAOYSA-N 2 2 342.447 1.519 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000303315457 303744989 /nfs/dbraw/zinc/74/49/89/303744989.db2.gz TYHBZSSBEVWHCK-INIZCTEOSA-N 2 2 333.480 1.148 20 0 EDADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000423381672 304894196 /nfs/dbraw/zinc/89/41/96/304894196.db2.gz IGKNUFJAWGSUPQ-SWLSCSKDSA-N 2 2 325.478 1.763 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000423381673 304894186 /nfs/dbraw/zinc/89/41/86/304894186.db2.gz IGKNUFJAWGSUPQ-WFASDCNBSA-N 2 2 325.478 1.763 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)[C@@H](C)[NH3+] ZINC000423913814 304915652 /nfs/dbraw/zinc/91/56/52/304915652.db2.gz KMUOEKDPNWWWIG-HOSILWTGSA-N 2 2 339.459 1.068 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428033906 305004690 /nfs/dbraw/zinc/00/46/90/305004690.db2.gz BQTUWAXTTLERBT-MAUKXSAKSA-N 2 2 349.450 1.737 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428033906 305004691 /nfs/dbraw/zinc/00/46/91/305004691.db2.gz BQTUWAXTTLERBT-MAUKXSAKSA-N 2 2 349.450 1.737 20 0 EDADLP C[C@H]1[NH2+]CCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@H]1C ZINC000428042651 305005255 /nfs/dbraw/zinc/00/52/55/305005255.db2.gz DBXGDFWLPOVOHR-OLZOCXBDSA-N 2 2 337.493 1.360 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCCCOc1ccccc1F ZINC000430569019 305056214 /nfs/dbraw/zinc/05/62/14/305056214.db2.gz DNUUOFAUKNUJEB-QGZVFWFLSA-N 2 2 325.428 1.674 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000430572717 305056558 /nfs/dbraw/zinc/05/65/58/305056558.db2.gz GFRVGLCSCMBOLT-INIZCTEOSA-N 2 2 327.419 1.929 20 0 EDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000430572717 305056559 /nfs/dbraw/zinc/05/65/59/305056559.db2.gz GFRVGLCSCMBOLT-INIZCTEOSA-N 2 2 327.419 1.929 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000430603371 305058144 /nfs/dbraw/zinc/05/81/44/305058144.db2.gz YMMILISZBZJURZ-LJQANCHMSA-N 3 2 348.491 1.420 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430615807 305059215 /nfs/dbraw/zinc/05/92/15/305059215.db2.gz DELAZBQDHQCSSF-HZPDHXFCSA-N 2 2 347.459 1.346 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430615807 305059216 /nfs/dbraw/zinc/05/92/16/305059216.db2.gz DELAZBQDHQCSSF-HZPDHXFCSA-N 2 2 347.459 1.346 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000430620138 305059533 /nfs/dbraw/zinc/05/95/33/305059533.db2.gz BWORIUVADYSHBZ-LBPRGKRZSA-N 2 2 348.838 1.530 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000430620138 305059534 /nfs/dbraw/zinc/05/95/34/305059534.db2.gz BWORIUVADYSHBZ-LBPRGKRZSA-N 2 2 348.838 1.530 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430644656 305061025 /nfs/dbraw/zinc/06/10/25/305061025.db2.gz ACUDUEULZDLMQH-OAHLLOKOSA-N 2 2 340.489 1.790 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430644656 305061026 /nfs/dbraw/zinc/06/10/26/305061026.db2.gz ACUDUEULZDLMQH-OAHLLOKOSA-N 2 2 340.489 1.790 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430822609 305065297 /nfs/dbraw/zinc/06/52/97/305065297.db2.gz LMUBJSQXUGDIGP-KRWDZBQOSA-N 2 2 326.400 1.439 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)n(-c2ccc(C)cc2)n1 ZINC000430921230 305068111 /nfs/dbraw/zinc/06/81/11/305068111.db2.gz RZEGLRQCJJAZQG-OAHLLOKOSA-N 2 2 327.432 1.708 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)n(-c2ccc(C)cc2)n1 ZINC000430921230 305068112 /nfs/dbraw/zinc/06/81/12/305068112.db2.gz RZEGLRQCJJAZQG-OAHLLOKOSA-N 2 2 327.432 1.708 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000430922679 305068268 /nfs/dbraw/zinc/06/82/68/305068268.db2.gz BXGMJFMWRRGABI-ZFWWWQNUSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000430922679 305068269 /nfs/dbraw/zinc/06/82/69/305068269.db2.gz BXGMJFMWRRGABI-ZFWWWQNUSA-N 2 2 332.448 1.386 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000430927025 305068684 /nfs/dbraw/zinc/06/86/84/305068684.db2.gz HOAYVPDQYTWWRM-CQSZACIVSA-N 2 2 329.366 1.858 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C1 ZINC000430927025 305068685 /nfs/dbraw/zinc/06/86/85/305068685.db2.gz HOAYVPDQYTWWRM-CQSZACIVSA-N 2 2 329.366 1.858 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000430937468 305069411 /nfs/dbraw/zinc/06/94/11/305069411.db2.gz CACODFDKQJEAPT-CJNGLKHVSA-N 2 2 330.457 1.629 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000430937468 305069412 /nfs/dbraw/zinc/06/94/12/305069412.db2.gz CACODFDKQJEAPT-CJNGLKHVSA-N 2 2 330.457 1.629 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH+]1CCC([NH2+]C)CC1 ZINC000430955144 305070486 /nfs/dbraw/zinc/07/04/86/305070486.db2.gz YKOLGXIPNLDLKQ-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000431573859 305079934 /nfs/dbraw/zinc/07/99/34/305079934.db2.gz DYIBFOXTUPKCSP-UHFFFAOYSA-N 2 2 335.429 1.630 20 0 EDADLP CCn1ccnc1CN(Cc1c[nH+]cn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000432056994 305086490 /nfs/dbraw/zinc/08/64/90/305086490.db2.gz IMJCLPUOCLTGFE-INIZCTEOSA-N 2 2 328.464 1.781 20 0 EDADLP C[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000433141457 305101486 /nfs/dbraw/zinc/10/14/86/305101486.db2.gz PCYLOBCINRNNTA-GDBMZVCRSA-N 2 2 337.489 1.407 20 0 EDADLP COc1ccc([C@H](NC(=O)[C@@H](C[NH3+])C(C)C)c2[nH+]ccn2C)cc1 ZINC000433162101 305102156 /nfs/dbraw/zinc/10/21/56/305102156.db2.gz LLIMECGJYJPBOX-HOTGVXAUSA-N 2 2 330.432 1.865 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000433928903 305114758 /nfs/dbraw/zinc/11/47/58/305114758.db2.gz BKVSISDQSLMQQL-IKGGRYGDSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000433928903 305114759 /nfs/dbraw/zinc/11/47/59/305114759.db2.gz BKVSISDQSLMQQL-IKGGRYGDSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000434192643 305118696 /nfs/dbraw/zinc/11/86/96/305118696.db2.gz ADZMAVKHMHTVDH-YESZJQIVSA-N 2 2 340.512 1.611 20 0 EDADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000435390357 305139739 /nfs/dbraw/zinc/13/97/39/305139739.db2.gz RQDAOPCYGQOFPP-AWEZNQCLSA-N 2 2 328.416 1.830 20 0 EDADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435390357 305139740 /nfs/dbraw/zinc/13/97/40/305139740.db2.gz RQDAOPCYGQOFPP-AWEZNQCLSA-N 2 2 328.416 1.830 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cnccn1)[C@H]1CC12CC[NH2+]CC2 ZINC000435558440 305142245 /nfs/dbraw/zinc/14/22/45/305142245.db2.gz FKCFNWZUGXVKSF-HNNXBMFYSA-N 2 2 340.431 1.478 20 0 EDADLP C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435617161 305143523 /nfs/dbraw/zinc/14/35/23/305143523.db2.gz MVJBNTNFUPWYET-CQSZACIVSA-N 2 2 341.477 1.638 20 0 EDADLP C[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435617161 305143524 /nfs/dbraw/zinc/14/35/24/305143524.db2.gz MVJBNTNFUPWYET-CQSZACIVSA-N 2 2 341.477 1.638 20 0 EDADLP C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC000435622263 305143770 /nfs/dbraw/zinc/14/37/70/305143770.db2.gz CNSABJJNHSUYOJ-ZDUSSCGKSA-N 2 2 348.403 1.137 20 0 EDADLP C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]CC1 ZINC000435622263 305143771 /nfs/dbraw/zinc/14/37/71/305143771.db2.gz CNSABJJNHSUYOJ-ZDUSSCGKSA-N 2 2 348.403 1.137 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435625857 305143985 /nfs/dbraw/zinc/14/39/85/305143985.db2.gz NASNBROMYVZVRM-QGZVFWFLSA-N 2 2 344.459 1.591 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435625857 305143986 /nfs/dbraw/zinc/14/39/86/305143986.db2.gz NASNBROMYVZVRM-QGZVFWFLSA-N 2 2 344.459 1.591 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435625844 305144027 /nfs/dbraw/zinc/14/40/27/305144027.db2.gz MZARYHUYMMZTHS-IKGGRYGDSA-N 2 2 325.497 1.772 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435625844 305144028 /nfs/dbraw/zinc/14/40/28/305144028.db2.gz MZARYHUYMMZTHS-IKGGRYGDSA-N 2 2 325.497 1.772 20 0 EDADLP C[NH2+]CCCN1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000435876221 305148749 /nfs/dbraw/zinc/14/87/49/305148749.db2.gz HKNLGRIECQNSLK-UHFFFAOYSA-N 2 2 330.476 1.193 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)Nc1ccc(F)cc1 ZINC000441248969 305219667 /nfs/dbraw/zinc/21/96/67/305219667.db2.gz XHNTWOSNWQWBGM-IXDOHACOSA-N 2 2 335.423 1.948 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)Nc1ccc(F)cc1 ZINC000441248969 305219668 /nfs/dbraw/zinc/21/96/68/305219668.db2.gz XHNTWOSNWQWBGM-IXDOHACOSA-N 2 2 335.423 1.948 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000441279061 305220063 /nfs/dbraw/zinc/22/00/63/305220063.db2.gz OHRLVIHYHFQHCI-KRWDZBQOSA-N 2 2 339.443 1.738 20 0 EDADLP C[N@H+](CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000442983819 305232643 /nfs/dbraw/zinc/23/26/43/305232643.db2.gz PEOIRKNDEUFMLJ-UHFFFAOYSA-N 2 2 334.445 1.304 20 0 EDADLP C[N@@H+](CCNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)C1CC1 ZINC000442983819 305232644 /nfs/dbraw/zinc/23/26/44/305232644.db2.gz PEOIRKNDEUFMLJ-UHFFFAOYSA-N 2 2 334.445 1.304 20 0 EDADLP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000447562738 305282245 /nfs/dbraw/zinc/28/22/45/305282245.db2.gz MRECMSYGGKBERY-KRWDZBQOSA-N 2 2 328.464 1.511 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000447562738 305282246 /nfs/dbraw/zinc/28/22/46/305282246.db2.gz MRECMSYGGKBERY-KRWDZBQOSA-N 2 2 328.464 1.511 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccncc3F)cc2)CC1 ZINC000449082959 305306020 /nfs/dbraw/zinc/30/60/20/305306020.db2.gz RFGOGYJNDJOIGM-UHFFFAOYSA-N 2 2 342.418 1.898 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccncc1F ZINC000449262235 305310027 /nfs/dbraw/zinc/31/00/27/305310027.db2.gz BYLAIFHAEQAIHK-GJZGRUSLSA-N 2 2 335.402 1.999 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccncc1F ZINC000449262235 305310028 /nfs/dbraw/zinc/31/00/28/305310028.db2.gz BYLAIFHAEQAIHK-GJZGRUSLSA-N 2 2 335.402 1.999 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+](CCC(N)=O)[C@H]1CCOc2ccccc21)C1CC1 ZINC000451706413 305363439 /nfs/dbraw/zinc/36/34/39/305363439.db2.gz GKLFNKKMGDHOEJ-WBVHZDCISA-N 2 2 347.459 1.143 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+](CCC(N)=O)[C@H]1CCOc2ccccc21)C1CC1 ZINC000451706413 305363440 /nfs/dbraw/zinc/36/34/40/305363440.db2.gz GKLFNKKMGDHOEJ-WBVHZDCISA-N 2 2 347.459 1.143 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](CCC(N)=O)[C@H]1CCOc2ccccc21)C1CC1 ZINC000451706413 305363441 /nfs/dbraw/zinc/36/34/41/305363441.db2.gz GKLFNKKMGDHOEJ-WBVHZDCISA-N 2 2 347.459 1.143 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](CCC(N)=O)[C@H]1CCOc2ccccc21)C1CC1 ZINC000451706413 305363442 /nfs/dbraw/zinc/36/34/42/305363442.db2.gz GKLFNKKMGDHOEJ-WBVHZDCISA-N 2 2 347.459 1.143 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccncc1 ZINC000453139486 305405921 /nfs/dbraw/zinc/40/59/21/305405921.db2.gz IFGJKZJZUJQERO-DLBZAZTESA-N 2 2 332.448 1.055 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)[NH+](C)C ZINC000454181537 305417609 /nfs/dbraw/zinc/41/76/09/305417609.db2.gz ZBEBTGFOJUJNRZ-KBPBESRZSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000519643777 305772185 /nfs/dbraw/zinc/77/21/85/305772185.db2.gz KJSKGZZIFONRMS-BFHYXJOUSA-N 2 2 335.452 1.232 20 0 EDADLP CON1CCC([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000521427043 305789537 /nfs/dbraw/zinc/78/95/37/305789537.db2.gz YJVIUESMXUIZJL-INIZCTEOSA-N 2 2 332.448 1.629 20 0 EDADLP CCN1C[C@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1=O ZINC000521995926 305796885 /nfs/dbraw/zinc/79/68/85/305796885.db2.gz OEWZHLPCDPAHGZ-CABCVRRESA-N 2 2 330.432 1.224 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000449122103 447362877 /nfs/dbraw/zinc/36/28/77/447362877.db2.gz KELMTYLVOCXFKT-QGZVFWFLSA-N 2 2 327.432 1.073 20 0 EDADLP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000377801967 447363279 /nfs/dbraw/zinc/36/32/79/447363279.db2.gz DETPVERXNJSJEC-RBUKOAKNSA-N 2 2 343.471 1.672 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000528685148 305884130 /nfs/dbraw/zinc/88/41/30/305884130.db2.gz IKBIVFQHBOPRDL-INIZCTEOSA-N 2 2 347.463 1.688 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000534579577 306008046 /nfs/dbraw/zinc/00/80/46/306008046.db2.gz WODINZBXDLGTQE-AWEZNQCLSA-N 2 2 349.456 1.692 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C1 ZINC000534579577 306008047 /nfs/dbraw/zinc/00/80/47/306008047.db2.gz WODINZBXDLGTQE-AWEZNQCLSA-N 2 2 349.456 1.692 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068427 306019303 /nfs/dbraw/zinc/01/93/03/306019303.db2.gz DVVUOPUWVHGYIL-QWHCGFSZSA-N 2 2 342.399 1.965 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068427 306019304 /nfs/dbraw/zinc/01/93/04/306019304.db2.gz DVVUOPUWVHGYIL-QWHCGFSZSA-N 2 2 342.399 1.965 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000536600654 306023731 /nfs/dbraw/zinc/02/37/31/306023731.db2.gz ZURGTZNAVHJZNA-CYBMUJFWSA-N 2 2 332.379 1.918 20 0 EDADLP CC(C)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH+]1CCOCC1 ZINC000540848820 306040890 /nfs/dbraw/zinc/04/08/90/306040890.db2.gz GYJCHSUNEFFQMD-KRWDZBQOSA-N 2 2 334.464 1.235 20 0 EDADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542157543 306051739 /nfs/dbraw/zinc/05/17/39/306051739.db2.gz BYUPHOJMUHTHKC-GOEBONIOSA-N 2 2 327.432 1.965 20 0 EDADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547954326 306115732 /nfs/dbraw/zinc/11/57/32/306115732.db2.gz NXQUQEIGFGCEJV-IRXDYDNUSA-N 2 2 339.443 1.772 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547954326 306115733 /nfs/dbraw/zinc/11/57/33/306115733.db2.gz NXQUQEIGFGCEJV-IRXDYDNUSA-N 2 2 339.443 1.772 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000548668044 306134296 /nfs/dbraw/zinc/13/42/96/306134296.db2.gz UJGBUVHUJBEUMR-WBVHZDCISA-N 2 2 349.479 1.815 20 0 EDADLP CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[C@H](C(F)(F)F)C1 ZINC000550962451 306155201 /nfs/dbraw/zinc/15/52/01/306155201.db2.gz MSTOHZWYAGMMPE-GHMZBOCLSA-N 2 2 332.370 1.977 20 0 EDADLP CC(C)(C)[N@H+]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[C@H](C(F)(F)F)C1 ZINC000550962451 306155202 /nfs/dbraw/zinc/15/52/02/306155202.db2.gz MSTOHZWYAGMMPE-GHMZBOCLSA-N 2 2 332.370 1.977 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000551624021 306159074 /nfs/dbraw/zinc/15/90/74/306159074.db2.gz XBLAUVRKHWVJQJ-UHFFFAOYSA-N 2 2 349.479 1.159 20 0 EDADLP C[NH+](C)CCCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000552554803 306180233 /nfs/dbraw/zinc/18/02/33/306180233.db2.gz WWQBRQYRSPUVFA-SFHVURJKSA-N 2 2 333.476 1.908 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000554077120 306189274 /nfs/dbraw/zinc/18/92/74/306189274.db2.gz JXJUABGWHJMZHH-UHFFFAOYSA-N 2 2 343.431 1.352 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n(Cc2ccccc2)n1 ZINC000556938063 306221398 /nfs/dbraw/zinc/22/13/98/306221398.db2.gz UGXDIGDUKLEJNJ-MRXNPFEDSA-N 2 2 342.447 1.346 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000557219602 306226623 /nfs/dbraw/zinc/22/66/23/306226623.db2.gz GBTZJWMNOLJZAL-BZUAXINKSA-N 2 2 338.496 1.269 20 0 EDADLP Cc1nc(N2CCN(C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)cc[nH+]1 ZINC000557221593 306226767 /nfs/dbraw/zinc/22/67/67/306226767.db2.gz KQMBBCQWOXRDPR-HNNXBMFYSA-N 2 2 346.479 1.395 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)Nc1ccn2cc[nH+]c2c1 ZINC000377816429 447371124 /nfs/dbraw/zinc/37/11/24/447371124.db2.gz GUGZEXUEEXVTMG-CABCVRRESA-N 2 2 329.404 1.709 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)Nc1ccn2cc[nH+]c2c1 ZINC000377816429 447371133 /nfs/dbraw/zinc/37/11/33/447371133.db2.gz GUGZEXUEEXVTMG-CABCVRRESA-N 2 2 329.404 1.709 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOCC34CCCCC4)cn2)CC1 ZINC000449623511 447379725 /nfs/dbraw/zinc/37/97/25/447379725.db2.gz JHBXJLWOXUHOGI-UHFFFAOYSA-N 2 2 345.491 1.764 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCOCC34CCCCC4)cn2)CC1 ZINC000449623511 447379731 /nfs/dbraw/zinc/37/97/31/447379731.db2.gz JHBXJLWOXUHOGI-UHFFFAOYSA-N 2 2 345.491 1.764 20 0 EDADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414971678 447380479 /nfs/dbraw/zinc/38/04/79/447380479.db2.gz IQUIFUQCGUDGKY-SFHVURJKSA-N 2 2 326.444 1.750 20 0 EDADLP Cc1cccc(CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657093084 453676286 /nfs/dbraw/zinc/67/62/86/453676286.db2.gz XULPJILCDPMWCL-UHFFFAOYSA-N 2 2 327.494 1.298 20 0 EDADLP Cc1cccc(CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000657093084 453676289 /nfs/dbraw/zinc/67/62/89/453676289.db2.gz XULPJILCDPMWCL-UHFFFAOYSA-N 2 2 327.494 1.298 20 0 EDADLP CSC1(C[NH+]2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)CCC1 ZINC000378140078 447403492 /nfs/dbraw/zinc/40/34/92/447403492.db2.gz YHMVZXPRGKLTEP-CQSZACIVSA-N 2 2 332.535 1.513 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000449888408 447407205 /nfs/dbraw/zinc/40/72/05/447407205.db2.gz NIXVFRFTUUOBNX-HNNXBMFYSA-N 2 2 334.464 1.333 20 0 EDADLP C[C@H](Oc1ccccn1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000449888408 447407209 /nfs/dbraw/zinc/40/72/09/447407209.db2.gz NIXVFRFTUUOBNX-HNNXBMFYSA-N 2 2 334.464 1.333 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045022274 440938434 /nfs/dbraw/zinc/93/84/34/440938434.db2.gz SPWMTGQGCLCVJC-GASCZTMLSA-N 2 2 344.459 1.960 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045022274 440938443 /nfs/dbraw/zinc/93/84/43/440938443.db2.gz SPWMTGQGCLCVJC-GASCZTMLSA-N 2 2 344.459 1.960 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000101974617 441163802 /nfs/dbraw/zinc/16/38/02/441163802.db2.gz STSBKBBUBHGKLX-SFHVURJKSA-N 2 2 348.491 1.527 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000101974617 441163803 /nfs/dbraw/zinc/16/38/03/441163803.db2.gz STSBKBBUBHGKLX-SFHVURJKSA-N 2 2 348.491 1.527 20 0 EDADLP CC(C)[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000101974617 441163805 /nfs/dbraw/zinc/16/38/05/441163805.db2.gz STSBKBBUBHGKLX-SFHVURJKSA-N 2 2 348.491 1.527 20 0 EDADLP CC(C)[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000101974617 441163807 /nfs/dbraw/zinc/16/38/07/441163807.db2.gz STSBKBBUBHGKLX-SFHVURJKSA-N 2 2 348.491 1.527 20 0 EDADLP CC1CC[NH+](CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000104037073 441188124 /nfs/dbraw/zinc/18/81/24/441188124.db2.gz OXBANYJSPRLKOI-UHFFFAOYSA-N 2 2 345.487 1.981 20 0 EDADLP C[NH+]1CCC(CNC(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000105277499 441247104 /nfs/dbraw/zinc/24/71/04/441247104.db2.gz YMZNMRTZFJIPCO-UHFFFAOYSA-N 2 2 346.475 1.982 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060910161 441261968 /nfs/dbraw/zinc/26/19/68/441261968.db2.gz CQJVXRFJKZFPKN-GOSISDBHSA-N 2 2 346.475 1.282 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060910161 441261969 /nfs/dbraw/zinc/26/19/69/441261969.db2.gz CQJVXRFJKZFPKN-GOSISDBHSA-N 2 2 346.475 1.282 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000105786796 441268209 /nfs/dbraw/zinc/26/82/09/441268209.db2.gz OTDSDIKICXGFRB-AWEZNQCLSA-N 2 2 331.464 1.724 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC3CC[NH+](C4CC4)CC3)[nH+]cn2)C1 ZINC000105786796 441268211 /nfs/dbraw/zinc/26/82/11/441268211.db2.gz OTDSDIKICXGFRB-AWEZNQCLSA-N 2 2 331.464 1.724 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000047964835 441243315 /nfs/dbraw/zinc/24/33/15/441243315.db2.gz FOCQUIIQSVXQEG-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000047964835 441243321 /nfs/dbraw/zinc/24/33/21/441243321.db2.gz FOCQUIIQSVXQEG-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000073569108 441325980 /nfs/dbraw/zinc/32/59/80/441325980.db2.gz DKFPLPCTVMKEEW-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000073569108 441325984 /nfs/dbraw/zinc/32/59/84/441325984.db2.gz DKFPLPCTVMKEEW-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000074249542 441412122 /nfs/dbraw/zinc/41/21/22/441412122.db2.gz FFDWTQWYCPZJRJ-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000074249542 441412126 /nfs/dbraw/zinc/41/21/26/441412126.db2.gz FFDWTQWYCPZJRJ-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000052290105 441444622 /nfs/dbraw/zinc/44/46/22/441444622.db2.gz NGWJAXIREAYFPR-UHFFFAOYSA-N 2 2 338.415 1.936 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000076013424 441577937 /nfs/dbraw/zinc/57/79/37/441577937.db2.gz YMXISHMDNDUSDG-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000076013424 441577939 /nfs/dbraw/zinc/57/79/39/441577939.db2.gz YMXISHMDNDUSDG-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000054539967 441584082 /nfs/dbraw/zinc/58/40/82/441584082.db2.gz JRNIMKSTJXWBBH-AEFFLSMTSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000054539967 441584084 /nfs/dbraw/zinc/58/40/84/441584084.db2.gz JRNIMKSTJXWBBH-AEFFLSMTSA-N 2 2 346.475 1.453 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000089926323 441596648 /nfs/dbraw/zinc/59/66/48/441596648.db2.gz ABFWCNDQMBOQEI-MRXNPFEDSA-N 2 2 330.432 1.290 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000113646850 441622762 /nfs/dbraw/zinc/62/27/62/441622762.db2.gz CEQZBINWRIUTBL-CYBMUJFWSA-N 2 2 334.420 1.409 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000113646850 441622766 /nfs/dbraw/zinc/62/27/66/441622766.db2.gz CEQZBINWRIUTBL-CYBMUJFWSA-N 2 2 334.420 1.409 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000067684426 441666577 /nfs/dbraw/zinc/66/65/77/441666577.db2.gz HUCPWSWTGGIPCR-OAHLLOKOSA-N 2 2 333.480 1.791 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000067684426 441666580 /nfs/dbraw/zinc/66/65/80/441666580.db2.gz HUCPWSWTGGIPCR-OAHLLOKOSA-N 2 2 333.480 1.791 20 0 EDADLP COC(=O)c1oc([C@H](C)[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1C ZINC000091538600 441712108 /nfs/dbraw/zinc/71/21/08/441712108.db2.gz GGQYEQAXBXLIQP-ZDUSSCGKSA-N 2 2 337.420 1.141 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121621672 441744891 /nfs/dbraw/zinc/74/48/91/441744891.db2.gz SYOKRXGYLBXURI-IBGZPJMESA-N 2 2 345.487 1.878 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121621672 441744897 /nfs/dbraw/zinc/74/48/97/441744897.db2.gz SYOKRXGYLBXURI-IBGZPJMESA-N 2 2 345.487 1.878 20 0 EDADLP C[N@H+](CCCO)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000115519712 441750621 /nfs/dbraw/zinc/75/06/21/441750621.db2.gz XGSHPDXNNVPRAA-UHFFFAOYSA-N 2 2 333.480 1.750 20 0 EDADLP C[N@@H+](CCCO)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000115519712 441750634 /nfs/dbraw/zinc/75/06/34/441750634.db2.gz XGSHPDXNNVPRAA-UHFFFAOYSA-N 2 2 333.480 1.750 20 0 EDADLP C[N@H+](CCCO)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000115519712 441750641 /nfs/dbraw/zinc/75/06/41/441750641.db2.gz XGSHPDXNNVPRAA-UHFFFAOYSA-N 2 2 333.480 1.750 20 0 EDADLP C[N@@H+](CCCO)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000115519712 441750647 /nfs/dbraw/zinc/75/06/47/441750647.db2.gz XGSHPDXNNVPRAA-UHFFFAOYSA-N 2 2 333.480 1.750 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000137208649 441756365 /nfs/dbraw/zinc/75/63/65/441756365.db2.gz CDCVBBHGMROGMB-CVEARBPZSA-N 2 2 333.480 1.869 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000137208649 441756369 /nfs/dbraw/zinc/75/63/69/441756369.db2.gz CDCVBBHGMROGMB-CVEARBPZSA-N 2 2 333.480 1.869 20 0 EDADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121515524 441723091 /nfs/dbraw/zinc/72/30/91/441723091.db2.gz JXDZXOGBODYRLM-UHFFFAOYSA-N 2 2 348.472 1.728 20 0 EDADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121515524 441723095 /nfs/dbraw/zinc/72/30/95/441723095.db2.gz JXDZXOGBODYRLM-UHFFFAOYSA-N 2 2 348.472 1.728 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c(O)cccc3O)CC2)CC1 ZINC000092120461 441773710 /nfs/dbraw/zinc/77/37/10/441773710.db2.gz SRZLORSKCZGEAR-UHFFFAOYSA-N 2 2 333.432 1.386 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000121766927 441777357 /nfs/dbraw/zinc/77/73/57/441777357.db2.gz VHQRJPRIVNILFJ-UHFFFAOYSA-N 2 2 340.431 1.859 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCNc1cccc[nH+]1 ZINC000173564604 441794481 /nfs/dbraw/zinc/79/44/81/441794481.db2.gz IVGNYXURWISFCT-QGZVFWFLSA-N 2 2 334.464 1.793 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000042897770 441796289 /nfs/dbraw/zinc/79/62/89/441796289.db2.gz SMXKCAFPUSCIOE-UHFFFAOYSA-N 2 2 335.452 1.027 20 0 EDADLP C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[NH+](C)CC1 ZINC000121921322 441811758 /nfs/dbraw/zinc/81/17/58/441811758.db2.gz AGRVLKSBCSLYQP-DLBZAZTESA-N 2 2 348.491 1.559 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000173639580 441811728 /nfs/dbraw/zinc/81/17/28/441811728.db2.gz RDCSVHMACQZCQM-KRWDZBQOSA-N 2 2 347.503 1.743 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093146974 441860608 /nfs/dbraw/zinc/86/06/08/441860608.db2.gz HIWGGSGNOZMURB-INIZCTEOSA-N 2 2 328.464 1.331 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093146974 441860612 /nfs/dbraw/zinc/86/06/12/441860612.db2.gz HIWGGSGNOZMURB-INIZCTEOSA-N 2 2 328.464 1.331 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000173974004 441872133 /nfs/dbraw/zinc/87/21/33/441872133.db2.gz RVOFCIDQTZFEEE-LSDHHAIUSA-N 2 2 349.475 1.907 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823328 441828162 /nfs/dbraw/zinc/82/81/62/441828162.db2.gz IHRDPYDZMANXIL-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823328 441828165 /nfs/dbraw/zinc/82/81/65/441828165.db2.gz IHRDPYDZMANXIL-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823328 441828167 /nfs/dbraw/zinc/82/81/67/441828167.db2.gz IHRDPYDZMANXIL-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823328 441828168 /nfs/dbraw/zinc/82/81/68/441828168.db2.gz IHRDPYDZMANXIL-SJORKVTESA-N 2 2 344.459 1.429 20 0 EDADLP CC[C@@H](COC)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119062307 441915144 /nfs/dbraw/zinc/91/51/44/441915144.db2.gz QVIFLICNALPZPA-JKSUJKDBSA-N 2 2 349.479 1.297 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000119554523 441939976 /nfs/dbraw/zinc/93/99/76/441939976.db2.gz WHPQYUSTSSZVRQ-ZIAGYGMSSA-N 2 2 348.447 1.513 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NCC[NH+]1CCOCC1)CC(C)C ZINC000124814891 441956534 /nfs/dbraw/zinc/95/65/34/441956534.db2.gz FTVWWZSWHOSPEP-MRXNPFEDSA-N 2 2 328.501 1.374 20 0 EDADLP CCc1nnc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000175086375 442003007 /nfs/dbraw/zinc/00/30/07/442003007.db2.gz SFWQGNPMPFTKOC-UHFFFAOYSA-N 2 2 326.470 1.248 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175608108 442092708 /nfs/dbraw/zinc/09/27/08/442092708.db2.gz HPDWFZAQVSJQPT-MRXNPFEDSA-N 3 2 339.528 1.186 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000126276814 442094449 /nfs/dbraw/zinc/09/44/49/442094449.db2.gz MECSPUSEDGVKRH-HNNXBMFYSA-N 2 2 327.388 1.004 20 0 EDADLP CN(CC[NH+](C)C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000176166644 442185632 /nfs/dbraw/zinc/18/56/32/442185632.db2.gz LYPLEYNIHVTXAM-UHFFFAOYSA-N 2 2 334.464 1.222 20 0 EDADLP Cc1ccc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)c(C)[nH+]1 ZINC000152232269 442185725 /nfs/dbraw/zinc/18/57/25/442185725.db2.gz PIYYYFKOCKKYFY-UHFFFAOYSA-N 2 2 347.463 1.797 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000167512222 442221776 /nfs/dbraw/zinc/22/17/76/442221776.db2.gz YERAAORILRGLEY-IEBWSBKVSA-N 2 2 345.487 1.878 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000152808406 442245446 /nfs/dbraw/zinc/24/54/46/442245446.db2.gz UMBVOPGTWBYNBC-WBVHZDCISA-N 2 2 349.479 1.586 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)CCO1 ZINC000171006195 442298278 /nfs/dbraw/zinc/29/82/78/442298278.db2.gz HMVQCTDNDPVDAJ-UHFFFAOYSA-N 2 2 345.447 1.287 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCCc2cn3ccccc3[nH+]2)CCO1 ZINC000171006195 442298279 /nfs/dbraw/zinc/29/82/79/442298279.db2.gz HMVQCTDNDPVDAJ-UHFFFAOYSA-N 2 2 345.447 1.287 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)[C@H]1CCSC1 ZINC000130426643 442346566 /nfs/dbraw/zinc/34/65/66/442346566.db2.gz LOICFZBTFDXFSZ-INIZCTEOSA-N 2 2 349.500 1.474 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)[C@H]1CCSC1 ZINC000130426643 442346568 /nfs/dbraw/zinc/34/65/68/442346568.db2.gz LOICFZBTFDXFSZ-INIZCTEOSA-N 2 2 349.500 1.474 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000130567025 442349584 /nfs/dbraw/zinc/34/95/84/442349584.db2.gz BWDYTONEQJXEJV-UHFFFAOYSA-N 2 2 344.375 1.795 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000130567025 442349588 /nfs/dbraw/zinc/34/95/88/442349588.db2.gz BWDYTONEQJXEJV-UHFFFAOYSA-N 2 2 344.375 1.795 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000131332127 442370104 /nfs/dbraw/zinc/37/01/04/442370104.db2.gz HTIQJFVRQLBQJL-HNNXBMFYSA-N 2 2 325.478 1.320 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000131332127 442370105 /nfs/dbraw/zinc/37/01/05/442370105.db2.gz HTIQJFVRQLBQJL-HNNXBMFYSA-N 2 2 325.478 1.320 20 0 EDADLP COC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000171996366 442397049 /nfs/dbraw/zinc/39/70/49/442397049.db2.gz OTBZHAYLFMMHNH-INIZCTEOSA-N 2 2 335.448 1.282 20 0 EDADLP COC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000171996366 442397051 /nfs/dbraw/zinc/39/70/51/442397051.db2.gz OTBZHAYLFMMHNH-INIZCTEOSA-N 2 2 335.448 1.282 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC1CCOCC1 ZINC000156047622 442444414 /nfs/dbraw/zinc/44/44/14/442444414.db2.gz MMHIIMXWESPIIO-UHFFFAOYSA-N 2 2 346.475 1.479 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC1CCOCC1 ZINC000156047622 442444417 /nfs/dbraw/zinc/44/44/17/442444417.db2.gz MMHIIMXWESPIIO-UHFFFAOYSA-N 2 2 346.475 1.479 20 0 EDADLP [NH3+]Cc1ccc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)o1 ZINC000178837528 442499926 /nfs/dbraw/zinc/49/99/26/442499926.db2.gz QZKVRNGPVJJMDR-UHFFFAOYSA-N 2 2 335.448 1.751 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000178740744 442471397 /nfs/dbraw/zinc/47/13/97/442471397.db2.gz DYDZYXKWJVSXND-LJQANCHMSA-N 2 2 327.472 1.914 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000178740744 442471403 /nfs/dbraw/zinc/47/14/03/442471403.db2.gz DYDZYXKWJVSXND-LJQANCHMSA-N 2 2 327.472 1.914 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156364929 442473809 /nfs/dbraw/zinc/47/38/09/442473809.db2.gz PTTQMLCUCCOBCY-ZFWWWQNUSA-N 2 2 334.420 1.405 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156364929 442473811 /nfs/dbraw/zinc/47/38/11/442473811.db2.gz PTTQMLCUCCOBCY-ZFWWWQNUSA-N 2 2 334.420 1.405 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H](CO)C(C)(C)C ZINC000134385500 442476846 /nfs/dbraw/zinc/47/68/46/442476846.db2.gz NQRUTHATEKYNRW-MRXNPFEDSA-N 2 2 337.464 1.263 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H](CO)C(C)(C)C ZINC000134385500 442476848 /nfs/dbraw/zinc/47/68/48/442476848.db2.gz NQRUTHATEKYNRW-MRXNPFEDSA-N 2 2 337.464 1.263 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180074497 442537299 /nfs/dbraw/zinc/53/72/99/442537299.db2.gz LNDMAOWPBLLNMZ-QGZVFWFLSA-N 2 2 327.476 1.936 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180074497 442537303 /nfs/dbraw/zinc/53/73/03/442537303.db2.gz LNDMAOWPBLLNMZ-QGZVFWFLSA-N 2 2 327.476 1.936 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC(=O)N1CCOCC1 ZINC000191914219 442539753 /nfs/dbraw/zinc/53/97/53/442539753.db2.gz OVGVEXMREXIHHD-UHFFFAOYSA-N 2 2 328.416 1.471 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000191914219 442539756 /nfs/dbraw/zinc/53/97/56/442539756.db2.gz OVGVEXMREXIHHD-UHFFFAOYSA-N 2 2 328.416 1.471 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000186615060 442574413 /nfs/dbraw/zinc/57/44/13/442574413.db2.gz YTOXXBWGQBCPKS-OXQOHEQNSA-N 2 2 343.471 1.670 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000186615060 442574417 /nfs/dbraw/zinc/57/44/17/442574417.db2.gz YTOXXBWGQBCPKS-OXQOHEQNSA-N 2 2 343.471 1.670 20 0 EDADLP C[C@@H](c1ccncc1)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000179136528 442580603 /nfs/dbraw/zinc/58/06/03/442580603.db2.gz QGUZHOMULBMLRT-HNNXBMFYSA-N 2 2 334.464 1.301 20 0 EDADLP C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000179136528 442580607 /nfs/dbraw/zinc/58/06/07/442580607.db2.gz QGUZHOMULBMLRT-HNNXBMFYSA-N 2 2 334.464 1.301 20 0 EDADLP FC(F)(F)c1nnc(N2CC[NH+](CCn3cc[nH+]c3)CC2)s1 ZINC000186751839 442605499 /nfs/dbraw/zinc/60/54/99/442605499.db2.gz RPGVIQCBCVCOGB-UHFFFAOYSA-N 2 2 332.355 1.576 20 0 EDADLP CC(=O)N1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000192357242 442639730 /nfs/dbraw/zinc/63/97/30/442639730.db2.gz MWEJBHRGKXYZKO-HXUWFJFHSA-N 2 2 345.487 1.878 20 0 EDADLP CC(=O)N1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000192357242 442639735 /nfs/dbraw/zinc/63/97/35/442639735.db2.gz MWEJBHRGKXYZKO-HXUWFJFHSA-N 2 2 345.487 1.878 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH+]1CCOCC1 ZINC000135939641 442642499 /nfs/dbraw/zinc/64/24/99/442642499.db2.gz SESFMCGYKKHLLT-FUHWJXTLSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000186800767 442613279 /nfs/dbraw/zinc/61/32/79/442613279.db2.gz UOZAAHYIEXGHMW-DJIMGWMZSA-N 2 2 333.501 1.891 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000186820232 442616034 /nfs/dbraw/zinc/61/60/34/442616034.db2.gz REIAEEJNBNJXEC-UHFFFAOYSA-N 2 2 330.407 1.836 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000186820232 442616038 /nfs/dbraw/zinc/61/60/38/442616038.db2.gz REIAEEJNBNJXEC-UHFFFAOYSA-N 2 2 330.407 1.836 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000179313861 442619429 /nfs/dbraw/zinc/61/94/29/442619429.db2.gz XAVNAVOGTACVDK-DOTOQJQBSA-N 2 2 338.496 1.223 20 0 EDADLP COc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000181031844 442676070 /nfs/dbraw/zinc/67/60/70/442676070.db2.gz ZFSJYCUGRUVLQI-WBVHZDCISA-N 2 2 347.459 1.279 20 0 EDADLP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000181045906 442677306 /nfs/dbraw/zinc/67/73/06/442677306.db2.gz WDXIACWGLIXNEF-WBVHZDCISA-N 2 2 349.479 1.048 20 0 EDADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181040695 442677410 /nfs/dbraw/zinc/67/74/10/442677410.db2.gz IBOAJISUEUPVOQ-MLHJIOFPSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)n1cc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000181045890 442677416 /nfs/dbraw/zinc/67/74/16/442677416.db2.gz WDXIACWGLIXNEF-DOTOQJQBSA-N 2 2 349.479 1.048 20 0 EDADLP CCCn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000180865388 442665835 /nfs/dbraw/zinc/66/58/35/442665835.db2.gz SZWIMQVSIMXKMI-UHFFFAOYSA-N 2 2 333.480 1.582 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)c1 ZINC000188164966 442718987 /nfs/dbraw/zinc/71/89/87/442718987.db2.gz HUNAVQHRFOGNPC-IBGZPJMESA-N 2 2 345.487 1.865 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)c1 ZINC000188164966 442718988 /nfs/dbraw/zinc/71/89/88/442718988.db2.gz HUNAVQHRFOGNPC-IBGZPJMESA-N 2 2 345.487 1.865 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000188170389 442719858 /nfs/dbraw/zinc/71/98/58/442719858.db2.gz SXSJVYWPBDZHMZ-UHFFFAOYSA-N 2 2 329.400 1.705 20 0 EDADLP CN(CC1CC1)C(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188298234 442735021 /nfs/dbraw/zinc/73/50/21/442735021.db2.gz KXKGNXHZWCITSA-FQEVSTJZSA-N 2 2 345.487 1.424 20 0 EDADLP CN(CC1CC1)C(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188298234 442735023 /nfs/dbraw/zinc/73/50/23/442735023.db2.gz KXKGNXHZWCITSA-FQEVSTJZSA-N 2 2 345.487 1.424 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188298234 442735026 /nfs/dbraw/zinc/73/50/26/442735026.db2.gz KXKGNXHZWCITSA-FQEVSTJZSA-N 2 2 345.487 1.424 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188298234 442735029 /nfs/dbraw/zinc/73/50/29/442735029.db2.gz KXKGNXHZWCITSA-FQEVSTJZSA-N 2 2 345.487 1.424 20 0 EDADLP C[N@H+](CC(=O)NC1CCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188328935 442740290 /nfs/dbraw/zinc/74/02/90/442740290.db2.gz RMZBHHKDDVSABY-HXUWFJFHSA-N 2 2 345.487 1.614 20 0 EDADLP C[N@@H+](CC(=O)NC1CCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188328935 442740292 /nfs/dbraw/zinc/74/02/92/442740292.db2.gz RMZBHHKDDVSABY-HXUWFJFHSA-N 2 2 345.487 1.614 20 0 EDADLP C[NH+](CC(=O)NC1CCCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188328935 442740295 /nfs/dbraw/zinc/74/02/95/442740295.db2.gz RMZBHHKDDVSABY-HXUWFJFHSA-N 2 2 345.487 1.614 20 0 EDADLP C[NH+](CC(=O)NC1CCCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188328935 442740297 /nfs/dbraw/zinc/74/02/97/442740297.db2.gz RMZBHHKDDVSABY-HXUWFJFHSA-N 2 2 345.487 1.614 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193587400 442757035 /nfs/dbraw/zinc/75/70/35/442757035.db2.gz FCCURBOORIHJMF-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1(C)C ZINC000188111179 442712968 /nfs/dbraw/zinc/71/29/68/442712968.db2.gz ZYPQMPVMGJNFOC-KSSFIOAISA-N 2 2 343.431 1.416 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)nc[nH+]1 ZINC000246497507 442786757 /nfs/dbraw/zinc/78/67/57/442786757.db2.gz SKLVSHHZLSPFBK-QKPAOTATSA-N 3 2 332.496 1.805 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@@H]3C(N)=O)c2cc1C ZINC000193736563 442776069 /nfs/dbraw/zinc/77/60/69/442776069.db2.gz OWBDRDYAUHEEBA-GDBMZVCRSA-N 2 2 330.432 1.354 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@@H]3C(N)=O)c2cc1C ZINC000193736563 442776071 /nfs/dbraw/zinc/77/60/71/442776071.db2.gz OWBDRDYAUHEEBA-GDBMZVCRSA-N 2 2 330.432 1.354 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000188649752 442779695 /nfs/dbraw/zinc/77/96/95/442779695.db2.gz FYHYACAIBBDFFM-CQSZACIVSA-N 2 2 330.432 1.180 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000188649752 442779699 /nfs/dbraw/zinc/77/96/99/442779699.db2.gz FYHYACAIBBDFFM-CQSZACIVSA-N 2 2 330.432 1.180 20 0 EDADLP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)C[NH+]1CCOCC1 ZINC000268000166 442812609 /nfs/dbraw/zinc/81/26/09/442812609.db2.gz CSZATBKBBQIWDL-CYBMUJFWSA-N 2 2 325.478 1.508 20 0 EDADLP COCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246994574 442827024 /nfs/dbraw/zinc/82/70/24/442827024.db2.gz UAWZOGOAMZRZQU-DLBZAZTESA-N 2 2 340.512 1.611 20 0 EDADLP COCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246994574 442827027 /nfs/dbraw/zinc/82/70/27/442827027.db2.gz UAWZOGOAMZRZQU-DLBZAZTESA-N 2 2 340.512 1.611 20 0 EDADLP C[NH+]1CCC(CNC(=O)Nc2ccncn2)([NH+]2CCCCC2)CC1 ZINC000194049410 442836938 /nfs/dbraw/zinc/83/69/38/442836938.db2.gz QDSINEBDYBCEMY-UHFFFAOYSA-N 2 2 332.452 1.548 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1C ZINC000194324077 442877653 /nfs/dbraw/zinc/87/76/53/442877653.db2.gz WELNJHUVGRIJNH-KRWDZBQOSA-N 2 2 347.459 1.026 20 0 EDADLP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000189421076 442948996 /nfs/dbraw/zinc/94/89/96/442948996.db2.gz IBTHGWNEMWWQMB-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000182322854 318504031 /nfs/dbraw/zinc/50/40/31/318504031.db2.gz HKZPDWDBPKSTMD-OAHLLOKOSA-N 2 2 335.473 1.887 20 0 EDADLP C[NH+]1CCC(O)(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000265836664 442939477 /nfs/dbraw/zinc/93/94/77/442939477.db2.gz FXXKHAKYCSITPR-UHFFFAOYSA-N 2 2 343.431 1.128 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000183569329 442941350 /nfs/dbraw/zinc/94/13/50/442941350.db2.gz RFXMNTUHXKQYRV-OAHLLOKOSA-N 2 2 332.448 1.332 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000249712208 443000884 /nfs/dbraw/zinc/00/08/84/443000884.db2.gz YUPXYOJSLVDYPT-AEAUEXCSSA-N 2 2 339.386 1.203 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000249712208 443000889 /nfs/dbraw/zinc/00/08/89/443000889.db2.gz YUPXYOJSLVDYPT-AEAUEXCSSA-N 2 2 339.386 1.203 20 0 EDADLP CCN1CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1=O ZINC000190205145 443071049 /nfs/dbraw/zinc/07/10/49/443071049.db2.gz QFNKLCYMOCZPDE-INIZCTEOSA-N 2 2 344.459 1.568 20 0 EDADLP CCN1CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1=O ZINC000190205145 443071053 /nfs/dbraw/zinc/07/10/53/443071053.db2.gz QFNKLCYMOCZPDE-INIZCTEOSA-N 2 2 344.459 1.568 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869545 443132257 /nfs/dbraw/zinc/13/22/57/443132257.db2.gz GALUUZNKFFFOPF-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869545 443132262 /nfs/dbraw/zinc/13/22/62/443132262.db2.gz GALUUZNKFFFOPF-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000268869545 443132264 /nfs/dbraw/zinc/13/22/64/443132264.db2.gz GALUUZNKFFFOPF-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1Cc1ccccc1 ZINC000268869545 443132267 /nfs/dbraw/zinc/13/22/67/443132267.db2.gz GALUUZNKFFFOPF-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869545 443132269 /nfs/dbraw/zinc/13/22/69/443132269.db2.gz GALUUZNKFFFOPF-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869545 443132272 /nfs/dbraw/zinc/13/22/72/443132272.db2.gz GALUUZNKFFFOPF-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000266336747 443100666 /nfs/dbraw/zinc/10/06/66/443100666.db2.gz WCIXYOYVYCWQTA-SFHVURJKSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000266336747 443100669 /nfs/dbraw/zinc/10/06/69/443100669.db2.gz WCIXYOYVYCWQTA-SFHVURJKSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000255590469 443104567 /nfs/dbraw/zinc/10/45/67/443104567.db2.gz PBOGSNOMIIZXFA-TWMKSMIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000255590469 443104570 /nfs/dbraw/zinc/10/45/70/443104570.db2.gz PBOGSNOMIIZXFA-TWMKSMIVSA-N 2 2 340.512 1.373 20 0 EDADLP COc1cccc(CN(CC[NH+](C)C)C(=O)NCCn2cc[nH+]c2)c1 ZINC000190492695 443119178 /nfs/dbraw/zinc/11/91/78/443119178.db2.gz WPSCFOLDRIMHOH-UHFFFAOYSA-N 2 2 345.447 1.665 20 0 EDADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000226049846 443121180 /nfs/dbraw/zinc/12/11/80/443121180.db2.gz SGDOQINUPRAUHV-UONOGXRCSA-N 2 2 343.265 1.873 20 0 EDADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000226049846 443121184 /nfs/dbraw/zinc/12/11/84/443121184.db2.gz SGDOQINUPRAUHV-UONOGXRCSA-N 2 2 343.265 1.873 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1nccs1 ZINC000185065101 443129368 /nfs/dbraw/zinc/12/93/68/443129368.db2.gz OHOCPWIPNXZQPW-CYBMUJFWSA-N 2 2 340.493 1.411 20 0 EDADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262049194 443181208 /nfs/dbraw/zinc/18/12/08/443181208.db2.gz UVDHDBPIGIXYBE-OAHLLOKOSA-N 2 2 345.834 1.496 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000237155477 443160945 /nfs/dbraw/zinc/16/09/45/443160945.db2.gz ZRTBKBVWGVPEKF-SJORKVTESA-N 2 2 333.476 1.591 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCO1 ZINC000269201470 443231140 /nfs/dbraw/zinc/23/11/40/443231140.db2.gz GXPRXWRUNZKQBD-PBHICJAKSA-N 2 2 328.416 1.049 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CC[NH+](C)C)nc[nH+]1 ZINC000266762359 443232857 /nfs/dbraw/zinc/23/28/57/443232857.db2.gz PIJRPUZKEGXDLX-ZIAGYGMSSA-N 2 2 349.483 1.127 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@H](C)CC[NH+](C)C)[nH+]cn1 ZINC000266762359 443232861 /nfs/dbraw/zinc/23/28/61/443232861.db2.gz PIJRPUZKEGXDLX-ZIAGYGMSSA-N 2 2 349.483 1.127 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](C)[NH3+] ZINC000399547025 319137653 /nfs/dbraw/zinc/13/76/53/319137653.db2.gz YWVCJVOZQJLGBX-NJAFHUGGSA-N 2 2 333.476 1.623 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](C)[NH3+] ZINC000399547025 319137654 /nfs/dbraw/zinc/13/76/54/319137654.db2.gz YWVCJVOZQJLGBX-NJAFHUGGSA-N 2 2 333.476 1.623 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411583290 319185541 /nfs/dbraw/zinc/18/55/41/319185541.db2.gz NSQQSFXUCWSNSB-OAHLLOKOSA-N 2 2 332.448 1.888 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411583290 319185542 /nfs/dbraw/zinc/18/55/42/319185542.db2.gz NSQQSFXUCWSNSB-OAHLLOKOSA-N 2 2 332.448 1.888 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@@H]1CCCCO1 ZINC000269254444 443252582 /nfs/dbraw/zinc/25/25/82/443252582.db2.gz OFBVHMMBOYIBND-ROUUACIJSA-N 2 2 342.443 1.487 20 0 EDADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411612598 319188616 /nfs/dbraw/zinc/18/86/16/319188616.db2.gz AHLORUVWYYZJMS-ROUUACIJSA-N 2 2 332.444 1.781 20 0 EDADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411612598 319188618 /nfs/dbraw/zinc/18/86/18/319188618.db2.gz AHLORUVWYYZJMS-ROUUACIJSA-N 2 2 332.444 1.781 20 0 EDADLP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)C(=O)OCC ZINC000411647478 319191364 /nfs/dbraw/zinc/19/13/64/319191364.db2.gz RAYPIXQJTKTOHV-CQSZACIVSA-N 2 2 327.469 1.251 20 0 EDADLP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)C(=O)OCC ZINC000411647478 319191367 /nfs/dbraw/zinc/19/13/67/319191367.db2.gz RAYPIXQJTKTOHV-CQSZACIVSA-N 2 2 327.469 1.251 20 0 EDADLP C[C@H](C(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412276990 319229546 /nfs/dbraw/zinc/22/95/46/319229546.db2.gz ZRWNBSAMYPWHOL-HPFXQQBRSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@H](C(=O)N(CC1CC1)C[C@@H]1C[NH+](C)CCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412276990 319229547 /nfs/dbraw/zinc/22/95/47/319229547.db2.gz ZRWNBSAMYPWHOL-HPFXQQBRSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@H](C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412276990 319229548 /nfs/dbraw/zinc/22/95/48/319229548.db2.gz ZRWNBSAMYPWHOL-HPFXQQBRSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@H](C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412276990 319229549 /nfs/dbraw/zinc/22/95/49/319229549.db2.gz ZRWNBSAMYPWHOL-HPFXQQBRSA-N 2 2 337.508 1.817 20 0 EDADLP COC(=O)[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[N@H+](C)C1 ZINC000413497155 319271724 /nfs/dbraw/zinc/27/17/24/319271724.db2.gz LDHUBCJQOBWMJT-CQSZACIVSA-N 2 2 333.436 1.008 20 0 EDADLP COC(=O)[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[N@@H+](C)C1 ZINC000413497155 319271726 /nfs/dbraw/zinc/27/17/26/319271726.db2.gz LDHUBCJQOBWMJT-CQSZACIVSA-N 2 2 333.436 1.008 20 0 EDADLP C[NH2+][C@H](C)C[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000414993987 319344334 /nfs/dbraw/zinc/34/43/34/319344334.db2.gz VCMIASUVAYNYLF-CQSZACIVSA-N 2 2 335.448 1.394 20 0 EDADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)C[C@H]1[NH3+] ZINC000415837374 319376737 /nfs/dbraw/zinc/37/67/37/319376737.db2.gz KOJBKWBLZXRUDY-GXFFZTMASA-N 2 2 341.415 1.195 20 0 EDADLP C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000264394921 443275858 /nfs/dbraw/zinc/27/58/58/443275858.db2.gz GMHKEXITCKJXDB-IEBWSBKVSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000264394921 443275860 /nfs/dbraw/zinc/27/58/60/443275860.db2.gz GMHKEXITCKJXDB-IEBWSBKVSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266885850 443279718 /nfs/dbraw/zinc/27/97/18/443279718.db2.gz BJTLTPRLSNLOFT-MRXNPFEDSA-N 2 2 341.459 1.589 20 0 EDADLP COc1ccc([C@@H](NC(=O)NCC[C@@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000416912605 319472870 /nfs/dbraw/zinc/47/28/70/319472870.db2.gz UOVFWALTMZWBHL-IUODEOHRSA-N 2 2 331.420 1.555 20 0 EDADLP C[C@@H]1CN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000416943620 319481124 /nfs/dbraw/zinc/48/11/24/319481124.db2.gz CMAWVKTVVZYOKT-CVEARBPZSA-N 2 2 341.459 1.866 20 0 EDADLP COC(=O)C1CC[NH+](CCCNC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000264577687 443333355 /nfs/dbraw/zinc/33/33/55/443333355.db2.gz IENFMTNSFPWAEW-UHFFFAOYSA-N 2 2 344.415 1.339 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCCOC1 ZINC000264617312 443348288 /nfs/dbraw/zinc/34/82/88/443348288.db2.gz QYIAQZXVDUQGKC-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCCOC1 ZINC000264617312 443348293 /nfs/dbraw/zinc/34/82/93/443348293.db2.gz QYIAQZXVDUQGKC-IBGZPJMESA-N 2 2 345.487 1.689 20 0 EDADLP CCC[NH+]1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000264631708 443354769 /nfs/dbraw/zinc/35/47/69/443354769.db2.gz KSBHOCAZKWEQFP-UHFFFAOYSA-N 2 2 331.420 1.761 20 0 EDADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000419964604 319608015 /nfs/dbraw/zinc/60/80/15/319608015.db2.gz IWKZNRUFURQIGA-LSDHHAIUSA-N 2 2 347.463 1.140 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420366787 319610995 /nfs/dbraw/zinc/61/09/95/319610995.db2.gz MINOPXYGRNNVEC-FDQGKXFDSA-N 2 2 333.476 1.775 20 0 EDADLP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)[nH]1 ZINC000272755191 443433475 /nfs/dbraw/zinc/43/34/75/443433475.db2.gz OOMHRUNLRSHMGE-UHFFFAOYSA-N 2 2 345.447 1.594 20 0 EDADLP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)[nH]1 ZINC000272755191 443433480 /nfs/dbraw/zinc/43/34/80/443433480.db2.gz OOMHRUNLRSHMGE-UHFFFAOYSA-N 2 2 345.447 1.594 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000264817032 443439001 /nfs/dbraw/zinc/43/90/01/443439001.db2.gz XCBGWKCELCMXIR-UHFFFAOYSA-N 2 2 345.447 1.506 20 0 EDADLP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000423218057 319756852 /nfs/dbraw/zinc/75/68/52/319756852.db2.gz RGGYPUAMXGRKTO-ZIAGYGMSSA-N 2 2 333.436 1.051 20 0 EDADLP COC[C@]1(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]C1 ZINC000423410343 319773189 /nfs/dbraw/zinc/77/31/89/319773189.db2.gz ZZTJLAQGIHBCDZ-UGSOOPFHSA-N 2 2 334.464 1.238 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423430851 319774478 /nfs/dbraw/zinc/77/44/78/319774478.db2.gz URGOQWDSTSGNRZ-HNNXBMFYSA-N 2 2 348.447 1.037 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)n1C ZINC000267651672 443527854 /nfs/dbraw/zinc/52/78/54/443527854.db2.gz WBDDYBHHAAZDJE-UHFFFAOYSA-N 2 2 331.424 1.229 20 0 EDADLP COc1ccc(C[C@@H](CO)C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1O ZINC000425343257 319832921 /nfs/dbraw/zinc/83/29/21/319832921.db2.gz CHGIJWPLCYCJET-CQSZACIVSA-N 2 2 348.447 1.141 20 0 EDADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@H]1CNC(=O)O1)CC2 ZINC000283270106 443583631 /nfs/dbraw/zinc/58/36/31/443583631.db2.gz VRBXPNDHWUQNJP-CHWSQXEVSA-N 2 2 336.461 1.538 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@H]1CNC(=O)O1)CC2 ZINC000283270106 443583632 /nfs/dbraw/zinc/58/36/32/443583632.db2.gz VRBXPNDHWUQNJP-CHWSQXEVSA-N 2 2 336.461 1.538 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)C1 ZINC000272299254 443585208 /nfs/dbraw/zinc/58/52/08/443585208.db2.gz QINYTIOFIHIZBG-RYQLBKOJSA-N 2 2 330.476 1.171 20 0 EDADLP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000283158859 443543705 /nfs/dbraw/zinc/54/37/05/443543705.db2.gz FTSZRNFAMQOPCS-INIZCTEOSA-N 2 2 349.479 1.018 20 0 EDADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NCCCn2cc[nH+]c2)C1 ZINC000283158859 443543711 /nfs/dbraw/zinc/54/37/11/443543711.db2.gz FTSZRNFAMQOPCS-INIZCTEOSA-N 2 2 349.479 1.018 20 0 EDADLP C[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000265417446 443636385 /nfs/dbraw/zinc/63/63/85/443636385.db2.gz PAYZBYNAMOHSJL-MRXNPFEDSA-N 2 2 333.476 1.734 20 0 EDADLP C[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000265417446 443636386 /nfs/dbraw/zinc/63/63/86/443636386.db2.gz PAYZBYNAMOHSJL-MRXNPFEDSA-N 2 2 333.476 1.734 20 0 EDADLP C[NH+](C)CC1(CNC(=O)NCC2([NH+]3CCOCC3)CC2)CCCC1 ZINC000429357350 319927371 /nfs/dbraw/zinc/92/73/71/319927371.db2.gz NVVKWJGJRQYLTL-UHFFFAOYSA-N 2 2 338.496 1.272 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)C[C@H]1C ZINC000265307739 443602107 /nfs/dbraw/zinc/60/21/07/443602107.db2.gz BBBZZXIXBHRJNO-OAHLLOKOSA-N 2 2 345.447 1.505 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)C[C@H]1C ZINC000265307739 443602112 /nfs/dbraw/zinc/60/21/12/443602112.db2.gz BBBZZXIXBHRJNO-OAHLLOKOSA-N 2 2 345.447 1.505 20 0 EDADLP CCc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436069615 320019080 /nfs/dbraw/zinc/01/90/80/320019080.db2.gz YSGYQAGEBICBJQ-INIZCTEOSA-N 2 2 346.475 1.507 20 0 EDADLP CCc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436069615 320019082 /nfs/dbraw/zinc/01/90/82/320019082.db2.gz YSGYQAGEBICBJQ-INIZCTEOSA-N 2 2 346.475 1.507 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000444268281 320123629 /nfs/dbraw/zinc/12/36/29/320123629.db2.gz MHSJHLGIJNOTGJ-AEFFLSMTSA-N 3 2 334.508 1.053 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000444355867 320127388 /nfs/dbraw/zinc/12/73/88/320127388.db2.gz BILRDXAIFFMIQG-AWEZNQCLSA-N 2 2 330.432 1.180 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000444355867 320127389 /nfs/dbraw/zinc/12/73/89/320127389.db2.gz BILRDXAIFFMIQG-AWEZNQCLSA-N 2 2 330.432 1.180 20 0 EDADLP CC(=O)N[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000448973833 320168274 /nfs/dbraw/zinc/16/82/74/320168274.db2.gz GFWDOHRIBOFJBF-MRXNPFEDSA-N 2 2 340.512 1.022 20 0 EDADLP CC(=O)N[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000448973833 320168277 /nfs/dbraw/zinc/16/82/77/320168277.db2.gz GFWDOHRIBOFJBF-MRXNPFEDSA-N 2 2 340.512 1.022 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449396584 320188467 /nfs/dbraw/zinc/18/84/67/320188467.db2.gz SJRHESQQYFYNOD-RHSMWYFYSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449396584 320188470 /nfs/dbraw/zinc/18/84/70/320188470.db2.gz SJRHESQQYFYNOD-RHSMWYFYSA-N 2 2 337.439 1.979 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000454599022 320290379 /nfs/dbraw/zinc/29/03/79/320290379.db2.gz HXKZLACSIKXEHW-WFASDCNBSA-N 2 2 325.482 1.701 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)[C@H](C(C)C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489330996 320359098 /nfs/dbraw/zinc/35/90/98/320359098.db2.gz PSYFCOJTJOUBBL-MHORFTMASA-N 2 2 339.524 1.919 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)[C@H](C(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489330996 320359099 /nfs/dbraw/zinc/35/90/99/320359099.db2.gz PSYFCOJTJOUBBL-MHORFTMASA-N 2 2 339.524 1.919 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489330996 320359100 /nfs/dbraw/zinc/35/91/00/320359100.db2.gz PSYFCOJTJOUBBL-MHORFTMASA-N 2 2 339.524 1.919 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000489330996 320359101 /nfs/dbraw/zinc/35/91/01/320359101.db2.gz PSYFCOJTJOUBBL-MHORFTMASA-N 2 2 339.524 1.919 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000276571159 443750325 /nfs/dbraw/zinc/75/03/25/443750325.db2.gz KLBIAPXEBVEQNT-DKRLNXSXSA-N 2 2 326.400 1.301 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280873407 443764369 /nfs/dbraw/zinc/76/43/69/443764369.db2.gz OINRFMICJVLLIR-GGPKGHCWSA-N 2 2 343.471 1.393 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280873407 443764374 /nfs/dbraw/zinc/76/43/74/443764374.db2.gz OINRFMICJVLLIR-GGPKGHCWSA-N 2 2 343.471 1.393 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000529909717 320600185 /nfs/dbraw/zinc/60/01/85/320600185.db2.gz WTBCLKWBSKYLND-OAHLLOKOSA-N 2 2 332.448 1.159 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277063793 443899308 /nfs/dbraw/zinc/89/93/08/443899308.db2.gz DIVCMRJKRYVKGU-TZMCWYRMSA-N 2 2 345.447 1.599 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277063793 443899312 /nfs/dbraw/zinc/89/93/12/443899312.db2.gz DIVCMRJKRYVKGU-TZMCWYRMSA-N 2 2 345.447 1.599 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC(=O)NCc1ccccc1 ZINC000281414280 443904823 /nfs/dbraw/zinc/90/48/23/443904823.db2.gz RGWRWFWZYHNHGO-UHFFFAOYSA-N 2 2 332.448 1.430 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC(=O)NCc1ccccc1 ZINC000281414280 443904825 /nfs/dbraw/zinc/90/48/25/443904825.db2.gz RGWRWFWZYHNHGO-UHFFFAOYSA-N 2 2 332.448 1.430 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)NCCCNc2cccc[nH+]2)CC1(C)C ZINC000281620679 443960627 /nfs/dbraw/zinc/96/06/27/443960627.db2.gz HNFVDNVMDMQCGQ-UHFFFAOYSA-N 2 2 348.495 1.209 20 0 EDADLP COCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)o1 ZINC000285379605 443962046 /nfs/dbraw/zinc/96/20/46/443962046.db2.gz CRBSJFYCJFVVGX-GOOCMWNKSA-N 2 2 335.448 1.599 20 0 EDADLP COCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)o1 ZINC000285379605 443962050 /nfs/dbraw/zinc/96/20/50/443962050.db2.gz CRBSJFYCJFVVGX-GOOCMWNKSA-N 2 2 335.448 1.599 20 0 EDADLP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)n1 ZINC000285396006 443969281 /nfs/dbraw/zinc/96/92/81/443969281.db2.gz DVIOKCIQYIMIKQ-MQVJKMGUSA-N 2 2 332.448 1.263 20 0 EDADLP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)n1 ZINC000285396006 443969284 /nfs/dbraw/zinc/96/92/84/443969284.db2.gz DVIOKCIQYIMIKQ-MQVJKMGUSA-N 2 2 332.448 1.263 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H](O)C(F)(F)F ZINC000285403740 443971033 /nfs/dbraw/zinc/97/10/33/443971033.db2.gz IOVNYTCOGCEDLI-MRXNPFEDSA-N 2 2 345.409 1.659 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)[nH+]1 ZINC000293292184 443975564 /nfs/dbraw/zinc/97/55/64/443975564.db2.gz IDIRTLURBWYJQW-SFHVURJKSA-N 2 2 330.432 1.581 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)[nH+]1 ZINC000293292184 443975566 /nfs/dbraw/zinc/97/55/66/443975566.db2.gz IDIRTLURBWYJQW-SFHVURJKSA-N 2 2 330.432 1.581 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000551986587 320918856 /nfs/dbraw/zinc/91/88/56/320918856.db2.gz NTAUZAWSWUBEBK-GFCCVEGCSA-N 2 2 341.415 1.601 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281878849 444030382 /nfs/dbraw/zinc/03/03/82/444030382.db2.gz AFHXSXVULLPJAP-KGLIPLIRSA-N 2 2 348.447 1.077 20 0 EDADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281878849 444030385 /nfs/dbraw/zinc/03/03/85/444030385.db2.gz AFHXSXVULLPJAP-KGLIPLIRSA-N 2 2 348.447 1.077 20 0 EDADLP CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000285573095 444032905 /nfs/dbraw/zinc/03/29/05/444032905.db2.gz KMEHIFDJZAKDQB-KRWDZBQOSA-N 2 2 348.472 1.728 20 0 EDADLP CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000285573095 444032906 /nfs/dbraw/zinc/03/29/06/444032906.db2.gz KMEHIFDJZAKDQB-KRWDZBQOSA-N 2 2 348.472 1.728 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000299557361 444079045 /nfs/dbraw/zinc/07/90/45/444079045.db2.gz FDRMCQWXNOPIII-UHFFFAOYSA-N 2 2 341.459 1.602 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc2c(c1)CCCC2 ZINC000561188167 321035847 /nfs/dbraw/zinc/03/58/47/321035847.db2.gz LZZGRCSQKHPIJG-KBXCAEBGSA-N 2 2 330.476 1.911 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc2c(c1)CCCC2 ZINC000561188167 321035849 /nfs/dbraw/zinc/03/58/49/321035849.db2.gz LZZGRCSQKHPIJG-KBXCAEBGSA-N 2 2 330.476 1.911 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCNS(C)(=O)=O)C2)s1 ZINC000561944762 321045271 /nfs/dbraw/zinc/04/52/71/321045271.db2.gz CKULRVPKNBDBIQ-CQSZACIVSA-N 2 2 345.534 1.359 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCNS(C)(=O)=O)C2)s1 ZINC000561944762 321045273 /nfs/dbraw/zinc/04/52/73/321045273.db2.gz CKULRVPKNBDBIQ-CQSZACIVSA-N 2 2 345.534 1.359 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCNS(C)(=O)=O)C2)s1 ZINC000561944762 321045275 /nfs/dbraw/zinc/04/52/75/321045275.db2.gz CKULRVPKNBDBIQ-CQSZACIVSA-N 2 2 345.534 1.359 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCNS(C)(=O)=O)C2)s1 ZINC000561944762 321045277 /nfs/dbraw/zinc/04/52/77/321045277.db2.gz CKULRVPKNBDBIQ-CQSZACIVSA-N 2 2 345.534 1.359 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@H]1C ZINC000564256232 321124303 /nfs/dbraw/zinc/12/43/03/321124303.db2.gz VRLFIRVDEVYBQV-FMKPAKJESA-N 2 2 327.469 1.105 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@H]1C ZINC000564256232 321124305 /nfs/dbraw/zinc/12/43/05/321124305.db2.gz VRLFIRVDEVYBQV-FMKPAKJESA-N 2 2 327.469 1.105 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@H]1C ZINC000564256232 321124307 /nfs/dbraw/zinc/12/43/07/321124307.db2.gz VRLFIRVDEVYBQV-FMKPAKJESA-N 2 2 327.469 1.105 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N[C@H](C(=O)OC)C(C)C)C[C@H]1C ZINC000564256232 321124309 /nfs/dbraw/zinc/12/43/09/321124309.db2.gz VRLFIRVDEVYBQV-FMKPAKJESA-N 2 2 327.469 1.105 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000564457344 321133365 /nfs/dbraw/zinc/13/33/65/321133365.db2.gz UXGBONGEVKXTRO-QAPCUYQASA-N 2 2 328.416 1.232 20 0 EDADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000564773680 321146665 /nfs/dbraw/zinc/14/66/65/321146665.db2.gz FAKYIODJPSQGEK-VYDXJSESSA-N 2 2 333.480 1.376 20 0 EDADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000564773680 321146668 /nfs/dbraw/zinc/14/66/68/321146668.db2.gz FAKYIODJPSQGEK-VYDXJSESSA-N 2 2 333.480 1.376 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2Cl)CC12CCOCC2 ZINC000564988453 321163046 /nfs/dbraw/zinc/16/30/46/321163046.db2.gz HTYSEYNUZDDDGI-CYBMUJFWSA-N 2 2 337.851 1.966 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2Cl)CC12CCOCC2 ZINC000564988453 321163048 /nfs/dbraw/zinc/16/30/48/321163048.db2.gz HTYSEYNUZDDDGI-CYBMUJFWSA-N 2 2 337.851 1.966 20 0 EDADLP CCc1cc(N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c2ccccc2[nH+]1 ZINC000282133406 444094301 /nfs/dbraw/zinc/09/43/01/444094301.db2.gz ADCNKJYZEZCWKT-OAHLLOKOSA-N 2 2 342.443 1.420 20 0 EDADLP CCc1cc(N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c2ccccc2[nH+]1 ZINC000282133406 444094306 /nfs/dbraw/zinc/09/43/06/444094306.db2.gz ADCNKJYZEZCWKT-OAHLLOKOSA-N 2 2 342.443 1.420 20 0 EDADLP CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566200563 321222124 /nfs/dbraw/zinc/22/21/24/321222124.db2.gz SPDFCSQTEVHPMF-KBPBESRZSA-N 2 2 344.463 1.426 20 0 EDADLP CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566200563 321222125 /nfs/dbraw/zinc/22/21/25/321222125.db2.gz SPDFCSQTEVHPMF-KBPBESRZSA-N 2 2 344.463 1.426 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CC[NH2+][C@@H]3C)CCCC2)no1 ZINC000566285999 321225285 /nfs/dbraw/zinc/22/52/85/321225285.db2.gz AFPKDFWNONBPQH-KGLIPLIRSA-N 2 2 349.479 1.795 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000566417101 321229428 /nfs/dbraw/zinc/22/94/28/321229428.db2.gz RZKGNRUUBUUERG-DZKLMBRESA-N 2 2 328.478 1.014 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000566417101 321229429 /nfs/dbraw/zinc/22/94/29/321229429.db2.gz RZKGNRUUBUUERG-DZKLMBRESA-N 2 2 328.478 1.014 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)COC1CCC([NH3+])CC1 ZINC000568623885 321299572 /nfs/dbraw/zinc/29/95/72/321299572.db2.gz XXXCDSJSCPDGFB-UHFFFAOYSA-N 2 2 330.432 1.747 20 0 EDADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 ZINC000569495722 321328510 /nfs/dbraw/zinc/32/85/10/321328510.db2.gz LAUGLOZMUPLDEP-IAGOWNOFSA-N 2 2 329.444 1.288 20 0 EDADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CCc3ccccc3)C2=O)C1 ZINC000569495722 321328512 /nfs/dbraw/zinc/32/85/12/321328512.db2.gz LAUGLOZMUPLDEP-IAGOWNOFSA-N 2 2 329.444 1.288 20 0 EDADLP O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000569861759 321330589 /nfs/dbraw/zinc/33/05/89/321330589.db2.gz CTPHKBNELNKNAW-INIZCTEOSA-N 2 2 339.443 1.694 20 0 EDADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289368374 444120224 /nfs/dbraw/zinc/12/02/24/444120224.db2.gz OVYSPPFIWNMBQK-HUUCEWRRSA-N 2 2 332.448 1.612 20 0 EDADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289368374 444120227 /nfs/dbraw/zinc/12/02/27/444120227.db2.gz OVYSPPFIWNMBQK-HUUCEWRRSA-N 2 2 332.448 1.612 20 0 EDADLP C[C@@H]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C[NH3+] ZINC000571325732 321382545 /nfs/dbraw/zinc/38/25/45/321382545.db2.gz XFBVEYSLHSGIGO-GDBMZVCRSA-N 2 2 333.480 1.075 20 0 EDADLP [NH3+][C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1c(F)cccc1F ZINC000571441174 321386958 /nfs/dbraw/zinc/38/69/58/321386958.db2.gz GXHIUOUBOITOAZ-BMFZPTHFSA-N 2 2 339.386 1.319 20 0 EDADLP Cc1ccccc1C(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000289339913 444111801 /nfs/dbraw/zinc/11/18/01/444111801.db2.gz JBLBNILCNHBBPO-SFHVURJKSA-N 2 2 345.487 1.644 20 0 EDADLP Cc1ccccc1C(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000289339913 444111805 /nfs/dbraw/zinc/11/18/05/444111805.db2.gz JBLBNILCNHBBPO-SFHVURJKSA-N 2 2 345.487 1.644 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000285854387 444129609 /nfs/dbraw/zinc/12/96/09/444129609.db2.gz XYYVIBIPNWWWPY-NVXWUHKLSA-N 2 2 347.459 1.279 20 0 EDADLP CC(C)[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)[NH+]1CCOCC1 ZINC000301273332 444160302 /nfs/dbraw/zinc/16/03/02/444160302.db2.gz HXRGUMIEYUMGES-OAHLLOKOSA-N 2 2 335.452 1.082 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000294958111 444161744 /nfs/dbraw/zinc/16/17/44/444161744.db2.gz FSIPZAHPNIAFBC-MSOLQXFVSA-N 2 2 332.492 1.383 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000294958111 444161748 /nfs/dbraw/zinc/16/17/48/444161748.db2.gz FSIPZAHPNIAFBC-MSOLQXFVSA-N 2 2 332.492 1.383 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)OCC(=O)N2 ZINC000285960572 444163234 /nfs/dbraw/zinc/16/32/34/444163234.db2.gz GPHWPZSVKWNXLF-DOMZBBRYSA-N 2 2 346.431 1.008 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)OCC(=O)N2 ZINC000285960572 444163236 /nfs/dbraw/zinc/16/32/36/444163236.db2.gz GPHWPZSVKWNXLF-DOMZBBRYSA-N 2 2 346.431 1.008 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000289393101 444128236 /nfs/dbraw/zinc/12/82/36/444128236.db2.gz REQPYKWDMURFQD-NWDGAFQWSA-N 2 2 333.354 1.914 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000289393101 444128239 /nfs/dbraw/zinc/12/82/39/444128239.db2.gz REQPYKWDMURFQD-NWDGAFQWSA-N 2 2 333.354 1.914 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000289600082 444179331 /nfs/dbraw/zinc/17/93/31/444179331.db2.gz BOMHMBLZKGPITH-QYZOEREBSA-N 2 2 345.487 1.638 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000289600082 444179333 /nfs/dbraw/zinc/17/93/33/444179333.db2.gz BOMHMBLZKGPITH-QYZOEREBSA-N 2 2 345.487 1.638 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301570823 444179776 /nfs/dbraw/zinc/17/97/76/444179776.db2.gz WVPDLXITJFBHGK-HZPDHXFCSA-N 2 2 333.480 1.463 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000301570823 444179778 /nfs/dbraw/zinc/17/97/78/444179778.db2.gz WVPDLXITJFBHGK-HZPDHXFCSA-N 2 2 333.480 1.463 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000301570823 444179781 /nfs/dbraw/zinc/17/97/81/444179781.db2.gz WVPDLXITJFBHGK-HZPDHXFCSA-N 2 2 333.480 1.463 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C1 ZINC000301570823 444179784 /nfs/dbraw/zinc/17/97/84/444179784.db2.gz WVPDLXITJFBHGK-HZPDHXFCSA-N 2 2 333.480 1.463 20 0 EDADLP CC[N@H+](Cc1ccncc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289789150 444203632 /nfs/dbraw/zinc/20/36/32/444203632.db2.gz LUMOEKJBMTUWLC-UHFFFAOYSA-N 2 2 326.448 1.646 20 0 EDADLP CC[N@@H+](Cc1ccncc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289789150 444203633 /nfs/dbraw/zinc/20/36/33/444203633.db2.gz LUMOEKJBMTUWLC-UHFFFAOYSA-N 2 2 326.448 1.646 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1 ZINC000304325927 444247030 /nfs/dbraw/zinc/24/70/30/444247030.db2.gz SMGIDTUSTYBRQD-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1 ZINC000304325927 444247031 /nfs/dbraw/zinc/24/70/31/444247031.db2.gz SMGIDTUSTYBRQD-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000304325927 444247032 /nfs/dbraw/zinc/24/70/32/444247032.db2.gz SMGIDTUSTYBRQD-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000304325927 444247033 /nfs/dbraw/zinc/24/70/33/444247033.db2.gz SMGIDTUSTYBRQD-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000304325927 444247034 /nfs/dbraw/zinc/24/70/34/444247034.db2.gz SMGIDTUSTYBRQD-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000304325927 444247035 /nfs/dbraw/zinc/24/70/35/444247035.db2.gz SMGIDTUSTYBRQD-VQTJNVASSA-N 2 2 347.503 1.276 20 0 EDADLP CC[NH+](CC)[C@@H]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302901772 444230578 /nfs/dbraw/zinc/23/05/78/444230578.db2.gz QSRGYGXBVPVWQD-CVEARBPZSA-N 2 2 333.480 1.748 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)CC[C@@H]21 ZINC000302917492 444231994 /nfs/dbraw/zinc/23/19/94/444231994.db2.gz WZQJDPXKTNTJMQ-IKGGRYGDSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)CC[C@@H]21 ZINC000302917492 444231997 /nfs/dbraw/zinc/23/19/97/444231997.db2.gz WZQJDPXKTNTJMQ-IKGGRYGDSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)nc[nH+]3)CC[C@@H]21 ZINC000302917492 444231998 /nfs/dbraw/zinc/23/19/98/444231998.db2.gz WZQJDPXKTNTJMQ-IKGGRYGDSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)nc[nH+]3)CC[C@@H]21 ZINC000302917492 444232001 /nfs/dbraw/zinc/23/20/01/444232001.db2.gz WZQJDPXKTNTJMQ-IKGGRYGDSA-N 2 2 345.491 1.748 20 0 EDADLP CC(=O)NC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000303365918 444236582 /nfs/dbraw/zinc/23/65/82/444236582.db2.gz GVFGRWYTKPAUIK-MOPGFXCFSA-N 2 2 333.476 1.327 20 0 EDADLP CC(=O)NC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000303365918 444236583 /nfs/dbraw/zinc/23/65/83/444236583.db2.gz GVFGRWYTKPAUIK-MOPGFXCFSA-N 2 2 333.476 1.327 20 0 EDADLP CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000303365918 444236584 /nfs/dbraw/zinc/23/65/84/444236584.db2.gz GVFGRWYTKPAUIK-MOPGFXCFSA-N 2 2 333.476 1.327 20 0 EDADLP CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000303365918 444236585 /nfs/dbraw/zinc/23/65/85/444236585.db2.gz GVFGRWYTKPAUIK-MOPGFXCFSA-N 2 2 333.476 1.327 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000290085870 444240260 /nfs/dbraw/zinc/24/02/60/444240260.db2.gz JDNBLESHGUOKDY-FHWLQOOXSA-N 2 2 345.487 1.434 20 0 EDADLP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]1CO ZINC000305697004 444272851 /nfs/dbraw/zinc/27/28/51/444272851.db2.gz ALPXXESHWVYJDO-RDJZCZTQSA-N 2 2 335.448 1.017 20 0 EDADLP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H]1CO ZINC000305697004 444272852 /nfs/dbraw/zinc/27/28/52/444272852.db2.gz ALPXXESHWVYJDO-RDJZCZTQSA-N 2 2 335.448 1.017 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000297700791 444320612 /nfs/dbraw/zinc/32/06/12/444320612.db2.gz AUDUITWKXHUYOH-KGLIPLIRSA-N 2 2 327.388 1.016 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000297700791 444320615 /nfs/dbraw/zinc/32/06/15/444320615.db2.gz AUDUITWKXHUYOH-KGLIPLIRSA-N 2 2 327.388 1.016 20 0 EDADLP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000297714880 444323087 /nfs/dbraw/zinc/32/30/87/444323087.db2.gz YVVGHVIXQJQWIW-QGZVFWFLSA-N 2 2 343.431 1.341 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc2[nH+]1 ZINC000290389641 444274973 /nfs/dbraw/zinc/27/49/73/444274973.db2.gz ROEOIRCBSOOYMG-GFCCVEGCSA-N 2 2 331.420 1.426 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc2[nH+]1 ZINC000290389641 444274976 /nfs/dbraw/zinc/27/49/76/444274976.db2.gz ROEOIRCBSOOYMG-GFCCVEGCSA-N 2 2 331.420 1.426 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+](Cc3cccnc3)C3CC3)cn2)CC1 ZINC000290425231 444279374 /nfs/dbraw/zinc/27/93/74/444279374.db2.gz KZVQWMLEYQEQED-UHFFFAOYSA-N 2 2 338.459 1.788 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3cccnc3)C3CC3)cn2)CC1 ZINC000290425231 444279377 /nfs/dbraw/zinc/27/93/77/444279377.db2.gz KZVQWMLEYQEQED-UHFFFAOYSA-N 2 2 338.459 1.788 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310023493 444290811 /nfs/dbraw/zinc/29/08/11/444290811.db2.gz QQOVNLNCGYMCLK-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000310023493 444290812 /nfs/dbraw/zinc/29/08/12/444290812.db2.gz QQOVNLNCGYMCLK-HZPDHXFCSA-N 2 2 340.512 1.469 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@H]1CCSC1 ZINC000339976313 444346559 /nfs/dbraw/zinc/34/65/59/444346559.db2.gz HOQUKJHHIAHLMM-IRXDYDNUSA-N 2 2 333.501 1.939 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@H]1CCSC1 ZINC000339976313 444346570 /nfs/dbraw/zinc/34/65/70/444346570.db2.gz HOQUKJHHIAHLMM-IRXDYDNUSA-N 2 2 333.501 1.939 20 0 EDADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCSC1 ZINC000339976313 444346573 /nfs/dbraw/zinc/34/65/73/444346573.db2.gz HOQUKJHHIAHLMM-IRXDYDNUSA-N 2 2 333.501 1.939 20 0 EDADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCSC1 ZINC000339976313 444346578 /nfs/dbraw/zinc/34/65/78/444346578.db2.gz HOQUKJHHIAHLMM-IRXDYDNUSA-N 2 2 333.501 1.939 20 0 EDADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000337697685 444359377 /nfs/dbraw/zinc/35/93/77/444359377.db2.gz ZGDNSVKCWBUYFJ-ROUUACIJSA-N 2 2 337.508 1.961 20 0 EDADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000337697685 444359380 /nfs/dbraw/zinc/35/93/80/444359380.db2.gz ZGDNSVKCWBUYFJ-ROUUACIJSA-N 2 2 337.508 1.961 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)Cn3cc[nH+]c3)CCCCCC2)no1 ZINC000578385159 321767069 /nfs/dbraw/zinc/76/70/69/321767069.db2.gz KPOSWTRIIVZVTQ-UHFFFAOYSA-N 2 2 346.435 1.694 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000321585696 444336595 /nfs/dbraw/zinc/33/65/95/444336595.db2.gz JTKDQLMGRMFBQF-GOEBONIOSA-N 2 2 330.457 1.721 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337767938 444396581 /nfs/dbraw/zinc/39/65/81/444396581.db2.gz UFLIROUZEIGPCE-VQIMIIECSA-N 2 2 333.476 1.941 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337767938 444396586 /nfs/dbraw/zinc/39/65/86/444396586.db2.gz UFLIROUZEIGPCE-VQIMIIECSA-N 2 2 333.476 1.941 20 0 EDADLP CCCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CC[NH2+]C1 ZINC000579351124 321924150 /nfs/dbraw/zinc/92/41/50/321924150.db2.gz BQMUAQQLAHIWAE-INIZCTEOSA-N 2 2 333.480 1.233 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)[C@@H](C)C1 ZINC000337949215 444467907 /nfs/dbraw/zinc/46/79/07/444467907.db2.gz GBWTYHSWESLCCA-JZXOWHBKSA-N 2 2 331.460 1.596 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)[C@@H](C)C1 ZINC000337949215 444467910 /nfs/dbraw/zinc/46/79/10/444467910.db2.gz GBWTYHSWESLCCA-JZXOWHBKSA-N 2 2 331.460 1.596 20 0 EDADLP COCC1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000337840672 444432662 /nfs/dbraw/zinc/43/26/62/444432662.db2.gz GCLQOWVQBXDODZ-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP COCC1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000337840672 444432665 /nfs/dbraw/zinc/43/26/65/444432665.db2.gz GCLQOWVQBXDODZ-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000337846526 444434869 /nfs/dbraw/zinc/43/48/69/444434869.db2.gz HOJUWXJLSFQKNG-DOTOQJQBSA-N 2 2 334.443 1.551 20 0 EDADLP Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000337846526 444434870 /nfs/dbraw/zinc/43/48/70/444434870.db2.gz HOJUWXJLSFQKNG-DOTOQJQBSA-N 2 2 334.443 1.551 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000579824786 321974060 /nfs/dbraw/zinc/97/40/60/321974060.db2.gz VGAKRLAMOSGDLX-HZPDHXFCSA-N 2 2 330.432 1.224 20 0 EDADLP C[C@H](c1cccc(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000331782462 444487602 /nfs/dbraw/zinc/48/76/02/444487602.db2.gz LQFFIDIAHULBBS-CPUCHLNUSA-N 2 2 332.448 1.891 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)c1cc[nH+]cc1C(N)=O ZINC000580056507 322002770 /nfs/dbraw/zinc/00/27/70/322002770.db2.gz LPJZFSBJQICUQB-ROUUACIJSA-N 2 2 340.427 1.689 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)c1cc[nH+]cc1C(N)=O ZINC000580056507 322002771 /nfs/dbraw/zinc/00/27/71/322002771.db2.gz LPJZFSBJQICUQB-ROUUACIJSA-N 2 2 340.427 1.689 20 0 EDADLP COCCC1(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CCCC1 ZINC000580543528 322063894 /nfs/dbraw/zinc/06/38/94/322063894.db2.gz GSGCSJPBNOXGKG-ZACQAIPSSA-N 2 2 328.497 1.643 20 0 EDADLP COCC1(CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000580557357 322067063 /nfs/dbraw/zinc/06/70/63/322067063.db2.gz BOIQRBNSAFLMCY-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP COCC1(CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000580557357 322067066 /nfs/dbraw/zinc/06/70/66/322067066.db2.gz BOIQRBNSAFLMCY-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@H](NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000580764822 322092292 /nfs/dbraw/zinc/09/22/92/322092292.db2.gz OHLMJQUIGJELHV-HNAYVOBHSA-N 2 2 345.487 1.792 20 0 EDADLP C[C@H](NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000580764822 322092294 /nfs/dbraw/zinc/09/22/94/322092294.db2.gz OHLMJQUIGJELHV-HNAYVOBHSA-N 2 2 345.487 1.792 20 0 EDADLP CC(C)(C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1c[nH+]c[nH]1 ZINC000581048481 322128068 /nfs/dbraw/zinc/12/80/68/322128068.db2.gz PETPPMBMFOMTRZ-HNNXBMFYSA-N 2 2 328.416 1.893 20 0 EDADLP CC(C)(C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1c[nH+]c[nH]1 ZINC000581048481 322128070 /nfs/dbraw/zinc/12/80/70/322128070.db2.gz PETPPMBMFOMTRZ-HNNXBMFYSA-N 2 2 328.416 1.893 20 0 EDADLP CC(C)(C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1c[nH]c[nH+]1 ZINC000581048481 322128072 /nfs/dbraw/zinc/12/80/72/322128072.db2.gz PETPPMBMFOMTRZ-HNNXBMFYSA-N 2 2 328.416 1.893 20 0 EDADLP CC(C)(C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1c[nH]c[nH+]1 ZINC000581048481 322128074 /nfs/dbraw/zinc/12/80/74/322128074.db2.gz PETPPMBMFOMTRZ-HNNXBMFYSA-N 2 2 328.416 1.893 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000581375236 322170856 /nfs/dbraw/zinc/17/08/56/322170856.db2.gz UTVVHKIJYMIQDT-SUMWQHHRSA-N 2 2 327.419 1.614 20 0 EDADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000581375236 322170859 /nfs/dbraw/zinc/17/08/59/322170859.db2.gz UTVVHKIJYMIQDT-SUMWQHHRSA-N 2 2 327.419 1.614 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000581432495 322177584 /nfs/dbraw/zinc/17/75/84/322177584.db2.gz ZNPCUMKSZAJSGZ-MRXNPFEDSA-N 2 2 341.459 1.218 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000581432495 322177586 /nfs/dbraw/zinc/17/75/86/322177586.db2.gz ZNPCUMKSZAJSGZ-MRXNPFEDSA-N 2 2 341.459 1.218 20 0 EDADLP C[C@H](C(=O)NCCC[NH2+]C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000581669103 322207121 /nfs/dbraw/zinc/20/71/21/322207121.db2.gz DIEKQFIRMVJKOT-OAHLLOKOSA-N 2 2 348.466 1.595 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000329391348 444561025 /nfs/dbraw/zinc/56/10/25/444561025.db2.gz VJVTVLJSQMUKRG-MRXNPFEDSA-N 2 2 332.448 1.016 20 0 EDADLP COCc1nc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cs1 ZINC000343725553 444547992 /nfs/dbraw/zinc/54/79/92/444547992.db2.gz GBCYFRQMMJHSKU-CQSZACIVSA-N 2 2 338.521 1.890 20 0 EDADLP COCc1nc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cs1 ZINC000343725553 444547997 /nfs/dbraw/zinc/54/79/97/444547997.db2.gz GBCYFRQMMJHSKU-CQSZACIVSA-N 2 2 338.521 1.890 20 0 EDADLP CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000342383406 444667398 /nfs/dbraw/zinc/66/73/98/444667398.db2.gz XBGQVWZNWRKNEK-CABCVRRESA-N 2 2 345.447 1.017 20 0 EDADLP CNC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000342383406 444667404 /nfs/dbraw/zinc/66/74/04/444667404.db2.gz XBGQVWZNWRKNEK-CABCVRRESA-N 2 2 345.447 1.017 20 0 EDADLP Cn1ncc2c1nc(N1CC[C@@H](n3c[nH+]c4c3CCCC4)C1)[nH+]c2N ZINC000333103005 444638409 /nfs/dbraw/zinc/63/84/09/444638409.db2.gz VSOVZRWBWSEZMG-LLVKDONJSA-N 2 2 338.419 1.472 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333880777 444707716 /nfs/dbraw/zinc/70/77/16/444707716.db2.gz WDJBXRRJFAQKGL-OIPACUDHSA-N 2 2 339.443 1.737 20 0 EDADLP COc1cc(C)[nH+]c(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000343987146 444711061 /nfs/dbraw/zinc/71/10/61/444711061.db2.gz SCDAJEIEJYHVOP-KXBFYZLASA-N 2 2 332.492 1.856 20 0 EDADLP COc1cc(C)nc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000343987146 444711065 /nfs/dbraw/zinc/71/10/65/444711065.db2.gz SCDAJEIEJYHVOP-KXBFYZLASA-N 2 2 332.492 1.856 20 0 EDADLP COc1cc(C)nc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000343987146 444711069 /nfs/dbraw/zinc/71/10/69/444711069.db2.gz SCDAJEIEJYHVOP-KXBFYZLASA-N 2 2 332.492 1.856 20 0 EDADLP CC[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000342493805 444715335 /nfs/dbraw/zinc/71/53/35/444715335.db2.gz LNOWPZOIYLGUTR-MPBYHJMHSA-N 2 2 337.508 1.959 20 0 EDADLP CC[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCO[C@@H](CC)C1 ZINC000342493805 444715343 /nfs/dbraw/zinc/71/53/43/444715343.db2.gz LNOWPZOIYLGUTR-MPBYHJMHSA-N 2 2 337.508 1.959 20 0 EDADLP CC[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCO[C@@H](CC)C1 ZINC000342493805 444715348 /nfs/dbraw/zinc/71/53/48/444715348.db2.gz LNOWPZOIYLGUTR-MPBYHJMHSA-N 2 2 337.508 1.959 20 0 EDADLP CC[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCO[C@@H](CC)C1 ZINC000342493805 444715352 /nfs/dbraw/zinc/71/53/52/444715352.db2.gz LNOWPZOIYLGUTR-MPBYHJMHSA-N 2 2 337.508 1.959 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343995471 444715906 /nfs/dbraw/zinc/71/59/06/444715906.db2.gz YUYYZBRMHGECJH-KZNAEPCWSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343995471 444715907 /nfs/dbraw/zinc/71/59/07/444715907.db2.gz YUYYZBRMHGECJH-KZNAEPCWSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCOCC1 ZINC000338425281 444687254 /nfs/dbraw/zinc/68/72/54/444687254.db2.gz JLYJACYACYFGKO-ZWKOTPCHSA-N 2 2 337.508 1.678 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC000341234492 444741886 /nfs/dbraw/zinc/74/18/86/444741886.db2.gz BCRJWMKUZIRLMX-ZWKOTPCHSA-N 2 2 346.475 1.363 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1 ZINC000341234492 444741887 /nfs/dbraw/zinc/74/18/87/444741887.db2.gz BCRJWMKUZIRLMX-ZWKOTPCHSA-N 2 2 346.475 1.363 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)n1-c1ccccc1 ZINC000341258100 444751587 /nfs/dbraw/zinc/75/15/87/444751587.db2.gz VPBPTZQDYZSKMK-UHFFFAOYSA-N 2 2 349.456 1.210 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c2[nH+]ccn21 ZINC000334064079 444767317 /nfs/dbraw/zinc/76/73/17/444767317.db2.gz CKUNJDMRIHAXSW-MGPQQGTHSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c2[nH+]ccn21 ZINC000334064079 444767319 /nfs/dbraw/zinc/76/73/19/444767319.db2.gz CKUNJDMRIHAXSW-MGPQQGTHSA-N 2 2 335.452 1.376 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793780 444796959 /nfs/dbraw/zinc/79/69/59/444796959.db2.gz YIMXZNZKLJHVOS-DYXWJJEUSA-N 3 2 343.515 1.895 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793780 444796964 /nfs/dbraw/zinc/79/69/64/444796964.db2.gz YIMXZNZKLJHVOS-DYXWJJEUSA-N 3 2 343.515 1.895 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793780 444796968 /nfs/dbraw/zinc/79/69/68/444796968.db2.gz YIMXZNZKLJHVOS-DYXWJJEUSA-N 3 2 343.515 1.895 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793780 444796972 /nfs/dbraw/zinc/79/69/72/444796972.db2.gz YIMXZNZKLJHVOS-DYXWJJEUSA-N 3 2 343.515 1.895 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ncnn1CC(C)C ZINC000344142710 444804497 /nfs/dbraw/zinc/80/44/97/444804497.db2.gz LXBPBFXHQGZXTO-UHFFFAOYSA-N 2 2 336.528 1.784 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ncnn1CC(C)C ZINC000344142710 444804503 /nfs/dbraw/zinc/80/45/03/444804503.db2.gz LXBPBFXHQGZXTO-UHFFFAOYSA-N 2 2 336.528 1.784 20 0 EDADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1C ZINC000341399047 444810920 /nfs/dbraw/zinc/81/09/20/444810920.db2.gz UOSQOTBXNUDMRL-SFHVURJKSA-N 2 2 328.460 1.975 20 0 EDADLP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)n1C ZINC000341399047 444810924 /nfs/dbraw/zinc/81/09/24/444810924.db2.gz UOSQOTBXNUDMRL-SFHVURJKSA-N 2 2 328.460 1.975 20 0 EDADLP Cc1c[nH+]c(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1C ZINC000341399047 444810926 /nfs/dbraw/zinc/81/09/26/444810926.db2.gz UOSQOTBXNUDMRL-SFHVURJKSA-N 2 2 328.460 1.975 20 0 EDADLP Cc1c[nH+]c(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1C ZINC000341399047 444810928 /nfs/dbraw/zinc/81/09/28/444810928.db2.gz UOSQOTBXNUDMRL-SFHVURJKSA-N 2 2 328.460 1.975 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[NH2+]CC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000342716174 444830900 /nfs/dbraw/zinc/83/09/00/444830900.db2.gz UXPAYIKWNZRAJD-KGLIPLIRSA-N 2 2 345.434 1.381 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@H](CO)OC(C)(C)C3)c2cc1C ZINC000336895789 444839616 /nfs/dbraw/zinc/83/96/16/444839616.db2.gz ZNXYFOWKEPUPFT-JKSUJKDBSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@H](CO)OC(C)(C)C3)c2cc1C ZINC000336895789 444839621 /nfs/dbraw/zinc/83/96/21/444839621.db2.gz ZNXYFOWKEPUPFT-JKSUJKDBSA-N 2 2 347.459 1.486 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000344230688 444852693 /nfs/dbraw/zinc/85/26/93/444852693.db2.gz DOYBHTHLOXZOOW-LZLYRXPVSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000344230688 444852698 /nfs/dbraw/zinc/85/26/98/444852698.db2.gz DOYBHTHLOXZOOW-LZLYRXPVSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000341433289 444828426 /nfs/dbraw/zinc/82/84/26/444828426.db2.gz PHFVAANNHOLFGN-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000341433289 444828429 /nfs/dbraw/zinc/82/84/29/444828429.db2.gz PHFVAANNHOLFGN-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[NH+]1CCOCC1 ZINC000341706386 444960505 /nfs/dbraw/zinc/96/05/05/444960505.db2.gz LCLFFJQXGFSJGA-GOEBONIOSA-N 2 2 341.521 1.041 20 0 EDADLP NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2C1 ZINC000341665165 444939131 /nfs/dbraw/zinc/93/91/31/444939131.db2.gz YHYUPSPEVLKSKM-UHFFFAOYSA-N 2 2 349.394 1.430 20 0 EDADLP NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2C1 ZINC000341665165 444939135 /nfs/dbraw/zinc/93/91/35/444939135.db2.gz YHYUPSPEVLKSKM-UHFFFAOYSA-N 2 2 349.394 1.430 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000341801102 445007763 /nfs/dbraw/zinc/00/77/63/445007763.db2.gz NKBKZEZVVZQKHT-UHFFFAOYSA-N 2 2 335.452 1.207 20 0 EDADLP CN(c1ccccc1C[N@@H+]1C[C@H](F)C[C@@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000344498145 445012771 /nfs/dbraw/zinc/01/27/71/445012771.db2.gz OMUQKNQVFXOETQ-CRAIPNDOSA-N 2 2 348.466 1.615 20 0 EDADLP CN(c1ccccc1C[N@H+]1C[C@H](F)C[C@@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000344498145 445012775 /nfs/dbraw/zinc/01/27/75/445012775.db2.gz OMUQKNQVFXOETQ-CRAIPNDOSA-N 2 2 348.466 1.615 20 0 EDADLP CNC(=O)[C@@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000341868854 445043668 /nfs/dbraw/zinc/04/36/68/445043668.db2.gz NZGWBLAYEOFRTG-YOEHRIQHSA-N 2 2 332.448 1.374 20 0 EDADLP CC[C@H](C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)[NH+](CC)CC ZINC000342031053 445133513 /nfs/dbraw/zinc/13/35/13/445133513.db2.gz GDSUOBLSQHINDF-LSDHHAIUSA-N 2 2 327.469 1.203 20 0 EDADLP CC[C@H](C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)[NH+](CC)CC ZINC000342031053 445133519 /nfs/dbraw/zinc/13/35/19/445133519.db2.gz GDSUOBLSQHINDF-LSDHHAIUSA-N 2 2 327.469 1.203 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339434073 445140855 /nfs/dbraw/zinc/14/08/55/445140855.db2.gz OZXIKEBAPQSYJM-HXUWFJFHSA-N 2 2 345.487 1.908 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000339434073 445140859 /nfs/dbraw/zinc/14/08/59/445140859.db2.gz OZXIKEBAPQSYJM-HXUWFJFHSA-N 2 2 345.487 1.908 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339434073 445140863 /nfs/dbraw/zinc/14/08/63/445140863.db2.gz OZXIKEBAPQSYJM-HXUWFJFHSA-N 2 2 345.487 1.908 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339434073 445140866 /nfs/dbraw/zinc/14/08/66/445140866.db2.gz OZXIKEBAPQSYJM-HXUWFJFHSA-N 2 2 345.487 1.908 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342109336 445176613 /nfs/dbraw/zinc/17/66/13/445176613.db2.gz RMBRSGSKQYLSRN-NWANDNLSSA-N 2 2 333.432 1.702 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342109336 445176617 /nfs/dbraw/zinc/17/66/17/445176617.db2.gz RMBRSGSKQYLSRN-NWANDNLSSA-N 2 2 333.432 1.702 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000337597145 445158298 /nfs/dbraw/zinc/15/82/98/445158298.db2.gz BNCRSUMYUSSBNP-QFBILLFUSA-N 2 2 345.487 1.690 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000343245776 445158746 /nfs/dbraw/zinc/15/87/46/445158746.db2.gz CMWSIEXQTNHCOP-HZPDHXFCSA-N 2 2 331.464 1.766 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C(C)C)nn3)cn2)CC1 ZINC000342080875 445161516 /nfs/dbraw/zinc/16/15/16/445161516.db2.gz IFYCWHWRDAMDGJ-UHFFFAOYSA-N 2 2 343.479 1.686 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000346473633 445216338 /nfs/dbraw/zinc/21/63/38/445216338.db2.gz RFSCEYJQMLDWMV-LBPRGKRZSA-N 2 2 343.387 1.409 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000346473633 445216339 /nfs/dbraw/zinc/21/63/39/445216339.db2.gz RFSCEYJQMLDWMV-LBPRGKRZSA-N 2 2 343.387 1.409 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000345698048 445196800 /nfs/dbraw/zinc/19/68/00/445196800.db2.gz RSJMFJZDAOXUBJ-NVXWUHKLSA-N 2 2 331.460 1.900 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000345698048 445196803 /nfs/dbraw/zinc/19/68/03/445196803.db2.gz RSJMFJZDAOXUBJ-NVXWUHKLSA-N 2 2 331.460 1.900 20 0 EDADLP C[NH+](CC(=O)N[C@@H]1CCOc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000345698048 445196804 /nfs/dbraw/zinc/19/68/04/445196804.db2.gz RSJMFJZDAOXUBJ-NVXWUHKLSA-N 2 2 331.460 1.900 20 0 EDADLP C[NH+](CC(=O)N[C@@H]1CCOc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000345698048 445196806 /nfs/dbraw/zinc/19/68/06/445196806.db2.gz RSJMFJZDAOXUBJ-NVXWUHKLSA-N 2 2 331.460 1.900 20 0 EDADLP CN(C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000346902577 445227441 /nfs/dbraw/zinc/22/74/41/445227441.db2.gz XRXABSJDAKUUFV-KSSFIOAISA-N 2 2 333.480 1.356 20 0 EDADLP CN(C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000346902577 445227443 /nfs/dbraw/zinc/22/74/43/445227443.db2.gz XRXABSJDAKUUFV-KSSFIOAISA-N 2 2 333.480 1.356 20 0 EDADLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000346902577 445227445 /nfs/dbraw/zinc/22/74/45/445227445.db2.gz XRXABSJDAKUUFV-KSSFIOAISA-N 2 2 333.480 1.356 20 0 EDADLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000346902577 445227446 /nfs/dbraw/zinc/22/74/46/445227446.db2.gz XRXABSJDAKUUFV-KSSFIOAISA-N 2 2 333.480 1.356 20 0 EDADLP CC[C@H](C(=O)OC)[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348100374 445268196 /nfs/dbraw/zinc/26/81/96/445268196.db2.gz IUSQEXAJISACEA-BFHYXJOUSA-N 2 2 326.416 1.216 20 0 EDADLP CC[C@H](C(=O)OC)[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348100374 445268199 /nfs/dbraw/zinc/26/81/99/445268199.db2.gz IUSQEXAJISACEA-BFHYXJOUSA-N 2 2 326.416 1.216 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000347887450 445254096 /nfs/dbraw/zinc/25/40/96/445254096.db2.gz HYCZDQJFAXQMSE-AHCXZYCDSA-N 2 2 337.508 1.815 20 0 EDADLP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000347887450 445254100 /nfs/dbraw/zinc/25/41/00/445254100.db2.gz HYCZDQJFAXQMSE-AHCXZYCDSA-N 2 2 337.508 1.815 20 0 EDADLP COc1cc2[nH+]c(N[C@@H]3CCC[N@H+](C)[C@@H]3C)nc(N)c2cc1OC ZINC000343606167 445261343 /nfs/dbraw/zinc/26/13/43/445261343.db2.gz OQWGUURKTONANP-ZYHUDNBSSA-N 2 2 331.420 1.546 20 0 EDADLP COc1cc2[nH+]c(N[C@@H]3CCC[N@@H+](C)[C@@H]3C)nc(N)c2cc1OC ZINC000343606167 445261347 /nfs/dbraw/zinc/26/13/47/445261347.db2.gz OQWGUURKTONANP-ZYHUDNBSSA-N 2 2 331.420 1.546 20 0 EDADLP Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nc(C(C)C)[nH+]1 ZINC000348348691 445264048 /nfs/dbraw/zinc/26/40/48/445264048.db2.gz GYTORFRWOGHXBC-HNNXBMFYSA-N 2 2 333.480 2.263 20 0 EDADLP Cc1cc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)nc(C(C)C)[nH+]1 ZINC000348348691 445264052 /nfs/dbraw/zinc/26/40/52/445264052.db2.gz GYTORFRWOGHXBC-HNNXBMFYSA-N 2 2 333.480 2.263 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)s1 ZINC000348233023 445323967 /nfs/dbraw/zinc/32/39/67/445323967.db2.gz SDWDXAGPQDNOQP-STQMWFEESA-N 2 2 346.522 1.155 20 0 EDADLP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1nc(C(C)(C)C)no1 ZINC000348531686 445316481 /nfs/dbraw/zinc/31/64/81/445316481.db2.gz DPAFTDVFNKSYSO-GFCCVEGCSA-N 2 2 349.479 1.761 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCCCC[C@@H]2O)CC1 ZINC000354641249 445324107 /nfs/dbraw/zinc/32/41/07/445324107.db2.gz XSCJWLNXUUUVBG-HOTGVXAUSA-N 2 2 326.485 1.005 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)C1 ZINC000343665741 445291848 /nfs/dbraw/zinc/29/18/48/445291848.db2.gz KNZKKQYBVVSUJQ-HZMVEIRTSA-N 2 2 330.476 1.999 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)C1 ZINC000343665741 445291853 /nfs/dbraw/zinc/29/18/53/445291853.db2.gz KNZKKQYBVVSUJQ-HZMVEIRTSA-N 2 2 330.476 1.999 20 0 EDADLP Cn1ccnc1[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000354635905 445323261 /nfs/dbraw/zinc/32/32/61/445323261.db2.gz RFTUSIWHTKGXBB-INIZCTEOSA-N 2 2 348.495 1.196 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2c2cc[nH]n2)C1 ZINC000348161800 445296205 /nfs/dbraw/zinc/29/62/05/445296205.db2.gz RZKIOJPQKALORF-NVXWUHKLSA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2c2cc[nH]n2)C1 ZINC000348161800 445296208 /nfs/dbraw/zinc/29/62/08/445296208.db2.gz RZKIOJPQKALORF-NVXWUHKLSA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)C1 ZINC000348161800 445296212 /nfs/dbraw/zinc/29/62/12/445296212.db2.gz RZKIOJPQKALORF-NVXWUHKLSA-N 2 2 349.479 1.020 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2cc[nH]n2)C1 ZINC000348161800 445296217 /nfs/dbraw/zinc/29/62/17/445296217.db2.gz RZKIOJPQKALORF-NVXWUHKLSA-N 2 2 349.479 1.020 20 0 EDADLP CCO[C@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351817022 445331948 /nfs/dbraw/zinc/33/19/48/445331948.db2.gz TWYCBWKWTAOGPJ-UXHICEINSA-N 2 2 347.503 1.982 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000348586215 445332727 /nfs/dbraw/zinc/33/27/27/445332727.db2.gz FMDKMOWHEJNZFP-KURKYZTESA-N 2 2 329.444 1.192 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000348586215 445332729 /nfs/dbraw/zinc/33/27/29/445332729.db2.gz FMDKMOWHEJNZFP-KURKYZTESA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000348586215 445332731 /nfs/dbraw/zinc/33/27/31/445332731.db2.gz FMDKMOWHEJNZFP-KURKYZTESA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000348586215 445332733 /nfs/dbraw/zinc/33/27/33/445332733.db2.gz FMDKMOWHEJNZFP-KURKYZTESA-N 2 2 329.444 1.192 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000351850194 445342724 /nfs/dbraw/zinc/34/27/24/445342724.db2.gz IKLLAZAMYDPOEG-ZIAGYGMSSA-N 2 2 330.432 1.421 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000351850194 445342727 /nfs/dbraw/zinc/34/27/27/445342727.db2.gz IKLLAZAMYDPOEG-ZIAGYGMSSA-N 2 2 330.432 1.421 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853190 445343963 /nfs/dbraw/zinc/34/39/63/445343963.db2.gz OGHKNUXQKOQAFY-HRCADAONSA-N 2 2 346.475 1.416 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351853190 445343964 /nfs/dbraw/zinc/34/39/64/445343964.db2.gz OGHKNUXQKOQAFY-HRCADAONSA-N 2 2 346.475 1.416 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)n2c1 ZINC000362375178 445351651 /nfs/dbraw/zinc/35/16/51/445351651.db2.gz BORYEHWHRAUZDN-QGZVFWFLSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CCN([C@@H]4CCC[N@H+](C)C4)CC3)n2c1 ZINC000362375178 445351656 /nfs/dbraw/zinc/35/16/56/445351656.db2.gz BORYEHWHRAUZDN-QGZVFWFLSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000362403197 445362138 /nfs/dbraw/zinc/36/21/38/445362138.db2.gz OUZULFMGNOCCQD-UHFFFAOYSA-N 2 2 328.420 1.427 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnn(CC(F)F)c1 ZINC000351807061 445327781 /nfs/dbraw/zinc/32/77/81/445327781.db2.gz GQMRELZIQIPCKR-RBSFLKMASA-N 2 2 328.407 1.832 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnn(CC(F)F)c1 ZINC000351807061 445327784 /nfs/dbraw/zinc/32/77/84/445327784.db2.gz GQMRELZIQIPCKR-RBSFLKMASA-N 2 2 328.407 1.832 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)CN1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000354809910 445403494 /nfs/dbraw/zinc/40/34/94/445403494.db2.gz SMAHJHAMSFWLPG-MRXNPFEDSA-N 2 2 327.432 1.118 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348847320 445413097 /nfs/dbraw/zinc/41/30/97/445413097.db2.gz JGSPOFILNXJKKK-UHFFFAOYSA-N 2 2 347.378 2.035 20 0 EDADLP COc1cccc(NC(=O)CC[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000362513094 445418929 /nfs/dbraw/zinc/41/89/29/445418929.db2.gz UACYIQFPBKDBPW-UHFFFAOYSA-N 2 2 335.448 1.412 20 0 EDADLP COc1cccc(NC(=O)CC[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000362513094 445418935 /nfs/dbraw/zinc/41/89/35/445418935.db2.gz UACYIQFPBKDBPW-UHFFFAOYSA-N 2 2 335.448 1.412 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000359778277 445423903 /nfs/dbraw/zinc/42/39/03/445423903.db2.gz NDQYAUVXZFICQG-WBVHZDCISA-N 2 2 325.497 1.724 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000359778277 445423908 /nfs/dbraw/zinc/42/39/08/445423908.db2.gz NDQYAUVXZFICQG-WBVHZDCISA-N 2 2 325.497 1.724 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000359778277 445423912 /nfs/dbraw/zinc/42/39/12/445423912.db2.gz NDQYAUVXZFICQG-WBVHZDCISA-N 2 2 325.497 1.724 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000359778277 445423915 /nfs/dbraw/zinc/42/39/15/445423915.db2.gz NDQYAUVXZFICQG-WBVHZDCISA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357100529 445428074 /nfs/dbraw/zinc/42/80/74/445428074.db2.gz GEXMGBYVRMWJME-IRXDYDNUSA-N 2 2 331.460 1.631 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357100529 445428078 /nfs/dbraw/zinc/42/80/78/445428078.db2.gz GEXMGBYVRMWJME-IRXDYDNUSA-N 2 2 331.460 1.631 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2)C[C@H](C)O1 ZINC000359700435 445382312 /nfs/dbraw/zinc/38/23/12/445382312.db2.gz PHRIUVUPHDDSQT-OKILXGFUSA-N 2 2 328.416 1.949 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3c[nH+]c[nH]3)cc2)C[C@H](C)O1 ZINC000359700435 445382317 /nfs/dbraw/zinc/38/23/17/445382317.db2.gz PHRIUVUPHDDSQT-OKILXGFUSA-N 2 2 328.416 1.949 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2)C[C@H](C)O1 ZINC000359700435 445382322 /nfs/dbraw/zinc/38/23/22/445382322.db2.gz PHRIUVUPHDDSQT-OKILXGFUSA-N 2 2 328.416 1.949 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3c[nH]c[nH+]3)cc2)C[C@H](C)O1 ZINC000359700435 445382326 /nfs/dbraw/zinc/38/23/26/445382326.db2.gz PHRIUVUPHDDSQT-OKILXGFUSA-N 2 2 328.416 1.949 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000357040149 445389281 /nfs/dbraw/zinc/38/92/81/445389281.db2.gz NTHAJYOSZKUPIU-FUNVUKJBSA-N 2 2 332.404 1.112 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000357040149 445389286 /nfs/dbraw/zinc/38/92/86/445389286.db2.gz NTHAJYOSZKUPIU-FUNVUKJBSA-N 2 2 332.404 1.112 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000352073389 445473642 /nfs/dbraw/zinc/47/36/42/445473642.db2.gz GMXDTWQGIGGCLM-HNNXBMFYSA-N 2 2 342.509 1.346 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000348900795 445434574 /nfs/dbraw/zinc/43/45/74/445434574.db2.gz MZLKNSUAYJJTRK-ROUUACIJSA-N 2 2 337.508 1.822 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000348900795 445434580 /nfs/dbraw/zinc/43/45/80/445434580.db2.gz MZLKNSUAYJJTRK-ROUUACIJSA-N 2 2 337.508 1.822 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2cscn2)cc[nH+]1 ZINC000354935827 445434902 /nfs/dbraw/zinc/43/49/02/445434902.db2.gz SGVKFLQYAXOIRU-AAEUAGOBSA-N 2 2 336.440 1.706 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000362734410 445523250 /nfs/dbraw/zinc/52/32/50/445523250.db2.gz GGDDMPZZUZTCHX-QWHCGFSZSA-N 2 2 335.452 1.214 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000362734410 445523254 /nfs/dbraw/zinc/52/32/54/445523254.db2.gz GGDDMPZZUZTCHX-QWHCGFSZSA-N 2 2 335.452 1.214 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000352391466 445525840 /nfs/dbraw/zinc/52/58/40/445525840.db2.gz LPRBPZFVQRIBTF-OWCLPIDISA-N 2 2 333.480 2.092 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000352391466 445525842 /nfs/dbraw/zinc/52/58/42/445525842.db2.gz LPRBPZFVQRIBTF-OWCLPIDISA-N 2 2 333.480 2.092 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000362693806 445503892 /nfs/dbraw/zinc/50/38/92/445503892.db2.gz OKHRHIDQWYDTCS-CQSZACIVSA-N 2 2 339.386 1.684 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000362693806 445503895 /nfs/dbraw/zinc/50/38/95/445503895.db2.gz OKHRHIDQWYDTCS-CQSZACIVSA-N 2 2 339.386 1.684 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362695562 445504683 /nfs/dbraw/zinc/50/46/83/445504683.db2.gz VFZFRWJPWRJHCG-AWEZNQCLSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000362695562 445504684 /nfs/dbraw/zinc/50/46/84/445504684.db2.gz VFZFRWJPWRJHCG-AWEZNQCLSA-N 2 2 325.815 1.875 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000355981166 445555811 /nfs/dbraw/zinc/55/58/11/445555811.db2.gz DHAKXIHHLGRWHN-LLVKDONJSA-N 2 2 325.457 1.649 20 0 EDADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362828906 445570002 /nfs/dbraw/zinc/57/00/02/445570002.db2.gz FBFGDHUWEVVWRG-WBVHZDCISA-N 2 2 344.459 1.218 20 0 EDADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362828906 445570006 /nfs/dbraw/zinc/57/00/06/445570006.db2.gz FBFGDHUWEVVWRG-WBVHZDCISA-N 2 2 344.459 1.218 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353021367 445571824 /nfs/dbraw/zinc/57/18/24/445571824.db2.gz JPFSZVARYKCFQX-GOSISDBHSA-N 3 2 341.540 1.920 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000353021367 445571827 /nfs/dbraw/zinc/57/18/27/445571827.db2.gz JPFSZVARYKCFQX-GOSISDBHSA-N 3 2 341.540 1.920 20 0 EDADLP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC[NH+](CCO)CC1 ZINC000357724057 445578345 /nfs/dbraw/zinc/57/83/45/445578345.db2.gz XPTFVLKUPQXHCH-WMZOPIPTSA-N 2 2 337.508 1.556 20 0 EDADLP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC[NH+](CCO)CC1 ZINC000357724057 445578348 /nfs/dbraw/zinc/57/83/48/445578348.db2.gz XPTFVLKUPQXHCH-WMZOPIPTSA-N 2 2 337.508 1.556 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000360123153 445579858 /nfs/dbraw/zinc/57/98/58/445579858.db2.gz GJRLIHWVHCNCQF-IIAWOOMASA-N 2 2 337.468 1.668 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000360123153 445579861 /nfs/dbraw/zinc/57/98/61/445579861.db2.gz GJRLIHWVHCNCQF-IIAWOOMASA-N 2 2 337.468 1.668 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000356032230 445579888 /nfs/dbraw/zinc/57/98/88/445579888.db2.gz GBIYNFIIQXWTRZ-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000356032230 445579892 /nfs/dbraw/zinc/57/98/92/445579892.db2.gz GBIYNFIIQXWTRZ-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)Nc1cncc(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000357321812 445547565 /nfs/dbraw/zinc/54/75/65/445547565.db2.gz BFLWPPYKPFUOSC-ZIAGYGMSSA-N 2 2 326.408 1.871 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)no1 ZINC000353432330 445599268 /nfs/dbraw/zinc/59/92/68/445599268.db2.gz SBTFFNNDBMBKCN-NSHDSACASA-N 2 2 332.408 1.257 20 0 EDADLP CC[NH+]1CCN(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000360157317 445600132 /nfs/dbraw/zinc/60/01/32/445600132.db2.gz ULUWNMGVUFFKSM-UHFFFAOYSA-N 2 2 341.459 1.185 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000362997371 445643322 /nfs/dbraw/zinc/64/33/22/445643322.db2.gz POYJDCYPLRELLI-OAHLLOKOSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000362997371 445643326 /nfs/dbraw/zinc/64/33/26/445643326.db2.gz POYJDCYPLRELLI-OAHLLOKOSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000362997371 445643332 /nfs/dbraw/zinc/64/33/32/445643332.db2.gz POYJDCYPLRELLI-OAHLLOKOSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000362997371 445643336 /nfs/dbraw/zinc/64/33/36/445643336.db2.gz POYJDCYPLRELLI-OAHLLOKOSA-N 2 2 349.479 1.036 20 0 EDADLP Cc1cc(NC(=O)CC[N@H+](C)CCC[NH+](C)Cc2ccco2)no1 ZINC000353541057 445649117 /nfs/dbraw/zinc/64/91/17/445649117.db2.gz GPYIFLWDBSHZGX-UHFFFAOYSA-N 2 2 334.420 2.359 20 0 EDADLP Cc1cc(NC(=O)CC[N@@H+](C)CCC[NH+](C)Cc2ccco2)no1 ZINC000353541057 445649122 /nfs/dbraw/zinc/64/91/22/445649122.db2.gz GPYIFLWDBSHZGX-UHFFFAOYSA-N 2 2 334.420 2.359 20 0 EDADLP Cc1cc(NC(=O)CC[NH+](C)CCC[N@H+](C)Cc2ccco2)no1 ZINC000353541057 445649126 /nfs/dbraw/zinc/64/91/26/445649126.db2.gz GPYIFLWDBSHZGX-UHFFFAOYSA-N 2 2 334.420 2.359 20 0 EDADLP Cc1cc(NC(=O)CC[NH+](C)CCC[N@@H+](C)Cc2ccco2)no1 ZINC000353541057 445649130 /nfs/dbraw/zinc/64/91/30/445649130.db2.gz GPYIFLWDBSHZGX-UHFFFAOYSA-N 2 2 334.420 2.359 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000356151769 445649803 /nfs/dbraw/zinc/64/98/03/445649803.db2.gz KRLJSFSLPVWXLY-LBPRGKRZSA-N 2 2 341.419 1.485 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000358580344 445660505 /nfs/dbraw/zinc/66/05/05/445660505.db2.gz XKYAMRJVTSDNBF-YSTOQKLRSA-N 3 2 331.504 1.799 20 0 EDADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000358580344 445660510 /nfs/dbraw/zinc/66/05/10/445660510.db2.gz XKYAMRJVTSDNBF-YSTOQKLRSA-N 3 2 331.504 1.799 20 0 EDADLP COc1ccc([C@H](NC(=O)N[C@@H](C)C[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000349818774 445688372 /nfs/dbraw/zinc/68/83/72/445688372.db2.gz DXQQEHGEGFXLLI-BBRMVZONSA-N 2 2 345.447 1.767 20 0 EDADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353675675 445702942 /nfs/dbraw/zinc/70/29/42/445702942.db2.gz HNKMVEIYGJQORW-KRWDZBQOSA-N 2 2 347.463 1.028 20 0 EDADLP O=C(NCCNc1cc[nH+]cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000356279768 445714714 /nfs/dbraw/zinc/71/47/14/445714714.db2.gz LEYOAIRJLAVTOO-UHFFFAOYSA-N 2 2 340.431 1.410 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000363250548 445739866 /nfs/dbraw/zinc/73/98/66/445739866.db2.gz PIEMHPBNJIBSBC-QGZVFWFLSA-N 2 2 339.443 1.823 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000363250548 445739870 /nfs/dbraw/zinc/73/98/70/445739870.db2.gz PIEMHPBNJIBSBC-QGZVFWFLSA-N 2 2 339.443 1.823 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000358742138 445753441 /nfs/dbraw/zinc/75/34/41/445753441.db2.gz ITKBXNKFZLCRLA-UHFFFAOYSA-N 2 2 348.882 1.993 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1(C)C ZINC000353949127 445823056 /nfs/dbraw/zinc/82/30/56/445823056.db2.gz ZUJWFWOJZRKCIU-QTOOVYPUSA-N 2 2 337.508 1.719 20 0 EDADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1(C)C ZINC000353949127 445823061 /nfs/dbraw/zinc/82/30/61/445823061.db2.gz ZUJWFWOJZRKCIU-QTOOVYPUSA-N 2 2 337.508 1.719 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000363490524 445828673 /nfs/dbraw/zinc/82/86/73/445828673.db2.gz REMWXQUDBAFVTM-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H](C)N3CC[NH+](C)CC3)sc2C1 ZINC000363391753 445784842 /nfs/dbraw/zinc/78/48/42/445784842.db2.gz YMTXFZGDCDRSGH-LBPRGKRZSA-N 2 2 337.493 1.096 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)[C@H](C)N3CC[NH+](C)CC3)sc2C1 ZINC000363391753 445784845 /nfs/dbraw/zinc/78/48/45/445784845.db2.gz YMTXFZGDCDRSGH-LBPRGKRZSA-N 2 2 337.493 1.096 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000350180750 445787034 /nfs/dbraw/zinc/78/70/34/445787034.db2.gz HQMOEJCDROCRNH-QGZVFWFLSA-N 2 2 344.463 1.595 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000350180750 445787038 /nfs/dbraw/zinc/78/70/38/445787038.db2.gz HQMOEJCDROCRNH-QGZVFWFLSA-N 2 2 344.463 1.595 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)C2)CC1 ZINC000358814948 445789345 /nfs/dbraw/zinc/78/93/45/445789345.db2.gz PRVFXHBJDFFGDP-DLBZAZTESA-N 2 2 339.528 1.138 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[N@@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000363410017 445793133 /nfs/dbraw/zinc/79/31/33/445793133.db2.gz BPFZFKRVXKQTGN-HZPDHXFCSA-N 2 2 331.464 1.360 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[N@H+]4CCC[C@@H]4C3)nc[nH+]2)C1 ZINC000363410017 445793137 /nfs/dbraw/zinc/79/31/37/445793137.db2.gz BPFZFKRVXKQTGN-HZPDHXFCSA-N 2 2 331.464 1.360 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000350252029 445801156 /nfs/dbraw/zinc/80/11/56/445801156.db2.gz PBBJMTOKXVNFKF-HNNXBMFYSA-N 2 2 329.448 1.723 20 0 EDADLP Cc1nnccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000363440771 445804423 /nfs/dbraw/zinc/80/44/23/445804423.db2.gz ARKUEHKEGAYEMA-XYPWUTKMSA-N 2 2 329.448 1.168 20 0 EDADLP Cc1nnccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000363440771 445804429 /nfs/dbraw/zinc/80/44/29/445804429.db2.gz ARKUEHKEGAYEMA-XYPWUTKMSA-N 2 2 329.448 1.168 20 0 EDADLP COc1c(Br)cccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358988044 445876124 /nfs/dbraw/zinc/87/61/24/445876124.db2.gz PLZQACZRFSIBIU-AWEZNQCLSA-N 2 2 329.238 1.614 20 0 EDADLP COc1c(Br)cccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358988044 445876130 /nfs/dbraw/zinc/87/61/30/445876130.db2.gz PLZQACZRFSIBIU-AWEZNQCLSA-N 2 2 329.238 1.614 20 0 EDADLP Cc1ccc2c(c1)C[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C2 ZINC000361590694 445837738 /nfs/dbraw/zinc/83/77/38/445837738.db2.gz ZGAJJCZUUNFFLJ-LJQANCHMSA-N 2 2 345.487 1.784 20 0 EDADLP Cc1ccc2c(c1)C[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C2 ZINC000361590694 445837739 /nfs/dbraw/zinc/83/77/39/445837739.db2.gz ZGAJJCZUUNFFLJ-LJQANCHMSA-N 2 2 345.487 1.784 20 0 EDADLP Cc1ccc2c(c1)C[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C2 ZINC000361590694 445837740 /nfs/dbraw/zinc/83/77/40/445837740.db2.gz ZGAJJCZUUNFFLJ-LJQANCHMSA-N 2 2 345.487 1.784 20 0 EDADLP Cc1ccc2c(c1)C[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C2 ZINC000361590694 445837741 /nfs/dbraw/zinc/83/77/41/445837741.db2.gz ZGAJJCZUUNFFLJ-LJQANCHMSA-N 2 2 345.487 1.784 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc2ccccc2n1 ZINC000358897678 445838085 /nfs/dbraw/zinc/83/80/85/445838085.db2.gz NHJNTLFRZVQJDK-UHFFFAOYSA-N 2 2 343.475 1.521 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc2ccccc2n1 ZINC000358897678 445838088 /nfs/dbraw/zinc/83/80/88/445838088.db2.gz NHJNTLFRZVQJDK-UHFFFAOYSA-N 2 2 343.475 1.521 20 0 EDADLP COC(=O)[C@@H](c1cccnc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363517433 445841133 /nfs/dbraw/zinc/84/11/33/445841133.db2.gz IMDVDHUCDRWOOR-GOSISDBHSA-N 2 2 347.459 1.730 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1[NH+]1CCCC1 ZINC000361625016 445852743 /nfs/dbraw/zinc/85/27/43/445852743.db2.gz STNAGSFJUZIVCA-QLFBSQMISA-N 2 2 334.489 1.484 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@](C)(O)c1ccccc1 ZINC000361757490 445919633 /nfs/dbraw/zinc/91/96/33/445919633.db2.gz WATYANSYKAGCBJ-RLLQIKCJSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@](C)(O)c1ccccc1 ZINC000361757490 445919636 /nfs/dbraw/zinc/91/96/36/445919636.db2.gz WATYANSYKAGCBJ-RLLQIKCJSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@](C)(O)c1ccccc1 ZINC000361757490 445919641 /nfs/dbraw/zinc/91/96/41/445919641.db2.gz WATYANSYKAGCBJ-RLLQIKCJSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@](C)(O)c1ccccc1 ZINC000361757490 445919645 /nfs/dbraw/zinc/91/96/45/445919645.db2.gz WATYANSYKAGCBJ-RLLQIKCJSA-N 2 2 347.503 1.231 20 0 EDADLP COCC1(C)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000359170802 445997873 /nfs/dbraw/zinc/99/78/73/445997873.db2.gz BDLGJQRJXDNYCA-UHFFFAOYSA-N 2 2 340.512 1.471 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000356724846 445968184 /nfs/dbraw/zinc/96/81/84/445968184.db2.gz HQZIENHGDNMQJR-JKSUJKDBSA-N 2 2 333.480 1.676 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000356724846 445968193 /nfs/dbraw/zinc/96/81/93/445968193.db2.gz HQZIENHGDNMQJR-JKSUJKDBSA-N 2 2 333.480 1.676 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4[nH+]ccn4c3)C2)CC1 ZINC000366030538 445971807 /nfs/dbraw/zinc/97/18/07/445971807.db2.gz BPFAYOWPRSNISK-QGZVFWFLSA-N 2 2 341.459 1.575 20 0 EDADLP 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OC[C@@H]1CCCCN1c1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]cn1 ZINC000370501447 446308754 /nfs/dbraw/zinc/30/87/54/446308754.db2.gz WFPCJRGUMUQKGX-ARFHVFGLSA-N 2 2 347.463 1.103 20 0 EDADLP CCCCNc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)nc(N)[nH+]1 ZINC000374033086 446347836 /nfs/dbraw/zinc/34/78/36/446347836.db2.gz KSBBJOMZZLEURK-CQSZACIVSA-N 2 2 348.495 1.960 20 0 EDADLP CCCCNc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)nc(N)[nH+]1 ZINC000374033086 446347840 /nfs/dbraw/zinc/34/78/40/446347840.db2.gz KSBBJOMZZLEURK-CQSZACIVSA-N 2 2 348.495 1.960 20 0 EDADLP CCCCNc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)[nH+]c(N)n1 ZINC000374033086 446347843 /nfs/dbraw/zinc/34/78/43/446347843.db2.gz KSBBJOMZZLEURK-CQSZACIVSA-N 2 2 348.495 1.960 20 0 EDADLP CCCCNc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)[nH+]c(N)n1 ZINC000374033086 446347846 /nfs/dbraw/zinc/34/78/46/446347846.db2.gz KSBBJOMZZLEURK-CQSZACIVSA-N 2 2 348.495 1.960 20 0 EDADLP c1cc2[nH+]ccc(NC[C@@]3([NH+]4CCOCC4)CCCOC3)c2cn1 ZINC000370573867 446337950 /nfs/dbraw/zinc/33/79/50/446337950.db2.gz MIWWASDZWQCZSH-SFHVURJKSA-N 2 2 328.416 1.345 20 0 EDADLP CO[C@@H]1CCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366791280 446352319 /nfs/dbraw/zinc/35/23/19/446352319.db2.gz CQVLJRBTEFBYIB-GVDBMIGSSA-N 2 2 338.496 1.364 20 0 EDADLP CO[C@@H]1CCC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366791280 446352323 /nfs/dbraw/zinc/35/23/23/446352323.db2.gz CQVLJRBTEFBYIB-GVDBMIGSSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000417528577 446361625 /nfs/dbraw/zinc/36/16/25/446361625.db2.gz WXKYMNFNGZYQFJ-CVEARBPZSA-N 2 2 340.512 1.646 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374324938 446362453 /nfs/dbraw/zinc/36/24/53/446362453.db2.gz NRLOYJVRYLIBSZ-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)OC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374324938 446362456 /nfs/dbraw/zinc/36/24/56/446362456.db2.gz NRLOYJVRYLIBSZ-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)CCC2 ZINC000374423727 446368773 /nfs/dbraw/zinc/36/87/73/446368773.db2.gz XFWBRGWFVZNQBG-HNNXBMFYSA-N 2 2 349.479 1.167 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000370716311 446399879 /nfs/dbraw/zinc/39/98/79/446399879.db2.gz LCNKIJLGHSJAAU-QZTJIDSGSA-N 2 2 345.487 1.734 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000370716311 446399884 /nfs/dbraw/zinc/39/98/84/446399884.db2.gz LCNKIJLGHSJAAU-QZTJIDSGSA-N 2 2 345.487 1.734 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000370716311 446399890 /nfs/dbraw/zinc/39/98/90/446399890.db2.gz LCNKIJLGHSJAAU-QZTJIDSGSA-N 2 2 345.487 1.734 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000370716311 446399893 /nfs/dbraw/zinc/39/98/93/446399893.db2.gz LCNKIJLGHSJAAU-QZTJIDSGSA-N 2 2 345.487 1.734 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000417919119 446385355 /nfs/dbraw/zinc/38/53/55/446385355.db2.gz CPBGQPYAYDPIAQ-GJZGRUSLSA-N 2 2 340.830 1.838 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000417919119 446385359 /nfs/dbraw/zinc/38/53/59/446385359.db2.gz CPBGQPYAYDPIAQ-GJZGRUSLSA-N 2 2 340.830 1.838 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417950167 446395333 /nfs/dbraw/zinc/39/53/33/446395333.db2.gz XFCVQRWFDLGISO-KGLIPLIRSA-N 2 2 328.819 1.872 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417950167 446395337 /nfs/dbraw/zinc/39/53/37/446395337.db2.gz XFCVQRWFDLGISO-KGLIPLIRSA-N 2 2 328.819 1.872 20 0 EDADLP CN(CC[NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000417950929 446396883 /nfs/dbraw/zinc/39/68/83/446396883.db2.gz KUZDTMJGBQYRKN-LSDHHAIUSA-N 2 2 340.855 1.312 20 0 EDADLP CN(CC[NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000417950929 446396885 /nfs/dbraw/zinc/39/68/85/446396885.db2.gz KUZDTMJGBQYRKN-LSDHHAIUSA-N 2 2 340.855 1.312 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370771274 446429854 /nfs/dbraw/zinc/42/98/54/446429854.db2.gz HVFZCZAVUBTNHQ-DOTOQJQBSA-N 2 2 342.443 1.494 20 0 EDADLP COC[C@]1(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CCC[NH2+]1 ZINC000420247645 446430536 /nfs/dbraw/zinc/43/05/36/446430536.db2.gz HDIXNHNKLLSMEB-WMLDXEAASA-N 2 2 335.452 1.008 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(NCC(F)(F)C[NH3+])cc[nH+]1 ZINC000420246552 446430857 /nfs/dbraw/zinc/43/08/57/446430857.db2.gz TVQQNOKUDRABHC-AAEUAGOBSA-N 2 2 329.395 2.098 20 0 EDADLP C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420287483 446452428 /nfs/dbraw/zinc/45/24/28/446452428.db2.gz GMTAMCWVJQDZNM-KGLIPLIRSA-N 2 2 349.483 1.026 20 0 EDADLP C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420287483 446452432 /nfs/dbraw/zinc/45/24/32/446452432.db2.gz GMTAMCWVJQDZNM-KGLIPLIRSA-N 2 2 349.483 1.026 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000423132839 446434203 /nfs/dbraw/zinc/43/42/03/446434203.db2.gz VAXJNJDOENDRFV-RDJZCZTQSA-N 3 2 336.480 1.269 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc(N2CCCC2)n1 ZINC000423137351 446436162 /nfs/dbraw/zinc/43/61/62/446436162.db2.gz WEOHREZNAGRPOV-KZNAEPCWSA-N 2 2 345.491 1.632 20 0 EDADLP CC(C)c1nc(N2C[C@H](C[NH3+])C3(C2)CCOCC3)nc(N(C)C)[nH+]1 ZINC000420268217 446439619 /nfs/dbraw/zinc/43/96/19/446439619.db2.gz HKGGVIVYNAULJT-ZDUSSCGKSA-N 2 2 334.468 1.253 20 0 EDADLP CC(C)c1nc(N(C)C)nc(N2C[C@H](C[NH3+])C3(C2)CCOCC3)[nH+]1 ZINC000420268217 446439625 /nfs/dbraw/zinc/43/96/25/446439625.db2.gz HKGGVIVYNAULJT-ZDUSSCGKSA-N 2 2 334.468 1.253 20 0 EDADLP CCNc1nc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000420271721 446442638 /nfs/dbraw/zinc/44/26/38/446442638.db2.gz KLUBYJBBSWYZDW-ZIAGYGMSSA-N 2 2 347.511 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[nH+]1 ZINC000420271721 446442647 /nfs/dbraw/zinc/44/26/47/446442647.db2.gz KLUBYJBBSWYZDW-ZIAGYGMSSA-N 2 2 347.511 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420271721 446442657 /nfs/dbraw/zinc/44/26/57/446442657.db2.gz KLUBYJBBSWYZDW-ZIAGYGMSSA-N 2 2 347.511 1.762 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1C ZINC000420273914 446445288 /nfs/dbraw/zinc/44/52/88/446445288.db2.gz NUDZFIUAJKRELY-UHFFFAOYSA-N 2 2 339.461 1.842 20 0 EDADLP CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000370728474 446406040 /nfs/dbraw/zinc/40/60/40/446406040.db2.gz AYNMTUFFMSGURJ-SFHVURJKSA-N 2 2 347.507 1.046 20 0 EDADLP CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000370728474 446406045 /nfs/dbraw/zinc/40/60/45/446406045.db2.gz AYNMTUFFMSGURJ-SFHVURJKSA-N 2 2 347.507 1.046 20 0 EDADLP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000370728474 446406051 /nfs/dbraw/zinc/40/60/51/446406051.db2.gz AYNMTUFFMSGURJ-SFHVURJKSA-N 2 2 347.507 1.046 20 0 EDADLP CN(C)CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000370728474 446406053 /nfs/dbraw/zinc/40/60/53/446406053.db2.gz AYNMTUFFMSGURJ-SFHVURJKSA-N 2 2 347.507 1.046 20 0 EDADLP CN(CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)CC[NH+](C)C ZINC000370728474 446406058 /nfs/dbraw/zinc/40/60/58/446406058.db2.gz AYNMTUFFMSGURJ-SFHVURJKSA-N 2 2 347.507 1.046 20 0 EDADLP CN(CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)CC[NH+](C)C ZINC000370728474 446406066 /nfs/dbraw/zinc/40/60/66/446406066.db2.gz AYNMTUFFMSGURJ-SFHVURJKSA-N 2 2 347.507 1.046 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418003471 446412624 /nfs/dbraw/zinc/41/26/24/446412624.db2.gz YJCFIHYQRCBBSP-UONOGXRCSA-N 2 2 328.819 1.872 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418003471 446412627 /nfs/dbraw/zinc/41/26/27/446412627.db2.gz YJCFIHYQRCBBSP-UONOGXRCSA-N 2 2 328.819 1.872 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418211224 446460607 /nfs/dbraw/zinc/46/06/07/446460607.db2.gz KRSPAQOEYJCCPJ-AEFFLSMTSA-N 2 2 346.475 1.411 20 0 EDADLP CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830119 446464773 /nfs/dbraw/zinc/46/47/73/446464773.db2.gz LDBWDTLLXMGNSB-LAQIPUCWSA-N 2 2 331.464 1.060 20 0 EDADLP CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830119 446464775 /nfs/dbraw/zinc/46/47/75/446464775.db2.gz LDBWDTLLXMGNSB-LAQIPUCWSA-N 2 2 331.464 1.060 20 0 EDADLP COc1ccc(-c2noc(CN3CC[NH+](CCC[NH3+])CC3)n2)cc1 ZINC000420305602 446467408 /nfs/dbraw/zinc/46/74/08/446467408.db2.gz PQCNBCMAKUFTLQ-UHFFFAOYSA-N 2 2 331.420 1.212 20 0 EDADLP Cc1cc(N2CCN(C(=O)CC3(C[NH3+])CC3)CC2)nc(C(C)C)[nH+]1 ZINC000423308710 446483481 /nfs/dbraw/zinc/48/34/81/446483481.db2.gz JUGSLNOLQYLFIW-UHFFFAOYSA-N 2 2 331.464 1.686 20 0 EDADLP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H](C)O1 ZINC000370871911 446490845 /nfs/dbraw/zinc/49/08/45/446490845.db2.gz DYPKCDSCILOTQM-BZUAXINKSA-N 2 2 334.464 1.451 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418299528 446491708 /nfs/dbraw/zinc/49/17/08/446491708.db2.gz LFVLRIHGHKWNFU-UHFFFAOYSA-N 2 2 334.439 1.795 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000423326568 446488832 /nfs/dbraw/zinc/48/88/32/446488832.db2.gz CMTOLWYFJCSUGI-JQHSSLGASA-N 2 2 333.476 1.796 20 0 EDADLP CCc1cccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420333315 446502572 /nfs/dbraw/zinc/50/25/72/446502572.db2.gz SPDHJBDLHUKQIN-MRXNPFEDSA-N 2 2 331.460 1.875 20 0 EDADLP CCc1cccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420333315 446502580 /nfs/dbraw/zinc/50/25/80/446502580.db2.gz SPDHJBDLHUKQIN-MRXNPFEDSA-N 2 2 331.460 1.875 20 0 EDADLP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000376450897 446505390 /nfs/dbraw/zinc/50/53/90/446505390.db2.gz UFACQLRTQKWNJY-HZPDHXFCSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000376450897 446505395 /nfs/dbraw/zinc/50/53/95/446505395.db2.gz UFACQLRTQKWNJY-HZPDHXFCSA-N 2 2 331.464 1.502 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000423380814 446510424 /nfs/dbraw/zinc/51/04/24/446510424.db2.gz OCWHJSLTEZUBCF-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420328249 446498096 /nfs/dbraw/zinc/49/80/96/446498096.db2.gz FEXHNFXHBJEJAQ-RRQGHBQHSA-N 2 2 345.443 1.162 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000420328249 446498103 /nfs/dbraw/zinc/49/81/03/446498103.db2.gz FEXHNFXHBJEJAQ-RRQGHBQHSA-N 2 2 345.443 1.162 20 0 EDADLP CC[NH2+]CCNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418327262 446500422 /nfs/dbraw/zinc/50/04/22/446500422.db2.gz PUEOQOGUMXXBPC-OAHLLOKOSA-N 2 2 347.463 1.454 20 0 EDADLP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000423516046 446558346 /nfs/dbraw/zinc/55/83/46/446558346.db2.gz NIKIECBXVHTTNY-WMLDXEAASA-N 2 2 333.480 1.771 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(-n2cncn2)cc1Cl ZINC000423520043 446560907 /nfs/dbraw/zinc/56/09/07/446560907.db2.gz PNPVPCQWIOZNKC-GXTWGEPZSA-N 2 2 334.855 1.475 20 0 EDADLP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420387114 446561879 /nfs/dbraw/zinc/56/18/79/446561879.db2.gz JMLQIPSWUFOVOC-KRWDZBQOSA-N 2 2 327.513 1.957 20 0 EDADLP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420387114 446561887 /nfs/dbraw/zinc/56/18/87/446561887.db2.gz JMLQIPSWUFOVOC-KRWDZBQOSA-N 2 2 327.513 1.957 20 0 EDADLP CCC[NH2+]CCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418486482 446562295 /nfs/dbraw/zinc/56/22/95/446562295.db2.gz FXFWFLHNYBTYTI-UHFFFAOYSA-N 2 2 334.464 1.392 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CCO1 ZINC000411479287 446563029 /nfs/dbraw/zinc/56/30/29/446563029.db2.gz UDJNYZXLLRZZBU-HNNXBMFYSA-N 2 2 348.447 1.172 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CCO1 ZINC000411479287 446563034 /nfs/dbraw/zinc/56/30/34/446563034.db2.gz UDJNYZXLLRZZBU-HNNXBMFYSA-N 2 2 348.447 1.172 20 0 EDADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420388058 446563204 /nfs/dbraw/zinc/56/32/04/446563204.db2.gz KUBXBSJPXGEHTM-KBPBESRZSA-N 2 2 328.416 1.611 20 0 EDADLP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420388058 446563209 /nfs/dbraw/zinc/56/32/09/446563209.db2.gz KUBXBSJPXGEHTM-KBPBESRZSA-N 2 2 328.416 1.611 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418380895 446522589 /nfs/dbraw/zinc/52/25/89/446522589.db2.gz HTCNWRILQAJJLI-KGLIPLIRSA-N 2 2 335.452 1.166 20 0 EDADLP O=C1[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000420351856 446529778 /nfs/dbraw/zinc/52/97/78/446529778.db2.gz XWIDVDNKWZIGGP-WMLDXEAASA-N 2 2 348.878 1.425 20 0 EDADLP O=C1[C@H]([N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000420351856 446529784 /nfs/dbraw/zinc/52/97/84/446529784.db2.gz XWIDVDNKWZIGGP-WMLDXEAASA-N 2 2 348.878 1.425 20 0 EDADLP COCC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1 ZINC000375041897 446537001 /nfs/dbraw/zinc/53/70/01/446537001.db2.gz YWIGCKCKVCZRPT-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420359823 446539622 /nfs/dbraw/zinc/53/96/22/446539622.db2.gz KNSXBHKUXHAATR-OAHLLOKOSA-N 2 2 333.432 1.780 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000418428621 446540496 /nfs/dbraw/zinc/54/04/96/446540496.db2.gz QKWXQSQZAXWUCQ-HZPDHXFCSA-N 3 2 339.528 1.170 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000418428621 446540502 /nfs/dbraw/zinc/54/05/02/446540502.db2.gz QKWXQSQZAXWUCQ-HZPDHXFCSA-N 3 2 339.528 1.170 20 0 EDADLP [NH3+]C[C@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)C1CCCCC1 ZINC000420360388 446540531 /nfs/dbraw/zinc/54/05/31/446540531.db2.gz GYASCOOHUAVZJT-SJORKVTESA-N 2 2 331.460 1.604 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000420360266 446541489 /nfs/dbraw/zinc/54/14/89/446541489.db2.gz LUJMSVDNEYWEQX-ROUUACIJSA-N 2 2 330.403 1.951 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000420360266 446541497 /nfs/dbraw/zinc/54/14/97/446541497.db2.gz LUJMSVDNEYWEQX-ROUUACIJSA-N 2 2 330.403 1.951 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCCOc1ccccc1F ZINC000420367955 446546871 /nfs/dbraw/zinc/54/68/71/446546871.db2.gz KCJUQUZFBVMLPT-IBGZPJMESA-N 2 2 349.450 1.786 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCCOc1ccccc1F ZINC000420367955 446546876 /nfs/dbraw/zinc/54/68/76/446546876.db2.gz KCJUQUZFBVMLPT-IBGZPJMESA-N 2 2 349.450 1.786 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccncc1 ZINC000453139504 446547584 /nfs/dbraw/zinc/54/75/84/446547584.db2.gz IFGJKZJZUJQERO-SJORKVTESA-N 2 2 332.448 1.055 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]21 ZINC000375055752 446549734 /nfs/dbraw/zinc/54/97/34/446549734.db2.gz BQBDMAFZUAKUEP-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@H]21 ZINC000375055752 446549738 /nfs/dbraw/zinc/54/97/38/446549738.db2.gz BQBDMAFZUAKUEP-IAGOWNOFSA-N 2 2 343.475 1.917 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420371908 446550224 /nfs/dbraw/zinc/55/02/24/446550224.db2.gz DREFRYZOGDVSKP-QLFBSQMISA-N 2 2 349.475 1.798 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420371908 446550234 /nfs/dbraw/zinc/55/02/34/446550234.db2.gz DREFRYZOGDVSKP-QLFBSQMISA-N 2 2 349.475 1.798 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[NH+]1CCCO ZINC000453259344 446552434 /nfs/dbraw/zinc/55/24/34/446552434.db2.gz IILHIJALOLWRET-RLLQIKCJSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[NH+]1CCCO ZINC000453259344 446552443 /nfs/dbraw/zinc/55/24/43/446552443.db2.gz IILHIJALOLWRET-RLLQIKCJSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[N@@H+]1CCCO ZINC000453259344 446552447 /nfs/dbraw/zinc/55/24/47/446552447.db2.gz IILHIJALOLWRET-RLLQIKCJSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[N@H+]1CCCO ZINC000453259344 446552451 /nfs/dbraw/zinc/55/24/51/446552451.db2.gz IILHIJALOLWRET-RLLQIKCJSA-N 2 2 346.519 1.728 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420374283 446553166 /nfs/dbraw/zinc/55/31/66/446553166.db2.gz HJTXFSOUCKKNDR-HOTGVXAUSA-N 2 2 349.475 1.497 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420374283 446553174 /nfs/dbraw/zinc/55/31/74/446553174.db2.gz HJTXFSOUCKKNDR-HOTGVXAUSA-N 2 2 349.475 1.497 20 0 EDADLP C[C@@H]1CC[N@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000420394788 446568082 /nfs/dbraw/zinc/56/80/82/446568082.db2.gz CRYCGNJIAMXVMN-KGLIPLIRSA-N 2 2 326.462 1.386 20 0 EDADLP C[C@@H]1CC[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000420394788 446568089 /nfs/dbraw/zinc/56/80/89/446568089.db2.gz CRYCGNJIAMXVMN-KGLIPLIRSA-N 2 2 326.462 1.386 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCOc1cccc(S(C)(=O)=O)c1 ZINC000420380604 446556081 /nfs/dbraw/zinc/55/60/81/446556081.db2.gz YIPODXOHNXQHGK-IOASZLSFSA-N 2 2 326.462 1.445 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000371072995 446611566 /nfs/dbraw/zinc/61/15/66/446611566.db2.gz KATBMXQOXCRMKB-CABCVRRESA-N 2 2 349.479 1.064 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000371072995 446611570 /nfs/dbraw/zinc/61/15/70/446611570.db2.gz KATBMXQOXCRMKB-CABCVRRESA-N 2 2 349.479 1.064 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453712076 446615492 /nfs/dbraw/zinc/61/54/92/446615492.db2.gz MLOHPKXAVXMGCP-CXAGYDPISA-N 2 2 344.459 1.337 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453712076 446615495 /nfs/dbraw/zinc/61/54/95/446615495.db2.gz MLOHPKXAVXMGCP-CXAGYDPISA-N 2 2 344.459 1.337 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420397024 446570580 /nfs/dbraw/zinc/57/05/80/446570580.db2.gz FTYCWKOWFPUNIU-RISCZKNCSA-N 2 2 335.448 1.908 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420397024 446570582 /nfs/dbraw/zinc/57/05/82/446570582.db2.gz FTYCWKOWFPUNIU-RISCZKNCSA-N 2 2 335.448 1.908 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1C ZINC000433491283 446582425 /nfs/dbraw/zinc/58/24/25/446582425.db2.gz NCLOQFYJFRPRIJ-JKSUJKDBSA-N 2 2 331.464 1.110 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371043908 446593231 /nfs/dbraw/zinc/59/32/31/446593231.db2.gz MZFLWRURXXYIKJ-CABCVRRESA-N 2 2 335.452 1.030 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000371043908 446593236 /nfs/dbraw/zinc/59/32/36/446593236.db2.gz MZFLWRURXXYIKJ-CABCVRRESA-N 2 2 335.452 1.030 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000371043323 446593695 /nfs/dbraw/zinc/59/36/95/446593695.db2.gz MTGXPGQEEJULII-HNNXBMFYSA-N 2 2 342.443 1.990 20 0 EDADLP Cc1ccncc1CCC[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000368014884 446619778 /nfs/dbraw/zinc/61/97/78/446619778.db2.gz HKRGUXHEWMMKEW-ICSRJNTNSA-N 2 2 346.519 1.659 20 0 EDADLP Cc1ccncc1CCC[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000368014884 446619780 /nfs/dbraw/zinc/61/97/80/446619780.db2.gz HKRGUXHEWMMKEW-ICSRJNTNSA-N 2 2 346.519 1.659 20 0 EDADLP Cc1ccncc1CCC[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000368014884 446619784 /nfs/dbraw/zinc/61/97/84/446619784.db2.gz HKRGUXHEWMMKEW-ICSRJNTNSA-N 2 2 346.519 1.659 20 0 EDADLP Cc1ccncc1CCC[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000368014884 446619786 /nfs/dbraw/zinc/61/97/86/446619786.db2.gz HKRGUXHEWMMKEW-ICSRJNTNSA-N 2 2 346.519 1.659 20 0 EDADLP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@@H](C)[NH+]2CCN(C)CC2)cc1 ZINC000423615371 446606888 /nfs/dbraw/zinc/60/68/88/446606888.db2.gz RBBGFWMVLNJACQ-VQIMIIECSA-N 2 2 344.503 1.358 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375173642 446622645 /nfs/dbraw/zinc/62/26/45/446622645.db2.gz KGSYLTFCERMSKF-HNNXBMFYSA-N 2 2 348.495 1.045 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375173642 446622651 /nfs/dbraw/zinc/62/26/51/446622651.db2.gz KGSYLTFCERMSKF-HNNXBMFYSA-N 2 2 348.495 1.045 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)cn1 ZINC000423757416 446687414 /nfs/dbraw/zinc/68/74/14/446687414.db2.gz MDEKTHYUDVQCFD-QGZVFWFLSA-N 2 2 347.507 1.716 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)cn1 ZINC000423757416 446687419 /nfs/dbraw/zinc/68/74/19/446687419.db2.gz MDEKTHYUDVQCFD-QGZVFWFLSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)(CNc1nc(N[C@@H]2CCCOC2)cc[nH+]1)[NH+]1CCOCC1 ZINC000435345568 446692113 /nfs/dbraw/zinc/69/21/13/446692113.db2.gz HNZIJXZVYUSFLF-CQSZACIVSA-N 2 2 335.452 1.590 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423821289 446710014 /nfs/dbraw/zinc/71/00/14/446710014.db2.gz HJCPKEUIOLFQHY-DVJZZOLTSA-N 2 2 329.366 1.950 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423821289 446710017 /nfs/dbraw/zinc/71/00/17/446710017.db2.gz HJCPKEUIOLFQHY-DVJZZOLTSA-N 2 2 329.366 1.950 20 0 EDADLP CC(C)CN(C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000371294966 446751609 /nfs/dbraw/zinc/75/16/09/446751609.db2.gz OAILYAISNGRSBA-RCCFBDPRSA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)CN(C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000371294966 446751613 /nfs/dbraw/zinc/75/16/13/446751613.db2.gz OAILYAISNGRSBA-RCCFBDPRSA-N 2 2 337.508 1.817 20 0 EDADLP CN(Cc1ccco1)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295359 446751894 /nfs/dbraw/zinc/75/18/94/446751894.db2.gz QWJJAOHNGDGTLA-DJIMGWMZSA-N 2 2 335.448 1.422 20 0 EDADLP CN(Cc1ccco1)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295359 446751897 /nfs/dbraw/zinc/75/18/97/446751897.db2.gz QWJJAOHNGDGTLA-DJIMGWMZSA-N 2 2 335.448 1.422 20 0 EDADLP C[C@@](O)(C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000371320481 446772229 /nfs/dbraw/zinc/77/22/29/446772229.db2.gz DVPYUWWAOWBRSL-PKOBYXMFSA-N 2 2 331.460 1.308 20 0 EDADLP C[C@@](O)(C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1 ZINC000371320481 446772232 /nfs/dbraw/zinc/77/22/32/446772232.db2.gz DVPYUWWAOWBRSL-PKOBYXMFSA-N 2 2 331.460 1.308 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000376877519 446773662 /nfs/dbraw/zinc/77/36/62/446773662.db2.gz XJACCBOEPPICGS-SFHVURJKSA-N 2 2 349.450 1.579 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000376877519 446773670 /nfs/dbraw/zinc/77/36/70/446773670.db2.gz XJACCBOEPPICGS-SFHVURJKSA-N 2 2 349.450 1.579 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000423923084 446773709 /nfs/dbraw/zinc/77/37/09/446773709.db2.gz XAONGSOHQRKFRO-BARDWOONSA-N 2 2 338.427 1.447 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000423923084 446773715 /nfs/dbraw/zinc/77/37/15/446773715.db2.gz XAONGSOHQRKFRO-BARDWOONSA-N 2 2 338.427 1.447 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423929858 446780738 /nfs/dbraw/zinc/78/07/38/446780738.db2.gz JLBRCMIYNUPAQX-YRXWBPOGSA-N 2 2 345.487 1.892 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423929858 446780743 /nfs/dbraw/zinc/78/07/43/446780743.db2.gz JLBRCMIYNUPAQX-YRXWBPOGSA-N 2 2 345.487 1.892 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C)[C@@H](C)[NH3+])on1 ZINC000423930020 446781714 /nfs/dbraw/zinc/78/17/14/446781714.db2.gz VGWRVPUKKLNPAT-MQYQWHSLSA-N 2 2 326.416 1.337 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C)[C@@H](C)[NH3+])on1 ZINC000423930020 446781721 /nfs/dbraw/zinc/78/17/21/446781721.db2.gz VGWRVPUKKLNPAT-MQYQWHSLSA-N 2 2 326.416 1.337 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423934945 446786784 /nfs/dbraw/zinc/78/67/84/446786784.db2.gz XMJMKRCEIMWNNV-YSHGAJCASA-N 2 2 345.487 1.905 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423934945 446786789 /nfs/dbraw/zinc/78/67/89/446786789.db2.gz XMJMKRCEIMWNNV-YSHGAJCASA-N 2 2 345.487 1.905 20 0 EDADLP CC(C)c1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000438541843 446795298 /nfs/dbraw/zinc/79/52/98/446795298.db2.gz STBRMTMTUHAQRT-UHFFFAOYSA-N 2 2 337.468 2.288 20 0 EDADLP CC(C)c1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000438541843 446795318 /nfs/dbraw/zinc/79/53/18/446795318.db2.gz STBRMTMTUHAQRT-UHFFFAOYSA-N 2 2 337.468 2.288 20 0 EDADLP O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371348299 446795763 /nfs/dbraw/zinc/79/57/63/446795763.db2.gz VEOUGZKNWSMEJC-JKSUJKDBSA-N 2 2 329.448 1.540 20 0 EDADLP O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000371348299 446795770 /nfs/dbraw/zinc/79/57/70/446795770.db2.gz VEOUGZKNWSMEJC-JKSUJKDBSA-N 2 2 329.448 1.540 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000376939367 446811434 /nfs/dbraw/zinc/81/14/34/446811434.db2.gz LTTXIPLKFJFAGL-HNNXBMFYSA-N 2 2 328.420 1.360 20 0 EDADLP Cc1cc(NC(=O)C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)n(C)n1 ZINC000371375581 446814558 /nfs/dbraw/zinc/81/45/58/446814558.db2.gz VMDWQXZBEWEZTH-UHFFFAOYSA-N 2 2 349.479 1.101 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000368349486 446803698 /nfs/dbraw/zinc/80/36/98/446803698.db2.gz RSYVPQCKEUICMC-HUUCEWRRSA-N 2 2 334.420 1.143 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000368349486 446803704 /nfs/dbraw/zinc/80/37/04/446803704.db2.gz RSYVPQCKEUICMC-HUUCEWRRSA-N 2 2 334.420 1.143 20 0 EDADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412147003 446879508 /nfs/dbraw/zinc/87/95/08/446879508.db2.gz GEDLUTFCIRONPK-MHORFTMASA-N 2 2 337.508 1.961 20 0 EDADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412147003 446879513 /nfs/dbraw/zinc/87/95/13/446879513.db2.gz GEDLUTFCIRONPK-MHORFTMASA-N 2 2 337.508 1.961 20 0 EDADLP COC(=O)C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000420916242 446887686 /nfs/dbraw/zinc/88/76/86/446887686.db2.gz NWYMCDHMDAXNSS-SFHVURJKSA-N 2 2 348.443 1.283 20 0 EDADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000420916242 446887691 /nfs/dbraw/zinc/88/76/91/446887691.db2.gz NWYMCDHMDAXNSS-SFHVURJKSA-N 2 2 348.443 1.283 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3nc(COC)no3)CC2)CC1 ZINC000371524138 446912588 /nfs/dbraw/zinc/91/25/88/446912588.db2.gz GFJGEHWFZRUHEY-UHFFFAOYSA-N 2 2 337.468 1.208 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000420940771 446913589 /nfs/dbraw/zinc/91/35/89/446913589.db2.gz RWXMDOIEROJUMR-UHFFFAOYSA-N 2 2 346.471 1.900 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000420940771 446913597 /nfs/dbraw/zinc/91/35/97/446913597.db2.gz RWXMDOIEROJUMR-UHFFFAOYSA-N 2 2 346.471 1.900 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000420965563 446935291 /nfs/dbraw/zinc/93/52/91/446935291.db2.gz POMAMMLPSSUQED-FQEVSTJZSA-N 2 2 346.471 1.900 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000420965563 446935294 /nfs/dbraw/zinc/93/52/94/446935294.db2.gz POMAMMLPSSUQED-FQEVSTJZSA-N 2 2 346.471 1.900 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)C2([NH+]3CCOCC3)CCC2)ccc1F ZINC000368584582 446958647 /nfs/dbraw/zinc/95/86/47/446958647.db2.gz UVNQNCOEAVFOOD-UHFFFAOYSA-N 2 2 349.450 1.758 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000442767188 446960163 /nfs/dbraw/zinc/96/01/63/446960163.db2.gz YAOCDWKITMHGTP-HOCLYGCPSA-N 3 2 336.505 1.061 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000442767188 446960172 /nfs/dbraw/zinc/96/01/72/446960172.db2.gz YAOCDWKITMHGTP-HOCLYGCPSA-N 3 2 336.505 1.061 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442786651 446966783 /nfs/dbraw/zinc/96/67/83/446966783.db2.gz ZTFSBLZUSYYDJO-WKUFJEKOSA-N 2 2 337.508 1.913 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442786651 446966790 /nfs/dbraw/zinc/96/67/90/446966790.db2.gz ZTFSBLZUSYYDJO-WKUFJEKOSA-N 2 2 337.508 1.913 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@@H]4CCOC[C@H]43)c2cc1C ZINC000368630993 446993467 /nfs/dbraw/zinc/99/34/67/446993467.db2.gz GECSAFLOGRRKGY-ATZDWAIDSA-N 2 2 345.443 1.504 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@@H]4CCOC[C@H]43)c2cc1C ZINC000368630993 446993471 /nfs/dbraw/zinc/99/34/71/446993471.db2.gz GECSAFLOGRRKGY-ATZDWAIDSA-N 2 2 345.443 1.504 20 0 EDADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000368691392 447041612 /nfs/dbraw/zinc/04/16/12/447041612.db2.gz DEKVLIVXTDBHNI-RHSMWYFYSA-N 2 2 337.489 1.785 20 0 EDADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000368691392 447041623 /nfs/dbraw/zinc/04/16/23/447041623.db2.gz DEKVLIVXTDBHNI-RHSMWYFYSA-N 2 2 337.489 1.785 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C1 ZINC000413190333 447058036 /nfs/dbraw/zinc/05/80/36/447058036.db2.gz ZYQZKNQWLIRFSS-CABCVRRESA-N 2 2 337.468 1.206 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)C1 ZINC000413190333 447058044 /nfs/dbraw/zinc/05/80/44/447058044.db2.gz ZYQZKNQWLIRFSS-CABCVRRESA-N 2 2 337.468 1.206 20 0 EDADLP C[C@H]1CN(C(=O)CCCn2cccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377259558 447024047 /nfs/dbraw/zinc/02/40/47/447024047.db2.gz WLSSVVLNEFBXKS-KRWDZBQOSA-N 2 2 332.492 1.895 20 0 EDADLP C[C@H]1CN(C(=O)CCCn2cccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377259558 447024056 /nfs/dbraw/zinc/02/40/56/447024056.db2.gz WLSSVVLNEFBXKS-KRWDZBQOSA-N 2 2 332.492 1.895 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000421298091 447111419 /nfs/dbraw/zinc/11/14/19/447111419.db2.gz MIAQSQCTCRQEDA-MRXNPFEDSA-N 2 2 341.415 1.363 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000421298091 447111426 /nfs/dbraw/zinc/11/14/26/447111426.db2.gz MIAQSQCTCRQEDA-MRXNPFEDSA-N 2 2 341.415 1.363 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cc2c[nH+]c(N(C)C)n2C)C[C@H](C)O1 ZINC000425328843 447116871 /nfs/dbraw/zinc/11/68/71/447116871.db2.gz SITPWQYXBQILLS-OWCLPIDISA-N 2 2 335.496 1.560 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2c[nH+]c(N(C)C)n2C)C[C@H](C)O1 ZINC000425328843 447116880 /nfs/dbraw/zinc/11/68/80/447116880.db2.gz SITPWQYXBQILLS-OWCLPIDISA-N 2 2 335.496 1.560 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(CC4CC4)n3C)CC2)CC1 ZINC000421269935 447091562 /nfs/dbraw/zinc/09/15/62/447091562.db2.gz ZVQGPNSYKWYAQE-UHFFFAOYSA-N 2 2 346.523 1.764 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(CC4CC4)n3C)CC2)CC1 ZINC000421269935 447091569 /nfs/dbraw/zinc/09/15/69/447091569.db2.gz ZVQGPNSYKWYAQE-UHFFFAOYSA-N 2 2 346.523 1.764 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)n1C ZINC000425384332 447136421 /nfs/dbraw/zinc/13/64/21/447136421.db2.gz QFESKMJTCPATRA-AWEZNQCLSA-N 2 2 345.447 1.721 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)n1C ZINC000425384332 447136426 /nfs/dbraw/zinc/13/64/26/447136426.db2.gz QFESKMJTCPATRA-AWEZNQCLSA-N 2 2 345.447 1.721 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000372567578 447147919 /nfs/dbraw/zinc/14/79/19/447147919.db2.gz VKMURHCHVMVLHD-KXBFYZLASA-N 2 2 331.460 1.227 20 0 EDADLP C[N@H+](CCCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C1CC1 ZINC000413346392 447154004 /nfs/dbraw/zinc/15/40/04/447154004.db2.gz HUGXIKXPVGWEOT-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP C[N@@H+](CCCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C1CC1 ZINC000413346392 447154009 /nfs/dbraw/zinc/15/40/09/447154009.db2.gz HUGXIKXPVGWEOT-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP C[N@H+](CCCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CC1 ZINC000413346392 447154015 /nfs/dbraw/zinc/15/40/15/447154015.db2.gz HUGXIKXPVGWEOT-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP C[N@@H+](CCCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CC1 ZINC000413346392 447154021 /nfs/dbraw/zinc/15/40/21/447154021.db2.gz HUGXIKXPVGWEOT-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)[NH+](C)C ZINC000455441218 447131031 /nfs/dbraw/zinc/13/10/31/447131031.db2.gz MJLKMBCOYVKPJS-JEZWAEDTSA-N 2 2 330.476 1.977 20 0 EDADLP COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425376431 447131933 /nfs/dbraw/zinc/13/19/33/447131933.db2.gz FCLRUTKHPCTSFF-LJQANCHMSA-N 2 2 342.443 1.803 20 0 EDADLP COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425376431 447131938 /nfs/dbraw/zinc/13/19/38/447131938.db2.gz FCLRUTKHPCTSFF-LJQANCHMSA-N 2 2 342.443 1.803 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](n4cncn4)C3)c2cc1C ZINC000368862710 447166661 /nfs/dbraw/zinc/16/66/61/447166661.db2.gz KFCLCMLDSVLSAH-HZPDHXFCSA-N 2 2 340.431 1.553 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](n4cncn4)C3)c2cc1C ZINC000368862710 447166665 /nfs/dbraw/zinc/16/66/65/447166665.db2.gz KFCLCMLDSVLSAH-HZPDHXFCSA-N 2 2 340.431 1.553 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000375963336 447177684 /nfs/dbraw/zinc/17/76/84/447177684.db2.gz SYVRALSCRRBYLN-HZPDHXFCSA-N 2 2 349.479 1.513 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000375963336 447177687 /nfs/dbraw/zinc/17/76/87/447177687.db2.gz SYVRALSCRRBYLN-HZPDHXFCSA-N 2 2 349.479 1.513 20 0 EDADLP CCN1CCN(C(=O)NCCCC[N@H+](C)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000455599638 447180844 /nfs/dbraw/zinc/18/08/44/447180844.db2.gz AENUTZVIPURJCG-MRXNPFEDSA-N 2 2 348.495 1.672 20 0 EDADLP CCN1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000455599638 447180851 /nfs/dbraw/zinc/18/08/51/447180851.db2.gz AENUTZVIPURJCG-MRXNPFEDSA-N 2 2 348.495 1.672 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CCN(c3nc4c(cnn4C)c(N)[nH+]3)C2)c1 ZINC000368913095 447198802 /nfs/dbraw/zinc/19/88/02/447198802.db2.gz KCWIYVIWHZMINQ-GFCCVEGCSA-N 2 2 338.419 1.587 20 0 EDADLP C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000369047007 447286368 /nfs/dbraw/zinc/28/63/68/447286368.db2.gz KEAKQXQDZJKKJF-HNNXBMFYSA-N 2 2 328.420 1.503 20 0 EDADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377630560 447257728 /nfs/dbraw/zinc/25/77/28/447257728.db2.gz RXJKRJZXRCBSOM-DQYPLSBCSA-N 2 2 329.400 1.850 20 0 EDADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000377630560 447257733 /nfs/dbraw/zinc/25/77/33/447257733.db2.gz RXJKRJZXRCBSOM-DQYPLSBCSA-N 2 2 329.400 1.850 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000372820580 447301950 /nfs/dbraw/zinc/30/19/50/447301950.db2.gz IGXGEVYKSWNYRC-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000372820580 447301955 /nfs/dbraw/zinc/30/19/55/447301955.db2.gz IGXGEVYKSWNYRC-QGZVFWFLSA-N 2 2 337.508 1.868 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000372819561 447300421 /nfs/dbraw/zinc/30/04/21/447300421.db2.gz AFAIWZBDQRZEEM-KBPBESRZSA-N 2 2 328.420 1.312 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000458862920 447491802 /nfs/dbraw/zinc/49/18/02/447491802.db2.gz IUKAUZUJRBZSFP-CWRNSKLLSA-N 2 2 326.460 1.687 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000458862920 447491807 /nfs/dbraw/zinc/49/18/07/447491807.db2.gz IUKAUZUJRBZSFP-CWRNSKLLSA-N 2 2 326.460 1.687 20 0 EDADLP [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CCCCC1 ZINC000419964600 447518601 /nfs/dbraw/zinc/51/86/01/447518601.db2.gz IWKZNRUFURQIGA-GJZGRUSLSA-N 2 2 347.463 1.140 20 0 EDADLP COC(=O)C1(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000450785627 447575747 /nfs/dbraw/zinc/57/57/47/447575747.db2.gz BHMMRJHKBUOXCS-GOEBONIOSA-N 2 2 334.464 1.688 20 0 EDADLP COC(=O)C1(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000450785627 447575753 /nfs/dbraw/zinc/57/57/53/447575753.db2.gz BHMMRJHKBUOXCS-GOEBONIOSA-N 2 2 334.464 1.688 20 0 EDADLP COC(=O)C1(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000450785627 447575757 /nfs/dbraw/zinc/57/57/57/447575757.db2.gz BHMMRJHKBUOXCS-GOEBONIOSA-N 2 2 334.464 1.688 20 0 EDADLP COC(=O)C1(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000450785627 447575762 /nfs/dbraw/zinc/57/57/62/447575762.db2.gz BHMMRJHKBUOXCS-GOEBONIOSA-N 2 2 334.464 1.688 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000420077418 447587540 /nfs/dbraw/zinc/58/75/40/447587540.db2.gz CHOXXMGYHHJIQS-INIZCTEOSA-N 2 2 346.475 1.135 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000420077418 447587549 /nfs/dbraw/zinc/58/75/49/447587549.db2.gz CHOXXMGYHHJIQS-INIZCTEOSA-N 2 2 346.475 1.135 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000459354987 447643766 /nfs/dbraw/zinc/64/37/66/447643766.db2.gz VSWZXXPNPSVTPS-UHFFFAOYSA-N 2 2 348.472 1.406 20 0 EDADLP COCCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC[NH+](C)CC1 ZINC000427778358 447648434 /nfs/dbraw/zinc/64/84/34/447648434.db2.gz LYHWSXDCDPNCOK-OAHLLOKOSA-N 2 2 334.464 1.405 20 0 EDADLP Nc1cc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000404187692 447596561 /nfs/dbraw/zinc/59/65/61/447596561.db2.gz JSJBPMKMJRYEIM-RTBURBONSA-N 2 2 338.455 1.969 20 0 EDADLP Nc1cc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000404187692 447596567 /nfs/dbraw/zinc/59/65/67/447596567.db2.gz JSJBPMKMJRYEIM-RTBURBONSA-N 2 2 338.455 1.969 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459171732 447604662 /nfs/dbraw/zinc/60/46/62/447604662.db2.gz XUHLZGQUTNSAJC-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000459171732 447604670 /nfs/dbraw/zinc/60/46/70/447604670.db2.gz XUHLZGQUTNSAJC-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000416870653 447700681 /nfs/dbraw/zinc/70/06/81/447700681.db2.gz WMUVRJPUNHKNJA-CRAIPNDOSA-N 2 2 346.475 1.445 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422588184 447656564 /nfs/dbraw/zinc/65/65/64/447656564.db2.gz JVOMECIFGBCMPA-SJORKVTESA-N 2 2 344.459 1.400 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422588184 447656570 /nfs/dbraw/zinc/65/65/70/447656570.db2.gz JVOMECIFGBCMPA-SJORKVTESA-N 2 2 344.459 1.400 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc(C)[nH+]1 ZINC000422590077 447658689 /nfs/dbraw/zinc/65/86/89/447658689.db2.gz ODMYRPKKJINIHJ-QGZVFWFLSA-N 2 2 346.475 1.647 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc(C)[nH+]1 ZINC000422590077 447658694 /nfs/dbraw/zinc/65/86/94/447658694.db2.gz ODMYRPKKJINIHJ-QGZVFWFLSA-N 2 2 346.475 1.647 20 0 EDADLP COc1cc2nc(NCC[C@H]3CCC[NH2+]C3)[nH+]c(N)c2cc1OC ZINC000420186021 447660748 /nfs/dbraw/zinc/66/07/48/447660748.db2.gz CEMHQVCXTFPNCG-LLVKDONJSA-N 2 2 331.420 1.453 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416808567 447688921 /nfs/dbraw/zinc/68/89/21/447688921.db2.gz IILCLRMVUKEDHL-SJLPKXTDSA-N 2 2 348.491 1.704 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416808567 447688924 /nfs/dbraw/zinc/68/89/24/447688924.db2.gz IILCLRMVUKEDHL-SJLPKXTDSA-N 2 2 348.491 1.704 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(F)F ZINC000416939503 447717278 /nfs/dbraw/zinc/71/72/78/447717278.db2.gz NDESQYVFBFQXEP-GFCCVEGCSA-N 2 2 327.379 1.464 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000422708375 447722969 /nfs/dbraw/zinc/72/29/69/447722969.db2.gz BVOXPAXVYUCTPB-YJBOKZPZSA-N 2 2 331.460 1.666 20 0 EDADLP O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422734602 447732686 /nfs/dbraw/zinc/73/26/86/447732686.db2.gz UFGJYZTWBGLZQJ-GOSISDBHSA-N 2 2 346.475 1.321 20 0 EDADLP O=C(NCCC[NH2+]Cc1cccnc1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422734602 447732691 /nfs/dbraw/zinc/73/26/91/447732691.db2.gz UFGJYZTWBGLZQJ-GOSISDBHSA-N 2 2 346.475 1.321 20 0 EDADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422743514 447736340 /nfs/dbraw/zinc/73/63/40/447736340.db2.gz UDVCTLTWWIZSJN-RDTXWAMCSA-N 2 2 347.484 1.643 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417221956 447737220 /nfs/dbraw/zinc/73/72/20/447737220.db2.gz PEXHKMMSQJACEB-RKDXNWHRSA-N 2 2 340.225 1.632 20 0 EDADLP CC[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422752586 447739455 /nfs/dbraw/zinc/73/94/55/447739455.db2.gz BJLYDYGGVYDSJD-ROUUACIJSA-N 2 2 330.476 1.455 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000422798913 447753234 /nfs/dbraw/zinc/75/32/34/447753234.db2.gz UEYUMCGOCWWQOS-KRWDZBQOSA-N 2 2 348.491 1.382 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000422798913 447753241 /nfs/dbraw/zinc/75/32/41/447753241.db2.gz UEYUMCGOCWWQOS-KRWDZBQOSA-N 2 2 348.491 1.382 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422926170 447774628 /nfs/dbraw/zinc/77/46/28/447774628.db2.gz CPOSDLDBEGPAGQ-WMLDXEAASA-N 2 2 339.505 1.947 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)c(C)c1 ZINC000430549836 447776039 /nfs/dbraw/zinc/77/60/39/447776039.db2.gz JNZDCEXUWAILRQ-IBGZPJMESA-N 2 2 348.491 1.630 20 0 EDADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(=O)NCCc1ccccc1 ZINC000422933484 447776252 /nfs/dbraw/zinc/77/62/52/447776252.db2.gz HUYULUJEPLIKRP-VQIMIIECSA-N 2 2 325.456 1.893 20 0 EDADLP C[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)CC(C)(C)C[NH3+] ZINC000430553678 447776493 /nfs/dbraw/zinc/77/64/93/447776493.db2.gz LLDVXCALUDMAKF-UHFFFAOYSA-N 2 2 346.475 1.112 20 0 EDADLP C[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)CC(C)(C)C[NH3+] ZINC000430553678 447776497 /nfs/dbraw/zinc/77/64/97/447776497.db2.gz LLDVXCALUDMAKF-UHFFFAOYSA-N 2 2 346.475 1.112 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)CC2)c1 ZINC000430555638 447777618 /nfs/dbraw/zinc/77/76/18/447777618.db2.gz PDBXDHXZNLFBIH-IBGZPJMESA-N 2 2 332.492 1.607 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000430560624 447779843 /nfs/dbraw/zinc/77/98/43/447779843.db2.gz WVFCKSMBFOOUCW-FUHWJXTLSA-N 2 2 335.423 1.443 20 0 EDADLP O=C(NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000422956937 447780924 /nfs/dbraw/zinc/78/09/24/447780924.db2.gz ROOQVUSEIIJKKE-GOEBONIOSA-N 2 2 339.386 1.051 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000422958733 447781050 /nfs/dbraw/zinc/78/10/50/447781050.db2.gz YYIRPIINVUPJGT-VXGBXAGGSA-N 2 2 327.375 1.051 20 0 EDADLP C[N@H+](CC(=O)Nc1ccccc1SCC(N)=O)CC(C)(C)C[NH3+] ZINC000430578039 447781100 /nfs/dbraw/zinc/78/11/00/447781100.db2.gz OTVIPIMAAFTGMU-UHFFFAOYSA-N 2 2 338.477 1.119 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccccc1SCC(N)=O)CC(C)(C)C[NH3+] ZINC000430578039 447781103 /nfs/dbraw/zinc/78/11/03/447781103.db2.gz OTVIPIMAAFTGMU-UHFFFAOYSA-N 2 2 338.477 1.119 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC[NH2+]CC1 ZINC000422986687 447788259 /nfs/dbraw/zinc/78/82/59/447788259.db2.gz DFAXEGPDRJMSDR-PMPSAXMXSA-N 3 2 325.497 1.626 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)CC[NH2+]CC1 ZINC000422986687 447788261 /nfs/dbraw/zinc/78/82/61/447788261.db2.gz DFAXEGPDRJMSDR-PMPSAXMXSA-N 3 2 325.497 1.626 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000431413513 447803072 /nfs/dbraw/zinc/80/30/72/447803072.db2.gz KBFOKQZQKIAOOQ-OAHLLOKOSA-N 2 2 345.422 1.455 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000431413513 447803074 /nfs/dbraw/zinc/80/30/74/447803074.db2.gz KBFOKQZQKIAOOQ-OAHLLOKOSA-N 2 2 345.422 1.455 20 0 EDADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)s1 ZINC000423088821 447803131 /nfs/dbraw/zinc/80/31/31/447803131.db2.gz SZEMXUWMNGBLNE-DZGCQCFKSA-N 2 2 344.502 1.398 20 0 EDADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423115397 447808538 /nfs/dbraw/zinc/80/85/38/447808538.db2.gz NEYXRAFHNWLBNG-RYUDHWBXSA-N 2 2 335.832 1.227 20 0 EDADLP C[C@@H](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000569676592 447863385 /nfs/dbraw/zinc/86/33/85/447863385.db2.gz LQJWBACDTUPHLW-FUHWJXTLSA-N 3 2 347.507 1.181 20 0 EDADLP C[C@@H](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000569676592 447863390 /nfs/dbraw/zinc/86/33/90/447863390.db2.gz LQJWBACDTUPHLW-FUHWJXTLSA-N 3 2 347.507 1.181 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)C1 ZINC000575418916 447856608 /nfs/dbraw/zinc/85/66/08/447856608.db2.gz MQESIBDADUAYKV-BZUAXINKSA-N 2 2 332.448 1.642 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)C1 ZINC000575418916 447856613 /nfs/dbraw/zinc/85/66/13/447856613.db2.gz MQESIBDADUAYKV-BZUAXINKSA-N 2 2 332.448 1.642 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000496581331 447826221 /nfs/dbraw/zinc/82/62/21/447826221.db2.gz LDLFNFWLTGEGFR-FVQBIDKESA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000496581331 447826223 /nfs/dbraw/zinc/82/62/23/447826223.db2.gz LDLFNFWLTGEGFR-FVQBIDKESA-N 2 2 339.480 1.695 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523684293 447900361 /nfs/dbraw/zinc/90/03/61/447900361.db2.gz NQPNWDUISAOKHA-QGZVFWFLSA-N 2 2 339.443 1.917 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000523684293 447900366 /nfs/dbraw/zinc/90/03/66/447900366.db2.gz NQPNWDUISAOKHA-QGZVFWFLSA-N 2 2 339.443 1.917 20 0 EDADLP CN(C[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000496774509 447900807 /nfs/dbraw/zinc/90/08/07/447900807.db2.gz DTBKVLZLNSDYIX-AWEZNQCLSA-N 2 2 338.452 1.817 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530812567 447962441 /nfs/dbraw/zinc/96/24/41/447962441.db2.gz AYCNACPQHFCJBC-MAUKXSAKSA-N 2 2 328.416 1.025 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530812567 447962444 /nfs/dbraw/zinc/96/24/44/447962444.db2.gz AYCNACPQHFCJBC-MAUKXSAKSA-N 2 2 328.416 1.025 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569989418 447931601 /nfs/dbraw/zinc/93/16/01/447931601.db2.gz YTVAKLJFDVEEMD-MSOLQXFVSA-N 3 2 344.503 1.388 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569989418 447931606 /nfs/dbraw/zinc/93/16/06/447931606.db2.gz YTVAKLJFDVEEMD-MSOLQXFVSA-N 3 2 344.503 1.388 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569989418 447931608 /nfs/dbraw/zinc/93/16/08/447931608.db2.gz YTVAKLJFDVEEMD-MSOLQXFVSA-N 3 2 344.503 1.388 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000569989418 447931612 /nfs/dbraw/zinc/93/16/12/447931612.db2.gz YTVAKLJFDVEEMD-MSOLQXFVSA-N 3 2 344.503 1.388 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1NC1CCN(CC[NH+](C)C)CC1 ZINC000576121618 447979948 /nfs/dbraw/zinc/97/99/48/447979948.db2.gz HTLRTERXEREQAH-UHFFFAOYSA-N 2 2 333.480 2.109 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000576172472 447991127 /nfs/dbraw/zinc/99/11/27/447991127.db2.gz NKSOEMIBNWQLQO-ZDUSSCGKSA-N 2 2 343.431 1.900 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000576172472 447991133 /nfs/dbraw/zinc/99/11/33/447991133.db2.gz NKSOEMIBNWQLQO-ZDUSSCGKSA-N 2 2 343.431 1.900 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000576172472 447991138 /nfs/dbraw/zinc/99/11/38/447991138.db2.gz NKSOEMIBNWQLQO-ZDUSSCGKSA-N 2 2 343.431 1.900 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000576172472 447991144 /nfs/dbraw/zinc/99/11/44/447991144.db2.gz NKSOEMIBNWQLQO-ZDUSSCGKSA-N 2 2 343.431 1.900 20 0 EDADLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1ccco1 ZINC000496887993 448004776 /nfs/dbraw/zinc/00/47/76/448004776.db2.gz ZEYVVYQEYJPQAQ-LBPRGKRZSA-N 2 2 339.440 1.521 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC[S@](=O)c3ccccc3)C2)CC1 ZINC000525684478 448011289 /nfs/dbraw/zinc/01/12/89/448011289.db2.gz RSVSRURCBISOIN-KOSHJBKYSA-N 2 2 349.544 1.895 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC[S@](=O)c3ccccc3)C2)CC1 ZINC000525684478 448011292 /nfs/dbraw/zinc/01/12/92/448011292.db2.gz RSVSRURCBISOIN-KOSHJBKYSA-N 2 2 349.544 1.895 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)o1 ZINC000576085538 447966361 /nfs/dbraw/zinc/96/63/61/447966361.db2.gz FHJXNINZFVMWRU-SWLSCSKDSA-N 2 2 331.420 1.448 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)C[C@H](C)O1 ZINC000576339217 448030954 /nfs/dbraw/zinc/03/09/54/448030954.db2.gz DUTMZXGVMSQXDY-DAYGRLMNSA-N 2 2 349.475 1.430 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000570645115 448042550 /nfs/dbraw/zinc/04/25/50/448042550.db2.gz BTUUKPKLHJSQFX-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000570645115 448042557 /nfs/dbraw/zinc/04/25/57/448042557.db2.gz BTUUKPKLHJSQFX-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H](C)S1 ZINC000496938424 448052365 /nfs/dbraw/zinc/05/23/65/448052365.db2.gz MHQKPEVVYCZTLS-DVOMOZLQSA-N 2 2 325.478 1.686 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C[C@H](C)S1 ZINC000496938424 448052368 /nfs/dbraw/zinc/05/23/68/448052368.db2.gz MHQKPEVVYCZTLS-DVOMOZLQSA-N 2 2 325.478 1.686 20 0 EDADLP C[NH+](C)C/C=C\C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000491648348 448070681 /nfs/dbraw/zinc/07/06/81/448070681.db2.gz ZPMDGBOSRZSYNR-TWGQIWQCSA-N 2 2 344.459 1.324 20 0 EDADLP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000576587029 448091791 /nfs/dbraw/zinc/09/17/91/448091791.db2.gz DOJNKFCAKUIZDP-QFBILLFUSA-N 2 2 342.443 1.622 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000571047339 448098569 /nfs/dbraw/zinc/09/85/69/448098569.db2.gz SXONFKRKHGEHLU-INIZCTEOSA-N 2 2 333.476 1.899 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000571047339 448098573 /nfs/dbraw/zinc/09/85/73/448098573.db2.gz SXONFKRKHGEHLU-INIZCTEOSA-N 2 2 333.476 1.899 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000531550700 448102476 /nfs/dbraw/zinc/10/24/76/448102476.db2.gz IZPUGQITLWSTIP-ZYHUDNBSSA-N 2 2 345.369 1.727 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000531550700 448102480 /nfs/dbraw/zinc/10/24/80/448102480.db2.gz IZPUGQITLWSTIP-ZYHUDNBSSA-N 2 2 345.369 1.727 20 0 EDADLP CC(=O)Nc1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000571288072 448129175 /nfs/dbraw/zinc/12/91/75/448129175.db2.gz NKCKVQHOMCPEGC-CABCVRRESA-N 2 2 338.477 1.820 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC000576880479 448161684 /nfs/dbraw/zinc/16/16/84/448161684.db2.gz USPICOAJIQMWAZ-SJORKVTESA-N 2 2 333.480 1.461 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)/C=C/C[NH+](C)C)cc1 ZINC000491884714 448144384 /nfs/dbraw/zinc/14/43/84/448144384.db2.gz NAJGYWFQRTZFQX-WRFKIARRSA-N 2 2 331.460 1.602 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1 ZINC000571632679 448182399 /nfs/dbraw/zinc/18/23/99/448182399.db2.gz QTRFRYATVORZON-UHFFFAOYSA-N 2 2 332.448 1.419 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1 ZINC000571632679 448182405 /nfs/dbraw/zinc/18/24/05/448182405.db2.gz QTRFRYATVORZON-UHFFFAOYSA-N 2 2 332.448 1.419 20 0 EDADLP Cn1cc(-c2ncc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cn2)cn1 ZINC000527219639 448185655 /nfs/dbraw/zinc/18/56/55/448185655.db2.gz MNTLKODDTNAFNQ-OAHLLOKOSA-N 2 2 342.447 1.031 20 0 EDADLP Cn1cc(-c2ncc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cn2)cn1 ZINC000527219639 448185657 /nfs/dbraw/zinc/18/56/57/448185657.db2.gz MNTLKODDTNAFNQ-OAHLLOKOSA-N 2 2 342.447 1.031 20 0 EDADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000571656256 448187508 /nfs/dbraw/zinc/18/75/08/448187508.db2.gz CZSARANDFHFXHD-MAUKXSAKSA-N 2 2 346.475 1.316 20 0 EDADLP CCOC(=O)[C@H]1[C@@H]([NH2+]CC[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000497093147 448193359 /nfs/dbraw/zinc/19/33/59/448193359.db2.gz JTPMOWSWPBTXBR-QWHCGFSZSA-N 2 2 329.441 1.079 20 0 EDADLP O=C1O[C@]2(CN1C[N@H+]1CCOC3(CCCCC3)C1)C[NH+]1CCC2CC1 ZINC000497095698 448194847 /nfs/dbraw/zinc/19/48/47/448194847.db2.gz OIAKQILLNHWNPA-IBGZPJMESA-N 2 2 349.475 1.896 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000492495898 448226158 /nfs/dbraw/zinc/22/61/58/448226158.db2.gz ZHUMTOLOCKZMSM-SREVYHEPSA-N 2 2 340.431 1.702 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514940292 448229528 /nfs/dbraw/zinc/22/95/28/448229528.db2.gz RXGCYARXUTUIDY-HNAYVOBHSA-N 2 2 331.460 1.775 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514940292 448229533 /nfs/dbraw/zinc/22/95/33/448229533.db2.gz RXGCYARXUTUIDY-HNAYVOBHSA-N 2 2 331.460 1.775 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000515048290 448248762 /nfs/dbraw/zinc/24/87/62/448248762.db2.gz IKWPBAKVXQSTDF-CLCXKQKWSA-N 2 2 340.471 1.870 20 0 EDADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000577270599 448252102 /nfs/dbraw/zinc/25/21/02/448252102.db2.gz GDGSVPIBJIUXEE-IEBWSBKVSA-N 2 2 341.459 1.986 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2nc(-c3ccsc3)no2)CC12CCOCC2 ZINC000515352262 448296658 /nfs/dbraw/zinc/29/66/58/448296658.db2.gz QYENKFCUUMFLTD-CYBMUJFWSA-N 2 2 334.445 1.985 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(-c3ccsc3)no2)CC12CCOCC2 ZINC000515352262 448296660 /nfs/dbraw/zinc/29/66/60/448296660.db2.gz QYENKFCUUMFLTD-CYBMUJFWSA-N 2 2 334.445 1.985 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000515671577 448342742 /nfs/dbraw/zinc/34/27/42/448342742.db2.gz NTEHQIAZGRAGMD-FZMZJTMJSA-N 2 2 327.436 1.399 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000515671577 448342745 /nfs/dbraw/zinc/34/27/45/448342745.db2.gz NTEHQIAZGRAGMD-FZMZJTMJSA-N 2 2 327.436 1.399 20 0 EDADLP Cc1noc(C)c1C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582841012 448354579 /nfs/dbraw/zinc/35/45/79/448354579.db2.gz UXRQKUYZSWSMMQ-BCUIYNNISA-N 2 2 325.453 1.282 20 0 EDADLP Cc1noc(C)c1C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582841012 448354583 /nfs/dbraw/zinc/35/45/83/448354583.db2.gz UXRQKUYZSWSMMQ-BCUIYNNISA-N 2 2 325.453 1.282 20 0 EDADLP O[C@@H](CNCC[NH+]1CCC2(CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000582841254 448355510 /nfs/dbraw/zinc/35/55/10/448355510.db2.gz CSISOGIHTIJHFS-SFHVURJKSA-N 2 2 339.524 1.315 20 0 EDADLP COc1ccc[nH+]c1N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000527888462 448383626 /nfs/dbraw/zinc/38/36/26/448383626.db2.gz SFWDJFWWFHXVNG-UHFFFAOYSA-N 2 2 332.448 1.471 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000591573244 448393509 /nfs/dbraw/zinc/39/35/09/448393509.db2.gz ODPLIBFGFAYKLS-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000591573244 448393514 /nfs/dbraw/zinc/39/35/14/448393514.db2.gz ODPLIBFGFAYKLS-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000591573244 448393517 /nfs/dbraw/zinc/39/35/17/448393517.db2.gz ODPLIBFGFAYKLS-BZUAXINKSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000577831451 448394632 /nfs/dbraw/zinc/39/46/32/448394632.db2.gz LMTNDTCWUIUCCQ-AAEUAGOBSA-N 2 2 342.390 1.633 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(OC(F)F)c1 ZINC000577831451 448394634 /nfs/dbraw/zinc/39/46/34/448394634.db2.gz LMTNDTCWUIUCCQ-AAEUAGOBSA-N 2 2 342.390 1.633 20 0 EDADLP COc1ccc2cccc(CC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2c1 ZINC000566200288 448413838 /nfs/dbraw/zinc/41/38/38/448413838.db2.gz JIAWREIOQXOZHV-MRXNPFEDSA-N 2 2 327.428 1.492 20 0 EDADLP COc1ccc2cccc(CC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2c1 ZINC000566200288 448413842 /nfs/dbraw/zinc/41/38/42/448413842.db2.gz JIAWREIOQXOZHV-MRXNPFEDSA-N 2 2 327.428 1.492 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(Br)o2)[C@H](C[NH3+])C1 ZINC000493141933 448374158 /nfs/dbraw/zinc/37/41/58/448374158.db2.gz UAOMRTKSZZRLQZ-RXNUUUNCSA-N 2 2 328.210 1.157 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(Br)o2)[C@H](C[NH3+])C1 ZINC000493141933 448374164 /nfs/dbraw/zinc/37/41/64/448374164.db2.gz UAOMRTKSZZRLQZ-RXNUUUNCSA-N 2 2 328.210 1.157 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380253 /nfs/dbraw/zinc/38/02/53/448380253.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 3 2 343.515 1.868 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380257 /nfs/dbraw/zinc/38/02/57/448380257.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380263 /nfs/dbraw/zinc/38/02/63/448380263.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 3 2 343.515 1.868 20 0 EDADLP C[NH+]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380269 /nfs/dbraw/zinc/38/02/69/448380269.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 3 2 343.515 1.868 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000534862092 448470144 /nfs/dbraw/zinc/47/01/44/448470144.db2.gz FYWKPIKQQZHKFR-GJZGRUSLSA-N 2 2 332.448 1.594 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000578043127 448448586 /nfs/dbraw/zinc/44/85/86/448448586.db2.gz DUTHWUVNWRAYHB-KKUMJFAQSA-N 2 2 331.464 1.580 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000578043127 448448590 /nfs/dbraw/zinc/44/85/90/448448590.db2.gz DUTHWUVNWRAYHB-KKUMJFAQSA-N 2 2 331.464 1.580 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]cn2)C1 ZINC000578043127 448448594 /nfs/dbraw/zinc/44/85/94/448448594.db2.gz DUTHWUVNWRAYHB-KKUMJFAQSA-N 2 2 331.464 1.580 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)[nH+]cn2)C1 ZINC000578043127 448448600 /nfs/dbraw/zinc/44/86/00/448448600.db2.gz DUTHWUVNWRAYHB-KKUMJFAQSA-N 2 2 331.464 1.580 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC[C@@H]3[NH2+]CCCC3(C)C)nc[nH+]2)C1 ZINC000578055146 448449995 /nfs/dbraw/zinc/44/99/95/448449995.db2.gz FBKYXHHIHCDQLA-ZNMIVQPWSA-N 2 2 333.480 1.874 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(OC[C@@H]2CCOC2)c1 ZINC000572834729 448474459 /nfs/dbraw/zinc/47/44/59/448474459.db2.gz YBQASJYAJNSRAX-APWZRJJASA-N 2 2 348.487 1.955 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(OC[C@@H]2CCOC2)c1 ZINC000572834729 448474462 /nfs/dbraw/zinc/47/44/62/448474462.db2.gz YBQASJYAJNSRAX-APWZRJJASA-N 2 2 348.487 1.955 20 0 EDADLP C[N@H+](CC(=O)NCC1CC[NH+](CC(F)F)CC1)[C@@H]1CCSC1 ZINC000516785375 448474635 /nfs/dbraw/zinc/47/46/35/448474635.db2.gz WSCGKOFMFVFVJZ-CYBMUJFWSA-N 2 2 335.464 1.517 20 0 EDADLP C[N@@H+](CC(=O)NCC1CC[NH+](CC(F)F)CC1)[C@@H]1CCSC1 ZINC000516785375 448474641 /nfs/dbraw/zinc/47/46/41/448474641.db2.gz WSCGKOFMFVFVJZ-CYBMUJFWSA-N 2 2 335.464 1.517 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000572839889 448477321 /nfs/dbraw/zinc/47/73/21/448477321.db2.gz APNDQYMSMHJVBQ-XHSDSOJGSA-N 2 2 325.497 1.770 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H](C)O1 ZINC000578195805 448482192 /nfs/dbraw/zinc/48/21/92/448482192.db2.gz MUQXGYULISDRFK-KONPQCLYSA-N 2 2 346.475 1.546 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000584341679 448490999 /nfs/dbraw/zinc/49/09/99/448490999.db2.gz IJUYIZRLFSGLQV-ZBFHGGJFSA-N 2 2 344.459 1.265 20 0 EDADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000584341679 448491005 /nfs/dbraw/zinc/49/10/05/448491005.db2.gz IJUYIZRLFSGLQV-ZBFHGGJFSA-N 2 2 344.459 1.265 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534862934 448472856 /nfs/dbraw/zinc/47/28/56/448472856.db2.gz RRQPERQUNGYGRO-CYBMUJFWSA-N 2 2 326.404 1.775 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000516915694 448495764 /nfs/dbraw/zinc/49/57/64/448495764.db2.gz ADMJKOONFIWVCS-INIZCTEOSA-N 2 2 336.399 1.585 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535658313 448497021 /nfs/dbraw/zinc/49/70/21/448497021.db2.gz NZTUTZRZZXPBLN-MRXNPFEDSA-N 2 2 342.443 1.672 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535658313 448497029 /nfs/dbraw/zinc/49/70/29/448497029.db2.gz NZTUTZRZZXPBLN-MRXNPFEDSA-N 2 2 342.443 1.672 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)C1 ZINC000528419637 448521803 /nfs/dbraw/zinc/52/18/03/448521803.db2.gz ZLCMTZCKFMPDHI-RTBURBONSA-N 2 2 348.535 1.632 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCN(C4CCCCC4)C3=O)CC2)C1 ZINC000528419637 448521806 /nfs/dbraw/zinc/52/18/06/448521806.db2.gz ZLCMTZCKFMPDHI-RTBURBONSA-N 2 2 348.535 1.632 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)C1 ZINC000528419629 448522074 /nfs/dbraw/zinc/52/20/74/448522074.db2.gz ZLCMTZCKFMPDHI-OALUTQOASA-N 2 2 348.535 1.632 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)C1 ZINC000528419629 448522080 /nfs/dbraw/zinc/52/20/80/448522080.db2.gz ZLCMTZCKFMPDHI-OALUTQOASA-N 2 2 348.535 1.632 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCC(=O)c2ccccc2)C1 ZINC000566627586 448524112 /nfs/dbraw/zinc/52/41/12/448524112.db2.gz BFXLYZJDJASLHF-HNNXBMFYSA-N 2 2 326.400 1.209 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCC(=O)c2ccccc2)C1 ZINC000566627586 448524119 /nfs/dbraw/zinc/52/41/19/448524119.db2.gz BFXLYZJDJASLHF-HNNXBMFYSA-N 2 2 326.400 1.209 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000517243951 448562852 /nfs/dbraw/zinc/56/28/52/448562852.db2.gz UQUCBZQVEJUIOT-CYBMUJFWSA-N 2 2 342.403 1.269 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000578545612 448576152 /nfs/dbraw/zinc/57/61/52/448576152.db2.gz XKIVHSPSLPPEFL-HOCLYGCPSA-N 2 2 337.439 1.865 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)CCCOc1ccc(F)cc1 ZINC000578545612 448576159 /nfs/dbraw/zinc/57/61/59/448576159.db2.gz XKIVHSPSLPPEFL-HOCLYGCPSA-N 2 2 337.439 1.865 20 0 EDADLP OCCNc1nc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)[nH+]c2ccccc21 ZINC000538088377 448576838 /nfs/dbraw/zinc/57/68/38/448576838.db2.gz NZYGZCHTWGUSGW-ZDUSSCGKSA-N 2 2 338.415 2.141 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000573090398 448540792 /nfs/dbraw/zinc/54/07/92/448540792.db2.gz CVFFNBDKXMFYTE-MJBXVCDLSA-N 2 2 335.452 1.199 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[C@@H](Oc3cc[nH+]cc3)C1)CC2 ZINC000573126226 448552061 /nfs/dbraw/zinc/55/20/61/448552061.db2.gz LCCSAXARPGJTBT-WMLDXEAASA-N 2 2 326.400 1.829 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000517754677 448615091 /nfs/dbraw/zinc/61/50/91/448615091.db2.gz CYXQPWRCBYODCD-SJLPKXTDSA-N 2 2 345.487 1.663 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000517754677 448615097 /nfs/dbraw/zinc/61/50/97/448615097.db2.gz CYXQPWRCBYODCD-SJLPKXTDSA-N 2 2 345.487 1.663 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000584769653 448624410 /nfs/dbraw/zinc/62/44/10/448624410.db2.gz XPXPJXWAVDFDKJ-YCPHGPKFSA-N 2 2 327.432 1.901 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)C[C@@H]1C ZINC000578569516 448581605 /nfs/dbraw/zinc/58/16/05/448581605.db2.gz OPFPEQHZVJXMJI-DZGCQCFKSA-N 2 2 335.452 1.233 20 0 EDADLP COCC[N@H+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)C[C@@H]1C ZINC000578569516 448581613 /nfs/dbraw/zinc/58/16/13/448581613.db2.gz OPFPEQHZVJXMJI-DZGCQCFKSA-N 2 2 335.452 1.233 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(NC[C@@H]2CCCC[N@@H+]2C2CC2)[nH+]1 ZINC000517550336 448591823 /nfs/dbraw/zinc/59/18/23/448591823.db2.gz MGUMWTCQNPXTQD-ZBFHGGJFSA-N 2 2 331.464 2.496 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(NC[C@@H]2CCCC[N@H+]2C2CC2)[nH+]1 ZINC000517550336 448591827 /nfs/dbraw/zinc/59/18/27/448591827.db2.gz MGUMWTCQNPXTQD-ZBFHGGJFSA-N 2 2 331.464 2.496 20 0 EDADLP CCN(CCSC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591941106 448592274 /nfs/dbraw/zinc/59/22/74/448592274.db2.gz WMKXETIJZHYVLF-AWEZNQCLSA-N 2 2 328.526 1.549 20 0 EDADLP CCN(CCSC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591941106 448592276 /nfs/dbraw/zinc/59/22/76/448592276.db2.gz WMKXETIJZHYVLF-AWEZNQCLSA-N 2 2 328.526 1.549 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC[C@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000573318199 448595347 /nfs/dbraw/zinc/59/53/47/448595347.db2.gz LOWXGXHHLSGBBF-AOIWGVFYSA-N 2 2 335.492 1.269 20 0 EDADLP C[NH+]1CCN(c2ncc(CNc3cc4c(c[nH+]3)CCCC4)cn2)CC1 ZINC000567040077 448602748 /nfs/dbraw/zinc/60/27/48/448602748.db2.gz NACBYURGYBIKIR-UHFFFAOYSA-N 2 2 338.459 2.114 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1Cl ZINC000567249307 448649724 /nfs/dbraw/zinc/64/97/24/448649724.db2.gz RXBJVCFZHHHJMB-ZYHUDNBSSA-N 2 2 328.819 1.824 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000578848260 448649993 /nfs/dbraw/zinc/64/99/93/448649993.db2.gz BBWQSWSLMDVSJY-QZTJIDSGSA-N 2 2 346.475 1.420 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000578860661 448654631 /nfs/dbraw/zinc/65/46/31/448654631.db2.gz ANTVFLAYOWGGTG-MBNYWOFBSA-N 2 2 346.393 1.706 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000578860661 448654634 /nfs/dbraw/zinc/65/46/34/448654634.db2.gz ANTVFLAYOWGGTG-MBNYWOFBSA-N 2 2 346.393 1.706 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)c2cc1C ZINC000573444811 448629429 /nfs/dbraw/zinc/62/94/29/448629429.db2.gz GDPAAXFGWRVBTF-CHWSQXEVSA-N 2 2 345.365 1.917 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000528686988 448631029 /nfs/dbraw/zinc/63/10/29/448631029.db2.gz BWJGVFZNHJCPLG-OAHLLOKOSA-N 2 2 328.420 1.788 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC)C1)[NH+]1CCOCC1 ZINC000541720240 448686676 /nfs/dbraw/zinc/68/66/76/448686676.db2.gz NHRDVSULGDLHBZ-WMZOPIPTSA-N 2 2 339.524 1.972 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC)C1)[NH+]1CCOCC1 ZINC000541720240 448686684 /nfs/dbraw/zinc/68/66/84/448686684.db2.gz NHRDVSULGDLHBZ-WMZOPIPTSA-N 2 2 339.524 1.972 20 0 EDADLP CC(C)[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000573677002 448686699 /nfs/dbraw/zinc/68/66/99/448686699.db2.gz YTTQGXSKAWTUIJ-JFRXWTBNSA-N 2 2 335.492 1.881 20 0 EDADLP CC(C)[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccnc1 ZINC000573677002 448686706 /nfs/dbraw/zinc/68/67/06/448686706.db2.gz YTTQGXSKAWTUIJ-JFRXWTBNSA-N 2 2 335.492 1.881 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000579003957 448692678 /nfs/dbraw/zinc/69/26/78/448692678.db2.gz PVIBUUAUPUHEHU-HQSKLWIPSA-N 2 2 334.508 1.146 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000518768152 448707440 /nfs/dbraw/zinc/70/74/40/448707440.db2.gz AYMGNPNUWPHXAL-AWEZNQCLSA-N 2 2 338.415 2.104 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(c3cc[nH+]c(C)n3)CC1)CC2 ZINC000573807665 448718673 /nfs/dbraw/zinc/71/86/73/448718673.db2.gz DZXCJBUFHAJVJL-HNNXBMFYSA-N 2 2 340.431 1.201 20 0 EDADLP C[C@@H](CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000579117609 448719523 /nfs/dbraw/zinc/71/95/23/448719523.db2.gz NCEVVLNKABMADJ-QFBILLFUSA-N 2 2 342.443 1.587 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000592092652 448677014 /nfs/dbraw/zinc/67/70/14/448677014.db2.gz AVZWGNOJBLJCSF-OAHLLOKOSA-N 2 2 330.432 1.412 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000592092652 448677017 /nfs/dbraw/zinc/67/70/17/448677017.db2.gz AVZWGNOJBLJCSF-OAHLLOKOSA-N 2 2 330.432 1.412 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000579324856 448765651 /nfs/dbraw/zinc/76/56/51/448765651.db2.gz ZCELSVNSSHQSSX-MRXNPFEDSA-N 2 2 331.420 1.244 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000579324856 448765656 /nfs/dbraw/zinc/76/56/56/448765656.db2.gz ZCELSVNSSHQSSX-MRXNPFEDSA-N 2 2 331.420 1.244 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000567817361 448767404 /nfs/dbraw/zinc/76/74/04/448767404.db2.gz GSBFYGFLTNKGRM-INIZCTEOSA-N 2 2 341.459 1.241 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000573902802 448740483 /nfs/dbraw/zinc/74/04/83/448740483.db2.gz PWXWTZFXTNNRMH-AWEZNQCLSA-N 2 2 333.436 1.348 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000573932235 448751640 /nfs/dbraw/zinc/75/16/40/448751640.db2.gz GRGQJYVWCBLWTJ-UHFFFAOYSA-N 2 2 342.447 1.370 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000545302761 448787843 /nfs/dbraw/zinc/78/78/43/448787843.db2.gz KMMVTRNPSOCFCF-HUUCEWRRSA-N 2 2 329.444 1.993 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000545302761 448787849 /nfs/dbraw/zinc/78/78/49/448787849.db2.gz KMMVTRNPSOCFCF-HUUCEWRRSA-N 2 2 329.444 1.993 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000567946681 448789514 /nfs/dbraw/zinc/78/95/14/448789514.db2.gz VMJWFMMKPKXDST-UKRRQHHQSA-N 2 2 349.479 1.358 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC[N@H+]1CC(C)(C)O ZINC000567946681 448789520 /nfs/dbraw/zinc/78/95/20/448789520.db2.gz VMJWFMMKPKXDST-UKRRQHHQSA-N 2 2 349.479 1.358 20 0 EDADLP Cc1cc(NCCNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc(C(C)C)[nH+]1 ZINC000529369575 448844616 /nfs/dbraw/zinc/84/46/16/448844616.db2.gz YJEVGGKRCRIHQG-GASCZTMLSA-N 2 2 346.479 1.856 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H]3CCC(=O)N(C)C3)c2cc1C ZINC000574336851 448848264 /nfs/dbraw/zinc/84/82/64/448848264.db2.gz JUYPYJQDRZQRKS-HZPDHXFCSA-N 2 2 344.459 1.567 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H]3CCC(=O)N(C)C3)c2cc1C ZINC000574336851 448848271 /nfs/dbraw/zinc/84/82/71/448848271.db2.gz JUYPYJQDRZQRKS-HZPDHXFCSA-N 2 2 344.459 1.567 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccc(-c3cccnc3)c2)[C@@H](C[NH3+])C1 ZINC000568738209 448913048 /nfs/dbraw/zinc/91/30/48/448913048.db2.gz ZAHGPZYSMBRPQB-SFHVURJKSA-N 2 2 339.443 1.533 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(-c3cccnc3)c2)[C@@H](C[NH3+])C1 ZINC000568738209 448913056 /nfs/dbraw/zinc/91/30/56/448913056.db2.gz ZAHGPZYSMBRPQB-SFHVURJKSA-N 2 2 339.443 1.533 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC(Cc4ccco4)C3)cn2)CC1 ZINC000529649272 448917926 /nfs/dbraw/zinc/91/79/26/448917926.db2.gz PQXYWAAQIVPFTQ-UHFFFAOYSA-N 2 2 327.432 1.496 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000529721400 448936167 /nfs/dbraw/zinc/93/61/67/448936167.db2.gz VGQPDQQJHSVGAF-HNNXBMFYSA-N 2 2 340.431 1.799 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000529721400 448936175 /nfs/dbraw/zinc/93/61/75/448936175.db2.gz VGQPDQQJHSVGAF-HNNXBMFYSA-N 2 2 340.431 1.799 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([C@@H]4CCC[NH2+]4)CC3)[nH+]cn2)C1 ZINC000574670459 448929815 /nfs/dbraw/zinc/92/98/15/448929815.db2.gz UQTXFBPYZZAUML-XIRDDKMYSA-N 2 2 345.491 1.652 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC([C@@H]4CCC[NH2+]4)CC3)nc[nH+]2)C1 ZINC000574670459 448929820 /nfs/dbraw/zinc/92/98/20/448929820.db2.gz UQTXFBPYZZAUML-XIRDDKMYSA-N 2 2 345.491 1.652 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCCCC1 ZINC000520771933 448929916 /nfs/dbraw/zinc/92/99/16/448929916.db2.gz KKMYKELUJPKGHQ-OAHLLOKOSA-N 2 2 334.468 1.145 20 0 EDADLP Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000574514305 448889846 /nfs/dbraw/zinc/88/98/46/448889846.db2.gz VLAJNIFDCAKXSG-INIZCTEOSA-N 2 2 332.448 1.373 20 0 EDADLP Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)nc1 ZINC000574514305 448889852 /nfs/dbraw/zinc/88/98/52/448889852.db2.gz VLAJNIFDCAKXSG-INIZCTEOSA-N 2 2 332.448 1.373 20 0 EDADLP Fc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000529539119 448893425 /nfs/dbraw/zinc/89/34/25/448893425.db2.gz SPWLWAULFANFRJ-UHFFFAOYSA-N 3 2 329.423 1.918 20 0 EDADLP COCCc1noc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000548010845 448966023 /nfs/dbraw/zinc/96/60/23/448966023.db2.gz QJKCWZZZGNHQMR-CYBMUJFWSA-N 2 2 331.420 1.781 20 0 EDADLP COCCc1noc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000548010845 448966029 /nfs/dbraw/zinc/96/60/29/448966029.db2.gz QJKCWZZZGNHQMR-CYBMUJFWSA-N 2 2 331.420 1.781 20 0 EDADLP CCN1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548019798 448967376 /nfs/dbraw/zinc/96/73/76/448967376.db2.gz KLFQZWIQNJLLQD-ZIAGYGMSSA-N 2 2 337.493 1.052 20 0 EDADLP CCN1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548019798 448967380 /nfs/dbraw/zinc/96/73/80/448967380.db2.gz KLFQZWIQNJLLQD-ZIAGYGMSSA-N 2 2 337.493 1.052 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc(-n2cccn2)c1 ZINC000521411062 448983046 /nfs/dbraw/zinc/98/30/46/448983046.db2.gz XNGAMZIZPRARJM-RHSMWYFYSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc(-n2cccn2)c1 ZINC000521411062 448983054 /nfs/dbraw/zinc/98/30/54/448983054.db2.gz XNGAMZIZPRARJM-RHSMWYFYSA-N 2 2 342.447 1.218 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC(C)([NH+]4CCOCC4)CC3)ccn12 ZINC000529910929 449001731 /nfs/dbraw/zinc/00/17/31/449001731.db2.gz XGINDGYWGBSKJK-UHFFFAOYSA-N 2 2 342.443 1.970 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC[S@](C)=O)CC2)CC1 ZINC000582190371 449034795 /nfs/dbraw/zinc/03/47/95/449034795.db2.gz SBNSPAPRLMKMFR-QHCPKHFHSA-N 2 2 343.537 1.068 20 0 EDADLP COC[C@]1(CNC(=O)NCc2cn3ccc(C)cc3[nH+]2)CCC[NH2+]1 ZINC000521841881 449017498 /nfs/dbraw/zinc/01/74/98/449017498.db2.gz WLPQIQLNCIWGCY-QGZVFWFLSA-N 2 2 331.420 1.211 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)C1CC1 ZINC000582356125 449072884 /nfs/dbraw/zinc/07/28/84/449072884.db2.gz WXRFHDOFOHUJOU-ZDUSSCGKSA-N 2 2 346.880 1.288 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)C1CC1 ZINC000582356125 449072891 /nfs/dbraw/zinc/07/28/91/449072891.db2.gz WXRFHDOFOHUJOU-ZDUSSCGKSA-N 2 2 346.880 1.288 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH+](C)C3)c2C1 ZINC000589806126 449062597 /nfs/dbraw/zinc/06/25/97/449062597.db2.gz PFKMNCYQUVIHPK-OAHLLOKOSA-N 2 2 344.459 1.561 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[NH+](C)C3)c2C1 ZINC000589806126 449062606 /nfs/dbraw/zinc/06/26/06/449062606.db2.gz PFKMNCYQUVIHPK-OAHLLOKOSA-N 2 2 344.459 1.561 20 0 EDADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)c2C1 ZINC000589806126 449062612 /nfs/dbraw/zinc/06/26/12/449062612.db2.gz PFKMNCYQUVIHPK-OAHLLOKOSA-N 2 2 344.459 1.561 20 0 EDADLP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)c2C1 ZINC000589806126 449062619 /nfs/dbraw/zinc/06/26/19/449062619.db2.gz PFKMNCYQUVIHPK-OAHLLOKOSA-N 2 2 344.459 1.561 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000522596101 449085438 /nfs/dbraw/zinc/08/54/38/449085438.db2.gz NWMIWWMHXRQVBH-UHFFFAOYSA-N 2 2 328.420 1.609 20 0 EDADLP COC(=O)c1ccccc1OCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862351 449213849 /nfs/dbraw/zinc/21/38/49/449213849.db2.gz AOJIRORKHBXIGG-MRXNPFEDSA-N 2 2 348.443 1.383 20 0 EDADLP COC(=O)c1ccccc1OCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595862351 449213853 /nfs/dbraw/zinc/21/38/53/449213853.db2.gz AOJIRORKHBXIGG-MRXNPFEDSA-N 2 2 348.443 1.383 20 0 EDADLP CCOC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000600175118 449228158 /nfs/dbraw/zinc/22/81/58/449228158.db2.gz PQLPCQAJSGDHBH-MRXNPFEDSA-N 2 2 333.432 1.601 20 0 EDADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000590786987 449295254 /nfs/dbraw/zinc/29/52/54/449295254.db2.gz TXFWSGQOWAHNLI-UHFFFAOYSA-N 2 2 332.452 1.621 20 0 EDADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000590786987 449295260 /nfs/dbraw/zinc/29/52/60/449295260.db2.gz TXFWSGQOWAHNLI-UHFFFAOYSA-N 2 2 332.452 1.621 20 0 EDADLP COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000596066316 449344392 /nfs/dbraw/zinc/34/43/92/449344392.db2.gz CLQBUOVDYZQOMT-KKUMJFAQSA-N 2 2 331.416 1.555 20 0 EDADLP CCOC(=O)c1nccc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000596127362 449376885 /nfs/dbraw/zinc/37/68/85/449376885.db2.gz XJIQWUZCRXJRTM-OAHLLOKOSA-N 2 2 347.463 1.258 20 0 EDADLP CCOC(=O)c1nccc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000596127362 449376889 /nfs/dbraw/zinc/37/68/89/449376889.db2.gz XJIQWUZCRXJRTM-OAHLLOKOSA-N 2 2 347.463 1.258 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(CC(=O)OC)cc[nH+]2)C1 ZINC000596150523 449386777 /nfs/dbraw/zinc/38/67/77/449386777.db2.gz COJFHRFFQYKKPF-MRXNPFEDSA-N 2 2 335.448 1.734 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000600643590 449469143 /nfs/dbraw/zinc/46/91/43/449469143.db2.gz HNBCKDGKDQJGTC-CHWSQXEVSA-N 2 2 330.354 1.992 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000600643590 449469149 /nfs/dbraw/zinc/46/91/49/449469149.db2.gz HNBCKDGKDQJGTC-CHWSQXEVSA-N 2 2 330.354 1.992 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)o1 ZINC000594605788 449590498 /nfs/dbraw/zinc/59/04/98/449590498.db2.gz CIWFWVNEIRJZQM-AWEZNQCLSA-N 2 2 336.432 1.965 20 0 EDADLP C[NH+]1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000614444217 449614582 /nfs/dbraw/zinc/61/45/82/449614582.db2.gz XGGYDFWWSCFCPK-INIZCTEOSA-N 2 2 336.480 1.603 20 0 EDADLP C[S@](=O)C1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC000602475688 449620437 /nfs/dbraw/zinc/62/04/37/449620437.db2.gz QNSSQFOVZSHQHD-QHCPKHFHSA-N 2 2 332.429 1.312 20 0 EDADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN1CC[NH+](C)CC1 ZINC000600974744 449627994 /nfs/dbraw/zinc/62/79/94/449627994.db2.gz WXWBQLHSGJSUMF-UHFFFAOYSA-N 2 2 327.432 1.044 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]nnc1-c1ccccc1 ZINC000617507151 449656129 /nfs/dbraw/zinc/65/61/29/449656129.db2.gz KLBOSCUCEDBMHI-AWEZNQCLSA-N 2 2 344.463 1.474 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]nnc1-c1ccccc1 ZINC000617507151 449656133 /nfs/dbraw/zinc/65/61/33/449656133.db2.gz KLBOSCUCEDBMHI-AWEZNQCLSA-N 2 2 344.463 1.474 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000617507151 449656141 /nfs/dbraw/zinc/65/61/41/449656141.db2.gz KLBOSCUCEDBMHI-AWEZNQCLSA-N 2 2 344.463 1.474 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000617507151 449656146 /nfs/dbraw/zinc/65/61/46/449656146.db2.gz KLBOSCUCEDBMHI-AWEZNQCLSA-N 2 2 344.463 1.474 20 0 EDADLP CCOC(=O)CCc1cc(N[C@H](C)C2=CC[N@H+](C)CC2)nc(C)[nH+]1 ZINC000601139481 449711204 /nfs/dbraw/zinc/71/12/04/449711204.db2.gz IJKIHLOXJICCAF-CYBMUJFWSA-N 2 2 332.448 2.343 20 0 EDADLP CCOC(=O)CCc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)nc(C)[nH+]1 ZINC000601139481 449711205 /nfs/dbraw/zinc/71/12/05/449711205.db2.gz IJKIHLOXJICCAF-CYBMUJFWSA-N 2 2 332.448 2.343 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000612573793 449780833 /nfs/dbraw/zinc/78/08/33/449780833.db2.gz IKAQTVGCHITLHJ-OAHLLOKOSA-N 2 2 333.480 1.793 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000612573793 449780835 /nfs/dbraw/zinc/78/08/35/449780835.db2.gz IKAQTVGCHITLHJ-OAHLLOKOSA-N 2 2 333.480 1.793 20 0 EDADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000594874594 449789660 /nfs/dbraw/zinc/78/96/60/449789660.db2.gz GESUJADQMAIZGT-HRCADAONSA-N 2 2 344.459 1.183 20 0 EDADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c1 ZINC000594874594 449789665 /nfs/dbraw/zinc/78/96/65/449789665.db2.gz GESUJADQMAIZGT-HRCADAONSA-N 2 2 344.459 1.183 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc2c1OCC2(C)C ZINC000617763907 449823676 /nfs/dbraw/zinc/82/36/76/449823676.db2.gz AYOGKHKXUSQQGC-UHFFFAOYSA-N 2 2 333.476 1.970 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc2c1OCC2(C)C ZINC000617763907 449823681 /nfs/dbraw/zinc/82/36/81/449823681.db2.gz AYOGKHKXUSQQGC-UHFFFAOYSA-N 2 2 333.476 1.970 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000617766466 449829556 /nfs/dbraw/zinc/82/95/56/449829556.db2.gz LOXXEFVGGALGBH-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2ncon2)cc1 ZINC000617766466 449829560 /nfs/dbraw/zinc/82/95/60/449829560.db2.gz LOXXEFVGGALGBH-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(-n2cccn2)c1 ZINC000617766395 449829714 /nfs/dbraw/zinc/82/97/14/449829714.db2.gz IVZWDAYPPMPRHY-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(-n2cccn2)c1 ZINC000617766395 449829719 /nfs/dbraw/zinc/82/97/19/449829719.db2.gz IVZWDAYPPMPRHY-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000617767160 449830662 /nfs/dbraw/zinc/83/06/62/449830662.db2.gz JCVJVRDLXZPCEI-GOSISDBHSA-N 2 2 343.475 1.472 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000617767160 449830668 /nfs/dbraw/zinc/83/06/68/449830668.db2.gz JCVJVRDLXZPCEI-GOSISDBHSA-N 2 2 343.475 1.472 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1nc2ccccc2[nH]1 ZINC000617768178 449833279 /nfs/dbraw/zinc/83/32/79/449833279.db2.gz SMBYFHLXWKOTNC-UHFFFAOYSA-N 2 2 331.464 1.495 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1nc2ccccc2[nH]1 ZINC000617768178 449833284 /nfs/dbraw/zinc/83/32/84/449833284.db2.gz SMBYFHLXWKOTNC-UHFFFAOYSA-N 2 2 331.464 1.495 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3ccc(F)cc3Cl)CCN2C1=O ZINC000594875159 449790262 /nfs/dbraw/zinc/79/02/62/449790262.db2.gz ZDYACGGTHOVVGR-WCQYABFASA-N 2 2 327.787 1.102 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)CCN2C1=O ZINC000594875159 449790267 /nfs/dbraw/zinc/79/02/67/449790267.db2.gz ZDYACGGTHOVVGR-WCQYABFASA-N 2 2 327.787 1.102 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000608495638 449857904 /nfs/dbraw/zinc/85/79/04/449857904.db2.gz VEGLZLIVTNACGH-HUUCEWRRSA-N 2 2 328.420 1.367 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)n(C)n1 ZINC000608495638 449857908 /nfs/dbraw/zinc/85/79/08/449857908.db2.gz VEGLZLIVTNACGH-HUUCEWRRSA-N 2 2 328.420 1.367 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC1 ZINC000597181879 449858981 /nfs/dbraw/zinc/85/89/81/449858981.db2.gz GUKVHTYOAVAOIH-VBURHUQHSA-N 2 2 344.521 1.683 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000599304643 449876458 /nfs/dbraw/zinc/87/64/58/449876458.db2.gz ZMCVGHIAALVGDY-QGZVFWFLSA-N 2 2 349.475 1.934 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000599304643 449876466 /nfs/dbraw/zinc/87/64/66/449876466.db2.gz ZMCVGHIAALVGDY-QGZVFWFLSA-N 2 2 349.475 1.934 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000599307424 449878924 /nfs/dbraw/zinc/87/89/24/449878924.db2.gz MVCZTSZPRZCBOQ-GOSISDBHSA-N 2 2 349.475 1.334 20 0 EDADLP CCOC(=O)C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000599307424 449878930 /nfs/dbraw/zinc/87/89/30/449878930.db2.gz MVCZTSZPRZCBOQ-GOSISDBHSA-N 2 2 349.475 1.334 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1cccc(F)c1 ZINC000612865190 449916354 /nfs/dbraw/zinc/91/63/54/449916354.db2.gz JOZVJSDIXFPEIO-YOEHRIQHSA-N 2 2 331.395 1.700 20 0 EDADLP CC[C@H](C(=O)N(CC)[C@H]1CC[NH+](CC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000617925065 449922287 /nfs/dbraw/zinc/92/22/87/449922287.db2.gz DUKWCFBYHZGRHU-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N(CC)[C@H]1CC[NH+](CC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000617925065 449922290 /nfs/dbraw/zinc/92/22/90/449922290.db2.gz DUKWCFBYHZGRHU-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617925065 449922297 /nfs/dbraw/zinc/92/22/97/449922297.db2.gz DUKWCFBYHZGRHU-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617925065 449922304 /nfs/dbraw/zinc/92/23/04/449922304.db2.gz DUKWCFBYHZGRHU-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP O=C(NCc1ccco1)c1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000615097587 449956718 /nfs/dbraw/zinc/95/67/18/449956718.db2.gz GYMYYVIDUVFRLH-IRXDYDNUSA-N 2 2 325.412 1.861 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157614 449970784 /nfs/dbraw/zinc/97/07/84/449970784.db2.gz KMZAFPXOFZUIBE-OAGGEKHMSA-N 2 2 347.463 1.925 20 0 EDADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157614 449970788 /nfs/dbraw/zinc/97/07/88/449970788.db2.gz KMZAFPXOFZUIBE-OAGGEKHMSA-N 2 2 347.463 1.925 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[N@@H+]3C)cc2n1C ZINC000615265106 450027721 /nfs/dbraw/zinc/02/77/21/450027721.db2.gz HMVLDGWOULIRLT-SJLPKXTDSA-N 2 2 342.443 1.817 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[N@H+]3C)cc2n1C ZINC000615265106 450027727 /nfs/dbraw/zinc/02/77/27/450027727.db2.gz HMVLDGWOULIRLT-SJLPKXTDSA-N 2 2 342.443 1.817 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595329896 450044194 /nfs/dbraw/zinc/04/41/94/450044194.db2.gz DOSAMFOWHXNORU-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595329896 450044198 /nfs/dbraw/zinc/04/41/98/450044198.db2.gz DOSAMFOWHXNORU-CVEARBPZSA-N 2 2 339.480 1.204 20 0 EDADLP Cc1cccc(COCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000623018301 450367347 /nfs/dbraw/zinc/36/73/47/450367347.db2.gz CJGDMHFHSDZURB-UHFFFAOYSA-N 2 2 347.503 1.996 20 0 EDADLP Cc1cccc(COCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000623018301 450367351 /nfs/dbraw/zinc/36/73/51/450367351.db2.gz CJGDMHFHSDZURB-UHFFFAOYSA-N 2 2 347.503 1.996 20 0 EDADLP c1[nH]nc2cccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)c12 ZINC000623421097 450519732 /nfs/dbraw/zinc/51/97/32/450519732.db2.gz ZWKQZPVUFUGORL-INIZCTEOSA-N 2 2 329.448 1.059 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cn(C3CC3)nn2)([NH+]2CCCCC2)CC1 ZINC000625856626 450522663 /nfs/dbraw/zinc/52/26/63/450522663.db2.gz GDPZFISNRMZUNX-UHFFFAOYSA-N 2 2 346.479 1.293 20 0 EDADLP Cc1cc(NCCNC(=O)NC[C@@H]2CCC[N@H+]2C)nc(C(C)C)[nH+]1 ZINC000623716733 450571121 /nfs/dbraw/zinc/57/11/21/450571121.db2.gz XUXZYUXWGATNDT-AWEZNQCLSA-N 2 2 334.468 1.714 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000623634626 450556264 /nfs/dbraw/zinc/55/62/64/450556264.db2.gz NHXTUZMKQDXTGV-UXLLHSPISA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000623634626 450556267 /nfs/dbraw/zinc/55/62/67/450556267.db2.gz NHXTUZMKQDXTGV-UXLLHSPISA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000620907208 450558597 /nfs/dbraw/zinc/55/85/97/450558597.db2.gz IBHZRXDGGBZJSO-CABCVRRESA-N 2 2 346.475 1.616 20 0 EDADLP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000620907208 450558599 /nfs/dbraw/zinc/55/85/99/450558599.db2.gz IBHZRXDGGBZJSO-CABCVRRESA-N 2 2 346.475 1.616 20 0 EDADLP O[C@@H]1CCN(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759258 450578980 /nfs/dbraw/zinc/57/89/80/450578980.db2.gz DYMHPMZBMGUUIF-RBUKOAKNSA-N 2 2 329.488 1.840 20 0 EDADLP O[C@@H]1CCN(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623759258 450578982 /nfs/dbraw/zinc/57/89/82/450578982.db2.gz DYMHPMZBMGUUIF-RBUKOAKNSA-N 2 2 329.488 1.840 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1c[nH+]cn1C ZINC000621109996 450582667 /nfs/dbraw/zinc/58/26/67/450582667.db2.gz HKRAIOFKJZMCRD-RDJZCZTQSA-N 2 2 333.480 1.261 20 0 EDADLP CN(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1c[nH+]cn1C ZINC000621109996 450582668 /nfs/dbraw/zinc/58/26/68/450582668.db2.gz HKRAIOFKJZMCRD-RDJZCZTQSA-N 2 2 333.480 1.261 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621385874 450710680 /nfs/dbraw/zinc/71/06/80/450710680.db2.gz YRVZAVBTFGAQPG-INIZCTEOSA-N 2 2 348.466 1.921 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621385874 450710685 /nfs/dbraw/zinc/71/06/85/450710685.db2.gz YRVZAVBTFGAQPG-INIZCTEOSA-N 2 2 348.466 1.921 20 0 EDADLP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)n1cncn1 ZINC000631690707 450716816 /nfs/dbraw/zinc/71/68/16/450716816.db2.gz IISLSCHYFDMRAX-UONOGXRCSA-N 2 2 347.385 1.615 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000629546244 450729634 /nfs/dbraw/zinc/72/96/34/450729634.db2.gz QKYQJDNDXWTETN-GOEBONIOSA-N 2 2 337.489 1.874 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1cc(O)c(OC)cc1Br ZINC000629655491 450772675 /nfs/dbraw/zinc/77/26/75/450772675.db2.gz YCLCLKJYJUTNLQ-UHFFFAOYSA-N 2 2 347.253 1.831 20 0 EDADLP COc1cc(Br)c(C[N@H+](C)CCOCC[NH3+])cc1OC ZINC000629580849 450747885 /nfs/dbraw/zinc/74/78/85/450747885.db2.gz ZTNPWNAURLZBCF-UHFFFAOYSA-N 2 2 347.253 1.873 20 0 EDADLP COc1cc(Br)c(C[N@@H+](C)CCOCC[NH3+])cc1OC ZINC000629580849 450747888 /nfs/dbraw/zinc/74/78/88/450747888.db2.gz ZTNPWNAURLZBCF-UHFFFAOYSA-N 2 2 347.253 1.873 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1cc(O)c(OC)cc1Br ZINC000629655491 450772679 /nfs/dbraw/zinc/77/26/79/450772679.db2.gz YCLCLKJYJUTNLQ-UHFFFAOYSA-N 2 2 347.253 1.831 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000621505373 450749444 /nfs/dbraw/zinc/74/94/44/450749444.db2.gz YZMGQFACBIZZMO-LJQANCHMSA-N 2 2 346.519 1.814 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21)C[NH+]1CCCC1 ZINC000629585603 450750485 /nfs/dbraw/zinc/75/04/85/450750485.db2.gz YBVBXJVUVAZLCI-DLBZAZTESA-N 2 2 326.444 1.906 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593701 450754133 /nfs/dbraw/zinc/75/41/33/450754133.db2.gz INHOSFNCJQQTHQ-AHRSYUTCSA-N 2 2 329.488 1.974 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593701 450754139 /nfs/dbraw/zinc/75/41/39/450754139.db2.gz INHOSFNCJQQTHQ-AHRSYUTCSA-N 2 2 329.488 1.974 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595885 450755086 /nfs/dbraw/zinc/75/50/86/450755086.db2.gz SRELCWYYKFAIOL-RYGJVYDSSA-N 2 2 327.472 1.891 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629595885 450755092 /nfs/dbraw/zinc/75/50/92/450755092.db2.gz SRELCWYYKFAIOL-RYGJVYDSSA-N 2 2 327.472 1.891 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)C12CCC[NH+](CCC1)C2 ZINC000635222484 450764052 /nfs/dbraw/zinc/76/40/52/450764052.db2.gz BHRTWGTZWHHCHD-UHFFFAOYSA-N 2 2 344.459 1.410 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629659816 450773523 /nfs/dbraw/zinc/77/35/23/450773523.db2.gz ICEMOAQQDNWTMR-HIFRSBDPSA-N 2 2 335.448 1.440 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635240118 450775392 /nfs/dbraw/zinc/77/53/92/450775392.db2.gz LMGNSLPNDGDRBF-QGZVFWFLSA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635240118 450775393 /nfs/dbraw/zinc/77/53/93/450775393.db2.gz LMGNSLPNDGDRBF-QGZVFWFLSA-N 2 2 344.459 1.551 20 0 EDADLP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000624306288 450789724 /nfs/dbraw/zinc/78/97/24/450789724.db2.gz ZONRFTXQJKUTNH-OWCLPIDISA-N 2 2 336.436 1.441 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000621641752 450806576 /nfs/dbraw/zinc/80/65/76/450806576.db2.gz VLBSTRWJQWVNMB-IEBWSBKVSA-N 2 2 345.487 1.956 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868284 450836372 /nfs/dbraw/zinc/83/63/72/450836372.db2.gz CKVONYFNSFHMAY-QUCCMNQESA-N 2 2 345.487 1.960 20 0 EDADLP OCCOCCNc1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)c[nH+]1 ZINC000629742267 450794802 /nfs/dbraw/zinc/79/48/02/450794802.db2.gz QHERDHVGMPJKJS-UHFFFAOYSA-N 2 2 338.411 2.414 20 0 EDADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000621779604 450865085 /nfs/dbraw/zinc/86/50/85/450865085.db2.gz HBANSXUQWXMOOP-VBKZILBWSA-N 2 2 338.455 1.866 20 0 EDADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000621779604 450865091 /nfs/dbraw/zinc/86/50/91/450865091.db2.gz HBANSXUQWXMOOP-VBKZILBWSA-N 2 2 338.455 1.866 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000621832574 450885946 /nfs/dbraw/zinc/88/59/46/450885946.db2.gz BKBJPVZXPPIUBK-JTQLQIEISA-N 2 2 329.404 1.243 20 0 EDADLP CC[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C12CCOCC2)[NH+](CC)CC ZINC000633526407 450896877 /nfs/dbraw/zinc/89/68/77/450896877.db2.gz PXHDKMBKJJNXIA-HNNXBMFYSA-N 2 2 334.464 1.921 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C23CCOCC3)CC[N@@H+]1C ZINC000633528273 450898201 /nfs/dbraw/zinc/89/82/01/450898201.db2.gz RXQSEOFOANYNMQ-DZGCQCFKSA-N 2 2 332.448 1.530 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCc3[nH+]c[nH]c3C23CCOCC3)CC[N@H+]1C ZINC000633528273 450898205 /nfs/dbraw/zinc/89/82/05/450898205.db2.gz RXQSEOFOANYNMQ-DZGCQCFKSA-N 2 2 332.448 1.530 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635400471 450907300 /nfs/dbraw/zinc/90/73/00/450907300.db2.gz FSXBPXDUWSNDOB-CYBMUJFWSA-N 2 2 326.400 1.792 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635400471 450907303 /nfs/dbraw/zinc/90/73/03/450907303.db2.gz FSXBPXDUWSNDOB-CYBMUJFWSA-N 2 2 326.400 1.792 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCOCCC[NH3+])c1ccccc1 ZINC000626927634 451010458 /nfs/dbraw/zinc/01/04/58/451010458.db2.gz VXILPZIZFJCDGT-HNNXBMFYSA-N 2 2 331.420 1.174 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC1CCN(c3cccc[nH+]3)CC1)C2 ZINC000626937618 451019496 /nfs/dbraw/zinc/01/94/96/451019496.db2.gz KCYZDEIKQIMVAG-KDURUIRLSA-N 2 2 343.475 1.691 20 0 EDADLP CC(C)(CNC(=O)NCc1cccc2c1CC[NH2+]C2)[NH+]1CCOCC1 ZINC000635526715 451023124 /nfs/dbraw/zinc/02/31/24/451023124.db2.gz LWOOPIKTCZSILU-UHFFFAOYSA-N 2 2 346.475 1.242 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000635564507 451063954 /nfs/dbraw/zinc/06/39/54/451063954.db2.gz HMHFEKYUHYAHGZ-SJLPKXTDSA-N 2 2 331.460 1.680 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000635564507 451063958 /nfs/dbraw/zinc/06/39/58/451063958.db2.gz HMHFEKYUHYAHGZ-SJLPKXTDSA-N 2 2 331.460 1.680 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)[C@H]1CCSC1 ZINC000633896457 451080315 /nfs/dbraw/zinc/08/03/15/451080315.db2.gz MUTONTHRKFWSKX-INIZCTEOSA-N 2 2 349.500 1.474 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)[C@H]1CCSC1 ZINC000633896457 451080322 /nfs/dbraw/zinc/08/03/22/451080322.db2.gz MUTONTHRKFWSKX-INIZCTEOSA-N 2 2 349.500 1.474 20 0 EDADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](CCCF)CC1 ZINC000627958912 451051533 /nfs/dbraw/zinc/05/15/33/451051533.db2.gz OAXYHCCHMNYGNB-GOSISDBHSA-N 2 2 349.450 1.391 20 0 EDADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](CCCF)CC1 ZINC000627958912 451051537 /nfs/dbraw/zinc/05/15/37/451051537.db2.gz OAXYHCCHMNYGNB-GOSISDBHSA-N 2 2 349.450 1.391 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000627087661 451117947 /nfs/dbraw/zinc/11/79/47/451117947.db2.gz LQSRBTCUDUSWBH-JSGCOSHPSA-N 2 2 334.468 1.618 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000622415513 451145239 /nfs/dbraw/zinc/14/52/39/451145239.db2.gz BSZNYFQNUNMODT-UHFFFAOYSA-N 2 2 328.420 1.384 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622566725 451171867 /nfs/dbraw/zinc/17/18/67/451171867.db2.gz WGAQUWYXIBTKFK-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622566725 451171872 /nfs/dbraw/zinc/17/18/72/451171872.db2.gz WGAQUWYXIBTKFK-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628210304 451183092 /nfs/dbraw/zinc/18/30/92/451183092.db2.gz PTGDXJXYKGVRMF-UHFFFAOYSA-N 2 2 327.432 1.989 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635705768 451186261 /nfs/dbraw/zinc/18/62/61/451186261.db2.gz YDHXPMLWLYJFNI-SRABZTEZSA-N 2 2 332.448 1.397 20 0 EDADLP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635705768 451186266 /nfs/dbraw/zinc/18/62/66/451186266.db2.gz YDHXPMLWLYJFNI-SRABZTEZSA-N 2 2 332.448 1.397 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cnn(C3CC[NH+](C)CC3)c1)CC2 ZINC000634098109 451192619 /nfs/dbraw/zinc/19/26/19/451192619.db2.gz QUWRTVUVXFHVSO-AWEZNQCLSA-N 2 2 342.447 1.856 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nc2)C1 ZINC000635720249 451197489 /nfs/dbraw/zinc/19/74/89/451197489.db2.gz RNECAKQXKUAPAZ-RRFJBIMHSA-N 2 2 340.431 1.687 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nc2)C1 ZINC000635720249 451197490 /nfs/dbraw/zinc/19/74/90/451197490.db2.gz RNECAKQXKUAPAZ-RRFJBIMHSA-N 2 2 340.431 1.687 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000627236403 451202466 /nfs/dbraw/zinc/20/24/66/451202466.db2.gz UHOOMEREEDDUSS-XJKSGUPXSA-N 2 2 336.867 1.918 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCc3ccncn3)c2)CC1 ZINC000634194756 451231271 /nfs/dbraw/zinc/23/12/71/451231271.db2.gz YIEINTXKEBWLOQ-UHFFFAOYSA-N 2 2 326.404 1.195 20 0 EDADLP CCC[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[N@@H+]1CCOC ZINC000635751931 451219522 /nfs/dbraw/zinc/21/95/22/451219522.db2.gz FQXCKVSZKICFGU-INIZCTEOSA-N 2 2 336.480 1.966 20 0 EDADLP CCC[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[N@H+]1CCOC ZINC000635751931 451219525 /nfs/dbraw/zinc/21/95/25/451219525.db2.gz FQXCKVSZKICFGU-INIZCTEOSA-N 2 2 336.480 1.966 20 0 EDADLP C[NH+](C)[C@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000640320243 451248308 /nfs/dbraw/zinc/24/83/08/451248308.db2.gz NMOWRBDQVKRPJP-HOTGVXAUSA-N 2 2 339.867 1.516 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)CC2 ZINC000625279547 451256355 /nfs/dbraw/zinc/25/63/55/451256355.db2.gz HXZFVTMBRQLMFF-HOTGVXAUSA-N 2 2 334.464 1.323 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000635820225 451268141 /nfs/dbraw/zinc/26/81/41/451268141.db2.gz MPZLTTQJKYWNEX-GHMZBOCLSA-N 2 2 327.310 1.704 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000638114305 451282445 /nfs/dbraw/zinc/28/24/45/451282445.db2.gz YNLAMNWTTXJCPF-MOPGFXCFSA-N 2 2 347.503 1.810 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638173906 451336060 /nfs/dbraw/zinc/33/60/60/451336060.db2.gz GYWVCERDUXKSFG-UHFFFAOYSA-N 3 2 340.418 1.080 20 0 EDADLP COc1cncc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000638137175 451311247 /nfs/dbraw/zinc/31/12/47/451311247.db2.gz GSNOBOQEPMYEBN-CRAIPNDOSA-N 2 2 332.492 1.856 20 0 EDADLP COc1cncc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000638137175 451311251 /nfs/dbraw/zinc/31/12/51/451311251.db2.gz GSNOBOQEPMYEBN-CRAIPNDOSA-N 2 2 332.492 1.856 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000638139217 451314338 /nfs/dbraw/zinc/31/43/38/451314338.db2.gz KFSVWOMQAGEZPY-ZVZYQTTQSA-N 2 2 332.448 1.054 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000632492912 451339556 /nfs/dbraw/zinc/33/95/56/451339556.db2.gz QBUCXKWUKITSDA-UHFFFAOYSA-N 2 2 349.500 1.371 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000632492912 451339560 /nfs/dbraw/zinc/33/95/60/451339560.db2.gz QBUCXKWUKITSDA-UHFFFAOYSA-N 2 2 349.500 1.371 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000638278754 451398109 /nfs/dbraw/zinc/39/81/09/451398109.db2.gz VHSXSPMPJIWTDO-CYBMUJFWSA-N 2 2 343.406 1.593 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000632574285 451415561 /nfs/dbraw/zinc/41/55/61/451415561.db2.gz FFEVIFINWWLCFK-MRXNPFEDSA-N 2 2 337.489 1.275 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000632574285 451415565 /nfs/dbraw/zinc/41/55/65/451415565.db2.gz FFEVIFINWWLCFK-MRXNPFEDSA-N 2 2 337.489 1.275 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000638373216 451470520 /nfs/dbraw/zinc/47/05/20/451470520.db2.gz OHYIMPLDMNZUAH-UHFFFAOYSA-N 2 2 329.452 1.125 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000628914547 451473114 /nfs/dbraw/zinc/47/31/14/451473114.db2.gz NRRSBCBTGJKVSG-CQSZACIVSA-N 2 2 342.443 1.216 20 0 EDADLP C[NH+]1CCOC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000628914547 451473120 /nfs/dbraw/zinc/47/31/20/451473120.db2.gz NRRSBCBTGJKVSG-CQSZACIVSA-N 2 2 342.443 1.216 20 0 EDADLP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4COCC[N@@H+]4C)cc3c2C1 ZINC000628914547 451473125 /nfs/dbraw/zinc/47/31/25/451473125.db2.gz NRRSBCBTGJKVSG-CQSZACIVSA-N 2 2 342.443 1.216 20 0 EDADLP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4COCC[N@H+]4C)cc3c2C1 ZINC000628914547 451473128 /nfs/dbraw/zinc/47/31/28/451473128.db2.gz NRRSBCBTGJKVSG-CQSZACIVSA-N 2 2 342.443 1.216 20 0 EDADLP C[C@@H](C[NH2+]C[C@@H](O)CC1(O)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000634704276 451481003 /nfs/dbraw/zinc/48/10/03/451481003.db2.gz IZSOJMJMQAXTEC-WMZOPIPTSA-N 2 2 336.476 1.389 20 0 EDADLP C[C@@H](C[NH2+]C[C@@H](O)CC1(O)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000634704276 451481007 /nfs/dbraw/zinc/48/10/07/451481007.db2.gz IZSOJMJMQAXTEC-WMZOPIPTSA-N 2 2 336.476 1.389 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000636070418 451484773 /nfs/dbraw/zinc/48/47/73/451484773.db2.gz AYGIOUKZEPFVFD-MAUKXSAKSA-N 2 2 340.427 1.597 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000636070418 451484778 /nfs/dbraw/zinc/48/47/78/451484778.db2.gz AYGIOUKZEPFVFD-MAUKXSAKSA-N 2 2 340.427 1.597 20 0 EDADLP C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000630934962 451492007 /nfs/dbraw/zinc/49/20/07/451492007.db2.gz DVTJPVIVWYJCCB-HOTGVXAUSA-N 2 2 342.443 1.640 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[NH+](C)C1CC1 ZINC000634724552 451505966 /nfs/dbraw/zinc/50/59/66/451505966.db2.gz SHVIGWZEOSXXOP-KPFFTGBYSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[NH+](C)C1CC1 ZINC000634724552 451505973 /nfs/dbraw/zinc/50/59/73/451505973.db2.gz SHVIGWZEOSXXOP-KPFFTGBYSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000634724552 451505977 /nfs/dbraw/zinc/50/59/77/451505977.db2.gz SHVIGWZEOSXXOP-KPFFTGBYSA-N 3 2 331.504 1.799 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000634724552 451505983 /nfs/dbraw/zinc/50/59/83/451505983.db2.gz SHVIGWZEOSXXOP-KPFFTGBYSA-N 3 2 331.504 1.799 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000638455074 451524897 /nfs/dbraw/zinc/52/48/97/451524897.db2.gz RXBBJJGIPPWODB-UHFFFAOYSA-N 2 2 341.477 1.671 20 0 EDADLP OCc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000638462917 451528133 /nfs/dbraw/zinc/52/81/33/451528133.db2.gz PMZQDSXIWYUKOD-UHFFFAOYSA-N 3 2 340.471 1.876 20 0 EDADLP Cc1nc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc(N)[nH+]1 ZINC000631038549 451546321 /nfs/dbraw/zinc/54/63/21/451546321.db2.gz BLQAVEZMUIEYNF-UHFFFAOYSA-N 2 2 348.838 1.617 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[nH+]1 ZINC000636170557 451560988 /nfs/dbraw/zinc/56/09/88/451560988.db2.gz BLWKMLFEPKUNST-QGZVFWFLSA-N 2 2 342.443 1.398 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH+]1 ZINC000636170557 451560994 /nfs/dbraw/zinc/56/09/94/451560994.db2.gz BLWKMLFEPKUNST-QGZVFWFLSA-N 2 2 342.443 1.398 20 0 EDADLP OC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCCC1 ZINC000631068114 451565527 /nfs/dbraw/zinc/56/55/27/451565527.db2.gz MUDAIKILFGWMIV-UHFFFAOYSA-N 2 2 334.460 1.792 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631068237 451566945 /nfs/dbraw/zinc/56/69/45/451566945.db2.gz FRDBPBOYNCUESR-UHFFFAOYSA-N 2 2 347.507 1.716 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H](C)[C@@H]3CC[NH3+])nc[nH+]2)C1 ZINC000634811651 451567109 /nfs/dbraw/zinc/56/71/09/451567109.db2.gz MCQOODCLYRPDKZ-QXSJWSMHSA-N 2 2 333.480 1.637 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H](C)[C@@H]3CC[NH3+])[nH+]cn2)C1 ZINC000634811651 451567113 /nfs/dbraw/zinc/56/71/13/451567113.db2.gz MCQOODCLYRPDKZ-QXSJWSMHSA-N 2 2 333.480 1.637 20 0 EDADLP O[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631122382 451596114 /nfs/dbraw/zinc/59/61/14/451596114.db2.gz XVOLVHRUQKHJTD-QZTJIDSGSA-N 2 2 334.460 1.648 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C[N@@H+]1Cc1ccccc1 ZINC000636919116 451606479 /nfs/dbraw/zinc/60/64/79/451606479.db2.gz KXKZEBGYEONWAA-DJIMGWMZSA-N 2 2 339.443 1.770 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C[N@H+]1Cc1ccccc1 ZINC000636919116 451606484 /nfs/dbraw/zinc/60/64/84/451606484.db2.gz KXKZEBGYEONWAA-DJIMGWMZSA-N 2 2 339.443 1.770 20 0 EDADLP Cc1nc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631177854 451627111 /nfs/dbraw/zinc/62/71/11/451627111.db2.gz ATECFDXTLIWYOY-CJNGLKHVSA-N 2 2 326.448 1.897 20 0 EDADLP Cc1nc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631177854 451627113 /nfs/dbraw/zinc/62/71/13/451627113.db2.gz ATECFDXTLIWYOY-CJNGLKHVSA-N 2 2 326.448 1.897 20 0 EDADLP Cc1nc(N)nc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000631177854 451627117 /nfs/dbraw/zinc/62/71/17/451627117.db2.gz ATECFDXTLIWYOY-CJNGLKHVSA-N 2 2 326.448 1.897 20 0 EDADLP Cc1nc(N)nc(NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000631177854 451627120 /nfs/dbraw/zinc/62/71/20/451627120.db2.gz ATECFDXTLIWYOY-CJNGLKHVSA-N 2 2 326.448 1.897 20 0 EDADLP CN(C(=O)C[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1)C1CCCCC1 ZINC000634992318 451639969 /nfs/dbraw/zinc/63/99/69/451639969.db2.gz LLFZFIMWWHLSJS-UHFFFAOYSA-N 2 2 334.508 1.147 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000631213153 451644549 /nfs/dbraw/zinc/64/45/49/451644549.db2.gz JJXQCICIASHFIB-UHFFFAOYSA-N 2 2 342.443 1.596 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1)CC(C)(C)C ZINC000636288850 451657216 /nfs/dbraw/zinc/65/72/16/451657216.db2.gz NKWVBPTYRXVXBO-KRWDZBQOSA-N 2 2 348.491 1.377 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1)CC(C)(C)C ZINC000636288850 451657225 /nfs/dbraw/zinc/65/72/25/451657225.db2.gz NKWVBPTYRXVXBO-KRWDZBQOSA-N 2 2 348.491 1.377 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)CC(C)(C)C ZINC000636288850 451657234 /nfs/dbraw/zinc/65/72/34/451657234.db2.gz NKWVBPTYRXVXBO-KRWDZBQOSA-N 2 2 348.491 1.377 20 0 EDADLP C[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)CC(C)(C)C ZINC000636288850 451657243 /nfs/dbraw/zinc/65/72/43/451657243.db2.gz NKWVBPTYRXVXBO-KRWDZBQOSA-N 2 2 348.491 1.377 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@H]1c1ccccc1 ZINC000636985745 451662403 /nfs/dbraw/zinc/66/24/03/451662403.db2.gz UNHWIMCZJWWPAO-HYVNUMGLSA-N 2 2 325.416 1.552 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@H]1c1ccccc1 ZINC000636985745 451662409 /nfs/dbraw/zinc/66/24/09/451662409.db2.gz UNHWIMCZJWWPAO-HYVNUMGLSA-N 2 2 325.416 1.552 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3C(F)(F)F)CC2)CC1 ZINC000632978080 451675551 /nfs/dbraw/zinc/67/55/51/451675551.db2.gz BJFDFXUKLZJBPQ-ZIAGYGMSSA-N 2 2 348.413 1.795 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637023472 451684559 /nfs/dbraw/zinc/68/45/59/451684559.db2.gz OOUXKDOXSRGGGP-GDBMZVCRSA-N 2 2 327.432 1.628 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](CCc1ccccc1)C(F)F ZINC000638776066 451686526 /nfs/dbraw/zinc/68/65/26/451686526.db2.gz OVDREQXVKDTLOF-LSDHHAIUSA-N 2 2 327.419 1.990 20 0 EDADLP [NH3+][C@@H]1CCCCCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000638819765 451700346 /nfs/dbraw/zinc/70/03/46/451700346.db2.gz MIIZUWUBCLCLEN-GOSISDBHSA-N 2 2 331.460 1.862 20 0 EDADLP CCOc1ccc(NC(=O)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638859821 451713112 /nfs/dbraw/zinc/71/31/12/451713112.db2.gz OGDAGFGXIQGHJH-UHFFFAOYSA-N 2 2 349.475 1.849 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636296954 451667328 /nfs/dbraw/zinc/66/73/28/451667328.db2.gz MIEPVCAZDIJLFO-CALCHBBNSA-N 2 2 330.476 1.641 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636296954 451667333 /nfs/dbraw/zinc/66/73/33/451667333.db2.gz MIEPVCAZDIJLFO-CALCHBBNSA-N 2 2 330.476 1.641 20 0 EDADLP CC(C)[NH+](CCC[NH2+]Cc1ccc(S(N)(=O)=O)s1)C(C)C ZINC000638737219 451670843 /nfs/dbraw/zinc/67/08/43/451670843.db2.gz VNCSNAURHMJBBI-UHFFFAOYSA-N 2 2 333.523 1.994 20 0 EDADLP CO[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000639142327 451776006 /nfs/dbraw/zinc/77/60/06/451776006.db2.gz XIJIKLLHSOIETD-SJLPKXTDSA-N 2 2 326.481 1.472 20 0 EDADLP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000639142327 451776009 /nfs/dbraw/zinc/77/60/09/451776009.db2.gz XIJIKLLHSOIETD-SJLPKXTDSA-N 2 2 326.481 1.472 20 0 EDADLP CCC[C@@H]([NH3+])c1cn(CC(=O)N2CC[NH+](Cc3ccco3)CC2)nn1 ZINC000641030618 451735371 /nfs/dbraw/zinc/73/53/71/451735371.db2.gz CCWJWSCAMUFTCR-OAHLLOKOSA-N 2 2 346.435 1.015 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000638934773 451739360 /nfs/dbraw/zinc/73/93/60/451739360.db2.gz KDVPVEQMHJVBSR-HIFRSBDPSA-N 2 2 341.415 1.474 20 0 EDADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005408 451751675 /nfs/dbraw/zinc/75/16/75/451751675.db2.gz WTPXZWONOLRMML-ALOPSCKCSA-N 2 2 343.475 1.084 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639081041 451763711 /nfs/dbraw/zinc/76/37/11/451763711.db2.gz PFVOKIUBIHPXAT-LBPRGKRZSA-N 2 2 347.492 1.021 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639081041 451763713 /nfs/dbraw/zinc/76/37/13/451763713.db2.gz PFVOKIUBIHPXAT-LBPRGKRZSA-N 2 2 347.492 1.021 20 0 EDADLP c1c([C@@H]2COCC[NH2+]2)nnn1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000641179498 451770779 /nfs/dbraw/zinc/77/07/79/451770779.db2.gz NMVBJKMMLINMDB-IBGZPJMESA-N 2 2 341.459 1.973 20 0 EDADLP C[NH+](C)[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)C1CCCCC1 ZINC000641276894 451802770 /nfs/dbraw/zinc/80/27/70/451802770.db2.gz FLGVJCFYVCAZHE-HNNXBMFYSA-N 2 2 328.482 1.313 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1CO ZINC000639337466 451833979 /nfs/dbraw/zinc/83/39/79/451833979.db2.gz CDNKUGSUIIKZOT-PKOBYXMFSA-N 2 2 348.487 1.848 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@@H]1CO ZINC000639337466 451833986 /nfs/dbraw/zinc/83/39/86/451833986.db2.gz CDNKUGSUIIKZOT-PKOBYXMFSA-N 2 2 348.487 1.848 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641311307 451834191 /nfs/dbraw/zinc/83/41/91/451834191.db2.gz WINYMBVPRSBBPP-OAHLLOKOSA-N 2 2 328.482 1.457 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641311307 451834195 /nfs/dbraw/zinc/83/41/95/451834195.db2.gz WINYMBVPRSBBPP-OAHLLOKOSA-N 2 2 328.482 1.457 20 0 EDADLP COc1cc2[nH+]c(N(C)CC[NH+]3CCCCC3)nc(N)c2cc1OC ZINC000651476832 451851062 /nfs/dbraw/zinc/85/10/62/451851062.db2.gz KPQCAIKIJRSODJ-UHFFFAOYSA-N 2 2 345.447 1.982 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc(COC2CCOCC2)c1)C1CC1 ZINC000644561133 451861193 /nfs/dbraw/zinc/86/11/93/451861193.db2.gz OVGXUSCTJQTNOF-LJQANCHMSA-N 2 2 348.487 1.927 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(COC2CCOCC2)c1)C1CC1 ZINC000644561133 451861203 /nfs/dbraw/zinc/86/12/03/451861203.db2.gz OVGXUSCTJQTNOF-LJQANCHMSA-N 2 2 348.487 1.927 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(c3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000644572466 451869002 /nfs/dbraw/zinc/86/90/02/451869002.db2.gz RGEZGJHWPDFECE-RKVPGOIHSA-N 2 2 336.451 1.917 20 0 EDADLP C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)CC[N@@H+]1C ZINC000641355628 451883826 /nfs/dbraw/zinc/88/38/26/451883826.db2.gz UDDGYEZVADTYBU-HIFRSBDPSA-N 2 2 337.489 1.436 20 0 EDADLP C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[NH+](C)C3)CC[N@H+]1C ZINC000641355628 451883830 /nfs/dbraw/zinc/88/38/30/451883830.db2.gz UDDGYEZVADTYBU-HIFRSBDPSA-N 2 2 337.489 1.436 20 0 EDADLP C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC[NH+]1C ZINC000641355628 451883834 /nfs/dbraw/zinc/88/38/34/451883834.db2.gz UDDGYEZVADTYBU-HIFRSBDPSA-N 2 2 337.489 1.436 20 0 EDADLP C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC[NH+]1C ZINC000641355628 451883835 /nfs/dbraw/zinc/88/38/35/451883835.db2.gz UDDGYEZVADTYBU-HIFRSBDPSA-N 2 2 337.489 1.436 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000651521984 451887718 /nfs/dbraw/zinc/88/77/18/451887718.db2.gz MFJIWQRLOLKUQZ-SJORKVTESA-N 2 2 346.475 1.522 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3([NH3+])CCN(C)C3)n2)C1 ZINC000649278571 451949118 /nfs/dbraw/zinc/94/91/18/451949118.db2.gz MLEBUGGGSOYFMM-WBMJQRKESA-N 2 2 337.493 1.347 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3([NH3+])CCN(C)C3)n2)C1 ZINC000649278571 451949125 /nfs/dbraw/zinc/94/91/25/451949125.db2.gz MLEBUGGGSOYFMM-WBMJQRKESA-N 2 2 337.493 1.347 20 0 EDADLP CCN1CC[C@@H]([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1=O ZINC000644643120 451913222 /nfs/dbraw/zinc/91/32/22/451913222.db2.gz ZCAAEGWDEWMFQP-LSDHHAIUSA-N 2 2 330.432 1.224 20 0 EDADLP O=C1CCCN1[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639556405 451942752 /nfs/dbraw/zinc/94/27/52/451942752.db2.gz VPBKRNSAYDWLJI-AZUAARDMSA-N 2 2 343.471 1.320 20 0 EDADLP O=C1CCCN1[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639556405 451942757 /nfs/dbraw/zinc/94/27/57/451942757.db2.gz VPBKRNSAYDWLJI-AZUAARDMSA-N 2 2 343.471 1.320 20 0 EDADLP O=C1CCCN1[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639556405 451942762 /nfs/dbraw/zinc/94/27/62/451942762.db2.gz VPBKRNSAYDWLJI-AZUAARDMSA-N 2 2 343.471 1.320 20 0 EDADLP O=C1CCCN1[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639556405 451942769 /nfs/dbraw/zinc/94/27/69/451942769.db2.gz VPBKRNSAYDWLJI-AZUAARDMSA-N 2 2 343.471 1.320 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000649284833 451957882 /nfs/dbraw/zinc/95/78/82/451957882.db2.gz CXMMXDZEOBZTIY-CVEARBPZSA-N 2 2 339.867 1.813 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)[C@H]1C[NH2+]CCC1(F)F ZINC000649303098 451979976 /nfs/dbraw/zinc/97/99/76/451979976.db2.gz VHWYBOCAQXRRKF-CQSZACIVSA-N 2 2 339.386 1.702 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306583 451983652 /nfs/dbraw/zinc/98/36/52/451983652.db2.gz ZCPLLNGICRNGPT-QKLQHJQFSA-N 2 2 343.471 1.651 20 0 EDADLP CC[C@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[C@@H]1[NH3+] ZINC000647010025 452002953 /nfs/dbraw/zinc/00/29/53/452002953.db2.gz MWIQKMIGDTVANS-WMZOPIPTSA-N 2 2 331.460 1.718 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[C@H]1[NH3+] ZINC000647010024 452003134 /nfs/dbraw/zinc/00/31/34/452003134.db2.gz MWIQKMIGDTVANS-SJLPKXTDSA-N 2 2 331.460 1.718 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642980741 452005804 /nfs/dbraw/zinc/00/58/04/452005804.db2.gz LCDVBSTZVWTOGH-LSDHHAIUSA-N 2 2 347.463 1.215 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]1(N)CC[N@H+](C)C1 ZINC000649339197 452019131 /nfs/dbraw/zinc/01/91/31/452019131.db2.gz AJMLZKHVZKKDJB-IBGZPJMESA-N 2 2 345.491 1.180 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]1(N)CC[N@@H+](C)C1 ZINC000649339197 452019135 /nfs/dbraw/zinc/01/91/35/452019135.db2.gz AJMLZKHVZKKDJB-IBGZPJMESA-N 2 2 345.491 1.180 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)COC1(C)C[NH2+]C1 ZINC000649339194 452019513 /nfs/dbraw/zinc/01/95/13/452019513.db2.gz ABCBVPRKFPPVSC-UHFFFAOYSA-N 2 2 346.475 1.525 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000653569248 452020728 /nfs/dbraw/zinc/02/07/28/452020728.db2.gz IZLCORKZAUADNR-QGZVFWFLSA-N 2 2 334.460 1.447 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000653569248 452020734 /nfs/dbraw/zinc/02/07/34/452020734.db2.gz IZLCORKZAUADNR-QGZVFWFLSA-N 2 2 334.460 1.447 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)on1 ZINC000639682124 452021680 /nfs/dbraw/zinc/02/16/80/452021680.db2.gz LNJGHRLQMHJAAT-CQSZACIVSA-N 2 2 329.404 1.917 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)on1 ZINC000639682124 452021683 /nfs/dbraw/zinc/02/16/83/452021683.db2.gz LNJGHRLQMHJAAT-CQSZACIVSA-N 2 2 329.404 1.917 20 0 EDADLP COC[C@]1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC[NH2+]1 ZINC000649351705 452035045 /nfs/dbraw/zinc/03/50/45/452035045.db2.gz LBTCNBSBVXLIKP-IBGZPJMESA-N 2 2 346.475 1.141 20 0 EDADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000649351412 452035960 /nfs/dbraw/zinc/03/59/60/452035960.db2.gz VMKFAEOLIKIDOD-XJKSGUPXSA-N 2 2 338.883 1.340 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000649357679 452039837 /nfs/dbraw/zinc/03/98/37/452039837.db2.gz ADNJPLOSLYQWEQ-RYRKJORJSA-N 3 2 341.459 1.187 20 0 EDADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000644868206 452040180 /nfs/dbraw/zinc/04/01/80/452040180.db2.gz FRGFMWWERSGGSG-BHYGNILZSA-N 2 2 342.443 1.767 20 0 EDADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000644868206 452040189 /nfs/dbraw/zinc/04/01/89/452040189.db2.gz FRGFMWWERSGGSG-BHYGNILZSA-N 2 2 342.443 1.767 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3Cc4c[nH+]cn4C3)C2)cc1 ZINC000637716548 452040673 /nfs/dbraw/zinc/04/06/73/452040673.db2.gz JIBQSZGFZIASRP-IRXDYDNUSA-N 2 2 339.443 1.690 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@H]3Cc4c[nH+]cn4C3)C2)cc1 ZINC000637716548 452040677 /nfs/dbraw/zinc/04/06/77/452040677.db2.gz JIBQSZGFZIASRP-IRXDYDNUSA-N 2 2 339.443 1.690 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N[C@H]1CCCc2ccccc21 ZINC000653646339 452058574 /nfs/dbraw/zinc/05/85/74/452058574.db2.gz HGTDQSOLPJDWDJ-KRWDZBQOSA-N 2 2 339.443 1.726 20 0 EDADLP CN(C)c1[nH+]cc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000644903538 452061867 /nfs/dbraw/zinc/06/18/67/452061867.db2.gz DZBJMGJFEDWZAS-INIZCTEOSA-N 3 2 334.512 1.086 20 0 EDADLP CN(C)c1[nH+]cc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000644903538 452061873 /nfs/dbraw/zinc/06/18/73/452061873.db2.gz DZBJMGJFEDWZAS-INIZCTEOSA-N 3 2 334.512 1.086 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762523 452101770 /nfs/dbraw/zinc/10/17/70/452101770.db2.gz MVMKZSIGKLKDBP-QLCXLMDBSA-N 2 2 339.524 1.704 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762523 452101779 /nfs/dbraw/zinc/10/17/79/452101779.db2.gz MVMKZSIGKLKDBP-QLCXLMDBSA-N 2 2 339.524 1.704 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000639763394 452104154 /nfs/dbraw/zinc/10/41/54/452104154.db2.gz CPPHUROCPOLMMC-PBHICJAKSA-N 2 2 342.867 1.468 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000639763394 452104158 /nfs/dbraw/zinc/10/41/58/452104158.db2.gz CPPHUROCPOLMMC-PBHICJAKSA-N 2 2 342.867 1.468 20 0 EDADLP COc1ncncc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000647175207 452106681 /nfs/dbraw/zinc/10/66/81/452106681.db2.gz CBPVGWQTNQVHCM-HNNXBMFYSA-N 2 2 342.443 1.996 20 0 EDADLP COc1ncncc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000647175207 452106689 /nfs/dbraw/zinc/10/66/89/452106689.db2.gz CBPVGWQTNQVHCM-HNNXBMFYSA-N 2 2 342.443 1.996 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651838604 452108061 /nfs/dbraw/zinc/10/80/61/452108061.db2.gz AUHWZSNZCZYELJ-AWEZNQCLSA-N 2 2 334.464 1.066 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651838604 452108065 /nfs/dbraw/zinc/10/80/65/452108065.db2.gz AUHWZSNZCZYELJ-AWEZNQCLSA-N 2 2 334.464 1.066 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC[C@@H]1CCCCO1 ZINC000641620063 452140518 /nfs/dbraw/zinc/14/05/18/452140518.db2.gz COSAHHASJCTZIB-HOTGVXAUSA-N 2 2 349.541 1.137 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC[C@@H]1CCCCO1 ZINC000641620063 452140520 /nfs/dbraw/zinc/14/05/20/452140520.db2.gz COSAHHASJCTZIB-HOTGVXAUSA-N 2 2 349.541 1.137 20 0 EDADLP OCC1(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)COC1 ZINC000649614451 452168644 /nfs/dbraw/zinc/16/86/44/452168644.db2.gz WMUASKOBJHBRBO-OAHLLOKOSA-N 2 2 333.432 1.144 20 0 EDADLP OCC1(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)COC1 ZINC000649614451 452168654 /nfs/dbraw/zinc/16/86/54/452168654.db2.gz WMUASKOBJHBRBO-OAHLLOKOSA-N 2 2 333.432 1.144 20 0 EDADLP C[C@@](O)(C[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)C1CC1 ZINC000639890943 452220559 /nfs/dbraw/zinc/22/05/59/452220559.db2.gz DFSKIIOBQQSDQL-FUHWJXTLSA-N 2 2 326.481 1.085 20 0 EDADLP COCC1(CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000645234708 452227641 /nfs/dbraw/zinc/22/76/41/452227641.db2.gz WMDTUNOBTUOZCG-OAHLLOKOSA-N 2 2 338.496 1.271 20 0 EDADLP COCC1(CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000645234708 452227650 /nfs/dbraw/zinc/22/76/50/452227650.db2.gz WMDTUNOBTUOZCG-OAHLLOKOSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)cn21 ZINC000645273825 452252502 /nfs/dbraw/zinc/25/25/02/452252502.db2.gz RRTYSLOVUOKINL-SUMWQHHRSA-N 2 2 341.459 1.967 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)cn21 ZINC000645273825 452252506 /nfs/dbraw/zinc/25/25/06/452252506.db2.gz RRTYSLOVUOKINL-SUMWQHHRSA-N 2 2 341.459 1.967 20 0 EDADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641785865 452257411 /nfs/dbraw/zinc/25/74/11/452257411.db2.gz GDPOMURBNLRPLA-LJQANCHMSA-N 3 2 338.540 1.247 20 0 EDADLP CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641785925 452257538 /nfs/dbraw/zinc/25/75/38/452257538.db2.gz MOYVSCCCPVETGA-DLBZAZTESA-N 2 2 335.496 1.350 20 0 EDADLP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000641786292 452259192 /nfs/dbraw/zinc/25/91/92/452259192.db2.gz OZBVWRZABCQLGY-OKZBNKHCSA-N 2 2 325.497 1.330 20 0 EDADLP CCCn1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641787577 452262975 /nfs/dbraw/zinc/26/29/75/452262975.db2.gz CVLUPSYNHCSROC-SFHVURJKSA-N 2 2 335.496 1.179 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCSCC1 ZINC000641788376 452266520 /nfs/dbraw/zinc/26/65/20/452266520.db2.gz ZHFLOAOBINQHEJ-FUHWJXTLSA-N 2 2 341.565 1.904 20 0 EDADLP CC(C)([NH3+])CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000645288640 452267191 /nfs/dbraw/zinc/26/71/91/452267191.db2.gz XLPYCKWFGUUFDD-UHFFFAOYSA-N 2 2 332.448 1.333 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502902 452270295 /nfs/dbraw/zinc/27/02/95/452270295.db2.gz UXWNXUPOEWVQGX-KBPBESRZSA-N 2 2 325.478 1.744 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)c1ccc(F)cc1 ZINC000659428608 452272459 /nfs/dbraw/zinc/27/24/59/452272459.db2.gz CDDNWRDEAUOWEO-KVIBHRHWSA-N 2 2 343.406 1.781 20 0 EDADLP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655478122 452273068 /nfs/dbraw/zinc/27/30/68/452273068.db2.gz NNMRBVDQTUNUFX-INMHGKMJSA-N 2 2 332.448 1.190 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647551202 452276271 /nfs/dbraw/zinc/27/62/71/452276271.db2.gz ADKYKEQVSQFBSR-MAUKXSAKSA-N 2 2 330.476 1.761 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655485876 452281917 /nfs/dbraw/zinc/28/19/17/452281917.db2.gz KHGOTZGFGICDKY-FPCVCCKLSA-N 2 2 332.448 1.333 20 0 EDADLP Cc1n[nH]cc1C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000639970156 452297094 /nfs/dbraw/zinc/29/70/94/452297094.db2.gz CXIBESOXMFAVQL-QGZVFWFLSA-N 2 2 329.448 1.569 20 0 EDADLP Cc1n[nH]cc1C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000639970156 452297107 /nfs/dbraw/zinc/29/71/07/452297107.db2.gz CXIBESOXMFAVQL-QGZVFWFLSA-N 2 2 329.448 1.569 20 0 EDADLP CCCc1nc(C)c(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)o1 ZINC000641819962 452298950 /nfs/dbraw/zinc/29/89/50/452298950.db2.gz JVNFFVABQMYUML-UHFFFAOYSA-N 2 2 335.452 1.078 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538539 452300545 /nfs/dbraw/zinc/30/05/45/452300545.db2.gz MSUHEGPBGJFYDQ-AVGNSLFASA-N 2 2 329.441 1.301 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638052773 452329647 /nfs/dbraw/zinc/32/96/47/452329647.db2.gz AEYQQSYVPDPJMR-KRWDZBQOSA-N 2 2 329.444 1.695 20 0 EDADLP [NH3+]C[C@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCCOC1 ZINC000638061399 452353978 /nfs/dbraw/zinc/35/39/78/452353978.db2.gz FPROCGBBVJQOID-GOSISDBHSA-N 2 2 332.448 1.444 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@H]2c2ccnn2C)CC1 ZINC000649884807 452360845 /nfs/dbraw/zinc/36/08/45/452360845.db2.gz AOJCKFGTWGDESL-SFHVURJKSA-N 2 2 335.496 1.210 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@H]2c2ccnn2C)CC1 ZINC000649884807 452360852 /nfs/dbraw/zinc/36/08/52/452360852.db2.gz AOJCKFGTWGDESL-SFHVURJKSA-N 2 2 335.496 1.210 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000663642050 452384587 /nfs/dbraw/zinc/38/45/87/452384587.db2.gz OIYPNKCMHQTZOJ-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000663642050 452384595 /nfs/dbraw/zinc/38/45/95/452384595.db2.gz OIYPNKCMHQTZOJ-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000638078403 452392198 /nfs/dbraw/zinc/39/21/98/452392198.db2.gz ANIYSJYDGNIVEI-SFHVURJKSA-N 2 2 325.412 1.827 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cc2[nH+]1 ZINC000657629531 452402508 /nfs/dbraw/zinc/40/25/08/452402508.db2.gz COTIDMMWMDXHSU-HNNXBMFYSA-N 2 2 341.415 1.182 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)cc2[nH+]1 ZINC000657629531 452402515 /nfs/dbraw/zinc/40/25/15/452402515.db2.gz COTIDMMWMDXHSU-HNNXBMFYSA-N 2 2 341.415 1.182 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000659553666 452410382 /nfs/dbraw/zinc/41/03/82/452410382.db2.gz ALRRQKVRMMITDV-BQFCYCMXSA-N 2 2 347.507 1.228 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000659553666 452410387 /nfs/dbraw/zinc/41/03/87/452410387.db2.gz ALRRQKVRMMITDV-BQFCYCMXSA-N 2 2 347.507 1.228 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)CO ZINC000663681161 452416192 /nfs/dbraw/zinc/41/61/92/452416192.db2.gz JGAGZJXQAQYXEJ-ILXRZTDVSA-N 2 2 349.479 1.406 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)CO ZINC000663681161 452416196 /nfs/dbraw/zinc/41/61/96/452416196.db2.gz JGAGZJXQAQYXEJ-ILXRZTDVSA-N 2 2 349.479 1.406 20 0 EDADLP C[C@@H]1[C@H](O)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000655613374 452432919 /nfs/dbraw/zinc/43/29/19/452432919.db2.gz XYJNOBSJQMRWDM-HZPDHXFCSA-N 2 2 338.496 1.101 20 0 EDADLP C[C@@H](CNC(=O)NCCCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654394119 452446320 /nfs/dbraw/zinc/44/63/20/452446320.db2.gz IWHIEQKANGLTDK-HRCADAONSA-N 2 2 337.468 1.460 20 0 EDADLP C[C@@H](CNC(=O)NCCCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654394119 452446326 /nfs/dbraw/zinc/44/63/26/452446326.db2.gz IWHIEQKANGLTDK-HRCADAONSA-N 2 2 337.468 1.460 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)[C@H]1O ZINC000661628240 452447680 /nfs/dbraw/zinc/44/76/80/452447680.db2.gz CVFXOUJHFYEEAC-MNZLEMJZSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)[C@H]1O ZINC000661628240 452447684 /nfs/dbraw/zinc/44/76/84/452447684.db2.gz CVFXOUJHFYEEAC-MNZLEMJZSA-N 2 2 346.475 1.069 20 0 EDADLP COc1cccc([C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000663755258 452485337 /nfs/dbraw/zinc/48/53/37/452485337.db2.gz IGGCYDSHXLWZLQ-OAHLLOKOSA-N 2 2 336.480 1.939 20 0 EDADLP COc1cccc([C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000663755258 452485344 /nfs/dbraw/zinc/48/53/44/452485344.db2.gz IGGCYDSHXLWZLQ-OAHLLOKOSA-N 2 2 336.480 1.939 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652341204 452512409 /nfs/dbraw/zinc/51/24/09/452512409.db2.gz PYTMZTYVNNOMIE-PBFPGSCMSA-N 2 2 337.489 1.603 20 0 EDADLP c1cnc(N2CCC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)nc1 ZINC000655695069 452516934 /nfs/dbraw/zinc/51/69/34/452516934.db2.gz PVMAMXLAOCFYEP-IRXDYDNUSA-N 2 2 331.464 1.288 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])c1ccccc1 ZINC000652354862 452531031 /nfs/dbraw/zinc/53/10/31/452531031.db2.gz JWVPZUIIFBZPKP-YXJHDRRASA-N 2 2 346.475 1.039 20 0 EDADLP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])c1ccccc1 ZINC000652354862 452531041 /nfs/dbraw/zinc/53/10/41/452531041.db2.gz JWVPZUIIFBZPKP-YXJHDRRASA-N 2 2 346.475 1.039 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C[C@H]1C[NH3+] ZINC000652356884 452534419 /nfs/dbraw/zinc/53/44/19/452534419.db2.gz NAOCZDMLQXVNEF-KBRIMQKVSA-N 2 2 335.423 1.617 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C[C@H]1C[NH3+] ZINC000652356884 452534429 /nfs/dbraw/zinc/53/44/29/452534429.db2.gz NAOCZDMLQXVNEF-KBRIMQKVSA-N 2 2 335.423 1.617 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000657800540 452535612 /nfs/dbraw/zinc/53/56/12/452535612.db2.gz HCEYOHUBLHVBFF-UXHICEINSA-N 2 2 346.519 1.113 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)C1 ZINC000657800540 452535621 /nfs/dbraw/zinc/53/56/21/452535621.db2.gz HCEYOHUBLHVBFF-UXHICEINSA-N 2 2 346.519 1.113 20 0 EDADLP COCC[NH+]1CC[C@@H](NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000657800540 452535632 /nfs/dbraw/zinc/53/56/32/452535632.db2.gz HCEYOHUBLHVBFF-UXHICEINSA-N 2 2 346.519 1.113 20 0 EDADLP COCC[NH+]1CC[C@@H](NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000657800540 452535640 /nfs/dbraw/zinc/53/56/40/452535640.db2.gz HCEYOHUBLHVBFF-UXHICEINSA-N 2 2 346.519 1.113 20 0 EDADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N[C@@H]1CCOc2ccccc21 ZINC000647814420 452544332 /nfs/dbraw/zinc/54/43/32/452544332.db2.gz NHDYHSIOADBXAX-QGZVFWFLSA-N 2 2 329.444 1.843 20 0 EDADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N[C@@H]1CCOc2ccccc21 ZINC000647814420 452544339 /nfs/dbraw/zinc/54/43/39/452544339.db2.gz NHDYHSIOADBXAX-QGZVFWFLSA-N 2 2 329.444 1.843 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814717 452546938 /nfs/dbraw/zinc/54/69/38/452546938.db2.gz AXJLTDNZMUCBBP-QAPCUYQASA-N 2 2 337.508 1.914 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814717 452546949 /nfs/dbraw/zinc/54/69/49/452546949.db2.gz AXJLTDNZMUCBBP-QAPCUYQASA-N 2 2 337.508 1.914 20 0 EDADLP c1cc2cc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)ccc2[nH]1 ZINC000655736764 452548709 /nfs/dbraw/zinc/54/87/09/452548709.db2.gz RYFHPZIWVXZDTQ-GOSISDBHSA-N 2 2 328.460 1.664 20 0 EDADLP O[C@]1(C[NH2+]Cc2cc3n(n2)CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000655742582 452551937 /nfs/dbraw/zinc/55/19/37/452551937.db2.gz VGZOXEWPHBRCPK-FQEVSTJZSA-N 2 2 340.471 1.946 20 0 EDADLP O[C@]1(C[NH2+]Cc2cc3n(n2)CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000655742582 452551943 /nfs/dbraw/zinc/55/19/43/452551943.db2.gz VGZOXEWPHBRCPK-FQEVSTJZSA-N 2 2 340.471 1.946 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000647823578 452555911 /nfs/dbraw/zinc/55/59/11/452555911.db2.gz KSHIXSJJNQFQMX-ZWKOTPCHSA-N 2 2 342.443 1.666 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000647823578 452555920 /nfs/dbraw/zinc/55/59/20/452555920.db2.gz KSHIXSJJNQFQMX-ZWKOTPCHSA-N 2 2 342.443 1.666 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCC[C@@H]3CCOC3)C2)CC1 ZINC000652370977 452559718 /nfs/dbraw/zinc/55/97/18/452559718.db2.gz ZGYMQYHWVPTNLW-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCC[C@@H]3CCOC3)C2)CC1 ZINC000652370977 452559727 /nfs/dbraw/zinc/55/97/27/452559727.db2.gz ZGYMQYHWVPTNLW-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](Cn1cncn1)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000657850957 452566744 /nfs/dbraw/zinc/56/67/44/452566744.db2.gz ZXSMYAFUFYHWLR-MRXNPFEDSA-N 2 2 345.447 1.167 20 0 EDADLP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834906 452570050 /nfs/dbraw/zinc/57/00/50/452570050.db2.gz DPPSETQLZFGXPO-MRXNPFEDSA-N 2 2 330.476 1.191 20 0 EDADLP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834906 452570058 /nfs/dbraw/zinc/57/00/58/452570058.db2.gz DPPSETQLZFGXPO-MRXNPFEDSA-N 2 2 330.476 1.191 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000647835575 452574488 /nfs/dbraw/zinc/57/44/88/452574488.db2.gz CVBSNHPIYASSSE-UHFFFAOYSA-N 2 2 339.487 1.698 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000647835575 452574494 /nfs/dbraw/zinc/57/44/94/452574494.db2.gz CVBSNHPIYASSSE-UHFFFAOYSA-N 2 2 339.487 1.698 20 0 EDADLP C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000661828365 452613448 /nfs/dbraw/zinc/61/34/48/452613448.db2.gz SVCFJRLAJPSWJM-ARFHVFGLSA-N 2 2 344.459 1.012 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000652426313 452619282 /nfs/dbraw/zinc/61/92/82/452619282.db2.gz STOCNUZFVMDCAV-OAHLLOKOSA-N 2 2 349.479 1.557 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000652426313 452619286 /nfs/dbraw/zinc/61/92/86/452619286.db2.gz STOCNUZFVMDCAV-OAHLLOKOSA-N 2 2 349.479 1.557 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000647881543 452620191 /nfs/dbraw/zinc/62/01/91/452620191.db2.gz GBKWCAWRQUPOIZ-CQSZACIVSA-N 2 2 333.432 1.071 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657947881 452628291 /nfs/dbraw/zinc/62/82/91/452628291.db2.gz FOQSYHFYDBJQBT-HNNXBMFYSA-N 2 2 343.431 1.572 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663913437 452639442 /nfs/dbraw/zinc/63/94/42/452639442.db2.gz XRNZGPXLEIJHQW-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663913437 452639452 /nfs/dbraw/zinc/63/94/52/452639452.db2.gz XRNZGPXLEIJHQW-CABCVRRESA-N 2 2 326.485 1.127 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCOc1ccc(F)cc1 ZINC000647900570 452641909 /nfs/dbraw/zinc/64/19/09/452641909.db2.gz DDCZHNZAPHHPEZ-CRAIPNDOSA-N 2 2 349.450 1.785 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCOc1ccc(F)cc1 ZINC000647900570 452641919 /nfs/dbraw/zinc/64/19/19/452641919.db2.gz DDCZHNZAPHHPEZ-CRAIPNDOSA-N 2 2 349.450 1.785 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)n12 ZINC000647906719 452649271 /nfs/dbraw/zinc/64/92/71/452649271.db2.gz QBUWRQRPQHPUBY-CHWSQXEVSA-N 2 2 340.431 1.059 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)n12 ZINC000647906719 452649274 /nfs/dbraw/zinc/64/92/74/452649274.db2.gz QBUWRQRPQHPUBY-CHWSQXEVSA-N 2 2 340.431 1.059 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)n12 ZINC000647906722 452650106 /nfs/dbraw/zinc/65/01/06/452650106.db2.gz QBUWRQRPQHPUBY-STQMWFEESA-N 2 2 340.431 1.059 20 0 EDADLP Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)n12 ZINC000647906722 452650114 /nfs/dbraw/zinc/65/01/14/452650114.db2.gz QBUWRQRPQHPUBY-STQMWFEESA-N 2 2 340.431 1.059 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C(F)(F)F ZINC000655914865 452674199 /nfs/dbraw/zinc/67/41/99/452674199.db2.gz IODJFVYHOZZQLW-ZCFIWIBFSA-N 2 2 333.236 1.134 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655916463 452676969 /nfs/dbraw/zinc/67/69/69/452676969.db2.gz YUHNKCGLCWQTDL-ZETCQYMHSA-N 2 2 347.263 1.476 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCO[C@H]1CC1(F)F ZINC000666212643 452688971 /nfs/dbraw/zinc/68/89/71/452688971.db2.gz KJPNYAOOPXQIAH-AWEZNQCLSA-N 2 2 348.438 1.078 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCO[C@H]1CC1(F)F ZINC000666212643 452688978 /nfs/dbraw/zinc/68/89/78/452688978.db2.gz KJPNYAOOPXQIAH-AWEZNQCLSA-N 2 2 348.438 1.078 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)cn21 ZINC000655931927 452702596 /nfs/dbraw/zinc/70/25/96/452702596.db2.gz QPZKXSOLXFWGDI-NSHDSACASA-N 2 2 329.326 1.374 20 0 EDADLP COc1cccc(SCC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000659838104 452727017 /nfs/dbraw/zinc/72/70/17/452727017.db2.gz LZNWWFWBSCXRIQ-UHFFFAOYSA-N 2 2 337.489 1.493 20 0 EDADLP COc1cc2c(cc1OC)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2 ZINC000659853127 452736164 /nfs/dbraw/zinc/73/61/64/452736164.db2.gz DRCURSFOEVJYRR-QGZVFWFLSA-N 2 2 336.476 1.806 20 0 EDADLP COc1cc2c(cc1OC)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2 ZINC000659853127 452736170 /nfs/dbraw/zinc/73/61/70/452736170.db2.gz DRCURSFOEVJYRR-QGZVFWFLSA-N 2 2 336.476 1.806 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860674 452742166 /nfs/dbraw/zinc/74/21/66/452742166.db2.gz AYSQCQURTDGZSZ-SFHVURJKSA-N 3 2 327.513 1.122 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860674 452742176 /nfs/dbraw/zinc/74/21/76/452742176.db2.gz AYSQCQURTDGZSZ-SFHVURJKSA-N 3 2 327.513 1.122 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000654701056 452822902 /nfs/dbraw/zinc/82/29/02/452822902.db2.gz UOLFJMMONWCZIK-AWEZNQCLSA-N 2 2 330.432 1.845 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000654701056 452822908 /nfs/dbraw/zinc/82/29/08/452822908.db2.gz UOLFJMMONWCZIK-AWEZNQCLSA-N 2 2 330.432 1.845 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)CO1 ZINC000664150729 452824198 /nfs/dbraw/zinc/82/41/98/452824198.db2.gz ATEWETWSIRXIQX-OAGGEKHMSA-N 2 2 342.528 1.761 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)CO1 ZINC000664150729 452824204 /nfs/dbraw/zinc/82/42/04/452824204.db2.gz ATEWETWSIRXIQX-OAGGEKHMSA-N 2 2 342.528 1.761 20 0 EDADLP CC1(C)[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(F)F ZINC000658284611 452831102 /nfs/dbraw/zinc/83/11/02/452831102.db2.gz ZFCBCTXCNXYGGF-OAHLLOKOSA-N 2 2 331.451 1.664 20 0 EDADLP CC1(C)[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(F)F ZINC000658284611 452831105 /nfs/dbraw/zinc/83/11/05/452831105.db2.gz ZFCBCTXCNXYGGF-OAHLLOKOSA-N 2 2 331.451 1.664 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982506 452892166 /nfs/dbraw/zinc/89/21/66/452892166.db2.gz OUAZVJGUWWRQSY-INIZCTEOSA-N 2 2 339.505 1.758 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982506 452892174 /nfs/dbraw/zinc/89/21/74/452892174.db2.gz OUAZVJGUWWRQSY-INIZCTEOSA-N 2 2 339.505 1.758 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982506 452892181 /nfs/dbraw/zinc/89/21/81/452892181.db2.gz OUAZVJGUWWRQSY-INIZCTEOSA-N 2 2 339.505 1.758 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982506 452892188 /nfs/dbraw/zinc/89/21/88/452892188.db2.gz OUAZVJGUWWRQSY-INIZCTEOSA-N 2 2 339.505 1.758 20 0 EDADLP CC1(C)CCCN(c2cc[nH+]c(N3CC[N@@H+]4CCOC[C@@H]4C3)n2)C1 ZINC000656158575 452912356 /nfs/dbraw/zinc/91/23/56/452912356.db2.gz AOIDQRWKEPBJSR-HNNXBMFYSA-N 2 2 331.464 1.624 20 0 EDADLP CC1(C)CCCN(c2cc[nH+]c(N3CC[N@H+]4CCOC[C@@H]4C3)n2)C1 ZINC000656158575 452912362 /nfs/dbraw/zinc/91/23/62/452912362.db2.gz AOIDQRWKEPBJSR-HNNXBMFYSA-N 2 2 331.464 1.624 20 0 EDADLP Cc1cc(F)ccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658425584 452951265 /nfs/dbraw/zinc/95/12/65/452951265.db2.gz BUKAQZRZZCANRK-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1cc(F)ccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658425584 452951278 /nfs/dbraw/zinc/95/12/78/452951278.db2.gz BUKAQZRZZCANRK-UHFFFAOYSA-N 2 2 338.427 1.072 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977518 452962499 /nfs/dbraw/zinc/96/24/99/452962499.db2.gz DYIIJYYJQQVOED-YJBOKZPZSA-N 3 2 330.476 1.280 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977518 452962517 /nfs/dbraw/zinc/96/25/17/452962517.db2.gz DYIIJYYJQQVOED-YJBOKZPZSA-N 3 2 330.476 1.280 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645977518 452962528 /nfs/dbraw/zinc/96/25/28/452962528.db2.gz DYIIJYYJQQVOED-YJBOKZPZSA-N 2 2 330.476 1.280 20 0 EDADLP CCC(C)(C)[NH+]1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000656214945 452965547 /nfs/dbraw/zinc/96/55/47/452965547.db2.gz MJOAVAPUMXWDEK-UHFFFAOYSA-N 2 2 346.479 1.066 20 0 EDADLP OCC1([NH2+]Cc2cc(Br)cc(F)c2F)CC[NH2+]CC1 ZINC000662285067 453008816 /nfs/dbraw/zinc/00/88/16/453008816.db2.gz VXYXQZZRAURUSL-UHFFFAOYSA-N 2 2 335.192 1.931 20 0 EDADLP Cc1ccc([C@H](NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C2CC2)cc1 ZINC000662285389 453008966 /nfs/dbraw/zinc/00/89/66/453008966.db2.gz FTTJLASVPFXAAP-SFHVURJKSA-N 2 2 331.460 1.266 20 0 EDADLP Cc1cc(F)ccc1CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664373631 453044428 /nfs/dbraw/zinc/04/44/28/453044428.db2.gz YOZRUTMEBZUABC-UHFFFAOYSA-N 2 2 338.471 1.859 20 0 EDADLP Cc1cc(F)ccc1CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664373631 453044436 /nfs/dbraw/zinc/04/44/36/453044436.db2.gz YOZRUTMEBZUABC-UHFFFAOYSA-N 2 2 338.471 1.859 20 0 EDADLP CCc1nnc([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH]1 ZINC000660127012 453052536 /nfs/dbraw/zinc/05/25/36/453052536.db2.gz DMFXSUBUPDQYSV-JZWPEALZSA-N 2 2 332.496 1.671 20 0 EDADLP CCc1nnc([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]1 ZINC000660127012 453052541 /nfs/dbraw/zinc/05/25/41/453052541.db2.gz DMFXSUBUPDQYSV-JZWPEALZSA-N 2 2 332.496 1.671 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664410438 453073320 /nfs/dbraw/zinc/07/33/20/453073320.db2.gz VVLQDOVETZPJOW-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664410438 453073327 /nfs/dbraw/zinc/07/33/27/453073327.db2.gz VVLQDOVETZPJOW-BZUAXINKSA-N 2 2 326.485 1.269 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662364178 453073673 /nfs/dbraw/zinc/07/36/73/453073673.db2.gz GPWLFTVJHQQCTO-UHFFFAOYSA-N 2 2 339.399 1.762 20 0 EDADLP COCC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000654968195 453088054 /nfs/dbraw/zinc/08/80/54/453088054.db2.gz XXERALPPZJXXSM-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP COCC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000654968195 453088064 /nfs/dbraw/zinc/08/80/64/453088064.db2.gz XXERALPPZJXXSM-KRWDZBQOSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103846 453106868 /nfs/dbraw/zinc/10/68/68/453106868.db2.gz QIZHNTZHSLCFSJ-MRXNPFEDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103846 453106876 /nfs/dbraw/zinc/10/68/76/453106876.db2.gz QIZHNTZHSLCFSJ-MRXNPFEDSA-N 2 2 331.460 1.488 20 0 EDADLP Cn1cc([C@@H]2CN(C(=O)Nc3ccn4cc[nH+]c4c3)C[C@H]2[NH3+])cn1 ZINC000644183741 453112090 /nfs/dbraw/zinc/11/20/90/453112090.db2.gz TUGZHHSULGXDHW-UONOGXRCSA-N 2 2 325.376 1.026 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662407344 453119033 /nfs/dbraw/zinc/11/90/33/453119033.db2.gz YYXOXSJPMAIILD-AWEZNQCLSA-N 2 2 336.399 1.602 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000664474834 453127012 /nfs/dbraw/zinc/12/70/12/453127012.db2.gz KKFAHCNDPJBHJO-CVEARBPZSA-N 2 2 335.452 1.319 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000664474834 453127020 /nfs/dbraw/zinc/12/70/20/453127020.db2.gz KKFAHCNDPJBHJO-CVEARBPZSA-N 2 2 335.452 1.319 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)[C@H](C[NH3+])C1 ZINC000666778822 453142069 /nfs/dbraw/zinc/14/20/69/453142069.db2.gz FXAPYOJEEOWKPU-NVXWUHKLSA-N 2 2 348.447 1.351 20 0 EDADLP CC(C)(CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000660250013 453155030 /nfs/dbraw/zinc/15/50/30/453155030.db2.gz PRQSJRYHLPGJDO-MRXNPFEDSA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000662458247 453166300 /nfs/dbraw/zinc/16/63/00/453166300.db2.gz RWYBHDJWESRCRL-CQSZACIVSA-N 3 2 348.516 1.292 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000662458247 453166306 /nfs/dbraw/zinc/16/63/06/453166306.db2.gz RWYBHDJWESRCRL-CQSZACIVSA-N 3 2 348.516 1.292 20 0 EDADLP Cc1nnc(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000664538484 453178261 /nfs/dbraw/zinc/17/82/61/453178261.db2.gz FEUYSEATPSAOLQ-UHFFFAOYSA-N 2 2 340.497 1.014 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000648723469 453210786 /nfs/dbraw/zinc/21/07/86/453210786.db2.gz WQKSHNJFMMAIDW-HZPDHXFCSA-N 2 2 336.480 1.870 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666892481 453219108 /nfs/dbraw/zinc/21/91/08/453219108.db2.gz PKRFPHKGTIGKIW-JKSUJKDBSA-N 2 2 326.444 1.804 20 0 EDADLP CC[C@H](C)C(=O)Nc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653067539 453245867 /nfs/dbraw/zinc/24/58/67/453245867.db2.gz CIRIPKFTBSJACM-XJKSGUPXSA-N 2 2 334.464 1.566 20 0 EDADLP CN(C)C(=O)c1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1Cl ZINC000653068794 453247929 /nfs/dbraw/zinc/24/79/29/453247929.db2.gz RACMSLWIVZDIAK-ZDUSSCGKSA-N 2 2 326.828 1.259 20 0 EDADLP CN(CCCOc1cccc(Cl)c1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075230 453254458 /nfs/dbraw/zinc/25/44/58/453254458.db2.gz KFDRHUVTNYMQSC-OAHLLOKOSA-N 2 2 327.856 1.846 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000653082662 453264010 /nfs/dbraw/zinc/26/40/10/453264010.db2.gz ACASFXZUPGJWRO-CQSZACIVSA-N 2 2 328.420 1.567 20 0 EDADLP CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653086143 453267989 /nfs/dbraw/zinc/26/79/89/453267989.db2.gz HYGGXPQUBZFHQT-INIZCTEOSA-N 2 2 334.464 1.016 20 0 EDADLP COc1cc(F)cc2sc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc21 ZINC000653086955 453268966 /nfs/dbraw/zinc/26/89/66/453268966.db2.gz HTBDEYBFUKUKNH-SECBINFHSA-N 2 2 326.397 1.662 20 0 EDADLP CC(=O)N(Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1)C(C)C ZINC000653092528 453275208 /nfs/dbraw/zinc/27/52/08/453275208.db2.gz CQMMXHBKOACWLC-QGZVFWFLSA-N 2 2 334.464 1.661 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121466 453313703 /nfs/dbraw/zinc/31/37/03/453313703.db2.gz WANYHWRRQZGAPS-KBAYOESNSA-N 3 2 332.492 1.292 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121466 453313711 /nfs/dbraw/zinc/31/37/11/453313711.db2.gz WANYHWRRQZGAPS-KBAYOESNSA-N 3 2 332.492 1.292 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662591850 453318738 /nfs/dbraw/zinc/31/87/38/453318738.db2.gz VIUHBRSKFKLMGX-MJGOQNOKSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662591850 453318744 /nfs/dbraw/zinc/31/87/44/453318744.db2.gz VIUHBRSKFKLMGX-MJGOQNOKSA-N 2 2 349.519 1.868 20 0 EDADLP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660473723 453335037 /nfs/dbraw/zinc/33/50/37/453335037.db2.gz UDUZJTVDFBKIRH-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP CNC(=O)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660473723 453335041 /nfs/dbraw/zinc/33/50/41/453335041.db2.gz UDUZJTVDFBKIRH-SFHVURJKSA-N 2 2 331.460 1.733 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000648864385 453339076 /nfs/dbraw/zinc/33/90/76/453339076.db2.gz FMTHEEWXJVUUDT-JKSUJKDBSA-N 2 2 335.496 1.539 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000648864385 453339086 /nfs/dbraw/zinc/33/90/86/453339086.db2.gz FMTHEEWXJVUUDT-JKSUJKDBSA-N 2 2 335.496 1.539 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000653154082 453341616 /nfs/dbraw/zinc/34/16/16/453341616.db2.gz IHVXRYWUZQJLND-MRXNPFEDSA-N 2 2 344.459 1.593 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC000662627636 453345266 /nfs/dbraw/zinc/34/52/66/453345266.db2.gz RKZZUGJBANOHNS-NWDGAFQWSA-N 2 2 325.375 1.272 20 0 EDADLP CCCN1c2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2CCC1=O ZINC000653156882 453348625 /nfs/dbraw/zinc/34/86/25/453348625.db2.gz OMWXVCBJAVGSTP-HNNXBMFYSA-N 2 2 332.448 1.593 20 0 EDADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653158756 453350784 /nfs/dbraw/zinc/35/07/84/453350784.db2.gz KQLKFPRZBNWDIY-MSOLQXFVSA-N 3 2 348.491 1.227 20 0 EDADLP C[C@@H]1C[C@@H](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000653158195 453351415 /nfs/dbraw/zinc/35/14/15/453351415.db2.gz XIJJXWBTUQAQSC-BHIYHBOVSA-N 3 2 346.519 1.682 20 0 EDADLP C[C@@H]1C[C@@H](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000653158195 453351425 /nfs/dbraw/zinc/35/14/25/453351425.db2.gz XIJJXWBTUQAQSC-BHIYHBOVSA-N 3 2 346.519 1.682 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000653160403 453353304 /nfs/dbraw/zinc/35/33/04/453353304.db2.gz HSCQVNITCIGVAZ-KRWDZBQOSA-N 2 2 341.459 1.162 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653169042 453360219 /nfs/dbraw/zinc/36/02/19/453360219.db2.gz ZYWNHXOFDQWIEJ-WMZOPIPTSA-N 3 2 338.540 1.769 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653169042 453360223 /nfs/dbraw/zinc/36/02/23/453360223.db2.gz ZYWNHXOFDQWIEJ-WMZOPIPTSA-N 3 2 338.540 1.769 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)on1 ZINC000662671485 453386621 /nfs/dbraw/zinc/38/66/21/453386621.db2.gz UGIXBYLVGSQEDM-UHFFFAOYSA-N 2 2 342.443 1.869 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000662673259 453388941 /nfs/dbraw/zinc/38/89/41/453388941.db2.gz JVQXQESPPSETOG-HZPDHXFCSA-N 2 2 341.402 1.438 20 0 EDADLP C[C@H](c1cccc(NC(=O)NCC[NH2+]C2CC2)c1)[NH+]1CCOCC1 ZINC000667075644 453389857 /nfs/dbraw/zinc/38/98/57/453389857.db2.gz YQPPTDWWLFWGDF-CQSZACIVSA-N 2 2 332.448 1.953 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653202612 453397317 /nfs/dbraw/zinc/39/73/17/453397317.db2.gz PDRKKGJDKPRMQI-IMBTUZDBSA-N 3 2 346.519 1.775 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653202612 453397320 /nfs/dbraw/zinc/39/73/20/453397320.db2.gz PDRKKGJDKPRMQI-IMBTUZDBSA-N 3 2 346.519 1.775 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)[C@H](C)CO1 ZINC000664785537 453403988 /nfs/dbraw/zinc/40/39/88/453403988.db2.gz RMFVBLFMNBXYGH-BZUAXINKSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)[C@H](C)CO1 ZINC000664785537 453403997 /nfs/dbraw/zinc/40/39/97/453403997.db2.gz RMFVBLFMNBXYGH-BZUAXINKSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@H](C)CO1 ZINC000664785537 453404006 /nfs/dbraw/zinc/40/40/06/453404006.db2.gz RMFVBLFMNBXYGH-BZUAXINKSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@H](C)CO1 ZINC000664785537 453404016 /nfs/dbraw/zinc/40/40/16/453404016.db2.gz RMFVBLFMNBXYGH-BZUAXINKSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CC(=O)N(CC[NH+]1CCOCC1)CC1CC1)C1CC[NH2+]CC1 ZINC000662703504 453426418 /nfs/dbraw/zinc/42/64/18/453426418.db2.gz KXZGOXBMRYWPFQ-MRXNPFEDSA-N 2 2 337.508 1.583 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000664919015 453482902 /nfs/dbraw/zinc/48/29/02/453482902.db2.gz DJERVBZNCSMWKA-OWCLPIDISA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000664919015 453482911 /nfs/dbraw/zinc/48/29/11/453482911.db2.gz DJERVBZNCSMWKA-OWCLPIDISA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664919015 453482919 /nfs/dbraw/zinc/48/29/19/453482919.db2.gz DJERVBZNCSMWKA-OWCLPIDISA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664919015 453482924 /nfs/dbraw/zinc/48/29/24/453482924.db2.gz DJERVBZNCSMWKA-OWCLPIDISA-N 2 2 328.501 1.515 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000660656235 453494516 /nfs/dbraw/zinc/49/45/16/453494516.db2.gz KBVONIICROUCHL-PXNSSMCTSA-N 2 2 343.471 1.524 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000660656235 453494521 /nfs/dbraw/zinc/49/45/21/453494521.db2.gz KBVONIICROUCHL-PXNSSMCTSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000660656235 453494526 /nfs/dbraw/zinc/49/45/26/453494526.db2.gz KBVONIICROUCHL-PXNSSMCTSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC[C@@H]1Cc3ccccc3O1)C2 ZINC000660656235 453494531 /nfs/dbraw/zinc/49/45/31/453494531.db2.gz KBVONIICROUCHL-PXNSSMCTSA-N 2 2 343.471 1.524 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660664494 453500709 /nfs/dbraw/zinc/50/07/09/453500709.db2.gz IYDUPXZRICVTBM-CQSZACIVSA-N 2 2 327.419 1.790 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660664494 453500720 /nfs/dbraw/zinc/50/07/20/453500720.db2.gz IYDUPXZRICVTBM-CQSZACIVSA-N 2 2 327.419 1.790 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660664494 453500725 /nfs/dbraw/zinc/50/07/25/453500725.db2.gz IYDUPXZRICVTBM-CQSZACIVSA-N 2 2 327.419 1.790 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660664494 453500730 /nfs/dbraw/zinc/50/07/30/453500730.db2.gz IYDUPXZRICVTBM-CQSZACIVSA-N 2 2 327.419 1.790 20 0 EDADLP O=C(CC[NH2+]C1(CCO)CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000660678268 453508815 /nfs/dbraw/zinc/50/88/15/453508815.db2.gz KCRVGCRMNLIWNI-UHFFFAOYSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000660707013 453534637 /nfs/dbraw/zinc/53/46/37/453534637.db2.gz KVHUCDPBMSWXED-GVDBMIGSSA-N 2 2 340.512 1.515 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000667327695 453561127 /nfs/dbraw/zinc/56/11/27/453561127.db2.gz VQMVEQJTDAMFPP-INIZCTEOSA-N 2 2 325.416 1.683 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000667327695 453561133 /nfs/dbraw/zinc/56/11/33/453561133.db2.gz VQMVEQJTDAMFPP-INIZCTEOSA-N 2 2 325.416 1.683 20 0 EDADLP Cc1c(C[NH3+])c(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)nn1C ZINC000662837117 453562213 /nfs/dbraw/zinc/56/22/13/453562213.db2.gz JYBGGKGSJVTORJ-ZDUSSCGKSA-N 2 2 327.432 1.573 20 0 EDADLP Cc1c(C[NH3+])c(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)nn1C ZINC000662837117 453562217 /nfs/dbraw/zinc/56/22/17/453562217.db2.gz JYBGGKGSJVTORJ-ZDUSSCGKSA-N 2 2 327.432 1.573 20 0 EDADLP Cc1c(C[NH3+])c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1C ZINC000662837734 453563560 /nfs/dbraw/zinc/56/35/60/453563560.db2.gz VKMMJNZENBKNLH-INIZCTEOSA-N 2 2 343.431 1.027 20 0 EDADLP Cc1c(C[NH3+])c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1C ZINC000662837734 453563562 /nfs/dbraw/zinc/56/35/62/453563562.db2.gz VKMMJNZENBKNLH-INIZCTEOSA-N 2 2 343.431 1.027 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850965 453570908 /nfs/dbraw/zinc/57/09/08/453570908.db2.gz UDSAFYBERVVSBY-MANSERQUSA-N 2 2 343.471 1.616 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850965 453570910 /nfs/dbraw/zinc/57/09/10/453570910.db2.gz UDSAFYBERVVSBY-MANSERQUSA-N 2 2 343.471 1.616 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000660849592 453606398 /nfs/dbraw/zinc/60/63/98/453606398.db2.gz ZSIOHPRCSOALJR-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000660849592 453606401 /nfs/dbraw/zinc/60/64/01/453606401.db2.gz ZSIOHPRCSOALJR-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000660854575 453611624 /nfs/dbraw/zinc/61/16/24/453611624.db2.gz ZIFYMDSOSSNYPD-IAGOWNOFSA-N 2 2 339.528 1.042 20 0 EDADLP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)CC2 ZINC000665292791 453638974 /nfs/dbraw/zinc/63/89/74/453638974.db2.gz JRCWLIMCLXPFOJ-CYBMUJFWSA-N 2 2 330.388 1.435 20 0 EDADLP Cc1c(F)cccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091705 453674596 /nfs/dbraw/zinc/67/45/96/453674596.db2.gz OPHLBCZQUJEQQN-UHFFFAOYSA-N 2 2 331.457 1.296 20 0 EDADLP Cc1c(F)cccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091705 453674600 /nfs/dbraw/zinc/67/46/00/453674600.db2.gz OPHLBCZQUJEQQN-UHFFFAOYSA-N 2 2 331.457 1.296 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[NH+]2CCOCC2)cc1 ZINC000659280693 453698917 /nfs/dbraw/zinc/69/89/17/453698917.db2.gz UJLIHQDNGJKKCF-ZWKOTPCHSA-N 2 2 349.475 1.237 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000665609381 453764998 /nfs/dbraw/zinc/76/49/98/453764998.db2.gz DBTIFFIGWTTXMZ-UHFFFAOYSA-N 2 2 344.463 1.877 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000665609381 453765002 /nfs/dbraw/zinc/76/50/02/453765002.db2.gz DBTIFFIGWTTXMZ-UHFFFAOYSA-N 2 2 344.463 1.877 20 0 EDADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000657344868 453770108 /nfs/dbraw/zinc/77/01/08/453770108.db2.gz FTNRGQUUDMNHHP-CYBMUJFWSA-N 2 2 348.472 1.930 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663363823 453780259 /nfs/dbraw/zinc/78/02/59/453780259.db2.gz NCOBTNWPMVFEAQ-VQTJNVASSA-N 3 2 347.503 1.322 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663363823 453780261 /nfs/dbraw/zinc/78/02/61/453780261.db2.gz NCOBTNWPMVFEAQ-VQTJNVASSA-N 3 2 347.503 1.322 20 0 EDADLP CCOCC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663373057 453782668 /nfs/dbraw/zinc/78/26/68/453782668.db2.gz XHTAGHSAHJUKQY-RBUKOAKNSA-N 2 2 335.492 1.180 20 0 EDADLP CCOCC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663373057 453782669 /nfs/dbraw/zinc/78/26/69/453782669.db2.gz XHTAGHSAHJUKQY-RBUKOAKNSA-N 2 2 335.492 1.180 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)Nc1cnc(N[C@@H](C)Cn2cc[nH+]c2)cn1 ZINC000663386977 453786494 /nfs/dbraw/zinc/78/64/94/453786494.db2.gz VIUJBIKMIJVXGQ-OKILXGFUSA-N 2 2 326.408 1.871 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663390837 453787509 /nfs/dbraw/zinc/78/75/09/453787509.db2.gz ZJVTWTXRILCGMQ-OAHLLOKOSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNc2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663390837 453787512 /nfs/dbraw/zinc/78/75/12/453787512.db2.gz ZJVTWTXRILCGMQ-OAHLLOKOSA-N 2 2 333.480 1.972 20 0 EDADLP CC[NH+]1CCN(CCNc2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663400017 453789545 /nfs/dbraw/zinc/78/95/45/453789545.db2.gz VJRXMYPTUIEMEV-UHFFFAOYSA-N 2 2 342.285 1.905 20 0 EDADLP CC[NH+](CC)CCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000663401326 453790201 /nfs/dbraw/zinc/79/02/01/453790201.db2.gz KFQPMWKJSYCNGU-CYBMUJFWSA-N 2 2 325.457 1.121 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)CO1 ZINC000663410209 453791708 /nfs/dbraw/zinc/79/17/08/453791708.db2.gz ZOUMXSONGITZHK-KBPBESRZSA-N 2 2 340.512 1.704 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)CO1 ZINC000663410209 453791710 /nfs/dbraw/zinc/79/17/10/453791710.db2.gz ZOUMXSONGITZHK-KBPBESRZSA-N 2 2 340.512 1.704 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000663421280 453793486 /nfs/dbraw/zinc/79/34/86/453793486.db2.gz YJKNWIGFDLLAPQ-MRXNPFEDSA-N 2 2 326.485 1.221 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000680069823 486701315 /nfs/dbraw/zinc/70/13/15/486701315.db2.gz QSAPCWQFDYECIH-INIZCTEOSA-N 2 2 337.414 1.921 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000680069823 486701317 /nfs/dbraw/zinc/70/13/17/486701317.db2.gz QSAPCWQFDYECIH-INIZCTEOSA-N 2 2 337.414 1.921 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NCC1([NH+]2CCOCC2)CC1 ZINC000683382963 486702550 /nfs/dbraw/zinc/70/25/50/486702550.db2.gz DQQCLEOSUKKHFV-UHFFFAOYSA-N 2 2 344.459 1.166 20 0 EDADLP CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](C[C@@H]([NH3+])CC(C)C)C2)no1 ZINC000414752771 486730351 /nfs/dbraw/zinc/73/03/51/486730351.db2.gz LGLDMNPRRZJAIO-GJZGRUSLSA-N 2 2 337.468 1.428 20 0 EDADLP CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2)no1 ZINC000414752771 486730356 /nfs/dbraw/zinc/73/03/56/486730356.db2.gz LGLDMNPRRZJAIO-GJZGRUSLSA-N 2 2 337.468 1.428 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNc2nc(N3CCOCC3)cc[nH+]2)C[C@@H](C)O1 ZINC000676306154 486730601 /nfs/dbraw/zinc/73/06/01/486730601.db2.gz ZPZCXPWSDVZZOG-HUUCEWRRSA-N 2 2 349.479 1.613 20 0 EDADLP CN(C)c1cc[nH+]c(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)c1 ZINC000680257596 486731653 /nfs/dbraw/zinc/73/16/53/486731653.db2.gz TXQAWGSBDMBYML-UHFFFAOYSA-N 2 2 340.431 1.547 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000676312745 486734290 /nfs/dbraw/zinc/73/42/90/486734290.db2.gz FVULIMGUWRVQMW-UHFFFAOYSA-N 2 2 337.387 1.946 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415643616 486761704 /nfs/dbraw/zinc/76/17/04/486761704.db2.gz JKDMBAQFFRNHQZ-OLZOCXBDSA-N 2 2 327.388 1.197 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2C[N@H+](C)CCO2)c(C)c1 ZINC000676732991 486857484 /nfs/dbraw/zinc/85/74/84/486857484.db2.gz KMZKUEZNGUAZAX-ROUUACIJSA-N 2 2 342.443 1.688 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2C[N@@H+](C)CCO2)c(C)c1 ZINC000676732991 486857487 /nfs/dbraw/zinc/85/74/87/486857487.db2.gz KMZKUEZNGUAZAX-ROUUACIJSA-N 2 2 342.443 1.688 20 0 EDADLP COCc1cncc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680928657 486896195 /nfs/dbraw/zinc/89/61/95/486896195.db2.gz IHCGESFWNXMVBA-GOSISDBHSA-N 2 2 346.475 1.469 20 0 EDADLP COCc1cncc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000680928657 486896196 /nfs/dbraw/zinc/89/61/96/486896196.db2.gz IHCGESFWNXMVBA-GOSISDBHSA-N 2 2 346.475 1.469 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681219119 486977062 /nfs/dbraw/zinc/97/70/62/486977062.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681219119 486977065 /nfs/dbraw/zinc/97/70/65/486977065.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681219119 486977068 /nfs/dbraw/zinc/97/70/68/486977068.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681219119 486977070 /nfs/dbraw/zinc/97/70/70/486977070.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 3 2 349.523 1.033 20 0 EDADLP COC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000681217770 486977372 /nfs/dbraw/zinc/97/73/72/486977372.db2.gz XCEJNNPECZPAIP-IAGOWNOFSA-N 2 2 338.496 1.221 20 0 EDADLP COC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000681217770 486977373 /nfs/dbraw/zinc/97/73/73/486977373.db2.gz XCEJNNPECZPAIP-IAGOWNOFSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000677290647 487034089 /nfs/dbraw/zinc/03/40/89/487034089.db2.gz ONBYVTLZTCTBHU-JQHSSLGASA-N 3 2 338.540 1.732 20 0 EDADLP C[C@@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000677290647 487034093 /nfs/dbraw/zinc/03/40/93/487034093.db2.gz ONBYVTLZTCTBHU-JQHSSLGASA-N 3 2 338.540 1.732 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515924 487037948 /nfs/dbraw/zinc/03/79/48/487037948.db2.gz FGUARWRPRKIGBA-IRXDYDNUSA-N 2 2 326.400 1.153 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000673515924 487037949 /nfs/dbraw/zinc/03/79/49/487037949.db2.gz FGUARWRPRKIGBA-IRXDYDNUSA-N 2 2 326.400 1.153 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000077805312 487068222 /nfs/dbraw/zinc/06/82/22/487068222.db2.gz ZGPAMJZTYFGZBH-HNNXBMFYSA-N 2 2 333.480 1.936 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000673662805 487081718 /nfs/dbraw/zinc/08/17/18/487081718.db2.gz ULTFJVCQTDTNQH-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C1 ZINC000673662805 487081723 /nfs/dbraw/zinc/08/17/23/487081723.db2.gz ULTFJVCQTDTNQH-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000673662805 487081728 /nfs/dbraw/zinc/08/17/28/487081728.db2.gz ULTFJVCQTDTNQH-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000673662805 487081732 /nfs/dbraw/zinc/08/17/32/487081732.db2.gz ULTFJVCQTDTNQH-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000673667605 487083140 /nfs/dbraw/zinc/08/31/40/487083140.db2.gz CZUUBWYOJCCISG-HZPDHXFCSA-N 2 2 333.480 1.420 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000677985619 487220241 /nfs/dbraw/zinc/22/02/41/487220241.db2.gz UVODTXATBQAVIS-QZTJIDSGSA-N 2 2 335.492 1.574 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000677985619 487220244 /nfs/dbraw/zinc/22/02/44/487220244.db2.gz UVODTXATBQAVIS-QZTJIDSGSA-N 2 2 335.492 1.574 20 0 EDADLP C[C@H](CO)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000678045584 487233073 /nfs/dbraw/zinc/23/30/73/487233073.db2.gz NVCSRRONDQGAGS-ROUUACIJSA-N 2 2 332.492 1.544 20 0 EDADLP C[C@H](CO)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000678045584 487233076 /nfs/dbraw/zinc/23/30/76/487233076.db2.gz NVCSRRONDQGAGS-ROUUACIJSA-N 2 2 332.492 1.544 20 0 EDADLP C[C@@H]1CC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000678065676 487238015 /nfs/dbraw/zinc/23/80/15/487238015.db2.gz DCRRIOARPSESPR-RBSFLKMASA-N 2 2 338.496 1.410 20 0 EDADLP C[C@@H]1CC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000678065676 487238018 /nfs/dbraw/zinc/23/80/18/487238018.db2.gz DCRRIOARPSESPR-RBSFLKMASA-N 2 2 338.496 1.410 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)o1 ZINC000682005448 487277572 /nfs/dbraw/zinc/27/75/72/487277572.db2.gz WZQBYHZHJOFDRI-UHFFFAOYSA-N 2 2 337.464 1.650 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)o1 ZINC000682005448 487277576 /nfs/dbraw/zinc/27/75/76/487277576.db2.gz WZQBYHZHJOFDRI-UHFFFAOYSA-N 2 2 337.464 1.650 20 0 EDADLP CN(C)c1ncc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000685457603 487277985 /nfs/dbraw/zinc/27/79/85/487277985.db2.gz GIYNDZQBBHSDQA-OAHLLOKOSA-N 2 2 337.537 1.809 20 0 EDADLP CN(C)c1ncc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000685457603 487277987 /nfs/dbraw/zinc/27/79/87/487277987.db2.gz GIYNDZQBBHSDQA-OAHLLOKOSA-N 2 2 337.537 1.809 20 0 EDADLP COCc1cnc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000685457150 487278203 /nfs/dbraw/zinc/27/82/03/487278203.db2.gz GXQUUJJBUYULHK-OAHLLOKOSA-N 2 2 338.521 1.890 20 0 EDADLP COCc1cnc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000685457150 487278206 /nfs/dbraw/zinc/27/82/06/487278206.db2.gz GXQUUJJBUYULHK-OAHLLOKOSA-N 2 2 338.521 1.890 20 0 EDADLP O=C(NC1CC1)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000678279039 487280793 /nfs/dbraw/zinc/28/07/93/487280793.db2.gz GJFAQTZDYZHOIV-KRWDZBQOSA-N 2 2 343.471 1.733 20 0 EDADLP O=C(NC1CC1)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000678279039 487280796 /nfs/dbraw/zinc/28/07/96/487280796.db2.gz GJFAQTZDYZHOIV-KRWDZBQOSA-N 2 2 343.471 1.733 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@H+](CCO)C(C)(C)C3)[nH+]c12 ZINC000682012234 487283622 /nfs/dbraw/zinc/28/36/22/487283622.db2.gz NOCACOJUGVIXAA-UHFFFAOYSA-N 2 2 330.432 1.100 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)[nH+]c12 ZINC000682012234 487283625 /nfs/dbraw/zinc/28/36/25/487283625.db2.gz NOCACOJUGVIXAA-UHFFFAOYSA-N 2 2 330.432 1.100 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H](Oc3cc[nH+]cc3)C1)C2 ZINC000685839406 487331384 /nfs/dbraw/zinc/33/13/84/487331384.db2.gz XDWACIDBLRKFSZ-WMLDXEAASA-N 2 2 326.400 1.829 20 0 EDADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000678714403 487355843 /nfs/dbraw/zinc/35/58/43/487355843.db2.gz RKNOEOBRIGQSHI-UHFFFAOYSA-N 2 2 335.448 1.213 20 0 EDADLP CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1[nH]cc[nH+]1 ZINC000675037303 487374766 /nfs/dbraw/zinc/37/47/66/487374766.db2.gz PMHVVJIPCUHYQD-UHFFFAOYSA-N 2 2 327.432 1.186 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675584277 487425331 /nfs/dbraw/zinc/42/53/31/487425331.db2.gz CRVSXDBIDGBASB-UHFFFAOYSA-N 2 2 336.399 1.761 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1sccc1Br ZINC000675781817 487443553 /nfs/dbraw/zinc/44/35/53/487443553.db2.gz CEKNUHZQXCBWFH-JTQLQIEISA-N 2 2 346.294 1.935 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000675855348 487452737 /nfs/dbraw/zinc/45/27/37/487452737.db2.gz YLOKUNRJLWBIMG-CKEIUWERSA-N 2 2 328.460 1.437 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000675855348 487452740 /nfs/dbraw/zinc/45/27/40/487452740.db2.gz YLOKUNRJLWBIMG-CKEIUWERSA-N 2 2 328.460 1.437 20 0 EDADLP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000683147856 487455130 /nfs/dbraw/zinc/45/51/30/487455130.db2.gz NKSGYUPPLXVOIE-ZFWWWQNUSA-N 2 2 343.537 1.794 20 0 EDADLP C[C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)C[N@H+]1C1CC1 ZINC000683147856 487455131 /nfs/dbraw/zinc/45/51/31/487455131.db2.gz NKSGYUPPLXVOIE-ZFWWWQNUSA-N 2 2 343.537 1.794 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)COC2 ZINC000675886284 487456645 /nfs/dbraw/zinc/45/66/45/487456645.db2.gz QIBRCGIYFBQVFR-OXQOHEQNSA-N 2 2 345.487 1.774 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000668992981 485530433 /nfs/dbraw/zinc/53/04/33/485530433.db2.gz RVOUOMDQTMNOEK-RRFJBIMHSA-N 2 2 327.432 1.564 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674871767 485689599 /nfs/dbraw/zinc/68/95/99/485689599.db2.gz DESWPDFMPBTFSG-HNNXBMFYSA-N 2 2 337.489 1.747 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1(C)C ZINC000669610315 485718556 /nfs/dbraw/zinc/71/85/56/485718556.db2.gz YUJCDZPAVZPGTM-MRXNPFEDSA-N 2 2 348.495 1.256 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1(C)C ZINC000669610315 485718563 /nfs/dbraw/zinc/71/85/63/485718563.db2.gz YUJCDZPAVZPGTM-MRXNPFEDSA-N 2 2 348.495 1.256 20 0 EDADLP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCO1 ZINC000669165012 485760052 /nfs/dbraw/zinc/76/00/52/485760052.db2.gz DUAISKQUBXSHSI-GOEBONIOSA-N 2 2 347.463 1.330 20 0 EDADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000672146813 485855958 /nfs/dbraw/zinc/85/59/58/485855958.db2.gz CDNLMBGWWUGENZ-SJORKVTESA-N 2 2 339.443 1.621 20 0 EDADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000672146813 485855964 /nfs/dbraw/zinc/85/59/64/485855964.db2.gz CDNLMBGWWUGENZ-SJORKVTESA-N 2 2 339.443 1.621 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@H+](CC)[C@H](C)C1)[NH+]1CCOCC1 ZINC000677173286 485909818 /nfs/dbraw/zinc/90/98/18/485909818.db2.gz LCLMMNLDZZRQQQ-NVXWUHKLSA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@@H+](CC)[C@H](C)C1)[NH+]1CCOCC1 ZINC000677173286 485909825 /nfs/dbraw/zinc/90/98/25/485909825.db2.gz LCLMMNLDZZRQQQ-NVXWUHKLSA-N 2 2 325.497 1.676 20 0 EDADLP COCC(COC)[NH+]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000668708251 486072724 /nfs/dbraw/zinc/07/27/24/486072724.db2.gz ABHZAJXVZMONQJ-UHFFFAOYSA-N 2 2 347.419 1.145 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000669413124 486117993 /nfs/dbraw/zinc/11/79/93/486117993.db2.gz XULWPLHZLHWPMI-MLGOLLRUSA-N 2 2 347.394 1.269 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000669509211 486293116 /nfs/dbraw/zinc/29/31/16/486293116.db2.gz IGUTZCGSJVLYSB-YOEHRIQHSA-N 2 2 342.447 1.218 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(-n2cccn2)cc1 ZINC000669509211 486293122 /nfs/dbraw/zinc/29/31/22/486293122.db2.gz IGUTZCGSJVLYSB-YOEHRIQHSA-N 2 2 342.447 1.218 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)[nH+]c12 ZINC000669512031 486294846 /nfs/dbraw/zinc/29/48/46/486294846.db2.gz SLBNOTHZVAXGMH-CABCVRRESA-N 2 2 327.432 1.721 20 0 EDADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000672153273 486557512 /nfs/dbraw/zinc/55/75/12/486557512.db2.gz VJDMKIYTSGYNSF-DOTOQJQBSA-N 2 2 325.416 1.374 20 0 EDADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000672153273 486557515 /nfs/dbraw/zinc/55/75/15/486557515.db2.gz VJDMKIYTSGYNSF-DOTOQJQBSA-N 2 2 325.416 1.374 20 0 EDADLP Cc1ncc([C@H](C)[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)s1 ZINC000631223965 491014312 /nfs/dbraw/zinc/01/43/12/491014312.db2.gz JDKUTWPWJHJDSC-LBPRGKRZSA-N 2 2 332.477 1.844 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000189814324 528435434 /nfs/dbraw/zinc/43/54/34/528435434.db2.gz ZYCOGQJGZKLBBJ-UHFFFAOYSA-N 2 2 344.419 1.006 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000245472926 534981163 /nfs/dbraw/zinc/98/11/63/534981163.db2.gz PMUZFHDQKSOCBN-OKZBNKHCSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000263781235 535153237 /nfs/dbraw/zinc/15/32/37/535153237.db2.gz YXAXPPJQJAYMTC-UHFFFAOYSA-N 2 2 347.459 1.836 20 0 EDADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000263781235 535153240 /nfs/dbraw/zinc/15/32/40/535153240.db2.gz YXAXPPJQJAYMTC-UHFFFAOYSA-N 2 2 347.459 1.836 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000264284987 535214636 /nfs/dbraw/zinc/21/46/36/535214636.db2.gz JNZSRIQXDUIFAU-HKUYNNGSSA-N 2 2 332.492 1.869 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000264284987 535214638 /nfs/dbraw/zinc/21/46/38/535214638.db2.gz JNZSRIQXDUIFAU-HKUYNNGSSA-N 2 2 332.492 1.869 20 0 EDADLP CCOCC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000339371316 535438808 /nfs/dbraw/zinc/43/88/08/535438808.db2.gz MMWJMDSYNBWPSC-UHFFFAOYSA-N 2 2 339.505 1.797 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195025283 535708296 /nfs/dbraw/zinc/70/82/96/535708296.db2.gz UGSNGWIKLWNUKF-WMZOPIPTSA-N 2 2 342.491 1.757 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000086171558 535759173 /nfs/dbraw/zinc/75/91/73/535759173.db2.gz OFJYLWKYQDNKGB-QGZVFWFLSA-N 2 2 333.432 1.178 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000086171558 535759179 /nfs/dbraw/zinc/75/91/79/535759179.db2.gz OFJYLWKYQDNKGB-QGZVFWFLSA-N 2 2 333.432 1.178 20 0 EDADLP CN(C(=O)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000346832700 535990121 /nfs/dbraw/zinc/99/01/21/535990121.db2.gz MEMVUXGPPUZLRA-KRWDZBQOSA-N 2 2 336.524 1.395 20 0 EDADLP CN(C(=O)C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000346832700 535990126 /nfs/dbraw/zinc/99/01/26/535990126.db2.gz MEMVUXGPPUZLRA-KRWDZBQOSA-N 2 2 336.524 1.395 20 0 EDADLP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000346430193 535999425 /nfs/dbraw/zinc/99/94/25/535999425.db2.gz INSIBZAJASGNIL-CYBMUJFWSA-N 2 2 341.415 1.629 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000264280427 536053421 /nfs/dbraw/zinc/05/34/21/536053421.db2.gz GVVUBQLFVKCKIV-UHFFFAOYSA-N 2 2 330.436 1.224 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000264280427 536053424 /nfs/dbraw/zinc/05/34/24/536053424.db2.gz GVVUBQLFVKCKIV-UHFFFAOYSA-N 2 2 330.436 1.224 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC([NH3+])C1 ZINC000333622688 536054141 /nfs/dbraw/zinc/05/41/41/536054141.db2.gz RUXWCKWLIXQDQF-UQZDFYISSA-N 2 2 338.402 1.841 20 0 EDADLP CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC([NH3+])C1 ZINC000333622688 536054147 /nfs/dbraw/zinc/05/41/47/536054147.db2.gz RUXWCKWLIXQDQF-UQZDFYISSA-N 2 2 338.402 1.841 20 0 EDADLP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352758577 536059125 /nfs/dbraw/zinc/05/91/25/536059125.db2.gz ZPIIWDUQRFDUFD-INIZCTEOSA-N 2 2 346.500 1.994 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261604113 536473116 /nfs/dbraw/zinc/47/31/16/536473116.db2.gz ATIUSMFDDAWJOH-QGZVFWFLSA-N 2 2 341.402 1.917 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261604113 536473120 /nfs/dbraw/zinc/47/31/20/536473120.db2.gz ATIUSMFDDAWJOH-QGZVFWFLSA-N 2 2 341.402 1.917 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCCCNC3=O)CC2)cc1 ZINC000743481552 579481335 /nfs/dbraw/zinc/48/13/35/579481335.db2.gz PUAZMMZHFOCNKH-GOSISDBHSA-N 2 2 330.476 1.980 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000726254590 578338278 /nfs/dbraw/zinc/33/82/78/578338278.db2.gz HAKOMAXOCKSIJM-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000726254590 578338279 /nfs/dbraw/zinc/33/82/79/578338279.db2.gz HAKOMAXOCKSIJM-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000726254590 578338281 /nfs/dbraw/zinc/33/82/81/578338281.db2.gz HAKOMAXOCKSIJM-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000726254590 578338283 /nfs/dbraw/zinc/33/82/83/578338283.db2.gz HAKOMAXOCKSIJM-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000726254451 578338362 /nfs/dbraw/zinc/33/83/62/578338362.db2.gz HRKZAUUZLDKOOT-FUHWJXTLSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCO1 ZINC000726254451 578338363 /nfs/dbraw/zinc/33/83/63/578338363.db2.gz HRKZAUUZLDKOOT-FUHWJXTLSA-N 2 2 348.491 1.179 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000726254647 578338551 /nfs/dbraw/zinc/33/85/51/578338551.db2.gz HOJOIAKQXIVWFQ-HIFRSBDPSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000726254647 578338552 /nfs/dbraw/zinc/33/85/52/578338552.db2.gz HOJOIAKQXIVWFQ-HIFRSBDPSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+](C)Cc2ccccc2)CCO1 ZINC000726255974 578339063 /nfs/dbraw/zinc/33/90/63/578339063.db2.gz MFZZFSUDUWDVPW-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+](C)Cc2ccccc2)CCO1 ZINC000726255974 578339064 /nfs/dbraw/zinc/33/90/64/578339064.db2.gz MFZZFSUDUWDVPW-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000726255974 578339065 /nfs/dbraw/zinc/33/90/65/578339065.db2.gz MFZZFSUDUWDVPW-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)NCCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000726255974 578339066 /nfs/dbraw/zinc/33/90/66/578339066.db2.gz MFZZFSUDUWDVPW-QGZVFWFLSA-N 2 2 348.491 1.528 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000726256139 578339100 /nfs/dbraw/zinc/33/91/00/578339100.db2.gz CXTGCVFIXJGCDT-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000726256139 578339101 /nfs/dbraw/zinc/33/91/01/578339101.db2.gz CXTGCVFIXJGCDT-HNNXBMFYSA-N 2 2 326.485 1.127 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000728944447 578554792 /nfs/dbraw/zinc/55/47/92/578554792.db2.gz YVPMUDWBNMCESE-UHFFFAOYSA-N 2 2 342.447 1.751 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729500061 578578385 /nfs/dbraw/zinc/57/83/85/578578385.db2.gz RPXRXBOSNUWYHV-MSOLQXFVSA-N 2 2 344.459 1.165 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729500061 578578387 /nfs/dbraw/zinc/57/83/87/578578387.db2.gz RPXRXBOSNUWYHV-MSOLQXFVSA-N 2 2 344.459 1.165 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000729617796 578584785 /nfs/dbraw/zinc/58/47/85/578584785.db2.gz HCBUMIICCQAAAM-QLFBSQMISA-N 2 2 333.436 1.162 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000729617796 578584786 /nfs/dbraw/zinc/58/47/86/578584786.db2.gz HCBUMIICCQAAAM-QLFBSQMISA-N 2 2 333.436 1.162 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)CCO4)C2)CC1 ZINC000732780344 578727971 /nfs/dbraw/zinc/72/79/71/578727971.db2.gz JPYNQUFDNRJGEO-INIZCTEOSA-N 2 2 329.444 1.520 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)CCO4)C2)CC1 ZINC000732780344 578727972 /nfs/dbraw/zinc/72/79/72/578727972.db2.gz JPYNQUFDNRJGEO-INIZCTEOSA-N 2 2 329.444 1.520 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000734143442 578798810 /nfs/dbraw/zinc/79/88/10/578798810.db2.gz JPULLZNXKGHSOU-MRXNPFEDSA-N 2 2 332.448 1.009 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](c4cccs4)C3=O)C2)CC1 ZINC000761307675 580054672 /nfs/dbraw/zinc/05/46/72/580054672.db2.gz ZPUZEOSIWBSJLV-UKRRQHHQSA-N 2 2 348.472 1.510 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](c4cccs4)C3=O)C2)CC1 ZINC000761307675 580054673 /nfs/dbraw/zinc/05/46/73/580054673.db2.gz ZPUZEOSIWBSJLV-UKRRQHHQSA-N 2 2 348.472 1.510 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000745790685 579562725 /nfs/dbraw/zinc/56/27/25/579562725.db2.gz CETFUCJMOMLPEY-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000745790685 579562726 /nfs/dbraw/zinc/56/27/26/579562726.db2.gz CETFUCJMOMLPEY-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000745790685 579562727 /nfs/dbraw/zinc/56/27/27/579562727.db2.gz CETFUCJMOMLPEY-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000745790685 579562728 /nfs/dbraw/zinc/56/27/28/579562728.db2.gz CETFUCJMOMLPEY-HOTGVXAUSA-N 2 2 326.485 1.080 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCSC(C)(C)C)CC1 ZINC000748971616 579708928 /nfs/dbraw/zinc/70/89/28/579708928.db2.gz TXCDCXVHHOMKGK-UHFFFAOYSA-N 2 2 330.542 1.843 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(N(C)CC(F)F)CC2)CC1 ZINC000749845549 579742091 /nfs/dbraw/zinc/74/20/91/579742091.db2.gz GKVSWEMGMHFVDR-CQSZACIVSA-N 2 2 346.466 1.200 20 0 EDADLP C[N@H+](CCN1CCOC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750185260 579755113 /nfs/dbraw/zinc/75/51/13/579755113.db2.gz KGINPNICPGBKDU-UHFFFAOYSA-N 2 2 332.448 1.473 20 0 EDADLP C[N@@H+](CCN1CCOC1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750185260 579755114 /nfs/dbraw/zinc/75/51/14/579755114.db2.gz KGINPNICPGBKDU-UHFFFAOYSA-N 2 2 332.448 1.473 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(N(C)C)[nH+]1 ZINC000750215210 579755998 /nfs/dbraw/zinc/75/59/98/579755998.db2.gz NAHBUGZPELMETL-HIFRSBDPSA-N 2 2 345.447 1.138 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(N(C)C)[nH+]1 ZINC000750215210 579755999 /nfs/dbraw/zinc/75/59/99/579755999.db2.gz NAHBUGZPELMETL-HIFRSBDPSA-N 2 2 345.447 1.138 20 0 EDADLP C[C@@H](C(=O)N(CCc1ccccc1)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000755072944 579919333 /nfs/dbraw/zinc/91/93/33/579919333.db2.gz DQTBNZIRHQUTLP-SFHVURJKSA-N 2 2 346.519 1.255 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1nc2n(c1=O)CCCC2 ZINC000762078226 580066469 /nfs/dbraw/zinc/06/64/69/580066469.db2.gz WUVJRGGXGMTKKM-UHFFFAOYSA-N 2 2 332.452 1.510 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1nc2n(c1=O)CCCC2 ZINC000762078226 580066470 /nfs/dbraw/zinc/06/64/70/580066470.db2.gz WUVJRGGXGMTKKM-UHFFFAOYSA-N 2 2 332.452 1.510 20 0 EDADLP CC(C)n1ncc2cc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)c(Cl)nc21 ZINC000762557360 580077497 /nfs/dbraw/zinc/07/74/97/580077497.db2.gz YTBYHPCYCJUGGJ-MRXNPFEDSA-N 2 2 337.855 1.822 20 0 EDADLP CC(C)n1ncc2cc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)c(Cl)nc21 ZINC000762557360 580077498 /nfs/dbraw/zinc/07/74/98/580077498.db2.gz YTBYHPCYCJUGGJ-MRXNPFEDSA-N 2 2 337.855 1.822 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@H](C3CC3)CC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763329945 580097847 /nfs/dbraw/zinc/09/78/47/580097847.db2.gz ALYWUXHVJOWVRH-NXHRZFHOSA-N 2 2 334.508 1.160 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@H](C3CC3)CC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763329945 580097848 /nfs/dbraw/zinc/09/78/48/580097848.db2.gz ALYWUXHVJOWVRH-NXHRZFHOSA-N 2 2 334.508 1.160 20 0 EDADLP C[C@@H]1C[N@H+](CN2CC3(CCCC3)CC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763333431 580097983 /nfs/dbraw/zinc/09/79/83/580097983.db2.gz IDBRRMRFOBOJSZ-QZTJIDSGSA-N 2 2 348.535 1.694 20 0 EDADLP C[C@@H]1C[N@@H+](CN2CC3(CCCC3)CC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763333431 580097984 /nfs/dbraw/zinc/09/79/84/580097984.db2.gz IDBRRMRFOBOJSZ-QZTJIDSGSA-N 2 2 348.535 1.694 20 0 EDADLP C[C@H](COc1ccccc1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000765442305 580142557 /nfs/dbraw/zinc/14/25/57/580142557.db2.gz ZDGSWPVYRIRXNY-GOSISDBHSA-N 2 2 347.503 1.840 20 0 EDADLP C[C@H](COc1ccccc1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000765442305 580142558 /nfs/dbraw/zinc/14/25/58/580142558.db2.gz ZDGSWPVYRIRXNY-GOSISDBHSA-N 2 2 347.503 1.840 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000770523253 580263497 /nfs/dbraw/zinc/26/34/97/580263497.db2.gz NEKXGALSPYUWDS-AWEZNQCLSA-N 2 2 345.451 1.590 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCC=CO3)CC2)CC1 ZINC000780363397 580519988 /nfs/dbraw/zinc/51/99/88/580519988.db2.gz PZNNAAJLXOIWEF-KRWDZBQOSA-N 2 2 336.480 1.537 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000783985252 580610246 /nfs/dbraw/zinc/61/02/46/580610246.db2.gz UEDQQOXEUJBDKN-CVEARBPZSA-N 2 2 331.464 1.254 20 0 EDADLP COC(=O)CCC1CC[NH+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783988611 580610411 /nfs/dbraw/zinc/61/04/11/580610411.db2.gz IJECDEWUVOLZNO-OAHLLOKOSA-N 2 2 348.447 1.359 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCOC[C@H](C3CCC3)C2)C1 ZINC000793741951 580854319 /nfs/dbraw/zinc/85/43/19/580854319.db2.gz FBNGAKRDLBFPCF-HZPDHXFCSA-N 2 2 332.448 1.442 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCOC[C@H](C3CCC3)C2)C1 ZINC000793741951 580854320 /nfs/dbraw/zinc/85/43/20/580854320.db2.gz FBNGAKRDLBFPCF-HZPDHXFCSA-N 2 2 332.448 1.442 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000794432596 580892376 /nfs/dbraw/zinc/89/23/76/580892376.db2.gz TVIUYVGGUVTQGU-AWEZNQCLSA-N 2 2 338.452 1.865 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000798378516 580995801 /nfs/dbraw/zinc/99/58/01/580995801.db2.gz ICJMWAQGUUONMV-MRXNPFEDSA-N 2 2 347.532 1.871 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000798378516 580995802 /nfs/dbraw/zinc/99/58/02/580995802.db2.gz ICJMWAQGUUONMV-MRXNPFEDSA-N 2 2 347.532 1.871 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c(N(C)C)[nH+]1 ZINC000799267528 581023309 /nfs/dbraw/zinc/02/33/09/581023309.db2.gz LPSQQFZROCOJKR-UHFFFAOYSA-N 2 2 347.463 1.339 20 0 EDADLP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000891928038 590692513 /nfs/dbraw/zinc/69/25/13/590692513.db2.gz QPVZTKFYYBUZFQ-HOTGVXAUSA-N 2 2 341.415 1.693 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891940899 590697320 /nfs/dbraw/zinc/69/73/20/590697320.db2.gz TWMZVXKUJVZVEU-CJNGLKHVSA-N 2 2 327.432 1.978 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000806666126 590773314 /nfs/dbraw/zinc/77/33/14/590773314.db2.gz TWXAEMLXEPHZSB-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000806666126 590773317 /nfs/dbraw/zinc/77/33/17/590773317.db2.gz TWXAEMLXEPHZSB-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892091212 590795103 /nfs/dbraw/zinc/79/51/03/590795103.db2.gz DEJNKLIHPDIUHQ-HIFRSBDPSA-N 2 2 349.504 1.432 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000892148327 590822368 /nfs/dbraw/zinc/82/23/68/590822368.db2.gz XRXUSTJBVKBASA-IRXDYDNUSA-N 2 2 334.464 1.232 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000892148327 590822372 /nfs/dbraw/zinc/82/23/72/590822372.db2.gz XRXUSTJBVKBASA-IRXDYDNUSA-N 2 2 334.464 1.232 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000892406803 591014264 /nfs/dbraw/zinc/01/42/64/591014264.db2.gz PTBSIROPVQSPLB-WMZOPIPTSA-N 2 2 348.491 1.309 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c[nH+]1 ZINC000891347771 591052959 /nfs/dbraw/zinc/05/29/59/591052959.db2.gz LZCAXIWUFWLNQJ-HNNXBMFYSA-N 2 2 347.463 1.106 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891349464 591054442 /nfs/dbraw/zinc/05/44/42/591054442.db2.gz XAHWGRCPFVPLCY-GOSISDBHSA-N 2 2 331.464 1.823 20 0 EDADLP CC[C@@](C)(O)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892515053 591055460 /nfs/dbraw/zinc/05/54/60/591055460.db2.gz BJVQCHBMVZJIIA-QGZVFWFLSA-N 2 2 329.485 1.726 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000891473761 591083348 /nfs/dbraw/zinc/08/33/48/591083348.db2.gz YQORIQWKRYNVLV-GOSISDBHSA-N 2 2 338.496 1.272 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000891473761 591083352 /nfs/dbraw/zinc/08/33/52/591083352.db2.gz YQORIQWKRYNVLV-GOSISDBHSA-N 2 2 338.496 1.272 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(c3cc[nH+]cc3CO)CC2)c1 ZINC000891482867 591088122 /nfs/dbraw/zinc/08/81/22/591088122.db2.gz ZKFMRHRTYNNKJH-UHFFFAOYSA-N 2 2 343.427 1.913 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)C2)c1 ZINC000892607786 591092331 /nfs/dbraw/zinc/09/23/31/591092331.db2.gz BBYJBRFRNQXCMN-JQHSSLGASA-N 2 2 346.475 1.327 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3CC[C@H]([NH3+])[C@@H]3C)C2)c1 ZINC000892607786 591092334 /nfs/dbraw/zinc/09/23/34/591092334.db2.gz BBYJBRFRNQXCMN-JQHSSLGASA-N 2 2 346.475 1.327 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000893865581 591120105 /nfs/dbraw/zinc/12/01/05/591120105.db2.gz GQHSBLFCOCELBE-IRXDYDNUSA-N 2 2 338.496 1.269 20 0 EDADLP Oc1cc(Br)cnc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000892669631 591120449 /nfs/dbraw/zinc/12/04/49/591120449.db2.gz ICXGHCUVPUNMEU-LLVKDONJSA-N 2 2 330.226 1.096 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000891605464 591146913 /nfs/dbraw/zinc/14/69/13/591146913.db2.gz FAGJJGKPEBYSKM-HZPDHXFCSA-N 3 2 337.512 1.068 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000892759068 591164964 /nfs/dbraw/zinc/16/49/64/591164964.db2.gz TUJBGBXOZALVDU-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000892759068 591164966 /nfs/dbraw/zinc/16/49/66/591164966.db2.gz TUJBGBXOZALVDU-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc3oc(=O)oc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894075577 591187234 /nfs/dbraw/zinc/18/72/34/591187234.db2.gz FTAQKVNYTYFGFA-ZBFHGGJFSA-N 2 2 345.443 1.844 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc3oc(=O)oc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894075577 591187237 /nfs/dbraw/zinc/18/72/37/591187237.db2.gz FTAQKVNYTYFGFA-ZBFHGGJFSA-N 2 2 345.443 1.844 20 0 EDADLP COCCC1(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]CC1 ZINC000891707566 591194261 /nfs/dbraw/zinc/19/42/61/591194261.db2.gz CLXJFVRHWOCMFP-HNNXBMFYSA-N 2 2 347.463 1.118 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000894133891 591204501 /nfs/dbraw/zinc/20/45/01/591204501.db2.gz FRHIQFVUJXHYPV-CGTJXYLNSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000894133891 591204503 /nfs/dbraw/zinc/20/45/03/591204503.db2.gz FRHIQFVUJXHYPV-CGTJXYLNSA-N 2 2 336.501 1.921 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@]2(C)C1 ZINC000891741924 591206204 /nfs/dbraw/zinc/20/62/04/591206204.db2.gz UZJFVLWHDIHCDZ-APWZRJJASA-N 2 2 343.475 1.775 20 0 EDADLP C[N@H+]1C[C@@H]2CN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C[C@]2(C)C1 ZINC000891741924 591206206 /nfs/dbraw/zinc/20/62/06/591206206.db2.gz UZJFVLWHDIHCDZ-APWZRJJASA-N 2 2 343.475 1.775 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000894161936 591212265 /nfs/dbraw/zinc/21/22/65/591212265.db2.gz MMDAVWZYGVOOCD-UHFFFAOYSA-N 2 2 347.463 1.800 20 0 EDADLP CNC(=O)C[NH+]1CCC(Nc2cc(Br)cc(C)[nH+]2)CC1 ZINC000891767175 591217544 /nfs/dbraw/zinc/21/75/44/591217544.db2.gz BYJMMGWRHYKBLG-UHFFFAOYSA-N 2 2 341.253 1.775 20 0 EDADLP Cc1ccnc(N)c1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000894210890 591231776 /nfs/dbraw/zinc/23/17/76/591231776.db2.gz KXTQCUKQJCFJGI-UHFFFAOYSA-N 3 2 340.475 1.669 20 0 EDADLP Clc1csc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000895685109 591252656 /nfs/dbraw/zinc/25/26/56/591252656.db2.gz JVFKPQKEIQHUAE-CYBMUJFWSA-N 2 2 344.912 1.683 20 0 EDADLP CN(Cc1cnn(C)c1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000894459890 591318359 /nfs/dbraw/zinc/31/83/59/591318359.db2.gz RFNQTOQDOLFSEN-GOSISDBHSA-N 2 2 331.508 1.898 20 0 EDADLP CN(Cc1cnn(C)c1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000894459890 591318361 /nfs/dbraw/zinc/31/83/61/591318361.db2.gz RFNQTOQDOLFSEN-GOSISDBHSA-N 2 2 331.508 1.898 20 0 EDADLP Cc1cc[nH+]c(N)c1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000894470961 591321168 /nfs/dbraw/zinc/32/11/68/591321168.db2.gz PEYFIJRXARTQGS-UHFFFAOYSA-N 2 2 331.395 1.633 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC000896138731 591360033 /nfs/dbraw/zinc/36/00/33/591360033.db2.gz UNJMIFWJBUNJMX-CJNGLKHVSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000896138731 591360036 /nfs/dbraw/zinc/36/00/36/591360036.db2.gz UNJMIFWJBUNJMX-CJNGLKHVSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000896138731 591360041 /nfs/dbraw/zinc/36/00/41/591360041.db2.gz UNJMIFWJBUNJMX-CJNGLKHVSA-N 2 2 335.452 1.017 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000898492175 591377688 /nfs/dbraw/zinc/37/76/88/591377688.db2.gz SJIYGHPRFFCZKD-NCOADZHNSA-N 2 2 343.487 1.670 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000898492175 591377689 /nfs/dbraw/zinc/37/76/89/591377689.db2.gz SJIYGHPRFFCZKD-NCOADZHNSA-N 2 2 343.487 1.670 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC000896210394 591387858 /nfs/dbraw/zinc/38/78/58/591387858.db2.gz MHWFFRGEOCETPM-CZUORRHYSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC000896210394 591387863 /nfs/dbraw/zinc/38/78/63/591387863.db2.gz MHWFFRGEOCETPM-CZUORRHYSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000896210394 591387869 /nfs/dbraw/zinc/38/78/69/591387869.db2.gz MHWFFRGEOCETPM-CZUORRHYSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000896210394 591387873 /nfs/dbraw/zinc/38/78/73/591387873.db2.gz MHWFFRGEOCETPM-CZUORRHYSA-N 2 2 335.452 1.017 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc2oc(=O)oc2c1 ZINC000894765541 591414495 /nfs/dbraw/zinc/41/44/95/591414495.db2.gz JLKYXSVKCZROFW-UHFFFAOYSA-N 2 2 333.432 1.844 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc2oc(=O)oc2c1 ZINC000894765541 591414498 /nfs/dbraw/zinc/41/44/98/591414498.db2.gz JLKYXSVKCZROFW-UHFFFAOYSA-N 2 2 333.432 1.844 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCC4(CCC4)O3)C2)CC1 ZINC000896324340 591418560 /nfs/dbraw/zinc/41/85/60/591418560.db2.gz ATCGBYCUTMLZSN-NVXWUHKLSA-N 2 2 335.492 1.763 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3CCC4(CCC4)O3)C2)CC1 ZINC000896324340 591418565 /nfs/dbraw/zinc/41/85/65/591418565.db2.gz ATCGBYCUTMLZSN-NVXWUHKLSA-N 2 2 335.492 1.763 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000897438036 591451415 /nfs/dbraw/zinc/45/14/15/591451415.db2.gz SFGHRLWSJKKYDP-SJORKVTESA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000897438036 591451419 /nfs/dbraw/zinc/45/14/19/591451419.db2.gz SFGHRLWSJKKYDP-SJORKVTESA-N 2 2 338.496 1.225 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000897466156 591467428 /nfs/dbraw/zinc/46/74/28/591467428.db2.gz PCPFTFXRJFFWSE-KGLIPLIRSA-N 2 2 337.468 1.121 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000897466156 591467430 /nfs/dbraw/zinc/46/74/30/591467430.db2.gz PCPFTFXRJFFWSE-KGLIPLIRSA-N 2 2 337.468 1.121 20 0 EDADLP CCn1nncc1C[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898721266 591484812 /nfs/dbraw/zinc/48/48/12/591484812.db2.gz RTJIZBZTTPYHAG-VIFPVBQESA-N 2 2 325.214 1.362 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC000897493750 591497377 /nfs/dbraw/zinc/49/73/77/591497377.db2.gz IAIRZCQEEQTPIF-CZUORRHYSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897493750 591497379 /nfs/dbraw/zinc/49/73/79/591497379.db2.gz IAIRZCQEEQTPIF-CZUORRHYSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000897493750 591497381 /nfs/dbraw/zinc/49/73/81/591497381.db2.gz IAIRZCQEEQTPIF-CZUORRHYSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC[N@@H+]1CC(C)(C)O ZINC000897500474 591503820 /nfs/dbraw/zinc/50/38/20/591503820.db2.gz WRMBRZZOMMWWIB-CZUORRHYSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC[N@H+]1CC(C)(C)O ZINC000897500474 591503823 /nfs/dbraw/zinc/50/38/23/591503823.db2.gz WRMBRZZOMMWWIB-CZUORRHYSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC[NH+]1CC(C)(C)O ZINC000897500474 591503825 /nfs/dbraw/zinc/50/38/25/591503825.db2.gz WRMBRZZOMMWWIB-CZUORRHYSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC[NH+]1CC(C)(C)O ZINC000897500474 591503828 /nfs/dbraw/zinc/50/38/28/591503828.db2.gz WRMBRZZOMMWWIB-CZUORRHYSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000897515513 591515554 /nfs/dbraw/zinc/51/55/54/591515554.db2.gz SZVBOBLOQRODBH-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000897515513 591515559 /nfs/dbraw/zinc/51/55/59/591515559.db2.gz SZVBOBLOQRODBH-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C12CCC2 ZINC000898833798 591546341 /nfs/dbraw/zinc/54/63/41/591546341.db2.gz YPIBZKQFMKXONB-GVDBMIGSSA-N 2 2 335.492 1.619 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C12CCC2 ZINC000898833798 591546342 /nfs/dbraw/zinc/54/63/42/591546342.db2.gz YPIBZKQFMKXONB-GVDBMIGSSA-N 2 2 335.492 1.619 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000898882999 591577025 /nfs/dbraw/zinc/57/70/25/591577025.db2.gz FPRMWLMPMFNECT-DLBZAZTESA-N 2 2 342.443 1.482 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000898882999 591577028 /nfs/dbraw/zinc/57/70/28/591577028.db2.gz FPRMWLMPMFNECT-DLBZAZTESA-N 2 2 342.443 1.482 20 0 EDADLP CCc1cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)nc(CC)[nH+]1 ZINC000895135382 591610735 /nfs/dbraw/zinc/61/07/35/591610735.db2.gz LFPPWTUILMPVNZ-UHFFFAOYSA-N 2 2 345.491 1.912 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000899027457 591641717 /nfs/dbraw/zinc/64/17/17/591641717.db2.gz YAEGUYMIULXAFC-XHSDSOJGSA-N 2 2 344.459 1.236 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000899027457 591641720 /nfs/dbraw/zinc/64/17/20/591641720.db2.gz YAEGUYMIULXAFC-XHSDSOJGSA-N 2 2 344.459 1.236 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC/C=C/Cl)CC2)CC1 ZINC000899038643 591650538 /nfs/dbraw/zinc/65/05/38/591650538.db2.gz QHLFAKLLNVFBJZ-XVNBXDOJSA-N 2 2 328.888 1.941 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC/C=C/Cl)CC2)CC1 ZINC000899038643 591650539 /nfs/dbraw/zinc/65/05/39/591650539.db2.gz QHLFAKLLNVFBJZ-XVNBXDOJSA-N 2 2 328.888 1.941 20 0 EDADLP Cc1[nH+]cc(CN2CCN(C)CC[N@@H+](C)CC2)n1-c1ccccc1 ZINC000897857539 591680183 /nfs/dbraw/zinc/68/01/83/591680183.db2.gz ZTKCHNPPGFCJLW-UHFFFAOYSA-N 2 2 327.476 1.860 20 0 EDADLP Cc1[nH+]cc(CN2CCN(C)CC[N@H+](C)CC2)n1-c1ccccc1 ZINC000897857539 591680187 /nfs/dbraw/zinc/68/01/87/591680187.db2.gz ZTKCHNPPGFCJLW-UHFFFAOYSA-N 2 2 327.476 1.860 20 0 EDADLP CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000896981885 591699532 /nfs/dbraw/zinc/69/95/32/591699532.db2.gz CBTBJYLQBIUMTN-QRVBRYPASA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000896981885 591699537 /nfs/dbraw/zinc/69/95/37/591699537.db2.gz CBTBJYLQBIUMTN-QRVBRYPASA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000896981885 591699540 /nfs/dbraw/zinc/69/95/40/591699540.db2.gz CBTBJYLQBIUMTN-QRVBRYPASA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](NC(=O)[C@H]1CCC[NH+]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000896981885 591699544 /nfs/dbraw/zinc/69/95/44/591699544.db2.gz CBTBJYLQBIUMTN-QRVBRYPASA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](CC[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000895429248 591753548 /nfs/dbraw/zinc/75/35/48/591753548.db2.gz LTTANAYZQCDXCO-HNNXBMFYSA-N 3 2 342.528 1.905 20 0 EDADLP Cn1nnnc1CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000898037895 591765329 /nfs/dbraw/zinc/76/53/29/591765329.db2.gz YLIYKAMLMBKBEM-INIZCTEOSA-N 2 2 328.464 1.785 20 0 EDADLP Cn1nnnc1CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000898037895 591765331 /nfs/dbraw/zinc/76/53/31/591765331.db2.gz YLIYKAMLMBKBEM-INIZCTEOSA-N 2 2 328.464 1.785 20 0 EDADLP OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1nc2ccccc2n2c[nH+]cc12 ZINC000897219949 591774175 /nfs/dbraw/zinc/77/41/75/591774175.db2.gz QNSJYHQEGGRQFD-SJORKVTESA-N 2 2 337.427 1.918 20 0 EDADLP OCC[N@H+]1CCC[C@H]2[C@H]1CCN2c1nc2ccccc2n2c[nH+]cc12 ZINC000897219949 591774176 /nfs/dbraw/zinc/77/41/76/591774176.db2.gz QNSJYHQEGGRQFD-SJORKVTESA-N 2 2 337.427 1.918 20 0 EDADLP Cc1cc(C(=O)NC2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)c(C)o1 ZINC000727584906 591793641 /nfs/dbraw/zinc/79/36/41/591793641.db2.gz AGVLCHQIEMQCOD-QGZVFWFLSA-N 2 2 349.475 1.547 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000899958846 591844397 /nfs/dbraw/zinc/84/43/97/591844397.db2.gz YVAIGXSUGRICEX-RKVPGOIHSA-N 2 2 335.448 1.378 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000899958846 591844399 /nfs/dbraw/zinc/84/43/99/591844399.db2.gz YVAIGXSUGRICEX-RKVPGOIHSA-N 2 2 335.448 1.378 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000899990440 591859907 /nfs/dbraw/zinc/85/99/07/591859907.db2.gz KMZVVKSILDWOEO-UHFFFAOYSA-N 2 2 340.431 1.533 20 0 EDADLP CON1CC[C@@H](O[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000902224509 591948415 /nfs/dbraw/zinc/94/84/15/591948415.db2.gz JRRQOIMTKOJQIK-MRXNPFEDSA-N 2 2 346.431 1.681 20 0 EDADLP O[C@@H](C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1(O)CCOCC1 ZINC000899860784 591963370 /nfs/dbraw/zinc/96/33/70/591963370.db2.gz UAKXQDJLAZNLKY-MSOLQXFVSA-N 2 2 334.460 1.316 20 0 EDADLP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)[C@H](C)OCC(C)C)CC1 ZINC000902273861 591966783 /nfs/dbraw/zinc/96/67/83/591966783.db2.gz OOBAPTRCIINFDN-ZDUSSCGKSA-N 2 2 328.457 1.146 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[NH2+]CC[NH2+]CC1 ZINC000900368572 591998726 /nfs/dbraw/zinc/99/87/26/591998726.db2.gz HBDGSURVJPVCDC-UHFFFAOYSA-N 3 2 342.443 1.719 20 0 EDADLP CCOC(=O)c1cnc2ccc(C)cc2c1N1CC[NH2+]CC[NH2+]CC1 ZINC000900368572 591998727 /nfs/dbraw/zinc/99/87/27/591998727.db2.gz HBDGSURVJPVCDC-UHFFFAOYSA-N 2 2 342.443 1.719 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000900401371 592008600 /nfs/dbraw/zinc/00/86/00/592008600.db2.gz VZRPMLBIXGBJSS-UHFFFAOYSA-N 2 2 338.415 1.560 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CCCN2c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000900410401 592010880 /nfs/dbraw/zinc/01/08/80/592010880.db2.gz DWJSXWIOXCYBGJ-RVKKMQEKSA-N 2 2 331.464 1.393 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Cc3nccs3)C2)C1 ZINC000902649350 592039100 /nfs/dbraw/zinc/03/91/00/592039100.db2.gz JQLOVSCMPGAGQF-UONOGXRCSA-N 2 2 345.472 1.715 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](Cc3nccs3)C2)C1 ZINC000902649350 592039103 /nfs/dbraw/zinc/03/91/03/592039103.db2.gz JQLOVSCMPGAGQF-UONOGXRCSA-N 2 2 345.472 1.715 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H]3CCC4(CCC4)CO3)nn2)CC1 ZINC000900581065 592058185 /nfs/dbraw/zinc/05/81/85/592058185.db2.gz NVAVZXHLXDXHIG-QGZVFWFLSA-N 2 2 333.480 1.811 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000900586919 592060377 /nfs/dbraw/zinc/06/03/77/592060377.db2.gz SNDZBYJJZPQJPL-UHFFFAOYSA-N 2 2 347.507 1.806 20 0 EDADLP CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902854666 592076429 /nfs/dbraw/zinc/07/64/29/592076429.db2.gz JIEBXWKQMUOTML-CQSZACIVSA-N 2 2 336.461 1.851 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)nn1 ZINC000902889764 592079880 /nfs/dbraw/zinc/07/98/80/592079880.db2.gz QHLIBUVPNDYYQK-AWEZNQCLSA-N 2 2 332.452 1.874 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000900681899 592093092 /nfs/dbraw/zinc/09/30/92/592093092.db2.gz BELVJPJYZYYWCU-UHFFFAOYSA-N 3 2 335.496 1.777 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)CCN1CC[NH+](C(C)C)CC1)C2 ZINC000900776502 592121027 /nfs/dbraw/zinc/12/10/27/592121027.db2.gz INKGPRZGHCRHCD-UHFFFAOYSA-N 2 2 333.480 1.258 20 0 EDADLP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[NH+](C4CC4)C[C@@H]3C)C2)[C@H]1C(C)C ZINC000903122009 592124044 /nfs/dbraw/zinc/12/40/44/592124044.db2.gz WFUVWARVVVCJJD-VHLJGOKISA-N 3 2 335.536 1.929 20 0 EDADLP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[NH+](C4CC4)C[C@@H]3C)C2)[C@H]1C(C)C ZINC000903122009 592124045 /nfs/dbraw/zinc/12/40/45/592124045.db2.gz WFUVWARVVVCJJD-VHLJGOKISA-N 3 2 335.536 1.929 20 0 EDADLP CC[NH+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)[C@H]1C(C)C ZINC000903122009 592124047 /nfs/dbraw/zinc/12/40/47/592124047.db2.gz WFUVWARVVVCJJD-VHLJGOKISA-N 3 2 335.536 1.929 20 0 EDADLP CC[NH+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)C2)[C@H]1C(C)C ZINC000903122009 592124049 /nfs/dbraw/zinc/12/40/49/592124049.db2.gz WFUVWARVVVCJJD-VHLJGOKISA-N 3 2 335.536 1.929 20 0 EDADLP COc1nn(C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000903336011 592155447 /nfs/dbraw/zinc/15/54/47/592155447.db2.gz HXMIOLWWEJSRPJ-WMLDXEAASA-N 2 2 329.448 1.824 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000903463829 592172495 /nfs/dbraw/zinc/17/24/95/592172495.db2.gz OYXOKCQBFWSUMI-HLLBOEOZSA-N 2 2 337.489 1.748 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000903463829 592172497 /nfs/dbraw/zinc/17/24/97/592172497.db2.gz OYXOKCQBFWSUMI-HLLBOEOZSA-N 2 2 337.489 1.748 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000903449591 592173567 /nfs/dbraw/zinc/17/35/67/592173567.db2.gz VJPABCGNLPRNLV-BQFCYCMXSA-N 2 2 349.425 1.932 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000903449591 592173569 /nfs/dbraw/zinc/17/35/69/592173569.db2.gz VJPABCGNLPRNLV-BQFCYCMXSA-N 2 2 349.425 1.932 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)NC(=O)NCc1cccs1 ZINC000903485311 592178083 /nfs/dbraw/zinc/17/80/83/592178083.db2.gz LZSXZAQIXOQHEA-ZDUSSCGKSA-N 2 2 336.461 1.338 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000903485230 592178105 /nfs/dbraw/zinc/17/81/05/592178105.db2.gz KTHCCWIMRDPDIX-QGZVFWFLSA-N 2 2 331.460 1.918 20 0 EDADLP CC(C)(C)CC[C@H]([NH3+])CN1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000904333687 592232687 /nfs/dbraw/zinc/23/26/87/592232687.db2.gz DKZFDUKCHFTDCZ-HNNXBMFYSA-N 2 2 334.512 1.714 20 0 EDADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000904333687 592232692 /nfs/dbraw/zinc/23/26/92/592232692.db2.gz DKZFDUKCHFTDCZ-HNNXBMFYSA-N 3 2 334.512 1.714 20 0 EDADLP C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C[C@H]1n1cc[nH+]c1 ZINC000906657913 592240168 /nfs/dbraw/zinc/24/01/68/592240168.db2.gz SXQGGVWGDASUEJ-XJKSGUPXSA-N 2 2 341.415 1.390 20 0 EDADLP Nc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)nn1 ZINC000904363239 592241044 /nfs/dbraw/zinc/24/10/44/592241044.db2.gz ZFAIENOVDZXANX-UHFFFAOYSA-N 2 2 343.431 1.060 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906676259 592256938 /nfs/dbraw/zinc/25/69/38/592256938.db2.gz LDKABLXWEVMXQZ-INIZCTEOSA-N 2 2 336.480 1.280 20 0 EDADLP CCOC(=O)c1ccc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)o1 ZINC000904451968 592264586 /nfs/dbraw/zinc/26/45/86/592264586.db2.gz FLWHYHLOELEODY-HNNXBMFYSA-N 2 2 345.399 1.882 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3cn(C)nc3-c3cccnc3)C[C@H]2[NH3+])c1 ZINC000904493323 592266895 /nfs/dbraw/zinc/26/68/95/592266895.db2.gz ACBVAHDEYFNEPR-HZPDHXFCSA-N 2 2 337.431 1.142 20 0 EDADLP Cc1ccc(C(=O)N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)s1 ZINC000903723682 592283557 /nfs/dbraw/zinc/28/35/57/592283557.db2.gz XZJSMRBRFQEVNO-QAPCUYQASA-N 2 2 349.500 1.583 20 0 EDADLP C[N@@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903737213 592298974 /nfs/dbraw/zinc/29/89/74/592298974.db2.gz QZZHHHUJDNFVAC-GXTWGEPZSA-N 2 2 332.370 1.646 20 0 EDADLP C[N@H+](Cc1nccn1CC(F)(F)F)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903737213 592298976 /nfs/dbraw/zinc/29/89/76/592298976.db2.gz QZZHHHUJDNFVAC-GXTWGEPZSA-N 2 2 332.370 1.646 20 0 EDADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000901278436 592311631 /nfs/dbraw/zinc/31/16/31/592311631.db2.gz BJHVMXJDOTZBIT-KRWDZBQOSA-N 2 2 328.416 1.914 20 0 EDADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000901278436 592311633 /nfs/dbraw/zinc/31/16/33/592311633.db2.gz BJHVMXJDOTZBIT-KRWDZBQOSA-N 2 2 328.416 1.914 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1CCCC[NH2+]C1 ZINC000903776310 592318180 /nfs/dbraw/zinc/31/81/80/592318180.db2.gz SBCLZHHMXVNILL-CQSZACIVSA-N 2 2 333.432 1.718 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1CCCC[NH2+]C1 ZINC000903776310 592318186 /nfs/dbraw/zinc/31/81/86/592318186.db2.gz SBCLZHHMXVNILL-CQSZACIVSA-N 2 2 333.432 1.718 20 0 EDADLP FC(F)C(F)(F)COCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818262 592341591 /nfs/dbraw/zinc/34/15/91/592341591.db2.gz DKHHNJCNDKVNOE-UHFFFAOYSA-N 2 2 328.350 1.748 20 0 EDADLP FC(F)C(F)(F)COCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818262 592341596 /nfs/dbraw/zinc/34/15/96/592341596.db2.gz DKHHNJCNDKVNOE-UHFFFAOYSA-N 2 2 328.350 1.748 20 0 EDADLP [NH3+][C@@H](C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)CC(F)F ZINC000903925546 592379714 /nfs/dbraw/zinc/37/97/14/592379714.db2.gz GPXZSNRUDPCYBD-HUUCEWRRSA-N 2 2 341.402 1.029 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C2=O)cc1 ZINC000903924874 592379755 /nfs/dbraw/zinc/37/97/55/592379755.db2.gz JBEIQSLGEBNIOU-JSGCOSHPSA-N 2 2 327.375 1.368 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1(O)CCOCC1 ZINC000905117381 592415264 /nfs/dbraw/zinc/41/52/64/592415264.db2.gz PIVJBNWCEMQAQY-MSOLQXFVSA-N 2 2 334.460 1.143 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1(O)CCOCC1 ZINC000905117381 592415265 /nfs/dbraw/zinc/41/52/65/592415265.db2.gz PIVJBNWCEMQAQY-MSOLQXFVSA-N 2 2 334.460 1.143 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905158915 592425271 /nfs/dbraw/zinc/42/52/71/592425271.db2.gz LRKPGZUHDATJJC-VVFCZOMOSA-N 2 2 329.444 1.980 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905158915 592425276 /nfs/dbraw/zinc/42/52/76/592425276.db2.gz LRKPGZUHDATJJC-VVFCZOMOSA-N 2 2 329.444 1.980 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)[C@@H](C)C1 ZINC000904174043 592450741 /nfs/dbraw/zinc/45/07/41/592450741.db2.gz JDKPFTLNHCNLON-AWEZNQCLSA-N 2 2 333.432 1.716 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)[C@@H](C)C1 ZINC000904174043 592450744 /nfs/dbraw/zinc/45/07/44/592450744.db2.gz JDKPFTLNHCNLON-AWEZNQCLSA-N 2 2 333.432 1.716 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000908350053 592456489 /nfs/dbraw/zinc/45/64/89/592456489.db2.gz UXSDONLFPWMMPF-RDJZCZTQSA-N 2 2 339.443 1.808 20 0 EDADLP C[C@@]1(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)CCC[NH2+]C1 ZINC000904305396 592472761 /nfs/dbraw/zinc/47/27/61/592472761.db2.gz MXKCMYBCJJWBMN-LJQANCHMSA-N 2 2 327.476 1.842 20 0 EDADLP Cc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000905257207 592478995 /nfs/dbraw/zinc/47/89/95/592478995.db2.gz PUVGMZVRKRHWBK-IPQPSQTFSA-N 2 2 345.487 1.702 20 0 EDADLP Cc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000905257207 592478997 /nfs/dbraw/zinc/47/89/97/592478997.db2.gz PUVGMZVRKRHWBK-IPQPSQTFSA-N 2 2 345.487 1.702 20 0 EDADLP CC[C@@](O)(C[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C)C(F)(F)F ZINC000905258275 592479682 /nfs/dbraw/zinc/47/96/82/592479682.db2.gz YYGVRDSGGVNXQJ-ZKYQVNSYSA-N 2 2 348.369 1.233 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000905259896 592480236 /nfs/dbraw/zinc/48/02/36/592480236.db2.gz HROGZZNNATWXCB-NXHRZFHOSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000905259896 592480238 /nfs/dbraw/zinc/48/02/38/592480238.db2.gz HROGZZNNATWXCB-NXHRZFHOSA-N 2 2 334.460 1.141 20 0 EDADLP COc1ccc(Cl)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000905293789 592486631 /nfs/dbraw/zinc/48/66/31/592486631.db2.gz LYOSQMVLYAFPAN-UHFFFAOYSA-N 2 2 326.828 1.893 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000905379960 592519906 /nfs/dbraw/zinc/51/99/06/592519906.db2.gz XOLAMGLQWYYEBD-MRXNPFEDSA-N 2 2 334.464 1.034 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000905379960 592519908 /nfs/dbraw/zinc/51/99/08/592519908.db2.gz XOLAMGLQWYYEBD-MRXNPFEDSA-N 2 2 334.464 1.034 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(F)cc1F ZINC000905618818 592595328 /nfs/dbraw/zinc/59/53/28/592595328.db2.gz JKHHPPXUWCVBRB-RHSMWYFYSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(F)cc1F ZINC000905618818 592595331 /nfs/dbraw/zinc/59/53/31/592595331.db2.gz JKHHPPXUWCVBRB-RHSMWYFYSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(F)cc1F ZINC000905618817 592595560 /nfs/dbraw/zinc/59/55/60/592595560.db2.gz JKHHPPXUWCVBRB-PBHICJAKSA-N 2 2 326.387 1.841 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(F)cc1F ZINC000905618817 592595564 /nfs/dbraw/zinc/59/55/64/592595564.db2.gz JKHHPPXUWCVBRB-PBHICJAKSA-N 2 2 326.387 1.841 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000905656052 592598448 /nfs/dbraw/zinc/59/84/48/592598448.db2.gz CMDGOCMZMYEFSG-HUUCEWRRSA-N 2 2 328.526 1.046 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=S)NC[C@H]1CCC[N@H+]1CC ZINC000905656052 592598452 /nfs/dbraw/zinc/59/84/52/592598452.db2.gz CMDGOCMZMYEFSG-HUUCEWRRSA-N 2 2 328.526 1.046 20 0 EDADLP [NH3+][C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[C@H]1C(F)(F)F ZINC000905711629 592620302 /nfs/dbraw/zinc/62/03/02/592620302.db2.gz KFNMPWCWDPWPJZ-IJLUTSLNSA-N 2 2 345.369 1.011 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2COC(C)(C)C)C1 ZINC000905731475 592631703 /nfs/dbraw/zinc/63/17/03/592631703.db2.gz YFOGZVQVYHGHJF-CABCVRRESA-N 2 2 334.464 1.973 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2COC(C)(C)C)C1 ZINC000905731475 592631705 /nfs/dbraw/zinc/63/17/05/592631705.db2.gz YFOGZVQVYHGHJF-CABCVRRESA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000907432346 592647107 /nfs/dbraw/zinc/64/71/07/592647107.db2.gz OMUNKMUMPWWALA-KRWDZBQOSA-N 2 2 348.491 1.423 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000907432346 592647108 /nfs/dbraw/zinc/64/71/08/592647108.db2.gz OMUNKMUMPWWALA-KRWDZBQOSA-N 2 2 348.491 1.423 20 0 EDADLP c1nc(Cn2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nn2)no1 ZINC000906281944 592773789 /nfs/dbraw/zinc/77/37/89/592773789.db2.gz WYFBRKUNORKDEA-BBRMVZONSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)nn2)no1 ZINC000906281944 592773790 /nfs/dbraw/zinc/77/37/90/592773790.db2.gz WYFBRKUNORKDEA-BBRMVZONSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)nn2)no1 ZINC000906281944 592773791 /nfs/dbraw/zinc/77/37/91/592773791.db2.gz WYFBRKUNORKDEA-BBRMVZONSA-N 2 2 343.435 1.158 20 0 EDADLP c1nc(Cn2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)nn2)no1 ZINC000906281944 592773793 /nfs/dbraw/zinc/77/37/93/592773793.db2.gz WYFBRKUNORKDEA-BBRMVZONSA-N 2 2 343.435 1.158 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000907836186 592810841 /nfs/dbraw/zinc/81/08/41/592810841.db2.gz JJASLFGJNXGIJU-QFBILLFUSA-N 2 2 346.475 1.381 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000907836186 592810842 /nfs/dbraw/zinc/81/08/42/592810842.db2.gz JJASLFGJNXGIJU-QFBILLFUSA-N 2 2 346.475 1.381 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(NCc3[nH+]ccn3C)cc2)C1 ZINC000910473293 592868373 /nfs/dbraw/zinc/86/83/73/592868373.db2.gz BVYQKNBTGZYKTA-MRXNPFEDSA-N 2 2 327.432 1.856 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)c2ccc(NCc3[nH+]ccn3C)cc2)C1 ZINC000910473293 592868374 /nfs/dbraw/zinc/86/83/74/592868374.db2.gz BVYQKNBTGZYKTA-MRXNPFEDSA-N 2 2 327.432 1.856 20 0 EDADLP c1cn(-c2cc(C[NH2+]Cc3cnc(N4CCCC4)nc3)ccn2)c[nH+]1 ZINC000731451253 592925589 /nfs/dbraw/zinc/92/55/89/592925589.db2.gz HOBDTSLIXYBLGA-UHFFFAOYSA-N 2 2 335.415 1.947 20 0 EDADLP C[NH2+]CC1CCN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000911778973 593003330 /nfs/dbraw/zinc/00/33/30/593003330.db2.gz XHUXQTHAQLJXSN-GFCCVEGCSA-N 2 2 332.370 1.914 20 0 EDADLP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911810065 593015209 /nfs/dbraw/zinc/01/52/09/593015209.db2.gz LCDWHALOORLZCU-TVQRCGJNSA-N 2 2 342.237 1.278 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1C[C@H]([NH+]3CCOCC3)C1(C)C)CC2 ZINC000911849388 593025946 /nfs/dbraw/zinc/02/59/46/593025946.db2.gz ZBDQKFJPIOBXTK-PVAVHDDUSA-N 2 2 346.475 1.369 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC000911856327 593027582 /nfs/dbraw/zinc/02/75/82/593027582.db2.gz PHSBZJSWWWIMPR-QGTPRVQTSA-N 2 2 347.459 1.202 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)C[NH2+]CC[NH3+])C1 ZINC000912357421 593088398 /nfs/dbraw/zinc/08/83/98/593088398.db2.gz QIWJGRIIIWXADA-OKILXGFUSA-N 2 2 332.448 1.292 20 0 EDADLP Cc1ccc(C2=NO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2)cc1 ZINC000912388609 593091854 /nfs/dbraw/zinc/09/18/54/593091854.db2.gz YKCGEZBPWOIDBA-GOSISDBHSA-N 2 2 346.475 1.488 20 0 EDADLP Cc1ccc(C2=NO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C2)cc1 ZINC000912388609 593091855 /nfs/dbraw/zinc/09/18/55/593091855.db2.gz YKCGEZBPWOIDBA-GOSISDBHSA-N 2 2 346.475 1.488 20 0 EDADLP CN(C(=O)COCc1ccccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807072090 593141942 /nfs/dbraw/zinc/14/19/42/593141942.db2.gz XGFQLELMGRNUQW-SFHVURJKSA-N 2 2 346.475 1.225 20 0 EDADLP CN(C(=O)COCc1ccccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807072090 593141945 /nfs/dbraw/zinc/14/19/45/593141945.db2.gz XGFQLELMGRNUQW-SFHVURJKSA-N 2 2 346.475 1.225 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCO1 ZINC000838939136 593242167 /nfs/dbraw/zinc/24/21/67/593242167.db2.gz YJOVPWDGXANZKL-QRQLOZEOSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCO1 ZINC000838939136 593242169 /nfs/dbraw/zinc/24/21/69/593242169.db2.gz YJOVPWDGXANZKL-QRQLOZEOSA-N 2 2 345.487 1.865 20 0 EDADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000803730128 593360102 /nfs/dbraw/zinc/36/01/02/593360102.db2.gz ZCGLHDLKUBGSMV-GOSISDBHSA-N 2 2 331.460 1.094 20 0 EDADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000803730128 593360104 /nfs/dbraw/zinc/36/01/04/593360104.db2.gz ZCGLHDLKUBGSMV-GOSISDBHSA-N 2 2 331.460 1.094 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@H]([C@@H]2CCCO2)C12CCC2 ZINC000811749037 593478389 /nfs/dbraw/zinc/47/83/89/593478389.db2.gz QSVIQUSNXAPULG-FGTMMUONSA-N 2 2 347.503 1.922 20 0 EDADLP O=C1N(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@H]([C@@H]2CCCO2)C12CCC2 ZINC000811749037 593478390 /nfs/dbraw/zinc/47/83/90/593478390.db2.gz QSVIQUSNXAPULG-FGTMMUONSA-N 2 2 347.503 1.922 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C3(CCC3)[C@@H]2[C@H]2CCCO2)C1 ZINC000811759396 593479594 /nfs/dbraw/zinc/47/95/94/593479594.db2.gz PWAWMWXWFWQKLP-TVFCKZIOSA-N 2 2 347.503 1.920 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C3(CCC3)[C@@H]2[C@H]2CCCO2)C1 ZINC000811759396 593479595 /nfs/dbraw/zinc/47/95/95/593479595.db2.gz PWAWMWXWFWQKLP-TVFCKZIOSA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)C3(CCC3)[C@@H]2[C@H]2CCCO2)C1 ZINC000811759396 593479596 /nfs/dbraw/zinc/47/95/96/593479596.db2.gz PWAWMWXWFWQKLP-TVFCKZIOSA-N 2 2 347.503 1.920 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)C3(CCC3)[C@@H]2[C@H]2CCCO2)C1 ZINC000811759396 593479597 /nfs/dbraw/zinc/47/95/97/593479597.db2.gz PWAWMWXWFWQKLP-TVFCKZIOSA-N 2 2 347.503 1.920 20 0 EDADLP COC(=O)c1ccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nc1 ZINC000813598286 593542888 /nfs/dbraw/zinc/54/28/88/593542888.db2.gz FCCIZGUMQSLLBM-UHFFFAOYSA-N 2 2 346.475 1.863 20 0 EDADLP OC[C@@]1([C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)CCCO1 ZINC000815290499 593625721 /nfs/dbraw/zinc/62/57/21/593625721.db2.gz JOEHRYZKDCQUKA-ZWKOTPCHSA-N 2 2 328.416 1.677 20 0 EDADLP CS(=O)(=O)CC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000815556652 593642630 /nfs/dbraw/zinc/64/26/30/593642630.db2.gz BASWEGXTWACRRE-UHFFFAOYSA-N 2 2 348.472 1.960 20 0 EDADLP Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cc1 ZINC000819222880 593745261 /nfs/dbraw/zinc/74/52/61/593745261.db2.gz WCNLNZHFRPTTQF-IAGOWNOFSA-N 2 2 342.443 1.543 20 0 EDADLP CCn1nc(C)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000824389045 594000150 /nfs/dbraw/zinc/00/01/50/594000150.db2.gz IFFKLNFILXAGPG-SJPCQFCGSA-N 2 2 332.496 1.349 20 0 EDADLP CCn1nc(C)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000824389045 594000152 /nfs/dbraw/zinc/00/01/52/594000152.db2.gz IFFKLNFILXAGPG-SJPCQFCGSA-N 2 2 332.496 1.349 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@@H](C)C1 ZINC000821377805 594032475 /nfs/dbraw/zinc/03/24/75/594032475.db2.gz DRJLEKQIHPDCEY-DZGCQCFKSA-N 2 2 348.451 1.686 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@@H](C)C1 ZINC000821377805 594032477 /nfs/dbraw/zinc/03/24/77/594032477.db2.gz DRJLEKQIHPDCEY-DZGCQCFKSA-N 2 2 348.451 1.686 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824555209 594037948 /nfs/dbraw/zinc/03/79/48/594037948.db2.gz VQXXSNRCGVISHG-CMPLNLGQSA-N 2 2 327.367 1.868 20 0 EDADLP Cc1cccn2c(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)c[nH+]c12 ZINC000822366313 594038854 /nfs/dbraw/zinc/03/88/54/594038854.db2.gz HTEHKTIUXOIKNP-UHFFFAOYSA-N 2 2 349.398 1.991 20 0 EDADLP O=C(C[NH+]1CCCC1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000822423664 594046681 /nfs/dbraw/zinc/04/66/81/594046681.db2.gz GRXBOXOGBXDIFF-KRWDZBQOSA-N 2 2 333.501 1.816 20 0 EDADLP O=C(C[NH+]1CCCC1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000822423664 594046683 /nfs/dbraw/zinc/04/66/83/594046683.db2.gz GRXBOXOGBXDIFF-KRWDZBQOSA-N 2 2 333.501 1.816 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c2c(ccc1F)OCO2 ZINC000824957157 594105102 /nfs/dbraw/zinc/10/51/02/594105102.db2.gz LHTWJCNDOSGJQG-UHFFFAOYSA-N 2 2 325.384 1.168 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c2c(ccc1F)OCO2 ZINC000824957157 594105103 /nfs/dbraw/zinc/10/51/03/594105103.db2.gz LHTWJCNDOSGJQG-UHFFFAOYSA-N 2 2 325.384 1.168 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000827625580 594246919 /nfs/dbraw/zinc/24/69/19/594246919.db2.gz PDPMNFAIXFSHSJ-MSOLQXFVSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000827625580 594246921 /nfs/dbraw/zinc/24/69/21/594246921.db2.gz PDPMNFAIXFSHSJ-MSOLQXFVSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000827625580 594246922 /nfs/dbraw/zinc/24/69/22/594246922.db2.gz PDPMNFAIXFSHSJ-MSOLQXFVSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000827625580 594246924 /nfs/dbraw/zinc/24/69/24/594246924.db2.gz PDPMNFAIXFSHSJ-MSOLQXFVSA-N 2 2 346.475 1.271 20 0 EDADLP [NH3+]Cc1cccc(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000825803218 594250570 /nfs/dbraw/zinc/25/05/70/594250570.db2.gz QRHXGFSHWJNCEB-LJQANCHMSA-N 2 2 339.439 1.776 20 0 EDADLP [NH3+]Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000825803218 594250571 /nfs/dbraw/zinc/25/05/71/594250571.db2.gz QRHXGFSHWJNCEB-LJQANCHMSA-N 2 2 339.439 1.776 20 0 EDADLP C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H]1CCC[NH+](C)C1 ZINC000826029422 594310562 /nfs/dbraw/zinc/31/05/62/594310562.db2.gz RZPSKUMZUPVDKO-CYBMUJFWSA-N 2 2 340.435 1.288 20 0 EDADLP C[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H]1CCC[NH+](C)C1 ZINC000826029422 594310565 /nfs/dbraw/zinc/31/05/65/594310565.db2.gz RZPSKUMZUPVDKO-CYBMUJFWSA-N 2 2 340.435 1.288 20 0 EDADLP C[NH+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H]1CCC[N@H+](C)C1 ZINC000826029422 594310569 /nfs/dbraw/zinc/31/05/69/594310569.db2.gz RZPSKUMZUPVDKO-CYBMUJFWSA-N 2 2 340.435 1.288 20 0 EDADLP C[NH+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)C[C@@H]1CCC[N@@H+](C)C1 ZINC000826029422 594310571 /nfs/dbraw/zinc/31/05/71/594310571.db2.gz RZPSKUMZUPVDKO-CYBMUJFWSA-N 2 2 340.435 1.288 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000827963418 594311519 /nfs/dbraw/zinc/31/15/19/594311519.db2.gz KRUNZEVZHILFFE-VXGBXAGGSA-N 2 2 342.875 1.601 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000827963418 594311521 /nfs/dbraw/zinc/31/15/21/594311521.db2.gz KRUNZEVZHILFFE-VXGBXAGGSA-N 2 2 342.875 1.601 20 0 EDADLP CN(C)c1cc(CN2C(=O)N[C@]3(CCCC[C@H]3C[NH3+])C2=O)cc[nH+]1 ZINC000830448344 594398122 /nfs/dbraw/zinc/39/81/22/594398122.db2.gz MRHYLLGKARZVSD-GUYCJALGSA-N 2 2 331.420 1.087 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(N(C)CC2CC[NH+](C[C@H](C)O)CC2)[nH+]1 ZINC000826273726 594406624 /nfs/dbraw/zinc/40/66/24/594406624.db2.gz RAXQCSUNKYDUDN-ZDUSSCGKSA-N 2 2 345.451 1.099 20 0 EDADLP Cc1cc[nH+]c(N2CCC(C[NH+]3CCOCC3)CC2)c1-c1nn[nH]n1 ZINC000826309864 594417837 /nfs/dbraw/zinc/41/78/37/594417837.db2.gz DMOLFPJSVIZKMY-UHFFFAOYSA-N 2 2 343.435 1.119 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC000826550257 594522759 /nfs/dbraw/zinc/52/27/59/594522759.db2.gz FACJBJCROIYDHX-GOSISDBHSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC000826550257 594522760 /nfs/dbraw/zinc/52/27/60/594522760.db2.gz FACJBJCROIYDHX-GOSISDBHSA-N 2 2 345.487 1.654 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000826551471 594523405 /nfs/dbraw/zinc/52/34/05/594523405.db2.gz MPKWZVQLDCLZNL-SFHVURJKSA-N 2 2 342.443 1.517 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000826551471 594523406 /nfs/dbraw/zinc/52/34/06/594523406.db2.gz MPKWZVQLDCLZNL-SFHVURJKSA-N 2 2 342.443 1.517 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000826682535 594554626 /nfs/dbraw/zinc/55/46/26/594554626.db2.gz ORWFMWWLIGTZBB-QGZVFWFLSA-N 2 2 331.460 1.648 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000826682535 594554627 /nfs/dbraw/zinc/55/46/27/594554627.db2.gz ORWFMWWLIGTZBB-QGZVFWFLSA-N 2 2 331.460 1.648 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)C[C@@H]21 ZINC000841672625 594933543 /nfs/dbraw/zinc/93/35/43/594933543.db2.gz KYTHDDPLBKUATB-HRCADAONSA-N 2 2 340.431 1.536 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])c1[nH+]ccn1C ZINC000841671273 594933639 /nfs/dbraw/zinc/93/36/39/594933639.db2.gz XXMCPWJBONUGER-HUBLWGQQSA-N 2 2 331.420 1.553 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000836524337 594972036 /nfs/dbraw/zinc/97/20/36/594972036.db2.gz UXSGHWGLIRWEBS-NUEKZKHPSA-N 2 2 329.448 1.986 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000836524337 594972038 /nfs/dbraw/zinc/97/20/38/594972038.db2.gz UXSGHWGLIRWEBS-NUEKZKHPSA-N 2 2 329.448 1.986 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC2CCC(O)(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000841878978 594972346 /nfs/dbraw/zinc/97/23/46/594972346.db2.gz VXIJPWOMGKBKGZ-TVRKMHQQSA-N 2 2 346.475 1.101 20 0 EDADLP C[N@H+]1CCN(C(=O)NC2CCC(O)(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000841878978 594972347 /nfs/dbraw/zinc/97/23/47/594972347.db2.gz VXIJPWOMGKBKGZ-TVRKMHQQSA-N 2 2 346.475 1.101 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000841982805 594995182 /nfs/dbraw/zinc/99/51/82/594995182.db2.gz QNXFGZSJWFSBCR-LBPRGKRZSA-N 2 2 344.381 1.880 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@@H](c3noc(C[C@H]4CCC[NH2+]4)n3)C2)cc1 ZINC000843204842 595033933 /nfs/dbraw/zinc/03/39/33/595033933.db2.gz JNJNTLWKYQYMNL-HZPDHXFCSA-N 2 2 328.416 1.938 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@@H](c3noc(C[C@H]4CCC[NH2+]4)n3)C2)cc1 ZINC000843204842 595033937 /nfs/dbraw/zinc/03/39/37/595033937.db2.gz JNJNTLWKYQYMNL-HZPDHXFCSA-N 2 2 328.416 1.938 20 0 EDADLP O=C([O-])N[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000834178525 595042681 /nfs/dbraw/zinc/04/26/81/595042681.db2.gz YTGCXJXPOVHEJE-IAGOWNOFSA-N 2 2 347.463 1.372 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843381667 595095258 /nfs/dbraw/zinc/09/52/58/595095258.db2.gz FQFFSHFJCBAASD-IBGZPJMESA-N 2 2 346.475 1.682 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000843381667 595095263 /nfs/dbraw/zinc/09/52/63/595095263.db2.gz FQFFSHFJCBAASD-IBGZPJMESA-N 2 2 346.475 1.682 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C ZINC000843426127 595107983 /nfs/dbraw/zinc/10/79/83/595107983.db2.gz OATRCJVUUWYCFL-OKILXGFUSA-N 2 2 326.510 1.746 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C ZINC000843426127 595107986 /nfs/dbraw/zinc/10/79/86/595107986.db2.gz OATRCJVUUWYCFL-OKILXGFUSA-N 2 2 326.510 1.746 20 0 EDADLP [NH3+]CCC1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000846134835 595154020 /nfs/dbraw/zinc/15/40/20/595154020.db2.gz IAWWIBWAJZWXBY-UHFFFAOYSA-N 2 2 328.420 1.538 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000837769698 595191429 /nfs/dbraw/zinc/19/14/29/595191429.db2.gz CXCMJVORHPVZLS-CVEARBPZSA-N 2 2 327.432 1.800 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000844022831 595247028 /nfs/dbraw/zinc/24/70/28/595247028.db2.gz RXQSKAGGENGYAE-OAGGEKHMSA-N 2 2 336.480 1.964 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000844022831 595247030 /nfs/dbraw/zinc/24/70/30/595247030.db2.gz RXQSKAGGENGYAE-OAGGEKHMSA-N 2 2 336.480 1.964 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000843072594 595280773 /nfs/dbraw/zinc/28/07/73/595280773.db2.gz IUHLCVJVLPWSQO-LSDHHAIUSA-N 2 2 332.366 1.784 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000843072594 595280774 /nfs/dbraw/zinc/28/07/74/595280774.db2.gz IUHLCVJVLPWSQO-LSDHHAIUSA-N 2 2 332.366 1.784 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br)C1CC1 ZINC000843093275 595285654 /nfs/dbraw/zinc/28/56/54/595285654.db2.gz GBENFONXHFOYAO-SWLSCSKDSA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Br)C1CC1 ZINC000843093275 595285655 /nfs/dbraw/zinc/28/56/55/595285655.db2.gz GBENFONXHFOYAO-SWLSCSKDSA-N 2 2 343.265 1.527 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000844169840 595289896 /nfs/dbraw/zinc/28/98/96/595289896.db2.gz CCLFDJBNWOFERO-SWLSCSKDSA-N 2 2 330.436 1.528 20 0 EDADLP Clc1ncccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000843118367 595291307 /nfs/dbraw/zinc/29/13/07/595291307.db2.gz GWLQVSZNFKFIGL-UHFFFAOYSA-N 2 2 332.839 1.809 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000846686770 595301684 /nfs/dbraw/zinc/30/16/84/595301684.db2.gz KAXNFOYTPABIAS-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)cn2)c[nH+]1 ZINC000846933895 595339738 /nfs/dbraw/zinc/33/97/38/595339738.db2.gz JBTYYFXKCIVMID-KRWDZBQOSA-N 2 2 327.432 1.564 20 0 EDADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](N4CCOCC4)C3)cn2)c[nH+]1 ZINC000846933895 595339741 /nfs/dbraw/zinc/33/97/41/595339741.db2.gz JBTYYFXKCIVMID-KRWDZBQOSA-N 2 2 327.432 1.564 20 0 EDADLP CON1CC[NH+](Cc2cccc(C[NH+]3CCN(OC)CC3)c2)CC1 ZINC000846975578 595345068 /nfs/dbraw/zinc/34/50/68/595345068.db2.gz GYYSEYMURSOURA-UHFFFAOYSA-N 2 2 334.464 1.045 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C[C@H](C(=O)OC(C)(C)C)CC2=O)C1 ZINC000844698850 595376985 /nfs/dbraw/zinc/37/69/85/595376985.db2.gz QNKJCLFRIPVFBN-ZIAGYGMSSA-N 2 2 348.447 1.357 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C[C@H](C(=O)OC(C)(C)C)CC2=O)C1 ZINC000844698850 595376988 /nfs/dbraw/zinc/37/69/88/595376988.db2.gz QNKJCLFRIPVFBN-ZIAGYGMSSA-N 2 2 348.447 1.357 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cnc(Cl)n2C)C1=O ZINC000848546509 595404139 /nfs/dbraw/zinc/40/41/39/595404139.db2.gz ABZFVDDBMIGLCU-LBPRGKRZSA-N 2 2 336.827 1.088 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000844901478 595410438 /nfs/dbraw/zinc/41/04/38/595410438.db2.gz FSGDSGRDHJAFEJ-KZNAEPCWSA-N 3 2 341.459 1.986 20 0 EDADLP [NH2+]=C(NCC[NH+]1CCN(c2ccccc2)CC1)N1CCSCC1 ZINC000849059057 595476593 /nfs/dbraw/zinc/47/65/93/595476593.db2.gz FGDXDTATYLNIRS-UHFFFAOYSA-N 2 2 333.505 1.382 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000108568599 595520020 /nfs/dbraw/zinc/52/00/20/595520020.db2.gz OZXMSCHCLUTHPU-OAHLLOKOSA-N 2 2 332.448 1.991 20 0 EDADLP Cc1nc(Cl)ccc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849429717 595525038 /nfs/dbraw/zinc/52/50/38/595525038.db2.gz UUTQVADVKMUIHY-UHFFFAOYSA-N 2 2 348.900 1.205 20 0 EDADLP Cc1nc(Cl)ccc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000849429717 595525039 /nfs/dbraw/zinc/52/50/39/595525039.db2.gz UUTQVADVKMUIHY-UHFFFAOYSA-N 2 2 348.900 1.205 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)CCO1 ZINC000852761143 595531664 /nfs/dbraw/zinc/53/16/64/595531664.db2.gz RJLKTQNFDUDWML-QGZVFWFLSA-N 2 2 329.448 1.810 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)CCO1 ZINC000852761143 595531667 /nfs/dbraw/zinc/53/16/67/595531667.db2.gz RJLKTQNFDUDWML-QGZVFWFLSA-N 2 2 329.448 1.810 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000115549522 595598086 /nfs/dbraw/zinc/59/80/86/595598086.db2.gz CFZDONSVDGPFRE-KRWDZBQOSA-N 2 2 328.403 1.777 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000115549522 595598088 /nfs/dbraw/zinc/59/80/88/595598088.db2.gz CFZDONSVDGPFRE-KRWDZBQOSA-N 2 2 328.403 1.777 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852918718 595614991 /nfs/dbraw/zinc/61/49/91/595614991.db2.gz FWNMWBUDOHSOTJ-IBGZPJMESA-N 2 2 342.487 1.229 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852918718 595614993 /nfs/dbraw/zinc/61/49/93/595614993.db2.gz FWNMWBUDOHSOTJ-IBGZPJMESA-N 2 2 342.487 1.229 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000853466131 595759068 /nfs/dbraw/zinc/75/90/68/595759068.db2.gz SUIBTULIINXPJC-INIZCTEOSA-N 3 2 327.517 1.044 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000853466131 595759072 /nfs/dbraw/zinc/75/90/72/595759072.db2.gz SUIBTULIINXPJC-INIZCTEOSA-N 3 2 327.517 1.044 20 0 EDADLP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000858319306 595763064 /nfs/dbraw/zinc/76/30/64/595763064.db2.gz FXHAWGVJGSJIJQ-AWEZNQCLSA-N 2 2 337.439 1.831 20 0 EDADLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000858322692 595764630 /nfs/dbraw/zinc/76/46/30/595764630.db2.gz FXHAWGVJGSJIJQ-CQSZACIVSA-N 2 2 337.439 1.831 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3C[C@@H](O)c4ccccc43)cn2)CC1 ZINC000850372326 595821851 /nfs/dbraw/zinc/82/18/51/595821851.db2.gz SWJVXBBOHWWNLT-QZTJIDSGSA-N 2 2 339.443 1.496 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](Cn2nccc2-c2cccnc2)CCO1 ZINC000853624908 595837323 /nfs/dbraw/zinc/83/73/23/595837323.db2.gz SUDSGEXSVFFPDA-KRWDZBQOSA-N 2 2 329.448 1.945 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cn2nccc2-c2cccnc2)CCO1 ZINC000853624908 595837326 /nfs/dbraw/zinc/83/73/26/595837326.db2.gz SUDSGEXSVFFPDA-KRWDZBQOSA-N 2 2 329.448 1.945 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000852009198 596006123 /nfs/dbraw/zinc/00/61/23/596006123.db2.gz KUVCBCRBRXDXMD-CVEARBPZSA-N 2 2 338.448 1.409 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000852009198 596006126 /nfs/dbraw/zinc/00/61/26/596006126.db2.gz KUVCBCRBRXDXMD-CVEARBPZSA-N 2 2 338.448 1.409 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3nnnn3C)C2)ccn1 ZINC000856584433 596020683 /nfs/dbraw/zinc/02/06/83/596020683.db2.gz JYQMKLJUEANQGF-XJKSGUPXSA-N 2 2 345.451 1.271 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3nnnn3C)C2)ccn1 ZINC000856584433 596020688 /nfs/dbraw/zinc/02/06/88/596020688.db2.gz JYQMKLJUEANQGF-XJKSGUPXSA-N 2 2 345.451 1.271 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3nnnn3C)C2)ccn1 ZINC000856584433 596020690 /nfs/dbraw/zinc/02/06/90/596020690.db2.gz JYQMKLJUEANQGF-XJKSGUPXSA-N 2 2 345.451 1.271 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)c3nnnn3C)C2)ccn1 ZINC000856584433 596020695 /nfs/dbraw/zinc/02/06/95/596020695.db2.gz JYQMKLJUEANQGF-XJKSGUPXSA-N 2 2 345.451 1.271 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NOC1CC[NH+](C)CC1)C(F)(F)F ZINC000854358575 596051764 /nfs/dbraw/zinc/05/17/64/596051764.db2.gz ZAERTOWHGKDLRP-LLVKDONJSA-N 2 2 334.342 1.598 20 0 EDADLP CCc1[nH]nc(Cl)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000859359776 596064560 /nfs/dbraw/zinc/06/45/60/596064560.db2.gz YWLYINSNDJVXRH-UHFFFAOYSA-N 2 2 341.887 1.724 20 0 EDADLP CCc1[nH]nc(Cl)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000859359776 596064563 /nfs/dbraw/zinc/06/45/63/596064563.db2.gz YWLYINSNDJVXRH-UHFFFAOYSA-N 2 2 341.887 1.724 20 0 EDADLP CC[NH2+]CC(=O)N[C@@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000856776377 596080149 /nfs/dbraw/zinc/08/01/49/596080149.db2.gz QUNKJGZIVYFUMD-MRXNPFEDSA-N 2 2 332.404 1.252 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2n1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868632302 596254173 /nfs/dbraw/zinc/25/41/73/596254173.db2.gz YQZIUPLNURTARU-MRXNPFEDSA-N 2 2 346.406 1.339 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868632302 596254174 /nfs/dbraw/zinc/25/41/74/596254174.db2.gz YQZIUPLNURTARU-MRXNPFEDSA-N 2 2 346.406 1.339 20 0 EDADLP CN1CCN(C(=O)NCCCC[N@H+](C)C2CC2)Cc2ccc[nH+]c21 ZINC000868691828 596271590 /nfs/dbraw/zinc/27/15/90/596271590.db2.gz QPWJTLGTNWNCND-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP CN1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)Cc2ccc[nH+]c21 ZINC000868691828 596271595 /nfs/dbraw/zinc/27/15/95/596271595.db2.gz QPWJTLGTNWNCND-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)cn21 ZINC000868742205 596292117 /nfs/dbraw/zinc/29/21/17/596292117.db2.gz VDRMQPLZEOVIEW-WBVHZDCISA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)cn21 ZINC000868742205 596292118 /nfs/dbraw/zinc/29/21/18/596292118.db2.gz VDRMQPLZEOVIEW-WBVHZDCISA-N 2 2 341.459 1.921 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000866697213 596297987 /nfs/dbraw/zinc/29/79/87/596297987.db2.gz JEILZNMWIBABLI-UHFFFAOYSA-N 2 2 339.505 1.522 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000866697213 596297988 /nfs/dbraw/zinc/29/79/88/596297988.db2.gz JEILZNMWIBABLI-UHFFFAOYSA-N 2 2 339.505 1.522 20 0 EDADLP CC1(C)CC[NH2+]CC[N@@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000866698976 596298623 /nfs/dbraw/zinc/29/86/23/596298623.db2.gz HPPRXVCADOUUQZ-UHFFFAOYSA-N 2 2 340.489 1.933 20 0 EDADLP CC1(C)CC[NH2+]CC[N@H+]1CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000866698976 596298625 /nfs/dbraw/zinc/29/86/25/596298625.db2.gz HPPRXVCADOUUQZ-UHFFFAOYSA-N 2 2 340.489 1.933 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[NH2+]CCC2(C)C)cc1OC ZINC000866699750 596298995 /nfs/dbraw/zinc/29/89/95/596298995.db2.gz KURACRYVKYBTRS-UHFFFAOYSA-N 2 2 349.475 1.436 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[NH2+]CCC2(C)C)cc1OC ZINC000866699750 596298996 /nfs/dbraw/zinc/29/89/96/596298996.db2.gz KURACRYVKYBTRS-UHFFFAOYSA-N 2 2 349.475 1.436 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[N@@H+]1C ZINC000123233375 596300093 /nfs/dbraw/zinc/30/00/93/596300093.db2.gz COWZOJWVYVYWBD-QWHCGFSZSA-N 2 2 329.466 1.444 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[N@H+]1C ZINC000123233375 596300097 /nfs/dbraw/zinc/30/00/97/596300097.db2.gz COWZOJWVYVYWBD-QWHCGFSZSA-N 2 2 329.466 1.444 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[NH+]1C ZINC000123233375 596300101 /nfs/dbraw/zinc/30/01/01/596300101.db2.gz COWZOJWVYVYWBD-QWHCGFSZSA-N 2 2 329.466 1.444 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)CC[NH+]1C ZINC000123233375 596300104 /nfs/dbraw/zinc/30/01/04/596300104.db2.gz COWZOJWVYVYWBD-QWHCGFSZSA-N 2 2 329.466 1.444 20 0 EDADLP Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)/C=C/C[NH+]3CCOCC3)C2)c1 ZINC000870909244 596399385 /nfs/dbraw/zinc/39/93/85/596399385.db2.gz BSAXCLJIZUMUDL-MTGFJVSHSA-N 2 2 343.471 1.574 20 0 EDADLP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)/C=C/C[NH+]3CCOCC3)C2)c1 ZINC000870909244 596399389 /nfs/dbraw/zinc/39/93/89/596399389.db2.gz BSAXCLJIZUMUDL-MTGFJVSHSA-N 2 2 343.471 1.574 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000870980479 596427825 /nfs/dbraw/zinc/42/78/25/596427825.db2.gz URLRYXIZEJNIJB-AWEZNQCLSA-N 2 2 335.452 1.322 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000867564032 596433568 /nfs/dbraw/zinc/43/35/68/596433568.db2.gz FKTOIEPOSGHZMS-KRWDZBQOSA-N 2 2 346.475 1.088 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867564032 596433569 /nfs/dbraw/zinc/43/35/69/596433569.db2.gz FKTOIEPOSGHZMS-KRWDZBQOSA-N 2 2 346.475 1.088 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)CC1 ZINC000865123142 596484785 /nfs/dbraw/zinc/48/47/85/596484785.db2.gz GIIFPKRRTLMKOD-CQSZACIVSA-N 2 2 347.450 1.581 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)CC1 ZINC000865123142 596484786 /nfs/dbraw/zinc/48/47/86/596484786.db2.gz GIIFPKRRTLMKOD-CQSZACIVSA-N 2 2 347.450 1.581 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000865656302 596640101 /nfs/dbraw/zinc/64/01/01/596640101.db2.gz UHBPAQMCRSGWHQ-INIZCTEOSA-N 2 2 332.423 1.946 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000865656302 596640102 /nfs/dbraw/zinc/64/01/02/596640102.db2.gz UHBPAQMCRSGWHQ-INIZCTEOSA-N 2 2 332.423 1.946 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC3(C[NH3+])CC3)C2)c1 ZINC000867997450 596647389 /nfs/dbraw/zinc/64/73/89/596647389.db2.gz FPYNMCSISSVQCE-KRWDZBQOSA-N 2 2 331.460 1.441 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CC3(C[NH3+])CC3)C2)c1 ZINC000867997450 596647393 /nfs/dbraw/zinc/64/73/93/596647393.db2.gz FPYNMCSISSVQCE-KRWDZBQOSA-N 2 2 331.460 1.441 20 0 EDADLP CCOC1CC2(C[C@H]2C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000865751063 596670224 /nfs/dbraw/zinc/67/02/24/596670224.db2.gz VAGFJDLVEYPPKL-JGWYNZBZSA-N 2 2 335.492 1.476 20 0 EDADLP CCOC1CC2(C[C@H]2C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000865751063 596670229 /nfs/dbraw/zinc/67/02/29/596670229.db2.gz VAGFJDLVEYPPKL-JGWYNZBZSA-N 2 2 335.492 1.476 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000865751061 596670562 /nfs/dbraw/zinc/67/05/62/596670562.db2.gz VAGFJDLVEYPPKL-HCMQPCSISA-N 2 2 335.492 1.476 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000865751061 596670564 /nfs/dbraw/zinc/67/05/64/596670564.db2.gz VAGFJDLVEYPPKL-HCMQPCSISA-N 2 2 335.492 1.476 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)Nc3cccc4c3CC[NH2+]C4)cc2C1 ZINC000868164056 596707013 /nfs/dbraw/zinc/70/70/13/596707013.db2.gz IBUWXDIRKQWHKF-UHFFFAOYSA-N 2 2 326.404 1.618 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(c2nc(N)[nH+]c(C3CCCC3)n2)CCO1 ZINC000865957079 596737782 /nfs/dbraw/zinc/73/77/82/596737782.db2.gz YOEDDBVSAXAPMI-AWEZNQCLSA-N 2 2 334.468 1.658 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(c2nc(N)nc(C3CCCC3)[nH+]2)CCO1 ZINC000865957079 596737784 /nfs/dbraw/zinc/73/77/84/596737784.db2.gz YOEDDBVSAXAPMI-AWEZNQCLSA-N 2 2 334.468 1.658 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870092603 596746935 /nfs/dbraw/zinc/74/69/35/596746935.db2.gz ISZUDLUXJGGGCL-KRWDZBQOSA-N 2 2 340.427 1.641 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[NH2+]2)cc1 ZINC000870142134 596768915 /nfs/dbraw/zinc/76/89/15/596768915.db2.gz GUZFMWLZVKGXJC-RDJZCZTQSA-N 2 2 340.427 1.627 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(O)ccc1F ZINC000872034892 596798669 /nfs/dbraw/zinc/79/86/69/596798669.db2.gz MDRWVYFSBAVUJV-GJZGRUSLSA-N 2 2 337.439 1.588 20 0 EDADLP C[C@@H](CNC(=O)N1CCN(C)c2[nH+]cccc2C1)[NH+]1CCCCC1 ZINC000868361039 596801510 /nfs/dbraw/zinc/80/15/10/596801510.db2.gz PBQGHFFZLKNKPW-HNNXBMFYSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872150285 596812893 /nfs/dbraw/zinc/81/28/93/596812893.db2.gz VTSPZBZPSJACEQ-FHSNZYRGSA-N 2 2 331.416 1.326 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872150285 596812894 /nfs/dbraw/zinc/81/28/94/596812894.db2.gz VTSPZBZPSJACEQ-FHSNZYRGSA-N 2 2 331.416 1.326 20 0 EDADLP CC(C)(C)[S@@](=O)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872202123 596833922 /nfs/dbraw/zinc/83/39/22/596833922.db2.gz VFWKJDZXUQCWAP-JPYJTQIMSA-N 2 2 338.517 1.760 20 0 EDADLP CC(C)(C)[S@@](=O)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872202123 596833925 /nfs/dbraw/zinc/83/39/25/596833925.db2.gz VFWKJDZXUQCWAP-JPYJTQIMSA-N 2 2 338.517 1.760 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000872218563 596840635 /nfs/dbraw/zinc/84/06/35/596840635.db2.gz PNIOMPPZJXCQPZ-LSDHHAIUSA-N 2 2 326.412 1.000 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000872218563 596840639 /nfs/dbraw/zinc/84/06/39/596840639.db2.gz PNIOMPPZJXCQPZ-LSDHHAIUSA-N 2 2 326.412 1.000 20 0 EDADLP CC(C)[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccn1 ZINC000866268301 596842903 /nfs/dbraw/zinc/84/29/03/596842903.db2.gz RUNSNEIPDAPONG-PKOBYXMFSA-N 2 2 332.492 1.775 20 0 EDADLP CC(C)[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccn1 ZINC000866268298 596842934 /nfs/dbraw/zinc/84/29/34/596842934.db2.gz RUNSNEIPDAPONG-HKUYNNGSSA-N 2 2 332.492 1.775 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000868484252 596856782 /nfs/dbraw/zinc/85/67/82/596856782.db2.gz BDJXLQFHRCPWKD-SRSGJAESSA-N 2 2 345.443 1.080 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000868484252 596856784 /nfs/dbraw/zinc/85/67/84/596856784.db2.gz BDJXLQFHRCPWKD-SRSGJAESSA-N 2 2 345.443 1.080 20 0 EDADLP C[C@@H](NC(=O)N1CCN(C)c2[nH+]cccc2C1)C1=CC[N@H+](C)CC1 ZINC000868489208 596858651 /nfs/dbraw/zinc/85/86/51/596858651.db2.gz SEGNAOVYORHJHR-CQSZACIVSA-N 2 2 329.448 1.693 20 0 EDADLP C[C@@H](NC(=O)N1CCN(C)c2[nH+]cccc2C1)C1=CC[N@@H+](C)CC1 ZINC000868489208 596858656 /nfs/dbraw/zinc/85/86/56/596858656.db2.gz SEGNAOVYORHJHR-CQSZACIVSA-N 2 2 329.448 1.693 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)c1cccc(-n2cnnn2)c1 ZINC000866411092 596879643 /nfs/dbraw/zinc/87/96/43/596879643.db2.gz BXCUTZGKDKDEGH-ZFWWWQNUSA-N 2 2 330.436 1.158 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)c1cccc(-n2cnnn2)c1 ZINC000866411092 596879645 /nfs/dbraw/zinc/87/96/45/596879645.db2.gz BXCUTZGKDKDEGH-ZFWWWQNUSA-N 2 2 330.436 1.158 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411788 596879714 /nfs/dbraw/zinc/87/97/14/596879714.db2.gz WDZOBSQEWLIYBF-BBRMVZONSA-N 2 2 337.439 1.978 20 0 EDADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411788 596879716 /nfs/dbraw/zinc/87/97/16/596879716.db2.gz WDZOBSQEWLIYBF-BBRMVZONSA-N 2 2 337.439 1.978 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866414762 596881004 /nfs/dbraw/zinc/88/10/04/596881004.db2.gz SUFGUCFZXBUJKU-WDSOQIARSA-N 2 2 346.519 1.727 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866414762 596881005 /nfs/dbraw/zinc/88/10/05/596881005.db2.gz SUFGUCFZXBUJKU-WDSOQIARSA-N 2 2 346.519 1.727 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414762 596881007 /nfs/dbraw/zinc/88/10/07/596881007.db2.gz SUFGUCFZXBUJKU-WDSOQIARSA-N 2 2 346.519 1.727 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866414762 596881010 /nfs/dbraw/zinc/88/10/10/596881010.db2.gz SUFGUCFZXBUJKU-WDSOQIARSA-N 2 2 346.519 1.727 20 0 EDADLP C[NH+](C)CCN(Cc1cccs1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000866438871 596887227 /nfs/dbraw/zinc/88/72/27/596887227.db2.gz ODGQBLPBDULUGW-ZZXKWVIFSA-N 2 2 337.489 1.527 20 0 EDADLP Cc1cc(C)c(CNC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c[nH+]1 ZINC000875651074 596933975 /nfs/dbraw/zinc/93/39/75/596933975.db2.gz NUFRWEJWUHXNCC-UHFFFAOYSA-N 2 2 346.475 1.952 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)cc2[nH+]1 ZINC000874174931 596953862 /nfs/dbraw/zinc/95/38/62/596953862.db2.gz RZOJQCJNLDJYSB-HIFRSBDPSA-N 2 2 341.415 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)cc2[nH+]1 ZINC000874174931 596953863 /nfs/dbraw/zinc/95/38/63/596953863.db2.gz RZOJQCJNLDJYSB-HIFRSBDPSA-N 2 2 341.415 1.134 20 0 EDADLP C[C@@H]1C[N@@H+](CN2CCC3(CCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872595280 596981079 /nfs/dbraw/zinc/98/10/79/596981079.db2.gz DIXYENUTVHNULP-SJORKVTESA-N 2 2 334.508 1.304 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](CN3C(=O)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000872731642 597050211 /nfs/dbraw/zinc/05/02/11/597050211.db2.gz DEORLSCXQNELCV-LJQANCHMSA-N 2 2 342.487 1.629 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](CN3C(=O)[C@H]4CCCCC[C@@H]43)CC2)CC1 ZINC000872731392 597050279 /nfs/dbraw/zinc/05/02/79/597050279.db2.gz DDJHPWDZKFIZCJ-ROUUACIJSA-N 2 2 334.508 1.447 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cn3ccc(-c4nccs4)n3)CC2)CC1 ZINC000872732727 597050525 /nfs/dbraw/zinc/05/05/25/597050525.db2.gz ZXYFDDRNQDLLPV-UHFFFAOYSA-N 2 2 346.504 1.676 20 0 EDADLP Cc1csc([C@@H]2CC[N@@H+](CN3C[C@@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000872806250 597078341 /nfs/dbraw/zinc/07/83/41/597078341.db2.gz MOJDFKHETXGUQA-KGLIPLIRSA-N 2 2 345.472 1.948 20 0 EDADLP Cc1csc([C@@H]2CC[N@H+](CN3C[C@@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000872806250 597078342 /nfs/dbraw/zinc/07/83/42/597078342.db2.gz MOJDFKHETXGUQA-KGLIPLIRSA-N 2 2 345.472 1.948 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000874704115 597149034 /nfs/dbraw/zinc/14/90/34/597149034.db2.gz FMCCKCAQKHNKDQ-AWEZNQCLSA-N 2 2 325.478 1.650 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000874704115 597149035 /nfs/dbraw/zinc/14/90/35/597149035.db2.gz FMCCKCAQKHNKDQ-AWEZNQCLSA-N 2 2 325.478 1.650 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000874838665 597192955 /nfs/dbraw/zinc/19/29/55/597192955.db2.gz QSRUVSCBJXMBFS-KZNAEPCWSA-N 2 2 328.460 1.741 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000874838665 597192956 /nfs/dbraw/zinc/19/29/56/597192956.db2.gz QSRUVSCBJXMBFS-KZNAEPCWSA-N 2 2 328.460 1.741 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000874838665 597192958 /nfs/dbraw/zinc/19/29/58/597192958.db2.gz QSRUVSCBJXMBFS-KZNAEPCWSA-N 2 2 328.460 1.741 20 0 EDADLP COc1cc2c(cc1C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)OCO2 ZINC000873228131 597234105 /nfs/dbraw/zinc/23/41/05/597234105.db2.gz PUKDJTBWULBTKG-MNOVXSKESA-N 2 2 332.322 1.993 20 0 EDADLP COc1cc2c(cc1C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)OCO2 ZINC000873228131 597234107 /nfs/dbraw/zinc/23/41/07/597234107.db2.gz PUKDJTBWULBTKG-MNOVXSKESA-N 2 2 332.322 1.993 20 0 EDADLP O=C1NCCN1Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000873263223 597242685 /nfs/dbraw/zinc/24/26/85/597242685.db2.gz URFFWFFLTAFHSM-ZWKOTPCHSA-N 2 2 344.459 1.068 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000875072592 597270535 /nfs/dbraw/zinc/27/05/35/597270535.db2.gz CJBIVWQGWVNSFH-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP COC[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CCCC[NH2+]1 ZINC000876721090 597304772 /nfs/dbraw/zinc/30/47/72/597304772.db2.gz QZEAWOOJDCQWJD-KRWDZBQOSA-N 2 2 329.404 1.673 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccnc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC000875188783 597320316 /nfs/dbraw/zinc/32/03/16/597320316.db2.gz AIMPQADTCULYGY-JKSUJKDBSA-N 2 2 340.431 1.503 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccnc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC000875188783 597320320 /nfs/dbraw/zinc/32/03/20/597320320.db2.gz AIMPQADTCULYGY-JKSUJKDBSA-N 2 2 340.431 1.503 20 0 EDADLP [NH3+]C1(CNC(=O)/C=C\C[NH+]2CCOCC2)C2CC3CC(C2)CC1C3 ZINC000876926110 597386967 /nfs/dbraw/zinc/38/69/67/597386967.db2.gz LHSFVORJXXFFAA-UPHRSURJSA-N 2 2 333.476 1.145 20 0 EDADLP CC(C)OC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCC1 ZINC000875428984 597425319 /nfs/dbraw/zinc/42/53/19/597425319.db2.gz WZOUOTBWXYKAIY-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000877153417 597444557 /nfs/dbraw/zinc/44/45/57/597444557.db2.gz VUWCDBYVWNZSBN-LJQANCHMSA-N 2 2 345.487 1.369 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1C(F)(F)F ZINC000877357881 597500432 /nfs/dbraw/zinc/50/04/32/597500432.db2.gz NEQFLRAPZKZYQB-KWCYVHTRSA-N 2 2 349.397 1.225 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1C(F)(F)F ZINC000877357881 597500435 /nfs/dbraw/zinc/50/04/35/597500435.db2.gz NEQFLRAPZKZYQB-KWCYVHTRSA-N 2 2 349.397 1.225 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C(F)(F)F ZINC000877358278 597500656 /nfs/dbraw/zinc/50/06/56/597500656.db2.gz WFQCOSGFPBEOBN-CMPLNLGQSA-N 2 2 330.354 1.358 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ncccc2C)C1 ZINC000878159484 597582911 /nfs/dbraw/zinc/58/29/11/597582911.db2.gz YEPUJYVAPPDROM-INIZCTEOSA-N 2 2 334.464 1.761 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ncccc2C)C1 ZINC000878159484 597582912 /nfs/dbraw/zinc/58/29/12/597582912.db2.gz YEPUJYVAPPDROM-INIZCTEOSA-N 2 2 334.464 1.761 20 0 EDADLP C([C@@H]1CC2(CO1)CCOCC2)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552157 597632874 /nfs/dbraw/zinc/63/28/74/597632874.db2.gz MKOVQEHYRANAIY-MSOLQXFVSA-N 2 2 338.492 1.759 20 0 EDADLP C([C@@H]1CC2(CO1)CCOCC2)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000878552157 597632877 /nfs/dbraw/zinc/63/28/77/597632877.db2.gz MKOVQEHYRANAIY-MSOLQXFVSA-N 2 2 338.492 1.759 20 0 EDADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000883055809 597634383 /nfs/dbraw/zinc/63/43/83/597634383.db2.gz TYPJZYFWDPAYEE-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP CC[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000883055809 597634385 /nfs/dbraw/zinc/63/43/85/597634385.db2.gz TYPJZYFWDPAYEE-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000883055809 597634388 /nfs/dbraw/zinc/63/43/88/597634388.db2.gz TYPJZYFWDPAYEE-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP CC[NH+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000883055809 597634391 /nfs/dbraw/zinc/63/43/91/597634391.db2.gz TYPJZYFWDPAYEE-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000878589049 597645963 /nfs/dbraw/zinc/64/59/63/597645963.db2.gz CNSBCTMYHLNGFK-LBPRGKRZSA-N 2 2 343.422 1.835 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(F)F)[nH]n1 ZINC000878589049 597645964 /nfs/dbraw/zinc/64/59/64/597645964.db2.gz CNSBCTMYHLNGFK-LBPRGKRZSA-N 2 2 343.422 1.835 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000883159924 597672154 /nfs/dbraw/zinc/67/21/54/597672154.db2.gz AANIVCAUDYYTLI-QGZVFWFLSA-N 2 2 333.476 1.778 20 0 EDADLP Cc1nc(F)ccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372174 597726241 /nfs/dbraw/zinc/72/62/41/597726241.db2.gz OLHIBEZDBZWWCY-QGZVFWFLSA-N 2 2 336.455 1.415 20 0 EDADLP CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000883372110 597726396 /nfs/dbraw/zinc/72/63/96/597726396.db2.gz MNFJHWAPXXYOSQ-GUDVDZBRSA-N 2 2 339.524 1.578 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883394981 597730678 /nfs/dbraw/zinc/73/06/78/597730678.db2.gz KRBUHTSRBHZTFT-LZQZEXGQSA-N 2 2 342.487 1.893 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000883394981 597730680 /nfs/dbraw/zinc/73/06/80/597730680.db2.gz KRBUHTSRBHZTFT-LZQZEXGQSA-N 2 2 342.487 1.893 20 0 EDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000738435933 599274632 /nfs/dbraw/zinc/27/46/32/599274632.db2.gz FTIBSPMZFBCQLC-LBPRGKRZSA-N 2 2 335.415 1.733 20 0 EDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000738435933 599274634 /nfs/dbraw/zinc/27/46/34/599274634.db2.gz FTIBSPMZFBCQLC-LBPRGKRZSA-N 2 2 335.415 1.733 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CCC(=O)OC)C2)CC1 ZINC000880038055 597818995 /nfs/dbraw/zinc/81/89/95/597818995.db2.gz PWUCICPGIOSUBJ-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CCC(=O)OC)C2)CC1 ZINC000880038055 597818997 /nfs/dbraw/zinc/81/89/97/597818997.db2.gz PWUCICPGIOSUBJ-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP C[C@@H]1CC[C@H](CO)[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000880440621 597935966 /nfs/dbraw/zinc/93/59/66/597935966.db2.gz GTNPQXJNIMAYFH-SJLPKXTDSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H]1CC[C@H](CO)[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000880440621 597935968 /nfs/dbraw/zinc/93/59/68/597935968.db2.gz GTNPQXJNIMAYFH-SJLPKXTDSA-N 2 2 331.460 1.176 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882329914 597936375 /nfs/dbraw/zinc/93/63/75/597936375.db2.gz MACQLBLGPGFSAP-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882329914 597936376 /nfs/dbraw/zinc/93/63/76/597936376.db2.gz MACQLBLGPGFSAP-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP CC(C)(CNC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)[NH+]1CCOCC1 ZINC000884177277 598015968 /nfs/dbraw/zinc/01/59/68/598015968.db2.gz FNFOFIHSWWAUGP-INIZCTEOSA-N 2 2 345.443 1.530 20 0 EDADLP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884405299 598095456 /nfs/dbraw/zinc/09/54/56/598095456.db2.gz MJSAMLRDKGSJPI-WBVHZDCISA-N 2 2 343.427 1.236 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C)oc1C ZINC000948057697 695119080 /nfs/dbraw/zinc/11/90/80/695119080.db2.gz XXNIXFFUXDTVJX-CJNGLKHVSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C)oc1C ZINC000948057697 695119081 /nfs/dbraw/zinc/11/90/81/695119081.db2.gz XXNIXFFUXDTVJX-CJNGLKHVSA-N 2 2 334.464 1.856 20 0 EDADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060464426 695249826 /nfs/dbraw/zinc/24/98/26/695249826.db2.gz WRIUTVHNQGXBOP-CQSZACIVSA-N 2 2 349.479 1.037 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031050136 695383512 /nfs/dbraw/zinc/38/35/12/695383512.db2.gz CBFUSQBKELKDDS-DLBZAZTESA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031050136 695383516 /nfs/dbraw/zinc/38/35/16/695383516.db2.gz CBFUSQBKELKDDS-DLBZAZTESA-N 2 2 337.508 1.865 20 0 EDADLP C[NH+]1CCC(CC(=O)NC2C[NH+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC001031050932 695385888 /nfs/dbraw/zinc/38/58/88/695385888.db2.gz CTCGJTWNBPIQHB-LJQANCHMSA-N 2 2 345.487 1.122 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)on1 ZINC000992853685 695409425 /nfs/dbraw/zinc/40/94/25/695409425.db2.gz FSSXLOZKOHBCAK-VNQPRFMTSA-N 2 2 343.431 1.666 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000939855314 699993409 /nfs/dbraw/zinc/99/34/09/699993409.db2.gz DJOHCYDDUFECRP-MLGOLLRUSA-N 2 2 340.387 1.056 20 0 EDADLP Cc1ccc(F)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c1 ZINC000939855634 699993777 /nfs/dbraw/zinc/99/37/77/699993777.db2.gz FGLGFYZTSHNXDW-RHSMWYFYSA-N 2 2 330.407 1.967 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)o1 ZINC000992925032 695456501 /nfs/dbraw/zinc/45/65/01/695456501.db2.gz NUZXUGZCMHHDNS-HRCADAONSA-N 2 2 343.431 1.596 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000915662378 695965395 /nfs/dbraw/zinc/96/53/95/695965395.db2.gz JAOKWEVXKSUKPP-ZBFHGGJFSA-N 2 2 337.468 1.238 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CCN(C(=O)CNc3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000915747592 695981237 /nfs/dbraw/zinc/98/12/37/695981237.db2.gz IOXUOSVSSRBWFG-IYBDPMFKSA-N 2 2 346.475 1.841 20 0 EDADLP C[C@@H]1C[N@H+](CC2CCN(C(=O)CNc3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000915747592 695981239 /nfs/dbraw/zinc/98/12/39/695981239.db2.gz IOXUOSVSSRBWFG-IYBDPMFKSA-N 2 2 346.475 1.841 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC001031260752 696067848 /nfs/dbraw/zinc/06/78/48/696067848.db2.gz VOIJZNSRQTWBFC-MRXNPFEDSA-N 2 2 343.471 1.306 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC001031260752 696067852 /nfs/dbraw/zinc/06/78/52/696067852.db2.gz VOIJZNSRQTWBFC-MRXNPFEDSA-N 2 2 343.471 1.306 20 0 EDADLP CO[C@@H](C[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1)c1ccccc1 ZINC001031259456 696071259 /nfs/dbraw/zinc/07/12/59/696071259.db2.gz BLHDWZUTRZEHTD-QAPCUYQASA-N 2 2 331.460 1.516 20 0 EDADLP CO[C@@H](C[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1 ZINC001031259456 696071262 /nfs/dbraw/zinc/07/12/62/696071262.db2.gz BLHDWZUTRZEHTD-QAPCUYQASA-N 2 2 331.460 1.516 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccn2)[C@H]1C ZINC000993627064 696290651 /nfs/dbraw/zinc/29/06/51/696290651.db2.gz VQKMTCMZXANCQM-DOTOQJQBSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccn2)[C@H]1C ZINC000993627064 696290653 /nfs/dbraw/zinc/29/06/53/696290653.db2.gz VQKMTCMZXANCQM-DOTOQJQBSA-N 2 2 327.432 1.756 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCOC1CCC1 ZINC000994219004 696587656 /nfs/dbraw/zinc/58/76/56/696587656.db2.gz AIKDIGZNNYPRPA-WMLDXEAASA-N 2 2 334.464 1.501 20 0 EDADLP O=S(=O)(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000923597644 696605674 /nfs/dbraw/zinc/60/56/74/696605674.db2.gz QBOCAWDOLRAUFY-CYBMUJFWSA-N 2 2 338.408 1.183 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccns2)[C@@H]1C ZINC000994420919 696842673 /nfs/dbraw/zinc/84/26/73/696842673.db2.gz LPKMXXMNOGKPKF-IUODEOHRSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccns2)[C@@H]1C ZINC000994420919 696842676 /nfs/dbraw/zinc/84/26/76/696842676.db2.gz LPKMXXMNOGKPKF-IUODEOHRSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)o1 ZINC000994422788 696844796 /nfs/dbraw/zinc/84/47/96/696844796.db2.gz NSMALDMMNAFWQR-BBRMVZONSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H]2C)o1 ZINC000994422788 696844800 /nfs/dbraw/zinc/84/48/00/696844800.db2.gz NSMALDMMNAFWQR-BBRMVZONSA-N 2 2 345.447 1.966 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ncn2)[C@@H]1C ZINC000994425259 696847188 /nfs/dbraw/zinc/84/71/88/696847188.db2.gz RRVKUUHGFKXCAZ-RHSMWYFYSA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ncn2)[C@@H]1C ZINC000994425259 696847190 /nfs/dbraw/zinc/84/71/90/696847190.db2.gz RRVKUUHGFKXCAZ-RHSMWYFYSA-N 2 2 342.447 1.459 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCc1ccns1 ZINC000994537725 697076788 /nfs/dbraw/zinc/07/67/88/697076788.db2.gz TXKAILJCJDKEMX-DZGCQCFKSA-N 2 2 333.461 1.551 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCc1ccns1 ZINC000994537725 697076791 /nfs/dbraw/zinc/07/67/91/697076791.db2.gz TXKAILJCJDKEMX-DZGCQCFKSA-N 2 2 333.461 1.551 20 0 EDADLP Fc1ccc(C[NH+]2CCC(N[C@@H]3C[NH2+]CCOC3)CC2)cc1F ZINC000925474582 697369710 /nfs/dbraw/zinc/36/97/10/697369710.db2.gz SBWYPUJMWTYQAJ-OAHLLOKOSA-N 2 2 325.403 1.507 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669071 697464095 /nfs/dbraw/zinc/46/40/95/697464095.db2.gz XABPUJYEZSYFJF-WMZOPIPTSA-N 2 2 346.450 1.643 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669071 697464097 /nfs/dbraw/zinc/46/40/97/697464097.db2.gz XABPUJYEZSYFJF-WMZOPIPTSA-N 2 2 346.450 1.643 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ncc(C)o3)C2)CC[N@@H+]1C ZINC001031684483 697510902 /nfs/dbraw/zinc/51/09/02/697510902.db2.gz PPABRLMXDKANCB-VNQPRFMTSA-N 2 2 334.464 1.822 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ncc(C)o3)C2)CC[N@H+]1C ZINC001031684483 697510904 /nfs/dbraw/zinc/51/09/04/697510904.db2.gz PPABRLMXDKANCB-VNQPRFMTSA-N 2 2 334.464 1.822 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cc(C)ncn3)C2)CC[N@@H+]1C ZINC001031686157 697516579 /nfs/dbraw/zinc/51/65/79/697516579.db2.gz KCSOOGJBGVLOGL-DLBZAZTESA-N 2 2 331.464 1.063 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cc(C)ncn3)C2)CC[N@H+]1C ZINC001031686157 697516580 /nfs/dbraw/zinc/51/65/80/697516580.db2.gz KCSOOGJBGVLOGL-DLBZAZTESA-N 2 2 331.464 1.063 20 0 EDADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730173 698066593 /nfs/dbraw/zinc/06/65/93/698066593.db2.gz GKBVITPSJOMTAW-SFHVURJKSA-N 2 2 345.491 1.375 20 0 EDADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730173 698066597 /nfs/dbraw/zinc/06/65/97/698066597.db2.gz GKBVITPSJOMTAW-SFHVURJKSA-N 2 2 345.491 1.375 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nc(C)c(C)o2)C1 ZINC000995040012 700221353 /nfs/dbraw/zinc/22/13/53/700221353.db2.gz UXPVULHFOOWKDR-CVEARBPZSA-N 2 2 345.447 1.871 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995154231 701556213 /nfs/dbraw/zinc/55/62/13/701556213.db2.gz RPZYUBYATMTQRW-DZGCQCFKSA-N 2 2 330.436 1.069 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031766078 699055474 /nfs/dbraw/zinc/05/54/74/699055474.db2.gz ATISBLOJQWMANL-GJZGRUSLSA-N 2 2 349.504 1.411 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031766078 699055478 /nfs/dbraw/zinc/05/54/78/699055478.db2.gz ATISBLOJQWMANL-GJZGRUSLSA-N 2 2 349.504 1.411 20 0 EDADLP CCCCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044568 699088567 /nfs/dbraw/zinc/08/85/67/699088567.db2.gz MPXMAOXUZXRELF-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)nn1C ZINC000995157820 701565447 /nfs/dbraw/zinc/56/54/47/701565447.db2.gz ZYCZLMFGAVUWMV-ZIAGYGMSSA-N 2 2 330.436 1.069 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1F ZINC001031774117 699125357 /nfs/dbraw/zinc/12/53/57/699125357.db2.gz OLQIGNXGXJKOAL-QGZVFWFLSA-N 2 2 349.450 1.867 20 0 EDADLP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)cc1F ZINC001031774117 699125359 /nfs/dbraw/zinc/12/53/59/699125359.db2.gz OLQIGNXGXJKOAL-QGZVFWFLSA-N 2 2 349.450 1.867 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000939210419 699357711 /nfs/dbraw/zinc/35/77/11/699357711.db2.gz OBMCSUVCUPJARU-RHSMWYFYSA-N 2 2 341.459 1.655 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939210249 699357774 /nfs/dbraw/zinc/35/77/74/699357774.db2.gz MPKZQVLPHNNDQF-ZBEGNZNMSA-N 2 2 329.404 1.454 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000939210258 699357913 /nfs/dbraw/zinc/35/79/13/699357913.db2.gz MSONLWKKLKHZRE-BBRMVZONSA-N 2 2 344.463 1.540 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939213407 699362852 /nfs/dbraw/zinc/36/28/52/699362852.db2.gz DAZPKBBMVBUAML-MEBBXXQBSA-N 2 2 333.461 1.662 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ncccn2)C1 ZINC000939236526 699405625 /nfs/dbraw/zinc/40/56/25/699405625.db2.gz PUDXNIZWGRGXMZ-HUUCEWRRSA-N 2 2 342.447 1.433 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939237998 699407942 /nfs/dbraw/zinc/40/79/42/699407942.db2.gz YEQWOIRNWKEAAW-SWLSCSKDSA-N 2 2 346.435 1.335 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001031807008 699417415 /nfs/dbraw/zinc/41/74/15/699417415.db2.gz XXTXKTDSJRKYQW-QAPCUYQASA-N 2 2 345.491 1.706 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cnccn2)C1 ZINC001031807008 699417417 /nfs/dbraw/zinc/41/74/17/699417417.db2.gz XXTXKTDSJRKYQW-QAPCUYQASA-N 2 2 345.491 1.706 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939256908 699433854 /nfs/dbraw/zinc/43/38/54/699433854.db2.gz GLWQKRDGQJPKCT-DOMZBBRYSA-N 2 2 335.452 1.046 20 0 EDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939410150 699564279 /nfs/dbraw/zinc/56/42/79/699564279.db2.gz YBRNHQRJXMATNB-SUMWQHHRSA-N 2 2 340.427 1.619 20 0 EDADLP Cc1ncsc1CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939412422 699565809 /nfs/dbraw/zinc/56/58/09/699565809.db2.gz GWHYDVCXOLLVNP-AAEUAGOBSA-N 2 2 333.461 1.396 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC000939533511 699671123 /nfs/dbraw/zinc/67/11/23/699671123.db2.gz AHQOCXUCESFORC-WMLDXEAASA-N 2 2 330.476 1.979 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)cs1 ZINC000939533757 699671913 /nfs/dbraw/zinc/67/19/13/699671913.db2.gz FCBIBSZMFOXBEG-LRDDRELGSA-N 2 2 347.488 1.407 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)n1 ZINC000939539283 699680060 /nfs/dbraw/zinc/68/00/60/699680060.db2.gz BGLLAZHPAGXADO-HIFRSBDPSA-N 2 2 344.463 1.540 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)c1 ZINC000939621537 699758178 /nfs/dbraw/zinc/75/81/78/699758178.db2.gz AZFITSIPRILULA-FZKQIMNGSA-N 2 2 342.443 1.906 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)cc1 ZINC000939622861 699760076 /nfs/dbraw/zinc/76/00/76/699760076.db2.gz OQVIMHJTGOBJBR-SCLBCKFNSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)cn1 ZINC000939640856 699770073 /nfs/dbraw/zinc/77/00/73/699770073.db2.gz AACATZYIRBZVHI-DYVFJYSZSA-N 2 2 342.447 1.088 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000939755047 699906137 /nfs/dbraw/zinc/90/61/37/699906137.db2.gz OSLJECSZPSNEDL-MNOVXSKESA-N 2 2 343.378 1.040 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)c(C)o1 ZINC000939755045 699906266 /nfs/dbraw/zinc/90/62/66/699906266.db2.gz OSKHQHZOXAKUKI-ZBEGNZNMSA-N 2 2 331.420 1.433 20 0 EDADLP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1csnn1 ZINC000939810062 699958237 /nfs/dbraw/zinc/95/82/37/699958237.db2.gz KRPSEFWWWZLKCU-UKRRQHHQSA-N 2 2 337.493 1.351 20 0 EDADLP CC1([NH2+]Cc2ccns2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144649 700274251 /nfs/dbraw/zinc/27/42/51/700274251.db2.gz MHNLJRPJQUHABG-UHFFFAOYSA-N 2 2 333.461 1.970 20 0 EDADLP CC1([NH2+]Cc2ccns2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940144649 700274255 /nfs/dbraw/zinc/27/42/55/700274255.db2.gz MHNLJRPJQUHABG-UHFFFAOYSA-N 2 2 333.461 1.970 20 0 EDADLP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000940321192 700497219 /nfs/dbraw/zinc/49/72/19/700497219.db2.gz AFMBMTUUZZRTPU-AWEZNQCLSA-N 2 2 343.431 1.989 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940371050 700553500 /nfs/dbraw/zinc/55/35/00/700553500.db2.gz IKQWUOSKCOJXSI-LSDHHAIUSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940371050 700553503 /nfs/dbraw/zinc/55/35/03/700553503.db2.gz IKQWUOSKCOJXSI-LSDHHAIUSA-N 2 2 334.464 1.596 20 0 EDADLP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031967775 701652923 /nfs/dbraw/zinc/65/29/23/701652923.db2.gz DCWUCKCJDLLZMX-LSDHHAIUSA-N 2 2 332.448 1.447 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nn1C ZINC000940624807 700786443 /nfs/dbraw/zinc/78/64/43/700786443.db2.gz KATKRFBEYXMJMR-IAGOWNOFSA-N 2 2 347.507 1.539 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)nn1C ZINC000940624807 700786445 /nfs/dbraw/zinc/78/64/45/700786445.db2.gz KATKRFBEYXMJMR-IAGOWNOFSA-N 2 2 347.507 1.539 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)nn1C ZINC000940624807 700786446 /nfs/dbraw/zinc/78/64/46/700786446.db2.gz KATKRFBEYXMJMR-IAGOWNOFSA-N 2 2 347.507 1.539 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)nn1C ZINC000940624807 700786448 /nfs/dbraw/zinc/78/64/48/700786448.db2.gz KATKRFBEYXMJMR-IAGOWNOFSA-N 2 2 347.507 1.539 20 0 EDADLP Cc1conc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625188 700786872 /nfs/dbraw/zinc/78/68/72/700786872.db2.gz PPTJIMICFOHQNI-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625188 700786875 /nfs/dbraw/zinc/78/68/75/700786875.db2.gz PPTJIMICFOHQNI-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625188 700786876 /nfs/dbraw/zinc/78/68/76/700786876.db2.gz PPTJIMICFOHQNI-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940625188 700786879 /nfs/dbraw/zinc/78/68/79/700786879.db2.gz PPTJIMICFOHQNI-CVEARBPZSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C)C2 ZINC000940846736 700941670 /nfs/dbraw/zinc/94/16/70/700941670.db2.gz HDSJGWJQBPIKGD-XJKSGUPXSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C)C2 ZINC000940846736 700941671 /nfs/dbraw/zinc/94/16/71/700941671.db2.gz HDSJGWJQBPIKGD-XJKSGUPXSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C)CC2 ZINC000940846736 700941672 /nfs/dbraw/zinc/94/16/72/700941672.db2.gz HDSJGWJQBPIKGD-XJKSGUPXSA-N 2 2 334.464 1.032 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C)CC2 ZINC000940846736 700941673 /nfs/dbraw/zinc/94/16/73/700941673.db2.gz HDSJGWJQBPIKGD-XJKSGUPXSA-N 2 2 334.464 1.032 20 0 EDADLP COc1nscc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995108611 700969498 /nfs/dbraw/zinc/96/94/98/700969498.db2.gz UYCNKXTXOVAVFY-YPMHNXCESA-N 2 2 349.460 1.492 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941025700 701064802 /nfs/dbraw/zinc/06/48/02/701064802.db2.gz FMWRALAGHQXBDO-GDBMZVCRSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccon3)CC2(C)C)C1 ZINC000941025700 701064805 /nfs/dbraw/zinc/06/48/05/701064805.db2.gz FMWRALAGHQXBDO-GDBMZVCRSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941025700 701064806 /nfs/dbraw/zinc/06/48/06/701064806.db2.gz FMWRALAGHQXBDO-GDBMZVCRSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)C1 ZINC000941025700 701064809 /nfs/dbraw/zinc/06/48/09/701064809.db2.gz FMWRALAGHQXBDO-GDBMZVCRSA-N 2 2 334.464 1.733 20 0 EDADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC000941033606 701076132 /nfs/dbraw/zinc/07/61/32/701076132.db2.gz QGVXGCBIZNJFAL-HOCLYGCPSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC000941033606 701076134 /nfs/dbraw/zinc/07/61/34/701076134.db2.gz QGVXGCBIZNJFAL-HOCLYGCPSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC000941033606 701076136 /nfs/dbraw/zinc/07/61/36/701076136.db2.gz QGVXGCBIZNJFAL-HOCLYGCPSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC000941033606 701076138 /nfs/dbraw/zinc/07/61/38/701076138.db2.gz QGVXGCBIZNJFAL-HOCLYGCPSA-N 2 2 334.464 1.876 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)ccn1 ZINC000945807725 701198444 /nfs/dbraw/zinc/19/84/44/701198444.db2.gz LEARVUQQKZKNNY-ZBFHGGJFSA-N 2 2 343.431 1.314 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)ccn1 ZINC000945807725 701198446 /nfs/dbraw/zinc/19/84/46/701198446.db2.gz LEARVUQQKZKNNY-ZBFHGGJFSA-N 2 2 343.431 1.314 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808021 701199098 /nfs/dbraw/zinc/19/90/98/701199098.db2.gz MZMNHKBCONQHJG-XJKSGUPXSA-N 2 2 331.395 1.444 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808021 701199099 /nfs/dbraw/zinc/19/90/99/701199099.db2.gz MZMNHKBCONQHJG-XJKSGUPXSA-N 2 2 331.395 1.444 20 0 EDADLP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cn1 ZINC000945809016 701200478 /nfs/dbraw/zinc/20/04/78/701200478.db2.gz QQWUPFIAHYIZLO-RDJZCZTQSA-N 2 2 344.463 1.169 20 0 EDADLP CCn1cc(CC[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)cn1 ZINC000945809016 701200480 /nfs/dbraw/zinc/20/04/80/701200480.db2.gz QQWUPFIAHYIZLO-RDJZCZTQSA-N 2 2 344.463 1.169 20 0 EDADLP Cc1nc(CC[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cs1 ZINC000945810444 701203209 /nfs/dbraw/zinc/20/32/09/701203209.db2.gz XXEKYTDIOOUHIE-CZUORRHYSA-N 2 2 347.488 1.717 20 0 EDADLP Cc1nc(CC[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cs1 ZINC000945810444 701203212 /nfs/dbraw/zinc/20/32/12/701203212.db2.gz XXEKYTDIOOUHIE-CZUORRHYSA-N 2 2 347.488 1.717 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810932 701204223 /nfs/dbraw/zinc/20/42/23/701204223.db2.gz ZEIUTPRGDABMJO-CZUORRHYSA-N 2 2 331.395 1.444 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945810932 701204226 /nfs/dbraw/zinc/20/42/26/701204226.db2.gz ZEIUTPRGDABMJO-CZUORRHYSA-N 2 2 331.395 1.444 20 0 EDADLP CC1(C)C[N@H+](C[C@@H]2CCCCO2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941130444 701207920 /nfs/dbraw/zinc/20/79/20/701207920.db2.gz RYMMYFNNRKBTAL-GJZGRUSLSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)C[N@@H+](C[C@@H]2CCCCO2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941130444 701207922 /nfs/dbraw/zinc/20/79/22/701207922.db2.gz RYMMYFNNRKBTAL-GJZGRUSLSA-N 2 2 334.464 1.738 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941163324 701228077 /nfs/dbraw/zinc/22/80/77/701228077.db2.gz JNIMNRXBHCHUGZ-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941163324 701228078 /nfs/dbraw/zinc/22/80/78/701228078.db2.gz JNIMNRXBHCHUGZ-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941163324 701228080 /nfs/dbraw/zinc/22/80/80/701228080.db2.gz JNIMNRXBHCHUGZ-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941163324 701228083 /nfs/dbraw/zinc/22/80/83/701228083.db2.gz JNIMNRXBHCHUGZ-HIFRSBDPSA-N 2 2 335.452 1.128 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCCO2)CC1(C)C ZINC000941167504 701378623 /nfs/dbraw/zinc/37/86/23/701378623.db2.gz WFEBLRGMWYMUAJ-IAGOWNOFSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)CC1(C)C ZINC000941167504 701378625 /nfs/dbraw/zinc/37/86/25/701378625.db2.gz WFEBLRGMWYMUAJ-IAGOWNOFSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941220770 701411118 /nfs/dbraw/zinc/41/11/18/701411118.db2.gz HKYIHPOBRBHPOZ-MRXNPFEDSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)n1 ZINC000941220770 701411119 /nfs/dbraw/zinc/41/11/19/701411119.db2.gz HKYIHPOBRBHPOZ-MRXNPFEDSA-N 2 2 333.480 1.233 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cscn3)CC2(C)C)C1 ZINC000941221223 701411922 /nfs/dbraw/zinc/41/19/22/701411922.db2.gz NRFKYTISRUOTDL-ZFWWWQNUSA-N 2 2 336.505 1.812 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cscn3)CC2(C)C)C1 ZINC000941221223 701411924 /nfs/dbraw/zinc/41/19/24/701411924.db2.gz NRFKYTISRUOTDL-ZFWWWQNUSA-N 2 2 336.505 1.812 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cscn3)CC2(C)C)C1 ZINC000941221223 701411926 /nfs/dbraw/zinc/41/19/26/701411926.db2.gz NRFKYTISRUOTDL-ZFWWWQNUSA-N 2 2 336.505 1.812 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cscn3)CC2(C)C)C1 ZINC000941221223 701411928 /nfs/dbraw/zinc/41/19/28/701411928.db2.gz NRFKYTISRUOTDL-ZFWWWQNUSA-N 2 2 336.505 1.812 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)ncn1 ZINC000995151397 701545233 /nfs/dbraw/zinc/54/52/33/701545233.db2.gz HTBDYGSUWJYQHL-ZIAGYGMSSA-N 2 2 328.420 1.125 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccnn2C)C1 ZINC000995179562 701907193 /nfs/dbraw/zinc/90/71/93/701907193.db2.gz BUNHQGJRUFZLKY-UONOGXRCSA-N 2 2 330.436 1.069 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cnns1 ZINC000995747303 701972968 /nfs/dbraw/zinc/97/29/68/701972968.db2.gz ORRSWTDMIBRRIG-GFCCVEGCSA-N 2 2 334.449 1.221 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)c(C)o1 ZINC000995180806 701998131 /nfs/dbraw/zinc/99/81/31/701998131.db2.gz GHHICOBCGGTBEH-LSDHHAIUSA-N 2 2 345.447 1.940 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)CC[N@@H+]1C ZINC000999191326 706634137 /nfs/dbraw/zinc/63/41/37/706634137.db2.gz XLPDVIXGPFNSDG-BPLDGKMQSA-N 2 2 347.463 1.368 20 0 EDADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C4CC4)no3)C2)CC[N@H+]1C ZINC000999191326 706634139 /nfs/dbraw/zinc/63/41/39/706634139.db2.gz XLPDVIXGPFNSDG-BPLDGKMQSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C[C@H]1C ZINC000944445502 702033824 /nfs/dbraw/zinc/03/38/24/702033824.db2.gz PDXPSABAVFMRKG-CZUORRHYSA-N 2 2 344.463 1.063 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCc2cnn(C)c2)C[C@H]1C ZINC000944445502 702033828 /nfs/dbraw/zinc/03/38/28/702033828.db2.gz PDXPSABAVFMRKG-CZUORRHYSA-N 2 2 344.463 1.063 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001032206119 702128340 /nfs/dbraw/zinc/12/83/40/702128340.db2.gz SEQMECAZTMDZQF-QGZVFWFLSA-N 2 2 334.439 1.643 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001032206119 702128341 /nfs/dbraw/zinc/12/83/41/702128341.db2.gz SEQMECAZTMDZQF-QGZVFWFLSA-N 2 2 334.439 1.643 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999202023 706646549 /nfs/dbraw/zinc/64/65/49/706646549.db2.gz UQCMOVAWBHDPCD-UONOGXRCSA-N 2 2 346.435 1.560 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995879078 702185873 /nfs/dbraw/zinc/18/58/73/702185873.db2.gz BJTRBYBJBKUKPX-ZBFHGGJFSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995879078 702185878 /nfs/dbraw/zinc/18/58/78/702185878.db2.gz BJTRBYBJBKUKPX-ZBFHGGJFSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918476 702237676 /nfs/dbraw/zinc/23/76/76/702237676.db2.gz NVGFFESAUVDQGH-DOMZBBRYSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995918476 702237682 /nfs/dbraw/zinc/23/76/82/702237682.db2.gz NVGFFESAUVDQGH-DOMZBBRYSA-N 2 2 349.479 1.750 20 0 EDADLP Cc1cccnc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001031987659 702422130 /nfs/dbraw/zinc/42/21/30/702422130.db2.gz VQHBCGZEVQNVNW-HZPDHXFCSA-N 2 2 339.443 1.475 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2nccc(C)n2)C(C)(C)C1 ZINC000996044064 702436823 /nfs/dbraw/zinc/43/68/23/702436823.db2.gz RHGRXQBQIGSDAH-HNNXBMFYSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+]Cc2ncccn2)C(C)(C)C1 ZINC000996042190 702458417 /nfs/dbraw/zinc/45/84/17/702458417.db2.gz KLQTVGWOHJWBDF-CQSZACIVSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC000996079529 702484667 /nfs/dbraw/zinc/48/46/67/702484667.db2.gz AUZSYTFCEPSEDB-OAHLLOKOSA-N 2 2 345.447 1.676 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnsn2)C1 ZINC000995205005 702620051 /nfs/dbraw/zinc/62/00/51/702620051.db2.gz YUJIQSQNNQVDLS-QWHCGFSZSA-N 2 2 334.449 1.118 20 0 EDADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]Cc2noc(C3CC3)n2)C1 ZINC000995209626 702675756 /nfs/dbraw/zinc/67/57/56/702675756.db2.gz KQTHCWYRLPAVNU-DZGCQCFKSA-N 2 2 347.463 1.417 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cs1 ZINC000996353911 702731951 /nfs/dbraw/zinc/73/19/51/702731951.db2.gz FENZXZGKRXRBQS-HNNXBMFYSA-N 2 2 347.488 1.786 20 0 EDADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996357228 702734328 /nfs/dbraw/zinc/73/43/28/702734328.db2.gz WEEAZQIPNLWYJC-CYBMUJFWSA-N 2 2 349.460 1.444 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996399284 702756161 /nfs/dbraw/zinc/75/61/61/702756161.db2.gz RHAGCIPVQRYGNE-ZBFHGGJFSA-N 2 2 344.463 1.312 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996399284 702756165 /nfs/dbraw/zinc/75/61/65/702756165.db2.gz RHAGCIPVQRYGNE-ZBFHGGJFSA-N 2 2 344.463 1.312 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnns2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942259411 702769154 /nfs/dbraw/zinc/76/91/54/702769154.db2.gz RNXIYFRDGPIITQ-ZFWWWQNUSA-N 2 2 349.504 1.493 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnns2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942259411 702769156 /nfs/dbraw/zinc/76/91/56/702769156.db2.gz RNXIYFRDGPIITQ-ZFWWWQNUSA-N 2 2 349.504 1.493 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942304485 702811983 /nfs/dbraw/zinc/81/19/83/702811983.db2.gz PZSAWBJJDLSIII-MLGOLLRUSA-N 2 2 340.387 1.358 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000942304485 702811985 /nfs/dbraw/zinc/81/19/85/702811985.db2.gz PZSAWBJJDLSIII-MLGOLLRUSA-N 2 2 340.387 1.358 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC000996512582 702832071 /nfs/dbraw/zinc/83/20/71/702832071.db2.gz FARKJIJUWJHICV-CQSZACIVSA-N 2 2 340.418 1.835 20 0 EDADLP CC[C@H]([NH2+]C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1)C(N)=O ZINC000996514179 702832145 /nfs/dbraw/zinc/83/21/45/702832145.db2.gz OZCVLMUEXXJTJV-HNNXBMFYSA-N 2 2 343.431 1.101 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)on1 ZINC000996513805 702833008 /nfs/dbraw/zinc/83/30/08/702833008.db2.gz JZRHKJQELGLSIJ-HNNXBMFYSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)s1 ZINC000996515564 702851383 /nfs/dbraw/zinc/85/13/83/702851383.db2.gz SOJJXTUTASIAKE-HNNXBMFYSA-N 2 2 347.488 1.754 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996568589 702880643 /nfs/dbraw/zinc/88/06/43/702880643.db2.gz IJYNOAYSMSSMDK-INIZCTEOSA-N 2 2 344.463 1.076 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996568774 702880857 /nfs/dbraw/zinc/88/08/57/702880857.db2.gz LRMUGNFGLUGBRL-HNNXBMFYSA-N 2 2 347.488 1.836 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC000996569518 702881459 /nfs/dbraw/zinc/88/14/59/702881459.db2.gz RSNRDGZJFKSQJN-IRXDYDNUSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+][C@H](C)c2csnn2)C(C)(C)C1 ZINC000996611338 702916557 /nfs/dbraw/zinc/91/65/57/702916557.db2.gz MDXSHMRRNAQTLX-BXUZGUMPSA-N 2 2 348.476 1.631 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)n1 ZINC000996611719 702917009 /nfs/dbraw/zinc/91/70/09/702917009.db2.gz OHTPMCISVDWHBI-BXUZGUMPSA-N 2 2 346.435 1.471 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc2c(c1)COC2 ZINC001032312881 702959249 /nfs/dbraw/zinc/95/92/49/702959249.db2.gz AJEOUMBMDYLELS-FHWLQOOXSA-N 2 2 341.455 1.596 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1ccc2c(c1)COC2 ZINC001032312881 702959251 /nfs/dbraw/zinc/95/92/51/702959251.db2.gz AJEOUMBMDYLELS-FHWLQOOXSA-N 2 2 341.455 1.596 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2c(c1)COC2 ZINC001032312881 702959254 /nfs/dbraw/zinc/95/92/54/702959254.db2.gz AJEOUMBMDYLELS-FHWLQOOXSA-N 2 2 341.455 1.596 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2c(c1)COC2 ZINC001032312881 702959256 /nfs/dbraw/zinc/95/92/56/702959256.db2.gz AJEOUMBMDYLELS-FHWLQOOXSA-N 2 2 341.455 1.596 20 0 EDADLP CCc1nocc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995248437 702967369 /nfs/dbraw/zinc/96/73/69/702967369.db2.gz KQZHWPPKPLKQNJ-HIFRSBDPSA-N 2 2 331.420 1.508 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cn1 ZINC000996683775 702981662 /nfs/dbraw/zinc/98/16/62/702981662.db2.gz IJQSPGRXPBSXFN-HZPDHXFCSA-N 2 2 340.431 1.392 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cn1 ZINC000996683775 702981664 /nfs/dbraw/zinc/98/16/64/702981664.db2.gz IJQSPGRXPBSXFN-HZPDHXFCSA-N 2 2 340.431 1.392 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)ncn1 ZINC000996713318 703007773 /nfs/dbraw/zinc/00/77/73/703007773.db2.gz IANISJHKJOHTNW-OAHLLOKOSA-N 2 2 328.420 1.008 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)o1 ZINC000942518459 703019029 /nfs/dbraw/zinc/01/90/29/703019029.db2.gz RXMMPXDIEMBQAJ-XJKSGUPXSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)o1 ZINC000942518459 703019033 /nfs/dbraw/zinc/01/90/33/703019033.db2.gz RXMMPXDIEMBQAJ-XJKSGUPXSA-N 2 2 345.447 1.769 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996728148 703022147 /nfs/dbraw/zinc/02/21/47/703022147.db2.gz AADFFEWVDOFNFR-MAUKXSAKSA-N 2 2 346.475 1.595 20 0 EDADLP CC[C@H]([NH2+]C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1)C(N)=O ZINC000996727874 703022849 /nfs/dbraw/zinc/02/28/49/703022849.db2.gz HSJVLUYQIAVUSL-ZDUSSCGKSA-N 2 2 329.404 1.021 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996738132 703034300 /nfs/dbraw/zinc/03/43/00/703034300.db2.gz LVWRGGXYNUHHLO-MRXNPFEDSA-N 2 2 339.443 1.621 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996741257 703036207 /nfs/dbraw/zinc/03/62/07/703036207.db2.gz ZBFJVOVHWLEWMF-CABCVRRESA-N 2 2 332.448 1.063 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996756325 703044748 /nfs/dbraw/zinc/04/47/48/703044748.db2.gz JFSFWQKYYWPNEF-NVXWUHKLSA-N 2 2 346.475 1.595 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556138 703070254 /nfs/dbraw/zinc/07/02/54/703070254.db2.gz VZJJFABXGKOCDG-ZFWWWQNUSA-N 2 2 335.452 1.271 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942556138 703070255 /nfs/dbraw/zinc/07/02/55/703070255.db2.gz VZJJFABXGKOCDG-ZFWWWQNUSA-N 2 2 335.452 1.271 20 0 EDADLP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001032331382 703108169 /nfs/dbraw/zinc/10/81/69/703108169.db2.gz BFLRARYPPTWTEB-GBESFXJTSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cc(C)cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001032331382 703108171 /nfs/dbraw/zinc/10/81/71/703108171.db2.gz BFLRARYPPTWTEB-GBESFXJTSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)CCO2)c1 ZINC001032331382 703108173 /nfs/dbraw/zinc/10/81/73/703108173.db2.gz BFLRARYPPTWTEB-GBESFXJTSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2C[NH+](C)CCO2)c1 ZINC001032331382 703108175 /nfs/dbraw/zinc/10/81/75/703108175.db2.gz BFLRARYPPTWTEB-GBESFXJTSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000996858387 703142632 /nfs/dbraw/zinc/14/26/32/703142632.db2.gz HRWKEUYUONAZHK-GFCCVEGCSA-N 2 2 332.408 1.306 20 0 EDADLP Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997020888 703282675 /nfs/dbraw/zinc/28/26/75/703282675.db2.gz FEVMRLDHOSOZDW-HUUCEWRRSA-N 2 2 343.431 1.601 20 0 EDADLP CCc1nnc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)o1 ZINC000997045119 703293273 /nfs/dbraw/zinc/29/32/73/703293273.db2.gz ILBHLRLAWDPYMN-ZDUSSCGKSA-N 2 2 346.435 1.560 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000997085632 703331145 /nfs/dbraw/zinc/33/11/45/703331145.db2.gz PQXGSVQRRWYCEY-LBPRGKRZSA-N 2 2 333.461 1.826 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000997085632 703331147 /nfs/dbraw/zinc/33/11/47/703331147.db2.gz PQXGSVQRRWYCEY-LBPRGKRZSA-N 2 2 333.461 1.826 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997085903 703331461 /nfs/dbraw/zinc/33/14/61/703331461.db2.gz RYGZEBAEPDZWBS-YOEHRIQHSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997085903 703331463 /nfs/dbraw/zinc/33/14/63/703331463.db2.gz RYGZEBAEPDZWBS-YOEHRIQHSA-N 2 2 334.464 1.738 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2cccc(Cl)n2)CC1 ZINC000997122758 703379360 /nfs/dbraw/zinc/37/93/60/703379360.db2.gz DHPCMZILUGQBCO-UHFFFAOYSA-N 2 2 333.823 1.781 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001032407759 703433552 /nfs/dbraw/zinc/43/35/52/703433552.db2.gz NJDFEKZUZLSHOC-YESZJQIVSA-N 2 2 344.459 1.418 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001032407759 703433553 /nfs/dbraw/zinc/43/35/53/703433553.db2.gz NJDFEKZUZLSHOC-YESZJQIVSA-N 2 2 344.459 1.418 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032410750 703441384 /nfs/dbraw/zinc/44/13/84/703441384.db2.gz SIULZFRRTMSWJK-SYAUCNOPSA-N 2 2 332.448 1.417 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001032410750 703441387 /nfs/dbraw/zinc/44/13/87/703441387.db2.gz SIULZFRRTMSWJK-SYAUCNOPSA-N 2 2 332.448 1.417 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032410750 703441390 /nfs/dbraw/zinc/44/13/90/703441390.db2.gz SIULZFRRTMSWJK-SYAUCNOPSA-N 2 2 332.448 1.417 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001032410750 703441391 /nfs/dbraw/zinc/44/13/91/703441391.db2.gz SIULZFRRTMSWJK-SYAUCNOPSA-N 2 2 332.448 1.417 20 0 EDADLP Cc1nnc(C[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)s1 ZINC000997181510 703466144 /nfs/dbraw/zinc/46/61/44/703466144.db2.gz AJMZSEAUHSJNBI-UHFFFAOYSA-N 2 2 348.476 1.628 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)cs1 ZINC000997182238 703467262 /nfs/dbraw/zinc/46/72/62/703467262.db2.gz HGSKGYFFIXICFU-UHFFFAOYSA-N 2 2 347.488 1.762 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000997180242 703470443 /nfs/dbraw/zinc/47/04/43/703470443.db2.gz NZRZLQOMURERGA-KRWDZBQOSA-N 2 2 334.464 1.502 20 0 EDADLP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000997185709 703474724 /nfs/dbraw/zinc/47/47/24/703474724.db2.gz IMKQPEMQIWKORV-GDBMZVCRSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997220648 703498729 /nfs/dbraw/zinc/49/87/29/703498729.db2.gz DTSAGNUPNOOUTP-UHFFFAOYSA-N 2 2 342.443 1.534 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2nnc(C(C)C)o2)CC1 ZINC000997309600 703566840 /nfs/dbraw/zinc/56/68/40/703566840.db2.gz LYDKKBWLPAWXHU-UHFFFAOYSA-N 2 2 346.435 1.479 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2nc(C(C)C)no2)CC1 ZINC000997309614 703566991 /nfs/dbraw/zinc/56/69/91/703566991.db2.gz MEHNDPAWDVGRKU-UHFFFAOYSA-N 2 2 346.435 1.479 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)[nH]1 ZINC000997310247 703567481 /nfs/dbraw/zinc/56/74/81/703567481.db2.gz PVWSNLQUDOOXTN-GFCCVEGCSA-N 2 2 345.451 1.214 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2c[nH+]cn2C)C1 ZINC001032443482 703619941 /nfs/dbraw/zinc/61/99/41/703619941.db2.gz WWRWSQJLMPNUIY-ULQDDVLXSA-N 2 2 345.491 1.183 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2c[nH+]cn2C)C1 ZINC001032443482 703619942 /nfs/dbraw/zinc/61/99/42/703619942.db2.gz WWRWSQJLMPNUIY-ULQDDVLXSA-N 2 2 345.491 1.183 20 0 EDADLP Cn1c[nH+]cc1CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001032454597 703641308 /nfs/dbraw/zinc/64/13/08/703641308.db2.gz ZQZGABRUWQEXMA-JYJNAYRXSA-N 2 2 331.464 1.080 20 0 EDADLP Cn1c[nH+]cc1CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032454597 703641310 /nfs/dbraw/zinc/64/13/10/703641310.db2.gz ZQZGABRUWQEXMA-JYJNAYRXSA-N 2 2 331.464 1.080 20 0 EDADLP COc1ccc(C)cc1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997417744 703669474 /nfs/dbraw/zinc/66/94/74/703669474.db2.gz SMNYYIYEMHOOBD-UHFFFAOYSA-N 2 2 342.443 1.981 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO[C@H]1CC1(F)F)[NH+](C)C ZINC001032474583 703694768 /nfs/dbraw/zinc/69/47/68/703694768.db2.gz FBXBRINVQPUJHP-FQUUOJAGSA-N 2 2 331.407 1.036 20 0 EDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO[C@H]1CC1(F)F)[NH+](C)C ZINC001032474583 703694770 /nfs/dbraw/zinc/69/47/70/703694770.db2.gz FBXBRINVQPUJHP-FQUUOJAGSA-N 2 2 331.407 1.036 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001032479127 703714285 /nfs/dbraw/zinc/71/42/85/703714285.db2.gz FTAWTTZKUULWQS-LNLFQRSKSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001032479127 703714286 /nfs/dbraw/zinc/71/42/86/703714286.db2.gz FTAWTTZKUULWQS-LNLFQRSKSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001032479127 703714287 /nfs/dbraw/zinc/71/42/87/703714287.db2.gz FTAWTTZKUULWQS-LNLFQRSKSA-N 2 2 343.471 1.965 20 0 EDADLP COc1cccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC001032479127 703714288 /nfs/dbraw/zinc/71/42/88/703714288.db2.gz FTAWTTZKUULWQS-LNLFQRSKSA-N 2 2 343.471 1.965 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001004201306 703928653 /nfs/dbraw/zinc/92/86/53/703928653.db2.gz MOHJTDSAEBFJRW-INIZCTEOSA-N 2 2 333.480 1.375 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001004201306 703928655 /nfs/dbraw/zinc/92/86/55/703928655.db2.gz MOHJTDSAEBFJRW-INIZCTEOSA-N 2 2 333.480 1.375 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2c[nH+]cc2C)c1 ZINC001032522669 703970605 /nfs/dbraw/zinc/97/06/05/703970605.db2.gz ONFRKANYIHNZLN-IRXDYDNUSA-N 2 2 340.427 1.685 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2c[nH+]cc2C)c1 ZINC001032522669 703970608 /nfs/dbraw/zinc/97/06/08/703970608.db2.gz ONFRKANYIHNZLN-IRXDYDNUSA-N 2 2 340.427 1.685 20 0 EDADLP COc1ccc(CC[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC001004252868 704078265 /nfs/dbraw/zinc/07/82/65/704078265.db2.gz JINLEIJKQWSRGO-UHFFFAOYSA-N 2 2 342.443 1.715 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001004257961 704086071 /nfs/dbraw/zinc/08/60/71/704086071.db2.gz OTQTZQTWSHZDQH-UHFFFAOYSA-N 2 2 328.416 1.156 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033082828 704140340 /nfs/dbraw/zinc/14/03/40/704140340.db2.gz SWOUXNPLQHAUQZ-ROUUACIJSA-N 2 2 345.491 1.278 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033082828 704140341 /nfs/dbraw/zinc/14/03/41/704140341.db2.gz SWOUXNPLQHAUQZ-ROUUACIJSA-N 2 2 345.491 1.278 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC001033080165 704145571 /nfs/dbraw/zinc/14/55/71/704145571.db2.gz DJYFDMILAGQQMX-ROUUACIJSA-N 2 2 345.491 1.103 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC001033080165 704145573 /nfs/dbraw/zinc/14/55/73/704145573.db2.gz DJYFDMILAGQQMX-ROUUACIJSA-N 2 2 345.491 1.103 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001033092835 704169414 /nfs/dbraw/zinc/16/94/14/704169414.db2.gz WDFMWOAHNPTQDS-VNHYZAJKSA-N 2 2 336.436 1.056 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)on1 ZINC001033092835 704169417 /nfs/dbraw/zinc/16/94/17/704169417.db2.gz WDFMWOAHNPTQDS-VNHYZAJKSA-N 2 2 336.436 1.056 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC001033092835 704169418 /nfs/dbraw/zinc/16/94/18/704169418.db2.gz WDFMWOAHNPTQDS-VNHYZAJKSA-N 2 2 336.436 1.056 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)on1 ZINC001033092835 704169421 /nfs/dbraw/zinc/16/94/21/704169421.db2.gz WDFMWOAHNPTQDS-VNHYZAJKSA-N 2 2 336.436 1.056 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001033093218 704170453 /nfs/dbraw/zinc/17/04/53/704170453.db2.gz ZELKHZVFHRPEKQ-UHOFOFEASA-N 2 2 336.505 1.824 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001033093218 704170454 /nfs/dbraw/zinc/17/04/54/704170454.db2.gz ZELKHZVFHRPEKQ-UHOFOFEASA-N 2 2 336.505 1.824 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001033093218 704170456 /nfs/dbraw/zinc/17/04/56/704170456.db2.gz ZELKHZVFHRPEKQ-UHOFOFEASA-N 2 2 336.505 1.824 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001033093218 704170458 /nfs/dbraw/zinc/17/04/58/704170458.db2.gz ZELKHZVFHRPEKQ-UHOFOFEASA-N 2 2 336.505 1.824 20 0 EDADLP CCc1noc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)n1 ZINC000997732214 704623673 /nfs/dbraw/zinc/62/36/73/704623673.db2.gz DTJIWSQZCRIMKN-UHFFFAOYSA-N 2 2 346.435 1.316 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)o1 ZINC000997817994 704734838 /nfs/dbraw/zinc/73/48/38/704734838.db2.gz QZTCGSHKYYYYMT-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)o1 ZINC000997817994 704734839 /nfs/dbraw/zinc/73/48/39/704734839.db2.gz QZTCGSHKYYYYMT-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997874167 704779162 /nfs/dbraw/zinc/77/91/62/704779162.db2.gz KYZJICJVQYDKTA-YOEHRIQHSA-N 2 2 349.479 1.661 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997874167 704779165 /nfs/dbraw/zinc/77/91/65/704779165.db2.gz KYZJICJVQYDKTA-YOEHRIQHSA-N 2 2 349.479 1.661 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944945257 704798195 /nfs/dbraw/zinc/79/81/95/704798195.db2.gz QOOFOALSUBVGAP-UONOGXRCSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944945257 704798197 /nfs/dbraw/zinc/79/81/97/704798197.db2.gz QOOFOALSUBVGAP-UONOGXRCSA-N 2 2 335.452 1.054 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000997953706 705083018 /nfs/dbraw/zinc/08/30/18/705083018.db2.gz XZPGLFANGSSHKA-UHFFFAOYSA-N 2 2 334.449 1.153 20 0 EDADLP CCCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997976856 705120784 /nfs/dbraw/zinc/12/07/84/705120784.db2.gz OGSZGQARWUMINA-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997976856 705120787 /nfs/dbraw/zinc/12/07/87/705120787.db2.gz OGSZGQARWUMINA-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997976856 705120789 /nfs/dbraw/zinc/12/07/89/705120789.db2.gz OGSZGQARWUMINA-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997976856 705120792 /nfs/dbraw/zinc/12/07/92/705120792.db2.gz OGSZGQARWUMINA-SJORKVTESA-N 2 2 325.497 1.820 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032592250 705189730 /nfs/dbraw/zinc/18/97/30/705189730.db2.gz MJLKPAXQDIDPJD-HOTGVXAUSA-N 2 2 347.459 1.809 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032592250 705189733 /nfs/dbraw/zinc/18/97/33/705189733.db2.gz MJLKPAXQDIDPJD-HOTGVXAUSA-N 2 2 347.459 1.809 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000998048510 705246214 /nfs/dbraw/zinc/24/62/14/705246214.db2.gz WASYGKNAVFQMHJ-CQSZACIVSA-N 2 2 343.431 1.365 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CCC[N@@H+](CC(N)=O)CC1 ZINC000998048510 705246216 /nfs/dbraw/zinc/24/62/16/705246216.db2.gz WASYGKNAVFQMHJ-CQSZACIVSA-N 2 2 343.431 1.365 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998052944 705256271 /nfs/dbraw/zinc/25/62/71/705256271.db2.gz RDTLBTPODFTTIG-CVEARBPZSA-N 2 2 334.464 1.141 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998052944 705256275 /nfs/dbraw/zinc/25/62/75/705256275.db2.gz RDTLBTPODFTTIG-CVEARBPZSA-N 2 2 334.464 1.141 20 0 EDADLP Cc1nnc(C[NH2+]CC2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)[nH]1 ZINC000998126934 705381283 /nfs/dbraw/zinc/38/12/83/705381283.db2.gz NORDCVFRSUXXKZ-CYBMUJFWSA-N 2 2 345.451 1.289 20 0 EDADLP COc1ccnc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000998183243 705483001 /nfs/dbraw/zinc/48/30/01/705483001.db2.gz NXLWOGBJDBTHOT-UHFFFAOYSA-N 2 2 343.431 1.384 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000998184461 705485184 /nfs/dbraw/zinc/48/51/84/705485184.db2.gz VNKOHMJVUOZGPJ-AWEZNQCLSA-N 2 2 342.447 1.640 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1)c1ncccn1 ZINC000998221177 705545860 /nfs/dbraw/zinc/54/58/60/705545860.db2.gz DASYPYRQBYQGGX-CQSZACIVSA-N 2 2 342.447 1.342 20 0 EDADLP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC000998223389 705550931 /nfs/dbraw/zinc/55/09/31/705550931.db2.gz PHBJWGAECIBUDL-UHFFFAOYSA-N 2 2 345.447 1.596 20 0 EDADLP CCc1nnc(C[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)o1 ZINC000998245372 705588453 /nfs/dbraw/zinc/58/84/53/705588453.db2.gz TWJOHKMAXKHCOK-UHFFFAOYSA-N 2 2 346.435 1.234 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000998252928 705607854 /nfs/dbraw/zinc/60/78/54/705607854.db2.gz DTKZBDYHGCBETG-UHFFFAOYSA-N 2 2 348.476 1.233 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC000998298387 705701996 /nfs/dbraw/zinc/70/19/96/705701996.db2.gz XBWIWILNOLVDGC-LBPRGKRZSA-N 2 2 348.476 1.632 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC000998722071 706153804 /nfs/dbraw/zinc/15/38/04/706153804.db2.gz OBCHDMIZWKSDOQ-KBPBESRZSA-N 2 2 349.479 1.542 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)(C)C)no2)C1 ZINC000998722071 706153805 /nfs/dbraw/zinc/15/38/05/706153805.db2.gz OBCHDMIZWKSDOQ-KBPBESRZSA-N 2 2 349.479 1.542 20 0 EDADLP Cc1nonc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000998902428 706339103 /nfs/dbraw/zinc/33/91/03/706339103.db2.gz VDYKRLCZLGPUGC-SSDMNJCBSA-N 2 2 344.419 1.231 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]CCn2cncn2)C1 ZINC000998988496 706420531 /nfs/dbraw/zinc/42/05/31/706420531.db2.gz LFWXGLNWGONOSZ-UHFFFAOYSA-N 2 2 339.403 1.047 20 0 EDADLP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999004657 706444705 /nfs/dbraw/zinc/44/47/05/706444705.db2.gz JKNNMIIETRAVFE-IUDNXUCKSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999006367 706446704 /nfs/dbraw/zinc/44/67/04/706446704.db2.gz BIYHUEHMPOOAPN-KTAKPFMOSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2nc(C)c(C)o2)C1 ZINC000999128310 706529935 /nfs/dbraw/zinc/52/99/35/706529935.db2.gz WKJGNSWPWVQANO-UHFFFAOYSA-N 2 2 331.420 1.576 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999143670 706557268 /nfs/dbraw/zinc/55/72/68/706557268.db2.gz HSBKLPRXDTWWNH-ZFWWWQNUSA-N 2 2 337.493 1.492 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999143670 706557270 /nfs/dbraw/zinc/55/72/70/706557270.db2.gz HSBKLPRXDTWWNH-ZFWWWQNUSA-N 2 2 337.493 1.492 20 0 EDADLP CCc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999355303 706844774 /nfs/dbraw/zinc/84/47/74/706844774.db2.gz UIJANLWNCYXYRU-UONOGXRCSA-N 2 2 349.479 1.758 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1csnn1 ZINC000999346857 706858584 /nfs/dbraw/zinc/85/85/84/706858584.db2.gz GSYZYFQQHAFUBS-QWHCGFSZSA-N 2 2 337.493 1.664 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999369757 706883334 /nfs/dbraw/zinc/88/33/34/706883334.db2.gz KKHLXPUSZCABBT-HOCLYGCPSA-N 2 2 349.479 1.614 20 0 EDADLP COc1cc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)sn1 ZINC000999470718 706979834 /nfs/dbraw/zinc/97/98/34/706979834.db2.gz VOXXOYMMHKJHFJ-UHFFFAOYSA-N 2 2 335.433 1.197 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000999497230 706994977 /nfs/dbraw/zinc/99/49/77/706994977.db2.gz PLTDRHHLEDBMLX-IRXDYDNUSA-N 2 2 347.459 1.782 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999515159 707014516 /nfs/dbraw/zinc/01/45/16/707014516.db2.gz YDLPRVWEGCCFFH-ZIAGYGMSSA-N 2 2 335.452 1.197 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999515159 707014517 /nfs/dbraw/zinc/01/45/17/707014517.db2.gz YDLPRVWEGCCFFH-ZIAGYGMSSA-N 2 2 335.452 1.197 20 0 EDADLP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000999537359 707037984 /nfs/dbraw/zinc/03/79/84/707037984.db2.gz RPUATUKGVWKTMH-HOCLYGCPSA-N 2 2 343.431 1.523 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)c1csnn1 ZINC000999598481 707100789 /nfs/dbraw/zinc/10/07/89/707100789.db2.gz UQPGUMGDSLVPCV-KBPBESRZSA-N 2 2 349.504 1.808 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999599266 707101952 /nfs/dbraw/zinc/10/19/52/707101952.db2.gz YCIOGOSZUWXDMS-ZFWWWQNUSA-N 2 2 347.463 1.648 20 0 EDADLP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000999697136 707223057 /nfs/dbraw/zinc/22/30/57/707223057.db2.gz JTUAPYIVEFNDLX-UHFFFAOYSA-N 2 2 331.420 1.763 20 0 EDADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)C1CC([NH2+]CC2CC2)C1 ZINC000999686319 707238017 /nfs/dbraw/zinc/23/80/17/707238017.db2.gz RJXKSFNDJFCFGF-UHFFFAOYSA-N 2 2 325.416 1.870 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2csc(C)n2)C1 ZINC000999728661 707271203 /nfs/dbraw/zinc/27/12/03/707271203.db2.gz SJPPEKDYYXFVSE-AWEZNQCLSA-N 2 2 333.461 1.737 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001033268302 707309161 /nfs/dbraw/zinc/30/91/61/707309161.db2.gz YCGYAIOUNOQJHB-HNNXBMFYSA-N 2 2 347.488 1.998 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001033268302 707309165 /nfs/dbraw/zinc/30/91/65/707309165.db2.gz YCGYAIOUNOQJHB-HNNXBMFYSA-N 2 2 347.488 1.998 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000999803130 707374598 /nfs/dbraw/zinc/37/45/98/707374598.db2.gz YPKXNEPYPJFPOM-MSOLQXFVSA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000999803130 707374604 /nfs/dbraw/zinc/37/46/04/707374604.db2.gz YPKXNEPYPJFPOM-MSOLQXFVSA-N 2 2 335.492 1.478 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](Cc3ccns3)C[C@H]2CC1 ZINC000946800342 707451028 /nfs/dbraw/zinc/45/10/28/707451028.db2.gz AKYZQJDPJCKGEL-OKILXGFUSA-N 2 2 345.472 1.779 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](Cc3ccns3)C[C@H]2CC1 ZINC000946800342 707451030 /nfs/dbraw/zinc/45/10/30/707451030.db2.gz AKYZQJDPJCKGEL-OKILXGFUSA-N 2 2 345.472 1.779 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2nc3c(o2)CCCC3)C1 ZINC000999918027 707559638 /nfs/dbraw/zinc/55/96/38/707559638.db2.gz ZIYYBOCHQPKURF-UHFFFAOYSA-N 2 2 343.431 1.529 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033364402 707656855 /nfs/dbraw/zinc/65/68/55/707656855.db2.gz FFAXZXLMDHRYHE-IRXDYDNUSA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033364402 707656859 /nfs/dbraw/zinc/65/68/59/707656859.db2.gz FFAXZXLMDHRYHE-IRXDYDNUSA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](CCCF)C1 ZINC001033364402 707656861 /nfs/dbraw/zinc/65/68/61/707656861.db2.gz FFAXZXLMDHRYHE-IRXDYDNUSA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](CCCF)C1 ZINC001033364402 707656863 /nfs/dbraw/zinc/65/68/63/707656863.db2.gz FFAXZXLMDHRYHE-IRXDYDNUSA-N 2 2 341.471 1.522 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033359718 707686808 /nfs/dbraw/zinc/68/68/08/707686808.db2.gz BBASIKMDPVWTIO-ZWKOTPCHSA-N 2 2 335.492 1.573 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033359718 707686812 /nfs/dbraw/zinc/68/68/12/707686812.db2.gz BBASIKMDPVWTIO-ZWKOTPCHSA-N 2 2 335.492 1.573 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033359718 707686814 /nfs/dbraw/zinc/68/68/14/707686814.db2.gz BBASIKMDPVWTIO-ZWKOTPCHSA-N 2 2 335.492 1.573 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033359718 707686817 /nfs/dbraw/zinc/68/68/17/707686817.db2.gz BBASIKMDPVWTIO-ZWKOTPCHSA-N 2 2 335.492 1.573 20 0 EDADLP Cc1nccnc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004956987 707752394 /nfs/dbraw/zinc/75/23/94/707752394.db2.gz SSWANXPQNWMNMC-PBHICJAKSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)cc[nH+]1 ZINC001060907906 707756285 /nfs/dbraw/zinc/75/62/85/707756285.db2.gz FXSKMJDTNBMBNC-MRXNPFEDSA-N 2 2 331.464 1.777 20 0 EDADLP C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004967778 707765631 /nfs/dbraw/zinc/76/56/31/707765631.db2.gz SDWBRQUAQNKSDD-HOCLYGCPSA-N 2 2 334.464 1.738 20 0 EDADLP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004962440 707785673 /nfs/dbraw/zinc/78/56/73/707785673.db2.gz CVYDSJGJPJYDNK-DZGCQCFKSA-N 2 2 330.436 1.245 20 0 EDADLP C[C@H]([NH2+]Cc1cncs1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004974810 707805735 /nfs/dbraw/zinc/80/57/35/707805735.db2.gz AWWIVQIMCBLQOE-XJKSGUPXSA-N 2 2 347.488 1.979 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420312 707830619 /nfs/dbraw/zinc/83/06/19/707830619.db2.gz NVVAREWIWKUNCK-WBVHZDCISA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033420312 707830622 /nfs/dbraw/zinc/83/06/22/707830622.db2.gz NVVAREWIWKUNCK-WBVHZDCISA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033420312 707830626 /nfs/dbraw/zinc/83/06/26/707830626.db2.gz NVVAREWIWKUNCK-WBVHZDCISA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420312 707830628 /nfs/dbraw/zinc/83/06/28/707830628.db2.gz NVVAREWIWKUNCK-WBVHZDCISA-N 2 2 346.475 1.465 20 0 EDADLP C[C@H]([NH2+]Cc1cscn1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984561 707832299 /nfs/dbraw/zinc/83/22/99/707832299.db2.gz WYHRIMCZABZUGS-BBRMVZONSA-N 2 2 347.488 1.979 20 0 EDADLP COCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)CC1 ZINC001000201841 707842658 /nfs/dbraw/zinc/84/26/58/707842658.db2.gz KWXDEPZSWSSYAU-OAHLLOKOSA-N 2 2 346.475 1.453 20 0 EDADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001033426200 707847611 /nfs/dbraw/zinc/84/76/11/707847611.db2.gz OMIDCJAYTWDDGQ-CQSZACIVSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001033426200 707847615 /nfs/dbraw/zinc/84/76/15/707847615.db2.gz OMIDCJAYTWDDGQ-CQSZACIVSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2cncs2)C1 ZINC001033426200 707847619 /nfs/dbraw/zinc/84/76/19/707847619.db2.gz OMIDCJAYTWDDGQ-CQSZACIVSA-N 2 2 336.505 1.908 20 0 EDADLP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+](Cc2cncs2)C1 ZINC001033426200 707847625 /nfs/dbraw/zinc/84/76/25/707847625.db2.gz OMIDCJAYTWDDGQ-CQSZACIVSA-N 2 2 336.505 1.908 20 0 EDADLP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)o1 ZINC001004983723 707866692 /nfs/dbraw/zinc/86/66/92/707866692.db2.gz RUHPMWXGWRYYJS-GUYCJALGSA-N 2 2 345.447 1.818 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)on1 ZINC001004998960 707898452 /nfs/dbraw/zinc/89/84/52/707898452.db2.gz CLPHKUQFGPMMQT-GOEBONIOSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1nocc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005006901 707914065 /nfs/dbraw/zinc/91/40/65/707914065.db2.gz ACSSVFQGAQAZPG-ZBFHGGJFSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1conc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005009388 707926115 /nfs/dbraw/zinc/92/61/15/707926115.db2.gz MIVPFCRCKRBCHI-HOCLYGCPSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476324 707937014 /nfs/dbraw/zinc/93/70/14/707937014.db2.gz VRUBTZRCYBDKIQ-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033476324 707937018 /nfs/dbraw/zinc/93/70/18/707937018.db2.gz VRUBTZRCYBDKIQ-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP COc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)cc1 ZINC001032814569 708146671 /nfs/dbraw/zinc/14/66/71/708146671.db2.gz DAKOPFKRNZHSPJ-IRXDYDNUSA-N 2 2 340.427 1.420 20 0 EDADLP COc1ccc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)cc1 ZINC001032814569 708146673 /nfs/dbraw/zinc/14/66/73/708146673.db2.gz DAKOPFKRNZHSPJ-IRXDYDNUSA-N 2 2 340.427 1.420 20 0 EDADLP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815281 708149814 /nfs/dbraw/zinc/14/98/14/708149814.db2.gz PFPDOYHTSXRNTF-IRXDYDNUSA-N 2 2 339.443 1.434 20 0 EDADLP CN(C)c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815281 708149815 /nfs/dbraw/zinc/14/98/15/708149815.db2.gz PFPDOYHTSXRNTF-IRXDYDNUSA-N 2 2 339.443 1.434 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nc(C)no2)CC1 ZINC001001465706 708149837 /nfs/dbraw/zinc/14/98/37/708149837.db2.gz FJZDNHQZHPVNTO-MRXNPFEDSA-N 2 2 349.479 1.581 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2nc(C)no2)CC1 ZINC001001465706 708149838 /nfs/dbraw/zinc/14/98/38/708149838.db2.gz FJZDNHQZHPVNTO-MRXNPFEDSA-N 2 2 349.479 1.581 20 0 EDADLP COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)c1C ZINC001032815093 708152306 /nfs/dbraw/zinc/15/23/06/708152306.db2.gz ZLNCRGPCGPUBKZ-IRXDYDNUSA-N 2 2 340.427 1.685 20 0 EDADLP COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cn2cc[nH+]c2)c1C ZINC001032815093 708152308 /nfs/dbraw/zinc/15/23/08/708152308.db2.gz ZLNCRGPCGPUBKZ-IRXDYDNUSA-N 2 2 340.427 1.685 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC001033617052 708343653 /nfs/dbraw/zinc/34/36/53/708343653.db2.gz OHOGNQXEXAIUND-CQSZACIVSA-N 2 2 345.447 1.852 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC001033617052 708343655 /nfs/dbraw/zinc/34/36/55/708343655.db2.gz OHOGNQXEXAIUND-CQSZACIVSA-N 2 2 345.447 1.852 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618020 708346176 /nfs/dbraw/zinc/34/61/76/708346176.db2.gz DQSWHJGTOTUJRC-AWEZNQCLSA-N 2 2 345.447 1.852 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618020 708346180 /nfs/dbraw/zinc/34/61/80/708346180.db2.gz DQSWHJGTOTUJRC-AWEZNQCLSA-N 2 2 345.447 1.852 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(C)c3)C2)C1 ZINC001033681596 708493063 /nfs/dbraw/zinc/49/30/63/708493063.db2.gz VDNPMKFKBCMFTI-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cncc(C)c3)C2)C1 ZINC001033681596 708493064 /nfs/dbraw/zinc/49/30/64/708493064.db2.gz VDNPMKFKBCMFTI-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cncc(C)c3)C2)C1 ZINC001033681596 708493067 /nfs/dbraw/zinc/49/30/67/708493067.db2.gz VDNPMKFKBCMFTI-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cncc(C)c3)C2)C1 ZINC001033681596 708493068 /nfs/dbraw/zinc/49/30/68/708493068.db2.gz VDNPMKFKBCMFTI-QZTJIDSGSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033684127 708496653 /nfs/dbraw/zinc/49/66/53/708496653.db2.gz DHRKVLKTSKPJPA-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033684127 708496655 /nfs/dbraw/zinc/49/66/55/708496655.db2.gz DHRKVLKTSKPJPA-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033684127 708496658 /nfs/dbraw/zinc/49/66/58/708496658.db2.gz DHRKVLKTSKPJPA-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033684127 708496659 /nfs/dbraw/zinc/49/66/59/708496659.db2.gz DHRKVLKTSKPJPA-MSOLQXFVSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033684720 708497733 /nfs/dbraw/zinc/49/77/33/708497733.db2.gz HYVYVIKIEOVQOQ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033684720 708497736 /nfs/dbraw/zinc/49/77/36/708497736.db2.gz HYVYVIKIEOVQOQ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033684720 708497739 /nfs/dbraw/zinc/49/77/39/708497739.db2.gz HYVYVIKIEOVQOQ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033684720 708497743 /nfs/dbraw/zinc/49/77/43/708497743.db2.gz HYVYVIKIEOVQOQ-WBVHZDCISA-N 2 2 333.480 1.327 20 0 EDADLP Cc1ccccc1OCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703776 708532589 /nfs/dbraw/zinc/53/25/89/708532589.db2.gz HPGGWFCHHYIRRA-KRWDZBQOSA-N 2 2 342.443 1.803 20 0 EDADLP Cc1ccccc1OCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703776 708532591 /nfs/dbraw/zinc/53/25/91/708532591.db2.gz HPGGWFCHHYIRRA-KRWDZBQOSA-N 2 2 342.443 1.803 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001033704219 708533410 /nfs/dbraw/zinc/53/34/10/708533410.db2.gz PEOXSQZZZREOLZ-UONOGXRCSA-N 2 2 326.391 1.851 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001033704219 708533412 /nfs/dbraw/zinc/53/34/12/708533412.db2.gz PEOXSQZZZREOLZ-UONOGXRCSA-N 2 2 326.391 1.851 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033774855 708674036 /nfs/dbraw/zinc/67/40/36/708674036.db2.gz KEMFRIYSAZUHOM-IAGOWNOFSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033774855 708674038 /nfs/dbraw/zinc/67/40/38/708674038.db2.gz KEMFRIYSAZUHOM-IAGOWNOFSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033774855 708674041 /nfs/dbraw/zinc/67/40/41/708674041.db2.gz KEMFRIYSAZUHOM-IAGOWNOFSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cncc(F)c2)C1 ZINC001033774855 708674043 /nfs/dbraw/zinc/67/40/43/708674043.db2.gz KEMFRIYSAZUHOM-IAGOWNOFSA-N 2 2 334.439 1.738 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033790355 708715189 /nfs/dbraw/zinc/71/51/89/708715189.db2.gz UZQOERINTNXNPS-RTBURBONSA-N 2 2 345.487 1.483 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033790355 708715192 /nfs/dbraw/zinc/71/51/92/708715192.db2.gz UZQOERINTNXNPS-RTBURBONSA-N 2 2 345.487 1.483 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC001033790355 708715194 /nfs/dbraw/zinc/71/51/94/708715194.db2.gz UZQOERINTNXNPS-RTBURBONSA-N 2 2 345.487 1.483 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC001033790355 708715196 /nfs/dbraw/zinc/71/51/96/708715196.db2.gz UZQOERINTNXNPS-RTBURBONSA-N 2 2 345.487 1.483 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cnns2)C1 ZINC001033830542 708852057 /nfs/dbraw/zinc/85/20/57/708852057.db2.gz JPRUFHXQPDYWMH-ZBFHGGJFSA-N 2 2 349.504 1.303 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2cnns2)C1 ZINC001033830542 708852062 /nfs/dbraw/zinc/85/20/62/708852062.db2.gz JPRUFHXQPDYWMH-ZBFHGGJFSA-N 2 2 349.504 1.303 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC001005407267 708937618 /nfs/dbraw/zinc/93/76/18/708937618.db2.gz OMZUEHZCMJCVNO-RHSMWYFYSA-N 2 2 333.480 1.183 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccn(C)n3)CC2)CC[N@H+]1C ZINC001005407267 708937621 /nfs/dbraw/zinc/93/76/21/708937621.db2.gz OMZUEHZCMJCVNO-RHSMWYFYSA-N 2 2 333.480 1.183 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001033926483 709055592 /nfs/dbraw/zinc/05/55/92/709055592.db2.gz CZYYUNANXGSEJF-WBVHZDCISA-N 2 2 348.495 1.205 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001033926483 709055596 /nfs/dbraw/zinc/05/55/96/709055596.db2.gz CZYYUNANXGSEJF-WBVHZDCISA-N 2 2 348.495 1.205 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001033926483 709055600 /nfs/dbraw/zinc/05/56/00/709055600.db2.gz CZYYUNANXGSEJF-WBVHZDCISA-N 2 2 348.495 1.205 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001033926483 709055603 /nfs/dbraw/zinc/05/56/03/709055603.db2.gz CZYYUNANXGSEJF-WBVHZDCISA-N 2 2 348.495 1.205 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001002522170 709075818 /nfs/dbraw/zinc/07/58/18/709075818.db2.gz IPRTUXRNHJLNGP-MTCRFPMVSA-N 2 2 343.471 1.611 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC001002522170 709075820 /nfs/dbraw/zinc/07/58/20/709075820.db2.gz IPRTUXRNHJLNGP-MTCRFPMVSA-N 2 2 343.471 1.611 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001002791992 709399746 /nfs/dbraw/zinc/39/97/46/709399746.db2.gz LOJDZNQWYGPPRL-KRWDZBQOSA-N 2 2 333.480 1.374 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001002791992 709399749 /nfs/dbraw/zinc/39/97/49/709399749.db2.gz LOJDZNQWYGPPRL-KRWDZBQOSA-N 2 2 333.480 1.374 20 0 EDADLP Cc1nnsc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034131095 709401143 /nfs/dbraw/zinc/40/11/43/709401143.db2.gz LIMMKOCVYVGMEN-KGLIPLIRSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034131095 709401146 /nfs/dbraw/zinc/40/11/46/709401146.db2.gz LIMMKOCVYVGMEN-KGLIPLIRSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034131095 709401148 /nfs/dbraw/zinc/40/11/48/709401148.db2.gz LIMMKOCVYVGMEN-KGLIPLIRSA-N 2 2 337.493 1.411 20 0 EDADLP Cc1nnsc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034131095 709401151 /nfs/dbraw/zinc/40/11/51/709401151.db2.gz LIMMKOCVYVGMEN-KGLIPLIRSA-N 2 2 337.493 1.411 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001034135966 709406621 /nfs/dbraw/zinc/40/66/21/709406621.db2.gz HPMCAADWMLXPTR-IAGOWNOFSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC001034135966 709406625 /nfs/dbraw/zinc/40/66/25/709406625.db2.gz HPMCAADWMLXPTR-IAGOWNOFSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC001034135966 709406626 /nfs/dbraw/zinc/40/66/26/709406626.db2.gz HPMCAADWMLXPTR-IAGOWNOFSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)ccn1 ZINC001034135966 709406628 /nfs/dbraw/zinc/40/66/28/709406628.db2.gz HPMCAADWMLXPTR-IAGOWNOFSA-N 2 2 346.475 1.655 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001034148673 709420408 /nfs/dbraw/zinc/42/04/08/709420408.db2.gz NEXUTSZFYCPFPF-MSOLQXFVSA-N 2 2 349.450 1.627 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(F)cc3)C2)C1 ZINC001034148673 709420410 /nfs/dbraw/zinc/42/04/10/709420410.db2.gz NEXUTSZFYCPFPF-MSOLQXFVSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001034148673 709420413 /nfs/dbraw/zinc/42/04/13/709420413.db2.gz NEXUTSZFYCPFPF-MSOLQXFVSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001034148673 709420415 /nfs/dbraw/zinc/42/04/15/709420415.db2.gz NEXUTSZFYCPFPF-MSOLQXFVSA-N 2 2 349.450 1.627 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)[nH]1 ZINC001002832127 709443130 /nfs/dbraw/zinc/44/31/30/709443130.db2.gz KCSAFEULKKEHTI-BLLLJJGKSA-N 2 2 346.479 1.097 20 0 EDADLP Cc1nonc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034209281 709558732 /nfs/dbraw/zinc/55/87/32/709558732.db2.gz ZULJBAHPIFHTCB-HOTGVXAUSA-N 2 2 347.463 1.191 20 0 EDADLP Cc1nonc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034209281 709558735 /nfs/dbraw/zinc/55/87/35/709558735.db2.gz ZULJBAHPIFHTCB-HOTGVXAUSA-N 2 2 347.463 1.191 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](Cc2cscn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034209611 709559633 /nfs/dbraw/zinc/55/96/33/709559633.db2.gz BZAAHCMZFGXDTJ-RDJZCZTQSA-N 2 2 348.516 1.956 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](Cc2cscn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034209611 709559634 /nfs/dbraw/zinc/55/96/34/709559634.db2.gz BZAAHCMZFGXDTJ-RDJZCZTQSA-N 2 2 348.516 1.956 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2nccs2)C1 ZINC001034311185 709755127 /nfs/dbraw/zinc/75/51/27/709755127.db2.gz FJRAMOYWFKBITK-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2nccs2)C1 ZINC001034311185 709755131 /nfs/dbraw/zinc/75/51/31/709755131.db2.gz FJRAMOYWFKBITK-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP CCn1cc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001034378928 709900761 /nfs/dbraw/zinc/90/07/61/709900761.db2.gz YEAQCFDIQMIPOX-INIZCTEOSA-N 2 2 348.495 1.111 20 0 EDADLP CCn1cc(C[N@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001034378928 709900764 /nfs/dbraw/zinc/90/07/64/709900764.db2.gz YEAQCFDIQMIPOX-INIZCTEOSA-N 2 2 348.495 1.111 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034393628 709927509 /nfs/dbraw/zinc/92/75/09/709927509.db2.gz FSFONOGSGPFKKM-GJZGRUSLSA-N 2 2 336.505 1.956 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccns3)C2)C1 ZINC001034393628 709927512 /nfs/dbraw/zinc/92/75/12/709927512.db2.gz FSFONOGSGPFKKM-GJZGRUSLSA-N 2 2 336.505 1.956 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3ccns3)C2)C1 ZINC001034393628 709927514 /nfs/dbraw/zinc/92/75/14/709927514.db2.gz FSFONOGSGPFKKM-GJZGRUSLSA-N 2 2 336.505 1.956 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@@H+](Cc3ccns3)C2)C1 ZINC001034393628 709927516 /nfs/dbraw/zinc/92/75/16/709927516.db2.gz FSFONOGSGPFKKM-GJZGRUSLSA-N 2 2 336.505 1.956 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001034396739 709935580 /nfs/dbraw/zinc/93/55/80/709935580.db2.gz HFXAVTYZZYOMNL-WBVHZDCISA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001034396739 709935584 /nfs/dbraw/zinc/93/55/84/709935584.db2.gz HFXAVTYZZYOMNL-WBVHZDCISA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001034396739 709935591 /nfs/dbraw/zinc/93/55/91/709935591.db2.gz HFXAVTYZZYOMNL-WBVHZDCISA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001034396739 709935594 /nfs/dbraw/zinc/93/55/94/709935594.db2.gz HFXAVTYZZYOMNL-WBVHZDCISA-N 2 2 345.491 1.598 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034481819 710097032 /nfs/dbraw/zinc/09/70/32/710097032.db2.gz WUBNDAYJUMKUNI-HOTGVXAUSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034481819 710097037 /nfs/dbraw/zinc/09/70/37/710097037.db2.gz WUBNDAYJUMKUNI-HOTGVXAUSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034481819 710097045 /nfs/dbraw/zinc/09/70/45/710097045.db2.gz WUBNDAYJUMKUNI-HOTGVXAUSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034481819 710097049 /nfs/dbraw/zinc/09/70/49/710097049.db2.gz WUBNDAYJUMKUNI-HOTGVXAUSA-N 2 2 338.496 1.097 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034490620 710109181 /nfs/dbraw/zinc/10/91/81/710109181.db2.gz MIKQEWYNUZXHMR-HZPDHXFCSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001034490620 710109184 /nfs/dbraw/zinc/10/91/84/710109184.db2.gz MIKQEWYNUZXHMR-HZPDHXFCSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034490620 710109185 /nfs/dbraw/zinc/10/91/85/710109185.db2.gz MIKQEWYNUZXHMR-HZPDHXFCSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034490620 710109188 /nfs/dbraw/zinc/10/91/88/710109188.db2.gz MIKQEWYNUZXHMR-HZPDHXFCSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1ccncc1C[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034487048 710134313 /nfs/dbraw/zinc/13/43/13/710134313.db2.gz DLAFIAPGYISLPW-QGZVFWFLSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034487048 710134316 /nfs/dbraw/zinc/13/43/16/710134316.db2.gz DLAFIAPGYISLPW-QGZVFWFLSA-N 2 2 341.459 1.837 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+](Cc2ncccn2)C1)C12CC[NH+](CC1)C2 ZINC001034488672 710137965 /nfs/dbraw/zinc/13/79/65/710137965.db2.gz XFPFEVPBZVDDQW-HNNXBMFYSA-N 2 2 329.448 1.043 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+](Cc2ncccn2)C1)C12CC[NH+](CC1)C2 ZINC001034488672 710137966 /nfs/dbraw/zinc/13/79/66/710137966.db2.gz XFPFEVPBZVDDQW-HNNXBMFYSA-N 2 2 329.448 1.043 20 0 EDADLP Cc1noc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034489284 710138682 /nfs/dbraw/zinc/13/86/82/710138682.db2.gz BBBKREWNPHTVGT-HIFRSBDPSA-N 2 2 347.463 1.506 20 0 EDADLP Cc1noc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001034489284 710138687 /nfs/dbraw/zinc/13/86/87/710138687.db2.gz BBBKREWNPHTVGT-HIFRSBDPSA-N 2 2 347.463 1.506 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525244 710174591 /nfs/dbraw/zinc/17/45/91/710174591.db2.gz KSZCJRQVGMWYAN-HOTGVXAUSA-N 2 2 346.475 1.974 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525244 710174594 /nfs/dbraw/zinc/17/45/94/710174594.db2.gz KSZCJRQVGMWYAN-HOTGVXAUSA-N 2 2 346.475 1.974 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525244 710174598 /nfs/dbraw/zinc/17/45/98/710174598.db2.gz KSZCJRQVGMWYAN-HOTGVXAUSA-N 2 2 346.475 1.974 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ncc(C4CC4)o3)C2)C1 ZINC001034525244 710174601 /nfs/dbraw/zinc/17/46/01/710174601.db2.gz KSZCJRQVGMWYAN-HOTGVXAUSA-N 2 2 346.475 1.974 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034527720 710180768 /nfs/dbraw/zinc/18/07/68/710180768.db2.gz GHTMIDKCQUPKKP-MRXNPFEDSA-N 2 2 331.464 1.352 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034527720 710180769 /nfs/dbraw/zinc/18/07/69/710180769.db2.gz GHTMIDKCQUPKKP-MRXNPFEDSA-N 2 2 331.464 1.352 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)c(C)o1 ZINC001034529603 710184828 /nfs/dbraw/zinc/18/48/28/710184828.db2.gz KGZCHLUYTZUJIA-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)c(C)o1 ZINC001034529603 710184830 /nfs/dbraw/zinc/18/48/30/710184830.db2.gz KGZCHLUYTZUJIA-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001034546744 710220323 /nfs/dbraw/zinc/22/03/23/710220323.db2.gz JQUFYCCRLKBOKZ-DLBZAZTESA-N 2 2 334.464 1.671 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001034546744 710220325 /nfs/dbraw/zinc/22/03/25/710220325.db2.gz JQUFYCCRLKBOKZ-DLBZAZTESA-N 2 2 334.464 1.671 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032839776 710282421 /nfs/dbraw/zinc/28/24/21/710282421.db2.gz ZNHWJMRLRYCYDU-FGTMMUONSA-N 2 2 349.450 1.534 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032839776 710282425 /nfs/dbraw/zinc/28/24/25/710282425.db2.gz ZNHWJMRLRYCYDU-FGTMMUONSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032839776 710282428 /nfs/dbraw/zinc/28/24/28/710282428.db2.gz ZNHWJMRLRYCYDU-FGTMMUONSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032839776 710282431 /nfs/dbraw/zinc/28/24/31/710282431.db2.gz ZNHWJMRLRYCYDU-FGTMMUONSA-N 2 2 349.450 1.534 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001003627479 710457450 /nfs/dbraw/zinc/45/74/50/710457450.db2.gz FCJLQIHBVSORBH-LSDHHAIUSA-N 2 2 331.464 1.603 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003627479 710457452 /nfs/dbraw/zinc/45/74/52/710457452.db2.gz FCJLQIHBVSORBH-LSDHHAIUSA-N 2 2 331.464 1.603 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003701493 710495122 /nfs/dbraw/zinc/49/51/22/710495122.db2.gz PSGVGZNSPOMALK-UHFFFAOYSA-N 2 2 328.416 1.225 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nc(C)no2)CC1 ZINC001034693036 710783701 /nfs/dbraw/zinc/78/37/01/710783701.db2.gz SQCZOKPYJMMCCU-BPLDGKMQSA-N 2 2 346.435 1.661 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001034701079 710804608 /nfs/dbraw/zinc/80/46/08/710804608.db2.gz PYZCUCLALVEEJY-FHWLQOOXSA-N 2 2 349.519 1.914 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001034701079 710804612 /nfs/dbraw/zinc/80/46/12/710804612.db2.gz PYZCUCLALVEEJY-FHWLQOOXSA-N 2 2 349.519 1.914 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)ccn1 ZINC001034743798 710946092 /nfs/dbraw/zinc/94/60/92/710946092.db2.gz AEMIDEYQSBHTDH-SHTZXODSSA-N 2 2 343.431 1.573 20 0 EDADLP Cc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)nc(C2CC2)[nH+]1 ZINC001061364986 711121202 /nfs/dbraw/zinc/12/12/02/711121202.db2.gz WCKSUGHDGNUTIH-CVEARBPZSA-N 2 2 343.475 1.699 20 0 EDADLP Cc1cc(N2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)nc(C2CC2)[nH+]1 ZINC001061364986 711121206 /nfs/dbraw/zinc/12/12/06/711121206.db2.gz WCKSUGHDGNUTIH-CVEARBPZSA-N 2 2 343.475 1.699 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001034799583 711135963 /nfs/dbraw/zinc/13/59/63/711135963.db2.gz LJECHZOSVJYDAH-SHTZXODSSA-N 2 2 343.431 1.504 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC001034800968 711140350 /nfs/dbraw/zinc/14/03/50/711140350.db2.gz AMXKVQLGLMHFTA-SHTZXODSSA-N 2 2 343.431 1.966 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001034890716 711346565 /nfs/dbraw/zinc/34/65/65/711346565.db2.gz GFRDWPDMGFEZIP-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001034890716 711346568 /nfs/dbraw/zinc/34/65/68/711346568.db2.gz GFRDWPDMGFEZIP-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)cc1F ZINC001034891580 711347732 /nfs/dbraw/zinc/34/77/32/711347732.db2.gz XBFGGHXAJKQVKX-SJLPKXTDSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)cc1F ZINC001034891580 711347734 /nfs/dbraw/zinc/34/77/34/711347734.db2.gz XBFGGHXAJKQVKX-SJLPKXTDSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)nn1C ZINC001034919727 711376784 /nfs/dbraw/zinc/37/67/84/711376784.db2.gz CPWDQXXHGZOGJX-OAHLLOKOSA-N 2 2 330.436 1.165 20 0 EDADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001034942353 711395157 /nfs/dbraw/zinc/39/51/57/711395157.db2.gz VLAWUARFLHWUDK-HUUCEWRRSA-N 2 2 347.463 1.054 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001034957046 711427708 /nfs/dbraw/zinc/42/77/08/711427708.db2.gz WXOTWFZKXDLWDS-MRXNPFEDSA-N 2 2 330.436 1.165 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001034957046 711427710 /nfs/dbraw/zinc/42/77/10/711427710.db2.gz WXOTWFZKXDLWDS-MRXNPFEDSA-N 2 2 330.436 1.165 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922398278 711474659 /nfs/dbraw/zinc/47/46/59/711474659.db2.gz UROXHLILYVAFJO-HUUCEWRRSA-N 2 2 349.504 1.598 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922398278 711474660 /nfs/dbraw/zinc/47/46/60/711474660.db2.gz UROXHLILYVAFJO-HUUCEWRRSA-N 2 2 349.504 1.598 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001004578579 712009682 /nfs/dbraw/zinc/00/96/82/712009682.db2.gz WKGPVOFTGLBABJ-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001004578579 712009684 /nfs/dbraw/zinc/00/96/84/712009684.db2.gz WKGPVOFTGLBABJ-QGZVFWFLSA-N 2 2 337.508 1.820 20 0 EDADLP CNS(=O)(=O)CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000187201036 530017665 /nfs/dbraw/zinc/01/76/65/530017665.db2.gz QAODMXGJPWZGHM-UHFFFAOYSA-N 2 2 345.896 1.443 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433336781 539558378 /nfs/dbraw/zinc/55/83/78/539558378.db2.gz QOHXNZAIMUFQQB-UHFFFAOYSA-N 2 2 345.447 1.702 20 0 EDADLP CCn1cnnc1-c1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000560975040 306281326 /nfs/dbraw/zinc/28/13/26/306281326.db2.gz FSADWQRBFQHHPE-ZDUSSCGKSA-N 2 2 343.435 1.072 20 0 EDADLP CCn1cnnc1-c1ccccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000560975040 306281327 /nfs/dbraw/zinc/28/13/27/306281327.db2.gz FSADWQRBFQHHPE-ZDUSSCGKSA-N 2 2 343.435 1.072 20 0 EDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000332818836 539605403 /nfs/dbraw/zinc/60/54/03/539605403.db2.gz ADHXWDDCPIXJEE-JKSUJKDBSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000332818836 539605407 /nfs/dbraw/zinc/60/54/07/539605407.db2.gz ADHXWDDCPIXJEE-JKSUJKDBSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000332818836 539605409 /nfs/dbraw/zinc/60/54/09/539605409.db2.gz ADHXWDDCPIXJEE-JKSUJKDBSA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000332818836 539605413 /nfs/dbraw/zinc/60/54/13/539605413.db2.gz ADHXWDDCPIXJEE-JKSUJKDBSA-N 2 2 339.528 1.042 20 0 EDADLP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000561169314 306283700 /nfs/dbraw/zinc/28/37/00/306283700.db2.gz RXQNFLZNVTXDFT-VXGBXAGGSA-N 2 2 332.370 1.914 20 0 EDADLP CC[N@H+]1CC[C@H](CNC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000561169314 306283701 /nfs/dbraw/zinc/28/37/01/306283701.db2.gz RXQNFLZNVTXDFT-VXGBXAGGSA-N 2 2 332.370 1.914 20 0 EDADLP C[NH+]1CCN([C@@H](CNC(=O)Cn2cc[nH+]c2)c2cccs2)CC1 ZINC000562273453 306293886 /nfs/dbraw/zinc/29/38/86/306293886.db2.gz BDFHFWARBSZPQM-AWEZNQCLSA-N 2 2 333.461 1.050 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000562441644 306298685 /nfs/dbraw/zinc/29/86/85/306298685.db2.gz CNCICXTXLKKBJH-RBUKOAKNSA-N 2 2 335.492 1.526 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000562441644 306298686 /nfs/dbraw/zinc/29/86/86/306298686.db2.gz CNCICXTXLKKBJH-RBUKOAKNSA-N 2 2 335.492 1.526 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000562441644 306298687 /nfs/dbraw/zinc/29/86/87/306298687.db2.gz CNCICXTXLKKBJH-RBUKOAKNSA-N 2 2 335.492 1.526 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000562441644 306298688 /nfs/dbraw/zinc/29/86/88/306298688.db2.gz CNCICXTXLKKBJH-RBUKOAKNSA-N 2 2 335.492 1.526 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000562659283 306305259 /nfs/dbraw/zinc/30/52/59/306305259.db2.gz MFPBONJZUPTVLM-SJORKVTESA-N 2 2 340.512 1.469 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000562659283 306305260 /nfs/dbraw/zinc/30/52/60/306305260.db2.gz MFPBONJZUPTVLM-SJORKVTESA-N 2 2 340.512 1.469 20 0 EDADLP CCc1nnc(N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)n1CC ZINC000562937800 306312862 /nfs/dbraw/zinc/31/28/62/306312862.db2.gz BUSQYCNXADUKBR-UHFFFAOYSA-N 2 2 334.512 1.857 20 0 EDADLP CCc1nnc(N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)n1CC ZINC000562937800 306312863 /nfs/dbraw/zinc/31/28/63/306312863.db2.gz BUSQYCNXADUKBR-UHFFFAOYSA-N 2 2 334.512 1.857 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@H]3CCc4nnnn4CC3)C2)cc1 ZINC000562940035 306313047 /nfs/dbraw/zinc/31/30/47/306313047.db2.gz NLIHIAUCIQLGHN-IRXDYDNUSA-N 2 2 326.448 1.285 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@H]3CCc4nnnn4CC3)C2)cc1 ZINC000562940035 306313048 /nfs/dbraw/zinc/31/30/48/306313048.db2.gz NLIHIAUCIQLGHN-IRXDYDNUSA-N 2 2 326.448 1.285 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)c2ccnc(OCC[NH+](C)C)c2)c2[nH+]ccn21 ZINC000562938719 306313058 /nfs/dbraw/zinc/31/30/58/306313058.db2.gz PJCSHCJEDBONNP-GXTWGEPZSA-N 2 2 329.404 1.654 20 0 EDADLP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000563089521 306318480 /nfs/dbraw/zinc/31/84/80/306318480.db2.gz JAIMTRCIKRFKER-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000563089521 306318481 /nfs/dbraw/zinc/31/84/81/306318481.db2.gz JAIMTRCIKRFKER-OAHLLOKOSA-N 2 2 328.420 1.551 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166114529 540075644 /nfs/dbraw/zinc/07/56/44/540075644.db2.gz DMAYSUGEVZDANV-QZTJIDSGSA-N 3 2 344.507 1.205 20 0 EDADLP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166114529 540075646 /nfs/dbraw/zinc/07/56/46/540075646.db2.gz DMAYSUGEVZDANV-QZTJIDSGSA-N 3 2 344.507 1.205 20 0 EDADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647177430 452106340 /nfs/dbraw/zinc/10/63/40/452106340.db2.gz ZCLHSIMKEBYTTB-GFCCVEGCSA-N 2 2 329.441 1.295 20 0 EDADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647177430 452106352 /nfs/dbraw/zinc/10/63/52/452106352.db2.gz ZCLHSIMKEBYTTB-GFCCVEGCSA-N 2 2 329.441 1.295 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000563306722 306326902 /nfs/dbraw/zinc/32/69/02/306326902.db2.gz PVXZBKBDRAORHG-UHFFFAOYSA-N 2 2 331.464 1.110 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000563306722 306326903 /nfs/dbraw/zinc/32/69/03/306326903.db2.gz PVXZBKBDRAORHG-UHFFFAOYSA-N 2 2 331.464 1.110 20 0 EDADLP C[C@H](NC(=O)[C@H]1CC[NH2+]CC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000342716176 299234060 /nfs/dbraw/zinc/23/40/60/299234060.db2.gz UXPAYIKWNZRAJD-UONOGXRCSA-N 2 2 345.434 1.381 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000563443338 306333432 /nfs/dbraw/zinc/33/34/32/306333432.db2.gz FIDVCDPIQBJUJN-UHFFFAOYSA-N 2 2 329.404 1.111 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000563443338 306333433 /nfs/dbraw/zinc/33/34/33/306333433.db2.gz FIDVCDPIQBJUJN-UHFFFAOYSA-N 2 2 329.404 1.111 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000073659965 138220087 /nfs/dbraw/zinc/22/00/87/138220087.db2.gz FRWGRYBKEKFNFT-DLBZAZTESA-N 2 2 338.496 1.225 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000073659965 138220088 /nfs/dbraw/zinc/22/00/88/138220088.db2.gz FRWGRYBKEKFNFT-DLBZAZTESA-N 2 2 338.496 1.225 20 0 EDADLP CC[C@@H](C)Oc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccn1 ZINC000563584895 306340020 /nfs/dbraw/zinc/34/00/20/306340020.db2.gz SYKMTJZSLPSCGT-UKRRQHHQSA-N 2 2 335.452 1.043 20 0 EDADLP CC[C@@H](C)Oc1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccn1 ZINC000563584895 306340021 /nfs/dbraw/zinc/34/00/21/306340021.db2.gz SYKMTJZSLPSCGT-UKRRQHHQSA-N 2 2 335.452 1.043 20 0 EDADLP Cc1ccc2c(CCNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])cn(C)c2c1 ZINC000563594856 306340731 /nfs/dbraw/zinc/34/07/31/306340731.db2.gz DLQWDAGOBPJNOT-INIZCTEOSA-N 2 2 343.475 1.314 20 0 EDADLP Cc1ccc2c(CCNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])cn(C)c2c1 ZINC000563594856 306340732 /nfs/dbraw/zinc/34/07/32/306340732.db2.gz DLQWDAGOBPJNOT-INIZCTEOSA-N 2 2 343.475 1.314 20 0 EDADLP C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH+]1CCSCC1 ZINC000125047478 138331756 /nfs/dbraw/zinc/33/17/56/138331756.db2.gz DOKYLRBQFNJSTF-CQSZACIVSA-N 2 2 334.489 1.604 20 0 EDADLP COC(=O)CCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000131294889 138356600 /nfs/dbraw/zinc/35/66/00/138356600.db2.gz OQZLUSZXUPRPFD-UHFFFAOYSA-N 2 2 339.480 1.396 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)[C@@H](C)[NH+]3CCSCC3)CC2)[nH+]1 ZINC000132206000 138372786 /nfs/dbraw/zinc/37/27/86/138372786.db2.gz SJVKTLJLGARGNF-OAHLLOKOSA-N 2 2 348.516 1.912 20 0 EDADLP COC1CCC(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564321744 306358275 /nfs/dbraw/zinc/35/82/75/306358275.db2.gz KVCKMVNEOXTKSW-MTCSXPRVSA-N 2 2 328.497 1.641 20 0 EDADLP COC1CCC(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564321744 306358276 /nfs/dbraw/zinc/35/82/76/306358276.db2.gz KVCKMVNEOXTKSW-MTCSXPRVSA-N 2 2 328.497 1.641 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])CCCC2)no1 ZINC000565028033 306372993 /nfs/dbraw/zinc/37/29/93/306372993.db2.gz FJFYPYSBUASICY-ZIAGYGMSSA-N 2 2 349.479 1.924 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3CCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000565293426 306380839 /nfs/dbraw/zinc/38/08/39/306380839.db2.gz AHUINZBAKYNDCV-IIAWOOMASA-N 2 2 347.463 1.246 20 0 EDADLP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000414068268 304099550 /nfs/dbraw/zinc/09/95/50/304099550.db2.gz QTNJFXFYMZCJPK-KRWDZBQOSA-N 2 2 327.476 1.889 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(CN(C(=O)C[NH+](C)C)C2CC2)cc1 ZINC000131494962 223239190 /nfs/dbraw/zinc/23/91/90/223239190.db2.gz CFWHUIHKFZWXLB-UHFFFAOYSA-N 2 2 332.448 1.239 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274849629 201271484 /nfs/dbraw/zinc/27/14/84/201271484.db2.gz QUPZWXIMTOOAES-OFQRWUPVSA-N 2 2 332.448 1.331 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274849629 201271488 /nfs/dbraw/zinc/27/14/88/201271488.db2.gz QUPZWXIMTOOAES-OFQRWUPVSA-N 2 2 332.448 1.331 20 0 EDADLP CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000275577355 201284866 /nfs/dbraw/zinc/28/48/66/201284866.db2.gz OTVZAFBLHIOCGS-HNNXBMFYSA-N 2 2 338.415 1.728 20 0 EDADLP CNC(=O)c1ccn([C@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)n1 ZINC000275577355 201284869 /nfs/dbraw/zinc/28/48/69/201284869.db2.gz OTVZAFBLHIOCGS-HNNXBMFYSA-N 2 2 338.415 1.728 20 0 EDADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000565895074 306394357 /nfs/dbraw/zinc/39/43/57/306394357.db2.gz PCVLDDKHBGEKQC-GHMZBOCLSA-N 2 2 341.253 1.842 20 0 EDADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000565895074 306394358 /nfs/dbraw/zinc/39/43/58/306394358.db2.gz PCVLDDKHBGEKQC-GHMZBOCLSA-N 2 2 341.253 1.842 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000566017597 306396797 /nfs/dbraw/zinc/39/67/97/306396797.db2.gz DTZLUOALOMDXDI-WBVHZDCISA-N 2 2 325.497 1.270 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000566017597 306396798 /nfs/dbraw/zinc/39/67/98/306396798.db2.gz DTZLUOALOMDXDI-WBVHZDCISA-N 2 2 325.497 1.270 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CO1 ZINC000566166455 306401213 /nfs/dbraw/zinc/40/12/13/306401213.db2.gz AFKZKVJUFCHJGL-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@H]1CCCO1 ZINC000345311112 299356896 /nfs/dbraw/zinc/35/68/96/299356896.db2.gz YRPUZMVPCQQMQA-IYPIGGPWSA-N 2 2 332.448 1.772 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000566292007 306407302 /nfs/dbraw/zinc/40/73/02/306407302.db2.gz MRJUMADPSRWDKU-AWEZNQCLSA-N 2 2 325.416 1.626 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000414694632 304128586 /nfs/dbraw/zinc/12/85/86/304128586.db2.gz NGBFLZYHNURSCA-ZWKOTPCHSA-N 2 2 326.529 1.087 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000414731428 304134043 /nfs/dbraw/zinc/13/40/43/304134043.db2.gz BUDNBIZCWKSARL-HKUYNNGSSA-N 2 2 344.503 1.783 20 0 EDADLP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415098251 304159784 /nfs/dbraw/zinc/15/97/84/304159784.db2.gz VHUGJDPSHOTCHK-CABCVRRESA-N 2 2 345.443 1.419 20 0 EDADLP CN(c1ccccc1C[NH2+]C[C@H]1C[NH2+]CCO1)C1CC[NH+](C)CC1 ZINC000415099400 304159934 /nfs/dbraw/zinc/15/99/34/304159934.db2.gz YELHNVUNESLZJK-GOSISDBHSA-N 3 2 332.492 1.295 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000104718838 204115933 /nfs/dbraw/zinc/11/59/33/204115933.db2.gz NUINHVKHGGOSNY-HZPDHXFCSA-N 2 2 346.475 1.717 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000104719059 204116560 /nfs/dbraw/zinc/11/65/60/204116560.db2.gz MBROBVZWMGFBCV-CQSZACIVSA-N 2 2 332.448 1.660 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104717135 204116697 /nfs/dbraw/zinc/11/66/97/204116697.db2.gz JHFNQQNVGBNSNS-CABCVRRESA-N 2 2 334.464 1.906 20 0 EDADLP COC(=O)c1coc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000111231000 204342612 /nfs/dbraw/zinc/34/26/12/204342612.db2.gz VMKDHOATXKMBPR-INIZCTEOSA-N 2 2 335.448 1.668 20 0 EDADLP COC(=O)c1coc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000111231000 204342617 /nfs/dbraw/zinc/34/26/17/204342617.db2.gz VMKDHOATXKMBPR-INIZCTEOSA-N 2 2 335.448 1.668 20 0 EDADLP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236695888 139028996 /nfs/dbraw/zinc/02/89/96/139028996.db2.gz GABBVIARGSDPMX-PKOBYXMFSA-N 2 2 333.476 1.767 20 0 EDADLP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236695888 139028997 /nfs/dbraw/zinc/02/89/97/139028997.db2.gz GABBVIARGSDPMX-PKOBYXMFSA-N 2 2 333.476 1.767 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[NH+]1CCCC1 ZINC000237201787 139043823 /nfs/dbraw/zinc/04/38/23/139043823.db2.gz OAZWJVZZNDTEBO-LSDHHAIUSA-N 2 2 335.473 1.611 20 0 EDADLP CN(C[C@@H]1CCCO1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237229978 139045108 /nfs/dbraw/zinc/04/51/08/139045108.db2.gz XMPRNFUGODEMPH-ROUUACIJSA-N 2 2 342.443 1.439 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000115572226 205125106 /nfs/dbraw/zinc/12/51/06/205125106.db2.gz VOPSLYSHROPTAR-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000115572226 205125111 /nfs/dbraw/zinc/12/51/11/205125111.db2.gz VOPSLYSHROPTAR-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000567571559 306455270 /nfs/dbraw/zinc/45/52/70/306455270.db2.gz NUOPYPUUQOEKLV-HNNXBMFYSA-N 2 2 329.448 1.954 20 0 EDADLP O=C(C[NH+]1CCC(NC(=O)C2CC[NH2+]CC2)CC1)Nc1ccccc1 ZINC000238126603 139069339 /nfs/dbraw/zinc/06/93/39/139069339.db2.gz PVADUCCCUXPAKG-UHFFFAOYSA-N 2 2 344.459 1.205 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245627529 139081419 /nfs/dbraw/zinc/08/14/19/139081419.db2.gz PEWNGLQARYUMEY-BZUAXINKSA-N 2 2 342.447 1.695 20 0 EDADLP C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245627529 139081420 /nfs/dbraw/zinc/08/14/20/139081420.db2.gz PEWNGLQARYUMEY-BZUAXINKSA-N 2 2 342.447 1.695 20 0 EDADLP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000415263404 304181157 /nfs/dbraw/zinc/18/11/57/304181157.db2.gz AUPYWJYFLSQFGP-ZDUSSCGKSA-N 2 2 340.383 1.762 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156498397 206083168 /nfs/dbraw/zinc/08/31/68/206083168.db2.gz KBEODHHRWGLFAT-IHRRRGAJSA-N 2 2 335.452 1.779 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156498397 206083171 /nfs/dbraw/zinc/08/31/71/206083171.db2.gz KBEODHHRWGLFAT-IHRRRGAJSA-N 2 2 335.452 1.779 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159266430 206234101 /nfs/dbraw/zinc/23/41/01/206234101.db2.gz VTXBQVRVRLDLFP-SFHVURJKSA-N 2 2 347.507 1.885 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000246357141 139105140 /nfs/dbraw/zinc/10/51/40/139105140.db2.gz IFAAKUHFPOOFGQ-SYQHCUMBSA-N 2 2 346.518 1.201 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000246357141 139105141 /nfs/dbraw/zinc/10/51/41/139105141.db2.gz IFAAKUHFPOOFGQ-SYQHCUMBSA-N 2 2 346.518 1.201 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000415299133 304188628 /nfs/dbraw/zinc/18/86/28/304188628.db2.gz HOLBNNLFJNMOAH-ZFWWWQNUSA-N 2 2 333.436 1.476 20 0 EDADLP c1nc(N2CCC[C@@H]([NH2+][C@H]3CCSC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000246517045 139111630 /nfs/dbraw/zinc/11/16/30/139111630.db2.gz UKZKPDOXHPQEPV-CABCVRRESA-N 2 2 349.504 1.377 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000246777620 139121226 /nfs/dbraw/zinc/12/12/26/139121226.db2.gz IHRDPYDZMANXIL-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000246777620 139121227 /nfs/dbraw/zinc/12/12/27/139121227.db2.gz IHRDPYDZMANXIL-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000246777620 139121228 /nfs/dbraw/zinc/12/12/28/139121228.db2.gz IHRDPYDZMANXIL-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC(=O)NCc3ccccc3)CC[C@H]21 ZINC000246777620 139121229 /nfs/dbraw/zinc/12/12/29/139121229.db2.gz IHRDPYDZMANXIL-IAGOWNOFSA-N 2 2 344.459 1.429 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC000246936213 139127670 /nfs/dbraw/zinc/12/76/70/139127670.db2.gz XFDARKIZOXNSSM-DZGCQCFKSA-N 2 2 332.452 1.912 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](Nc2[nH+]cnc3c2cnn3C)[C@@H](C)C1 ZINC000246936213 139127671 /nfs/dbraw/zinc/12/76/71/139127671.db2.gz XFDARKIZOXNSSM-DZGCQCFKSA-N 2 2 332.452 1.912 20 0 EDADLP CC(C)[C@@H](CCO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000161885898 206376102 /nfs/dbraw/zinc/37/61/02/206376102.db2.gz NTOYBHQXCTXLNX-MRXNPFEDSA-N 2 2 334.464 1.117 20 0 EDADLP CC[C@H](C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000162199081 206389212 /nfs/dbraw/zinc/38/92/12/206389212.db2.gz PUUOMHVAXNAZMU-MRXNPFEDSA-N 2 2 332.448 1.353 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)[C@H](C)C1 ZINC000247136400 139137282 /nfs/dbraw/zinc/13/72/82/139137282.db2.gz RXYFTUBGVVSZTM-BPQIPLTHSA-N 2 2 333.476 1.940 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)[C@H](C)C1 ZINC000247136400 139137283 /nfs/dbraw/zinc/13/72/83/139137283.db2.gz RXYFTUBGVVSZTM-BPQIPLTHSA-N 2 2 333.476 1.940 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCO[C@H](C)[C@H]3C)CC2)c1 ZINC000247934554 139155875 /nfs/dbraw/zinc/15/58/75/139155875.db2.gz CJJUDSCLMIFUKM-QZTJIDSGSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCO[C@H](C)[C@H]3C)CC2)c1 ZINC000247934554 139155876 /nfs/dbraw/zinc/15/58/76/139155876.db2.gz CJJUDSCLMIFUKM-QZTJIDSGSA-N 2 2 345.487 1.748 20 0 EDADLP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000333551246 296279950 /nfs/dbraw/zinc/27/99/50/296279950.db2.gz JLVSLPJBLIXSLB-JSGCOSHPSA-N 2 2 329.408 1.293 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@]34CCOC4=O)c2cc1C ZINC000249550616 139195416 /nfs/dbraw/zinc/19/54/16/139195416.db2.gz HVCMPGYUBVDUBK-DNVCBOLYSA-N 2 2 343.427 1.796 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@]34CCOC4=O)c2cc1C ZINC000249550616 139195417 /nfs/dbraw/zinc/19/54/17/139195417.db2.gz HVCMPGYUBVDUBK-DNVCBOLYSA-N 2 2 343.427 1.796 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[N@H+](CC[NH3+])Cc2ccccc2)C1 ZINC000261547131 139208803 /nfs/dbraw/zinc/20/88/03/139208803.db2.gz LWQUMJFVEPCEDG-MRXNPFEDSA-N 2 2 325.478 1.119 20 0 EDADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+](CC[NH3+])Cc2ccccc2)C1 ZINC000261547131 139208804 /nfs/dbraw/zinc/20/88/04/139208804.db2.gz LWQUMJFVEPCEDG-MRXNPFEDSA-N 2 2 325.478 1.119 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3CCC([NH2+]CC4CC4)CC3)nc12 ZINC000261727049 139221058 /nfs/dbraw/zinc/22/10/58/139221058.db2.gz RGUWLWFIZMSVHC-UHFFFAOYSA-N 2 2 326.444 1.967 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000261734010 139221811 /nfs/dbraw/zinc/22/18/11/139221811.db2.gz RZANPFCXQUCANC-INIZCTEOSA-N 2 2 331.460 1.525 20 0 EDADLP Cc1cc(N2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000261792843 139226425 /nfs/dbraw/zinc/22/64/25/139226425.db2.gz CYIFEQGPUSUYQN-MRXNPFEDSA-N 2 2 345.491 1.947 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000261802628 139227387 /nfs/dbraw/zinc/22/73/87/139227387.db2.gz WBNFWPBAXVYRLO-GOSISDBHSA-N 2 2 345.422 1.929 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)n(-c2ccc(F)cc2)n1 ZINC000261802628 139227388 /nfs/dbraw/zinc/22/73/88/139227388.db2.gz WBNFWPBAXVYRLO-GOSISDBHSA-N 2 2 345.422 1.929 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261943889 139239065 /nfs/dbraw/zinc/23/90/65/139239065.db2.gz NBHKEVVFYGWYJX-HOTGVXAUSA-N 2 2 348.466 1.770 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940240 139238858 /nfs/dbraw/zinc/23/88/58/139238858.db2.gz LCTRDKDFWVBYQZ-ZFWWWQNUSA-N 2 2 325.478 1.496 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940240 139238859 /nfs/dbraw/zinc/23/88/59/139238859.db2.gz LCTRDKDFWVBYQZ-ZFWWWQNUSA-N 2 2 325.478 1.496 20 0 EDADLP C[C@@]1(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000261991717 139242264 /nfs/dbraw/zinc/24/22/64/139242264.db2.gz KJBXPIFOBAIZRZ-QGZVFWFLSA-N 2 2 337.489 1.383 20 0 EDADLP C[C@@]1(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000261991717 139242265 /nfs/dbraw/zinc/24/22/65/139242265.db2.gz KJBXPIFOBAIZRZ-QGZVFWFLSA-N 2 2 337.489 1.383 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000174677423 207043944 /nfs/dbraw/zinc/04/39/44/207043944.db2.gz RFMSYLSRTKLIPA-DAYGRLMNSA-N 2 2 347.459 1.565 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2C[NH+](C)CCO2)C[C@H](C)O1 ZINC000174677423 207043947 /nfs/dbraw/zinc/04/39/47/207043947.db2.gz RFMSYLSRTKLIPA-DAYGRLMNSA-N 2 2 347.459 1.565 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H](C)O1 ZINC000174677423 207043952 /nfs/dbraw/zinc/04/39/52/207043952.db2.gz RFMSYLSRTKLIPA-DAYGRLMNSA-N 2 2 347.459 1.565 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H](C)O1 ZINC000174677423 207043954 /nfs/dbraw/zinc/04/39/54/207043954.db2.gz RFMSYLSRTKLIPA-DAYGRLMNSA-N 2 2 347.459 1.565 20 0 EDADLP COC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000262214245 139260588 /nfs/dbraw/zinc/26/05/88/139260588.db2.gz FDQWUAGVDJMYPN-CVEARBPZSA-N 2 2 339.867 1.784 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000262244158 139263047 /nfs/dbraw/zinc/26/30/47/139263047.db2.gz PKKNKSWZKGUENY-GOSISDBHSA-N 2 2 340.427 1.543 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000262305867 139268627 /nfs/dbraw/zinc/26/86/27/139268627.db2.gz CGFVXURBVCTTDY-GDBMZVCRSA-N 2 2 332.379 1.143 20 0 EDADLP C[C@@H](NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000416832807 251112423 /nfs/dbraw/zinc/11/24/23/251112423.db2.gz WRBFVKWUBKURNS-YNEHKIRRSA-N 2 2 326.466 1.156 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)[NH+]2CCOCC2)c1 ZINC000417005291 251127337 /nfs/dbraw/zinc/12/73/37/251127337.db2.gz XSUCCYLOEZGDCA-SZMVWBNQSA-N 2 2 346.475 1.357 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC[NH2+]1 ZINC000262323157 139270140 /nfs/dbraw/zinc/27/01/40/139270140.db2.gz CYJVRIISJYNSTC-YTQUADARSA-N 2 2 345.487 1.434 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000175954836 207176727 /nfs/dbraw/zinc/17/67/27/207176727.db2.gz PERBYLHMICPDAG-UHFFFAOYSA-N 2 2 348.447 1.609 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC[NH2+]1 ZINC000417662523 251217711 /nfs/dbraw/zinc/21/77/11/251217711.db2.gz SDZBEALARHEGPC-RISCZKNCSA-N 2 2 326.391 1.571 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262394190 139276002 /nfs/dbraw/zinc/27/60/02/139276002.db2.gz YCQPNRZWVONEIJ-UHFFFAOYSA-N 2 2 336.399 1.786 20 0 EDADLP [NH3+][C@H](CNC(=O)NCc1[nH+]ccn1CCc1ccccc1)C1CC1 ZINC000417830885 251288427 /nfs/dbraw/zinc/28/84/27/251288427.db2.gz BQSNZMNKKNPQFL-MRXNPFEDSA-N 2 2 327.432 1.662 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[NH2+]1 ZINC000417841255 251293710 /nfs/dbraw/zinc/29/37/10/251293710.db2.gz LTPICWHEROEPLS-OAHLLOKOSA-N 2 2 327.432 1.629 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417855979 251298771 /nfs/dbraw/zinc/29/87/71/251298771.db2.gz VSAZLNASDMEZPU-WBVHZDCISA-N 2 2 341.459 1.923 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH3+])[C@H](C)C1 ZINC000418475785 251373347 /nfs/dbraw/zinc/37/33/47/251373347.db2.gz RKEJTHRWTBQQOA-HZPDHXFCSA-N 2 2 348.491 1.896 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC[C@H](C)C[NH3+])[C@H](C)C1 ZINC000418475785 251373354 /nfs/dbraw/zinc/37/33/54/251373354.db2.gz RKEJTHRWTBQQOA-HZPDHXFCSA-N 2 2 348.491 1.896 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000418473278 251373876 /nfs/dbraw/zinc/37/38/76/251373876.db2.gz XKMYHZSEXUUWGE-CRAIPNDOSA-N 2 2 346.475 1.713 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(F)(F)C[NH3+] ZINC000418527770 251375116 /nfs/dbraw/zinc/37/51/16/251375116.db2.gz UBMYMDKLOTWRFW-KBPBESRZSA-N 2 2 340.418 1.885 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC(F)(F)C[NH3+] ZINC000418527770 251375122 /nfs/dbraw/zinc/37/51/22/251375122.db2.gz UBMYMDKLOTWRFW-KBPBESRZSA-N 2 2 340.418 1.885 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418408666 251365480 /nfs/dbraw/zinc/36/54/80/251365480.db2.gz NSQAFLDUHXANKQ-AWEZNQCLSA-N 2 2 325.482 1.344 20 0 EDADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418408666 251365483 /nfs/dbraw/zinc/36/54/83/251365483.db2.gz NSQAFLDUHXANKQ-AWEZNQCLSA-N 2 2 325.482 1.344 20 0 EDADLP C[C@@H](NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000418722556 251398528 /nfs/dbraw/zinc/39/85/28/251398528.db2.gz LMHIXUYPSDQGHF-MJBXVCDLSA-N 2 2 340.493 1.499 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000418679071 251384472 /nfs/dbraw/zinc/38/44/72/251384472.db2.gz WIWNDDHVEFVKPD-ZSHCYNCHSA-N 2 2 334.851 1.385 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCc1cccnc1 ZINC000262678403 139295617 /nfs/dbraw/zinc/29/56/17/139295617.db2.gz UTVDJHPEMOFYFQ-IBGZPJMESA-N 2 2 349.438 1.555 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000177347317 207323703 /nfs/dbraw/zinc/32/37/03/207323703.db2.gz HLUVTXVNGZRVDV-AWEZNQCLSA-N 2 2 337.489 1.511 20 0 EDADLP C[C@@H](C(=O)Nc1nccs1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177378139 207327403 /nfs/dbraw/zinc/32/74/03/207327403.db2.gz LTORKSNBCUDNQY-ZDUSSCGKSA-N 2 2 339.509 1.428 20 0 EDADLP C[C@@H](C(=O)Nc1nccs1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177378139 207327408 /nfs/dbraw/zinc/32/74/08/207327408.db2.gz LTORKSNBCUDNQY-ZDUSSCGKSA-N 2 2 339.509 1.428 20 0 EDADLP C[C@@H](C(=O)Nc1nccs1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177378139 207327412 /nfs/dbraw/zinc/32/74/12/207327412.db2.gz LTORKSNBCUDNQY-ZDUSSCGKSA-N 2 2 339.509 1.428 20 0 EDADLP C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177378139 207327415 /nfs/dbraw/zinc/32/74/15/207327415.db2.gz LTORKSNBCUDNQY-ZDUSSCGKSA-N 2 2 339.509 1.428 20 0 EDADLP COC(=O)C[C@@H]1COCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420961338 251791920 /nfs/dbraw/zinc/79/19/20/251791920.db2.gz JDPNTOSYMPJZMY-GOSISDBHSA-N 2 2 348.443 1.283 20 0 EDADLP COC(=O)C[C@@H]1COCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420961338 251791922 /nfs/dbraw/zinc/79/19/22/251791922.db2.gz JDPNTOSYMPJZMY-GOSISDBHSA-N 2 2 348.443 1.283 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C[C@H](C[NH3+])OC)CC2)cc1 ZINC000262893893 139311007 /nfs/dbraw/zinc/31/10/07/139311007.db2.gz OVWKHMTXDJBOSU-QGZVFWFLSA-N 2 2 335.448 1.093 20 0 EDADLP COc1ccc([C@@H](NCC2([NH+]3CCOCC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423073333 252034458 /nfs/dbraw/zinc/03/44/58/252034458.db2.gz IOEAXHUQEGBBHO-RBUKOAKNSA-N 2 2 345.487 1.943 20 0 EDADLP COc1ccc([C@@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423073333 252034461 /nfs/dbraw/zinc/03/44/61/252034461.db2.gz IOEAXHUQEGBBHO-RBUKOAKNSA-N 2 2 345.487 1.943 20 0 EDADLP C[C@]1(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CCC[NH2+]C1 ZINC000423525292 252059803 /nfs/dbraw/zinc/05/98/03/252059803.db2.gz PGPNKFSRLMYSDP-IBGZPJMESA-N 2 2 326.444 1.980 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CC)CC[NH2+]CC1 ZINC000422912297 252019836 /nfs/dbraw/zinc/01/98/36/252019836.db2.gz VWJNHNPMDZUYDQ-CVEARBPZSA-N 3 2 325.497 1.772 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CC)CC[NH2+]CC1 ZINC000422912297 252019838 /nfs/dbraw/zinc/01/98/38/252019838.db2.gz VWJNHNPMDZUYDQ-CVEARBPZSA-N 3 2 325.497 1.772 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422910731 252020418 /nfs/dbraw/zinc/02/04/18/252020418.db2.gz RPEOUVCLPUELRO-KZNAEPCWSA-N 2 2 337.508 1.914 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422910731 252020422 /nfs/dbraw/zinc/02/04/22/252020422.db2.gz RPEOUVCLPUELRO-KZNAEPCWSA-N 2 2 337.508 1.914 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1(COC)CC[NH2+]CC1 ZINC000423873101 252102093 /nfs/dbraw/zinc/10/20/93/252102093.db2.gz KYHSIHPIEXWOMG-UHFFFAOYSA-N 2 2 336.480 1.700 20 0 EDADLP COCC[C@]1(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC[NH2+]C1 ZINC000423804568 252083142 /nfs/dbraw/zinc/08/31/42/252083142.db2.gz SJVAAJCULFSBRU-CRAIPNDOSA-N 2 2 334.464 1.217 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000424332643 252198230 /nfs/dbraw/zinc/19/82/30/252198230.db2.gz LAOSFPOGMKVFGZ-KBRIMQKVSA-N 2 2 344.459 2.000 20 0 EDADLP COCCCOc1cccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424368921 252201160 /nfs/dbraw/zinc/20/11/60/252201160.db2.gz ATBNELJROJNNSY-RBUKOAKNSA-N 2 2 344.459 1.762 20 0 EDADLP COCCCOc1cccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424368921 252201163 /nfs/dbraw/zinc/20/11/63/252201163.db2.gz ATBNELJROJNNSY-RBUKOAKNSA-N 2 2 344.459 1.762 20 0 EDADLP COc1cc(C)c(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1OC ZINC000424379301 252204239 /nfs/dbraw/zinc/20/42/39/252204239.db2.gz OJFXMBUADQDOOT-JKSUJKDBSA-N 2 2 330.432 1.672 20 0 EDADLP COc1cc(C)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1OC ZINC000424379301 252204241 /nfs/dbraw/zinc/20/42/41/252204241.db2.gz OJFXMBUADQDOOT-JKSUJKDBSA-N 2 2 330.432 1.672 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263106839 139322607 /nfs/dbraw/zinc/32/26/07/139322607.db2.gz ZXMQLBDZDFOUSG-IEBWSBKVSA-N 2 2 347.507 1.589 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000495429933 285028391 /nfs/dbraw/zinc/02/83/91/285028391.db2.gz PGTUKDSESDMRGQ-CQSZACIVSA-N 2 2 329.485 1.990 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000495429933 285028393 /nfs/dbraw/zinc/02/83/93/285028393.db2.gz PGTUKDSESDMRGQ-CQSZACIVSA-N 2 2 329.485 1.990 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000246953426 285193521 /nfs/dbraw/zinc/19/35/21/285193521.db2.gz PGIJRMKURDFMQX-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000246953426 285193522 /nfs/dbraw/zinc/19/35/22/285193522.db2.gz PGIJRMKURDFMQX-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccco1 ZINC000263743480 139357328 /nfs/dbraw/zinc/35/73/28/139357328.db2.gz IPDPZDBIXDHZJF-CQSZACIVSA-N 2 2 331.420 1.915 20 0 EDADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@@H](C)C1 ZINC000488816611 255056154 /nfs/dbraw/zinc/05/61/54/255056154.db2.gz CUKYOIRQWUHJMI-QAETUUGQSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@@H](C)C1 ZINC000488816611 255056156 /nfs/dbraw/zinc/05/61/56/255056156.db2.gz CUKYOIRQWUHJMI-QAETUUGQSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)C1 ZINC000488816611 255056158 /nfs/dbraw/zinc/05/61/58/255056158.db2.gz CUKYOIRQWUHJMI-QAETUUGQSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)C1 ZINC000488816611 255056159 /nfs/dbraw/zinc/05/61/59/255056159.db2.gz CUKYOIRQWUHJMI-QAETUUGQSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CS1 ZINC000488421672 255043393 /nfs/dbraw/zinc/04/33/93/255043393.db2.gz TUSUUMAQSXMYFX-IAGOWNOFSA-N 2 2 343.581 1.886 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000489366102 255067854 /nfs/dbraw/zinc/06/78/54/255067854.db2.gz JOSAQZSEJLYUNG-QZTJIDSGSA-N 2 2 339.524 1.922 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC000489366102 255067856 /nfs/dbraw/zinc/06/78/56/255067856.db2.gz JOSAQZSEJLYUNG-QZTJIDSGSA-N 2 2 339.524 1.922 20 0 EDADLP COc1ccc([C@H](NC(=O)/C=C\C[NH+](C)C)c2[nH+]ccn2C)cc1 ZINC000491641992 255136203 /nfs/dbraw/zinc/13/62/03/255136203.db2.gz LSHBNTUCDBTJBQ-OSJSJHBBSA-N 2 2 328.416 1.752 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000493650380 255218391 /nfs/dbraw/zinc/21/83/91/255218391.db2.gz JXGMZCSHJJEDLE-MWWKQMNYSA-N 2 2 332.448 1.485 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000493650380 255218392 /nfs/dbraw/zinc/21/83/92/255218392.db2.gz JXGMZCSHJJEDLE-MWWKQMNYSA-N 2 2 332.448 1.485 20 0 EDADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000493793251 255221543 /nfs/dbraw/zinc/22/15/43/255221543.db2.gz QMUYAORLHZLUIF-WAYWQWQTSA-N 2 2 339.443 1.983 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)/C=C\c2[nH]cc[nH+]2)c1 ZINC000493302917 255202760 /nfs/dbraw/zinc/20/27/60/255202760.db2.gz MADFTNOPWJNTOG-IDTUSYRASA-N 2 2 339.399 1.511 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)/C=C\c2[nH]cc[nH+]2)c1 ZINC000493302917 255202761 /nfs/dbraw/zinc/20/27/61/255202761.db2.gz MADFTNOPWJNTOG-IDTUSYRASA-N 2 2 339.399 1.511 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000493302919 255202790 /nfs/dbraw/zinc/20/27/90/255202790.db2.gz MADFTNOPWJNTOG-LQYUOIDQSA-N 2 2 339.399 1.511 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)/C=C/c2[nH]cc[nH+]2)c1 ZINC000493302919 255202791 /nfs/dbraw/zinc/20/27/91/255202791.db2.gz MADFTNOPWJNTOG-LQYUOIDQSA-N 2 2 339.399 1.511 20 0 EDADLP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494387960 255248872 /nfs/dbraw/zinc/24/88/72/255248872.db2.gz RQUCHSHBTMPSLZ-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494387960 255248873 /nfs/dbraw/zinc/24/88/73/255248873.db2.gz RQUCHSHBTMPSLZ-QGZVFWFLSA-N 2 2 338.496 1.223 20 0 EDADLP O=C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000494466239 255251675 /nfs/dbraw/zinc/25/16/75/255251675.db2.gz OZUQVUDDLYFUDJ-QUCCMNQESA-N 2 2 343.471 1.488 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)n1C ZINC000496306796 255378638 /nfs/dbraw/zinc/37/86/38/255378638.db2.gz KAGVZLNTYNLCFW-HNNXBMFYSA-N 2 2 338.452 1.844 20 0 EDADLP CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000496474661 255396169 /nfs/dbraw/zinc/39/61/69/255396169.db2.gz RAJSKUMUGGZPLB-HNNXBMFYSA-N 2 2 338.452 1.481 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000496265024 255372293 /nfs/dbraw/zinc/37/22/93/255372293.db2.gz QBEWIWVJPYJBGN-QGZVFWFLSA-N 2 2 334.420 1.700 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119462083 221326383 /nfs/dbraw/zinc/32/63/83/221326383.db2.gz PLYWRIGVOYQOKU-XNHLSEOASA-N 2 2 336.524 1.390 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119462083 221326386 /nfs/dbraw/zinc/32/63/86/221326386.db2.gz PLYWRIGVOYQOKU-XNHLSEOASA-N 2 2 336.524 1.390 20 0 EDADLP CC(C)CNC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119462083 221326388 /nfs/dbraw/zinc/32/63/88/221326388.db2.gz PLYWRIGVOYQOKU-XNHLSEOASA-N 2 2 336.524 1.390 20 0 EDADLP CC(C)CNC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119462083 221326389 /nfs/dbraw/zinc/32/63/89/221326389.db2.gz PLYWRIGVOYQOKU-XNHLSEOASA-N 2 2 336.524 1.390 20 0 EDADLP COC[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368366881 285336213 /nfs/dbraw/zinc/33/62/13/285336213.db2.gz JFLHOKHKDSCNAL-ZBFHGGJFSA-N 2 2 326.485 1.079 20 0 EDADLP COC[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368366881 285336215 /nfs/dbraw/zinc/33/62/15/285336215.db2.gz JFLHOKHKDSCNAL-ZBFHGGJFSA-N 2 2 326.485 1.079 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264281910 139393145 /nfs/dbraw/zinc/39/31/45/139393145.db2.gz HWTOFBQILYFBBF-QGZVFWFLSA-N 2 2 328.416 1.151 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416221899 304297049 /nfs/dbraw/zinc/29/70/49/304297049.db2.gz LZFDDKKOGJNPIC-SJLPKXTDSA-N 2 2 333.476 1.859 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000271146161 140246021 /nfs/dbraw/zinc/24/60/21/140246021.db2.gz ACEUJPLEVXBEJZ-UHFFFAOYSA-N 2 2 349.475 1.042 20 0 EDADLP CN(C)C(=O)COc1ccccc1C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000271146161 140246023 /nfs/dbraw/zinc/24/60/23/140246023.db2.gz ACEUJPLEVXBEJZ-UHFFFAOYSA-N 2 2 349.475 1.042 20 0 EDADLP C[C@H](c1cccc(NC(=O)N2CC[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000331790463 141081425 /nfs/dbraw/zinc/08/14/25/141081425.db2.gz JZACSTILHYXTGV-HUUCEWRRSA-N 2 2 332.448 1.905 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333298945 141295130 /nfs/dbraw/zinc/29/51/30/141295130.db2.gz IQXCTROSVNHOKI-SJORKVTESA-N 2 2 343.475 1.823 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000333331916 141300889 /nfs/dbraw/zinc/30/08/89/141300889.db2.gz WIUYTIWTKKRFDN-HOCLYGCPSA-N 2 2 331.464 1.288 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000333331916 141300890 /nfs/dbraw/zinc/30/08/90/141300890.db2.gz WIUYTIWTKKRFDN-HOCLYGCPSA-N 2 2 331.464 1.288 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000333426598 141316278 /nfs/dbraw/zinc/31/62/78/141316278.db2.gz JHEAIYWKHKIKHR-NVXWUHKLSA-N 2 2 349.479 1.812 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC000333481991 141324545 /nfs/dbraw/zinc/32/45/45/141324545.db2.gz CETGNSUCUPXSSD-HIFRSBDPSA-N 2 2 332.452 1.005 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)s1 ZINC000333630818 141347591 /nfs/dbraw/zinc/34/75/91/141347591.db2.gz GPCBNEMJVJHDTM-SWLSCSKDSA-N 2 2 337.493 1.419 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000333683747 141356913 /nfs/dbraw/zinc/35/69/13/141356913.db2.gz PBIURRYMQHFADV-RHSMWYFYSA-N 2 2 348.495 1.005 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333864747 141397062 /nfs/dbraw/zinc/39/70/62/141397062.db2.gz AQKKRLVTVFTUIB-OAHLLOKOSA-N 2 2 327.432 1.865 20 0 EDADLP COC[C@@H]1CC[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000339281649 142003287 /nfs/dbraw/zinc/00/32/87/142003287.db2.gz HXODBWKZACOSPT-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP COC[C@@H]1CC[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000339281649 142003289 /nfs/dbraw/zinc/00/32/89/142003289.db2.gz HXODBWKZACOSPT-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP CO[C@@H]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000340300360 142334999 /nfs/dbraw/zinc/33/49/99/142334999.db2.gz LOMMCYNFHVMWOH-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CO[C@@H]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000340300360 142335001 /nfs/dbraw/zinc/33/50/01/142335001.db2.gz LOMMCYNFHVMWOH-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(Cc3c[nH+]cn3Cc3ccccc3)[C@H]2C1 ZINC000345025399 143040732 /nfs/dbraw/zinc/04/07/32/143040732.db2.gz ZMBJCAMTVONRBP-OALUTQOASA-N 2 2 326.444 1.836 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(Cc3c[nH+]cn3Cc3ccccc3)[C@H]2C1 ZINC000345025399 143040733 /nfs/dbraw/zinc/04/07/33/143040733.db2.gz ZMBJCAMTVONRBP-OALUTQOASA-N 2 2 326.444 1.836 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000346150861 143172882 /nfs/dbraw/zinc/17/28/82/143172882.db2.gz NVEUNKHVYSGRNY-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000346370599 143197613 /nfs/dbraw/zinc/19/76/13/143197613.db2.gz PPRZKKZYTYJYAB-UHFFFAOYSA-N 3 2 349.523 1.752 20 0 EDADLP O=C(C[N@H+]1C[C@H](F)C[C@@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000346385492 143199463 /nfs/dbraw/zinc/19/94/63/143199463.db2.gz WUASLPWKNANTGI-QZTJIDSGSA-N 2 2 349.450 1.303 20 0 EDADLP O=C(C[N@@H+]1C[C@H](F)C[C@@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000346385492 143199464 /nfs/dbraw/zinc/19/94/64/143199464.db2.gz WUASLPWKNANTGI-QZTJIDSGSA-N 2 2 349.450 1.303 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3cccc4c3NCC4)CC2)cc[nH+]1 ZINC000346995736 143269404 /nfs/dbraw/zinc/26/94/04/143269404.db2.gz CMKLDQXOPQKUOO-UHFFFAOYSA-N 2 2 338.459 1.833 20 0 EDADLP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(=O)NCCOC)CC1 ZINC000347159450 143289243 /nfs/dbraw/zinc/28/92/43/143289243.db2.gz VJJFDHONXSJLJU-GOSISDBHSA-N 2 2 333.476 1.434 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@H]1OCC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC000347457056 143323914 /nfs/dbraw/zinc/32/39/14/143323914.db2.gz WPTKUQHHEUAONK-KURKYZTESA-N 2 2 333.476 1.857 20 0 EDADLP CC[C@H](C(=O)N(C)C[C@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)[NH+](C)C ZINC000347457056 143323915 /nfs/dbraw/zinc/32/39/15/143323915.db2.gz WPTKUQHHEUAONK-KURKYZTESA-N 2 2 333.476 1.857 20 0 EDADLP C[N@@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC000347485781 143327549 /nfs/dbraw/zinc/32/75/49/143327549.db2.gz PFXYICPVCUMVSG-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP C[N@H+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C(C)(C)C1 ZINC000347485781 143327550 /nfs/dbraw/zinc/32/75/50/143327550.db2.gz PFXYICPVCUMVSG-UHFFFAOYSA-N 2 2 344.503 1.357 20 0 EDADLP Cc1nc(CN2C[C@H](F)C[C@H]2C[N@@H+](C)CCc2c[nH+]cn2C)no1 ZINC000347757287 143358901 /nfs/dbraw/zinc/35/89/01/143358901.db2.gz GPULDDNUYTZVGW-HIFRSBDPSA-N 2 2 336.415 1.198 20 0 EDADLP Cc1nc(CN2C[C@H](F)C[C@H]2C[N@H+](C)CCc2c[nH+]cn2C)no1 ZINC000347757287 143358902 /nfs/dbraw/zinc/35/89/02/143358902.db2.gz GPULDDNUYTZVGW-HIFRSBDPSA-N 2 2 336.415 1.198 20 0 EDADLP COCCOCc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000347774164 143361504 /nfs/dbraw/zinc/36/15/04/143361504.db2.gz KMSSIRCNLBQRQY-UHFFFAOYSA-N 2 2 336.476 1.738 20 0 EDADLP COCCOCc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000347774164 143361505 /nfs/dbraw/zinc/36/15/05/143361505.db2.gz KMSSIRCNLBQRQY-UHFFFAOYSA-N 2 2 336.476 1.738 20 0 EDADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000351544499 143579045 /nfs/dbraw/zinc/57/90/45/143579045.db2.gz VBXAOMFXDTWREU-AWEZNQCLSA-N 2 2 341.415 1.637 20 0 EDADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)COc1ccc2c(c1)OCO2 ZINC000573083674 306611006 /nfs/dbraw/zinc/61/10/06/306611006.db2.gz BEXLGTODRFKCJW-CQSZACIVSA-N 2 2 333.388 1.422 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416892532 304353520 /nfs/dbraw/zinc/35/35/20/304353520.db2.gz OVPCGBPSIHZFCI-OIISXLGYSA-N 2 2 332.448 1.191 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[C@H]1O ZINC000352661914 149106519 /nfs/dbraw/zinc/10/65/19/149106519.db2.gz VNXVKFKNDGMGEN-JKSUJKDBSA-N 2 2 337.489 1.238 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[C@H]1O ZINC000352661914 149106521 /nfs/dbraw/zinc/10/65/21/149106521.db2.gz VNXVKFKNDGMGEN-JKSUJKDBSA-N 2 2 337.489 1.238 20 0 EDADLP CC[C@H](C(=O)OC)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000352667987 149108944 /nfs/dbraw/zinc/10/89/44/149108944.db2.gz ORGVOQBSPLGTDE-GOSISDBHSA-N 2 2 342.443 1.942 20 0 EDADLP Cc1cnn(C)c1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000352774112 149160083 /nfs/dbraw/zinc/16/00/83/149160083.db2.gz VVRJHJYCGSDVTL-UHFFFAOYSA-N 2 2 344.459 1.729 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000416902808 304354977 /nfs/dbraw/zinc/35/49/77/304354977.db2.gz BVTGAVNORAQLQX-CABCVRRESA-N 2 2 331.395 1.781 20 0 EDADLP CN(C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1)C1CC([NH3+])C1 ZINC000416902796 304354881 /nfs/dbraw/zinc/35/48/81/304354881.db2.gz BUCCQXOXBTZXSC-NRXISQOPSA-N 2 2 331.395 1.780 20 0 EDADLP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000347910109 286106118 /nfs/dbraw/zinc/10/61/18/286106118.db2.gz AVKXQRIDGLTMPW-KGLIPLIRSA-N 2 2 336.436 1.062 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCC[C@H]1CCC[NH2+]1 ZINC000416967584 304357039 /nfs/dbraw/zinc/35/70/39/304357039.db2.gz ZSIHAANWEGCEEP-QGZVFWFLSA-N 2 2 341.459 1.915 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)C(F)F ZINC000416973887 304358533 /nfs/dbraw/zinc/35/85/33/304358533.db2.gz JZOCJYVUWLFIBN-GFCCVEGCSA-N 2 2 327.379 1.464 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)C1 ZINC000416976965 304359409 /nfs/dbraw/zinc/35/94/09/304359409.db2.gz ANICBZNSONDPCX-GOEBONIOSA-N 2 2 347.463 1.200 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000354898388 150018357 /nfs/dbraw/zinc/01/83/57/150018357.db2.gz KUHHAJFFAMZLQU-INIZCTEOSA-N 2 2 347.459 1.363 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000354898388 150018359 /nfs/dbraw/zinc/01/83/59/150018359.db2.gz KUHHAJFFAMZLQU-INIZCTEOSA-N 2 2 347.459 1.363 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354950156 150050809 /nfs/dbraw/zinc/05/08/09/150050809.db2.gz UJRCYCGAAUTBLZ-OAHLLOKOSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354950156 150050812 /nfs/dbraw/zinc/05/08/12/150050812.db2.gz UJRCYCGAAUTBLZ-OAHLLOKOSA-N 2 2 345.491 1.388 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@]2(C)CCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355068962 150101716 /nfs/dbraw/zinc/10/17/16/150101716.db2.gz LLAANPOTEABWHA-YJBOKZPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1CN(C(=O)NC[C@]2(C)CCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355068962 150101717 /nfs/dbraw/zinc/10/17/17/150101717.db2.gz LLAANPOTEABWHA-YJBOKZPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)CCOCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355644761 150348817 /nfs/dbraw/zinc/34/88/17/150348817.db2.gz DUTOLDCIZRMINH-UHFFFAOYSA-N 2 2 330.432 1.168 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(C[NH+](C)C)on2)C[C@H](C)O1 ZINC000355757237 150388651 /nfs/dbraw/zinc/38/86/51/150388651.db2.gz JSLXUBQDBBUGPA-OKILXGFUSA-N 2 2 338.452 1.355 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)c2cc(C[NH+](C)C)on2)C[C@H](C)O1 ZINC000355757237 150388652 /nfs/dbraw/zinc/38/86/52/150388652.db2.gz JSLXUBQDBBUGPA-OKILXGFUSA-N 2 2 338.452 1.355 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000357466125 151040107 /nfs/dbraw/zinc/04/01/07/151040107.db2.gz KPWVJHMIEZDKGZ-UHFFFAOYSA-N 2 2 344.459 1.698 20 0 EDADLP C[C@H](NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000357649297 151101413 /nfs/dbraw/zinc/10/14/13/151101413.db2.gz PEJUDHRBABAQRV-AWEZNQCLSA-N 2 2 337.439 1.391 20 0 EDADLP C[C@H](NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000357649297 151101414 /nfs/dbraw/zinc/10/14/14/151101414.db2.gz PEJUDHRBABAQRV-AWEZNQCLSA-N 2 2 337.439 1.391 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000357798412 151154692 /nfs/dbraw/zinc/15/46/92/151154692.db2.gz LHYOADPQAOEKJP-OAHLLOKOSA-N 2 2 335.452 1.235 20 0 EDADLP C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C1=CC[N@H+](C)CC1 ZINC000357904616 151189579 /nfs/dbraw/zinc/18/95/79/151189579.db2.gz ICZAHLQWHMANSS-INIZCTEOSA-N 2 2 343.471 1.899 20 0 EDADLP C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C1=CC[N@@H+](C)CC1 ZINC000357904616 151189580 /nfs/dbraw/zinc/18/95/80/151189580.db2.gz ICZAHLQWHMANSS-INIZCTEOSA-N 2 2 343.471 1.899 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000417077849 304370648 /nfs/dbraw/zinc/37/06/48/304370648.db2.gz LWJUDRGBNFWVLP-CABCVRRESA-N 2 2 331.464 1.867 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c(C)o1 ZINC000370084977 155317817 /nfs/dbraw/zinc/31/78/17/155317817.db2.gz QLEHCPHUPNIJTK-MAUKXSAKSA-N 2 2 349.475 1.870 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)CC(C)(CO)CO)sc2C1 ZINC000360354310 152004825 /nfs/dbraw/zinc/00/48/25/152004825.db2.gz KTBPEVSJKPKMDI-UHFFFAOYSA-N 2 2 327.494 1.332 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)CC(C)(CO)CO)sc2C1 ZINC000360354310 152004827 /nfs/dbraw/zinc/00/48/27/152004827.db2.gz KTBPEVSJKPKMDI-UHFFFAOYSA-N 2 2 327.494 1.332 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)CC(C)(CO)CO)sc2C1 ZINC000360354310 152004830 /nfs/dbraw/zinc/00/48/30/152004830.db2.gz KTBPEVSJKPKMDI-UHFFFAOYSA-N 2 2 327.494 1.332 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)CC(C)(CO)CO)sc2C1 ZINC000360354310 152004833 /nfs/dbraw/zinc/00/48/33/152004833.db2.gz KTBPEVSJKPKMDI-UHFFFAOYSA-N 2 2 327.494 1.332 20 0 EDADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360534162 152084418 /nfs/dbraw/zinc/08/44/18/152084418.db2.gz DQFCBVRLHLLPQQ-YWZLYKJASA-N 2 2 340.471 1.901 20 0 EDADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360534162 152084420 /nfs/dbraw/zinc/08/44/20/152084420.db2.gz DQFCBVRLHLLPQQ-YWZLYKJASA-N 2 2 340.471 1.901 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360548394 152089889 /nfs/dbraw/zinc/08/98/89/152089889.db2.gz UNLVEVNILIIZJR-XLIONFOSSA-N 2 2 342.487 1.409 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360548394 152089891 /nfs/dbraw/zinc/08/98/91/152089891.db2.gz UNLVEVNILIIZJR-XLIONFOSSA-N 2 2 342.487 1.409 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCCOc1cccc(Cl)c1 ZINC000360563668 152099105 /nfs/dbraw/zinc/09/91/05/152099105.db2.gz PGZJMFXPTLBSSX-QGZVFWFLSA-N 2 2 337.851 1.520 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCCOc1cccc(Cl)c1 ZINC000360563668 152099108 /nfs/dbraw/zinc/09/91/08/152099108.db2.gz PGZJMFXPTLBSSX-QGZVFWFLSA-N 2 2 337.851 1.520 20 0 EDADLP C[C@H]1CN(C(=O)NCC2CCOCC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000360828627 152222913 /nfs/dbraw/zinc/22/29/13/152222913.db2.gz KGLSHQVNQAVSKU-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1CN(C(=O)NCC2CCOCC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000360828627 152222915 /nfs/dbraw/zinc/22/29/15/152222915.db2.gz KGLSHQVNQAVSKU-HNNXBMFYSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000360893147 152243776 /nfs/dbraw/zinc/24/37/76/152243776.db2.gz ADNZMJCQTQBQKW-LSDHHAIUSA-N 2 2 325.497 1.865 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000360893147 152243778 /nfs/dbraw/zinc/24/37/78/152243778.db2.gz ADNZMJCQTQBQKW-LSDHHAIUSA-N 2 2 325.497 1.865 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361062163 152292985 /nfs/dbraw/zinc/29/29/85/152292985.db2.gz LAXNORUPVWPVLB-INIZCTEOSA-N 2 2 336.480 1.917 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000361166887 152324974 /nfs/dbraw/zinc/32/49/74/152324974.db2.gz JDTBBVHPVQLVLP-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000361166887 152324976 /nfs/dbraw/zinc/32/49/76/152324976.db2.gz JDTBBVHPVQLVLP-KRWDZBQOSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH3+])[NH+]2CCOCC2)cc1 ZINC000417180906 304381454 /nfs/dbraw/zinc/38/14/54/304381454.db2.gz PAAMFLMCCYDPGS-MSOLQXFVSA-N 2 2 346.475 1.501 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NC(C)(C)C[NH3+])[NH+]2CCOCC2)cc1 ZINC000417185345 304381819 /nfs/dbraw/zinc/38/18/19/304381819.db2.gz UILADQGGKQDLRX-INIZCTEOSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ncccn1 ZINC000363708462 153035040 /nfs/dbraw/zinc/03/50/40/153035040.db2.gz SUEYGCZZJQITGS-CAOSSQGBSA-N 2 2 347.463 1.283 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ncccn1 ZINC000363708462 153035042 /nfs/dbraw/zinc/03/50/42/153035042.db2.gz SUEYGCZZJQITGS-CAOSSQGBSA-N 2 2 347.463 1.283 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)n(C)n1 ZINC000363712778 153037351 /nfs/dbraw/zinc/03/73/51/153037351.db2.gz KXCOXDMFYZSPIB-NUEKZKHPSA-N 2 2 349.479 1.146 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)n(C)n1 ZINC000363712778 153037354 /nfs/dbraw/zinc/03/73/54/153037354.db2.gz KXCOXDMFYZSPIB-NUEKZKHPSA-N 2 2 349.479 1.146 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363921375 153096402 /nfs/dbraw/zinc/09/64/02/153096402.db2.gz NPMSKCHBFAOBLQ-KRWDZBQOSA-N 2 2 326.400 1.419 20 0 EDADLP NC(=O)C1([NH+]2CCN(c3cc[nH+]c4ccncc43)CC2)CCCC1 ZINC000364044480 153131066 /nfs/dbraw/zinc/13/10/66/153131066.db2.gz XJIAONNCEDPJDT-UHFFFAOYSA-N 2 2 325.416 1.550 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)N1CC[NH+](C2CC2)CC1 ZINC000364173482 153163754 /nfs/dbraw/zinc/16/37/54/153163754.db2.gz VBPITFKFKJGQGB-UHFFFAOYSA-N 2 2 326.404 1.257 20 0 EDADLP Cc1nc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c2c([nH+]1)CCCC2 ZINC000364299083 153200817 /nfs/dbraw/zinc/20/08/17/153200817.db2.gz ILEVTTPZKMJGLS-MRXNPFEDSA-N 2 2 329.492 1.880 20 0 EDADLP Cc1nc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c2c([nH+]1)CCCC2 ZINC000364299083 153200820 /nfs/dbraw/zinc/20/08/20/153200820.db2.gz ILEVTTPZKMJGLS-MRXNPFEDSA-N 2 2 329.492 1.880 20 0 EDADLP CCc1cc(=O)[nH]c(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)n1 ZINC000364345960 153211879 /nfs/dbraw/zinc/21/18/79/153211879.db2.gz GAFZKPBNVYKTNQ-NUEKZKHPSA-N 2 2 334.464 1.724 20 0 EDADLP CCc1cc(=O)[nH]c(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)n1 ZINC000364345960 153211881 /nfs/dbraw/zinc/21/18/81/153211881.db2.gz GAFZKPBNVYKTNQ-NUEKZKHPSA-N 2 2 334.464 1.724 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3)C2)CC1 ZINC000364991895 153393400 /nfs/dbraw/zinc/39/34/00/153393400.db2.gz AMNLEZIESUBSCU-FUHWJXTLSA-N 2 2 346.475 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CO)c3ccccc3)C2)CC1 ZINC000364991895 153393402 /nfs/dbraw/zinc/39/34/02/153393402.db2.gz AMNLEZIESUBSCU-FUHWJXTLSA-N 2 2 346.475 1.188 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)NCc2c[nH+]c3n2CCCC3)C[C@H](C)O1 ZINC000367073203 154000300 /nfs/dbraw/zinc/00/03/00/154000300.db2.gz JGVJTWCNFAKVBE-GJZGRUSLSA-N 2 2 349.479 1.518 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H](C)C2)s1 ZINC000367321969 154077254 /nfs/dbraw/zinc/07/72/54/154077254.db2.gz LTVKTCVJSQKCEW-WFASDCNBSA-N 2 2 337.493 1.277 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H](C)C2)s1 ZINC000367321969 154077256 /nfs/dbraw/zinc/07/72/56/154077256.db2.gz LTVKTCVJSQKCEW-WFASDCNBSA-N 2 2 337.493 1.277 20 0 EDADLP CC[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000367394824 154102784 /nfs/dbraw/zinc/10/27/84/154102784.db2.gz RZUQRLVPUBDLDR-DLBZAZTESA-N 2 2 334.464 1.936 20 0 EDADLP CC[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000367394824 154102787 /nfs/dbraw/zinc/10/27/87/154102787.db2.gz RZUQRLVPUBDLDR-DLBZAZTESA-N 2 2 334.464 1.936 20 0 EDADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(S(N)(=O)=O)c1 ZINC000367617122 154200122 /nfs/dbraw/zinc/20/01/22/154200122.db2.gz JHZRNBUKMHYJGA-CYBMUJFWSA-N 2 2 348.472 1.760 20 0 EDADLP Cn1c(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)nc2ccccc2c1=O ZINC000367690664 154232248 /nfs/dbraw/zinc/23/22/48/154232248.db2.gz VECICFFFLDDDSU-AWEZNQCLSA-N 2 2 337.427 1.824 20 0 EDADLP Cn1c(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)nc2ccccc2c1=O ZINC000367690664 154232249 /nfs/dbraw/zinc/23/22/49/154232249.db2.gz VECICFFFLDDDSU-AWEZNQCLSA-N 2 2 337.427 1.824 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000367846527 154296681 /nfs/dbraw/zinc/29/66/81/154296681.db2.gz MRWBRIQWWYXOSM-UHFFFAOYSA-N 2 2 333.461 1.945 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)CC1 ZINC000369461780 155044141 /nfs/dbraw/zinc/04/41/41/155044141.db2.gz IXCMKGKHUDBLGH-KRWDZBQOSA-N 2 2 328.460 1.616 20 0 EDADLP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)CC1 ZINC000369461780 155044146 /nfs/dbraw/zinc/04/41/46/155044146.db2.gz IXCMKGKHUDBLGH-KRWDZBQOSA-N 2 2 328.460 1.616 20 0 EDADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369520062 155067756 /nfs/dbraw/zinc/06/77/56/155067756.db2.gz QLTWRVFPNMMJMW-CVEARBPZSA-N 2 2 347.507 1.467 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)C(=O)C1 ZINC000371641395 156044528 /nfs/dbraw/zinc/04/45/28/156044528.db2.gz FXLPRXFVQXBUFU-UHFFFAOYSA-N 2 2 338.455 1.973 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)C(=O)C1 ZINC000371641395 156044531 /nfs/dbraw/zinc/04/45/31/156044531.db2.gz FXLPRXFVQXBUFU-UHFFFAOYSA-N 2 2 338.455 1.973 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)C[C@H]1C ZINC000371810514 156115056 /nfs/dbraw/zinc/11/50/56/156115056.db2.gz ODCHGCRBWNDKLT-GUXCAODWSA-N 2 2 345.487 1.303 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)C[C@H]1C ZINC000371810514 156115058 /nfs/dbraw/zinc/11/50/58/156115058.db2.gz ODCHGCRBWNDKLT-GUXCAODWSA-N 2 2 345.487 1.303 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CCN(c3ncnc4c3C[N@H+](C)CC4)C2)CC1 ZINC000371960788 156184470 /nfs/dbraw/zinc/18/44/70/156184470.db2.gz CFZMTNLKCSQPOR-INIZCTEOSA-N 2 2 344.507 1.069 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000372250675 156289137 /nfs/dbraw/zinc/28/91/37/156289137.db2.gz UUAMXEVWNUTCET-OAHLLOKOSA-N 2 2 337.468 1.336 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000372250675 156289141 /nfs/dbraw/zinc/28/91/41/156289141.db2.gz UUAMXEVWNUTCET-OAHLLOKOSA-N 2 2 337.468 1.336 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000372329612 156336530 /nfs/dbraw/zinc/33/65/30/156336530.db2.gz IBRGTBULMMDJJF-DJIMGWMZSA-N 2 2 329.448 1.708 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000372329612 156336535 /nfs/dbraw/zinc/33/65/35/156336535.db2.gz IBRGTBULMMDJJF-DJIMGWMZSA-N 2 2 329.448 1.708 20 0 EDADLP Cc1cc(NC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc[nH+]1 ZINC000372419577 156381041 /nfs/dbraw/zinc/38/10/41/156381041.db2.gz CZUWVTUEFKUKAF-QGZVFWFLSA-N 2 2 331.464 1.444 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373931853 157071164 /nfs/dbraw/zinc/07/11/64/157071164.db2.gz DQYCZJSBZXKAKB-IAGOWNOFSA-N 2 2 343.475 1.976 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373931853 157071173 /nfs/dbraw/zinc/07/11/73/157071173.db2.gz DQYCZJSBZXKAKB-IAGOWNOFSA-N 2 2 343.475 1.976 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000374115147 157148951 /nfs/dbraw/zinc/14/89/51/157148951.db2.gz UHCDHSNZCIKUFL-IAGOWNOFSA-N 2 2 328.460 1.913 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000374115147 157148953 /nfs/dbraw/zinc/14/89/53/157148953.db2.gz UHCDHSNZCIKUFL-IAGOWNOFSA-N 2 2 328.460 1.913 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374214093 157199121 /nfs/dbraw/zinc/19/91/21/157199121.db2.gz XBUIZXKZHGUKAT-LBPRGKRZSA-N 2 2 341.415 1.715 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC12CCOCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000374296994 157230069 /nfs/dbraw/zinc/23/00/69/157230069.db2.gz PIJRNUKZOVXILD-RTBURBONSA-N 2 2 330.472 1.954 20 0 EDADLP O[C@H](C[NH2+][C@@H]1CCC12CCOCC2)C[N@H+]1CCc2ccccc2C1 ZINC000374296994 157230071 /nfs/dbraw/zinc/23/00/71/157230071.db2.gz PIJRNUKZOVXILD-RTBURBONSA-N 2 2 330.472 1.954 20 0 EDADLP Cc1ccc(C2CC[NH+](CC(=O)NCC(=O)N3CCCC3)CC2)c[nH+]1 ZINC000374650511 157355560 /nfs/dbraw/zinc/35/55/60/157355560.db2.gz YAUZWJLZMZKMED-UHFFFAOYSA-N 2 2 344.459 1.308 20 0 EDADLP CC(C)Cn1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000374771238 157394062 /nfs/dbraw/zinc/39/40/62/157394062.db2.gz KWKIICFJRBJMLT-INIZCTEOSA-N 2 2 347.507 1.780 20 0 EDADLP CC(C)Cn1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000374771238 157394065 /nfs/dbraw/zinc/39/40/65/157394065.db2.gz KWKIICFJRBJMLT-INIZCTEOSA-N 2 2 347.507 1.780 20 0 EDADLP Cc1ncsc1C(=O)NC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000376850864 157840681 /nfs/dbraw/zinc/84/06/81/157840681.db2.gz HKDQOFPSUXZKPG-UHFFFAOYSA-N 2 2 333.461 1.933 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)S1 ZINC000377891808 158021360 /nfs/dbraw/zinc/02/13/60/158021360.db2.gz DFOICZCVQLJENG-STQMWFEESA-N 2 2 333.461 1.396 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000377917134 158028431 /nfs/dbraw/zinc/02/84/31/158028431.db2.gz YNHMEEYGWJEWIO-HNNXBMFYSA-N 2 2 341.415 1.939 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377924813 158029896 /nfs/dbraw/zinc/02/98/96/158029896.db2.gz SYHNNONEUAXPDG-KRWDZBQOSA-N 2 2 329.460 1.380 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377924813 158029898 /nfs/dbraw/zinc/02/98/98/158029898.db2.gz SYHNNONEUAXPDG-KRWDZBQOSA-N 2 2 329.460 1.380 20 0 EDADLP C[N@@H+]1CCc2ncnc(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)c2C1 ZINC000378155920 158094519 /nfs/dbraw/zinc/09/45/19/158094519.db2.gz UKDXCJNJFPDHMX-IAGOWNOFSA-N 2 2 331.464 1.520 20 0 EDADLP C[N@H+]1CCc2ncnc(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)c2C1 ZINC000378155920 158094521 /nfs/dbraw/zinc/09/45/21/158094521.db2.gz UKDXCJNJFPDHMX-IAGOWNOFSA-N 2 2 331.464 1.520 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378435347 158172901 /nfs/dbraw/zinc/17/29/01/158172901.db2.gz XBLHRYIDRDNLNS-ZDUSSCGKSA-N 2 2 336.436 1.167 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000378439545 158174544 /nfs/dbraw/zinc/17/45/44/158174544.db2.gz REFHLRLFKJANTH-GOSISDBHSA-N 2 2 333.476 1.817 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1COCC[N@H+]1CC ZINC000378439545 158174547 /nfs/dbraw/zinc/17/45/47/158174547.db2.gz REFHLRLFKJANTH-GOSISDBHSA-N 2 2 333.476 1.817 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000378492777 158190947 /nfs/dbraw/zinc/19/09/47/158190947.db2.gz HWXQCZXNMFIVML-ZDUSSCGKSA-N 2 2 347.488 1.728 20 0 EDADLP CCc1nncn1CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000576146471 306679109 /nfs/dbraw/zinc/67/91/09/306679109.db2.gz BBYWSNRTEXCCNG-AEFFLSMTSA-N 2 2 329.448 1.932 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000352135879 162003104 /nfs/dbraw/zinc/00/31/04/162003104.db2.gz ZGZBYGMIACBIPE-HZPDHXFCSA-N 2 2 349.479 1.084 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000352135879 162003110 /nfs/dbraw/zinc/00/31/10/162003110.db2.gz ZGZBYGMIACBIPE-HZPDHXFCSA-N 2 2 349.479 1.084 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000352135879 162003111 /nfs/dbraw/zinc/00/31/11/162003111.db2.gz ZGZBYGMIACBIPE-HZPDHXFCSA-N 2 2 349.479 1.084 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000352135879 162003114 /nfs/dbraw/zinc/00/31/14/162003114.db2.gz ZGZBYGMIACBIPE-HZPDHXFCSA-N 2 2 349.479 1.084 20 0 EDADLP O=S1(=O)CC[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000352449148 162187152 /nfs/dbraw/zinc/18/71/52/162187152.db2.gz XNBIDNKWHQKJLN-QRVBRYPASA-N 2 2 348.512 1.875 20 0 EDADLP O=S1(=O)CC[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000352449148 162187153 /nfs/dbraw/zinc/18/71/53/162187153.db2.gz XNBIDNKWHQKJLN-QRVBRYPASA-N 2 2 348.512 1.875 20 0 EDADLP O=S1(=O)CC[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000352449148 162187156 /nfs/dbraw/zinc/18/71/56/162187156.db2.gz XNBIDNKWHQKJLN-QRVBRYPASA-N 2 2 348.512 1.875 20 0 EDADLP O=S1(=O)CC[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000352449148 162187157 /nfs/dbraw/zinc/18/71/57/162187157.db2.gz XNBIDNKWHQKJLN-QRVBRYPASA-N 2 2 348.512 1.875 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352488336 162208338 /nfs/dbraw/zinc/20/83/38/162208338.db2.gz OXUMGHAYXQSQKG-KRWDZBQOSA-N 3 2 345.491 1.324 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352488336 162208339 /nfs/dbraw/zinc/20/83/39/162208339.db2.gz OXUMGHAYXQSQKG-KRWDZBQOSA-N 3 2 345.491 1.324 20 0 EDADLP COc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000364229579 162322463 /nfs/dbraw/zinc/32/24/63/162322463.db2.gz HSMKGGINHIZNLB-ZDUSSCGKSA-N 2 2 333.432 1.299 20 0 EDADLP COc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000364229579 162322464 /nfs/dbraw/zinc/32/24/64/162322464.db2.gz HSMKGGINHIZNLB-ZDUSSCGKSA-N 2 2 333.432 1.299 20 0 EDADLP COc1cc[nH+]c(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c1OC ZINC000364515923 162335210 /nfs/dbraw/zinc/33/52/10/162335210.db2.gz FDEOCKWUAQKTBS-LSDHHAIUSA-N 2 2 335.448 1.520 20 0 EDADLP COc1cc[nH+]c(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1OC ZINC000364515923 162335215 /nfs/dbraw/zinc/33/52/15/162335215.db2.gz FDEOCKWUAQKTBS-LSDHHAIUSA-N 2 2 335.448 1.520 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000365182698 162352818 /nfs/dbraw/zinc/35/28/18/162352818.db2.gz HQOCJPVIIQEYGL-LSDHHAIUSA-N 2 2 333.436 1.046 20 0 EDADLP C[C@@H]1CC(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)O1 ZINC000354947742 287204833 /nfs/dbraw/zinc/20/48/33/287204833.db2.gz OFAMILKMTLDPNQ-BZUAXINKSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@@H]1CC(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)C[C@@H](C)O1 ZINC000354947742 287204835 /nfs/dbraw/zinc/20/48/35/287204835.db2.gz OFAMILKMTLDPNQ-BZUAXINKSA-N 2 2 337.508 1.817 20 0 EDADLP C[C@H](C1CC1)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000073800335 287264561 /nfs/dbraw/zinc/26/45/61/287264561.db2.gz PJNJSLLWLPIOLB-MRXNPFEDSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@H](C1CC1)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000073800335 287264564 /nfs/dbraw/zinc/26/45/64/287264564.db2.gz PJNJSLLWLPIOLB-MRXNPFEDSA-N 2 2 345.487 1.865 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000080489634 287307456 /nfs/dbraw/zinc/30/74/56/287307456.db2.gz GFNWSPJSJCNZGK-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269083 287319905 /nfs/dbraw/zinc/31/99/05/287319905.db2.gz NUNMHZDANZHMEV-OAHLLOKOSA-N 2 2 326.529 1.638 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269083 287319907 /nfs/dbraw/zinc/31/99/07/287319907.db2.gz NUNMHZDANZHMEV-OAHLLOKOSA-N 2 2 326.529 1.638 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000089269083 287319908 /nfs/dbraw/zinc/31/99/08/287319908.db2.gz NUNMHZDANZHMEV-OAHLLOKOSA-N 2 2 326.529 1.638 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000089269083 287319911 /nfs/dbraw/zinc/31/99/11/287319911.db2.gz NUNMHZDANZHMEV-OAHLLOKOSA-N 2 2 326.529 1.638 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000121399046 287370706 /nfs/dbraw/zinc/37/07/06/287370706.db2.gz UQEUXTOXPFDEEP-CABCVRRESA-N 2 2 337.468 1.332 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000167146537 226180256 /nfs/dbraw/zinc/18/02/56/226180256.db2.gz ZJOBSHWXNIXLKH-IBGZPJMESA-N 2 2 339.439 1.606 20 0 EDADLP CCc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000122052795 222004257 /nfs/dbraw/zinc/00/42/57/222004257.db2.gz RXVLZBUMPCGFRA-UHFFFAOYSA-N 2 2 348.495 1.663 20 0 EDADLP Cc1cccc(C)c1NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122678403 222136956 /nfs/dbraw/zinc/13/69/56/222136956.db2.gz XXIFAIOMHBBBRJ-UHFFFAOYSA-N 2 2 332.492 1.811 20 0 EDADLP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122678403 222136958 /nfs/dbraw/zinc/13/69/58/222136958.db2.gz XXIFAIOMHBBBRJ-UHFFFAOYSA-N 2 2 332.492 1.811 20 0 EDADLP COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000122994094 222195758 /nfs/dbraw/zinc/19/57/58/222195758.db2.gz NYBPOAHDNOSTKS-UHFFFAOYSA-N 2 2 349.475 1.802 20 0 EDADLP COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1OC ZINC000122994094 222195759 /nfs/dbraw/zinc/19/57/59/222195759.db2.gz NYBPOAHDNOSTKS-UHFFFAOYSA-N 2 2 349.475 1.802 20 0 EDADLP C[C@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH+]1CCSCC1 ZINC000130877932 287500620 /nfs/dbraw/zinc/50/06/20/287500620.db2.gz LDGQOPXRBOVEPA-CQSZACIVSA-N 2 2 334.489 1.735 20 0 EDADLP [NH3+][C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)C1 ZINC000237849750 273013471 /nfs/dbraw/zinc/01/34/71/273013471.db2.gz DZYXPCFFOZCFBR-ZDUSSCGKSA-N 2 2 346.412 1.056 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000238058504 273014092 /nfs/dbraw/zinc/01/40/92/273014092.db2.gz ATPUAPUYUVOROZ-MRXNPFEDSA-N 2 2 330.457 1.643 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C(C)(C)C[NH3+] ZINC000168170139 267521673 /nfs/dbraw/zinc/52/16/73/267521673.db2.gz VRDYDCUMAGEHCK-CYBMUJFWSA-N 2 2 325.478 1.565 20 0 EDADLP CC(C)(O)C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000275034574 268268816 /nfs/dbraw/zinc/26/88/16/268268816.db2.gz DDPMXFCFQHEPHK-UHFFFAOYSA-N 2 2 345.487 1.566 20 0 EDADLP CC(C)(O)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000275034574 268268820 /nfs/dbraw/zinc/26/88/20/268268820.db2.gz DDPMXFCFQHEPHK-UHFFFAOYSA-N 2 2 345.487 1.566 20 0 EDADLP CCc1ccc([C@H]2COCC[N@@H+]2CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000275230938 268305053 /nfs/dbraw/zinc/30/50/53/268305053.db2.gz LLCYRIMQZGPDNR-MRXNPFEDSA-N 2 2 335.448 1.379 20 0 EDADLP CCc1ccc([C@H]2COCC[N@H+]2CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000275230938 268305055 /nfs/dbraw/zinc/30/50/55/268305055.db2.gz LLCYRIMQZGPDNR-MRXNPFEDSA-N 2 2 335.448 1.379 20 0 EDADLP c1c(Cc2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)[nH+]c2ccccn12 ZINC000273969226 273063120 /nfs/dbraw/zinc/06/31/20/273063120.db2.gz LJAYLLVEVWLEHC-ZIAGYGMSSA-N 2 2 325.372 1.844 20 0 EDADLP c1c(Cc2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)[nH+]c2ccccn12 ZINC000273969226 273063121 /nfs/dbraw/zinc/06/31/21/273063121.db2.gz LJAYLLVEVWLEHC-ZIAGYGMSSA-N 2 2 325.372 1.844 20 0 EDADLP Cc1ccn2cc(CNC(=O)NCC[N@@H+]3CCCOCC3)[nH+]c2c1 ZINC000275585901 273111653 /nfs/dbraw/zinc/11/16/53/273111653.db2.gz FLOYUXXACQTABO-UHFFFAOYSA-N 2 2 331.420 1.164 20 0 EDADLP Cc1ccn2cc(CNC(=O)NCC[N@H+]3CCCOCC3)[nH+]c2c1 ZINC000275585901 273111655 /nfs/dbraw/zinc/11/16/55/273111655.db2.gz FLOYUXXACQTABO-UHFFFAOYSA-N 2 2 331.420 1.164 20 0 EDADLP O=C(C[N@@H+](CCO)C1CCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000275919270 273134446 /nfs/dbraw/zinc/13/44/46/273134446.db2.gz ZALZLEDIZLFTKQ-UHFFFAOYSA-N 2 2 331.460 1.178 20 0 EDADLP O=C(C[N@H+](CCO)C1CCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000275919270 273134448 /nfs/dbraw/zinc/13/44/48/273134448.db2.gz ZALZLEDIZLFTKQ-UHFFFAOYSA-N 2 2 331.460 1.178 20 0 EDADLP CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000277004960 273176105 /nfs/dbraw/zinc/17/61/05/273176105.db2.gz OZMHCOVOPWBRAI-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000279251039 273288969 /nfs/dbraw/zinc/28/89/69/273288969.db2.gz HDVQZYUMIXGJJJ-QGZVFWFLSA-N 2 2 333.476 1.859 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000279251039 273288971 /nfs/dbraw/zinc/28/89/71/273288971.db2.gz HDVQZYUMIXGJJJ-QGZVFWFLSA-N 2 2 333.476 1.859 20 0 EDADLP [NH3+]CCc1nc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cs1 ZINC000279883959 273336454 /nfs/dbraw/zinc/33/64/54/273336454.db2.gz GQMSFQBSYAMUIY-UHFFFAOYSA-N 2 2 345.472 1.960 20 0 EDADLP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1 ZINC000284282168 274145555 /nfs/dbraw/zinc/14/55/55/274145555.db2.gz HOOOYWACSDLWCK-UHFFFAOYSA-N 2 2 347.463 1.106 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000284414117 274193730 /nfs/dbraw/zinc/19/37/30/274193730.db2.gz XKEYSNWBHPJLIZ-HUUCEWRRSA-N 2 2 347.463 1.311 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000284414117 274193732 /nfs/dbraw/zinc/19/37/32/274193732.db2.gz XKEYSNWBHPJLIZ-HUUCEWRRSA-N 2 2 347.463 1.311 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365694463 276067947 /nfs/dbraw/zinc/06/79/47/276067947.db2.gz CBBYBPDRBNFEFG-MRXNPFEDSA-N 3 2 347.507 1.681 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365694463 276067948 /nfs/dbraw/zinc/06/79/48/276067948.db2.gz CBBYBPDRBNFEFG-MRXNPFEDSA-N 3 2 347.507 1.681 20 0 EDADLP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000346162042 276143481 /nfs/dbraw/zinc/14/34/81/276143481.db2.gz YJUWHTJADQHBGE-INIZCTEOSA-N 2 2 334.445 1.585 20 0 EDADLP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000346162042 276143482 /nfs/dbraw/zinc/14/34/82/276143482.db2.gz YJUWHTJADQHBGE-INIZCTEOSA-N 2 2 334.445 1.585 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363672125 276153030 /nfs/dbraw/zinc/15/30/30/276153030.db2.gz MPXWYZFQVHJSGJ-QZTJIDSGSA-N 2 2 336.524 1.347 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363672125 276153032 /nfs/dbraw/zinc/15/30/32/276153032.db2.gz MPXWYZFQVHJSGJ-QZTJIDSGSA-N 2 2 336.524 1.347 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)c4ccccc43)C2)CC1 ZINC000365127355 277028013 /nfs/dbraw/zinc/02/80/13/277028013.db2.gz UNFDDTKUZOTLAE-KDOFPFPSSA-N 2 2 341.455 1.641 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)c4ccccc43)C2)CC1 ZINC000365127355 277028014 /nfs/dbraw/zinc/02/80/14/277028014.db2.gz UNFDDTKUZOTLAE-KDOFPFPSSA-N 2 2 341.455 1.641 20 0 EDADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000343246720 277676752 /nfs/dbraw/zinc/67/67/52/277676752.db2.gz IMAPLLCGWPPQFR-JKSUJKDBSA-N 2 2 331.464 1.766 20 0 EDADLP C[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000121929321 278151707 /nfs/dbraw/zinc/15/17/07/278151707.db2.gz KSNIPCMDVBDXRQ-PBHICJAKSA-N 2 2 336.455 1.181 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000236671259 279176201 /nfs/dbraw/zinc/17/62/01/279176201.db2.gz HQZLFZJNKMWXRC-INIZCTEOSA-N 2 2 329.448 1.352 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127777145 279198774 /nfs/dbraw/zinc/19/87/74/279198774.db2.gz KKKZWMFAURYDBB-UHFFFAOYSA-N 2 2 347.507 1.625 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000332305643 288145462 /nfs/dbraw/zinc/14/54/62/288145462.db2.gz GSXMKUSQUFHUSL-CQSZACIVSA-N 2 2 345.447 1.321 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000332305643 288145463 /nfs/dbraw/zinc/14/54/63/288145463.db2.gz GSXMKUSQUFHUSL-CQSZACIVSA-N 2 2 345.447 1.321 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000287080768 288151969 /nfs/dbraw/zinc/15/19/69/288151969.db2.gz KOWZZDYILMSWRL-RDJZCZTQSA-N 2 2 327.432 1.845 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000287080768 288151971 /nfs/dbraw/zinc/15/19/71/288151971.db2.gz KOWZZDYILMSWRL-RDJZCZTQSA-N 2 2 327.432 1.845 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000378400384 288206216 /nfs/dbraw/zinc/20/62/16/288206216.db2.gz JAXMAUCLFFXLGJ-BZUAXINKSA-N 2 2 346.537 1.679 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000378400384 288206218 /nfs/dbraw/zinc/20/62/18/288206218.db2.gz JAXMAUCLFFXLGJ-BZUAXINKSA-N 2 2 346.537 1.679 20 0 EDADLP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnn1C(C)C ZINC000371402654 280216369 /nfs/dbraw/zinc/21/63/69/280216369.db2.gz ZMPGYCBZKWGUNZ-OAHLLOKOSA-N 2 2 333.480 1.671 20 0 EDADLP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C(C)C ZINC000371402654 280216374 /nfs/dbraw/zinc/21/63/74/280216374.db2.gz ZMPGYCBZKWGUNZ-OAHLLOKOSA-N 2 2 333.480 1.671 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000345047024 288267851 /nfs/dbraw/zinc/26/78/51/288267851.db2.gz QBEOYNHWAUGXPA-NCOADZHNSA-N 2 2 328.460 1.849 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000345047024 288267852 /nfs/dbraw/zinc/26/78/52/288267852.db2.gz QBEOYNHWAUGXPA-NCOADZHNSA-N 2 2 328.460 1.849 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)[C@@H](C)C1 ZINC000287776784 288320978 /nfs/dbraw/zinc/32/09/78/288320978.db2.gz IEQPIOJLEORMRL-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)[C@@H](C)C1 ZINC000287776784 288320980 /nfs/dbraw/zinc/32/09/80/288320980.db2.gz IEQPIOJLEORMRL-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)[C@@H](C)C1 ZINC000287776784 288320982 /nfs/dbraw/zinc/32/09/82/288320982.db2.gz IEQPIOJLEORMRL-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)[C@@H](C)C1 ZINC000287776784 288320984 /nfs/dbraw/zinc/32/09/84/288320984.db2.gz IEQPIOJLEORMRL-ZDUSSCGKSA-N 2 2 330.432 1.123 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000356351035 288346954 /nfs/dbraw/zinc/34/69/54/288346954.db2.gz JWDJVDPWQGOHGH-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000356351035 288346957 /nfs/dbraw/zinc/34/69/57/288346957.db2.gz JWDJVDPWQGOHGH-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@@H]2CCc3[nH+]ccn3C2)[nH+]cn1 ZINC000288064466 288394870 /nfs/dbraw/zinc/39/48/70/288394870.db2.gz ADEWAXKDFGYCKB-KBPBESRZSA-N 2 2 328.420 1.309 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC[C@@H]2CCc3[nH+]ccn3C2)nc[nH+]1 ZINC000288064466 288394873 /nfs/dbraw/zinc/39/48/73/288394873.db2.gz ADEWAXKDFGYCKB-KBPBESRZSA-N 2 2 328.420 1.309 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H](C)OC ZINC000291346414 289042483 /nfs/dbraw/zinc/04/24/83/289042483.db2.gz XHWJZDSUDJMXJG-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@@H](C)OC ZINC000291346414 289042484 /nfs/dbraw/zinc/04/24/84/289042484.db2.gz XHWJZDSUDJMXJG-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000186102746 289578284 /nfs/dbraw/zinc/57/82/84/289578284.db2.gz ZLHVOYCSZHRKFG-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP CO[C@H](C)CN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000376711651 294257026 /nfs/dbraw/zinc/25/70/26/294257026.db2.gz NPXOHTQHSUQZNB-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)CC2 ZINC000261845418 295039495 /nfs/dbraw/zinc/03/94/95/295039495.db2.gz QYOQPWYHEJIRDX-LJQANCHMSA-N 2 2 347.459 1.259 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)CC2 ZINC000261845418 295039496 /nfs/dbraw/zinc/03/94/96/295039496.db2.gz QYOQPWYHEJIRDX-LJQANCHMSA-N 2 2 347.459 1.259 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000262086772 295225690 /nfs/dbraw/zinc/22/56/90/295225690.db2.gz ULLAMURLRICFPH-KRWDZBQOSA-N 2 2 342.447 1.087 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000262086772 295225692 /nfs/dbraw/zinc/22/56/92/295225692.db2.gz ULLAMURLRICFPH-KRWDZBQOSA-N 2 2 342.447 1.087 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCO1 ZINC000355134618 297274374 /nfs/dbraw/zinc/27/43/74/297274374.db2.gz NLNFJABNCRHVMD-OAGGEKHMSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCO1 ZINC000355134618 297274375 /nfs/dbraw/zinc/27/43/75/297274375.db2.gz NLNFJABNCRHVMD-OAGGEKHMSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCOCC1 ZINC000356396390 298038518 /nfs/dbraw/zinc/03/85/18/298038518.db2.gz UNBUTAFBZILSNU-KZNAEPCWSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCOCC1 ZINC000356396390 298038520 /nfs/dbraw/zinc/03/85/20/298038520.db2.gz UNBUTAFBZILSNU-KZNAEPCWSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc(NC(=O)N(C)C[C@H](O)C[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000415465623 301349990 /nfs/dbraw/zinc/34/99/90/301349990.db2.gz SIHXHMNBFHBBQI-UKRRQHHQSA-N 2 2 335.452 1.552 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660344409 453232992 /nfs/dbraw/zinc/23/29/92/453232992.db2.gz BEJMHGBVKIACKD-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000416878783 301790847 /nfs/dbraw/zinc/79/08/47/301790847.db2.gz CIXNEXHGRGSLKL-NJAFHUGGSA-N 2 2 346.475 1.357 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(OCC2CCCCC2)CC1 ZINC000653081685 453262141 /nfs/dbraw/zinc/26/21/41/453262141.db2.gz XDWFDZRQKYNIAA-KRWDZBQOSA-N 2 2 325.497 1.853 20 0 EDADLP CCOc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000493419245 447326456 /nfs/dbraw/zinc/32/64/56/447326456.db2.gz IVWVRGCCBNWIIJ-VFADXPBXSA-N 2 2 333.432 1.208 20 0 EDADLP CCOc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000493419245 447326460 /nfs/dbraw/zinc/32/64/60/447326460.db2.gz IVWVRGCCBNWIIJ-VFADXPBXSA-N 2 2 333.432 1.208 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)NCC[N@@H+]2CCCOCC2)CC1(C)C ZINC000333296168 303010232 /nfs/dbraw/zinc/01/02/32/303010232.db2.gz BMDSFKMRYMJKTO-CQSZACIVSA-N 2 2 335.452 1.235 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)NCC[N@H+]2CCCOCC2)CC1(C)C ZINC000333296168 303010233 /nfs/dbraw/zinc/01/02/33/303010233.db2.gz BMDSFKMRYMJKTO-CQSZACIVSA-N 2 2 335.452 1.235 20 0 EDADLP Cn1c[nH+]cc1[C@H]1[C@H]([NH2+][C@@H]2CCCOCC2)CCC(=O)N1C1CC1 ZINC000329029321 303031706 /nfs/dbraw/zinc/03/17/06/303031706.db2.gz PCORXNHSBPRSDA-DDUZABMNSA-N 2 2 332.448 1.773 20 0 EDADLP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000294937916 303155276 /nfs/dbraw/zinc/15/52/76/303155276.db2.gz HUYQZFSFFPTYIH-HXUWFJFHSA-N 3 2 331.504 1.868 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000295502622 303227358 /nfs/dbraw/zinc/22/73/58/303227358.db2.gz PHQVLIRLMFMROD-GOSISDBHSA-N 2 2 342.443 1.508 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000295502622 303227360 /nfs/dbraw/zinc/22/73/60/303227360.db2.gz PHQVLIRLMFMROD-GOSISDBHSA-N 2 2 342.443 1.508 20 0 EDADLP COC(=O)COC[C@H](C)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000295588823 303238652 /nfs/dbraw/zinc/23/86/52/303238652.db2.gz FANSDOVGUJSMPP-ZFWWWQNUSA-N 2 2 336.436 1.212 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000295838183 303274001 /nfs/dbraw/zinc/27/40/01/303274001.db2.gz VSBIMIHCOLYTQY-MRXNPFEDSA-N 2 2 349.475 1.606 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)nc[nH+]1 ZINC000298442959 303523264 /nfs/dbraw/zinc/52/32/64/303523264.db2.gz XRTFJIMAZDNPRQ-HUUCEWRRSA-N 2 2 342.447 1.548 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000261617562 303590240 /nfs/dbraw/zinc/59/02/40/303590240.db2.gz AHSTWKABMOEWNJ-LSDHHAIUSA-N 2 2 337.489 1.627 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000299499317 303622435 /nfs/dbraw/zinc/62/24/35/303622435.db2.gz SCISHDAOXQNYMH-CYBMUJFWSA-N 2 2 342.399 1.879 20 0 EDADLP O=C(CCn1cc[nH+]c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299611221 303637053 /nfs/dbraw/zinc/63/70/53/303637053.db2.gz OMBXHEGYMLRAJC-QGZVFWFLSA-N 2 2 328.416 1.463 20 0 EDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000299651470 303643112 /nfs/dbraw/zinc/64/31/12/303643112.db2.gz KSWZWIUHLBHLOQ-QGZVFWFLSA-N 2 2 341.459 1.600 20 0 EDADLP CNc1nc(N2CCO[C@H](C[NH+](C)C)C2)[nH+]cc1Br ZINC000302100236 303712763 /nfs/dbraw/zinc/71/27/63/303712763.db2.gz LBQWEHXJVSHVBZ-SECBINFHSA-N 2 2 330.230 1.048 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc(C)[nH+]1 ZINC000422085877 447340339 /nfs/dbraw/zinc/34/03/39/447340339.db2.gz NIFLSSQOCXOKPU-HOTGVXAUSA-N 2 2 330.432 1.058 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc(C)[nH+]1 ZINC000422085877 447340342 /nfs/dbraw/zinc/34/03/42/447340342.db2.gz NIFLSSQOCXOKPU-HOTGVXAUSA-N 2 2 330.432 1.058 20 0 EDADLP CO[C@](C)([C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000411945229 303941550 /nfs/dbraw/zinc/94/15/50/303941550.db2.gz KKJMWQZRHXJTFA-RDTXWAMCSA-N 2 2 341.496 1.007 20 0 EDADLP Cc1ccc(CC[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000377764614 447343181 /nfs/dbraw/zinc/34/31/81/447343181.db2.gz VEFOYJRLNHUTLX-ICSRJNTNSA-N 2 2 331.504 1.874 20 0 EDADLP Cc1ccc(CC[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cc1 ZINC000377764614 447343187 /nfs/dbraw/zinc/34/31/87/447343187.db2.gz VEFOYJRLNHUTLX-ICSRJNTNSA-N 2 2 331.504 1.874 20 0 EDADLP Cc1ccc(CC[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cc1 ZINC000377764614 447343201 /nfs/dbraw/zinc/34/32/01/447343201.db2.gz VEFOYJRLNHUTLX-ICSRJNTNSA-N 2 2 331.504 1.874 20 0 EDADLP COCCCOc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423000677 304882868 /nfs/dbraw/zinc/88/28/68/304882868.db2.gz HCOAZRPNFYCFRO-RBUKOAKNSA-N 2 2 334.460 1.959 20 0 EDADLP COC[C@@]1(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC[NH2+]C1 ZINC000423815165 304909925 /nfs/dbraw/zinc/90/99/25/304909925.db2.gz HWDXMTDDCKZXKC-RHSMWYFYSA-N 2 2 337.489 1.579 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000423933781 304919114 /nfs/dbraw/zinc/91/91/14/304919114.db2.gz XESJZPNBHKQAGT-HUUCEWRRSA-N 2 2 332.448 1.517 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428038049 305004976 /nfs/dbraw/zinc/00/49/76/305004976.db2.gz METWIEIEVAUYHN-CRAIPNDOSA-N 2 2 347.459 1.264 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428038049 305004977 /nfs/dbraw/zinc/00/49/77/305004977.db2.gz METWIEIEVAUYHN-CRAIPNDOSA-N 2 2 347.459 1.264 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428039019 305005064 /nfs/dbraw/zinc/00/50/64/305005064.db2.gz BKXOVHSROHVJOW-SJLPKXTDSA-N 2 2 331.460 1.774 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428039019 305005065 /nfs/dbraw/zinc/00/50/65/305005065.db2.gz BKXOVHSROHVJOW-SJLPKXTDSA-N 2 2 331.460 1.774 20 0 EDADLP CC[C@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000428965305 305021209 /nfs/dbraw/zinc/02/12/09/305021209.db2.gz HBRAVJKMGRVWIO-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000428965305 305021210 /nfs/dbraw/zinc/02/12/10/305021210.db2.gz HBRAVJKMGRVWIO-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000430221943 305047900 /nfs/dbraw/zinc/04/79/00/305047900.db2.gz SNHMTSLCOHHOSL-AWEZNQCLSA-N 2 2 334.445 1.442 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000430221943 305047901 /nfs/dbraw/zinc/04/79/01/305047901.db2.gz SNHMTSLCOHHOSL-AWEZNQCLSA-N 2 2 334.445 1.442 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCCc1nc2ccccc2s1 ZINC000430573849 305056620 /nfs/dbraw/zinc/05/66/20/305056620.db2.gz RLHYNTRGKJFPRB-QGZVFWFLSA-N 2 2 334.489 1.918 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430583332 305057117 /nfs/dbraw/zinc/05/71/17/305057117.db2.gz XVAWBKUAMJTPDZ-ZIAGYGMSSA-N 2 2 339.867 1.894 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430583332 305057118 /nfs/dbraw/zinc/05/71/18/305057118.db2.gz XVAWBKUAMJTPDZ-ZIAGYGMSSA-N 2 2 339.867 1.894 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)C1CC[NH2+]CC1 ZINC000430614356 305059037 /nfs/dbraw/zinc/05/90/37/305059037.db2.gz YJPQERVVKPZHOF-UHFFFAOYSA-N 2 2 327.375 1.588 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)C1CC[NH2+]CC1 ZINC000430614356 305059038 /nfs/dbraw/zinc/05/90/38/305059038.db2.gz YJPQERVVKPZHOF-UHFFFAOYSA-N 2 2 327.375 1.588 20 0 EDADLP COc1cc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc(OC)c1OC ZINC000430617134 305059393 /nfs/dbraw/zinc/05/93/93/305059393.db2.gz KFFKAGVVACUULM-UHFFFAOYSA-N 2 2 337.420 1.335 20 0 EDADLP COc1cc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc(OC)c1OC ZINC000430617134 305059394 /nfs/dbraw/zinc/05/93/94/305059394.db2.gz KFFKAGVVACUULM-UHFFFAOYSA-N 2 2 337.420 1.335 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)C2CC2)cc1 ZINC000430626259 305060033 /nfs/dbraw/zinc/06/00/33/305060033.db2.gz LGWQPDXAKWCJGN-UHFFFAOYSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)C2CC2)cc1 ZINC000430626259 305060034 /nfs/dbraw/zinc/06/00/34/305060034.db2.gz LGWQPDXAKWCJGN-UHFFFAOYSA-N 2 2 331.460 1.870 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430638144 305060631 /nfs/dbraw/zinc/06/06/31/305060631.db2.gz CGGYHKIZRVNGKV-HOTGVXAUSA-N 2 2 346.475 1.417 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430638144 305060632 /nfs/dbraw/zinc/06/06/32/305060632.db2.gz CGGYHKIZRVNGKV-HOTGVXAUSA-N 2 2 346.475 1.417 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430650560 305061148 /nfs/dbraw/zinc/06/11/48/305061148.db2.gz KGCXARZLWDPWBQ-MRXNPFEDSA-N 2 2 348.466 1.406 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430650560 305061149 /nfs/dbraw/zinc/06/11/49/305061149.db2.gz KGCXARZLWDPWBQ-MRXNPFEDSA-N 2 2 348.466 1.406 20 0 EDADLP C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC([NH3+])CC1 ZINC000430665832 305061934 /nfs/dbraw/zinc/06/19/34/305061934.db2.gz MYRUAPDBZREJGL-ZDUSSCGKSA-N 2 2 339.867 1.989 20 0 EDADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000430745609 305063970 /nfs/dbraw/zinc/06/39/70/305063970.db2.gz YHVALPDEFFBDHR-IRXDYDNUSA-N 2 2 346.475 1.832 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)c1csc(C[NH3+])n1)C2 ZINC000430873815 305066639 /nfs/dbraw/zinc/06/66/39/305066639.db2.gz XDSKHCQJZJMQKG-SNVBAGLBSA-N 2 2 333.461 1.841 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000430931520 305068770 /nfs/dbraw/zinc/06/87/70/305068770.db2.gz WNIQEZJPBQVPNX-IEBWSBKVSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000430931520 305068771 /nfs/dbraw/zinc/06/87/71/305068771.db2.gz WNIQEZJPBQVPNX-IEBWSBKVSA-N 3 2 344.503 1.308 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000430933138 305069122 /nfs/dbraw/zinc/06/91/22/305069122.db2.gz HEDLGIHLHYQASJ-CZUORRHYSA-N 2 2 339.867 1.846 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000430933138 305069123 /nfs/dbraw/zinc/06/91/23/305069123.db2.gz HEDLGIHLHYQASJ-CZUORRHYSA-N 2 2 339.867 1.846 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000430973071 305071746 /nfs/dbraw/zinc/07/17/46/305071746.db2.gz VMXZYSRRCGDIAA-SWLSCSKDSA-N 2 2 325.840 1.504 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000430973071 305071747 /nfs/dbraw/zinc/07/17/47/305071747.db2.gz VMXZYSRRCGDIAA-SWLSCSKDSA-N 2 2 325.840 1.504 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431070662 305074244 /nfs/dbraw/zinc/07/42/44/305074244.db2.gz LUNKIHCBWKLEFP-CYBMUJFWSA-N 3 2 325.457 1.196 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431070662 305074245 /nfs/dbraw/zinc/07/42/45/305074245.db2.gz LUNKIHCBWKLEFP-CYBMUJFWSA-N 3 2 325.457 1.196 20 0 EDADLP C[NH+](C)CCCC1CC[NH+](Cc2nnnn2C2CCOCC2)CC1 ZINC000433271748 305104366 /nfs/dbraw/zinc/10/43/66/305104366.db2.gz NPCBUVNRUDJNIS-UHFFFAOYSA-N 2 2 336.484 1.578 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000433978233 305116362 /nfs/dbraw/zinc/11/63/62/305116362.db2.gz ZILMVMYKJSHGJL-MRXNPFEDSA-N 2 2 326.485 1.225 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000434280847 305119579 /nfs/dbraw/zinc/11/95/79/305119579.db2.gz OIXBPRKXEJZYBE-CABCVRRESA-N 2 2 328.501 1.325 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000434292230 305119818 /nfs/dbraw/zinc/11/98/18/305119818.db2.gz KKFYAGIVRUFCCA-DLBZAZTESA-N 2 2 340.512 1.326 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000434292230 305119819 /nfs/dbraw/zinc/11/98/19/305119819.db2.gz KKFYAGIVRUFCCA-DLBZAZTESA-N 2 2 340.512 1.326 20 0 EDADLP CC1=CC[NH+](CCNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000434385101 305121296 /nfs/dbraw/zinc/12/12/96/305121296.db2.gz FYSQRTJFCQCYRL-UHFFFAOYSA-N 2 2 338.496 1.391 20 0 EDADLP CC1=CC[NH+](CCNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000434385101 305121297 /nfs/dbraw/zinc/12/12/97/305121297.db2.gz FYSQRTJFCQCYRL-UHFFFAOYSA-N 2 2 338.496 1.391 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC1 ZINC000434385101 305121298 /nfs/dbraw/zinc/12/12/98/305121298.db2.gz FYSQRTJFCQCYRL-UHFFFAOYSA-N 2 2 338.496 1.391 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)CC1 ZINC000434385101 305121299 /nfs/dbraw/zinc/12/12/99/305121299.db2.gz FYSQRTJFCQCYRL-UHFFFAOYSA-N 2 2 338.496 1.391 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491684 305123528 /nfs/dbraw/zinc/12/35/28/305123528.db2.gz CXWKLJRWINHPHY-HOCLYGCPSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491684 305123529 /nfs/dbraw/zinc/12/35/29/305123529.db2.gz CXWKLJRWINHPHY-HOCLYGCPSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491684 305123530 /nfs/dbraw/zinc/12/35/30/305123530.db2.gz CXWKLJRWINHPHY-HOCLYGCPSA-N 2 2 348.516 1.969 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000434491684 305123531 /nfs/dbraw/zinc/12/35/31/305123531.db2.gz CXWKLJRWINHPHY-HOCLYGCPSA-N 2 2 348.516 1.969 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000434676848 305127311 /nfs/dbraw/zinc/12/73/11/305127311.db2.gz TWDCACASRDCGTQ-ZBFHGGJFSA-N 2 2 325.497 1.722 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000434676848 305127312 /nfs/dbraw/zinc/12/73/12/305127312.db2.gz TWDCACASRDCGTQ-ZBFHGGJFSA-N 2 2 325.497 1.722 20 0 EDADLP CC[C@@H]1CC[C@@H](C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)O1 ZINC000435568721 305142654 /nfs/dbraw/zinc/14/26/54/305142654.db2.gz VEPGKCKTZWROHU-OWCLPIDISA-N 2 2 346.475 1.848 20 0 EDADLP C[N@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000435622082 305143719 /nfs/dbraw/zinc/14/37/19/305143719.db2.gz BXCWGSVFICAVCS-ROUUACIJSA-N 2 2 344.503 1.703 20 0 EDADLP C[N@@H+](CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000435622082 305143720 /nfs/dbraw/zinc/14/37/20/305143720.db2.gz BXCWGSVFICAVCS-ROUUACIJSA-N 2 2 344.503 1.703 20 0 EDADLP CCCCNC(=O)CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435697253 305145793 /nfs/dbraw/zinc/14/57/93/305145793.db2.gz RSQZRTROPPDWOM-HNNXBMFYSA-N 2 2 333.480 1.281 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436052208 305151392 /nfs/dbraw/zinc/15/13/92/305151392.db2.gz NLXNDUJZEIRYKD-KRWDZBQOSA-N 2 2 346.475 1.561 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436052208 305151393 /nfs/dbraw/zinc/15/13/93/305151393.db2.gz NLXNDUJZEIRYKD-KRWDZBQOSA-N 2 2 346.475 1.561 20 0 EDADLP C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442953407 305231977 /nfs/dbraw/zinc/23/19/77/305231977.db2.gz AKVMXLOKJYSQTG-AWEZNQCLSA-N 2 2 336.461 1.550 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc[nH+]c3ccncc23)CC1 ZINC000444082518 305243524 /nfs/dbraw/zinc/24/35/24/305243524.db2.gz HIXFATCZECTCBS-UHFFFAOYSA-N 2 2 327.432 1.406 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000446268871 305262206 /nfs/dbraw/zinc/26/22/06/305262206.db2.gz IEQOOGWKEHIQPF-HBUWYVDXSA-N 2 2 332.448 1.648 20 0 EDADLP CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12COC2 ZINC000449356965 305312429 /nfs/dbraw/zinc/31/24/29/305312429.db2.gz DAPBJHBPGMVUHZ-KRWDZBQOSA-N 2 2 341.411 1.884 20 0 EDADLP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12COC2 ZINC000449356965 305312430 /nfs/dbraw/zinc/31/24/30/305312430.db2.gz DAPBJHBPGMVUHZ-KRWDZBQOSA-N 2 2 341.411 1.884 20 0 EDADLP C[C@@H](C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)CS(C)(=O)=O ZINC000451032383 305331750 /nfs/dbraw/zinc/33/17/50/305331750.db2.gz YUYSGYQTMZOAQM-KBPBESRZSA-N 2 2 341.477 1.281 20 0 EDADLP C[C@@H](C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1)CS(C)(=O)=O ZINC000451032383 305331751 /nfs/dbraw/zinc/33/17/51/305331751.db2.gz YUYSGYQTMZOAQM-KBPBESRZSA-N 2 2 341.477 1.281 20 0 EDADLP CS[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000451312964 305338304 /nfs/dbraw/zinc/33/83/04/305338304.db2.gz LASXWJXTYWCJSV-AWEZNQCLSA-N 2 2 339.530 1.830 20 0 EDADLP CS[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000451312964 305338305 /nfs/dbraw/zinc/33/83/05/305338305.db2.gz LASXWJXTYWCJSV-AWEZNQCLSA-N 2 2 339.530 1.830 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000492493699 305593247 /nfs/dbraw/zinc/59/32/47/305593247.db2.gz OOAFHJXPLIGHEF-AATRIKPKSA-N 2 2 329.404 1.890 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000493774045 305626238 /nfs/dbraw/zinc/62/62/38/305626238.db2.gz YJYKNFUPLBDBDH-UZYOAWRESA-N 2 2 343.431 1.087 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000514866824 305708422 /nfs/dbraw/zinc/70/84/22/305708422.db2.gz XUCOQILOHXLMPL-GOSISDBHSA-N 2 2 348.487 1.561 20 0 EDADLP [NH3+][C@@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1c(F)cccc1F ZINC000519634431 305771636 /nfs/dbraw/zinc/77/16/36/305771636.db2.gz KECDIEKVJMZUTA-QLJPJBMISA-N 2 2 332.354 1.814 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCc1cc(F)cc(F)c1 ZINC000521639534 305791333 /nfs/dbraw/zinc/79/13/33/305791333.db2.gz HLPFXGZNNIQNML-UHFFFAOYSA-N 2 2 335.358 1.126 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532173609 305976099 /nfs/dbraw/zinc/97/60/99/305976099.db2.gz XCVGCZKQQIHJEA-DLBZAZTESA-N 2 2 349.479 1.606 20 0 EDADLP CC1(C)CCC[C@H](C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000533564873 306001069 /nfs/dbraw/zinc/00/10/69/306001069.db2.gz MLVQLHOXBDAMEV-DLBZAZTESA-N 2 2 337.508 1.726 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000535061833 306011845 /nfs/dbraw/zinc/01/18/45/306011845.db2.gz PBOVTHAXGKTMRG-CQSZACIVSA-N 2 2 334.420 1.221 20 0 EDADLP CC1(C)NC(=O)N(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1=O ZINC000535575447 306014378 /nfs/dbraw/zinc/01/43/78/306014378.db2.gz MZNSBWDGCDHXCR-UHFFFAOYSA-N 2 2 331.420 1.288 20 0 EDADLP Cc1[nH]c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c[nH+]1 ZINC000542013795 306050639 /nfs/dbraw/zinc/05/06/39/306050639.db2.gz QIANQAOFNFRRGQ-MRXNPFEDSA-N 2 2 328.416 1.605 20 0 EDADLP O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542311097 306053051 /nfs/dbraw/zinc/05/30/51/306053051.db2.gz LABRBEKMDJYAPP-CQSZACIVSA-N 2 2 325.459 1.991 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000547629781 306105707 /nfs/dbraw/zinc/10/57/07/306105707.db2.gz ZXBXXRVEPNJASS-JKSUJKDBSA-N 2 2 345.422 1.939 20 0 EDADLP CCN1CCN(C(=O)NCCCCn2cc[nH+]c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000547686112 306107984 /nfs/dbraw/zinc/10/79/84/306107984.db2.gz SFHMFQZRKGDIKS-HNNXBMFYSA-N 2 2 345.451 1.475 20 0 EDADLP CC[C@@]1(O)CC[N@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000548627805 306132894 /nfs/dbraw/zinc/13/28/94/306132894.db2.gz ADIMQZYZOLQPFC-MRXNPFEDSA-N 2 2 338.477 1.524 20 0 EDADLP CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000548627805 306132895 /nfs/dbraw/zinc/13/28/95/306132895.db2.gz ADIMQZYZOLQPFC-MRXNPFEDSA-N 2 2 338.477 1.524 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000657092885 453676483 /nfs/dbraw/zinc/67/64/83/453676483.db2.gz QCDSORVFYAQGML-UHFFFAOYSA-N 2 2 331.457 1.129 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000657092885 453676490 /nfs/dbraw/zinc/67/64/90/453676490.db2.gz QCDSORVFYAQGML-UHFFFAOYSA-N 2 2 331.457 1.129 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000458592219 447424739 /nfs/dbraw/zinc/42/47/39/447424739.db2.gz YYVRPYWHUPNEKO-HOTGVXAUSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)CCC2 ZINC000458592219 447424743 /nfs/dbraw/zinc/42/47/43/447424743.db2.gz YYVRPYWHUPNEKO-HOTGVXAUSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000070010732 441103487 /nfs/dbraw/zinc/10/34/87/441103487.db2.gz QNJCKZXJLWQJRX-MOPGFXCFSA-N 2 2 348.487 1.779 20 0 EDADLP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000070010732 441103489 /nfs/dbraw/zinc/10/34/89/441103489.db2.gz QNJCKZXJLWQJRX-MOPGFXCFSA-N 2 2 348.487 1.779 20 0 EDADLP CC1CC[NH+](CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000046370025 441104352 /nfs/dbraw/zinc/10/43/52/441104352.db2.gz OEDKYWZONCQYGU-UHFFFAOYSA-N 2 2 334.464 1.839 20 0 EDADLP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000057169269 441095068 /nfs/dbraw/zinc/09/50/68/441095068.db2.gz TYKBUXFRJMJMLR-QGZVFWFLSA-N 2 2 345.487 1.736 20 0 EDADLP CCCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000070947357 441128562 /nfs/dbraw/zinc/12/85/62/441128562.db2.gz HBIPXFGKNAGNNO-UHFFFAOYSA-N 2 2 333.476 1.425 20 0 EDADLP CCCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000070947357 441128567 /nfs/dbraw/zinc/12/85/67/441128567.db2.gz HBIPXFGKNAGNNO-UHFFFAOYSA-N 2 2 333.476 1.425 20 0 EDADLP C[N@H+](CCO)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000070924511 441127308 /nfs/dbraw/zinc/12/73/08/441127308.db2.gz XRFXQDVHTCZITH-INIZCTEOSA-N 2 2 339.867 1.517 20 0 EDADLP C[N@@H+](CCO)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000070924511 441127311 /nfs/dbraw/zinc/12/73/11/441127311.db2.gz XRFXQDVHTCZITH-INIZCTEOSA-N 2 2 339.867 1.517 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000080084281 441139798 /nfs/dbraw/zinc/13/97/98/441139798.db2.gz PZUBFXYZQRYWEH-UHFFFAOYSA-N 2 2 342.443 1.774 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000101976246 441164477 /nfs/dbraw/zinc/16/44/77/441164477.db2.gz REHVSOZGUXZNBZ-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000101976246 441164481 /nfs/dbraw/zinc/16/44/81/441164481.db2.gz REHVSOZGUXZNBZ-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000103492455 441182988 /nfs/dbraw/zinc/18/29/88/441182988.db2.gz QGKHEHAWDCZVGV-HZPDHXFCSA-N 2 2 340.512 1.166 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000105127483 441235734 /nfs/dbraw/zinc/23/57/34/441235734.db2.gz MJROLWRCDTYJFK-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000105127483 441235737 /nfs/dbraw/zinc/23/57/37/441235737.db2.gz MJROLWRCDTYJFK-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000080933496 441208887 /nfs/dbraw/zinc/20/88/87/441208887.db2.gz XPFGAXVQAVLLEB-LBPRGKRZSA-N 2 2 328.372 1.957 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000080933496 441208893 /nfs/dbraw/zinc/20/88/93/441208893.db2.gz XPFGAXVQAVLLEB-LBPRGKRZSA-N 2 2 328.372 1.957 20 0 EDADLP C[N@H+](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000080947375 441211000 /nfs/dbraw/zinc/21/10/00/441211000.db2.gz NQYURKPXUZWIRD-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000080947375 441211004 /nfs/dbraw/zinc/21/10/04/441211004.db2.gz NQYURKPXUZWIRD-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1Cl ZINC000081410648 441264629 /nfs/dbraw/zinc/26/46/29/441264629.db2.gz PRXUDISVVOGZBG-OAHLLOKOSA-N 2 2 341.839 1.550 20 0 EDADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1Cl ZINC000081410648 441264633 /nfs/dbraw/zinc/26/46/33/441264633.db2.gz PRXUDISVVOGZBG-OAHLLOKOSA-N 2 2 341.839 1.550 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000063512602 441334775 /nfs/dbraw/zinc/33/47/75/441334775.db2.gz DUABZPMDIYLHRJ-GOSISDBHSA-N 2 2 331.460 1.096 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000063512602 441334779 /nfs/dbraw/zinc/33/47/79/441334779.db2.gz DUABZPMDIYLHRJ-GOSISDBHSA-N 2 2 331.460 1.096 20 0 EDADLP CC[NH+]1CCC(NC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000106387488 441336095 /nfs/dbraw/zinc/33/60/95/441336095.db2.gz ROFDHQBXFWPSPW-UHFFFAOYSA-N 2 2 347.507 1.502 20 0 EDADLP CCOC(=O)C[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)CC(C)C ZINC000065223776 441408393 /nfs/dbraw/zinc/40/83/93/441408393.db2.gz AMFHIOXSYBWCRE-UHFFFAOYSA-N 2 2 327.469 1.108 20 0 EDADLP CCOC(=O)C[N@H+](CC(=O)NC1CC[NH+](CC)CC1)CC(C)C ZINC000065223776 441408398 /nfs/dbraw/zinc/40/83/98/441408398.db2.gz AMFHIOXSYBWCRE-UHFFFAOYSA-N 2 2 327.469 1.108 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000066045604 441500375 /nfs/dbraw/zinc/50/03/75/441500375.db2.gz ZMUKWYABSJRHHZ-UHFFFAOYSA-N 2 2 332.492 1.262 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000066045604 441500378 /nfs/dbraw/zinc/50/03/78/441500378.db2.gz ZMUKWYABSJRHHZ-UHFFFAOYSA-N 2 2 332.492 1.262 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000066045604 441500379 /nfs/dbraw/zinc/50/03/79/441500379.db2.gz ZMUKWYABSJRHHZ-UHFFFAOYSA-N 2 2 332.492 1.262 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000066045604 441500382 /nfs/dbraw/zinc/50/03/82/441500382.db2.gz ZMUKWYABSJRHHZ-UHFFFAOYSA-N 2 2 332.492 1.262 20 0 EDADLP CCC[N@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000053094714 441497158 /nfs/dbraw/zinc/49/71/58/441497158.db2.gz UCBSLKQKNZYCFY-UHFFFAOYSA-N 2 2 335.448 1.162 20 0 EDADLP CCC[N@@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000053094714 441497162 /nfs/dbraw/zinc/49/71/62/441497162.db2.gz UCBSLKQKNZYCFY-UHFFFAOYSA-N 2 2 335.448 1.162 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000108555987 441463585 /nfs/dbraw/zinc/46/35/85/441463585.db2.gz ZDQDVEGULTVVBJ-OAHLLOKOSA-N 2 2 331.464 1.691 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000108555987 441463588 /nfs/dbraw/zinc/46/35/88/441463588.db2.gz ZDQDVEGULTVVBJ-OAHLLOKOSA-N 2 2 331.464 1.691 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CCCOCC2)([NH+]2CCCCC2)CC1 ZINC000074768160 441465108 /nfs/dbraw/zinc/46/51/08/441465108.db2.gz DFSCWNDJQQHXPU-UHFFFAOYSA-N 2 2 338.496 1.369 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CCn3cccn3)c2cc1C ZINC000111281541 441531180 /nfs/dbraw/zinc/53/11/80/441531180.db2.gz KRTQRGJAZGCGIJ-MRXNPFEDSA-N 2 2 327.432 1.843 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CCn3cccn3)c2cc1C ZINC000111281541 441531187 /nfs/dbraw/zinc/53/11/87/441531187.db2.gz KRTQRGJAZGCGIJ-MRXNPFEDSA-N 2 2 327.432 1.843 20 0 EDADLP COC1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000053897819 441547821 /nfs/dbraw/zinc/54/78/21/441547821.db2.gz ZEDGVAANTZEYGK-UHFFFAOYSA-N 2 2 347.459 1.568 20 0 EDADLP C[C@@H]1C[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)S1 ZINC000075893328 441565754 /nfs/dbraw/zinc/56/57/54/441565754.db2.gz JWQQHRYSMKKNLB-HZPDHXFCSA-N 2 2 348.516 1.946 20 0 EDADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000089592320 441561955 /nfs/dbraw/zinc/56/19/55/441561955.db2.gz ZTQKPBIERRWWFS-SFHVURJKSA-N 2 2 333.476 1.591 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076083763 441594868 /nfs/dbraw/zinc/59/48/68/441594868.db2.gz MRAFAYZUYWDPJW-NSHDSACASA-N 2 2 335.374 1.975 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076083763 441594871 /nfs/dbraw/zinc/59/48/71/441594871.db2.gz MRAFAYZUYWDPJW-NSHDSACASA-N 2 2 335.374 1.975 20 0 EDADLP Cn1cc([C@H](CO)[NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000090885422 441645565 /nfs/dbraw/zinc/64/55/65/441645565.db2.gz ZMHWHMLYZQUCLJ-SFHVURJKSA-N 2 2 332.423 1.847 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)c[nH+]2)CCO1 ZINC000137183382 441753321 /nfs/dbraw/zinc/75/33/21/441753321.db2.gz WBUDZKHVXCVSAB-ZBFHGGJFSA-N 2 2 344.459 1.313 20 0 EDADLP COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1C ZINC000091632003 441722892 /nfs/dbraw/zinc/72/28/92/441722892.db2.gz BZIKFAGAUWJOKO-CYBMUJFWSA-N 2 2 332.404 1.991 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739148 441775711 /nfs/dbraw/zinc/77/57/11/441775711.db2.gz ZPUVWPCZQBXZDO-IXDOHACOSA-N 2 2 339.524 1.943 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739148 441775717 /nfs/dbraw/zinc/77/57/17/441775717.db2.gz ZPUVWPCZQBXZDO-IXDOHACOSA-N 2 2 339.524 1.943 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077488387 441791622 /nfs/dbraw/zinc/79/16/22/441791622.db2.gz FMTOCRALCFNCIR-UHFFFAOYSA-N 2 2 339.403 1.589 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000159294907 441800844 /nfs/dbraw/zinc/80/08/44/441800844.db2.gz PCDBJIZIHOMABH-MRXNPFEDSA-N 2 2 333.476 1.434 20 0 EDADLP CC(C)(CNC(=O)NCCCNc1cccc[nH+]1)[NH+]1CCOCC1 ZINC000043160787 441823722 /nfs/dbraw/zinc/82/37/22/441823722.db2.gz CVPZJGZICIRSTL-UHFFFAOYSA-N 2 2 335.452 1.294 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000139815382 441827214 /nfs/dbraw/zinc/82/72/14/441827214.db2.gz LEAAMGGDEFZTHZ-CRAIPNDOSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139815382 441827219 /nfs/dbraw/zinc/82/72/19/441827219.db2.gz LEAAMGGDEFZTHZ-CRAIPNDOSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139815382 441827225 /nfs/dbraw/zinc/82/72/25/441827225.db2.gz LEAAMGGDEFZTHZ-CRAIPNDOSA-N 2 2 344.459 2.000 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139815382 441827231 /nfs/dbraw/zinc/82/72/31/441827231.db2.gz LEAAMGGDEFZTHZ-CRAIPNDOSA-N 2 2 344.459 2.000 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000140094402 441832436 /nfs/dbraw/zinc/83/24/36/441832436.db2.gz FDONYLPPAHHUAK-USXIJHARSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000140094402 441832441 /nfs/dbraw/zinc/83/24/41/441832441.db2.gz FDONYLPPAHHUAK-USXIJHARSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000140094402 441832445 /nfs/dbraw/zinc/83/24/45/441832445.db2.gz FDONYLPPAHHUAK-USXIJHARSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000140094402 441832452 /nfs/dbraw/zinc/83/24/52/441832452.db2.gz FDONYLPPAHHUAK-USXIJHARSA-N 2 2 344.459 1.556 20 0 EDADLP C[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCCC1 ZINC000122463982 441851471 /nfs/dbraw/zinc/85/14/71/441851471.db2.gz XLYHJWWHPPOCGV-JKSUJKDBSA-N 2 2 331.464 1.691 20 0 EDADLP C[N@H+](CCNS(=O)(=O)c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842813 441907099 /nfs/dbraw/zinc/90/70/99/441907099.db2.gz SUNZXDMLSODIEQ-HNNXBMFYSA-N 2 2 325.478 1.239 20 0 EDADLP C[N@@H+](CCNS(=O)(=O)c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842813 441907102 /nfs/dbraw/zinc/90/71/02/441907102.db2.gz SUNZXDMLSODIEQ-HNNXBMFYSA-N 2 2 325.478 1.239 20 0 EDADLP C[NH+](CCNS(=O)(=O)c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842813 441907107 /nfs/dbraw/zinc/90/71/07/441907107.db2.gz SUNZXDMLSODIEQ-HNNXBMFYSA-N 2 2 325.478 1.239 20 0 EDADLP C[NH+](CCNS(=O)(=O)c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842813 441907109 /nfs/dbraw/zinc/90/71/09/441907109.db2.gz SUNZXDMLSODIEQ-HNNXBMFYSA-N 2 2 325.478 1.239 20 0 EDADLP CCS(=O)(=O)NCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000119011316 441913884 /nfs/dbraw/zinc/91/38/84/441913884.db2.gz BIKQPHVJLXAXJT-UHFFFAOYSA-N 2 2 327.494 1.426 20 0 EDADLP CCS(=O)(=O)NCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000119011316 441913890 /nfs/dbraw/zinc/91/38/90/441913890.db2.gz BIKQPHVJLXAXJT-UHFFFAOYSA-N 2 2 327.494 1.426 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000119235113 441923966 /nfs/dbraw/zinc/92/39/66/441923966.db2.gz GQGIEAVXAJMGDJ-DZGCQCFKSA-N 2 2 340.431 1.692 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000119235113 441923975 /nfs/dbraw/zinc/92/39/75/441923975.db2.gz GQGIEAVXAJMGDJ-DZGCQCFKSA-N 2 2 340.431 1.692 20 0 EDADLP CCOCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000093312534 441876315 /nfs/dbraw/zinc/87/63/15/441876315.db2.gz HZJCXEDKEXQSMN-UHFFFAOYSA-N 2 2 325.478 1.361 20 0 EDADLP CCOCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000093312534 441876321 /nfs/dbraw/zinc/87/63/21/441876321.db2.gz HZJCXEDKEXQSMN-UHFFFAOYSA-N 2 2 325.478 1.361 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCc2ccccn2)C1 ZINC000123809606 441900246 /nfs/dbraw/zinc/90/02/46/441900246.db2.gz RKYWUXAGYZTKOD-GOSISDBHSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCc2ccccn2)C1 ZINC000123809606 441900247 /nfs/dbraw/zinc/90/02/47/441900247.db2.gz RKYWUXAGYZTKOD-GOSISDBHSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCc2ccccn2)C1 ZINC000123809606 441900248 /nfs/dbraw/zinc/90/02/48/441900248.db2.gz RKYWUXAGYZTKOD-GOSISDBHSA-N 2 2 348.491 1.029 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCc2ccccn2)C1 ZINC000123809606 441900249 /nfs/dbraw/zinc/90/02/49/441900249.db2.gz RKYWUXAGYZTKOD-GOSISDBHSA-N 2 2 348.491 1.029 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC ZINC000150840622 441960449 /nfs/dbraw/zinc/96/04/49/441960449.db2.gz CNGNNERNPSZKGX-UXLLHSPISA-N 2 2 339.480 1.108 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC ZINC000150840622 441960456 /nfs/dbraw/zinc/96/04/56/441960456.db2.gz CNGNNERNPSZKGX-UXLLHSPISA-N 2 2 339.480 1.108 20 0 EDADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000069608411 441989526 /nfs/dbraw/zinc/98/95/26/441989526.db2.gz HJDXLARRLFOYLS-QZTJIDSGSA-N 2 2 333.476 1.470 20 0 EDADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000069608411 441989532 /nfs/dbraw/zinc/98/95/32/441989532.db2.gz HJDXLARRLFOYLS-QZTJIDSGSA-N 2 2 333.476 1.470 20 0 EDADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000069608411 441989535 /nfs/dbraw/zinc/98/95/35/441989535.db2.gz HJDXLARRLFOYLS-QZTJIDSGSA-N 2 2 333.476 1.470 20 0 EDADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000069608411 441989541 /nfs/dbraw/zinc/98/95/41/441989541.db2.gz HJDXLARRLFOYLS-QZTJIDSGSA-N 2 2 333.476 1.470 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)CC2)CCO1 ZINC000175140938 442008545 /nfs/dbraw/zinc/00/85/45/442008545.db2.gz LMDGECPQXRNVSZ-GOEBONIOSA-N 2 2 332.448 1.472 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)CC2)CCO1 ZINC000175140938 442008552 /nfs/dbraw/zinc/00/85/52/442008552.db2.gz LMDGECPQXRNVSZ-GOEBONIOSA-N 2 2 332.448 1.472 20 0 EDADLP COc1cccc([C@@H](CNC(=O)NCCn2cc[nH+]c2)[NH+](C)C)c1 ZINC000079222920 442031031 /nfs/dbraw/zinc/03/10/31/442031031.db2.gz QVROSDHQDBMUKO-MRXNPFEDSA-N 2 2 331.420 1.494 20 0 EDADLP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000120247171 442035691 /nfs/dbraw/zinc/03/56/91/442035691.db2.gz ZKJMKVULWCTMHJ-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP CC[N@H+](CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C1CC1 ZINC000151274633 442036671 /nfs/dbraw/zinc/03/66/71/442036671.db2.gz YNYNOIOEGNWAQI-UHFFFAOYSA-N 2 2 341.459 1.463 20 0 EDADLP CC[N@@H+](CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C1CC1 ZINC000151274633 442036679 /nfs/dbraw/zinc/03/66/79/442036679.db2.gz YNYNOIOEGNWAQI-UHFFFAOYSA-N 2 2 341.459 1.463 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000175606613 442093160 /nfs/dbraw/zinc/09/31/60/442093160.db2.gz FXRPVIXEQKBBAC-UHFFFAOYSA-N 3 2 339.528 1.044 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079484939 442052390 /nfs/dbraw/zinc/05/23/90/442052390.db2.gz JJXDOMBYSGMBDT-UHFFFAOYSA-N 2 2 335.496 1.991 20 0 EDADLP CCc1cc(=O)[nH]c(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000162048340 442059875 /nfs/dbraw/zinc/05/98/75/442059875.db2.gz GNUNYEAHVXFRSW-INIZCTEOSA-N 2 2 333.480 1.347 20 0 EDADLP CCc1cc(=O)[nH]c(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000162048340 442059879 /nfs/dbraw/zinc/05/98/79/442059879.db2.gz GNUNYEAHVXFRSW-INIZCTEOSA-N 2 2 333.480 1.347 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCCCO1 ZINC000126021917 442070450 /nfs/dbraw/zinc/07/04/50/442070450.db2.gz XINMEUOBACLEMZ-QGZVFWFLSA-N 2 2 346.475 1.621 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)CC[C@H]2CCC[NH+]2C)CC1 ZINC000120443424 442073659 /nfs/dbraw/zinc/07/36/59/442073659.db2.gz AWCVELDEHTZWDZ-MRXNPFEDSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CC[C@H]2CCC[NH+]2C)CC1 ZINC000120443424 442073660 /nfs/dbraw/zinc/07/36/60/442073660.db2.gz AWCVELDEHTZWDZ-MRXNPFEDSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000120443424 442073661 /nfs/dbraw/zinc/07/36/61/442073661.db2.gz AWCVELDEHTZWDZ-MRXNPFEDSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[NH+](C)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000120443424 442073662 /nfs/dbraw/zinc/07/36/62/442073662.db2.gz AWCVELDEHTZWDZ-MRXNPFEDSA-N 2 2 339.480 1.204 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NO[C@H]3CCCCO3)CC2)CC1 ZINC000162659834 442112318 /nfs/dbraw/zinc/11/23/18/442112318.db2.gz GBXIUSRTRRUKSR-INIZCTEOSA-N 2 2 340.468 1.302 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000175790250 442122219 /nfs/dbraw/zinc/12/22/19/442122219.db2.gz PNKFAIYHOVJAGI-HOCLYGCPSA-N 2 2 335.452 1.086 20 0 EDADLP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000162846406 442126628 /nfs/dbraw/zinc/12/66/28/442126628.db2.gz OGTRQNCBWMWWNJ-KRWDZBQOSA-N 2 2 347.459 1.615 20 0 EDADLP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)c(OC)c1 ZINC000162846406 442126631 /nfs/dbraw/zinc/12/66/31/442126631.db2.gz OGTRQNCBWMWWNJ-KRWDZBQOSA-N 2 2 347.459 1.615 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000164967481 442204388 /nfs/dbraw/zinc/20/43/88/442204388.db2.gz DWKBBZOUBBGWDT-JTQLQIEISA-N 2 2 332.231 1.982 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000164967481 442204393 /nfs/dbraw/zinc/20/43/93/442204393.db2.gz DWKBBZOUBBGWDT-JTQLQIEISA-N 2 2 332.231 1.982 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000127339083 442194525 /nfs/dbraw/zinc/19/45/25/442194525.db2.gz GFUSEYIJPMJHGE-MRXNPFEDSA-N 2 2 347.507 1.647 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000164469940 442197585 /nfs/dbraw/zinc/19/75/85/442197585.db2.gz DWRZRFJAGMBDRT-UHFFFAOYSA-N 2 2 334.464 1.207 20 0 EDADLP O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000164522868 442198442 /nfs/dbraw/zinc/19/84/42/442198442.db2.gz LQOOGNYAYFXMMH-SJORKVTESA-N 2 2 343.475 1.930 20 0 EDADLP CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000120907223 442150602 /nfs/dbraw/zinc/15/06/02/442150602.db2.gz VHWZWHWQTBZCQQ-GOSISDBHSA-N 2 2 331.460 1.996 20 0 EDADLP CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000120907223 442150607 /nfs/dbraw/zinc/15/06/07/442150607.db2.gz VHWZWHWQTBZCQQ-GOSISDBHSA-N 2 2 331.460 1.996 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000163233012 442152557 /nfs/dbraw/zinc/15/25/57/442152557.db2.gz GLEFRYVMCYQXBZ-CQSZACIVSA-N 2 2 346.431 1.068 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000152448088 442214450 /nfs/dbraw/zinc/21/44/50/442214450.db2.gz AQFQAJPNNJOECA-UHFFFAOYSA-N 2 2 330.432 1.630 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000152448088 442214454 /nfs/dbraw/zinc/21/44/54/442214454.db2.gz AQFQAJPNNJOECA-UHFFFAOYSA-N 2 2 330.432 1.630 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000152808724 442245551 /nfs/dbraw/zinc/24/55/51/442245551.db2.gz UMBVOPGTWBYNBC-DOTOQJQBSA-N 2 2 349.479 1.586 20 0 EDADLP C[C@H](CNC(=O)c1cccc(C[NH+]2CCOCC2)c1)Cn1cc[nH+]c1 ZINC000153663910 442294803 /nfs/dbraw/zinc/29/48/03/442294803.db2.gz LIERZEUVXJSFCP-MRXNPFEDSA-N 2 2 342.443 1.781 20 0 EDADLP COc1ccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1F ZINC000177138481 442303311 /nfs/dbraw/zinc/30/33/11/442303311.db2.gz BLCPMMYOKZCLED-UHFFFAOYSA-N 2 2 337.439 1.519 20 0 EDADLP C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)CCO1 ZINC000171282351 442337566 /nfs/dbraw/zinc/33/75/66/442337566.db2.gz YKTZMDIVVVDYQJ-HNNXBMFYSA-N 2 2 342.443 1.589 20 0 EDADLP C[C@H]1C[N@H+](C2CCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)CCO1 ZINC000171282351 442337569 /nfs/dbraw/zinc/33/75/69/442337569.db2.gz YKTZMDIVVVDYQJ-HNNXBMFYSA-N 2 2 342.443 1.589 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177493043 442349462 /nfs/dbraw/zinc/34/94/62/442349462.db2.gz WHPFHYWDHJIGRH-OAHLLOKOSA-N 2 2 335.452 1.168 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177493043 442349465 /nfs/dbraw/zinc/34/94/65/442349465.db2.gz WHPFHYWDHJIGRH-OAHLLOKOSA-N 2 2 335.452 1.168 20 0 EDADLP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129244257 442307766 /nfs/dbraw/zinc/30/77/66/442307766.db2.gz DTMCUBLHLMFPIW-RCCFBDPRSA-N 2 2 337.508 1.678 20 0 EDADLP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129244257 442307768 /nfs/dbraw/zinc/30/77/68/442307768.db2.gz DTMCUBLHLMFPIW-RCCFBDPRSA-N 2 2 337.508 1.678 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000171123573 442316231 /nfs/dbraw/zinc/31/62/31/442316231.db2.gz PRRIYNZZTSQCDK-UHFFFAOYSA-N 2 2 344.459 1.962 20 0 EDADLP C[C@@H]1C[NH+](CCN2CCc3[nH+]c[nH]c3[C@@H]2c2ccnn2C)C[C@@H](C)O1 ZINC000625495520 450392548 /nfs/dbraw/zinc/39/25/48/450392548.db2.gz IDPLHRVAHFNVQT-LBTNJELSSA-N 2 2 344.463 1.200 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132112334 442387780 /nfs/dbraw/zinc/38/77/80/442387780.db2.gz RSBPGXANDAVRIG-HUUCEWRRSA-N 2 2 327.469 1.696 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132112334 442387782 /nfs/dbraw/zinc/38/77/82/442387782.db2.gz RSBPGXANDAVRIG-HUUCEWRRSA-N 2 2 327.469 1.696 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000171955489 442392733 /nfs/dbraw/zinc/39/27/33/442392733.db2.gz KSHZCOSBSYYRTJ-UHFFFAOYSA-N 2 2 345.487 1.663 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000171955489 442392737 /nfs/dbraw/zinc/39/27/37/442392737.db2.gz KSHZCOSBSYYRTJ-UHFFFAOYSA-N 2 2 345.487 1.663 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000177917706 442395478 /nfs/dbraw/zinc/39/54/78/442395478.db2.gz FLTHESROOVUWFM-RDTXWAMCSA-N 2 2 328.460 1.798 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000177917706 442395481 /nfs/dbraw/zinc/39/54/81/442395481.db2.gz FLTHESROOVUWFM-RDTXWAMCSA-N 2 2 328.460 1.798 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178214519 442415961 /nfs/dbraw/zinc/41/59/61/442415961.db2.gz DXCRVQGOZSZNOT-DLBZAZTESA-N 2 2 336.524 1.393 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178214519 442415964 /nfs/dbraw/zinc/41/59/64/442415964.db2.gz DXCRVQGOZSZNOT-DLBZAZTESA-N 2 2 336.524 1.393 20 0 EDADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC000155678345 442419027 /nfs/dbraw/zinc/41/90/27/442419027.db2.gz HTTCBFYTAQCTJG-UHFFFAOYSA-N 2 2 348.472 1.634 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000178479359 442437734 /nfs/dbraw/zinc/43/77/34/442437734.db2.gz DXBFEWINWKPKAH-UHFFFAOYSA-N 2 2 347.463 1.785 20 0 EDADLP C[NH2+]CCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000178680223 442455720 /nfs/dbraw/zinc/45/57/20/442455720.db2.gz JPXKRLMAQNIZRV-UHFFFAOYSA-N 2 2 332.448 1.205 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cc(OC)c1 ZINC000178852673 442503732 /nfs/dbraw/zinc/50/37/32/442503732.db2.gz GEHPWEFVMAWQSN-SFHVURJKSA-N 2 2 349.475 1.721 20 0 EDADLP CC(C)n1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000179487934 442464604 /nfs/dbraw/zinc/46/46/04/442464604.db2.gz KJSIZQJBWJOLBR-UHFFFAOYSA-N 2 2 347.507 1.840 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156348185 442471672 /nfs/dbraw/zinc/47/16/72/442471672.db2.gz UPNYXISMSQDBTC-SFHVURJKSA-N 2 2 341.411 1.860 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156348185 442471674 /nfs/dbraw/zinc/47/16/74/442471674.db2.gz UPNYXISMSQDBTC-SFHVURJKSA-N 2 2 341.411 1.860 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000178954177 442537558 /nfs/dbraw/zinc/53/75/58/442537558.db2.gz TVQMTBCPYQPWOC-RDJZCZTQSA-N 2 2 333.501 1.892 20 0 EDADLP C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000178961242 442539207 /nfs/dbraw/zinc/53/92/07/442539207.db2.gz RHQBEGZFHWFBLF-HZPDHXFCSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000178961242 442539214 /nfs/dbraw/zinc/53/92/14/442539214.db2.gz RHQBEGZFHWFBLF-HZPDHXFCSA-N 2 2 325.497 1.581 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cc(C3CC3)n[nH]2)([NH+]2CCCCC2)CC1 ZINC000172850159 442555949 /nfs/dbraw/zinc/55/59/49/442555949.db2.gz UIBQSAXDNFDTBK-UHFFFAOYSA-N 2 2 345.491 1.967 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179108469 442573937 /nfs/dbraw/zinc/57/39/37/442573937.db2.gz BJRXQLVITBYPCV-RYQLBKOJSA-N 2 2 346.475 1.452 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179108469 442573943 /nfs/dbraw/zinc/57/39/43/442573943.db2.gz BJRXQLVITBYPCV-RYQLBKOJSA-N 2 2 346.475 1.452 20 0 EDADLP CCC[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000192349498 442637831 /nfs/dbraw/zinc/63/78/31/442637831.db2.gz CURQTNVBPJTDFM-MRXNPFEDSA-N 2 2 349.479 1.250 20 0 EDADLP CCC[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[N@H+]1CCOC ZINC000192349498 442637835 /nfs/dbraw/zinc/63/78/35/442637835.db2.gz CURQTNVBPJTDFM-MRXNPFEDSA-N 2 2 349.479 1.250 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000179284765 442612170 /nfs/dbraw/zinc/61/21/70/442612170.db2.gz NRZHLEUZTFNHHE-QYZOEREBSA-N 2 2 342.487 1.650 20 0 EDADLP CN(C[C@@H]1CCCOC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179311264 442618499 /nfs/dbraw/zinc/61/84/99/442618499.db2.gz GYIRHZUDHZLHHE-HNNXBMFYSA-N 2 2 326.485 1.080 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181524169 442701964 /nfs/dbraw/zinc/70/19/64/442701964.db2.gz OXJUSEZWULLETI-UHFFFAOYSA-N 2 2 332.496 1.560 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181524169 442701965 /nfs/dbraw/zinc/70/19/65/442701965.db2.gz OXJUSEZWULLETI-UHFFFAOYSA-N 2 2 332.496 1.560 20 0 EDADLP c1nc(N2CCC[C@@H]([NH2+][C@@H]3CCSC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000180782392 442659126 /nfs/dbraw/zinc/65/91/26/442659126.db2.gz UKZKPDOXHPQEPV-HUUCEWRRSA-N 2 2 349.504 1.377 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193215588 442723143 /nfs/dbraw/zinc/72/31/43/442723143.db2.gz ACKJCPHQRCIIDY-GOSISDBHSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193215588 442723146 /nfs/dbraw/zinc/72/31/46/442723146.db2.gz ACKJCPHQRCIIDY-GOSISDBHSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H]1C[NH2+]CCO1 ZINC000188198961 442723555 /nfs/dbraw/zinc/72/35/55/442723555.db2.gz JZANCZJFDHWZBZ-BLLLJJGKSA-N 2 2 339.386 1.034 20 0 EDADLP O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H]1C[NH2+]CCO1 ZINC000188198961 442723556 /nfs/dbraw/zinc/72/35/56/442723556.db2.gz JZANCZJFDHWZBZ-BLLLJJGKSA-N 2 2 339.386 1.034 20 0 EDADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000188209405 442724944 /nfs/dbraw/zinc/72/49/44/442724944.db2.gz ZFHQZHIUKPDPLV-WBVHZDCISA-N 2 2 349.450 1.279 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000188715993 442795874 /nfs/dbraw/zinc/79/58/74/442795874.db2.gz ZWUDCYWWKIGXAV-MRXNPFEDSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000188715993 442795876 /nfs/dbraw/zinc/79/58/76/442795876.db2.gz ZWUDCYWWKIGXAV-MRXNPFEDSA-N 2 2 333.476 1.422 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1CC(C)(C)O ZINC000188715993 442795886 /nfs/dbraw/zinc/79/58/86/442795886.db2.gz ZWUDCYWWKIGXAV-MRXNPFEDSA-N 2 2 333.476 1.422 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000193626606 442761078 /nfs/dbraw/zinc/76/10/78/442761078.db2.gz BCCRYVRVMVPUIH-HRCADAONSA-N 2 2 344.459 1.833 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)c1 ZINC000193626606 442761081 /nfs/dbraw/zinc/76/10/81/442761081.db2.gz BCCRYVRVMVPUIH-HRCADAONSA-N 2 2 344.459 1.833 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)c1 ZINC000193626606 442761084 /nfs/dbraw/zinc/76/10/84/442761084.db2.gz BCCRYVRVMVPUIH-HRCADAONSA-N 2 2 344.459 1.833 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)c1 ZINC000193626606 442761086 /nfs/dbraw/zinc/76/10/86/442761086.db2.gz BCCRYVRVMVPUIH-HRCADAONSA-N 2 2 344.459 1.833 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000265437394 442772514 /nfs/dbraw/zinc/77/25/14/442772514.db2.gz XPTRZGYTRJMVLU-SFHVURJKSA-N 2 2 346.519 1.651 20 0 EDADLP CCN1CC[NH+](CCCNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000265437394 442772515 /nfs/dbraw/zinc/77/25/15/442772515.db2.gz XPTRZGYTRJMVLU-SFHVURJKSA-N 2 2 346.519 1.651 20 0 EDADLP C[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246431487 442780847 /nfs/dbraw/zinc/78/08/47/442780847.db2.gz MXTAFLPGQQUQPZ-QBPKDAKJSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000246431487 442780852 /nfs/dbraw/zinc/78/08/52/442780852.db2.gz MXTAFLPGQQUQPZ-QBPKDAKJSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000265531696 442812443 /nfs/dbraw/zinc/81/24/43/442812443.db2.gz FTOBQUUMHQZKSG-HNNXBMFYSA-N 2 2 334.464 1.333 20 0 EDADLP C[C@H](Oc1cccnc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000265531696 442812446 /nfs/dbraw/zinc/81/24/46/442812446.db2.gz FTOBQUUMHQZKSG-HNNXBMFYSA-N 2 2 334.464 1.333 20 0 EDADLP CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1CCOC ZINC000268064545 442834474 /nfs/dbraw/zinc/83/44/74/442834474.db2.gz AJAWFMIOCIUNSJ-OAHLLOKOSA-N 2 2 339.505 1.993 20 0 EDADLP CC[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1CCOC ZINC000268064545 442834478 /nfs/dbraw/zinc/83/44/78/442834478.db2.gz AJAWFMIOCIUNSJ-OAHLLOKOSA-N 2 2 339.505 1.993 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000268101248 442848724 /nfs/dbraw/zinc/84/87/24/442848724.db2.gz ADSITXLQBSTEPW-MAUKXSAKSA-N 2 2 343.475 1.392 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000268101248 442848728 /nfs/dbraw/zinc/84/87/28/442848728.db2.gz ADSITXLQBSTEPW-MAUKXSAKSA-N 2 2 343.475 1.392 20 0 EDADLP CC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCS1 ZINC000179312340 318456599 /nfs/dbraw/zinc/45/65/99/318456599.db2.gz MWOOXCPNHOXDDT-HNNXBMFYSA-N 2 2 328.526 1.549 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000268191434 442891404 /nfs/dbraw/zinc/89/14/04/442891404.db2.gz MWWKPVHXQFWPJP-HNAYVOBHSA-N 2 2 343.471 1.731 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000268191434 442891409 /nfs/dbraw/zinc/89/14/09/442891409.db2.gz MWWKPVHXQFWPJP-HNAYVOBHSA-N 2 2 343.471 1.731 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000189267515 442909161 /nfs/dbraw/zinc/90/91/61/442909161.db2.gz AKYPRPHARFJCQP-UHFFFAOYSA-N 2 2 332.448 1.970 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000189321260 442920089 /nfs/dbraw/zinc/92/00/89/442920089.db2.gz FCSRSCBNROOFNS-UHFFFAOYSA-N 2 2 328.501 1.471 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000189321260 442920090 /nfs/dbraw/zinc/92/00/90/442920090.db2.gz FCSRSCBNROOFNS-UHFFFAOYSA-N 2 2 328.501 1.471 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000248958477 442940162 /nfs/dbraw/zinc/94/01/62/442940162.db2.gz FGQSERPFDGFKBT-CJYSPXJISA-N 2 2 327.350 1.526 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000248958477 442940167 /nfs/dbraw/zinc/94/01/67/442940167.db2.gz FGQSERPFDGFKBT-CJYSPXJISA-N 2 2 327.350 1.526 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000619065510 450398143 /nfs/dbraw/zinc/39/81/43/450398143.db2.gz GDTSIWFBQJEMPP-UHFFFAOYSA-N 2 2 339.443 1.354 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000266180758 443048278 /nfs/dbraw/zinc/04/82/78/443048278.db2.gz VCEKTDROLCJAMI-MRXNPFEDSA-N 2 2 330.388 1.231 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000266180758 443048281 /nfs/dbraw/zinc/04/82/81/443048281.db2.gz VCEKTDROLCJAMI-MRXNPFEDSA-N 2 2 330.388 1.231 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000249752182 443003758 /nfs/dbraw/zinc/00/37/58/443003758.db2.gz RTFFHYRXOCKZTQ-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000249752182 443003763 /nfs/dbraw/zinc/00/37/63/443003763.db2.gz RTFFHYRXOCKZTQ-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1nc(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cc[nH+]1 ZINC000184948563 443104965 /nfs/dbraw/zinc/10/49/65/443104965.db2.gz XUEUJSHAGRTDIN-UHFFFAOYSA-N 2 2 326.404 1.208 20 0 EDADLP CCOc1cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)ccc1O ZINC000298419941 318814410 /nfs/dbraw/zinc/81/44/10/318814410.db2.gz MLUMHXKFEKTBSY-UHFFFAOYSA-N 2 2 335.448 1.433 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000298820783 318851695 /nfs/dbraw/zinc/85/16/95/318851695.db2.gz UKYGVINFAJJJKP-CQSZACIVSA-N 2 2 347.463 1.406 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000269029076 443177297 /nfs/dbraw/zinc/17/72/97/443177297.db2.gz RFEQJDSXLBKBCS-ZBFHGGJFSA-N 2 2 348.472 1.947 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000262131045 443184284 /nfs/dbraw/zinc/18/42/84/443184284.db2.gz GLNXWZQZZGXWHT-UGFHNGPFSA-N 2 2 325.840 1.436 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000236862422 443151125 /nfs/dbraw/zinc/15/11/25/443151125.db2.gz ODOHJAYJZBAFKX-UHFFFAOYSA-N 2 2 345.487 1.981 20 0 EDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237027002 443156721 /nfs/dbraw/zinc/15/67/21/443156721.db2.gz HJSVOMQPWURMJB-SFHVURJKSA-N 2 2 346.475 1.089 20 0 EDADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237027002 443156724 /nfs/dbraw/zinc/15/67/24/443156724.db2.gz HJSVOMQPWURMJB-SFHVURJKSA-N 2 2 346.475 1.089 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000191013413 443225657 /nfs/dbraw/zinc/22/56/57/443225657.db2.gz BQDWWHKJSWQADU-LLVKDONJSA-N 2 2 343.357 1.424 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000191013413 443225659 /nfs/dbraw/zinc/22/56/59/443225659.db2.gz BQDWWHKJSWQADU-LLVKDONJSA-N 2 2 343.357 1.424 20 0 EDADLP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000327567416 318945781 /nfs/dbraw/zinc/94/57/81/318945781.db2.gz VNKLCWFQJOIMNC-IBGZPJMESA-N 2 2 336.439 1.613 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245575218 443237350 /nfs/dbraw/zinc/23/73/50/443237350.db2.gz HOPPCLNFAPWTMT-DZGCQCFKSA-N 2 2 333.436 1.534 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245575218 443237355 /nfs/dbraw/zinc/23/73/55/443237355.db2.gz HOPPCLNFAPWTMT-DZGCQCFKSA-N 2 2 333.436 1.534 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1Cl ZINC000262601658 443202139 /nfs/dbraw/zinc/20/21/39/443202139.db2.gz XSKQSZFGHHBBRG-DOMZBBRYSA-N 2 2 325.840 1.437 20 0 EDADLP C[C@@H](CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000262680809 443208432 /nfs/dbraw/zinc/20/84/32/443208432.db2.gz XAOSJEUYMCYGKG-DOTOQJQBSA-N 2 2 346.475 1.560 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@@H](C)[NH3+] ZINC000399547030 319137694 /nfs/dbraw/zinc/13/76/94/319137694.db2.gz YWVCJVOZQJLGBX-NXHRZFHOSA-N 2 2 333.476 1.623 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@@H](C)[NH3+] ZINC000399547030 319137695 /nfs/dbraw/zinc/13/76/95/319137695.db2.gz YWVCJVOZQJLGBX-NXHRZFHOSA-N 2 2 333.476 1.623 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc[nH+]cc2Br)CC[N@H+](C)C1 ZINC000413497652 319271620 /nfs/dbraw/zinc/27/16/20/319271620.db2.gz LPJINQSRMDCOTE-JTQLQIEISA-N 2 2 328.210 1.385 20 0 EDADLP COC(=O)[C@@H]1CN(c2cc[nH+]cc2Br)CC[N@@H+](C)C1 ZINC000413497652 319271621 /nfs/dbraw/zinc/27/16/21/319271621.db2.gz LPJINQSRMDCOTE-JTQLQIEISA-N 2 2 328.210 1.385 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cc1F ZINC000266826337 443257411 /nfs/dbraw/zinc/25/74/11/443257411.db2.gz LTNTWQGVHZIELZ-UHFFFAOYSA-N 2 2 349.450 1.820 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)C1 ZINC000416003289 319389328 /nfs/dbraw/zinc/38/93/28/319389328.db2.gz GNIMQEZMNNBMFW-VXGBXAGGSA-N 2 2 347.385 1.664 20 0 EDADLP C[NH+](C)[C@@H](CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000416166198 319395790 /nfs/dbraw/zinc/39/57/90/319395790.db2.gz KLTGBLLNHCVWSI-KRWDZBQOSA-N 2 2 341.459 1.747 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CCn3cc[nH+]c3)nc2)C1 ZINC000269468510 443316069 /nfs/dbraw/zinc/31/60/69/443316069.db2.gz YDYMZNXMOJKJBR-HNNXBMFYSA-N 2 2 328.420 1.447 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000269508875 443330217 /nfs/dbraw/zinc/33/02/17/443330217.db2.gz RYHPVJRSKRKBRK-UHFFFAOYSA-N 2 2 330.436 1.884 20 0 EDADLP C[C@@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000418690532 319511571 /nfs/dbraw/zinc/51/15/71/319511571.db2.gz HDGJNGRPXYYZLJ-HOTGVXAUSA-N 2 2 333.480 1.987 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000264689556 443376380 /nfs/dbraw/zinc/37/63/80/443376380.db2.gz GVNCPFBPAZWUOF-OALUTQOASA-N 2 2 335.467 1.961 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000264689556 443376382 /nfs/dbraw/zinc/37/63/82/443376382.db2.gz GVNCPFBPAZWUOF-OALUTQOASA-N 2 2 335.467 1.961 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)NC(=O)Nc1ccccc1F ZINC000420381737 319612669 /nfs/dbraw/zinc/61/26/69/319612669.db2.gz ZJDSLZFIKISMSM-JUFZMCDQSA-N 2 2 336.411 1.838 20 0 EDADLP COCc1cccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000267333197 443421935 /nfs/dbraw/zinc/42/19/35/443421935.db2.gz PFSMNKGYMZLEQZ-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(Cl)cs1 ZINC000278982676 443481889 /nfs/dbraw/zinc/48/18/89/443481889.db2.gz HVLRGEAFGRJWFD-UHFFFAOYSA-N 2 2 330.885 1.895 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(Cl)cs1 ZINC000278982676 443481891 /nfs/dbraw/zinc/48/18/91/443481891.db2.gz HVLRGEAFGRJWFD-UHFFFAOYSA-N 2 2 330.885 1.895 20 0 EDADLP COC(=O)C[C@@H]1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@H]1C ZINC000423224304 319757495 /nfs/dbraw/zinc/75/74/95/319757495.db2.gz BUEVFNPNFLFSDK-DZKIICNBSA-N 2 2 332.448 1.881 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423327903 319765085 /nfs/dbraw/zinc/76/50/85/319765085.db2.gz KPOVPHNDMJURPB-VSZNYVQBSA-N 2 2 347.459 1.024 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272102550 443527522 /nfs/dbraw/zinc/52/75/22/443527522.db2.gz HDGLAAOMORGCPD-QGZVFWFLSA-N 2 2 333.476 1.977 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272102550 443527524 /nfs/dbraw/zinc/52/75/24/443527524.db2.gz HDGLAAOMORGCPD-QGZVFWFLSA-N 2 2 333.476 1.977 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000272106855 443528424 /nfs/dbraw/zinc/52/84/24/443528424.db2.gz YAEGCCBMCPYKRH-QGZVFWFLSA-N 2 2 328.416 1.209 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000272106855 443528427 /nfs/dbraw/zinc/52/84/27/443528427.db2.gz YAEGCCBMCPYKRH-QGZVFWFLSA-N 2 2 328.416 1.209 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000427267404 319894264 /nfs/dbraw/zinc/89/42/64/319894264.db2.gz YDCNYKPAHMENMQ-INIZCTEOSA-N 3 2 336.524 1.441 20 0 EDADLP OC1CC[NH+](CCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279909779 443639964 /nfs/dbraw/zinc/63/99/64/443639964.db2.gz LVEIEGRPTSGZAT-UHFFFAOYSA-N 2 2 332.423 1.948 20 0 EDADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000272414314 443617947 /nfs/dbraw/zinc/61/79/47/443617947.db2.gz GDSAMHKVFRCGBX-HOCLYGCPSA-N 2 2 327.432 1.612 20 0 EDADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)[C@H]2C1 ZINC000272414314 443617950 /nfs/dbraw/zinc/61/79/50/443617950.db2.gz GDSAMHKVFRCGBX-HOCLYGCPSA-N 2 2 327.432 1.612 20 0 EDADLP CC(C)(C)c1nc(=NC(=O)CCC[NH+]2CCC([NH3+])CC2)s[nH]1 ZINC000433163896 319973550 /nfs/dbraw/zinc/97/35/50/319973550.db2.gz CSPRMVPMCQELRL-UHFFFAOYSA-N 2 2 325.482 1.399 20 0 EDADLP COC(=O)[C@@H](c1ccsc1)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000279950551 443648198 /nfs/dbraw/zinc/64/81/98/443648198.db2.gz HRSXPFWKGHCDQP-CZUORRHYSA-N 2 2 340.489 1.987 20 0 EDADLP COC(=O)[C@@H](c1ccsc1)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000279950551 443648200 /nfs/dbraw/zinc/64/82/00/443648200.db2.gz HRSXPFWKGHCDQP-CZUORRHYSA-N 2 2 340.489 1.987 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000438572252 320036113 /nfs/dbraw/zinc/03/61/13/320036113.db2.gz PDHSUGRMXURVTN-QZTJIDSGSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCOCC1 ZINC000438572252 320036115 /nfs/dbraw/zinc/03/61/15/320036115.db2.gz PDHSUGRMXURVTN-QZTJIDSGSA-N 2 2 337.508 1.866 20 0 EDADLP COc1ccc([C@@H](CCn2cncn2)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000446742093 320133578 /nfs/dbraw/zinc/13/35/78/320133578.db2.gz DNNVVCWZUDWQJU-QGZVFWFLSA-N 2 2 326.404 1.904 20 0 EDADLP Cc1nn(C)c(C[NH2+][C@H](C)CC[NH+]2CCOCC2)c1Br ZINC000447940107 320148853 /nfs/dbraw/zinc/14/88/53/320148853.db2.gz NFFJJHYAJNJBCB-LLVKDONJSA-N 2 2 345.285 1.691 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)ccc1-n1cncn1 ZINC000449387407 320186893 /nfs/dbraw/zinc/18/68/93/320186893.db2.gz LLCJQSYKOAMDPD-QGZVFWFLSA-N 2 2 329.448 1.512 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2CCCO)ccc1-n1cncn1 ZINC000449387407 320186895 /nfs/dbraw/zinc/18/68/95/320186895.db2.gz LLCJQSYKOAMDPD-QGZVFWFLSA-N 2 2 329.448 1.512 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@@H+]3CCCC3(C)C)ccc2[nH+]1 ZINC000454067933 320281433 /nfs/dbraw/zinc/28/14/33/320281433.db2.gz KNKPUQSGSPYVGR-UHFFFAOYSA-N 2 2 343.431 1.572 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@H+]3CCCC3(C)C)ccc2[nH+]1 ZINC000454067933 320281435 /nfs/dbraw/zinc/28/14/35/320281435.db2.gz KNKPUQSGSPYVGR-UHFFFAOYSA-N 2 2 343.431 1.572 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000457488835 320328102 /nfs/dbraw/zinc/32/81/02/320328102.db2.gz SKZFYPHBMSWAQF-INIZCTEOSA-N 2 2 345.447 1.573 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000458598485 320337715 /nfs/dbraw/zinc/33/77/15/320337715.db2.gz PSAVIKHZJLZBAY-JMVFIXPQSA-N 2 2 346.519 1.866 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458786543 320341275 /nfs/dbraw/zinc/34/12/75/320341275.db2.gz LFXCGHQKYVPVTB-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458786543 320341276 /nfs/dbraw/zinc/34/12/76/320341276.db2.gz LFXCGHQKYVPVTB-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458786543 320341277 /nfs/dbraw/zinc/34/12/77/320341277.db2.gz LFXCGHQKYVPVTB-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458786543 320341278 /nfs/dbraw/zinc/34/12/78/320341278.db2.gz LFXCGHQKYVPVTB-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000516937922 320443509 /nfs/dbraw/zinc/44/35/09/320443509.db2.gz PTBQIFVRLVRULZ-MJGOQNOKSA-N 2 2 345.487 1.874 20 0 EDADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000298245327 443728888 /nfs/dbraw/zinc/72/88/88/443728888.db2.gz CXLMZNBXQYJFLG-AWEZNQCLSA-N 2 2 333.505 1.917 20 0 EDADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000298245327 443728892 /nfs/dbraw/zinc/72/88/92/443728892.db2.gz CXLMZNBXQYJFLG-AWEZNQCLSA-N 2 2 333.505 1.917 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000298473074 443777488 /nfs/dbraw/zinc/77/74/88/443777488.db2.gz PBJSEULRLOSGIL-YOEHRIQHSA-N 2 2 334.443 1.241 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000298473074 443777490 /nfs/dbraw/zinc/77/74/90/443777490.db2.gz PBJSEULRLOSGIL-YOEHRIQHSA-N 2 2 334.443 1.241 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292179604 443781145 /nfs/dbraw/zinc/78/11/45/443781145.db2.gz QKPBFKZFXYNQQR-LIRRHRJNSA-N 2 2 345.443 1.812 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292179604 443781150 /nfs/dbraw/zinc/78/11/50/443781150.db2.gz QKPBFKZFXYNQQR-LIRRHRJNSA-N 2 2 345.443 1.812 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292179604 443781155 /nfs/dbraw/zinc/78/11/55/443781155.db2.gz QKPBFKZFXYNQQR-LIRRHRJNSA-N 2 2 345.443 1.812 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292179604 443781161 /nfs/dbraw/zinc/78/11/61/443781161.db2.gz QKPBFKZFXYNQQR-LIRRHRJNSA-N 2 2 345.443 1.812 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529364650 320578222 /nfs/dbraw/zinc/57/82/22/320578222.db2.gz XYYGIRQWYXRHBC-NVXWUHKLSA-N 2 2 343.475 1.754 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000298619851 443819798 /nfs/dbraw/zinc/81/97/98/443819798.db2.gz QDGJPNPAPPREOR-UHFFFAOYSA-N 2 2 328.420 1.196 20 0 EDADLP Cc1cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)ccc1Cl ZINC000530242037 320617307 /nfs/dbraw/zinc/61/73/07/320617307.db2.gz JCOMNGOZHANRHB-UHFFFAOYSA-N 2 2 336.867 1.791 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000298693300 443840656 /nfs/dbraw/zinc/84/06/56/443840656.db2.gz AKFMGHNYTOIMKI-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP O=C(CC[N@@H+]1CCO[C@H]2CCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000281320089 443879018 /nfs/dbraw/zinc/87/90/18/443879018.db2.gz YATBKGNHWWOOEQ-SJORKVTESA-N 2 2 344.459 1.374 20 0 EDADLP O=C(CC[N@H+]1CCO[C@H]2CCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000281320089 443879022 /nfs/dbraw/zinc/87/90/22/443879022.db2.gz YATBKGNHWWOOEQ-SJORKVTESA-N 2 2 344.459 1.374 20 0 EDADLP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000298831616 443881277 /nfs/dbraw/zinc/88/12/77/443881277.db2.gz VTDSBUDURGNXBT-CQSZACIVSA-N 2 2 333.436 1.016 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000298831616 443881278 /nfs/dbraw/zinc/88/12/78/443881278.db2.gz VTDSBUDURGNXBT-CQSZACIVSA-N 2 2 333.436 1.016 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)[C@H](C)C1 ZINC000288467961 443889710 /nfs/dbraw/zinc/88/97/10/443889710.db2.gz OOYYSZMRNXANSV-MRXNPFEDSA-N 2 2 331.460 1.685 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)[C@H](C)C1 ZINC000288467961 443889713 /nfs/dbraw/zinc/88/97/13/443889713.db2.gz OOYYSZMRNXANSV-MRXNPFEDSA-N 2 2 331.460 1.685 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCCOc3cccc(F)c3)C2)C1 ZINC000292868393 443865179 /nfs/dbraw/zinc/86/51/79/443865179.db2.gz DARSYVMYKVHDSU-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCCOc3cccc(F)c3)C2)C1 ZINC000292868393 443865183 /nfs/dbraw/zinc/86/51/83/443865183.db2.gz DARSYVMYKVHDSU-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NCCOc3cccc(F)c3)C2)C1 ZINC000292868393 443865188 /nfs/dbraw/zinc/86/51/88/443865188.db2.gz DARSYVMYKVHDSU-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NCCOc3cccc(F)c3)C2)C1 ZINC000292868393 443865192 /nfs/dbraw/zinc/86/51/92/443865192.db2.gz DARSYVMYKVHDSU-LJQANCHMSA-N 2 2 349.450 1.738 20 0 EDADLP C[C@H]([C@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288532379 443910024 /nfs/dbraw/zinc/91/00/24/443910024.db2.gz YBUGFTUDHJGHPU-WWGRRREGSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@H]([C@H]1CCC[N@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288532379 443910028 /nfs/dbraw/zinc/91/00/28/443910028.db2.gz YBUGFTUDHJGHPU-WWGRRREGSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@H]([C@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288532379 443910032 /nfs/dbraw/zinc/91/00/32/443910032.db2.gz YBUGFTUDHJGHPU-WWGRRREGSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@H]([C@H]1CCC[N@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288532379 443910035 /nfs/dbraw/zinc/91/00/35/443910035.db2.gz YBUGFTUDHJGHPU-WWGRRREGSA-N 2 2 345.447 1.526 20 0 EDADLP CC(C)Nc1nc(NC[C@@H](c2ccco2)[NH+](C)C)nc(NCCO)[nH+]1 ZINC000285493344 444004835 /nfs/dbraw/zinc/00/48/35/444004835.db2.gz DUTJQLSOZCLUBO-LBPRGKRZSA-N 2 2 349.439 1.404 20 0 EDADLP Cn1c[nH+]cc1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000547927098 320849601 /nfs/dbraw/zinc/84/96/01/320849601.db2.gz XMXSZBISPOVKNJ-UHFFFAOYSA-N 2 2 325.372 1.877 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000299238272 443992510 /nfs/dbraw/zinc/99/25/10/443992510.db2.gz AUXQYFRIJDIBBD-MRXNPFEDSA-N 2 2 331.460 1.733 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000293354405 443993468 /nfs/dbraw/zinc/99/34/68/443993468.db2.gz NZEDWBDIYUQISP-WMZOPIPTSA-N 2 2 333.476 1.074 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000293354405 443993470 /nfs/dbraw/zinc/99/34/70/443993470.db2.gz NZEDWBDIYUQISP-WMZOPIPTSA-N 2 2 333.476 1.074 20 0 EDADLP O=C(CC[N@@H+]1CCO[C@H]2CCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000299400143 444037347 /nfs/dbraw/zinc/03/73/47/444037347.db2.gz YATBKGNHWWOOEQ-IRXDYDNUSA-N 2 2 344.459 1.374 20 0 EDADLP O=C(CC[N@H+]1CCO[C@H]2CCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000299400143 444037350 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O=C(C[N@H+]1CCO[C@@H]2CCC[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000299287843 444007604 /nfs/dbraw/zinc/00/76/04/444007604.db2.gz YCNVXJPKISZQOR-RTBURBONSA-N 2 2 343.471 1.584 20 0 EDADLP CCOC(=O)CNC(=O)C1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000289203848 444076396 /nfs/dbraw/zinc/07/63/96/444076396.db2.gz HXWWMABDXSADAB-UHFFFAOYSA-N 2 2 347.459 1.714 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285651485 444061109 /nfs/dbraw/zinc/06/11/09/444061109.db2.gz MINMNNJRUDTBCY-HNNXBMFYSA-N 2 2 325.453 1.575 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285651485 444061112 /nfs/dbraw/zinc/06/11/12/444061112.db2.gz MINMNNJRUDTBCY-HNNXBMFYSA-N 2 2 325.453 1.575 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285651485 444061116 /nfs/dbraw/zinc/06/11/16/444061116.db2.gz MINMNNJRUDTBCY-HNNXBMFYSA-N 2 2 325.453 1.575 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285651485 444061118 /nfs/dbraw/zinc/06/11/18/444061118.db2.gz MINMNNJRUDTBCY-HNNXBMFYSA-N 2 2 325.453 1.575 20 0 EDADLP CCNc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000557554756 321005616 /nfs/dbraw/zinc/00/56/16/321005616.db2.gz BTCJSOJIVKQWET-CYBMUJFWSA-N 2 2 335.500 1.500 20 0 EDADLP CCNc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000557554756 321005617 /nfs/dbraw/zinc/00/56/17/321005617.db2.gz BTCJSOJIVKQWET-CYBMUJFWSA-N 2 2 335.500 1.500 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000557554756 321005618 /nfs/dbraw/zinc/00/56/18/321005618.db2.gz BTCJSOJIVKQWET-CYBMUJFWSA-N 2 2 335.500 1.500 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000557554756 321005619 /nfs/dbraw/zinc/00/56/19/321005619.db2.gz BTCJSOJIVKQWET-CYBMUJFWSA-N 2 2 335.500 1.500 20 0 EDADLP CCNc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]c(NC(C)(C)C)n1 ZINC000557554756 321005620 /nfs/dbraw/zinc/00/56/20/321005620.db2.gz BTCJSOJIVKQWET-CYBMUJFWSA-N 2 2 335.500 1.500 20 0 EDADLP CCNc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]c(NC(C)(C)C)n1 ZINC000557554756 321005621 /nfs/dbraw/zinc/00/56/21/321005621.db2.gz BTCJSOJIVKQWET-CYBMUJFWSA-N 2 2 335.500 1.500 20 0 EDADLP Cc1ccc(NC(=O)Cc2c[nH+]cn2C)cc1NC(=O)CC[NH+](C)C ZINC000557770586 321006796 /nfs/dbraw/zinc/00/67/96/321006796.db2.gz AGKMAOIDKWLCFV-UHFFFAOYSA-N 2 2 343.431 1.800 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563073891 321093742 /nfs/dbraw/zinc/09/37/42/321093742.db2.gz WMMNTJWFBCPWFG-AWEZNQCLSA-N 2 2 343.435 1.047 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000563212904 321100650 /nfs/dbraw/zinc/10/06/50/321100650.db2.gz FVRDJGJCAGKEFY-KRWDZBQOSA-N 2 2 333.480 1.213 20 0 EDADLP C[N@H+](Cc1nnc2n1CCC2)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000565768434 321200007 /nfs/dbraw/zinc/20/00/07/321200007.db2.gz JVTUZEPDDXBKTB-UHFFFAOYSA-N 2 2 341.459 1.689 20 0 EDADLP C[N@@H+](Cc1nnc2n1CCC2)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000565768434 321200008 /nfs/dbraw/zinc/20/00/08/321200008.db2.gz JVTUZEPDDXBKTB-UHFFFAOYSA-N 2 2 341.459 1.689 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)CC[NH2+]C3CC3)CC2)cc(OC)c1 ZINC000565844269 321203066 /nfs/dbraw/zinc/20/30/66/321203066.db2.gz VJGPLPAYZBBEKE-UHFFFAOYSA-N 2 2 347.459 1.490 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ncnn3-c3ccccc3)C2)CC1 ZINC000282143257 444097058 /nfs/dbraw/zinc/09/70/58/444097058.db2.gz ZTHRQWISKLOICX-SFHVURJKSA-N 2 2 340.475 1.479 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncnn3-c3ccccc3)C2)CC1 ZINC000282143257 444097060 /nfs/dbraw/zinc/09/70/60/444097060.db2.gz ZTHRQWISKLOICX-SFHVURJKSA-N 2 2 340.475 1.479 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3CC[NH2+][C@@H]3C)CCCC2)no1 ZINC000566286001 321225331 /nfs/dbraw/zinc/22/53/31/321225331.db2.gz AFPKDFWNONBPQH-ZIAGYGMSSA-N 2 2 349.479 1.795 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000567120920 321241550 /nfs/dbraw/zinc/24/15/50/321241550.db2.gz SRUFWTOPALSMLO-INIZCTEOSA-N 2 2 343.874 1.909 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000567120920 321241551 /nfs/dbraw/zinc/24/15/51/321241551.db2.gz SRUFWTOPALSMLO-INIZCTEOSA-N 2 2 343.874 1.909 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000567648348 321250420 /nfs/dbraw/zinc/25/04/20/321250420.db2.gz ACXAULAJYXAUKA-CVEARBPZSA-N 3 2 347.507 1.791 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c[nH+]1 ZINC000568229632 321283312 /nfs/dbraw/zinc/28/33/12/321283312.db2.gz PROQKPASFVHEEG-INIZCTEOSA-N 2 2 331.464 1.821 20 0 EDADLP [NH3+]C[C@H]1CCCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000568489645 321293447 /nfs/dbraw/zinc/29/34/47/321293447.db2.gz KKRUZTRWBYFVDY-SJLPKXTDSA-N 2 2 346.475 1.440 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)CCN2C1=O ZINC000568533522 321295965 /nfs/dbraw/zinc/29/59/65/321295965.db2.gz UTIPKNUWYLLXNT-KGLIPLIRSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)CCN2C1=O ZINC000568533522 321295967 /nfs/dbraw/zinc/29/59/67/321295967.db2.gz UTIPKNUWYLLXNT-KGLIPLIRSA-N 2 2 330.363 1.225 20 0 EDADLP CO[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000571147981 321375072 /nfs/dbraw/zinc/37/50/72/321375072.db2.gz FZTRPRCWDZYFQA-LSDHHAIUSA-N 2 2 340.855 1.312 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Br)cn1 ZINC000289340019 444112166 /nfs/dbraw/zinc/11/21/66/444112166.db2.gz FSVNNAMPDZIHHW-GXFFZTMASA-N 2 2 328.254 1.950 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Br)cn1 ZINC000289340019 444112170 /nfs/dbraw/zinc/11/21/70/444112170.db2.gz FSVNNAMPDZIHHW-GXFFZTMASA-N 2 2 328.254 1.950 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000572015199 321411187 /nfs/dbraw/zinc/41/11/87/321411187.db2.gz FDVWYURHEZDINS-MRXNPFEDSA-N 2 2 346.475 1.522 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C1CC1 ZINC000289554346 444170702 /nfs/dbraw/zinc/17/07/02/444170702.db2.gz PAWPBUPIBNZYRV-AHRSYUTCSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+](C)C1CC1 ZINC000289554346 444170704 /nfs/dbraw/zinc/17/07/04/444170704.db2.gz PAWPBUPIBNZYRV-AHRSYUTCSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289554346 444170706 /nfs/dbraw/zinc/17/07/06/444170706.db2.gz PAWPBUPIBNZYRV-AHRSYUTCSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289554346 444170708 /nfs/dbraw/zinc/17/07/08/444170708.db2.gz PAWPBUPIBNZYRV-AHRSYUTCSA-N 3 2 331.504 1.942 20 0 EDADLP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1OC ZINC000289423682 444139059 /nfs/dbraw/zinc/13/90/59/444139059.db2.gz WQUQPAKKICTDBR-DGCLKSJQSA-N 2 2 326.412 1.949 20 0 EDADLP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1OC ZINC000289423682 444139062 /nfs/dbraw/zinc/13/90/62/444139062.db2.gz WQUQPAKKICTDBR-DGCLKSJQSA-N 2 2 326.412 1.949 20 0 EDADLP Cc1cc(NCC[NH+]2CCN(c3ncccn3)CC2)nc(C(C)C)[nH+]1 ZINC000301098479 444144851 /nfs/dbraw/zinc/14/48/51/444144851.db2.gz PTPJACWUERUZEB-UHFFFAOYSA-N 2 2 341.463 1.933 20 0 EDADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000285919148 444153006 /nfs/dbraw/zinc/15/30/06/444153006.db2.gz LKNRAXMHNMBEBP-UONOGXRCSA-N 2 2 343.387 1.303 20 0 EDADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000285919148 444153010 /nfs/dbraw/zinc/15/30/10/444153010.db2.gz LKNRAXMHNMBEBP-UONOGXRCSA-N 2 2 343.387 1.303 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(C)(C)n1cncn1 ZINC000289516098 444162908 /nfs/dbraw/zinc/16/29/08/444162908.db2.gz AOYDRYPSHSBSGF-CRAIPNDOSA-N 2 2 343.475 1.411 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)C(C)(C)n1cncn1 ZINC000289516098 444162911 /nfs/dbraw/zinc/16/29/11/444162911.db2.gz AOYDRYPSHSBSGF-CRAIPNDOSA-N 2 2 343.475 1.411 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301367942 444167028 /nfs/dbraw/zinc/16/70/28/444167028.db2.gz RNGBWFSAULLQGC-HZPDHXFCSA-N 2 2 333.480 1.463 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301367942 444167031 /nfs/dbraw/zinc/16/70/31/444167031.db2.gz RNGBWFSAULLQGC-HZPDHXFCSA-N 2 2 333.480 1.463 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301367942 444167034 /nfs/dbraw/zinc/16/70/34/444167034.db2.gz RNGBWFSAULLQGC-HZPDHXFCSA-N 2 2 333.480 1.463 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000301367942 444167036 /nfs/dbraw/zinc/16/70/36/444167036.db2.gz RNGBWFSAULLQGC-HZPDHXFCSA-N 2 2 333.480 1.463 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000289393103 444128095 /nfs/dbraw/zinc/12/80/95/444128095.db2.gz REQPYKWDMURFQD-VXGBXAGGSA-N 2 2 333.354 1.914 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000289393103 444128098 /nfs/dbraw/zinc/12/80/98/444128098.db2.gz REQPYKWDMURFQD-VXGBXAGGSA-N 2 2 333.354 1.914 20 0 EDADLP C[C@@H](C[NH+]1CCCCCC1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302449311 444213560 /nfs/dbraw/zinc/21/35/60/444213560.db2.gz NIRHPFOPQGTKPG-HNNXBMFYSA-N 2 2 346.479 1.431 20 0 EDADLP CN(C[C@H](O)C[NH+]1CCN(C)CC1)c1cc[nH+]c2cc(F)ccc21 ZINC000302673162 444219351 /nfs/dbraw/zinc/21/93/51/444219351.db2.gz OSSCISSBECSEDG-HNNXBMFYSA-N 2 2 332.423 1.418 20 0 EDADLP CN(C[C@H](O)CN1CC[NH+](C)CC1)c1cc[nH+]c2cc(F)ccc21 ZINC000302673162 444219352 /nfs/dbraw/zinc/21/93/52/444219352.db2.gz OSSCISSBECSEDG-HNNXBMFYSA-N 2 2 332.423 1.418 20 0 EDADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(C)c1OC ZINC000286003611 444173894 /nfs/dbraw/zinc/17/38/94/444173894.db2.gz IUJAQDNSASTVMQ-WMLDXEAASA-N 2 2 335.492 1.779 20 0 EDADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(C)c1OC ZINC000286003611 444173898 /nfs/dbraw/zinc/17/38/98/444173898.db2.gz IUJAQDNSASTVMQ-WMLDXEAASA-N 2 2 335.492 1.779 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301517138 444176371 /nfs/dbraw/zinc/17/63/71/444176371.db2.gz DATWAWDCZXAFOG-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301517138 444176372 /nfs/dbraw/zinc/17/63/72/444176372.db2.gz DATWAWDCZXAFOG-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)C[NH+]1CCOCC1 ZINC000301862380 444194188 /nfs/dbraw/zinc/19/41/88/444194188.db2.gz FATQEKZBHMKJBF-ZDUSSCGKSA-N 2 2 332.452 1.962 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000289944538 444222253 /nfs/dbraw/zinc/22/22/53/444222253.db2.gz OWKDZNMGECHCLH-BHIYHBOVSA-N 2 2 345.487 1.434 20 0 EDADLP CC[N@H+](CCc1c[nH+]cn1C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000290144070 444247782 /nfs/dbraw/zinc/24/77/82/444247782.db2.gz WAEKGWPWEWINAX-UHFFFAOYSA-N 2 2 343.431 1.882 20 0 EDADLP CC[N@@H+](CCc1c[nH+]cn1C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000290144070 444247784 /nfs/dbraw/zinc/24/77/84/444247784.db2.gz WAEKGWPWEWINAX-UHFFFAOYSA-N 2 2 343.431 1.882 20 0 EDADLP c1nc(N2CCC(C[NH+]3CCCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000302796951 444224871 /nfs/dbraw/zinc/22/48/71/444224871.db2.gz QMFOUJLFLWPECQ-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000302796951 444224873 /nfs/dbraw/zinc/22/48/73/444224873.db2.gz QMFOUJLFLWPECQ-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000303115221 444234295 /nfs/dbraw/zinc/23/42/95/444234295.db2.gz RKUKOQXTXBBJPT-PKOBYXMFSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000303115221 444234298 /nfs/dbraw/zinc/23/42/98/444234298.db2.gz RKUKOQXTXBBJPT-PKOBYXMFSA-N 2 2 348.487 1.920 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000577164731 321628316 /nfs/dbraw/zinc/62/83/16/321628316.db2.gz YXZNUYCACNSBNH-FZMZJTMJSA-N 2 2 326.391 1.619 20 0 EDADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CC[NH2+]C2)c(C)c1 ZINC000577232464 321635727 /nfs/dbraw/zinc/63/57/27/321635727.db2.gz FUNYCUZSVAOAPO-DOTOQJQBSA-N 2 2 327.432 1.902 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000304029745 444240657 /nfs/dbraw/zinc/24/06/57/444240657.db2.gz WBWSLLGAIXFLDQ-QZTJIDSGSA-N 2 2 331.460 1.222 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000304029745 444240659 /nfs/dbraw/zinc/24/06/59/444240659.db2.gz WBWSLLGAIXFLDQ-QZTJIDSGSA-N 2 2 331.460 1.222 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000304029745 444240660 /nfs/dbraw/zinc/24/06/60/444240660.db2.gz WBWSLLGAIXFLDQ-QZTJIDSGSA-N 2 2 331.460 1.222 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000304029745 444240662 /nfs/dbraw/zinc/24/06/62/444240662.db2.gz WBWSLLGAIXFLDQ-QZTJIDSGSA-N 2 2 331.460 1.222 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000304294914 444245240 /nfs/dbraw/zinc/24/52/40/444245240.db2.gz FFTFCCVNCARGRZ-NCXUSEDFSA-N 2 2 339.524 1.264 20 0 EDADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000304294914 444245241 /nfs/dbraw/zinc/24/52/41/444245241.db2.gz FFTFCCVNCARGRZ-NCXUSEDFSA-N 2 2 339.524 1.264 20 0 EDADLP CC(C)([NH3+])CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000315954400 444307936 /nfs/dbraw/zinc/30/79/36/444307936.db2.gz KMZPEALJWTXPMD-ZDUSSCGKSA-N 2 2 325.478 1.755 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1cn(C2CCOCC2)nn1 ZINC000577796708 321682549 /nfs/dbraw/zinc/68/25/49/321682549.db2.gz WAUGUZNHAWFYCB-UHFFFAOYSA-N 2 2 339.359 1.463 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309947426 444290080 /nfs/dbraw/zinc/29/00/80/444290080.db2.gz POEKYPDBMPDNLG-HRCADAONSA-N 2 2 340.512 1.658 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309947426 444290081 /nfs/dbraw/zinc/29/00/81/444290081.db2.gz POEKYPDBMPDNLG-HRCADAONSA-N 2 2 340.512 1.658 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000578067798 321716843 /nfs/dbraw/zinc/71/68/43/321716843.db2.gz BKPLFASMJZLISZ-MRXNPFEDSA-N 2 2 341.459 1.241 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000320580502 444330797 /nfs/dbraw/zinc/33/07/97/444330797.db2.gz OEBUQSBAHJSXCJ-DLBZAZTESA-N 2 2 341.883 1.053 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000320580502 444330798 /nfs/dbraw/zinc/33/07/98/444330798.db2.gz OEBUQSBAHJSXCJ-DLBZAZTESA-N 2 2 341.883 1.053 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000337873219 444444444 /nfs/dbraw/zinc/44/44/44/444444444.db2.gz OUWIGQMTOVVCNE-GOSISDBHSA-N 2 2 338.415 1.412 20 0 EDADLP Cn1ncc2c1nc[nH+]c2NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000337873219 444444449 /nfs/dbraw/zinc/44/44/49/444444449.db2.gz OUWIGQMTOVVCNE-GOSISDBHSA-N 2 2 338.415 1.412 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337998362 444482046 /nfs/dbraw/zinc/48/20/46/444482046.db2.gz HKLVYMMMEUTMOQ-HUUCEWRRSA-N 2 2 337.468 1.380 20 0 EDADLP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340713722 444486331 /nfs/dbraw/zinc/48/63/31/444486331.db2.gz NLZBBGUVMHPJHU-UHFFFAOYSA-N 2 2 335.496 1.683 20 0 EDADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000338015068 444486927 /nfs/dbraw/zinc/48/69/27/444486927.db2.gz VXXRUQPFLOYONF-GOSISDBHSA-N 2 2 347.507 1.184 20 0 EDADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000338015068 444486930 /nfs/dbraw/zinc/48/69/30/444486930.db2.gz VXXRUQPFLOYONF-GOSISDBHSA-N 2 2 347.507 1.184 20 0 EDADLP O=C(C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000580062835 322003078 /nfs/dbraw/zinc/00/30/78/322003078.db2.gz SNQRVZCIECANTO-AWEZNQCLSA-N 2 2 345.447 1.065 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)[nH+]c2)C1 ZINC000580062658 322003314 /nfs/dbraw/zinc/00/33/14/322003314.db2.gz PAVVHWDVURWGFC-LMMKCTJWSA-N 3 2 345.491 1.401 20 0 EDADLP COc1cc(F)cc(C[C@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000580293812 322032138 /nfs/dbraw/zinc/03/21/38/322032138.db2.gz UZZLCHQKBCHULU-WFASDCNBSA-N 2 2 338.427 1.050 20 0 EDADLP COc1cc(F)cc(C[C@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000580293812 322032139 /nfs/dbraw/zinc/03/21/39/322032139.db2.gz UZZLCHQKBCHULU-WFASDCNBSA-N 2 2 338.427 1.050 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CC(=O)N1CCCCCC1)C(C)C ZINC000580324802 322037672 /nfs/dbraw/zinc/03/76/72/322037672.db2.gz FZXPVYAHXRYUHV-QGZVFWFLSA-N 2 2 343.512 1.039 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CC(=O)N1CCCCCC1)C(C)C ZINC000580324802 322037674 /nfs/dbraw/zinc/03/76/74/322037674.db2.gz FZXPVYAHXRYUHV-QGZVFWFLSA-N 2 2 343.512 1.039 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000580324802 322037677 /nfs/dbraw/zinc/03/76/77/322037677.db2.gz FZXPVYAHXRYUHV-QGZVFWFLSA-N 2 2 343.512 1.039 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000580324802 322037679 /nfs/dbraw/zinc/03/76/79/322037679.db2.gz FZXPVYAHXRYUHV-QGZVFWFLSA-N 2 2 343.512 1.039 20 0 EDADLP Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580538131 322063025 /nfs/dbraw/zinc/06/30/25/322063025.db2.gz DHSBSZZSACCCET-HNNXBMFYSA-N 2 2 328.420 1.287 20 0 EDADLP Cc1ccc(-n2cccn2)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580538131 322063027 /nfs/dbraw/zinc/06/30/27/322063027.db2.gz DHSBSZZSACCCET-HNNXBMFYSA-N 2 2 328.420 1.287 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000580822913 322099376 /nfs/dbraw/zinc/09/93/76/322099376.db2.gz UQVLTARZEFNVDS-IXDOHACOSA-N 2 2 332.448 1.191 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000580822913 322099377 /nfs/dbraw/zinc/09/93/77/322099377.db2.gz UQVLTARZEFNVDS-IXDOHACOSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000580889290 322108542 /nfs/dbraw/zinc/10/85/42/322108542.db2.gz WHUYBRJSRDRQAR-CRAIPNDOSA-N 2 2 333.476 1.293 20 0 EDADLP CN(C)c1[nH+]ccc2cc(NC[C@@H](O)C[NH+]3CCOCC3)ccc21 ZINC000581067973 322131556 /nfs/dbraw/zinc/13/15/56/322131556.db2.gz STYUVMGFLRGUPL-MRXNPFEDSA-N 2 2 330.432 1.406 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000581202452 322149376 /nfs/dbraw/zinc/14/93/76/322149376.db2.gz XCYZTZCJTMUKGE-FQEVSTJZSA-N 3 2 348.535 1.049 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000581202452 322149379 /nfs/dbraw/zinc/14/93/79/322149379.db2.gz XCYZTZCJTMUKGE-FQEVSTJZSA-N 3 2 348.535 1.049 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000581202452 322149380 /nfs/dbraw/zinc/14/93/80/322149380.db2.gz XCYZTZCJTMUKGE-FQEVSTJZSA-N 3 2 348.535 1.049 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000581202452 322149383 /nfs/dbraw/zinc/14/93/83/322149383.db2.gz XCYZTZCJTMUKGE-FQEVSTJZSA-N 3 2 348.535 1.049 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329251444 444512884 /nfs/dbraw/zinc/51/28/84/444512884.db2.gz YBBIQFWJIOBFHQ-OFQRWUPVSA-N 2 2 346.431 1.697 20 0 EDADLP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329251444 444512886 /nfs/dbraw/zinc/51/28/86/444512886.db2.gz YBBIQFWJIOBFHQ-OFQRWUPVSA-N 2 2 346.431 1.697 20 0 EDADLP C[C@@H](NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1)c1ccc2c(c1)OCCO2 ZINC000342125291 444521143 /nfs/dbraw/zinc/52/11/43/444521143.db2.gz DIODDEGOKSGQLI-CHWSQXEVSA-N 2 2 333.432 1.495 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)C[NH2+]CC2([NH3+])CCC2)c(OC)c1 ZINC000342145171 444532266 /nfs/dbraw/zinc/53/22/66/444532266.db2.gz RSIATAFMRIEOBE-INIZCTEOSA-N 2 2 347.459 1.838 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC000340898978 444564710 /nfs/dbraw/zinc/56/47/10/444564710.db2.gz HXPVOQWQNLLYPV-JFIYKMOQSA-N 2 2 331.460 1.347 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC000340898978 444564712 /nfs/dbraw/zinc/56/47/12/444564712.db2.gz HXPVOQWQNLLYPV-JFIYKMOQSA-N 2 2 331.460 1.347 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@@H]3C)CC2)c1 ZINC000340926111 444579618 /nfs/dbraw/zinc/57/96/18/444579618.db2.gz OIBFVRAPXVETSC-WMZOPIPTSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@@H]3C)CC2)c1 ZINC000340926111 444579622 /nfs/dbraw/zinc/57/96/22/444579622.db2.gz OIBFVRAPXVETSC-WMZOPIPTSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc(C2CC2)[nH+]1 ZINC000329345019 444543516 /nfs/dbraw/zinc/54/35/16/444543516.db2.gz UMOWHORDFALLCK-UHFFFAOYSA-N 2 2 329.448 1.407 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000343825592 444613458 /nfs/dbraw/zinc/61/34/58/444613458.db2.gz LPZOLGAEFNIQTG-CVEARBPZSA-N 2 2 338.402 1.715 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000343825592 444613461 /nfs/dbraw/zinc/61/34/61/444613461.db2.gz LPZOLGAEFNIQTG-CVEARBPZSA-N 2 2 338.402 1.715 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000341101171 444674872 /nfs/dbraw/zinc/67/48/72/444674872.db2.gz BBNPGLYBVOMGLM-MAUKXSAKSA-N 2 2 331.460 1.333 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000341101171 444674877 /nfs/dbraw/zinc/67/48/77/444674877.db2.gz BBNPGLYBVOMGLM-MAUKXSAKSA-N 2 2 331.460 1.333 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333850617 444702928 /nfs/dbraw/zinc/70/29/28/444702928.db2.gz XEEAQIWAHANBFY-VBQJREDUSA-N 2 2 331.464 1.831 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333850617 444702934 /nfs/dbraw/zinc/70/29/34/444702934.db2.gz XEEAQIWAHANBFY-VBQJREDUSA-N 2 2 331.464 1.831 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343995467 444716302 /nfs/dbraw/zinc/71/63/02/444716302.db2.gz YUYYZBRMHGECJH-KURKYZTESA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343995467 444716306 /nfs/dbraw/zinc/71/63/06/444716306.db2.gz YUYYZBRMHGECJH-KURKYZTESA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000343995925 444717094 /nfs/dbraw/zinc/71/70/94/444717094.db2.gz ALYLTLGMQOUOOD-DOTOQJQBSA-N 2 2 328.460 1.851 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000343995925 444717100 /nfs/dbraw/zinc/71/71/00/444717100.db2.gz ALYLTLGMQOUOOD-DOTOQJQBSA-N 2 2 328.460 1.851 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333926379 444720416 /nfs/dbraw/zinc/72/04/16/444720416.db2.gz VJDCDSORUSRVDP-HOTGVXAUSA-N 2 2 329.448 1.433 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000341198146 444724706 /nfs/dbraw/zinc/72/47/06/444724706.db2.gz VKRVTTYIUAYEJW-YYIAUSFCSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000341198146 444724708 /nfs/dbraw/zinc/72/47/08/444724708.db2.gz VKRVTTYIUAYEJW-YYIAUSFCSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000341198146 444724711 /nfs/dbraw/zinc/72/47/11/444724711.db2.gz VKRVTTYIUAYEJW-YYIAUSFCSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000341198146 444724713 /nfs/dbraw/zinc/72/47/13/444724713.db2.gz VKRVTTYIUAYEJW-YYIAUSFCSA-N 2 2 338.496 1.364 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000341123458 444686138 /nfs/dbraw/zinc/68/61/38/444686138.db2.gz HXJIKFJYIAJDIU-HNNXBMFYSA-N 2 2 344.415 1.161 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000342423695 444686349 /nfs/dbraw/zinc/68/63/49/444686349.db2.gz CIIYARJKCJYVCQ-NXHRZFHOSA-N 2 2 335.492 1.573 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000342423695 444686352 /nfs/dbraw/zinc/68/63/52/444686352.db2.gz CIIYARJKCJYVCQ-NXHRZFHOSA-N 2 2 335.492 1.573 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CCc1ccnn1C ZINC000338562105 444748146 /nfs/dbraw/zinc/74/81/46/444748146.db2.gz BCXZBVBWGZFURC-GOEBONIOSA-N 2 2 334.443 1.241 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@@H]3CCCC[N@@H+]3C)nc[nH+]2)C1 ZINC000334027695 444751381 /nfs/dbraw/zinc/75/13/81/444751381.db2.gz IMBWBFYMNLEQQR-BBWFWOEESA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@@H]3CCCC[N@H+]3C)nc[nH+]2)C1 ZINC000334027695 444751385 /nfs/dbraw/zinc/75/13/85/444751385.db2.gz IMBWBFYMNLEQQR-BBWFWOEESA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@@H]3CCCC[N@@H+]3C)[nH+]cn2)C1 ZINC000334027695 444751388 /nfs/dbraw/zinc/75/13/88/444751388.db2.gz IMBWBFYMNLEQQR-BBWFWOEESA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@@H]3CCCC[N@H+]3C)[nH+]cn2)C1 ZINC000334027695 444751392 /nfs/dbraw/zinc/75/13/92/444751392.db2.gz IMBWBFYMNLEQQR-BBWFWOEESA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]([NH+]4CCCCC4)C3)nc[nH+]2)C1 ZINC000334058013 444765315 /nfs/dbraw/zinc/76/53/15/444765315.db2.gz WTLVKNHAOJPEIG-GVDBMIGSSA-N 2 2 345.491 1.748 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000334065433 444768370 /nfs/dbraw/zinc/76/83/70/444768370.db2.gz ZPUHEYDEMOHIPF-LSDHHAIUSA-N 2 2 336.484 1.149 20 0 EDADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CC(=O)NCC1CC1)CC2 ZINC000338634295 444784705 /nfs/dbraw/zinc/78/47/05/444784705.db2.gz WBUAGTOOJAPVTC-OAHLLOKOSA-N 2 2 348.516 1.956 20 0 EDADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CC(=O)NCC1CC1)CC2 ZINC000338634295 444784708 /nfs/dbraw/zinc/78/47/08/444784708.db2.gz WBUAGTOOJAPVTC-OAHLLOKOSA-N 2 2 348.516 1.956 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCn1cc(Br)cn1 ZINC000336811817 444797932 /nfs/dbraw/zinc/79/79/32/444797932.db2.gz OPUNIPKDRPTJJY-WCQYABFASA-N 2 2 331.258 1.392 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000338729231 444824251 /nfs/dbraw/zinc/82/42/51/444824251.db2.gz HGNYBUUOAOJVRH-HOCLYGCPSA-N 2 2 346.435 1.535 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000336883047 444830483 /nfs/dbraw/zinc/83/04/83/444830483.db2.gz YAEPUOVSLZUNMI-UHFFFAOYSA-N 2 2 333.480 1.937 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000330093718 444842293 /nfs/dbraw/zinc/84/22/93/444842293.db2.gz RWICEKXHIVZMFD-OLZOCXBDSA-N 2 2 330.436 1.387 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000330093718 444842295 /nfs/dbraw/zinc/84/22/95/444842295.db2.gz RWICEKXHIVZMFD-OLZOCXBDSA-N 2 2 330.436 1.387 20 0 EDADLP COc1cc2[nH+]c(N3C[C@H](C)[NH+](C)[C@@H](C)C3)nc(N)c2cc1OC ZINC000338785733 444851078 /nfs/dbraw/zinc/85/10/78/444851078.db2.gz NOQKQLMQRXSCCF-QWRGUYRKSA-N 2 2 331.420 1.758 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C2)C1 ZINC000330181139 444876626 /nfs/dbraw/zinc/87/66/26/444876626.db2.gz GKVOGQXVCKIJKH-CRAIPNDOSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C2)C1 ZINC000330181139 444876628 /nfs/dbraw/zinc/87/66/28/444876628.db2.gz GKVOGQXVCKIJKH-CRAIPNDOSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)C2)C1 ZINC000330181139 444876629 /nfs/dbraw/zinc/87/66/29/444876629.db2.gz GKVOGQXVCKIJKH-CRAIPNDOSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)C2)C1 ZINC000330181139 444876631 /nfs/dbraw/zinc/87/66/31/444876631.db2.gz GKVOGQXVCKIJKH-CRAIPNDOSA-N 2 2 331.464 1.360 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCOC(F)F ZINC000338734233 444827604 /nfs/dbraw/zinc/82/76/04/444827604.db2.gz AFTZBLADVNLERF-UHFFFAOYSA-N 2 2 336.427 1.283 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCOC(F)F ZINC000338734233 444827606 /nfs/dbraw/zinc/82/76/06/444827606.db2.gz AFTZBLADVNLERF-UHFFFAOYSA-N 2 2 336.427 1.283 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000344384656 444933797 /nfs/dbraw/zinc/93/37/97/444933797.db2.gz OZRJAEPSHUGSKG-WBVHZDCISA-N 2 2 333.501 1.939 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000344384656 444933799 /nfs/dbraw/zinc/93/37/99/444933799.db2.gz OZRJAEPSHUGSKG-WBVHZDCISA-N 2 2 333.501 1.939 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000342911959 444937367 /nfs/dbraw/zinc/93/73/67/444937367.db2.gz OJEYLWZNKAUZGB-UHFFFAOYSA-N 2 2 326.485 1.226 20 0 EDADLP CC[C@H](C)C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000339021449 444991006 /nfs/dbraw/zinc/99/10/06/444991006.db2.gz FDNUEAFENYAOLT-HOTGVXAUSA-N 2 2 347.507 1.469 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000339131666 445047210 /nfs/dbraw/zinc/04/72/10/445047210.db2.gz FDTXFXSDTDKPNY-IXDOHACOSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000339131666 445047215 /nfs/dbraw/zinc/04/72/15/445047215.db2.gz FDTXFXSDTDKPNY-IXDOHACOSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3CC[NH+](C)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000344541783 445045719 /nfs/dbraw/zinc/04/57/19/445045719.db2.gz LSGMTJJYYCBGBE-HUUCEWRRSA-N 2 2 346.475 1.653 20 0 EDADLP FC(F)O[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000337568039 445141754 /nfs/dbraw/zinc/14/17/54/445141754.db2.gz ZOMQPNMQOVWULK-JKSUJKDBSA-N 2 2 347.450 1.533 20 0 EDADLP FC(F)O[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000337568039 445141755 /nfs/dbraw/zinc/14/17/55/445141755.db2.gz ZOMQPNMQOVWULK-JKSUJKDBSA-N 2 2 347.450 1.533 20 0 EDADLP C[N@H+](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000343141377 445091714 /nfs/dbraw/zinc/09/17/14/445091714.db2.gz HMIQQRKYMRDXKP-QGZVFWFLSA-N 2 2 344.484 1.985 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000343141377 445091719 /nfs/dbraw/zinc/09/17/19/445091719.db2.gz HMIQQRKYMRDXKP-QGZVFWFLSA-N 2 2 344.484 1.985 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337502958 445108643 /nfs/dbraw/zinc/10/86/43/445108643.db2.gz WZRWYCRXZKPHGL-HOTGVXAUSA-N 2 2 348.491 1.940 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337502958 445108645 /nfs/dbraw/zinc/10/86/45/445108645.db2.gz WZRWYCRXZKPHGL-HOTGVXAUSA-N 2 2 348.491 1.940 20 0 EDADLP COc1ccc(F)c(C[NH2+]CCCCN2CC[NH+](CCO)CC2)c1 ZINC000339255264 445118277 /nfs/dbraw/zinc/11/82/77/445118277.db2.gz AKYMTODHLHBVLY-UHFFFAOYSA-N 2 2 339.455 1.314 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000345243232 445174901 /nfs/dbraw/zinc/17/49/01/445174901.db2.gz HYMDBZDYDCPPBG-NCOADZHNSA-N 2 2 338.496 1.220 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000345243232 445174905 /nfs/dbraw/zinc/17/49/05/445174905.db2.gz HYMDBZDYDCPPBG-NCOADZHNSA-N 2 2 338.496 1.220 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000337580903 445149240 /nfs/dbraw/zinc/14/92/40/445149240.db2.gz BHSUBYMGINGJOD-GJZGRUSLSA-N 2 2 331.464 1.852 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000337580903 445149246 /nfs/dbraw/zinc/14/92/46/445149246.db2.gz BHSUBYMGINGJOD-GJZGRUSLSA-N 2 2 331.464 1.852 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)[nH+]1 ZINC000342066472 445153968 /nfs/dbraw/zinc/15/39/68/445153968.db2.gz CCABMWFMPLOYGV-HNNXBMFYSA-N 2 2 342.447 1.943 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)n1 ZINC000343389969 445214301 /nfs/dbraw/zinc/21/43/01/445214301.db2.gz NDNNMORZJIUOIT-KDOFPFPSSA-N 2 2 329.448 1.996 20 0 EDADLP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)n1 ZINC000343389969 445214302 /nfs/dbraw/zinc/21/43/02/445214302.db2.gz NDNNMORZJIUOIT-KDOFPFPSSA-N 2 2 329.448 1.996 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000345661865 445194740 /nfs/dbraw/zinc/19/47/40/445194740.db2.gz YDYVTJWHSQKHGA-HYVNUMGLSA-N 2 2 328.460 1.849 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000345661865 445194744 /nfs/dbraw/zinc/19/47/44/445194744.db2.gz YDYVTJWHSQKHGA-HYVNUMGLSA-N 2 2 328.460 1.849 20 0 EDADLP Cc1cc(NCC[NH+]2CCN(c3ncccn3)CC2)nc(C2CC2)[nH+]1 ZINC000346681134 445222867 /nfs/dbraw/zinc/22/28/67/445222867.db2.gz YBGHKPHBUWLNBV-UHFFFAOYSA-N 2 2 339.447 1.687 20 0 EDADLP CC(C)OC[C@H](O)C[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348092875 445266050 /nfs/dbraw/zinc/26/60/50/445266050.db2.gz YKNHPJBKKMQAOG-BZUAXINKSA-N 2 2 342.459 1.050 20 0 EDADLP CC(C)OC[C@H](O)C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348092875 445266051 /nfs/dbraw/zinc/26/60/51/445266051.db2.gz YKNHPJBKKMQAOG-BZUAXINKSA-N 2 2 342.459 1.050 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)CCc1cccnc1 ZINC000348096393 445266078 /nfs/dbraw/zinc/26/60/78/445266078.db2.gz ABRYSYXUFWVFEQ-DLBZAZTESA-N 2 2 331.439 1.902 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CCc1cccnc1 ZINC000348096393 445266079 /nfs/dbraw/zinc/26/60/79/445266079.db2.gz ABRYSYXUFWVFEQ-DLBZAZTESA-N 2 2 331.439 1.902 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351754106 445309126 /nfs/dbraw/zinc/30/91/26/445309126.db2.gz YPDFUOFGCOTJII-DOTOQJQBSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351754106 445309129 /nfs/dbraw/zinc/30/91/29/445309129.db2.gz YPDFUOFGCOTJII-DOTOQJQBSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@@H](CC(C)C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351754106 445309130 /nfs/dbraw/zinc/30/91/30/445309130.db2.gz YPDFUOFGCOTJII-DOTOQJQBSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@@H](CC(C)C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351754106 445309133 /nfs/dbraw/zinc/30/91/33/445309133.db2.gz YPDFUOFGCOTJII-DOTOQJQBSA-N 2 2 325.497 1.674 20 0 EDADLP COCCN1C(=O)N[C@@H]2C[N@@H+](CCCc3c[nH+]ccc3C)CC[C@@H]21 ZINC000348516814 445311322 /nfs/dbraw/zinc/31/13/22/445311322.db2.gz TXRQFYGTWSKEIE-SJORKVTESA-N 2 2 332.448 1.437 20 0 EDADLP COCCN1C(=O)N[C@@H]2C[N@H+](CCCc3c[nH+]ccc3C)CC[C@@H]21 ZINC000348516814 445311323 /nfs/dbraw/zinc/31/13/23/445311323.db2.gz TXRQFYGTWSKEIE-SJORKVTESA-N 2 2 332.448 1.437 20 0 EDADLP COc1cc(C[N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)ccn1 ZINC000348127182 445282621 /nfs/dbraw/zinc/28/26/21/445282621.db2.gz XITKTHQRVWLNMJ-JKSUJKDBSA-N 2 2 347.438 1.868 20 0 EDADLP COc1cc(C[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)ccn1 ZINC000348127182 445282626 /nfs/dbraw/zinc/28/26/26/445282626.db2.gz XITKTHQRVWLNMJ-JKSUJKDBSA-N 2 2 347.438 1.868 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000351710531 445285657 /nfs/dbraw/zinc/28/56/57/445285657.db2.gz DGYFNLYMIVZKHD-UHFFFAOYSA-N 2 2 347.463 1.800 20 0 EDADLP COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000348253899 445329212 /nfs/dbraw/zinc/32/92/12/445329212.db2.gz AOXCMTQJKSLZTM-TZMCWYRMSA-N 2 2 342.399 1.899 20 0 EDADLP COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000348253899 445329214 /nfs/dbraw/zinc/32/92/14/445329214.db2.gz AOXCMTQJKSLZTM-TZMCWYRMSA-N 2 2 342.399 1.899 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849128 445342328 /nfs/dbraw/zinc/34/23/28/445342328.db2.gz FOTVQHBBEFLYLL-VXGBXAGGSA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849128 445342329 /nfs/dbraw/zinc/34/23/29/445342329.db2.gz FOTVQHBBEFLYLL-VXGBXAGGSA-N 2 2 337.420 1.320 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000351850586 445342926 /nfs/dbraw/zinc/34/29/26/445342926.db2.gz JDMYKENJUMMSJC-HUUCEWRRSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000351850586 445342929 /nfs/dbraw/zinc/34/29/29/445342929.db2.gz JDMYKENJUMMSJC-HUUCEWRRSA-N 2 2 331.464 1.680 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351852269 445343634 /nfs/dbraw/zinc/34/36/34/445343634.db2.gz MGYWNFDCZPMKOI-IEBWSBKVSA-N 3 2 344.503 1.308 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351852269 445343636 /nfs/dbraw/zinc/34/36/36/445343636.db2.gz MGYWNFDCZPMKOI-IEBWSBKVSA-N 3 2 344.503 1.308 20 0 EDADLP COC1(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000359749771 445407860 /nfs/dbraw/zinc/40/78/60/445407860.db2.gz WOIMLWISHIJURH-UHFFFAOYSA-N 2 2 346.475 1.669 20 0 EDADLP C[NH2+][C@H](C(=O)NCCCn1c(C)[nH+]c2ccccc21)c1cnn(C)c1 ZINC000357191023 445474054 /nfs/dbraw/zinc/47/40/54/445474054.db2.gz QOZDJLBARBMEBD-KRWDZBQOSA-N 2 2 340.431 1.545 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000362547376 445433017 /nfs/dbraw/zinc/43/30/17/445433017.db2.gz IQGCNDOLPWYYFH-WBVHZDCISA-N 2 2 326.444 1.788 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000362547376 445433019 /nfs/dbraw/zinc/43/30/19/445433019.db2.gz IQGCNDOLPWYYFH-WBVHZDCISA-N 2 2 326.444 1.788 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cn3cc(C)ccc3[nH+]2)C1(C)C ZINC000357117842 445437589 /nfs/dbraw/zinc/43/75/89/445437589.db2.gz DGXVHQRYMPNBBK-RDTXWAMCSA-N 2 2 330.432 1.791 20 0 EDADLP C[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000348937015 445448057 /nfs/dbraw/zinc/44/80/57/445448057.db2.gz YMCOYCJJTMKYSB-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000348937015 445448063 /nfs/dbraw/zinc/44/80/63/445448063.db2.gz YMCOYCJJTMKYSB-MRXNPFEDSA-N 2 2 331.460 1.272 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000355255771 445452694 /nfs/dbraw/zinc/45/26/94/445452694.db2.gz RTKHRDJSVCOEOB-ZDUSSCGKSA-N 2 2 338.883 1.947 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000355255771 445452695 /nfs/dbraw/zinc/45/26/95/445452695.db2.gz RTKHRDJSVCOEOB-ZDUSSCGKSA-N 2 2 338.883 1.947 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000362663540 445485339 /nfs/dbraw/zinc/48/53/39/445485339.db2.gz KSSMYPYIWILREP-QGZVFWFLSA-N 2 2 339.443 1.473 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000362663540 445485343 /nfs/dbraw/zinc/48/53/43/445485343.db2.gz KSSMYPYIWILREP-QGZVFWFLSA-N 2 2 339.443 1.473 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000352090558 445486023 /nfs/dbraw/zinc/48/60/23/445486023.db2.gz ACUVUEPCXUBLIW-LJQANCHMSA-N 2 2 341.459 1.687 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000352090558 445486028 /nfs/dbraw/zinc/48/60/28/445486028.db2.gz ACUVUEPCXUBLIW-LJQANCHMSA-N 2 2 341.459 1.687 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000352090558 445486030 /nfs/dbraw/zinc/48/60/30/445486030.db2.gz ACUVUEPCXUBLIW-LJQANCHMSA-N 2 2 341.459 1.687 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1)C1CC1 ZINC000352090558 445486035 /nfs/dbraw/zinc/48/60/35/445486035.db2.gz ACUVUEPCXUBLIW-LJQANCHMSA-N 2 2 341.459 1.687 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000359924669 445491211 /nfs/dbraw/zinc/49/12/11/445491211.db2.gz OKKYOQJDLIQBCT-CVEARBPZSA-N 2 2 328.501 1.469 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000359924669 445491214 /nfs/dbraw/zinc/49/12/14/445491214.db2.gz OKKYOQJDLIQBCT-CVEARBPZSA-N 2 2 328.501 1.469 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000357245636 445504164 /nfs/dbraw/zinc/50/41/64/445504164.db2.gz IBNKNYZUDZKKAE-HNNXBMFYSA-N 2 2 349.479 1.098 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000357245636 445504167 /nfs/dbraw/zinc/50/41/67/445504167.db2.gz IBNKNYZUDZKKAE-HNNXBMFYSA-N 2 2 349.479 1.098 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000357368211 445555136 /nfs/dbraw/zinc/55/51/36/445555136.db2.gz DWOUYZYDCGZJGE-IEBWSBKVSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000357368211 445555140 /nfs/dbraw/zinc/55/51/40/445555140.db2.gz DWOUYZYDCGZJGE-IEBWSBKVSA-N 2 2 349.519 1.964 20 0 EDADLP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826830 445569064 /nfs/dbraw/zinc/56/90/64/445569064.db2.gz PYTBSLUJEXBXGV-SFHVURJKSA-N 2 2 345.487 1.969 20 0 EDADLP Cc1cccc(C)c1OCCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826830 445569067 /nfs/dbraw/zinc/56/90/67/445569067.db2.gz PYTBSLUJEXBXGV-SFHVURJKSA-N 2 2 345.487 1.969 20 0 EDADLP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362831777 445571886 /nfs/dbraw/zinc/57/18/86/445571886.db2.gz SXFHIUUYDLKDOF-MRXNPFEDSA-N 2 2 344.459 1.138 20 0 EDADLP Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362831777 445571887 /nfs/dbraw/zinc/57/18/87/445571887.db2.gz SXFHIUUYDLKDOF-MRXNPFEDSA-N 2 2 344.459 1.138 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000355950695 445542036 /nfs/dbraw/zinc/54/20/36/445542036.db2.gz FRLKMMGZJAIVBR-UHFFFAOYSA-N 2 2 334.464 1.328 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)NCC[N@@H+]1CCOC[C@H]1C)C(C)C ZINC000355955783 445544042 /nfs/dbraw/zinc/54/40/42/445544042.db2.gz DCYYWSABFUNOPM-MRXNPFEDSA-N 2 2 328.501 1.467 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)NCC[N@H+]1CCOC[C@H]1C)C(C)C ZINC000355955783 445544045 /nfs/dbraw/zinc/54/40/45/445544045.db2.gz DCYYWSABFUNOPM-MRXNPFEDSA-N 2 2 328.501 1.467 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000352682527 445547975 /nfs/dbraw/zinc/54/79/75/445547975.db2.gz DRFONBBFYGAQTR-UHFFFAOYSA-N 3 2 341.544 1.386 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000352682527 445547977 /nfs/dbraw/zinc/54/79/77/445547977.db2.gz DRFONBBFYGAQTR-UHFFFAOYSA-N 3 2 341.544 1.386 20 0 EDADLP CCCC[NH+](C)CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000352682527 445547982 /nfs/dbraw/zinc/54/79/82/445547982.db2.gz DRFONBBFYGAQTR-UHFFFAOYSA-N 3 2 341.544 1.386 20 0 EDADLP CCCC[NH+](C)CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000352682527 445547987 /nfs/dbraw/zinc/54/79/87/445547987.db2.gz DRFONBBFYGAQTR-UHFFFAOYSA-N 3 2 341.544 1.386 20 0 EDADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000362916654 445608653 /nfs/dbraw/zinc/60/86/53/445608653.db2.gz CAXLNJDASUCRMM-NVXWUHKLSA-N 2 2 347.507 1.431 20 0 EDADLP CC[N@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000353454387 445608668 /nfs/dbraw/zinc/60/86/68/445608668.db2.gz JOPVJWYBNIQSJT-UHFFFAOYSA-N 2 2 325.478 1.361 20 0 EDADLP CC[N@@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000353454387 445608671 /nfs/dbraw/zinc/60/86/71/445608671.db2.gz JOPVJWYBNIQSJT-UHFFFAOYSA-N 2 2 325.478 1.361 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000358537103 445640538 /nfs/dbraw/zinc/64/05/38/445640538.db2.gz ZCVCAWZXLDLVQP-RDBSUJKOSA-N 2 2 342.484 1.910 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000358537103 445640541 /nfs/dbraw/zinc/64/05/41/445640541.db2.gz ZCVCAWZXLDLVQP-RDBSUJKOSA-N 2 2 342.484 1.910 20 0 EDADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1(C(=O)OC)CCC1 ZINC000353539166 445648736 /nfs/dbraw/zinc/64/87/36/445648736.db2.gz WWALLCGBRSVGMD-UONOGXRCSA-N 2 2 325.453 1.038 20 0 EDADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1(C(=O)OC)CCC1 ZINC000353539166 445648740 /nfs/dbraw/zinc/64/87/40/445648740.db2.gz WWALLCGBRSVGMD-UONOGXRCSA-N 2 2 325.453 1.038 20 0 EDADLP C[N@H+](C1CC[NH+](CCO)CC1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000360283625 445675392 /nfs/dbraw/zinc/67/53/92/445675392.db2.gz BFEAFHPNJJWKOC-SFHVURJKSA-N 2 2 349.450 1.710 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000349908523 445719069 /nfs/dbraw/zinc/71/90/69/445719069.db2.gz VDTZLMNVOYCTEA-CQSZACIVSA-N 2 2 349.479 1.332 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000349908523 445719072 /nfs/dbraw/zinc/71/90/72/445719072.db2.gz VDTZLMNVOYCTEA-CQSZACIVSA-N 2 2 349.479 1.332 20 0 EDADLP CO[C@]1(C)CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000349786422 445678771 /nfs/dbraw/zinc/67/87/71/445678771.db2.gz HLVPCOLOWLBKTG-QGZVFWFLSA-N 2 2 326.485 1.223 20 0 EDADLP O=C(NCCNc1cc[nH+]cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000356214954 445680161 /nfs/dbraw/zinc/68/01/61/445680161.db2.gz SIVAQFHZNAGBCN-UHFFFAOYSA-N 2 2 336.399 1.601 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000356228652 445687267 /nfs/dbraw/zinc/68/72/67/445687267.db2.gz YSSGLYAVFYFRNV-ZACQAIPSSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000356228652 445687270 /nfs/dbraw/zinc/68/72/70/445687270.db2.gz YSSGLYAVFYFRNV-ZACQAIPSSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(NS(C)(=O)=O)c1 ZINC000353650453 445692871 /nfs/dbraw/zinc/69/28/71/445692871.db2.gz QVRMOWLZVBXHAN-AAEUAGOBSA-N 2 2 334.445 1.989 20 0 EDADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(NS(C)(=O)=O)c1 ZINC000353650453 445692875 /nfs/dbraw/zinc/69/28/75/445692875.db2.gz QVRMOWLZVBXHAN-AAEUAGOBSA-N 2 2 334.445 1.989 20 0 EDADLP Cn1c2ccc(C[N@H+](C)C3CC[NH+](CCO)CC3)cc2sc1=O ZINC000353652700 445694086 /nfs/dbraw/zinc/69/40/86/445694086.db2.gz FQKOWSNDTUOGNG-UHFFFAOYSA-N 2 2 335.473 1.489 20 0 EDADLP Cn1c2ccc(C[N@@H+](C)C3CC[NH+](CCO)CC3)cc2sc1=O ZINC000353652700 445694089 /nfs/dbraw/zinc/69/40/89/445694089.db2.gz FQKOWSNDTUOGNG-UHFFFAOYSA-N 2 2 335.473 1.489 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC000360338147 445699952 /nfs/dbraw/zinc/69/99/52/445699952.db2.gz PBMJJRMFBIXOON-PKOBYXMFSA-N 3 2 341.540 1.560 20 0 EDADLP CN(CCC[NH+]1CCCC1)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000358670406 445705235 /nfs/dbraw/zinc/70/52/35/445705235.db2.gz BIGZTBXOBDEFAL-MRXNPFEDSA-N 2 2 333.480 1.607 20 0 EDADLP CN(CCC[NH+]1CCCC1)c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000358670406 445705239 /nfs/dbraw/zinc/70/52/39/445705239.db2.gz BIGZTBXOBDEFAL-MRXNPFEDSA-N 2 2 333.480 1.607 20 0 EDADLP C[N@H+](CCCCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000349919177 445721688 /nfs/dbraw/zinc/72/16/88/445721688.db2.gz GQCLOONQHBRMNP-UHFFFAOYSA-N 2 2 325.478 1.097 20 0 EDADLP C[N@@H+](CCCCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000349919177 445721695 /nfs/dbraw/zinc/72/16/95/445721695.db2.gz GQCLOONQHBRMNP-UHFFFAOYSA-N 2 2 325.478 1.097 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)CC1 ZINC000363302498 445757559 /nfs/dbraw/zinc/75/75/59/445757559.db2.gz ITPZGYGRGNWZRS-QGZVFWFLSA-N 2 2 347.507 1.635 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CO)CC(C)(C)C)C2)CC1 ZINC000361277515 445757941 /nfs/dbraw/zinc/75/79/41/445757941.db2.gz BUXLCJNFGWHZRF-CABCVRRESA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CO)CC(C)(C)C)C2)CC1 ZINC000361277515 445757943 /nfs/dbraw/zinc/75/79/43/445757943.db2.gz BUXLCJNFGWHZRF-CABCVRRESA-N 2 2 340.512 1.251 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361289694 445758087 /nfs/dbraw/zinc/75/80/87/445758087.db2.gz WMPHUOSCJMCYLO-CVEARBPZSA-N 2 2 347.463 1.436 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361289694 445758089 /nfs/dbraw/zinc/75/80/89/445758089.db2.gz WMPHUOSCJMCYLO-CVEARBPZSA-N 2 2 347.463 1.436 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000361340476 445761100 /nfs/dbraw/zinc/76/11/00/445761100.db2.gz DZMNYUQYSVMHPW-DFQSSKMNSA-N 2 2 331.504 1.860 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000361340476 445761105 /nfs/dbraw/zinc/76/11/05/445761105.db2.gz DZMNYUQYSVMHPW-DFQSSKMNSA-N 2 2 331.504 1.860 20 0 EDADLP FC(F)(F)C1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000353946509 445822217 /nfs/dbraw/zinc/82/22/17/445822217.db2.gz HHXNZKZTOBHQJL-UHFFFAOYSA-N 2 2 335.414 1.715 20 0 EDADLP FC(F)(F)C1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000353946509 445822219 /nfs/dbraw/zinc/82/22/19/445822219.db2.gz HHXNZKZTOBHQJL-UHFFFAOYSA-N 2 2 335.414 1.715 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](CCO)[C@H]3CCO[C@H]3C)c2cc1C ZINC000361570724 445825693 /nfs/dbraw/zinc/82/56/93/445825693.db2.gz FPWZRAKFXKWIIF-JZXOWHBKSA-N 2 2 347.459 1.486 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](CCO)[C@H]3CCO[C@H]3C)c2cc1C ZINC000361570724 445825696 /nfs/dbraw/zinc/82/56/96/445825696.db2.gz FPWZRAKFXKWIIF-JZXOWHBKSA-N 2 2 347.459 1.486 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356415643 445779748 /nfs/dbraw/zinc/77/97/48/445779748.db2.gz IMFCABMCEJAOBG-QWHCGFSZSA-N 2 2 349.479 1.708 20 0 EDADLP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000353919067 445812424 /nfs/dbraw/zinc/81/24/24/445812424.db2.gz XLFNITWIMDWWGA-KRWDZBQOSA-N 2 2 338.540 1.593 20 0 EDADLP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000353919067 445812427 /nfs/dbraw/zinc/81/24/27/445812427.db2.gz XLFNITWIMDWWGA-KRWDZBQOSA-N 2 2 338.540 1.593 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNc2cc[nH+]c(N3CCOCC3)n2)C[C@H](C)O1 ZINC000354065752 445883633 /nfs/dbraw/zinc/88/36/33/445883633.db2.gz PVLRCBIZXZBMNZ-GASCZTMLSA-N 2 2 349.479 1.613 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNc2cc[nH+]c(N3CCOCC3)n2)C[C@H](C)O1 ZINC000354065752 445883634 /nfs/dbraw/zinc/88/36/34/445883634.db2.gz PVLRCBIZXZBMNZ-GASCZTMLSA-N 2 2 349.479 1.613 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1c1noc([C@H]2CCC[NH+]2C2CCOCC2)n1 ZINC000350580470 445851888 /nfs/dbraw/zinc/85/18/88/445851888.db2.gz KDVOFFPBDFHFJK-CABCVRRESA-N 2 2 335.452 1.304 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1c1noc([C@H]2CCC[NH+]2C2CCOCC2)n1 ZINC000350580470 445851891 /nfs/dbraw/zinc/85/18/91/445851891.db2.gz KDVOFFPBDFHFJK-CABCVRRESA-N 2 2 335.452 1.304 20 0 EDADLP CN1CC[NH+](C)C[C@H]1c1noc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000350580470 445851895 /nfs/dbraw/zinc/85/18/95/445851895.db2.gz KDVOFFPBDFHFJK-CABCVRRESA-N 2 2 335.452 1.304 20 0 EDADLP CN1CC[NH+](C)C[C@H]1c1noc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000350580470 445851899 /nfs/dbraw/zinc/85/18/99/445851899.db2.gz KDVOFFPBDFHFJK-CABCVRRESA-N 2 2 335.452 1.304 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000354079986 445891086 /nfs/dbraw/zinc/89/10/86/445891086.db2.gz NYSZAYXVISDNLV-UHFFFAOYSA-N 2 2 341.463 1.523 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1[nH+]ccn1C ZINC000361723359 445899245 /nfs/dbraw/zinc/89/92/45/445899245.db2.gz OQXJYXUMRSGAAC-IOASZLSFSA-N 2 2 328.416 1.762 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000354107970 445909272 /nfs/dbraw/zinc/90/92/72/445909272.db2.gz NNUXOLAYFOODOD-QWHCGFSZSA-N 2 2 334.420 1.408 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000354107970 445909275 /nfs/dbraw/zinc/90/92/75/445909275.db2.gz NNUXOLAYFOODOD-QWHCGFSZSA-N 2 2 334.420 1.408 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000369092692 445925368 /nfs/dbraw/zinc/92/53/68/445925368.db2.gz CERSCJYYBCZCAG-UHFFFAOYSA-N 2 2 329.448 1.612 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000369092692 445925369 /nfs/dbraw/zinc/92/53/69/445925369.db2.gz CERSCJYYBCZCAG-UHFFFAOYSA-N 2 2 329.448 1.612 20 0 EDADLP Cc1[nH+]c(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c2n1CCCC2 ZINC000369154666 445958256 /nfs/dbraw/zinc/95/82/56/445958256.db2.gz VQMFBIGIKXCLBC-GOSISDBHSA-N 2 2 346.475 1.787 20 0 EDADLP Cc1[nH+]c(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)c2n1CCCC2 ZINC000369154666 445958257 /nfs/dbraw/zinc/95/82/57/445958257.db2.gz VQMFBIGIKXCLBC-GOSISDBHSA-N 2 2 346.475 1.787 20 0 EDADLP C[NH+]1CCCC[C@@H]1CN1CCN(c2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000364842719 445960492 /nfs/dbraw/zinc/96/04/92/445960492.db2.gz IRFAXOYFDQWPFS-MRXNPFEDSA-N 2 2 344.507 1.071 20 0 EDADLP C[NH+]1CCCC[C@@H]1CN1CCN(c2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000364842719 445960494 /nfs/dbraw/zinc/96/04/94/445960494.db2.gz IRFAXOYFDQWPFS-MRXNPFEDSA-N 2 2 344.507 1.071 20 0 EDADLP C[NH+]1CCc2ncnc(N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2C1 ZINC000364842719 445960498 /nfs/dbraw/zinc/96/04/98/445960498.db2.gz IRFAXOYFDQWPFS-MRXNPFEDSA-N 2 2 344.507 1.071 20 0 EDADLP C[NH+]1CCc2ncnc(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)c2C1 ZINC000364842719 445960502 /nfs/dbraw/zinc/96/05/02/445960502.db2.gz IRFAXOYFDQWPFS-MRXNPFEDSA-N 2 2 344.507 1.071 20 0 EDADLP Cc1cnn(CCCCC[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000369189622 445980259 /nfs/dbraw/zinc/98/02/59/445980259.db2.gz WVKFUPNCPPIQPQ-IBGZPJMESA-N 2 2 349.523 1.310 20 0 EDADLP Cc1cnn(CCCCC[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000369189622 445980261 /nfs/dbraw/zinc/98/02/61/445980261.db2.gz WVKFUPNCPPIQPQ-IBGZPJMESA-N 2 2 349.523 1.310 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000356693840 445944385 /nfs/dbraw/zinc/94/43/85/445944385.db2.gz SRBUHZNVLPIJHW-QZTJIDSGSA-N 2 2 346.475 1.405 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000356693840 445944390 /nfs/dbraw/zinc/94/43/90/445944390.db2.gz SRBUHZNVLPIJHW-QZTJIDSGSA-N 2 2 346.475 1.405 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)C1CC1 ZINC000351291693 446026069 /nfs/dbraw/zinc/02/60/69/446026069.db2.gz SMRYKJZPOXWKFE-GOSISDBHSA-N 2 2 349.450 1.475 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1)C1CC1 ZINC000351291693 446026073 /nfs/dbraw/zinc/02/60/73/446026073.db2.gz SMRYKJZPOXWKFE-GOSISDBHSA-N 2 2 349.450 1.475 20 0 EDADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000366129348 446031253 /nfs/dbraw/zinc/03/12/53/446031253.db2.gz PCGHXNDTWDVYOF-AWEZNQCLSA-N 2 2 331.464 1.927 20 0 EDADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000366129348 446031259 /nfs/dbraw/zinc/03/12/59/446031259.db2.gz PCGHXNDTWDVYOF-AWEZNQCLSA-N 2 2 331.464 1.927 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn2c1 ZINC000583682405 326117264 /nfs/dbraw/zinc/11/72/64/326117264.db2.gz MLVOKACBOUWHRS-NUEKZKHPSA-N 2 2 327.432 1.912 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000583683163 326117429 /nfs/dbraw/zinc/11/74/29/326117429.db2.gz ULWLTWPFMHNOSI-AEFFLSMTSA-N 2 2 345.491 1.187 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000583683163 326117430 /nfs/dbraw/zinc/11/74/30/326117430.db2.gz ULWLTWPFMHNOSI-AEFFLSMTSA-N 2 2 345.491 1.187 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000583747915 326131973 /nfs/dbraw/zinc/13/19/73/326131973.db2.gz JUEQLLYIFQJCII-MAUKXSAKSA-N 2 2 329.448 1.454 20 0 EDADLP O=C1CCCN1c1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000583865940 326155304 /nfs/dbraw/zinc/15/53/04/326155304.db2.gz XJQCANVKVKDJKA-IEBWSBKVSA-N 2 2 329.444 1.670 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000583939700 326169968 /nfs/dbraw/zinc/16/99/68/326169968.db2.gz YENYFKCLTCCWKU-UHFFFAOYSA-N 2 2 345.447 1.287 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000366177638 446065457 /nfs/dbraw/zinc/06/54/57/446065457.db2.gz DHWRVVDQYGNRJS-KRWDZBQOSA-N 2 2 326.444 1.941 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000366177638 446065462 /nfs/dbraw/zinc/06/54/62/446065462.db2.gz DHWRVVDQYGNRJS-KRWDZBQOSA-N 2 2 326.444 1.941 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000366177638 446065469 /nfs/dbraw/zinc/06/54/69/446065469.db2.gz DHWRVVDQYGNRJS-KRWDZBQOSA-N 2 2 326.444 1.941 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000366177638 446065477 /nfs/dbraw/zinc/06/54/77/446065477.db2.gz DHWRVVDQYGNRJS-KRWDZBQOSA-N 2 2 326.444 1.941 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(S(=O)(=O)N4CCCC4)o3)C[C@H]12 ZINC000351487573 446088350 /nfs/dbraw/zinc/08/83/50/446088350.db2.gz COEWIAFWTLONHR-VHDGCEQUSA-N 2 2 339.461 1.233 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(S(=O)(=O)N4CCCC4)o3)C[C@H]12 ZINC000351487573 446088355 /nfs/dbraw/zinc/08/83/55/446088355.db2.gz COEWIAFWTLONHR-VHDGCEQUSA-N 2 2 339.461 1.233 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCCOc1ccccc1 ZINC000361924521 446074694 /nfs/dbraw/zinc/07/46/94/446074694.db2.gz FSBDFPNVLAIPNZ-UYAOXDASSA-N 2 2 347.503 1.792 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCCOc1ccccc1 ZINC000361924521 446074699 /nfs/dbraw/zinc/07/46/99/446074699.db2.gz FSBDFPNVLAIPNZ-UYAOXDASSA-N 2 2 347.503 1.792 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCCOc1ccccc1 ZINC000361924521 446074707 /nfs/dbraw/zinc/07/47/07/446074707.db2.gz FSBDFPNVLAIPNZ-UYAOXDASSA-N 2 2 347.503 1.792 20 0 EDADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCCOc1ccccc1 ZINC000361924521 446074709 /nfs/dbraw/zinc/07/47/09/446074709.db2.gz FSBDFPNVLAIPNZ-UYAOXDASSA-N 2 2 347.503 1.792 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@@H]12 ZINC000351479282 446078982 /nfs/dbraw/zinc/07/89/82/446078982.db2.gz REEGDQWOFHBQEP-DJIMGWMZSA-N 3 2 348.516 1.061 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CC[NH+](Cc4cccs4)CC3)C[C@@H]12 ZINC000351479282 446078989 /nfs/dbraw/zinc/07/89/89/446078989.db2.gz REEGDQWOFHBQEP-DJIMGWMZSA-N 3 2 348.516 1.061 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)C1 ZINC000369357823 446099679 /nfs/dbraw/zinc/09/96/79/446099679.db2.gz ICYLCMSPAPKDDF-CQSZACIVSA-N 2 2 345.413 1.657 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CCN(Cc3[nH+]ccn3CC(F)(F)F)CC2)C1 ZINC000369357823 446099681 /nfs/dbraw/zinc/09/96/81/446099681.db2.gz ICYLCMSPAPKDDF-CQSZACIVSA-N 2 2 345.413 1.657 20 0 EDADLP CC(C)[C@H]1C[C@H](CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000359269022 446106871 /nfs/dbraw/zinc/10/68/71/446106871.db2.gz VFCLDEURKBCGJL-SJLPKXTDSA-N 2 2 339.524 1.970 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[NH+]1CCC(C)CC1 ZINC000354344778 446128783 /nfs/dbraw/zinc/12/87/83/446128783.db2.gz ANRMGMSILPSATF-WMZOPIPTSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[NH+]1CCC(C)CC1 ZINC000354344778 446128784 /nfs/dbraw/zinc/12/87/84/446128784.db2.gz ANRMGMSILPSATF-WMZOPIPTSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000351589325 446186378 /nfs/dbraw/zinc/18/63/78/446186378.db2.gz COZKUSWCVODGPP-QZWWFDLISA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000351589325 446186381 /nfs/dbraw/zinc/18/63/81/446186381.db2.gz COZKUSWCVODGPP-QZWWFDLISA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000354361638 446145378 /nfs/dbraw/zinc/14/53/78/446145378.db2.gz QUZBVLZHWWINIL-KRWDZBQOSA-N 2 2 345.487 1.830 20 0 EDADLP CCOCC[N@@H+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C[C@@H]1CC ZINC000354367848 446150323 /nfs/dbraw/zinc/15/03/23/446150323.db2.gz MLBPIQRHKZLMOJ-CABCVRRESA-N 2 2 337.468 1.206 20 0 EDADLP CCOCC[N@H+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C[C@@H]1CC ZINC000354367848 446150326 /nfs/dbraw/zinc/15/03/26/446150326.db2.gz MLBPIQRHKZLMOJ-CABCVRRESA-N 2 2 337.468 1.206 20 0 EDADLP CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cccc3[nH+]ccn32)C1=O ZINC000362013450 446152641 /nfs/dbraw/zinc/15/26/41/446152641.db2.gz ZNEQBWVWIFBBMT-YVEFUNNKSA-N 2 2 327.388 1.144 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC([NH+]2CCCC2)CC1 ZINC000366463154 446224656 /nfs/dbraw/zinc/22/46/56/446224656.db2.gz QGFXJCBNWSPFJP-QGZVFWFLSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC([NH+]2CCCC2)CC1 ZINC000366463154 446224659 /nfs/dbraw/zinc/22/46/59/446224659.db2.gz QGFXJCBNWSPFJP-QGZVFWFLSA-N 2 2 336.480 1.119 20 0 EDADLP COCCC(C)(C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370369676 446250808 /nfs/dbraw/zinc/25/08/08/446250808.db2.gz JTXXGTYFYDLEQI-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccnn1CC[NH+](C)C ZINC000359504219 446263170 /nfs/dbraw/zinc/26/31/70/446263170.db2.gz PADAZGRYQBCOMW-UHFFFAOYSA-N 2 2 340.431 1.996 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](C)C1 ZINC000373566631 446264356 /nfs/dbraw/zinc/26/43/56/446264356.db2.gz ITYAVLBDRAGSFG-BBWFWOEESA-N 2 2 348.491 1.699 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](C)C1 ZINC000373566631 446264362 /nfs/dbraw/zinc/26/43/62/446264362.db2.gz ITYAVLBDRAGSFG-BBWFWOEESA-N 2 2 348.491 1.699 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)C2 ZINC000365673438 446296073 /nfs/dbraw/zinc/29/60/73/446296073.db2.gz IVPOYZJBCIKMKO-MRXNPFEDSA-N 2 2 335.496 1.096 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)C2 ZINC000365673438 446296075 /nfs/dbraw/zinc/29/60/75/446296075.db2.gz IVPOYZJBCIKMKO-MRXNPFEDSA-N 2 2 335.496 1.096 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)C2 ZINC000365673438 446296077 /nfs/dbraw/zinc/29/60/77/446296077.db2.gz IVPOYZJBCIKMKO-MRXNPFEDSA-N 2 2 335.496 1.096 20 0 EDADLP CN1c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCCC[C@H]4CO3)cc2CCC1=O ZINC000370420201 446270766 /nfs/dbraw/zinc/27/07/66/446270766.db2.gz FRLWBBKMMGNWJU-ZWKOTPCHSA-N 2 2 343.471 1.939 20 0 EDADLP CN1c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCCC[C@H]4CO3)cc2CCC1=O ZINC000370420201 446270769 /nfs/dbraw/zinc/27/07/69/446270769.db2.gz FRLWBBKMMGNWJU-ZWKOTPCHSA-N 2 2 343.471 1.939 20 0 EDADLP CN(C(=O)C[C@H](O)c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362302019 446311472 /nfs/dbraw/zinc/31/14/72/446311472.db2.gz ASOXQIBSLAWGLN-MOPGFXCFSA-N 2 2 345.487 1.737 20 0 EDADLP CN(C(=O)C[C@H](O)c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362302019 446311478 /nfs/dbraw/zinc/31/14/78/446311478.db2.gz ASOXQIBSLAWGLN-MOPGFXCFSA-N 2 2 345.487 1.737 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000373732332 446316827 /nfs/dbraw/zinc/31/68/27/446316827.db2.gz DOBBPZPULJJRQF-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC1CC[NH+](C3CC3)CC1)CCC2 ZINC000366708706 446318065 /nfs/dbraw/zinc/31/80/65/446318065.db2.gz LHDVCVHABCKXMU-AWEZNQCLSA-N 2 2 331.464 1.995 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000366748988 446333518 /nfs/dbraw/zinc/33/35/18/446333518.db2.gz YJAPIOJUPSEJDX-JKSUJKDBSA-N 2 2 332.448 1.015 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000366748988 446333521 /nfs/dbraw/zinc/33/35/21/446333521.db2.gz YJAPIOJUPSEJDX-JKSUJKDBSA-N 2 2 332.448 1.015 20 0 EDADLP CCCCNc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nc(N)[nH+]1 ZINC000376207797 446379764 /nfs/dbraw/zinc/37/97/64/446379764.db2.gz PLBGTTJSEJFAEA-ZIAGYGMSSA-N 2 2 334.468 1.570 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000365902293 446395557 /nfs/dbraw/zinc/39/55/57/446395557.db2.gz WBJQLEXJKUAZJI-CQSZACIVSA-N 2 2 346.431 1.506 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc3cnccn23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370706004 446395674 /nfs/dbraw/zinc/39/56/74/446395674.db2.gz KVSNRCHUFNFURV-WBVHZDCISA-N 2 2 328.464 1.187 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc3cnccn23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370706004 446395678 /nfs/dbraw/zinc/39/56/78/446395678.db2.gz KVSNRCHUFNFURV-WBVHZDCISA-N 2 2 328.464 1.187 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951670 446397107 /nfs/dbraw/zinc/39/71/07/446397107.db2.gz YZVZRFABHKTTAF-FZZIBODNSA-N 2 2 328.819 1.871 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951670 446397110 /nfs/dbraw/zinc/39/71/10/446397110.db2.gz YZVZRFABHKTTAF-FZZIBODNSA-N 2 2 328.819 1.871 20 0 EDADLP C[N@H+](C[C@@H]1CC12CCN(C(=O)C(C)(C)[NH+]1CCOCC1)CC2)C1CC1 ZINC000374903760 446448144 /nfs/dbraw/zinc/44/81/44/446448144.db2.gz QZULTGZXTFIMEZ-INIZCTEOSA-N 2 2 349.519 1.820 20 0 EDADLP C[N@@H+](C[C@@H]1CC12CCN(C(=O)C(C)(C)[NH+]1CCOCC1)CC2)C1CC1 ZINC000374903760 446448148 /nfs/dbraw/zinc/44/81/48/446448148.db2.gz QZULTGZXTFIMEZ-INIZCTEOSA-N 2 2 349.519 1.820 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370719785 446402236 /nfs/dbraw/zinc/40/22/36/446402236.db2.gz GIGIJGKOWJDGFV-UHFFFAOYSA-N 2 2 339.403 1.696 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000376263555 446405060 /nfs/dbraw/zinc/40/50/60/446405060.db2.gz CVUIBRCZPMVDFQ-GDBMZVCRSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000376263558 446405343 /nfs/dbraw/zinc/40/53/43/446405343.db2.gz CVUIBRCZPMVDFQ-ZBFHGGJFSA-N 2 2 331.464 1.916 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4CC[N@H+](C)C[C@@H]43)nc(N)c2cc1OC ZINC000374853819 446418947 /nfs/dbraw/zinc/41/89/47/446418947.db2.gz COLAYVYRBIKCJB-RISCZKNCSA-N 2 2 343.431 1.760 20 0 EDADLP COc1cc2[nH+]c(N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)nc(N)c2cc1OC ZINC000374853819 446418949 /nfs/dbraw/zinc/41/89/49/446418949.db2.gz COLAYVYRBIKCJB-RISCZKNCSA-N 2 2 343.431 1.760 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C)[nH+]1 ZINC000411265174 446454356 /nfs/dbraw/zinc/45/43/56/446454356.db2.gz WENVLWYMHFQRMR-HNNXBMFYSA-N 2 2 328.416 1.418 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000420299725 446460936 /nfs/dbraw/zinc/46/09/36/446460936.db2.gz BLUIYEDBHNFULP-LSDHHAIUSA-N 2 2 333.432 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000420299725 446460944 /nfs/dbraw/zinc/46/09/44/446460944.db2.gz BLUIYEDBHNFULP-LSDHHAIUSA-N 2 2 333.432 1.252 20 0 EDADLP Cc1noc(C)c1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830063 446463369 /nfs/dbraw/zinc/46/33/69/446463369.db2.gz KVBZMZRLECWTQR-MRXNPFEDSA-N 2 2 334.464 1.461 20 0 EDADLP Cc1noc(C)c1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830063 446463374 /nfs/dbraw/zinc/46/33/74/446463374.db2.gz KVBZMZRLECWTQR-MRXNPFEDSA-N 2 2 334.464 1.461 20 0 EDADLP CN(C(=O)c1cc(Cl)cn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829198 446464519 /nfs/dbraw/zinc/46/45/19/446464519.db2.gz FDBYRUGIVQCDET-OAHLLOKOSA-N 2 2 338.883 1.919 20 0 EDADLP CN(C(=O)c1cc(Cl)cn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829198 446464523 /nfs/dbraw/zinc/46/45/23/446464523.db2.gz FDBYRUGIVQCDET-OAHLLOKOSA-N 2 2 338.883 1.919 20 0 EDADLP CC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000420302452 446465864 /nfs/dbraw/zinc/46/58/64/446465864.db2.gz MFQGQNBAKPPWKA-HOCLYGCPSA-N 2 2 342.505 1.883 20 0 EDADLP CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000420302452 446465870 /nfs/dbraw/zinc/46/58/70/446465870.db2.gz MFQGQNBAKPPWKA-HOCLYGCPSA-N 2 2 342.505 1.883 20 0 EDADLP COc1ncccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837876 446471354 /nfs/dbraw/zinc/47/13/54/446471354.db2.gz JFIMLPGNVFCSRI-HNNXBMFYSA-N 2 2 332.448 1.331 20 0 EDADLP COc1ncccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837876 446471358 /nfs/dbraw/zinc/47/13/58/446471358.db2.gz JFIMLPGNVFCSRI-HNNXBMFYSA-N 2 2 332.448 1.331 20 0 EDADLP CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000420311086 446473839 /nfs/dbraw/zinc/47/38/39/446473839.db2.gz GSNJZSHMSYAJFM-IBGZPJMESA-N 3 2 346.519 1.870 20 0 EDADLP CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH2+]CC1 ZINC000420311086 446473846 /nfs/dbraw/zinc/47/38/46/446473846.db2.gz GSNJZSHMSYAJFM-IBGZPJMESA-N 3 2 346.519 1.870 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420314994 446479525 /nfs/dbraw/zinc/47/95/25/446479525.db2.gz RIVLMVXLADQDKO-MSOLQXFVSA-N 3 2 332.492 1.479 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420314994 446479533 /nfs/dbraw/zinc/47/95/33/446479533.db2.gz RIVLMVXLADQDKO-MSOLQXFVSA-N 3 2 332.492 1.479 20 0 EDADLP Cn1ncc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1C(F)(F)F ZINC000420319515 446485618 /nfs/dbraw/zinc/48/56/18/446485618.db2.gz AKBGPIXTCFHWGN-GFCCVEGCSA-N 2 2 332.370 1.626 20 0 EDADLP Cn1ncc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1C(F)(F)F ZINC000420319515 446485624 /nfs/dbraw/zinc/48/56/24/446485624.db2.gz AKBGPIXTCFHWGN-GFCCVEGCSA-N 2 2 332.370 1.626 20 0 EDADLP O=C(NC1CC[NH2+]CC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418302766 446490848 /nfs/dbraw/zinc/49/08/48/446490848.db2.gz BSKVEIRFABPEIX-DAXSKMNVSA-N 2 2 328.460 1.779 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420324704 446492028 /nfs/dbraw/zinc/49/20/28/446492028.db2.gz HNKHNGCCBNOIIM-ZDUSSCGKSA-N 2 2 337.851 1.966 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420324704 446492033 /nfs/dbraw/zinc/49/20/33/446492033.db2.gz HNKHNGCCBNOIIM-ZDUSSCGKSA-N 2 2 337.851 1.966 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)COC1CC[NH2+]CC1)C2 ZINC000423363911 446501169 /nfs/dbraw/zinc/50/11/69/446501169.db2.gz CCVKDITXNXDREF-CYBMUJFWSA-N 2 2 334.464 1.380 20 0 EDADLP CCc1ccnc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000374997333 446502753 /nfs/dbraw/zinc/50/27/53/446502753.db2.gz JWCKUKWJKVUKDN-QGZVFWFLSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1ccnc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000374997333 446502756 /nfs/dbraw/zinc/50/27/56/446502756.db2.gz JWCKUKWJKVUKDN-QGZVFWFLSA-N 2 2 330.476 1.885 20 0 EDADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423376323 446509213 /nfs/dbraw/zinc/50/92/13/446509213.db2.gz UYTXXFUTLQALCL-FFSVYQOJSA-N 2 2 325.403 1.867 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCCC[NH3+])[C@H](C)C1 ZINC000418352197 446511029 /nfs/dbraw/zinc/51/10/29/446511029.db2.gz MJFRGIUPVFFGJQ-OAHLLOKOSA-N 2 2 334.464 1.650 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NCCC[NH3+])[C@H](C)C1 ZINC000418352197 446511032 /nfs/dbraw/zinc/51/10/32/446511032.db2.gz MJFRGIUPVFFGJQ-OAHLLOKOSA-N 2 2 334.464 1.650 20 0 EDADLP C[NH2+]CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000418325710 446498989 /nfs/dbraw/zinc/49/89/89/446498989.db2.gz JYDZWRKUZQSPRX-DLBZAZTESA-N 3 2 339.528 1.184 20 0 EDADLP C[NH2+]CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000418325710 446498993 /nfs/dbraw/zinc/49/89/93/446498993.db2.gz JYDZWRKUZQSPRX-DLBZAZTESA-N 3 2 339.528 1.184 20 0 EDADLP C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)C(=O)N1CCCCC1 ZINC000420382738 446558259 /nfs/dbraw/zinc/55/82/59/446558259.db2.gz ZZDXDMJTTDTITQ-GDBMZVCRSA-N 2 2 338.496 1.001 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000418376062 446519228 /nfs/dbraw/zinc/51/92/28/446519228.db2.gz XZZDIIDLMYDXSB-CYBMUJFWSA-N 2 2 339.509 1.524 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000418376062 446519234 /nfs/dbraw/zinc/51/92/34/446519234.db2.gz XZZDIIDLMYDXSB-CYBMUJFWSA-N 2 2 339.509 1.524 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418399099 446529034 /nfs/dbraw/zinc/52/90/34/446529034.db2.gz FUIHFDAADWKOMX-QGZVFWFLSA-N 2 2 334.464 1.376 20 0 EDADLP COC(=O)C[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(OC)cc(OC)c1 ZINC000420352984 446531853 /nfs/dbraw/zinc/53/18/53/446531853.db2.gz BCJWBHXGDDPIFN-AWEZNQCLSA-N 2 2 336.432 1.678 20 0 EDADLP COC(=O)C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(OC)cc(OC)c1 ZINC000420352984 446531859 /nfs/dbraw/zinc/53/18/59/446531859.db2.gz BCJWBHXGDDPIFN-AWEZNQCLSA-N 2 2 336.432 1.678 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420391317 446567411 /nfs/dbraw/zinc/56/74/11/446567411.db2.gz APTXWFQAUUVAGM-PBHICJAKSA-N 2 2 333.476 1.715 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420391317 446567417 /nfs/dbraw/zinc/56/74/17/446567417.db2.gz APTXWFQAUUVAGM-PBHICJAKSA-N 2 2 333.476 1.715 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000453056115 446540466 /nfs/dbraw/zinc/54/04/66/446540466.db2.gz FUXIAKPQZFIIIY-RDTXWAMCSA-N 2 2 346.454 1.649 20 0 EDADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000453056115 446540475 /nfs/dbraw/zinc/54/04/75/446540475.db2.gz FUXIAKPQZFIIIY-RDTXWAMCSA-N 2 2 346.454 1.649 20 0 EDADLP [NH3+]C1CC[NH+](CCCC(=O)NCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000433169812 446543758 /nfs/dbraw/zinc/54/37/58/446543758.db2.gz SVVHCZNRQWFVBL-UHFFFAOYSA-N 2 2 333.411 1.522 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420365584 446546465 /nfs/dbraw/zinc/54/64/65/446546465.db2.gz SIEGZHDCFSLVEH-KRWDZBQOSA-N 2 2 333.476 1.851 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000418452093 446547637 /nfs/dbraw/zinc/54/76/37/446547637.db2.gz WWJQARHHIVQMFH-AWEZNQCLSA-N 2 2 339.509 1.796 20 0 EDADLP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420382122 446556871 /nfs/dbraw/zinc/55/68/71/446556871.db2.gz YHZKLLUPFVSWLD-ADHGMGHFSA-N 2 2 332.444 1.191 20 0 EDADLP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420382122 446556876 /nfs/dbraw/zinc/55/68/76/446556876.db2.gz YHZKLLUPFVSWLD-ADHGMGHFSA-N 2 2 332.444 1.191 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1)C1CC1 ZINC000418500739 446568809 /nfs/dbraw/zinc/56/88/09/446568809.db2.gz QEXKXHADGHTIDY-KSZLIROESA-N 2 2 344.459 1.019 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1)C1CC1 ZINC000418500739 446568816 /nfs/dbraw/zinc/56/88/16/446568816.db2.gz QEXKXHADGHTIDY-KSZLIROESA-N 2 2 344.459 1.019 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420396730 446570724 /nfs/dbraw/zinc/57/07/24/446570724.db2.gz WFXPDAIADOIOSU-OCCSQVGLSA-N 2 2 325.840 1.394 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420396730 446570727 /nfs/dbraw/zinc/57/07/27/446570727.db2.gz WFXPDAIADOIOSU-OCCSQVGLSA-N 2 2 325.840 1.394 20 0 EDADLP [NH3+]CCCCNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418506300 446572215 /nfs/dbraw/zinc/57/22/15/446572215.db2.gz GNIDRAJAMGTGKM-HNNXBMFYSA-N 2 2 347.463 1.583 20 0 EDADLP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc2ccccc2c1=O ZINC000420408200 446581497 /nfs/dbraw/zinc/58/14/97/446581497.db2.gz VVVGCKXWJQNIOA-RHSMWYFYSA-N 2 2 326.444 1.898 20 0 EDADLP Cn1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nc2ccccc2c1=O ZINC000420408200 446581502 /nfs/dbraw/zinc/58/15/02/446581502.db2.gz VVVGCKXWJQNIOA-RHSMWYFYSA-N 2 2 326.444 1.898 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418540016 446586380 /nfs/dbraw/zinc/58/63/80/446586380.db2.gz OEEVZSBACZNTCX-UHFFFAOYSA-N 2 2 332.423 1.573 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C[C@H]1C[NH3+] ZINC000420416201 446589309 /nfs/dbraw/zinc/58/93/09/446589309.db2.gz VJHMCLLCSRGQLB-FGTMMUONSA-N 2 2 344.503 1.546 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C[C@H]1C[NH3+] ZINC000420416201 446589314 /nfs/dbraw/zinc/58/93/14/446589314.db2.gz VJHMCLLCSRGQLB-FGTMMUONSA-N 2 2 344.503 1.546 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423595979 446594590 /nfs/dbraw/zinc/59/45/90/446594590.db2.gz QWBFWQMATNLYND-HZPDHXFCSA-N 2 2 347.459 1.448 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423595979 446594593 /nfs/dbraw/zinc/59/45/93/446594593.db2.gz QWBFWQMATNLYND-HZPDHXFCSA-N 2 2 347.459 1.448 20 0 EDADLP CC(C)N(C)C(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000411593596 446619709 /nfs/dbraw/zinc/61/97/09/446619709.db2.gz FIBHRLGHFQJVQN-GJZGRUSLSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)N(C)C(=O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000411593596 446619713 /nfs/dbraw/zinc/61/97/13/446619713.db2.gz FIBHRLGHFQJVQN-GJZGRUSLSA-N 2 2 339.459 1.131 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000423612639 446603748 /nfs/dbraw/zinc/60/37/48/446603748.db2.gz OIKSMOUTEOBKTI-FUHWJXTLSA-N 2 2 347.459 1.277 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000423612639 446603756 /nfs/dbraw/zinc/60/37/56/446603756.db2.gz OIKSMOUTEOBKTI-FUHWJXTLSA-N 2 2 347.459 1.277 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423747227 446676142 /nfs/dbraw/zinc/67/61/42/446676142.db2.gz SHJMPUHXXSJDMV-INIZCTEOSA-N 2 2 333.480 1.362 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(C)[nH+]1 ZINC000411665879 446638458 /nfs/dbraw/zinc/63/84/58/446638458.db2.gz GMVINYWJQWYYSU-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(C)[nH+]1 ZINC000411665879 446638466 /nfs/dbraw/zinc/63/84/66/446638466.db2.gz GMVINYWJQWYYSU-HNNXBMFYSA-N 2 2 332.448 1.793 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000418695219 446651343 /nfs/dbraw/zinc/65/13/43/446651343.db2.gz JDZSXVNYVURPQZ-KBPBESRZSA-N 2 2 340.493 1.500 20 0 EDADLP O=C(COC1CC[NH2+]CC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423709679 446651873 /nfs/dbraw/zinc/65/18/73/446651873.db2.gz IVPYQOSGKCLERA-UHFFFAOYSA-N 2 2 335.423 1.239 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000368133431 446661190 /nfs/dbraw/zinc/66/11/90/446661190.db2.gz JIZLNWOTGKKJDO-OAHLLOKOSA-N 2 2 344.463 1.288 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000368133431 446661192 /nfs/dbraw/zinc/66/11/92/446661192.db2.gz JIZLNWOTGKKJDO-OAHLLOKOSA-N 2 2 344.463 1.288 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)cc[nH+]1 ZINC000418743782 446665431 /nfs/dbraw/zinc/66/54/31/446665431.db2.gz BFQAEINQHGUVNQ-HNNXBMFYSA-N 2 2 332.452 1.149 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC[NH+]1CCCOCC1 ZINC000368042754 446621390 /nfs/dbraw/zinc/62/13/90/446621390.db2.gz OGPKNZXHAYVYPQ-KURKYZTESA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCC[NH+]1CCCOCC1 ZINC000368042754 446621398 /nfs/dbraw/zinc/62/13/98/446621398.db2.gz OGPKNZXHAYVYPQ-KURKYZTESA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCO2)CC[C@@H]1NCC[N@@H+]1CCCOCC1 ZINC000368042754 446621402 /nfs/dbraw/zinc/62/14/02/446621402.db2.gz OGPKNZXHAYVYPQ-KURKYZTESA-N 2 2 325.497 1.188 20 0 EDADLP C[C@@H]1C[NH+](C[C@H]2CCCO2)CC[C@@H]1NCC[N@H+]1CCCOCC1 ZINC000368042754 446621411 /nfs/dbraw/zinc/62/14/11/446621411.db2.gz OGPKNZXHAYVYPQ-KURKYZTESA-N 2 2 325.497 1.188 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423646521 446623370 /nfs/dbraw/zinc/62/33/70/446623370.db2.gz UXQUWKAFGOZMNR-SJLPKXTDSA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423646521 446623374 /nfs/dbraw/zinc/62/33/74/446623374.db2.gz UXQUWKAFGOZMNR-SJLPKXTDSA-N 2 2 335.492 1.478 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCOCC2CC2)([NH+]2CCCCC2)CC1 ZINC000434123574 446625324 /nfs/dbraw/zinc/62/53/24/446625324.db2.gz JVUMYKVZMCIPBN-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000434134488 446625372 /nfs/dbraw/zinc/62/53/72/446625372.db2.gz XMQVAJMNWUYCLQ-HZPDHXFCSA-N 2 2 342.528 1.715 20 0 EDADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371096683 446626541 /nfs/dbraw/zinc/62/65/41/446626541.db2.gz BBDXEOGVTVZYOG-INIZCTEOSA-N 2 2 332.448 1.429 20 0 EDADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371096683 446626545 /nfs/dbraw/zinc/62/65/45/446626545.db2.gz BBDXEOGVTVZYOG-INIZCTEOSA-N 2 2 332.448 1.429 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371096683 446626553 /nfs/dbraw/zinc/62/65/53/446626553.db2.gz BBDXEOGVTVZYOG-INIZCTEOSA-N 2 2 332.448 1.429 20 0 EDADLP CNC(=O)NC(=O)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371096683 446626559 /nfs/dbraw/zinc/62/65/59/446626559.db2.gz BBDXEOGVTVZYOG-INIZCTEOSA-N 2 2 332.448 1.429 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000368180707 446689569 /nfs/dbraw/zinc/68/95/69/446689569.db2.gz SCMIOALFVGQMBU-MRXNPFEDSA-N 2 2 333.436 1.093 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000368180707 446689574 /nfs/dbraw/zinc/68/95/74/446689574.db2.gz SCMIOALFVGQMBU-MRXNPFEDSA-N 2 2 333.436 1.093 20 0 EDADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)cn1 ZINC000423764562 446692607 /nfs/dbraw/zinc/69/26/07/446692607.db2.gz WGDDOKKYVTUINY-LJQANCHMSA-N 2 2 341.459 1.329 20 0 EDADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)cn1 ZINC000423764562 446692613 /nfs/dbraw/zinc/69/26/13/446692613.db2.gz WGDDOKKYVTUINY-LJQANCHMSA-N 2 2 341.459 1.329 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423811533 446701940 /nfs/dbraw/zinc/70/19/40/446701940.db2.gz BZJBXPCXNOTOJJ-JJMVLAAESA-N 2 2 341.377 1.965 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423811533 446701945 /nfs/dbraw/zinc/70/19/45/446701945.db2.gz BZJBXPCXNOTOJJ-JJMVLAAESA-N 2 2 341.377 1.965 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423811532 446702209 /nfs/dbraw/zinc/70/22/09/446702209.db2.gz BZJBXPCXNOTOJJ-HQQWDMGQSA-N 2 2 341.377 1.965 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423811532 446702217 /nfs/dbraw/zinc/70/22/17/446702217.db2.gz BZJBXPCXNOTOJJ-HQQWDMGQSA-N 2 2 341.377 1.965 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423822504 446711501 /nfs/dbraw/zinc/71/15/01/446711501.db2.gz ITSXQVDKNCCUNA-GXTWGEPZSA-N 2 2 327.350 1.847 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)C2([NH3+])CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423822504 446711508 /nfs/dbraw/zinc/71/15/08/446711508.db2.gz ITSXQVDKNCCUNA-GXTWGEPZSA-N 2 2 327.350 1.847 20 0 EDADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3COCC[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000423828631 446717308 /nfs/dbraw/zinc/71/73/08/446717308.db2.gz OHXIEVLMAMKHAK-OKZBNKHCSA-N 2 2 345.443 1.078 20 0 EDADLP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3COCC[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000423828631 446717312 /nfs/dbraw/zinc/71/73/12/446717312.db2.gz OHXIEVLMAMKHAK-OKZBNKHCSA-N 2 2 345.443 1.078 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000423837399 446724070 /nfs/dbraw/zinc/72/40/70/446724070.db2.gz HPKBAIDWLAFDEL-QGZVFWFLSA-N 2 2 332.448 1.273 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000375273270 446684634 /nfs/dbraw/zinc/68/46/34/446684634.db2.gz ZHFLTBAHACFLGI-CYBMUJFWSA-N 2 2 348.472 1.978 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371291077 446747709 /nfs/dbraw/zinc/74/77/09/446747709.db2.gz XPRMZXABBQZBLP-MRXNPFEDSA-N 3 2 339.528 1.137 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371291077 446747713 /nfs/dbraw/zinc/74/77/13/446747713.db2.gz XPRMZXABBQZBLP-MRXNPFEDSA-N 3 2 339.528 1.137 20 0 EDADLP O=C(C[NH2+][C@H]1CCO[C@H]1C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000375436714 446799461 /nfs/dbraw/zinc/79/94/61/446799461.db2.gz LXFQWVWBRMDLLG-WMZOPIPTSA-N 2 2 349.500 1.549 20 0 EDADLP Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000371314145 446766604 /nfs/dbraw/zinc/76/66/04/446766604.db2.gz QLQXIPNQPVRIIR-NVXWUHKLSA-N 2 2 332.448 1.885 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000423925149 446774786 /nfs/dbraw/zinc/77/47/86/446774786.db2.gz FDPRFCNYHRAZGT-HOTGVXAUSA-N 2 2 346.475 1.907 20 0 EDADLP CCOC(=O)CCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371342054 446790249 /nfs/dbraw/zinc/79/02/49/446790249.db2.gz UKRUMWGAMVPTAD-SJORKVTESA-N 2 2 325.497 1.678 20 0 EDADLP CCOC(=O)CCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371342054 446790257 /nfs/dbraw/zinc/79/02/57/446790257.db2.gz UKRUMWGAMVPTAD-SJORKVTESA-N 2 2 325.497 1.678 20 0 EDADLP O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000375436713 446798959 /nfs/dbraw/zinc/79/89/59/446798959.db2.gz LXFQWVWBRMDLLG-SJLPKXTDSA-N 2 2 349.500 1.549 20 0 EDADLP CC1(C[NH+]2CCOCC2)CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000371376020 446815138 /nfs/dbraw/zinc/81/51/38/446815138.db2.gz WWSUDZIDUVWTBS-KRWDZBQOSA-N 2 2 349.450 1.786 20 0 EDADLP Cc1cccn2c(CN3CC[NH+](C4(C(N)=O)CCCC4)CC3)c[nH+]c12 ZINC000371381084 446818551 /nfs/dbraw/zinc/81/85/51/446818551.db2.gz UKKBZQVWRYWZKZ-UHFFFAOYSA-N 2 2 341.459 1.558 20 0 EDADLP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)CC2 ZINC000376987242 446841830 /nfs/dbraw/zinc/84/18/30/446841830.db2.gz HHDMSECEDNJDOH-KRWDZBQOSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)CC2 ZINC000376987242 446841834 /nfs/dbraw/zinc/84/18/34/446841834.db2.gz HHDMSECEDNJDOH-KRWDZBQOSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCCC12CCN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)CC2 ZINC000376987242 446841840 /nfs/dbraw/zinc/84/18/40/446841840.db2.gz HHDMSECEDNJDOH-KRWDZBQOSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCCC12CCN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)CC2 ZINC000376987242 446841844 /nfs/dbraw/zinc/84/18/44/446841844.db2.gz HHDMSECEDNJDOH-KRWDZBQOSA-N 2 2 335.492 1.574 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000375497268 446849062 /nfs/dbraw/zinc/84/90/62/446849062.db2.gz STGNCPKMYLHPFZ-WCXIOVBPSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000375497268 446849066 /nfs/dbraw/zinc/84/90/66/446849066.db2.gz STGNCPKMYLHPFZ-WCXIOVBPSA-N 2 2 346.475 1.067 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438882162 446801777 /nfs/dbraw/zinc/80/17/77/446801777.db2.gz IQOKWWJOGWHHMU-INIZCTEOSA-N 2 2 344.459 1.265 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438882162 446801784 /nfs/dbraw/zinc/80/17/84/446801784.db2.gz IQOKWWJOGWHHMU-INIZCTEOSA-N 2 2 344.459 1.265 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418994033 446852501 /nfs/dbraw/zinc/85/25/01/446852501.db2.gz AYIYBPJNZOECSO-CVEARBPZSA-N 2 2 346.475 1.263 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418994033 446852508 /nfs/dbraw/zinc/85/25/08/446852508.db2.gz AYIYBPJNZOECSO-CVEARBPZSA-N 2 2 346.475 1.263 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000419008705 446864094 /nfs/dbraw/zinc/86/40/94/446864094.db2.gz UMWKWTAMOSTBLB-WBVHZDCISA-N 2 2 346.475 1.276 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000419008705 446864099 /nfs/dbraw/zinc/86/40/99/446864099.db2.gz UMWKWTAMOSTBLB-WBVHZDCISA-N 2 2 346.475 1.276 20 0 EDADLP C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000454529435 446901467 /nfs/dbraw/zinc/90/14/67/446901467.db2.gz ACBFILUOZSLUSG-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)cn21 ZINC000371471146 446877294 /nfs/dbraw/zinc/87/72/94/446877294.db2.gz RLGBUCRPCFCIEZ-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]4CC[N@H+](C)[C@@H]4C3)cn21 ZINC000371471146 446877297 /nfs/dbraw/zinc/87/72/97/446877297.db2.gz RLGBUCRPCFCIEZ-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]4CC[N@@H+](C)[C@H]4C3)cn21 ZINC000371471147 446877448 /nfs/dbraw/zinc/87/74/48/446877448.db2.gz RLGBUCRPCFCIEZ-HOCLYGCPSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]4CC[N@H+](C)[C@H]4C3)cn21 ZINC000371471147 446877455 /nfs/dbraw/zinc/87/74/55/446877455.db2.gz RLGBUCRPCFCIEZ-HOCLYGCPSA-N 2 2 327.432 1.878 20 0 EDADLP C[C@H]1CN(Cc2nn(C)cc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000420930355 446902756 /nfs/dbraw/zinc/90/27/56/446902756.db2.gz FDYLRUWIJSSSLF-ZDUSSCGKSA-N 2 2 325.888 1.674 20 0 EDADLP CCN1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C1=O ZINC000420923964 446892873 /nfs/dbraw/zinc/89/28/73/446892873.db2.gz RMGOOGHCGFROLY-UHFFFAOYSA-N 2 2 345.487 1.962 20 0 EDADLP CCN1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C1=O ZINC000420923964 446892877 /nfs/dbraw/zinc/89/28/77/446892877.db2.gz RMGOOGHCGFROLY-UHFFFAOYSA-N 2 2 345.487 1.962 20 0 EDADLP C[C@H]1CN(Cc2nn(C)cc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000420930355 446902764 /nfs/dbraw/zinc/90/27/64/446902764.db2.gz FDYLRUWIJSSSLF-ZDUSSCGKSA-N 2 2 325.888 1.674 20 0 EDADLP CC1(C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](CO)O1 ZINC000420946668 446918901 /nfs/dbraw/zinc/91/89/01/446918901.db2.gz UKAMSJBRQZBHGI-IBGZPJMESA-N 2 2 347.503 1.670 20 0 EDADLP CC1(C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](CO)O1 ZINC000420946668 446918902 /nfs/dbraw/zinc/91/89/02/446918902.db2.gz UKAMSJBRQZBHGI-IBGZPJMESA-N 2 2 347.503 1.670 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000454639547 446929647 /nfs/dbraw/zinc/92/96/47/446929647.db2.gz CLVDDBVMHBHYMC-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000454639547 446929653 /nfs/dbraw/zinc/92/96/53/446929653.db2.gz CLVDDBVMHBHYMC-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(CO)c1 ZINC000368595473 446967561 /nfs/dbraw/zinc/96/75/61/446967561.db2.gz SSAVCAIAURDZQO-APWZRJJASA-N 2 2 333.476 1.236 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(CO)c1 ZINC000368595476 446967995 /nfs/dbraw/zinc/96/79/95/446967995.db2.gz SSAVCAIAURDZQO-VQIMIIECSA-N 2 2 333.476 1.236 20 0 EDADLP C[C@]1(O)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000375679062 446969840 /nfs/dbraw/zinc/96/98/40/446969840.db2.gz NNYIIQNFPOMXTN-SFHVURJKSA-N 2 2 335.448 1.161 20 0 EDADLP CN(C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454868050 446990676 /nfs/dbraw/zinc/99/06/76/446990676.db2.gz DOIGGVQAJOJMPU-JYJNAYRXSA-N 2 2 338.496 1.221 20 0 EDADLP CN(C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000454868050 446990683 /nfs/dbraw/zinc/99/06/83/446990683.db2.gz DOIGGVQAJOJMPU-JYJNAYRXSA-N 2 2 338.496 1.221 20 0 EDADLP CN(C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454868050 446990695 /nfs/dbraw/zinc/99/06/95/446990695.db2.gz DOIGGVQAJOJMPU-JYJNAYRXSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1[nH+]ccn1CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000413163168 447042231 /nfs/dbraw/zinc/04/22/31/447042231.db2.gz PMDJQXLYQXLHBP-UKRRQHHQSA-N 2 2 330.436 1.691 20 0 EDADLP Cc1[nH+]ccn1CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000413163168 447042238 /nfs/dbraw/zinc/04/22/38/447042238.db2.gz PMDJQXLYQXLHBP-UKRRQHHQSA-N 2 2 330.436 1.691 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)NC(C)(C)C[NH+]1CCOCC1)C(C)(C)C ZINC000413277522 447111547 /nfs/dbraw/zinc/11/15/47/447111547.db2.gz GKBJPDSKAXQLFV-HNNXBMFYSA-N 2 2 342.528 1.763 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCCc2nnc3n2CCCCC3)n1C ZINC000425338009 447121051 /nfs/dbraw/zinc/12/10/51/447121051.db2.gz ARLVBJFQPMBLPO-UHFFFAOYSA-N 2 2 331.468 1.526 20 0 EDADLP C[NH+](C)CCOc1cc(CNc2cc(NC3CC3)[nH+]cn2)ccn1 ZINC000413216898 447074862 /nfs/dbraw/zinc/07/48/62/447074862.db2.gz VYODLOISCBKCJJ-UHFFFAOYSA-N 2 2 328.420 1.998 20 0 EDADLP C[NH+](C)CCOc1cc(CNc2cc(NC3CC3)nc[nH+]2)ccn1 ZINC000413216898 447074870 /nfs/dbraw/zinc/07/48/70/447074870.db2.gz VYODLOISCBKCJJ-UHFFFAOYSA-N 2 2 328.420 1.998 20 0 EDADLP CCN(CCC[NH+]1CCCC1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000425250857 447079364 /nfs/dbraw/zinc/07/93/64/447079364.db2.gz DSGXVCFXEGKBSU-KRWDZBQOSA-N 2 2 347.507 1.998 20 0 EDADLP CCN(CCC[NH+]1CCCC1)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000425250857 447079372 /nfs/dbraw/zinc/07/93/72/447079372.db2.gz DSGXVCFXEGKBSU-KRWDZBQOSA-N 2 2 347.507 1.998 20 0 EDADLP CN(C(=O)NCc1cccc(O)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372487758 447082671 /nfs/dbraw/zinc/08/26/71/447082671.db2.gz STFQULZDGDFQQX-KRWDZBQOSA-N 2 2 346.475 1.702 20 0 EDADLP CN(C(=O)NCc1cccc(O)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372487758 447082680 /nfs/dbraw/zinc/08/26/80/447082680.db2.gz STFQULZDGDFQQX-KRWDZBQOSA-N 2 2 346.475 1.702 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3nnc(C4CC4)n3C)CC2)CC1 ZINC000421265679 447089860 /nfs/dbraw/zinc/08/98/60/447089860.db2.gz UCFXNXVCWNMPKF-UHFFFAOYSA-N 2 2 332.496 1.689 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3nnc(C4CC4)n3C)CC2)CC1 ZINC000421265679 447089862 /nfs/dbraw/zinc/08/98/62/447089862.db2.gz UCFXNXVCWNMPKF-UHFFFAOYSA-N 2 2 332.496 1.689 20 0 EDADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@H]1CC[NH2+]1 ZINC000444183110 447090104 /nfs/dbraw/zinc/09/01/04/447090104.db2.gz MSCMTYOOWJWQNQ-UKRRQHHQSA-N 2 2 325.815 1.922 20 0 EDADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@H]1CC[NH2+]1 ZINC000444183110 447090110 /nfs/dbraw/zinc/09/01/10/447090110.db2.gz MSCMTYOOWJWQNQ-UKRRQHHQSA-N 2 2 325.815 1.922 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000455459717 447135755 /nfs/dbraw/zinc/13/57/55/447135755.db2.gz UFOHYCMSCOKERG-GJZGRUSLSA-N 2 2 337.468 1.620 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000455459717 447135761 /nfs/dbraw/zinc/13/57/61/447135761.db2.gz UFOHYCMSCOKERG-GJZGRUSLSA-N 2 2 337.468 1.620 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cnc4cnccn34)CC2)CC1 ZINC000421383668 447145343 /nfs/dbraw/zinc/14/53/43/447145343.db2.gz ZXPAZXKTACIJLN-UHFFFAOYSA-N 2 2 342.491 1.721 20 0 EDADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc4cnccn34)CC2)CC1 ZINC000421383668 447145348 /nfs/dbraw/zinc/14/53/48/447145348.db2.gz ZXPAZXKTACIJLN-UHFFFAOYSA-N 2 2 342.491 1.721 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cnc4cnccn34)CC2)CC1 ZINC000421383668 447145353 /nfs/dbraw/zinc/14/53/53/447145353.db2.gz ZXPAZXKTACIJLN-UHFFFAOYSA-N 2 2 342.491 1.721 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cnc4cnccn34)CC2)CC1 ZINC000421383668 447145357 /nfs/dbraw/zinc/14/53/57/447145357.db2.gz ZXPAZXKTACIJLN-UHFFFAOYSA-N 2 2 342.491 1.721 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000375963334 447177739 /nfs/dbraw/zinc/17/77/39/447177739.db2.gz SYVRALSCRRBYLN-CVEARBPZSA-N 2 2 349.479 1.513 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000375963334 447177744 /nfs/dbraw/zinc/17/77/44/447177744.db2.gz SYVRALSCRRBYLN-CVEARBPZSA-N 2 2 349.479 1.513 20 0 EDADLP CN1CC[NH+](C[C@@H]2CN(c3cc[nH+]c4ccccc43)CCO2)CC1 ZINC000375983706 447190862 /nfs/dbraw/zinc/19/08/62/447190862.db2.gz FNNBIAIYIUEWQW-MRXNPFEDSA-N 2 2 326.444 1.687 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000372639021 447199953 /nfs/dbraw/zinc/19/99/53/447199953.db2.gz ILGISGDHMQUJGU-GDBMZVCRSA-N 2 2 334.464 1.909 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000455670561 447205490 /nfs/dbraw/zinc/20/54/90/447205490.db2.gz QOUVTXKFHOLFQY-UHFFFAOYSA-N 2 2 345.451 1.342 20 0 EDADLP COC[C@@H](C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000446045870 447219739 /nfs/dbraw/zinc/21/97/39/447219739.db2.gz RPMPMVXITIKJAO-INIZCTEOSA-N 2 2 325.497 1.726 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C[C@@H]1C ZINC000447233399 447270065 /nfs/dbraw/zinc/27/00/65/447270065.db2.gz ZJLIXEHHOZFXOU-DZGCQCFKSA-N 2 2 332.448 1.968 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C[C@@H]1C ZINC000447233399 447270071 /nfs/dbraw/zinc/27/00/71/447270071.db2.gz ZJLIXEHHOZFXOU-DZGCQCFKSA-N 2 2 332.448 1.968 20 0 EDADLP COC(=O)c1coc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000450319612 447453272 /nfs/dbraw/zinc/45/32/72/447453272.db2.gz REOPJJJLGYYNCX-UHFFFAOYSA-N 2 2 337.420 1.396 20 0 EDADLP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000377694138 447300444 /nfs/dbraw/zinc/30/04/44/447300444.db2.gz DGFVWEDHIKTZNU-IAGOWNOFSA-N 2 2 327.432 1.800 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CCO1 ZINC000494907083 447462264 /nfs/dbraw/zinc/46/22/64/447462264.db2.gz IARNFEYYOWDJRX-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CCO1 ZINC000494907083 447462272 /nfs/dbraw/zinc/46/22/72/447462272.db2.gz IARNFEYYOWDJRX-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC000494907083 447462276 /nfs/dbraw/zinc/46/22/76/447462276.db2.gz IARNFEYYOWDJRX-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CCO1 ZINC000494907083 447462281 /nfs/dbraw/zinc/46/22/81/447462281.db2.gz IARNFEYYOWDJRX-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)C1CC1 ZINC000415543636 447507910 /nfs/dbraw/zinc/50/79/10/447507910.db2.gz XSUKGQXMKXJNTR-INIZCTEOSA-N 2 2 340.383 1.666 20 0 EDADLP CC[C@H](C)[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)OC ZINC000458972109 447522376 /nfs/dbraw/zinc/52/23/76/447522376.db2.gz PHYBUAHJLYAINP-DOTOQJQBSA-N 2 2 342.528 1.715 20 0 EDADLP CC[C@H](C)[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)OC ZINC000458972109 447522381 /nfs/dbraw/zinc/52/23/81/447522381.db2.gz PHYBUAHJLYAINP-DOTOQJQBSA-N 2 2 342.528 1.715 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079158 447475381 /nfs/dbraw/zinc/47/53/81/447475381.db2.gz MTTPZFALFLSXDL-CVEARBPZSA-N 2 2 348.495 1.603 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000495079158 447475387 /nfs/dbraw/zinc/47/53/87/447475387.db2.gz MTTPZFALFLSXDL-CVEARBPZSA-N 2 2 348.495 1.603 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000427295774 447576231 /nfs/dbraw/zinc/57/62/31/447576231.db2.gz QDXYMJAYYIJQGL-WBVHZDCISA-N 2 2 341.521 1.090 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000459123488 447584637 /nfs/dbraw/zinc/58/46/37/447584637.db2.gz UJSUOYSKRVHAAJ-GJZGRUSLSA-N 2 2 337.468 1.889 20 0 EDADLP Cc1cc(C)c(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c[nH+]1 ZINC000459084504 447567055 /nfs/dbraw/zinc/56/70/55/447567055.db2.gz UIZWUHQTAXRLPW-KRWDZBQOSA-N 2 2 334.464 1.951 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000450860868 447597156 /nfs/dbraw/zinc/59/71/56/447597156.db2.gz OXWBORTVRXSLSX-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000459163361 447601971 /nfs/dbraw/zinc/60/19/71/447601971.db2.gz BGOKAXQEQSVQBZ-UHFFFAOYSA-N 2 2 329.448 1.736 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416890326 447702673 /nfs/dbraw/zinc/70/26/73/447702673.db2.gz LOPYSKDORDJOPP-KSZLIROESA-N 2 2 346.475 1.487 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC(C)(C)CC[NH3+])c[nH+]2)CCO1 ZINC000422589071 447658505 /nfs/dbraw/zinc/65/85/05/447658505.db2.gz ISKFWCHRXGMKIW-CYBMUJFWSA-N 2 2 335.452 1.233 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1ccco1 ZINC000416803415 447687360 /nfs/dbraw/zinc/68/73/60/447687360.db2.gz CDFRWWRXUQCRCS-VXGBXAGGSA-N 2 2 330.379 1.426 20 0 EDADLP CC[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000451254836 447713106 /nfs/dbraw/zinc/71/31/06/447713106.db2.gz LZTMJFVWBCHZPU-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP CC[C@H]1[C@H](CO)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000451254836 447713113 /nfs/dbraw/zinc/71/31/13/447713113.db2.gz LZTMJFVWBCHZPU-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](CCCCn3cc[nH+]c3C)[C@H](C)C2)[nH]n1 ZINC000459597830 447717271 /nfs/dbraw/zinc/71/72/71/447717271.db2.gz VYBYZUOULXKLIS-OAHLLOKOSA-N 2 2 344.463 1.850 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](CCCCn3cc[nH+]c3C)[C@H](C)C2)[nH]n1 ZINC000459597830 447717286 /nfs/dbraw/zinc/71/72/86/447717286.db2.gz VYBYZUOULXKLIS-OAHLLOKOSA-N 2 2 344.463 1.850 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](CCCCn3cc[nH+]c3C)[C@H](C)C2)n[nH]1 ZINC000459597830 447717294 /nfs/dbraw/zinc/71/72/94/447717294.db2.gz VYBYZUOULXKLIS-OAHLLOKOSA-N 2 2 344.463 1.850 20 0 EDADLP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422831884 447763779 /nfs/dbraw/zinc/76/37/79/447763779.db2.gz KCEILVDUHRLTCR-AZUAARDMSA-N 3 2 330.520 1.924 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000416945293 447721497 /nfs/dbraw/zinc/72/14/97/447721497.db2.gz FEYCRSSITGZTIQ-INIZCTEOSA-N 2 2 327.432 1.477 20 0 EDADLP CCNC(=O)COc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422711048 447723291 /nfs/dbraw/zinc/72/32/91/447723291.db2.gz MTKZCLDPKRYDQY-IEBWSBKVSA-N 2 2 347.459 1.058 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496145696 447729054 /nfs/dbraw/zinc/72/90/54/447729054.db2.gz GTCNJLSLZQUTCL-PMPSAXMXSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000496145696 447729056 /nfs/dbraw/zinc/72/90/56/447729056.db2.gz GTCNJLSLZQUTCL-PMPSAXMXSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422722710 447729027 /nfs/dbraw/zinc/72/90/27/447729027.db2.gz YOLBIOZSRNUROA-MISYRCLQSA-N 3 2 331.504 1.908 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422722710 447729030 /nfs/dbraw/zinc/72/90/30/447729030.db2.gz YOLBIOZSRNUROA-MISYRCLQSA-N 3 2 331.504 1.908 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000459645238 447730321 /nfs/dbraw/zinc/73/03/21/447730321.db2.gz LCVYKZJBJCERCN-CVEARBPZSA-N 2 2 337.489 1.701 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000459645238 447730323 /nfs/dbraw/zinc/73/03/23/447730323.db2.gz LCVYKZJBJCERCN-CVEARBPZSA-N 2 2 337.489 1.701 20 0 EDADLP c1cnn(Cc2cccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)c2)c1 ZINC000422736355 447733140 /nfs/dbraw/zinc/73/31/40/447733140.db2.gz XVULCVPXMSSQPL-MOPGFXCFSA-N 2 2 326.444 1.788 20 0 EDADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000422739446 447734413 /nfs/dbraw/zinc/73/44/13/447734413.db2.gz LHZZRYAOIDZDOA-YLJYHZDGSA-N 3 2 332.536 1.808 20 0 EDADLP COc1ccccc1[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N(C)C ZINC000422749387 447738435 /nfs/dbraw/zinc/73/84/35/447738435.db2.gz YWWWRVFTTCCEIG-UHOSZYNNSA-N 2 2 333.476 1.655 20 0 EDADLP COc1ccccc1[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000422749387 447738442 /nfs/dbraw/zinc/73/84/42/447738442.db2.gz YWWWRVFTTCCEIG-UHOSZYNNSA-N 2 2 333.476 1.655 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000458181786 447738360 /nfs/dbraw/zinc/73/83/60/447738360.db2.gz ZYGARNBHTCJEJF-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000458181786 447738366 /nfs/dbraw/zinc/73/83/66/447738366.db2.gz ZYGARNBHTCJEJF-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000496398483 447764932 /nfs/dbraw/zinc/76/49/32/447764932.db2.gz OMRYXGPZAZUNDP-HZPDHXFCSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000496398483 447764935 /nfs/dbraw/zinc/76/49/35/447764935.db2.gz OMRYXGPZAZUNDP-HZPDHXFCSA-N 2 2 341.496 1.822 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422762891 447743329 /nfs/dbraw/zinc/74/33/29/447743329.db2.gz NARLQQKAQNRQKS-FUHWJXTLSA-N 2 2 330.476 1.455 20 0 EDADLP [NH3+][C@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000422771315 447746375 /nfs/dbraw/zinc/74/63/75/447746375.db2.gz XXWPQWAWGCEACQ-DLBZAZTESA-N 2 2 331.441 1.699 20 0 EDADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1(N2CCOCC2)CCCCC1 ZINC000422770315 447746549 /nfs/dbraw/zinc/74/65/49/447746549.db2.gz WAAOKYMQUZFZTI-ROUUACIJSA-N 2 2 337.508 1.378 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000422774938 447747340 /nfs/dbraw/zinc/74/73/40/447747340.db2.gz ZABIEQBXODKJFT-MRXNPFEDSA-N 2 2 347.459 1.272 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000422774938 447747347 /nfs/dbraw/zinc/74/73/47/447747347.db2.gz ZABIEQBXODKJFT-MRXNPFEDSA-N 2 2 347.459 1.272 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000429431356 447748076 /nfs/dbraw/zinc/74/80/76/447748076.db2.gz YWDMHLZBFYIWSC-HOCLYGCPSA-N 2 2 340.489 1.679 20 0 EDADLP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000429431356 447748078 /nfs/dbraw/zinc/74/80/78/447748078.db2.gz YWDMHLZBFYIWSC-HOCLYGCPSA-N 2 2 340.489 1.679 20 0 EDADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422816657 447757658 /nfs/dbraw/zinc/75/76/58/447757658.db2.gz FQAQVHXZDQULGR-LSDHHAIUSA-N 2 2 325.478 1.687 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422940388 447776616 /nfs/dbraw/zinc/77/66/16/447776616.db2.gz SSMCIUFNLJPXOQ-GJZGRUSLSA-N 2 2 335.448 1.570 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000430555020 447777118 /nfs/dbraw/zinc/77/71/18/447777118.db2.gz HMDCTKBSCMJFQX-KKUMJFAQSA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000430555020 447777120 /nfs/dbraw/zinc/77/71/20/447777120.db2.gz HMDCTKBSCMJFQX-KKUMJFAQSA-N 2 2 333.432 1.002 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430566711 447780381 /nfs/dbraw/zinc/78/03/81/447780381.db2.gz IDMIGVIGLWPKTM-DOTOQJQBSA-N 2 2 341.459 1.548 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430566711 447780385 /nfs/dbraw/zinc/78/03/85/447780385.db2.gz IDMIGVIGLWPKTM-DOTOQJQBSA-N 2 2 341.459 1.548 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430591573 447781393 /nfs/dbraw/zinc/78/13/93/447781393.db2.gz OISIEJGPPUXCTJ-ZIAGYGMSSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430591573 447781396 /nfs/dbraw/zinc/78/13/96/447781396.db2.gz OISIEJGPPUXCTJ-ZIAGYGMSSA-N 2 2 333.432 1.846 20 0 EDADLP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430591359 447781447 /nfs/dbraw/zinc/78/14/47/447781447.db2.gz FDVRNJPSPPARIE-UHFFFAOYSA-N 2 2 334.464 1.315 20 0 EDADLP CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000422963380 447782552 /nfs/dbraw/zinc/78/25/52/447782552.db2.gz IICBTSWWPWNULF-IHPCNDPISA-N 3 2 332.536 1.807 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000430929764 447788032 /nfs/dbraw/zinc/78/80/32/447788032.db2.gz QHSRWHKSHYIGMU-ORIJERBGSA-N 2 2 347.459 1.693 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000430929764 447788035 /nfs/dbraw/zinc/78/80/35/447788035.db2.gz QHSRWHKSHYIGMU-ORIJERBGSA-N 2 2 347.459 1.693 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)nc1 ZINC000423030428 447794332 /nfs/dbraw/zinc/79/43/32/447794332.db2.gz JROGLJKXNSOBOA-BBRMVZONSA-N 2 2 332.448 1.567 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000496581333 447826201 /nfs/dbraw/zinc/82/62/01/447826201.db2.gz LDLFNFWLTGEGFR-VNQPRFMTSA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000496581333 447826203 /nfs/dbraw/zinc/82/62/03/447826203.db2.gz LDLFNFWLTGEGFR-VNQPRFMTSA-N 2 2 339.480 1.695 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000496796884 447920980 /nfs/dbraw/zinc/92/09/80/447920980.db2.gz FQPVKOJEPINBIR-LSDHHAIUSA-N 2 2 329.485 1.678 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000496796884 447920984 /nfs/dbraw/zinc/92/09/84/447920984.db2.gz FQPVKOJEPINBIR-LSDHHAIUSA-N 2 2 329.485 1.678 20 0 EDADLP COc1ccnc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000569962437 447929106 /nfs/dbraw/zinc/92/91/06/447929106.db2.gz XRFCCVXWBKEAGL-AWEZNQCLSA-N 2 2 341.415 1.602 20 0 EDADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569989419 447930988 /nfs/dbraw/zinc/93/09/88/447930988.db2.gz YTVAKLJFDVEEMD-QZTJIDSGSA-N 3 2 344.503 1.388 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569989419 447930993 /nfs/dbraw/zinc/93/09/93/447930993.db2.gz YTVAKLJFDVEEMD-QZTJIDSGSA-N 3 2 344.503 1.388 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569989419 447930996 /nfs/dbraw/zinc/93/09/96/447930996.db2.gz YTVAKLJFDVEEMD-QZTJIDSGSA-N 3 2 344.503 1.388 20 0 EDADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000569989419 447930999 /nfs/dbraw/zinc/93/09/99/447930999.db2.gz YTVAKLJFDVEEMD-QZTJIDSGSA-N 3 2 344.503 1.388 20 0 EDADLP CCOc1ccc(F)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1F ZINC000570026977 447935480 /nfs/dbraw/zinc/93/54/80/447935480.db2.gz IALPBHLMKMGGPF-SNVBAGLBSA-N 2 2 328.363 1.470 20 0 EDADLP CCOc1ccc(F)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1F ZINC000570026977 447935483 /nfs/dbraw/zinc/93/54/83/447935483.db2.gz IALPBHLMKMGGPF-SNVBAGLBSA-N 2 2 328.363 1.470 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnc[nH]1 ZINC000530950479 447991026 /nfs/dbraw/zinc/99/10/26/447991026.db2.gz FGVNEPXATNHSFV-UHFFFAOYSA-N 2 2 333.480 1.678 20 0 EDADLP CCCCNc1cc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000553482967 447994501 /nfs/dbraw/zinc/99/45/01/447994501.db2.gz MKCXVCYTANVVGT-CABCVRRESA-N 2 2 348.495 1.748 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc3ncccc3c2)C[C@@H](C)O1 ZINC000576220916 448002107 /nfs/dbraw/zinc/00/21/07/448002107.db2.gz JFASEHACPJKEKV-RKVPGOIHSA-N 2 2 329.444 1.795 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000570398139 448003905 /nfs/dbraw/zinc/00/39/05/448003905.db2.gz ITBGTWFEJSTDLW-OAHLLOKOSA-N 2 2 334.449 1.106 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000496906581 448023468 /nfs/dbraw/zinc/02/34/68/448023468.db2.gz GHMONSIOQAMXMS-IAGOWNOFSA-N 2 2 341.496 1.774 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000496906581 448023472 /nfs/dbraw/zinc/02/34/72/448023472.db2.gz GHMONSIOQAMXMS-IAGOWNOFSA-N 2 2 341.496 1.774 20 0 EDADLP CCN(CC)C(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000496906581 448023475 /nfs/dbraw/zinc/02/34/75/448023475.db2.gz GHMONSIOQAMXMS-IAGOWNOFSA-N 2 2 341.496 1.774 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000498426886 448078045 /nfs/dbraw/zinc/07/80/45/448078045.db2.gz AOCXPVHMVTYWBW-VQHPVUNQSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000498426886 448078050 /nfs/dbraw/zinc/07/80/50/448078050.db2.gz AOCXPVHMVTYWBW-VQHPVUNQSA-N 2 2 328.460 1.897 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000531443509 448085085 /nfs/dbraw/zinc/08/50/85/448085085.db2.gz RWAIQKCQYNDBKK-INIZCTEOSA-N 2 2 346.475 1.443 20 0 EDADLP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000531443509 448085088 /nfs/dbraw/zinc/08/50/88/448085088.db2.gz RWAIQKCQYNDBKK-INIZCTEOSA-N 2 2 346.475 1.443 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1nn[nH]n1 ZINC000556812877 448159917 /nfs/dbraw/zinc/15/99/17/448159917.db2.gz ZKVZKLFAPYHOOO-AWEZNQCLSA-N 2 2 343.435 1.029 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000576747804 448130431 /nfs/dbraw/zinc/13/04/31/448130431.db2.gz CUDINPGICFXWIL-QZTJIDSGSA-N 2 2 349.519 1.559 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000576747804 448130436 /nfs/dbraw/zinc/13/04/36/448130436.db2.gz CUDINPGICFXWIL-QZTJIDSGSA-N 2 2 349.519 1.559 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)C2 ZINC000526997232 448134653 /nfs/dbraw/zinc/13/46/53/448134653.db2.gz OVYXZAQOZROAHA-ZIAGYGMSSA-N 2 2 334.464 1.427 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)CC2 ZINC000526997232 448134660 /nfs/dbraw/zinc/13/46/60/448134660.db2.gz OVYXZAQOZROAHA-ZIAGYGMSSA-N 2 2 334.464 1.427 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000576812778 448145256 /nfs/dbraw/zinc/14/52/56/448145256.db2.gz MSOFDZYFDVJDMO-QZTJIDSGSA-N 2 2 348.491 1.975 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000576812778 448145260 /nfs/dbraw/zinc/14/52/60/448145260.db2.gz MSOFDZYFDVJDMO-QZTJIDSGSA-N 2 2 348.491 1.975 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000576812778 448145262 /nfs/dbraw/zinc/14/52/62/448145262.db2.gz MSOFDZYFDVJDMO-QZTJIDSGSA-N 2 2 348.491 1.975 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000576812778 448145277 /nfs/dbraw/zinc/14/52/77/448145277.db2.gz MSOFDZYFDVJDMO-QZTJIDSGSA-N 2 2 348.491 1.975 20 0 EDADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CCS(=O)(=O)CC1 ZINC000514633556 448175698 /nfs/dbraw/zinc/17/56/98/448175698.db2.gz GRRCAIODNXRWKY-CYBMUJFWSA-N 2 2 334.445 1.952 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000557113662 448181682 /nfs/dbraw/zinc/18/16/82/448181682.db2.gz OEGKGKZQIFADQD-DLBZAZTESA-N 2 2 343.475 1.869 20 0 EDADLP CCCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000571896250 448231940 /nfs/dbraw/zinc/23/19/40/448231940.db2.gz ZPIJFWRQNQPMJT-HUUCEWRRSA-N 2 2 333.432 1.228 20 0 EDADLP CCCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1OC ZINC000571896250 448231944 /nfs/dbraw/zinc/23/19/44/448231944.db2.gz ZPIJFWRQNQPMJT-HUUCEWRRSA-N 2 2 333.432 1.228 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000571896681 448232027 /nfs/dbraw/zinc/23/20/27/448232027.db2.gz BOPVJQCGIQLJOY-HUUCEWRRSA-N 2 2 334.468 1.043 20 0 EDADLP Cc1ccc(/C=C/C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000492526055 448234196 /nfs/dbraw/zinc/23/41/96/448234196.db2.gz ADZSINJMDFSGNT-BQYQJAHWSA-N 2 2 330.476 1.888 20 0 EDADLP Cc1ccc(/C=C/C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000492526055 448234202 /nfs/dbraw/zinc/23/42/02/448234202.db2.gz ADZSINJMDFSGNT-BQYQJAHWSA-N 2 2 330.476 1.888 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000577132265 448216909 /nfs/dbraw/zinc/21/69/09/448216909.db2.gz ICKVCOZIDDMXCK-UHFFFAOYSA-N 3 2 348.535 1.489 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000532230840 448218913 /nfs/dbraw/zinc/21/89/13/448218913.db2.gz IMTBNLAHINXRDJ-SJLPKXTDSA-N 3 2 332.492 1.338 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000532230840 448218914 /nfs/dbraw/zinc/21/89/14/448218914.db2.gz IMTBNLAHINXRDJ-SJLPKXTDSA-N 3 2 332.492 1.338 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3coc(-c4cccc(Cl)c4)n3)CCN2C1=O ZINC000571940632 448241899 /nfs/dbraw/zinc/24/18/99/448241899.db2.gz YBVXIPLVZVQXTF-CABCVRRESA-N 2 2 346.818 1.739 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)CCN2C1=O ZINC000571940632 448241907 /nfs/dbraw/zinc/24/19/07/448241907.db2.gz YBVXIPLVZVQXTF-CABCVRRESA-N 2 2 346.818 1.739 20 0 EDADLP Cc1noc([C@H](C)N(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000572012825 448262805 /nfs/dbraw/zinc/26/28/05/448262805.db2.gz WSDJYMMXMPSRQO-LBPRGKRZSA-N 2 2 338.456 1.106 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000582713375 448317885 /nfs/dbraw/zinc/31/78/85/448317885.db2.gz FEHAEDINMAJUMS-OLZOCXBDSA-N 2 2 330.354 1.574 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000582713375 448317889 /nfs/dbraw/zinc/31/78/89/448317889.db2.gz FEHAEDINMAJUMS-OLZOCXBDSA-N 2 2 330.354 1.574 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000591178455 448280072 /nfs/dbraw/zinc/28/00/72/448280072.db2.gz LPQGXPDXSZSQPF-ZIAGYGMSSA-N 2 2 339.480 1.249 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000591178455 448280076 /nfs/dbraw/zinc/28/00/76/448280076.db2.gz LPQGXPDXSZSQPF-ZIAGYGMSSA-N 2 2 339.480 1.249 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000572147804 448300953 /nfs/dbraw/zinc/30/09/53/448300953.db2.gz MINQIUDVYTYCJR-LFGUQSLTSA-N 2 2 347.503 1.633 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000572263142 448331548 /nfs/dbraw/zinc/33/15/48/448331548.db2.gz IDDXRFNROWDGRU-NVXWUHKLSA-N 2 2 339.443 1.806 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CO1 ZINC000566166452 448402022 /nfs/dbraw/zinc/40/20/22/448402022.db2.gz AFKZKVJUFCHJGL-CVEARBPZSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@]3(C)CCC(=O)N3)c2cc1C ZINC000583019555 448404205 /nfs/dbraw/zinc/40/42/05/448404205.db2.gz CHLMJGHLGFNIQE-KSSFIOAISA-N 2 2 330.432 1.272 20 0 EDADLP COc1ccc(C)cc1CC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000577947917 448422645 /nfs/dbraw/zinc/42/26/45/448422645.db2.gz HCGZYZXDVXRXGH-NUJGCVRESA-N 2 2 336.476 1.606 20 0 EDADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1[nH+]ccc2cc(F)ccc21 ZINC000528132405 448441312 /nfs/dbraw/zinc/44/13/12/448441312.db2.gz RIXVDISXEVSIAJ-IBGZPJMESA-N 2 2 345.418 2.402 20 0 EDADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1[nH+]ccc2cc(F)ccc21 ZINC000528132405 448441318 /nfs/dbraw/zinc/44/13/18/448441318.db2.gz RIXVDISXEVSIAJ-IBGZPJMESA-N 2 2 345.418 2.402 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccccc2-n2cccn2)C[C@@H](C)O1 ZINC000572834725 448475007 /nfs/dbraw/zinc/47/50/07/448475007.db2.gz XWZZMBQSKUDQRZ-JFIYKMOQSA-N 2 2 344.459 1.432 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000584399912 448510941 /nfs/dbraw/zinc/51/09/41/448510941.db2.gz IFNSQZDWKONRJJ-OKZBNKHCSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000584399912 448510943 /nfs/dbraw/zinc/51/09/43/448510943.db2.gz IFNSQZDWKONRJJ-OKZBNKHCSA-N 2 2 346.475 1.439 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCCOc1cccc(F)c1 ZINC000591869155 448515676 /nfs/dbraw/zinc/51/56/76/448515676.db2.gz MPXDOLAKCZYGMA-MRXNPFEDSA-N 2 2 346.406 1.854 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCCOc1cccc(F)c1 ZINC000591869155 448515681 /nfs/dbraw/zinc/51/56/81/448515681.db2.gz MPXDOLAKCZYGMA-MRXNPFEDSA-N 2 2 346.406 1.854 20 0 EDADLP CC(C)OC[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000566850871 448569711 /nfs/dbraw/zinc/56/97/11/448569711.db2.gz UGMIMFNOCGIJCC-LJQANCHMSA-N 2 2 335.492 1.574 20 0 EDADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000573098174 448543340 /nfs/dbraw/zinc/54/33/40/448543340.db2.gz GVPQBUOMFXHBPN-HKUYNNGSSA-N 2 2 341.459 1.986 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567049457 448605051 /nfs/dbraw/zinc/60/50/51/448605051.db2.gz VXMIXERPHIENGT-SFHVURJKSA-N 2 2 330.432 1.659 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567049457 448605056 /nfs/dbraw/zinc/60/50/56/448605056.db2.gz VXMIXERPHIENGT-SFHVURJKSA-N 2 2 330.432 1.659 20 0 EDADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000567059292 448606710 /nfs/dbraw/zinc/60/67/10/448606710.db2.gz ULVKQBGABYZKAZ-HNAYVOBHSA-N 2 2 336.451 1.914 20 0 EDADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000567059292 448606711 /nfs/dbraw/zinc/60/67/11/448606711.db2.gz ULVKQBGABYZKAZ-HNAYVOBHSA-N 2 2 336.451 1.914 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000517754676 448615557 /nfs/dbraw/zinc/61/55/57/448615557.db2.gz CYXQPWRCBYODCD-FUHWJXTLSA-N 2 2 345.487 1.663 20 0 EDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000517754676 448615561 /nfs/dbraw/zinc/61/55/61/448615561.db2.gz CYXQPWRCBYODCD-FUHWJXTLSA-N 2 2 345.487 1.663 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000578586013 448583882 /nfs/dbraw/zinc/58/38/82/448583882.db2.gz HUEXZVTVWKTFHA-OAGGEKHMSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000578586013 448583887 /nfs/dbraw/zinc/58/38/87/448583887.db2.gz HUEXZVTVWKTFHA-OAGGEKHMSA-N 2 2 328.501 1.515 20 0 EDADLP CCNc1nc(NCC2CC[NH+](CC)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000517602688 448598988 /nfs/dbraw/zinc/59/89/88/448598988.db2.gz LSOHIHPJKKZEEB-UHFFFAOYSA-N 2 2 335.500 1.501 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(NCC2CC[NH+](CC)CC2)[nH+]1 ZINC000517602688 448598997 /nfs/dbraw/zinc/59/89/97/448598997.db2.gz LSOHIHPJKKZEEB-UHFFFAOYSA-N 2 2 335.500 1.501 20 0 EDADLP CCNc1nc(NCC2CC[NH+](CC)CC2)[nH+]c(NC(C)(C)C)n1 ZINC000517602688 448599002 /nfs/dbraw/zinc/59/90/02/448599002.db2.gz LSOHIHPJKKZEEB-UHFFFAOYSA-N 2 2 335.500 1.501 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000573547890 448654731 /nfs/dbraw/zinc/65/47/31/448654731.db2.gz SODMADYMOWHAAR-QZTJIDSGSA-N 2 2 346.475 1.420 20 0 EDADLP C[C@@H](c1ccc(NC[C@@H](O)C[NH+]2CCOCC2)cc1)[NH+]1CCOCC1 ZINC000578759852 448629244 /nfs/dbraw/zinc/62/92/44/448629244.db2.gz MVDYTHJMDDETIV-QFBILLFUSA-N 2 2 349.475 1.185 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCN(Cc1ccccc1)S(C)(=O)=O ZINC000573455356 448633083 /nfs/dbraw/zinc/63/30/83/448633083.db2.gz MFBVWSDQCKCQBP-ZBFHGGJFSA-N 2 2 325.478 1.260 20 0 EDADLP Cc1cnc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000540245201 448633893 /nfs/dbraw/zinc/63/38/93/448633893.db2.gz NOKHOGKHVRCTQS-CALCHBBNSA-N 2 2 348.491 1.875 20 0 EDADLP Cc1cnc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000540245201 448633899 /nfs/dbraw/zinc/63/38/99/448633899.db2.gz NOKHOGKHVRCTQS-CALCHBBNSA-N 2 2 348.491 1.875 20 0 EDADLP COc1ccc(-c2cnc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)o2)cc1 ZINC000573817688 448722057 /nfs/dbraw/zinc/72/20/57/448722057.db2.gz ZJQXYCTYSHZHCB-HIFRSBDPSA-N 2 2 342.399 1.094 20 0 EDADLP COc1ccc(-c2cnc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)o2)cc1 ZINC000573817688 448722063 /nfs/dbraw/zinc/72/20/63/448722063.db2.gz ZJQXYCTYSHZHCB-HIFRSBDPSA-N 2 2 342.399 1.094 20 0 EDADLP COc1cc2c(cc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)O[C@H](C)C2 ZINC000518622315 448694413 /nfs/dbraw/zinc/69/44/13/448694413.db2.gz NDABWGNEDRUEBY-CZUORRHYSA-N 2 2 347.459 1.448 20 0 EDADLP COc1cc2c(cc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)O[C@H](C)C2 ZINC000518622315 448694420 /nfs/dbraw/zinc/69/44/20/448694420.db2.gz NDABWGNEDRUEBY-CZUORRHYSA-N 2 2 347.459 1.448 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000573723986 448699251 /nfs/dbraw/zinc/69/92/51/448699251.db2.gz JZOVRDNIJOCZML-LPHOPBHVSA-N 2 2 329.444 1.876 20 0 EDADLP COc1ccccc1N1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000573723986 448699256 /nfs/dbraw/zinc/69/92/56/448699256.db2.gz JZOVRDNIJOCZML-LPHOPBHVSA-N 2 2 329.444 1.876 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(=O)NCc1ccccc1 ZINC000579100427 448713928 /nfs/dbraw/zinc/71/39/28/448713928.db2.gz YYCCQPHGAHPWIE-SJORKVTESA-N 2 2 344.459 1.476 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(=O)NCc1ccccc1 ZINC000579100427 448713930 /nfs/dbraw/zinc/71/39/30/448713930.db2.gz YYCCQPHGAHPWIE-SJORKVTESA-N 2 2 344.459 1.476 20 0 EDADLP CN(CCC(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cc[nH+]cc1 ZINC000542785599 448719094 /nfs/dbraw/zinc/71/90/94/448719094.db2.gz NQFMMIFQAXEKDC-UHFFFAOYSA-N 2 2 341.337 1.983 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000567363755 448676506 /nfs/dbraw/zinc/67/65/06/448676506.db2.gz TVNVUAOKABBFLH-GOSISDBHSA-N 2 2 333.476 1.456 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000567363755 448676510 /nfs/dbraw/zinc/67/65/10/448676510.db2.gz TVNVUAOKABBFLH-GOSISDBHSA-N 2 2 333.476 1.456 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000567363755 448676513 /nfs/dbraw/zinc/67/65/13/448676513.db2.gz TVNVUAOKABBFLH-GOSISDBHSA-N 2 2 333.476 1.456 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000567363755 448676517 /nfs/dbraw/zinc/67/65/17/448676517.db2.gz TVNVUAOKABBFLH-GOSISDBHSA-N 2 2 333.476 1.456 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)ccc2n1C ZINC000573665484 448682990 /nfs/dbraw/zinc/68/29/90/448682990.db2.gz CBUWJJSKNSRDFC-WCQYABFASA-N 2 2 343.431 1.406 20 0 EDADLP c1ccc(-n2nnnc2CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000519365273 448761840 /nfs/dbraw/zinc/76/18/40/448761840.db2.gz FNJWIUAONHPUDQ-DLBZAZTESA-N 2 2 326.448 1.811 20 0 EDADLP c1ccc(-n2nnnc2CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000519365273 448761844 /nfs/dbraw/zinc/76/18/44/448761844.db2.gz FNJWIUAONHPUDQ-DLBZAZTESA-N 2 2 326.448 1.811 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000573834330 448725826 /nfs/dbraw/zinc/72/58/26/448725826.db2.gz YWKQZEZQFUXJAQ-ROUUACIJSA-N 2 2 336.476 1.744 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000573834330 448725830 /nfs/dbraw/zinc/72/58/30/448725830.db2.gz YWKQZEZQFUXJAQ-ROUUACIJSA-N 2 2 336.476 1.744 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@H](O)CC2CCCC2)C1=O ZINC000518966675 448725979 /nfs/dbraw/zinc/72/59/79/448725979.db2.gz WABHEJNZDDZGSR-CVEARBPZSA-N 2 2 334.464 1.442 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000579138185 448726058 /nfs/dbraw/zinc/72/60/58/448726058.db2.gz NTHFMSXVXGBDOC-CRAIPNDOSA-N 2 2 341.459 1.359 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000579138185 448726063 /nfs/dbraw/zinc/72/60/63/448726063.db2.gz NTHFMSXVXGBDOC-CRAIPNDOSA-N 2 2 341.459 1.359 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000573838482 448727460 /nfs/dbraw/zinc/72/74/60/448727460.db2.gz DPDBBODFDJJPAC-NWDGAFQWSA-N 2 2 345.369 1.681 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3[nH+]ccn3CC(F)(F)F)[C@@H]2C1 ZINC000573838482 448727464 /nfs/dbraw/zinc/72/74/64/448727464.db2.gz DPDBBODFDJJPAC-NWDGAFQWSA-N 2 2 345.369 1.681 20 0 EDADLP COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000592205367 448743113 /nfs/dbraw/zinc/74/31/13/448743113.db2.gz KFNTZYIRRFJTOL-RDJZCZTQSA-N 2 2 329.400 1.537 20 0 EDADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000592205367 448743120 /nfs/dbraw/zinc/74/31/20/448743120.db2.gz KFNTZYIRRFJTOL-RDJZCZTQSA-N 2 2 329.400 1.537 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3noc4ccccc34)cn2)CC1 ZINC000579258173 448756513 /nfs/dbraw/zinc/75/65/13/448756513.db2.gz DUPLJOGEMKHELX-UHFFFAOYSA-N 2 2 338.415 1.659 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000545860434 448802059 /nfs/dbraw/zinc/80/20/59/448802059.db2.gz KAKHLZMGQWOQGB-MRXNPFEDSA-N 2 2 329.448 1.612 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000545860434 448802064 /nfs/dbraw/zinc/80/20/64/448802064.db2.gz KAKHLZMGQWOQGB-MRXNPFEDSA-N 2 2 329.448 1.612 20 0 EDADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000519635123 448807012 /nfs/dbraw/zinc/80/70/12/448807012.db2.gz UZEHVBGJQYSIHD-DOTOQJQBSA-N 3 2 347.507 1.400 20 0 EDADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000519635123 448807018 /nfs/dbraw/zinc/80/70/18/448807018.db2.gz UZEHVBGJQYSIHD-DOTOQJQBSA-N 3 2 347.507 1.400 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2C(=O)N2CCCC2)[C@H](C[NH3+])C1 ZINC000519529278 448777962 /nfs/dbraw/zinc/77/79/62/448777962.db2.gz QEGJEMBYICETLT-CQSZACIVSA-N 2 2 345.447 1.029 20 0 EDADLP Cc1nc(N2CCN(C(=O)CCN(C)c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000545403141 448794437 /nfs/dbraw/zinc/79/44/37/448794437.db2.gz NZRJSLRKTLZYLP-UHFFFAOYSA-N 2 2 340.431 1.355 20 0 EDADLP CC(C)Oc1ccccc1[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579571269 448823393 /nfs/dbraw/zinc/82/33/93/448823393.db2.gz UFENQUFOHUXCMY-HUUCEWRRSA-N 2 2 334.464 1.819 20 0 EDADLP CC(C)Oc1ccccc1[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579571269 448823400 /nfs/dbraw/zinc/82/34/00/448823400.db2.gz UFENQUFOHUXCMY-HUUCEWRRSA-N 2 2 334.464 1.819 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@H+]3CC=CCC3)CC2)CC1 ZINC000574291280 448838802 /nfs/dbraw/zinc/83/88/02/448838802.db2.gz DBXYWSAMYQKNSI-UHFFFAOYSA-N 3 2 348.535 1.561 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[N@@H+]3CC=CCC3)CC2)CC1 ZINC000574291280 448838807 /nfs/dbraw/zinc/83/88/07/448838807.db2.gz DBXYWSAMYQKNSI-UHFFFAOYSA-N 3 2 348.535 1.561 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCN(c2ccccc2F)C1=O)C1CC1 ZINC000579702447 448856168 /nfs/dbraw/zinc/85/61/68/448856168.db2.gz UYKUNTZVUSGKPP-ZBFHGGJFSA-N 2 2 335.423 1.366 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCN(c2ccccc2F)C1=O)C1CC1 ZINC000579702447 448856175 /nfs/dbraw/zinc/85/61/75/448856175.db2.gz UYKUNTZVUSGKPP-ZBFHGGJFSA-N 2 2 335.423 1.366 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOc2ncccc2Cl)C[C@@H](C)O1 ZINC000579824415 448885639 /nfs/dbraw/zinc/88/56/39/448885639.db2.gz HGWDWQXIBPUMKI-MCIONIFRSA-N 2 2 343.855 1.174 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574528823 448896170 /nfs/dbraw/zinc/89/61/70/448896170.db2.gz OJWDQKTYVBLFET-OAGGEKHMSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574528823 448896174 /nfs/dbraw/zinc/89/61/74/448896174.db2.gz OJWDQKTYVBLFET-OAGGEKHMSA-N 2 2 344.496 1.225 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574528823 448896178 /nfs/dbraw/zinc/89/61/78/448896178.db2.gz OJWDQKTYVBLFET-OAGGEKHMSA-N 2 2 344.496 1.225 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568749946 448912853 /nfs/dbraw/zinc/91/28/53/448912853.db2.gz OQUGUKDRVUJORP-MAUKXSAKSA-N 2 2 334.464 2.556 20 0 EDADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000568749946 448912858 /nfs/dbraw/zinc/91/28/58/448912858.db2.gz OQUGUKDRVUJORP-MAUKXSAKSA-N 2 2 334.464 2.556 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000568762907 448918529 /nfs/dbraw/zinc/91/85/29/448918529.db2.gz CCFDUBYOIGHLDX-OAHLLOKOSA-N 2 2 346.479 1.310 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)n1C1CC1 ZINC000568762907 448918533 /nfs/dbraw/zinc/91/85/33/448918533.db2.gz CCFDUBYOIGHLDX-OAHLLOKOSA-N 2 2 346.479 1.310 20 0 EDADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579979162 448928042 /nfs/dbraw/zinc/92/80/42/448928042.db2.gz SFJACCRMXLJROD-CABCVRRESA-N 2 2 326.400 1.394 20 0 EDADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579979162 448928049 /nfs/dbraw/zinc/92/80/49/448928049.db2.gz SFJACCRMXLJROD-CABCVRRESA-N 2 2 326.400 1.394 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([C@H]4CCC[NH2+]4)CC3)[nH+]cn2)C1 ZINC000574670458 448929379 /nfs/dbraw/zinc/92/93/79/448929379.db2.gz UQTXFBPYZZAUML-USXIJHARSA-N 2 2 345.491 1.652 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([C@H]4CCC[NH2+]4)CC3)nc[nH+]2)C1 ZINC000574670458 448929382 /nfs/dbraw/zinc/92/93/82/448929382.db2.gz UQTXFBPYZZAUML-USXIJHARSA-N 2 2 345.491 1.652 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1)CC2 ZINC000520821024 448934686 /nfs/dbraw/zinc/93/46/86/448934686.db2.gz LQQTVBKVHJNZEK-SJLPKXTDSA-N 2 2 348.491 1.617 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000569238273 448987563 /nfs/dbraw/zinc/98/75/63/448987563.db2.gz JJJSMNDZYVQPCH-GOEBONIOSA-N 2 2 335.452 1.061 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000592760697 448974214 /nfs/dbraw/zinc/97/42/14/448974214.db2.gz GUWZDVJTWFEOMO-SJORKVTESA-N 2 2 347.507 1.635 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529844558 448983533 /nfs/dbraw/zinc/98/35/33/448983533.db2.gz IUOXVFZMFXTHPH-HNNXBMFYSA-N 2 2 333.480 2.311 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529844558 448983535 /nfs/dbraw/zinc/98/35/35/448983535.db2.gz IUOXVFZMFXTHPH-HNNXBMFYSA-N 2 2 333.480 2.311 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000574734441 448942134 /nfs/dbraw/zinc/94/21/34/448942134.db2.gz WOQOSEDXFNJWGM-HNNXBMFYSA-N 2 2 333.480 1.793 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000574734441 448942139 /nfs/dbraw/zinc/94/21/39/448942139.db2.gz WOQOSEDXFNJWGM-HNNXBMFYSA-N 2 2 333.480 1.793 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000521611786 449000671 /nfs/dbraw/zinc/00/06/71/449000671.db2.gz VCFVPWZYHRYNMO-YJLNNSPDSA-N 2 2 331.460 1.946 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000569261601 448990701 /nfs/dbraw/zinc/99/07/01/448990701.db2.gz BSHYHFJTFXRQTQ-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000569261601 448990708 /nfs/dbraw/zinc/99/07/08/448990708.db2.gz BSHYHFJTFXRQTQ-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000548706288 449086088 /nfs/dbraw/zinc/08/60/88/449086088.db2.gz UBUKHORHQZVJLO-QGZVFWFLSA-N 2 2 344.459 1.241 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC[N@H+](C)C3)c2)CC1 ZINC000548706288 449086092 /nfs/dbraw/zinc/08/60/92/449086092.db2.gz UBUKHORHQZVJLO-QGZVFWFLSA-N 2 2 344.459 1.241 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)[C@H](C[NH3+])C1 ZINC000582229428 449041959 /nfs/dbraw/zinc/04/19/59/449041959.db2.gz QZJPJLLQKGWSPO-CQSZACIVSA-N 2 2 343.435 1.103 20 0 EDADLP O=C(C[C@H]1COCC[NH2+]1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000582240050 449045285 /nfs/dbraw/zinc/04/52/85/449045285.db2.gz NYMOINJJXLTXNN-ZDUSSCGKSA-N 2 2 338.477 1.836 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(CC(N)=O)cc2)CC1 ZINC000589736961 449057217 /nfs/dbraw/zinc/05/72/17/449057217.db2.gz RIGLCKVOBUQIPR-UHFFFAOYSA-N 2 2 347.459 1.222 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1([NH+]2CCOCC2)CCCC1 ZINC000548748412 449094307 /nfs/dbraw/zinc/09/43/07/449094307.db2.gz ZCBIGEOYIQNRMK-LSDHHAIUSA-N 2 2 346.475 1.979 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CCOC1 ZINC000604054202 449175013 /nfs/dbraw/zinc/17/50/13/449175013.db2.gz YXQQXTWJIQHERX-INIZCTEOSA-N 2 2 335.448 1.282 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CCOC1 ZINC000604054202 449175020 /nfs/dbraw/zinc/17/50/20/449175020.db2.gz YXQQXTWJIQHERX-INIZCTEOSA-N 2 2 335.448 1.282 20 0 EDADLP CC[S@@](=O)c1ccccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989725 449175398 /nfs/dbraw/zinc/17/53/98/449175398.db2.gz IOMPXLMBUHZZHS-HSZRJFAPSA-N 2 2 339.505 1.427 20 0 EDADLP CC[S@@](=O)c1ccccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989725 449175402 /nfs/dbraw/zinc/17/54/02/449175402.db2.gz IOMPXLMBUHZZHS-HSZRJFAPSA-N 2 2 339.505 1.427 20 0 EDADLP CCOC(=O)c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000600130358 449206424 /nfs/dbraw/zinc/20/64/24/449206424.db2.gz PLGKMJRZTHBCEB-OAHLLOKOSA-N 2 2 347.459 1.849 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(Cl)o3)C2)CC1 ZINC000604158287 449184376 /nfs/dbraw/zinc/18/43/76/449184376.db2.gz GJXJUGHUEQXTHH-LBPRGKRZSA-N 2 2 340.855 1.901 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(Cl)o3)C2)CC1 ZINC000604158287 449184378 /nfs/dbraw/zinc/18/43/78/449184378.db2.gz GJXJUGHUEQXTHH-LBPRGKRZSA-N 2 2 340.855 1.901 20 0 EDADLP C[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602197717 449426306 /nfs/dbraw/zinc/42/63/06/449426306.db2.gz WPOUCEZOIYXMAP-GJZGRUSLSA-N 2 2 349.450 1.878 20 0 EDADLP C[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602197717 449426313 /nfs/dbraw/zinc/42/63/13/449426313.db2.gz WPOUCEZOIYXMAP-GJZGRUSLSA-N 2 2 349.450 1.878 20 0 EDADLP COc1ccc(C)cc1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602198219 449428139 /nfs/dbraw/zinc/42/81/39/449428139.db2.gz XVNOOIYQRPRDFO-QGZVFWFLSA-N 2 2 345.487 1.831 20 0 EDADLP COc1ccc(C)cc1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602198219 449428141 /nfs/dbraw/zinc/42/81/41/449428141.db2.gz XVNOOIYQRPRDFO-QGZVFWFLSA-N 2 2 345.487 1.831 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc4c[nH]nc43)C2)CC1 ZINC000602201877 449429737 /nfs/dbraw/zinc/42/97/37/449429737.db2.gz OKPBDMYCAZQODK-CQSZACIVSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc4c[nH]nc43)C2)CC1 ZINC000602201877 449429742 /nfs/dbraw/zinc/42/97/42/449429742.db2.gz OKPBDMYCAZQODK-CQSZACIVSA-N 2 2 327.432 1.461 20 0 EDADLP CC(=O)Nc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602206182 449433111 /nfs/dbraw/zinc/43/31/11/449433111.db2.gz VKIJVGQZJBJTOC-KRWDZBQOSA-N 2 2 344.459 1.543 20 0 EDADLP CC(=O)Nc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000602206182 449433117 /nfs/dbraw/zinc/43/31/17/449433117.db2.gz VKIJVGQZJBJTOC-KRWDZBQOSA-N 2 2 344.459 1.543 20 0 EDADLP COC(=O)Cc1cc[nH+]c(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000596156693 449388538 /nfs/dbraw/zinc/38/85/38/449388538.db2.gz RGVHOQRXPHASOU-GJZGRUSLSA-N 2 2 335.448 2.098 20 0 EDADLP Cc1cc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)n(C2CC[NH+](C)CC2)n1 ZINC000612049840 449539404 /nfs/dbraw/zinc/53/94/04/449539404.db2.gz MHMUSDJZXQLHOV-CQSZACIVSA-N 2 2 342.447 1.856 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607347030 449600639 /nfs/dbraw/zinc/60/06/39/449600639.db2.gz ZAYHKBGLOSFDQX-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000607347030 449600646 /nfs/dbraw/zinc/60/06/46/449600646.db2.gz ZAYHKBGLOSFDQX-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607347030 449600651 /nfs/dbraw/zinc/60/06/51/449600651.db2.gz ZAYHKBGLOSFDQX-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607347030 449600657 /nfs/dbraw/zinc/60/06/57/449600657.db2.gz ZAYHKBGLOSFDQX-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP CCc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000607379209 449606736 /nfs/dbraw/zinc/60/67/36/449606736.db2.gz QYCBEKHOXUBXCM-AWEZNQCLSA-N 2 2 335.452 1.205 20 0 EDADLP CCc1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000607379209 449606743 /nfs/dbraw/zinc/60/67/43/449606743.db2.gz QYCBEKHOXUBXCM-AWEZNQCLSA-N 2 2 335.452 1.205 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccccc2c1NCC1([NH3+])CCOCC1 ZINC000600951588 449612514 /nfs/dbraw/zinc/61/25/14/449612514.db2.gz FRWFYJGEEHXNRQ-UHFFFAOYSA-N 2 2 329.400 1.753 20 0 EDADLP CC[C@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000612403577 449681385 /nfs/dbraw/zinc/68/13/85/449681385.db2.gz OVQOQMQZQGXQON-ROUUACIJSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000612403577 449681389 /nfs/dbraw/zinc/68/13/89/449681389.db2.gz OVQOQMQZQGXQON-ROUUACIJSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000601116108 449698642 /nfs/dbraw/zinc/69/86/42/449698642.db2.gz OJZQUBWEHGZDAL-IQMFZBJNSA-N 2 2 340.489 1.254 20 0 EDADLP COC(=O)[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@H+](C)C1 ZINC000599086190 449723791 /nfs/dbraw/zinc/72/37/91/449723791.db2.gz KGQHQCNZRNCTHL-ZDUSSCGKSA-N 2 2 339.399 1.424 20 0 EDADLP COC(=O)[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@@H+](C)C1 ZINC000599086190 449723796 /nfs/dbraw/zinc/72/37/96/449723796.db2.gz KGQHQCNZRNCTHL-ZDUSSCGKSA-N 2 2 339.399 1.424 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000601108663 449694190 /nfs/dbraw/zinc/69/41/90/449694190.db2.gz MDNKRPFZFJTIBH-OAHLLOKOSA-N 2 2 334.464 2.423 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000601108663 449694194 /nfs/dbraw/zinc/69/41/94/449694194.db2.gz MDNKRPFZFJTIBH-OAHLLOKOSA-N 2 2 334.464 2.423 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000608094508 449748443 /nfs/dbraw/zinc/74/84/43/449748443.db2.gz UNPSNXSHGUICDX-HNNXBMFYSA-N 2 2 343.475 2.202 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000608094508 449748449 /nfs/dbraw/zinc/74/84/49/449748449.db2.gz UNPSNXSHGUICDX-HNNXBMFYSA-N 2 2 343.475 2.202 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000614669638 449752980 /nfs/dbraw/zinc/75/29/80/449752980.db2.gz QBTOBMQDOJIMKO-UHFFFAOYSA-N 2 2 333.461 1.812 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000594914772 449806305 /nfs/dbraw/zinc/80/63/05/449806305.db2.gz LAAJITGUFUZLMR-BNEJOLLZSA-N 2 2 332.444 1.193 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000594914772 449806312 /nfs/dbraw/zinc/80/63/12/449806312.db2.gz LAAJITGUFUZLMR-BNEJOLLZSA-N 2 2 332.444 1.193 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000617761844 449820800 /nfs/dbraw/zinc/82/08/00/449820800.db2.gz ADCKWCDVPHCFMK-UHFFFAOYSA-N 2 2 344.459 1.483 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000617761844 449820808 /nfs/dbraw/zinc/82/08/08/449820808.db2.gz ADCKWCDVPHCFMK-UHFFFAOYSA-N 2 2 344.459 1.483 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000617764422 449823591 /nfs/dbraw/zinc/82/35/91/449823591.db2.gz WSWDEKMFFUPXCP-UHFFFAOYSA-N 2 2 329.448 1.690 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000617764422 449823598 /nfs/dbraw/zinc/82/35/98/449823598.db2.gz WSWDEKMFFUPXCP-UHFFFAOYSA-N 2 2 329.448 1.690 20 0 EDADLP COc1cc2c(cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C)OCO2 ZINC000617765042 449826270 /nfs/dbraw/zinc/82/62/70/449826270.db2.gz RETNORHFLWSENP-UHFFFAOYSA-N 2 2 337.420 1.037 20 0 EDADLP COc1cc2c(cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C)OCO2 ZINC000617765042 449826277 /nfs/dbraw/zinc/82/62/77/449826277.db2.gz RETNORHFLWSENP-UHFFFAOYSA-N 2 2 337.420 1.037 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(N2CCCCC2)n1 ZINC000617766517 449828552 /nfs/dbraw/zinc/82/85/52/449828552.db2.gz NOFBXUQJHLPCBR-UHFFFAOYSA-N 2 2 348.495 1.080 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(N2CCCCC2)n1 ZINC000617766517 449828557 /nfs/dbraw/zinc/82/85/57/449828557.db2.gz NOFBXUQJHLPCBR-UHFFFAOYSA-N 2 2 348.495 1.080 20 0 EDADLP Cc1nnc(-c2cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2)o1 ZINC000617766534 449828835 /nfs/dbraw/zinc/82/88/35/449828835.db2.gz OEIOIVCEKWJVRC-UHFFFAOYSA-N 2 2 345.447 1.658 20 0 EDADLP Cc1nnc(-c2cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2)o1 ZINC000617766534 449828840 /nfs/dbraw/zinc/82/88/40/449828840.db2.gz OEIOIVCEKWJVRC-UHFFFAOYSA-N 2 2 345.447 1.658 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cnc2ccccc2c1 ZINC000617766791 449829649 /nfs/dbraw/zinc/82/96/49/449829649.db2.gz VKWBSTKJIAQCLN-UHFFFAOYSA-N 2 2 328.460 1.777 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cnc2ccccc2c1 ZINC000617766791 449829654 /nfs/dbraw/zinc/82/96/54/449829654.db2.gz VKWBSTKJIAQCLN-UHFFFAOYSA-N 2 2 328.460 1.777 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](c1ccccc1)n1cccn1 ZINC000617767161 449831767 /nfs/dbraw/zinc/83/17/67/449831767.db2.gz JCVJVRDLXZPCEI-SFHVURJKSA-N 2 2 343.475 1.472 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)n1cccn1 ZINC000617767161 449831769 /nfs/dbraw/zinc/83/17/69/449831769.db2.gz JCVJVRDLXZPCEI-SFHVURJKSA-N 2 2 343.475 1.472 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC[N@@H+]1C ZINC000608488909 449856257 /nfs/dbraw/zinc/85/62/57/449856257.db2.gz DLRKUBNTCBXUHP-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC[N@H+]1C ZINC000608488909 449856264 /nfs/dbraw/zinc/85/62/64/449856264.db2.gz DLRKUBNTCBXUHP-HOCLYGCPSA-N 2 2 347.463 1.200 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000612752421 449868099 /nfs/dbraw/zinc/86/80/99/449868099.db2.gz LIOQGSWUMBZCEZ-IETPZCKNSA-N 2 2 332.448 1.234 20 0 EDADLP COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000597220781 449880609 /nfs/dbraw/zinc/88/06/09/449880609.db2.gz MRJWTUWFUQCZIH-GOSISDBHSA-N 2 2 344.415 1.730 20 0 EDADLP COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000597220781 449880614 /nfs/dbraw/zinc/88/06/14/449880614.db2.gz MRJWTUWFUQCZIH-GOSISDBHSA-N 2 2 344.415 1.730 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000597224237 449881916 /nfs/dbraw/zinc/88/19/16/449881916.db2.gz BDYBEFZJCBIYKG-HNNXBMFYSA-N 2 2 336.407 1.955 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2cocn2)([NH+]2CCCCC2)CC1 ZINC000608674592 449904868 /nfs/dbraw/zinc/90/48/68/449904868.db2.gz KVEQZYCGVWEUEG-UHFFFAOYSA-N 2 2 335.452 1.424 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)c[nH+]1 ZINC000612963020 449958318 /nfs/dbraw/zinc/95/83/18/449958318.db2.gz LJYHMEVUESZRDD-HNNXBMFYSA-N 2 2 331.464 1.869 20 0 EDADLP CN(C(=O)c1cccc2cn[nH]c21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477247 450000049 /nfs/dbraw/zinc/00/00/49/450000049.db2.gz HQHICUDIJGCVSM-MRXNPFEDSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1cccc2cn[nH]c21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477247 450000056 /nfs/dbraw/zinc/00/00/56/450000056.db2.gz HQHICUDIJGCVSM-MRXNPFEDSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1cccc2c[nH]nc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477247 450000060 /nfs/dbraw/zinc/00/00/60/450000060.db2.gz HQHICUDIJGCVSM-MRXNPFEDSA-N 2 2 341.459 1.803 20 0 EDADLP CN(C(=O)c1cccc2c[nH]nc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477247 450000067 /nfs/dbraw/zinc/00/00/67/450000067.db2.gz HQHICUDIJGCVSM-MRXNPFEDSA-N 2 2 341.459 1.803 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000609385658 450022941 /nfs/dbraw/zinc/02/29/41/450022941.db2.gz DAUJUJDJSABJNF-QGZVFWFLSA-N 2 2 346.475 1.865 20 0 EDADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000609385658 450022943 /nfs/dbraw/zinc/02/29/43/450022943.db2.gz DAUJUJDJSABJNF-QGZVFWFLSA-N 2 2 346.475 1.865 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000615281573 450044775 /nfs/dbraw/zinc/04/47/75/450044775.db2.gz ROYHBCSFLAVHJF-OAHLLOKOSA-N 2 2 333.480 1.102 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000615281573 450044782 /nfs/dbraw/zinc/04/47/82/450044782.db2.gz ROYHBCSFLAVHJF-OAHLLOKOSA-N 2 2 333.480 1.102 20 0 EDADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)C2 ZINC000615601380 450158853 /nfs/dbraw/zinc/15/88/53/450158853.db2.gz IHWOJCAVFMIQNZ-MJGOQNOKSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)C2 ZINC000615601380 450158858 /nfs/dbraw/zinc/15/88/58/450158858.db2.gz IHWOJCAVFMIQNZ-MJGOQNOKSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C2 ZINC000615601380 450158860 /nfs/dbraw/zinc/15/88/60/450158860.db2.gz IHWOJCAVFMIQNZ-MJGOQNOKSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)C2 ZINC000615601380 450158864 /nfs/dbraw/zinc/15/88/64/450158864.db2.gz IHWOJCAVFMIQNZ-MJGOQNOKSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615548626 450138766 /nfs/dbraw/zinc/13/87/66/450138766.db2.gz UHZDHSRSDOFSAH-MSOLQXFVSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615548626 450138770 /nfs/dbraw/zinc/13/87/70/450138770.db2.gz UHZDHSRSDOFSAH-MSOLQXFVSA-N 2 2 335.492 1.717 20 0 EDADLP C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000625344641 450305993 /nfs/dbraw/zinc/30/59/93/450305993.db2.gz SRPHCNJYAWCCPY-UYAOXDASSA-N 2 2 348.487 1.221 20 0 EDADLP C[N@@H+](C[C@H](O)CC1(O)CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000625344641 450306000 /nfs/dbraw/zinc/30/60/00/450306000.db2.gz SRPHCNJYAWCCPY-UYAOXDASSA-N 2 2 348.487 1.221 20 0 EDADLP C[NH+](C[C@H](O)CC1(O)CCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000625344641 450306006 /nfs/dbraw/zinc/30/60/06/450306006.db2.gz SRPHCNJYAWCCPY-UYAOXDASSA-N 2 2 348.487 1.221 20 0 EDADLP C[NH+](C[C@H](O)CC1(O)CCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000625344641 450306010 /nfs/dbraw/zinc/30/60/10/450306010.db2.gz SRPHCNJYAWCCPY-UYAOXDASSA-N 2 2 348.487 1.221 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000603493965 450313423 /nfs/dbraw/zinc/31/34/23/450313423.db2.gz NBKJFCMSJDOVPN-HZPDHXFCSA-N 2 2 333.480 1.652 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000618985117 450363215 /nfs/dbraw/zinc/36/32/15/450363215.db2.gz DNKIZKGFRIRRFT-FUHWJXTLSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000618985117 450363220 /nfs/dbraw/zinc/36/32/20/450363220.db2.gz DNKIZKGFRIRRFT-FUHWJXTLSA-N 2 2 337.508 1.866 20 0 EDADLP CN(C(=O)C1([NH+](C)C)CC1)c1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC000619324138 450459534 /nfs/dbraw/zinc/45/95/34/450459534.db2.gz HFUFRKLGGWAPFJ-UHFFFAOYSA-N 2 2 344.459 1.776 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CCC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000623716992 450571069 /nfs/dbraw/zinc/57/10/69/450571069.db2.gz FVQSVRXRVINYFM-AWEZNQCLSA-N 2 2 334.468 1.714 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000620722169 450531839 /nfs/dbraw/zinc/53/18/39/450531839.db2.gz BQGRBHGLRLMDSF-MOPGFXCFSA-N 2 2 344.503 1.403 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000620722169 450531842 /nfs/dbraw/zinc/53/18/42/450531842.db2.gz BQGRBHGLRLMDSF-MOPGFXCFSA-N 2 2 344.503 1.403 20 0 EDADLP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000620722169 450531844 /nfs/dbraw/zinc/53/18/44/450531844.db2.gz BQGRBHGLRLMDSF-MOPGFXCFSA-N 2 2 344.503 1.403 20 0 EDADLP C[NH+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000620722169 450531847 /nfs/dbraw/zinc/53/18/47/450531847.db2.gz BQGRBHGLRLMDSF-MOPGFXCFSA-N 2 2 344.503 1.403 20 0 EDADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CCCO1 ZINC000623507589 450534251 /nfs/dbraw/zinc/53/42/51/450534251.db2.gz RHUGVIKGQZDBKD-HNNXBMFYSA-N 2 2 347.438 1.997 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CCCO1 ZINC000623507589 450534253 /nfs/dbraw/zinc/53/42/53/450534253.db2.gz RHUGVIKGQZDBKD-HNNXBMFYSA-N 2 2 347.438 1.997 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000623617771 450552148 /nfs/dbraw/zinc/55/21/48/450552148.db2.gz NPSOERFWZVDOCF-INIZCTEOSA-N 2 2 345.422 1.645 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000623617771 450552151 /nfs/dbraw/zinc/55/21/51/450552151.db2.gz NPSOERFWZVDOCF-INIZCTEOSA-N 2 2 345.422 1.645 20 0 EDADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623617966 450552247 /nfs/dbraw/zinc/55/22/47/450552247.db2.gz YCGCOZGVASSYFR-ZBFHGGJFSA-N 2 2 332.448 1.333 20 0 EDADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623617966 450552249 /nfs/dbraw/zinc/55/22/49/450552249.db2.gz YCGCOZGVASSYFR-ZBFHGGJFSA-N 2 2 332.448 1.333 20 0 EDADLP COc1cc2c(c(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)c1)O[C@@H](C)C2 ZINC000623618201 450552324 /nfs/dbraw/zinc/55/23/24/450552324.db2.gz HMNGBIJCFPJLPD-GUYCJALGSA-N 2 2 347.459 1.448 20 0 EDADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000623618478 450553158 /nfs/dbraw/zinc/55/31/58/450553158.db2.gz SWMPLOHCFXSTAR-AWEZNQCLSA-N 2 2 325.840 1.778 20 0 EDADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000623618478 450553160 /nfs/dbraw/zinc/55/31/60/450553160.db2.gz SWMPLOHCFXSTAR-AWEZNQCLSA-N 2 2 325.840 1.778 20 0 EDADLP Cn1c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)nc2cc(Cl)ccc21 ZINC000623618903 450553224 /nfs/dbraw/zinc/55/32/24/450553224.db2.gz JNNLZBRVUWODHG-HNNXBMFYSA-N 2 2 349.866 1.656 20 0 EDADLP Cn1c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)nc2cc(Cl)ccc21 ZINC000623618903 450553227 /nfs/dbraw/zinc/55/32/27/450553227.db2.gz JNNLZBRVUWODHG-HNNXBMFYSA-N 2 2 349.866 1.656 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000626088450 450573268 /nfs/dbraw/zinc/57/32/68/450573268.db2.gz YKQBSRKEEZPLGO-QGZVFWFLSA-N 2 2 326.481 1.759 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000629415535 450661760 /nfs/dbraw/zinc/66/17/60/450661760.db2.gz WDDBIUUNTBQOPJ-MRXNPFEDSA-N 2 2 346.475 1.549 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC[N@@H+]1C ZINC000631580078 450664402 /nfs/dbraw/zinc/66/44/02/450664402.db2.gz GASWCNDNMUANES-ARFHVFGLSA-N 2 2 333.480 1.460 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC[N@H+]1C ZINC000631580078 450664405 /nfs/dbraw/zinc/66/44/05/450664405.db2.gz GASWCNDNMUANES-ARFHVFGLSA-N 2 2 333.480 1.460 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000635124662 450669465 /nfs/dbraw/zinc/66/94/65/450669465.db2.gz AQKPRXFUHHUOID-INIZCTEOSA-N 2 2 331.460 1.477 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000635124662 450669470 /nfs/dbraw/zinc/66/94/70/450669470.db2.gz AQKPRXFUHHUOID-INIZCTEOSA-N 2 2 331.460 1.477 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000633035491 450631115 /nfs/dbraw/zinc/63/11/15/450631115.db2.gz HTXAJMLYOAZWPW-HZPDHXFCSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629438267 450685405 /nfs/dbraw/zinc/68/54/05/450685405.db2.gz KLNXUFOUZGOSKM-JFIYKMOQSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629438267 450685411 /nfs/dbraw/zinc/68/54/11/450685411.db2.gz KLNXUFOUZGOSKM-JFIYKMOQSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000629438269 450685493 /nfs/dbraw/zinc/68/54/93/450685493.db2.gz KLNXUFOUZGOSKM-NUJGCVRESA-N 2 2 346.475 1.271 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000629438269 450685497 /nfs/dbraw/zinc/68/54/97/450685497.db2.gz KLNXUFOUZGOSKM-NUJGCVRESA-N 2 2 346.475 1.271 20 0 EDADLP CSc1ccccc1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629546470 450728578 /nfs/dbraw/zinc/72/85/78/450728578.db2.gz PYMBLKPRMMQVDF-UHFFFAOYSA-N 2 2 334.489 1.551 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cccc(OC(F)(F)F)c2)n1 ZINC000629654110 450771861 /nfs/dbraw/zinc/77/18/61/450771861.db2.gz VDVDCLUYQRXWLD-UHFFFAOYSA-N 2 2 328.294 1.829 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cn2)n1 ZINC000629557069 450734346 /nfs/dbraw/zinc/73/43/46/450734346.db2.gz BBKWFTHNPNRNEI-QGZVFWFLSA-N 2 2 329.448 1.430 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CC1(F)F ZINC000621551617 450768858 /nfs/dbraw/zinc/76/88/58/450768858.db2.gz DNMZAZXDLCLELL-ZDUSSCGKSA-N 2 2 332.439 1.699 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@H]1CC1(F)F ZINC000621551617 450768860 /nfs/dbraw/zinc/76/88/60/450768860.db2.gz DNMZAZXDLCLELL-ZDUSSCGKSA-N 2 2 332.439 1.699 20 0 EDADLP CC[N@H+](CCCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CCCCC1 ZINC000624295023 450784786 /nfs/dbraw/zinc/78/47/86/450784786.db2.gz PUMRSFNKTFJFAH-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP CC[N@@H+](CCCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CCCCC1 ZINC000624295023 450784793 /nfs/dbraw/zinc/78/47/93/450784793.db2.gz PUMRSFNKTFJFAH-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP CC[NH+](CCCNC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CCCCC1 ZINC000624295023 450784799 /nfs/dbraw/zinc/78/47/99/450784799.db2.gz PUMRSFNKTFJFAH-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP CC[NH+](CCCNC(=O)NC[C@@H]1COCC[N@H+]1C)C1CCCCC1 ZINC000624295023 450784804 /nfs/dbraw/zinc/78/48/04/450784804.db2.gz PUMRSFNKTFJFAH-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000621641754 450807315 /nfs/dbraw/zinc/80/73/15/450807315.db2.gz VLBSTRWJQWVNMB-PKOBYXMFSA-N 2 2 345.487 1.956 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3COCC[N@@H+]3C)ccc21 ZINC000626579669 450809100 /nfs/dbraw/zinc/80/91/00/450809100.db2.gz GCDIDJHOFSHQSN-NVXWUHKLSA-N 2 2 332.448 1.688 20 0 EDADLP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3COCC[N@H+]3C)ccc21 ZINC000626579669 450809104 /nfs/dbraw/zinc/80/91/04/450809104.db2.gz GCDIDJHOFSHQSN-NVXWUHKLSA-N 2 2 332.448 1.688 20 0 EDADLP CCOc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OCC ZINC000631842988 450813132 /nfs/dbraw/zinc/81/31/32/450813132.db2.gz IEXGZZSQNWJZJI-ZIAGYGMSSA-N 2 2 335.448 1.949 20 0 EDADLP CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OCC ZINC000631842988 450813138 /nfs/dbraw/zinc/81/31/38/450813138.db2.gz IEXGZZSQNWJZJI-ZIAGYGMSSA-N 2 2 335.448 1.949 20 0 EDADLP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000633377698 450825848 /nfs/dbraw/zinc/82/58/48/450825848.db2.gz SIUJKOZIZWRNJY-KRWDZBQOSA-N 2 2 345.447 1.732 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCC[C@H]1CC1(F)F ZINC000621670888 450826185 /nfs/dbraw/zinc/82/61/85/450826185.db2.gz BRVSQHVBEDOCOT-HOCLYGCPSA-N 2 2 348.397 1.963 20 0 EDADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000631863616 450832614 /nfs/dbraw/zinc/83/26/14/450832614.db2.gz BSIODLJNXILSSU-HZPDHXFCSA-N 2 2 347.503 1.861 20 0 EDADLP O=C(c1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1)N1CCCCC1 ZINC000631864218 450833312 /nfs/dbraw/zinc/83/33/12/450833312.db2.gz KCBLZKVFECXOSG-UHFFFAOYSA-N 2 2 345.487 1.859 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868217 450836984 /nfs/dbraw/zinc/83/69/84/450836984.db2.gz ALNMSJOLFWGYKS-VFVRVIDISA-N 2 2 337.414 1.744 20 0 EDADLP CC[C@H](C(=O)N(CC)C1CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000627616456 450847973 /nfs/dbraw/zinc/84/79/73/450847973.db2.gz QBCVBOPRRWDTKE-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N(CC)C1CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000627616456 450847976 /nfs/dbraw/zinc/84/79/76/450847976.db2.gz QBCVBOPRRWDTKE-IAGOWNOFSA-N 2 2 325.497 1.819 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886934 450848981 /nfs/dbraw/zinc/84/89/81/450848981.db2.gz LABANAIUBFLHLZ-MJGOQNOKSA-N 2 2 345.487 1.988 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886934 450848987 /nfs/dbraw/zinc/84/89/87/450848987.db2.gz LABANAIUBFLHLZ-MJGOQNOKSA-N 2 2 345.487 1.988 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)c[nH+]2)CCO1 ZINC000635325246 450850462 /nfs/dbraw/zinc/85/04/62/450850462.db2.gz NCBHVIRDNMMGLM-CABCVRRESA-N 2 2 332.448 1.265 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)c[nH+]2)CCO1 ZINC000635325246 450850467 /nfs/dbraw/zinc/85/04/67/450850467.db2.gz NCBHVIRDNMMGLM-CABCVRRESA-N 2 2 332.448 1.265 20 0 EDADLP C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000631978710 450936630 /nfs/dbraw/zinc/93/66/30/450936630.db2.gz HFUDIXKFZRDYBH-RHSMWYFYSA-N 2 2 328.416 1.250 20 0 EDADLP C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000631978710 450936633 /nfs/dbraw/zinc/93/66/33/450936633.db2.gz HFUDIXKFZRDYBH-RHSMWYFYSA-N 2 2 328.416 1.250 20 0 EDADLP C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CCC1 ZINC000630000203 450944045 /nfs/dbraw/zinc/94/40/45/450944045.db2.gz HFIKRBYZCARGMZ-HNNXBMFYSA-N 2 2 348.466 1.595 20 0 EDADLP C[C@](O)(C[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000630043779 450977555 /nfs/dbraw/zinc/97/75/55/450977555.db2.gz UTUAKUZCQYBTCR-SQNIBIBYSA-N 2 2 326.481 1.085 20 0 EDADLP C[C@](O)(C[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000630043779 450977562 /nfs/dbraw/zinc/97/75/62/450977562.db2.gz UTUAKUZCQYBTCR-SQNIBIBYSA-N 2 2 326.481 1.085 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCCF)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627957402 451051162 /nfs/dbraw/zinc/05/11/62/451051162.db2.gz ZMBSMHSILZKTAW-ZACQAIPSSA-N 2 2 343.487 1.624 20 0 EDADLP Cc1cn2ccc(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc2[nH+]1 ZINC000635610570 451103391 /nfs/dbraw/zinc/10/33/91/451103391.db2.gz FIRZDLCKNXYXHU-HNNXBMFYSA-N 2 2 328.416 1.437 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C2)cc(OC)c1 ZINC000635669872 451155425 /nfs/dbraw/zinc/15/54/25/451155425.db2.gz IHDYDUAAVZWOKO-UKRRQHHQSA-N 2 2 335.448 1.344 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C2)cc(OC)c1 ZINC000635669872 451155430 /nfs/dbraw/zinc/15/54/30/451155430.db2.gz IHDYDUAAVZWOKO-UKRRQHHQSA-N 2 2 335.448 1.344 20 0 EDADLP Cc1cn2ccc(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)cc2[nH+]1 ZINC000635685419 451167169 /nfs/dbraw/zinc/16/71/69/451167169.db2.gz JGSIRXLVUAFNMT-INIZCTEOSA-N 2 2 328.416 1.626 20 0 EDADLP CC(C)C[C@@H](C(=O)NCC1(O)CC[NH+](C(C)C)CC1)n1cc[nH+]c1 ZINC000635687133 451169188 /nfs/dbraw/zinc/16/91/88/451169188.db2.gz OWBJJMBOYPOFPH-INIZCTEOSA-N 2 2 336.480 1.822 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C[NH2+]1 ZINC000627198130 451181585 /nfs/dbraw/zinc/18/15/85/451181585.db2.gz RJAAFDLKGQCXIA-ZIAGYGMSSA-N 2 2 337.493 1.501 20 0 EDADLP C[C@@H]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C[NH2+]1 ZINC000627198130 451181590 /nfs/dbraw/zinc/18/15/90/451181590.db2.gz RJAAFDLKGQCXIA-ZIAGYGMSSA-N 2 2 337.493 1.501 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000625134837 451182056 /nfs/dbraw/zinc/18/20/56/451182056.db2.gz ZXCVLNGARWWFQP-ZWKOTPCHSA-N 2 2 331.460 1.122 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000625134837 451182062 /nfs/dbraw/zinc/18/20/62/451182062.db2.gz ZXCVLNGARWWFQP-ZWKOTPCHSA-N 2 2 331.460 1.122 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)nc2)C1 ZINC000635720248 451197460 /nfs/dbraw/zinc/19/74/60/451197460.db2.gz RNECAKQXKUAPAZ-RBSFLKMASA-N 2 2 340.431 1.687 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)nc2)C1 ZINC000635720248 451197462 /nfs/dbraw/zinc/19/74/62/451197462.db2.gz RNECAKQXKUAPAZ-RBSFLKMASA-N 2 2 340.431 1.687 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2[nH+]1 ZINC000635722224 451198392 /nfs/dbraw/zinc/19/83/92/451198392.db2.gz ULTNRKTTXYEAND-BRWVUGGUSA-N 2 2 342.443 1.966 20 0 EDADLP CC(C)C[C@@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)n1cc[nH+]c1 ZINC000635737682 451207761 /nfs/dbraw/zinc/20/77/61/451207761.db2.gz ZZQALWTXFLGSFM-INIZCTEOSA-N 2 2 345.447 1.832 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194200 451230737 /nfs/dbraw/zinc/23/07/37/451230737.db2.gz GTXJCZSOORLZRB-MRXNPFEDSA-N 3 2 331.464 1.646 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194200 451230742 /nfs/dbraw/zinc/23/07/42/451230742.db2.gz GTXJCZSOORLZRB-MRXNPFEDSA-N 3 2 331.464 1.646 20 0 EDADLP Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC000634193004 451227725 /nfs/dbraw/zinc/22/77/25/451227725.db2.gz BSYGMIIGNHJFCI-JKSUJKDBSA-N 2 2 340.431 1.309 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000638089042 451253529 /nfs/dbraw/zinc/25/35/29/451253529.db2.gz LCIVMROBZUZNQS-AZUAARDMSA-N 2 2 345.487 1.581 20 0 EDADLP C[C@@H](C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000640349294 451277186 /nfs/dbraw/zinc/27/71/86/451277186.db2.gz APLCBWXPEHCOSJ-HNNXBMFYSA-N 2 2 327.513 1.827 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000638127680 451297965 /nfs/dbraw/zinc/29/79/65/451297965.db2.gz XNZNBWVLRKLRNI-AWEZNQCLSA-N 2 2 335.448 1.810 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)[NH+](C)C)cc1 ZINC000636593223 451333235 /nfs/dbraw/zinc/33/32/35/451333235.db2.gz FQPIEMWTNPECRB-OAHLLOKOSA-N 2 2 343.431 1.096 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H]([NH+]4CCOCC4)C3(C)C)ccn12 ZINC000640510033 451360253 /nfs/dbraw/zinc/36/02/53/451360253.db2.gz DZKNEGJFOSYLEH-JKSUJKDBSA-N 2 2 342.443 1.872 20 0 EDADLP CC[NH2+][C@@H](C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000638274330 451393365 /nfs/dbraw/zinc/39/33/65/451393365.db2.gz HJCRISVNPOCDHM-ZDUSSCGKSA-N 2 2 349.866 1.630 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCOC[C@H]3[C@@H]3CCC[N@H+]3C)cc2[nH+]1 ZINC000635959103 451396917 /nfs/dbraw/zinc/39/69/17/451396917.db2.gz CJQQXMHZHIIDRZ-HOTGVXAUSA-N 2 2 328.416 1.578 20 0 EDADLP Cc1cn2ccc(C(=O)N3CCOC[C@H]3[C@@H]3CCC[N@@H+]3C)cc2[nH+]1 ZINC000635959103 451396922 /nfs/dbraw/zinc/39/69/22/451396922.db2.gz CJQQXMHZHIIDRZ-HOTGVXAUSA-N 2 2 328.416 1.578 20 0 EDADLP O=C(N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000628773690 451409340 /nfs/dbraw/zinc/40/93/40/451409340.db2.gz MOZIEOJNTTWBKE-CVEARBPZSA-N 2 2 343.406 1.144 20 0 EDADLP O=C(N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000628773690 451409346 /nfs/dbraw/zinc/40/93/46/451409346.db2.gz MOZIEOJNTTWBKE-CVEARBPZSA-N 2 2 343.406 1.144 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000638296748 451412104 /nfs/dbraw/zinc/41/21/04/451412104.db2.gz BTSFDDKGMGKZNG-BYNSBNAKSA-N 2 2 341.814 1.457 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000638296748 451412109 /nfs/dbraw/zinc/41/21/09/451412109.db2.gz BTSFDDKGMGKZNG-BYNSBNAKSA-N 2 2 341.814 1.457 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000636729172 451451256 /nfs/dbraw/zinc/45/12/56/451451256.db2.gz MTTSKWVPTJRMSP-OAHLLOKOSA-N 2 2 347.463 1.281 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000636729172 451451260 /nfs/dbraw/zinc/45/12/60/451451260.db2.gz MTTSKWVPTJRMSP-OAHLLOKOSA-N 2 2 347.463 1.281 20 0 EDADLP CC[NH+](CC)[C@@H](CNCc1c[nH+]c(N)nc1N)Cc1ccccc1 ZINC000638353514 451454399 /nfs/dbraw/zinc/45/43/99/451454399.db2.gz AGFKXGQOCYWABN-MRXNPFEDSA-N 2 2 328.464 1.344 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000638354346 451456251 /nfs/dbraw/zinc/45/62/51/451456251.db2.gz KGLCRAGALKRGIG-WOJBJXKFSA-N 2 2 348.487 1.437 20 0 EDADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000638354346 451456254 /nfs/dbraw/zinc/45/62/54/451456254.db2.gz KGLCRAGALKRGIG-WOJBJXKFSA-N 2 2 348.487 1.437 20 0 EDADLP CN(C)c1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc[nH+]1 ZINC000640610910 451458869 /nfs/dbraw/zinc/45/88/69/451458869.db2.gz PCRUKXVYSOBSFD-CQSZACIVSA-N 2 2 326.404 1.943 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N@H+](C)Cc1ccccc1 ZINC000636767787 451491995 /nfs/dbraw/zinc/49/19/95/451491995.db2.gz RYQMECFQLISNAZ-GDBMZVCRSA-N 2 2 327.432 1.628 20 0 EDADLP C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N@@H+](C)Cc1ccccc1 ZINC000636767787 451492000 /nfs/dbraw/zinc/49/20/00/451492000.db2.gz RYQMECFQLISNAZ-GDBMZVCRSA-N 2 2 327.432 1.628 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)n1cc[nH+]c1 ZINC000638342312 451446047 /nfs/dbraw/zinc/44/60/47/451446047.db2.gz PSWHEHZKGGETHI-HOTGVXAUSA-N 2 2 345.451 1.384 20 0 EDADLP OCc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000634722341 451503415 /nfs/dbraw/zinc/50/34/15/451503415.db2.gz NPQMUGJEGKOXFV-IBGZPJMESA-N 2 2 327.428 1.301 20 0 EDADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000638458470 451525802 /nfs/dbraw/zinc/52/58/02/451525802.db2.gz DOERNFQMGNELFC-DOTOQJQBSA-N 3 2 336.524 1.582 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000638506099 451549942 /nfs/dbraw/zinc/54/99/42/451549942.db2.gz QJNBIDYQMOSCRX-QGZVFWFLSA-N 2 2 329.444 1.533 20 0 EDADLP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631035654 451543821 /nfs/dbraw/zinc/54/38/21/451543821.db2.gz NWAWNYGWGVBFNV-UHFFFAOYSA-N 2 2 345.896 1.951 20 0 EDADLP CC(C)n1ncnc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000631061884 451562939 /nfs/dbraw/zinc/56/29/39/451562939.db2.gz LDTYJYCUHBHYNU-SFHVURJKSA-N 2 2 342.491 1.937 20 0 EDADLP CC(C)(CCO)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631081432 451573783 /nfs/dbraw/zinc/57/37/83/451573783.db2.gz PKSLJVKCHSZMPD-UHFFFAOYSA-N 2 2 336.476 1.896 20 0 EDADLP CC1(C)COC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631151627 451611665 /nfs/dbraw/zinc/61/16/65/451611665.db2.gz BXFBGZVWIONPLT-GOSISDBHSA-N 2 2 334.460 1.912 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000638611668 451605667 /nfs/dbraw/zinc/60/56/67/451605667.db2.gz PISHYDHTFNTHBS-QGZVFWFLSA-N 2 2 331.460 1.289 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000638611668 451605670 /nfs/dbraw/zinc/60/56/70/451605670.db2.gz PISHYDHTFNTHBS-QGZVFWFLSA-N 2 2 331.460 1.289 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)cc2)C[C@H](C)O1 ZINC000634996019 451640691 /nfs/dbraw/zinc/64/06/91/451640691.db2.gz WPOZHBKNMGDCJD-ZVXXOIICSA-N 2 2 343.471 1.778 20 0 EDADLP C[C@H](c1cccc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1)[NH+]1CCOCC1 ZINC000632911406 451646613 /nfs/dbraw/zinc/64/66/13/451646613.db2.gz ONZWVXMQEYJLLE-COXVUDFISA-N 2 2 330.432 1.658 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cc(C[NH+]3CCSCC3)nn2)c1C ZINC000640954443 451703117 /nfs/dbraw/zinc/70/31/17/451703117.db2.gz HGOIZMZRBPJBES-UHFFFAOYSA-N 2 2 333.461 1.896 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn(CC4CC4)c3)C2)CC1 ZINC000631259653 451667601 /nfs/dbraw/zinc/66/76/01/451667601.db2.gz YBYRZSYUKFNDQA-MRXNPFEDSA-N 2 2 331.464 1.191 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn(CC4CC4)c3)C2)CC1 ZINC000631259653 451667602 /nfs/dbraw/zinc/66/76/02/451667602.db2.gz YBYRZSYUKFNDQA-MRXNPFEDSA-N 2 2 331.464 1.191 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnn2c1CCCC2 ZINC000638984152 451745812 /nfs/dbraw/zinc/74/58/12/451745812.db2.gz IHASCGFUCUBBNQ-UHFFFAOYSA-N 2 2 326.404 1.276 20 0 EDADLP C[C@H]1CCCc2ncc(C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)n21 ZINC000638985468 451746742 /nfs/dbraw/zinc/74/67/42/451746742.db2.gz HYUCNHBBPSPHCN-ZDUSSCGKSA-N 2 2 340.431 1.837 20 0 EDADLP Cn1nc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1C1CC1 ZINC000638985683 451746869 /nfs/dbraw/zinc/74/68/69/451746869.db2.gz DMCHZEMXWDYTEM-UHFFFAOYSA-N 2 2 326.404 1.354 20 0 EDADLP C[NH+](C)[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638986682 451747174 /nfs/dbraw/zinc/74/71/74/451747174.db2.gz XQQMGIPEWREHOI-GOSISDBHSA-N 3 2 339.443 1.733 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641090899 451747644 /nfs/dbraw/zinc/74/76/44/451747644.db2.gz KIIMDULYNWBWMM-DOTOQJQBSA-N 2 2 331.464 1.612 20 0 EDADLP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000639005063 451751355 /nfs/dbraw/zinc/75/13/55/451751355.db2.gz URRDUONBAKBFKV-HNNXBMFYSA-N 2 2 339.443 1.497 20 0 EDADLP OC[C@]1(F)CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639145653 451777161 /nfs/dbraw/zinc/77/71/61/451777161.db2.gz UXIPYMPEOFZHAU-SFHVURJKSA-N 2 2 338.423 1.304 20 0 EDADLP OC[C@]1(F)CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639145653 451777164 /nfs/dbraw/zinc/77/71/64/451777164.db2.gz UXIPYMPEOFZHAU-SFHVURJKSA-N 2 2 338.423 1.304 20 0 EDADLP C[N@@H+]1CCN(CC(C)(C)[NH+]2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000639147997 451777412 /nfs/dbraw/zinc/77/74/12/451777412.db2.gz APOKIKNKGXZHMQ-IBGZPJMESA-N 2 2 331.504 1.956 20 0 EDADLP C[N@H+]1CCN(CC(C)(C)[NH+]2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000639147997 451777414 /nfs/dbraw/zinc/77/74/14/451777414.db2.gz APOKIKNKGXZHMQ-IBGZPJMESA-N 2 2 331.504 1.956 20 0 EDADLP CC[NH2+]Cc1ccn(Cc2cn(Cc3cc(OC)cc(C)[nH+]3)nn2)n1 ZINC000641154056 451763623 /nfs/dbraw/zinc/76/36/23/451763623.db2.gz CVPLDQYAKUYSOM-UHFFFAOYSA-N 2 2 341.419 1.393 20 0 EDADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000641167951 451767575 /nfs/dbraw/zinc/76/75/75/451767575.db2.gz JAMKJHYQJNFOMK-UHFFFAOYSA-N 2 2 337.427 1.717 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCC[NH2+]C3CC3)CC2)c1 ZINC000637329968 451791088 /nfs/dbraw/zinc/79/10/88/451791088.db2.gz QNQFEPRHAYVLFL-HNNXBMFYSA-N 2 2 346.475 1.835 20 0 EDADLP COc1ncc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)s1 ZINC000639207400 451792504 /nfs/dbraw/zinc/79/25/04/451792504.db2.gz YDYOEJQLSKPBQT-UHFFFAOYSA-N 2 2 326.466 1.234 20 0 EDADLP C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639274055 451802439 /nfs/dbraw/zinc/80/24/39/451802439.db2.gz OLZISEXYIZYBDY-HKUYNNGSSA-N 2 2 348.487 1.848 20 0 EDADLP C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000639274055 451802442 /nfs/dbraw/zinc/80/24/42/451802442.db2.gz OLZISEXYIZYBDY-HKUYNNGSSA-N 2 2 348.487 1.848 20 0 EDADLP COCCc1ncc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000639287083 451808923 /nfs/dbraw/zinc/80/89/23/451808923.db2.gz HHLYKJFLZIYJAN-UHFFFAOYSA-N 2 2 325.478 1.629 20 0 EDADLP COCCc1ncc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000639287083 451808925 /nfs/dbraw/zinc/80/89/25/451808925.db2.gz HHLYKJFLZIYJAN-UHFFFAOYSA-N 2 2 325.478 1.629 20 0 EDADLP CCCN(C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H]1CC[N@H+](C)C1 ZINC000646763505 451823557 /nfs/dbraw/zinc/82/35/57/451823557.db2.gz BAGPNPKYLILPJL-OAHLLOKOSA-N 2 2 332.448 1.888 20 0 EDADLP CCCN(C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000646763505 451823563 /nfs/dbraw/zinc/82/35/63/451823563.db2.gz BAGPNPKYLILPJL-OAHLLOKOSA-N 2 2 332.448 1.888 20 0 EDADLP C[C@H]1C[NH+](CCCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H](C)O1 ZINC000651461003 451842802 /nfs/dbraw/zinc/84/28/02/451842802.db2.gz GBUNITPKDUUQFA-HOTGVXAUSA-N 2 2 348.491 1.768 20 0 EDADLP CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641326852 451849627 /nfs/dbraw/zinc/84/96/27/451849627.db2.gz HPNODNRZSOKYOQ-INIZCTEOSA-N 2 2 349.500 1.532 20 0 EDADLP CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641326852 451849631 /nfs/dbraw/zinc/84/96/31/451849631.db2.gz HPNODNRZSOKYOQ-INIZCTEOSA-N 2 2 349.500 1.532 20 0 EDADLP CN([C@H]1CC[NH+](C2CC2)C1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641326852 451849636 /nfs/dbraw/zinc/84/96/36/451849636.db2.gz HPNODNRZSOKYOQ-INIZCTEOSA-N 2 2 349.500 1.532 20 0 EDADLP CN([C@H]1CC[NH+](C2CC2)C1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641326852 451849638 /nfs/dbraw/zinc/84/96/38/451849638.db2.gz HPNODNRZSOKYOQ-INIZCTEOSA-N 2 2 349.500 1.532 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2(c3cccc(F)c3)CC2)C[C@@H](C)O1 ZINC000644572465 451868496 /nfs/dbraw/zinc/86/84/96/451868496.db2.gz RGEZGJHWPDFECE-IIDMSEBBSA-N 2 2 336.451 1.917 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc(C)[nH+]1 ZINC000653434995 451949144 /nfs/dbraw/zinc/94/91/44/451949144.db2.gz PLFSSVOESKEQQE-UHFFFAOYSA-N 2 2 332.448 1.259 20 0 EDADLP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641384940 451919375 /nfs/dbraw/zinc/91/93/75/451919375.db2.gz YPLBGEVYESOIBM-OAHLLOKOSA-N 2 2 337.489 1.389 20 0 EDADLP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641384940 451919382 /nfs/dbraw/zinc/91/93/82/451919382.db2.gz YPLBGEVYESOIBM-OAHLLOKOSA-N 2 2 337.489 1.389 20 0 EDADLP CC(C)C(=O)NCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639555994 451943609 /nfs/dbraw/zinc/94/36/09/451943609.db2.gz YMKADGVSVIHUMT-IBGZPJMESA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)C(=O)NCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639555994 451943615 /nfs/dbraw/zinc/94/36/15/451943615.db2.gz YMKADGVSVIHUMT-IBGZPJMESA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)C(=O)NCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639555994 451943629 /nfs/dbraw/zinc/94/36/29/451943629.db2.gz YMKADGVSVIHUMT-IBGZPJMESA-N 2 2 333.476 1.327 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@H]3C[NH3+])CC2)cc1F ZINC000649280344 451952650 /nfs/dbraw/zinc/95/26/50/451952650.db2.gz DUIJMEUXGKTIJV-JKSUJKDBSA-N 2 2 349.450 1.854 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@]1([NH3+])CCN(C)C1)c1cccc(OC)c1 ZINC000649282870 451955756 /nfs/dbraw/zinc/95/57/56/451955756.db2.gz PFWZWTLCFDHRGL-MJGOQNOKSA-N 2 2 348.491 1.227 20 0 EDADLP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@]2([NH3+])CCN(C)C2)CC1 ZINC000649288406 451962215 /nfs/dbraw/zinc/96/22/15/451962215.db2.gz OGJFNRKTFICJRF-FQEVSTJZSA-N 2 2 344.503 1.568 20 0 EDADLP CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641430138 451968833 /nfs/dbraw/zinc/96/88/33/451968833.db2.gz FDNABFFEHODPTB-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641430138 451968840 /nfs/dbraw/zinc/96/88/40/451968840.db2.gz FDNABFFEHODPTB-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP CN(CC[NH+](C)C1CC1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641430138 451968844 /nfs/dbraw/zinc/96/88/44/451968844.db2.gz FDNABFFEHODPTB-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP CN(CC[NH+](C)C1CC1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641430138 451968847 /nfs/dbraw/zinc/96/88/47/451968847.db2.gz FDNABFFEHODPTB-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CCO1 ZINC000649312145 451989884 /nfs/dbraw/zinc/98/98/84/451989884.db2.gz TXZDRGYEGMWIHK-CQSZACIVSA-N 2 2 325.840 1.567 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CCO1 ZINC000649312145 451989893 /nfs/dbraw/zinc/98/98/93/451989893.db2.gz TXZDRGYEGMWIHK-CQSZACIVSA-N 2 2 325.840 1.567 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649320800 452000538 /nfs/dbraw/zinc/00/05/38/452000538.db2.gz AGPCLEYKGFDTAD-FUHWJXTLSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H](c1cccc(NC(=O)COC2(C)C[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000649322877 452001686 /nfs/dbraw/zinc/00/16/86/452001686.db2.gz SKTNTWJZVRZJQP-AWEZNQCLSA-N 2 2 333.432 1.397 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000639681734 452021267 /nfs/dbraw/zinc/02/12/67/452021267.db2.gz DFBXRUPAOBGJII-UHFFFAOYSA-N 2 2 328.420 1.274 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000639681734 452021274 /nfs/dbraw/zinc/02/12/74/452021274.db2.gz DFBXRUPAOBGJII-UHFFFAOYSA-N 2 2 328.420 1.274 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)o1 ZINC000649346007 452027762 /nfs/dbraw/zinc/02/77/62/452027762.db2.gz VPVSLQOACPHMOJ-HUUCEWRRSA-N 2 2 334.464 1.973 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCC[NH2+]3)C2)o1 ZINC000649346007 452027765 /nfs/dbraw/zinc/02/77/65/452027765.db2.gz VPVSLQOACPHMOJ-HUUCEWRRSA-N 2 2 334.464 1.973 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000649347768 452029885 /nfs/dbraw/zinc/02/98/85/452029885.db2.gz ZLZITRSYPHOQLL-DAXOMENPSA-N 2 2 337.851 1.519 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000647065213 452038784 /nfs/dbraw/zinc/03/87/84/452038784.db2.gz KAFJINCGJIGLLJ-GOSISDBHSA-N 2 2 335.423 1.292 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000649357004 452039322 /nfs/dbraw/zinc/03/93/22/452039322.db2.gz SELJKZKFOZYCDT-QGZVFWFLSA-N 2 2 349.438 1.910 20 0 EDADLP CC(C)OCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000649366676 452044081 /nfs/dbraw/zinc/04/40/81/452044081.db2.gz OYPJPKAJXYYYFI-KRWDZBQOSA-N 2 2 330.432 1.342 20 0 EDADLP C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641512458 452045363 /nfs/dbraw/zinc/04/53/63/452045363.db2.gz ZEBPNIIKILWOHF-XJKSGUPXSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641512458 452045371 /nfs/dbraw/zinc/04/53/71/452045371.db2.gz ZEBPNIIKILWOHF-XJKSGUPXSA-N 2 2 337.489 1.388 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCOCC1 ZINC000647076226 452045784 /nfs/dbraw/zinc/04/57/84/452045784.db2.gz CUYIVUOEIJGZKG-KBPBESRZSA-N 2 2 333.423 1.237 20 0 EDADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000651759617 452060016 /nfs/dbraw/zinc/06/00/16/452060016.db2.gz XHHRJLVNNDKUPE-LSDHHAIUSA-N 2 2 336.480 1.952 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)cn21 ZINC000647097916 452060026 /nfs/dbraw/zinc/06/00/26/452060026.db2.gz AIYLNUAOOZVZNC-CYBMUJFWSA-N 2 2 338.415 1.415 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)c2ccccc2O1 ZINC000653686965 452077447 /nfs/dbraw/zinc/07/74/47/452077447.db2.gz HEEDGPPWDNDHMC-LSDHHAIUSA-N 2 2 340.427 1.801 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCCC[NH2+]1 ZINC000637799521 452088676 /nfs/dbraw/zinc/08/86/76/452088676.db2.gz MYRDXCJLTACTFT-GOSISDBHSA-N 2 2 332.448 1.457 20 0 EDADLP CC(C)Cn1nccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000647184003 452111775 /nfs/dbraw/zinc/11/17/75/452111775.db2.gz XEXSWCOZXLNYEA-KRWDZBQOSA-N 2 2 335.496 1.035 20 0 EDADLP CC(C)Oc1cc[nH+]c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000649509056 452115492 /nfs/dbraw/zinc/11/54/92/452115492.db2.gz NJRLCSFPIPHLAW-UHFFFAOYSA-N 2 2 346.475 1.609 20 0 EDADLP CCC[C@H](C)[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000651894164 452150974 /nfs/dbraw/zinc/15/09/74/452150974.db2.gz UICBOZIHINCUEB-FUHWJXTLSA-N 2 2 327.513 1.170 20 0 EDADLP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000651894164 452150978 /nfs/dbraw/zinc/15/09/78/452150978.db2.gz UICBOZIHINCUEB-FUHWJXTLSA-N 2 2 327.513 1.170 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651919401 452167356 /nfs/dbraw/zinc/16/73/56/452167356.db2.gz QUFSXQFZUAMGQB-OAHLLOKOSA-N 2 2 346.475 1.474 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651919401 452167363 /nfs/dbraw/zinc/16/73/63/452167363.db2.gz QUFSXQFZUAMGQB-OAHLLOKOSA-N 2 2 346.475 1.474 20 0 EDADLP C[C@H](O)C[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000653898449 452167455 /nfs/dbraw/zinc/16/74/55/452167455.db2.gz ZRNQAJVZGVBAKQ-IRXDYDNUSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@H](O)C[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000653898449 452167460 /nfs/dbraw/zinc/16/74/60/452167460.db2.gz ZRNQAJVZGVBAKQ-IRXDYDNUSA-N 2 2 345.487 1.737 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000649614911 452169309 /nfs/dbraw/zinc/16/93/09/452169309.db2.gz LOTYJUHZJZGMNM-OAHLLOKOSA-N 2 2 328.416 1.500 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000649614911 452169314 /nfs/dbraw/zinc/16/93/14/452169314.db2.gz LOTYJUHZJZGMNM-OAHLLOKOSA-N 2 2 328.416 1.500 20 0 EDADLP C[C@]1(CO)C[C@@H](O)C[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000639849420 452180156 /nfs/dbraw/zinc/18/01/56/452180156.db2.gz OLRNLKFJVRSECM-CEXWTWQISA-N 2 2 334.460 1.095 20 0 EDADLP C[C@]1(CO)C[C@@H](O)C[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000639849420 452180160 /nfs/dbraw/zinc/18/01/60/452180160.db2.gz OLRNLKFJVRSECM-CEXWTWQISA-N 2 2 334.460 1.095 20 0 EDADLP C[C@]1(CO)C[C@@H](O)C[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000639849420 452180164 /nfs/dbraw/zinc/18/01/64/452180164.db2.gz OLRNLKFJVRSECM-CEXWTWQISA-N 2 2 334.460 1.095 20 0 EDADLP C[C@]1(CO)C[C@@H](O)C[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000639849420 452180166 /nfs/dbraw/zinc/18/01/66/452180166.db2.gz OLRNLKFJVRSECM-CEXWTWQISA-N 2 2 334.460 1.095 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCn3c(CC4CC4)nnc3C2)CC1 ZINC000649704645 452205278 /nfs/dbraw/zinc/20/52/78/452205278.db2.gz PSXHTJGQJURTNV-UHFFFAOYSA-N 2 2 346.523 1.462 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000645221373 452217319 /nfs/dbraw/zinc/21/73/19/452217319.db2.gz KWYOMTXHKQLLJD-UHFFFAOYSA-N 2 2 331.460 1.919 20 0 EDADLP CC[NH+](CC)CCN(Cc1ccccc1)Cc1c[nH+]c(N)nc1N ZINC000637977657 452221685 /nfs/dbraw/zinc/22/16/85/452221685.db2.gz MCBVIQLUEJEKAP-UHFFFAOYSA-N 2 2 328.464 1.646 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000641771248 452244261 /nfs/dbraw/zinc/24/42/61/452244261.db2.gz FGOOFLPCBZOTJB-KRWDZBQOSA-N 3 2 331.464 1.758 20 0 EDADLP C[C@H](NC(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1[nH+]ccn1C ZINC000661446137 452247532 /nfs/dbraw/zinc/24/75/32/452247532.db2.gz ZPIISRGZVKCAEM-AWEZNQCLSA-N 2 2 349.479 1.671 20 0 EDADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000645288341 452266552 /nfs/dbraw/zinc/26/65/52/452266552.db2.gz PVBCXXXEAFSMSH-RHSMWYFYSA-N 2 2 344.459 1.204 20 0 EDADLP c1ccc2c(c1)n[nH]c2C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789787 452269492 /nfs/dbraw/zinc/26/94/92/452269492.db2.gz VCCFZMYILWFZDH-INIZCTEOSA-N 2 2 343.475 1.449 20 0 EDADLP CC1(C)C[NH2+][C@@H]1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000645288672 452269910 /nfs/dbraw/zinc/26/99/10/452269910.db2.gz YHZIOZRLONSJHP-QGZVFWFLSA-N 2 2 344.459 1.204 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000659428548 452271904 /nfs/dbraw/zinc/27/19/04/452271904.db2.gz AQESVXWDRHWTAM-DOTOQJQBSA-N 2 2 334.464 1.275 20 0 EDADLP O[C@H]1CC[N@H+](Cc2ccccc2CNc2nc[nH+]c3c2OCCN3)C1 ZINC000665711018 452273255 /nfs/dbraw/zinc/27/32/55/452273255.db2.gz ZGWDWTQWVMLYFE-HNNXBMFYSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2nc[nH+]c3c2OCCN3)C1 ZINC000665711018 452273262 /nfs/dbraw/zinc/27/32/62/452273262.db2.gz ZGWDWTQWVMLYFE-HNNXBMFYSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@H]1CC[N@H+](Cc2ccccc2CNc2[nH+]cnc3c2OCCN3)C1 ZINC000665711018 452273269 /nfs/dbraw/zinc/27/32/69/452273269.db2.gz ZGWDWTQWVMLYFE-HNNXBMFYSA-N 2 2 341.415 1.460 20 0 EDADLP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2[nH+]cnc3c2OCCN3)C1 ZINC000665711018 452273273 /nfs/dbraw/zinc/27/32/73/452273273.db2.gz ZGWDWTQWVMLYFE-HNNXBMFYSA-N 2 2 341.415 1.460 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659450175 452300501 /nfs/dbraw/zinc/30/05/01/452300501.db2.gz XOCIJSDYIDUHFC-HUUCEWRRSA-N 2 2 331.395 1.504 20 0 EDADLP COC[C@@]1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CCCC[NH2+]1 ZINC000638054930 452338928 /nfs/dbraw/zinc/33/89/28/452338928.db2.gz POHXNYRFDXULHI-GOSISDBHSA-N 2 2 330.432 1.620 20 0 EDADLP C[C@H](Cc1cccs1)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663658303 452399223 /nfs/dbraw/zinc/39/92/23/452399223.db2.gz KUQWTRLQBAPDNQ-CQSZACIVSA-N 2 2 326.510 1.862 20 0 EDADLP C[C@H](Cc1cccs1)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663658303 452399234 /nfs/dbraw/zinc/39/92/34/452399234.db2.gz KUQWTRLQBAPDNQ-CQSZACIVSA-N 2 2 326.510 1.862 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000640061424 452401991 /nfs/dbraw/zinc/40/19/91/452401991.db2.gz DFQMAJFVHCRVKS-QWHCGFSZSA-N 2 2 346.431 1.737 20 0 EDADLP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCn2c[nH+]cc2C1 ZINC000659577788 452431926 /nfs/dbraw/zinc/43/19/26/452431926.db2.gz WOHKFWAUTRTGMC-IAGOWNOFSA-N 2 2 325.416 1.554 20 0 EDADLP C[C@H](CNC(=O)NCCCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654394120 452446116 /nfs/dbraw/zinc/44/61/16/452446116.db2.gz IWHIEQKANGLTDK-OAGGEKHMSA-N 2 2 337.468 1.460 20 0 EDADLP C[C@H](CNC(=O)NCCCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654394120 452446122 /nfs/dbraw/zinc/44/61/22/452446122.db2.gz IWHIEQKANGLTDK-OAGGEKHMSA-N 2 2 337.468 1.460 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000659600166 452455175 /nfs/dbraw/zinc/45/51/75/452455175.db2.gz UVRSXJRHAOLHJK-LLVKDONJSA-N 2 2 331.247 1.778 20 0 EDADLP CCN(C[C@@H](C)OC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643717516 452516816 /nfs/dbraw/zinc/51/68/16/452516816.db2.gz PPQHHLADVBJVOA-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP CCN(C[C@@H](C)OC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643717516 452516821 /nfs/dbraw/zinc/51/68/21/452516821.db2.gz PPQHHLADVBJVOA-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP c1cc(CN2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)ccn1 ZINC000655695089 452517541 /nfs/dbraw/zinc/51/75/41/452517541.db2.gz QIBKKTCVRJIKOK-HXUWFJFHSA-N 2 2 344.503 1.889 20 0 EDADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C(=O)NCc1cccs1 ZINC000647802311 452533820 /nfs/dbraw/zinc/53/38/20/452533820.db2.gz INZZAVXWQKKEPD-YDHLFZDLSA-N 2 2 325.478 1.500 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C[C@H]1C[NH3+] ZINC000652358278 452540451 /nfs/dbraw/zinc/54/04/51/452540451.db2.gz RKOLDSTWWAXYLN-CXHZTBPHSA-N 2 2 331.460 1.648 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C[C@H]1C[NH3+] ZINC000652358278 452540458 /nfs/dbraw/zinc/54/04/58/452540458.db2.gz RKOLDSTWWAXYLN-CXHZTBPHSA-N 2 2 331.460 1.648 20 0 EDADLP CCC[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370625 452555890 /nfs/dbraw/zinc/55/58/90/452555890.db2.gz HFLZFZIWAGDCCH-GDBMZVCRSA-N 2 2 326.485 1.269 20 0 EDADLP CCC[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OC ZINC000652370625 452555894 /nfs/dbraw/zinc/55/58/94/452555894.db2.gz HFLZFZIWAGDCCH-GDBMZVCRSA-N 2 2 326.485 1.269 20 0 EDADLP c1nnn(-c2ccccc2)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655770943 452568576 /nfs/dbraw/zinc/56/85/76/452568576.db2.gz VDWANFXYVSIHLA-QGZVFWFLSA-N 2 2 327.432 1.610 20 0 EDADLP Cn1nnc2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000655829433 452599714 /nfs/dbraw/zinc/59/97/14/452599714.db2.gz NXTSPGVDHQAPKK-OAHLLOKOSA-N 2 2 326.448 1.322 20 0 EDADLP Cc1cc(CO)cc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)[nH+]1 ZINC000647867720 452605966 /nfs/dbraw/zinc/60/59/66/452605966.db2.gz SRLLTLJAVUVCTO-SFHVURJKSA-N 2 2 348.491 1.114 20 0 EDADLP Cc1cc(CO)cc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)[nH+]1 ZINC000647867720 452605978 /nfs/dbraw/zinc/60/59/78/452605978.db2.gz SRLLTLJAVUVCTO-SFHVURJKSA-N 2 2 348.491 1.114 20 0 EDADLP O=S(=O)(N[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1)c1cccc(F)c1 ZINC000647884478 452623156 /nfs/dbraw/zinc/62/31/56/452623156.db2.gz UPMRWOMICAFHHX-ZFWWWQNUSA-N 2 2 341.452 1.178 20 0 EDADLP O=S(=O)(N[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1)c1cccc(F)c1 ZINC000647884478 452623162 /nfs/dbraw/zinc/62/31/62/452623162.db2.gz UPMRWOMICAFHHX-ZFWWWQNUSA-N 2 2 341.452 1.178 20 0 EDADLP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000647909284 452648414 /nfs/dbraw/zinc/64/84/14/452648414.db2.gz UWGDCCKUEQRLKB-KRWDZBQOSA-N 2 2 331.460 1.578 20 0 EDADLP Cc1cc(C)cc(OCC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000647909284 452648424 /nfs/dbraw/zinc/64/84/24/452648424.db2.gz UWGDCCKUEQRLKB-KRWDZBQOSA-N 2 2 331.460 1.578 20 0 EDADLP CC1([NH3+])CC[NH+](CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000647924333 452662235 /nfs/dbraw/zinc/66/22/35/452662235.db2.gz ZAOWGUXWUAVKQL-UHFFFAOYSA-N 2 2 325.478 1.261 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCCOC2CCCCC2)CC[C@H]1[NH3+] ZINC000647937097 452678647 /nfs/dbraw/zinc/67/86/47/452678647.db2.gz QSHANEPQLKKGPH-DOTOQJQBSA-N 2 2 325.497 1.901 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCCOC2CCCCC2)CC[C@H]1[NH3+] ZINC000647937097 452678656 /nfs/dbraw/zinc/67/86/56/452678656.db2.gz QSHANEPQLKKGPH-DOTOQJQBSA-N 2 2 325.497 1.901 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2[nH+]1 ZINC000658007337 452679361 /nfs/dbraw/zinc/67/93/61/452679361.db2.gz PNVTWZJAHXGTBM-AWEZNQCLSA-N 2 2 343.431 1.429 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC[C@@H]3CCC[N@H+](C)C3)cc2[nH+]1 ZINC000658007337 452679373 /nfs/dbraw/zinc/67/93/73/452679373.db2.gz PNVTWZJAHXGTBM-AWEZNQCLSA-N 2 2 343.431 1.429 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC000647950503 452694569 /nfs/dbraw/zinc/69/45/69/452694569.db2.gz WYFQGZBJLCWQFC-IRXDYDNUSA-N 2 2 330.476 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC000647950503 452694575 /nfs/dbraw/zinc/69/45/75/452694575.db2.gz WYFQGZBJLCWQFC-IRXDYDNUSA-N 2 2 330.476 1.814 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000647969860 452716388 /nfs/dbraw/zinc/71/63/88/452716388.db2.gz VIUIZNRMWAZDSB-QGZVFWFLSA-N 2 2 336.476 1.989 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000647969860 452716392 /nfs/dbraw/zinc/71/63/92/452716392.db2.gz VIUIZNRMWAZDSB-QGZVFWFLSA-N 2 2 336.476 1.989 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH+]1CCOCC1 ZINC000666262404 452725694 /nfs/dbraw/zinc/72/56/94/452725694.db2.gz RXZONRVDENASBN-ZACQAIPSSA-N 2 2 348.491 1.777 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661980733 452735038 /nfs/dbraw/zinc/73/50/38/452735038.db2.gz FFBYLUIBZVOUEI-INIZCTEOSA-N 2 2 343.431 1.387 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000658139078 452746060 /nfs/dbraw/zinc/74/60/60/452746060.db2.gz KRYDLRYQTXCSSY-CDHQVMDDSA-N 3 2 329.488 1.826 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139078 452746065 /nfs/dbraw/zinc/74/60/65/452746065.db2.gz KRYDLRYQTXCSSY-CDHQVMDDSA-N 3 2 329.488 1.826 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139078 452746074 /nfs/dbraw/zinc/74/60/74/452746074.db2.gz KRYDLRYQTXCSSY-CDHQVMDDSA-N 3 2 329.488 1.826 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656039 452767204 /nfs/dbraw/zinc/76/72/04/452767204.db2.gz ZVKYOXUFHZUGHG-WCXIOVBPSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656039 452767214 /nfs/dbraw/zinc/76/72/14/452767214.db2.gz ZVKYOXUFHZUGHG-WCXIOVBPSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656039 452767222 /nfs/dbraw/zinc/76/72/22/452767222.db2.gz ZVKYOXUFHZUGHG-WCXIOVBPSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654656039 452767230 /nfs/dbraw/zinc/76/72/30/452767230.db2.gz ZVKYOXUFHZUGHG-WCXIOVBPSA-N 2 2 340.512 1.610 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000664078215 452772751 /nfs/dbraw/zinc/77/27/51/452772751.db2.gz YEEQDXQHTVXDTN-MRXNPFEDSA-N 3 2 327.517 1.044 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000664078215 452772760 /nfs/dbraw/zinc/77/27/60/452772760.db2.gz YEEQDXQHTVXDTN-MRXNPFEDSA-N 3 2 327.517 1.044 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664078215 452772767 /nfs/dbraw/zinc/77/27/67/452772767.db2.gz YEEQDXQHTVXDTN-MRXNPFEDSA-N 3 2 327.517 1.044 20 0 EDADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664078215 452772776 /nfs/dbraw/zinc/77/27/76/452772776.db2.gz YEEQDXQHTVXDTN-MRXNPFEDSA-N 3 2 327.517 1.044 20 0 EDADLP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294356 452836086 /nfs/dbraw/zinc/83/60/86/452836086.db2.gz HENWAGKAKGFLCR-MSOLQXFVSA-N 2 2 326.481 1.661 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1[nH+]ccn1C ZINC000662096941 452838987 /nfs/dbraw/zinc/83/89/87/452838987.db2.gz MFVKNLBTSWZJHF-HUUCEWRRSA-N 2 2 335.452 1.235 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1[nH+]ccn1C ZINC000662099097 452840815 /nfs/dbraw/zinc/84/08/15/452840815.db2.gz JOPLNOBTFDZKBZ-BPUTZDHNSA-N 2 2 349.479 1.548 20 0 EDADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000648174294 452884287 /nfs/dbraw/zinc/88/42/87/452884287.db2.gz AIDWJJUQSVUKNT-AIANPOQGSA-N 2 2 342.443 1.127 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@@H]21 ZINC000648176073 452886855 /nfs/dbraw/zinc/88/68/55/452886855.db2.gz WNUCLBUGPORLGN-ZWKOTPCHSA-N 2 2 343.471 1.239 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@@H]21 ZINC000648176073 452886865 /nfs/dbraw/zinc/88/68/65/452886865.db2.gz WNUCLBUGPORLGN-ZWKOTPCHSA-N 2 2 343.471 1.239 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982507 452890231 /nfs/dbraw/zinc/89/02/31/452890231.db2.gz OUAZVJGUWWRQSY-MRXNPFEDSA-N 2 2 339.505 1.758 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982507 452890236 /nfs/dbraw/zinc/89/02/36/452890236.db2.gz OUAZVJGUWWRQSY-MRXNPFEDSA-N 2 2 339.505 1.758 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982507 452890244 /nfs/dbraw/zinc/89/02/44/452890244.db2.gz OUAZVJGUWWRQSY-MRXNPFEDSA-N 2 2 339.505 1.758 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982507 452890248 /nfs/dbraw/zinc/89/02/48/452890248.db2.gz OUAZVJGUWWRQSY-MRXNPFEDSA-N 2 2 339.505 1.758 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC000650713940 452948402 /nfs/dbraw/zinc/94/84/02/452948402.db2.gz KCFWCMDDWXEYIA-SJLPKXTDSA-N 2 2 332.423 1.866 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC000650713940 452948411 /nfs/dbraw/zinc/94/84/11/452948411.db2.gz KCFWCMDDWXEYIA-SJLPKXTDSA-N 2 2 332.423 1.866 20 0 EDADLP O=C(c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248832 452972681 /nfs/dbraw/zinc/97/26/81/452972681.db2.gz KJSPMNGFZMSKIC-MRXNPFEDSA-N 2 2 349.862 1.619 20 0 EDADLP CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249468 452976441 /nfs/dbraw/zinc/97/64/41/452976441.db2.gz OFMZUPKUPNBKQN-CYBMUJFWSA-N 2 2 328.416 1.678 20 0 EDADLP CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249468 452976448 /nfs/dbraw/zinc/97/64/48/452976448.db2.gz OFMZUPKUPNBKQN-CYBMUJFWSA-N 2 2 328.416 1.678 20 0 EDADLP O=C(NC1CC1)c1ccc(C[N@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000662253521 452980922 /nfs/dbraw/zinc/98/09/22/452980922.db2.gz ZVSGDPVYCCMTMP-SFHVURJKSA-N 2 2 329.444 1.532 20 0 EDADLP O=C(NC1CC1)c1ccc(C[N@@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000662253521 452980926 /nfs/dbraw/zinc/98/09/26/452980926.db2.gz ZVSGDPVYCCMTMP-SFHVURJKSA-N 2 2 329.444 1.532 20 0 EDADLP c1ccc(N(CC[NH+]2CCOCC2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662260364 452989600 /nfs/dbraw/zinc/98/96/00/452989600.db2.gz KJRMSOMXOHTEOB-SFHVURJKSA-N 2 2 331.460 1.346 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC34CCSCC4)C2)CC1 ZINC000648316092 452999218 /nfs/dbraw/zinc/99/92/18/452999218.db2.gz BDFXEXXHBBQWSW-HOCLYGCPSA-N 2 2 337.533 1.804 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC34CCSCC4)C2)CC1 ZINC000648316092 452999223 /nfs/dbraw/zinc/99/92/23/452999223.db2.gz BDFXEXXHBBQWSW-HOCLYGCPSA-N 2 2 337.533 1.804 20 0 EDADLP Brc1ccc(N2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662305720 453025138 /nfs/dbraw/zinc/02/51/38/453025138.db2.gz KSKZGAJDWAFDSH-HNNXBMFYSA-N 2 2 340.265 1.560 20 0 EDADLP CN(C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662315564 453033490 /nfs/dbraw/zinc/03/34/90/453033490.db2.gz GJPHLOUNHVBORF-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP CN(C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662315564 453033499 /nfs/dbraw/zinc/03/34/99/453033499.db2.gz GJPHLOUNHVBORF-QGZVFWFLSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652881912 453039782 /nfs/dbraw/zinc/03/97/82/453039782.db2.gz GYTRYOGWKCJBBO-MJGOQNOKSA-N 2 2 345.487 1.340 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652881912 453039792 /nfs/dbraw/zinc/03/97/92/453039792.db2.gz GYTRYOGWKCJBBO-MJGOQNOKSA-N 2 2 345.487 1.340 20 0 EDADLP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652890322 453056397 /nfs/dbraw/zinc/05/63/97/453056397.db2.gz XWIBWJMFQZJAKK-MSOLQXFVSA-N 2 2 347.434 1.068 20 0 EDADLP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652890322 453056407 /nfs/dbraw/zinc/05/64/07/453056407.db2.gz XWIBWJMFQZJAKK-MSOLQXFVSA-N 2 2 347.434 1.068 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652890322 453056419 /nfs/dbraw/zinc/05/64/19/453056419.db2.gz XWIBWJMFQZJAKK-MSOLQXFVSA-N 2 2 347.434 1.068 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652890322 453056428 /nfs/dbraw/zinc/05/64/28/453056428.db2.gz XWIBWJMFQZJAKK-MSOLQXFVSA-N 2 2 347.434 1.068 20 0 EDADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889358 453057761 /nfs/dbraw/zinc/05/77/61/453057761.db2.gz PWUGDEGVDMWDIQ-MRXNPFEDSA-N 2 2 339.395 1.765 20 0 EDADLP O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889358 453057770 /nfs/dbraw/zinc/05/77/70/453057770.db2.gz PWUGDEGVDMWDIQ-MRXNPFEDSA-N 2 2 339.395 1.765 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000664395703 453059755 /nfs/dbraw/zinc/05/97/55/453059755.db2.gz IYNZHNSMLCQVLO-IXDOHACOSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000664395703 453059763 /nfs/dbraw/zinc/05/97/63/453059763.db2.gz IYNZHNSMLCQVLO-IXDOHACOSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000664395703 453059770 /nfs/dbraw/zinc/05/97/70/453059770.db2.gz IYNZHNSMLCQVLO-IXDOHACOSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000664395703 453059776 /nfs/dbraw/zinc/05/97/76/453059776.db2.gz IYNZHNSMLCQVLO-IXDOHACOSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000662385939 453094411 /nfs/dbraw/zinc/09/44/11/453094411.db2.gz LQLZJWVKGZMFMQ-AEFFLSMTSA-N 2 2 348.491 1.066 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCC[C@H]3CCCC[C@H]31)CCO2 ZINC000646102898 453103716 /nfs/dbraw/zinc/10/37/16/453103716.db2.gz WPRSIKWRUWNEEQ-QZTJIDSGSA-N 2 2 349.519 1.964 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCC[C@H]3CCCC[C@H]31)CCO2 ZINC000646102898 453103721 /nfs/dbraw/zinc/10/37/21/453103721.db2.gz WPRSIKWRUWNEEQ-QZTJIDSGSA-N 2 2 349.519 1.964 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103567 453106359 /nfs/dbraw/zinc/10/63/59/453106359.db2.gz XOMFNACIKHBUGO-QGZVFWFLSA-N 2 2 345.487 1.530 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103567 453106370 /nfs/dbraw/zinc/10/63/70/453106370.db2.gz XOMFNACIKHBUGO-QGZVFWFLSA-N 2 2 345.487 1.530 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000664472871 453125148 /nfs/dbraw/zinc/12/51/48/453125148.db2.gz RYNWPDWLENFVPF-OTWHNJEPSA-N 2 2 344.503 1.755 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000664472871 453125155 /nfs/dbraw/zinc/12/51/55/453125155.db2.gz RYNWPDWLENFVPF-OTWHNJEPSA-N 2 2 344.503 1.755 20 0 EDADLP C[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660255507 453157106 /nfs/dbraw/zinc/15/71/06/453157106.db2.gz CCRSWFXDHSRBKY-GXTWGEPZSA-N 2 2 341.477 1.670 20 0 EDADLP C[C@H]([NH2+]Cc1coc(S(N)(=O)=O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660255507 453157114 /nfs/dbraw/zinc/15/71/14/453157114.db2.gz CCRSWFXDHSRBKY-GXTWGEPZSA-N 2 2 341.477 1.670 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@H](C)CO1 ZINC000664520788 453161784 /nfs/dbraw/zinc/16/17/84/453161784.db2.gz POJBPHRQZOVNBZ-OAGGEKHMSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@H](C)CO1 ZINC000664520788 453161791 /nfs/dbraw/zinc/16/17/91/453161791.db2.gz POJBPHRQZOVNBZ-OAGGEKHMSA-N 2 2 347.463 1.069 20 0 EDADLP C[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H]1CCO ZINC000664538122 453177871 /nfs/dbraw/zinc/17/78/71/453177871.db2.gz YZMKWMPNSCENNS-NVXWUHKLSA-N 2 2 340.512 1.205 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000648643940 453179136 /nfs/dbraw/zinc/17/91/36/453179136.db2.gz WBPKSPQNWDQFIB-GOSISDBHSA-N 3 2 335.492 1.563 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000648643940 453179141 /nfs/dbraw/zinc/17/91/41/453179141.db2.gz WBPKSPQNWDQFIB-GOSISDBHSA-N 3 2 335.492 1.563 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000648643943 453179241 /nfs/dbraw/zinc/17/92/41/453179241.db2.gz WBPKSPQNWDQFIB-SFHVURJKSA-N 3 2 335.492 1.563 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000648643943 453179244 /nfs/dbraw/zinc/17/92/44/453179244.db2.gz WBPKSPQNWDQFIB-SFHVURJKSA-N 3 2 335.492 1.563 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000660322778 453211787 /nfs/dbraw/zinc/21/17/87/453211787.db2.gz CVVPHQIRLKGSMU-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[NH+]1CCOCC1 ZINC000660322778 453211788 /nfs/dbraw/zinc/21/17/88/453211788.db2.gz CVVPHQIRLKGSMU-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC(F)F ZINC000653067598 453246500 /nfs/dbraw/zinc/24/65/00/453246500.db2.gz FYVKKQZIWQGCQM-NSHDSACASA-N 2 2 331.363 1.192 20 0 EDADLP CCCN(C(=O)NCCc1cn2c(cccc2C)[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000646235052 453246640 /nfs/dbraw/zinc/24/66/40/453246640.db2.gz ZSBVUNOVRIGBQQ-MRXNPFEDSA-N 2 2 329.448 1.969 20 0 EDADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662531605 453254738 /nfs/dbraw/zinc/25/47/38/453254738.db2.gz YTRUKNABTHLSDB-GJZGRUSLSA-N 2 2 349.500 1.767 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000656536237 453259791 /nfs/dbraw/zinc/25/97/91/453259791.db2.gz KSTMQELBTIEFNZ-UHFFFAOYSA-N 2 2 349.479 1.463 20 0 EDADLP CC(C)Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780735 453263391 /nfs/dbraw/zinc/26/33/91/453263391.db2.gz XYRUVOPAJAURLQ-OAHLLOKOSA-N 2 2 333.480 1.437 20 0 EDADLP CC(C)Cn1nccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780735 453263396 /nfs/dbraw/zinc/26/33/96/453263396.db2.gz XYRUVOPAJAURLQ-OAHLLOKOSA-N 2 2 333.480 1.437 20 0 EDADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653093201 453276909 /nfs/dbraw/zinc/27/69/09/453276909.db2.gz ZBDSYAXQCAXPDO-UGFHNGPFSA-N 2 2 327.856 1.811 20 0 EDADLP CC[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Oc1ccccc1Cl ZINC000653099455 453281160 /nfs/dbraw/zinc/28/11/60/453281160.db2.gz RBMPAVTZFQUMID-JSGCOSHPSA-N 2 2 327.856 1.893 20 0 EDADLP Clc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc2c1OCCCO2 ZINC000666964640 453283099 /nfs/dbraw/zinc/28/30/99/453283099.db2.gz OLMOMAFOLAVSGH-ZDUSSCGKSA-N 2 2 326.824 1.969 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000648798585 453284451 /nfs/dbraw/zinc/28/44/51/453284451.db2.gz OKNBNCLZXBLSFC-HZPDHXFCSA-N 2 2 334.464 1.720 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000648801063 453285591 /nfs/dbraw/zinc/28/55/91/453285591.db2.gz GLCOEAOARIQLHO-BZUAXINKSA-N 2 2 334.464 1.576 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000666971857 453287055 /nfs/dbraw/zinc/28/70/55/453287055.db2.gz IRIIANWFCOIICO-HOTGVXAUSA-N 2 2 347.463 1.900 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653108953 453294525 /nfs/dbraw/zinc/29/45/25/453294525.db2.gz NHMJZYIPFZHGBS-VQIMIIECSA-N 3 2 346.519 1.814 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2)C1 ZINC000653108953 453294533 /nfs/dbraw/zinc/29/45/33/453294533.db2.gz NHMJZYIPFZHGBS-VQIMIIECSA-N 3 2 346.519 1.814 20 0 EDADLP CC[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000653110067 453296268 /nfs/dbraw/zinc/29/62/68/453296268.db2.gz WUHRXTWPULNCGO-QZTJIDSGSA-N 3 2 332.492 1.219 20 0 EDADLP CC[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000653110067 453296272 /nfs/dbraw/zinc/29/62/72/453296272.db2.gz WUHRXTWPULNCGO-QZTJIDSGSA-N 3 2 332.492 1.219 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000653115333 453302800 /nfs/dbraw/zinc/30/28/00/453302800.db2.gz KXLPHKZKYOFWOR-ZDUSSCGKSA-N 2 2 331.445 1.845 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000653116552 453304376 /nfs/dbraw/zinc/30/43/76/453304376.db2.gz LPPMCQLDABSUSN-IBGZPJMESA-N 3 2 346.519 1.636 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000653116552 453304384 /nfs/dbraw/zinc/30/43/84/453304384.db2.gz LPPMCQLDABSUSN-IBGZPJMESA-N 3 2 346.519 1.636 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662586830 453314307 /nfs/dbraw/zinc/31/43/07/453314307.db2.gz OXHHGPKJNVEDHY-MJGOQNOKSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662586830 453314312 /nfs/dbraw/zinc/31/43/12/453314312.db2.gz OXHHGPKJNVEDHY-MJGOQNOKSA-N 2 2 349.519 1.868 20 0 EDADLP Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660468274 453329590 /nfs/dbraw/zinc/32/95/90/453329590.db2.gz CZXHHFHMSIZNTJ-OAHLLOKOSA-N 2 2 325.478 1.405 20 0 EDADLP Cc1csc(=O)n1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660468274 453329594 /nfs/dbraw/zinc/32/95/94/453329594.db2.gz CZXHHFHMSIZNTJ-OAHLLOKOSA-N 2 2 325.478 1.405 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471997 453332171 /nfs/dbraw/zinc/33/21/71/453332171.db2.gz GZJZCNFNSLQMHN-YESZJQIVSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471997 453332179 /nfs/dbraw/zinc/33/21/79/453332179.db2.gz GZJZCNFNSLQMHN-YESZJQIVSA-N 2 2 325.497 1.866 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000660483532 453339088 /nfs/dbraw/zinc/33/90/88/453339088.db2.gz HLMVXHDUOYEMIW-KSZLIROESA-N 2 2 325.497 1.140 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000660483532 453339098 /nfs/dbraw/zinc/33/90/98/453339098.db2.gz HLMVXHDUOYEMIW-KSZLIROESA-N 2 2 325.497 1.140 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000653155539 453346924 /nfs/dbraw/zinc/34/69/24/453346924.db2.gz YHMQUMFRVFAOEU-CQSZACIVSA-N 2 2 347.381 1.661 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000648870010 453347543 /nfs/dbraw/zinc/34/75/43/453347543.db2.gz OZNZHSJYVHLDKS-RDJZCZTQSA-N 2 2 348.491 1.966 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000648870010 453347549 /nfs/dbraw/zinc/34/75/49/453347549.db2.gz OZNZHSJYVHLDKS-RDJZCZTQSA-N 2 2 348.491 1.966 20 0 EDADLP [NH3+]CCCCC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000646398730 453366668 /nfs/dbraw/zinc/36/66/68/453366668.db2.gz GDAIXLWVJBQZSY-UHFFFAOYSA-N 2 2 339.867 1.992 20 0 EDADLP CC(C)(CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000664743633 453367980 /nfs/dbraw/zinc/36/79/80/453367980.db2.gz CHCQOYOJQQITMN-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)c3cc(C(C)(C)[NH3+])no3)sc2C1 ZINC000662660769 453373188 /nfs/dbraw/zinc/37/31/88/453373188.db2.gz GKEAMUJLSLUPTQ-UHFFFAOYSA-N 2 2 335.433 1.955 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)c3cc(C(C)(C)[NH3+])no3)sc2C1 ZINC000662660769 453373190 /nfs/dbraw/zinc/37/31/90/453373190.db2.gz GKEAMUJLSLUPTQ-UHFFFAOYSA-N 2 2 335.433 1.955 20 0 EDADLP C[C@@]1(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CC1(F)F ZINC000662667084 453379709 /nfs/dbraw/zinc/37/97/09/453379709.db2.gz WGVYGBMOSOJKHS-RDJZCZTQSA-N 2 2 348.397 1.963 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646443025 453388209 /nfs/dbraw/zinc/38/82/09/453388209.db2.gz BFAKJOBSDGSGSG-IAGOWNOFSA-N 2 2 341.415 1.203 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646443025 453388214 /nfs/dbraw/zinc/38/82/14/453388214.db2.gz BFAKJOBSDGSGSG-IAGOWNOFSA-N 2 2 341.415 1.203 20 0 EDADLP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000667083145 453394612 /nfs/dbraw/zinc/39/46/12/453394612.db2.gz NPNXDCKAZDUROR-MRXNPFEDSA-N 3 2 349.479 1.124 20 0 EDADLP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000667083145 453394624 /nfs/dbraw/zinc/39/46/24/453394624.db2.gz NPNXDCKAZDUROR-MRXNPFEDSA-N 3 2 349.479 1.124 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)[NH+]2CCOCC2)c1 ZINC000662680348 453400029 /nfs/dbraw/zinc/40/00/29/453400029.db2.gz YTBLCXTVHYHDRG-ZWKOTPCHSA-N 2 2 345.487 1.873 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)s1 ZINC000662714294 453437248 /nfs/dbraw/zinc/43/72/48/453437248.db2.gz YPEQQQWAMYXYFN-HZPDHXFCSA-N 2 2 337.489 1.319 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)COCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000646504135 453446581 /nfs/dbraw/zinc/44/65/81/453446581.db2.gz VSBAICRTBQXFGN-XJKSGUPXSA-N 2 2 345.365 1.331 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)COCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000646504135 453446586 /nfs/dbraw/zinc/44/65/86/453446586.db2.gz VSBAICRTBQXFGN-XJKSGUPXSA-N 2 2 345.365 1.331 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000662743349 453471615 /nfs/dbraw/zinc/47/16/15/453471615.db2.gz YIFJNDDCPCHKKD-ROUUACIJSA-N 2 2 330.476 1.046 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000662743349 453471621 /nfs/dbraw/zinc/47/16/21/453471621.db2.gz YIFJNDDCPCHKKD-ROUUACIJSA-N 2 2 330.476 1.046 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000664919009 453483048 /nfs/dbraw/zinc/48/30/48/453483048.db2.gz DJERVBZNCSMWKA-BZUAXINKSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000664919009 453483053 /nfs/dbraw/zinc/48/30/53/453483053.db2.gz DJERVBZNCSMWKA-BZUAXINKSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664919009 453483059 /nfs/dbraw/zinc/48/30/59/453483059.db2.gz DJERVBZNCSMWKA-BZUAXINKSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664919009 453483064 /nfs/dbraw/zinc/48/30/64/453483064.db2.gz DJERVBZNCSMWKA-BZUAXINKSA-N 2 2 328.501 1.515 20 0 EDADLP CC[C@@H](C)c1nc(C)c(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000655419070 453515319 /nfs/dbraw/zinc/51/53/19/453515319.db2.gz KYSKYMZCZAYJBL-DOMZBBRYSA-N 2 2 333.480 1.251 20 0 EDADLP CC[C@@H](C)c1nc(C)c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000655419070 453515326 /nfs/dbraw/zinc/51/53/26/453515326.db2.gz KYSKYMZCZAYJBL-DOMZBBRYSA-N 2 2 333.480 1.251 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655442984 453530876 /nfs/dbraw/zinc/53/08/76/453530876.db2.gz ISXAIHDFWRIXEN-HKUYNNGSSA-N 2 2 329.444 1.847 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000662798589 453533707 /nfs/dbraw/zinc/53/37/07/453533707.db2.gz DRLDZFGCSGLVEQ-WKILWMFISA-N 2 2 330.432 1.027 20 0 EDADLP C[C@H](c1cccc(NC(=O)NCC23CC(C2)C[NH2+]3)c1)[NH+]1CCOCC1 ZINC000658992217 453571161 /nfs/dbraw/zinc/57/11/61/453571161.db2.gz OJFQZIXOECPBAT-TZGCNFNXSA-N 2 2 344.459 1.953 20 0 EDADLP CN(C(=O)CNc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900716 453593354 /nfs/dbraw/zinc/59/33/54/453593354.db2.gz OPZSPBAQCFVEJX-SFHVURJKSA-N 2 2 330.476 1.725 20 0 EDADLP CN(C(=O)CNc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900716 453593358 /nfs/dbraw/zinc/59/33/58/453593358.db2.gz OPZSPBAQCFVEJX-SFHVURJKSA-N 2 2 330.476 1.725 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899814 453594034 /nfs/dbraw/zinc/59/40/34/453594034.db2.gz HDXOLMGCNSZIAR-IEBWSBKVSA-N 3 2 344.503 1.622 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899814 453594040 /nfs/dbraw/zinc/59/40/40/453594040.db2.gz HDXOLMGCNSZIAR-IEBWSBKVSA-N 3 2 344.503 1.622 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662901315 453595342 /nfs/dbraw/zinc/59/53/42/453595342.db2.gz VKHMYHAKDYELDF-RBUKOAKNSA-N 3 2 344.503 1.622 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662901315 453595345 /nfs/dbraw/zinc/59/53/45/453595345.db2.gz VKHMYHAKDYELDF-RBUKOAKNSA-N 3 2 344.503 1.622 20 0 EDADLP CN(C(=O)c1ccccc1CC[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901272 453596405 /nfs/dbraw/zinc/59/64/05/453596405.db2.gz VCDMRVMYVPTTCK-SFHVURJKSA-N 3 2 344.503 1.428 20 0 EDADLP CN(C(=O)c1ccccc1CC[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901272 453596408 /nfs/dbraw/zinc/59/64/08/453596408.db2.gz VCDMRVMYVPTTCK-SFHVURJKSA-N 3 2 344.503 1.428 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc1 ZINC000662912119 453599133 /nfs/dbraw/zinc/59/91/33/453599133.db2.gz ICJVIHJXSLNHKG-KZNAEPCWSA-N 2 2 343.471 1.754 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCCC2)CC[N@@H+]1C ZINC000660858964 453617670 /nfs/dbraw/zinc/61/76/70/453617670.db2.gz UAVXNCIVMXRLMC-ZBFHGGJFSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc[nH+]c2N2CCCC2)CC[N@H+]1C ZINC000660858964 453617674 /nfs/dbraw/zinc/61/76/74/453617674.db2.gz UAVXNCIVMXRLMC-ZBFHGGJFSA-N 2 2 331.464 1.964 20 0 EDADLP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291653 453638316 /nfs/dbraw/zinc/63/83/16/453638316.db2.gz HGKJMQLJQNBVBW-CJNGLKHVSA-N 2 2 327.432 1.251 20 0 EDADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000665298024 453640019 /nfs/dbraw/zinc/64/00/19/453640019.db2.gz QKIZWTLZLSIDIT-ZWNOBZJWSA-N 2 2 333.885 1.897 20 0 EDADLP COc1ccsc1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071383 453660989 /nfs/dbraw/zinc/66/09/89/453660989.db2.gz MQNLXVLUYVAJSJ-LBPRGKRZSA-N 2 2 349.522 1.307 20 0 EDADLP COc1ccsc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071383 453660991 /nfs/dbraw/zinc/66/09/91/453660991.db2.gz MQNLXVLUYVAJSJ-LBPRGKRZSA-N 2 2 349.522 1.307 20 0 EDADLP CN(C(=O)N[C@@H]1COC(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665405992 453682522 /nfs/dbraw/zinc/68/25/22/453682522.db2.gz PDWXLSYIIJZSNX-HOCLYGCPSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)N[C@@H]1COC(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665405992 453682524 /nfs/dbraw/zinc/68/25/24/453682524.db2.gz PDWXLSYIIJZSNX-HOCLYGCPSA-N 2 2 338.496 1.364 20 0 EDADLP O=S(=O)(CCC[NH2+]Cc1c[nH+]c2n1CCC2)Cc1ccccc1 ZINC000657318176 453765222 /nfs/dbraw/zinc/76/52/22/453765222.db2.gz MEJUKMVWWYWRME-UHFFFAOYSA-N 2 2 333.457 1.924 20 0 EDADLP Cc1cc(N2CCN(C(=O)C3([NH+](C)C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000665613486 453766498 /nfs/dbraw/zinc/76/64/98/453766498.db2.gz CHMUHOZAEBJRAX-UHFFFAOYSA-N 2 2 331.464 1.651 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657347607 453770583 /nfs/dbraw/zinc/77/05/83/453770583.db2.gz CTAOKVVQACQWOT-UHFFFAOYSA-N 3 2 342.491 1.631 20 0 EDADLP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657347607 453770590 /nfs/dbraw/zinc/77/05/90/453770590.db2.gz CTAOKVVQACQWOT-UHFFFAOYSA-N 3 2 342.491 1.631 20 0 EDADLP COCc1csc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000657357101 453773937 /nfs/dbraw/zinc/77/39/37/453773937.db2.gz XHOMRRDJNHUSBK-UHFFFAOYSA-N 2 2 325.478 1.537 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657359185 453774341 /nfs/dbraw/zinc/77/43/41/453774341.db2.gz SVTMAEOWFRHRTE-UHFFFAOYSA-N 2 2 334.468 1.035 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000663395045 453788266 /nfs/dbraw/zinc/78/82/66/453788266.db2.gz URCUMKJJKVBFJU-HNNXBMFYSA-N 2 2 332.448 1.936 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1c[nH]c2ccccc12 ZINC000663408876 453791230 /nfs/dbraw/zinc/79/12/30/453791230.db2.gz YLMVZKOZODEZQU-UHFFFAOYSA-N 2 2 345.491 1.893 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1c[nH]c2ccccc12 ZINC000663408876 453791232 /nfs/dbraw/zinc/79/12/32/453791232.db2.gz YLMVZKOZODEZQU-UHFFFAOYSA-N 2 2 345.491 1.893 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000671623767 486681627 /nfs/dbraw/zinc/68/16/27/486681627.db2.gz VCFHCENOMZEEIT-YUELXQCFSA-N 2 2 325.416 1.555 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000671623767 486681630 /nfs/dbraw/zinc/68/16/30/486681630.db2.gz VCFHCENOMZEEIT-YUELXQCFSA-N 2 2 325.416 1.555 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676250257 486709015 /nfs/dbraw/zinc/70/90/15/486709015.db2.gz GAKQLMPWVRZRQM-SZMVWBNQSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676250257 486709020 /nfs/dbraw/zinc/70/90/20/486709020.db2.gz GAKQLMPWVRZRQM-SZMVWBNQSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676250257 486709022 /nfs/dbraw/zinc/70/90/22/486709022.db2.gz GAKQLMPWVRZRQM-SZMVWBNQSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676250257 486709029 /nfs/dbraw/zinc/70/90/29/486709029.db2.gz GAKQLMPWVRZRQM-SZMVWBNQSA-N 2 2 346.475 1.279 20 0 EDADLP COc1cc2[nH+]c(N[C@H](C)[C@@H]3C[N@H+](C)CCO3)nc(N)c2cc1OC ZINC000676314277 486735700 /nfs/dbraw/zinc/73/57/00/486735700.db2.gz QMMXUVCUXKCOGZ-BMIGLBTASA-N 2 2 347.419 1.360 20 0 EDADLP COc1cc2[nH+]c(N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)nc(N)c2cc1OC ZINC000676314277 486735703 /nfs/dbraw/zinc/73/57/03/486735703.db2.gz QMMXUVCUXKCOGZ-BMIGLBTASA-N 2 2 347.419 1.360 20 0 EDADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680328852 486751311 /nfs/dbraw/zinc/75/13/11/486751311.db2.gz JPFOPYQCMTZWBQ-IAGOWNOFSA-N 2 2 332.473 1.965 20 0 EDADLP Cc1cnn(C)c1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000667438169 486782757 /nfs/dbraw/zinc/78/27/57/486782757.db2.gz FLBNFFFKWYQMNV-UHFFFAOYSA-N 2 2 348.495 1.800 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC3(F)F)C2)CC1 ZINC000672874888 486827037 /nfs/dbraw/zinc/82/70/37/486827037.db2.gz ZASNLEUOGOECKA-GXTWGEPZSA-N 2 2 330.423 1.642 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC3(F)F)C2)CC1 ZINC000672874888 486827040 /nfs/dbraw/zinc/82/70/40/486827040.db2.gz ZASNLEUOGOECKA-GXTWGEPZSA-N 2 2 330.423 1.642 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)C1 ZINC000676701251 486846897 /nfs/dbraw/zinc/84/68/97/486846897.db2.gz BKWCAHXZSILQGE-IRXDYDNUSA-N 2 2 331.460 1.538 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)C1 ZINC000676701251 486846899 /nfs/dbraw/zinc/84/68/99/486846899.db2.gz BKWCAHXZSILQGE-IRXDYDNUSA-N 2 2 331.460 1.538 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667564700 486849177 /nfs/dbraw/zinc/84/91/77/486849177.db2.gz WKPNQIZKFXZKLC-IAGOWNOFSA-N 2 2 331.508 1.820 20 0 EDADLP CN(C(=O)N[C@@H]1CCC(F)(F)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217450 486976772 /nfs/dbraw/zinc/97/67/72/486976772.db2.gz SCACJIMTWOVGIT-UKRRQHHQSA-N 2 2 344.450 1.984 20 0 EDADLP CN(C(=O)N[C@@H]1CCC(F)(F)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217450 486976777 /nfs/dbraw/zinc/97/67/77/486976777.db2.gz SCACJIMTWOVGIT-UKRRQHHQSA-N 2 2 344.450 1.984 20 0 EDADLP COC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681217358 486976915 /nfs/dbraw/zinc/97/69/15/486976915.db2.gz DEWGJWPNRHDGTD-IRXDYDNUSA-N 2 2 340.512 1.467 20 0 EDADLP COC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681217358 486976920 /nfs/dbraw/zinc/97/69/20/486976920.db2.gz DEWGJWPNRHDGTD-IRXDYDNUSA-N 2 2 340.512 1.467 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CC(C)(F)C2)([NH+]2CCCCC2)CC1 ZINC000684268930 487006806 /nfs/dbraw/zinc/00/68/06/487006806.db2.gz VYHYWHNHXAPEMY-UHFFFAOYSA-N 2 2 326.460 1.690 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@H](C)Cn3cc[nH+]c3)[nH+]c12 ZINC000673771511 487109580 /nfs/dbraw/zinc/10/95/80/487109580.db2.gz XIEDZVAQWOCWBD-CQSZACIVSA-N 2 2 326.404 1.770 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681646928 487118894 /nfs/dbraw/zinc/11/88/94/487118894.db2.gz IDWPREUSFBGNSA-MRXNPFEDSA-N 2 2 325.416 1.513 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CCSC1 ZINC000673982038 487176665 /nfs/dbraw/zinc/17/66/65/487176665.db2.gz JGRSBRHBKMRCBW-ZBFHGGJFSA-N 2 2 337.493 1.667 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1)C1CC[NH+](C)CC1 ZINC000681873854 487213439 /nfs/dbraw/zinc/21/34/39/487213439.db2.gz MRAMGERHXCAVGQ-QRTARXTBSA-N 2 2 349.479 1.670 20 0 EDADLP Cc1nc2ncnn2c(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000674262776 487225276 /nfs/dbraw/zinc/22/52/76/487225276.db2.gz BVUDYXJDEYJDSV-CQSZACIVSA-N 2 2 329.452 1.322 20 0 EDADLP Cc1nc2ncnn2c(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000674262776 487225280 /nfs/dbraw/zinc/22/52/80/487225280.db2.gz BVUDYXJDEYJDSV-CQSZACIVSA-N 2 2 329.452 1.322 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C ZINC000674287269 487228708 /nfs/dbraw/zinc/22/87/08/487228708.db2.gz IGMXINAOLDKLTK-SJORKVTESA-N 2 2 333.476 1.686 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000674313448 487234500 /nfs/dbraw/zinc/23/45/00/487234500.db2.gz GMIJSUZLQZCWCY-QFBILLFUSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000674313448 487234504 /nfs/dbraw/zinc/23/45/04/487234504.db2.gz GMIJSUZLQZCWCY-QFBILLFUSA-N 2 2 345.487 1.595 20 0 EDADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000685325048 487259903 /nfs/dbraw/zinc/25/99/03/487259903.db2.gz LYWRJRWUXIWGDG-UHFFFAOYSA-N 2 2 333.885 1.665 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3cccnc3)CC2)CC1 ZINC000678167554 487260549 /nfs/dbraw/zinc/26/05/49/487260549.db2.gz JICSNBXLDSKICN-MRXNPFEDSA-N 2 2 330.476 1.814 20 0 EDADLP C[C@@H]1C(=O)CC[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000681993474 487273953 /nfs/dbraw/zinc/27/39/53/487273953.db2.gz LBZOTDCWVFBMEI-BFYDXBDKSA-N 2 2 349.519 1.913 20 0 EDADLP C[C@@H]1C(=O)CC[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000681993474 487273958 /nfs/dbraw/zinc/27/39/58/487273958.db2.gz LBZOTDCWVFBMEI-BFYDXBDKSA-N 2 2 349.519 1.913 20 0 EDADLP CC(C)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000678685395 487352696 /nfs/dbraw/zinc/35/26/96/487352696.db2.gz PEEHLNXSIUPONT-KRWDZBQOSA-N 2 2 346.431 1.594 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)c2ccccc2O1 ZINC000682511739 487379302 /nfs/dbraw/zinc/37/93/02/487379302.db2.gz LEDGMEAJNURAMH-HUUCEWRRSA-N 2 2 340.427 1.801 20 0 EDADLP CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC000675235720 487392084 /nfs/dbraw/zinc/39/20/84/487392084.db2.gz UCZLCOQOZKTWGR-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC000675235720 487392086 /nfs/dbraw/zinc/39/20/86/487392086.db2.gz UCZLCOQOZKTWGR-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000675235720 487392088 /nfs/dbraw/zinc/39/20/88/487392088.db2.gz UCZLCOQOZKTWGR-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+](C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000675235720 487392090 /nfs/dbraw/zinc/39/20/90/487392090.db2.gz UCZLCOQOZKTWGR-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000679317165 487413665 /nfs/dbraw/zinc/41/36/65/487413665.db2.gz IIWXBPGBYBROBY-UHFFFAOYSA-N 2 2 325.478 1.338 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000679313029 487411941 /nfs/dbraw/zinc/41/19/41/487411941.db2.gz MAZYAQNGERNPBH-INIZCTEOSA-N 2 2 341.415 1.250 20 0 EDADLP c1cn(-c2cc(N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)ncn2)c[nH+]1 ZINC000675636545 487430912 /nfs/dbraw/zinc/43/09/12/487430912.db2.gz ZFTMNEXEUOAZTL-HUUCEWRRSA-N 2 2 328.420 1.718 20 0 EDADLP CCN(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000682996807 487440645 /nfs/dbraw/zinc/44/06/45/487440645.db2.gz PRKOZUSHHPKIBP-GOSISDBHSA-N 2 2 331.508 1.750 20 0 EDADLP CCN(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000682996807 487440648 /nfs/dbraw/zinc/44/06/48/487440648.db2.gz PRKOZUSHHPKIBP-GOSISDBHSA-N 2 2 331.508 1.750 20 0 EDADLP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886865 487456590 /nfs/dbraw/zinc/45/65/90/487456590.db2.gz WHJNTGAXYSJLDD-DNVCBOLYSA-N 2 2 333.451 1.809 20 0 EDADLP CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C12CCCCC2 ZINC000669520666 485487369 /nfs/dbraw/zinc/48/73/69/485487369.db2.gz TVELXRBPGQFMFZ-ARFHVFGLSA-N 2 2 338.496 1.399 20 0 EDADLP CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C12CCCCC2 ZINC000669520666 485487373 /nfs/dbraw/zinc/48/73/73/485487373.db2.gz TVELXRBPGQFMFZ-ARFHVFGLSA-N 2 2 338.496 1.399 20 0 EDADLP O=C(N1CC[NH+](Cc2ccccn2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000324283353 485528617 /nfs/dbraw/zinc/52/86/17/485528617.db2.gz PNGUVZLPXUWGSK-OAHLLOKOSA-N 2 2 342.365 1.268 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000669542994 485529101 /nfs/dbraw/zinc/52/91/01/485529101.db2.gz XXLPHPYKYMQKQT-OWCLPIDISA-N 2 2 329.448 1.301 20 0 EDADLP O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542898 485529124 /nfs/dbraw/zinc/52/91/24/485529124.db2.gz RADHEPZUJWQVGX-KRWDZBQOSA-N 2 2 337.427 1.763 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c[nH+]1 ZINC000669156637 485750832 /nfs/dbraw/zinc/75/08/32/485750832.db2.gz JHRVPMXFNJLDRH-UKRRQHHQSA-N 2 2 335.452 1.185 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1OC ZINC000668537953 485863853 /nfs/dbraw/zinc/86/38/53/485863853.db2.gz QUEDNMZPEGFXPY-UHFFFAOYSA-N 2 2 335.448 1.204 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1OC ZINC000668537953 485863860 /nfs/dbraw/zinc/86/38/60/485863860.db2.gz QUEDNMZPEGFXPY-UHFFFAOYSA-N 2 2 335.448 1.204 20 0 EDADLP O=c1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nc2ccc(Cl)cn12 ZINC000420383253 485939132 /nfs/dbraw/zinc/93/91/32/485939132.db2.gz SPXXQGVQTCZUAT-KRWDZBQOSA-N 2 2 332.835 1.923 20 0 EDADLP O=c1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nc2ccc(Cl)cn12 ZINC000420383253 485939140 /nfs/dbraw/zinc/93/91/40/485939140.db2.gz SPXXQGVQTCZUAT-KRWDZBQOSA-N 2 2 332.835 1.923 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000668608464 485943139 /nfs/dbraw/zinc/94/31/39/485943139.db2.gz FULVUAFXVQQYJA-MSOLQXFVSA-N 2 2 346.475 1.329 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000668608464 485943146 /nfs/dbraw/zinc/94/31/46/485943146.db2.gz FULVUAFXVQQYJA-MSOLQXFVSA-N 2 2 346.475 1.329 20 0 EDADLP COc1cc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000668618445 485959122 /nfs/dbraw/zinc/95/91/22/485959122.db2.gz RDQWKBVESXVSND-QGZVFWFLSA-N 2 2 346.475 1.260 20 0 EDADLP COc1cc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000668618445 485959130 /nfs/dbraw/zinc/95/91/30/485959130.db2.gz RDQWKBVESXVSND-QGZVFWFLSA-N 2 2 346.475 1.260 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(O)CCCC(C)(C)C3)C2)CC1 ZINC000668639948 485982536 /nfs/dbraw/zinc/98/25/36/485982536.db2.gz ODCBXSZODDOTQU-KXBFYZLASA-N 2 2 337.508 1.602 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(O)CCCC(C)(C)C3)C2)CC1 ZINC000668639948 485982542 /nfs/dbraw/zinc/98/25/42/485982542.db2.gz ODCBXSZODDOTQU-KXBFYZLASA-N 2 2 337.508 1.602 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C[NH3+])o3)c[nH+]2)C[C@@H](C)O1 ZINC000237442875 485983880 /nfs/dbraw/zinc/98/38/80/485983880.db2.gz WVTSBEUNRMJDHN-CHWSQXEVSA-N 2 2 344.415 1.677 20 0 EDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NCC[NH2+]C2CC2)c1 ZINC000238091794 486027363 /nfs/dbraw/zinc/02/73/63/486027363.db2.gz HFKLJPQAHIDJJD-UHFFFAOYSA-N 2 2 341.415 1.394 20 0 EDADLP CN(C)C(=O)c1ccccc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668738167 486106965 /nfs/dbraw/zinc/10/69/65/486106965.db2.gz BFXZTZBPQBXCFJ-KRWDZBQOSA-N 2 2 331.460 1.419 20 0 EDADLP CN(C)C(=O)c1ccccc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668738167 486106971 /nfs/dbraw/zinc/10/69/71/486106971.db2.gz BFXZTZBPQBXCFJ-KRWDZBQOSA-N 2 2 331.460 1.419 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000669413125 486118038 /nfs/dbraw/zinc/11/80/38/486118038.db2.gz XULWPLHZLHWPMI-WBMJQRKESA-N 2 2 347.394 1.269 20 0 EDADLP OC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000668755144 486155246 /nfs/dbraw/zinc/15/52/46/486155246.db2.gz PEOVXCKDRCLAEB-RHSMWYFYSA-N 2 2 326.387 1.841 20 0 EDADLP COCC1([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCCCC1 ZINC000668811798 486220838 /nfs/dbraw/zinc/22/08/38/486220838.db2.gz ZSJAHZXRQLUKSZ-UHFFFAOYSA-N 2 2 339.524 1.722 20 0 EDADLP COCC1([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCCCC1 ZINC000668811798 486220842 /nfs/dbraw/zinc/22/08/42/486220842.db2.gz ZSJAHZXRQLUKSZ-UHFFFAOYSA-N 2 2 339.524 1.722 20 0 EDADLP CN(C(=O)[C@H]1CCCCS1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679985308 486237806 /nfs/dbraw/zinc/23/78/06/486237806.db2.gz WSTYFYUSVGQSPM-JKSUJKDBSA-N 2 2 325.522 1.899 20 0 EDADLP CN(C(=O)[C@H]1CCCCS1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679985308 486237812 /nfs/dbraw/zinc/23/78/12/486237812.db2.gz WSTYFYUSVGQSPM-JKSUJKDBSA-N 2 2 325.522 1.899 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000669932166 486517585 /nfs/dbraw/zinc/51/75/85/486517585.db2.gz KHJLVNHXIPNYKN-IAGOWNOFSA-N 2 2 335.492 1.892 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000669932166 486517589 /nfs/dbraw/zinc/51/75/89/486517589.db2.gz KHJLVNHXIPNYKN-IAGOWNOFSA-N 2 2 335.492 1.892 20 0 EDADLP CC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H]1CCCCO1 ZINC000655847882 500737518 /nfs/dbraw/zinc/73/75/18/500737518.db2.gz DZQWITOZNHBIGL-OALUTQOASA-N 2 2 339.524 1.720 20 0 EDADLP CC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@@H]1CCCCO1 ZINC000655847882 500737521 /nfs/dbraw/zinc/73/75/21/500737521.db2.gz DZQWITOZNHBIGL-OALUTQOASA-N 2 2 339.524 1.720 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000344776843 534939539 /nfs/dbraw/zinc/93/95/39/534939539.db2.gz XZQORZSKAZPMHM-UHFFFAOYSA-N 2 2 335.496 1.642 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344776843 534939547 /nfs/dbraw/zinc/93/95/47/534939547.db2.gz XZQORZSKAZPMHM-UHFFFAOYSA-N 2 2 335.496 1.642 20 0 EDADLP CC(C)(C)OC1CC([NH2+]CCCCN2CC[NH+](CCO)CC2)C1 ZINC000352784187 534964928 /nfs/dbraw/zinc/96/49/28/534964928.db2.gz RLTNIJYKBXAART-UHFFFAOYSA-N 2 2 327.513 1.312 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000347273388 535124325 /nfs/dbraw/zinc/12/43/25/535124325.db2.gz LFINMAFLTGTHCX-CVEARBPZSA-N 2 2 349.479 1.527 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000347273388 535124328 /nfs/dbraw/zinc/12/43/28/535124328.db2.gz LFINMAFLTGTHCX-CVEARBPZSA-N 2 2 349.479 1.527 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000332465654 535354521 /nfs/dbraw/zinc/35/45/21/535354521.db2.gz KRMWKKXWWRQOFC-UHFFFAOYSA-N 2 2 346.479 1.491 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCO1 ZINC000333736928 535354587 /nfs/dbraw/zinc/35/45/87/535354587.db2.gz ILBGPNXZIKSGSR-JKSUJKDBSA-N 2 2 338.496 1.128 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCO1 ZINC000333736928 535354591 /nfs/dbraw/zinc/35/45/91/535354591.db2.gz ILBGPNXZIKSGSR-JKSUJKDBSA-N 2 2 338.496 1.128 20 0 EDADLP CC[C@@H](C(=O)OC)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352719073 535442753 /nfs/dbraw/zinc/44/27/53/535442753.db2.gz KORMKHXGQBBJDP-SFHVURJKSA-N 2 2 333.476 1.688 20 0 EDADLP CC[C@@H](C(=O)OC)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352719073 535442756 /nfs/dbraw/zinc/44/27/56/535442756.db2.gz KORMKHXGQBBJDP-SFHVURJKSA-N 2 2 333.476 1.688 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000262082747 535847898 /nfs/dbraw/zinc/84/78/98/535847898.db2.gz BHWVOOHVAZKDBP-CGTJXYLNSA-N 2 2 333.476 1.858 20 0 EDADLP Cn1ccc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)n1 ZINC000271212316 535916421 /nfs/dbraw/zinc/91/64/21/535916421.db2.gz YWMCPNMRVQIMLE-UHFFFAOYSA-N 2 2 343.475 1.683 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(=O)OC ZINC000347156685 535962292 /nfs/dbraw/zinc/96/22/92/535962292.db2.gz NQMBDUHIKOGUEF-LXZKKBNFSA-N 2 2 349.431 1.239 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(=O)OC ZINC000347156685 535962298 /nfs/dbraw/zinc/96/22/98/535962298.db2.gz NQMBDUHIKOGUEF-LXZKKBNFSA-N 2 2 349.431 1.239 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)C1CCOCC1 ZINC000333800099 536124850 /nfs/dbraw/zinc/12/48/50/536124850.db2.gz NYWNJUKZKAIISG-IJEWVQPXSA-N 2 2 349.479 1.763 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000248820975 536159010 /nfs/dbraw/zinc/15/90/10/536159010.db2.gz BNXXCSKSNMJUPH-CABCVRRESA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000248820975 536159014 /nfs/dbraw/zinc/15/90/14/536159014.db2.gz BNXXCSKSNMJUPH-CABCVRRESA-N 2 2 344.459 1.512 20 0 EDADLP COc1ccc(Br)c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000228725613 536628352 /nfs/dbraw/zinc/62/83/52/536628352.db2.gz WMANUYSUMDCHHE-CQSZACIVSA-N 2 2 331.254 1.860 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCCc2cn3ccccc3[nH+]2)[N@H+](C)C1 ZINC000346135488 536775346 /nfs/dbraw/zinc/77/53/46/536775346.db2.gz UHVZRPVFSVXNFW-JKSUJKDBSA-N 2 2 345.447 1.237 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCCc2cn3ccccc3[nH+]2)[N@@H+](C)C1 ZINC000346135488 536775350 /nfs/dbraw/zinc/77/53/50/536775350.db2.gz UHVZRPVFSVXNFW-JKSUJKDBSA-N 2 2 345.447 1.237 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cc[n+]([O-])cc2)([NH+]2CCCCC2)CC1 ZINC000742010633 579433054 /nfs/dbraw/zinc/43/30/54/579433054.db2.gz GWVYCETWSUMTFS-UHFFFAOYSA-N 2 2 332.448 1.000 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@H+]3CCC[C@H]3C)ccc2n1C ZINC000743979203 579496330 /nfs/dbraw/zinc/49/63/30/579496330.db2.gz DRFXTTBAIZNUCA-GFCCVEGCSA-N 2 2 343.431 1.421 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@@H+]3CCC[C@H]3C)ccc2n1C ZINC000743979203 579496331 /nfs/dbraw/zinc/49/63/31/579496331.db2.gz DRFXTTBAIZNUCA-GFCCVEGCSA-N 2 2 343.431 1.421 20 0 EDADLP CCn1cc(NC(=S)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000726131589 578334473 /nfs/dbraw/zinc/33/44/73/578334473.db2.gz JSCIFRDVQOJBID-UHFFFAOYSA-N 2 2 338.525 1.558 20 0 EDADLP CCn1cc(NC(=S)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000726131589 578334474 /nfs/dbraw/zinc/33/44/74/578334474.db2.gz JSCIFRDVQOJBID-UHFFFAOYSA-N 2 2 338.525 1.558 20 0 EDADLP CCOC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000727932154 578541298 /nfs/dbraw/zinc/54/12/98/578541298.db2.gz WHAZECFIWPTTAQ-SFHVURJKSA-N 2 2 349.475 1.644 20 0 EDADLP CCOC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000727932154 578541299 /nfs/dbraw/zinc/54/12/99/578541299.db2.gz WHAZECFIWPTTAQ-SFHVURJKSA-N 2 2 349.475 1.644 20 0 EDADLP CCOC(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000727932154 578541300 /nfs/dbraw/zinc/54/13/00/578541300.db2.gz WHAZECFIWPTTAQ-SFHVURJKSA-N 2 2 349.475 1.644 20 0 EDADLP CCOC(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000727932154 578541301 /nfs/dbraw/zinc/54/13/01/578541301.db2.gz WHAZECFIWPTTAQ-SFHVURJKSA-N 2 2 349.475 1.644 20 0 EDADLP C[NH+]1CCC(CNC(=S)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000760467652 580031428 /nfs/dbraw/zinc/03/14/28/580031428.db2.gz XXKSOUKAUWORLA-UHFFFAOYSA-N 2 2 347.532 1.988 20 0 EDADLP COc1ccc(/C=C/C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732779262 578727655 /nfs/dbraw/zinc/72/76/55/578727655.db2.gz CKSSSYDGEOBKIU-JZLODUJNSA-N 2 2 343.471 1.993 20 0 EDADLP COc1ccc(/C=C/C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732779262 578727657 /nfs/dbraw/zinc/72/76/57/578727657.db2.gz CKSSSYDGEOBKIU-JZLODUJNSA-N 2 2 343.471 1.993 20 0 EDADLP Cc1cc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)nc(N)[nH+]1 ZINC000733189526 578751244 /nfs/dbraw/zinc/75/12/44/578751244.db2.gz QBGQLVBMIVKFKN-UHFFFAOYSA-N 2 2 346.479 1.504 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)[C@H]4CCCCCN4C3=O)CC2)CC1 ZINC000761185743 580050757 /nfs/dbraw/zinc/05/07/57/580050757.db2.gz QQSJSBGUQLSATE-QGZVFWFLSA-N 2 2 348.491 1.752 20 0 EDADLP C[NH+]1CCC([NH+]2CCC([NH2+]C[C@@H]3CCCN(C(=O)[O-])C3)CC2)CC1 ZINC000739726190 579241722 /nfs/dbraw/zinc/24/17/22/579241722.db2.gz BADPTWKLCFCOIY-HNNXBMFYSA-N 2 2 338.496 1.525 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000744452664 579511160 /nfs/dbraw/zinc/51/11/60/579511160.db2.gz NRVOCFUBJZCOMA-OAHLLOKOSA-N 2 2 347.463 1.059 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000745789932 579562474 /nfs/dbraw/zinc/56/24/74/579562474.db2.gz VOGNDRBJBZBJPW-UKRRQHHQSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000745789932 579562475 /nfs/dbraw/zinc/56/24/75/579562475.db2.gz VOGNDRBJBZBJPW-UKRRQHHQSA-N 2 2 328.420 1.549 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](C4CCCCC4)C3=O)C2)CC1 ZINC000777652809 580447623 /nfs/dbraw/zinc/44/76/23/580447623.db2.gz POMVKIBVQMBXAL-DLBZAZTESA-N 2 2 348.491 1.656 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](C4CCCCC4)C3=O)C2)CC1 ZINC000777652809 580447624 /nfs/dbraw/zinc/44/76/24/580447624.db2.gz POMVKIBVQMBXAL-DLBZAZTESA-N 2 2 348.491 1.656 20 0 EDADLP Cc1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(N(C)C)[nH+]1 ZINC000750389856 579761567 /nfs/dbraw/zinc/76/15/67/579761567.db2.gz LVZVRIMJFKTCJJ-HNNXBMFYSA-N 2 2 347.463 1.785 20 0 EDADLP CC[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000754245663 579899240 /nfs/dbraw/zinc/89/92/40/579899240.db2.gz FEUXWLJPYNXHBP-LJQANCHMSA-N 2 2 347.503 1.815 20 0 EDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2I)C1 ZINC000762568294 580077797 /nfs/dbraw/zinc/07/77/97/580077797.db2.gz LDUPXZJOVKJBGG-ZDUSSCGKSA-N 2 2 346.212 1.447 20 0 EDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccccc2I)C1 ZINC000762568294 580077798 /nfs/dbraw/zinc/07/77/98/580077798.db2.gz LDUPXZJOVKJBGG-ZDUSSCGKSA-N 2 2 346.212 1.447 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)OCCOC(=O)[C@H]1CCCC[N@H+]1CC ZINC000763692917 580104331 /nfs/dbraw/zinc/10/43/31/580104331.db2.gz QKBVSNCJDCTCAQ-HZPDHXFCSA-N 2 2 340.464 1.822 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)OCCOC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000763692917 580104332 /nfs/dbraw/zinc/10/43/32/580104332.db2.gz QKBVSNCJDCTCAQ-HZPDHXFCSA-N 2 2 340.464 1.822 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000764929100 580131441 /nfs/dbraw/zinc/13/14/41/580131441.db2.gz JGFCFIMDRPOYOE-ZDUSSCGKSA-N 2 2 326.535 1.863 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccnc1Cl ZINC000766023961 580156888 /nfs/dbraw/zinc/15/68/88/580156888.db2.gz SNJDZHPQVBQLON-HUUCEWRRSA-N 2 2 338.883 1.792 20 0 EDADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000768100805 580207182 /nfs/dbraw/zinc/20/71/82/580207182.db2.gz YKGOSKXUGUUAJB-KRWDZBQOSA-N 2 2 331.460 1.826 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000768499564 580214831 /nfs/dbraw/zinc/21/48/31/580214831.db2.gz BBSFYCUWVPUYON-SOLBZPMBSA-N 2 2 328.460 1.771 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000768499564 580214832 /nfs/dbraw/zinc/21/48/32/580214832.db2.gz BBSFYCUWVPUYON-SOLBZPMBSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000768499564 580214833 /nfs/dbraw/zinc/21/48/33/580214833.db2.gz BBSFYCUWVPUYON-SOLBZPMBSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000768499564 580214834 /nfs/dbraw/zinc/21/48/34/580214834.db2.gz BBSFYCUWVPUYON-SOLBZPMBSA-N 2 2 328.460 1.771 20 0 EDADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000774562805 580365734 /nfs/dbraw/zinc/36/57/34/580365734.db2.gz YVWZNLNKFSOIBC-PBHICJAKSA-N 2 2 334.420 1.279 20 0 EDADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000774562805 580365735 /nfs/dbraw/zinc/36/57/35/580365735.db2.gz YVWZNLNKFSOIBC-PBHICJAKSA-N 2 2 334.420 1.279 20 0 EDADLP Cc1cc(Br)cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000774973016 580379478 /nfs/dbraw/zinc/37/94/78/580379478.db2.gz HWIZEJMNMGYISJ-UHFFFAOYSA-N 2 2 340.265 1.621 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000776042383 580406756 /nfs/dbraw/zinc/40/67/56/580406756.db2.gz SSKJAQMCWNLNSS-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000776042383 580406757 /nfs/dbraw/zinc/40/67/57/580406757.db2.gz SSKJAQMCWNLNSS-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000776042383 580406758 /nfs/dbraw/zinc/40/67/58/580406758.db2.gz SSKJAQMCWNLNSS-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000776042383 580406759 /nfs/dbraw/zinc/40/67/59/580406759.db2.gz SSKJAQMCWNLNSS-SJORKVTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)CCN(C)c3cc[nH+]cc3)CC2)S1 ZINC000779484490 580486949 /nfs/dbraw/zinc/48/69/49/580486949.db2.gz IPEJRWDMTQZLCN-AWEZNQCLSA-N 2 2 347.488 1.543 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000783984700 580610240 /nfs/dbraw/zinc/61/02/40/580610240.db2.gz OJKRGPPQMOOFIW-DLBZAZTESA-N 2 2 345.491 1.644 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000783993278 580610921 /nfs/dbraw/zinc/61/09/21/580610921.db2.gz FZVSDDBNWSVQJP-OAGGEKHMSA-N 2 2 331.464 1.110 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000783993278 580610922 /nfs/dbraw/zinc/61/09/22/580610922.db2.gz FZVSDDBNWSVQJP-OAGGEKHMSA-N 2 2 331.464 1.110 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)nn2C)CCCO1 ZINC000785520727 580646500 /nfs/dbraw/zinc/64/65/00/580646500.db2.gz MQWPHXOMUFIBOO-GFCCVEGCSA-N 2 2 345.285 1.773 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)nn2C)CCCO1 ZINC000785520727 580646501 /nfs/dbraw/zinc/64/65/01/580646501.db2.gz MQWPHXOMUFIBOO-GFCCVEGCSA-N 2 2 345.285 1.773 20 0 EDADLP O=C1C[C@@H](C(F)F)CN1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000795430554 580922464 /nfs/dbraw/zinc/92/24/64/580922464.db2.gz ZXOUBYIRFCIQIR-OAHLLOKOSA-N 2 2 345.434 1.492 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CN2C[C@H](C(F)F)CC2=O)C1 ZINC000795435486 580922739 /nfs/dbraw/zinc/92/27/39/580922739.db2.gz SJXHVYPAVTYHNW-KGLIPLIRSA-N 2 2 333.423 1.490 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CN2C[C@H](C(F)F)CC2=O)C1 ZINC000795435486 580922740 /nfs/dbraw/zinc/92/27/40/580922740.db2.gz SJXHVYPAVTYHNW-KGLIPLIRSA-N 2 2 333.423 1.490 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461271 580954543 /nfs/dbraw/zinc/95/45/43/580954543.db2.gz MLFMNELNNRUVIZ-PBWFPOADSA-N 2 2 343.431 1.764 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461271 580954544 /nfs/dbraw/zinc/95/45/44/580954544.db2.gz MLFMNELNNRUVIZ-PBWFPOADSA-N 2 2 343.431 1.764 20 0 EDADLP C[NH+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796461271 580954545 /nfs/dbraw/zinc/95/45/45/580954545.db2.gz MLFMNELNNRUVIZ-PBWFPOADSA-N 2 2 343.431 1.764 20 0 EDADLP C[NH+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796461271 580954546 /nfs/dbraw/zinc/95/45/46/580954546.db2.gz MLFMNELNNRUVIZ-PBWFPOADSA-N 2 2 343.431 1.764 20 0 EDADLP C[C@@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)[NH+](C)C ZINC000796741425 580960907 /nfs/dbraw/zinc/96/09/07/580960907.db2.gz DKUWTGRIMVKNJA-ZQDZILKHSA-N 2 2 329.485 1.844 20 0 EDADLP Cc1cc[nH+]cc1N1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000799189661 581021849 /nfs/dbraw/zinc/02/18/49/581021849.db2.gz SROQHQFINZFWEI-UHFFFAOYSA-N 2 2 330.354 1.581 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2c3c(nn2C)CCC3)CC1 ZINC000891844449 590652507 /nfs/dbraw/zinc/65/25/07/590652507.db2.gz DXUYYTKYCXYMPI-IRXDYDNUSA-N 2 2 345.535 1.899 20 0 EDADLP C[C@H](CCCO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893164870 590692043 /nfs/dbraw/zinc/69/20/43/590692043.db2.gz VVXTXSCHSSPKKX-CQSZACIVSA-N 2 2 329.485 1.726 20 0 EDADLP Cc1cc(F)ncc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000891949264 590701971 /nfs/dbraw/zinc/70/19/71/590701971.db2.gz ODNIWAICGIKIJS-UHFFFAOYSA-N 2 2 348.466 1.905 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000892017016 590748839 /nfs/dbraw/zinc/74/88/39/590748839.db2.gz PEIAPZOXMAGZBR-QZTJIDSGSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000892017016 590748845 /nfs/dbraw/zinc/74/88/45/590748845.db2.gz PEIAPZOXMAGZBR-QZTJIDSGSA-N 2 2 346.475 1.247 20 0 EDADLP OCc1c[nH+]ccc1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000892082969 590788831 /nfs/dbraw/zinc/78/88/31/590788831.db2.gz JHLCDCCMGKHEKR-UHFFFAOYSA-N 2 2 343.427 1.319 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N(C)[C@@H]3CCC[N@H+](C)C3)[nH+]c12 ZINC000893379719 590821603 /nfs/dbraw/zinc/82/16/03/590821603.db2.gz LKSIBOYQXXDVNZ-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)[nH+]c12 ZINC000893379719 590821606 /nfs/dbraw/zinc/82/16/06/590821606.db2.gz LKSIBOYQXXDVNZ-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892169484 590842693 /nfs/dbraw/zinc/84/26/93/590842693.db2.gz ZRLQLABEBVTGMV-IAGOWNOFSA-N 2 2 343.431 1.302 20 0 EDADLP CN1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC[N@H+](C)CC1 ZINC000888980479 590900435 /nfs/dbraw/zinc/90/04/35/590900435.db2.gz DKEJGWBWKVLMEW-ZDUSSCGKSA-N 2 2 347.385 1.082 20 0 EDADLP CN1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC[N@@H+](C)CC1 ZINC000888980479 590900439 /nfs/dbraw/zinc/90/04/39/590900439.db2.gz DKEJGWBWKVLMEW-ZDUSSCGKSA-N 2 2 347.385 1.082 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892279869 590910009 /nfs/dbraw/zinc/91/00/09/590910009.db2.gz DYRYJYOAKOIGNM-LSDHHAIUSA-N 2 2 349.504 1.575 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2cn(C)c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000893627429 591018592 /nfs/dbraw/zinc/01/85/92/591018592.db2.gz OHRYCQRJIKLOHC-GOEBONIOSA-N 2 2 327.432 1.882 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2cn(C)c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000893627429 591018597 /nfs/dbraw/zinc/01/85/97/591018597.db2.gz OHRYCQRJIKLOHC-GOEBONIOSA-N 2 2 327.432 1.882 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000892489851 591046579 /nfs/dbraw/zinc/04/65/79/591046579.db2.gz MVUIMIWFZAVFKM-HZPDHXFCSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH2+][C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000892514019 591055058 /nfs/dbraw/zinc/05/50/58/591055058.db2.gz SBIHVYJKYYDLCA-HNNXBMFYSA-N 2 2 349.504 1.528 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CCN(C)CC[N@H+](C)CC2)c1C ZINC000892517208 591056249 /nfs/dbraw/zinc/05/62/49/591056249.db2.gz DJJVSXBRQXOTPT-UHFFFAOYSA-N 2 2 349.479 1.096 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)c1C ZINC000892517208 591056255 /nfs/dbraw/zinc/05/62/55/591056255.db2.gz DJJVSXBRQXOTPT-UHFFFAOYSA-N 2 2 349.479 1.096 20 0 EDADLP CCn1cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c(C)n1 ZINC000892538639 591065386 /nfs/dbraw/zinc/06/53/86/591065386.db2.gz VNDXVASLFJAAHN-UHFFFAOYSA-N 2 2 343.479 1.303 20 0 EDADLP COCC[N@H+](C)CCC[NH2+]Cc1ncc(Br)cc1O ZINC000892559566 591071962 /nfs/dbraw/zinc/07/19/62/591071962.db2.gz OJVWLENAQMBXHS-UHFFFAOYSA-N 2 2 332.242 1.608 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+]Cc1ncc(Br)cc1O ZINC000892559566 591071966 /nfs/dbraw/zinc/07/19/66/591071966.db2.gz OJVWLENAQMBXHS-UHFFFAOYSA-N 2 2 332.242 1.608 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)NCCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000891427807 591073213 /nfs/dbraw/zinc/07/32/13/591073213.db2.gz XVLWMNDFDUJJCD-MSOLQXFVSA-N 2 2 341.459 1.918 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)NCCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000891427807 591073219 /nfs/dbraw/zinc/07/32/19/591073219.db2.gz XVLWMNDFDUJJCD-MSOLQXFVSA-N 2 2 341.459 1.918 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000892563295 591073927 /nfs/dbraw/zinc/07/39/27/591073927.db2.gz QLBZKSBYHSSQTH-AWEZNQCLSA-N 2 2 328.420 1.408 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000892563295 591073930 /nfs/dbraw/zinc/07/39/30/591073930.db2.gz QLBZKSBYHSSQTH-AWEZNQCLSA-N 2 2 328.420 1.408 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])C2)cc1 ZINC000892611214 591094687 /nfs/dbraw/zinc/09/46/87/591094687.db2.gz LHBQDNYYTWUGMB-QGZVFWFLSA-N 2 2 348.491 1.575 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])C2)cc1 ZINC000892611214 591094693 /nfs/dbraw/zinc/09/46/93/591094693.db2.gz LHBQDNYYTWUGMB-QGZVFWFLSA-N 2 2 348.491 1.575 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000892616988 591098446 /nfs/dbraw/zinc/09/84/46/591098446.db2.gz ZDSRBQZRAIVQQG-HPBDAGMYSA-N 2 2 328.460 1.942 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000892616988 591098451 /nfs/dbraw/zinc/09/84/51/591098451.db2.gz ZDSRBQZRAIVQQG-HPBDAGMYSA-N 2 2 328.460 1.942 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](c2ccncc2)C2CC2)CC1 ZINC000893865561 591119819 /nfs/dbraw/zinc/11/98/19/591119819.db2.gz GPXKNHGPFNLCFB-GOSISDBHSA-N 2 2 345.491 1.858 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(N)cc(F)c3)C2)CC1 ZINC000891560797 591125706 /nfs/dbraw/zinc/12/57/06/591125706.db2.gz PLQQZVDWWZXDMX-MRXNPFEDSA-N 2 2 349.454 1.376 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cc(N)cc(F)c3)C2)CC1 ZINC000891560797 591125710 /nfs/dbraw/zinc/12/57/10/591125710.db2.gz PLQQZVDWWZXDMX-MRXNPFEDSA-N 2 2 349.454 1.376 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[NH+](Cc3ccco3)CC2)nc[nH+]1 ZINC000891611994 591150126 /nfs/dbraw/zinc/15/01/26/591150126.db2.gz GLBJTDAXHDASOH-CQSZACIVSA-N 2 2 331.420 1.575 20 0 EDADLP CC(C)c1nnc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000892793428 591177994 /nfs/dbraw/zinc/17/79/94/591177994.db2.gz MNTFJMNYDACGFQ-CYBMUJFWSA-N 2 2 339.509 1.694 20 0 EDADLP CC(C)c1nnc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC000892793428 591177996 /nfs/dbraw/zinc/17/79/96/591177996.db2.gz MNTFJMNYDACGFQ-CYBMUJFWSA-N 2 2 339.509 1.694 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000892819915 591191344 /nfs/dbraw/zinc/19/13/44/591191344.db2.gz TXTWSGNPBDNVCB-GJZGRUSLSA-N 2 2 343.431 1.305 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000892819915 591191348 /nfs/dbraw/zinc/19/13/48/591191348.db2.gz TXTWSGNPBDNVCB-GJZGRUSLSA-N 2 2 343.431 1.305 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000891741761 591206683 /nfs/dbraw/zinc/20/66/83/591206683.db2.gz RZDMCQDAQWNTSS-HNNXBMFYSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000891741761 591206684 /nfs/dbraw/zinc/20/66/84/591206684.db2.gz RZDMCQDAQWNTSS-HNNXBMFYSA-N 2 2 331.464 1.965 20 0 EDADLP CN(C)c1cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)nc[nH+]1 ZINC000894204889 591227075 /nfs/dbraw/zinc/22/70/75/591227075.db2.gz FPXDRVKEPVVXPU-UHFFFAOYSA-N 2 2 341.459 1.982 20 0 EDADLP CN(C)c1cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)[nH+]cn1 ZINC000894204889 591227079 /nfs/dbraw/zinc/22/70/79/591227079.db2.gz FPXDRVKEPVVXPU-UHFFFAOYSA-N 2 2 341.459 1.982 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)nc2)CC1 ZINC000895745558 591263674 /nfs/dbraw/zinc/26/36/74/591263674.db2.gz BVELATOISVFZNT-HNNXBMFYSA-N 2 2 331.464 1.645 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+]3C(C)(C)C)nc2)CC1 ZINC000895745558 591263675 /nfs/dbraw/zinc/26/36/75/591263675.db2.gz BVELATOISVFZNT-HNNXBMFYSA-N 2 2 331.464 1.645 20 0 EDADLP COc1nccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000894459261 591317661 /nfs/dbraw/zinc/31/76/61/591317661.db2.gz GGXWQABUXNLHDC-MRXNPFEDSA-N 2 2 336.455 1.830 20 0 EDADLP COc1nccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000894459261 591317662 /nfs/dbraw/zinc/31/76/62/591317662.db2.gz GGXWQABUXNLHDC-MRXNPFEDSA-N 2 2 336.455 1.830 20 0 EDADLP CN(Cc1cnc2n1CCOC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000894459877 591318630 /nfs/dbraw/zinc/31/86/30/591318630.db2.gz QVCBFJLGOVGQDY-MRXNPFEDSA-N 2 2 333.480 1.014 20 0 EDADLP CN(Cc1cnc2n1CCOC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000894459877 591318631 /nfs/dbraw/zinc/31/86/31/591318631.db2.gz QVCBFJLGOVGQDY-MRXNPFEDSA-N 2 2 333.480 1.014 20 0 EDADLP C[N@H+](Cc1cnc2n1CCOC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459877 591318633 /nfs/dbraw/zinc/31/86/33/591318633.db2.gz QVCBFJLGOVGQDY-MRXNPFEDSA-N 2 2 333.480 1.014 20 0 EDADLP C[N@@H+](Cc1cnc2n1CCOC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894459877 591318635 /nfs/dbraw/zinc/31/86/35/591318635.db2.gz QVCBFJLGOVGQDY-MRXNPFEDSA-N 2 2 333.480 1.014 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)[nH]n1 ZINC000898438683 591348989 /nfs/dbraw/zinc/34/89/89/591348989.db2.gz IEEAVMCSOKOMRB-IAOVAPTHSA-N 2 2 331.464 1.923 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)[nH]n1 ZINC000898438683 591348991 /nfs/dbraw/zinc/34/89/91/591348991.db2.gz IEEAVMCSOKOMRB-IAOVAPTHSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]n1 ZINC000898438683 591348993 /nfs/dbraw/zinc/34/89/93/591348993.db2.gz IEEAVMCSOKOMRB-IAOVAPTHSA-N 2 2 331.464 1.923 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)[nH]n1 ZINC000898438683 591348995 /nfs/dbraw/zinc/34/89/95/591348995.db2.gz IEEAVMCSOKOMRB-IAOVAPTHSA-N 2 2 331.464 1.923 20 0 EDADLP O=C(N[C@H]1CCC[N@@H+](CCF)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000898502624 591389088 /nfs/dbraw/zinc/38/90/88/591389088.db2.gz OUWWBVIGMXOBKW-JKSUJKDBSA-N 2 2 343.512 1.754 20 0 EDADLP O=C(N[C@H]1CCC[N@H+](CCF)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000898502624 591389093 /nfs/dbraw/zinc/38/90/93/591389093.db2.gz OUWWBVIGMXOBKW-JKSUJKDBSA-N 2 2 343.512 1.754 20 0 EDADLP CNC(=O)C[C@@H](C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894750193 591407188 /nfs/dbraw/zinc/40/71/88/591407188.db2.gz HFZMZZRBORVPFX-CYBMUJFWSA-N 2 2 342.484 1.090 20 0 EDADLP CC1(C)CC[N@H+](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000898597180 591430382 /nfs/dbraw/zinc/43/03/82/591430382.db2.gz DSVLNABOQIKRQK-UHFFFAOYSA-N 2 2 331.464 1.645 20 0 EDADLP CC1(C)CC[N@@H+](CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000898597180 591430384 /nfs/dbraw/zinc/43/03/84/591430384.db2.gz DSVLNABOQIKRQK-UHFFFAOYSA-N 2 2 331.464 1.645 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c[nH+]1 ZINC000896389867 591447263 /nfs/dbraw/zinc/44/72/63/591447263.db2.gz JKLWXPHIKNEGST-INIZCTEOSA-N 2 2 333.480 1.165 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c[nH+]1 ZINC000896389867 591447267 /nfs/dbraw/zinc/44/72/67/591447267.db2.gz JKLWXPHIKNEGST-INIZCTEOSA-N 2 2 333.480 1.165 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@]2(OC)CCSC2)CC1 ZINC000896573620 591533814 /nfs/dbraw/zinc/53/38/14/591533814.db2.gz MVDDXZYRDKPEPA-MRXNPFEDSA-N 2 2 330.494 1.516 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897554027 591550995 /nfs/dbraw/zinc/55/09/95/591550995.db2.gz KQCCKPULMJCUFZ-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897554027 591550998 /nfs/dbraw/zinc/55/09/98/591550998.db2.gz KQCCKPULMJCUFZ-HZPDHXFCSA-N 2 2 326.485 1.080 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](CCOC(C)C)CC2)c[nH+]1 ZINC000896827270 591622384 /nfs/dbraw/zinc/62/23/84/591622384.db2.gz LNESWUYGEYKMRM-UHFFFAOYSA-N 2 2 336.480 1.932 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000897878190 591703653 /nfs/dbraw/zinc/70/36/53/591703653.db2.gz YWLXETXROHYBEH-KBPBESRZSA-N 2 2 327.469 1.153 20 0 EDADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000897878190 591703656 /nfs/dbraw/zinc/70/36/56/591703656.db2.gz YWLXETXROHYBEH-KBPBESRZSA-N 2 2 327.469 1.153 20 0 EDADLP CCc1[nH]c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C(=O)OC ZINC000895353570 591725961 /nfs/dbraw/zinc/72/59/61/591725961.db2.gz VTGOGYXWRJEQEE-HNNXBMFYSA-N 2 2 337.464 1.906 20 0 EDADLP CCc1[nH]c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C(=O)OC ZINC000895353570 591725963 /nfs/dbraw/zinc/72/59/63/591725963.db2.gz VTGOGYXWRJEQEE-HNNXBMFYSA-N 2 2 337.464 1.906 20 0 EDADLP O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000899232071 591738401 /nfs/dbraw/zinc/73/84/01/591738401.db2.gz KZFUSEUYRQVJNK-ROUUACIJSA-N 2 2 340.427 1.461 20 0 EDADLP CO[C@H]1C[C@H]2C[N@H+](Cc3c(C)cc[nH+]c3N)Cc3cccnc3N2C1 ZINC000895439430 591758438 /nfs/dbraw/zinc/75/84/38/591758438.db2.gz AYLGFSJBVOEPPY-HOTGVXAUSA-N 2 2 339.443 1.977 20 0 EDADLP CO[C@H]1C[C@H]2C[N@@H+](Cc3c(C)cc[nH+]c3N)Cc3cccnc3N2C1 ZINC000895439430 591758441 /nfs/dbraw/zinc/75/84/41/591758441.db2.gz AYLGFSJBVOEPPY-HOTGVXAUSA-N 2 2 339.443 1.977 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCc3cc(N(C)C)cc[nH+]3)[nH+]cn2)C1 ZINC000895471625 591773028 /nfs/dbraw/zinc/77/30/28/591773028.db2.gz VCZUJZMJWYTSSA-ZIAGYGMSSA-N 2 2 342.447 1.757 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCc3cc(N(C)C)cc[nH+]3)nc[nH+]2)C1 ZINC000895471625 591773031 /nfs/dbraw/zinc/77/30/31/591773031.db2.gz VCZUJZMJWYTSSA-ZIAGYGMSSA-N 2 2 342.447 1.757 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897219963 591774330 /nfs/dbraw/zinc/77/43/30/591774330.db2.gz QUDGJGJMSPULQJ-CABCVRRESA-N 2 2 332.448 1.706 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897219963 591774334 /nfs/dbraw/zinc/77/43/34/591774334.db2.gz QUDGJGJMSPULQJ-CABCVRRESA-N 2 2 332.448 1.706 20 0 EDADLP Cc1cc[nH+]c(N)c1CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000895552259 591798585 /nfs/dbraw/zinc/79/85/85/591798585.db2.gz MHIMTDNMZKKOEP-UHFFFAOYSA-N 2 2 331.464 1.278 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000898208059 591818822 /nfs/dbraw/zinc/81/88/22/591818822.db2.gz XLNDPVGVPFVBSZ-LSDHHAIUSA-N 2 2 334.464 1.622 20 0 EDADLP O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2)c1Cl ZINC000898368444 591894261 /nfs/dbraw/zinc/89/42/61/591894261.db2.gz ZJXUPEMGNZNDNT-NSHDSACASA-N 2 2 344.806 1.852 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)C1(O)CCOCC1 ZINC000899861213 591963478 /nfs/dbraw/zinc/96/34/78/591963478.db2.gz XKSJRWBHYSCSQP-HOCLYGCPSA-N 2 2 340.489 1.377 20 0 EDADLP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000900289532 591973661 /nfs/dbraw/zinc/97/36/61/591973661.db2.gz UBXGDOSUFYGYEQ-IBGZPJMESA-N 2 2 347.459 1.304 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000900289532 591973662 /nfs/dbraw/zinc/97/36/62/591973662.db2.gz UBXGDOSUFYGYEQ-IBGZPJMESA-N 2 2 347.459 1.304 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000902337722 591980683 /nfs/dbraw/zinc/98/06/83/591980683.db2.gz SAESZTBUTIUSFS-QGZVFWFLSA-N 3 2 346.523 1.357 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000902358792 591986453 /nfs/dbraw/zinc/98/64/53/591986453.db2.gz DDYQZUWNICZJCB-QUCCMNQESA-N 3 2 331.504 1.991 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000902358792 591986454 /nfs/dbraw/zinc/98/64/54/591986454.db2.gz DDYQZUWNICZJCB-QUCCMNQESA-N 3 2 331.504 1.991 20 0 EDADLP Cc1ccn2cc(CNC(=O)c3ccnn3CC[NH+](C)C)[nH+]c2c1 ZINC000900322239 591990858 /nfs/dbraw/zinc/99/08/58/591990858.db2.gz IJJZHFNOTDWHCW-UHFFFAOYSA-N 2 2 326.404 1.331 20 0 EDADLP C/C(=C\C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900352215 591992684 /nfs/dbraw/zinc/99/26/84/591992684.db2.gz CXICDNRBQZBZJU-MPRSVLFKSA-N 2 2 337.508 1.748 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902442506 591996502 /nfs/dbraw/zinc/99/65/02/591996502.db2.gz IVMOHKGKOFOOKK-DZGCQCFKSA-N 2 2 339.480 1.154 20 0 EDADLP FC(F)(F)c1nc2ccccc2c(N2CC[NH2+]CC[NH2+]CC2)n1 ZINC000900369346 591998778 /nfs/dbraw/zinc/99/87/78/591998778.db2.gz GWJIVAWPPGDNFY-UHFFFAOYSA-N 2 2 325.338 1.648 20 0 EDADLP CN(c1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1)S(C)(=O)=O ZINC000902515197 592008813 /nfs/dbraw/zinc/00/88/13/592008813.db2.gz UCAQWKXFLPTDCI-INIZCTEOSA-N 2 2 337.489 1.847 20 0 EDADLP [NH3+]C[C@@]1(c2ccccc2)C[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000900403434 592009068 /nfs/dbraw/zinc/00/90/68/592009068.db2.gz UMIDKHRIVKBDAW-UWUNEBHHSA-N 2 2 339.443 1.784 20 0 EDADLP [NH3+]C[C@@]1(c2ccccc2)C[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000900403434 592009069 /nfs/dbraw/zinc/00/90/69/592009069.db2.gz UMIDKHRIVKBDAW-UWUNEBHHSA-N 2 2 339.443 1.784 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000902522486 592010476 /nfs/dbraw/zinc/01/04/76/592010476.db2.gz XULUQQVJAANQHY-GRYCIOLGSA-N 2 2 325.844 1.535 20 0 EDADLP C/C(=C\C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000900410786 592011037 /nfs/dbraw/zinc/01/10/37/592011037.db2.gz ZPXYUNCDWNKFHA-XNTDXEJSSA-N 2 2 341.415 1.162 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000900449097 592020488 /nfs/dbraw/zinc/02/04/88/592020488.db2.gz PXPLXVDZXWUOIB-HNNXBMFYSA-N 2 2 348.447 1.322 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000900449097 592020490 /nfs/dbraw/zinc/02/04/90/592020490.db2.gz PXPLXVDZXWUOIB-HNNXBMFYSA-N 2 2 348.447 1.322 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000900589805 592060921 /nfs/dbraw/zinc/06/09/21/592060921.db2.gz ZKHWUWBPPLNMMY-UHFFFAOYSA-N 2 2 332.448 1.807 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900692887 592097219 /nfs/dbraw/zinc/09/72/19/592097219.db2.gz KZEDZLSSOJKIMV-QZTJIDSGSA-N 3 2 336.524 1.488 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900692887 592097222 /nfs/dbraw/zinc/09/72/22/592097222.db2.gz KZEDZLSSOJKIMV-QZTJIDSGSA-N 3 2 336.524 1.488 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900692887 592097225 /nfs/dbraw/zinc/09/72/25/592097225.db2.gz KZEDZLSSOJKIMV-QZTJIDSGSA-N 3 2 336.524 1.488 20 0 EDADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900692887 592097229 /nfs/dbraw/zinc/09/72/29/592097229.db2.gz KZEDZLSSOJKIMV-QZTJIDSGSA-N 3 2 336.524 1.488 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)CNc2cccc[nH+]2)[C@H](C)C1 ZINC000900730944 592110764 /nfs/dbraw/zinc/11/07/64/592110764.db2.gz JUJDUWUDLJFXDF-CVEARBPZSA-N 2 2 334.464 1.747 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)CNc2cccc[nH+]2)[C@H](C)C1 ZINC000900730944 592110765 /nfs/dbraw/zinc/11/07/65/592110765.db2.gz JUJDUWUDLJFXDF-CVEARBPZSA-N 2 2 334.464 1.747 20 0 EDADLP C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000903082761 592117219 /nfs/dbraw/zinc/11/72/19/592117219.db2.gz WGZUMRDAXLTQGX-RDTXWAMCSA-N 2 2 342.399 1.744 20 0 EDADLP CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000903089047 592118473 /nfs/dbraw/zinc/11/84/73/592118473.db2.gz PPIRHQJVJQSSSW-GBESFXJTSA-N 2 2 339.524 1.720 20 0 EDADLP C[C@@H](C[NH2+][C@@H](C)C1(NC(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000903099106 592120401 /nfs/dbraw/zinc/12/04/01/592120401.db2.gz BYVDYRMCUFBADC-GJZGRUSLSA-N 2 2 341.496 1.990 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903217879 592140992 /nfs/dbraw/zinc/14/09/92/592140992.db2.gz FMIQEPAHFUOIAR-RYRKJORJSA-N 2 2 330.476 1.750 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903217879 592140993 /nfs/dbraw/zinc/14/09/93/592140993.db2.gz FMIQEPAHFUOIAR-RYRKJORJSA-N 2 2 330.476 1.750 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)S1 ZINC000900844102 592145138 /nfs/dbraw/zinc/14/51/38/592145138.db2.gz QYGXIMFYNAQUDL-RBSFLKMASA-N 2 2 336.505 1.639 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)S1 ZINC000900844102 592145141 /nfs/dbraw/zinc/14/51/41/592145141.db2.gz QYGXIMFYNAQUDL-RBSFLKMASA-N 2 2 336.505 1.639 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCCc2nnnn2C)CCC[N@@H+]1Cc1ccccc1 ZINC000903348515 592156743 /nfs/dbraw/zinc/15/67/43/592156743.db2.gz FIBJAIOWLFFKEH-DOTOQJQBSA-N 2 2 328.464 1.785 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCCc2nnnn2C)CCC[N@H+]1Cc1ccccc1 ZINC000903348515 592156744 /nfs/dbraw/zinc/15/67/44/592156744.db2.gz FIBJAIOWLFFKEH-DOTOQJQBSA-N 2 2 328.464 1.785 20 0 EDADLP CO[C@@]1(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CCS(=O)(=O)C1 ZINC000903362558 592159184 /nfs/dbraw/zinc/15/91/84/592159184.db2.gz HKLFAUKRETZOGN-WMLDXEAASA-N 2 2 349.456 1.727 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470320 592175026 /nfs/dbraw/zinc/17/50/26/592175026.db2.gz KVVREGDAUZUTGN-QGZVFWFLSA-N 2 2 349.450 1.927 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000903471548 592175767 /nfs/dbraw/zinc/17/57/67/592175767.db2.gz SYJLVJFYCQZBLC-WMZOPIPTSA-N 2 2 342.487 1.503 20 0 EDADLP O=C(C[NH2+][C@@H]1CC[NH2+]C12CCC2)NC[C@H]1CCN(c2ccccc2)C1 ZINC000903471546 592175810 /nfs/dbraw/zinc/17/58/10/592175810.db2.gz SYJLVJFYCQZBLC-SJLPKXTDSA-N 2 2 342.487 1.503 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)NCCN1CCc2ccccc21 ZINC000903483185 592177213 /nfs/dbraw/zinc/17/72/13/592177213.db2.gz FRFLPWHLAOXKJZ-SFHVURJKSA-N 2 2 342.487 1.430 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900972863 592182185 /nfs/dbraw/zinc/18/21/85/592182185.db2.gz CLKFSHNYWLRVRQ-UHFFFAOYSA-N 3 2 347.507 1.607 20 0 EDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1cnc[nH]1 ZINC000900972863 592182188 /nfs/dbraw/zinc/18/21/88/592182188.db2.gz CLKFSHNYWLRVRQ-UHFFFAOYSA-N 2 2 347.507 1.607 20 0 EDADLP C[C@H](c1cccc(NC(=O)N[C@H]2C[C@H](C[NH3+])C2)c1)[NH+]1CCOCC1 ZINC000904333723 592232625 /nfs/dbraw/zinc/23/26/25/592232625.db2.gz FFMXUJNQZINCSS-CKEIUWERSA-N 2 2 332.448 1.939 20 0 EDADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cnccn1 ZINC000906653529 592236386 /nfs/dbraw/zinc/23/63/86/592236386.db2.gz GBVUDUDRSKDCDP-GDBMZVCRSA-N 2 2 331.464 1.207 20 0 EDADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cnccn1 ZINC000906653529 592236388 /nfs/dbraw/zinc/23/63/88/592236388.db2.gz GBVUDUDRSKDCDP-GDBMZVCRSA-N 2 2 331.464 1.207 20 0 EDADLP CCS(=O)(=O)Nc1ccc(NC2CC[NH+](CC[NH3+])CC2)cc1 ZINC000904359330 592237752 /nfs/dbraw/zinc/23/77/52/592237752.db2.gz KARBSLRPQAVUIU-UHFFFAOYSA-N 2 2 326.466 1.283 20 0 EDADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000904388690 592241937 /nfs/dbraw/zinc/24/19/37/592241937.db2.gz NIDQHHVYNASESY-KRWDZBQOSA-N 2 2 331.460 1.637 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CNc3cccc[nH+]3)nc2)C1 ZINC000901157218 592266419 /nfs/dbraw/zinc/26/64/19/592266419.db2.gz LZLRUOXLRBMVMP-HNNXBMFYSA-N 2 2 340.431 1.668 20 0 EDADLP CCn1nc(C2CC2)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906660055 592269661 /nfs/dbraw/zinc/26/96/61/592269661.db2.gz JETMBFOEAWWQBH-OAHLLOKOSA-N 2 2 345.491 1.679 20 0 EDADLP CCn1nc(C2CC2)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906660055 592269664 /nfs/dbraw/zinc/26/96/64/592269664.db2.gz JETMBFOEAWWQBH-OAHLLOKOSA-N 2 2 345.491 1.679 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3ccnn3-c3ccc(F)cc3)C[C@H]2[NH3+])c1 ZINC000904486910 592271640 /nfs/dbraw/zinc/27/16/40/592271640.db2.gz YJJRHOKFOVHNQU-IAGOWNOFSA-N 2 2 340.406 1.672 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3C[NH3+])CC2)CC1 ZINC000904645160 592302751 /nfs/dbraw/zinc/30/27/51/592302751.db2.gz TUXBCPCHDSXHOL-UHFFFAOYSA-N 3 2 345.491 1.825 20 0 EDADLP CCn1cc([C@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cn1 ZINC000903759498 592306657 /nfs/dbraw/zinc/30/66/57/592306657.db2.gz QOIQJGRSQXIEIP-DLBZAZTESA-N 2 2 334.464 1.435 20 0 EDADLP CCn1cc([C@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cn1 ZINC000903759498 592306660 /nfs/dbraw/zinc/30/66/60/592306660.db2.gz QOIQJGRSQXIEIP-DLBZAZTESA-N 2 2 334.464 1.435 20 0 EDADLP Cc1cccc([C@@H]2C(=O)NCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903766114 592309046 /nfs/dbraw/zinc/30/90/46/592309046.db2.gz OYIDFSREXXYOMJ-ZHALLVOQSA-N 2 2 329.444 1.237 20 0 EDADLP Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903766114 592309051 /nfs/dbraw/zinc/30/90/51/592309051.db2.gz OYIDFSREXXYOMJ-ZHALLVOQSA-N 2 2 329.444 1.237 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903755852 592313955 /nfs/dbraw/zinc/31/39/55/592313955.db2.gz DXJCDHPGZISTTO-KGLIPLIRSA-N 2 2 347.463 1.152 20 0 EDADLP COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903755287 592314113 /nfs/dbraw/zinc/31/41/13/592314113.db2.gz DYJGLUDQYJZMQJ-WMZOPIPTSA-N 2 2 344.455 1.918 20 0 EDADLP COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903755287 592314115 /nfs/dbraw/zinc/31/41/15/592314115.db2.gz DYJGLUDQYJZMQJ-WMZOPIPTSA-N 2 2 344.455 1.918 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906764974 592321246 /nfs/dbraw/zinc/32/12/46/592321246.db2.gz JGVVCVOMILOOHO-SFHVURJKSA-N 2 2 339.399 1.165 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000901297733 592328877 /nfs/dbraw/zinc/32/88/77/592328877.db2.gz BLDJJAKMKLQYCF-UONOGXRCSA-N 2 2 334.420 1.348 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000901297733 592328882 /nfs/dbraw/zinc/32/88/82/592328882.db2.gz BLDJJAKMKLQYCF-UONOGXRCSA-N 2 2 334.420 1.348 20 0 EDADLP [NH3+][C@H]1CCc2[nH+]cc(-c3cccc(CN4CCCS4(=O)=O)c3)n2C1 ZINC000904806580 592329171 /nfs/dbraw/zinc/32/91/71/592329171.db2.gz VXBWAFQUMSFPAN-HNNXBMFYSA-N 2 2 346.456 1.359 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000908134281 592346549 /nfs/dbraw/zinc/34/65/49/592346549.db2.gz PYUFGYTXIWJRNE-INIZCTEOSA-N 2 2 333.480 1.120 20 0 EDADLP C[N@H+](CCOc1ccccc1F)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903878100 592359010 /nfs/dbraw/zinc/35/90/10/592359010.db2.gz QLHGZOARCKZSGM-CQSZACIVSA-N 2 2 333.411 1.853 20 0 EDADLP C[N@@H+](CCOc1ccccc1F)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903878100 592359015 /nfs/dbraw/zinc/35/90/15/592359015.db2.gz QLHGZOARCKZSGM-CQSZACIVSA-N 2 2 333.411 1.853 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cnn1C ZINC000903880814 592360927 /nfs/dbraw/zinc/36/09/27/592360927.db2.gz WGDIPAZWPQPWSM-HNNXBMFYSA-N 2 2 335.496 1.036 20 0 EDADLP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000906841505 592364962 /nfs/dbraw/zinc/36/49/62/592364962.db2.gz MAQXUFKWKVRNLY-SJORKVTESA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H]1C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1CC(F)F ZINC000903898767 592368827 /nfs/dbraw/zinc/36/88/27/592368827.db2.gz PUJSRFQOOOLNSF-UONOGXRCSA-N 2 2 342.438 1.364 20 0 EDADLP CC[C@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1CC(F)F ZINC000903898767 592368831 /nfs/dbraw/zinc/36/88/31/592368831.db2.gz PUJSRFQOOOLNSF-UONOGXRCSA-N 2 2 342.438 1.364 20 0 EDADLP O[C@H](C[C@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000905029425 592386842 /nfs/dbraw/zinc/38/68/42/592386842.db2.gz BOVFDAXZEAOJRY-ZWKOTPCHSA-N 2 2 325.412 1.951 20 0 EDADLP [NH3+]Cc1nc2c(s1)CC[N@H+](Cc1ccc(-n3cncn3)cc1)C2 ZINC000903940842 592391853 /nfs/dbraw/zinc/39/18/53/592391853.db2.gz GFSIZCWKXJBDJM-UHFFFAOYSA-N 2 2 326.429 1.741 20 0 EDADLP [NH3+]Cc1nc2c(s1)CC[N@@H+](Cc1ccc(-n3cncn3)cc1)C2 ZINC000903940842 592391859 /nfs/dbraw/zinc/39/18/59/592391859.db2.gz GFSIZCWKXJBDJM-UHFFFAOYSA-N 2 2 326.429 1.741 20 0 EDADLP c1ncn(-c2ccc(C[NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)cc2)n1 ZINC000903975238 592398887 /nfs/dbraw/zinc/39/88/87/592398887.db2.gz ZQWBOFAYGXKYBL-MRXNPFEDSA-N 2 2 327.432 1.516 20 0 EDADLP CCN1CC[C@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901727735 592446364 /nfs/dbraw/zinc/44/63/64/592446364.db2.gz ISNNJBPGVOXVMM-ZJUUUORDSA-N 2 2 327.226 1.171 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)[NH+](C)C ZINC000905230339 592458332 /nfs/dbraw/zinc/45/83/32/592458332.db2.gz PIRCJCBHRFVZMM-CAMMJAKZSA-N 2 2 336.476 1.478 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)C1CC1 ZINC000905220272 592472606 /nfs/dbraw/zinc/47/26/06/592472606.db2.gz WDCPXSHNUHUIKZ-XUVXKRRUSA-N 2 2 348.487 1.389 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)C1CC1 ZINC000905220272 592472607 /nfs/dbraw/zinc/47/26/07/592472607.db2.gz WDCPXSHNUHUIKZ-XUVXKRRUSA-N 2 2 348.487 1.389 20 0 EDADLP [NH3+]C1CC(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000905305813 592499658 /nfs/dbraw/zinc/49/96/58/592499658.db2.gz XGQPSOZOLAWVHN-UHFFFAOYSA-N 2 2 328.416 1.849 20 0 EDADLP O[C@@H](C[NH2+]C1CCC2(COC2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000905452646 592530533 /nfs/dbraw/zinc/53/05/33/592530533.db2.gz MQWZXJMJGGSGDV-IBGZPJMESA-N 2 2 330.472 1.954 20 0 EDADLP O[C@@H](C[NH2+]C1CCC2(COC2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000905452646 592530535 /nfs/dbraw/zinc/53/05/35/592530535.db2.gz MQWZXJMJGGSGDV-IBGZPJMESA-N 2 2 330.472 1.954 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)C2(CCCCC2)C1)[NH+]1CCSCC1 ZINC000908573669 592544635 /nfs/dbraw/zinc/54/46/35/592544635.db2.gz UHAVQGVIEASGTA-OAHLLOKOSA-N 2 2 325.522 1.901 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1)[NH+]1CCSCC1 ZINC000908573669 592544638 /nfs/dbraw/zinc/54/46/38/592544638.db2.gz UHAVQGVIEASGTA-OAHLLOKOSA-N 2 2 325.522 1.901 20 0 EDADLP C[N@H+](CCO)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000905488033 592550821 /nfs/dbraw/zinc/55/08/21/592550821.db2.gz AMAYZAPZIWKUTD-AWEZNQCLSA-N 2 2 349.244 1.309 20 0 EDADLP C[N@@H+](CCO)CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000905488033 592550823 /nfs/dbraw/zinc/55/08/23/592550823.db2.gz AMAYZAPZIWKUTD-AWEZNQCLSA-N 2 2 349.244 1.309 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@H](O)COCc2cccs2)n1 ZINC000905532484 592564228 /nfs/dbraw/zinc/56/42/28/592564228.db2.gz IWFXQMMAJQRDAJ-ZDUSSCGKSA-N 2 2 341.502 1.934 20 0 EDADLP O[C@H](C[NH2+]C[C@]12CCC[C@H]1OCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000905565110 592568004 /nfs/dbraw/zinc/56/80/04/592568004.db2.gz GYWKZMVFUOSTQK-VAMGGRTRSA-N 2 2 330.472 1.954 20 0 EDADLP O[C@H](C[NH2+]C[C@]12CCC[C@H]1OCC2)C[N@H+]1CCc2ccccc2C1 ZINC000905565110 592568005 /nfs/dbraw/zinc/56/80/05/592568005.db2.gz GYWKZMVFUOSTQK-VAMGGRTRSA-N 2 2 330.472 1.954 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905619172 592596051 /nfs/dbraw/zinc/59/60/51/592596051.db2.gz LUXVXBNPVWCABF-RTBURBONSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905619172 592596053 /nfs/dbraw/zinc/59/60/53/592596053.db2.gz LUXVXBNPVWCABF-RTBURBONSA-N 2 2 348.487 1.886 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[C@H](C2CC2)O1)C[N@@H+]1CCc2ccccc2C1 ZINC000905649058 592596247 /nfs/dbraw/zinc/59/62/47/592596247.db2.gz OSECDIUDAYXXOF-VAMGGRTRSA-N 2 2 330.472 1.953 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[C@H](C2CC2)O1)C[N@H+]1CCc2ccccc2C1 ZINC000905649058 592596248 /nfs/dbraw/zinc/59/62/48/592596248.db2.gz OSECDIUDAYXXOF-VAMGGRTRSA-N 2 2 330.472 1.953 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@H]3C[NH2+]CCC3(F)F)[nH+]cn2)C1 ZINC000905676915 592608835 /nfs/dbraw/zinc/60/88/35/592608835.db2.gz FFUNPIKLXHQMEE-QWHCGFSZSA-N 2 2 341.406 1.342 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@H]3C[NH2+]CCC3(F)F)nc[nH+]2)C1 ZINC000905676915 592608836 /nfs/dbraw/zinc/60/88/36/592608836.db2.gz FFUNPIKLXHQMEE-QWHCGFSZSA-N 2 2 341.406 1.342 20 0 EDADLP [NH3+][C@@H]1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C[C@H]1C(F)(F)F ZINC000905711630 592619933 /nfs/dbraw/zinc/61/99/33/592619933.db2.gz KFNMPWCWDPWPJZ-QJPTWQEYSA-N 2 2 345.369 1.011 20 0 EDADLP C[NH+](C)CCCC(C)(C)NC(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000909022857 592715877 /nfs/dbraw/zinc/71/58/77/592715877.db2.gz SVGCRFOINFZZCF-ZDUSSCGKSA-N 2 2 338.452 1.091 20 0 EDADLP C[NH+](C)CCCC(C)(C)NC(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000909022857 592715879 /nfs/dbraw/zinc/71/58/79/592715879.db2.gz SVGCRFOINFZZCF-ZDUSSCGKSA-N 2 2 338.452 1.091 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CCCC[N@H+]3C)ccc2n1C(CO)CO ZINC000909302653 592803160 /nfs/dbraw/zinc/80/31/60/592803160.db2.gz NUJMXAAZMQCERJ-KRWDZBQOSA-N 2 2 346.431 1.293 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3CCCC[N@@H+]3C)ccc2n1C(CO)CO ZINC000909302653 592803162 /nfs/dbraw/zinc/80/31/62/592803162.db2.gz NUJMXAAZMQCERJ-KRWDZBQOSA-N 2 2 346.431 1.293 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906362686 592805256 /nfs/dbraw/zinc/80/52/56/592805256.db2.gz SCVVWUWLWQAQJZ-INIZCTEOSA-N 2 2 346.475 1.034 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccn1CC[NH+]1CCOCC1 ZINC000906362686 592805260 /nfs/dbraw/zinc/80/52/60/592805260.db2.gz SCVVWUWLWQAQJZ-INIZCTEOSA-N 2 2 346.475 1.034 20 0 EDADLP CC[N@H+]1[C@H](C)CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C[C@@H]1C ZINC000912024483 593048947 /nfs/dbraw/zinc/04/89/47/593048947.db2.gz PHVUZDCDUQXVDY-BETUJISGSA-N 2 2 344.463 1.589 20 0 EDADLP CC[N@@H+]1[C@H](C)CN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)C[C@@H]1C ZINC000912024483 593048948 /nfs/dbraw/zinc/04/89/48/593048948.db2.gz PHVUZDCDUQXVDY-BETUJISGSA-N 2 2 344.463 1.589 20 0 EDADLP CN(CCCF)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000888403473 593050812 /nfs/dbraw/zinc/05/08/12/593050812.db2.gz LILHPGGCZMAGEQ-UHFFFAOYSA-N 2 2 328.476 1.938 20 0 EDADLP Cn1ncc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000808415459 593257716 /nfs/dbraw/zinc/25/77/16/593257716.db2.gz CZYOXRLGPJOFGJ-UHFFFAOYSA-N 2 2 334.855 1.510 20 0 EDADLP C[C@]1(C2CCCC2)NC(=O)N(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000802731230 593273272 /nfs/dbraw/zinc/27/32/72/593273272.db2.gz JDYMWFWUHDAMKY-GOSISDBHSA-N 2 2 345.447 1.978 20 0 EDADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000843061585 593382301 /nfs/dbraw/zinc/38/23/01/593382301.db2.gz IZGRZDUEEQHBIX-FZMZJTMJSA-N 2 2 349.244 1.308 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)C1 ZINC000811790479 593482321 /nfs/dbraw/zinc/48/23/21/593482321.db2.gz BPVIIDXZHCFLGJ-HFTRVMKXSA-N 2 2 344.459 1.727 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)C1 ZINC000811790479 593482322 /nfs/dbraw/zinc/48/23/22/593482322.db2.gz BPVIIDXZHCFLGJ-HFTRVMKXSA-N 2 2 344.459 1.727 20 0 EDADLP Cc1n[nH]c(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000812842178 593510669 /nfs/dbraw/zinc/51/06/69/593510669.db2.gz GFGDGFRIHHZTLJ-UHFFFAOYSA-N 2 2 328.464 1.980 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000817657461 593620364 /nfs/dbraw/zinc/62/03/64/593620364.db2.gz ZLBLNXNXFKXCSA-UHFFFAOYSA-N 3 2 336.524 1.489 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000817657461 593620366 /nfs/dbraw/zinc/62/03/66/593620366.db2.gz ZLBLNXNXFKXCSA-UHFFFAOYSA-N 3 2 336.524 1.489 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@H]1C[NH3+] ZINC000817880501 593643858 /nfs/dbraw/zinc/64/38/58/593643858.db2.gz XEHHRLVZRDSELO-JHJVBQTASA-N 2 2 329.466 1.335 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@H]1C[NH3+] ZINC000817880501 593643859 /nfs/dbraw/zinc/64/38/59/593643859.db2.gz XEHHRLVZRDSELO-JHJVBQTASA-N 2 2 329.466 1.335 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000819134426 593740716 /nfs/dbraw/zinc/74/07/16/593740716.db2.gz HBKITCYHPLGPHK-KGLIPLIRSA-N 2 2 348.509 1.205 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C[N@@H+]1C1CC1 ZINC000819143985 593741223 /nfs/dbraw/zinc/74/12/23/593741223.db2.gz SALOGBIAFKCMCW-NFAWXSAZSA-N 2 2 327.469 1.477 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C[N@H+]1C1CC1 ZINC000819143985 593741224 /nfs/dbraw/zinc/74/12/24/593741224.db2.gz SALOGBIAFKCMCW-NFAWXSAZSA-N 2 2 327.469 1.477 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 ZINC000819193332 593743826 /nfs/dbraw/zinc/74/38/26/593743826.db2.gz FGMNKSBBVIAVFC-ROUUACIJSA-N 2 2 331.460 1.222 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)C1CC1 ZINC000819193332 593743827 /nfs/dbraw/zinc/74/38/27/593743827.db2.gz FGMNKSBBVIAVFC-ROUUACIJSA-N 2 2 331.460 1.222 20 0 EDADLP c1[nH]cc(C2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)[nH+]1 ZINC000823762432 593853084 /nfs/dbraw/zinc/85/30/84/593853084.db2.gz PAWJDSLYZMPYKY-UHFFFAOYSA-N 2 2 339.403 1.848 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[N@@H+]1C ZINC000820668371 593858309 /nfs/dbraw/zinc/85/83/09/593858309.db2.gz RZTRKKGPNMBFPS-YPMHNXCESA-N 2 2 326.408 1.087 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[N@H+]1C ZINC000820668371 593858311 /nfs/dbraw/zinc/85/83/11/593858311.db2.gz RZTRKKGPNMBFPS-YPMHNXCESA-N 2 2 326.408 1.087 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000824131622 593936164 /nfs/dbraw/zinc/93/61/64/593936164.db2.gz XOCBJASIBPQREJ-UHFFFAOYSA-N 2 2 335.496 1.931 20 0 EDADLP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1-c1nn[nH]n1 ZINC000821804659 593943552 /nfs/dbraw/zinc/94/35/52/593943552.db2.gz OUCQDDWPKGIZEH-UHFFFAOYSA-N 2 2 328.420 1.592 20 0 EDADLP CCCCC[C@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000822891643 594118270 /nfs/dbraw/zinc/11/82/70/594118270.db2.gz ANUVUTFOLUTWGA-KRWDZBQOSA-N 2 2 325.497 1.602 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(n4cccn4)CC3)CC2)CC1 ZINC000823114368 594155322 /nfs/dbraw/zinc/15/53/22/594155322.db2.gz VKFGGYVNWPCQAL-UHFFFAOYSA-N 2 2 345.491 1.391 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(n4cccn4)CC3)CC2)CC1 ZINC000823114368 594155325 /nfs/dbraw/zinc/15/53/25/594155325.db2.gz VKFGGYVNWPCQAL-UHFFFAOYSA-N 2 2 345.491 1.391 20 0 EDADLP C[N@@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000825816018 594253799 /nfs/dbraw/zinc/25/37/99/594253799.db2.gz LASVPMGOXHXVSW-AWEZNQCLSA-N 2 2 349.479 1.470 20 0 EDADLP C[N@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000825816018 594253800 /nfs/dbraw/zinc/25/38/00/594253800.db2.gz LASVPMGOXHXVSW-AWEZNQCLSA-N 2 2 349.479 1.470 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000825985188 594298195 /nfs/dbraw/zinc/29/81/95/594298195.db2.gz BHIKVVHUHZHIOZ-QGZVFWFLSA-N 2 2 331.460 1.775 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2[nH+]cc(C)c(OC)c2C)C1(C)C ZINC000827976997 594313515 /nfs/dbraw/zinc/31/35/15/594313515.db2.gz ZMXJYTRTWSCJDX-KBXCAEBGSA-N 2 2 335.448 1.856 20 0 EDADLP Cc1cc[nH+]c(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1-c1nn[nH]n1 ZINC000826313658 594420269 /nfs/dbraw/zinc/42/02/69/594420269.db2.gz ORKHHMFTCQEAER-KBPBESRZSA-N 2 2 345.451 1.871 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(c2[nH+]c3c(cc2-c2nn[nH]n2)CCC3)C1 ZINC000826363907 594446346 /nfs/dbraw/zinc/44/63/46/594446346.db2.gz FKBJNQFHERXPLQ-LBPRGKRZSA-N 2 2 336.403 1.478 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC000826596585 594535538 /nfs/dbraw/zinc/53/55/38/594535538.db2.gz CYZIDCJGDKPWOK-GOSISDBHSA-N 2 2 331.460 1.408 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)cc1 ZINC000826596585 594535539 /nfs/dbraw/zinc/53/55/39/594535539.db2.gz CYZIDCJGDKPWOK-GOSISDBHSA-N 2 2 331.460 1.408 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C\COc3ccccc3)C2)CC1 ZINC000827414463 594669739 /nfs/dbraw/zinc/66/97/39/594669739.db2.gz VRTWMKXNDULUJQ-AFCDSYGPSA-N 2 2 343.471 1.906 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C\COc3ccccc3)C2)CC1 ZINC000827414463 594669740 /nfs/dbraw/zinc/66/97/40/594669740.db2.gz VRTWMKXNDULUJQ-AFCDSYGPSA-N 2 2 343.471 1.906 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867119549 594810640 /nfs/dbraw/zinc/81/06/40/594810640.db2.gz FKIQPJPUAOIOOO-CPUCHLNUSA-N 2 2 328.416 1.565 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867119549 594810641 /nfs/dbraw/zinc/81/06/41/594810641.db2.gz FKIQPJPUAOIOOO-CPUCHLNUSA-N 2 2 328.416 1.565 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCn4cc[nH+]c43)cc2)CC1 ZINC000833292143 594821759 /nfs/dbraw/zinc/82/17/59/594821759.db2.gz CCUJURIZDLSAHV-KRWDZBQOSA-N 2 2 339.443 1.900 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)ccc1OC(=O)CC ZINC000840897373 594825123 /nfs/dbraw/zinc/82/51/23/594825123.db2.gz SLKXMIQBVDDGFE-INIZCTEOSA-N 2 2 349.475 1.736 20 0 EDADLP CCOc1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)ccc1OC(=O)CC ZINC000840897373 594825125 /nfs/dbraw/zinc/82/51/25/594825125.db2.gz SLKXMIQBVDDGFE-INIZCTEOSA-N 2 2 349.475 1.736 20 0 EDADLP Ic1ccccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841086408 594849022 /nfs/dbraw/zinc/84/90/22/594849022.db2.gz NJOTUMZQSWZJQS-GFCCVEGCSA-N 2 2 346.212 1.759 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841287722 594881966 /nfs/dbraw/zinc/88/19/66/594881966.db2.gz IZCDGKKFDOBYQC-UHFFFAOYSA-N 3 2 349.479 1.172 20 0 EDADLP Cc1ccc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000841676511 594934770 /nfs/dbraw/zinc/93/47/70/594934770.db2.gz WCJNMUFMGBADTA-UONOGXRCSA-N 2 2 335.452 1.375 20 0 EDADLP Cc1ccc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(N(C)C)[nH+]1 ZINC000841676511 594934771 /nfs/dbraw/zinc/93/47/71/594934771.db2.gz WCJNMUFMGBADTA-UONOGXRCSA-N 2 2 335.452 1.375 20 0 EDADLP C[C@@H](O)CCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000842027663 595005337 /nfs/dbraw/zinc/00/53/37/595005337.db2.gz GDSSMCPOLHXUDC-MRXNPFEDSA-N 2 2 334.464 1.464 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC[C@@H]1[NH3+] ZINC000843354275 595084778 /nfs/dbraw/zinc/08/47/78/595084778.db2.gz XAFIEKSLKPKUEO-YOEHRIQHSA-N 2 2 344.459 1.099 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC[C@@H]1[NH3+] ZINC000843354275 595084780 /nfs/dbraw/zinc/08/47/80/595084780.db2.gz XAFIEKSLKPKUEO-YOEHRIQHSA-N 2 2 344.459 1.099 20 0 EDADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000842480576 595117047 /nfs/dbraw/zinc/11/70/47/595117047.db2.gz SCRVHXLEHXWOHO-OAGGEKHMSA-N 2 2 326.481 1.776 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000867231980 595144022 /nfs/dbraw/zinc/14/40/22/595144022.db2.gz GVJXXERBDVUENC-FUHWJXTLSA-N 2 2 342.443 1.956 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000867231980 595144026 /nfs/dbraw/zinc/14/40/26/595144026.db2.gz GVJXXERBDVUENC-FUHWJXTLSA-N 2 2 342.443 1.956 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CC2)[nH+]c1 ZINC000834845502 595228624 /nfs/dbraw/zinc/22/86/24/595228624.db2.gz ATWYZFSAWGTHEM-CQSZACIVSA-N 2 2 338.402 1.720 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Br)C1CC1 ZINC000843093277 595285677 /nfs/dbraw/zinc/28/56/77/595285677.db2.gz GBENFONXHFOYAO-WFASDCNBSA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Br)C1CC1 ZINC000843093277 595285680 /nfs/dbraw/zinc/28/56/80/595285680.db2.gz GBENFONXHFOYAO-WFASDCNBSA-N 2 2 343.265 1.527 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OCC(N)=O ZINC000843127182 595292996 /nfs/dbraw/zinc/29/29/96/595292996.db2.gz AZRYDBNZPNURAZ-INIZCTEOSA-N 2 2 333.432 1.324 20 0 EDADLP C[C@@H](c1cccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000844182724 595294821 /nfs/dbraw/zinc/29/48/21/595294821.db2.gz KBESOJFLNWFOOR-MAUKXSAKSA-N 2 2 347.459 1.787 20 0 EDADLP Cc1ccc(N(C)[C@H]2CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2)cc1 ZINC000846681431 595300620 /nfs/dbraw/zinc/30/06/20/595300620.db2.gz HKCBWJHAXUCXKN-ZWKOTPCHSA-N 2 2 332.492 1.701 20 0 EDADLP C[C@H]1CN(c2ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc2)C[C@H](C)O1 ZINC000844220195 595305499 /nfs/dbraw/zinc/30/54/99/595305499.db2.gz USOZRDRZIKJANO-GJZGRUSLSA-N 2 2 334.464 1.519 20 0 EDADLP C[C@H]1CN(c2ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc2)C[C@H](C)O1 ZINC000844220195 595305500 /nfs/dbraw/zinc/30/55/00/595305500.db2.gz USOZRDRZIKJANO-GJZGRUSLSA-N 2 2 334.464 1.519 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC2)c1 ZINC000844292398 595318155 /nfs/dbraw/zinc/31/81/55/595318155.db2.gz GOLUBYSOKDAENL-HNNXBMFYSA-N 2 2 332.404 1.195 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)O[C@@H](C)COC)CC2)CC1 ZINC000867440025 595327116 /nfs/dbraw/zinc/32/71/16/595327116.db2.gz DGPIJMSRBKPIDP-HNNXBMFYSA-N 2 2 327.469 1.650 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)O[C@@H](C)COC)CC2)CC1 ZINC000867440025 595327118 /nfs/dbraw/zinc/32/71/18/595327118.db2.gz DGPIJMSRBKPIDP-HNNXBMFYSA-N 2 2 327.469 1.650 20 0 EDADLP O=C(Cc1ccccc1)OCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000844338583 595328146 /nfs/dbraw/zinc/32/81/46/595328146.db2.gz RIROZXSBSMHBRR-UHFFFAOYSA-N 2 2 346.471 1.599 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC000846935047 595339339 /nfs/dbraw/zinc/33/93/39/595339339.db2.gz COCLBMVXNLDNHA-UHFFFAOYSA-N 2 2 334.460 1.945 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)c1ccccc1Br ZINC000846985320 595346789 /nfs/dbraw/zinc/34/67/89/595346789.db2.gz STOLVQWSOZXTLC-WFASDCNBSA-N 2 2 345.281 1.727 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)c1ccccc1Br ZINC000846985320 595346790 /nfs/dbraw/zinc/34/67/90/595346790.db2.gz STOLVQWSOZXTLC-WFASDCNBSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000846985320 595346793 /nfs/dbraw/zinc/34/67/93/595346793.db2.gz STOLVQWSOZXTLC-WFASDCNBSA-N 2 2 345.281 1.727 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000846985320 595346797 /nfs/dbraw/zinc/34/67/97/595346797.db2.gz STOLVQWSOZXTLC-WFASDCNBSA-N 2 2 345.281 1.727 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000849064289 595476990 /nfs/dbraw/zinc/47/69/90/595476990.db2.gz MBVVMTCFCHFVJJ-QGZVFWFLSA-N 3 2 326.448 1.971 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000849064289 595476993 /nfs/dbraw/zinc/47/69/93/595476993.db2.gz MBVVMTCFCHFVJJ-QGZVFWFLSA-N 3 2 326.448 1.971 20 0 EDADLP O=C1N(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H]2CCCCN12 ZINC000850561315 595535168 /nfs/dbraw/zinc/53/51/68/595535168.db2.gz IUJQOJZTPJJWQI-KRWDZBQOSA-N 2 2 343.475 1.930 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852857146 595577700 /nfs/dbraw/zinc/57/77/00/595577700.db2.gz KHQRQJFMSMTWKR-AWEZNQCLSA-N 2 2 339.321 1.426 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)Nc2ccn3cc[nH+]c3c2)cn1 ZINC000849585037 595581405 /nfs/dbraw/zinc/58/14/05/595581405.db2.gz IHBDGTPUOXEVAY-CVEARBPZSA-N 2 2 338.415 1.742 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2ccn3cc[nH+]c3c2)cn1 ZINC000849585037 595581408 /nfs/dbraw/zinc/58/14/08/595581408.db2.gz IHBDGTPUOXEVAY-CVEARBPZSA-N 2 2 338.415 1.742 20 0 EDADLP Cc1ccc(N)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852913497 595611794 /nfs/dbraw/zinc/61/17/94/595611794.db2.gz XFOXZNFUGLTBBZ-QGZVFWFLSA-N 2 2 330.476 1.818 20 0 EDADLP Cc1ccc(N)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852913497 595611795 /nfs/dbraw/zinc/61/17/95/595611795.db2.gz XFOXZNFUGLTBBZ-QGZVFWFLSA-N 2 2 330.476 1.818 20 0 EDADLP Fc1cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)ccn1 ZINC000858094356 595698457 /nfs/dbraw/zinc/69/84/57/595698457.db2.gz KYNRHCXCYLCWAZ-UHFFFAOYSA-N 2 2 330.411 1.313 20 0 EDADLP Cn1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(Br)n1 ZINC000858106814 595701723 /nfs/dbraw/zinc/70/17/23/595701723.db2.gz SUULZTSVOHLEHK-UHFFFAOYSA-N 2 2 331.258 1.119 20 0 EDADLP CC(C)(C)OC(=O)N1CCC(CC[NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000858297876 595757027 /nfs/dbraw/zinc/75/70/27/595757027.db2.gz KORXFGYUZGTUFM-MRXNPFEDSA-N 2 2 341.496 1.680 20 0 EDADLP CC(C)(C)OC(=O)N1CCC(CC[NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000858297876 595757030 /nfs/dbraw/zinc/75/70/30/595757030.db2.gz KORXFGYUZGTUFM-MRXNPFEDSA-N 2 2 341.496 1.680 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CC[S@@](=O)CC(F)(F)F)s1 ZINC000850350949 595815034 /nfs/dbraw/zinc/81/50/34/595815034.db2.gz WNJQULGPBIVVND-HXUWFJFHSA-N 2 2 329.413 1.605 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000850422417 595831292 /nfs/dbraw/zinc/83/12/92/595831292.db2.gz PPHHPQHKDDUPAV-OFLPRAFFSA-N 2 2 341.496 1.990 20 0 EDADLP CCOC(=O)NC1CCC([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000850422417 595831294 /nfs/dbraw/zinc/83/12/94/595831294.db2.gz PPHHPQHKDDUPAV-OFLPRAFFSA-N 2 2 341.496 1.990 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N(C)CC(C)(C)[NH3+])c1[nH+]ccn1C ZINC000851655251 595869701 /nfs/dbraw/zinc/86/97/01/595869701.db2.gz RAMQPGMJZNPBNW-HNNXBMFYSA-N 2 2 345.447 1.897 20 0 EDADLP CC[C@H](C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1)[NH+](CC)CC ZINC000856609809 596033046 /nfs/dbraw/zinc/03/30/46/596033046.db2.gz FDXSHBBVVKBDKY-GVDBMIGSSA-N 2 2 346.475 1.484 20 0 EDADLP C[NH+]1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854334417 596039762 /nfs/dbraw/zinc/03/97/62/596039762.db2.gz IMFCZAUDRIUVOC-OAHLLOKOSA-N 2 2 336.480 1.672 20 0 EDADLP O[C@H](C[C@H]1COCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1)c1cccs1 ZINC000852746987 596237702 /nfs/dbraw/zinc/23/77/02/596237702.db2.gz WFTITVFOIGZLPS-RRFJBIMHSA-N 2 2 338.473 1.393 20 0 EDADLP O[C@H](C[C@H]1COCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1)c1cccs1 ZINC000852746987 596237703 /nfs/dbraw/zinc/23/77/03/596237703.db2.gz WFTITVFOIGZLPS-RRFJBIMHSA-N 2 2 338.473 1.393 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000866578112 596257158 /nfs/dbraw/zinc/25/71/58/596257158.db2.gz JLVKRXFDQVTGFI-SUMWQHHRSA-N 2 2 337.489 1.210 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000866578112 596257163 /nfs/dbraw/zinc/25/71/63/596257163.db2.gz JLVKRXFDQVTGFI-SUMWQHHRSA-N 2 2 337.489 1.210 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000866578109 596257174 /nfs/dbraw/zinc/25/71/74/596257174.db2.gz JLVKRXFDQVTGFI-CXAGYDPISA-N 2 2 337.489 1.210 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000866578109 596257178 /nfs/dbraw/zinc/25/71/78/596257178.db2.gz JLVKRXFDQVTGFI-CXAGYDPISA-N 2 2 337.489 1.210 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000864614476 596283237 /nfs/dbraw/zinc/28/32/37/596283237.db2.gz CTHJWFGOHOTSOC-INIZCTEOSA-N 2 2 348.422 1.489 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000864614476 596283238 /nfs/dbraw/zinc/28/32/38/596283238.db2.gz CTHJWFGOHOTSOC-INIZCTEOSA-N 2 2 348.422 1.489 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000866707325 596301857 /nfs/dbraw/zinc/30/18/57/596301857.db2.gz GWMPJJPOCCYJRT-DVOMOZLQSA-N 2 2 344.371 1.302 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000866707325 596301861 /nfs/dbraw/zinc/30/18/61/596301861.db2.gz GWMPJJPOCCYJRT-DVOMOZLQSA-N 2 2 344.371 1.302 20 0 EDADLP Cc1cc(C)c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)[nH+]1 ZINC000866711774 596305129 /nfs/dbraw/zinc/30/51/29/596305129.db2.gz NHAMUVSSXPZRRC-UAGQMJEPSA-N 3 2 330.432 1.374 20 0 EDADLP Cc1cc(C)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)[nH+]1 ZINC000866711774 596305130 /nfs/dbraw/zinc/30/51/30/596305130.db2.gz NHAMUVSSXPZRRC-UAGQMJEPSA-N 3 2 330.432 1.374 20 0 EDADLP CNC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000866724997 596310929 /nfs/dbraw/zinc/31/09/29/596310929.db2.gz QDFUABWTKAXEGU-GOSISDBHSA-N 2 2 341.455 1.986 20 0 EDADLP CNC(=O)C[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000866724997 596310933 /nfs/dbraw/zinc/31/09/33/596310933.db2.gz QDFUABWTKAXEGU-GOSISDBHSA-N 2 2 341.455 1.986 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC3(Cl)Cl)c2)CC1 ZINC000870667782 596315721 /nfs/dbraw/zinc/31/57/21/596315721.db2.gz QIYMZSZFRCYREH-NSHDSACASA-N 2 2 329.231 1.966 20 0 EDADLP CCOC(=O)C1=CC[C@H]([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)C1 ZINC000862488596 596335261 /nfs/dbraw/zinc/33/52/61/596335261.db2.gz MQCVVKVCEINHEU-INIZCTEOSA-N 2 2 338.448 1.646 20 0 EDADLP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000862532109 596340200 /nfs/dbraw/zinc/34/02/00/596340200.db2.gz QBISGSUJAJRFHC-HRCADAONSA-N 2 2 341.496 1.821 20 0 EDADLP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000862532109 596340201 /nfs/dbraw/zinc/34/02/01/596340201.db2.gz QBISGSUJAJRFHC-HRCADAONSA-N 2 2 341.496 1.821 20 0 EDADLP Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)/C=C\C[NH+]3CCOCC3)C2)c1 ZINC000870909257 596400005 /nfs/dbraw/zinc/40/00/05/596400005.db2.gz BSAXCLJIZUMUDL-ORUDLHBZSA-N 2 2 343.471 1.574 20 0 EDADLP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)/C=C\C[NH+]3CCOCC3)C2)c1 ZINC000870909257 596400008 /nfs/dbraw/zinc/40/00/08/596400008.db2.gz BSAXCLJIZUMUDL-ORUDLHBZSA-N 2 2 343.471 1.574 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1cn2cc(F)ccc2[nH+]1 ZINC000864941039 596422738 /nfs/dbraw/zinc/42/27/38/596422738.db2.gz KWNZTXKWFKQCJQ-LBPRGKRZSA-N 2 2 329.379 1.973 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])C3CCC3)C2)c1 ZINC000870978750 596426080 /nfs/dbraw/zinc/42/60/80/596426080.db2.gz ZLJHUMBNQYMIGG-MSOLQXFVSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H]([NH3+])C3CCC3)C2)c1 ZINC000870978750 596426083 /nfs/dbraw/zinc/42/60/83/596426083.db2.gz ZLJHUMBNQYMIGG-MSOLQXFVSA-N 2 2 331.460 1.439 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(C=O)cc1F ZINC000869236636 596456498 /nfs/dbraw/zinc/45/64/98/596456498.db2.gz FGJGCMMPZAQMSS-LBPRGKRZSA-N 2 2 341.402 1.779 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(C=O)cc1F ZINC000869236636 596456500 /nfs/dbraw/zinc/45/65/00/596456500.db2.gz FGJGCMMPZAQMSS-LBPRGKRZSA-N 2 2 341.402 1.779 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)[C@@H](C)CO1 ZINC000869245188 596460529 /nfs/dbraw/zinc/46/05/29/596460529.db2.gz YSJMACCWHOOZFR-BFHYXJOUSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+](CC(F)F)C2)[C@@H](C)CO1 ZINC000869245188 596460533 /nfs/dbraw/zinc/46/05/33/596460533.db2.gz YSJMACCWHOOZFR-BFHYXJOUSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)[C@@H](C)CO1 ZINC000869245188 596460535 /nfs/dbraw/zinc/46/05/35/596460535.db2.gz YSJMACCWHOOZFR-BFHYXJOUSA-N 2 2 333.423 1.189 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)[C@@H](C)CO1 ZINC000869245188 596460538 /nfs/dbraw/zinc/46/05/38/596460538.db2.gz YSJMACCWHOOZFR-BFHYXJOUSA-N 2 2 333.423 1.189 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000869307944 596481810 /nfs/dbraw/zinc/48/18/10/596481810.db2.gz XRXUXCCBCPGJKP-UKTKYZJWSA-N 2 2 329.444 1.266 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000869307944 596481813 /nfs/dbraw/zinc/48/18/13/596481813.db2.gz XRXUXCCBCPGJKP-UKTKYZJWSA-N 2 2 329.444 1.266 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)/C=C\C[NH+]3CCOCC3)C2)cc1 ZINC000871188976 596493598 /nfs/dbraw/zinc/49/35/98/596493598.db2.gz WKFDBAAGCGMHIS-FFPCURRISA-N 2 2 343.471 1.574 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)/C=C\C[NH+]3CCOCC3)C2)cc1 ZINC000871188976 596493603 /nfs/dbraw/zinc/49/36/03/596493603.db2.gz WKFDBAAGCGMHIS-FFPCURRISA-N 2 2 343.471 1.574 20 0 EDADLP Cc1cc(CNC(=S)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000865231152 596518141 /nfs/dbraw/zinc/51/81/41/596518141.db2.gz VADQBNHWYYOTLA-UHFFFAOYSA-N 2 2 339.509 1.315 20 0 EDADLP Cc1cc(CNC(=S)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000865231152 596518142 /nfs/dbraw/zinc/51/81/42/596518142.db2.gz VADQBNHWYYOTLA-UHFFFAOYSA-N 2 2 339.509 1.315 20 0 EDADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)c1 ZINC000865408152 596564633 /nfs/dbraw/zinc/56/46/33/596564633.db2.gz PDCKXMSPSDIBGK-GOSISDBHSA-N 2 2 329.448 1.809 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)C[C@H](C)O1 ZINC000865406307 596565005 /nfs/dbraw/zinc/56/50/05/596565005.db2.gz PFWRSEBDBMPEAK-HLLBOEOZSA-N 2 2 337.468 1.046 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)C[C@H](C)O1 ZINC000865406307 596565007 /nfs/dbraw/zinc/56/50/07/596565007.db2.gz PFWRSEBDBMPEAK-HLLBOEOZSA-N 2 2 337.468 1.046 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865442499 596576147 /nfs/dbraw/zinc/57/61/47/596576147.db2.gz NERYFBJCJPDEQP-MRXNPFEDSA-N 2 2 344.463 1.001 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865442499 596576148 /nfs/dbraw/zinc/57/61/48/596576148.db2.gz NERYFBJCJPDEQP-MRXNPFEDSA-N 2 2 344.463 1.001 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000863549458 596614519 /nfs/dbraw/zinc/61/45/19/596614519.db2.gz JUSGTSICIQUUHD-KGLIPLIRSA-N 2 2 336.823 1.492 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000863571378 596621931 /nfs/dbraw/zinc/62/19/31/596621931.db2.gz WXCWJIUHIXLJIQ-LSDHHAIUSA-N 2 2 325.840 1.303 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000863571378 596621933 /nfs/dbraw/zinc/62/19/33/596621933.db2.gz WXCWJIUHIXLJIQ-LSDHHAIUSA-N 2 2 325.840 1.303 20 0 EDADLP COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000869769602 596624053 /nfs/dbraw/zinc/62/40/53/596624053.db2.gz LUZMRQFCKUFCML-UHFFFAOYSA-N 2 2 344.459 1.694 20 0 EDADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cn(C[C@H]4CCCO4)nn3)cn21 ZINC000865614699 596627435 /nfs/dbraw/zinc/62/74/35/596627435.db2.gz OREUVVQTWWPKQJ-QGZVFWFLSA-N 2 2 340.431 1.746 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000865813675 596693726 /nfs/dbraw/zinc/69/37/26/596693726.db2.gz ZQRLLSMHDBEVIH-ZBFHGGJFSA-N 2 2 339.505 1.554 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000865813675 596693728 /nfs/dbraw/zinc/69/37/28/596693728.db2.gz ZQRLLSMHDBEVIH-ZBFHGGJFSA-N 2 2 339.505 1.554 20 0 EDADLP CC(C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CS(N)(=O)=O ZINC000865814126 596693901 /nfs/dbraw/zinc/69/39/01/596693901.db2.gz RDEHVHTVIZRLBL-UHFFFAOYSA-N 2 2 328.463 1.338 20 0 EDADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(NCc2ccccc2)[nH+]cn1 ZINC000865882850 596709093 /nfs/dbraw/zinc/70/90/93/596709093.db2.gz ZZYVEILJDNCYCX-HOTGVXAUSA-N 2 2 341.459 1.980 20 0 EDADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc(NCc2ccccc2)[nH+]cn1 ZINC000865882850 596709095 /nfs/dbraw/zinc/70/90/95/596709095.db2.gz ZZYVEILJDNCYCX-HOTGVXAUSA-N 2 2 341.459 1.980 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000119711876 596714168 /nfs/dbraw/zinc/71/41/68/596714168.db2.gz NRGOZZZOYKPBCA-HNNXBMFYSA-N 2 2 327.432 1.975 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000119711876 596714170 /nfs/dbraw/zinc/71/41/70/596714170.db2.gz NRGOZZZOYKPBCA-HNNXBMFYSA-N 2 2 327.432 1.975 20 0 EDADLP C[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000868186707 596715236 /nfs/dbraw/zinc/71/52/36/596715236.db2.gz PRZAMEBSDTVPGG-MGBSGCIJSA-N 2 2 332.448 1.732 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000870124030 596760849 /nfs/dbraw/zinc/76/08/49/596760849.db2.gz KTXFDVNTNVZWFZ-WMZOPIPTSA-N 2 2 331.460 1.613 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000870124030 596760852 /nfs/dbraw/zinc/76/08/52/596760852.db2.gz KTXFDVNTNVZWFZ-WMZOPIPTSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000870125460 596761486 /nfs/dbraw/zinc/76/14/86/596761486.db2.gz IQITYCGZEHGDFZ-QGZVFWFLSA-N 2 2 331.460 1.614 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866026153 596763809 /nfs/dbraw/zinc/76/38/09/596763809.db2.gz RZJIUPYKBMATAW-YOEHRIQHSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866026153 596763811 /nfs/dbraw/zinc/76/38/11/596763811.db2.gz RZJIUPYKBMATAW-YOEHRIQHSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)[NH+]1CCOCC1 ZINC000868287070 596766846 /nfs/dbraw/zinc/76/68/46/596766846.db2.gz TZPSZNXJLODNQB-HDMKZQKVSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)[NH+]1CCOCC1 ZINC000868287070 596766847 /nfs/dbraw/zinc/76/68/47/596766847.db2.gz TZPSZNXJLODNQB-HDMKZQKVSA-N 2 2 346.475 1.582 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868310644 596783361 /nfs/dbraw/zinc/78/33/61/596783361.db2.gz FIOBELBHRIDFRA-KRWDZBQOSA-N 2 2 334.420 1.252 20 0 EDADLP CCOC(=O)[C@@H](C)C1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000871993153 596783794 /nfs/dbraw/zinc/78/37/94/596783794.db2.gz LWRCOYRGJPYFCZ-JXFKEZNVSA-N 2 2 346.471 1.754 20 0 EDADLP CCOC(=O)[C@@H](C)C1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000871993153 596783798 /nfs/dbraw/zinc/78/37/98/596783798.db2.gz LWRCOYRGJPYFCZ-JXFKEZNVSA-N 2 2 346.471 1.754 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868318525 596786219 /nfs/dbraw/zinc/78/62/19/596786219.db2.gz FBVFZUHPIIAPKE-CLTKARDFSA-N 2 2 335.448 1.448 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868318525 596786221 /nfs/dbraw/zinc/78/62/21/596786221.db2.gz FBVFZUHPIIAPKE-CLTKARDFSA-N 2 2 335.448 1.448 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(O)ccc1F ZINC000872034893 596798161 /nfs/dbraw/zinc/79/81/61/596798161.db2.gz MDRWVYFSBAVUJV-HUUCEWRRSA-N 2 2 337.439 1.588 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc(=O)n2c1 ZINC000872147897 596811270 /nfs/dbraw/zinc/81/12/70/596811270.db2.gz LIBHCCFMBRJZIZ-YPMHNXCESA-N 2 2 340.349 1.572 20 0 EDADLP Cc1ccc2nc(C[N@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc(=O)n2c1 ZINC000872147897 596811271 /nfs/dbraw/zinc/81/12/71/596811271.db2.gz LIBHCCFMBRJZIZ-YPMHNXCESA-N 2 2 340.349 1.572 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148708 596811974 /nfs/dbraw/zinc/81/19/74/596811974.db2.gz PWWFEWPTUZEDLA-XBFCOCLRSA-N 2 2 329.366 1.760 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148708 596811976 /nfs/dbraw/zinc/81/19/76/596811976.db2.gz PWWFEWPTUZEDLA-XBFCOCLRSA-N 2 2 329.366 1.760 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(c3nc4c(cnn4C(C)(C)C)c(N)[nH+]3)CC[C@H]21 ZINC000866207297 596827664 /nfs/dbraw/zinc/82/76/64/596827664.db2.gz CKGOVAULFNIBNN-WCQYABFASA-N 2 2 329.452 1.694 20 0 EDADLP C[N@H+]1CC[C@H]2CN(c3nc4c(cnn4C(C)(C)C)c(N)[nH+]3)CC[C@H]21 ZINC000866207297 596827665 /nfs/dbraw/zinc/82/76/65/596827665.db2.gz CKGOVAULFNIBNN-WCQYABFASA-N 2 2 329.452 1.694 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000872217692 596839665 /nfs/dbraw/zinc/83/96/65/596839665.db2.gz DBWCBHIZQOJLJC-UONOGXRCSA-N 2 2 326.412 1.000 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000872217692 596839666 /nfs/dbraw/zinc/83/96/66/596839666.db2.gz DBWCBHIZQOJLJC-UONOGXRCSA-N 2 2 326.412 1.000 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)C1CC1 ZINC000872229444 596845618 /nfs/dbraw/zinc/84/56/18/596845618.db2.gz QZXXXTXDSQKBJE-QRTARXTBSA-N 2 2 338.473 1.036 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)C1CC1 ZINC000872229444 596845620 /nfs/dbraw/zinc/84/56/20/596845620.db2.gz QZXXXTXDSQKBJE-QRTARXTBSA-N 2 2 338.473 1.036 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3nnc(C4CC4)s3)CC2)CC1 ZINC000872252701 596854782 /nfs/dbraw/zinc/85/47/82/596854782.db2.gz GOTPMIZJTGPMJE-UHFFFAOYSA-N 2 2 349.504 1.402 20 0 EDADLP C(C[C@@H]1CCSC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000866402766 596876852 /nfs/dbraw/zinc/87/68/52/596876852.db2.gz OFIKPKHPUXUCMJ-MRXNPFEDSA-N 2 2 327.538 1.516 20 0 EDADLP C(C[C@@H]1CCSC1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000866402766 596876854 /nfs/dbraw/zinc/87/68/54/596876854.db2.gz OFIKPKHPUXUCMJ-MRXNPFEDSA-N 2 2 327.538 1.516 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)N[C@@H](C)C[NH+](C)C)Cc3ccc[nH+]c3N2C1 ZINC000875583102 596905804 /nfs/dbraw/zinc/90/58/04/596905804.db2.gz KLQHHWBJZGUBSE-IMJJTQAJSA-N 2 2 347.463 1.151 20 0 EDADLP COC(=O)c1ncn(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000125579986 596979543 /nfs/dbraw/zinc/97/95/43/596979543.db2.gz MNIULDHXTLMFHA-OAHLLOKOSA-N 2 2 349.479 1.999 20 0 EDADLP COC(=O)c1ncn(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000125579986 596979546 /nfs/dbraw/zinc/97/95/46/596979546.db2.gz MNIULDHXTLMFHA-OAHLLOKOSA-N 2 2 349.479 1.999 20 0 EDADLP C[C@H]1C[N@H+](CN2CCC3(CCCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872596660 596982030 /nfs/dbraw/zinc/98/20/30/596982030.db2.gz XDWAZGNOVRHILX-ROUUACIJSA-N 2 2 348.535 1.694 20 0 EDADLP C[C@H]1C[N@@H+](CN2CCC3(CCCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872596660 596982032 /nfs/dbraw/zinc/98/20/32/596982032.db2.gz XDWAZGNOVRHILX-ROUUACIJSA-N 2 2 348.535 1.694 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)ccc2[nH+]1 ZINC000874365819 597037654 /nfs/dbraw/zinc/03/76/54/597037654.db2.gz FAWAQZSHKJALHQ-LSDHHAIUSA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)ccc2[nH+]1 ZINC000874365819 597037658 /nfs/dbraw/zinc/03/76/58/597037658.db2.gz FAWAQZSHKJALHQ-LSDHHAIUSA-N 2 2 341.415 1.276 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)nc[nH+]2)C1 ZINC000872778142 597063962 /nfs/dbraw/zinc/06/39/62/597063962.db2.gz BDYWFNBTYPUEFF-JJXSEGSLSA-N 2 2 331.464 1.357 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)nc[nH+]2)C1 ZINC000872778142 597063966 /nfs/dbraw/zinc/06/39/66/597063966.db2.gz BDYWFNBTYPUEFF-JJXSEGSLSA-N 2 2 331.464 1.357 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000876203952 597134073 /nfs/dbraw/zinc/13/40/73/597134073.db2.gz RUKSGGYVNWUDKB-ZBFHGGJFSA-N 2 2 331.464 1.904 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000876203952 597134075 /nfs/dbraw/zinc/13/40/75/597134075.db2.gz RUKSGGYVNWUDKB-ZBFHGGJFSA-N 2 2 331.464 1.904 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000874829589 597188736 /nfs/dbraw/zinc/18/87/36/597188736.db2.gz MPHLKQMCBVJATB-ZWKOTPCHSA-N 2 2 344.459 1.223 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000874829589 597188739 /nfs/dbraw/zinc/18/87/39/597188739.db2.gz MPHLKQMCBVJATB-ZWKOTPCHSA-N 2 2 344.459 1.223 20 0 EDADLP COc1ccc(C[C@@](C)(CO)[NH2+]Cc2c[nH+]c3n2CCC3)cc1OC ZINC000873192388 597223269 /nfs/dbraw/zinc/22/32/69/597223269.db2.gz FVOZZEZDNNQJRV-IBGZPJMESA-N 2 2 345.443 1.930 20 0 EDADLP c1c(CN2CC[NH+](CCc3cnccn3)CC2)sc2c1C[NH2+]CC2 ZINC000873219426 597231095 /nfs/dbraw/zinc/23/10/95/597231095.db2.gz HCSDLOQEDXHYJN-UHFFFAOYSA-N 2 2 343.500 1.544 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2csc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000876541846 597233463 /nfs/dbraw/zinc/23/34/63/597233463.db2.gz HPHOILZRNYCZPO-VUDBWIFFSA-N 2 2 333.379 1.881 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2csc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000876541846 597233464 /nfs/dbraw/zinc/23/34/64/597233464.db2.gz HPHOILZRNYCZPO-VUDBWIFFSA-N 2 2 333.379 1.881 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873250794 597240266 /nfs/dbraw/zinc/24/02/66/597240266.db2.gz SFSVTYMIXRTHLX-PNBKFKSVSA-N 2 2 338.473 1.348 20 0 EDADLP Brc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1 ZINC000873261033 597241614 /nfs/dbraw/zinc/24/16/14/597241614.db2.gz ANRKJVSZGZTOBE-KGLIPLIRSA-N 2 2 326.238 1.701 20 0 EDADLP c1c[nH]c([C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2cccnc2)n1 ZINC000873290658 597249405 /nfs/dbraw/zinc/24/94/05/597249405.db2.gz BEEYRGRTONWONP-HZPDHXFCSA-N 2 2 327.432 1.642 20 0 EDADLP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000876710549 597297617 /nfs/dbraw/zinc/29/76/17/597297617.db2.gz JRQQOVPLQPBGPB-NVXWUHKLSA-N 2 2 335.423 1.157 20 0 EDADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000876785271 597339243 /nfs/dbraw/zinc/33/92/43/597339243.db2.gz SMXGWPNTSIAFHS-WXSNCHKESA-N 2 2 328.460 1.699 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000876965659 597400354 /nfs/dbraw/zinc/40/03/54/597400354.db2.gz HITDWKJTAGVDOP-QLJMBOKNSA-N 2 2 347.434 1.276 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1c(F)cccc1F ZINC000877340874 597495556 /nfs/dbraw/zinc/49/55/56/597495556.db2.gz OCQDCUZIOPNJLR-GUYCJALGSA-N 2 2 331.366 1.795 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000877434199 597515122 /nfs/dbraw/zinc/51/51/22/597515122.db2.gz PERWACSRCDNHCF-IAGOWNOFSA-N 2 2 333.476 1.940 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000877434199 597515124 /nfs/dbraw/zinc/51/51/24/597515124.db2.gz PERWACSRCDNHCF-IAGOWNOFSA-N 2 2 333.476 1.940 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)CC1 ZINC000877746329 597552553 /nfs/dbraw/zinc/55/25/53/597552553.db2.gz MTRAVDKWMUWOPD-UHFFFAOYSA-N 2 2 331.508 1.986 20 0 EDADLP CCc1oc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1C(=O)OC ZINC000877745896 597552563 /nfs/dbraw/zinc/55/25/63/597552563.db2.gz COEGQWJQWMMYPA-UHFFFAOYSA-N 2 2 349.475 1.840 20 0 EDADLP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)CC1(O)CCCC1 ZINC000878551419 597632270 /nfs/dbraw/zinc/63/22/70/597632270.db2.gz CQDWKHHUZNMDNL-DLBZAZTESA-N 2 2 326.481 1.229 20 0 EDADLP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)CC1(O)CCCC1 ZINC000878551419 597632272 /nfs/dbraw/zinc/63/22/72/597632272.db2.gz CQDWKHHUZNMDNL-DLBZAZTESA-N 2 2 326.481 1.229 20 0 EDADLP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590698 597647378 /nfs/dbraw/zinc/64/73/78/597647378.db2.gz ILKYWIILNQHKBY-IRXDYDNUSA-N 2 2 336.524 1.488 20 0 EDADLP C[C@@H](CCc1cccnc1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371478 597725444 /nfs/dbraw/zinc/72/54/44/597725444.db2.gz MBQXTEYXMVZVSO-ICSRJNTNSA-N 2 2 346.519 1.789 20 0 EDADLP COc1ccc(C[NH+]2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cc1F ZINC000883422880 597741862 /nfs/dbraw/zinc/74/18/62/597741862.db2.gz WZTAALHAZUNHHX-GJZGRUSLSA-N 2 2 325.403 1.652 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000880027073 597814589 /nfs/dbraw/zinc/81/45/89/597814589.db2.gz NHFGYMLRWZZZFR-RKVPGOIHSA-N 2 2 341.496 1.488 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000880027073 597814591 /nfs/dbraw/zinc/81/45/91/597814591.db2.gz NHFGYMLRWZZZFR-RKVPGOIHSA-N 2 2 341.496 1.488 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000880027073 597814595 /nfs/dbraw/zinc/81/45/95/597814595.db2.gz NHFGYMLRWZZZFR-RKVPGOIHSA-N 2 2 341.496 1.488 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000880027073 597814596 /nfs/dbraw/zinc/81/45/96/597814596.db2.gz NHFGYMLRWZZZFR-RKVPGOIHSA-N 2 2 341.496 1.488 20 0 EDADLP CN(C(=O)COC1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000879290742 597877368 /nfs/dbraw/zinc/87/73/68/597877368.db2.gz MQUYEKPITMSMGC-QZTJIDSGSA-N 2 2 337.508 1.961 20 0 EDADLP CN(C(=O)COC1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000879290742 597877371 /nfs/dbraw/zinc/87/73/71/597877371.db2.gz MQUYEKPITMSMGC-QZTJIDSGSA-N 2 2 337.508 1.961 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880263104 597886832 /nfs/dbraw/zinc/88/68/32/597886832.db2.gz GOBTYAQDXJPQQJ-OAHLLOKOSA-N 2 2 348.447 1.052 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880263104 597886833 /nfs/dbraw/zinc/88/68/33/597886833.db2.gz GOBTYAQDXJPQQJ-OAHLLOKOSA-N 2 2 348.447 1.052 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000883795048 597904129 /nfs/dbraw/zinc/90/41/29/597904129.db2.gz STQANAQKBWAPHL-AWEZNQCLSA-N 2 2 334.468 1.714 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000883795048 597904131 /nfs/dbraw/zinc/90/41/31/597904131.db2.gz STQANAQKBWAPHL-AWEZNQCLSA-N 2 2 334.468 1.714 20 0 EDADLP CC1(C)NC(=O)N(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1=O ZINC000880568943 597966542 /nfs/dbraw/zinc/96/65/42/597966542.db2.gz HPZYIQKMQVQZKC-HNNXBMFYSA-N 2 2 341.415 1.544 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1coc(-c2ccccn2)n1 ZINC000880671699 597992713 /nfs/dbraw/zinc/99/27/13/597992713.db2.gz VIGFZLCIBBLSBJ-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1coc(-c2ccccn2)n1 ZINC000880671699 597992715 /nfs/dbraw/zinc/99/27/15/597992715.db2.gz VIGFZLCIBBLSBJ-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000884164044 598011653 /nfs/dbraw/zinc/01/16/53/598011653.db2.gz WLLLHWJNPCPKCF-CFVWQIKISA-N 2 2 334.508 1.746 20 0 EDADLP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000884164044 598011655 /nfs/dbraw/zinc/01/16/55/598011655.db2.gz WLLLHWJNPCPKCF-CFVWQIKISA-N 2 2 334.508 1.746 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000884316938 598063629 /nfs/dbraw/zinc/06/36/29/598063629.db2.gz HEWATAYEDQDLJP-HNNXBMFYSA-N 2 2 340.427 1.689 20 0 EDADLP C[NH+](C)CCCCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001060463486 695241641 /nfs/dbraw/zinc/24/16/41/695241641.db2.gz WMXLFCSMIWEABJ-OAHLLOKOSA-N 2 2 349.479 1.039 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000914277129 695325133 /nfs/dbraw/zinc/32/51/33/695325133.db2.gz BONWNAZAPZYCGL-IRXDYDNUSA-N 2 2 340.512 1.518 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c1 ZINC000939856208 699994653 /nfs/dbraw/zinc/99/46/53/699994653.db2.gz KQJNDMGGCGXCOS-RHSMWYFYSA-N 2 2 328.416 1.528 20 0 EDADLP COCc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1 ZINC000939856616 699995622 /nfs/dbraw/zinc/99/56/22/699995622.db2.gz PARKBFKPZHWWDZ-CRAIPNDOSA-N 2 2 342.443 1.666 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000939858610 699997899 /nfs/dbraw/zinc/99/78/99/699997899.db2.gz ZKHQJALHQLLPIY-GOEBONIOSA-N 2 2 344.463 1.471 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)cc1 ZINC000915042410 695720645 /nfs/dbraw/zinc/72/06/45/695720645.db2.gz YTETXUXVWYCAGT-AZUAARDMSA-N 2 2 345.487 1.348 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)CC2)cc1 ZINC000915042410 695720646 /nfs/dbraw/zinc/72/06/46/695720646.db2.gz YTETXUXVWYCAGT-AZUAARDMSA-N 2 2 345.487 1.348 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)cc[nH+]1 ZINC001060534641 695828316 /nfs/dbraw/zinc/82/83/16/695828316.db2.gz COPJSWNPNRZOJJ-YESZJQIVSA-N 2 2 343.475 1.776 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993352200 696001197 /nfs/dbraw/zinc/00/11/97/696001197.db2.gz PUAYSDDEVHDLEP-ZBFHGGJFSA-N 2 2 330.432 1.872 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC000993352200 696001198 /nfs/dbraw/zinc/00/11/98/696001198.db2.gz PUAYSDDEVHDLEP-ZBFHGGJFSA-N 2 2 330.432 1.872 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1Cc1ccccn1 ZINC000994209607 696582752 /nfs/dbraw/zinc/58/27/52/696582752.db2.gz NQVCSQNEZWSACQ-RHSMWYFYSA-N 2 2 327.432 1.527 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1Cc1ccccn1 ZINC000994209607 696582755 /nfs/dbraw/zinc/58/27/55/696582755.db2.gz NQVCSQNEZWSACQ-RHSMWYFYSA-N 2 2 327.432 1.527 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cncs2)[C@H]1C ZINC000994417168 696833004 /nfs/dbraw/zinc/83/30/04/696833004.db2.gz CHPXORAKHNPCQV-SWLSCSKDSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncs2)[C@H]1C ZINC000994417168 696833008 /nfs/dbraw/zinc/83/30/08/696833008.db2.gz CHPXORAKHNPCQV-SWLSCSKDSA-N 2 2 333.461 1.817 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC001031413985 697061296 /nfs/dbraw/zinc/06/12/96/697061296.db2.gz CSJAXIHODPSUFI-MOPGFXCFSA-N 2 2 343.471 1.585 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+]([C@@H]3CCCc4ccccc43)C2)C1 ZINC001031413985 697061297 /nfs/dbraw/zinc/06/12/97/697061297.db2.gz CSJAXIHODPSUFI-MOPGFXCFSA-N 2 2 343.471 1.585 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)cn1 ZINC001031669138 697464269 /nfs/dbraw/zinc/46/42/69/697464269.db2.gz YAVBOUAVNOLBAS-MSOLQXFVSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)cn1 ZINC001031669138 697464270 /nfs/dbraw/zinc/46/42/70/697464270.db2.gz YAVBOUAVNOLBAS-MSOLQXFVSA-N 2 2 343.475 1.207 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](C[C@@H]4CCCOC4)C3)ccn12 ZINC001031670411 697469496 /nfs/dbraw/zinc/46/94/96/697469496.db2.gz IHUHMULBELBYBC-HNNXBMFYSA-N 2 2 342.443 1.731 20 0 EDADLP CC[C@@H](C[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1)OC ZINC001031685961 697516015 /nfs/dbraw/zinc/51/60/15/697516015.db2.gz HPXXOQRHEFUEEK-YOEHRIQHSA-N 2 2 349.479 1.263 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)nc2)C1 ZINC001031710999 697715561 /nfs/dbraw/zinc/71/55/61/697715561.db2.gz BMFXVIIXBGJEJJ-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(OC)nc2)C1 ZINC001031710999 697715564 /nfs/dbraw/zinc/71/55/64/697715564.db2.gz BMFXVIIXBGJEJJ-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001031711919 697723295 /nfs/dbraw/zinc/72/32/95/697723295.db2.gz NBVRAKHORJYISN-QGZVFWFLSA-N 2 2 334.439 1.643 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001031711919 697723298 /nfs/dbraw/zinc/72/32/98/697723298.db2.gz NBVRAKHORJYISN-QGZVFWFLSA-N 2 2 334.439 1.643 20 0 EDADLP CC1([NH2+]Cc2csnn2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940082895 700177269 /nfs/dbraw/zinc/17/72/69/700177269.db2.gz BQECIRDMMZQYGZ-UHFFFAOYSA-N 2 2 334.449 1.365 20 0 EDADLP Cc1nc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)co1 ZINC000940083413 700177624 /nfs/dbraw/zinc/17/76/24/700177624.db2.gz OJGSXUKLKXGFCF-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943174379 697866537 /nfs/dbraw/zinc/86/65/37/697866537.db2.gz CDATZTRIEYAFCL-MEDUHNTESA-N 2 2 331.420 1.584 20 0 EDADLP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943174379 697866543 /nfs/dbraw/zinc/86/65/43/697866543.db2.gz CDATZTRIEYAFCL-MEDUHNTESA-N 2 2 331.420 1.584 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001031728799 698035745 /nfs/dbraw/zinc/03/57/45/698035745.db2.gz BATVTVKHAAWYNJ-QGZVFWFLSA-N 2 2 348.466 1.747 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001031728799 698035747 /nfs/dbraw/zinc/03/57/47/698035747.db2.gz BATVTVKHAAWYNJ-QGZVFWFLSA-N 2 2 348.466 1.747 20 0 EDADLP Cc1ncsc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943766730 698819472 /nfs/dbraw/zinc/81/94/72/698819472.db2.gz NRRIFQBWYBGKSD-WCQYABFASA-N 2 2 333.461 1.744 20 0 EDADLP Cc1ncsc1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943766730 698819478 /nfs/dbraw/zinc/81/94/78/698819478.db2.gz NRRIFQBWYBGKSD-WCQYABFASA-N 2 2 333.461 1.744 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)ccn1 ZINC000995155299 701563676 /nfs/dbraw/zinc/56/36/76/701563676.db2.gz UADJLPSWOVGNJY-UKRRQHHQSA-N 2 2 343.431 1.431 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031767194 699070393 /nfs/dbraw/zinc/07/03/93/699070393.db2.gz UBRNQFRHPJKDMK-QZTJIDSGSA-N 2 2 346.450 1.786 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncc(F)c2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031767194 699070398 /nfs/dbraw/zinc/07/03/98/699070398.db2.gz UBRNQFRHPJKDMK-QZTJIDSGSA-N 2 2 346.450 1.786 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939055385 699116303 /nfs/dbraw/zinc/11/63/03/699116303.db2.gz XVCLGGMMIRRXNT-ZFWWWQNUSA-N 2 2 349.479 1.471 20 0 EDADLP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nc(C2CC2)no1 ZINC000939064098 699131260 /nfs/dbraw/zinc/13/12/60/699131260.db2.gz QRFFPVFCCLLNDN-IUODEOHRSA-N 2 2 347.463 1.225 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)ncn1 ZINC000995159897 701573667 /nfs/dbraw/zinc/57/36/67/701573667.db2.gz KRHLDQSFHVKPDL-GJZGRUSLSA-N 2 2 342.447 1.136 20 0 EDADLP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1)C1CCC1 ZINC001031783214 699209012 /nfs/dbraw/zinc/20/90/12/699209012.db2.gz UQEGWFVHPKLVDO-SJORKVTESA-N 2 2 346.475 1.309 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001031783223 699209276 /nfs/dbraw/zinc/20/92/76/699209276.db2.gz UYVBRUZWTUTJOE-IRXDYDNUSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000939216080 699388027 /nfs/dbraw/zinc/38/80/27/699388027.db2.gz RNFHPJMQIBQYHL-XJKSGUPXSA-N 2 2 342.447 1.050 20 0 EDADLP C[C@@H](CC(=O)N1CCN(C2C[NH+](CCCF)C2)CC1)n1cc[nH+]c1 ZINC000941587128 701591049 /nfs/dbraw/zinc/59/10/49/701591049.db2.gz LYJACOLHMPAVRW-HNNXBMFYSA-N 2 2 337.443 1.022 20 0 EDADLP Cc1conc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163614 701596310 /nfs/dbraw/zinc/59/63/10/701596310.db2.gz XKJVBMUISTYUAU-KBPBESRZSA-N 2 2 331.420 1.334 20 0 EDADLP CCC(CC)C[NH+]1CC(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000941617874 701597900 /nfs/dbraw/zinc/59/79/00/701597900.db2.gz KETCBEGKXUYGMH-UHFFFAOYSA-N 2 2 333.480 1.217 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939412965 699566322 /nfs/dbraw/zinc/56/63/22/699566322.db2.gz IEWCCIJIYAWDBI-BXUZGUMPSA-N 2 2 334.370 1.867 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)o1 ZINC000939546160 699688137 /nfs/dbraw/zinc/68/81/37/699688137.db2.gz RAJFZKFTDXDRDC-UONOGXRCSA-N 2 2 347.463 1.225 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)co1 ZINC000939550705 699699986 /nfs/dbraw/zinc/69/99/86/699699986.db2.gz OVBRWXMFDPRELO-MLGOLLRUSA-N 2 2 343.431 1.694 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)n1 ZINC000939622101 699758970 /nfs/dbraw/zinc/75/89/70/699758970.db2.gz IRMDGDJJLBGDSM-QMTHXVAHSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000939623473 699760984 /nfs/dbraw/zinc/76/09/84/699760984.db2.gz SFLYGGDNEZQUAP-MEDUHNTESA-N 2 2 331.395 1.431 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000939627247 699764984 /nfs/dbraw/zinc/76/49/84/699764984.db2.gz RAFZTGFHIUZUJW-FZKQIMNGSA-N 2 2 342.443 1.390 20 0 EDADLP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940145466 700275715 /nfs/dbraw/zinc/27/57/15/700275715.db2.gz XAMLSWCWSHZSHC-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940145466 700275721 /nfs/dbraw/zinc/27/57/21/700275721.db2.gz XAMLSWCWSHZSHC-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000940228966 700394277 /nfs/dbraw/zinc/39/42/77/700394277.db2.gz VYNFWOOSDOJHLB-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP CCc1noc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000940354277 700537554 /nfs/dbraw/zinc/53/75/54/700537554.db2.gz ZLXMVOMIQKMDCQ-UHFFFAOYSA-N 2 2 332.408 1.069 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940371344 700553855 /nfs/dbraw/zinc/55/38/55/700553855.db2.gz KYBVZRKQEPMBLH-LBPRGKRZSA-N 2 2 348.476 1.611 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940371344 700553857 /nfs/dbraw/zinc/55/38/57/700553857.db2.gz KYBVZRKQEPMBLH-LBPRGKRZSA-N 2 2 348.476 1.611 20 0 EDADLP COc1ncccc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940396878 700593813 /nfs/dbraw/zinc/59/38/13/700593813.db2.gz ACISWOZGVJVHLS-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP CCn1cc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)nn1 ZINC000940441351 700642666 /nfs/dbraw/zinc/64/26/66/700642666.db2.gz FFMOUHIEXNDFRY-UHFFFAOYSA-N 2 2 345.451 1.043 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940441733 700643466 /nfs/dbraw/zinc/64/34/66/700643466.db2.gz RDERKNSCCBPAQP-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940445149 700647148 /nfs/dbraw/zinc/64/71/48/700647148.db2.gz OUQIDJNQMKEVJS-UHFFFAOYSA-N 2 2 347.488 1.980 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482688 700670674 /nfs/dbraw/zinc/67/06/74/700670674.db2.gz LUWBFLMYSYCLMY-UHFFFAOYSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)co1 ZINC000940624878 700786361 /nfs/dbraw/zinc/78/63/61/700786361.db2.gz LHKFNOHSMJKUPY-HZPDHXFCSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)co1 ZINC000940624878 700786358 /nfs/dbraw/zinc/78/63/58/700786358.db2.gz LHKFNOHSMJKUPY-HZPDHXFCSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)co1 ZINC000940624878 700786359 /nfs/dbraw/zinc/78/63/59/700786359.db2.gz LHKFNOHSMJKUPY-HZPDHXFCSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)co1 ZINC000940624878 700786360 /nfs/dbraw/zinc/78/63/60/700786360.db2.gz LHKFNOHSMJKUPY-HZPDHXFCSA-N 2 2 334.464 1.794 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940626081 700788090 /nfs/dbraw/zinc/78/80/90/700788090.db2.gz ZAFZPLMSPWBBLG-DLBZAZTESA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940626081 700788091 /nfs/dbraw/zinc/78/80/91/700788091.db2.gz ZAFZPLMSPWBBLG-DLBZAZTESA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940626081 700788092 /nfs/dbraw/zinc/78/80/92/700788092.db2.gz ZAFZPLMSPWBBLG-DLBZAZTESA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940626081 700788093 /nfs/dbraw/zinc/78/80/93/700788093.db2.gz ZAFZPLMSPWBBLG-DLBZAZTESA-N 2 2 347.507 1.714 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940625886 700788133 /nfs/dbraw/zinc/78/81/33/700788133.db2.gz WJMRZMIQJUATAY-ZIAGYGMSSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)n1 ZINC000940625886 700788134 /nfs/dbraw/zinc/78/81/34/700788134.db2.gz WJMRZMIQJUATAY-ZIAGYGMSSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)n1 ZINC000940625886 700788135 /nfs/dbraw/zinc/78/81/35/700788135.db2.gz WJMRZMIQJUATAY-ZIAGYGMSSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)n1 ZINC000940625886 700788136 /nfs/dbraw/zinc/78/81/36/700788136.db2.gz WJMRZMIQJUATAY-ZIAGYGMSSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995105350 700919651 /nfs/dbraw/zinc/91/96/51/700919651.db2.gz FWEVJRVLFDTKFM-RYUDHWBXSA-N 2 2 334.449 1.187 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C)C2 ZINC000940846569 700941569 /nfs/dbraw/zinc/94/15/69/700941569.db2.gz 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Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCCO2)c[nH+]1 ZINC001032469456 703682540 /nfs/dbraw/zinc/68/25/40/703682540.db2.gz NGBZOCGXAVUCSW-YESZJQIVSA-N 2 2 346.475 1.781 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCCO2)no1 ZINC001032488674 703763625 /nfs/dbraw/zinc/76/36/25/703763625.db2.gz FOCKVUMASBWKSW-SOUVJXGZSA-N 2 2 348.447 1.204 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCCO2)no1 ZINC001032488674 703763627 /nfs/dbraw/zinc/76/36/27/703763627.db2.gz FOCKVUMASBWKSW-SOUVJXGZSA-N 2 2 348.447 1.204 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH+](CCCO)CC1 ZINC000997645525 703953930 /nfs/dbraw/zinc/95/39/30/703953930.db2.gz IGYNLSIAHJAUPB-GOEBONIOSA-N 2 2 334.464 1.045 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001004210476 703955057 /nfs/dbraw/zinc/95/50/57/703955057.db2.gz WDUWBDXZRCMGSN-ZBFHGGJFSA-N 2 2 348.495 1.331 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC001004210476 703955060 /nfs/dbraw/zinc/95/50/60/703955060.db2.gz WDUWBDXZRCMGSN-ZBFHGGJFSA-N 2 2 348.495 1.331 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC([NH2+]CC2CC2)C1 ZINC000999288318 706782349 /nfs/dbraw/zinc/78/23/49/706782349.db2.gz UVAJRQSJKKCYQZ-VMWRSERWSA-N 2 2 335.492 1.619 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC([NH2+]CC2CC2)C1 ZINC000999288318 706782352 /nfs/dbraw/zinc/78/23/52/706782352.db2.gz UVAJRQSJKKCYQZ-VMWRSERWSA-N 2 2 335.492 1.619 20 0 EDADLP CO[C@@H](C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1)c1ccccc1 ZINC001004257752 704085383 /nfs/dbraw/zinc/08/53/83/704085383.db2.gz KTEIIWHYMZQRML-SFHVURJKSA-N 2 2 342.443 1.851 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001033080737 704135112 /nfs/dbraw/zinc/13/51/12/704135112.db2.gz ITISGKUMMCKGMN-IAGOWNOFSA-N 2 2 332.448 1.358 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)co1 ZINC001033080737 704135115 /nfs/dbraw/zinc/13/51/15/704135115.db2.gz ITISGKUMMCKGMN-IAGOWNOFSA-N 2 2 332.448 1.358 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000922768165 704326403 /nfs/dbraw/zinc/32/64/03/704326403.db2.gz CIUMJCIMGKMEJB-HNNXBMFYSA-N 2 2 338.496 1.413 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)C1CCCCC1 ZINC001032551476 704691910 /nfs/dbraw/zinc/69/19/10/704691910.db2.gz UEOAYOZPTIGDPZ-BZSNNMDCSA-N 2 2 346.475 1.500 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)C1CCCCC1 ZINC001032551476 704691912 /nfs/dbraw/zinc/69/19/12/704691912.db2.gz UEOAYOZPTIGDPZ-BZSNNMDCSA-N 2 2 346.475 1.500 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@@H]1C ZINC000944964975 704834217 /nfs/dbraw/zinc/83/42/17/704834217.db2.gz NUBAQRIJLUDCDP-SUMWQHHRSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@@H]1C ZINC000944964975 704834221 /nfs/dbraw/zinc/83/42/21/704834221.db2.gz NUBAQRIJLUDCDP-SUMWQHHRSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2nccs2)C[C@@H]1C ZINC000944965140 704834721 /nfs/dbraw/zinc/83/47/21/704834721.db2.gz RCWHZYOPVPVPDN-GXTWGEPZSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2nccs2)C[C@@H]1C ZINC000944965140 704834726 /nfs/dbraw/zinc/83/47/26/704834726.db2.gz RCWHZYOPVPVPDN-GXTWGEPZSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1conc1C[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000997927586 705031795 /nfs/dbraw/zinc/03/17/95/705031795.db2.gz CSVYPKKAHBHYPQ-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000997952331 705073611 /nfs/dbraw/zinc/07/36/11/705073611.db2.gz LIJZXXGOXVFOMT-QGZVFWFLSA-N 2 2 334.464 1.671 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000997953572 705082101 /nfs/dbraw/zinc/08/21/01/705082101.db2.gz VXTCSCCLBPCLBB-UHFFFAOYSA-N 2 2 342.447 1.400 20 0 EDADLP C[C@@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)CCO1 ZINC000997953645 705082734 /nfs/dbraw/zinc/08/27/34/705082734.db2.gz XFVVPQMSESHMCD-AEFFLSMTSA-N 2 2 348.491 1.917 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC000997960372 705093383 /nfs/dbraw/zinc/09/33/83/705093383.db2.gz LFRRSACOMSQGOU-TWZSPHTKSA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000997960372 705093386 /nfs/dbraw/zinc/09/33/86/705093386.db2.gz LFRRSACOMSQGOU-TWZSPHTKSA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000997960372 705093389 /nfs/dbraw/zinc/09/33/89/705093389.db2.gz LFRRSACOMSQGOU-TWZSPHTKSA-N 2 2 343.899 1.773 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC000997960372 705093390 /nfs/dbraw/zinc/09/33/90/705093390.db2.gz LFRRSACOMSQGOU-TWZSPHTKSA-N 2 2 343.899 1.773 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998095216 705326316 /nfs/dbraw/zinc/32/63/16/705326316.db2.gz SXGNGTBDAKVPPS-BRWVUGGUSA-N 2 2 346.475 1.388 20 0 EDADLP C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)c1cnccn1 ZINC000998114502 705364934 /nfs/dbraw/zinc/36/49/34/705364934.db2.gz JBVCWGSNGRKGSS-CYBMUJFWSA-N 2 2 328.420 1.332 20 0 EDADLP CCCc1noc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000998115195 705365996 /nfs/dbraw/zinc/36/59/96/705365996.db2.gz NDUKQYLMFPTNFT-UHFFFAOYSA-N 2 2 346.435 1.316 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998126746 705384503 /nfs/dbraw/zinc/38/45/03/705384503.db2.gz PYMYOUMTAQIMDC-BZUAXINKSA-N 2 2 334.464 1.219 20 0 EDADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998126746 705384506 /nfs/dbraw/zinc/38/45/06/705384506.db2.gz PYMYOUMTAQIMDC-BZUAXINKSA-N 2 2 334.464 1.219 20 0 EDADLP C[C@H](CC(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1)n1cc[nH+]c1 ZINC000998127092 705389516 /nfs/dbraw/zinc/38/95/16/705389516.db2.gz PZHPHXQERYLCTM-CYBMUJFWSA-N 2 2 348.476 1.714 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998140023 705406686 /nfs/dbraw/zinc/40/66/86/705406686.db2.gz ZCKQWAMLYIXNSY-AWEZNQCLSA-N 2 2 344.463 1.350 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998140023 705406688 /nfs/dbraw/zinc/40/66/88/705406688.db2.gz ZCKQWAMLYIXNSY-AWEZNQCLSA-N 2 2 344.463 1.350 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602742 705409168 /nfs/dbraw/zinc/40/91/68/705409168.db2.gz YWZYIPXIZQTUQI-HOTGVXAUSA-N 2 2 348.516 1.887 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602742 705409172 /nfs/dbraw/zinc/40/91/72/705409172.db2.gz YWZYIPXIZQTUQI-HOTGVXAUSA-N 2 2 348.516 1.887 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000998189883 705495379 /nfs/dbraw/zinc/49/53/79/705495379.db2.gz OFHWFKALEYHDDL-ZBFHGGJFSA-N 2 2 335.452 1.224 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000998189883 705495380 /nfs/dbraw/zinc/49/53/80/705495380.db2.gz OFHWFKALEYHDDL-ZBFHGGJFSA-N 2 2 335.452 1.224 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998189883 705495384 /nfs/dbraw/zinc/49/53/84/705495384.db2.gz OFHWFKALEYHDDL-ZBFHGGJFSA-N 2 2 335.452 1.224 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000998189883 705495388 /nfs/dbraw/zinc/49/53/88/705495388.db2.gz OFHWFKALEYHDDL-ZBFHGGJFSA-N 2 2 335.452 1.224 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)s1 ZINC000998221717 705547083 /nfs/dbraw/zinc/54/70/83/705547083.db2.gz GRLXDVFDMSILNP-UHFFFAOYSA-N 2 2 347.488 1.756 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)[nH]1 ZINC000998243156 705586929 /nfs/dbraw/zinc/58/69/29/705586929.db2.gz DBEWIQBCTTWEJU-GFCCVEGCSA-N 2 2 345.451 1.277 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000998256458 705617554 /nfs/dbraw/zinc/61/75/54/705617554.db2.gz XPTFUNOIFSIXDI-UHFFFAOYSA-N 2 2 348.476 1.233 20 0 EDADLP CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1C(F)(F)F ZINC000998278566 705666208 /nfs/dbraw/zinc/66/62/08/705666208.db2.gz HSRKMZNFOJXQGA-NWDGAFQWSA-N 2 2 332.370 1.742 20 0 EDADLP CC(C)n1ccc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000998298405 705701691 /nfs/dbraw/zinc/70/16/91/705701691.db2.gz XNKKGFGIJVDDCJ-UHFFFAOYSA-N 2 2 344.463 1.689 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C3CCC3)no2)C1 ZINC000998730185 706162127 /nfs/dbraw/zinc/16/21/27/706162127.db2.gz JEUIARZIPFZYDK-LSDHHAIUSA-N 2 2 347.463 1.512 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]Cc2nccs2)C1 ZINC000999007884 706427806 /nfs/dbraw/zinc/42/78/06/706427806.db2.gz TWWNBQAPPRXTPT-OPFPJEHXSA-N 2 2 345.472 1.681 20 0 EDADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999008323 706427916 /nfs/dbraw/zinc/42/79/16/706427916.db2.gz VRQFSMYKYNBGOK-ODIFPOPNSA-N 2 2 339.443 1.620 20 0 EDADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]Cc2ccns2)C1 ZINC000999003128 706442815 /nfs/dbraw/zinc/44/28/15/706442815.db2.gz FKPAPQAEKZBCOH-IYXRBSQSSA-N 2 2 345.472 1.681 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)cs1 ZINC000999045435 706486748 /nfs/dbraw/zinc/48/67/48/706486748.db2.gz PKTLCKIASZSSFV-AWEZNQCLSA-N 2 2 347.488 1.931 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000999045908 706487571 /nfs/dbraw/zinc/48/75/71/706487571.db2.gz RYWYRPQTVPTTOJ-PCKAHOCUSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000999127547 706529064 /nfs/dbraw/zinc/52/90/64/706529064.db2.gz RXDBHXDRYHMKIC-UHFFFAOYSA-N 2 2 328.420 1.069 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999354792 706843888 /nfs/dbraw/zinc/84/38/88/706843888.db2.gz SRDKNMMTKBLTSJ-GXTWGEPZSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999372060 706886674 /nfs/dbraw/zinc/88/66/74/706886674.db2.gz NVVJIJDCFNJDJK-UKRRQHHQSA-N 2 2 344.419 1.233 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000999475419 706984005 /nfs/dbraw/zinc/98/40/05/706984005.db2.gz ZADYEXFEHDYMAF-BDVYOWHSSA-N 2 2 346.406 1.404 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)[nH]1 ZINC000999506934 707004386 /nfs/dbraw/zinc/00/43/86/707004386.db2.gz CMXPNTSPDIRGJC-HUUCEWRRSA-N 2 2 348.495 1.493 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)[nH]1 ZINC000999506934 707004388 /nfs/dbraw/zinc/00/43/88/707004388.db2.gz CMXPNTSPDIRGJC-HUUCEWRRSA-N 2 2 348.495 1.493 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999537758 707038405 /nfs/dbraw/zinc/03/84/05/707038405.db2.gz UEVBBKANAHBLMJ-ZBFHGGJFSA-N 2 2 343.431 1.523 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](CNc3cc(C)[nH+]c(C)n3)C2)C1 ZINC001060883140 707079549 /nfs/dbraw/zinc/07/95/49/707079549.db2.gz ZBZWSEQOSJIXIJ-HZPDHXFCSA-N 2 2 347.463 1.075 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](CNc3cc(C)[nH+]c(C)n3)C2)C1 ZINC001060883140 707079553 /nfs/dbraw/zinc/07/95/53/707079553.db2.gz ZBZWSEQOSJIXIJ-HZPDHXFCSA-N 2 2 347.463 1.075 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](CNc3cc(C)[nH+]c(C)n3)C2)C1 ZINC001060883138 707079662 /nfs/dbraw/zinc/07/96/62/707079662.db2.gz ZBZWSEQOSJIXIJ-CVEARBPZSA-N 2 2 347.463 1.075 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](CNc3cc(C)[nH+]c(C)n3)C2)C1 ZINC001060883138 707079663 /nfs/dbraw/zinc/07/96/63/707079663.db2.gz ZBZWSEQOSJIXIJ-CVEARBPZSA-N 2 2 347.463 1.075 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946693972 707147992 /nfs/dbraw/zinc/14/79/92/707147992.db2.gz IQMRKVFBTNXMRI-IYBDPMFKSA-N 2 2 334.464 1.170 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]2C1 ZINC000946693972 707147996 /nfs/dbraw/zinc/14/79/96/707147996.db2.gz IQMRKVFBTNXMRI-IYBDPMFKSA-N 2 2 334.464 1.170 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999687671 707241417 /nfs/dbraw/zinc/24/14/17/707241417.db2.gz FTOZZZHDUXXTKN-LEOMRAHMSA-N 2 2 348.491 1.483 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC000999722227 707262139 /nfs/dbraw/zinc/26/21/39/707262139.db2.gz ANMUAJROUQGWJZ-OCCSQVGLSA-N 2 2 332.408 1.225 20 0 EDADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946736568 707302917 /nfs/dbraw/zinc/30/29/17/707302917.db2.gz ZMHGVBXINDQGIK-SCTDSRPQSA-N 2 2 349.519 1.820 20 0 EDADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)CC[C@@H]2C1 ZINC000946736568 707302922 /nfs/dbraw/zinc/30/29/22/707302922.db2.gz ZMHGVBXINDQGIK-SCTDSRPQSA-N 2 2 349.519 1.820 20 0 EDADLP CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946736568 707302927 /nfs/dbraw/zinc/30/29/27/707302927.db2.gz ZMHGVBXINDQGIK-SCTDSRPQSA-N 2 2 349.519 1.820 20 0 EDADLP CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC[C@@H]2C1 ZINC000946736568 707302930 /nfs/dbraw/zinc/30/29/30/707302930.db2.gz ZMHGVBXINDQGIK-SCTDSRPQSA-N 2 2 349.519 1.820 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC001033268303 707309246 /nfs/dbraw/zinc/30/92/46/707309246.db2.gz YCGYAIOUNOQJHB-OAHLLOKOSA-N 2 2 347.488 1.998 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC001033268303 707309248 /nfs/dbraw/zinc/30/92/48/707309248.db2.gz YCGYAIOUNOQJHB-OAHLLOKOSA-N 2 2 347.488 1.998 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000999803138 707374456 /nfs/dbraw/zinc/37/44/56/707374456.db2.gz YPKXNEPYPJFPOM-ROUUACIJSA-N 2 2 335.492 1.478 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000999803138 707374462 /nfs/dbraw/zinc/37/44/62/707374462.db2.gz YPKXNEPYPJFPOM-ROUUACIJSA-N 2 2 335.492 1.478 20 0 EDADLP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033294749 707419948 /nfs/dbraw/zinc/41/99/48/707419948.db2.gz DIYSYHZRSNKAOE-FUHWJXTLSA-N 2 2 345.491 1.327 20 0 EDADLP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033294749 707419954 /nfs/dbraw/zinc/41/99/54/707419954.db2.gz DIYSYHZRSNKAOE-FUHWJXTLSA-N 2 2 345.491 1.327 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033298081 707435820 /nfs/dbraw/zinc/43/58/20/707435820.db2.gz ZNEJEYKAEWATKD-IRXDYDNUSA-N 2 2 341.471 1.380 20 0 EDADLP CN(C(=O)[C@@H]1COCC[NH+]1CC1CCC1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033298081 707435823 /nfs/dbraw/zinc/43/58/23/707435823.db2.gz ZNEJEYKAEWATKD-IRXDYDNUSA-N 2 2 341.471 1.380 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[C@H]1CC[NH+](CCCF)C1 ZINC001033298081 707435826 /nfs/dbraw/zinc/43/58/26/707435826.db2.gz ZNEJEYKAEWATKD-IRXDYDNUSA-N 2 2 341.471 1.380 20 0 EDADLP CN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[C@H]1CC[NH+](CCCF)C1 ZINC001033298081 707435830 /nfs/dbraw/zinc/43/58/30/707435830.db2.gz ZNEJEYKAEWATKD-IRXDYDNUSA-N 2 2 341.471 1.380 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)ccn1 ZINC001033199428 707448025 /nfs/dbraw/zinc/44/80/25/707448025.db2.gz SXRLWANNSXAHMZ-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)ccn1 ZINC001033199428 707448026 /nfs/dbraw/zinc/44/80/26/707448026.db2.gz SXRLWANNSXAHMZ-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC001033199428 707448027 /nfs/dbraw/zinc/44/80/27/707448027.db2.gz SXRLWANNSXAHMZ-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)ccn1 ZINC001033199428 707448028 /nfs/dbraw/zinc/44/80/28/707448028.db2.gz SXRLWANNSXAHMZ-DLBZAZTESA-N 2 2 346.475 1.607 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001033199567 707450263 /nfs/dbraw/zinc/45/02/63/707450263.db2.gz VOOGZNUQCJDOIZ-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001033199567 707450266 /nfs/dbraw/zinc/45/02/66/707450266.db2.gz VOOGZNUQCJDOIZ-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033199567 707450269 /nfs/dbraw/zinc/45/02/69/707450269.db2.gz VOOGZNUQCJDOIZ-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(F)cn2)C1 ZINC001033199567 707450271 /nfs/dbraw/zinc/45/02/71/707450271.db2.gz VOOGZNUQCJDOIZ-IRXDYDNUSA-N 2 2 334.439 1.738 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)on1 ZINC001033198094 707460034 /nfs/dbraw/zinc/46/00/34/707460034.db2.gz KJZGLASLUNPZAF-HIFRSBDPSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)on1 ZINC001033198094 707460037 /nfs/dbraw/zinc/46/00/37/707460037.db2.gz KJZGLASLUNPZAF-HIFRSBDPSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)on1 ZINC001033198094 707460040 /nfs/dbraw/zinc/46/00/40/707460040.db2.gz KJZGLASLUNPZAF-HIFRSBDPSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)on1 ZINC001033198094 707460043 /nfs/dbraw/zinc/46/00/43/707460043.db2.gz KJZGLASLUNPZAF-HIFRSBDPSA-N 2 2 336.436 1.200 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC000999916027 707557918 /nfs/dbraw/zinc/55/79/18/707557918.db2.gz NBQCDSBCPCUNHZ-UHFFFAOYSA-N 2 2 334.370 1.941 20 0 EDADLP Cc1cccc(NCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)[nH+]1 ZINC000074085688 707560423 /nfs/dbraw/zinc/56/04/23/707560423.db2.gz VDQJYVHTTFFLSN-KRWDZBQOSA-N 2 2 339.443 1.978 20 0 EDADLP Cc1cccc(NCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)[nH+]1 ZINC000074085688 707560428 /nfs/dbraw/zinc/56/04/28/707560428.db2.gz VDQJYVHTTFFLSN-KRWDZBQOSA-N 2 2 339.443 1.978 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999972737 707584603 /nfs/dbraw/zinc/58/46/03/707584603.db2.gz INKRPPZPFFAEHS-JKSUJKDBSA-N 2 2 349.479 1.581 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)o3)C2)C1 ZINC000999972737 707584606 /nfs/dbraw/zinc/58/46/06/707584606.db2.gz INKRPPZPFFAEHS-JKSUJKDBSA-N 2 2 349.479 1.581 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033206523 707636872 /nfs/dbraw/zinc/63/68/72/707636872.db2.gz KIUMPCFIGSELNI-IRXDYDNUSA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033206523 707636875 /nfs/dbraw/zinc/63/68/75/707636875.db2.gz KIUMPCFIGSELNI-IRXDYDNUSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001033361424 707646110 /nfs/dbraw/zinc/64/61/10/707646110.db2.gz MYWDCBOSJVLQTI-MPGHIAIKSA-N 2 2 348.466 1.984 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)CC[N@H+]1C ZINC001033361424 707646112 /nfs/dbraw/zinc/64/61/12/707646112.db2.gz MYWDCBOSJVLQTI-MPGHIAIKSA-N 2 2 348.466 1.984 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001033361424 707646114 /nfs/dbraw/zinc/64/61/14/707646114.db2.gz MYWDCBOSJVLQTI-MPGHIAIKSA-N 2 2 348.466 1.984 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)CC[NH+]1C ZINC001033361424 707646116 /nfs/dbraw/zinc/64/61/16/707646116.db2.gz MYWDCBOSJVLQTI-MPGHIAIKSA-N 2 2 348.466 1.984 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033417935 707801054 /nfs/dbraw/zinc/80/10/54/707801054.db2.gz BIPWTBUIINXZSF-OCCSQVGLSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001033417935 707801057 /nfs/dbraw/zinc/80/10/57/707801057.db2.gz BIPWTBUIINXZSF-OCCSQVGLSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033417935 707801060 /nfs/dbraw/zinc/80/10/60/707801060.db2.gz BIPWTBUIINXZSF-OCCSQVGLSA-N 2 2 337.493 1.221 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001033417935 707801062 /nfs/dbraw/zinc/80/10/62/707801062.db2.gz BIPWTBUIINXZSF-OCCSQVGLSA-N 2 2 337.493 1.221 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420311 707830814 /nfs/dbraw/zinc/83/08/14/707830814.db2.gz NVVAREWIWKUNCK-RDJZCZTQSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001033420311 707830816 /nfs/dbraw/zinc/83/08/16/707830816.db2.gz NVVAREWIWKUNCK-RDJZCZTQSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001033420311 707830819 /nfs/dbraw/zinc/83/08/19/707830819.db2.gz NVVAREWIWKUNCK-RDJZCZTQSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420311 707830821 /nfs/dbraw/zinc/83/08/21/707830821.db2.gz NVVAREWIWKUNCK-RDJZCZTQSA-N 2 2 346.475 1.465 20 0 EDADLP O=C(NC1(C2CC[NH+](CCO)CC2)CC1)c1cccc2[nH+]ccn21 ZINC001000211741 707868768 /nfs/dbraw/zinc/86/87/68/707868768.db2.gz UJXIRWCVEMMCAV-UHFFFAOYSA-N 2 2 328.416 1.301 20 0 EDADLP Cc1nnc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)o1 ZINC001004995488 707883059 /nfs/dbraw/zinc/88/30/59/707883059.db2.gz XLOXCXLEPCEOHV-DOMZBBRYSA-N 2 2 346.435 1.442 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452890 707896442 /nfs/dbraw/zinc/89/64/42/707896442.db2.gz POHCSZXUBALOLC-AWEZNQCLSA-N 2 2 333.461 1.493 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452890 707896448 /nfs/dbraw/zinc/89/64/48/707896448.db2.gz POHCSZXUBALOLC-AWEZNQCLSA-N 2 2 333.461 1.493 20 0 EDADLP c1cc2c(c(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)c1)OCC2 ZINC000921746569 707967470 /nfs/dbraw/zinc/96/74/70/707967470.db2.gz FHRXAUYZPAWGFZ-GOSISDBHSA-N 2 2 331.460 1.118 20 0 EDADLP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n(C2CCC2)n1 ZINC000921746619 707967736 /nfs/dbraw/zinc/96/77/36/707967736.db2.gz GQQOOSFYDYMFSF-MRXNPFEDSA-N 2 2 333.480 1.104 20 0 EDADLP c1cc2c(c(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)n1)CCCC2 ZINC000921748288 707970646 /nfs/dbraw/zinc/97/06/46/707970646.db2.gz UZECPQZLFFDIFL-SFHVURJKSA-N 2 2 344.503 1.457 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033587525 708278930 /nfs/dbraw/zinc/27/89/30/708278930.db2.gz GMEYRGCNLNPQGA-CQSZACIVSA-N 2 2 347.488 1.503 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033587525 708278931 /nfs/dbraw/zinc/27/89/31/708278931.db2.gz GMEYRGCNLNPQGA-CQSZACIVSA-N 2 2 347.488 1.503 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033591168 708288334 /nfs/dbraw/zinc/28/83/34/708288334.db2.gz TUENYRVKANTSLA-GJZGRUSLSA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033591168 708288335 /nfs/dbraw/zinc/28/83/35/708288335.db2.gz TUENYRVKANTSLA-GJZGRUSLSA-N 2 2 334.464 1.789 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033593127 708292568 /nfs/dbraw/zinc/29/25/68/708292568.db2.gz GIAQUMLWCJTWFZ-CQSZACIVSA-N 2 2 345.447 1.554 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033593127 708292570 /nfs/dbraw/zinc/29/25/70/708292570.db2.gz GIAQUMLWCJTWFZ-CQSZACIVSA-N 2 2 345.447 1.554 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033596128 708300790 /nfs/dbraw/zinc/30/07/90/708300790.db2.gz WHQONIFZTOFRMB-QGZVFWFLSA-N 2 2 345.491 1.593 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033596128 708300794 /nfs/dbraw/zinc/30/07/94/708300794.db2.gz WHQONIFZTOFRMB-QGZVFWFLSA-N 2 2 345.491 1.593 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC001033620742 708353447 /nfs/dbraw/zinc/35/34/47/708353447.db2.gz SBZZCTZNUFVSIE-AWEZNQCLSA-N 2 2 331.420 1.598 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC001033620742 708353448 /nfs/dbraw/zinc/35/34/48/708353448.db2.gz SBZZCTZNUFVSIE-AWEZNQCLSA-N 2 2 331.420 1.598 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)o1 ZINC001033701319 708527717 /nfs/dbraw/zinc/52/77/17/708527717.db2.gz AXIHILDZDYKYHF-CQSZACIVSA-N 2 2 331.420 1.475 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)o1 ZINC001033701319 708527720 /nfs/dbraw/zinc/52/77/20/708527720.db2.gz AXIHILDZDYKYHF-CQSZACIVSA-N 2 2 331.420 1.475 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033703859 708532557 /nfs/dbraw/zinc/53/25/57/708532557.db2.gz JIKVLOMDQGPXNK-QGZVFWFLSA-N 2 2 328.416 1.108 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001033703859 708532560 /nfs/dbraw/zinc/53/25/60/708532560.db2.gz JIKVLOMDQGPXNK-QGZVFWFLSA-N 2 2 328.416 1.108 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC001033705017 708534435 /nfs/dbraw/zinc/53/44/35/708534435.db2.gz CORXCKLKAFOEEM-YOEHRIQHSA-N 2 2 346.406 1.289 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC001033705017 708534436 /nfs/dbraw/zinc/53/44/36/708534436.db2.gz CORXCKLKAFOEEM-YOEHRIQHSA-N 2 2 346.406 1.289 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033707759 708540326 /nfs/dbraw/zinc/54/03/26/708540326.db2.gz TWQJHTJRNXFMDL-INIZCTEOSA-N 2 2 328.416 1.495 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033707759 708540328 /nfs/dbraw/zinc/54/03/28/708540328.db2.gz TWQJHTJRNXFMDL-INIZCTEOSA-N 2 2 328.416 1.495 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001033790085 708701001 /nfs/dbraw/zinc/70/10/01/708701001.db2.gz SWHORBWLVVYPNC-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001033790085 708701002 /nfs/dbraw/zinc/70/10/02/708701002.db2.gz SWHORBWLVVYPNC-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001033790085 708701004 /nfs/dbraw/zinc/70/10/04/708701004.db2.gz SWHORBWLVVYPNC-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2C)C1 ZINC001033790085 708701006 /nfs/dbraw/zinc/70/10/06/708701006.db2.gz SWHORBWLVVYPNC-RBUKOAKNSA-N 2 2 345.487 1.748 20 0 EDADLP Cn1nc2c(c1C[NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)COCC2 ZINC000921861526 708703865 /nfs/dbraw/zinc/70/38/65/708703865.db2.gz XBSAJQFTSYEILR-PKOBYXMFSA-N 2 2 348.491 1.350 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061706034 708976733 /nfs/dbraw/zinc/97/67/33/708976733.db2.gz MZSGTEYQNZTQID-IRXDYDNUSA-N 2 2 345.491 1.829 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001061706034 708976735 /nfs/dbraw/zinc/97/67/35/708976735.db2.gz MZSGTEYQNZTQID-IRXDYDNUSA-N 2 2 345.491 1.829 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001034015108 709230985 /nfs/dbraw/zinc/23/09/85/709230985.db2.gz KUKLKHAQNLIPMO-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001034015108 709230988 /nfs/dbraw/zinc/23/09/88/709230988.db2.gz KUKLKHAQNLIPMO-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001034018413 709235940 /nfs/dbraw/zinc/23/59/40/709235940.db2.gz YLNOIQGVYLHNQX-QGZVFWFLSA-N 2 2 345.491 1.422 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001034018413 709235944 /nfs/dbraw/zinc/23/59/44/709235944.db2.gz YLNOIQGVYLHNQX-QGZVFWFLSA-N 2 2 345.491 1.422 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001002809620 709411575 /nfs/dbraw/zinc/41/15/75/709411575.db2.gz IPUGQEMEDSRLJH-ZFWWWQNUSA-N 2 2 349.504 1.493 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001002809620 709411577 /nfs/dbraw/zinc/41/15/77/709411577.db2.gz IPUGQEMEDSRLJH-ZFWWWQNUSA-N 2 2 349.504 1.493 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001002861145 709464593 /nfs/dbraw/zinc/46/45/93/709464593.db2.gz TUKGVENDIMJTPE-UMVBOHGHSA-N 2 2 349.479 1.614 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001002861145 709464594 /nfs/dbraw/zinc/46/45/94/709464594.db2.gz TUKGVENDIMJTPE-UMVBOHGHSA-N 2 2 349.479 1.614 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3nnc(C)[nH]3)CC2)CC[N@@H+]1C ZINC001002859235 709467050 /nfs/dbraw/zinc/46/70/50/709467050.db2.gz LZVLAGPFOXTRNV-VBNZEHGJSA-N 2 2 348.495 1.485 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3nnc(C)[nH]3)CC2)CC[N@H+]1C ZINC001002859235 709467051 /nfs/dbraw/zinc/46/70/51/709467051.db2.gz LZVLAGPFOXTRNV-VBNZEHGJSA-N 2 2 348.495 1.485 20 0 EDADLP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccnc1 ZINC000922077720 709590289 /nfs/dbraw/zinc/59/02/89/709590289.db2.gz OYKBXHDMFZADKU-CVEARBPZSA-N 2 2 342.447 1.585 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260148 709646780 /nfs/dbraw/zinc/64/67/80/709646780.db2.gz FMKXPORIKYYKKG-CABCVRRESA-N 2 2 349.479 1.161 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260148 709646784 /nfs/dbraw/zinc/64/67/84/709646784.db2.gz FMKXPORIKYYKKG-CABCVRRESA-N 2 2 349.479 1.161 20 0 EDADLP Cc1oncc1C[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001003016490 709804613 /nfs/dbraw/zinc/80/46/13/709804613.db2.gz JULGQTGJAXDSBA-MRXNPFEDSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375486 709870163 /nfs/dbraw/zinc/87/01/63/709870163.db2.gz CBLZEGXVLMTHRI-CZUORRHYSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1nnc([C@@H](C)[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375486 709870166 /nfs/dbraw/zinc/87/01/66/709870166.db2.gz CBLZEGXVLMTHRI-CZUORRHYSA-N 2 2 349.479 1.752 20 0 EDADLP COc1cc[nH+]cc1CC(=O)NC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001003134214 710019222 /nfs/dbraw/zinc/01/92/22/710019222.db2.gz OHDCKTMQTFIGNR-KRWDZBQOSA-N 2 2 347.459 1.782 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCNC2=O)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001003156298 710058745 /nfs/dbraw/zinc/05/87/45/710058745.db2.gz OQLRNJBUIIGIBH-INIZCTEOSA-N 2 2 341.415 1.036 20 0 EDADLP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1)OC ZINC001003192069 710105107 /nfs/dbraw/zinc/10/51/07/710105107.db2.gz DFLWWXYQUDAUOT-WMLDXEAASA-N 2 2 334.464 1.451 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)OC ZINC001003192302 710126549 /nfs/dbraw/zinc/12/65/49/710126549.db2.gz GNDYQBXZQXXHQO-HOCLYGCPSA-N 2 2 334.464 1.451 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CCc2ccns2)C1 ZINC001034502519 710143921 /nfs/dbraw/zinc/14/39/21/710143921.db2.gz HNASHVVBZWNIPL-AWEZNQCLSA-N 2 2 347.488 1.931 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CCc2ccns2)C1 ZINC001034502519 710143924 /nfs/dbraw/zinc/14/39/24/710143924.db2.gz HNASHVVBZWNIPL-AWEZNQCLSA-N 2 2 347.488 1.931 20 0 EDADLP Cc1noc([C@@H](C)[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001034524968 710174476 /nfs/dbraw/zinc/17/44/76/710174476.db2.gz OHAYUTKFGNXIKC-DOMZBBRYSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1noc([C@@H](C)[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC001034524968 710174477 /nfs/dbraw/zinc/17/44/77/710174477.db2.gz OHAYUTKFGNXIKC-DOMZBBRYSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525865 710177118 /nfs/dbraw/zinc/17/71/18/710177118.db2.gz QRIYCYDVRVDFQQ-CVEARBPZSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525865 710177121 /nfs/dbraw/zinc/17/71/21/710177121.db2.gz QRIYCYDVRVDFQQ-CVEARBPZSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525865 710177123 /nfs/dbraw/zinc/17/71/23/710177123.db2.gz QRIYCYDVRVDFQQ-CVEARBPZSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001034525865 710177128 /nfs/dbraw/zinc/17/71/28/710177128.db2.gz QRIYCYDVRVDFQQ-CVEARBPZSA-N 2 2 331.464 1.207 20 0 EDADLP COc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527428 710181188 /nfs/dbraw/zinc/18/11/88/710181188.db2.gz DPYAFYLXZWMUCG-KRWDZBQOSA-N 2 2 346.475 1.657 20 0 EDADLP COc1ncccc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527428 710181190 /nfs/dbraw/zinc/18/11/90/710181190.db2.gz DPYAFYLXZWMUCG-KRWDZBQOSA-N 2 2 346.475 1.657 20 0 EDADLP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)ccn1 ZINC001034527529 710181252 /nfs/dbraw/zinc/18/12/52/710181252.db2.gz FRSZDRXEVYVJLM-KRWDZBQOSA-N 2 2 346.475 1.657 20 0 EDADLP COc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)ccn1 ZINC001034527529 710181254 /nfs/dbraw/zinc/18/12/54/710181254.db2.gz FRSZDRXEVYVJLM-KRWDZBQOSA-N 2 2 346.475 1.657 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnnn2C)C1 ZINC001034539087 710212303 /nfs/dbraw/zinc/21/23/03/710212303.db2.gz VGQMUMXIXWVWKQ-WBVHZDCISA-N 2 2 348.495 1.160 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2cnnn2C)C1 ZINC001034539087 710212306 /nfs/dbraw/zinc/21/23/06/710212306.db2.gz VGQMUMXIXWVWKQ-WBVHZDCISA-N 2 2 348.495 1.160 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cnnn2C)C1 ZINC001034539087 710212308 /nfs/dbraw/zinc/21/23/08/710212308.db2.gz VGQMUMXIXWVWKQ-WBVHZDCISA-N 2 2 348.495 1.160 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cnnn2C)C1 ZINC001034539087 710212312 /nfs/dbraw/zinc/21/23/12/710212312.db2.gz VGQMUMXIXWVWKQ-WBVHZDCISA-N 2 2 348.495 1.160 20 0 EDADLP CO[C@H](C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1)C1CCC1 ZINC001034546470 710220375 /nfs/dbraw/zinc/22/03/75/710220375.db2.gz FBDBXSPEZBBIQM-DLBZAZTESA-N 2 2 334.464 1.669 20 0 EDADLP CO[C@H](C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1)C1CCC1 ZINC001034546470 710220376 /nfs/dbraw/zinc/22/03/76/710220376.db2.gz FBDBXSPEZBBIQM-DLBZAZTESA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)CO[C@@H](C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001034547332 710221311 /nfs/dbraw/zinc/22/13/11/710221311.db2.gz PHYKYWIGIKCXOG-JKSUJKDBSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)CO[C@@H](C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001034547332 710221314 /nfs/dbraw/zinc/22/13/14/710221314.db2.gz PHYKYWIGIKCXOG-JKSUJKDBSA-N 2 2 334.464 1.669 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCC3)CC2)nn1C ZINC001003424617 710339767 /nfs/dbraw/zinc/33/97/67/710339767.db2.gz VDFGQNYTOFHUPX-UHFFFAOYSA-N 2 2 347.507 1.684 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C/C=C\Cl)CC2)C1 ZINC001003482711 710377355 /nfs/dbraw/zinc/37/73/55/710377355.db2.gz DCOKVCVBRXPRFF-OMVNSRBRSA-N 2 2 329.872 1.429 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](C/C=C\Cl)CC2)C1 ZINC001003482711 710377358 /nfs/dbraw/zinc/37/73/58/710377358.db2.gz DCOKVCVBRXPRFF-OMVNSRBRSA-N 2 2 329.872 1.429 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)o1 ZINC001003627496 710457432 /nfs/dbraw/zinc/45/74/32/710457432.db2.gz FLGXNTOJDDXLIZ-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)o1 ZINC001003627496 710457433 /nfs/dbraw/zinc/45/74/33/710457433.db2.gz FLGXNTOJDDXLIZ-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP CN(C)c1ccccc1C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001003701715 710495650 /nfs/dbraw/zinc/49/56/50/710495650.db2.gz WBDRCXAWJVUMML-UHFFFAOYSA-N 2 2 341.459 1.799 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001005592409 710639522 /nfs/dbraw/zinc/63/95/22/710639522.db2.gz LWBCVFZWKJBBSV-KRWDZBQOSA-N 2 2 345.491 1.692 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001005592409 710639527 /nfs/dbraw/zinc/63/95/27/710639527.db2.gz LWBCVFZWKJBBSV-KRWDZBQOSA-N 2 2 345.491 1.692 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005591989 710650102 /nfs/dbraw/zinc/65/01/02/710650102.db2.gz KGBUBZNMOLLCKB-INIZCTEOSA-N 2 2 331.464 1.384 20 0 EDADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005591989 710650103 /nfs/dbraw/zinc/65/01/03/710650103.db2.gz KGBUBZNMOLLCKB-INIZCTEOSA-N 2 2 331.464 1.384 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001034682130 710669745 /nfs/dbraw/zinc/66/97/45/710669745.db2.gz IONOMROAFOMFIT-IHRRRGAJSA-N 2 2 344.419 1.046 20 0 EDADLP CO[C@@H](C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1)C1CCCC1 ZINC001003847134 710696386 /nfs/dbraw/zinc/69/63/86/710696386.db2.gz VJCFGMZRALVMMA-INIZCTEOSA-N 2 2 334.464 1.738 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001032946782 710929949 /nfs/dbraw/zinc/92/99/49/710929949.db2.gz ZBILIRUMLWTBPY-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001032946782 710929953 /nfs/dbraw/zinc/92/99/53/710929953.db2.gz ZBILIRUMLWTBPY-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(Cl)nc2)C1 ZINC001032946782 710929958 /nfs/dbraw/zinc/92/99/58/710929958.db2.gz ZBILIRUMLWTBPY-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(Cl)nc2)C1 ZINC001032946782 710929961 /nfs/dbraw/zinc/92/99/61/710929961.db2.gz ZBILIRUMLWTBPY-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001034776001 711051019 /nfs/dbraw/zinc/05/10/19/711051019.db2.gz MUKZMYYBEFMAGK-HDJSIYSDSA-N 2 2 347.488 1.945 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034778271 711079597 /nfs/dbraw/zinc/07/95/97/711079597.db2.gz QGOCOKXUCJEURY-JOCQHMNTSA-N 2 2 333.461 1.636 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cnccn2)CC1 ZINC001034785203 711086594 /nfs/dbraw/zinc/08/65/94/711086594.db2.gz COYOLLYLNXJPHX-RBSFLKMASA-N 2 2 342.447 1.829 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC001003967223 711137622 /nfs/dbraw/zinc/13/76/22/711137622.db2.gz JTNCYICZKMPLSV-YJBOKZPZSA-N 2 2 347.507 1.621 20 0 EDADLP CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001034890544 711346518 /nfs/dbraw/zinc/34/65/18/711346518.db2.gz DPKGPTCOPGSTFP-RTBURBONSA-N 2 2 345.487 1.660 20 0 EDADLP CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001034890544 711346521 /nfs/dbraw/zinc/34/65/21/711346521.db2.gz DPKGPTCOPGSTFP-RTBURBONSA-N 2 2 345.487 1.660 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001034922175 711383082 /nfs/dbraw/zinc/38/30/82/711383082.db2.gz GOKICUXWMKQSLX-OAHLLOKOSA-N 2 2 343.431 1.527 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)o1 ZINC001034957876 711430614 /nfs/dbraw/zinc/43/06/14/711430614.db2.gz NSFDRAUCEKOIQN-UKRRQHHQSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)o1 ZINC001034957876 711430616 /nfs/dbraw/zinc/43/06/16/711430616.db2.gz NSFDRAUCEKOIQN-UKRRQHHQSA-N 2 2 349.479 1.758 20 0 EDADLP Cn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCc3[nH+]ccn32)n1 ZINC001034959356 711434483 /nfs/dbraw/zinc/43/44/83/711434483.db2.gz XTTIUJBRCPWRKS-HZPDHXFCSA-N 2 2 342.447 1.275 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@H]2CCC[N@@H+]2Cc2cnon2)CC1 ZINC001004627497 712085656 /nfs/dbraw/zinc/08/56/56/712085656.db2.gz ZGOLTYSEQSZIKB-MRXNPFEDSA-N 2 2 344.419 1.169 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@H]2CCC[N@H+]2Cc2cnon2)CC1 ZINC001004627497 712085658 /nfs/dbraw/zinc/08/56/58/712085658.db2.gz ZGOLTYSEQSZIKB-MRXNPFEDSA-N 2 2 344.419 1.169 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000558353413 306236992 /nfs/dbraw/zinc/23/69/92/306236992.db2.gz KVUUIKTVJDRAHW-OAHLLOKOSA-N 2 2 347.488 1.129 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1CCOCC1 ZINC000359373288 282249960 /nfs/dbraw/zinc/24/99/60/282249960.db2.gz VCJCLOPVWRWQLH-GOSISDBHSA-N 2 2 337.508 1.820 20 0 EDADLP C[N@H+](CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCCC1 ZINC000174757607 529913673 /nfs/dbraw/zinc/91/36/73/529913673.db2.gz KCASYVDVLBPHRK-KRWDZBQOSA-N 2 2 338.496 1.367 20 0 EDADLP C[N@@H+](CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCCC1 ZINC000174757607 529913674 /nfs/dbraw/zinc/91/36/74/529913674.db2.gz KCASYVDVLBPHRK-KRWDZBQOSA-N 2 2 338.496 1.367 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000560335947 306264939 /nfs/dbraw/zinc/26/49/39/306264939.db2.gz YDQJKMSRSCUZQS-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000560335947 306264940 /nfs/dbraw/zinc/26/49/40/306264940.db2.gz YDQJKMSRSCUZQS-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000561169313 306283728 /nfs/dbraw/zinc/28/37/28/306283728.db2.gz RXQNFLZNVTXDFT-RYUDHWBXSA-N 2 2 332.370 1.914 20 0 EDADLP CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C1 ZINC000561169313 306283729 /nfs/dbraw/zinc/28/37/29/306283729.db2.gz RXQNFLZNVTXDFT-RYUDHWBXSA-N 2 2 332.370 1.914 20 0 EDADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC(C)(C)C)c1 ZINC000561194349 306284240 /nfs/dbraw/zinc/28/42/40/306284240.db2.gz BUGWHZCOIUUAOG-INIZCTEOSA-N 2 2 348.491 1.957 20 0 EDADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC(C)(C)C)c1 ZINC000561194349 306284241 /nfs/dbraw/zinc/28/42/41/306284241.db2.gz BUGWHZCOIUUAOG-INIZCTEOSA-N 2 2 348.491 1.957 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c[nH+]1 ZINC000334092792 539668169 /nfs/dbraw/zinc/66/81/69/539668169.db2.gz OXMFBPITNCZWNE-WMLDXEAASA-N 2 2 332.448 1.561 20 0 EDADLP FC(F)(F)Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000353644690 539936216 /nfs/dbraw/zinc/93/62/16/539936216.db2.gz DZHDVKOVUCXGLA-ZDUSSCGKSA-N 2 2 332.370 1.600 20 0 EDADLP FC(F)(F)Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000353644690 539936217 /nfs/dbraw/zinc/93/62/17/539936217.db2.gz DZHDVKOVUCXGLA-ZDUSSCGKSA-N 2 2 332.370 1.600 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356257718 539964308 /nfs/dbraw/zinc/96/43/08/539964308.db2.gz UIIWYLKVDFCQJK-SFHVURJKSA-N 2 2 328.416 1.096 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000356257718 539964316 /nfs/dbraw/zinc/96/43/16/539964316.db2.gz UIIWYLKVDFCQJK-SFHVURJKSA-N 2 2 328.416 1.096 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356257718 539964320 /nfs/dbraw/zinc/96/43/20/539964320.db2.gz UIIWYLKVDFCQJK-SFHVURJKSA-N 2 2 328.416 1.096 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000356257718 539964325 /nfs/dbraw/zinc/96/43/25/539964325.db2.gz UIIWYLKVDFCQJK-SFHVURJKSA-N 2 2 328.416 1.096 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000563089406 306318533 /nfs/dbraw/zinc/31/85/33/306318533.db2.gz OAHKLSLYVOQSQR-INIZCTEOSA-N 2 2 348.495 1.215 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000563089406 306318534 /nfs/dbraw/zinc/31/85/34/306318534.db2.gz OAHKLSLYVOQSQR-INIZCTEOSA-N 2 2 348.495 1.215 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000374386280 283017784 /nfs/dbraw/zinc/01/77/84/283017784.db2.gz MOWFLISBHNFCTN-ZBFHGGJFSA-N 2 2 332.448 1.256 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000374386280 283017785 /nfs/dbraw/zinc/01/77/85/283017785.db2.gz MOWFLISBHNFCTN-ZBFHGGJFSA-N 2 2 332.448 1.256 20 0 EDADLP C[C@H]1CCc2ccccc2N1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563202878 306323103 /nfs/dbraw/zinc/32/31/03/306323103.db2.gz HCQKXFNRWMNTOV-RDJZCZTQSA-N 2 2 330.476 1.319 20 0 EDADLP C[C@H]1CCc2ccccc2N1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563202878 306323104 /nfs/dbraw/zinc/32/31/04/306323104.db2.gz HCQKXFNRWMNTOV-RDJZCZTQSA-N 2 2 330.476 1.319 20 0 EDADLP CO[C@@H](C)[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643272457 452110216 /nfs/dbraw/zinc/11/02/16/452110216.db2.gz IUXBQQOPQDDODP-IJEWVQPXSA-N 2 2 326.485 1.220 20 0 EDADLP CO[C@@H](C)[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643272457 452110224 /nfs/dbraw/zinc/11/02/24/452110224.db2.gz IUXBQQOPQDDODP-IJEWVQPXSA-N 2 2 326.485 1.220 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccn12 ZINC000563382056 306331070 /nfs/dbraw/zinc/33/10/70/306331070.db2.gz AXLCZOZUMNUWDI-UHFFFAOYSA-N 3 2 345.491 1.988 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000563442548 306333393 /nfs/dbraw/zinc/33/33/93/306333393.db2.gz RGRCCJFEKVPDEQ-GJZGRUSLSA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000563442548 306333394 /nfs/dbraw/zinc/33/33/94/306333394.db2.gz RGRCCJFEKVPDEQ-GJZGRUSLSA-N 2 2 330.363 1.225 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)[C@@H](C[NH3+])C1 ZINC000563463389 306334680 /nfs/dbraw/zinc/33/46/80/306334680.db2.gz JLJCIEPKIKFUIF-JTQLQIEISA-N 2 2 334.317 1.951 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)[C@@H](C[NH3+])C1 ZINC000563463389 306334681 /nfs/dbraw/zinc/33/46/81/306334681.db2.gz JLJCIEPKIKFUIF-JTQLQIEISA-N 2 2 334.317 1.951 20 0 EDADLP Cc1coc(-c2cccc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2)n1 ZINC000563469933 306334926 /nfs/dbraw/zinc/33/49/26/306334926.db2.gz JEJOGYJENLYTDX-HNNXBMFYSA-N 2 2 329.404 1.757 20 0 EDADLP Cc1coc(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2)n1 ZINC000563469933 306334927 /nfs/dbraw/zinc/33/49/27/306334927.db2.gz JEJOGYJENLYTDX-HNNXBMFYSA-N 2 2 329.404 1.757 20 0 EDADLP COCC[NH+]1CCC(Nc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000413082291 304056836 /nfs/dbraw/zinc/05/68/36/304056836.db2.gz IMDXUCVXZNQAJK-GJZGRUSLSA-N 2 2 349.479 1.206 20 0 EDADLP COCC[NH+]1CCC(Nc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000413082291 304056837 /nfs/dbraw/zinc/05/68/37/304056837.db2.gz IMDXUCVXZNQAJK-GJZGRUSLSA-N 2 2 349.479 1.206 20 0 EDADLP CNC(=O)c1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000072963912 138212293 /nfs/dbraw/zinc/21/22/93/138212293.db2.gz FTZLCRKBVYGKHZ-LJQANCHMSA-N 2 2 344.503 1.648 20 0 EDADLP CNC(=O)c1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000072963912 138212296 /nfs/dbraw/zinc/21/22/96/138212296.db2.gz FTZLCRKBVYGKHZ-LJQANCHMSA-N 2 2 344.503 1.648 20 0 EDADLP COc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cc(OC)c1OC ZINC000076898088 138250203 /nfs/dbraw/zinc/25/02/03/138250203.db2.gz LDCJWTKVFBOMCK-CQSZACIVSA-N 2 2 338.448 1.913 20 0 EDADLP CCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000076951796 138250656 /nfs/dbraw/zinc/25/06/56/138250656.db2.gz DBJDUTCRLPBPKF-UHFFFAOYSA-N 2 2 325.478 1.097 20 0 EDADLP CCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000076951796 138250657 /nfs/dbraw/zinc/25/06/57/138250657.db2.gz DBJDUTCRLPBPKF-UHFFFAOYSA-N 2 2 325.478 1.097 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2cccnc2)CC1)C[NH+]1CCCC1 ZINC000080050600 138263441 /nfs/dbraw/zinc/26/34/41/138263441.db2.gz ICXCWGJBBQRQNW-KRWDZBQOSA-N 2 2 345.491 1.641 20 0 EDADLP CCOC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000081519921 138266961 /nfs/dbraw/zinc/26/69/61/138266961.db2.gz VVZYDTRZTUGKOJ-INIZCTEOSA-N 2 2 335.448 1.282 20 0 EDADLP CCOC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000081519921 138266962 /nfs/dbraw/zinc/26/69/62/138266962.db2.gz VVZYDTRZTUGKOJ-INIZCTEOSA-N 2 2 335.448 1.282 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1nccs1 ZINC000093403682 138293484 /nfs/dbraw/zinc/29/34/84/138293484.db2.gz ULOFEJVUJWFIIL-CQSZACIVSA-N 2 2 345.472 1.928 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCC3CCCCC3)C2)CC1 ZINC000107369821 138304291 /nfs/dbraw/zinc/30/42/91/138304291.db2.gz UFKACUOAIDZQHO-SFHVURJKSA-N 2 2 336.524 1.395 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCC3CCCCC3)C2)CC1 ZINC000107369821 138304292 /nfs/dbraw/zinc/30/42/92/138304292.db2.gz UFKACUOAIDZQHO-SFHVURJKSA-N 2 2 336.524 1.395 20 0 EDADLP c1nc(NCC2([NH+]3CCOCC3)CCOCC2)cc(N2CCCC2)[nH+]1 ZINC000413395061 304059883 /nfs/dbraw/zinc/05/98/83/304059883.db2.gz BXNVYSZOOSUPBI-UHFFFAOYSA-N 2 2 347.463 1.370 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124855651 138330161 /nfs/dbraw/zinc/33/01/61/138330161.db2.gz KQKQWMIOBQIFMD-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124855651 138330162 /nfs/dbraw/zinc/33/01/62/138330162.db2.gz KQKQWMIOBQIFMD-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000126268260 138337881 /nfs/dbraw/zinc/33/78/81/138337881.db2.gz SVCKCFJZZGBTMI-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000126268260 138337882 /nfs/dbraw/zinc/33/78/82/138337882.db2.gz SVCKCFJZZGBTMI-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H](C)O1 ZINC000130589575 138343039 /nfs/dbraw/zinc/34/30/39/138343039.db2.gz DOKUNARBGGNHEW-QLFBSQMISA-N 2 2 334.464 1.450 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H](C)O1 ZINC000130589575 138343040 /nfs/dbraw/zinc/34/30/40/138343040.db2.gz DOKUNARBGGNHEW-QLFBSQMISA-N 2 2 334.464 1.450 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1Cl ZINC000563606968 306341578 /nfs/dbraw/zinc/34/15/78/306341578.db2.gz RXBJVCFZHHHJMB-CMPLNLGQSA-N 2 2 328.819 1.824 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1Cl ZINC000563606968 306341579 /nfs/dbraw/zinc/34/15/79/306341579.db2.gz RXBJVCFZHHHJMB-CMPLNLGQSA-N 2 2 328.819 1.824 20 0 EDADLP Cc1ccc(CN(C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C2CC2)cc1 ZINC000563669578 306344510 /nfs/dbraw/zinc/34/45/10/306344510.db2.gz GFKBXGGCPCVYDY-SFHVURJKSA-N 2 2 331.460 1.536 20 0 EDADLP Cc1ccc(CN(C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)C2CC2)cc1 ZINC000563669578 306344511 /nfs/dbraw/zinc/34/45/11/306344511.db2.gz GFKBXGGCPCVYDY-SFHVURJKSA-N 2 2 331.460 1.536 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCOCC(F)F)c2cc1C ZINC000563805727 306347749 /nfs/dbraw/zinc/34/77/49/306347749.db2.gz OALVUQRHLFZSGZ-ZDUSSCGKSA-N 2 2 327.375 1.885 20 0 EDADLP CCCN1C(=O)CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@@H]1c1c[nH+]cn1C ZINC000354425514 283312008 /nfs/dbraw/zinc/31/20/08/283312008.db2.gz NWXFVRUFADOKMN-JKIFEVAISA-N 2 2 349.479 1.176 20 0 EDADLP NC(=O)[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000367147846 283314217 /nfs/dbraw/zinc/31/42/17/283314217.db2.gz HPMQYTOKNXSDPI-OCCSQVGLSA-N 2 2 349.232 1.777 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 ZINC000564202579 306356566 /nfs/dbraw/zinc/35/65/66/306356566.db2.gz QNEFBOBKBCJNMP-GPMSIDNRSA-N 2 2 344.459 1.432 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000179313856 138751005 /nfs/dbraw/zinc/75/10/05/138751005.db2.gz XAVNAVOGTACVDK-WBVHZDCISA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000564850926 306367447 /nfs/dbraw/zinc/36/74/47/306367447.db2.gz ZEKUGCTWGQLNTD-JTDSTZFVSA-N 2 2 339.524 1.453 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)CNC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000564850926 306367448 /nfs/dbraw/zinc/36/74/48/306367448.db2.gz ZEKUGCTWGQLNTD-JTDSTZFVSA-N 2 2 339.524 1.453 20 0 EDADLP CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H](C)[NH3+] ZINC000564924567 306369808 /nfs/dbraw/zinc/36/98/08/306369808.db2.gz LCLNNOIVOKGFEU-SJORKVTESA-N 3 2 338.540 1.672 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(C)(C)n1cncn1 ZINC000368126132 299307706 /nfs/dbraw/zinc/30/77/06/299307706.db2.gz OWMQIXQMROAKBB-YQQAZPJKSA-N 2 2 345.495 1.808 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(C)(C)n1cncn1 ZINC000368126132 299307710 /nfs/dbraw/zinc/30/77/10/299307710.db2.gz OWMQIXQMROAKBB-YQQAZPJKSA-N 2 2 345.495 1.808 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000565156685 306376398 /nfs/dbraw/zinc/37/63/98/306376398.db2.gz LIURMXANVUWZBZ-HOCLYGCPSA-N 2 2 346.475 1.919 20 0 EDADLP CCN(CC)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000565156685 306376399 /nfs/dbraw/zinc/37/63/99/306376399.db2.gz LIURMXANVUWZBZ-HOCLYGCPSA-N 2 2 346.475 1.919 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000131640641 223253870 /nfs/dbraw/zinc/25/38/70/223253870.db2.gz PJKWWPBJFWDXAZ-UHFFFAOYSA-N 2 2 348.472 1.971 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000565784221 306391741 /nfs/dbraw/zinc/39/17/41/306391741.db2.gz VMIATBZKSYTUSI-OCCSQVGLSA-N 2 2 330.432 1.329 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000565784221 306391742 /nfs/dbraw/zinc/39/17/42/306391742.db2.gz VMIATBZKSYTUSI-OCCSQVGLSA-N 2 2 330.432 1.329 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ccc(NC(=O)C[NH+](C)C)cc2)n1C ZINC000414356897 304111534 /nfs/dbraw/zinc/11/15/34/304111534.db2.gz AGRHYYPGKINJNP-UHFFFAOYSA-N 2 2 330.436 1.598 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC[C@@H](O)C(F)(F)F)c2cc1C ZINC000565833723 306392895 /nfs/dbraw/zinc/39/28/95/306392895.db2.gz QCVAZRPFFWDSOS-IUODEOHRSA-N 2 2 345.365 1.917 20 0 EDADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000566197200 306403320 /nfs/dbraw/zinc/40/33/20/306403320.db2.gz OVJRQMMVWFNAOJ-UHFFFAOYSA-N 2 2 325.376 1.578 20 0 EDADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(CC[NH2+]C(C)(C)C)CC2)n1 ZINC000414696865 304128888 /nfs/dbraw/zinc/12/88/88/304128888.db2.gz BOLHQDTTZGVONV-CQSZACIVSA-N 2 2 339.484 1.673 20 0 EDADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(CC[NH2+]C(C)(C)C)CC2)n1 ZINC000414696865 304128889 /nfs/dbraw/zinc/12/88/89/304128889.db2.gz BOLHQDTTZGVONV-CQSZACIVSA-N 2 2 339.484 1.673 20 0 EDADLP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000414781969 304140221 /nfs/dbraw/zinc/14/02/21/304140221.db2.gz HZEUTNIYRJPTOF-UHFFFAOYSA-N 2 2 330.432 1.041 20 0 EDADLP CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414786780 304140927 /nfs/dbraw/zinc/14/09/27/304140927.db2.gz UUTURMHNDDKVCQ-STQMWFEESA-N 2 2 328.503 1.973 20 0 EDADLP CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414786780 304140929 /nfs/dbraw/zinc/14/09/29/304140929.db2.gz UUTURMHNDDKVCQ-STQMWFEESA-N 2 2 328.503 1.973 20 0 EDADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000072758809 203244025 /nfs/dbraw/zinc/24/40/25/203244025.db2.gz GMBHDGLBIMSGAK-MRXNPFEDSA-N 2 2 347.459 1.838 20 0 EDADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000072758809 203244028 /nfs/dbraw/zinc/24/40/28/203244028.db2.gz GMBHDGLBIMSGAK-MRXNPFEDSA-N 2 2 347.459 1.838 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000072758809 203244029 /nfs/dbraw/zinc/24/40/29/203244029.db2.gz GMBHDGLBIMSGAK-MRXNPFEDSA-N 2 2 347.459 1.838 20 0 EDADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000072758809 203244033 /nfs/dbraw/zinc/24/40/33/203244033.db2.gz GMBHDGLBIMSGAK-MRXNPFEDSA-N 2 2 347.459 1.838 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](CO)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000072801586 203244479 /nfs/dbraw/zinc/24/44/79/203244479.db2.gz MPAMUYPHPGMYAT-KRWDZBQOSA-N 2 2 347.459 1.162 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](CO)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000072801586 203244482 /nfs/dbraw/zinc/24/44/82/203244482.db2.gz MPAMUYPHPGMYAT-KRWDZBQOSA-N 2 2 347.459 1.162 20 0 EDADLP CCS(=O)(=O)NCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109885 203338177 /nfs/dbraw/zinc/33/81/77/203338177.db2.gz XEVDDIHWJJIMGW-KRWDZBQOSA-N 2 2 339.505 1.380 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109885 203338180 /nfs/dbraw/zinc/33/81/80/203338180.db2.gz XEVDDIHWJJIMGW-KRWDZBQOSA-N 2 2 339.505 1.380 20 0 EDADLP CCS(=O)(=O)NCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109885 203338183 /nfs/dbraw/zinc/33/81/83/203338183.db2.gz XEVDDIHWJJIMGW-KRWDZBQOSA-N 2 2 339.505 1.380 20 0 EDADLP CCS(=O)(=O)NCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109885 203338186 /nfs/dbraw/zinc/33/81/86/203338186.db2.gz XEVDDIHWJJIMGW-KRWDZBQOSA-N 2 2 339.505 1.380 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000076603107 203359125 /nfs/dbraw/zinc/35/91/25/203359125.db2.gz KRNWIZLDHBKMHP-UHFFFAOYSA-N 2 2 336.436 1.657 20 0 EDADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc2[nH+]ccn2c1 ZINC000370545629 284169672 /nfs/dbraw/zinc/16/96/72/284169672.db2.gz GTCXFXHJLZCVPG-HOTGVXAUSA-N 2 2 328.416 1.708 20 0 EDADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000415092879 304159082 /nfs/dbraw/zinc/15/90/82/304159082.db2.gz HCHHNERGIBYZCS-STQMWFEESA-N 2 2 325.840 1.944 20 0 EDADLP Brc1ccc2ncc(C[NH2+]C[C@@H]3C[NH2+]CCO3)n2c1 ZINC000415098106 304159463 /nfs/dbraw/zinc/15/94/63/304159463.db2.gz UWMNEPRQZQFXNN-LBPRGKRZSA-N 2 2 325.210 1.175 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000104718834 204115826 /nfs/dbraw/zinc/11/58/26/204115826.db2.gz NUINHVKHGGOSNY-HOTGVXAUSA-N 2 2 346.475 1.717 20 0 EDADLP CCc1cccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000107369786 204235409 /nfs/dbraw/zinc/23/54/09/204235409.db2.gz OSRWZPMVDOJDMT-IBGZPJMESA-N 2 2 344.503 1.899 20 0 EDADLP CCc1cccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000107369786 204235414 /nfs/dbraw/zinc/23/54/14/204235414.db2.gz OSRWZPMVDOJDMT-IBGZPJMESA-N 2 2 344.503 1.899 20 0 EDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC(=O)NCc1cccs1 ZINC000109793115 204293180 /nfs/dbraw/zinc/29/31/80/204293180.db2.gz CWNAFMNWUVMNPY-UHFFFAOYSA-N 2 2 347.444 1.608 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794183 204293820 /nfs/dbraw/zinc/29/38/20/204293820.db2.gz ZAFMPCAROOLMAX-UHFFFAOYSA-N 2 2 328.416 1.845 20 0 EDADLP CC[NH+](CC)CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111125291 204338327 /nfs/dbraw/zinc/33/83/27/204338327.db2.gz VBANAIKYLJTZEN-SFHVURJKSA-N 2 2 333.476 1.388 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)oc1C ZINC000111230997 204343185 /nfs/dbraw/zinc/34/31/85/204343185.db2.gz YLMXPLSJAIWQKP-INIZCTEOSA-N 2 2 349.475 1.977 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)oc1C ZINC000111230997 204343190 /nfs/dbraw/zinc/34/31/90/204343190.db2.gz YLMXPLSJAIWQKP-INIZCTEOSA-N 2 2 349.475 1.977 20 0 EDADLP C[C@@H](c1cccc(NC(=O)NC[C@H]([NH3+])C2CC2)c1)[NH+]1CCOCC1 ZINC000415148137 304165336 /nfs/dbraw/zinc/16/53/36/304165336.db2.gz JUOOXYSHHIZMDK-GUYCJALGSA-N 2 2 332.448 1.939 20 0 EDADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000236953912 139036338 /nfs/dbraw/zinc/03/63/38/139036338.db2.gz CKFMPCSFDYZGPB-QAPCUYQASA-N 2 2 349.475 1.387 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2)CC1 ZINC000237092716 139040382 /nfs/dbraw/zinc/04/03/82/139040382.db2.gz XOYSCDTXAWLYFN-SFHVURJKSA-N 2 2 342.487 1.762 20 0 EDADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000237078221 139039970 /nfs/dbraw/zinc/03/99/70/139039970.db2.gz LFVKBBHEEDEKPJ-RYQLBKOJSA-N 2 2 333.476 1.858 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000237281295 139046376 /nfs/dbraw/zinc/04/63/76/139046376.db2.gz PLBDGXKEIJFCOC-BEFAXECRSA-N 2 2 331.460 1.900 20 0 EDADLP COc1ccc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cc1OC ZINC000237321909 139047924 /nfs/dbraw/zinc/04/79/24/139047924.db2.gz QCWLFEIZZWLDOS-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP C[C@@H](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000237481589 139052195 /nfs/dbraw/zinc/05/21/95/139052195.db2.gz IQPLVMPUPIEWOP-JKSUJKDBSA-N 2 2 346.475 1.560 20 0 EDADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000237503053 139052776 /nfs/dbraw/zinc/05/27/76/139052776.db2.gz ZLRNANKCGKKOKE-XJKSGUPXSA-N 2 2 337.851 1.534 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+]2CCc3sccc3C2)C1 ZINC000245460657 139075776 /nfs/dbraw/zinc/07/57/76/139075776.db2.gz MHHQVRJTVWZJCZ-DZGCQCFKSA-N 2 2 337.489 1.332 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+]2CCc3sccc3C2)C1 ZINC000245460657 139075777 /nfs/dbraw/zinc/07/57/77/139075777.db2.gz MHHQVRJTVWZJCZ-DZGCQCFKSA-N 2 2 337.489 1.332 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)C1 ZINC000245460657 139075778 /nfs/dbraw/zinc/07/57/78/139075778.db2.gz MHHQVRJTVWZJCZ-DZGCQCFKSA-N 2 2 337.489 1.332 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)C1 ZINC000245460657 139075779 /nfs/dbraw/zinc/07/57/79/139075779.db2.gz MHHQVRJTVWZJCZ-DZGCQCFKSA-N 2 2 337.489 1.332 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000155804569 206037553 /nfs/dbraw/zinc/03/75/53/206037553.db2.gz HLBPCVYHUCTTET-OAHLLOKOSA-N 2 2 345.447 1.144 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CCC3CC[NH2+]CC3)c[nH+]2)CCO1 ZINC000155895866 206042829 /nfs/dbraw/zinc/04/28/29/206042829.db2.gz KERQARRAFYMWEV-HNNXBMFYSA-N 2 2 346.475 1.703 20 0 EDADLP [NH3+]CCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000415289511 304186842 /nfs/dbraw/zinc/18/68/42/304186842.db2.gz CXQNZOBSYGIGIO-UHFFFAOYSA-N 2 2 341.415 1.290 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415305113 304189761 /nfs/dbraw/zinc/18/97/61/304189761.db2.gz QXXVQEPGDLUREM-CQSZACIVSA-N 2 2 335.452 1.722 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415311913 304191569 /nfs/dbraw/zinc/19/15/69/304191569.db2.gz FCSSOGSEMOYOCQ-LBPRGKRZSA-N 2 2 343.378 1.331 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247073575 139134331 /nfs/dbraw/zinc/13/43/31/139134331.db2.gz IYBJOYBNZQXYAF-IKGGRYGDSA-N 2 2 328.460 1.851 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000161623668 206360087 /nfs/dbraw/zinc/36/00/87/206360087.db2.gz WUDHHTGWJKGOCI-QGZVFWFLSA-N 2 2 327.428 1.952 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266007687 248023801 /nfs/dbraw/zinc/02/38/01/248023801.db2.gz KZZGDSYDTODUSH-OALUTQOASA-N 2 2 348.487 1.697 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000266007687 248023805 /nfs/dbraw/zinc/02/38/05/248023805.db2.gz KZZGDSYDTODUSH-OALUTQOASA-N 2 2 348.487 1.697 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415376857 304207956 /nfs/dbraw/zinc/20/79/56/304207956.db2.gz NMZMNTLYHWWIAT-CQSZACIVSA-N 2 2 327.388 1.021 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000248419769 139163106 /nfs/dbraw/zinc/16/31/06/139163106.db2.gz VMQZJIJBKNBRRP-GDBMZVCRSA-N 2 2 342.447 1.035 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000248419769 139163107 /nfs/dbraw/zinc/16/31/07/139163107.db2.gz VMQZJIJBKNBRRP-GDBMZVCRSA-N 2 2 342.447 1.035 20 0 EDADLP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000333551245 296280060 /nfs/dbraw/zinc/28/00/60/296280060.db2.gz JLVSLPJBLIXSLB-GXTWGEPZSA-N 2 2 329.408 1.293 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248680953 139171571 /nfs/dbraw/zinc/17/15/71/139171571.db2.gz FMVGDQZMAOVWMQ-HIFRSBDPSA-N 2 2 331.420 1.876 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248680953 139171572 /nfs/dbraw/zinc/17/15/72/139171572.db2.gz FMVGDQZMAOVWMQ-HIFRSBDPSA-N 2 2 331.420 1.876 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000248800958 139175866 /nfs/dbraw/zinc/17/58/66/139175866.db2.gz AFZWDXVZDGZBDM-MAUKXSAKSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000248800958 139175867 /nfs/dbraw/zinc/17/58/67/139175867.db2.gz AFZWDXVZDGZBDM-MAUKXSAKSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC[NH2+]1 ZINC000415408242 304215492 /nfs/dbraw/zinc/21/54/92/304215492.db2.gz BVCKXPNDCVAFJN-NSHDSACASA-N 2 2 338.839 1.160 20 0 EDADLP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C[NH+]1CCOCC1 ZINC000268000168 139702040 /nfs/dbraw/zinc/70/20/40/139702040.db2.gz CSZATBKBBQIWDL-ZDUSSCGKSA-N 2 2 325.478 1.508 20 0 EDADLP COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCC([NH3+])CC1)CC2 ZINC000261734063 139221786 /nfs/dbraw/zinc/22/17/86/139221786.db2.gz RZIAPNQWVBDGCT-UHFFFAOYSA-N 2 2 333.432 1.012 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415458786 304223068 /nfs/dbraw/zinc/22/30/68/304223068.db2.gz LYHLIVFWFDCFTI-MRXNPFEDSA-N 2 2 342.399 1.912 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)cc1F ZINC000261827029 139229490 /nfs/dbraw/zinc/22/94/90/139229490.db2.gz IYHSXIJCTQEMDC-HNNXBMFYSA-N 2 2 349.450 1.868 20 0 EDADLP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000261888017 139234329 /nfs/dbraw/zinc/23/43/29/139234329.db2.gz GCNNNDOHZDIODJ-ZACQAIPSSA-N 2 2 338.473 1.207 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C1CCOCC1 ZINC000261906750 139235679 /nfs/dbraw/zinc/23/56/79/139235679.db2.gz XBJXCWKVUMKPIZ-QGZVFWFLSA-N 2 2 332.448 1.442 20 0 EDADLP C[C@]1(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000261991714 139242251 /nfs/dbraw/zinc/24/22/51/139242251.db2.gz KJBXPIFOBAIZRZ-KRWDZBQOSA-N 2 2 337.489 1.383 20 0 EDADLP C[C@]1(C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000261991714 139242252 /nfs/dbraw/zinc/24/22/52/139242252.db2.gz KJBXPIFOBAIZRZ-KRWDZBQOSA-N 2 2 337.489 1.383 20 0 EDADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000262078311 139249199 /nfs/dbraw/zinc/24/91/99/139249199.db2.gz SUYNKQCSNAYMBC-HNNXBMFYSA-N 2 2 328.445 1.814 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262085828 139249694 /nfs/dbraw/zinc/24/96/94/139249694.db2.gz BTZZLFIISBDKKN-UAGQMJEPSA-N 2 2 344.459 1.455 20 0 EDADLP Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262095528 139250504 /nfs/dbraw/zinc/25/05/04/139250504.db2.gz VDTQIRNWVFGGTM-FQEVSTJZSA-N 2 2 344.503 1.859 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)cc1 ZINC000174526679 207027993 /nfs/dbraw/zinc/02/79/93/207027993.db2.gz CKAJBZVEUKIGMS-GOSISDBHSA-N 2 2 347.459 1.060 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)cc1 ZINC000174526679 207028000 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1.666 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000270142283 140050435 /nfs/dbraw/zinc/05/04/35/140050435.db2.gz REIWPNNKAYBFTL-CRAIPNDOSA-N 2 2 342.443 1.666 20 0 EDADLP C[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000270211725 140060818 /nfs/dbraw/zinc/06/08/18/140060818.db2.gz JPGYVMSVMFXELA-KRWDZBQOSA-N 2 2 333.501 1.941 20 0 EDADLP C[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000270211725 140060820 /nfs/dbraw/zinc/06/08/20/140060820.db2.gz JPGYVMSVMFXELA-KRWDZBQOSA-N 2 2 333.501 1.941 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1=O ZINC000331754485 141077192 /nfs/dbraw/zinc/07/71/92/141077192.db2.gz BKIBYGUSUVKFLL-JYJNAYRXSA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1=O ZINC000331754485 141077193 /nfs/dbraw/zinc/07/71/93/141077193.db2.gz BKIBYGUSUVKFLL-JYJNAYRXSA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1=O ZINC000331754485 141077195 /nfs/dbraw/zinc/07/71/95/141077195.db2.gz BKIBYGUSUVKFLL-JYJNAYRXSA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1=O ZINC000331754485 141077196 /nfs/dbraw/zinc/07/71/96/141077196.db2.gz BKIBYGUSUVKFLL-JYJNAYRXSA-N 2 2 336.480 1.513 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[C@@H]1[NH+](C)C ZINC000332102287 141123570 /nfs/dbraw/zinc/12/35/70/141123570.db2.gz CTJUBVIWPVCQFR-ZBFHGGJFSA-N 2 2 331.464 1.642 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000332243951 141146006 /nfs/dbraw/zinc/14/60/06/141146006.db2.gz AEUGFXHPIYEMFS-BPQIPLTHSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000332283376 141155943 /nfs/dbraw/zinc/15/59/43/141155943.db2.gz JYLDNHRCWYCFBU-QAETUUGQSA-N 2 2 338.496 1.256 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000332419092 141178860 /nfs/dbraw/zinc/17/88/60/141178860.db2.gz VWGZGNWQLHPCKC-GDBMZVCRSA-N 2 2 348.447 1.178 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000332419092 141178861 /nfs/dbraw/zinc/17/88/61/141178861.db2.gz VWGZGNWQLHPCKC-GDBMZVCRSA-N 2 2 348.447 1.178 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000332558633 141202887 /nfs/dbraw/zinc/20/28/87/141202887.db2.gz SZHTVYKALACWNG-ZFWWWQNUSA-N 2 2 347.463 1.818 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000332557431 141202925 /nfs/dbraw/zinc/20/29/25/141202925.db2.gz OQQJZGQBJTZKBF-ODIFPOPNSA-N 2 2 331.464 1.740 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)CCC2 ZINC000332677747 141227931 /nfs/dbraw/zinc/22/79/31/141227931.db2.gz DHKGVWDATKLOAP-WBVHZDCISA-N 2 2 346.475 1.829 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)CCC2 ZINC000332677747 141227933 /nfs/dbraw/zinc/22/79/33/141227933.db2.gz DHKGVWDATKLOAP-WBVHZDCISA-N 2 2 346.475 1.829 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+](C2CCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333581972 141340550 /nfs/dbraw/zinc/34/05/50/141340550.db2.gz AYXHDCOSUAFRME-GJZGRUSLSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)CC2)s1 ZINC000333663766 141352451 /nfs/dbraw/zinc/35/24/51/141352451.db2.gz MAAMOWLGMMDNEK-DOMZBBRYSA-N 2 2 337.493 1.277 20 0 EDADLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3CCCC3=O)CC2)cc1 ZINC000572294878 306585188 /nfs/dbraw/zinc/58/51/88/306585188.db2.gz KDIDTOAMXBKZKM-UHFFFAOYSA-N 2 2 326.444 1.735 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000338895490 141909228 /nfs/dbraw/zinc/90/92/28/141909228.db2.gz WAODPKLXJUXEIQ-UHFFFAOYSA-N 2 2 333.476 1.933 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H](C)CO ZINC000339629747 142100292 /nfs/dbraw/zinc/10/02/92/142100292.db2.gz WVRCTIQHHGZYRA-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)[C@@H](C)CO ZINC000339629747 142100294 /nfs/dbraw/zinc/10/02/94/142100294.db2.gz WVRCTIQHHGZYRA-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC)CC1)CC(C)C ZINC000339998449 142229814 /nfs/dbraw/zinc/22/98/14/142229814.db2.gz BEYHHCZBDMYYDG-MRXNPFEDSA-N 2 2 340.512 1.023 20 0 EDADLP C[C@@H](Cc1cccc(O)c1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340248763 142318957 /nfs/dbraw/zinc/31/89/57/142318957.db2.gz IZVDCJIZYVJSIY-HNNXBMFYSA-N 2 2 348.491 1.648 20 0 EDADLP C[C@@H](C[NH2+]C1CCC(CS(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC000340249195 142319182 /nfs/dbraw/zinc/31/91/82/142319182.db2.gz YZNVNBBYTFPXPY-FHERZECASA-N 2 2 332.510 1.148 20 0 EDADLP COC[C@@]1(C[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)CCC[NH2+]1 ZINC000572474354 306590087 /nfs/dbraw/zinc/59/00/87/306590087.db2.gz HNPYEVIPKYPGPN-YJBOKZPZSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1ccc(CCC[NH2+][C@H]2CCC(=O)N[C@@H]2c2ccnn2C)c[nH+]1 ZINC000345024047 143040691 /nfs/dbraw/zinc/04/06/91/143040691.db2.gz XKHMQCFWIQMZTQ-YJBOKZPZSA-N 2 2 327.432 1.666 20 0 EDADLP C[C@H](C(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000345060579 143045522 /nfs/dbraw/zinc/04/55/22/143045522.db2.gz HCRHTFKQJKIMIM-DJIMGWMZSA-N 2 2 333.501 1.638 20 0 EDADLP C[C@H](C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[NH+]1CCSCC1 ZINC000345060579 143045523 /nfs/dbraw/zinc/04/55/23/143045523.db2.gz HCRHTFKQJKIMIM-DJIMGWMZSA-N 2 2 333.501 1.638 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000345094546 143049386 /nfs/dbraw/zinc/04/93/86/143049386.db2.gz BIIWVEYEHPJYMY-HNNXBMFYSA-N 2 2 335.452 1.281 20 0 EDADLP C[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[NH+]1CCCCCC1 ZINC000345297521 143074550 /nfs/dbraw/zinc/07/45/50/143074550.db2.gz JVIOPNBQKVLXBZ-MRXNPFEDSA-N 2 2 333.480 1.329 20 0 EDADLP Cn1c2ccccc2[nH+]c1CCSc1nnnn1CC[NH+](C)C ZINC000345404113 143087171 /nfs/dbraw/zinc/08/71/71/143087171.db2.gz LWXVYMJELJINHP-UHFFFAOYSA-N 2 2 331.449 1.456 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000345455661 143093013 /nfs/dbraw/zinc/09/30/13/143093013.db2.gz UZMZLGDAWFPJOU-RKVPGOIHSA-N 2 2 348.516 1.707 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000345578032 143107912 /nfs/dbraw/zinc/10/79/12/143107912.db2.gz DWNOCAXDSZCWDY-KRWDZBQOSA-N 2 2 345.491 1.052 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000345578032 143107913 /nfs/dbraw/zinc/10/79/13/143107913.db2.gz DWNOCAXDSZCWDY-KRWDZBQOSA-N 2 2 345.491 1.052 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]2CCOCC2)cc1 ZINC000345710860 143124308 /nfs/dbraw/zinc/12/43/08/143124308.db2.gz KQKWFNNGFMAPMT-LSDHHAIUSA-N 2 2 341.402 1.467 20 0 EDADLP C[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000346108675 143168682 /nfs/dbraw/zinc/16/86/82/143168682.db2.gz LYYJQLGYVXJKHM-INIZCTEOSA-N 2 2 341.459 1.574 20 0 EDADLP C[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000346108675 143168683 /nfs/dbraw/zinc/16/86/83/143168683.db2.gz LYYJQLGYVXJKHM-INIZCTEOSA-N 2 2 341.459 1.574 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000346271990 143185966 /nfs/dbraw/zinc/18/59/66/143185966.db2.gz RJPRBAGWYYUBAU-CJNGLKHVSA-N 2 2 349.479 1.084 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000346271990 143185967 /nfs/dbraw/zinc/18/59/67/143185967.db2.gz RJPRBAGWYYUBAU-CJNGLKHVSA-N 2 2 349.479 1.084 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000346601985 143221041 /nfs/dbraw/zinc/22/10/41/143221041.db2.gz HXVXRHUXZJHTGC-KSZLIROESA-N 3 2 327.513 1.170 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000346601985 143221042 /nfs/dbraw/zinc/22/10/42/143221042.db2.gz HXVXRHUXZJHTGC-KSZLIROESA-N 3 2 327.513 1.170 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346655343 143227245 /nfs/dbraw/zinc/22/72/45/143227245.db2.gz FZYFVDJPHLLYKV-HLLBOEOZSA-N 2 2 330.432 1.871 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346655343 143227246 /nfs/dbraw/zinc/22/72/46/143227246.db2.gz FZYFVDJPHLLYKV-HLLBOEOZSA-N 2 2 330.432 1.871 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)C1)[C@@H]1CCC[NH2+]1 ZINC000346657912 143227484 /nfs/dbraw/zinc/22/74/84/143227484.db2.gz HHGNHSKCVPBSRQ-OCCSQVGLSA-N 2 2 341.406 1.358 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)C1)[C@@H]1CCC[NH2+]1 ZINC000346657912 143227485 /nfs/dbraw/zinc/22/74/85/143227485.db2.gz HHGNHSKCVPBSRQ-OCCSQVGLSA-N 2 2 341.406 1.358 20 0 EDADLP CCOC(=O)c1ccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000346838835 143250454 /nfs/dbraw/zinc/25/04/54/143250454.db2.gz RSOPQRKVLIQVPE-HNNXBMFYSA-N 2 2 332.448 1.380 20 0 EDADLP CCN(CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC000347297100 143305126 /nfs/dbraw/zinc/30/51/26/143305126.db2.gz GNUZAFHVTLVPKA-HNNXBMFYSA-N 2 2 337.430 1.915 20 0 EDADLP CCN(CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC000347297100 143305127 /nfs/dbraw/zinc/30/51/27/143305127.db2.gz GNUZAFHVTLVPKA-HNNXBMFYSA-N 2 2 337.430 1.915 20 0 EDADLP OC[C@H]1CC[C@@H](CO)[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000347299064 143305215 /nfs/dbraw/zinc/30/52/15/143305215.db2.gz XYLIIXSNJDFBGO-CEXWTWQISA-N 2 2 334.460 1.095 20 0 EDADLP OC[C@H]1CC[C@@H](CO)[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000347299064 143305216 /nfs/dbraw/zinc/30/52/16/143305216.db2.gz XYLIIXSNJDFBGO-CEXWTWQISA-N 2 2 334.460 1.095 20 0 EDADLP OC[C@H]1CC[C@@H](CO)[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000347299064 143305218 /nfs/dbraw/zinc/30/52/18/143305218.db2.gz XYLIIXSNJDFBGO-CEXWTWQISA-N 2 2 334.460 1.095 20 0 EDADLP C[C@H](C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO)c1ccccc1 ZINC000347383066 143315126 /nfs/dbraw/zinc/31/51/26/143315126.db2.gz XNCHWMPHKFKZIE-SJORKVTESA-N 2 2 333.476 1.247 20 0 EDADLP C[C@H](C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)CO)c1ccccc1 ZINC000347383066 143315127 /nfs/dbraw/zinc/31/51/27/143315127.db2.gz XNCHWMPHKFKZIE-SJORKVTESA-N 2 2 333.476 1.247 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H]1c1ccccc1 ZINC000347457023 143323862 /nfs/dbraw/zinc/32/38/62/143323862.db2.gz WPKASYMNGQWOFN-RCCFBDPRSA-N 2 2 331.460 1.659 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H]1c1ccccc1 ZINC000347457023 143323863 /nfs/dbraw/zinc/32/38/63/143323863.db2.gz WPKASYMNGQWOFN-RCCFBDPRSA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000347457023 143323864 /nfs/dbraw/zinc/32/38/64/143323864.db2.gz WPKASYMNGQWOFN-RCCFBDPRSA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000347457023 143323865 /nfs/dbraw/zinc/32/38/65/143323865.db2.gz WPKASYMNGQWOFN-RCCFBDPRSA-N 2 2 331.460 1.659 20 0 EDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CSC[NH2+]3)CC2)cc1 ZINC000347633467 143343575 /nfs/dbraw/zinc/34/35/75/143343575.db2.gz DVKLDYWYPYFVPJ-MRXNPFEDSA-N 2 2 335.473 1.392 20 0 EDADLP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CSC[NH2+]3)CC2)cc1 ZINC000347633467 143343576 /nfs/dbraw/zinc/34/35/76/143343576.db2.gz DVKLDYWYPYFVPJ-MRXNPFEDSA-N 2 2 335.473 1.392 20 0 EDADLP CCc1ccc([C@@H](COC)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000347854570 143370564 /nfs/dbraw/zinc/37/05/64/143370564.db2.gz ZLWFNEXMMPZHTF-QGZVFWFLSA-N 2 2 349.475 1.862 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417665510 296580659 /nfs/dbraw/zinc/58/06/59/296580659.db2.gz YVMAJEJQGZLBAS-UGFHNGPFSA-N 2 2 340.418 1.865 20 0 EDADLP CC(C)(C[NH3+])NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416821088 304350247 /nfs/dbraw/zinc/35/02/47/304350247.db2.gz LNANGJVRDJDOBK-GFCCVEGCSA-N 2 2 326.466 1.158 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)nc(C)[nH+]1 ZINC000369864689 155209647 /nfs/dbraw/zinc/20/96/47/155209647.db2.gz PJQGSUJFQPTPIJ-OAHLLOKOSA-N 2 2 328.420 1.534 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)nc(C)[nH+]1 ZINC000369864689 155209650 /nfs/dbraw/zinc/20/96/50/155209650.db2.gz PJQGSUJFQPTPIJ-OAHLLOKOSA-N 2 2 328.420 1.534 20 0 EDADLP Cc1ccccc1-n1nccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352695550 149120002 /nfs/dbraw/zinc/12/00/02/149120002.db2.gz WTWAJPYFGWEFIR-QGZVFWFLSA-N 2 2 325.460 1.660 20 0 EDADLP COc1cc(C[C@H](CO)C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc(OC)c1 ZINC000352808942 149175195 /nfs/dbraw/zinc/17/51/95/149175195.db2.gz DQKGPBCLNXFDPO-DKICVRJWSA-N 2 2 348.487 1.927 20 0 EDADLP COc1cc(C[C@H](CO)C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc(OC)c1 ZINC000352808942 149175197 /nfs/dbraw/zinc/17/51/97/149175197.db2.gz DQKGPBCLNXFDPO-DKICVRJWSA-N 2 2 348.487 1.927 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC=C(c3ccncc3)C2)CC1 ZINC000353174460 149313322 /nfs/dbraw/zinc/31/33/22/149313322.db2.gz QBNSGPLDYLWCFZ-UHFFFAOYSA-N 2 2 328.460 1.771 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC=C(c3ccncc3)C2)CC1 ZINC000353174460 149313324 /nfs/dbraw/zinc/31/33/24/149313324.db2.gz QBNSGPLDYLWCFZ-UHFFFAOYSA-N 2 2 328.460 1.771 20 0 EDADLP CO[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000353220527 149329186 /nfs/dbraw/zinc/32/91/86/149329186.db2.gz PVNLYEANUGSKDD-DLBZAZTESA-N 2 2 333.476 1.859 20 0 EDADLP CO[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000353220527 149329187 /nfs/dbraw/zinc/32/91/87/149329187.db2.gz PVNLYEANUGSKDD-DLBZAZTESA-N 2 2 333.476 1.859 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(C)(C)n1cncn1 ZINC000353582291 149457508 /nfs/dbraw/zinc/45/75/08/149457508.db2.gz QLQNRUHFSBVJHO-UXLLHSPISA-N 2 2 345.495 1.808 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C)C(C)(C)n1cncn1 ZINC000353582291 149457512 /nfs/dbraw/zinc/45/75/12/149457512.db2.gz QLQNRUHFSBVJHO-UXLLHSPISA-N 2 2 345.495 1.808 20 0 EDADLP C[C@H](CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1)OCc1ccccc1 ZINC000354878484 150007773 /nfs/dbraw/zinc/00/77/73/150007773.db2.gz GWSICCAPCZZNNR-QGZVFWFLSA-N 2 2 333.476 1.688 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[NH2+]Cc2csnn2)cc[nH+]1 ZINC000354936148 150041747 /nfs/dbraw/zinc/04/17/47/150041747.db2.gz VIEIQMXNJPARIG-ZYHUDNBSSA-N 2 2 337.428 1.101 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354945639 150048248 /nfs/dbraw/zinc/04/82/48/150048248.db2.gz BLWDSEUHPVWRGR-OAHLLOKOSA-N 2 2 343.471 1.957 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354945639 150048249 /nfs/dbraw/zinc/04/82/49/150048249.db2.gz BLWDSEUHPVWRGR-OAHLLOKOSA-N 2 2 343.471 1.957 20 0 EDADLP CS[C@@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)C[C@@H]1[NH+](C)C ZINC000355289335 150201067 /nfs/dbraw/zinc/20/10/67/150201067.db2.gz VMIDYGGOXMWVJC-QWHCGFSZSA-N 2 2 335.464 1.468 20 0 EDADLP COCC[N@H+](C)CCCC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000355434697 150265924 /nfs/dbraw/zinc/26/59/24/150265924.db2.gz JHBDTVPTGQXVRA-UHFFFAOYSA-N 2 2 336.480 1.939 20 0 EDADLP COCC[N@@H+](C)CCCC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000355434697 150265926 /nfs/dbraw/zinc/26/59/26/150265926.db2.gz JHBDTVPTGQXVRA-UHFFFAOYSA-N 2 2 336.480 1.939 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000355502554 150294852 /nfs/dbraw/zinc/29/48/52/150294852.db2.gz HXXAQKATVVKKKC-UHFFFAOYSA-N 2 2 334.468 1.113 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1)C(C)C ZINC000357625153 151089808 /nfs/dbraw/zinc/08/98/08/151089808.db2.gz HWCJAYALPPAMTO-CVEARBPZSA-N 2 2 327.513 1.797 20 0 EDADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1)C(C)C ZINC000357625153 151089810 /nfs/dbraw/zinc/08/98/10/151089810.db2.gz HWCJAYALPPAMTO-CVEARBPZSA-N 2 2 327.513 1.797 20 0 EDADLP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C1CC[NH+](CCO)CC1 ZINC000357643583 151097772 /nfs/dbraw/zinc/09/77/72/151097772.db2.gz FYGAIGAEKTZZIN-UHFFFAOYSA-N 2 2 345.443 1.061 20 0 EDADLP C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C1CC[NH+](CCO)CC1 ZINC000357643583 151097773 /nfs/dbraw/zinc/09/77/73/151097773.db2.gz FYGAIGAEKTZZIN-UHFFFAOYSA-N 2 2 345.443 1.061 20 0 EDADLP CC(C)CN(CC(C)C)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653028 151103420 /nfs/dbraw/zinc/10/34/20/151103420.db2.gz VUKLFTJOOWMYAN-UHFFFAOYSA-N 2 2 327.513 1.516 20 0 EDADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653028 151103422 /nfs/dbraw/zinc/10/34/22/151103422.db2.gz VUKLFTJOOWMYAN-UHFFFAOYSA-N 2 2 327.513 1.516 20 0 EDADLP O=C1[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCCN1c1ccccc1 ZINC000357779472 151149190 /nfs/dbraw/zinc/14/91/90/151149190.db2.gz JXDDNXSLQSLKTQ-PKOBYXMFSA-N 2 2 343.471 1.836 20 0 EDADLP O=C1[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCCN1c1ccccc1 ZINC000357779472 151149192 /nfs/dbraw/zinc/14/91/92/151149192.db2.gz JXDDNXSLQSLKTQ-PKOBYXMFSA-N 2 2 343.471 1.836 20 0 EDADLP C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CC[NH+](CCO)CC1 ZINC000358028871 151239866 /nfs/dbraw/zinc/23/98/66/151239866.db2.gz VMMGODUQUCAOSO-UHFFFAOYSA-N 2 2 330.432 1.266 20 0 EDADLP C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CC[NH+](CCO)CC1 ZINC000358028871 151239868 /nfs/dbraw/zinc/23/98/68/151239868.db2.gz VMMGODUQUCAOSO-UHFFFAOYSA-N 2 2 330.432 1.266 20 0 EDADLP COCC1(CNC(=O)NCCCNc2cccc[nH+]2)CC[NH2+]CC1 ZINC000417080308 304370960 /nfs/dbraw/zinc/37/09/60/304370960.db2.gz ONAGBCHNTHSWHT-UHFFFAOYSA-N 2 2 335.452 1.199 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000370108674 155326776 /nfs/dbraw/zinc/32/67/76/155326776.db2.gz AXCINKUVJOJDRZ-OAHLLOKOSA-N 2 2 333.480 1.745 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000370108674 155326778 /nfs/dbraw/zinc/32/67/78/155326778.db2.gz AXCINKUVJOJDRZ-OAHLLOKOSA-N 2 2 333.480 1.745 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)c1ccsc1 ZINC000360501211 152070436 /nfs/dbraw/zinc/07/04/36/152070436.db2.gz XKPWHRPCJRYFNL-OAHLLOKOSA-N 2 2 337.489 1.722 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552899 152092331 /nfs/dbraw/zinc/09/23/31/152092331.db2.gz PSEQVVXAYFVCGP-CLCXKQKWSA-N 2 2 345.443 1.017 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552899 152092335 /nfs/dbraw/zinc/09/23/35/152092335.db2.gz PSEQVVXAYFVCGP-CLCXKQKWSA-N 2 2 345.443 1.017 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360561400 152097731 /nfs/dbraw/zinc/09/77/31/152097731.db2.gz ITXBMZFEXRTJDB-LJQANCHMSA-N 2 2 347.459 1.013 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360561400 152097732 /nfs/dbraw/zinc/09/77/32/152097732.db2.gz ITXBMZFEXRTJDB-LJQANCHMSA-N 2 2 347.459 1.013 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000360639091 152134196 /nfs/dbraw/zinc/13/41/96/152134196.db2.gz PUNYJADBVVJXPF-AOIWGVFYSA-N 2 2 349.519 1.820 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000360639091 152134197 /nfs/dbraw/zinc/13/41/97/152134197.db2.gz PUNYJADBVVJXPF-AOIWGVFYSA-N 2 2 349.519 1.820 20 0 EDADLP CCOc1ccccc1C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000360637052 152134301 /nfs/dbraw/zinc/13/43/01/152134301.db2.gz KQFZJSWLNKBMMQ-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP CCOc1ccccc1C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000360637052 152134302 /nfs/dbraw/zinc/13/43/02/152134302.db2.gz KQFZJSWLNKBMMQ-UHFFFAOYSA-N 2 2 331.460 1.824 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000360720185 152168735 /nfs/dbraw/zinc/16/87/35/152168735.db2.gz YNVIPEAHDLKHSV-RHSMWYFYSA-N 2 2 337.489 1.656 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000360720185 152168737 /nfs/dbraw/zinc/16/87/37/152168737.db2.gz YNVIPEAHDLKHSV-RHSMWYFYSA-N 2 2 337.489 1.656 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000360930223 152255391 /nfs/dbraw/zinc/25/53/91/152255391.db2.gz ZSHORHOFALMWDO-NZSAHSFTSA-N 2 2 343.471 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000360930223 152255395 /nfs/dbraw/zinc/25/53/95/152255395.db2.gz ZSHORHOFALMWDO-NZSAHSFTSA-N 2 2 343.471 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000360930223 152255397 /nfs/dbraw/zinc/25/53/97/152255397.db2.gz ZSHORHOFALMWDO-NZSAHSFTSA-N 2 2 343.471 1.728 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000360930223 152255399 /nfs/dbraw/zinc/25/53/99/152255399.db2.gz ZSHORHOFALMWDO-NZSAHSFTSA-N 2 2 343.471 1.728 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CO)CC(C)(C)C)C2)CC1 ZINC000361277518 152351918 /nfs/dbraw/zinc/35/19/18/152351918.db2.gz BUXLCJNFGWHZRF-LSDHHAIUSA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CO)CC(C)(C)C)C2)CC1 ZINC000361277518 152351920 /nfs/dbraw/zinc/35/19/20/152351920.db2.gz BUXLCJNFGWHZRF-LSDHHAIUSA-N 2 2 340.512 1.251 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+](CCS(=O)(=O)C(C)C)CC2)CC1 ZINC000370167574 155360425 /nfs/dbraw/zinc/36/04/25/155360425.db2.gz RDDJPIGFWBDHQA-UHFFFAOYSA-N 2 2 345.553 1.302 20 0 EDADLP CCc1nc(CN2C[C@@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@@H]3C2)no1 ZINC000363858386 153076640 /nfs/dbraw/zinc/07/66/40/153076640.db2.gz VEZSQIIXWZZHSQ-GASCZTMLSA-N 2 2 342.447 1.915 20 0 EDADLP CCc1nc(C[N@H+]2C[C@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@H]3C2)no1 ZINC000363858386 153076643 /nfs/dbraw/zinc/07/66/43/153076643.db2.gz VEZSQIIXWZZHSQ-GASCZTMLSA-N 2 2 342.447 1.915 20 0 EDADLP CCc1nc(C[N@@H+]2C[C@H]3CN(c4nc(C)[nH+]c(C)c4C)C[C@H]3C2)no1 ZINC000363858386 153076644 /nfs/dbraw/zinc/07/66/44/153076644.db2.gz VEZSQIIXWZZHSQ-GASCZTMLSA-N 2 2 342.447 1.915 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C[C@H](C)[N@H+]1CCO ZINC000364178025 153165174 /nfs/dbraw/zinc/16/51/74/153165174.db2.gz CYKTYBGJPSHCFD-BBWFWOEESA-N 2 2 346.475 1.212 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C[C@H](C)[N@@H+]1CCO ZINC000364178025 153165176 /nfs/dbraw/zinc/16/51/76/153165176.db2.gz CYKTYBGJPSHCFD-BBWFWOEESA-N 2 2 346.475 1.212 20 0 EDADLP CC(C)Cn1ncnc1C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364344925 153211790 /nfs/dbraw/zinc/21/17/90/153211790.db2.gz UCEOBOWDYQEQBW-GVDBMIGSSA-N 2 2 335.496 1.913 20 0 EDADLP CC(C)Cn1ncnc1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364344925 153211792 /nfs/dbraw/zinc/21/17/92/153211792.db2.gz UCEOBOWDYQEQBW-GVDBMIGSSA-N 2 2 335.496 1.913 20 0 EDADLP COc1ccnc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000364537148 153262431 /nfs/dbraw/zinc/26/24/31/153262431.db2.gz NZKYROAAPRPDHG-MRXNPFEDSA-N 2 2 348.491 1.699 20 0 EDADLP COc1ccnc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1OC ZINC000364537148 153262434 /nfs/dbraw/zinc/26/24/34/153262434.db2.gz NZKYROAAPRPDHG-MRXNPFEDSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@@H](C)[NH+]1CCO ZINC000364555335 153268740 /nfs/dbraw/zinc/26/87/40/153268740.db2.gz PDPLFDSPZLBTHE-NUJGCVRESA-N 2 2 331.460 1.174 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@@H](C)[NH+]1CCO ZINC000364555335 153268741 /nfs/dbraw/zinc/26/87/41/153268741.db2.gz PDPLFDSPZLBTHE-NUJGCVRESA-N 2 2 331.460 1.174 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000364630744 153289973 /nfs/dbraw/zinc/28/99/73/153289973.db2.gz LNZWWDOECCNFOB-CABCVRRESA-N 2 2 348.491 1.553 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000364630744 153289976 /nfs/dbraw/zinc/28/99/76/153289976.db2.gz LNZWWDOECCNFOB-CABCVRRESA-N 2 2 348.491 1.553 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000367159300 154026469 /nfs/dbraw/zinc/02/64/69/154026469.db2.gz WCZHOFGITAQTNU-QGZVFWFLSA-N 2 2 336.480 1.867 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000367301112 154071510 /nfs/dbraw/zinc/07/15/10/154071510.db2.gz XPIBQAGWOUYXAH-SJORKVTESA-N 2 2 339.480 1.334 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000367301112 154071513 /nfs/dbraw/zinc/07/15/13/154071513.db2.gz XPIBQAGWOUYXAH-SJORKVTESA-N 2 2 339.480 1.334 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCN2CCNC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000367359861 154087888 /nfs/dbraw/zinc/08/78/88/154087888.db2.gz CGWQYVNJRFWEEC-WMZOPIPTSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCN2CCNC2=O)CC[N@H+]1Cc1ccccc1 ZINC000367359861 154087891 /nfs/dbraw/zinc/08/78/91/154087891.db2.gz CGWQYVNJRFWEEC-WMZOPIPTSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CCN2CCNC2=O)CC[NH+]1Cc1ccccc1 ZINC000367359861 154087893 /nfs/dbraw/zinc/08/78/93/154087893.db2.gz CGWQYVNJRFWEEC-WMZOPIPTSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2CCNC2=O)CC[NH+]1Cc1ccccc1 ZINC000367359861 154087897 /nfs/dbraw/zinc/08/78/97/154087897.db2.gz CGWQYVNJRFWEEC-WMZOPIPTSA-N 2 2 330.476 1.997 20 0 EDADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(S(N)(=O)=O)cc1 ZINC000367435708 154121417 /nfs/dbraw/zinc/12/14/17/154121417.db2.gz COKZMPNCTJEBNG-LBPRGKRZSA-N 2 2 334.445 1.718 20 0 EDADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)c1 ZINC000367618845 154200211 /nfs/dbraw/zinc/20/02/11/154200211.db2.gz OJOCBGBTUWSJNE-QGZVFWFLSA-N 2 2 341.459 1.868 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000367649753 154212922 /nfs/dbraw/zinc/21/29/22/154212922.db2.gz XCYAHVVOFWVQOQ-INIZCTEOSA-N 2 2 332.448 1.479 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000367797049 154273864 /nfs/dbraw/zinc/27/38/64/154273864.db2.gz WKSOSQYKNIWUNP-INIZCTEOSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000367797049 154273870 /nfs/dbraw/zinc/27/38/70/154273870.db2.gz WKSOSQYKNIWUNP-INIZCTEOSA-N 2 2 339.480 1.203 20 0 EDADLP c1nc(C2OCCO2)sc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368018156 154370540 /nfs/dbraw/zinc/37/05/40/154370540.db2.gz IWDXLQXILBMSMG-VXGBXAGGSA-N 2 2 325.434 1.141 20 0 EDADLP c1nc(C2OCCO2)sc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368018156 154370544 /nfs/dbraw/zinc/37/05/44/154370544.db2.gz IWDXLQXILBMSMG-VXGBXAGGSA-N 2 2 325.434 1.141 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)c1cc(N2CCSCC2)nc[nH+]1 ZINC000369549840 155082205 /nfs/dbraw/zinc/08/22/05/155082205.db2.gz JWHXBWCFLMAREF-AWEZNQCLSA-N 2 2 344.488 1.925 20 0 EDADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)c1cc(N2CCSCC2)[nH+]cn1 ZINC000369549840 155082208 /nfs/dbraw/zinc/08/22/08/155082208.db2.gz JWHXBWCFLMAREF-AWEZNQCLSA-N 2 2 344.488 1.925 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)nc12 ZINC000369603678 155105600 /nfs/dbraw/zinc/10/56/00/155105600.db2.gz YYZYHXGVXJTULD-BPQIPLTHSA-N 2 2 338.455 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)nc12 ZINC000369603678 155105601 /nfs/dbraw/zinc/10/56/01/155105601.db2.gz YYZYHXGVXJTULD-BPQIPLTHSA-N 2 2 338.455 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)nc12 ZINC000369603678 155105604 /nfs/dbraw/zinc/10/56/04/155105604.db2.gz YYZYHXGVXJTULD-BPQIPLTHSA-N 2 2 338.455 1.919 20 0 EDADLP Cc1cccn2c(=O)cc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)nc12 ZINC000369603678 155105609 /nfs/dbraw/zinc/10/56/09/155105609.db2.gz YYZYHXGVXJTULD-BPQIPLTHSA-N 2 2 338.455 1.919 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC3CCCCCC3)C2)CC1 ZINC000371591123 156020914 /nfs/dbraw/zinc/02/09/14/156020914.db2.gz APSYGGXZKLXNRK-GOSISDBHSA-N 2 2 336.524 1.537 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC3CCCCCC3)C2)CC1 ZINC000371591123 156020918 /nfs/dbraw/zinc/02/09/18/156020918.db2.gz APSYGGXZKLXNRK-GOSISDBHSA-N 2 2 336.524 1.537 20 0 EDADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000371662764 156050374 /nfs/dbraw/zinc/05/03/74/156050374.db2.gz BKAYXGFLGUHOSW-RYRKJORJSA-N 2 2 333.476 1.899 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000371812290 156117593 /nfs/dbraw/zinc/11/75/93/156117593.db2.gz DCTIYDNKCUPKFE-QGZVFWFLSA-N 2 2 349.500 1.895 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000371812290 156117598 /nfs/dbraw/zinc/11/75/98/156117598.db2.gz DCTIYDNKCUPKFE-QGZVFWFLSA-N 2 2 349.500 1.895 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C[N@@H+]1C1CC1 ZINC000371891409 156153483 /nfs/dbraw/zinc/15/34/83/156153483.db2.gz HKVMMNJEUJVMFI-HFTRVMKXSA-N 2 2 328.460 1.787 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C[N@H+]1C1CC1 ZINC000371891409 156153486 /nfs/dbraw/zinc/15/34/86/156153486.db2.gz HKVMMNJEUJVMFI-HFTRVMKXSA-N 2 2 328.460 1.787 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C[NH+]1C1CC1 ZINC000371891409 156153491 /nfs/dbraw/zinc/15/34/91/156153491.db2.gz HKVMMNJEUJVMFI-HFTRVMKXSA-N 2 2 328.460 1.787 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C[NH+]1C1CC1 ZINC000371891409 156153494 /nfs/dbraw/zinc/15/34/94/156153494.db2.gz HKVMMNJEUJVMFI-HFTRVMKXSA-N 2 2 328.460 1.787 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCC[N@H+](CC[C@@H]2CCOC2=O)CC1 ZINC000371891716 156154048 /nfs/dbraw/zinc/15/40/48/156154048.db2.gz LNHPVSXWEYUFRT-MRXNPFEDSA-N 2 2 334.464 1.925 20 0 EDADLP CC(C)n1cc[nH+]c1CN1CCC[N@@H+](CC[C@@H]2CCOC2=O)CC1 ZINC000371891716 156154050 /nfs/dbraw/zinc/15/40/50/156154050.db2.gz LNHPVSXWEYUFRT-MRXNPFEDSA-N 2 2 334.464 1.925 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266901552 292338533 /nfs/dbraw/zinc/33/85/33/292338533.db2.gz LPROTYPVRQGTBC-UHFFFAOYSA-N 2 2 349.475 1.217 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266901552 292338536 /nfs/dbraw/zinc/33/85/36/292338536.db2.gz LPROTYPVRQGTBC-UHFFFAOYSA-N 2 2 349.475 1.217 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000372045925 156223324 /nfs/dbraw/zinc/22/33/24/156223324.db2.gz ICQRMNLYLIBUQH-FCGDIQPGSA-N 3 2 339.524 1.434 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000372045925 156223326 /nfs/dbraw/zinc/22/33/26/156223326.db2.gz ICQRMNLYLIBUQH-FCGDIQPGSA-N 3 2 339.524 1.434 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372064570 156229567 /nfs/dbraw/zinc/22/95/67/156229567.db2.gz GEHLPPGFJPKSRX-NCXUSEDFSA-N 3 2 338.540 1.101 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372064570 156229570 /nfs/dbraw/zinc/22/95/70/156229570.db2.gz GEHLPPGFJPKSRX-NCXUSEDFSA-N 3 2 338.540 1.101 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)c1C ZINC000373829860 157023908 /nfs/dbraw/zinc/02/39/08/157023908.db2.gz FRTMMSXPFROPHG-INIZCTEOSA-N 2 2 335.448 1.775 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)c1C ZINC000373829860 157023910 /nfs/dbraw/zinc/02/39/10/157023910.db2.gz FRTMMSXPFROPHG-INIZCTEOSA-N 2 2 335.448 1.775 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CSCC[NH+]2Cc2ccccc2)C1 ZINC000373879826 157045629 /nfs/dbraw/zinc/04/56/29/157045629.db2.gz CSXPCIPHGOMCOX-SJORKVTESA-N 2 2 349.500 1.051 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CSCC[NH+]2Cc2ccccc2)C1 ZINC000373879826 157045632 /nfs/dbraw/zinc/04/56/32/157045632.db2.gz CSXPCIPHGOMCOX-SJORKVTESA-N 2 2 349.500 1.051 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000373879826 157045634 /nfs/dbraw/zinc/04/56/34/157045634.db2.gz CSXPCIPHGOMCOX-SJORKVTESA-N 2 2 349.500 1.051 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000373879826 157045635 /nfs/dbraw/zinc/04/56/35/157045635.db2.gz CSXPCIPHGOMCOX-SJORKVTESA-N 2 2 349.500 1.051 20 0 EDADLP Fc1cncc([C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C2CC2)c1 ZINC000374186801 157185971 /nfs/dbraw/zinc/18/59/71/157185971.db2.gz IXSPCFUFDAERSO-OALUTQOASA-N 2 2 348.466 1.668 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccn1 ZINC000374258580 157218202 /nfs/dbraw/zinc/21/82/02/157218202.db2.gz LNDBSIWIVYBGEN-CVEARBPZSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccn1 ZINC000374258580 157218206 /nfs/dbraw/zinc/21/82/06/157218206.db2.gz LNDBSIWIVYBGEN-CVEARBPZSA-N 2 2 345.491 1.953 20 0 EDADLP C[N@H+](C[C@H]1CC12CC[NH+](CC(=O)Nc1nncs1)CC2)C1CC1 ZINC000374306965 157234715 /nfs/dbraw/zinc/23/47/15/157234715.db2.gz BWEXATSMGIJJKG-GFCCVEGCSA-N 2 2 335.477 1.673 20 0 EDADLP C[N@@H+](C[C@H]1CC12CC[NH+](CC(=O)Nc1nncs1)CC2)C1CC1 ZINC000374306965 157234717 /nfs/dbraw/zinc/23/47/17/157234717.db2.gz BWEXATSMGIJJKG-GFCCVEGCSA-N 2 2 335.477 1.673 20 0 EDADLP O=C(C[NH+]1CCC2(CCO2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000374379575 157268089 /nfs/dbraw/zinc/26/80/89/157268089.db2.gz XFSIFTZCFLJSEE-UHFFFAOYSA-N 2 2 333.432 1.179 20 0 EDADLP COCCN(C)c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000377826661 158001898 /nfs/dbraw/zinc/00/18/98/158001898.db2.gz OTNLGJSTQYOWFB-MRXNPFEDSA-N 2 2 329.448 1.887 20 0 EDADLP COCCN(C)c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cn1 ZINC000377826661 158001899 /nfs/dbraw/zinc/00/18/99/158001899.db2.gz OTNLGJSTQYOWFB-MRXNPFEDSA-N 2 2 329.448 1.887 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378076711 158072835 /nfs/dbraw/zinc/07/28/35/158072835.db2.gz YDYLBXNOKVRKAQ-HOTGVXAUSA-N 2 2 341.459 1.739 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378076711 158072838 /nfs/dbraw/zinc/07/28/38/158072838.db2.gz YDYLBXNOKVRKAQ-HOTGVXAUSA-N 2 2 341.459 1.739 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1cccnc1 ZINC000378361668 158152602 /nfs/dbraw/zinc/15/26/02/158152602.db2.gz TUMBKHVUPJMIHB-HZPDHXFCSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1cccnc1 ZINC000378361668 158152605 /nfs/dbraw/zinc/15/26/05/158152605.db2.gz TUMBKHVUPJMIHB-HZPDHXFCSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[NH+]1CCSCC1 ZINC000130643935 286776895 /nfs/dbraw/zinc/77/68/95/286776895.db2.gz QPCXRRYLYGPNBF-QWHCGFSZSA-N 2 2 327.519 1.904 20 0 EDADLP CC[N@H+](CCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C(C)C ZINC000353826237 162263307 /nfs/dbraw/zinc/26/33/07/162263307.db2.gz FBMTVTKYAANIFO-OAHLLOKOSA-N 2 2 336.484 1.149 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1)C(C)C ZINC000353826237 162263309 /nfs/dbraw/zinc/26/33/09/162263309.db2.gz FBMTVTKYAANIFO-OAHLLOKOSA-N 2 2 336.484 1.149 20 0 EDADLP CCC[NH2+]CCNC(=O)N[C@H](c1[nH+]ccn1CC)C1CCOCC1 ZINC000418176395 304459710 /nfs/dbraw/zinc/45/97/10/304459710.db2.gz GWLWTHFXGUAYON-HNNXBMFYSA-N 2 2 337.468 1.670 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC(=O)NCc1ccco1 ZINC000075860056 287279510 /nfs/dbraw/zinc/27/95/10/287279510.db2.gz IWUWRJQIISSYDI-AWEZNQCLSA-N 2 2 336.436 1.412 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC(=O)NCc1ccco1 ZINC000075860056 287279511 /nfs/dbraw/zinc/27/95/11/287279511.db2.gz IWUWRJQIISSYDI-AWEZNQCLSA-N 2 2 336.436 1.412 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC(=O)NCc1ccco1 ZINC000075860056 287279514 /nfs/dbraw/zinc/27/95/14/287279514.db2.gz IWUWRJQIISSYDI-AWEZNQCLSA-N 2 2 336.436 1.412 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC(=O)NCc1ccco1 ZINC000075860056 287279516 /nfs/dbraw/zinc/27/95/16/287279516.db2.gz IWUWRJQIISSYDI-AWEZNQCLSA-N 2 2 336.436 1.412 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)s1 ZINC000418353824 304484360 /nfs/dbraw/zinc/48/43/60/304484360.db2.gz AVUJGASGBROUOE-AWEZNQCLSA-N 2 2 336.505 1.890 20 0 EDADLP C[C@@H](Cn1cccn1)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000122309448 222057563 /nfs/dbraw/zinc/05/75/63/222057563.db2.gz WVRLYNURLBCQGK-KRWDZBQOSA-N 2 2 344.459 1.772 20 0 EDADLP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000418486574 304501731 /nfs/dbraw/zinc/50/17/31/304501731.db2.gz IKFUGKCETOLLOL-HUUCEWRRSA-N 2 2 334.464 1.568 20 0 EDADLP CC[NH+]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000193975621 273000216 /nfs/dbraw/zinc/00/02/16/273000216.db2.gz DRYVJBZBTYUXCW-UHFFFAOYSA-N 2 2 327.432 1.779 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000273256492 268005566 /nfs/dbraw/zinc/00/55/66/268005566.db2.gz YSXTVSMMDDVNGA-GDBMZVCRSA-N 2 2 345.447 1.321 20 0 EDADLP CC[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000273256492 268005568 /nfs/dbraw/zinc/00/55/68/268005568.db2.gz YSXTVSMMDDVNGA-GDBMZVCRSA-N 2 2 345.447 1.321 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc[nH+]1 ZINC000274134495 268107996 /nfs/dbraw/zinc/10/79/96/268107996.db2.gz DBIKDRZSXPFYCB-HOTGVXAUSA-N 2 2 344.463 1.243 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc[nH+]1 ZINC000274134495 268107998 /nfs/dbraw/zinc/10/79/98/268107998.db2.gz DBIKDRZSXPFYCB-HOTGVXAUSA-N 2 2 344.463 1.243 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274348310 273086773 /nfs/dbraw/zinc/08/67/73/273086773.db2.gz JYLYHBLYDRKPDD-CQSZACIVSA-N 2 2 332.452 1.041 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274348310 273086774 /nfs/dbraw/zinc/08/67/74/273086774.db2.gz JYLYHBLYDRKPDD-CQSZACIVSA-N 2 2 332.452 1.041 20 0 EDADLP CC1CC[NH+](CCCNc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274349281 273086874 /nfs/dbraw/zinc/08/68/74/273086874.db2.gz KFWWRLRROWPFSQ-UHFFFAOYSA-N 2 2 346.479 1.289 20 0 EDADLP CC1CC[NH+](CCCNc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000274349281 273086876 /nfs/dbraw/zinc/08/68/76/273086876.db2.gz KFWWRLRROWPFSQ-UHFFFAOYSA-N 2 2 346.479 1.289 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000275706063 273120668 /nfs/dbraw/zinc/12/06/68/273120668.db2.gz UQMJKUXNERPGSY-GJZGRUSLSA-N 2 2 349.479 1.651 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)ccc2[nH+]1 ZINC000276075887 273147743 /nfs/dbraw/zinc/14/77/43/273147743.db2.gz ORYGSVFRIBRJSC-SWLSCSKDSA-N 2 2 343.431 1.380 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)ccc2[nH+]1 ZINC000276075887 273147744 /nfs/dbraw/zinc/14/77/44/273147744.db2.gz ORYGSVFRIBRJSC-SWLSCSKDSA-N 2 2 343.431 1.380 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000276077994 273148092 /nfs/dbraw/zinc/14/80/92/273148092.db2.gz DFLVDHUGUSDHMD-CABCVRRESA-N 2 2 330.432 1.722 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000276077994 273148093 /nfs/dbraw/zinc/14/80/93/273148093.db2.gz DFLVDHUGUSDHMD-CABCVRRESA-N 2 2 330.432 1.722 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)ccc2[nH+]1 ZINC000276118498 273150047 /nfs/dbraw/zinc/15/00/47/273150047.db2.gz OXDROQAIBYEFGZ-ZDUSSCGKSA-N 2 2 341.415 1.348 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)ccc2[nH+]1 ZINC000276118498 273150049 /nfs/dbraw/zinc/15/00/49/273150049.db2.gz OXDROQAIBYEFGZ-ZDUSSCGKSA-N 2 2 341.415 1.348 20 0 EDADLP CCOCC[NH+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277286194 273187662 /nfs/dbraw/zinc/18/76/62/273187662.db2.gz BFRULGUVRWRDMW-UHFFFAOYSA-N 2 2 337.493 1.188 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccnn1C ZINC000278161404 273250322 /nfs/dbraw/zinc/25/03/22/273250322.db2.gz BNTWMODJDIOKTR-HNNXBMFYSA-N 2 2 341.459 1.659 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278296319 273258755 /nfs/dbraw/zinc/25/87/55/273258755.db2.gz HLVFHLQUWZSHTP-AWEZNQCLSA-N 2 2 340.431 1.412 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000279767337 273325362 /nfs/dbraw/zinc/32/53/62/273325362.db2.gz JXDNYRVHFIKSJI-LLVKDONJSA-N 2 2 338.358 1.070 20 0 EDADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000279767337 273325363 /nfs/dbraw/zinc/32/53/63/273325363.db2.gz JXDNYRVHFIKSJI-LLVKDONJSA-N 2 2 338.358 1.070 20 0 EDADLP O=C(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC[C@H]1CCCO1 ZINC000280214373 273353092 /nfs/dbraw/zinc/35/30/92/273353092.db2.gz AGSAKVOBFXZSOB-CEXWTWQISA-N 2 2 343.471 1.345 20 0 EDADLP O=C(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC[C@H]1CCCO1 ZINC000280214373 273353093 /nfs/dbraw/zinc/35/30/93/273353093.db2.gz AGSAKVOBFXZSOB-CEXWTWQISA-N 2 2 343.471 1.345 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)NC[C@H]1CCCO1 ZINC000280214373 273353094 /nfs/dbraw/zinc/35/30/94/273353094.db2.gz AGSAKVOBFXZSOB-CEXWTWQISA-N 2 2 343.471 1.345 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)NC[C@H]1CCCO1 ZINC000280214373 273353095 /nfs/dbraw/zinc/35/30/95/273353095.db2.gz AGSAKVOBFXZSOB-CEXWTWQISA-N 2 2 343.471 1.345 20 0 EDADLP CS(=O)(=O)C1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000281279889 273456519 /nfs/dbraw/zinc/45/65/19/273456519.db2.gz XKTLXYKLFPXSFO-UHFFFAOYSA-N 2 2 344.400 1.200 20 0 EDADLP COc1ccccc1-n1nccc1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000281860580 273543397 /nfs/dbraw/zinc/54/33/97/273543397.db2.gz YYJLUBNDMUHWFY-MRXNPFEDSA-N 2 2 344.459 1.939 20 0 EDADLP CNC(=O)[C@H](C)C[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283922410 274012324 /nfs/dbraw/zinc/01/23/24/274012324.db2.gz CGCWPHNFJIUMOO-AEFFLSMTSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283922410 274012325 /nfs/dbraw/zinc/01/23/25/274012325.db2.gz CGCWPHNFJIUMOO-AEFFLSMTSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@H](C)C[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283922410 274012326 /nfs/dbraw/zinc/01/23/26/274012326.db2.gz CGCWPHNFJIUMOO-AEFFLSMTSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@H](C)C[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283922410 274012327 /nfs/dbraw/zinc/01/23/27/274012327.db2.gz CGCWPHNFJIUMOO-AEFFLSMTSA-N 2 2 333.476 1.591 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000284527134 274234284 /nfs/dbraw/zinc/23/42/84/274234284.db2.gz OVEUIUWIDRUOON-SJLPKXTDSA-N 2 2 347.459 1.172 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000284527134 274234285 /nfs/dbraw/zinc/23/42/85/274234285.db2.gz OVEUIUWIDRUOON-SJLPKXTDSA-N 2 2 347.459 1.172 20 0 EDADLP CO[C@H]1C[C@@H](C(N)=O)[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000284594781 274257422 /nfs/dbraw/zinc/25/74/22/274257422.db2.gz PJDRQEGDMYBPHQ-IRXDYDNUSA-N 2 2 333.476 1.719 20 0 EDADLP CO[C@H]1C[C@@H](C(N)=O)[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000284594781 274257423 /nfs/dbraw/zinc/25/74/23/274257423.db2.gz PJDRQEGDMYBPHQ-IRXDYDNUSA-N 2 2 333.476 1.719 20 0 EDADLP CO[C@H]1C[C@@H](C(N)=O)[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000284594781 274257427 /nfs/dbraw/zinc/25/74/27/274257427.db2.gz PJDRQEGDMYBPHQ-IRXDYDNUSA-N 2 2 333.476 1.719 20 0 EDADLP CO[C@H]1C[C@@H](C(N)=O)[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000284594781 274257429 /nfs/dbraw/zinc/25/74/29/274257429.db2.gz PJDRQEGDMYBPHQ-IRXDYDNUSA-N 2 2 333.476 1.719 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccc3)C[C@H]21 ZINC000284641009 274275717 /nfs/dbraw/zinc/27/57/17/274275717.db2.gz VQMXFSQVEPBSGT-GUDVDZBRSA-N 2 2 343.471 1.583 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccc3)C[C@H]21 ZINC000284641009 274275719 /nfs/dbraw/zinc/27/57/19/274275719.db2.gz VQMXFSQVEPBSGT-GUDVDZBRSA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)C[C@H]21 ZINC000284641009 274275722 /nfs/dbraw/zinc/27/57/22/274275722.db2.gz VQMXFSQVEPBSGT-GUDVDZBRSA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)C[C@H]21 ZINC000284641009 274275725 /nfs/dbraw/zinc/27/57/25/274275725.db2.gz VQMXFSQVEPBSGT-GUDVDZBRSA-N 2 2 343.471 1.583 20 0 EDADLP COCc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)c1 ZINC000284715984 274305803 /nfs/dbraw/zinc/30/58/03/274305803.db2.gz ZXSMOEXPFVTRNB-CRAIPNDOSA-N 2 2 328.416 1.676 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000373206689 274356085 /nfs/dbraw/zinc/35/60/85/274356085.db2.gz UNPVFCGENBNXCN-MJGOQNOKSA-N 2 2 344.503 1.746 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000373206689 274356087 /nfs/dbraw/zinc/35/60/87/274356087.db2.gz UNPVFCGENBNXCN-MJGOQNOKSA-N 2 2 344.503 1.746 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000354831789 276195587 /nfs/dbraw/zinc/19/55/87/276195587.db2.gz PFQCLVLJMGCXMI-HOTGVXAUSA-N 2 2 333.480 1.150 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000354831789 276195588 /nfs/dbraw/zinc/19/55/88/276195588.db2.gz PFQCLVLJMGCXMI-HOTGVXAUSA-N 2 2 333.480 1.150 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000151870552 277387278 /nfs/dbraw/zinc/38/72/78/277387278.db2.gz YCOBELAJWWQWBS-BRWVUGGUSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000151870552 277387281 /nfs/dbraw/zinc/38/72/81/277387281.db2.gz YCOBELAJWWQWBS-BRWVUGGUSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000151870552 277387282 /nfs/dbraw/zinc/38/72/82/277387282.db2.gz YCOBELAJWWQWBS-BRWVUGGUSA-N 2 2 338.496 1.221 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000151870552 277387283 /nfs/dbraw/zinc/38/72/83/277387283.db2.gz YCOBELAJWWQWBS-BRWVUGGUSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802901 278189036 /nfs/dbraw/zinc/18/90/36/278189036.db2.gz GDQPLWPZJCRYMP-ZWKOTPCHSA-N 2 2 337.508 1.822 20 0 EDADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802901 278189038 /nfs/dbraw/zinc/18/90/38/278189038.db2.gz GDQPLWPZJCRYMP-ZWKOTPCHSA-N 2 2 337.508 1.822 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1C[NH+](C2CC2)CCO1)[N@H+](C)Cc1ccccc1 ZINC000343335168 278208602 /nfs/dbraw/zinc/20/86/02/278208602.db2.gz CFRPIPJBCVWEJE-YJBOKZPZSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1C[NH+](C2CC2)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000343335168 278208603 /nfs/dbraw/zinc/20/86/03/278208603.db2.gz CFRPIPJBCVWEJE-YJBOKZPZSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343335168 278208604 /nfs/dbraw/zinc/20/86/04/278208604.db2.gz CFRPIPJBCVWEJE-YJBOKZPZSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343335168 278208606 /nfs/dbraw/zinc/20/86/06/278208606.db2.gz CFRPIPJBCVWEJE-YJBOKZPZSA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417221955 278229787 /nfs/dbraw/zinc/22/97/87/278229787.db2.gz PEXHKMMSQJACEB-IUCAKERBSA-N 2 2 340.225 1.632 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000286619700 288047416 /nfs/dbraw/zinc/04/74/16/288047416.db2.gz CGPBEJYXIXPBCH-KBAYOESNSA-N 2 2 331.460 1.611 20 0 EDADLP CCC(CC)[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1CCOCC1 ZINC000359373290 278603054 /nfs/dbraw/zinc/60/30/54/278603054.db2.gz VCJCLOPVWRWQLH-SFHVURJKSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000343579609 279092660 /nfs/dbraw/zinc/09/26/60/279092660.db2.gz LZKRVZQDNBUPQZ-QGZVFWFLSA-N 3 2 338.540 1.593 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3OC[C@H]2C)CC1 ZINC000359871691 279259763 /nfs/dbraw/zinc/25/97/63/279259763.db2.gz JGCBDYKMYUNEES-OAHLLOKOSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3OC[C@H]2C)CC1 ZINC000359871691 279259765 /nfs/dbraw/zinc/25/97/65/279259765.db2.gz JGCBDYKMYUNEES-OAHLLOKOSA-N 2 2 331.460 1.870 20 0 EDADLP CC(C)[C@H](C(=O)N1CCC[NH+](C2CC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000250426372 280144650 /nfs/dbraw/zinc/14/46/50/280144650.db2.gz GEQZZRWZZYGZEG-SOLBZPMBSA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@H](C(=O)N1CCC[NH+](C2CC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000250426372 280144653 /nfs/dbraw/zinc/14/46/53/280144653.db2.gz GEQZZRWZZYGZEG-SOLBZPMBSA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@H](C(=O)N1CCC[N@@H+](C2CC2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000250426372 280144658 /nfs/dbraw/zinc/14/46/58/280144658.db2.gz GEQZZRWZZYGZEG-SOLBZPMBSA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@H](C(=O)N1CCC[N@H+](C2CC2)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000250426372 280144661 /nfs/dbraw/zinc/14/46/61/280144661.db2.gz GEQZZRWZZYGZEG-SOLBZPMBSA-N 2 2 337.508 1.817 20 0 EDADLP O=S1(=O)NC(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)=Nc2ccccc21 ZINC000420333845 280352227 /nfs/dbraw/zinc/35/22/27/280352227.db2.gz TUMRSAFYDOUXRY-ZIAGYGMSSA-N 2 2 348.472 1.330 20 0 EDADLP O=S1(=O)NC(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)=Nc2ccccc21 ZINC000420333845 280352230 /nfs/dbraw/zinc/35/22/30/280352230.db2.gz TUMRSAFYDOUXRY-ZIAGYGMSSA-N 2 2 348.472 1.330 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000287681315 288293898 /nfs/dbraw/zinc/29/38/98/288293898.db2.gz SEJQXTXAHHSNMG-SMDDNHRTSA-N 2 2 328.407 1.817 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369372573 288309435 /nfs/dbraw/zinc/30/94/35/288309435.db2.gz KBVUWCAHADJQTL-RYRKJORJSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369372573 288309437 /nfs/dbraw/zinc/30/94/37/288309437.db2.gz KBVUWCAHADJQTL-RYRKJORJSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372573 288309441 /nfs/dbraw/zinc/30/94/41/288309441.db2.gz KBVUWCAHADJQTL-RYRKJORJSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372573 288309443 /nfs/dbraw/zinc/30/94/43/288309443.db2.gz KBVUWCAHADJQTL-RYRKJORJSA-N 3 2 349.523 1.033 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000290216754 288859395 /nfs/dbraw/zinc/85/93/95/288859395.db2.gz QMMBDTYMDXWBFN-WBVHZDCISA-N 2 2 332.448 1.169 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(C3=[NH+]C[C@@H](C)S3)CC1)C2 ZINC000290965960 288981813 /nfs/dbraw/zinc/98/18/13/288981813.db2.gz YMBWTZATAIHCAF-TZMCWYRMSA-N 2 2 347.488 1.389 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000291233672 289022924 /nfs/dbraw/zinc/02/29/24/289022924.db2.gz QASNJTOZWNAHOZ-UHFFFAOYSA-N 2 2 333.432 1.293 20 0 EDADLP CCOC(=O)c1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)[nH]c1C ZINC000291491446 289083436 /nfs/dbraw/zinc/08/34/36/289083436.db2.gz SUOPOVXFLKKBPY-UHFFFAOYSA-N 2 2 348.491 1.713 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292161049 289277674 /nfs/dbraw/zinc/27/76/74/289277674.db2.gz OLMGEHWXXGMRCB-BEFAXECRSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292161049 289277676 /nfs/dbraw/zinc/27/76/76/289277676.db2.gz OLMGEHWXXGMRCB-BEFAXECRSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292161049 289277681 /nfs/dbraw/zinc/27/76/81/289277681.db2.gz OLMGEHWXXGMRCB-BEFAXECRSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292161049 289277684 /nfs/dbraw/zinc/27/76/84/289277684.db2.gz OLMGEHWXXGMRCB-BEFAXECRSA-N 2 2 331.460 1.728 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1c(F)cccc1F ZINC000133862160 289278729 /nfs/dbraw/zinc/27/87/29/289278729.db2.gz BFBLKCFDZJZJCN-RISCZKNCSA-N 2 2 343.443 1.779 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000292497800 289364060 /nfs/dbraw/zinc/36/40/60/289364060.db2.gz QXMCVLKFZDMXNE-UHFFFAOYSA-N 2 2 343.431 1.549 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3c2ncn3C2CC2)CC1 ZINC000292808226 289442628 /nfs/dbraw/zinc/44/26/28/289442628.db2.gz RTVCMUXWKHSKMM-UHFFFAOYSA-N 2 2 329.452 1.599 20 0 EDADLP COC[C@H](C)CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355039019 293004213 /nfs/dbraw/zinc/00/42/13/293004213.db2.gz MKRBHVINFGFOQZ-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP COC[C@H](C)CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355039019 293004216 /nfs/dbraw/zinc/00/42/16/293004216.db2.gz MKRBHVINFGFOQZ-CABCVRRESA-N 2 2 326.485 1.079 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C2CC([NH3+])C2)cc1OC ZINC000420332814 295221881 /nfs/dbraw/zinc/22/18/81/295221881.db2.gz NIDNKBJTIPDZHG-GPANFISMSA-N 2 2 347.459 1.789 20 0 EDADLP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)C2CC([NH3+])C2)cc1OC ZINC000420332814 295221884 /nfs/dbraw/zinc/22/18/84/295221884.db2.gz NIDNKBJTIPDZHG-GPANFISMSA-N 2 2 347.459 1.789 20 0 EDADLP O=C(C1CC[NH+](C2CC2)CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000192579759 295447327 /nfs/dbraw/zinc/44/73/27/295447327.db2.gz QSJZWIMRFIWZAI-GOSISDBHSA-N 2 2 335.492 1.574 20 0 EDADLP O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000269231729 295537563 /nfs/dbraw/zinc/53/75/63/295537563.db2.gz DAINUJSJIIGWMM-CQSZACIVSA-N 2 2 330.388 1.279 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCCS3)CC2)CC1 ZINC000422021470 447312781 /nfs/dbraw/zinc/31/27/81/447312781.db2.gz NPHSKTXGUFURAR-INIZCTEOSA-N 2 2 325.522 1.901 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCCS3)CC2)CC1 ZINC000422021470 447312786 /nfs/dbraw/zinc/31/27/86/447312786.db2.gz NPHSKTXGUFURAR-INIZCTEOSA-N 2 2 325.522 1.901 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420020158 304727492 /nfs/dbraw/zinc/72/74/92/304727492.db2.gz RYLYIJZTNQVRMR-UONOGXRCSA-N 2 2 335.452 1.056 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000417812028 301794377 /nfs/dbraw/zinc/79/43/77/301794377.db2.gz DQNXAGKFTZGKCO-JSGCOSHPSA-N 2 2 340.493 1.466 20 0 EDADLP Cn1c[nH+]cc1[C@H]1[C@H]([NH2+][C@H]2CCCOCC2)CCC(=O)N1C1CC1 ZINC000329029322 303031750 /nfs/dbraw/zinc/03/17/50/303031750.db2.gz PCORXNHSBPRSDA-JCKWVBRZSA-N 2 2 332.448 1.773 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCN2CCC(O)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000294948249 303156067 /nfs/dbraw/zinc/15/60/67/303156067.db2.gz VSVNXCRUFUFRSU-HKUYNNGSSA-N 2 2 331.504 1.943 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCN2CCC(O)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000294948249 303156069 /nfs/dbraw/zinc/15/60/69/303156069.db2.gz VSVNXCRUFUFRSU-HKUYNNGSSA-N 2 2 331.504 1.943 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295156836 303181825 /nfs/dbraw/zinc/18/18/25/303181825.db2.gz GEDKCUMJSYQGFQ-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295156836 303181827 /nfs/dbraw/zinc/18/18/27/303181827.db2.gz GEDKCUMJSYQGFQ-AWEZNQCLSA-N 2 2 343.431 1.185 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C(N)=O ZINC000295708722 303255910 /nfs/dbraw/zinc/25/59/10/303255910.db2.gz NBLGLIYLUPGEPS-UHFFFAOYSA-N 2 2 346.475 1.094 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C(N)=O ZINC000295708722 303255911 /nfs/dbraw/zinc/25/59/11/303255911.db2.gz NBLGLIYLUPGEPS-UHFFFAOYSA-N 2 2 346.475 1.094 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000268923286 303299636 /nfs/dbraw/zinc/29/96/36/303299636.db2.gz PJSXNEDGBITCRU-CVEARBPZSA-N 2 2 335.423 1.969 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000268923286 303299638 /nfs/dbraw/zinc/29/96/38/303299638.db2.gz PJSXNEDGBITCRU-CVEARBPZSA-N 2 2 335.423 1.969 20 0 EDADLP C[C@@H](O)CNc1cc(NCC2([NH+](C)C)Cc3ccccc3C2)nc[nH+]1 ZINC000298478921 303527584 /nfs/dbraw/zinc/52/75/84/303527584.db2.gz ZUAFBCPELZNPTA-CQSZACIVSA-N 2 2 341.459 1.780 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000298833301 303560759 /nfs/dbraw/zinc/56/07/59/303560759.db2.gz VYFJSXNEBPZAMG-HNNXBMFYSA-N 2 2 347.463 1.408 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C ZINC000302093063 303712110 /nfs/dbraw/zinc/71/21/10/303712110.db2.gz OBGBNYAVYASPAV-ZDUSSCGKSA-N 2 2 337.468 1.975 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(c3cc(N4CCCC4)[nH+]cn3)C2)CC1 ZINC000302880387 303739412 /nfs/dbraw/zinc/73/94/12/303739412.db2.gz HKVDNWWJXMQUOZ-INIZCTEOSA-N 2 2 330.480 1.293 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423018180 304883186 /nfs/dbraw/zinc/88/31/86/304883186.db2.gz YGOYSVYZEDZZMC-VXGBXAGGSA-N 2 2 333.354 1.836 20 0 EDADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000423295809 304891391 /nfs/dbraw/zinc/89/13/91/304891391.db2.gz FTIKZAFNCOYGBR-CZUORRHYSA-N 2 2 325.478 1.819 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3C[C@H](C)CC[NH2+]3)CC2)nc(C(C)C)[nH+]1 ZINC000423312412 304892236 /nfs/dbraw/zinc/89/22/36/304892236.db2.gz RTXZADHZAOXTDU-ZBFHGGJFSA-N 2 2 345.491 1.945 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C[NH2+]CC3CC3)c2)CC1 ZINC000423847298 304912085 /nfs/dbraw/zinc/91/20/85/304912085.db2.gz PXSNCTQBWCDPHA-UHFFFAOYSA-N 2 2 344.459 1.289 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000424991848 304943759 /nfs/dbraw/zinc/94/37/59/304943759.db2.gz PVGOEVVKMRRZPI-UHFFFAOYSA-N 2 2 334.464 1.326 20 0 EDADLP O=C(C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)NCCc1ccccc1 ZINC000425894902 304976383 /nfs/dbraw/zinc/97/63/83/304976383.db2.gz HHQMRWDUKKZTLF-UHFFFAOYSA-N 2 2 342.443 1.590 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000428046165 305005547 /nfs/dbraw/zinc/00/55/47/305005547.db2.gz TZCIIUYSAGJTTL-YSVLISHTSA-N 2 2 349.450 1.865 20 0 EDADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000428046165 305005548 /nfs/dbraw/zinc/00/55/48/305005548.db2.gz TZCIIUYSAGJTTL-YSVLISHTSA-N 2 2 349.450 1.865 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428050820 305005750 /nfs/dbraw/zinc/00/57/50/305005750.db2.gz UBGHJUSQXJPTCX-WMZOPIPTSA-N 2 2 331.460 1.775 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428050820 305005751 /nfs/dbraw/zinc/00/57/51/305005751.db2.gz UBGHJUSQXJPTCX-WMZOPIPTSA-N 2 2 331.460 1.775 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)C2(C[NH+](C)C)CCCCC2)CCO1 ZINC000428070724 305006689 /nfs/dbraw/zinc/00/66/89/305006689.db2.gz NRYJPRLMQXDYHS-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)C2(C[NH+](C)C)CCCCC2)CCO1 ZINC000428070724 305006690 /nfs/dbraw/zinc/00/66/90/305006690.db2.gz NRYJPRLMQXDYHS-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP Cn1cc[nH+]c1CN1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000428233907 305008611 /nfs/dbraw/zinc/00/86/11/305008611.db2.gz VOYONQSCZZCLRT-UHFFFAOYSA-N 2 2 325.460 1.600 20 0 EDADLP Cc1cc(N2CCN(CC[N@@H+]3CCCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000429721082 305035894 /nfs/dbraw/zinc/03/58/94/305035894.db2.gz XAAPTBGALLTFJG-UHFFFAOYSA-N 2 2 347.507 1.753 20 0 EDADLP Cc1cc(N2CCN(CC[N@H+]3CCCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000429721082 305035895 /nfs/dbraw/zinc/03/58/95/305035895.db2.gz XAAPTBGALLTFJG-UHFFFAOYSA-N 2 2 347.507 1.753 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@@H]1CCCOC1 ZINC000429961993 305041537 /nfs/dbraw/zinc/04/15/37/305041537.db2.gz GTMNSPMFLLXBGJ-WMZOPIPTSA-N 2 2 342.443 1.344 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000430576594 305056718 /nfs/dbraw/zinc/05/67/18/305056718.db2.gz SGODAGFMPOVSES-CQSZACIVSA-N 2 2 349.414 1.045 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000430576594 305056719 /nfs/dbraw/zinc/05/67/19/305056719.db2.gz SGODAGFMPOVSES-CQSZACIVSA-N 2 2 349.414 1.045 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430636821 305060556 /nfs/dbraw/zinc/06/05/56/305060556.db2.gz JYYUQHVTOUFEON-RHSMWYFYSA-N 2 2 335.423 1.396 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430636821 305060557 /nfs/dbraw/zinc/06/05/57/305060557.db2.gz JYYUQHVTOUFEON-RHSMWYFYSA-N 2 2 335.423 1.396 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430638146 305060628 /nfs/dbraw/zinc/06/06/28/305060628.db2.gz CGGYHKIZRVNGKV-HZPDHXFCSA-N 2 2 346.475 1.417 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430638146 305060629 /nfs/dbraw/zinc/06/06/29/305060629.db2.gz CGGYHKIZRVNGKV-HZPDHXFCSA-N 2 2 346.475 1.417 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC([NH3+])CC1 ZINC000430650575 305061399 /nfs/dbraw/zinc/06/13/99/305061399.db2.gz KISWSZDDXHYTGK-ZDUSSCGKSA-N 2 2 330.432 1.564 20 0 EDADLP CCC[C@H]([NH3+])C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCCCC1 ZINC000430689885 305062463 /nfs/dbraw/zinc/06/24/63/305062463.db2.gz DZPZLNNSJVTWPV-ZDUSSCGKSA-N 2 2 337.468 1.924 20 0 EDADLP COCC[C@]1(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[NH2+]C1 ZINC000430872129 305066562 /nfs/dbraw/zinc/06/65/62/305066562.db2.gz ZPKDCNQVJQZCHB-IFXJQAMLSA-N 2 2 348.491 1.628 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430933136 305069014 /nfs/dbraw/zinc/06/90/14/305069014.db2.gz HEDLGIHLHYQASJ-BBRMVZONSA-N 2 2 339.867 1.846 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000430933136 305069015 /nfs/dbraw/zinc/06/90/15/305069015.db2.gz HEDLGIHLHYQASJ-BBRMVZONSA-N 2 2 339.867 1.846 20 0 EDADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430950725 305070391 /nfs/dbraw/zinc/07/03/91/305070391.db2.gz RZYAHBIFYPCFQE-LBPRGKRZSA-N 2 2 345.365 1.481 20 0 EDADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430950725 305070392 /nfs/dbraw/zinc/07/03/92/305070392.db2.gz RZYAHBIFYPCFQE-LBPRGKRZSA-N 2 2 345.365 1.481 20 0 EDADLP CCC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000431067972 305074204 /nfs/dbraw/zinc/07/42/04/305074204.db2.gz AOEKCTJDEICLJT-UHFFFAOYSA-N 2 2 333.432 1.860 20 0 EDADLP CCC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000431067972 305074205 /nfs/dbraw/zinc/07/42/05/305074205.db2.gz AOEKCTJDEICLJT-UHFFFAOYSA-N 2 2 333.432 1.860 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433192267 305102668 /nfs/dbraw/zinc/10/26/68/305102668.db2.gz YLHSTWKHZHETES-UHFFFAOYSA-N 2 2 336.528 1.952 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000433192267 305102669 /nfs/dbraw/zinc/10/26/69/305102669.db2.gz YLHSTWKHZHETES-UHFFFAOYSA-N 2 2 336.528 1.952 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433307428 305105559 /nfs/dbraw/zinc/10/55/59/305105559.db2.gz UWDIJSXSNJLGOA-ZDUSSCGKSA-N 2 2 331.420 1.347 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433307428 305105560 /nfs/dbraw/zinc/10/55/60/305105560.db2.gz UWDIJSXSNJLGOA-ZDUSSCGKSA-N 2 2 331.420 1.347 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000434482980 305123521 /nfs/dbraw/zinc/12/35/21/305123521.db2.gz KYKGUZJSQWVWPO-ZBFHGGJFSA-N 2 2 335.452 1.024 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000434482980 305123522 /nfs/dbraw/zinc/12/35/22/305123522.db2.gz KYKGUZJSQWVWPO-ZBFHGGJFSA-N 2 2 335.452 1.024 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC000434493226 305123565 /nfs/dbraw/zinc/12/35/65/305123565.db2.gz SNAXCNCCTUIXEK-HNNXBMFYSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC000434493226 305123566 /nfs/dbraw/zinc/12/35/66/305123566.db2.gz SNAXCNCCTUIXEK-HNNXBMFYSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000434493226 305123567 /nfs/dbraw/zinc/12/35/67/305123567.db2.gz SNAXCNCCTUIXEK-HNNXBMFYSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000434493226 305123568 /nfs/dbraw/zinc/12/35/68/305123568.db2.gz SNAXCNCCTUIXEK-HNNXBMFYSA-N 2 2 336.505 1.828 20 0 EDADLP CCn1nccc1CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435434181 305140437 /nfs/dbraw/zinc/14/04/37/305140437.db2.gz RGMQVEHHIVKCHS-INIZCTEOSA-N 2 2 328.464 1.781 20 0 EDADLP Cc1cnc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435435299 305140508 /nfs/dbraw/zinc/14/05/08/305140508.db2.gz XWOMBEYVLXLCBS-MRXNPFEDSA-N 2 2 326.448 1.663 20 0 EDADLP CC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435614367 305143319 /nfs/dbraw/zinc/14/33/19/305143319.db2.gz MLBZIQRIIPCLEF-QGZVFWFLSA-N 2 2 346.475 1.791 20 0 EDADLP CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435614367 305143320 /nfs/dbraw/zinc/14/33/20/305143320.db2.gz MLBZIQRIIPCLEF-QGZVFWFLSA-N 2 2 346.475 1.791 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)N(C)C1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692827 305145518 /nfs/dbraw/zinc/14/55/18/305145518.db2.gz KLOMXNKQCBEKII-INIZCTEOSA-N 2 2 345.491 1.468 20 0 EDADLP C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000438716768 305188407 /nfs/dbraw/zinc/18/84/07/305188407.db2.gz RXKPDJGMBCZNHN-QGZVFWFLSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCO1 ZINC000439473175 305198157 /nfs/dbraw/zinc/19/81/57/305198157.db2.gz VNNXTPTZBYOELU-MRXNPFEDSA-N 2 2 335.448 1.425 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCO1 ZINC000439473175 305198158 /nfs/dbraw/zinc/19/81/58/305198158.db2.gz VNNXTPTZBYOELU-MRXNPFEDSA-N 2 2 335.448 1.425 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440857693 305213538 /nfs/dbraw/zinc/21/35/38/305213538.db2.gz GGZUWSUOSUTYCV-QQFBHYJXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440857693 305213539 /nfs/dbraw/zinc/21/35/39/305213539.db2.gz GGZUWSUOSUTYCV-QQFBHYJXSA-N 2 2 326.485 1.127 20 0 EDADLP CC(=O)CCC(C)(C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000440953683 305214676 /nfs/dbraw/zinc/21/46/76/305214676.db2.gz GTMZKNZUJRTEFJ-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP CC(=O)CCC(C)(C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000440953683 305214677 /nfs/dbraw/zinc/21/46/77/305214677.db2.gz GTMZKNZUJRTEFJ-UHFFFAOYSA-N 2 2 325.497 1.866 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2C)C[C@H]1[NH+]1CCOCC1 ZINC000449137717 305307473 /nfs/dbraw/zinc/30/74/73/305307473.db2.gz GLIUDEZGRHYFDF-KBAYOESNSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000449313918 305311064 /nfs/dbraw/zinc/31/10/64/305311064.db2.gz AZJQYUHDKTWCAS-UKRRQHHQSA-N 2 2 331.464 1.413 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000449347604 305312099 /nfs/dbraw/zinc/31/20/99/305312099.db2.gz RNAXISKMMGLRPH-FCEWJHQRSA-N 2 2 331.460 1.143 20 0 EDADLP Cc1cn2cc(NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)ccc2[nH+]1 ZINC000449343653 305312152 /nfs/dbraw/zinc/31/21/52/305312152.db2.gz MBMCADRNHLFEKR-GFCCVEGCSA-N 2 2 325.376 1.239 20 0 EDADLP O[C@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@H](O)C3)cc(C(F)(F)F)c2)C1 ZINC000450609925 305330870 /nfs/dbraw/zinc/33/08/70/305330870.db2.gz FLTBRYWWVIGIMK-HOTGVXAUSA-N 2 2 344.377 1.839 20 0 EDADLP O[C@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@H](O)C3)cc(C(F)(F)F)c2)C1 ZINC000450609925 305330871 /nfs/dbraw/zinc/33/08/71/305330871.db2.gz FLTBRYWWVIGIMK-HOTGVXAUSA-N 2 2 344.377 1.839 20 0 EDADLP CC[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000451153983 305332834 /nfs/dbraw/zinc/33/28/34/305332834.db2.gz IWEGXGYQVGJXQI-WMZOPIPTSA-N 2 2 333.476 1.595 20 0 EDADLP CC[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000451153983 305332835 /nfs/dbraw/zinc/33/28/35/305332835.db2.gz IWEGXGYQVGJXQI-WMZOPIPTSA-N 2 2 333.476 1.595 20 0 EDADLP CS[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000451322178 305338687 /nfs/dbraw/zinc/33/86/87/305338687.db2.gz FDHIJWYGUBOTHH-HNNXBMFYSA-N 2 2 339.530 1.830 20 0 EDADLP CS[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000451322178 305338688 /nfs/dbraw/zinc/33/86/88/305338688.db2.gz FDHIJWYGUBOTHH-HNNXBMFYSA-N 2 2 339.530 1.830 20 0 EDADLP CCO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000452024289 305379472 /nfs/dbraw/zinc/37/94/72/305379472.db2.gz RHXMWYWCQIEBKH-IAGOWNOFSA-N 2 2 346.475 1.668 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCCc1cccc2cccnc21 ZINC000515048292 305713510 /nfs/dbraw/zinc/71/35/10/305713510.db2.gz IKWPBAKVXQSTDF-VCBZYWHSSA-N 2 2 340.471 1.870 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000518540822 305762396 /nfs/dbraw/zinc/76/23/96/305762396.db2.gz ZSVHSJIERHQOEI-RYQLBKOJSA-N 2 2 331.460 1.473 20 0 EDADLP Cc1cnc(CC[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cn1 ZINC000521863736 305793810 /nfs/dbraw/zinc/79/38/10/305793810.db2.gz DRZYXROPNCKATC-KRWDZBQOSA-N 2 2 339.443 1.945 20 0 EDADLP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000528349344 305870203 /nfs/dbraw/zinc/87/02/03/305870203.db2.gz GWPWAKSVOTXLGW-QGZVFWFLSA-N 2 2 337.439 1.089 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000530223667 305934790 /nfs/dbraw/zinc/93/47/90/305934790.db2.gz ONQDZUZNKAFJEN-GOSISDBHSA-N 2 2 346.450 1.846 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000537112873 306026085 /nfs/dbraw/zinc/02/60/85/306026085.db2.gz ONLXWFSTXDEVJG-GJZGRUSLSA-N 2 2 335.452 1.205 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]3CC[N@H+](C)C[C@@H]31)n2C ZINC000538712533 306032850 /nfs/dbraw/zinc/03/28/50/306032850.db2.gz SINCRXNTPVNMST-WFASDCNBSA-N 2 2 342.447 1.201 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@@H]31)n2C ZINC000538712533 306032851 /nfs/dbraw/zinc/03/28/51/306032851.db2.gz SINCRXNTPVNMST-WFASDCNBSA-N 2 2 342.447 1.201 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000542521603 306054665 /nfs/dbraw/zinc/05/46/65/306054665.db2.gz OQQCQEZSGIPFBH-MRXNPFEDSA-N 2 2 339.505 1.653 20 0 EDADLP CCc1nncn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000545264867 306083137 /nfs/dbraw/zinc/08/31/37/306083137.db2.gz HGGXDUCXOBRZER-NVXWUHKLSA-N 2 2 328.464 1.736 20 0 EDADLP CCc1nncn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000545264867 306083138 /nfs/dbraw/zinc/08/31/38/306083138.db2.gz HGGXDUCXOBRZER-NVXWUHKLSA-N 2 2 328.464 1.736 20 0 EDADLP CCN1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000547693723 306108641 /nfs/dbraw/zinc/10/86/41/306108641.db2.gz IRHIFYAYYLDXCR-JKSUJKDBSA-N 2 2 333.480 1.879 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1F ZINC000551941926 306169750 /nfs/dbraw/zinc/16/97/50/306169750.db2.gz RWBPZQMTLYZPFU-OAHLLOKOSA-N 2 2 335.423 1.430 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1F ZINC000551941926 306169751 /nfs/dbraw/zinc/16/97/51/306169751.db2.gz RWBPZQMTLYZPFU-OAHLLOKOSA-N 2 2 335.423 1.430 20 0 EDADLP CCC(CC)[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)[NH+]1CCOCC1 ZINC000552145219 306175920 /nfs/dbraw/zinc/17/59/20/306175920.db2.gz MUTQNANYSPYEBN-RCCFBDPRSA-N 2 2 337.508 1.819 20 0 EDADLP CCC(CC)[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)[NH+]1CCOCC1 ZINC000552145219 306175921 /nfs/dbraw/zinc/17/59/21/306175921.db2.gz MUTQNANYSPYEBN-RCCFBDPRSA-N 2 2 337.508 1.819 20 0 EDADLP CCc1ccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000552160491 306176551 /nfs/dbraw/zinc/17/65/51/306176551.db2.gz PVBNQPFNOFZBJY-MRXNPFEDSA-N 2 2 327.432 1.658 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000555230378 306200522 /nfs/dbraw/zinc/20/05/22/306200522.db2.gz PBGPJWCRGJYSFO-OAHLLOKOSA-N 2 2 348.447 1.207 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)c1ccc2c(c1)OCCO2 ZINC000555880926 306206749 /nfs/dbraw/zinc/20/67/49/306206749.db2.gz ZQFDYEQRCSSNQE-HZPDHXFCSA-N 2 2 338.448 1.438 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)c1ccc2c(c1)OCCO2 ZINC000555880926 306206750 /nfs/dbraw/zinc/20/67/50/306206750.db2.gz ZQFDYEQRCSSNQE-HZPDHXFCSA-N 2 2 338.448 1.438 20 0 EDADLP COC[C@]1(C(=O)OC)CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000449449543 447372983 /nfs/dbraw/zinc/37/29/83/447372983.db2.gz DLASMSFUNJFMNH-HNNXBMFYSA-N 2 2 327.450 1.216 20 0 EDADLP COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000449449543 447372989 /nfs/dbraw/zinc/37/29/89/447372989.db2.gz DLASMSFUNJFMNH-HNNXBMFYSA-N 2 2 327.450 1.216 20 0 EDADLP CN(c1ccccc1C[NH2+]C[C@H]1C[NH2+]CCN1C)C1CC[NH+](C)CC1 ZINC000414971229 447380283 /nfs/dbraw/zinc/38/02/83/447380283.db2.gz ICDFYIYZRRNFNT-LJQANCHMSA-N 3 2 345.535 1.210 20 0 EDADLP CCCc1ncc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000458578646 447420382 /nfs/dbraw/zinc/42/03/82/447420382.db2.gz DPCCWPFOYDJQOS-UHFFFAOYSA-N 2 2 337.468 1.452 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CCO1 ZINC000494412068 447434527 /nfs/dbraw/zinc/43/45/27/447434527.db2.gz KGFYFRRZOQNKRD-YESZJQIVSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CCO1 ZINC000494412068 447434531 /nfs/dbraw/zinc/43/45/31/447434531.db2.gz KGFYFRRZOQNKRD-YESZJQIVSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC000494412068 447434535 /nfs/dbraw/zinc/43/45/35/447434535.db2.gz KGFYFRRZOQNKRD-YESZJQIVSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000494412068 447434542 /nfs/dbraw/zinc/43/45/42/447434542.db2.gz KGFYFRRZOQNKRD-YESZJQIVSA-N 2 2 340.512 1.517 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)c[nH+]1 ZINC000046286159 441098553 /nfs/dbraw/zinc/09/85/53/441098553.db2.gz WZNHDWYOKVZBQX-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@@H]3CCCO3)CC2)c1 ZINC000058013881 441148566 /nfs/dbraw/zinc/14/85/66/441148566.db2.gz CJHPEZIIXMNDIW-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@@H]3CCCO3)CC2)c1 ZINC000058013881 441148569 /nfs/dbraw/zinc/14/85/69/441148569.db2.gz CJHPEZIIXMNDIW-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000081094815 441233702 /nfs/dbraw/zinc/23/37/02/441233702.db2.gz PXRZHJYLAQPYRG-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000081094815 441233704 /nfs/dbraw/zinc/23/37/04/441233704.db2.gz PXRZHJYLAQPYRG-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000081094815 441233705 /nfs/dbraw/zinc/23/37/05/441233705.db2.gz PXRZHJYLAQPYRG-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)[C@H](C)C1 ZINC000081094815 441233707 /nfs/dbraw/zinc/23/37/07/441233707.db2.gz PXRZHJYLAQPYRG-NVXWUHKLSA-N 2 2 346.475 1.675 20 0 EDADLP CNc1nc(N2CCC(C[NH+]3CCOCC3)CC2)[nH+]c2ccccc21 ZINC000450254620 447438633 /nfs/dbraw/zinc/43/86/33/447438633.db2.gz VIJVYOXGCBRTTL-UHFFFAOYSA-N 2 2 341.459 2.220 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000047618064 441209997 /nfs/dbraw/zinc/20/99/97/441209997.db2.gz KRAKHYPYCMWXOK-UHFFFAOYSA-N 2 2 346.475 1.414 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000048869677 441334888 /nfs/dbraw/zinc/33/48/88/441334888.db2.gz CKWSJWGEAVTAIO-AWEZNQCLSA-N 2 2 344.419 1.003 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000062506625 441304032 /nfs/dbraw/zinc/30/40/32/441304032.db2.gz FLBHRYOKUNBONS-INIZCTEOSA-N 2 2 348.491 1.658 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn4ccccc4n3)CC2)CC1 ZINC000050800788 441390757 /nfs/dbraw/zinc/39/07/57/441390757.db2.gz MHRLPHYFZFCLOX-UHFFFAOYSA-N 2 2 341.459 1.623 20 0 EDADLP O=c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccc(Br)cn12 ZINC000107855147 441431659 /nfs/dbraw/zinc/43/16/59/441431659.db2.gz ADAAEUZAIVXBGS-PHIMTYICSA-N 2 2 349.232 1.108 20 0 EDADLP O=c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccc(Br)cn12 ZINC000107855147 441431663 /nfs/dbraw/zinc/43/16/63/441431663.db2.gz ADAAEUZAIVXBGS-PHIMTYICSA-N 2 2 349.232 1.108 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000074473262 441438194 /nfs/dbraw/zinc/43/81/94/441438194.db2.gz NSGZQFYAMOXDAS-CQSZACIVSA-N 2 2 336.484 1.149 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000074473262 441438200 /nfs/dbraw/zinc/43/82/00/441438200.db2.gz NSGZQFYAMOXDAS-CQSZACIVSA-N 2 2 336.484 1.149 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC000052357004 441447790 /nfs/dbraw/zinc/44/77/90/441447790.db2.gz VYKJUNLFKRHCLO-HZPDHXFCSA-N 2 2 342.443 1.809 20 0 EDADLP C[N@H+](CCN1CC[NH+](CC(=O)N2CCCC2)CC1)Cc1ccccc1 ZINC000108919112 441480617 /nfs/dbraw/zinc/48/06/17/441480617.db2.gz VCDJDGBHXIWKTN-UHFFFAOYSA-N 2 2 344.503 1.358 20 0 EDADLP C[N@@H+](CCN1CC[NH+](CC(=O)N2CCCC2)CC1)Cc1ccccc1 ZINC000108919112 441480620 /nfs/dbraw/zinc/48/06/20/441480620.db2.gz VCDJDGBHXIWKTN-UHFFFAOYSA-N 2 2 344.503 1.358 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052501820 441455759 /nfs/dbraw/zinc/45/57/59/441455759.db2.gz WKJMRVIZLRKCHL-SFHVURJKSA-N 2 2 346.475 1.412 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000052501820 441455761 /nfs/dbraw/zinc/45/57/61/441455761.db2.gz WKJMRVIZLRKCHL-SFHVURJKSA-N 2 2 346.475 1.412 20 0 EDADLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000089393805 441545785 /nfs/dbraw/zinc/54/57/85/441545785.db2.gz CVXOFLMXZXHLQE-MRXNPFEDSA-N 2 2 339.443 1.873 20 0 EDADLP Cn1cccc1C(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109790105 441508311 /nfs/dbraw/zinc/50/83/11/441508311.db2.gz NOWDDXMIKBDMSN-UHFFFAOYSA-N 2 2 346.475 1.084 20 0 EDADLP Cn1cc[nH+]c1C[C@H](NC(=O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000075212843 441509492 /nfs/dbraw/zinc/50/94/92/441509492.db2.gz PMUUDSOFAHPMAE-KRWDZBQOSA-N 2 2 341.459 1.068 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000075860382 441559487 /nfs/dbraw/zinc/55/94/87/441559487.db2.gz IUFSSFLVLNRGNX-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP COC(=O)C1CCN(C(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000075860382 441559492 /nfs/dbraw/zinc/55/94/92/441559492.db2.gz IUFSSFLVLNRGNX-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP COC(=O)C1CCN(C(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000075860382 441559495 /nfs/dbraw/zinc/55/94/95/441559495.db2.gz IUFSSFLVLNRGNX-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP COC(=O)C1CCN(C(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000075860382 441559499 /nfs/dbraw/zinc/55/94/99/441559499.db2.gz IUFSSFLVLNRGNX-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000075988928 441575361 /nfs/dbraw/zinc/57/53/61/441575361.db2.gz DMAYTOQEXBQJOX-DLBZAZTESA-N 2 2 333.501 1.987 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000075988928 441575363 /nfs/dbraw/zinc/57/53/63/441575363.db2.gz DMAYTOQEXBQJOX-DLBZAZTESA-N 2 2 333.501 1.987 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCn1cc[nH+]c1 ZINC000054607729 441587543 /nfs/dbraw/zinc/58/75/43/441587543.db2.gz CEBYBZHZTDNMID-UHFFFAOYSA-N 2 2 325.376 1.272 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[NH+](C(C)C)CC3)ccc2n1C ZINC000076253059 441617399 /nfs/dbraw/zinc/61/73/99/441617399.db2.gz SSDDCOPUBDVFRO-UHFFFAOYSA-N 2 2 343.431 1.373 20 0 EDADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000113645844 441621497 /nfs/dbraw/zinc/62/14/97/441621497.db2.gz QADBASAIDPBCEP-AWEZNQCLSA-N 2 2 341.415 1.221 20 0 EDADLP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000114458948 441658810 /nfs/dbraw/zinc/65/88/10/441658810.db2.gz HDEAFPRVHHAZBA-ZWKOTPCHSA-N 2 2 349.475 1.549 20 0 EDADLP CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000114458948 441658814 /nfs/dbraw/zinc/65/88/14/441658814.db2.gz HDEAFPRVHHAZBA-ZWKOTPCHSA-N 2 2 349.475 1.549 20 0 EDADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000121491793 441716942 /nfs/dbraw/zinc/71/69/42/441716942.db2.gz FJLJQMTUHAOQPX-GOSISDBHSA-N 2 2 345.447 1.043 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000137026602 441739878 /nfs/dbraw/zinc/73/98/78/441739878.db2.gz UXVHTVXCJFPXGF-MOEXGYKKSA-N 2 2 332.448 1.630 20 0 EDADLP Cc1cccc(NC2CC[NH+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)[nH+]1 ZINC000077316892 441754329 /nfs/dbraw/zinc/75/43/29/441754329.db2.gz MFVLCGOOJAHEBY-HZPDHXFCSA-N 2 2 346.475 1.902 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000139504908 441819119 /nfs/dbraw/zinc/81/91/19/441819119.db2.gz PXSOEOAFAZEXJX-KRWDZBQOSA-N 2 2 341.459 1.867 20 0 EDADLP CC(C)C[C@H](CNC(=O)c1ccc2[nH+]ccn2c1)[NH+]1CCOCC1 ZINC000068389444 441789293 /nfs/dbraw/zinc/78/92/93/441789293.db2.gz XAVUCIKYCLCFGT-MRXNPFEDSA-N 2 2 330.432 1.811 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000121913916 441810347 /nfs/dbraw/zinc/81/03/47/441810347.db2.gz YCBNHEIFPOQWKU-HNNXBMFYSA-N 2 2 335.452 1.604 20 0 EDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000077799277 441861825 /nfs/dbraw/zinc/86/18/25/441861825.db2.gz COKGUWZBOVJJOL-UHFFFAOYSA-N 3 2 347.507 1.137 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000140336355 441837456 /nfs/dbraw/zinc/83/74/56/441837456.db2.gz JTNIOOOYXHFHNG-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000068742196 441845619 /nfs/dbraw/zinc/84/56/19/441845619.db2.gz BEZHSQLFEVMFGO-MRXNPFEDSA-N 2 2 330.432 1.350 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000068742196 441845623 /nfs/dbraw/zinc/84/56/23/441845623.db2.gz BEZHSQLFEVMFGO-MRXNPFEDSA-N 2 2 330.432 1.350 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000093045579 441853365 /nfs/dbraw/zinc/85/33/65/441853365.db2.gz KYTDGOGMUWHKKV-UHFFFAOYSA-N 2 2 346.475 1.631 20 0 EDADLP CC(C)C[N@@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000077774649 441856921 /nfs/dbraw/zinc/85/69/21/441856921.db2.gz IRKPKXKRWCYUAI-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)C[N@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000077774649 441856924 /nfs/dbraw/zinc/85/69/24/441856924.db2.gz IRKPKXKRWCYUAI-MRXNPFEDSA-N 2 2 326.485 1.080 20 0 EDADLP C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000069369906 441923017 /nfs/dbraw/zinc/92/30/17/441923017.db2.gz IPZNDJKWGBUSHX-QGZVFWFLSA-N 2 2 333.501 1.987 20 0 EDADLP CCOCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000093311546 441875779 /nfs/dbraw/zinc/87/57/79/441875779.db2.gz HYALYRFVYMMHLX-UHFFFAOYSA-N 2 2 325.478 1.361 20 0 EDADLP CCOCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000093311546 441875782 /nfs/dbraw/zinc/87/57/82/441875782.db2.gz HYALYRFVYMMHLX-UHFFFAOYSA-N 2 2 325.478 1.361 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@@H+]1C ZINC000123164204 441877450 /nfs/dbraw/zinc/87/74/50/441877450.db2.gz QJKLISFAGITIED-HOCLYGCPSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(S(=O)(=O)N(C)C)c2)CC[N@H+]1C ZINC000123164204 441877458 /nfs/dbraw/zinc/87/74/58/441877458.db2.gz QJKLISFAGITIED-HOCLYGCPSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(S(=O)(=O)N(C)C)c2)CC[NH+]1C ZINC000123164204 441877464 /nfs/dbraw/zinc/87/74/64/441877464.db2.gz QJKLISFAGITIED-HOCLYGCPSA-N 2 2 339.505 1.851 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(S(=O)(=O)N(C)C)c2)CC[NH+]1C ZINC000123164204 441877469 /nfs/dbraw/zinc/87/74/69/441877469.db2.gz QJKLISFAGITIED-HOCLYGCPSA-N 2 2 339.505 1.851 20 0 EDADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093458257 441886200 /nfs/dbraw/zinc/88/62/00/441886200.db2.gz ANIKARSWNHFSKF-QGZVFWFLSA-N 2 2 336.432 1.391 20 0 EDADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093458257 441886208 /nfs/dbraw/zinc/88/62/08/441886208.db2.gz ANIKARSWNHFSKF-QGZVFWFLSA-N 2 2 336.432 1.391 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4c(F)cccc4C3)cn2)CC1 ZINC000123803615 441900223 /nfs/dbraw/zinc/90/02/23/441900223.db2.gz DLSREKOCBPEXPA-UHFFFAOYSA-N 2 2 341.434 1.926 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4c(F)cccc4C3)cn2)CC1 ZINC000123803615 441900225 /nfs/dbraw/zinc/90/02/25/441900225.db2.gz DLSREKOCBPEXPA-UHFFFAOYSA-N 2 2 341.434 1.926 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000119496808 441937343 /nfs/dbraw/zinc/93/73/43/441937343.db2.gz BLLUHQWRHBWREH-MRXNPFEDSA-N 2 2 339.443 1.866 20 0 EDADLP CC[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000174607318 441944602 /nfs/dbraw/zinc/94/46/02/441944602.db2.gz YVFRGBMXFDAJHK-ZBFHGGJFSA-N 2 2 330.432 1.180 20 0 EDADLP CC[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000174607318 441944605 /nfs/dbraw/zinc/94/46/05/441944605.db2.gz YVFRGBMXFDAJHK-ZBFHGGJFSA-N 2 2 330.432 1.180 20 0 EDADLP C[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000124847183 441958959 /nfs/dbraw/zinc/95/89/59/441958959.db2.gz DUMZGHMAEHOVCG-LJQANCHMSA-N 2 2 347.459 1.304 20 0 EDADLP C[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000124847183 441958962 /nfs/dbraw/zinc/95/89/62/441958962.db2.gz DUMZGHMAEHOVCG-LJQANCHMSA-N 2 2 347.459 1.304 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000079254068 442032193 /nfs/dbraw/zinc/03/21/93/442032193.db2.gz RFSBIQKNRMSYRO-UHFFFAOYSA-N 2 2 328.420 1.768 20 0 EDADLP CCOCC[N@@H+]1CCN(c2cncc(-n3cc[nH+]c3C)n2)C[C@@H]1C ZINC000161935395 442045426 /nfs/dbraw/zinc/04/54/26/442045426.db2.gz LHKWUTAZGALPHP-AWEZNQCLSA-N 2 2 330.436 1.518 20 0 EDADLP CCOCC[N@H+]1CCN(c2cncc(-n3cc[nH+]c3C)n2)C[C@@H]1C ZINC000161935395 442045431 /nfs/dbraw/zinc/04/54/31/442045431.db2.gz LHKWUTAZGALPHP-AWEZNQCLSA-N 2 2 330.436 1.518 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000125782635 442047660 /nfs/dbraw/zinc/04/76/60/442047660.db2.gz KTJZLXTXFPXQGM-CVEARBPZSA-N 2 2 340.512 1.022 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000125782635 442047662 /nfs/dbraw/zinc/04/76/62/442047662.db2.gz KTJZLXTXFPXQGM-CVEARBPZSA-N 2 2 340.512 1.022 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000125782635 442047663 /nfs/dbraw/zinc/04/76/63/442047663.db2.gz KTJZLXTXFPXQGM-CVEARBPZSA-N 2 2 340.512 1.022 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000125782635 442047665 /nfs/dbraw/zinc/04/76/65/442047665.db2.gz KTJZLXTXFPXQGM-CVEARBPZSA-N 2 2 340.512 1.022 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](Cc2ccncc2)CC1 ZINC000079551641 442062077 /nfs/dbraw/zinc/06/20/77/442062077.db2.gz LNWHOXLSSJRBSJ-QZTJIDSGSA-N 2 2 343.475 1.536 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](Cc2ccncc2)CC1 ZINC000079551641 442062080 /nfs/dbraw/zinc/06/20/80/442062080.db2.gz LNWHOXLSSJRBSJ-QZTJIDSGSA-N 2 2 343.475 1.536 20 0 EDADLP C[NH2+]CCN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000120448672 442073966 /nfs/dbraw/zinc/07/39/66/442073966.db2.gz SKHUFKNZKHHGCD-UHFFFAOYSA-N 2 2 348.428 1.174 20 0 EDADLP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162754489 442119508 /nfs/dbraw/zinc/11/95/08/442119508.db2.gz RPUVLWQVQZOZDN-MSOLQXFVSA-N 2 2 349.450 1.406 20 0 EDADLP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162754489 442119510 /nfs/dbraw/zinc/11/95/10/442119510.db2.gz RPUVLWQVQZOZDN-MSOLQXFVSA-N 2 2 349.450 1.406 20 0 EDADLP O=C(COc1cccc(-n2cc[nH+]c2)c1)NC1CC[NH+](C2CC2)CC1 ZINC000151806227 442123171 /nfs/dbraw/zinc/12/31/71/442123171.db2.gz WBAILJWAZDMWJJ-UHFFFAOYSA-N 2 2 340.427 1.994 20 0 EDADLP CCC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000126694355 442135008 /nfs/dbraw/zinc/13/50/08/442135008.db2.gz VVABPGOLJRBUCW-JQHSSLGASA-N 2 2 330.476 1.893 20 0 EDADLP CCC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000126694355 442135013 /nfs/dbraw/zinc/13/50/13/442135013.db2.gz VVABPGOLJRBUCW-JQHSSLGASA-N 2 2 330.476 1.893 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000163909920 442185754 /nfs/dbraw/zinc/18/57/54/442185754.db2.gz XOAQDIJKHVGSJH-SFHVURJKSA-N 2 2 331.464 1.557 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000164602264 442199123 /nfs/dbraw/zinc/19/91/23/442199123.db2.gz DXGVOYKIKBWJOH-DAYGRLMNSA-N 2 2 348.491 1.898 20 0 EDADLP C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152347890 442200503 /nfs/dbraw/zinc/20/05/03/442200503.db2.gz ZPOVPFNRDHEAOM-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP C[N@H+](CC(=O)NCCOc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152347890 442200506 /nfs/dbraw/zinc/20/05/06/442200506.db2.gz ZPOVPFNRDHEAOM-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP C[NH+](CC(=O)NCCOc1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152347890 442200510 /nfs/dbraw/zinc/20/05/10/442200510.db2.gz ZPOVPFNRDHEAOM-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP C[NH+](CC(=O)NCCOc1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152347890 442200513 /nfs/dbraw/zinc/20/05/13/442200513.db2.gz ZPOVPFNRDHEAOM-OAHLLOKOSA-N 2 2 337.439 1.594 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000152369022 442203828 /nfs/dbraw/zinc/20/38/28/442203828.db2.gz JPIOZJVTAKTYBU-RMKNXTFCSA-N 2 2 342.443 1.970 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000152369022 442203831 /nfs/dbraw/zinc/20/38/31/442203831.db2.gz JPIOZJVTAKTYBU-RMKNXTFCSA-N 2 2 342.443 1.970 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)C[C@@H]3CCC[NH2+]3)CCCC2)no1 ZINC000166159046 442214345 /nfs/dbraw/zinc/21/43/45/442214345.db2.gz HGHCGWQSBRFYDG-AWEZNQCLSA-N 2 2 349.479 1.939 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000128246392 442255197 /nfs/dbraw/zinc/25/51/97/442255197.db2.gz APRPGVJQVJOISA-GOSISDBHSA-N 2 2 336.524 1.537 20 0 EDADLP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000128246392 442255199 /nfs/dbraw/zinc/25/51/99/442255199.db2.gz APRPGVJQVJOISA-GOSISDBHSA-N 2 2 336.524 1.537 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000128246392 442255201 /nfs/dbraw/zinc/25/52/01/442255201.db2.gz APRPGVJQVJOISA-GOSISDBHSA-N 2 2 336.524 1.537 20 0 EDADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000128246392 442255202 /nfs/dbraw/zinc/25/52/02/442255202.db2.gz APRPGVJQVJOISA-GOSISDBHSA-N 2 2 336.524 1.537 20 0 EDADLP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000168161729 442224090 /nfs/dbraw/zinc/22/40/90/442224090.db2.gz RJBWFTYEEPCGRG-LSDHHAIUSA-N 2 2 339.505 1.953 20 0 EDADLP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CSC[NH2+]3)CC2)cs1 ZINC000168624206 442224402 /nfs/dbraw/zinc/22/44/02/442224402.db2.gz PCBKIQQHLGPNOQ-CQSZACIVSA-N 2 2 340.518 1.442 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000169271764 442226304 /nfs/dbraw/zinc/22/63/04/442226304.db2.gz IEYVPCDKAYUOIW-GOSISDBHSA-N 2 2 331.460 1.270 20 0 EDADLP C[NH+](C)C1CC[NH+](CCOCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000127952400 442236078 /nfs/dbraw/zinc/23/60/78/442236078.db2.gz LXWVORWVOBWEGQ-UHFFFAOYSA-N 3 2 326.529 1.055 20 0 EDADLP C[NH+](C)C1CCN(CCOCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000127952400 442236079 /nfs/dbraw/zinc/23/60/79/442236079.db2.gz LXWVORWVOBWEGQ-UHFFFAOYSA-N 3 2 326.529 1.055 20 0 EDADLP COc1ccccc1NCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177145254 442304717 /nfs/dbraw/zinc/30/47/17/442304717.db2.gz CRCGLFGVXFGCON-UHFFFAOYSA-N 2 2 334.464 1.249 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171003002 442297356 /nfs/dbraw/zinc/29/73/56/442297356.db2.gz JBHBATAKBBIHGV-KRWDZBQOSA-N 2 2 348.491 1.699 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000171003002 442297357 /nfs/dbraw/zinc/29/73/57/442297357.db2.gz JBHBATAKBBIHGV-KRWDZBQOSA-N 2 2 348.491 1.699 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177122992 442300952 /nfs/dbraw/zinc/30/09/52/442300952.db2.gz DEAZZPLWWYJKGC-UHFFFAOYSA-N 3 2 335.496 1.539 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000129648772 442326522 /nfs/dbraw/zinc/32/65/22/442326522.db2.gz GSXQJOQDGBICLT-GDBMZVCRSA-N 2 2 342.447 1.801 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000129659987 442327523 /nfs/dbraw/zinc/32/75/23/442327523.db2.gz RQHWGXSUFQNDGC-QRVBRYPASA-N 2 2 349.519 1.822 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000129659987 442327526 /nfs/dbraw/zinc/32/75/26/442327526.db2.gz RQHWGXSUFQNDGC-QRVBRYPASA-N 2 2 349.519 1.822 20 0 EDADLP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377317 442334294 /nfs/dbraw/zinc/33/42/94/442334294.db2.gz YYMZXAONROKJFI-MRXNPFEDSA-N 2 2 338.540 1.782 20 0 EDADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377317 442334297 /nfs/dbraw/zinc/33/42/97/442334297.db2.gz YYMZXAONROKJFI-MRXNPFEDSA-N 2 2 338.540 1.782 20 0 EDADLP C[C@H](C(=O)NC1CCCCC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377317 442334299 /nfs/dbraw/zinc/33/42/99/442334299.db2.gz YYMZXAONROKJFI-MRXNPFEDSA-N 2 2 338.540 1.782 20 0 EDADLP C[C@H](C(=O)NC1CCCCC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377317 442334303 /nfs/dbraw/zinc/33/43/03/442334303.db2.gz YYMZXAONROKJFI-MRXNPFEDSA-N 2 2 338.540 1.782 20 0 EDADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000130287733 442342944 /nfs/dbraw/zinc/34/29/44/442342944.db2.gz RFZJMCPCDZULAA-CQSZACIVSA-N 2 2 325.840 1.600 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(F)cc4c3OCOC4)C2)CC1 ZINC000171528212 442354590 /nfs/dbraw/zinc/35/45/90/442354590.db2.gz WQVFYXMQOGYZFX-SFHVURJKSA-N 2 2 349.450 1.904 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)cc4c3OCOC4)C2)CC1 ZINC000171528212 442354593 /nfs/dbraw/zinc/35/45/93/442354593.db2.gz WQVFYXMQOGYZFX-SFHVURJKSA-N 2 2 349.450 1.904 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000130420211 442346301 /nfs/dbraw/zinc/34/63/01/442346301.db2.gz PDMBAVRNFJDZHH-FUHWJXTLSA-N 2 2 331.460 1.484 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171094015 442310345 /nfs/dbraw/zinc/31/03/45/442310345.db2.gz UGJJEEYTFPGHLA-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171094015 442310347 /nfs/dbraw/zinc/31/03/47/442310347.db2.gz UGJJEEYTFPGHLA-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171094015 442310349 /nfs/dbraw/zinc/31/03/49/442310349.db2.gz UGJJEEYTFPGHLA-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171094015 442310351 /nfs/dbraw/zinc/31/03/51/442310351.db2.gz UGJJEEYTFPGHLA-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CNC(=O)CCC[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000154721930 442353528 /nfs/dbraw/zinc/35/35/28/442353528.db2.gz VEKOCEMOPNYNIK-HNNXBMFYSA-N 2 2 332.448 1.472 20 0 EDADLP CNC(=O)CCC[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000154721930 442353530 /nfs/dbraw/zinc/35/35/30/442353530.db2.gz VEKOCEMOPNYNIK-HNNXBMFYSA-N 2 2 332.448 1.472 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000171133469 442317417 /nfs/dbraw/zinc/31/74/17/442317417.db2.gz BDSMECWBYAQJHX-AWEZNQCLSA-N 2 2 329.448 1.097 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)c(C)[nH+]1 ZINC000154928584 442364882 /nfs/dbraw/zinc/36/48/82/442364882.db2.gz FCZMAMRYTALDQV-UHFFFAOYSA-N 2 2 332.448 1.827 20 0 EDADLP COCC1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000171832277 442383587 /nfs/dbraw/zinc/38/35/87/442383587.db2.gz HATCTYRBKQCGIY-MRXNPFEDSA-N 2 2 346.475 1.477 20 0 EDADLP COc1cccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000171829490 442383861 /nfs/dbraw/zinc/38/38/61/442383861.db2.gz XDJBQFYLEOUKRP-UHFFFAOYSA-N 2 2 346.475 1.466 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCCn1cc[nH+]c1)C2 ZINC000171864911 442386401 /nfs/dbraw/zinc/38/64/01/442386401.db2.gz GUIBFUILHROSFQ-UHFFFAOYSA-N 2 2 330.436 1.898 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171907130 442389290 /nfs/dbraw/zinc/38/92/90/442389290.db2.gz ORWSBXQILHOIHC-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171907130 442389291 /nfs/dbraw/zinc/38/92/91/442389291.db2.gz ORWSBXQILHOIHC-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171907130 442389293 /nfs/dbraw/zinc/38/92/93/442389293.db2.gz ORWSBXQILHOIHC-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171907130 442389295 /nfs/dbraw/zinc/38/92/95/442389295.db2.gz ORWSBXQILHOIHC-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NCCC[NH+]3CCCCC3)nc[nH+]2)C1 ZINC000171542869 442355620 /nfs/dbraw/zinc/35/56/20/442355620.db2.gz IHFJODGRFITKQC-MRXNPFEDSA-N 2 2 333.480 1.973 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NCCC[NH+]3CCCCC3)[nH+]cn2)C1 ZINC000171542869 442355622 /nfs/dbraw/zinc/35/56/22/442355622.db2.gz IHFJODGRFITKQC-MRXNPFEDSA-N 2 2 333.480 1.973 20 0 EDADLP CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000154808025 442357484 /nfs/dbraw/zinc/35/74/84/442357484.db2.gz KEUYVLZLAXRDHL-UHFFFAOYSA-N 2 2 342.399 1.832 20 0 EDADLP C[C@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCSCC1 ZINC000130849957 442358371 /nfs/dbraw/zinc/35/83/71/442358371.db2.gz VOPCGKVJQVSHDK-RBSFLKMASA-N 2 2 329.510 1.039 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000171613909 442362508 /nfs/dbraw/zinc/36/25/08/442362508.db2.gz QGEHCYNTOWKASF-UHFFFAOYSA-N 2 2 347.463 1.059 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCOC ZINC000131036816 442362901 /nfs/dbraw/zinc/36/29/01/442362901.db2.gz CSGXSJUWGRNWFO-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCOC ZINC000131036816 442362906 /nfs/dbraw/zinc/36/29/06/442362906.db2.gz CSGXSJUWGRNWFO-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP O=C([C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1)N1CCOCC1 ZINC000179659713 442486119 /nfs/dbraw/zinc/48/61/19/442486119.db2.gz JOJXSMBUAUIYBF-HNNXBMFYSA-N 2 2 328.416 1.405 20 0 EDADLP O=C([C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1)N1CCOCC1 ZINC000179659713 442486125 /nfs/dbraw/zinc/48/61/25/442486125.db2.gz JOJXSMBUAUIYBF-HNNXBMFYSA-N 2 2 328.416 1.405 20 0 EDADLP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000179719093 442494755 /nfs/dbraw/zinc/49/47/55/442494755.db2.gz FZTJOJQGAKWYLI-CQSZACIVSA-N 2 2 336.461 1.628 20 0 EDADLP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000179719093 442494757 /nfs/dbraw/zinc/49/47/57/442494757.db2.gz FZTJOJQGAKWYLI-CQSZACIVSA-N 2 2 336.461 1.628 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nccs3)CC2)CC1 ZINC000135065016 442551265 /nfs/dbraw/zinc/55/12/65/442551265.db2.gz VMLZHFHQAVUEJR-UHFFFAOYSA-N 2 2 336.505 1.909 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000192125423 442599014 /nfs/dbraw/zinc/59/90/14/442599014.db2.gz AVFRJYBBWQZTOL-RDJZCZTQSA-N 2 2 339.386 1.158 20 0 EDADLP CCC(CC)[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCOCC1 ZINC000173091295 442602213 /nfs/dbraw/zinc/60/22/13/442602213.db2.gz HZUWVCMKEBLDKM-QGZVFWFLSA-N 2 2 348.491 1.901 20 0 EDADLP C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000136097452 442650024 /nfs/dbraw/zinc/65/00/24/442650024.db2.gz NPMMCRLKQZCZNI-UAGQMJEPSA-N 2 2 342.447 1.695 20 0 EDADLP C[C@H]1CC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000136097452 442650028 /nfs/dbraw/zinc/65/00/28/442650028.db2.gz NPMMCRLKQZCZNI-UAGQMJEPSA-N 2 2 342.447 1.695 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000187396235 442673984 /nfs/dbraw/zinc/67/39/84/442673984.db2.gz SPDLGIJYVLHYDJ-CQSZACIVSA-N 2 2 349.479 1.134 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000187396235 442673986 /nfs/dbraw/zinc/67/39/86/442673986.db2.gz SPDLGIJYVLHYDJ-CQSZACIVSA-N 2 2 349.479 1.134 20 0 EDADLP CCC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccn1 ZINC000181029523 442676365 /nfs/dbraw/zinc/67/63/65/442676365.db2.gz AISRHHHBPHSVOZ-AEFFLSMTSA-N 2 2 346.475 1.446 20 0 EDADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000181037123 442676814 /nfs/dbraw/zinc/67/68/14/442676814.db2.gz VWGJDEDKIWZQDQ-CABCVRRESA-N 2 2 335.448 1.426 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](C)c1ccccc1 ZINC000181043196 442677174 /nfs/dbraw/zinc/67/71/74/442677174.db2.gz LIZKNZOOPLZEIG-ZIFCJYIRSA-N 2 2 345.487 1.701 20 0 EDADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181043307 442677422 /nfs/dbraw/zinc/67/74/22/442677422.db2.gz BAIKQFWOFUKTQJ-HKUYNNGSSA-N 2 2 345.487 1.449 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)CC1 ZINC000192770181 442684817 /nfs/dbraw/zinc/68/48/17/442684817.db2.gz XKFXFQDORYKKDC-IBGZPJMESA-N 2 2 344.503 1.576 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCNC(=O)[C@H]2c2ccccc2)CC1 ZINC000192770193 442684880 /nfs/dbraw/zinc/68/48/80/442684880.db2.gz XKFXFQDORYKKDC-LJQANCHMSA-N 2 2 344.503 1.576 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000267913844 442785779 /nfs/dbraw/zinc/78/57/79/442785779.db2.gz BOKPCRPBWRNONO-NVXWUHKLSA-N 2 2 343.471 1.874 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000267913844 442785782 /nfs/dbraw/zinc/78/57/82/442785782.db2.gz BOKPCRPBWRNONO-NVXWUHKLSA-N 2 2 343.471 1.874 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193657252 442764898 /nfs/dbraw/zinc/76/48/98/442764898.db2.gz BCJDIEDYCUMQRY-SOUVJXGZSA-N 2 2 347.459 1.374 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193657252 442764900 /nfs/dbraw/zinc/76/49/00/442764900.db2.gz BCJDIEDYCUMQRY-SOUVJXGZSA-N 2 2 347.459 1.374 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193657252 442764903 /nfs/dbraw/zinc/76/49/03/442764903.db2.gz BCJDIEDYCUMQRY-SOUVJXGZSA-N 2 2 347.459 1.374 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193657252 442764905 /nfs/dbraw/zinc/76/49/05/442764905.db2.gz BCJDIEDYCUMQRY-SOUVJXGZSA-N 2 2 347.459 1.374 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000193699004 442768701 /nfs/dbraw/zinc/76/87/01/442768701.db2.gz MTCWZIMJCCIMGV-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246387383 442777642 /nfs/dbraw/zinc/77/76/42/442777642.db2.gz IUBWFTPZGPVKES-HZMVEIRTSA-N 2 2 340.512 1.467 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246387383 442777645 /nfs/dbraw/zinc/77/76/45/442777645.db2.gz IUBWFTPZGPVKES-HZMVEIRTSA-N 2 2 340.512 1.467 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188788797 442813372 /nfs/dbraw/zinc/81/33/72/442813372.db2.gz YHYTZZJKDWPSPP-CQSZACIVSA-N 2 2 330.432 1.124 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188788797 442813373 /nfs/dbraw/zinc/81/33/73/442813373.db2.gz YHYTZZJKDWPSPP-CQSZACIVSA-N 2 2 330.432 1.124 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2C)C1 ZINC000265608069 442844044 /nfs/dbraw/zinc/84/40/44/442844044.db2.gz YYXQJAJGQKYLJV-OAHLLOKOSA-N 2 2 330.436 1.997 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H](O)C2CCCCC2)CC1 ZINC000179307690 318455914 /nfs/dbraw/zinc/45/59/14/318455914.db2.gz BZFSCFVWWVCKST-QGZVFWFLSA-N 2 2 340.512 1.253 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccncc2)[C@@H](C)C1 ZINC000248933823 442938621 /nfs/dbraw/zinc/93/86/21/442938621.db2.gz BRFCKKKJVARTHL-DOTOQJQBSA-N 2 2 334.464 1.747 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccncc2)[C@@H](C)C1 ZINC000248933823 442938626 /nfs/dbraw/zinc/93/86/26/442938626.db2.gz BRFCKKKJVARTHL-DOTOQJQBSA-N 2 2 334.464 1.747 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000268424418 442984570 /nfs/dbraw/zinc/98/45/70/442984570.db2.gz XDTFOTZWUKLMFW-DZGCQCFKSA-N 2 2 328.420 1.359 20 0 EDADLP O=C1C[C@@H]([NH2+]C/C=C\c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000254975968 443079310 /nfs/dbraw/zinc/07/93/10/443079310.db2.gz UUXQDAAIOKOTGU-NCRRVARUSA-N 2 2 329.444 1.223 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C\c2ccc(Cl)nc2)CC1 ZINC000255062071 443083590 /nfs/dbraw/zinc/08/35/90/443083590.db2.gz FHYUHBVGNNIFQC-XQRVVYSFSA-N 2 2 336.867 1.890 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCOCC1 ZINC000236631911 443141745 /nfs/dbraw/zinc/14/17/45/443141745.db2.gz CQDCMWOCOPDYHG-RTBURBONSA-N 2 2 345.487 1.564 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2OC)C1 ZINC000268906632 443143290 /nfs/dbraw/zinc/14/32/90/443143290.db2.gz LZZKRVKDRXYOQW-HUUCEWRRSA-N 2 2 335.448 1.723 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2OC)C1 ZINC000268906632 443143295 /nfs/dbraw/zinc/14/32/95/443143295.db2.gz LZZKRVKDRXYOQW-HUUCEWRRSA-N 2 2 335.448 1.723 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770349 443103525 /nfs/dbraw/zinc/10/35/25/443103525.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770349 443103528 /nfs/dbraw/zinc/10/35/28/443103528.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268770349 443103532 /nfs/dbraw/zinc/10/35/32/443103532.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268770349 443103534 /nfs/dbraw/zinc/10/35/34/443103534.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 3 2 331.504 1.724 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268780937 443107094 /nfs/dbraw/zinc/10/70/94/443107094.db2.gz PRDNRAQIKQCSSE-RRQGHBQHSA-N 2 2 337.489 1.872 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268780937 443107096 /nfs/dbraw/zinc/10/70/96/443107096.db2.gz PRDNRAQIKQCSSE-RRQGHBQHSA-N 2 2 337.489 1.872 20 0 EDADLP O=C(C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000298740493 318845967 /nfs/dbraw/zinc/84/59/67/318845967.db2.gz PILXEBWUKUOVLG-HNNXBMFYSA-N 2 2 345.447 1.018 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cnn(Cc2ccccc2)c1 ZINC000268928358 443149604 /nfs/dbraw/zinc/14/96/04/443149604.db2.gz QFHKJWCEODQFGI-APWZRJJASA-N 2 2 327.476 1.828 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cnn(Cc2ccccc2)c1 ZINC000268928358 443149606 /nfs/dbraw/zinc/14/96/06/443149606.db2.gz QFHKJWCEODQFGI-APWZRJJASA-N 2 2 327.476 1.828 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269211870 443234477 /nfs/dbraw/zinc/23/44/77/443234477.db2.gz BEDRRQNPRYUBGV-HZPDHXFCSA-N 2 2 347.463 1.171 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000185460154 443202680 /nfs/dbraw/zinc/20/26/80/443202680.db2.gz VXFLFWREJWCAHZ-NVXWUHKLSA-N 2 2 339.505 1.120 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NCc3cn(C(C)(C)C)nn3)CC2)CC1 ZINC000190911823 443208977 /nfs/dbraw/zinc/20/89/77/443208977.db2.gz HLVIJWMPGGJCRJ-UHFFFAOYSA-N 2 2 334.512 1.681 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC3(CCCC3)OC(C)(C)C2)CC1 ZINC000190971914 443217227 /nfs/dbraw/zinc/21/72/27/443217227.db2.gz YPGHGXJMYLNGPZ-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC3(CCCC3)OC(C)(C)C2)CC1 ZINC000190971914 443217229 /nfs/dbraw/zinc/21/72/29/443217229.db2.gz YPGHGXJMYLNGPZ-MRXNPFEDSA-N 2 2 337.508 1.963 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000382735664 319125215 /nfs/dbraw/zinc/12/52/15/319125215.db2.gz KAWRRDYYAWIFJZ-QXAKKESOSA-N 2 2 336.476 1.653 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000382735664 319125216 /nfs/dbraw/zinc/12/52/16/319125216.db2.gz KAWRRDYYAWIFJZ-QXAKKESOSA-N 2 2 336.476 1.653 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266810754 443251577 /nfs/dbraw/zinc/25/15/77/443251577.db2.gz FWLONAOFIAKTCD-AEFFLSMTSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266810754 443251581 /nfs/dbraw/zinc/25/15/81/443251581.db2.gz FWLONAOFIAKTCD-AEFFLSMTSA-N 2 2 333.476 1.422 20 0 EDADLP CO[C@](C)([C@@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000411972261 319217182 /nfs/dbraw/zinc/21/71/82/319217182.db2.gz PUTPKBXKBVLOKW-DNVCBOLYSA-N 2 2 349.475 1.717 20 0 EDADLP CNc1ccccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000412225802 319227128 /nfs/dbraw/zinc/22/71/28/319227128.db2.gz HKFDOQMYQFJAFT-OAHLLOKOSA-N 2 2 330.476 1.969 20 0 EDADLP CNc1ccccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000412225802 319227129 /nfs/dbraw/zinc/22/71/29/319227129.db2.gz HKFDOQMYQFJAFT-OAHLLOKOSA-N 2 2 330.476 1.969 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000414469609 319328632 /nfs/dbraw/zinc/32/86/32/319328632.db2.gz JOLOFDNBUFRATQ-UHFFFAOYSA-N 2 2 337.489 1.823 20 0 EDADLP O=C1C[C@H]([NH2+]Cc2cccc3cc[nH]c32)CN1CC[NH+]1CCOCC1 ZINC000269366571 443294955 /nfs/dbraw/zinc/29/49/55/443294955.db2.gz RAVIJBLPGZMACL-KRWDZBQOSA-N 2 2 342.443 1.191 20 0 EDADLP CCC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185857072 443270451 /nfs/dbraw/zinc/27/04/51/443270451.db2.gz GDZQLRRPNGJPJF-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP CCC[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000185857072 443270454 /nfs/dbraw/zinc/27/04/54/443270454.db2.gz GDZQLRRPNGJPJF-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000266953778 443301732 /nfs/dbraw/zinc/30/17/32/443301732.db2.gz XXLGPEWFGXZGDN-ULQDDVLXSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000266953778 443301735 /nfs/dbraw/zinc/30/17/35/443301735.db2.gz XXLGPEWFGXZGDN-ULQDDVLXSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000266953778 443301737 /nfs/dbraw/zinc/30/17/37/443301737.db2.gz XXLGPEWFGXZGDN-ULQDDVLXSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000266953778 443301740 /nfs/dbraw/zinc/30/17/40/443301740.db2.gz XXLGPEWFGXZGDN-ULQDDVLXSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H]1C[N@@H+]([C@@H](CNC(=O)CCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000267107017 443343616 /nfs/dbraw/zinc/34/36/16/443343616.db2.gz MGLSGNKTSCOBMF-GJZGRUSLSA-N 2 2 348.472 1.913 20 0 EDADLP C[C@H]1C[N@H+]([C@@H](CNC(=O)CCn2cc[nH+]c2)c2cccs2)CCO1 ZINC000267107017 443343620 /nfs/dbraw/zinc/34/36/20/443343620.db2.gz MGLSGNKTSCOBMF-GJZGRUSLSA-N 2 2 348.472 1.913 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416863117 319467921 /nfs/dbraw/zinc/46/79/21/319467921.db2.gz MTTOYWSKOGFVIQ-MAUKXSAKSA-N 2 2 346.475 1.445 20 0 EDADLP COc1ccc([C@@H](NC(=O)NC[C@H]([NH3+])C2CC2)c2[nH+]ccn2C)cc1 ZINC000416907907 319471300 /nfs/dbraw/zinc/47/13/00/319471300.db2.gz NKYBGWYYLNUKAB-JKSUJKDBSA-N 2 2 343.431 1.555 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)[C@H]1C ZINC000416909318 319471551 /nfs/dbraw/zinc/47/15/51/319471551.db2.gz FYVDFGSXYYAJAH-CABCVRRESA-N 2 2 327.432 1.823 20 0 EDADLP C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000272591322 443374581 /nfs/dbraw/zinc/37/45/81/443374581.db2.gz PONMNBAZIPTXPZ-FUHWJXTLSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000272591322 443374586 /nfs/dbraw/zinc/37/45/86/443374586.db2.gz PONMNBAZIPTXPZ-FUHWJXTLSA-N 2 2 331.460 1.034 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ncc(Br)cn2)CC1 ZINC000267242865 443390561 /nfs/dbraw/zinc/39/05/61/443390561.db2.gz XYKRXJNGLPHRAW-UHFFFAOYSA-N 2 2 328.258 1.677 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)cc2n[nH]nc21 ZINC000282716684 443414455 /nfs/dbraw/zinc/41/44/55/443414455.db2.gz LTIWIUPVIFTATJ-UHFFFAOYSA-N 2 2 348.426 1.195 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)cc2n[nH]nc21 ZINC000282716684 443414459 /nfs/dbraw/zinc/41/44/59/443414459.db2.gz LTIWIUPVIFTATJ-UHFFFAOYSA-N 2 2 348.426 1.195 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000282716684 443414464 /nfs/dbraw/zinc/41/44/64/443414464.db2.gz LTIWIUPVIFTATJ-UHFFFAOYSA-N 2 2 348.426 1.195 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000282716684 443414467 /nfs/dbraw/zinc/41/44/67/443414467.db2.gz LTIWIUPVIFTATJ-UHFFFAOYSA-N 2 2 348.426 1.195 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCOCc2ccccc2)CC1 ZINC000267354327 443428818 /nfs/dbraw/zinc/42/88/18/443428818.db2.gz RNKACGVAKZPERH-UHFFFAOYSA-N 2 2 348.491 1.528 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267383173 443438351 /nfs/dbraw/zinc/43/83/51/443438351.db2.gz VLPDNWOKKXOFHM-HNNXBMFYSA-N 2 2 343.431 1.198 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000278984431 443481947 /nfs/dbraw/zinc/48/19/47/443481947.db2.gz DZFAMHBTCQHHHR-SFHVURJKSA-N 2 2 329.444 1.663 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000278984431 443481950 /nfs/dbraw/zinc/48/19/50/443481950.db2.gz DZFAMHBTCQHHHR-SFHVURJKSA-N 2 2 329.444 1.663 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000267521829 443483973 /nfs/dbraw/zinc/48/39/73/443483973.db2.gz JMPCWDGARWXYEF-CYBMUJFWSA-N 2 2 343.431 1.482 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000422584096 319718357 /nfs/dbraw/zinc/71/83/57/319718357.db2.gz DMLJDNXAZMMPBG-UHFFFAOYSA-N 2 2 346.475 1.647 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000422696553 319732186 /nfs/dbraw/zinc/73/21/86/319732186.db2.gz RUIKTRNVIYUOOO-LPHOPBHVSA-N 3 2 333.476 1.375 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423368738 319768180 /nfs/dbraw/zinc/76/81/80/319768180.db2.gz FLOHLAPDQQAVDQ-NQBHXWOUSA-N 2 2 328.254 1.729 20 0 EDADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000423772622 319814550 /nfs/dbraw/zinc/81/45/50/319814550.db2.gz KLQXPTFQUMEXFF-OAHLLOKOSA-N 2 2 327.432 1.111 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000272273552 443575617 /nfs/dbraw/zinc/57/56/17/443575617.db2.gz AKCWPYNMWRAAHF-ZBFHGGJFSA-N 2 2 327.432 1.960 20 0 EDADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000272273552 443575621 /nfs/dbraw/zinc/57/56/21/443575621.db2.gz AKCWPYNMWRAAHF-ZBFHGGJFSA-N 2 2 327.432 1.960 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000265141613 443548148 /nfs/dbraw/zinc/54/81/48/443548148.db2.gz IOVZGBXRBYRBLD-INIZCTEOSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000265141613 443548151 /nfs/dbraw/zinc/54/81/51/443548151.db2.gz IOVZGBXRBYRBLD-INIZCTEOSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1ncnc1C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000283321396 443601494 /nfs/dbraw/zinc/60/14/94/443601494.db2.gz YPGPTMTZRZDFQP-ZDUSSCGKSA-N 2 2 332.477 1.758 20 0 EDADLP Cn1ncnc1C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000283321396 443601497 /nfs/dbraw/zinc/60/14/97/443601497.db2.gz YPGPTMTZRZDFQP-ZDUSSCGKSA-N 2 2 332.477 1.758 20 0 EDADLP Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)o1 ZINC000265346861 443612162 /nfs/dbraw/zinc/61/21/62/443612162.db2.gz JOXMBIUVZPXEKC-INIZCTEOSA-N 2 2 349.475 1.952 20 0 EDADLP Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC(C)(C)[NH+]2CCOCC2)o1 ZINC000265346861 443612165 /nfs/dbraw/zinc/61/21/65/443612165.db2.gz JOXMBIUVZPXEKC-INIZCTEOSA-N 2 2 349.475 1.952 20 0 EDADLP CC(C)n1nccc1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000279981817 443652615 /nfs/dbraw/zinc/65/26/15/443652615.db2.gz QOESUXNHQLUCBY-UHFFFAOYSA-N 2 2 343.479 1.556 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000439962187 320055878 /nfs/dbraw/zinc/05/58/78/320055878.db2.gz PIKXVTRHYWAMMK-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[C@@H]1C ZINC000439962187 320055880 /nfs/dbraw/zinc/05/58/80/320055880.db2.gz PIKXVTRHYWAMMK-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1C ZINC000439962187 320055883 /nfs/dbraw/zinc/05/58/83/320055883.db2.gz PIKXVTRHYWAMMK-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1C ZINC000439962187 320055885 /nfs/dbraw/zinc/05/58/85/320055885.db2.gz PIKXVTRHYWAMMK-WMZOPIPTSA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000440263192 320067015 /nfs/dbraw/zinc/06/70/15/320067015.db2.gz ZOXLZEDRDOVANS-QRQLOZEOSA-N 2 2 349.519 1.963 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000440263192 320067018 /nfs/dbraw/zinc/06/70/18/320067018.db2.gz ZOXLZEDRDOVANS-QRQLOZEOSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@@]([NH3+])(C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000447439342 320142174 /nfs/dbraw/zinc/14/21/74/320142174.db2.gz HUJFFWCEERSMKS-AWEZNQCLSA-N 2 2 326.322 1.936 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000449391792 320187523 /nfs/dbraw/zinc/18/75/23/320187523.db2.gz ZKBBEUZCYMCZCA-NVXWUHKLSA-N 2 2 349.475 1.849 20 0 EDADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)c1 ZINC000449391792 320187526 /nfs/dbraw/zinc/18/75/26/320187526.db2.gz ZKBBEUZCYMCZCA-NVXWUHKLSA-N 2 2 349.475 1.849 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CCC[N@H+]1CCCO ZINC000457781341 320335934 /nfs/dbraw/zinc/33/59/34/320335934.db2.gz UKKCOWYZWPWXOD-OAHLLOKOSA-N 2 2 335.452 1.030 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000457781341 320335935 /nfs/dbraw/zinc/33/59/35/320335935.db2.gz UKKCOWYZWPWXOD-OAHLLOKOSA-N 2 2 335.452 1.030 20 0 EDADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@@H](C)O ZINC000458458189 320336901 /nfs/dbraw/zinc/33/69/01/320336901.db2.gz BRKRPMWEBGIEPZ-HZPDHXFCSA-N 2 2 340.512 1.395 20 0 EDADLP CCO[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000458597639 320337757 /nfs/dbraw/zinc/33/77/57/320337757.db2.gz PIDYXVPXZZTCMF-DOTOQJQBSA-N 2 2 340.512 1.469 20 0 EDADLP C[NH+](C)CCCC(C)(C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000458713472 320339339 /nfs/dbraw/zinc/33/93/39/320339339.db2.gz HYSAKNNJBJHWPP-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000489348247 320359236 /nfs/dbraw/zinc/35/92/36/320359236.db2.gz LYHJUMIRWFONIE-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)CC[N@H+]1C ZINC000489348247 320359237 /nfs/dbraw/zinc/35/92/37/320359237.db2.gz LYHJUMIRWFONIE-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000489348247 320359238 /nfs/dbraw/zinc/35/92/38/320359238.db2.gz LYHJUMIRWFONIE-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH+]1C ZINC000489348247 320359239 /nfs/dbraw/zinc/35/92/39/320359239.db2.gz LYHJUMIRWFONIE-RTBURBONSA-N 2 2 345.487 1.686 20 0 EDADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000490883857 320364178 /nfs/dbraw/zinc/36/41/78/320364178.db2.gz JOCMYJVKUWERTO-LJQANCHMSA-N 2 2 343.475 1.509 20 0 EDADLP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)/C=C\c2[nH]cc[nH+]2)cc1 ZINC000493681568 320397140 /nfs/dbraw/zinc/39/71/40/320397140.db2.gz ZMZRAASJDURCPO-DANTVBBOSA-N 2 2 330.388 1.363 20 0 EDADLP C[C@@H](O)CNc1cc(NC2CC[NH+](Cc3ccccn3)CC2)nc[nH+]1 ZINC000298283820 443737622 /nfs/dbraw/zinc/73/76/22/443737622.db2.gz PWSJXZYCKOIYDA-CQSZACIVSA-N 2 2 342.447 1.741 20 0 EDADLP C[C@@H](O)CNc1cc(NC2CC[NH+](Cc3ccccn3)CC2)[nH+]cn1 ZINC000298283820 443737626 /nfs/dbraw/zinc/73/76/26/443737626.db2.gz PWSJXZYCKOIYDA-CQSZACIVSA-N 2 2 342.447 1.741 20 0 EDADLP CCCCCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000298549024 443797333 /nfs/dbraw/zinc/79/73/33/443797333.db2.gz NXQNJLGTGFWTST-HNNXBMFYSA-N 2 2 334.464 1.907 20 0 EDADLP CCCCCNC(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000298549024 443797336 /nfs/dbraw/zinc/79/73/36/443797336.db2.gz NXQNJLGTGFWTST-HNNXBMFYSA-N 2 2 334.464 1.907 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cscn3)CC2)CC1 ZINC000616381658 450407258 /nfs/dbraw/zinc/40/72/58/450407258.db2.gz WTJUYIUPVHMXAN-UHFFFAOYSA-N 2 2 336.505 1.704 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3cscn3)CC2)CC1 ZINC000616381658 450407263 /nfs/dbraw/zinc/40/72/63/450407263.db2.gz WTJUYIUPVHMXAN-UHFFFAOYSA-N 2 2 336.505 1.704 20 0 EDADLP C[C@@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H](C)[NH+]1CCOCC1 ZINC000528717695 320558681 /nfs/dbraw/zinc/55/86/81/320558681.db2.gz FSYKMYRCLMLFAW-ZIAGYGMSSA-N 2 2 348.447 1.399 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)nc[nH+]1 ZINC000298442951 443770474 /nfs/dbraw/zinc/77/04/74/443770474.db2.gz XRTFJIMAZDNPRQ-GJZGRUSLSA-N 2 2 342.447 1.548 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000285067461 443843696 /nfs/dbraw/zinc/84/36/96/443843696.db2.gz MJJDVFQLVOMCCV-OAHLLOKOSA-N 2 2 327.432 1.797 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000285067461 443843698 /nfs/dbraw/zinc/84/36/98/443843698.db2.gz MJJDVFQLVOMCCV-OAHLLOKOSA-N 2 2 327.432 1.797 20 0 EDADLP Cc1cc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)n(C)n1 ZINC000534863954 320708413 /nfs/dbraw/zinc/70/84/13/320708413.db2.gz ZDEVVCAYSJUTHA-UHFFFAOYSA-N 2 2 328.420 1.639 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCc4ccccc4C3)C2)C1 ZINC000293018999 443904578 /nfs/dbraw/zinc/90/45/78/443904578.db2.gz QOEKHQBEEJUBKH-FQEVSTJZSA-N 2 2 327.472 1.989 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCc4ccccc4C3)C2)C1 ZINC000293018999 443904580 /nfs/dbraw/zinc/90/45/80/443904580.db2.gz QOEKHQBEEJUBKH-FQEVSTJZSA-N 2 2 327.472 1.989 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCc4ccccc4C3)C2)C1 ZINC000293018999 443904584 /nfs/dbraw/zinc/90/45/84/443904584.db2.gz QOEKHQBEEJUBKH-FQEVSTJZSA-N 2 2 327.472 1.989 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCc4ccccc4C3)C2)C1 ZINC000293018999 443904587 /nfs/dbraw/zinc/90/45/87/443904587.db2.gz QOEKHQBEEJUBKH-FQEVSTJZSA-N 2 2 327.472 1.989 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000285246716 443911772 /nfs/dbraw/zinc/91/17/72/443911772.db2.gz YVFOXNPZSDWLMU-OAHLLOKOSA-N 2 2 347.463 1.167 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000285246716 443911775 /nfs/dbraw/zinc/91/17/75/443911775.db2.gz YVFOXNPZSDWLMU-OAHLLOKOSA-N 2 2 347.463 1.167 20 0 EDADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CCCC1 ZINC000285257672 443914733 /nfs/dbraw/zinc/91/47/33/443914733.db2.gz AZTILBIPHYNVNL-UHFFFAOYSA-N 2 2 344.503 1.358 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)N1CCCC1 ZINC000285257672 443914738 /nfs/dbraw/zinc/91/47/38/443914738.db2.gz AZTILBIPHYNVNL-UHFFFAOYSA-N 2 2 344.503 1.358 20 0 EDADLP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285373780 443960478 /nfs/dbraw/zinc/96/04/78/443960478.db2.gz RKJRBQQOMIGYEW-WMZOPIPTSA-N 2 2 330.476 1.455 20 0 EDADLP COCCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285529087 444017626 /nfs/dbraw/zinc/01/76/26/444017626.db2.gz KVBRGQKPOKJVTM-HXUWFJFHSA-N 2 2 345.487 1.737 20 0 EDADLP COCCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285529087 444017630 /nfs/dbraw/zinc/01/76/30/444017630.db2.gz KVBRGQKPOKJVTM-HXUWFJFHSA-N 2 2 345.487 1.737 20 0 EDADLP COCCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285529087 444017635 /nfs/dbraw/zinc/01/76/35/444017635.db2.gz KVBRGQKPOKJVTM-HXUWFJFHSA-N 2 2 345.487 1.737 20 0 EDADLP COCCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285529087 444017639 /nfs/dbraw/zinc/01/76/39/444017639.db2.gz KVBRGQKPOKJVTM-HXUWFJFHSA-N 2 2 345.487 1.737 20 0 EDADLP COc1ccccc1-n1nccc1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000281860578 444025471 /nfs/dbraw/zinc/02/54/71/444025471.db2.gz YYJLUBNDMUHWFY-INIZCTEOSA-N 2 2 344.459 1.939 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCOCC1 ZINC000285555075 444026438 /nfs/dbraw/zinc/02/64/38/444026438.db2.gz MQKHFIQKJYFSRU-HXUWFJFHSA-N 2 2 343.471 1.443 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCOCC1 ZINC000285555075 444026439 /nfs/dbraw/zinc/02/64/39/444026439.db2.gz MQKHFIQKJYFSRU-HXUWFJFHSA-N 2 2 343.471 1.443 20 0 EDADLP O=C(C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCOCC1 ZINC000285555075 444026440 /nfs/dbraw/zinc/02/64/40/444026440.db2.gz MQKHFIQKJYFSRU-HXUWFJFHSA-N 2 2 343.471 1.443 20 0 EDADLP O=C(C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCOCC1 ZINC000285555075 444026441 /nfs/dbraw/zinc/02/64/41/444026441.db2.gz MQKHFIQKJYFSRU-HXUWFJFHSA-N 2 2 343.471 1.443 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000289173057 444069185 /nfs/dbraw/zinc/06/91/85/444069185.db2.gz SRFJMMHLONHOQT-UHFFFAOYSA-N 2 2 332.448 1.971 20 0 EDADLP C[NH2+][C@H](C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000285712924 444081588 /nfs/dbraw/zinc/08/15/88/444081588.db2.gz DLJBEMKUEAHHMC-RDJZCZTQSA-N 2 2 345.447 1.535 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000557384628 321003576 /nfs/dbraw/zinc/00/35/76/321003576.db2.gz AIXBVHVLYFKHKX-LBPRGKRZSA-N 2 2 338.371 1.022 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[N@@H+]1CCC[C@H](C)C1 ZINC000560985703 321030609 /nfs/dbraw/zinc/03/06/09/321030609.db2.gz GFDALNMLHHUEMF-UONOGXRCSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[N@H+]1CCC[C@H](C)C1 ZINC000560985703 321030610 /nfs/dbraw/zinc/03/06/10/321030610.db2.gz GFDALNMLHHUEMF-UONOGXRCSA-N 2 2 343.431 1.509 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000561003591 321030794 /nfs/dbraw/zinc/03/07/94/321030794.db2.gz NHUVTCFTKRWBJP-CYBMUJFWSA-N 2 2 341.415 1.223 20 0 EDADLP CC[NH2+]CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000561145219 321034896 /nfs/dbraw/zinc/03/48/96/321034896.db2.gz BMQOLFPMBCDKEH-AWEZNQCLSA-N 2 2 340.493 1.420 20 0 EDADLP O=C1CCCN1CC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289250912 444087435 /nfs/dbraw/zinc/08/74/35/444087435.db2.gz CICXZPMXVHOBHL-INIZCTEOSA-N 2 2 344.459 1.757 20 0 EDADLP O=C1CCCN1CC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289250912 444087438 /nfs/dbraw/zinc/08/74/38/444087438.db2.gz CICXZPMXVHOBHL-INIZCTEOSA-N 2 2 344.459 1.757 20 0 EDADLP CCC(=O)C1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000562678223 321069302 /nfs/dbraw/zinc/06/93/02/321069302.db2.gz PXPDRDRAJDVISS-UHFFFAOYSA-N 2 2 335.492 1.812 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000562718277 321071805 /nfs/dbraw/zinc/07/18/05/321071805.db2.gz KDLUKQQUFFWMIJ-BQJWPVKWSA-N 2 2 326.481 1.394 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000562718277 321071807 /nfs/dbraw/zinc/07/18/07/321071807.db2.gz KDLUKQQUFFWMIJ-BQJWPVKWSA-N 2 2 326.481 1.394 20 0 EDADLP Cn1cc(-c2cc(F)ccc2NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000562761744 321075098 /nfs/dbraw/zinc/07/50/98/321075098.db2.gz IDALZDVGPOVIAL-CQSZACIVSA-N 2 2 346.410 1.333 20 0 EDADLP Cn1cc(-c2cc(F)ccc2NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000562761744 321075101 /nfs/dbraw/zinc/07/51/01/321075101.db2.gz IDALZDVGPOVIAL-CQSZACIVSA-N 2 2 346.410 1.333 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000562819573 321079071 /nfs/dbraw/zinc/07/90/71/321079071.db2.gz PTSNFBSIVDFNHX-ILXRZTDVSA-N 2 2 334.468 1.315 20 0 EDADLP COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c(Br)c1O ZINC000563136700 321098003 /nfs/dbraw/zinc/09/80/03/321098003.db2.gz MSULTGSCHBRMAD-LLVKDONJSA-N 2 2 344.253 1.238 20 0 EDADLP COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c(Br)c1O ZINC000563136700 321098004 /nfs/dbraw/zinc/09/80/04/321098004.db2.gz MSULTGSCHBRMAD-LLVKDONJSA-N 2 2 344.253 1.238 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)CO[C@H]3CCOC3)c2cc1C ZINC000563952601 321117291 /nfs/dbraw/zinc/11/72/91/321117291.db2.gz MRSLOSRKNGJZFW-BBWFWOEESA-N 2 2 347.459 1.798 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCCc2ccc(F)cc2)C1 ZINC000564737376 321144825 /nfs/dbraw/zinc/14/48/25/321144825.db2.gz YSQJZBKKFRYKOE-HNNXBMFYSA-N 2 2 330.407 1.707 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(F)cc2)C1 ZINC000564737376 321144826 /nfs/dbraw/zinc/14/48/26/321144826.db2.gz YSQJZBKKFRYKOE-HNNXBMFYSA-N 2 2 330.407 1.707 20 0 EDADLP Cn1nccc1N1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000564772418 321146691 /nfs/dbraw/zinc/14/66/91/321146691.db2.gz SSISBQBTVSNRIJ-QGZVFWFLSA-N 2 2 345.491 1.912 20 0 EDADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564852942 321151387 /nfs/dbraw/zinc/15/13/87/321151387.db2.gz VIADDFYMSOMIFF-OAFZBRQQSA-N 2 2 336.476 1.773 20 0 EDADLP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564852942 321151388 /nfs/dbraw/zinc/15/13/88/321151388.db2.gz VIADDFYMSOMIFF-OAFZBRQQSA-N 2 2 336.476 1.773 20 0 EDADLP COc1cccc2c1[nH+]cc(C)c2N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565233930 321177737 /nfs/dbraw/zinc/17/77/37/321177737.db2.gz ZONRLPTYUSFGCP-OCCSQVGLSA-N 2 2 326.400 1.300 20 0 EDADLP CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000565549732 321191681 /nfs/dbraw/zinc/19/16/81/321191681.db2.gz PBOCQZBMMMQGLS-VQHPVUNQSA-N 2 2 328.497 1.451 20 0 EDADLP CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000565549732 321191682 /nfs/dbraw/zinc/19/16/82/321191682.db2.gz PBOCQZBMMMQGLS-VQHPVUNQSA-N 2 2 328.497 1.451 20 0 EDADLP CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000565549732 321191683 /nfs/dbraw/zinc/19/16/83/321191683.db2.gz PBOCQZBMMMQGLS-VQHPVUNQSA-N 2 2 328.497 1.451 20 0 EDADLP CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000565549732 321191684 /nfs/dbraw/zinc/19/16/84/321191684.db2.gz PBOCQZBMMMQGLS-VQHPVUNQSA-N 2 2 328.497 1.451 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282150612 444098267 /nfs/dbraw/zinc/09/82/67/444098267.db2.gz SRCZOOUYRUYNIT-QWHCGFSZSA-N 2 2 333.436 1.243 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282150612 444098269 /nfs/dbraw/zinc/09/82/69/444098269.db2.gz SRCZOOUYRUYNIT-QWHCGFSZSA-N 2 2 333.436 1.243 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566431840 321230567 /nfs/dbraw/zinc/23/05/67/321230567.db2.gz QBXSCFCJFMVHGM-CRAIPNDOSA-N 2 2 342.443 1.606 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566431840 321230568 /nfs/dbraw/zinc/23/05/68/321230568.db2.gz QBXSCFCJFMVHGM-CRAIPNDOSA-N 2 2 342.443 1.606 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000567689154 321252704 /nfs/dbraw/zinc/25/27/04/321252704.db2.gz DEXHNAZHEKJSPE-ZBFHGGJFSA-N 2 2 326.412 1.123 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)C[C@@H](C)O1 ZINC000567873592 321263972 /nfs/dbraw/zinc/26/39/72/321263972.db2.gz ZKOZVQRERQCWMU-ZJXIFLPPSA-N 2 2 348.487 1.212 20 0 EDADLP COCCOC[C@@H](O)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000569072088 321317506 /nfs/dbraw/zinc/31/75/06/321317506.db2.gz YQOWOLICFLCJDP-SFHVURJKSA-N 2 2 336.476 1.437 20 0 EDADLP COCCOC[C@@H](O)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000569072088 321317507 /nfs/dbraw/zinc/31/75/07/321317507.db2.gz YQOWOLICFLCJDP-SFHVURJKSA-N 2 2 336.476 1.437 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000570695163 321354170 /nfs/dbraw/zinc/35/41/70/321354170.db2.gz VPPNLNOTBGMAGX-AWEZNQCLSA-N 2 2 326.444 1.804 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000570695163 321354171 /nfs/dbraw/zinc/35/41/71/321354171.db2.gz VPPNLNOTBGMAGX-AWEZNQCLSA-N 2 2 326.444 1.804 20 0 EDADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000571147979 321375080 /nfs/dbraw/zinc/37/50/80/321375080.db2.gz FZTRPRCWDZYFQA-GJZGRUSLSA-N 2 2 340.855 1.312 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000571267912 321381620 /nfs/dbraw/zinc/38/16/20/321381620.db2.gz WKMSDIWWYMCWCK-JKSUJKDBSA-N 2 2 331.464 1.449 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCC3=O)CC2)CC1 ZINC000571654825 321395215 /nfs/dbraw/zinc/39/52/15/321395215.db2.gz SHPVGKVPZDGDFE-MRXNPFEDSA-N 2 2 335.492 1.668 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC12CCOCC2 ZINC000572283996 321424833 /nfs/dbraw/zinc/42/48/33/321424833.db2.gz MKROPWUCXVYABA-MRXNPFEDSA-N 2 2 340.427 1.700 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000285894856 444144522 /nfs/dbraw/zinc/14/45/22/444144522.db2.gz HFUXNDLJCWMSKK-OWCLPIDISA-N 2 2 349.479 1.139 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000285894856 444144525 /nfs/dbraw/zinc/14/45/25/444144525.db2.gz HFUXNDLJCWMSKK-OWCLPIDISA-N 2 2 349.479 1.139 20 0 EDADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285838020 444125080 /nfs/dbraw/zinc/12/50/80/444125080.db2.gz HMMIBWZPHYUAJR-HKUYNNGSSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285838020 444125082 /nfs/dbraw/zinc/12/50/82/444125082.db2.gz HMMIBWZPHYUAJR-HKUYNNGSSA-N 2 2 344.503 1.355 20 0 EDADLP Cn1cc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000285988553 444170400 /nfs/dbraw/zinc/17/04/00/444170400.db2.gz OIAYEBUCMLBDIP-FQEVSTJZSA-N 2 2 339.487 1.812 20 0 EDADLP Cn1cc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000285988553 444170404 /nfs/dbraw/zinc/17/04/04/444170404.db2.gz OIAYEBUCMLBDIP-FQEVSTJZSA-N 2 2 339.487 1.812 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301534527 444178467 /nfs/dbraw/zinc/17/84/67/444178467.db2.gz LJNQMKAJSPOBSM-MRXNPFEDSA-N 2 2 333.480 1.972 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301534527 444178470 /nfs/dbraw/zinc/17/84/70/444178470.db2.gz LJNQMKAJSPOBSM-MRXNPFEDSA-N 2 2 333.480 1.972 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(CC[N@H+](C)Cc2ccccc2)CCN1C ZINC000295979027 444197572 /nfs/dbraw/zinc/19/75/72/444197572.db2.gz KYTBWPORLZCGMS-GOSISDBHSA-N 2 2 327.476 1.841 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(CC[N@@H+](C)Cc2ccccc2)CCN1C ZINC000295979027 444197574 /nfs/dbraw/zinc/19/75/74/444197574.db2.gz KYTBWPORLZCGMS-GOSISDBHSA-N 2 2 327.476 1.841 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000305103750 444258183 /nfs/dbraw/zinc/25/81/83/444258183.db2.gz CVNKVNVARJCRID-GOSISDBHSA-N 2 2 342.443 1.839 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(-n2cc[nH+]c2)c1 ZINC000305103750 444258184 /nfs/dbraw/zinc/25/81/84/444258184.db2.gz CVNKVNVARJCRID-GOSISDBHSA-N 2 2 342.443 1.839 20 0 EDADLP C[C@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000305219202 444265851 /nfs/dbraw/zinc/26/58/51/444265851.db2.gz KLUYWTRERCWALK-DLBZAZTESA-N 2 2 346.475 1.356 20 0 EDADLP C[C@H](O)C[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000305219202 444265853 /nfs/dbraw/zinc/26/58/53/444265853.db2.gz KLUYWTRERCWALK-DLBZAZTESA-N 2 2 346.475 1.356 20 0 EDADLP Cn1c[nH+]cc1CCC[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000576954594 321610610 /nfs/dbraw/zinc/61/06/10/321610610.db2.gz NECKRXQPMMSRMI-UHFFFAOYSA-N 2 2 325.478 1.644 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000577094949 321622675 /nfs/dbraw/zinc/62/26/75/321622675.db2.gz BIWIABZSKSZMQJ-KRWDZBQOSA-N 2 2 326.444 1.978 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H](O)C(C)(C)C)CC2)CC1 ZINC000304134730 444242658 /nfs/dbraw/zinc/24/26/58/444242658.db2.gz ROSZMJSOJBXLAT-INIZCTEOSA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000305768078 444279496 /nfs/dbraw/zinc/27/94/96/444279496.db2.gz UHBHTORWDAUCAM-DLBZAZTESA-N 2 2 349.475 1.722 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000305768078 444279497 /nfs/dbraw/zinc/27/94/97/444279497.db2.gz UHBHTORWDAUCAM-DLBZAZTESA-N 2 2 349.475 1.722 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297340639 444283617 /nfs/dbraw/zinc/28/36/17/444283617.db2.gz HDSRQKOFGSCKKP-OAHLLOKOSA-N 2 2 345.447 1.023 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000297340639 444283619 /nfs/dbraw/zinc/28/36/19/444283619.db2.gz HDSRQKOFGSCKKP-OAHLLOKOSA-N 2 2 345.447 1.023 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)Nc2ccn3cc[nH+]c3c2)CCCO1 ZINC000290832816 444328219 /nfs/dbraw/zinc/32/82/19/444328219.db2.gz XWNZTSDTGZOYPZ-AWEZNQCLSA-N 2 2 331.420 1.957 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccn3cc[nH+]c3c2)CCCO1 ZINC000290832816 444328222 /nfs/dbraw/zinc/32/82/22/444328222.db2.gz XWNZTSDTGZOYPZ-AWEZNQCLSA-N 2 2 331.420 1.957 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@H](C)C3C[NH2+]C3)c2)CC1 ZINC000578865285 321844414 /nfs/dbraw/zinc/84/44/14/321844414.db2.gz LQSVKQPFBXHLEF-AWEZNQCLSA-N 2 2 344.459 1.145 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C2)C1 ZINC000328715513 444439424 /nfs/dbraw/zinc/43/94/24/444439424.db2.gz SWNIUSILBMRYRL-LPHOPBHVSA-N 2 2 345.491 1.607 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(c3cc(N4CCC[C@H](CO)C4)[nH+]cn3)C2)C1 ZINC000328715513 444439427 /nfs/dbraw/zinc/43/94/27/444439427.db2.gz SWNIUSILBMRYRL-LPHOPBHVSA-N 2 2 345.491 1.607 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)C2)C1 ZINC000328715513 444439429 /nfs/dbraw/zinc/43/94/29/444439429.db2.gz SWNIUSILBMRYRL-LPHOPBHVSA-N 2 2 345.491 1.607 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(c3cc(N4CCC[C@H](CO)C4)nc[nH+]3)C2)C1 ZINC000328715513 444439432 /nfs/dbraw/zinc/43/94/32/444439432.db2.gz SWNIUSILBMRYRL-LPHOPBHVSA-N 2 2 345.491 1.607 20 0 EDADLP Cc1cccn2c(C[NH2+][C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)c[nH+]c12 ZINC000329185654 444494594 /nfs/dbraw/zinc/49/45/94/444494594.db2.gz ANRMXQITTKRXSH-WMLDXEAASA-N 2 2 349.456 1.469 20 0 EDADLP Cc1nc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000329188048 444495220 /nfs/dbraw/zinc/49/52/20/444495220.db2.gz QXZCLCKJWYJKOA-GASCZTMLSA-N 2 2 334.464 1.880 20 0 EDADLP Cc1nc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000329188048 444495224 /nfs/dbraw/zinc/49/52/24/444495224.db2.gz QXZCLCKJWYJKOA-GASCZTMLSA-N 2 2 334.464 1.880 20 0 EDADLP C[NH+](C)CCCCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000580226809 322026139 /nfs/dbraw/zinc/02/61/39/322026139.db2.gz SSKDQWUGWJGYFV-UHFFFAOYSA-N 2 2 333.476 1.942 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ccc3[nH]ccc3c2)C[C@@H](C)O1 ZINC000580305834 322033637 /nfs/dbraw/zinc/03/36/37/322033637.db2.gz WUTIADCHDISGNJ-RKVPGOIHSA-N 2 2 331.460 1.770 20 0 EDADLP CN(CCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000580704151 322084428 /nfs/dbraw/zinc/08/44/28/322084428.db2.gz LTGSPZAFDKJSGR-KRWDZBQOSA-N 2 2 333.480 1.187 20 0 EDADLP C[C@@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCOCC1 ZINC000581245928 322153623 /nfs/dbraw/zinc/15/36/23/322153623.db2.gz AKLVFUJODLZCQR-ZDUSSCGKSA-N 2 2 341.402 1.851 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581662473 322205316 /nfs/dbraw/zinc/20/53/16/322205316.db2.gz LHHXHVYJVWPKPG-HOXSDCPRSA-N 2 2 348.487 1.858 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000581662473 322205320 /nfs/dbraw/zinc/20/53/20/322205320.db2.gz LHHXHVYJVWPKPG-HOXSDCPRSA-N 2 2 348.487 1.858 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332280412 444507882 /nfs/dbraw/zinc/50/78/82/444507882.db2.gz HWVYFWWBQUILJI-HOTGVXAUSA-N 2 2 339.480 1.347 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000332280412 444507883 /nfs/dbraw/zinc/50/78/83/444507883.db2.gz HWVYFWWBQUILJI-HOTGVXAUSA-N 2 2 339.480 1.347 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000343761783 444571352 /nfs/dbraw/zinc/57/13/52/444571352.db2.gz HZPXOQIXLXGYFB-FHLIZLRMSA-N 2 2 331.460 1.635 20 0 EDADLP COC1(C)CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000342155158 444538831 /nfs/dbraw/zinc/53/88/31/444538831.db2.gz OAESVBKZWMOZJW-UHFFFAOYSA-N 2 2 335.448 1.425 20 0 EDADLP OC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCO1 ZINC000342161623 444541424 /nfs/dbraw/zinc/54/14/24/444541424.db2.gz JHYABINQGLMDTK-CEXWTWQISA-N 2 2 334.460 1.407 20 0 EDADLP OC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCO1 ZINC000342161623 444541428 /nfs/dbraw/zinc/54/14/28/444541428.db2.gz JHYABINQGLMDTK-CEXWTWQISA-N 2 2 334.460 1.407 20 0 EDADLP CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c[nH+]1 ZINC000340944128 444588559 /nfs/dbraw/zinc/58/85/59/444588559.db2.gz ZOQXYGGBSVAFJT-MRXNPFEDSA-N 2 2 349.479 1.400 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000342292986 444616370 /nfs/dbraw/zinc/61/63/70/444616370.db2.gz SSHMMJGRBVNVKK-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000342292986 444616373 /nfs/dbraw/zinc/61/63/73/444616373.db2.gz SSHMMJGRBVNVKK-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP CC(C)[NH+]1CCC(N(C)c2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000333332828 444658410 /nfs/dbraw/zinc/65/84/10/444658410.db2.gz YXUPTGIKOIXNPH-HNNXBMFYSA-N 2 2 333.480 2.377 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)[nH+]c3)C[C@@H]12 ZINC000333879219 444706474 /nfs/dbraw/zinc/70/64/74/444706474.db2.gz DCJCWQOFFRLBAN-BZUAXINKSA-N 2 2 329.448 1.561 20 0 EDADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCSCC1)CC2 ZINC000343995968 444717590 /nfs/dbraw/zinc/71/75/90/444717590.db2.gz AYIFKCOUXMZIPN-XHSDSOJGSA-N 2 2 325.522 1.897 20 0 EDADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCSCC1)CC2 ZINC000343995968 444717593 /nfs/dbraw/zinc/71/75/93/444717593.db2.gz AYIFKCOUXMZIPN-XHSDSOJGSA-N 2 2 325.522 1.897 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333924658 444719574 /nfs/dbraw/zinc/71/95/74/444719574.db2.gz TVUIPGAIMFOSQE-CVEARBPZSA-N 2 2 329.448 1.433 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000341196216 444722741 /nfs/dbraw/zinc/72/27/41/444722741.db2.gz VLFIXJDMGBZTJN-UONOGXRCSA-N 2 2 327.469 1.106 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4cccnc4[nH]3)CC2)CC1 ZINC000334062296 444767555 /nfs/dbraw/zinc/76/75/55/444767555.db2.gz ZIQBSMUQFWEZDI-UHFFFAOYSA-N 2 2 341.459 1.851 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NC[C@@H](C)C[NH+](C)C)c2)cc[nH+]1 ZINC000341300372 444768901 /nfs/dbraw/zinc/76/89/01/444768901.db2.gz XSMWHAUGMHVYGO-CQSZACIVSA-N 2 2 341.459 2.325 20 0 EDADLP CC(C)[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000341305607 444770916 /nfs/dbraw/zinc/77/09/16/444770916.db2.gz RTSJXGJVUOANQK-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)[N@H+]1CCCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000341305607 444770922 /nfs/dbraw/zinc/77/09/22/444770922.db2.gz RTSJXGJVUOANQK-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)[NH+]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000341305607 444770927 /nfs/dbraw/zinc/77/09/27/444770927.db2.gz RTSJXGJVUOANQK-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)[NH+]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000341305607 444770933 /nfs/dbraw/zinc/77/09/33/444770933.db2.gz RTSJXGJVUOANQK-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC[N@@H+]1C[C@@H](C)O ZINC000334073996 444771491 /nfs/dbraw/zinc/77/14/91/444771491.db2.gz JBCAKSVIXPGWLU-KBUPBQIOSA-N 2 2 335.452 1.376 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC[N@H+]1C[C@@H](C)O ZINC000334073996 444771496 /nfs/dbraw/zinc/77/14/96/444771496.db2.gz JBCAKSVIXPGWLU-KBUPBQIOSA-N 2 2 335.452 1.376 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000334082824 444774090 /nfs/dbraw/zinc/77/40/90/444774090.db2.gz LBRRLKUMJVHBHM-CVEARBPZSA-N 2 2 335.452 1.198 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000334082824 444774092 /nfs/dbraw/zinc/77/40/92/444774092.db2.gz LBRRLKUMJVHBHM-CVEARBPZSA-N 2 2 335.452 1.198 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C[NH3+])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000344104757 444783080 /nfs/dbraw/zinc/78/30/80/444783080.db2.gz IRHURLHWKHHCCW-IRXDYDNUSA-N 2 2 346.381 1.994 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)c2ccnc(C[NH3+])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000344104757 444783084 /nfs/dbraw/zinc/78/30/84/444783084.db2.gz IRHURLHWKHHCCW-IRXDYDNUSA-N 2 2 346.381 1.994 20 0 EDADLP O[C@@H](COC1CCOCC1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336869486 444813736 /nfs/dbraw/zinc/81/37/36/444813736.db2.gz CHJCHLHRNKCTEO-QGZVFWFLSA-N 2 2 326.481 1.493 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)c1c(F)cccc1F ZINC000342707429 444826334 /nfs/dbraw/zinc/82/63/34/444826334.db2.gz MPRGNCOOOOFEEH-GXFFZTMASA-N 2 2 347.356 1.929 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000330084175 444838551 /nfs/dbraw/zinc/83/85/51/444838551.db2.gz KYMNYODHLXLISU-JKSUJKDBSA-N 2 2 331.464 1.384 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000330084175 444838556 /nfs/dbraw/zinc/83/85/56/444838556.db2.gz KYMNYODHLXLISU-JKSUJKDBSA-N 2 2 331.464 1.384 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000330084175 444838566 /nfs/dbraw/zinc/83/85/66/444838566.db2.gz KYMNYODHLXLISU-JKSUJKDBSA-N 2 2 331.464 1.384 20 0 EDADLP C[C@H]1C[NH+](CCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000338804721 444858941 /nfs/dbraw/zinc/85/89/41/444858941.db2.gz WZJOMWUCXFWGGF-GJZGRUSLSA-N 2 2 349.479 1.798 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@@H](C)O1 ZINC000338804722 444859224 /nfs/dbraw/zinc/85/92/24/444859224.db2.gz WZJOMWUCXFWGGF-HUUCEWRRSA-N 2 2 349.479 1.798 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341506102 444866931 /nfs/dbraw/zinc/86/69/31/444866931.db2.gz HSXSRWSHQQDCJJ-HOTGVXAUSA-N 2 2 340.512 1.166 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341506102 444866934 /nfs/dbraw/zinc/86/69/34/444866934.db2.gz HSXSRWSHQQDCJJ-HOTGVXAUSA-N 2 2 340.512 1.166 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2cnc(C(=O)OC(C)(C)C)cn2)CC1 ZINC000342815508 444877509 /nfs/dbraw/zinc/87/75/09/444877509.db2.gz COVQGYQCQVSRCU-UHFFFAOYSA-N 2 2 349.479 1.870 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000344288120 444881547 /nfs/dbraw/zinc/88/15/47/444881547.db2.gz WGWZRFNGTBKXIX-MRXNPFEDSA-N 2 2 333.480 1.952 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000338857408 444894419 /nfs/dbraw/zinc/89/44/19/444894419.db2.gz RHYKGPVXTZTFJA-SFHVURJKSA-N 2 2 335.492 1.430 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000338857408 444894423 /nfs/dbraw/zinc/89/44/23/444894423.db2.gz RHYKGPVXTZTFJA-SFHVURJKSA-N 2 2 335.492 1.430 20 0 EDADLP C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000341573118 444901353 /nfs/dbraw/zinc/90/13/53/444901353.db2.gz UQQHAKYZYYRYTF-RRFJBIMHSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000341573118 444901359 /nfs/dbraw/zinc/90/13/59/444901359.db2.gz UQQHAKYZYYRYTF-RRFJBIMHSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000341640419 444929587 /nfs/dbraw/zinc/92/95/87/444929587.db2.gz OBEMRQWLOKWOHT-OAHLLOKOSA-N 2 2 328.416 1.457 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000341594834 444913077 /nfs/dbraw/zinc/91/30/77/444913077.db2.gz UFKOULOMTKJJRL-VQHPVUNQSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000341594834 444913079 /nfs/dbraw/zinc/91/30/79/444913079.db2.gz UFKOULOMTKJJRL-VQHPVUNQSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000341594834 444913080 /nfs/dbraw/zinc/91/30/80/444913080.db2.gz UFKOULOMTKJJRL-VQHPVUNQSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000341594834 444913082 /nfs/dbraw/zinc/91/30/82/444913082.db2.gz UFKOULOMTKJJRL-VQHPVUNQSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000342885764 444917874 /nfs/dbraw/zinc/91/78/74/444917874.db2.gz UXSVXOPSTRTBKI-WBVHZDCISA-N 2 2 326.444 1.940 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000342885764 444917878 /nfs/dbraw/zinc/91/78/78/444917878.db2.gz UXSVXOPSTRTBKI-WBVHZDCISA-N 2 2 326.444 1.940 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C1)CCCC2 ZINC000330283819 444922060 /nfs/dbraw/zinc/92/20/60/444922060.db2.gz WQFHMIJMJBMFBN-WMLDXEAASA-N 2 2 332.448 1.174 20 0 EDADLP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C1)CCCC2 ZINC000330283819 444922063 /nfs/dbraw/zinc/92/20/63/444922063.db2.gz WQFHMIJMJBMFBN-WMLDXEAASA-N 2 2 332.448 1.174 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH+](C)C ZINC000339090435 445028325 /nfs/dbraw/zinc/02/83/25/445028325.db2.gz LTVHZQWAFIEXJH-MRXNPFEDSA-N 2 2 330.432 1.780 20 0 EDADLP COc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625547820 450420961 /nfs/dbraw/zinc/42/09/61/450420961.db2.gz QTYIVTIPCOLLLR-UHFFFAOYSA-N 2 2 347.459 1.820 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000337273962 445011985 /nfs/dbraw/zinc/01/19/85/445011985.db2.gz FGOAXNBKVFPDKB-UHFFFAOYSA-N 2 2 346.475 1.541 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000337368186 445050540 /nfs/dbraw/zinc/05/05/40/445050540.db2.gz MYOOJPMMYBIHJE-OAHLLOKOSA-N 2 2 326.485 1.319 20 0 EDADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCN4CCOC[C@H]4C3)C2)cc1 ZINC000341909946 445066882 /nfs/dbraw/zinc/06/68/82/445066882.db2.gz NBQUAVKQOIDBRA-UXHICEINSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCN4CCOC[C@H]4C3)C2)cc1 ZINC000341909946 445066887 /nfs/dbraw/zinc/06/68/87/445066887.db2.gz NBQUAVKQOIDBRA-UXHICEINSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCN4CCOC[C@H]4C3)C2)cc1 ZINC000341909946 445066893 /nfs/dbraw/zinc/06/68/93/445066893.db2.gz NBQUAVKQOIDBRA-UXHICEINSA-N 2 2 345.487 1.294 20 0 EDADLP O=C(NCCc1[nH]cc[nH+]1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000344579133 445071262 /nfs/dbraw/zinc/07/12/62/445071262.db2.gz PUFFSFFYNCCUQN-UHFFFAOYSA-N 2 2 342.443 1.587 20 0 EDADLP CN(C(=O)c1cn[nH]c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339173880 445073727 /nfs/dbraw/zinc/07/37/27/445073727.db2.gz KOESDEUYBWQMAJ-IAGOWNOFSA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1cn[nH]c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339173880 445073729 /nfs/dbraw/zinc/07/37/29/445073729.db2.gz KOESDEUYBWQMAJ-IAGOWNOFSA-N 2 2 333.480 1.819 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343079132 445046874 /nfs/dbraw/zinc/04/68/74/445046874.db2.gz OSVXNUXXLQMCJI-UYAOXDASSA-N 3 2 330.520 1.734 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343079132 445046879 /nfs/dbraw/zinc/04/68/79/445046879.db2.gz OSVXNUXXLQMCJI-UYAOXDASSA-N 3 2 330.520 1.734 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000344738826 445138216 /nfs/dbraw/zinc/13/82/16/445138216.db2.gz HWYANKMULUSXKY-PBHICJAKSA-N 2 2 333.480 1.356 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC[N@H+](C2CCC2)C1 ZINC000344738826 445138219 /nfs/dbraw/zinc/13/82/19/445138219.db2.gz HWYANKMULUSXKY-PBHICJAKSA-N 2 2 333.480 1.356 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000337607999 445164952 /nfs/dbraw/zinc/16/49/52/445164952.db2.gz SQUCEOCWIUSNJU-LSDHHAIUSA-N 2 2 340.443 1.696 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000337607999 445164958 /nfs/dbraw/zinc/16/49/58/445164958.db2.gz SQUCEOCWIUSNJU-LSDHHAIUSA-N 2 2 340.443 1.696 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)C[C@@H]21 ZINC000342096291 445169651 /nfs/dbraw/zinc/16/96/51/445169651.db2.gz ZFLGQYOCTUPHEP-MELADBBJSA-N 2 2 328.416 1.031 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)C[C@@H]21 ZINC000342096291 445169654 /nfs/dbraw/zinc/16/96/54/445169654.db2.gz ZFLGQYOCTUPHEP-MELADBBJSA-N 2 2 328.416 1.031 20 0 EDADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCn2cc[nH+]c2C1 ZINC000345533284 445189320 /nfs/dbraw/zinc/18/93/20/445189320.db2.gz BOGYMNMKYMBGLL-KRWDZBQOSA-N 2 2 340.427 1.516 20 0 EDADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCn2cc[nH+]c2C1 ZINC000345533284 445189321 /nfs/dbraw/zinc/18/93/21/445189321.db2.gz BOGYMNMKYMBGLL-KRWDZBQOSA-N 2 2 340.427 1.516 20 0 EDADLP CN(C)c1[nH+]cc(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)n1C ZINC000337601198 445160646 /nfs/dbraw/zinc/16/06/46/445160646.db2.gz JMERLOIOBHLQDP-UHFFFAOYSA-N 2 2 349.402 1.622 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000346100291 445206044 /nfs/dbraw/zinc/20/60/44/445206044.db2.gz HOSJPQPENYDAJF-BSDSXHPESA-N 2 2 337.508 1.961 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000346100291 445206046 /nfs/dbraw/zinc/20/60/46/445206046.db2.gz HOSJPQPENYDAJF-BSDSXHPESA-N 2 2 337.508 1.961 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH2+][C@H](C(N)=O)c2ccccc2)CCC[N@@H+]1C ZINC000343378235 445212661 /nfs/dbraw/zinc/21/26/61/445212661.db2.gz WDLTUULNKGQYLZ-NJAFHUGGSA-N 2 2 341.459 1.619 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH2+][C@H](C(N)=O)c2ccccc2)CCC[N@H+]1C ZINC000343378235 445212662 /nfs/dbraw/zinc/21/26/62/445212662.db2.gz WDLTUULNKGQYLZ-NJAFHUGGSA-N 2 2 341.459 1.619 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000343383301 445213242 /nfs/dbraw/zinc/21/32/42/445213242.db2.gz HMZUFXNDXUQNMH-AMIZOPFISA-N 2 2 325.825 1.640 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)CCC[N@@H+]1C ZINC000345774270 445199129 /nfs/dbraw/zinc/19/91/29/445199129.db2.gz ITMISZVCVVRHBM-HOCLYGCPSA-N 2 2 341.459 2.429 20 0 EDADLP C[C@H]1[C@@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)CCC[N@H+]1C ZINC000345774270 445199132 /nfs/dbraw/zinc/19/91/32/445199132.db2.gz ITMISZVCVVRHBM-HOCLYGCPSA-N 2 2 341.459 2.429 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000343508506 445235988 /nfs/dbraw/zinc/23/59/88/445235988.db2.gz SPLVLKWJSCKRAL-MJGOQNOKSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000343508506 445235990 /nfs/dbraw/zinc/23/59/90/445235990.db2.gz SPLVLKWJSCKRAL-MJGOQNOKSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000343508506 445235991 /nfs/dbraw/zinc/23/59/91/445235991.db2.gz SPLVLKWJSCKRAL-MJGOQNOKSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000343508506 445235993 /nfs/dbraw/zinc/23/59/93/445235993.db2.gz SPLVLKWJSCKRAL-MJGOQNOKSA-N 2 2 345.487 1.829 20 0 EDADLP NC(=O)N1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000343565290 445245189 /nfs/dbraw/zinc/24/51/89/445245189.db2.gz IQCBTBUGXCCPAJ-UHFFFAOYSA-N 2 2 332.448 1.152 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000348309174 445251196 /nfs/dbraw/zinc/25/11/96/445251196.db2.gz PZBCGVGQWLGQIY-CABCVRRESA-N 2 2 342.447 1.203 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000348528036 445315287 /nfs/dbraw/zinc/31/52/87/445315287.db2.gz WJTUVBNJTVLYNV-QGZVFWFLSA-N 2 2 334.439 1.476 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000348528036 445315289 /nfs/dbraw/zinc/31/52/89/445315289.db2.gz WJTUVBNJTVLYNV-QGZVFWFLSA-N 2 2 334.439 1.476 20 0 EDADLP CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000348233505 445324225 /nfs/dbraw/zinc/32/42/25/445324225.db2.gz JWZUODGJPMUMQG-APWZRJJASA-N 2 2 346.475 1.620 20 0 EDADLP CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000348233505 445324228 /nfs/dbraw/zinc/32/42/28/445324228.db2.gz JWZUODGJPMUMQG-APWZRJJASA-N 2 2 346.475 1.620 20 0 EDADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000351725737 445294853 /nfs/dbraw/zinc/29/48/53/445294853.db2.gz XLZNKPVQVNMNDM-OALUTQOASA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000351725737 445294855 /nfs/dbraw/zinc/29/48/55/445294855.db2.gz XLZNKPVQVNMNDM-OALUTQOASA-N 2 2 343.471 1.828 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000351811019 445329878 /nfs/dbraw/zinc/32/98/78/445329878.db2.gz ONDHFRLSBXZVIT-JFIYKMOQSA-N 2 2 331.460 1.204 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000351811019 445329879 /nfs/dbraw/zinc/32/98/79/445329879.db2.gz ONDHFRLSBXZVIT-JFIYKMOQSA-N 2 2 331.460 1.204 20 0 EDADLP CC(=O)N[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000351845943 445341537 /nfs/dbraw/zinc/34/15/37/445341537.db2.gz XEOGTIOBBOSPAT-LJQANCHMSA-N 2 2 344.503 1.799 20 0 EDADLP CC(=O)N[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000351845943 445341540 /nfs/dbraw/zinc/34/15/40/445341540.db2.gz XEOGTIOBBOSPAT-LJQANCHMSA-N 2 2 344.503 1.799 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000348292903 445341689 /nfs/dbraw/zinc/34/16/89/445341689.db2.gz OGVRODZDGTXMDQ-KBPBESRZSA-N 2 2 327.469 1.106 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000351855437 445344395 /nfs/dbraw/zinc/34/43/95/445344395.db2.gz TXBKYFJBZLDDST-TZMCWYRMSA-N 2 2 330.432 1.186 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000351855437 445344396 /nfs/dbraw/zinc/34/43/96/445344396.db2.gz TXBKYFJBZLDDST-TZMCWYRMSA-N 2 2 330.432 1.186 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000354738941 445359160 /nfs/dbraw/zinc/35/91/60/445359160.db2.gz UMKGZRBOFGCYDC-UHFFFAOYSA-N 2 2 328.416 1.367 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357068200 445405248 /nfs/dbraw/zinc/40/52/48/445405248.db2.gz DLYHFFKTKSJUPF-FGTMMUONSA-N 2 2 342.487 1.265 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357068200 445405253 /nfs/dbraw/zinc/40/52/53/445405253.db2.gz DLYHFFKTKSJUPF-FGTMMUONSA-N 2 2 342.487 1.265 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357070937 445406213 /nfs/dbraw/zinc/40/62/13/445406213.db2.gz BFJLNQUKVSPOAK-MSOLQXFVSA-N 2 2 331.460 1.381 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357070937 445406217 /nfs/dbraw/zinc/40/62/17/445406217.db2.gz BFJLNQUKVSPOAK-MSOLQXFVSA-N 2 2 331.460 1.381 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000362490645 445408806 /nfs/dbraw/zinc/40/88/06/445408806.db2.gz UGOYZLKYEDKNRC-VQIMIIECSA-N 2 2 345.487 1.927 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000362490645 445408810 /nfs/dbraw/zinc/40/88/10/445408810.db2.gz UGOYZLKYEDKNRC-VQIMIIECSA-N 2 2 345.487 1.927 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357076205 445410076 /nfs/dbraw/zinc/41/00/76/445410076.db2.gz IGUBPMQQRGYPIX-JHJVBQTASA-N 2 2 334.395 1.404 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357076205 445410079 /nfs/dbraw/zinc/41/00/79/445410079.db2.gz IGUBPMQQRGYPIX-JHJVBQTASA-N 2 2 334.395 1.404 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000354831787 445414768 /nfs/dbraw/zinc/41/47/68/445414768.db2.gz PFQCLVLJMGCXMI-CVEARBPZSA-N 2 2 333.480 1.150 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000354831787 445414773 /nfs/dbraw/zinc/41/47/73/445414773.db2.gz PFQCLVLJMGCXMI-CVEARBPZSA-N 2 2 333.480 1.150 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000359778274 445423601 /nfs/dbraw/zinc/42/36/01/445423601.db2.gz NDQYAUVXZFICQG-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000359778274 445423605 /nfs/dbraw/zinc/42/36/05/445423605.db2.gz NDQYAUVXZFICQG-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000359778274 445423609 /nfs/dbraw/zinc/42/36/09/445423609.db2.gz NDQYAUVXZFICQG-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000359778274 445423615 /nfs/dbraw/zinc/42/36/15/445423615.db2.gz NDQYAUVXZFICQG-DOTOQJQBSA-N 2 2 325.497 1.724 20 0 EDADLP Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000354851887 445425085 /nfs/dbraw/zinc/42/50/85/445425085.db2.gz JCOQOIXJXFMPIP-GDBMZVCRSA-N 2 2 342.422 1.770 20 0 EDADLP O=C(CN1CCn2cc[nH+]c2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000357042324 445390461 /nfs/dbraw/zinc/39/04/61/445390461.db2.gz KIWDGMBEZACGML-UHFFFAOYSA-N 2 2 339.443 1.043 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000362637576 445473202 /nfs/dbraw/zinc/47/32/02/445473202.db2.gz HSJOPNNSBKHKRJ-BZUAXINKSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1C[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000362637576 445473206 /nfs/dbraw/zinc/47/32/06/445473206.db2.gz HSJOPNNSBKHKRJ-BZUAXINKSA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357207377 445481713 /nfs/dbraw/zinc/48/17/13/445481713.db2.gz YQXNRKDDDXTEEW-RBUKOAKNSA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357207377 445481718 /nfs/dbraw/zinc/48/17/18/445481718.db2.gz YQXNRKDDDXTEEW-RBUKOAKNSA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357207377 445481720 /nfs/dbraw/zinc/48/17/20/445481720.db2.gz YQXNRKDDDXTEEW-RBUKOAKNSA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)C1 ZINC000357207377 445481724 /nfs/dbraw/zinc/48/17/24/445481724.db2.gz YQXNRKDDDXTEEW-RBUKOAKNSA-N 2 2 345.487 1.481 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357252380 445508306 /nfs/dbraw/zinc/50/83/06/445508306.db2.gz DTIJYYZZXCSQDB-GJZGRUSLSA-N 2 2 349.479 1.096 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357252380 445508310 /nfs/dbraw/zinc/50/83/10/445508310.db2.gz DTIJYYZZXCSQDB-GJZGRUSLSA-N 2 2 349.479 1.096 20 0 EDADLP Nc1nc(-n2cccn2)cc(NCc2cccc(-n3cc[nH+]c3)c2)[nH+]1 ZINC000357252647 445509342 /nfs/dbraw/zinc/50/93/42/445509342.db2.gz AQLKWXYFPWRYJS-UHFFFAOYSA-N 2 2 332.371 2.042 20 0 EDADLP COC(=O)c1oc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000362704303 445509684 /nfs/dbraw/zinc/50/96/84/445509684.db2.gz SZALCXDPVRBPQD-DOTOQJQBSA-N 2 2 349.475 1.832 20 0 EDADLP COC(=O)c1oc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000362704303 445509687 /nfs/dbraw/zinc/50/96/87/445509687.db2.gz SZALCXDPVRBPQD-DOTOQJQBSA-N 2 2 349.475 1.832 20 0 EDADLP C[C@@H](C(=O)NCc1[nH+]ccn1CCCc1ccccc1)C1C[NH2+]C1 ZINC000357253943 445510093 /nfs/dbraw/zinc/51/00/93/445510093.db2.gz XNTNSOPQIQWLPC-OAHLLOKOSA-N 2 2 326.444 1.988 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000362720353 445517162 /nfs/dbraw/zinc/51/71/62/445517162.db2.gz VHAOMSVRBIWLLQ-SJLPKXTDSA-N 2 2 330.476 1.172 20 0 EDADLP C[NH+]1CCN(C[C@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)CC1 ZINC000362720353 445517164 /nfs/dbraw/zinc/51/71/64/445517164.db2.gz VHAOMSVRBIWLLQ-SJLPKXTDSA-N 2 2 330.476 1.172 20 0 EDADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000352391467 445525786 /nfs/dbraw/zinc/52/57/86/445525786.db2.gz LPRBPZFVQRIBTF-XHSDSOJGSA-N 2 2 333.480 2.092 20 0 EDADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000352391467 445525789 /nfs/dbraw/zinc/52/57/89/445525789.db2.gz LPRBPZFVQRIBTF-XHSDSOJGSA-N 2 2 333.480 2.092 20 0 EDADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362682851 445498083 /nfs/dbraw/zinc/49/80/83/445498083.db2.gz HFTSYXMTRIUSGE-MRXNPFEDSA-N 2 2 347.507 1.651 20 0 EDADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362682851 445498085 /nfs/dbraw/zinc/49/80/85/445498085.db2.gz HFTSYXMTRIUSGE-MRXNPFEDSA-N 2 2 347.507 1.651 20 0 EDADLP C[C@H]1CN(Cc2ccn(C(F)F)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000349298311 445557904 /nfs/dbraw/zinc/55/79/04/445557904.db2.gz OXDGPQUIFNCEFR-ZDUSSCGKSA-N 2 2 327.423 1.879 20 0 EDADLP C[C@H]1CN(Cc2ccn(C(F)F)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000349298311 445557907 /nfs/dbraw/zinc/55/79/07/445557907.db2.gz OXDGPQUIFNCEFR-ZDUSSCGKSA-N 2 2 327.423 1.879 20 0 EDADLP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828369 445568640 /nfs/dbraw/zinc/56/86/40/445568640.db2.gz WCHVXNKRKJKJQU-QGZVFWFLSA-N 2 2 331.460 1.660 20 0 EDADLP Cc1ccccc1OCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828369 445568643 /nfs/dbraw/zinc/56/86/43/445568643.db2.gz WCHVXNKRKJKJQU-QGZVFWFLSA-N 2 2 331.460 1.660 20 0 EDADLP C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000349381700 445574461 /nfs/dbraw/zinc/57/44/61/445574461.db2.gz QQBCKPLHTIMHLA-CQSZACIVSA-N 2 2 344.463 1.874 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000360120515 445578161 /nfs/dbraw/zinc/57/81/61/445578161.db2.gz WTDXGNRFLBBTOY-IAGOWNOFSA-N 2 2 342.528 1.859 20 0 EDADLP CN1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)C2)CC1 ZINC000362846919 445578633 /nfs/dbraw/zinc/57/86/33/445578633.db2.gz MLSDGZPWCPVVAP-DLBZAZTESA-N 2 2 345.491 1.247 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000349561684 445612889 /nfs/dbraw/zinc/61/28/89/445612889.db2.gz APCSAEBVKDJWTB-INIZCTEOSA-N 2 2 347.459 1.214 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000349561684 445612893 /nfs/dbraw/zinc/61/28/93/445612893.db2.gz APCSAEBVKDJWTB-INIZCTEOSA-N 2 2 347.459 1.214 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000353468657 445615521 /nfs/dbraw/zinc/61/55/21/445615521.db2.gz OXGNHXGCZZLLLX-SJORKVTESA-N 2 2 326.444 1.978 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000356102536 445622602 /nfs/dbraw/zinc/62/26/02/445622602.db2.gz WSGSIVGPTQEUKA-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1[C@H](C)N(CC2(C[N@@H+]3CCN(C)[C@@H](C)[C@H]3C)COC2)CC[NH+]1C ZINC000360213797 445633247 /nfs/dbraw/zinc/63/32/47/445633247.db2.gz RCXYRHDZUHWLPI-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@H](C)N(CC2(C[N@H+]3CCN(C)[C@@H](C)[C@H]3C)COC2)CC[NH+]1C ZINC000360213797 445633249 /nfs/dbraw/zinc/63/32/49/445633249.db2.gz RCXYRHDZUHWLPI-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@H](C)N(C)CC[NH+]1CC1(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)COC1 ZINC000360213797 445633251 /nfs/dbraw/zinc/63/32/51/445633251.db2.gz RCXYRHDZUHWLPI-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@H](C)N(C)CC[NH+]1CC1(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)COC1 ZINC000360213797 445633252 /nfs/dbraw/zinc/63/32/52/445633252.db2.gz RCXYRHDZUHWLPI-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](CC2(CN3CC[NH+](C)[C@@H](C)[C@H]3C)COC2)CCN1C ZINC000360213797 445633254 /nfs/dbraw/zinc/63/32/54/445633254.db2.gz RCXYRHDZUHWLPI-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](CC2(CN3CC[NH+](C)[C@@H](C)[C@H]3C)COC2)CCN1C ZINC000360213797 445633256 /nfs/dbraw/zinc/63/32/56/445633256.db2.gz RCXYRHDZUHWLPI-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@H](C)[NH+](CC2(CN3CC[N@H+](C)[C@@H](C)[C@H]3C)COC2)CCN1C ZINC000360213797 445633257 /nfs/dbraw/zinc/63/32/57/445633257.db2.gz RCXYRHDZUHWLPI-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1[C@H](C)[NH+](CC2(CN3CC[N@@H+](C)[C@@H](C)[C@H]3C)COC2)CCN1C ZINC000360213797 445633259 /nfs/dbraw/zinc/63/32/59/445633259.db2.gz RCXYRHDZUHWLPI-FZDBZEDMSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](Cc2cscn2)CC1 ZINC000363093973 445674990 /nfs/dbraw/zinc/67/49/90/445674990.db2.gz OTDDQSAKDLQQPH-ZDUSSCGKSA-N 2 2 339.509 1.747 20 0 EDADLP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000358636676 445688391 /nfs/dbraw/zinc/68/83/91/445688391.db2.gz SNWURSWMEAURAJ-SJORKVTESA-N 2 2 337.508 1.678 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000356238431 445692137 /nfs/dbraw/zinc/69/21/37/445692137.db2.gz UFCWMQVKUMKWOY-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000356238431 445692141 /nfs/dbraw/zinc/69/21/41/445692141.db2.gz UFCWMQVKUMKWOY-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000356238430 445692345 /nfs/dbraw/zinc/69/23/45/445692345.db2.gz UFCWMQVKUMKWOY-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000356238430 445692351 /nfs/dbraw/zinc/69/23/51/445692351.db2.gz UFCWMQVKUMKWOY-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](F)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000358658711 445698768 /nfs/dbraw/zinc/69/87/68/445698768.db2.gz LWQWEKOVQMNGOD-QLFBSQMISA-N 2 2 326.460 1.687 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](F)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000358658711 445698770 /nfs/dbraw/zinc/69/87/70/445698770.db2.gz LWQWEKOVQMNGOD-QLFBSQMISA-N 2 2 326.460 1.687 20 0 EDADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCC(C)(C)C1 ZINC000361463683 445772766 /nfs/dbraw/zinc/77/27/66/445772766.db2.gz AFSMGJWZIOCPGO-HNNXBMFYSA-N 2 2 325.497 1.724 20 0 EDADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CCC(C)(C)C1 ZINC000361463683 445772770 /nfs/dbraw/zinc/77/27/70/445772770.db2.gz AFSMGJWZIOCPGO-HNNXBMFYSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000363290686 445754106 /nfs/dbraw/zinc/75/41/06/445754106.db2.gz FRVPULKUKHTMBD-GOEBONIOSA-N 2 2 342.447 1.891 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1C ZINC000363290686 445754109 /nfs/dbraw/zinc/75/41/09/445754109.db2.gz FRVPULKUKHTMBD-GOEBONIOSA-N 2 2 342.447 1.891 20 0 EDADLP CC(C)(CNC(=O)C[N@H+](CC1CC1)CC1CCC1)[NH+]1CCOCC1 ZINC000361555842 445817970 /nfs/dbraw/zinc/81/79/70/445817970.db2.gz CXPJOCYERBRJNN-UHFFFAOYSA-N 2 2 337.508 1.726 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+](CC1CC1)CC1CCC1)[NH+]1CCOCC1 ZINC000361555842 445817976 /nfs/dbraw/zinc/81/79/76/445817976.db2.gz CXPJOCYERBRJNN-UHFFFAOYSA-N 2 2 337.508 1.726 20 0 EDADLP CC[N@H+](C[C@H](C)OC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000361567418 445823810 /nfs/dbraw/zinc/82/38/10/445823810.db2.gz WNNAJRNVPOUQDM-JKSUJKDBSA-N 2 2 334.464 1.476 20 0 EDADLP CC[N@@H+](C[C@H](C)OC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000361567418 445823813 /nfs/dbraw/zinc/82/38/13/445823813.db2.gz WNNAJRNVPOUQDM-JKSUJKDBSA-N 2 2 334.464 1.476 20 0 EDADLP CO[C@@H](C)c1noc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363482148 445824607 /nfs/dbraw/zinc/82/46/07/445824607.db2.gz XQJRDCFCGRBFPE-DZGCQCFKSA-N 2 2 337.468 1.377 20 0 EDADLP CO[C@@H](C)c1noc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000363482148 445824611 /nfs/dbraw/zinc/82/46/11/445824611.db2.gz XQJRDCFCGRBFPE-DZGCQCFKSA-N 2 2 337.468 1.377 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000358801033 445781438 /nfs/dbraw/zinc/78/14/38/445781438.db2.gz BZINQCZKCUHXGG-IXDOHACOSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000358801033 445781444 /nfs/dbraw/zinc/78/14/44/445781444.db2.gz BZINQCZKCUHXGG-IXDOHACOSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000358801033 445781446 /nfs/dbraw/zinc/78/14/46/445781446.db2.gz BZINQCZKCUHXGG-IXDOHACOSA-N 2 2 338.496 1.079 20 0 EDADLP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000358801033 445781451 /nfs/dbraw/zinc/78/14/51/445781451.db2.gz BZINQCZKCUHXGG-IXDOHACOSA-N 2 2 338.496 1.079 20 0 EDADLP C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)(C)C[NH+](C)C ZINC000358820900 445792152 /nfs/dbraw/zinc/79/21/52/445792152.db2.gz HEQXHLSXVJQMRX-ZIAGYGMSSA-N 2 2 349.479 1.556 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363418858 445796175 /nfs/dbraw/zinc/79/61/75/445796175.db2.gz RMBXOZIZKUHTGP-FGTMMUONSA-N 2 2 336.524 1.488 20 0 EDADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363418858 445796177 /nfs/dbraw/zinc/79/61/77/445796177.db2.gz RMBXOZIZKUHTGP-FGTMMUONSA-N 2 2 336.524 1.488 20 0 EDADLP C(CC1CC[NH+](Cc2nnc3n2CCCC3)CC1)C[NH+]1CCOCC1 ZINC000356456902 445800749 /nfs/dbraw/zinc/80/07/49/445800749.db2.gz NKNGCTJHGFLEIV-UHFFFAOYSA-N 2 2 347.507 1.939 20 0 EDADLP CCCN(CCC)C(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361531059 445806886 /nfs/dbraw/zinc/80/68/86/445806886.db2.gz OGFHIQDEDFVZNQ-UHFFFAOYSA-N 2 2 334.464 1.861 20 0 EDADLP C[N@H+](Cc1cn2cccnc2n1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453215 445811941 /nfs/dbraw/zinc/81/19/41/445811941.db2.gz SQHAUMZGJXZQPM-UHFFFAOYSA-N 2 2 329.448 1.805 20 0 EDADLP C[N@@H+](Cc1cn2cccnc2n1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453215 445811944 /nfs/dbraw/zinc/81/19/44/445811944.db2.gz SQHAUMZGJXZQPM-UHFFFAOYSA-N 2 2 329.448 1.805 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)c3ccnc(C[NH3+])c3)CC2)[nH+]c1 ZINC000361631250 445857275 /nfs/dbraw/zinc/85/72/75/445857275.db2.gz JOVNBPPQDXESQK-UHFFFAOYSA-N 2 2 325.416 1.643 20 0 EDADLP Cc1cccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc(=O)n12 ZINC000361673186 445871637 /nfs/dbraw/zinc/87/16/37/445871637.db2.gz VTHKTLHDLQBBHS-DOTOQJQBSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccc2nc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc(=O)n12 ZINC000361673186 445871640 /nfs/dbraw/zinc/87/16/40/445871640.db2.gz VTHKTLHDLQBBHS-DOTOQJQBSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccc2nc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc(=O)n12 ZINC000361673186 445871644 /nfs/dbraw/zinc/87/16/44/445871644.db2.gz VTHKTLHDLQBBHS-DOTOQJQBSA-N 2 2 326.444 1.919 20 0 EDADLP Cc1cccc2nc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc(=O)n12 ZINC000361673186 445871647 /nfs/dbraw/zinc/87/16/47/445871647.db2.gz VTHKTLHDLQBBHS-DOTOQJQBSA-N 2 2 326.444 1.919 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000361673077 445871884 /nfs/dbraw/zinc/87/18/84/445871884.db2.gz UNZQHUPUYRRMSZ-FUHWJXTLSA-N 2 2 333.451 1.901 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000361673077 445871889 /nfs/dbraw/zinc/87/18/89/445871889.db2.gz UNZQHUPUYRRMSZ-FUHWJXTLSA-N 2 2 333.451 1.901 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000361673077 445871894 /nfs/dbraw/zinc/87/18/94/445871894.db2.gz UNZQHUPUYRRMSZ-FUHWJXTLSA-N 2 2 333.451 1.901 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCCc3ccc(F)cc3)CC[C@H]21 ZINC000361673077 445871899 /nfs/dbraw/zinc/87/18/99/445871899.db2.gz UNZQHUPUYRRMSZ-FUHWJXTLSA-N 2 2 333.451 1.901 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361676452 445873095 /nfs/dbraw/zinc/87/30/95/445873095.db2.gz YNKZVMIEHMKXEL-XHSDSOJGSA-N 2 2 333.480 1.780 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000361676452 445873101 /nfs/dbraw/zinc/87/31/01/445873101.db2.gz YNKZVMIEHMKXEL-XHSDSOJGSA-N 2 2 333.480 1.780 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000361676452 445873107 /nfs/dbraw/zinc/87/31/07/445873107.db2.gz YNKZVMIEHMKXEL-XHSDSOJGSA-N 2 2 333.480 1.780 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000361676452 445873113 /nfs/dbraw/zinc/87/31/13/445873113.db2.gz YNKZVMIEHMKXEL-XHSDSOJGSA-N 2 2 333.480 1.780 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000363999683 445889826 /nfs/dbraw/zinc/88/98/26/445889826.db2.gz MTDCWQQZPHFGKZ-OAHLLOKOSA-N 2 2 342.447 1.506 20 0 EDADLP c1cc(-c2ccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)o2)n[nH]1 ZINC000366009020 445958199 /nfs/dbraw/zinc/95/81/99/445958199.db2.gz KYIDIANHBIYECH-HNNXBMFYSA-N 2 2 345.447 1.166 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(N4CCOCC4)s3)C2)C1 ZINC000354164364 445961107 /nfs/dbraw/zinc/96/11/07/445961107.db2.gz AFYYKJCYVJGWGN-KRWDZBQOSA-N 2 2 336.505 1.897 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(N4CCOCC4)s3)C2)C1 ZINC000354164364 445961110 /nfs/dbraw/zinc/96/11/10/445961110.db2.gz AFYYKJCYVJGWGN-KRWDZBQOSA-N 2 2 336.505 1.897 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)C1 ZINC000354164364 445961116 /nfs/dbraw/zinc/96/11/16/445961116.db2.gz AFYYKJCYVJGWGN-KRWDZBQOSA-N 2 2 336.505 1.897 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)C1 ZINC000354164364 445961119 /nfs/dbraw/zinc/96/11/19/445961119.db2.gz AFYYKJCYVJGWGN-KRWDZBQOSA-N 2 2 336.505 1.897 20 0 EDADLP CN(C(=O)[C@@H](O)C1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364843873 445961134 /nfs/dbraw/zinc/96/11/34/445961134.db2.gz CHUYGTHOXKGIAO-ROUUACIJSA-N 2 2 337.508 1.555 20 0 EDADLP CN(C(=O)[C@@H](O)C1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364843873 445961140 /nfs/dbraw/zinc/96/11/40/445961140.db2.gz CHUYGTHOXKGIAO-ROUUACIJSA-N 2 2 337.508 1.555 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnn3CC(F)F)C2)CC1 ZINC000366049897 445982047 /nfs/dbraw/zinc/98/20/47/445982047.db2.gz BFUMTHAVSWQAMO-GFCCVEGCSA-N 2 2 341.406 1.047 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnn3CC(F)F)C2)CC1 ZINC000366049897 445982052 /nfs/dbraw/zinc/98/20/52/445982052.db2.gz BFUMTHAVSWQAMO-GFCCVEGCSA-N 2 2 341.406 1.047 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000364727670 445950379 /nfs/dbraw/zinc/95/03/79/445950379.db2.gz GRRNPBGJMONWTF-IKGGRYGDSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(c4cccc[nH+]4)C3)[C@H]2C1 ZINC000364727670 445950384 /nfs/dbraw/zinc/95/03/84/445950384.db2.gz GRRNPBGJMONWTF-IKGGRYGDSA-N 2 2 343.475 1.786 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C ZINC000354223936 446019586 /nfs/dbraw/zinc/01/95/86/446019586.db2.gz MBALJNNQGWCIND-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C ZINC000354223936 446019594 /nfs/dbraw/zinc/01/95/94/446019594.db2.gz MBALJNNQGWCIND-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C ZINC000354223936 446019600 /nfs/dbraw/zinc/01/96/00/446019600.db2.gz MBALJNNQGWCIND-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C ZINC000354223936 446019607 /nfs/dbraw/zinc/01/96/07/446019607.db2.gz MBALJNNQGWCIND-DOTOQJQBSA-N 2 2 346.475 1.817 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000373094223 446023080 /nfs/dbraw/zinc/02/30/80/446023080.db2.gz GMNOEZDABHWKDV-LBPRGKRZSA-N 2 2 329.429 1.869 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000373094223 446023086 /nfs/dbraw/zinc/02/30/86/446023086.db2.gz GMNOEZDABHWKDV-LBPRGKRZSA-N 2 2 329.429 1.869 20 0 EDADLP COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000369265317 446030921 /nfs/dbraw/zinc/03/09/21/446030921.db2.gz FOPXWGSPMNYMCW-CQSZACIVSA-N 2 2 347.459 1.602 20 0 EDADLP COc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000369265317 446030924 /nfs/dbraw/zinc/03/09/24/446030924.db2.gz FOPXWGSPMNYMCW-CQSZACIVSA-N 2 2 347.459 1.602 20 0 EDADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1C(C)(C)C ZINC000369272772 446037398 /nfs/dbraw/zinc/03/73/98/446037398.db2.gz CSWVLGZYJSWSAW-OAHLLOKOSA-N 2 2 347.507 1.845 20 0 EDADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1C(C)(C)C ZINC000369272772 446037402 /nfs/dbraw/zinc/03/74/02/446037402.db2.gz CSWVLGZYJSWSAW-OAHLLOKOSA-N 2 2 347.507 1.845 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@@H](O)CC1CCCC1 ZINC000365066141 446003259 /nfs/dbraw/zinc/00/32/59/446003259.db2.gz HAAWTMMDRXOVHF-NEWSRXKRSA-N 2 2 339.524 1.264 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@H](O)CC1CCCC1 ZINC000365066141 446003262 /nfs/dbraw/zinc/00/32/62/446003262.db2.gz HAAWTMMDRXOVHF-NEWSRXKRSA-N 2 2 339.524 1.264 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000365066141 446003265 /nfs/dbraw/zinc/00/32/65/446003265.db2.gz HAAWTMMDRXOVHF-NEWSRXKRSA-N 2 2 339.524 1.264 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccccc1F ZINC000583201560 326025575 /nfs/dbraw/zinc/02/55/75/326025575.db2.gz KSIWERKEAJOJJT-KRWDZBQOSA-N 2 2 346.406 1.533 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000583354909 326054637 /nfs/dbraw/zinc/05/46/37/326054637.db2.gz PHQYZBDFMSDVQJ-JYJNAYRXSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000583354909 326054641 /nfs/dbraw/zinc/05/46/41/326054641.db2.gz PHQYZBDFMSDVQJ-JYJNAYRXSA-N 2 2 326.485 1.220 20 0 EDADLP CCN(CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C)c1 ZINC000583495191 326083033 /nfs/dbraw/zinc/08/30/33/326083033.db2.gz UITOYRKSIAHOQP-WSTZPKSXSA-N 2 2 349.519 1.881 20 0 EDADLP CCN(CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C)c1 ZINC000583495191 326083036 /nfs/dbraw/zinc/08/30/36/326083036.db2.gz UITOYRKSIAHOQP-WSTZPKSXSA-N 2 2 349.519 1.881 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354264417 446059633 /nfs/dbraw/zinc/05/96/33/446059633.db2.gz JSQCXHIMCVORQY-ARFHVFGLSA-N 2 2 348.495 1.527 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354264417 446059640 /nfs/dbraw/zinc/05/96/40/446059640.db2.gz JSQCXHIMCVORQY-ARFHVFGLSA-N 2 2 348.495 1.527 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000583680983 326116680 /nfs/dbraw/zinc/11/66/80/326116680.db2.gz FRDWULSVKKZKJW-SNVBAGLBSA-N 2 2 327.226 1.556 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccccc2Br)[C@H](C[NH3+])C1 ZINC000583680983 326116683 /nfs/dbraw/zinc/11/66/83/326116683.db2.gz FRDWULSVKKZKJW-SNVBAGLBSA-N 2 2 327.226 1.556 20 0 EDADLP Clc1cnc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000583875156 326158517 /nfs/dbraw/zinc/15/85/17/326158517.db2.gz ZEPNAKVJGBPCKH-UHFFFAOYSA-N 2 2 344.290 1.416 20 0 EDADLP C[C@]1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]C1 ZINC000583921678 326166175 /nfs/dbraw/zinc/16/61/75/326166175.db2.gz ZJIKLXYWPCGKBP-SFHVURJKSA-N 2 2 331.464 1.299 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3nc(-c4ccccc4)cs3)CCN2C1=O ZINC000584124360 326205431 /nfs/dbraw/zinc/20/54/31/326205431.db2.gz CNFOTEYRGRVJAO-ZIAGYGMSSA-N 2 2 328.441 1.554 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3nc(-c4ccccc4)cs3)CCN2C1=O ZINC000584124360 326205433 /nfs/dbraw/zinc/20/54/33/326205433.db2.gz CNFOTEYRGRVJAO-ZIAGYGMSSA-N 2 2 328.441 1.554 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]C1 ZINC000584161942 326211073 /nfs/dbraw/zinc/21/10/73/326211073.db2.gz QHXPYUCLJFQCRR-AEFFLSMTSA-N 2 2 346.475 1.359 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000356850558 446069741 /nfs/dbraw/zinc/06/97/41/446069741.db2.gz MEVPLKRRVQWAPS-CVEARBPZSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1[C@H](C)N(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000356850558 446069745 /nfs/dbraw/zinc/06/97/45/446069745.db2.gz MEVPLKRRVQWAPS-CVEARBPZSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(-n2cncn2)cc1 ZINC000366220382 446090127 /nfs/dbraw/zinc/09/01/27/446090127.db2.gz UZMXFKGNVJCWDU-BMGDILEWSA-N 2 2 327.432 1.781 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(-n2cncn2)cc1 ZINC000366220382 446090132 /nfs/dbraw/zinc/09/01/32/446090132.db2.gz UZMXFKGNVJCWDU-BMGDILEWSA-N 2 2 327.432 1.781 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NOCc3ccccc3)C2)CC1 ZINC000369367895 446107574 /nfs/dbraw/zinc/10/75/74/446107574.db2.gz ACAHVAMJOWEBIL-MRXNPFEDSA-N 2 2 332.448 1.586 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NOCc3ccccc3)C2)CC1 ZINC000369367895 446107576 /nfs/dbraw/zinc/10/75/76/446107576.db2.gz ACAHVAMJOWEBIL-MRXNPFEDSA-N 2 2 332.448 1.586 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369372571 446111646 /nfs/dbraw/zinc/11/16/46/446111646.db2.gz KBVUWCAHADJQTL-JFIYKMOQSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369372571 446111650 /nfs/dbraw/zinc/11/16/50/446111650.db2.gz KBVUWCAHADJQTL-JFIYKMOQSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372571 446111653 /nfs/dbraw/zinc/11/16/53/446111653.db2.gz KBVUWCAHADJQTL-JFIYKMOQSA-N 3 2 349.523 1.033 20 0 EDADLP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372571 446111659 /nfs/dbraw/zinc/11/16/59/446111659.db2.gz KBVUWCAHADJQTL-JFIYKMOQSA-N 3 2 349.523 1.033 20 0 EDADLP CNC(=O)CN1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000365275770 446120077 /nfs/dbraw/zinc/12/00/77/446120077.db2.gz PSPLJTVBCNUYKE-UHFFFAOYSA-N 2 2 341.459 1.434 20 0 EDADLP CNC(=O)CN1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000365275770 446120080 /nfs/dbraw/zinc/12/00/80/446120080.db2.gz PSPLJTVBCNUYKE-UHFFFAOYSA-N 2 2 341.459 1.434 20 0 EDADLP CCCc1nc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)no1 ZINC000373256685 446127317 /nfs/dbraw/zinc/12/73/17/446127317.db2.gz RBUVRXGWXBCCPM-UHFFFAOYSA-N 2 2 335.496 1.872 20 0 EDADLP C[C@@H]1CC(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000354376007 446159188 /nfs/dbraw/zinc/15/91/88/446159188.db2.gz AMGLIDBDYRZZIY-HUUCEWRRSA-N 2 2 325.497 1.674 20 0 EDADLP C[C@@H]1CC(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000354376007 446159194 /nfs/dbraw/zinc/15/91/94/446159194.db2.gz AMGLIDBDYRZZIY-HUUCEWRRSA-N 2 2 325.497 1.674 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344680 446165034 /nfs/dbraw/zinc/16/50/34/446165034.db2.gz DPANLLYHGOIKMF-CVEARBPZSA-N 2 2 329.510 1.361 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344680 446165039 /nfs/dbraw/zinc/16/50/39/446165039.db2.gz DPANLLYHGOIKMF-CVEARBPZSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344680 446165044 /nfs/dbraw/zinc/16/50/44/446165044.db2.gz DPANLLYHGOIKMF-CVEARBPZSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000366344680 446165047 /nfs/dbraw/zinc/16/50/47/446165047.db2.gz DPANLLYHGOIKMF-CVEARBPZSA-N 2 2 329.510 1.361 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000365366279 446169945 /nfs/dbraw/zinc/16/99/45/446169945.db2.gz RGYOSDFJUOPXDF-ZIAGYGMSSA-N 2 2 331.464 1.986 20 0 EDADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)ccc2NC1=O ZINC000351575233 446172009 /nfs/dbraw/zinc/17/20/09/446172009.db2.gz RXUFVMCDQDFGAW-VMGRFDJRSA-N 2 2 347.459 1.902 20 0 EDADLP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)ccc2NC1=O ZINC000351575233 446172014 /nfs/dbraw/zinc/17/20/14/446172014.db2.gz RXUFVMCDQDFGAW-VMGRFDJRSA-N 2 2 347.459 1.902 20 0 EDADLP C[C@]1([C@@H]2CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)NC(=O)NC1=O ZINC000362048932 446177681 /nfs/dbraw/zinc/17/76/81/446177681.db2.gz YEBUOBOUTNNIPO-SJKOYZFVSA-N 2 2 327.388 1.144 20 0 EDADLP C[C@]1([C@@H]2CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)NC(=O)NC1=O ZINC000362048932 446177686 /nfs/dbraw/zinc/17/76/86/446177686.db2.gz YEBUOBOUTNNIPO-SJKOYZFVSA-N 2 2 327.388 1.144 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1)C1CC1 ZINC000351592026 446188569 /nfs/dbraw/zinc/18/85/69/446188569.db2.gz IUXTZYFQYDBWMG-SFHVURJKSA-N 2 2 336.451 1.650 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1)C1CC1 ZINC000351592026 446188573 /nfs/dbraw/zinc/18/85/73/446188573.db2.gz IUXTZYFQYDBWMG-SFHVURJKSA-N 2 2 336.451 1.650 20 0 EDADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000365450234 446212770 /nfs/dbraw/zinc/21/27/70/446212770.db2.gz UQPDZQFAKUZQIZ-LJQANCHMSA-N 2 2 343.471 1.584 20 0 EDADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH+](C2CC2)CC1 ZINC000365450234 446212773 /nfs/dbraw/zinc/21/27/73/446212773.db2.gz UQPDZQFAKUZQIZ-LJQANCHMSA-N 2 2 343.471 1.584 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCSc3ccccn3)C2)CC1 ZINC000370329245 446232165 /nfs/dbraw/zinc/23/21/65/446232165.db2.gz BCYPHWWSWWCZKO-OAHLLOKOSA-N 2 2 348.516 1.849 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCSc3ccccn3)C2)CC1 ZINC000370329245 446232168 /nfs/dbraw/zinc/23/21/68/446232168.db2.gz BCYPHWWSWWCZKO-OAHLLOKOSA-N 2 2 348.516 1.849 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCNS(C)(=O)=O)CC1 ZINC000362153806 446239092 /nfs/dbraw/zinc/23/90/92/446239092.db2.gz GYSZYEMOQDZMAR-KRWDZBQOSA-N 2 2 339.505 1.522 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCNS(C)(=O)=O)CC1 ZINC000362153806 446239096 /nfs/dbraw/zinc/23/90/96/446239096.db2.gz GYSZYEMOQDZMAR-KRWDZBQOSA-N 2 2 339.505 1.522 20 0 EDADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](CCNS(C)(=O)=O)CC1 ZINC000362153806 446239100 /nfs/dbraw/zinc/23/91/00/446239100.db2.gz GYSZYEMOQDZMAR-KRWDZBQOSA-N 2 2 339.505 1.522 20 0 EDADLP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)CC1 ZINC000362153806 446239104 /nfs/dbraw/zinc/23/91/04/446239104.db2.gz GYSZYEMOQDZMAR-KRWDZBQOSA-N 2 2 339.505 1.522 20 0 EDADLP CCN(C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000365570332 446258220 /nfs/dbraw/zinc/25/82/20/446258220.db2.gz OHCCZGCUDIIDKG-KRWDZBQOSA-N 2 2 337.508 1.822 20 0 EDADLP CCN(C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000365570332 446258227 /nfs/dbraw/zinc/25/82/27/446258227.db2.gz OHCCZGCUDIIDKG-KRWDZBQOSA-N 2 2 337.508 1.822 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000365578397 446260681 /nfs/dbraw/zinc/26/06/81/446260681.db2.gz OTBJEBSJUVEXDX-UHFFFAOYSA-N 2 2 336.480 1.121 20 0 EDADLP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)CC2 ZINC000373590020 446274395 /nfs/dbraw/zinc/27/43/95/446274395.db2.gz AHKSEDMXEYEYTD-QGZVFWFLSA-N 2 2 335.492 1.717 20 0 EDADLP C[N@H+]1CCCC12CCN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)CC2 ZINC000373590020 446274399 /nfs/dbraw/zinc/27/43/99/446274399.db2.gz AHKSEDMXEYEYTD-QGZVFWFLSA-N 2 2 335.492 1.717 20 0 EDADLP C[NH+]1CCCC12CCN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CC2 ZINC000373590020 446274403 /nfs/dbraw/zinc/27/44/03/446274403.db2.gz AHKSEDMXEYEYTD-QGZVFWFLSA-N 2 2 335.492 1.717 20 0 EDADLP C[NH+]1CCCC12CCN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)CC2 ZINC000373590020 446274405 /nfs/dbraw/zinc/27/44/05/446274405.db2.gz AHKSEDMXEYEYTD-QGZVFWFLSA-N 2 2 335.492 1.717 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H]2OCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000373605679 446278571 /nfs/dbraw/zinc/27/85/71/446278571.db2.gz ZMNVYFGLMJXMBB-IAGOWNOFSA-N 2 2 344.459 1.374 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)C2 ZINC000365685503 446299866 /nfs/dbraw/zinc/29/98/66/446299866.db2.gz GVUOUBMGSVJPSF-SJLPKXTDSA-N 2 2 346.475 1.323 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)C2 ZINC000365685503 446299868 /nfs/dbraw/zinc/29/98/68/446299868.db2.gz GVUOUBMGSVJPSF-SJLPKXTDSA-N 2 2 346.475 1.323 20 0 EDADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)[nH+]1 ZINC000359580753 446302944 /nfs/dbraw/zinc/30/29/44/446302944.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 3 2 347.511 1.969 20 0 EDADLP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)[nH+]1 ZINC000359580753 446302947 /nfs/dbraw/zinc/30/29/47/446302947.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 3 2 347.511 1.969 20 0 EDADLP Cc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000359580753 446302950 /nfs/dbraw/zinc/30/29/50/446302950.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 3 2 347.511 1.969 20 0 EDADLP Cc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000359580753 446302952 /nfs/dbraw/zinc/30/29/52/446302952.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 3 2 347.511 1.969 20 0 EDADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)[nH+]1 ZINC000359580753 446302954 /nfs/dbraw/zinc/30/29/54/446302954.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 3 2 347.511 1.969 20 0 EDADLP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)[nH+]1 ZINC000359580753 446302956 /nfs/dbraw/zinc/30/29/56/446302956.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 3 2 347.511 1.969 20 0 EDADLP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000359580753 446302959 /nfs/dbraw/zinc/30/29/59/446302959.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 3 2 347.511 1.969 20 0 EDADLP Cc1nc(N[C@@H]2CC[NH+](C)[C@@H](C)C2)nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000359580753 446302961 /nfs/dbraw/zinc/30/29/61/446302961.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 3 2 347.511 1.969 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1cc[nH]n1)c1ccccc1 ZINC000370601611 446351947 /nfs/dbraw/zinc/35/19/47/446351947.db2.gz KMOUHEUIANOXJI-QZTJIDSGSA-N 2 2 341.459 1.966 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H](C)O1 ZINC000370605530 446353921 /nfs/dbraw/zinc/35/39/21/446353921.db2.gz AEFULRCSSXNIHQ-HZSPNIEDSA-N 2 2 334.464 1.834 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H](C)O1 ZINC000370605530 446353925 /nfs/dbraw/zinc/35/39/25/446353925.db2.gz AEFULRCSSXNIHQ-HZSPNIEDSA-N 2 2 334.464 1.834 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000376249954 446399676 /nfs/dbraw/zinc/39/96/76/446399676.db2.gz KZVCXMIQSLMNHV-WBVHZDCISA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000370680904 446384688 /nfs/dbraw/zinc/38/46/88/446384688.db2.gz BKOZVWCDFVUZGF-OLMNPRSZSA-N 2 2 329.448 1.349 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000370680904 446384693 /nfs/dbraw/zinc/38/46/93/446384693.db2.gz BKOZVWCDFVUZGF-OLMNPRSZSA-N 2 2 329.448 1.349 20 0 EDADLP [NH3+][C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000417922342 446387109 /nfs/dbraw/zinc/38/71/09/446387109.db2.gz IROWUPANCJRHKV-HZPDHXFCSA-N 2 2 325.416 1.660 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCc3[nH+]ccn32)cc1 ZINC000370692638 446389102 /nfs/dbraw/zinc/38/91/02/446389102.db2.gz YYNKZLBEQKNPFN-OAHLLOKOSA-N 2 2 341.415 1.899 20 0 EDADLP CC[N@H+](CC(=O)N1CCC[C@H]([NH+](C)Cc2noc(C)n2)CC1)C1CC1 ZINC000376243791 446396701 /nfs/dbraw/zinc/39/67/01/446396701.db2.gz HEPSLJCTSHUNRW-HNNXBMFYSA-N 2 2 349.479 1.675 20 0 EDADLP CC[N@@H+](CC(=O)N1CCC[C@H]([NH+](C)Cc2noc(C)n2)CC1)C1CC1 ZINC000376243791 446396705 /nfs/dbraw/zinc/39/67/05/446396705.db2.gz HEPSLJCTSHUNRW-HNNXBMFYSA-N 2 2 349.479 1.675 20 0 EDADLP CC[NH+](CC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)C1CC1 ZINC000376243791 446396711 /nfs/dbraw/zinc/39/67/11/446396711.db2.gz HEPSLJCTSHUNRW-HNNXBMFYSA-N 2 2 349.479 1.675 20 0 EDADLP CC[NH+](CC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)C1CC1 ZINC000376243791 446396716 /nfs/dbraw/zinc/39/67/16/446396716.db2.gz HEPSLJCTSHUNRW-HNNXBMFYSA-N 2 2 349.479 1.675 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417960020 446400898 /nfs/dbraw/zinc/40/08/98/446400898.db2.gz XFEVUWJTZAALOR-BZUAXINKSA-N 2 2 340.418 1.993 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417960020 446400899 /nfs/dbraw/zinc/40/08/99/446400899.db2.gz XFEVUWJTZAALOR-BZUAXINKSA-N 2 2 340.418 1.993 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(NCC(F)(F)C[NH3+])n1 ZINC000420248924 446432314 /nfs/dbraw/zinc/43/23/14/446432314.db2.gz XCMWPZBLQSCLHD-AAEUAGOBSA-N 2 2 329.395 2.098 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000370756144 446417929 /nfs/dbraw/zinc/41/79/29/446417929.db2.gz HJUOKSZJGYASRE-UHFFFAOYSA-N 2 2 334.423 1.957 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c(C)[nH+]1 ZINC000411177836 446418796 /nfs/dbraw/zinc/41/87/96/446418796.db2.gz ZRXMRDMXUKUFLE-LBPRGKRZSA-N 2 2 332.448 1.793 20 0 EDADLP [NH3+]C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000418047476 446424232 /nfs/dbraw/zinc/42/42/32/446424232.db2.gz JEJFFBAHKALWNR-ZDUSSCGKSA-N 2 2 336.867 1.688 20 0 EDADLP [NH3+]C[C@@H]1CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000418047476 446424236 /nfs/dbraw/zinc/42/42/36/446424236.db2.gz JEJFFBAHKALWNR-ZDUSSCGKSA-N 2 2 336.867 1.688 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000370766476 446424584 /nfs/dbraw/zinc/42/45/84/446424584.db2.gz MIBUTVADHHUUAF-UTUOFQBUSA-N 2 2 330.354 1.982 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367020649 446467769 /nfs/dbraw/zinc/46/77/69/446467769.db2.gz NLSSRYDKXGMVNP-IRXDYDNUSA-N 2 2 338.540 1.497 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367020649 446467777 /nfs/dbraw/zinc/46/77/77/446467777.db2.gz NLSSRYDKXGMVNP-IRXDYDNUSA-N 2 2 338.540 1.497 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCc1cccc2cccnc21 ZINC000420308346 446469752 /nfs/dbraw/zinc/46/97/52/446469752.db2.gz CZXJXNFRVCVEEB-MSOLQXFVSA-N 2 2 338.455 1.435 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCc1cccc2cccnc21 ZINC000420308346 446469763 /nfs/dbraw/zinc/46/97/63/446469763.db2.gz CZXJXNFRVCVEEB-MSOLQXFVSA-N 2 2 338.455 1.435 20 0 EDADLP CCOC(=O)CCCCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420306492 446470226 /nfs/dbraw/zinc/47/02/26/446470226.db2.gz LCOBQTSCLFHCLF-HNNXBMFYSA-N 2 2 325.453 1.006 20 0 EDADLP CCOC(=O)CCCCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420306492 446470230 /nfs/dbraw/zinc/47/02/30/446470230.db2.gz LCOBQTSCLFHCLF-HNNXBMFYSA-N 2 2 325.453 1.006 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000420307827 446470731 /nfs/dbraw/zinc/47/07/31/446470731.db2.gz MTFZZZNQJRESSJ-FQUUOJAGSA-N 2 2 333.432 1.658 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000420307827 446470733 /nfs/dbraw/zinc/47/07/33/446470733.db2.gz MTFZZZNQJRESSJ-FQUUOJAGSA-N 2 2 333.432 1.658 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000420311867 446475849 /nfs/dbraw/zinc/47/58/49/446475849.db2.gz IBUACZPCYTYWEU-JKSUJKDBSA-N 2 2 345.443 1.124 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000420311867 446475859 /nfs/dbraw/zinc/47/58/59/446475859.db2.gz IBUACZPCYTYWEU-JKSUJKDBSA-N 2 2 345.443 1.124 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c(C)c[nH+]1 ZINC000367033225 446477797 /nfs/dbraw/zinc/47/77/97/446477797.db2.gz JRIVQQUVSPMXJO-MRXNPFEDSA-N 2 2 332.448 1.696 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n2)c(OC)c1 ZINC000420314305 446477800 /nfs/dbraw/zinc/47/78/00/446477800.db2.gz VNKVEHLRJBURNY-TUKIKUTGSA-N 2 2 344.415 1.923 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n2)c(OC)c1 ZINC000420314305 446477809 /nfs/dbraw/zinc/47/78/09/446477809.db2.gz VNKVEHLRJBURNY-TUKIKUTGSA-N 2 2 344.415 1.923 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000420315349 446480451 /nfs/dbraw/zinc/48/04/51/446480451.db2.gz LXDGQIMFMMPGRM-ROUUACIJSA-N 3 2 332.492 1.609 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000420315349 446480455 /nfs/dbraw/zinc/48/04/55/446480455.db2.gz LXDGQIMFMMPGRM-ROUUACIJSA-N 3 2 332.492 1.609 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000420317583 446483252 /nfs/dbraw/zinc/48/32/52/446483252.db2.gz ZMRRRZWGYRZSKB-BPUTZDHNSA-N 2 2 331.416 1.471 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000420317583 446483258 /nfs/dbraw/zinc/48/32/58/446483258.db2.gz ZMRRRZWGYRZSKB-BPUTZDHNSA-N 2 2 331.416 1.471 20 0 EDADLP C[NH2+]CCCNC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418282152 446483333 /nfs/dbraw/zinc/48/33/33/446483333.db2.gz WTNFWBBLANGIIP-IRXDYDNUSA-N 2 2 334.464 1.309 20 0 EDADLP C[NH2+]CCCNC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418282152 446483338 /nfs/dbraw/zinc/48/33/38/446483338.db2.gz WTNFWBBLANGIIP-IRXDYDNUSA-N 2 2 334.464 1.309 20 0 EDADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC[NH2+]CCOC)cc1 ZINC000423317329 446486805 /nfs/dbraw/zinc/48/68/05/446486805.db2.gz ARPMNSMVLZCKPO-ZDUSSCGKSA-N 2 2 329.466 1.335 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(C)[nH+]1 ZINC000411358914 446505332 /nfs/dbraw/zinc/50/53/32/446505332.db2.gz QKDNPQFUELTMJS-GJZGRUSLSA-N 2 2 330.432 1.498 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c(C)[nH+]1 ZINC000411358914 446505342 /nfs/dbraw/zinc/50/53/42/446505342.db2.gz QKDNPQFUELTMJS-GJZGRUSLSA-N 2 2 330.432 1.498 20 0 EDADLP C[C@H]1CCC[C@@](CNC(=O)C2([NH+]3CCOCC3)CCC2)([NH+](C)C)C1 ZINC000367535648 446559051 /nfs/dbraw/zinc/55/90/51/446559051.db2.gz KFXXUAMIFYMISR-FUHWJXTLSA-N 2 2 337.508 1.868 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+](C)CCC[NH2+]C ZINC000420386307 446560047 /nfs/dbraw/zinc/56/00/47/446560047.db2.gz IBJLEUBYWWMNNI-HNNXBMFYSA-N 2 2 335.448 1.216 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+](C)CCC[NH2+]C ZINC000420386307 446560056 /nfs/dbraw/zinc/56/00/56/446560056.db2.gz IBJLEUBYWWMNNI-HNNXBMFYSA-N 2 2 335.448 1.216 20 0 EDADLP Brc1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C2 ZINC000423526702 446563157 /nfs/dbraw/zinc/56/31/57/446563157.db2.gz QPYDTIPFNLHHNC-GJZGRUSLSA-N 2 2 325.250 1.884 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423401444 446517643 /nfs/dbraw/zinc/51/76/43/446517643.db2.gz QWKSSSBWPBJEFF-XEZPLFJOSA-N 2 2 325.478 1.728 20 0 EDADLP COC[C@]1(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)CCC[NH2+]1 ZINC000423416061 446524892 /nfs/dbraw/zinc/52/48/92/446524892.db2.gz PYQUQLCOOFXTLR-YSIASYRMSA-N 2 2 347.503 1.807 20 0 EDADLP COC[C@]1(CN[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000423416061 446524900 /nfs/dbraw/zinc/52/49/00/446524900.db2.gz PYQUQLCOOFXTLR-YSIASYRMSA-N 2 2 347.503 1.807 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)C12CCOCC2 ZINC000375080564 446567011 /nfs/dbraw/zinc/56/70/11/446567011.db2.gz WZNHCVAWQWBMLK-XWTMOSNGSA-N 2 2 338.492 1.804 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)C12CCOCC2 ZINC000375080564 446567017 /nfs/dbraw/zinc/56/70/17/446567017.db2.gz WZNHCVAWQWBMLK-XWTMOSNGSA-N 2 2 338.492 1.804 20 0 EDADLP Clc1ccc(-n2cc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)nn2)cc1 ZINC000420351360 446529495 /nfs/dbraw/zinc/52/94/95/446529495.db2.gz WRCSMZFLLJNCQD-QGZVFWFLSA-N 2 2 346.866 1.400 20 0 EDADLP Clc1ccc(-n2cc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)nn2)cc1 ZINC000420351360 446529502 /nfs/dbraw/zinc/52/95/02/446529502.db2.gz WRCSMZFLLJNCQD-QGZVFWFLSA-N 2 2 346.866 1.400 20 0 EDADLP CCCCNc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000367265115 446530280 /nfs/dbraw/zinc/53/02/80/446530280.db2.gz SDIXNYBMTHQESA-CQSZACIVSA-N 2 2 334.468 1.358 20 0 EDADLP CCCCNc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]c(N)n1 ZINC000367265115 446530287 /nfs/dbraw/zinc/53/02/87/446530287.db2.gz SDIXNYBMTHQESA-CQSZACIVSA-N 2 2 334.468 1.358 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420360033 446540098 /nfs/dbraw/zinc/54/00/98/446540098.db2.gz GSGTWFRHLAUZGN-UIBIWLFHSA-N 2 2 333.476 1.855 20 0 EDADLP Cc1ccc(NC(=O)N2CC[NH+](CCOCC[NH3+])CC2)cc1Cl ZINC000420361189 446541203 /nfs/dbraw/zinc/54/12/03/446541203.db2.gz MWOQOXFMKAANTC-UHFFFAOYSA-N 2 2 340.855 1.773 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420364785 446544611 /nfs/dbraw/zinc/54/46/11/446544611.db2.gz IRPHZIAWSXXSMU-IBGZPJMESA-N 2 2 331.460 1.525 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420364785 446544617 /nfs/dbraw/zinc/54/46/17/446544617.db2.gz IRPHZIAWSXXSMU-IBGZPJMESA-N 2 2 331.460 1.525 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000418447856 446546067 /nfs/dbraw/zinc/54/60/67/446546067.db2.gz PWLILTYDPZIGAF-CVEARBPZSA-N 2 2 326.485 1.400 20 0 EDADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420391509 446567735 /nfs/dbraw/zinc/56/77/35/446567735.db2.gz OJBYUXXUWGSECL-BBRMVZONSA-N 2 2 339.867 1.909 20 0 EDADLP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420391509 446567743 /nfs/dbraw/zinc/56/77/43/446567743.db2.gz OJBYUXXUWGSECL-BBRMVZONSA-N 2 2 339.867 1.909 20 0 EDADLP [NH3+]C[C@@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)C1CCCCC1 ZINC000420369828 446547694 /nfs/dbraw/zinc/54/76/94/446547694.db2.gz OOOZLHFUUBAIIS-QGZVFWFLSA-N 2 2 337.439 1.818 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423465929 446548688 /nfs/dbraw/zinc/54/86/88/446548688.db2.gz ICOCHBBRJLJAHZ-CQSZACIVSA-N 2 2 335.452 1.025 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420377197 446554248 /nfs/dbraw/zinc/55/42/48/446554248.db2.gz PLZFVVCWVVTDEN-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420377197 446554254 /nfs/dbraw/zinc/55/42/54/446554254.db2.gz PLZFVVCWVVTDEN-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000418622915 446620198 /nfs/dbraw/zinc/62/01/98/446620198.db2.gz VQFMUECNQLTNQV-GJZGRUSLSA-N 2 2 334.464 1.648 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)N[C@@H](C)C[NH3+])[C@@H](C)C1 ZINC000418622915 446620201 /nfs/dbraw/zinc/62/02/01/446620201.db2.gz VQFMUECNQLTNQV-GJZGRUSLSA-N 2 2 334.464 1.648 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c(C)[nH+]1 ZINC000411493353 446568821 /nfs/dbraw/zinc/56/88/21/446568821.db2.gz RHUGDJJEPDEEMX-UHFFFAOYSA-N 2 2 332.448 1.890 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000423560641 446574168 /nfs/dbraw/zinc/57/41/68/446574168.db2.gz VIXQMXUBUAOIQY-BBRMVZONSA-N 2 2 347.459 1.176 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000423560641 446574176 /nfs/dbraw/zinc/57/41/76/446574176.db2.gz VIXQMXUBUAOIQY-BBRMVZONSA-N 2 2 347.459 1.176 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413143 446585992 /nfs/dbraw/zinc/58/59/92/446585992.db2.gz ZWIVLJKYFJDYOF-PBHICJAKSA-N 2 2 345.443 1.876 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413143 446586000 /nfs/dbraw/zinc/58/60/00/446586000.db2.gz ZWIVLJKYFJDYOF-PBHICJAKSA-N 2 2 345.443 1.876 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418560804 446594724 /nfs/dbraw/zinc/59/47/24/446594724.db2.gz QJKUINNGRPOIKP-PVAVHDDUSA-N 2 2 334.464 1.437 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418560804 446594731 /nfs/dbraw/zinc/59/47/31/446594731.db2.gz QJKUINNGRPOIKP-PVAVHDDUSA-N 2 2 334.464 1.437 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418595597 446608162 /nfs/dbraw/zinc/60/81/62/446608162.db2.gz AZBSXYXOVMRYIY-MRXNPFEDSA-N 2 2 334.464 1.391 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc[nH+]1 ZINC000371129376 446644218 /nfs/dbraw/zinc/64/42/18/446644218.db2.gz LQDFXBWALMMJJI-HOTGVXAUSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@@H]1CCCN1c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]cn1 ZINC000371129376 446644225 /nfs/dbraw/zinc/64/42/25/446644225.db2.gz LQDFXBWALMMJJI-HOTGVXAUSA-N 2 2 347.463 1.103 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000423701411 446649159 /nfs/dbraw/zinc/64/91/59/446649159.db2.gz VRQIJUCLSKYPLH-HNNXBMFYSA-N 2 2 348.397 1.835 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(C)(C)n1cncn1 ZINC000368126133 446656296 /nfs/dbraw/zinc/65/62/96/446656296.db2.gz OWMQIXQMROAKBB-ZMSDIMECSA-N 2 2 345.495 1.808 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(C)(C)n1cncn1 ZINC000368126133 446656303 /nfs/dbraw/zinc/65/63/03/446656303.db2.gz OWMQIXQMROAKBB-ZMSDIMECSA-N 2 2 345.495 1.808 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000423726355 446661407 /nfs/dbraw/zinc/66/14/07/446661407.db2.gz JNPPDOBWGGIMHV-HZPDHXFCSA-N 2 2 339.480 1.110 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000423726355 446661412 /nfs/dbraw/zinc/66/14/12/446661412.db2.gz JNPPDOBWGGIMHV-HZPDHXFCSA-N 2 2 339.480 1.110 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](C3CC3)C(F)(F)F)C2)CC1 ZINC000376706279 446665588 /nfs/dbraw/zinc/66/55/88/446665588.db2.gz JBPMQGCKJYPXRK-OCCSQVGLSA-N 2 2 348.413 1.795 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](C3CC3)C(F)(F)F)C2)CC1 ZINC000376706279 446665590 /nfs/dbraw/zinc/66/55/90/446665590.db2.gz JBPMQGCKJYPXRK-OCCSQVGLSA-N 2 2 348.413 1.795 20 0 EDADLP C[NH+](C)C1(CNc2nc(N[C@H]3CCCOC3)cc[nH+]2)CCOCC1 ZINC000435348428 446694315 /nfs/dbraw/zinc/69/43/15/446694315.db2.gz CDJSVEWIAFMBDF-AWEZNQCLSA-N 2 2 335.452 1.590 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371220485 446697639 /nfs/dbraw/zinc/69/76/39/446697639.db2.gz QXSYXUKEWAVMNB-IXDOHACOSA-N 2 2 345.491 1.245 20 0 EDADLP [NH3+][C@@H](CC(=O)NC[C@@]1([NH+]2CCOCC2)CCCOC1)c1ccccc1 ZINC000371282025 446738771 /nfs/dbraw/zinc/73/87/71/446738771.db2.gz XQPBDCVJUFCUDK-HKUYNNGSSA-N 2 2 347.459 1.074 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000368193869 446700510 /nfs/dbraw/zinc/70/05/10/446700510.db2.gz FXVPJCMXGDJGHU-CQSZACIVSA-N 2 2 335.452 1.067 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000368193869 446700516 /nfs/dbraw/zinc/70/05/16/446700516.db2.gz FXVPJCMXGDJGHU-CQSZACIVSA-N 2 2 335.452 1.067 20 0 EDADLP C[C@H](C(=O)OC(C)(C)C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000411905066 446713784 /nfs/dbraw/zinc/71/37/84/446713784.db2.gz MOXDEELMXPPAMM-CQSZACIVSA-N 2 2 339.480 1.345 20 0 EDADLP C[C@H](C(=O)OC(C)(C)C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000411905066 446713790 /nfs/dbraw/zinc/71/37/90/446713790.db2.gz MOXDEELMXPPAMM-CQSZACIVSA-N 2 2 339.480 1.345 20 0 EDADLP CN(C)C(=O)C1([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000411916584 446733349 /nfs/dbraw/zinc/73/33/49/446733349.db2.gz VZEQMDJHNXYDDJ-UHFFFAOYSA-N 2 2 330.476 1.409 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)cs1 ZINC000423751709 446682012 /nfs/dbraw/zinc/68/20/12/446682012.db2.gz FUMQQMPTRAVWIY-XJKSGUPXSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)cs1 ZINC000423751709 446682018 /nfs/dbraw/zinc/68/20/18/446682018.db2.gz FUMQQMPTRAVWIY-XJKSGUPXSA-N 2 2 336.505 1.874 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1)NCc1cccnc1 ZINC000371195011 446684146 /nfs/dbraw/zinc/68/41/46/446684146.db2.gz HNSWLCQJBAJUPG-SFHVURJKSA-N 2 2 330.476 1.896 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1)NCc1cccnc1 ZINC000371195011 446684150 /nfs/dbraw/zinc/68/41/50/446684150.db2.gz HNSWLCQJBAJUPG-SFHVURJKSA-N 2 2 330.476 1.896 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371291979 446748320 /nfs/dbraw/zinc/74/83/20/446748320.db2.gz ALICRJNXWTXDTF-OWCLPIDISA-N 2 2 332.510 1.383 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371291979 446748326 /nfs/dbraw/zinc/74/83/26/446748326.db2.gz ALICRJNXWTXDTF-OWCLPIDISA-N 2 2 332.510 1.383 20 0 EDADLP CN(C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000371295295 446753113 /nfs/dbraw/zinc/75/31/13/446753113.db2.gz QIHVUPATASNECA-RCCFBDPRSA-N 2 2 331.460 1.833 20 0 EDADLP CN(C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000371295295 446753119 /nfs/dbraw/zinc/75/31/19/446753119.db2.gz QIHVUPATASNECA-RCCFBDPRSA-N 2 2 331.460 1.833 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371301073 446757736 /nfs/dbraw/zinc/75/77/36/446757736.db2.gz DALRWVBOHWWPAP-DLBZAZTESA-N 2 2 345.553 1.158 20 0 EDADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371301073 446757745 /nfs/dbraw/zinc/75/77/45/446757745.db2.gz DALRWVBOHWWPAP-DLBZAZTESA-N 2 2 345.553 1.158 20 0 EDADLP CN(Cc1nnc(-c2ccco2)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371305256 446759818 /nfs/dbraw/zinc/75/98/18/446759818.db2.gz MBSZLEHCFVTEGF-OAHLLOKOSA-N 2 2 345.447 1.930 20 0 EDADLP CN(Cc1nnc(-c2ccco2)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371305256 446759828 /nfs/dbraw/zinc/75/98/28/446759828.db2.gz MBSZLEHCFVTEGF-OAHLLOKOSA-N 2 2 345.447 1.930 20 0 EDADLP C[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371305256 446759836 /nfs/dbraw/zinc/75/98/36/446759836.db2.gz MBSZLEHCFVTEGF-OAHLLOKOSA-N 2 2 345.447 1.930 20 0 EDADLP C[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371305256 446759842 /nfs/dbraw/zinc/75/98/42/446759842.db2.gz MBSZLEHCFVTEGF-OAHLLOKOSA-N 2 2 345.447 1.930 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000423909773 446760011 /nfs/dbraw/zinc/76/00/11/446760011.db2.gz DTDGJGZMQHNIHY-DZKIICNBSA-N 2 2 338.427 1.462 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000423909773 446760017 /nfs/dbraw/zinc/76/00/17/446760017.db2.gz DTDGJGZMQHNIHY-DZKIICNBSA-N 2 2 338.427 1.462 20 0 EDADLP Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376863333 446761833 /nfs/dbraw/zinc/76/18/33/446761833.db2.gz BOAJTELEQQSQHW-KBPBESRZSA-N 2 2 347.507 1.757 20 0 EDADLP Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376863333 446761840 /nfs/dbraw/zinc/76/18/40/446761840.db2.gz BOAJTELEQQSQHW-KBPBESRZSA-N 2 2 347.507 1.757 20 0 EDADLP C[C@@H](O)c1cnc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000368293153 446764145 /nfs/dbraw/zinc/76/41/45/446764145.db2.gz VUIHBZFBKVLQFE-UONOGXRCSA-N 2 2 338.521 1.797 20 0 EDADLP C[C@@H](O)c1cnc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000368293153 446764149 /nfs/dbraw/zinc/76/41/49/446764149.db2.gz VUIHBZFBKVLQFE-UONOGXRCSA-N 2 2 338.521 1.797 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+]1CCCC1 ZINC000368304309 446771410 /nfs/dbraw/zinc/77/14/10/446771410.db2.gz LSVKSXHEYGBQPR-SJORKVTESA-N 2 2 338.496 1.269 20 0 EDADLP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+]1CCCC1 ZINC000368304309 446771416 /nfs/dbraw/zinc/77/14/16/446771416.db2.gz LSVKSXHEYGBQPR-SJORKVTESA-N 2 2 338.496 1.269 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923590 446772990 /nfs/dbraw/zinc/77/29/90/446772990.db2.gz CKMNAAPICOKCCM-CABCVRRESA-N 2 2 332.448 1.517 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)C1([NH3+])CCCC1 ZINC000423923811 446773430 /nfs/dbraw/zinc/77/34/30/446773430.db2.gz YBYXTCBKPFOUPJ-GJZGRUSLSA-N 2 2 337.443 1.062 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)C1([NH3+])CCCC1 ZINC000423923811 446773441 /nfs/dbraw/zinc/77/34/41/446773441.db2.gz YBYXTCBKPFOUPJ-GJZGRUSLSA-N 2 2 337.443 1.062 20 0 EDADLP CCC[N@H+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000437932798 446775547 /nfs/dbraw/zinc/77/55/47/446775547.db2.gz NSISVARMNJFSSI-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000437932798 446775552 /nfs/dbraw/zinc/77/55/52/446775552.db2.gz NSISVARMNJFSSI-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CCC[NH+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437932798 446775556 /nfs/dbraw/zinc/77/55/56/446775556.db2.gz NSISVARMNJFSSI-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CCC[NH+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437932798 446775561 /nfs/dbraw/zinc/77/55/61/446775561.db2.gz NSISVARMNJFSSI-MSOLQXFVSA-N 2 2 331.460 1.440 20 0 EDADLP CCOC(=O)c1coc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000418894353 446779589 /nfs/dbraw/zinc/77/95/89/446779589.db2.gz BCDCQKIRIWSOHK-CYBMUJFWSA-N 2 2 336.436 1.456 20 0 EDADLP CCOC(=O)c1coc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000418894353 446779593 /nfs/dbraw/zinc/77/95/93/446779593.db2.gz BCDCQKIRIWSOHK-CYBMUJFWSA-N 2 2 336.436 1.456 20 0 EDADLP O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423929970 446782202 /nfs/dbraw/zinc/78/22/02/446782202.db2.gz NFJCHNYZJPWPFJ-HUUCEWRRSA-N 2 2 330.432 1.271 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)ccc1F ZINC000376941456 446811971 /nfs/dbraw/zinc/81/19/71/446811971.db2.gz PBNWZRCEJOLQMV-AWEZNQCLSA-N 2 2 330.407 1.963 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)CCO2)CC1 ZINC000371382755 446820893 /nfs/dbraw/zinc/82/08/93/446820893.db2.gz KWRKRPQDGVUCLG-MRXNPFEDSA-N 2 2 335.496 1.155 20 0 EDADLP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000424038850 446828877 /nfs/dbraw/zinc/82/88/77/446828877.db2.gz JCPXPGBYMVIIHB-ROUUACIJSA-N 2 2 349.519 1.724 20 0 EDADLP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000424038850 446828885 /nfs/dbraw/zinc/82/88/85/446828885.db2.gz JCPXPGBYMVIIHB-ROUUACIJSA-N 2 2 349.519 1.724 20 0 EDADLP COc1ccc([C@H](C)C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371424101 446846111 /nfs/dbraw/zinc/84/61/11/446846111.db2.gz GCKSNRSYEXHSFI-XLIONFOSSA-N 2 2 347.503 1.747 20 0 EDADLP COc1ccc([C@H](C)C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371424101 446846125 /nfs/dbraw/zinc/84/61/25/446846125.db2.gz GCKSNRSYEXHSFI-XLIONFOSSA-N 2 2 347.503 1.747 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)CC1 ZINC000412044628 446806702 /nfs/dbraw/zinc/80/67/02/446806702.db2.gz OWYQOXDELQFAGM-APWZRJJASA-N 2 2 345.487 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H](O)C2)CC1 ZINC000412044628 446806708 /nfs/dbraw/zinc/80/67/08/446806708.db2.gz OWYQOXDELQFAGM-APWZRJJASA-N 2 2 345.487 1.342 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1ccccc1 ZINC000418994322 446853346 /nfs/dbraw/zinc/85/33/46/446853346.db2.gz BMOFYPMEJGMPMV-QGZVFWFLSA-N 2 2 346.475 1.230 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1ccccc1 ZINC000418994322 446853349 /nfs/dbraw/zinc/85/33/49/446853349.db2.gz BMOFYPMEJGMPMV-QGZVFWFLSA-N 2 2 346.475 1.230 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC34CC[NH+](C)CC4)cn2)CC1 ZINC000375511471 446862298 /nfs/dbraw/zinc/86/22/98/446862298.db2.gz OVXZSUOHOJBAAO-UHFFFAOYSA-N 3 2 344.507 1.289 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC34CC[NH+](C)CC4)cn2)CC1 ZINC000375511471 446862305 /nfs/dbraw/zinc/86/23/05/446862305.db2.gz OVXZSUOHOJBAAO-UHFFFAOYSA-N 3 2 344.507 1.289 20 0 EDADLP CSCCONC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368447809 446868268 /nfs/dbraw/zinc/86/82/68/446868268.db2.gz VNOHZJXYAUIVHC-CQSZACIVSA-N 2 2 330.498 1.091 20 0 EDADLP CSCCONC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368447809 446868273 /nfs/dbraw/zinc/86/82/73/446868273.db2.gz VNOHZJXYAUIVHC-CQSZACIVSA-N 2 2 330.498 1.091 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4CC[N@@H+](C)[C@H]4C3)cn21 ZINC000371471148 446878067 /nfs/dbraw/zinc/87/80/67/446878067.db2.gz RLGBUCRPCFCIEZ-ZBFHGGJFSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4CC[N@H+](C)[C@H]4C3)cn21 ZINC000371471148 446878074 /nfs/dbraw/zinc/87/80/74/446878074.db2.gz RLGBUCRPCFCIEZ-ZBFHGGJFSA-N 2 2 327.432 1.878 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C(N)=O)C1 ZINC000420923556 446891761 /nfs/dbraw/zinc/89/17/61/446891761.db2.gz QNIGZOIQALFLDV-MAUKXSAKSA-N 2 2 331.460 1.605 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C(N)=O)C1 ZINC000420923556 446891765 /nfs/dbraw/zinc/89/17/65/446891765.db2.gz QNIGZOIQALFLDV-MAUKXSAKSA-N 2 2 331.460 1.605 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)NCC[N@H+](C)C1CC1)C1CCOCC1 ZINC000375558603 446892835 /nfs/dbraw/zinc/89/28/35/446892835.db2.gz ALRRACNJRHRRLP-MRXNPFEDSA-N 2 2 349.479 1.764 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)NCC[N@@H+](C)C1CC1)C1CCOCC1 ZINC000375558603 446892839 /nfs/dbraw/zinc/89/28/39/446892839.db2.gz ALRRACNJRHRRLP-MRXNPFEDSA-N 2 2 349.479 1.764 20 0 EDADLP OCC[N@H+](Cc1cccnc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420932078 446904924 /nfs/dbraw/zinc/90/49/24/446904924.db2.gz HDVSGRCDOUOOLY-UHFFFAOYSA-N 2 2 341.455 1.908 20 0 EDADLP OCC[N@@H+](Cc1cccnc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420932078 446904931 /nfs/dbraw/zinc/90/49/31/446904931.db2.gz HDVSGRCDOUOOLY-UHFFFAOYSA-N 2 2 341.455 1.908 20 0 EDADLP OC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000420931720 446905470 /nfs/dbraw/zinc/90/54/70/446905470.db2.gz GVNMVQNYFCVEAT-IBGZPJMESA-N 2 2 334.460 1.396 20 0 EDADLP NC(=O)C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000368503698 446905639 /nfs/dbraw/zinc/90/56/39/446905639.db2.gz MOQJEEKZBHIJJK-GOSISDBHSA-N 2 2 331.460 1.475 20 0 EDADLP NC(=O)C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000368503698 446905647 /nfs/dbraw/zinc/90/56/47/446905647.db2.gz MOQJEEKZBHIJJK-GOSISDBHSA-N 2 2 331.460 1.475 20 0 EDADLP O=C1CCCN1[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420934625 446906891 /nfs/dbraw/zinc/90/68/91/446906891.db2.gz JJBGTCQUSUJVPI-LJQANCHMSA-N 2 2 343.471 1.716 20 0 EDADLP O=C1CCCN1[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420934625 446906895 /nfs/dbraw/zinc/90/68/95/446906895.db2.gz JJBGTCQUSUJVPI-LJQANCHMSA-N 2 2 343.471 1.716 20 0 EDADLP c1cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)ccc1C[NH+]1CCOCC1 ZINC000420963800 446934125 /nfs/dbraw/zinc/93/41/25/446934125.db2.gz MXQZSHYHNBRKLT-VQTJNVASSA-N 2 2 346.471 1.899 20 0 EDADLP c1cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)ccc1C[NH+]1CCOCC1 ZINC000420963800 446934130 /nfs/dbraw/zinc/93/41/30/446934130.db2.gz MXQZSHYHNBRKLT-VQTJNVASSA-N 2 2 346.471 1.899 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000442754598 446952415 /nfs/dbraw/zinc/95/24/15/446952415.db2.gz BFPAVTKPBDNXCY-GJZGRUSLSA-N 3 2 336.505 1.061 20 0 EDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000442754598 446952419 /nfs/dbraw/zinc/95/24/19/446952419.db2.gz BFPAVTKPBDNXCY-GJZGRUSLSA-N 3 2 336.505 1.061 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000442762417 446955189 /nfs/dbraw/zinc/95/51/89/446955189.db2.gz HFTNHSJGMUDMMR-OLZOCXBDSA-N 2 2 327.450 1.233 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000442762417 446955195 /nfs/dbraw/zinc/95/51/95/446955195.db2.gz HFTNHSJGMUDMMR-OLZOCXBDSA-N 2 2 327.450 1.233 20 0 EDADLP C[C@@H]1CN(Cc2cnc(N(C)C)nc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368586069 446959260 /nfs/dbraw/zinc/95/92/60/446959260.db2.gz WGQLAOIYTLTGPS-OAHLLOKOSA-N 2 2 332.496 1.143 20 0 EDADLP C[C@@H]1CN(Cc2cnc(N(C)C)nc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368586069 446959265 /nfs/dbraw/zinc/95/92/65/446959265.db2.gz WGQLAOIYTLTGPS-OAHLLOKOSA-N 2 2 332.496 1.143 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CCN1C1CC[NH+](C)CC1 ZINC000368586069 446959270 /nfs/dbraw/zinc/95/92/70/446959270.db2.gz WGQLAOIYTLTGPS-OAHLLOKOSA-N 2 2 332.496 1.143 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)CCN1C1CC[NH+](C)CC1 ZINC000368586069 446959277 /nfs/dbraw/zinc/95/92/77/446959277.db2.gz WGQLAOIYTLTGPS-OAHLLOKOSA-N 2 2 332.496 1.143 20 0 EDADLP C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442781669 446965895 /nfs/dbraw/zinc/96/58/95/446965895.db2.gz NFIJNTXBMONQLN-QXULXFAOSA-N 2 2 345.443 1.157 20 0 EDADLP C[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442781669 446965902 /nfs/dbraw/zinc/96/59/02/446965902.db2.gz NFIJNTXBMONQLN-QXULXFAOSA-N 2 2 345.443 1.157 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)n1 ZINC000372115710 447009777 /nfs/dbraw/zinc/00/97/77/447009777.db2.gz IWRZBMCDPRILAE-KRWDZBQOSA-N 2 2 342.491 2.260 20 0 EDADLP C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000421030817 447000978 /nfs/dbraw/zinc/00/09/78/447000978.db2.gz YBWDAPMMHBXVNB-WMZOPIPTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@H]1CC[C@H](O)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000421030817 447000982 /nfs/dbraw/zinc/00/09/82/447000982.db2.gz YBWDAPMMHBXVNB-WMZOPIPTSA-N 2 2 331.460 1.176 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)nc[nH+]1 ZINC000413211594 447071627 /nfs/dbraw/zinc/07/16/27/447071627.db2.gz WRYLPABYSPKBRV-ZIAGYGMSSA-N 2 2 330.436 1.462 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)[nH+]cn1 ZINC000413211594 447071633 /nfs/dbraw/zinc/07/16/33/447071633.db2.gz WRYLPABYSPKBRV-ZIAGYGMSSA-N 2 2 330.436 1.462 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc[nH+]1 ZINC000413202365 447065923 /nfs/dbraw/zinc/06/59/23/447065923.db2.gz MDMLYDKDDZZFDR-OFQRWUPVSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc[nH+]1 ZINC000413202365 447065929 /nfs/dbraw/zinc/06/59/29/447065929.db2.gz MDMLYDKDDZZFDR-OFQRWUPVSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH+]cn1 ZINC000413202365 447065937 /nfs/dbraw/zinc/06/59/37/447065937.db2.gz MDMLYDKDDZZFDR-OFQRWUPVSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@H](O)CNc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH+]cn1 ZINC000413202365 447065940 /nfs/dbraw/zinc/06/59/40/447065940.db2.gz MDMLYDKDDZZFDR-OFQRWUPVSA-N 2 2 331.464 1.722 20 0 EDADLP Cc1cc[nH+]c(N2CCN(c3cc(NC[C@H](C)O)[nH+]cn3)CC2)c1 ZINC000413202890 447066185 /nfs/dbraw/zinc/06/61/85/447066185.db2.gz OOOANYITPXUFSQ-AWEZNQCLSA-N 2 2 328.420 1.299 20 0 EDADLP Cc1cc[nH+]c(N2CCN(c3cc(NC[C@H](C)O)nc[nH+]3)CC2)c1 ZINC000413202890 447066192 /nfs/dbraw/zinc/06/61/92/447066192.db2.gz OOOANYITPXUFSQ-AWEZNQCLSA-N 2 2 328.420 1.299 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)on1 ZINC000372477626 447075735 /nfs/dbraw/zinc/07/57/35/447075735.db2.gz HWUWEOBQHNZLDT-AEGPPILISA-N 2 2 336.436 1.401 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)on1 ZINC000372477626 447075742 /nfs/dbraw/zinc/07/57/42/447075742.db2.gz HWUWEOBQHNZLDT-AEGPPILISA-N 2 2 336.436 1.401 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000375816665 447077409 /nfs/dbraw/zinc/07/74/09/447077409.db2.gz UALSFGQMGNXAFW-CQSZACIVSA-N 2 2 345.447 1.241 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000375816665 447077411 /nfs/dbraw/zinc/07/74/11/447077411.db2.gz UALSFGQMGNXAFW-CQSZACIVSA-N 2 2 345.447 1.241 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CCCCC[NH2+]1 ZINC000372496459 447089502 /nfs/dbraw/zinc/08/95/02/447089502.db2.gz LVYHQSDLLFQUHK-MSOLQXFVSA-N 2 2 331.460 1.708 20 0 EDADLP Cc1c(CCC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cnn1C ZINC000377372031 447095736 /nfs/dbraw/zinc/09/57/36/447095736.db2.gz GETPTEODSKYWKD-OAHLLOKOSA-N 2 2 347.507 1.288 20 0 EDADLP Cc1c(CCC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cnn1C ZINC000377372031 447095740 /nfs/dbraw/zinc/09/57/40/447095740.db2.gz GETPTEODSKYWKD-OAHLLOKOSA-N 2 2 347.507 1.288 20 0 EDADLP COC(=O)c1occc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902829 447135391 /nfs/dbraw/zinc/13/53/91/447135391.db2.gz NSEIPPKZKNCTIR-INIZCTEOSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1occc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902829 447135396 /nfs/dbraw/zinc/13/53/96/447135396.db2.gz NSEIPPKZKNCTIR-INIZCTEOSA-N 2 2 335.448 1.667 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@H]3C(C)(C)O)C2)CC1 ZINC000368822179 447136093 /nfs/dbraw/zinc/13/60/93/447136093.db2.gz KCFKPDXLUPVLTP-ZBFHGGJFSA-N 2 2 338.496 1.100 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@H]3C(C)(C)O)C2)CC1 ZINC000368822179 447136099 /nfs/dbraw/zinc/13/60/99/447136099.db2.gz KCFKPDXLUPVLTP-ZBFHGGJFSA-N 2 2 338.496 1.100 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](n4cncn4)C3)c2cc1C ZINC000368862709 447166813 /nfs/dbraw/zinc/16/68/13/447166813.db2.gz KFCLCMLDSVLSAH-HOTGVXAUSA-N 2 2 340.431 1.553 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](n4cncn4)C3)c2cc1C ZINC000368862709 447166816 /nfs/dbraw/zinc/16/68/16/447166816.db2.gz KFCLCMLDSVLSAH-HOTGVXAUSA-N 2 2 340.431 1.553 20 0 EDADLP C[N@H+](CCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000455601859 447180780 /nfs/dbraw/zinc/18/07/80/447180780.db2.gz DCUULASITAGLEE-UHFFFAOYSA-N 2 2 331.464 1.788 20 0 EDADLP C[N@@H+](CCCCNC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000455601859 447180785 /nfs/dbraw/zinc/18/07/85/447180785.db2.gz DCUULASITAGLEE-UHFFFAOYSA-N 2 2 331.464 1.788 20 0 EDADLP CON(C)C(=O)CC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377526797 447182073 /nfs/dbraw/zinc/18/20/73/447182073.db2.gz GWXFMMVKNKKZAB-UHFFFAOYSA-N 2 2 334.464 1.430 20 0 EDADLP CON(C)C(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377526797 447182079 /nfs/dbraw/zinc/18/20/79/447182079.db2.gz GWXFMMVKNKKZAB-UHFFFAOYSA-N 2 2 334.464 1.430 20 0 EDADLP CN(C(=O)NCc1ccncc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924637 447205589 /nfs/dbraw/zinc/20/55/89/447205589.db2.gz MPFIELCDGHKXPL-KRWDZBQOSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C(=O)NCc1ccncc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924637 447205591 /nfs/dbraw/zinc/20/55/91/447205591.db2.gz MPFIELCDGHKXPL-KRWDZBQOSA-N 2 2 331.464 1.392 20 0 EDADLP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000377624599 447253095 /nfs/dbraw/zinc/25/30/95/447253095.db2.gz KWDAFAMRYDORSY-INIZCTEOSA-N 2 2 332.496 1.002 20 0 EDADLP CN(C)c1ncc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cn1 ZINC000377624599 447253098 /nfs/dbraw/zinc/25/30/98/447253098.db2.gz KWDAFAMRYDORSY-INIZCTEOSA-N 2 2 332.496 1.002 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)[C@@H](C)O1 ZINC000446071204 447227373 /nfs/dbraw/zinc/22/73/73/447227373.db2.gz IPFRELLJVSBGFZ-KYHPRHEASA-N 2 2 333.476 1.903 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)[C@@H](C)O1 ZINC000446071204 447227379 /nfs/dbraw/zinc/22/73/79/447227379.db2.gz IPFRELLJVSBGFZ-KYHPRHEASA-N 2 2 333.476 1.903 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000455823077 447236232 /nfs/dbraw/zinc/23/62/32/447236232.db2.gz QMZLWTXLUFBYRJ-HNNXBMFYSA-N 2 2 341.908 1.895 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000455823077 447236239 /nfs/dbraw/zinc/23/62/39/447236239.db2.gz QMZLWTXLUFBYRJ-HNNXBMFYSA-N 2 2 341.908 1.895 20 0 EDADLP O=C(CC[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000372795659 447288964 /nfs/dbraw/zinc/28/89/64/447288964.db2.gz AIJRVUTUFHGWQQ-VQIMIIECSA-N 2 2 344.459 1.277 20 0 EDADLP Cc1cnn(C)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000377690537 447297558 /nfs/dbraw/zinc/29/75/58/447297558.db2.gz CWMXFXKBDJRLMM-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000377690537 447297560 /nfs/dbraw/zinc/29/75/60/447297560.db2.gz CWMXFXKBDJRLMM-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000377690537 447297564 /nfs/dbraw/zinc/29/75/64/447297564.db2.gz CWMXFXKBDJRLMM-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1cnn(C)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000377690537 447297568 /nfs/dbraw/zinc/29/75/68/447297568.db2.gz CWMXFXKBDJRLMM-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377637978 447264485 /nfs/dbraw/zinc/26/44/85/447264485.db2.gz XFPJNNCAFMYESU-KRWDZBQOSA-N 2 2 347.507 1.879 20 0 EDADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377637978 447264491 /nfs/dbraw/zinc/26/44/91/447264491.db2.gz XFPJNNCAFMYESU-KRWDZBQOSA-N 2 2 347.507 1.879 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000377657691 447277422 /nfs/dbraw/zinc/27/74/22/447277422.db2.gz VHVRNXOSTBODLE-CRAIPNDOSA-N 2 2 343.487 1.672 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[NH+]1CCOCC1 ZINC000377657691 447277424 /nfs/dbraw/zinc/27/74/24/447277424.db2.gz VHVRNXOSTBODLE-CRAIPNDOSA-N 2 2 343.487 1.672 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419853234 447452049 /nfs/dbraw/zinc/45/20/49/447452049.db2.gz DTLKWVFQGMUULW-CABCVRRESA-N 2 2 347.463 1.072 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Cn1cccn1 ZINC000379645697 447454312 /nfs/dbraw/zinc/45/43/12/447454312.db2.gz IGDPBXNMKJZNMV-RBUKOAKNSA-N 2 2 328.460 1.888 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)Cn1cccn1 ZINC000379645697 447454320 /nfs/dbraw/zinc/45/43/20/447454320.db2.gz IGDPBXNMKJZNMV-RBUKOAKNSA-N 2 2 328.460 1.888 20 0 EDADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000382028089 447462611 /nfs/dbraw/zinc/46/26/11/447462611.db2.gz BZFBMPNXRCUNBB-LSDHHAIUSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000382028089 447462614 /nfs/dbraw/zinc/46/26/14/447462614.db2.gz BZFBMPNXRCUNBB-LSDHHAIUSA-N 2 2 328.501 1.515 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390718408 447496259 /nfs/dbraw/zinc/49/62/59/447496259.db2.gz YSERPZXXUMCGHT-RBUKOAKNSA-N 3 2 335.492 1.621 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390718408 447496264 /nfs/dbraw/zinc/49/62/64/447496264.db2.gz YSERPZXXUMCGHT-RBUKOAKNSA-N 3 2 335.492 1.621 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390947687 447508642 /nfs/dbraw/zinc/50/86/42/447508642.db2.gz PJGNBWUUZPPYFI-OAHLLOKOSA-N 2 2 343.431 1.770 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390947687 447508645 /nfs/dbraw/zinc/50/86/45/447508645.db2.gz PJGNBWUUZPPYFI-OAHLLOKOSA-N 2 2 343.431 1.770 20 0 EDADLP COc1c(N)nc[nH+]c1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390947687 447508646 /nfs/dbraw/zinc/50/86/46/447508646.db2.gz PJGNBWUUZPPYFI-OAHLLOKOSA-N 2 2 343.431 1.770 20 0 EDADLP COc1c(N)nc[nH+]c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390947687 447508650 /nfs/dbraw/zinc/50/86/50/447508650.db2.gz PJGNBWUUZPPYFI-OAHLLOKOSA-N 2 2 343.431 1.770 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000391865686 447518525 /nfs/dbraw/zinc/51/85/25/447518525.db2.gz ZWWKFUXPNRWUEG-GDBMZVCRSA-N 2 2 336.480 1.609 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000391865686 447518529 /nfs/dbraw/zinc/51/85/29/447518529.db2.gz ZWWKFUXPNRWUEG-GDBMZVCRSA-N 2 2 336.480 1.609 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000450798281 447580403 /nfs/dbraw/zinc/58/04/03/447580403.db2.gz YPBDTSCBHWQFDW-HRCADAONSA-N 2 2 347.463 1.103 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000450798281 447580409 /nfs/dbraw/zinc/58/04/09/447580409.db2.gz YPBDTSCBHWQFDW-HRCADAONSA-N 2 2 347.463 1.103 20 0 EDADLP CCO[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000459151052 447597124 /nfs/dbraw/zinc/59/71/24/447597124.db2.gz GOFYXIFQJKCZPP-YQQAZPJKSA-N 2 2 338.496 1.364 20 0 EDADLP CCO[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000459151052 447597127 /nfs/dbraw/zinc/59/71/27/447597127.db2.gz GOFYXIFQJKCZPP-YQQAZPJKSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000416828528 447693191 /nfs/dbraw/zinc/69/31/91/447693191.db2.gz MFOQDXOXSMCLAA-PBHICJAKSA-N 2 2 338.427 1.760 20 0 EDADLP C[C@H](C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)CS(C)(=O)=O ZINC000451032386 447655972 /nfs/dbraw/zinc/65/59/72/447655972.db2.gz YUYSGYQTMZOAQM-ZIAGYGMSSA-N 2 2 341.477 1.281 20 0 EDADLP C[C@H](C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1)CS(C)(=O)=O ZINC000451032386 447655976 /nfs/dbraw/zinc/65/59/76/447655976.db2.gz YUYSGYQTMZOAQM-ZIAGYGMSSA-N 2 2 341.477 1.281 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cnc(C)cn2)nc[nH+]1 ZINC000427843063 447660609 /nfs/dbraw/zinc/66/06/09/447660609.db2.gz ROLQITDBLIRVFB-KGLIPLIRSA-N 2 2 327.436 1.936 20 0 EDADLP CC(C)Cc1nnc(NC(=O)C[N@H+](C)CCc2c[nH+]cn2C)s1 ZINC000459451024 447671060 /nfs/dbraw/zinc/67/10/60/447671060.db2.gz VASHKNQHOPQIKI-UHFFFAOYSA-N 2 2 336.465 1.583 20 0 EDADLP CC(C)Cc1nnc(NC(=O)C[N@@H+](C)CCc2c[nH+]cn2C)s1 ZINC000459451024 447671069 /nfs/dbraw/zinc/67/10/69/447671069.db2.gz VASHKNQHOPQIKI-UHFFFAOYSA-N 2 2 336.465 1.583 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422626031 447675227 /nfs/dbraw/zinc/67/52/27/447675227.db2.gz DCKKVKLXBSUHCQ-QLFBSQMISA-N 2 2 340.489 1.774 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422626031 447675233 /nfs/dbraw/zinc/67/52/33/447675233.db2.gz DCKKVKLXBSUHCQ-QLFBSQMISA-N 2 2 340.489 1.774 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422631497 447679180 /nfs/dbraw/zinc/67/91/80/447679180.db2.gz FPNWOFXJRLTNAZ-NFAWXSAZSA-N 2 2 332.448 1.889 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422631497 447679185 /nfs/dbraw/zinc/67/91/85/447679185.db2.gz FPNWOFXJRLTNAZ-NFAWXSAZSA-N 2 2 332.448 1.889 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)c1ccco1 ZINC000458071404 447713647 /nfs/dbraw/zinc/71/36/47/447713647.db2.gz NKSRZHIOFIRDOZ-OAHLLOKOSA-N 2 2 333.436 1.938 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422712848 447723656 /nfs/dbraw/zinc/72/36/56/447723656.db2.gz OPOMDVUBLAKMHU-YLJYHZDGSA-N 3 2 346.519 1.291 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000422712848 447723661 /nfs/dbraw/zinc/72/36/61/447723661.db2.gz OPOMDVUBLAKMHU-YLJYHZDGSA-N 3 2 346.519 1.291 20 0 EDADLP COc1ccc(CCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000422724725 447730072 /nfs/dbraw/zinc/73/00/72/447730072.db2.gz WLHBWDICRWEZAJ-RBUKOAKNSA-N 2 2 334.460 1.993 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)cn2)CC1 ZINC000459704705 447745877 /nfs/dbraw/zinc/74/58/77/447745877.db2.gz HVCZYVLUTQHXBS-SJORKVTESA-N 2 2 343.475 1.229 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC4(CCC4)[C@@H]4COC[C@@H]43)cn2)CC1 ZINC000459704705 447745878 /nfs/dbraw/zinc/74/58/78/447745878.db2.gz HVCZYVLUTQHXBS-SJORKVTESA-N 2 2 343.475 1.229 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000422838324 447765439 /nfs/dbraw/zinc/76/54/39/447765439.db2.gz ODTCQMGOVBHPHP-XGXHKWSGSA-N 2 2 345.487 1.780 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000422838324 447765443 /nfs/dbraw/zinc/76/54/43/447765443.db2.gz ODTCQMGOVBHPHP-XGXHKWSGSA-N 2 2 345.487 1.780 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](C(CC)CC)[NH+]1CCCC1 ZINC000422821382 447759131 /nfs/dbraw/zinc/75/91/31/447759131.db2.gz VWDXUGJTYXAAHB-BRWVUGGUSA-N 2 2 325.497 1.770 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000458273541 447759352 /nfs/dbraw/zinc/75/93/52/447759352.db2.gz IQYWKVQOLZTUCK-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000458273541 447759354 /nfs/dbraw/zinc/75/93/54/447759354.db2.gz IQYWKVQOLZTUCK-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000458273541 447759359 /nfs/dbraw/zinc/75/93/59/447759359.db2.gz IQYWKVQOLZTUCK-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000458273541 447759360 /nfs/dbraw/zinc/75/93/60/447759360.db2.gz IQYWKVQOLZTUCK-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422846563 447767908 /nfs/dbraw/zinc/76/79/08/447767908.db2.gz QCJSPSDBCVEAFT-QRQLOZEOSA-N 2 2 345.487 1.577 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000422936163 447776003 /nfs/dbraw/zinc/77/60/03/447776003.db2.gz FAVUGPSIUAWIPY-GVDBMIGSSA-N 2 2 347.459 1.330 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)c(C)c1 ZINC000430550142 447776070 /nfs/dbraw/zinc/77/60/70/447776070.db2.gz JNZDCEXUWAILRQ-LJQANCHMSA-N 2 2 348.491 1.630 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000430560626 447780037 /nfs/dbraw/zinc/78/00/37/447780037.db2.gz WVFCKSMBFOOUCW-WMZOPIPTSA-N 2 2 335.423 1.443 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NC[C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000430593156 447782643 /nfs/dbraw/zinc/78/26/43/447782643.db2.gz DOTRSCYMYABUBM-HNAYVOBHSA-N 2 2 330.476 1.346 20 0 EDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422981779 447787086 /nfs/dbraw/zinc/78/70/86/447787086.db2.gz UHGCKNPVVZVMMJ-LXKKFAQKSA-N 3 2 329.488 1.742 20 0 EDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422981779 447787089 /nfs/dbraw/zinc/78/70/89/447787089.db2.gz UHGCKNPVVZVMMJ-LXKKFAQKSA-N 3 2 329.488 1.742 20 0 EDADLP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000423046289 447797216 /nfs/dbraw/zinc/79/72/16/447797216.db2.gz TYIYAUISRFKAJE-ZFWWWQNUSA-N 2 2 326.462 1.337 20 0 EDADLP CC[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000423093059 447803436 /nfs/dbraw/zinc/80/34/36/447803436.db2.gz FOFUTMDQFXXYNI-HOTGVXAUSA-N 2 2 343.468 1.566 20 0 EDADLP C[C@@H](CNc1nc(NC[C@H](C)C[NH+](C)C)c(Cl)c[nH+]1)C[NH+](C)C ZINC000489021192 447851387 /nfs/dbraw/zinc/85/13/87/447851387.db2.gz VBBWZZZNGGAYBA-STQMWFEESA-N 3 2 342.919 1.193 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523098029 447872502 /nfs/dbraw/zinc/87/25/02/447872502.db2.gz JRQCJXPAXCLKKM-UHFFFAOYSA-N 2 2 337.387 1.168 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000550305944 447890380 /nfs/dbraw/zinc/89/03/80/447890380.db2.gz LZIZQIBWAHFIIC-ZBFHGGJFSA-N 2 2 345.491 1.897 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000550305944 447890387 /nfs/dbraw/zinc/89/03/87/447890387.db2.gz LZIZQIBWAHFIIC-ZBFHGGJFSA-N 2 2 345.491 1.897 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496821280 447941668 /nfs/dbraw/zinc/94/16/68/447941668.db2.gz PSKRLTYMMZYJRD-IAGOWNOFSA-N 2 2 341.496 1.822 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496821280 447941674 /nfs/dbraw/zinc/94/16/74/447941674.db2.gz PSKRLTYMMZYJRD-IAGOWNOFSA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496821280 447941679 /nfs/dbraw/zinc/94/16/79/447941679.db2.gz PSKRLTYMMZYJRD-IAGOWNOFSA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496821280 447941681 /nfs/dbraw/zinc/94/16/81/447941681.db2.gz PSKRLTYMMZYJRD-IAGOWNOFSA-N 2 2 341.496 1.822 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)NCCCCn2cc[nH+]c2)CCCO1 ZINC000569917241 447915364 /nfs/dbraw/zinc/91/53/64/447915364.db2.gz LOGDNJHOLVJBKF-INIZCTEOSA-N 2 2 337.468 1.463 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)NCCCCn2cc[nH+]c2)CCCO1 ZINC000569917241 447915372 /nfs/dbraw/zinc/91/53/72/447915372.db2.gz LOGDNJHOLVJBKF-INIZCTEOSA-N 2 2 337.468 1.463 20 0 EDADLP CCN1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000525982390 448071782 /nfs/dbraw/zinc/07/17/82/448071782.db2.gz PRJVVDDJINALLK-HUUCEWRRSA-N 2 2 334.468 1.140 20 0 EDADLP CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000525982390 448071788 /nfs/dbraw/zinc/07/17/88/448071788.db2.gz PRJVVDDJINALLK-HUUCEWRRSA-N 2 2 334.468 1.140 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC(N[C@H](c2[nH]cc[nH+]2)c2cccnc2)CC1 ZINC000526075092 448094522 /nfs/dbraw/zinc/09/45/22/448094522.db2.gz JDLRTDVODSCMDR-KSZLIROESA-N 2 2 341.459 1.862 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCc2c(cccc2N2CCOC2=O)C1)C1CC1 ZINC000497316178 448068060 /nfs/dbraw/zinc/06/80/60/448068060.db2.gz RVSOBVQFAPRQKQ-INIZCTEOSA-N 2 2 345.443 1.456 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCc2c(cccc2N2CCOC2=O)C1)C1CC1 ZINC000497316178 448068062 /nfs/dbraw/zinc/06/80/62/448068062.db2.gz RVSOBVQFAPRQKQ-INIZCTEOSA-N 2 2 345.443 1.456 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1)C1CC1 ZINC000497316178 448068067 /nfs/dbraw/zinc/06/80/67/448068067.db2.gz RVSOBVQFAPRQKQ-INIZCTEOSA-N 2 2 345.443 1.456 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1)C1CC1 ZINC000497316178 448068068 /nfs/dbraw/zinc/06/80/68/448068068.db2.gz RVSOBVQFAPRQKQ-INIZCTEOSA-N 2 2 345.443 1.456 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000531836437 448156118 /nfs/dbraw/zinc/15/61/18/448156118.db2.gz HQBUDAYIMWWKMK-PMPSAXMXSA-N 2 2 332.448 1.940 20 0 EDADLP CC(C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000531836437 448156122 /nfs/dbraw/zinc/15/61/22/448156122.db2.gz HQBUDAYIMWWKMK-PMPSAXMXSA-N 2 2 332.448 1.940 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N[C@H](CO)C[NH+]3CCCCC3)cc2n1C ZINC000571293731 448130184 /nfs/dbraw/zinc/13/01/84/448130184.db2.gz NWUBRKQQCNJVCC-HNNXBMFYSA-N 2 2 330.432 1.458 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000526990416 448132863 /nfs/dbraw/zinc/13/28/63/448132863.db2.gz QMNYSWMTOGMFNX-MAUKXSAKSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000526990416 448132868 /nfs/dbraw/zinc/13/28/68/448132868.db2.gz QMNYSWMTOGMFNX-MAUKXSAKSA-N 2 2 328.416 1.956 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000497065345 448170217 /nfs/dbraw/zinc/17/02/17/448170217.db2.gz QLYPGILDFLBVCG-JKSUJKDBSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000497065345 448170220 /nfs/dbraw/zinc/17/02/20/448170220.db2.gz QLYPGILDFLBVCG-JKSUJKDBSA-N 2 2 341.496 1.822 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+]CCOc1ncccc1C(F)(F)F)C1CC1 ZINC000576935809 448173524 /nfs/dbraw/zinc/17/35/24/448173524.db2.gz CWUKEFZDUFEHPF-GFCCVEGCSA-N 2 2 333.354 1.524 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]CCOc1ncccc1C(F)(F)F)C1CC1 ZINC000576935809 448173529 /nfs/dbraw/zinc/17/35/29/448173529.db2.gz CWUKEFZDUFEHPF-GFCCVEGCSA-N 2 2 333.354 1.524 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H](CO)CC2CCCCC2)C[C@@H](C)O1 ZINC000576992411 448187931 /nfs/dbraw/zinc/18/79/31/448187931.db2.gz MBXAXFAOCQNOPK-JOCBIADPSA-N 2 2 328.497 1.377 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)cc2n1C ZINC000527283437 448201438 /nfs/dbraw/zinc/20/14/38/448201438.db2.gz BIQRNQYZFVOGBL-INIZCTEOSA-N 2 2 344.459 1.968 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)cc2n1C ZINC000527283437 448201442 /nfs/dbraw/zinc/20/14/42/448201442.db2.gz BIQRNQYZFVOGBL-INIZCTEOSA-N 2 2 344.459 1.968 20 0 EDADLP COc1c(N)[nH+]cnc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000571820521 448212588 /nfs/dbraw/zinc/21/25/88/448212588.db2.gz FQUXIZYWSISRDZ-UHFFFAOYSA-N 2 2 343.431 2.154 20 0 EDADLP COc1c(N)nc[nH+]c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000571820521 448212594 /nfs/dbraw/zinc/21/25/94/448212594.db2.gz FQUXIZYWSISRDZ-UHFFFAOYSA-N 2 2 343.431 2.154 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000577177323 448226766 /nfs/dbraw/zinc/22/67/66/448226766.db2.gz RAOLFSKGJWEXNP-DKEAGERHSA-N 2 2 343.471 1.765 20 0 EDADLP C[NH+]1CCN(c2ncccc2CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000591160893 448276068 /nfs/dbraw/zinc/27/60/68/448276068.db2.gz XQDFJADSKLZFSZ-UHFFFAOYSA-N 2 2 342.447 1.127 20 0 EDADLP Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572009658 448261615 /nfs/dbraw/zinc/26/16/15/448261615.db2.gz SPEZUESFGYBPRP-OAHLLOKOSA-N 2 2 347.463 1.240 20 0 EDADLP Cc1cc(C(=O)NC(C)C)ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572009658 448261619 /nfs/dbraw/zinc/26/16/19/448261619.db2.gz SPEZUESFGYBPRP-OAHLLOKOSA-N 2 2 347.463 1.240 20 0 EDADLP C[NH+]1CCN(CCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000577319555 448264464 /nfs/dbraw/zinc/26/44/64/448264464.db2.gz WIQYLNWSRBWMPY-UHFFFAOYSA-N 3 2 331.508 1.273 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000577474443 448306256 /nfs/dbraw/zinc/30/62/56/448306256.db2.gz DTPPNEXBHHVVSV-RYUDHWBXSA-N 2 2 333.823 1.739 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000492853213 448313092 /nfs/dbraw/zinc/31/30/92/448313092.db2.gz BDKFFEMTGYUVCH-KJPDOMRESA-N 2 2 332.448 1.487 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@]3(CC[N@@H+](C)C3)C1)CCC2 ZINC000577566749 448326042 /nfs/dbraw/zinc/32/60/42/448326042.db2.gz LHUQOXBVLXBWKE-YJBOKZPZSA-N 2 2 331.464 1.806 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@]3(CC[N@H+](C)C3)C1)CCC2 ZINC000577566749 448326047 /nfs/dbraw/zinc/32/60/47/448326047.db2.gz LHUQOXBVLXBWKE-YJBOKZPZSA-N 2 2 331.464 1.806 20 0 EDADLP CSCc1cc(F)ccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582715627 448318714 /nfs/dbraw/zinc/31/87/14/448318714.db2.gz YSWNKECKZMFWLX-HNNXBMFYSA-N 2 2 340.468 1.473 20 0 EDADLP CSCc1cc(F)ccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582715627 448318720 /nfs/dbraw/zinc/31/87/20/448318720.db2.gz YSWNKECKZMFWLX-HNNXBMFYSA-N 2 2 340.468 1.473 20 0 EDADLP C[C@@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)[C@@H](C)[NH+]1CCOCC1 ZINC000591589206 448397079 /nfs/dbraw/zinc/39/70/79/448397079.db2.gz VBJKZCQXYVECBN-ZIAGYGMSSA-N 2 2 335.452 1.128 20 0 EDADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000583015579 448402614 /nfs/dbraw/zinc/40/26/14/448402614.db2.gz WXYMCMANCPBSES-HNNXBMFYSA-N 2 2 347.463 1.311 20 0 EDADLP CCOc1c(Cl)cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000583025427 448406007 /nfs/dbraw/zinc/40/60/07/448406007.db2.gz YIZGRTNGMOYZSO-CYBMUJFWSA-N 2 2 327.856 1.822 20 0 EDADLP CCOc1c(Cl)cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000583025427 448406013 /nfs/dbraw/zinc/40/60/13/448406013.db2.gz YIZGRTNGMOYZSO-CYBMUJFWSA-N 2 2 327.856 1.822 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCC(=O)c1cccs1 ZINC000533484245 448410563 /nfs/dbraw/zinc/41/05/63/448410563.db2.gz AJWMCEPBHKYHAD-UHFFFAOYSA-N 2 2 332.429 1.650 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[C@@H](C)O1 ZINC000577741738 448374065 /nfs/dbraw/zinc/37/40/65/448374065.db2.gz YZOIPJYQKXNFDP-HHARLNAUSA-N 2 2 344.521 1.101 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000493187061 448378477 /nfs/dbraw/zinc/37/84/77/448378477.db2.gz LVOBMKANGXBSMK-FMFIFOJESA-N 2 2 325.359 1.403 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000493187061 448378483 /nfs/dbraw/zinc/37/84/83/448378483.db2.gz LVOBMKANGXBSMK-FMFIFOJESA-N 2 2 325.359 1.403 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000566231178 448422816 /nfs/dbraw/zinc/42/28/16/448422816.db2.gz LYWLESIFSSUEET-LSDHHAIUSA-N 2 2 328.478 1.062 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000566231178 448422823 /nfs/dbraw/zinc/42/28/23/448422823.db2.gz LYWLESIFSSUEET-LSDHHAIUSA-N 2 2 328.478 1.062 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000578019380 448443734 /nfs/dbraw/zinc/44/37/34/448443734.db2.gz VFYLZLMKIRXABI-MRXNPFEDSA-N 2 2 333.476 1.700 20 0 EDADLP C[N@H+](C[C@H](O)CC1(O)CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000528395774 448511920 /nfs/dbraw/zinc/51/19/20/448511920.db2.gz DQLSGSJCYSJKLO-LJQANCHMSA-N 2 2 347.503 1.686 20 0 EDADLP C[N@@H+](C[C@H](O)CC1(O)CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000528395774 448511926 /nfs/dbraw/zinc/51/19/26/448511926.db2.gz DQLSGSJCYSJKLO-LJQANCHMSA-N 2 2 347.503 1.686 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc2c(c1)OCO2 ZINC000591868389 448513851 /nfs/dbraw/zinc/51/38/51/448513851.db2.gz ZBVHIJARFZZTKO-CQSZACIVSA-N 2 2 328.372 1.887 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc2c(c1)OCO2 ZINC000591868389 448513855 /nfs/dbraw/zinc/51/38/55/448513855.db2.gz ZBVHIJARFZZTKO-CQSZACIVSA-N 2 2 328.372 1.887 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000517025517 448526705 /nfs/dbraw/zinc/52/67/05/448526705.db2.gz WAWIZQCVWKANOH-HZPDHXFCSA-N 2 2 345.409 1.444 20 0 EDADLP C[C@H]1C[N@H+](Cc2cc(CO)ccc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000528434253 448527823 /nfs/dbraw/zinc/52/78/23/448527823.db2.gz WMWIPXRKADFPRB-KXBFYZLASA-N 2 2 335.467 1.776 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cc(CO)ccc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000528434253 448527828 /nfs/dbraw/zinc/52/78/28/448527828.db2.gz WMWIPXRKADFPRB-KXBFYZLASA-N 2 2 335.467 1.776 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)C[N@H+]1CCc2ccccc2C1 ZINC000517236028 448559597 /nfs/dbraw/zinc/55/95/97/448559597.db2.gz GPKIFHLDVJJWTI-SESVDKBCSA-N 2 2 338.451 1.654 20 0 EDADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000517331256 448571850 /nfs/dbraw/zinc/57/18/50/448571850.db2.gz GQPFQWPKBZUFEZ-INIZCTEOSA-N 2 2 348.495 1.122 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000578425122 448540811 /nfs/dbraw/zinc/54/08/11/448540811.db2.gz KLTHTHSNGQRNRI-NJAFHUGGSA-N 2 2 346.475 1.266 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[C@@H]1[NH3+] ZINC000578425122 448540819 /nfs/dbraw/zinc/54/08/19/448540819.db2.gz KLTHTHSNGQRNRI-NJAFHUGGSA-N 2 2 346.475 1.266 20 0 EDADLP Fc1ccc(-c2nnc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000573355233 448606956 /nfs/dbraw/zinc/60/69/56/448606956.db2.gz HSVBAQBFWJTYQQ-HRCADAONSA-N 2 2 345.422 1.858 20 0 EDADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567146968 448624127 /nfs/dbraw/zinc/62/41/27/448624127.db2.gz DIYWAPUGLPHTEQ-HIFRSBDPSA-N 2 2 334.464 1.886 20 0 EDADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567146968 448624131 /nfs/dbraw/zinc/62/41/31/448624131.db2.gz DIYWAPUGLPHTEQ-HIFRSBDPSA-N 2 2 334.464 1.886 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C[C@H]1C ZINC000578569517 448580996 /nfs/dbraw/zinc/58/09/96/448580996.db2.gz OPFPEQHZVJXMJI-HIFRSBDPSA-N 2 2 335.452 1.233 20 0 EDADLP COCC[N@H+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C[C@H]1C ZINC000578569517 448581003 /nfs/dbraw/zinc/58/10/03/448581003.db2.gz OPFPEQHZVJXMJI-HIFRSBDPSA-N 2 2 335.452 1.233 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000578587518 448583380 /nfs/dbraw/zinc/58/33/80/448583380.db2.gz HBNPHERTHRNDIE-HUUCEWRRSA-N 2 2 348.447 1.206 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000528561336 448589544 /nfs/dbraw/zinc/58/95/44/448589544.db2.gz QJHAWCHXPHVKRG-LJIGWXMPSA-N 2 2 325.497 1.530 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528561336 448589548 /nfs/dbraw/zinc/58/95/48/448589548.db2.gz QJHAWCHXPHVKRG-LJIGWXMPSA-N 2 2 325.497 1.530 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H]1C ZINC000573435755 448625419 /nfs/dbraw/zinc/62/54/19/448625419.db2.gz PQUWBTKCDZDIQI-CHWSQXEVSA-N 2 2 329.404 1.214 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H]1C ZINC000573435755 448625420 /nfs/dbraw/zinc/62/54/20/448625420.db2.gz PQUWBTKCDZDIQI-CHWSQXEVSA-N 2 2 329.404 1.214 20 0 EDADLP COc1c(C)cc(Cl)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000528705389 448637877 /nfs/dbraw/zinc/63/78/77/448637877.db2.gz QVOAFQZAHDJVSF-GFCCVEGCSA-N 2 2 326.828 1.764 20 0 EDADLP COc1c(C)cc(Cl)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000528705389 448637883 /nfs/dbraw/zinc/63/78/83/448637883.db2.gz QVOAFQZAHDJVSF-GFCCVEGCSA-N 2 2 326.828 1.764 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000518068615 448643189 /nfs/dbraw/zinc/64/31/89/448643189.db2.gz RMLWJRCYGIHDQU-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP CC1CCC(O)(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000584781589 448629747 /nfs/dbraw/zinc/62/97/47/448629747.db2.gz IVFGPKAOKBEKLZ-NQKNOSNGSA-N 2 2 332.488 1.936 20 0 EDADLP CC1CCC(O)(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000584781589 448629754 /nfs/dbraw/zinc/62/97/54/448629754.db2.gz IVFGPKAOKBEKLZ-NQKNOSNGSA-N 2 2 332.488 1.936 20 0 EDADLP C[NH+]1CCN(CCCCNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000573687438 448690913 /nfs/dbraw/zinc/69/09/13/448690913.db2.gz HVUQIPGOCLOYKA-GOSISDBHSA-N 2 2 330.476 1.017 20 0 EDADLP Cn1nc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000528787120 448678488 /nfs/dbraw/zinc/67/84/88/448678488.db2.gz WCLMYWFTRSWXHI-UHFFFAOYSA-N 2 2 329.448 1.329 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC000567682872 448737237 /nfs/dbraw/zinc/73/72/37/448737237.db2.gz ATSXMNWNOKKKLE-IIYDPXPESA-N 2 2 328.403 1.567 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC000567682872 448737242 /nfs/dbraw/zinc/73/72/42/448737242.db2.gz ATSXMNWNOKKKLE-IIYDPXPESA-N 2 2 328.403 1.567 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000519576942 448788098 /nfs/dbraw/zinc/78/80/98/448788098.db2.gz ILLFIKZTMSPGBM-WMLDXEAASA-N 2 2 341.459 1.955 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000519576942 448788102 /nfs/dbraw/zinc/78/81/02/448788102.db2.gz ILLFIKZTMSPGBM-WMLDXEAASA-N 2 2 341.459 1.955 20 0 EDADLP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000579467246 448800681 /nfs/dbraw/zinc/80/06/81/448800681.db2.gz AHDJKDCGRSITPL-HIFRSBDPSA-N 2 2 328.420 1.551 20 0 EDADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519690628 448819678 /nfs/dbraw/zinc/81/96/78/448819678.db2.gz HFLGRJZPQJFCFJ-IIYDPXPESA-N 2 2 334.439 1.733 20 0 EDADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519690628 448819685 /nfs/dbraw/zinc/81/96/85/448819685.db2.gz HFLGRJZPQJFCFJ-IIYDPXPESA-N 2 2 334.439 1.733 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000574277711 448833771 /nfs/dbraw/zinc/83/37/71/448833771.db2.gz SDJWGXHHLDAZGJ-SJORKVTESA-N 2 2 326.868 1.680 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000574277711 448833775 /nfs/dbraw/zinc/83/37/75/448833775.db2.gz SDJWGXHHLDAZGJ-SJORKVTESA-N 2 2 326.868 1.680 20 0 EDADLP CCN1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000529353267 448837416 /nfs/dbraw/zinc/83/74/16/448837416.db2.gz GOWKHFBZPATNBF-KBPBESRZSA-N 2 2 332.452 1.083 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000574336156 448848560 /nfs/dbraw/zinc/84/85/60/448848560.db2.gz KBDJIWYPOKGNTM-WCQYABFASA-N 2 2 346.269 1.434 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000574336156 448848564 /nfs/dbraw/zinc/84/85/64/448848564.db2.gz KBDJIWYPOKGNTM-WCQYABFASA-N 2 2 346.269 1.434 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471202 448851692 /nfs/dbraw/zinc/85/16/92/448851692.db2.gz JCXFJJZVFSHLAD-INIZCTEOSA-N 2 2 337.464 1.147 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471202 448851696 /nfs/dbraw/zinc/85/16/96/448851696.db2.gz JCXFJJZVFSHLAD-INIZCTEOSA-N 2 2 337.464 1.147 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000519821311 448852193 /nfs/dbraw/zinc/85/21/93/448852193.db2.gz FIUFQIGQYXRJSL-NXEZZACHSA-N 2 2 346.294 1.715 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(Br)s1 ZINC000519821311 448852197 /nfs/dbraw/zinc/85/21/97/448852197.db2.gz FIUFQIGQYXRJSL-NXEZZACHSA-N 2 2 346.294 1.715 20 0 EDADLP C[C@H](c1cccc(NC[C@H](O)C[NH+]2CCOCC2)c1)[NH+]1CCOCC1 ZINC000520220241 448872282 /nfs/dbraw/zinc/87/22/82/448872282.db2.gz WMWCBRZEYVUQNQ-APWZRJJASA-N 2 2 349.475 1.185 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000520227300 448873483 /nfs/dbraw/zinc/87/34/83/448873483.db2.gz PRGCKPMEDJFWJB-UHFFFAOYSA-N 2 2 329.448 1.595 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000520227300 448873495 /nfs/dbraw/zinc/87/34/95/448873495.db2.gz PRGCKPMEDJFWJB-UHFFFAOYSA-N 2 2 329.448 1.595 20 0 EDADLP Cn1c2cc(F)ccc2[nH+]c1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000520484827 448902184 /nfs/dbraw/zinc/90/21/84/448902184.db2.gz WSWFNGKHAYWCOM-UHFFFAOYSA-N 2 2 341.390 2.556 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000568863986 448929328 /nfs/dbraw/zinc/92/93/28/448929328.db2.gz OPVCJZXATCRXBK-LSDHHAIUSA-N 2 2 338.452 1.249 20 0 EDADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000568875242 448933079 /nfs/dbraw/zinc/93/30/79/448933079.db2.gz AVKHEKWSTWCPGQ-QGZVFWFLSA-N 2 2 333.432 1.085 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000568871285 448933579 /nfs/dbraw/zinc/93/35/79/448933579.db2.gz DVRODFYMGRNYCQ-KRWDZBQOSA-N 2 2 339.867 1.458 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000568871285 448933584 /nfs/dbraw/zinc/93/35/84/448933584.db2.gz DVRODFYMGRNYCQ-KRWDZBQOSA-N 2 2 339.867 1.458 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548011150 448966150 /nfs/dbraw/zinc/96/61/50/448966150.db2.gz XTXLRLJMYHFSQI-STQMWFEESA-N 2 2 333.436 1.243 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548011150 448966155 /nfs/dbraw/zinc/96/61/55/448966155.db2.gz XTXLRLJMYHFSQI-STQMWFEESA-N 2 2 333.436 1.243 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000574701700 448937785 /nfs/dbraw/zinc/93/77/85/448937785.db2.gz ISZBCUDMJYEHSF-CQSZACIVSA-N 2 2 344.415 1.352 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC000574701700 448937790 /nfs/dbraw/zinc/93/77/90/448937790.db2.gz ISZBCUDMJYEHSF-CQSZACIVSA-N 2 2 344.415 1.352 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000574741346 448944440 /nfs/dbraw/zinc/94/44/40/448944440.db2.gz XBUUUOSSOZYPSV-IRXDYDNUSA-N 3 2 339.528 1.027 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000574741346 448944443 /nfs/dbraw/zinc/94/44/43/448944443.db2.gz XBUUUOSSOZYPSV-IRXDYDNUSA-N 3 2 339.528 1.027 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000548279892 449012544 /nfs/dbraw/zinc/01/25/44/449012544.db2.gz NYEURDUWYXJAFW-HNNXBMFYSA-N 2 2 345.422 1.898 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000548653154 449071720 /nfs/dbraw/zinc/07/17/20/449071720.db2.gz KTEDRAHNUJJTKO-UONOGXRCSA-N 2 2 333.461 1.862 20 0 EDADLP C[C@H](C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)CS(C)(=O)=O ZINC000548664598 449075237 /nfs/dbraw/zinc/07/52/37/449075237.db2.gz PQFDFCPHGWJNKF-ZIAGYGMSSA-N 2 2 325.478 1.689 20 0 EDADLP C[C@H](C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)CS(C)(=O)=O ZINC000548664598 449075241 /nfs/dbraw/zinc/07/52/41/449075241.db2.gz PQFDFCPHGWJNKF-ZIAGYGMSSA-N 2 2 325.478 1.689 20 0 EDADLP Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582367863 449077574 /nfs/dbraw/zinc/07/75/74/449077574.db2.gz ISCVVXVMPDVVIX-CYBMUJFWSA-N 2 2 343.456 1.830 20 0 EDADLP Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582367863 449077578 /nfs/dbraw/zinc/07/75/78/449077578.db2.gz ISCVVXVMPDVVIX-CYBMUJFWSA-N 2 2 343.456 1.830 20 0 EDADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000522001976 449038561 /nfs/dbraw/zinc/03/85/61/449038561.db2.gz PKDMJFLYXRERME-KRWDZBQOSA-N 2 2 346.475 1.137 20 0 EDADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000522001976 449038564 /nfs/dbraw/zinc/03/85/64/449038564.db2.gz PKDMJFLYXRERME-KRWDZBQOSA-N 2 2 346.475 1.137 20 0 EDADLP CC(C)(C)C[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000592895944 449041648 /nfs/dbraw/zinc/04/16/48/449041648.db2.gz NSDVNFYGCDVVAS-UHFFFAOYSA-N 2 2 347.503 1.671 20 0 EDADLP CC(C)(C)C[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000592895944 449041652 /nfs/dbraw/zinc/04/16/52/449041652.db2.gz NSDVNFYGCDVVAS-UHFFFAOYSA-N 2 2 347.503 1.671 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000582234686 449043396 /nfs/dbraw/zinc/04/33/96/449043396.db2.gz HOWWOOKOGDCCGH-OTWHNJEPSA-N 2 2 343.471 1.605 20 0 EDADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000582234686 449043401 /nfs/dbraw/zinc/04/34/01/449043401.db2.gz HOWWOOKOGDCCGH-OTWHNJEPSA-N 2 2 343.471 1.605 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000522138008 449054790 /nfs/dbraw/zinc/05/47/90/449054790.db2.gz ZSKKYMQZLKCFFT-NVXWUHKLSA-N 2 2 331.460 1.852 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000522138008 449054796 /nfs/dbraw/zinc/05/47/96/449054796.db2.gz ZSKKYMQZLKCFFT-NVXWUHKLSA-N 2 2 331.460 1.852 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)nn1 ZINC000575237378 449067353 /nfs/dbraw/zinc/06/73/53/449067353.db2.gz REUGYJVVTVCEEE-OAHLLOKOSA-N 2 2 332.383 1.152 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)nn1 ZINC000575237378 449067355 /nfs/dbraw/zinc/06/73/55/449067355.db2.gz REUGYJVVTVCEEE-OAHLLOKOSA-N 2 2 332.383 1.152 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000530222863 449086914 /nfs/dbraw/zinc/08/69/14/449086914.db2.gz LVBOWOOSNYPADU-HNNXBMFYSA-N 2 2 332.448 1.399 20 0 EDADLP CCOC(=O)[C@H](CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601808935 449164650 /nfs/dbraw/zinc/16/46/50/449164650.db2.gz XSPNKYSADPYZRI-CQSZACIVSA-N 2 2 334.420 1.361 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733270 449167528 /nfs/dbraw/zinc/16/75/28/449167528.db2.gz KNSZVZANLUOUIC-LIRRHRJNSA-N 2 2 345.443 1.863 20 0 EDADLP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733270 449167533 /nfs/dbraw/zinc/16/75/33/449167533.db2.gz KNSZVZANLUOUIC-LIRRHRJNSA-N 2 2 345.443 1.863 20 0 EDADLP COc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000604269611 449199183 /nfs/dbraw/zinc/19/91/83/449199183.db2.gz QTRZEDDYIDLSTR-INIZCTEOSA-N 2 2 347.463 1.722 20 0 EDADLP COc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000604269611 449199186 /nfs/dbraw/zinc/19/91/86/449199186.db2.gz QTRZEDDYIDLSTR-INIZCTEOSA-N 2 2 347.463 1.722 20 0 EDADLP CCOC(=O)Cn1ccc2cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc21 ZINC000593904582 449275978 /nfs/dbraw/zinc/27/59/78/449275978.db2.gz ZWRGMBNMPJSUNE-OAHLLOKOSA-N 2 2 346.431 1.422 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000602106453 449350158 /nfs/dbraw/zinc/35/01/58/449350158.db2.gz JAZAKEAPBXSQNN-GOEBONIOSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000602106453 449350163 /nfs/dbraw/zinc/35/01/63/449350163.db2.gz JAZAKEAPBXSQNN-GOEBONIOSA-N 2 2 337.464 1.099 20 0 EDADLP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000613995627 449410309 /nfs/dbraw/zinc/41/03/09/449410309.db2.gz MJTXRUIILULDQS-IAGOWNOFSA-N 2 2 329.488 1.794 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000596168384 449394053 /nfs/dbraw/zinc/39/40/53/449394053.db2.gz QTEXTWRSQIFSOO-QGZVFWFLSA-N 2 2 347.459 1.878 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc3ccnn3c2)CC1 ZINC000600642294 449469580 /nfs/dbraw/zinc/46/95/80/449469580.db2.gz CSBHFTUKJHEMHT-QGZVFWFLSA-N 2 2 328.464 1.331 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc3ccnn3c2)CC1 ZINC000600642294 449469582 /nfs/dbraw/zinc/46/95/82/449469582.db2.gz CSBHFTUKJHEMHT-QGZVFWFLSA-N 2 2 328.464 1.331 20 0 EDADLP CN(C)c1nc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc[nH+]1 ZINC000606898005 449540317 /nfs/dbraw/zinc/54/03/17/449540317.db2.gz RXKMIYHSSCIESG-UHFFFAOYSA-N 2 2 346.479 1.067 20 0 EDADLP C[NH+]1CCN([C@H](CNC(=O)CCn2cc[nH+]c2)c2cccs2)CC1 ZINC000614232086 449517965 /nfs/dbraw/zinc/51/79/65/449517965.db2.gz VJRMAQAUPCQYQR-OAHLLOKOSA-N 2 2 347.488 1.440 20 0 EDADLP CC[C@@H](C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000617342659 449565301 /nfs/dbraw/zinc/56/53/01/449565301.db2.gz HDYFTSCUTUSZPF-OAGGEKHMSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000617342659 449565308 /nfs/dbraw/zinc/56/53/08/449565308.db2.gz HDYFTSCUTUSZPF-OAGGEKHMSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617342659 449565311 /nfs/dbraw/zinc/56/53/11/449565311.db2.gz HDYFTSCUTUSZPF-OAGGEKHMSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000617342659 449565318 /nfs/dbraw/zinc/56/53/18/449565318.db2.gz HDYFTSCUTUSZPF-OAGGEKHMSA-N 2 2 325.497 1.865 20 0 EDADLP CC[C@@H](C(=O)N1CCC[NH+](C)C[C@H]1CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000614341747 449566611 /nfs/dbraw/zinc/56/66/11/449566611.db2.gz KNJWWQBJFQFKNB-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CCC[NH+](C)C[C@H]1CC)[N@H+]1CCO[C@H](CC)C1 ZINC000614341747 449566615 /nfs/dbraw/zinc/56/66/15/449566615.db2.gz KNJWWQBJFQFKNB-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@H+](C)C[C@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000614341747 449566621 /nfs/dbraw/zinc/56/66/21/449566621.db2.gz KNJWWQBJFQFKNB-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CCC[N@@H+](C)C[C@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000614341747 449566626 /nfs/dbraw/zinc/56/66/26/449566626.db2.gz KNJWWQBJFQFKNB-ZACQAIPSSA-N 2 2 325.497 1.819 20 0 EDADLP CO[C@@H]1C[N@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000600886610 449586123 /nfs/dbraw/zinc/58/61/23/449586123.db2.gz RVDOGZYUDOBBPJ-WMLDXEAASA-N 2 2 334.420 1.163 20 0 EDADLP CO[C@@H]1C[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000600886610 449586130 /nfs/dbraw/zinc/58/61/30/449586130.db2.gz RVDOGZYUDOBBPJ-WMLDXEAASA-N 2 2 334.420 1.163 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000600931698 449599812 /nfs/dbraw/zinc/59/98/12/449599812.db2.gz LCUIMCXVOBZBEQ-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000600931698 449599816 /nfs/dbraw/zinc/59/98/16/449599816.db2.gz LCUIMCXVOBZBEQ-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)CCN2C1=O ZINC000594737070 449657764 /nfs/dbraw/zinc/65/77/64/449657764.db2.gz YHKGUFYGFHQYOX-CABCVRRESA-N 2 2 328.441 1.554 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)CCN2C1=O ZINC000594737070 449657772 /nfs/dbraw/zinc/65/77/72/449657772.db2.gz YHKGUFYGFHQYOX-CABCVRRESA-N 2 2 328.441 1.554 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccn12 ZINC000617502108 449644729 /nfs/dbraw/zinc/64/47/29/449644729.db2.gz CLCOJOKCJKRJGY-AWEZNQCLSA-N 3 2 331.464 1.645 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccn12 ZINC000617502108 449644736 /nfs/dbraw/zinc/64/47/36/449644736.db2.gz CLCOJOKCJKRJGY-AWEZNQCLSA-N 3 2 331.464 1.645 20 0 EDADLP Cc1cnc2cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccn12 ZINC000617502108 449644742 /nfs/dbraw/zinc/64/47/42/449644742.db2.gz CLCOJOKCJKRJGY-AWEZNQCLSA-N 2 2 331.464 1.645 20 0 EDADLP Cc1cnc2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccn12 ZINC000617502108 449644749 /nfs/dbraw/zinc/64/47/49/449644749.db2.gz CLCOJOKCJKRJGY-AWEZNQCLSA-N 2 2 331.464 1.645 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000601005464 449648327 /nfs/dbraw/zinc/64/83/27/449648327.db2.gz RCLLRVZMWNKHSC-LPHOPBHVSA-N 2 2 345.487 1.660 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000601005464 449648334 /nfs/dbraw/zinc/64/83/34/449648334.db2.gz RCLLRVZMWNKHSC-LPHOPBHVSA-N 2 2 345.487 1.660 20 0 EDADLP COCC[NH+]1CCC[C@H](NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000601005464 449648338 /nfs/dbraw/zinc/64/83/38/449648338.db2.gz RCLLRVZMWNKHSC-LPHOPBHVSA-N 2 2 345.487 1.660 20 0 EDADLP COCC[NH+]1CCC[C@H](NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000601005464 449648344 /nfs/dbraw/zinc/64/83/44/449648344.db2.gz RCLLRVZMWNKHSC-LPHOPBHVSA-N 2 2 345.487 1.660 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000612464787 449720918 /nfs/dbraw/zinc/72/09/18/449720918.db2.gz GERGIKUFZOTZQM-WCVJEAGWSA-N 2 2 332.448 1.283 20 0 EDADLP CC[NH+]1CCN(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000608010989 449723989 /nfs/dbraw/zinc/72/39/89/449723989.db2.gz PWHRQYODUBFHGD-UHFFFAOYSA-N 2 2 345.422 1.265 20 0 EDADLP CCOC(=O)c1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)on1 ZINC000602643646 449724751 /nfs/dbraw/zinc/72/47/51/449724751.db2.gz GZUWFMDZZMBOAV-UHFFFAOYSA-N 2 2 346.387 1.577 20 0 EDADLP CCOC(=O)C1(C)CC([NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000601263941 449783927 /nfs/dbraw/zinc/78/39/27/449783927.db2.gz QSXZMWFXVLIJLI-FDYSRKEFSA-N 2 2 346.471 1.727 20 0 EDADLP CCOC(=O)C1(C)CC([NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000601263941 449783930 /nfs/dbraw/zinc/78/39/30/449783930.db2.gz QSXZMWFXVLIJLI-FDYSRKEFSA-N 2 2 346.471 1.727 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617703884 449750989 /nfs/dbraw/zinc/75/09/89/449750989.db2.gz QUDCYAFYRQUABX-KRWDZBQOSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617703884 449750993 /nfs/dbraw/zinc/75/09/93/449750993.db2.gz QUDCYAFYRQUABX-KRWDZBQOSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617703884 449751000 /nfs/dbraw/zinc/75/10/00/449751000.db2.gz QUDCYAFYRQUABX-KRWDZBQOSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617703884 449751004 /nfs/dbraw/zinc/75/10/04/449751004.db2.gz QUDCYAFYRQUABX-KRWDZBQOSA-N 2 2 328.416 1.225 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C4CCC4)cnn3C)C2)CC1 ZINC000597002318 449757697 /nfs/dbraw/zinc/75/76/97/449757697.db2.gz ASJDDAIRBLDJAO-KRWDZBQOSA-N 2 2 331.508 1.899 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C4CCC4)cnn3C)C2)CC1 ZINC000597002318 449757705 /nfs/dbraw/zinc/75/77/05/449757705.db2.gz ASJDDAIRBLDJAO-KRWDZBQOSA-N 2 2 331.508 1.899 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC(=O)NCc1cccs1 ZINC000601335461 449845329 /nfs/dbraw/zinc/84/53/29/449845329.db2.gz UTKDNQFKMNEELU-TZMCWYRMSA-N 2 2 336.461 1.148 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC(=O)NCc1cccs1 ZINC000601335461 449845332 /nfs/dbraw/zinc/84/53/32/449845332.db2.gz UTKDNQFKMNEELU-TZMCWYRMSA-N 2 2 336.461 1.148 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000601311803 449820764 /nfs/dbraw/zinc/82/07/64/449820764.db2.gz SMYHZUQDDVLOJO-OAHLLOKOSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000601311803 449820769 /nfs/dbraw/zinc/82/07/69/449820769.db2.gz SMYHZUQDDVLOJO-OAHLLOKOSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1nsc2ccccc12 ZINC000617763165 449822663 /nfs/dbraw/zinc/82/26/63/449822663.db2.gz HWYUYNHGPAVRSD-UHFFFAOYSA-N 2 2 334.489 1.839 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1nsc2ccccc12 ZINC000617763165 449822669 /nfs/dbraw/zinc/82/26/69/449822669.db2.gz HWYUYNHGPAVRSD-UHFFFAOYSA-N 2 2 334.489 1.839 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnnc(-c2ccccc2)c1 ZINC000617764428 449823897 /nfs/dbraw/zinc/82/38/97/449823897.db2.gz XBCCBKQJPDTXTK-UHFFFAOYSA-N 2 2 341.459 1.757 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnnc(-c2ccccc2)c1 ZINC000617764428 449823902 /nfs/dbraw/zinc/82/39/02/449823902.db2.gz XBCCBKQJPDTXTK-UHFFFAOYSA-N 2 2 341.459 1.757 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCn1cnc2ccccc21 ZINC000617768415 449833306 /nfs/dbraw/zinc/83/33/06/449833306.db2.gz BRDRWMFWPSHSMU-UHFFFAOYSA-N 2 2 331.464 1.426 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCn1cnc2ccccc21 ZINC000617768415 449833308 /nfs/dbraw/zinc/83/33/08/449833308.db2.gz BRDRWMFWPSHSMU-UHFFFAOYSA-N 2 2 331.464 1.426 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000601327406 449835812 /nfs/dbraw/zinc/83/58/12/449835812.db2.gz VNUWVJQJQUEOKP-RYUDHWBXSA-N 2 2 339.461 1.698 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000601327406 449835819 /nfs/dbraw/zinc/83/58/19/449835819.db2.gz VNUWVJQJQUEOKP-RYUDHWBXSA-N 2 2 339.461 1.698 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875223 449790700 /nfs/dbraw/zinc/79/07/00/449790700.db2.gz AWERRMPZYWAIRS-OFQRWUPVSA-N 2 2 344.459 1.381 20 0 EDADLP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594875223 449790705 /nfs/dbraw/zinc/79/07/05/449790705.db2.gz AWERRMPZYWAIRS-OFQRWUPVSA-N 2 2 344.459 1.381 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2sccc2C[NH+](C)C)[C@@H](C)CO1 ZINC000617731182 449791952 /nfs/dbraw/zinc/79/19/52/449791952.db2.gz WNJJURVDMGSBJA-QWHCGFSZSA-N 2 2 325.478 1.649 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2sccc2C[NH+](C)C)[C@@H](C)CO1 ZINC000617731182 449791956 /nfs/dbraw/zinc/79/19/56/449791956.db2.gz WNJJURVDMGSBJA-QWHCGFSZSA-N 2 2 325.478 1.649 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)c1ccccc1 ZINC000617735629 449798513 /nfs/dbraw/zinc/79/85/13/449798513.db2.gz RWPUXZABZDRMHU-NUJGCVRESA-N 2 2 333.476 1.905 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)c1ccccc1 ZINC000617735629 449798517 /nfs/dbraw/zinc/79/85/17/449798517.db2.gz RWPUXZABZDRMHU-NUJGCVRESA-N 2 2 333.476 1.905 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1 ZINC000617735629 449798519 /nfs/dbraw/zinc/79/85/19/449798519.db2.gz RWPUXZABZDRMHU-NUJGCVRESA-N 2 2 333.476 1.905 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)c1ccccc1 ZINC000617735629 449798522 /nfs/dbraw/zinc/79/85/22/449798522.db2.gz RWPUXZABZDRMHU-NUJGCVRESA-N 2 2 333.476 1.905 20 0 EDADLP CC[C@@H](O)CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608685830 449909566 /nfs/dbraw/zinc/90/95/66/449909566.db2.gz GAMMEBRPGSWUTE-GOEBONIOSA-N 2 2 326.485 1.005 20 0 EDADLP CC[C@@H](O)CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608685830 449909569 /nfs/dbraw/zinc/90/95/69/449909569.db2.gz GAMMEBRPGSWUTE-GOEBONIOSA-N 2 2 326.485 1.005 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612963067 449958287 /nfs/dbraw/zinc/95/82/87/449958287.db2.gz LUIVGBSFHGDETC-HNNXBMFYSA-N 2 2 329.448 1.623 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612964855 449960000 /nfs/dbraw/zinc/96/00/00/449960000.db2.gz UYBFMSDCRHFAOD-CYBMUJFWSA-N 2 2 333.823 1.929 20 0 EDADLP CN(C)c1ncccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477045 450001468 /nfs/dbraw/zinc/00/14/68/450001468.db2.gz ANPNMDFYRUHWHJ-MRXNPFEDSA-N 2 2 345.491 1.388 20 0 EDADLP CN(C)c1ncccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477045 450001477 /nfs/dbraw/zinc/00/14/77/450001477.db2.gz ANPNMDFYRUHWHJ-MRXNPFEDSA-N 2 2 345.491 1.388 20 0 EDADLP CC(C)COCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479632 450002101 /nfs/dbraw/zinc/00/21/01/450002101.db2.gz YSGKNWHHTDMODB-KRWDZBQOSA-N 2 2 325.497 1.676 20 0 EDADLP CC(C)COCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479632 450002106 /nfs/dbraw/zinc/00/21/06/450002106.db2.gz YSGKNWHHTDMODB-KRWDZBQOSA-N 2 2 325.497 1.676 20 0 EDADLP OCCNc1nc(N2CCC(n3cc[nH+]c3)CC2)[nH+]c2ccccc21 ZINC000601513464 450035064 /nfs/dbraw/zinc/03/50/64/450035064.db2.gz XWYDKHLNSQWJFR-UHFFFAOYSA-N 2 2 338.415 2.072 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583963 450084185 /nfs/dbraw/zinc/08/41/85/450084185.db2.gz TYFBFSQLNRGNRH-PMPSAXMXSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583963 450084187 /nfs/dbraw/zinc/08/41/87/450084187.db2.gz TYFBFSQLNRGNRH-PMPSAXMXSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583963 450084190 /nfs/dbraw/zinc/08/41/90/450084190.db2.gz TYFBFSQLNRGNRH-PMPSAXMXSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599583963 450084193 /nfs/dbraw/zinc/08/41/93/450084193.db2.gz TYFBFSQLNRGNRH-PMPSAXMXSA-N 2 2 328.497 1.987 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([NH+]2CCC(c3c[nH+]c[nH]3)CC2)C1=O ZINC000595393285 450106677 /nfs/dbraw/zinc/10/66/77/450106677.db2.gz UGEKTAFBJFRHQF-OAHLLOKOSA-N 2 2 334.420 1.143 20 0 EDADLP CCNC(=O)NC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595550514 450226087 /nfs/dbraw/zinc/22/60/87/450226087.db2.gz BOVBVAUQJNOPNR-UHFFFAOYSA-N 2 2 343.431 1.663 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cnc(C(=O)OC)cn3)CC2)CC1 ZINC000603396137 450279970 /nfs/dbraw/zinc/27/99/70/450279970.db2.gz KIYOPFQWUGLBCJ-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3cnc(C(=O)OC)cn3)CC2)CC1 ZINC000603396137 450279972 /nfs/dbraw/zinc/27/99/72/450279972.db2.gz KIYOPFQWUGLBCJ-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000601796470 450245156 /nfs/dbraw/zinc/24/51/56/450245156.db2.gz QFDCOBGMXFANBM-JKSUJKDBSA-N 2 2 331.464 1.988 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000601796470 450245160 /nfs/dbraw/zinc/24/51/60/450245160.db2.gz QFDCOBGMXFANBM-JKSUJKDBSA-N 2 2 331.464 1.988 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000622728084 450293015 /nfs/dbraw/zinc/29/30/15/450293015.db2.gz QPGXHXYRNZLBEQ-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000622728084 450293025 /nfs/dbraw/zinc/29/30/25/450293025.db2.gz QPGXHXYRNZLBEQ-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000603833482 450356023 /nfs/dbraw/zinc/35/60/23/450356023.db2.gz PHARUCKVKQOVHW-NUEKZKHPSA-N 2 2 345.443 1.730 20 0 EDADLP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)[C@H]1CCn2c[nH+]cc2C1 ZINC000619969456 450387002 /nfs/dbraw/zinc/38/70/02/450387002.db2.gz OEYNTPXCGOEFOV-USXIJHARSA-N 2 2 344.459 1.205 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000623259779 450467642 /nfs/dbraw/zinc/46/76/42/450467642.db2.gz KTXRHUVTDLICAJ-JTQLQIEISA-N 2 2 344.325 1.756 20 0 EDADLP C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1[nH+]ccn1C ZINC000620594467 450517786 /nfs/dbraw/zinc/51/77/86/450517786.db2.gz BDMZBQGVIYWRKX-MRXNPFEDSA-N 2 2 341.459 1.415 20 0 EDADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)CC1(C)C ZINC000623470562 450526416 /nfs/dbraw/zinc/52/64/16/450526416.db2.gz QATVXRHPBCFQNO-CHWSQXEVSA-N 2 2 346.518 1.345 20 0 EDADLP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)CC1(C)C ZINC000623470562 450526417 /nfs/dbraw/zinc/52/64/17/450526417.db2.gz QATVXRHPBCFQNO-CHWSQXEVSA-N 2 2 346.518 1.345 20 0 EDADLP CC(C)CNC(=O)CCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625960513 450544403 /nfs/dbraw/zinc/54/44/03/450544403.db2.gz IDCMKLNGJSLVPU-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1SC ZINC000623618474 450552643 /nfs/dbraw/zinc/55/26/43/450552643.db2.gz SNHIYYQHNVKRCR-AWEZNQCLSA-N 2 2 337.489 1.847 20 0 EDADLP COc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)ccc1SC ZINC000623618474 450552645 /nfs/dbraw/zinc/55/26/45/450552645.db2.gz SNHIYYQHNVKRCR-AWEZNQCLSA-N 2 2 337.489 1.847 20 0 EDADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039443 450559714 /nfs/dbraw/zinc/55/97/14/450559714.db2.gz CMNRUGHBOQLDIM-MAEOIBBWSA-N 2 2 330.476 1.394 20 0 EDADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039443 450559717 /nfs/dbraw/zinc/55/97/17/450559717.db2.gz CMNRUGHBOQLDIM-MAEOIBBWSA-N 2 2 330.476 1.394 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)CC2 ZINC000626060812 450566029 /nfs/dbraw/zinc/56/60/29/450566029.db2.gz LRWUHNUWHGTSIF-HNNXBMFYSA-N 2 2 330.432 1.937 20 0 EDADLP O=C1[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCN1C1CCC1 ZINC000623841913 450612099 /nfs/dbraw/zinc/61/20/99/450612099.db2.gz AWUZALUCTSHNSP-SFHVURJKSA-N 2 2 328.460 1.789 20 0 EDADLP O=C(NCCC[NH+]1CCOCC1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635066737 450618182 /nfs/dbraw/zinc/61/81/82/450618182.db2.gz BVOBVOQSJKPLIQ-UHFFFAOYSA-N 2 2 330.388 1.030 20 0 EDADLP Cn1cc[nH+]c1N1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623983013 450659550 /nfs/dbraw/zinc/65/95/50/450659550.db2.gz OJVMOIXXSLLSRF-UHFFFAOYSA-N 2 2 333.399 1.943 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000629416005 450661161 /nfs/dbraw/zinc/66/11/61/450661161.db2.gz DCAVEZBDRMKECR-MRXNPFEDSA-N 2 2 346.475 1.549 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](CO)c1ccnn1C ZINC000624018016 450671256 /nfs/dbraw/zinc/67/12/56/450671256.db2.gz KJOHUQMMIAMOEI-NXHRZFHOSA-N 2 2 328.460 1.954 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](CO)c1ccnn1C ZINC000624018016 450671260 /nfs/dbraw/zinc/67/12/60/450671260.db2.gz KJOHUQMMIAMOEI-NXHRZFHOSA-N 2 2 328.460 1.954 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635126760 450672594 /nfs/dbraw/zinc/67/25/94/450672594.db2.gz ISVXFQBHXWLYCE-KRWDZBQOSA-N 2 2 345.487 1.990 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635126760 450672598 /nfs/dbraw/zinc/67/25/98/450672598.db2.gz ISVXFQBHXWLYCE-KRWDZBQOSA-N 2 2 345.487 1.990 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2ccccc21 ZINC000624087105 450701760 /nfs/dbraw/zinc/70/17/60/450701760.db2.gz HYWALUFLHKVAGZ-WMZOPIPTSA-N 2 2 344.459 1.414 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2ccccc21 ZINC000624087105 450701765 /nfs/dbraw/zinc/70/17/65/450701765.db2.gz HYWALUFLHKVAGZ-WMZOPIPTSA-N 2 2 344.459 1.414 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542334 450729011 /nfs/dbraw/zinc/72/90/11/450729011.db2.gz DQIBDFNYZHRQNF-WZRBSPASSA-N 2 2 328.254 1.729 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624142294 450721464 /nfs/dbraw/zinc/72/14/64/450721464.db2.gz RPFWSZOEBHMPOU-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624142294 450721465 /nfs/dbraw/zinc/72/14/65/450721465.db2.gz RPFWSZOEBHMPOU-HOTGVXAUSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000635183379 450726523 /nfs/dbraw/zinc/72/65/23/450726523.db2.gz OTSPPCFBBPHOFT-UHFFFAOYSA-N 2 2 342.447 1.792 20 0 EDADLP Cn1c2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2oc1=O ZINC000624205493 450746691 /nfs/dbraw/zinc/74/66/91/450746691.db2.gz FHYDRKHCOBBODJ-HNNXBMFYSA-N 2 2 331.416 1.474 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2cnn(CC[NH+](C)C)c2)CC1(C)C ZINC000633263563 450764112 /nfs/dbraw/zinc/76/41/12/450764112.db2.gz NWETZAAEHFZZIV-CQSZACIVSA-N 2 2 330.436 1.402 20 0 EDADLP COCCCOc1cccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000629652562 450770293 /nfs/dbraw/zinc/77/02/93/450770293.db2.gz HJSJDXBMJFNLDM-UHFFFAOYSA-N 2 2 332.404 1.346 20 0 EDADLP C[C@H](C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000635258255 450790172 /nfs/dbraw/zinc/79/01/72/450790172.db2.gz SXQJWTHSSLNGQA-SJLPKXTDSA-N 2 2 332.492 1.432 20 0 EDADLP C[C@H](C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000635258255 450790178 /nfs/dbraw/zinc/79/01/78/450790178.db2.gz SXQJWTHSSLNGQA-SJLPKXTDSA-N 2 2 332.492 1.432 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866411 450835402 /nfs/dbraw/zinc/83/54/02/450835402.db2.gz PRLHTNUYTQHXBU-AWEZNQCLSA-N 2 2 337.439 1.219 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC[C@@H]1Cc2ccccc2O1 ZINC000631885719 450846788 /nfs/dbraw/zinc/84/67/88/450846788.db2.gz BJXHZYSLJSTJQY-IKGGRYGDSA-N 2 2 329.444 1.180 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC[C@@H]1Cc2ccccc2O1 ZINC000631885719 450846791 /nfs/dbraw/zinc/84/67/91/450846791.db2.gz BJXHZYSLJSTJQY-IKGGRYGDSA-N 2 2 329.444 1.180 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](C3CCOCC3)C[C@@H]1C)CC2 ZINC000626686254 450852257 /nfs/dbraw/zinc/85/22/57/450852257.db2.gz CBEYKRCGNRQWBT-HOTGVXAUSA-N 2 2 346.475 1.466 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](C3CCOCC3)C[C@@H]1C)CC2 ZINC000626686254 450852264 /nfs/dbraw/zinc/85/22/64/450852264.db2.gz CBEYKRCGNRQWBT-HOTGVXAUSA-N 2 2 346.475 1.466 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[nH+]1 ZINC000635357211 450878537 /nfs/dbraw/zinc/87/85/37/450878537.db2.gz GSHDWAHXYFGTEB-UHFFFAOYSA-N 2 2 342.443 1.663 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000635382561 450894259 /nfs/dbraw/zinc/89/42/59/450894259.db2.gz KKCZVTQVCXPEHB-ROUUACIJSA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000635382561 450894266 /nfs/dbraw/zinc/89/42/66/450894266.db2.gz KKCZVTQVCXPEHB-ROUUACIJSA-N 2 2 331.460 1.726 20 0 EDADLP Cc1cccn2cc(CC(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)[nH+]c12 ZINC000624578184 450905566 /nfs/dbraw/zinc/90/55/66/450905566.db2.gz KFUJZUPDEOMQHM-HOTGVXAUSA-N 2 2 344.459 1.801 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000624617070 450925624 /nfs/dbraw/zinc/92/56/24/450925624.db2.gz VQUKMEJRJXCJQI-SFHVURJKSA-N 2 2 345.491 1.641 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000624617070 450925632 /nfs/dbraw/zinc/92/56/32/450925632.db2.gz VQUKMEJRJXCJQI-SFHVURJKSA-N 2 2 345.491 1.641 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(C)[nH+]1 ZINC000627825724 450959530 /nfs/dbraw/zinc/95/95/30/450959530.db2.gz DXNURCICLMFPNL-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[N@H+](C)C2)c(C)[nH+]1 ZINC000627825724 450959532 /nfs/dbraw/zinc/95/95/32/450959532.db2.gz DXNURCICLMFPNL-OAHLLOKOSA-N 2 2 332.448 1.793 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000635488505 450985438 /nfs/dbraw/zinc/98/54/38/450985438.db2.gz ZSJKLJAJYYWJBI-UHFFFAOYSA-N 2 2 325.412 1.846 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000635488505 450985443 /nfs/dbraw/zinc/98/54/43/450985443.db2.gz ZSJKLJAJYYWJBI-UHFFFAOYSA-N 2 2 325.412 1.846 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501943 450996841 /nfs/dbraw/zinc/99/68/41/450996841.db2.gz VFCKYDSDUGBWOY-VXGBXAGGSA-N 2 2 334.342 1.214 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501943 450996844 /nfs/dbraw/zinc/99/68/44/450996844.db2.gz VFCKYDSDUGBWOY-VXGBXAGGSA-N 2 2 334.342 1.214 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccccc1 ZINC000626926828 451009634 /nfs/dbraw/zinc/00/96/34/451009634.db2.gz FLBZQOACIKLFOM-HNNXBMFYSA-N 2 2 343.431 1.317 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)C[NH2+]1 ZINC000626931472 451015012 /nfs/dbraw/zinc/01/50/12/451015012.db2.gz GKFSHEKVXGWTMQ-FMKPAKJESA-N 2 2 347.463 1.246 20 0 EDADLP Cc1cc(C2(C(=O)N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)on1 ZINC000635550689 451046409 /nfs/dbraw/zinc/04/64/09/451046409.db2.gz IBELLILZFSLDAA-INIZCTEOSA-N 2 2 346.475 1.642 20 0 EDADLP Cc1cc(C2(C(=O)N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)on1 ZINC000635550689 451046415 /nfs/dbraw/zinc/04/64/15/451046415.db2.gz IBELLILZFSLDAA-INIZCTEOSA-N 2 2 346.475 1.642 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635500046 450995511 /nfs/dbraw/zinc/99/55/11/450995511.db2.gz CSTTYAIHUGMHGR-HNNXBMFYSA-N 2 2 344.415 1.419 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635500046 450995515 /nfs/dbraw/zinc/99/55/15/450995515.db2.gz CSTTYAIHUGMHGR-HNNXBMFYSA-N 2 2 344.415 1.419 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)NCCCN1CCC[NH+](C)CC1 ZINC000635560407 451057139 /nfs/dbraw/zinc/05/71/39/451057139.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 2 2 346.519 1.305 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)NCCCN1CCC[NH+](C)CC1 ZINC000635560407 451057146 /nfs/dbraw/zinc/05/71/46/451057146.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 2 2 346.519 1.305 20 0 EDADLP C[NH+](CCc1ccccc1)CC(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000635560407 451057152 /nfs/dbraw/zinc/05/71/52/451057152.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 2 2 346.519 1.305 20 0 EDADLP C[NH+](CCc1ccccc1)CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000635560407 451057157 /nfs/dbraw/zinc/05/71/57/451057157.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 2 2 346.519 1.305 20 0 EDADLP CN1CCC[N@H+](CCCNC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC000635560407 451057163 /nfs/dbraw/zinc/05/71/63/451057163.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 2 2 346.519 1.305 20 0 EDADLP CN1CCC[N@@H+](CCCNC(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC000635560407 451057167 /nfs/dbraw/zinc/05/71/67/451057167.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 2 2 346.519 1.305 20 0 EDADLP CN1CCC[NH+](CCCNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635560407 451057173 /nfs/dbraw/zinc/05/71/73/451057173.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 2 2 346.519 1.305 20 0 EDADLP CN1CCC[NH+](CCCNC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635560407 451057178 /nfs/dbraw/zinc/05/71/78/451057178.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 2 2 346.519 1.305 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000627247506 451207267 /nfs/dbraw/zinc/20/72/67/451207267.db2.gz VNYQWBJKZZTHPV-MRXNPFEDSA-N 2 2 332.448 1.274 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194199 451230950 /nfs/dbraw/zinc/23/09/50/451230950.db2.gz GTXJCZSOORLZRB-INIZCTEOSA-N 3 2 331.464 1.646 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194199 451230953 /nfs/dbraw/zinc/23/09/53/451230953.db2.gz GTXJCZSOORLZRB-INIZCTEOSA-N 3 2 331.464 1.646 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCCc3c[nH]nn3)c2)CC1 ZINC000634194007 451229208 /nfs/dbraw/zinc/22/92/08/451229208.db2.gz QBIYBLVSQJQZBO-UHFFFAOYSA-N 2 2 343.435 1.303 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCCc3cn[nH]n3)c2)CC1 ZINC000634194007 451229211 /nfs/dbraw/zinc/22/92/11/451229211.db2.gz QBIYBLVSQJQZBO-UHFFFAOYSA-N 2 2 343.435 1.303 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CCO1 ZINC000638089916 451255468 /nfs/dbraw/zinc/25/54/68/451255468.db2.gz FEOVDOUYBLWUKC-FZMZJTMJSA-N 2 2 345.365 1.542 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CCO1 ZINC000638089916 451255471 /nfs/dbraw/zinc/25/54/71/451255471.db2.gz FEOVDOUYBLWUKC-FZMZJTMJSA-N 2 2 345.365 1.542 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1F ZINC000625279689 451257706 /nfs/dbraw/zinc/25/77/06/451257706.db2.gz WIAQOCHUOQGVFD-UHFFFAOYSA-N 2 2 349.447 1.435 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1F ZINC000625279689 451257713 /nfs/dbraw/zinc/25/77/13/451257713.db2.gz WIAQOCHUOQGVFD-UHFFFAOYSA-N 2 2 349.447 1.435 20 0 EDADLP c1nc(N2CC[NH+](CCC[C@@H]3CCO3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000638099443 451264636 /nfs/dbraw/zinc/26/46/36/451264636.db2.gz IJLNGWXYADICIR-MRXNPFEDSA-N 2 2 347.463 1.004 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000638123092 451293264 /nfs/dbraw/zinc/29/32/64/451293264.db2.gz NWGAQAJMXFNDOV-INIZCTEOSA-N 2 2 330.432 1.734 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC[N@@H+]1C ZINC000635867001 451313970 /nfs/dbraw/zinc/31/39/70/451313970.db2.gz URJBAJRJFIXJKA-INIZCTEOSA-N 2 2 328.416 1.990 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC[N@H+]1C ZINC000635867001 451313972 /nfs/dbraw/zinc/31/39/72/451313972.db2.gz URJBAJRJFIXJKA-INIZCTEOSA-N 2 2 328.416 1.990 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[N@H+](C)CCc1ccccc1 ZINC000635918624 451363947 /nfs/dbraw/zinc/36/39/47/451363947.db2.gz DOIHGDSJTUFFBW-MJGOQNOKSA-N 2 2 345.487 1.483 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC000635918624 451363950 /nfs/dbraw/zinc/36/39/50/451363950.db2.gz DOIHGDSJTUFFBW-MJGOQNOKSA-N 2 2 345.487 1.483 20 0 EDADLP C[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)C[NH2+]CCO1 ZINC000638271600 451390747 /nfs/dbraw/zinc/39/07/47/451390747.db2.gz BUEQUTFTNNHYAZ-KRWDZBQOSA-N 2 2 337.851 1.363 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000638274852 451393291 /nfs/dbraw/zinc/39/32/91/451393291.db2.gz HSJUPTWQKPHUCX-IAGOWNOFSA-N 2 2 341.459 1.923 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000638274852 451393296 /nfs/dbraw/zinc/39/32/96/451393296.db2.gz HSJUPTWQKPHUCX-IAGOWNOFSA-N 2 2 341.459 1.923 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000638277857 451396427 /nfs/dbraw/zinc/39/64/27/451396427.db2.gz WKLXWDWKDJLHHX-ROUUACIJSA-N 2 2 332.492 1.388 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635971456 451408204 /nfs/dbraw/zinc/40/82/04/451408204.db2.gz JZGVFKGSRLPZQQ-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635971456 451408211 /nfs/dbraw/zinc/40/82/11/451408211.db2.gz JZGVFKGSRLPZQQ-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635971456 451408217 /nfs/dbraw/zinc/40/82/17/451408217.db2.gz JZGVFKGSRLPZQQ-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635971456 451408223 /nfs/dbraw/zinc/40/82/23/451408223.db2.gz JZGVFKGSRLPZQQ-SJLPKXTDSA-N 2 2 331.460 1.822 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000628774306 451409298 /nfs/dbraw/zinc/40/92/98/451409298.db2.gz RGDJYDFTNDNRDL-CZUORRHYSA-N 2 2 346.406 1.723 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000640566359 451411135 /nfs/dbraw/zinc/41/11/35/451411135.db2.gz HPORRGOVGLPREV-UHFFFAOYSA-N 2 2 340.431 1.892 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638296751 451411668 /nfs/dbraw/zinc/41/16/68/451411668.db2.gz BTSFDDKGMGKZNG-ZQDZILKHSA-N 2 2 341.814 1.457 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638296751 451411671 /nfs/dbraw/zinc/41/16/71/451411671.db2.gz BTSFDDKGMGKZNG-ZQDZILKHSA-N 2 2 341.814 1.457 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638296353 451411947 /nfs/dbraw/zinc/41/19/47/451411947.db2.gz MYVVJGRASIADSE-RHSMWYFYSA-N 2 2 337.489 1.709 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C[NH+](C)C)ccn2)[C@H](C)CO1 ZINC000640576514 451420254 /nfs/dbraw/zinc/42/02/54/451420254.db2.gz WEAYLYPPLAYKAN-ZIAGYGMSSA-N 2 2 335.452 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C[NH+](C)C)ccn2)[C@H](C)CO1 ZINC000640576514 451420257 /nfs/dbraw/zinc/42/02/57/451420257.db2.gz WEAYLYPPLAYKAN-ZIAGYGMSSA-N 2 2 335.452 1.374 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C1)CC2 ZINC000638345591 451449159 /nfs/dbraw/zinc/44/91/59/451449159.db2.gz WQBCNQFWRXVYGO-HYVNUMGLSA-N 2 2 342.418 1.846 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634714381 451494774 /nfs/dbraw/zinc/49/47/74/451494774.db2.gz KQAPSLXRQOYVSH-LPHOPBHVSA-N 3 2 326.444 1.494 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634714381 451494778 /nfs/dbraw/zinc/49/47/78/451494778.db2.gz KQAPSLXRQOYVSH-LPHOPBHVSA-N 3 2 326.444 1.494 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634714381 451494781 /nfs/dbraw/zinc/49/47/81/451494781.db2.gz KQAPSLXRQOYVSH-LPHOPBHVSA-N 3 2 326.444 1.494 20 0 EDADLP O[C@]1(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634714381 451494784 /nfs/dbraw/zinc/49/47/84/451494784.db2.gz KQAPSLXRQOYVSH-LPHOPBHVSA-N 3 2 326.444 1.494 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@]34CCC[C@H]3OCC4)CC2)CC1 ZINC000630863336 451445621 /nfs/dbraw/zinc/44/56/21/451445621.db2.gz SVWUIRBIOIYLLD-MJGOQNOKSA-N 2 2 335.492 1.620 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000638424789 451508928 /nfs/dbraw/zinc/50/89/28/451508928.db2.gz JRQWADSQELQOAZ-SFHVURJKSA-N 2 2 347.459 1.266 20 0 EDADLP Cc1nnsc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000638437016 451514603 /nfs/dbraw/zinc/51/46/03/451514603.db2.gz PAHWEMNXLAWMPJ-UHFFFAOYSA-N 2 2 348.472 1.847 20 0 EDADLP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000634768340 451537151 /nfs/dbraw/zinc/53/71/51/451537151.db2.gz FVUGIKCZCGMZGT-MJGOQNOKSA-N 2 2 329.444 1.391 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC[C@@H]4C[NH2+]CC[C@H]43)nc[nH+]2)CC1 ZINC000634812962 451566443 /nfs/dbraw/zinc/56/64/43/451566443.db2.gz VOZSVONLJUHSHH-HUUCEWRRSA-N 2 2 331.464 1.406 20 0 EDADLP CC1(O)CCN(c2cc(N3CCC[C@@H]4C[NH2+]CC[C@H]43)[nH+]cn2)CC1 ZINC000634812962 451566448 /nfs/dbraw/zinc/56/64/48/451566448.db2.gz VOZSVONLJUHSHH-HUUCEWRRSA-N 2 2 331.464 1.406 20 0 EDADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000631077667 451570969 /nfs/dbraw/zinc/57/09/69/451570969.db2.gz XZZLDNKWGKMYTI-CYBMUJFWSA-N 2 2 326.412 1.901 20 0 EDADLP CC(C)[C@@H](CCO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631079687 451572011 /nfs/dbraw/zinc/57/20/11/451572011.db2.gz OQGDLBXVRPGQNQ-LJQANCHMSA-N 2 2 336.476 1.894 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000631079749 451572753 /nfs/dbraw/zinc/57/27/53/451572753.db2.gz SIKADKIOYSTPHV-FUHWJXTLSA-N 2 2 334.460 1.912 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632792184 451585487 /nfs/dbraw/zinc/58/54/87/451585487.db2.gz GJCUPQRUWPWCIQ-MRXNPFEDSA-N 2 2 342.443 1.594 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000632795261 451586727 /nfs/dbraw/zinc/58/67/27/451586727.db2.gz XYROCJDZMBJIPS-MRXNPFEDSA-N 2 2 329.404 1.133 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ncnn1C ZINC000631120637 451596364 /nfs/dbraw/zinc/59/63/64/451596364.db2.gz KNIHKFBMVKDXLF-OAHLLOKOSA-N 2 2 345.447 1.377 20 0 EDADLP COc1cccc(C)c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000638599454 451598166 /nfs/dbraw/zinc/59/81/66/451598166.db2.gz OKRSBLVJNLLESN-QGZVFWFLSA-N 2 2 333.476 1.500 20 0 EDADLP Cc1nc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000631096022 451581243 /nfs/dbraw/zinc/58/12/43/451581243.db2.gz MIMJHHNACZKVQE-UHFFFAOYSA-N 2 2 326.448 2.111 20 0 EDADLP Cc1nc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000631096022 451581244 /nfs/dbraw/zinc/58/12/44/451581244.db2.gz MIMJHHNACZKVQE-UHFFFAOYSA-N 2 2 326.448 2.111 20 0 EDADLP Cc1nc(N)nc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000631096022 451581251 /nfs/dbraw/zinc/58/12/51/451581251.db2.gz MIMJHHNACZKVQE-UHFFFAOYSA-N 2 2 326.448 2.111 20 0 EDADLP Cc1nc(N)nc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000631096022 451581254 /nfs/dbraw/zinc/58/12/54/451581254.db2.gz MIMJHHNACZKVQE-UHFFFAOYSA-N 2 2 326.448 2.111 20 0 EDADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)CC1 ZINC000638636970 451624801 /nfs/dbraw/zinc/62/48/01/451624801.db2.gz KHRPSCWTIQTOAF-LSDHHAIUSA-N 2 2 325.497 1.913 20 0 EDADLP Cc1nc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc(N)[nH+]1 ZINC000631189335 451633642 /nfs/dbraw/zinc/63/36/42/451633642.db2.gz ANKCNCCTDFOZBX-UHFFFAOYSA-N 2 2 327.436 1.900 20 0 EDADLP Cc1nc(N)nc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000631189335 451633645 /nfs/dbraw/zinc/63/36/45/451633645.db2.gz ANKCNCCTDFOZBX-UHFFFAOYSA-N 2 2 327.436 1.900 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000632902886 451641176 /nfs/dbraw/zinc/64/11/76/451641176.db2.gz ZPPQHGYESYQJNS-FSDCSDTHSA-N 2 2 344.459 1.874 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C[C@H](C)O1 ZINC000632902886 451641178 /nfs/dbraw/zinc/64/11/78/451641178.db2.gz ZPPQHGYESYQJNS-FSDCSDTHSA-N 2 2 344.459 1.874 20 0 EDADLP COc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1OC(F)F ZINC000635001243 451646536 /nfs/dbraw/zinc/64/65/36/451646536.db2.gz LNUMFNCRZJGGFE-UHFFFAOYSA-N 2 2 330.375 1.843 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000635004234 451648422 /nfs/dbraw/zinc/64/84/22/451648422.db2.gz CSIULGUUXOAKJD-CVEARBPZSA-N 2 2 341.477 1.017 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000631246820 451660949 /nfs/dbraw/zinc/66/09/49/451660949.db2.gz KQCMLIPTRDPDRB-YJBOKZPZSA-N 2 2 330.476 1.812 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000631246820 451660954 /nfs/dbraw/zinc/66/09/54/451660954.db2.gz KQCMLIPTRDPDRB-YJBOKZPZSA-N 2 2 330.476 1.812 20 0 EDADLP [NH3+][C@H](CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000638879250 451717544 /nfs/dbraw/zinc/71/75/44/451717544.db2.gz GAVVVUPLQSACJP-IEBWSBKVSA-N 2 2 345.487 1.706 20 0 EDADLP [NH3+][C@H](CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000638879250 451717548 /nfs/dbraw/zinc/71/75/48/451717548.db2.gz GAVVVUPLQSACJP-IEBWSBKVSA-N 2 2 345.487 1.706 20 0 EDADLP CCc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000631344789 451703238 /nfs/dbraw/zinc/70/32/38/451703238.db2.gz SOXOATABOWVQOU-LJQANCHMSA-N 2 2 341.459 1.994 20 0 EDADLP COC[C@H]([NH3+])Cc1cn(Cc2c[nH+]cn2Cc2ccccc2)nn1 ZINC000641039151 451738075 /nfs/dbraw/zinc/73/80/75/451738075.db2.gz VAPQGCRPLURKRK-OAHLLOKOSA-N 2 2 326.404 1.087 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000638977178 451744254 /nfs/dbraw/zinc/74/42/54/451744254.db2.gz ONQMQSTTWMGPCO-QGZVFWFLSA-N 2 2 329.448 1.545 20 0 EDADLP CCn1ncnc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000638977178 451744256 /nfs/dbraw/zinc/74/42/56/451744256.db2.gz ONQMQSTTWMGPCO-QGZVFWFLSA-N 2 2 329.448 1.545 20 0 EDADLP COCc1ccccc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987921 451748271 /nfs/dbraw/zinc/74/82/71/451748271.db2.gz NRCIRTYRFVERME-UHFFFAOYSA-N 2 2 326.400 1.890 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000639003334 451751391 /nfs/dbraw/zinc/75/13/91/451751391.db2.gz GRPUKVCIDAGTEQ-IRXDYDNUSA-N 2 2 345.491 1.189 20 0 EDADLP CC1(CO)CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000639049695 451757999 /nfs/dbraw/zinc/75/79/99/451757999.db2.gz YBEAHKCFTVJZQL-UHFFFAOYSA-N 2 2 348.487 1.992 20 0 EDADLP COCC[NH2+]CCc1cn(Cc2ccc(-n3cc[nH+]c3)cc2C)nn1 ZINC000641164776 451766701 /nfs/dbraw/zinc/76/67/01/451766701.db2.gz SXZAQHPMJZQFGY-UHFFFAOYSA-N 2 2 340.431 1.599 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC000639097022 451767426 /nfs/dbraw/zinc/76/74/26/451767426.db2.gz ILHLLPJWZTYYEA-CQSZACIVSA-N 2 2 346.431 1.940 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000639124459 451772727 /nfs/dbraw/zinc/77/27/27/451772727.db2.gz KYISMKYCTIIDLX-UHFFFAOYSA-N 2 2 343.537 1.843 20 0 EDADLP C[NH2+]C(C)(C)c1cn(C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641214573 451784242 /nfs/dbraw/zinc/78/42/42/451784242.db2.gz WHWGMULKQPFTPU-CQSZACIVSA-N 2 2 342.447 1.760 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C[C@H]2CCOC2)nn1 ZINC000639176430 451785641 /nfs/dbraw/zinc/78/56/41/451785641.db2.gz GMYUWMPOGVBNIF-MRXNPFEDSA-N 2 2 346.479 1.986 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C[C@H]2CCOC2)nn1 ZINC000639176430 451785643 /nfs/dbraw/zinc/78/56/43/451785643.db2.gz GMYUWMPOGVBNIF-MRXNPFEDSA-N 2 2 346.479 1.986 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000637339954 451794120 /nfs/dbraw/zinc/79/41/20/451794120.db2.gz MQRBTIXHLWPLRB-UHFFFAOYSA-N 2 2 346.475 1.665 20 0 EDADLP Cn1nc2c(c1C[N@@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)CCCC2 ZINC000639303988 451816969 /nfs/dbraw/zinc/81/69/69/451816969.db2.gz XGNQRHLEUDCHBF-INIZCTEOSA-N 2 2 332.492 1.986 20 0 EDADLP Cn1nc2c(c1C[N@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)CCCC2 ZINC000639303988 451816980 /nfs/dbraw/zinc/81/69/80/451816980.db2.gz XGNQRHLEUDCHBF-INIZCTEOSA-N 2 2 332.492 1.986 20 0 EDADLP C[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1F)C[NH+]1CCOCC1 ZINC000644572140 451869016 /nfs/dbraw/zinc/86/90/16/451869016.db2.gz IWTDOODXJQOGHZ-RDJZCZTQSA-N 2 2 340.439 1.261 20 0 EDADLP CO[C@](C)(C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000644659163 451921939 /nfs/dbraw/zinc/92/19/39/451921939.db2.gz QFBNZMJUKVRTIO-PBWTXFEYSA-N 2 2 336.476 1.608 20 0 EDADLP C[N@@H+]1CC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000641398752 451937202 /nfs/dbraw/zinc/93/72/02/451937202.db2.gz KFEBWDSUKITIAH-JKSUJKDBSA-N 2 2 334.445 1.248 20 0 EDADLP C[N@H+]1CC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000641398752 451937206 /nfs/dbraw/zinc/93/72/06/451937206.db2.gz KFEBWDSUKITIAH-JKSUJKDBSA-N 2 2 334.445 1.248 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cc1 ZINC000649283110 451955982 /nfs/dbraw/zinc/95/59/82/451955982.db2.gz LCZXJADLUYHURY-NXHRZFHOSA-N 2 2 329.444 1.480 20 0 EDADLP C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000641417539 451956585 /nfs/dbraw/zinc/95/65/85/451956585.db2.gz UTHARGRHCGYTPK-LSDHHAIUSA-N 2 2 340.493 1.456 20 0 EDADLP C[C@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000641417539 451956589 /nfs/dbraw/zinc/95/65/89/451956589.db2.gz UTHARGRHCGYTPK-LSDHHAIUSA-N 2 2 340.493 1.456 20 0 EDADLP COCCC1(C(=O)NCCc2cn3ccccc3[nH+]2)CC[NH2+]CC1 ZINC000649284656 451957670 /nfs/dbraw/zinc/95/76/70/451957670.db2.gz OCFWRKYDRAMUJT-UHFFFAOYSA-N 2 2 330.432 1.399 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1C[NH2+]CCC1(F)F ZINC000649285037 451958133 /nfs/dbraw/zinc/95/81/33/451958133.db2.gz XSBWCZHOASUFLY-LLVKDONJSA-N 2 2 328.750 1.849 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C2CCC([NH3+])CC2)CC1 ZINC000649285838 451958968 /nfs/dbraw/zinc/95/89/68/451958968.db2.gz YMNUFWOKDRBEGE-UHFFFAOYSA-N 2 2 344.459 1.530 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C[NH2+]CC2CC2)CC1 ZINC000649285574 451959372 /nfs/dbraw/zinc/95/93/72/451959372.db2.gz DXWNNCNUKZMNRB-UHFFFAOYSA-N 2 2 330.432 1.012 20 0 EDADLP COC[C@]1(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CCC[NH2+]1 ZINC000649289299 451964044 /nfs/dbraw/zinc/96/40/44/451964044.db2.gz ITKZASBDMKEPIF-IBGZPJMESA-N 2 2 346.475 1.703 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000649295914 451971173 /nfs/dbraw/zinc/97/11/73/451971173.db2.gz FZXOTGMLFDAGHF-RCCFBDPRSA-N 2 2 331.460 1.551 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC000649295442 451971967 /nfs/dbraw/zinc/97/19/67/451971967.db2.gz KGLWNEMHZTZAIO-INMHGKMJSA-N 2 2 347.459 1.470 20 0 EDADLP C[N@@H+]1CC[C@@](N)(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000649304905 451981938 /nfs/dbraw/zinc/98/19/38/451981938.db2.gz MDZKEXDUTYMYME-IBGZPJMESA-N 2 2 339.443 1.858 20 0 EDADLP C[N@H+]1CC[C@@](N)(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)C1 ZINC000649304905 451981945 /nfs/dbraw/zinc/98/19/45/451981945.db2.gz MDZKEXDUTYMYME-IBGZPJMESA-N 2 2 339.443 1.858 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000639641587 451992465 /nfs/dbraw/zinc/99/24/65/451992465.db2.gz KFQNEDZQDKWEHO-GFCCVEGCSA-N 2 2 332.370 1.743 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000639641587 451992471 /nfs/dbraw/zinc/99/24/71/451992471.db2.gz KFQNEDZQDKWEHO-GFCCVEGCSA-N 2 2 332.370 1.743 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000643077525 452034472 /nfs/dbraw/zinc/03/44/72/452034472.db2.gz OMRNFMHAGHNKOV-VCBZYWHSSA-N 2 2 341.459 1.465 20 0 EDADLP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000643080964 452035619 /nfs/dbraw/zinc/03/56/19/452035619.db2.gz PHGINEHMUHFIJO-QGZVFWFLSA-N 2 2 342.447 1.575 20 0 EDADLP CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000643080964 452035629 /nfs/dbraw/zinc/03/56/29/452035629.db2.gz PHGINEHMUHFIJO-QGZVFWFLSA-N 2 2 342.447 1.575 20 0 EDADLP CN(C(=O)[C@@H]1CCc2cccnc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644866917 452038652 /nfs/dbraw/zinc/03/86/52/452038652.db2.gz RECZZQBPVXZSOR-QZTJIDSGSA-N 2 2 342.487 1.738 20 0 EDADLP CN(C(=O)[C@@H]1CCc2cccnc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644866917 452038659 /nfs/dbraw/zinc/03/86/59/452038659.db2.gz RECZZQBPVXZSOR-QZTJIDSGSA-N 2 2 342.487 1.738 20 0 EDADLP CN1CC[NH+](CCC(C)(C)NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651759134 452059765 /nfs/dbraw/zinc/05/97/65/452059765.db2.gz BAAFFKMAFDATBI-UHFFFAOYSA-N 2 2 347.507 1.294 20 0 EDADLP COC[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000651759616 452059880 /nfs/dbraw/zinc/05/98/80/452059880.db2.gz XHHRJLVNNDKUPE-HUUCEWRRSA-N 2 2 336.480 1.952 20 0 EDADLP CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000653741032 452097828 /nfs/dbraw/zinc/09/78/28/452097828.db2.gz AMYZNXHKVRLWIR-LSDHHAIUSA-N 2 2 337.489 1.141 20 0 EDADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762281 452100491 /nfs/dbraw/zinc/10/04/91/452100491.db2.gz LXPSAOCDJCQTJW-LPHOPBHVSA-N 2 2 337.508 1.770 20 0 EDADLP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762281 452100495 /nfs/dbraw/zinc/10/04/95/452100495.db2.gz LXPSAOCDJCQTJW-LPHOPBHVSA-N 2 2 337.508 1.770 20 0 EDADLP COc1ncncc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000647178848 452109325 /nfs/dbraw/zinc/10/93/25/452109325.db2.gz ODKWNSMWXICJPD-GOSISDBHSA-N 2 2 341.459 1.564 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767963 452110184 /nfs/dbraw/zinc/11/01/84/452110184.db2.gz XAAHUHNRSAWHMF-JXFKEZNVSA-N 2 2 345.487 1.348 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767963 452110186 /nfs/dbraw/zinc/11/01/86/452110186.db2.gz XAAHUHNRSAWHMF-JXFKEZNVSA-N 2 2 345.487 1.348 20 0 EDADLP CC(C)[N@H+](CC(N)=O)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637858483 452118156 /nfs/dbraw/zinc/11/81/56/452118156.db2.gz FJCIGDFLPDLAGG-UHFFFAOYSA-N 2 2 335.448 1.093 20 0 EDADLP CC(C)[N@@H+](CC(N)=O)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637858483 452118160 /nfs/dbraw/zinc/11/81/60/452118160.db2.gz FJCIGDFLPDLAGG-UHFFFAOYSA-N 2 2 335.448 1.093 20 0 EDADLP O=c1c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cccn1C(F)F ZINC000637869610 452123872 /nfs/dbraw/zinc/12/38/72/452123872.db2.gz NJGGIKHIRFGQOD-UHFFFAOYSA-N 2 2 340.418 1.457 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)C[C@H]1C(C)(C)C1(F)F ZINC000641608027 452127952 /nfs/dbraw/zinc/12/79/52/452127952.db2.gz ZDXKOAXFQWEYCN-LBPRGKRZSA-N 2 2 341.468 1.081 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)C[C@H]1C(C)(C)C1(F)F ZINC000641608027 452127958 /nfs/dbraw/zinc/12/79/58/452127958.db2.gz ZDXKOAXFQWEYCN-LBPRGKRZSA-N 2 2 341.468 1.081 20 0 EDADLP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641624591 452145153 /nfs/dbraw/zinc/14/51/53/452145153.db2.gz OEFRUFCFFZMOQD-CABCVRRESA-N 2 2 328.482 1.265 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCO1 ZINC000651893517 452149234 /nfs/dbraw/zinc/14/92/34/452149234.db2.gz XEFVUWORVCOJHX-OAHLLOKOSA-N 2 2 334.464 1.379 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCO1 ZINC000651893517 452149241 /nfs/dbraw/zinc/14/92/41/452149241.db2.gz XEFVUWORVCOJHX-OAHLLOKOSA-N 2 2 334.464 1.379 20 0 EDADLP O=C(C[NH+]1CCC(C2(O)CC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000649670950 452190812 /nfs/dbraw/zinc/19/08/12/452190812.db2.gz BHDHTBMXHSCLCN-UHFFFAOYSA-N 2 2 347.459 1.161 20 0 EDADLP CC[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC000649732153 452218346 /nfs/dbraw/zinc/21/83/46/452218346.db2.gz SVORUVDLLMVHIV-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC000649732153 452218350 /nfs/dbraw/zinc/21/83/50/452218350.db2.gz SVORUVDLLMVHIV-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000637987319 452230835 /nfs/dbraw/zinc/23/08/35/452230835.db2.gz PVCMQVALGHOAGM-UHFFFAOYSA-N 2 2 326.447 1.498 20 0 EDADLP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(N2CCCC2)n1 ZINC000643471326 452237931 /nfs/dbraw/zinc/23/79/31/452237931.db2.gz UEUUKIYPFUYOSX-MSOLQXFVSA-N 2 2 330.476 1.847 20 0 EDADLP CC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccncc1 ZINC000641785344 452257342 /nfs/dbraw/zinc/25/73/42/452257342.db2.gz IEXQNIJJVCIOQO-OALUTQOASA-N 2 2 332.492 1.919 20 0 EDADLP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cn1 ZINC000641785942 452257909 /nfs/dbraw/zinc/25/79/09/452257909.db2.gz GYIMPOFGYVXCCI-HKUYNNGSSA-N 2 2 349.523 1.911 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000647529344 452263986 /nfs/dbraw/zinc/26/39/86/452263986.db2.gz HYTIJYKWENQLOI-HZPDHXFCSA-N 2 2 342.867 1.516 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000647529344 452263997 /nfs/dbraw/zinc/26/39/97/452263997.db2.gz HYTIJYKWENQLOI-HZPDHXFCSA-N 2 2 342.867 1.516 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C[C@H](C)O1 ZINC000641788389 452265579 /nfs/dbraw/zinc/26/55/79/452265579.db2.gz ZJGIXTGYPILPPM-XMTFNYHQSA-N 2 2 325.497 1.329 20 0 EDADLP COC1CC[NH+](CCNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000665705353 452267197 /nfs/dbraw/zinc/26/71/97/452267197.db2.gz MKAASRAQBDIEFH-LSDHHAIUSA-N 2 2 349.479 1.206 20 0 EDADLP O=C(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[NH2+]CC1 ZINC000643500402 452270564 /nfs/dbraw/zinc/27/05/64/452270564.db2.gz CALKDNUACQXFEH-LDLYASANSA-N 3 2 342.487 1.203 20 0 EDADLP O=C(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[NH2+]CC1 ZINC000643500402 452270573 /nfs/dbraw/zinc/27/05/73/452270573.db2.gz CALKDNUACQXFEH-LDLYASANSA-N 3 2 342.487 1.203 20 0 EDADLP COc1ccc(-c2noc(C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)n2)c(OC)c1 ZINC000641802435 452277284 /nfs/dbraw/zinc/27/72/84/452277284.db2.gz KWGNZMLJEBJVBN-ZIAGYGMSSA-N 2 2 332.404 1.969 20 0 EDADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000643526208 452294540 /nfs/dbraw/zinc/29/45/40/452294540.db2.gz UKRMTAQYPSYYHF-STQMWFEESA-N 2 2 337.445 1.756 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659449570 452297714 /nfs/dbraw/zinc/29/77/14/452297714.db2.gz JXEQYPMFLXVAMY-IUODEOHRSA-N 2 2 349.385 1.643 20 0 EDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538530 452299140 /nfs/dbraw/zinc/29/91/40/452299140.db2.gz MRLYWOVLXKCQAL-DLOVCJGASA-N 2 2 332.217 1.289 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)c1ccccc1Cl ZINC000638051671 452324252 /nfs/dbraw/zinc/32/42/52/452324252.db2.gz OBMMWKPMJNPFEC-ZBFHGGJFSA-N 2 2 325.840 1.437 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCn2c(C)[nH+]c3ccccc32)C1 ZINC000638051494 452324790 /nfs/dbraw/zinc/32/47/90/452324790.db2.gz JDLCGKAJMNMKFO-RDTXWAMCSA-N 2 2 330.432 1.618 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)NC/C=C/C[NH3+])[C@H](C)C1 ZINC000641867588 452333849 /nfs/dbraw/zinc/33/38/49/452333849.db2.gz SKOUELIUZMYRPS-FYCOFBDGSA-N 2 2 346.475 1.816 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)NC/C=C/C[NH3+])[C@H](C)C1 ZINC000641867588 452333856 /nfs/dbraw/zinc/33/38/56/452333856.db2.gz SKOUELIUZMYRPS-FYCOFBDGSA-N 2 2 346.475 1.816 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000638056340 452342341 /nfs/dbraw/zinc/34/23/41/452342341.db2.gz KFUWYHVQSAKJAP-KRWDZBQOSA-N 2 2 343.475 1.742 20 0 EDADLP COc1cccc(C[C@H]([NH3+])C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000638058324 452347628 /nfs/dbraw/zinc/34/76/28/452347628.db2.gz AWHJFTKUHIQVRV-KRWDZBQOSA-N 2 2 338.411 1.572 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000652191589 452390083 /nfs/dbraw/zinc/39/00/83/452390083.db2.gz ZFWIZMPDYPTDSH-HNNXBMFYSA-N 2 2 335.452 1.281 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000652191590 452390443 /nfs/dbraw/zinc/39/04/43/452390443.db2.gz ZFWIZMPDYPTDSH-OAHLLOKOSA-N 2 2 335.452 1.281 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652197419 452394365 /nfs/dbraw/zinc/39/43/65/452394365.db2.gz ZFNSCSRUMLTIBY-RRFJBIMHSA-N 2 2 335.452 1.331 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663673067 452409469 /nfs/dbraw/zinc/40/94/69/452409469.db2.gz DZHVDLMKLJWANZ-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663673067 452409479 /nfs/dbraw/zinc/40/94/79/452409479.db2.gz DZHVDLMKLJWANZ-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663673067 452409486 /nfs/dbraw/zinc/40/94/86/452409486.db2.gz DZHVDLMKLJWANZ-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663673067 452409493 /nfs/dbraw/zinc/40/94/93/452409493.db2.gz DZHVDLMKLJWANZ-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000659555706 452410865 /nfs/dbraw/zinc/41/08/65/452410865.db2.gz OJKUEJWZCPMBEH-ATLSCFEFSA-N 2 2 346.475 1.407 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000659555706 452410874 /nfs/dbraw/zinc/41/08/74/452410874.db2.gz OJKUEJWZCPMBEH-ATLSCFEFSA-N 2 2 346.475 1.407 20 0 EDADLP Cc1[nH]c2nc[nH+]c(N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)c2c1C ZINC000647703928 452433151 /nfs/dbraw/zinc/43/31/51/452433151.db2.gz QUTLNVZHCYHAKY-AWEZNQCLSA-N 2 2 342.447 1.223 20 0 EDADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647708871 452444512 /nfs/dbraw/zinc/44/45/12/452444512.db2.gz PAICXUKFAYBPGK-ROUUACIJSA-N 2 2 340.427 1.213 20 0 EDADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647708871 452444514 /nfs/dbraw/zinc/44/45/14/452444514.db2.gz PAICXUKFAYBPGK-ROUUACIJSA-N 2 2 340.427 1.213 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nc(C(N)=O)cs2)cc1 ZINC000657686250 452445013 /nfs/dbraw/zinc/44/50/13/452445013.db2.gz NIXFKJVAPYUBHY-UHFFFAOYSA-N 2 2 334.445 1.472 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657695875 452452357 /nfs/dbraw/zinc/45/23/57/452452357.db2.gz CNOYZCXEMCJLDZ-UHFFFAOYSA-N 2 2 331.420 1.429 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657695875 452452364 /nfs/dbraw/zinc/45/23/64/452452364.db2.gz CNOYZCXEMCJLDZ-UHFFFAOYSA-N 2 2 331.420 1.429 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)n1C ZINC000657745782 452495003 /nfs/dbraw/zinc/49/50/03/452495003.db2.gz XYBKWZFLZLBKLO-LJQANCHMSA-N 2 2 344.459 1.082 20 0 EDADLP CCS(=O)(=O)C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000657759379 452508009 /nfs/dbraw/zinc/50/80/09/452508009.db2.gz QFKUPNRWYQLHDV-UHFFFAOYSA-N 2 2 325.459 1.991 20 0 EDADLP COCCC[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655707747 452525961 /nfs/dbraw/zinc/52/59/61/452525961.db2.gz CAORRWJLTNOYNW-GOSISDBHSA-N 3 2 325.497 1.330 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C[C@H]1C[NH3+] ZINC000652356704 452533586 /nfs/dbraw/zinc/53/35/86/452533586.db2.gz AIMGLFYCTIXNBN-NVXWUHKLSA-N 2 2 331.460 1.478 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C[C@H]1C[NH3+] ZINC000652356704 452533598 /nfs/dbraw/zinc/53/35/98/452533598.db2.gz AIMGLFYCTIXNBN-NVXWUHKLSA-N 2 2 331.460 1.478 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000654476951 452544969 /nfs/dbraw/zinc/54/49/69/452544969.db2.gz SNVCCXVXARONPL-QGZVFWFLSA-N 2 2 330.476 1.265 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000655732882 452546868 /nfs/dbraw/zinc/54/68/68/452546868.db2.gz PNXQRGOIZGNBRD-HZPDHXFCSA-N 2 2 331.464 1.786 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000655732882 452546876 /nfs/dbraw/zinc/54/68/76/452546876.db2.gz PNXQRGOIZGNBRD-HZPDHXFCSA-N 2 2 331.464 1.786 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659677744 452547284 /nfs/dbraw/zinc/54/72/84/452547284.db2.gz RZPWEQQAWQAMDN-UHFFFAOYSA-N 2 2 345.447 1.047 20 0 EDADLP CC[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000661759680 452559237 /nfs/dbraw/zinc/55/92/37/452559237.db2.gz YOCQPLAWXSNDFV-IBGZPJMESA-N 2 2 345.487 1.913 20 0 EDADLP O=C1NCCc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc21 ZINC000655753974 452559429 /nfs/dbraw/zinc/55/94/29/452559429.db2.gz HYWNJOXFLXXJAN-QGZVFWFLSA-N 2 2 329.444 1.315 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)CO1 ZINC000663850782 452578559 /nfs/dbraw/zinc/57/85/59/452578559.db2.gz KGZNEAAAZDQDOF-HOTGVXAUSA-N 2 2 346.475 1.411 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)CO1 ZINC000663850782 452578562 /nfs/dbraw/zinc/57/85/62/452578562.db2.gz KGZNEAAAZDQDOF-HOTGVXAUSA-N 2 2 346.475 1.411 20 0 EDADLP C[C@@H]1[C@H](O)CC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000650189763 452587068 /nfs/dbraw/zinc/58/70/68/452587068.db2.gz OYWZTTFCNOQEFH-RHSMWYFYSA-N 2 2 349.500 1.629 20 0 EDADLP C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000650189763 452587075 /nfs/dbraw/zinc/58/70/75/452587075.db2.gz OYWZTTFCNOQEFH-RHSMWYFYSA-N 2 2 349.500 1.629 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC(=O)N(C)CC3)c2cc1C ZINC000661809172 452592968 /nfs/dbraw/zinc/59/29/68/452592968.db2.gz MERDUGJITKFHCD-HNNXBMFYSA-N 2 2 330.432 1.178 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC(=O)N(C)CC3)c2cc1C ZINC000661809172 452592977 /nfs/dbraw/zinc/59/29/77/452592977.db2.gz MERDUGJITKFHCD-HNNXBMFYSA-N 2 2 330.432 1.178 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000647863720 452600380 /nfs/dbraw/zinc/60/03/80/452600380.db2.gz IVUIOFQZDUEUMM-WBVHZDCISA-N 2 2 344.463 1.558 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000647863720 452600386 /nfs/dbraw/zinc/60/03/86/452600386.db2.gz IVUIOFQZDUEUMM-WBVHZDCISA-N 2 2 344.463 1.558 20 0 EDADLP O=C(C[NH2+][C@@H]1C[C@H](O)C12CCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000661840287 452624847 /nfs/dbraw/zinc/62/48/47/452624847.db2.gz RGHYPCWCGXHPTR-CVEARBPZSA-N 2 2 349.500 1.285 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647900403 452640637 /nfs/dbraw/zinc/64/06/37/452640637.db2.gz APMMXZPLCSUFFL-PKOBYXMFSA-N 2 2 345.487 1.954 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647900403 452640645 /nfs/dbraw/zinc/64/06/45/452640645.db2.gz APMMXZPLCSUFFL-PKOBYXMFSA-N 2 2 345.487 1.954 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCOCC1(C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663969618 452678855 /nfs/dbraw/zinc/67/88/55/452678855.db2.gz DCZKXVDVEILJND-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCOCC1(C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000663969618 452678863 /nfs/dbraw/zinc/67/88/63/452678863.db2.gz DCZKXVDVEILJND-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H]1CC[NH+](CC)C1 ZINC000663969618 452678873 /nfs/dbraw/zinc/67/88/73/452678873.db2.gz DCZKXVDVEILJND-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@H]1CC[NH+](CC)C1 ZINC000663969618 452678877 /nfs/dbraw/zinc/67/88/77/452678877.db2.gz DCZKXVDVEILJND-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP c1cc(N2CCC([N@@H+]3CCCOCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000664011255 452715004 /nfs/dbraw/zinc/71/50/04/452715004.db2.gz MAHMXHOTLGFQBO-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP c1cc(N2CCC([N@H+]3CCCOCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000664011255 452715011 /nfs/dbraw/zinc/71/50/11/452715011.db2.gz MAHMXHOTLGFQBO-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831067 452719024 /nfs/dbraw/zinc/71/90/24/452719024.db2.gz NIWOSMHPXGQHKU-HIFRSBDPSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831067 452719034 /nfs/dbraw/zinc/71/90/34/452719034.db2.gz NIWOSMHPXGQHKU-HIFRSBDPSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831067 452719042 /nfs/dbraw/zinc/71/90/42/452719042.db2.gz NIWOSMHPXGQHKU-HIFRSBDPSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831067 452719052 /nfs/dbraw/zinc/71/90/52/452719052.db2.gz NIWOSMHPXGQHKU-HIFRSBDPSA-N 2 2 343.493 1.028 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCOCC1 ZINC000666262153 452726073 /nfs/dbraw/zinc/72/60/73/452726073.db2.gz MJEWZZXJNBZXJO-MAUKXSAKSA-N 2 2 348.491 1.768 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652584490 452757395 /nfs/dbraw/zinc/75/73/95/452757395.db2.gz QITGILZMWQPPFW-UHFFFAOYSA-N 2 2 333.436 1.477 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662041644 452793772 /nfs/dbraw/zinc/79/37/72/452793772.db2.gz VXBXVPVAKGHAJT-HOTGVXAUSA-N 2 2 349.500 1.361 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000662041644 452793778 /nfs/dbraw/zinc/79/37/78/452793778.db2.gz VXBXVPVAKGHAJT-HOTGVXAUSA-N 2 2 349.500 1.361 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662049017 452797901 /nfs/dbraw/zinc/79/79/01/452797901.db2.gz NXCSLQBJTIZZRU-SFHVURJKSA-N 2 2 348.487 1.785 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000662049017 452797912 /nfs/dbraw/zinc/79/79/12/452797912.db2.gz NXCSLQBJTIZZRU-SFHVURJKSA-N 2 2 348.487 1.785 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000648118670 452835380 /nfs/dbraw/zinc/83/53/80/452835380.db2.gz LMCVGYUIFSVRGP-OAGGEKHMSA-N 3 2 345.491 1.231 20 0 EDADLP C[C@@H]1[C@H](C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)CC[N@H+]1C ZINC000648118670 452835393 /nfs/dbraw/zinc/83/53/93/452835393.db2.gz LMCVGYUIFSVRGP-OAGGEKHMSA-N 3 2 345.491 1.231 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)c3[nH+]ccn3C)CC2)c1 ZINC000662102543 452843021 /nfs/dbraw/zinc/84/30/21/452843021.db2.gz XCUGVGCNINTSBC-CQSZACIVSA-N 2 2 328.420 1.716 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000666433113 452865744 /nfs/dbraw/zinc/86/57/44/452865744.db2.gz ONICUCOEBPLAQO-SAABIXHNSA-N 2 2 348.491 1.779 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000666433113 452865752 /nfs/dbraw/zinc/86/57/52/452865752.db2.gz ONICUCOEBPLAQO-SAABIXHNSA-N 2 2 348.491 1.779 20 0 EDADLP C[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@]1(C)CO ZINC000662133610 452867538 /nfs/dbraw/zinc/86/75/38/452867538.db2.gz FOMKILQQXCIRRK-QFBILLFUSA-N 2 2 346.475 1.071 20 0 EDADLP C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@]1(C)CO ZINC000662133610 452867549 /nfs/dbraw/zinc/86/75/49/452867549.db2.gz FOMKILQQXCIRRK-QFBILLFUSA-N 2 2 346.475 1.071 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664209313 452881899 /nfs/dbraw/zinc/88/18/99/452881899.db2.gz DDMWSQZHYNYEQC-CABCVRRESA-N 2 2 337.468 1.380 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664209313 452881910 /nfs/dbraw/zinc/88/19/10/452881910.db2.gz DDMWSQZHYNYEQC-CABCVRRESA-N 2 2 337.468 1.380 20 0 EDADLP O[C@H]1CC[N@@H+](C2CCN(Cc3[nH+]ccn3Cc3ccccc3)CC2)C1 ZINC000662158953 452898343 /nfs/dbraw/zinc/89/83/43/452898343.db2.gz VWBXBHILNZOISY-IBGZPJMESA-N 2 2 340.471 1.962 20 0 EDADLP O[C@H]1CC[N@H+](C2CCN(Cc3[nH+]ccn3Cc3ccccc3)CC2)C1 ZINC000662158953 452898352 /nfs/dbraw/zinc/89/83/52/452898352.db2.gz VWBXBHILNZOISY-IBGZPJMESA-N 2 2 340.471 1.962 20 0 EDADLP CC1(C)CCCN(c2cc[nH+]c(NCCC[N@@H+]3CCNC(=O)C3)n2)C1 ZINC000656149738 452902989 /nfs/dbraw/zinc/90/29/89/452902989.db2.gz LXFSAYWBHWHIGO-UHFFFAOYSA-N 2 2 346.479 1.337 20 0 EDADLP CC1(C)CCCN(c2cc[nH+]c(NCCC[N@H+]3CCNC(=O)C3)n2)C1 ZINC000656149738 452902994 /nfs/dbraw/zinc/90/29/94/452902994.db2.gz LXFSAYWBHWHIGO-UHFFFAOYSA-N 2 2 346.479 1.337 20 0 EDADLP COc1c(C)[nH+]cnc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000656156146 452908527 /nfs/dbraw/zinc/90/85/27/452908527.db2.gz XHGGJHHLBDNKBX-MRXNPFEDSA-N 2 2 328.416 1.972 20 0 EDADLP COc1c(C)[nH+]cnc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000656156146 452908533 /nfs/dbraw/zinc/90/85/33/452908533.db2.gz XHGGJHHLBDNKBX-MRXNPFEDSA-N 2 2 328.416 1.972 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3OCc4ccccc43)C2)CC1 ZINC000654775745 452908499 /nfs/dbraw/zinc/90/84/99/452908499.db2.gz SJCMQTXQPXHSGR-VQIMIIECSA-N 2 2 343.471 1.933 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3OCc4ccccc43)C2)CC1 ZINC000654775745 452908502 /nfs/dbraw/zinc/90/85/02/452908502.db2.gz SJCMQTXQPXHSGR-VQIMIIECSA-N 2 2 343.471 1.933 20 0 EDADLP [NH3+]CCOCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000645964144 452948555 /nfs/dbraw/zinc/94/85/55/452948555.db2.gz FDRVWFQYFCKAIF-CQSZACIVSA-N 2 2 343.830 1.535 20 0 EDADLP [NH3+]CCOCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000645964144 452948563 /nfs/dbraw/zinc/94/85/63/452948563.db2.gz FDRVWFQYFCKAIF-CQSZACIVSA-N 2 2 343.830 1.535 20 0 EDADLP CC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CCOCC1 ZINC000664286085 452966191 /nfs/dbraw/zinc/96/61/91/452966191.db2.gz CSXNLTXSNJQVSO-INIZCTEOSA-N 2 2 328.501 1.374 20 0 EDADLP CC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CCOCC1 ZINC000664286085 452966202 /nfs/dbraw/zinc/96/62/02/452966202.db2.gz CSXNLTXSNJQVSO-INIZCTEOSA-N 2 2 328.501 1.374 20 0 EDADLP O=C(c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249750 452976626 /nfs/dbraw/zinc/97/66/26/452976626.db2.gz ZHUUINUNSIVENJ-MRXNPFEDSA-N 2 2 349.862 1.619 20 0 EDADLP CCOc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000662251859 452978474 /nfs/dbraw/zinc/97/84/74/452978474.db2.gz KFJPCGJUSPOLSX-INIZCTEOSA-N 2 2 333.480 1.872 20 0 EDADLP CCOc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)nn1 ZINC000662251859 452978482 /nfs/dbraw/zinc/97/84/82/452978482.db2.gz KFJPCGJUSPOLSX-INIZCTEOSA-N 2 2 333.480 1.872 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662327113 453045825 /nfs/dbraw/zinc/04/58/25/453045825.db2.gz JPNSZBVBRTZWPD-MJGOQNOKSA-N 3 2 335.492 1.780 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662327113 453045831 /nfs/dbraw/zinc/04/58/31/453045831.db2.gz JPNSZBVBRTZWPD-MJGOQNOKSA-N 3 2 335.492 1.780 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654947426 453057299 /nfs/dbraw/zinc/05/72/99/453057299.db2.gz SEBPXBSXURYGMW-TZMCWYRMSA-N 2 2 332.404 1.162 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654947426 453057309 /nfs/dbraw/zinc/05/73/09/453057309.db2.gz SEBPXBSXURYGMW-TZMCWYRMSA-N 2 2 332.404 1.162 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103274 453103455 /nfs/dbraw/zinc/10/34/55/453103455.db2.gz NMHUASRWDBAZTN-KRWDZBQOSA-N 2 2 331.460 1.613 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103274 453103467 /nfs/dbraw/zinc/10/34/67/453103467.db2.gz NMHUASRWDBAZTN-KRWDZBQOSA-N 2 2 331.460 1.613 20 0 EDADLP COc1cccc(NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103484 453103754 /nfs/dbraw/zinc/10/37/54/453103754.db2.gz GPNVJCNXOFWMQS-UHFFFAOYSA-N 2 2 333.432 1.430 20 0 EDADLP COc1cccc(NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103484 453103757 /nfs/dbraw/zinc/10/37/57/453103757.db2.gz GPNVJCNXOFWMQS-UHFFFAOYSA-N 2 2 333.432 1.430 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000666754282 453118888 /nfs/dbraw/zinc/11/88/88/453118888.db2.gz JUUPZOLZCNBCFX-YESZJQIVSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000666754282 453118901 /nfs/dbraw/zinc/11/89/01/453118901.db2.gz JUUPZOLZCNBCFX-YESZJQIVSA-N 2 2 338.496 1.269 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000646118847 453132606 /nfs/dbraw/zinc/13/26/06/453132606.db2.gz JOLFLZVNMPPVDU-SFHVURJKSA-N 2 2 339.443 1.051 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000646118847 453132610 /nfs/dbraw/zinc/13/26/10/453132610.db2.gz JOLFLZVNMPPVDU-SFHVURJKSA-N 2 2 339.443 1.051 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000664543874 453183908 /nfs/dbraw/zinc/18/39/08/453183908.db2.gz SGXMEHVERLMXLX-QGZVFWFLSA-N 2 2 333.480 1.715 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000664543874 453183913 /nfs/dbraw/zinc/18/39/13/453183913.db2.gz SGXMEHVERLMXLX-QGZVFWFLSA-N 2 2 333.480 1.715 20 0 EDADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000662478201 453190916 /nfs/dbraw/zinc/19/09/16/453190916.db2.gz BDCCEVSJXNGNAJ-WMZOPIPTSA-N 2 2 329.444 1.544 20 0 EDADLP COCC[N@H+](C)Cc1cn([C@H]2CC[NH+](Cc3ccccc3)C2)nn1 ZINC000656456152 453197031 /nfs/dbraw/zinc/19/70/31/453197031.db2.gz RVNCUQIXTZEMNQ-SFHVURJKSA-N 2 2 329.448 1.803 20 0 EDADLP COCC[N@@H+](C)Cc1cn([C@H]2CC[NH+](Cc3ccccc3)C2)nn1 ZINC000656456152 453197039 /nfs/dbraw/zinc/19/70/39/453197039.db2.gz RVNCUQIXTZEMNQ-SFHVURJKSA-N 2 2 329.448 1.803 20 0 EDADLP COCC[NH+](C)Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656456152 453197046 /nfs/dbraw/zinc/19/70/46/453197046.db2.gz RVNCUQIXTZEMNQ-SFHVURJKSA-N 2 2 329.448 1.803 20 0 EDADLP COCC[NH+](C)Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656456152 453197052 /nfs/dbraw/zinc/19/70/52/453197052.db2.gz RVNCUQIXTZEMNQ-SFHVURJKSA-N 2 2 329.448 1.803 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000653058801 453235479 /nfs/dbraw/zinc/23/54/79/453235479.db2.gz GPWLTRBDXUJSKE-NSHDSACASA-N 2 2 348.428 1.756 20 0 EDADLP CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653068519 453246582 /nfs/dbraw/zinc/24/65/82/453246582.db2.gz GZOCJVBZOYMWSE-CZUORRHYSA-N 2 2 334.464 1.110 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000656536060 453259559 /nfs/dbraw/zinc/25/95/59/453259559.db2.gz HIJKFPHXBUOEMW-OAHLLOKOSA-N 2 2 349.479 1.462 20 0 EDADLP COc1cc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1SC ZINC000653082060 453262425 /nfs/dbraw/zinc/26/24/25/453262425.db2.gz HPXPJBYSSKRYSI-CYBMUJFWSA-N 2 2 325.478 1.655 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c(OC)c1 ZINC000666946803 453271634 /nfs/dbraw/zinc/27/16/34/453271634.db2.gz RDWHKGDUWHLDBP-AVGNSLFASA-N 2 2 339.411 1.711 20 0 EDADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1noc(Cc2ccccc2)n1 ZINC000653100653 453283107 /nfs/dbraw/zinc/28/31/07/453283107.db2.gz UJFAJJXUZBNHPK-JSGCOSHPSA-N 2 2 331.420 1.117 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]CC3)CC2)cc1F ZINC000653106045 453288095 /nfs/dbraw/zinc/28/80/95/453288095.db2.gz QVJVAZVDIXRIHG-MRXNPFEDSA-N 2 2 349.450 1.868 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471974 453331073 /nfs/dbraw/zinc/33/10/73/453331073.db2.gz GZJZCNFNSLQMHN-GVDBMIGSSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471974 453331076 /nfs/dbraw/zinc/33/10/76/453331076.db2.gz GZJZCNFNSLQMHN-GVDBMIGSSA-N 2 2 325.497 1.866 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000653158789 453350495 /nfs/dbraw/zinc/35/04/95/453350495.db2.gz LSSDEQYYKVWHLL-ZYHUDNBSSA-N 2 2 339.308 1.963 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000653158036 453350573 /nfs/dbraw/zinc/35/05/73/453350573.db2.gz TZAQHIDZDLAJID-GJZGRUSLSA-N 2 2 342.447 1.414 20 0 EDADLP C[NH+](C)CC[C@@H](N)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000653159604 453352296 /nfs/dbraw/zinc/35/22/96/453352296.db2.gz HYMBOIDVBMIUFX-MRXNPFEDSA-N 2 2 338.883 1.093 20 0 EDADLP C[NH+](C)CC[C@@H](N)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000653159604 453352305 /nfs/dbraw/zinc/35/23/05/453352305.db2.gz HYMBOIDVBMIUFX-MRXNPFEDSA-N 2 2 338.883 1.093 20 0 EDADLP CC(C)c1nc([C@H]2CCCCCN2C(=O)[C@H]([NH3+])CC[NH+](C)C)no1 ZINC000653160076 453352721 /nfs/dbraw/zinc/35/27/21/453352721.db2.gz XDQHUNQDWXKLGT-ZIAGYGMSSA-N 2 2 337.468 1.916 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653169041 453359924 /nfs/dbraw/zinc/35/99/24/453359924.db2.gz ZYWNHXOFDQWIEJ-SJLPKXTDSA-N 3 2 338.540 1.769 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653169041 453359928 /nfs/dbraw/zinc/35/99/28/453359928.db2.gz ZYWNHXOFDQWIEJ-SJLPKXTDSA-N 3 2 338.540 1.769 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662695036 453415927 /nfs/dbraw/zinc/41/59/27/453415927.db2.gz WPVWKQPUNJXCNG-CYBMUJFWSA-N 2 2 325.416 1.232 20 0 EDADLP O=C(CN1CCn2c[nH+]cc2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000660577335 453417337 /nfs/dbraw/zinc/41/73/37/453417337.db2.gz FOHNEBBCSJCUCF-UHFFFAOYSA-N 2 2 339.443 1.043 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000662716581 453442067 /nfs/dbraw/zinc/44/20/67/453442067.db2.gz FCDJNDSNRGCPAB-WMZOPIPTSA-N 2 2 333.476 1.734 20 0 EDADLP Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000656791705 453448248 /nfs/dbraw/zinc/44/82/48/453448248.db2.gz LBGRBVIXVKCYNB-HXUWFJFHSA-N 2 2 344.503 1.642 20 0 EDADLP Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000656791705 453448254 /nfs/dbraw/zinc/44/82/54/453448254.db2.gz LBGRBVIXVKCYNB-HXUWFJFHSA-N 2 2 344.503 1.642 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662728561 453456116 /nfs/dbraw/zinc/45/61/16/453456116.db2.gz CKYKQCGOTIMTCP-JKSUJKDBSA-N 2 2 328.416 1.254 20 0 EDADLP CCCN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CC[N@H+](C)C1 ZINC000648996341 453463174 /nfs/dbraw/zinc/46/31/74/453463174.db2.gz REGAFDJTIOZTMB-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP CCCN(C(=O)c1ccc(C[NH+]2CCOCC2)cn1)[C@@H]1CC[N@@H+](C)C1 ZINC000648996341 453463179 /nfs/dbraw/zinc/46/31/79/453463179.db2.gz REGAFDJTIOZTMB-QGZVFWFLSA-N 2 2 346.475 1.470 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000651322340 453469554 /nfs/dbraw/zinc/46/95/54/453469554.db2.gz NMNJBOAWGHEBLN-HNNXBMFYSA-N 3 2 345.491 1.047 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000651322340 453469559 /nfs/dbraw/zinc/46/95/59/453469559.db2.gz NMNJBOAWGHEBLN-HNNXBMFYSA-N 3 2 345.491 1.047 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCO[C@H]3CCCC[C@H]31)C2 ZINC000660658720 453495431 /nfs/dbraw/zinc/49/54/31/453495431.db2.gz JNHNNGDWLIHYQD-ZIFCJYIRSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCO[C@H]3CCCC[C@H]31)C2 ZINC000660658720 453495441 /nfs/dbraw/zinc/49/54/41/453495441.db2.gz JNHNNGDWLIHYQD-ZIFCJYIRSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCO[C@H]3CCCC[C@H]31)C2 ZINC000660658720 453495454 /nfs/dbraw/zinc/49/54/54/453495454.db2.gz JNHNNGDWLIHYQD-ZIFCJYIRSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCO[C@H]3CCCC[C@H]31)C2 ZINC000660658720 453495465 /nfs/dbraw/zinc/49/54/65/453495465.db2.gz JNHNNGDWLIHYQD-ZIFCJYIRSA-N 2 2 335.492 1.574 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662760473 453497870 /nfs/dbraw/zinc/49/78/70/453497870.db2.gz WPRQGHXYCJJPAY-HNNXBMFYSA-N 2 2 328.460 1.948 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000660696004 453521133 /nfs/dbraw/zinc/52/11/33/453521133.db2.gz FECRQAAOBBQAGF-UHFFFAOYSA-N 2 2 344.393 1.976 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)CC2([NH3+])CC2)[C@H](C)C1 ZINC000662802256 453536902 /nfs/dbraw/zinc/53/69/02/453536902.db2.gz HPEXLEPQTNGMOL-OAHLLOKOSA-N 2 2 331.460 1.999 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)CC2([NH3+])CC2)[C@H](C)C1 ZINC000662802256 453536907 /nfs/dbraw/zinc/53/69/07/453536907.db2.gz HPEXLEPQTNGMOL-OAHLLOKOSA-N 2 2 331.460 1.999 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000665045074 453551379 /nfs/dbraw/zinc/55/13/79/453551379.db2.gz DEGCVSJEKIGERN-HZPDHXFCSA-N 2 2 349.479 1.860 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646679011 453554280 /nfs/dbraw/zinc/55/42/80/453554280.db2.gz OSHTUQPDVJJARI-PKOBYXMFSA-N 2 2 345.487 1.703 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)CC2 ZINC000667328019 453561068 /nfs/dbraw/zinc/56/10/68/453561068.db2.gz CALUNTPWDSOHRZ-QGZVFWFLSA-N 2 2 339.443 1.991 20 0 EDADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)CC2 ZINC000667328019 453561073 /nfs/dbraw/zinc/56/10/73/453561073.db2.gz CALUNTPWDSOHRZ-QGZVFWFLSA-N 2 2 339.443 1.991 20 0 EDADLP CC[C@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCC[NH2+]1 ZINC000662851237 453571234 /nfs/dbraw/zinc/57/12/34/453571234.db2.gz ZESKAOCBOBLWGM-WSTZPKSXSA-N 2 2 343.471 1.630 20 0 EDADLP CC[C@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCC[NH2+]1 ZINC000662851237 453571238 /nfs/dbraw/zinc/57/12/38/453571238.db2.gz ZESKAOCBOBLWGM-WSTZPKSXSA-N 2 2 343.471 1.630 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1N ZINC000662900412 453594078 /nfs/dbraw/zinc/59/40/78/453594078.db2.gz LMCZJPCQYRYLOH-KRWDZBQOSA-N 2 2 330.476 1.818 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1N ZINC000662900412 453594080 /nfs/dbraw/zinc/59/40/80/453594080.db2.gz LMCZJPCQYRYLOH-KRWDZBQOSA-N 2 2 330.476 1.818 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900994 453596133 /nfs/dbraw/zinc/59/61/33/453596133.db2.gz RAMIRQCNHGRDNM-WMZOPIPTSA-N 3 2 338.540 1.624 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900994 453596136 /nfs/dbraw/zinc/59/61/36/453596136.db2.gz RAMIRQCNHGRDNM-WMZOPIPTSA-N 3 2 338.540 1.624 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000660843943 453601796 /nfs/dbraw/zinc/60/17/96/453601796.db2.gz JRAIFQZZFPOOJM-OAHLLOKOSA-N 2 2 329.448 1.718 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000660843943 453601801 /nfs/dbraw/zinc/60/18/01/453601801.db2.gz JRAIFQZZFPOOJM-OAHLLOKOSA-N 2 2 329.448 1.718 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000665206225 453608904 /nfs/dbraw/zinc/60/89/04/453608904.db2.gz BCHNBZDVLQHVNE-QZTJIDSGSA-N 2 2 332.492 1.973 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000665206225 453608907 /nfs/dbraw/zinc/60/89/07/453608907.db2.gz BCHNBZDVLQHVNE-QZTJIDSGSA-N 2 2 332.492 1.973 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2=O)cc1 ZINC000665240469 453619690 /nfs/dbraw/zinc/61/96/90/453619690.db2.gz LLIAMVCPLOEYLW-BJZITVGISA-N 2 2 345.443 1.157 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659089981 453624578 /nfs/dbraw/zinc/62/45/78/453624578.db2.gz GNZSFBXWRVXTAX-CQSZACIVSA-N 2 2 346.431 1.267 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000660871757 453626343 /nfs/dbraw/zinc/62/63/43/453626343.db2.gz RJSFYTRIINZQIH-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]([NH3+])COC(C)C)cc1 ZINC000659285308 453700732 /nfs/dbraw/zinc/70/07/32/453700732.db2.gz TUZANYAFLWQCKD-ROUUACIJSA-N 2 2 349.475 1.237 20 0 EDADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000659289952 453704340 /nfs/dbraw/zinc/70/43/40/453704340.db2.gz HRNXQPXPVHYQID-IBGZPJMESA-N 2 2 336.439 1.960 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cn1 ZINC000665556343 453748159 /nfs/dbraw/zinc/74/81/59/453748159.db2.gz WFJFEGSUDLJVOR-INIZCTEOSA-N 2 2 348.495 1.120 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)CC2)cn1 ZINC000665556343 453748164 /nfs/dbraw/zinc/74/81/64/453748164.db2.gz WFJFEGSUDLJVOR-INIZCTEOSA-N 2 2 348.495 1.120 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000665621180 453769874 /nfs/dbraw/zinc/76/98/74/453769874.db2.gz TUGYERDLUAFRHV-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP CS(=O)(=O)c1ccc(OCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657351852 453772628 /nfs/dbraw/zinc/77/26/28/453772628.db2.gz ARLUSEGOKZIWFC-UHFFFAOYSA-N 2 2 335.429 1.401 20 0 EDADLP Cc1cc(N2CCC([NH2+]Cc3nnn(C(C)(C)C)n3)CC2)nc(C)[nH+]1 ZINC000657388304 453779609 /nfs/dbraw/zinc/77/96/09/453779609.db2.gz CJYQSAUITQLHJY-UHFFFAOYSA-N 2 2 344.467 1.594 20 0 EDADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663502603 453811458 /nfs/dbraw/zinc/81/14/58/453811458.db2.gz WGWBVIHBKOKELS-UHFFFAOYSA-N 2 2 326.400 1.690 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnc(C4CC4)c3)C2)CC1 ZINC000679984874 486689667 /nfs/dbraw/zinc/68/96/67/486689667.db2.gz QDIXOIMYMYVQBC-INIZCTEOSA-N 2 2 328.460 1.857 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnc(C4CC4)c3)C2)CC1 ZINC000679984874 486689671 /nfs/dbraw/zinc/68/96/71/486689671.db2.gz QDIXOIMYMYVQBC-INIZCTEOSA-N 2 2 328.460 1.857 20 0 EDADLP C[NH+]1CCN(CC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000680007491 486694524 /nfs/dbraw/zinc/69/45/24/486694524.db2.gz DYFDJVLEYJAMHD-UHFFFAOYSA-N 2 2 333.480 1.149 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000576100001 486763910 /nfs/dbraw/zinc/76/39/10/486763910.db2.gz BVRXQWUOJXIYNG-MRXNPFEDSA-N 2 2 333.432 1.481 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000576100001 486763915 /nfs/dbraw/zinc/76/39/15/486763915.db2.gz BVRXQWUOJXIYNG-MRXNPFEDSA-N 2 2 333.432 1.481 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c[nH+]2)CCO1 ZINC000416989559 486790310 /nfs/dbraw/zinc/79/03/10/486790310.db2.gz ORYLGHXNWBEFMH-FVQBIDKESA-N 2 2 347.463 1.376 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000676558767 486806182 /nfs/dbraw/zinc/80/61/82/486806182.db2.gz RYTAVSXDRWEGFN-MRXNPFEDSA-N 2 2 342.399 1.551 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000676558767 486806186 /nfs/dbraw/zinc/80/61/86/486806186.db2.gz RYTAVSXDRWEGFN-MRXNPFEDSA-N 2 2 342.399 1.551 20 0 EDADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@H](C)[NH3+])c1 ZINC000667559158 486845819 /nfs/dbraw/zinc/84/58/19/486845819.db2.gz DIDWJYPFVZLSFN-ZDUSSCGKSA-N 2 2 343.431 1.752 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895126 486856447 /nfs/dbraw/zinc/85/64/47/486856447.db2.gz FSIRDBMVACUQOY-ZDUSSCGKSA-N 2 2 331.395 1.376 20 0 EDADLP COc1cccnc1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673001945 486872768 /nfs/dbraw/zinc/87/27/68/486872768.db2.gz XBNJPXWARXTBFB-INIZCTEOSA-N 2 2 346.475 1.260 20 0 EDADLP COc1cccnc1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673001945 486872771 /nfs/dbraw/zinc/87/27/71/486872771.db2.gz XBNJPXWARXTBFB-INIZCTEOSA-N 2 2 346.475 1.260 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCC[NH+]1CCSCC1)CCC2 ZINC000676928780 486932342 /nfs/dbraw/zinc/93/23/42/486932342.db2.gz ZTGSYKYLSDOXQL-CQSZACIVSA-N 2 2 337.493 1.417 20 0 EDADLP C[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000681139411 486949161 /nfs/dbraw/zinc/94/91/61/486949161.db2.gz UGFRPUPOXNISOR-WMLDXEAASA-N 2 2 339.505 1.691 20 0 EDADLP CN(C(=O)NC[C@]1(C)CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216953 486976948 /nfs/dbraw/zinc/97/69/48/486976948.db2.gz BBGFJAHSFRRZTG-AEFFLSMTSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C(=O)NC[C@]1(C)CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216953 486976951 /nfs/dbraw/zinc/97/69/51/486976951.db2.gz BBGFJAHSFRRZTG-AEFFLSMTSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681219123 486977420 /nfs/dbraw/zinc/97/74/20/486977420.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681219123 486977424 /nfs/dbraw/zinc/97/74/24/486977424.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681219123 486977426 /nfs/dbraw/zinc/97/74/26/486977426.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 3 2 349.523 1.033 20 0 EDADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000681219123 486977429 /nfs/dbraw/zinc/97/74/29/486977429.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 3 2 349.523 1.033 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000677114643 486978342 /nfs/dbraw/zinc/97/83/42/486978342.db2.gz OWHWPCMGKXZRDH-HOTGVXAUSA-N 2 2 340.431 1.904 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000321374310 486991433 /nfs/dbraw/zinc/99/14/33/486991433.db2.gz MNJGVHFBXYWLFC-UHFFFAOYSA-N 2 2 335.839 1.326 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000321374310 486991434 /nfs/dbraw/zinc/99/14/34/486991434.db2.gz MNJGVHFBXYWLFC-UHFFFAOYSA-N 2 2 335.839 1.326 20 0 EDADLP Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000677248538 487019985 /nfs/dbraw/zinc/01/99/85/487019985.db2.gz ZEESGYZFICDESC-LLVKDONJSA-N 2 2 341.406 1.256 20 0 EDADLP Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000677248538 487019991 /nfs/dbraw/zinc/01/99/91/487019991.db2.gz ZEESGYZFICDESC-LLVKDONJSA-N 2 2 341.406 1.256 20 0 EDADLP CN(C(=O)c1nc2c(s1)CCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000667954400 487031144 /nfs/dbraw/zinc/03/11/44/487031144.db2.gz BJHPEVOGTXYZRK-CQSZACIVSA-N 2 2 348.516 1.872 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000684364957 487038955 /nfs/dbraw/zinc/03/89/55/487038955.db2.gz PATRTTCQZCGQAY-SFHVURJKSA-N 2 2 344.459 1.374 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000684364957 487038959 /nfs/dbraw/zinc/03/89/59/487038959.db2.gz PATRTTCQZCGQAY-SFHVURJKSA-N 2 2 344.459 1.374 20 0 EDADLP CN1CCC2(CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)C1=O ZINC000668072455 487089500 /nfs/dbraw/zinc/08/95/00/487089500.db2.gz GCHKIPPKIWUJKH-UHFFFAOYSA-N 2 2 325.416 1.712 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(O)cc3)C2)CC1 ZINC000673669416 487083671 /nfs/dbraw/zinc/08/36/71/487083671.db2.gz PBPCVDBJGFERCV-AWEZNQCLSA-N 2 2 333.432 1.056 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccc(O)cc3)C2)CC1 ZINC000673669416 487083676 /nfs/dbraw/zinc/08/36/76/487083676.db2.gz PBPCVDBJGFERCV-AWEZNQCLSA-N 2 2 333.432 1.056 20 0 EDADLP CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000673741202 487104725 /nfs/dbraw/zinc/10/47/25/487104725.db2.gz TUSYJQBVORRRAY-INIZCTEOSA-N 2 2 347.507 1.784 20 0 EDADLP CC(C)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000673741202 487104729 /nfs/dbraw/zinc/10/47/29/487104729.db2.gz TUSYJQBVORRRAY-INIZCTEOSA-N 2 2 347.507 1.784 20 0 EDADLP Cc1nc(N2CCC[N@H+](CCO)CC2)c(Br)c(C)[nH+]1 ZINC000323193843 487104733 /nfs/dbraw/zinc/10/47/33/487104733.db2.gz NHIMZTZMLLGJAC-UHFFFAOYSA-N 2 2 329.242 1.360 20 0 EDADLP Cc1nc(N2CCC[N@@H+](CCO)CC2)c(Br)c(C)[nH+]1 ZINC000323193843 487104738 /nfs/dbraw/zinc/10/47/38/487104738.db2.gz NHIMZTZMLLGJAC-UHFFFAOYSA-N 2 2 329.242 1.360 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCOC[C@@H]1C1CC1 ZINC000677986998 487220675 /nfs/dbraw/zinc/22/06/75/487220675.db2.gz AYPVMRNVGYZZAI-BHIYHBOVSA-N 2 2 347.503 1.573 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCOC[C@@H]1C1CC1 ZINC000677986998 487220678 /nfs/dbraw/zinc/22/06/78/487220678.db2.gz AYPVMRNVGYZZAI-BHIYHBOVSA-N 2 2 347.503 1.573 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCOC[C@@H]1C1CC1 ZINC000677986998 487220682 /nfs/dbraw/zinc/22/06/82/487220682.db2.gz AYPVMRNVGYZZAI-BHIYHBOVSA-N 2 2 347.503 1.573 20 0 EDADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCOC[C@@H]1C1CC1 ZINC000677986998 487220685 /nfs/dbraw/zinc/22/06/85/487220685.db2.gz AYPVMRNVGYZZAI-BHIYHBOVSA-N 2 2 347.503 1.573 20 0 EDADLP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H](C)[NH+](C)C)cc2)CC1 ZINC000674245637 487222735 /nfs/dbraw/zinc/22/27/35/487222735.db2.gz SPVRLLQSWQTCBL-INIZCTEOSA-N 2 2 332.492 1.390 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000682048167 487294863 /nfs/dbraw/zinc/29/48/63/487294863.db2.gz KATGVVBMZKYSRJ-ZDUSSCGKSA-N 2 2 331.420 1.643 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000682048167 487294869 /nfs/dbraw/zinc/29/48/69/487294869.db2.gz KATGVVBMZKYSRJ-ZDUSSCGKSA-N 2 2 331.420 1.643 20 0 EDADLP Cc1ncc([C@@H](C)[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C)n1 ZINC000682077069 487298183 /nfs/dbraw/zinc/29/81/83/487298183.db2.gz YZBNFMPCNLDYEP-OAHLLOKOSA-N 2 2 331.464 1.394 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000678666012 487349393 /nfs/dbraw/zinc/34/93/93/487349393.db2.gz YCQHBRHILNDCIY-GXTWGEPZSA-N 2 2 327.388 1.016 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678666012 487349398 /nfs/dbraw/zinc/34/93/98/487349398.db2.gz YCQHBRHILNDCIY-GXTWGEPZSA-N 2 2 327.388 1.016 20 0 EDADLP CN(C(=O)[C@@H]1CCc2nccn2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682498741 487376847 /nfs/dbraw/zinc/37/68/47/487376847.db2.gz GSVUSUXJTPRUCW-NVXWUHKLSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCc2nccn2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682498741 487376849 /nfs/dbraw/zinc/37/68/49/487376849.db2.gz GSVUSUXJTPRUCW-NVXWUHKLSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682498741 487376852 /nfs/dbraw/zinc/37/68/52/487376852.db2.gz GSVUSUXJTPRUCW-NVXWUHKLSA-N 3 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682498741 487376855 /nfs/dbraw/zinc/37/68/55/487376855.db2.gz GSVUSUXJTPRUCW-NVXWUHKLSA-N 3 2 345.491 1.072 20 0 EDADLP COc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CC[NH+](C)CC3)oc21 ZINC000678924256 487379482 /nfs/dbraw/zinc/37/94/82/487379482.db2.gz GYMMUINLFWGZNA-ZDUSSCGKSA-N 2 2 331.416 1.866 20 0 EDADLP C[C@H](C[C@@H]1CCOC1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000675430211 487406847 /nfs/dbraw/zinc/40/68/47/487406847.db2.gz GUJKIPYTCUKXOQ-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[C@@H]1CCOC1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000675430211 487406850 /nfs/dbraw/zinc/40/68/50/487406850.db2.gz GUJKIPYTCUKXOQ-CVEARBPZSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cccc(OCC[NH+](C)C)c1 ZINC000682915549 487430753 /nfs/dbraw/zinc/43/07/53/487430753.db2.gz ZIDJYILCRXFTBD-AWEZNQCLSA-N 2 2 345.447 1.600 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000675720171 487438404 /nfs/dbraw/zinc/43/84/04/487438404.db2.gz VKQLTCBXUPMXGS-ZDUSSCGKSA-N 2 2 332.439 1.842 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000675720171 487438406 /nfs/dbraw/zinc/43/84/06/487438406.db2.gz VKQLTCBXUPMXGS-ZDUSSCGKSA-N 2 2 332.439 1.842 20 0 EDADLP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782384 487443804 /nfs/dbraw/zinc/44/38/04/487443804.db2.gz QDZMPBSDLFHDLE-LBPRGKRZSA-N 2 2 325.840 1.773 20 0 EDADLP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000675913423 487459241 /nfs/dbraw/zinc/45/92/41/487459241.db2.gz UGPKUZNBBUCIKG-ZFWWWQNUSA-N 2 2 329.510 1.404 20 0 EDADLP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000675913423 487459245 /nfs/dbraw/zinc/45/92/45/487459245.db2.gz UGPKUZNBBUCIKG-ZFWWWQNUSA-N 2 2 329.510 1.404 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCO1 ZINC000669021129 485568191 /nfs/dbraw/zinc/56/81/91/485568191.db2.gz FYJCNNGRLOWJCH-ZBFHGGJFSA-N 2 2 347.463 1.330 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669024567 485574260 /nfs/dbraw/zinc/57/42/60/485574260.db2.gz ZZMGENRYRIPIJV-JKSUJKDBSA-N 2 2 329.448 1.575 20 0 EDADLP CCOc1ccc2c(c1)[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])CCO2 ZINC000669564345 485574819 /nfs/dbraw/zinc/57/48/19/485574819.db2.gz VPAJNNSJVRYDPF-BBRMVZONSA-N 2 2 348.447 1.193 20 0 EDADLP CCOc1ccc2c(c1)[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])CCO2 ZINC000669564345 485574821 /nfs/dbraw/zinc/57/48/21/485574821.db2.gz VPAJNNSJVRYDPF-BBRMVZONSA-N 2 2 348.447 1.193 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669565758 485575760 /nfs/dbraw/zinc/57/57/60/485575760.db2.gz RCJFWMBHLWWMNK-OWCLPIDISA-N 2 2 331.464 1.619 20 0 EDADLP C[C@@H](CNC(=O)NCCCNc1cccc[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046944187 485715461 /nfs/dbraw/zinc/71/54/61/485715461.db2.gz MLEOOGMTJZIHEQ-HRCADAONSA-N 2 2 349.479 1.681 20 0 EDADLP C[C@@H](CNC(=O)NCCCNc1cccc[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046944187 485715467 /nfs/dbraw/zinc/71/54/67/485715467.db2.gz MLEOOGMTJZIHEQ-HRCADAONSA-N 2 2 349.479 1.681 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3onc4c3CCCC4)C2)CC1 ZINC000668638887 485981906 /nfs/dbraw/zinc/98/19/06/485981906.db2.gz CETYAXSIYVPPJW-CYBMUJFWSA-N 2 2 332.448 1.452 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3onc4c3CCCC4)C2)CC1 ZINC000668638887 485981911 /nfs/dbraw/zinc/98/19/11/485981911.db2.gz CETYAXSIYVPPJW-CYBMUJFWSA-N 2 2 332.448 1.452 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000668657128 486004080 /nfs/dbraw/zinc/00/40/80/486004080.db2.gz MCKQABJNMRVZTG-IHRRRGAJSA-N 2 2 339.509 1.072 20 0 EDADLP Cc1cccc([C@H](CNC(=O)CC2([NH3+])CCC2)[NH+]2CCOCC2)c1 ZINC000237791902 486005405 /nfs/dbraw/zinc/00/54/05/486005405.db2.gz ZXHDIUJFNSSKJE-KRWDZBQOSA-N 2 2 331.460 1.756 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(C2CCC2)cnn1C ZINC000668690108 486051154 /nfs/dbraw/zinc/05/11/54/486051154.db2.gz SSDOMDSMONVYSX-UHFFFAOYSA-N 2 2 347.507 1.786 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(C2CCC2)cnn1C ZINC000668690108 486051160 /nfs/dbraw/zinc/05/11/60/486051160.db2.gz SSDOMDSMONVYSX-UHFFFAOYSA-N 2 2 347.507 1.786 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCO1 ZINC000669413123 486117978 /nfs/dbraw/zinc/11/79/78/486117978.db2.gz XULWPLHZLHWPMI-LRDDRELGSA-N 2 2 347.394 1.269 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@H]1CCCC[NH2+]1 ZINC000668745288 486119304 /nfs/dbraw/zinc/11/93/04/486119304.db2.gz HWSPMTXSXDDXRY-GOSISDBHSA-N 2 2 346.475 1.460 20 0 EDADLP C[C@H](NC(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000669463921 486215934 /nfs/dbraw/zinc/21/59/34/486215934.db2.gz GEGIULDBCNLJQU-KBPBESRZSA-N 2 2 332.448 1.198 20 0 EDADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000672708483 486236382 /nfs/dbraw/zinc/23/63/82/486236382.db2.gz QGDQVYIMBNTVBO-UHFFFAOYSA-N 2 2 348.495 1.045 20 0 EDADLP CN1CC[NH+](C(C)(C)CNC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000672708483 486236385 /nfs/dbraw/zinc/23/63/85/486236385.db2.gz QGDQVYIMBNTVBO-UHFFFAOYSA-N 2 2 348.495 1.045 20 0 EDADLP COc1ccc2[nH]cc(CCNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2c1 ZINC000669479127 486240089 /nfs/dbraw/zinc/24/00/89/486240089.db2.gz NHPSHUBELOFYOH-AWEZNQCLSA-N 2 2 345.447 1.003 20 0 EDADLP COc1ccc2[nH]cc(CCNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2c1 ZINC000669479127 486240092 /nfs/dbraw/zinc/24/00/92/486240092.db2.gz NHPSHUBELOFYOH-AWEZNQCLSA-N 2 2 345.447 1.003 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494901 486267695 /nfs/dbraw/zinc/26/76/95/486267695.db2.gz VARWMLZVPIOMGV-JZXOWHBKSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494901 486267700 /nfs/dbraw/zinc/26/77/00/486267700.db2.gz VARWMLZVPIOMGV-JZXOWHBKSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000672209740 486602327 /nfs/dbraw/zinc/60/23/27/486602327.db2.gz GZNITUFEBOWVLY-HUUCEWRRSA-N 2 2 332.448 1.084 20 0 EDADLP C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000126754770 491015625 /nfs/dbraw/zinc/01/56/25/491015625.db2.gz DSRCTDZEZMCYNL-RCBQFDQVSA-N 2 2 339.867 1.778 20 0 EDADLP C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000126754770 491015626 /nfs/dbraw/zinc/01/56/26/491015626.db2.gz DSRCTDZEZMCYNL-RCBQFDQVSA-N 2 2 339.867 1.778 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)C[N@@H+]1C1CC1 ZINC000178502426 533953999 /nfs/dbraw/zinc/95/39/99/533953999.db2.gz IQMVEDKIEFLSOR-HIFRSBDPSA-N 2 2 337.489 1.652 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)C[N@H+]1C1CC1 ZINC000178502426 533954009 /nfs/dbraw/zinc/95/40/09/533954009.db2.gz IQMVEDKIEFLSOR-HIFRSBDPSA-N 2 2 337.489 1.652 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000363379888 519679532 /nfs/dbraw/zinc/67/95/32/519679532.db2.gz YUZQJYUWNMVHRB-UHFFFAOYSA-N 2 2 328.420 1.503 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174336410 534672146 /nfs/dbraw/zinc/67/21/46/534672146.db2.gz LEHNTXXVPIZWHV-UONOGXRCSA-N 2 2 330.432 1.258 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174336410 534672150 /nfs/dbraw/zinc/67/21/50/534672150.db2.gz LEHNTXXVPIZWHV-UONOGXRCSA-N 2 2 330.432 1.258 20 0 EDADLP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132356971 534810099 /nfs/dbraw/zinc/81/00/99/534810099.db2.gz LNQZUJLVNJFHRR-MRXNPFEDSA-N 2 2 346.475 1.597 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188695284 525142113 /nfs/dbraw/zinc/14/21/13/525142113.db2.gz YFMWWPHQGFINHG-UHFFFAOYSA-N 2 2 339.443 1.322 20 0 EDADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263133444 535254094 /nfs/dbraw/zinc/25/40/94/535254094.db2.gz BXPITYFRSHULQT-TZMCWYRMSA-N 2 2 343.265 1.908 20 0 EDADLP CC[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000352667988 535446800 /nfs/dbraw/zinc/44/68/00/535446800.db2.gz ORGVOQBSPLGTDE-SFHVURJKSA-N 2 2 342.443 1.942 20 0 EDADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000077248982 535458381 /nfs/dbraw/zinc/45/83/81/535458381.db2.gz RRFADOLCSNBKJT-UHFFFAOYSA-N 2 2 332.448 2.000 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000077248982 535458389 /nfs/dbraw/zinc/45/83/89/535458389.db2.gz RRFADOLCSNBKJT-UHFFFAOYSA-N 2 2 332.448 2.000 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@@H]1Oc1ccccc1 ZINC000346659974 535503072 /nfs/dbraw/zinc/50/30/72/535503072.db2.gz NOAMLSHIPYEMFB-LULLPPNCSA-N 2 2 334.460 1.658 20 0 EDADLP CCOCCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000236869363 535541266 /nfs/dbraw/zinc/54/12/66/535541266.db2.gz RPPOZPQRIHTOMS-KRWDZBQOSA-N 2 2 330.432 1.344 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cscn3)CC2)CC1 ZINC000066568437 535612535 /nfs/dbraw/zinc/61/25/35/535612535.db2.gz RPKMCELICJDSMG-UHFFFAOYSA-N 2 2 336.505 1.909 20 0 EDADLP CCN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262662804 535692371 /nfs/dbraw/zinc/69/23/71/535692371.db2.gz OIFAAZPUTKAMTI-GOSISDBHSA-N 2 2 332.492 1.529 20 0 EDADLP CC[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262662804 535692381 /nfs/dbraw/zinc/69/23/81/535692381.db2.gz OIFAAZPUTKAMTI-GOSISDBHSA-N 2 2 332.492 1.529 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000340184133 535731224 /nfs/dbraw/zinc/73/12/24/535731224.db2.gz PXQQRXFVIHWFHI-ZFWWWQNUSA-N 2 2 334.493 1.571 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261977785 535916208 /nfs/dbraw/zinc/91/62/08/535916208.db2.gz IWGCPMONRWUCGV-HXUWFJFHSA-N 3 2 346.519 1.749 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000332091089 536019529 /nfs/dbraw/zinc/01/95/29/536019529.db2.gz VJUMNLJCXXURJQ-HNNXBMFYSA-N 2 2 348.472 1.660 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000352753843 536057383 /nfs/dbraw/zinc/05/73/83/536057383.db2.gz GGMNEAVXRRNJEF-AWEZNQCLSA-N 3 2 326.510 1.531 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000352753843 536057387 /nfs/dbraw/zinc/05/73/87/536057387.db2.gz GGMNEAVXRRNJEF-AWEZNQCLSA-N 3 2 326.510 1.531 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(OCC(N)=O)c2)s1 ZINC000352760921 536057728 /nfs/dbraw/zinc/05/77/28/536057728.db2.gz BNMXQOXWVIYEJI-UHFFFAOYSA-N 2 2 334.445 1.359 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2cn3ccccc3[nH+]2)[N@H+](C)C1 ZINC000345866833 536775646 /nfs/dbraw/zinc/77/56/46/536775646.db2.gz RBWRSLOJMKCVMM-LSDHHAIUSA-N 2 2 331.420 1.195 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2cn3ccccc3[nH+]2)[N@@H+](C)C1 ZINC000345866833 536775650 /nfs/dbraw/zinc/77/56/50/536775650.db2.gz RBWRSLOJMKCVMM-LSDHHAIUSA-N 2 2 331.420 1.195 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CCO)C3CC3)CC2)CC1 ZINC000741406560 579415490 /nfs/dbraw/zinc/41/54/90/579415490.db2.gz JTRFLHQHGOHKGG-QGZVFWFLSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[N@@H+]1C ZINC000741790754 579428871 /nfs/dbraw/zinc/42/88/71/579428871.db2.gz LDZRSJOMCGXVHX-DGCLKSJQSA-N 2 2 331.420 1.622 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[N@H+]1C ZINC000741790754 579428872 /nfs/dbraw/zinc/42/88/72/579428872.db2.gz LDZRSJOMCGXVHX-DGCLKSJQSA-N 2 2 331.420 1.622 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[NH+]1C ZINC000741790754 579428873 /nfs/dbraw/zinc/42/88/73/579428873.db2.gz LDZRSJOMCGXVHX-DGCLKSJQSA-N 2 2 331.420 1.622 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[NH+]1C ZINC000741790754 579428874 /nfs/dbraw/zinc/42/88/74/579428874.db2.gz LDZRSJOMCGXVHX-DGCLKSJQSA-N 2 2 331.420 1.622 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000743006578 579467412 /nfs/dbraw/zinc/46/74/12/579467412.db2.gz DQFPOGUJVSBMLR-HOTGVXAUSA-N 2 2 340.537 1.142 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNC(=S)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000743006578 579467414 /nfs/dbraw/zinc/46/74/14/579467414.db2.gz DQFPOGUJVSBMLR-HOTGVXAUSA-N 2 2 340.537 1.142 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)NCCc1ccccn1 ZINC000726132432 578334612 /nfs/dbraw/zinc/33/46/12/578334612.db2.gz ZNOPOGXCROTXBS-UHFFFAOYSA-N 2 2 349.548 1.456 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)NCCc1ccccn1 ZINC000726132432 578334614 /nfs/dbraw/zinc/33/46/14/578334614.db2.gz ZNOPOGXCROTXBS-UHFFFAOYSA-N 2 2 349.548 1.456 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000726259289 578340340 /nfs/dbraw/zinc/34/03/40/578340340.db2.gz ZUIWXBKTRLNLQU-KRWDZBQOSA-N 2 2 340.512 1.518 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000726259289 578340341 /nfs/dbraw/zinc/34/03/41/578340341.db2.gz ZUIWXBKTRLNLQU-KRWDZBQOSA-N 2 2 340.512 1.518 20 0 EDADLP COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000726797125 578361683 /nfs/dbraw/zinc/36/16/83/578361683.db2.gz USCQDKAJVLJLQQ-PKOBYXMFSA-N 2 2 344.455 1.811 20 0 EDADLP COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000726797125 578361685 /nfs/dbraw/zinc/36/16/85/578361685.db2.gz USCQDKAJVLJLQQ-PKOBYXMFSA-N 2 2 344.455 1.811 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)NCCc1cn2c([nH+]1)CCCC2 ZINC000727074825 578515398 /nfs/dbraw/zinc/51/53/98/578515398.db2.gz AZUCYHHADJYYMB-UHFFFAOYSA-N 2 2 337.537 1.814 20 0 EDADLP C[C@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)n1)N1CC[NH+](C)CC1 ZINC000729683661 578587347 /nfs/dbraw/zinc/58/73/47/578587347.db2.gz UAIRDDLEUCVSKH-CQSZACIVSA-N 2 2 348.882 1.646 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=S)NCC[NH+]1CCOCC1 ZINC000730731654 578656457 /nfs/dbraw/zinc/65/64/57/578656457.db2.gz IYYJSMOBSDVRTB-HUUCEWRRSA-N 2 2 328.526 1.046 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=S)NCC[NH+]1CCOCC1 ZINC000730731653 578656517 /nfs/dbraw/zinc/65/65/17/578656517.db2.gz IYYJSMOBSDVRTB-GJZGRUSLSA-N 2 2 328.526 1.046 20 0 EDADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000732308206 578704867 /nfs/dbraw/zinc/70/48/67/578704867.db2.gz UTYJJAOJNOYMSZ-GOSISDBHSA-N 2 2 333.476 1.835 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCSC(C)(C)C)C2)CC1 ZINC000734275668 578804337 /nfs/dbraw/zinc/80/43/37/578804337.db2.gz AONWKLSSTBFMLQ-CQSZACIVSA-N 2 2 342.553 1.986 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCSC(C)(C)C)C2)CC1 ZINC000734275668 578804338 /nfs/dbraw/zinc/80/43/38/578804338.db2.gz AONWKLSSTBFMLQ-CQSZACIVSA-N 2 2 342.553 1.986 20 0 EDADLP C[NH+](C)CCCNC(=S)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000734311065 578808623 /nfs/dbraw/zinc/80/86/23/578808623.db2.gz YLUJROPHFXCBOB-CQSZACIVSA-N 2 2 344.475 1.983 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000737044187 579043058 /nfs/dbraw/zinc/04/30/58/579043058.db2.gz MFTBDLGANISICS-CVEARBPZSA-N 2 2 349.479 1.513 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000737044187 579043059 /nfs/dbraw/zinc/04/30/59/579043059.db2.gz MFTBDLGANISICS-CVEARBPZSA-N 2 2 349.479 1.513 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=S)NCC[NH+](C)C)CC2)s1 ZINC000737453003 579093308 /nfs/dbraw/zinc/09/33/08/579093308.db2.gz SWWULBFUDXSYGD-UHFFFAOYSA-N 2 2 340.562 1.864 20 0 EDADLP O=c1oc2ccccc2n1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738112219 579160989 /nfs/dbraw/zinc/16/09/89/579160989.db2.gz UYCULKRXDMJNRZ-UHFFFAOYSA-N 2 2 345.443 1.986 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)NC4(CCCCCC4)C3=O)C2)CC1 ZINC000761301982 580054394 /nfs/dbraw/zinc/05/43/94/580054394.db2.gz JPMSVIBEYIYRMG-INIZCTEOSA-N 2 2 348.491 1.800 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)NC4(CCCCCC4)C3=O)C2)CC1 ZINC000761301982 580054395 /nfs/dbraw/zinc/05/43/95/580054395.db2.gz JPMSVIBEYIYRMG-INIZCTEOSA-N 2 2 348.491 1.800 20 0 EDADLP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCOCC1 ZINC000738438758 579189237 /nfs/dbraw/zinc/18/92/37/579189237.db2.gz CMIOSTUKOHIZQI-CVEARBPZSA-N 2 2 341.496 1.944 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000745699216 579558570 /nfs/dbraw/zinc/55/85/70/579558570.db2.gz WJOHPRWYHYZKEZ-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP [NH3+]CCCCCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000746298109 579585639 /nfs/dbraw/zinc/58/56/39/579585639.db2.gz USKJOPQZBVKSLO-UHFFFAOYSA-N 2 2 346.475 1.725 20 0 EDADLP CC(C)C[C@H](O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000747990189 579666140 /nfs/dbraw/zinc/66/61/40/579666140.db2.gz CZBVLIBLNLOYHK-KRWDZBQOSA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+](C)C1CCN(CCNC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000748950597 579707858 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Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000898963251 591618922 /nfs/dbraw/zinc/61/89/22/591618922.db2.gz YDGQTZUYYDFZIS-SFHVURJKSA-N 2 2 327.432 1.880 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000896839696 591628603 /nfs/dbraw/zinc/62/86/03/591628603.db2.gz CMVWJSBNDOCVII-KRWDZBQOSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c[nH+]1 ZINC000897055643 591724566 /nfs/dbraw/zinc/72/45/66/591724566.db2.gz BFDJHBNDWRWCQB-IRXDYDNUSA-N 2 2 348.491 1.811 20 0 EDADLP COc1ccccc1N1C(=O)C[C@H]([N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000899256363 591747708 /nfs/dbraw/zinc/74/77/08/591747708.db2.gz ZLYIIBDWXSYWLY-ZUEVXXBESA-N 2 2 343.427 1.211 20 0 EDADLP COc1ccccc1N1C(=O)C[C@H]([N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1=O ZINC000899256363 591747711 /nfs/dbraw/zinc/74/77/11/591747711.db2.gz ZLYIIBDWXSYWLY-ZUEVXXBESA-N 2 2 343.427 1.211 20 0 EDADLP COc1ccccc1N1C(=O)C[C@H]([NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1=O ZINC000899256363 591747713 /nfs/dbraw/zinc/74/77/13/591747713.db2.gz ZLYIIBDWXSYWLY-ZUEVXXBESA-N 2 2 343.427 1.211 20 0 EDADLP COc1ccccc1N1C(=O)C[C@H]([NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1=O ZINC000899256363 591747716 /nfs/dbraw/zinc/74/77/16/591747716.db2.gz ZLYIIBDWXSYWLY-ZUEVXXBESA-N 2 2 343.427 1.211 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+]([C@H]3CCC4(C[C@H]3F)OCCO4)CC2)C1 ZINC000895455988 591763809 /nfs/dbraw/zinc/76/38/09/591763809.db2.gz GDOSLVRCBIZOTM-OAGGEKHMSA-N 2 2 328.428 1.151 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+]([C@H]3CCC4(C[C@H]3F)OCCO4)CC2)C1 ZINC000895455988 591763812 /nfs/dbraw/zinc/76/38/12/591763812.db2.gz GDOSLVRCBIZOTM-OAGGEKHMSA-N 2 2 328.428 1.151 20 0 EDADLP CCCCNc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC000897220438 591775623 /nfs/dbraw/zinc/77/56/23/591775623.db2.gz BFUTUMNJYTXFDV-UONOGXRCSA-N 2 2 334.468 1.306 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)Nc2nc3c(s2)C[NH+](C)CC3)n[nH]1 ZINC000895484377 591778388 /nfs/dbraw/zinc/77/83/88/591778388.db2.gz WSLOUFNPABBKFI-ZDUSSCGKSA-N 2 2 346.460 1.873 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)Nc2nc3c(s2)C[NH+](C)CC3)n[nH]1 ZINC000895484377 591778391 /nfs/dbraw/zinc/77/83/91/591778391.db2.gz WSLOUFNPABBKFI-ZDUSSCGKSA-N 2 2 346.460 1.873 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)n[nH]1 ZINC000895484377 591778393 /nfs/dbraw/zinc/77/83/93/591778393.db2.gz WSLOUFNPABBKFI-ZDUSSCGKSA-N 2 2 346.460 1.873 20 0 EDADLP C[NH+]1CCC[C@H]1c1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)n[nH]1 ZINC000895484377 591778395 /nfs/dbraw/zinc/77/83/95/591778395.db2.gz WSLOUFNPABBKFI-ZDUSSCGKSA-N 2 2 346.460 1.873 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c[nH+]1 ZINC000895551914 591798686 /nfs/dbraw/zinc/79/86/86/591798686.db2.gz KYZXJHXLPUMRTO-HUUCEWRRSA-N 2 2 336.480 1.931 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nc(C(C)(C)C)co1 ZINC000898240365 591834494 /nfs/dbraw/zinc/83/44/94/591834494.db2.gz VOHFHSXBJNWNAS-UHFFFAOYSA-N 2 2 339.484 1.655 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nc(C(C)(C)C)co1 ZINC000898240365 591834498 /nfs/dbraw/zinc/83/44/98/591834498.db2.gz VOHFHSXBJNWNAS-UHFFFAOYSA-N 2 2 339.484 1.655 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000900061622 591890356 /nfs/dbraw/zinc/89/03/56/591890356.db2.gz HNEZYNWBCNKUKW-FUHWJXTLSA-N 2 2 328.416 1.003 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000900061622 591890358 /nfs/dbraw/zinc/89/03/58/591890358.db2.gz HNEZYNWBCNKUKW-FUHWJXTLSA-N 2 2 328.416 1.003 20 0 EDADLP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900141796 591916202 /nfs/dbraw/zinc/91/62/02/591916202.db2.gz QKDXTSSVFFUWGS-LJHODMEESA-N 2 2 331.460 1.005 20 0 EDADLP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900141796 591916205 /nfs/dbraw/zinc/91/62/05/591916205.db2.gz QKDXTSSVFFUWGS-LJHODMEESA-N 2 2 331.460 1.005 20 0 EDADLP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000900141796 591916208 /nfs/dbraw/zinc/91/62/08/591916208.db2.gz QKDXTSSVFFUWGS-LJHODMEESA-N 2 2 331.460 1.005 20 0 EDADLP C[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000900141796 591916210 /nfs/dbraw/zinc/91/62/10/591916210.db2.gz QKDXTSSVFFUWGS-LJHODMEESA-N 2 2 331.460 1.005 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H](O)Cc3ccccc3)nn2)CC1 ZINC000899714169 591917254 /nfs/dbraw/zinc/91/72/54/591917254.db2.gz PVSRRZOGVVPCGM-GOSISDBHSA-N 2 2 329.448 1.066 20 0 EDADLP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1=O ZINC000902183408 591933987 /nfs/dbraw/zinc/93/39/87/591933987.db2.gz RIKFZGOROGRCOE-WFASDCNBSA-N 2 2 332.404 1.155 20 0 EDADLP COc1c[nH]c(CO)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1=O ZINC000902183408 591933989 /nfs/dbraw/zinc/93/39/89/591933989.db2.gz RIKFZGOROGRCOE-WFASDCNBSA-N 2 2 332.404 1.155 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000899808094 591945324 /nfs/dbraw/zinc/94/53/24/591945324.db2.gz AKWAQSVXOIVOAR-LSDHHAIUSA-N 2 2 325.416 1.578 20 0 EDADLP C/C(=C\C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900339884 591988850 /nfs/dbraw/zinc/98/88/50/591988850.db2.gz SJRKTPSCSVAQJG-WLSWZUKCSA-N 2 2 337.508 1.892 20 0 EDADLP C/C(=C\C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900339884 591988852 /nfs/dbraw/zinc/98/88/52/591988852.db2.gz SJRKTPSCSVAQJG-WLSWZUKCSA-N 2 2 337.508 1.892 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000902444361 591996913 /nfs/dbraw/zinc/99/69/13/591996913.db2.gz NHRVNOBDYDCJCO-JBBXEZCESA-N 2 2 345.468 1.870 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)C12CC[NH+](CC1)C2 ZINC000900367349 591998321 /nfs/dbraw/zinc/99/83/21/591998321.db2.gz NSUNMRYGDAHDHD-UHFFFAOYSA-N 2 2 337.508 1.823 20 0 EDADLP O=S(=O)(CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)N1CCCC1 ZINC000902454701 591999099 /nfs/dbraw/zinc/99/90/99/591999099.db2.gz SQWRYOXIMGTLIO-SJORKVTESA-N 2 2 337.489 1.495 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)/C=C(\C)C[NH+]2CCOCC2)c1C ZINC000900444703 592028625 /nfs/dbraw/zinc/02/86/25/592028625.db2.gz NGUSRDFIEKCEKU-UKTHLTGXSA-N 2 2 333.432 1.602 20 0 EDADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cn(C)nn2)CC1 ZINC000902751450 592057500 /nfs/dbraw/zinc/05/75/00/592057500.db2.gz VFYBFQPEKBIEPM-MRXNPFEDSA-N 2 2 342.491 1.803 20 0 EDADLP C[NH+]1CCC([NH+]2CCC([NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC2)CC1 ZINC000902782914 592062274 /nfs/dbraw/zinc/06/22/74/592062274.db2.gz SHPOXMZZEJLTOH-WKWVNEEDSA-N 3 2 333.520 1.948 20 0 EDADLP c1ccc([C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C2CC2)nc1 ZINC000903098194 592120294 /nfs/dbraw/zinc/12/02/94/592120294.db2.gz LYNRMNDNZOOMFJ-MJGOQNOKSA-N 2 2 330.476 1.529 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000900846581 592146239 /nfs/dbraw/zinc/14/62/39/592146239.db2.gz IEIIPSKIRKSRMD-HNNXBMFYSA-N 2 2 327.432 1.771 20 0 EDADLP C[C@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000900846581 592146242 /nfs/dbraw/zinc/14/62/42/592146242.db2.gz IEIIPSKIRKSRMD-HNNXBMFYSA-N 2 2 327.432 1.771 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903300757 592153164 /nfs/dbraw/zinc/15/31/64/592153164.db2.gz JRIXHBCDNRRAIZ-WOSRLPQWSA-N 2 2 325.478 1.680 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000903300757 592153165 /nfs/dbraw/zinc/15/31/65/592153165.db2.gz JRIXHBCDNRRAIZ-WOSRLPQWSA-N 2 2 325.478 1.680 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426501 592167565 /nfs/dbraw/zinc/16/75/65/592167565.db2.gz MWJJBPNELFTHIU-HIFRSBDPSA-N 2 2 332.448 1.761 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426501 592167568 /nfs/dbraw/zinc/16/75/68/592167568.db2.gz MWJJBPNELFTHIU-HIFRSBDPSA-N 2 2 332.448 1.761 20 0 EDADLP CC(C)c1ccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000903567446 592213688 /nfs/dbraw/zinc/21/36/88/592213688.db2.gz BFNVISIYSXNSDW-UHFFFAOYSA-N 2 2 325.478 1.511 20 0 EDADLP CC1(C)C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@@H]1[NH3+] ZINC000903558996 592219655 /nfs/dbraw/zinc/21/96/55/592219655.db2.gz XSYVBYCHAWNSEY-KRWDZBQOSA-N 2 2 348.466 1.534 20 0 EDADLP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@@H]1[NH3+] ZINC000903558996 592219657 /nfs/dbraw/zinc/21/96/57/592219657.db2.gz XSYVBYCHAWNSEY-KRWDZBQOSA-N 2 2 348.466 1.534 20 0 EDADLP CN(C(=O)c1cccn1CC[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000906649651 592233900 /nfs/dbraw/zinc/23/39/00/592233900.db2.gz AAYCAPOIHZTXLC-KRWDZBQOSA-N 2 2 346.475 1.129 20 0 EDADLP CN(C(=O)c1cccn1CC[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000906649651 592233901 /nfs/dbraw/zinc/23/39/01/592233901.db2.gz AAYCAPOIHZTXLC-KRWDZBQOSA-N 2 2 346.475 1.129 20 0 EDADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC000904342334 592234414 /nfs/dbraw/zinc/23/44/14/592234414.db2.gz DJKDHPAAQPLWFK-SUHUHFCYSA-N 2 2 343.349 1.795 20 0 EDADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC000904342334 592234416 /nfs/dbraw/zinc/23/44/16/592234416.db2.gz DJKDHPAAQPLWFK-SUHUHFCYSA-N 2 2 343.349 1.795 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661695 592243776 /nfs/dbraw/zinc/24/37/76/592243776.db2.gz SVSSCJVSUXGFRF-IAGOWNOFSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661695 592243781 /nfs/dbraw/zinc/24/37/81/592243781.db2.gz SVSSCJVSUXGFRF-IAGOWNOFSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661695 592243787 /nfs/dbraw/zinc/24/37/87/592243787.db2.gz SVSSCJVSUXGFRF-IAGOWNOFSA-N 3 2 336.524 1.393 20 0 EDADLP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000906661695 592243791 /nfs/dbraw/zinc/24/37/91/592243791.db2.gz SVSSCJVSUXGFRF-IAGOWNOFSA-N 3 2 336.524 1.393 20 0 EDADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[NH+](C2CCC2)CC1 ZINC000906686340 592266408 /nfs/dbraw/zinc/26/64/08/592266408.db2.gz RBDNMESRFQQPGS-UHFFFAOYSA-N 2 2 346.475 1.131 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3cccc4c3OCCCO4)C[C@H]2[NH3+])c1 ZINC000904494709 592266706 /nfs/dbraw/zinc/26/67/06/592266706.db2.gz ICKRSJNJJWVZFQ-HUUCEWRRSA-N 2 2 328.416 1.508 20 0 EDADLP C/C(=C\C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000901189448 592270129 /nfs/dbraw/zinc/27/01/29/592270129.db2.gz KILCTQMAPVETQH-STTHAQSSSA-N 2 2 330.432 1.055 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000901205496 592286343 /nfs/dbraw/zinc/28/63/43/592286343.db2.gz PPCCGDKELPMSKN-LSDHHAIUSA-N 2 2 348.447 1.011 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000901205496 592286346 /nfs/dbraw/zinc/28/63/46/592286346.db2.gz PPCCGDKELPMSKN-LSDHHAIUSA-N 2 2 348.447 1.011 20 0 EDADLP C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903733689 592296901 /nfs/dbraw/zinc/29/69/01/592296901.db2.gz MJYGNPOFSNSUSB-WBVHZDCISA-N 2 2 338.473 1.291 20 0 EDADLP C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903733689 592296904 /nfs/dbraw/zinc/29/69/04/592296904.db2.gz MJYGNPOFSNSUSB-WBVHZDCISA-N 2 2 338.473 1.291 20 0 EDADLP Cn1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)nn1 ZINC000903767621 592310162 /nfs/dbraw/zinc/31/01/62/592310162.db2.gz XXVXOSJYRXTFJN-UHFFFAOYSA-N 2 2 329.452 1.385 20 0 EDADLP Cn1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)nn1 ZINC000903767621 592310165 /nfs/dbraw/zinc/31/01/65/592310165.db2.gz XXVXOSJYRXTFJN-UHFFFAOYSA-N 2 2 329.452 1.385 20 0 EDADLP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000901300237 592321104 /nfs/dbraw/zinc/32/11/04/592321104.db2.gz TXEYLZRDCBGTEC-GPANFISMSA-N 2 2 332.448 1.964 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903817967 592325132 /nfs/dbraw/zinc/32/51/32/592325132.db2.gz QWVXHHYDJNTEDI-UHFFFAOYSA-N 2 2 331.460 1.733 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903817967 592325138 /nfs/dbraw/zinc/32/51/38/592325138.db2.gz QWVXHHYDJNTEDI-UHFFFAOYSA-N 2 2 331.460 1.733 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000903850732 592344712 /nfs/dbraw/zinc/34/47/12/592344712.db2.gz YGIBTNSEAHPYMT-AABGKKOBSA-N 2 2 348.487 1.435 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000903850732 592344714 /nfs/dbraw/zinc/34/47/14/592344714.db2.gz YGIBTNSEAHPYMT-AABGKKOBSA-N 2 2 348.487 1.435 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@H]([NH3+])CC(F)F)CC2)C1 ZINC000903878475 592359205 /nfs/dbraw/zinc/35/92/05/592359205.db2.gz VPBZBIGZDYWJDZ-QLFBSQMISA-N 2 2 346.466 1.091 20 0 EDADLP FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903885597 592363469 /nfs/dbraw/zinc/36/34/69/592363469.db2.gz MSUOUQPJZOTPBT-GXTWGEPZSA-N 2 2 347.385 1.746 20 0 EDADLP FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903885597 592363475 /nfs/dbraw/zinc/36/34/75/592363475.db2.gz MSUOUQPJZOTPBT-GXTWGEPZSA-N 2 2 347.385 1.746 20 0 EDADLP CON1CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000905004148 592364175 /nfs/dbraw/zinc/36/41/75/592364175.db2.gz CIBXBZPTSLXFHJ-IAGOWNOFSA-N 2 2 328.416 1.993 20 0 EDADLP c1csc(N2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000903899454 592370884 /nfs/dbraw/zinc/37/08/84/592370884.db2.gz VILVKGYXJAEWTQ-AWEZNQCLSA-N 2 2 332.477 1.586 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCOC[C@@H]2c2ccccc2)cnn1C ZINC000903910368 592375318 /nfs/dbraw/zinc/37/53/18/592375318.db2.gz LWUSYGFAGYYFFJ-QFBILLFUSA-N 2 2 328.460 1.919 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCOC[C@@H]2c2ccccc2)cnn1C ZINC000903910368 592375321 /nfs/dbraw/zinc/37/53/21/592375321.db2.gz LWUSYGFAGYYFFJ-QFBILLFUSA-N 2 2 328.460 1.919 20 0 EDADLP O[C@@H](C[NH2+]Cc1cccnc1-n1cc[nH+]c1)C[C@H](O)c1ccccc1 ZINC000905041620 592376906 /nfs/dbraw/zinc/37/69/06/592376906.db2.gz SXAGPOXQVSQVRR-MSOLQXFVSA-N 2 2 338.411 1.842 20 0 EDADLP FC(F)(F)[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903937154 592387785 /nfs/dbraw/zinc/38/77/85/592387785.db2.gz CKCHWWSXYHQNGR-YPMHNXCESA-N 2 2 333.358 1.356 20 0 EDADLP FC(F)(F)[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903937154 592387791 /nfs/dbraw/zinc/38/77/91/592387791.db2.gz CKCHWWSXYHQNGR-YPMHNXCESA-N 2 2 333.358 1.356 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000905089128 592392791 /nfs/dbraw/zinc/39/27/91/592392791.db2.gz NJCSLJJTPMJSRC-RVKKMQEKSA-N 2 2 326.481 1.933 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000905089128 592392797 /nfs/dbraw/zinc/39/27/97/592392797.db2.gz NJCSLJJTPMJSRC-RVKKMQEKSA-N 2 2 326.481 1.933 20 0 EDADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956416 592395789 /nfs/dbraw/zinc/39/57/89/592395789.db2.gz LDJWCXJZLZHZJV-OLZOCXBDSA-N 2 2 332.416 1.683 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2([NH3+])CC2)C[C@H](C)O1 ZINC000904295940 592470664 /nfs/dbraw/zinc/47/06/64/592470664.db2.gz MHFOKWMVHXKNGF-KBPBESRZSA-N 2 2 332.448 1.909 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000905379602 592520124 /nfs/dbraw/zinc/52/01/24/592520124.db2.gz WLIFSCRUFPQUSA-UHFFFAOYSA-N 2 2 336.480 1.138 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)co2)C1 ZINC000907191999 592552804 /nfs/dbraw/zinc/55/28/04/592552804.db2.gz DVZYSQQXXRULBJ-IHRRRGAJSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)co2)C1 ZINC000907191999 592552805 /nfs/dbraw/zinc/55/28/05/592552805.db2.gz DVZYSQQXXRULBJ-IHRRRGAJSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3C[C@H](C)[N@H+](C)C[C@@H]3C)co2)C1 ZINC000907191999 592552806 /nfs/dbraw/zinc/55/28/06/592552806.db2.gz DVZYSQQXXRULBJ-IHRRRGAJSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3C[C@H](C)[N@@H+](C)C[C@@H]3C)co2)C1 ZINC000907191999 592552807 /nfs/dbraw/zinc/55/28/07/592552807.db2.gz DVZYSQQXXRULBJ-IHRRRGAJSA-N 2 2 336.436 1.060 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000905541408 592557099 /nfs/dbraw/zinc/55/70/99/592557099.db2.gz DOODHZUPNOCRLJ-GBRKPNRJSA-N 2 2 326.481 1.932 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000905541408 592557100 /nfs/dbraw/zinc/55/71/00/592557100.db2.gz DOODHZUPNOCRLJ-GBRKPNRJSA-N 2 2 326.481 1.932 20 0 EDADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)c1 ZINC000905525820 592561454 /nfs/dbraw/zinc/56/14/54/592561454.db2.gz RDBHUISGUSMAAQ-KRWDZBQOSA-N 2 2 338.452 1.513 20 0 EDADLP Cc1ccc(NCC[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)nc1 ZINC000905605853 592576483 /nfs/dbraw/zinc/57/64/83/592576483.db2.gz SRJYVFSJOYIFQA-SFHVURJKSA-N 2 2 328.460 1.884 20 0 EDADLP Cc1ccc(NCC[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)nc1 ZINC000905605853 592576484 /nfs/dbraw/zinc/57/64/84/592576484.db2.gz SRJYVFSJOYIFQA-SFHVURJKSA-N 2 2 328.460 1.884 20 0 EDADLP CN(C(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccccc1 ZINC000905619523 592587400 /nfs/dbraw/zinc/58/74/00/592587400.db2.gz NISIFNXPIJFRMZ-SFHVURJKSA-N 2 2 331.460 1.882 20 0 EDADLP CN(C(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1)c1ccccc1 ZINC000905619523 592587404 /nfs/dbraw/zinc/58/74/04/592587404.db2.gz NISIFNXPIJFRMZ-SFHVURJKSA-N 2 2 331.460 1.882 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000905656051 592598660 /nfs/dbraw/zinc/59/86/60/592598660.db2.gz CMDGOCMZMYEFSG-GJZGRUSLSA-N 2 2 328.526 1.046 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC000905656051 592598663 /nfs/dbraw/zinc/59/86/63/592598663.db2.gz CMDGOCMZMYEFSG-GJZGRUSLSA-N 2 2 328.526 1.046 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCCC[C@@]4(CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000905677816 592609540 /nfs/dbraw/zinc/60/95/40/592609540.db2.gz AHBVAACTLOIMTP-APWZRJJASA-N 2 2 345.491 1.655 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCCC[C@@]4(CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000905677816 592609541 /nfs/dbraw/zinc/60/95/41/592609541.db2.gz AHBVAACTLOIMTP-APWZRJJASA-N 2 2 345.491 1.655 20 0 EDADLP O=C(c1cccn1CC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000906523470 592840731 /nfs/dbraw/zinc/84/07/31/592840731.db2.gz PJGNRQVHFAFVFT-KRWDZBQOSA-N 2 2 346.475 1.131 20 0 EDADLP CC[N@@H+]1CCC[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906584473 592858389 /nfs/dbraw/zinc/85/83/89/592858389.db2.gz JSCAOUCUVLFDGQ-MRXNPFEDSA-N 2 2 334.464 1.034 20 0 EDADLP CC[N@H+]1CCC[C@@H](NC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906584473 592858391 /nfs/dbraw/zinc/85/83/91/592858391.db2.gz JSCAOUCUVLFDGQ-MRXNPFEDSA-N 2 2 334.464 1.034 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000910875669 592899285 /nfs/dbraw/zinc/89/92/85/592899285.db2.gz NPIHWFCCYIJRQL-MRXNPFEDSA-N 2 2 336.480 1.776 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000910875669 592899286 /nfs/dbraw/zinc/89/92/86/592899286.db2.gz NPIHWFCCYIJRQL-MRXNPFEDSA-N 2 2 336.480 1.776 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])Cc1ccn[nH]1)c1ccccc1 ZINC000911632695 592970490 /nfs/dbraw/zinc/97/04/90/592970490.db2.gz JGKCUXUWKXEGFU-IAGOWNOFSA-N 2 2 329.448 1.479 20 0 EDADLP [NH3+][C@@H](CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)C(F)F ZINC000911752862 592997900 /nfs/dbraw/zinc/99/79/00/592997900.db2.gz YIIIGFYRJZKSSA-PWSUYJOCSA-N 2 2 341.358 1.516 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1 ZINC000912374394 593091274 /nfs/dbraw/zinc/09/12/74/593091274.db2.gz NIYGAZBWEPQXQO-UYAOXDASSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1 ZINC000912374394 593091275 /nfs/dbraw/zinc/09/12/75/593091275.db2.gz NIYGAZBWEPQXQO-UYAOXDASSA-N 2 2 343.471 1.870 20 0 EDADLP CC(C)N(Cc1cccc(Br)c1)C(=O)C[NH2+]CC[NH3+] ZINC000912394098 593092506 /nfs/dbraw/zinc/09/25/06/593092506.db2.gz HUUYGRWEKDIKIV-UHFFFAOYSA-N 2 2 328.254 1.734 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000838096040 593123442 /nfs/dbraw/zinc/12/34/42/593123442.db2.gz YKNWBTHVMAFTSR-OAHLLOKOSA-N 2 2 342.447 1.893 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CC(F)F)C2)C[C@@H]1[NH+](C)C ZINC000867020902 593196167 /nfs/dbraw/zinc/19/61/67/593196167.db2.gz ODEJALGHLXLRLB-RWMBFGLXSA-N 2 2 335.464 1.468 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CC(F)F)C2)C[C@@H]1[NH+](C)C ZINC000867020902 593196169 /nfs/dbraw/zinc/19/61/69/593196169.db2.gz ODEJALGHLXLRLB-RWMBFGLXSA-N 2 2 335.464 1.468 20 0 EDADLP CCn1ncc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000838903551 593229399 /nfs/dbraw/zinc/22/93/99/593229399.db2.gz YWGULZBYKAJNPE-UHFFFAOYSA-N 2 2 328.464 1.335 20 0 EDADLP CCn1ncc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)n1 ZINC000838903551 593229401 /nfs/dbraw/zinc/22/94/01/593229401.db2.gz YWGULZBYKAJNPE-UHFFFAOYSA-N 2 2 328.464 1.335 20 0 EDADLP CO[C@@H]1C[C@@H]([N@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000840138800 593258562 /nfs/dbraw/zinc/25/85/62/593258562.db2.gz GFINDJZDHZTEKE-NUEKZKHPSA-N 2 2 332.448 1.583 20 0 EDADLP CO[C@@H]1C[C@@H]([N@@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C12CCC2 ZINC000840138800 593258564 /nfs/dbraw/zinc/25/85/64/593258564.db2.gz GFINDJZDHZTEKE-NUEKZKHPSA-N 2 2 332.448 1.583 20 0 EDADLP C[C@@]12C(=O)N(C[NH+]3CCC(n4cc[nH+]c4)CC3)C(=O)[C@H]1[C@@H]1CC[C@H]2C1 ZINC000840003553 593335023 /nfs/dbraw/zinc/33/50/23/593335023.db2.gz MTVOUQRKDBUDLY-DZASIIFFSA-N 2 2 342.443 1.899 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CN3C[C@@H](C)[C@H](C)C3=O)CC2)CC1 ZINC000840031525 593395904 /nfs/dbraw/zinc/39/59/04/593395904.db2.gz QXXCPEXGRBTQTF-SJORKVTESA-N 2 2 336.524 1.549 20 0 EDADLP Cc1cnn([C@@H]2CC[N@@H+](CN3C[C@H](c4c[nH+]cn4C)CC3=O)C2)c1 ZINC000811800037 593482689 /nfs/dbraw/zinc/48/26/89/593482689.db2.gz IDRUPQSCHYFGJR-HUUCEWRRSA-N 2 2 328.420 1.145 20 0 EDADLP Cc1cnn([C@@H]2CC[N@H+](CN3C[C@H](c4c[nH+]cn4C)CC3=O)C2)c1 ZINC000811800037 593482690 /nfs/dbraw/zinc/48/26/90/593482690.db2.gz IDRUPQSCHYFGJR-HUUCEWRRSA-N 2 2 328.420 1.145 20 0 EDADLP CS(=O)(=O)CCOCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000812835120 593510455 /nfs/dbraw/zinc/51/04/55/593510455.db2.gz MKVYZPXIRZPMSV-UHFFFAOYSA-N 2 2 346.415 1.054 20 0 EDADLP COCCCN(C(=O)c1cccc2[nH+]ccn21)C1CC[NH+](C)CC1 ZINC000813291188 593524324 /nfs/dbraw/zinc/52/43/24/593524324.db2.gz CVVZUICKLNQAEB-UHFFFAOYSA-N 2 2 330.432 1.907 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(CO)on1 ZINC000813322403 593525978 /nfs/dbraw/zinc/52/59/78/593525978.db2.gz BTFDMKMQCOSWRC-CQSZACIVSA-N 2 2 331.416 1.850 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(F)nc3)CC2)CC1 ZINC000817658401 593620473 /nfs/dbraw/zinc/62/04/73/593620473.db2.gz ANPHQKQPWMEEFU-UHFFFAOYSA-N 2 2 334.439 1.853 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(F)nc3)CC2)CC1 ZINC000817658401 593620474 /nfs/dbraw/zinc/62/04/74/593620474.db2.gz ANPHQKQPWMEEFU-UHFFFAOYSA-N 2 2 334.439 1.853 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000819078565 593737493 /nfs/dbraw/zinc/73/74/93/593737493.db2.gz JSUJBWNJOKVYIE-LSDHHAIUSA-N 2 2 329.485 1.678 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000820091843 593790177 /nfs/dbraw/zinc/79/01/77/593790177.db2.gz BHOKFEGDEQAXOG-LBPRGKRZSA-N 2 2 336.465 1.375 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000820091843 593790178 /nfs/dbraw/zinc/79/01/78/593790178.db2.gz BHOKFEGDEQAXOG-LBPRGKRZSA-N 2 2 336.465 1.375 20 0 EDADLP CCn1nc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)n1 ZINC000823659787 593827518 /nfs/dbraw/zinc/82/75/18/593827518.db2.gz TWXQRZPGKHOHDV-UHFFFAOYSA-N 2 2 343.479 1.433 20 0 EDADLP Cc1ccc2c(c1)C=C(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO2 ZINC000824432453 594010648 /nfs/dbraw/zinc/01/06/48/594010648.db2.gz UQKTUWCLQKNYMA-UHFFFAOYSA-N 2 2 331.460 1.771 20 0 EDADLP Cc1ccc2c(c1)C=C(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CO2 ZINC000824432453 594010652 /nfs/dbraw/zinc/01/06/52/594010652.db2.gz UQKTUWCLQKNYMA-UHFFFAOYSA-N 2 2 331.460 1.771 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000821374288 594031169 /nfs/dbraw/zinc/03/11/69/594031169.db2.gz NURPYKJWIMSKFV-KRWDZBQOSA-N 2 2 349.475 1.894 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000821374288 594031172 /nfs/dbraw/zinc/03/11/72/594031172.db2.gz NURPYKJWIMSKFV-KRWDZBQOSA-N 2 2 349.475 1.894 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000821374288 594031175 /nfs/dbraw/zinc/03/11/75/594031175.db2.gz NURPYKJWIMSKFV-KRWDZBQOSA-N 2 2 349.475 1.894 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000821374288 594031178 /nfs/dbraw/zinc/03/11/78/594031178.db2.gz NURPYKJWIMSKFV-KRWDZBQOSA-N 2 2 349.475 1.894 20 0 EDADLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576639 594041266 /nfs/dbraw/zinc/04/12/66/594041266.db2.gz BYDKUUZZJCUPOY-LRDDRELGSA-N 2 2 332.477 1.955 20 0 EDADLP COC(=O)CC[C@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000822727799 594092589 /nfs/dbraw/zinc/09/25/89/594092589.db2.gz FXXKHBYAOPSMBF-AWEZNQCLSA-N 2 2 341.371 1.934 20 0 EDADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822930833 594123930 /nfs/dbraw/zinc/12/39/30/594123930.db2.gz IYMWTKMOJPAILJ-HOTGVXAUSA-N 2 2 349.475 1.793 20 0 EDADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822930833 594123931 /nfs/dbraw/zinc/12/39/31/594123931.db2.gz IYMWTKMOJPAILJ-HOTGVXAUSA-N 2 2 349.475 1.793 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000825180222 594142818 /nfs/dbraw/zinc/14/28/18/594142818.db2.gz KBSAXSQQXCVCNL-FUHWJXTLSA-N 2 2 330.476 1.104 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[NH2+]2)c1 ZINC000825208768 594148131 /nfs/dbraw/zinc/14/81/31/594148131.db2.gz QURNGMKONJTHDS-BFYDXBDKSA-N 2 2 326.400 1.695 20 0 EDADLP CCOC(=O)[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C(C)C ZINC000825266981 594158745 /nfs/dbraw/zinc/15/87/45/594158745.db2.gz GPYXEUAZDGJHJO-MRXNPFEDSA-N 2 2 348.447 1.607 20 0 EDADLP CSc1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000823371647 594193592 /nfs/dbraw/zinc/19/35/92/594193592.db2.gz ZRXDAHFOOMVUNY-UHFFFAOYSA-N 2 2 325.482 1.809 20 0 EDADLP CSc1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000823371647 594193593 /nfs/dbraw/zinc/19/35/93/594193593.db2.gz ZRXDAHFOOMVUNY-UHFFFAOYSA-N 2 2 325.482 1.809 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000827666693 594254377 /nfs/dbraw/zinc/25/43/77/594254377.db2.gz WBCVOIQGSZZPGO-KRWDZBQOSA-N 2 2 341.496 1.106 20 0 EDADLP C[C@]1(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1(Cl)Cl ZINC000827675488 594255946 /nfs/dbraw/zinc/25/59/46/594255946.db2.gz TWFQDNGWECCVMD-CQSZACIVSA-N 2 2 334.291 1.810 20 0 EDADLP [NH3+][C@H](CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC1 ZINC000827712692 594263476 /nfs/dbraw/zinc/26/34/76/594263476.db2.gz LRBXEGWIQJBSBJ-GOSISDBHSA-N 2 2 347.459 1.141 20 0 EDADLP [NH3+]Cc1cccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000825885286 594268326 /nfs/dbraw/zinc/26/83/26/594268326.db2.gz KUFWLVNXPZANDO-UHFFFAOYSA-N 2 2 339.439 1.982 20 0 EDADLP C[N@H+](CCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(Cl)cc21)C1CC1 ZINC000825941906 594287112 /nfs/dbraw/zinc/28/71/12/594287112.db2.gz QZODRAMDHZOBCX-UHFFFAOYSA-N 2 2 343.822 1.996 20 0 EDADLP C[N@@H+](CCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(Cl)cc21)C1CC1 ZINC000825941906 594287114 /nfs/dbraw/zinc/28/71/14/594287114.db2.gz QZODRAMDHZOBCX-UHFFFAOYSA-N 2 2 343.822 1.996 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1-c1nn[nH]n1 ZINC000826193256 594371716 /nfs/dbraw/zinc/37/17/16/594371716.db2.gz XBPBGQFJMAAOJR-CQSZACIVSA-N 2 2 330.436 1.649 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1-c1nn[nH]n1 ZINC000826193256 594371719 /nfs/dbraw/zinc/37/17/19/594371719.db2.gz XBPBGQFJMAAOJR-CQSZACIVSA-N 2 2 330.436 1.649 20 0 EDADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1-c1nn[nH]n1 ZINC000826193256 594371721 /nfs/dbraw/zinc/37/17/21/594371721.db2.gz XBPBGQFJMAAOJR-CQSZACIVSA-N 2 2 330.436 1.649 20 0 EDADLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1-c1nn[nH]n1 ZINC000826193256 594371725 /nfs/dbraw/zinc/37/17/25/594371725.db2.gz XBPBGQFJMAAOJR-CQSZACIVSA-N 2 2 330.436 1.649 20 0 EDADLP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(-c2nn[nH]n2)n1 ZINC000826516092 594514366 /nfs/dbraw/zinc/51/43/66/594514366.db2.gz WOCOMTIEYFSKAU-PBHICJAKSA-N 2 2 339.447 1.710 20 0 EDADLP c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(-c2nn[nH]n2)n1 ZINC000826516092 594514369 /nfs/dbraw/zinc/51/43/69/594514369.db2.gz WOCOMTIEYFSKAU-PBHICJAKSA-N 2 2 339.447 1.710 20 0 EDADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000826677848 594553301 /nfs/dbraw/zinc/55/33/01/594553301.db2.gz PVCLSMKBKKJQIV-LBPRGKRZSA-N 2 2 345.451 1.138 20 0 EDADLP C[N@H+](CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)[C@H]1CCSC1 ZINC000829059495 594559854 /nfs/dbraw/zinc/55/98/54/594559854.db2.gz NYNLMQKYTFSSRZ-HOTGVXAUSA-N 2 2 346.500 1.830 20 0 EDADLP C[N@@H+](CC(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)[C@H]1CCSC1 ZINC000829059495 594559856 /nfs/dbraw/zinc/55/98/56/594559856.db2.gz NYNLMQKYTFSSRZ-HOTGVXAUSA-N 2 2 346.500 1.830 20 0 EDADLP [NH3+][C@H](CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000829359098 594601969 /nfs/dbraw/zinc/60/19/69/594601969.db2.gz WOXKOLCSJXVMBN-ZWKOTPCHSA-N 2 2 331.460 1.174 20 0 EDADLP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1(C)C ZINC000831392057 594621925 /nfs/dbraw/zinc/62/19/25/594621925.db2.gz FLRCMPDJJZCXBJ-FHLIZLRMSA-N 2 2 349.475 1.573 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)OCc2ccccc2)CC1 ZINC000832544449 594757865 /nfs/dbraw/zinc/75/78/65/594757865.db2.gz NXWGUUZECPKUMH-UHFFFAOYSA-N 2 2 333.476 1.736 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000841673090 594933792 /nfs/dbraw/zinc/93/37/92/594933792.db2.gz WUMUWNGDSLWGQD-OAHLLOKOSA-N 2 2 330.436 1.782 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000836235788 594941156 /nfs/dbraw/zinc/94/11/56/594941156.db2.gz SMVSATYIAXAUJI-INIZCTEOSA-N 2 2 343.431 1.768 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000841850055 594965128 /nfs/dbraw/zinc/96/51/28/594965128.db2.gz WAGKWPGVGZDRQN-KRWDZBQOSA-N 3 2 339.528 1.317 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000841850055 594965130 /nfs/dbraw/zinc/96/51/30/594965130.db2.gz WAGKWPGVGZDRQN-KRWDZBQOSA-N 3 2 339.528 1.317 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)NCC1([NH3+])CCC1 ZINC000841966691 594991059 /nfs/dbraw/zinc/99/10/59/594991059.db2.gz FVOGLSTWSZMIHO-UHFFFAOYSA-N 2 2 340.512 1.792 20 0 EDADLP CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC000843356206 595086458 /nfs/dbraw/zinc/08/64/58/595086458.db2.gz HDJDBENYENBEIY-INIZCTEOSA-N 2 2 346.475 1.393 20 0 EDADLP CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H]1CC[NH2+]C1 ZINC000843356206 595086461 /nfs/dbraw/zinc/08/64/61/595086461.db2.gz HDJDBENYENBEIY-INIZCTEOSA-N 2 2 346.475 1.393 20 0 EDADLP COc1ccc2c(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc(=O)oc2c1 ZINC000843385183 595095936 /nfs/dbraw/zinc/09/59/36/595095936.db2.gz CFWAPCFSSDQEAQ-HNNXBMFYSA-N 2 2 343.427 1.281 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000867400631 595101723 /nfs/dbraw/zinc/10/17/23/595101723.db2.gz DBPIYBPMYIEWAX-RDJZCZTQSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842478585 595115814 /nfs/dbraw/zinc/11/58/14/595115814.db2.gz KXNNJFBRVGTTKN-WOPDTQHZSA-N 2 2 331.420 1.512 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842478585 595115815 /nfs/dbraw/zinc/11/58/15/595115815.db2.gz KXNNJFBRVGTTKN-WOPDTQHZSA-N 2 2 331.420 1.512 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](c3cccnc3)C2)C1 ZINC000842629825 595150399 /nfs/dbraw/zinc/15/03/99/595150399.db2.gz XYVCBMHETVYLJL-JKSUJKDBSA-N 2 2 325.416 1.578 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](c3cccnc3)C2)C1 ZINC000842629825 595150400 /nfs/dbraw/zinc/15/04/00/595150400.db2.gz XYVCBMHETVYLJL-JKSUJKDBSA-N 2 2 325.416 1.578 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCc1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000846134779 595154025 /nfs/dbraw/zinc/15/40/25/595154025.db2.gz FQOJSRUZPRVOPM-YJBOKZPZSA-N 2 2 340.431 1.538 20 0 EDADLP COC[C@H](C[N@@H+]1CCO[C@@H](C)C1)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000842968646 595249962 /nfs/dbraw/zinc/24/99/62/595249962.db2.gz VNYTVHQLADTCGR-YOEHRIQHSA-N 2 2 340.464 1.140 20 0 EDADLP COC[C@H](C[N@H+]1CCO[C@@H](C)C1)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000842968646 595249963 /nfs/dbraw/zinc/24/99/63/595249963.db2.gz VNYTVHQLADTCGR-YOEHRIQHSA-N 2 2 340.464 1.140 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000843092470 595285697 /nfs/dbraw/zinc/28/56/97/595285697.db2.gz KCFLVBXCRASXGI-SFHVURJKSA-N 2 2 348.491 1.518 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000843092470 595285698 /nfs/dbraw/zinc/28/56/98/595285698.db2.gz KCFLVBXCRASXGI-SFHVURJKSA-N 2 2 348.491 1.518 20 0 EDADLP COc1ccccc1[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1[nH+]ccn1C ZINC000844167588 595289312 /nfs/dbraw/zinc/28/93/12/595289312.db2.gz KTCCVDJVNGDGQW-LSDHHAIUSA-N 2 2 328.416 1.632 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000843124809 595293116 /nfs/dbraw/zinc/29/31/16/595293116.db2.gz HIFAXNUKCYTKPZ-AEFFLSMTSA-N 3 2 327.432 1.596 20 0 EDADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1N1CCSCC1 ZINC000846674203 595298671 /nfs/dbraw/zinc/29/86/71/595298671.db2.gz VEZPDOZVFCZKBD-HNNXBMFYSA-N 2 2 336.505 1.766 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000844221350 595306232 /nfs/dbraw/zinc/30/62/32/595306232.db2.gz WVSJJYZYLSKBHE-GOSISDBHSA-N 2 2 332.448 1.179 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000846813188 595320321 /nfs/dbraw/zinc/32/03/21/595320321.db2.gz YYLAQPODQPQPQM-UYAOXDASSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000846813188 595320323 /nfs/dbraw/zinc/32/03/23/595320323.db2.gz YYLAQPODQPQPQM-UYAOXDASSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000846813188 595320325 /nfs/dbraw/zinc/32/03/25/595320325.db2.gz YYLAQPODQPQPQM-UYAOXDASSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000846813188 595320327 /nfs/dbraw/zinc/32/03/27/595320327.db2.gz YYLAQPODQPQPQM-UYAOXDASSA-N 2 2 349.519 1.753 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000846990974 595347628 /nfs/dbraw/zinc/34/76/28/595347628.db2.gz GZNZRCBPYBUHFW-CQSZACIVSA-N 2 2 327.856 1.891 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000846990974 595347630 /nfs/dbraw/zinc/34/76/30/595347630.db2.gz GZNZRCBPYBUHFW-CQSZACIVSA-N 2 2 327.856 1.891 20 0 EDADLP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H](O)C[NH+]1CCCC1 ZINC000847070394 595359281 /nfs/dbraw/zinc/35/92/81/595359281.db2.gz PTDKTFLLWGNHLX-CYBMUJFWSA-N 2 2 328.359 1.897 20 0 EDADLP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H](O)C[NH+]1CCCC1 ZINC000847070394 595359285 /nfs/dbraw/zinc/35/92/85/595359285.db2.gz PTDKTFLLWGNHLX-CYBMUJFWSA-N 2 2 328.359 1.897 20 0 EDADLP COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(n3cc[nH+]c3)CC1)C2=O ZINC000844695973 595375735 /nfs/dbraw/zinc/37/57/35/595375735.db2.gz YWLMJPAIMXQTEI-UHFFFAOYSA-N 2 2 340.383 1.782 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000847311545 595393777 /nfs/dbraw/zinc/39/37/77/595393777.db2.gz YFYYTGYXCBTQND-AWEZNQCLSA-N 2 2 327.432 1.979 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000847311545 595393780 /nfs/dbraw/zinc/39/37/80/595393780.db2.gz YFYYTGYXCBTQND-AWEZNQCLSA-N 2 2 327.432 1.979 20 0 EDADLP O=C1O[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CN1C1CC1 ZINC000848568941 595406498 /nfs/dbraw/zinc/40/64/98/595406498.db2.gz AZGUEEQHUGDKEY-CYBMUJFWSA-N 2 2 335.370 1.976 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852857147 595577901 /nfs/dbraw/zinc/57/79/01/595577901.db2.gz KHQRQJFMSMTWKR-CQSZACIVSA-N 2 2 339.321 1.426 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)C=C3CC[NH2+]CC3)c2)CC1 ZINC000852872373 595591297 /nfs/dbraw/zinc/59/12/97/595591297.db2.gz FJPXUHKLKJFQLP-UHFFFAOYSA-N 2 2 328.460 1.682 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000853048212 595649501 /nfs/dbraw/zinc/64/95/01/595649501.db2.gz HRNRBUVABCORCH-QGZVFWFLSA-N 2 2 348.516 1.057 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000853048212 595649502 /nfs/dbraw/zinc/64/95/02/595649502.db2.gz HRNRBUVABCORCH-QGZVFWFLSA-N 2 2 348.516 1.057 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000858499683 595811053 /nfs/dbraw/zinc/81/10/53/595811053.db2.gz LXSWUNGIUKMCJQ-AWEZNQCLSA-N 2 2 333.436 1.224 20 0 EDADLP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000850354177 595816737 /nfs/dbraw/zinc/81/67/37/595816737.db2.gz XDKJPYBELUMNAL-BRWVUGGUSA-N 2 2 330.432 1.923 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000858546916 595824313 /nfs/dbraw/zinc/82/43/13/595824313.db2.gz BCOJLOWVPPNZDW-MGPQQGTHSA-N 2 2 334.407 1.400 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000858546916 595824315 /nfs/dbraw/zinc/82/43/15/595824315.db2.gz BCOJLOWVPPNZDW-MGPQQGTHSA-N 2 2 334.407 1.400 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000850385458 595824697 /nfs/dbraw/zinc/82/46/97/595824697.db2.gz HFKBQACBTISRTL-KFWWJZLASA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000850385458 595824701 /nfs/dbraw/zinc/82/47/01/595824701.db2.gz HFKBQACBTISRTL-KFWWJZLASA-N 2 2 339.480 1.695 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000851655574 595869434 /nfs/dbraw/zinc/86/94/34/595869434.db2.gz WYWQGDUXPVYLGC-WFASDCNBSA-N 2 2 331.420 1.425 20 0 EDADLP CCCCCC[N@H+](C)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000111613779 595888781 /nfs/dbraw/zinc/88/87/81/595888781.db2.gz WKHOOODKMHLIKV-UHFFFAOYSA-N 2 2 335.496 1.576 20 0 EDADLP CCCCCC[N@@H+](C)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000111613779 595888783 /nfs/dbraw/zinc/88/87/83/595888783.db2.gz WKHOOODKMHLIKV-UHFFFAOYSA-N 2 2 335.496 1.576 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](C)CO1 ZINC000853823735 595892766 /nfs/dbraw/zinc/89/27/66/595892766.db2.gz IKCFHPDVNRIINU-JJXSEGSLSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](C)CO1 ZINC000853823735 595892768 /nfs/dbraw/zinc/89/27/68/595892768.db2.gz IKCFHPDVNRIINU-JJXSEGSLSA-N 2 2 326.485 1.268 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851771793 595916661 /nfs/dbraw/zinc/91/66/61/595916661.db2.gz PALADXQCYVTDSA-HUUCEWRRSA-N 2 2 327.469 1.506 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC000851771793 595916663 /nfs/dbraw/zinc/91/66/63/595916663.db2.gz PALADXQCYVTDSA-HUUCEWRRSA-N 2 2 327.469 1.506 20 0 EDADLP Cc1nc2sccn2c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000859337996 596055257 /nfs/dbraw/zinc/05/52/57/596055257.db2.gz XJYKAXVNFAREOX-CYBMUJFWSA-N 2 2 347.488 1.603 20 0 EDADLP Cc1nc2sccn2c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000859337996 596055259 /nfs/dbraw/zinc/05/52/59/596055259.db2.gz XJYKAXVNFAREOX-CYBMUJFWSA-N 2 2 347.488 1.603 20 0 EDADLP CN(Cc1cn(C)nc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000857046042 596147840 /nfs/dbraw/zinc/14/78/40/596147840.db2.gz FQSDFDJYAOMZBT-HNNXBMFYSA-N 2 2 325.888 1.674 20 0 EDADLP CN(Cc1cn(C)nc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000857046042 596147842 /nfs/dbraw/zinc/14/78/42/596147842.db2.gz FQSDFDJYAOMZBT-HNNXBMFYSA-N 2 2 325.888 1.674 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000864520235 596253346 /nfs/dbraw/zinc/25/33/46/596253346.db2.gz OGTGYKBNBCUCAL-UYZDIKGJSA-N 2 2 333.432 1.421 20 0 EDADLP CC[C@H](C(=O)N1Cc2ccc[nH+]c2N2C[C@@H](OC)C[C@@H]2C1)[NH+](C)C ZINC000870537250 596275824 /nfs/dbraw/zinc/27/58/24/596275824.db2.gz KLMSBVQEECTJPM-OWCLPIDISA-N 2 2 332.448 1.358 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000866659574 596283536 /nfs/dbraw/zinc/28/35/36/596283536.db2.gz OAGPAMTXHGLLPD-JTQLQIEISA-N 2 2 331.247 1.675 20 0 EDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000866659574 596283540 /nfs/dbraw/zinc/28/35/40/596283540.db2.gz OAGPAMTXHGLLPD-JTQLQIEISA-N 2 2 331.247 1.675 20 0 EDADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000866666964 596285202 /nfs/dbraw/zinc/28/52/02/596285202.db2.gz YYXHGJYWFUZQNB-ZWKOTPCHSA-N 2 2 330.476 1.692 20 0 EDADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000864688704 596309103 /nfs/dbraw/zinc/30/91/03/596309103.db2.gz FJGBSIVPBGTYOR-INIZCTEOSA-N 2 2 332.379 1.317 20 0 EDADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000864688704 596309107 /nfs/dbraw/zinc/30/91/07/596309107.db2.gz FJGBSIVPBGTYOR-INIZCTEOSA-N 2 2 332.379 1.317 20 0 EDADLP C/C(=C/C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1cnccn1 ZINC000870665473 596314719 /nfs/dbraw/zinc/31/47/19/596314719.db2.gz VFQAEWSVUCVBRL-KAMYIIQDSA-N 2 2 338.415 1.665 20 0 EDADLP C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1ccccn1 ZINC000870666995 596316067 /nfs/dbraw/zinc/31/60/67/596316067.db2.gz PFEADPOKNQXRTB-CQSZACIVSA-N 2 2 325.416 1.971 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870888297 596391234 /nfs/dbraw/zinc/39/12/34/596391234.db2.gz LSDDVFLPOBSHOZ-LYGPFTKASA-N 2 2 328.460 1.819 20 0 EDADLP C[NH+]1CCC(CNC(=O)CC[NH2+]CC2CC2)([NH+]2CCCCC2)CC1 ZINC000870894412 596393478 /nfs/dbraw/zinc/39/34/78/596393478.db2.gz SEPODILPZVFLKS-UHFFFAOYSA-N 3 2 336.524 1.443 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000864941144 596422641 /nfs/dbraw/zinc/42/26/41/596422641.db2.gz CAUWNNISMOKROF-LIMHQNJXSA-N 2 2 335.423 1.433 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)C2)c1 ZINC000870977632 596424627 /nfs/dbraw/zinc/42/46/27/596424627.db2.gz IGLBDJLOHDTKGP-LXZJYRNTSA-N 2 2 343.471 1.439 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)C2)c1 ZINC000870977632 596424632 /nfs/dbraw/zinc/42/46/32/596424632.db2.gz IGLBDJLOHDTKGP-LXZJYRNTSA-N 2 2 343.471 1.439 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](C)[NH2+]C3CC3)C2)cc1 ZINC000870978762 596425954 /nfs/dbraw/zinc/42/59/54/596425954.db2.gz BGKSJHLZFANNTN-CRAIPNDOSA-N 2 2 331.460 1.453 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](C)[NH2+]C3CC3)C2)cc1 ZINC000870978762 596425956 /nfs/dbraw/zinc/42/59/56/596425956.db2.gz BGKSJHLZFANNTN-CRAIPNDOSA-N 2 2 331.460 1.453 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@]3(F)CC[NH2+]C3)C2)cc1 ZINC000870979374 596426413 /nfs/dbraw/zinc/42/64/13/596426413.db2.gz JLDRNISODLFWGL-WMZOPIPTSA-N 2 2 335.423 1.014 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@]3(F)CC[NH2+]C3)C2)cc1 ZINC000870979374 596426416 /nfs/dbraw/zinc/42/64/16/596426416.db2.gz JLDRNISODLFWGL-WMZOPIPTSA-N 2 2 335.423 1.014 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2)cc1 ZINC000870979507 596426727 /nfs/dbraw/zinc/42/67/27/596426727.db2.gz MYMOYSLLKDFPMS-GUDVDZBRSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)C2)cc1 ZINC000870979507 596426730 /nfs/dbraw/zinc/42/67/30/596426730.db2.gz MYMOYSLLKDFPMS-GUDVDZBRSA-N 2 2 345.487 1.830 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(C)c3[nH+]cccc3C2)C1(C)C ZINC000871019611 596440088 /nfs/dbraw/zinc/44/00/88/596440088.db2.gz ALVCRYUMLAEHRZ-KDOFPFPSSA-N 2 2 332.448 1.393 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)c1ccco1 ZINC000865028449 596449308 /nfs/dbraw/zinc/44/93/08/596449308.db2.gz MZCNYEZKVWTPJY-KQQSKNTNSA-N 2 2 335.448 1.667 20 0 EDADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)/C=C/C[NH+]1CCOCC1 ZINC000865132132 596487592 /nfs/dbraw/zinc/48/75/92/596487592.db2.gz DYLXSJWWOPERAW-AATRIKPKSA-N 2 2 345.487 1.985 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000865156566 596494672 /nfs/dbraw/zinc/49/46/72/596494672.db2.gz GQJBHDRRJCDOCT-ZLQZBKBYSA-N 2 2 349.519 1.989 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000865178491 596502027 /nfs/dbraw/zinc/50/20/27/596502027.db2.gz WKLGUOIQOHTPIF-CABCVRRESA-N 2 2 347.450 1.533 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000865178491 596502029 /nfs/dbraw/zinc/50/20/29/596502029.db2.gz WKLGUOIQOHTPIF-CABCVRRESA-N 2 2 347.450 1.533 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000871286083 596525286 /nfs/dbraw/zinc/52/52/86/596525286.db2.gz YKIACPITMIHZRN-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000871286083 596525288 /nfs/dbraw/zinc/52/52/88/596525288.db2.gz YKIACPITMIHZRN-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000871286083 596525290 /nfs/dbraw/zinc/52/52/90/596525290.db2.gz YKIACPITMIHZRN-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000871286083 596525292 /nfs/dbraw/zinc/52/52/92/596525292.db2.gz YKIACPITMIHZRN-MSOLQXFVSA-N 2 2 331.460 1.406 20 0 EDADLP C[N@@H+]1CCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCC1(C)C ZINC000867743784 596528369 /nfs/dbraw/zinc/52/83/69/596528369.db2.gz YKTNDDBGBWAWME-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP C[N@H+]1CCN(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCC1(C)C ZINC000867743784 596528372 /nfs/dbraw/zinc/52/83/72/596528372.db2.gz YKTNDDBGBWAWME-UHFFFAOYSA-N 2 2 347.463 1.058 20 0 EDADLP COc1ccc2c(c1)CN(C[NH+]1CCC(OCC[NH+](C)C)CC1)C2=O ZINC000863260944 596530077 /nfs/dbraw/zinc/53/00/77/596530077.db2.gz UTXWNXUFUFYVKF-UHFFFAOYSA-N 2 2 347.459 1.651 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000865505948 596593469 /nfs/dbraw/zinc/59/34/69/596593469.db2.gz MVWNBSYSTHPCFP-FUHWJXTLSA-N 2 2 335.496 1.915 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000865505948 596593472 /nfs/dbraw/zinc/59/34/72/596593472.db2.gz MVWNBSYSTHPCFP-FUHWJXTLSA-N 2 2 335.496 1.915 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000863549277 596614594 /nfs/dbraw/zinc/61/45/94/596614594.db2.gz GSWYHRJMACZZOY-DZGCQCFKSA-N 2 2 332.404 1.309 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000865659294 596641458 /nfs/dbraw/zinc/64/14/58/596641458.db2.gz LKOLMAAQKDOCSM-NEWSRXKRSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000865659294 596641460 /nfs/dbraw/zinc/64/14/60/596641460.db2.gz LKOLMAAQKDOCSM-NEWSRXKRSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659294 596641463 /nfs/dbraw/zinc/64/14/63/596641463.db2.gz LKOLMAAQKDOCSM-NEWSRXKRSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659294 596641464 /nfs/dbraw/zinc/64/14/64/596641464.db2.gz LKOLMAAQKDOCSM-NEWSRXKRSA-N 2 2 331.504 1.942 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)Cc2[nH]cc[nH+]2)cn1 ZINC000868092686 596682904 /nfs/dbraw/zinc/68/29/04/596682904.db2.gz AFONSLBATOZLME-UHFFFAOYSA-N 2 2 325.376 1.640 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC000865799571 596688646 /nfs/dbraw/zinc/68/86/46/596688646.db2.gz PZQVWIYLXVYLPI-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[C@@H]1CCCO1 ZINC000865799571 596688648 /nfs/dbraw/zinc/68/86/48/596688648.db2.gz PZQVWIYLXVYLPI-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3Cc4ccccc4C3)CC[C@@H]21 ZINC000868164738 596707691 /nfs/dbraw/zinc/70/76/91/596707691.db2.gz PCGCGVHIPUCDNC-MSOLQXFVSA-N 2 2 328.460 1.738 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCC[NH+]3Cc4ccccc4C3)CC[C@@H]21 ZINC000868164738 596707693 /nfs/dbraw/zinc/70/76/93/596707693.db2.gz PCGCGVHIPUCDNC-MSOLQXFVSA-N 2 2 328.460 1.738 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)Nc3ccc4c(c3F)CC[NH2+]C4)cc2C1 ZINC000868167845 596708230 /nfs/dbraw/zinc/70/82/30/596708230.db2.gz MTRJPRQSGOWBEV-UHFFFAOYSA-N 2 2 344.394 1.757 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)Nc3ccc4c(c3F)CC[NH2+]C4)cc2C1 ZINC000868167845 596708232 /nfs/dbraw/zinc/70/82/32/596708232.db2.gz MTRJPRQSGOWBEV-UHFFFAOYSA-N 2 2 344.394 1.757 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)cc2C1 ZINC000868206264 596723461 /nfs/dbraw/zinc/72/34/61/596723461.db2.gz VNQFLVJGRCMOCG-MRXNPFEDSA-N 2 2 346.479 1.570 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)N3CCC([C@H]4[NH2+]CC4(C)C)CC3)cc2C1 ZINC000868206264 596723463 /nfs/dbraw/zinc/72/34/63/596723463.db2.gz VNQFLVJGRCMOCG-MRXNPFEDSA-N 2 2 346.479 1.570 20 0 EDADLP CCCNc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)nc[nH+]1 ZINC000865965454 596740528 /nfs/dbraw/zinc/74/05/28/596740528.db2.gz NTDHFTFFIYMRBU-QGZVFWFLSA-N 2 2 335.452 1.326 20 0 EDADLP CCCNc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)nc[nH+]1 ZINC000865965454 596740530 /nfs/dbraw/zinc/74/05/30/596740530.db2.gz NTDHFTFFIYMRBU-QGZVFWFLSA-N 2 2 335.452 1.326 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CC(F)F)C1)C[NH+]1CCOCC1 ZINC000865994375 596751531 /nfs/dbraw/zinc/75/15/31/596751531.db2.gz LTJKYELFWYCGSC-KBPBESRZSA-N 2 2 333.423 1.048 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CC(F)F)C1)C[NH+]1CCOCC1 ZINC000865994375 596751535 /nfs/dbraw/zinc/75/15/35/596751535.db2.gz LTJKYELFWYCGSC-KBPBESRZSA-N 2 2 333.423 1.048 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@@H](C)[NH+]3CCSCC3)CC[NH2+]2)c1 ZINC000870150988 596775193 /nfs/dbraw/zinc/77/51/93/596775193.db2.gz RASFUXCLZPKJBE-RHSMWYFYSA-N 2 2 349.500 1.605 20 0 EDADLP COc1cccc(C[NH+]2CCN(C(=O)CC[NH+]3CCOCC3)CC2)c1 ZINC000870156009 596778910 /nfs/dbraw/zinc/77/89/10/596778910.db2.gz GJEQONISAGBWIS-UHFFFAOYSA-N 2 2 347.459 1.062 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(=O)n3ccccc3n2)C[C@@H]1C(F)(F)F ZINC000872147057 596810970 /nfs/dbraw/zinc/81/09/70/596810970.db2.gz CNDYIBIJKVUYAD-JQWIXIFHSA-N 2 2 326.322 1.264 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(=O)n3ccccc3n2)C[C@@H]1C(F)(F)F ZINC000872147057 596810972 /nfs/dbraw/zinc/81/09/72/596810972.db2.gz CNDYIBIJKVUYAD-JQWIXIFHSA-N 2 2 326.322 1.264 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000872152125 596813868 /nfs/dbraw/zinc/81/38/68/596813868.db2.gz ZGDYEZYDZPYCSA-KBPBESRZSA-N 2 2 329.366 1.957 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000872152125 596813870 /nfs/dbraw/zinc/81/38/70/596813870.db2.gz ZGDYEZYDZPYCSA-KBPBESRZSA-N 2 2 329.366 1.957 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151911 596814157 /nfs/dbraw/zinc/81/41/57/596814157.db2.gz YVCJMWFGPCNHLE-RTXFEEFZSA-N 2 2 347.356 1.899 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151911 596814159 /nfs/dbraw/zinc/81/41/59/596814159.db2.gz YVCJMWFGPCNHLE-RTXFEEFZSA-N 2 2 347.356 1.899 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153357 596815257 /nfs/dbraw/zinc/81/52/57/596815257.db2.gz KHIFMULVUNASLL-PGSNGQOISA-N 2 2 329.444 1.556 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153357 596815261 /nfs/dbraw/zinc/81/52/61/596815261.db2.gz KHIFMULVUNASLL-PGSNGQOISA-N 2 2 329.444 1.556 20 0 EDADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866236202 596835591 /nfs/dbraw/zinc/83/55/91/596835591.db2.gz VYJNAHWINHVJLJ-AEFFLSMTSA-N 2 2 342.443 1.814 20 0 EDADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866236202 596835595 /nfs/dbraw/zinc/83/55/95/596835595.db2.gz VYJNAHWINHVJLJ-AEFFLSMTSA-N 2 2 342.443 1.814 20 0 EDADLP C[C@@H](CCc1cccnc1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000866268314 596842999 /nfs/dbraw/zinc/84/29/99/596842999.db2.gz SFTPGJRYRWKVMI-HKUYNNGSSA-N 2 2 332.492 1.399 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866299690 596850894 /nfs/dbraw/zinc/85/08/94/596850894.db2.gz OENRVRIFLKCHTE-YOEHRIQHSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866299690 596850897 /nfs/dbraw/zinc/85/08/97/596850897.db2.gz OENRVRIFLKCHTE-YOEHRIQHSA-N 2 2 328.416 1.566 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CC(F)F)C3)C2)C1 ZINC000868572507 596886912 /nfs/dbraw/zinc/88/69/12/596886912.db2.gz SEWXFRCVFSRUAT-PBHICJAKSA-N 2 2 329.435 1.908 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CC(F)F)C3)C2)C1 ZINC000868572507 596886913 /nfs/dbraw/zinc/88/69/13/596886913.db2.gz SEWXFRCVFSRUAT-PBHICJAKSA-N 2 2 329.435 1.908 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CC(F)F)C3)C2)C1 ZINC000868572507 596886914 /nfs/dbraw/zinc/88/69/14/596886914.db2.gz SEWXFRCVFSRUAT-PBHICJAKSA-N 2 2 329.435 1.908 20 0 EDADLP C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+](CC(F)F)C3)C2)C1 ZINC000868572507 596886915 /nfs/dbraw/zinc/88/69/15/596886915.db2.gz SEWXFRCVFSRUAT-PBHICJAKSA-N 2 2 329.435 1.908 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875644814 596931423 /nfs/dbraw/zinc/93/14/23/596931423.db2.gz NPMQOUKOMJGNKG-OAHLLOKOSA-N 2 2 349.479 1.718 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCC[NH+](C)C1CC1 ZINC000875653693 596934750 /nfs/dbraw/zinc/93/47/50/596934750.db2.gz IOXMFLNSAUAKRW-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCCC[NH+](C)C1CC1 ZINC000875653693 596934752 /nfs/dbraw/zinc/93/47/52/596934752.db2.gz IOXMFLNSAUAKRW-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000875653693 596934754 /nfs/dbraw/zinc/93/47/54/596934754.db2.gz IOXMFLNSAUAKRW-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000875653693 596934757 /nfs/dbraw/zinc/93/47/57/596934757.db2.gz IOXMFLNSAUAKRW-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC000874337723 597023698 /nfs/dbraw/zinc/02/36/98/597023698.db2.gz HFWUADCLQUCGQE-SFHVURJKSA-N 2 2 345.487 1.832 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000874431478 597075936 /nfs/dbraw/zinc/07/59/36/597075936.db2.gz OACOWIONZVDAIG-MGPQQGTHSA-N 2 2 338.477 1.158 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000874466420 597092322 /nfs/dbraw/zinc/09/23/22/597092322.db2.gz OLNHATSEVRGCDW-ZWKOTPCHSA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000874466420 597092323 /nfs/dbraw/zinc/09/23/23/597092323.db2.gz OLNHATSEVRGCDW-ZWKOTPCHSA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCN(C)CC1 ZINC000874466420 597092324 /nfs/dbraw/zinc/09/23/24/597092324.db2.gz OLNHATSEVRGCDW-ZWKOTPCHSA-N 2 2 336.524 1.392 20 0 EDADLP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1)[NH+]1CCN(C)CC1 ZINC000874466420 597092325 /nfs/dbraw/zinc/09/23/25/597092325.db2.gz OLNHATSEVRGCDW-ZWKOTPCHSA-N 2 2 336.524 1.392 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N(C)CC[NH+](C)C)C2)cc1 ZINC000876197774 597130810 /nfs/dbraw/zinc/13/08/10/597130810.db2.gz HCMSXJPUMHZKJQ-GOSISDBHSA-N 2 2 348.491 1.399 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N(C)CC[NH+](C)C)C2)cc1 ZINC000876197774 597130811 /nfs/dbraw/zinc/13/08/11/597130811.db2.gz HCMSXJPUMHZKJQ-GOSISDBHSA-N 2 2 348.491 1.399 20 0 EDADLP Cc1sc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1Br ZINC000873025527 597163757 /nfs/dbraw/zinc/16/37/57/597163757.db2.gz KHTXTHVBBHUFQH-UHFFFAOYSA-N 2 2 346.294 1.683 20 0 EDADLP O=S1(=O)CC[C@@H]([N@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CC2)C1 ZINC000873202882 597225905 /nfs/dbraw/zinc/22/59/05/597225905.db2.gz HAOZNSFTGWPUPH-CYBMUJFWSA-N 2 2 326.487 1.545 20 0 EDADLP O=S1(=O)CC[C@@H]([N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CC2)C1 ZINC000873202882 597225909 /nfs/dbraw/zinc/22/59/09/597225909.db2.gz HAOZNSFTGWPUPH-CYBMUJFWSA-N 2 2 326.487 1.545 20 0 EDADLP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000876524455 597229962 /nfs/dbraw/zinc/22/99/62/597229962.db2.gz QSDAVYJANOSYQC-WHLIDYPQSA-N 2 2 331.460 1.814 20 0 EDADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc2c1OCO2 ZINC000873227937 597233657 /nfs/dbraw/zinc/23/36/57/597233657.db2.gz PGHIATIEAHTXFV-MNOVXSKESA-N 2 2 332.322 1.993 20 0 EDADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc2c1OCO2 ZINC000873227937 597233661 /nfs/dbraw/zinc/23/36/61/597233661.db2.gz PGHIATIEAHTXFV-MNOVXSKESA-N 2 2 332.322 1.993 20 0 EDADLP CN1CCN(C(=O)NCCC[NH+]2CCCCC2)Cc2ccc[nH+]c21 ZINC000875020233 597247087 /nfs/dbraw/zinc/24/70/87/597247087.db2.gz OHOJDPHFBPCXAL-UHFFFAOYSA-N 2 2 331.464 1.919 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000875098668 597280358 /nfs/dbraw/zinc/28/03/58/597280358.db2.gz ALLQYWGQAMJVDB-HOTGVXAUSA-N 2 2 328.501 1.373 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000875098668 597280360 /nfs/dbraw/zinc/28/03/60/597280360.db2.gz ALLQYWGQAMJVDB-HOTGVXAUSA-N 2 2 328.501 1.373 20 0 EDADLP Cc1cc(NCCNC(=O)CCC23CC(C2)C[NH2+]3)nc(C(C)C)[nH+]1 ZINC000877026548 597415318 /nfs/dbraw/zinc/41/53/18/597415318.db2.gz FAYYFMVWPDYVEQ-UHFFFAOYSA-N 2 2 331.464 1.969 20 0 EDADLP C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000873906732 597443779 /nfs/dbraw/zinc/44/37/79/597443779.db2.gz GXFIJNMELXSUNT-ZIAGYGMSSA-N 2 2 325.416 1.904 20 0 EDADLP C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000873906732 597443782 /nfs/dbraw/zinc/44/37/82/597443782.db2.gz GXFIJNMELXSUNT-ZIAGYGMSSA-N 2 2 325.416 1.904 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C[C@H]1C(F)(F)F ZINC000877356613 597500168 /nfs/dbraw/zinc/50/01/68/597500168.db2.gz HDFDQIQYKHERHB-DNSOKLHBSA-N 2 2 337.292 1.560 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877400064 597509977 /nfs/dbraw/zinc/50/99/77/597509977.db2.gz RRGMHUFJJQLLJD-GJZGRUSLSA-N 2 2 341.496 1.726 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCC2 ZINC000877400064 597509978 /nfs/dbraw/zinc/50/99/78/597509978.db2.gz RRGMHUFJJQLLJD-GJZGRUSLSA-N 2 2 341.496 1.726 20 0 EDADLP COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2 ZINC000877427890 597513756 /nfs/dbraw/zinc/51/37/56/597513756.db2.gz BXZDIVBAJLABQG-SWLSCSKDSA-N 2 2 335.448 1.429 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000877433775 597514870 /nfs/dbraw/zinc/51/48/70/597514870.db2.gz IXYCUPUBADJRKF-RYQLBKOJSA-N 2 2 349.475 1.146 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000877433775 597514872 /nfs/dbraw/zinc/51/48/72/597514872.db2.gz IXYCUPUBADJRKF-RYQLBKOJSA-N 2 2 349.475 1.146 20 0 EDADLP CCOC(=O)N1CCC(C)(C[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000877642115 597543476 /nfs/dbraw/zinc/54/34/76/597543476.db2.gz OYCOQBZCPYRQPA-UHFFFAOYSA-N 2 2 349.479 1.801 20 0 EDADLP OCC1(C[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCC1 ZINC000878552639 597632850 /nfs/dbraw/zinc/63/28/50/597632850.db2.gz SBBGHEGQWRDXGN-ZWKOTPCHSA-N 2 2 340.508 1.477 20 0 EDADLP OCC1(C[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCC1 ZINC000878552639 597632852 /nfs/dbraw/zinc/63/28/52/597632852.db2.gz SBBGHEGQWRDXGN-ZWKOTPCHSA-N 2 2 340.508 1.477 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573510 597637100 /nfs/dbraw/zinc/63/71/00/597637100.db2.gz YBXZZKCXFBIEPM-ATZDWAIDSA-N 2 2 327.472 1.986 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879573510 597637103 /nfs/dbraw/zinc/63/71/03/597637103.db2.gz YBXZZKCXFBIEPM-ATZDWAIDSA-N 2 2 327.472 1.986 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879573510 597637105 /nfs/dbraw/zinc/63/71/05/597637105.db2.gz YBXZZKCXFBIEPM-ATZDWAIDSA-N 2 2 327.472 1.986 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879573510 597637108 /nfs/dbraw/zinc/63/71/08/597637108.db2.gz YBXZZKCXFBIEPM-ATZDWAIDSA-N 2 2 327.472 1.986 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)CC1 ZINC000879590642 597647258 /nfs/dbraw/zinc/64/72/58/597647258.db2.gz CRAXWZPWNAYWQH-SFHVURJKSA-N 2 2 339.430 1.710 20 0 EDADLP C[NH+]1CCN(C2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)CC1 ZINC000879594626 597649652 /nfs/dbraw/zinc/64/96/52/597649652.db2.gz OQJJVIYEWGEEHE-IBGZPJMESA-N 2 2 348.535 1.632 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cs1 ZINC000879594606 597649826 /nfs/dbraw/zinc/64/98/26/597649826.db2.gz NXGWCNQZKWJUIG-UHFFFAOYSA-N 2 2 337.489 1.747 20 0 EDADLP COc1ccc2c(c1)C1(CC1)C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C2 ZINC000878633283 597661599 /nfs/dbraw/zinc/66/15/99/597661599.db2.gz XBGSYXQBTPWNKR-UHFFFAOYSA-N 2 2 343.471 1.753 20 0 EDADLP COc1ccc2c(c1)C1(CC1)C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C2 ZINC000878633283 597661600 /nfs/dbraw/zinc/66/16/00/597661600.db2.gz XBGSYXQBTPWNKR-UHFFFAOYSA-N 2 2 343.471 1.753 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000878670812 597674348 /nfs/dbraw/zinc/67/43/48/597674348.db2.gz RHBDYGXQYZSYEF-INIZCTEOSA-N 2 2 328.497 1.115 20 0 EDADLP C[C@H](CCn1cccn1)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371025 597725536 /nfs/dbraw/zinc/72/55/36/597725536.db2.gz XLSVEKCJVJKQNL-QZTJIDSGSA-N 2 2 335.496 1.048 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880071547 597831815 /nfs/dbraw/zinc/83/18/15/597831815.db2.gz ISFSBXRTNNSXEP-RBUKOAKNSA-N 2 2 326.444 1.822 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880071547 597831817 /nfs/dbraw/zinc/83/18/17/597831817.db2.gz ISFSBXRTNNSXEP-RBUKOAKNSA-N 2 2 326.444 1.822 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132960 597850382 /nfs/dbraw/zinc/85/03/82/597850382.db2.gz RRWGXDYHAJXORP-DLBZAZTESA-N 2 2 344.459 1.571 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132960 597850383 /nfs/dbraw/zinc/85/03/83/597850383.db2.gz RRWGXDYHAJXORP-DLBZAZTESA-N 2 2 344.459 1.571 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132960 597850385 /nfs/dbraw/zinc/85/03/85/597850385.db2.gz RRWGXDYHAJXORP-DLBZAZTESA-N 2 2 344.459 1.571 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)NC(=O)NCc1ccccc1 ZINC000880132960 597850386 /nfs/dbraw/zinc/85/03/86/597850386.db2.gz RRWGXDYHAJXORP-DLBZAZTESA-N 2 2 344.459 1.571 20 0 EDADLP CC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CCCOC1 ZINC000880463178 597939116 /nfs/dbraw/zinc/93/91/16/597939116.db2.gz OYXKXBYDTBMQPG-CVEARBPZSA-N 2 2 341.496 1.008 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C[C@@H](C)O1 ZINC000880566747 597966050 /nfs/dbraw/zinc/96/60/50/597966050.db2.gz AEBHMJFGQPUJQJ-NUJGCVRESA-N 2 2 342.443 1.850 20 0 EDADLP CCS(=O)(=O)NCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569032 597966495 /nfs/dbraw/zinc/96/64/95/597966495.db2.gz GQTSUVZIQLJJRW-MRXNPFEDSA-N 2 2 336.461 1.543 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000880614525 597981959 /nfs/dbraw/zinc/98/19/59/597981959.db2.gz HKZKYAYFKLGIDS-INIZCTEOSA-N 2 2 335.452 1.376 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000880614525 597981960 /nfs/dbraw/zinc/98/19/60/597981960.db2.gz HKZKYAYFKLGIDS-INIZCTEOSA-N 2 2 335.452 1.376 20 0 EDADLP COc1cccc([C@H](CNC(=O)c2ncoc2C[NH3+])[NH+]2CCCC2)c1 ZINC000884179013 598016276 /nfs/dbraw/zinc/01/62/76/598016276.db2.gz BWBJCYSAWRHKDZ-HNNXBMFYSA-N 2 2 344.415 1.709 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000884192789 598021867 /nfs/dbraw/zinc/02/18/67/598021867.db2.gz OADDBRAGQUKZAF-UHFFFAOYSA-N 2 2 328.416 1.912 20 0 EDADLP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000884197642 598024263 /nfs/dbraw/zinc/02/42/63/598024263.db2.gz ZNSHGFDITBQCKB-QGZVFWFLSA-N 2 2 347.459 1.222 20 0 EDADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000884206566 598028728 /nfs/dbraw/zinc/02/87/28/598028728.db2.gz YJHSDIRSSZQVLL-KRWDZBQOSA-N 3 2 338.540 1.671 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031050117 695383257 /nfs/dbraw/zinc/38/32/57/695383257.db2.gz BGBPJVQAHOEMOC-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031050117 695383259 /nfs/dbraw/zinc/38/32/59/695383259.db2.gz BGBPJVQAHOEMOC-AEFFLSMTSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)n1 ZINC000939858290 699997596 /nfs/dbraw/zinc/99/75/96/699997596.db2.gz XTLHOSMANSEKRY-GOEBONIOSA-N 2 2 330.436 1.297 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)co1 ZINC000992840493 695398563 /nfs/dbraw/zinc/39/85/63/695398563.db2.gz WOCUTMZRWVFGCU-XOKHGSTOSA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ncccn3)[C@@H]2C1 ZINC000992865165 695412801 /nfs/dbraw/zinc/41/28/01/695412801.db2.gz UZPPWVSUEJWAOB-RRFJBIMHSA-N 2 2 340.431 1.159 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)cn1 ZINC000992860474 695418895 /nfs/dbraw/zinc/41/88/95/695418895.db2.gz NMSGQLBSRQXLQZ-HRCADAONSA-N 2 2 342.447 1.103 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccccn3)[C@@H]2C1 ZINC000992925057 695456815 /nfs/dbraw/zinc/45/68/15/695456815.db2.gz OIOSTBZINQTBQW-CGTJXYLNSA-N 2 2 339.443 1.695 20 0 EDADLP O=C(NC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001031081730 695483843 /nfs/dbraw/zinc/48/38/43/695483843.db2.gz BPWGFVWEIQEHOA-CABCVRRESA-N 2 2 327.419 1.849 20 0 EDADLP O=C(NC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001031081730 695483845 /nfs/dbraw/zinc/48/38/45/695483845.db2.gz BPWGFVWEIQEHOA-CABCVRRESA-N 2 2 327.419 1.849 20 0 EDADLP Cc1ccc(C[NH+]2CC(NC(=O)c3cnn(CC[NH+](C)C)c3)C2)cc1 ZINC001031083339 695488239 /nfs/dbraw/zinc/48/82/39/695488239.db2.gz FNBSFIQOSIETAO-UHFFFAOYSA-N 2 2 341.459 1.367 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@H+](CCCO)[C@@H]3C)ccn12 ZINC000993354616 696003109 /nfs/dbraw/zinc/00/31/09/696003109.db2.gz SFLDMYBINOZSAI-ZBFHGGJFSA-N 2 2 330.432 1.608 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[N@@H+](CCCO)[C@@H]3C)ccn12 ZINC000993354616 696003111 /nfs/dbraw/zinc/00/31/11/696003111.db2.gz SFLDMYBINOZSAI-ZBFHGGJFSA-N 2 2 330.432 1.608 20 0 EDADLP CO[C@H](C[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1)C1CCCC1 ZINC001031267302 696084763 /nfs/dbraw/zinc/08/47/63/696084763.db2.gz ARJLGJFSUJDZSM-GOSISDBHSA-N 2 2 346.475 1.767 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@@H+]1CCF ZINC000994113486 696538640 /nfs/dbraw/zinc/53/86/40/696538640.db2.gz LDQSGRDJQPSBSP-CJNGLKHVSA-N 2 2 331.395 1.820 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[N@H+]1CCF ZINC000994113486 696538643 /nfs/dbraw/zinc/53/86/43/696538643.db2.gz LDQSGRDJQPSBSP-CJNGLKHVSA-N 2 2 331.395 1.820 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000916837308 696794897 /nfs/dbraw/zinc/79/48/97/696794897.db2.gz RKDJSEZAHUQRIG-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000916837308 696794898 /nfs/dbraw/zinc/79/48/98/696794898.db2.gz RKDJSEZAHUQRIG-HOTGVXAUSA-N 2 2 326.485 1.128 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccnn2C)[C@H]1C ZINC000994420841 696842470 /nfs/dbraw/zinc/84/24/70/696842470.db2.gz LERWGTQHJIYTBI-XJKSGUPXSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnn2C)[C@H]1C ZINC000994420841 696842475 /nfs/dbraw/zinc/84/24/75/696842475.db2.gz LERWGTQHJIYTBI-XJKSGUPXSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(C)nc2)[C@@H]1C ZINC000994428628 696856238 /nfs/dbraw/zinc/85/62/38/696856238.db2.gz XIBZFCOXWAJGBV-CXAGYDPISA-N 2 2 342.447 1.459 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(C)nc2)[C@@H]1C ZINC000994428628 696856239 /nfs/dbraw/zinc/85/62/39/696856239.db2.gz XIBZFCOXWAJGBV-CXAGYDPISA-N 2 2 342.447 1.459 20 0 EDADLP C[C@@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000917015734 696877560 /nfs/dbraw/zinc/87/75/60/696877560.db2.gz MEGCQCIDPSOYFT-ZIAGYGMSSA-N 2 2 335.452 1.056 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994504904 696939364 /nfs/dbraw/zinc/93/93/64/696939364.db2.gz HMDNOPJFKYARFG-ZBFHGGJFSA-N 2 2 345.447 1.911 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994504904 696939368 /nfs/dbraw/zinc/93/93/68/696939368.db2.gz HMDNOPJFKYARFG-ZBFHGGJFSA-N 2 2 345.447 1.911 20 0 EDADLP Cc1ncsc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994508132 696946740 /nfs/dbraw/zinc/94/67/40/696946740.db2.gz PJRQUBCPVJQJDG-ZIAGYGMSSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1ncsc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994508132 696946743 /nfs/dbraw/zinc/94/67/43/696946743.db2.gz PJRQUBCPVJQJDG-ZIAGYGMSSA-N 2 2 333.461 1.817 20 0 EDADLP Cc1nc(CC[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cs1 ZINC000994512250 696955400 /nfs/dbraw/zinc/95/54/00/696955400.db2.gz XIUMIVJZJKBHRW-CJNGLKHVSA-N 2 2 347.488 1.860 20 0 EDADLP Cc1nc(CC[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)cs1 ZINC000994512250 696955402 /nfs/dbraw/zinc/95/54/02/696955402.db2.gz XIUMIVJZJKBHRW-CJNGLKHVSA-N 2 2 347.488 1.860 20 0 EDADLP Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)c1 ZINC000994511154 696955995 /nfs/dbraw/zinc/95/59/95/696955995.db2.gz VOJYWWKGTYFOBX-DOTOQJQBSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1cncc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)c1 ZINC000994511154 696955998 /nfs/dbraw/zinc/95/59/98/696955998.db2.gz VOJYWWKGTYFOBX-DOTOQJQBSA-N 2 2 327.432 1.756 20 0 EDADLP CCc1ccc([C@H](O)C[NH+]2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031385983 697001928 /nfs/dbraw/zinc/00/19/28/697001928.db2.gz SSXBIBMSKFCFOW-FUHWJXTLSA-N 2 2 331.460 1.035 20 0 EDADLP CCc1ccc([C@H](O)C[NH+]2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031385983 697001931 /nfs/dbraw/zinc/00/19/31/697001931.db2.gz SSXBIBMSKFCFOW-FUHWJXTLSA-N 2 2 331.460 1.035 20 0 EDADLP COc1ccc(CC[NH+]2CC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC001031431403 697092614 /nfs/dbraw/zinc/09/26/14/697092614.db2.gz BWJAHAJXFKNBJW-HOTGVXAUSA-N 2 2 345.487 1.911 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000444852840 697182063 /nfs/dbraw/zinc/18/20/63/697182063.db2.gz UXUNNRYMJAQTDM-BZUAXINKSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000444852840 697182064 /nfs/dbraw/zinc/18/20/64/697182064.db2.gz UXUNNRYMJAQTDM-BZUAXINKSA-N 2 2 331.464 1.936 20 0 EDADLP C[C@H]1COC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000920603837 697451226 /nfs/dbraw/zinc/45/12/26/697451226.db2.gz OGVJDRCOXTXNSW-JKSUJKDBSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sc1C ZINC001031681529 697505021 /nfs/dbraw/zinc/50/50/21/697505021.db2.gz WQSYEQZWNXGIJW-IUODEOHRSA-N 2 2 336.505 1.648 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sc1C ZINC001031681529 697505023 /nfs/dbraw/zinc/50/50/23/697505023.db2.gz WQSYEQZWNXGIJW-IUODEOHRSA-N 2 2 336.505 1.648 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000921422658 697601580 /nfs/dbraw/zinc/60/15/80/697601580.db2.gz BLETUZATVUSCGX-TZMCWYRMSA-N 2 2 339.509 1.733 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000921422658 697601581 /nfs/dbraw/zinc/60/15/81/697601581.db2.gz BLETUZATVUSCGX-TZMCWYRMSA-N 2 2 339.509 1.733 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001031713657 697732495 /nfs/dbraw/zinc/73/24/95/697732495.db2.gz DJOSCHILXMIPKA-MAUKXSAKSA-N 2 2 345.491 1.768 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnc(C)cn2)C1 ZINC001031713657 697732496 /nfs/dbraw/zinc/73/24/96/697732496.db2.gz DJOSCHILXMIPKA-MAUKXSAKSA-N 2 2 345.491 1.768 20 0 EDADLP CC1([NH2+]Cc2ccccn2)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940083483 700178163 /nfs/dbraw/zinc/17/81/63/700178163.db2.gz QSIUVYWLCSAVSG-UHFFFAOYSA-N 2 2 327.432 1.908 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)c1 ZINC000943179027 697876728 /nfs/dbraw/zinc/87/67/28/697876728.db2.gz WLWXASQXOQQQJL-KSSFIOAISA-N 2 2 342.443 1.988 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)[C@@H](C)C2)c1 ZINC000943179027 697876732 /nfs/dbraw/zinc/87/67/32/697876732.db2.gz WLWXASQXOQQQJL-KSSFIOAISA-N 2 2 342.443 1.988 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)C3CC[NH+](CC4CC4)CC3)C2)on1 ZINC001032115043 698969196 /nfs/dbraw/zinc/96/91/96/698969196.db2.gz PFKBOHBYJYNDLK-UHFFFAOYSA-N 2 2 346.475 1.653 20 0 EDADLP CC(C)CC[NH+]1CC(N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC000941500248 701561048 /nfs/dbraw/zinc/56/10/48/701561048.db2.gz NQODHJXRLXAEDN-UHFFFAOYSA-N 2 2 347.507 1.227 20 0 EDADLP COc1ccnc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001031774050 699134778 /nfs/dbraw/zinc/13/47/78/699134778.db2.gz MGCJQWVCONUZSN-QGZVFWFLSA-N 2 2 332.448 1.123 20 0 EDADLP COc1ccnc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001031774050 699134782 /nfs/dbraw/zinc/13/47/82/699134782.db2.gz MGCJQWVCONUZSN-QGZVFWFLSA-N 2 2 332.448 1.123 20 0 EDADLP O=C(NCC1C[NH+](CCc2cccs2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031779485 699183135 /nfs/dbraw/zinc/18/31/35/699183135.db2.gz SBWMTBCEVLNBFT-OAHLLOKOSA-N 2 2 344.484 1.798 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CCc3ccns3)C2)no1 ZINC001031799875 699330161 /nfs/dbraw/zinc/33/01/61/699330161.db2.gz LLGNIHDSETYJSH-UHFFFAOYSA-N 2 2 349.460 1.097 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)o1 ZINC001031817657 699533916 /nfs/dbraw/zinc/53/39/16/699533916.db2.gz NBAABEOENFSVSX-UHFFFAOYSA-N 2 2 325.372 1.493 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939409549 699563710 /nfs/dbraw/zinc/56/37/10/699563710.db2.gz VJTYTZCEVICKHA-XHDPSFHLSA-N 2 2 331.420 1.448 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)o1 ZINC000939535302 699676509 /nfs/dbraw/zinc/67/65/09/699676509.db2.gz PGWCHCQZIGTVBE-IUODEOHRSA-N 2 2 345.447 1.458 20 0 EDADLP COc1nscc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939537345 699678301 /nfs/dbraw/zinc/67/83/01/699678301.db2.gz ZOMHMNBTXAFEAR-BXUZGUMPSA-N 2 2 349.460 1.064 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC000941655674 701606347 /nfs/dbraw/zinc/60/63/47/701606347.db2.gz YTHAJXCMHZTOMM-MRXNPFEDSA-N 2 2 347.507 1.227 20 0 EDADLP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939621750 699758047 /nfs/dbraw/zinc/75/80/47/699758047.db2.gz CZAHGZCZSJFFNO-BLLLJJGKSA-N 2 2 343.431 1.301 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)n1 ZINC000939622102 699758933 /nfs/dbraw/zinc/75/89/33/699758933.db2.gz IRMDGDJJLBGDSM-YGRLFVJLSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000939623470 699760887 /nfs/dbraw/zinc/76/08/87/699760887.db2.gz SFLYGGDNEZQUAP-BDJLRTHQSA-N 2 2 331.395 1.431 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939642113 699771617 /nfs/dbraw/zinc/77/16/17/699771617.db2.gz HQAZQXXTLJURMM-SWLSCSKDSA-N 2 2 340.418 1.835 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939643293 699783464 /nfs/dbraw/zinc/78/34/64/699783464.db2.gz QRDAFWNUQQXKCH-GOEBONIOSA-N 2 2 344.463 1.206 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CCN(C2C[NH+](Cc3ccsc3)C2)CC1 ZINC000941668202 701622157 /nfs/dbraw/zinc/62/21/57/701622157.db2.gz GTGBTSBMKLPEKK-UHFFFAOYSA-N 2 2 348.516 1.172 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@]23CCOC3)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144644 700274269 /nfs/dbraw/zinc/27/42/69/700274269.db2.gz MCMHBCQXDLUXFH-KXBFYZLASA-N 2 2 346.475 1.740 20 0 EDADLP CC1([NH2+]C[C@@H]2C[C@]23CCOC3)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940144644 700274274 /nfs/dbraw/zinc/27/42/74/700274274.db2.gz MCMHBCQXDLUXFH-KXBFYZLASA-N 2 2 346.475 1.740 20 0 EDADLP CCc1nocc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995167051 701633289 /nfs/dbraw/zinc/63/32/89/701633289.db2.gz JIVGYFAWABCQFN-UKRRQHHQSA-N 2 2 345.447 1.588 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031876018 700396418 /nfs/dbraw/zinc/39/64/18/700396418.db2.gz ILXNMYIWIFUQMS-CRAIPNDOSA-N 2 2 337.508 1.581 20 0 EDADLP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031876018 700396421 /nfs/dbraw/zinc/39/64/21/700396421.db2.gz ILXNMYIWIFUQMS-CRAIPNDOSA-N 2 2 337.508 1.581 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000940353061 700536941 /nfs/dbraw/zinc/53/69/41/700536941.db2.gz HHTUEAXQXNAACE-OAHLLOKOSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940441439 700642613 /nfs/dbraw/zinc/64/26/13/700642613.db2.gz IHHKPQZLSJRPQK-UHFFFAOYSA-N 2 2 345.422 1.966 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000182363621 700715004 /nfs/dbraw/zinc/71/50/04/700715004.db2.gz DKSGZVYNEAYALH-UONOGXRCSA-N 2 2 335.448 1.604 20 0 EDADLP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)o1 ZINC000995104907 700917743 /nfs/dbraw/zinc/91/77/43/700917743.db2.gz DLCHSXGFXATXFF-UONOGXRCSA-N 2 2 331.420 1.632 20 0 EDADLP Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842271 700938052 /nfs/dbraw/zinc/93/80/52/700938052.db2.gz BVNCLZTUVBRVMR-JKSUJKDBSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842271 700938053 /nfs/dbraw/zinc/93/80/53/700938053.db2.gz BVNCLZTUVBRVMR-JKSUJKDBSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1nncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842271 700938055 /nfs/dbraw/zinc/93/80/55/700938055.db2.gz BVNCLZTUVBRVMR-JKSUJKDBSA-N 2 2 348.495 1.016 20 0 EDADLP Cn1nncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842271 700938057 /nfs/dbraw/zinc/93/80/57/700938057.db2.gz BVNCLZTUVBRVMR-JKSUJKDBSA-N 2 2 348.495 1.016 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995107969 700960021 /nfs/dbraw/zinc/96/00/21/700960021.db2.gz STEOJSXDMVNKBX-YPMHNXCESA-N 2 2 326.391 1.872 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000995109227 700981158 /nfs/dbraw/zinc/98/11/58/700981158.db2.gz WQBNUWDKGZKTFP-ZFWWWQNUSA-N 2 2 328.420 1.125 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccon3)CC2(C)C)CC1 ZINC000940993698 701029587 /nfs/dbraw/zinc/02/95/87/701029587.db2.gz MQSZPICYINALHY-INIZCTEOSA-N 2 2 334.464 1.733 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)CC1 ZINC000940993698 701029589 /nfs/dbraw/zinc/02/95/89/701029589.db2.gz MQSZPICYINALHY-INIZCTEOSA-N 2 2 334.464 1.733 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccnn3C)C2)C1 ZINC001031918383 701031877 /nfs/dbraw/zinc/03/18/77/701031877.db2.gz JJWBELUJLGFGBK-MRXNPFEDSA-N 2 2 333.480 1.090 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3ccnn3C)C2)C1 ZINC001031918383 701031879 /nfs/dbraw/zinc/03/18/79/701031879.db2.gz JJWBELUJLGFGBK-MRXNPFEDSA-N 2 2 333.480 1.090 20 0 EDADLP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031920329 701057653 /nfs/dbraw/zinc/05/76/53/701057653.db2.gz ZWMCCWZRTVDQGV-GOSISDBHSA-N 2 2 346.475 1.047 20 0 EDADLP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031920329 701057654 /nfs/dbraw/zinc/05/76/54/701057654.db2.gz ZWMCCWZRTVDQGV-GOSISDBHSA-N 2 2 346.475 1.047 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccn(C)n3)CC2(C)C)C1 ZINC000941025973 701065430 /nfs/dbraw/zinc/06/54/30/701065430.db2.gz HJOQQDAJJINQAH-NVXWUHKLSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccn(C)n3)CC2(C)C)C1 ZINC000941025973 701065434 /nfs/dbraw/zinc/06/54/34/701065434.db2.gz HJOQQDAJJINQAH-NVXWUHKLSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccn(C)n3)CC2(C)C)C1 ZINC000941025973 701065438 /nfs/dbraw/zinc/06/54/38/701065438.db2.gz HJOQQDAJJINQAH-NVXWUHKLSA-N 2 2 347.507 1.479 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccn(C)n3)CC2(C)C)C1 ZINC000941025973 701065440 /nfs/dbraw/zinc/06/54/40/701065440.db2.gz HJOQQDAJJINQAH-NVXWUHKLSA-N 2 2 347.507 1.479 20 0 EDADLP O=C(N[C@H]1CC[C@@H](C[NH2+]CC2CC2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000995116866 701066937 /nfs/dbraw/zinc/06/69/37/701066937.db2.gz YZRIMIAMXFJULD-MSOLQXFVSA-N 2 2 349.519 1.916 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H](C)c3cccc(F)c3)C2)C1 ZINC001032197064 701688363 /nfs/dbraw/zinc/68/83/63/701688363.db2.gz FBDJNOFEJWYNHK-KSSFIOAISA-N 2 2 349.450 1.655 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H](C)c3cccc(F)c3)C2)C1 ZINC001032197064 701688365 /nfs/dbraw/zinc/68/83/65/701688365.db2.gz FBDJNOFEJWYNHK-KSSFIOAISA-N 2 2 349.450 1.655 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)o1 ZINC000941060933 701108051 /nfs/dbraw/zinc/10/80/51/701108051.db2.gz JDZIQMTULCUJNQ-MRXNPFEDSA-N 2 2 345.447 1.974 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)C2)o1 ZINC000941060933 701108054 /nfs/dbraw/zinc/10/80/54/701108054.db2.gz JDZIQMTULCUJNQ-MRXNPFEDSA-N 2 2 345.447 1.974 20 0 EDADLP Cc1ccncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806941 701197089 /nfs/dbraw/zinc/19/70/89/701197089.db2.gz GNTABUSXVUFVJU-WBVHZDCISA-N 2 2 327.432 1.613 20 0 EDADLP Cc1ccncc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806941 701197091 /nfs/dbraw/zinc/19/70/91/701197091.db2.gz GNTABUSXVUFVJU-WBVHZDCISA-N 2 2 327.432 1.613 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cn1 ZINC000945807444 701198203 /nfs/dbraw/zinc/19/82/03/701198203.db2.gz JQBNAKXUOZYPKV-CZUORRHYSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cn1 ZINC000945807444 701198204 /nfs/dbraw/zinc/19/82/04/701198204.db2.gz JQBNAKXUOZYPKV-CZUORRHYSA-N 2 2 328.420 1.008 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164639 701230243 /nfs/dbraw/zinc/23/02/43/701230243.db2.gz WIXIRPAOZNMASZ-HOTGVXAUSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164639 701230247 /nfs/dbraw/zinc/23/02/47/701230247.db2.gz WIXIRPAOZNMASZ-HOTGVXAUSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164639 701230251 /nfs/dbraw/zinc/23/02/51/701230251.db2.gz WIXIRPAOZNMASZ-HOTGVXAUSA-N 2 2 347.507 1.479 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941164639 701230254 /nfs/dbraw/zinc/23/02/54/701230254.db2.gz WIXIRPAOZNMASZ-HOTGVXAUSA-N 2 2 347.507 1.479 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215837 701402260 /nfs/dbraw/zinc/40/22/60/701402260.db2.gz BERQMCCZAICVQG-CABCVRRESA-N 2 2 331.464 1.145 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215837 701402261 /nfs/dbraw/zinc/40/22/61/701402261.db2.gz BERQMCCZAICVQG-CABCVRRESA-N 2 2 331.464 1.145 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215837 701402262 /nfs/dbraw/zinc/40/22/62/701402262.db2.gz BERQMCCZAICVQG-CABCVRRESA-N 2 2 331.464 1.145 20 0 EDADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)C1 ZINC000941215837 701402263 /nfs/dbraw/zinc/40/22/63/701402263.db2.gz BERQMCCZAICVQG-CABCVRRESA-N 2 2 331.464 1.145 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)nc1 ZINC000941218199 701408896 /nfs/dbraw/zinc/40/88/96/701408896.db2.gz XBGPCHYPGOIXDW-CVEARBPZSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)nc1 ZINC000941218199 701408897 /nfs/dbraw/zinc/40/88/97/701408897.db2.gz XBGPCHYPGOIXDW-CVEARBPZSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)nc1 ZINC000941218199 701408898 /nfs/dbraw/zinc/40/88/98/701408898.db2.gz XBGPCHYPGOIXDW-CVEARBPZSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)nc1 ZINC000941218199 701408899 /nfs/dbraw/zinc/40/88/99/701408899.db2.gz XBGPCHYPGOIXDW-CVEARBPZSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)C2)co1 ZINC000941222990 701413401 /nfs/dbraw/zinc/41/34/01/701413401.db2.gz BNQWZVHSWYVBGE-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)C2)co1 ZINC000941222990 701413402 /nfs/dbraw/zinc/41/34/02/701413402.db2.gz BNQWZVHSWYVBGE-INIZCTEOSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)sc1C ZINC001032130096 701833102 /nfs/dbraw/zinc/83/31/02/701833102.db2.gz FYUIYKINZDHGHQ-UHFFFAOYSA-N 2 2 334.489 1.404 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995736380 701861110 /nfs/dbraw/zinc/86/11/10/701861110.db2.gz PPEPTFNMPOLNTK-CQSZACIVSA-N 2 2 344.463 1.586 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)c1ccc(F)cc1 ZINC001032652365 706623034 /nfs/dbraw/zinc/62/30/34/706623034.db2.gz PJAHBWZLQMPYQR-ULQDDVLXSA-N 2 2 344.390 1.110 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)c1ccc(F)cc1 ZINC001032652365 706623036 /nfs/dbraw/zinc/62/30/36/706623036.db2.gz PJAHBWZLQMPYQR-ULQDDVLXSA-N 2 2 344.390 1.110 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)o3)C2)CC[N@@H+]1C ZINC000999203730 706648205 /nfs/dbraw/zinc/64/82/05/706648205.db2.gz CKTFTGSMEKVNCN-QLFBSQMISA-N 2 2 335.452 1.189 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)o3)C2)CC[N@H+]1C ZINC000999203730 706648207 /nfs/dbraw/zinc/64/82/07/706648207.db2.gz CKTFTGSMEKVNCN-QLFBSQMISA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nnc([C@H](C)[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995888072 702227004 /nfs/dbraw/zinc/22/70/04/702227004.db2.gz RHXVBFACQCQXKL-JSGCOSHPSA-N 2 2 349.479 1.750 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000996300498 702692325 /nfs/dbraw/zinc/69/23/25/702692325.db2.gz NDAOODMQXBTSSJ-TZMCWYRMSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1 ZINC000996300498 702692326 /nfs/dbraw/zinc/69/23/26/702692326.db2.gz NDAOODMQXBTSSJ-TZMCWYRMSA-N 2 2 337.493 1.349 20 0 EDADLP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C)c1cnccn1 ZINC000996355580 702733338 /nfs/dbraw/zinc/73/33/38/702733338.db2.gz NBDFICRROMDSHY-SWLSCSKDSA-N 2 2 328.420 1.330 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cc1 ZINC000996356853 702734256 /nfs/dbraw/zinc/73/42/56/702734256.db2.gz UANFSUVBWQUNJL-KRWDZBQOSA-N 2 2 342.443 1.988 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996385835 702749750 /nfs/dbraw/zinc/74/97/50/702749750.db2.gz KRQVUFQMZSNHGP-OAHLLOKOSA-N 2 2 349.479 1.437 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399845 702756676 /nfs/dbraw/zinc/75/66/76/702756676.db2.gz TUPIXIXLCDOQIJ-WMLDXEAASA-N 2 2 348.491 1.842 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399845 702756677 /nfs/dbraw/zinc/75/66/77/702756677.db2.gz TUPIXIXLCDOQIJ-WMLDXEAASA-N 2 2 348.491 1.842 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996516596 702852545 /nfs/dbraw/zinc/85/25/45/702852545.db2.gz BPZLQQMKGNEDDE-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996516596 702852548 /nfs/dbraw/zinc/85/25/48/702852548.db2.gz BPZLQQMKGNEDDE-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995231343 702855824 /nfs/dbraw/zinc/85/58/24/702855824.db2.gz AUBJFCWCPDERAA-WBVHZDCISA-N 2 2 327.432 1.661 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC2(C)C)on1 ZINC000996561147 702875235 /nfs/dbraw/zinc/87/52/35/702875235.db2.gz HWQWUZBZMIGCRW-OAHLLOKOSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996563880 702885096 /nfs/dbraw/zinc/88/50/96/702885096.db2.gz QCENLYPTVGMMCK-INIZCTEOSA-N 2 2 344.463 1.329 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996564546 702885884 /nfs/dbraw/zinc/88/58/84/702885884.db2.gz URXYODHIFCTFOI-HNNXBMFYSA-N 2 2 331.420 1.584 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)[nH]1 ZINC000996608222 702911556 /nfs/dbraw/zinc/91/15/56/702911556.db2.gz CEPOWBVASCBVDU-BXUZGUMPSA-N 2 2 345.451 1.206 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C(C)(C)C2)C1 ZINC000996610130 702921020 /nfs/dbraw/zinc/92/10/20/702921020.db2.gz JWYMUXJMHGFHGS-UONOGXRCSA-N 2 2 347.463 1.225 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nnc(C4CC4)o3)C(C)(C)C2)C1 ZINC000996610130 702921023 /nfs/dbraw/zinc/92/10/23/702921023.db2.gz JWYMUXJMHGFHGS-UONOGXRCSA-N 2 2 347.463 1.225 20 0 EDADLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001032312944 702959458 /nfs/dbraw/zinc/95/94/58/702959458.db2.gz CFQIRQKVMKPNLZ-BQFCYCMXSA-N 2 2 329.444 1.575 20 0 EDADLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001032312944 702959461 /nfs/dbraw/zinc/95/94/61/702959461.db2.gz CFQIRQKVMKPNLZ-BQFCYCMXSA-N 2 2 329.444 1.575 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001032312944 702959463 /nfs/dbraw/zinc/95/94/63/702959463.db2.gz CFQIRQKVMKPNLZ-BQFCYCMXSA-N 2 2 329.444 1.575 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001032312944 702959465 /nfs/dbraw/zinc/95/94/65/702959465.db2.gz CFQIRQKVMKPNLZ-BQFCYCMXSA-N 2 2 329.444 1.575 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995251029 702975895 /nfs/dbraw/zinc/97/58/95/702975895.db2.gz PEXBEMBVQYTJRV-CABCVRRESA-N 2 2 328.420 1.056 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC000995251614 702979074 /nfs/dbraw/zinc/97/90/74/702979074.db2.gz PZJRLJCGGXDAKL-IAGOWNOFSA-N 2 2 342.443 1.966 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)o1 ZINC000996686206 702979649 /nfs/dbraw/zinc/97/96/49/702979649.db2.gz UZOPVGHPDHDQRW-HUUCEWRRSA-N 2 2 343.431 1.899 20 0 EDADLP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)o1 ZINC000996686206 702979652 /nfs/dbraw/zinc/97/96/52/702979652.db2.gz UZOPVGHPDHDQRW-HUUCEWRRSA-N 2 2 343.431 1.899 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)C1 ZINC000996712605 703007446 /nfs/dbraw/zinc/00/74/46/703007446.db2.gz GIZWHRGPHQFFTM-UYSNPLJNSA-N 2 2 334.464 1.525 20 0 EDADLP CCc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC000995255622 703009251 /nfs/dbraw/zinc/00/92/51/703009251.db2.gz WVICHVPBFYYWHU-ZIAGYGMSSA-N 2 2 347.488 1.977 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cnns2)C[C@@H]1C ZINC000942518095 703012633 /nfs/dbraw/zinc/01/26/33/703012633.db2.gz MBXVYOFMNZXBOR-SMDDNHRTSA-N 2 2 334.449 1.070 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cnns2)C[C@@H]1C ZINC000942518095 703012635 /nfs/dbraw/zinc/01/26/35/703012635.db2.gz MBXVYOFMNZXBOR-SMDDNHRTSA-N 2 2 334.449 1.070 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996729662 703026498 /nfs/dbraw/zinc/02/64/98/703026498.db2.gz FRXDCLWUTHEUTB-CYBMUJFWSA-N 2 2 345.472 1.683 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996731955 703028893 /nfs/dbraw/zinc/02/88/93/703028893.db2.gz NKNBYROMZKYRDR-MAUKXSAKSA-N 2 2 346.475 1.595 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)no1 ZINC000996733389 703029952 /nfs/dbraw/zinc/02/99/52/703029952.db2.gz UEOXXJZXJRZEDC-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000942538406 703039766 /nfs/dbraw/zinc/03/97/66/703039766.db2.gz PJJRBSPUOCTVBJ-WMLDXEAASA-N 2 2 328.416 1.305 20 0 EDADLP C[C@H]1C[N@@H+](CCO)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000942538406 703039769 /nfs/dbraw/zinc/03/97/69/703039769.db2.gz PJJRBSPUOCTVBJ-WMLDXEAASA-N 2 2 328.416 1.305 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996755583 703044483 /nfs/dbraw/zinc/04/44/83/703044483.db2.gz HELWVAGPTPTIMS-CYBMUJFWSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)o1 ZINC000996760089 703048445 /nfs/dbraw/zinc/04/84/45/703048445.db2.gz SGKWAPVDDOWABJ-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996833335 703115999 /nfs/dbraw/zinc/11/59/99/703115999.db2.gz HMZNTYVGDBXPFB-HNNXBMFYSA-N 2 2 334.464 1.360 20 0 EDADLP Cc1ccncc1C[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996834414 703122457 /nfs/dbraw/zinc/12/24/57/703122457.db2.gz OFNISQXDTUKZFE-UHFFFAOYSA-N 2 2 341.459 1.837 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996855914 703134165 /nfs/dbraw/zinc/13/41/65/703134165.db2.gz JTINXMZLJIHZPM-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996855914 703134167 /nfs/dbraw/zinc/13/41/67/703134167.db2.gz JTINXMZLJIHZPM-SFHVURJKSA-N 2 2 337.508 1.868 20 0 EDADLP COc1nscc1C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996858271 703142534 /nfs/dbraw/zinc/14/25/34/703142534.db2.gz FWSMAGABXNYRDX-UHFFFAOYSA-N 2 2 349.460 1.519 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)o1 ZINC000997016270 703274926 /nfs/dbraw/zinc/27/49/26/703274926.db2.gz KCHRTJVEGCZPGU-HUUCEWRRSA-N 2 2 343.431 1.601 20 0 EDADLP COc1ccnc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC000997121672 703377018 /nfs/dbraw/zinc/37/70/18/703377018.db2.gz AEFQZJXNQCZXMO-UHFFFAOYSA-N 2 2 329.404 1.137 20 0 EDADLP CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408696 703436113 /nfs/dbraw/zinc/43/61/13/703436113.db2.gz CPQLAMLMKLIOGJ-ILXRZTDVSA-N 2 2 337.443 1.092 20 0 EDADLP CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408696 703436114 /nfs/dbraw/zinc/43/61/14/703436114.db2.gz CPQLAMLMKLIOGJ-ILXRZTDVSA-N 2 2 337.443 1.092 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)cn1 ZINC000997178082 703464636 /nfs/dbraw/zinc/46/46/36/703464636.db2.gz BMJVGKSBYVDEIL-CQSZACIVSA-N 2 2 342.447 1.403 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1)c1c[nH+]c[nH]1 ZINC000997181585 703466096 /nfs/dbraw/zinc/46/60/96/703466096.db2.gz AWLPDAQFEKDHLB-HNNXBMFYSA-N 2 2 334.464 1.837 20 0 EDADLP COc1ccnc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC000997180717 703471023 /nfs/dbraw/zinc/47/10/23/703471023.db2.gz UDMBTUQJYWUWLU-UHFFFAOYSA-N 2 2 343.431 1.147 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997220830 703498993 /nfs/dbraw/zinc/49/89/93/703498993.db2.gz FTLLNUKJTSSQTF-UHFFFAOYSA-N 2 2 333.461 1.540 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)cn1 ZINC000997235795 703522880 /nfs/dbraw/zinc/52/28/80/703522880.db2.gz DSLGCZIYURHKAR-UHFFFAOYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)o1 ZINC000997237871 703524776 /nfs/dbraw/zinc/52/47/76/703524776.db2.gz QRQAEEAXBTYDQC-GFCCVEGCSA-N 2 2 346.435 1.386 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997261938 703540562 /nfs/dbraw/zinc/54/05/62/703540562.db2.gz YMYHACBBMFOTOI-DVOMOZLQSA-N 2 2 348.495 1.485 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997261938 703540564 /nfs/dbraw/zinc/54/05/64/703540564.db2.gz YMYHACBBMFOTOI-DVOMOZLQSA-N 2 2 348.495 1.485 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001060825087 703555178 /nfs/dbraw/zinc/55/51/78/703555178.db2.gz NYPXYUZVHHYJDT-HZPDHXFCSA-N 2 2 331.464 1.756 20 0 EDADLP Cc1nc(NC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001060825087 703555179 /nfs/dbraw/zinc/55/51/79/703555179.db2.gz NYPXYUZVHHYJDT-HZPDHXFCSA-N 2 2 331.464 1.756 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H]1CCOC1 ZINC001032437659 703606272 /nfs/dbraw/zinc/60/62/72/703606272.db2.gz LPMRHBWTUAHBDR-PVAVHDDUSA-N 2 2 332.448 1.444 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H]1CCOC1 ZINC001032437659 703606275 /nfs/dbraw/zinc/60/62/75/703606275.db2.gz LPMRHBWTUAHBDR-PVAVHDDUSA-N 2 2 332.448 1.444 20 0 EDADLP COC(=O)COc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000921587266 703629365 /nfs/dbraw/zinc/62/93/65/703629365.db2.gz PTIRJMYJQRGGAU-MRXNPFEDSA-N 2 2 336.432 1.175 20 0 EDADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[N@H+]2C)o1 ZINC001032454513 703641423 /nfs/dbraw/zinc/64/14/23/703641423.db2.gz VSVKQPMMADWQCE-ULQDDVLXSA-N 2 2 346.475 1.951 20 0 EDADLP Cc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001032454513 703641424 /nfs/dbraw/zinc/64/14/24/703641424.db2.gz VSVKQPMMADWQCE-ULQDDVLXSA-N 2 2 346.475 1.951 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[NH+]2C)o1 ZINC001032454513 703641425 /nfs/dbraw/zinc/64/14/25/703641425.db2.gz VSVKQPMMADWQCE-ULQDDVLXSA-N 2 2 346.475 1.951 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[C@@H]2CCC[NH+]2C)o1 ZINC001032454513 703641426 /nfs/dbraw/zinc/64/14/26/703641426.db2.gz VSVKQPMMADWQCE-ULQDDVLXSA-N 2 2 346.475 1.951 20 0 EDADLP C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC[NH+](CCO)CC1 ZINC000997373045 703651000 /nfs/dbraw/zinc/65/10/00/703651000.db2.gz NRAFUXKOOWVEIP-CQSZACIVSA-N 2 2 343.431 1.090 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2nncs2)CC1 ZINC000997421763 703670865 /nfs/dbraw/zinc/67/08/65/703670865.db2.gz RJEUDRXHSFKQHY-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2nncs2)CC1 ZINC000997421763 703670866 /nfs/dbraw/zinc/67/08/66/703670866.db2.gz RJEUDRXHSFKQHY-TZMCWYRMSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)co1 ZINC001004203141 703938114 /nfs/dbraw/zinc/93/81/14/703938114.db2.gz HTSQYWXFEUWSAU-KBPBESRZSA-N 2 2 334.464 1.936 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2c[nH+]cn2C)CC1 ZINC001032710706 706799489 /nfs/dbraw/zinc/79/94/89/706799489.db2.gz MVYUKBIBUSOCPD-IRXDYDNUSA-N 2 2 345.491 1.326 20 0 EDADLP CCO[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)C[NH+](C)C ZINC000922754742 704315042 /nfs/dbraw/zinc/31/50/42/704315042.db2.gz TUQOGCOGGSRILB-AWEZNQCLSA-N 2 2 325.419 1.960 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000997733518 704630324 /nfs/dbraw/zinc/63/03/24/704630324.db2.gz HMFPAPDJPGIRQG-UHFFFAOYSA-N 2 2 334.449 1.222 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997816782 704738388 /nfs/dbraw/zinc/73/83/88/704738388.db2.gz MZLGSLMYZKWZTB-UHFFFAOYSA-N 2 2 334.449 1.222 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997816782 704738391 /nfs/dbraw/zinc/73/83/91/704738391.db2.gz MZLGSLMYZKWZTB-UHFFFAOYSA-N 2 2 334.449 1.222 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000997817475 704739181 /nfs/dbraw/zinc/73/91/81/704739181.db2.gz OZCZKOHGYMQNSV-VQIMIIECSA-N 2 2 346.475 1.597 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000997817475 704739183 /nfs/dbraw/zinc/73/91/83/704739183.db2.gz OZCZKOHGYMQNSV-VQIMIIECSA-N 2 2 346.475 1.597 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC(C[NH2+]Cc3ccon3)CC2)c[nH+]1 ZINC000997861292 704771864 /nfs/dbraw/zinc/77/18/64/704771864.db2.gz XMTKGNNLFOUTSR-UHFFFAOYSA-N 2 2 345.447 1.943 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944942973 704795443 /nfs/dbraw/zinc/79/54/43/704795443.db2.gz DRPVBZMRGFDLAG-GOEBONIOSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944942973 704795445 /nfs/dbraw/zinc/79/54/45/704795445.db2.gz DRPVBZMRGFDLAG-GOEBONIOSA-N 2 2 334.464 1.659 20 0 EDADLP Cc1nocc1C[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000997928259 705032388 /nfs/dbraw/zinc/03/23/88/705032388.db2.gz GFDHZFFDFCPPNV-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP Cc1ccncc1C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000998115833 705370245 /nfs/dbraw/zinc/37/02/45/705370245.db2.gz QNYZXVIJXIEGMN-UHFFFAOYSA-N 2 2 327.432 1.684 20 0 EDADLP Cc1cc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)nn1C ZINC000998117402 705372958 /nfs/dbraw/zinc/37/29/58/705372958.db2.gz ZOCSBTVYNJNEME-UHFFFAOYSA-N 2 2 330.436 1.023 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CCO1 ZINC000998120374 705379447 /nfs/dbraw/zinc/37/94/47/705379447.db2.gz RKDVLZNBHPNNQH-GOEBONIOSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1)n1cc[nH+]c1 ZINC000998124107 705386398 /nfs/dbraw/zinc/38/63/98/705386398.db2.gz HBEWYTMPYRLIID-HNNXBMFYSA-N 2 2 344.463 1.596 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)nc1 ZINC000998223573 705551178 /nfs/dbraw/zinc/55/11/78/705551178.db2.gz SFVUMLRCENCFNR-UHFFFAOYSA-N 2 2 342.447 1.089 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OC)cc1)[NH+](C)C ZINC001032634026 705870832 /nfs/dbraw/zinc/87/08/32/705870832.db2.gz CUFZEQUIKQWNLQ-BQFCYCMXSA-N 2 2 331.460 1.821 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(OC)cc1)[NH+](C)C ZINC001032634026 705870835 /nfs/dbraw/zinc/87/08/35/705870835.db2.gz CUFZEQUIKQWNLQ-BQFCYCMXSA-N 2 2 331.460 1.821 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000998559082 705995287 /nfs/dbraw/zinc/99/52/87/705995287.db2.gz YZPDXUQJVMKLEL-RUXDESIVSA-N 2 2 335.452 1.366 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000998559082 705995292 /nfs/dbraw/zinc/99/52/92/705995292.db2.gz YZPDXUQJVMKLEL-RUXDESIVSA-N 2 2 335.452 1.366 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)no1 ZINC000998797451 706244478 /nfs/dbraw/zinc/24/44/78/706244478.db2.gz VNBHSLHGDPMUMQ-XSCHDIRWSA-N 2 2 349.479 1.441 20 0 EDADLP CCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)no1 ZINC000998797451 706244480 /nfs/dbraw/zinc/24/44/80/706244480.db2.gz VNBHSLHGDPMUMQ-XSCHDIRWSA-N 2 2 349.479 1.441 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999035118 706450227 /nfs/dbraw/zinc/45/02/27/706450227.db2.gz MKWKEZYPBMXACY-OAHLLOKOSA-N 2 2 331.395 1.657 20 0 EDADLP CCn1c(C)nnc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999036218 706451103 /nfs/dbraw/zinc/45/11/03/706451103.db2.gz UBNPUEMDVZJKAY-AWEZNQCLSA-N 2 2 345.451 1.043 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999145040 706558609 /nfs/dbraw/zinc/55/86/09/706558609.db2.gz OWCUJHLJWUVEEW-DZGCQCFKSA-N 2 2 337.493 1.492 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999145040 706558611 /nfs/dbraw/zinc/55/86/11/706558611.db2.gz OWCUJHLJWUVEEW-DZGCQCFKSA-N 2 2 337.493 1.492 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000999373790 706868297 /nfs/dbraw/zinc/86/82/97/706868297.db2.gz RGPBJSBZFDZWQR-HIFRSBDPSA-N 2 2 345.472 1.998 20 0 EDADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC([NH2+]Cc2cnns2)C1 ZINC000999385957 706898638 /nfs/dbraw/zinc/89/86/38/706898638.db2.gz ROPIZKBOICJPFL-XIVSLSHWSA-N 2 2 346.460 1.460 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)on1 ZINC000999425461 706932009 /nfs/dbraw/zinc/93/20/09/706932009.db2.gz GLOVDZXKGMSGQY-BCAXMMLOSA-N 2 2 343.431 1.599 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)[nH]1 ZINC000999506937 707004369 /nfs/dbraw/zinc/00/43/69/707004369.db2.gz CMXPNTSPDIRGJC-LSDHHAIUSA-N 2 2 348.495 1.493 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)[nH]1 ZINC000999506937 707004371 /nfs/dbraw/zinc/00/43/71/707004371.db2.gz CMXPNTSPDIRGJC-LSDHHAIUSA-N 2 2 348.495 1.493 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000999536233 707036239 /nfs/dbraw/zinc/03/62/39/707036239.db2.gz MIYINSNHUPPRDM-ZIAGYGMSSA-N 2 2 345.472 1.683 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]Cc2cnns2)C1 ZINC000999698660 707225131 /nfs/dbraw/zinc/22/51/31/707225131.db2.gz ULXKMBQGLVZBGO-UHFFFAOYSA-N 2 2 334.449 1.318 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000999687010 707239953 /nfs/dbraw/zinc/23/99/53/707239953.db2.gz DCSXQDYRXFIANU-UHFFFAOYSA-N 2 2 330.407 1.881 20 0 EDADLP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000999689144 707244348 /nfs/dbraw/zinc/24/43/48/707244348.db2.gz OICPRTIRDQCORZ-GRTSSRMGSA-N 2 2 347.463 1.368 20 0 EDADLP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000999689144 707244352 /nfs/dbraw/zinc/24/43/52/707244352.db2.gz OICPRTIRDQCORZ-GRTSSRMGSA-N 2 2 347.463 1.368 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999713600 707251453 /nfs/dbraw/zinc/25/14/53/707251453.db2.gz LIOUZUYTDGLGLZ-HUUCEWRRSA-N 2 2 331.420 1.830 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033266771 707294632 /nfs/dbraw/zinc/29/46/32/707294632.db2.gz RTPJPMVPWNREFZ-CYBMUJFWSA-N 2 2 334.449 1.084 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033266771 707294635 /nfs/dbraw/zinc/29/46/35/707294635.db2.gz RTPJPMVPWNREFZ-CYBMUJFWSA-N 2 2 334.449 1.084 20 0 EDADLP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999773008 707331715 /nfs/dbraw/zinc/33/17/15/707331715.db2.gz AGWNVUPWSFNFJO-INIZCTEOSA-N 2 2 341.459 1.837 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000999775192 707334416 /nfs/dbraw/zinc/33/44/16/707334416.db2.gz LCVFBYDHBGACRL-IAGOWNOFSA-N 2 2 348.491 1.893 20 0 EDADLP Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999778530 707339057 /nfs/dbraw/zinc/33/90/57/707339057.db2.gz XWXXZBUWLJCYMR-QGZVFWFLSA-N 2 2 341.459 1.837 20 0 EDADLP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004833612 707403707 /nfs/dbraw/zinc/40/37/07/707403707.db2.gz LCGRRNMTAQFBQF-HOCLYGCPSA-N 2 2 344.463 1.635 20 0 EDADLP C[C@H]1CC[C@H](C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)CC[C@@H]3C2)O1 ZINC000946800355 707451206 /nfs/dbraw/zinc/45/12/06/707451206.db2.gz AMPOMBWQSBIWHJ-LISAXSMJSA-N 2 2 346.475 1.690 20 0 EDADLP C[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)CC[C@@H]3C2)O1 ZINC000946800355 707451208 /nfs/dbraw/zinc/45/12/08/707451208.db2.gz AMPOMBWQSBIWHJ-LISAXSMJSA-N 2 2 346.475 1.690 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)n1 ZINC001033198436 707461193 /nfs/dbraw/zinc/46/11/93/707461193.db2.gz LMJFKUXMAYWHSJ-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)n1 ZINC001033198436 707461198 /nfs/dbraw/zinc/46/11/98/707461198.db2.gz LMJFKUXMAYWHSJ-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001033198436 707461202 /nfs/dbraw/zinc/46/12/02/707461202.db2.gz LMJFKUXMAYWHSJ-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP COc1cccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001033198436 707461205 /nfs/dbraw/zinc/46/12/05/707461205.db2.gz LMJFKUXMAYWHSJ-IRXDYDNUSA-N 2 2 346.475 1.607 20 0 EDADLP CC[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCCC3)CC[C@@H]2C1 ZINC000946806386 707496063 /nfs/dbraw/zinc/49/60/63/707496063.db2.gz MKAYFZXPRNWEMB-HDICACEKSA-N 2 2 349.519 1.822 20 0 EDADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCCC3)CC[C@@H]2C1 ZINC000946806386 707496065 /nfs/dbraw/zinc/49/60/65/707496065.db2.gz MKAYFZXPRNWEMB-HDICACEKSA-N 2 2 349.519 1.822 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999882701 707535159 /nfs/dbraw/zinc/53/51/59/707535159.db2.gz OWTIXDKUEIMYBD-HIFRSBDPSA-N 2 2 349.479 1.894 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001004891867 707572339 /nfs/dbraw/zinc/57/23/39/707572339.db2.gz BHDFZFCPDCJKOH-DOTOQJQBSA-N 2 2 344.463 1.484 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ncccn1 ZINC001004900220 707585816 /nfs/dbraw/zinc/58/58/16/707585816.db2.gz ZALURRPCDCZZAL-JKSUJKDBSA-N 2 2 342.447 1.541 20 0 EDADLP C[C@@H]([NH2+]Cc1nccs1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004946958 707719305 /nfs/dbraw/zinc/71/93/05/707719305.db2.gz OECGVYIDNOLCRK-OCCSQVGLSA-N 2 2 333.461 1.968 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032730425 707738756 /nfs/dbraw/zinc/73/87/56/707738756.db2.gz FBWDHGSQGXXQPN-JYJNAYRXSA-N 2 2 332.448 1.418 20 0 EDADLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001032730425 707738760 /nfs/dbraw/zinc/73/87/60/707738760.db2.gz FBWDHGSQGXXQPN-JYJNAYRXSA-N 2 2 332.448 1.418 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730425 707738764 /nfs/dbraw/zinc/73/87/64/707738764.db2.gz FBWDHGSQGXXQPN-JYJNAYRXSA-N 2 2 332.448 1.418 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001032730425 707738770 /nfs/dbraw/zinc/73/87/70/707738770.db2.gz FBWDHGSQGXXQPN-JYJNAYRXSA-N 2 2 332.448 1.418 20 0 EDADLP Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004966287 707761267 /nfs/dbraw/zinc/76/12/67/707761267.db2.gz PIDSGLXDPAPKJR-WFASDCNBSA-N 2 2 331.420 1.808 20 0 EDADLP Cc1nccnc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004962390 707784826 /nfs/dbraw/zinc/78/48/26/707784826.db2.gz BVHDAAFGMVEQPX-HOCLYGCPSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004963936 707791013 /nfs/dbraw/zinc/79/10/13/707791013.db2.gz GTKLFXDSVCGGDV-ZBFHGGJFSA-N 2 2 344.463 1.554 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)ncn1 ZINC001033418259 707802829 /nfs/dbraw/zinc/80/28/29/707802829.db2.gz BMIKBRUJNAVZLK-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)ncn1 ZINC001033418259 707802831 /nfs/dbraw/zinc/80/28/31/707802831.db2.gz BMIKBRUJNAVZLK-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)ncn1 ZINC001033418259 707802833 /nfs/dbraw/zinc/80/28/33/707802833.db2.gz BMIKBRUJNAVZLK-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)ncn1 ZINC001033418259 707802835 /nfs/dbraw/zinc/80/28/35/707802835.db2.gz BMIKBRUJNAVZLK-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP Cc1ncsc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032753856 707827572 /nfs/dbraw/zinc/82/75/72/707827572.db2.gz PGKWVPVREKNDIM-KBPBESRZSA-N 2 2 345.472 1.553 20 0 EDADLP Cc1ncsc1CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032753856 707827577 /nfs/dbraw/zinc/82/75/77/707827577.db2.gz PGKWVPVREKNDIM-KBPBESRZSA-N 2 2 345.472 1.553 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)o1 ZINC001033424577 707842001 /nfs/dbraw/zinc/84/20/01/707842001.db2.gz DOGCAPHZHWPWQT-HNNXBMFYSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)o1 ZINC001033424577 707842003 /nfs/dbraw/zinc/84/20/03/707842003.db2.gz DOGCAPHZHWPWQT-HNNXBMFYSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC001033424577 707842005 /nfs/dbraw/zinc/84/20/05/707842005.db2.gz DOGCAPHZHWPWQT-HNNXBMFYSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)o1 ZINC001033424577 707842006 /nfs/dbraw/zinc/84/20/06/707842006.db2.gz DOGCAPHZHWPWQT-HNNXBMFYSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001033225005 707849667 /nfs/dbraw/zinc/84/96/67/707849667.db2.gz BQHHLZPIMLLNEJ-QGZVFWFLSA-N 2 2 343.475 1.446 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001033225005 707849669 /nfs/dbraw/zinc/84/96/69/707849669.db2.gz BQHHLZPIMLLNEJ-QGZVFWFLSA-N 2 2 343.475 1.446 20 0 EDADLP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1)[NH+](C)C ZINC001000226659 707885424 /nfs/dbraw/zinc/88/54/24/707885424.db2.gz NHMLHRSCVLJZKI-KGLIPLIRSA-N 2 2 335.452 1.368 20 0 EDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC000921716049 707895387 /nfs/dbraw/zinc/89/53/87/707895387.db2.gz INSBGMKWSVNVMZ-UHFFFAOYSA-N 2 2 331.460 1.654 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC001033457240 707906274 /nfs/dbraw/zinc/90/62/74/707906274.db2.gz GOKMWHWHOSMIIQ-OAHLLOKOSA-N 2 2 346.406 1.703 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC001033457240 707906276 /nfs/dbraw/zinc/90/62/76/707906276.db2.gz GOKMWHWHOSMIIQ-OAHLLOKOSA-N 2 2 346.406 1.703 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033459090 707909991 /nfs/dbraw/zinc/90/99/91/707909991.db2.gz XLWIWGYQQDMCOR-SJORKVTESA-N 2 2 346.406 1.358 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033459090 707909996 /nfs/dbraw/zinc/90/99/96/707909996.db2.gz XLWIWGYQQDMCOR-SJORKVTESA-N 2 2 346.406 1.358 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)c1 ZINC000921746654 707968286 /nfs/dbraw/zinc/96/82/86/707968286.db2.gz HGDRHYKYXJSCFP-SFHVURJKSA-N 2 2 333.476 1.500 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)cs1 ZINC001000800538 708066935 /nfs/dbraw/zinc/06/69/35/708066935.db2.gz LRPVXXOVYOUUSA-ZDUSSCGKSA-N 2 2 333.461 1.806 20 0 EDADLP Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCCCC2)cn1 ZINC001032800585 708078923 /nfs/dbraw/zinc/07/89/23/708078923.db2.gz OWQCADDAXOOUKX-IRXDYDNUSA-N 2 2 331.464 1.081 20 0 EDADLP Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCCCC2)cn1 ZINC001032800585 708078925 /nfs/dbraw/zinc/07/89/25/708078925.db2.gz OWQCADDAXOOUKX-IRXDYDNUSA-N 2 2 331.464 1.081 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005182615 708128865 /nfs/dbraw/zinc/12/88/65/708128865.db2.gz DZEZSUQXFWCUQS-IUODEOHRSA-N 2 2 335.452 1.456 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001005182615 708128868 /nfs/dbraw/zinc/12/88/68/708128868.db2.gz DZEZSUQXFWCUQS-IUODEOHRSA-N 2 2 335.452 1.456 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCCCCC1 ZINC001032814526 708146766 /nfs/dbraw/zinc/14/67/66/708146766.db2.gz ACXIJYAAKVWFOK-IRXDYDNUSA-N 2 2 346.475 1.908 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCCCCC1 ZINC001032814526 708146768 /nfs/dbraw/zinc/14/67/68/708146768.db2.gz ACXIJYAAKVWFOK-IRXDYDNUSA-N 2 2 346.475 1.908 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)o1 ZINC001001448344 708152417 /nfs/dbraw/zinc/15/24/17/708152417.db2.gz GIYHGEGMIPHWSP-GOEBONIOSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)C3)CC2)o1 ZINC001001448344 708152418 /nfs/dbraw/zinc/15/24/18/708152418.db2.gz GIYHGEGMIPHWSP-GOEBONIOSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001001448344 708152419 /nfs/dbraw/zinc/15/24/19/708152419.db2.gz GIYHGEGMIPHWSP-GOEBONIOSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001001448344 708152420 /nfs/dbraw/zinc/15/24/20/708152420.db2.gz GIYHGEGMIPHWSP-GOEBONIOSA-N 2 2 332.448 1.744 20 0 EDADLP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033554047 708218967 /nfs/dbraw/zinc/21/89/67/708218967.db2.gz KXJMAKCKTHNUPV-GDBMZVCRSA-N 2 2 343.431 1.449 20 0 EDADLP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001033554047 708218970 /nfs/dbraw/zinc/21/89/70/708218970.db2.gz KXJMAKCKTHNUPV-GDBMZVCRSA-N 2 2 343.431 1.449 20 0 EDADLP CCn1ccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580393 708260813 /nfs/dbraw/zinc/26/08/13/708260813.db2.gz DJWNIRZSBIPYHW-CVEARBPZSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580393 708260815 /nfs/dbraw/zinc/26/08/15/708260815.db2.gz DJWNIRZSBIPYHW-CVEARBPZSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001033580393 708260817 /nfs/dbraw/zinc/26/08/17/708260817.db2.gz DJWNIRZSBIPYHW-CVEARBPZSA-N 2 2 333.480 1.278 20 0 EDADLP CCn1ccnc1C[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001033580393 708260819 /nfs/dbraw/zinc/26/08/19/708260819.db2.gz DJWNIRZSBIPYHW-CVEARBPZSA-N 2 2 333.480 1.278 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033592508 708277812 /nfs/dbraw/zinc/27/78/12/708277812.db2.gz ANUCSLKJDKMZHQ-FUHWJXTLSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033592508 708277815 /nfs/dbraw/zinc/27/78/15/708277815.db2.gz ANUCSLKJDKMZHQ-FUHWJXTLSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1ccc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033592508 708277818 /nfs/dbraw/zinc/27/78/18/708277818.db2.gz ANUCSLKJDKMZHQ-FUHWJXTLSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)n1ccc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033592508 708277821 /nfs/dbraw/zinc/27/78/21/708277821.db2.gz ANUCSLKJDKMZHQ-FUHWJXTLSA-N 2 2 347.507 1.839 20 0 EDADLP CC(C)c1ocnc1C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593368 708292912 /nfs/dbraw/zinc/29/29/12/708292912.db2.gz LSSDHFZWCBWZON-HNNXBMFYSA-N 2 2 346.475 1.927 20 0 EDADLP CC(C)c1ocnc1C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593368 708292914 /nfs/dbraw/zinc/29/29/14/708292914.db2.gz LSSDHFZWCBWZON-HNNXBMFYSA-N 2 2 346.475 1.927 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617474 708344918 /nfs/dbraw/zinc/34/49/18/708344918.db2.gz UWHUXQWBWQCQGB-CQSZACIVSA-N 2 2 347.488 1.801 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617474 708344922 /nfs/dbraw/zinc/34/49/22/708344922.db2.gz UWHUXQWBWQCQGB-CQSZACIVSA-N 2 2 347.488 1.801 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001033671550 708461969 /nfs/dbraw/zinc/46/19/69/708461969.db2.gz IEVMWYNMVJRQNG-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(F)c3)C2)C1 ZINC001033671550 708461972 /nfs/dbraw/zinc/46/19/72/708461972.db2.gz IEVMWYNMVJRQNG-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001033671550 708461974 /nfs/dbraw/zinc/46/19/74/708461974.db2.gz IEVMWYNMVJRQNG-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001033671550 708461976 /nfs/dbraw/zinc/46/19/76/708461976.db2.gz IEVMWYNMVJRQNG-QZTJIDSGSA-N 2 2 349.450 1.579 20 0 EDADLP CCc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cs1 ZINC001033659112 708470246 /nfs/dbraw/zinc/47/02/46/708470246.db2.gz BOIBVLZYOVTMGX-UKRRQHHQSA-N 2 2 336.505 1.690 20 0 EDADLP CCc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cs1 ZINC001033659112 708470248 /nfs/dbraw/zinc/47/02/48/708470248.db2.gz BOIBVLZYOVTMGX-UKRRQHHQSA-N 2 2 336.505 1.690 20 0 EDADLP CCc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001033659112 708470250 /nfs/dbraw/zinc/47/02/50/708470250.db2.gz BOIBVLZYOVTMGX-UKRRQHHQSA-N 2 2 336.505 1.690 20 0 EDADLP CCc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001033659112 708470252 /nfs/dbraw/zinc/47/02/52/708470252.db2.gz BOIBVLZYOVTMGX-UKRRQHHQSA-N 2 2 336.505 1.690 20 0 EDADLP CC(C)c1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033659662 708471542 /nfs/dbraw/zinc/47/15/42/708471542.db2.gz DYQQNVIQCGPUSM-LSDHHAIUSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033659662 708471544 /nfs/dbraw/zinc/47/15/44/708471544.db2.gz DYQQNVIQCGPUSM-LSDHHAIUSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001033659662 708471546 /nfs/dbraw/zinc/47/15/46/708471546.db2.gz DYQQNVIQCGPUSM-LSDHHAIUSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033659662 708471547 /nfs/dbraw/zinc/47/15/47/708471547.db2.gz DYQQNVIQCGPUSM-LSDHHAIUSA-N 2 2 334.464 1.782 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033704241 708533482 /nfs/dbraw/zinc/53/34/82/708533482.db2.gz PYQBUCPTGVCLSN-IRXDYDNUSA-N 2 2 346.406 1.289 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033704241 708533484 /nfs/dbraw/zinc/53/34/84/708533484.db2.gz PYQBUCPTGVCLSN-IRXDYDNUSA-N 2 2 346.406 1.289 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC001033707619 708539626 /nfs/dbraw/zinc/53/96/26/708539626.db2.gz SCTSCSZRAYARLO-OAHLLOKOSA-N 2 2 329.404 1.020 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC001033707619 708539627 /nfs/dbraw/zinc/53/96/27/708539627.db2.gz SCTSCSZRAYARLO-OAHLLOKOSA-N 2 2 329.404 1.020 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(C)ncn2)C1 ZINC001033773500 708672149 /nfs/dbraw/zinc/67/21/49/708672149.db2.gz GTZCLPFRZBSUCQ-DLBZAZTESA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001033773500 708672152 /nfs/dbraw/zinc/67/21/52/708672152.db2.gz GTZCLPFRZBSUCQ-DLBZAZTESA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033773500 708672154 /nfs/dbraw/zinc/67/21/54/708672154.db2.gz GTZCLPFRZBSUCQ-DLBZAZTESA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cc(C)ncn2)C1 ZINC001033773500 708672157 /nfs/dbraw/zinc/67/21/57/708672157.db2.gz GTZCLPFRZBSUCQ-DLBZAZTESA-N 2 2 331.464 1.302 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nncn2C)CC1 ZINC001002160647 708674574 /nfs/dbraw/zinc/67/45/74/708674574.db2.gz XXENUINHOZNHCC-INIZCTEOSA-N 2 2 348.495 1.018 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nncn2C)CC1 ZINC001002160647 708674576 /nfs/dbraw/zinc/67/45/76/708674576.db2.gz XXENUINHOZNHCC-INIZCTEOSA-N 2 2 348.495 1.018 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033777340 708704902 /nfs/dbraw/zinc/70/49/02/708704902.db2.gz VEAUFHBHWXYVPA-DOTOQJQBSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001033777340 708704910 /nfs/dbraw/zinc/70/49/10/708704910.db2.gz VEAUFHBHWXYVPA-DOTOQJQBSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001033777340 708704911 /nfs/dbraw/zinc/70/49/11/708704911.db2.gz VEAUFHBHWXYVPA-DOTOQJQBSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001033777340 708704913 /nfs/dbraw/zinc/70/49/13/708704913.db2.gz VEAUFHBHWXYVPA-DOTOQJQBSA-N 2 2 334.464 1.808 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033777749 708705041 /nfs/dbraw/zinc/70/50/41/708705041.db2.gz WEVKWTQEYXWRCK-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033777749 708705043 /nfs/dbraw/zinc/70/50/43/708705043.db2.gz WEVKWTQEYXWRCK-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033777749 708705045 /nfs/dbraw/zinc/70/50/45/708705045.db2.gz WEVKWTQEYXWRCK-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033777749 708705047 /nfs/dbraw/zinc/70/50/47/708705047.db2.gz WEVKWTQEYXWRCK-DOTOQJQBSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033827939 708878304 /nfs/dbraw/zinc/87/83/04/708878304.db2.gz KMIGFNLFFJEMEL-ZWKOTPCHSA-N 2 2 347.507 1.716 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033827939 708878306 /nfs/dbraw/zinc/87/83/06/708878306.db2.gz KMIGFNLFFJEMEL-ZWKOTPCHSA-N 2 2 347.507 1.716 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033827939 708878308 /nfs/dbraw/zinc/87/83/08/708878308.db2.gz KMIGFNLFFJEMEL-ZWKOTPCHSA-N 2 2 347.507 1.716 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001033827939 708878311 /nfs/dbraw/zinc/87/83/11/708878311.db2.gz KMIGFNLFFJEMEL-ZWKOTPCHSA-N 2 2 347.507 1.716 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033877370 708946715 /nfs/dbraw/zinc/94/67/15/708946715.db2.gz BOXIIWJHMZGWOP-LSDHHAIUSA-N 2 2 334.464 1.128 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033877370 708946718 /nfs/dbraw/zinc/94/67/18/708946718.db2.gz BOXIIWJHMZGWOP-LSDHHAIUSA-N 2 2 334.464 1.128 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033877370 708946721 /nfs/dbraw/zinc/94/67/21/708946721.db2.gz BOXIIWJHMZGWOP-LSDHHAIUSA-N 2 2 334.464 1.128 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033877370 708946724 /nfs/dbraw/zinc/94/67/24/708946724.db2.gz BOXIIWJHMZGWOP-LSDHHAIUSA-N 2 2 334.464 1.128 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001033927019 709057357 /nfs/dbraw/zinc/05/73/57/709057357.db2.gz IGFRUMFEVZDHBY-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001033927019 709057361 /nfs/dbraw/zinc/05/73/61/709057361.db2.gz IGFRUMFEVZDHBY-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033927019 709057365 /nfs/dbraw/zinc/05/73/65/709057365.db2.gz IGFRUMFEVZDHBY-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001033927019 709057367 /nfs/dbraw/zinc/05/73/67/709057367.db2.gz IGFRUMFEVZDHBY-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033928362 709059773 /nfs/dbraw/zinc/05/97/73/709059773.db2.gz YQIBGZPHQWRLFZ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033928362 709059777 /nfs/dbraw/zinc/05/97/77/709059777.db2.gz YQIBGZPHQWRLFZ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033928362 709059778 /nfs/dbraw/zinc/05/97/78/709059778.db2.gz YQIBGZPHQWRLFZ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033928362 709059781 /nfs/dbraw/zinc/05/97/81/709059781.db2.gz YQIBGZPHQWRLFZ-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033942091 709148772 /nfs/dbraw/zinc/14/87/72/709148772.db2.gz WTFIRBAYKXTDGD-CJNGLKHVSA-N 2 2 349.479 1.704 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001033942091 709148776 /nfs/dbraw/zinc/14/87/76/709148776.db2.gz WTFIRBAYKXTDGD-CJNGLKHVSA-N 2 2 349.479 1.704 20 0 EDADLP O=C(Cn1cc[nH+]c1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000921959674 709234276 /nfs/dbraw/zinc/23/42/76/709234276.db2.gz IPLATIMBIZURKO-QGZVFWFLSA-N 2 2 325.416 1.806 20 0 EDADLP O=C(Cn1cc[nH+]c1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000921959674 709234278 /nfs/dbraw/zinc/23/42/78/709234278.db2.gz IPLATIMBIZURKO-QGZVFWFLSA-N 2 2 325.416 1.806 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC001034017399 709234583 /nfs/dbraw/zinc/23/45/83/709234583.db2.gz SHRXTCOGRLAUPC-CVEARBPZSA-N 2 2 343.475 1.556 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+]([C@H](C)c2ncccn2)C1 ZINC001034017399 709234585 /nfs/dbraw/zinc/23/45/85/709234585.db2.gz SHRXTCOGRLAUPC-CVEARBPZSA-N 2 2 343.475 1.556 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001034047276 709300446 /nfs/dbraw/zinc/30/04/46/709300446.db2.gz FGTMRLYQFJLEOO-ROUUACIJSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001034047276 709300448 /nfs/dbraw/zinc/30/04/48/709300448.db2.gz FGTMRLYQFJLEOO-ROUUACIJSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001034047276 709300451 /nfs/dbraw/zinc/30/04/51/709300451.db2.gz FGTMRLYQFJLEOO-ROUUACIJSA-N 2 2 346.475 1.225 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC001034047276 709300452 /nfs/dbraw/zinc/30/04/52/709300452.db2.gz FGTMRLYQFJLEOO-ROUUACIJSA-N 2 2 346.475 1.225 20 0 EDADLP COc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001034140097 709390182 /nfs/dbraw/zinc/39/01/82/709390182.db2.gz WWXUYXBYDCZHBO-MAUKXSAKSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001034140097 709390185 /nfs/dbraw/zinc/39/01/85/709390185.db2.gz WWXUYXBYDCZHBO-MAUKXSAKSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001034140097 709390188 /nfs/dbraw/zinc/39/01/88/709390188.db2.gz WWXUYXBYDCZHBO-MAUKXSAKSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001034140097 709390191 /nfs/dbraw/zinc/39/01/91/709390191.db2.gz WWXUYXBYDCZHBO-MAUKXSAKSA-N 2 2 346.475 1.655 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002793640 709401608 /nfs/dbraw/zinc/40/16/08/709401608.db2.gz YJMWSWKJQUAGFS-MRXNPFEDSA-N 2 2 335.452 1.331 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001002860290 709468555 /nfs/dbraw/zinc/46/85/55/709468555.db2.gz LIUHGVXEAXXJGE-RHSMWYFYSA-N 2 2 333.480 1.324 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001002860290 709468556 /nfs/dbraw/zinc/46/85/56/709468556.db2.gz LIUHGVXEAXXJGE-RHSMWYFYSA-N 2 2 333.480 1.324 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@@H+](C[C@H](C)O)C3)ccn12 ZINC001034206460 709552523 /nfs/dbraw/zinc/55/25/23/709552523.db2.gz IJYFYOVWDVLOCD-HOCLYGCPSA-N 2 2 330.432 1.608 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@H+](C[C@H](C)O)C3)ccn12 ZINC001034206460 709552525 /nfs/dbraw/zinc/55/25/25/709552525.db2.gz IJYFYOVWDVLOCD-HOCLYGCPSA-N 2 2 330.432 1.608 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001034214766 709567806 /nfs/dbraw/zinc/56/78/06/709567806.db2.gz PYSHCAQIDLWJSU-JFIYKMOQSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001034214766 709567810 /nfs/dbraw/zinc/56/78/10/709567810.db2.gz PYSHCAQIDLWJSU-JFIYKMOQSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001034214766 709567815 /nfs/dbraw/zinc/56/78/15/709567815.db2.gz PYSHCAQIDLWJSU-JFIYKMOQSA-N 2 2 347.507 1.714 20 0 EDADLP CCn1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001034214766 709567816 /nfs/dbraw/zinc/56/78/16/709567816.db2.gz PYSHCAQIDLWJSU-JFIYKMOQSA-N 2 2 347.507 1.714 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002954641 709654824 /nfs/dbraw/zinc/65/48/24/709654824.db2.gz HEMHUQABCCXGCL-MRXNPFEDSA-N 2 2 331.464 1.432 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001002954641 709654826 /nfs/dbraw/zinc/65/48/26/709654826.db2.gz HEMHUQABCCXGCL-MRXNPFEDSA-N 2 2 331.464 1.432 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269173 709673730 /nfs/dbraw/zinc/67/37/30/709673730.db2.gz AOJOPEHPACTPCB-CJNGLKHVSA-N 2 2 343.431 1.411 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001034269173 709673732 /nfs/dbraw/zinc/67/37/32/709673732.db2.gz AOJOPEHPACTPCB-CJNGLKHVSA-N 2 2 343.431 1.411 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282974 709702570 /nfs/dbraw/zinc/70/25/70/709702570.db2.gz SFYTVXKAWSNYBV-UONOGXRCSA-N 2 2 338.452 1.355 20 0 EDADLP CO[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282974 709702572 /nfs/dbraw/zinc/70/25/72/709702572.db2.gz SFYTVXKAWSNYBV-UONOGXRCSA-N 2 2 338.452 1.355 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001034308454 709748280 /nfs/dbraw/zinc/74/82/80/709748280.db2.gz BRSBPOMPWGROSL-UKRRQHHQSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+]([C@H](C)c2nnc(C)o2)C1 ZINC001034308454 709748283 /nfs/dbraw/zinc/74/82/83/709748283.db2.gz BRSBPOMPWGROSL-UKRRQHHQSA-N 2 2 346.435 1.615 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC001003011192 709783008 /nfs/dbraw/zinc/78/30/08/709783008.db2.gz NIEDPFHBPKAOPS-INIZCTEOSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC001003011192 709783010 /nfs/dbraw/zinc/78/30/10/709783010.db2.gz NIEDPFHBPKAOPS-INIZCTEOSA-N 2 2 349.479 1.722 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3cnns3)C2)CC1 ZINC001034378516 709899973 /nfs/dbraw/zinc/89/99/73/709899973.db2.gz UMCBZSPCFIZFIJ-CQSZACIVSA-N 2 2 337.493 1.351 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3cnns3)C2)CC1 ZINC001034378516 709899978 /nfs/dbraw/zinc/89/99/78/709899978.db2.gz UMCBZSPCFIZFIJ-CQSZACIVSA-N 2 2 337.493 1.351 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)no1 ZINC001034396412 709935540 /nfs/dbraw/zinc/93/55/40/709935540.db2.gz FNOBSNCYWSDJEQ-HOCLYGCPSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)no1 ZINC001034396412 709935541 /nfs/dbraw/zinc/93/55/41/709935541.db2.gz FNOBSNCYWSDJEQ-HOCLYGCPSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)no1 ZINC001034396412 709935543 /nfs/dbraw/zinc/93/55/43/709935543.db2.gz FNOBSNCYWSDJEQ-HOCLYGCPSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)no1 ZINC001034396412 709935544 /nfs/dbraw/zinc/93/55/44/709935544.db2.gz FNOBSNCYWSDJEQ-HOCLYGCPSA-N 2 2 334.464 1.938 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001003142242 710036833 /nfs/dbraw/zinc/03/68/33/710036833.db2.gz BTQWVSMFIFQPFH-RDJZCZTQSA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001003142242 710036837 /nfs/dbraw/zinc/03/68/37/710036837.db2.gz BTQWVSMFIFQPFH-RDJZCZTQSA-N 2 2 347.463 1.476 20 0 EDADLP Cn1nccc1C[NH+]1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001003156142 710058666 /nfs/dbraw/zinc/05/86/66/710058666.db2.gz KIVAYRSYQVDSJU-UHFFFAOYSA-N 2 2 338.415 1.691 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001003192113 710088392 /nfs/dbraw/zinc/08/83/92/710088392.db2.gz DZINDFKYPDQGTQ-CVEARBPZSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001003192114 710088407 /nfs/dbraw/zinc/08/84/07/710088407.db2.gz DZINDFKYPDQGTQ-HOTGVXAUSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001034490697 710109845 /nfs/dbraw/zinc/10/98/45/710109845.db2.gz MTWJQFKFFJDUMR-RDJZCZTQSA-N 2 2 334.464 1.502 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001034490697 710109848 /nfs/dbraw/zinc/10/98/48/710109848.db2.gz MTWJQFKFFJDUMR-RDJZCZTQSA-N 2 2 334.464 1.502 20 0 EDADLP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003193227 710128017 /nfs/dbraw/zinc/12/80/17/710128017.db2.gz MUQKPJGDKHSCJP-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@@H](c1ncccn1)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529420 710183846 /nfs/dbraw/zinc/18/38/46/710183846.db2.gz ZXRZHSDQRYKODI-JKSUJKDBSA-N 2 2 331.464 1.604 20 0 EDADLP C[C@@H](c1ncccn1)[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529420 710183848 /nfs/dbraw/zinc/18/38/48/710183848.db2.gz ZXRZHSDQRYKODI-JKSUJKDBSA-N 2 2 331.464 1.604 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034537450 710209627 /nfs/dbraw/zinc/20/96/27/710209627.db2.gz BVEVJVZAIJUGBY-SJLPKXTDSA-N 2 2 347.507 1.765 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccn(C)n2)C1 ZINC001034537450 710209628 /nfs/dbraw/zinc/20/96/28/710209628.db2.gz BVEVJVZAIJUGBY-SJLPKXTDSA-N 2 2 347.507 1.765 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccn(C)n2)C1 ZINC001034537450 710209630 /nfs/dbraw/zinc/20/96/30/710209630.db2.gz BVEVJVZAIJUGBY-SJLPKXTDSA-N 2 2 347.507 1.765 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001034537450 710209631 /nfs/dbraw/zinc/20/96/31/710209631.db2.gz BVEVJVZAIJUGBY-SJLPKXTDSA-N 2 2 347.507 1.765 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001034547492 710221789 /nfs/dbraw/zinc/22/17/89/710221789.db2.gz SAIJEICDNNFIKU-QGZVFWFLSA-N 2 2 344.463 1.367 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001034547492 710221791 /nfs/dbraw/zinc/22/17/91/710221791.db2.gz SAIJEICDNNFIKU-QGZVFWFLSA-N 2 2 344.463 1.367 20 0 EDADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001003318577 710247275 /nfs/dbraw/zinc/24/72/75/710247275.db2.gz LUNAJIIUDRLKRB-GFCCVEGCSA-N 2 2 332.408 1.225 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003629373 710459039 /nfs/dbraw/zinc/45/90/39/710459039.db2.gz ZZCQZVXIWSYIIU-CHWSQXEVSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003629373 710459040 /nfs/dbraw/zinc/45/90/40/710459040.db2.gz ZZCQZVXIWSYIIU-CHWSQXEVSA-N 2 2 335.452 1.361 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001005580249 710610017 /nfs/dbraw/zinc/61/00/17/710610017.db2.gz KNKSFCYTRYIFHB-HNNXBMFYSA-N 2 2 336.480 1.884 20 0 EDADLP CC[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001005583365 710625332 /nfs/dbraw/zinc/62/53/32/710625332.db2.gz JHAIGDMESCXVAN-INIZCTEOSA-N 2 2 343.431 1.363 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)C2CC[NH+](C[C@H]3CCOC3)CC2)c[nH+]1 ZINC001005584420 710628590 /nfs/dbraw/zinc/62/85/90/710628590.db2.gz ZPQFWVCNJLBILW-MRXNPFEDSA-N 2 2 348.491 1.886 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001003846566 710691840 /nfs/dbraw/zinc/69/18/40/710691840.db2.gz PPLZIIFMYRCGLC-INIZCTEOSA-N 2 2 334.464 1.474 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001034684558 710705531 /nfs/dbraw/zinc/70/55/31/710705531.db2.gz WJOVOPHHIPXAHX-YVSFHVDLSA-N 2 2 346.475 1.499 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)CC1 ZINC001034692371 710780710 /nfs/dbraw/zinc/78/07/10/710780710.db2.gz IXXZWKYNNKKZTK-QEJZJMRPSA-N 2 2 346.435 1.661 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032946737 710929550 /nfs/dbraw/zinc/92/95/50/710929550.db2.gz YLVRZRQKEQZIPU-DOTOQJQBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032946737 710929552 /nfs/dbraw/zinc/92/95/52/710929552.db2.gz YLVRZRQKEQZIPU-DOTOQJQBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001032946737 710929556 /nfs/dbraw/zinc/92/95/56/710929556.db2.gz YLVRZRQKEQZIPU-DOTOQJQBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001032946737 710929560 /nfs/dbraw/zinc/92/95/60/710929560.db2.gz YLVRZRQKEQZIPU-DOTOQJQBSA-N 2 2 332.448 1.217 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c(C)s1 ZINC001032960028 710966966 /nfs/dbraw/zinc/96/69/66/710966966.db2.gz LQECGUDWXJWIGC-GOEBONIOSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c(C)s1 ZINC001032960028 710966967 /nfs/dbraw/zinc/96/69/67/710966967.db2.gz LQECGUDWXJWIGC-GOEBONIOSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c(C)s1 ZINC001032960028 710966971 /nfs/dbraw/zinc/96/69/71/710966971.db2.gz LQECGUDWXJWIGC-GOEBONIOSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)s1 ZINC001032960028 710966975 /nfs/dbraw/zinc/96/69/75/710966975.db2.gz LQECGUDWXJWIGC-GOEBONIOSA-N 2 2 336.505 1.887 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)CC1 ZINC001034763282 711034932 /nfs/dbraw/zinc/03/49/32/711034932.db2.gz IBLXSMCYYBFVIA-WKILWMFISA-N 2 2 334.464 1.786 20 0 EDADLP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001034786174 711089509 /nfs/dbraw/zinc/08/95/09/711089509.db2.gz KJVDGBAHDXFXNQ-HDJSIYSDSA-N 2 2 345.451 1.089 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001034786356 711091064 /nfs/dbraw/zinc/09/10/64/711091064.db2.gz NDTGXKHRGZAUHJ-TUUVXOQKSA-N 2 2 334.464 1.845 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1 ZINC001032977833 711095111 /nfs/dbraw/zinc/09/51/11/711095111.db2.gz VEKRAFLGJAPLMI-APTSRADASA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001032977833 711095114 /nfs/dbraw/zinc/09/51/14/711095114.db2.gz VEKRAFLGJAPLMI-APTSRADASA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC001032977833 711095117 /nfs/dbraw/zinc/09/51/17/711095117.db2.gz VEKRAFLGJAPLMI-APTSRADASA-N 2 2 343.471 1.563 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](C/C=C/c2ccccc2)C1 ZINC001032977833 711095120 /nfs/dbraw/zinc/09/51/20/711095120.db2.gz VEKRAFLGJAPLMI-APTSRADASA-N 2 2 343.471 1.563 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2csnn2)CC1 ZINC001034794268 711110160 /nfs/dbraw/zinc/11/01/60/711110160.db2.gz FGZBXZUJXACWDQ-UBHSHLNASA-N 2 2 348.476 1.821 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1 ZINC001034793565 711123875 /nfs/dbraw/zinc/12/38/75/711123875.db2.gz IGAIBRWXOGHOGK-JOCQHMNTSA-N 2 2 334.449 1.260 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC001034793633 711124360 /nfs/dbraw/zinc/12/43/60/711124360.db2.gz LLKVFPLZZKLRFU-SHTZXODSSA-N 2 2 331.420 1.705 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ncccn3)CC2)C1 ZINC001003967212 711137709 /nfs/dbraw/zinc/13/77/09/711137709.db2.gz JMQLLWMCEVFRON-DOTOQJQBSA-N 2 2 345.491 1.678 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001034799784 711137992 /nfs/dbraw/zinc/13/79/92/711137992.db2.gz PADPQMVQKRNZBN-HDJSIYSDSA-N 2 2 346.435 1.607 20 0 EDADLP CCn1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001034801027 711140385 /nfs/dbraw/zinc/14/03/85/711140385.db2.gz DSXLOVBGFADAOS-SHTZXODSSA-N 2 2 345.451 1.020 20 0 EDADLP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)no1 ZINC001034831923 711238155 /nfs/dbraw/zinc/23/81/55/711238155.db2.gz ZMMZQYVAOWCRNC-QGZVFWFLSA-N 2 2 342.443 1.841 20 0 EDADLP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)no1 ZINC001034831923 711238156 /nfs/dbraw/zinc/23/81/56/711238156.db2.gz ZMMZQYVAOWCRNC-QGZVFWFLSA-N 2 2 342.443 1.841 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001004052385 711340118 /nfs/dbraw/zinc/34/01/18/711340118.db2.gz HSFZRUFDTHFRHD-UKRRQHHQSA-N 2 2 334.464 1.656 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2F)C1 ZINC001034890987 711347176 /nfs/dbraw/zinc/34/71/76/711347176.db2.gz LDHMLDTZUDLEBE-NVXWUHKLSA-N 2 2 335.423 1.237 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2F)C1 ZINC001034890987 711347181 /nfs/dbraw/zinc/34/71/81/711347181.db2.gz LDHMLDTZUDLEBE-NVXWUHKLSA-N 2 2 335.423 1.237 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001034958622 711432433 /nfs/dbraw/zinc/43/24/33/711432433.db2.gz KVVNIEXUWMWNEY-JKSUJKDBSA-N 2 2 349.479 1.722 20 0 EDADLP Cc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001034958622 711432434 /nfs/dbraw/zinc/43/24/34/711432434.db2.gz KVVNIEXUWMWNEY-JKSUJKDBSA-N 2 2 349.479 1.722 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])CCCC2)no1 ZINC000261722525 282150998 /nfs/dbraw/zinc/15/09/98/282150998.db2.gz KEOZWJAAJXFEBM-QWHCGFSZSA-N 2 2 335.452 1.534 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294634 282224145 /nfs/dbraw/zinc/22/41/45/282224145.db2.gz MDHLFEWKLHIGHY-CEXWTWQISA-N 2 2 345.487 1.829 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294634 282224147 /nfs/dbraw/zinc/22/41/47/282224147.db2.gz MDHLFEWKLHIGHY-CEXWTWQISA-N 2 2 345.487 1.829 20 0 EDADLP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CC(=O)N(C)C1=O ZINC000559079334 306250185 /nfs/dbraw/zinc/25/01/85/306250185.db2.gz DHOKKQFAWIFHDQ-CQSZACIVSA-N 2 2 332.429 1.903 20 0 EDADLP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CC(=O)N(C)C1=O ZINC000559079334 306250186 /nfs/dbraw/zinc/25/01/86/306250186.db2.gz DHOKKQFAWIFHDQ-CQSZACIVSA-N 2 2 332.429 1.903 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000158995493 282267795 /nfs/dbraw/zinc/26/77/95/282267795.db2.gz AXVYCSPXAHEORS-HNNXBMFYSA-N 2 2 339.915 1.984 20 0 EDADLP Cc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000158995493 282267796 /nfs/dbraw/zinc/26/77/96/282267796.db2.gz AXVYCSPXAHEORS-HNNXBMFYSA-N 2 2 339.915 1.984 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000347896901 539328170 /nfs/dbraw/zinc/32/81/70/539328170.db2.gz YMECVPUHMITIGG-MRXNPFEDSA-N 2 2 333.480 1.952 20 0 EDADLP C[N@H+](CC(=O)N1CCCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116463 282342793 /nfs/dbraw/zinc/34/27/93/282342793.db2.gz CUVAWMFXVMFDST-SFHVURJKSA-N 2 2 336.524 1.489 20 0 EDADLP C[N@@H+](CC(=O)N1CCCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116463 282342795 /nfs/dbraw/zinc/34/27/95/282342795.db2.gz CUVAWMFXVMFDST-SFHVURJKSA-N 2 2 336.524 1.489 20 0 EDADLP CN(CC(=O)N1CCCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367116463 282342796 /nfs/dbraw/zinc/34/27/96/282342796.db2.gz CUVAWMFXVMFDST-SFHVURJKSA-N 2 2 336.524 1.489 20 0 EDADLP CN(CC(=O)N1CCCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367116463 282342797 /nfs/dbraw/zinc/34/27/97/282342797.db2.gz CUVAWMFXVMFDST-SFHVURJKSA-N 2 2 336.524 1.489 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000434392281 305121658 /nfs/dbraw/zinc/12/16/58/305121658.db2.gz ZUVYSYLXAVMFSX-QGZVFWFLSA-N 2 2 342.528 1.857 20 0 EDADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000561748663 306290491 /nfs/dbraw/zinc/29/04/91/306290491.db2.gz OLHQSJCKHUSQOE-HIFRSBDPSA-N 2 2 326.404 1.361 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)C2CCCCC2)CC1 ZINC000562280871 306294392 /nfs/dbraw/zinc/29/43/92/306294392.db2.gz PPRIGKONHMUEGX-QGZVFWFLSA-N 2 2 326.481 1.935 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412692207 304027409 /nfs/dbraw/zinc/02/74/09/304027409.db2.gz CWZROHWFMDBELX-ROUUACIJSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412692207 304027410 /nfs/dbraw/zinc/02/74/10/304027410.db2.gz CWZROHWFMDBELX-ROUUACIJSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000353287104 539932447 /nfs/dbraw/zinc/93/24/47/539932447.db2.gz OFXBCWNAIMSWOD-UMPJEAMMSA-N 2 2 332.448 1.684 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000353287104 539932450 /nfs/dbraw/zinc/93/24/50/539932450.db2.gz OFXBCWNAIMSWOD-UMPJEAMMSA-N 2 2 332.448 1.684 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000562794812 306309204 /nfs/dbraw/zinc/30/92/04/306309204.db2.gz QWEPFAKWMUFPOI-MAUKXSAKSA-N 2 2 346.475 1.459 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c[nH+]1 ZINC000562789145 306309050 /nfs/dbraw/zinc/30/90/50/306309050.db2.gz ADPLSXLHRUIVIM-HOTGVXAUSA-N 2 2 331.464 1.679 20 0 EDADLP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000563219457 306324001 /nfs/dbraw/zinc/32/40/01/306324001.db2.gz PHSRRPFMXAVGSD-QGZVFWFLSA-N 3 2 347.507 1.901 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000291185755 540090947 /nfs/dbraw/zinc/09/09/47/540090947.db2.gz KCMNFNWFLPYNBD-INIZCTEOSA-N 2 2 330.457 1.826 20 0 EDADLP Cc1nc(N2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)cc[nH+]1 ZINC000183792464 235228281 /nfs/dbraw/zinc/22/82/81/235228281.db2.gz OEAVSXMMBWJHPP-SFHVURJKSA-N 2 2 326.444 1.901 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000195637584 540188003 /nfs/dbraw/zinc/18/80/03/540188003.db2.gz PBOGSNOMIIZXFA-VVLHAWIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC000195637584 540188004 /nfs/dbraw/zinc/18/80/04/540188004.db2.gz PBOGSNOMIIZXFA-VVLHAWIVSA-N 2 2 340.512 1.373 20 0 EDADLP Cc1coc(-c2cccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2)n1 ZINC000563469934 306334984 /nfs/dbraw/zinc/33/49/84/306334984.db2.gz JEJOGYJENLYTDX-OAHLLOKOSA-N 2 2 329.404 1.757 20 0 EDADLP Cc1coc(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2)n1 ZINC000563469934 306334985 /nfs/dbraw/zinc/33/49/85/306334985.db2.gz JEJOGYJENLYTDX-OAHLLOKOSA-N 2 2 329.404 1.757 20 0 EDADLP Cn1ncc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1-c1ccccc1 ZINC000563497847 306335693 /nfs/dbraw/zinc/33/56/93/306335693.db2.gz KNMOHYBLKOCMLC-CQSZACIVSA-N 2 2 328.420 1.194 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]CCOc1ccc(Br)cc1)C1CC1 ZINC000563528704 306337399 /nfs/dbraw/zinc/33/73/99/306337399.db2.gz BKJFAWVUIBORCM-AWEZNQCLSA-N 2 2 343.265 1.873 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOc1ccc(Br)cc1)C1CC1 ZINC000563528704 306337400 /nfs/dbraw/zinc/33/74/00/306337400.db2.gz BKJFAWVUIBORCM-AWEZNQCLSA-N 2 2 343.265 1.873 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859140 138202197 /nfs/dbraw/zinc/20/21/97/138202197.db2.gz IYCCTTRPQDVDJU-IXDOHACOSA-N 2 2 325.497 1.724 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859140 138202199 /nfs/dbraw/zinc/20/21/99/138202199.db2.gz IYCCTTRPQDVDJU-IXDOHACOSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000563535609 306337834 /nfs/dbraw/zinc/33/78/34/306337834.db2.gz JGHHEGAPQRNHKD-KRWDZBQOSA-N 2 2 333.476 1.803 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000563535609 306337835 /nfs/dbraw/zinc/33/78/35/306337835.db2.gz JGHHEGAPQRNHKD-KRWDZBQOSA-N 2 2 333.476 1.803 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1 ZINC000020950923 202060054 /nfs/dbraw/zinc/06/00/54/202060054.db2.gz CFSQUYCDSNVXGI-UHFFFAOYSA-N 2 2 331.460 1.096 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000073722389 138220803 /nfs/dbraw/zinc/22/08/03/138220803.db2.gz YQUGBYUJUGMILK-DLBZAZTESA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000078538965 138257676 /nfs/dbraw/zinc/25/76/76/138257676.db2.gz AQDVLFSFLUJYIV-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000078538965 138257677 /nfs/dbraw/zinc/25/76/77/138257677.db2.gz AQDVLFSFLUJYIV-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CC1([NH+]3CCOCC3)CCCC1)C2 ZINC000119747187 138314560 /nfs/dbraw/zinc/31/45/60/138314560.db2.gz SKNGWJVNJVAKHB-MRXNPFEDSA-N 2 2 346.475 1.658 20 0 EDADLP CN(C(=O)c1ccnn1C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124690282 138328875 /nfs/dbraw/zinc/32/88/75/138328875.db2.gz ORYZUANOMLXEKZ-DLBZAZTESA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1ccnn1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124690282 138328876 /nfs/dbraw/zinc/32/88/76/138328876.db2.gz ORYZUANOMLXEKZ-DLBZAZTESA-N 2 2 347.507 1.829 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000124932277 138330815 /nfs/dbraw/zinc/33/08/15/138330815.db2.gz OODADBVCABFQTD-WMLDXEAASA-N 2 2 335.423 1.362 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000124932277 138330816 /nfs/dbraw/zinc/33/08/16/138330816.db2.gz OODADBVCABFQTD-WMLDXEAASA-N 2 2 335.423 1.362 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000123947942 138322516 /nfs/dbraw/zinc/32/25/16/138322516.db2.gz YSCMHQAPPOSUPW-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000563615132 306342028 /nfs/dbraw/zinc/34/20/28/306342028.db2.gz YSJWAFZFBLUKOT-XHSDSOJGSA-N 2 2 346.479 1.186 20 0 EDADLP Cc1cc(Br)cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000563796990 306347382 /nfs/dbraw/zinc/34/73/82/306347382.db2.gz IRXARLXKBDFZNU-CYBMUJFWSA-N 2 2 341.253 1.864 20 0 EDADLP Cc1cc(Br)cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000563796990 306347383 /nfs/dbraw/zinc/34/73/83/306347383.db2.gz IRXARLXKBDFZNU-CYBMUJFWSA-N 2 2 341.253 1.864 20 0 EDADLP C[C@@H](CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[NH+](C)C ZINC000458367041 295960686 /nfs/dbraw/zinc/96/06/86/295960686.db2.gz MDHAHMULJZNWEN-FUHWJXTLSA-N 2 2 348.491 1.179 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000563890165 306351636 /nfs/dbraw/zinc/35/16/36/306351636.db2.gz DAGQQYMPFMRFPS-CYBMUJFWSA-N 2 2 331.420 1.783 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000270016100 283324478 /nfs/dbraw/zinc/32/44/78/283324478.db2.gz DBDUEULDPASVPJ-AWEZNQCLSA-N 2 2 342.403 1.181 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000270016100 283324480 /nfs/dbraw/zinc/32/44/80/283324480.db2.gz DBDUEULDPASVPJ-AWEZNQCLSA-N 2 2 342.403 1.181 20 0 EDADLP Cc1nccnc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000187855951 236318986 /nfs/dbraw/zinc/31/89/86/236318986.db2.gz NYFNHYWZUYFPNW-OAHLLOKOSA-N 2 2 326.448 1.783 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000364661421 283342248 /nfs/dbraw/zinc/34/22/48/283342248.db2.gz RTSHRZRZIGFJCO-DKIMLUQUSA-N 2 2 331.435 1.638 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000364661421 283342249 /nfs/dbraw/zinc/34/22/49/283342249.db2.gz RTSHRZRZIGFJCO-DKIMLUQUSA-N 2 2 331.435 1.638 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[NH+]1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000364661421 283342250 /nfs/dbraw/zinc/34/22/50/283342250.db2.gz RTSHRZRZIGFJCO-DKIMLUQUSA-N 2 2 331.435 1.638 20 0 EDADLP NC(=O)[C@H](Cc1ccc(F)cc1)[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000364661421 283342251 /nfs/dbraw/zinc/34/22/51/283342251.db2.gz RTSHRZRZIGFJCO-DKIMLUQUSA-N 2 2 331.435 1.638 20 0 EDADLP O[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCCC1 ZINC000564074261 306354841 /nfs/dbraw/zinc/35/48/41/306354841.db2.gz NTBYOCKDXPGEGK-SUMDDJOVSA-N 3 2 331.460 1.289 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564209601 306357087 /nfs/dbraw/zinc/35/70/87/306357087.db2.gz YZOCPZQEMJJTEM-QSJFSLAZSA-N 2 2 329.460 1.280 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564209601 306357088 /nfs/dbraw/zinc/35/70/88/306357088.db2.gz YZOCPZQEMJJTEM-QSJFSLAZSA-N 2 2 329.460 1.280 20 0 EDADLP COc1ccccc1CN1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000565157626 306376372 /nfs/dbraw/zinc/37/63/72/306376372.db2.gz QFXXUBLGTPJRRF-GDBMZVCRSA-N 2 2 345.443 1.254 20 0 EDADLP COc1ccccc1CN1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000565157626 306376373 /nfs/dbraw/zinc/37/63/73/306376373.db2.gz QFXXUBLGTPJRRF-GDBMZVCRSA-N 2 2 345.443 1.254 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccn(-c4ccccc4)n3)C2)nn1 ZINC000565468534 306384747 /nfs/dbraw/zinc/38/47/47/306384747.db2.gz STBJXRKRQXLFLX-SFHVURJKSA-N 2 2 337.431 1.760 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccn(-c4ccccc4)n3)C2)nn1 ZINC000565468534 306384748 /nfs/dbraw/zinc/38/47/48/306384748.db2.gz STBJXRKRQXLFLX-SFHVURJKSA-N 2 2 337.431 1.760 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000072857799 216319334 /nfs/dbraw/zinc/31/93/34/216319334.db2.gz HYSQNUGGKSHSNY-HRCADAONSA-N 2 2 338.496 1.665 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000072857799 216319336 /nfs/dbraw/zinc/31/93/36/216319336.db2.gz HYSQNUGGKSHSNY-HRCADAONSA-N 2 2 338.496 1.665 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000072857799 216319337 /nfs/dbraw/zinc/31/93/37/216319337.db2.gz HYSQNUGGKSHSNY-HRCADAONSA-N 2 2 338.496 1.665 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000072857799 216319341 /nfs/dbraw/zinc/31/93/41/216319341.db2.gz HYSQNUGGKSHSNY-HRCADAONSA-N 2 2 338.496 1.665 20 0 EDADLP Cc1cccc([C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C(F)(F)F)c1 ZINC000565586922 306387287 /nfs/dbraw/zinc/38/72/87/306387287.db2.gz OWTYEUIQJCFCIN-KBPBESRZSA-N 2 2 344.381 1.883 20 0 EDADLP Cc1cccc([C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C(F)(F)F)c1 ZINC000565586922 306387288 /nfs/dbraw/zinc/38/72/88/306387288.db2.gz OWTYEUIQJCFCIN-KBPBESRZSA-N 2 2 344.381 1.883 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000565588128 306387209 /nfs/dbraw/zinc/38/72/09/306387209.db2.gz ZLCNZHMRCJBXIJ-CRAIPNDOSA-N 2 2 346.475 1.316 20 0 EDADLP Cc1cccc([C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C(F)(F)F)c1 ZINC000565586925 306387354 /nfs/dbraw/zinc/38/73/54/306387354.db2.gz OWTYEUIQJCFCIN-ZIAGYGMSSA-N 2 2 344.381 1.883 20 0 EDADLP Cc1cccc([C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C(F)(F)F)c1 ZINC000565586925 306387355 /nfs/dbraw/zinc/38/73/55/306387355.db2.gz OWTYEUIQJCFCIN-ZIAGYGMSSA-N 2 2 344.381 1.883 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000414352526 304110437 /nfs/dbraw/zinc/11/04/37/304110437.db2.gz XAYYENIKTWESDL-XJKSGUPXSA-N 2 2 333.432 1.874 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000414352526 304110439 /nfs/dbraw/zinc/11/04/39/304110439.db2.gz XAYYENIKTWESDL-XJKSGUPXSA-N 2 2 333.432 1.874 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@H]1Oc1ccccc1 ZINC000566130947 306399309 /nfs/dbraw/zinc/39/93/09/306399309.db2.gz FVFAHXJZNWVGOT-GDAAHCPNSA-N 2 2 334.460 1.656 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@H]1Oc1ccccc1 ZINC000566130947 306399310 /nfs/dbraw/zinc/39/93/10/306399310.db2.gz FVFAHXJZNWVGOT-GDAAHCPNSA-N 2 2 334.460 1.656 20 0 EDADLP C[C@H](O)[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000414578560 304123085 /nfs/dbraw/zinc/12/30/85/304123085.db2.gz IERPALMJHRIBBU-OXJNMPFZSA-N 2 2 347.503 1.799 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000344860163 299356849 /nfs/dbraw/zinc/35/68/49/299356849.db2.gz VEXWUCZPDHTPMX-YRWGSWDYSA-N 2 2 332.448 1.629 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000414707867 304130924 /nfs/dbraw/zinc/13/09/24/304130924.db2.gz ZHHBXSVJTLRRMU-OKZBNKHCSA-N 2 2 338.540 1.672 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495616033 296129837 /nfs/dbraw/zinc/12/98/37/296129837.db2.gz KHZJJDIJNUVMLC-UKRRQHHQSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495616033 296129838 /nfs/dbraw/zinc/12/98/38/296129838.db2.gz KHZJJDIJNUVMLC-UKRRQHHQSA-N 2 2 326.485 1.077 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000072859217 203248412 /nfs/dbraw/zinc/24/84/12/203248412.db2.gz IGYMWMRGLITAKC-HOTGVXAUSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000072859217 203248416 /nfs/dbraw/zinc/24/84/16/203248416.db2.gz IGYMWMRGLITAKC-HOTGVXAUSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000072859217 203248417 /nfs/dbraw/zinc/24/84/17/203248417.db2.gz IGYMWMRGLITAKC-HOTGVXAUSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccccc2OC)C1 ZINC000072859217 203248421 /nfs/dbraw/zinc/24/84/21/203248421.db2.gz IGYMWMRGLITAKC-HOTGVXAUSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072858342 203249402 /nfs/dbraw/zinc/24/94/02/203249402.db2.gz XRIGQWQTLDHYDK-UONOGXRCSA-N 2 2 332.448 1.386 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072858342 203249404 /nfs/dbraw/zinc/24/94/04/203249404.db2.gz XRIGQWQTLDHYDK-UONOGXRCSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072858342 203249407 /nfs/dbraw/zinc/24/94/07/203249407.db2.gz XRIGQWQTLDHYDK-UONOGXRCSA-N 2 2 332.448 1.386 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072858342 203249409 /nfs/dbraw/zinc/24/94/09/203249409.db2.gz XRIGQWQTLDHYDK-UONOGXRCSA-N 2 2 332.448 1.386 20 0 EDADLP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2C[NH2+]CCO2)CC1 ZINC000415093327 304158946 /nfs/dbraw/zinc/15/89/46/304158946.db2.gz HUSMYBINIHETJU-AWEZNQCLSA-N 2 2 337.851 1.523 20 0 EDADLP [NH3+]CCc1nc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cs1 ZINC000194830148 139000941 /nfs/dbraw/zinc/00/09/41/139000941.db2.gz VNHVSECSOLAQBE-UHFFFAOYSA-N 2 2 328.401 1.155 20 0 EDADLP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000105141085 204135620 /nfs/dbraw/zinc/13/56/20/204135620.db2.gz CHQWDLPAWUTPHO-HZPDHXFCSA-N 2 2 348.491 1.657 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3noc(-c4ccccc4)n3)C2)CC1 ZINC000107370548 204234879 /nfs/dbraw/zinc/23/48/79/204234879.db2.gz VCMBYBDHPDHLEA-QGZVFWFLSA-N 2 2 341.459 1.948 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3noc(-c4ccccc4)n3)C2)CC1 ZINC000107370548 204234883 /nfs/dbraw/zinc/23/48/83/204234883.db2.gz VCMBYBDHPDHLEA-QGZVFWFLSA-N 2 2 341.459 1.948 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794401 204293304 /nfs/dbraw/zinc/29/33/04/204293304.db2.gz YCWAMRIKMZWTPS-CYBMUJFWSA-N 2 2 341.415 1.646 20 0 EDADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)N1CC[NH+](Cc2cccs2)CC1 ZINC000111317168 204348968 /nfs/dbraw/zinc/34/89/68/204348968.db2.gz CCMJDPVEPQBMNV-XYPWUTKMSA-N 2 2 349.500 1.380 20 0 EDADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2)N1CC[NH+](Cc2cccs2)CC1 ZINC000111317168 204348971 /nfs/dbraw/zinc/34/89/71/204348971.db2.gz CCMJDPVEPQBMNV-XYPWUTKMSA-N 2 2 349.500 1.380 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000236945844 139035778 /nfs/dbraw/zinc/03/57/78/139035778.db2.gz MVZJQGXYRFGVKM-OAHLLOKOSA-N 2 2 335.448 1.306 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000236945844 139035779 /nfs/dbraw/zinc/03/57/79/139035779.db2.gz MVZJQGXYRFGVKM-OAHLLOKOSA-N 2 2 335.448 1.306 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@@H]2CSC[NH2+]2)[NH+]2CCCC2)c1 ZINC000237313624 139047469 /nfs/dbraw/zinc/04/74/69/139047469.db2.gz WBERVABMAWVYFB-HOTGVXAUSA-N 2 2 335.473 1.611 20 0 EDADLP C[C@@]1(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCCO1 ZINC000237360960 139049197 /nfs/dbraw/zinc/04/91/97/139049197.db2.gz RXPSJASVHMOMMD-HKUYNNGSSA-N 2 2 342.443 1.487 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000237665613 139057416 /nfs/dbraw/zinc/05/74/16/139057416.db2.gz JFWFXOQQRNMWST-QGZVFWFLSA-N 2 2 326.400 1.865 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000237947732 139064738 /nfs/dbraw/zinc/06/47/38/139064738.db2.gz AFVZZKLOUZTRSX-UHFFFAOYSA-N 2 2 345.487 1.989 20 0 EDADLP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000238035611 139067293 /nfs/dbraw/zinc/06/72/93/139067293.db2.gz PMCSTKLDHKUTNH-IRXDYDNUSA-N 2 2 331.460 1.727 20 0 EDADLP O[C@H](C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)C[NH+]1CCCC1 ZINC000238123204 139069218 /nfs/dbraw/zinc/06/92/18/139069218.db2.gz CZTPZEWLFQAZKA-GOSISDBHSA-N 3 2 339.524 1.315 20 0 EDADLP O[C@H](CNCC1(C[NH+]2CCOCC2)CCCCC1)C[NH+]1CCCC1 ZINC000238123204 139069219 /nfs/dbraw/zinc/06/92/19/139069219.db2.gz CZTPZEWLFQAZKA-GOSISDBHSA-N 2 2 339.524 1.315 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CN(C)CCO3)n2)C1 ZINC000245470745 139076545 /nfs/dbraw/zinc/07/65/45/139076545.db2.gz WTNKULHECFFVOL-TZMCWYRMSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3C[NH+](C)CCO3)n2)C1 ZINC000245470745 139076546 /nfs/dbraw/zinc/07/65/46/139076546.db2.gz WTNKULHECFFVOL-TZMCWYRMSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3C[NH+](C)CCO3)n2)C1 ZINC000245470745 139076547 /nfs/dbraw/zinc/07/65/47/139076547.db2.gz WTNKULHECFFVOL-TZMCWYRMSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3C[N@H+](C)CCO3)n2)C1 ZINC000245470745 139076548 /nfs/dbraw/zinc/07/65/48/139076548.db2.gz WTNKULHECFFVOL-TZMCWYRMSA-N 2 2 338.477 1.644 20 0 EDADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)[C@H]3C[N@@H+](C)CCO3)n2)C1 ZINC000245470745 139076549 /nfs/dbraw/zinc/07/65/49/139076549.db2.gz WTNKULHECFFVOL-TZMCWYRMSA-N 2 2 338.477 1.644 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245502007 139077088 /nfs/dbraw/zinc/07/70/88/139077088.db2.gz BKLKZYABYDTKQU-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000245502007 139077089 /nfs/dbraw/zinc/07/70/89/139077089.db2.gz BKLKZYABYDTKQU-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245585282 139080250 /nfs/dbraw/zinc/08/02/50/139080250.db2.gz JPQFZEYOVWWTPN-DLBZAZTESA-N 2 2 336.480 1.945 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245585282 139080251 /nfs/dbraw/zinc/08/02/51/139080251.db2.gz JPQFZEYOVWWTPN-DLBZAZTESA-N 2 2 336.480 1.945 20 0 EDADLP CCCCn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NCC[NH3+])c1 ZINC000415264335 304181364 /nfs/dbraw/zinc/18/13/64/304181364.db2.gz CDGWYXXMTUSVSF-UHFFFAOYSA-N 2 2 329.404 1.364 20 0 EDADLP [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000415273514 304182894 /nfs/dbraw/zinc/18/28/94/304182894.db2.gz VLQDDMIBAYWRNY-UHFFFAOYSA-N 2 2 340.383 1.762 20 0 EDADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000567779358 306462912 /nfs/dbraw/zinc/46/29/12/306462912.db2.gz LPCKAPRSNPRHCX-KNCOVGOOSA-N 2 2 332.448 1.309 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246155270 139096948 /nfs/dbraw/zinc/09/69/48/139096948.db2.gz PQFQQGPBVOJHTF-VYDXJSESSA-N 2 2 349.479 1.190 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000246243624 139100846 /nfs/dbraw/zinc/10/08/46/139100846.db2.gz RZGRXNAFWNRIBK-YJBOKZPZSA-N 2 2 347.459 1.739 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000246243624 139100847 /nfs/dbraw/zinc/10/08/47/139100847.db2.gz RZGRXNAFWNRIBK-YJBOKZPZSA-N 2 2 347.459 1.739 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000246575564 139113575 /nfs/dbraw/zinc/11/35/75/139113575.db2.gz YGGCOXOCGOKULG-UWWQBHOKSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000246575564 139113576 /nfs/dbraw/zinc/11/35/76/139113576.db2.gz YGGCOXOCGOKULG-UWWQBHOKSA-N 2 2 328.460 1.645 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246879576 139125428 /nfs/dbraw/zinc/12/54/28/139125428.db2.gz AYIJABGUTLKVPC-JKSUJKDBSA-N 2 2 338.496 1.807 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246879576 139125429 /nfs/dbraw/zinc/12/54/29/139125429.db2.gz AYIJABGUTLKVPC-JKSUJKDBSA-N 2 2 338.496 1.807 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000246922059 139126984 /nfs/dbraw/zinc/12/69/84/139126984.db2.gz GMDLBRXNYVWYSY-PKOBYXMFSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000246922059 139126985 /nfs/dbraw/zinc/12/69/85/139126985.db2.gz GMDLBRXNYVWYSY-PKOBYXMFSA-N 2 2 346.519 1.992 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246994898 139130186 /nfs/dbraw/zinc/13/01/86/139130186.db2.gz PKKXAIKCMPKGJP-UNEWFSDZSA-N 2 2 344.459 1.529 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246994898 139130187 /nfs/dbraw/zinc/13/01/87/139130187.db2.gz PKKXAIKCMPKGJP-UNEWFSDZSA-N 2 2 344.459 1.529 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246994898 139130188 /nfs/dbraw/zinc/13/01/88/139130188.db2.gz PKKXAIKCMPKGJP-UNEWFSDZSA-N 2 2 344.459 1.529 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246994898 139130189 /nfs/dbraw/zinc/13/01/89/139130189.db2.gz PKKXAIKCMPKGJP-UNEWFSDZSA-N 2 2 344.459 1.529 20 0 EDADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000568078428 306471583 /nfs/dbraw/zinc/47/15/83/306471583.db2.gz QSWUDPBVAVQBJL-FPCVCCKLSA-N 2 2 330.469 1.166 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)n1C ZINC000568269337 306477470 /nfs/dbraw/zinc/47/74/70/306477470.db2.gz ICPOSPDIIUDCKI-NSHDSACASA-N 2 2 330.396 1.774 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247174633 139138868 /nfs/dbraw/zinc/13/88/68/139138868.db2.gz YSCJQTVGBZENHS-CABCVRRESA-N 2 2 332.448 1.997 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247174633 139138869 /nfs/dbraw/zinc/13/88/69/139138869.db2.gz YSCJQTVGBZENHS-CABCVRRESA-N 2 2 332.448 1.997 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247174633 139138870 /nfs/dbraw/zinc/13/88/70/139138870.db2.gz YSCJQTVGBZENHS-CABCVRRESA-N 2 2 332.448 1.997 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247174633 139138871 /nfs/dbraw/zinc/13/88/71/139138871.db2.gz YSCJQTVGBZENHS-CABCVRRESA-N 2 2 332.448 1.997 20 0 EDADLP CC[NH2+]CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415367520 304205811 /nfs/dbraw/zinc/20/58/11/304205811.db2.gz KCSSTSZAZIAZEE-UHFFFAOYSA-N 2 2 329.404 1.115 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)[C@@H](C)C1 ZINC000568913261 306492198 /nfs/dbraw/zinc/49/21/98/306492198.db2.gz ULOQMCGFNLRRHJ-STQMWFEESA-N 2 2 344.463 1.589 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000249107401 139185848 /nfs/dbraw/zinc/18/58/48/139185848.db2.gz VOLKHWJHEAXOCB-ULQDDVLXSA-N 2 2 333.476 1.719 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C[C@H](C)O1 ZINC000249882137 139199784 /nfs/dbraw/zinc/19/97/84/139199784.db2.gz NUXGBIDLTQUHRI-XHSDSOJGSA-N 2 2 332.448 1.451 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C[C@H](C)O1 ZINC000249882137 139199785 /nfs/dbraw/zinc/19/97/85/139199785.db2.gz NUXGBIDLTQUHRI-XHSDSOJGSA-N 2 2 332.448 1.451 20 0 EDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000261843718 139230786 /nfs/dbraw/zinc/23/07/86/139230786.db2.gz QVMAYXNELNJBBD-VQIMIIECSA-N 2 2 330.476 1.300 20 0 EDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000261843718 139230787 /nfs/dbraw/zinc/23/07/87/139230787.db2.gz QVMAYXNELNJBBD-VQIMIIECSA-N 2 2 330.476 1.300 20 0 EDADLP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000261964602 139240360 /nfs/dbraw/zinc/24/03/60/139240360.db2.gz YDKYLAZMHJDTGC-KSZLIROESA-N 2 2 328.460 1.647 20 0 EDADLP Brc1cnn(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000569211588 306499587 /nfs/dbraw/zinc/49/95/87/306499587.db2.gz XMDZJZKJJWDLQJ-OLZOCXBDSA-N 2 2 329.242 1.002 20 0 EDADLP CC[NH2+]CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000414851728 250865776 /nfs/dbraw/zinc/86/57/76/250865776.db2.gz UTZZAQRTAJTJAJ-UHFFFAOYSA-N 2 2 342.281 1.985 20 0 EDADLP COc1cc(Br)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(OC)c1 ZINC000262129467 139253415 /nfs/dbraw/zinc/25/34/15/139253415.db2.gz NSEGFCSHKDTYQL-RNCFNFMXSA-N 2 2 345.237 1.136 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2noc(C[NH3+])n2)CC1 ZINC000262155924 139255821 /nfs/dbraw/zinc/25/58/21/139255821.db2.gz GLJMBOJNTGAYSZ-UHFFFAOYSA-N 3 2 329.448 1.872 20 0 EDADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2noc(C[NH3+])n2)CC1 ZINC000262155924 139255822 /nfs/dbraw/zinc/25/58/22/139255822.db2.gz GLJMBOJNTGAYSZ-UHFFFAOYSA-N 3 2 329.448 1.872 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174769909 207056473 /nfs/dbraw/zinc/05/64/73/207056473.db2.gz IJIAHYKDNVPQKG-HUUCEWRRSA-N 2 2 327.469 1.108 20 0 EDADLP CCOC(=O)CCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174769909 207056477 /nfs/dbraw/zinc/05/64/77/207056477.db2.gz IJIAHYKDNVPQKG-HUUCEWRRSA-N 2 2 327.469 1.108 20 0 EDADLP CCOC(=O)CCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000174769909 207056481 /nfs/dbraw/zinc/05/64/81/207056481.db2.gz IJIAHYKDNVPQKG-HUUCEWRRSA-N 2 2 327.469 1.108 20 0 EDADLP CCOC(=O)CCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174769909 207056486 /nfs/dbraw/zinc/05/64/86/207056486.db2.gz IJIAHYKDNVPQKG-HUUCEWRRSA-N 2 2 327.469 1.108 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc(-c2ccsc2)no1 ZINC000174725994 207051049 /nfs/dbraw/zinc/05/10/49/207051049.db2.gz IXKWWVFNVIZBGX-UHFFFAOYSA-N 2 2 335.477 1.867 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3[NH2+]CCO[C@@H]3C)CC2)c1 ZINC000262235300 139262430 /nfs/dbraw/zinc/26/24/30/139262430.db2.gz KMJTXGUOTIHABX-RKVPGOIHSA-N 2 2 347.459 1.277 20 0 EDADLP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422833270 296320296 /nfs/dbraw/zinc/32/02/96/296320296.db2.gz MAIQAUSYYKGUME-ICSRJNTNSA-N 2 2 343.471 1.666 20 0 EDADLP CCC[NH2+]CCNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000416993368 251120945 /nfs/dbraw/zinc/12/09/45/251120945.db2.gz SHGTZXCCHZPNGF-AWEZNQCLSA-N 2 2 335.452 1.106 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1ccsc1 ZINC000417019287 251135340 /nfs/dbraw/zinc/13/53/40/251135340.db2.gz QYKHLTIOKKXGIY-OLZOCXBDSA-N 2 2 346.447 1.895 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c[nH+]1 ZINC000417002693 251126832 /nfs/dbraw/zinc/12/68/32/251126832.db2.gz GGVUHEGBNANTGB-LBPRGKRZSA-N 2 2 327.379 1.192 20 0 EDADLP [NH3+]CCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417586191 251198022 /nfs/dbraw/zinc/19/80/22/251198022.db2.gz QLMVQWYHWNNXQD-GFCCVEGCSA-N 2 2 326.391 1.577 20 0 EDADLP [NH3+]CCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417586191 251198028 /nfs/dbraw/zinc/19/80/28/251198028.db2.gz QLMVQWYHWNNXQD-GFCCVEGCSA-N 2 2 326.391 1.577 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC000262412383 139277365 /nfs/dbraw/zinc/27/73/65/139277365.db2.gz PLBIIRDKGSLTIP-IRXDYDNUSA-N 2 2 331.460 1.598 20 0 EDADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000262398299 139276213 /nfs/dbraw/zinc/27/62/13/139276213.db2.gz PEBFEBHMDGRGBQ-UHFFFAOYSA-N 2 2 329.366 1.959 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C(C)(C)C ZINC000417684630 251227575 /nfs/dbraw/zinc/22/75/75/251227575.db2.gz XBWDCYIWRAREGE-QWHCGFSZSA-N 2 2 334.455 1.897 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000417829620 251288751 /nfs/dbraw/zinc/28/87/51/251288751.db2.gz AHIOZTAYUZXDJD-MRXNPFEDSA-N 2 2 327.432 1.629 20 0 EDADLP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NC(C)(C)C[NH3+])c2cccs2)CCO1 ZINC000417814864 251279977 /nfs/dbraw/zinc/27/99/77/251279977.db2.gz HXEPJNKEWLCZHV-OLZOCXBDSA-N 2 2 340.493 1.546 20 0 EDADLP C[C@@H]1C[N@H+]([C@@H](CNC(=O)NC(C)(C)C[NH3+])c2cccs2)CCO1 ZINC000417814864 251279981 /nfs/dbraw/zinc/27/99/81/251279981.db2.gz HXEPJNKEWLCZHV-OLZOCXBDSA-N 2 2 340.493 1.546 20 0 EDADLP [NH3+]CCC[C@@H](NC(=O)NCC1([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000418114018 251329637 /nfs/dbraw/zinc/32/96/37/251329637.db2.gz KUYSTNIVGAVLKV-QGZVFWFLSA-N 2 2 346.475 1.631 20 0 EDADLP [NH3+][C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1c(F)cccc1F ZINC000417856939 251300886 /nfs/dbraw/zinc/30/08/86/251300886.db2.gz TVSGIOKUBZXOTF-CPFSXVBKSA-N 2 2 338.383 1.876 20 0 EDADLP CCn1nncc1C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000417861619 251302557 /nfs/dbraw/zinc/30/25/57/251302557.db2.gz ALADOKZPGSCCSL-UHFFFAOYSA-N 2 2 342.491 1.725 20 0 EDADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418425765 251367190 /nfs/dbraw/zinc/36/71/90/251367190.db2.gz KNDFDZCZGOCKJK-GJZGRUSLSA-N 2 2 349.479 1.684 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000418445245 251371948 /nfs/dbraw/zinc/37/19/48/251371948.db2.gz XYDRLMSQLCYDOR-HNNXBMFYSA-N 2 2 333.480 1.987 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)[C@H](C)[NH3+])on1 ZINC000418708151 251389413 /nfs/dbraw/zinc/38/94/13/251389413.db2.gz UEJUXWLWLYEPPF-XUXIUFHCSA-N 2 2 341.431 1.273 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)[C@H](C)[NH3+])on1 ZINC000418708151 251389417 /nfs/dbraw/zinc/38/94/17/251389417.db2.gz UEJUXWLWLYEPPF-XUXIUFHCSA-N 2 2 341.431 1.273 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000418706467 251389544 /nfs/dbraw/zinc/38/95/44/251389544.db2.gz HMKGWLCTSPXDPB-ZDUSSCGKSA-N 2 2 325.482 1.406 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000418706467 251389548 /nfs/dbraw/zinc/38/95/48/251389548.db2.gz HMKGWLCTSPXDPB-ZDUSSCGKSA-N 2 2 325.482 1.406 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000418714796 251392933 /nfs/dbraw/zinc/39/29/33/251392933.db2.gz AWSSAWNUFNORLX-LSDHHAIUSA-N 2 2 344.450 1.891 20 0 EDADLP C[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262564149 139286895 /nfs/dbraw/zinc/28/68/95/139286895.db2.gz BKNNSJWKVHNFNX-JKSUJKDBSA-N 2 2 348.466 1.452 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000262631207 139291364 /nfs/dbraw/zinc/29/13/64/139291364.db2.gz HBNAKXKZEIOPHV-SJLPKXTDSA-N 2 2 349.500 1.319 20 0 EDADLP C[NH+](C)CCN1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177590760 207361325 /nfs/dbraw/zinc/36/13/25/207361325.db2.gz GPICYYMKMPXJJR-UHFFFAOYSA-N 2 2 344.463 1.160 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422876387 252008111 /nfs/dbraw/zinc/00/81/11/252008111.db2.gz GLEJUHQTDJYIIZ-DZGCQCFKSA-N 2 2 335.448 1.440 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422876937 252008143 /nfs/dbraw/zinc/00/81/43/252008143.db2.gz GUMHRBWJZGUKEO-MHORFTMASA-N 3 2 336.524 1.439 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422876937 252008146 /nfs/dbraw/zinc/00/81/46/252008146.db2.gz GUMHRBWJZGUKEO-MHORFTMASA-N 3 2 336.524 1.439 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422879423 252010586 /nfs/dbraw/zinc/01/05/86/252010586.db2.gz KKKMOKZYCUYYMT-MAUKXSAKSA-N 3 2 330.476 1.304 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423068188 252033721 /nfs/dbraw/zinc/03/37/21/252033721.db2.gz BCZQVZWOJYOLML-CJNGLKHVSA-N 2 2 326.462 1.073 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000423180965 252044492 /nfs/dbraw/zinc/04/44/92/252044492.db2.gz LAFMKPUABNFQDR-HNAYVOBHSA-N 3 2 344.503 1.614 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCSC1 ZINC000423350309 252049381 /nfs/dbraw/zinc/04/93/81/252049381.db2.gz XHHOMSBVGQXKSV-DZGCQCFKSA-N 2 2 329.416 1.518 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000423803444 252082522 /nfs/dbraw/zinc/08/25/22/252082522.db2.gz AJTOFWRXLRCZBL-INIZCTEOSA-N 2 2 343.431 1.489 20 0 EDADLP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263174492 139326667 /nfs/dbraw/zinc/32/66/67/139326667.db2.gz GAXZGHOAGVZQPY-ZDUSSCGKSA-N 2 2 347.475 1.852 20 0 EDADLP Cc1cc(N2CCC(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)nc(C)[nH+]1 ZINC000263201451 139328043 /nfs/dbraw/zinc/32/80/43/139328043.db2.gz JDVKQZBFZDUUJK-CYBMUJFWSA-N 2 2 339.390 1.176 20 0 EDADLP COCC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000124521695 285164095 /nfs/dbraw/zinc/16/40/95/285164095.db2.gz BNRFARWCPNJGKM-JKSUJKDBSA-N 2 2 349.479 1.297 20 0 EDADLP CCCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000645241113 452230919 /nfs/dbraw/zinc/23/09/19/452230919.db2.gz WYPYOKRXGBUBFT-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCCN(C(=O)NCC[NH+]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645241113 452230910 /nfs/dbraw/zinc/23/09/10/452230910.db2.gz WYPYOKRXGBUBFT-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH+](C)C1 ZINC000645241113 452230928 /nfs/dbraw/zinc/23/09/28/452230928.db2.gz WYPYOKRXGBUBFT-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP COc1cc(CNC(=O)CCn2cc[nH+]c2)ccc1OCC[NH+](C)C ZINC000263656043 139350317 /nfs/dbraw/zinc/35/03/17/139350317.db2.gz BXLDONBWESBXRH-UHFFFAOYSA-N 2 2 346.431 1.539 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c[nH+]1 ZINC000263716459 139355250 /nfs/dbraw/zinc/35/52/50/139355250.db2.gz PIGZIMOBHINSSC-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)c[nH+]1 ZINC000263716459 139355251 /nfs/dbraw/zinc/35/52/51/139355251.db2.gz PIGZIMOBHINSSC-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2OCCc3ccccc32)CC1 ZINC000263753696 139357901 /nfs/dbraw/zinc/35/79/01/139357901.db2.gz SYWSORWOAGGWNY-APWZRJJASA-N 2 2 345.487 1.785 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2OCCc3ccccc32)CC1 ZINC000263753696 139357902 /nfs/dbraw/zinc/35/79/02/139357902.db2.gz SYWSORWOAGGWNY-APWZRJJASA-N 2 2 345.487 1.785 20 0 EDADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000263790764 139360521 /nfs/dbraw/zinc/36/05/21/139360521.db2.gz XZFOREDKECMQJT-UHFFFAOYSA-N 3 2 345.491 1.609 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@@H+]1C ZINC000487051166 255023688 /nfs/dbraw/zinc/02/36/88/255023688.db2.gz WOQSOROSEYPPHG-HZPDHXFCSA-N 2 2 333.480 1.462 20 0 EDADLP CC(C)[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@H+]1C ZINC000487051166 255023689 /nfs/dbraw/zinc/02/36/89/255023689.db2.gz WOQSOROSEYPPHG-HZPDHXFCSA-N 2 2 333.480 1.462 20 0 EDADLP CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000487180560 255027734 /nfs/dbraw/zinc/02/77/34/255027734.db2.gz IHDBGWRIIJUZAQ-OAHLLOKOSA-N 2 2 333.480 1.293 20 0 EDADLP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000487180560 255027736 /nfs/dbraw/zinc/02/77/36/255027736.db2.gz IHDBGWRIIJUZAQ-OAHLLOKOSA-N 2 2 333.480 1.293 20 0 EDADLP Cc1nc(NCCn2cc[nH+]c2)c(NCCn2cc[nH+]c2)nc1C ZINC000489070530 255063339 /nfs/dbraw/zinc/06/33/39/255063339.db2.gz JKIKEOPHFAQROT-UHFFFAOYSA-N 2 2 326.408 1.711 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000415784366 304269790 /nfs/dbraw/zinc/26/97/90/304269790.db2.gz FGSHXNITXLNYJQ-SECBINFHSA-N 2 2 342.241 1.736 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc2nc(CC[NH+]3CCOCC3)[nH]c2c1 ZINC000493969616 255228844 /nfs/dbraw/zinc/22/88/44/255228844.db2.gz OSVDMHMNKWWDSQ-STQMWFEESA-N 2 2 345.447 1.359 20 0 EDADLP CC[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000495203739 255272851 /nfs/dbraw/zinc/27/28/51/255272851.db2.gz QRBMAJGAMWSKFB-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP CC[C@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000495203739 255272852 /nfs/dbraw/zinc/27/28/52/255272852.db2.gz QRBMAJGAMWSKFB-IBGZPJMESA-N 2 2 331.460 1.178 20 0 EDADLP C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000494246445 255243187 /nfs/dbraw/zinc/24/31/87/255243187.db2.gz BCMISTYSYPGMDO-APWZRJJASA-N 2 2 331.460 1.488 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC000495136939 255269912 /nfs/dbraw/zinc/26/99/12/255269912.db2.gz KJQQEOZZFRDKJU-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@]1([NH+](C)C)CCc2ccccc21)[NH+]1CCOCC1 ZINC000369170524 299606911 /nfs/dbraw/zinc/60/69/11/299606911.db2.gz BVWAVYQVTIKRRB-RZQQEMMASA-N 2 2 345.487 1.615 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000434464906 285386732 /nfs/dbraw/zinc/38/67/32/285386732.db2.gz IKGHUIGBMBUIII-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000434464906 285386736 /nfs/dbraw/zinc/38/67/36/285386736.db2.gz IKGHUIGBMBUIII-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270259379 140069304 /nfs/dbraw/zinc/06/93/04/140069304.db2.gz RMYJFVQCJHRYDJ-AWEZNQCLSA-N 2 2 346.431 1.219 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000270371692 140087874 /nfs/dbraw/zinc/08/78/74/140087874.db2.gz UJCFMDGAESIZMY-LBPRGKRZSA-N 2 2 338.419 1.359 20 0 EDADLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000270371692 140087875 /nfs/dbraw/zinc/08/78/75/140087875.db2.gz UJCFMDGAESIZMY-LBPRGKRZSA-N 2 2 338.419 1.359 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccnc(-n2cc[nH+]c2)c1 ZINC000270722018 140155813 /nfs/dbraw/zinc/15/58/13/140155813.db2.gz WWRJSFAYLZCRMK-MRXNPFEDSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccnc(-n2cc[nH+]c2)c1 ZINC000270722018 140155814 /nfs/dbraw/zinc/15/58/14/140155814.db2.gz WWRJSFAYLZCRMK-MRXNPFEDSA-N 2 2 343.431 1.234 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000271433825 140295515 /nfs/dbraw/zinc/29/55/15/140295515.db2.gz CIJAINQDNDYIJS-OCCSQVGLSA-N 2 2 338.477 1.035 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@](C)(O)c2ccccc2)CC1 ZINC000272726724 140502554 /nfs/dbraw/zinc/50/25/54/140502554.db2.gz IXDUAWAEWCBZNS-LJQANCHMSA-N 2 2 333.476 1.426 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CCC([NH3+])CC3)c[nH+]2)CC1 ZINC000332024993 141112529 /nfs/dbraw/zinc/11/25/29/141112529.db2.gz GSTWSCDIDRPOAF-UHFFFAOYSA-N 2 2 331.464 1.951 20 0 EDADLP C[NH+](C)CC1CC[NH+](CC2=Nc3ccccc3S(=O)(=O)N2)CC1 ZINC000332534632 141198062 /nfs/dbraw/zinc/19/80/62/141198062.db2.gz UNTNRCQTGAUCGH-UHFFFAOYSA-N 2 2 336.461 1.282 20 0 EDADLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000333577395 141339691 /nfs/dbraw/zinc/33/96/91/141339691.db2.gz NEDDBTGADQAVFY-HOTGVXAUSA-N 2 2 331.464 1.792 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)s1 ZINC000333663768 141352494 /nfs/dbraw/zinc/35/24/94/141352494.db2.gz MAAMOWLGMMDNEK-SWLSCSKDSA-N 2 2 337.493 1.277 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[NH+]3CCC(C)CC3)nc[nH+]2)C1 ZINC000333690769 141358749 /nfs/dbraw/zinc/35/87/49/141358749.db2.gz AXYANCBIPOQRRE-HZPDHXFCSA-N 2 2 333.480 1.828 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[N@@H+](C2CC2)C1 ZINC000333753566 141373630 /nfs/dbraw/zinc/37/36/30/141373630.db2.gz YDSHSKXWMSLXAO-HOCLYGCPSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[N@H+](C2CC2)C1 ZINC000333753566 141373631 /nfs/dbraw/zinc/37/36/31/141373631.db2.gz YDSHSKXWMSLXAO-HOCLYGCPSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@@H+](C2CC2)C1 ZINC000333768732 141377144 /nfs/dbraw/zinc/37/71/44/141377144.db2.gz QZKAVNYFSIEHLM-OAHLLOKOSA-N 2 2 345.491 1.888 20 0 EDADLP C[C@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@H+](C2CC2)C1 ZINC000333768732 141377145 /nfs/dbraw/zinc/37/71/45/141377145.db2.gz QZKAVNYFSIEHLM-OAHLLOKOSA-N 2 2 345.491 1.888 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000333872756 141398984 /nfs/dbraw/zinc/39/89/84/141398984.db2.gz UVHBDBGJXAPVGQ-ZFWWWQNUSA-N 2 2 337.493 1.358 20 0 EDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000333872756 141398986 /nfs/dbraw/zinc/39/89/86/141398986.db2.gz UVHBDBGJXAPVGQ-ZFWWWQNUSA-N 2 2 337.493 1.358 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000340166409 142289617 /nfs/dbraw/zinc/28/96/17/142289617.db2.gz OZJPMGFBBHYPQI-INIZCTEOSA-N 2 2 334.445 1.588 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000343150793 142807091 /nfs/dbraw/zinc/80/70/91/142807091.db2.gz GBDRQEZRUBAFON-VQIMIIECSA-N 2 2 334.483 1.878 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000343150793 142807092 /nfs/dbraw/zinc/80/70/92/142807092.db2.gz GBDRQEZRUBAFON-VQIMIIECSA-N 2 2 334.483 1.878 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000344922156 143027109 /nfs/dbraw/zinc/02/71/09/143027109.db2.gz RGFWTZXOQLEEQC-AWEZNQCLSA-N 2 2 347.507 1.948 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000344922156 143027110 /nfs/dbraw/zinc/02/71/10/143027110.db2.gz RGFWTZXOQLEEQC-AWEZNQCLSA-N 2 2 347.507 1.948 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)c[nH+]1 ZINC000345099753 143050290 /nfs/dbraw/zinc/05/02/90/143050290.db2.gz DZRYLIWPIBTVEG-CRAIPNDOSA-N 2 2 327.432 1.618 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000346533949 143214434 /nfs/dbraw/zinc/21/44/34/143214434.db2.gz USSHBWDNTGMGQZ-TXCZRRACSA-N 2 2 331.464 1.958 20 0 EDADLP C[C@@H]([NH2+]CCNC(=O)c1cnccn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000346794888 143246400 /nfs/dbraw/zinc/24/64/00/143246400.db2.gz MHVHATTZPCFAIZ-CQSZACIVSA-N 2 2 336.399 1.743 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000346847075 143251171 /nfs/dbraw/zinc/25/11/71/143251171.db2.gz DSVPXXAUIURNKP-IAGOWNOFSA-N 2 2 338.496 1.223 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000346847075 143251172 /nfs/dbraw/zinc/25/11/72/143251172.db2.gz DSVPXXAUIURNKP-IAGOWNOFSA-N 2 2 338.496 1.223 20 0 EDADLP O=C1C[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@H](c2cccnc2)N1C1CC1 ZINC000346879061 143255252 /nfs/dbraw/zinc/25/52/52/143255252.db2.gz OAYBNHAGLFXVMV-AEFFLSMTSA-N 2 2 325.416 1.762 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346880834 143255416 /nfs/dbraw/zinc/25/54/16/143255416.db2.gz JLFVQTKYYFBRPP-JZXOWHBKSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346880834 143255417 /nfs/dbraw/zinc/25/54/17/143255417.db2.gz JLFVQTKYYFBRPP-JZXOWHBKSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346880834 143255418 /nfs/dbraw/zinc/25/54/18/143255418.db2.gz JLFVQTKYYFBRPP-JZXOWHBKSA-N 2 2 349.523 1.896 20 0 EDADLP CC(C)CNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346880834 143255419 /nfs/dbraw/zinc/25/54/19/143255419.db2.gz JLFVQTKYYFBRPP-JZXOWHBKSA-N 2 2 349.523 1.896 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[N@H+](C)CCN2CCCC2=O)CCC[NH+]1C ZINC000346900210 143258173 /nfs/dbraw/zinc/25/81/73/143258173.db2.gz VLTYEGYHWCEIFG-QAPCUYQASA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[N@@H+](C)CCN2CCCC2=O)CCC[NH+]1C ZINC000346900210 143258174 /nfs/dbraw/zinc/25/81/74/143258174.db2.gz VLTYEGYHWCEIFG-QAPCUYQASA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH+](C)CCN2CCCC2=O)CCC[N@@H+]1C ZINC000346900210 143258175 /nfs/dbraw/zinc/25/81/75/143258175.db2.gz VLTYEGYHWCEIFG-QAPCUYQASA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH+](C)CCN2CCCC2=O)CCC[N@H+]1C ZINC000346900210 143258176 /nfs/dbraw/zinc/25/81/76/143258176.db2.gz VLTYEGYHWCEIFG-QAPCUYQASA-N 2 2 333.480 1.357 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347201627 143294285 /nfs/dbraw/zinc/29/42/85/143294285.db2.gz LLNUGAAJXDPLSU-KRWDZBQOSA-N 2 2 343.471 1.733 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347201627 143294286 /nfs/dbraw/zinc/29/42/86/143294286.db2.gz LLNUGAAJXDPLSU-KRWDZBQOSA-N 2 2 343.471 1.733 20 0 EDADLP C[C@]1(F)CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000347362940 143312850 /nfs/dbraw/zinc/31/28/50/143312850.db2.gz WLPUHXWQYVEKHW-KRWDZBQOSA-N 2 2 341.471 1.572 20 0 EDADLP C[C@]1(F)CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000347362940 143312851 /nfs/dbraw/zinc/31/28/51/143312851.db2.gz WLPUHXWQYVEKHW-KRWDZBQOSA-N 2 2 341.471 1.572 20 0 EDADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000347449950 143322787 /nfs/dbraw/zinc/32/27/87/143322787.db2.gz NMIZEWZWXVDZSZ-IEBWSBKVSA-N 2 2 333.476 1.859 20 0 EDADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000347449950 143322788 /nfs/dbraw/zinc/32/27/88/143322788.db2.gz NMIZEWZWXVDZSZ-IEBWSBKVSA-N 2 2 333.476 1.859 20 0 EDADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000347449950 143322789 /nfs/dbraw/zinc/32/27/89/143322789.db2.gz NMIZEWZWXVDZSZ-IEBWSBKVSA-N 2 2 333.476 1.859 20 0 EDADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000347449950 143322790 /nfs/dbraw/zinc/32/27/90/143322790.db2.gz NMIZEWZWXVDZSZ-IEBWSBKVSA-N 2 2 333.476 1.859 20 0 EDADLP CC[N@H+](C)Cc1cccc(CNC(=O)C[NH+](C)CC(=O)NC(C)C)c1 ZINC000347588054 143338031 /nfs/dbraw/zinc/33/80/31/143338031.db2.gz BRYQANKUUSBXAE-UHFFFAOYSA-N 2 2 348.491 1.211 20 0 EDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)C[NH+](C)CC(=O)NC(C)C)c1 ZINC000347588054 143338032 /nfs/dbraw/zinc/33/80/32/143338032.db2.gz BRYQANKUUSBXAE-UHFFFAOYSA-N 2 2 348.491 1.211 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)C[N@H+](C)CC(=O)NC(C)C)c1 ZINC000347588054 143338033 /nfs/dbraw/zinc/33/80/33/143338033.db2.gz BRYQANKUUSBXAE-UHFFFAOYSA-N 2 2 348.491 1.211 20 0 EDADLP CC[NH+](C)Cc1cccc(CNC(=O)C[N@@H+](C)CC(=O)NC(C)C)c1 ZINC000347588054 143338034 /nfs/dbraw/zinc/33/80/34/143338034.db2.gz BRYQANKUUSBXAE-UHFFFAOYSA-N 2 2 348.491 1.211 20 0 EDADLP CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347887417 143375264 /nfs/dbraw/zinc/37/52/64/143375264.db2.gz HQACGEZVMAEPPG-IBGZPJMESA-N 2 2 343.471 1.828 20 0 EDADLP CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347887417 143375265 /nfs/dbraw/zinc/37/52/65/143375265.db2.gz HQACGEZVMAEPPG-IBGZPJMESA-N 2 2 343.471 1.828 20 0 EDADLP CC[C@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)c1c(C)nn(C)c1C ZINC000347993031 143388592 /nfs/dbraw/zinc/38/85/92/143388592.db2.gz DTCHHDIHIJNDPB-ZBFHGGJFSA-N 2 2 335.496 1.630 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000369692835 155137756 /nfs/dbraw/zinc/13/77/56/155137756.db2.gz OUPBGBJIRYKGLJ-CQSZACIVSA-N 2 2 331.464 1.988 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000369692835 155137760 /nfs/dbraw/zinc/13/77/60/155137760.db2.gz OUPBGBJIRYKGLJ-CQSZACIVSA-N 2 2 331.464 1.988 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000369814027 155187692 /nfs/dbraw/zinc/18/76/92/155187692.db2.gz MOWSKPDKVLQDRN-HZPDHXFCSA-N 2 2 349.479 1.102 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000369814027 155187694 /nfs/dbraw/zinc/18/76/94/155187694.db2.gz MOWSKPDKVLQDRN-HZPDHXFCSA-N 2 2 349.479 1.102 20 0 EDADLP [NH3+][C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000416818278 304349960 /nfs/dbraw/zinc/34/99/60/304349960.db2.gz IJGFGYSXYALGLM-KGLIPLIRSA-N 2 2 338.477 1.158 20 0 EDADLP Fc1ccccc1-c1n[nH]cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352690391 149118196 /nfs/dbraw/zinc/11/81/96/149118196.db2.gz DQONGCFJMMVMQD-HNNXBMFYSA-N 2 2 329.423 1.695 20 0 EDADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCNC1=O ZINC000352721044 149128969 /nfs/dbraw/zinc/12/89/69/149128969.db2.gz YNTSOOWPADKFOD-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCNC1=O ZINC000352721044 149128970 /nfs/dbraw/zinc/12/89/70/149128970.db2.gz YNTSOOWPADKFOD-GOSISDBHSA-N 2 2 330.476 1.015 20 0 EDADLP C[NH+](C)CCOCCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352755227 149150558 /nfs/dbraw/zinc/15/05/58/149150558.db2.gz XPHJEOQZYWQPSD-UHFFFAOYSA-N 2 2 332.408 1.026 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352757980 149151461 /nfs/dbraw/zinc/15/14/61/149151461.db2.gz WXUKFQMWMUGRGK-UHFFFAOYSA-N 3 2 339.553 1.568 20 0 EDADLP C[NH+](C)CCN1CCC(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352757980 149151464 /nfs/dbraw/zinc/15/14/64/149151464.db2.gz WXUKFQMWMUGRGK-UHFFFAOYSA-N 3 2 339.553 1.568 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000352878125 149200062 /nfs/dbraw/zinc/20/00/62/149200062.db2.gz QXFZEPMGNWJMJK-UHFFFAOYSA-N 2 2 347.507 1.456 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000352955860 149229501 /nfs/dbraw/zinc/22/95/01/149229501.db2.gz ARCFSIIJWOKJQK-MRXNPFEDSA-N 2 2 344.459 1.962 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000352955860 149229504 /nfs/dbraw/zinc/22/95/04/149229504.db2.gz ARCFSIIJWOKJQK-MRXNPFEDSA-N 2 2 344.459 1.962 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416902856 304355037 /nfs/dbraw/zinc/35/50/37/304355037.db2.gz BXUVWVHIZSTSIM-DOMZBBRYSA-N 2 2 331.395 1.652 20 0 EDADLP CN(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CC([NH3+])C1 ZINC000416964063 304356428 /nfs/dbraw/zinc/35/64/28/304356428.db2.gz VLEMRSBWUNQBFQ-UHFFFAOYSA-N 2 2 327.432 1.605 20 0 EDADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCOCC2(C)C)Cc2ccccc2C1 ZINC000369929906 155238844 /nfs/dbraw/zinc/23/88/44/155238844.db2.gz VQNXGTKZEJIZLI-UHFFFAOYSA-N 2 2 345.487 1.313 20 0 EDADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CCOCC2(C)C)Cc2ccccc2C1 ZINC000369929906 155238845 /nfs/dbraw/zinc/23/88/45/155238845.db2.gz VQNXGTKZEJIZLI-UHFFFAOYSA-N 2 2 345.487 1.313 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000369934196 155242314 /nfs/dbraw/zinc/24/23/14/155242314.db2.gz HBICLGCWJWGYCN-HOTGVXAUSA-N 2 2 334.464 1.891 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000369934196 155242315 /nfs/dbraw/zinc/24/23/15/155242315.db2.gz HBICLGCWJWGYCN-HOTGVXAUSA-N 2 2 334.464 1.891 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C[NH3+])C3CC3)c[nH+]2)C[C@@H](C)O1 ZINC000416977810 304359579 /nfs/dbraw/zinc/35/95/79/304359579.db2.gz BTLFSAQWTYENDF-XJKCOSOUSA-N 2 2 347.463 1.232 20 0 EDADLP CCn1nc(C)c(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000354952636 150052181 /nfs/dbraw/zinc/05/21/81/150052181.db2.gz QRTZNSUAGSDNKG-CQSZACIVSA-N 2 2 347.507 1.760 20 0 EDADLP CCn1nc(C)c(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000354952636 150052182 /nfs/dbraw/zinc/05/21/82/150052182.db2.gz QRTZNSUAGSDNKG-CQSZACIVSA-N 2 2 347.507 1.760 20 0 EDADLP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000355513416 150299623 /nfs/dbraw/zinc/29/96/23/150299623.db2.gz LZHYZXMCSVJEOL-MOPGFXCFSA-N 2 2 343.471 1.442 20 0 EDADLP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000355513416 150299625 /nfs/dbraw/zinc/29/96/25/150299625.db2.gz LZHYZXMCSVJEOL-MOPGFXCFSA-N 2 2 343.471 1.442 20 0 EDADLP CCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000355612894 150335676 /nfs/dbraw/zinc/33/56/76/150335676.db2.gz VRXMFOXNTRZLMB-LJQANCHMSA-N 2 2 344.503 1.529 20 0 EDADLP COc1cccc([C@H](CNC(=O)c2cc(C[NH+](C)C)on2)[NH+](C)C)c1 ZINC000355706134 150367291 /nfs/dbraw/zinc/36/72/91/150367291.db2.gz SQSRCKCSHHVMBL-KRWDZBQOSA-N 2 2 346.431 1.778 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355707897 150368108 /nfs/dbraw/zinc/36/81/08/150368108.db2.gz GSGFTRMGYLHAEX-CYBMUJFWSA-N 2 2 339.871 1.163 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355707897 150368109 /nfs/dbraw/zinc/36/81/09/150368109.db2.gz GSGFTRMGYLHAEX-CYBMUJFWSA-N 2 2 339.871 1.163 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370015931 155283378 /nfs/dbraw/zinc/28/33/78/155283378.db2.gz BSUFAYOJTPQRBG-CQSZACIVSA-N 2 2 340.493 1.338 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370015931 155283380 /nfs/dbraw/zinc/28/33/80/155283380.db2.gz BSUFAYOJTPQRBG-CQSZACIVSA-N 2 2 340.493 1.338 20 0 EDADLP [NH3+]C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC000417046681 304366310 /nfs/dbraw/zinc/36/63/10/304366310.db2.gz XBWHONCEBQISBA-DLBZAZTESA-N 2 2 332.448 1.096 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644371 151097604 /nfs/dbraw/zinc/09/76/04/151097604.db2.gz IDAKELQFPOPMEY-OAHLLOKOSA-N 2 2 331.460 1.353 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644371 151097605 /nfs/dbraw/zinc/09/76/05/151097605.db2.gz IDAKELQFPOPMEY-OAHLLOKOSA-N 2 2 331.460 1.353 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000370046724 155299715 /nfs/dbraw/zinc/29/97/15/155299715.db2.gz TXXOTMTVADNLIG-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000370046724 155299717 /nfs/dbraw/zinc/29/97/17/155299717.db2.gz TXXOTMTVADNLIG-AZUAARDMSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000370046803 155299851 /nfs/dbraw/zinc/29/98/51/155299851.db2.gz TXXOTMTVADNLIG-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000370046803 155299852 /nfs/dbraw/zinc/29/98/52/155299852.db2.gz TXXOTMTVADNLIG-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000357921048 151196907 /nfs/dbraw/zinc/19/69/07/151196907.db2.gz WBZTVCDRZURKAC-INIZCTEOSA-N 2 2 348.495 1.424 20 0 EDADLP CCCC[N@@H+](C)CCNC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1 ZINC000357921048 151196909 /nfs/dbraw/zinc/19/69/09/151196909.db2.gz WBZTVCDRZURKAC-INIZCTEOSA-N 2 2 348.495 1.424 20 0 EDADLP CCCC[NH+](C)CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000357921048 151196914 /nfs/dbraw/zinc/19/69/14/151196914.db2.gz WBZTVCDRZURKAC-INIZCTEOSA-N 2 2 348.495 1.424 20 0 EDADLP COC(=O)c1ccc(F)c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000358052465 151248314 /nfs/dbraw/zinc/24/83/14/151248314.db2.gz SOVQIIVUMYBBBL-UHFFFAOYSA-N 2 2 332.379 1.668 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000360147568 151926803 /nfs/dbraw/zinc/92/68/03/151926803.db2.gz BQJJYFPLGZYAEO-UHFFFAOYSA-N 2 2 330.476 1.846 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCS3)C2)CC1 ZINC000360912328 152249008 /nfs/dbraw/zinc/24/90/08/152249008.db2.gz KHQSKTOXBFUUQS-HIFRSBDPSA-N 2 2 326.510 1.350 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCCS3)C2)CC1 ZINC000360912328 152249009 /nfs/dbraw/zinc/24/90/09/152249009.db2.gz KHQSKTOXBFUUQS-HIFRSBDPSA-N 2 2 326.510 1.350 20 0 EDADLP CCCCOCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000360942431 152259938 /nfs/dbraw/zinc/25/99/38/152259938.db2.gz VCZDFYUCAGLNCT-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CCCCOCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000360942431 152259940 /nfs/dbraw/zinc/25/99/40/152259940.db2.gz VCZDFYUCAGLNCT-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000361118875 152311093 /nfs/dbraw/zinc/31/10/93/152311093.db2.gz YGODWZYQIZOYPT-UHFFFAOYSA-N 3 2 337.508 1.868 20 0 EDADLP C[N@H+](C[C@@H](O)COC1CCOCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000361326246 152362524 /nfs/dbraw/zinc/36/25/24/152362524.db2.gz UUDYFIXPXUSTTR-QGZVFWFLSA-N 2 2 349.475 1.539 20 0 EDADLP C[N@@H+](C[C@@H](O)COC1CCOCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000361326246 152362526 /nfs/dbraw/zinc/36/25/26/152362526.db2.gz UUDYFIXPXUSTTR-QGZVFWFLSA-N 2 2 349.475 1.539 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)oc1C ZINC000370151969 155350790 /nfs/dbraw/zinc/35/07/90/155350790.db2.gz XTKWGAORWJQMAY-KDOFPFPSSA-N 2 2 349.475 1.832 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)oc1C ZINC000370151969 155350792 /nfs/dbraw/zinc/35/07/92/155350792.db2.gz XTKWGAORWJQMAY-KDOFPFPSSA-N 2 2 349.475 1.832 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)C[C@H](C)OC)[C@H]1CC12CC[NH2+]CC2 ZINC000370162837 155358541 /nfs/dbraw/zinc/35/85/41/155358541.db2.gz PQKJTDHGETYMHA-GJZGRUSLSA-N 2 2 334.464 1.799 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[NH+]2CCC[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000363592303 153008067 /nfs/dbraw/zinc/00/80/67/153008067.db2.gz LXSXCMSDFDCKKY-MHORFTMASA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[NH+]2CCC[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000363592303 153008069 /nfs/dbraw/zinc/00/80/69/153008069.db2.gz LXSXCMSDFDCKKY-MHORFTMASA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000363592303 153008073 /nfs/dbraw/zinc/00/80/73/153008073.db2.gz LXSXCMSDFDCKKY-MHORFTMASA-N 2 2 337.508 1.817 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000363592303 153008075 /nfs/dbraw/zinc/00/80/75/153008075.db2.gz LXSXCMSDFDCKKY-MHORFTMASA-N 2 2 337.508 1.817 20 0 EDADLP CN(C(=O)c1ncncc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370205701 155377210 /nfs/dbraw/zinc/37/72/10/155377210.db2.gz DJMDQCGIQUYLBT-CYBMUJFWSA-N 2 2 337.855 1.371 20 0 EDADLP CN(C(=O)c1ncncc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370205701 155377217 /nfs/dbraw/zinc/37/72/17/155377217.db2.gz DJMDQCGIQUYLBT-CYBMUJFWSA-N 2 2 337.855 1.371 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364540062 153263895 /nfs/dbraw/zinc/26/38/95/153263895.db2.gz BOACCZXGPGNGFU-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364540062 153263899 /nfs/dbraw/zinc/26/38/99/153263899.db2.gz BOACCZXGPGNGFU-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c[nH+]2)CC1 ZINC000364562771 153272328 /nfs/dbraw/zinc/27/23/28/153272328.db2.gz RLHVAJGDFWJRDA-QFBILLFUSA-N 2 2 328.460 1.934 20 0 EDADLP O=C1[C@@H]2C[N@H+](CCC[NH+]3CCCC3)CCN2C(=O)N1c1ccccc1 ZINC000364651165 153294801 /nfs/dbraw/zinc/29/48/01/153294801.db2.gz WJKZOMUQRMEUFW-KRWDZBQOSA-N 2 2 342.443 1.625 20 0 EDADLP O=C1[C@@H]2C[N@@H+](CCC[NH+]3CCCC3)CCN2C(=O)N1c1ccccc1 ZINC000364651165 153294802 /nfs/dbraw/zinc/29/48/02/153294802.db2.gz WJKZOMUQRMEUFW-KRWDZBQOSA-N 2 2 342.443 1.625 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@H+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364891689 153362393 /nfs/dbraw/zinc/36/23/93/153362393.db2.gz DNEGMUFSQZDJEZ-ZDUSSCGKSA-N 2 2 334.386 1.724 20 0 EDADLP CCn1cc[nH+]c1CN1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000364891689 153362396 /nfs/dbraw/zinc/36/23/96/153362396.db2.gz DNEGMUFSQZDJEZ-ZDUSSCGKSA-N 2 2 334.386 1.724 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)N1CC[NH+](C2CCC2)CC1 ZINC000367088967 154005955 /nfs/dbraw/zinc/00/59/55/154005955.db2.gz GAIYWYKFXHDPPG-DLBZAZTESA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)N1CC[NH+](C2CCC2)CC1 ZINC000367088967 154005958 /nfs/dbraw/zinc/00/59/58/154005958.db2.gz GAIYWYKFXHDPPG-DLBZAZTESA-N 2 2 336.480 1.119 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@@H]3CC34C[NH2+]C4)n2)c1 ZINC000574543941 306652972 /nfs/dbraw/zinc/65/29/72/306652972.db2.gz ZTGYQGNSVWNLIR-HNNXBMFYSA-N 2 2 326.400 1.646 20 0 EDADLP CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367679325 154226206 /nfs/dbraw/zinc/22/62/06/154226206.db2.gz SIKUSCPPRRWUBL-DLBZAZTESA-N 2 2 325.497 1.678 20 0 EDADLP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367679325 154226208 /nfs/dbraw/zinc/22/62/08/154226208.db2.gz SIKUSCPPRRWUBL-DLBZAZTESA-N 2 2 325.497 1.678 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3nncn3C)CC2)CC1 ZINC000367870525 154306739 /nfs/dbraw/zinc/30/67/39/154306739.db2.gz WDNDLZDSVXJMOX-OAHLLOKOSA-N 2 2 348.495 1.142 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+]CC3([NH3+])CCCCCC3)cn2)CC1 ZINC000574972474 306661140 /nfs/dbraw/zinc/66/11/40/306661140.db2.gz IOCUGFBATLWCOL-UHFFFAOYSA-N 3 2 332.496 1.370 20 0 EDADLP C[C@@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1cn[nH]c1 ZINC000372295166 156317732 /nfs/dbraw/zinc/31/77/32/156317732.db2.gz NFLAUOALQYSHPK-OAHLLOKOSA-N 2 2 349.479 1.212 20 0 EDADLP COC(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000372368066 156355773 /nfs/dbraw/zinc/35/57/73/156355773.db2.gz IGGVSMXQJFKOMN-HNNXBMFYSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000372368066 156355776 /nfs/dbraw/zinc/35/57/76/156355776.db2.gz IGGVSMXQJFKOMN-HNNXBMFYSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000372368066 156355781 /nfs/dbraw/zinc/35/57/81/156355781.db2.gz IGGVSMXQJFKOMN-HNNXBMFYSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000372368066 156355784 /nfs/dbraw/zinc/35/57/84/156355784.db2.gz IGGVSMXQJFKOMN-HNNXBMFYSA-N 2 2 335.448 1.667 20 0 EDADLP NC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000373896050 157052620 /nfs/dbraw/zinc/05/26/20/157052620.db2.gz ZYEOKMUFUSKDHA-CQSZACIVSA-N 2 2 341.415 1.418 20 0 EDADLP COCc1nc(C)cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000374253513 157213644 /nfs/dbraw/zinc/21/36/44/157213644.db2.gz IKBAHWGCWWMICP-HNNXBMFYSA-N 2 2 333.480 1.536 20 0 EDADLP COCc1nc(C)cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000374253513 157213648 /nfs/dbraw/zinc/21/36/48/157213648.db2.gz IKBAHWGCWWMICP-HNNXBMFYSA-N 2 2 333.480 1.536 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374256097 157215749 /nfs/dbraw/zinc/21/57/49/157215749.db2.gz UVWPVBOYCHNEBC-QAPCUYQASA-N 2 2 343.471 1.790 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H]2COc3ccccc32)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374256097 157215752 /nfs/dbraw/zinc/21/57/52/157215752.db2.gz UVWPVBOYCHNEBC-QAPCUYQASA-N 2 2 343.471 1.790 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000374296993 157229806 /nfs/dbraw/zinc/22/98/06/157229806.db2.gz PIJRNUKZOVXILD-RBUKOAKNSA-N 2 2 330.472 1.954 20 0 EDADLP O[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)C[N@H+]1CCc2ccccc2C1 ZINC000374296993 157229809 /nfs/dbraw/zinc/22/98/09/157229809.db2.gz PIJRNUKZOVXILD-RBUKOAKNSA-N 2 2 330.472 1.954 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000378212970 158112398 /nfs/dbraw/zinc/11/23/98/158112398.db2.gz YACCKEYZDYMDNA-GOSISDBHSA-N 2 2 347.422 1.906 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[NH+](CC3CC3)CC1)CCC2 ZINC000378240620 158118334 /nfs/dbraw/zinc/11/83/34/158118334.db2.gz BJZOQTYZPDFOSX-INIZCTEOSA-N 2 2 331.464 1.806 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378309048 158135700 /nfs/dbraw/zinc/13/57/00/158135700.db2.gz AWUMPDIEYCNZQX-FUHWJXTLSA-N 2 2 330.476 1.583 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378309048 158135701 /nfs/dbraw/zinc/13/57/01/158135701.db2.gz AWUMPDIEYCNZQX-FUHWJXTLSA-N 2 2 330.476 1.583 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CC[NH+](C4(C(N)=O)CCCC4)CC3)n2c1 ZINC000378349288 158146834 /nfs/dbraw/zinc/14/68/34/158146834.db2.gz JDLBDLORQOTNEL-UHFFFAOYSA-N 2 2 341.459 1.558 20 0 EDADLP C[N@H+](C[C@H]1CC12CCN(C(=O)NCCn1cc[nH+]c1)CC2)C1CC1 ZINC000378353892 158148216 /nfs/dbraw/zinc/14/82/16/158148216.db2.gz HHVPRKKPQKGEON-OAHLLOKOSA-N 2 2 331.464 1.789 20 0 EDADLP C[N@@H+](C[C@H]1CC12CCN(C(=O)NCCn1cc[nH+]c1)CC2)C1CC1 ZINC000378353892 158148217 /nfs/dbraw/zinc/14/82/17/158148217.db2.gz HHVPRKKPQKGEON-OAHLLOKOSA-N 2 2 331.464 1.789 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)CCO1 ZINC000352345173 162132165 /nfs/dbraw/zinc/13/21/65/162132165.db2.gz JVIYDRRUUHWCGK-CQSZACIVSA-N 2 2 329.448 1.653 20 0 EDADLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)CCO1 ZINC000352345173 162132167 /nfs/dbraw/zinc/13/21/67/162132167.db2.gz JVIYDRRUUHWCGK-CQSZACIVSA-N 2 2 329.448 1.653 20 0 EDADLP CO[C@H]1C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1OC ZINC000352420560 162172997 /nfs/dbraw/zinc/17/29/97/162172997.db2.gz DKYUPWTZJYFQBD-OALUTQOASA-N 2 2 333.476 1.544 20 0 EDADLP CO[C@@H]1C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1OC ZINC000352420561 162173413 /nfs/dbraw/zinc/17/34/13/162173413.db2.gz DKYUPWTZJYFQBD-RTBURBONSA-N 2 2 333.476 1.544 20 0 EDADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000352504635 162217195 /nfs/dbraw/zinc/21/71/95/162217195.db2.gz SNXYSMQAKCJQLT-ICSRJNTNSA-N 2 2 342.487 1.233 20 0 EDADLP CNC(=O)[C@@H](CCSC)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000352504042 162217489 /nfs/dbraw/zinc/21/74/89/162217489.db2.gz MNKQCDAQMUNZOT-MRXNPFEDSA-N 2 2 336.505 1.503 20 0 EDADLP Cc1cccc(-c2noc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000352504033 162217655 /nfs/dbraw/zinc/21/76/55/162217655.db2.gz MKNRODIFPPSAPR-MRXNPFEDSA-N 2 2 327.432 1.525 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000365280868 162360603 /nfs/dbraw/zinc/36/06/03/162360603.db2.gz VJNFBMIRSDJAIU-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000365280868 162360607 /nfs/dbraw/zinc/36/06/07/162360607.db2.gz VJNFBMIRSDJAIU-IRXDYDNUSA-N 2 2 337.508 1.868 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000068757856 287250821 /nfs/dbraw/zinc/25/08/21/287250821.db2.gz WPWPMGLFBHTQGU-OAHLLOKOSA-N 2 2 347.459 1.442 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000068757856 287250824 /nfs/dbraw/zinc/25/08/24/287250824.db2.gz WPWPMGLFBHTQGU-OAHLLOKOSA-N 2 2 347.459 1.442 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000075677749 287278311 /nfs/dbraw/zinc/27/83/11/287278311.db2.gz QADOANKIOOVGOP-KDURUIRLSA-N 2 2 338.540 1.199 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000075677749 287278313 /nfs/dbraw/zinc/27/83/13/287278313.db2.gz QADOANKIOOVGOP-KDURUIRLSA-N 2 2 338.540 1.199 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095040 287311529 /nfs/dbraw/zinc/31/15/29/287311529.db2.gz OMNHYFKPHUNCSV-AEFFLSMTSA-N 3 2 338.540 1.638 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095040 287311531 /nfs/dbraw/zinc/31/15/31/287311531.db2.gz OMNHYFKPHUNCSV-AEFFLSMTSA-N 3 2 338.540 1.638 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095040 287311534 /nfs/dbraw/zinc/31/15/34/287311534.db2.gz OMNHYFKPHUNCSV-AEFFLSMTSA-N 3 2 338.540 1.638 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095040 287311537 /nfs/dbraw/zinc/31/15/37/287311537.db2.gz OMNHYFKPHUNCSV-AEFFLSMTSA-N 3 2 338.540 1.638 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000124128981 287394794 /nfs/dbraw/zinc/39/47/94/287394794.db2.gz NSQOGBJUCXHLIH-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000124128981 287394797 /nfs/dbraw/zinc/39/47/97/287394797.db2.gz NSQOGBJUCXHLIH-IRXDYDNUSA-N 2 2 340.512 1.374 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418440453 304495947 /nfs/dbraw/zinc/49/59/47/304495947.db2.gz ZECYWKCZJBNUFW-IAGOWNOFSA-N 2 2 331.464 1.426 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000418483338 304501489 /nfs/dbraw/zinc/50/14/89/304501489.db2.gz BWKLJISYJQLENJ-RDTXWAMCSA-N 2 2 346.475 1.821 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)CC1 ZINC000428930051 305020226 /nfs/dbraw/zinc/02/02/26/305020226.db2.gz WHOQOETYPXMEOK-LBPRGKRZSA-N 2 2 337.386 1.192 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)CC1 ZINC000428930051 305020227 /nfs/dbraw/zinc/02/02/27/305020227.db2.gz WHOQOETYPXMEOK-LBPRGKRZSA-N 2 2 337.386 1.192 20 0 EDADLP CCN(C[C@H](C)OC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643717515 452516163 /nfs/dbraw/zinc/51/61/63/452516163.db2.gz PPQHHLADVBJVOA-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP CCN(C[C@H](C)OC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643717515 452516168 /nfs/dbraw/zinc/51/61/68/452516168.db2.gz PPQHHLADVBJVOA-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247226736 273015846 /nfs/dbraw/zinc/01/58/46/273015846.db2.gz YALVGWCMRSGCNM-RDJZCZTQSA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247226736 273015848 /nfs/dbraw/zinc/01/58/48/273015848.db2.gz YALVGWCMRSGCNM-RDJZCZTQSA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247226736 273015849 /nfs/dbraw/zinc/01/58/49/273015849.db2.gz YALVGWCMRSGCNM-RDJZCZTQSA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247226736 273015850 /nfs/dbraw/zinc/01/58/50/273015850.db2.gz YALVGWCMRSGCNM-RDJZCZTQSA-N 2 2 346.475 1.817 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000236636836 267915165 /nfs/dbraw/zinc/91/51/65/267915165.db2.gz ZMDWSSMOOUXAGQ-GOSISDBHSA-N 2 2 333.476 1.964 20 0 EDADLP COc1ccc(CN2CCC[N@H+](CCn3cc[nH+]c3)CC2=O)cc1 ZINC000274317285 268123999 /nfs/dbraw/zinc/12/39/99/268123999.db2.gz BQZFOXZSOGVOFI-UHFFFAOYSA-N 2 2 328.416 1.626 20 0 EDADLP COc1ccc(CN2CCC[N@@H+](CCn3cc[nH+]c3)CC2=O)cc1 ZINC000274317285 268124001 /nfs/dbraw/zinc/12/40/01/268124001.db2.gz BQZFOXZSOGVOFI-UHFFFAOYSA-N 2 2 328.416 1.626 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C1 ZINC000273109992 273029036 /nfs/dbraw/zinc/02/90/36/273029036.db2.gz PZBIGTMRORWGNS-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C1 ZINC000273109992 273029037 /nfs/dbraw/zinc/02/90/37/273029037.db2.gz PZBIGTMRORWGNS-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000277366483 273193444 /nfs/dbraw/zinc/19/34/44/273193444.db2.gz BHJQXHKJGMDJLY-KRWDZBQOSA-N 2 2 348.516 1.561 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000277366483 273193445 /nfs/dbraw/zinc/19/34/45/273193445.db2.gz BHJQXHKJGMDJLY-KRWDZBQOSA-N 2 2 348.516 1.561 20 0 EDADLP Cc1nn2c(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)c(C)nc2s1 ZINC000278034930 273241928 /nfs/dbraw/zinc/24/19/28/273241928.db2.gz XFAJQXGEFMFDLI-LBPRGKRZSA-N 2 2 337.493 1.998 20 0 EDADLP Cc1nn2c(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)c(C)nc2s1 ZINC000278034930 273241929 /nfs/dbraw/zinc/24/19/29/273241929.db2.gz XFAJQXGEFMFDLI-LBPRGKRZSA-N 2 2 337.493 1.998 20 0 EDADLP COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000278364187 273261504 /nfs/dbraw/zinc/26/15/04/273261504.db2.gz RVMTVXTWDXCKNH-DLBZAZTESA-N 2 2 346.431 1.113 20 0 EDADLP COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000278364187 273261505 /nfs/dbraw/zinc/26/15/05/273261505.db2.gz RVMTVXTWDXCKNH-DLBZAZTESA-N 2 2 346.431 1.113 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000279254199 273289488 /nfs/dbraw/zinc/28/94/88/273289488.db2.gz PUWUPHUVGHYFEX-FUHWJXTLSA-N 2 2 348.491 1.651 20 0 EDADLP O[C@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C[NH+]1CCCCC1 ZINC000279997063 273338656 /nfs/dbraw/zinc/33/86/56/273338656.db2.gz ROFCPHGRNRAHIO-MRXNPFEDSA-N 2 2 349.866 1.857 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280534076 273368175 /nfs/dbraw/zinc/36/81/75/273368175.db2.gz ABRPNDQTQGMUEF-QUCCMNQESA-N 2 2 343.471 1.525 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)ccc2[nH+]1 ZINC000284528068 274234413 /nfs/dbraw/zinc/23/44/13/274234413.db2.gz GJCZLDCKMHSZEL-HUUCEWRRSA-N 2 2 329.404 1.580 20 0 EDADLP Cc1cn2cc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)ccc2[nH+]1 ZINC000284528068 274234416 /nfs/dbraw/zinc/23/44/16/274234416.db2.gz GJCZLDCKMHSZEL-HUUCEWRRSA-N 2 2 329.404 1.580 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000284634654 274273060 /nfs/dbraw/zinc/27/30/60/274273060.db2.gz VIWAYPRSJRRLRI-RBUKOAKNSA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000284634654 274273062 /nfs/dbraw/zinc/27/30/62/274273062.db2.gz VIWAYPRSJRRLRI-RBUKOAKNSA-N 2 2 343.471 1.828 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@H]2COC[C@H]2n2ccnn2)CC[N@@H+]1Cc1ccccc1 ZINC000284765946 274323528 /nfs/dbraw/zinc/32/35/28/274323528.db2.gz JHZRXLFDIRZDNC-WZGPROSRSA-N 2 2 341.459 1.861 20 0 EDADLP C[C@H]1C[C@H]([NH2+][C@H]2COC[C@H]2n2ccnn2)CC[N@H+]1Cc1ccccc1 ZINC000284765946 274323530 /nfs/dbraw/zinc/32/35/30/274323530.db2.gz JHZRXLFDIRZDNC-WZGPROSRSA-N 2 2 341.459 1.861 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]([NH2+]C)c2cnn(C)c2)C1 ZINC000285712743 274626813 /nfs/dbraw/zinc/62/68/13/274626813.db2.gz DIFUCSJQSTWWST-GDBMZVCRSA-N 2 2 330.436 1.303 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365590000 276007572 /nfs/dbraw/zinc/00/75/72/276007572.db2.gz WDKXCKDYWIWIAU-SQNIBIBYSA-N 2 2 337.508 1.674 20 0 EDADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365590000 276007575 /nfs/dbraw/zinc/00/75/75/276007575.db2.gz WDKXCKDYWIWIAU-SQNIBIBYSA-N 2 2 337.508 1.674 20 0 EDADLP CCC(O)(CC)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372558 276214003 /nfs/dbraw/zinc/21/40/03/276214003.db2.gz JZFWXPJITHMAER-CQSZACIVSA-N 2 2 326.485 1.005 20 0 EDADLP CCC(O)(CC)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372558 276214006 /nfs/dbraw/zinc/21/40/06/276214006.db2.gz JZFWXPJITHMAER-CQSZACIVSA-N 2 2 326.485 1.005 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000344697565 276243007 /nfs/dbraw/zinc/24/30/07/276243007.db2.gz LJICMFXQMRYGDY-WBVHZDCISA-N 3 2 338.540 1.543 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000344697565 276243009 /nfs/dbraw/zinc/24/30/09/276243009.db2.gz LJICMFXQMRYGDY-WBVHZDCISA-N 3 2 338.540 1.543 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173311396 276324877 /nfs/dbraw/zinc/32/48/77/276324877.db2.gz PQOBKGBRXCXYDZ-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000330522969 276536103 /nfs/dbraw/zinc/53/61/03/276536103.db2.gz JDJNGGSQYCPQOH-BRWVUGGUSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000417662511 287912618 /nfs/dbraw/zinc/91/26/18/287912618.db2.gz SDGYQGCXRSOFAX-TYNCELHUSA-N 2 2 340.418 1.959 20 0 EDADLP C[C@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)C[NH+]1CCOCC1 ZINC000286007978 287913449 /nfs/dbraw/zinc/91/34/49/287913449.db2.gz JBTDVYNHIRGYBX-HZPDHXFCSA-N 2 2 329.448 1.886 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3Cc4ccccc4C3)C2)CC1 ZINC000369371802 277027414 /nfs/dbraw/zinc/02/74/14/277027414.db2.gz YFMYKNWCHZKAEG-QGZVFWFLSA-N 2 2 328.460 1.880 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3Cc4ccccc4C3)C2)CC1 ZINC000369371802 277027415 /nfs/dbraw/zinc/02/74/15/277027415.db2.gz YFMYKNWCHZKAEG-QGZVFWFLSA-N 2 2 328.460 1.880 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4c(s3)CCOC4)C2)CC1 ZINC000369269403 277027842 /nfs/dbraw/zinc/02/78/42/277027842.db2.gz WJVGSFKLGXFDQK-CQSZACIVSA-N 2 2 349.500 1.719 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4c(s3)CCOC4)C2)CC1 ZINC000369269403 277027843 /nfs/dbraw/zinc/02/78/43/277027843.db2.gz WJVGSFKLGXFDQK-CQSZACIVSA-N 2 2 349.500 1.719 20 0 EDADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000362480834 278117621 /nfs/dbraw/zinc/11/76/21/278117621.db2.gz APMVDCJLJQKDFI-CABCVRRESA-N 2 2 325.478 1.707 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000184929515 279164847 /nfs/dbraw/zinc/16/48/47/279164847.db2.gz XSPYQLYVGNHKJV-HNNXBMFYSA-N 2 2 346.479 1.491 20 0 EDADLP CC(C)C[C@H](CO)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368788735 279167302 /nfs/dbraw/zinc/16/73/02/279167302.db2.gz BWFQXHVNKJMFQV-DOTOQJQBSA-N 2 2 340.512 1.203 20 0 EDADLP CC(C)C[C@H](CO)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368788735 279167307 /nfs/dbraw/zinc/16/73/07/279167307.db2.gz BWFQXHVNKJMFQV-DOTOQJQBSA-N 2 2 340.512 1.203 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358959118 279379611 /nfs/dbraw/zinc/37/96/11/279379611.db2.gz QAGUNWFRZLKLAE-HNNXBMFYSA-N 3 2 327.517 1.040 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358959118 279379615 /nfs/dbraw/zinc/37/96/15/279379615.db2.gz QAGUNWFRZLKLAE-HNNXBMFYSA-N 3 2 327.517 1.040 20 0 EDADLP CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000287207410 288180512 /nfs/dbraw/zinc/18/05/12/288180512.db2.gz DULLNGHPEQTDRV-MRXNPFEDSA-N 2 2 349.475 1.550 20 0 EDADLP CC[C@@H](C)[N@@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000287207410 288180516 /nfs/dbraw/zinc/18/05/16/288180516.db2.gz DULLNGHPEQTDRV-MRXNPFEDSA-N 2 2 349.475 1.550 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370193 280241462 /nfs/dbraw/zinc/24/14/62/280241462.db2.gz FWKDCGCDNSBDIS-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370193 280241464 /nfs/dbraw/zinc/24/14/64/280241464.db2.gz FWKDCGCDNSBDIS-MSOLQXFVSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000289023348 288614746 /nfs/dbraw/zinc/61/47/46/288614746.db2.gz INGKRCSHKOHHDU-SWLSCSKDSA-N 2 2 333.411 1.898 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000289692313 288761235 /nfs/dbraw/zinc/76/12/35/288761235.db2.gz DYALXUHQMMFFSS-BHIYHBOVSA-N 2 2 345.487 1.873 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CCO1 ZINC000343385083 288768547 /nfs/dbraw/zinc/76/85/47/288768547.db2.gz BSIMMECDEXRJIT-ACXGAUJLSA-N 2 2 332.448 1.772 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000290005780 288819730 /nfs/dbraw/zinc/81/97/30/288819730.db2.gz CLJPBVZFRPTTKW-RHSMWYFYSA-N 2 2 332.448 1.799 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292053812 289250352 /nfs/dbraw/zinc/25/03/52/289250352.db2.gz BTZPXGKWORURAM-IBGZPJMESA-N 2 2 331.460 1.681 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292053812 289250356 /nfs/dbraw/zinc/25/03/56/289250356.db2.gz BTZPXGKWORURAM-IBGZPJMESA-N 2 2 331.460 1.681 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292053812 289250358 /nfs/dbraw/zinc/25/03/58/289250358.db2.gz BTZPXGKWORURAM-IBGZPJMESA-N 2 2 331.460 1.681 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292053812 289250362 /nfs/dbraw/zinc/25/03/62/289250362.db2.gz BTZPXGKWORURAM-IBGZPJMESA-N 2 2 331.460 1.681 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292129952 289268454 /nfs/dbraw/zinc/26/84/54/289268454.db2.gz LDWBYZBKQNKJCU-HNAYVOBHSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292129952 289268458 /nfs/dbraw/zinc/26/84/58/289268458.db2.gz LDWBYZBKQNKJCU-HNAYVOBHSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292129952 289268461 /nfs/dbraw/zinc/26/84/61/289268461.db2.gz LDWBYZBKQNKJCU-HNAYVOBHSA-N 2 2 331.460 1.728 20 0 EDADLP COc1cccc(CNC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292129952 289268462 /nfs/dbraw/zinc/26/84/62/289268462.db2.gz LDWBYZBKQNKJCU-HNAYVOBHSA-N 2 2 331.460 1.728 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[NH+]2CCCCC2)CCOc2ccccc21 ZINC000371596512 289398039 /nfs/dbraw/zinc/39/80/39/289398039.db2.gz HWSMPFNCMWHSLJ-LJQANCHMSA-N 2 2 331.460 1.828 20 0 EDADLP C[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)[N@@H+]1CCc2ccccc2C1 ZINC000292625590 289398440 /nfs/dbraw/zinc/39/84/40/289398440.db2.gz XKKUSTVTQSLGSJ-HNNXBMFYSA-N 2 2 339.443 1.855 20 0 EDADLP C[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)[N@H+]1CCc2ccccc2C1 ZINC000292625590 289398442 /nfs/dbraw/zinc/39/84/42/289398442.db2.gz XKKUSTVTQSLGSJ-HNNXBMFYSA-N 2 2 339.443 1.855 20 0 EDADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000271444488 295212633 /nfs/dbraw/zinc/21/26/33/295212633.db2.gz SOALNHXDYNOVAJ-QZTJIDSGSA-N 2 2 347.459 1.279 20 0 EDADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000271444488 295212635 /nfs/dbraw/zinc/21/26/35/295212635.db2.gz SOALNHXDYNOVAJ-QZTJIDSGSA-N 2 2 347.459 1.279 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000354376008 297193971 /nfs/dbraw/zinc/19/39/71/297193971.db2.gz AMGLIDBDYRZZIY-MUJYYYPQSA-N 2 2 325.497 1.674 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000354376008 297193972 /nfs/dbraw/zinc/19/39/72/297193972.db2.gz AMGLIDBDYRZZIY-MUJYYYPQSA-N 2 2 325.497 1.674 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000418616771 304519867 /nfs/dbraw/zinc/51/98/67/304519867.db2.gz HBUXLHWUVLNVPV-HUUCEWRRSA-N 2 2 334.464 1.691 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cn2c1 ZINC000418841027 304539465 /nfs/dbraw/zinc/53/94/65/304539465.db2.gz DBUJBNKKWMUJDG-OAHLLOKOSA-N 2 2 345.447 1.091 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC[C@H](C)OC)CC2)CC1 ZINC000422016749 447310403 /nfs/dbraw/zinc/31/04/03/447310403.db2.gz IKQQTONGTLJPIL-INIZCTEOSA-N 2 2 325.497 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC[C@H](C)OC)CC2)CC1 ZINC000422016749 447310408 /nfs/dbraw/zinc/31/04/08/447310408.db2.gz IKQQTONGTLJPIL-INIZCTEOSA-N 2 2 325.497 1.820 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000416879136 301791024 /nfs/dbraw/zinc/79/10/24/301791024.db2.gz CRVPCZOOJQUZKC-RDJZCZTQSA-N 2 2 334.464 1.262 20 0 EDADLP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)[NH+]1CCC(C)CC1 ZINC000414710355 447317315 /nfs/dbraw/zinc/31/73/15/447317315.db2.gz SIRYOKNWSQPCBI-OAHLLOKOSA-N 2 2 347.463 1.475 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000448467992 447321583 /nfs/dbraw/zinc/32/15/83/447321583.db2.gz SFNIXXPOENFYGI-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000448467992 447321588 /nfs/dbraw/zinc/32/15/88/447321588.db2.gz SFNIXXPOENFYGI-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000448467992 447321592 /nfs/dbraw/zinc/32/15/92/447321592.db2.gz SFNIXXPOENFYGI-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000448467992 447321596 /nfs/dbraw/zinc/32/15/96/447321596.db2.gz SFNIXXPOENFYGI-PMPSAXMXSA-N 2 2 326.485 1.079 20 0 EDADLP CCC(CC)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000422044717 447325985 /nfs/dbraw/zinc/32/59/85/447325985.db2.gz XXPCLFXGEQLXSL-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CCC(CC)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000422044717 447325993 /nfs/dbraw/zinc/32/59/93/447325993.db2.gz XXPCLFXGEQLXSL-DLBZAZTESA-N 2 2 325.497 1.676 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)[C@@H](C)C1 ZINC000293804585 303021452 /nfs/dbraw/zinc/02/14/52/303021452.db2.gz VHIDVDUXFQLZHM-ZDUSSCGKSA-N 2 2 329.404 1.134 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)[C@@H](C)C1 ZINC000293804585 303021456 /nfs/dbraw/zinc/02/14/56/303021456.db2.gz VHIDVDUXFQLZHM-ZDUSSCGKSA-N 2 2 329.404 1.134 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293833136 303026070 /nfs/dbraw/zinc/02/60/70/303026070.db2.gz GSOIXYNZYOOSLQ-UHFFFAOYSA-N 2 2 346.475 1.475 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293833136 303026071 /nfs/dbraw/zinc/02/60/71/303026071.db2.gz GSOIXYNZYOOSLQ-UHFFFAOYSA-N 2 2 346.475 1.475 20 0 EDADLP CC(C)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCOCC1 ZINC000294233285 303081138 /nfs/dbraw/zinc/08/11/38/303081138.db2.gz BJYHCUYOAFROJW-KRWDZBQOSA-N 2 2 343.431 1.354 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000294325216 303091989 /nfs/dbraw/zinc/09/19/89/303091989.db2.gz IZUOTHHIKDZYMH-HNNXBMFYSA-N 2 2 334.807 1.473 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000294325216 303091992 /nfs/dbraw/zinc/09/19/92/303091992.db2.gz IZUOTHHIKDZYMH-HNNXBMFYSA-N 2 2 334.807 1.473 20 0 EDADLP FC(F)(F)c1ccc(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1 ZINC000422991078 303118675 /nfs/dbraw/zinc/11/86/75/303118675.db2.gz PEDBPDAIOWKFEB-HIFRSBDPSA-N 2 2 345.365 1.836 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000294546735 303121818 /nfs/dbraw/zinc/12/18/18/303121818.db2.gz SWUXADKTKFPVJE-UHFFFAOYSA-N 2 2 348.410 1.620 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000295542733 303232740 /nfs/dbraw/zinc/23/27/40/303232740.db2.gz CVJFFJBFJZDOCT-GOSISDBHSA-N 2 2 341.459 1.508 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1CCOC ZINC000295878321 303278939 /nfs/dbraw/zinc/27/89/39/303278939.db2.gz PKOFWKKJURHWBS-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@H+]1CCOC ZINC000295878321 303278942 /nfs/dbraw/zinc/27/89/42/303278942.db2.gz PKOFWKKJURHWBS-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP CSC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000296028973 303290115 /nfs/dbraw/zinc/29/01/15/303290115.db2.gz RXCRUETZULECAV-HUUCEWRRSA-N 2 2 337.489 1.859 20 0 EDADLP O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000296936111 303348587 /nfs/dbraw/zinc/34/85/87/303348587.db2.gz MPWINILWGTVULB-SFHVURJKSA-N 2 2 349.450 1.363 20 0 EDADLP O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000296936111 303348589 /nfs/dbraw/zinc/34/85/89/303348589.db2.gz MPWINILWGTVULB-SFHVURJKSA-N 2 2 349.450 1.363 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000190263603 303368580 /nfs/dbraw/zinc/36/85/80/303368580.db2.gz MKWJHYKESAAZCA-CYBMUJFWSA-N 2 2 329.416 1.487 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000297381608 303392061 /nfs/dbraw/zinc/39/20/61/303392061.db2.gz QMNVZCFQJZDBJZ-CVEARBPZSA-N 2 2 331.464 1.786 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000297489437 303404776 /nfs/dbraw/zinc/40/47/76/303404776.db2.gz WDMJTVDELRNLBM-INIZCTEOSA-N 2 2 329.448 1.875 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377742791 447332169 /nfs/dbraw/zinc/33/21/69/447332169.db2.gz LJDNXOYETXJWGK-ROUUACIJSA-N 2 2 338.540 1.591 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377742791 447332171 /nfs/dbraw/zinc/33/21/71/447332171.db2.gz LJDNXOYETXJWGK-ROUUACIJSA-N 2 2 338.540 1.591 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000301472039 303680180 /nfs/dbraw/zinc/68/01/80/303680180.db2.gz PUAPFKMMPRLWHN-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP Cc1cc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc(C)[nH+]1 ZINC000420852818 304780989 /nfs/dbraw/zinc/78/09/89/304780989.db2.gz SQFXBANCQGHOSV-UHFFFAOYSA-N 2 2 346.475 1.952 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000422919650 304880421 /nfs/dbraw/zinc/88/04/21/304880421.db2.gz KQVVDPNFBUZOFV-FUHWJXTLSA-N 2 2 346.475 1.534 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923595 304917283 /nfs/dbraw/zinc/91/72/83/304917283.db2.gz CKMNAAPICOKCCM-LSDHHAIUSA-N 2 2 332.448 1.517 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428048245 305005619 /nfs/dbraw/zinc/00/56/19/305005619.db2.gz HXHVQERARPHEQE-HKUYNNGSSA-N 2 2 345.487 1.913 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428048245 305005620 /nfs/dbraw/zinc/00/56/20/305005620.db2.gz HXHVQERARPHEQE-HKUYNNGSSA-N 2 2 345.487 1.913 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428051613 305005726 /nfs/dbraw/zinc/00/57/26/305005726.db2.gz WEPGWVBIPXWLNZ-SWLSCSKDSA-N 2 2 332.404 1.027 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428051613 305005727 /nfs/dbraw/zinc/00/57/27/305005727.db2.gz WEPGWVBIPXWLNZ-SWLSCSKDSA-N 2 2 332.404 1.027 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000428058455 305006136 /nfs/dbraw/zinc/00/61/36/305006136.db2.gz YVBRNDQSHXLACV-SZMVWBNQSA-N 2 2 347.434 1.409 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000428058455 305006137 /nfs/dbraw/zinc/00/61/37/305006137.db2.gz YVBRNDQSHXLACV-SZMVWBNQSA-N 2 2 347.434 1.409 20 0 EDADLP CCc1nc(C)c(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)o1 ZINC000428238167 305008783 /nfs/dbraw/zinc/00/87/83/305008783.db2.gz OASXNYGDVDDFTA-UHFFFAOYSA-N 2 2 330.436 1.724 20 0 EDADLP COCC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000429253976 305026653 /nfs/dbraw/zinc/02/66/53/305026653.db2.gz JJEOXASPTVICNT-UHFFFAOYSA-N 2 2 339.505 1.749 20 0 EDADLP COCC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000429253976 305026654 /nfs/dbraw/zinc/02/66/54/305026654.db2.gz JJEOXASPTVICNT-UHFFFAOYSA-N 2 2 339.505 1.749 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430538680 305055780 /nfs/dbraw/zinc/05/57/80/305055780.db2.gz CMPLCIIHUZVONL-IPYPFGDCSA-N 2 2 332.448 1.432 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430538680 305055781 /nfs/dbraw/zinc/05/57/81/305055781.db2.gz CMPLCIIHUZVONL-IPYPFGDCSA-N 2 2 332.448 1.432 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC000430608763 305058637 /nfs/dbraw/zinc/05/86/37/305058637.db2.gz GCEZBFNGTJYYLK-UHFFFAOYSA-N 3 2 344.503 1.323 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)CC1 ZINC000430608763 305058638 /nfs/dbraw/zinc/05/86/38/305058638.db2.gz GCEZBFNGTJYYLK-UHFFFAOYSA-N 3 2 344.503 1.323 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430610314 305058781 /nfs/dbraw/zinc/05/87/81/305058781.db2.gz KHYSKMGMYKVPDA-UHFFFAOYSA-N 2 2 339.867 1.861 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430610314 305058782 /nfs/dbraw/zinc/05/87/82/305058782.db2.gz KHYSKMGMYKVPDA-UHFFFAOYSA-N 2 2 339.867 1.861 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000430610047 305058811 /nfs/dbraw/zinc/05/88/11/305058811.db2.gz JQBQAPREAAIQIM-UONOGXRCSA-N 2 2 339.430 1.943 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000430610047 305058812 /nfs/dbraw/zinc/05/88/12/305058812.db2.gz JQBQAPREAAIQIM-UONOGXRCSA-N 2 2 339.430 1.943 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430648786 305061214 /nfs/dbraw/zinc/06/12/14/305061214.db2.gz HPBLLTFXLSRWIA-LBPRGKRZSA-N 2 2 338.839 1.031 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430648786 305061215 /nfs/dbraw/zinc/06/12/15/305061215.db2.gz HPBLLTFXLSRWIA-LBPRGKRZSA-N 2 2 338.839 1.031 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430650208 305061292 /nfs/dbraw/zinc/06/12/92/305061292.db2.gz UMVPFGGOVRJAQY-MSOLQXFVSA-N 2 2 344.503 1.655 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000430650208 305061293 /nfs/dbraw/zinc/06/12/93/305061293.db2.gz UMVPFGGOVRJAQY-MSOLQXFVSA-N 2 2 344.503 1.655 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC[N@@H+]1CCOC ZINC000430719962 305063213 /nfs/dbraw/zinc/06/32/13/305063213.db2.gz LJIBMLGWKVAMCW-YOEHRIQHSA-N 2 2 335.448 1.264 20 0 EDADLP CC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC[N@H+]1CCOC ZINC000430719962 305063214 /nfs/dbraw/zinc/06/32/14/305063214.db2.gz LJIBMLGWKVAMCW-YOEHRIQHSA-N 2 2 335.448 1.264 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000430913181 305067623 /nfs/dbraw/zinc/06/76/23/305067623.db2.gz SHGIHSHCVXGQHU-QAPCUYQASA-N 2 2 347.459 1.279 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000430941307 305069627 /nfs/dbraw/zinc/06/96/27/305069627.db2.gz VOGGZCNJEOBALH-QGZVFWFLSA-N 2 2 341.459 1.072 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000430941307 305069628 /nfs/dbraw/zinc/06/96/28/305069628.db2.gz VOGGZCNJEOBALH-QGZVFWFLSA-N 2 2 341.459 1.072 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000430948370 305070112 /nfs/dbraw/zinc/07/01/12/305070112.db2.gz IRQXSGOPXCLNPK-MWLCHTKSSA-N 2 2 327.331 1.616 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000430948370 305070113 /nfs/dbraw/zinc/07/01/13/305070113.db2.gz IRQXSGOPXCLNPK-MWLCHTKSSA-N 2 2 327.331 1.616 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000430948369 305070174 /nfs/dbraw/zinc/07/01/74/305070174.db2.gz IRQXSGOPXCLNPK-KOLCDFICSA-N 2 2 327.331 1.616 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000430948369 305070175 /nfs/dbraw/zinc/07/01/75/305070175.db2.gz IRQXSGOPXCLNPK-KOLCDFICSA-N 2 2 327.331 1.616 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000430960107 305071045 /nfs/dbraw/zinc/07/10/45/305071045.db2.gz HCDDAQPOODXMQW-CABCVRRESA-N 2 2 349.475 1.731 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)C1 ZINC000430960107 305071046 /nfs/dbraw/zinc/07/10/46/305071046.db2.gz HCDDAQPOODXMQW-CABCVRRESA-N 2 2 349.475 1.731 20 0 EDADLP Cc1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc(N(C)C)[nH+]1 ZINC000433799911 305113293 /nfs/dbraw/zinc/11/32/93/305113293.db2.gz ACDUGGYMEUSGBZ-HNNXBMFYSA-N 2 2 334.468 1.327 20 0 EDADLP Cc1nc(N(C)C)nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000433799911 305113294 /nfs/dbraw/zinc/11/32/94/305113294.db2.gz ACDUGGYMEUSGBZ-HNNXBMFYSA-N 2 2 334.468 1.327 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434427312 305122303 /nfs/dbraw/zinc/12/23/03/305122303.db2.gz ZXYYYBRAIAJNET-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434427312 305122304 /nfs/dbraw/zinc/12/23/04/305122304.db2.gz ZXYYYBRAIAJNET-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)[C@H]1CCCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435563531 305142472 /nfs/dbraw/zinc/14/24/72/305142472.db2.gz MLRNGPLGKFVYQV-HUUCEWRRSA-N 2 2 332.448 1.460 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCn1cc[nH+]c1 ZINC000438829777 305189634 /nfs/dbraw/zinc/18/96/34/305189634.db2.gz DVFQAWBLGJBZFY-LLVKDONJSA-N 2 2 325.210 1.486 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000439362882 305196628 /nfs/dbraw/zinc/19/66/28/305196628.db2.gz WHVXQXXKOJMKTK-CQSZACIVSA-N 2 2 341.415 1.363 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000439362882 305196629 /nfs/dbraw/zinc/19/66/29/305196629.db2.gz WHVXQXXKOJMKTK-CQSZACIVSA-N 2 2 341.415 1.363 20 0 EDADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O)[NH+](C)C ZINC000442986774 305232624 /nfs/dbraw/zinc/23/26/24/305232624.db2.gz CWBCJORYVZUOCH-WMLDXEAASA-N 2 2 344.459 1.173 20 0 EDADLP COc1nccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000449162615 305308316 /nfs/dbraw/zinc/30/83/16/305308316.db2.gz JTMSELZKMOMJQQ-GOSISDBHSA-N 2 2 328.416 1.212 20 0 EDADLP COc1nccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000449162615 305308317 /nfs/dbraw/zinc/30/83/17/305308317.db2.gz JTMSELZKMOMJQQ-GOSISDBHSA-N 2 2 328.416 1.212 20 0 EDADLP COC(=O)Cn1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)nn1 ZINC000449260067 305309999 /nfs/dbraw/zinc/30/99/99/305309999.db2.gz WDMHNYWJVDDIKW-UHFFFAOYSA-N 2 2 337.468 1.585 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+]1CC[C@@H](F)C1 ZINC000451189467 305333655 /nfs/dbraw/zinc/33/36/55/305333655.db2.gz FJZYAKDYXNGAOL-MAUKXSAKSA-N 2 2 349.450 1.567 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+]1CC[C@@H](F)C1 ZINC000451189467 305333656 /nfs/dbraw/zinc/33/36/56/305333656.db2.gz FJZYAKDYXNGAOL-MAUKXSAKSA-N 2 2 349.450 1.567 20 0 EDADLP COc1ncccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000488178163 305556933 /nfs/dbraw/zinc/55/69/33/305556933.db2.gz GDLAPFWFVFWQMF-UHFFFAOYSA-N 2 2 328.420 1.268 20 0 EDADLP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000377797818 447360226 /nfs/dbraw/zinc/36/02/26/447360226.db2.gz ABZRLGNLUUBINP-ZWKOTPCHSA-N 2 2 328.460 1.362 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000521611784 305790881 /nfs/dbraw/zinc/79/08/81/305790881.db2.gz VCFVPWZYHRYNMO-FNHZYXHNSA-N 2 2 331.460 1.946 20 0 EDADLP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000525857379 305829288 /nfs/dbraw/zinc/82/92/88/305829288.db2.gz WRVDXVARZSGLEV-UONOGXRCSA-N 2 2 328.420 1.360 20 0 EDADLP Cc1c(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cnn1C ZINC000425938822 447364150 /nfs/dbraw/zinc/36/41/50/447364150.db2.gz AWVMRBYHAAENJU-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP Cc1c(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cnn1C ZINC000425938822 447364156 /nfs/dbraw/zinc/36/41/56/447364156.db2.gz AWVMRBYHAAENJU-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP Cc1c(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000425938822 447364162 /nfs/dbraw/zinc/36/41/62/447364162.db2.gz AWVMRBYHAAENJU-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP Cc1c(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000425938822 447364168 /nfs/dbraw/zinc/36/41/68/447364168.db2.gz AWVMRBYHAAENJU-LJQANCHMSA-N 2 2 328.460 1.797 20 0 EDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000532032303 305971782 /nfs/dbraw/zinc/97/17/82/305971782.db2.gz ODKHVPRGWNBGFW-UHFFFAOYSA-N 2 2 340.387 1.459 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)[NH+](C)C ZINC000532187537 305976374 /nfs/dbraw/zinc/97/63/74/305976374.db2.gz NRWALZAHDDFFMH-INIZCTEOSA-N 2 2 347.459 1.442 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncn1 ZINC000535733069 306015663 /nfs/dbraw/zinc/01/56/63/306015663.db2.gz ZDYUVZIPMYSBDN-XYPWUTKMSA-N 2 2 329.448 1.168 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncn1 ZINC000535733069 306015664 /nfs/dbraw/zinc/01/56/64/306015664.db2.gz ZDYUVZIPMYSBDN-XYPWUTKMSA-N 2 2 329.448 1.168 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000536553810 306022232 /nfs/dbraw/zinc/02/22/32/306022232.db2.gz JXFYSBFIQQZAOM-SJORKVTESA-N 2 2 339.528 1.138 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1C ZINC000536553810 306022233 /nfs/dbraw/zinc/02/22/33/306022233.db2.gz JXFYSBFIQQZAOM-SJORKVTESA-N 2 2 339.528 1.138 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1c[nH]c[nH+]1 ZINC000540519890 306039886 /nfs/dbraw/zinc/03/98/86/306039886.db2.gz BEYJPKKZUWWBGP-UHFFFAOYSA-N 2 2 327.432 1.863 20 0 EDADLP C[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000541153545 306044277 /nfs/dbraw/zinc/04/42/77/306044277.db2.gz LZHUSHALLQDKJB-CVEARBPZSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H](C)c3ccon3)CC2)c1 ZINC000544548842 306076218 /nfs/dbraw/zinc/07/62/18/306076218.db2.gz LITRNSBHFWKZGG-INIZCTEOSA-N 2 2 342.443 1.978 20 0 EDADLP CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[NH+](CC)CC ZINC000545188066 306081813 /nfs/dbraw/zinc/08/18/13/306081813.db2.gz OPPKYZJVEIQOSH-BBWFWOEESA-N 2 2 325.497 1.866 20 0 EDADLP CC(C)(C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1c[nH]c[nH+]1 ZINC000547764316 306110998 /nfs/dbraw/zinc/11/09/98/306110998.db2.gz FBDQXEQJMHXXPP-UHFFFAOYSA-N 2 2 334.464 1.839 20 0 EDADLP CC(C)(C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1c[nH+]c[nH]1 ZINC000547764316 306110999 /nfs/dbraw/zinc/11/09/99/306110999.db2.gz FBDQXEQJMHXXPP-UHFFFAOYSA-N 2 2 334.464 1.839 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000547863978 306113968 /nfs/dbraw/zinc/11/39/68/306113968.db2.gz MYTUYLJSJQXSTN-OAHLLOKOSA-N 2 2 343.475 1.487 20 0 EDADLP C[C@](C[NH3+])(NC(=O)Nc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000414951708 447370572 /nfs/dbraw/zinc/37/05/72/447370572.db2.gz HBEYKKMWDPFTSB-GOSISDBHSA-N 2 2 332.448 1.768 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000415112654 447390445 /nfs/dbraw/zinc/39/04/45/447390445.db2.gz VSBRKUCPOCAOFT-KKUMJFAQSA-N 3 2 336.459 1.049 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000657092038 453674575 /nfs/dbraw/zinc/67/45/75/453674575.db2.gz AKRRZCRSYFSMIE-UHFFFAOYSA-N 2 2 333.885 1.502 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000657092038 453674578 /nfs/dbraw/zinc/67/45/78/453674578.db2.gz AKRRZCRSYFSMIE-UHFFFAOYSA-N 2 2 333.885 1.502 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)CSC)CC2)CC1 ZINC000422222424 447409677 /nfs/dbraw/zinc/40/96/77/447409677.db2.gz AKSMHIBBTWTSDB-HNNXBMFYSA-N 2 2 342.553 1.940 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)CSC)CC2)CC1 ZINC000422222424 447409679 /nfs/dbraw/zinc/40/96/79/447409679.db2.gz AKSMHIBBTWTSDB-HNNXBMFYSA-N 2 2 342.553 1.940 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CNc1nc(N)c2cc(OC)c(OC)cc2[nH+]1 ZINC000450215331 447435720 /nfs/dbraw/zinc/43/57/20/447435720.db2.gz JVFYIWQOTIRREW-NSHDSACASA-N 2 2 331.420 1.547 20 0 EDADLP CC[N@H+]1CCC[C@H]1CNc1nc(N)c2cc(OC)c(OC)cc2[nH+]1 ZINC000450215331 447435724 /nfs/dbraw/zinc/43/57/24/447435724.db2.gz JVFYIWQOTIRREW-NSHDSACASA-N 2 2 331.420 1.547 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000046313943 441100210 /nfs/dbraw/zinc/10/02/10/441100210.db2.gz JZFBNKDMTJZLRI-DOTOQJQBSA-N 2 2 340.512 1.517 20 0 EDADLP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000080530144 441177404 /nfs/dbraw/zinc/17/74/04/441177404.db2.gz OCNCCIGXZMTSCY-ZWKOTPCHSA-N 2 2 328.460 1.600 20 0 EDADLP O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000080530144 441177407 /nfs/dbraw/zinc/17/74/07/441177407.db2.gz OCNCCIGXZMTSCY-ZWKOTPCHSA-N 2 2 328.460 1.600 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)Cn1cc[nH+]c1)[NH+]1CCCC1 ZINC000072812872 441262615 /nfs/dbraw/zinc/26/26/15/441262615.db2.gz MPGNLWWRLBNRIC-INIZCTEOSA-N 2 2 328.416 1.845 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000105786450 441269253 /nfs/dbraw/zinc/26/92/53/441269253.db2.gz WABPOTODJKZDNF-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000105786450 441269255 /nfs/dbraw/zinc/26/92/55/441269255.db2.gz WABPOTODJKZDNF-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP CN(C)c1ccc(CNC(=O)NCCCC[NH+]2CCOCC2)c[nH+]1 ZINC000049154845 441347105 /nfs/dbraw/zinc/34/71/05/441347105.db2.gz PHIZAHJYBIKVBE-UHFFFAOYSA-N 2 2 335.452 1.059 20 0 EDADLP C[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)Cn1cc[nH+]c1 ZINC000081797546 441314710 /nfs/dbraw/zinc/31/47/10/441314710.db2.gz ZYANGDJTADVSKL-MRXNPFEDSA-N 2 2 334.464 1.671 20 0 EDADLP CC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000025545600 441348900 /nfs/dbraw/zinc/34/89/00/441348900.db2.gz YLUJBCWTYKKUHE-HOTGVXAUSA-N 2 2 325.497 1.722 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)n1C ZINC000083693302 441368017 /nfs/dbraw/zinc/36/80/17/441368017.db2.gz HDNDKLSCUMHKPR-CYBMUJFWSA-N 2 2 334.424 1.181 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370195 441413743 /nfs/dbraw/zinc/41/37/43/441413743.db2.gz FWKDCGCDNSBDIS-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370195 441413744 /nfs/dbraw/zinc/41/37/44/441413744.db2.gz FWKDCGCDNSBDIS-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP CC[C@H](CCO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074413900 441431936 /nfs/dbraw/zinc/43/19/36/441431936.db2.gz JKKMYMPEDCYIEF-MRXNPFEDSA-N 2 2 340.512 1.397 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCOC1 ZINC000052072457 441434250 /nfs/dbraw/zinc/43/42/50/441434250.db2.gz IDOPAAXIQOVQFD-LJQANCHMSA-N 2 2 345.487 1.689 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCOC1 ZINC000052072457 441434254 /nfs/dbraw/zinc/43/42/54/441434254.db2.gz IDOPAAXIQOVQFD-LJQANCHMSA-N 2 2 345.487 1.689 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(F)c1F ZINC000087355387 441488337 /nfs/dbraw/zinc/48/83/37/441488337.db2.gz TWIIRPGWTWWPQH-UHFFFAOYSA-N 2 2 339.430 1.992 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(F)c1F ZINC000087355387 441488341 /nfs/dbraw/zinc/48/83/41/441488341.db2.gz TWIIRPGWTWWPQH-UHFFFAOYSA-N 2 2 339.430 1.992 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)Cc2cccs2)CC1 ZINC000053100260 441498096 /nfs/dbraw/zinc/49/80/96/441498096.db2.gz NELBOQQSBAPSBJ-UHFFFAOYSA-N 2 2 339.505 1.797 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CCOC)Cc2cccs2)CC1 ZINC000053100260 441498102 /nfs/dbraw/zinc/49/81/02/441498102.db2.gz NELBOQQSBAPSBJ-UHFFFAOYSA-N 2 2 339.505 1.797 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000052519844 441456525 /nfs/dbraw/zinc/45/65/25/441456525.db2.gz RYHYZXYYDFKLBX-HOTGVXAUSA-N 2 2 327.432 1.903 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000052519844 441456528 /nfs/dbraw/zinc/45/65/28/441456528.db2.gz RYHYZXYYDFKLBX-HOTGVXAUSA-N 2 2 327.432 1.903 20 0 EDADLP C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000108547581 441463116 /nfs/dbraw/zinc/46/31/16/441463116.db2.gz PSGPEFZELGOAOY-MRXNPFEDSA-N 2 2 331.464 1.823 20 0 EDADLP C[N@H+]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000108547581 441463117 /nfs/dbraw/zinc/46/31/17/441463117.db2.gz PSGPEFZELGOAOY-MRXNPFEDSA-N 2 2 331.464 1.823 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000108556008 441463781 /nfs/dbraw/zinc/46/37/81/441463781.db2.gz LEQWUUVBUJAQGU-QGZVFWFLSA-N 2 2 343.475 1.834 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000108556008 441463786 /nfs/dbraw/zinc/46/37/86/441463786.db2.gz LEQWUUVBUJAQGU-QGZVFWFLSA-N 2 2 343.475 1.834 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000053450061 441523876 /nfs/dbraw/zinc/52/38/76/441523876.db2.gz DJCWOEALRQMXMP-UHFFFAOYSA-N 2 2 329.404 1.110 20 0 EDADLP C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000089932517 441597898 /nfs/dbraw/zinc/59/78/98/441597898.db2.gz MLNFZILLCYRHLM-HZPDHXFCSA-N 2 2 335.448 1.017 20 0 EDADLP C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000089932517 441597901 /nfs/dbraw/zinc/59/79/01/441597901.db2.gz MLNFZILLCYRHLM-HZPDHXFCSA-N 2 2 335.448 1.017 20 0 EDADLP CN1CC[NH+]([C@@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)c2ccccc2)CC1 ZINC000113454724 441609868 /nfs/dbraw/zinc/60/98/68/441609868.db2.gz DSDFDUOTDSLDPQ-IEBWSBKVSA-N 2 2 344.503 1.385 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000090046921 441617309 /nfs/dbraw/zinc/61/73/09/441617309.db2.gz KYGOEUZWKVMKAH-CABCVRRESA-N 2 2 330.436 1.424 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076300421 441626073 /nfs/dbraw/zinc/62/60/73/441626073.db2.gz ULFSGBNLRJAAOQ-GFCCVEGCSA-N 2 2 345.447 1.667 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000076300421 441626076 /nfs/dbraw/zinc/62/60/76/441626076.db2.gz ULFSGBNLRJAAOQ-GFCCVEGCSA-N 2 2 345.447 1.667 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000114198268 441640300 /nfs/dbraw/zinc/64/03/00/441640300.db2.gz TXUDGQOJJCLXPU-HNNXBMFYSA-N 2 2 332.448 1.835 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C)c1 ZINC000114198268 441640303 /nfs/dbraw/zinc/64/03/03/441640303.db2.gz TXUDGQOJJCLXPU-HNNXBMFYSA-N 2 2 332.448 1.835 20 0 EDADLP COc1ccccc1C[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000091554982 441713430 /nfs/dbraw/zinc/71/34/30/441713430.db2.gz MJGAHUWOBDEBLX-QGZVFWFLSA-N 2 2 333.476 1.534 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000173482182 441766225 /nfs/dbraw/zinc/76/62/25/441766225.db2.gz LHYDJJNDPPTXHB-RHSMWYFYSA-N 2 2 325.497 1.722 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000173482182 441766230 /nfs/dbraw/zinc/76/62/30/441766230.db2.gz LHYDJJNDPPTXHB-RHSMWYFYSA-N 2 2 325.497 1.722 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173367781 441727431 /nfs/dbraw/zinc/72/74/31/441727431.db2.gz IFBOLNWLNJRISO-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000173367781 441727435 /nfs/dbraw/zinc/72/74/35/441727435.db2.gz IFBOLNWLNJRISO-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)[C@H]1C ZINC000378565373 447442173 /nfs/dbraw/zinc/44/21/73/447442173.db2.gz JKYLGSSFTMMFOX-OWSLCNJRSA-N 2 2 337.508 1.724 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000115784074 441776725 /nfs/dbraw/zinc/77/67/25/441776725.db2.gz UWQJGGDHDDVPJD-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000115784074 441776734 /nfs/dbraw/zinc/77/67/34/441776734.db2.gz UWQJGGDHDDVPJD-OAHLLOKOSA-N 2 2 326.485 1.080 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000173645291 441812722 /nfs/dbraw/zinc/81/27/22/441812722.db2.gz ILQOJMFFMVJAEG-HZPDHXFCSA-N 2 2 333.476 1.953 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000173912876 441860911 /nfs/dbraw/zinc/86/09/11/441860911.db2.gz IQHOJSHQPSONFI-QGZVFWFLSA-N 2 2 348.491 1.197 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000173912876 441860916 /nfs/dbraw/zinc/86/09/16/441860916.db2.gz IQHOJSHQPSONFI-QGZVFWFLSA-N 2 2 348.491 1.197 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000173912876 441860918 /nfs/dbraw/zinc/86/09/18/441860918.db2.gz IQHOJSHQPSONFI-QGZVFWFLSA-N 2 2 348.491 1.197 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000173912876 441860921 /nfs/dbraw/zinc/86/09/21/441860921.db2.gz IQHOJSHQPSONFI-QGZVFWFLSA-N 2 2 348.491 1.197 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000140291316 441836214 /nfs/dbraw/zinc/83/62/14/441836214.db2.gz KMLMNZCBCXBDCS-UHFFFAOYSA-N 2 2 345.447 1.287 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000140368184 441836988 /nfs/dbraw/zinc/83/69/88/441836988.db2.gz VLUGVYUNKWDNRU-UHFFFAOYSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000122171015 441837051 /nfs/dbraw/zinc/83/70/51/441837051.db2.gz KSKRTQKTYZWGGS-KRWDZBQOSA-N 2 2 344.503 1.187 20 0 EDADLP Cc1n[nH]cc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000093105041 441856770 /nfs/dbraw/zinc/85/67/70/441856770.db2.gz JZDXIVDVRMAYJC-UHFFFAOYSA-N 2 2 327.476 1.968 20 0 EDADLP Cc1n[nH]cc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000093105041 441856779 /nfs/dbraw/zinc/85/67/79/441856779.db2.gz JZDXIVDVRMAYJC-UHFFFAOYSA-N 2 2 327.476 1.968 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC000123856434 441902047 /nfs/dbraw/zinc/90/20/47/441902047.db2.gz RUHPNZRVCHZTKF-FQEVSTJZSA-N 2 2 345.487 1.486 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC000123856434 441902055 /nfs/dbraw/zinc/90/20/55/441902055.db2.gz RUHPNZRVCHZTKF-FQEVSTJZSA-N 2 2 345.487 1.486 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCO1 ZINC000174224556 441904776 /nfs/dbraw/zinc/90/47/76/441904776.db2.gz KFKOXQSZQQKOIU-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCO1 ZINC000174224556 441904779 /nfs/dbraw/zinc/90/47/79/441904779.db2.gz KFKOXQSZQQKOIU-MRXNPFEDSA-N 2 2 338.496 1.225 20 0 EDADLP CCC[NH+]1CCN(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000118992749 441912793 /nfs/dbraw/zinc/91/27/93/441912793.db2.gz HDBIXJJWEGVSBX-UHFFFAOYSA-N 2 2 347.463 1.786 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000119041751 441913164 /nfs/dbraw/zinc/91/31/64/441913164.db2.gz RJUKUJOCOOFSOP-UHFFFAOYSA-N 2 2 333.436 1.442 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123324164 441883376 /nfs/dbraw/zinc/88/33/76/441883376.db2.gz YZPZRJLGIKSGMA-CJNGLKHVSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123324164 441883381 /nfs/dbraw/zinc/88/33/81/441883381.db2.gz YZPZRJLGIKSGMA-CJNGLKHVSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123324164 441883384 /nfs/dbraw/zinc/88/33/84/441883384.db2.gz YZPZRJLGIKSGMA-CJNGLKHVSA-N 2 2 333.432 1.826 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123324164 441883388 /nfs/dbraw/zinc/88/33/88/441883388.db2.gz YZPZRJLGIKSGMA-CJNGLKHVSA-N 2 2 333.432 1.826 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000124716268 441947002 /nfs/dbraw/zinc/94/70/02/441947002.db2.gz SCLPBIUQMQJYOK-GOSISDBHSA-N 2 2 348.466 1.866 20 0 EDADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000124716268 441947005 /nfs/dbraw/zinc/94/70/05/441947005.db2.gz SCLPBIUQMQJYOK-GOSISDBHSA-N 2 2 348.466 1.866 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000069505444 441955284 /nfs/dbraw/zinc/95/52/84/441955284.db2.gz CNZRWCZZEPDELC-SFHVURJKSA-N 2 2 342.443 1.772 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000069505444 441955286 /nfs/dbraw/zinc/95/52/86/441955286.db2.gz CNZRWCZZEPDELC-SFHVURJKSA-N 2 2 342.443 1.772 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)sc2n1 ZINC000150836599 441959707 /nfs/dbraw/zinc/95/97/07/441959707.db2.gz XXBGAJBRXVEOMY-ZDUSSCGKSA-N 2 2 333.461 1.377 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)sc2n1 ZINC000150836599 441959708 /nfs/dbraw/zinc/95/97/08/441959708.db2.gz XXBGAJBRXVEOMY-ZDUSSCGKSA-N 2 2 333.461 1.377 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000125324814 442010072 /nfs/dbraw/zinc/01/00/72/442010072.db2.gz VJJPZBOKNBVRIQ-BBRMVZONSA-N 2 2 329.366 1.917 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000125324814 442010078 /nfs/dbraw/zinc/01/00/78/442010078.db2.gz VJJPZBOKNBVRIQ-BBRMVZONSA-N 2 2 329.366 1.917 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)NCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000079254090 442031544 /nfs/dbraw/zinc/03/15/44/442031544.db2.gz JRRYOASJESFIHK-MRXNPFEDSA-N 2 2 337.468 1.319 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000162007407 442055641 /nfs/dbraw/zinc/05/56/41/442055641.db2.gz MXHFRHLZFTXCBK-PKOBYXMFSA-N 3 2 347.503 1.970 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000162007407 442055647 /nfs/dbraw/zinc/05/56/47/442055647.db2.gz MXHFRHLZFTXCBK-PKOBYXMFSA-N 3 2 347.503 1.970 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@@H+]1C ZINC000162007407 442055654 /nfs/dbraw/zinc/05/56/54/442055654.db2.gz MXHFRHLZFTXCBK-PKOBYXMFSA-N 2 2 347.503 1.970 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)CC[N@H+]1C ZINC000162007407 442055657 /nfs/dbraw/zinc/05/56/57/442055657.db2.gz MXHFRHLZFTXCBK-PKOBYXMFSA-N 2 2 347.503 1.970 20 0 EDADLP CCn1cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000151765160 442117259 /nfs/dbraw/zinc/11/72/59/442117259.db2.gz USCJTQZZNMRELR-BEFAXECRSA-N 2 2 328.460 1.973 20 0 EDADLP CCn1cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000151765160 442117261 /nfs/dbraw/zinc/11/72/61/442117261.db2.gz USCJTQZZNMRELR-BEFAXECRSA-N 2 2 328.460 1.973 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175771878 442119524 /nfs/dbraw/zinc/11/95/24/442119524.db2.gz GCOFSSGCDNZEIG-HOCLYGCPSA-N 2 2 335.452 1.086 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000152204407 442181467 /nfs/dbraw/zinc/18/14/67/442181467.db2.gz LXLKEUZAZBRTTN-HOTGVXAUSA-N 2 2 349.479 1.513 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000127214697 442181928 /nfs/dbraw/zinc/18/19/28/442181928.db2.gz FEHAZBDNEBSKBF-UHFFFAOYSA-N 2 2 342.281 1.949 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000127214697 442181930 /nfs/dbraw/zinc/18/19/30/442181930.db2.gz FEHAZBDNEBSKBF-UHFFFAOYSA-N 2 2 342.281 1.949 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164694816 442201394 /nfs/dbraw/zinc/20/13/94/442201394.db2.gz GHDYIJWIPXXUKT-MRXNPFEDSA-N 2 2 349.479 1.270 20 0 EDADLP CNc1nc(NC2CC[NH+](CCCOC)CC2)[nH+]c2ccccc21 ZINC000450307044 447447178 /nfs/dbraw/zinc/44/71/78/447447178.db2.gz WKKSOAQPMYRCFP-UHFFFAOYSA-N 2 2 329.448 1.428 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)c[nH+]1 ZINC000121398509 442212675 /nfs/dbraw/zinc/21/26/75/442212675.db2.gz QHBYUCJORHDNTA-KRWDZBQOSA-N 2 2 337.468 1.040 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152475633 442217577 /nfs/dbraw/zinc/21/75/77/442217577.db2.gz HSRTUKBFDATOCY-GOSISDBHSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152475633 442217580 /nfs/dbraw/zinc/21/75/80/442217580.db2.gz HSRTUKBFDATOCY-GOSISDBHSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152475633 442217582 /nfs/dbraw/zinc/21/75/82/442217582.db2.gz HSRTUKBFDATOCY-GOSISDBHSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152475633 442217586 /nfs/dbraw/zinc/21/75/86/442217586.db2.gz HSRTUKBFDATOCY-GOSISDBHSA-N 2 2 333.476 1.723 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000168167558 442223835 /nfs/dbraw/zinc/22/38/35/442223835.db2.gz CYRCBOVQFKABIG-GJZGRUSLSA-N 2 2 337.489 1.722 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000153167217 442265681 /nfs/dbraw/zinc/26/56/81/442265681.db2.gz VBFXXLDMAKUCGO-HZPDHXFCSA-N 2 2 340.431 1.731 20 0 EDADLP CCSc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000177122082 442300897 /nfs/dbraw/zinc/30/08/97/442300897.db2.gz OLECUFYQRWIEEK-UHFFFAOYSA-N 2 2 336.505 1.949 20 0 EDADLP O=C(CC[N@@H+]1CCOC2(CCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000154316762 442331978 /nfs/dbraw/zinc/33/19/78/442331978.db2.gz WNXDCLLJBPDZAK-UHFFFAOYSA-N 2 2 344.459 1.375 20 0 EDADLP O=C(CC[N@H+]1CCOC2(CCC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000154316762 442331981 /nfs/dbraw/zinc/33/19/81/442331981.db2.gz WNXDCLLJBPDZAK-UHFFFAOYSA-N 2 2 344.459 1.375 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccccc1 ZINC000171095224 442311250 /nfs/dbraw/zinc/31/12/50/442311250.db2.gz MPZVHCAGFPHKBX-QGZVFWFLSA-N 2 2 348.491 1.699 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)c1ccccc1 ZINC000171095224 442311254 /nfs/dbraw/zinc/31/12/54/442311254.db2.gz MPZVHCAGFPHKBX-QGZVFWFLSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000153993206 442315236 /nfs/dbraw/zinc/31/52/36/442315236.db2.gz XKDSVVZYEMYASW-CALCHBBNSA-N 2 2 344.503 1.776 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000153993206 442315239 /nfs/dbraw/zinc/31/52/39/442315239.db2.gz XKDSVVZYEMYASW-CALCHBBNSA-N 2 2 344.503 1.776 20 0 EDADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154035716 442318344 /nfs/dbraw/zinc/31/83/44/442318344.db2.gz SRTVKVIBUNTMOU-BZSNNMDCSA-N 2 2 338.540 1.638 20 0 EDADLP CO[C@@]1(C)C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(C)C ZINC000155163638 442379310 /nfs/dbraw/zinc/37/93/10/442379310.db2.gz WYYPBNXEAVVROP-MJGOQNOKSA-N 2 2 339.524 1.576 20 0 EDADLP CO[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(C)C ZINC000155163638 442379312 /nfs/dbraw/zinc/37/93/12/442379312.db2.gz WYYPBNXEAVVROP-MJGOQNOKSA-N 2 2 339.524 1.576 20 0 EDADLP c1cc2c(cc1C[NH+]1CCN(CC[NH+]3CCCC3)CC1)OCCO2 ZINC000171846275 442384280 /nfs/dbraw/zinc/38/42/80/442384280.db2.gz HLUXFFWNTCHCAG-UHFFFAOYSA-N 2 2 331.460 1.671 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000177817122 442388284 /nfs/dbraw/zinc/38/82/84/442388284.db2.gz FCRUCYKVTSYMEX-CVEARBPZSA-N 2 2 349.479 1.586 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000177817122 442388286 /nfs/dbraw/zinc/38/82/86/442388286.db2.gz FCRUCYKVTSYMEX-CVEARBPZSA-N 2 2 349.479 1.586 20 0 EDADLP CC[N@H+](C)CCNC(=O)C[NH+]1CCc2cc(OC)c(OC)cc2C1 ZINC000155349414 442389507 /nfs/dbraw/zinc/38/95/07/442389507.db2.gz LGUDFZWQSOIXJV-UHFFFAOYSA-N 2 2 335.448 1.130 20 0 EDADLP CC[N@@H+](C)CCNC(=O)C[NH+]1CCc2cc(OC)c(OC)cc2C1 ZINC000155349414 442389510 /nfs/dbraw/zinc/38/95/10/442389510.db2.gz LGUDFZWQSOIXJV-UHFFFAOYSA-N 2 2 335.448 1.130 20 0 EDADLP CC[NH+](C)CCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000155349414 442389513 /nfs/dbraw/zinc/38/95/13/442389513.db2.gz LGUDFZWQSOIXJV-UHFFFAOYSA-N 2 2 335.448 1.130 20 0 EDADLP CC[NH+](C)CCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000155349414 442389515 /nfs/dbraw/zinc/38/95/15/442389515.db2.gz LGUDFZWQSOIXJV-UHFFFAOYSA-N 2 2 335.448 1.130 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177958735 442398038 /nfs/dbraw/zinc/39/80/38/442398038.db2.gz BSPSSTBZMKDADE-UHFFFAOYSA-N 2 2 345.447 1.634 20 0 EDADLP C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000171595843 442361370 /nfs/dbraw/zinc/36/13/70/442361370.db2.gz ANMLXCBCBCPXJK-CVEARBPZSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000172182483 442420004 /nfs/dbraw/zinc/42/00/04/442420004.db2.gz RCTLLZBUCCFTNV-OAHLLOKOSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)CC[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(C)(C)C ZINC000172182483 442420007 /nfs/dbraw/zinc/42/00/07/442420007.db2.gz RCTLLZBUCCFTNV-OAHLLOKOSA-N 2 2 342.528 1.763 20 0 EDADLP C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000134511140 442489405 /nfs/dbraw/zinc/48/94/05/442489405.db2.gz NMBHBRDIOMOOHD-QGZVFWFLSA-N 2 2 344.503 1.187 20 0 EDADLP C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000134511140 442489409 /nfs/dbraw/zinc/48/94/09/442489409.db2.gz NMBHBRDIOMOOHD-QGZVFWFLSA-N 2 2 344.503 1.187 20 0 EDADLP C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000134511140 442489413 /nfs/dbraw/zinc/48/94/13/442489413.db2.gz NMBHBRDIOMOOHD-QGZVFWFLSA-N 2 2 344.503 1.187 20 0 EDADLP C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000134511140 442489415 /nfs/dbraw/zinc/48/94/15/442489415.db2.gz NMBHBRDIOMOOHD-QGZVFWFLSA-N 2 2 344.503 1.187 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H](C)C[NH+]3CCOCC3)cn21 ZINC000172587276 442496377 /nfs/dbraw/zinc/49/63/77/442496377.db2.gz VJEPRNOTKXJIFU-CQSZACIVSA-N 2 2 345.447 1.410 20 0 EDADLP Cc1cc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc[nH+]1 ZINC000179812930 442507642 /nfs/dbraw/zinc/50/76/42/442507642.db2.gz MLWCSTRJKWFCFL-UHFFFAOYSA-N 2 2 331.464 1.881 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000134665486 442508108 /nfs/dbraw/zinc/50/81/08/442508108.db2.gz BIPUWSDYONBXAU-UHFFFAOYSA-N 2 2 332.448 1.897 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000156450494 442481597 /nfs/dbraw/zinc/48/15/97/442481597.db2.gz XWTKDTFNDGRJDZ-QWRGUYRKSA-N 2 2 347.341 1.154 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000156450494 442481601 /nfs/dbraw/zinc/48/16/01/442481601.db2.gz XWTKDTFNDGRJDZ-QWRGUYRKSA-N 2 2 347.341 1.154 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](CO)C(C)(C)C ZINC000134432019 442482045 /nfs/dbraw/zinc/48/20/45/442482045.db2.gz VCZOVUSDEVQCKE-MRXNPFEDSA-N 2 2 348.491 1.459 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](CO)C(C)(C)C ZINC000134432019 442482051 /nfs/dbraw/zinc/48/20/51/442482051.db2.gz VCZOVUSDEVQCKE-MRXNPFEDSA-N 2 2 348.491 1.459 20 0 EDADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000178781950 442483675 /nfs/dbraw/zinc/48/36/75/442483675.db2.gz VTZXFROTDQRVNA-RBUKOAKNSA-N 2 2 342.487 1.015 20 0 EDADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000178781950 442483683 /nfs/dbraw/zinc/48/36/83/442483683.db2.gz VTZXFROTDQRVNA-RBUKOAKNSA-N 2 2 342.487 1.015 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186529914 442554273 /nfs/dbraw/zinc/55/42/73/442554273.db2.gz DTPFLBWHCZMNNP-INIZCTEOSA-N 2 2 331.464 1.788 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186529914 442554276 /nfs/dbraw/zinc/55/42/76/442554276.db2.gz DTPFLBWHCZMNNP-INIZCTEOSA-N 2 2 331.464 1.788 20 0 EDADLP C[C@@H](CNC(=O)N1CCCN(c2cccc[nH+]2)CC1)[N@H+](C)C1CC1 ZINC000186531112 442555178 /nfs/dbraw/zinc/55/51/78/442555178.db2.gz RMELVRDFYPMSHE-HNNXBMFYSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@@H](CNC(=O)N1CCCN(c2cccc[nH+]2)CC1)[N@@H+](C)C1CC1 ZINC000186531112 442555180 /nfs/dbraw/zinc/55/51/80/442555180.db2.gz RMELVRDFYPMSHE-HNNXBMFYSA-N 2 2 331.464 1.786 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CC1 ZINC000178889508 442515623 /nfs/dbraw/zinc/51/56/23/442515623.db2.gz FQYGJYBYLNMXRB-CRCOGDFISA-N 2 2 328.460 1.660 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000178889444 442516024 /nfs/dbraw/zinc/51/60/24/442516024.db2.gz WFYPBOOIAOJMGG-QFBILLFUSA-N 2 2 338.455 1.857 20 0 EDADLP CC[C@H](C)OCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000156783642 442520210 /nfs/dbraw/zinc/52/02/10/442520210.db2.gz BQKZUSQBBPRMMV-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000180006211 442528101 /nfs/dbraw/zinc/52/81/01/442528101.db2.gz LCBXSELZACAWQR-QGZVFWFLSA-N 2 2 349.523 1.729 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000180006211 442528104 /nfs/dbraw/zinc/52/81/04/442528104.db2.gz LCBXSELZACAWQR-QGZVFWFLSA-N 2 2 349.523 1.729 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000180006211 442528110 /nfs/dbraw/zinc/52/81/10/442528110.db2.gz LCBXSELZACAWQR-QGZVFWFLSA-N 2 2 349.523 1.729 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000180006211 442528115 /nfs/dbraw/zinc/52/81/15/442528115.db2.gz LCBXSELZACAWQR-QGZVFWFLSA-N 2 2 349.523 1.729 20 0 EDADLP CCC(CC)[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000173006877 442582863 /nfs/dbraw/zinc/58/28/63/442582863.db2.gz AQYUXKQBSRYKTD-GOSISDBHSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)CC[N@H+](C)C1CC1 ZINC000186790097 442612373 /nfs/dbraw/zinc/61/23/73/442612373.db2.gz WJIZCRKUMUJOEX-INIZCTEOSA-N 2 2 345.491 1.145 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)CC[N@@H+](C)C1CC1 ZINC000186790097 442612378 /nfs/dbraw/zinc/61/23/78/442612378.db2.gz WJIZCRKUMUJOEX-INIZCTEOSA-N 2 2 345.491 1.145 20 0 EDADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCC(CO)CC1 ZINC000179290932 442614202 /nfs/dbraw/zinc/61/42/02/442614202.db2.gz ZXVNPQKQKAMSAE-UHFFFAOYSA-N 2 2 340.512 1.205 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000192520706 442657000 /nfs/dbraw/zinc/65/70/00/442657000.db2.gz FTQLAZROZJTPPP-IBGZPJMESA-N 2 2 342.443 1.810 20 0 EDADLP O=C(C[NH+]1CCN(CC[NH+]2CCCCC2)CC1)NC1CCCCC1 ZINC000157883731 442623313 /nfs/dbraw/zinc/62/33/13/442623313.db2.gz ZMFJMMFCCWCXLJ-UHFFFAOYSA-N 2 2 336.524 1.539 20 0 EDADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181031022 442676130 /nfs/dbraw/zinc/67/61/30/442676130.db2.gz CQBIVINIKMNOEU-QAPCUYQASA-N 2 2 349.450 1.279 20 0 EDADLP C[N@H+](CC(=O)NCC1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286284 442733709 /nfs/dbraw/zinc/73/37/09/442733709.db2.gz OJQQFZGSTIHTGC-LJQANCHMSA-N 2 2 331.460 1.081 20 0 EDADLP C[N@@H+](CC(=O)NCC1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286284 442733712 /nfs/dbraw/zinc/73/37/12/442733712.db2.gz OJQQFZGSTIHTGC-LJQANCHMSA-N 2 2 331.460 1.081 20 0 EDADLP C[NH+](CC(=O)NCC1CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188286284 442733713 /nfs/dbraw/zinc/73/37/13/442733713.db2.gz OJQQFZGSTIHTGC-LJQANCHMSA-N 2 2 331.460 1.081 20 0 EDADLP C[NH+](CC(=O)NCC1CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188286284 442733715 /nfs/dbraw/zinc/73/37/15/442733715.db2.gz OJQQFZGSTIHTGC-LJQANCHMSA-N 2 2 331.460 1.081 20 0 EDADLP CCOC(C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)OCC ZINC000188326665 442739560 /nfs/dbraw/zinc/73/95/60/442739560.db2.gz IHCYLZUMXYEYCX-LJQANCHMSA-N 2 2 336.476 1.954 20 0 EDADLP CCOC(C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)OCC ZINC000188326665 442739561 /nfs/dbraw/zinc/73/95/61/442739561.db2.gz IHCYLZUMXYEYCX-LJQANCHMSA-N 2 2 336.476 1.954 20 0 EDADLP CCOC(C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)OCC ZINC000188326665 442739563 /nfs/dbraw/zinc/73/95/63/442739563.db2.gz IHCYLZUMXYEYCX-LJQANCHMSA-N 2 2 336.476 1.954 20 0 EDADLP CCOC(C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)OCC ZINC000188326665 442739565 /nfs/dbraw/zinc/73/95/65/442739565.db2.gz IHCYLZUMXYEYCX-LJQANCHMSA-N 2 2 336.476 1.954 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1CC(C)(C)O ZINC000188713680 442795235 /nfs/dbraw/zinc/79/52/35/442795235.db2.gz BHZGWZQVCLPOMF-OAHLLOKOSA-N 2 2 342.443 1.790 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1CC(C)(C)O ZINC000188713680 442795239 /nfs/dbraw/zinc/79/52/39/442795239.db2.gz BHZGWZQVCLPOMF-OAHLLOKOSA-N 2 2 342.443 1.790 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193650068 442763583 /nfs/dbraw/zinc/76/35/83/442763583.db2.gz XLYJKCQXSMCKAZ-QXSJWSMHSA-N 2 2 331.460 1.754 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193650068 442763585 /nfs/dbraw/zinc/76/35/85/442763585.db2.gz XLYJKCQXSMCKAZ-QXSJWSMHSA-N 2 2 331.460 1.754 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193650068 442763586 /nfs/dbraw/zinc/76/35/86/442763586.db2.gz XLYJKCQXSMCKAZ-QXSJWSMHSA-N 2 2 331.460 1.754 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193650068 442763588 /nfs/dbraw/zinc/76/35/88/442763588.db2.gz XLYJKCQXSMCKAZ-QXSJWSMHSA-N 2 2 331.460 1.754 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)C[N@@H+]1C1CC1 ZINC000267867970 442773085 /nfs/dbraw/zinc/77/30/85/442773085.db2.gz BZYNBOTWDVFPLP-HUUCEWRRSA-N 2 2 332.448 1.732 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccco3)CC2)C[N@H+]1C1CC1 ZINC000267867970 442773090 /nfs/dbraw/zinc/77/30/90/442773090.db2.gz BZYNBOTWDVFPLP-HUUCEWRRSA-N 2 2 332.448 1.732 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247075064 442833850 /nfs/dbraw/zinc/83/38/50/442833850.db2.gz WSIASBMMOKKPRS-XHSDSOJGSA-N 2 2 339.480 1.345 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247075064 442833853 /nfs/dbraw/zinc/83/38/53/442833853.db2.gz WSIASBMMOKKPRS-XHSDSOJGSA-N 2 2 339.480 1.345 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247075064 442833856 /nfs/dbraw/zinc/83/38/56/442833856.db2.gz WSIASBMMOKKPRS-XHSDSOJGSA-N 2 2 339.480 1.345 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247075064 442833859 /nfs/dbraw/zinc/83/38/59/442833859.db2.gz WSIASBMMOKKPRS-XHSDSOJGSA-N 2 2 339.480 1.345 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+](C)CC[C@H]3CCCC[NH+]3C)C2=O)cn1 ZINC000247249183 442844680 /nfs/dbraw/zinc/84/46/80/442844680.db2.gz DUYSOEINYBBVPH-NVXWUHKLSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+](C)CC[C@H]3CCCC[NH+]3C)C2=O)cn1 ZINC000247249183 442844685 /nfs/dbraw/zinc/84/46/85/442844685.db2.gz DUYSOEINYBBVPH-NVXWUHKLSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+](C)CC[C@H]3CCCC[N@@H+]3C)C2=O)cn1 ZINC000247249183 442844688 /nfs/dbraw/zinc/84/46/88/442844688.db2.gz DUYSOEINYBBVPH-NVXWUHKLSA-N 2 2 333.480 1.722 20 0 EDADLP Cn1cc(N2CCC[C@@H]([NH+](C)CC[C@H]3CCCC[N@H+]3C)C2=O)cn1 ZINC000247249183 442844692 /nfs/dbraw/zinc/84/46/92/442844692.db2.gz DUYSOEINYBBVPH-NVXWUHKLSA-N 2 2 333.480 1.722 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000182900330 442844986 /nfs/dbraw/zinc/84/49/86/442844986.db2.gz QAXPHZLZMBKJKY-MSOLQXFVSA-N 2 2 347.507 1.586 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247375084 442850310 /nfs/dbraw/zinc/85/03/10/442850310.db2.gz OEEXOMISAIHLHN-JYJNAYRXSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000247375084 442850314 /nfs/dbraw/zinc/85/03/14/442850314.db2.gz OEEXOMISAIHLHN-JYJNAYRXSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000268146938 442869208 /nfs/dbraw/zinc/86/92/08/442869208.db2.gz GIEVPDJWMURHPA-PBHICJAKSA-N 2 2 327.432 1.964 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189137980 442884573 /nfs/dbraw/zinc/88/45/73/442884573.db2.gz QANIAUXCDLREID-UHFFFAOYSA-N 2 2 332.835 1.791 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189137980 442884578 /nfs/dbraw/zinc/88/45/78/442884578.db2.gz QANIAUXCDLREID-UHFFFAOYSA-N 2 2 332.835 1.791 20 0 EDADLP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1ccncc1 ZINC000182959266 442854830 /nfs/dbraw/zinc/85/48/30/442854830.db2.gz JNQGNRQQTVBCCH-UHFFFAOYSA-N 2 2 346.475 1.845 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2CC[N@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000249061147 442948940 /nfs/dbraw/zinc/94/89/40/442948940.db2.gz PQDTWLJBOHQFHH-TVFCKZIOSA-N 2 2 325.497 1.281 20 0 EDADLP CC[C@@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000183530965 442938187 /nfs/dbraw/zinc/93/81/87/442938187.db2.gz VZWOHGNPJVZFSE-MAUKXSAKSA-N 2 2 337.508 1.866 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000265926706 442972218 /nfs/dbraw/zinc/97/22/18/442972218.db2.gz DVGNOGDSFIAQLI-INIZCTEOSA-N 2 2 343.431 1.929 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000265926706 442972221 /nfs/dbraw/zinc/97/22/21/442972221.db2.gz DVGNOGDSFIAQLI-INIZCTEOSA-N 2 2 343.431 1.929 20 0 EDADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCCOc2cccc(C)c2)CC1 ZINC000266107358 443019499 /nfs/dbraw/zinc/01/94/99/443019499.db2.gz LYBNXRFIRMPWEQ-INIZCTEOSA-N 2 2 333.476 1.952 20 0 EDADLP CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1C ZINC000251994295 443021522 /nfs/dbraw/zinc/02/15/22/443021522.db2.gz WEGQKTXTSMUSSZ-IXDOHACOSA-N 2 2 346.475 1.476 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000296461014 318699539 /nfs/dbraw/zinc/69/95/39/318699539.db2.gz OUKMORMZOJNGQN-OAHLLOKOSA-N 2 2 349.475 1.736 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249765336 443003933 /nfs/dbraw/zinc/00/39/33/443003933.db2.gz IMBSZMYCUCRJRM-YYIAUSFCSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249765336 443003935 /nfs/dbraw/zinc/00/39/35/443003935.db2.gz IMBSZMYCUCRJRM-YYIAUSFCSA-N 2 2 340.512 1.373 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000253357677 443050387 /nfs/dbraw/zinc/05/03/87/443050387.db2.gz DVGISOYDUZIWBR-ROUUACIJSA-N 2 2 333.476 1.762 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000253357677 443050388 /nfs/dbraw/zinc/05/03/88/443050388.db2.gz DVGISOYDUZIWBR-ROUUACIJSA-N 2 2 333.476 1.762 20 0 EDADLP Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)[nH+]1 ZINC000219862343 443061246 /nfs/dbraw/zinc/06/12/46/443061246.db2.gz ZNRIBZDBEQFBFT-KRWDZBQOSA-N 2 2 327.428 1.952 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)OCCO2 ZINC000268872456 443133896 /nfs/dbraw/zinc/13/38/96/443133896.db2.gz GKRRJLDDWCHZJY-DZGCQCFKSA-N 2 2 333.432 1.448 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc2c(c1)OCCO2 ZINC000268872456 443133899 /nfs/dbraw/zinc/13/38/99/443133899.db2.gz GKRRJLDDWCHZJY-DZGCQCFKSA-N 2 2 333.432 1.448 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000298821375 318851674 /nfs/dbraw/zinc/85/16/74/318851674.db2.gz AYZRQHPINYTYST-AWEZNQCLSA-N 2 2 341.415 1.217 20 0 EDADLP C[NH2+]CCCC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000237189262 443163302 /nfs/dbraw/zinc/16/33/02/443163302.db2.gz RHKMKWRZVITBKO-UHFFFAOYSA-N 2 2 325.210 1.713 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CC[C@H]([NH3+])c2ccccc2)no1 ZINC000237061611 443158246 /nfs/dbraw/zinc/15/82/46/443158246.db2.gz KBEKCTFIEQABAG-AWEZNQCLSA-N 2 2 345.447 1.963 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCN(C)C(=O)C3)c2cc1C ZINC000191084042 443238208 /nfs/dbraw/zinc/23/82/08/443238208.db2.gz RBXJACCPYWTSAN-HNNXBMFYSA-N 2 2 330.432 1.178 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCN(C)C(=O)C3)c2cc1C ZINC000191084042 443238209 /nfs/dbraw/zinc/23/82/09/443238209.db2.gz RBXJACCPYWTSAN-HNNXBMFYSA-N 2 2 330.432 1.178 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000245584408 443238235 /nfs/dbraw/zinc/23/82/35/443238235.db2.gz JOJCLZMRMJFOOZ-GDBMZVCRSA-N 2 2 330.436 1.158 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000245584408 443238237 /nfs/dbraw/zinc/23/82/37/443238237.db2.gz JOJCLZMRMJFOOZ-GDBMZVCRSA-N 2 2 330.436 1.158 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000269233419 443243724 /nfs/dbraw/zinc/24/37/24/443243724.db2.gz KYDMKGRGMGGQGH-KRWDZBQOSA-N 2 2 328.416 1.316 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000387577691 319131833 /nfs/dbraw/zinc/13/18/33/319131833.db2.gz OXAHWKXYPBREQR-JKSUJKDBSA-N 2 2 327.513 1.874 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000397312088 319134136 /nfs/dbraw/zinc/13/41/36/319134136.db2.gz JLOKUKSOBXYCKH-IIAWOOMASA-N 2 2 339.505 1.742 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000397312088 319134137 /nfs/dbraw/zinc/13/41/37/319134137.db2.gz JLOKUKSOBXYCKH-IIAWOOMASA-N 2 2 339.505 1.742 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397590106 319135791 /nfs/dbraw/zinc/13/57/91/319135791.db2.gz LVZJNQMPAOSOIU-HKUYNNGSSA-N 3 2 347.503 1.370 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CCN1CC(F)F ZINC000245752334 443248534 /nfs/dbraw/zinc/24/85/34/443248534.db2.gz OGUPOMZEPMRGRF-HUUCEWRRSA-N 2 2 346.466 1.200 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CCN1CC(F)F ZINC000245752334 443248540 /nfs/dbraw/zinc/24/85/40/443248540.db2.gz OGUPOMZEPMRGRF-HUUCEWRRSA-N 2 2 346.466 1.200 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CS1 ZINC000413685014 319287049 /nfs/dbraw/zinc/28/70/49/319287049.db2.gz UXROVECHNHTEAL-ZNMIVQPWSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CS1 ZINC000413685014 319287050 /nfs/dbraw/zinc/28/70/50/319287050.db2.gz UXROVECHNHTEAL-ZNMIVQPWSA-N 2 2 340.537 1.690 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccn(C)n1 ZINC000414079148 319315466 /nfs/dbraw/zinc/31/54/66/319315466.db2.gz SLRBJEAVPWRWGJ-INIZCTEOSA-N 2 2 344.459 1.982 20 0 EDADLP COCCNC(=O)C1([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000414213834 319320888 /nfs/dbraw/zinc/32/08/88/319320888.db2.gz RQZNGPSOISKBSM-AWEZNQCLSA-N 2 2 328.416 1.818 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414375491 319325071 /nfs/dbraw/zinc/32/50/71/319325071.db2.gz FLXIQEBLBFQFRX-IINYFYTJSA-N 2 2 343.880 1.560 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414375491 319325073 /nfs/dbraw/zinc/32/50/73/319325073.db2.gz FLXIQEBLBFQFRX-IINYFYTJSA-N 2 2 343.880 1.560 20 0 EDADLP C[C@@H](c1cccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1)[NH+]1CCOCC1 ZINC000269268342 443259443 /nfs/dbraw/zinc/25/94/43/443259443.db2.gz QSBLZKJDAKCGGG-YJBOKZPZSA-N 2 2 347.459 1.787 20 0 EDADLP C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000264394919 443275818 /nfs/dbraw/zinc/27/58/18/443275818.db2.gz GMHKEXITCKJXDB-HKUYNNGSSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000264394919 443275822 /nfs/dbraw/zinc/27/58/22/443275822.db2.gz GMHKEXITCKJXDB-HKUYNNGSSA-N 2 2 345.487 1.566 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000264475594 443305148 /nfs/dbraw/zinc/30/51/48/443305148.db2.gz YUAKTWZHVQODLC-QGZVFWFLSA-N 2 2 333.432 1.178 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000264475594 443305152 /nfs/dbraw/zinc/30/51/52/443305152.db2.gz YUAKTWZHVQODLC-QGZVFWFLSA-N 2 2 333.432 1.178 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3cc(F)ccc3F)C2)CC1 ZINC000264490794 443307933 /nfs/dbraw/zinc/30/79/33/443307933.db2.gz ZZZLKHHOBKWUPP-CRAIPNDOSA-N 2 2 339.430 1.710 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)c3cc(F)ccc3F)C2)CC1 ZINC000264490794 443307936 /nfs/dbraw/zinc/30/79/36/443307936.db2.gz ZZZLKHHOBKWUPP-CRAIPNDOSA-N 2 2 339.430 1.710 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1 ZINC000416888089 319469522 /nfs/dbraw/zinc/46/95/22/319469522.db2.gz PPEWXQDLKTTZIH-QZTJIDSGSA-N 2 2 346.475 1.372 20 0 EDADLP Cc1nc(F)ccc1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000278440591 443332251 /nfs/dbraw/zinc/33/22/51/443332251.db2.gz ULJBOIPDWNTOBD-UHFFFAOYSA-N 2 2 344.438 1.621 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418792725 319512185 /nfs/dbraw/zinc/51/21/85/319512185.db2.gz PCWXCCXKRFENBK-VYDXJSESSA-N 2 2 331.464 1.597 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000419180654 319568145 /nfs/dbraw/zinc/56/81/45/319568145.db2.gz AFEQCAGVFUHZLP-KBPBESRZSA-N 2 2 343.431 1.021 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000267307044 443413042 /nfs/dbraw/zinc/41/30/42/443413042.db2.gz LOYKKHGEFBEFHB-AWEZNQCLSA-N 2 2 333.411 1.842 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000267307044 443413047 /nfs/dbraw/zinc/41/30/47/443413047.db2.gz LOYKKHGEFBEFHB-AWEZNQCLSA-N 2 2 333.411 1.842 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000282948013 443477679 /nfs/dbraw/zinc/47/76/79/443477679.db2.gz NDEDJBVLKQTOEX-HUUCEWRRSA-N 2 2 325.840 1.390 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000282948013 443477681 /nfs/dbraw/zinc/47/76/81/443477681.db2.gz NDEDJBVLKQTOEX-HUUCEWRRSA-N 2 2 325.840 1.390 20 0 EDADLP COc1cccc([C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)c1 ZINC000283039737 443504650 /nfs/dbraw/zinc/50/46/50/443504650.db2.gz IGFSATCHSSRNDI-SFHVURJKSA-N 2 2 347.459 1.233 20 0 EDADLP COc1cccc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)c1 ZINC000283039737 443504652 /nfs/dbraw/zinc/50/46/52/443504652.db2.gz IGFSATCHSSRNDI-SFHVURJKSA-N 2 2 347.459 1.233 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)c[nH+]2)CCO1 ZINC000273023099 443521616 /nfs/dbraw/zinc/52/16/16/443521616.db2.gz XVVVUNBZCAKYQM-KSSFIOAISA-N 2 2 332.448 1.455 20 0 EDADLP C[C@H](C[NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000423749281 319810324 /nfs/dbraw/zinc/81/03/24/319810324.db2.gz RLALWAIIZHVDKU-GFCCVEGCSA-N 2 2 335.839 1.227 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000265208813 443570370 /nfs/dbraw/zinc/57/03/70/443570370.db2.gz VGKZTYGPWCKVPN-HOTGVXAUSA-N 2 2 333.480 1.810 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272303319 443585739 /nfs/dbraw/zinc/58/57/39/443585739.db2.gz JJCVDISHICYHCO-MRXNPFEDSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272303319 443585742 /nfs/dbraw/zinc/58/57/42/443585742.db2.gz JJCVDISHICYHCO-MRXNPFEDSA-N 2 2 343.431 1.234 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000267819790 443588476 /nfs/dbraw/zinc/58/84/76/443588476.db2.gz OLEYOOYZUITQEK-SFHVURJKSA-N 2 2 347.459 1.060 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000267819790 443588478 /nfs/dbraw/zinc/58/84/78/443588478.db2.gz OLEYOOYZUITQEK-SFHVURJKSA-N 2 2 347.459 1.060 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000279523750 443600785 /nfs/dbraw/zinc/60/07/85/443600785.db2.gz SYEWADTVMBOACN-DLBZAZTESA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000279523750 443600787 /nfs/dbraw/zinc/60/07/87/443600787.db2.gz SYEWADTVMBOACN-DLBZAZTESA-N 2 2 342.443 1.342 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(CC2CC2)C[C@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000435266621 320014645 /nfs/dbraw/zinc/01/46/45/320014645.db2.gz HLWWPPMVPKVZTL-DJIMGWMZSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(CC2CC2)C[C@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000435266621 320014648 /nfs/dbraw/zinc/01/46/48/320014648.db2.gz HLWWPPMVPKVZTL-DJIMGWMZSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)CCC[NH+]1C ZINC000435266621 320014651 /nfs/dbraw/zinc/01/46/51/320014651.db2.gz HLWWPPMVPKVZTL-DJIMGWMZSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000435266621 320014653 /nfs/dbraw/zinc/01/46/53/320014653.db2.gz HLWWPPMVPKVZTL-DJIMGWMZSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H]1[NH2+]CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H]1C ZINC000436068775 320018474 /nfs/dbraw/zinc/01/84/74/320018474.db2.gz WVWRKMIKAXYSCA-HUUCEWRRSA-N 2 2 336.505 1.075 20 0 EDADLP COC(=O)Cn1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)nn1 ZINC000449287992 320181980 /nfs/dbraw/zinc/18/19/80/320181980.db2.gz LVQCBKYSHZZAIF-UHFFFAOYSA-N 2 2 345.403 1.198 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449389454 320186957 /nfs/dbraw/zinc/18/69/57/320186957.db2.gz DABLKZKVWYUXNE-DOTOQJQBSA-N 2 2 349.475 1.849 20 0 EDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000449389454 320186959 /nfs/dbraw/zinc/18/69/59/320186959.db2.gz DABLKZKVWYUXNE-DOTOQJQBSA-N 2 2 349.475 1.849 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000449396956 320188625 /nfs/dbraw/zinc/18/86/25/320188625.db2.gz NUDCJHDXPWWBSC-RDJZCZTQSA-N 2 2 349.475 1.849 20 0 EDADLP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000449396956 320188628 /nfs/dbraw/zinc/18/86/28/320188628.db2.gz NUDCJHDXPWWBSC-RDJZCZTQSA-N 2 2 349.475 1.849 20 0 EDADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccn(C)c3)C2)CC1 ZINC000449491640 320191920 /nfs/dbraw/zinc/19/19/20/320191920.db2.gz AFHRAGYDOIILRU-GOSISDBHSA-N 2 2 332.492 1.791 20 0 EDADLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccn(C)c3)C2)CC1 ZINC000449491640 320191922 /nfs/dbraw/zinc/19/19/22/320191922.db2.gz AFHRAGYDOIILRU-GOSISDBHSA-N 2 2 332.492 1.791 20 0 EDADLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccn(C)c3)C2)CC1 ZINC000449491640 320191924 /nfs/dbraw/zinc/19/19/24/320191924.db2.gz AFHRAGYDOIILRU-GOSISDBHSA-N 2 2 332.492 1.791 20 0 EDADLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccn(C)c3)C2)CC1 ZINC000449491640 320191925 /nfs/dbraw/zinc/19/19/25/320191925.db2.gz AFHRAGYDOIILRU-GOSISDBHSA-N 2 2 332.492 1.791 20 0 EDADLP COC[C@@]1(C)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000451200574 320229167 /nfs/dbraw/zinc/22/91/67/320229167.db2.gz HXLFPEJGUZAEJC-SFHVURJKSA-N 2 2 335.448 1.282 20 0 EDADLP COC[C@@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000451200574 320229170 /nfs/dbraw/zinc/22/91/70/320229170.db2.gz HXLFPEJGUZAEJC-SFHVURJKSA-N 2 2 335.448 1.282 20 0 EDADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453301144 320262706 /nfs/dbraw/zinc/26/27/06/320262706.db2.gz WOFPZTYJRGPGAR-QFHJOOASSA-N 2 2 333.476 1.933 20 0 EDADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453301144 320262708 /nfs/dbraw/zinc/26/27/08/320262708.db2.gz WOFPZTYJRGPGAR-QFHJOOASSA-N 2 2 333.476 1.933 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000456526761 320309282 /nfs/dbraw/zinc/30/92/82/320309282.db2.gz IKAVOCJHMPVASR-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000456526761 320309283 /nfs/dbraw/zinc/30/92/83/320309283.db2.gz IKAVOCJHMPVASR-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000459179410 320344576 /nfs/dbraw/zinc/34/45/76/320344576.db2.gz NSLBASKMSNWVHZ-UHFFFAOYSA-N 2 2 335.477 1.798 20 0 EDADLP CC(C)O[C@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459179688 320344680 /nfs/dbraw/zinc/34/46/80/320344680.db2.gz MFBOORBHPWDTRR-WOVMCDHWSA-N 2 2 340.512 1.610 20 0 EDADLP CC(C)O[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000459179688 320344681 /nfs/dbraw/zinc/34/46/81/320344681.db2.gz MFBOORBHPWDTRR-WOVMCDHWSA-N 2 2 340.512 1.610 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000291006803 443731653 /nfs/dbraw/zinc/73/16/53/443731653.db2.gz DERCSGXEQUOSQW-SFHVURJKSA-N 2 2 334.460 1.597 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000276547897 443743060 /nfs/dbraw/zinc/74/30/60/443743060.db2.gz HAKRRFOQGOSQBB-RTQGNFRKSA-N 2 2 340.427 1.422 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000276547897 443743062 /nfs/dbraw/zinc/74/30/62/443743062.db2.gz HAKRRFOQGOSQBB-RTQGNFRKSA-N 2 2 340.427 1.422 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H](OC)C3)CC2)CC1 ZINC000616381239 450407184 /nfs/dbraw/zinc/40/71/84/450407184.db2.gz MAJKWPXUWKJYAL-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@H](OC)C3)CC2)CC1 ZINC000616381239 450407187 /nfs/dbraw/zinc/40/71/87/450407187.db2.gz MAJKWPXUWKJYAL-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216166 320616625 /nfs/dbraw/zinc/61/66/25/320616625.db2.gz NCROSUOYBQRCHE-CJNGLKHVSA-N 2 2 337.489 1.886 20 0 EDADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000285072663 443845808 /nfs/dbraw/zinc/84/58/08/443845808.db2.gz WPKASYMNGQWOFN-SQNIBIBYSA-N 2 2 331.460 1.659 20 0 EDADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000285072663 443845812 /nfs/dbraw/zinc/84/58/12/443845812.db2.gz WPKASYMNGQWOFN-SQNIBIBYSA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000285072663 443845817 /nfs/dbraw/zinc/84/58/17/443845817.db2.gz WPKASYMNGQWOFN-SQNIBIBYSA-N 2 2 331.460 1.659 20 0 EDADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000285072663 443845820 /nfs/dbraw/zinc/84/58/20/443845820.db2.gz WPKASYMNGQWOFN-SQNIBIBYSA-N 2 2 331.460 1.659 20 0 EDADLP CNC(=O)C[C@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000298714182 443846543 /nfs/dbraw/zinc/84/65/43/443846543.db2.gz WJCGFYXPGPRSQD-SFHVURJKSA-N 2 2 346.519 1.699 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000288353039 443853144 /nfs/dbraw/zinc/85/31/44/443853144.db2.gz DHUKJRUOQHGXEZ-DLBZAZTESA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000288353039 443853148 /nfs/dbraw/zinc/85/31/48/443853148.db2.gz DHUKJRUOQHGXEZ-DLBZAZTESA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288353046 443853200 /nfs/dbraw/zinc/85/32/00/443853200.db2.gz DHUKJRUOQHGXEZ-SJORKVTESA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288353046 443853203 /nfs/dbraw/zinc/85/32/03/443853203.db2.gz DHUKJRUOQHGXEZ-SJORKVTESA-N 2 2 342.443 1.342 20 0 EDADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC1CC1 ZINC000285242606 443909305 /nfs/dbraw/zinc/90/93/05/443909305.db2.gz AARMMZDOWLHCDN-UHFFFAOYSA-N 2 2 330.476 1.015 20 0 EDADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC1CC1 ZINC000285242606 443909308 /nfs/dbraw/zinc/90/93/08/443909308.db2.gz AARMMZDOWLHCDN-UHFFFAOYSA-N 2 2 330.476 1.015 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285255549 443914264 /nfs/dbraw/zinc/91/42/64/443914264.db2.gz AXBSCBYZHYTTQD-UHFFFAOYSA-N 3 2 341.503 1.941 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000288548630 443915675 /nfs/dbraw/zinc/91/56/75/443915675.db2.gz VMXFHNGDBLSYQG-GDBMZVCRSA-N 2 2 325.416 1.966 20 0 EDADLP COC(=O)[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000285284938 443927278 /nfs/dbraw/zinc/92/72/78/443927278.db2.gz KSSBHOYQWMIXLI-IEBWSBKVSA-N 2 2 345.487 1.940 20 0 EDADLP COC(=O)[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000285284938 443927280 /nfs/dbraw/zinc/92/72/80/443927280.db2.gz KSSBHOYQWMIXLI-IEBWSBKVSA-N 2 2 345.487 1.940 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)cn1C ZINC000299135646 443964868 /nfs/dbraw/zinc/96/48/68/443964868.db2.gz WVYHHAVDRMLXTO-UHFFFAOYSA-N 2 2 326.872 1.777 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)cn1C ZINC000299135646 443964870 /nfs/dbraw/zinc/96/48/70/443964870.db2.gz WVYHHAVDRMLXTO-UHFFFAOYSA-N 2 2 326.872 1.777 20 0 EDADLP CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000285426946 443980519 /nfs/dbraw/zinc/98/05/19/443980519.db2.gz QRNABWRGEYQATD-HDICACEKSA-N 2 2 347.459 1.567 20 0 EDADLP CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000285426946 443980523 /nfs/dbraw/zinc/98/05/23/443980523.db2.gz QRNABWRGEYQATD-HDICACEKSA-N 2 2 347.459 1.567 20 0 EDADLP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000299206334 443982384 /nfs/dbraw/zinc/98/23/84/443982384.db2.gz CLJSYLXCEVDJIT-MRXNPFEDSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@@H]1CN(CC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000281885415 444032018 /nfs/dbraw/zinc/03/20/18/444032018.db2.gz ANEXMWPTRWFXNR-IEBWSBKVSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1CN(CC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000281885415 444032019 /nfs/dbraw/zinc/03/20/19/444032019.db2.gz ANEXMWPTRWFXNR-IEBWSBKVSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885415 444032021 /nfs/dbraw/zinc/03/20/21/444032021.db2.gz ANEXMWPTRWFXNR-IEBWSBKVSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1CN(CC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885415 444032023 /nfs/dbraw/zinc/03/20/23/444032023.db2.gz ANEXMWPTRWFXNR-IEBWSBKVSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000281885415 444032024 /nfs/dbraw/zinc/03/20/24/444032024.db2.gz ANEXMWPTRWFXNR-IEBWSBKVSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000281885415 444032026 /nfs/dbraw/zinc/03/20/26/444032026.db2.gz ANEXMWPTRWFXNR-IEBWSBKVSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885415 444032027 /nfs/dbraw/zinc/03/20/27/444032027.db2.gz ANEXMWPTRWFXNR-IEBWSBKVSA-N 2 2 332.492 1.556 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885415 444032029 /nfs/dbraw/zinc/03/20/29/444032029.db2.gz ANEXMWPTRWFXNR-IEBWSBKVSA-N 2 2 332.492 1.556 20 0 EDADLP O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282036520 444069267 /nfs/dbraw/zinc/06/92/67/444069267.db2.gz LFIOVEREXULMFY-DOTOQJQBSA-N 2 2 329.448 1.656 20 0 EDADLP O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282036520 444069269 /nfs/dbraw/zinc/06/92/69/444069269.db2.gz LFIOVEREXULMFY-DOTOQJQBSA-N 2 2 329.448 1.656 20 0 EDADLP COC[C@H]1CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000293621212 444072690 /nfs/dbraw/zinc/07/26/90/444072690.db2.gz QHELCWJNVKQMAX-GOSISDBHSA-N 2 2 331.460 1.360 20 0 EDADLP COC[C@H]1CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000293621212 444072693 /nfs/dbraw/zinc/07/26/93/444072693.db2.gz QHELCWJNVKQMAX-GOSISDBHSA-N 2 2 331.460 1.360 20 0 EDADLP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000289211388 444078247 /nfs/dbraw/zinc/07/82/47/444078247.db2.gz KMHMQWROOYGRLW-GOSISDBHSA-N 2 2 342.491 1.757 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000562294396 321050246 /nfs/dbraw/zinc/05/02/46/321050246.db2.gz WVOSZANCXUAJDE-NVXWUHKLSA-N 2 2 325.497 1.581 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000562294396 321050248 /nfs/dbraw/zinc/05/02/48/321050248.db2.gz WVOSZANCXUAJDE-NVXWUHKLSA-N 2 2 325.497 1.581 20 0 EDADLP [NH3+][C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1c(F)cccc1F ZINC000563069652 321092545 /nfs/dbraw/zinc/09/25/45/321092545.db2.gz OQOXVQDYBUGBTI-OAHLLOKOSA-N 2 2 335.358 1.032 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NC(=O)C[NH+]3CC(C)(C)C3)cc2)CC1 ZINC000563379722 321106686 /nfs/dbraw/zinc/10/66/86/321106686.db2.gz WMVYMDPYGJSVIG-UHFFFAOYSA-N 2 2 330.476 1.714 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000564386089 321128363 /nfs/dbraw/zinc/12/83/63/321128363.db2.gz ZEGLHAPUSBQIMD-DLBZAZTESA-N 2 2 332.423 1.693 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)O1 ZINC000564704872 321143110 /nfs/dbraw/zinc/14/31/10/321143110.db2.gz JNWMRIMAAYIKFR-PMPSAXMXSA-N 2 2 332.448 1.276 20 0 EDADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000564773675 321146933 /nfs/dbraw/zinc/14/69/33/321146933.db2.gz FAKYIODJPSQGEK-HLLBOEOZSA-N 2 2 333.480 1.376 20 0 EDADLP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000564773675 321146935 /nfs/dbraw/zinc/14/69/35/321146935.db2.gz FAKYIODJPSQGEK-HLLBOEOZSA-N 2 2 333.480 1.376 20 0 EDADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000564824069 321150165 /nfs/dbraw/zinc/15/01/65/321150165.db2.gz SUSTWGKRGNYOJX-IAGOWNOFSA-N 3 2 345.491 1.370 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000565039727 321165427 /nfs/dbraw/zinc/16/54/27/321165427.db2.gz BSGNMMWHEXOXDM-CRAIPNDOSA-N 2 2 330.476 1.761 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCCOCC1)c1ccc(Cl)cc1 ZINC000565189968 321175909 /nfs/dbraw/zinc/17/59/09/321175909.db2.gz FMZIDRCSUFLCRD-INIZCTEOSA-N 2 2 339.867 1.781 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCC[N@H+]1CCCOCC1)c1ccc(Cl)cc1 ZINC000565189968 321175910 /nfs/dbraw/zinc/17/59/10/321175910.db2.gz FMZIDRCSUFLCRD-INIZCTEOSA-N 2 2 339.867 1.781 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000567120656 321241554 /nfs/dbraw/zinc/24/15/54/321241554.db2.gz IKKRFIMDJMZOMA-MSOLQXFVSA-N 2 2 333.476 1.584 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000567120656 321241555 /nfs/dbraw/zinc/24/15/55/321241555.db2.gz IKKRFIMDJMZOMA-MSOLQXFVSA-N 2 2 333.476 1.584 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000567120656 321241556 /nfs/dbraw/zinc/24/15/56/321241556.db2.gz IKKRFIMDJMZOMA-MSOLQXFVSA-N 2 2 333.476 1.584 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000567120656 321241557 /nfs/dbraw/zinc/24/15/57/321241557.db2.gz IKKRFIMDJMZOMA-MSOLQXFVSA-N 2 2 333.476 1.584 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(OC)c2F)CCOCC1 ZINC000567121122 321241710 /nfs/dbraw/zinc/24/17/10/321241710.db2.gz ZTMPPSQUEMKMOX-CQSZACIVSA-N 2 2 340.439 1.742 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(OC)c2F)CCOCC1 ZINC000567121122 321241712 /nfs/dbraw/zinc/24/17/12/321241712.db2.gz ZTMPPSQUEMKMOX-CQSZACIVSA-N 2 2 340.439 1.742 20 0 EDADLP COCC1(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000567582323 321246459 /nfs/dbraw/zinc/24/64/59/321246459.db2.gz AYYRQBWQGBTLIT-IXDOHACOSA-N 2 2 328.497 1.643 20 0 EDADLP COCC1(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000567582323 321246461 /nfs/dbraw/zinc/24/64/61/321246461.db2.gz AYYRQBWQGBTLIT-IXDOHACOSA-N 2 2 328.497 1.643 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000567696835 321253835 /nfs/dbraw/zinc/25/38/35/321253835.db2.gz IYJXFQUPRGIDDB-RHHMJZNLSA-N 2 2 334.460 1.611 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000567696835 321253836 /nfs/dbraw/zinc/25/38/36/321253836.db2.gz IYJXFQUPRGIDDB-RHHMJZNLSA-N 2 2 334.460 1.611 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)c2ccccc2CC2CC[NH2+]CC2)CCO1 ZINC000567966459 321269373 /nfs/dbraw/zinc/26/93/73/321269373.db2.gz JOHOUCXXLXYDDJ-INIZCTEOSA-N 2 2 345.487 1.679 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2CC2CC[NH2+]CC2)CCO1 ZINC000567966459 321269375 /nfs/dbraw/zinc/26/93/75/321269375.db2.gz JOHOUCXXLXYDDJ-INIZCTEOSA-N 2 2 345.487 1.679 20 0 EDADLP C[N@@H+]1CCc2ncnc(NCc3cc[nH+]c(N4CCOCC4)c3)c2C1 ZINC000299626032 444099782 /nfs/dbraw/zinc/09/97/82/444099782.db2.gz RQHWKXXESSJEAZ-UHFFFAOYSA-N 2 2 340.431 1.308 20 0 EDADLP C[N@H+]1CCc2ncnc(NCc3cc[nH+]c(N4CCOCC4)c3)c2C1 ZINC000299626032 444099787 /nfs/dbraw/zinc/09/97/87/444099787.db2.gz RQHWKXXESSJEAZ-UHFFFAOYSA-N 2 2 340.431 1.308 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000568490406 321293555 /nfs/dbraw/zinc/29/35/55/321293555.db2.gz PFRHLHMWFLXVTB-ZDUSSCGKSA-N 2 2 331.395 1.810 20 0 EDADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC[C@H]1COc2ccccc2O1 ZINC000569087219 321318064 /nfs/dbraw/zinc/31/80/64/321318064.db2.gz GZDKMDLDOIWBLK-HNAYVOBHSA-N 2 2 345.443 1.018 20 0 EDADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC[C@H]1COc2ccccc2O1 ZINC000569087219 321318066 /nfs/dbraw/zinc/31/80/66/321318066.db2.gz GZDKMDLDOIWBLK-HNAYVOBHSA-N 2 2 345.443 1.018 20 0 EDADLP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000570708586 321354925 /nfs/dbraw/zinc/35/49/25/321354925.db2.gz BOGZAYCRLVZVGS-KSZLIROESA-N 3 2 339.524 1.611 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000571027539 321367935 /nfs/dbraw/zinc/36/79/35/321367935.db2.gz BTHDKUYNKKTGJI-WCQYABFASA-N 2 2 328.420 1.997 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000571425315 321386665 /nfs/dbraw/zinc/38/66/65/321386665.db2.gz NSCWQGWFLHOLLH-HOTGVXAUSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000571425315 321386666 /nfs/dbraw/zinc/38/66/66/321386666.db2.gz NSCWQGWFLHOLLH-HOTGVXAUSA-N 2 2 349.479 1.016 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000571774162 321399731 /nfs/dbraw/zinc/39/97/31/321399731.db2.gz KOPIZGSPIDDIGL-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000571774162 321399732 /nfs/dbraw/zinc/39/97/32/321399732.db2.gz KOPIZGSPIDDIGL-QZTJIDSGSA-N 2 2 346.475 1.281 20 0 EDADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000289323202 444107709 /nfs/dbraw/zinc/10/77/09/444107709.db2.gz COUFJMVYXUAAHB-CVEARBPZSA-N 2 2 325.478 1.351 20 0 EDADLP CCS(=O)(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000289323202 444107715 /nfs/dbraw/zinc/10/77/15/444107715.db2.gz COUFJMVYXUAAHB-CVEARBPZSA-N 2 2 325.478 1.351 20 0 EDADLP Cc1nn(C)cc1C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000289370595 444120802 /nfs/dbraw/zinc/12/08/02/444120802.db2.gz LJUUWHOJVLDEAK-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1nn(C)cc1C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000289370595 444120805 /nfs/dbraw/zinc/12/08/05/444120805.db2.gz LJUUWHOJVLDEAK-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1cccc(C)c1OCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000572149002 321418278 /nfs/dbraw/zinc/41/82/78/321418278.db2.gz NFFIGWKKJYRDJB-BZSNNMDCSA-N 2 2 336.476 1.742 20 0 EDADLP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000289415563 444136041 /nfs/dbraw/zinc/13/60/41/444136041.db2.gz PXFMPKSLEAVTLC-ZTFGCOKTSA-N 2 2 339.430 1.755 20 0 EDADLP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000289415563 444136043 /nfs/dbraw/zinc/13/60/43/444136043.db2.gz PXFMPKSLEAVTLC-ZTFGCOKTSA-N 2 2 339.430 1.755 20 0 EDADLP C[N@H+](C[C@H](O)CN[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415563 444136047 /nfs/dbraw/zinc/13/60/47/444136047.db2.gz PXFMPKSLEAVTLC-ZTFGCOKTSA-N 2 2 339.430 1.755 20 0 EDADLP C[N@@H+](C[C@H](O)CN[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415563 444136050 /nfs/dbraw/zinc/13/60/50/444136050.db2.gz PXFMPKSLEAVTLC-ZTFGCOKTSA-N 2 2 339.430 1.755 20 0 EDADLP C[NH+](C[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415563 444136052 /nfs/dbraw/zinc/13/60/52/444136052.db2.gz PXFMPKSLEAVTLC-ZTFGCOKTSA-N 2 2 339.430 1.755 20 0 EDADLP C[NH+](C[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000289415563 444136053 /nfs/dbraw/zinc/13/60/53/444136053.db2.gz PXFMPKSLEAVTLC-ZTFGCOKTSA-N 2 2 339.430 1.755 20 0 EDADLP C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000573936190 321464069 /nfs/dbraw/zinc/46/40/69/321464069.db2.gz WVGSAKYBHKQFDQ-UHFFFAOYSA-N 2 2 347.463 1.232 20 0 EDADLP Cc1ccncc1CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000289502486 444160629 /nfs/dbraw/zinc/16/06/29/444160629.db2.gz DPDMFARMXCXWPF-GOSISDBHSA-N 2 2 330.476 1.561 20 0 EDADLP Cc1ccncc1CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000289502486 444160630 /nfs/dbraw/zinc/16/06/30/444160630.db2.gz DPDMFARMXCXWPF-GOSISDBHSA-N 2 2 330.476 1.561 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)C(C)(C)n1cncn1 ZINC000289516110 444163021 /nfs/dbraw/zinc/16/30/21/444163021.db2.gz AOYDRYPSHSBSGF-QAPCUYQASA-N 2 2 343.475 1.411 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)C(C)(C)n1cncn1 ZINC000289516110 444163023 /nfs/dbraw/zinc/16/30/23/444163023.db2.gz AOYDRYPSHSBSGF-QAPCUYQASA-N 2 2 343.475 1.411 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)[NH+]2CCOCC2)c1 ZINC000296268465 444215967 /nfs/dbraw/zinc/21/59/67/444215967.db2.gz DPRZLKZSZJRQCW-CRAIPNDOSA-N 2 2 331.460 1.625 20 0 EDADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000289896787 444216360 /nfs/dbraw/zinc/21/63/60/444216360.db2.gz IUYRUJIKSQOIKQ-QZTJIDSGSA-N 2 2 331.460 1.523 20 0 EDADLP CCN1CC[NH+](C[C@H](C)CNc2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000302631438 444217880 /nfs/dbraw/zinc/21/78/80/444217880.db2.gz GRHHGPIUEQOTSZ-OAHLLOKOSA-N 2 2 343.479 1.656 20 0 EDADLP CC[NH+]1CCN(C[C@H](C)CNc2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000302631438 444217883 /nfs/dbraw/zinc/21/78/83/444217883.db2.gz GRHHGPIUEQOTSZ-OAHLLOKOSA-N 2 2 343.479 1.656 20 0 EDADLP CC(C)c1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000302003877 444200391 /nfs/dbraw/zinc/20/03/91/444200391.db2.gz RPXGHHJVAIXTGW-KKUMJFAQSA-N 2 2 330.480 1.982 20 0 EDADLP CC(C)c1nc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000302003877 444200394 /nfs/dbraw/zinc/20/03/94/444200394.db2.gz RPXGHHJVAIXTGW-KKUMJFAQSA-N 2 2 330.480 1.982 20 0 EDADLP Cc1cccc([C@@H](CNc2cc[nH+]cc2C(N)=O)[NH+]2CCOCC2)c1 ZINC000302015786 444200646 /nfs/dbraw/zinc/20/06/46/444200646.db2.gz FNLOYNKQRHNGMS-GOSISDBHSA-N 2 2 340.427 1.974 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000576449908 321567204 /nfs/dbraw/zinc/56/72/04/321567204.db2.gz XECCKHVNTQPYNW-HNNXBMFYSA-N 2 2 327.432 1.881 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000576572781 321577593 /nfs/dbraw/zinc/57/75/93/321577593.db2.gz SLDFVGDPMWMENL-HZPDHXFCSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000290329503 444268003 /nfs/dbraw/zinc/26/80/03/444268003.db2.gz KECUXRFQQFXMEB-JKSUJKDBSA-N 2 2 325.478 1.630 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000290329484 444268012 /nfs/dbraw/zinc/26/80/12/444268012.db2.gz KECUXRFQQFXMEB-CVEARBPZSA-N 2 2 325.478 1.630 20 0 EDADLP Cc1ccc(C(=O)N2CC[NH+](CCc3c[nH+]cn3C)CC2)cc1F ZINC000290058344 444236935 /nfs/dbraw/zinc/23/69/35/444236935.db2.gz PGQYHHDEKRTXOY-UHFFFAOYSA-N 2 2 330.407 1.868 20 0 EDADLP C[C@@H](C(=O)NCCC[NH+](C)CCN(C)C)[N@H+](C)Cc1ccccc1 ZINC000290759467 444319947 /nfs/dbraw/zinc/31/99/47/444319947.db2.gz ZOIYNCQQGPNSJV-KRWDZBQOSA-N 2 2 334.508 1.507 20 0 EDADLP C[C@@H](C(=O)NCCC[NH+](C)CCN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000290759467 444319951 /nfs/dbraw/zinc/31/99/51/444319951.db2.gz ZOIYNCQQGPNSJV-KRWDZBQOSA-N 2 2 334.508 1.507 20 0 EDADLP C[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)[NH+](C)Cc1ccccc1 ZINC000290759467 444319953 /nfs/dbraw/zinc/31/99/53/444319953.db2.gz ZOIYNCQQGPNSJV-KRWDZBQOSA-N 2 2 334.508 1.507 20 0 EDADLP C[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)[NH+](C)Cc1ccccc1 ZINC000290759467 444319956 /nfs/dbraw/zinc/31/99/56/444319956.db2.gz ZOIYNCQQGPNSJV-KRWDZBQOSA-N 2 2 334.508 1.507 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000290507240 444289409 /nfs/dbraw/zinc/28/94/09/444289409.db2.gz PJTZWFZWFCEEKQ-UHFFFAOYSA-N 2 2 332.452 1.284 20 0 EDADLP CC(=O)c1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000578639202 321807823 /nfs/dbraw/zinc/80/78/23/321807823.db2.gz XCESQXDOTJPFLO-UHFFFAOYSA-N 2 2 348.447 1.253 20 0 EDADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000340523610 444423694 /nfs/dbraw/zinc/42/36/94/444423694.db2.gz GRSSHCCLRBLDCN-WBVHZDCISA-N 2 2 335.427 1.980 20 0 EDADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340523610 444423697 /nfs/dbraw/zinc/42/36/97/444423697.db2.gz GRSSHCCLRBLDCN-WBVHZDCISA-N 2 2 335.427 1.980 20 0 EDADLP COC[C@]1(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CCC[NH2+]1 ZINC000578864482 321844593 /nfs/dbraw/zinc/84/45/93/321844593.db2.gz ICADYGHNYKJAND-HLLBOEOZSA-N 2 2 335.452 1.244 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCC[C@H]2OC(F)F)CC1 ZINC000337824846 444425503 /nfs/dbraw/zinc/42/55/03/444425503.db2.gz WPWNBHWYCCZRKW-UONOGXRCSA-N 2 2 348.438 1.472 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000337986307 444479718 /nfs/dbraw/zinc/47/97/18/444479718.db2.gz XKUPJMGTDUHWSX-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000337986307 444479721 /nfs/dbraw/zinc/47/97/21/444479721.db2.gz XKUPJMGTDUHWSX-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000337986307 444479724 /nfs/dbraw/zinc/47/97/24/444479724.db2.gz XKUPJMGTDUHWSX-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000337986307 444479726 /nfs/dbraw/zinc/47/97/26/444479726.db2.gz XKUPJMGTDUHWSX-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000580084394 322008083 /nfs/dbraw/zinc/00/80/83/322008083.db2.gz OTUXVFICWDOHLK-RHSMWYFYSA-N 2 2 325.884 1.989 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(C(N)=O)o3)c2cc1C ZINC000580182779 322019485 /nfs/dbraw/zinc/01/94/85/322019485.db2.gz FSFWSACQJWFFRR-ZDUSSCGKSA-N 2 2 342.399 1.496 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000580275066 322029004 /nfs/dbraw/zinc/02/90/04/322029004.db2.gz WFEPQQCXVGEFHV-HZPDHXFCSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000580275066 322029005 /nfs/dbraw/zinc/02/90/05/322029005.db2.gz WFEPQQCXVGEFHV-HZPDHXFCSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000580890369 322108702 /nfs/dbraw/zinc/10/87/02/322108702.db2.gz JTEODWAFWXBBJR-GOEBONIOSA-N 2 2 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346.475 1.281 20 0 EDADLP CNC(=O)N[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000341904904 445064180 /nfs/dbraw/zinc/06/41/80/445064180.db2.gz KAUQYZUFFULDRG-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP CNC(=O)N[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000341904904 445064184 /nfs/dbraw/zinc/06/41/84/445064184.db2.gz KAUQYZUFFULDRG-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP CNC(=O)N[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000341904904 445064187 /nfs/dbraw/zinc/06/41/87/445064187.db2.gz KAUQYZUFFULDRG-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP CCCCNc1cc(N(C)CC[NH+]2C[C@@H](C)O[C@H](C)C2)nc(N)[nH+]1 ZINC000343113284 445074766 /nfs/dbraw/zinc/07/47/66/445074766.db2.gz YRYOEKDCVRRBHI-ZIAGYGMSSA-N 2 2 336.484 1.816 20 0 EDADLP C[C@@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000337341781 445039588 /nfs/dbraw/zinc/03/95/88/445039588.db2.gz VBRHABIJBYKZPR-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000343071766 445042877 /nfs/dbraw/zinc/04/28/77/445042877.db2.gz NBVMNCFOMGAJJV-HLLBOEOZSA-N 2 2 335.496 1.507 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000343071766 445042880 /nfs/dbraw/zinc/04/28/80/445042880.db2.gz NBVMNCFOMGAJJV-HLLBOEOZSA-N 2 2 335.496 1.507 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCOCC2)C1 ZINC000343079079 445046847 /nfs/dbraw/zinc/04/68/47/445046847.db2.gz OAFSGAZXVVJBBY-DBVUQKKJSA-N 2 2 347.503 1.998 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](c2ccc(OC)cc2)N2CCOCC2)C1 ZINC000343079079 445046850 /nfs/dbraw/zinc/04/68/50/445046850.db2.gz OAFSGAZXVVJBBY-DBVUQKKJSA-N 2 2 347.503 1.998 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000339425951 445137368 /nfs/dbraw/zinc/13/73/68/445137368.db2.gz IFVILBWSHHIAKW-PXNSSMCTSA-N 2 2 343.471 1.524 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000339425951 445137373 /nfs/dbraw/zinc/13/73/73/445137373.db2.gz IFVILBWSHHIAKW-PXNSSMCTSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000339425951 445137376 /nfs/dbraw/zinc/13/73/76/445137376.db2.gz IFVILBWSHHIAKW-PXNSSMCTSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)C1 ZINC000339425951 445137379 /nfs/dbraw/zinc/13/73/79/445137379.db2.gz IFVILBWSHHIAKW-PXNSSMCTSA-N 2 2 343.471 1.524 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000344752066 445139884 /nfs/dbraw/zinc/13/98/84/445139884.db2.gz XZLCVDALHOWDHV-BRWVUGGUSA-N 2 2 333.501 1.765 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000344752066 445139893 /nfs/dbraw/zinc/13/98/93/445139893.db2.gz XZLCVDALHOWDHV-BRWVUGGUSA-N 2 2 333.501 1.765 20 0 EDADLP COCCN1C(=O)N[C@@H]2C[N@@H+](CCCc3ccc(C)[nH+]c3)CC[C@H]21 ZINC000344644112 445101894 /nfs/dbraw/zinc/10/18/94/445101894.db2.gz WFTDRQQNXGEHIM-IAGOWNOFSA-N 2 2 332.448 1.437 20 0 EDADLP COCCN1C(=O)N[C@@H]2C[N@H+](CCCc3ccc(C)[nH+]c3)CC[C@H]21 ZINC000344644112 445101898 /nfs/dbraw/zinc/10/18/98/445101898.db2.gz WFTDRQQNXGEHIM-IAGOWNOFSA-N 2 2 332.448 1.437 20 0 EDADLP O=C(NCC[NH+]1CCC1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000337512769 445113433 /nfs/dbraw/zinc/11/34/33/445113433.db2.gz SKNRKJJTUUFBCT-UHFFFAOYSA-N 2 2 340.383 1.634 20 0 EDADLP CO[C@H]1CCC[C@H]1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000342019659 445127771 /nfs/dbraw/zinc/12/77/71/445127771.db2.gz ZHPRGVJJGDWKBT-RDJZCZTQSA-N 2 2 340.512 1.469 20 0 EDADLP CO[C@H]1CCC[C@H]1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000342019659 445127774 /nfs/dbraw/zinc/12/77/74/445127774.db2.gz ZHPRGVJJGDWKBT-RDJZCZTQSA-N 2 2 340.512 1.469 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000343251234 445161949 /nfs/dbraw/zinc/16/19/49/445161949.db2.gz MDHCTNAXKAOSIL-OTWHNJEPSA-N 3 2 338.540 1.151 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000343251234 445161955 /nfs/dbraw/zinc/16/19/55/445161955.db2.gz MDHCTNAXKAOSIL-OTWHNJEPSA-N 3 2 338.540 1.151 20 0 EDADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000342095287 445169255 /nfs/dbraw/zinc/16/92/55/445169255.db2.gz FUOLVFODZDZQBQ-CYBMUJFWSA-N 2 2 330.432 1.611 20 0 EDADLP CCCN(CC[NH+]1CCCC1)c1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000343267608 445170410 /nfs/dbraw/zinc/17/04/10/445170410.db2.gz VJZCKXFABNAVER-MRXNPFEDSA-N 2 2 333.480 2.380 20 0 EDADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339817331 445171950 /nfs/dbraw/zinc/17/19/50/445171950.db2.gz ZFIHGBXLWNMAQU-MRXNPFEDSA-N 2 2 333.476 1.864 20 0 EDADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339817331 445171952 /nfs/dbraw/zinc/17/19/52/445171952.db2.gz ZFIHGBXLWNMAQU-MRXNPFEDSA-N 2 2 333.476 1.864 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@@H]1C ZINC000330874406 445175853 /nfs/dbraw/zinc/17/58/53/445175853.db2.gz SZELCYFYXHPSMI-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@@H]1C ZINC000330874406 445175856 /nfs/dbraw/zinc/17/58/56/445175856.db2.gz SZELCYFYXHPSMI-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@@H]1C ZINC000330874406 445175861 /nfs/dbraw/zinc/17/58/61/445175861.db2.gz SZELCYFYXHPSMI-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC(C(=O)OC)CC2)C[C@@H]1C ZINC000330874406 445175866 /nfs/dbraw/zinc/17/58/66/445175866.db2.gz SZELCYFYXHPSMI-GOEBONIOSA-N 2 2 339.480 1.203 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCOCC1)CCC2 ZINC000337581389 445149668 /nfs/dbraw/zinc/14/96/68/445149668.db2.gz BNECDNMSDQKILN-GOEBONIOSA-N 2 2 349.479 1.336 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000337580900 445149934 /nfs/dbraw/zinc/14/99/34/445149934.db2.gz BHSUBYMGINGJOD-CABCVRRESA-N 2 2 331.464 1.852 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000337580900 445149938 /nfs/dbraw/zinc/14/99/38/445149938.db2.gz BHSUBYMGINGJOD-CABCVRRESA-N 2 2 331.464 1.852 20 0 EDADLP COc1ccccc1[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[NH2+]1 ZINC000337594685 445156864 /nfs/dbraw/zinc/15/68/64/445156864.db2.gz OJOLRMJHQMUCEZ-MRXNPFEDSA-N 2 2 344.415 1.532 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1cnn(C)c1 ZINC000348303871 445248832 /nfs/dbraw/zinc/24/88/32/445248832.db2.gz FEDCSPXHRKFKBE-CQSZACIVSA-N 2 2 331.420 1.008 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000354474067 445253839 /nfs/dbraw/zinc/25/38/39/445253839.db2.gz WZLDRVMVXVDIBH-MRXNPFEDSA-N 2 2 346.479 1.070 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000354474067 445253844 /nfs/dbraw/zinc/25/38/44/445253844.db2.gz WZLDRVMVXVDIBH-MRXNPFEDSA-N 2 2 346.479 1.070 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000348487404 445305584 /nfs/dbraw/zinc/30/55/84/445305584.db2.gz BLCJMJSVGSOHKW-IBGZPJMESA-N 2 2 331.460 1.772 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000348487404 445305588 /nfs/dbraw/zinc/30/55/88/445305588.db2.gz BLCJMJSVGSOHKW-IBGZPJMESA-N 2 2 331.460 1.772 20 0 EDADLP CCOC(=O)[C@H](CC)[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348113744 445274168 /nfs/dbraw/zinc/27/41/68/445274168.db2.gz ANXBXCKVRFVQQZ-KFWWJZLASA-N 2 2 340.443 1.606 20 0 EDADLP CCOC(=O)[C@H](CC)[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348113744 445274173 /nfs/dbraw/zinc/27/41/73/445274173.db2.gz ANXBXCKVRFVQQZ-KFWWJZLASA-N 2 2 340.443 1.606 20 0 EDADLP CCc1nn(C)c(CC)c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000362376090 445351056 /nfs/dbraw/zinc/35/10/56/445351056.db2.gz LDFGUPZKCVMOHY-MRXNPFEDSA-N 2 2 333.524 1.757 20 0 EDADLP CCc1nn(C)c(CC)c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000362376090 445351062 /nfs/dbraw/zinc/35/10/62/445351062.db2.gz LDFGUPZKCVMOHY-MRXNPFEDSA-N 2 2 333.524 1.757 20 0 EDADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000354743496 445360775 /nfs/dbraw/zinc/36/07/75/445360775.db2.gz AZMPMTJBACAVDA-OAHLLOKOSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000354743496 445360778 /nfs/dbraw/zinc/36/07/78/445360778.db2.gz AZMPMTJBACAVDA-OAHLLOKOSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000348832230 445407054 /nfs/dbraw/zinc/40/70/54/445407054.db2.gz KPZVVEJJEITIDB-MRXNPFEDSA-N 2 2 331.460 1.224 20 0 EDADLP C[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000348832230 445407057 /nfs/dbraw/zinc/40/70/57/445407057.db2.gz KPZVVEJJEITIDB-MRXNPFEDSA-N 2 2 331.460 1.224 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357077085 445410727 /nfs/dbraw/zinc/41/07/27/445410727.db2.gz JKMAVKSIKXPRET-NWANDNLSSA-N 2 2 330.432 1.513 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357077085 445410729 /nfs/dbraw/zinc/41/07/29/445410729.db2.gz JKMAVKSIKXPRET-NWANDNLSSA-N 2 2 330.432 1.513 20 0 EDADLP CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000357082326 445415302 /nfs/dbraw/zinc/41/53/02/445415302.db2.gz HTZMNLKMFWPZJC-MRXNPFEDSA-N 2 2 349.475 1.136 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000357083842 445416501 /nfs/dbraw/zinc/41/65/01/445416501.db2.gz QLBUYOGYBLMCDU-HUUCEWRRSA-N 2 2 330.432 1.493 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000357083842 445416504 /nfs/dbraw/zinc/41/65/04/445416504.db2.gz QLBUYOGYBLMCDU-HUUCEWRRSA-N 2 2 330.432 1.493 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357088596 445420355 /nfs/dbraw/zinc/42/03/55/445420355.db2.gz XYRXFOUGPWDCPU-JKSUJKDBSA-N 2 2 349.450 1.594 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357088596 445420358 /nfs/dbraw/zinc/42/03/58/445420358.db2.gz XYRXFOUGPWDCPU-JKSUJKDBSA-N 2 2 349.450 1.594 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000362517980 445420504 /nfs/dbraw/zinc/42/05/04/445420504.db2.gz AGYATTIBPYZAQG-NEPJUHHUSA-N 2 2 347.385 1.973 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000362517980 445420507 /nfs/dbraw/zinc/42/05/07/445420507.db2.gz AGYATTIBPYZAQG-NEPJUHHUSA-N 2 2 347.385 1.973 20 0 EDADLP COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000362523032 445423064 /nfs/dbraw/zinc/42/30/64/445423064.db2.gz DBZCEJSABOAQFC-QZTJIDSGSA-N 2 2 331.416 1.782 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357101116 445428557 /nfs/dbraw/zinc/42/85/57/445428557.db2.gz GEXMGBYVRMWJME-SJORKVTESA-N 2 2 331.460 1.631 20 0 EDADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357101116 445428559 /nfs/dbraw/zinc/42/85/59/445428559.db2.gz GEXMGBYVRMWJME-SJORKVTESA-N 2 2 331.460 1.631 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000351930952 445382024 /nfs/dbraw/zinc/38/20/24/445382024.db2.gz MJZHVUAITBONLF-HNNXBMFYSA-N 2 2 349.479 1.912 20 0 EDADLP O=C(COc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000357041883 445390850 /nfs/dbraw/zinc/39/08/50/445390850.db2.gz DKXJYNUFTCAVCA-AEFFLSMTSA-N 2 2 343.471 1.633 20 0 EDADLP O=C(COc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000357041883 445390853 /nfs/dbraw/zinc/39/08/53/445390853.db2.gz DKXJYNUFTCAVCA-AEFFLSMTSA-N 2 2 343.471 1.633 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3cc(OC)c(F)cc3C2)CC1 ZINC000348816151 445398764 /nfs/dbraw/zinc/39/87/64/445398764.db2.gz YUAHEDRATRWJHG-AWEZNQCLSA-N 2 2 349.450 1.745 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3cc(OC)c(F)cc3C2)CC1 ZINC000348816151 445398766 /nfs/dbraw/zinc/39/87/66/445398766.db2.gz YUAHEDRATRWJHG-AWEZNQCLSA-N 2 2 349.450 1.745 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362548731 445433006 /nfs/dbraw/zinc/43/30/06/445433006.db2.gz XBLSOIDIBAJOEI-CYBMUJFWSA-N 2 2 340.431 1.280 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C[C@H]21 ZINC000348902935 445435507 /nfs/dbraw/zinc/43/55/07/445435507.db2.gz VTVZMGDEWRRMOK-ZMSDIMECSA-N 2 2 348.447 1.141 20 0 EDADLP C[N@H+]1CCO[C@@H]2CN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C[C@H]21 ZINC000348902935 445435512 /nfs/dbraw/zinc/43/55/12/445435512.db2.gz VTVZMGDEWRRMOK-ZMSDIMECSA-N 2 2 348.447 1.141 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000348911795 445438865 /nfs/dbraw/zinc/43/88/65/445438865.db2.gz NOEXVBVQEBZIMV-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000348911795 445438866 /nfs/dbraw/zinc/43/88/66/445438866.db2.gz NOEXVBVQEBZIMV-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000348911795 445438868 /nfs/dbraw/zinc/43/88/68/445438868.db2.gz NOEXVBVQEBZIMV-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000348911795 445438870 /nfs/dbraw/zinc/43/88/70/445438870.db2.gz NOEXVBVQEBZIMV-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)Cn1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000348933694 445447601 /nfs/dbraw/zinc/44/76/01/445447601.db2.gz KGMMADGHVDVZFO-UHFFFAOYSA-N 2 2 347.507 1.525 20 0 EDADLP C[C@@H](NC(=O)NCC1(C)CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000357177868 445468774 /nfs/dbraw/zinc/46/87/74/445468774.db2.gz MKBOXHQKIGDWQV-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357252379 445508354 /nfs/dbraw/zinc/50/83/54/445508354.db2.gz DTIJYYZZXCSQDB-CABCVRRESA-N 2 2 349.479 1.096 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357252379 445508357 /nfs/dbraw/zinc/50/83/57/445508357.db2.gz DTIJYYZZXCSQDB-CABCVRRESA-N 2 2 349.479 1.096 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2nc[nH]c2n1 ZINC000349180384 445528430 /nfs/dbraw/zinc/52/84/30/445528430.db2.gz DIVAASXKCAKSLE-UHFFFAOYSA-N 2 2 330.436 1.056 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2nc[nH]c2n1 ZINC000349180384 445528432 /nfs/dbraw/zinc/52/84/32/445528432.db2.gz DIVAASXKCAKSLE-UHFFFAOYSA-N 2 2 330.436 1.056 20 0 EDADLP Cc1ccn2c(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cnc2c1 ZINC000362666235 445487336 /nfs/dbraw/zinc/48/73/36/445487336.db2.gz PROFOUTYZZVCHX-OAHLLOKOSA-N 2 2 327.432 1.039 20 0 EDADLP Cc1ccn2c(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cnc2c1 ZINC000362666235 445487340 /nfs/dbraw/zinc/48/73/40/445487340.db2.gz PROFOUTYZZVCHX-OAHLLOKOSA-N 2 2 327.432 1.039 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000349061990 445492310 /nfs/dbraw/zinc/49/23/10/445492310.db2.gz ZOOVWQWTQHSDNR-SFHVURJKSA-N 3 2 336.524 1.536 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000349061990 445492311 /nfs/dbraw/zinc/49/23/11/445492311.db2.gz ZOOVWQWTQHSDNR-SFHVURJKSA-N 3 2 336.524 1.536 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000359939833 445497126 /nfs/dbraw/zinc/49/71/26/445497126.db2.gz OMEZBZPXAFQKLB-BRWVUGGUSA-N 2 2 338.496 1.365 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000362683098 445497939 /nfs/dbraw/zinc/49/79/39/445497939.db2.gz JZUAFSMLDVZJCF-HNNXBMFYSA-N 2 2 347.850 1.384 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000362683098 445497944 /nfs/dbraw/zinc/49/79/44/445497944.db2.gz JZUAFSMLDVZJCF-HNNXBMFYSA-N 2 2 347.850 1.384 20 0 EDADLP COc1c(C)cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1C ZINC000362691211 445501917 /nfs/dbraw/zinc/50/19/17/445501917.db2.gz HTIHKCRBKLKEBF-KRWDZBQOSA-N 2 2 331.460 1.708 20 0 EDADLP COc1c(C)cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1C ZINC000362691211 445501919 /nfs/dbraw/zinc/50/19/19/445501919.db2.gz HTIHKCRBKLKEBF-KRWDZBQOSA-N 2 2 331.460 1.708 20 0 EDADLP CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cs1 ZINC000362693746 445503565 /nfs/dbraw/zinc/50/35/65/445503565.db2.gz NNNQBEPQJPYOCK-CQSZACIVSA-N 2 2 336.505 1.837 20 0 EDADLP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cs1 ZINC000362693746 445503567 /nfs/dbraw/zinc/50/35/67/445503567.db2.gz NNNQBEPQJPYOCK-CQSZACIVSA-N 2 2 336.505 1.837 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(Cl)c1 ZINC000362697418 445505881 /nfs/dbraw/zinc/50/58/81/445505881.db2.gz KLVNAQOOJWCCNW-AWEZNQCLSA-N 2 2 337.851 1.745 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c(Cl)c1 ZINC000362697418 445505885 /nfs/dbraw/zinc/50/58/85/445505885.db2.gz KLVNAQOOJWCCNW-AWEZNQCLSA-N 2 2 337.851 1.745 20 0 EDADLP Cn1cc(N2CC[C@@H]([NH2+][C@H]3CC[N@H+](CCc4ccccc4)C3)C2)cn1 ZINC000360080410 445556742 /nfs/dbraw/zinc/55/67/42/445556742.db2.gz WDVVJENXUOOPJU-RBUKOAKNSA-N 2 2 339.487 1.905 20 0 EDADLP Cn1cc(N2CC[C@@H]([NH2+][C@H]3CC[N@@H+](CCc4ccccc4)C3)C2)cn1 ZINC000360080410 445556747 /nfs/dbraw/zinc/55/67/47/445556747.db2.gz WDVVJENXUOOPJU-RBUKOAKNSA-N 2 2 339.487 1.905 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000353022311 445571739 /nfs/dbraw/zinc/57/17/39/445571739.db2.gz DUVIFFFTVLPLRV-KRWDZBQOSA-N 2 2 341.496 1.055 20 0 EDADLP C[NH+](C)Cc1ccc(CNc2cc[nH+]c(N3CCOCC3)n2)cc1F ZINC000353289602 445586582 /nfs/dbraw/zinc/58/65/82/445586582.db2.gz DSLBKDQWBHDBHH-UHFFFAOYSA-N 2 2 345.422 2.126 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](O)Cc1ccccc1 ZINC000362769408 445541454 /nfs/dbraw/zinc/54/14/54/445541454.db2.gz LFRYXPNTYAAKDK-LJQANCHMSA-N 2 2 347.503 1.465 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](O)Cc1ccccc1 ZINC000362769408 445541457 /nfs/dbraw/zinc/54/14/57/445541457.db2.gz LFRYXPNTYAAKDK-LJQANCHMSA-N 2 2 347.503 1.465 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000353467258 445614709 /nfs/dbraw/zinc/61/47/09/445614709.db2.gz LBRRJNPFJBLZRU-OLZOCXBDSA-N 2 2 335.452 1.405 20 0 EDADLP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000356097319 445619405 /nfs/dbraw/zinc/61/94/05/445619405.db2.gz UIZZEWYPTCDENZ-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CNC(=O)[C@]1([NH+](C)C)CCc2ccccc21)[NH+]1CCOCC1 ZINC000362956978 445626899 /nfs/dbraw/zinc/62/68/99/445626899.db2.gz AJKALCGNAMLKPD-BEFAXECRSA-N 2 2 331.460 1.227 20 0 EDADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000363014072 445649511 /nfs/dbraw/zinc/64/95/11/445649511.db2.gz RPCFRXUKEYMDHK-DOMZBBRYSA-N 2 2 326.437 1.976 20 0 EDADLP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000363014072 445649513 /nfs/dbraw/zinc/64/95/13/445649513.db2.gz RPCFRXUKEYMDHK-DOMZBBRYSA-N 2 2 326.437 1.976 20 0 EDADLP [NH3+]C1(C(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)CC1 ZINC000353584380 445666878 /nfs/dbraw/zinc/66/68/78/445666878.db2.gz ZZNUPIPOIPEXHV-UHFFFAOYSA-N 2 2 333.823 1.123 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000356220618 445682740 /nfs/dbraw/zinc/68/27/40/445682740.db2.gz JAKGFVWZRQYYIR-UKRRQHHQSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000356220618 445682743 /nfs/dbraw/zinc/68/27/43/445682743.db2.gz JAKGFVWZRQYYIR-UKRRQHHQSA-N 2 2 340.493 1.371 20 0 EDADLP CC(C)[N@@H+](CCO)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000356227609 445686644 /nfs/dbraw/zinc/68/66/44/445686644.db2.gz WFUKTJWETNLWJP-QGZVFWFLSA-N 2 2 333.476 1.595 20 0 EDADLP COC1CCC([N@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000360308609 445688764 /nfs/dbraw/zinc/68/87/64/445688764.db2.gz QDPTUZKYWCGVOZ-UHFFFAOYSA-N 2 2 341.496 1.103 20 0 EDADLP COC1CCC([N@@H+](C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000360308609 445688767 /nfs/dbraw/zinc/68/87/67/445688767.db2.gz QDPTUZKYWCGVOZ-UHFFFAOYSA-N 2 2 341.496 1.103 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCCOCC2)CC1 ZINC000363153656 445699363 /nfs/dbraw/zinc/69/93/63/445699363.db2.gz VUCSHSAQDKMSLH-UHFFFAOYSA-N 2 2 331.460 1.362 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCCOCC2)CC1 ZINC000363153656 445699367 /nfs/dbraw/zinc/69/93/67/445699367.db2.gz VUCSHSAQDKMSLH-UHFFFAOYSA-N 2 2 331.460 1.362 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000363160697 445701626 /nfs/dbraw/zinc/70/16/26/445701626.db2.gz JOUGKDAKOIZFHW-HOCLYGCPSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000363160697 445701630 /nfs/dbraw/zinc/70/16/30/445701630.db2.gz JOUGKDAKOIZFHW-HOCLYGCPSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H]1C[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000358699533 445725122 /nfs/dbraw/zinc/72/51/22/445725122.db2.gz XHSKCEBGLBANDL-NXHRZFHOSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H]1C[C@H](C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000358699533 445725125 /nfs/dbraw/zinc/72/51/25/445725125.db2.gz XHSKCEBGLBANDL-NXHRZFHOSA-N 2 2 331.460 1.392 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000353731046 445728685 /nfs/dbraw/zinc/72/86/85/445728685.db2.gz UECBLJOOBKFOSU-HUUCEWRRSA-N 2 2 337.468 1.068 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000356324697 445736284 /nfs/dbraw/zinc/73/62/84/445736284.db2.gz ZXWGESOOMKXADD-SJLPKXTDSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000356324697 445736287 /nfs/dbraw/zinc/73/62/87/445736287.db2.gz ZXWGESOOMKXADD-SJLPKXTDSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000356324697 445736290 /nfs/dbraw/zinc/73/62/90/445736290.db2.gz ZXWGESOOMKXADD-SJLPKXTDSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000356324697 445736292 /nfs/dbraw/zinc/73/62/92/445736292.db2.gz ZXWGESOOMKXADD-SJLPKXTDSA-N 2 2 337.508 1.724 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000356385943 445764534 /nfs/dbraw/zinc/76/45/34/445764534.db2.gz YURKTBYFZPKKEZ-QGZVFWFLSA-N 2 2 346.475 1.235 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000356385943 445764537 /nfs/dbraw/zinc/76/45/37/445764537.db2.gz YURKTBYFZPKKEZ-QGZVFWFLSA-N 2 2 346.475 1.235 20 0 EDADLP COCC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353946596 445822436 /nfs/dbraw/zinc/82/24/36/445822436.db2.gz IFAWPQJVLZGLAE-QCLGFWRNSA-N 2 2 337.508 1.865 20 0 EDADLP COCC[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353946596 445822438 /nfs/dbraw/zinc/82/24/38/445822438.db2.gz IFAWPQJVLZGLAE-QCLGFWRNSA-N 2 2 337.508 1.865 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000361517636 445798736 /nfs/dbraw/zinc/79/87/36/445798736.db2.gz FBDFPJROBNMBKE-HNNXBMFYSA-N 2 2 332.448 1.471 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)no2)CC[N@@H+]1Cc1ccccc1 ZINC000350464000 445832658 /nfs/dbraw/zinc/83/26/58/445832658.db2.gz WVOFRDSZFYPZJM-ZFWWWQNUSA-N 2 2 328.416 1.916 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)no2)CC[N@H+]1Cc1ccccc1 ZINC000350464000 445832663 /nfs/dbraw/zinc/83/26/63/445832663.db2.gz WVOFRDSZFYPZJM-ZFWWWQNUSA-N 2 2 328.416 1.916 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353907068 445807632 /nfs/dbraw/zinc/80/76/32/445807632.db2.gz WGXSFGBNXAYHST-MSOLQXFVSA-N 2 2 337.508 1.964 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353907068 445807634 /nfs/dbraw/zinc/80/76/34/445807634.db2.gz WGXSFGBNXAYHST-MSOLQXFVSA-N 2 2 337.508 1.964 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000350682994 445879200 /nfs/dbraw/zinc/87/92/00/445879200.db2.gz RDFNDKHBAIHCGL-UHFFFAOYSA-N 2 2 337.439 1.691 20 0 EDADLP C[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000359000645 445882084 /nfs/dbraw/zinc/88/20/84/445882084.db2.gz ZUOVJWMRSSAYCR-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000356607719 445882799 /nfs/dbraw/zinc/88/27/99/445882799.db2.gz XYLXESUQLVCWQC-WBVHZDCISA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000356607719 445882802 /nfs/dbraw/zinc/88/28/02/445882802.db2.gz XYLXESUQLVCWQC-WBVHZDCISA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000356607719 445882807 /nfs/dbraw/zinc/88/28/07/445882807.db2.gz XYLXESUQLVCWQC-WBVHZDCISA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000356607719 445882810 /nfs/dbraw/zinc/88/28/10/445882810.db2.gz XYLXESUQLVCWQC-WBVHZDCISA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353985647 445840612 /nfs/dbraw/zinc/84/06/12/445840612.db2.gz DGKPNVQZVWKJEX-WVDLQDBSSA-N 3 2 336.524 1.388 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000353985647 445840615 /nfs/dbraw/zinc/84/06/15/445840615.db2.gz DGKPNVQZVWKJEX-WVDLQDBSSA-N 3 2 336.524 1.388 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353985647 445840618 /nfs/dbraw/zinc/84/06/18/445840618.db2.gz DGKPNVQZVWKJEX-WVDLQDBSSA-N 3 2 336.524 1.388 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353985647 445840623 /nfs/dbraw/zinc/84/06/23/445840623.db2.gz DGKPNVQZVWKJEX-WVDLQDBSSA-N 3 2 336.524 1.388 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH+]1CCCC1 ZINC000361625017 445852959 /nfs/dbraw/zinc/85/29/59/445852959.db2.gz STNAGSFJUZIVCA-RBSFLKMASA-N 2 2 334.489 1.484 20 0 EDADLP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000356574167 445866038 /nfs/dbraw/zinc/86/60/38/445866038.db2.gz GZNQZLPEDORBAA-QGZVFWFLSA-N 2 2 347.507 1.322 20 0 EDADLP CC[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC[N@@H+]1C[C@H](C)O ZINC000363734731 445872577 /nfs/dbraw/zinc/87/25/77/445872577.db2.gz BMGMZJBBZFVGDH-ARFHVFGLSA-N 2 2 349.479 1.247 20 0 EDADLP CC[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC[N@H+]1C[C@H](C)O ZINC000363734731 445872580 /nfs/dbraw/zinc/87/25/80/445872580.db2.gz BMGMZJBBZFVGDH-ARFHVFGLSA-N 2 2 349.479 1.247 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOc3ccccc3)C2)CC1 ZINC000361767019 445927357 /nfs/dbraw/zinc/92/73/57/445927357.db2.gz LRBTVUQKBIZSBW-INIZCTEOSA-N 2 2 346.475 1.533 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOc3ccccc3)C2)CC1 ZINC000361767019 445927364 /nfs/dbraw/zinc/92/73/64/445927364.db2.gz LRBTVUQKBIZSBW-INIZCTEOSA-N 2 2 346.475 1.533 20 0 EDADLP CCc1nc(C[NH+]2C[C@@H]3CN(c4cc(C)[nH+]c(C)n4)C[C@H]3C2)no1 ZINC000361769581 445929440 /nfs/dbraw/zinc/92/94/40/445929440.db2.gz UBYSQLMWFVSUIM-ZIAGYGMSSA-N 2 2 328.420 1.607 20 0 EDADLP CCS(=O)(=O)CCCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000364540934 445931214 /nfs/dbraw/zinc/93/12/14/445931214.db2.gz RJDUBJLYJCJWGX-IXDOHACOSA-N 2 2 346.537 1.775 20 0 EDADLP CCS(=O)(=O)CCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000364540934 445931230 /nfs/dbraw/zinc/93/12/30/445931230.db2.gz RJDUBJLYJCJWGX-IXDOHACOSA-N 2 2 346.537 1.775 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000365981115 445941098 /nfs/dbraw/zinc/94/10/98/445941098.db2.gz DZZUHYZCPBMFNU-UIBIWLFHSA-N 2 2 345.491 2.090 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000365981115 445941100 /nfs/dbraw/zinc/94/11/00/445941100.db2.gz DZZUHYZCPBMFNU-UIBIWLFHSA-N 2 2 345.491 2.090 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1N1CCOCC1 ZINC000361745427 445912090 /nfs/dbraw/zinc/91/20/90/445912090.db2.gz RKTDCPDUICJNGF-QZTJIDSGSA-N 2 2 341.459 1.810 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1N1CCOCC1 ZINC000361745427 445912092 /nfs/dbraw/zinc/91/20/92/445912092.db2.gz RKTDCPDUICJNGF-QZTJIDSGSA-N 2 2 341.459 1.810 20 0 EDADLP CCNc1ncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000625560082 450427954 /nfs/dbraw/zinc/42/79/54/450427954.db2.gz JVFYZTCTNVTCHD-UHFFFAOYSA-N 2 2 339.509 1.673 20 0 EDADLP CCNc1ncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000625560082 450427957 /nfs/dbraw/zinc/42/79/57/450427957.db2.gz JVFYZTCTNVTCHD-UHFFFAOYSA-N 2 2 339.509 1.673 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000361751636 445916718 /nfs/dbraw/zinc/91/67/18/445916718.db2.gz OFHADDJCZSKLKY-HOTGVXAUSA-N 2 2 332.448 1.419 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000361751636 445916721 /nfs/dbraw/zinc/91/67/21/445916721.db2.gz OFHADDJCZSKLKY-HOTGVXAUSA-N 2 2 332.448 1.419 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNc2cccc(-n3cc[nH+]c3)n2)C[C@@H](C)O1 ZINC000361795001 445952210 /nfs/dbraw/zinc/95/22/10/445952210.db2.gz AYMOWISPFAWJNS-HUUCEWRRSA-N 2 2 329.448 2.567 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](CCS(=O)(=O)CCC)CC2)CC1 ZINC000369154301 445957005 /nfs/dbraw/zinc/95/70/05/445957005.db2.gz HGUUAECGIXKKDF-UHFFFAOYSA-N 2 2 345.553 1.303 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366009272 445959254 /nfs/dbraw/zinc/95/92/54/445959254.db2.gz RGUPHHIVAGUXIS-UONOGXRCSA-N 2 2 335.452 1.248 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366009272 445959258 /nfs/dbraw/zinc/95/92/58/445959258.db2.gz RGUPHHIVAGUXIS-UONOGXRCSA-N 2 2 335.452 1.248 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224702 446021709 /nfs/dbraw/zinc/02/17/09/446021709.db2.gz OSZODRDVIDNDGK-MAUKXSAKSA-N 3 2 336.524 1.534 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224702 446021715 /nfs/dbraw/zinc/02/17/15/446021715.db2.gz OSZODRDVIDNDGK-MAUKXSAKSA-N 3 2 336.524 1.534 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224702 446021719 /nfs/dbraw/zinc/02/17/19/446021719.db2.gz OSZODRDVIDNDGK-MAUKXSAKSA-N 3 2 336.524 1.534 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224702 446021724 /nfs/dbraw/zinc/02/17/24/446021724.db2.gz OSZODRDVIDNDGK-MAUKXSAKSA-N 3 2 336.524 1.534 20 0 EDADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369275337 446041477 /nfs/dbraw/zinc/04/14/77/446041477.db2.gz ALLXSBPJJBESCE-HKUYNNGSSA-N 3 2 344.503 1.574 20 0 EDADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369275337 446041482 /nfs/dbraw/zinc/04/14/82/446041482.db2.gz ALLXSBPJJBESCE-HKUYNNGSSA-N 3 2 344.503 1.574 20 0 EDADLP C[NH+](C)[C@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369275337 446041487 /nfs/dbraw/zinc/04/14/87/446041487.db2.gz ALLXSBPJJBESCE-HKUYNNGSSA-N 2 2 344.503 1.574 20 0 EDADLP Cc1cccc(NC2CCN(C(=O)NCc3c[nH+]cn3C)CC2)[nH+]1 ZINC000366087345 446003773 /nfs/dbraw/zinc/00/37/73/446003773.db2.gz JQVQRUJUQNYYHN-UHFFFAOYSA-N 2 2 328.420 1.910 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000583194210 326023349 /nfs/dbraw/zinc/02/33/49/326023349.db2.gz DTKIBLBSOFJNMG-QXSJWSMHSA-N 2 2 346.479 1.186 20 0 EDADLP CC(C)(C)c1cccc(OCC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000583274313 326040761 /nfs/dbraw/zinc/04/07/61/326040761.db2.gz WOZHRHAXVNWXGS-DOTOQJQBSA-N 2 2 331.460 1.607 20 0 EDADLP CC(C)(C)c1cccc(OCC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000583274313 326040765 /nfs/dbraw/zinc/04/07/65/326040765.db2.gz WOZHRHAXVNWXGS-DOTOQJQBSA-N 2 2 331.460 1.607 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000583692982 326120438 /nfs/dbraw/zinc/12/04/38/326120438.db2.gz SGKNTFCVJZJRES-PKOBYXMFSA-N 2 2 349.450 1.438 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000583692982 326120439 /nfs/dbraw/zinc/12/04/39/326120439.db2.gz SGKNTFCVJZJRES-PKOBYXMFSA-N 2 2 349.450 1.438 20 0 EDADLP CC1(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000583861121 326153877 /nfs/dbraw/zinc/15/38/77/326153877.db2.gz UWVJFAYYKHBTDN-QGZVFWFLSA-N 2 2 346.475 1.329 20 0 EDADLP CC1(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]CC1 ZINC000583861121 326153880 /nfs/dbraw/zinc/15/38/80/326153880.db2.gz UWVJFAYYKHBTDN-QGZVFWFLSA-N 2 2 346.475 1.329 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000583872457 326157453 /nfs/dbraw/zinc/15/74/53/326157453.db2.gz JTXUCNZLTCTRJI-HNNXBMFYSA-N 2 2 327.432 1.159 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000583872457 326157456 /nfs/dbraw/zinc/15/74/56/326157456.db2.gz JTXUCNZLTCTRJI-HNNXBMFYSA-N 2 2 327.432 1.159 20 0 EDADLP Cn1cc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ccc(F)cc21 ZINC000584281330 326233683 /nfs/dbraw/zinc/23/36/83/326233683.db2.gz ZQSWNQGWXKSJRN-HNNXBMFYSA-N 2 2 347.438 1.144 20 0 EDADLP Cn1cc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ccc(F)cc21 ZINC000584281330 326233685 /nfs/dbraw/zinc/23/36/85/326233685.db2.gz ZQSWNQGWXKSJRN-HNNXBMFYSA-N 2 2 347.438 1.144 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000361923315 446073058 /nfs/dbraw/zinc/07/30/58/446073058.db2.gz BRORLQAYLNGIAX-CVEARBPZSA-N 2 2 325.416 1.966 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000361923315 446073063 /nfs/dbraw/zinc/07/30/63/446073063.db2.gz BRORLQAYLNGIAX-CVEARBPZSA-N 2 2 325.416 1.966 20 0 EDADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359300729 446133896 /nfs/dbraw/zinc/13/38/96/446133896.db2.gz HPQUWNFAAROVRO-MGPQQGTHSA-N 2 2 344.484 1.794 20 0 EDADLP Cc1ccc([C@@H](CNc2cc[nH+]c(N(C)C)n2)[NH+]2CCOCC2)s1 ZINC000354351254 446134259 /nfs/dbraw/zinc/13/42/59/446134259.db2.gz BFVOWTXUIOROJS-CQSZACIVSA-N 2 2 347.488 2.398 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1)C1CC1 ZINC000351536019 446137130 /nfs/dbraw/zinc/13/71/30/446137130.db2.gz GEGSOTCWGKMOFQ-SFHVURJKSA-N 2 2 337.508 1.602 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1)C1CC1 ZINC000351536019 446137135 /nfs/dbraw/zinc/13/71/35/446137135.db2.gz GEGSOTCWGKMOFQ-SFHVURJKSA-N 2 2 337.508 1.602 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000369646130 446138390 /nfs/dbraw/zinc/13/83/90/446138390.db2.gz GFCMUNHSSCDZLY-PBHICJAKSA-N 2 2 342.443 2.422 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000369646130 446138396 /nfs/dbraw/zinc/13/83/96/446138396.db2.gz GFCMUNHSSCDZLY-PBHICJAKSA-N 2 2 342.443 2.422 20 0 EDADLP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369647191 446139101 /nfs/dbraw/zinc/13/91/01/446139101.db2.gz IWBZDEVWEVCHQN-IBGZPJMESA-N 3 2 348.535 1.488 20 0 EDADLP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369647191 446139106 /nfs/dbraw/zinc/13/91/06/446139106.db2.gz IWBZDEVWEVCHQN-IBGZPJMESA-N 3 2 348.535 1.488 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CC[NH+](Cc4ccsc4)CC3)C[C@H]12 ZINC000351488503 446089771 /nfs/dbraw/zinc/08/97/71/446089771.db2.gz GCQHTTDULXHCDZ-IXDOHACOSA-N 3 2 348.516 1.061 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)N3CC[NH+](Cc4ccsc4)CC3)C[C@H]12 ZINC000351488503 446089774 /nfs/dbraw/zinc/08/97/74/446089774.db2.gz GCQHTTDULXHCDZ-IXDOHACOSA-N 3 2 348.516 1.061 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3cccc(C(=O)NC4CC4)c3)C[C@@H]12 ZINC000351488129 446089894 /nfs/dbraw/zinc/08/98/94/446089894.db2.gz DSTHMUBPWPHXRI-KBRIMQKVSA-N 2 2 342.443 1.186 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(C(=O)NC4CC4)c3)C[C@@H]12 ZINC000351488129 446089898 /nfs/dbraw/zinc/08/98/98/446089898.db2.gz DSTHMUBPWPHXRI-KBRIMQKVSA-N 2 2 342.443 1.186 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC[NH+]1CCSCC1)[NH+]1CCOCC1 ZINC000359308559 446140037 /nfs/dbraw/zinc/14/00/37/446140037.db2.gz LYAGTMAZZNUUKS-MRXNPFEDSA-N 2 2 343.537 1.288 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365247994 446099735 /nfs/dbraw/zinc/09/97/35/446099735.db2.gz UHRYLSCQTMGQQC-BBRMVZONSA-N 2 2 331.464 1.844 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365247994 446099743 /nfs/dbraw/zinc/09/97/43/446099743.db2.gz UHRYLSCQTMGQQC-BBRMVZONSA-N 2 2 331.464 1.844 20 0 EDADLP CN(Cc1cscn1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369368453 446108401 /nfs/dbraw/zinc/10/84/01/446108401.db2.gz CRDKCZYUKZEGLO-CYBMUJFWSA-N 2 2 337.493 1.453 20 0 EDADLP CN(Cc1cscn1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369368453 446108405 /nfs/dbraw/zinc/10/84/05/446108405.db2.gz CRDKCZYUKZEGLO-CYBMUJFWSA-N 2 2 337.493 1.453 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000365261564 446108564 /nfs/dbraw/zinc/10/85/64/446108564.db2.gz XJJDGOVBHPFHOA-LSDHHAIUSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000365261564 446108571 /nfs/dbraw/zinc/10/85/71/446108571.db2.gz XJJDGOVBHPFHOA-LSDHHAIUSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369370584 446110812 /nfs/dbraw/zinc/11/08/12/446110812.db2.gz PYCNRCHECQBUTE-UONOGXRCSA-N 2 2 326.510 1.302 20 0 EDADLP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCS1 ZINC000369370584 446110822 /nfs/dbraw/zinc/11/08/22/446110822.db2.gz PYCNRCHECQBUTE-UONOGXRCSA-N 2 2 326.510 1.302 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351515397 446117247 /nfs/dbraw/zinc/11/72/47/446117247.db2.gz RZCOHWZQUVAVNJ-GOSISDBHSA-N 2 2 328.460 1.818 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351515397 446117253 /nfs/dbraw/zinc/11/72/53/446117253.db2.gz RZCOHWZQUVAVNJ-GOSISDBHSA-N 2 2 328.460 1.818 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359291947 446126068 /nfs/dbraw/zinc/12/60/68/446126068.db2.gz UASFWPNOYAHCQI-GASCZTMLSA-N 2 2 335.423 1.204 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359291947 446126073 /nfs/dbraw/zinc/12/60/73/446126073.db2.gz UASFWPNOYAHCQI-GASCZTMLSA-N 2 2 335.423 1.204 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354345748 446129387 /nfs/dbraw/zinc/12/93/87/446129387.db2.gz DIPKNOZQNVIJFH-ZWKOTPCHSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000354345748 446129390 /nfs/dbraw/zinc/12/93/90/446129390.db2.gz DIPKNOZQNVIJFH-ZWKOTPCHSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000354345748 446129398 /nfs/dbraw/zinc/12/93/98/446129398.db2.gz DIPKNOZQNVIJFH-ZWKOTPCHSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000354345748 446129407 /nfs/dbraw/zinc/12/94/07/446129407.db2.gz DIPKNOZQNVIJFH-ZWKOTPCHSA-N 2 2 337.508 1.724 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000359392188 446194923 /nfs/dbraw/zinc/19/49/23/446194923.db2.gz PFTLPYVWAJBLSG-AWEZNQCLSA-N 2 2 334.489 1.812 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000359392188 446194930 /nfs/dbraw/zinc/19/49/30/446194930.db2.gz PFTLPYVWAJBLSG-AWEZNQCLSA-N 2 2 334.489 1.812 20 0 EDADLP C[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C[NH+]1CCN(C)CC1 ZINC000370273564 446207578 /nfs/dbraw/zinc/20/75/78/446207578.db2.gz XOJIJVFQMJDUPE-HNNXBMFYSA-N 2 2 348.495 1.182 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373415716 446208013 /nfs/dbraw/zinc/20/80/13/446208013.db2.gz DNMBOXLXVMUXND-JXQTWKCFSA-N 2 2 349.397 1.239 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000373415716 446208018 /nfs/dbraw/zinc/20/80/18/446208018.db2.gz DNMBOXLXVMUXND-JXQTWKCFSA-N 2 2 349.397 1.239 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C[N@@H+]1C1CC1 ZINC000359418123 446211442 /nfs/dbraw/zinc/21/14/42/446211442.db2.gz YISANJVAVKJQCX-HUUCEWRRSA-N 2 2 348.491 1.846 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)C[N@H+]1C1CC1 ZINC000359418123 446211448 /nfs/dbraw/zinc/21/14/48/446211448.db2.gz YISANJVAVKJQCX-HUUCEWRRSA-N 2 2 348.491 1.846 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1 ZINC000370356223 446245050 /nfs/dbraw/zinc/24/50/50/446245050.db2.gz YVAAILHAAKCRCN-IAGOWNOFSA-N 2 2 333.501 1.939 20 0 EDADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000366516565 446245544 /nfs/dbraw/zinc/24/55/44/446245544.db2.gz LDCWMOBUXMEJNE-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000366516565 446245550 /nfs/dbraw/zinc/24/55/50/446245550.db2.gz LDCWMOBUXMEJNE-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366516565 446245553 /nfs/dbraw/zinc/24/55/53/446245553.db2.gz LDCWMOBUXMEJNE-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366516565 446245558 /nfs/dbraw/zinc/24/55/58/446245558.db2.gz LDCWMOBUXMEJNE-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(CC)CC(=O)NC(C)C)C1 ZINC000362189035 446252958 /nfs/dbraw/zinc/25/29/58/446252958.db2.gz UXGJWPCEYVVRSU-MRXNPFEDSA-N 2 2 340.512 1.023 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(CC)CC(=O)NC(C)C)C1 ZINC000362189035 446252962 /nfs/dbraw/zinc/25/29/62/446252962.db2.gz UXGJWPCEYVVRSU-MRXNPFEDSA-N 2 2 340.512 1.023 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CC)CC(=O)NC(C)C)C1 ZINC000362189035 446252968 /nfs/dbraw/zinc/25/29/68/446252968.db2.gz UXGJWPCEYVVRSU-MRXNPFEDSA-N 2 2 340.512 1.023 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CC)CC(=O)NC(C)C)C1 ZINC000362189035 446252973 /nfs/dbraw/zinc/25/29/73/446252973.db2.gz UXGJWPCEYVVRSU-MRXNPFEDSA-N 2 2 340.512 1.023 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[N@H+](CC)C3)CC1 ZINC000362197197 446257228 /nfs/dbraw/zinc/25/72/28/446257228.db2.gz DMSMXYUNIYJXNZ-UHFFFAOYSA-N 2 2 344.459 1.167 20 0 EDADLP CC[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CC[N@@H+](CC)C3)CC1 ZINC000362197197 446257234 /nfs/dbraw/zinc/25/72/34/446257234.db2.gz DMSMXYUNIYJXNZ-UHFFFAOYSA-N 2 2 344.459 1.167 20 0 EDADLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000366635257 446288816 /nfs/dbraw/zinc/28/88/16/446288816.db2.gz XCKDQMWJOGGXFX-ZTFGCOKTSA-N 2 2 328.460 1.645 20 0 EDADLP CCc1nc(C[N@H+]2C[C@H]3CN(c4cc(C)[nH+]c(CC)n4)C[C@H]3C2)no1 ZINC000376117711 446341970 /nfs/dbraw/zinc/34/19/70/446341970.db2.gz SFGNGMNIKYWIEH-OKILXGFUSA-N 2 2 342.447 1.861 20 0 EDADLP CCc1nc(C[N@@H+]2C[C@H]3CN(c4cc(C)[nH+]c(CC)n4)C[C@H]3C2)no1 ZINC000376117711 446341973 /nfs/dbraw/zinc/34/19/73/446341973.db2.gz SFGNGMNIKYWIEH-OKILXGFUSA-N 2 2 342.447 1.861 20 0 EDADLP CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000417518276 446360349 /nfs/dbraw/zinc/36/03/49/446360349.db2.gz KJXXJYOQDWSQPD-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417516688 446360790 /nfs/dbraw/zinc/36/07/90/446360790.db2.gz OIRBNJMQYPVYAB-RDJZCZTQSA-N 2 2 334.464 1.487 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417516688 446360793 /nfs/dbraw/zinc/36/07/93/446360793.db2.gz OIRBNJMQYPVYAB-RDJZCZTQSA-N 2 2 334.464 1.487 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366819620 446368620 /nfs/dbraw/zinc/36/86/20/446368620.db2.gz AQDJRVNBUDBVOQ-CVEARBPZSA-N 2 2 325.416 1.872 20 0 EDADLP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(C)c(C)[nH+]1 ZINC000376208296 446381382 /nfs/dbraw/zinc/38/13/82/446381382.db2.gz RTMACGUDHZYYJL-MQVJKMGUSA-N 2 2 331.464 1.897 20 0 EDADLP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(C)c(C)[nH+]1 ZINC000376208296 446381386 /nfs/dbraw/zinc/38/13/86/446381386.db2.gz RTMACGUDHZYYJL-MQVJKMGUSA-N 2 2 331.464 1.897 20 0 EDADLP NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000365881992 446386076 /nfs/dbraw/zinc/38/60/76/446386076.db2.gz APQXDHSXNXRHQV-XHSDSOJGSA-N 2 2 325.416 1.886 20 0 EDADLP NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000365881992 446386081 /nfs/dbraw/zinc/38/60/81/446386081.db2.gz APQXDHSXNXRHQV-XHSDSOJGSA-N 2 2 325.416 1.886 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000431797959 446434672 /nfs/dbraw/zinc/43/46/72/446434672.db2.gz GBKZLMBEORPMEJ-UKRRQHHQSA-N 2 2 347.463 1.831 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000431797959 446434679 /nfs/dbraw/zinc/43/46/79/446434679.db2.gz GBKZLMBEORPMEJ-UKRRQHHQSA-N 2 2 347.463 1.831 20 0 EDADLP O=C([C@@H]1CCC[N@H+](Cc2nc(C3CCCC3)no2)C1)N1CC[NH2+]CC1 ZINC000420281279 446448402 /nfs/dbraw/zinc/44/84/02/446448402.db2.gz AGBNKAMKMOSVPO-OAHLLOKOSA-N 2 2 347.463 1.371 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1)N1CC[NH2+]CC1 ZINC000420281279 446448410 /nfs/dbraw/zinc/44/84/10/446448410.db2.gz AGBNKAMKMOSVPO-OAHLLOKOSA-N 2 2 347.463 1.371 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)CCc3c[nH+]cn3C)CC2)[nH+]1 ZINC000370718210 446402637 /nfs/dbraw/zinc/40/26/37/446402637.db2.gz ATSDOATZGBCWBE-UHFFFAOYSA-N 2 2 327.432 1.841 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417984200 446406853 /nfs/dbraw/zinc/40/68/53/446406853.db2.gz CXRBXTFZPGNHJF-DVJZZOLTSA-N 2 2 344.381 1.886 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417984200 446406860 /nfs/dbraw/zinc/40/68/60/446406860.db2.gz CXRBXTFZPGNHJF-DVJZZOLTSA-N 2 2 344.381 1.886 20 0 EDADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000370731350 446407484 /nfs/dbraw/zinc/40/74/84/446407484.db2.gz WALAHSLRHCQQQO-OIISXLGYSA-N 2 2 336.480 1.118 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000370731350 446407485 /nfs/dbraw/zinc/40/74/85/446407485.db2.gz WALAHSLRHCQQQO-OIISXLGYSA-N 2 2 336.480 1.118 20 0 EDADLP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000370731350 446407486 /nfs/dbraw/zinc/40/74/86/446407486.db2.gz WALAHSLRHCQQQO-OIISXLGYSA-N 2 2 336.480 1.118 20 0 EDADLP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000370731350 446407487 /nfs/dbraw/zinc/40/74/87/446407487.db2.gz WALAHSLRHCQQQO-OIISXLGYSA-N 2 2 336.480 1.118 20 0 EDADLP COc1ccc2c(c1)OCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000374855585 446420037 /nfs/dbraw/zinc/42/00/37/446420037.db2.gz LEBHBXSTKDSFDB-UHFFFAOYSA-N 2 2 333.432 1.054 20 0 EDADLP COc1ccc2c(c1)OCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000374855585 446420041 /nfs/dbraw/zinc/42/00/41/446420041.db2.gz LEBHBXSTKDSFDB-UHFFFAOYSA-N 2 2 333.432 1.054 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[NH+]1CCN(C)CC1 ZINC000625571115 450431641 /nfs/dbraw/zinc/43/16/41/450431641.db2.gz RBBBCJITCVKZOZ-YTQUADARSA-N 2 2 344.503 1.084 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[NH+]1CCN(C)CC1 ZINC000625571115 450431644 /nfs/dbraw/zinc/43/16/44/450431644.db2.gz RBBBCJITCVKZOZ-YTQUADARSA-N 2 2 344.503 1.084 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374912400 446454848 /nfs/dbraw/zinc/45/48/48/446454848.db2.gz KGXKVSHHUVFUBZ-KRWDZBQOSA-N 3 2 347.507 1.808 20 0 EDADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000374912400 446454854 /nfs/dbraw/zinc/45/48/54/446454854.db2.gz KGXKVSHHUVFUBZ-KRWDZBQOSA-N 3 2 347.507 1.808 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000420300035 446461952 /nfs/dbraw/zinc/46/19/52/446461952.db2.gz GYMSVRXPQHSTCU-HKUYNNGSSA-N 2 2 339.439 1.650 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000420300035 446461959 /nfs/dbraw/zinc/46/19/59/446461959.db2.gz GYMSVRXPQHSTCU-HKUYNNGSSA-N 2 2 339.439 1.650 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420307830 446469207 /nfs/dbraw/zinc/46/92/07/446469207.db2.gz MTFZZZNQJRESSJ-XUXIUFHCSA-N 2 2 333.432 1.658 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420307830 446469212 /nfs/dbraw/zinc/46/92/12/446469212.db2.gz MTFZZZNQJRESSJ-XUXIUFHCSA-N 2 2 333.432 1.658 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)[C@H](C)[NH3+] ZINC000423324069 446487809 /nfs/dbraw/zinc/48/78/09/446487809.db2.gz HVJXBKGEYKTSNN-ZXFNITATSA-N 2 2 348.491 1.931 20 0 EDADLP COC(=O)c1cn(CC[NH2+]C2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000367053590 446491668 /nfs/dbraw/zinc/49/16/68/446491668.db2.gz GHCLLLCKWRUSAY-UHFFFAOYSA-N 2 2 349.460 1.380 20 0 EDADLP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000367060860 446496274 /nfs/dbraw/zinc/49/62/74/446496274.db2.gz DPOJDCDEECXQPN-MRXNPFEDSA-N 2 2 344.521 1.246 20 0 EDADLP C[C@H]1CN(CC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)CCO1 ZINC000367058058 446494116 /nfs/dbraw/zinc/49/41/16/446494116.db2.gz PNFXMXUDYHHWCW-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H]1CN(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)CCO1 ZINC000367058058 446494119 /nfs/dbraw/zinc/49/41/19/446494119.db2.gz PNFXMXUDYHHWCW-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H]1CN(CC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CCO1 ZINC000367058058 446494125 /nfs/dbraw/zinc/49/41/25/446494125.db2.gz PNFXMXUDYHHWCW-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@H]1CN(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CCO1 ZINC000367058058 446494131 /nfs/dbraw/zinc/49/41/31/446494131.db2.gz PNFXMXUDYHHWCW-JENIJYKNSA-N 2 2 349.523 1.456 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[N@@H+]1CCc2sccc2C1 ZINC000423340146 446494299 /nfs/dbraw/zinc/49/42/99/446494299.db2.gz XCWRXQJKHPQONG-HZMBPMFUSA-N 2 2 336.486 1.767 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[N@H+]1CCc2sccc2C1 ZINC000423340146 446494302 /nfs/dbraw/zinc/49/43/02/446494302.db2.gz XCWRXQJKHPQONG-HZMBPMFUSA-N 2 2 336.486 1.767 20 0 EDADLP C[NH2+]CCNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000418338662 446507290 /nfs/dbraw/zinc/50/72/90/446507290.db2.gz ZEZOSKYWARUKEN-MRXNPFEDSA-N 2 2 334.464 1.138 20 0 EDADLP CCc1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)CC2 ZINC000375006719 446509339 /nfs/dbraw/zinc/50/93/39/446509339.db2.gz WDWXGZVVCFOEEX-HNNXBMFYSA-N 2 2 349.479 1.163 20 0 EDADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418319053 446497396 /nfs/dbraw/zinc/49/73/96/446497396.db2.gz QNARFKGFSKFEIM-INIZCTEOSA-N 2 2 340.418 1.963 20 0 EDADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000418477693 446558609 /nfs/dbraw/zinc/55/86/09/446558609.db2.gz VUAGLDXMBXCSCU-BPNCWPANSA-N 2 2 341.431 1.098 20 0 EDADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000418477693 446558615 /nfs/dbraw/zinc/55/86/15/446558615.db2.gz VUAGLDXMBXCSCU-BPNCWPANSA-N 2 2 341.431 1.098 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420389075 446564658 /nfs/dbraw/zinc/56/46/58/446564658.db2.gz LXLUYUSWHWTOSA-GOSISDBHSA-N 2 2 349.475 1.182 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420389075 446564659 /nfs/dbraw/zinc/56/46/59/446564659.db2.gz LXLUYUSWHWTOSA-GOSISDBHSA-N 2 2 349.475 1.182 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418374514 446519911 /nfs/dbraw/zinc/51/99/11/446519911.db2.gz CUIVLLGMUUJJLG-MRXNPFEDSA-N 2 2 327.432 1.825 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420358417 446537747 /nfs/dbraw/zinc/53/77/47/446537747.db2.gz ISGUTVDXTSWROJ-KRWDZBQOSA-N 3 2 332.492 1.294 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420358417 446537752 /nfs/dbraw/zinc/53/77/52/446537752.db2.gz ISGUTVDXTSWROJ-KRWDZBQOSA-N 2 2 332.492 1.294 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)C(=O)OC ZINC000420358120 446538397 /nfs/dbraw/zinc/53/83/97/446538397.db2.gz DZQNDLZJFPHQDF-DUVNUKRYSA-N 2 2 327.469 1.188 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420358419 446538428 /nfs/dbraw/zinc/53/84/28/446538428.db2.gz ISGUTVDXTSWROJ-QGZVFWFLSA-N 3 2 332.492 1.294 20 0 EDADLP CC(C)(C)[C@@H](C[NH3+])NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000420358419 446538433 /nfs/dbraw/zinc/53/84/33/446538433.db2.gz ISGUTVDXTSWROJ-QGZVFWFLSA-N 2 2 332.492 1.294 20 0 EDADLP CCC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000453153071 446548578 /nfs/dbraw/zinc/54/85/78/446548578.db2.gz YNPOMYDERYRDDT-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000453170505 446549335 /nfs/dbraw/zinc/54/93/35/446549335.db2.gz GPCYTVFJEITPBP-LZQZEXGQSA-N 2 2 326.444 1.633 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000453170505 446549339 /nfs/dbraw/zinc/54/93/39/446549339.db2.gz GPCYTVFJEITPBP-LZQZEXGQSA-N 2 2 326.444 1.633 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCC(F)(F)C[NH3+] ZINC000418507084 446571723 /nfs/dbraw/zinc/57/17/23/446571723.db2.gz AXSGICYMSYRMOX-UHFFFAOYSA-N 2 2 337.374 1.667 20 0 EDADLP CCc1nc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc(C)[nH+]1 ZINC000367728504 446580722 /nfs/dbraw/zinc/58/07/22/446580722.db2.gz MAKWCOUXDRVXDR-KDOFPFPSSA-N 2 2 328.464 2.576 20 0 EDADLP CCc1nc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc(C)[nH+]1 ZINC000367728504 446580729 /nfs/dbraw/zinc/58/07/29/446580729.db2.gz MAKWCOUXDRVXDR-KDOFPFPSSA-N 2 2 328.464 2.576 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)C1(C[NH3+])CCC1)CC2 ZINC000423694649 446644767 /nfs/dbraw/zinc/64/47/67/446644767.db2.gz GGHJKZMBVPNGLT-UHFFFAOYSA-N 2 2 347.459 1.402 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)C1(C[NH3+])CCC1)CC2 ZINC000423694649 446644771 /nfs/dbraw/zinc/64/47/71/446644771.db2.gz GGHJKZMBVPNGLT-UHFFFAOYSA-N 2 2 347.459 1.402 20 0 EDADLP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418727315 446656110 /nfs/dbraw/zinc/65/61/10/446656110.db2.gz MLQDKAGSHZGHIC-AWEZNQCLSA-N 2 2 332.439 1.605 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418728536 446656427 /nfs/dbraw/zinc/65/64/27/446656427.db2.gz NHCUSMDTBSIXMF-HUUCEWRRSA-N 2 2 344.450 1.891 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)C(C)(C)n1cncn1 ZINC000368126131 446656892 /nfs/dbraw/zinc/65/68/92/446656892.db2.gz OWMQIXQMROAKBB-UXLLHSPISA-N 2 2 345.495 1.808 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)C(C)(C)n1cncn1 ZINC000368126131 446656899 /nfs/dbraw/zinc/65/68/99/446656899.db2.gz OWMQIXQMROAKBB-UXLLHSPISA-N 2 2 345.495 1.808 20 0 EDADLP COC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371161462 446663856 /nfs/dbraw/zinc/66/38/56/446663856.db2.gz WMPBICDFXBOKFW-OAHLLOKOSA-N 3 2 325.497 1.676 20 0 EDADLP COC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371161462 446663862 /nfs/dbraw/zinc/66/38/62/446663862.db2.gz WMPBICDFXBOKFW-OAHLLOKOSA-N 3 2 325.497 1.676 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418643639 446630651 /nfs/dbraw/zinc/63/06/51/446630651.db2.gz BKBCMLLYVFWOCR-ZFWWWQNUSA-N 2 2 340.418 1.793 20 0 EDADLP CC(C)(C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]([NH3+])c1ccccc1 ZINC000423756044 446685805 /nfs/dbraw/zinc/68/58/05/446685805.db2.gz KRYFGSQYACMCNO-IAGOWNOFSA-N 2 2 331.460 1.692 20 0 EDADLP CC(C)(C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]([NH3+])c1ccccc1 ZINC000423756044 446685810 /nfs/dbraw/zinc/68/58/10/446685810.db2.gz KRYFGSQYACMCNO-IAGOWNOFSA-N 2 2 331.460 1.692 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423763761 446693140 /nfs/dbraw/zinc/69/31/40/446693140.db2.gz WLONAAHKKJINDV-MRXNPFEDSA-N 2 2 340.418 1.061 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423763761 446693142 /nfs/dbraw/zinc/69/31/42/446693142.db2.gz WLONAAHKKJINDV-MRXNPFEDSA-N 2 2 340.418 1.061 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000418775282 446694354 /nfs/dbraw/zinc/69/43/54/446694354.db2.gz WHHVMRMJLZGLAR-AWEZNQCLSA-N 2 2 344.450 1.891 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423810789 446700386 /nfs/dbraw/zinc/70/03/86/446700386.db2.gz BLTVDASVNGFRQQ-PJODQICGSA-N 2 2 343.830 1.704 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423810789 446700393 /nfs/dbraw/zinc/70/03/93/446700393.db2.gz BLTVDASVNGFRQQ-PJODQICGSA-N 2 2 343.830 1.704 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000368196895 446702359 /nfs/dbraw/zinc/70/23/59/446702359.db2.gz YROALPCDPWDZSB-QGZVFWFLSA-N 2 2 341.459 1.926 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000423813733 446703891 /nfs/dbraw/zinc/70/38/91/446703891.db2.gz SGJSWXVQEDACTJ-HZPDHXFCSA-N 2 2 347.459 1.346 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCCSC1 ZINC000371231297 446705063 /nfs/dbraw/zinc/70/50/63/446705063.db2.gz VMEJZALTHXGTFP-MRXNPFEDSA-N 2 2 329.510 1.041 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCCSC1 ZINC000371231297 446705067 /nfs/dbraw/zinc/70/50/67/446705067.db2.gz VMEJZALTHXGTFP-MRXNPFEDSA-N 2 2 329.510 1.041 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC3CCC([NH+](C)C)CC3)[nH+]cn2)C1 ZINC000420634054 446713224 /nfs/dbraw/zinc/71/32/24/446713224.db2.gz ZCJABFPNAQVMQM-QRNKSROTSA-N 2 2 333.480 1.968 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC3CCC([NH+](C)C)CC3)nc[nH+]2)C1 ZINC000420634054 446713233 /nfs/dbraw/zinc/71/32/33/446713233.db2.gz ZCJABFPNAQVMQM-QRNKSROTSA-N 2 2 333.480 1.968 20 0 EDADLP O[C@@H]1C[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[N@H+](Cc2ccccc2)C1 ZINC000368227188 446723112 /nfs/dbraw/zinc/72/31/12/446723112.db2.gz OWMGLWZGOYPJBY-DLBZAZTESA-N 2 2 337.427 1.635 20 0 EDADLP O[C@@H]1C[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[N@@H+](Cc2ccccc2)C1 ZINC000368227188 446723115 /nfs/dbraw/zinc/72/31/15/446723115.db2.gz OWMGLWZGOYPJBY-DLBZAZTESA-N 2 2 337.427 1.635 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000376800899 446727769 /nfs/dbraw/zinc/72/77/69/446727769.db2.gz DKNPEAYRTJEKCC-RDJZCZTQSA-N 2 2 335.448 1.642 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000376800899 446727776 /nfs/dbraw/zinc/72/77/76/446727776.db2.gz DKNPEAYRTJEKCC-RDJZCZTQSA-N 2 2 335.448 1.642 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371189470 446681682 /nfs/dbraw/zinc/68/16/82/446681682.db2.gz SWOHYSPWEXVEAW-SQNIBIBYSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371189470 446681689 /nfs/dbraw/zinc/68/16/89/446681689.db2.gz SWOHYSPWEXVEAW-SQNIBIBYSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1ccn2cc(CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[nH+]c2c1 ZINC000418850277 446751348 /nfs/dbraw/zinc/75/13/48/446751348.db2.gz PXEIFYPNDDAJSP-OAHLLOKOSA-N 2 2 345.447 1.091 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371353361 446799245 /nfs/dbraw/zinc/79/92/45/446799245.db2.gz NIMLVPYGHQOFHD-IKGGRYGDSA-N 2 2 343.475 1.976 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000371353361 446799252 /nfs/dbraw/zinc/79/92/52/446799252.db2.gz NIMLVPYGHQOFHD-IKGGRYGDSA-N 2 2 343.475 1.976 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1C ZINC000437791907 446758734 /nfs/dbraw/zinc/75/87/34/446758734.db2.gz IESSOJMYLBRFHU-DOTOQJQBSA-N 2 2 334.464 1.589 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1C ZINC000437791907 446758740 /nfs/dbraw/zinc/75/87/40/446758740.db2.gz IESSOJMYLBRFHU-DOTOQJQBSA-N 2 2 334.464 1.589 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1C ZINC000437791907 446758744 /nfs/dbraw/zinc/75/87/44/446758744.db2.gz IESSOJMYLBRFHU-DOTOQJQBSA-N 2 2 334.464 1.589 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1C ZINC000437791907 446758749 /nfs/dbraw/zinc/75/87/49/446758749.db2.gz IESSOJMYLBRFHU-DOTOQJQBSA-N 2 2 334.464 1.589 20 0 EDADLP COC[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423913279 446763328 /nfs/dbraw/zinc/76/33/28/446763328.db2.gz JTJHPNIZPVVFPJ-OBJOEFQTSA-N 2 2 329.441 1.093 20 0 EDADLP COC[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423913279 446763337 /nfs/dbraw/zinc/76/33/37/446763337.db2.gz JTJHPNIZPVVFPJ-OBJOEFQTSA-N 2 2 329.441 1.093 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000423924897 446775016 /nfs/dbraw/zinc/77/50/16/446775016.db2.gz ZQTCKYLYEZHDIE-SYAUCNOPSA-N 2 2 339.459 1.164 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000423924897 446775021 /nfs/dbraw/zinc/77/50/21/446775021.db2.gz ZQTCKYLYEZHDIE-SYAUCNOPSA-N 2 2 339.459 1.164 20 0 EDADLP [NH3+]C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000423967960 446800629 /nfs/dbraw/zinc/80/06/29/446800629.db2.gz UBMNFGUQJVOBGH-GOSISDBHSA-N 2 2 331.460 1.766 20 0 EDADLP C[C@H](C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)[C@@H]([NH3+])c1ccccc1 ZINC000423884063 446742106 /nfs/dbraw/zinc/74/21/06/446742106.db2.gz YCWIZHNAOTWZLF-KFKAGJAMSA-N 2 2 345.487 1.892 20 0 EDADLP C[C@H](C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)[C@@H]([NH3+])c1ccccc1 ZINC000423884063 446742113 /nfs/dbraw/zinc/74/21/13/446742113.db2.gz YCWIZHNAOTWZLF-KFKAGJAMSA-N 2 2 345.487 1.892 20 0 EDADLP Cc1cc[nH+]c(N2CCO[C@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C2)c1 ZINC000418934663 446810273 /nfs/dbraw/zinc/81/02/73/446810273.db2.gz JZLYREJYTBJWCH-OAHLLOKOSA-N 2 2 335.448 1.869 20 0 EDADLP Cc1cc[nH+]c(N2CCO[C@H](C[N@H+](C)CC(=O)OC(C)(C)C)C2)c1 ZINC000418934663 446810277 /nfs/dbraw/zinc/81/02/77/446810277.db2.gz JZLYREJYTBJWCH-OAHLLOKOSA-N 2 2 335.448 1.869 20 0 EDADLP CN(C(=O)NCC1(C2CC2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368359870 446811375 /nfs/dbraw/zinc/81/13/75/446811375.db2.gz FTRHAHRQXQPKSP-KRWDZBQOSA-N 2 2 334.508 1.987 20 0 EDADLP CN(C(=O)NCC1(C2CC2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368359870 446811383 /nfs/dbraw/zinc/81/13/83/446811383.db2.gz FTRHAHRQXQPKSP-KRWDZBQOSA-N 2 2 334.508 1.987 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000423992822 446812853 /nfs/dbraw/zinc/81/28/53/446812853.db2.gz KHKMXAWQUUVXJT-ZOBUZTSGSA-N 2 2 331.464 1.143 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000423992822 446812861 /nfs/dbraw/zinc/81/28/61/446812861.db2.gz KHKMXAWQUUVXJT-ZOBUZTSGSA-N 2 2 331.464 1.143 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000454231020 446817559 /nfs/dbraw/zinc/81/75/59/446817559.db2.gz SODNJECGJAIRLW-GJZGRUSLSA-N 2 2 337.468 1.620 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423978902 446803773 /nfs/dbraw/zinc/80/37/73/446803773.db2.gz XHVDJLVTVGAOPG-MRXNPFEDSA-N 2 2 334.464 1.039 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423978902 446803778 /nfs/dbraw/zinc/80/37/78/446803778.db2.gz XHVDJLVTVGAOPG-MRXNPFEDSA-N 2 2 334.464 1.039 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000368416645 446849637 /nfs/dbraw/zinc/84/96/37/446849637.db2.gz LVGYOPMYGQVWOJ-MCIONIFRSA-N 2 2 338.477 1.561 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000368416645 446849639 /nfs/dbraw/zinc/84/96/39/446849639.db2.gz LVGYOPMYGQVWOJ-MCIONIFRSA-N 2 2 338.477 1.561 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000418996907 446854308 /nfs/dbraw/zinc/85/43/08/446854308.db2.gz FONXKHFBEQEEQZ-MRXNPFEDSA-N 2 2 346.475 1.135 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000418996907 446854316 /nfs/dbraw/zinc/85/43/16/446854316.db2.gz FONXKHFBEQEEQZ-MRXNPFEDSA-N 2 2 346.475 1.135 20 0 EDADLP Cc1cc(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc(C)[nH+]1 ZINC000420858307 446858369 /nfs/dbraw/zinc/85/83/69/446858369.db2.gz FOUIDMYIKHLUPY-UHFFFAOYSA-N 2 2 333.480 1.524 20 0 EDADLP Cc1cc(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc(C)[nH+]1 ZINC000420858307 446858376 /nfs/dbraw/zinc/85/83/76/446858376.db2.gz FOUIDMYIKHLUPY-UHFFFAOYSA-N 2 2 333.480 1.524 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(=O)[nH]1 ZINC000371462902 446871284 /nfs/dbraw/zinc/87/12/84/446871284.db2.gz GFASIJDKKIAXIQ-AWEZNQCLSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(=O)[nH]1 ZINC000371462902 446871288 /nfs/dbraw/zinc/87/12/88/446871288.db2.gz GFASIJDKKIAXIQ-AWEZNQCLSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(=O)[nH]1 ZINC000371462903 446871388 /nfs/dbraw/zinc/87/13/88/446871388.db2.gz GFASIJDKKIAXIQ-CQSZACIVSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(=O)[nH]1 ZINC000371462903 446871395 /nfs/dbraw/zinc/87/13/95/446871395.db2.gz GFASIJDKKIAXIQ-CQSZACIVSA-N 2 2 332.448 1.336 20 0 EDADLP C[C@H]1CN(C(=O)CCc2ccncc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371461085 446872241 /nfs/dbraw/zinc/87/22/41/446872241.db2.gz VHIKAJJPFQGZRV-INIZCTEOSA-N 2 2 330.476 1.641 20 0 EDADLP C[C@H]1CN(C(=O)CCc2ccncc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371461085 446872246 /nfs/dbraw/zinc/87/22/46/446872246.db2.gz VHIKAJJPFQGZRV-INIZCTEOSA-N 2 2 330.476 1.641 20 0 EDADLP COc1cccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000371466341 446873721 /nfs/dbraw/zinc/87/37/21/446873721.db2.gz NONBWERRPCMGEJ-HNNXBMFYSA-N 2 2 331.460 1.936 20 0 EDADLP COc1cccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000371466341 446873727 /nfs/dbraw/zinc/87/37/27/446873727.db2.gz NONBWERRPCMGEJ-HNNXBMFYSA-N 2 2 331.460 1.936 20 0 EDADLP OCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000420923597 446891702 /nfs/dbraw/zinc/89/17/02/446891702.db2.gz QOUBTWBACYUXOT-UHFFFAOYSA-N 2 2 334.460 1.492 20 0 EDADLP OCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000420923597 446891705 /nfs/dbraw/zinc/89/17/05/446891705.db2.gz QOUBTWBACYUXOT-UHFFFAOYSA-N 2 2 334.460 1.492 20 0 EDADLP COCC[C@@]1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCOC1 ZINC000420924724 446894631 /nfs/dbraw/zinc/89/46/31/446894631.db2.gz UHLILEKYTKCVBC-LJQANCHMSA-N 2 2 334.460 1.804 20 0 EDADLP CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420932477 446905132 /nfs/dbraw/zinc/90/51/32/446905132.db2.gz HEKXCVYMZRMMMX-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420932477 446905137 /nfs/dbraw/zinc/90/51/37/446905137.db2.gz HEKXCVYMZRMMMX-SFHVURJKSA-N 2 2 331.460 1.619 20 0 EDADLP OCC[C@@H]1CSCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420938700 446911576 /nfs/dbraw/zinc/91/15/76/446911576.db2.gz PJWIEIBAWXJYKS-GOSISDBHSA-N 2 2 336.501 1.819 20 0 EDADLP OCC[C@@H]1CSCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420938700 446911582 /nfs/dbraw/zinc/91/15/82/446911582.db2.gz PJWIEIBAWXJYKS-GOSISDBHSA-N 2 2 336.501 1.819 20 0 EDADLP CC[N@H+](Cc1cn(C)nn1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420955555 446926969 /nfs/dbraw/zinc/92/69/69/446926969.db2.gz XXQSCERMTXHNAQ-UHFFFAOYSA-N 2 2 329.448 1.669 20 0 EDADLP CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420955555 446926975 /nfs/dbraw/zinc/92/69/75/446926975.db2.gz XXQSCERMTXHNAQ-UHFFFAOYSA-N 2 2 329.448 1.669 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ncnn3CCF)CC2)C[C@H](C)O1 ZINC000375619099 446928220 /nfs/dbraw/zinc/92/82/20/446928220.db2.gz CLOOGTCSZOPNMZ-GASCZTMLSA-N 2 2 339.459 1.569 20 0 EDADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ncnn3CCF)CC2)C[C@H](C)O1 ZINC000375619099 446928230 /nfs/dbraw/zinc/92/82/30/446928230.db2.gz CLOOGTCSZOPNMZ-GASCZTMLSA-N 2 2 339.459 1.569 20 0 EDADLP C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959600 446930884 /nfs/dbraw/zinc/93/08/84/446930884.db2.gz GSPCTHSFRUYWCY-VQIMIIECSA-N 2 2 334.460 1.491 20 0 EDADLP C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959600 446930889 /nfs/dbraw/zinc/93/08/89/446930889.db2.gz GSPCTHSFRUYWCY-VQIMIIECSA-N 2 2 334.460 1.491 20 0 EDADLP O=C1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2(CCC2)N1 ZINC000420966098 446934151 /nfs/dbraw/zinc/93/41/51/446934151.db2.gz QLAGZCFAUBGTEG-GOSISDBHSA-N 2 2 343.471 1.810 20 0 EDADLP C[N@H+](CCCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000454715033 446951839 /nfs/dbraw/zinc/95/18/39/446951839.db2.gz ONLGIKDIUNMERI-HNNXBMFYSA-N 2 2 331.464 1.834 20 0 EDADLP C[N@@H+](CCCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000454715033 446951844 /nfs/dbraw/zinc/95/18/44/446951844.db2.gz ONLGIKDIUNMERI-HNNXBMFYSA-N 2 2 331.464 1.834 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000442766806 446959022 /nfs/dbraw/zinc/95/90/22/446959022.db2.gz LPPDBDMPMLNLEI-HOTGVXAUSA-N 2 2 346.475 1.336 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000442766806 446959024 /nfs/dbraw/zinc/95/90/24/446959024.db2.gz LPPDBDMPMLNLEI-HOTGVXAUSA-N 2 2 346.475 1.336 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cn(CC4CC4)nn3)CC2)CC1 ZINC000420984369 446960743 /nfs/dbraw/zinc/96/07/43/446960743.db2.gz SSNNBQXXDISJQA-UHFFFAOYSA-N 2 2 346.523 1.680 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cn(CC4CC4)nn3)CC2)CC1 ZINC000420984369 446960749 /nfs/dbraw/zinc/96/07/49/446960749.db2.gz SSNNBQXXDISJQA-UHFFFAOYSA-N 2 2 346.523 1.680 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000375667354 446962561 /nfs/dbraw/zinc/96/25/61/446962561.db2.gz VZTLXAQJDHSZBD-HNNXBMFYSA-N 2 2 331.464 1.062 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000375667354 446962566 /nfs/dbraw/zinc/96/25/66/446962566.db2.gz VZTLXAQJDHSZBD-HNNXBMFYSA-N 2 2 331.464 1.062 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n(-c2ccccc2F)n1 ZINC000442778795 446965873 /nfs/dbraw/zinc/96/58/73/446965873.db2.gz KVPVEZDKYDAYDJ-ZIAGYGMSSA-N 2 2 345.422 1.927 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n(-c2ccccc2F)n1 ZINC000442778795 446965877 /nfs/dbraw/zinc/96/58/77/446965877.db2.gz KVPVEZDKYDAYDJ-ZIAGYGMSSA-N 2 2 345.422 1.927 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C(=O)C1 ZINC000368615154 446982161 /nfs/dbraw/zinc/98/21/61/446982161.db2.gz RQIGVSPCEMRECV-UHFFFAOYSA-N 2 2 339.480 1.347 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C(=O)C1 ZINC000368615154 446982166 /nfs/dbraw/zinc/98/21/66/446982166.db2.gz RQIGVSPCEMRECV-UHFFFAOYSA-N 2 2 339.480 1.347 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000372329614 447039642 /nfs/dbraw/zinc/03/96/42/447039642.db2.gz IBRGTBULMMDJJF-OIISXLGYSA-N 2 2 329.448 1.708 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cn2cccnc2n1 ZINC000372329614 447039647 /nfs/dbraw/zinc/03/96/47/447039647.db2.gz IBRGTBULMMDJJF-OIISXLGYSA-N 2 2 329.448 1.708 20 0 EDADLP CCn1ccnc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000368691906 447041503 /nfs/dbraw/zinc/04/15/03/447041503.db2.gz KRBNLWGXNHDYCO-UHFFFAOYSA-N 2 2 333.480 1.583 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC000368678544 447028492 /nfs/dbraw/zinc/02/84/92/447028492.db2.gz UNSKBHCAAJUSJZ-FQEVSTJZSA-N 2 2 347.503 1.794 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC000368678544 447028497 /nfs/dbraw/zinc/02/84/97/447028497.db2.gz UNSKBHCAAJUSJZ-FQEVSTJZSA-N 2 2 347.503 1.794 20 0 EDADLP COC(=O)[C@](C)(C[NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)cc1 ZINC000425332157 447118519 /nfs/dbraw/zinc/11/85/19/447118519.db2.gz CFPGJMLKRQNLSI-GOSISDBHSA-N 2 2 348.422 1.846 20 0 EDADLP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000368753697 447086337 /nfs/dbraw/zinc/08/63/37/447086337.db2.gz LAWUBPIAHMBALP-OAHLLOKOSA-N 2 2 333.480 1.867 20 0 EDADLP Cc1nnc2n1C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccn3)C[C@H]1C)CC2 ZINC000375850663 447098680 /nfs/dbraw/zinc/09/86/80/447098680.db2.gz PYEOYHSBQQEMCT-OLMNPRSZSA-N 2 2 340.475 1.797 20 0 EDADLP Cc1nnc2n1C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccn3)C[C@H]1C)CC2 ZINC000375850663 447098685 /nfs/dbraw/zinc/09/86/85/447098685.db2.gz PYEOYHSBQQEMCT-OLMNPRSZSA-N 2 2 340.475 1.797 20 0 EDADLP C[N@@H+]1CCc2ncnc(NCC3([NH+]4CCSCC4)CCCC3)c2C1 ZINC000377495347 447164069 /nfs/dbraw/zinc/16/40/69/447164069.db2.gz NXHFQFOLFZIJEF-UHFFFAOYSA-N 2 2 347.532 2.238 20 0 EDADLP C[N@H+]1CCc2ncnc(NCC3([NH+]4CCSCC4)CCCC3)c2C1 ZINC000377495347 447164075 /nfs/dbraw/zinc/16/40/75/447164075.db2.gz NXHFQFOLFZIJEF-UHFFFAOYSA-N 2 2 347.532 2.238 20 0 EDADLP Cc1cc(N2CCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)nc(C(C)C)[nH+]1 ZINC000455428013 447127460 /nfs/dbraw/zinc/12/74/60/447127460.db2.gz GKTGDJHBTZCLKC-HNNXBMFYSA-N 2 2 348.495 1.690 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)n1C ZINC000425369069 447128695 /nfs/dbraw/zinc/12/86/95/447128695.db2.gz LBLSTBJRRGWWDH-OAHLLOKOSA-N 2 2 325.420 1.526 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCc2ccccc21 ZINC000377532293 447186644 /nfs/dbraw/zinc/18/66/44/447186644.db2.gz UBDBVCHBAXOQAN-HXUWFJFHSA-N 2 2 345.487 1.617 20 0 EDADLP COCC(COC)[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000413472753 447192813 /nfs/dbraw/zinc/19/28/13/447192813.db2.gz KWIYCQXGXNEOHB-UHFFFAOYSA-N 2 2 335.452 1.082 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3CSCCS3)C2)CC1 ZINC000372724640 447247562 /nfs/dbraw/zinc/24/75/62/447247562.db2.gz FQNMIWAPKQNKOG-ZFWWWQNUSA-N 2 2 343.562 1.510 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3CSCCS3)C2)CC1 ZINC000372724640 447247570 /nfs/dbraw/zinc/24/75/70/447247570.db2.gz FQNMIWAPKQNKOG-ZFWWWQNUSA-N 2 2 343.562 1.510 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1C ZINC000376034265 447223699 /nfs/dbraw/zinc/22/36/99/447223699.db2.gz YJSJZQWKCFRVDE-CQSZACIVSA-N 2 2 330.432 2.000 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cn1C ZINC000376034265 447223706 /nfs/dbraw/zinc/22/37/06/447223706.db2.gz YJSJZQWKCFRVDE-CQSZACIVSA-N 2 2 330.432 2.000 20 0 EDADLP Cn1cc([C@H]2[C@@H](CNc3[nH+]cnc4c3cnn4C)CCC[N@@H+]2C)cn1 ZINC000377696243 447300057 /nfs/dbraw/zinc/30/00/57/447300057.db2.gz FUMGSWUSKRDLFG-IUODEOHRSA-N 2 2 340.435 1.592 20 0 EDADLP Cn1cc([C@H]2[C@@H](CNc3[nH+]cnc4c3cnn4C)CCC[N@H+]2C)cn1 ZINC000377696243 447300064 /nfs/dbraw/zinc/30/00/64/447300064.db2.gz FUMGSWUSKRDLFG-IUODEOHRSA-N 2 2 340.435 1.592 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCC1 ZINC000446844503 447260151 /nfs/dbraw/zinc/26/01/51/447260151.db2.gz UFUASEWZMQXWJH-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCC1 ZINC000446844503 447260156 /nfs/dbraw/zinc/26/01/56/447260156.db2.gz UFUASEWZMQXWJH-IAGOWNOFSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(-c2ccncc2)[nH+]1 ZINC000377636621 447263196 /nfs/dbraw/zinc/26/31/96/447263196.db2.gz JHSWYNZSPAHKCH-CVEARBPZSA-N 2 2 325.416 1.544 20 0 EDADLP Cc1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc(-c2ccncc2)[nH+]1 ZINC000377636621 447263204 /nfs/dbraw/zinc/26/32/04/447263204.db2.gz JHSWYNZSPAHKCH-CVEARBPZSA-N 2 2 325.416 1.544 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)cn2)CC1 ZINC000377658320 447277333 /nfs/dbraw/zinc/27/73/33/447277333.db2.gz WZEQXFHLTMUGDS-HNNXBMFYSA-N 2 2 340.431 1.546 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811490 447479513 /nfs/dbraw/zinc/47/95/13/447479513.db2.gz OVVUAQDSHBMZFA-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811490 447479519 /nfs/dbraw/zinc/47/95/19/447479519.db2.gz OVVUAQDSHBMZFA-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811490 447479524 /nfs/dbraw/zinc/47/95/24/447479524.db2.gz OVVUAQDSHBMZFA-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458811490 447479528 /nfs/dbraw/zinc/47/95/28/447479528.db2.gz OVVUAQDSHBMZFA-OAGGEKHMSA-N 2 2 326.485 1.269 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000456903356 447482406 /nfs/dbraw/zinc/48/24/06/447482406.db2.gz QYNFHZTVQVKFET-UHFFFAOYSA-N 2 2 349.523 1.929 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000456903356 447482413 /nfs/dbraw/zinc/48/24/13/447482413.db2.gz QYNFHZTVQVKFET-UHFFFAOYSA-N 2 2 349.523 1.929 20 0 EDADLP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415507407 447487075 /nfs/dbraw/zinc/48/70/75/447487075.db2.gz CYFXICZRSOBQGX-GFCCVEGCSA-N 2 2 343.431 1.412 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000458936302 447509203 /nfs/dbraw/zinc/50/92/03/447509203.db2.gz NBTPGCRRANZQFF-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000459149220 447594813 /nfs/dbraw/zinc/59/48/13/447594813.db2.gz MOVYLLBMVNNAIH-UHFFFAOYSA-N 2 2 335.477 1.798 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCCCC[NH+](C)C2CC2)CCO1 ZINC000459158171 447599851 /nfs/dbraw/zinc/59/98/51/447599851.db2.gz MVGGZJQOWFQDGT-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCCC[NH+](C)C2CC2)CCO1 ZINC000459158171 447599855 /nfs/dbraw/zinc/59/98/55/447599855.db2.gz MVGGZJQOWFQDGT-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCCCC[N@H+](C)C2CC2)CCO1 ZINC000459158171 447599857 /nfs/dbraw/zinc/59/98/57/447599857.db2.gz MVGGZJQOWFQDGT-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCCCC[N@@H+](C)C2CC2)CCO1 ZINC000459158171 447599864 /nfs/dbraw/zinc/59/98/64/447599864.db2.gz MVGGZJQOWFQDGT-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407308981 447613761 /nfs/dbraw/zinc/61/37/61/447613761.db2.gz DZBCJOFRMQZRGH-RTBURBONSA-N 2 2 343.471 1.666 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000420145453 447634488 /nfs/dbraw/zinc/63/44/88/447634488.db2.gz OEBHOZITFOLBJN-ZNMIVQPWSA-N 2 2 347.463 1.213 20 0 EDADLP [NH3+]CC1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000416884307 447700744 /nfs/dbraw/zinc/70/07/44/447700744.db2.gz CTPRIFILKHCCKL-SFHVURJKSA-N 2 2 346.475 1.440 20 0 EDADLP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1 ZINC000416888088 447701777 /nfs/dbraw/zinc/70/17/77/447701777.db2.gz PPEWXQDLKTTZIH-MSOLQXFVSA-N 2 2 346.475 1.372 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000416890926 447702461 /nfs/dbraw/zinc/70/24/61/447702461.db2.gz TYNFRXLIZVQSLG-MSOLQXFVSA-N 2 2 346.475 1.405 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc(C)[nH+]1 ZINC000422594754 447662432 /nfs/dbraw/zinc/66/24/32/447662432.db2.gz XBHGPAGOJFCISW-BLLLJJGKSA-N 2 2 332.448 1.160 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc(C)[nH+]1 ZINC000422594754 447662436 /nfs/dbraw/zinc/66/24/36/447662436.db2.gz XBHGPAGOJFCISW-BLLLJJGKSA-N 2 2 332.448 1.160 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416913965 447707343 /nfs/dbraw/zinc/70/73/43/447707343.db2.gz OPAILBBBKREVCE-SWLSCSKDSA-N 2 2 333.411 1.803 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416923869 447710989 /nfs/dbraw/zinc/71/09/89/447710989.db2.gz WMMSBGHTKGAZLK-CQDKDKBSSA-N 2 2 331.395 1.780 20 0 EDADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCCc3c(F)cccc3F)C2)C1 ZINC000429044393 447723265 /nfs/dbraw/zinc/72/32/65/447723265.db2.gz UHSBSKNNDAEDBU-SFHVURJKSA-N 2 2 337.414 1.651 20 0 EDADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCCc3c(F)cccc3F)C2)C1 ZINC000429044393 447723269 /nfs/dbraw/zinc/72/32/69/447723269.db2.gz UHSBSKNNDAEDBU-SFHVURJKSA-N 2 2 337.414 1.651 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCCc3c(F)cccc3F)C2)C1 ZINC000429044393 447723274 /nfs/dbraw/zinc/72/32/74/447723274.db2.gz UHSBSKNNDAEDBU-SFHVURJKSA-N 2 2 337.414 1.651 20 0 EDADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCCc3c(F)cccc3F)C2)C1 ZINC000429044393 447723280 /nfs/dbraw/zinc/72/32/80/447723280.db2.gz UHSBSKNNDAEDBU-SFHVURJKSA-N 2 2 337.414 1.651 20 0 EDADLP C[C@@H](CC[NH3+])NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000417219909 447737322 /nfs/dbraw/zinc/73/73/22/447737322.db2.gz MZRZEQLULPIUEW-VIFPVBQESA-N 2 2 340.225 1.633 20 0 EDADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000417272973 447740724 /nfs/dbraw/zinc/74/07/24/447740724.db2.gz VZSHWXHQOQRXNL-IUODEOHRSA-N 2 2 331.395 1.951 20 0 EDADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000422759803 447742327 /nfs/dbraw/zinc/74/23/27/447742327.db2.gz KEDZKIAYIIVCKL-ROUUACIJSA-N 2 2 330.476 1.585 20 0 EDADLP C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000422767156 447744056 /nfs/dbraw/zinc/74/40/56/447744056.db2.gz YETLPOZMIGUEIM-RDJZCZTQSA-N 2 2 326.444 1.978 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCC[NH+]3CCOCC3(C)C)C2)C1 ZINC000458274072 447759664 /nfs/dbraw/zinc/75/96/64/447759664.db2.gz IWOSWHLLWHNEEM-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCC[NH+]3CCOCC3(C)C)C2)C1 ZINC000458274072 447759669 /nfs/dbraw/zinc/75/96/69/447759669.db2.gz IWOSWHLLWHNEEM-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+]1CCC[C@@]2(CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)C2)C1 ZINC000458274072 447759672 /nfs/dbraw/zinc/75/96/72/447759672.db2.gz IWOSWHLLWHNEEM-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+]1CCC[C@@]2(CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)C2)C1 ZINC000458274072 447759676 /nfs/dbraw/zinc/75/96/76/447759676.db2.gz IWOSWHLLWHNEEM-GOSISDBHSA-N 2 2 338.496 1.225 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000458314086 447767172 /nfs/dbraw/zinc/76/71/72/447767172.db2.gz ORPFUYVDNIAKPO-HRCADAONSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000458314086 447767176 /nfs/dbraw/zinc/76/71/76/447767176.db2.gz ORPFUYVDNIAKPO-HRCADAONSA-N 2 2 326.485 1.220 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])CC2)c1 ZINC000430548027 447775821 /nfs/dbraw/zinc/77/58/21/447775821.db2.gz VTTNCJGWJKPZSP-UHFFFAOYSA-N 3 2 346.519 1.556 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])CC2)c1 ZINC000430548027 447775825 /nfs/dbraw/zinc/77/58/25/447775825.db2.gz VTTNCJGWJKPZSP-UHFFFAOYSA-N 3 2 346.519 1.556 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000422940439 447777080 /nfs/dbraw/zinc/77/70/80/447777080.db2.gz STRUPGMKZXLRNB-QWHCGFSZSA-N 2 2 331.507 1.748 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422947316 447777809 /nfs/dbraw/zinc/77/78/09/447777809.db2.gz YFCGDNNTACGAQN-MBNYWOFBSA-N 2 2 343.265 1.776 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000422951547 447779550 /nfs/dbraw/zinc/77/95/50/447779550.db2.gz YZJFMEPMLRBMKB-QFBILLFUSA-N 2 2 341.455 1.753 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565286 447780956 /nfs/dbraw/zinc/78/09/56/447780956.db2.gz FEZSTFZUGGRZFR-MJGOQNOKSA-N 3 2 344.503 1.390 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430565286 447780959 /nfs/dbraw/zinc/78/09/59/447780959.db2.gz FEZSTFZUGGRZFR-MJGOQNOKSA-N 3 2 344.503 1.390 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430591570 447781586 /nfs/dbraw/zinc/78/15/86/447781586.db2.gz OISIEJGPPUXCTJ-UONOGXRCSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430591570 447781588 /nfs/dbraw/zinc/78/15/88/447781588.db2.gz OISIEJGPPUXCTJ-UONOGXRCSA-N 2 2 333.432 1.846 20 0 EDADLP COCCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000422977549 447786022 /nfs/dbraw/zinc/78/60/22/447786022.db2.gz XAFXXHGVZMCHFX-BBWFWOEESA-N 2 2 335.448 1.354 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423031874 447794684 /nfs/dbraw/zinc/79/46/84/447794684.db2.gz LMWIFTYUAPHJOQ-LSTHTHJFSA-N 3 2 347.503 1.500 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423031874 447794688 /nfs/dbraw/zinc/79/46/88/447794688.db2.gz LMWIFTYUAPHJOQ-LSTHTHJFSA-N 3 2 347.503 1.500 20 0 EDADLP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423045763 447796883 /nfs/dbraw/zinc/79/68/83/447796883.db2.gz SOSPBTVTBIIBQS-DLBZAZTESA-N 2 2 338.473 1.337 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460128875 447797135 /nfs/dbraw/zinc/79/71/35/447797135.db2.gz HAIVYMOCWOZXLC-BBWFWOEESA-N 2 2 336.480 1.119 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460128875 447797139 /nfs/dbraw/zinc/79/71/39/447797139.db2.gz HAIVYMOCWOZXLC-BBWFWOEESA-N 2 2 336.480 1.119 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000487940332 447838391 /nfs/dbraw/zinc/83/83/91/447838391.db2.gz GEFMLWFDQLZQLC-OWCLPIDISA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000487940332 447838392 /nfs/dbraw/zinc/83/83/92/447838392.db2.gz GEFMLWFDQLZQLC-OWCLPIDISA-N 2 2 333.480 1.865 20 0 EDADLP Cc1nc(NC2CC[NH+](Cc3ccccn3)CC2)nc(N(C)C)[nH+]1 ZINC000488412219 447846851 /nfs/dbraw/zinc/84/68/51/447846851.db2.gz OHYWEUNEDRCLST-UHFFFAOYSA-N 2 2 327.436 1.718 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000488567418 447848829 /nfs/dbraw/zinc/84/88/29/447848829.db2.gz WKXDDWVFCDJNFO-LBTNJELSSA-N 2 2 339.480 1.106 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000488567418 447848830 /nfs/dbraw/zinc/84/88/30/447848830.db2.gz WKXDDWVFCDJNFO-LBTNJELSSA-N 2 2 339.480 1.106 20 0 EDADLP CCOC(=O)N(C)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000496740330 447869698 /nfs/dbraw/zinc/86/96/98/447869698.db2.gz NLUIPVTZGYPXBO-OAHLLOKOSA-N 2 2 349.435 1.386 20 0 EDADLP CCOC(=O)N(C)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000496740330 447869701 /nfs/dbraw/zinc/86/97/01/447869701.db2.gz NLUIPVTZGYPXBO-OAHLLOKOSA-N 2 2 349.435 1.386 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)Nc2cc(C)c3[nH+]ccn3c2)CCO1 ZINC000575630793 447877983 /nfs/dbraw/zinc/87/79/83/447877983.db2.gz SVQIXLUXEWZJHB-OAHLLOKOSA-N 2 2 331.420 1.875 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cc(C)c3[nH+]ccn3c2)CCO1 ZINC000575630793 447877988 /nfs/dbraw/zinc/87/79/88/447877988.db2.gz SVQIXLUXEWZJHB-OAHLLOKOSA-N 2 2 331.420 1.875 20 0 EDADLP C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000530519447 447904759 /nfs/dbraw/zinc/90/47/59/447904759.db2.gz XRCCXZRSVWBVLL-YOEHRIQHSA-N 2 2 349.500 1.629 20 0 EDADLP C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000530519447 447904765 /nfs/dbraw/zinc/90/47/65/447904765.db2.gz XRCCXZRSVWBVLL-YOEHRIQHSA-N 2 2 349.500 1.629 20 0 EDADLP Cc1cc(Br)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000576003199 447949586 /nfs/dbraw/zinc/94/95/86/447949586.db2.gz OBUXPPMEJYZTPY-MWLCHTKSSA-N 2 2 344.278 1.563 20 0 EDADLP Cc1cc(Br)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000576003199 447949589 /nfs/dbraw/zinc/94/95/89/447949589.db2.gz OBUXPPMEJYZTPY-MWLCHTKSSA-N 2 2 344.278 1.563 20 0 EDADLP O=C(NCC1CC[NH2+]CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000576015172 447951529 /nfs/dbraw/zinc/95/15/29/447951529.db2.gz RTUIZDUQVNUFFB-UHFFFAOYSA-N 2 2 346.475 1.392 20 0 EDADLP O=C1CCc2cc(OC[C@@H](O)C[NH2+]CCCn3cc[nH+]c3)ccc2N1 ZINC000576030025 447953988 /nfs/dbraw/zinc/95/39/88/447953988.db2.gz KHECCOOOWYVYKC-HNNXBMFYSA-N 2 2 344.415 1.187 20 0 EDADLP Cc1ccc(-c2ncc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)s2)cc1 ZINC000569941472 447925451 /nfs/dbraw/zinc/92/54/51/447925451.db2.gz MYIVNAQLGIHIGQ-GDBMZVCRSA-N 2 2 342.468 1.862 20 0 EDADLP Cc1ccc(-c2ncc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)s2)cc1 ZINC000569941472 447925455 /nfs/dbraw/zinc/92/54/55/447925455.db2.gz MYIVNAQLGIHIGQ-GDBMZVCRSA-N 2 2 342.468 1.862 20 0 EDADLP C[C@H](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)n1cc[nH+]c1 ZINC000570310218 447984440 /nfs/dbraw/zinc/98/44/40/447984440.db2.gz RKYPBFKNTSXAGI-MRXNPFEDSA-N 2 2 334.464 1.986 20 0 EDADLP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)n1cc[nH+]c1 ZINC000570336793 447989549 /nfs/dbraw/zinc/98/95/49/447989549.db2.gz XHYHBFSIFOIXAG-WZYMTQMTSA-N 2 2 347.463 1.034 20 0 EDADLP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)n1cc[nH+]c1 ZINC000570336793 447989555 /nfs/dbraw/zinc/98/95/55/447989555.db2.gz XHYHBFSIFOIXAG-WZYMTQMTSA-N 2 2 347.463 1.034 20 0 EDADLP COCC[N@H+](C)CCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000553428959 447993513 /nfs/dbraw/zinc/99/35/13/447993513.db2.gz JAZLFFVRKGYAKK-NSHDSACASA-N 2 2 336.358 1.151 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000553428959 447993517 /nfs/dbraw/zinc/99/35/17/447993517.db2.gz JAZLFFVRKGYAKK-NSHDSACASA-N 2 2 336.358 1.151 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)[C@@H](C[NH3+])C1 ZINC000576252076 448011885 /nfs/dbraw/zinc/01/18/85/448011885.db2.gz LERMCFQEHMNRDL-LBPRGKRZSA-N 2 2 337.493 1.909 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)[C@@H](C[NH3+])C1 ZINC000576252076 448011892 /nfs/dbraw/zinc/01/18/92/448011892.db2.gz LERMCFQEHMNRDL-LBPRGKRZSA-N 2 2 337.493 1.909 20 0 EDADLP C[N@@H+]1CCN(Cc2ccc(OCc3ccncc3)cc2)[C@@H](C[NH3+])C1 ZINC000570632291 448039176 /nfs/dbraw/zinc/03/91/76/448039176.db2.gz IVZSPKRGTGALSW-SFHVURJKSA-N 2 2 326.444 1.735 20 0 EDADLP C[N@H+]1CCN(Cc2ccc(OCc3ccncc3)cc2)[C@@H](C[NH3+])C1 ZINC000570632291 448039183 /nfs/dbraw/zinc/03/91/83/448039183.db2.gz IVZSPKRGTGALSW-SFHVURJKSA-N 2 2 326.444 1.735 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000576507465 448070066 /nfs/dbraw/zinc/07/00/66/448070066.db2.gz ZIDRTHLMIJUNQP-PBHICJAKSA-N 2 2 337.489 1.559 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C2 ZINC000526003382 448076790 /nfs/dbraw/zinc/07/67/90/448076790.db2.gz WAXZDHIOMGBZEY-ZIAGYGMSSA-N 2 2 333.480 1.000 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC000526003382 448076794 /nfs/dbraw/zinc/07/67/94/448076794.db2.gz WAXZDHIOMGBZEY-ZIAGYGMSSA-N 2 2 333.480 1.000 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)CC2 ZINC000526003382 448076796 /nfs/dbraw/zinc/07/67/96/448076796.db2.gz WAXZDHIOMGBZEY-ZIAGYGMSSA-N 2 2 333.480 1.000 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC000526003382 448076800 /nfs/dbraw/zinc/07/68/00/448076800.db2.gz WAXZDHIOMGBZEY-ZIAGYGMSSA-N 2 2 333.480 1.000 20 0 EDADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000570965977 448087862 /nfs/dbraw/zinc/08/78/62/448087862.db2.gz QATLUNGBZRRJMH-DLBZAZTESA-N 2 2 340.439 1.140 20 0 EDADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000570965977 448087866 /nfs/dbraw/zinc/08/78/66/448087866.db2.gz QATLUNGBZRRJMH-DLBZAZTESA-N 2 2 340.439 1.140 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000571500672 448162952 /nfs/dbraw/zinc/16/29/52/448162952.db2.gz MVGHKCPFXYVHMQ-GOSISDBHSA-N 2 2 330.476 1.603 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000571500672 448162960 /nfs/dbraw/zinc/16/29/60/448162960.db2.gz MVGHKCPFXYVHMQ-GOSISDBHSA-N 2 2 330.476 1.603 20 0 EDADLP CCOC(=O)[C@@H]1[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000497033873 448142818 /nfs/dbraw/zinc/14/28/18/448142818.db2.gz JJOKNAICXSWREQ-IHRRRGAJSA-N 2 2 343.468 1.467 20 0 EDADLP CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H](C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000497033876 448143175 /nfs/dbraw/zinc/14/31/75/448143175.db2.gz JJOKNAICXSWREQ-MJBXVCDLSA-N 2 2 343.468 1.467 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000582414555 448230502 /nfs/dbraw/zinc/23/05/02/448230502.db2.gz DSZMCHAGBIOZFB-XPKDYRNWSA-N 2 2 330.457 1.780 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000514949018 448231831 /nfs/dbraw/zinc/23/18/31/448231831.db2.gz FTQLNVOOVDFYLE-OAHLLOKOSA-N 2 2 334.464 1.692 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000514949018 448231837 /nfs/dbraw/zinc/23/18/37/448231837.db2.gz FTQLNVOOVDFYLE-OAHLLOKOSA-N 2 2 334.464 1.692 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cs1 ZINC000591019534 448234484 /nfs/dbraw/zinc/23/44/84/448234484.db2.gz KWZONNDRKWZBIO-OAHLLOKOSA-N 2 2 337.489 1.747 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cs1 ZINC000591019534 448234490 /nfs/dbraw/zinc/23/44/90/448234490.db2.gz KWZONNDRKWZBIO-OAHLLOKOSA-N 2 2 337.489 1.747 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000532233168 448218801 /nfs/dbraw/zinc/21/88/01/448218801.db2.gz LDZJVSHDRCHBGG-INIZCTEOSA-N 2 2 347.459 1.170 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000532233168 448218805 /nfs/dbraw/zinc/21/88/05/448218805.db2.gz LDZJVSHDRCHBGG-INIZCTEOSA-N 2 2 347.459 1.170 20 0 EDADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000515166012 448267473 /nfs/dbraw/zinc/26/74/73/448267473.db2.gz SXNOTLOADDKUNB-HUUCEWRRSA-N 2 2 338.448 1.517 20 0 EDADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000515166012 448267475 /nfs/dbraw/zinc/26/74/75/448267475.db2.gz SXNOTLOADDKUNB-HUUCEWRRSA-N 2 2 338.448 1.517 20 0 EDADLP O=C(CCCn1cc[nH+]c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000591141096 448270790 /nfs/dbraw/zinc/27/07/90/448270790.db2.gz RZKBKUIJEQFGOE-UHFFFAOYSA-N 2 2 327.432 1.839 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000591106629 448263245 /nfs/dbraw/zinc/26/32/45/448263245.db2.gz OIBYPOVVXCSGMA-ZWKOTPCHSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1cc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)n(C2CC[NH+](C)CC2)n1 ZINC000532763857 448307883 /nfs/dbraw/zinc/30/78/83/448307883.db2.gz YIIOYTUVKBAVNM-CQSZACIVSA-N 2 2 342.447 1.856 20 0 EDADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000515503266 448324254 /nfs/dbraw/zinc/32/42/54/448324254.db2.gz AFFJBNIHXJHNHS-LBPRGKRZSA-N 2 2 340.474 1.400 20 0 EDADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000515503266 448324264 /nfs/dbraw/zinc/32/42/64/448324264.db2.gz AFFJBNIHXJHNHS-LBPRGKRZSA-N 2 2 340.474 1.400 20 0 EDADLP Cc1c[nH+]c(C)nc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000577388305 448285117 /nfs/dbraw/zinc/28/51/17/448285117.db2.gz HKWMZPDOWBZFDE-UHFFFAOYSA-N 3 2 326.448 2.113 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000515322527 448290842 /nfs/dbraw/zinc/29/08/42/448290842.db2.gz DGJQQJAMEWCGMW-SFHVURJKSA-N 2 2 345.491 1.783 20 0 EDADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000515322527 448290847 /nfs/dbraw/zinc/29/08/47/448290847.db2.gz DGJQQJAMEWCGMW-SFHVURJKSA-N 2 2 345.491 1.783 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000577461109 448300463 /nfs/dbraw/zinc/30/04/63/448300463.db2.gz XLOZEZQDXHOVQS-ZACQAIPSSA-N 2 2 342.867 1.699 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000577461109 448300468 /nfs/dbraw/zinc/30/04/68/448300468.db2.gz XLOZEZQDXHOVQS-ZACQAIPSSA-N 2 2 342.867 1.699 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)C[C@@H](C)O1 ZINC000582841607 448355628 /nfs/dbraw/zinc/35/56/28/448355628.db2.gz QDMSDAIBFDRSQD-AFKBCAQJSA-N 2 2 348.487 1.966 20 0 EDADLP O[C@H](CNCC[NH+]1CCC2(CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000582841252 448356278 /nfs/dbraw/zinc/35/62/78/448356278.db2.gz CSISOGIHTIJHFS-GOSISDBHSA-N 2 2 339.524 1.315 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591451244 448369054 /nfs/dbraw/zinc/36/90/54/448369054.db2.gz PEQJFSLDVKOSRN-HNAYVOBHSA-N 2 2 344.459 1.476 20 0 EDADLP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591451244 448369055 /nfs/dbraw/zinc/36/90/55/448369055.db2.gz PEQJFSLDVKOSRN-HNAYVOBHSA-N 2 2 344.459 1.476 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2csc(Br)c2)[C@@H](C[NH3+])C1 ZINC000493111102 448370805 /nfs/dbraw/zinc/37/08/05/448370805.db2.gz BXFRDRUXHICWBR-QUCGXOGASA-N 2 2 344.278 1.625 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2csc(Br)c2)[C@@H](C[NH3+])C1 ZINC000493111102 448370810 /nfs/dbraw/zinc/37/08/10/448370810.db2.gz BXFRDRUXHICWBR-QUCGXOGASA-N 2 2 344.278 1.625 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591542660 448385302 /nfs/dbraw/zinc/38/53/02/448385302.db2.gz FCGBXGMWGFXSQV-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000591542660 448385305 /nfs/dbraw/zinc/38/53/05/448385305.db2.gz FCGBXGMWGFXSQV-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000591542660 448385307 /nfs/dbraw/zinc/38/53/07/448385307.db2.gz FCGBXGMWGFXSQV-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000591542660 448385310 /nfs/dbraw/zinc/38/53/10/448385310.db2.gz FCGBXGMWGFXSQV-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000591543923 448385352 /nfs/dbraw/zinc/38/53/52/448385352.db2.gz ZCUZRCBLKDTMPQ-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000591543923 448385353 /nfs/dbraw/zinc/38/53/53/448385353.db2.gz ZCUZRCBLKDTMPQ-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000591583934 448396250 /nfs/dbraw/zinc/39/62/50/448396250.db2.gz INSVXZSNDKNPNE-UXLLHSPISA-N 2 2 349.479 1.475 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000591583934 448396253 /nfs/dbraw/zinc/39/62/53/448396253.db2.gz INSVXZSNDKNPNE-UXLLHSPISA-N 2 2 349.479 1.475 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000577883929 448411926 /nfs/dbraw/zinc/41/19/26/448411926.db2.gz XWFPUALXFYWXAZ-KRWDZBQOSA-N 2 2 328.497 1.597 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000577883929 448411931 /nfs/dbraw/zinc/41/19/31/448411931.db2.gz XWFPUALXFYWXAZ-KRWDZBQOSA-N 2 2 328.497 1.597 20 0 EDADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](Cc3ccsc3)CC2)[nH+]1 ZINC000565790917 448380295 /nfs/dbraw/zinc/38/02/95/448380295.db2.gz FEADKPDEAVNJOU-UHFFFAOYSA-N 2 2 341.444 1.628 20 0 EDADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000566244935 448428596 /nfs/dbraw/zinc/42/85/96/448428596.db2.gz OARSDNRTLJOVHE-DGCLKSJQSA-N 2 2 333.436 1.239 20 0 EDADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 ZINC000566244935 448428606 /nfs/dbraw/zinc/42/86/06/448428606.db2.gz OARSDNRTLJOVHE-DGCLKSJQSA-N 2 2 333.436 1.239 20 0 EDADLP O=C1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1c1ccccc1F ZINC000572712678 448445164 /nfs/dbraw/zinc/44/51/64/448445164.db2.gz QJZBQFUMEFQRJR-QANKJYHBSA-N 2 2 333.407 1.288 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000591735303 448475824 /nfs/dbraw/zinc/47/58/24/448475824.db2.gz HLDKHSDGIBONKX-PQUAAJSLSA-N 2 2 326.481 1.935 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000591735303 448475830 /nfs/dbraw/zinc/47/58/30/448475830.db2.gz HLDKHSDGIBONKX-PQUAAJSLSA-N 2 2 326.481 1.935 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccc(COC(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000572856206 448482732 /nfs/dbraw/zinc/48/27/32/448482732.db2.gz DHSWQKJVXDCJSX-QGZVFWFLSA-N 2 2 348.491 1.786 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000578337321 448522442 /nfs/dbraw/zinc/52/24/42/448522442.db2.gz CLQPHAHSSFSFNT-CALCHBBNSA-N 2 2 345.491 1.145 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000578337321 448522445 /nfs/dbraw/zinc/52/24/45/448522445.db2.gz CLQPHAHSSFSFNT-CALCHBBNSA-N 2 2 345.491 1.145 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccnc(Oc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000573071097 448534171 /nfs/dbraw/zinc/53/41/71/448534171.db2.gz IGXKVNMUYRVIQX-OAHLLOKOSA-N 2 2 341.415 1.981 20 0 EDADLP C[C@@H]1CN(c2nc(N)c3ccccc3[nH+]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000536536814 448527133 /nfs/dbraw/zinc/52/71/33/448527133.db2.gz DERNYOQZEYLCFZ-PBHICJAKSA-N 2 2 340.475 1.674 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578513014 448565597 /nfs/dbraw/zinc/56/55/97/448565597.db2.gz IBNNHRITDYSFAU-DLBZAZTESA-N 3 2 335.496 1.709 20 0 EDADLP COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@@H]1CCC[NH2+]CC1)[nH]c2=O ZINC000517742362 448613290 /nfs/dbraw/zinc/61/32/90/448613290.db2.gz BJENEBRHQDRYNC-CYBMUJFWSA-N 2 2 344.415 1.696 20 0 EDADLP COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)[nH]c2=O ZINC000517742362 448613295 /nfs/dbraw/zinc/61/32/95/448613295.db2.gz BJENEBRHQDRYNC-CYBMUJFWSA-N 2 2 344.415 1.696 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000584730526 448613423 /nfs/dbraw/zinc/61/34/23/448613423.db2.gz RETDZZBNFRXCTH-UHFFFAOYSA-N 3 2 333.480 1.196 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000584847906 448655946 /nfs/dbraw/zinc/65/59/46/448655946.db2.gz ZFOWRVHQOOZXTR-MRXNPFEDSA-N 2 2 326.444 1.932 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000584847906 448655954 /nfs/dbraw/zinc/65/59/54/448655954.db2.gz ZFOWRVHQOOZXTR-MRXNPFEDSA-N 2 2 326.444 1.932 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CC3CC3)CC2)CC1 ZINC000578886432 448663178 /nfs/dbraw/zinc/66/31/78/448663178.db2.gz PADWGMMTNSWVLH-UHFFFAOYSA-N 2 2 329.510 1.218 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CC3CC3)CC2)CC1 ZINC000578886432 448663184 /nfs/dbraw/zinc/66/31/84/448663184.db2.gz PADWGMMTNSWVLH-UHFFFAOYSA-N 2 2 329.510 1.218 20 0 EDADLP Cc1ccc(OCCCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000567335641 448667458 /nfs/dbraw/zinc/66/74/58/448667458.db2.gz KODWOMIFMGQFCF-INIZCTEOSA-N 2 2 334.464 1.438 20 0 EDADLP Cc1ccc(OCCCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000567335641 448667459 /nfs/dbraw/zinc/66/74/59/448667459.db2.gz KODWOMIFMGQFCF-INIZCTEOSA-N 2 2 334.464 1.438 20 0 EDADLP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540184968 448632450 /nfs/dbraw/zinc/63/24/50/448632450.db2.gz XLHMUADKDPWKAA-GOEBONIOSA-N 2 2 337.489 1.202 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000567580369 448718378 /nfs/dbraw/zinc/71/83/78/448718378.db2.gz BDDBEWDYCINXQL-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000567580369 448718385 /nfs/dbraw/zinc/71/83/85/448718385.db2.gz BDDBEWDYCINXQL-INIZCTEOSA-N 2 2 347.463 1.154 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000544701818 448766350 /nfs/dbraw/zinc/76/63/50/448766350.db2.gz ASVHRLNGEXSUEJ-MRXNPFEDSA-N 2 2 333.480 2.236 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000544701818 448766352 /nfs/dbraw/zinc/76/63/52/448766352.db2.gz ASVHRLNGEXSUEJ-MRXNPFEDSA-N 2 2 333.480 2.236 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NCC[N@@H+]3CCO[C@H](C)C3)CC2)[nH+]c1 ZINC000585697210 448741561 /nfs/dbraw/zinc/74/15/61/448741561.db2.gz CXZYYCDIZRYDLI-MRXNPFEDSA-N 2 2 346.475 1.443 20 0 EDADLP Cc1ccc(N2CCC(C(=O)NCC[N@H+]3CCO[C@H](C)C3)CC2)[nH+]c1 ZINC000585697210 448741567 /nfs/dbraw/zinc/74/15/67/448741567.db2.gz CXZYYCDIZRYDLI-MRXNPFEDSA-N 2 2 346.475 1.443 20 0 EDADLP c1cn(-c2cccc(CNc3cc[nH+]c(N4CCOCC4)n3)c2)c[nH+]1 ZINC000543693883 448743624 /nfs/dbraw/zinc/74/36/24/448743624.db2.gz XOGJXBOSGWCKHY-UHFFFAOYSA-N 2 2 336.399 2.111 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)COC1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000573913261 448744413 /nfs/dbraw/zinc/74/44/13/448744413.db2.gz BMQHDLRBHVVTOY-SJLPKXTDSA-N 2 2 336.476 1.653 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)COC1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000573913261 448744420 /nfs/dbraw/zinc/74/44/20/448744420.db2.gz BMQHDLRBHVVTOY-SJLPKXTDSA-N 2 2 336.476 1.653 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000529284027 448807129 /nfs/dbraw/zinc/80/71/29/448807129.db2.gz MMQMVXXCKKRKDS-QGZVFWFLSA-N 2 2 329.448 1.984 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000579490105 448808866 /nfs/dbraw/zinc/80/88/66/448808866.db2.gz NJKRBFHPZLIGHC-KRWDZBQOSA-N 2 2 336.476 1.777 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000579490105 448808869 /nfs/dbraw/zinc/80/88/69/448808869.db2.gz NJKRBFHPZLIGHC-KRWDZBQOSA-N 2 2 336.476 1.777 20 0 EDADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000545302760 448787979 /nfs/dbraw/zinc/78/79/79/448787979.db2.gz KMMVTRNPSOCFCF-GJZGRUSLSA-N 2 2 329.444 1.993 20 0 EDADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000545302760 448787985 /nfs/dbraw/zinc/78/79/85/448787985.db2.gz KMMVTRNPSOCFCF-GJZGRUSLSA-N 2 2 329.444 1.993 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000579443048 448793100 /nfs/dbraw/zinc/79/31/00/448793100.db2.gz KRXSQZJNUQIQIA-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000579443048 448793104 /nfs/dbraw/zinc/79/31/04/448793104.db2.gz KRXSQZJNUQIQIA-OAHLLOKOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000574204294 448816459 /nfs/dbraw/zinc/81/64/59/448816459.db2.gz ALNMWDGXEDRFGO-QWRGUYRKSA-N 2 2 343.431 1.631 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000574204292 448816722 /nfs/dbraw/zinc/81/67/22/448816722.db2.gz ALNMWDGXEDRFGO-GHMZBOCLSA-N 2 2 343.431 1.631 20 0 EDADLP CC(C)Oc1ccccc1[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579571270 448823493 /nfs/dbraw/zinc/82/34/93/448823493.db2.gz UFENQUFOHUXCMY-LSDHHAIUSA-N 2 2 334.464 1.819 20 0 EDADLP CC(C)Oc1ccccc1[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579571270 448823497 /nfs/dbraw/zinc/82/34/97/448823497.db2.gz UFENQUFOHUXCMY-LSDHHAIUSA-N 2 2 334.464 1.819 20 0 EDADLP O=C1[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCN1c1ccccc1 ZINC000568166495 448828379 /nfs/dbraw/zinc/82/83/79/448828379.db2.gz MHFCJKHXDUHUGM-MRXNPFEDSA-N 2 2 325.416 1.727 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000519727717 448829519 /nfs/dbraw/zinc/82/95/19/448829519.db2.gz FTQFCHJVQSGSFV-MAUKXSAKSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000519727717 448829525 /nfs/dbraw/zinc/82/95/25/448829525.db2.gz FTQFCHJVQSGSFV-MAUKXSAKSA-N 2 2 326.444 1.989 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000574261181 448829840 /nfs/dbraw/zinc/82/98/40/448829840.db2.gz LJCYXZZRWGUJEO-OQSMONGASA-N 2 2 343.475 1.425 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000529368972 448844162 /nfs/dbraw/zinc/84/41/62/448844162.db2.gz WBEMBSAPMCLXDM-JSGCOSHPSA-N 2 2 334.468 1.699 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C)[NH2+]C3CC3)CCCC2)no1 ZINC000568273972 448848539 /nfs/dbraw/zinc/84/85/39/448848539.db2.gz PEGHBONPHFGQDA-CYBMUJFWSA-N 2 2 349.479 1.937 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000574336154 448848727 /nfs/dbraw/zinc/84/87/27/448848727.db2.gz KBDJIWYPOKGNTM-AAEUAGOBSA-N 2 2 346.269 1.434 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000574336154 448848732 /nfs/dbraw/zinc/84/87/32/448848732.db2.gz KBDJIWYPOKGNTM-AAEUAGOBSA-N 2 2 346.269 1.434 20 0 EDADLP CCn1c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc21 ZINC000574399631 448865000 /nfs/dbraw/zinc/86/50/00/448865000.db2.gz FEAYRTLTGMLBFQ-OAHLLOKOSA-N 2 2 343.475 1.876 20 0 EDADLP CCn1c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc21 ZINC000574399631 448865006 /nfs/dbraw/zinc/86/50/06/448865006.db2.gz FEAYRTLTGMLBFQ-OAHLLOKOSA-N 2 2 343.475 1.876 20 0 EDADLP CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c[nH+]1 ZINC000592490083 448861283 /nfs/dbraw/zinc/86/12/83/448861283.db2.gz AAYCDSCFPUIUMS-OAHLLOKOSA-N 2 2 331.464 1.964 20 0 EDADLP CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c[nH+]1 ZINC000592490083 448861288 /nfs/dbraw/zinc/86/12/88/448861288.db2.gz AAYCDSCFPUIUMS-OAHLLOKOSA-N 2 2 331.464 1.964 20 0 EDADLP CCOC(=O)c1cnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000547633713 448907875 /nfs/dbraw/zinc/90/78/75/448907875.db2.gz YDZWDWFWSHAYJD-UHFFFAOYSA-N 2 2 347.463 1.624 20 0 EDADLP CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000520578101 448912504 /nfs/dbraw/zinc/91/25/04/448912504.db2.gz TXBBGPHYXOOTEA-YOEHRIQHSA-N 2 2 331.460 1.730 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000579954560 448920522 /nfs/dbraw/zinc/92/05/22/448920522.db2.gz HOUSYDZHQQRBAL-MQVJKMGUSA-N 2 2 346.475 1.499 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000579975516 448927186 /nfs/dbraw/zinc/92/71/86/448927186.db2.gz UXFMGYZEJCLUCK-BZSNNMDCSA-N 2 2 336.476 1.812 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000579975516 448927191 /nfs/dbraw/zinc/92/71/91/448927191.db2.gz UXFMGYZEJCLUCK-BZSNNMDCSA-N 2 2 336.476 1.812 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000579975516 448927196 /nfs/dbraw/zinc/92/71/96/448927196.db2.gz UXFMGYZEJCLUCK-BZSNNMDCSA-N 2 2 336.476 1.812 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000579975516 448927201 /nfs/dbraw/zinc/92/72/01/448927201.db2.gz UXFMGYZEJCLUCK-BZSNNMDCSA-N 2 2 336.476 1.812 20 0 EDADLP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579979163 448928311 /nfs/dbraw/zinc/92/83/11/448928311.db2.gz SFJACCRMXLJROD-GJZGRUSLSA-N 2 2 326.400 1.394 20 0 EDADLP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579979163 448928316 /nfs/dbraw/zinc/92/83/16/448928316.db2.gz SFJACCRMXLJROD-GJZGRUSLSA-N 2 2 326.400 1.394 20 0 EDADLP C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1)n1cc[nH+]c1 ZINC000520414923 448895837 /nfs/dbraw/zinc/89/58/37/448895837.db2.gz AYLSIQCRHPBFSH-HUUCEWRRSA-N 2 2 328.420 1.357 20 0 EDADLP C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1)n1cc[nH+]c1 ZINC000520414923 448895843 /nfs/dbraw/zinc/89/58/43/448895843.db2.gz AYLSIQCRHPBFSH-HUUCEWRRSA-N 2 2 328.420 1.357 20 0 EDADLP CCOc1ccc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000521029715 448947228 /nfs/dbraw/zinc/94/72/28/448947228.db2.gz NVTZHDNOUZCJKN-DZKIICNBSA-N 2 2 340.439 1.784 20 0 EDADLP Cc1onc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000568955399 448942663 /nfs/dbraw/zinc/94/26/63/448942663.db2.gz QMQVYFJTQLCLKX-UHFFFAOYSA-N 2 2 349.479 2.363 20 0 EDADLP Cc1c(Cl)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc2ccccc12 ZINC000582133060 449020994 /nfs/dbraw/zinc/02/09/94/449020994.db2.gz IBOPPLPMIRLYST-JSGCOSHPSA-N 2 2 344.846 1.940 20 0 EDADLP Cc1nc(N)c(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c[nH+]1 ZINC000582183174 449031504 /nfs/dbraw/zinc/03/15/04/449031504.db2.gz CNHNEPZZGKLLGH-CQSZACIVSA-N 2 2 335.477 1.201 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000589650005 449047195 /nfs/dbraw/zinc/04/71/95/449047195.db2.gz PRTIHXAMZPLQQB-GOSISDBHSA-N 2 2 343.475 1.606 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000589650005 449047202 /nfs/dbraw/zinc/04/72/02/449047202.db2.gz PRTIHXAMZPLQQB-GOSISDBHSA-N 2 2 343.475 1.606 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000569612154 449059004 /nfs/dbraw/zinc/05/90/04/449059004.db2.gz UOHQYKJEYSDXDL-CQSZACIVSA-N 2 2 331.254 1.860 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000569612154 449059006 /nfs/dbraw/zinc/05/90/06/449059006.db2.gz UOHQYKJEYSDXDL-CQSZACIVSA-N 2 2 331.254 1.860 20 0 EDADLP C[N@@H+]1CCO[C@H]([C@@H](NC[C@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000530222073 449085583 /nfs/dbraw/zinc/08/55/83/449085583.db2.gz FWHJMWMKVAFYLR-ULQDDVLXSA-N 2 2 339.867 1.290 20 0 EDADLP C[N@H+]1CCO[C@H]([C@@H](NC[C@H]2COCC[NH2+]2)c2ccc(Cl)cc2)C1 ZINC000530222073 449085588 /nfs/dbraw/zinc/08/55/88/449085588.db2.gz FWHJMWMKVAFYLR-ULQDDVLXSA-N 2 2 339.867 1.290 20 0 EDADLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222994 449086986 /nfs/dbraw/zinc/08/69/86/449086986.db2.gz MTPRPRLUIGPYBC-KRWDZBQOSA-N 2 2 334.439 1.920 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000604106278 449178613 /nfs/dbraw/zinc/17/86/13/449178613.db2.gz HDEGAPDPXIRKKY-RDJZCZTQSA-N 2 2 331.464 1.564 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604106278 449178618 /nfs/dbraw/zinc/17/86/18/449178618.db2.gz HDEGAPDPXIRKKY-RDJZCZTQSA-N 2 2 331.464 1.564 20 0 EDADLP CC(C)OC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000593902397 449273551 /nfs/dbraw/zinc/27/35/51/449273551.db2.gz SHABQMZSJFAYHU-HOTGVXAUSA-N 2 2 335.448 1.465 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590847369 449319018 /nfs/dbraw/zinc/31/90/18/449319018.db2.gz NUCUXZXNQQVOOH-SJORKVTESA-N 2 2 349.479 1.586 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000590847369 449319022 /nfs/dbraw/zinc/31/90/22/449319022.db2.gz NUCUXZXNQQVOOH-SJORKVTESA-N 2 2 349.479 1.586 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590851510 449320228 /nfs/dbraw/zinc/32/02/28/449320228.db2.gz ORQFDWQXKXKETF-HZPDHXFCSA-N 2 2 343.431 1.075 20 0 EDADLP COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907699 449278162 /nfs/dbraw/zinc/27/81/62/449278162.db2.gz RSYDWDWMTCXBCG-GDBMZVCRSA-N 2 2 335.448 1.103 20 0 EDADLP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602091091 449337579 /nfs/dbraw/zinc/33/75/79/449337579.db2.gz ZWMXHVJZQJVUHW-CHWSQXEVSA-N 2 2 336.436 1.245 20 0 EDADLP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602091091 449337580 /nfs/dbraw/zinc/33/75/80/449337580.db2.gz ZWMXHVJZQJVUHW-CHWSQXEVSA-N 2 2 336.436 1.245 20 0 EDADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000605878858 449417578 /nfs/dbraw/zinc/41/75/78/449417578.db2.gz IATCNPPAQMIOCF-INIZCTEOSA-N 2 2 332.448 1.591 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000605878858 449417581 /nfs/dbraw/zinc/41/75/81/449417581.db2.gz IATCNPPAQMIOCF-INIZCTEOSA-N 2 2 332.448 1.591 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[N@@H+]3CC[C@@H](O)C3)cn2c1 ZINC000600529787 449427913 /nfs/dbraw/zinc/42/79/13/449427913.db2.gz CWRWPZNXPAHCQR-OAHLLOKOSA-N 2 2 348.472 1.059 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[N@H+]3CC[C@@H](O)C3)cn2c1 ZINC000600529787 449427918 /nfs/dbraw/zinc/42/79/18/449427918.db2.gz CWRWPZNXPAHCQR-OAHLLOKOSA-N 2 2 348.472 1.059 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000606621926 449491332 /nfs/dbraw/zinc/49/13/32/449491332.db2.gz LWXVKKHBDQKXKP-OAHLLOKOSA-N 2 2 343.431 1.720 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n2c1CCCC2 ZINC000598634702 449509951 /nfs/dbraw/zinc/50/99/51/449509951.db2.gz CCRBCGMVNNBIMW-CYBMUJFWSA-N 2 2 328.416 1.912 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c4c(nn3C)CCCC4)C2)CC1 ZINC000602462853 449609272 /nfs/dbraw/zinc/60/92/72/449609272.db2.gz CWZHUBFZVDDMDF-INIZCTEOSA-N 2 2 331.508 1.511 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c4c(nn3C)CCCC4)C2)CC1 ZINC000602462853 449609280 /nfs/dbraw/zinc/60/92/80/449609280.db2.gz CWZHUBFZVDDMDF-INIZCTEOSA-N 2 2 331.508 1.511 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC000614451728 449618095 /nfs/dbraw/zinc/61/80/95/449618095.db2.gz QZMBNMFTDTYJLM-IRXDYDNUSA-N 2 2 346.475 1.467 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)ccc(O)c1F ZINC000617507150 449657515 /nfs/dbraw/zinc/65/75/15/449657515.db2.gz KKZGRULIAHHAGP-NSHDSACASA-N 2 2 329.391 1.672 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)ccc(O)c1F ZINC000617507150 449657521 /nfs/dbraw/zinc/65/75/21/449657521.db2.gz KKZGRULIAHHAGP-NSHDSACASA-N 2 2 329.391 1.672 20 0 EDADLP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)c2ccccc2O1 ZINC000612400683 449680126 /nfs/dbraw/zinc/68/01/26/449680126.db2.gz OZQAHLIAEAQRQR-ZBFHGGJFSA-N 2 2 340.427 1.801 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)cn1 ZINC000601002355 449646689 /nfs/dbraw/zinc/64/66/89/449646689.db2.gz RPRQPPMMXMTMMD-GOSISDBHSA-N 2 2 347.507 1.812 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)cn1 ZINC000601002355 449646696 /nfs/dbraw/zinc/64/66/96/449646696.db2.gz RPRQPPMMXMTMMD-GOSISDBHSA-N 2 2 347.507 1.812 20 0 EDADLP CCCn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000601002355 449646703 /nfs/dbraw/zinc/64/67/03/449646703.db2.gz RPRQPPMMXMTMMD-GOSISDBHSA-N 2 2 347.507 1.812 20 0 EDADLP CCCn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000601002355 449646710 /nfs/dbraw/zinc/64/67/10/449646710.db2.gz RPRQPPMMXMTMMD-GOSISDBHSA-N 2 2 347.507 1.812 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000614612675 449710477 /nfs/dbraw/zinc/71/04/77/449710477.db2.gz YDWYEDRRQUTDIC-RDTXWAMCSA-N 2 2 342.443 1.942 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000614612675 449710482 /nfs/dbraw/zinc/71/04/82/449710482.db2.gz YDWYEDRRQUTDIC-RDTXWAMCSA-N 2 2 342.443 1.942 20 0 EDADLP COC(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1C ZINC000602657662 449734421 /nfs/dbraw/zinc/73/44/21/449734421.db2.gz QRASIJQTUVFNPA-INIZCTEOSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1C ZINC000602657662 449734425 /nfs/dbraw/zinc/73/44/25/449734425.db2.gz QRASIJQTUVFNPA-INIZCTEOSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000602657662 449734429 /nfs/dbraw/zinc/73/44/29/449734429.db2.gz QRASIJQTUVFNPA-INIZCTEOSA-N 2 2 348.491 1.412 20 0 EDADLP COC(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1C ZINC000602657662 449734434 /nfs/dbraw/zinc/73/44/34/449734434.db2.gz QRASIJQTUVFNPA-INIZCTEOSA-N 2 2 348.491 1.412 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)CO1 ZINC000617727060 449783805 /nfs/dbraw/zinc/78/38/05/449783805.db2.gz CQRNDYMLWYJMDX-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)CO1 ZINC000617727060 449783809 /nfs/dbraw/zinc/78/38/09/449783809.db2.gz CQRNDYMLWYJMDX-HOTGVXAUSA-N 2 2 325.497 1.724 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@@H](C(=O)OC(C)(C)C)C3CC3)CC2)C1 ZINC000602790182 449811246 /nfs/dbraw/zinc/81/12/46/449811246.db2.gz GUCSQHCQWYDFKF-IAGOWNOFSA-N 2 2 337.508 1.819 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H](C(=O)OC(C)(C)C)C3CC3)CC2)C1 ZINC000602790182 449811248 /nfs/dbraw/zinc/81/12/48/449811248.db2.gz GUCSQHCQWYDFKF-IAGOWNOFSA-N 2 2 337.508 1.819 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602799309 449819712 /nfs/dbraw/zinc/81/97/12/449819712.db2.gz NWBSUOZFJPFWCJ-MRXNPFEDSA-N 2 2 325.497 1.676 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602799309 449819715 /nfs/dbraw/zinc/81/97/15/449819715.db2.gz NWBSUOZFJPFWCJ-MRXNPFEDSA-N 2 2 325.497 1.676 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000617764431 449824387 /nfs/dbraw/zinc/82/43/87/449824387.db2.gz XDIGOITYUMPFOV-UHFFFAOYSA-N 3 2 343.475 1.545 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000617764431 449824393 /nfs/dbraw/zinc/82/43/93/449824393.db2.gz XDIGOITYUMPFOV-UHFFFAOYSA-N 3 2 343.475 1.545 20 0 EDADLP Cc1oc(-c2ccco2)nc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767261 449831102 /nfs/dbraw/zinc/83/11/02/449831102.db2.gz MRVNFUCKMQRKCR-UHFFFAOYSA-N 2 2 348.447 1.785 20 0 EDADLP Cc1oc(-c2ccco2)nc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767261 449831108 /nfs/dbraw/zinc/83/11/08/449831108.db2.gz MRVNFUCKMQRKCR-UHFFFAOYSA-N 2 2 348.447 1.785 20 0 EDADLP Cn1cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617767517 449831312 /nfs/dbraw/zinc/83/13/12/449831312.db2.gz YTONFLXVQJVKSU-UHFFFAOYSA-N 2 2 330.476 1.721 20 0 EDADLP Cn1cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617767517 449831318 /nfs/dbraw/zinc/83/13/18/449831318.db2.gz YTONFLXVQJVKSU-UHFFFAOYSA-N 2 2 330.476 1.721 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cc2ccccc2[nH]c1=O ZINC000617767333 449832217 /nfs/dbraw/zinc/83/22/17/449832217.db2.gz PRRGEMPGYHZBTH-UHFFFAOYSA-N 2 2 344.459 1.483 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cc2ccccc2[nH]c1=O ZINC000617767333 449832224 /nfs/dbraw/zinc/83/22/24/449832224.db2.gz PRRGEMPGYHZBTH-UHFFFAOYSA-N 2 2 344.459 1.483 20 0 EDADLP COC(=O)c1cc2cc(C[NH+]3CCC([NH2+]CCO)CC3)ccc2o1 ZINC000601328440 449836924 /nfs/dbraw/zinc/83/69/24/449836924.db2.gz PRTVOVPLSBQCOP-UHFFFAOYSA-N 2 2 332.400 1.766 20 0 EDADLP Cc1cnc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000608439023 449839816 /nfs/dbraw/zinc/83/98/16/449839816.db2.gz ZAZMCPKUVXCERR-ZDUSSCGKSA-N 2 2 337.493 1.419 20 0 EDADLP Cc1cnc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000608439023 449839825 /nfs/dbraw/zinc/83/98/25/449839825.db2.gz ZAZMCPKUVXCERR-ZDUSSCGKSA-N 2 2 337.493 1.419 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1 ZINC000617735628 449798287 /nfs/dbraw/zinc/79/82/87/449798287.db2.gz RWPUXZABZDRMHU-JZXOWHBKSA-N 2 2 333.476 1.905 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1 ZINC000617735628 449798290 /nfs/dbraw/zinc/79/82/90/449798290.db2.gz RWPUXZABZDRMHU-JZXOWHBKSA-N 2 2 333.476 1.905 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1 ZINC000617735628 449798295 /nfs/dbraw/zinc/79/82/95/449798295.db2.gz RWPUXZABZDRMHU-JZXOWHBKSA-N 2 2 333.476 1.905 20 0 EDADLP CC[NH+](C)[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)c1ccccc1 ZINC000617735628 449798298 /nfs/dbraw/zinc/79/82/98/449798298.db2.gz RWPUXZABZDRMHU-JZXOWHBKSA-N 2 2 333.476 1.905 20 0 EDADLP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000601350674 449863746 /nfs/dbraw/zinc/86/37/46/449863746.db2.gz ZWFNMWBBJVZKAD-HNNXBMFYSA-N 2 2 349.479 1.124 20 0 EDADLP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000601350674 449863750 /nfs/dbraw/zinc/86/37/50/449863750.db2.gz ZWFNMWBBJVZKAD-HNNXBMFYSA-N 2 2 349.479 1.124 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000599308962 449880363 /nfs/dbraw/zinc/88/03/63/449880363.db2.gz GGACDIVKZNUHGA-GOSISDBHSA-N 2 2 348.466 1.548 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000599308962 449880366 /nfs/dbraw/zinc/88/03/66/449880366.db2.gz GGACDIVKZNUHGA-GOSISDBHSA-N 2 2 348.466 1.548 20 0 EDADLP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000612963937 449958958 /nfs/dbraw/zinc/95/89/58/449958958.db2.gz MZUSDQYTTDCPQC-HNNXBMFYSA-N 2 2 334.489 1.717 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000615107817 449961745 /nfs/dbraw/zinc/96/17/45/449961745.db2.gz JYVCTVFJRGVAGV-BRWVUGGUSA-N 2 2 340.427 1.729 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000615107817 449961752 /nfs/dbraw/zinc/96/17/52/449961752.db2.gz JYVCTVFJRGVAGV-BRWVUGGUSA-N 2 2 340.427 1.729 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC(=O)Nc1ccccc1 ZINC000609157584 449970421 /nfs/dbraw/zinc/97/04/21/449970421.db2.gz HKBVGJNLXRRAPP-OAHLLOKOSA-N 2 2 327.388 1.868 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC(=O)Nc1ccccc1 ZINC000609157584 449970427 /nfs/dbraw/zinc/97/04/27/449970427.db2.gz HKBVGJNLXRRAPP-OAHLLOKOSA-N 2 2 327.388 1.868 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)OC ZINC000609258428 449985831 /nfs/dbraw/zinc/98/58/31/449985831.db2.gz VJCBJGJVPPLQPS-DZKIICNBSA-N 2 2 336.436 1.224 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)C(=O)OC ZINC000609258428 449985840 /nfs/dbraw/zinc/98/58/40/449985840.db2.gz VJCBJGJVPPLQPS-DZKIICNBSA-N 2 2 336.436 1.224 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346421 450060301 /nfs/dbraw/zinc/06/03/01/450060301.db2.gz IOWYILPMRVYDJB-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346421 450060302 /nfs/dbraw/zinc/06/03/02/450060302.db2.gz IOWYILPMRVYDJB-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346421 450060303 /nfs/dbraw/zinc/06/03/03/450060303.db2.gz IOWYILPMRVYDJB-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595346421 450060304 /nfs/dbraw/zinc/06/03/04/450060304.db2.gz IOWYILPMRVYDJB-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000595347739 450061737 /nfs/dbraw/zinc/06/17/37/450061737.db2.gz WKCHBZHMEVENSU-CQSZACIVSA-N 2 2 348.447 1.532 20 0 EDADLP COC(=O)c1ccc([C@H](C)[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000609672693 450082182 /nfs/dbraw/zinc/08/21/82/450082182.db2.gz KPQPIEIRLIKAFR-GJZGRUSLSA-N 2 2 335.448 1.839 20 0 EDADLP COC(=O)c1ccc([C@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000609672693 450082188 /nfs/dbraw/zinc/08/21/88/450082188.db2.gz KPQPIEIRLIKAFR-GJZGRUSLSA-N 2 2 335.448 1.839 20 0 EDADLP COC(=O)c1c[nH]c2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])ccc12 ZINC000599615780 450105833 /nfs/dbraw/zinc/10/58/33/450105833.db2.gz NCPCUPCQBPJRSE-GFCCVEGCSA-N 2 2 345.403 1.061 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)CN3CCOCC3)c2cc1C ZINC000613361484 450148961 /nfs/dbraw/zinc/14/89/61/450148961.db2.gz MXWLUXMMDJYIST-IRXDYDNUSA-N 2 2 346.475 1.324 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC(=O)NCC(F)(F)F ZINC000610581908 450267079 /nfs/dbraw/zinc/26/70/79/450267079.db2.gz SMVAXXAOAMSQSI-NSHDSACASA-N 2 2 347.341 1.298 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC(=O)NCC(F)(F)F ZINC000610581908 450267081 /nfs/dbraw/zinc/26/70/81/450267081.db2.gz SMVAXXAOAMSQSI-NSHDSACASA-N 2 2 347.341 1.298 20 0 EDADLP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000603916559 450376700 /nfs/dbraw/zinc/37/67/00/450376700.db2.gz ZCSAHFCYOXPBOL-MRXNPFEDSA-N 2 2 325.416 1.574 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000603916559 450376703 /nfs/dbraw/zinc/37/67/03/450376703.db2.gz ZCSAHFCYOXPBOL-MRXNPFEDSA-N 2 2 325.416 1.574 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3Cc4c[nH+]cn4C3)CC2)[nH+]c1 ZINC000623265959 450470134 /nfs/dbraw/zinc/47/01/34/450470134.db2.gz OLLSFCQFFRMRMG-OAHLLOKOSA-N 2 2 325.416 1.544 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)[NH+]1CCOCC1 ZINC000623306129 450490969 /nfs/dbraw/zinc/49/09/69/450490969.db2.gz GZFCNGJCFUFKCO-RDJZCZTQSA-N 2 2 334.464 1.451 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)C(C)(C)CO ZINC000616865495 450503311 /nfs/dbraw/zinc/50/33/11/450503311.db2.gz VLQPHDHCFGCDSZ-GXTWGEPZSA-N 2 2 340.493 1.033 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)C(C)(C)CO ZINC000616865495 450503314 /nfs/dbraw/zinc/50/33/14/450503314.db2.gz VLQPHDHCFGCDSZ-GXTWGEPZSA-N 2 2 340.493 1.033 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000616926449 450516858 /nfs/dbraw/zinc/51/68/58/450516858.db2.gz CJVUVSVLMLMYHV-QGZVFWFLSA-N 2 2 328.416 1.566 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000616926449 450516860 /nfs/dbraw/zinc/51/68/60/450516860.db2.gz CJVUVSVLMLMYHV-QGZVFWFLSA-N 2 2 328.416 1.566 20 0 EDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623494675 450531721 /nfs/dbraw/zinc/53/17/21/450531721.db2.gz ZDLPYKRDXKOUSD-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623494675 450531724 /nfs/dbraw/zinc/53/17/24/450531724.db2.gz ZDLPYKRDXKOUSD-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623494675 450531728 /nfs/dbraw/zinc/53/17/28/450531728.db2.gz ZDLPYKRDXKOUSD-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623494675 450531730 /nfs/dbraw/zinc/53/17/30/450531730.db2.gz ZDLPYKRDXKOUSD-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625944129 450539333 /nfs/dbraw/zinc/53/93/33/450539333.db2.gz KRHLEENXGKKJIR-UHFFFAOYSA-N 2 2 329.404 1.967 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000623601604 450549228 /nfs/dbraw/zinc/54/92/28/450549228.db2.gz JQVGNKCSUMBJTG-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000623601604 450549231 /nfs/dbraw/zinc/54/92/31/450549231.db2.gz JQVGNKCSUMBJTG-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623601604 450549234 /nfs/dbraw/zinc/54/92/34/450549234.db2.gz JQVGNKCSUMBJTG-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623601604 450549236 /nfs/dbraw/zinc/54/92/36/450549236.db2.gz JQVGNKCSUMBJTG-SJLPKXTDSA-N 2 2 346.475 1.233 20 0 EDADLP FCC[C@@H]1C[NH+](CCOCC[N@@H+]2CCO[C@@H](CCF)C2)CCO1 ZINC000626004286 450552722 /nfs/dbraw/zinc/55/27/22/450552722.db2.gz DCBHNXKFZVRVNU-IYBDPMFKSA-N 2 2 336.423 1.124 20 0 EDADLP FCC[C@@H]1C[NH+](CCOCC[N@H+]2CCO[C@@H](CCF)C2)CCO1 ZINC000626004286 450552724 /nfs/dbraw/zinc/55/27/24/450552724.db2.gz DCBHNXKFZVRVNU-IYBDPMFKSA-N 2 2 336.423 1.124 20 0 EDADLP FCC[C@@H]1C[N@H+](CCOCC[NH+]2CCO[C@@H](CCF)C2)CCO1 ZINC000626004286 450552725 /nfs/dbraw/zinc/55/27/25/450552725.db2.gz DCBHNXKFZVRVNU-IYBDPMFKSA-N 2 2 336.423 1.124 20 0 EDADLP FCC[C@@H]1C[N@@H+](CCOCC[NH+]2CCO[C@@H](CCF)C2)CCO1 ZINC000626004286 450552726 /nfs/dbraw/zinc/55/27/26/450552726.db2.gz DCBHNXKFZVRVNU-IYBDPMFKSA-N 2 2 336.423 1.124 20 0 EDADLP CC1([NH+]2CCCC2)CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000631445230 450595144 /nfs/dbraw/zinc/59/51/44/450595144.db2.gz IFOALUVHWYOODX-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP COC[C@@]1(C)C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000626176890 450610961 /nfs/dbraw/zinc/61/09/61/450610961.db2.gz YYYQNALBCMJMDL-IEBWSBKVSA-N 2 2 349.475 1.143 20 0 EDADLP COC[C@@]1(C)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000626176890 450610967 /nfs/dbraw/zinc/61/09/67/450610967.db2.gz YYYQNALBCMJMDL-IEBWSBKVSA-N 2 2 349.475 1.143 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000633015360 450612338 /nfs/dbraw/zinc/61/23/38/450612338.db2.gz CYVMPDXEGLIPSQ-GJZGRUSLSA-N 2 2 337.468 1.688 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000633015360 450612340 /nfs/dbraw/zinc/61/23/40/450612340.db2.gz CYVMPDXEGLIPSQ-GJZGRUSLSA-N 2 2 337.468 1.688 20 0 EDADLP Cc1oc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1CO ZINC000631530071 450637998 /nfs/dbraw/zinc/63/79/98/450637998.db2.gz MJEKHXNWWBYPDZ-UHFFFAOYSA-N 2 2 349.475 1.760 20 0 EDADLP Brc1c[nH+]ccc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000631531321 450638870 /nfs/dbraw/zinc/63/88/70/450638870.db2.gz GLPAOPOIJIVCOV-UHFFFAOYSA-N 2 2 348.248 1.999 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000629386121 450642011 /nfs/dbraw/zinc/64/20/11/450642011.db2.gz MJEUGJHBGKYIBV-GOSISDBHSA-N 2 2 342.443 1.143 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000629386121 450642012 /nfs/dbraw/zinc/64/20/12/450642012.db2.gz MJEUGJHBGKYIBV-GOSISDBHSA-N 2 2 342.443 1.143 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(C)(F)CC3)C2)CC1 ZINC000633043108 450642128 /nfs/dbraw/zinc/64/21/28/450642128.db2.gz WFILUWYKHWVQFZ-AWEZNQCLSA-N 2 2 326.460 1.689 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(C)(F)CC3)C2)CC1 ZINC000633043108 450642131 /nfs/dbraw/zinc/64/21/31/450642131.db2.gz WFILUWYKHWVQFZ-AWEZNQCLSA-N 2 2 326.460 1.689 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000629414230 450660013 /nfs/dbraw/zinc/66/00/13/450660013.db2.gz IYOHTHQOQKEBSS-INIZCTEOSA-N 2 2 334.464 1.938 20 0 EDADLP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000633085928 450670455 /nfs/dbraw/zinc/67/04/55/450670455.db2.gz HMPVHODHCIDPOY-KGLIPLIRSA-N 2 2 333.436 1.193 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635126766 450672724 /nfs/dbraw/zinc/67/27/24/450672724.db2.gz IVLSRXAZFLXTCA-UHFFFAOYSA-N 2 2 345.487 1.990 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000635129270 450674626 /nfs/dbraw/zinc/67/46/26/450674626.db2.gz PVYUPTQQLREQME-GOSISDBHSA-N 2 2 331.460 1.872 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000635129270 450674631 /nfs/dbraw/zinc/67/46/31/450674631.db2.gz PVYUPTQQLREQME-GOSISDBHSA-N 2 2 331.460 1.872 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000635139357 450683959 /nfs/dbraw/zinc/68/39/59/450683959.db2.gz SWXBDTLUZNEIOD-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000635139357 450683966 /nfs/dbraw/zinc/68/39/66/450683966.db2.gz SWXBDTLUZNEIOD-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000635139357 450683972 /nfs/dbraw/zinc/68/39/72/450683972.db2.gz SWXBDTLUZNEIOD-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000635139357 450683977 /nfs/dbraw/zinc/68/39/77/450683977.db2.gz SWXBDTLUZNEIOD-MSOLQXFVSA-N 2 2 331.460 1.345 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000626361484 450703890 /nfs/dbraw/zinc/70/38/90/450703890.db2.gz IBQBASDDHJPUMB-OAHLLOKOSA-N 2 2 329.404 1.275 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000626361484 450703893 /nfs/dbraw/zinc/70/38/93/450703893.db2.gz IBQBASDDHJPUMB-OAHLLOKOSA-N 2 2 329.404 1.275 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621381915 450708772 /nfs/dbraw/zinc/70/87/72/450708772.db2.gz CJYBXAWYJFABQL-UHFFFAOYSA-N 2 2 331.395 1.252 20 0 EDADLP NC(=O)c1cc(F)ccc1N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000621382759 450709952 /nfs/dbraw/zinc/70/99/52/450709952.db2.gz AWSMFCAMXUYPJQ-UHFFFAOYSA-N 2 2 348.466 1.923 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)c2[nH+]ccn2C)c1 ZINC000635171351 450716315 /nfs/dbraw/zinc/71/63/15/450716315.db2.gz PZAHJZPULMIDRN-RDTXWAMCSA-N 2 2 342.443 1.976 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)c2[nH+]ccn2C)c1 ZINC000635171351 450716320 /nfs/dbraw/zinc/71/63/20/450716320.db2.gz PZAHJZPULMIDRN-RDTXWAMCSA-N 2 2 342.443 1.976 20 0 EDADLP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)n1cncn1 ZINC000631690702 450716642 /nfs/dbraw/zinc/71/66/42/450716642.db2.gz IISLSCHYFDMRAX-KGLIPLIRSA-N 2 2 347.385 1.615 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542951 450729500 /nfs/dbraw/zinc/72/95/00/450729500.db2.gz PZICLQFSFBLQNQ-HZSPNIEDSA-N 2 2 325.478 1.742 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000629546216 450729557 /nfs/dbraw/zinc/72/95/57/450729557.db2.gz QKYQJDNDXWTETN-GDBMZVCRSA-N 2 2 337.489 1.874 20 0 EDADLP C(c1nc(C2CCCC2)no1)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000629552369 450732309 /nfs/dbraw/zinc/73/23/09/450732309.db2.gz IOEDALVFSKRIJW-INIZCTEOSA-N 2 2 334.464 1.970 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560324 450736467 /nfs/dbraw/zinc/73/64/67/450736467.db2.gz QWMFOVBLQSZFAY-WOJBJXKFSA-N 3 2 331.504 1.597 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560324 450736470 /nfs/dbraw/zinc/73/64/70/450736470.db2.gz QWMFOVBLQSZFAY-WOJBJXKFSA-N 3 2 331.504 1.597 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)n1 ZINC000629654109 450772220 /nfs/dbraw/zinc/77/22/20/450772220.db2.gz VCLBKZBMRUTOAE-UHFFFAOYSA-N 2 2 328.294 1.671 20 0 EDADLP O=C1[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1c1ccccc1Cl ZINC000629563650 450737825 /nfs/dbraw/zinc/73/78/25/450737825.db2.gz PXIQBJDGTYZZHO-ZFWWWQNUSA-N 2 2 337.851 1.492 20 0 EDADLP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(OC[C@@H]2CCOC2)c1 ZINC000629568241 450741409 /nfs/dbraw/zinc/74/14/09/450741409.db2.gz OWOQUAPRZZZZAX-MJGOQNOKSA-N 2 2 348.487 1.957 20 0 EDADLP C[NH+](C)CCCS(=O)(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000631760264 450755971 /nfs/dbraw/zinc/75/59/71/450755971.db2.gz UOGHXFZGANBPLX-UHFFFAOYSA-N 2 2 340.493 1.443 20 0 EDADLP O=C([C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCO)CC1)N1CCCCC1 ZINC000631866091 450834984 /nfs/dbraw/zinc/83/49/84/450834984.db2.gz LSIXGFFNNWQZBS-LJQANCHMSA-N 2 2 345.487 1.787 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1OC ZINC000631869946 450837896 /nfs/dbraw/zinc/83/78/96/450837896.db2.gz ZVDHMZWCMFHVTC-BEFAXECRSA-N 2 2 347.459 1.394 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631885640 450845467 /nfs/dbraw/zinc/84/54/67/450845467.db2.gz AHZNQOOAKZSPSJ-MSOLQXFVSA-N 2 2 331.460 1.523 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631885640 450845471 /nfs/dbraw/zinc/84/54/71/450845471.db2.gz AHZNQOOAKZSPSJ-MSOLQXFVSA-N 2 2 331.460 1.523 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885554 450846059 /nfs/dbraw/zinc/84/60/59/450846059.db2.gz BTVIZKTUMGFANQ-DOTOQJQBSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885554 450846062 /nfs/dbraw/zinc/84/60/62/450846062.db2.gz BTVIZKTUMGFANQ-DOTOQJQBSA-N 2 2 331.460 1.728 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C3CCOCC3)C[C@@H]1C)CC2 ZINC000626686255 450852601 /nfs/dbraw/zinc/85/26/01/450852601.db2.gz CBEYKRCGNRQWBT-JKSUJKDBSA-N 2 2 346.475 1.466 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C3CCOCC3)C[C@@H]1C)CC2 ZINC000626686255 450852605 /nfs/dbraw/zinc/85/26/05/450852605.db2.gz CBEYKRCGNRQWBT-JKSUJKDBSA-N 2 2 346.475 1.466 20 0 EDADLP Cn1cnc2c1ncnc2NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000624504247 450872149 /nfs/dbraw/zinc/87/21/49/450872149.db2.gz HKJOAJIUVHHYCI-UHFFFAOYSA-N 2 2 329.452 1.334 20 0 EDADLP Cc1nc(C)c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)[nH]1 ZINC000621933136 450944102 /nfs/dbraw/zinc/94/41/02/450944102.db2.gz WJYAFRJCWHFAHW-XYPWUTKMSA-N 2 2 331.464 1.410 20 0 EDADLP Cc1nc(C)c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]1 ZINC000621933136 450944106 /nfs/dbraw/zinc/94/41/06/450944106.db2.gz WJYAFRJCWHFAHW-XYPWUTKMSA-N 2 2 331.464 1.410 20 0 EDADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cc[nH+]c1 ZINC000635552124 451048055 /nfs/dbraw/zinc/04/80/55/451048055.db2.gz RQRQYZCCDDECOZ-AEFFLSMTSA-N 3 2 347.507 1.755 20 0 EDADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cc[nH+]c1 ZINC000635552124 451048059 /nfs/dbraw/zinc/04/80/59/451048059.db2.gz RQRQYZCCDDECOZ-AEFFLSMTSA-N 3 2 347.507 1.755 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000627087973 451118603 /nfs/dbraw/zinc/11/86/03/451118603.db2.gz MSYMPAYPXBJQGE-KGLIPLIRSA-N 2 2 334.468 1.889 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000635633927 451123189 /nfs/dbraw/zinc/12/31/89/451123189.db2.gz NQSJDTWSEKDGRM-AOIWGVFYSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000635633927 451123194 /nfs/dbraw/zinc/12/31/94/451123194.db2.gz NQSJDTWSEKDGRM-AOIWGVFYSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000635633927 451123198 /nfs/dbraw/zinc/12/31/98/451123198.db2.gz NQSJDTWSEKDGRM-AOIWGVFYSA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000635633927 451123204 /nfs/dbraw/zinc/12/32/04/451123204.db2.gz NQSJDTWSEKDGRM-AOIWGVFYSA-N 2 2 343.471 1.965 20 0 EDADLP CC(C)C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)n1cc[nH+]c1 ZINC000635645875 451132441 /nfs/dbraw/zinc/13/24/41/451132441.db2.gz YZMBJEPJGKKXNN-QGZVFWFLSA-N 2 2 334.464 1.794 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(Nc3ccccc3)CC2)CC1 ZINC000635670810 451155669 /nfs/dbraw/zinc/15/56/69/451155669.db2.gz XBDSLKMBBXPBIM-UHFFFAOYSA-N 2 2 330.476 1.773 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000627164284 451158564 /nfs/dbraw/zinc/15/85/64/451158564.db2.gz KZULAQCKCMXQQG-DLBZAZTESA-N 2 2 334.439 1.793 20 0 EDADLP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)CC1 ZINC000634092834 451189877 /nfs/dbraw/zinc/18/98/77/451189877.db2.gz DZZWNEKFLQPYKZ-CYBMUJFWSA-N 2 2 328.420 1.547 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248414 451207777 /nfs/dbraw/zinc/20/77/77/451207777.db2.gz GBVFCVDTHJRMNZ-SJLPKXTDSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@H]3CCCC[C@@H]3O)c2)CC1 ZINC000634193052 451228311 /nfs/dbraw/zinc/22/83/11/451228311.db2.gz DLJOUVGEEBHIGQ-ZBFHGGJFSA-N 2 2 332.448 1.713 20 0 EDADLP C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634197934 451233744 /nfs/dbraw/zinc/23/37/44/451233744.db2.gz NKQVKDVRJDUCEZ-CYBMUJFWSA-N 2 2 347.463 1.323 20 0 EDADLP C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634197936 451234146 /nfs/dbraw/zinc/23/41/46/451234146.db2.gz NKQVKDVRJDUCEZ-ZDUSSCGKSA-N 2 2 347.463 1.323 20 0 EDADLP CC[NH2+][C@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000638103138 451270901 /nfs/dbraw/zinc/27/09/01/451270901.db2.gz KWRALRRTMCWWRA-DLBZAZTESA-N 2 2 333.476 1.734 20 0 EDADLP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000634297860 451283776 /nfs/dbraw/zinc/28/37/76/451283776.db2.gz GYURDRDQSLAHMV-QGZVFWFLSA-N 2 2 346.475 1.535 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NCCCNc2ccc(C)c[nH+]2)c1 ZINC000638116998 451284562 /nfs/dbraw/zinc/28/45/62/451284562.db2.gz RBMGXBJFZUCHQJ-KRWDZBQOSA-N 2 2 328.416 2.017 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638123211 451293603 /nfs/dbraw/zinc/29/36/03/451293603.db2.gz PEUAFIGTEXFJFN-GOSISDBHSA-N 2 2 343.475 1.547 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC1([NH+]2CCOCC2)CC1 ZINC000635858075 451304654 /nfs/dbraw/zinc/30/46/54/451304654.db2.gz BVHKPXHLKNOJNB-GFCCVEGCSA-N 2 2 346.353 1.358 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638139219 451314892 /nfs/dbraw/zinc/31/48/92/451314892.db2.gz KFWAOVIUWFLWDH-KGLIPLIRSA-N 2 2 344.381 1.067 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638139219 451314897 /nfs/dbraw/zinc/31/48/97/451314897.db2.gz KFWAOVIUWFLWDH-KGLIPLIRSA-N 2 2 344.381 1.067 20 0 EDADLP Cn1c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc2ccccc21 ZINC000638146898 451321319 /nfs/dbraw/zinc/32/13/19/451321319.db2.gz QGBQAQPQARXGOA-IBGZPJMESA-N 2 2 340.471 1.917 20 0 EDADLP Cn1c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc2ccccc21 ZINC000638146898 451321323 /nfs/dbraw/zinc/32/13/23/451321323.db2.gz QGBQAQPQARXGOA-IBGZPJMESA-N 2 2 340.471 1.917 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[N@@H+]1CCc2sccc2C1 ZINC000636588710 451330314 /nfs/dbraw/zinc/33/03/14/451330314.db2.gz LTGDIAUYHRXQKU-JSGCOSHPSA-N 2 2 345.472 1.615 20 0 EDADLP C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[N@H+]1CCc2sccc2C1 ZINC000636588710 451330319 /nfs/dbraw/zinc/33/03/19/451330319.db2.gz LTGDIAUYHRXQKU-JSGCOSHPSA-N 2 2 345.472 1.615 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000635914992 451359977 /nfs/dbraw/zinc/35/99/77/451359977.db2.gz RQIOKQLPXHWTEQ-OLZOCXBDSA-N 2 2 348.369 1.340 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000635917610 451364068 /nfs/dbraw/zinc/36/40/68/451364068.db2.gz GYOXOVVTYPCMLL-YJBOKZPZSA-N 2 2 340.427 1.597 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000635917610 451364074 /nfs/dbraw/zinc/36/40/74/451364074.db2.gz GYOXOVVTYPCMLL-YJBOKZPZSA-N 2 2 340.427 1.597 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[C@@H]1CCSC1 ZINC000640515723 451366676 /nfs/dbraw/zinc/36/66/76/451366676.db2.gz HFCGFJWTNCZAQB-RBSFLKMASA-N 2 2 341.521 1.039 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C)[C@@H]1CCSC1 ZINC000640515723 451366678 /nfs/dbraw/zinc/36/66/78/451366678.db2.gz HFCGFJWTNCZAQB-RBSFLKMASA-N 2 2 341.521 1.039 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000635929191 451371409 /nfs/dbraw/zinc/37/14/09/451371409.db2.gz RXHDOHUIJMOXFZ-AGIUHOORSA-N 2 2 346.353 1.044 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000635929191 451371414 /nfs/dbraw/zinc/37/14/14/451371414.db2.gz RXHDOHUIJMOXFZ-AGIUHOORSA-N 2 2 346.353 1.044 20 0 EDADLP CC(C)C[C@@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)n1cc[nH+]c1 ZINC000635896354 451340680 /nfs/dbraw/zinc/34/06/80/451340680.db2.gz SUUOGQWAJIOVSQ-INIZCTEOSA-N 2 2 335.496 1.613 20 0 EDADLP CC(C)C[C@@H](C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)n1cc[nH+]c1 ZINC000635896354 451340684 /nfs/dbraw/zinc/34/06/84/451340684.db2.gz SUUOGQWAJIOVSQ-INIZCTEOSA-N 2 2 335.496 1.613 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000638288104 451404726 /nfs/dbraw/zinc/40/47/26/451404726.db2.gz JJPSJIGSLFYWNC-CYBMUJFWSA-N 2 2 337.518 1.986 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)[C@@H](C)C1 ZINC000632565230 451405557 /nfs/dbraw/zinc/40/55/57/451405557.db2.gz AEAHOMQNBGWNAV-UONOGXRCSA-N 2 2 328.416 1.604 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)[C@@H](C)C1 ZINC000632565230 451405561 /nfs/dbraw/zinc/40/55/61/451405561.db2.gz AEAHOMQNBGWNAV-UONOGXRCSA-N 2 2 328.416 1.604 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)cc1 ZINC000635990840 451422483 /nfs/dbraw/zinc/42/24/83/451422483.db2.gz CUQBGTRDSFMFEQ-RYQLBKOJSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)cc1 ZINC000635990840 451422488 /nfs/dbraw/zinc/42/24/88/451422488.db2.gz CUQBGTRDSFMFEQ-RYQLBKOJSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000635990840 451422490 /nfs/dbraw/zinc/42/24/90/451422490.db2.gz CUQBGTRDSFMFEQ-RYQLBKOJSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC000635990840 451422493 /nfs/dbraw/zinc/42/24/93/451422493.db2.gz CUQBGTRDSFMFEQ-RYQLBKOJSA-N 2 2 329.444 1.432 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000640577665 451423019 /nfs/dbraw/zinc/42/30/19/451423019.db2.gz VPARTGBGHNAMEO-HNNXBMFYSA-N 2 2 333.436 1.082 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccnc(C[NH+](C)C)c2)C1 ZINC000640605138 451451590 /nfs/dbraw/zinc/45/15/90/451451590.db2.gz RENOLYFEUCTAHA-QGZVFWFLSA-N 2 2 349.479 1.622 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccnc(C[NH+](C)C)c2)C1 ZINC000640605138 451451596 /nfs/dbraw/zinc/45/15/96/451451596.db2.gz RENOLYFEUCTAHA-QGZVFWFLSA-N 2 2 349.479 1.622 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638361223 451460078 /nfs/dbraw/zinc/46/00/78/451460078.db2.gz ZPSMQMNZECGTJP-UHFFFAOYSA-N 3 2 340.556 1.229 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N(C)C[C@H]2CCC[NH+]2C)cc1 ZINC000636052366 451467676 /nfs/dbraw/zinc/46/76/76/451467676.db2.gz CQIIUICJNGSMAU-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(C)C[C@H]2CCC[NH+]2C)cc1 ZINC000636052366 451467678 /nfs/dbraw/zinc/46/76/78/451467678.db2.gz CQIIUICJNGSMAU-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000636052366 451467692 /nfs/dbraw/zinc/46/76/92/451467692.db2.gz CQIIUICJNGSMAU-AEFFLSMTSA-N 2 2 331.460 1.822 20 0 EDADLP C[C@](O)(C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000634699010 451470595 /nfs/dbraw/zinc/47/05/95/451470595.db2.gz CXMVBMDMHCMJHL-UXHICEINSA-N 2 2 348.487 1.520 20 0 EDADLP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634698934 451471043 /nfs/dbraw/zinc/47/10/43/451471043.db2.gz BKTVBHUUCTTZNM-UYAOXDASSA-N 3 2 331.504 1.945 20 0 EDADLP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634698934 451471044 /nfs/dbraw/zinc/47/10/44/451471044.db2.gz BKTVBHUUCTTZNM-UYAOXDASSA-N 3 2 331.504 1.945 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379769 451475387 /nfs/dbraw/zinc/47/53/87/451475387.db2.gz MZGUOMPAEPIHFC-TVRKMHQQSA-N 2 2 330.476 1.176 20 0 EDADLP CCO[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@H]1C[NH3+] ZINC000638390972 451481996 /nfs/dbraw/zinc/48/19/96/451481996.db2.gz OWLSFSOZOBKIGQ-MLGOLLRUSA-N 2 2 330.388 1.014 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000628922508 451486908 /nfs/dbraw/zinc/48/69/08/451486908.db2.gz XDEIZEWEEQCYLR-WMZOPIPTSA-N 2 2 349.450 1.485 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000628922508 451486916 /nfs/dbraw/zinc/48/69/16/451486916.db2.gz XDEIZEWEEQCYLR-WMZOPIPTSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000628922508 451486924 /nfs/dbraw/zinc/48/69/24/451486924.db2.gz XDEIZEWEEQCYLR-WMZOPIPTSA-N 2 2 349.450 1.485 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000628922508 451486930 /nfs/dbraw/zinc/48/69/30/451486930.db2.gz XDEIZEWEEQCYLR-WMZOPIPTSA-N 2 2 349.450 1.485 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2COCC[NH+]2C)cc1)C(C)C ZINC000628921811 451486957 /nfs/dbraw/zinc/48/69/57/451486957.db2.gz MABFXKRIWIUMOF-GOSISDBHSA-N 2 2 333.476 1.977 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2COCC[NH+]2C)cc1)C(C)C ZINC000628921811 451486963 /nfs/dbraw/zinc/48/69/63/451486963.db2.gz MABFXKRIWIUMOF-GOSISDBHSA-N 2 2 333.476 1.977 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1)C(C)C ZINC000628921811 451486969 /nfs/dbraw/zinc/48/69/69/451486969.db2.gz MABFXKRIWIUMOF-GOSISDBHSA-N 2 2 333.476 1.977 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1)C(C)C ZINC000628921811 451486973 /nfs/dbraw/zinc/48/69/73/451486973.db2.gz MABFXKRIWIUMOF-GOSISDBHSA-N 2 2 333.476 1.977 20 0 EDADLP Cc1oc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1CO ZINC000630862937 451445502 /nfs/dbraw/zinc/44/55/02/451445502.db2.gz OGQLJDVNTGTAEQ-UHFFFAOYSA-N 2 2 335.448 1.369 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000631036276 451545136 /nfs/dbraw/zinc/54/51/36/451545136.db2.gz YVEHATWTLROHLI-UHFFFAOYSA-N 2 2 329.448 1.981 20 0 EDADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631052855 451555728 /nfs/dbraw/zinc/55/57/28/451555728.db2.gz TUUHOSDORZDWTB-SFHVURJKSA-N 3 2 333.476 1.581 20 0 EDADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631052855 451555734 /nfs/dbraw/zinc/55/57/34/451555734.db2.gz TUUHOSDORZDWTB-SFHVURJKSA-N 3 2 333.476 1.581 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000636874626 451573930 /nfs/dbraw/zinc/57/39/30/451573930.db2.gz UNEYSAYLGFRXAG-KRWDZBQOSA-N 2 2 346.475 1.665 20 0 EDADLP C[NH2+]CCOCCN(C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000638593920 451596018 /nfs/dbraw/zinc/59/60/18/451596018.db2.gz YQMSLEXYSYYPHM-UHFFFAOYSA-N 2 2 330.432 1.168 20 0 EDADLP C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631120780 451596220 /nfs/dbraw/zinc/59/62/20/451596220.db2.gz DCOCIIAAUAUWIO-LPHOPBHVSA-N 2 2 334.460 1.912 20 0 EDADLP C[C@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCC(=O)N1 ZINC000631155254 451614640 /nfs/dbraw/zinc/61/46/40/451614640.db2.gz MKWNJJODKYGFLJ-LJQANCHMSA-N 2 2 347.459 1.156 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000631230592 451652529 /nfs/dbraw/zinc/65/25/29/451652529.db2.gz YXRDYMCSDGMZNO-GDBMZVCRSA-N 2 2 325.478 1.351 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000631230592 451652531 /nfs/dbraw/zinc/65/25/31/451652531.db2.gz YXRDYMCSDGMZNO-GDBMZVCRSA-N 2 2 325.478 1.351 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2cccc(C(F)(F)F)c2C1 ZINC000638688158 451655021 /nfs/dbraw/zinc/65/50/21/451655021.db2.gz VSGFZBWFRCSPNO-CQSZACIVSA-N 2 2 329.366 1.869 20 0 EDADLP COc1cccnc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247536 451661099 /nfs/dbraw/zinc/66/10/99/451661099.db2.gz WPMWEEFRGTZXFQ-OAHLLOKOSA-N 2 2 332.448 1.331 20 0 EDADLP COc1cccnc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247536 451661101 /nfs/dbraw/zinc/66/11/01/451661101.db2.gz WPMWEEFRGTZXFQ-OAHLLOKOSA-N 2 2 332.448 1.331 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636293155 451661443 /nfs/dbraw/zinc/66/14/43/451661443.db2.gz JOVXUFJBQCPWOQ-QGZVFWFLSA-N 2 2 339.443 1.227 20 0 EDADLP CCC[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)OCC ZINC000636985357 451661849 /nfs/dbraw/zinc/66/18/49/451661849.db2.gz ACDORGXIWDVCOP-MRXNPFEDSA-N 2 2 328.501 1.517 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636987636 451663723 /nfs/dbraw/zinc/66/37/23/451663723.db2.gz QCBWZMIQDMYLMX-AYDFFVQHSA-N 2 2 326.485 1.124 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)O1 ZINC000632978444 451675135 /nfs/dbraw/zinc/67/51/35/451675135.db2.gz GEDJUSLBTXLHHR-CPUCHLNUSA-N 2 2 338.496 1.410 20 0 EDADLP CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639140007 451775555 /nfs/dbraw/zinc/77/55/55/451775555.db2.gz RPNAOXNRUXLUSQ-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP CC1(C)CNC(=O)C[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639140007 451775557 /nfs/dbraw/zinc/77/55/57/451775557.db2.gz RPNAOXNRUXLUSQ-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)[C@H](C)O1 ZINC000638944047 451741164 /nfs/dbraw/zinc/74/11/64/451741164.db2.gz NUUFHHUZBYGKFV-IDCJVQTKSA-N 2 2 342.443 1.483 20 0 EDADLP Cn1ncc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1C1CC1 ZINC000638988351 451747727 /nfs/dbraw/zinc/74/77/27/451747727.db2.gz WKSQNJHCLXMQTF-UHFFFAOYSA-N 2 2 326.404 1.354 20 0 EDADLP [NH3+]CC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000638997801 451750023 /nfs/dbraw/zinc/75/00/23/451750023.db2.gz XQCARRMAMOJWCU-KRWDZBQOSA-N 2 2 331.460 1.665 20 0 EDADLP [NH3+]CC1(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000638997801 451750027 /nfs/dbraw/zinc/75/00/27/451750027.db2.gz XQCARRMAMOJWCU-KRWDZBQOSA-N 2 2 331.460 1.665 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000639022568 451753305 /nfs/dbraw/zinc/75/33/05/451753305.db2.gz JPAZJCBJKMUSIE-IRXDYDNUSA-N 2 2 345.491 1.233 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000639110461 451769936 /nfs/dbraw/zinc/76/99/36/451769936.db2.gz PYLRBXPCDOEBLS-HNNXBMFYSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC(=O)N1C ZINC000639139193 451774857 /nfs/dbraw/zinc/77/48/57/451774857.db2.gz JXRYICUGSAIWHU-MRXNPFEDSA-N 2 2 347.459 1.060 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC(=O)N1C ZINC000639139193 451774859 /nfs/dbraw/zinc/77/48/59/451774859.db2.gz JXRYICUGSAIWHU-MRXNPFEDSA-N 2 2 347.459 1.060 20 0 EDADLP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000639162550 451781936 /nfs/dbraw/zinc/78/19/36/451781936.db2.gz BYSPBOZKBHXZIG-FBVQUNGASA-N 2 2 337.508 1.865 20 0 EDADLP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCCC1 ZINC000639162550 451781939 /nfs/dbraw/zinc/78/19/39/451781939.db2.gz BYSPBOZKBHXZIG-FBVQUNGASA-N 2 2 337.508 1.865 20 0 EDADLP CC[C@@](C)([NH3+])c1cn(C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641213683 451783212 /nfs/dbraw/zinc/78/32/12/451783212.db2.gz LYNLXKHZUDGEGC-RDTXWAMCSA-N 2 2 342.447 1.890 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CN(CC[NH+](C)C)C(=O)[C@H]3C)cc2n1C ZINC000649070330 451805219 /nfs/dbraw/zinc/80/52/19/451805219.db2.gz MRRSVNFCSHANFJ-GFCCVEGCSA-N 2 2 343.431 1.074 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000653276000 451810522 /nfs/dbraw/zinc/81/05/22/451810522.db2.gz TYXRDSYTJIMBHJ-DLBZAZTESA-N 2 2 341.496 1.091 20 0 EDADLP CC[NH+](CC)[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)c1ccco1 ZINC000641301124 451825349 /nfs/dbraw/zinc/82/53/49/451825349.db2.gz DAGWUZJEQOSWKM-CQSZACIVSA-N 2 2 340.449 1.479 20 0 EDADLP CCOCc1ccc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000644519695 451838545 /nfs/dbraw/zinc/83/85/45/451838545.db2.gz JSKHANRKUICKOM-FCEWJHQRSA-N 2 2 336.476 1.783 20 0 EDADLP CCOCc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000644519695 451838554 /nfs/dbraw/zinc/83/85/54/451838554.db2.gz JSKHANRKUICKOM-FCEWJHQRSA-N 2 2 336.476 1.783 20 0 EDADLP C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000641325820 451849806 /nfs/dbraw/zinc/84/98/06/451849806.db2.gz IMWDHYKXAMCLAW-HNNXBMFYSA-N 2 2 336.461 1.323 20 0 EDADLP C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000641325820 451849811 /nfs/dbraw/zinc/84/98/11/451849811.db2.gz IMWDHYKXAMCLAW-HNNXBMFYSA-N 2 2 336.461 1.323 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000637444517 451860428 /nfs/dbraw/zinc/86/04/28/451860428.db2.gz ALPASDCQESEGRZ-DLBZAZTESA-N 2 2 332.448 1.015 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000637444517 451860433 /nfs/dbraw/zinc/86/04/33/451860433.db2.gz ALPASDCQESEGRZ-DLBZAZTESA-N 2 2 332.448 1.015 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)[C@@H](c2ccccc2)C1 ZINC000637444517 451860436 /nfs/dbraw/zinc/86/04/36/451860436.db2.gz ALPASDCQESEGRZ-DLBZAZTESA-N 2 2 332.448 1.015 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)[C@@H](c2ccccc2)C1 ZINC000637444517 451860438 /nfs/dbraw/zinc/86/04/38/451860438.db2.gz ALPASDCQESEGRZ-DLBZAZTESA-N 2 2 332.448 1.015 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000644598401 451886565 /nfs/dbraw/zinc/88/65/65/451886565.db2.gz VEOOYKDTXYRJFN-GOSISDBHSA-N 2 2 332.419 1.901 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000644598401 451886569 /nfs/dbraw/zinc/88/65/69/451886569.db2.gz VEOOYKDTXYRJFN-GOSISDBHSA-N 2 2 332.419 1.901 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641410116 451948669 /nfs/dbraw/zinc/94/86/69/451948669.db2.gz RBZLQKCFHACINJ-ZIAGYGMSSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641410116 451948670 /nfs/dbraw/zinc/94/86/70/451948670.db2.gz RBZLQKCFHACINJ-ZIAGYGMSSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641410116 451948671 /nfs/dbraw/zinc/94/86/71/451948671.db2.gz RBZLQKCFHACINJ-ZIAGYGMSSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641410116 451948672 /nfs/dbraw/zinc/94/86/72/451948672.db2.gz RBZLQKCFHACINJ-ZIAGYGMSSA-N 2 2 337.489 1.388 20 0 EDADLP Cc1cc(C)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)n1 ZINC000639518635 451919305 /nfs/dbraw/zinc/91/93/05/451919305.db2.gz LKGCFENUISUKDZ-GOSISDBHSA-N 2 2 330.476 1.745 20 0 EDADLP Cc1cc(C)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)n1 ZINC000639518635 451919309 /nfs/dbraw/zinc/91/93/09/451919309.db2.gz LKGCFENUISUKDZ-GOSISDBHSA-N 2 2 330.476 1.745 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641387592 451923024 /nfs/dbraw/zinc/92/30/24/451923024.db2.gz FZBUQHHBIIGQAF-HNNXBMFYSA-N 2 2 328.482 1.171 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641387592 451923028 /nfs/dbraw/zinc/92/30/28/451923028.db2.gz FZBUQHHBIIGQAF-HNNXBMFYSA-N 2 2 328.482 1.171 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000651568935 451923560 /nfs/dbraw/zinc/92/35/60/451923560.db2.gz CIFUAPPBWDSIGT-CQSZACIVSA-N 2 2 325.416 1.552 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000639546686 451939073 /nfs/dbraw/zinc/93/90/73/451939073.db2.gz QAFOPZOSQGPWBH-JKSUJKDBSA-N 2 2 345.443 1.241 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000639546686 451939078 /nfs/dbraw/zinc/93/90/78/451939078.db2.gz QAFOPZOSQGPWBH-JKSUJKDBSA-N 2 2 345.443 1.241 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)COC1(C)C[NH2+]C1)c1ccc(F)cc1 ZINC000649282300 451953889 /nfs/dbraw/zinc/95/38/89/451953889.db2.gz RQDGFBITRVHJKU-HNNXBMFYSA-N 2 2 332.379 1.143 20 0 EDADLP C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000641417530 451956484 /nfs/dbraw/zinc/95/64/84/451956484.db2.gz UTHARGRHCGYTPK-CABCVRRESA-N 2 2 340.493 1.456 20 0 EDADLP C[C@@H](NS(=O)(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000641417530 451956491 /nfs/dbraw/zinc/95/64/91/451956491.db2.gz UTHARGRHCGYTPK-CABCVRRESA-N 2 2 340.493 1.456 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000649285757 451959483 /nfs/dbraw/zinc/95/94/83/451959483.db2.gz RXLWCCQNCZYNIZ-AWEZNQCLSA-N 2 2 330.432 1.012 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2([NH3+])CCN(C)C2)C1 ZINC000649288428 451963382 /nfs/dbraw/zinc/96/33/82/451963382.db2.gz PIBCTQPRNNTBTK-OXQOHEQNSA-N 2 2 344.503 1.568 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2([NH3+])CCN(C)C2)C1 ZINC000649288428 451963386 /nfs/dbraw/zinc/96/33/86/451963386.db2.gz PIBCTQPRNNTBTK-OXQOHEQNSA-N 2 2 344.503 1.568 20 0 EDADLP CCCN1CCC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC000639607320 451971631 /nfs/dbraw/zinc/97/16/31/451971631.db2.gz UNNPVMYGIATBJR-FQEVSTJZSA-N 2 2 345.487 1.568 20 0 EDADLP CCCN1CCC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC000639607320 451971639 /nfs/dbraw/zinc/97/16/39/451971639.db2.gz UNNPVMYGIATBJR-FQEVSTJZSA-N 2 2 345.487 1.568 20 0 EDADLP CCCN1CCC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000639607320 451971645 /nfs/dbraw/zinc/97/16/45/451971645.db2.gz UNNPVMYGIATBJR-FQEVSTJZSA-N 2 2 345.487 1.568 20 0 EDADLP CCCN1CCC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000639607320 451971651 /nfs/dbraw/zinc/97/16/51/451971651.db2.gz UNNPVMYGIATBJR-FQEVSTJZSA-N 2 2 345.487 1.568 20 0 EDADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000649306822 451983635 /nfs/dbraw/zinc/98/36/35/451983635.db2.gz RCGZQNMBSAGXPT-QGZVFWFLSA-N 2 2 326.444 1.963 20 0 EDADLP CC1(C)C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](CO)O1 ZINC000639675716 452014836 /nfs/dbraw/zinc/01/48/36/452014836.db2.gz XJIKVHJJULTTIC-IEBWSBKVSA-N 2 2 334.460 1.095 20 0 EDADLP CC1(C)C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[C@H](CO)O1 ZINC000639675716 452014841 /nfs/dbraw/zinc/01/48/41/452014841.db2.gz XJIKVHJJULTTIC-IEBWSBKVSA-N 2 2 334.460 1.095 20 0 EDADLP CC1(C)C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](CO)O1 ZINC000639675716 452014845 /nfs/dbraw/zinc/01/48/45/452014845.db2.gz XJIKVHJJULTTIC-IEBWSBKVSA-N 2 2 334.460 1.095 20 0 EDADLP CC1(C)C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](CO)O1 ZINC000639675716 452014847 /nfs/dbraw/zinc/01/48/47/452014847.db2.gz XJIKVHJJULTTIC-IEBWSBKVSA-N 2 2 334.460 1.095 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)ccc21 ZINC000653618142 452042751 /nfs/dbraw/zinc/04/27/51/452042751.db2.gz NRJNOIHERLBNDJ-RDJZCZTQSA-N 2 2 332.448 1.688 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)ccc21 ZINC000653618142 452042760 /nfs/dbraw/zinc/04/27/60/452042760.db2.gz NRJNOIHERLBNDJ-RDJZCZTQSA-N 2 2 332.448 1.688 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C(F)(F)F ZINC000649366320 452045010 /nfs/dbraw/zinc/04/50/10/452045010.db2.gz WKGUBACVFAIEKY-QWHCGFSZSA-N 2 2 330.354 1.442 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C(F)(F)F ZINC000649366320 452045014 /nfs/dbraw/zinc/04/50/14/452045014.db2.gz WKGUBACVFAIEKY-QWHCGFSZSA-N 2 2 330.354 1.442 20 0 EDADLP O=C(NCCC[C@H]1CCC[NH2+]1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000647077463 452046148 /nfs/dbraw/zinc/04/61/48/452046148.db2.gz FCVUKMQWGDSAKW-GOSISDBHSA-N 2 2 331.460 1.781 20 0 EDADLP CCC[C@H](C)S(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000651752996 452055234 /nfs/dbraw/zinc/05/52/34/452055234.db2.gz ACKQZGDUUFQIQK-INIZCTEOSA-N 2 2 345.553 1.997 20 0 EDADLP CCC[C@H](C)S(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000651752996 452055238 /nfs/dbraw/zinc/05/52/38/452055238.db2.gz ACKQZGDUUFQIQK-INIZCTEOSA-N 2 2 345.553 1.997 20 0 EDADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C[C@H]4CC[NH2+]C4)C3)CC2)nc1 ZINC000649414723 452076828 /nfs/dbraw/zinc/07/68/28/452076828.db2.gz SRBXOTFMHOFVFR-OALUTQOASA-N 3 2 343.519 1.525 20 0 EDADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C[C@H]4CC[NH2+]C4)C3)CC2)nc1 ZINC000649414723 452076834 /nfs/dbraw/zinc/07/68/34/452076834.db2.gz SRBXOTFMHOFVFR-OALUTQOASA-N 3 2 343.519 1.525 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCN2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000649416757 452077559 /nfs/dbraw/zinc/07/75/59/452077559.db2.gz KTSJDIXWFXNUOL-RDJZCZTQSA-N 2 2 330.476 1.225 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCN2CCc3ccccc32)CC[C@@H]1[NH3+] ZINC000649416757 452077563 /nfs/dbraw/zinc/07/75/63/452077563.db2.gz KTSJDIXWFXNUOL-RDJZCZTQSA-N 2 2 330.476 1.225 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NCCCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000649416450 452077800 /nfs/dbraw/zinc/07/78/00/452077800.db2.gz AMDTVSLLIVSJDL-WMZOPIPTSA-N 2 2 332.492 1.688 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NCCCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000649416450 452077805 /nfs/dbraw/zinc/07/78/05/452077805.db2.gz AMDTVSLLIVSJDL-WMZOPIPTSA-N 2 2 332.492 1.688 20 0 EDADLP Cc1csc(=O)n1CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653687574 452078467 /nfs/dbraw/zinc/07/84/67/452078467.db2.gz FQFWAKITOMREKA-CYBMUJFWSA-N 2 2 325.478 1.403 20 0 EDADLP Cc1csc(=O)n1CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653687574 452078472 /nfs/dbraw/zinc/07/84/72/452078472.db2.gz FQFWAKITOMREKA-CYBMUJFWSA-N 2 2 325.478 1.403 20 0 EDADLP Cc1[nH+]c2c(c(=O)[nH]n2C)c(C)c1CCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000647151936 452091237 /nfs/dbraw/zinc/09/12/37/452091237.db2.gz RZNKGVQDDLBXKU-GFCCVEGCSA-N 2 2 342.403 1.883 20 0 EDADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCS[C@@H](c3ccccc3)C2)C1=O ZINC000649483744 452104877 /nfs/dbraw/zinc/10/48/77/452104877.db2.gz WHQAQEBQIOETME-HZPDHXFCSA-N 2 2 347.484 1.466 20 0 EDADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCS[C@@H](c3ccccc3)C2)C1=O ZINC000649483744 452104882 /nfs/dbraw/zinc/10/48/82/452104882.db2.gz WHQAQEBQIOETME-HZPDHXFCSA-N 2 2 347.484 1.466 20 0 EDADLP Cc1c(Cl)c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000643293550 452120656 /nfs/dbraw/zinc/12/06/56/452120656.db2.gz SLEPAUAZCOBMPX-HNNXBMFYSA-N 2 2 339.915 1.982 20 0 EDADLP Cc1c(Cl)c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1C ZINC000643293550 452120659 /nfs/dbraw/zinc/12/06/59/452120659.db2.gz SLEPAUAZCOBMPX-HNNXBMFYSA-N 2 2 339.915 1.982 20 0 EDADLP CCOC[C@@H](O)C[NH+]1CCN(Cc2cc(OC(C)C)cc[nH+]2)CC1 ZINC000649517792 452121398 /nfs/dbraw/zinc/12/13/98/452121398.db2.gz IBDUKDHRTANXIY-KRWDZBQOSA-N 2 2 337.464 1.384 20 0 EDADLP Cc1ccnc(Nc2cccc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2)n1 ZINC000637864575 452121348 /nfs/dbraw/zinc/12/13/48/452121348.db2.gz UPUPGYDNBJTWKV-MRXNPFEDSA-N 2 2 340.431 1.244 20 0 EDADLP Cc1ccnc(Nc2cccc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2)n1 ZINC000637864575 452121355 /nfs/dbraw/zinc/12/13/55/452121355.db2.gz UPUPGYDNBJTWKV-MRXNPFEDSA-N 2 2 340.431 1.244 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)n1C[C@@H]1CCCOC1 ZINC000637864534 452121518 /nfs/dbraw/zinc/12/15/18/452121518.db2.gz SZDUQMCYHHAYSE-DLBZAZTESA-N 2 2 348.491 1.246 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)n1C[C@@H]1CCCOC1 ZINC000637864534 452121526 /nfs/dbraw/zinc/12/15/26/452121526.db2.gz SZDUQMCYHHAYSE-DLBZAZTESA-N 2 2 348.491 1.246 20 0 EDADLP COc1ncncc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000647211750 452127293 /nfs/dbraw/zinc/12/72/93/452127293.db2.gz VZMKUJICECKKHY-UHFFFAOYSA-N 2 2 331.420 1.501 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000641620202 452140680 /nfs/dbraw/zinc/14/06/80/452140680.db2.gz PKVKUSLFNKRACK-MRXNPFEDSA-N 2 2 334.445 1.077 20 0 EDADLP OCC1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000637893210 452142318 /nfs/dbraw/zinc/14/23/18/452142318.db2.gz QYOULSFUFBRYLL-UHFFFAOYSA-N 2 2 334.460 1.602 20 0 EDADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000653898450 452167763 /nfs/dbraw/zinc/16/77/63/452167763.db2.gz ZRNQAJVZGVBAKQ-SJORKVTESA-N 2 2 345.487 1.737 20 0 EDADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000653898450 452167768 /nfs/dbraw/zinc/16/77/68/452167768.db2.gz ZRNQAJVZGVBAKQ-SJORKVTESA-N 2 2 345.487 1.737 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000649625030 452172871 /nfs/dbraw/zinc/17/28/71/452172871.db2.gz RLFBCDSENPENBI-UXHICEINSA-N 2 2 344.455 1.682 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000649625030 452172877 /nfs/dbraw/zinc/17/28/77/452172877.db2.gz RLFBCDSENPENBI-UXHICEINSA-N 2 2 344.455 1.682 20 0 EDADLP COc1ccc(-c2nnc(NCC[N@H+](C)CCC[NH+](C)C)o2)cc1 ZINC000641657488 452173941 /nfs/dbraw/zinc/17/39/41/452173941.db2.gz VKPUVNZEMFUKKP-UHFFFAOYSA-N 2 2 333.436 2.041 20 0 EDADLP COc1ccc(-c2nnc(NCC[N@@H+](C)CCC[NH+](C)C)o2)cc1 ZINC000641657488 452173950 /nfs/dbraw/zinc/17/39/50/452173950.db2.gz VKPUVNZEMFUKKP-UHFFFAOYSA-N 2 2 333.436 2.041 20 0 EDADLP C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000639850566 452181767 /nfs/dbraw/zinc/18/17/67/452181767.db2.gz VZHYCYVXJWYLEI-OALUTQOASA-N 2 2 333.476 1.016 20 0 EDADLP C[C@@]1(CO)C[C@H](O)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000639850566 452181771 /nfs/dbraw/zinc/18/17/71/452181771.db2.gz VZHYCYVXJWYLEI-OALUTQOASA-N 2 2 333.476 1.016 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000649731405 452216583 /nfs/dbraw/zinc/21/65/83/452216583.db2.gz HEPDIGRTNIHOOE-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC000649731405 452216586 /nfs/dbraw/zinc/21/65/86/452216586.db2.gz HEPDIGRTNIHOOE-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000645221356 452217228 /nfs/dbraw/zinc/21/72/28/452217228.db2.gz KKVSPPGOPABIBV-XLIONFOSSA-N 2 2 343.471 1.647 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056963 452225858 /nfs/dbraw/zinc/22/58/58/452225858.db2.gz AMMUPOULCUEBBQ-NXOAAHMSSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056963 452225860 /nfs/dbraw/zinc/22/58/60/452225860.db2.gz AMMUPOULCUEBBQ-NXOAAHMSSA-N 2 2 325.497 1.865 20 0 EDADLP CCCN(C(=O)NCC[NH+]1CCOC(C)(C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645241113 452230907 /nfs/dbraw/zinc/23/09/07/452230907.db2.gz WYPYOKRXGBUBFT-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000643455478 452232531 /nfs/dbraw/zinc/23/25/31/452232531.db2.gz JYGUAGDYDPFDPV-CEXWTWQISA-N 3 2 338.540 1.293 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000647519131 452253188 /nfs/dbraw/zinc/25/31/88/452253188.db2.gz JLFYUXBDYRKEDE-HOTGVXAUSA-N 2 2 329.444 1.449 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000647519131 452253203 /nfs/dbraw/zinc/25/32/03/452253203.db2.gz JLFYUXBDYRKEDE-HOTGVXAUSA-N 2 2 329.444 1.449 20 0 EDADLP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641785032 452253781 /nfs/dbraw/zinc/25/37/81/452253781.db2.gz GZTSFJISDZECCU-OTWHNJEPSA-N 2 2 339.524 1.578 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc2n(n1)CCC2 ZINC000641785746 452256367 /nfs/dbraw/zinc/25/63/67/452256367.db2.gz LEXGOCOHPHCVQN-DLBZAZTESA-N 2 2 347.507 1.277 20 0 EDADLP Cc1csc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000641786742 452259745 /nfs/dbraw/zinc/25/97/45/452259745.db2.gz RVOSTPXHYAZMCO-CVEARBPZSA-N 2 2 338.521 1.899 20 0 EDADLP CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)s1 ZINC000657465804 452266095 /nfs/dbraw/zinc/26/60/95/452266095.db2.gz ICXFIBHEVXEJSX-QWRGUYRKSA-N 2 2 348.476 1.996 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2[nH+]1 ZINC000657520669 452305032 /nfs/dbraw/zinc/30/50/32/452305032.db2.gz IKPDBTLQVLQLAC-CYBMUJFWSA-N 2 2 329.404 1.182 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657522252 452307967 /nfs/dbraw/zinc/30/79/67/452307967.db2.gz ADGLXYDYWIHALQ-HNNXBMFYSA-N 2 2 335.496 1.528 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657522252 452307978 /nfs/dbraw/zinc/30/79/78/452307978.db2.gz ADGLXYDYWIHALQ-HNNXBMFYSA-N 2 2 335.496 1.528 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000638054506 452339474 /nfs/dbraw/zinc/33/94/74/452339474.db2.gz DUHITXDLDRIBOI-CPUCHLNUSA-N 2 2 349.475 1.699 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)c1c(F)cccc1F ZINC000652152152 452345457 /nfs/dbraw/zinc/34/54/57/452345457.db2.gz FUDLVUAIONVRDF-AWEZNQCLSA-N 2 2 340.418 1.996 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665763975 452348017 /nfs/dbraw/zinc/34/80/17/452348017.db2.gz QMBNOYIMOUDROH-DLBZAZTESA-N 3 2 341.544 1.384 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665763975 452348027 /nfs/dbraw/zinc/34/80/27/452348027.db2.gz QMBNOYIMOUDROH-DLBZAZTESA-N 3 2 341.544 1.384 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCCC[C@@H]1C ZINC000663629127 452367027 /nfs/dbraw/zinc/36/70/27/452367027.db2.gz NOVBQTOPBVFRIW-DLBZAZTESA-N 3 2 341.544 1.432 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCCC[C@@H]1C ZINC000663629127 452367032 /nfs/dbraw/zinc/36/70/32/452367032.db2.gz NOVBQTOPBVFRIW-DLBZAZTESA-N 3 2 341.544 1.432 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000663629127 452367041 /nfs/dbraw/zinc/36/70/41/452367041.db2.gz NOVBQTOPBVFRIW-DLBZAZTESA-N 3 2 341.544 1.432 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000663629127 452367050 /nfs/dbraw/zinc/36/70/50/452367050.db2.gz NOVBQTOPBVFRIW-DLBZAZTESA-N 3 2 341.544 1.432 20 0 EDADLP CC[NH2+]CCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000659505924 452371607 /nfs/dbraw/zinc/37/16/07/452371607.db2.gz UMEYGSBILGNMDA-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP CC[NH2+]CCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000659505924 452371615 /nfs/dbraw/zinc/37/16/15/452371615.db2.gz UMEYGSBILGNMDA-MSOLQXFVSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663640406 452382813 /nfs/dbraw/zinc/38/28/13/452382813.db2.gz DTHFGYVDNTWWEK-MRXNPFEDSA-N 3 2 327.517 1.044 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663640406 452382820 /nfs/dbraw/zinc/38/28/20/452382820.db2.gz DTHFGYVDNTWWEK-MRXNPFEDSA-N 3 2 327.517 1.044 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2(c3ccccc3F)CCC2)[C@H](C[NH3+])C1 ZINC000652226964 452418867 /nfs/dbraw/zinc/41/88/67/452418867.db2.gz WSIJBMKAKLRXKE-CQSZACIVSA-N 2 2 334.439 1.532 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2(c3ccccc3F)CCC2)[C@H](C[NH3+])C1 ZINC000652226964 452418873 /nfs/dbraw/zinc/41/88/73/452418873.db2.gz WSIJBMKAKLRXKE-CQSZACIVSA-N 2 2 334.439 1.532 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657651404 452423483 /nfs/dbraw/zinc/42/34/83/452423483.db2.gz BWZRGFOWGYCWRB-OAHLLOKOSA-N 2 2 343.431 1.572 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657651404 452423489 /nfs/dbraw/zinc/42/34/89/452423489.db2.gz BWZRGFOWGYCWRB-OAHLLOKOSA-N 2 2 343.431 1.572 20 0 EDADLP C[C@H]1C[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)C1O ZINC000661624443 452444175 /nfs/dbraw/zinc/44/41/75/452444175.db2.gz QFSHKYDFUIRPRE-IRXDYDNUSA-N 2 2 345.487 1.280 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663726906 452461773 /nfs/dbraw/zinc/46/17/73/452461773.db2.gz BKBSQCYXCJOGNM-JKSUJKDBSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000663726906 452461781 /nfs/dbraw/zinc/46/17/81/452461781.db2.gz BKBSQCYXCJOGNM-JKSUJKDBSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663726906 452461793 /nfs/dbraw/zinc/46/17/93/452461793.db2.gz BKBSQCYXCJOGNM-JKSUJKDBSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000663726906 452461800 /nfs/dbraw/zinc/46/18/00/452461800.db2.gz BKBSQCYXCJOGNM-JKSUJKDBSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cc(F)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000659627130 452484362 /nfs/dbraw/zinc/48/43/62/452484362.db2.gz WIUZFUKZQFCSLB-GFCCVEGCSA-N 2 2 346.353 1.211 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc(F)ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000659627130 452484365 /nfs/dbraw/zinc/48/43/65/452484365.db2.gz WIUZFUKZQFCSLB-GFCCVEGCSA-N 2 2 346.353 1.211 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000659638638 452501631 /nfs/dbraw/zinc/50/16/31/452501631.db2.gz LAZHCTXBGDBRRM-CYBMUJFWSA-N 2 2 338.427 1.269 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@@H+]4CCOC[C@H]4C3)c2cc1OC ZINC000663797208 452526092 /nfs/dbraw/zinc/52/60/92/452526092.db2.gz MTCKAQCEIOWQCW-CQSZACIVSA-N 2 2 329.400 1.773 20 0 EDADLP COc1cc2cc[nH+]c(N3CC[N@H+]4CCOC[C@H]4C3)c2cc1OC ZINC000663797208 452526097 /nfs/dbraw/zinc/52/60/97/452526097.db2.gz MTCKAQCEIOWQCW-CQSZACIVSA-N 2 2 329.400 1.773 20 0 EDADLP O=C(C1CCCC1)N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655722657 452537521 /nfs/dbraw/zinc/53/75/21/452537521.db2.gz BISUDAGWKDPINK-QZTJIDSGSA-N 2 2 335.492 1.620 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652357343 452538068 /nfs/dbraw/zinc/53/80/68/452538068.db2.gz KSIXULPSSHRCJS-HDWXEKECSA-N 2 2 337.508 1.852 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652357343 452538077 /nfs/dbraw/zinc/53/80/77/452538077.db2.gz KSIXULPSSHRCJS-HDWXEKECSA-N 2 2 337.508 1.852 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657844567 452562671 /nfs/dbraw/zinc/56/26/71/452562671.db2.gz IABCXWQEIFVLOG-AWEZNQCLSA-N 2 2 343.431 1.572 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2[nH+]1 ZINC000657856690 452572464 /nfs/dbraw/zinc/57/24/64/452572464.db2.gz PIMUPQSWANJCHO-UKRRQHHQSA-N 2 2 343.431 1.522 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000647847180 452580892 /nfs/dbraw/zinc/58/08/92/452580892.db2.gz FPBDHNCFLUYHOM-AWEZNQCLSA-N 2 2 334.464 1.315 20 0 EDADLP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000647847180 452580898 /nfs/dbraw/zinc/58/08/98/452580898.db2.gz FPBDHNCFLUYHOM-AWEZNQCLSA-N 2 2 334.464 1.315 20 0 EDADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000647863717 452601382 /nfs/dbraw/zinc/60/13/82/452601382.db2.gz IVUIOFQZDUEUMM-DOTOQJQBSA-N 2 2 344.463 1.558 20 0 EDADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CCO1 ZINC000647863717 452601393 /nfs/dbraw/zinc/60/13/93/452601393.db2.gz IVUIOFQZDUEUMM-DOTOQJQBSA-N 2 2 344.463 1.558 20 0 EDADLP OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647883293 452620303 /nfs/dbraw/zinc/62/03/03/452620303.db2.gz BLXVQQYQGHOJRJ-LLVKDONJSA-N 2 2 331.229 1.992 20 0 EDADLP OCC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CC[NH2+]C1 ZINC000647883293 452620312 /nfs/dbraw/zinc/62/03/12/452620312.db2.gz BLXVQQYQGHOJRJ-LLVKDONJSA-N 2 2 331.229 1.992 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCOC(C)(C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663899774 452628123 /nfs/dbraw/zinc/62/81/23/452628123.db2.gz ONLOQNARAJBMIU-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[NH+]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663899774 452628134 /nfs/dbraw/zinc/62/81/34/452628134.db2.gz ONLOQNARAJBMIU-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H]1CC[NH+](CC)C1 ZINC000663899774 452628145 /nfs/dbraw/zinc/62/81/45/452628145.db2.gz ONLOQNARAJBMIU-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H]1CC[NH+](CC)C1 ZINC000663899774 452628156 /nfs/dbraw/zinc/62/81/56/452628156.db2.gz ONLOQNARAJBMIU-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2[nH+]1 ZINC000657965618 452644884 /nfs/dbraw/zinc/64/48/84/452644884.db2.gz FZGNSQZZCOYFJQ-GOSISDBHSA-N 2 2 341.415 1.135 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)cc2[nH+]1 ZINC000657965618 452644894 /nfs/dbraw/zinc/64/48/94/452644894.db2.gz FZGNSQZZCOYFJQ-GOSISDBHSA-N 2 2 341.415 1.135 20 0 EDADLP COc1ccc(CNC(=O)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000647909763 452649217 /nfs/dbraw/zinc/64/92/17/452649217.db2.gz JOZXABJMCVJIQU-UHFFFAOYSA-N 2 2 349.475 1.136 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657972242 452650787 /nfs/dbraw/zinc/65/07/87/452650787.db2.gz BEMKBNQIONOAEK-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000657972242 452650789 /nfs/dbraw/zinc/65/07/89/452650789.db2.gz BEMKBNQIONOAEK-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000647925381 452663137 /nfs/dbraw/zinc/66/31/37/452663137.db2.gz GWXDUDNJNJWTCH-KBPBESRZSA-N 2 2 347.459 1.837 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000655913489 452672291 /nfs/dbraw/zinc/67/22/91/452672291.db2.gz UXBTXUNMCKRXTK-LLVKDONJSA-N 2 2 336.383 1.465 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC[C@H]1[NH3+] ZINC000647938206 452678033 /nfs/dbraw/zinc/67/80/33/452678033.db2.gz IANPOGMQAFIFPD-XJKCOSOUSA-N 2 2 332.448 1.432 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC[C@H]1[NH3+] ZINC000647938206 452678039 /nfs/dbraw/zinc/67/80/39/452678039.db2.gz IANPOGMQAFIFPD-XJKCOSOUSA-N 2 2 332.448 1.432 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC[C@@H]1[NH3+] ZINC000647938641 452680095 /nfs/dbraw/zinc/68/00/95/452680095.db2.gz RBACFYRRHWXRDQ-KFWWJZLASA-N 2 2 333.432 1.002 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC[C@@H]1[NH3+] ZINC000647938641 452680102 /nfs/dbraw/zinc/68/01/02/452680102.db2.gz RBACFYRRHWXRDQ-KFWWJZLASA-N 2 2 333.432 1.002 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@@H]1[NH3+] ZINC000647939053 452681717 /nfs/dbraw/zinc/68/17/17/452681717.db2.gz ZQNOLTUCNIKIME-YOEHRIQHSA-N 2 2 344.459 1.811 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC[C@@H]1[NH3+] ZINC000647939053 452681728 /nfs/dbraw/zinc/68/17/28/452681728.db2.gz ZQNOLTUCNIKIME-YOEHRIQHSA-N 2 2 344.459 1.811 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[nH+]c12 ZINC000655919187 452681956 /nfs/dbraw/zinc/68/19/56/452681956.db2.gz GLIVXXSOFJGQTH-NSHDSACASA-N 2 2 329.326 1.374 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2[nH+]1 ZINC000658022145 452692436 /nfs/dbraw/zinc/69/24/36/452692436.db2.gz TYPRJWZDCZAYCR-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@H+]3C)cc2[nH+]1 ZINC000658022145 452692441 /nfs/dbraw/zinc/69/24/41/452692441.db2.gz TYPRJWZDCZAYCR-CQSZACIVSA-N 2 2 329.404 1.134 20 0 EDADLP c1nc(N2CCC([N@@H+]3CCCOCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000664009149 452710080 /nfs/dbraw/zinc/71/00/80/452710080.db2.gz BXEYKZQENFENIT-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP c1nc(N2CCC([N@H+]3CCCOCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000664009149 452710087 /nfs/dbraw/zinc/71/00/87/452710087.db2.gz BXEYKZQENFENIT-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC([N@@H+]3CCCOCC3)CC2)[nH+]1 ZINC000664009149 452710092 /nfs/dbraw/zinc/71/00/92/452710092.db2.gz BXEYKZQENFENIT-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC([N@H+]3CCCOCC3)CC2)[nH+]1 ZINC000664009149 452710095 /nfs/dbraw/zinc/71/00/95/452710095.db2.gz BXEYKZQENFENIT-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649524 452743342 /nfs/dbraw/zinc/74/33/42/452743342.db2.gz HELMHCSIEVCVJP-JONQDZQNSA-N 2 2 349.479 1.796 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649524 452743346 /nfs/dbraw/zinc/74/33/46/452743346.db2.gz HELMHCSIEVCVJP-JONQDZQNSA-N 2 2 349.479 1.796 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3COC(C)(C)C3)CC2)C1 ZINC000659887133 452765684 /nfs/dbraw/zinc/76/56/84/452765684.db2.gz IFZMXJUMNVYORS-SJORKVTESA-N 2 2 325.497 1.281 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3COC(C)(C)C3)CC2)C1 ZINC000659887133 452765707 /nfs/dbraw/zinc/76/57/07/452765707.db2.gz IFZMXJUMNVYORS-SJORKVTESA-N 2 2 325.497 1.281 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030457 452783278 /nfs/dbraw/zinc/78/32/78/452783278.db2.gz FMCKXLZCCOHUPW-IKGGRYGDSA-N 2 2 344.459 1.087 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030457 452783283 /nfs/dbraw/zinc/78/32/83/452783283.db2.gz FMCKXLZCCOHUPW-IKGGRYGDSA-N 2 2 344.459 1.087 20 0 EDADLP CCN1CC[C@@H]([NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000659910994 452800968 /nfs/dbraw/zinc/80/09/68/452800968.db2.gz AVZXYWDXGULXNT-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CCN1CC[C@@H]([NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000659910994 452800974 /nfs/dbraw/zinc/80/09/74/452800974.db2.gz AVZXYWDXGULXNT-LJQANCHMSA-N 2 2 344.503 1.357 20 0 EDADLP CC(C)[C@H]([NH3+])CC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118586 452835498 /nfs/dbraw/zinc/83/54/98/452835498.db2.gz SPQNOQNVXRPTEL-HUUCEWRRSA-N 3 2 333.480 1.264 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000666394676 452839967 /nfs/dbraw/zinc/83/99/67/452839967.db2.gz YENDKSWJFZXHGD-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000666394676 452839975 /nfs/dbraw/zinc/83/99/75/452839975.db2.gz YENDKSWJFZXHGD-UHFFFAOYSA-N 2 2 345.451 1.272 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658342509 452854531 /nfs/dbraw/zinc/85/45/31/452854531.db2.gz NUHYOLQFCKBJJG-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658342509 452854544 /nfs/dbraw/zinc/85/45/44/452854544.db2.gz NUHYOLQFCKBJJG-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658342509 452854554 /nfs/dbraw/zinc/85/45/54/452854554.db2.gz NUHYOLQFCKBJJG-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658342509 452854562 /nfs/dbraw/zinc/85/45/62/452854562.db2.gz NUHYOLQFCKBJJG-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC[NH+]1C ZINC000658342509 452854574 /nfs/dbraw/zinc/85/45/74/452854574.db2.gz NUHYOLQFCKBJJG-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP C[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC[NH+]1C ZINC000658342509 452854584 /nfs/dbraw/zinc/85/45/84/452854584.db2.gz NUHYOLQFCKBJJG-YZGWKJHDSA-N 2 2 330.520 1.875 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000648149998 452861803 /nfs/dbraw/zinc/86/18/03/452861803.db2.gz DEDMWQWCYVTBTB-OAHLLOKOSA-N 2 2 325.840 1.521 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000648149998 452861813 /nfs/dbraw/zinc/86/18/13/452861813.db2.gz DEDMWQWCYVTBTB-OAHLLOKOSA-N 2 2 325.840 1.521 20 0 EDADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000648169432 452880468 /nfs/dbraw/zinc/88/04/68/452880468.db2.gz FEMFRLXKIZIFHC-MNZLEMJZSA-N 2 2 336.439 1.476 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659977404 452884244 /nfs/dbraw/zinc/88/42/44/452884244.db2.gz XVHUULTXQZGHMA-MRXNPFEDSA-N 2 2 339.505 1.758 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659977404 452884251 /nfs/dbraw/zinc/88/42/51/452884251.db2.gz XVHUULTXQZGHMA-MRXNPFEDSA-N 2 2 339.505 1.758 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154311 452891826 /nfs/dbraw/zinc/89/18/26/452891826.db2.gz ANUQPRVBRAQGMD-MAUKXSAKSA-N 2 2 337.508 1.697 20 0 EDADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154311 452891841 /nfs/dbraw/zinc/89/18/41/452891841.db2.gz ANUQPRVBRAQGMD-MAUKXSAKSA-N 2 2 337.508 1.697 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCCCC(=O)C3)C2)CC1 ZINC000643983452 452895601 /nfs/dbraw/zinc/89/56/01/452895601.db2.gz OLMMGKCLYNEWOG-JKSUJKDBSA-N 2 2 335.492 1.811 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCCCC(=O)C3)C2)CC1 ZINC000643983452 452895609 /nfs/dbraw/zinc/89/56/09/452895609.db2.gz OLMMGKCLYNEWOG-JKSUJKDBSA-N 2 2 335.492 1.811 20 0 EDADLP O=C1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1cccc(Cl)c1 ZINC000662258182 452987446 /nfs/dbraw/zinc/98/74/46/452987446.db2.gz IWEHZEHWUNIMPT-MRXNPFEDSA-N 2 2 349.862 1.505 20 0 EDADLP O=C1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1cccc(Cl)c1 ZINC000662258182 452987452 /nfs/dbraw/zinc/98/74/52/452987452.db2.gz IWEHZEHWUNIMPT-MRXNPFEDSA-N 2 2 349.862 1.505 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3coc4c3C(=O)CCC4)C2)CC1 ZINC000648316109 452998470 /nfs/dbraw/zinc/99/84/70/452998470.db2.gz CZJVSBDZRMHLQK-ZDUSSCGKSA-N 2 2 345.443 1.697 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3coc4c3C(=O)CCC4)C2)CC1 ZINC000648316109 452998478 /nfs/dbraw/zinc/99/84/78/452998478.db2.gz CZJVSBDZRMHLQK-ZDUSSCGKSA-N 2 2 345.443 1.697 20 0 EDADLP OCC1([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH2+]CC1 ZINC000662285402 453010357 /nfs/dbraw/zinc/01/03/57/453010357.db2.gz GQMYQWGILNKWNO-UHFFFAOYSA-N 2 2 326.824 1.705 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000650850107 453052732 /nfs/dbraw/zinc/05/27/32/453052732.db2.gz HPXFHQDDTMQTLN-HZPDHXFCSA-N 2 2 328.501 1.373 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000650850107 453052736 /nfs/dbraw/zinc/05/27/36/453052736.db2.gz HPXFHQDDTMQTLN-HZPDHXFCSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1[nH]cc[nH+]1 ZINC000660143033 453073587 /nfs/dbraw/zinc/07/35/87/453073587.db2.gz PXBDBJRASQTSDM-RDJZCZTQSA-N 2 2 341.459 1.621 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1[nH]cc[nH+]1 ZINC000660143033 453073594 /nfs/dbraw/zinc/07/35/94/453073594.db2.gz PXBDBJRASQTSDM-RDJZCZTQSA-N 2 2 341.459 1.621 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3CC(F)(F)C3)C2)CC1 ZINC000644161449 453092160 /nfs/dbraw/zinc/09/21/60/453092160.db2.gz YVUHOVRSYQYIQZ-ZDUSSCGKSA-N 2 2 330.423 1.499 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3CC(F)(F)C3)C2)CC1 ZINC000644161449 453092170 /nfs/dbraw/zinc/09/21/70/453092170.db2.gz YVUHOVRSYQYIQZ-ZDUSSCGKSA-N 2 2 330.423 1.499 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1OC ZINC000666770304 453133996 /nfs/dbraw/zinc/13/39/96/453133996.db2.gz SFWOFDDPTDPOMN-OAHLLOKOSA-N 2 2 335.448 1.442 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662449677 453157057 /nfs/dbraw/zinc/15/70/57/453157057.db2.gz PPAQWIHLNVYRSH-MAUKXSAKSA-N 2 2 344.503 1.431 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2C(C)(C)C2(F)F)CC1 ZINC000664538825 453178127 /nfs/dbraw/zinc/17/81/27/453178127.db2.gz HRRJZMREKMBAIE-ZDUSSCGKSA-N 2 2 332.439 1.603 20 0 EDADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCc1c[nH+]cn1C ZINC000656440573 453181521 /nfs/dbraw/zinc/18/15/21/453181521.db2.gz ZDGAJXRTPDPOSO-KRWDZBQOSA-N 2 2 338.415 1.092 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000646190718 453202109 /nfs/dbraw/zinc/20/21/09/453202109.db2.gz UBNGLGMOHGBWCR-MRXNPFEDSA-N 2 2 325.416 1.618 20 0 EDADLP O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000666892902 453220106 /nfs/dbraw/zinc/22/01/06/453220106.db2.gz ADMMQSPWNNRCFL-MRXNPFEDSA-N 2 2 332.448 1.782 20 0 EDADLP COc1cc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1OC(F)F ZINC000653059044 453235434 /nfs/dbraw/zinc/23/54/34/453235434.db2.gz RLRHBWZDUKJFKE-LBPRGKRZSA-N 2 2 345.390 1.534 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000651062377 453235827 /nfs/dbraw/zinc/23/58/27/453235827.db2.gz VMYZMZRLPOKAHS-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000651062377 453235832 /nfs/dbraw/zinc/23/58/32/453235832.db2.gz VMYZMZRLPOKAHS-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP CCOc1cc2c(cc1OCC)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2 ZINC000653061270 453236731 /nfs/dbraw/zinc/23/67/31/453236731.db2.gz INPQSWCULXWTAW-INIZCTEOSA-N 2 2 349.475 1.648 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC[C@@H](CC[NH3+])C3)cn21 ZINC000646234995 453247624 /nfs/dbraw/zinc/24/76/24/453247624.db2.gz YBAJPDRQAJIVCE-HNNXBMFYSA-N 2 2 329.448 1.956 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000648773866 453252176 /nfs/dbraw/zinc/25/21/76/453252176.db2.gz BOOLNKRPZKHJSA-OAGGEKHMSA-N 2 2 334.464 1.454 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000666926340 453253706 /nfs/dbraw/zinc/25/37/06/453253706.db2.gz NULCFBQXJWMANR-MRXNPFEDSA-N 3 2 339.528 1.138 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000666926340 453253711 /nfs/dbraw/zinc/25/37/11/453253711.db2.gz NULCFBQXJWMANR-MRXNPFEDSA-N 3 2 339.528 1.138 20 0 EDADLP CCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000666926340 453253715 /nfs/dbraw/zinc/25/37/15/453253715.db2.gz NULCFBQXJWMANR-MRXNPFEDSA-N 3 2 339.528 1.138 20 0 EDADLP CCC[NH+]1CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000666926340 453253719 /nfs/dbraw/zinc/25/37/19/453253719.db2.gz NULCFBQXJWMANR-MRXNPFEDSA-N 3 2 339.528 1.138 20 0 EDADLP COc1ccccc1C1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000653077174 453256855 /nfs/dbraw/zinc/25/68/55/453256855.db2.gz RMDJBULZYBTNMK-MRXNPFEDSA-N 2 2 333.476 1.902 20 0 EDADLP CC(C)Cn1nccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780251 453261071 /nfs/dbraw/zinc/26/10/71/453261071.db2.gz ZADIWGDQLJKUKZ-QGZVFWFLSA-N 2 2 347.507 1.780 20 0 EDADLP CC(C)Cn1nccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780251 453261077 /nfs/dbraw/zinc/26/10/77/453261077.db2.gz ZADIWGDQLJKUKZ-QGZVFWFLSA-N 2 2 347.507 1.780 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000660386500 453262461 /nfs/dbraw/zinc/26/24/61/453262461.db2.gz KSSUDQJYDOABFG-UHFFFAOYSA-N 2 2 331.420 1.692 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000660386500 453262466 /nfs/dbraw/zinc/26/24/66/453262466.db2.gz KSSUDQJYDOABFG-UHFFFAOYSA-N 2 2 331.420 1.692 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000653081737 453262725 /nfs/dbraw/zinc/26/27/25/453262725.db2.gz YZVPIAIMLDCTBD-LBPRGKRZSA-N 2 2 337.474 1.907 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662539353 453263993 /nfs/dbraw/zinc/26/39/93/453263993.db2.gz ASXAPABPBXOWTA-CQSZACIVSA-N 2 2 344.463 1.798 20 0 EDADLP COc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(Br)c1 ZINC000653084652 453266465 /nfs/dbraw/zinc/26/64/65/453266465.db2.gz NJEVOAJBFZJUEJ-LLVKDONJSA-N 2 2 330.226 1.675 20 0 EDADLP Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653093857 453276397 /nfs/dbraw/zinc/27/63/97/453276397.db2.gz OPTAOZKTQHHCMP-KSZLIROESA-N 2 2 333.476 1.858 20 0 EDADLP COc1ccc(Cn2nccc2NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653104644 453285509 /nfs/dbraw/zinc/28/55/09/453285509.db2.gz OETGUHATKCEUEW-OAHLLOKOSA-N 2 2 331.420 1.158 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000666971746 453288719 /nfs/dbraw/zinc/28/87/19/453288719.db2.gz FUGFYHUELXOBDX-HOCLYGCPSA-N 2 2 347.463 1.552 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000653109165 453294464 /nfs/dbraw/zinc/29/44/64/453294464.db2.gz WLFWYVGWMXAXIF-INIZCTEOSA-N 2 2 328.416 1.769 20 0 EDADLP CC[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000653110069 453294852 /nfs/dbraw/zinc/29/48/52/453294852.db2.gz WUHRXTWPULNCGO-ZWKOTPCHSA-N 3 2 332.492 1.219 20 0 EDADLP CC[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000653110069 453294862 /nfs/dbraw/zinc/29/48/62/453294862.db2.gz WUHRXTWPULNCGO-ZWKOTPCHSA-N 3 2 332.492 1.219 20 0 EDADLP Cn1ccnc1COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653111948 453297435 /nfs/dbraw/zinc/29/74/35/453297435.db2.gz HFLONNQTXVLSQY-HNNXBMFYSA-N 2 2 331.420 1.217 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000653114520 453300557 /nfs/dbraw/zinc/30/05/57/453300557.db2.gz LLNABGIIUSACAC-HNNXBMFYSA-N 3 2 333.480 1.410 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000653123406 453314729 /nfs/dbraw/zinc/31/47/29/453314729.db2.gz XMUAMXVUGYREFS-GJZGRUSLSA-N 3 2 326.872 1.338 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NC(C1CC1)C1CC1 ZINC000660473032 453330923 /nfs/dbraw/zinc/33/09/23/453330923.db2.gz FBXHVHYSYCFGMS-KRWDZBQOSA-N 2 2 335.492 1.478 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NC(C1CC1)C1CC1 ZINC000660473032 453330928 /nfs/dbraw/zinc/33/09/28/453330928.db2.gz FBXHVHYSYCFGMS-KRWDZBQOSA-N 2 2 335.492 1.478 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000653148318 453336920 /nfs/dbraw/zinc/33/69/20/453336920.db2.gz WZFICEHFPZAKOI-INIZCTEOSA-N 2 2 338.883 1.263 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000648861172 453337408 /nfs/dbraw/zinc/33/74/08/453337408.db2.gz ODEDOHFEDUVJTG-CQSZACIVSA-N 2 2 342.447 1.844 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000653153789 453341792 /nfs/dbraw/zinc/34/17/92/453341792.db2.gz ZWSOWRIVZXKHMH-RDJZCZTQSA-N 2 2 330.407 1.705 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000653153787 453342213 /nfs/dbraw/zinc/34/22/13/453342213.db2.gz ZWSOWRIVZXKHMH-DOTOQJQBSA-N 2 2 330.407 1.705 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000648869593 453345753 /nfs/dbraw/zinc/34/57/53/453345753.db2.gz ZEOCTALCXFTABY-UONOGXRCSA-N 2 2 330.436 1.635 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000653158982 453350607 /nfs/dbraw/zinc/35/06/07/453350607.db2.gz QLVAZPXRBAYBQG-UONOGXRCSA-N 2 2 325.840 1.949 20 0 EDADLP Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653161242 453354262 /nfs/dbraw/zinc/35/42/62/453354262.db2.gz IHXUBZNYYNQBMM-CQSZACIVSA-N 2 2 335.839 1.474 20 0 EDADLP C[C@@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)c1[nH+]ccn1C ZINC000660512137 453360318 /nfs/dbraw/zinc/36/03/18/453360318.db2.gz NQRWCKFYEIQMJL-CQSZACIVSA-N 2 2 345.447 1.921 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000653168010 453360715 /nfs/dbraw/zinc/36/07/15/453360715.db2.gz LWAHAJFTPODXMK-UONOGXRCSA-N 2 2 343.830 1.658 20 0 EDADLP C[C@@H](C(=O)NCC1([NH3+])CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662651286 453365556 /nfs/dbraw/zinc/36/55/56/453365556.db2.gz WALBHVHSWDPSQQ-HNNXBMFYSA-N 2 2 348.466 1.724 20 0 EDADLP CCc1nsc(N2CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000656697361 453374383 /nfs/dbraw/zinc/37/43/83/453374383.db2.gz CHHSTSQSTUADOX-CQSZACIVSA-N 2 2 341.525 1.314 20 0 EDADLP CCc1nsc(N2CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC2)n1 ZINC000656697361 453374390 /nfs/dbraw/zinc/37/43/90/453374390.db2.gz CHHSTSQSTUADOX-CQSZACIVSA-N 2 2 341.525 1.314 20 0 EDADLP CCc1nsc(N2CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000656697361 453374394 /nfs/dbraw/zinc/37/43/94/453374394.db2.gz CHHSTSQSTUADOX-CQSZACIVSA-N 2 2 341.525 1.314 20 0 EDADLP CCc1nsc(N2CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000656697361 453374401 /nfs/dbraw/zinc/37/44/01/453374401.db2.gz CHHSTSQSTUADOX-CQSZACIVSA-N 2 2 341.525 1.314 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656702026 453378980 /nfs/dbraw/zinc/37/89/80/453378980.db2.gz ITGJUJZUOKVQEL-IRXDYDNUSA-N 2 2 349.475 1.847 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656702026 453378988 /nfs/dbraw/zinc/37/89/88/453378988.db2.gz ITGJUJZUOKVQEL-IRXDYDNUSA-N 2 2 349.475 1.847 20 0 EDADLP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646443024 453388964 /nfs/dbraw/zinc/38/89/64/453388964.db2.gz BFAKJOBSDGSGSG-DLBZAZTESA-N 2 2 341.415 1.203 20 0 EDADLP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646443024 453388971 /nfs/dbraw/zinc/38/89/71/453388971.db2.gz BFAKJOBSDGSGSG-DLBZAZTESA-N 2 2 341.415 1.203 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1([NH2+]C2CC2)CCC1 ZINC000662682149 453402807 /nfs/dbraw/zinc/40/28/07/453402807.db2.gz GVNOVSFDPJKXIF-GOSISDBHSA-N 2 2 343.471 1.851 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662681343 453402874 /nfs/dbraw/zinc/40/28/74/453402874.db2.gz FLFADACBBDTWPR-CQSZACIVSA-N 2 2 343.435 1.220 20 0 EDADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662694805 453416350 /nfs/dbraw/zinc/41/63/50/453416350.db2.gz SYIOLWLYSAESIW-OAHLLOKOSA-N 2 2 327.350 1.660 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653258463 453441553 /nfs/dbraw/zinc/44/15/53/453441553.db2.gz JJYXEFCJHZSUSC-DJIMGWMZSA-N 2 2 346.475 1.649 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000662717994 453441812 /nfs/dbraw/zinc/44/18/12/453441812.db2.gz UUXMDZZSTDOUQK-PMPSAXMXSA-N 2 2 339.386 1.022 20 0 EDADLP C[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000662719522 453442842 /nfs/dbraw/zinc/44/28/42/453442842.db2.gz DXRBYKPVAFECRW-XVTSOASTSA-N 2 2 346.450 1.204 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1F ZINC000662744663 453472322 /nfs/dbraw/zinc/47/23/22/453472322.db2.gz CICHHRKIANUWLP-LRDDRELGSA-N 2 2 339.386 1.145 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664919493 453483846 /nfs/dbraw/zinc/48/38/46/453483846.db2.gz GMHGXDTZWQRAIZ-UONOGXRCSA-N 2 2 339.484 1.508 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664919493 453483851 /nfs/dbraw/zinc/48/38/51/453483851.db2.gz GMHGXDTZWQRAIZ-UONOGXRCSA-N 2 2 339.484 1.508 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])ccc2n1C1CC1 ZINC000662810815 453544868 /nfs/dbraw/zinc/54/48/68/453544868.db2.gz DLMDLFXBOPAXMD-RHSMWYFYSA-N 2 2 342.443 1.914 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@H](CO)C1CCC1 ZINC000662848706 453569933 /nfs/dbraw/zinc/56/99/33/453569933.db2.gz FQKXMKLWIQWXNK-ZWKOTPCHSA-N 2 2 342.443 1.078 20 0 EDADLP [NH3+]C1(C(=O)NCc2ccc[nH+]c2N2CCCC2)Cc2ccccc2C1 ZINC000662850194 453571097 /nfs/dbraw/zinc/57/10/97/453571097.db2.gz ONBFPGFPFSMSSV-UHFFFAOYSA-N 2 2 336.439 1.794 20 0 EDADLP CSc1c(F)cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1F ZINC000667364876 453578749 /nfs/dbraw/zinc/57/87/49/453578749.db2.gz QLYFIBJQJULFQM-SNVBAGLBSA-N 2 2 330.404 1.793 20 0 EDADLP CSc1c(F)cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1F ZINC000667364876 453578753 /nfs/dbraw/zinc/57/87/53/453578753.db2.gz QLYFIBJQJULFQM-SNVBAGLBSA-N 2 2 330.404 1.793 20 0 EDADLP C[NH+](C)C1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000667369055 453579167 /nfs/dbraw/zinc/57/91/67/453579167.db2.gz IIMFVWBBWPDGIJ-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662870259 453582017 /nfs/dbraw/zinc/58/20/17/453582017.db2.gz AXXKRPBPAJJVQV-SFHVURJKSA-N 2 2 343.471 1.241 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000659020406 453583553 /nfs/dbraw/zinc/58/35/53/453583553.db2.gz XIMTXELAZMEELP-QGZVFWFLSA-N 2 2 332.448 1.735 20 0 EDADLP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659022361 453585221 /nfs/dbraw/zinc/58/52/21/453585221.db2.gz OUJBCWUJDKECOX-CQSZACIVSA-N 2 2 348.422 1.410 20 0 EDADLP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899870 453593757 /nfs/dbraw/zinc/59/37/57/453593757.db2.gz HJMCPVLGCGUXQZ-OALUTQOASA-N 3 2 344.503 1.703 20 0 EDADLP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899870 453593758 /nfs/dbraw/zinc/59/37/58/453593758.db2.gz HJMCPVLGCGUXQZ-OALUTQOASA-N 3 2 344.503 1.703 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662899448 453593966 /nfs/dbraw/zinc/59/39/66/453593966.db2.gz DCVPKGWIIMWKJW-DNVCBOLYSA-N 3 2 344.503 1.947 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662899448 453593969 /nfs/dbraw/zinc/59/39/69/453593969.db2.gz DCVPKGWIIMWKJW-DNVCBOLYSA-N 3 2 344.503 1.947 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900993 453595237 /nfs/dbraw/zinc/59/52/37/453595237.db2.gz RAMIRQCNHGRDNM-FUHWJXTLSA-N 3 2 338.540 1.624 20 0 EDADLP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900993 453595240 /nfs/dbraw/zinc/59/52/40/453595240.db2.gz RAMIRQCNHGRDNM-FUHWJXTLSA-N 3 2 338.540 1.624 20 0 EDADLP [NH3+][C@@H](CC1CCCCC1)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662911013 453599016 /nfs/dbraw/zinc/59/90/16/453599016.db2.gz QKTYTFAGZUOUAC-SFHVURJKSA-N 2 2 337.508 1.855 20 0 EDADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000660854576 453612157 /nfs/dbraw/zinc/61/21/57/453612157.db2.gz ZIFYMDSOSSNYPD-IRXDYDNUSA-N 2 2 339.528 1.042 20 0 EDADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000657071182 453660962 /nfs/dbraw/zinc/66/09/62/453660962.db2.gz IMBNJBWNYQNZOE-HNNXBMFYSA-N 2 2 327.494 1.545 20 0 EDADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000657071182 453660967 /nfs/dbraw/zinc/66/09/67/453660967.db2.gz IMBNJBWNYQNZOE-HNNXBMFYSA-N 2 2 327.494 1.545 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1c[nH+]c[nH]1 ZINC000661089275 453711457 /nfs/dbraw/zinc/71/14/57/453711457.db2.gz ZZMMKWBHHMKUHZ-WBVHZDCISA-N 2 2 341.459 1.621 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1c[nH+]c[nH]1 ZINC000661089275 453711461 /nfs/dbraw/zinc/71/14/61/453711461.db2.gz ZZMMKWBHHMKUHZ-WBVHZDCISA-N 2 2 341.459 1.621 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)Cc1c[nH]c[nH+]1 ZINC000661089275 453711463 /nfs/dbraw/zinc/71/14/63/453711463.db2.gz ZZMMKWBHHMKUHZ-WBVHZDCISA-N 2 2 341.459 1.621 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)Cc1c[nH]c[nH+]1 ZINC000661089275 453711467 /nfs/dbraw/zinc/71/14/67/453711467.db2.gz ZZMMKWBHHMKUHZ-WBVHZDCISA-N 2 2 341.459 1.621 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[NH+](C)C)c1 ZINC000665536608 453736601 /nfs/dbraw/zinc/73/66/01/453736601.db2.gz VEVPXGKCYCFUIK-BRWVUGGUSA-N 2 2 342.443 1.951 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000661188869 453751630 /nfs/dbraw/zinc/75/16/30/453751630.db2.gz XDZLVKLNDLPSIO-ZCNNSNEGSA-N 2 2 347.503 1.273 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[NH+]2Cc1ccccc1 ZINC000661188869 453751632 /nfs/dbraw/zinc/75/16/32/453751632.db2.gz XDZLVKLNDLPSIO-ZCNNSNEGSA-N 2 2 347.503 1.273 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000661188869 453751636 /nfs/dbraw/zinc/75/16/36/453751636.db2.gz XDZLVKLNDLPSIO-ZCNNSNEGSA-N 2 2 347.503 1.273 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000661188869 453751638 /nfs/dbraw/zinc/75/16/38/453751638.db2.gz XDZLVKLNDLPSIO-ZCNNSNEGSA-N 2 2 347.503 1.273 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc[nH+]c3N3CCCC3)[C@@H]2C1 ZINC000665615840 453767126 /nfs/dbraw/zinc/76/71/26/453767126.db2.gz RGAPYJWAROCAHS-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc[nH+]c3N3CCCC3)[C@@H]2C1 ZINC000665615840 453767129 /nfs/dbraw/zinc/76/71/29/453767129.db2.gz RGAPYJWAROCAHS-DLBZAZTESA-N 2 2 343.475 1.917 20 0 EDADLP CC(C)c1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000663317716 453767259 /nfs/dbraw/zinc/76/72/59/453767259.db2.gz OGZPHLVLOALMCA-LJQANCHMSA-N 2 2 345.487 1.833 20 0 EDADLP C[C@H](C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C[NH+]1CCOCC1 ZINC000657369918 453776040 /nfs/dbraw/zinc/77/60/40/453776040.db2.gz IVAOENQWOTVRMN-APWZRJJASA-N 2 2 334.460 1.912 20 0 EDADLP Cc1[nH]c(CN[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)[nH+]c1C ZINC000657371682 453777180 /nfs/dbraw/zinc/77/71/80/453777180.db2.gz ZZUSEYZPXHMFAC-MSOLQXFVSA-N 2 2 328.460 1.999 20 0 EDADLP Cc1[nH]c(CN[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)[nH+]c1C ZINC000657371682 453777185 /nfs/dbraw/zinc/77/71/85/453777185.db2.gz ZZUSEYZPXHMFAC-MSOLQXFVSA-N 2 2 328.460 1.999 20 0 EDADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCS(N)(=O)=O ZINC000671626970 486684295 /nfs/dbraw/zinc/68/42/95/486684295.db2.gz HZMOLRKDUOMMJA-INIZCTEOSA-N 2 2 327.494 1.411 20 0 EDADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCS(N)(=O)=O ZINC000671626970 486684298 /nfs/dbraw/zinc/68/42/98/486684298.db2.gz HZMOLRKDUOMMJA-INIZCTEOSA-N 2 2 327.494 1.411 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CCCn3cc[nH+]c3)nc2)C1 ZINC000676516691 486792957 /nfs/dbraw/zinc/79/29/57/486792957.db2.gz IOHDQCOFMJFNSE-INIZCTEOSA-N 2 2 342.447 1.837 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2ccc(C(N)=O)o2)([NH+]2CCCCC2)CC1 ZINC000676575484 486811255 /nfs/dbraw/zinc/81/12/55/486811255.db2.gz BQHXXCPUKOKELP-UHFFFAOYSA-N 2 2 348.447 1.059 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C2 ZINC000683907696 486859598 /nfs/dbraw/zinc/85/95/98/486859598.db2.gz PYNCLCBVTXPZCA-QGZVFWFLSA-N 2 2 345.512 1.941 20 0 EDADLP O=C1C[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)N1c1ccccc1 ZINC000683921979 486869589 /nfs/dbraw/zinc/86/95/89/486869589.db2.gz GGPFPSRUEUYLDV-SJORKVTESA-N 2 2 337.379 1.867 20 0 EDADLP O=C1C[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C(=O)N1c1ccccc1 ZINC000683921979 486869594 /nfs/dbraw/zinc/86/95/94/486869594.db2.gz GGPFPSRUEUYLDV-SJORKVTESA-N 2 2 337.379 1.867 20 0 EDADLP COc1ccc(C[C@@H](C)C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1F ZINC000681113211 486942432 /nfs/dbraw/zinc/94/24/32/486942432.db2.gz IHIFBGKLQQYOCT-CQSZACIVSA-N 2 2 337.439 1.377 20 0 EDADLP COC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681217360 486976568 /nfs/dbraw/zinc/97/65/68/486976568.db2.gz DEWGJWPNRHDGTD-SJORKVTESA-N 2 2 340.512 1.467 20 0 EDADLP COC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681217360 486976572 /nfs/dbraw/zinc/97/65/72/486976572.db2.gz DEWGJWPNRHDGTD-SJORKVTESA-N 2 2 340.512 1.467 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc(O)c3)C2=O)C1 ZINC000677296907 487035849 /nfs/dbraw/zinc/03/58/49/487035849.db2.gz WVVHOXVKEMRXLA-IUODEOHRSA-N 2 2 340.383 1.247 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc(O)c3)C2=O)C1 ZINC000677296907 487035851 /nfs/dbraw/zinc/03/58/51/487035851.db2.gz WVVHOXVKEMRXLA-IUODEOHRSA-N 2 2 340.383 1.247 20 0 EDADLP COCCC1(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000684387302 487045284 /nfs/dbraw/zinc/04/52/84/487045284.db2.gz GOAPILXEZDJIHG-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP COCCC1(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000684387302 487045290 /nfs/dbraw/zinc/04/52/90/487045290.db2.gz GOAPILXEZDJIHG-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP c1cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668107557 487100941 /nfs/dbraw/zinc/10/09/41/487100941.db2.gz GAWBRXTVFMTGCR-KRWDZBQOSA-N 2 2 341.459 1.812 20 0 EDADLP c1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668107557 487100947 /nfs/dbraw/zinc/10/09/47/487100947.db2.gz GAWBRXTVFMTGCR-KRWDZBQOSA-N 2 2 341.459 1.812 20 0 EDADLP c1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668107557 487100953 /nfs/dbraw/zinc/10/09/53/487100953.db2.gz GAWBRXTVFMTGCR-KRWDZBQOSA-N 2 2 341.459 1.812 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC[NH+]3CCCCC3)[nH+]c12 ZINC000673768761 487109656 /nfs/dbraw/zinc/10/96/56/487109656.db2.gz MMZXHHQDKWZZTJ-UHFFFAOYSA-N 2 2 329.448 1.970 20 0 EDADLP CCOc1cnc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000681730691 487147975 /nfs/dbraw/zinc/14/79/75/487147975.db2.gz WXFVMKAEEUULCQ-HNNXBMFYSA-N 2 2 347.463 1.116 20 0 EDADLP CCOc1cnc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000681730691 487147981 /nfs/dbraw/zinc/14/79/81/487147981.db2.gz WXFVMKAEEUULCQ-HNNXBMFYSA-N 2 2 347.463 1.116 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000671922995 487155705 /nfs/dbraw/zinc/15/57/05/487155705.db2.gz QYSDOJGFLRURAH-KRWDZBQOSA-N 2 2 339.443 1.895 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000671922995 487155709 /nfs/dbraw/zinc/15/57/09/487155709.db2.gz QYSDOJGFLRURAH-KRWDZBQOSA-N 2 2 339.443 1.895 20 0 EDADLP C[C@@H](NC(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1)C1CC[NH+](C)CC1 ZINC000681874284 487213723 /nfs/dbraw/zinc/21/37/23/487213723.db2.gz ONRAYSIXZRTBMP-CABCVRRESA-N 2 2 333.480 1.817 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000674242197 487220701 /nfs/dbraw/zinc/22/07/01/487220701.db2.gz LOMOVBITBAWZBZ-WMLDXEAASA-N 2 2 333.480 1.151 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cnn(C)c1 ZINC000674242197 487220702 /nfs/dbraw/zinc/22/07/02/487220702.db2.gz LOMOVBITBAWZBZ-WMLDXEAASA-N 2 2 333.480 1.151 20 0 EDADLP COc1ccc(O)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681993301 487273608 /nfs/dbraw/zinc/27/36/08/487273608.db2.gz IGTAEZOPLQUPRZ-HNNXBMFYSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(O)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681993301 487273610 /nfs/dbraw/zinc/27/36/10/487273610.db2.gz IGTAEZOPLQUPRZ-HNNXBMFYSA-N 2 2 347.459 1.641 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682011945 487283358 /nfs/dbraw/zinc/28/33/58/487283358.db2.gz ZRPXYXRBDIPMHQ-UHFFFAOYSA-N 2 2 330.432 1.260 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682011945 487283363 /nfs/dbraw/zinc/28/33/63/487283363.db2.gz ZRPXYXRBDIPMHQ-UHFFFAOYSA-N 2 2 330.432 1.260 20 0 EDADLP CC(C)[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccnc1 ZINC000678687469 487352792 /nfs/dbraw/zinc/35/27/92/487352792.db2.gz ZGTOPLOKSKVMIE-OALUTQOASA-N 2 2 332.492 1.775 20 0 EDADLP C[NH+]1CCN(C(=O)CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678921945 487379683 /nfs/dbraw/zinc/37/96/83/487379683.db2.gz JZCAIOJYWAJFKW-SFHVURJKSA-N 2 2 344.503 1.403 20 0 EDADLP C[NH+]1CCN(C(=O)CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678921945 487379686 /nfs/dbraw/zinc/37/96/86/487379686.db2.gz JZCAIOJYWAJFKW-SFHVURJKSA-N 2 2 344.503 1.403 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000675151188 487383208 /nfs/dbraw/zinc/38/32/08/487383208.db2.gz JDOFIMWSFIBDOS-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C(=O)N1c1cnn(C)c1 ZINC000679063180 487390036 /nfs/dbraw/zinc/39/00/36/487390036.db2.gz DVYOERZIVCYKDA-SUMWQHHRSA-N 2 2 331.464 1.378 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000675272776 487394375 /nfs/dbraw/zinc/39/43/75/487394375.db2.gz HFSXGYPJJKKTET-PVAVHDDUSA-N 2 2 331.464 1.960 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000675272776 487394377 /nfs/dbraw/zinc/39/43/77/487394377.db2.gz HFSXGYPJJKKTET-PVAVHDDUSA-N 2 2 331.464 1.960 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C[N@@H+]1C1CC1 ZINC000675772013 487442790 /nfs/dbraw/zinc/44/27/90/487442790.db2.gz PVGUZNKYUPYPCC-UMVBOHGHSA-N 2 2 334.416 1.370 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C[N@H+]1C1CC1 ZINC000675772013 487442793 /nfs/dbraw/zinc/44/27/93/487442793.db2.gz PVGUZNKYUPYPCC-UMVBOHGHSA-N 2 2 334.416 1.370 20 0 EDADLP COc1cccc2c(N3CC[NH+](CC(=O)N(C)C)CC3)cc(C)[nH+]c12 ZINC000675788261 487444309 /nfs/dbraw/zinc/44/43/09/487444309.db2.gz ZWTODJXYKGUESF-UHFFFAOYSA-N 2 2 342.443 1.762 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000669024418 485573573 /nfs/dbraw/zinc/57/35/73/485573573.db2.gz GUEXPJACVFPYEO-INIZCTEOSA-N 2 2 329.448 1.718 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NCc1ccc(F)cc1 ZINC000670985252 485609498 /nfs/dbraw/zinc/60/94/98/485609498.db2.gz AKWXMYCMFCKIPH-GOSISDBHSA-N 2 2 349.450 1.629 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NCc1ccc(F)cc1 ZINC000670985252 485609506 /nfs/dbraw/zinc/60/95/06/485609506.db2.gz AKWXMYCMFCKIPH-GOSISDBHSA-N 2 2 349.450 1.629 20 0 EDADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000672146811 485855998 /nfs/dbraw/zinc/85/59/98/485855998.db2.gz CDNLMBGWWUGENZ-IAGOWNOFSA-N 2 2 339.443 1.621 20 0 EDADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000672146811 485856006 /nfs/dbraw/zinc/85/60/06/485856006.db2.gz CDNLMBGWWUGENZ-IAGOWNOFSA-N 2 2 339.443 1.621 20 0 EDADLP Cc1cc(N2CCC(NC(=O)c3ccc(C[NH3+])o3)CC2)nc(C)[nH+]1 ZINC000237786688 486004759 /nfs/dbraw/zinc/00/47/59/486004759.db2.gz MKIWXRCEINUBPX-UHFFFAOYSA-N 2 2 329.404 1.544 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039293 486070420 /nfs/dbraw/zinc/07/04/20/486070420.db2.gz DPIMPZXLFTVBSN-PMACEKPBSA-N 3 2 346.519 1.020 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039293 486070427 /nfs/dbraw/zinc/07/04/27/486070427.db2.gz DPIMPZXLFTVBSN-PMACEKPBSA-N 3 2 346.519 1.020 20 0 EDADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694681 486096700 /nfs/dbraw/zinc/09/67/00/486096700.db2.gz DPIHGQWXUYGSLQ-AWEZNQCLSA-N 2 2 340.493 1.338 20 0 EDADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694681 486096703 /nfs/dbraw/zinc/09/67/03/486096703.db2.gz DPIHGQWXUYGSLQ-AWEZNQCLSA-N 2 2 340.493 1.338 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000668793911 486202973 /nfs/dbraw/zinc/20/29/73/486202973.db2.gz ULXFBMHUIHXAIH-UHFFFAOYSA-N 2 2 339.443 1.635 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494903 486267910 /nfs/dbraw/zinc/26/79/10/486267910.db2.gz VARWMLZVPIOMGV-NUJGCVRESA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494903 486267913 /nfs/dbraw/zinc/26/79/13/486267913.db2.gz VARWMLZVPIOMGV-NUJGCVRESA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC(NS(C)(=O)=O)C2)C1 ZINC000669832200 486468995 /nfs/dbraw/zinc/46/89/95/486468995.db2.gz KHXTZWYLENELHG-XNGJBWTFSA-N 2 2 337.489 1.492 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC(NS(C)(=O)=O)C2)C1 ZINC000669832200 486468999 /nfs/dbraw/zinc/46/89/99/486468999.db2.gz KHXTZWYLENELHG-XNGJBWTFSA-N 2 2 337.489 1.492 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000670475012 486569988 /nfs/dbraw/zinc/56/99/88/486569988.db2.gz QYGXNNLIFMPZOB-UHFFFAOYSA-N 2 2 348.491 1.574 20 0 EDADLP C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000134983196 491227242 /nfs/dbraw/zinc/22/72/42/491227242.db2.gz DNEPTKZCXNPJQS-WMLDXEAASA-N 2 2 328.416 1.380 20 0 EDADLP C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000134983196 491227246 /nfs/dbraw/zinc/22/72/46/491227246.db2.gz DNEPTKZCXNPJQS-WMLDXEAASA-N 2 2 328.416 1.380 20 0 EDADLP C[C@@H](Oc1ccccn1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450366120 491013933 /nfs/dbraw/zinc/01/39/33/491013933.db2.gz SOYMRQIOQQVRST-JKSUJKDBSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@@H](Oc1ccccn1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450366120 491013934 /nfs/dbraw/zinc/01/39/34/491013934.db2.gz SOYMRQIOQQVRST-JKSUJKDBSA-N 2 2 346.475 1.476 20 0 EDADLP CC[N@H+](CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000131503283 527924689 /nfs/dbraw/zinc/92/46/89/527924689.db2.gz ZRUWEVXZMIICQD-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP CC[N@@H+](CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000131503283 527924697 /nfs/dbraw/zinc/92/46/97/527924697.db2.gz ZRUWEVXZMIICQD-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C1CC1 ZINC000131503283 527924708 /nfs/dbraw/zinc/92/47/08/527924708.db2.gz ZRUWEVXZMIICQD-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C1CC1 ZINC000131503283 527924711 /nfs/dbraw/zinc/92/47/11/527924711.db2.gz ZRUWEVXZMIICQD-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245523457 534947714 /nfs/dbraw/zinc/94/77/14/534947714.db2.gz UXUNOHVNXWXJEN-HOTGVXAUSA-N 2 2 331.464 1.691 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245523457 534947717 /nfs/dbraw/zinc/94/77/17/534947717.db2.gz UXUNOHVNXWXJEN-HOTGVXAUSA-N 2 2 331.464 1.691 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000347273391 535111778 /nfs/dbraw/zinc/11/17/78/535111778.db2.gz LFINMAFLTGTHCX-HOTGVXAUSA-N 2 2 349.479 1.527 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)C1 ZINC000347273391 535111786 /nfs/dbraw/zinc/11/17/86/535111786.db2.gz LFINMAFLTGTHCX-HOTGVXAUSA-N 2 2 349.479 1.527 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000262322509 535757785 /nfs/dbraw/zinc/75/77/85/535757785.db2.gz RWDNKIALXZZGJN-IBGZPJMESA-N 2 2 349.475 1.866 20 0 EDADLP Cn1nncc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000271201131 535917352 /nfs/dbraw/zinc/91/73/52/535917352.db2.gz UCWSBTIGJYYOEG-UHFFFAOYSA-N 2 2 344.463 1.078 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000114478431 535965677 /nfs/dbraw/zinc/96/56/77/535965677.db2.gz JAGCUDSMLUHEIS-OAHLLOKOSA-N 2 2 340.471 1.936 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000114478431 535965684 /nfs/dbraw/zinc/96/56/84/535965684.db2.gz JAGCUDSMLUHEIS-OAHLLOKOSA-N 2 2 340.471 1.936 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)s1 ZINC000353095558 536057357 /nfs/dbraw/zinc/05/73/57/536057357.db2.gz XRIDWOHULFCCPK-GFCCVEGCSA-N 2 2 346.522 1.108 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000272087849 536334104 /nfs/dbraw/zinc/33/41/04/536334104.db2.gz MOQXNOCTTZWOIC-UHFFFAOYSA-N 2 2 325.416 1.933 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000272087849 536334106 /nfs/dbraw/zinc/33/41/06/536334106.db2.gz MOQXNOCTTZWOIC-UHFFFAOYSA-N 2 2 325.416 1.933 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2ccncc2)([NH+]2CCCCC2)CC1 ZINC000080599399 536338856 /nfs/dbraw/zinc/33/88/56/536338856.db2.gz LVSXWCIYADKKRE-UHFFFAOYSA-N 2 2 345.491 1.831 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3C[C@H]3C(F)F)CC2)CC1 ZINC000344728237 536339786 /nfs/dbraw/zinc/33/97/86/536339786.db2.gz WJDUKGOXBVUZGD-KGLIPLIRSA-N 2 2 330.423 1.498 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)C1 ZINC000339427786 536395395 /nfs/dbraw/zinc/39/53/95/536395395.db2.gz BMRHALOHXLPAHS-LMMKCTJWSA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)C1 ZINC000339427786 536395397 /nfs/dbraw/zinc/39/53/97/536395397.db2.gz BMRHALOHXLPAHS-LMMKCTJWSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)C1 ZINC000339427786 536395400 /nfs/dbraw/zinc/39/54/00/536395400.db2.gz BMRHALOHXLPAHS-LMMKCTJWSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)C1 ZINC000339427786 536395403 /nfs/dbraw/zinc/39/54/03/536395403.db2.gz BMRHALOHXLPAHS-LMMKCTJWSA-N 2 2 335.492 1.574 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cn2)CC1 ZINC000247053587 536425804 /nfs/dbraw/zinc/42/58/04/536425804.db2.gz VDLZKZXMLGKWKU-ZWKOTPCHSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cn2)CC1 ZINC000247053587 536425807 /nfs/dbraw/zinc/42/58/07/536425807.db2.gz VDLZKZXMLGKWKU-ZWKOTPCHSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cn2)CC1 ZINC000247053587 536425809 /nfs/dbraw/zinc/42/58/09/536425809.db2.gz VDLZKZXMLGKWKU-ZWKOTPCHSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cn2)CC1 ZINC000247053587 536425812 /nfs/dbraw/zinc/42/58/12/536425812.db2.gz VDLZKZXMLGKWKU-ZWKOTPCHSA-N 3 2 344.507 1.145 20 0 EDADLP CO[C@@H]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000339545340 536594344 /nfs/dbraw/zinc/59/43/44/536594344.db2.gz JWNXUTBKBYLENK-QZTJIDSGSA-N 2 2 337.508 1.866 20 0 EDADLP CO[C@@H]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000341855989 536640126 /nfs/dbraw/zinc/64/01/26/536640126.db2.gz UQZWMUKPUALRJZ-GOEBONIOSA-N 2 2 326.485 1.127 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246400392 536696901 /nfs/dbraw/zinc/69/69/01/536696901.db2.gz QOMJLNBTQRHKRF-ZBFHGGJFSA-N 2 2 347.459 1.361 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246400392 536696904 /nfs/dbraw/zinc/69/69/04/536696904.db2.gz QOMJLNBTQRHKRF-ZBFHGGJFSA-N 2 2 347.459 1.361 20 0 EDADLP CS[C@@H]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000743627307 579486254 /nfs/dbraw/zinc/48/62/54/579486254.db2.gz YUQHNPBITIXDSK-IJEWVQPXSA-N 2 2 340.537 1.738 20 0 EDADLP CS[C@@H]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000743627307 579486255 /nfs/dbraw/zinc/48/62/55/579486255.db2.gz YUQHNPBITIXDSK-IJEWVQPXSA-N 2 2 340.537 1.738 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000726259713 578340357 /nfs/dbraw/zinc/34/03/57/578340357.db2.gz UCYVQKSLVOSVAM-TWMKSMIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000726259713 578340358 /nfs/dbraw/zinc/34/03/58/578340358.db2.gz UCYVQKSLVOSVAM-TWMKSMIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726259713 578340359 /nfs/dbraw/zinc/34/03/59/578340359.db2.gz UCYVQKSLVOSVAM-TWMKSMIVSA-N 2 2 340.512 1.373 20 0 EDADLP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726259713 578340360 /nfs/dbraw/zinc/34/03/60/578340360.db2.gz UCYVQKSLVOSVAM-TWMKSMIVSA-N 2 2 340.512 1.373 20 0 EDADLP CC[NH+](CC)CC1CC[NH+](CN2C(=O)c3cccc(N)c3C2=O)CC1 ZINC000738072080 578512451 /nfs/dbraw/zinc/51/24/51/578512451.db2.gz ZSPMNAKXLQCICQ-UHFFFAOYSA-N 2 2 344.459 1.876 20 0 EDADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000727830957 578539283 /nfs/dbraw/zinc/53/92/83/578539283.db2.gz YEUIJXPXLPCTAU-HNNXBMFYSA-N 2 2 341.477 1.267 20 0 EDADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000727830957 578539284 /nfs/dbraw/zinc/53/92/84/578539284.db2.gz YEUIJXPXLPCTAU-HNNXBMFYSA-N 2 2 341.477 1.267 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C[C@H](O)c2ccccc2)nc[nH+]1 ZINC000729920195 578599490 /nfs/dbraw/zinc/59/94/90/578599490.db2.gz KNMJGYQEKLUVFN-HOTGVXAUSA-N 2 2 327.432 1.810 20 0 EDADLP CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000730665839 578654656 /nfs/dbraw/zinc/65/46/56/578654656.db2.gz FQZASSBJVQIEMH-MRXNPFEDSA-N 2 2 341.496 1.774 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000730908504 578663324 /nfs/dbraw/zinc/66/33/24/578663324.db2.gz UAGUKXJTDMBZAL-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000730908504 578663325 /nfs/dbraw/zinc/66/33/25/578663325.db2.gz UAGUKXJTDMBZAL-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000734277139 578804511 /nfs/dbraw/zinc/80/45/11/578804511.db2.gz YPAXGWQOPLWQJO-MRXNPFEDSA-N 3 2 339.528 1.184 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000734277139 578804512 /nfs/dbraw/zinc/80/45/12/578804512.db2.gz YPAXGWQOPLWQJO-MRXNPFEDSA-N 3 2 339.528 1.184 20 0 EDADLP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000734277139 578804513 /nfs/dbraw/zinc/80/45/13/578804513.db2.gz YPAXGWQOPLWQJO-MRXNPFEDSA-N 3 2 339.528 1.184 20 0 EDADLP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000734277139 578804514 /nfs/dbraw/zinc/80/45/14/578804514.db2.gz YPAXGWQOPLWQJO-MRXNPFEDSA-N 3 2 339.528 1.184 20 0 EDADLP C[NH+](C)CCNC(=S)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000734311074 578808688 /nfs/dbraw/zinc/80/86/88/578808688.db2.gz YPNKGVYRZZEFKB-ZDUSSCGKSA-N 2 2 330.448 1.593 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000761076165 580046735 /nfs/dbraw/zinc/04/67/35/580046735.db2.gz ILRFLXYMTAMVCV-GOSISDBHSA-N 2 2 344.503 1.275 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000761076165 580046736 /nfs/dbraw/zinc/04/67/36/580046736.db2.gz ILRFLXYMTAMVCV-GOSISDBHSA-N 2 2 344.503 1.275 20 0 EDADLP CC(C)[NH2+]C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735893322 578936845 /nfs/dbraw/zinc/93/68/45/578936845.db2.gz SZOKAYJPEWJZRQ-UHFFFAOYSA-N 2 2 330.436 1.708 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000745484367 579551370 /nfs/dbraw/zinc/55/13/70/579551370.db2.gz XGDGRWZJOQQFTJ-ZFWWWQNUSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000745484367 579551371 /nfs/dbraw/zinc/55/13/71/579551371.db2.gz XGDGRWZJOQQFTJ-ZFWWWQNUSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000746418050 579592788 /nfs/dbraw/zinc/59/27/88/579592788.db2.gz VPTWNQGCEVCWSD-NVXWUHKLSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000746418050 579592789 /nfs/dbraw/zinc/59/27/89/579592789.db2.gz VPTWNQGCEVCWSD-NVXWUHKLSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000746418050 579592790 /nfs/dbraw/zinc/59/27/90/579592790.db2.gz VPTWNQGCEVCWSD-NVXWUHKLSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000746418050 579592791 /nfs/dbraw/zinc/59/27/91/579592791.db2.gz VPTWNQGCEVCWSD-NVXWUHKLSA-N 2 2 338.496 1.080 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(N(C)C)[nH+]1 ZINC000750213408 579755852 /nfs/dbraw/zinc/75/58/52/579755852.db2.gz FGDQHYFRUCUYKJ-UONOGXRCSA-N 2 2 345.447 1.138 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(N(C)C)[nH+]1 ZINC000750213408 579755853 /nfs/dbraw/zinc/75/58/53/579755853.db2.gz FGDQHYFRUCUYKJ-UONOGXRCSA-N 2 2 345.447 1.138 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000750853201 579783897 /nfs/dbraw/zinc/78/38/97/579783897.db2.gz GKVKMFPZYUXJFP-CYBMUJFWSA-N 2 2 345.472 1.629 20 0 EDADLP C[C@H]1C[N@H+](CN2CC3(CCCC3)CC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763333432 580097979 /nfs/dbraw/zinc/09/79/79/580097979.db2.gz IDBRRMRFOBOJSZ-ROUUACIJSA-N 2 2 348.535 1.694 20 0 EDADLP C[C@H]1C[N@@H+](CN2CC3(CCCC3)CC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763333432 580097980 /nfs/dbraw/zinc/09/79/80/580097980.db2.gz IDBRRMRFOBOJSZ-ROUUACIJSA-N 2 2 348.535 1.694 20 0 EDADLP C[C@H]1C[N@H+](CN2C(=O)C(C)(C)C2(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763335529 580097987 /nfs/dbraw/zinc/09/79/87/580097987.db2.gz LSNRTNXVKFMPSV-JKSUJKDBSA-N 2 2 336.524 1.549 20 0 EDADLP C[C@H]1C[N@@H+](CN2C(=O)C(C)(C)C2(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763335529 580097988 /nfs/dbraw/zinc/09/79/88/580097988.db2.gz LSNRTNXVKFMPSV-JKSUJKDBSA-N 2 2 336.524 1.549 20 0 EDADLP O=C1C[C@H](c2cccnc2)CN1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000765694153 580148873 /nfs/dbraw/zinc/14/88/73/580148873.db2.gz NKTFSBKLKPCFCP-IRXDYDNUSA-N 2 2 325.416 1.889 20 0 EDADLP O=C1C[C@H](c2cccnc2)CN1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000765694153 580148874 /nfs/dbraw/zinc/14/88/74/580148874.db2.gz NKTFSBKLKPCFCP-IRXDYDNUSA-N 2 2 325.416 1.889 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000765703836 580149338 /nfs/dbraw/zinc/14/93/38/580149338.db2.gz GBMIAUVYQVDKHA-KZNAEPCWSA-N 2 2 328.460 1.771 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000765703836 580149339 /nfs/dbraw/zinc/14/93/39/580149339.db2.gz GBMIAUVYQVDKHA-KZNAEPCWSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000765703836 580149340 /nfs/dbraw/zinc/14/93/40/580149340.db2.gz GBMIAUVYQVDKHA-KZNAEPCWSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000765703836 580149341 /nfs/dbraw/zinc/14/93/41/580149341.db2.gz GBMIAUVYQVDKHA-KZNAEPCWSA-N 2 2 328.460 1.771 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000768848128 580222253 /nfs/dbraw/zinc/22/22/53/580222253.db2.gz OUNBVDBQZLVXRJ-INIZCTEOSA-N 2 2 330.476 1.210 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000768848128 580222254 /nfs/dbraw/zinc/22/22/54/580222254.db2.gz OUNBVDBQZLVXRJ-INIZCTEOSA-N 2 2 330.476 1.210 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000769979277 580250334 /nfs/dbraw/zinc/25/03/34/580250334.db2.gz JJJHNCSHGAEDTJ-YOEHRIQHSA-N 2 2 343.431 1.391 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000769979277 580250335 /nfs/dbraw/zinc/25/03/35/580250335.db2.gz JJJHNCSHGAEDTJ-YOEHRIQHSA-N 2 2 343.431 1.391 20 0 EDADLP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000775824867 580402014 /nfs/dbraw/zinc/40/20/14/580402014.db2.gz WCSJNZQCBUVOOI-INIZCTEOSA-N 2 2 333.480 1.251 20 0 EDADLP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)nc1 ZINC000775972881 580405496 /nfs/dbraw/zinc/40/54/96/580405496.db2.gz QFPXIYDHPZTQAB-UHFFFAOYSA-N 2 2 327.432 1.527 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000785506075 580646052 /nfs/dbraw/zinc/64/60/52/580646052.db2.gz MUGFHSPICIXQOT-OAHLLOKOSA-N 2 2 332.448 1.428 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2cc3[nH]cccc-3c2=O)C1 ZINC000785506075 580646053 /nfs/dbraw/zinc/64/60/53/580646053.db2.gz MUGFHSPICIXQOT-OAHLLOKOSA-N 2 2 332.448 1.428 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)OCC(=O)N2 ZINC000796743432 580961004 /nfs/dbraw/zinc/96/10/04/580961004.db2.gz IPOCTNQAPIYYEA-QEJZJMRPSA-N 2 2 331.416 1.531 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)OCC(=O)N2 ZINC000796743432 580961005 /nfs/dbraw/zinc/96/10/05/580961005.db2.gz IPOCTNQAPIYYEA-QEJZJMRPSA-N 2 2 331.416 1.531 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cnc(Cl)cn3)CC2)CC1 ZINC000799165959 581020433 /nfs/dbraw/zinc/02/04/33/581020433.db2.gz STDMZVHEQBGTNB-UHFFFAOYSA-N 2 2 337.899 1.980 20 0 EDADLP C[NH+](C)CCNC(=S)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000799900077 581038537 /nfs/dbraw/zinc/03/85/37/581038537.db2.gz GFLDBGUDSLNQCS-CQSZACIVSA-N 2 2 335.521 1.835 20 0 EDADLP COc1cc(N2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)ccc1F ZINC000801963908 581089172 /nfs/dbraw/zinc/08/91/72/581089172.db2.gz MCTVHAKYFDCSKP-INIZCTEOSA-N 2 2 337.439 1.413 20 0 EDADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891819705 590637284 /nfs/dbraw/zinc/63/72/84/590637284.db2.gz RIMGXSZSGNMBDB-GJZGRUSLSA-N 2 2 331.464 1.810 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891940898 590697349 /nfs/dbraw/zinc/69/73/49/590697349.db2.gz TWMZVXKUJVZVEU-BBRMVZONSA-N 2 2 327.432 1.978 20 0 EDADLP CC(C)C[C@H]([NH2+]Cc1nnc(C2CC2)s1)C(=O)NCC[NH+](C)C ZINC000893261265 590741628 /nfs/dbraw/zinc/74/16/28/590741628.db2.gz XLONPOAPVJARFC-ZDUSSCGKSA-N 2 2 339.509 1.598 20 0 EDADLP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nccn2c[nH+]cc12 ZINC000893286918 590755414 /nfs/dbraw/zinc/75/54/14/590755414.db2.gz WTUORMGYEIYWNG-IBGZPJMESA-N 2 2 337.427 1.803 20 0 EDADLP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nccn2c[nH+]cc12 ZINC000893286918 590755416 /nfs/dbraw/zinc/75/54/16/590755416.db2.gz WTUORMGYEIYWNG-IBGZPJMESA-N 2 2 337.427 1.803 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000892033317 590762164 /nfs/dbraw/zinc/76/21/64/590762164.db2.gz DJBWFKQIWMRVRJ-INIZCTEOSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000892033317 590762167 /nfs/dbraw/zinc/76/21/67/590762167.db2.gz DJBWFKQIWMRVRJ-INIZCTEOSA-N 2 2 334.464 1.232 20 0 EDADLP O=C1C[C@H]([NH2+]C[C@@H]2CCc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000893354093 590798656 /nfs/dbraw/zinc/79/86/56/590798656.db2.gz DTXKBAOCLFRIRV-ROUUACIJSA-N 2 2 343.471 1.239 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C2)cc1 ZINC000892140628 590819060 /nfs/dbraw/zinc/81/90/60/590819060.db2.gz CJQTZZCTAGLFJA-YQQAZPJKSA-N 2 2 334.464 1.231 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])C2)cc1 ZINC000892140628 590819063 /nfs/dbraw/zinc/81/90/63/590819063.db2.gz CJQTZZCTAGLFJA-YQQAZPJKSA-N 2 2 334.464 1.231 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000892146374 590821317 /nfs/dbraw/zinc/82/13/17/590821317.db2.gz JUWFBBOKROHPGU-DLBZAZTESA-N 2 2 334.464 1.232 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000892146374 590821319 /nfs/dbraw/zinc/82/13/19/590821319.db2.gz JUWFBBOKROHPGU-DLBZAZTESA-N 2 2 334.464 1.232 20 0 EDADLP CC[C@H](CO)Nc1cc(NCC2([NH+]3CCCC3)CCOCC2)nc[nH+]1 ZINC000892341241 590970013 /nfs/dbraw/zinc/97/00/13/590970013.db2.gz XTUIJWXWHFYKBN-OAHLLOKOSA-N 2 2 349.479 1.716 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892483629 591043691 /nfs/dbraw/zinc/04/36/91/591043691.db2.gz SAHHFQCICYXRLN-OWCLPIDISA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892513622 591054603 /nfs/dbraw/zinc/05/46/03/591054603.db2.gz FRZOUNKOICTQHL-JSGCOSHPSA-N 2 2 335.477 1.266 20 0 EDADLP O=C(OCc1ccccc1)N1CC([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000893707672 591056804 /nfs/dbraw/zinc/05/68/04/591056804.db2.gz WTDVHALKOUMOIU-OAHLLOKOSA-N 2 2 326.400 1.809 20 0 EDADLP F[C@@H]1CC2(CC[C@H]1[NH2+]Cc1cccnc1-n1cc[nH+]c1)OCCO2 ZINC000892546391 591068000 /nfs/dbraw/zinc/06/80/00/591068000.db2.gz IDXUMITUPUHCBO-HUUCEWRRSA-N 2 2 332.379 1.991 20 0 EDADLP O=S(=O)(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000840882655 591080690 /nfs/dbraw/zinc/08/06/90/591080690.db2.gz QGQJYRWSLNEHAI-UHFFFAOYSA-N 2 2 336.501 1.860 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2F)[C@H](C[NH3+])C1 ZINC000892620658 591099439 /nfs/dbraw/zinc/09/94/39/591099439.db2.gz OJFOSCJPYGBJQM-LLVKDONJSA-N 2 2 349.237 1.917 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2F)[C@H](C[NH3+])C1 ZINC000892620658 591099442 /nfs/dbraw/zinc/09/94/42/591099442.db2.gz OJFOSCJPYGBJQM-LLVKDONJSA-N 2 2 349.237 1.917 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000891564039 591127085 /nfs/dbraw/zinc/12/70/85/591127085.db2.gz GFOOOJMIWORDNU-MJVIPROJSA-N 2 2 326.391 1.604 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)C1 ZINC000894014150 591170968 /nfs/dbraw/zinc/17/09/68/591170968.db2.gz JCAWPQTWUKTBAY-HNNXBMFYSA-N 2 2 329.448 1.480 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)C1 ZINC000894014150 591170970 /nfs/dbraw/zinc/17/09/70/591170970.db2.gz JCAWPQTWUKTBAY-HNNXBMFYSA-N 2 2 329.448 1.480 20 0 EDADLP C[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000894044426 591176996 /nfs/dbraw/zinc/17/69/96/591176996.db2.gz UWITYCIJQHIQHJ-GOEBONIOSA-N 2 2 341.496 1.990 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(C)c1 ZINC000891704340 591193655 /nfs/dbraw/zinc/19/36/55/591193655.db2.gz WAWJEMFEIHXTFW-BQFCYCMXSA-N 2 2 339.443 1.997 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000891728486 591201434 /nfs/dbraw/zinc/20/14/34/591201434.db2.gz DAWJQBFNIBFBMQ-LVLWZLKYSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000891728486 591201436 /nfs/dbraw/zinc/20/14/36/591201436.db2.gz DAWJQBFNIBFBMQ-LVLWZLKYSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@@H]2C1 ZINC000891741980 591206088 /nfs/dbraw/zinc/20/60/88/591206088.db2.gz XCSPHMNIVOSGOQ-JKSUJKDBSA-N 2 2 329.448 1.527 20 0 EDADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)[C@@H]2C1 ZINC000891741980 591206089 /nfs/dbraw/zinc/20/60/89/591206089.db2.gz XCSPHMNIVOSGOQ-JKSUJKDBSA-N 2 2 329.448 1.527 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3C[NH2+]CCC3(F)F)cn21 ZINC000891758022 591213951 /nfs/dbraw/zinc/21/39/51/591213951.db2.gz BSLXMZYHLRGPNV-GFCCVEGCSA-N 2 2 337.374 1.687 20 0 EDADLP COC(=O)c1cnc(C[NH2+]CCCCN2CC[NH+](C)CC2)s1 ZINC000894174560 591217216 /nfs/dbraw/zinc/21/72/16/591217216.db2.gz VGCBQIQYUKGABI-UHFFFAOYSA-N 2 2 326.466 1.047 20 0 EDADLP COCC1(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000895684213 591252358 /nfs/dbraw/zinc/25/23/58/591252358.db2.gz BJDPHJBFQJUQAN-KRWDZBQOSA-N 2 2 325.497 1.189 20 0 EDADLP COc1ncc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000895685403 591252507 /nfs/dbraw/zinc/25/25/07/591252507.db2.gz LLJONDRSMKTOKP-CQSZACIVSA-N 2 2 340.493 1.038 20 0 EDADLP CCOC(=O)c1ncc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)s1 ZINC000893028281 591259741 /nfs/dbraw/zinc/25/97/41/591259741.db2.gz CRCWJEJHEDMZEH-LBPRGKRZSA-N 2 2 327.450 1.378 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)[nH+]c2cnccc12 ZINC000895768496 591268995 /nfs/dbraw/zinc/26/89/95/591268995.db2.gz CZKZNVDSHBZORG-KGLIPLIRSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)[nH+]c2cnccc12 ZINC000895768496 591268996 /nfs/dbraw/zinc/26/89/96/591268996.db2.gz CZKZNVDSHBZORG-KGLIPLIRSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)c2ccncc2[nH+]1 ZINC000895768496 591268997 /nfs/dbraw/zinc/26/89/97/591268997.db2.gz CZKZNVDSHBZORG-KGLIPLIRSA-N 3 2 326.448 1.862 20 0 EDADLP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)c2ccncc2[nH+]1 ZINC000895768496 591268998 /nfs/dbraw/zinc/26/89/98/591268998.db2.gz CZKZNVDSHBZORG-KGLIPLIRSA-N 3 2 326.448 1.862 20 0 EDADLP Cc1nn(C)c(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Cl ZINC000894460083 591318271 /nfs/dbraw/zinc/31/82/71/591318271.db2.gz RYDMTEUGQOZSBU-OAHLLOKOSA-N 2 2 339.915 1.982 20 0 EDADLP Cc1nn(C)c(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Cl ZINC000894460083 591318274 /nfs/dbraw/zinc/31/82/74/591318274.db2.gz RYDMTEUGQOZSBU-OAHLLOKOSA-N 2 2 339.915 1.982 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCC(C)(C)C2)[C@@H](C)CO1 ZINC000898588509 591418684 /nfs/dbraw/zinc/41/86/84/591418684.db2.gz KNUGJCGAOKHGJT-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCC(C)(C)C2)[C@@H](C)CO1 ZINC000898588509 591418686 /nfs/dbraw/zinc/41/86/86/591418686.db2.gz KNUGJCGAOKHGJT-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CCC(C)(C)C2)[C@@H](C)CO1 ZINC000898588509 591418688 /nfs/dbraw/zinc/41/86/88/591418688.db2.gz KNUGJCGAOKHGJT-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3C[C@H]4CC[C@@H](C3)S4)C2)CC1 ZINC000896326079 591420205 /nfs/dbraw/zinc/42/02/05/591420205.db2.gz XBDRMAOZMWJWNJ-AZZBFNOKSA-N 2 2 337.533 1.945 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3C[C@H]4CC[C@@H](C3)S4)C2)CC1 ZINC000896326079 591420208 /nfs/dbraw/zinc/42/02/08/591420208.db2.gz XBDRMAOZMWJWNJ-AZZBFNOKSA-N 2 2 337.533 1.945 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000896312050 591421144 /nfs/dbraw/zinc/42/11/44/591421144.db2.gz ZJPJMZZLQIXXOJ-DGCLKSJQSA-N 2 2 331.507 1.650 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898592571 591426965 /nfs/dbraw/zinc/42/69/65/591426965.db2.gz NLUWPODLGFVCFU-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000898592571 591426967 /nfs/dbraw/zinc/42/69/67/591426967.db2.gz NLUWPODLGFVCFU-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1cccc(NCCNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[nH+]1 ZINC000896447818 591470372 /nfs/dbraw/zinc/47/03/72/591470372.db2.gz VUXXDEOWLGXWNB-OAHLLOKOSA-N 2 2 328.420 1.722 20 0 EDADLP Cc1cccc(NCCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[nH+]1 ZINC000896447818 591470375 /nfs/dbraw/zinc/47/03/75/591470375.db2.gz VUXXDEOWLGXWNB-OAHLLOKOSA-N 2 2 328.420 1.722 20 0 EDADLP Cc1cccc(NCCNC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)[nH+]1 ZINC000896447818 591470377 /nfs/dbraw/zinc/47/03/77/591470377.db2.gz VUXXDEOWLGXWNB-OAHLLOKOSA-N 2 2 328.420 1.722 20 0 EDADLP Cc1cccc(NCCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)[nH+]1 ZINC000896447818 591470379 /nfs/dbraw/zinc/47/03/79/591470379.db2.gz VUXXDEOWLGXWNB-OAHLLOKOSA-N 2 2 328.420 1.722 20 0 EDADLP COCCOC[C@@H](C)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898716967 591487875 /nfs/dbraw/zinc/48/78/75/591487875.db2.gz BOKWMIPJROHUDE-MNOVXSKESA-N 2 2 332.242 1.602 20 0 EDADLP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3c[nH]cn3)cc2)CC1 ZINC000895011426 591522401 /nfs/dbraw/zinc/52/24/01/591522401.db2.gz HNTZRFPMBPQVOM-UHFFFAOYSA-N 2 2 327.432 1.397 20 0 EDADLP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3c[nH+]c[nH]3)cc2)CC1 ZINC000895011426 591522404 /nfs/dbraw/zinc/52/24/04/591522404.db2.gz HNTZRFPMBPQVOM-UHFFFAOYSA-N 3 2 327.432 1.397 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000896595438 591546048 /nfs/dbraw/zinc/54/60/48/591546048.db2.gz RUIBAEFJILFOKC-ZDUSSCGKSA-N 2 2 339.509 1.736 20 0 EDADLP C[NH+](C)Cc1csc(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000896595438 591546050 /nfs/dbraw/zinc/54/60/50/591546050.db2.gz RUIBAEFJILFOKC-ZDUSSCGKSA-N 2 2 339.509 1.736 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@H](c2ccccc2)C1 ZINC000897591732 591572299 /nfs/dbraw/zinc/57/22/99/591572299.db2.gz HGKMILCTDULLAW-NUJGCVRESA-N 2 2 339.443 1.452 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)[C@H](c2ccccc2)C1 ZINC000897591732 591572301 /nfs/dbraw/zinc/57/23/01/591572301.db2.gz HGKMILCTDULLAW-NUJGCVRESA-N 2 2 339.443 1.452 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000898883002 591576954 /nfs/dbraw/zinc/57/69/54/591576954.db2.gz FPRMWLMPMFNECT-SJORKVTESA-N 2 2 342.443 1.482 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000898883002 591576957 /nfs/dbraw/zinc/57/69/57/591576957.db2.gz FPRMWLMPMFNECT-SJORKVTESA-N 2 2 342.443 1.482 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000898892122 591582549 /nfs/dbraw/zinc/58/25/49/591582549.db2.gz NIYFQDRCOFRAIK-UXLLHSPISA-N 2 2 328.416 1.263 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000898892122 591582551 /nfs/dbraw/zinc/58/25/51/591582551.db2.gz NIYFQDRCOFRAIK-UXLLHSPISA-N 2 2 328.416 1.263 20 0 EDADLP CN(C(=O)C[C@@H]1CC(C)(C)CO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989496 591706554 /nfs/dbraw/zinc/70/65/54/591706554.db2.gz UDYHQYKUGSRCIL-DLBZAZTESA-N 2 2 337.508 1.819 20 0 EDADLP CN(C(=O)C[C@@H]1CC(C)(C)CO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989496 591706557 /nfs/dbraw/zinc/70/65/57/591706557.db2.gz UDYHQYKUGSRCIL-DLBZAZTESA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000899160613 591707076 /nfs/dbraw/zinc/70/70/76/591707076.db2.gz RKRPVOXFUQITRL-APWZRJJASA-N 2 2 343.471 1.613 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000899147789 591708265 /nfs/dbraw/zinc/70/82/65/591708265.db2.gz BBKGKWMEKZJIFM-IRXDYDNUSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000899147789 591708267 /nfs/dbraw/zinc/70/82/67/591708267.db2.gz BBKGKWMEKZJIFM-IRXDYDNUSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000899147789 591708271 /nfs/dbraw/zinc/70/82/71/591708271.db2.gz BBKGKWMEKZJIFM-IRXDYDNUSA-N 2 2 346.475 1.271 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000899147789 591708272 /nfs/dbraw/zinc/70/82/72/591708272.db2.gz BBKGKWMEKZJIFM-IRXDYDNUSA-N 2 2 346.475 1.271 20 0 EDADLP C[NH+](C)Cc1csc(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)n1 ZINC000897946580 591732854 /nfs/dbraw/zinc/73/28/54/591732854.db2.gz UMYRSTJYYJOGTP-ZDUSSCGKSA-N 2 2 334.449 1.947 20 0 EDADLP C[NH+](C)Cc1csc(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)n1 ZINC000897946580 591732855 /nfs/dbraw/zinc/73/28/55/591732855.db2.gz UMYRSTJYYJOGTP-ZDUSSCGKSA-N 2 2 334.449 1.947 20 0 EDADLP O=C(NCc1ccc(-c2c[nH]c[nH+]2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000898040916 591765547 /nfs/dbraw/zinc/76/55/47/591765547.db2.gz OHVRBLLCGGCNRM-UHFFFAOYSA-N 2 2 340.427 1.804 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCc2nnnn2C)C[N@H+](Cc2ccccc2)C1 ZINC000898039962 591765666 /nfs/dbraw/zinc/76/56/66/591765666.db2.gz LMCSHSZSFLLXPJ-WBVHZDCISA-N 2 2 328.464 1.643 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CCCc2nnnn2C)C[N@@H+](Cc2ccccc2)C1 ZINC000898039962 591765669 /nfs/dbraw/zinc/76/56/69/591765669.db2.gz LMCSHSZSFLLXPJ-WBVHZDCISA-N 2 2 328.464 1.643 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000895463709 591766751 /nfs/dbraw/zinc/76/67/51/591766751.db2.gz BAMFASIJGOAGTP-ZWKOTPCHSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000895463709 591766757 /nfs/dbraw/zinc/76/67/57/591766757.db2.gz BAMFASIJGOAGTP-ZWKOTPCHSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000895463709 591766760 /nfs/dbraw/zinc/76/67/60/591766760.db2.gz BAMFASIJGOAGTP-ZWKOTPCHSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000895463709 591766763 /nfs/dbraw/zinc/76/67/63/591766763.db2.gz BAMFASIJGOAGTP-ZWKOTPCHSA-N 2 2 345.487 1.876 20 0 EDADLP Cc1[nH]c(C2CCN(C(=O)C(C)(C)N3CCOCC3)CC2)[nH+]c1C ZINC000899509206 591834176 /nfs/dbraw/zinc/83/41/76/591834176.db2.gz JDDJUYMHESXJFZ-UHFFFAOYSA-N 2 2 334.464 1.843 20 0 EDADLP Cc1[nH]c(C2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)[nH+]c1C ZINC000899509206 591834180 /nfs/dbraw/zinc/83/41/80/591834180.db2.gz JDDJUYMHESXJFZ-UHFFFAOYSA-N 2 2 334.464 1.843 20 0 EDADLP C[NH2+][C@H](CNc1cc(N2CCOCC2)[nH+]cn1)Cc1ccccc1 ZINC000900019489 591870553 /nfs/dbraw/zinc/87/05/53/591870553.db2.gz BDQAOOQUHOUJQP-INIZCTEOSA-N 2 2 327.432 1.556 20 0 EDADLP C/C(=C\C(=O)NCCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000900059322 591889732 /nfs/dbraw/zinc/88/97/32/591889732.db2.gz ZNNDXMOMMGJVKQ-NTCAYCPXSA-N 2 2 328.416 1.272 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898366696 591892473 /nfs/dbraw/zinc/89/24/73/591892473.db2.gz FHNVAZNXKBXMAU-WZRBSPASSA-N 2 2 337.855 1.487 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000898366696 591892478 /nfs/dbraw/zinc/89/24/78/591892478.db2.gz FHNVAZNXKBXMAU-WZRBSPASSA-N 2 2 337.855 1.487 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC[N@H+](C)CCO)c2)cc[nH+]1 ZINC000899737565 591926574 /nfs/dbraw/zinc/92/65/74/591926574.db2.gz KPDNFRGDZDQBMN-UHFFFAOYSA-N 2 2 343.431 1.051 20 0 EDADLP Cc1nc(NCc2cccc(C(=O)NCC[N@@H+](C)CCO)c2)cc[nH+]1 ZINC000899737565 591926577 /nfs/dbraw/zinc/92/65/77/591926577.db2.gz KPDNFRGDZDQBMN-UHFFFAOYSA-N 2 2 343.431 1.051 20 0 EDADLP O=C1N(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C[C@@]12CCCOC2 ZINC000902218214 591947363 /nfs/dbraw/zinc/94/73/63/591947363.db2.gz QBIOIAMMGTUHCZ-LJQANCHMSA-N 2 2 346.475 1.972 20 0 EDADLP CCNc1ccccc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000902255218 591954646 /nfs/dbraw/zinc/95/46/46/591954646.db2.gz HRNOUXOQENFKEE-QGZVFWFLSA-N 2 2 346.475 1.141 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)C1([NH3+])CC1 ZINC000902353221 591985607 /nfs/dbraw/zinc/98/56/07/591985607.db2.gz XLOIVNQHLUBWBZ-GOEBONIOSA-N 2 2 347.459 1.330 20 0 EDADLP C[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000902448568 591998806 /nfs/dbraw/zinc/99/88/06/591998806.db2.gz GOKFUSFQFVZEHR-CJNGLKHVSA-N 2 2 337.489 1.875 20 0 EDADLP O=C1Nc2ncc(Br)cc2C[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000902453056 591998997 /nfs/dbraw/zinc/99/89/97/591998997.db2.gz BVFFUPJEVDMYIV-RYUDHWBXSA-N 2 2 339.237 1.439 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000900390208 592004598 /nfs/dbraw/zinc/00/45/98/592004598.db2.gz CCRDEKSVYYUDHP-MAUKXSAKSA-N 2 2 332.448 1.143 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000900390208 592004601 /nfs/dbraw/zinc/00/46/01/592004601.db2.gz CCRDEKSVYYUDHP-MAUKXSAKSA-N 2 2 332.448 1.143 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000900449065 592020724 /nfs/dbraw/zinc/02/07/24/592020724.db2.gz OPCIQPAYBAIBBQ-UHFFFAOYSA-N 2 2 347.507 1.853 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cn(C)nn3)cc2)CC1 ZINC000902751677 592057407 /nfs/dbraw/zinc/05/74/07/592057407.db2.gz XKJLAMXWUHJTBU-INIZCTEOSA-N 2 2 342.491 1.803 20 0 EDADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cn(C)nn3)cc2)CC1 ZINC000902751677 592057409 /nfs/dbraw/zinc/05/74/09/592057409.db2.gz XKJLAMXWUHJTBU-INIZCTEOSA-N 2 2 342.491 1.803 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC000900587852 592060533 /nfs/dbraw/zinc/06/05/33/592060533.db2.gz SDDLDCHQVLZDHM-UHFFFAOYSA-N 2 2 342.443 1.897 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900600095 592065448 /nfs/dbraw/zinc/06/54/48/592065448.db2.gz WITJWLPRWLDLHM-CVEARBPZSA-N 2 2 331.464 1.081 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900600095 592065450 /nfs/dbraw/zinc/06/54/50/592065450.db2.gz WITJWLPRWLDLHM-CVEARBPZSA-N 2 2 331.464 1.081 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc(NC4CC4)s3)C2)CC1 ZINC000900675795 592091264 /nfs/dbraw/zinc/09/12/64/592091264.db2.gz WHEPYXJJRKAEDX-CYBMUJFWSA-N 2 2 349.504 1.616 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc(NC4CC4)s3)C2)CC1 ZINC000900675795 592091266 /nfs/dbraw/zinc/09/12/66/592091266.db2.gz WHEPYXJJRKAEDX-CYBMUJFWSA-N 2 2 349.504 1.616 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C)c1cn(C)nn1 ZINC000903039863 592105053 /nfs/dbraw/zinc/10/50/53/592105053.db2.gz ZDDCBWPLTLPHKC-SUNYJGFJSA-N 2 2 343.479 1.815 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C)c1cn(C)nn1 ZINC000903039863 592105056 /nfs/dbraw/zinc/10/50/56/592105056.db2.gz ZDDCBWPLTLPHKC-SUNYJGFJSA-N 2 2 343.479 1.815 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900788093 592123714 /nfs/dbraw/zinc/12/37/14/592123714.db2.gz UMTOGIUNLOKRKC-SFHVURJKSA-N 2 2 338.540 1.591 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCC[NH+]1CCN(C(C)C)CC1 ZINC000900788093 592123716 /nfs/dbraw/zinc/12/37/16/592123716.db2.gz UMTOGIUNLOKRKC-SFHVURJKSA-N 2 2 338.540 1.591 20 0 EDADLP CO[C@@H]1COC[C@H]1n1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)nn1 ZINC000903172153 592129798 /nfs/dbraw/zinc/12/97/98/592129798.db2.gz MGTLMPCVILVLBQ-FHNZIMOESA-N 2 2 347.463 1.112 20 0 EDADLP CO[C@@H]1COC[C@H]1n1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nn1 ZINC000903172153 592129801 /nfs/dbraw/zinc/12/98/01/592129801.db2.gz MGTLMPCVILVLBQ-FHNZIMOESA-N 2 2 347.463 1.112 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000900813772 592134680 /nfs/dbraw/zinc/13/46/80/592134680.db2.gz HCSDKUSVRAIBGZ-RDTXWAMCSA-N 2 2 328.416 1.218 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000900813772 592134681 /nfs/dbraw/zinc/13/46/81/592134681.db2.gz HCSDKUSVRAIBGZ-RDTXWAMCSA-N 2 2 328.416 1.218 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903217880 592141320 /nfs/dbraw/zinc/14/13/20/592141320.db2.gz FMIQEPAHFUOIAR-SOLBZPMBSA-N 2 2 330.476 1.750 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903217880 592141321 /nfs/dbraw/zinc/14/13/21/592141321.db2.gz FMIQEPAHFUOIAR-SOLBZPMBSA-N 2 2 330.476 1.750 20 0 EDADLP Cc1cccc(NC(=O)CN2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)c1C ZINC000903441292 592170713 /nfs/dbraw/zinc/17/07/13/592170713.db2.gz LYMYXXIQRSMTSN-AEFFLSMTSA-N 2 2 344.503 1.715 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900920387 592172529 /nfs/dbraw/zinc/17/25/29/592172529.db2.gz KTGXJTAIXZTWGE-JYJNAYRXSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900920387 592172531 /nfs/dbraw/zinc/17/25/31/592172531.db2.gz KTGXJTAIXZTWGE-JYJNAYRXSA-N 2 2 337.464 1.099 20 0 EDADLP O=C1[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCN1C1CCC1 ZINC000903505490 592181696 /nfs/dbraw/zinc/18/16/96/592181696.db2.gz DGDPGIGPMWTACI-KSZLIROESA-N 2 2 332.492 1.040 20 0 EDADLP O=C1[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CCN1C1CCC1 ZINC000903505490 592181699 /nfs/dbraw/zinc/18/16/99/592181699.db2.gz DGDPGIGPMWTACI-KSZLIROESA-N 2 2 332.492 1.040 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000903563498 592211252 /nfs/dbraw/zinc/21/12/52/592211252.db2.gz FPFIVDJCHOSGEK-IHRRRGAJSA-N 2 2 334.407 1.897 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000903563498 592211253 /nfs/dbraw/zinc/21/12/53/592211253.db2.gz FPFIVDJCHOSGEK-IHRRRGAJSA-N 2 2 334.407 1.897 20 0 EDADLP C[C@@]1(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]C1 ZINC000904332916 592232562 /nfs/dbraw/zinc/23/25/62/592232562.db2.gz UCPVMSYUNAFGLO-DLBZAZTESA-N 2 2 343.537 1.703 20 0 EDADLP C[C@@]1(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCC[NH2+]C1 ZINC000904332916 592232567 /nfs/dbraw/zinc/23/25/67/592232567.db2.gz UCPVMSYUNAFGLO-DLBZAZTESA-N 2 2 343.537 1.703 20 0 EDADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc(N)nn2)CC1 ZINC000904367652 592239397 /nfs/dbraw/zinc/23/93/97/592239397.db2.gz BPHYFYPGBQXQCL-QGZVFWFLSA-N 2 2 326.448 1.940 20 0 EDADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](Cc2ccc(N)nn2)CC1 ZINC000904367652 592239401 /nfs/dbraw/zinc/23/94/01/592239401.db2.gz BPHYFYPGBQXQCL-QGZVFWFLSA-N 2 2 326.448 1.940 20 0 EDADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(N)nn2)CC1 ZINC000904367652 592239403 /nfs/dbraw/zinc/23/94/03/592239403.db2.gz BPHYFYPGBQXQCL-QGZVFWFLSA-N 2 2 326.448 1.940 20 0 EDADLP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(N)nn2)CC1 ZINC000904367652 592239406 /nfs/dbraw/zinc/23/94/06/592239406.db2.gz BPHYFYPGBQXQCL-QGZVFWFLSA-N 2 2 326.448 1.940 20 0 EDADLP O=C(CNc1cccc[nH+]1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000901119460 592239503 /nfs/dbraw/zinc/23/95/03/592239503.db2.gz QQSNHEOQABJHPB-JKSUJKDBSA-N 2 2 332.448 1.378 20 0 EDADLP C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C[C@@H]1n1cc[nH+]c1 ZINC000906657910 592240355 /nfs/dbraw/zinc/24/03/55/592240355.db2.gz SXQGGVWGDASUEJ-BBRMVZONSA-N 2 2 341.415 1.390 20 0 EDADLP Cc1cccc2ncc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n21 ZINC000906661982 592245020 /nfs/dbraw/zinc/24/50/20/592245020.db2.gz TWFVIUIUUVJIEY-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1cccc2ncc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n21 ZINC000906661982 592245022 /nfs/dbraw/zinc/24/50/22/592245022.db2.gz TWFVIUIUUVJIEY-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP CCC(=O)N1CCc2ccc(NC(=O)N3CC[NH2+]CC[NH2+]CC3)cc21 ZINC000904554154 592278718 /nfs/dbraw/zinc/27/87/18/592278718.db2.gz MZRSODKWJFYMSK-UHFFFAOYSA-N 2 2 345.447 1.012 20 0 EDADLP CC[N@H+](CCS(=O)(=O)Nc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000903745682 592292109 /nfs/dbraw/zinc/29/21/09/592292109.db2.gz NWYHBXKQYWTSID-INIZCTEOSA-N 2 2 325.478 1.892 20 0 EDADLP CC[N@@H+](CCS(=O)(=O)Nc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000903745682 592292112 /nfs/dbraw/zinc/29/21/12/592292112.db2.gz NWYHBXKQYWTSID-INIZCTEOSA-N 2 2 325.478 1.892 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CN(C[C@H]2CCC[C@@H](C(F)(F)F)O2)C[C@H]1[NH3+] ZINC000903781700 592321266 /nfs/dbraw/zinc/32/12/66/592321266.db2.gz UYCBDNUPCNBXBY-BYNQJWBRSA-N 2 2 332.370 1.647 20 0 EDADLP Cn1c(CCN2CC[NH2+]CCC23CCOCC3)[nH+]c2ccccc21 ZINC000903817958 592325341 /nfs/dbraw/zinc/32/53/41/592325341.db2.gz QNJXMZXGFXJHNJ-UHFFFAOYSA-N 2 2 328.460 1.960 20 0 EDADLP [NH3+]C[C@]12CC[C@H]1CCN2CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000903855397 592347087 /nfs/dbraw/zinc/34/70/87/592347087.db2.gz MOYDFADOBDFLLR-MAUKXSAKSA-N 2 2 348.516 1.206 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856823 592347850 /nfs/dbraw/zinc/34/78/50/592347850.db2.gz RWFXSVFENHZDFB-HNAYVOBHSA-N 2 2 349.450 1.866 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856823 592347852 /nfs/dbraw/zinc/34/78/52/592347852.db2.gz RWFXSVFENHZDFB-HNAYVOBHSA-N 2 2 349.450 1.866 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903861940 592349837 /nfs/dbraw/zinc/34/98/37/592349837.db2.gz ZMWDIJCQDRAGGM-YXJHDRRASA-N 2 2 333.432 1.198 20 0 EDADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903861940 592349842 /nfs/dbraw/zinc/34/98/42/592349842.db2.gz ZMWDIJCQDRAGGM-YXJHDRRASA-N 2 2 333.432 1.198 20 0 EDADLP Cc1ccccc1N1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903876142 592356634 /nfs/dbraw/zinc/35/66/34/592356634.db2.gz DMGYJCBZUFMMSS-QGZVFWFLSA-N 2 2 340.475 1.833 20 0 EDADLP CN(C(=O)C[NH+]1CCN(C[C@@H]([NH3+])CC(F)F)CC1)C1CCCCC1 ZINC000903892834 592366519 /nfs/dbraw/zinc/36/65/19/592366519.db2.gz XMIGTAMVVHYAGZ-AWEZNQCLSA-N 2 2 346.466 1.378 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cnn1C ZINC000903910305 592375347 /nfs/dbraw/zinc/37/53/47/592375347.db2.gz LJKNUTBFMPRTKN-QGZVFWFLSA-N 3 2 342.491 1.372 20 0 EDADLP COC(=O)[C@@H](Cc1cccc(OC)c1)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903933967 592385829 /nfs/dbraw/zinc/38/58/29/592385829.db2.gz CFSOWOLFLHAIBZ-YCXXCVGLSA-N 2 2 332.444 1.900 20 0 EDADLP CCn1nc(C2CC2)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000906907783 592398771 /nfs/dbraw/zinc/39/87/71/592398771.db2.gz SQVKUBZXMCWQAM-UHFFFAOYSA-N 2 2 333.480 1.536 20 0 EDADLP c1[nH+]c2ccccn2c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980552 592400060 /nfs/dbraw/zinc/40/00/60/592400060.db2.gz UQPKRESATYVDJD-CALCHBBNSA-N 3 2 325.460 1.735 20 0 EDADLP c1[nH+]c2ccccn2c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980552 592400065 /nfs/dbraw/zinc/40/00/65/592400065.db2.gz UQPKRESATYVDJD-CALCHBBNSA-N 3 2 325.460 1.735 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000905160827 592436684 /nfs/dbraw/zinc/43/66/84/592436684.db2.gz SXHVFYRWMFGMML-BPQIPLTHSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000905160827 592436686 /nfs/dbraw/zinc/43/66/86/592436686.db2.gz SXHVFYRWMFGMML-BPQIPLTHSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000905151905 592441288 /nfs/dbraw/zinc/44/12/88/592441288.db2.gz PMBGUCSHGXKUCG-HOCLYGCPSA-N 2 2 330.436 1.659 20 0 EDADLP C[C@]1(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904306009 592473087 /nfs/dbraw/zinc/47/30/87/592473087.db2.gz XZZOVRSHILSCAC-FQEVSTJZSA-N 2 2 344.503 1.310 20 0 EDADLP C[C@]1(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904306009 592473091 /nfs/dbraw/zinc/47/30/91/592473091.db2.gz XZZOVRSHILSCAC-FQEVSTJZSA-N 2 2 344.503 1.310 20 0 EDADLP CCS(=O)(=O)c1ccccc1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905562811 592567522 /nfs/dbraw/zinc/56/75/22/592567522.db2.gz ZLHHETUEYXUPQI-MRXNPFEDSA-N 2 2 340.489 1.069 20 0 EDADLP CCN1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000905553811 592574437 /nfs/dbraw/zinc/57/44/37/592574437.db2.gz VSRNQFRAOQTIDO-HKUYNNGSSA-N 2 2 331.460 1.224 20 0 EDADLP CCN1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000905553811 592574440 /nfs/dbraw/zinc/57/44/40/592574440.db2.gz VSRNQFRAOQTIDO-HKUYNNGSSA-N 2 2 331.460 1.224 20 0 EDADLP CN1CC[N@H+](C)CC(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000905701634 592614561 /nfs/dbraw/zinc/61/45/61/592614561.db2.gz PUFZAYYMOZNLTH-UHFFFAOYSA-N 2 2 341.459 1.041 20 0 EDADLP CN1CC[N@@H+](C)CC(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000905701634 592614564 /nfs/dbraw/zinc/61/45/64/592614564.db2.gz PUFZAYYMOZNLTH-UHFFFAOYSA-N 2 2 341.459 1.041 20 0 EDADLP [NH3+]C1CCN(Cc2cn(Cc3ccc(-n4cc[nH+]c4)cc3)nn2)CC1 ZINC000905787222 592649251 /nfs/dbraw/zinc/64/92/51/592649251.db2.gz GYNDSXZGPSOQHZ-UHFFFAOYSA-N 2 2 337.431 1.435 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(C[NH3+])ccn1 ZINC000906225119 592765705 /nfs/dbraw/zinc/76/57/05/592765705.db2.gz DGLJDDYXTVVZAI-QGZVFWFLSA-N 2 2 340.427 1.404 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(C[NH3+])ccn1 ZINC000906225119 592765706 /nfs/dbraw/zinc/76/57/06/592765706.db2.gz DGLJDDYXTVVZAI-QGZVFWFLSA-N 2 2 340.427 1.404 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@@H]3CC[NH+]4CCC[C@@H]4C3)co2)C1 ZINC000906242027 592769440 /nfs/dbraw/zinc/76/94/40/592769440.db2.gz ZVXGSYBDSHFQNS-KFWWJZLASA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@@H]3CC[NH+]4CCC[C@@H]4C3)co2)C1 ZINC000906242027 592769441 /nfs/dbraw/zinc/76/94/41/592769441.db2.gz ZVXGSYBDSHFQNS-KFWWJZLASA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)co2)C1 ZINC000906242027 592769442 /nfs/dbraw/zinc/76/94/42/592769442.db2.gz ZVXGSYBDSHFQNS-KFWWJZLASA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)co2)C1 ZINC000906242027 592769443 /nfs/dbraw/zinc/76/94/43/592769443.db2.gz ZVXGSYBDSHFQNS-KFWWJZLASA-N 2 2 348.447 1.252 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)CC1 ZINC000907794153 592797423 /nfs/dbraw/zinc/79/74/23/592797423.db2.gz QBUWDKPQXJWJTM-IRXDYDNUSA-N 2 2 340.487 1.047 20 0 EDADLP [NH3+][C@@H](Cc1ccn[nH]1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000911636463 592961584 /nfs/dbraw/zinc/96/15/84/592961584.db2.gz PXKARIWPRVOHTN-KRWDZBQOSA-N 2 2 327.432 1.014 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000911900458 593028399 /nfs/dbraw/zinc/02/83/99/593028399.db2.gz PAXDPGRJIOQOJL-OALUTQOASA-N 2 2 343.471 1.092 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000911894260 593032262 /nfs/dbraw/zinc/03/22/62/593032262.db2.gz XEFHFRNQFHBQNV-ZWKOTPCHSA-N 2 2 340.427 1.454 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000911894260 593032264 /nfs/dbraw/zinc/03/22/64/593032264.db2.gz XEFHFRNQFHBQNV-ZWKOTPCHSA-N 2 2 340.427 1.454 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000911951768 593038082 /nfs/dbraw/zinc/03/80/82/593038082.db2.gz NWTASEWSZPCADT-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000911951768 593038084 /nfs/dbraw/zinc/03/80/84/593038084.db2.gz NWTASEWSZPCADT-MRXNPFEDSA-N 2 2 347.463 1.202 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000912532757 593103636 /nfs/dbraw/zinc/10/36/36/593103636.db2.gz YYQJNZLNIHGVCI-HNNXBMFYSA-N 2 2 343.431 1.615 20 0 EDADLP C[NH+](C)CCOc1ccc(/C=C\C(=O)NCCn2cc[nH+]c2)cc1 ZINC000808007219 593215073 /nfs/dbraw/zinc/21/50/73/593215073.db2.gz VOLHYAXTKLNOEV-YVMONPNESA-N 2 2 328.416 1.653 20 0 EDADLP CCn1ncc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)n1 ZINC000838891074 593234406 /nfs/dbraw/zinc/23/44/06/593234406.db2.gz OXFOFVREHNUFTP-HNNXBMFYSA-N 2 2 334.493 1.438 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000839148663 593264959 /nfs/dbraw/zinc/26/49/59/593264959.db2.gz LJFHNRUZYIHLEG-SUMWQHHRSA-N 2 2 337.489 1.557 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000839148663 593264960 /nfs/dbraw/zinc/26/49/60/593264960.db2.gz LJFHNRUZYIHLEG-SUMWQHHRSA-N 2 2 337.489 1.557 20 0 EDADLP O=C1N(C[NH+]2CCC(n3cc[nH+]c3)CC2)[C@@H](C2CC2)[C@]12CCCO2 ZINC000840005654 593341396 /nfs/dbraw/zinc/34/13/96/593341396.db2.gz ZAHOTJPXOJBOIL-FUHWJXTLSA-N 2 2 330.432 1.648 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C(=O)[C@@]12CCCO2 ZINC000840005889 593341857 /nfs/dbraw/zinc/34/18/57/593341857.db2.gz YXEXJXPYQISBFA-SOLBZPMBSA-N 2 2 332.448 1.894 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C(=O)[C@@]12CCCO2 ZINC000840005889 593341860 /nfs/dbraw/zinc/34/18/60/593341860.db2.gz YXEXJXPYQISBFA-SOLBZPMBSA-N 2 2 332.448 1.894 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCOCC4)[C@@H]3C3CC3)CC[C@@H]21 ZINC000840028365 593392523 /nfs/dbraw/zinc/39/25/23/593392523.db2.gz OMXRUZVLCOLTFW-SQNIBIBYSA-N 2 2 347.503 1.778 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCOCC4)[C@@H]3C3CC3)CC[C@@H]21 ZINC000840028365 593392526 /nfs/dbraw/zinc/39/25/26/593392526.db2.gz OMXRUZVLCOLTFW-SQNIBIBYSA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)C4(CCOCC4)[C@@H]3C3CC3)CC[C@@H]21 ZINC000840028365 593392529 /nfs/dbraw/zinc/39/25/29/593392529.db2.gz OMXRUZVLCOLTFW-SQNIBIBYSA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)C4(CCOCC4)[C@@H]3C3CC3)CC[C@@H]21 ZINC000840028365 593392532 /nfs/dbraw/zinc/39/25/32/593392532.db2.gz OMXRUZVLCOLTFW-SQNIBIBYSA-N 2 2 347.503 1.778 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CN3C[C@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000840029597 593393923 /nfs/dbraw/zinc/39/39/23/593393923.db2.gz FUKWGRAWIQUUDW-MJGOQNOKSA-N 2 2 348.535 1.693 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(CN3C[C@H]4CCC[C@@H]4C3=O)CC2)CC1 ZINC000840029597 593393925 /nfs/dbraw/zinc/39/39/25/593393925.db2.gz FUKWGRAWIQUUDW-MJGOQNOKSA-N 2 2 348.535 1.693 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C3(CCOCC3)[C@H]2C2CC2)C1 ZINC000840031808 593395612 /nfs/dbraw/zinc/39/56/12/593395612.db2.gz SRCDMOAVXCSNTB-KZNAEPCWSA-N 2 2 347.503 1.778 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C3(CCOCC3)[C@H]2C2CC2)C1 ZINC000840031808 593395614 /nfs/dbraw/zinc/39/56/14/593395614.db2.gz SRCDMOAVXCSNTB-KZNAEPCWSA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)C3(CCOCC3)[C@H]2C2CC2)C1 ZINC000840031808 593395616 /nfs/dbraw/zinc/39/56/16/593395616.db2.gz SRCDMOAVXCSNTB-KZNAEPCWSA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)C3(CCOCC3)[C@H]2C2CC2)C1 ZINC000840031808 593395618 /nfs/dbraw/zinc/39/56/18/593395618.db2.gz SRCDMOAVXCSNTB-KZNAEPCWSA-N 2 2 347.503 1.778 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000840035759 593401481 /nfs/dbraw/zinc/40/14/81/593401481.db2.gz JDYMEBINXCQTHG-RVKKMQEKSA-N 2 2 330.432 1.337 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000840035759 593401482 /nfs/dbraw/zinc/40/14/82/593401482.db2.gz JDYMEBINXCQTHG-RVKKMQEKSA-N 2 2 330.432 1.337 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000840035754 593401525 /nfs/dbraw/zinc/40/15/25/593401525.db2.gz JDYMEBINXCQTHG-RKVPGOIHSA-N 2 2 330.432 1.337 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000840035754 593401526 /nfs/dbraw/zinc/40/15/26/593401526.db2.gz JDYMEBINXCQTHG-RKVPGOIHSA-N 2 2 330.432 1.337 20 0 EDADLP c1cn(-c2cc(CNc3nc(N4CCOCC4)cc[nH+]3)ccn2)c[nH+]1 ZINC000811779576 593481659 /nfs/dbraw/zinc/48/16/59/593481659.db2.gz VXDMBSYOALDMQG-UHFFFAOYSA-N 2 2 337.387 1.506 20 0 EDADLP C[C@@H](O)CNc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc[nH+]1 ZINC000840244517 593487776 /nfs/dbraw/zinc/48/77/76/593487776.db2.gz VRJNRZKXGGYBCW-UKRRQHHQSA-N 2 2 335.452 1.325 20 0 EDADLP C[C@@H](O)CNc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]cn1 ZINC000840244517 593487777 /nfs/dbraw/zinc/48/77/77/593487777.db2.gz VRJNRZKXGGYBCW-UKRRQHHQSA-N 2 2 335.452 1.325 20 0 EDADLP CN(Cc1cnn(C)c1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000816610643 593534661 /nfs/dbraw/zinc/53/46/61/593534661.db2.gz SBLHWDLVPSZZPQ-OAHLLOKOSA-N 2 2 325.888 1.674 20 0 EDADLP CN(Cc1cnn(C)c1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000816610643 593534663 /nfs/dbraw/zinc/53/46/63/593534663.db2.gz SBLHWDLVPSZZPQ-OAHLLOKOSA-N 2 2 325.888 1.674 20 0 EDADLP CC[C@H](C)CONC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000813826975 593556811 /nfs/dbraw/zinc/55/68/11/593556811.db2.gz SKPJBDNCHRIOOG-PMRDEQMMSA-N 2 2 338.496 1.917 20 0 EDADLP CC[C@H](C)CONC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000813826975 593556812 /nfs/dbraw/zinc/55/68/12/593556812.db2.gz SKPJBDNCHRIOOG-PMRDEQMMSA-N 2 2 338.496 1.917 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](F)C(F)(F)F)CC2)CC1 ZINC000817656930 593620423 /nfs/dbraw/zinc/62/04/23/593620423.db2.gz RBUORPZCEOMZGG-CYBMUJFWSA-N 2 2 339.377 1.905 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](F)C(F)(F)F)CC2)CC1 ZINC000817656930 593620424 /nfs/dbraw/zinc/62/04/24/593620424.db2.gz RBUORPZCEOMZGG-CYBMUJFWSA-N 2 2 339.377 1.905 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@H](O)c2cnn(C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000817897643 593646696 /nfs/dbraw/zinc/64/66/96/593646696.db2.gz ULBUZVYARPLYFD-SQNIBIBYSA-N 2 2 330.432 1.545 20 0 EDADLP CCn1nc(C)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000818614922 593708118 /nfs/dbraw/zinc/70/81/18/593708118.db2.gz IXWXGDNYRSTQKB-YJBOKZPZSA-N 2 2 327.432 1.952 20 0 EDADLP O[C@@H](C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000818964919 593730841 /nfs/dbraw/zinc/73/08/41/593730841.db2.gz LGGJYOZRKXRBPS-FQEVSTJZSA-N 2 2 331.504 1.945 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)c(F)c1 ZINC000818987115 593732562 /nfs/dbraw/zinc/73/25/62/593732562.db2.gz STLYKTJQMBRATI-WOSRLPQWSA-N 2 2 328.815 1.965 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)c(F)c1 ZINC000818987115 593732563 /nfs/dbraw/zinc/73/25/63/593732563.db2.gz STLYKTJQMBRATI-WOSRLPQWSA-N 2 2 328.815 1.965 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000819162386 593742123 /nfs/dbraw/zinc/74/21/23/593742123.db2.gz ACAYLELVPSWETF-CQSZACIVSA-N 2 2 334.420 1.700 20 0 EDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000820563711 593833704 /nfs/dbraw/zinc/83/37/04/593833704.db2.gz UFKWGNAPQOPXJL-ZDUSSCGKSA-N 2 2 338.419 1.483 20 0 EDADLP CC1(C)[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1[NH+]1CCOCC1 ZINC000823795415 593860641 /nfs/dbraw/zinc/86/06/41/593860641.db2.gz BJKNQSBQSVWOIA-HOTGVXAUSA-N 2 2 328.416 1.792 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNc2[nH+]c(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000821268360 594003782 /nfs/dbraw/zinc/00/37/82/594003782.db2.gz VLULAOYNOFCJKW-AWEZNQCLSA-N 2 2 344.467 1.316 20 0 EDADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)C[NH+]1CCOCC1 ZINC000824428890 594009790 /nfs/dbraw/zinc/00/97/90/594009790.db2.gz UNQOLUNNPQVUIK-OLZOCXBDSA-N 2 2 348.426 1.625 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)n2c1 ZINC000822284402 594024389 /nfs/dbraw/zinc/02/43/89/594024389.db2.gz RIEHMYKJPNLEEC-UHFFFAOYSA-N 2 2 349.398 1.991 20 0 EDADLP COC(=O)CC[C@H]([NH3+])c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000822677735 594084122 /nfs/dbraw/zinc/08/41/22/594084122.db2.gz ZWCCBIPWEOQQCB-NSHDSACASA-N 2 2 328.332 1.270 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000822784893 594099888 /nfs/dbraw/zinc/09/98/88/594099888.db2.gz IGQLITXBVPHLOF-GFCCVEGCSA-N 2 2 342.359 1.579 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)/C=C/COc2ccccc2)CC1 ZINC000829674433 594238373 /nfs/dbraw/zinc/23/83/73/594238373.db2.gz SRJKHQUCUOCSQI-RMKNXTFCSA-N 2 2 331.460 1.764 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000827774141 594275856 /nfs/dbraw/zinc/27/58/56/594275856.db2.gz CTEBJRZWZXOXTP-GOSISDBHSA-N 2 2 330.476 1.641 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000827774141 594275858 /nfs/dbraw/zinc/27/58/58/594275858.db2.gz CTEBJRZWZXOXTP-GOSISDBHSA-N 2 2 330.476 1.641 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[C@@H]([NH3+])C3CC3)CC2)cc1F ZINC000825930642 594283809 /nfs/dbraw/zinc/28/38/09/594283809.db2.gz WEFNMVAJBMOFCA-MRXNPFEDSA-N 2 2 335.423 1.606 20 0 EDADLP COCOc1ccc(OC)cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000827891731 594298806 /nfs/dbraw/zinc/29/88/06/594298806.db2.gz MOVMZKCKXGHZBH-UHFFFAOYSA-N 2 2 346.431 1.734 20 0 EDADLP COc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1-c1nn[nH]n1 ZINC000826194892 594372610 /nfs/dbraw/zinc/37/26/10/594372610.db2.gz ZFYIGIGMABSUKN-UHFFFAOYSA-N 2 2 330.436 1.838 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000830550485 594420241 /nfs/dbraw/zinc/42/02/41/594420241.db2.gz YUHOFSYHOWUWNA-HNNXBMFYSA-N 2 2 340.418 1.820 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)[C@@H]([NH3+])CC(F)F)CC2)cc1 ZINC000830550485 594420243 /nfs/dbraw/zinc/42/02/43/594420243.db2.gz YUHOFSYHOWUWNA-HNNXBMFYSA-N 2 2 340.418 1.820 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000826551433 594523387 /nfs/dbraw/zinc/52/33/87/594523387.db2.gz MENFUSZIXIYSTJ-OALUTQOASA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000826551433 594523388 /nfs/dbraw/zinc/52/33/88/594523388.db2.gz MENFUSZIXIYSTJ-OALUTQOASA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC000826551433 594523389 /nfs/dbraw/zinc/52/33/89/594523389.db2.gz MENFUSZIXIYSTJ-OALUTQOASA-N 2 2 345.487 1.654 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC000826551433 594523390 /nfs/dbraw/zinc/52/33/90/594523390.db2.gz MENFUSZIXIYSTJ-OALUTQOASA-N 2 2 345.487 1.654 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000826603008 594537818 /nfs/dbraw/zinc/53/78/18/594537818.db2.gz BATYCBSQDXECPU-SFHVURJKSA-N 2 2 333.476 1.652 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC000826603008 594537819 /nfs/dbraw/zinc/53/78/19/594537819.db2.gz BATYCBSQDXECPU-SFHVURJKSA-N 2 2 333.476 1.652 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC000826603008 594537820 /nfs/dbraw/zinc/53/78/20/594537820.db2.gz BATYCBSQDXECPU-SFHVURJKSA-N 2 2 333.476 1.652 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC000826603008 594537821 /nfs/dbraw/zinc/53/78/21/594537821.db2.gz BATYCBSQDXECPU-SFHVURJKSA-N 2 2 333.476 1.652 20 0 EDADLP CC[NH+]1CCN(CC(=O)N2Cc3ccc[nH+]c3N3CCC[C@H]3C2)CC1 ZINC000829063761 594561049 /nfs/dbraw/zinc/56/10/49/594561049.db2.gz DCJUGDHPAOBWBN-KRWDZBQOSA-N 2 2 343.475 1.030 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000826720668 594563612 /nfs/dbraw/zinc/56/36/12/594563612.db2.gz MBNNVFXUYGAKRL-FQEVSTJZSA-N 2 2 347.422 1.815 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3C[NH2+]CCC3(F)F)cn21 ZINC000831198057 594579667 /nfs/dbraw/zinc/57/96/67/594579667.db2.gz ZBBPWKIOLZPIBI-ZDUSSCGKSA-N 2 2 337.374 1.482 20 0 EDADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)CO2 ZINC000827061410 594632793 /nfs/dbraw/zinc/63/27/93/594632793.db2.gz OQAHFXXGMTWTFG-CYBMUJFWSA-N 2 2 348.447 1.697 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+]3CCOCC3)CC[C@@H]21 ZINC000827312690 594660348 /nfs/dbraw/zinc/66/03/48/594660348.db2.gz WFDGXRAEQHJAOH-HKUYNNGSSA-N 2 2 343.471 1.685 20 0 EDADLP C[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C[NH+]3CCOCC3)CC[C@@H]21 ZINC000827312690 594660349 /nfs/dbraw/zinc/66/03/49/594660349.db2.gz WFDGXRAEQHJAOH-HKUYNNGSSA-N 2 2 343.471 1.685 20 0 EDADLP Cn1ncc(CCCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)n1 ZINC000840817428 594818006 /nfs/dbraw/zinc/81/80/06/594818006.db2.gz HKFXOKDYUWRGRP-UHFFFAOYSA-N 2 2 335.375 1.384 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000841670803 594933250 /nfs/dbraw/zinc/93/32/50/594933250.db2.gz UXJYWBPOVCMNFV-INIZCTEOSA-N 2 2 345.447 1.817 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3CC(F)(F)CC3=O)CC2)CC1 ZINC000841682618 594936417 /nfs/dbraw/zinc/93/64/17/594936417.db2.gz OFMARKYARYETDK-UHFFFAOYSA-N 2 2 344.450 1.302 20 0 EDADLP F[C@@]1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC[NH2+]C1 ZINC000843206154 595035094 /nfs/dbraw/zinc/03/50/94/595035094.db2.gz VSZWGCCEOZGQDL-YOEHRIQHSA-N 2 2 332.379 1.801 20 0 EDADLP F[C@@]1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC[NH2+]C1 ZINC000843206154 595035098 /nfs/dbraw/zinc/03/50/98/595035098.db2.gz VSZWGCCEOZGQDL-YOEHRIQHSA-N 2 2 332.379 1.801 20 0 EDADLP Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000842292486 595068870 /nfs/dbraw/zinc/06/88/70/595068870.db2.gz XPSLROHGSBVZRP-SFYZADRCSA-N 2 2 325.214 1.808 20 0 EDADLP COc1ccc2cc(/C=C\C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc2c1 ZINC000843357583 595086647 /nfs/dbraw/zinc/08/66/47/595086647.db2.gz LDEDMCMAVWXABC-MSEQUDFZSA-N 2 2 339.439 1.963 20 0 EDADLP COc1ccc2cc(/C=C\C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc2c1 ZINC000843357583 595086651 /nfs/dbraw/zinc/08/66/51/595086651.db2.gz LDEDMCMAVWXABC-MSEQUDFZSA-N 2 2 339.439 1.963 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843382318 595095424 /nfs/dbraw/zinc/09/54/24/595095424.db2.gz MHEHWNJYORKTCH-KZULUSFZSA-N 2 2 343.431 1.671 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843382318 595095426 /nfs/dbraw/zinc/09/54/26/595095426.db2.gz MHEHWNJYORKTCH-KZULUSFZSA-N 2 2 343.431 1.671 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000843386883 595096304 /nfs/dbraw/zinc/09/63/04/595096304.db2.gz ANPXEILPFGHHEE-UHFFFAOYSA-N 2 2 332.448 1.432 20 0 EDADLP CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000843386883 595096308 /nfs/dbraw/zinc/09/63/08/595096308.db2.gz ANPXEILPFGHHEE-UHFFFAOYSA-N 2 2 332.448 1.432 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845938194 595100575 /nfs/dbraw/zinc/10/05/75/595100575.db2.gz PVNZCPXFRKKRPN-PCKAHOCUSA-N 2 2 341.496 1.990 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845938194 595100577 /nfs/dbraw/zinc/10/05/77/595100577.db2.gz PVNZCPXFRKKRPN-PCKAHOCUSA-N 2 2 341.496 1.990 20 0 EDADLP Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843047939 595273625 /nfs/dbraw/zinc/27/36/25/595273625.db2.gz CKJHXHIJEOQBTI-VIFPVBQESA-N 2 2 334.251 1.014 20 0 EDADLP Cn1c(Cl)nc(Cl)c1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843047939 595273628 /nfs/dbraw/zinc/27/36/28/595273628.db2.gz CKJHXHIJEOQBTI-VIFPVBQESA-N 2 2 334.251 1.014 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000843061946 595277165 /nfs/dbraw/zinc/27/71/65/595277165.db2.gz JPWPKICVPRTWDU-IUODEOHRSA-N 2 2 332.366 1.785 20 0 EDADLP COc1cccc([C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000843069118 595280044 /nfs/dbraw/zinc/28/00/44/595280044.db2.gz RQKGQQLJVWBNSA-UYAOXDASSA-N 2 2 344.455 1.811 20 0 EDADLP COc1cccc([C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000843069118 595280046 /nfs/dbraw/zinc/28/00/46/595280046.db2.gz RQKGQQLJVWBNSA-UYAOXDASSA-N 2 2 344.455 1.811 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000844167343 595289291 /nfs/dbraw/zinc/28/92/91/595289291.db2.gz DDFRGIVHZHQCRP-NVXWUHKLSA-N 2 2 346.406 1.533 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000844167789 595289448 /nfs/dbraw/zinc/28/94/48/595289448.db2.gz OWEUUGFNEPPMAS-SUMWQHHRSA-N 2 2 346.406 1.533 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2I)[C@H](C[NH3+])C1 ZINC000843120603 595291748 /nfs/dbraw/zinc/29/17/48/595291748.db2.gz RFULIBFZUFXASG-GFCCVEGCSA-N 2 2 345.228 1.366 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2I)[C@H](C[NH3+])C1 ZINC000843120603 595291749 /nfs/dbraw/zinc/29/17/49/595291749.db2.gz RFULIBFZUFXASG-GFCCVEGCSA-N 2 2 345.228 1.366 20 0 EDADLP Cc1cc([C@H]([NH3+])CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc(Cl)n1 ZINC000844178671 595293629 /nfs/dbraw/zinc/29/36/29/595293629.db2.gz GYABWRIGQHLKRE-TZMCWYRMSA-N 2 2 340.855 1.270 20 0 EDADLP Cc1cc([C@H]([NH3+])CC(=O)NCC[N@H+]2CCO[C@H](C)C2)cc(Cl)n1 ZINC000844178671 595293632 /nfs/dbraw/zinc/29/36/32/595293632.db2.gz GYABWRIGQHLKRE-TZMCWYRMSA-N 2 2 340.855 1.270 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844180969 595294136 /nfs/dbraw/zinc/29/41/36/595294136.db2.gz JTPFJLDVIOORMU-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000847009393 595350382 /nfs/dbraw/zinc/35/03/82/595350382.db2.gz QCZQQWWAVQOCHF-SJORKVTESA-N 2 2 326.868 1.936 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000847009393 595350384 /nfs/dbraw/zinc/35/03/84/595350384.db2.gz QCZQQWWAVQOCHF-SJORKVTESA-N 2 2 326.868 1.936 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000847009393 595350386 /nfs/dbraw/zinc/35/03/86/595350386.db2.gz QCZQQWWAVQOCHF-SJORKVTESA-N 2 2 326.868 1.936 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000847009393 595350388 /nfs/dbraw/zinc/35/03/88/595350388.db2.gz QCZQQWWAVQOCHF-SJORKVTESA-N 2 2 326.868 1.936 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)C1 ZINC000844901482 595410596 /nfs/dbraw/zinc/41/05/96/595410596.db2.gz FSGDSGRDHJAFEJ-RCCFBDPRSA-N 3 2 341.459 1.986 20 0 EDADLP C[NH+](C)CC[C@@H](N)c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000844915704 595413869 /nfs/dbraw/zinc/41/38/69/595413869.db2.gz UORJJAMNIDYILR-HZPDHXFCSA-N 2 2 345.447 1.595 20 0 EDADLP C[NH+](C)CC[C@@H](N)c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000844915704 595413870 /nfs/dbraw/zinc/41/38/70/595413870.db2.gz UORJJAMNIDYILR-HZPDHXFCSA-N 2 2 345.447 1.595 20 0 EDADLP C[C@H](CC(=O)OCC[NH+]1CCN(C(=O)C2CCC2)CC1)n1cc[nH+]c1 ZINC000845474159 595503827 /nfs/dbraw/zinc/50/38/27/595503827.db2.gz GTFPQUNDIBPSBH-OAHLLOKOSA-N 2 2 348.447 1.322 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852787194 595542673 /nfs/dbraw/zinc/54/26/73/595542673.db2.gz KDMWYLRTCNQKGO-INIZCTEOSA-N 2 2 330.432 1.067 20 0 EDADLP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)cn1 ZINC000849612554 595596844 /nfs/dbraw/zinc/59/68/44/595596844.db2.gz MNCSDSUCYFMBBM-LSDHHAIUSA-N 2 2 338.415 1.742 20 0 EDADLP Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2cccc3[nH+]ccn32)cn1 ZINC000849612554 595596847 /nfs/dbraw/zinc/59/68/47/595596847.db2.gz MNCSDSUCYFMBBM-LSDHHAIUSA-N 2 2 338.415 1.742 20 0 EDADLP CN(C(=O)c1ccc(N)cc1O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852913428 595611752 /nfs/dbraw/zinc/61/17/52/595611752.db2.gz UFIWVLCJPSIGDY-HNNXBMFYSA-N 2 2 332.448 1.215 20 0 EDADLP CN(C(=O)c1ccc(N)cc1O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852913428 595611753 /nfs/dbraw/zinc/61/17/53/595611753.db2.gz UFIWVLCJPSIGDY-HNNXBMFYSA-N 2 2 332.448 1.215 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(C(F)(F)F)c1 ZINC000855415180 595704480 /nfs/dbraw/zinc/70/44/80/595704480.db2.gz SUBDSGMZZJXBLV-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(C(F)(F)F)c1 ZINC000855415180 595704481 /nfs/dbraw/zinc/70/44/81/595704481.db2.gz SUBDSGMZZJXBLV-UHFFFAOYSA-N 2 2 332.370 1.714 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000851662632 595873610 /nfs/dbraw/zinc/87/36/10/595873610.db2.gz YJKUHDVGKVUJSO-HZPDHXFCSA-N 2 2 331.395 1.504 20 0 EDADLP c1[nH]nc([C@H]2CC[NH2+]C2)c1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000854135502 595986397 /nfs/dbraw/zinc/98/63/97/595986397.db2.gz HQASNKXLPJHKNA-NSHDSACASA-N 2 2 335.371 1.775 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn(C)cn3)C2)ccn1 ZINC000856584808 596022416 /nfs/dbraw/zinc/02/24/16/596022416.db2.gz RXIMBQOPCFYGLD-GOSISDBHSA-N 2 2 329.448 1.920 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn(C)cn3)C2)ccn1 ZINC000856584808 596022419 /nfs/dbraw/zinc/02/24/19/596022419.db2.gz RXIMBQOPCFYGLD-GOSISDBHSA-N 2 2 329.448 1.920 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cn(C)cn3)C2)ccn1 ZINC000856584808 596022424 /nfs/dbraw/zinc/02/24/24/596022424.db2.gz RXIMBQOPCFYGLD-GOSISDBHSA-N 2 2 329.448 1.920 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cn(C)cn3)C2)ccn1 ZINC000856584808 596022428 /nfs/dbraw/zinc/02/24/28/596022428.db2.gz RXIMBQOPCFYGLD-GOSISDBHSA-N 2 2 329.448 1.920 20 0 EDADLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H]3CCOC3=O)C2)ccn1 ZINC000856600256 596030179 /nfs/dbraw/zinc/03/01/79/596030179.db2.gz RYIVEFDAIZFSLS-IRXDYDNUSA-N 2 2 333.432 1.690 20 0 EDADLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H]3CCOC3=O)C2)ccn1 ZINC000856600256 596030182 /nfs/dbraw/zinc/03/01/82/596030182.db2.gz RYIVEFDAIZFSLS-IRXDYDNUSA-N 2 2 333.432 1.690 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H]3CCOC3=O)C2)ccn1 ZINC000856600256 596030185 /nfs/dbraw/zinc/03/01/85/596030185.db2.gz RYIVEFDAIZFSLS-IRXDYDNUSA-N 2 2 333.432 1.690 20 0 EDADLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H]3CCOC3=O)C2)ccn1 ZINC000856600256 596030188 /nfs/dbraw/zinc/03/01/88/596030188.db2.gz RYIVEFDAIZFSLS-IRXDYDNUSA-N 2 2 333.432 1.690 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n2c1CCCC2 ZINC000856769156 596077579 /nfs/dbraw/zinc/07/75/79/596077579.db2.gz IMGCLYIGNOTRNA-ZBFHGGJFSA-N 2 2 347.459 1.564 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)n2c1CCCC2 ZINC000856769156 596077584 /nfs/dbraw/zinc/07/75/84/596077584.db2.gz IMGCLYIGNOTRNA-ZBFHGGJFSA-N 2 2 347.459 1.564 20 0 EDADLP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Cl)n1 ZINC000856773780 596079181 /nfs/dbraw/zinc/07/91/81/596079181.db2.gz UCZSBZFMYVNDSH-HUUCEWRRSA-N 2 2 326.872 1.931 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815198 596091420 /nfs/dbraw/zinc/09/14/20/596091420.db2.gz IZDLKNUESPVHSD-MPGHIAIKSA-N 2 2 341.496 1.678 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815198 596091425 /nfs/dbraw/zinc/09/14/25/596091425.db2.gz IZDLKNUESPVHSD-MPGHIAIKSA-N 2 2 341.496 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815198 596091428 /nfs/dbraw/zinc/09/14/28/596091428.db2.gz IZDLKNUESPVHSD-MPGHIAIKSA-N 2 2 341.496 1.678 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815198 596091432 /nfs/dbraw/zinc/09/14/32/596091432.db2.gz IZDLKNUESPVHSD-MPGHIAIKSA-N 2 2 341.496 1.678 20 0 EDADLP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1cc2ccccc2o1 ZINC000852707996 596230745 /nfs/dbraw/zinc/23/07/45/596230745.db2.gz NTCTZQSUPSBHBF-IAGOWNOFSA-N 2 2 330.428 1.997 20 0 EDADLP O[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1cc2ccccc2o1 ZINC000852707996 596230747 /nfs/dbraw/zinc/23/07/47/596230747.db2.gz NTCTZQSUPSBHBF-IAGOWNOFSA-N 2 2 330.428 1.997 20 0 EDADLP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(F)c(F)c1 ZINC000852710599 596231387 /nfs/dbraw/zinc/23/13/87/596231387.db2.gz SKKIMZHQHICRTO-PBHICJAKSA-N 2 2 326.387 1.529 20 0 EDADLP O[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccc(F)c(F)c1 ZINC000852710599 596231389 /nfs/dbraw/zinc/23/13/89/596231389.db2.gz SKKIMZHQHICRTO-PBHICJAKSA-N 2 2 326.387 1.529 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCc3c[nH+]cn3C)C2)cc1 ZINC000868624824 596250617 /nfs/dbraw/zinc/25/06/17/596250617.db2.gz WLQVKGKBWRUINY-MRXNPFEDSA-N 2 2 327.432 1.802 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCc3c[nH+]cn3C)C2)cc1 ZINC000868624824 596250620 /nfs/dbraw/zinc/25/06/20/596250620.db2.gz WLQVKGKBWRUINY-MRXNPFEDSA-N 2 2 327.432 1.802 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000868734852 596289541 /nfs/dbraw/zinc/28/95/41/596289541.db2.gz ASGKTRVRYPJBRC-YOEHRIQHSA-N 2 2 328.416 1.424 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000868734852 596289542 /nfs/dbraw/zinc/28/95/42/596289542.db2.gz ASGKTRVRYPJBRC-YOEHRIQHSA-N 2 2 328.416 1.424 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nc1Cl ZINC000866711105 596304028 /nfs/dbraw/zinc/30/40/28/596304028.db2.gz BYVHHRRSLQTKDG-MJBXVCDLSA-N 2 2 336.823 1.410 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nc1Cl ZINC000866711105 596304032 /nfs/dbraw/zinc/30/40/32/596304032.db2.gz BYVHHRRSLQTKDG-MJBXVCDLSA-N 2 2 336.823 1.410 20 0 EDADLP CCOC1CC2(C[C@H]2C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000870665386 596314547 /nfs/dbraw/zinc/31/45/47/596314547.db2.gz RZWDSTCPULTDLD-WUJZJPHMSA-N 2 2 344.459 1.977 20 0 EDADLP Cc1cc(C)n(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC000870667250 596315512 /nfs/dbraw/zinc/31/55/12/596315512.db2.gz HPOCQLPISLVHSD-UHFFFAOYSA-N 2 2 342.447 1.676 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000866786391 596346212 /nfs/dbraw/zinc/34/62/12/596346212.db2.gz RXKHRKTZUPPLJU-CABCVRRESA-N 2 2 347.450 1.317 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000866786391 596346215 /nfs/dbraw/zinc/34/62/15/596346215.db2.gz RXKHRKTZUPPLJU-CABCVRRESA-N 2 2 347.450 1.317 20 0 EDADLP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000866786391 596346217 /nfs/dbraw/zinc/34/62/17/596346217.db2.gz RXKHRKTZUPPLJU-CABCVRRESA-N 2 2 347.450 1.317 20 0 EDADLP O=C(NCCCC[NH+]1CCC[C@H]1CO)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000866786391 596346219 /nfs/dbraw/zinc/34/62/19/596346219.db2.gz RXKHRKTZUPPLJU-CABCVRRESA-N 2 2 347.450 1.317 20 0 EDADLP O=C(CC[NH2+]CC1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000870856147 596378968 /nfs/dbraw/zinc/37/89/68/596378968.db2.gz UQHFJSHGBJSBAK-UHFFFAOYSA-N 2 2 331.460 1.525 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000864847268 596386233 /nfs/dbraw/zinc/38/62/33/596386233.db2.gz ODCDABJBDGAZET-SQUITACLSA-N 2 2 343.471 1.656 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000864847268 596386236 /nfs/dbraw/zinc/38/62/36/596386236.db2.gz ODCDABJBDGAZET-SQUITACLSA-N 2 2 343.471 1.656 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000870911063 596400585 /nfs/dbraw/zinc/40/05/85/596400585.db2.gz QNUDXCQBHJGJBW-NKRRSDRKSA-N 2 2 335.398 1.954 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000870911063 596400590 /nfs/dbraw/zinc/40/05/90/596400590.db2.gz QNUDXCQBHJGJBW-NKRRSDRKSA-N 2 2 335.398 1.954 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)[C@H](Cc2ccccc2)C1 ZINC000869149403 596424599 /nfs/dbraw/zinc/42/45/99/596424599.db2.gz OMIRQTKJYJMSLV-NVAPOSRTSA-N 2 2 343.471 1.260 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\C[NH+]2CCOCC2)[C@H](Cc2ccccc2)C1 ZINC000869149403 596424601 /nfs/dbraw/zinc/42/46/01/596424601.db2.gz OMIRQTKJYJMSLV-NVAPOSRTSA-N 2 2 343.471 1.260 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000870979552 596426816 /nfs/dbraw/zinc/42/68/16/596426816.db2.gz OORUEAYQYSRBHZ-ZWKOTPCHSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)C[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000870979552 596426819 /nfs/dbraw/zinc/42/68/19/596426819.db2.gz OORUEAYQYSRBHZ-ZWKOTPCHSA-N 2 2 331.460 1.312 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cn1 ZINC000864984758 596435241 /nfs/dbraw/zinc/43/52/41/596435241.db2.gz AZCLVFGMRXGNIA-HNNXBMFYSA-N 2 2 332.452 1.486 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(-n2cccc2)c1 ZINC000869244533 596460118 /nfs/dbraw/zinc/46/01/18/596460118.db2.gz VVDGDBZYESCWLF-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(-n2cccc2)c1 ZINC000869244533 596460120 /nfs/dbraw/zinc/46/01/20/596460120.db2.gz VVDGDBZYESCWLF-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000869299916 596478849 /nfs/dbraw/zinc/47/88/49/596478849.db2.gz YOFSCYRUYOOZND-INIZCTEOSA-N 2 2 346.406 1.074 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000869299916 596478851 /nfs/dbraw/zinc/47/88/51/596478851.db2.gz YOFSCYRUYOOZND-INIZCTEOSA-N 2 2 346.406 1.074 20 0 EDADLP CCOc1cc(F)cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000865455937 596581167 /nfs/dbraw/zinc/58/11/67/596581167.db2.gz PKQNIEBRURIXIO-UHFFFAOYSA-N 2 2 337.439 1.867 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865509486 596594235 /nfs/dbraw/zinc/59/42/35/596594235.db2.gz MFJIZJGEAAXBGP-MRXNPFEDSA-N 2 2 339.440 1.226 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000863570830 596621988 /nfs/dbraw/zinc/62/19/88/596621988.db2.gz LBQPKXSZXXAZBL-GJZGRUSLSA-N 2 2 343.830 1.442 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000863570830 596621991 /nfs/dbraw/zinc/62/19/91/596621991.db2.gz LBQPKXSZXXAZBL-GJZGRUSLSA-N 2 2 343.830 1.442 20 0 EDADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000863652649 596644525 /nfs/dbraw/zinc/64/45/25/596644525.db2.gz VMRAMJDIFLKWMV-CQSZACIVSA-N 2 2 341.883 1.830 20 0 EDADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000863652649 596644527 /nfs/dbraw/zinc/64/45/27/596644527.db2.gz VMRAMJDIFLKWMV-CQSZACIVSA-N 2 2 341.883 1.830 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1[nH+]ccn1CC(F)F)C2=O ZINC000871676221 596668266 /nfs/dbraw/zinc/66/82/66/596668266.db2.gz RNDKGJOMULAKOG-BMIGLBTASA-N 2 2 341.362 1.088 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865768707 596675071 /nfs/dbraw/zinc/67/50/71/596675071.db2.gz AAAWNRIXJUYWFA-HHXXYDBFSA-N 2 2 345.443 1.318 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000865768707 596675073 /nfs/dbraw/zinc/67/50/73/596675073.db2.gz AAAWNRIXJUYWFA-HHXXYDBFSA-N 2 2 345.443 1.318 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000865818184 596696293 /nfs/dbraw/zinc/69/62/93/596696293.db2.gz OREUOHVJEBLIPI-HIFRSBDPSA-N 2 2 337.489 1.352 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000865818184 596696294 /nfs/dbraw/zinc/69/62/94/596696294.db2.gz OREUOHVJEBLIPI-HIFRSBDPSA-N 2 2 337.489 1.352 20 0 EDADLP C[NH+](C)C[C@H](N)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000871783554 596699804 /nfs/dbraw/zinc/69/98/04/596699804.db2.gz YAJPUFHNXRGMPS-HNNXBMFYSA-N 2 2 331.420 1.130 20 0 EDADLP Cc1cc(C)c(CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c[nH+]1 ZINC000868242812 596742559 /nfs/dbraw/zinc/74/25/59/596742559.db2.gz BKRSQBBKQAUVPO-DLBZAZTESA-N 2 2 338.411 1.768 20 0 EDADLP C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1)[NH+]1CCSCC1 ZINC000870085608 596742799 /nfs/dbraw/zinc/74/27/99/596742799.db2.gz NYTFJYUMDLRTIJ-BBRMVZONSA-N 2 2 335.473 1.302 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)Cc2ccc[nH+]c21 ZINC000868283310 596764042 /nfs/dbraw/zinc/76/40/42/596764042.db2.gz UZQMGCWBFNJKFY-MRXNPFEDSA-N 2 2 329.448 1.527 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)Cc2ccc[nH+]c21 ZINC000868283310 596764047 /nfs/dbraw/zinc/76/40/47/596764047.db2.gz UZQMGCWBFNJKFY-MRXNPFEDSA-N 2 2 329.448 1.527 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNc2nc(C)[nH+]c(N)n2)C1 ZINC000866142029 596802028 /nfs/dbraw/zinc/80/20/28/596802028.db2.gz XYARCDZLSHFANG-OAHLLOKOSA-N 2 2 328.420 1.384 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNc2nc(C)[nH+]c(N)n2)C1 ZINC000866142029 596802030 /nfs/dbraw/zinc/80/20/30/596802030.db2.gz XYARCDZLSHFANG-OAHLLOKOSA-N 2 2 328.420 1.384 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C)c3[nH+]cccc3C2)C1 ZINC000868366286 596805051 /nfs/dbraw/zinc/80/50/51/596805051.db2.gz PIKUOHTYZRSGMA-HNNXBMFYSA-N 2 2 331.464 1.775 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C)c3[nH+]cccc3C2)C1 ZINC000868366286 596805054 /nfs/dbraw/zinc/80/50/54/596805054.db2.gz PIKUOHTYZRSGMA-HNNXBMFYSA-N 2 2 331.464 1.775 20 0 EDADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866200117 596825346 /nfs/dbraw/zinc/82/53/46/596825346.db2.gz HJVCMSCQNMLENT-WBVHZDCISA-N 2 2 328.416 1.424 20 0 EDADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866200117 596825349 /nfs/dbraw/zinc/82/53/49/596825349.db2.gz HJVCMSCQNMLENT-WBVHZDCISA-N 2 2 328.416 1.424 20 0 EDADLP CC(C)(O)C[C@@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000872201443 596833190 /nfs/dbraw/zinc/83/31/90/596833190.db2.gz AEWTVKZQNDGWGC-OAHLLOKOSA-N 2 2 330.538 1.850 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866414760 596881020 /nfs/dbraw/zinc/88/10/20/596881020.db2.gz SUFGUCFZXBUJKU-NZSAHSFTSA-N 2 2 346.519 1.727 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866414760 596881022 /nfs/dbraw/zinc/88/10/22/596881022.db2.gz SUFGUCFZXBUJKU-NZSAHSFTSA-N 2 2 346.519 1.727 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866414760 596881024 /nfs/dbraw/zinc/88/10/24/596881024.db2.gz SUFGUCFZXBUJKU-NZSAHSFTSA-N 2 2 346.519 1.727 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866414760 596881025 /nfs/dbraw/zinc/88/10/25/596881025.db2.gz SUFGUCFZXBUJKU-NZSAHSFTSA-N 2 2 346.519 1.727 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)NC[C@H](C)[NH+](C)C)Cc3ccc[nH+]c3N2C1 ZINC000875644001 596931619 /nfs/dbraw/zinc/93/16/19/596931619.db2.gz APAUOOYSRKSZIW-CWRNSKLLSA-N 2 2 347.463 1.151 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cn3c4ccccc4oc3=O)CC2)CC1 ZINC000872732198 597050227 /nfs/dbraw/zinc/05/02/27/597050227.db2.gz NYQJYVMOPYPURX-UHFFFAOYSA-N 2 2 330.432 1.264 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000872779346 597064338 /nfs/dbraw/zinc/06/43/38/597064338.db2.gz FYWKDKUYUFXMKP-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000872779346 597064340 /nfs/dbraw/zinc/06/43/40/597064340.db2.gz FYWKDKUYUFXMKP-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000874705269 597149619 /nfs/dbraw/zinc/14/96/19/597149619.db2.gz BTVLEGXCTNYHGF-MSOLQXFVSA-N 2 2 333.476 1.906 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000874705269 597149623 /nfs/dbraw/zinc/14/96/23/597149623.db2.gz BTVLEGXCTNYHGF-MSOLQXFVSA-N 2 2 333.476 1.906 20 0 EDADLP Cc1ccccc1CN1CCO[C@H](C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000873248285 597239605 /nfs/dbraw/zinc/23/96/05/597239605.db2.gz CNYALQWYTSGIEP-YSIASYRMSA-N 2 2 347.503 1.552 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000875169611 597312555 /nfs/dbraw/zinc/31/25/55/597312555.db2.gz RMNIRWVUIXXVMN-SFHVURJKSA-N 2 2 333.476 1.340 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000875169611 597312560 /nfs/dbraw/zinc/31/25/60/597312560.db2.gz RMNIRWVUIXXVMN-SFHVURJKSA-N 2 2 333.476 1.340 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000875190145 597320992 /nfs/dbraw/zinc/32/09/92/597320992.db2.gz ZZKZMWLBOQZPAK-CQSZACIVSA-N 2 2 342.447 1.884 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@]3(C)C[NH2+]CCO3)CC2)cc1 ZINC000876785229 597339573 /nfs/dbraw/zinc/33/95/73/597339573.db2.gz RFEPGHHHBAXDOL-LJQANCHMSA-N 2 2 346.475 1.216 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875229153 597343025 /nfs/dbraw/zinc/34/30/25/597343025.db2.gz SPVDFQNFTUDTNG-UHFFFAOYSA-N 2 2 325.416 1.448 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876886539 597369754 /nfs/dbraw/zinc/36/97/54/597369754.db2.gz YUKDKJVDVHWQFE-QZDDGCDVSA-N 2 2 330.432 1.721 20 0 EDADLP COC(=O)c1[nH]c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000877031733 597417601 /nfs/dbraw/zinc/41/76/01/597417601.db2.gz UQRSCMCPRJIRQQ-MRXNPFEDSA-N 2 2 335.448 1.843 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000877432218 597514638 /nfs/dbraw/zinc/51/46/38/597514638.db2.gz BIBPYSGQTJXRAJ-SFHVURJKSA-N 2 2 331.460 1.215 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000877432218 597514639 /nfs/dbraw/zinc/51/46/39/597514639.db2.gz BIBPYSGQTJXRAJ-SFHVURJKSA-N 2 2 331.460 1.215 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000877434040 597514906 /nfs/dbraw/zinc/51/49/06/597514906.db2.gz MIBWXSQEPZMHDJ-HKUYNNGSSA-N 2 2 331.460 1.145 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000877434040 597514908 /nfs/dbraw/zinc/51/49/08/597514908.db2.gz MIBWXSQEPZMHDJ-HKUYNNGSSA-N 2 2 331.460 1.145 20 0 EDADLP OC[C@@]12C[C@@H]1C[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000877461215 597519544 /nfs/dbraw/zinc/51/95/44/597519544.db2.gz BGKCBNUUEUJGEC-MJGOQNOKSA-N 2 2 332.444 1.212 20 0 EDADLP OC[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000877461215 597519545 /nfs/dbraw/zinc/51/95/45/597519545.db2.gz BGKCBNUUEUJGEC-MJGOQNOKSA-N 2 2 332.444 1.212 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744587 597552275 /nfs/dbraw/zinc/55/22/75/597552275.db2.gz VSSYPZBAMXHNAU-DOTOQJQBSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877744587 597552276 /nfs/dbraw/zinc/55/22/76/597552276.db2.gz VSSYPZBAMXHNAU-DOTOQJQBSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877744587 597552277 /nfs/dbraw/zinc/55/22/77/597552277.db2.gz VSSYPZBAMXHNAU-DOTOQJQBSA-N 2 2 333.480 1.091 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877744587 597552278 /nfs/dbraw/zinc/55/22/78/597552278.db2.gz VSSYPZBAMXHNAU-DOTOQJQBSA-N 2 2 333.480 1.091 20 0 EDADLP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)CC1(O)CCCCC1 ZINC000878552309 597632989 /nfs/dbraw/zinc/63/29/89/597632989.db2.gz NKQVUCPVHUBBAX-QZTJIDSGSA-N 2 2 340.508 1.619 20 0 EDADLP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)CC1(O)CCCCC1 ZINC000878552309 597632990 /nfs/dbraw/zinc/63/29/90/597632990.db2.gz NKQVUCPVHUBBAX-QZTJIDSGSA-N 2 2 340.508 1.619 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)CC1 ZINC000879592667 597649182 /nfs/dbraw/zinc/64/91/82/597649182.db2.gz NAYAZXOWHPERHU-KRWDZBQOSA-N 2 2 339.430 1.710 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](CC[S@](=O)c3ccccc3)CC2)CC1 ZINC000879592957 597649366 /nfs/dbraw/zinc/64/93/66/597649366.db2.gz RNIUUDHDCDNGRK-QHCPKHFHSA-N 2 2 335.517 1.506 20 0 EDADLP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000883171394 597676086 /nfs/dbraw/zinc/67/60/86/597676086.db2.gz XFOKVEIKLWVMLW-ZCNNSNEGSA-N 2 2 348.487 1.437 20 0 EDADLP COC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000883171394 597676088 /nfs/dbraw/zinc/67/60/88/597676088.db2.gz XFOKVEIKLWVMLW-ZCNNSNEGSA-N 2 2 348.487 1.437 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883630957 597838041 /nfs/dbraw/zinc/83/80/41/597838041.db2.gz IEZCQZKPMZSTET-CVEARBPZSA-N 2 2 347.463 1.141 20 0 EDADLP CN(C(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C1(C[NH3+])CCCCC1 ZINC000883652946 597848242 /nfs/dbraw/zinc/84/82/42/597848242.db2.gz HQRPTMHUYYDMMZ-UHFFFAOYSA-N 2 2 347.463 1.236 20 0 EDADLP CO[C@@H]1CC[C@H](C)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000879322352 597886518 /nfs/dbraw/zinc/88/65/18/597886518.db2.gz VLMVMFRMLYKSEJ-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP CO[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000879322352 597886520 /nfs/dbraw/zinc/88/65/20/597886520.db2.gz VLMVMFRMLYKSEJ-DLBZAZTESA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000880263505 597886897 /nfs/dbraw/zinc/88/68/97/597886897.db2.gz YQQGKHBYBITTKE-CRAIPNDOSA-N 2 2 344.459 1.372 20 0 EDADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CCN1c1cc[nH+]cc1 ZINC000880263505 597886899 /nfs/dbraw/zinc/88/68/99/597886899.db2.gz YQQGKHBYBITTKE-CRAIPNDOSA-N 2 2 344.459 1.372 20 0 EDADLP Cc1nc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(C)c(C)[nH+]1 ZINC000882815791 598069197 /nfs/dbraw/zinc/06/91/97/598069197.db2.gz QCOKKPTVPOQATN-UHFFFAOYSA-N 2 2 331.464 1.712 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c[nH+]1 ZINC000884382039 598087087 /nfs/dbraw/zinc/08/70/87/598087087.db2.gz YRQCOFIEQADEAR-JYJNAYRXSA-N 2 2 334.464 1.672 20 0 EDADLP CC1([NH+]2CCC2)CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000882963612 598119010 /nfs/dbraw/zinc/11/90/10/598119010.db2.gz DNNBFDYAHYBEQK-INIZCTEOSA-N 2 2 345.491 1.892 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C)oc1C ZINC000948057696 695108222 /nfs/dbraw/zinc/10/82/22/695108222.db2.gz XXNIXFFUXDTVJX-BBRMVZONSA-N 2 2 334.464 1.856 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C)oc1C ZINC000948057696 695108223 /nfs/dbraw/zinc/10/82/23/695108223.db2.gz XXNIXFFUXDTVJX-BBRMVZONSA-N 2 2 334.464 1.856 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC001031034598 695241053 /nfs/dbraw/zinc/24/10/53/695241053.db2.gz WVNKVPAKSVMCHE-LSDHHAIUSA-N 2 2 334.464 1.622 20 0 EDADLP C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000925406400 695330361 /nfs/dbraw/zinc/33/03/61/695330361.db2.gz SINYLVPXWNNPTK-KRWDZBQOSA-N 2 2 332.448 1.387 20 0 EDADLP COCc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cc1 ZINC000939856619 699995578 /nfs/dbraw/zinc/99/55/78/699995578.db2.gz PARKBFKPZHWWDZ-YJBOKZPZSA-N 2 2 342.443 1.666 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1nccn1C(F)F ZINC000939858351 699997451 /nfs/dbraw/zinc/99/74/51/699997451.db2.gz YKQSKZDQMHBVDC-RYUDHWBXSA-N 2 2 338.362 1.111 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nncs3)[C@@H]2C1 ZINC000992829201 695389018 /nfs/dbraw/zinc/38/90/18/695389018.db2.gz DMZSGBAPPAABLC-IACUBPJLSA-N 2 2 346.460 1.221 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)o1 ZINC000992828355 695390796 /nfs/dbraw/zinc/39/07/96/695390796.db2.gz CBAGPKVOVTXABR-FVQBIDKESA-N 2 2 343.431 1.666 20 0 EDADLP Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC000992863127 695411222 /nfs/dbraw/zinc/41/12/22/695411222.db2.gz QDRGPBGPLRBYNW-SOUVJXGZSA-N 2 2 342.447 1.103 20 0 EDADLP Cc1nocc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC000992859174 695418175 /nfs/dbraw/zinc/41/81/75/695418175.db2.gz MKAKVGNTAXUZAB-FVQBIDKESA-N 2 2 343.431 1.666 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000939855727 699994083 /nfs/dbraw/zinc/99/40/83/699994083.db2.gz GUSTWTASLKEDNW-WBVHZDCISA-N 2 2 341.459 1.586 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccns3)[C@H]2C1 ZINC000992908944 695445528 /nfs/dbraw/zinc/44/55/28/695445528.db2.gz BEJNEUZYXJQKTJ-BPUTZDHNSA-N 2 2 345.472 1.757 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cncs3)[C@H]2C1 ZINC000992920204 695454457 /nfs/dbraw/zinc/45/44/57/695454457.db2.gz BYYSYQWDLGBZEP-CWRNSKLLSA-N 2 2 345.472 1.757 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nccs3)[C@H]2C1 ZINC000992927260 695458162 /nfs/dbraw/zinc/45/81/62/695458162.db2.gz WXAGSPLJOISGPQ-SOUVJXGZSA-N 2 2 345.472 1.757 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NC2C[NH+](CCc3cccs3)C2)cn1 ZINC001031085498 695492740 /nfs/dbraw/zinc/49/27/40/695492740.db2.gz QJJRVTSUFYSTPT-UHFFFAOYSA-N 2 2 347.488 1.163 20 0 EDADLP C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001031104387 695527748 /nfs/dbraw/zinc/52/77/48/695527748.db2.gz QTOXQJVGNSFQAF-KSSFIOAISA-N 2 2 331.460 1.730 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001015608775 695785782 /nfs/dbraw/zinc/78/57/82/695785782.db2.gz UMAFBAIBVUPWQL-STQMWFEESA-N 2 2 337.386 1.239 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001015608775 695785784 /nfs/dbraw/zinc/78/57/84/695785784.db2.gz UMAFBAIBVUPWQL-STQMWFEESA-N 2 2 337.386 1.239 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCC(F)(F)F)C2)C1 ZINC001015608775 695785786 /nfs/dbraw/zinc/78/57/86/695785786.db2.gz UMAFBAIBVUPWQL-STQMWFEESA-N 2 2 337.386 1.239 20 0 EDADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCC(F)(F)F)C2)C1 ZINC001015608775 695785787 /nfs/dbraw/zinc/78/57/87/695785787.db2.gz UMAFBAIBVUPWQL-STQMWFEESA-N 2 2 337.386 1.239 20 0 EDADLP O=C(NC1C[NH+](CCc2ccc(Cl)cc2)C1)C12CC[NH+](CC1)C2 ZINC001031265420 696080436 /nfs/dbraw/zinc/08/04/36/696080436.db2.gz FMTTYHYWJSFQIO-UHFFFAOYSA-N 2 2 333.863 1.779 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CCC[N@@H+]1CCCF ZINC000993520682 696201660 /nfs/dbraw/zinc/20/16/60/696201660.db2.gz MDBXVESCFFYJBM-TZMCWYRMSA-N 2 2 326.416 1.679 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CCC[N@H+]1CCCF ZINC000993520682 696201662 /nfs/dbraw/zinc/20/16/62/696201662.db2.gz MDBXVESCFFYJBM-TZMCWYRMSA-N 2 2 326.416 1.679 20 0 EDADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993807377 696382615 /nfs/dbraw/zinc/38/26/15/696382615.db2.gz SFAGEWLIVKOERL-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993807377 696382617 /nfs/dbraw/zinc/38/26/17/696382617.db2.gz SFAGEWLIVKOERL-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cnn(C)c1 ZINC000993807377 696382619 /nfs/dbraw/zinc/38/26/19/696382619.db2.gz SFAGEWLIVKOERL-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H]1[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cnn(C)c1 ZINC000993807377 696382621 /nfs/dbraw/zinc/38/26/21/696382621.db2.gz SFAGEWLIVKOERL-DOTOQJQBSA-N 2 2 347.507 1.621 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000993815777 696388052 /nfs/dbraw/zinc/38/80/52/696388052.db2.gz JEQHVGWLAKVFEV-GOEBONIOSA-N 2 2 347.463 1.036 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000993815777 696388054 /nfs/dbraw/zinc/38/80/54/696388054.db2.gz JEQHVGWLAKVFEV-GOEBONIOSA-N 2 2 347.463 1.036 20 0 EDADLP Cc1nocc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994424179 696846229 /nfs/dbraw/zinc/84/62/29/696846229.db2.gz QCJMXXDAKKWAKL-CZUORRHYSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1nocc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994424179 696846233 /nfs/dbraw/zinc/84/62/33/696846233.db2.gz QCJMXXDAKKWAKL-CZUORRHYSA-N 2 2 331.420 1.657 20 0 EDADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994462115 696896339 /nfs/dbraw/zinc/89/63/39/696896339.db2.gz KJLXGNLMCCOTDE-PBHICJAKSA-N 2 2 346.475 1.077 20 0 EDADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994462115 696896341 /nfs/dbraw/zinc/89/63/41/696896341.db2.gz KJLXGNLMCCOTDE-PBHICJAKSA-N 2 2 346.475 1.077 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)o1 ZINC000994507653 696945902 /nfs/dbraw/zinc/94/59/02/696945902.db2.gz OEXIVBMNQASVHD-GJZGRUSLSA-N 2 2 345.447 1.911 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H]2C)o1 ZINC000994507653 696945905 /nfs/dbraw/zinc/94/59/05/696945905.db2.gz OEXIVBMNQASVHD-GJZGRUSLSA-N 2 2 345.447 1.911 20 0 EDADLP Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994505073 696947881 /nfs/dbraw/zinc/94/78/81/696947881.db2.gz IGNIPQPSUUVCBA-DOTOQJQBSA-N 2 2 327.432 1.756 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994505073 696947883 /nfs/dbraw/zinc/94/78/83/696947883.db2.gz IGNIPQPSUUVCBA-DOTOQJQBSA-N 2 2 327.432 1.756 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCOc1ccccc1 ZINC000994505730 696948958 /nfs/dbraw/zinc/94/89/58/696948958.db2.gz KIMRVYFWTCLBIW-SJLPKXTDSA-N 2 2 342.443 1.931 20 0 EDADLP CCc1ccc(CC[NH+]2CC(NC(=O)Cn3cc[nH+]c3C)C2)cc1 ZINC001031390712 697015065 /nfs/dbraw/zinc/01/50/65/697015065.db2.gz VBEQHANQZHPOLA-UHFFFAOYSA-N 2 2 326.444 1.797 20 0 EDADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000925445450 697109212 /nfs/dbraw/zinc/10/92/12/697109212.db2.gz KJUPUBVZHPLFJZ-ZACQAIPSSA-N 2 2 337.508 1.724 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC001031666840 697451716 /nfs/dbraw/zinc/45/17/16/697451716.db2.gz SAHYAAMZQQBVRE-KRWDZBQOSA-N 2 2 331.464 1.206 20 0 EDADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001031666840 697451718 /nfs/dbraw/zinc/45/17/18/697451718.db2.gz SAHYAAMZQQBVRE-KRWDZBQOSA-N 2 2 331.464 1.206 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cc(F)ccc3F)C2)CC[N@@H+]1C ZINC001031680931 697500945 /nfs/dbraw/zinc/50/09/45/697500945.db2.gz AETCWHHNOTZZDE-MLGOLLRUSA-N 2 2 337.414 1.853 20 0 EDADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cc(F)ccc3F)C2)CC[N@H+]1C ZINC001031680931 697500947 /nfs/dbraw/zinc/50/09/47/697500947.db2.gz AETCWHHNOTZZDE-MLGOLLRUSA-N 2 2 337.414 1.853 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3snnc3C)C2)CC[N@@H+]1C ZINC001031686185 697516567 /nfs/dbraw/zinc/51/65/67/697516567.db2.gz LVDDQMABFBYTOK-UONOGXRCSA-N 2 2 337.493 1.125 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3snnc3C)C2)CC[N@H+]1C ZINC001031686185 697516569 /nfs/dbraw/zinc/51/65/69/697516569.db2.gz LVDDQMABFBYTOK-UONOGXRCSA-N 2 2 337.493 1.125 20 0 EDADLP C[C@H](CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)n1cc[nH+]c1 ZINC000938464145 698087823 /nfs/dbraw/zinc/08/78/23/698087823.db2.gz RHLBDAWIWKJNAQ-PMPSAXMXSA-N 2 2 347.463 1.036 20 0 EDADLP C[C@H](CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1)n1cc[nH+]c1 ZINC000938464145 698087825 /nfs/dbraw/zinc/08/78/25/698087825.db2.gz RHLBDAWIWKJNAQ-PMPSAXMXSA-N 2 2 347.463 1.036 20 0 EDADLP CC[C@H](C[NH+]1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1)OC ZINC001032098365 698699278 /nfs/dbraw/zinc/69/92/78/698699278.db2.gz PEBQXCGUPUPSHK-GOSISDBHSA-N 2 2 342.443 1.959 20 0 EDADLP C[C@@H]1C[N@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766358 698817593 /nfs/dbraw/zinc/81/75/93/698817593.db2.gz HRPKSJOTXKSGHZ-GDBMZVCRSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@@H]1C[N@@H+](CCC2CCOCC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943766358 698817595 /nfs/dbraw/zinc/81/75/95/698817595.db2.gz HRPKSJOTXKSGHZ-GDBMZVCRSA-N 2 2 334.464 1.596 20 0 EDADLP Cc1noc(CCC[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC000943767341 698868452 /nfs/dbraw/zinc/86/84/52/698868452.db2.gz VJEWXHCZMOPCSM-OCCSQVGLSA-N 2 2 346.435 1.103 20 0 EDADLP Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)n1 ZINC000943767341 698868458 /nfs/dbraw/zinc/86/84/58/698868458.db2.gz VJEWXHCZMOPCSM-OCCSQVGLSA-N 2 2 346.435 1.103 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943877500 698983636 /nfs/dbraw/zinc/98/36/36/698983636.db2.gz NXKAGOOMEMZYHY-QAPCUYQASA-N 2 2 342.443 1.959 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000943877500 698983640 /nfs/dbraw/zinc/98/36/40/698983640.db2.gz NXKAGOOMEMZYHY-QAPCUYQASA-N 2 2 342.443 1.959 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001031777185 699162415 /nfs/dbraw/zinc/16/24/15/699162415.db2.gz YAQFTLBIYATRGS-YOEHRIQHSA-N 2 2 331.464 1.378 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC001031777185 699162417 /nfs/dbraw/zinc/16/24/17/699162417.db2.gz YAQFTLBIYATRGS-YOEHRIQHSA-N 2 2 331.464 1.378 20 0 EDADLP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031778591 699178038 /nfs/dbraw/zinc/17/80/38/699178038.db2.gz QFPDKUJNBORIOZ-WMZOPIPTSA-N 2 2 346.475 1.453 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCCCO2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031779500 699183184 /nfs/dbraw/zinc/18/31/84/699183184.db2.gz SNJFPHOSXFUVFS-NVXWUHKLSA-N 2 2 332.448 1.063 20 0 EDADLP CCOC1CC(C[NH+]2CC(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001031783510 699210369 /nfs/dbraw/zinc/21/03/69/699210369.db2.gz XROYYWFLERBTDH-ARWYELJZSA-N 2 2 346.475 1.309 20 0 EDADLP CCc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cs1 ZINC000939533773 699671878 /nfs/dbraw/zinc/67/18/78/699671878.db2.gz FFGUVKJWTPOUHG-IUODEOHRSA-N 2 2 347.488 1.618 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939534845 699675974 /nfs/dbraw/zinc/67/59/74/699675974.db2.gz NAZYHKBRVSFQFU-ABAIWWIYSA-N 2 2 345.447 1.929 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC000939621987 699758646 /nfs/dbraw/zinc/75/86/46/699758646.db2.gz HFMUVFXVLLBWSD-DYVFJYSZSA-N 2 2 327.432 1.601 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC000939622004 699758790 /nfs/dbraw/zinc/75/87/90/699758790.db2.gz HKMRUQLNUSRQBD-MLGOLLRUSA-N 2 2 345.451 1.070 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)cn1 ZINC000939640857 699770084 /nfs/dbraw/zinc/77/00/84/699770084.db2.gz AACATZYIRBZVHI-GUYCJALGSA-N 2 2 342.447 1.088 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939643832 699784242 /nfs/dbraw/zinc/78/42/42/699784242.db2.gz XCDQMZOXLAIGRR-SUMWQHHRSA-N 2 2 345.422 1.524 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)s1 ZINC000939753552 699903053 /nfs/dbraw/zinc/90/30/53/699903053.db2.gz GUEOPIOFRNQWCP-WCQYABFASA-N 2 2 348.476 1.242 20 0 EDADLP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940145563 700276183 /nfs/dbraw/zinc/27/61/83/700276183.db2.gz ZITFCBXFJBNJKR-UHFFFAOYSA-N 2 2 348.476 1.673 20 0 EDADLP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940145563 700276186 /nfs/dbraw/zinc/27/61/86/700276186.db2.gz ZITFCBXFJBNJKR-UHFFFAOYSA-N 2 2 348.476 1.673 20 0 EDADLP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)oc1C ZINC000995166901 701632484 /nfs/dbraw/zinc/63/24/84/701632484.db2.gz ILKKBXAHPCIUPP-HUUCEWRRSA-N 2 2 345.447 1.642 20 0 EDADLP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243288 700404246 /nfs/dbraw/zinc/40/42/46/700404246.db2.gz KQVMVZLZLRJWQM-UHFFFAOYSA-N 2 2 331.420 1.741 20 0 EDADLP CCc1nnc(C[N@@H+]2CCC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)o1 ZINC000948244728 700456146 /nfs/dbraw/zinc/45/61/46/700456146.db2.gz JBBXQDIVRQHHEQ-CABCVRRESA-N 2 2 349.479 1.539 20 0 EDADLP CCc1nnc(C[N@H+]2CCC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)CC2)o1 ZINC000948244728 700456148 /nfs/dbraw/zinc/45/61/48/700456148.db2.gz JBBXQDIVRQHHEQ-CABCVRRESA-N 2 2 349.479 1.539 20 0 EDADLP CCc1nnc(C[NH+]2CCC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000948244728 700456152 /nfs/dbraw/zinc/45/61/52/700456152.db2.gz JBBXQDIVRQHHEQ-CABCVRRESA-N 2 2 349.479 1.539 20 0 EDADLP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000940322954 700499619 /nfs/dbraw/zinc/49/96/19/700499619.db2.gz YDLQNIUQYNWTIX-ZDUSSCGKSA-N 2 2 344.419 1.384 20 0 EDADLP C[C@H](CC(=O)N1CCC(C)([NH2+]Cc2cnsn2)CC1)n1cc[nH+]c1 ZINC000940357072 700518923 /nfs/dbraw/zinc/51/89/23/700518923.db2.gz BENXXBAFSGTNME-CYBMUJFWSA-N 2 2 348.476 1.857 20 0 EDADLP CC1([NH2+]C[C@H]2C[C@@]23CCOC3)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940354107 700537570 /nfs/dbraw/zinc/53/75/70/700537570.db2.gz WPXUQXMMPPNRRS-RDTXWAMCSA-N 2 2 332.448 1.350 20 0 EDADLP CC(C)(C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1)c1c[nH+]c[nH]1 ZINC000940426109 700619703 /nfs/dbraw/zinc/61/97/03/700619703.db2.gz FXCMLHTYSJNODW-AWEZNQCLSA-N 2 2 334.464 1.695 20 0 EDADLP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000940441538 700642866 /nfs/dbraw/zinc/64/28/66/700642866.db2.gz MDMODSHIKLWXOC-UHFFFAOYSA-N 2 2 348.476 1.591 20 0 EDADLP CC1([NH2+]Cc2ncc(C3CC3)o2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482706 700670746 /nfs/dbraw/zinc/67/07/46/700670746.db2.gz MUEVPVGNHDPEPV-UHFFFAOYSA-N 2 2 343.431 1.919 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)O)CC2(C)C)c[nH+]1 ZINC000940836303 700934148 /nfs/dbraw/zinc/93/41/48/700934148.db2.gz IMIUROXOSRDQMC-CABCVRRESA-N 2 2 336.480 1.524 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](C[C@@H](C)O)CC2(C)C)c[nH+]1 ZINC000940836303 700934150 /nfs/dbraw/zinc/93/41/50/700934150.db2.gz IMIUROXOSRDQMC-CABCVRRESA-N 2 2 336.480 1.524 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC000995107893 700972364 /nfs/dbraw/zinc/97/23/64/700972364.db2.gz SLMWXHMEIJKSLC-UONOGXRCSA-N 2 2 328.420 1.125 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001031917385 701028940 /nfs/dbraw/zinc/02/89/40/701028940.db2.gz YNPPVCUMBUYSIM-KRWDZBQOSA-N 2 2 348.466 1.891 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001031917385 701028941 /nfs/dbraw/zinc/02/89/41/701028941.db2.gz YNPPVCUMBUYSIM-KRWDZBQOSA-N 2 2 348.466 1.891 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941001906 701035486 /nfs/dbraw/zinc/03/54/86/701035486.db2.gz BTGYGDSCLPCFFW-OAHLLOKOSA-N 2 2 335.452 1.128 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941001906 701035488 /nfs/dbraw/zinc/03/54/88/701035488.db2.gz BTGYGDSCLPCFFW-OAHLLOKOSA-N 2 2 335.452 1.128 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC000995170690 701685643 /nfs/dbraw/zinc/68/56/43/701685643.db2.gz UYPYVHBQPSAVPV-ZBFHGGJFSA-N 2 2 327.432 1.432 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)C1 ZINC001031920654 701057135 /nfs/dbraw/zinc/05/71/35/701057135.db2.gz PCBFNBPVBZHSSM-LADRWXRNSA-N 2 2 349.519 1.724 20 0 EDADLP CC1CC(C[NH+]2CC(CNC(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)C1 ZINC001031920654 701057136 /nfs/dbraw/zinc/05/71/36/701057136.db2.gz PCBFNBPVBZHSSM-LADRWXRNSA-N 2 2 349.519 1.724 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1)C1CCC1 ZINC000941060937 701107828 /nfs/dbraw/zinc/10/78/28/701107828.db2.gz JEAZZINOXTWPKC-IRXDYDNUSA-N 2 2 348.491 1.984 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1)C1CCC1 ZINC000941060937 701107830 /nfs/dbraw/zinc/10/78/30/701107830.db2.gz JEAZZINOXTWPKC-IRXDYDNUSA-N 2 2 348.491 1.984 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941127045 701186239 /nfs/dbraw/zinc/18/62/39/701186239.db2.gz SDQUVPLEVXFAKL-OAHLLOKOSA-N 2 2 344.463 1.411 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941127045 701186240 /nfs/dbraw/zinc/18/62/40/701186240.db2.gz SDQUVPLEVXFAKL-OAHLLOKOSA-N 2 2 344.463 1.411 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)n1 ZINC000945806559 701196717 /nfs/dbraw/zinc/19/67/17/701196717.db2.gz FEUPGMDRWWGBAQ-ZBFHGGJFSA-N 2 2 343.431 1.314 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)n1 ZINC000945806559 701196719 /nfs/dbraw/zinc/19/67/19/701196719.db2.gz FEUPGMDRWWGBAQ-ZBFHGGJFSA-N 2 2 343.431 1.314 20 0 EDADLP C[C@H]1C[N@H+](Cc2cc(C3CC3)no2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809308 701201421 /nfs/dbraw/zinc/20/14/21/701201421.db2.gz SPHDVBKZPDVZFX-XJKSGUPXSA-N 2 2 343.431 1.775 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cc(C3CC3)no2)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809308 701201423 /nfs/dbraw/zinc/20/14/23/701201423.db2.gz SPHDVBKZPDVZFX-XJKSGUPXSA-N 2 2 343.431 1.775 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166277 701377281 /nfs/dbraw/zinc/37/72/81/701377281.db2.gz FBGWXNGIXCCPGO-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941166277 701377282 /nfs/dbraw/zinc/37/72/82/701377282.db2.gz FBGWXNGIXCCPGO-MRXNPFEDSA-N 2 2 345.447 1.676 20 0 EDADLP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247285 701424170 /nfs/dbraw/zinc/42/41/70/701424170.db2.gz HHABSUMFHKLDJL-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247285 701424171 /nfs/dbraw/zinc/42/41/71/701424171.db2.gz HHABSUMFHKLDJL-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP CC(C)(C)CC[NH+]1CC(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000941391780 701501636 /nfs/dbraw/zinc/50/16/36/701501636.db2.gz IBLKRBKXOGAUQU-UHFFFAOYSA-N 2 2 347.507 1.607 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1nccs1 ZINC000995727857 701765689 /nfs/dbraw/zinc/76/56/89/701765689.db2.gz FQLXZHQROUCGHK-GFCCVEGCSA-N 2 2 333.461 1.826 20 0 EDADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC2(C)C)n1 ZINC000995732916 701819904 /nfs/dbraw/zinc/81/99/04/701819904.db2.gz IAWYRSBLFOYHNM-CQSZACIVSA-N 2 2 330.436 1.103 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001032201508 701832165 /nfs/dbraw/zinc/83/21/65/701832165.db2.gz GIVXXSGWOHONFA-WMHRWZGDSA-N 2 2 343.471 1.469 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000995742233 701916453 /nfs/dbraw/zinc/91/64/53/701916453.db2.gz BQYXNJCEBOOFMM-CABCVRRESA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000995748212 701961753 /nfs/dbraw/zinc/96/17/53/701961753.db2.gz RCAKNWRGQQYJGM-LSDHHAIUSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000944443033 702025852 /nfs/dbraw/zinc/02/58/52/702025852.db2.gz FIVJAPGUZFHEHD-XJKSGUPXSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000944443033 702025859 /nfs/dbraw/zinc/02/58/59/702025859.db2.gz FIVJAPGUZFHEHD-XJKSGUPXSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2C)C[C@@H]1C ZINC000944445269 702032718 /nfs/dbraw/zinc/03/27/18/702032718.db2.gz ONOYPALQPCMYSG-SUMWQHHRSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2C)C[C@@H]1C ZINC000944445269 702032726 /nfs/dbraw/zinc/03/27/26/702032726.db2.gz ONOYPALQPCMYSG-SUMWQHHRSA-N 2 2 341.459 1.991 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944101560 702215120 /nfs/dbraw/zinc/21/51/20/702215120.db2.gz XCIFYIBFPBOJHW-CJNGLKHVSA-N 2 2 342.447 1.088 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944101560 702215124 /nfs/dbraw/zinc/21/51/24/702215124.db2.gz XCIFYIBFPBOJHW-CJNGLKHVSA-N 2 2 342.447 1.088 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)CC2(C)C)n1 ZINC000995954933 702319374 /nfs/dbraw/zinc/31/93/74/702319374.db2.gz YRMVVVQBLGTYCD-CHWSQXEVSA-N 2 2 337.468 1.299 20 0 EDADLP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]Cc1csnn1 ZINC000995999973 702379634 /nfs/dbraw/zinc/37/96/34/702379634.db2.gz VEDPWJFZQACZEM-AWEZNQCLSA-N 2 2 349.504 1.493 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)n1 ZINC000996055691 702453380 /nfs/dbraw/zinc/45/33/80/702453380.db2.gz CNWCICQHAJQZRU-OCCSQVGLSA-N 2 2 346.435 1.471 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053290 702483977 /nfs/dbraw/zinc/48/39/77/702483977.db2.gz MYWFETDVMOHPBG-XJKSGUPXSA-N 2 2 330.432 1.729 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](C)C1 ZINC000942053290 702483981 /nfs/dbraw/zinc/48/39/81/702483981.db2.gz MYWFETDVMOHPBG-XJKSGUPXSA-N 2 2 330.432 1.729 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063988 702522098 /nfs/dbraw/zinc/52/20/98/702522098.db2.gz NNKZNEFWYAHGAI-GDBMZVCRSA-N 2 2 334.464 1.235 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000942063988 702522101 /nfs/dbraw/zinc/52/21/01/702522101.db2.gz NNKZNEFWYAHGAI-GDBMZVCRSA-N 2 2 334.464 1.235 20 0 EDADLP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996108541 702532810 /nfs/dbraw/zinc/53/28/10/702532810.db2.gz XRDHHJCDQZLIMG-MRXNPFEDSA-N 2 2 344.463 1.076 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC2(C)C)o1 ZINC000996109005 702533572 /nfs/dbraw/zinc/53/35/72/702533572.db2.gz YLYQVPBNLSTSPS-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC2(C)C)n1 ZINC000996131897 702563125 /nfs/dbraw/zinc/56/31/25/702563125.db2.gz DBYQWJZJGMLREH-AWEZNQCLSA-N 2 2 349.479 1.579 20 0 EDADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]([NH2+]Cc2cnon2)C(C)(C)C1 ZINC000996199310 702625962 /nfs/dbraw/zinc/62/59/62/702625962.db2.gz RMLUTSFLELVXDF-AWEZNQCLSA-N 2 2 347.419 1.365 20 0 EDADLP CCc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)o1 ZINC000995210915 702681980 /nfs/dbraw/zinc/68/19/80/702681980.db2.gz MFNWVNWJSWNEDB-KBPBESRZSA-N 2 2 346.435 1.212 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C(C)(C)C1)[NH+](C)C ZINC000996315080 702703304 /nfs/dbraw/zinc/70/33/04/702703304.db2.gz MEFOUXUSFZKRQG-UONOGXRCSA-N 2 2 349.479 1.614 20 0 EDADLP C[C@@H](CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1)n1cc[nH+]c1 ZINC000996363123 702723955 /nfs/dbraw/zinc/72/39/55/702723955.db2.gz JLMIAPCKSCFJDF-HOCLYGCPSA-N 2 2 344.463 1.595 20 0 EDADLP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996355817 702733502 /nfs/dbraw/zinc/73/35/02/702733502.db2.gz NVBUGFJGOGWPER-OAHLLOKOSA-N 2 2 328.420 1.077 20 0 EDADLP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)o1 ZINC000996356897 702734336 /nfs/dbraw/zinc/73/43/36/702734336.db2.gz ULTAVMGYNSOPGD-HNNXBMFYSA-N 2 2 345.447 1.838 20 0 EDADLP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996457673 702802056 /nfs/dbraw/zinc/80/20/56/702802056.db2.gz QAJQPWBUTZMXKM-CQSZACIVSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)sn1 ZINC000996458712 702803199 /nfs/dbraw/zinc/80/31/99/702803199.db2.gz WLPOLIJMSOHFAX-ZDUSSCGKSA-N 2 2 333.461 1.744 20 0 EDADLP C[C@H](O)C[NH2+][C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000996476485 702808763 /nfs/dbraw/zinc/80/87/63/702808763.db2.gz REFWFOQAQVOESM-YOEHRIQHSA-N 2 2 342.443 1.693 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)n1 ZINC000996515890 702851590 /nfs/dbraw/zinc/85/15/90/702851590.db2.gz VOQXVSPQNWITPF-CQSZACIVSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)cs1 ZINC000996516928 702852491 /nfs/dbraw/zinc/85/24/91/702852491.db2.gz CMCYRNGQIBMYTL-HNNXBMFYSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996610643 702915787 /nfs/dbraw/zinc/91/57/87/702915787.db2.gz JMFFIGUMBIBYMN-JSGCOSHPSA-N 2 2 335.452 1.361 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)n1 ZINC000996613587 702918702 /nfs/dbraw/zinc/91/87/02/702918702.db2.gz WAZQXRSOQWKGNZ-ZDUSSCGKSA-N 2 2 346.435 1.164 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2nccs2)C(C)(C)C1 ZINC000996620978 702926868 /nfs/dbraw/zinc/92/68/68/702926868.db2.gz IYQQLQARWLZKRP-CYBMUJFWSA-N 2 2 333.461 1.675 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccc(F)cc1 ZINC001032315172 702973981 /nfs/dbraw/zinc/97/39/81/702973981.db2.gz DDRRKHDSYSLBAW-XYJFISCASA-N 2 2 347.434 1.584 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOc1ccc(F)cc1 ZINC001032315172 702973982 /nfs/dbraw/zinc/97/39/82/702973982.db2.gz DDRRKHDSYSLBAW-XYJFISCASA-N 2 2 347.434 1.584 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccc(F)cc1 ZINC001032315172 702973983 /nfs/dbraw/zinc/97/39/83/702973983.db2.gz DDRRKHDSYSLBAW-XYJFISCASA-N 2 2 347.434 1.584 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOc1ccc(F)cc1 ZINC001032315172 702973984 /nfs/dbraw/zinc/97/39/84/702973984.db2.gz DDRRKHDSYSLBAW-XYJFISCASA-N 2 2 347.434 1.584 20 0 EDADLP CC(C)n1ncnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995251637 702979865 /nfs/dbraw/zinc/97/98/65/702979865.db2.gz PZMVPERBHBMGRP-GJZGRUSLSA-N 2 2 345.451 1.130 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996684400 702982342 /nfs/dbraw/zinc/98/23/42/702982342.db2.gz LXOSGWMSNIGZFE-HZPDHXFCSA-N 2 2 332.448 1.520 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996684400 702982343 /nfs/dbraw/zinc/98/23/43/702982343.db2.gz LXOSGWMSNIGZFE-HZPDHXFCSA-N 2 2 332.448 1.520 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C[C@@H]1C ZINC000942518015 703011625 /nfs/dbraw/zinc/01/16/25/703011625.db2.gz KREPVKOMRISOQI-SUMWQHHRSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C[C@@H]1C ZINC000942518015 703011628 /nfs/dbraw/zinc/01/16/28/703011628.db2.gz KREPVKOMRISOQI-SUMWQHHRSA-N 2 2 345.422 1.752 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2csc(C)n2)C[C@H]1C ZINC000942518618 703019732 /nfs/dbraw/zinc/01/97/32/703019732.db2.gz UOXUIMTUIKONRA-MLGOLLRUSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2csc(C)n2)C[C@H]1C ZINC000942518618 703019735 /nfs/dbraw/zinc/01/97/35/703019735.db2.gz UOXUIMTUIKONRA-MLGOLLRUSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)n2)C[C@@H]1C ZINC000942518617 703020194 /nfs/dbraw/zinc/02/01/94/703020194.db2.gz UOXUIMTUIKONRA-LRDDRELGSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2csc(C)n2)C[C@@H]1C ZINC000942518617 703020196 /nfs/dbraw/zinc/02/01/96/703020196.db2.gz UOXUIMTUIKONRA-LRDDRELGSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)co1 ZINC000996764218 703056215 /nfs/dbraw/zinc/05/62/15/703056215.db2.gz ZOCRWWNAFSUYAG-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996829896 703118998 /nfs/dbraw/zinc/11/89/98/703118998.db2.gz HWSCLXLERSTOFK-GXTWGEPZSA-N 2 2 344.381 1.979 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996829896 703119000 /nfs/dbraw/zinc/11/90/00/703119000.db2.gz HWSCLXLERSTOFK-GXTWGEPZSA-N 2 2 344.381 1.979 20 0 EDADLP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000996858262 703142504 /nfs/dbraw/zinc/14/25/04/703142504.db2.gz FWMDDWDRGGZFFP-ZDUSSCGKSA-N 2 2 346.435 1.560 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000996860448 703143849 /nfs/dbraw/zinc/14/38/49/703143849.db2.gz SASHSTSWAYKJEO-CRAIPNDOSA-N 2 2 332.448 1.280 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000996861362 703144431 /nfs/dbraw/zinc/14/44/31/703144431.db2.gz VCUUOIDDBPKJRB-UHFFFAOYSA-N 2 2 343.431 1.919 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cscn2)CC1 ZINC000996980654 703235905 /nfs/dbraw/zinc/23/59/05/703235905.db2.gz SOHCXKQLSXVJCA-CZUORRHYSA-N 2 2 336.505 1.954 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2cscn2)CC1 ZINC000996980654 703235907 /nfs/dbraw/zinc/23/59/07/703235907.db2.gz SOHCXKQLSXVJCA-CZUORRHYSA-N 2 2 336.505 1.954 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)no1 ZINC000996995330 703252256 /nfs/dbraw/zinc/25/22/56/703252256.db2.gz NOXGLFSCNFEMFJ-ZDUSSCGKSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)no1 ZINC000996995330 703252258 /nfs/dbraw/zinc/25/22/58/703252258.db2.gz NOXGLFSCNFEMFJ-ZDUSSCGKSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997040728 703291523 /nfs/dbraw/zinc/29/15/23/703291523.db2.gz JEXNLKCSLKMGLJ-UHFFFAOYSA-N 2 2 331.420 1.592 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC000997041533 703291978 /nfs/dbraw/zinc/29/19/78/703291978.db2.gz LQUKWOBJYVAFOQ-UHFFFAOYSA-N 2 2 329.404 1.598 20 0 EDADLP CC(C)(C(=O)N1CCC([NH2+]CC2CCOCC2)CC1)c1c[nH+]c[nH]1 ZINC000997184477 703473009 /nfs/dbraw/zinc/47/30/09/703473009.db2.gz YNBHZJNVCTYGJC-UHFFFAOYSA-N 2 2 334.464 1.695 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)[nH]1 ZINC000997222290 703500166 /nfs/dbraw/zinc/50/01/66/703500166.db2.gz QMBKEOZVAWLKKI-GFCCVEGCSA-N 2 2 345.451 1.283 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)s1 ZINC001032445094 703622649 /nfs/dbraw/zinc/62/26/49/703622649.db2.gz VGSXGUNLUSSILL-ZOBUZTSGSA-N 2 2 348.516 1.885 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)s1 ZINC001032445094 703622651 /nfs/dbraw/zinc/62/26/51/703622651.db2.gz VGSXGUNLUSSILL-ZOBUZTSGSA-N 2 2 348.516 1.885 20 0 EDADLP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460709 703642051 /nfs/dbraw/zinc/64/20/51/703642051.db2.gz ZQQFDHCKLVJOPC-BZSNNMDCSA-N 2 2 330.476 1.761 20 0 EDADLP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032460709 703642052 /nfs/dbraw/zinc/64/20/52/703642052.db2.gz ZQQFDHCKLVJOPC-BZSNNMDCSA-N 2 2 330.476 1.761 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCOC1 ZINC001032477466 703706034 /nfs/dbraw/zinc/70/60/34/703706034.db2.gz MANVNBBZTVWFGW-BPUTZDHNSA-N 2 2 340.427 1.888 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCOC1 ZINC001032477466 703706035 /nfs/dbraw/zinc/70/60/35/703706035.db2.gz MANVNBBZTVWFGW-BPUTZDHNSA-N 2 2 340.427 1.888 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC001032480064 703717258 /nfs/dbraw/zinc/71/72/58/703717258.db2.gz SUTHREFRWGQMID-OKZBNKHCSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001032480064 703717259 /nfs/dbraw/zinc/71/72/59/703717259.db2.gz SUTHREFRWGQMID-OKZBNKHCSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001032480064 703717262 /nfs/dbraw/zinc/71/72/62/703717262.db2.gz SUTHREFRWGQMID-OKZBNKHCSA-N 2 2 328.460 1.659 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001032480064 703717264 /nfs/dbraw/zinc/71/72/64/703717264.db2.gz SUTHREFRWGQMID-OKZBNKHCSA-N 2 2 328.460 1.659 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997587934 703876061 /nfs/dbraw/zinc/87/60/61/703876061.db2.gz RCOJRCTUEUDHAR-WMLDXEAASA-N 2 2 349.479 1.659 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnon2)CC1 ZINC000997587934 703876063 /nfs/dbraw/zinc/87/60/63/703876063.db2.gz RCOJRCTUEUDHAR-WMLDXEAASA-N 2 2 349.479 1.659 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1Cc1ccns1 ZINC000947929960 703876488 /nfs/dbraw/zinc/87/64/88/703876488.db2.gz PIBCADYSZOOOJO-STQMWFEESA-N 2 2 333.461 1.588 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1Cc1ccns1 ZINC000947929960 703876492 /nfs/dbraw/zinc/87/64/92/703876492.db2.gz PIBCADYSZOOOJO-STQMWFEESA-N 2 2 333.461 1.588 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ccon2)CC1 ZINC000997642917 703950635 /nfs/dbraw/zinc/95/06/35/703950635.db2.gz WDPFXMYZRNLXBM-YOEHRIQHSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](Cc2ccon2)CC1 ZINC000997642917 703950636 /nfs/dbraw/zinc/95/06/36/703950636.db2.gz WDPFXMYZRNLXBM-YOEHRIQHSA-N 2 2 334.464 1.876 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997642964 703950965 /nfs/dbraw/zinc/95/09/65/703950965.db2.gz XBKAWPQEHCWNJI-XJKSGUPXSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997642964 703950968 /nfs/dbraw/zinc/95/09/68/703950968.db2.gz XBKAWPQEHCWNJI-XJKSGUPXSA-N 2 2 349.479 1.579 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995552894 703962051 /nfs/dbraw/zinc/96/20/51/703962051.db2.gz RXYVYYLJSIQMJC-KBPBESRZSA-N 2 2 349.479 1.614 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995552894 703962053 /nfs/dbraw/zinc/96/20/53/703962053.db2.gz RXYVYYLJSIQMJC-KBPBESRZSA-N 2 2 349.479 1.614 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001004207616 703967059 /nfs/dbraw/zinc/96/70/59/703967059.db2.gz HPWRLVLSFHUECL-CZUORRHYSA-N 2 2 349.479 1.894 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC001004207616 703967061 /nfs/dbraw/zinc/96/70/61/703967061.db2.gz HPWRLVLSFHUECL-CZUORRHYSA-N 2 2 349.479 1.894 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001004207775 703967363 /nfs/dbraw/zinc/96/73/63/703967363.db2.gz JHKRQWVPIRFORN-XJKSGUPXSA-N 2 2 349.479 1.894 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001004207775 703967365 /nfs/dbraw/zinc/96/73/65/703967365.db2.gz JHKRQWVPIRFORN-XJKSGUPXSA-N 2 2 349.479 1.894 20 0 EDADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC001004258558 704086897 /nfs/dbraw/zinc/08/68/97/704086897.db2.gz TYQZLKAKEVPZLE-QGZVFWFLSA-N 2 2 334.464 1.405 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999309020 706810101 /nfs/dbraw/zinc/81/01/01/706810101.db2.gz UDIJRNSYTAPTFI-DZGCQCFKSA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC000999309020 706810102 /nfs/dbraw/zinc/81/01/02/706810102.db2.gz UDIJRNSYTAPTFI-DZGCQCFKSA-N 2 2 337.493 1.493 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004456354 704449659 /nfs/dbraw/zinc/44/96/59/704449659.db2.gz HPOINBUNPROFLC-KRWDZBQOSA-N 2 2 334.464 1.428 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004456354 704449661 /nfs/dbraw/zinc/44/96/61/704449661.db2.gz HPOINBUNPROFLC-KRWDZBQOSA-N 2 2 334.464 1.428 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004456354 704449663 /nfs/dbraw/zinc/44/96/63/704449663.db2.gz HPOINBUNPROFLC-KRWDZBQOSA-N 2 2 334.464 1.428 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004456354 704449665 /nfs/dbraw/zinc/44/96/65/704449665.db2.gz HPOINBUNPROFLC-KRWDZBQOSA-N 2 2 334.464 1.428 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997708869 704602610 /nfs/dbraw/zinc/60/26/10/704602610.db2.gz YMYHACBBMFOTOI-WOSRLPQWSA-N 2 2 348.495 1.485 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997708869 704602612 /nfs/dbraw/zinc/60/26/12/704602612.db2.gz YMYHACBBMFOTOI-WOSRLPQWSA-N 2 2 348.495 1.485 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000997739161 704636718 /nfs/dbraw/zinc/63/67/18/704636718.db2.gz SNIFXECLBFAPAV-UHFFFAOYSA-N 2 2 334.464 1.597 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ncccn1 ZINC000947936675 704669135 /nfs/dbraw/zinc/66/91/35/704669135.db2.gz XSDOEZYFCVZKAL-CABCVRRESA-N 2 2 329.448 1.042 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ncccn1 ZINC000947936675 704669139 /nfs/dbraw/zinc/66/91/39/704669139.db2.gz XSDOEZYFCVZKAL-CABCVRRESA-N 2 2 329.448 1.042 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997838333 704755839 /nfs/dbraw/zinc/75/58/39/704755839.db2.gz BMABFVMJSZJNQZ-ARFHVFGLSA-N 2 2 332.448 1.378 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997838333 704755842 /nfs/dbraw/zinc/75/58/42/704755842.db2.gz BMABFVMJSZJNQZ-ARFHVFGLSA-N 2 2 332.448 1.378 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)nn1C ZINC000944942575 704794594 /nfs/dbraw/zinc/79/45/94/704794594.db2.gz BIVOUSUHUICYDH-YOEHRIQHSA-N 2 2 333.480 1.151 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ncc(C3CC3)o2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942532 704794675 /nfs/dbraw/zinc/79/46/75/704794675.db2.gz ARGCAIAQECGABY-GDBMZVCRSA-N 2 2 346.475 1.974 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ncc(C3CC3)o2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942532 704794678 /nfs/dbraw/zinc/79/46/78/704794678.db2.gz ARGCAIAQECGABY-GDBMZVCRSA-N 2 2 346.475 1.974 20 0 EDADLP CC(C)n1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)nn1 ZINC000944945273 704798263 /nfs/dbraw/zinc/79/82/63/704798263.db2.gz QQQNWZFVGWSVFQ-RDJZCZTQSA-N 2 2 348.495 1.281 20 0 EDADLP CC(C)n1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)nn1 ZINC000944945273 704798264 /nfs/dbraw/zinc/79/82/64/704798264.db2.gz QQQNWZFVGWSVFQ-RDJZCZTQSA-N 2 2 348.495 1.281 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CC1 ZINC001032585399 705054333 /nfs/dbraw/zinc/05/43/33/705054333.db2.gz HAFVSTSTLGYJHM-FHWLQOOXSA-N 2 2 347.503 1.715 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CC1 ZINC001032585399 705054339 /nfs/dbraw/zinc/05/43/39/705054339.db2.gz HAFVSTSTLGYJHM-FHWLQOOXSA-N 2 2 347.503 1.715 20 0 EDADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001032585399 705054345 /nfs/dbraw/zinc/05/43/45/705054345.db2.gz HAFVSTSTLGYJHM-FHWLQOOXSA-N 2 2 347.503 1.715 20 0 EDADLP O=C([C@@H]1COCC[NH+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032585399 705054350 /nfs/dbraw/zinc/05/43/50/705054350.db2.gz HAFVSTSTLGYJHM-FHWLQOOXSA-N 2 2 347.503 1.715 20 0 EDADLP Cc1ccnc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000997953584 705082142 /nfs/dbraw/zinc/08/21/42/705082142.db2.gz WQIFVSBMWBZNAK-UHFFFAOYSA-N 2 2 342.447 1.400 20 0 EDADLP Cc1ncc(C[NH2+]CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000997953730 705082575 /nfs/dbraw/zinc/08/25/75/705082575.db2.gz YLMLGZPMFYRZSU-UHFFFAOYSA-N 2 2 342.447 1.400 20 0 EDADLP CCN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998065987 705278615 /nfs/dbraw/zinc/27/86/15/705278615.db2.gz ZUUPBLBFKZSTJY-HNNXBMFYSA-N 2 2 330.432 1.643 20 0 EDADLP CCN(C(=O)c1cccc2[nH+]ccn21)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000998065987 705278618 /nfs/dbraw/zinc/27/86/18/705278618.db2.gz ZUUPBLBFKZSTJY-HNNXBMFYSA-N 2 2 330.432 1.643 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1)n1cc[nH+]c1 ZINC000998122578 705375684 /nfs/dbraw/zinc/37/56/84/705375684.db2.gz ATJUVNOVSKAGSR-ZDUSSCGKSA-N 2 2 332.408 1.246 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998138910 705404638 /nfs/dbraw/zinc/40/46/38/705404638.db2.gz MUUBWVUZFVDBMC-YJBOKZPZSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998138910 705404641 /nfs/dbraw/zinc/40/46/41/705404641.db2.gz MUUBWVUZFVDBMC-YJBOKZPZSA-N 2 2 348.491 1.986 20 0 EDADLP COc1cc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)sn1 ZINC000998183514 705482952 /nfs/dbraw/zinc/48/29/52/705482952.db2.gz PVPGPDFAIMMJBA-UHFFFAOYSA-N 2 2 349.460 1.446 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000998222821 705549804 /nfs/dbraw/zinc/54/98/04/705549804.db2.gz NNSRLUUVIGQQJV-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000998252729 705607006 /nfs/dbraw/zinc/60/70/06/705607006.db2.gz AXBOVMVLHIQBEV-INIZCTEOSA-N 2 2 334.464 1.217 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998254476 705611176 /nfs/dbraw/zinc/61/11/76/705611176.db2.gz NZESJCXFNJMKAE-KRWDZBQOSA-N 2 2 348.491 1.608 20 0 EDADLP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC(F)(F)F)C1 ZINC001032629419 705750875 /nfs/dbraw/zinc/75/08/75/705750875.db2.gz VDPBZXMGTPGOGF-STQMWFEESA-N 2 2 333.398 1.956 20 0 EDADLP CC1(C)CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC(F)(F)F)C1 ZINC001032629419 705750879 /nfs/dbraw/zinc/75/08/79/705750879.db2.gz VDPBZXMGTPGOGF-STQMWFEESA-N 2 2 333.398 1.956 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(F)(F)F)C1 ZINC001032629419 705750884 /nfs/dbraw/zinc/75/08/84/705750884.db2.gz VDPBZXMGTPGOGF-STQMWFEESA-N 2 2 333.398 1.956 20 0 EDADLP CC1(C)CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC(F)(F)F)C1 ZINC001032629419 705750888 /nfs/dbraw/zinc/75/08/88/705750888.db2.gz VDPBZXMGTPGOGF-STQMWFEESA-N 2 2 333.398 1.956 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000998725716 706160567 /nfs/dbraw/zinc/16/05/67/706160567.db2.gz XOOOOXDHLASRSN-KBPBESRZSA-N 2 2 348.495 1.277 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000998725716 706160569 /nfs/dbraw/zinc/16/05/69/706160569.db2.gz XOOOOXDHLASRSN-KBPBESRZSA-N 2 2 348.495 1.277 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000998726025 706160587 /nfs/dbraw/zinc/16/05/87/706160587.db2.gz YJYDUMBHTFZCPP-KGLIPLIRSA-N 2 2 333.436 1.122 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC000998726025 706160588 /nfs/dbraw/zinc/16/05/88/706160588.db2.gz YJYDUMBHTFZCPP-KGLIPLIRSA-N 2 2 333.436 1.122 20 0 EDADLP CN(C(=O)[C@@H]1CCCc2[nH+]ccn21)C1CC([NH2+]Cc2ncccn2)C1 ZINC000998899271 706327256 /nfs/dbraw/zinc/32/72/56/706327256.db2.gz DNUUXDWVVJJHKT-NRXISQOPSA-N 2 2 340.431 1.330 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998985706 706403605 /nfs/dbraw/zinc/40/36/05/706403605.db2.gz CHMKDLGVJLYUTL-UHFFFAOYSA-N 2 2 347.459 1.638 20 0 EDADLP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999006818 706426532 /nfs/dbraw/zinc/42/65/32/706426532.db2.gz FWGAIQSEBPOLAY-IUDNXUCKSA-N 2 2 343.431 1.521 20 0 EDADLP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999007392 706427147 /nfs/dbraw/zinc/42/71/47/706427147.db2.gz NAYDSOONBJLIRH-JEYLPNPQSA-N 2 2 343.431 1.521 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999008501 706428350 /nfs/dbraw/zinc/42/83/50/706428350.db2.gz YSPYGTPYHDSRQU-GTPINHCMSA-N 2 2 346.475 1.451 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999037089 706452331 /nfs/dbraw/zinc/45/23/31/706452331.db2.gz ZFZNSKFIOSBZMG-OAHLLOKOSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1ncsc1CC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999044703 706485847 /nfs/dbraw/zinc/48/58/47/706485847.db2.gz LVRGXYZQNNNMGD-CQSZACIVSA-N 2 2 347.488 1.931 20 0 EDADLP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH2+]Cc2cnsn2)C1 ZINC000999123832 706548285 /nfs/dbraw/zinc/54/82/85/706548285.db2.gz QRSWHKUNFWHNFX-UHFFFAOYSA-N 2 2 342.428 1.579 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+][C@H](C)c2noc(C)n2)C1 ZINC000999123261 706548345 /nfs/dbraw/zinc/54/83/45/706548345.db2.gz GFWQYPHABRUIGJ-LMWSTFAQSA-N 2 2 332.408 1.223 20 0 EDADLP Cc1ncsc1CC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999322139 706832022 /nfs/dbraw/zinc/83/20/22/706832022.db2.gz IPKMCPANSOPFNW-HNNXBMFYSA-N 2 2 347.488 1.931 20 0 EDADLP Cc1ncsc1CC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999322139 706832024 /nfs/dbraw/zinc/83/20/24/706832024.db2.gz IPKMCPANSOPFNW-HNNXBMFYSA-N 2 2 347.488 1.931 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)n1 ZINC000999345805 706857596 /nfs/dbraw/zinc/85/75/96/706857596.db2.gz BACCXWPGHFNUSG-JKSUJKDBSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)n1 ZINC000999345805 706857598 /nfs/dbraw/zinc/85/75/98/706857598.db2.gz BACCXWPGHFNUSG-JKSUJKDBSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999368933 706882715 /nfs/dbraw/zinc/88/27/15/706882715.db2.gz HSAYWINLJYCNEB-ZBFHGGJFSA-N 2 2 343.431 1.838 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC000999514235 707013316 /nfs/dbraw/zinc/01/33/16/707013316.db2.gz VARGHUDSTMINJN-LSDHHAIUSA-N 2 2 349.479 1.758 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC000999514235 707013317 /nfs/dbraw/zinc/01/33/17/707013317.db2.gz VARGHUDSTMINJN-LSDHHAIUSA-N 2 2 349.479 1.758 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000999488776 707024328 /nfs/dbraw/zinc/02/43/28/707024328.db2.gz GYNHTKMSKUPFEO-NVXWUHKLSA-N 2 2 347.459 1.640 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(C(F)F)no2)C1)[NH+](C)C ZINC000999490827 707027336 /nfs/dbraw/zinc/02/73/36/707027336.db2.gz SWLZVCFXFIMRMP-WDEREUQCSA-N 2 2 345.394 1.428 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccns3)C2)no1 ZINC000999564198 707060385 /nfs/dbraw/zinc/06/03/85/707060385.db2.gz XXEBGGCTYAVMNT-LBPRGKRZSA-N 2 2 349.460 1.587 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]C[C@H]2CCCCO2)C1 ZINC000999698070 707224309 /nfs/dbraw/zinc/22/43/09/707224309.db2.gz PINXGVQZXUIBBZ-YMAMQOFZSA-N 2 2 334.464 1.835 20 0 EDADLP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)s1 ZINC000999690297 707246945 /nfs/dbraw/zinc/24/69/45/707246945.db2.gz WLACYNUBKMMBAD-UHFFFAOYSA-N 2 2 333.461 1.507 20 0 EDADLP C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004829463 707368291 /nfs/dbraw/zinc/36/82/91/707368291.db2.gz DCIAXVNKPDFPHY-GOEBONIOSA-N 2 2 344.463 1.635 20 0 EDADLP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033186029 707376239 /nfs/dbraw/zinc/37/62/39/707376239.db2.gz ROIZMAAAOXJYOI-SOLBZPMBSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033186029 707376244 /nfs/dbraw/zinc/37/62/44/707376244.db2.gz ROIZMAAAOXJYOI-SOLBZPMBSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186029 707376249 /nfs/dbraw/zinc/37/62/49/707376249.db2.gz ROIZMAAAOXJYOI-SOLBZPMBSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186029 707376252 /nfs/dbraw/zinc/37/62/52/707376252.db2.gz ROIZMAAAOXJYOI-SOLBZPMBSA-N 2 2 346.475 1.142 20 0 EDADLP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297083 707410581 /nfs/dbraw/zinc/41/05/81/707410581.db2.gz GGPTVVHVWOXEFK-RBUKOAKNSA-N 2 2 349.519 1.986 20 0 EDADLP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033297083 707410585 /nfs/dbraw/zinc/41/05/85/707410585.db2.gz GGPTVVHVWOXEFK-RBUKOAKNSA-N 2 2 349.519 1.986 20 0 EDADLP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033297083 707410591 /nfs/dbraw/zinc/41/05/91/707410591.db2.gz GGPTVVHVWOXEFK-RBUKOAKNSA-N 2 2 349.519 1.986 20 0 EDADLP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000999916882 707558989 /nfs/dbraw/zinc/55/89/89/707558989.db2.gz PVRPESGPBRRXOX-UHFFFAOYSA-N 2 2 329.404 1.066 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815788 707565541 /nfs/dbraw/zinc/56/55/41/707565541.db2.gz OTTHXIYRLFEQEV-YHUYYLMFSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815788 707565542 /nfs/dbraw/zinc/56/55/42/707565542.db2.gz OTTHXIYRLFEQEV-YHUYYLMFSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815788 707565545 /nfs/dbraw/zinc/56/55/45/707565545.db2.gz OTTHXIYRLFEQEV-YHUYYLMFSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815788 707565548 /nfs/dbraw/zinc/56/55/48/707565548.db2.gz OTTHXIYRLFEQEV-YHUYYLMFSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004919883 707628114 /nfs/dbraw/zinc/62/81/14/707628114.db2.gz MNPWPUDKNXDPIY-JKSUJKDBSA-N 2 2 344.463 1.566 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033365426 707659369 /nfs/dbraw/zinc/65/93/69/707659369.db2.gz NOKCIFMOTSSVBR-RBUKOAKNSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@H]1COCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033365426 707659374 /nfs/dbraw/zinc/65/93/74/707659374.db2.gz NOKCIFMOTSSVBR-RBUKOAKNSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033365426 707659379 /nfs/dbraw/zinc/65/93/79/707659379.db2.gz NOKCIFMOTSSVBR-RBUKOAKNSA-N 2 2 349.519 1.963 20 0 EDADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033365426 707659382 /nfs/dbraw/zinc/65/93/82/707659382.db2.gz NOKCIFMOTSSVBR-RBUKOAKNSA-N 2 2 349.519 1.963 20 0 EDADLP Cc1ncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)s1 ZINC001032730935 707730649 /nfs/dbraw/zinc/73/06/49/707730649.db2.gz UNVMMQPIYPKKEO-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@H+](C)C2)s1 ZINC001032730935 707730653 /nfs/dbraw/zinc/73/06/53/707730653.db2.gz UNVMMQPIYPKKEO-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)s1 ZINC001032730935 707730655 /nfs/dbraw/zinc/73/06/55/707730655.db2.gz UNVMMQPIYPKKEO-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[NH+](C)C2)s1 ZINC001032730935 707730658 /nfs/dbraw/zinc/73/06/58/707730658.db2.gz UNVMMQPIYPKKEO-ILXRZTDVSA-N 2 2 334.489 1.578 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033217602 707744855 /nfs/dbraw/zinc/74/48/55/707744855.db2.gz LYKODIKWOMSPMB-AEFFLSMTSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033217602 707744857 /nfs/dbraw/zinc/74/48/57/707744857.db2.gz LYKODIKWOMSPMB-AEFFLSMTSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033217602 707744858 /nfs/dbraw/zinc/74/48/58/707744858.db2.gz LYKODIKWOMSPMB-AEFFLSMTSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033217602 707744859 /nfs/dbraw/zinc/74/48/59/707744859.db2.gz LYKODIKWOMSPMB-AEFFLSMTSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033217605 707744865 /nfs/dbraw/zinc/74/48/65/707744865.db2.gz LYKODIKWOMSPMB-WMZOPIPTSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033217605 707744866 /nfs/dbraw/zinc/74/48/66/707744866.db2.gz LYKODIKWOMSPMB-WMZOPIPTSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033217605 707744867 /nfs/dbraw/zinc/74/48/67/707744867.db2.gz LYKODIKWOMSPMB-WMZOPIPTSA-N 2 2 347.507 1.573 20 0 EDADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033217605 707744868 /nfs/dbraw/zinc/74/48/68/707744868.db2.gz LYKODIKWOMSPMB-WMZOPIPTSA-N 2 2 347.507 1.573 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]cn2C)no1 ZINC001004972850 707799833 /nfs/dbraw/zinc/79/98/33/707799833.db2.gz BDNYHJPRTQOYQP-WMLDXEAASA-N 2 2 345.447 1.818 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001033425450 707845080 /nfs/dbraw/zinc/84/50/80/707845080.db2.gz JFZSXWSMQIFLIY-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)cn1 ZINC001033425450 707845083 /nfs/dbraw/zinc/84/50/83/707845083.db2.gz JFZSXWSMQIFLIY-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC001033425450 707845087 /nfs/dbraw/zinc/84/50/87/707845087.db2.gz JFZSXWSMQIFLIY-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)cn1 ZINC001033425450 707845089 /nfs/dbraw/zinc/84/50/89/707845089.db2.gz JFZSXWSMQIFLIY-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228511 707869336 /nfs/dbraw/zinc/86/93/36/707869336.db2.gz LVEUFVZKQKSYML-AWEZNQCLSA-N 2 2 349.504 1.508 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228511 707869340 /nfs/dbraw/zinc/86/93/40/707869340.db2.gz LVEUFVZKQKSYML-AWEZNQCLSA-N 2 2 349.504 1.508 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC001033458979 707910106 /nfs/dbraw/zinc/91/01/06/707910106.db2.gz UOPFOMCWZSJMSX-CQSZACIVSA-N 2 2 333.461 1.758 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC001033458979 707910111 /nfs/dbraw/zinc/91/01/11/707910111.db2.gz UOPFOMCWZSJMSX-CQSZACIVSA-N 2 2 333.461 1.758 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005010413 707928130 /nfs/dbraw/zinc/92/81/30/707928130.db2.gz PYXWOIJPEDDKBL-JKSUJKDBSA-N 2 2 344.463 1.659 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033473652 707962398 /nfs/dbraw/zinc/96/23/98/707962398.db2.gz NAUGHXJVPVDJLO-GOSISDBHSA-N 2 2 349.519 1.964 20 0 EDADLP CN(C(=O)C1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033473652 707962402 /nfs/dbraw/zinc/96/24/02/707962402.db2.gz NAUGHXJVPVDJLO-GOSISDBHSA-N 2 2 349.519 1.964 20 0 EDADLP c1cc2c(c(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)c1)OCC2 ZINC000921746570 707967421 /nfs/dbraw/zinc/96/74/21/707967421.db2.gz FHRXAUYZPAWGFZ-SFHVURJKSA-N 2 2 331.460 1.118 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]Cc2cc(CO)ccc2F)C1 ZINC001000311888 707983936 /nfs/dbraw/zinc/98/39/36/707983936.db2.gz LGFPYUVLXFXOKD-OAHLLOKOSA-N 2 2 346.406 1.364 20 0 EDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000921771561 708013091 /nfs/dbraw/zinc/01/30/91/708013091.db2.gz ZBHDFZLKYZDBDS-MOPGFXCFSA-N 2 2 346.450 1.825 20 0 EDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CCF)c1 ZINC000921771561 708013093 /nfs/dbraw/zinc/01/30/93/708013093.db2.gz ZBHDFZLKYZDBDS-MOPGFXCFSA-N 2 2 346.450 1.825 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032802618 708088752 /nfs/dbraw/zinc/08/87/52/708088752.db2.gz HAKSUHDTLUBDSW-ZOBUZTSGSA-N 2 2 331.464 1.080 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C ZINC001032802618 708088756 /nfs/dbraw/zinc/08/87/56/708088756.db2.gz HAKSUHDTLUBDSW-ZOBUZTSGSA-N 2 2 331.464 1.080 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005184557 708111444 /nfs/dbraw/zinc/11/14/44/708111444.db2.gz NXANWXWIFPOVJD-ZBFHGGJFSA-N 2 2 331.464 1.555 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001005184557 708111447 /nfs/dbraw/zinc/11/14/47/708111447.db2.gz NXANWXWIFPOVJD-ZBFHGGJFSA-N 2 2 331.464 1.555 20 0 EDADLP Cc1csc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005178442 708120533 /nfs/dbraw/zinc/12/05/33/708120533.db2.gz ISGAVRSYAKHWSV-OAHLLOKOSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1csc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001005178442 708120537 /nfs/dbraw/zinc/12/05/37/708120537.db2.gz ISGAVRSYAKHWSV-OAHLLOKOSA-N 2 2 336.505 1.969 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061014316 708175371 /nfs/dbraw/zinc/17/53/71/708175371.db2.gz LDWHTXXXTZJDCS-HOTGVXAUSA-N 2 2 331.464 1.920 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061014316 708175373 /nfs/dbraw/zinc/17/53/73/708175373.db2.gz LDWHTXXXTZJDCS-HOTGVXAUSA-N 2 2 331.464 1.920 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033586895 708277570 /nfs/dbraw/zinc/27/75/70/708277570.db2.gz CIDXOXMKKTUHTD-FUHWJXTLSA-N 2 2 342.443 1.229 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033586895 708277573 /nfs/dbraw/zinc/27/75/73/708277573.db2.gz CIDXOXMKKTUHTD-FUHWJXTLSA-N 2 2 342.443 1.229 20 0 EDADLP CCc1nnc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001001794091 708308886 /nfs/dbraw/zinc/30/88/86/708308886.db2.gz ANUASFLXACHMIB-UHFFFAOYSA-N 2 2 349.479 1.302 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033616597 708342623 /nfs/dbraw/zinc/34/26/23/708342623.db2.gz JMXMGWITKSYVAT-OCCSQVGLSA-N 2 2 342.390 1.218 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033616597 708342625 /nfs/dbraw/zinc/34/26/25/708342625.db2.gz JMXMGWITKSYVAT-OCCSQVGLSA-N 2 2 342.390 1.218 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617600 708345897 /nfs/dbraw/zinc/34/58/97/708345897.db2.gz WKBGJCAOTNDVKG-CQSZACIVSA-N 2 2 345.447 1.852 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617600 708345901 /nfs/dbraw/zinc/34/59/01/708345901.db2.gz WKBGJCAOTNDVKG-CQSZACIVSA-N 2 2 345.447 1.852 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033684078 708496408 /nfs/dbraw/zinc/49/64/08/708496408.db2.gz CQJSGOSFWXJJNN-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001033684078 708496409 /nfs/dbraw/zinc/49/64/09/708496409.db2.gz CQJSGOSFWXJJNN-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001033684078 708496411 /nfs/dbraw/zinc/49/64/11/708496411.db2.gz CQJSGOSFWXJJNN-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001033684078 708496413 /nfs/dbraw/zinc/49/64/13/708496413.db2.gz CQJSGOSFWXJJNN-DOTOQJQBSA-N 2 2 334.464 1.890 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033777750 708705017 /nfs/dbraw/zinc/70/50/17/708705017.db2.gz WEVKWTQEYXWRCK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033777750 708705019 /nfs/dbraw/zinc/70/50/19/708705019.db2.gz WEVKWTQEYXWRCK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033777750 708705020 /nfs/dbraw/zinc/70/50/20/708705020.db2.gz WEVKWTQEYXWRCK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2nccnc2C)C1 ZINC001033777750 708705022 /nfs/dbraw/zinc/70/50/22/708705022.db2.gz WEVKWTQEYXWRCK-NVXWUHKLSA-N 2 2 331.464 1.302 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001033837751 708867244 /nfs/dbraw/zinc/86/72/44/708867244.db2.gz JIPCNLPMPXWHLK-BZUAXINKSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001033837751 708867246 /nfs/dbraw/zinc/86/72/46/708867246.db2.gz JIPCNLPMPXWHLK-BZUAXINKSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001033837751 708867253 /nfs/dbraw/zinc/86/72/53/708867253.db2.gz JIPCNLPMPXWHLK-BZUAXINKSA-N 2 2 334.464 1.746 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001033837751 708867255 /nfs/dbraw/zinc/86/72/55/708867255.db2.gz JIPCNLPMPXWHLK-BZUAXINKSA-N 2 2 334.464 1.746 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001005398428 708881856 /nfs/dbraw/zinc/88/18/56/708881856.db2.gz OMAMDAVCEHVTQU-QGZVFWFLSA-N 2 2 346.475 1.748 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2nccs2)CC1 ZINC001005399995 708886850 /nfs/dbraw/zinc/88/68/50/708886850.db2.gz XJJOGPZEWMGWFQ-MRXNPFEDSA-N 2 2 348.516 1.908 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)s1 ZINC001002479239 709028588 /nfs/dbraw/zinc/02/85/88/709028588.db2.gz HAJFOGRJDRIIRB-MRXNPFEDSA-N 2 2 336.505 1.935 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)s1 ZINC001002479239 709028590 /nfs/dbraw/zinc/02/85/90/709028590.db2.gz HAJFOGRJDRIIRB-MRXNPFEDSA-N 2 2 336.505 1.935 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@H+](CCOC)C1 ZINC001034015106 709230923 /nfs/dbraw/zinc/23/09/23/709230923.db2.gz KUKLKHAQNLIPMO-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cn1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001034015106 709230927 /nfs/dbraw/zinc/23/09/27/709230927.db2.gz KUKLKHAQNLIPMO-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001034015651 709232169 /nfs/dbraw/zinc/23/21/69/709232169.db2.gz IZGDTHNXDRPWQJ-CQSZACIVSA-N 2 2 349.504 1.365 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001034015651 709232172 /nfs/dbraw/zinc/23/21/72/709232172.db2.gz IZGDTHNXDRPWQJ-CQSZACIVSA-N 2 2 349.504 1.365 20 0 EDADLP COc1ccnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001034140096 709390314 /nfs/dbraw/zinc/39/03/14/709390314.db2.gz WWXUYXBYDCZHBO-CRAIPNDOSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001034140096 709390315 /nfs/dbraw/zinc/39/03/15/709390315.db2.gz WWXUYXBYDCZHBO-CRAIPNDOSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001034140096 709390316 /nfs/dbraw/zinc/39/03/16/709390316.db2.gz WWXUYXBYDCZHBO-CRAIPNDOSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001034140096 709390317 /nfs/dbraw/zinc/39/03/17/709390317.db2.gz WWXUYXBYDCZHBO-CRAIPNDOSA-N 2 2 346.475 1.655 20 0 EDADLP CCc1nc(N(C)[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc(C)[nH+]1 ZINC001061175828 709474260 /nfs/dbraw/zinc/47/42/60/709474260.db2.gz RWQWWEIXVYDEBG-JKSUJKDBSA-N 2 2 345.491 1.869 20 0 EDADLP CCc1nc(N(C)[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc(C)[nH+]1 ZINC001061175828 709474261 /nfs/dbraw/zinc/47/42/61/709474261.db2.gz RWQWWEIXVYDEBG-JKSUJKDBSA-N 2 2 345.491 1.869 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001002873040 709493204 /nfs/dbraw/zinc/49/32/04/709493204.db2.gz WPWKSCPJNIDCBT-DYVFJYSZSA-N 2 2 349.479 1.406 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001002873040 709493206 /nfs/dbraw/zinc/49/32/06/709493206.db2.gz WPWKSCPJNIDCBT-DYVFJYSZSA-N 2 2 349.479 1.406 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[N@@H+](C[C@H](C)O)C3)ccn12 ZINC001034206459 709552661 /nfs/dbraw/zinc/55/26/61/709552661.db2.gz IJYFYOVWDVLOCD-GOEBONIOSA-N 2 2 330.432 1.608 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[N@H+](C[C@H](C)O)C3)ccn12 ZINC001034206459 709552664 /nfs/dbraw/zinc/55/26/64/709552664.db2.gz IJYFYOVWDVLOCD-GOEBONIOSA-N 2 2 330.432 1.608 20 0 EDADLP C[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210753 709560710 /nfs/dbraw/zinc/56/07/10/709560710.db2.gz JKBKTTJDHUGSMW-GJZGRUSLSA-N 2 2 338.496 1.095 20 0 EDADLP C[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210753 709560712 /nfs/dbraw/zinc/56/07/12/709560712.db2.gz JKBKTTJDHUGSMW-GJZGRUSLSA-N 2 2 338.496 1.095 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC001034216113 709570544 /nfs/dbraw/zinc/57/05/44/709570544.db2.gz DNODQZGKMHOPPL-BPQIPLTHSA-N 2 2 347.507 1.621 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccn(C)n3)C2)CC[N@H+]1C ZINC001034216113 709570547 /nfs/dbraw/zinc/57/05/47/709570547.db2.gz DNODQZGKMHOPPL-BPQIPLTHSA-N 2 2 347.507 1.621 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001034216113 709570550 /nfs/dbraw/zinc/57/05/50/709570550.db2.gz DNODQZGKMHOPPL-BPQIPLTHSA-N 2 2 347.507 1.621 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccn(C)n3)C2)CC[NH+]1C ZINC001034216113 709570554 /nfs/dbraw/zinc/57/05/54/709570554.db2.gz DNODQZGKMHOPPL-BPQIPLTHSA-N 2 2 347.507 1.621 20 0 EDADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)[nH]n1 ZINC001034216546 709571382 /nfs/dbraw/zinc/57/13/82/709571382.db2.gz IOSWHQDNSZKQIB-RHSMWYFYSA-N 2 2 349.479 1.143 20 0 EDADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)[nH]n1 ZINC001034216546 709571385 /nfs/dbraw/zinc/57/13/85/709571385.db2.gz IOSWHQDNSZKQIB-RHSMWYFYSA-N 2 2 349.479 1.143 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)[nH]n1 ZINC001034216546 709571387 /nfs/dbraw/zinc/57/13/87/709571387.db2.gz IOSWHQDNSZKQIB-RHSMWYFYSA-N 2 2 349.479 1.143 20 0 EDADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N[C@@H]2CCCC[N@@H+](CCCO)C2)[nH]n1 ZINC001034216546 709571390 /nfs/dbraw/zinc/57/13/90/709571390.db2.gz IOSWHQDNSZKQIB-RHSMWYFYSA-N 2 2 349.479 1.143 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001002953798 709654203 /nfs/dbraw/zinc/65/42/03/709654203.db2.gz CQNSHAGVZGYEMA-CJNGLKHVSA-N 2 2 349.479 1.894 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC001002953798 709654205 /nfs/dbraw/zinc/65/42/05/709654205.db2.gz CQNSHAGVZGYEMA-CJNGLKHVSA-N 2 2 349.479 1.894 20 0 EDADLP O=C(N[C@H]1CCCC[N@@H+]([C@H]2CCNC2=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034269162 709673414 /nfs/dbraw/zinc/67/34/14/709673414.db2.gz AHMOEPMSZSGICW-BBRMVZONSA-N 2 2 341.415 1.036 20 0 EDADLP O=C(N[C@H]1CCCC[N@H+]([C@H]2CCNC2=O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001034269162 709673416 /nfs/dbraw/zinc/67/34/16/709673416.db2.gz AHMOEPMSZSGICW-BBRMVZONSA-N 2 2 341.415 1.036 20 0 EDADLP CCn1ccc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001034308457 709748892 /nfs/dbraw/zinc/74/88/92/709748892.db2.gz BRSOPUSLOVVWQV-INIZCTEOSA-N 2 2 344.463 1.579 20 0 EDADLP CCn1ccc(C[N@H+]2CCCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001034308457 709748895 /nfs/dbraw/zinc/74/88/95/709748895.db2.gz BRSOPUSLOVVWQV-INIZCTEOSA-N 2 2 344.463 1.579 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2nccnc2C)C1 ZINC001034309171 709751409 /nfs/dbraw/zinc/75/14/09/709751409.db2.gz JGAUHHSCPZZAPD-INIZCTEOSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2nccnc2C)C1 ZINC001034309171 709751411 /nfs/dbraw/zinc/75/14/11/709751411.db2.gz JGAUHHSCPZZAPD-INIZCTEOSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2nccs2)C1 ZINC001034311186 709755378 /nfs/dbraw/zinc/75/53/78/709755378.db2.gz FJRAMOYWFKBITK-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2nccs2)C1 ZINC001034311186 709755380 /nfs/dbraw/zinc/75/53/80/709755380.db2.gz FJRAMOYWFKBITK-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1noc([C@H](C)[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034382523 709907411 /nfs/dbraw/zinc/90/74/11/709907411.db2.gz QKICIJIZAPRKPO-XJKSGUPXSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1noc([C@H](C)[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034382523 709907414 /nfs/dbraw/zinc/90/74/14/709907414.db2.gz QKICIJIZAPRKPO-XJKSGUPXSA-N 2 2 349.479 1.752 20 0 EDADLP CC[C@H](C[NH+]1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1)OC ZINC001003141402 710035168 /nfs/dbraw/zinc/03/51/68/710035168.db2.gz WJYXQQZKRQPOGU-MRXNPFEDSA-N 2 2 335.448 1.638 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001003157692 710060791 /nfs/dbraw/zinc/06/07/91/710060791.db2.gz FIQHMKIEJBVMAB-ZBFHGGJFSA-N 2 2 331.464 1.603 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003157692 710060796 /nfs/dbraw/zinc/06/07/96/710060796.db2.gz FIQHMKIEJBVMAB-ZBFHGGJFSA-N 2 2 331.464 1.603 20 0 EDADLP O=C(NC1CC[NH+](CC[C@H]2CCCO2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001003193154 710127905 /nfs/dbraw/zinc/12/79/05/710127905.db2.gz LOXGGKOEFCUBDB-DOTOQJQBSA-N 2 2 346.475 1.595 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCCO2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003193158 710127952 /nfs/dbraw/zinc/12/79/52/710127952.db2.gz LOXGGKOEFCUBDB-WBVHZDCISA-N 2 2 346.475 1.595 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001003193570 710128470 /nfs/dbraw/zinc/12/84/70/710128470.db2.gz NMYZAPBUPGURSE-LSDHHAIUSA-N 2 2 332.448 1.063 20 0 EDADLP CCn1nc(C)c(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525379 710174485 /nfs/dbraw/zinc/17/44/85/710174485.db2.gz LNZQRSXAKZZRBE-JKSUJKDBSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525379 710174487 /nfs/dbraw/zinc/17/44/87/710174487.db2.gz LNZQRSXAKZZRBE-JKSUJKDBSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525379 710174488 /nfs/dbraw/zinc/17/44/88/710174488.db2.gz LNZQRSXAKZZRBE-JKSUJKDBSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525379 710174489 /nfs/dbraw/zinc/17/44/89/710174489.db2.gz LNZQRSXAKZZRBE-JKSUJKDBSA-N 2 2 348.495 1.029 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3coc(C4CC4)n3)C2)C1 ZINC001034525896 710176743 /nfs/dbraw/zinc/17/67/43/710176743.db2.gz RDRTWPPUAVSLEY-HOTGVXAUSA-N 2 2 346.475 1.974 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3coc(C4CC4)n3)C2)C1 ZINC001034525896 710176745 /nfs/dbraw/zinc/17/67/45/710176745.db2.gz RDRTWPPUAVSLEY-HOTGVXAUSA-N 2 2 346.475 1.974 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3coc(C4CC4)n3)C2)C1 ZINC001034525896 710176746 /nfs/dbraw/zinc/17/67/46/710176746.db2.gz RDRTWPPUAVSLEY-HOTGVXAUSA-N 2 2 346.475 1.974 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3coc(C4CC4)n3)C2)C1 ZINC001034525896 710176747 /nfs/dbraw/zinc/17/67/47/710176747.db2.gz RDRTWPPUAVSLEY-HOTGVXAUSA-N 2 2 346.475 1.974 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034527719 710180863 /nfs/dbraw/zinc/18/08/63/710180863.db2.gz GHTMIDKCQUPKKP-INIZCTEOSA-N 2 2 331.464 1.352 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034527719 710180866 /nfs/dbraw/zinc/18/08/66/710180866.db2.gz GHTMIDKCQUPKKP-INIZCTEOSA-N 2 2 331.464 1.352 20 0 EDADLP CCc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528284 710182635 /nfs/dbraw/zinc/18/26/35/710182635.db2.gz LPGPRRIEIPMVDX-INIZCTEOSA-N 2 2 334.464 1.804 20 0 EDADLP CCc1nocc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528284 710182638 /nfs/dbraw/zinc/18/26/38/710182638.db2.gz LPGPRRIEIPMVDX-INIZCTEOSA-N 2 2 334.464 1.804 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001034546256 710219684 /nfs/dbraw/zinc/21/96/84/710219684.db2.gz BWKIUARPYGEPRW-SJORKVTESA-N 2 2 334.464 1.813 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001034546256 710219686 /nfs/dbraw/zinc/21/96/86/710219686.db2.gz BWKIUARPYGEPRW-SJORKVTESA-N 2 2 334.464 1.813 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001034546964 710221023 /nfs/dbraw/zinc/22/10/23/710221023.db2.gz LUWBECLZDXUUIS-MSOLQXFVSA-N 2 2 348.491 1.795 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001034546964 710221025 /nfs/dbraw/zinc/22/10/25/710221025.db2.gz LUWBECLZDXUUIS-MSOLQXFVSA-N 2 2 348.491 1.795 20 0 EDADLP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001034547328 710221293 /nfs/dbraw/zinc/22/12/93/710221293.db2.gz PHYKYWIGIKCXOG-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)CO[C@H](C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001034547328 710221294 /nfs/dbraw/zinc/22/12/94/710221294.db2.gz PHYKYWIGIKCXOG-HOTGVXAUSA-N 2 2 334.464 1.669 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC001003628170 710458213 /nfs/dbraw/zinc/45/82/13/710458213.db2.gz NGCLDHRDMBUNNE-UHFFFAOYSA-N 2 2 333.480 1.233 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC001003628170 710458215 /nfs/dbraw/zinc/45/82/15/710458215.db2.gz NGCLDHRDMBUNNE-UHFFFAOYSA-N 2 2 333.480 1.233 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001003701543 710495409 /nfs/dbraw/zinc/49/54/09/710495409.db2.gz RLDJJPZTPDNORI-UHFFFAOYSA-N 2 2 340.427 1.763 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ncccn2)CC1)[NH+]1CCCCCC1 ZINC001003736877 710518124 /nfs/dbraw/zinc/51/81/24/710518124.db2.gz YPFRXGGUSCGVIK-INIZCTEOSA-N 2 2 345.491 1.822 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC001003740448 710520296 /nfs/dbraw/zinc/52/02/96/710520296.db2.gz KAIYMZISEYEXKG-CYBMUJFWSA-N 2 2 349.479 1.752 20 0 EDADLP Cc1nonc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005590494 710622206 /nfs/dbraw/zinc/62/22/06/710622206.db2.gz AEFLYFQANFWSOF-INIZCTEOSA-N 2 2 335.452 1.285 20 0 EDADLP Cc1nonc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001005590494 710622209 /nfs/dbraw/zinc/62/22/09/710622209.db2.gz AEFLYFQANFWSOF-INIZCTEOSA-N 2 2 335.452 1.285 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nn1C ZINC001005591244 710647980 /nfs/dbraw/zinc/64/79/80/710647980.db2.gz HAQBNWCCESQYKI-GOSISDBHSA-N 2 2 347.507 1.636 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)nn1C ZINC001005591244 710647982 /nfs/dbraw/zinc/64/79/82/710647982.db2.gz HAQBNWCCESQYKI-GOSISDBHSA-N 2 2 347.507 1.636 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001034679223 710660986 /nfs/dbraw/zinc/66/09/86/710660986.db2.gz TXQVRXWPHKIDOW-YYIAUSFCSA-N 2 2 346.475 1.499 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005607138 710690439 /nfs/dbraw/zinc/69/04/39/710690439.db2.gz QRWJVJDQCINLGQ-GJZGRUSLSA-N 2 2 334.464 1.403 20 0 EDADLP CO[C@H](C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1)C1CCCC1 ZINC001003847145 710696074 /nfs/dbraw/zinc/69/60/74/710696074.db2.gz VJCFGMZRALVMMA-MRXNPFEDSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001034744168 710949752 /nfs/dbraw/zinc/94/97/52/710949752.db2.gz NIRSOIQIZUMGEO-DZKIICNBSA-N 2 2 334.464 1.784 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960358 710968275 /nfs/dbraw/zinc/96/82/75/710968275.db2.gz REYLEWQVWPGWLZ-IAGOWNOFSA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960358 710968279 /nfs/dbraw/zinc/96/82/79/710968279.db2.gz REYLEWQVWPGWLZ-IAGOWNOFSA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960358 710968282 /nfs/dbraw/zinc/96/82/82/710968282.db2.gz REYLEWQVWPGWLZ-IAGOWNOFSA-N 2 2 347.507 1.765 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001032960358 710968285 /nfs/dbraw/zinc/96/82/85/710968285.db2.gz REYLEWQVWPGWLZ-IAGOWNOFSA-N 2 2 347.507 1.765 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC001034891712 711348104 /nfs/dbraw/zinc/34/81/04/711348104.db2.gz ZSLWCGBPMQGSTK-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC001034891712 711348109 /nfs/dbraw/zinc/34/81/09/711348109.db2.gz ZSLWCGBPMQGSTK-AEFFLSMTSA-N 2 2 347.459 1.106 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001034956574 711426804 /nfs/dbraw/zinc/42/68/04/711426804.db2.gz VCPZYCJYCYZKSY-HZPDHXFCSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001034956574 711426807 /nfs/dbraw/zinc/42/68/07/711426807.db2.gz VCPZYCJYCYZKSY-HZPDHXFCSA-N 2 2 334.464 1.738 20 0 EDADLP CCCc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001034971363 711451207 /nfs/dbraw/zinc/45/12/07/711451207.db2.gz LBWCPIWUCIICEX-ZIAGYGMSSA-N 2 2 337.468 1.443 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3coc(C4CC4)n3)CC2)C1 ZINC001004150786 711566707 /nfs/dbraw/zinc/56/67/07/711566707.db2.gz TWQZTOVDVIUNCO-CQSZACIVSA-N 2 2 332.448 1.584 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3coc(C4CC4)n3)CC2)C1 ZINC001004150786 711566709 /nfs/dbraw/zinc/56/67/09/711566709.db2.gz TWQZTOVDVIUNCO-CQSZACIVSA-N 2 2 332.448 1.584 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001033146156 712010402 /nfs/dbraw/zinc/01/04/02/712010402.db2.gz OBAJWACMRBWYEP-IRXDYDNUSA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001033146156 712010404 /nfs/dbraw/zinc/01/04/04/712010404.db2.gz OBAJWACMRBWYEP-IRXDYDNUSA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001033146156 712010406 /nfs/dbraw/zinc/01/04/06/712010406.db2.gz OBAJWACMRBWYEP-IRXDYDNUSA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001033146156 712010408 /nfs/dbraw/zinc/01/04/08/712010408.db2.gz OBAJWACMRBWYEP-IRXDYDNUSA-N 2 2 334.464 1.970 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000558504839 306238706 /nfs/dbraw/zinc/23/87/06/306238706.db2.gz IQCLUIKWRCCRLD-GOSISDBHSA-N 2 2 341.459 1.068 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1C[C@@H]([NH+]3CCOCC3)C[C@H]1C)C2 ZINC000329704943 282179759 /nfs/dbraw/zinc/17/97/59/282179759.db2.gz JCDSGPBFEOGTDB-KMFMINBZSA-N 2 2 332.448 1.076 20 0 EDADLP COC[C@@H]([NH3+])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000262296718 536660461 /nfs/dbraw/zinc/66/04/61/536660461.db2.gz NLLXZLBWQYLCCG-ZIAGYGMSSA-N 2 2 343.830 1.706 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[NH+](C2CCOCC2)CC1 ZINC000558646534 306242037 /nfs/dbraw/zinc/24/20/37/306242037.db2.gz YKQOHFANPCFTGJ-UHFFFAOYSA-N 2 2 348.447 1.207 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000152133612 282223625 /nfs/dbraw/zinc/22/36/25/282223625.db2.gz FKDZFWXEMAZEOT-ROUUACIJSA-N 2 2 333.476 1.940 20 0 EDADLP COC[C@H]1C[NH+]([C@@H](C)CC[N@@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298226 539589342 /nfs/dbraw/zinc/58/93/42/539589342.db2.gz VEUTZTJYOBBWTI-FLXSYLCISA-N 2 2 344.496 1.236 20 0 EDADLP COC[C@H]1C[NH+]([C@@H](C)CC[N@H+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298226 539589346 /nfs/dbraw/zinc/58/93/46/539589346.db2.gz VEUTZTJYOBBWTI-FLXSYLCISA-N 2 2 344.496 1.236 20 0 EDADLP COC[C@H]1C[N@H+]([C@@H](C)CC[NH+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298226 539589352 /nfs/dbraw/zinc/58/93/52/539589352.db2.gz VEUTZTJYOBBWTI-FLXSYLCISA-N 2 2 344.496 1.236 20 0 EDADLP COC[C@H]1C[N@@H+]([C@@H](C)CC[NH+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298226 539589357 /nfs/dbraw/zinc/58/93/57/539589357.db2.gz VEUTZTJYOBBWTI-FLXSYLCISA-N 2 2 344.496 1.236 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000343008914 539774662 /nfs/dbraw/zinc/77/46/62/539774662.db2.gz HVYXNXHYPMXFGI-DZGCQCFKSA-N 2 2 349.479 1.032 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000562317059 306295003 /nfs/dbraw/zinc/29/50/03/306295003.db2.gz DDBDPAQSHXGIOQ-UHFFFAOYSA-N 2 2 326.404 1.604 20 0 EDADLP C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562383270 306297381 /nfs/dbraw/zinc/29/73/81/306297381.db2.gz YEZIYOUBLZULGA-CQSZACIVSA-N 2 2 325.416 1.510 20 0 EDADLP c1cc(N2CCOCC2)nc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000153116684 539855465 /nfs/dbraw/zinc/85/54/65/539855465.db2.gz HUHUNCXMRGTOMB-UHFFFAOYSA-N 2 2 331.464 1.625 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC(=O)Nc1ccccc1 ZINC000562838019 306311115 /nfs/dbraw/zinc/31/11/15/306311115.db2.gz YXLFHONOUOPUNN-HOCLYGCPSA-N 2 2 330.432 1.799 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC(=O)Nc1ccccc1 ZINC000562838019 306311116 /nfs/dbraw/zinc/31/11/16/306311116.db2.gz YXLFHONOUOPUNN-HOCLYGCPSA-N 2 2 330.432 1.799 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](CC(N)=O)C1CCCC1)c1ccccc1 ZINC000158274948 539993365 /nfs/dbraw/zinc/99/33/65/539993365.db2.gz FXNUQOKHRWONNO-QGZVFWFLSA-N 2 2 346.475 1.135 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](CC(N)=O)C1CCCC1)c1ccccc1 ZINC000158274948 539993368 /nfs/dbraw/zinc/99/33/68/539993368.db2.gz FXNUQOKHRWONNO-QGZVFWFLSA-N 2 2 346.475 1.135 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369665719 155131735 /nfs/dbraw/zinc/13/17/35/155131735.db2.gz PRHYQSHNUHMAKB-GDBMZVCRSA-N 2 2 344.463 1.928 20 0 EDADLP O=C1C[C@@H](C[NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000563271668 306325720 /nfs/dbraw/zinc/32/57/20/306325720.db2.gz VTDQQKAXIIODCM-ROUUACIJSA-N 2 2 327.472 1.904 20 0 EDADLP O=C1C[C@@H](C[NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)CN1C1CC1 ZINC000563271668 306325721 /nfs/dbraw/zinc/32/57/21/306325721.db2.gz VTDQQKAXIIODCM-ROUUACIJSA-N 2 2 327.472 1.904 20 0 EDADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000178309088 540110187 /nfs/dbraw/zinc/11/01/87/540110187.db2.gz GASWJBXOZXCHPZ-OAHLLOKOSA-N 2 2 337.489 1.973 20 0 EDADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[NH+]1CCOCC1 ZINC000047618240 138122360 /nfs/dbraw/zinc/12/23/60/138122360.db2.gz GCSMFMZBUUWERF-UHFFFAOYSA-N 2 2 348.491 1.660 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H]1CCCO1 ZINC000052102388 138136952 /nfs/dbraw/zinc/13/69/52/138136952.db2.gz PBJXMGLQWCOVNL-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)C[C@@H]1CCCO1 ZINC000052102388 138136955 /nfs/dbraw/zinc/13/69/55/138136955.db2.gz PBJXMGLQWCOVNL-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP CNC(=O)c1cccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c1 ZINC000072963307 138212173 /nfs/dbraw/zinc/21/21/73/138212173.db2.gz VHMDFSDCAFEQPY-UHFFFAOYSA-N 2 2 340.427 1.772 20 0 EDADLP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000072964414 138212401 /nfs/dbraw/zinc/21/24/01/138212401.db2.gz OCHSJPZQZYHZSH-QGZVFWFLSA-N 2 2 331.460 1.590 20 0 EDADLP CNC(=O)c1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000072964414 138212402 /nfs/dbraw/zinc/21/24/02/138212402.db2.gz OCHSJPZQZYHZSH-QGZVFWFLSA-N 2 2 331.460 1.590 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1ccccc1F ZINC000563559276 306338808 /nfs/dbraw/zinc/33/88/08/306338808.db2.gz RJXJGLYQPYEGDE-INIZCTEOSA-N 2 2 345.422 1.947 20 0 EDADLP COc1ccccc1C1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000563584143 306339869 /nfs/dbraw/zinc/33/98/69/306339869.db2.gz KTSQMPSWKKAANP-OAHLLOKOSA-N 2 2 346.475 1.401 20 0 EDADLP COc1ccccc1C1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000563584143 306339870 /nfs/dbraw/zinc/33/98/70/306339870.db2.gz KTSQMPSWKKAANP-OAHLLOKOSA-N 2 2 346.475 1.401 20 0 EDADLP C[NH+]1CCC(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000105142701 138301021 /nfs/dbraw/zinc/30/10/21/138301021.db2.gz QTIALLVOPYYBBV-UHFFFAOYSA-N 2 2 331.464 1.691 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CN2CC[NH+](CC)CC2)CC1 ZINC000124566706 138328005 /nfs/dbraw/zinc/32/80/05/138328005.db2.gz RCXTVVVRWPTUCR-UHFFFAOYSA-N 2 2 330.520 1.962 20 0 EDADLP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000342257969 283217958 /nfs/dbraw/zinc/21/79/58/283217958.db2.gz DHTSRMCRLMAMMG-OAHLLOKOSA-N 2 2 349.479 1.067 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131784096 138365590 /nfs/dbraw/zinc/36/55/90/138365590.db2.gz BIKLTMDKQVDQPP-OAHLLOKOSA-N 2 2 337.379 1.831 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131784096 138365591 /nfs/dbraw/zinc/36/55/91/138365591.db2.gz BIKLTMDKQVDQPP-OAHLLOKOSA-N 2 2 337.379 1.831 20 0 EDADLP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3nc(C)[nH+]cc3C)C2)CC1 ZINC000563975133 306353907 /nfs/dbraw/zinc/35/39/07/306353907.db2.gz DVAXNGAKDMDMQM-SFHVURJKSA-N 2 2 345.491 1.864 20 0 EDADLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3nc(C)[nH+]cc3C)C2)CC1 ZINC000563975133 306353908 /nfs/dbraw/zinc/35/39/08/306353908.db2.gz DVAXNGAKDMDMQM-SFHVURJKSA-N 2 2 345.491 1.864 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496526948 283341878 /nfs/dbraw/zinc/34/18/78/283341878.db2.gz MTHZCCJNQZDNDX-LSDHHAIUSA-N 2 2 329.485 1.678 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC000496526948 283341882 /nfs/dbraw/zinc/34/18/82/283341882.db2.gz MTHZCCJNQZDNDX-LSDHHAIUSA-N 2 2 329.485 1.678 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000268923290 283352688 /nfs/dbraw/zinc/35/26/88/283352688.db2.gz PJSXNEDGBITCRU-HZPDHXFCSA-N 2 2 335.423 1.969 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000268923290 283352692 /nfs/dbraw/zinc/35/26/92/283352692.db2.gz PJSXNEDGBITCRU-HZPDHXFCSA-N 2 2 335.423 1.969 20 0 EDADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000564323576 306358259 /nfs/dbraw/zinc/35/82/59/306358259.db2.gz SQWMYZATLDNHBQ-OAHLLOKOSA-N 2 2 329.435 1.954 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000564784400 306364391 /nfs/dbraw/zinc/36/43/91/306364391.db2.gz VHYAODNLMWWHQA-CYBMUJFWSA-N 2 2 329.404 1.031 20 0 EDADLP Cc1cnc(CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C)c1 ZINC000564897644 306368801 /nfs/dbraw/zinc/36/88/01/306368801.db2.gz UTJHYDUSUXNHHY-UHFFFAOYSA-N 2 2 330.476 1.481 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC[C@H]2C2CCC2)CC1 ZINC000564898922 306368855 /nfs/dbraw/zinc/36/88/55/306368855.db2.gz RAFMQFAOCNLDQN-KRWDZBQOSA-N 2 2 338.496 1.223 20 0 EDADLP CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000565301110 306381220 /nfs/dbraw/zinc/38/12/20/306381220.db2.gz LNPPMYZZIVWPJK-GOSISDBHSA-N 2 2 346.475 1.379 20 0 EDADLP Cc1cc(NC(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC000119679348 201081218 /nfs/dbraw/zinc/08/12/18/201081218.db2.gz WDZTZWTYBAZGSE-XYPWUTKMSA-N 2 2 347.463 1.164 20 0 EDADLP Cc1cc(NC(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)no1 ZINC000119679348 201081221 /nfs/dbraw/zinc/08/12/21/201081221.db2.gz WDZTZWTYBAZGSE-XYPWUTKMSA-N 2 2 347.463 1.164 20 0 EDADLP CC1CC[NH+](CCNC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000049007293 201112946 /nfs/dbraw/zinc/11/29/46/201112946.db2.gz BAPWFWUPZQYRLQ-UHFFFAOYSA-N 2 2 342.447 1.798 20 0 EDADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000565784518 306391905 /nfs/dbraw/zinc/39/19/05/306391905.db2.gz XPTLQMWJTQTPNQ-HRCADAONSA-N 2 2 337.851 1.090 20 0 EDADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000565784518 306391906 /nfs/dbraw/zinc/39/19/06/306391906.db2.gz XPTLQMWJTQTPNQ-HRCADAONSA-N 2 2 337.851 1.090 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCCC[NH3+] ZINC000565895928 306394387 /nfs/dbraw/zinc/39/43/87/306394387.db2.gz YGVIDRISQIMKIO-KRWDZBQOSA-N 2 2 333.476 1.865 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1c[nH+]cn1C)c1ccnn1C ZINC000345307712 299356199 /nfs/dbraw/zinc/35/61/99/299356199.db2.gz SDZCHQZITWFDFY-WRSAYESZSA-N 2 2 342.447 1.699 20 0 EDADLP CO[C@H](C)CCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000181565298 294224890 /nfs/dbraw/zinc/22/48/90/294224890.db2.gz XDXVAIAHZSQLGG-MRXNPFEDSA-N 2 2 325.497 1.868 20 0 EDADLP CS(=O)(=O)c1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000414771300 304139089 /nfs/dbraw/zinc/13/90/89/304139089.db2.gz PFCASCPPALWPRM-CYBMUJFWSA-N 2 2 328.503 1.973 20 0 EDADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415092257 304158452 /nfs/dbraw/zinc/15/84/52/304158452.db2.gz FUPRKOJURTWRSN-JSGCOSHPSA-N 2 2 325.840 1.944 20 0 EDADLP COC(=O)[C@H](C(OC)OC)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000373118558 284244365 /nfs/dbraw/zinc/24/43/65/284244365.db2.gz SPWNSEHATGVMFZ-DZGCQCFKSA-N 2 2 340.464 1.343 20 0 EDADLP COC(=O)[C@H](C(OC)OC)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373118558 284244369 /nfs/dbraw/zinc/24/43/69/284244369.db2.gz SPWNSEHATGVMFZ-DZGCQCFKSA-N 2 2 340.464 1.343 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(C)c3ccccc3)C2)CC1 ZINC000107368387 204233354 /nfs/dbraw/zinc/23/33/54/204233354.db2.gz YNVIDXMAYAYSNV-SFHVURJKSA-N 2 2 330.476 1.361 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(C)c3ccccc3)C2)CC1 ZINC000107368387 204233359 /nfs/dbraw/zinc/23/33/59/204233359.db2.gz YNVIDXMAYAYSNV-SFHVURJKSA-N 2 2 330.476 1.361 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc[nH+]cc2C)CC1=O ZINC000107359798 204234277 /nfs/dbraw/zinc/23/42/77/204234277.db2.gz CVQKZJJGTUUQCW-HUUCEWRRSA-N 2 2 330.432 1.661 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc[nH+]cc2C)CC1=O ZINC000107359798 204234280 /nfs/dbraw/zinc/23/42/80/204234280.db2.gz CVQKZJJGTUUQCW-HUUCEWRRSA-N 2 2 330.432 1.661 20 0 EDADLP C[N@H+](Cc1ccc(Cl)nc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000125745251 205024547 /nfs/dbraw/zinc/02/45/47/205024547.db2.gz UBBUQRSQJGKQLB-UHFFFAOYSA-N 2 2 346.866 1.909 20 0 EDADLP C[N@@H+](Cc1ccc(Cl)nc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000125745251 205024550 /nfs/dbraw/zinc/02/45/50/205024550.db2.gz UBBUQRSQJGKQLB-UHFFFAOYSA-N 2 2 346.866 1.909 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000495913965 284349503 /nfs/dbraw/zinc/34/95/03/284349503.db2.gz XWPPNBJDDKCPAC-PMPSAXMXSA-N 2 2 341.496 1.773 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000495913965 284349505 /nfs/dbraw/zinc/34/95/05/284349505.db2.gz XWPPNBJDDKCPAC-PMPSAXMXSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000495913965 284349506 /nfs/dbraw/zinc/34/95/06/284349506.db2.gz XWPPNBJDDKCPAC-PMPSAXMXSA-N 2 2 341.496 1.773 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000495913965 284349508 /nfs/dbraw/zinc/34/95/08/284349508.db2.gz XWPPNBJDDKCPAC-PMPSAXMXSA-N 2 2 341.496 1.773 20 0 EDADLP COC(=O)c1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129630057 205204426 /nfs/dbraw/zinc/20/44/26/205204426.db2.gz HPUYQNSULIMFCO-INIZCTEOSA-N 2 2 348.443 1.506 20 0 EDADLP COC(=O)c1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129630057 205204430 /nfs/dbraw/zinc/20/44/30/205204430.db2.gz HPUYQNSULIMFCO-INIZCTEOSA-N 2 2 348.443 1.506 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130488563 205241392 /nfs/dbraw/zinc/24/13/92/205241392.db2.gz YQWWJEOJRYOVIP-RYRKJORJSA-N 3 2 331.508 1.652 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130488563 205241397 /nfs/dbraw/zinc/24/13/97/205241397.db2.gz YQWWJEOJRYOVIP-RYRKJORJSA-N 3 2 331.508 1.652 20 0 EDADLP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cc[nH+]c2)nc1 ZINC000131417862 205288244 /nfs/dbraw/zinc/28/82/44/205288244.db2.gz YOBOVPGQAOWRLA-MRXNPFEDSA-N 2 2 343.431 1.234 20 0 EDADLP O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2cc[nH+]c2)nc1 ZINC000131417862 205288248 /nfs/dbraw/zinc/28/82/48/205288248.db2.gz YOBOVPGQAOWRLA-MRXNPFEDSA-N 2 2 343.431 1.234 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000131716089 205301212 /nfs/dbraw/zinc/30/12/12/205301212.db2.gz FJJQMLKMMLOZHJ-ROUUACIJSA-N 2 2 333.476 1.595 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000131716089 205301215 /nfs/dbraw/zinc/30/12/15/205301215.db2.gz FJJQMLKMMLOZHJ-ROUUACIJSA-N 2 2 333.476 1.595 20 0 EDADLP CC[N@H+](C)CC[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000158224171 205308047 /nfs/dbraw/zinc/30/80/47/205308047.db2.gz WDCGHAOYUUIRHF-HUUCEWRRSA-N 2 2 329.485 1.942 20 0 EDADLP CC[N@@H+](C)CC[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000158224171 205308052 /nfs/dbraw/zinc/30/80/52/205308052.db2.gz WDCGHAOYUUIRHF-HUUCEWRRSA-N 2 2 329.485 1.942 20 0 EDADLP C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)C[NH+]1CCOCC1 ZINC000134095271 205391486 /nfs/dbraw/zinc/39/14/86/205391486.db2.gz JNEMNCLKHGQAAR-MRXNPFEDSA-N 2 2 342.443 1.630 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111456290 220158111 /nfs/dbraw/zinc/15/81/11/220158111.db2.gz SJQXEALKUKWPOP-QGZVFWFLSA-N 2 2 340.512 1.663 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000237828529 139061427 /nfs/dbraw/zinc/06/14/27/139061427.db2.gz OZNZMZXJWYWXGO-LJQANCHMSA-N 2 2 339.439 1.835 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000111824439 220200003 /nfs/dbraw/zinc/20/00/03/220200003.db2.gz BNZMDCGAESLUNZ-HNNXBMFYSA-N 2 2 335.452 1.294 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000111824439 220200006 /nfs/dbraw/zinc/20/00/06/220200006.db2.gz BNZMDCGAESLUNZ-HNNXBMFYSA-N 2 2 335.452 1.294 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccccn1 ZINC000158595544 206200199 /nfs/dbraw/zinc/20/01/99/206200199.db2.gz VREOOSGLZBVPRK-INIZCTEOSA-N 2 2 326.448 1.735 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246359534 139105521 /nfs/dbraw/zinc/10/55/21/139105521.db2.gz KJLRAQDMFRAJPO-SJORKVTESA-N 2 2 333.476 1.762 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246359534 139105522 /nfs/dbraw/zinc/10/55/22/139105522.db2.gz KJLRAQDMFRAJPO-SJORKVTESA-N 2 2 333.476 1.762 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246911799 139126676 /nfs/dbraw/zinc/12/66/76/139126676.db2.gz GHDFRVWBFKIZPS-QXAKKESOSA-N 2 2 335.492 1.915 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246911799 139126677 /nfs/dbraw/zinc/12/66/77/139126677.db2.gz GHDFRVWBFKIZPS-QXAKKESOSA-N 2 2 335.492 1.915 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000247033685 139132459 /nfs/dbraw/zinc/13/24/59/139132459.db2.gz RFZKALVTDOKUGW-CVEARBPZSA-N 2 2 348.491 1.170 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000247033685 139132460 /nfs/dbraw/zinc/13/24/60/139132460.db2.gz RFZKALVTDOKUGW-CVEARBPZSA-N 2 2 348.491 1.170 20 0 EDADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000247033685 139132461 /nfs/dbraw/zinc/13/24/61/139132461.db2.gz RFZKALVTDOKUGW-CVEARBPZSA-N 2 2 348.491 1.170 20 0 EDADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C1 ZINC000247033685 139132462 /nfs/dbraw/zinc/13/24/62/139132462.db2.gz RFZKALVTDOKUGW-CVEARBPZSA-N 2 2 348.491 1.170 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248680955 139171436 /nfs/dbraw/zinc/17/14/36/139171436.db2.gz FMVGDQZMAOVWMQ-ZFWWWQNUSA-N 2 2 331.420 1.876 20 0 EDADLP CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248680955 139171437 /nfs/dbraw/zinc/17/14/37/139171437.db2.gz FMVGDQZMAOVWMQ-ZFWWWQNUSA-N 2 2 331.420 1.876 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000249170695 139188393 /nfs/dbraw/zinc/18/83/93/139188393.db2.gz LFUBDOMTEWKENA-JSGCOSHPSA-N 2 2 334.420 1.217 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC000249170695 139188394 /nfs/dbraw/zinc/18/83/94/139188394.db2.gz LFUBDOMTEWKENA-JSGCOSHPSA-N 2 2 334.420 1.217 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249550709 139195447 /nfs/dbraw/zinc/19/54/47/139195447.db2.gz HVWKPCPYEXLMOZ-XLIONFOSSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249550709 139195448 /nfs/dbraw/zinc/19/54/48/139195448.db2.gz HVWKPCPYEXLMOZ-XLIONFOSSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249550709 139195449 /nfs/dbraw/zinc/19/54/49/139195449.db2.gz HVWKPCPYEXLMOZ-XLIONFOSSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)CNC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249550709 139195450 /nfs/dbraw/zinc/19/54/50/139195450.db2.gz HVWKPCPYEXLMOZ-XLIONFOSSA-N 2 2 347.503 1.716 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000261821128 139228932 /nfs/dbraw/zinc/22/89/32/139228932.db2.gz HJKBFRAWNLDPGU-INIZCTEOSA-N 2 2 341.839 1.383 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000261821128 139228933 /nfs/dbraw/zinc/22/89/33/139228933.db2.gz HJKBFRAWNLDPGU-INIZCTEOSA-N 2 2 341.839 1.383 20 0 EDADLP Cc1ccc(O)c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)n1 ZINC000261854479 139231628 /nfs/dbraw/zinc/23/16/28/139231628.db2.gz XRRSCKBCIGNDNO-UHFFFAOYSA-N 2 2 328.420 1.170 20 0 EDADLP Cc1ccc(-c2cc(C[N@H+](C)CC(=O)N3CC[NH2+]CC3)on2)cc1 ZINC000261869383 139232842 /nfs/dbraw/zinc/23/28/42/139232842.db2.gz LDQXRUQBCNAORI-UHFFFAOYSA-N 2 2 328.416 1.514 20 0 EDADLP Cc1ccc(-c2cc(C[N@@H+](C)CC(=O)N3CC[NH2+]CC3)on2)cc1 ZINC000261869383 139232843 /nfs/dbraw/zinc/23/28/43/139232843.db2.gz LDQXRUQBCNAORI-UHFFFAOYSA-N 2 2 328.416 1.514 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262016919 139244098 /nfs/dbraw/zinc/24/40/98/139244098.db2.gz RHWXWPKTROSPMG-INIZCTEOSA-N 2 2 327.432 1.965 20 0 EDADLP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC000262054029 139246918 /nfs/dbraw/zinc/24/69/18/139246918.db2.gz ZXEGVCGVLSSIIJ-GOEBONIOSA-N 2 2 348.495 1.113 20 0 EDADLP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC000262054029 139246919 /nfs/dbraw/zinc/24/69/19/139246919.db2.gz ZXEGVCGVLSSIIJ-GOEBONIOSA-N 2 2 348.495 1.113 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000262094017 139250537 /nfs/dbraw/zinc/25/05/37/139250537.db2.gz BADPXVZIRZYFFR-IYOUNJFTSA-N 2 2 334.464 1.829 20 0 EDADLP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174714398 207049276 /nfs/dbraw/zinc/04/92/76/207049276.db2.gz ZENSCEKJETXBOY-HNNXBMFYSA-N 2 2 344.463 1.762 20 0 EDADLP C[NH2+]CC1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000416880736 251117752 /nfs/dbraw/zinc/11/77/52/251117752.db2.gz GKXBHUKBUHHANV-UHFFFAOYSA-N 2 2 329.448 1.986 20 0 EDADLP CO[C@H]1CCN(C(=O)NCCn2c(C)[nH+]c3ccccc32)[C@@H](C[NH3+])C1 ZINC000416880809 251117887 /nfs/dbraw/zinc/11/78/87/251117887.db2.gz GRNBKDCMKVLACW-CABCVRRESA-N 2 2 345.447 1.492 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262323182 139270200 /nfs/dbraw/zinc/27/02/00/139270200.db2.gz CZFCEGFMIPBPLR-DAXOMENPSA-N 2 2 337.851 1.268 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000417005336 251126416 /nfs/dbraw/zinc/12/64/16/251126416.db2.gz YBAJBZJAEAFYAU-SJLPKXTDSA-N 2 2 348.491 1.666 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000417272181 251151609 /nfs/dbraw/zinc/15/16/09/251151609.db2.gz SWMGYZVUBCYUIF-DOMZBBRYSA-N 2 2 331.395 1.809 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417590071 251199446 /nfs/dbraw/zinc/19/94/46/251199446.db2.gz BHGGGBATYGDZGR-AEFFLSMTSA-N 2 2 348.491 1.227 20 0 EDADLP CCO[C@H](CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000175839833 207163790 /nfs/dbraw/zinc/16/37/90/207163790.db2.gz IUCUUFQFBBSIOB-QGZVFWFLSA-N 2 2 342.528 1.763 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262433041 139278738 /nfs/dbraw/zinc/27/87/38/139278738.db2.gz RVMWUXGFSAMSJM-HOTGVXAUSA-N 2 2 331.460 1.728 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000417944643 251317670 /nfs/dbraw/zinc/31/76/70/251317670.db2.gz CNMUPODUDVERDE-JKSUJKDBSA-N 2 2 338.402 1.715 20 0 EDADLP [NH3+]CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000262670968 139295176 /nfs/dbraw/zinc/29/51/76/139295176.db2.gz QXPQTDYYYDESIB-UHFFFAOYSA-N 2 2 338.455 1.902 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1CCC[NH2+]1 ZINC000422896539 252015702 /nfs/dbraw/zinc/01/57/02/252015702.db2.gz AIUXNIWJMGJRFI-OLMNPRSZSA-N 2 2 331.460 1.826 20 0 EDADLP C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCC[NH2+]1 ZINC000422862559 252004087 /nfs/dbraw/zinc/00/40/87/252004087.db2.gz QDNMROZUZXWJBL-CZUORRHYSA-N 2 2 326.462 1.589 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000423008019 252025477 /nfs/dbraw/zinc/02/54/77/252025477.db2.gz ZCQBACHSQXVZQH-FRRDWIJNSA-N 2 2 332.491 1.003 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423153327 252039174 /nfs/dbraw/zinc/03/91/74/252039174.db2.gz NDKFSYMLDHOIHX-JKSUJKDBSA-N 2 2 325.478 1.687 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)C1 ZINC000423319442 252045671 /nfs/dbraw/zinc/04/56/71/252045671.db2.gz ZXVYYIQUGWGOEY-NVXWUHKLSA-N 2 2 341.459 1.367 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000422905754 252018977 /nfs/dbraw/zinc/01/89/77/252018977.db2.gz SQQSZQXIAXPJSS-WMLDXEAASA-N 2 2 339.505 1.602 20 0 EDADLP O=C(C[C@H]1COCC[NH2+]1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423855317 252092955 /nfs/dbraw/zinc/09/29/55/252092955.db2.gz WKYXZCMMNKQGKZ-HNNXBMFYSA-N 2 2 338.411 1.919 20 0 EDADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424154791 252148055 /nfs/dbraw/zinc/14/80/55/252148055.db2.gz LYWQEDUWKQHXIP-CQSZACIVSA-N 2 2 337.387 1.845 20 0 EDADLP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262924080 139313078 /nfs/dbraw/zinc/31/30/78/139313078.db2.gz HFJIGFYJVIHSSM-AWEZNQCLSA-N 2 2 327.375 1.240 20 0 EDADLP CN(C)c1ccc(CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000424129028 252134484 /nfs/dbraw/zinc/13/44/84/252134484.db2.gz FVJWWDQHGKAKRS-ZDUSSCGKSA-N 2 2 328.420 1.268 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000424337424 252198180 /nfs/dbraw/zinc/19/81/80/252198180.db2.gz RRPXBGXYZXBORA-HZPDHXFCSA-N 3 2 336.505 1.252 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000424337424 252198182 /nfs/dbraw/zinc/19/81/82/252198182.db2.gz RRPXBGXYZXBORA-HZPDHXFCSA-N 2 2 336.505 1.252 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCO1 ZINC000426041906 252314599 /nfs/dbraw/zinc/31/45/99/252314599.db2.gz AKOXZGCCCRKXLF-LSDHHAIUSA-N 2 2 328.501 1.373 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCO1 ZINC000426041906 252314604 /nfs/dbraw/zinc/31/46/04/252314604.db2.gz AKOXZGCCCRKXLF-LSDHHAIUSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478303 296344716 /nfs/dbraw/zinc/34/47/16/296344716.db2.gz CLZXDXCWLTWDRA-ZACQAIPSSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478303 296344720 /nfs/dbraw/zinc/34/47/20/296344720.db2.gz CLZXDXCWLTWDRA-ZACQAIPSSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263263890 139331835 /nfs/dbraw/zinc/33/18/35/139331835.db2.gz RGIUTDZHSQSLMO-GGPKGHCWSA-N 2 2 345.487 1.911 20 0 EDADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263263890 139331836 /nfs/dbraw/zinc/33/18/36/139331836.db2.gz RGIUTDZHSQSLMO-GGPKGHCWSA-N 2 2 345.487 1.911 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415723604 304261612 /nfs/dbraw/zinc/26/16/12/304261612.db2.gz MFGBAJWPSDGSOZ-GFCCVEGCSA-N 2 2 345.369 1.656 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)N1CC[NH+](Cc2cccs2)CC1 ZINC000459796262 255002810 /nfs/dbraw/zinc/00/28/10/255002810.db2.gz QAZNNANXBKQMQW-ZFWWWQNUSA-N 2 2 337.514 1.582 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)N1CC[NH+](Cc2cccs2)CC1 ZINC000459796262 255002812 /nfs/dbraw/zinc/00/28/12/255002812.db2.gz QAZNNANXBKQMQW-ZFWWWQNUSA-N 2 2 337.514 1.582 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)C1 ZINC000488502882 255044731 /nfs/dbraw/zinc/04/47/31/255044731.db2.gz ISETZUXDHRWLFH-XKLVTHTNSA-N 2 2 333.480 1.239 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)C1 ZINC000488502882 255044732 /nfs/dbraw/zinc/04/47/32/255044732.db2.gz ISETZUXDHRWLFH-XKLVTHTNSA-N 2 2 333.480 1.239 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000492365548 255173121 /nfs/dbraw/zinc/17/31/21/255173121.db2.gz LDDCDOXKYDKKJG-GJBLVYBDSA-N 2 2 334.420 1.012 20 0 EDADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000492365548 255173122 /nfs/dbraw/zinc/17/31/22/255173122.db2.gz LDDCDOXKYDKKJG-GJBLVYBDSA-N 2 2 334.420 1.012 20 0 EDADLP [NH3+]CC1(O)CCN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000493468566 255210430 /nfs/dbraw/zinc/21/04/30/255210430.db2.gz QZOBERZYAAOUGJ-UTCJRWHESA-N 2 2 326.400 1.198 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000493558059 255215429 /nfs/dbraw/zinc/21/54/29/255215429.db2.gz QJJZLWFPOOVKHT-GBXSZLQWSA-N 2 2 338.249 1.564 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000493187063 255195227 /nfs/dbraw/zinc/19/52/27/255195227.db2.gz LVOBMKANGXBSMK-KTRBRXNASA-N 2 2 325.359 1.403 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000493187063 255195228 /nfs/dbraw/zinc/19/52/28/255195228.db2.gz LVOBMKANGXBSMK-KTRBRXNASA-N 2 2 325.359 1.403 20 0 EDADLP CC[C@@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000495201726 255272717 /nfs/dbraw/zinc/27/27/17/255272717.db2.gz LORDLISTYYLBBM-QGZVFWFLSA-N 2 2 337.489 1.239 20 0 EDADLP CC[C@@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000495201726 255272718 /nfs/dbraw/zinc/27/27/18/255272718.db2.gz LORDLISTYYLBBM-QGZVFWFLSA-N 2 2 337.489 1.239 20 0 EDADLP Fc1cncc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000494608893 255255749 /nfs/dbraw/zinc/25/57/49/255255749.db2.gz MGBSGVKDCGDYKE-UHFFFAOYSA-N 2 2 330.411 1.313 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496459549 255394175 /nfs/dbraw/zinc/39/41/75/255394175.db2.gz IKIPBEKSZLSORN-PESDSKBTSA-N 2 2 327.469 1.429 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496459549 255394176 /nfs/dbraw/zinc/39/41/76/255394176.db2.gz IKIPBEKSZLSORN-PESDSKBTSA-N 2 2 327.469 1.429 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496459549 255394177 /nfs/dbraw/zinc/39/41/77/255394177.db2.gz IKIPBEKSZLSORN-PESDSKBTSA-N 2 2 327.469 1.429 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496459549 255394178 /nfs/dbraw/zinc/39/41/78/255394178.db2.gz IKIPBEKSZLSORN-PESDSKBTSA-N 2 2 327.469 1.429 20 0 EDADLP COC(=O)c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000119523306 221339072 /nfs/dbraw/zinc/33/90/72/221339072.db2.gz QZEFKBZOTYHBHN-XYPWUTKMSA-N 2 2 347.459 1.809 20 0 EDADLP COC(=O)c1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000119523306 221339075 /nfs/dbraw/zinc/33/90/75/221339075.db2.gz QZEFKBZOTYHBHN-XYPWUTKMSA-N 2 2 347.459 1.809 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264343185 139398823 /nfs/dbraw/zinc/39/88/23/139398823.db2.gz VVHYAMSUYHDRSL-SFHVURJKSA-N 2 2 326.444 1.954 20 0 EDADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264343185 139398824 /nfs/dbraw/zinc/39/88/24/139398824.db2.gz VVHYAMSUYHDRSL-SFHVURJKSA-N 2 2 326.444 1.954 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269834751 140003242 /nfs/dbraw/zinc/00/32/42/140003242.db2.gz ACKQPKYTTKWEQI-AWEZNQCLSA-N 2 2 326.404 1.467 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000269986961 140029168 /nfs/dbraw/zinc/02/91/68/140029168.db2.gz ROSKICJKGPZUPE-PMPSAXMXSA-N 2 2 329.448 1.586 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000269986961 140029170 /nfs/dbraw/zinc/02/91/70/140029170.db2.gz ROSKICJKGPZUPE-PMPSAXMXSA-N 2 2 329.448 1.586 20 0 EDADLP C[N@@H+]1CCN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000270888811 140190962 /nfs/dbraw/zinc/19/09/62/140190962.db2.gz GYEJQIIDPVSBRX-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP C[N@H+]1CCN(C(=O)C[C@H]2C[NH+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000270888811 140190963 /nfs/dbraw/zinc/19/09/63/140190963.db2.gz GYEJQIIDPVSBRX-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+]1CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000270888811 140190965 /nfs/dbraw/zinc/19/09/65/140190965.db2.gz GYEJQIIDPVSBRX-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+]1CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C(C)(C)C1 ZINC000270888811 140190967 /nfs/dbraw/zinc/19/09/67/140190967.db2.gz GYEJQIIDPVSBRX-SFHVURJKSA-N 2 2 345.487 1.830 20 0 EDADLP CCNC(=O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271256823 140265468 /nfs/dbraw/zinc/26/54/68/140265468.db2.gz ISZDRCJTKXVQJL-SFHVURJKSA-N 2 2 330.476 1.015 20 0 EDADLP CCNC(=O)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271256823 140265470 /nfs/dbraw/zinc/26/54/70/140265470.db2.gz ISZDRCJTKXVQJL-SFHVURJKSA-N 2 2 330.476 1.015 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCCCn3cc[nH+]c3C)ccc2[nH+]1 ZINC000271595469 140317108 /nfs/dbraw/zinc/31/71/08/140317108.db2.gz KJEBEYJGPWAMDD-UHFFFAOYSA-N 2 2 340.387 1.293 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271623470 140322264 /nfs/dbraw/zinc/32/22/64/140322264.db2.gz ITNANZDTKWZDLJ-CYBMUJFWSA-N 2 2 331.420 1.428 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000271623470 140322266 /nfs/dbraw/zinc/32/22/66/140322266.db2.gz ITNANZDTKWZDLJ-CYBMUJFWSA-N 2 2 331.420 1.428 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@](C)(O)c2cccs2)CC1 ZINC000271836635 140358609 /nfs/dbraw/zinc/35/86/09/140358609.db2.gz SAOBQFXSRCCMCQ-QGZVFWFLSA-N 2 2 340.489 1.963 20 0 EDADLP Cn1cnc2cc(C[NH+]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)ccc21 ZINC000271887641 140367310 /nfs/dbraw/zinc/36/73/10/140367310.db2.gz WGHFLHPIDBXWPI-SFHVURJKSA-N 2 2 341.459 1.312 20 0 EDADLP Cn1cnc2cc(C[NH+]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)ccc21 ZINC000271887641 140367312 /nfs/dbraw/zinc/36/73/12/140367312.db2.gz WGHFLHPIDBXWPI-SFHVURJKSA-N 2 2 341.459 1.312 20 0 EDADLP CO[C@@H](C)c1noc(CN2CCC[N@H+](CCCn3cc[nH+]c3)CC2)n1 ZINC000271892295 140368168 /nfs/dbraw/zinc/36/81/68/140368168.db2.gz FBUHAKIXRYJHSO-HNNXBMFYSA-N 2 2 348.451 1.572 20 0 EDADLP CO[C@@H](C)c1noc(CN2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)n1 ZINC000271892295 140368169 /nfs/dbraw/zinc/36/81/69/140368169.db2.gz FBUHAKIXRYJHSO-HNNXBMFYSA-N 2 2 348.451 1.572 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)c[nH+]2)CCO1 ZINC000332023863 141112194 /nfs/dbraw/zinc/11/21/94/141112194.db2.gz GNNKVCWXMVBOOY-ILXRZTDVSA-N 2 2 347.463 1.199 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@@H]1C ZINC000332334495 141164074 /nfs/dbraw/zinc/16/40/74/141164074.db2.gz UHSPPNFEEPRUQL-KBPBESRZSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@@H]1C ZINC000332334495 141164075 /nfs/dbraw/zinc/16/40/75/141164075.db2.gz UHSPPNFEEPRUQL-KBPBESRZSA-N 2 2 347.463 1.057 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000332506209 141192846 /nfs/dbraw/zinc/19/28/46/141192846.db2.gz BNCPJYUFGWZZJK-DLBZAZTESA-N 2 2 334.439 1.923 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)cc[nH+]1 ZINC000332519897 141195173 /nfs/dbraw/zinc/19/51/73/141195173.db2.gz BSTLEPNLJMJEDS-LSDHHAIUSA-N 2 2 332.452 1.134 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000332543424 141199893 /nfs/dbraw/zinc/19/98/93/141199893.db2.gz LXDNNGGYIWKCOF-GDBMZVCRSA-N 2 2 331.464 1.962 20 0 EDADLP Cc1cn2cc(NC(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)ccc2[nH+]1 ZINC000333150398 141272595 /nfs/dbraw/zinc/27/25/95/141272595.db2.gz MHUUIGFQIVQPKA-OAHLLOKOSA-N 2 2 328.420 1.154 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000333303349 141295760 /nfs/dbraw/zinc/29/57/60/141295760.db2.gz QKULGHDHNHKBAS-MGPQQGTHSA-N 2 2 343.518 1.631 20 0 EDADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000333316842 141298177 /nfs/dbraw/zinc/29/81/77/141298177.db2.gz SXVRDFKNLHDCCR-GJZGRUSLSA-N 2 2 338.477 1.259 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000333645319 141349726 /nfs/dbraw/zinc/34/97/26/141349726.db2.gz IXYJJALTLGPPOJ-KGLIPLIRSA-N 2 2 337.493 1.630 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000333645319 141349728 /nfs/dbraw/zinc/34/97/28/141349728.db2.gz IXYJJALTLGPPOJ-KGLIPLIRSA-N 2 2 337.493 1.630 20 0 EDADLP CO[C@H]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000339545338 142072684 /nfs/dbraw/zinc/07/26/84/142072684.db2.gz JWNXUTBKBYLENK-MSOLQXFVSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000339779753 142153494 /nfs/dbraw/zinc/15/34/94/142153494.db2.gz UTEBIZRRQMPWOC-HKUYNNGSSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000339779753 142153496 /nfs/dbraw/zinc/15/34/96/142153496.db2.gz UTEBIZRRQMPWOC-HKUYNNGSSA-N 2 2 345.487 1.739 20 0 EDADLP COC(=O)CN1CCC([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000344775298 143010501 /nfs/dbraw/zinc/01/05/01/143010501.db2.gz WBMOCFZJGBVLBE-UHFFFAOYSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2cncs2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000344918014 143026755 /nfs/dbraw/zinc/02/67/55/143026755.db2.gz BZLFQZJOMIGOOB-CQSZACIVSA-N 2 2 336.505 1.703 20 0 EDADLP C[C@@H]1CN(C(=O)CCc2cncs2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000344918014 143026756 /nfs/dbraw/zinc/02/67/56/143026756.db2.gz BZLFQZJOMIGOOB-CQSZACIVSA-N 2 2 336.505 1.703 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000346208873 143179185 /nfs/dbraw/zinc/17/91/85/143179185.db2.gz NUFVEWUKVMGXPK-UHFFFAOYSA-N 3 2 329.448 1.464 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000346208873 143179186 /nfs/dbraw/zinc/17/91/86/143179186.db2.gz NUFVEWUKVMGXPK-UHFFFAOYSA-N 3 2 329.448 1.464 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000346214248 143179604 /nfs/dbraw/zinc/17/96/04/143179604.db2.gz FQMSLLKIMJCRAP-UHFFFAOYSA-N 2 2 334.329 1.589 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000346214248 143179605 /nfs/dbraw/zinc/17/96/05/143179605.db2.gz FQMSLLKIMJCRAP-UHFFFAOYSA-N 2 2 334.329 1.589 20 0 EDADLP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C[C@@H](C)C1 ZINC000346242145 143182684 /nfs/dbraw/zinc/18/26/84/143182684.db2.gz RKSFQSXQIQTJLF-DKKFBQAASA-N 2 2 349.519 1.676 20 0 EDADLP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C[C@@H](C)C1 ZINC000346242145 143182685 /nfs/dbraw/zinc/18/26/85/143182685.db2.gz RKSFQSXQIQTJLF-DKKFBQAASA-N 2 2 349.519 1.676 20 0 EDADLP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@@H](C)C1 ZINC000346242145 143182686 /nfs/dbraw/zinc/18/26/86/143182686.db2.gz RKSFQSXQIQTJLF-DKKFBQAASA-N 2 2 349.519 1.676 20 0 EDADLP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@@H](C)C1 ZINC000346242145 143182687 /nfs/dbraw/zinc/18/26/87/143182687.db2.gz RKSFQSXQIQTJLF-DKKFBQAASA-N 2 2 349.519 1.676 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)CCO1 ZINC000346663057 143228505 /nfs/dbraw/zinc/22/85/05/143228505.db2.gz WFGYSBZHDDSLBJ-GVDBMIGSSA-N 2 2 346.475 1.381 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C)CCO1 ZINC000346663057 143228506 /nfs/dbraw/zinc/22/85/06/143228506.db2.gz WFGYSBZHDDSLBJ-GVDBMIGSSA-N 2 2 346.475 1.381 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000346827205 143249464 /nfs/dbraw/zinc/24/94/64/143249464.db2.gz FZYRCMHSCUSIDI-KSZLIROESA-N 2 2 336.524 1.108 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000346827205 143249465 /nfs/dbraw/zinc/24/94/65/143249465.db2.gz FZYRCMHSCUSIDI-KSZLIROESA-N 2 2 336.524 1.108 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)[NH+](CC)CC ZINC000346949056 143265298 /nfs/dbraw/zinc/26/52/98/143265298.db2.gz MAWCOGXKDDVRPN-GJZGRUSLSA-N 2 2 348.495 1.724 20 0 EDADLP CC[C@@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)[NH+](CC)CC ZINC000346949056 143265299 /nfs/dbraw/zinc/26/52/99/143265299.db2.gz MAWCOGXKDDVRPN-GJZGRUSLSA-N 2 2 348.495 1.724 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)[N@H+](C)C1CC1 ZINC000347092179 143281743 /nfs/dbraw/zinc/28/17/43/143281743.db2.gz LRCLWFZUEQRMCD-CZUORRHYSA-N 2 2 349.479 1.670 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)[N@@H+](C)C1CC1 ZINC000347092179 143281744 /nfs/dbraw/zinc/28/17/44/143281744.db2.gz LRCLWFZUEQRMCD-CZUORRHYSA-N 2 2 349.479 1.670 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000347165108 143289924 /nfs/dbraw/zinc/28/99/24/143289924.db2.gz YKTGEDBGOFBDNL-HEHGZKQESA-N 2 2 325.478 1.586 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1 ZINC000347165108 143289925 /nfs/dbraw/zinc/28/99/25/143289925.db2.gz YKTGEDBGOFBDNL-HEHGZKQESA-N 2 2 325.478 1.586 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)sc2C1 ZINC000347277569 143302848 /nfs/dbraw/zinc/30/28/48/143302848.db2.gz WBMRSLWVZUNUCC-DCGLDWPTSA-N 2 2 348.516 1.995 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)sc2C1 ZINC000347277569 143302849 /nfs/dbraw/zinc/30/28/49/143302849.db2.gz WBMRSLWVZUNUCC-DCGLDWPTSA-N 2 2 348.516 1.995 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)sc2C1 ZINC000347277569 143302850 /nfs/dbraw/zinc/30/28/50/143302850.db2.gz WBMRSLWVZUNUCC-DCGLDWPTSA-N 2 2 348.516 1.995 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)sc2C1 ZINC000347277569 143302851 /nfs/dbraw/zinc/30/28/51/143302851.db2.gz WBMRSLWVZUNUCC-DCGLDWPTSA-N 2 2 348.516 1.995 20 0 EDADLP CCN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000369681312 155134621 /nfs/dbraw/zinc/13/46/21/155134621.db2.gz KIGFHTWFNBZYTH-MRXNPFEDSA-N 2 2 331.464 1.489 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnc2n1CCCCC2 ZINC000369755528 155162890 /nfs/dbraw/zinc/16/28/90/155162890.db2.gz ROQGAXNOFHKFDP-UHFFFAOYSA-N 2 2 334.512 1.462 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnc2n1CCCCC2 ZINC000369755528 155162893 /nfs/dbraw/zinc/16/28/93/155162893.db2.gz ROQGAXNOFHKFDP-UHFFFAOYSA-N 2 2 334.512 1.462 20 0 EDADLP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262992648 148987489 /nfs/dbraw/zinc/98/74/89/148987489.db2.gz NWGMPORWRUPDIG-OAHLLOKOSA-N 2 2 339.386 1.132 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C[N@@H+]1C ZINC000352778500 149162758 /nfs/dbraw/zinc/16/27/58/149162758.db2.gz HMFQKNWJPUVPEK-SJORKVTESA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C[N@H+]1C ZINC000352778500 149162760 /nfs/dbraw/zinc/16/27/60/149162760.db2.gz HMFQKNWJPUVPEK-SJORKVTESA-N 2 2 344.503 1.599 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000352805812 149173762 /nfs/dbraw/zinc/17/37/62/149173762.db2.gz NEGAXIOLNXAGBX-MJGOQNOKSA-N 2 2 343.471 1.685 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)[C@H]2C1 ZINC000352805812 149173765 /nfs/dbraw/zinc/17/37/65/149173765.db2.gz NEGAXIOLNXAGBX-MJGOQNOKSA-N 2 2 343.471 1.685 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2c(F)cncc2F)CC1 ZINC000353201579 149321636 /nfs/dbraw/zinc/32/16/36/149321636.db2.gz MWQKKDSCQAKCHW-VXGBXAGGSA-N 2 2 326.391 1.563 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)NCC(C)(C)[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000416977308 304359677 /nfs/dbraw/zinc/35/96/77/304359677.db2.gz AWHZMZBELYMBPQ-STQMWFEESA-N 2 2 335.452 1.232 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000354875591 150005897 /nfs/dbraw/zinc/00/58/97/150005897.db2.gz CQFIFBUNXGGZML-KRWDZBQOSA-N 2 2 347.459 1.120 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000354875591 150005900 /nfs/dbraw/zinc/00/59/00/150005900.db2.gz CQFIFBUNXGGZML-KRWDZBQOSA-N 2 2 347.459 1.120 20 0 EDADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000354875591 150005903 /nfs/dbraw/zinc/00/59/03/150005903.db2.gz CQFIFBUNXGGZML-KRWDZBQOSA-N 2 2 347.459 1.120 20 0 EDADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000354875591 150005906 /nfs/dbraw/zinc/00/59/06/150005906.db2.gz CQFIFBUNXGGZML-KRWDZBQOSA-N 2 2 347.459 1.120 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000354908529 150024752 /nfs/dbraw/zinc/02/47/52/150024752.db2.gz PXLCWZDQSSUANA-XSLAGTTESA-N 2 2 338.540 1.780 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C1CCOCC1 ZINC000354947735 150048888 /nfs/dbraw/zinc/04/88/88/150048888.db2.gz OAJRDWIEXCMACQ-JKSUJKDBSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)C1CCOCC1 ZINC000354947735 150048891 /nfs/dbraw/zinc/04/88/91/150048891.db2.gz OAJRDWIEXCMACQ-JKSUJKDBSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@H]1CN(C(=O)COc2cccnc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354984592 150065279 /nfs/dbraw/zinc/06/52/79/150065279.db2.gz OHVPAJVRWLORGI-HNNXBMFYSA-N 2 2 332.448 1.087 20 0 EDADLP C[C@H]1CN(C(=O)COc2cccnc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354984592 150065281 /nfs/dbraw/zinc/06/52/81/150065281.db2.gz OHVPAJVRWLORGI-HNNXBMFYSA-N 2 2 332.448 1.087 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355050650 150091868 /nfs/dbraw/zinc/09/18/68/150091868.db2.gz MUHVUMDIHWKNJZ-HOTGVXAUSA-N 2 2 338.540 1.780 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355050650 150091870 /nfs/dbraw/zinc/09/18/70/150091870.db2.gz MUHVUMDIHWKNJZ-HOTGVXAUSA-N 2 2 338.540 1.780 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000355123763 150127467 /nfs/dbraw/zinc/12/74/67/150127467.db2.gz BAFYODLDCLGKNL-CQSZACIVSA-N 2 2 345.285 1.736 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000355123763 150127469 /nfs/dbraw/zinc/12/74/69/150127469.db2.gz BAFYODLDCLGKNL-CQSZACIVSA-N 2 2 345.285 1.736 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000355155566 150145190 /nfs/dbraw/zinc/14/51/90/150145190.db2.gz YEVFEOQUQBJLCQ-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000355155566 150145193 /nfs/dbraw/zinc/14/51/93/150145193.db2.gz YEVFEOQUQBJLCQ-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cn3c(C)[nH+]c4ccccc43)[C@@H]2C1 ZINC000355296649 150203413 /nfs/dbraw/zinc/20/34/13/150203413.db2.gz FYELWCGCXFDEON-MSOLQXFVSA-N 2 2 342.443 1.666 20 0 EDADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3c(C)[nH+]c4ccccc43)[C@@H]2C1 ZINC000355296649 150203416 /nfs/dbraw/zinc/20/34/16/150203416.db2.gz FYELWCGCXFDEON-MSOLQXFVSA-N 2 2 342.443 1.666 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417030395 304362577 /nfs/dbraw/zinc/36/25/77/304362577.db2.gz FWCWKPMDHLEGIO-QGZVFWFLSA-N 2 2 348.491 1.877 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CCSC1 ZINC000355534636 150305677 /nfs/dbraw/zinc/30/56/77/150305677.db2.gz OXUAPERKVSVRLQ-AEFFLSMTSA-N 2 2 333.501 1.814 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000355655452 150351646 /nfs/dbraw/zinc/35/16/46/150351646.db2.gz SZABSOIVEBAYFY-UHFFFAOYSA-N 2 2 332.429 1.573 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417032843 304363177 /nfs/dbraw/zinc/36/31/77/304363177.db2.gz HSEGLOLASJYSKC-MSOLQXFVSA-N 2 2 348.491 1.733 20 0 EDADLP O=C(C[N@H+](Cc1cccnc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000357379331 151012761 /nfs/dbraw/zinc/01/27/61/151012761.db2.gz FTDIUWICBCPXTC-UHFFFAOYSA-N 2 2 328.460 1.789 20 0 EDADLP O=C(C[N@@H+](Cc1cccnc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000357379331 151012764 /nfs/dbraw/zinc/01/27/64/151012764.db2.gz FTDIUWICBCPXTC-UHFFFAOYSA-N 2 2 328.460 1.789 20 0 EDADLP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000357615688 151086156 /nfs/dbraw/zinc/08/61/56/151086156.db2.gz DJOBQTCOAKBGEC-MSOLQXFVSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1CN(CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000357615688 151086158 /nfs/dbraw/zinc/08/61/58/151086158.db2.gz DJOBQTCOAKBGEC-MSOLQXFVSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000357640159 151096927 /nfs/dbraw/zinc/09/69/27/151096927.db2.gz YIFIMMJRYBSUOL-SJORKVTESA-N 2 2 347.503 1.811 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000357640159 151096928 /nfs/dbraw/zinc/09/69/28/151096928.db2.gz YIFIMMJRYBSUOL-SJORKVTESA-N 2 2 347.503 1.811 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000357643709 151097693 /nfs/dbraw/zinc/09/76/93/151097693.db2.gz AQXZRFCIBMOXIV-UHFFFAOYSA-N 2 2 325.840 1.667 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C1CC[NH+](CCO)CC1 ZINC000357643709 151097694 /nfs/dbraw/zinc/09/76/94/151097694.db2.gz AQXZRFCIBMOXIV-UHFFFAOYSA-N 2 2 325.840 1.667 20 0 EDADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651072 151101786 /nfs/dbraw/zinc/10/17/86/151101786.db2.gz RTZJDMFRMGHXHX-LBPRGKRZSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357651072 151101788 /nfs/dbraw/zinc/10/17/88/151101788.db2.gz RTZJDMFRMGHXHX-LBPRGKRZSA-N 2 2 341.402 1.680 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000357720729 151124404 /nfs/dbraw/zinc/12/44/04/151124404.db2.gz IKNNQIUTUPGJTK-YVSFHVDLSA-N 2 2 339.524 1.941 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000357720729 151124405 /nfs/dbraw/zinc/12/44/05/151124405.db2.gz IKNNQIUTUPGJTK-YVSFHVDLSA-N 2 2 339.524 1.941 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357720728 151124499 /nfs/dbraw/zinc/12/44/99/151124499.db2.gz IKNNQIUTUPGJTK-WCXIOVBPSA-N 2 2 339.524 1.941 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357720728 151124500 /nfs/dbraw/zinc/12/45/00/151124500.db2.gz IKNNQIUTUPGJTK-WCXIOVBPSA-N 2 2 339.524 1.941 20 0 EDADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)NCC(=O)c1ccccc1 ZINC000358053598 151248782 /nfs/dbraw/zinc/24/87/82/151248782.db2.gz VJBPHQZZDYJYTJ-UHFFFAOYSA-N 2 2 340.427 1.909 20 0 EDADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCC(=O)c1ccccc1 ZINC000358054359 151249492 /nfs/dbraw/zinc/24/94/92/151249492.db2.gz XTQCEFBNIYPFBI-UHFFFAOYSA-N 2 2 340.427 1.978 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358079282 151262053 /nfs/dbraw/zinc/26/20/53/151262053.db2.gz DMQYYLWKWJWNSP-YOEHRIQHSA-N 2 2 339.505 1.757 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358079282 151262055 /nfs/dbraw/zinc/26/20/55/151262055.db2.gz DMQYYLWKWJWNSP-YOEHRIQHSA-N 2 2 339.505 1.757 20 0 EDADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358173498 151295563 /nfs/dbraw/zinc/29/55/63/151295563.db2.gz VIIFQQPLKCTJLP-LPHOPBHVSA-N 2 2 343.471 1.505 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1 ZINC000358388311 151358146 /nfs/dbraw/zinc/35/81/46/151358146.db2.gz CLABRNGJKOSQQC-HZPDHXFCSA-N 2 2 346.537 1.538 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)[C@H](C)C1 ZINC000358388311 151358148 /nfs/dbraw/zinc/35/81/48/151358148.db2.gz CLABRNGJKOSQQC-HZPDHXFCSA-N 2 2 346.537 1.538 20 0 EDADLP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)[NH+]1CCOCC1 ZINC000360505942 152073550 /nfs/dbraw/zinc/07/35/50/152073550.db2.gz CMSQTRUAQNQFHX-KRWDZBQOSA-N 2 2 346.475 1.273 20 0 EDADLP CC(C)(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)[NH+]1CCOCC1 ZINC000360505942 152073552 /nfs/dbraw/zinc/07/35/52/152073552.db2.gz CMSQTRUAQNQFHX-KRWDZBQOSA-N 2 2 346.475 1.273 20 0 EDADLP C[NH+](C)CC1CCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000360942674 152259810 /nfs/dbraw/zinc/25/98/10/152259810.db2.gz SBUNYRVUJFSTRI-UHFFFAOYSA-N 2 2 342.447 1.751 20 0 EDADLP CC[NH+](CC)CC1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000360963293 152265560 /nfs/dbraw/zinc/26/55/60/152265560.db2.gz AWZYJMXMSSEGBG-KRWDZBQOSA-N 2 2 347.507 1.996 20 0 EDADLP CC[NH+](CC)CC1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000360963293 152265561 /nfs/dbraw/zinc/26/55/61/152265561.db2.gz AWZYJMXMSSEGBG-KRWDZBQOSA-N 2 2 347.507 1.996 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000361125881 152313511 /nfs/dbraw/zinc/31/35/11/152313511.db2.gz UMRUJDBDSXFTDR-INIZCTEOSA-N 2 2 347.459 1.173 20 0 EDADLP COC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H]1CCCO1 ZINC000361135256 152317666 /nfs/dbraw/zinc/31/76/66/152317666.db2.gz FQEPBCKOTILJCX-CVEARBPZSA-N 2 2 328.453 1.188 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000361297435 152357128 /nfs/dbraw/zinc/35/71/28/152357128.db2.gz SBGTUGFGZIINJG-QGZVFWFLSA-N 2 2 330.432 1.701 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000361297435 152357130 /nfs/dbraw/zinc/35/71/30/152357130.db2.gz SBGTUGFGZIINJG-QGZVFWFLSA-N 2 2 330.432 1.701 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(N2CCCC2=O)c1 ZINC000361344126 152366371 /nfs/dbraw/zinc/36/63/71/152366371.db2.gz BZHDPLUNPIJIPC-QAPCUYQASA-N 2 2 330.476 1.710 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(N2CCCC2=O)c1 ZINC000361344126 152366374 /nfs/dbraw/zinc/36/63/74/152366374.db2.gz BZHDPLUNPIJIPC-QAPCUYQASA-N 2 2 330.476 1.710 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)n1C1CC1 ZINC000363711585 153036262 /nfs/dbraw/zinc/03/62/62/153036262.db2.gz ZEJCFWBCRJDOOP-KBRIMQKVSA-N 2 2 333.480 1.900 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)n1C1CC1 ZINC000363711585 153036265 /nfs/dbraw/zinc/03/62/65/153036265.db2.gz ZEJCFWBCRJDOOP-KBRIMQKVSA-N 2 2 333.480 1.900 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363957329 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CC[C@H](NC(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000352189102 162040293 /nfs/dbraw/zinc/04/02/93/162040293.db2.gz CBTBJYLQBIUMTN-IPMKNSEASA-N 2 2 345.487 1.876 20 0 EDADLP O[C@@H]1[C@H]2C[C@H]3C[N@H+](CCC[NH+]4CCN(c5ccccc5)CC4)[C@H]1[C@H]3C2 ZINC000352405166 162166454 /nfs/dbraw/zinc/16/64/54/162166454.db2.gz GXRKFCZUZLWZHL-JZTRKIHISA-N 2 2 341.499 1.900 20 0 EDADLP O[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCC[NH+]4CCN(c5ccccc5)CC4)[C@H]1[C@H]3C2 ZINC000352405166 162166457 /nfs/dbraw/zinc/16/64/57/162166457.db2.gz GXRKFCZUZLWZHL-JZTRKIHISA-N 2 2 341.499 1.900 20 0 EDADLP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352504720 162217074 /nfs/dbraw/zinc/21/70/74/162217074.db2.gz UDNNQEJZPUXJNS-YJBOKZPZSA-N 2 2 330.476 1.556 20 0 EDADLP CSc1cccc(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352512444 162222214 /nfs/dbraw/zinc/22/22/14/162222214.db2.gz XVQFUGLOTUJOJC-HOCLYGCPSA-N 2 2 348.516 1.715 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000364231804 162322278 /nfs/dbraw/zinc/32/22/78/162322278.db2.gz REKDGWUYNDMWFW-MRXNPFEDSA-N 2 2 344.459 1.218 20 0 EDADLP CC[NH+](CC)CCC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000365192523 162355383 /nfs/dbraw/zinc/35/53/83/162355383.db2.gz QJXXLSBHUXGKSO-UHFFFAOYSA-N 2 2 334.464 1.756 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000641784317 452254067 /nfs/dbraw/zinc/25/40/67/452254067.db2.gz BSQMCGLRGMXHHA-IRXDYDNUSA-N 2 2 327.538 1.658 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000060531564 287235538 /nfs/dbraw/zinc/23/55/38/287235538.db2.gz IRTVTIVOCCNTSE-RRGWEWPQSA-N 2 2 340.427 1.722 20 0 EDADLP CC[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCO1 ZINC000356796521 287265554 /nfs/dbraw/zinc/26/55/54/287265554.db2.gz YMCIBIPHTSSTDV-XYJFISCASA-N 2 2 337.508 1.819 20 0 EDADLP CC[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCO1 ZINC000356796521 287265556 /nfs/dbraw/zinc/26/55/56/287265556.db2.gz YMCIBIPHTSSTDV-XYJFISCASA-N 2 2 337.508 1.819 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000079313339 287300024 /nfs/dbraw/zinc/30/00/24/287300024.db2.gz NLSCHEZSDVJDHB-KRWDZBQOSA-N 2 2 348.491 1.481 20 0 EDADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000081572376 287314183 /nfs/dbraw/zinc/31/41/83/287314183.db2.gz NUASSHYYYILFHW-OAHLLOKOSA-N 2 2 338.496 1.809 20 0 EDADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000081572376 287314184 /nfs/dbraw/zinc/31/41/84/287314184.db2.gz NUASSHYYYILFHW-OAHLLOKOSA-N 2 2 338.496 1.809 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000081572376 287314185 /nfs/dbraw/zinc/31/41/85/287314185.db2.gz NUASSHYYYILFHW-OAHLLOKOSA-N 2 2 338.496 1.809 20 0 EDADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000081572376 287314187 /nfs/dbraw/zinc/31/41/87/287314187.db2.gz NUASSHYYYILFHW-OAHLLOKOSA-N 2 2 338.496 1.809 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)C[C@@H]3CC[NH2+]C3)CCCC2)no1 ZINC000130552520 287495003 /nfs/dbraw/zinc/49/50/03/287495003.db2.gz QCNRMRZEOJLIRM-AWEZNQCLSA-N 2 2 349.479 1.797 20 0 EDADLP CC[N@H+](CCO)CCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000274672215 268180312 /nfs/dbraw/zinc/18/03/12/268180312.db2.gz PJBKWOANPVPGNK-UHFFFAOYSA-N 2 2 349.479 1.185 20 0 EDADLP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000274672215 268180314 /nfs/dbraw/zinc/18/03/14/268180314.db2.gz PJBKWOANPVPGNK-UHFFFAOYSA-N 2 2 349.479 1.185 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000273110135 273029005 /nfs/dbraw/zinc/02/90/05/273029005.db2.gz QANPNTNJUJDQLX-OAHLLOKOSA-N 2 2 345.443 1.373 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000273110135 273029007 /nfs/dbraw/zinc/02/90/07/273029007.db2.gz QANPNTNJUJDQLX-OAHLLOKOSA-N 2 2 345.443 1.373 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000275404439 268337837 /nfs/dbraw/zinc/33/78/37/268337837.db2.gz BLHOCVJQMUUXGC-AWEZNQCLSA-N 2 2 345.447 1.321 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000275404439 268337839 /nfs/dbraw/zinc/33/78/39/268337839.db2.gz BLHOCVJQMUUXGC-AWEZNQCLSA-N 2 2 345.447 1.321 20 0 EDADLP Cc1cccnc1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000275744162 268371396 /nfs/dbraw/zinc/37/13/96/268371396.db2.gz QIUWJEYHPKTDAJ-OAHLLOKOSA-N 2 2 339.443 1.908 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C(=O)C(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000275831027 268375775 /nfs/dbraw/zinc/37/57/75/268375775.db2.gz WUBYKRRFFHYNMT-ZDUSSCGKSA-N 2 2 332.448 1.506 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2[nH+]1 ZINC000275965345 268388287 /nfs/dbraw/zinc/38/82/87/268388287.db2.gz GKZKWUFNBQRAFD-DZGCQCFKSA-N 2 2 343.431 1.522 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2[nH+]1 ZINC000275965345 268388289 /nfs/dbraw/zinc/38/82/89/268388289.db2.gz GKZKWUFNBQRAFD-DZGCQCFKSA-N 2 2 343.431 1.522 20 0 EDADLP CCOCCOCC[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000276116545 273149745 /nfs/dbraw/zinc/14/97/45/273149745.db2.gz AOJZZQJJCPIDLT-KRWDZBQOSA-N 2 2 349.475 1.999 20 0 EDADLP CCOCCOCC[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000276116545 273149746 /nfs/dbraw/zinc/14/97/46/273149746.db2.gz AOJZZQJJCPIDLT-KRWDZBQOSA-N 2 2 349.475 1.999 20 0 EDADLP CCCNC(=O)C[NH+]1CCC(Nc2cc[nH+]cc2C(=O)OCC)CC1 ZINC000276354571 273162819 /nfs/dbraw/zinc/16/28/19/273162819.db2.gz YIUWZCUJLGQPRB-UHFFFAOYSA-N 2 2 348.447 1.661 20 0 EDADLP COc1ccc(CC[C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1O ZINC000277276526 273186294 /nfs/dbraw/zinc/18/62/94/273186294.db2.gz SFYNWSNPYYKVSU-GOEBONIOSA-N 2 2 349.475 1.651 20 0 EDADLP COc1ccc(CC[C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1O ZINC000277276526 273186295 /nfs/dbraw/zinc/18/62/95/273186295.db2.gz SFYNWSNPYYKVSU-GOEBONIOSA-N 2 2 349.475 1.651 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000277506702 273202164 /nfs/dbraw/zinc/20/21/64/273202164.db2.gz RNVBCDUYTJXJHQ-HNNXBMFYSA-N 2 2 342.447 1.914 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000277506702 273202165 /nfs/dbraw/zinc/20/21/65/273202165.db2.gz RNVBCDUYTJXJHQ-HNNXBMFYSA-N 2 2 342.447 1.914 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc3n[nH]cc3c2)CC1 ZINC000279869979 273335502 /nfs/dbraw/zinc/33/55/02/273335502.db2.gz KYXVIKZYCXRENW-UHFFFAOYSA-N 2 2 329.448 1.248 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280785260 273398013 /nfs/dbraw/zinc/39/80/13/273398013.db2.gz IUILAAQQELUMLG-QWFCFKBJSA-N 2 2 343.471 1.566 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000157555032 287685528 /nfs/dbraw/zinc/68/55/28/287685528.db2.gz JQTHQPGTAYHYJB-HNNXBMFYSA-N 2 2 337.468 1.239 20 0 EDADLP CC(C)[NH+](CCNC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)C(C)C ZINC000283999575 274042833 /nfs/dbraw/zinc/04/28/33/274042833.db2.gz LPLLAZIARVSMJF-UHFFFAOYSA-N 2 2 345.447 1.186 20 0 EDADLP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000284110839 274084023 /nfs/dbraw/zinc/08/40/23/274084023.db2.gz CDBTYWDQOIJHTA-MSOLQXFVSA-N 2 2 335.492 1.794 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)c2cc(N3CCSCC3)[nH+]cn2)[N@H+](C)C1 ZINC000284446172 274205275 /nfs/dbraw/zinc/20/52/75/274205275.db2.gz CBOGOKQDYGXWKW-KBPBESRZSA-N 2 2 337.493 1.185 20 0 EDADLP CO[C@H]1C[C@@H](CN(C)c2cc(N3CCSCC3)[nH+]cn2)[N@@H+](C)C1 ZINC000284446172 274205278 /nfs/dbraw/zinc/20/52/78/274205278.db2.gz CBOGOKQDYGXWKW-KBPBESRZSA-N 2 2 337.493 1.185 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000284634650 274273091 /nfs/dbraw/zinc/27/30/91/274273091.db2.gz VIWAYPRSJRRLRI-OALUTQOASA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C[C@@H]21 ZINC000284634650 274273093 /nfs/dbraw/zinc/27/30/93/274273093.db2.gz VIWAYPRSJRRLRI-OALUTQOASA-N 2 2 343.471 1.828 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)CCC[N@@H+]1C ZINC000284644322 274276844 /nfs/dbraw/zinc/27/68/44/274276844.db2.gz WDLTUULNKGQYLZ-RYQLBKOJSA-N 2 2 341.459 1.619 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H](C(N)=O)c2ccccc2)CCC[N@H+]1C ZINC000284644322 274276845 /nfs/dbraw/zinc/27/68/45/274276845.db2.gz WDLTUULNKGQYLZ-RYQLBKOJSA-N 2 2 341.459 1.619 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000284757949 274320318 /nfs/dbraw/zinc/32/03/18/274320318.db2.gz OMSWAVMITSCACH-SJLPKXTDSA-N 2 2 331.460 1.203 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000284757949 274320319 /nfs/dbraw/zinc/32/03/19/274320319.db2.gz OMSWAVMITSCACH-SJLPKXTDSA-N 2 2 331.460 1.203 20 0 EDADLP CCN(C)C(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346920964 276065358 /nfs/dbraw/zinc/06/53/58/276065358.db2.gz JSYUMVKYUCHYFD-MAUKXSAKSA-N 2 2 335.496 1.603 20 0 EDADLP CCN(C)C(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346920964 276065360 /nfs/dbraw/zinc/06/53/60/276065360.db2.gz JSYUMVKYUCHYFD-MAUKXSAKSA-N 2 2 335.496 1.603 20 0 EDADLP CCN(C)C(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346920964 276065362 /nfs/dbraw/zinc/06/53/62/276065362.db2.gz JSYUMVKYUCHYFD-MAUKXSAKSA-N 2 2 335.496 1.603 20 0 EDADLP CCN(C)C(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346920964 276065364 /nfs/dbraw/zinc/06/53/64/276065364.db2.gz JSYUMVKYUCHYFD-MAUKXSAKSA-N 2 2 335.496 1.603 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351754108 277119149 /nfs/dbraw/zinc/11/91/49/277119149.db2.gz YPDFUOFGCOTJII-RDJZCZTQSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351754108 277119151 /nfs/dbraw/zinc/11/91/51/277119151.db2.gz YPDFUOFGCOTJII-RDJZCZTQSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@H](CC(C)C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351754108 277119152 /nfs/dbraw/zinc/11/91/52/277119152.db2.gz YPDFUOFGCOTJII-RDJZCZTQSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@H](CC(C)C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351754108 277119154 /nfs/dbraw/zinc/11/91/54/277119154.db2.gz YPDFUOFGCOTJII-RDJZCZTQSA-N 2 2 325.497 1.674 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885376 278213210 /nfs/dbraw/zinc/21/32/10/278213210.db2.gz ONTWADBWVRWYPN-IRXDYDNUSA-N 3 2 336.524 1.536 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885376 278213212 /nfs/dbraw/zinc/21/32/12/278213212.db2.gz ONTWADBWVRWYPN-IRXDYDNUSA-N 3 2 336.524 1.536 20 0 EDADLP Cc1ccc(N2CCC[C@H](C(=O)N3CC[NH+](C[C@H](C)O)CC3)C2)[nH+]c1 ZINC000363859412 278819926 /nfs/dbraw/zinc/81/99/26/278819926.db2.gz JQRKSXMLZIVPQP-IRXDYDNUSA-N 2 2 346.475 1.131 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000245440062 279037048 /nfs/dbraw/zinc/03/70/48/279037048.db2.gz GGLYSEVKDYPXPO-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000245440062 279037049 /nfs/dbraw/zinc/03/70/49/279037049.db2.gz GGLYSEVKDYPXPO-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000245440062 279037051 /nfs/dbraw/zinc/03/70/51/279037051.db2.gz GGLYSEVKDYPXPO-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1 ZINC000245440062 279037052 /nfs/dbraw/zinc/03/70/52/279037052.db2.gz GGLYSEVKDYPXPO-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP CCN(CC)C(=O)CN1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000351631505 279068489 /nfs/dbraw/zinc/06/84/89/279068489.db2.gz GBWNESXRKWIEAM-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP CCN(CC)C(=O)CN1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC1 ZINC000351631505 279068490 /nfs/dbraw/zinc/06/84/90/279068490.db2.gz GBWNESXRKWIEAM-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP CCN(CC)C(=O)CN1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351631505 279068491 /nfs/dbraw/zinc/06/84/91/279068491.db2.gz GBWNESXRKWIEAM-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP CCN(CC)C(=O)CN1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351631505 279068492 /nfs/dbraw/zinc/06/84/92/279068492.db2.gz GBWNESXRKWIEAM-GOSISDBHSA-N 2 2 338.540 1.737 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000329764197 279186199 /nfs/dbraw/zinc/18/61/99/279186199.db2.gz VLTCBQRNLAQHGF-QGZVFWFLSA-N 2 2 346.456 1.727 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000329764197 279186201 /nfs/dbraw/zinc/18/62/01/279186201.db2.gz VLTCBQRNLAQHGF-QGZVFWFLSA-N 2 2 346.456 1.727 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000121820251 279339153 /nfs/dbraw/zinc/33/91/53/279339153.db2.gz DEMIBYUAGFEGPW-FUHWJXTLSA-N 2 2 345.491 1.866 20 0 EDADLP Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cn1 ZINC000121820251 279339155 /nfs/dbraw/zinc/33/91/55/279339155.db2.gz DEMIBYUAGFEGPW-FUHWJXTLSA-N 2 2 345.491 1.866 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000422767540 279415473 /nfs/dbraw/zinc/41/54/73/279415473.db2.gz SSTUMVKYAXEKHE-YJBOKZPZSA-N 2 2 347.484 1.513 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCn4cc[nH+]c43)C2)CC1 ZINC000378112147 279511350 /nfs/dbraw/zinc/51/13/50/279511350.db2.gz OJMNDKQZJYSJKN-SJORKVTESA-N 2 2 345.491 1.387 20 0 EDADLP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1(C)C ZINC000375505597 279695644 /nfs/dbraw/zinc/69/56/44/279695644.db2.gz HNOJLASYDSPPIR-DNNBLBMLSA-N 2 2 334.464 1.922 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000458593285 282050900 /nfs/dbraw/zinc/05/09/00/282050900.db2.gz MIFCBGMNYYEJNS-ZWKOTPCHSA-N 2 2 334.508 1.842 20 0 EDADLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333850892 282076878 /nfs/dbraw/zinc/07/68/78/282076878.db2.gz PZJOCDHFNFOHQY-HWWDLCQESA-N 2 2 339.443 1.909 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000291147569 289008649 /nfs/dbraw/zinc/00/86/49/289008649.db2.gz GUQCBABLASQKEX-ZDUSSCGKSA-N 2 2 343.422 1.390 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000291147569 289008650 /nfs/dbraw/zinc/00/86/50/289008650.db2.gz GUQCBABLASQKEX-ZDUSSCGKSA-N 2 2 343.422 1.390 20 0 EDADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292065786 289253489 /nfs/dbraw/zinc/25/34/89/289253489.db2.gz CYXIGZCBAFXSAD-GOSISDBHSA-N 2 2 331.416 1.059 20 0 EDADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292065786 289253494 /nfs/dbraw/zinc/25/34/94/289253494.db2.gz CYXIGZCBAFXSAD-GOSISDBHSA-N 2 2 331.416 1.059 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292065786 289253497 /nfs/dbraw/zinc/25/34/97/289253497.db2.gz CYXIGZCBAFXSAD-GOSISDBHSA-N 2 2 331.416 1.059 20 0 EDADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292065786 289253499 /nfs/dbraw/zinc/25/34/99/289253499.db2.gz CYXIGZCBAFXSAD-GOSISDBHSA-N 2 2 331.416 1.059 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000292721270 289421765 /nfs/dbraw/zinc/42/17/65/289421765.db2.gz PKBPTBDQYAQYFJ-UHFFFAOYSA-N 2 2 348.447 1.534 20 0 EDADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C)[NH+]2CCSCC2)C1 ZINC000348016061 293877209 /nfs/dbraw/zinc/87/72/09/293877209.db2.gz XYAPSCJHOWDEIX-HRCADAONSA-N 2 2 341.521 1.135 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H](CNC(=O)NCCC[NH3+])c2cccs2)CCO1 ZINC000417809915 297073835 /nfs/dbraw/zinc/07/38/35/297073835.db2.gz BNCJGXZROXBQFQ-CHWSQXEVSA-N 2 2 326.466 1.158 20 0 EDADLP C[C@@H]1C[N@H+]([C@H](CNC(=O)NCCC[NH3+])c2cccs2)CCO1 ZINC000417809915 297073836 /nfs/dbraw/zinc/07/38/36/297073836.db2.gz BNCJGXZROXBQFQ-CHWSQXEVSA-N 2 2 326.466 1.158 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662315315 453032153 /nfs/dbraw/zinc/03/21/53/453032153.db2.gz DURLFMFACHEAHF-BRWVUGGUSA-N 2 2 325.497 1.534 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662315315 453032162 /nfs/dbraw/zinc/03/21/62/453032162.db2.gz DURLFMFACHEAHF-BRWVUGGUSA-N 2 2 325.497 1.534 20 0 EDADLP C[C@H]1COCC[C@H]1[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329002580 300357629 /nfs/dbraw/zinc/35/76/29/300357629.db2.gz HFLLVTTULONURL-KDQZPGIASA-N 2 2 332.448 1.629 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)no1 ZINC000377713117 447310088 /nfs/dbraw/zinc/31/00/88/447310088.db2.gz SDGWZJLIHQTJPD-AWEZNQCLSA-N 2 2 331.420 2.406 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)no1 ZINC000377713117 447310095 /nfs/dbraw/zinc/31/00/95/447310095.db2.gz SDGWZJLIHQTJPD-AWEZNQCLSA-N 2 2 331.420 2.406 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](OC)C(C)C)CC2)CC1 ZINC000422018725 447311803 /nfs/dbraw/zinc/31/18/03/447311803.db2.gz KOLCRUCYZMGPBW-KRWDZBQOSA-N 2 2 325.497 1.676 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](OC)C(C)C)CC2)CC1 ZINC000422018725 447311809 /nfs/dbraw/zinc/31/18/09/447311809.db2.gz KOLCRUCYZMGPBW-KRWDZBQOSA-N 2 2 325.497 1.676 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC3(O)CCCC3)CC2)CC1 ZINC000422025470 447313361 /nfs/dbraw/zinc/31/33/61/447313361.db2.gz RZPGWQFYUNDTCT-UHFFFAOYSA-N 2 2 337.508 1.700 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC3(O)CCCC3)CC2)CC1 ZINC000422025470 447313367 /nfs/dbraw/zinc/31/33/67/447313367.db2.gz RZPGWQFYUNDTCT-UHFFFAOYSA-N 2 2 337.508 1.700 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430924108 305068569 /nfs/dbraw/zinc/06/85/69/305068569.db2.gz HJDCZDMKQFQAKC-SMDDNHRTSA-N 2 2 325.840 1.634 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430924108 305068570 /nfs/dbraw/zinc/06/85/70/305068570.db2.gz HJDCZDMKQFQAKC-SMDDNHRTSA-N 2 2 325.840 1.634 20 0 EDADLP Cc1sc2[nH]c(CN3CC[NH+](CCC[NH3+])CC3)nc(=O)c2c1C ZINC000420296443 304744804 /nfs/dbraw/zinc/74/48/04/304744804.db2.gz DNVMNJXMPDFCSG-UHFFFAOYSA-N 2 2 335.477 1.480 20 0 EDADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000422025096 447314295 /nfs/dbraw/zinc/31/42/95/447314295.db2.gz RFSOCPITRUZNCU-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000422025096 447314299 /nfs/dbraw/zinc/31/42/99/447314299.db2.gz RFSOCPITRUZNCU-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NCC[C@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000416989361 302031352 /nfs/dbraw/zinc/03/13/52/302031352.db2.gz DLTHRHLVSXDAOK-RDJZCZTQSA-N 2 2 334.464 1.405 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293630604 302994877 /nfs/dbraw/zinc/99/48/77/302994877.db2.gz HMIXYTHDCPBQIA-HOCLYGCPSA-N 2 2 348.520 1.819 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCCNS(C)(=O)=O)CCC[N@H+]1Cc1ccccc1 ZINC000293822800 303024125 /nfs/dbraw/zinc/02/41/25/303024125.db2.gz SBSZIXOWEZUJQB-RDJZCZTQSA-N 2 2 339.505 1.568 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCCNS(C)(=O)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000293822800 303024124 /nfs/dbraw/zinc/02/41/24/303024124.db2.gz SBSZIXOWEZUJQB-RDJZCZTQSA-N 2 2 339.505 1.568 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000294050843 303056098 /nfs/dbraw/zinc/05/60/98/303056098.db2.gz LLFHSFHBKLDOSV-UHFFFAOYSA-N 2 2 338.415 1.942 20 0 EDADLP C[C@H](O)CNc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000294256908 303083836 /nfs/dbraw/zinc/08/38/36/303083836.db2.gz FEAYOEFSLNSONR-GOEBONIOSA-N 2 2 327.432 1.956 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000294496375 303116026 /nfs/dbraw/zinc/11/60/26/303116026.db2.gz YBVLSUIZLGHQLH-RDJZCZTQSA-N 2 2 341.459 1.782 20 0 EDADLP C[C@H]1[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CCC[N@H+]1Cc1ccccc1 ZINC000294496375 303116027 /nfs/dbraw/zinc/11/60/27/303116027.db2.gz YBVLSUIZLGHQLH-RDJZCZTQSA-N 2 2 341.459 1.782 20 0 EDADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](CO)c1ccccc1 ZINC000295107001 303174404 /nfs/dbraw/zinc/17/44/04/303174404.db2.gz ULFRBEPEECYIDI-GOSISDBHSA-N 2 2 341.459 1.394 20 0 EDADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](CO)c1ccccc1 ZINC000295107001 303174405 /nfs/dbraw/zinc/17/44/05/303174405.db2.gz ULFRBEPEECYIDI-GOSISDBHSA-N 2 2 341.459 1.394 20 0 EDADLP CS[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000296042702 303291260 /nfs/dbraw/zinc/29/12/60/303291260.db2.gz APZOMTJJZOGVKK-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP CS[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000296042702 303291263 /nfs/dbraw/zinc/29/12/63/303291263.db2.gz APZOMTJJZOGVKK-OAHLLOKOSA-N 2 2 334.489 1.558 20 0 EDADLP Cc1cc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000297125342 303362502 /nfs/dbraw/zinc/36/25/02/303362502.db2.gz YDSSJYPOHBDVGH-UONOGXRCSA-N 2 2 331.420 1.873 20 0 EDADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000302028632 303708904 /nfs/dbraw/zinc/70/89/04/303708904.db2.gz MDKGISXOXRTIAE-UHFFFAOYSA-N 2 2 336.399 1.150 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](CO)[C@@H]3CCCOC3)c2cc1C ZINC000412000445 303948841 /nfs/dbraw/zinc/94/88/41/303948841.db2.gz ZBEJNUBRQLSEIZ-NUJGCVRESA-N 2 2 347.459 1.391 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423079061 304884494 /nfs/dbraw/zinc/88/44/94/304884494.db2.gz PVNWNUHFHAEADZ-IRXDYDNUSA-N 2 2 340.489 1.463 20 0 EDADLP OCC1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC(c2ccccc2)C1 ZINC000423087637 304885193 /nfs/dbraw/zinc/88/51/93/304885193.db2.gz ONLHZPMLUPTGJK-KAXARAQCSA-N 2 2 330.472 1.899 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423194761 304889135 /nfs/dbraw/zinc/88/91/35/304889135.db2.gz YRDKNLBGSADQEU-RTBURBONSA-N 3 2 332.492 1.373 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]([NH3+])c2c(F)cccc2F)C[C@@H](C)O1 ZINC000423301292 304891680 /nfs/dbraw/zinc/89/16/80/304891680.db2.gz HCWVRIDYXRPGPV-XHBSWPGZSA-N 2 2 341.402 1.580 20 0 EDADLP O=C(N1CC[NH+](CCOc2ccccc2Cl)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423302843 304891970 /nfs/dbraw/zinc/89/19/70/304891970.db2.gz KSRHHRBYBLYBSO-KDOFPFPSSA-N 2 2 349.862 1.615 20 0 EDADLP CC(C)[C@H](C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1)[C@@H](C)[NH3+] ZINC000423333743 304892831 /nfs/dbraw/zinc/89/28/31/304892831.db2.gz OJTKOGQUGBYRSI-CPUCHLNUSA-N 2 2 334.464 1.542 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1I ZINC000423532197 304897979 /nfs/dbraw/zinc/89/79/79/304897979.db2.gz ZBPZCWGJRQEJES-MNOVXSKESA-N 2 2 346.212 1.930 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000423847937 304912135 /nfs/dbraw/zinc/91/21/35/304912135.db2.gz QIKJLNCZXXBWJG-AWEZNQCLSA-N 2 2 332.448 1.145 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1C ZINC000428030049 305004431 /nfs/dbraw/zinc/00/44/31/305004431.db2.gz GVGDIILHWLLHHY-GOEBONIOSA-N 2 2 330.432 1.635 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1C ZINC000428030049 305004432 /nfs/dbraw/zinc/00/44/32/305004432.db2.gz GVGDIILHWLLHHY-GOEBONIOSA-N 2 2 330.432 1.635 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033459 305004614 /nfs/dbraw/zinc/00/46/14/305004614.db2.gz AZTCCILBYDZLMU-YRGRVCCFSA-N 2 2 334.395 1.546 20 0 EDADLP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033459 305004615 /nfs/dbraw/zinc/00/46/15/305004615.db2.gz AZTCCILBYDZLMU-YRGRVCCFSA-N 2 2 334.395 1.546 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428049961 305005679 /nfs/dbraw/zinc/00/56/79/305005679.db2.gz QPASWIGNAWIZRS-WMZOPIPTSA-N 2 2 347.459 1.012 20 0 EDADLP COCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428049961 305005680 /nfs/dbraw/zinc/00/56/80/305005680.db2.gz QPASWIGNAWIZRS-WMZOPIPTSA-N 2 2 347.459 1.012 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428050559 305005787 /nfs/dbraw/zinc/00/57/87/305005787.db2.gz SULZYGRZWXHQSV-AOIWGVFYSA-N 2 2 342.487 1.408 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428050559 305005788 /nfs/dbraw/zinc/00/57/88/305005788.db2.gz SULZYGRZWXHQSV-AOIWGVFYSA-N 2 2 342.487 1.408 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000430538698 305055847 /nfs/dbraw/zinc/05/58/47/305055847.db2.gz CNUCYXZWNKRVRN-LBPRGKRZSA-N 2 2 338.839 1.451 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000430538698 305055848 /nfs/dbraw/zinc/05/58/48/305055848.db2.gz CNUCYXZWNKRVRN-LBPRGKRZSA-N 2 2 338.839 1.451 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)n(-c2ccc(F)cc2)n1 ZINC000430622262 305059589 /nfs/dbraw/zinc/05/95/89/305059589.db2.gz FHWABRJZYCPEFH-UHFFFAOYSA-N 2 2 345.422 1.942 20 0 EDADLP Cc1cc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)n(-c2ccc(F)cc2)n1 ZINC000430622262 305059590 /nfs/dbraw/zinc/05/95/90/305059590.db2.gz FHWABRJZYCPEFH-UHFFFAOYSA-N 2 2 345.422 1.942 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000430632900 305060358 /nfs/dbraw/zinc/06/03/58/305060358.db2.gz YUXQOSDDMHLURY-INIZCTEOSA-N 2 2 345.491 1.098 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000430641006 305060754 /nfs/dbraw/zinc/06/07/54/305060754.db2.gz RWWFBBFFWOUMJA-UHFFFAOYSA-N 3 2 344.503 1.582 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000430641006 305060755 /nfs/dbraw/zinc/06/07/55/305060755.db2.gz RWWFBBFFWOUMJA-UHFFFAOYSA-N 3 2 344.503 1.582 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2OC)C[C@H]1CC ZINC000430735937 305063746 /nfs/dbraw/zinc/06/37/46/305063746.db2.gz RKFIASYRYWOWGH-QAPCUYQASA-N 2 2 349.475 1.654 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2OC)C[C@H]1CC ZINC000430735937 305063747 /nfs/dbraw/zinc/06/37/47/305063747.db2.gz RKFIASYRYWOWGH-QAPCUYQASA-N 2 2 349.475 1.654 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000430935625 305069227 /nfs/dbraw/zinc/06/92/27/305069227.db2.gz UPGZUCJHYKWPIK-HZPDHXFCSA-N 2 2 346.475 1.336 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)c1 ZINC000430935625 305069228 /nfs/dbraw/zinc/06/92/28/305069228.db2.gz UPGZUCJHYKWPIK-HZPDHXFCSA-N 2 2 346.475 1.336 20 0 EDADLP COc1cc(NC(=O)CC[N@H+](C)[C@H](C)C[NH3+])c(OC)cc1Cl ZINC000430939037 305069377 /nfs/dbraw/zinc/06/93/77/305069377.db2.gz DUROHCCRNLRWMK-SNVBAGLBSA-N 2 2 329.828 1.965 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+](C)[C@H](C)C[NH3+])c(OC)cc1Cl ZINC000430939037 305069378 /nfs/dbraw/zinc/06/93/78/305069378.db2.gz DUROHCCRNLRWMK-SNVBAGLBSA-N 2 2 329.828 1.965 20 0 EDADLP C[C@@H](CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000431014135 305072878 /nfs/dbraw/zinc/07/28/78/305072878.db2.gz ZWYXQAGPLHLVQJ-RDJZCZTQSA-N 2 2 333.480 1.090 20 0 EDADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431063311 305074041 /nfs/dbraw/zinc/07/40/41/305074041.db2.gz ZSPSPAIQDVXSBM-QWHCGFSZSA-N 2 2 337.468 1.780 20 0 EDADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431063311 305074042 /nfs/dbraw/zinc/07/40/42/305074042.db2.gz ZSPSPAIQDVXSBM-QWHCGFSZSA-N 2 2 337.468 1.780 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCCn1cc[nH+]c1 ZINC000431561359 305079507 /nfs/dbraw/zinc/07/95/07/305079507.db2.gz QBFPZGUPBGXURI-UHFFFAOYSA-N 2 2 327.392 1.239 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000433159991 305102154 /nfs/dbraw/zinc/10/21/54/305102154.db2.gz UFBVMTJBHITVAZ-MSOLQXFVSA-N 2 2 333.476 1.277 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnnn1C1CCOCC1 ZINC000433261341 305104125 /nfs/dbraw/zinc/10/41/25/305104125.db2.gz VXXNNSZADYHBRT-UHFFFAOYSA-N 2 2 347.467 1.696 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnnn1C1CCOCC1 ZINC000433261341 305104126 /nfs/dbraw/zinc/10/41/26/305104126.db2.gz VXXNNSZADYHBRT-UHFFFAOYSA-N 2 2 347.467 1.696 20 0 EDADLP CC(C)[NH+](CCNC(=O)NCC1([NH+]2CCOCC2)CC1)C(C)C ZINC000433957830 305115830 /nfs/dbraw/zinc/11/58/30/305115830.db2.gz CYTRTDILJOHHPL-UHFFFAOYSA-N 2 2 326.485 1.269 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000434503881 305123775 /nfs/dbraw/zinc/12/37/75/305123775.db2.gz JOSLMUQNSKOGGL-UONOGXRCSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000434503881 305123776 /nfs/dbraw/zinc/12/37/76/305123776.db2.gz JOSLMUQNSKOGGL-UONOGXRCSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000434503881 305123777 /nfs/dbraw/zinc/12/37/77/305123777.db2.gz JOSLMUQNSKOGGL-UONOGXRCSA-N 2 2 336.505 1.872 20 0 EDADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000434503881 305123778 /nfs/dbraw/zinc/12/37/78/305123778.db2.gz JOSLMUQNSKOGGL-UONOGXRCSA-N 2 2 336.505 1.872 20 0 EDADLP CC[N@H+](CCNC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1)C(C)C ZINC000435016717 305134597 /nfs/dbraw/zinc/13/45/97/305134597.db2.gz QENRABZKPBYHOQ-QGZVFWFLSA-N 2 2 340.512 1.469 20 0 EDADLP CC[N@@H+](CCNC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1)C(C)C ZINC000435016717 305134598 /nfs/dbraw/zinc/13/45/98/305134598.db2.gz QENRABZKPBYHOQ-QGZVFWFLSA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+](CCNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000435016717 305134599 /nfs/dbraw/zinc/13/45/99/305134599.db2.gz QENRABZKPBYHOQ-QGZVFWFLSA-N 2 2 340.512 1.469 20 0 EDADLP CC[NH+](CCNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000435016717 305134600 /nfs/dbraw/zinc/13/46/00/305134600.db2.gz QENRABZKPBYHOQ-QGZVFWFLSA-N 2 2 340.512 1.469 20 0 EDADLP CC1(C)Cc2cc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)ccc2O1 ZINC000435380841 305139599 /nfs/dbraw/zinc/13/95/99/305139599.db2.gz TZJVVLWPRMWDTC-KRWDZBQOSA-N 2 2 343.471 1.796 20 0 EDADLP CC1(C)Cc2cc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)ccc2O1 ZINC000435380841 305139600 /nfs/dbraw/zinc/13/96/00/305139600.db2.gz TZJVVLWPRMWDTC-KRWDZBQOSA-N 2 2 343.471 1.796 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC[C@H]1CCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435567797 305142696 /nfs/dbraw/zinc/14/26/96/305142696.db2.gz RHVZYZDAVRUYCG-JKSUJKDBSA-N 2 2 346.475 1.708 20 0 EDADLP Cc1ccncc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435570774 305142851 /nfs/dbraw/zinc/14/28/51/305142851.db2.gz YSDCLPKGRWEZGZ-INIZCTEOSA-N 2 2 339.443 1.908 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436053155 305151500 /nfs/dbraw/zinc/15/15/00/305151500.db2.gz DPPJSNKQYMHDRU-INIZCTEOSA-N 2 2 346.475 1.561 20 0 EDADLP Cc1ccc(C)c(NC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436053155 305151501 /nfs/dbraw/zinc/15/15/01/305151501.db2.gz DPPJSNKQYMHDRU-INIZCTEOSA-N 2 2 346.475 1.561 20 0 EDADLP O=C(CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)Nc1cc(F)cc(F)c1 ZINC000436404831 305156714 /nfs/dbraw/zinc/15/67/14/305156714.db2.gz AHTVJYNBEJSZFF-UHFFFAOYSA-N 2 2 349.385 1.834 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446566754 305266961 /nfs/dbraw/zinc/26/69/61/305266961.db2.gz VKGNJRBQZMPSHL-HNNXBMFYSA-N 2 2 334.464 1.633 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000446581545 305267267 /nfs/dbraw/zinc/26/72/67/305267267.db2.gz SIYAVIHJSZJHEW-QGZVFWFLSA-N 2 2 346.475 1.729 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448260366 305294708 /nfs/dbraw/zinc/29/47/08/305294708.db2.gz LIUXXQGVRQSTCA-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448260366 305294709 /nfs/dbraw/zinc/29/47/09/305294709.db2.gz LIUXXQGVRQSTCA-JKSUJKDBSA-N 2 2 340.512 1.469 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000449078009 305305891 /nfs/dbraw/zinc/30/58/91/305305891.db2.gz TUCALGIANZTUMH-KRWDZBQOSA-N 2 2 329.448 1.115 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000449078009 305305892 /nfs/dbraw/zinc/30/58/92/305305892.db2.gz TUCALGIANZTUMH-KRWDZBQOSA-N 2 2 329.448 1.115 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC(=O)N[C@@H](C)C2)CC1 ZINC000449525739 305312741 /nfs/dbraw/zinc/31/27/41/305312741.db2.gz UHYCSJGVFFMCNC-INIZCTEOSA-N 2 2 330.476 1.539 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(=O)N[C@@H](C)C2)CC1 ZINC000449525739 305312742 /nfs/dbraw/zinc/31/27/42/305312742.db2.gz UHYCSJGVFFMCNC-INIZCTEOSA-N 2 2 330.476 1.539 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000449647930 305315602 /nfs/dbraw/zinc/31/56/02/305315602.db2.gz QELYWTBCAHHONC-BHYGNILZSA-N 2 2 325.497 1.757 20 0 EDADLP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000449761168 305318458 /nfs/dbraw/zinc/31/84/58/305318458.db2.gz VIOSMURXIOAVDN-RTBURBONSA-N 2 2 339.524 1.720 20 0 EDADLP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000449761168 305318459 /nfs/dbraw/zinc/31/84/59/305318459.db2.gz VIOSMURXIOAVDN-RTBURBONSA-N 2 2 339.524 1.720 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc1 ZINC000450602859 305330542 /nfs/dbraw/zinc/33/05/42/305330542.db2.gz RZOOSRHFJDJGNV-FGTMMUONSA-N 2 2 347.459 1.942 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc1 ZINC000450602859 305330543 /nfs/dbraw/zinc/33/05/43/305330543.db2.gz RZOOSRHFJDJGNV-FGTMMUONSA-N 2 2 347.459 1.942 20 0 EDADLP CC1(C)OCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000451247996 305335316 /nfs/dbraw/zinc/33/53/16/305335316.db2.gz YNCDKCPSWLLFMC-HNNXBMFYSA-N 2 2 337.489 1.549 20 0 EDADLP CO[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1(C)C ZINC000451503892 305349849 /nfs/dbraw/zinc/34/98/49/305349849.db2.gz QDDXCFSIUDVIQR-ROUUACIJSA-N 2 2 345.487 1.734 20 0 EDADLP CO[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000451549180 305352913 /nfs/dbraw/zinc/35/29/13/305352913.db2.gz SNIAVVXYGPUWDW-SJORKVTESA-N 2 2 346.475 1.477 20 0 EDADLP CO[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000451549180 305352914 /nfs/dbraw/zinc/35/29/14/305352914.db2.gz SNIAVVXYGPUWDW-SJORKVTESA-N 2 2 346.475 1.477 20 0 EDADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C ZINC000451558315 305353514 /nfs/dbraw/zinc/35/35/14/305353514.db2.gz FZGAMLUYAFBAAI-DOTOQJQBSA-N 2 2 335.448 1.281 20 0 EDADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C[C@@H]1C ZINC000451558315 305353515 /nfs/dbraw/zinc/35/35/15/305353515.db2.gz FZGAMLUYAFBAAI-DOTOQJQBSA-N 2 2 335.448 1.281 20 0 EDADLP Cc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc(C(N)=O)c1 ZINC000455803899 305445812 /nfs/dbraw/zinc/44/58/12/305445812.db2.gz FEHSXHGLVFIRJT-UHFFFAOYSA-N 2 2 347.463 1.241 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000536543186 306022113 /nfs/dbraw/zinc/02/21/13/306022113.db2.gz WGPGCGUKIJOTRG-OAGGEKHMSA-N 2 2 341.521 1.183 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000536543186 306022114 /nfs/dbraw/zinc/02/21/14/306022114.db2.gz WGPGCGUKIJOTRG-OAGGEKHMSA-N 2 2 341.521 1.183 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000538683896 306032121 /nfs/dbraw/zinc/03/21/21/306032121.db2.gz IGPWYWIZOOESTE-UHFFFAOYSA-N 2 2 344.463 1.448 20 0 EDADLP CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000542467810 306054200 /nfs/dbraw/zinc/05/42/00/306054200.db2.gz WIUBFOBVCDBCHF-AWEZNQCLSA-N 2 2 340.474 1.447 20 0 EDADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000542467810 306054201 /nfs/dbraw/zinc/05/42/01/306054201.db2.gz WIUBFOBVCDBCHF-AWEZNQCLSA-N 2 2 340.474 1.447 20 0 EDADLP COC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000542522867 306054651 /nfs/dbraw/zinc/05/46/51/306054651.db2.gz VPYDPPNVVHQBLS-GOSISDBHSA-N 2 2 349.475 1.718 20 0 EDADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccn(C)n1 ZINC000542670391 306056402 /nfs/dbraw/zinc/05/64/02/306056402.db2.gz FCPYZYHKWDBZRA-MRXNPFEDSA-N 2 2 343.479 1.463 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000547979651 306116456 /nfs/dbraw/zinc/11/64/56/306116456.db2.gz LSSGIKXGOTWKBX-GXTWGEPZSA-N 2 2 334.445 1.457 20 0 EDADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH+]cn1C ZINC000548257575 306122746 /nfs/dbraw/zinc/12/27/46/306122746.db2.gz NDQCWTZFBZKEIH-KRWDZBQOSA-N 2 2 326.444 1.943 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1c[nH+]cn1C ZINC000548257575 306122747 /nfs/dbraw/zinc/12/27/47/306122747.db2.gz NDQCWTZFBZKEIH-KRWDZBQOSA-N 2 2 326.444 1.943 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548282109 306123240 /nfs/dbraw/zinc/12/32/40/306123240.db2.gz ZJNWEJJYULGZME-MRXNPFEDSA-N 2 2 349.479 1.387 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000548777391 306137636 /nfs/dbraw/zinc/13/76/36/306137636.db2.gz NWONSQCBFDJKTE-UHFFFAOYSA-N 2 2 325.376 1.724 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccncc1F ZINC000550918205 306155020 /nfs/dbraw/zinc/15/50/20/306155020.db2.gz ZCSGFVIZWWELDT-WFASDCNBSA-N 2 2 331.395 1.796 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553057163 306182133 /nfs/dbraw/zinc/18/21/33/306182133.db2.gz PLAGZSXCNBJTQG-ZIAGYGMSSA-N 2 2 343.431 1.509 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000553057163 306182134 /nfs/dbraw/zinc/18/21/34/306182134.db2.gz PLAGZSXCNBJTQG-ZIAGYGMSSA-N 2 2 343.431 1.509 20 0 EDADLP C[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1=O ZINC000425969153 447368966 /nfs/dbraw/zinc/36/89/66/447368966.db2.gz XMGWSBVVAHKLBW-QUCCMNQESA-N 2 2 343.471 1.319 20 0 EDADLP C[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1=O ZINC000425969153 447368969 /nfs/dbraw/zinc/36/89/69/447368969.db2.gz XMGWSBVVAHKLBW-QUCCMNQESA-N 2 2 343.471 1.319 20 0 EDADLP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1=O ZINC000425969153 447368974 /nfs/dbraw/zinc/36/89/74/447368974.db2.gz XMGWSBVVAHKLBW-QUCCMNQESA-N 2 2 343.471 1.319 20 0 EDADLP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1=O ZINC000425969153 447368978 /nfs/dbraw/zinc/36/89/78/447368978.db2.gz XMGWSBVVAHKLBW-QUCCMNQESA-N 2 2 343.471 1.319 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458453072 447374709 /nfs/dbraw/zinc/37/47/09/447374709.db2.gz IJBBSWWEJPITBL-CALCHBBNSA-N 2 2 338.496 1.271 20 0 EDADLP CC[NH+]1CCC(CCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000458453072 447374714 /nfs/dbraw/zinc/37/47/14/447374714.db2.gz IJBBSWWEJPITBL-CALCHBBNSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1cccc(F)c1 ZINC000657093074 453675996 /nfs/dbraw/zinc/67/59/96/453675996.db2.gz XREHDUSUHARTND-UHFFFAOYSA-N 2 2 331.457 1.129 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1cccc(F)c1 ZINC000657093074 453676001 /nfs/dbraw/zinc/67/60/01/453676001.db2.gz XREHDUSUHARTND-UHFFFAOYSA-N 2 2 331.457 1.129 20 0 EDADLP Cc1cc(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc(C)[nH+]1 ZINC000422197460 447399711 /nfs/dbraw/zinc/39/97/11/447399711.db2.gz BHHMQHACWUEMSD-UHFFFAOYSA-N 2 2 334.464 1.951 20 0 EDADLP Cc1cc(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc(C)[nH+]1 ZINC000422197460 447399714 /nfs/dbraw/zinc/39/97/14/447399714.db2.gz BHHMQHACWUEMSD-UHFFFAOYSA-N 2 2 334.464 1.951 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415301530 447406767 /nfs/dbraw/zinc/40/67/67/447406767.db2.gz BIYXVVLFLJOLJH-GJZGRUSLSA-N 2 2 347.463 1.866 20 0 EDADLP CC[C@H](COC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422223616 447409382 /nfs/dbraw/zinc/40/93/82/447409382.db2.gz COQMPGQDSZAXQV-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CC[C@H](COC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422223616 447409385 /nfs/dbraw/zinc/40/93/85/447409385.db2.gz COQMPGQDSZAXQV-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CCC[C@H](OC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000449967831 447421984 /nfs/dbraw/zinc/42/19/84/447421984.db2.gz WFAGBDNVNFLTCE-INIZCTEOSA-N 2 2 325.497 1.868 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000458592222 447424569 /nfs/dbraw/zinc/42/45/69/447424569.db2.gz YYVRPYWHUPNEKO-HZPDHXFCSA-N 2 2 349.479 1.215 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)CCC2 ZINC000458592222 447424576 /nfs/dbraw/zinc/42/45/76/447424576.db2.gz YYVRPYWHUPNEKO-HZPDHXFCSA-N 2 2 349.479 1.215 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000057824072 441137047 /nfs/dbraw/zinc/13/70/47/441137047.db2.gz JYYHIMCMSHJMQN-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000057824072 441137048 /nfs/dbraw/zinc/13/70/48/441137048.db2.gz JYYHIMCMSHJMQN-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](Cc2ccco2)CC1 ZINC000047105540 441156066 /nfs/dbraw/zinc/15/60/66/441156066.db2.gz UXVRILBWCYVEKL-DLBZAZTESA-N 2 2 332.448 1.734 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](Cc2ccco2)CC1 ZINC000047105540 441156070 /nfs/dbraw/zinc/15/60/70/441156070.db2.gz UXVRILBWCYVEKL-DLBZAZTESA-N 2 2 332.448 1.734 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105130336 441235962 /nfs/dbraw/zinc/23/59/62/441235962.db2.gz HCOQAGVWGAUEMU-IAGOWNOFSA-N 2 2 338.496 1.367 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000071923064 441199218 /nfs/dbraw/zinc/19/92/18/441199218.db2.gz FLLPYYFPFYSGRK-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3cc(C)on3)CC2)c1 ZINC000104717691 441201841 /nfs/dbraw/zinc/20/18/41/441201841.db2.gz NNOVVYMNFVWYRO-UHFFFAOYSA-N 2 2 345.403 1.537 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000048015466 441250573 /nfs/dbraw/zinc/25/05/73/441250573.db2.gz ZKDBNXCLXMNPQH-MRXNPFEDSA-N 2 2 345.447 1.490 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000048015466 441250576 /nfs/dbraw/zinc/25/05/76/441250576.db2.gz ZKDBNXCLXMNPQH-MRXNPFEDSA-N 2 2 345.447 1.490 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000072997212 441284079 /nfs/dbraw/zinc/28/40/79/441284079.db2.gz ZOPRQTRVDMDHNH-OAHLLOKOSA-N 2 2 334.464 1.589 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000106516252 441348117 /nfs/dbraw/zinc/34/81/17/441348117.db2.gz KURUEURLNKOYFT-FUHWJXTLSA-N 2 2 347.507 1.224 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000073432841 441316748 /nfs/dbraw/zinc/31/67/48/441316748.db2.gz IOZMDMIXEOMKGB-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000073432841 441316752 /nfs/dbraw/zinc/31/67/52/441316752.db2.gz IOZMDMIXEOMKGB-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000073432841 441316754 /nfs/dbraw/zinc/31/67/54/441316754.db2.gz IOZMDMIXEOMKGB-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000073432841 441316756 /nfs/dbraw/zinc/31/67/56/441316756.db2.gz IOZMDMIXEOMKGB-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)n1C ZINC000083738570 441372908 /nfs/dbraw/zinc/37/29/08/441372908.db2.gz NLFIJQDOXCNGJJ-UHFFFAOYSA-N 2 2 346.435 1.107 20 0 EDADLP CCCC[N@@H+](CC(N)=O)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051923360 441428724 /nfs/dbraw/zinc/42/87/24/441428724.db2.gz JJYAZJNIVQAQSG-OAHLLOKOSA-N 2 2 332.448 1.601 20 0 EDADLP CCCC[N@H+](CC(N)=O)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051923360 441428728 /nfs/dbraw/zinc/42/87/28/441428728.db2.gz JJYAZJNIVQAQSG-OAHLLOKOSA-N 2 2 332.448 1.601 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000052268576 441443782 /nfs/dbraw/zinc/44/37/82/441443782.db2.gz ZXFIIYAVQYDLGY-UHFFFAOYSA-N 2 2 326.404 1.849 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC([NH2+]C(C)C)CC2)CC1 ZINC000108369450 441450318 /nfs/dbraw/zinc/45/03/18/441450318.db2.gz MWQGJZJKFCPFCU-CQSZACIVSA-N 2 2 339.480 1.249 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066176596 441508881 /nfs/dbraw/zinc/50/88/81/441508881.db2.gz WGRSBZFEOBHTCZ-INIZCTEOSA-N 2 2 340.431 1.647 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000075836307 441557861 /nfs/dbraw/zinc/55/78/61/441557861.db2.gz UZBQXWPTAMTABB-KRWDZBQOSA-N 3 2 336.524 1.395 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000075836307 441557863 /nfs/dbraw/zinc/55/78/63/441557863.db2.gz UZBQXWPTAMTABB-KRWDZBQOSA-N 3 2 336.524 1.395 20 0 EDADLP COCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000054361360 441573949 /nfs/dbraw/zinc/57/39/49/441573949.db2.gz ARUNCLCZGZNIQS-MRXNPFEDSA-N 2 2 349.475 1.102 20 0 EDADLP COCC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000054361360 441573953 /nfs/dbraw/zinc/57/39/53/441573953.db2.gz ARUNCLCZGZNIQS-MRXNPFEDSA-N 2 2 349.475 1.102 20 0 EDADLP COCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000054361359 441574277 /nfs/dbraw/zinc/57/42/77/441574277.db2.gz ARUNCLCZGZNIQS-INIZCTEOSA-N 2 2 349.475 1.102 20 0 EDADLP COCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000054361359 441574280 /nfs/dbraw/zinc/57/42/80/441574280.db2.gz ARUNCLCZGZNIQS-INIZCTEOSA-N 2 2 349.475 1.102 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccccc3C)CC2)CC1 ZINC000034684215 441601092 /nfs/dbraw/zinc/60/10/92/441601092.db2.gz ZJXKMQABTRJWPN-SFHVURJKSA-N 2 2 344.503 1.670 20 0 EDADLP C[N@H+](CC(=O)N1CCNC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481181 441663295 /nfs/dbraw/zinc/66/32/95/441663295.db2.gz CJSDTDPHOUFZSS-UHFFFAOYSA-N 2 2 330.432 1.135 20 0 EDADLP C[N@@H+](CC(=O)N1CCNC1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481181 441663297 /nfs/dbraw/zinc/66/32/97/441663297.db2.gz CJSDTDPHOUFZSS-UHFFFAOYSA-N 2 2 330.432 1.135 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C[NH+]1CCOCC1 ZINC000158692874 441755808 /nfs/dbraw/zinc/75/58/08/441755808.db2.gz KQIWQTQDJAYKDK-DOTOQJQBSA-N 2 2 348.447 1.213 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000173664284 441819955 /nfs/dbraw/zinc/81/99/55/441819955.db2.gz SXMFBQNGWNGNMN-JKSUJKDBSA-N 2 2 339.867 1.780 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000173664284 441819961 /nfs/dbraw/zinc/81/99/61/441819961.db2.gz SXMFBQNGWNGNMN-JKSUJKDBSA-N 2 2 339.867 1.780 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000173645311 441813534 /nfs/dbraw/zinc/81/35/34/441813534.db2.gz ILQOJMFFMVJAEG-CVEARBPZSA-N 2 2 333.476 1.953 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[N@@H+]1C1CC1 ZINC000122924010 441867734 /nfs/dbraw/zinc/86/77/34/441867734.db2.gz UCXWVVISXGDYNJ-ZNMIVQPWSA-N 2 2 329.448 1.585 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173952788 441867957 /nfs/dbraw/zinc/86/79/57/441867957.db2.gz BMKXAGJADBSYDM-QGZVFWFLSA-N 2 2 341.459 1.706 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000119234743 441923644 /nfs/dbraw/zinc/92/36/44/441923644.db2.gz GQGIEAVXAJMGDJ-HIFRSBDPSA-N 2 2 340.431 1.692 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000119234743 441923649 /nfs/dbraw/zinc/92/36/49/441923649.db2.gz GQGIEAVXAJMGDJ-HIFRSBDPSA-N 2 2 340.431 1.692 20 0 EDADLP Cc1cc(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc[nH+]1 ZINC000119239398 441924489 /nfs/dbraw/zinc/92/44/89/441924489.db2.gz ARUOTIZGZPLOKM-OAHLLOKOSA-N 2 2 333.436 1.454 20 0 EDADLP Cc1cc(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc[nH+]1 ZINC000119239398 441924493 /nfs/dbraw/zinc/92/44/93/441924493.db2.gz ARUOTIZGZPLOKM-OAHLLOKOSA-N 2 2 333.436 1.454 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)Nc1cccc(I)c1 ZINC000123316491 441883597 /nfs/dbraw/zinc/88/35/97/441883597.db2.gz MOXXFIDBAUCEQN-UHFFFAOYSA-N 2 2 347.200 1.510 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1cccc(I)c1 ZINC000123316491 441883600 /nfs/dbraw/zinc/88/36/00/441883600.db2.gz MOXXFIDBAUCEQN-UHFFFAOYSA-N 2 2 347.200 1.510 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000093412955 441886540 /nfs/dbraw/zinc/88/65/40/441886540.db2.gz LUQKGWOVRIOMOG-UHFFFAOYSA-N 2 2 347.503 1.802 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000093412955 441886546 /nfs/dbraw/zinc/88/65/46/441886546.db2.gz LUQKGWOVRIOMOG-UHFFFAOYSA-N 2 2 347.503 1.802 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N@H+](C)C1CC1 ZINC000118130196 441891071 /nfs/dbraw/zinc/89/10/71/441891071.db2.gz DVQDRKVKYHZUSS-CYBMUJFWSA-N 2 2 341.415 1.410 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N@@H+](C)C1CC1 ZINC000118130196 441891072 /nfs/dbraw/zinc/89/10/72/441891072.db2.gz DVQDRKVKYHZUSS-CYBMUJFWSA-N 2 2 341.415 1.410 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123649405 441894725 /nfs/dbraw/zinc/89/47/25/441894725.db2.gz FNDVZVIGSIFQCJ-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123649405 441894735 /nfs/dbraw/zinc/89/47/35/441894735.db2.gz FNDVZVIGSIFQCJ-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123649405 441894740 /nfs/dbraw/zinc/89/47/40/441894740.db2.gz FNDVZVIGSIFQCJ-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123649405 441894744 /nfs/dbraw/zinc/89/47/44/441894744.db2.gz FNDVZVIGSIFQCJ-CRAIPNDOSA-N 2 2 333.476 1.864 20 0 EDADLP CCS(=O)(=O)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119299442 441927921 /nfs/dbraw/zinc/92/79/21/441927921.db2.gz BBPYOLLNXKNGPT-UHFFFAOYSA-N 2 2 332.389 1.057 20 0 EDADLP C[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000078646579 441956990 /nfs/dbraw/zinc/95/69/90/441956990.db2.gz HXOGUIPSXXNOPJ-OAHLLOKOSA-N 2 2 341.459 1.830 20 0 EDADLP C[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000078646579 441956994 /nfs/dbraw/zinc/95/69/94/441956994.db2.gz HXOGUIPSXXNOPJ-OAHLLOKOSA-N 2 2 341.459 1.830 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(Cl)cn1 ZINC000174723722 441959885 /nfs/dbraw/zinc/95/98/85/441959885.db2.gz VLXCENKNBUNKFK-UHFFFAOYSA-N 2 2 339.871 1.243 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)[C@H](C)C1 ZINC000174779323 441967709 /nfs/dbraw/zinc/96/77/09/441967709.db2.gz DEVTZRPEPFEGIX-QAPCUYQASA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)[C@H](C)C1 ZINC000174779323 441967714 /nfs/dbraw/zinc/96/77/14/441967714.db2.gz DEVTZRPEPFEGIX-QAPCUYQASA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(OC)cc2)[C@H](C)C1 ZINC000174779323 441967720 /nfs/dbraw/zinc/96/77/20/441967720.db2.gz DEVTZRPEPFEGIX-QAPCUYQASA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(OC)cc2)[C@H](C)C1 ZINC000174779323 441967723 /nfs/dbraw/zinc/96/77/23/441967723.db2.gz DEVTZRPEPFEGIX-QAPCUYQASA-N 2 2 333.476 1.974 20 0 EDADLP CC(C)[C@@H](CCO)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000161917328 442044388 /nfs/dbraw/zinc/04/43/88/442044388.db2.gz NXDOXELERCZSKJ-MRXNPFEDSA-N 2 2 339.505 1.389 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000120343809 442052873 /nfs/dbraw/zinc/05/28/73/442052873.db2.gz IVTKSQUTZMPAOE-BMFZPTHFSA-N 2 2 328.420 1.305 20 0 EDADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000120343809 442052878 /nfs/dbraw/zinc/05/28/78/442052878.db2.gz IVTKSQUTZMPAOE-BMFZPTHFSA-N 2 2 328.420 1.305 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164623190 442200580 /nfs/dbraw/zinc/20/05/80/442200580.db2.gz MPDDDLMJDQKGAJ-BRWVUGGUSA-N 2 2 343.475 1.929 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164623190 442200583 /nfs/dbraw/zinc/20/05/83/442200583.db2.gz MPDDDLMJDQKGAJ-BRWVUGGUSA-N 2 2 343.475 1.929 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000166412650 442216279 /nfs/dbraw/zinc/21/62/79/442216279.db2.gz JGGLRSKRVJSQLP-OAHLLOKOSA-N 2 2 335.448 1.394 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000166412650 442216287 /nfs/dbraw/zinc/21/62/87/442216287.db2.gz JGGLRSKRVJSQLP-OAHLLOKOSA-N 2 2 335.448 1.394 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000167509019 442221666 /nfs/dbraw/zinc/22/16/66/442221666.db2.gz WUUDHZVCYGRPPC-QRQLOZEOSA-N 2 2 345.487 1.863 20 0 EDADLP CCC[C@@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000168165335 442224047 /nfs/dbraw/zinc/22/40/47/442224047.db2.gz HVLJBCMPAFMFMO-ZIAGYGMSSA-N 2 2 325.478 1.707 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000153150660 442264937 /nfs/dbraw/zinc/26/49/37/442264937.db2.gz QCAGUEVGPSADMR-CVEARBPZSA-N 2 2 329.448 1.540 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000170837958 442273338 /nfs/dbraw/zinc/27/33/38/442273338.db2.gz OJJOSTRDNJIAFF-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000170837958 442273341 /nfs/dbraw/zinc/27/33/41/442273341.db2.gz OJJOSTRDNJIAFF-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000177029596 442288106 /nfs/dbraw/zinc/28/81/06/442288106.db2.gz DVSOMWFKZICEGA-CYBMUJFWSA-N 2 2 341.415 1.094 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000177029596 442288110 /nfs/dbraw/zinc/28/81/10/442288110.db2.gz DVSOMWFKZICEGA-CYBMUJFWSA-N 2 2 341.415 1.094 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000177029578 442288183 /nfs/dbraw/zinc/28/81/83/442288183.db2.gz DVSOMWFKZICEGA-ZDUSSCGKSA-N 2 2 341.415 1.094 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000177029578 442288185 /nfs/dbraw/zinc/28/81/85/442288185.db2.gz DVSOMWFKZICEGA-ZDUSSCGKSA-N 2 2 341.415 1.094 20 0 EDADLP COc1ccc(OC)c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177113483 442298673 /nfs/dbraw/zinc/29/86/73/442298673.db2.gz RPMAJJPWOXCNCS-UHFFFAOYSA-N 2 2 335.448 1.460 20 0 EDADLP C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177116356 442299241 /nfs/dbraw/zinc/29/92/41/442299241.db2.gz VDAXXPAWBQHOFI-KDOFPFPSSA-N 2 2 331.460 1.693 20 0 EDADLP CCCCO[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154300533 442330903 /nfs/dbraw/zinc/33/09/03/442330903.db2.gz HSYZVUTWHMIDEX-XNHLSEOASA-N 2 2 337.508 1.961 20 0 EDADLP CCCCO[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154300533 442330907 /nfs/dbraw/zinc/33/09/07/442330907.db2.gz HSYZVUTWHMIDEX-XNHLSEOASA-N 2 2 337.508 1.961 20 0 EDADLP Cc1nn(C)cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154551800 442345441 /nfs/dbraw/zinc/34/54/41/442345441.db2.gz AVPHWLFGWDLYOU-XYPWUTKMSA-N 2 2 331.464 1.112 20 0 EDADLP Cc1nn(C)cc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154551800 442345442 /nfs/dbraw/zinc/34/54/42/442345442.db2.gz AVPHWLFGWDLYOU-XYPWUTKMSA-N 2 2 331.464 1.112 20 0 EDADLP Cc1nnc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1C ZINC000177478914 442347449 /nfs/dbraw/zinc/34/74/49/442347449.db2.gz LIAWHRYRSLGLSW-HUUCEWRRSA-N 2 2 335.496 1.835 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000171101629 442312348 /nfs/dbraw/zinc/31/23/48/442312348.db2.gz TVFHKTWJBDFZKJ-UHFFFAOYSA-N 2 2 335.452 1.294 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000171101629 442312351 /nfs/dbraw/zinc/31/23/51/442312351.db2.gz TVFHKTWJBDFZKJ-UHFFFAOYSA-N 2 2 335.452 1.294 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCN(C)c2ccccc2)CC1 ZINC000171636278 442365684 /nfs/dbraw/zinc/36/56/84/442365684.db2.gz FJUICVABTBCHOP-KRWDZBQOSA-N 2 2 332.492 1.607 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCN(C)c2ccccc2)CC1 ZINC000171636278 442365687 /nfs/dbraw/zinc/36/56/87/442365687.db2.gz FJUICVABTBCHOP-KRWDZBQOSA-N 2 2 332.492 1.607 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)CSCC[NH+](C)C)CC2)c1 ZINC000171662883 442367492 /nfs/dbraw/zinc/36/74/92/442367492.db2.gz QJPFAMVSTMCYKJ-UHFFFAOYSA-N 2 2 335.517 1.934 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171687145 442369995 /nfs/dbraw/zinc/36/99/95/442369995.db2.gz NFOLNSJRUUJUIY-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171687145 442369997 /nfs/dbraw/zinc/36/99/97/442369997.db2.gz NFOLNSJRUUJUIY-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000171728141 442375106 /nfs/dbraw/zinc/37/51/06/442375106.db2.gz MNNMRUONPYZQCI-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000131868046 442381824 /nfs/dbraw/zinc/38/18/24/442381824.db2.gz RDDVPSLFVBTHBF-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000131868046 442381827 /nfs/dbraw/zinc/38/18/27/442381827.db2.gz RDDVPSLFVBTHBF-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCSCC1 ZINC000132477729 442394021 /nfs/dbraw/zinc/39/40/21/442394021.db2.gz ZRHNWJVXVOURPV-GDBMZVCRSA-N 2 2 325.522 1.804 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1CCSCC1 ZINC000132477729 442394024 /nfs/dbraw/zinc/39/40/24/442394024.db2.gz ZRHNWJVXVOURPV-GDBMZVCRSA-N 2 2 325.522 1.804 20 0 EDADLP CC(C)C[C@H](CNC(=O)[C@@H](C)[NH+]1CCSCC1)[NH+]1CCOCC1 ZINC000130868125 442358193 /nfs/dbraw/zinc/35/81/93/442358193.db2.gz YYCOMPXQDIQRNJ-HZPDHXFCSA-N 2 2 343.537 1.287 20 0 EDADLP COCC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000178601486 442446920 /nfs/dbraw/zinc/44/69/20/442446920.db2.gz XVXLHPWXPSNLMG-UHFFFAOYSA-N 2 2 349.475 1.354 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172576307 442495913 /nfs/dbraw/zinc/49/59/13/442495913.db2.gz SHJPZGUBIBOFIY-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000172576307 442495915 /nfs/dbraw/zinc/49/59/15/442495915.db2.gz SHJPZGUBIBOFIY-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000172576307 442495917 /nfs/dbraw/zinc/49/59/17/442495917.db2.gz SHJPZGUBIBOFIY-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000172576307 442495918 /nfs/dbraw/zinc/49/59/18/442495918.db2.gz SHJPZGUBIBOFIY-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP COC(=O)CN1CCC([NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000186457028 442537856 /nfs/dbraw/zinc/53/78/56/442537856.db2.gz VMCFRRXPWWPQAM-HNAYVOBHSA-N 2 2 333.476 1.905 20 0 EDADLP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000178879519 442512224 /nfs/dbraw/zinc/51/22/24/442512224.db2.gz DYLTWYLDEUDXGV-KRWDZBQOSA-N 2 2 339.443 1.150 20 0 EDADLP CC[NH+](CC)CCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000191811910 442516519 /nfs/dbraw/zinc/51/65/19/442516519.db2.gz OUMSINXFWOAMKR-UHFFFAOYSA-N 3 2 338.540 1.594 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186356171 442518027 /nfs/dbraw/zinc/51/80/27/442518027.db2.gz XPTWXRKJNHYNLG-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186356171 442518029 /nfs/dbraw/zinc/51/80/29/442518029.db2.gz XPTWXRKJNHYNLG-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186356171 442518033 /nfs/dbraw/zinc/51/80/33/442518033.db2.gz XPTWXRKJNHYNLG-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000186356171 442518035 /nfs/dbraw/zinc/51/80/35/442518035.db2.gz XPTWXRKJNHYNLG-ROUUACIJSA-N 2 2 331.460 1.440 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)c1 ZINC000172697980 442522937 /nfs/dbraw/zinc/52/29/37/442522937.db2.gz SPVKGVARKQKPMY-SFHVURJKSA-N 2 2 331.460 1.326 20 0 EDADLP CCC[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000192349504 442638379 /nfs/dbraw/zinc/63/83/79/442638379.db2.gz CURQTNVBPJTDFM-INIZCTEOSA-N 2 2 349.479 1.250 20 0 EDADLP CCC[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[N@H+]1CCOC ZINC000192349504 442638384 /nfs/dbraw/zinc/63/83/84/442638384.db2.gz CURQTNVBPJTDFM-INIZCTEOSA-N 2 2 349.479 1.250 20 0 EDADLP C[C@]1(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCCC[NH2+]1 ZINC000181003073 442674404 /nfs/dbraw/zinc/67/44/04/442674404.db2.gz LAUZLLYUOLODDN-PKOBYXMFSA-N 2 2 331.460 1.396 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)CN1CC[NH+]1CCOCC1 ZINC000181033797 442676689 /nfs/dbraw/zinc/67/66/89/442676689.db2.gz UFGKVZWRXYSATG-OKZBNKHCSA-N 2 2 335.492 1.478 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000187302219 442668307 /nfs/dbraw/zinc/66/83/07/442668307.db2.gz YVNYTNDLPPEUNJ-KRWDZBQOSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000187302219 442668312 /nfs/dbraw/zinc/66/83/12/442668312.db2.gz YVNYTNDLPPEUNJ-KRWDZBQOSA-N 2 2 337.508 1.866 20 0 EDADLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1F ZINC000180909400 442668536 /nfs/dbraw/zinc/66/85/36/442668536.db2.gz IWUMPVHSEMMFGA-YJBOKZPZSA-N 2 2 349.450 1.800 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)cc1 ZINC000180919047 442669105 /nfs/dbraw/zinc/66/91/05/442669105.db2.gz BAHSCEZBVXUKDY-YXJHDRRASA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)cc1 ZINC000180919047 442669107 /nfs/dbraw/zinc/66/91/07/442669107.db2.gz BAHSCEZBVXUKDY-YXJHDRRASA-N 2 2 331.460 1.868 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C[NH+]1CCOCC1)CC(C)C ZINC000193145735 442717051 /nfs/dbraw/zinc/71/70/51/442717051.db2.gz OUHLEHRCBRHGMJ-IAGOWNOFSA-N 2 2 342.528 1.763 20 0 EDADLP C[NH+](C)CCN1CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000193269228 442727922 /nfs/dbraw/zinc/72/79/22/442727922.db2.gz BQXBIVNCWZFANQ-UHFFFAOYSA-N 2 2 348.495 1.209 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276703 442732875 /nfs/dbraw/zinc/73/28/75/442732875.db2.gz JREGRKFIJSVIIQ-LJQANCHMSA-N 3 2 328.460 1.842 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276703 442732877 /nfs/dbraw/zinc/73/28/77/442732877.db2.gz JREGRKFIJSVIIQ-LJQANCHMSA-N 3 2 328.460 1.842 20 0 EDADLP C[NH+](CCCn1cc[nH+]c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188276703 442732879 /nfs/dbraw/zinc/73/28/79/442732879.db2.gz JREGRKFIJSVIIQ-LJQANCHMSA-N 3 2 328.460 1.842 20 0 EDADLP C[NH+](CCCn1cc[nH+]c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188276703 442732882 /nfs/dbraw/zinc/73/28/82/442732882.db2.gz JREGRKFIJSVIIQ-LJQANCHMSA-N 3 2 328.460 1.842 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCCO1 ZINC000182282867 442753155 /nfs/dbraw/zinc/75/31/55/442753155.db2.gz QSVIYWCGHDZZJM-IAGOWNOFSA-N 2 2 335.448 1.471 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000188109024 442712625 /nfs/dbraw/zinc/71/26/25/442712625.db2.gz ACPYHOQLDOSSCZ-UHFFFAOYSA-N 2 2 343.431 1.931 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000188109024 442712626 /nfs/dbraw/zinc/71/26/26/442712626.db2.gz ACPYHOQLDOSSCZ-UHFFFAOYSA-N 2 2 343.431 1.931 20 0 EDADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)C2)CC1 ZINC000188747039 442802107 /nfs/dbraw/zinc/80/21/07/442802107.db2.gz PERSWGNIHDIAQK-OAHLLOKOSA-N 2 2 345.491 1.640 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000246706507 442806530 /nfs/dbraw/zinc/80/65/30/442806530.db2.gz ZGVZZNAXJMSYGC-IRXDYDNUSA-N 2 2 349.519 1.820 20 0 EDADLP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000246706507 442806533 /nfs/dbraw/zinc/80/65/33/442806533.db2.gz ZGVZZNAXJMSYGC-IRXDYDNUSA-N 2 2 349.519 1.820 20 0 EDADLP Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1CCC[NH+]1CCCCC1 ZINC000625499966 450395736 /nfs/dbraw/zinc/39/57/36/450395736.db2.gz OPCIFWYKRZLRGI-SFHVURJKSA-N 2 2 328.464 1.967 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000182531616 442783016 /nfs/dbraw/zinc/78/30/16/442783016.db2.gz YWRDDLDRRUUDLS-HUUCEWRRSA-N 2 2 346.475 1.848 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000188796178 442815260 /nfs/dbraw/zinc/81/52/60/442815260.db2.gz KDKHOAHKPMGHGG-DOTOQJQBSA-N 2 2 334.439 1.463 20 0 EDADLP COCCC[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182869527 442838826 /nfs/dbraw/zinc/83/88/26/442838826.db2.gz HIMZJACVCKUKIV-XNHLSEOASA-N 2 2 337.508 1.819 20 0 EDADLP COCCC[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182869527 442838828 /nfs/dbraw/zinc/83/88/28/442838828.db2.gz HIMZJACVCKUKIV-XNHLSEOASA-N 2 2 337.508 1.819 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+](C)CC[C@H]3CCCC[NH+]3C)C2=O)n(C)n1 ZINC000247701613 442865853 /nfs/dbraw/zinc/86/58/53/442865853.db2.gz XZFOPFDIFODXCI-HZPDHXFCSA-N 2 2 333.480 1.640 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+](C)CC[C@H]3CCCC[NH+]3C)C2=O)n(C)n1 ZINC000247701613 442865855 /nfs/dbraw/zinc/86/58/55/442865855.db2.gz XZFOPFDIFODXCI-HZPDHXFCSA-N 2 2 333.480 1.640 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH+](C)CC[C@H]3CCCC[N@@H+]3C)C2=O)n(C)n1 ZINC000247701613 442865856 /nfs/dbraw/zinc/86/58/56/442865856.db2.gz XZFOPFDIFODXCI-HZPDHXFCSA-N 2 2 333.480 1.640 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH+](C)CC[C@H]3CCCC[N@H+]3C)C2=O)n(C)n1 ZINC000247701613 442865857 /nfs/dbraw/zinc/86/58/57/442865857.db2.gz XZFOPFDIFODXCI-HZPDHXFCSA-N 2 2 333.480 1.640 20 0 EDADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c3c(OC)cccc23)CC1 ZINC000189171096 442891468 /nfs/dbraw/zinc/89/14/68/442891468.db2.gz DHKOPKXBGBITOG-UHFFFAOYSA-N 2 2 328.416 1.866 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[NH+]2CCCC2)CC1 ZINC000183384312 442926543 /nfs/dbraw/zinc/92/65/43/442926543.db2.gz JISVPBYBHUMUMI-OAHLLOKOSA-N 2 2 339.480 1.252 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(-n2cccn2)c1 ZINC000183569950 318526488 /nfs/dbraw/zinc/52/64/88/318526488.db2.gz AGPXLYUZHLVOLV-OAHLLOKOSA-N 2 2 327.432 1.297 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C[C@H]1[NH+](C)C ZINC000268338088 442953956 /nfs/dbraw/zinc/95/39/56/442953956.db2.gz GJBJNEYLUOVFHC-GOEBONIOSA-N 2 2 347.463 1.010 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000296595357 318710557 /nfs/dbraw/zinc/71/05/57/318710557.db2.gz XWZXHNHZPXNYAZ-FUHWJXTLSA-N 2 2 333.476 1.873 20 0 EDADLP CC[C@H](C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000268748518 443095820 /nfs/dbraw/zinc/09/58/20/443095820.db2.gz SZRQTGBTGNQLDF-HZPDHXFCSA-N 2 2 333.480 1.049 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C[N@@H+]1C1CC1 ZINC000185098885 443136488 /nfs/dbraw/zinc/13/64/88/443136488.db2.gz BOWUAAAYCQDTSJ-GOEBONIOSA-N 2 2 349.500 1.941 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C[N@H+]1C1CC1 ZINC000185098885 443136492 /nfs/dbraw/zinc/13/64/92/443136492.db2.gz BOWUAAAYCQDTSJ-GOEBONIOSA-N 2 2 349.500 1.941 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000190422863 443104880 /nfs/dbraw/zinc/10/48/80/443104880.db2.gz WMQFZNBZDVHTFD-HOTGVXAUSA-N 2 2 348.516 1.804 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCSC[C@@H](C)C1 ZINC000190422863 443104882 /nfs/dbraw/zinc/10/48/82/443104882.db2.gz WMQFZNBZDVHTFD-HOTGVXAUSA-N 2 2 348.516 1.804 20 0 EDADLP C/C(=C/c1ccccc1)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000255767172 443109289 /nfs/dbraw/zinc/10/92/89/443109289.db2.gz FTVDHHWNKVURAM-LYDJUCFBSA-N 2 2 343.471 1.613 20 0 EDADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cn(C(C)(C)C)nn3)ccn2)CC1 ZINC000190776418 443181362 /nfs/dbraw/zinc/18/13/62/443181362.db2.gz XGPRMNWAEXNYIR-UHFFFAOYSA-N 2 2 343.479 1.470 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000262066005 443182464 /nfs/dbraw/zinc/18/24/64/443182464.db2.gz RPIMRTQIDDQIIQ-GOSISDBHSA-N 2 2 341.459 1.692 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000262066005 443182469 /nfs/dbraw/zinc/18/24/69/443182469.db2.gz RPIMRTQIDDQIIQ-GOSISDBHSA-N 2 2 341.459 1.692 20 0 EDADLP CN(CCC[NH+](C)C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000185326740 443183858 /nfs/dbraw/zinc/18/38/58/443183858.db2.gz BXDDYUFBXBQKNC-UHFFFAOYSA-N 2 2 335.452 1.011 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[NH+](C)CC1 ZINC000266765455 443233503 /nfs/dbraw/zinc/23/35/03/443233503.db2.gz IABAHQAKLZJHOZ-KRWDZBQOSA-N 2 2 345.491 1.154 20 0 EDADLP COC1(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCCC1 ZINC000185731450 443247244 /nfs/dbraw/zinc/24/72/44/443247244.db2.gz ZVJYULFDYBWPMC-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)c1 ZINC000269247295 443249796 /nfs/dbraw/zinc/24/97/96/443249796.db2.gz QOTNLDGITKKIIA-QGZVFWFLSA-N 2 2 335.448 1.331 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397306046 319133954 /nfs/dbraw/zinc/13/39/54/319133954.db2.gz GWWPJWFCQIKKLT-WOPDTQHZSA-N 2 2 339.461 1.778 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397306046 319133957 /nfs/dbraw/zinc/13/39/57/319133957.db2.gz GWWPJWFCQIKKLT-WOPDTQHZSA-N 2 2 339.461 1.778 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2cccc3nsnc32)C[C@H]1C[NH3+] ZINC000397333925 319133965 /nfs/dbraw/zinc/13/39/65/319133965.db2.gz SFPJJMXQEUBJKD-IJLUTSLNSA-N 2 2 333.461 1.935 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2cccc3nsnc32)C[C@H]1C[NH3+] ZINC000397333925 319133967 /nfs/dbraw/zinc/13/39/67/319133967.db2.gz SFPJJMXQEUBJKD-IJLUTSLNSA-N 2 2 333.461 1.935 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397590109 319136083 /nfs/dbraw/zinc/13/60/83/319136083.db2.gz LVZJNQMPAOSOIU-MJGOQNOKSA-N 3 2 347.503 1.370 20 0 EDADLP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)C(=O)OCC ZINC000411647476 319191528 /nfs/dbraw/zinc/19/15/28/319191528.db2.gz RAYPIXQJTKTOHV-AWEZNQCLSA-N 2 2 327.469 1.251 20 0 EDADLP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)C(=O)OCC ZINC000411647476 319191530 /nfs/dbraw/zinc/19/15/30/319191530.db2.gz RAYPIXQJTKTOHV-AWEZNQCLSA-N 2 2 327.469 1.251 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000266819413 443254573 /nfs/dbraw/zinc/25/45/73/443254573.db2.gz JFIVDIPXBDTVBV-BBWFWOEESA-N 2 2 333.476 1.732 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000266819413 443254577 /nfs/dbraw/zinc/25/45/77/443254577.db2.gz JFIVDIPXBDTVBV-BBWFWOEESA-N 2 2 333.476 1.732 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000413046094 319259850 /nfs/dbraw/zinc/25/98/50/319259850.db2.gz ZFCBVWAOVJWOLU-LSDHHAIUSA-N 2 2 333.480 1.968 20 0 EDADLP CC(C)[NH+]1CCC(Nc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000413046094 319259853 /nfs/dbraw/zinc/25/98/53/319259853.db2.gz ZFCBVWAOVJWOLU-LSDHHAIUSA-N 2 2 333.480 1.968 20 0 EDADLP COCCNC(=O)C1([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000414211069 319320730 /nfs/dbraw/zinc/32/07/30/319320730.db2.gz OEXOEKUCIAXVIN-RDJZCZTQSA-N 2 2 337.508 1.914 20 0 EDADLP CCc1ncc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000414267623 319323304 /nfs/dbraw/zinc/32/33/04/319323304.db2.gz IVJZJRDCIUVHLS-GOSISDBHSA-N 2 2 326.444 1.548 20 0 EDADLP CCc1ncc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000414267623 319323306 /nfs/dbraw/zinc/32/33/06/319323306.db2.gz IVJZJRDCIUVHLS-GOSISDBHSA-N 2 2 326.444 1.548 20 0 EDADLP C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000264394923 443276161 /nfs/dbraw/zinc/27/61/61/443276161.db2.gz GMHKEXITCKJXDB-MJGOQNOKSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000264394923 443276165 /nfs/dbraw/zinc/27/61/65/443276165.db2.gz GMHKEXITCKJXDB-MJGOQNOKSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[C@H]1C[NH3+] ZINC000416930311 319477151 /nfs/dbraw/zinc/47/71/51/319477151.db2.gz KLFUKUJCIJZENA-GDBMZVCRSA-N 2 2 347.463 1.045 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCc2cccc3c2OCO3)CC1 ZINC000186028812 443299650 /nfs/dbraw/zinc/29/96/50/443299650.db2.gz LOLKDWDXLPNOJD-UHFFFAOYSA-N 2 2 347.459 1.490 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCOC1 ZINC000264617313 443348349 /nfs/dbraw/zinc/34/83/49/443348349.db2.gz QYIAQZXVDUQGKC-LJQANCHMSA-N 2 2 345.487 1.689 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCCOC1 ZINC000264617313 443348354 /nfs/dbraw/zinc/34/83/54/443348354.db2.gz QYIAQZXVDUQGKC-LJQANCHMSA-N 2 2 345.487 1.689 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000420380743 319612796 /nfs/dbraw/zinc/61/27/96/319612796.db2.gz YSBCRIIJEMMZDC-PBFPGSCMSA-N 2 2 347.488 1.908 20 0 EDADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)/C=C/C[NH+](C)C ZINC000267329948 443420683 /nfs/dbraw/zinc/42/06/83/443420683.db2.gz REHLXLRIOVASRT-NFBGWVBBSA-N 2 2 337.489 1.698 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC1 ZINC000278706906 443408587 /nfs/dbraw/zinc/40/85/87/443408587.db2.gz UDMGVERWTFCKIM-AWEZNQCLSA-N 2 2 348.447 1.856 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@H](c2ccccc2)C1 ZINC000264929927 443480538 /nfs/dbraw/zinc/48/05/38/443480538.db2.gz YSFPDPWCWHSORD-KRWDZBQOSA-N 2 2 348.516 1.734 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@H](c2ccccc2)C1 ZINC000264929927 443480543 /nfs/dbraw/zinc/48/05/43/443480543.db2.gz YSFPDPWCWHSORD-KRWDZBQOSA-N 2 2 348.516 1.734 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267447451 443460428 /nfs/dbraw/zinc/46/04/28/443460428.db2.gz QIPXMDUHBIPIML-KBPBESRZSA-N 2 2 336.436 1.293 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267447451 443460433 /nfs/dbraw/zinc/46/04/33/443460433.db2.gz QIPXMDUHBIPIML-KBPBESRZSA-N 2 2 336.436 1.293 20 0 EDADLP CC(C)C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(=O)NCC[NH+](C)C ZINC000423023861 319746977 /nfs/dbraw/zinc/74/69/77/319746977.db2.gz IHGLXEPAOQXVIW-KURKYZTESA-N 3 2 332.492 1.813 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)ccc1S(C)(=O)=O ZINC000423405160 319772025 /nfs/dbraw/zinc/77/20/25/319772025.db2.gz ZOQRDXHUWXLUKC-SCRDCRAPSA-N 2 2 326.462 1.890 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)ccc1S(C)(=O)=O ZINC000423405161 319772298 /nfs/dbraw/zinc/77/22/98/319772298.db2.gz ZOQRDXHUWXLUKC-SGMGOOAPSA-N 2 2 326.462 1.890 20 0 EDADLP C[C@@H](c1nnnn1C)[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000283084345 443517061 /nfs/dbraw/zinc/51/70/61/443517061.db2.gz LEAQNJDRAVFHLT-QWHCGFSZSA-N 2 2 347.492 1.714 20 0 EDADLP C[C@@H](c1nnnn1C)[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000283084345 443517064 /nfs/dbraw/zinc/51/70/64/443517064.db2.gz LEAQNJDRAVFHLT-QWHCGFSZSA-N 2 2 347.492 1.714 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000423750214 319810730 /nfs/dbraw/zinc/81/07/30/319810730.db2.gz XFWXFRJYLRJNFP-QGZVFWFLSA-N 2 2 327.432 1.073 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000264966674 443494573 /nfs/dbraw/zinc/49/45/73/443494573.db2.gz CHYIODIXTJHMJR-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000264966674 443494577 /nfs/dbraw/zinc/49/45/77/443494577.db2.gz CHYIODIXTJHMJR-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP COc1cc[nH+]c(N2CCN(Cc3c[nH+]c(N(C)C)n3C)CC2)c1 ZINC000425320771 319831135 /nfs/dbraw/zinc/83/11/35/319831135.db2.gz DGDDWOCAIYQYTP-UHFFFAOYSA-N 2 2 330.436 1.212 20 0 EDADLP C[C@H](CS(C)(=O)=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272160900 443544770 /nfs/dbraw/zinc/54/47/70/443544770.db2.gz BSKICOLKKFHEEP-CYBMUJFWSA-N 2 2 340.493 1.457 20 0 EDADLP CC[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[N@@H+]1CCOC ZINC000265356018 443614605 /nfs/dbraw/zinc/61/46/05/443614605.db2.gz SCRPWOCATSUKOS-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP CC[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[N@H+]1CCOC ZINC000265356018 443614606 /nfs/dbraw/zinc/61/46/06/443614606.db2.gz SCRPWOCATSUKOS-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000434258500 319995086 /nfs/dbraw/zinc/99/50/86/319995086.db2.gz CSYXHSHGGUAQIL-OAHLLOKOSA-N 2 2 340.512 1.611 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1)[NH+](CC)CC ZINC000276167936 443660369 /nfs/dbraw/zinc/66/03/69/443660369.db2.gz BBNZONROVREKQM-LSDHHAIUSA-N 2 2 348.495 1.212 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1)[NH+](CC)CC ZINC000276167936 443660371 /nfs/dbraw/zinc/66/03/71/443660371.db2.gz BBNZONROVREKQM-LSDHHAIUSA-N 2 2 348.495 1.212 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@H+](C)CCN3CCOCC3)CCC[NH+]2C)cn1 ZINC000434744163 320001208 /nfs/dbraw/zinc/00/12/08/320001208.db2.gz SMCSFPWLLWBLSM-FUHWJXTLSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCN3CCOCC3)CCC[NH+]2C)cn1 ZINC000434744163 320001211 /nfs/dbraw/zinc/00/12/11/320001211.db2.gz SMCSFPWLLWBLSM-FUHWJXTLSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)CCN3CCOCC3)CCC[N@@H+]2C)cn1 ZINC000434744163 320001214 /nfs/dbraw/zinc/00/12/14/320001214.db2.gz SMCSFPWLLWBLSM-FUHWJXTLSA-N 2 2 335.496 1.067 20 0 EDADLP Cn1cc([C@H]2[C@H](C[NH+](C)CCN3CCOCC3)CCC[N@H+]2C)cn1 ZINC000434744163 320001216 /nfs/dbraw/zinc/00/12/16/320001216.db2.gz SMCSFPWLLWBLSM-FUHWJXTLSA-N 2 2 335.496 1.067 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000440068121 320060942 /nfs/dbraw/zinc/06/09/42/320060942.db2.gz CHUDIJUCDPLSSQ-XDNAFOTISA-N 2 2 325.497 1.017 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000440068121 320060945 /nfs/dbraw/zinc/06/09/45/320060945.db2.gz CHUDIJUCDPLSSQ-XDNAFOTISA-N 2 2 325.497 1.017 20 0 EDADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441036591 320086498 /nfs/dbraw/zinc/08/64/98/320086498.db2.gz SLVBHXPOYMEFAR-IAGOWNOFSA-N 2 2 338.540 1.780 20 0 EDADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345408 320093718 /nfs/dbraw/zinc/09/37/18/320093718.db2.gz GSDMBFUOOHTHST-KRWDZBQOSA-N 3 2 336.524 1.536 20 0 EDADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345408 320093720 /nfs/dbraw/zinc/09/37/20/320093720.db2.gz GSDMBFUOOHTHST-KRWDZBQOSA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345408 320093721 /nfs/dbraw/zinc/09/37/21/320093721.db2.gz GSDMBFUOOHTHST-KRWDZBQOSA-N 3 2 336.524 1.536 20 0 EDADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345408 320093723 /nfs/dbraw/zinc/09/37/23/320093723.db2.gz GSDMBFUOOHTHST-KRWDZBQOSA-N 3 2 336.524 1.536 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(N2CCC2)nc1 ZINC000448974443 320168002 /nfs/dbraw/zinc/16/80/02/320168002.db2.gz KNEPERFJRLMUQL-UHFFFAOYSA-N 2 2 345.491 1.390 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(N2CCC2)nc1 ZINC000448974443 320168004 /nfs/dbraw/zinc/16/80/04/320168004.db2.gz KNEPERFJRLMUQL-UHFFFAOYSA-N 2 2 345.491 1.390 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449441523 320190819 /nfs/dbraw/zinc/19/08/19/320190819.db2.gz GTWBUBRGNVVPCT-OIISXLGYSA-N 2 2 339.505 1.739 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449441523 320190821 /nfs/dbraw/zinc/19/08/21/320190821.db2.gz GTWBUBRGNVVPCT-OIISXLGYSA-N 2 2 339.505 1.739 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000280145093 443672535 /nfs/dbraw/zinc/67/25/35/443672535.db2.gz WULJITYWUFUUNE-CVEARBPZSA-N 2 2 347.463 1.022 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000459315638 320346112 /nfs/dbraw/zinc/34/61/12/320346112.db2.gz RRBPPGMONRGIFB-UHFFFAOYSA-N 2 2 330.407 1.950 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000459315638 320346113 /nfs/dbraw/zinc/34/61/13/320346113.db2.gz RRBPPGMONRGIFB-UHFFFAOYSA-N 2 2 330.407 1.950 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459323929 320346749 /nfs/dbraw/zinc/34/67/49/320346749.db2.gz UZEOWETZLKLHAX-ZACQAIPSSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459323929 320346750 /nfs/dbraw/zinc/34/67/50/320346750.db2.gz UZEOWETZLKLHAX-ZACQAIPSSA-N 2 2 338.496 1.223 20 0 EDADLP Cn1cc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cn1 ZINC000489785953 320362057 /nfs/dbraw/zinc/36/20/57/320362057.db2.gz ZEDNXWNCARHCJL-DLBZAZTESA-N 2 2 348.495 1.120 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000492758890 320385072 /nfs/dbraw/zinc/38/50/72/320385072.db2.gz BGMRXWQZWFFMBS-YHLLGKTKSA-N 2 2 326.400 1.175 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000492758890 320385073 /nfs/dbraw/zinc/38/50/73/320385073.db2.gz BGMRXWQZWFFMBS-YHLLGKTKSA-N 2 2 326.400 1.175 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3ccc(C(F)F)n3)C2)CC1 ZINC000625518495 450405874 /nfs/dbraw/zinc/40/58/74/450405874.db2.gz BUFNQGMMWCLRTJ-LBPRGKRZSA-N 2 2 341.406 1.105 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3ccc(C(F)F)n3)C2)CC1 ZINC000625518495 450405875 /nfs/dbraw/zinc/40/58/75/450405875.db2.gz BUFNQGMMWCLRTJ-LBPRGKRZSA-N 2 2 341.406 1.105 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000290939700 443716381 /nfs/dbraw/zinc/71/63/81/443716381.db2.gz ZYHIUHAXJYYPGF-KRWDZBQOSA-N 2 2 341.459 1.784 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000290939700 443716385 /nfs/dbraw/zinc/71/63/85/443716385.db2.gz ZYHIUHAXJYYPGF-KRWDZBQOSA-N 2 2 341.459 1.784 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CCN1C ZINC000276564147 443748000 /nfs/dbraw/zinc/74/80/00/443748000.db2.gz GLWNFQOHBIWGJW-SJORKVTESA-N 2 2 341.459 1.538 20 0 EDADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1C1CC[NH+](C2CCCCC2)CC1 ZINC000288236716 443815746 /nfs/dbraw/zinc/81/57/46/443815746.db2.gz ITIDAENABSWFNU-INIZCTEOSA-N 2 2 345.447 1.670 20 0 EDADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1=O ZINC000531052332 320646730 /nfs/dbraw/zinc/64/67/30/320646730.db2.gz HDVZMLHGORWHAV-CQSZACIVSA-N 2 2 341.415 1.425 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2c[nH]c(C(F)(F)F)c2)CC1 ZINC000292931579 443882127 /nfs/dbraw/zinc/88/21/27/443882127.db2.gz XBSCMZYSFKXKCW-UHFFFAOYSA-N 2 2 332.370 1.789 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1 ZINC000285188556 443888658 /nfs/dbraw/zinc/88/86/58/443888658.db2.gz NNBPCSNHYVZZFN-UHFFFAOYSA-N 2 2 331.507 1.395 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccsc1 ZINC000285188556 443888663 /nfs/dbraw/zinc/88/86/63/443888663.db2.gz NNBPCSNHYVZZFN-UHFFFAOYSA-N 2 2 331.507 1.395 20 0 EDADLP COCCO[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285310805 443937260 /nfs/dbraw/zinc/93/72/60/443937260.db2.gz MVMSPTOFBOWVGN-FQEVSTJZSA-N 2 2 347.503 1.936 20 0 EDADLP COCCO[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000285310805 443937262 /nfs/dbraw/zinc/93/72/62/443937262.db2.gz MVMSPTOFBOWVGN-FQEVSTJZSA-N 2 2 347.503 1.936 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277101187 443911954 /nfs/dbraw/zinc/91/19/54/443911954.db2.gz GLWNPKYJYBDNJZ-MRXNPFEDSA-N 2 2 339.505 1.853 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277101187 443911959 /nfs/dbraw/zinc/91/19/59/443911959.db2.gz GLWNPKYJYBDNJZ-MRXNPFEDSA-N 2 2 339.505 1.853 20 0 EDADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000281451513 443915027 /nfs/dbraw/zinc/91/50/27/443915027.db2.gz AHLXIVDPAJOFKF-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000281451513 443915031 /nfs/dbraw/zinc/91/50/31/443915031.db2.gz AHLXIVDPAJOFKF-HKUYNNGSSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1[nH+]ccn1CCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000277313938 443961838 /nfs/dbraw/zinc/96/18/38/443961838.db2.gz CSWMQJRDILVOAD-OAHLLOKOSA-N 2 2 330.436 1.835 20 0 EDADLP Cc1[nH+]ccn1CCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000277313938 443961841 /nfs/dbraw/zinc/96/18/41/443961841.db2.gz CSWMQJRDILVOAD-OAHLLOKOSA-N 2 2 330.436 1.835 20 0 EDADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000548086209 320860048 /nfs/dbraw/zinc/86/00/48/320860048.db2.gz NENHGORKLOZPRZ-GJZGRUSLSA-N 2 2 332.448 1.543 20 0 EDADLP CC(C)n1cc([C@@]2(O)CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)nn1 ZINC000285481230 444000995 /nfs/dbraw/zinc/00/09/95/444000995.db2.gz LSMKIYBMVCYSPI-GOSISDBHSA-N 2 2 340.431 1.990 20 0 EDADLP CC(C)n1cc([C@@]2(O)CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)nn1 ZINC000285481230 444000998 /nfs/dbraw/zinc/00/09/98/444000998.db2.gz LSMKIYBMVCYSPI-GOSISDBHSA-N 2 2 340.431 1.990 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)C[N@@H+]1C1CC1 ZINC000285589894 444039987 /nfs/dbraw/zinc/03/99/87/444039987.db2.gz UMNYKPBZKAXZOI-UONOGXRCSA-N 2 2 327.428 1.888 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)C[N@H+]1C1CC1 ZINC000285589894 444039993 /nfs/dbraw/zinc/03/99/93/444039993.db2.gz UMNYKPBZKAXZOI-UONOGXRCSA-N 2 2 327.428 1.888 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000552868197 320932164 /nfs/dbraw/zinc/93/21/64/320932164.db2.gz RGHVUDWTFZLTRE-MRXNPFEDSA-N 2 2 331.460 1.475 20 0 EDADLP Cc1ccc(NC(=O)CC[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000556049849 320975156 /nfs/dbraw/zinc/97/51/56/320975156.db2.gz INFXKUBYUWJBRG-HZPDHXFCSA-N 2 2 334.464 1.808 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000299501280 444063449 /nfs/dbraw/zinc/06/34/49/444063449.db2.gz HZZFGGIQZPKXGA-KRWDZBQOSA-N 2 2 334.439 1.158 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000299501280 444063452 /nfs/dbraw/zinc/06/34/52/444063452.db2.gz HZZFGGIQZPKXGA-KRWDZBQOSA-N 2 2 334.439 1.158 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000557254674 321001077 /nfs/dbraw/zinc/00/10/77/321001077.db2.gz METIOGZZLXFEAX-QAQDUYKDSA-N 2 2 345.491 1.674 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)[NH+]1CCOCC1 ZINC000561108599 321032898 /nfs/dbraw/zinc/03/28/98/321032898.db2.gz CJFCIKAJBLIXCT-WBVHZDCISA-N 2 2 325.497 1.580 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000561145187 321035040 /nfs/dbraw/zinc/03/50/40/321035040.db2.gz DSQYAUSJCTYTCI-PBHICJAKSA-N 2 2 327.432 1.729 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000562816964 321078636 /nfs/dbraw/zinc/07/86/36/321078636.db2.gz RAJSSSJWQFMEMM-ZBFHGGJFSA-N 2 2 331.464 1.846 20 0 EDADLP Cc1[nH+]c2cc(CNC(=O)C[C@H]3C[NH2+]CCO3)ccc2n1C1CC1 ZINC000563094935 321095119 /nfs/dbraw/zinc/09/51/19/321095119.db2.gz KVQNCJMZENNUJJ-HNNXBMFYSA-N 2 2 328.416 1.674 20 0 EDADLP C[C@@H]1CSCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000564500423 321134847 /nfs/dbraw/zinc/13/48/47/321134847.db2.gz UODTWEBHIZLSFS-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP C[C@@H]1CSCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000564500423 321134848 /nfs/dbraw/zinc/13/48/48/321134848.db2.gz UODTWEBHIZLSFS-CQSZACIVSA-N 2 2 339.530 1.830 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cncc(Br)c1 ZINC000564585113 321136376 /nfs/dbraw/zinc/13/63/76/321136376.db2.gz KSFXNDDKDJGAKT-SMDDNHRTSA-N 2 2 328.254 1.951 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C2CCc3ccccc3CC2)C[C@H](C)O1 ZINC000564859973 321152386 /nfs/dbraw/zinc/15/23/86/321152386.db2.gz LJMPGLSXSUYOSG-YRNRMSPPSA-N 2 2 332.488 1.994 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C2CCc3ccccc3CC2)C[C@H](C)O1 ZINC000564859973 321152387 /nfs/dbraw/zinc/15/23/87/321152387.db2.gz LJMPGLSXSUYOSG-YRNRMSPPSA-N 2 2 332.488 1.994 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCCc2ccccc21 ZINC000565311765 321181051 /nfs/dbraw/zinc/18/10/51/321181051.db2.gz JGCWGVCCEMGPBR-PKOBYXMFSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCCc2ccccc21 ZINC000565311765 321181052 /nfs/dbraw/zinc/18/10/52/321181052.db2.gz JGCWGVCCEMGPBR-PKOBYXMFSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000565311765 321181053 /nfs/dbraw/zinc/18/10/53/321181053.db2.gz JGCWGVCCEMGPBR-PKOBYXMFSA-N 2 2 336.476 1.297 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000565311765 321181055 /nfs/dbraw/zinc/18/10/55/321181055.db2.gz JGCWGVCCEMGPBR-PKOBYXMFSA-N 2 2 336.476 1.297 20 0 EDADLP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000565660278 321196018 /nfs/dbraw/zinc/19/60/18/321196018.db2.gz KKQJFEIQOHCHQL-QAPCUYQASA-N 2 2 342.443 1.873 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000566089487 321214074 /nfs/dbraw/zinc/21/40/74/321214074.db2.gz CRSWWTVKFOZFOC-YPMHNXCESA-N 2 2 326.824 1.968 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]CCOc1cccc(Br)c1)C1CC1 ZINC000566106597 321215300 /nfs/dbraw/zinc/21/53/00/321215300.db2.gz VAEGCVVFTYFLNT-AWEZNQCLSA-N 2 2 343.265 1.873 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOc1cccc(Br)c1)C1CC1 ZINC000566106597 321215302 /nfs/dbraw/zinc/21/53/02/321215302.db2.gz VAEGCVVFTYFLNT-AWEZNQCLSA-N 2 2 343.265 1.873 20 0 EDADLP COCC[NH2+]C1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000566317235 321227086 /nfs/dbraw/zinc/22/70/86/321227086.db2.gz HHTBUOZQIPDCCL-UHFFFAOYSA-N 2 2 335.473 1.800 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000567905059 321268267 /nfs/dbraw/zinc/26/82/67/321268267.db2.gz ZSAPZLZYAMXDIE-AWEZNQCLSA-N 2 2 339.505 1.496 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000567981930 321270864 /nfs/dbraw/zinc/27/08/64/321270864.db2.gz CNKATPAKQIPART-CYBMUJFWSA-N 2 2 341.402 1.602 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000568577960 321296785 /nfs/dbraw/zinc/29/67/85/321296785.db2.gz GGTFOFJUZXJLKI-OAHLLOKOSA-N 2 2 348.447 1.065 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC(C)(C)OCCO)c2cc1C ZINC000568884417 321309990 /nfs/dbraw/zinc/30/99/90/321309990.db2.gz NRIBFZPMZNJPEB-OAHLLOKOSA-N 2 2 335.448 1.391 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCc4c[nH]nc4C3)c2cc1C ZINC000570625691 321350879 /nfs/dbraw/zinc/35/08/79/321350879.db2.gz GVPWPNMSDQBNLK-JKSUJKDBSA-N 2 2 339.443 1.884 20 0 EDADLP Cc1noc(C)c1[C@H](C)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570921327 321362753 /nfs/dbraw/zinc/36/27/53/321362753.db2.gz WWMJEYCQLAZVIG-FOCJUVANSA-N 2 2 325.453 1.455 20 0 EDADLP Cc1noc(C)c1[C@H](C)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570921327 321362754 /nfs/dbraw/zinc/36/27/54/321362754.db2.gz WWMJEYCQLAZVIG-FOCJUVANSA-N 2 2 325.453 1.455 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C2CCN(C(=O)c3ccccc3O)CC2)n1C ZINC000571226347 321378339 /nfs/dbraw/zinc/37/83/39/321378339.db2.gz NPCXATQLHMOIQU-UHFFFAOYSA-N 2 2 328.416 1.829 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCn2cnc3ccccc32)C[C@H](C)O1 ZINC000571551835 321391453 /nfs/dbraw/zinc/39/14/53/321391453.db2.gz VWMOPKNXVBSRLJ-BBWFWOEESA-N 2 2 346.475 1.486 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCn2cnc3ccccc32)C[C@H](C)O1 ZINC000571551835 321391454 /nfs/dbraw/zinc/39/14/54/321391454.db2.gz VWMOPKNXVBSRLJ-BBWFWOEESA-N 2 2 346.475 1.486 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000294282367 444110896 /nfs/dbraw/zinc/11/08/96/444110896.db2.gz OYELGIPTKIHOQA-AWEZNQCLSA-N 2 2 341.402 1.703 20 0 EDADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000572225913 321421515 /nfs/dbraw/zinc/42/15/15/321421515.db2.gz ROEBKBIFSXENPT-ZBFHGGJFSA-N 2 2 343.431 1.636 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1-n1ccnn1 ZINC000285897766 444145848 /nfs/dbraw/zinc/14/58/48/444145848.db2.gz CNCGHCAFRRWYJG-WMLDXEAASA-N 2 2 342.447 1.258 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccccc1-n1ccnn1 ZINC000285897766 444145851 /nfs/dbraw/zinc/14/58/51/444145851.db2.gz CNCGHCAFRRWYJG-WMLDXEAASA-N 2 2 342.447 1.258 20 0 EDADLP Cn1cc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)s2)cn1 ZINC000282320046 444146593 /nfs/dbraw/zinc/14/65/93/444146593.db2.gz UBPHKEHAVFYAQT-OAHLLOKOSA-N 2 2 347.488 1.578 20 0 EDADLP Cn1cc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)s2)cn1 ZINC000282320046 444146597 /nfs/dbraw/zinc/14/65/97/444146597.db2.gz UBPHKEHAVFYAQT-OAHLLOKOSA-N 2 2 347.488 1.578 20 0 EDADLP CN(C)C(=O)c1ccc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)[nH]1 ZINC000289494047 444158183 /nfs/dbraw/zinc/15/81/83/444158183.db2.gz SACQEXZXIUJUMW-UHFFFAOYSA-N 2 2 335.496 1.174 20 0 EDADLP CN(C)C(=O)c1ccc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[nH]1 ZINC000289494047 444158187 /nfs/dbraw/zinc/15/81/87/444158187.db2.gz SACQEXZXIUJUMW-UHFFFAOYSA-N 2 2 335.496 1.174 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)[nH]1 ZINC000289494047 444158189 /nfs/dbraw/zinc/15/81/89/444158189.db2.gz SACQEXZXIUJUMW-UHFFFAOYSA-N 2 2 335.496 1.174 20 0 EDADLP CN(C)C(=O)c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)[nH]1 ZINC000289494047 444158192 /nfs/dbraw/zinc/15/81/92/444158192.db2.gz SACQEXZXIUJUMW-UHFFFAOYSA-N 2 2 335.496 1.174 20 0 EDADLP O=C(N1CC[NH+](Cc2cccc(O)c2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000285841928 444126435 /nfs/dbraw/zinc/12/64/35/444126435.db2.gz WLPJBOFCBLCICL-FXAWDEMLSA-N 2 2 343.471 1.816 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301534525 444178092 /nfs/dbraw/zinc/17/80/92/444178092.db2.gz LJNQMKAJSPOBSM-INIZCTEOSA-N 2 2 333.480 1.972 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301534525 444178095 /nfs/dbraw/zinc/17/80/95/444178095.db2.gz LJNQMKAJSPOBSM-INIZCTEOSA-N 2 2 333.480 1.972 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000576688401 321587169 /nfs/dbraw/zinc/58/71/69/321587169.db2.gz ZGKWJQRTJDMZED-HOTGVXAUSA-N 2 2 331.464 1.902 20 0 EDADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000305204994 444264867 /nfs/dbraw/zinc/26/48/67/444264867.db2.gz CHZDQCFRBGAZGW-IBGZPJMESA-N 2 2 330.476 1.950 20 0 EDADLP CC(C)[NH+]1CC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000297015647 444268248 /nfs/dbraw/zinc/26/82/48/444268248.db2.gz HTUQSJQUBBRUIW-SFHVURJKSA-N 2 2 331.460 1.393 20 0 EDADLP CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)s1 ZINC000577192715 321631865 /nfs/dbraw/zinc/63/18/65/321631865.db2.gz SFVLULVPTBNHCV-VHSXEESVSA-N 2 2 336.465 1.895 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000304301497 444245919 /nfs/dbraw/zinc/24/59/19/444245919.db2.gz LPEBXEMHGNTCKY-ROUUACIJSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000304301497 444245922 /nfs/dbraw/zinc/24/59/22/444245922.db2.gz LPEBXEMHGNTCKY-ROUUACIJSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C)c2cc1C ZINC000297590337 444304940 /nfs/dbraw/zinc/30/49/40/444304940.db2.gz JFFWBMRMBDRBJF-KSSFIOAISA-N 2 2 332.448 1.504 20 0 EDADLP C[C@H](C(=O)NCCC[NH+](C)CCN(C)C)[N@H+](C)Cc1ccccc1 ZINC000290759470 444319995 /nfs/dbraw/zinc/31/99/95/444319995.db2.gz ZOIYNCQQGPNSJV-QGZVFWFLSA-N 2 2 334.508 1.507 20 0 EDADLP C[C@H](C(=O)NCCC[NH+](C)CCN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000290759470 444319997 /nfs/dbraw/zinc/31/99/97/444319997.db2.gz ZOIYNCQQGPNSJV-QGZVFWFLSA-N 2 2 334.508 1.507 20 0 EDADLP C[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)[NH+](C)Cc1ccccc1 ZINC000290759470 444319999 /nfs/dbraw/zinc/31/99/99/444319999.db2.gz ZOIYNCQQGPNSJV-QGZVFWFLSA-N 2 2 334.508 1.507 20 0 EDADLP C[C@H](C(=O)NCCC[N@@H+](C)CCN(C)C)[NH+](C)Cc1ccccc1 ZINC000290759470 444320001 /nfs/dbraw/zinc/32/00/01/444320001.db2.gz ZOIYNCQQGPNSJV-QGZVFWFLSA-N 2 2 334.508 1.507 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000337676629 444346124 /nfs/dbraw/zinc/34/61/24/444346124.db2.gz DONWNJINILJCMA-MJGOQNOKSA-N 2 2 345.487 1.860 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000297896841 444351095 /nfs/dbraw/zinc/35/10/95/444351095.db2.gz PYDRDWZTMMLSDR-JKSUJKDBSA-N 2 2 349.479 1.091 20 0 EDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000578445669 321775888 /nfs/dbraw/zinc/77/58/88/321775888.db2.gz NHHATWGRKJRETM-NUJGCVRESA-N 3 2 341.459 1.045 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000578653179 321810481 /nfs/dbraw/zinc/81/04/81/321810481.db2.gz QYANOXHQHCSFGW-UHFFFAOYSA-N 2 2 342.447 1.153 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc[nH+]c(N(C)Cc2[nH+]ccn2C)n1 ZINC000328643071 444411021 /nfs/dbraw/zinc/41/10/21/444411021.db2.gz RHEKSVLUCCNXEA-YOEHRIQHSA-N 2 2 344.463 2.462 20 0 EDADLP CCCCc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000327112280 444380190 /nfs/dbraw/zinc/38/01/90/444380190.db2.gz GUGFXSXRNGGJGO-GJZGRUSLSA-N 2 2 349.479 1.492 20 0 EDADLP CCCCc1noc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000327112280 444380194 /nfs/dbraw/zinc/38/01/94/444380194.db2.gz GUGFXSXRNGGJGO-GJZGRUSLSA-N 2 2 349.479 1.492 20 0 EDADLP O=C([C@H]1CCCCC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000580079527 322007486 /nfs/dbraw/zinc/00/74/86/322007486.db2.gz SLZFCPXCGJDUSL-GOSISDBHSA-N 2 2 331.460 1.742 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000580173320 322018466 /nfs/dbraw/zinc/01/84/66/322018466.db2.gz ZINHSMZYEIKETF-GOSISDBHSA-N 2 2 339.443 1.609 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2sccc2Br)[C@H](C[NH3+])C1 ZINC000580292819 322032146 /nfs/dbraw/zinc/03/21/46/322032146.db2.gz PGDOYFUEHZXJFG-SECBINFHSA-N 2 2 347.282 1.295 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2sccc2Br)[C@H](C[NH3+])C1 ZINC000580292819 322032148 /nfs/dbraw/zinc/03/21/48/322032148.db2.gz PGDOYFUEHZXJFG-SECBINFHSA-N 2 2 347.282 1.295 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC3CC[NH2+]CC3)CC2)c1 ZINC000580704334 322084361 /nfs/dbraw/zinc/08/43/61/322084361.db2.gz MCGAUGDWWVAVSZ-HNNXBMFYSA-N 2 2 346.475 1.835 20 0 EDADLP COc1ccc(C[C@](C)(O)C[NH2+]Cc2c[nH+]c(C)n2C)cc1OC ZINC000580725563 322088264 /nfs/dbraw/zinc/08/82/64/322088264.db2.gz CAGCNVTYFWAVNG-SFHVURJKSA-N 2 2 333.432 1.829 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)c3ccn(CC[NH+](C)C)n3)ccc2n1C ZINC000580724207 322088334 /nfs/dbraw/zinc/08/83/34/322088334.db2.gz WIVDNZABZPKVRK-UHFFFAOYSA-N 2 2 326.404 1.892 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000581185133 322145920 /nfs/dbraw/zinc/14/59/20/322145920.db2.gz VWZVKFGLISVXAU-HYVNUMGLSA-N 2 2 332.448 1.649 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000581185132 322145973 /nfs/dbraw/zinc/14/59/73/322145973.db2.gz VWZVKFGLISVXAU-DJIMGWMZSA-N 2 2 332.448 1.649 20 0 EDADLP COc1cccc([C@@H](CNC(=O)Cn2cc[nH+]c2)[NH+]2CCCC2)c1 ZINC000581284473 322158386 /nfs/dbraw/zinc/15/83/86/322158386.db2.gz OQVXFLMLARNNHS-QGZVFWFLSA-N 2 2 328.416 1.845 20 0 EDADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000581488916 322183427 /nfs/dbraw/zinc/18/34/27/322183427.db2.gz DQXWSZMMVGMJIP-OALUTQOASA-N 2 2 344.455 1.605 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000332702115 444529486 /nfs/dbraw/zinc/52/94/86/444529486.db2.gz SZVODLFKUVOUPM-JKSUJKDBSA-N 2 2 343.475 1.976 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000332702115 444529491 /nfs/dbraw/zinc/52/94/91/444529491.db2.gz SZVODLFKUVOUPM-JKSUJKDBSA-N 2 2 343.475 1.976 20 0 EDADLP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000343748765 444563189 /nfs/dbraw/zinc/56/31/89/444563189.db2.gz WORIKQHNRFCFSW-BBRMVZONSA-N 2 2 341.477 1.129 20 0 EDADLP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000343748765 444563193 /nfs/dbraw/zinc/56/31/93/444563193.db2.gz WORIKQHNRFCFSW-BBRMVZONSA-N 2 2 341.477 1.129 20 0 EDADLP COC(=O)[C@@](C)(O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000343748765 444563198 /nfs/dbraw/zinc/56/31/98/444563198.db2.gz WORIKQHNRFCFSW-BBRMVZONSA-N 2 2 341.477 1.129 20 0 EDADLP COC(=O)[C@@](C)(O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000343748765 444563202 /nfs/dbraw/zinc/56/32/02/444563202.db2.gz WORIKQHNRFCFSW-BBRMVZONSA-N 2 2 341.477 1.129 20 0 EDADLP CC[N@H+](CCO)CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338221768 444571094 /nfs/dbraw/zinc/57/10/94/444571094.db2.gz PWLWLZWAXAHKFT-UHFFFAOYSA-N 2 2 329.400 1.918 20 0 EDADLP CC[N@@H+](CCO)CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338221768 444571098 /nfs/dbraw/zinc/57/10/98/444571098.db2.gz PWLWLZWAXAHKFT-UHFFFAOYSA-N 2 2 329.400 1.918 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC000343762860 444572279 /nfs/dbraw/zinc/57/22/79/444572279.db2.gz HNWGYLLCWWLVKP-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC000343762860 444572282 /nfs/dbraw/zinc/57/22/82/444572282.db2.gz HNWGYLLCWWLVKP-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000340855415 444545597 /nfs/dbraw/zinc/54/55/97/444545597.db2.gz BHIOMVGSOWRDMJ-KRWDZBQOSA-N 2 2 338.496 1.367 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)CC(C)C ZINC000338176470 444549583 /nfs/dbraw/zinc/54/95/83/444549583.db2.gz PLBRZQHGMPEACN-INIZCTEOSA-N 2 2 327.513 1.970 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000332782967 444551612 /nfs/dbraw/zinc/55/16/12/444551612.db2.gz JMQKVDMZNASQSY-WBVHZDCISA-N 3 2 333.480 1.367 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000329513294 444610297 /nfs/dbraw/zinc/61/02/97/444610297.db2.gz LJFQZRCRVULIIC-RYRKJORJSA-N 2 2 346.475 1.323 20 0 EDADLP C[N@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)C1CC[NH+](CCO)CC1 ZINC000338310449 444624403 /nfs/dbraw/zinc/62/44/03/444624403.db2.gz XPSIZRGPKVEDDX-QGZVFWFLSA-N 2 2 345.487 1.537 20 0 EDADLP C[N@@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)C1CC[NH+](CCO)CC1 ZINC000338310449 444624408 /nfs/dbraw/zinc/62/44/08/444624408.db2.gz XPSIZRGPKVEDDX-QGZVFWFLSA-N 2 2 345.487 1.537 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343925200 444673559 /nfs/dbraw/zinc/67/35/59/444673559.db2.gz NVIOLCFUGUJFFQ-ULQDDVLXSA-N 2 2 338.540 1.638 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343925200 444673561 /nfs/dbraw/zinc/67/35/61/444673561.db2.gz NVIOLCFUGUJFFQ-ULQDDVLXSA-N 2 2 338.540 1.638 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343886104 444646676 /nfs/dbraw/zinc/64/66/76/444646676.db2.gz IXJQPRVKVFIQQQ-FGTMMUONSA-N 2 2 338.540 1.495 20 0 EDADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343886104 444646679 /nfs/dbraw/zinc/64/66/79/444646679.db2.gz IXJQPRVKVFIQQQ-FGTMMUONSA-N 2 2 338.540 1.495 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000341115925 444681835 /nfs/dbraw/zinc/68/18/35/444681835.db2.gz DZCATEBEQAXWFV-NVXWUHKLSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000341115925 444681837 /nfs/dbraw/zinc/68/18/37/444681837.db2.gz DZCATEBEQAXWFV-NVXWUHKLSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341115925 444681840 /nfs/dbraw/zinc/68/18/40/444681840.db2.gz DZCATEBEQAXWFV-NVXWUHKLSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341115925 444681842 /nfs/dbraw/zinc/68/18/42/444681842.db2.gz DZCATEBEQAXWFV-NVXWUHKLSA-N 2 2 338.496 1.271 20 0 EDADLP COCCCn1nccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000338434399 444693297 /nfs/dbraw/zinc/69/32/97/444693297.db2.gz AZLNMIBIEYHRQI-ROUUACIJSA-N 2 2 336.480 1.387 20 0 EDADLP O=S(=O)(NC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1)C1CC1 ZINC000344084614 444773294 /nfs/dbraw/zinc/77/32/94/444773294.db2.gz GGJFXZLYZRUHLB-AWEZNQCLSA-N 2 2 326.466 1.067 20 0 EDADLP O=S(=O)(NC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1)C1CC1 ZINC000344084614 444773298 /nfs/dbraw/zinc/77/32/98/444773298.db2.gz GGJFXZLYZRUHLB-AWEZNQCLSA-N 2 2 326.466 1.067 20 0 EDADLP C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344132096 444798143 /nfs/dbraw/zinc/79/81/43/444798143.db2.gz OPCRKSKNZDGJOA-IEBWSBKVSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344132096 444798146 /nfs/dbraw/zinc/79/81/46/444798146.db2.gz OPCRKSKNZDGJOA-IEBWSBKVSA-N 2 2 345.487 1.424 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C12CCC2 ZINC000344138478 444802482 /nfs/dbraw/zinc/80/24/82/444802482.db2.gz NJPJCWFAIACFDA-ZWKOTPCHSA-N 2 2 339.524 1.314 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nnc(C(C)C)n1C ZINC000344139206 444803130 /nfs/dbraw/zinc/80/31/30/444803130.db2.gz ZAJOTGVMGULUAX-UHFFFAOYSA-N 2 2 336.528 1.788 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nnc(C(C)C)n1C ZINC000344139206 444803135 /nfs/dbraw/zinc/80/31/35/444803135.db2.gz ZAJOTGVMGULUAX-UHFFFAOYSA-N 2 2 336.528 1.788 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+][C@H]3C)c[nH+]2)C[C@H](C)O1 ZINC000342686348 444813487 /nfs/dbraw/zinc/81/34/87/444813487.db2.gz AHUGFNOPLFWKQE-QSJFSLAZSA-N 2 2 346.475 1.700 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)c1nc(COC)no1 ZINC000344118618 444791061 /nfs/dbraw/zinc/79/10/61/444791061.db2.gz BVRKRPIMTFEPAD-OAHLLOKOSA-N 2 2 339.484 1.627 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)c1nc(COC)no1 ZINC000344118618 444791067 /nfs/dbraw/zinc/79/10/67/444791067.db2.gz BVRKRPIMTFEPAD-OAHLLOKOSA-N 2 2 339.484 1.627 20 0 EDADLP C[C@@H]1C[C@@H](CO)CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000344118596 444791326 /nfs/dbraw/zinc/79/13/26/444791326.db2.gz CGXCMLLBKJYHSU-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H]1C[C@@H](CO)CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000344118596 444791330 /nfs/dbraw/zinc/79/13/30/444791330.db2.gz CGXCMLLBKJYHSU-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H]1C[C@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC[N@@H+]1C ZINC000344182256 444825859 /nfs/dbraw/zinc/82/58/59/444825859.db2.gz ZWOVDGDSLHBUCA-LSDHHAIUSA-N 2 2 332.448 1.265 20 0 EDADLP C[C@H]1C[C@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC[N@H+]1C ZINC000344182256 444825864 /nfs/dbraw/zinc/82/58/64/444825864.db2.gz ZWOVDGDSLHBUCA-LSDHHAIUSA-N 2 2 332.448 1.265 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]4C(=O)N(C)C[C@H]43)sc2C1 ZINC000344258679 444867550 /nfs/dbraw/zinc/86/75/50/444867550.db2.gz ZVQKFDBXSJTLRZ-UKRRQHHQSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]4C(=O)N(C)C[C@H]43)sc2C1 ZINC000344258679 444867555 /nfs/dbraw/zinc/86/75/55/444867555.db2.gz ZVQKFDBXSJTLRZ-UKRRQHHQSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]4C(=O)N(C)C[C@H]43)sc2C1 ZINC000344258679 444867557 /nfs/dbraw/zinc/86/75/57/444867557.db2.gz ZVQKFDBXSJTLRZ-UKRRQHHQSA-N 2 2 348.516 1.962 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H]4C(=O)N(C)C[C@H]43)sc2C1 ZINC000344258679 444867562 /nfs/dbraw/zinc/86/75/62/444867562.db2.gz ZVQKFDBXSJTLRZ-UKRRQHHQSA-N 2 2 348.516 1.962 20 0 EDADLP COCCc1ccc(OC[C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000338905338 444924580 /nfs/dbraw/zinc/92/45/80/444924580.db2.gz QVKIMAIVJQKUDI-SFHVURJKSA-N 2 2 336.476 1.641 20 0 EDADLP COc1cccc(NC(=O)CC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625546034 450419716 /nfs/dbraw/zinc/41/97/16/450419716.db2.gz LVBNNYZDILCKHM-UHFFFAOYSA-N 2 2 347.459 1.820 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCOC[C@H]1C ZINC000337215275 444989194 /nfs/dbraw/zinc/98/91/94/444989194.db2.gz YGWCDEGGZLEYFM-LMMKCTJWSA-N 2 2 332.492 1.602 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCOC[C@H]1C ZINC000337215275 444989201 /nfs/dbraw/zinc/98/92/01/444989201.db2.gz YGWCDEGGZLEYFM-LMMKCTJWSA-N 2 2 332.492 1.602 20 0 EDADLP COc1cccc([C@H](CNC(=O)N(C)Cc2[nH+]ccn2C)[NH+](C)C)c1 ZINC000341808088 445010829 /nfs/dbraw/zinc/01/08/29/445010829.db2.gz OCHMRRCLXWVJFW-INIZCTEOSA-N 2 2 345.447 1.873 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337380504 445056204 /nfs/dbraw/zinc/05/62/04/445056204.db2.gz IUCFKDIGOXKUIC-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337380504 445056210 /nfs/dbraw/zinc/05/62/10/445056210.db2.gz IUCFKDIGOXKUIC-IAGOWNOFSA-N 2 2 337.508 1.868 20 0 EDADLP CN(C(=O)c1c[nH]cn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339163781 445068088 /nfs/dbraw/zinc/06/80/88/445068088.db2.gz FSYSUCOMYBCYHD-SJORKVTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1c[nH]cn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339163781 445068094 /nfs/dbraw/zinc/06/80/94/445068094.db2.gz FSYSUCOMYBCYHD-SJORKVTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1cnc[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339163781 445068097 /nfs/dbraw/zinc/06/80/97/445068097.db2.gz FSYSUCOMYBCYHD-SJORKVTESA-N 2 2 333.480 1.819 20 0 EDADLP CN(C(=O)c1cnc[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339163781 445068102 /nfs/dbraw/zinc/06/81/02/445068102.db2.gz FSYSUCOMYBCYHD-SJORKVTESA-N 2 2 333.480 1.819 20 0 EDADLP CC[C@@H](CSC)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341915330 445069662 /nfs/dbraw/zinc/06/96/62/445069662.db2.gz IDXWWMYZWUNHPO-CABCVRRESA-N 2 2 342.553 1.938 20 0 EDADLP CC[C@@H](CSC)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341915330 445069669 /nfs/dbraw/zinc/06/96/69/445069669.db2.gz IDXWWMYZWUNHPO-CABCVRRESA-N 2 2 342.553 1.938 20 0 EDADLP OC[C@H]1CSCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341914772 445070434 /nfs/dbraw/zinc/07/04/34/445070434.db2.gz ZEWZFUGCJFKXSI-ROUUACIJSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@H]1CSCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341914772 445070437 /nfs/dbraw/zinc/07/04/37/445070437.db2.gz ZEWZFUGCJFKXSI-ROUUACIJSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@H]1CSCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341914772 445070440 /nfs/dbraw/zinc/07/04/40/445070440.db2.gz ZEWZFUGCJFKXSI-ROUUACIJSA-N 2 2 336.501 1.687 20 0 EDADLP OC[C@H]1CSCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341914772 445070442 /nfs/dbraw/zinc/07/04/42/445070442.db2.gz ZEWZFUGCJFKXSI-ROUUACIJSA-N 2 2 336.501 1.687 20 0 EDADLP CCc1nc(N2CC[NH+]([C@@H](C)C(=O)NCCCOC)CC2)cc(C)[nH+]1 ZINC000341940898 445083978 /nfs/dbraw/zinc/08/39/78/445083978.db2.gz HRNROKLWCAIAIO-HNNXBMFYSA-N 2 2 349.479 1.011 20 0 EDADLP O=C(c1ccc(C[NH+]2CCOCC2)cn1)N1CC[NH+](CC2CC2)CC1 ZINC000343071525 445041549 /nfs/dbraw/zinc/04/15/49/445041549.db2.gz BLSWWEVVOOXEBK-UHFFFAOYSA-N 2 2 344.459 1.082 20 0 EDADLP CNC(=O)[C@@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)C ZINC000341868851 445044139 /nfs/dbraw/zinc/04/41/39/445044139.db2.gz NZGWBLAYEOFRTG-PBHICJAKSA-N 2 2 332.448 1.374 20 0 EDADLP C[C@@H]1CN(CC[N@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357921 445046265 /nfs/dbraw/zinc/04/62/65/445046265.db2.gz CYMLIDUADAGXMT-BHIYHBOVSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357921 445046267 /nfs/dbraw/zinc/04/62/67/445046267.db2.gz CYMLIDUADAGXMT-BHIYHBOVSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357921 445046271 /nfs/dbraw/zinc/04/62/71/445046271.db2.gz CYMLIDUADAGXMT-BHIYHBOVSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1CN(CC[NH+](C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357921 445046273 /nfs/dbraw/zinc/04/62/73/445046273.db2.gz CYMLIDUADAGXMT-BHIYHBOVSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357921 445046276 /nfs/dbraw/zinc/04/62/76/445046276.db2.gz CYMLIDUADAGXMT-BHIYHBOVSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C[C@H]2CC[NH+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357921 445046281 /nfs/dbraw/zinc/04/62/81/445046281.db2.gz CYMLIDUADAGXMT-BHIYHBOVSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357921 445046285 /nfs/dbraw/zinc/04/62/85/445046285.db2.gz CYMLIDUADAGXMT-BHIYHBOVSA-N 2 2 332.492 1.727 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357921 445046290 /nfs/dbraw/zinc/04/62/90/445046290.db2.gz CYMLIDUADAGXMT-BHIYHBOVSA-N 2 2 332.492 1.727 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000343158164 445105070 /nfs/dbraw/zinc/10/50/70/445105070.db2.gz ITBYAXRIUJFNCN-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000343158164 445105073 /nfs/dbraw/zinc/10/50/73/445105073.db2.gz ITBYAXRIUJFNCN-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000343158164 445105076 /nfs/dbraw/zinc/10/50/76/445105076.db2.gz ITBYAXRIUJFNCN-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000343158164 445105078 /nfs/dbraw/zinc/10/50/78/445105078.db2.gz ITBYAXRIUJFNCN-SJORKVTESA-N 2 2 340.512 1.661 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000342105192 445174258 /nfs/dbraw/zinc/17/42/58/445174258.db2.gz OALHYOYWNOPKBI-AEGPPILISA-N 2 2 333.432 1.702 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000342105192 445174260 /nfs/dbraw/zinc/17/42/60/445174260.db2.gz OALHYOYWNOPKBI-AEGPPILISA-N 2 2 333.432 1.702 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)N2CCC(OCc3ccccc3)CC2)CCC1 ZINC000342112314 445177670 /nfs/dbraw/zinc/17/76/70/445177670.db2.gz VORPMMHJRCOKQK-UHFFFAOYSA-N 2 2 331.460 1.665 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000343290476 445182873 /nfs/dbraw/zinc/18/28/73/445182873.db2.gz WPOIMQSZMHMUCT-FGTMMUONSA-N 2 2 329.444 1.192 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000343290476 445182877 /nfs/dbraw/zinc/18/28/77/445182877.db2.gz WPOIMQSZMHMUCT-FGTMMUONSA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC000343290476 445182881 /nfs/dbraw/zinc/18/28/81/445182881.db2.gz WPOIMQSZMHMUCT-FGTMMUONSA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@H]3CC[N@H+]3Cc3ccccc3)C[C@@H]21 ZINC000343290476 445182883 /nfs/dbraw/zinc/18/28/83/445182883.db2.gz WPOIMQSZMHMUCT-FGTMMUONSA-N 2 2 329.444 1.192 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339537569 445148014 /nfs/dbraw/zinc/14/80/14/445148014.db2.gz ZMDZGQZKGZDCFU-DOTOQJQBSA-N 2 2 338.496 1.080 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1C[N@@H+](C3CC3)CCO1)C2 ZINC000343353088 445207822 /nfs/dbraw/zinc/20/78/22/445207822.db2.gz SJDKVJIHHMBLIS-HIFRSBDPSA-N 2 2 346.475 1.617 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1C[N@H+](C3CC3)CCO1)C2 ZINC000343353088 445207824 /nfs/dbraw/zinc/20/78/24/445207824.db2.gz SJDKVJIHHMBLIS-HIFRSBDPSA-N 2 2 346.475 1.617 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1C[N@@H+](C3CC3)CCO1)CC2 ZINC000343353088 445207826 /nfs/dbraw/zinc/20/78/26/445207826.db2.gz SJDKVJIHHMBLIS-HIFRSBDPSA-N 2 2 346.475 1.617 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1C[N@H+](C3CC3)CCO1)CC2 ZINC000343353088 445207828 /nfs/dbraw/zinc/20/78/28/445207828.db2.gz SJDKVJIHHMBLIS-HIFRSBDPSA-N 2 2 346.475 1.617 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2c[nH+]cn2C)CCO1 ZINC000343385086 445213724 /nfs/dbraw/zinc/21/37/24/445213724.db2.gz BSIMMECDEXRJIT-GGKPKWOWSA-N 2 2 332.448 1.772 20 0 EDADLP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1 ZINC000343392470 445214905 /nfs/dbraw/zinc/21/49/05/445214905.db2.gz OWMHZSLNUNWLPO-CRAIPNDOSA-N 2 2 341.415 1.488 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000343403821 445216426 /nfs/dbraw/zinc/21/64/26/445216426.db2.gz ITHQNYVXPNCOQI-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000343403821 445216427 /nfs/dbraw/zinc/21/64/27/445216427.db2.gz ITHQNYVXPNCOQI-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000343403821 445216428 /nfs/dbraw/zinc/21/64/28/445216428.db2.gz ITHQNYVXPNCOQI-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000343403821 445216429 /nfs/dbraw/zinc/21/64/29/445216429.db2.gz ITHQNYVXPNCOQI-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP CCn1ccnc(N2CCC([NH2+][C@@H]3C[N@H+](CC)C[C@@H]3C)CC2)c1=O ZINC000343418053 445218901 /nfs/dbraw/zinc/21/89/01/445218901.db2.gz WHDCYPPPGJBJBY-GOEBONIOSA-N 2 2 333.480 1.162 20 0 EDADLP CCn1ccnc(N2CCC([NH2+][C@@H]3C[N@@H+](CC)C[C@@H]3C)CC2)c1=O ZINC000343418053 445218902 /nfs/dbraw/zinc/21/89/02/445218902.db2.gz WHDCYPPPGJBJBY-GOEBONIOSA-N 2 2 333.480 1.162 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000346857591 445226550 /nfs/dbraw/zinc/22/65/50/445226550.db2.gz XBENRGNHKRHPSI-UHFFFAOYSA-N 2 2 349.442 1.875 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)Cc1cncc(F)c1 ZINC000347168493 445233183 /nfs/dbraw/zinc/23/31/83/445233183.db2.gz NHBZVLHYQDMAEW-JKSUJKDBSA-N 2 2 335.402 1.999 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)Cc1cncc(F)c1 ZINC000347168493 445233184 /nfs/dbraw/zinc/23/31/84/445233184.db2.gz NHBZVLHYQDMAEW-JKSUJKDBSA-N 2 2 335.402 1.999 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343492258 445233371 /nfs/dbraw/zinc/23/33/71/445233371.db2.gz GVCXZVKGGCODBG-MAUKXSAKSA-N 2 2 346.475 1.326 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343492258 445233372 /nfs/dbraw/zinc/23/33/72/445233372.db2.gz GVCXZVKGGCODBG-MAUKXSAKSA-N 2 2 346.475 1.326 20 0 EDADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343482162 445231172 /nfs/dbraw/zinc/23/11/72/445231172.db2.gz TVZZDRATGJECNC-NVXWUHKLSA-N 2 2 344.459 1.223 20 0 EDADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000343482162 445231173 /nfs/dbraw/zinc/23/11/73/445231173.db2.gz TVZZDRATGJECNC-NVXWUHKLSA-N 2 2 344.459 1.223 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2[nH+]ccn2CC(C)C)[N@H+](C)C1 ZINC000347518294 445240342 /nfs/dbraw/zinc/24/03/42/445240342.db2.gz PUCOQYWHIHRFKK-LSDHHAIUSA-N 2 2 337.468 1.400 20 0 EDADLP CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2[nH+]ccn2CC(C)C)[N@@H+](C)C1 ZINC000347518294 445240344 /nfs/dbraw/zinc/24/03/44/445240344.db2.gz PUCOQYWHIHRFKK-LSDHHAIUSA-N 2 2 337.468 1.400 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000343564086 445244838 /nfs/dbraw/zinc/24/48/38/445244838.db2.gz GXHGQLBYBYHIHS-AEFFLSMTSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000343564086 445244839 /nfs/dbraw/zinc/24/48/39/445244839.db2.gz GXHGQLBYBYHIHS-AEFFLSMTSA-N 3 2 331.508 1.653 20 0 EDADLP CN(CC[NH+]1CCCCC1)C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000348093175 445265761 /nfs/dbraw/zinc/26/57/61/445265761.db2.gz ZHAUJWZRVWWGTC-MSOLQXFVSA-N 2 2 337.487 1.750 20 0 EDADLP CN(CC[NH+]1CCCCC1)C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000348093175 445265764 /nfs/dbraw/zinc/26/57/64/445265764.db2.gz ZHAUJWZRVWWGTC-MSOLQXFVSA-N 2 2 337.487 1.750 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@H+](C)Cc2ncc[nH]2)cc[nH+]1 ZINC000348180012 445306704 /nfs/dbraw/zinc/30/67/04/445306704.db2.gz NTGQHFIFZFUXGV-QWHCGFSZSA-N 2 2 333.415 1.315 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[N@@H+](C)Cc2ncc[nH]2)cc[nH+]1 ZINC000348180012 445306705 /nfs/dbraw/zinc/30/67/05/445306705.db2.gz NTGQHFIFZFUXGV-QWHCGFSZSA-N 2 2 333.415 1.315 20 0 EDADLP COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348388122 445273013 /nfs/dbraw/zinc/27/30/13/445273013.db2.gz NDGUXGYBSKXDLK-KBPBESRZSA-N 2 2 343.493 1.051 20 0 EDADLP COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348388122 445273015 /nfs/dbraw/zinc/27/30/15/445273015.db2.gz NDGUXGYBSKXDLK-KBPBESRZSA-N 2 2 343.493 1.051 20 0 EDADLP CCOC(=O)CC[N@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348115589 445275119 /nfs/dbraw/zinc/27/51/19/445275119.db2.gz JHDVXZPWCAUHIQ-UONOGXRCSA-N 2 2 326.416 1.218 20 0 EDADLP CCOC(=O)CC[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348115589 445275124 /nfs/dbraw/zinc/27/51/24/445275124.db2.gz JHDVXZPWCAUHIQ-UONOGXRCSA-N 2 2 326.416 1.218 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000343659177 445287202 /nfs/dbraw/zinc/28/72/02/445287202.db2.gz AIPBBXZQPAJHSV-CRAIPNDOSA-N 2 2 331.460 1.589 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000343659177 445287204 /nfs/dbraw/zinc/28/72/04/445287204.db2.gz AIPBBXZQPAJHSV-CRAIPNDOSA-N 2 2 331.460 1.589 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2ncccn2)cc[nH+]1 ZINC000348163980 445297540 /nfs/dbraw/zinc/29/75/40/445297540.db2.gz GJCLMBHXJLGKDA-ZIAGYGMSSA-N 2 2 345.426 1.381 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)Cc2ncccn2)cc[nH+]1 ZINC000348163980 445297541 /nfs/dbraw/zinc/29/75/41/445297541.db2.gz GJCLMBHXJLGKDA-ZIAGYGMSSA-N 2 2 345.426 1.381 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cnn(C)c2)cc[nH+]1 ZINC000348172651 445302878 /nfs/dbraw/zinc/30/28/78/445302878.db2.gz SHRGXAFRIQVVTQ-GJZGRUSLSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cnn(C)c2)cc[nH+]1 ZINC000348172651 445302883 /nfs/dbraw/zinc/30/28/83/445302883.db2.gz SHRGXAFRIQVVTQ-GJZGRUSLSA-N 2 2 347.442 1.325 20 0 EDADLP Cc1cccc(C[NH+](C)CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000348578593 445331518 /nfs/dbraw/zinc/33/15/18/445331518.db2.gz OIXURAAYASBKFG-SFHVURJKSA-N 2 2 348.491 1.295 20 0 EDADLP Cc1cccc(C[NH+](C)CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000348578593 445331520 /nfs/dbraw/zinc/33/15/20/445331520.db2.gz OIXURAAYASBKFG-SFHVURJKSA-N 2 2 348.491 1.295 20 0 EDADLP Cc1cccc(C[N@@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)n1 ZINC000348578593 445331521 /nfs/dbraw/zinc/33/15/21/445331521.db2.gz OIXURAAYASBKFG-SFHVURJKSA-N 2 2 348.491 1.295 20 0 EDADLP Cc1cccc(C[N@H+](C)CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)n1 ZINC000348578593 445331523 /nfs/dbraw/zinc/33/15/23/445331523.db2.gz OIXURAAYASBKFG-SFHVURJKSA-N 2 2 348.491 1.295 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCCOc2ccccc2)C1 ZINC000348263868 445332025 /nfs/dbraw/zinc/33/20/25/445332025.db2.gz BETKTPYURMAFON-SFHVURJKSA-N 2 2 345.487 1.845 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCCOc2ccccc2)C1 ZINC000348263868 445332026 /nfs/dbraw/zinc/33/20/26/445332026.db2.gz BETKTPYURMAFON-SFHVURJKSA-N 2 2 345.487 1.845 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000348263868 445332027 /nfs/dbraw/zinc/33/20/27/445332027.db2.gz BETKTPYURMAFON-SFHVURJKSA-N 2 2 345.487 1.845 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000348263868 445332028 /nfs/dbraw/zinc/33/20/28/445332028.db2.gz BETKTPYURMAFON-SFHVURJKSA-N 2 2 345.487 1.845 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000348279595 445337693 /nfs/dbraw/zinc/33/76/93/445337693.db2.gz QQUKKWQYYARLMF-MOPGFXCFSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C(C)(C)C[NH+](C)C ZINC000354682796 445339109 /nfs/dbraw/zinc/33/91/09/445339109.db2.gz WRMYUVOLZIJZNS-HNNXBMFYSA-N 2 2 348.491 1.620 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000351848426 445341862 /nfs/dbraw/zinc/34/18/62/445341862.db2.gz CSDGTCAAWHHPPK-KKUMJFAQSA-N 2 2 344.459 1.810 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000351848426 445341866 /nfs/dbraw/zinc/34/18/66/445341866.db2.gz CSDGTCAAWHHPPK-KKUMJFAQSA-N 2 2 344.459 1.810 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000351866698 445348218 /nfs/dbraw/zinc/34/82/18/445348218.db2.gz VFSPFTMNDHBFDK-STQMWFEESA-N 2 2 333.461 1.601 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000351866698 445348219 /nfs/dbraw/zinc/34/82/19/445348219.db2.gz VFSPFTMNDHBFDK-STQMWFEESA-N 2 2 333.461 1.601 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078697 445412317 /nfs/dbraw/zinc/41/23/17/445412317.db2.gz RTWDLVANKJGRHY-IEBWSBKVSA-N 2 2 345.487 1.771 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078697 445412322 /nfs/dbraw/zinc/41/23/22/445412322.db2.gz RTWDLVANKJGRHY-IEBWSBKVSA-N 2 2 345.487 1.771 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000359760153 445413319 /nfs/dbraw/zinc/41/33/19/445413319.db2.gz GFQNWLATYCXWGO-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000359760153 445413323 /nfs/dbraw/zinc/41/33/23/445413323.db2.gz GFQNWLATYCXWGO-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000359760153 445413325 /nfs/dbraw/zinc/41/33/25/445413325.db2.gz GFQNWLATYCXWGO-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000359760153 445413328 /nfs/dbraw/zinc/41/33/28/445413328.db2.gz GFQNWLATYCXWGO-WBVHZDCISA-N 2 2 325.497 1.866 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357082317 445414830 /nfs/dbraw/zinc/41/48/30/445414830.db2.gz HQICGDLQKIKLAV-HRCADAONSA-N 2 2 331.460 1.756 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357082317 445414836 /nfs/dbraw/zinc/41/48/36/445414836.db2.gz HQICGDLQKIKLAV-HRCADAONSA-N 2 2 331.460 1.756 20 0 EDADLP CCOc1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000362506901 445416821 /nfs/dbraw/zinc/41/68/21/445416821.db2.gz BVRPXTFDAHQREW-UHFFFAOYSA-N 2 2 349.475 1.802 20 0 EDADLP CCOc1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](CCO)CC2)cc1 ZINC000362506901 445416823 /nfs/dbraw/zinc/41/68/23/445416823.db2.gz BVRPXTFDAHQREW-UHFFFAOYSA-N 2 2 349.475 1.802 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)c[nH]1 ZINC000354840582 445419286 /nfs/dbraw/zinc/41/92/86/445419286.db2.gz DVUBDBPGFOVLOX-KGLIPLIRSA-N 2 2 349.410 1.237 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357093488 445425046 /nfs/dbraw/zinc/42/50/46/445425046.db2.gz WHTHEBZTQLGBPU-BFHYXJOUSA-N 2 2 333.432 1.572 20 0 EDADLP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357093488 445425049 /nfs/dbraw/zinc/42/50/49/445425049.db2.gz WHTHEBZTQLGBPU-BFHYXJOUSA-N 2 2 333.432 1.572 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357099659 445427425 /nfs/dbraw/zinc/42/74/25/445427425.db2.gz COGMLJFFLXJIMP-SJORKVTESA-N 2 2 331.460 1.633 20 0 EDADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357099659 445427431 /nfs/dbraw/zinc/42/74/31/445427431.db2.gz COGMLJFFLXJIMP-SJORKVTESA-N 2 2 331.460 1.633 20 0 EDADLP COC(=O)c1occc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000348799672 445388069 /nfs/dbraw/zinc/38/80/69/445388069.db2.gz NSNVGFVMKANAFM-GOOCMWNKSA-N 2 2 349.431 1.239 20 0 EDADLP COC(=O)c1occc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000348799672 445388073 /nfs/dbraw/zinc/38/80/73/445388073.db2.gz NSNVGFVMKANAFM-GOOCMWNKSA-N 2 2 349.431 1.239 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000348810380 445394485 /nfs/dbraw/zinc/39/44/85/445394485.db2.gz LSICYAXCZBEGCQ-QGZVFWFLSA-N 2 2 346.450 1.890 20 0 EDADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000348810380 445394489 /nfs/dbraw/zinc/39/44/89/445394489.db2.gz LSICYAXCZBEGCQ-QGZVFWFLSA-N 2 2 346.450 1.890 20 0 EDADLP O=C(CCOC1C[NH2+]C1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000349009566 445474942 /nfs/dbraw/zinc/47/49/42/445474942.db2.gz XKJWCOHGCVSWLH-UHFFFAOYSA-N 2 2 337.851 1.363 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CCOC3C[NH2+]C3)n2)C1 ZINC000349009513 445475035 /nfs/dbraw/zinc/47/50/35/445475035.db2.gz WZZGBVPGTJNLSP-LBPRGKRZSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CCOC3C[NH2+]C3)n2)C1 ZINC000349009513 445475037 /nfs/dbraw/zinc/47/50/37/445475037.db2.gz WZZGBVPGTJNLSP-LBPRGKRZSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000354905120 445432742 /nfs/dbraw/zinc/43/27/42/445432742.db2.gz KEVDOGNINMBANP-RLCCDNCMSA-N 2 2 340.418 1.959 20 0 EDADLP Cc1n[nH]cc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354928041 445433104 /nfs/dbraw/zinc/43/31/04/445433104.db2.gz JMFRGSYLVGBLJB-GJZGRUSLSA-N 2 2 347.442 1.623 20 0 EDADLP Cc1n[nH]cc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000354928041 445433110 /nfs/dbraw/zinc/43/31/10/445433110.db2.gz JMFRGSYLVGBLJB-GJZGRUSLSA-N 2 2 347.442 1.623 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)cn2c1 ZINC000357115808 445436970 /nfs/dbraw/zinc/43/69/70/445436970.db2.gz ADRVFRYAYGPITQ-ZSZQSSIHSA-N 2 2 342.443 1.791 20 0 EDADLP Cc1c[nH+]c(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C ZINC000348907709 445437801 /nfs/dbraw/zinc/43/78/01/445437801.db2.gz YIMBBXIOMHXLEK-UHFFFAOYSA-N 2 2 347.507 1.543 20 0 EDADLP COC(=O)[C@@H](c1cccnc1)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355028110 445440284 /nfs/dbraw/zinc/44/02/84/445440284.db2.gz FWPLHZSKZQWUOW-MAUKXSAKSA-N 2 2 346.475 1.396 20 0 EDADLP COC(=O)[C@@H](c1cccnc1)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355028110 445440285 /nfs/dbraw/zinc/44/02/85/445440285.db2.gz FWPLHZSKZQWUOW-MAUKXSAKSA-N 2 2 346.475 1.396 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000355112913 445444892 /nfs/dbraw/zinc/44/48/92/445444892.db2.gz ISYMIRJBOQLANM-GJZGRUSLSA-N 2 2 332.510 1.290 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCS(=O)(=O)CC1 ZINC000355112913 445444896 /nfs/dbraw/zinc/44/48/96/445444896.db2.gz ISYMIRJBOQLANM-GJZGRUSLSA-N 2 2 332.510 1.290 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000357143532 445452507 /nfs/dbraw/zinc/45/25/07/445452507.db2.gz JITMHXQZHUKXTN-INIZCTEOSA-N 2 2 344.459 1.650 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357252382 445508607 /nfs/dbraw/zinc/50/86/07/445508607.db2.gz DTIJYYZZXCSQDB-LSDHHAIUSA-N 2 2 349.479 1.096 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357252382 445508610 /nfs/dbraw/zinc/50/86/10/445508610.db2.gz DTIJYYZZXCSQDB-LSDHHAIUSA-N 2 2 349.479 1.096 20 0 EDADLP COCCOc1cccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362677448 445494282 /nfs/dbraw/zinc/49/42/82/445494282.db2.gz YJSRGMMHCZOTAD-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP COCCOc1cccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362677448 445494284 /nfs/dbraw/zinc/49/42/84/445494284.db2.gz YJSRGMMHCZOTAD-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP C[N@H+](C[C@@H](O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000352106436 445496027 /nfs/dbraw/zinc/49/60/27/445496027.db2.gz WDNPWWQRZYXRCL-MAUKXSAKSA-N 2 2 332.492 1.854 20 0 EDADLP C[N@@H+](C[C@@H](O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000352106436 445496032 /nfs/dbraw/zinc/49/60/32/445496032.db2.gz WDNPWWQRZYXRCL-MAUKXSAKSA-N 2 2 332.492 1.854 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000352106436 445496034 /nfs/dbraw/zinc/49/60/34/445496034.db2.gz WDNPWWQRZYXRCL-MAUKXSAKSA-N 3 2 332.492 1.854 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000352106436 445496040 /nfs/dbraw/zinc/49/60/40/445496040.db2.gz WDNPWWQRZYXRCL-MAUKXSAKSA-N 3 2 332.492 1.854 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000352106436 445496043 /nfs/dbraw/zinc/49/60/43/445496043.db2.gz WDNPWWQRZYXRCL-MAUKXSAKSA-N 3 2 332.492 1.854 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000352106436 445496049 /nfs/dbraw/zinc/49/60/49/445496049.db2.gz WDNPWWQRZYXRCL-MAUKXSAKSA-N 3 2 332.492 1.854 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000359953126 445502475 /nfs/dbraw/zinc/50/24/75/445502475.db2.gz UITBVVBMUXWOPT-CQSZACIVSA-N 2 2 335.448 1.723 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355942303 445538431 /nfs/dbraw/zinc/53/84/31/445538431.db2.gz QPDPQKKLKBDHDO-HZPDHXFCSA-N 2 2 332.448 1.330 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000355942303 445538434 /nfs/dbraw/zinc/53/84/34/445538434.db2.gz QPDPQKKLKBDHDO-HZPDHXFCSA-N 2 2 332.448 1.330 20 0 EDADLP COCc1cccc(C[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000362782266 445547047 /nfs/dbraw/zinc/54/70/47/445547047.db2.gz SEHIKJHEKCBRNB-IBGZPJMESA-N 2 2 333.476 1.281 20 0 EDADLP COCc1cccc(C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000362782266 445547051 /nfs/dbraw/zinc/54/70/51/445547051.db2.gz SEHIKJHEKCBRNB-IBGZPJMESA-N 2 2 333.476 1.281 20 0 EDADLP COCc1cccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000362782710 445547774 /nfs/dbraw/zinc/54/77/74/445547774.db2.gz WESPDNYFISKVFM-YLJYHZDGSA-N 2 2 347.503 1.670 20 0 EDADLP COCc1cccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@H]2C)c1 ZINC000362782710 445547776 /nfs/dbraw/zinc/54/77/76/445547776.db2.gz WESPDNYFISKVFM-YLJYHZDGSA-N 2 2 347.503 1.670 20 0 EDADLP COCc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c1 ZINC000362782710 445547777 /nfs/dbraw/zinc/54/77/77/445547777.db2.gz WESPDNYFISKVFM-YLJYHZDGSA-N 2 2 347.503 1.670 20 0 EDADLP COCc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@H]2C)c1 ZINC000362782710 445547778 /nfs/dbraw/zinc/54/77/78/445547778.db2.gz WESPDNYFISKVFM-YLJYHZDGSA-N 2 2 347.503 1.670 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000356079286 445607165 /nfs/dbraw/zinc/60/71/65/445607165.db2.gz CEJOWDCXYOMHDA-ZIAGYGMSSA-N 2 2 340.493 1.371 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000356079286 445607170 /nfs/dbraw/zinc/60/71/70/445607170.db2.gz CEJOWDCXYOMHDA-ZIAGYGMSSA-N 2 2 340.493 1.371 20 0 EDADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358152853 445608155 /nfs/dbraw/zinc/60/81/55/445608155.db2.gz LBQMQDZKXONLJH-SQNIBIBYSA-N 2 2 337.508 1.724 20 0 EDADLP CC[NH+]1CCN(CC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000360168336 445608739 /nfs/dbraw/zinc/60/87/39/445608739.db2.gz DCZXJWVIAGHKEC-KRWDZBQOSA-N 2 2 348.491 1.052 20 0 EDADLP CC[NH+]1CCN(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000360176674 445613172 /nfs/dbraw/zinc/61/31/72/445613172.db2.gz WZRPCYLHVXUXAT-QGZVFWFLSA-N 2 2 348.491 1.560 20 0 EDADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358264786 445614384 /nfs/dbraw/zinc/61/43/84/445614384.db2.gz ZDCTXNTXEKAMSV-MOPGFXCFSA-N 2 2 333.476 1.025 20 0 EDADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358264786 445614389 /nfs/dbraw/zinc/61/43/89/445614389.db2.gz ZDCTXNTXEKAMSV-MOPGFXCFSA-N 2 2 333.476 1.025 20 0 EDADLP C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000356102539 445622703 /nfs/dbraw/zinc/62/27/03/445622703.db2.gz WSGSIVGPTQEUKA-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000356140556 445642700 /nfs/dbraw/zinc/64/27/00/445642700.db2.gz AANSLYBORCNEHF-UHFFFAOYSA-N 2 2 336.436 1.606 20 0 EDADLP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000349782108 445676875 /nfs/dbraw/zinc/67/68/75/445676875.db2.gz XZJMORWBRZCYHP-INIZCTEOSA-N 2 2 328.501 1.471 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000356228648 445687202 /nfs/dbraw/zinc/68/72/02/445687202.db2.gz YSSGLYAVFYFRNV-BRWVUGGUSA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000356228648 445687207 /nfs/dbraw/zinc/68/72/07/445687207.db2.gz YSSGLYAVFYFRNV-BRWVUGGUSA-N 2 2 340.512 1.374 20 0 EDADLP COC1CCC([N@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000360305826 445687794 /nfs/dbraw/zinc/68/77/94/445687794.db2.gz XQXBZLDZLIHMQP-UHFFFAOYSA-N 2 2 349.475 1.813 20 0 EDADLP COC1CCC([N@@H+](C)CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000360305826 445687795 /nfs/dbraw/zinc/68/77/95/445687795.db2.gz XQXBZLDZLIHMQP-UHFFFAOYSA-N 2 2 349.475 1.813 20 0 EDADLP COC(=O)[C@@H]1CCC[N@H+](CCCc2ccc(C)[nH+]c2)[C@H]1C(=O)OC ZINC000353645857 445691292 /nfs/dbraw/zinc/69/12/92/445691292.db2.gz CTCUSHLKOMYCSS-HZPDHXFCSA-N 2 2 334.416 1.749 20 0 EDADLP COC(=O)[C@@H]1CCC[N@@H+](CCCc2ccc(C)[nH+]c2)[C@H]1C(=O)OC ZINC000353645857 445691297 /nfs/dbraw/zinc/69/12/97/445691297.db2.gz CTCUSHLKOMYCSS-HZPDHXFCSA-N 2 2 334.416 1.749 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356249532 445699125 /nfs/dbraw/zinc/69/91/25/445699125.db2.gz GNNRLNBEMJFUGG-LJQANCHMSA-N 2 2 342.443 1.106 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000356249532 445699129 /nfs/dbraw/zinc/69/91/29/445699129.db2.gz GNNRLNBEMJFUGG-LJQANCHMSA-N 2 2 342.443 1.106 20 0 EDADLP COCCC[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000363206850 445720938 /nfs/dbraw/zinc/72/09/38/445720938.db2.gz RRJSLPQFPFIGTH-UHFFFAOYSA-N 2 2 343.431 1.452 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[NH+](C)C)c1 ZINC000363195701 445717095 /nfs/dbraw/zinc/71/70/95/445717095.db2.gz HWHTXAXRVRGRDS-NVXWUHKLSA-N 2 2 342.443 1.873 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C2 ZINC000363249050 445739593 /nfs/dbraw/zinc/73/95/93/445739593.db2.gz RHBQDBJBTHWJPY-KBPBESRZSA-N 2 2 349.479 1.524 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356342602 445743304 /nfs/dbraw/zinc/74/33/04/445743304.db2.gz AOLHBAJTEFHIMO-KRWDZBQOSA-N 2 2 342.528 1.717 20 0 EDADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356342602 445743307 /nfs/dbraw/zinc/74/33/07/445743307.db2.gz AOLHBAJTEFHIMO-KRWDZBQOSA-N 2 2 342.528 1.717 20 0 EDADLP Cc1c[nH+]ccc1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000353782130 445753415 /nfs/dbraw/zinc/75/34/15/445753415.db2.gz SVBDNLPRIVUXDG-UHFFFAOYSA-N 2 2 328.397 1.858 20 0 EDADLP CCN1CCN(C(=O)NCC[N@H+](CC)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000353834961 445776590 /nfs/dbraw/zinc/77/65/90/445776590.db2.gz ZFKCNVOBESCESN-OAHLLOKOSA-N 2 2 334.468 1.282 20 0 EDADLP CCN1CCN(C(=O)NCC[N@@H+](CC)C2CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000353834961 445776594 /nfs/dbraw/zinc/77/65/94/445776594.db2.gz ZFKCNVOBESCESN-OAHLLOKOSA-N 2 2 334.468 1.282 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000361479091 445779823 /nfs/dbraw/zinc/77/98/23/445779823.db2.gz RATCTQGYLCXVDA-NZSAHSFTSA-N 3 2 348.535 1.392 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000361479091 445779827 /nfs/dbraw/zinc/77/98/27/445779827.db2.gz RATCTQGYLCXVDA-NZSAHSFTSA-N 3 2 348.535 1.392 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000361479091 445779833 /nfs/dbraw/zinc/77/98/33/445779833.db2.gz RATCTQGYLCXVDA-NZSAHSFTSA-N 3 2 348.535 1.392 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000361479091 445779839 /nfs/dbraw/zinc/77/98/39/445779839.db2.gz RATCTQGYLCXVDA-NZSAHSFTSA-N 3 2 348.535 1.392 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000350180559 445787091 /nfs/dbraw/zinc/78/70/91/445787091.db2.gz GOFZMPHEMAWSHU-CQSZACIVSA-N 2 2 340.493 1.823 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(C)cs2)C1 ZINC000350180559 445787093 /nfs/dbraw/zinc/78/70/93/445787093.db2.gz GOFZMPHEMAWSHU-CQSZACIVSA-N 2 2 340.493 1.823 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000356467707 445807305 /nfs/dbraw/zinc/80/73/05/445807305.db2.gz BYQJMVQMCAOULW-UHFFFAOYSA-N 2 2 331.420 1.005 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000363448932 445807954 /nfs/dbraw/zinc/80/79/54/445807954.db2.gz HZKHVRBORYSGCN-DLBZAZTESA-N 2 2 332.448 1.759 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000361538334 445810169 /nfs/dbraw/zinc/81/01/69/445810169.db2.gz OKMFIOBWRVSRDH-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000361538334 445810172 /nfs/dbraw/zinc/81/01/72/445810172.db2.gz OKMFIOBWRVSRDH-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000361538334 445810177 /nfs/dbraw/zinc/81/01/77/445810177.db2.gz OKMFIOBWRVSRDH-UHFFFAOYSA-N 2 2 348.495 1.215 20 0 EDADLP COCC1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC[NH2+]CC1 ZINC000358861346 445816327 /nfs/dbraw/zinc/81/63/27/445816327.db2.gz WLIPMXKCBTUHGA-UHFFFAOYSA-N 2 2 328.416 1.505 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000361590955 445837238 /nfs/dbraw/zinc/83/72/38/445837238.db2.gz WWUIYMUYFIOHJJ-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000361590955 445837244 /nfs/dbraw/zinc/83/72/44/445837244.db2.gz WWUIYMUYFIOHJJ-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP Cc1ccc2c(c1)C[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C2 ZINC000361590693 445837363 /nfs/dbraw/zinc/83/73/63/445837363.db2.gz ZGAJJCZUUNFFLJ-IBGZPJMESA-N 2 2 345.487 1.784 20 0 EDADLP Cc1ccc2c(c1)C[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C2 ZINC000361590693 445837369 /nfs/dbraw/zinc/83/73/69/445837369.db2.gz ZGAJJCZUUNFFLJ-IBGZPJMESA-N 2 2 345.487 1.784 20 0 EDADLP Cc1ccc2c(c1)C[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C2 ZINC000361590693 445837372 /nfs/dbraw/zinc/83/73/72/445837372.db2.gz ZGAJJCZUUNFFLJ-IBGZPJMESA-N 2 2 345.487 1.784 20 0 EDADLP Cc1ccc2c(c1)C[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C2 ZINC000361590693 445837378 /nfs/dbraw/zinc/83/73/78/445837378.db2.gz ZGAJJCZUUNFFLJ-IBGZPJMESA-N 2 2 345.487 1.784 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@@H](C)C1 ZINC000353979490 445837948 /nfs/dbraw/zinc/83/79/48/445837948.db2.gz QZGQJNDXIRBFMV-XWDNEUNKSA-N 3 2 336.524 1.390 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[C@@H](C)C1 ZINC000353979490 445837951 /nfs/dbraw/zinc/83/79/51/445837951.db2.gz QZGQJNDXIRBFMV-XWDNEUNKSA-N 3 2 336.524 1.390 20 0 EDADLP CC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[C@@H](C)C1 ZINC000353979490 445837954 /nfs/dbraw/zinc/83/79/54/445837954.db2.gz QZGQJNDXIRBFMV-XWDNEUNKSA-N 3 2 336.524 1.390 20 0 EDADLP CC[NH+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@@H](C)C1 ZINC000353979490 445837956 /nfs/dbraw/zinc/83/79/56/445837956.db2.gz QZGQJNDXIRBFMV-XWDNEUNKSA-N 3 2 336.524 1.390 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000358916707 445846719 /nfs/dbraw/zinc/84/67/19/445846719.db2.gz SXWVQQVIRKUVPB-ZDUSSCGKSA-N 2 2 325.478 1.696 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000350723956 445888360 /nfs/dbraw/zinc/88/83/60/445888360.db2.gz GOYPGVLEQOAPRH-HKUYNNGSSA-N 2 2 343.471 1.824 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000350723956 445888362 /nfs/dbraw/zinc/88/83/62/445888362.db2.gz GOYPGVLEQOAPRH-HKUYNNGSSA-N 2 2 343.471 1.824 20 0 EDADLP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000556842820 325752856 /nfs/dbraw/zinc/75/28/56/325752856.db2.gz NLAJTMUDOKLNKB-INIZCTEOSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@@H+]1C[C@@H](C)O ZINC000363734734 445872756 /nfs/dbraw/zinc/87/27/56/445872756.db2.gz BMGMZJBBZFVGDH-OWCLPIDISA-N 2 2 349.479 1.247 20 0 EDADLP CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@H+]1C[C@@H](C)O ZINC000363734734 445872762 /nfs/dbraw/zinc/87/27/62/445872762.db2.gz BMGMZJBBZFVGDH-OWCLPIDISA-N 2 2 349.479 1.247 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](O)Cc2ccccc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000356640010 445904522 /nfs/dbraw/zinc/90/45/22/445904522.db2.gz WURMOXGTXKLISZ-QFBILLFUSA-N 2 2 345.487 1.217 20 0 EDADLP C[C@H]1CN(C(=O)[C@H](O)Cc2ccccc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000356640010 445904528 /nfs/dbraw/zinc/90/45/28/445904528.db2.gz WURMOXGTXKLISZ-QFBILLFUSA-N 2 2 345.487 1.217 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]nc3-c3ccoc3)C2)CC1 ZINC000366049507 445982702 /nfs/dbraw/zinc/98/27/02/445982702.db2.gz AFKCPNWMDYWFMZ-CQSZACIVSA-N 2 2 343.431 1.568 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]nc3-c3ccoc3)C2)CC1 ZINC000366049507 445982704 /nfs/dbraw/zinc/98/27/04/445982704.db2.gz AFKCPNWMDYWFMZ-CQSZACIVSA-N 2 2 343.431 1.568 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000356748751 445985771 /nfs/dbraw/zinc/98/57/71/445985771.db2.gz WIKGTPKKOVULEK-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000356748751 445985779 /nfs/dbraw/zinc/98/57/79/445985779.db2.gz WIKGTPKKOVULEK-FUHWJXTLSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)no1 ZINC000359158252 445988195 /nfs/dbraw/zinc/98/81/95/445988195.db2.gz HSJRFAUTYIUCFA-OAHLLOKOSA-N 2 2 332.404 1.896 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1N(C)C ZINC000365046491 445990580 /nfs/dbraw/zinc/99/05/80/445990580.db2.gz LPNVVYDTSKXZMN-ZWKOTPCHSA-N 2 2 346.519 1.810 20 0 EDADLP Cn1cc([C@@H]2[C@H](CNc3nc[nH+]c(N)c3Cl)CCC[N@@H+]2C)cn1 ZINC000365052844 445993340 /nfs/dbraw/zinc/99/33/40/445993340.db2.gz KLULZSZOLWZOMB-GWCFXTLKSA-N 2 2 335.843 1.941 20 0 EDADLP Cn1cc([C@@H]2[C@H](CNc3nc[nH+]c(N)c3Cl)CCC[N@H+]2C)cn1 ZINC000365052844 445993345 /nfs/dbraw/zinc/99/33/45/445993345.db2.gz KLULZSZOLWZOMB-GWCFXTLKSA-N 2 2 335.843 1.941 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3ccccc3)C2)CC1 ZINC000369247600 446020136 /nfs/dbraw/zinc/02/01/36/446020136.db2.gz CMDAEIBWKOECHK-KRWDZBQOSA-N 2 2 330.476 1.697 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3ccccc3)C2)CC1 ZINC000369247600 446020139 /nfs/dbraw/zinc/02/01/39/446020139.db2.gz CMDAEIBWKOECHK-KRWDZBQOSA-N 2 2 330.476 1.697 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000365106333 446028105 /nfs/dbraw/zinc/02/81/05/446028105.db2.gz SFCYEGBXRNIFAF-HNNXBMFYSA-N 2 2 342.447 1.695 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(F)cc4[nH]cnc43)C2)CC1 ZINC000369274092 446041307 /nfs/dbraw/zinc/04/13/07/446041307.db2.gz MKGLTIPYKXTJTA-ZDUSSCGKSA-N 2 2 345.422 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(F)cc4[nH]cnc43)C2)CC1 ZINC000369274092 446041314 /nfs/dbraw/zinc/04/13/14/446041314.db2.gz MKGLTIPYKXTJTA-ZDUSSCGKSA-N 2 2 345.422 1.600 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(F)cc4nc[nH]c43)C2)CC1 ZINC000369274092 446041316 /nfs/dbraw/zinc/04/13/16/446041316.db2.gz MKGLTIPYKXTJTA-ZDUSSCGKSA-N 2 2 345.422 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(F)cc4nc[nH]c43)C2)CC1 ZINC000369274092 446041322 /nfs/dbraw/zinc/04/13/22/446041322.db2.gz MKGLTIPYKXTJTA-ZDUSSCGKSA-N 2 2 345.422 1.600 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCN2CCc3ccccc32)C[C@@H](C)O1 ZINC000583138896 326009899 /nfs/dbraw/zinc/00/98/99/326009899.db2.gz NUHGKTSGNFHBFH-ZHALLVOQSA-N 2 2 347.503 1.499 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000583194203 326023373 /nfs/dbraw/zinc/02/33/73/326023373.db2.gz DTKIBLBSOFJNMG-FPCVCCKLSA-N 2 2 346.479 1.186 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)ccc2[nH+]1 ZINC000583305395 326044762 /nfs/dbraw/zinc/04/47/62/326044762.db2.gz XTBSCZMHTHBESG-GASCZTMLSA-N 2 2 329.404 1.627 20 0 EDADLP Cc1cn2cc(NC(=O)NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)ccc2[nH+]1 ZINC000583305395 326044765 /nfs/dbraw/zinc/04/47/65/326044765.db2.gz XTBSCZMHTHBESG-GASCZTMLSA-N 2 2 329.404 1.627 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000583451677 326076288 /nfs/dbraw/zinc/07/62/88/326076288.db2.gz CJSATHRYPZBSID-ZBFHGGJFSA-N 2 2 329.404 1.694 20 0 EDADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000583760051 326135085 /nfs/dbraw/zinc/13/50/85/326135085.db2.gz VRXUVGKHMAVSGX-BRWVUGGUSA-N 2 2 343.475 1.311 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583881359 326160085 /nfs/dbraw/zinc/16/00/85/326160085.db2.gz ZOQMOXLBDVSRSN-BBRMVZONSA-N 2 2 339.867 1.780 20 0 EDADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000354270061 446065964 /nfs/dbraw/zinc/06/59/64/446065964.db2.gz XDVXIQROCXXZFZ-KRWDZBQOSA-N 2 2 326.444 1.884 20 0 EDADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000354270061 446065969 /nfs/dbraw/zinc/06/59/69/446065969.db2.gz XDVXIQROCXXZFZ-KRWDZBQOSA-N 2 2 326.444 1.884 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]12 ZINC000351473258 446074831 /nfs/dbraw/zinc/07/48/31/446074831.db2.gz DDKBVRHYBOWNRD-AEGPPILISA-N 2 2 331.416 1.456 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCCO4)C[C@H]12 ZINC000351473258 446074837 /nfs/dbraw/zinc/07/48/37/446074837.db2.gz DDKBVRHYBOWNRD-AEGPPILISA-N 2 2 331.416 1.456 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000361931707 446082194 /nfs/dbraw/zinc/08/21/94/446082194.db2.gz YEMHPMYGPGRPAF-PBHICJAKSA-N 2 2 339.443 1.576 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000361931707 446082197 /nfs/dbraw/zinc/08/21/97/446082197.db2.gz YEMHPMYGPGRPAF-PBHICJAKSA-N 2 2 339.443 1.576 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000369646133 446140229 /nfs/dbraw/zinc/14/02/29/446140229.db2.gz GFCMUNHSSCDZLY-YOEHRIQHSA-N 2 2 342.443 2.422 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000369646133 446140232 /nfs/dbraw/zinc/14/02/32/446140232.db2.gz GFCMUNHSSCDZLY-YOEHRIQHSA-N 2 2 342.443 2.422 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000356898805 446106368 /nfs/dbraw/zinc/10/63/68/446106368.db2.gz KCBGUZBJQZHCFD-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000356898805 446106371 /nfs/dbraw/zinc/10/63/71/446106371.db2.gz KCBGUZBJQZHCFD-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000356898805 446106373 /nfs/dbraw/zinc/10/63/73/446106373.db2.gz KCBGUZBJQZHCFD-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000356898805 446106376 /nfs/dbraw/zinc/10/63/76/446106376.db2.gz KCBGUZBJQZHCFD-LMMKCTJWSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000356911420 446117737 /nfs/dbraw/zinc/11/77/37/446117737.db2.gz FNMUPHPCXFDTJH-KCXAZCMYSA-N 2 2 329.423 1.939 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000356911420 446117742 /nfs/dbraw/zinc/11/77/42/446117742.db2.gz FNMUPHPCXFDTJH-KCXAZCMYSA-N 2 2 329.423 1.939 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(CCO)CCOC1 ZINC000361980216 446123601 /nfs/dbraw/zinc/12/36/01/446123601.db2.gz IKCLYGSOQWIHME-BHIYHBOVSA-N 2 2 333.476 1.671 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(CCO)CCOC1 ZINC000361980216 446123607 /nfs/dbraw/zinc/12/36/07/446123607.db2.gz IKCLYGSOQWIHME-BHIYHBOVSA-N 2 2 333.476 1.671 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)c1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000369540237 446129520 /nfs/dbraw/zinc/12/95/20/446129520.db2.gz IOWKWPSZBDCERO-HUUCEWRRSA-N 2 2 342.447 1.963 20 0 EDADLP O[C@@H](C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1)c1ccccc1 ZINC000362046074 446176125 /nfs/dbraw/zinc/17/61/25/446176125.db2.gz MXJWLGQPMUDHQW-ZCNNSNEGSA-N 2 2 345.487 1.201 20 0 EDADLP O[C@@H](C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1)c1ccccc1 ZINC000362046074 446176131 /nfs/dbraw/zinc/17/61/31/446176131.db2.gz MXJWLGQPMUDHQW-ZCNNSNEGSA-N 2 2 345.487 1.201 20 0 EDADLP C[N@H+](CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000354372764 446156743 /nfs/dbraw/zinc/15/67/43/446156743.db2.gz PKRAUHPHUGVIGI-UHFFFAOYSA-N 2 2 327.432 1.186 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000354372764 446156746 /nfs/dbraw/zinc/15/67/46/446156746.db2.gz PKRAUHPHUGVIGI-UHFFFAOYSA-N 2 2 327.432 1.186 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000370288072 446215371 /nfs/dbraw/zinc/21/53/71/446215371.db2.gz LKDWSYSDUFFNIF-GOSISDBHSA-N 3 2 336.524 1.348 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000370288072 446215374 /nfs/dbraw/zinc/21/53/74/446215374.db2.gz LKDWSYSDUFFNIF-GOSISDBHSA-N 3 2 336.524 1.348 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C2 ZINC000365454703 446215751 /nfs/dbraw/zinc/21/57/51/446215751.db2.gz LSUJTCHRPKDYDF-TZMCWYRMSA-N 2 2 335.452 1.134 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(N[C@H](C)CC[NH+]2CCN(C)CC2)n1 ZINC000373502596 446240127 /nfs/dbraw/zinc/24/01/27/446240127.db2.gz ZDOCAWDSDUTDMI-OAHLLOKOSA-N 2 2 328.464 2.014 20 0 EDADLP Cc1[nH+]ccn1-c1cccc(N[C@H](C)CCN2CC[NH+](C)CC2)n1 ZINC000373502596 446240128 /nfs/dbraw/zinc/24/01/28/446240128.db2.gz ZDOCAWDSDUTDMI-OAHLLOKOSA-N 2 2 328.464 2.014 20 0 EDADLP O=C(C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)NCc1ccc(F)cc1 ZINC000365547907 446248657 /nfs/dbraw/zinc/24/86/57/446248657.db2.gz OMBZLMCQXRLPBX-BPQIPLTHSA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)NCc1ccc(F)cc1 ZINC000365547907 446248660 /nfs/dbraw/zinc/24/86/60/446248660.db2.gz OMBZLMCQXRLPBX-BPQIPLTHSA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)NCc1ccc(F)cc1 ZINC000365547907 446248663 /nfs/dbraw/zinc/24/86/63/446248663.db2.gz OMBZLMCQXRLPBX-BPQIPLTHSA-N 2 2 331.435 1.858 20 0 EDADLP O=C(C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)NCc1ccc(F)cc1 ZINC000365547907 446248666 /nfs/dbraw/zinc/24/86/66/446248666.db2.gz OMBZLMCQXRLPBX-BPQIPLTHSA-N 2 2 331.435 1.858 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000370373444 446251453 /nfs/dbraw/zinc/25/14/53/446251453.db2.gz DGRWFMYKJWLRSU-CYBMUJFWSA-N 2 2 342.447 1.198 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000373561448 446261238 /nfs/dbraw/zinc/26/12/38/446261238.db2.gz JCTJKEOFJUQEGK-INIZCTEOSA-N 2 2 327.432 1.766 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000373561448 446261241 /nfs/dbraw/zinc/26/12/41/446261241.db2.gz JCTJKEOFJUQEGK-INIZCTEOSA-N 2 2 327.432 1.766 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000373561448 446261244 /nfs/dbraw/zinc/26/12/44/446261244.db2.gz JCTJKEOFJUQEGK-INIZCTEOSA-N 2 2 327.432 1.766 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000373561448 446261246 /nfs/dbraw/zinc/26/12/46/446261246.db2.gz JCTJKEOFJUQEGK-INIZCTEOSA-N 2 2 327.432 1.766 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)[NH+]1CCCCC1 ZINC000366563133 446263038 /nfs/dbraw/zinc/26/30/38/446263038.db2.gz XJTPUDBXMDYJRC-KZNAEPCWSA-N 2 2 337.508 1.819 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC000373566634 446263756 /nfs/dbraw/zinc/26/37/56/446263756.db2.gz ITYAVLBDRAGSFG-ZACQAIPSSA-N 2 2 348.491 1.699 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC000373566634 446263758 /nfs/dbraw/zinc/26/37/58/446263758.db2.gz ITYAVLBDRAGSFG-ZACQAIPSSA-N 2 2 348.491 1.699 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCC1(C)C[NH+](Cc2ccccc2)C1 ZINC000373588384 446272926 /nfs/dbraw/zinc/27/29/26/446272926.db2.gz LPDLYHMCPYNQRD-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000370429151 446274380 /nfs/dbraw/zinc/27/43/80/446274380.db2.gz XLEKEHPWMHSRRQ-OAHLLOKOSA-N 2 2 330.432 1.937 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NCc2[nH+]c(C)n3c2CCCC3)C[C@@H]1C ZINC000362293850 446309107 /nfs/dbraw/zinc/30/91/07/446309107.db2.gz PXFZGJVADSNRTH-AWEZNQCLSA-N 2 2 349.479 1.390 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NCc2[nH+]c(C)n3c2CCCC3)C[C@@H]1C ZINC000362293850 446309111 /nfs/dbraw/zinc/30/91/11/446309111.db2.gz PXFZGJVADSNRTH-AWEZNQCLSA-N 2 2 349.479 1.390 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000417468888 446352906 /nfs/dbraw/zinc/35/29/06/446352906.db2.gz PIXCFLHJUVVHOP-GHMZBOCLSA-N 2 2 333.358 1.714 20 0 EDADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(CC[NH+]3CCOCC3)C1)CC2 ZINC000370615343 446359546 /nfs/dbraw/zinc/35/95/46/446359546.db2.gz BYIFPHAFQXRPIG-IEBWSBKVSA-N 2 2 333.451 1.809 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](n2cccn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000365829857 446360904 /nfs/dbraw/zinc/36/09/04/446360904.db2.gz DGWHJWMKCMEJNK-INIZCTEOSA-N 2 2 343.431 1.067 20 0 EDADLP O=C(C[N@H+]1CC[C@H](n2cccn2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000365829857 446360906 /nfs/dbraw/zinc/36/09/06/446360906.db2.gz DGWHJWMKCMEJNK-INIZCTEOSA-N 2 2 343.431 1.067 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1O ZINC000370636074 446366947 /nfs/dbraw/zinc/36/69/47/446366947.db2.gz FHNJXQHDCJRRCL-UHFFFAOYSA-N 2 2 349.475 1.287 20 0 EDADLP COc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1O ZINC000370636074 446366953 /nfs/dbraw/zinc/36/69/53/446366953.db2.gz FHNJXQHDCJRRCL-UHFFFAOYSA-N 2 2 349.475 1.287 20 0 EDADLP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000365859169 446373487 /nfs/dbraw/zinc/37/34/87/446373487.db2.gz FVAMMHLXYZCNSL-QFBILLFUSA-N 2 2 345.487 1.931 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnc(N(C)C)nc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370702463 446393992 /nfs/dbraw/zinc/39/39/92/446393992.db2.gz XLDTWDFDTFWKCO-DOTOQJQBSA-N 2 2 332.496 1.000 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370702463 446393995 /nfs/dbraw/zinc/39/39/95/446393995.db2.gz XLDTWDFDTFWKCO-DOTOQJQBSA-N 2 2 332.496 1.000 20 0 EDADLP Cc1cc(N2CCC([N@H+](C)C[C@H]3CNC(=O)O3)CC2)nc(C(C)C)[nH+]1 ZINC000366784644 446349521 /nfs/dbraw/zinc/34/95/21/446349521.db2.gz ZHBWWNCTVCBGSQ-OAHLLOKOSA-N 2 2 347.463 1.917 20 0 EDADLP Cc1cc(N2CCC([N@@H+](C)C[C@H]3CNC(=O)O3)CC2)nc(C(C)C)[nH+]1 ZINC000366784644 446349526 /nfs/dbraw/zinc/34/95/26/446349526.db2.gz ZHBWWNCTVCBGSQ-OAHLLOKOSA-N 2 2 347.463 1.917 20 0 EDADLP CCNc1nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc(NC(C)(C)C)[nH+]1 ZINC000420253444 446433895 /nfs/dbraw/zinc/43/38/95/446433895.db2.gz AXBRTKVCVXOSLP-BETUJISGSA-N 2 2 333.484 1.372 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH+]1 ZINC000420253444 446433901 /nfs/dbraw/zinc/43/39/01/446433901.db2.gz AXBRTKVCVXOSLP-BETUJISGSA-N 2 2 333.484 1.372 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420253444 446433905 /nfs/dbraw/zinc/43/39/05/446433905.db2.gz AXBRTKVCVXOSLP-BETUJISGSA-N 2 2 333.484 1.372 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCCN2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000423193529 446450199 /nfs/dbraw/zinc/45/01/99/446450199.db2.gz WTCSVMVMHKQTSM-AZUAARDMSA-N 3 2 330.520 1.924 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCCN2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423193529 446450207 /nfs/dbraw/zinc/45/02/07/446450207.db2.gz WTCSVMVMHKQTSM-AZUAARDMSA-N 3 2 330.520 1.924 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418003469 446412245 /nfs/dbraw/zinc/41/22/45/446412245.db2.gz YJCFIHYQRCBBSP-KGLIPLIRSA-N 2 2 328.819 1.872 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418003469 446412249 /nfs/dbraw/zinc/41/22/49/446412249.db2.gz YJCFIHYQRCBBSP-KGLIPLIRSA-N 2 2 328.819 1.872 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370806071 446451733 /nfs/dbraw/zinc/45/17/33/446451733.db2.gz MTKXNBWOPTZUFN-OAHLLOKOSA-N 2 2 328.416 1.278 20 0 EDADLP COCC[C@@]1(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[NH2+]C1 ZINC000370755664 446418075 /nfs/dbraw/zinc/41/80/75/446418075.db2.gz FMGOQWLABHTNDS-SFHVURJKSA-N 2 2 330.432 1.477 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000418052674 446425840 /nfs/dbraw/zinc/42/58/40/446425840.db2.gz XIPUCKFSJVTEPH-INIZCTEOSA-N 2 2 336.867 1.735 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000418052674 446425845 /nfs/dbraw/zinc/42/58/45/446425845.db2.gz XIPUCKFSJVTEPH-INIZCTEOSA-N 2 2 336.867 1.735 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000420295842 446458715 /nfs/dbraw/zinc/45/87/15/446458715.db2.gz WEEVXWIDNNNPTJ-HZPDHXFCSA-N 2 2 347.459 1.642 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000420295842 446458722 /nfs/dbraw/zinc/45/87/22/446458722.db2.gz WEEVXWIDNNNPTJ-HZPDHXFCSA-N 2 2 347.459 1.642 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000420299235 446461311 /nfs/dbraw/zinc/46/13/11/446461311.db2.gz TXIUQBCGLMQYTG-SUMWQHHRSA-N 2 2 337.414 1.997 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000420299235 446461314 /nfs/dbraw/zinc/46/13/14/446461314.db2.gz TXIUQBCGLMQYTG-SUMWQHHRSA-N 2 2 337.414 1.997 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000420300130 446463580 /nfs/dbraw/zinc/46/35/80/446463580.db2.gz HFSUQHURCOCWDP-FUHWJXTLSA-N 2 2 347.459 1.061 20 0 EDADLP CN(C(=O)c1cc(Cl)cn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829197 446464360 /nfs/dbraw/zinc/46/43/60/446464360.db2.gz FDBYRUGIVQCDET-HNNXBMFYSA-N 2 2 338.883 1.919 20 0 EDADLP CN(C(=O)c1cc(Cl)cn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829197 446464362 /nfs/dbraw/zinc/46/43/62/446464362.db2.gz FDBYRUGIVQCDET-HNNXBMFYSA-N 2 2 338.883 1.919 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CCS(=O)(=O)N(C)C)C2)CC1 ZINC000367016432 446464806 /nfs/dbraw/zinc/46/48/06/446464806.db2.gz QFJRMLHCZLHBNG-INIZCTEOSA-N 2 2 331.526 1.322 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCS(=O)(=O)N(C)C)C2)CC1 ZINC000367016432 446464815 /nfs/dbraw/zinc/46/48/15/446464815.db2.gz QFJRMLHCZLHBNG-INIZCTEOSA-N 2 2 331.526 1.322 20 0 EDADLP CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000420302451 446465421 /nfs/dbraw/zinc/46/54/21/446465421.db2.gz MFQGQNBAKPPWKA-GOEBONIOSA-N 2 2 342.505 1.883 20 0 EDADLP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000420302451 446465424 /nfs/dbraw/zinc/46/54/24/446465424.db2.gz MFQGQNBAKPPWKA-GOEBONIOSA-N 2 2 342.505 1.883 20 0 EDADLP CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)CS(=O)(=O)CC ZINC000420302450 446465917 /nfs/dbraw/zinc/46/59/17/446465917.db2.gz MFQGQNBAKPPWKA-GDBMZVCRSA-N 2 2 342.505 1.883 20 0 EDADLP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)CS(=O)(=O)CC ZINC000420302450 446465925 /nfs/dbraw/zinc/46/59/25/446465925.db2.gz MFQGQNBAKPPWKA-GDBMZVCRSA-N 2 2 342.505 1.883 20 0 EDADLP Cc1noc(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370840486 446473832 /nfs/dbraw/zinc/47/38/32/446473832.db2.gz VWVJJPGKKKZMNZ-MRXNPFEDSA-N 2 2 349.479 1.328 20 0 EDADLP Cc1noc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000370840486 446473836 /nfs/dbraw/zinc/47/38/36/446473836.db2.gz VWVJJPGKKKZMNZ-MRXNPFEDSA-N 2 2 349.479 1.328 20 0 EDADLP CC[C@@]1(C(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000370847735 446480519 /nfs/dbraw/zinc/48/05/19/446480519.db2.gz UENOIBVVGPXPRN-UYAOXDASSA-N 2 2 345.487 1.874 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000367047424 446488107 /nfs/dbraw/zinc/48/81/07/446488107.db2.gz JALASRXOCHLPPJ-IXDOHACOSA-N 2 2 346.475 1.381 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000367047424 446488110 /nfs/dbraw/zinc/48/81/10/446488110.db2.gz JALASRXOCHLPPJ-IXDOHACOSA-N 2 2 346.475 1.381 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000420323680 446489919 /nfs/dbraw/zinc/48/99/19/446489919.db2.gz GSEJKXQVYBBNEC-MRXNPFEDSA-N 2 2 331.460 1.929 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000420323680 446489926 /nfs/dbraw/zinc/48/99/26/446489926.db2.gz GSEJKXQVYBBNEC-MRXNPFEDSA-N 2 2 331.460 1.929 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000420327327 446495279 /nfs/dbraw/zinc/49/52/79/446495279.db2.gz YNFUJFABSNSQDW-VXGBXAGGSA-N 2 2 339.461 1.841 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1C ZINC000420327327 446495287 /nfs/dbraw/zinc/49/52/87/446495287.db2.gz YNFUJFABSNSQDW-VXGBXAGGSA-N 2 2 339.461 1.841 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(c3cccnn3)CC2)cc1 ZINC000420328310 446497574 /nfs/dbraw/zinc/49/75/74/446497574.db2.gz ZYRKCJICDGFBLY-INIZCTEOSA-N 2 2 327.432 1.350 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(OCCO)CCOCC2)C1 ZINC000367067353 446498593 /nfs/dbraw/zinc/49/85/93/446498593.db2.gz QXGDINVLEDEPAO-HKUYNNGSSA-N 2 2 348.487 1.970 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(OCCO)CCOCC2)C1 ZINC000367067353 446498597 /nfs/dbraw/zinc/49/85/97/446498597.db2.gz QXGDINVLEDEPAO-HKUYNNGSSA-N 2 2 348.487 1.970 20 0 EDADLP C[C@H]1CN(CC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)CCO1 ZINC000367067604 446499286 /nfs/dbraw/zinc/49/92/86/446499286.db2.gz SIDZBBUBVDTPLX-KRWDZBQOSA-N 2 2 335.496 1.000 20 0 EDADLP C[C@H]1CN(CC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)CCO1 ZINC000367067604 446499289 /nfs/dbraw/zinc/49/92/89/446499289.db2.gz SIDZBBUBVDTPLX-KRWDZBQOSA-N 2 2 335.496 1.000 20 0 EDADLP C[C@H]1C[N@H+](CCN(C)C2CC[NH+](CCn3cccn3)CC2)CCO1 ZINC000367067604 446499291 /nfs/dbraw/zinc/49/92/91/446499291.db2.gz SIDZBBUBVDTPLX-KRWDZBQOSA-N 2 2 335.496 1.000 20 0 EDADLP C[C@H]1C[N@@H+](CCN(C)C2CC[NH+](CCn3cccn3)CC2)CCO1 ZINC000367067604 446499293 /nfs/dbraw/zinc/49/92/93/446499293.db2.gz SIDZBBUBVDTPLX-KRWDZBQOSA-N 2 2 335.496 1.000 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420384260 446558562 /nfs/dbraw/zinc/55/85/62/446558562.db2.gz GJEIUDOJOGCQGK-LSDHHAIUSA-N 2 2 335.448 1.264 20 0 EDADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420384260 446558567 /nfs/dbraw/zinc/55/85/67/446558567.db2.gz GJEIUDOJOGCQGK-LSDHHAIUSA-N 2 2 335.448 1.264 20 0 EDADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420388054 446563050 /nfs/dbraw/zinc/56/30/50/446563050.db2.gz KSOMFGICHNCSQO-RLFYNMQTSA-N 2 2 333.476 1.864 20 0 EDADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420388054 446563055 /nfs/dbraw/zinc/56/30/55/446563055.db2.gz KSOMFGICHNCSQO-RLFYNMQTSA-N 2 2 333.476 1.864 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000418496547 446566168 /nfs/dbraw/zinc/56/61/68/446566168.db2.gz VLIYBNVFUUPBFW-GJZGRUSLSA-N 2 2 334.464 1.678 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423396050 446516687 /nfs/dbraw/zinc/51/66/87/446516687.db2.gz SYCLTEDAKHOSID-KEYYUXOJSA-N 2 2 335.473 1.332 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423399949 446518644 /nfs/dbraw/zinc/51/86/44/446518644.db2.gz WDUZCCRUKSPIOE-XHDPSFHLSA-N 2 2 327.375 1.192 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000423399949 446518650 /nfs/dbraw/zinc/51/86/50/446518650.db2.gz WDUZCCRUKSPIOE-XHDPSFHLSA-N 2 2 327.375 1.192 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420391512 446566600 /nfs/dbraw/zinc/56/66/00/446566600.db2.gz OJBYUXXUWGSECL-CZUORRHYSA-N 2 2 339.867 1.909 20 0 EDADLP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420391512 446566608 /nfs/dbraw/zinc/56/66/08/446566608.db2.gz OJBYUXXUWGSECL-CZUORRHYSA-N 2 2 339.867 1.909 20 0 EDADLP CCCCNc1cc(N2CCC[N@H+](CC(C)(C)O)CC2)nc(N)[nH+]1 ZINC000376480454 446522761 /nfs/dbraw/zinc/52/27/61/446522761.db2.gz PHEMUDUEZFVTHA-UHFFFAOYSA-N 2 2 336.484 1.554 20 0 EDADLP CCCCNc1cc(N2CCC[N@@H+](CC(C)(C)O)CC2)nc(N)[nH+]1 ZINC000376480454 446522767 /nfs/dbraw/zinc/52/27/67/446522767.db2.gz PHEMUDUEZFVTHA-UHFFFAOYSA-N 2 2 336.484 1.554 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000420355624 446535978 /nfs/dbraw/zinc/53/59/78/446535978.db2.gz CDCWIZNMPQIXTH-GPCCPHFNSA-N 2 2 341.253 1.759 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000420357926 446538074 /nfs/dbraw/zinc/53/80/74/446538074.db2.gz IDIXKLBRKYCEBV-INIZCTEOSA-N 2 2 336.455 1.437 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000420359576 446539752 /nfs/dbraw/zinc/53/97/52/446539752.db2.gz GDVXINACTJXIAJ-XJKCOSOUSA-N 2 2 328.453 1.966 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000420362910 446543100 /nfs/dbraw/zinc/54/31/00/446543100.db2.gz ZTUSKQYGMPVRDX-GXFFZTMASA-N 2 2 332.231 1.350 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000420362910 446543106 /nfs/dbraw/zinc/54/31/06/446543106.db2.gz ZTUSKQYGMPVRDX-GXFFZTMASA-N 2 2 332.231 1.350 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000420368694 446546133 /nfs/dbraw/zinc/54/61/33/446546133.db2.gz IDSWPOQTVXBPNS-CQSZACIVSA-N 2 2 331.420 1.441 20 0 EDADLP [NH3+][C@@H](CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)c1ccccc1 ZINC000418448007 446546640 /nfs/dbraw/zinc/54/66/40/446546640.db2.gz IYCHSSQPLSMXDH-ROUUACIJSA-N 2 2 346.475 1.583 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420365588 446546722 /nfs/dbraw/zinc/54/67/22/446546722.db2.gz SIEGZHDCFSLVEH-QGZVFWFLSA-N 2 2 333.476 1.851 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423462818 446547378 /nfs/dbraw/zinc/54/73/78/446547378.db2.gz PNTYSNHCDSTRLB-BWDFJHHZSA-N 2 2 335.492 1.652 20 0 EDADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423462818 446547383 /nfs/dbraw/zinc/54/73/83/446547383.db2.gz PNTYSNHCDSTRLB-BWDFJHHZSA-N 2 2 335.492 1.652 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423472244 446550311 /nfs/dbraw/zinc/55/03/11/446550311.db2.gz NBTHQZXEYWETGO-OYSPMZIOSA-N 3 2 335.467 1.875 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000411588675 446617575 /nfs/dbraw/zinc/61/75/75/446617575.db2.gz ZZWHYNFZRGEFCA-CQSZACIVSA-N 2 2 332.448 1.888 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000420394319 446568824 /nfs/dbraw/zinc/56/88/24/446568824.db2.gz ZQPDGSIMUGIBGL-QGZVFWFLSA-N 3 2 346.519 1.697 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000420394319 446568832 /nfs/dbraw/zinc/56/88/32/446568832.db2.gz ZQPDGSIMUGIBGL-QGZVFWFLSA-N 3 2 346.519 1.697 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000420393364 446569194 /nfs/dbraw/zinc/56/91/94/446569194.db2.gz XQQGCBFRSNMEQE-AWEZNQCLSA-N 2 2 332.448 1.682 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000420393364 446569195 /nfs/dbraw/zinc/56/91/95/446569195.db2.gz XQQGCBFRSNMEQE-AWEZNQCLSA-N 2 2 332.448 1.682 20 0 EDADLP CN(C)c1nc(N)nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000411510765 446577951 /nfs/dbraw/zinc/57/79/51/446577951.db2.gz ZJYNNEWCLGAQSM-UHFFFAOYSA-N 2 2 344.467 1.409 20 0 EDADLP CC1(C)CN(C(=O)NCC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000418528216 446581898 /nfs/dbraw/zinc/58/18/98/446581898.db2.gz UUNCBRVLOSWTKL-UHFFFAOYSA-N 2 2 340.418 1.886 20 0 EDADLP CC1(C)CN(C(=O)NCC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418528216 446581903 /nfs/dbraw/zinc/58/19/03/446581903.db2.gz UUNCBRVLOSWTKL-UHFFFAOYSA-N 2 2 340.418 1.886 20 0 EDADLP CC1CC[NH+](CC(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)CC1 ZINC000423598412 446596510 /nfs/dbraw/zinc/59/65/10/446596510.db2.gz WHWYEULFAXPWHH-UHFFFAOYSA-N 2 2 328.420 1.601 20 0 EDADLP CC(C)c1cc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)nc(N(C)C)[nH+]1 ZINC000433776388 446598951 /nfs/dbraw/zinc/59/89/51/446598951.db2.gz YDESISWMOKRMQL-ZBFHGGJFSA-N 2 2 333.480 1.823 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)cs1 ZINC000371058642 446603163 /nfs/dbraw/zinc/60/31/63/446603163.db2.gz FTXWMWBQHJHNLY-UHFFFAOYSA-N 2 2 336.505 1.828 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)cs1 ZINC000371058642 446603171 /nfs/dbraw/zinc/60/31/71/446603171.db2.gz FTXWMWBQHJHNLY-UHFFFAOYSA-N 2 2 336.505 1.828 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423611377 446604574 /nfs/dbraw/zinc/60/45/74/446604574.db2.gz OAOYSUUPWXTNSD-RCCFBDPRSA-N 2 2 331.460 1.441 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423611377 446604579 /nfs/dbraw/zinc/60/45/79/446604579.db2.gz OAOYSUUPWXTNSD-RCCFBDPRSA-N 2 2 331.460 1.441 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C[N@@H+]1C ZINC000433887293 446607525 /nfs/dbraw/zinc/60/75/25/446607525.db2.gz HKBHSNDKWBMIQT-KGLIPLIRSA-N 2 2 325.478 1.461 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C[N@H+]1C ZINC000433887293 446607530 /nfs/dbraw/zinc/60/75/30/446607530.db2.gz HKBHSNDKWBMIQT-KGLIPLIRSA-N 2 2 325.478 1.461 20 0 EDADLP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418694844 446652149 /nfs/dbraw/zinc/65/21/49/446652149.db2.gz KXGPHCCJWRLFOJ-CABCVRRESA-N 2 2 349.479 1.828 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423713433 446654686 /nfs/dbraw/zinc/65/46/86/446654686.db2.gz FHCOAQPEYKRFJP-SQNIBIBYSA-N 2 2 335.492 1.335 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423713433 446654692 /nfs/dbraw/zinc/65/46/92/446654692.db2.gz FHCOAQPEYKRFJP-SQNIBIBYSA-N 2 2 335.492 1.335 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423713431 446654770 /nfs/dbraw/zinc/65/47/70/446654770.db2.gz FHCOAQPEYKRFJP-KURKYZTESA-N 2 2 335.492 1.335 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423713431 446654776 /nfs/dbraw/zinc/65/47/76/446654776.db2.gz FHCOAQPEYKRFJP-KURKYZTESA-N 2 2 335.492 1.335 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[N@@H+](C2CC2)C1 ZINC000418737915 446661891 /nfs/dbraw/zinc/66/18/91/446661891.db2.gz WLRPXTNYQLHEIA-QWHCGFSZSA-N 2 2 330.423 1.357 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[N@H+](C2CC2)C1 ZINC000418737915 446661897 /nfs/dbraw/zinc/66/18/97/446661897.db2.gz WLRPXTNYQLHEIA-QWHCGFSZSA-N 2 2 330.423 1.357 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000434135122 446625746 /nfs/dbraw/zinc/62/57/46/446625746.db2.gz JTWSOYIDGSYXBO-CABCVRRESA-N 2 2 337.468 1.190 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418637262 446626296 /nfs/dbraw/zinc/62/62/96/446626296.db2.gz JRSYXKNQJHPDPW-QGZVFWFLSA-N 2 2 336.480 1.048 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418637262 446626301 /nfs/dbraw/zinc/62/63/01/446626301.db2.gz JRSYXKNQJHPDPW-QGZVFWFLSA-N 2 2 336.480 1.048 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2CCC[N@@H+](C3CCCC3)CC2)[nH+]1 ZINC000376652088 446629974 /nfs/dbraw/zinc/62/99/74/446629974.db2.gz OZKUIYUYFLFVAK-MRXNPFEDSA-N 2 2 345.491 2.522 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(N2CCC[N@H+](C3CCCC3)CC2)[nH+]1 ZINC000376652088 446629980 /nfs/dbraw/zinc/62/99/80/446629980.db2.gz OZKUIYUYFLFVAK-MRXNPFEDSA-N 2 2 345.491 2.522 20 0 EDADLP CC(C)[C@H](CNc1nc(N[C@@H]2CCCOC2)cc[nH+]1)[NH+]1CCOCC1 ZINC000435344420 446690975 /nfs/dbraw/zinc/69/09/75/446690975.db2.gz VMYARWLMXKMNOQ-CVEARBPZSA-N 2 2 349.479 1.836 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000423810507 446701239 /nfs/dbraw/zinc/70/12/39/446701239.db2.gz NWSPHRRCNFGPPQ-OAHLLOKOSA-N 2 2 335.448 1.074 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418792722 446705028 /nfs/dbraw/zinc/70/50/28/446705028.db2.gz PCWXCCXKRFENBK-BFYDXBDKSA-N 2 2 331.464 1.597 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423837732 446726482 /nfs/dbraw/zinc/72/64/82/446726482.db2.gz XBZZSKNKLLOMQN-MELADBBJSA-N 2 2 325.865 1.864 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CSC[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423837732 446726484 /nfs/dbraw/zinc/72/64/84/446726484.db2.gz XBZZSKNKLLOMQN-MELADBBJSA-N 2 2 325.865 1.864 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418762807 446682015 /nfs/dbraw/zinc/68/20/15/446682015.db2.gz MHGAKHXEWJLMMR-OAHLLOKOSA-N 2 2 344.450 1.749 20 0 EDADLP COCC[NH2+]CC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000423892206 446746662 /nfs/dbraw/zinc/74/66/62/446746662.db2.gz KKGAFLGNZGEGOH-UHFFFAOYSA-N 2 2 342.443 1.247 20 0 EDADLP COCC[C@H]1COCC[NH+]1C/C=C/C[N@H+]1CCOC[C@@H]1CCOC ZINC000368283572 446758844 /nfs/dbraw/zinc/75/88/44/446758844.db2.gz XLNFNHLAMZKRFR-ZFRRBFPSSA-N 2 2 342.480 1.017 20 0 EDADLP COCC[C@H]1COCC[NH+]1C/C=C/C[N@@H+]1CCOC[C@@H]1CCOC ZINC000368283572 446758848 /nfs/dbraw/zinc/75/88/48/446758848.db2.gz XLNFNHLAMZKRFR-ZFRRBFPSSA-N 2 2 342.480 1.017 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)[C@H]1CC[NH2+]C1 ZINC000423911666 446762039 /nfs/dbraw/zinc/76/20/39/446762039.db2.gz HIKFLVZEHDIHIX-IHRRRGAJSA-N 2 2 325.453 1.728 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)[C@H]1CC[NH2+]C1 ZINC000423911666 446762048 /nfs/dbraw/zinc/76/20/48/446762048.db2.gz HIKFLVZEHDIHIX-IHRRRGAJSA-N 2 2 325.453 1.728 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000371309919 446764895 /nfs/dbraw/zinc/76/48/95/446764895.db2.gz DMTFWDMIWBHHII-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000371309919 446764902 /nfs/dbraw/zinc/76/49/02/446764902.db2.gz DMTFWDMIWBHHII-HOTGVXAUSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[C@@H]1C ZINC000368294109 446764988 /nfs/dbraw/zinc/76/49/88/446764988.db2.gz OHLVRQWAJXIEHI-RLFYNMQTSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)C[C@@H]1C ZINC000368294109 446764992 /nfs/dbraw/zinc/76/49/92/446764992.db2.gz OHLVRQWAJXIEHI-RLFYNMQTSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@@H]1C ZINC000368294109 446764997 /nfs/dbraw/zinc/76/49/97/446764997.db2.gz OHLVRQWAJXIEHI-RLFYNMQTSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H]1C ZINC000368294109 446765003 /nfs/dbraw/zinc/76/50/03/446765003.db2.gz OHLVRQWAJXIEHI-RLFYNMQTSA-N 2 2 346.475 1.270 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000423922546 446772097 /nfs/dbraw/zinc/77/20/97/446772097.db2.gz WDLTWUQCDDQKCB-SOUVJXGZSA-N 2 2 339.459 1.164 20 0 EDADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000423922546 446772102 /nfs/dbraw/zinc/77/21/02/446772102.db2.gz WDLTWUQCDDQKCB-SOUVJXGZSA-N 2 2 339.459 1.164 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CC2(C[NH3+])CC2)on1 ZINC000423925758 446777177 /nfs/dbraw/zinc/77/71/77/446777177.db2.gz OEDJFNNFJNBUGX-KBPBESRZSA-N 2 2 338.427 1.483 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CC2(C[NH3+])CC2)on1 ZINC000423925758 446777184 /nfs/dbraw/zinc/77/71/84/446777184.db2.gz OEDJFNNFJNBUGX-KBPBESRZSA-N 2 2 338.427 1.483 20 0 EDADLP [NH3+]C1(CNC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CCCCCC1 ZINC000418891337 446778078 /nfs/dbraw/zinc/77/80/78/446778078.db2.gz DPYKMAWRRZWFRN-UHFFFAOYSA-N 2 2 343.431 1.118 20 0 EDADLP [NH3+]C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000423967963 446800821 /nfs/dbraw/zinc/80/08/21/446800821.db2.gz UBMNFGUQJVOBGH-SFHVURJKSA-N 2 2 331.460 1.766 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(-n2ccnn2)c1 ZINC000376900427 446785893 /nfs/dbraw/zinc/78/58/93/446785893.db2.gz ZTNKJKINTQYLCD-BMGDILEWSA-N 2 2 327.432 1.781 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(-n2ccnn2)c1 ZINC000376900427 446785896 /nfs/dbraw/zinc/78/58/96/446785896.db2.gz ZTNKJKINTQYLCD-BMGDILEWSA-N 2 2 327.432 1.781 20 0 EDADLP [NH3+]C1(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CCCC1 ZINC000423934675 446785900 /nfs/dbraw/zinc/78/59/00/446785900.db2.gz ZOXOSKSADMHBPN-OAHLLOKOSA-N 2 2 344.459 1.933 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000423934799 446787127 /nfs/dbraw/zinc/78/71/27/446787127.db2.gz ZZMBEDUDOZOKHI-HBUWYVDXSA-N 2 2 330.432 1.127 20 0 EDADLP CCOC(=O)C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371356339 446801232 /nfs/dbraw/zinc/80/12/32/446801232.db2.gz XDCWFPWAZAGPNG-HNNXBMFYSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371356339 446801242 /nfs/dbraw/zinc/80/12/42/446801242.db2.gz XDCWFPWAZAGPNG-HNNXBMFYSA-N 2 2 339.480 1.203 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000424009165 446822064 /nfs/dbraw/zinc/82/20/64/446822064.db2.gz ZGNZIIMDPLWSCT-TXPKVOOTSA-N 2 2 343.475 1.289 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000424009165 446822069 /nfs/dbraw/zinc/82/20/69/446822069.db2.gz ZGNZIIMDPLWSCT-TXPKVOOTSA-N 2 2 343.475 1.289 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368376975 446823568 /nfs/dbraw/zinc/82/35/68/446823568.db2.gz NECIHEQMWBSGDR-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368376975 446823573 /nfs/dbraw/zinc/82/35/73/446823573.db2.gz NECIHEQMWBSGDR-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368384604 446827475 /nfs/dbraw/zinc/82/74/75/446827475.db2.gz WUXWXVGTFYGQLA-DOTOQJQBSA-N 3 2 339.528 1.137 20 0 EDADLP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368384604 446827479 /nfs/dbraw/zinc/82/74/79/446827479.db2.gz WUXWXVGTFYGQLA-DOTOQJQBSA-N 3 2 339.528 1.137 20 0 EDADLP Cc1[nH+]ccn1CCC[NH+]1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000368383184 446827782 /nfs/dbraw/zinc/82/77/82/446827782.db2.gz NQHMYBMUFRVRON-UHFFFAOYSA-N 2 2 326.466 1.128 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000454307661 446839218 /nfs/dbraw/zinc/83/92/18/446839218.db2.gz BLVDOPAKSHMIJY-KKUMJFAQSA-N 2 2 349.479 1.445 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1cccc(F)c1 ZINC000623179570 450436332 /nfs/dbraw/zinc/43/63/32/450436332.db2.gz TYDYLOUTCRPKTH-CWRNSKLLSA-N 2 2 328.391 1.538 20 0 EDADLP CCCCNc1cc(NC[C@H](C(C)C)[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000439099438 446807590 /nfs/dbraw/zinc/80/75/90/446807590.db2.gz SULUVRRDFBXTBI-CQSZACIVSA-N 2 2 336.484 1.461 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000418994035 446852531 /nfs/dbraw/zinc/85/25/31/446852531.db2.gz AYIYBPJNZOECSO-HOTGVXAUSA-N 2 2 346.475 1.263 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000418994035 446852535 /nfs/dbraw/zinc/85/25/35/446852535.db2.gz AYIYBPJNZOECSO-HOTGVXAUSA-N 2 2 346.475 1.263 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CC3(O)CCOCC3)[C@@H](C)C2)s1 ZINC000375514431 446865217 /nfs/dbraw/zinc/86/52/17/446865217.db2.gz NRQKMNKGXKSCKQ-XJKSGUPXSA-N 2 2 339.505 1.793 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CC3(O)CCOCC3)[C@@H](C)C2)s1 ZINC000375514431 446865224 /nfs/dbraw/zinc/86/52/24/446865224.db2.gz NRQKMNKGXKSCKQ-XJKSGUPXSA-N 2 2 339.505 1.793 20 0 EDADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905246 446880309 /nfs/dbraw/zinc/88/03/09/446880309.db2.gz QSNPVQOUXKSYJY-YJBOKZPZSA-N 2 2 331.460 1.605 20 0 EDADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905246 446880316 /nfs/dbraw/zinc/88/03/16/446880316.db2.gz QSNPVQOUXKSYJY-YJBOKZPZSA-N 2 2 331.460 1.605 20 0 EDADLP NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906267 446881519 /nfs/dbraw/zinc/88/15/19/446881519.db2.gz SKNZUGJOIKYORS-SFHVURJKSA-N 2 2 331.460 1.749 20 0 EDADLP NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906267 446881524 /nfs/dbraw/zinc/88/15/24/446881524.db2.gz SKNZUGJOIKYORS-SFHVURJKSA-N 2 2 331.460 1.749 20 0 EDADLP C[NH+]1CCN(C2(C(=O)NCC3CC[NH+](C4CC4)CC3)CCCC2)CC1 ZINC000368475205 446885359 /nfs/dbraw/zinc/88/53/59/446885359.db2.gz RMOYBZQYWLFBCP-UHFFFAOYSA-N 2 2 348.535 1.537 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420933541 446904544 /nfs/dbraw/zinc/90/45/44/446904544.db2.gz GDZSJHNFPDCGEJ-IKGGRYGDSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420933541 446904551 /nfs/dbraw/zinc/90/45/51/446904551.db2.gz GDZSJHNFPDCGEJ-IKGGRYGDSA-N 2 2 346.475 1.069 20 0 EDADLP CC(=O)N[C@H]1CC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420949801 446920484 /nfs/dbraw/zinc/92/04/84/446920484.db2.gz FWJMRPIBCIZMJO-OALUTQOASA-N 2 2 331.460 1.488 20 0 EDADLP CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420949801 446920488 /nfs/dbraw/zinc/92/04/88/446920488.db2.gz FWJMRPIBCIZMJO-OALUTQOASA-N 2 2 331.460 1.488 20 0 EDADLP CC(=O)N[C@H]1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000420949801 446920491 /nfs/dbraw/zinc/92/04/91/446920491.db2.gz FWJMRPIBCIZMJO-OALUTQOASA-N 2 2 331.460 1.488 20 0 EDADLP CC(=O)N[C@H]1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000420949801 446920495 /nfs/dbraw/zinc/92/04/95/446920495.db2.gz FWJMRPIBCIZMJO-OALUTQOASA-N 2 2 331.460 1.488 20 0 EDADLP COc1ncc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000375612744 446924015 /nfs/dbraw/zinc/92/40/15/446924015.db2.gz LIERRXPUEMMHLX-QGZVFWFLSA-N 2 2 333.480 1.396 20 0 EDADLP COc1ncc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000375612744 446924023 /nfs/dbraw/zinc/92/40/23/446924023.db2.gz LIERRXPUEMMHLX-QGZVFWFLSA-N 2 2 333.480 1.396 20 0 EDADLP C[C@H]1C[N@H+](CCO)CCN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959609 446930721 /nfs/dbraw/zinc/93/07/21/446930721.db2.gz FPQSMYYWCZWIPG-KRWDZBQOSA-N 2 2 333.476 1.017 20 0 EDADLP C[C@H]1C[N@@H+](CCO)CCN1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959609 446930726 /nfs/dbraw/zinc/93/07/26/446930726.db2.gz FPQSMYYWCZWIPG-KRWDZBQOSA-N 2 2 333.476 1.017 20 0 EDADLP CC[C@@H](C)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420977354 446949102 /nfs/dbraw/zinc/94/91/02/446949102.db2.gz HVBMZNLQLMEFHL-IAGOWNOFSA-N 2 2 338.540 1.782 20 0 EDADLP CC[C@@H](C)NC(=O)[C@@H](C)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420977354 446949107 /nfs/dbraw/zinc/94/91/07/446949107.db2.gz HVBMZNLQLMEFHL-IAGOWNOFSA-N 2 2 338.540 1.782 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000375655090 446952985 /nfs/dbraw/zinc/95/29/85/446952985.db2.gz LGIRJSSCQOSAFZ-UHFFFAOYSA-N 2 2 327.432 1.781 20 0 EDADLP CC[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1[nH]cc[nH+]1 ZINC000442789475 446967754 /nfs/dbraw/zinc/96/77/54/446967754.db2.gz DLQJLUFWLWHJHJ-AWEZNQCLSA-N 2 2 328.420 1.438 20 0 EDADLP CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000419199652 447006897 /nfs/dbraw/zinc/00/68/97/447006897.db2.gz DMDAMPMANSFFER-CQSZACIVSA-N 2 2 343.431 1.165 20 0 EDADLP C[C@H](C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000368664556 447016557 /nfs/dbraw/zinc/01/65/57/447016557.db2.gz XCCLAUJCYJCSAY-BRWVUGGUSA-N 2 2 347.507 1.716 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000377391587 447107452 /nfs/dbraw/zinc/10/74/52/447107452.db2.gz MHLXFACMUULROB-IAGOWNOFSA-N 2 2 334.464 1.117 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000377391587 447107460 /nfs/dbraw/zinc/10/74/60/447107460.db2.gz MHLXFACMUULROB-IAGOWNOFSA-N 2 2 334.464 1.117 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000377391586 447108495 /nfs/dbraw/zinc/10/84/95/447108495.db2.gz MHLXFACMUULROB-DLBZAZTESA-N 2 2 334.464 1.117 20 0 EDADLP COCCN(C)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000377391586 447108501 /nfs/dbraw/zinc/10/85/01/447108501.db2.gz MHLXFACMUULROB-DLBZAZTESA-N 2 2 334.464 1.117 20 0 EDADLP CC[C@@H]1c2cccn2CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377358300 447087837 /nfs/dbraw/zinc/08/78/37/447087837.db2.gz MVVDBJWXIDBFMI-QGZVFWFLSA-N 2 2 340.475 1.997 20 0 EDADLP CC[C@@H]1c2cccn2CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000377358300 447087844 /nfs/dbraw/zinc/08/78/44/447087844.db2.gz MVVDBJWXIDBFMI-QGZVFWFLSA-N 2 2 340.475 1.997 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C(C)(C)O)C2)CC1 ZINC000368822174 447135427 /nfs/dbraw/zinc/13/54/27/447135427.db2.gz KCFKPDXLUPVLTP-GOEBONIOSA-N 2 2 338.496 1.100 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC[C@@H]3C(C)(C)O)C2)CC1 ZINC000368822174 447135433 /nfs/dbraw/zinc/13/54/33/447135433.db2.gz KCFKPDXLUPVLTP-GOEBONIOSA-N 2 2 338.496 1.100 20 0 EDADLP C[C@@H]1CCCN(c2cc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)nc[nH+]2)C1 ZINC000375905677 447137729 /nfs/dbraw/zinc/13/77/29/447137729.db2.gz NJLLYYBNYWDMHL-ZACQAIPSSA-N 2 2 345.491 1.748 20 0 EDADLP Cc1c(Cl)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)nn1C ZINC000421318070 447129143 /nfs/dbraw/zinc/12/91/43/447129143.db2.gz BQVPDPODLZXYPP-LBPRGKRZSA-N 2 2 328.888 1.907 20 0 EDADLP Cc1c(Cl)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)nn1C ZINC000421318070 447129149 /nfs/dbraw/zinc/12/91/49/447129149.db2.gz BQVPDPODLZXYPP-LBPRGKRZSA-N 2 2 328.888 1.907 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000377537396 447188292 /nfs/dbraw/zinc/18/82/92/447188292.db2.gz JSWFOPJZFXSIKY-CQSZACIVSA-N 2 2 335.452 1.410 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000377537396 447188296 /nfs/dbraw/zinc/18/82/96/447188296.db2.gz JSWFOPJZFXSIKY-CQSZACIVSA-N 2 2 335.452 1.410 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419457703 447190985 /nfs/dbraw/zinc/19/09/85/447190985.db2.gz XJPPRZXQNXKRMD-CQSZACIVSA-N 2 2 349.479 1.050 20 0 EDADLP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000368988629 447250079 /nfs/dbraw/zinc/25/00/79/447250079.db2.gz AVUYNSILGBDXQY-HNNXBMFYSA-N 2 2 339.480 1.345 20 0 EDADLP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000368988629 447250085 /nfs/dbraw/zinc/25/00/85/447250085.db2.gz AVUYNSILGBDXQY-HNNXBMFYSA-N 2 2 339.480 1.345 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000368990002 447250216 /nfs/dbraw/zinc/25/02/16/447250216.db2.gz LOXFJSMBMCUVNZ-UHFFFAOYSA-N 2 2 330.436 1.956 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000377576034 447217301 /nfs/dbraw/zinc/21/73/01/447217301.db2.gz VVERZDCYDSAJPI-KRWDZBQOSA-N 2 2 335.496 1.524 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000377576034 447217308 /nfs/dbraw/zinc/21/73/08/447217308.db2.gz VVERZDCYDSAJPI-KRWDZBQOSA-N 2 2 335.496 1.524 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000377576034 447217316 /nfs/dbraw/zinc/21/73/16/447217316.db2.gz VVERZDCYDSAJPI-KRWDZBQOSA-N 2 2 335.496 1.524 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000455823597 447236716 /nfs/dbraw/zinc/23/67/16/447236716.db2.gz RDFFNBVOJIFGLX-OBJOEFQTSA-N 2 2 345.509 1.857 20 0 EDADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000455823597 447236718 /nfs/dbraw/zinc/23/67/18/447236718.db2.gz RDFFNBVOJIFGLX-OBJOEFQTSA-N 2 2 345.509 1.857 20 0 EDADLP Cc1cccc(N2CCC([NH2+]Cc3c[nH+]c(N(C)C)n3C)CC2)[nH+]1 ZINC000414395722 447294870 /nfs/dbraw/zinc/29/48/70/447294870.db2.gz QYCBJCGBMREUQK-UHFFFAOYSA-N 3 2 328.464 1.948 20 0 EDADLP CN(C)c1ncc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000377634633 447260812 /nfs/dbraw/zinc/26/08/12/447260812.db2.gz XYTXIKHOZSGXPZ-KRWDZBQOSA-N 2 2 332.496 1.143 20 0 EDADLP CN(C)c1ncc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000377634633 447260815 /nfs/dbraw/zinc/26/08/15/447260815.db2.gz XYTXIKHOZSGXPZ-KRWDZBQOSA-N 2 2 332.496 1.143 20 0 EDADLP CN(C)c1ncc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000377634633 447260818 /nfs/dbraw/zinc/26/08/18/447260818.db2.gz XYTXIKHOZSGXPZ-KRWDZBQOSA-N 2 2 332.496 1.143 20 0 EDADLP CN(C)c1ncc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000377634633 447260822 /nfs/dbraw/zinc/26/08/22/447260822.db2.gz XYTXIKHOZSGXPZ-KRWDZBQOSA-N 2 2 332.496 1.143 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCCCC[NH2+]1 ZINC000382419978 447462597 /nfs/dbraw/zinc/46/25/97/447462597.db2.gz BDYBSDQMVNRNIT-QZTJIDSGSA-N 2 2 331.460 1.536 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCCCC[NH2+]1 ZINC000382419978 447462600 /nfs/dbraw/zinc/46/26/00/447462600.db2.gz BDYBSDQMVNRNIT-QZTJIDSGSA-N 2 2 331.460 1.536 20 0 EDADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)C1 ZINC000494849106 447461269 /nfs/dbraw/zinc/46/12/69/447461269.db2.gz DFTOZVMZEMMDGD-UKRRQHHQSA-N 2 2 331.526 1.509 20 0 EDADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)C1 ZINC000494849106 447461276 /nfs/dbraw/zinc/46/12/76/447461276.db2.gz DFTOZVMZEMMDGD-UKRRQHHQSA-N 2 2 331.526 1.509 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C/C=C/c3ccncc3)CC2)C1 ZINC000494960118 447469325 /nfs/dbraw/zinc/46/93/25/447469325.db2.gz RHTIOOPCANNXPV-WUUFJKRQSA-N 2 2 344.503 1.822 20 0 EDADLP Cc1cc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)nc(-c2ccncc2)[nH+]1 ZINC000420159565 447645726 /nfs/dbraw/zinc/64/57/26/447645726.db2.gz IAEYKESIJGHXKB-OAHLLOKOSA-N 2 2 340.431 1.138 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416889279 447703021 /nfs/dbraw/zinc/70/30/21/447703021.db2.gz RDZDBKHGEZVVSK-DOTOQJQBSA-N 2 2 334.464 1.275 20 0 EDADLP CCOC(=O)COCC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451022072 447653004 /nfs/dbraw/zinc/65/30/04/447653004.db2.gz HCCOBPDEKPVWSL-CQSZACIVSA-N 2 2 337.420 1.180 20 0 EDADLP CCOC(=O)COCC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451022072 447653008 /nfs/dbraw/zinc/65/30/08/447653008.db2.gz HCCOBPDEKPVWSL-CQSZACIVSA-N 2 2 337.420 1.180 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000459407430 447654883 /nfs/dbraw/zinc/65/48/83/447654883.db2.gz MBXGGVWTGIOCOQ-HNNXBMFYSA-N 2 2 339.399 1.147 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 ZINC000459407430 447654886 /nfs/dbraw/zinc/65/48/86/447654886.db2.gz MBXGGVWTGIOCOQ-HNNXBMFYSA-N 2 2 339.399 1.147 20 0 EDADLP COc1cc2nc(N(C)CC[C@H]([NH3+])C(C)C)[nH+]c(N)c2cc1OC ZINC000420205753 447670488 /nfs/dbraw/zinc/67/04/88/447670488.db2.gz OAOMOYQGRRZAJF-LBPRGKRZSA-N 2 2 333.436 2.039 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000428306770 447688141 /nfs/dbraw/zinc/68/81/41/447688141.db2.gz QTUARDXNBAWOFH-BBWFWOEESA-N 2 2 346.475 1.354 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000428306770 447688147 /nfs/dbraw/zinc/68/81/47/447688147.db2.gz QTUARDXNBAWOFH-BBWFWOEESA-N 2 2 346.475 1.354 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC(C)(C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000458310922 447766239 /nfs/dbraw/zinc/76/62/39/447766239.db2.gz LKRNRPLTGLEGBN-LSDHHAIUSA-N 2 2 326.485 1.269 20 0 EDADLP COc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(OC)c1OC ZINC000422697170 447718583 /nfs/dbraw/zinc/71/85/83/447718583.db2.gz UDGSHZHRLKDSDI-CVEARBPZSA-N 2 2 336.432 1.569 20 0 EDADLP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422712116 447724390 /nfs/dbraw/zinc/72/43/90/447724390.db2.gz GKCIGFOFUQGFMW-UONOGXRCSA-N 2 2 325.478 1.733 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000422729562 447731233 /nfs/dbraw/zinc/73/12/33/447731233.db2.gz KXXGQLFRNYCSFO-QZTJIDSGSA-N 2 2 331.460 1.534 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000422737205 447733884 /nfs/dbraw/zinc/73/38/84/447733884.db2.gz ZDGDSQYVRIOPFW-OKZBNKHCSA-N 2 2 333.476 1.953 20 0 EDADLP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422746955 447737482 /nfs/dbraw/zinc/73/74/82/447737482.db2.gz XRTOGHDYFGBSLK-UXHICEINSA-N 3 2 347.503 1.526 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000422766761 447744423 /nfs/dbraw/zinc/74/44/23/447744423.db2.gz MIPYAGYFKMWBHJ-LPHOPBHVSA-N 3 2 333.476 1.375 20 0 EDADLP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000422766761 447744426 /nfs/dbraw/zinc/74/44/26/447744426.db2.gz MIPYAGYFKMWBHJ-LPHOPBHVSA-N 2 2 333.476 1.375 20 0 EDADLP COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000422766903 447744470 /nfs/dbraw/zinc/74/44/70/447744470.db2.gz QKEFIOOIYXPTHH-PBHICJAKSA-N 2 2 333.476 1.650 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CCN[C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000422766903 447744473 /nfs/dbraw/zinc/74/44/73/447744473.db2.gz QKEFIOOIYXPTHH-PBHICJAKSA-N 2 2 333.476 1.650 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCN[C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000422766903 447744478 /nfs/dbraw/zinc/74/44/78/447744478.db2.gz QKEFIOOIYXPTHH-PBHICJAKSA-N 2 2 333.476 1.650 20 0 EDADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)Cn1ccnn1 ZINC000459705583 447745177 /nfs/dbraw/zinc/74/51/77/447745177.db2.gz UTJRAJZEKJGBDN-MRXNPFEDSA-N 2 2 349.866 1.547 20 0 EDADLP CC[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)CCOC)cc2)CC1 ZINC000429413537 447747489 /nfs/dbraw/zinc/74/74/89/447747489.db2.gz BJZKRRXMDLOIAX-UHFFFAOYSA-N 2 2 340.489 1.681 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792195 447751638 /nfs/dbraw/zinc/75/16/38/447751638.db2.gz QXSAGPJINUDPNU-QZTJIDSGSA-N 3 2 338.540 1.293 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000458274230 447759082 /nfs/dbraw/zinc/75/90/82/447759082.db2.gz JMKWJHYBSGPWQS-OAHLLOKOSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000458274230 447759083 /nfs/dbraw/zinc/75/90/83/447759083.db2.gz JMKWJHYBSGPWQS-OAHLLOKOSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000458274230 447759086 /nfs/dbraw/zinc/75/90/86/447759086.db2.gz JMKWJHYBSGPWQS-OAHLLOKOSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000458274230 447759087 /nfs/dbraw/zinc/75/90/87/447759087.db2.gz JMKWJHYBSGPWQS-OAHLLOKOSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422824686 447760709 /nfs/dbraw/zinc/76/07/09/447760709.db2.gz HVZURPCKWBTDLX-ROUUACIJSA-N 2 2 346.523 1.499 20 0 EDADLP CC[C@H](NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422824686 447760711 /nfs/dbraw/zinc/76/07/11/447760711.db2.gz HVZURPCKWBTDLX-ROUUACIJSA-N 2 2 346.523 1.499 20 0 EDADLP CC[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422824684 447761021 /nfs/dbraw/zinc/76/10/21/447761021.db2.gz HVZURPCKWBTDLX-MSOLQXFVSA-N 2 2 346.523 1.499 20 0 EDADLP CC[C@@H](NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422824684 447761026 /nfs/dbraw/zinc/76/10/26/447761026.db2.gz HVZURPCKWBTDLX-MSOLQXFVSA-N 2 2 346.523 1.499 20 0 EDADLP CC[C@H](C)[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000451849811 447762239 /nfs/dbraw/zinc/76/22/39/447762239.db2.gz WHSZNGPCFSLOLB-KRWDZBQOSA-N 2 2 348.491 1.340 20 0 EDADLP COC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000452076982 447812075 /nfs/dbraw/zinc/81/20/75/447812075.db2.gz CFXDTDTYFFABOA-KRWDZBQOSA-N 2 2 349.475 1.672 20 0 EDADLP COC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000452076982 447812076 /nfs/dbraw/zinc/81/20/76/447812076.db2.gz CFXDTDTYFFABOA-KRWDZBQOSA-N 2 2 349.475 1.672 20 0 EDADLP [NH3+]CC1CCC([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000422851280 447769346 /nfs/dbraw/zinc/76/93/46/447769346.db2.gz WTIOYQQQOZHQAI-UHFFFAOYSA-N 3 2 345.491 1.227 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000430554473 447777244 /nfs/dbraw/zinc/77/72/44/447777244.db2.gz VIWCXLKNEUYSQB-HUUCEWRRSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000430554473 447777246 /nfs/dbraw/zinc/77/72/46/447777246.db2.gz VIWCXLKNEUYSQB-HUUCEWRRSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000430554469 447777372 /nfs/dbraw/zinc/77/73/72/447777372.db2.gz VIWCXLKNEUYSQB-CABCVRRESA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000430554469 447777375 /nfs/dbraw/zinc/77/73/75/447777375.db2.gz VIWCXLKNEUYSQB-CABCVRRESA-N 2 2 344.459 1.811 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](C)Cc1c(F)cccc1F ZINC000430560272 447778271 /nfs/dbraw/zinc/77/82/71/447778271.db2.gz GKSUSLFRKKMHAF-YVEFUNNKSA-N 2 2 327.419 1.975 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)c1 ZINC000430565350 447780580 /nfs/dbraw/zinc/78/05/80/447780580.db2.gz FLZAZMSOOFUBKH-KPZWWZAWSA-N 2 2 335.448 1.598 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2c[nH+]ccc2N)nc[nH+]1 ZINC000422963046 447782418 /nfs/dbraw/zinc/78/24/18/447782418.db2.gz FGNSYMPKVLMVOR-CHWSQXEVSA-N 3 2 327.436 1.645 20 0 EDADLP c1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(OC2CCOCC2)n1 ZINC000422974212 447785631 /nfs/dbraw/zinc/78/56/31/447785631.db2.gz DLQYGBWUGXDJSS-PKOBYXMFSA-N 2 2 347.459 1.496 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430928990 447788258 /nfs/dbraw/zinc/78/82/58/447788258.db2.gz MLQKONMSVGSJJA-BZUAXINKSA-N 2 2 347.459 1.344 20 0 EDADLP CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430928990 447788262 /nfs/dbraw/zinc/78/82/62/447788262.db2.gz MLQKONMSVGSJJA-BZUAXINKSA-N 2 2 347.459 1.344 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000431019640 447788792 /nfs/dbraw/zinc/78/87/92/447788792.db2.gz RFJKGGHVDAVEMG-MAUKXSAKSA-N 2 2 348.491 1.085 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000431019640 447788795 /nfs/dbraw/zinc/78/87/95/447788795.db2.gz RFJKGGHVDAVEMG-MAUKXSAKSA-N 2 2 348.491 1.085 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H](CC)[C@@H]3CCC[NH2+]3)C2)nc1 ZINC000423036659 447796391 /nfs/dbraw/zinc/79/63/91/447796391.db2.gz UJIQJLBYFBMBDL-HOTGVXAUSA-N 2 2 332.448 1.567 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000487812197 447837050 /nfs/dbraw/zinc/83/70/50/447837050.db2.gz OOZQZBUZBYBYFU-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000487812197 447837051 /nfs/dbraw/zinc/83/70/51/447837051.db2.gz OOZQZBUZBYBYFU-HOTGVXAUSA-N 2 2 338.496 1.223 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000569676489 447863882 /nfs/dbraw/zinc/86/38/82/447863882.db2.gz NGAOMABTUOZOGY-UHFFFAOYSA-N 2 2 329.448 1.659 20 0 EDADLP COC(=O)N1CCN(c2ccc(NC3CCC(C[NH3+])CC3)c[nH+]2)CC1 ZINC000497108987 447861028 /nfs/dbraw/zinc/86/10/28/447861028.db2.gz BVXPVGALYJFWQC-UHFFFAOYSA-N 2 2 347.463 1.899 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000569694957 447869210 /nfs/dbraw/zinc/86/92/10/447869210.db2.gz VONDDRGUGCQYAI-FZMZJTMJSA-N 2 2 333.823 1.881 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[NH+]2CCOCC2)cc1 ZINC000523649183 447895444 /nfs/dbraw/zinc/89/54/44/447895444.db2.gz YINAGVJEXCNROO-ZWKOTPCHSA-N 2 2 331.460 1.436 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[NH+]2CCOCC2)cc1 ZINC000523649183 447895448 /nfs/dbraw/zinc/89/54/48/447895448.db2.gz YINAGVJEXCNROO-ZWKOTPCHSA-N 2 2 331.460 1.436 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000523666813 447897671 /nfs/dbraw/zinc/89/76/71/447897671.db2.gz YGFJRMXAWLQVSG-DOTOQJQBSA-N 2 2 327.432 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447919704 /nfs/dbraw/zinc/91/97/04/447919704.db2.gz STTFLGBQDYSBAT-JKSUJKDBSA-N 2 2 348.495 1.357 20 0 EDADLP C[C@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000524174869 447919706 /nfs/dbraw/zinc/91/97/06/447919706.db2.gz STTFLGBQDYSBAT-JKSUJKDBSA-N 2 2 348.495 1.357 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000570289821 447979413 /nfs/dbraw/zinc/97/94/13/447979413.db2.gz RPIBSLMXGSMPJW-CQSZACIVSA-N 2 2 328.403 1.873 20 0 EDADLP Cc1cc(NC(=O)NCCn2cc[nH+]c2)n(C2CC[NH+](C)CC2)n1 ZINC000530950301 447990783 /nfs/dbraw/zinc/99/07/83/447990783.db2.gz QCABICLTBNGWTN-UHFFFAOYSA-N 2 2 331.424 1.476 20 0 EDADLP C[NH+](C)[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1ccco1 ZINC000496887992 448003981 /nfs/dbraw/zinc/00/39/81/448003981.db2.gz ZEYVVYQEYJPQAQ-GFCCVEGCSA-N 2 2 339.440 1.521 20 0 EDADLP CC[C@]1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])OCCc2ccccc21 ZINC000570428391 448012150 /nfs/dbraw/zinc/01/21/50/448012150.db2.gz XBVDLXKLUCEHJQ-VQIMIIECSA-N 2 2 346.475 1.149 20 0 EDADLP CC[C@]1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])OCCc2ccccc21 ZINC000570428391 448012156 /nfs/dbraw/zinc/01/21/56/448012156.db2.gz XBVDLXKLUCEHJQ-VQIMIIECSA-N 2 2 346.475 1.149 20 0 EDADLP CC1(C)C[NH+](CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000552973454 447966172 /nfs/dbraw/zinc/96/61/72/447966172.db2.gz ZGCULCNMCFFVAT-UHFFFAOYSA-N 2 2 344.503 1.657 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000570264274 447971615 /nfs/dbraw/zinc/97/16/15/447971615.db2.gz DBNILFJESMERTL-WBVHZDCISA-N 2 2 328.416 1.653 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000570264274 447971621 /nfs/dbraw/zinc/97/16/21/447971621.db2.gz DBNILFJESMERTL-WBVHZDCISA-N 2 2 328.416 1.653 20 0 EDADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496856987 447974390 /nfs/dbraw/zinc/97/43/90/447974390.db2.gz LMGCHYIYUOWJMJ-YOEHRIQHSA-N 2 2 329.485 1.678 20 0 EDADLP CCOC(=O)N[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)CC(C)C 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CWIOHASPKZSCKR-CGTJXYLNSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000500414479 448088428 /nfs/dbraw/zinc/08/84/28/448088428.db2.gz CWIOHASPKZSCKR-CGTJXYLNSA-N 2 2 347.507 1.744 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C ZINC000556702068 448136351 /nfs/dbraw/zinc/13/63/51/448136351.db2.gz YQBILNZUALLNFA-YOKBYHGQSA-N 2 2 331.464 1.012 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1nccn1C ZINC000556702068 448136354 /nfs/dbraw/zinc/13/63/54/448136354.db2.gz YQBILNZUALLNFA-YOKBYHGQSA-N 2 2 331.464 1.012 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000514672615 448183916 /nfs/dbraw/zinc/18/39/16/448183916.db2.gz VXBMYXVSACDSQC-AEFFLSMTSA-N 2 2 335.423 1.047 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000514672615 448183920 /nfs/dbraw/zinc/18/39/20/448183920.db2.gz VXBMYXVSACDSQC-AEFFLSMTSA-N 2 2 335.423 1.047 20 0 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CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100743 448199237 /nfs/dbraw/zinc/19/92/37/448199237.db2.gz RSLUAILNSIVNSS-MAUKXSAKSA-N 2 2 341.496 1.632 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100743 448199241 /nfs/dbraw/zinc/19/92/41/448199241.db2.gz RSLUAILNSIVNSS-MAUKXSAKSA-N 2 2 341.496 1.632 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000577076104 448206487 /nfs/dbraw/zinc/20/64/87/448206487.db2.gz MVUGCWKWLNNAPF-KBXCAEBGSA-N 2 2 342.443 1.124 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000577076104 448206490 /nfs/dbraw/zinc/20/64/90/448206490.db2.gz MVUGCWKWLNNAPF-KBXCAEBGSA-N 2 2 342.443 1.124 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000577076104 448206495 /nfs/dbraw/zinc/20/64/95/448206495.db2.gz MVUGCWKWLNNAPF-KBXCAEBGSA-N 2 2 342.443 1.124 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000577076104 448206500 /nfs/dbraw/zinc/20/65/00/448206500.db2.gz MVUGCWKWLNNAPF-KBXCAEBGSA-N 2 2 342.443 1.124 20 0 EDADLP C[C@H]([C@H](C)NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[NH+]1CCOCC1 ZINC000514588880 448167018 /nfs/dbraw/zinc/16/70/18/448167018.db2.gz DBYUBMUZNFIPIC-GUTXKFCHSA-N 2 2 347.463 1.128 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514940288 448228612 /nfs/dbraw/zinc/22/86/12/448228612.db2.gz RXGCYARXUTUIDY-BEFAXECRSA-N 2 2 331.460 1.775 20 0 EDADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514940288 448228618 /nfs/dbraw/zinc/22/86/18/448228618.db2.gz RXGCYARXUTUIDY-BEFAXECRSA-N 2 2 331.460 1.775 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2csc3ccccc23)[C@H](C[NH3+])C1 ZINC000515003645 448238727 /nfs/dbraw/zinc/23/87/27/448238727.db2.gz CCAQPIZRQSJTKK-CQSZACIVSA-N 2 2 332.473 1.728 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2csc3ccccc23)[C@H](C[NH3+])C1 ZINC000515003645 448238731 /nfs/dbraw/zinc/23/87/31/448238731.db2.gz CCAQPIZRQSJTKK-CQSZACIVSA-N 2 2 332.473 1.728 20 0 EDADLP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000532215366 448216702 /nfs/dbraw/zinc/21/67/02/448216702.db2.gz XAGBOLZRERVFKJ-ZHALLVOQSA-N 2 2 332.492 1.602 20 0 EDADLP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCO1 ZINC000532215366 448216705 /nfs/dbraw/zinc/21/67/05/448216705.db2.gz XAGBOLZRERVFKJ-ZHALLVOQSA-N 2 2 332.492 1.602 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000532230841 448218361 /nfs/dbraw/zinc/21/83/61/448218361.db2.gz IMTBNLAHINXRDJ-WMZOPIPTSA-N 3 2 332.492 1.338 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000532230841 448218366 /nfs/dbraw/zinc/21/83/66/448218366.db2.gz IMTBNLAHINXRDJ-WMZOPIPTSA-N 3 2 332.492 1.338 20 0 EDADLP O[C@H](C[NH2+]Cc1ccccc1-n1cc[nH+]c1)COC1CCOCC1 ZINC000582482117 448250449 /nfs/dbraw/zinc/25/04/49/448250449.db2.gz UOMXQABUUOFXTB-MRXNPFEDSA-N 2 2 331.416 1.518 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCC1CC[NH2+]CC1 ZINC000515143254 448264570 /nfs/dbraw/zinc/26/45/70/448264570.db2.gz VULPDLMSRPNKCG-UHFFFAOYSA-N 2 2 331.395 1.810 20 0 EDADLP CN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532799269 448317773 /nfs/dbraw/zinc/31/77/73/448317773.db2.gz YCPXUCVGHANXRC-GDBMZVCRSA-N 2 2 329.448 1.538 20 0 EDADLP CN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000532799269 448317779 /nfs/dbraw/zinc/31/77/79/448317779.db2.gz YCPXUCVGHANXRC-GDBMZVCRSA-N 2 2 329.448 1.538 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000582721231 448320576 /nfs/dbraw/zinc/32/05/76/448320576.db2.gz XTWZPPWUTIWDRI-MRXNPFEDSA-N 2 2 348.447 1.162 20 0 EDADLP CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)C2)ncn1 ZINC000572392097 448367062 /nfs/dbraw/zinc/36/70/62/448367062.db2.gz KYKSGUDXJFYPPD-BHYGNILZSA-N 2 2 333.480 1.364 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)C1CC1 ZINC000572393334 448367541 /nfs/dbraw/zinc/36/75/41/448367541.db2.gz FWDHGKXVCVPJNZ-DOMZBBRYSA-N 2 2 339.386 1.115 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)C1CC1 ZINC000572393334 448367543 /nfs/dbraw/zinc/36/75/43/448367543.db2.gz FWDHGKXVCVPJNZ-DOMZBBRYSA-N 2 2 339.386 1.115 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000572263143 448331686 /nfs/dbraw/zinc/33/16/86/448331686.db2.gz IDDXRFNROWDGRU-RDJZCZTQSA-N 2 2 339.443 1.806 20 0 EDADLP Cc1cccc(OC[C@H](C)[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000515637456 448336963 /nfs/dbraw/zinc/33/69/63/448336963.db2.gz OGCOZHVNEPPYRD-FJIDUMEYSA-N 2 2 336.476 1.822 20 0 EDADLP Cc1cccc(OC[C@H](C)[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000515637456 448336965 /nfs/dbraw/zinc/33/69/65/448336965.db2.gz OGCOZHVNEPPYRD-FJIDUMEYSA-N 2 2 336.476 1.822 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000577817445 448390801 /nfs/dbraw/zinc/39/08/01/448390801.db2.gz DLFUSEJAZWLMMP-CHWSQXEVSA-N 2 2 334.386 1.851 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000577817445 448390803 /nfs/dbraw/zinc/39/08/03/448390803.db2.gz DLFUSEJAZWLMMP-CHWSQXEVSA-N 2 2 334.386 1.851 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000577817445 448390807 /nfs/dbraw/zinc/39/08/07/448390807.db2.gz DLFUSEJAZWLMMP-CHWSQXEVSA-N 2 2 334.386 1.851 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000577817445 448390809 /nfs/dbraw/zinc/39/08/09/448390809.db2.gz DLFUSEJAZWLMMP-CHWSQXEVSA-N 2 2 334.386 1.851 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000591560372 448391558 /nfs/dbraw/zinc/39/15/58/448391558.db2.gz CLWJNBISLHZAJJ-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000591560372 448391561 /nfs/dbraw/zinc/39/15/61/448391561.db2.gz CLWJNBISLHZAJJ-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000591560372 448391564 /nfs/dbraw/zinc/39/15/64/448391564.db2.gz CLWJNBISLHZAJJ-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000591560372 448391568 /nfs/dbraw/zinc/39/15/68/448391568.db2.gz CLWJNBISLHZAJJ-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCC[NH+]1Cc2ccccc2C1)[NH+]1CCOCC1 ZINC000591578658 448394757 /nfs/dbraw/zinc/39/47/57/448394757.db2.gz RVLISEHGSIWNOO-JKSUJKDBSA-N 2 2 346.475 1.411 20 0 EDADLP O=C(C[NH+]1CCC2(CC[NH2+]2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000572510517 448397423 /nfs/dbraw/zinc/39/74/23/448397423.db2.gz WWQKXMGADMQTMJ-UHFFFAOYSA-N 2 2 338.455 1.881 20 0 EDADLP CCN1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000516254508 448404013 /nfs/dbraw/zinc/40/40/13/448404013.db2.gz WJSSJPOUBVKJKY-CVEARBPZSA-N 2 2 348.495 1.530 20 0 EDADLP CCN1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000516254508 448404017 /nfs/dbraw/zinc/40/40/17/448404017.db2.gz WJSSJPOUBVKJKY-CVEARBPZSA-N 2 2 348.495 1.530 20 0 EDADLP C[C@@H](C(=O)NCC1CC[NH2+]CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000566202788 448413964 /nfs/dbraw/zinc/41/39/64/448413964.db2.gz GCQDDSFVKQCZPF-HNNXBMFYSA-N 2 2 348.466 1.452 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)CC2 ZINC000516479419 448426494 /nfs/dbraw/zinc/42/64/94/448426494.db2.gz LEHKXAXWKNVLSF-HNNXBMFYSA-N 2 2 334.464 1.323 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)CC2 ZINC000516479419 448426503 /nfs/dbraw/zinc/42/65/03/448426503.db2.gz LEHKXAXWKNVLSF-HNNXBMFYSA-N 2 2 334.464 1.323 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)CC2 ZINC000516479423 448426840 /nfs/dbraw/zinc/42/68/40/448426840.db2.gz LEHKXAXWKNVLSF-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)CC2 ZINC000516479423 448426849 /nfs/dbraw/zinc/42/68/49/448426849.db2.gz LEHKXAXWKNVLSF-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCN(C)CC1 ZINC000578024235 448443641 /nfs/dbraw/zinc/44/36/41/448443641.db2.gz RHQDGNVETHUMRW-PKOBYXMFSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCN(C)CC1 ZINC000578024235 448443646 /nfs/dbraw/zinc/44/36/46/448443646.db2.gz RHQDGNVETHUMRW-PKOBYXMFSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@H]1C[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccccc2)CCCO1 ZINC000572752897 448457681 /nfs/dbraw/zinc/45/76/81/448457681.db2.gz MVFHOBYAVGEUQL-INIZCTEOSA-N 2 2 340.489 1.551 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2ccccc2)CCCO1 ZINC000572752897 448457689 /nfs/dbraw/zinc/45/76/89/448457689.db2.gz MVFHOBYAVGEUQL-INIZCTEOSA-N 2 2 340.489 1.551 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000572777235 448462207 /nfs/dbraw/zinc/46/22/07/448462207.db2.gz OHOLBHRYQWSNHU-UHFFFAOYSA-N 2 2 331.794 1.798 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000572777235 448462211 /nfs/dbraw/zinc/46/22/11/448462211.db2.gz OHOLBHRYQWSNHU-UHFFFAOYSA-N 2 2 331.794 1.798 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000572852940 448480704 /nfs/dbraw/zinc/48/07/04/448480704.db2.gz SFABLJULGIZSMB-CYBMUJFWSA-N 2 2 331.395 1.548 20 0 EDADLP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000528349341 448495448 /nfs/dbraw/zinc/49/54/48/448495448.db2.gz GWPWAKSVOTXLGW-KRWDZBQOSA-N 2 2 337.439 1.089 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591867018 448511019 /nfs/dbraw/zinc/51/10/19/448511019.db2.gz LUSRIFYQSMOMOV-MRXNPFEDSA-N 2 2 341.415 1.648 20 0 EDADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000591867018 448511023 /nfs/dbraw/zinc/51/10/23/448511023.db2.gz LUSRIFYQSMOMOV-MRXNPFEDSA-N 2 2 341.415 1.648 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578334030 448520614 /nfs/dbraw/zinc/52/06/14/448520614.db2.gz OIWFHRZFKBMXPX-JZXOWHBKSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578334030 448520620 /nfs/dbraw/zinc/52/06/20/448520620.db2.gz OIWFHRZFKBMXPX-JZXOWHBKSA-N 2 2 346.475 1.279 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000584429869 448524001 /nfs/dbraw/zinc/52/40/01/448524001.db2.gz CJHJLYHHTQMYFX-GFCCVEGCSA-N 2 2 330.436 1.201 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C ZINC000584429869 448524003 /nfs/dbraw/zinc/52/40/03/448524003.db2.gz CJHJLYHHTQMYFX-GFCCVEGCSA-N 2 2 330.436 1.201 20 0 EDADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1ccc(F)cc1 ZINC000566792405 448559896 /nfs/dbraw/zinc/55/98/96/448559896.db2.gz WKNOZKWJYURTHP-INIZCTEOSA-N 2 2 333.407 1.931 20 0 EDADLP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000578506818 448564470 /nfs/dbraw/zinc/56/44/70/448564470.db2.gz LCZNULBAYYYFKK-ZWKOTPCHSA-N 2 2 343.475 1.297 20 0 EDADLP CS[C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1[NH+](C)C ZINC000537924820 448573435 /nfs/dbraw/zinc/57/34/35/448573435.db2.gz RDVDNLPPZYXOFF-GJZGRUSLSA-N 2 2 332.473 1.689 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2(CCO)CCCCC2)C[C@H](C)O1 ZINC000584470002 448538826 /nfs/dbraw/zinc/53/88/26/448538826.db2.gz HGCWDXWEGPSBDJ-BBWFWOEESA-N 2 2 328.497 1.379 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2(CCO)CCCCC2)C[C@H](C)O1 ZINC000584470002 448538831 /nfs/dbraw/zinc/53/88/31/448538831.db2.gz HGCWDXWEGPSBDJ-BBWFWOEESA-N 2 2 328.497 1.379 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000573092659 448540939 /nfs/dbraw/zinc/54/09/39/448540939.db2.gz VUNOKOOVZMKRFQ-SFHVURJKSA-N 2 2 344.459 1.106 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000573092659 448540945 /nfs/dbraw/zinc/54/09/45/448540945.db2.gz VUNOKOOVZMKRFQ-SFHVURJKSA-N 2 2 344.459 1.106 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)nn1 ZINC000578693525 448610994 /nfs/dbraw/zinc/61/09/94/448610994.db2.gz ISVXCLLUXVFCPW-INIZCTEOSA-N 2 2 348.520 1.999 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1C ZINC000573430057 448623731 /nfs/dbraw/zinc/62/37/31/448623731.db2.gz ZRYATIHZMRUVRQ-SMDDNHRTSA-N 2 2 343.431 1.419 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)ccc2n1C ZINC000573430057 448623737 /nfs/dbraw/zinc/62/37/37/448623737.db2.gz ZRYATIHZMRUVRQ-SMDDNHRTSA-N 2 2 343.431 1.419 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000584769461 448624253 /nfs/dbraw/zinc/62/42/53/448624253.db2.gz NVELXFADMXQRQH-HOCLYGCPSA-N 2 2 331.464 1.679 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000517424456 448582542 /nfs/dbraw/zinc/58/25/42/448582542.db2.gz PMDKGMOAFSHUNS-XHSDSOJGSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000517424456 448582545 /nfs/dbraw/zinc/58/25/45/448582545.db2.gz PMDKGMOAFSHUNS-XHSDSOJGSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000517424456 448582554 /nfs/dbraw/zinc/58/25/54/448582554.db2.gz PMDKGMOAFSHUNS-XHSDSOJGSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000517424456 448582557 /nfs/dbraw/zinc/58/25/57/448582557.db2.gz PMDKGMOAFSHUNS-XHSDSOJGSA-N 2 2 326.485 1.269 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000517561833 448593346 /nfs/dbraw/zinc/59/33/46/448593346.db2.gz GHPQYCIMBWYLQS-CQSZACIVSA-N 2 2 337.387 1.468 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CCNC(=O)NC(C)C)CC2)CC1 ZINC000573320685 448598279 /nfs/dbraw/zinc/59/82/79/448598279.db2.gz FQUVAFCQGIMRRR-UHFFFAOYSA-N 2 2 339.528 1.186 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CCNC(=O)NC(C)C)CC2)CC1 ZINC000573320685 448598287 /nfs/dbraw/zinc/59/82/87/448598287.db2.gz FQUVAFCQGIMRRR-UHFFFAOYSA-N 2 2 339.528 1.186 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762939 448666731 /nfs/dbraw/zinc/66/67/31/448666731.db2.gz PLXKQZVWSOUJDW-MRXNPFEDSA-N 2 2 330.476 1.991 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762939 448666733 /nfs/dbraw/zinc/66/67/33/448666733.db2.gz PLXKQZVWSOUJDW-MRXNPFEDSA-N 2 2 330.476 1.991 20 0 EDADLP COc1ccc(COC[C@H](O)C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000567345564 448669807 /nfs/dbraw/zinc/66/98/07/448669807.db2.gz LXIIVICPAWIQJW-YJLNNSPDSA-N 2 2 334.460 1.645 20 0 EDADLP COc1ccc(COC[C@H](O)C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000567345564 448669809 /nfs/dbraw/zinc/66/98/09/448669809.db2.gz LXIIVICPAWIQJW-YJLNNSPDSA-N 2 2 334.460 1.645 20 0 EDADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)sc1Br ZINC000578766792 448632998 /nfs/dbraw/zinc/63/29/98/448632998.db2.gz HMQFFPZXUOHEND-ONGXEEELSA-N 2 2 344.278 1.563 20 0 EDADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)sc1Br ZINC000578766792 448632999 /nfs/dbraw/zinc/63/29/99/448632999.db2.gz HMQFFPZXUOHEND-ONGXEEELSA-N 2 2 344.278 1.563 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000592160550 448717069 /nfs/dbraw/zinc/71/70/69/448717069.db2.gz UCMSESHPDIBVLI-OAHLLOKOSA-N 2 2 326.481 1.885 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000592160550 448717078 /nfs/dbraw/zinc/71/70/78/448717078.db2.gz UCMSESHPDIBVLI-OAHLLOKOSA-N 2 2 326.481 1.885 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000573979967 448762544 /nfs/dbraw/zinc/76/25/44/448762544.db2.gz VPAGMCBXEOCARS-AWEZNQCLSA-N 2 2 341.415 1.337 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000573979967 448762550 /nfs/dbraw/zinc/76/25/50/448762550.db2.gz VPAGMCBXEOCARS-AWEZNQCLSA-N 2 2 341.415 1.337 20 0 EDADLP Cc1nc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000519055352 448736427 /nfs/dbraw/zinc/73/64/27/448736427.db2.gz RVWZIBDYYWAWDJ-MRXNPFEDSA-N 2 2 326.448 2.323 20 0 EDADLP Cc1nc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000519055352 448736431 /nfs/dbraw/zinc/73/64/31/448736431.db2.gz RVWZIBDYYWAWDJ-MRXNPFEDSA-N 2 2 326.448 2.323 20 0 EDADLP COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579216005 448741808 /nfs/dbraw/zinc/74/18/08/448741808.db2.gz ZISIOTFREWCEKC-JKSUJKDBSA-N 2 2 346.475 1.399 20 0 EDADLP COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579216005 448741809 /nfs/dbraw/zinc/74/18/09/448741809.db2.gz ZISIOTFREWCEKC-JKSUJKDBSA-N 2 2 346.475 1.399 20 0 EDADLP CC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000519294714 448756548 /nfs/dbraw/zinc/75/65/48/448756548.db2.gz YCJGJXCSLVZUQS-HNNXBMFYSA-N 2 2 334.445 1.304 20 0 EDADLP CC[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000519294714 448756551 /nfs/dbraw/zinc/75/65/51/448756551.db2.gz YCJGJXCSLVZUQS-HNNXBMFYSA-N 2 2 334.445 1.304 20 0 EDADLP CC1CC[NH+](CCNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000519344407 448760442 /nfs/dbraw/zinc/76/04/42/448760442.db2.gz ISLREUNGUPZLSV-UHFFFAOYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000568051335 448807532 /nfs/dbraw/zinc/80/75/32/448807532.db2.gz DGMMSYSVVZSZEN-IBGZPJMESA-N 2 2 333.476 1.124 20 0 EDADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000568051335 448807534 /nfs/dbraw/zinc/80/75/34/448807534.db2.gz DGMMSYSVVZSZEN-IBGZPJMESA-N 2 2 333.476 1.124 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000545256907 448782710 /nfs/dbraw/zinc/78/27/10/448782710.db2.gz GCGUFHCGHPTHLG-KRWDZBQOSA-N 2 2 345.491 1.952 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000545256907 448782714 /nfs/dbraw/zinc/78/27/14/448782714.db2.gz GCGUFHCGHPTHLG-KRWDZBQOSA-N 2 2 345.491 1.952 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cn3c(n2)CCC3)([NH+]2CCCCC2)CC1 ZINC000567923029 448783883 /nfs/dbraw/zinc/78/38/83/448783883.db2.gz XZPOLDPNYSXPSU-UHFFFAOYSA-N 2 2 345.491 1.509 20 0 EDADLP C[C@@H]1CN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cn2)CCO1 ZINC000519698134 448821495 /nfs/dbraw/zinc/82/14/95/448821495.db2.gz KASGJXROCIZSCU-LSBZLQRGSA-N 2 2 346.475 1.163 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000586866665 448829861 /nfs/dbraw/zinc/82/98/61/448829861.db2.gz BVGLBXRQGWKBPA-UHFFFAOYSA-N 2 2 346.475 1.412 20 0 EDADLP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000568176255 448830755 /nfs/dbraw/zinc/83/07/55/448830755.db2.gz VGPNASXRRLCQCI-IRXDYDNUSA-N 2 2 339.524 1.991 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000568175966 448831135 /nfs/dbraw/zinc/83/11/35/448831135.db2.gz MWUAMBABMCMEFU-OAHLLOKOSA-N 2 2 340.439 1.390 20 0 EDADLP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000529387847 448853110 /nfs/dbraw/zinc/85/31/10/448853110.db2.gz QBARDCJQVIKCMI-CABCVRRESA-N 2 2 329.404 1.129 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOc2ncccc2Cl)C[C@H](C)O1 ZINC000579824417 448885772 /nfs/dbraw/zinc/88/57/72/448885772.db2.gz HGWDWQXIBPUMKI-MJBXVCDLSA-N 2 2 343.855 1.174 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOc2ncccc2Cl)C[C@H](C)O1 ZINC000579824417 448885776 /nfs/dbraw/zinc/88/57/76/448885776.db2.gz HGWDWQXIBPUMKI-MJBXVCDLSA-N 2 2 343.855 1.174 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC[C@H]1[NH3+] ZINC000592488797 448859614 /nfs/dbraw/zinc/85/96/14/448859614.db2.gz OFMVBEUPZWESMY-WCQYABFASA-N 2 2 348.403 1.123 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC[C@H]1[NH3+] ZINC000592488797 448859616 /nfs/dbraw/zinc/85/96/16/448859616.db2.gz OFMVBEUPZWESMY-WCQYABFASA-N 2 2 348.403 1.123 20 0 EDADLP CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000520578100 448911954 /nfs/dbraw/zinc/91/19/54/448911954.db2.gz TXBBGPHYXOOTEA-WMLDXEAASA-N 2 2 331.460 1.730 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000588687896 448914670 /nfs/dbraw/zinc/91/46/70/448914670.db2.gz GZYSIKBUZWAAOK-QZTJIDSGSA-N 2 2 342.439 1.909 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000588687896 448914675 /nfs/dbraw/zinc/91/46/75/448914675.db2.gz GZYSIKBUZWAAOK-QZTJIDSGSA-N 2 2 342.439 1.909 20 0 EDADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547738289 448923980 /nfs/dbraw/zinc/92/39/80/448923980.db2.gz YAMHXSROHAQEKB-HNNXBMFYSA-N 2 2 336.436 1.265 20 0 EDADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547738289 448923983 /nfs/dbraw/zinc/92/39/83/448923983.db2.gz YAMHXSROHAQEKB-HNNXBMFYSA-N 2 2 336.436 1.265 20 0 EDADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547738289 448923986 /nfs/dbraw/zinc/92/39/86/448923986.db2.gz YAMHXSROHAQEKB-HNNXBMFYSA-N 2 2 336.436 1.265 20 0 EDADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547738289 448923989 /nfs/dbraw/zinc/92/39/89/448923989.db2.gz YAMHXSROHAQEKB-HNNXBMFYSA-N 2 2 336.436 1.265 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000521225627 448965437 /nfs/dbraw/zinc/96/54/37/448965437.db2.gz LWTZTGIBSOQBSN-FUHWJXTLSA-N 3 2 330.476 1.061 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000521225627 448965442 /nfs/dbraw/zinc/96/54/42/448965442.db2.gz LWTZTGIBSOQBSN-FUHWJXTLSA-N 3 2 330.476 1.061 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO)CCC2 ZINC000574967559 449000194 /nfs/dbraw/zinc/00/01/94/449000194.db2.gz QIXXZWQHGFKTSA-CVEARBPZSA-N 2 2 349.479 1.215 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+](CC)CCC(F)(F)F ZINC000521978524 449034814 /nfs/dbraw/zinc/03/48/14/449034814.db2.gz RTYXSMWNTRUKKH-ZDUSSCGKSA-N 2 2 338.418 1.996 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+](CC)CCC(F)(F)F ZINC000521978524 449034822 /nfs/dbraw/zinc/03/48/22/449034822.db2.gz RTYXSMWNTRUKKH-ZDUSSCGKSA-N 2 2 338.418 1.996 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000521978524 449034827 /nfs/dbraw/zinc/03/48/27/449034827.db2.gz RTYXSMWNTRUKKH-ZDUSSCGKSA-N 2 2 338.418 1.996 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000521978524 449034834 /nfs/dbraw/zinc/03/48/34/449034834.db2.gz RTYXSMWNTRUKKH-ZDUSSCGKSA-N 2 2 338.418 1.996 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC[C@H]1Cc2ccccc2O1 ZINC000569337162 449005624 /nfs/dbraw/zinc/00/56/24/449005624.db2.gz GSYUMTCLQSZJBM-KZNAEPCWSA-N 2 2 343.471 1.570 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC[C@H]1Cc2ccccc2O1 ZINC000569337162 449005629 /nfs/dbraw/zinc/00/56/29/449005629.db2.gz GSYUMTCLQSZJBM-KZNAEPCWSA-N 2 2 343.471 1.570 20 0 EDADLP O=C1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C2(CCC2)N1 ZINC000521645682 449005983 /nfs/dbraw/zinc/00/59/83/449005983.db2.gz NSQJANFLWCYPIB-MSOLQXFVSA-N 2 2 343.471 1.197 20 0 EDADLP O=C1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C2(CCC2)N1 ZINC000521645682 449005986 /nfs/dbraw/zinc/00/59/86/449005986.db2.gz NSQJANFLWCYPIB-MSOLQXFVSA-N 2 2 343.471 1.197 20 0 EDADLP C[C@H](CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000521869461 449021442 /nfs/dbraw/zinc/02/14/42/449021442.db2.gz BSSSZEQACXTEJW-HZPDHXFCSA-N 2 2 333.480 1.090 20 0 EDADLP CCN1CCN(C(=O)NCC2([NH+](C)C)CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548343055 449026681 /nfs/dbraw/zinc/02/66/81/449026681.db2.gz NWTGAMFCJSYVJU-OAHLLOKOSA-N 2 2 348.495 1.672 20 0 EDADLP C[C@@H]1CN(c2ccc(N[C@H](C3CC3)[C@H]3C[NH2+]CCO3)c[nH+]2)C[C@H](C)O1 ZINC000582175619 449029288 /nfs/dbraw/zinc/02/92/88/449029288.db2.gz QKCIHQKQDGGMSR-QOIYZWAUSA-N 2 2 346.475 1.874 20 0 EDADLP Cc1c[nH+]c(C)nc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000582032932 448992953 /nfs/dbraw/zinc/99/29/53/448992953.db2.gz IOSZUGKVHDPGFO-UHFFFAOYSA-N 2 2 325.460 2.323 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000575366243 449085954 /nfs/dbraw/zinc/08/59/54/449085954.db2.gz XHKUQLNMXLEJES-KRWDZBQOSA-N 2 2 344.484 1.696 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000575366243 449085956 /nfs/dbraw/zinc/08/59/56/449085956.db2.gz XHKUQLNMXLEJES-KRWDZBQOSA-N 2 2 344.484 1.696 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)nc[nH+]1 ZINC000569570307 449045874 /nfs/dbraw/zinc/04/58/74/449045874.db2.gz SZRBXRPWJCSVIF-NVXWUHKLSA-N 2 2 341.459 1.632 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)nc[nH+]1 ZINC000569570307 449045881 /nfs/dbraw/zinc/04/58/81/449045881.db2.gz SZRBXRPWJCSVIF-NVXWUHKLSA-N 2 2 341.459 1.632 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000575156001 449050568 /nfs/dbraw/zinc/05/05/68/449050568.db2.gz YHZALOYQADUYBW-ZBFHGGJFSA-N 2 2 331.464 1.869 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530220746 449086718 /nfs/dbraw/zinc/08/67/18/449086718.db2.gz AQTURDPXMMIWCA-SJORKVTESA-N 2 2 338.496 1.225 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)on1 ZINC000530239950 449090752 /nfs/dbraw/zinc/09/07/52/449090752.db2.gz JEXZTNKNRQTWKF-DZGCQCFKSA-N 2 2 336.436 1.401 20 0 EDADLP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000593051861 449115578 /nfs/dbraw/zinc/11/55/78/449115578.db2.gz PVTCTXSXBCFTCW-HUUCEWRRSA-N 2 2 339.480 1.345 20 0 EDADLP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000593051861 449115580 /nfs/dbraw/zinc/11/55/80/449115580.db2.gz PVTCTXSXBCFTCW-HUUCEWRRSA-N 2 2 339.480 1.345 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604106277 449178043 /nfs/dbraw/zinc/17/80/43/449178043.db2.gz HDEGAPDPXIRKKY-NVXWUHKLSA-N 2 2 331.464 1.564 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604106277 449178050 /nfs/dbraw/zinc/17/80/50/449178050.db2.gz HDEGAPDPXIRKKY-NVXWUHKLSA-N 2 2 331.464 1.564 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000604295705 449202270 /nfs/dbraw/zinc/20/22/70/449202270.db2.gz BTIRICNAFWUROG-DLBZAZTESA-N 2 2 336.480 1.917 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000604295705 449202274 /nfs/dbraw/zinc/20/22/74/449202274.db2.gz BTIRICNAFWUROG-DLBZAZTESA-N 2 2 336.480 1.917 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)on1 ZINC000590594102 449210190 /nfs/dbraw/zinc/21/01/90/449210190.db2.gz MSIBFAQPHJWPPQ-ZDUSSCGKSA-N 2 2 337.420 1.442 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)C1 ZINC000604379293 449220114 /nfs/dbraw/zinc/22/01/14/449220114.db2.gz KQNIMBXEASKJGA-INIZCTEOSA-N 2 2 330.480 1.293 20 0 EDADLP C[N@H+]1CCC[C@H](N2CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)C1 ZINC000604379293 449220118 /nfs/dbraw/zinc/22/01/18/449220118.db2.gz KQNIMBXEASKJGA-INIZCTEOSA-N 2 2 330.480 1.293 20 0 EDADLP CCC[C@@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207708 449192166 /nfs/dbraw/zinc/19/21/66/449192166.db2.gz APVZCRKMYPBGMJ-WMLDXEAASA-N 2 2 326.485 1.005 20 0 EDADLP CCC[C@@](C)(O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207708 449192171 /nfs/dbraw/zinc/19/21/71/449192171.db2.gz APVZCRKMYPBGMJ-WMLDXEAASA-N 2 2 326.485 1.005 20 0 EDADLP CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208222 449192204 /nfs/dbraw/zinc/19/22/04/449192204.db2.gz IDBHIMYQXMWKBU-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208222 449192209 /nfs/dbraw/zinc/19/22/09/449192209.db2.gz IDBHIMYQXMWKBU-DOTOQJQBSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCc4sccc4C3)C2)CC1 ZINC000604207245 449192877 /nfs/dbraw/zinc/19/28/77/449192877.db2.gz CBANQWBUUBQFLK-OAHLLOKOSA-N 2 2 348.516 1.984 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCc4sccc4C3)C2)CC1 ZINC000604207245 449192884 /nfs/dbraw/zinc/19/28/84/449192884.db2.gz CBANQWBUUBQFLK-OAHLLOKOSA-N 2 2 348.516 1.984 20 0 EDADLP CC(C)(C)[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000590639831 449231517 /nfs/dbraw/zinc/23/15/17/449231517.db2.gz LHTJQEMONMIILN-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC(C)(C)[N@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000590639831 449231519 /nfs/dbraw/zinc/23/15/19/449231519.db2.gz LHTJQEMONMIILN-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC(C)(C)[NH+]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000590639831 449231520 /nfs/dbraw/zinc/23/15/20/449231520.db2.gz LHTJQEMONMIILN-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CC(C)(C)[NH+]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000590639831 449231523 /nfs/dbraw/zinc/23/15/23/449231523.db2.gz LHTJQEMONMIILN-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000593870771 449250818 /nfs/dbraw/zinc/25/08/18/449250818.db2.gz XDMJERNTJTYARK-KBPBESRZSA-N 2 2 328.420 1.655 20 0 EDADLP CNC(=O)c1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604389667 449222968 /nfs/dbraw/zinc/22/29/68/449222968.db2.gz IFKQMRAZYHRSIV-GOSISDBHSA-N 2 2 330.476 1.258 20 0 EDADLP CNC(=O)c1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604389667 449222976 /nfs/dbraw/zinc/22/29/76/449222976.db2.gz IFKQMRAZYHRSIV-GOSISDBHSA-N 2 2 330.476 1.258 20 0 EDADLP COc1ccccc1OCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604389966 449223789 /nfs/dbraw/zinc/22/37/89/449223789.db2.gz OCCOTZHQRUJYBZ-QGZVFWFLSA-N 2 2 333.476 1.786 20 0 EDADLP COc1ccccc1OCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389966 449223794 /nfs/dbraw/zinc/22/37/94/449223794.db2.gz OCCOTZHQRUJYBZ-QGZVFWFLSA-N 2 2 333.476 1.786 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC000602097858 449342496 /nfs/dbraw/zinc/34/24/96/449342496.db2.gz PKFBREDVGLRTKB-MSOLQXFVSA-N 2 2 347.507 1.709 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000602131511 449369282 /nfs/dbraw/zinc/36/92/82/449369282.db2.gz DPEJVANMQWVTPG-AWEZNQCLSA-N 2 2 336.436 1.102 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000602131511 449369287 /nfs/dbraw/zinc/36/92/87/449369287.db2.gz DPEJVANMQWVTPG-AWEZNQCLSA-N 2 2 336.436 1.102 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc(C(=O)OC)nn3)CC2)CC1 ZINC000596276487 449452190 /nfs/dbraw/zinc/45/21/90/449452190.db2.gz BDCIGPGZRSVKIO-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3ccc(C(=O)OC)nn3)CC2)CC1 ZINC000596276487 449452196 /nfs/dbraw/zinc/45/21/96/449452196.db2.gz BDCIGPGZRSVKIO-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000600643606 449468620 /nfs/dbraw/zinc/46/86/20/449468620.db2.gz IAYHFTLDDXPQIE-GDBMZVCRSA-N 2 2 328.420 1.367 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000600643606 449468632 /nfs/dbraw/zinc/46/86/32/449468632.db2.gz IAYHFTLDDXPQIE-GDBMZVCRSA-N 2 2 328.420 1.367 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600678599 449486943 /nfs/dbraw/zinc/48/69/43/449486943.db2.gz MBNWAWGBVFKURQ-MRXNPFEDSA-N 2 2 334.464 1.826 20 0 EDADLP COC(=O)c1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)n2c1CCCC2 ZINC000598634703 449510475 /nfs/dbraw/zinc/51/04/75/449510475.db2.gz CCRBCGMVNNBIMW-ZDUSSCGKSA-N 2 2 328.416 1.912 20 0 EDADLP O=C(NCC12CCC[NH+]1CCC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000614228373 449515600 /nfs/dbraw/zinc/51/56/00/449515600.db2.gz QHBPKWYOQNDGNA-UHFFFAOYSA-N 2 2 343.471 1.877 20 0 EDADLP C[C@H]1C[NH+](C(C)(C)CNc2cc(-n3cc[nH+]c3)ncn2)C[C@H](C)O1 ZINC000607142843 449577522 /nfs/dbraw/zinc/57/75/22/449577522.db2.gz ZJTBBBGALNNRDL-KBPBESRZSA-N 2 2 330.436 1.962 20 0 EDADLP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607356213 449602590 /nfs/dbraw/zinc/60/25/90/449602590.db2.gz CEMVGJSVRXYOCR-WBVHZDCISA-N 2 2 341.459 2.244 20 0 EDADLP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607356213 449602594 /nfs/dbraw/zinc/60/25/94/449602594.db2.gz CEMVGJSVRXYOCR-WBVHZDCISA-N 2 2 341.459 2.244 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000614464642 449627311 /nfs/dbraw/zinc/62/73/11/449627311.db2.gz AZKVFKYAHMXASG-KBPBESRZSA-N 2 2 335.452 1.545 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OCC3CC3)CCN2C1=O ZINC000594739319 449660118 /nfs/dbraw/zinc/66/01/18/449660118.db2.gz VCIHGBWAKRKIDG-HZPDHXFCSA-N 2 2 349.862 1.873 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)CCN2C1=O ZINC000594739319 449660120 /nfs/dbraw/zinc/66/01/20/449660120.db2.gz VCIHGBWAKRKIDG-HZPDHXFCSA-N 2 2 349.862 1.873 20 0 EDADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000614521768 449670241 /nfs/dbraw/zinc/67/02/41/449670241.db2.gz RZALOJLMAUNNFM-HUUCEWRRSA-N 2 2 332.448 1.085 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000614521768 449670243 /nfs/dbraw/zinc/67/02/43/449670243.db2.gz RZALOJLMAUNNFM-HUUCEWRRSA-N 2 2 332.448 1.085 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)oc1C ZINC000601002326 449646061 /nfs/dbraw/zinc/64/60/61/449646061.db2.gz QGDRUDQBVYFALN-MRXNPFEDSA-N 2 2 334.464 1.810 20 0 EDADLP Cc1nc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)oc1C ZINC000601002326 449646066 /nfs/dbraw/zinc/64/60/66/449646066.db2.gz QGDRUDQBVYFALN-MRXNPFEDSA-N 2 2 334.464 1.810 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)oc1C ZINC000601002326 449646068 /nfs/dbraw/zinc/64/60/68/449646068.db2.gz QGDRUDQBVYFALN-MRXNPFEDSA-N 2 2 334.464 1.810 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)oc1C ZINC000601002326 449646071 /nfs/dbraw/zinc/64/60/71/449646071.db2.gz QGDRUDQBVYFALN-MRXNPFEDSA-N 2 2 334.464 1.810 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@@H]2CCCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000601201439 449747059 /nfs/dbraw/zinc/74/70/59/449747059.db2.gz ORDGPASQZCWGSJ-HNNXBMFYSA-N 2 2 334.464 2.425 20 0 EDADLP CCOC(=O)CCc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000601201439 449747064 /nfs/dbraw/zinc/74/70/64/449747064.db2.gz ORDGPASQZCWGSJ-HNNXBMFYSA-N 2 2 334.464 2.425 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000608133326 449760975 /nfs/dbraw/zinc/76/09/75/449760975.db2.gz QBJPMCMDNCNPEH-YOEHRIQHSA-N 2 2 345.491 1.142 20 0 EDADLP CN(C(=O)[C@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000608133326 449760980 /nfs/dbraw/zinc/76/09/80/449760980.db2.gz QBJPMCMDNCNPEH-YOEHRIQHSA-N 2 2 345.491 1.142 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000594924565 449808984 /nfs/dbraw/zinc/80/89/84/449808984.db2.gz JJECSRYPEQHSMJ-KBAYOESNSA-N 3 2 346.475 1.381 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000601300492 449810620 /nfs/dbraw/zinc/81/06/20/449810620.db2.gz MOVYDUICOZROHS-OAHLLOKOSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000601300492 449810625 /nfs/dbraw/zinc/81/06/25/449810625.db2.gz MOVYDUICOZROHS-OAHLLOKOSA-N 2 2 326.485 1.269 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncc2cc(Cl)ccn21 ZINC000617762759 449822024 /nfs/dbraw/zinc/82/20/24/449822024.db2.gz YHBJRCJEJFEIMB-UHFFFAOYSA-N 2 2 337.855 1.601 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncc2cc(Cl)ccn21 ZINC000617762759 449822030 /nfs/dbraw/zinc/82/20/30/449822030.db2.gz YHBJRCJEJFEIMB-UHFFFAOYSA-N 2 2 337.855 1.601 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(c1)CCCC2=O ZINC000617763052 449822420 /nfs/dbraw/zinc/82/24/20/449822420.db2.gz BXONIVIZFDWORB-UHFFFAOYSA-N 2 2 331.460 1.819 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)CCCC2=O ZINC000617763052 449822424 /nfs/dbraw/zinc/82/24/24/449822424.db2.gz BXONIVIZFDWORB-UHFFFAOYSA-N 2 2 331.460 1.819 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]nc1-c1ccccn1 ZINC000617764048 449823775 /nfs/dbraw/zinc/82/37/75/449823775.db2.gz HBFOXFQYSIEGMX-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]nc1-c1ccccn1 ZINC000617764048 449823778 /nfs/dbraw/zinc/82/37/78/449823778.db2.gz HBFOXFQYSIEGMX-UHFFFAOYSA-N 2 2 330.436 1.085 20 0 EDADLP C[C@@H]1C(=O)CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1(C)C ZINC000617765241 449826620 /nfs/dbraw/zinc/82/66/20/449826620.db2.gz YKAVKJJSQNEIAS-CABCVRRESA-N 2 2 325.497 1.628 20 0 EDADLP C[C@@H]1C(=O)CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1(C)C ZINC000617765241 449826627 /nfs/dbraw/zinc/82/66/27/449826627.db2.gz YKAVKJJSQNEIAS-CABCVRRESA-N 2 2 325.497 1.628 20 0 EDADLP Cc1cccn2cc(CC(=O)NCC[N@H+]3C[C@@H](C)OC[C@@H]3C)[nH+]c12 ZINC000617735480 449798652 /nfs/dbraw/zinc/79/86/52/449798652.db2.gz QCVJGNMMWLVGGX-LSDHHAIUSA-N 2 2 330.432 1.411 20 0 EDADLP Cc1cccn2cc(CC(=O)NCC[N@@H+]3C[C@@H](C)OC[C@@H]3C)[nH+]c12 ZINC000617735480 449798657 /nfs/dbraw/zinc/79/86/57/449798657.db2.gz QCVJGNMMWLVGGX-LSDHHAIUSA-N 2 2 330.432 1.411 20 0 EDADLP COC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)C1CCOCC1 ZINC000597178663 449857854 /nfs/dbraw/zinc/85/78/54/449857854.db2.gz DQTADIQBDCSAPE-QGZVFWFLSA-N 2 2 342.480 1.435 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612753756 449868009 /nfs/dbraw/zinc/86/80/09/449868009.db2.gz SPLUONOQVFHPJI-IXKJSCDLSA-N 2 2 332.448 1.225 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612753756 449868014 /nfs/dbraw/zinc/86/80/14/449868014.db2.gz SPLUONOQVFHPJI-IXKJSCDLSA-N 2 2 332.448 1.225 20 0 EDADLP C[NH+]1CCC2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)C2)CC1 ZINC000614964149 449897214 /nfs/dbraw/zinc/89/72/14/449897214.db2.gz MDPDDYBULDEDCF-UHFFFAOYSA-N 2 2 326.404 1.220 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615088932 449949793 /nfs/dbraw/zinc/94/97/93/449949793.db2.gz VOIFEJKYYDPJPT-KGLIPLIRSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000615088932 449949799 /nfs/dbraw/zinc/94/97/99/449949799.db2.gz VOIFEJKYYDPJPT-KGLIPLIRSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615088932 449949805 /nfs/dbraw/zinc/94/98/05/449949805.db2.gz VOIFEJKYYDPJPT-KGLIPLIRSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000615088932 449949809 /nfs/dbraw/zinc/94/98/09/449949809.db2.gz VOIFEJKYYDPJPT-KGLIPLIRSA-N 2 2 332.448 1.226 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)c[nH+]2)C[C@@H](C)O1 ZINC000612865443 449916581 /nfs/dbraw/zinc/91/65/81/449916581.db2.gz QYQNFCWCRYVZQU-LBTNJELSSA-N 2 2 347.463 1.246 20 0 EDADLP CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000617928064 449923361 /nfs/dbraw/zinc/92/33/61/449923361.db2.gz INYUWNIJZNGBAE-KRWDZBQOSA-N 2 2 347.507 1.575 20 0 EDADLP CCN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000617928064 449923366 /nfs/dbraw/zinc/92/33/66/449923366.db2.gz INYUWNIJZNGBAE-KRWDZBQOSA-N 2 2 347.507 1.575 20 0 EDADLP CN(C(=O)c1noc2c1CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479709 450002783 /nfs/dbraw/zinc/00/27/83/450002783.db2.gz QMFVZXNFEBNAQO-HNNXBMFYSA-N 2 2 346.475 1.794 20 0 EDADLP CN(C(=O)c1noc2c1CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479709 450002788 /nfs/dbraw/zinc/00/27/88/450002788.db2.gz QMFVZXNFEBNAQO-HNNXBMFYSA-N 2 2 346.475 1.794 20 0 EDADLP CCc1ncncc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479747 450002902 /nfs/dbraw/zinc/00/29/02/450002902.db2.gz RYEYDMCLFPAJKY-HNNXBMFYSA-N 2 2 331.464 1.280 20 0 EDADLP CCc1ncncc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479747 450002905 /nfs/dbraw/zinc/00/29/05/450002905.db2.gz RYEYDMCLFPAJKY-HNNXBMFYSA-N 2 2 331.464 1.280 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000595377172 450091895 /nfs/dbraw/zinc/09/18/95/450091895.db2.gz LJDOPKVSIIFBAH-UONOGXRCSA-N 2 2 334.420 1.143 20 0 EDADLP COC(=O)c1c[nH]c2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc12 ZINC000599615782 450106013 /nfs/dbraw/zinc/10/60/13/450106013.db2.gz NCPCUPCQBPJRSE-LBPRGKRZSA-N 2 2 345.403 1.061 20 0 EDADLP C[C@H](C(=O)N1CC(C[NH+](C)C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000615510693 450119075 /nfs/dbraw/zinc/11/90/75/450119075.db2.gz SVSYGXNFHSJGML-OAHLLOKOSA-N 2 2 348.466 1.356 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)CN3CCOCC3)c2cc1C ZINC000613361483 450148308 /nfs/dbraw/zinc/14/83/08/450148308.db2.gz MXWLUXMMDJYIST-IAGOWNOFSA-N 2 2 346.475 1.324 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615537455 450130995 /nfs/dbraw/zinc/13/09/95/450130995.db2.gz YYIYXUJYQMVMDT-HNNXBMFYSA-N 2 2 348.447 1.207 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC(=O)NCc1ccco1)C2 ZINC000595508137 450196396 /nfs/dbraw/zinc/19/63/96/450196396.db2.gz UHNTXIFUXZFCSY-QGZVFWFLSA-N 2 2 334.420 1.023 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC(=O)NCc1ccco1)C2 ZINC000595508137 450196401 /nfs/dbraw/zinc/19/64/01/450196401.db2.gz UHNTXIFUXZFCSY-QGZVFWFLSA-N 2 2 334.420 1.023 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC(=O)NCc1ccco1)C2 ZINC000595508137 450196408 /nfs/dbraw/zinc/19/64/08/450196408.db2.gz UHNTXIFUXZFCSY-QGZVFWFLSA-N 2 2 334.420 1.023 20 0 EDADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC(=O)NCc1ccco1)C2 ZINC000595508137 450196416 /nfs/dbraw/zinc/19/64/16/450196416.db2.gz UHNTXIFUXZFCSY-QGZVFWFLSA-N 2 2 334.420 1.023 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c[nH+]1 ZINC000601790066 450241731 /nfs/dbraw/zinc/24/17/31/450241731.db2.gz MTPNVGNYKCMPHJ-HZPDHXFCSA-N 2 2 331.464 1.916 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c[nH+]1 ZINC000601790066 450241736 /nfs/dbraw/zinc/24/17/36/450241736.db2.gz MTPNVGNYKCMPHJ-HZPDHXFCSA-N 2 2 331.464 1.916 20 0 EDADLP CC(C)[C@H](CNC(=O)NCCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000615907642 450268849 /nfs/dbraw/zinc/26/88/49/450268849.db2.gz GAGRXLSZOGNGPO-INIZCTEOSA-N 2 2 337.468 1.319 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000623342497 450501447 /nfs/dbraw/zinc/50/14/47/450501447.db2.gz CTCIJOQFTHRYDO-CABCVRRESA-N 2 2 336.436 1.046 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000623342497 450501452 /nfs/dbraw/zinc/50/14/52/450501452.db2.gz CTCIJOQFTHRYDO-CABCVRRESA-N 2 2 336.436 1.046 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000623534094 450538721 /nfs/dbraw/zinc/53/87/21/450538721.db2.gz XIRGNJSPHQXBNC-HNNXBMFYSA-N 2 2 325.416 1.498 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623538875 450539768 /nfs/dbraw/zinc/53/97/68/450539768.db2.gz YGQYXNAGLVCMLQ-HNNXBMFYSA-N 2 2 339.505 1.899 20 0 EDADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623538875 450539770 /nfs/dbraw/zinc/53/97/70/450539770.db2.gz YGQYXNAGLVCMLQ-HNNXBMFYSA-N 2 2 339.505 1.899 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000620770266 450541161 /nfs/dbraw/zinc/54/11/61/450541161.db2.gz QPIQITYDGPVKLV-UHFFFAOYSA-N 2 2 333.476 1.988 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000620770266 450541163 /nfs/dbraw/zinc/54/11/63/450541163.db2.gz QPIQITYDGPVKLV-UHFFFAOYSA-N 2 2 333.476 1.988 20 0 EDADLP CCC1([NH+]2CCOCC2)CC[NH+](CCn2c(C)csc2=O)CC1 ZINC000626086659 450572948 /nfs/dbraw/zinc/57/29/48/450572948.db2.gz KIWUTOYCWIUJTG-UHFFFAOYSA-N 2 2 339.505 1.795 20 0 EDADLP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCO1 ZINC000620974621 450567792 /nfs/dbraw/zinc/56/77/92/450567792.db2.gz LOGBEAASQNOEMB-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@H](OCC[NH+]3CCCC3)C1)CC2 ZINC000626122327 450579046 /nfs/dbraw/zinc/57/90/46/450579046.db2.gz RYIFUSRYOZILES-IRXDYDNUSA-N 2 2 346.475 1.467 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000626168263 450599418 /nfs/dbraw/zinc/59/94/18/450599418.db2.gz NUORDMDZJCBUBD-INIZCTEOSA-N 2 2 348.472 1.634 20 0 EDADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000626168263 450599424 /nfs/dbraw/zinc/59/94/24/450599424.db2.gz NUORDMDZJCBUBD-INIZCTEOSA-N 2 2 348.472 1.634 20 0 EDADLP O=C1[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCN1C1CCC1 ZINC000623841909 450611848 /nfs/dbraw/zinc/61/18/48/450611848.db2.gz AWUZALUCTSHNSP-GOSISDBHSA-N 2 2 328.460 1.789 20 0 EDADLP C[C@@H](Nc1nc2c(cnn2C(C)(C)C)c(N)[nH+]1)C1CC[NH+](C)CC1 ZINC000623969822 450655560 /nfs/dbraw/zinc/65/55/60/450655560.db2.gz VRZLESZCYDFWHH-LLVKDONJSA-N 2 2 331.468 2.306 20 0 EDADLP CC(C)(CO)[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623975091 450657002 /nfs/dbraw/zinc/65/70/02/450657002.db2.gz YRVOSVQROVMYOW-UHFFFAOYSA-N 2 2 325.416 1.775 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000635124663 450670145 /nfs/dbraw/zinc/67/01/45/450670145.db2.gz AQKPRXFUHHUOID-MRXNPFEDSA-N 2 2 331.460 1.477 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000635124663 450670149 /nfs/dbraw/zinc/67/01/49/450670149.db2.gz AQKPRXFUHHUOID-MRXNPFEDSA-N 2 2 331.460 1.477 20 0 EDADLP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000629522354 450725299 /nfs/dbraw/zinc/72/52/99/450725299.db2.gz XZUHDGIDMOMEPX-CYBMUJFWSA-N 2 2 341.477 1.095 20 0 EDADLP Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(O[C@@H]2CCOC2)c1 ZINC000629566369 450738737 /nfs/dbraw/zinc/73/87/37/450738737.db2.gz JMIVZPFVPKPLLT-QZTJIDSGSA-N 2 2 334.460 1.709 20 0 EDADLP OCC[NH2+]C1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000631862747 450832133 /nfs/dbraw/zinc/83/21/33/450832133.db2.gz MYVOQABAHUTVLV-IBGZPJMESA-N 2 2 334.460 1.791 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000626686356 450852780 /nfs/dbraw/zinc/85/27/80/450852780.db2.gz CBEYKRCGNRQWBT-HZPDHXFCSA-N 2 2 346.475 1.466 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C3CCOCC3)C[C@H]1C)CC2 ZINC000626686356 450852783 /nfs/dbraw/zinc/85/27/83/450852783.db2.gz CBEYKRCGNRQWBT-HZPDHXFCSA-N 2 2 346.475 1.466 20 0 EDADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633447423 450855417 /nfs/dbraw/zinc/85/54/17/450855417.db2.gz WCHVZUQJWYGSPQ-HOTGVXAUSA-N 2 2 342.443 1.328 20 0 EDADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633447423 450855421 /nfs/dbraw/zinc/85/54/21/450855421.db2.gz WCHVZUQJWYGSPQ-HOTGVXAUSA-N 2 2 342.443 1.328 20 0 EDADLP [NH3+][C@]12CCC[C@H]1CN(CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000621781937 450865885 /nfs/dbraw/zinc/86/58/85/450865885.db2.gz KHFGONVWTGBHOC-YJBOKZPZSA-N 2 2 348.516 1.206 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000635400246 450907580 /nfs/dbraw/zinc/90/75/80/450907580.db2.gz AXYRMFHSPGXUKK-OAHLLOKOSA-N 2 2 341.415 1.556 20 0 EDADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000624732309 450968963 /nfs/dbraw/zinc/96/89/63/450968963.db2.gz ORKAXDJFPZJIKP-OAHLLOKOSA-N 2 2 338.452 1.074 20 0 EDADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000624732309 450968966 /nfs/dbraw/zinc/96/89/66/450968966.db2.gz ORKAXDJFPZJIKP-OAHLLOKOSA-N 2 2 338.452 1.074 20 0 EDADLP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624732309 450968973 /nfs/dbraw/zinc/96/89/73/450968973.db2.gz ORKAXDJFPZJIKP-OAHLLOKOSA-N 2 2 338.452 1.074 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]([NH+]3CCOCC3)CC1)CC2 ZINC000626885159 450982055 /nfs/dbraw/zinc/98/20/55/450982055.db2.gz CMGKCGAYQLEUME-IAGOWNOFSA-N 2 2 346.475 1.467 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635504794 450999363 /nfs/dbraw/zinc/99/93/63/450999363.db2.gz WVSKICDRVFSOKZ-LBPRGKRZSA-N 2 2 336.358 1.413 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)n1C ZINC000635557407 451055840 /nfs/dbraw/zinc/05/58/40/451055840.db2.gz PVHUOJVANAVVIT-NSHDSACASA-N 2 2 344.341 1.493 20 0 EDADLP CCO[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000624937514 451070984 /nfs/dbraw/zinc/07/09/84/451070984.db2.gz YEUJNDMHVUISBM-KRWDZBQOSA-N 2 2 325.497 1.722 20 0 EDADLP Cc1cn2ccc(C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)cc2[nH+]1 ZINC000635581219 451081320 /nfs/dbraw/zinc/08/13/20/451081320.db2.gz FSHOQVFEYRPHMO-OAHLLOKOSA-N 2 2 342.443 1.873 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635592429 451089297 /nfs/dbraw/zinc/08/92/97/451089297.db2.gz TXIYGIZIEOCVEJ-INIZCTEOSA-N 2 2 328.416 1.990 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635592429 451089302 /nfs/dbraw/zinc/08/93/02/451089302.db2.gz TXIYGIZIEOCVEJ-INIZCTEOSA-N 2 2 328.416 1.990 20 0 EDADLP Cc1cc(NCCNC(=O)NC2CCC([NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000627076881 451112140 /nfs/dbraw/zinc/11/21/40/451112140.db2.gz LXVQNYBMVXXWHP-UHFFFAOYSA-N 2 2 334.468 1.889 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000628061927 451113198 /nfs/dbraw/zinc/11/31/98/451113198.db2.gz SWJBMRAIAWMFMX-UHFFFAOYSA-N 2 2 346.397 1.643 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000628061927 451113203 /nfs/dbraw/zinc/11/32/03/451113203.db2.gz SWJBMRAIAWMFMX-UHFFFAOYSA-N 2 2 346.397 1.643 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000627087977 451118164 /nfs/dbraw/zinc/11/81/64/451118164.db2.gz MSYMPAYPXBJQGE-ZIAGYGMSSA-N 2 2 334.468 1.889 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000627090206 451120437 /nfs/dbraw/zinc/12/04/37/451120437.db2.gz SCJANNCQXRZFDO-JSGCOSHPSA-N 2 2 334.468 1.760 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CCO1 ZINC000625029078 451120714 /nfs/dbraw/zinc/12/07/14/451120714.db2.gz YHTOADFZBAUOSF-RYQLBKOJSA-N 2 2 331.460 1.169 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CCO1 ZINC000625029078 451120718 /nfs/dbraw/zinc/12/07/18/451120718.db2.gz YHTOADFZBAUOSF-RYQLBKOJSA-N 2 2 331.460 1.169 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000625029078 451120723 /nfs/dbraw/zinc/12/07/23/451120723.db2.gz YHTOADFZBAUOSF-RYQLBKOJSA-N 2 2 331.460 1.169 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000625029078 451120727 /nfs/dbraw/zinc/12/07/27/451120727.db2.gz YHTOADFZBAUOSF-RYQLBKOJSA-N 2 2 331.460 1.169 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121644 451142384 /nfs/dbraw/zinc/14/23/84/451142384.db2.gz PVSSSVCLVKKFDZ-HNNXBMFYSA-N 2 2 334.464 1.720 20 0 EDADLP CN(C)[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1c[nH+]cn1C ZINC000622543192 451167081 /nfs/dbraw/zinc/16/70/81/451167081.db2.gz CQZCBNZVTJFQLD-QGZVFWFLSA-N 2 2 329.448 1.766 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000635698959 451181021 /nfs/dbraw/zinc/18/10/21/451181021.db2.gz RJERGOAOIOVLKA-CHWSQXEVSA-N 2 2 346.353 1.310 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000632331953 451203295 /nfs/dbraw/zinc/20/32/95/451203295.db2.gz DCOWCHICRYJZGN-UHFFFAOYSA-N 2 2 337.489 1.227 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000632331953 451203300 /nfs/dbraw/zinc/20/33/00/451203300.db2.gz DCOWCHICRYJZGN-UHFFFAOYSA-N 2 2 337.489 1.227 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000630520370 451230584 /nfs/dbraw/zinc/23/05/84/451230584.db2.gz ZKTHUULCVAYEHD-UHFFFAOYSA-N 2 2 347.488 1.464 20 0 EDADLP CN(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000635732714 451204878 /nfs/dbraw/zinc/20/48/78/451204878.db2.gz GPADNEVPMAYSIB-RANZSIQMSA-N 2 2 337.508 1.553 20 0 EDADLP CN(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000635732714 451204882 /nfs/dbraw/zinc/20/48/82/451204882.db2.gz GPADNEVPMAYSIB-RANZSIQMSA-N 2 2 337.508 1.553 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C[C@@H]1C ZINC000635735677 451206733 /nfs/dbraw/zinc/20/67/33/451206733.db2.gz RHINRNBFZNVUQZ-YJBOKZPZSA-N 2 2 331.460 1.822 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C[C@@H]1C ZINC000635735677 451206735 /nfs/dbraw/zinc/20/67/35/451206735.db2.gz RHINRNBFZNVUQZ-YJBOKZPZSA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C[C@@H]1C ZINC000635735677 451206737 /nfs/dbraw/zinc/20/67/37/451206737.db2.gz RHINRNBFZNVUQZ-YJBOKZPZSA-N 2 2 331.460 1.822 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C[C@@H]1C ZINC000635735677 451206739 /nfs/dbraw/zinc/20/67/39/451206739.db2.gz RHINRNBFZNVUQZ-YJBOKZPZSA-N 2 2 331.460 1.822 20 0 EDADLP CC(C)C[C@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)n1cc[nH+]c1 ZINC000635737683 451207850 /nfs/dbraw/zinc/20/78/50/451207850.db2.gz ZZQALWTXFLGSFM-MRXNPFEDSA-N 2 2 345.447 1.832 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3C[C@H]4CC(=O)[C@@H]3C4)c2)CC1 ZINC000634195161 451232725 /nfs/dbraw/zinc/23/27/25/451232725.db2.gz UNRAPJSLXIUQIG-CFVMTHIKSA-N 2 2 328.416 1.387 20 0 EDADLP CC[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)N1CCCC1=O ZINC000634195936 451234200 /nfs/dbraw/zinc/23/42/00/451234200.db2.gz KDHQHNAAMYWSNY-HNNXBMFYSA-N 2 2 345.447 1.173 20 0 EDADLP COC[C@@]1(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CCCC[NH2+]1 ZINC000638118216 451286041 /nfs/dbraw/zinc/28/60/41/451286041.db2.gz RDDFQZMGSJTFCA-GOSISDBHSA-N 2 2 330.432 1.460 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc[nH+]1 ZINC000635797429 451246049 /nfs/dbraw/zinc/24/60/49/451246049.db2.gz IWZBIGPFZBCTMR-INIZCTEOSA-N 2 2 329.448 1.451 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc[nH+]1 ZINC000635797429 451246053 /nfs/dbraw/zinc/24/60/53/451246053.db2.gz IWZBIGPFZBCTMR-INIZCTEOSA-N 2 2 329.448 1.451 20 0 EDADLP [NH3+][C@H]1CC=C(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000638085188 451250099 /nfs/dbraw/zinc/25/00/99/451250099.db2.gz OYROIPFIJOBPTN-KRWDZBQOSA-N 2 2 345.443 1.061 20 0 EDADLP C[N@H+](Cc1cn[nH]c1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638085299 451250175 /nfs/dbraw/zinc/25/01/75/451250175.db2.gz VPAULPKYUADDDC-UHFFFAOYSA-N 2 2 330.432 1.753 20 0 EDADLP C[N@@H+](Cc1cn[nH]c1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638085299 451250181 /nfs/dbraw/zinc/25/01/81/451250181.db2.gz VPAULPKYUADDDC-UHFFFAOYSA-N 2 2 330.432 1.753 20 0 EDADLP CC[N@H+](CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CC1 ZINC000634303011 451286607 /nfs/dbraw/zinc/28/66/07/451286607.db2.gz BZDQTBXBXMEEEY-UHFFFAOYSA-N 2 2 334.489 1.735 20 0 EDADLP CC[N@@H+](CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C1CC1 ZINC000634303011 451286613 /nfs/dbraw/zinc/28/66/13/451286613.db2.gz BZDQTBXBXMEEEY-UHFFFAOYSA-N 2 2 334.489 1.735 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000638097371 451260425 /nfs/dbraw/zinc/26/04/25/451260425.db2.gz DFQLYRGFVSSMDS-ZDUSSCGKSA-N 2 2 342.321 1.770 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000638103760 451270643 /nfs/dbraw/zinc/27/06/43/451270643.db2.gz BZWOULXHZWOKLT-APWZRJJASA-N 2 2 346.475 1.845 20 0 EDADLP CC(=O)N1CCCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195520 451232189 /nfs/dbraw/zinc/23/21/89/451232189.db2.gz WXDPDDFECFELKG-INIZCTEOSA-N 2 2 345.447 1.173 20 0 EDADLP C[N@H+](CCc1ccccc1)CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000635858714 451306941 /nfs/dbraw/zinc/30/69/41/451306941.db2.gz KZNOAHGHXUTINJ-UHFFFAOYSA-N 2 2 327.432 1.233 20 0 EDADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000635858714 451306946 /nfs/dbraw/zinc/30/69/46/451306946.db2.gz KZNOAHGHXUTINJ-UHFFFAOYSA-N 2 2 327.432 1.233 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000628666081 451362518 /nfs/dbraw/zinc/36/25/18/451362518.db2.gz BSGHWTQQUFWUKV-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC000628666081 451362522 /nfs/dbraw/zinc/36/25/22/451362522.db2.gz BSGHWTQQUFWUKV-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000628666081 451362527 /nfs/dbraw/zinc/36/25/27/451362527.db2.gz BSGHWTQQUFWUKV-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000628666081 451362533 /nfs/dbraw/zinc/36/25/33/451362533.db2.gz BSGHWTQQUFWUKV-AEFFLSMTSA-N 2 2 331.460 1.870 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636629315 451366626 /nfs/dbraw/zinc/36/66/26/451366626.db2.gz LALJLLZMQVMJEW-CQSZACIVSA-N 2 2 335.452 1.139 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636629315 451366630 /nfs/dbraw/zinc/36/66/30/451366630.db2.gz LALJLLZMQVMJEW-CQSZACIVSA-N 2 2 335.452 1.139 20 0 EDADLP CC1(C)[C@H](NC(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000640519389 451371071 /nfs/dbraw/zinc/37/10/71/451371071.db2.gz LZVQXQQYECAQHX-CABCVRRESA-N 2 2 328.416 1.563 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638232458 451371375 /nfs/dbraw/zinc/37/13/75/451371375.db2.gz BKVASORPNCTCIN-OCCSQVGLSA-N 2 2 330.354 1.979 20 0 EDADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638278043 451396868 /nfs/dbraw/zinc/39/68/68/451396868.db2.gz PULZHAIIVXSFET-KDOFPFPSSA-N 2 2 335.423 1.409 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@H]2C1 ZINC000635962031 451400158 /nfs/dbraw/zinc/40/01/58/451400158.db2.gz DWBLBGVZUDDANK-IXDOHACOSA-N 2 2 334.464 1.792 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@H]2C1 ZINC000635962031 451400162 /nfs/dbraw/zinc/40/01/62/451400162.db2.gz DWBLBGVZUDDANK-IXDOHACOSA-N 2 2 334.464 1.792 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000638297274 451411707 /nfs/dbraw/zinc/41/17/07/451411707.db2.gz KXWBLRJRBKTNHI-YQQAZPJKSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)[C@@H]1c1ccc(F)c(F)c1 ZINC000638297274 451411710 /nfs/dbraw/zinc/41/17/10/451411710.db2.gz KXWBLRJRBKTNHI-YQQAZPJKSA-N 2 2 339.386 1.205 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[N@@H+]1C ZINC000630807765 451413061 /nfs/dbraw/zinc/41/30/61/451413061.db2.gz BYPGOBHQBPEOAS-ZMSDIMECSA-N 2 2 341.521 1.041 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC[N@H+]1C ZINC000630807765 451413065 /nfs/dbraw/zinc/41/30/65/451413065.db2.gz BYPGOBHQBPEOAS-ZMSDIMECSA-N 2 2 341.521 1.041 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000632574284 451415174 /nfs/dbraw/zinc/41/51/74/451415174.db2.gz FFEVIFINWWLCFK-INIZCTEOSA-N 2 2 337.489 1.275 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000632574284 451415178 /nfs/dbraw/zinc/41/51/78/451415178.db2.gz FFEVIFINWWLCFK-INIZCTEOSA-N 2 2 337.489 1.275 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000638336493 451440740 /nfs/dbraw/zinc/44/07/40/451440740.db2.gz VANAKIXPGINURV-UHFFFAOYSA-N 2 2 349.456 1.465 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)o1 ZINC000638336493 451440746 /nfs/dbraw/zinc/44/07/46/451440746.db2.gz VANAKIXPGINURV-UHFFFAOYSA-N 2 2 349.456 1.465 20 0 EDADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)CC1(O)CCOCC1 ZINC000634644251 451437138 /nfs/dbraw/zinc/43/71/38/451437138.db2.gz QYQQNIHAHMDOMU-HNNXBMFYSA-N 2 2 349.406 1.394 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000638380878 451475286 /nfs/dbraw/zinc/47/52/86/451475286.db2.gz GUVVIIUFZFJUBO-ZDUSSCGKSA-N 2 2 348.369 1.604 20 0 EDADLP CNc1[nH+]cnc2c1cnn2C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634648086 451442124 /nfs/dbraw/zinc/44/21/24/451442124.db2.gz KIMAMCSTBLUECS-SFHVURJKSA-N 2 2 338.415 1.505 20 0 EDADLP CNc1[nH+]cnc2c1cnn2C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634648086 451442127 /nfs/dbraw/zinc/44/21/27/451442127.db2.gz KIMAMCSTBLUECS-SFHVURJKSA-N 2 2 338.415 1.505 20 0 EDADLP CN(C)c1cc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000640601687 451448466 /nfs/dbraw/zinc/44/84/66/451448466.db2.gz MGTZZMCIXBSAMW-CQSZACIVSA-N 2 2 333.436 1.334 20 0 EDADLP O[C@H](C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2)C[NH+]1CCCC1 ZINC000638411017 451496927 /nfs/dbraw/zinc/49/69/27/451496927.db2.gz DWXVKQFBZXUUBC-GFCCVEGCSA-N 2 2 346.397 1.785 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636784901 451506213 /nfs/dbraw/zinc/50/62/13/451506213.db2.gz ANIYWJMWRFARIW-IRXDYDNUSA-N 2 2 339.443 1.772 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631033926 451542696 /nfs/dbraw/zinc/54/26/96/451542696.db2.gz CXZUBTTYNIMKIF-LJQANCHMSA-N 3 2 347.503 1.972 20 0 EDADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631033926 451542701 /nfs/dbraw/zinc/54/27/01/451542701.db2.gz CXZUBTTYNIMKIF-LJQANCHMSA-N 3 2 347.503 1.972 20 0 EDADLP COc1cncc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000631059203 451560368 /nfs/dbraw/zinc/56/03/68/451560368.db2.gz JWWLVHYUSJFQCL-MRXNPFEDSA-N 2 2 334.464 1.431 20 0 EDADLP COc1cncc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000631059203 451560371 /nfs/dbraw/zinc/56/03/71/451560371.db2.gz JWWLVHYUSJFQCL-MRXNPFEDSA-N 2 2 334.464 1.431 20 0 EDADLP CN1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCC1=O ZINC000631077659 451570861 /nfs/dbraw/zinc/57/08/61/451570861.db2.gz XSUVVPBRURZHPA-KRWDZBQOSA-N 2 2 347.459 1.108 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H](C[NH3+])c2ccccc2)nc(C(C)C)[nH+]1 ZINC000638583824 451589465 /nfs/dbraw/zinc/58/94/65/451589465.db2.gz NYUPSDWGECDPNM-MRXNPFEDSA-N 2 2 341.459 2.179 20 0 EDADLP CO[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)Cc1ccccc1 ZINC000638599940 451598078 /nfs/dbraw/zinc/59/80/78/451598078.db2.gz VERVNSKYGRCWCQ-PMACEKPBSA-N 2 2 347.503 1.240 20 0 EDADLP O=S1(=O)CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000634951906 451620914 /nfs/dbraw/zinc/62/09/14/451620914.db2.gz JZKDEKIMRDLUSR-QGZVFWFLSA-N 2 2 333.457 1.988 20 0 EDADLP [NH3+]CCCOCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000638661684 451638649 /nfs/dbraw/zinc/63/86/49/451638649.db2.gz WRJHGXFNZNRGHM-INIZCTEOSA-N 2 2 337.489 1.258 20 0 EDADLP O[C@@H](CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(F)F ZINC000631214975 451645815 /nfs/dbraw/zinc/64/58/15/451645815.db2.gz GIWFRIQJCOERBY-INIZCTEOSA-N 2 2 344.402 1.503 20 0 EDADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632911222 451646656 /nfs/dbraw/zinc/64/66/56/451646656.db2.gz JRVBOGPBQHVDGF-KBPBESRZSA-N 2 2 327.388 1.540 20 0 EDADLP CNS(=O)(=O)CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000635004248 451647978 /nfs/dbraw/zinc/64/79/78/451647978.db2.gz CSIULGUUXOAKJD-HOTGVXAUSA-N 2 2 341.477 1.017 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2cc(C(F)(F)F)ccc2C1 ZINC000638683749 451652309 /nfs/dbraw/zinc/65/23/09/451652309.db2.gz LFRDDVPJPDAWBK-CQSZACIVSA-N 2 2 329.366 1.869 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000638758548 451682056 /nfs/dbraw/zinc/68/20/56/451682056.db2.gz XQYFNYFXSKTDKG-AWEZNQCLSA-N 2 2 340.830 1.898 20 0 EDADLP Cn1ncnc1CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000638880266 451718055 /nfs/dbraw/zinc/71/80/55/451718055.db2.gz DRCNSRWLWKYRPA-UHFFFAOYSA-N 2 2 341.419 1.178 20 0 EDADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638727422 451667635 /nfs/dbraw/zinc/66/76/35/451667635.db2.gz CQGFYZQYDAYJQV-UHFFFAOYSA-N 2 2 335.448 1.832 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)C1([NH2+]C2CC2)CCC1 ZINC000638731046 451669637 /nfs/dbraw/zinc/66/96/37/451669637.db2.gz JIPYFQZDTGRFEM-KRWDZBQOSA-N 2 2 344.459 1.073 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)C1([NH2+]C2CC2)CCC1 ZINC000638731046 451669641 /nfs/dbraw/zinc/66/96/41/451669641.db2.gz JIPYFQZDTGRFEM-KRWDZBQOSA-N 2 2 344.459 1.073 20 0 EDADLP FC(F)(F)Cn1cc[nH+]c1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641028909 451734573 /nfs/dbraw/zinc/73/45/73/451734573.db2.gz PQXSOYRVRKJKLG-NSHDSACASA-N 2 2 328.342 1.627 20 0 EDADLP CC[N@H+](CCCNC(=O)NCC[NH+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636493814 451735858 /nfs/dbraw/zinc/73/58/58/451735858.db2.gz KQFAAKLCCSUOOG-QGZVFWFLSA-N 2 2 334.464 1.269 20 0 EDADLP CC[N@@H+](CCCNC(=O)NCC[NH+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636493814 451735860 /nfs/dbraw/zinc/73/58/60/451735860.db2.gz KQFAAKLCCSUOOG-QGZVFWFLSA-N 2 2 334.464 1.269 20 0 EDADLP CC[NH+](CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636493814 451735862 /nfs/dbraw/zinc/73/58/62/451735862.db2.gz KQFAAKLCCSUOOG-QGZVFWFLSA-N 2 2 334.464 1.269 20 0 EDADLP CC[NH+](CCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636493814 451735864 /nfs/dbraw/zinc/73/58/64/451735864.db2.gz KQFAAKLCCSUOOG-QGZVFWFLSA-N 2 2 334.464 1.269 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ncnc2ccsc21 ZINC000638985841 451746838 /nfs/dbraw/zinc/74/68/38/451746838.db2.gz PCEKQKCQZTWGSB-UHFFFAOYSA-N 2 2 340.412 1.748 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000638987549 451748143 /nfs/dbraw/zinc/74/81/43/451748143.db2.gz UXOFWHFPQBFKIO-QGZVFWFLSA-N 3 2 337.427 1.144 20 0 EDADLP O=C(CC[C@@H]1CC[NH2+]C1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990157 451748755 /nfs/dbraw/zinc/74/87/55/451748755.db2.gz IXEBAYYTKGFSFF-CQSZACIVSA-N 2 2 334.489 1.641 20 0 EDADLP OCC[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639073855 451761770 /nfs/dbraw/zinc/76/17/70/451761770.db2.gz JATRVIUBCJCBPV-SFHVURJKSA-N 2 2 334.460 1.744 20 0 EDADLP OCC[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639073855 451761773 /nfs/dbraw/zinc/76/17/73/451761773.db2.gz JATRVIUBCJCBPV-SFHVURJKSA-N 2 2 334.460 1.744 20 0 EDADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)Cc1c[nH+]c(N)nc1N ZINC000639170998 451784331 /nfs/dbraw/zinc/78/43/31/451784331.db2.gz NOCXCDGTXOFWKT-UHFFFAOYSA-N 2 2 336.390 1.144 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637340962 451794626 /nfs/dbraw/zinc/79/46/26/451794626.db2.gz YOIZECXHPNIDPX-UHFFFAOYSA-N 2 2 346.475 1.583 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641279726 451803814 /nfs/dbraw/zinc/80/38/14/451803814.db2.gz SPGMSGIANCZVNN-CYBMUJFWSA-N 2 2 334.445 1.238 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641279726 451803819 /nfs/dbraw/zinc/80/38/19/451803819.db2.gz SPGMSGIANCZVNN-CYBMUJFWSA-N 2 2 334.445 1.238 20 0 EDADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000639289327 451810074 /nfs/dbraw/zinc/81/00/74/451810074.db2.gz NUHBPFSAVODUGT-RBSFLKMASA-N 2 2 340.475 1.785 20 0 EDADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000639289327 451810080 /nfs/dbraw/zinc/81/00/80/451810080.db2.gz NUHBPFSAVODUGT-RBSFLKMASA-N 2 2 340.475 1.785 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CC[N@H+](C)C1 ZINC000646766311 451827568 /nfs/dbraw/zinc/82/75/68/451827568.db2.gz VXRGAIWPZGBQOG-CQSZACIVSA-N 2 2 329.404 1.216 20 0 EDADLP CCCN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@@H]1CC[N@@H+](C)C1 ZINC000646766311 451827577 /nfs/dbraw/zinc/82/75/77/451827577.db2.gz VXRGAIWPZGBQOG-CQSZACIVSA-N 2 2 329.404 1.216 20 0 EDADLP O=c1c(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cccn1C(F)F ZINC000639330619 451828841 /nfs/dbraw/zinc/82/88/41/451828841.db2.gz MXUZNYKXRGHAMB-CQSZACIVSA-N 2 2 327.375 1.274 20 0 EDADLP O=c1c(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cccn1C(F)F ZINC000639330619 451828846 /nfs/dbraw/zinc/82/88/46/451828846.db2.gz MXUZNYKXRGHAMB-CQSZACIVSA-N 2 2 327.375 1.274 20 0 EDADLP O=C(CC[NH2+]CC1(O)CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000644533908 451846756 /nfs/dbraw/zinc/84/67/56/451846756.db2.gz RTBDCYLHDMQXJC-UHFFFAOYSA-N 2 2 332.448 1.015 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646798691 451848075 /nfs/dbraw/zinc/84/80/75/451848075.db2.gz IWZXTJRAUCQQLP-KRWDZBQOSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646798691 451848079 /nfs/dbraw/zinc/84/80/79/451848079.db2.gz IWZXTJRAUCQQLP-KRWDZBQOSA-N 2 2 326.444 1.991 20 0 EDADLP Cc1ncccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637428186 451849592 /nfs/dbraw/zinc/84/95/92/451849592.db2.gz WUJXRMJBGACXEZ-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1ncccc1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637428186 451849595 /nfs/dbraw/zinc/84/95/95/451849595.db2.gz WUJXRMJBGACXEZ-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000637440812 451855715 /nfs/dbraw/zinc/85/57/15/451855715.db2.gz UACFMOXOJCIIMF-PKOBYXMFSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000637440812 451855719 /nfs/dbraw/zinc/85/57/19/451855719.db2.gz UACFMOXOJCIIMF-PKOBYXMFSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000637440812 451855722 /nfs/dbraw/zinc/85/57/22/451855722.db2.gz UACFMOXOJCIIMF-PKOBYXMFSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000637440812 451855724 /nfs/dbraw/zinc/85/57/24/451855724.db2.gz UACFMOXOJCIIMF-PKOBYXMFSA-N 2 2 346.475 1.281 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649279323 451950877 /nfs/dbraw/zinc/95/08/77/451950877.db2.gz GBBOUDGDSJDWGL-PBHICJAKSA-N 2 2 333.432 1.018 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)C[C@@H](C)O1 ZINC000644655927 451921026 /nfs/dbraw/zinc/92/10/26/451921026.db2.gz SHYUULQTWIOVKB-KLHDSHLOSA-N 2 2 336.501 1.936 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000641391445 451927599 /nfs/dbraw/zinc/92/75/99/451927599.db2.gz OGAQIMWLMVISCR-GDBMZVCRSA-N 2 2 338.477 1.162 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000641391445 451927608 /nfs/dbraw/zinc/92/76/08/451927608.db2.gz OGAQIMWLMVISCR-GDBMZVCRSA-N 2 2 338.477 1.162 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)CC2)[nH+]c1 ZINC000646911986 451929959 /nfs/dbraw/zinc/92/99/59/451929959.db2.gz KVPUSADQBCCOCK-DLBZAZTESA-N 2 2 328.460 1.769 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)CC2)[nH+]c1 ZINC000646911986 451929969 /nfs/dbraw/zinc/92/99/69/451929969.db2.gz KVPUSADQBCCOCK-DLBZAZTESA-N 2 2 328.460 1.769 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000646933679 451948251 /nfs/dbraw/zinc/94/82/51/451948251.db2.gz HQTRJTRABGIKPO-WMZOPIPTSA-N 2 2 329.444 1.295 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000646933679 451948255 /nfs/dbraw/zinc/94/82/55/451948255.db2.gz HQTRJTRABGIKPO-WMZOPIPTSA-N 2 2 329.444 1.295 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904572 451982850 /nfs/dbraw/zinc/98/28/50/451982850.db2.gz ZCUNJGWJOVDDRM-CABCVRRESA-N 2 2 347.463 1.215 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000653572832 452022954 /nfs/dbraw/zinc/02/29/54/452022954.db2.gz CTMNDXHKOXSULL-HOTGVXAUSA-N 2 2 347.459 1.946 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000653572832 452022960 /nfs/dbraw/zinc/02/29/60/452022960.db2.gz CTMNDXHKOXSULL-HOTGVXAUSA-N 2 2 347.459 1.946 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([C@@H]4CC[NH2+]C4)CC3)[nH+]cn2)C1 ZINC000643042059 452025318 /nfs/dbraw/zinc/02/53/18/452025318.db2.gz KQZYDVXXQVPQTQ-USXIJHARSA-N 2 2 345.491 1.510 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC([C@@H]4CC[NH2+]C4)CC3)nc[nH+]2)C1 ZINC000643042059 452025324 /nfs/dbraw/zinc/02/53/24/452025324.db2.gz KQZYDVXXQVPQTQ-USXIJHARSA-N 2 2 345.491 1.510 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4OCC[NH2+][C@H]4C3)CC2)[nH+]c1 ZINC000649361296 452042201 /nfs/dbraw/zinc/04/22/01/452042201.db2.gz KAYFOIYWTNYHAF-IRXDYDNUSA-N 2 2 344.459 1.196 20 0 EDADLP O=C(NCCC[C@@H]1CCC[NH2+]1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000647077464 452046267 /nfs/dbraw/zinc/04/62/67/452046267.db2.gz FCVUKMQWGDSAKW-SFHVURJKSA-N 2 2 331.460 1.781 20 0 EDADLP CCO[C@H](C)c1nc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000649414533 452076474 /nfs/dbraw/zinc/07/64/74/452076474.db2.gz FRTYEQIBKPRIIM-CABCVRRESA-N 2 2 338.521 1.968 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000639762381 452100624 /nfs/dbraw/zinc/10/06/24/452100624.db2.gz SGQZXNWLEQEDGD-HNAYVOBHSA-N 2 2 347.459 1.296 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000639762381 452100625 /nfs/dbraw/zinc/10/06/25/452100625.db2.gz SGQZXNWLEQEDGD-HNAYVOBHSA-N 2 2 347.459 1.296 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639763934 452104781 /nfs/dbraw/zinc/10/47/81/452104781.db2.gz DXRAKZGGAQSENW-MJGOQNOKSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639763934 452104784 /nfs/dbraw/zinc/10/47/84/452104784.db2.gz DXRAKZGGAQSENW-MJGOQNOKSA-N 2 2 336.476 1.432 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767226 452108538 /nfs/dbraw/zinc/10/85/38/452108538.db2.gz UCDFKAVHJYRRGW-YLJYHZDGSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767226 452108546 /nfs/dbraw/zinc/10/85/46/452108546.db2.gz UCDFKAVHJYRRGW-YLJYHZDGSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767223 452108833 /nfs/dbraw/zinc/10/88/33/452108833.db2.gz UCDFKAVHJYRRGW-XLIONFOSSA-N 2 2 347.503 1.812 20 0 EDADLP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767223 452108841 /nfs/dbraw/zinc/10/88/41/452108841.db2.gz UCDFKAVHJYRRGW-XLIONFOSSA-N 2 2 347.503 1.812 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1CC(C)(C)O ZINC000651848258 452115428 /nfs/dbraw/zinc/11/54/28/452115428.db2.gz KFVKIBKHHXPUMQ-CQSZACIVSA-N 2 2 334.464 1.066 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1CC(C)(C)O ZINC000651848258 452115431 /nfs/dbraw/zinc/11/54/31/452115431.db2.gz KFVKIBKHHXPUMQ-CQSZACIVSA-N 2 2 334.464 1.066 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc3n(n2)CCC3)nc[nH+]1 ZINC000649510414 452116826 /nfs/dbraw/zinc/11/68/26/452116826.db2.gz CIKJOTJZSNUMCP-HNNXBMFYSA-N 2 2 327.436 1.420 20 0 EDADLP Cc1cc(NC(=O)N(C)Cc2[nH]cc[nH+]2)n(C2CC[NH+](C)CC2)n1 ZINC000639784297 452126647 /nfs/dbraw/zinc/12/66/47/452126647.db2.gz KJQWLDDEXCCVNM-UHFFFAOYSA-N 2 2 331.424 1.845 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641753632 452237339 /nfs/dbraw/zinc/23/73/39/452237339.db2.gz DBIUKETWQPKICX-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@H](C)[N@H+](C)C3CC3)cn21 ZINC000645263100 452241996 /nfs/dbraw/zinc/24/19/96/452241996.db2.gz KOXKLNCTZOSPIN-AWEZNQCLSA-N 2 2 329.448 1.967 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@H](C)[N@@H+](C)C3CC3)cn21 ZINC000645263100 452241999 /nfs/dbraw/zinc/24/19/99/452241999.db2.gz KOXKLNCTZOSPIN-AWEZNQCLSA-N 2 2 329.448 1.967 20 0 EDADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](CO)C1 ZINC000639935449 452247865 /nfs/dbraw/zinc/24/78/65/452247865.db2.gz BTYDCWOQEWYINR-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](CO)C1 ZINC000639935449 452247875 /nfs/dbraw/zinc/24/78/75/452247875.db2.gz BTYDCWOQEWYINR-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CCN(c3nc[nH+]c4c3OCCN4)C2)c1 ZINC000665697047 452252699 /nfs/dbraw/zinc/25/26/99/452252699.db2.gz SNVMDFXGAHPULR-CYBMUJFWSA-N 2 2 326.404 1.923 20 0 EDADLP Cc1cc[nH+]c(NC[C@H]2CCN(c3[nH+]cnc4c3OCCN4)C2)c1 ZINC000665697047 452252705 /nfs/dbraw/zinc/25/27/05/452252705.db2.gz SNVMDFXGAHPULR-CYBMUJFWSA-N 2 2 326.404 1.923 20 0 EDADLP CCn1ccnc1[C@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641785929 452257503 /nfs/dbraw/zinc/25/75/03/452257503.db2.gz MOYVSCCCPVETGA-IRXDYDNUSA-N 2 2 335.496 1.350 20 0 EDADLP Cc1nc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000641788357 452264159 /nfs/dbraw/zinc/26/41/59/452264159.db2.gz YTOYEKKHWSDLCT-HOCLYGCPSA-N 2 2 338.521 1.899 20 0 EDADLP O=C1C[N@H+](Cc2cccc(NCc3c[nH+]c4n3CCC4)c2)CCN1 ZINC000657471923 452268273 /nfs/dbraw/zinc/26/82/73/452268273.db2.gz DIEBVDRBWOFECB-UHFFFAOYSA-N 2 2 325.416 1.373 20 0 EDADLP O=C1C[N@@H+](Cc2cccc(NCc3c[nH+]c4n3CCC4)c2)CCN1 ZINC000657471923 452268280 /nfs/dbraw/zinc/26/82/80/452268280.db2.gz DIEBVDRBWOFECB-UHFFFAOYSA-N 2 2 325.416 1.373 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638023623 452270675 /nfs/dbraw/zinc/27/06/75/452270675.db2.gz OUHPFVWUFAFGJN-UHFFFAOYSA-N 2 2 338.455 1.975 20 0 EDADLP C[C@@]1(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC[NH2+]C1 ZINC000647538217 452271467 /nfs/dbraw/zinc/27/14/67/452271467.db2.gz JFQMCNSULWEMRV-DLBZAZTESA-N 2 2 337.489 1.892 20 0 EDADLP C[C@@]1(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC[NH2+]C1 ZINC000647538217 452271477 /nfs/dbraw/zinc/27/14/77/452271477.db2.gz JFQMCNSULWEMRV-DLBZAZTESA-N 2 2 337.489 1.892 20 0 EDADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000641801142 452275436 /nfs/dbraw/zinc/27/54/36/452275436.db2.gz ALRMTROVXFLIMK-GJZGRUSLSA-N 3 2 336.505 1.108 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647551204 452277091 /nfs/dbraw/zinc/27/70/91/452277091.db2.gz ADKYKEQVSQFBSR-YJBOKZPZSA-N 2 2 330.476 1.761 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000647551606 452280150 /nfs/dbraw/zinc/28/01/50/452280150.db2.gz XRKCZYIYJSFDEG-CGTJXYLNSA-N 2 2 331.460 1.044 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641803922 452280870 /nfs/dbraw/zinc/28/08/70/452280870.db2.gz WDPBRGDBJCNAPB-QZTJIDSGSA-N 3 2 344.503 1.355 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000659440384 452288894 /nfs/dbraw/zinc/28/88/94/452288894.db2.gz NJROLSCZDNTMCN-QGZVFWFLSA-N 2 2 348.491 1.747 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000655504865 452303361 /nfs/dbraw/zinc/30/33/61/452303361.db2.gz LZCVPHUILYOCLQ-CYBMUJFWSA-N 2 2 345.365 1.970 20 0 EDADLP COCCc1ccc(OC[C@H](O)C[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000657530678 452316052 /nfs/dbraw/zinc/31/60/52/452316052.db2.gz FEFCNTRZYLQKHO-QGZVFWFLSA-N 2 2 333.432 1.447 20 0 EDADLP O=C(CCC1C[NH2+]C1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000638049578 452317425 /nfs/dbraw/zinc/31/74/25/452317425.db2.gz MLGNYSZWIJCHBF-UHFFFAOYSA-N 2 2 345.443 1.102 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000641918207 452345495 /nfs/dbraw/zinc/34/54/95/452345495.db2.gz FOISJJDLENWIJF-PIIMJCKOSA-N 2 2 344.459 1.130 20 0 EDADLP COCCc1ncc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000638058758 452349162 /nfs/dbraw/zinc/34/91/62/452349162.db2.gz XDYPUAKKAXIIRR-HNNXBMFYSA-N 2 2 338.521 1.544 20 0 EDADLP COCCc1ncc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000638058758 452349173 /nfs/dbraw/zinc/34/91/73/452349173.db2.gz XDYPUAKKAXIIRR-HNNXBMFYSA-N 2 2 338.521 1.544 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H](C)CO1 ZINC000663623832 452359592 /nfs/dbraw/zinc/35/95/92/452359592.db2.gz HCIHUANRCVQQLO-ZIAGYGMSSA-N 2 2 335.452 1.056 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H](C)CO1 ZINC000663623832 452359597 /nfs/dbraw/zinc/35/95/97/452359597.db2.gz HCIHUANRCVQQLO-ZIAGYGMSSA-N 2 2 335.452 1.056 20 0 EDADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000638063661 452361067 /nfs/dbraw/zinc/36/10/67/452361067.db2.gz OEDVPIHHZZVCMA-VQIMIIECSA-N 2 2 346.475 1.701 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@@H]2c2ccnn2C)CC1 ZINC000649884806 452361849 /nfs/dbraw/zinc/36/18/49/452361849.db2.gz AOJCKFGTWGDESL-GOSISDBHSA-N 2 2 335.496 1.210 20 0 EDADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCOC[C@@H]2c2ccnn2C)CC1 ZINC000649884806 452361856 /nfs/dbraw/zinc/36/18/56/452361856.db2.gz AOJCKFGTWGDESL-GOSISDBHSA-N 2 2 335.496 1.210 20 0 EDADLP C[N@H+](Cc1cc[nH]n1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638065497 452367259 /nfs/dbraw/zinc/36/72/59/452367259.db2.gz VTMRGENSXVKEGC-UHFFFAOYSA-N 2 2 330.432 1.753 20 0 EDADLP C[N@@H+](Cc1cc[nH]n1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000638065497 452367267 /nfs/dbraw/zinc/36/72/67/452367267.db2.gz VTMRGENSXVKEGC-UHFFFAOYSA-N 2 2 330.432 1.753 20 0 EDADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000652172677 452367989 /nfs/dbraw/zinc/36/79/89/452367989.db2.gz HWJUOPVXQCQURP-DAYGRLMNSA-N 2 2 329.448 1.431 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000638068453 452372349 /nfs/dbraw/zinc/37/23/49/452372349.db2.gz LDOYNDRIHYDDKJ-MRXNPFEDSA-N 2 2 328.416 1.342 20 0 EDADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652189047 452386476 /nfs/dbraw/zinc/38/64/76/452386476.db2.gz BCEYEPDNRHQEPQ-KSSFIOAISA-N 2 2 338.448 1.820 20 0 EDADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652189047 452386483 /nfs/dbraw/zinc/38/64/83/452386483.db2.gz BCEYEPDNRHQEPQ-KSSFIOAISA-N 2 2 338.448 1.820 20 0 EDADLP CCC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC1 ZINC000638074456 452387575 /nfs/dbraw/zinc/38/75/75/452387575.db2.gz BCGDMYOHQFJNOC-LJQANCHMSA-N 2 2 346.519 1.779 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000638079284 452396021 /nfs/dbraw/zinc/39/60/21/452396021.db2.gz LUDINZCAXYUXIJ-FUHWJXTLSA-N 2 2 333.432 1.224 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000638079396 452396402 /nfs/dbraw/zinc/39/64/02/452396402.db2.gz NANYANFRZKFKSA-ZBFHGGJFSA-N 2 2 329.510 1.074 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000638079393 452396925 /nfs/dbraw/zinc/39/69/25/452396925.db2.gz NANYANFRZKFKSA-GDBMZVCRSA-N 2 2 329.510 1.074 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccc(OCC(F)(F)F)nn2)CC1 ZINC000663691244 452430459 /nfs/dbraw/zinc/43/04/59/452430459.db2.gz BZISLKUMJYIJMN-UHFFFAOYSA-N 2 2 347.385 1.856 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000654426847 452481391 /nfs/dbraw/zinc/48/13/91/452481391.db2.gz UIWIYBHJHDPNPX-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000654426847 452481394 /nfs/dbraw/zinc/48/13/94/452481394.db2.gz UIWIYBHJHDPNPX-UHFFFAOYSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661709045 452513201 /nfs/dbraw/zinc/51/32/01/452513201.db2.gz ZGJPAOVLSGSIHZ-GPMSIDNRSA-N 2 2 344.459 1.087 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661709045 452513208 /nfs/dbraw/zinc/51/32/08/452513208.db2.gz ZGJPAOVLSGSIHZ-GPMSIDNRSA-N 2 2 344.459 1.087 20 0 EDADLP Cc1cc(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc(C)[nH+]1 ZINC000645552339 452519138 /nfs/dbraw/zinc/51/91/38/452519138.db2.gz CPVVZPKNFRJBEJ-UHFFFAOYSA-N 2 2 332.448 1.705 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000655698812 452519097 /nfs/dbraw/zinc/51/90/97/452519097.db2.gz WMNJBIFNNRJHHJ-ZHALLVOQSA-N 3 2 339.524 1.719 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NCCc2ccc(C(C)C)cc2)C[C@H]1C[NH3+] ZINC000652358011 452537017 /nfs/dbraw/zinc/53/70/17/452537017.db2.gz XXTBZIKQQAXZIY-RTBURBONSA-N 2 2 347.503 1.764 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(C(C)C)cc2)C[C@H]1C[NH3+] ZINC000652358011 452537024 /nfs/dbraw/zinc/53/70/24/452537024.db2.gz XXTBZIKQQAXZIY-RTBURBONSA-N 2 2 347.503 1.764 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814715 452546854 /nfs/dbraw/zinc/54/68/54/452546854.db2.gz AXJLTDNZMUCBBP-CRAIPNDOSA-N 2 2 337.508 1.914 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814715 452546864 /nfs/dbraw/zinc/54/68/64/452546864.db2.gz AXJLTDNZMUCBBP-CRAIPNDOSA-N 2 2 337.508 1.914 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000663830886 452558429 /nfs/dbraw/zinc/55/84/29/452558429.db2.gz PJXNTUZNFGMDES-KBPBESRZSA-N 2 2 339.484 1.509 20 0 EDADLP CO[C@@H]([C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000652370926 452560229 /nfs/dbraw/zinc/56/02/29/452560229.db2.gz WOQNQMVLDKVLAU-UNEWFSDZSA-N 2 2 338.496 1.268 20 0 EDADLP CO[C@@H]([C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000652370926 452560237 /nfs/dbraw/zinc/56/02/37/452560237.db2.gz WOQNQMVLDKVLAU-UNEWFSDZSA-N 2 2 338.496 1.268 20 0 EDADLP c1cnnc(N2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000655760124 452561801 /nfs/dbraw/zinc/56/18/01/452561801.db2.gz XSKDOPHXPIXSNT-KRWDZBQOSA-N 2 2 331.464 1.288 20 0 EDADLP C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CS1 ZINC000655767417 452567021 /nfs/dbraw/zinc/56/70/21/452567021.db2.gz UZIWDBZVZDFXSV-BLNMRFBMSA-N 2 2 325.522 1.944 20 0 EDADLP C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CS1 ZINC000655767417 452567028 /nfs/dbraw/zinc/56/70/28/452567028.db2.gz UZIWDBZVZDFXSV-BLNMRFBMSA-N 2 2 325.522 1.944 20 0 EDADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834962 452571394 /nfs/dbraw/zinc/57/13/94/452571394.db2.gz HDDRTKOXRINVMX-AWEZNQCLSA-N 2 2 332.448 1.053 20 0 EDADLP CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834962 452571403 /nfs/dbraw/zinc/57/14/03/452571403.db2.gz HDDRTKOXRINVMX-AWEZNQCLSA-N 2 2 332.448 1.053 20 0 EDADLP CC(C)N1CCO[C@@H](C[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)C1 ZINC000647867138 452606163 /nfs/dbraw/zinc/60/61/63/452606163.db2.gz AEWRCLXSKHZVQY-INIZCTEOSA-N 2 2 343.475 1.794 20 0 EDADLP Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000647886796 452625295 /nfs/dbraw/zinc/62/52/95/452625295.db2.gz WNUQGPOVOHCXJZ-QZTJIDSGSA-N 2 2 345.487 1.824 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654546447 452627094 /nfs/dbraw/zinc/62/70/94/452627094.db2.gz UHGLJYMFPFQNMK-CVEARBPZSA-N 2 2 336.480 1.167 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654546447 452627101 /nfs/dbraw/zinc/62/71/01/452627101.db2.gz UHGLJYMFPFQNMK-CVEARBPZSA-N 2 2 336.480 1.167 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000654545701 452627848 /nfs/dbraw/zinc/62/78/48/452627848.db2.gz BYZPTMSZEOGRPS-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP O=S(=O)(NCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901424 452643942 /nfs/dbraw/zinc/64/39/42/452643942.db2.gz OGOGXYMBOKJCHN-NVXWUHKLSA-N 2 2 337.489 1.429 20 0 EDADLP O=S(=O)(NCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901424 452643952 /nfs/dbraw/zinc/64/39/52/452643952.db2.gz OGOGXYMBOKJCHN-NVXWUHKLSA-N 2 2 337.489 1.429 20 0 EDADLP CCc1noc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000647918542 452655332 /nfs/dbraw/zinc/65/53/32/452655332.db2.gz FYRZASZSYMKSMS-ZDUSSCGKSA-N 2 2 330.436 1.510 20 0 EDADLP C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)[C@H]1C[N@H+](C)CCO1 ZINC000652464172 452658752 /nfs/dbraw/zinc/65/87/52/452658752.db2.gz MYXOMBKEHVJLDE-BFHYXJOUSA-N 2 2 335.452 1.232 20 0 EDADLP C[C@H](NC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000652464172 452658758 /nfs/dbraw/zinc/65/87/58/452658758.db2.gz MYXOMBKEHVJLDE-BFHYXJOUSA-N 2 2 335.452 1.232 20 0 EDADLP C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925358 452663430 /nfs/dbraw/zinc/66/34/30/452663430.db2.gz FIBMEZCUTJYOBT-LSDHHAIUSA-N 2 2 347.459 1.487 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925667 452664099 /nfs/dbraw/zinc/66/40/99/452664099.db2.gz SDGFQVHQGUJLDG-AWEZNQCLSA-N 2 2 344.459 1.954 20 0 EDADLP COc1cccc(CN(C)C(=O)C[NH+]2CCC(C)([NH3+])CC2)c1OC ZINC000647926739 452664123 /nfs/dbraw/zinc/66/41/23/452664123.db2.gz KVWKRQNOZDDGKN-UHFFFAOYSA-N 2 2 335.448 1.475 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC[C@H]1[NH3+] ZINC000647938643 452679382 /nfs/dbraw/zinc/67/93/82/452679382.db2.gz RBACFYRRHWXRDQ-RBSFLKMASA-N 2 2 333.432 1.002 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC[C@H]1[NH3+] ZINC000647938643 452679392 /nfs/dbraw/zinc/67/93/92/452679392.db2.gz RBACFYRRHWXRDQ-RBSFLKMASA-N 2 2 333.432 1.002 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC000647950501 452693949 /nfs/dbraw/zinc/69/39/49/452693949.db2.gz WYFQGZBJLCWQFC-DLBZAZTESA-N 2 2 330.476 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC000647950501 452693955 /nfs/dbraw/zinc/69/39/55/452693955.db2.gz WYFQGZBJLCWQFC-DLBZAZTESA-N 2 2 330.476 1.814 20 0 EDADLP CCCCNC(=O)C[NH+]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659816170 452706575 /nfs/dbraw/zinc/70/65/75/452706575.db2.gz AOLVELDTTDJLIX-ROUUACIJSA-N 2 2 338.540 1.498 20 0 EDADLP CC(=O)N(C)c1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000666244705 452714433 /nfs/dbraw/zinc/71/44/33/452714433.db2.gz ZZJZRPUUZLLXLX-UHFFFAOYSA-N 2 2 349.479 1.674 20 0 EDADLP CC(=O)N(C)c1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000666244705 452714439 /nfs/dbraw/zinc/71/44/39/452714439.db2.gz ZZJZRPUUZLLXLX-UHFFFAOYSA-N 2 2 349.479 1.674 20 0 EDADLP CCCCCC(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659862745 452741678 /nfs/dbraw/zinc/74/16/78/452741678.db2.gz DKGQLPNYQSLKSL-QGZVFWFLSA-N 2 2 327.513 1.848 20 0 EDADLP CCCCCC(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659862745 452741688 /nfs/dbraw/zinc/74/16/88/452741688.db2.gz DKGQLPNYQSLKSL-QGZVFWFLSA-N 2 2 327.513 1.848 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000654660045 452774233 /nfs/dbraw/zinc/77/42/33/452774233.db2.gz OWYBUPBVVZMCAQ-LLVKDONJSA-N 2 2 329.326 1.777 20 0 EDADLP COc1cccc2c1C[N@@H+]([C@H]1CC(=O)N(CCC[NH+](C)C)C1=O)CC2 ZINC000648047436 452782220 /nfs/dbraw/zinc/78/22/20/452782220.db2.gz YGTAAAJTLUHTFZ-INIZCTEOSA-N 2 2 345.443 1.133 20 0 EDADLP COc1cccc2c1C[N@H+]([C@H]1CC(=O)N(CCC[NH+](C)C)C1=O)CC2 ZINC000648047436 452782231 /nfs/dbraw/zinc/78/22/31/452782231.db2.gz YGTAAAJTLUHTFZ-INIZCTEOSA-N 2 2 345.443 1.133 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C3([NH+](C)C)CC3)cc2)CC1 ZINC000666346217 452794951 /nfs/dbraw/zinc/79/49/51/452794951.db2.gz SJTFSYBPARMKGK-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)C3([NH+](C)C)CC3)cc2)CC1 ZINC000666346217 452794959 /nfs/dbraw/zinc/79/49/59/452794959.db2.gz SJTFSYBPARMKGK-UHFFFAOYSA-N 2 2 330.476 1.857 20 0 EDADLP COCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000654691651 452813642 /nfs/dbraw/zinc/81/36/42/452813642.db2.gz SRRFWWZNUZFTDK-INIZCTEOSA-N 2 2 338.496 1.223 20 0 EDADLP COCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000654691651 452813650 /nfs/dbraw/zinc/81/36/50/452813650.db2.gz SRRFWWZNUZFTDK-INIZCTEOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000654701057 452822451 /nfs/dbraw/zinc/82/24/51/452822451.db2.gz UOLFJMMONWCZIK-CQSZACIVSA-N 2 2 330.432 1.845 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000654701057 452822459 /nfs/dbraw/zinc/82/24/59/452822459.db2.gz UOLFJMMONWCZIK-CQSZACIVSA-N 2 2 330.432 1.845 20 0 EDADLP Cc1cnc(CC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C)c1 ZINC000645838380 452835532 /nfs/dbraw/zinc/83/55/32/452835532.db2.gz QDWYIACCMSAOFT-SFHVURJKSA-N 2 2 330.476 1.655 20 0 EDADLP Cc1cnc(CC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(C)c1 ZINC000645838380 452835540 /nfs/dbraw/zinc/83/55/40/452835540.db2.gz QDWYIACCMSAOFT-SFHVURJKSA-N 2 2 330.476 1.655 20 0 EDADLP Cc1cc(C)nc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000658336813 452853518 /nfs/dbraw/zinc/85/35/18/452853518.db2.gz RGDGKJGKZLYILN-HNNXBMFYSA-N 2 2 349.479 1.025 20 0 EDADLP Cc1cc(C)nc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658336813 452853530 /nfs/dbraw/zinc/85/35/30/452853530.db2.gz RGDGKJGKZLYILN-HNNXBMFYSA-N 2 2 349.479 1.025 20 0 EDADLP Cc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000664196738 452870385 /nfs/dbraw/zinc/87/03/85/452870385.db2.gz NIYASTJLANLJLE-INIZCTEOSA-N 3 2 342.491 1.953 20 0 EDADLP Cc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000664196738 452870393 /nfs/dbraw/zinc/87/03/93/452870393.db2.gz NIYASTJLANLJLE-INIZCTEOSA-N 3 2 342.491 1.953 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000648175649 452886538 /nfs/dbraw/zinc/88/65/38/452886538.db2.gz JLBRCMIYNUPAQX-RDGPPVDQSA-N 2 2 345.487 1.892 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000648175649 452886547 /nfs/dbraw/zinc/88/65/47/452886547.db2.gz JLBRCMIYNUPAQX-RDGPPVDQSA-N 2 2 345.487 1.892 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)nc(C)[nH+]1 ZINC000654762513 452892803 /nfs/dbraw/zinc/89/28/03/452892803.db2.gz CHYHXUMEGDRNAC-SWLSCSKDSA-N 2 2 342.447 1.780 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)nc(C)[nH+]1 ZINC000654762513 452892807 /nfs/dbraw/zinc/89/28/07/452892807.db2.gz CHYHXUMEGDRNAC-SWLSCSKDSA-N 2 2 342.447 1.780 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662159510 452899242 /nfs/dbraw/zinc/89/92/42/452899242.db2.gz IXIOERZYPUEWIT-ZWKOTPCHSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662159510 452899250 /nfs/dbraw/zinc/89/92/50/452899250.db2.gz IXIOERZYPUEWIT-ZWKOTPCHSA-N 2 2 334.460 1.266 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CC[C@@H]3C[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000664233432 452907676 /nfs/dbraw/zinc/90/76/76/452907676.db2.gz NVIHWQAJLIADIK-IAGOWNOFSA-N 2 2 334.508 1.988 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977870 452964933 /nfs/dbraw/zinc/96/49/33/452964933.db2.gz MGFANRHYIPRTNT-SJLPKXTDSA-N 3 2 348.466 1.153 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977870 452964939 /nfs/dbraw/zinc/96/49/39/452964939.db2.gz MGFANRHYIPRTNT-SJLPKXTDSA-N 3 2 348.466 1.153 20 0 EDADLP CCC(C)(C)[NH+]1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000656215460 452968045 /nfs/dbraw/zinc/96/80/45/452968045.db2.gz XXJVJSWVLLBWME-HZPDHXFCSA-N 2 2 347.507 1.994 20 0 EDADLP c1ccc(-c2noc(C3CC[NH+](C[C@H]4C[NH2+]CCO4)CC3)n2)nc1 ZINC000662261083 452990207 /nfs/dbraw/zinc/99/02/07/452990207.db2.gz SOLMUVXBYWOKJB-CQSZACIVSA-N 2 2 329.404 1.299 20 0 EDADLP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000656255358 452992007 /nfs/dbraw/zinc/99/20/07/452992007.db2.gz ILJPEILJUFMWTK-CEXWTWQISA-N 2 2 348.491 1.966 20 0 EDADLP CN(c1nc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cs1)C1CC1 ZINC000662273842 453002250 /nfs/dbraw/zinc/00/22/50/453002250.db2.gz QEVNVMYVJSZIRX-CYBMUJFWSA-N 2 2 336.505 1.929 20 0 EDADLP CN(c1nc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cs1)C1CC1 ZINC000662273842 453002261 /nfs/dbraw/zinc/00/22/61/453002261.db2.gz QEVNVMYVJSZIRX-CYBMUJFWSA-N 2 2 336.505 1.929 20 0 EDADLP COc1cc(NC(=O)CC[N@@H+]2CC3CC2(C[NH3+])C3)cc(OC)c1OC ZINC000662305076 453025318 /nfs/dbraw/zinc/02/53/18/453025318.db2.gz YLCQEEKFKILQHK-UHFFFAOYSA-N 2 2 349.431 1.464 20 0 EDADLP COc1cc(NC(=O)CC[N@H+]2CC3CC2(C[NH3+])C3)cc(OC)c1OC ZINC000662305076 453025327 /nfs/dbraw/zinc/02/53/27/453025327.db2.gz YLCQEEKFKILQHK-UHFFFAOYSA-N 2 2 349.431 1.464 20 0 EDADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103518 453103872 /nfs/dbraw/zinc/10/38/72/453103872.db2.gz WRTSYXMVAKEQOJ-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103518 453103873 /nfs/dbraw/zinc/10/38/73/453103873.db2.gz WRTSYXMVAKEQOJ-INIZCTEOSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1noc(C)c1[C@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664511545 453153542 /nfs/dbraw/zinc/15/35/42/453153542.db2.gz NCKPGJNZAAYFSI-CYBMUJFWSA-N 2 2 339.484 1.578 20 0 EDADLP Cc1noc(C)c1[C@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664511545 453153550 /nfs/dbraw/zinc/15/35/50/453153550.db2.gz NCKPGJNZAAYFSI-CYBMUJFWSA-N 2 2 339.484 1.578 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662449678 453158237 /nfs/dbraw/zinc/15/82/37/453158237.db2.gz PPAQWIHLNVYRSH-QAPCUYQASA-N 2 2 344.503 1.431 20 0 EDADLP CC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000650994934 453171746 /nfs/dbraw/zinc/17/17/46/453171746.db2.gz WTWCZVVCRDOTFA-HOCLYGCPSA-N 2 2 326.485 1.221 20 0 EDADLP O=C(NCc1c[nH+]c[nH]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662468687 453179787 /nfs/dbraw/zinc/17/97/87/453179787.db2.gz RBOIWHPGNVUVGZ-UHFFFAOYSA-N 2 2 327.207 1.767 20 0 EDADLP Cc1[nH]c2ccc(-n3cc(CNC(=O)C4CC[NH2+]CC4)nn3)cc2[nH+]1 ZINC000656438741 453181701 /nfs/dbraw/zinc/18/17/01/453181701.db2.gz DDEJSUXQECNUGP-UHFFFAOYSA-N 2 2 339.403 1.068 20 0 EDADLP Cc1[nH]c2cc(-n3cc(CNC(=O)C4CC[NH2+]CC4)nn3)ccc2[nH+]1 ZINC000656438741 453181710 /nfs/dbraw/zinc/18/17/10/453181710.db2.gz DDEJSUXQECNUGP-UHFFFAOYSA-N 2 2 339.403 1.068 20 0 EDADLP CO[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)[C@@H]1CCOC1 ZINC000656472913 453207268 /nfs/dbraw/zinc/20/72/68/453207268.db2.gz RDOIYBYASQBZJP-DOMZBBRYSA-N 2 2 340.387 1.674 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648719807 453208188 /nfs/dbraw/zinc/20/81/88/453208188.db2.gz MWJIPONXKJGYRW-RBSFLKMASA-N 2 2 337.489 1.578 20 0 EDADLP C[C@@H]1[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CC[N@H+]1C ZINC000648719807 453208198 /nfs/dbraw/zinc/20/81/98/453208198.db2.gz MWJIPONXKJGYRW-RBSFLKMASA-N 2 2 337.489 1.578 20 0 EDADLP C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000646222295 453234978 /nfs/dbraw/zinc/23/49/78/453234978.db2.gz QYGYRSZHYCGSSY-YJBOKZPZSA-N 2 2 331.460 1.006 20 0 EDADLP C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000646222295 453234986 /nfs/dbraw/zinc/23/49/86/453234986.db2.gz QYGYRSZHYCGSSY-YJBOKZPZSA-N 2 2 331.460 1.006 20 0 EDADLP CC(C)c1nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc(N(C)C)[nH+]1 ZINC000664600275 453235059 /nfs/dbraw/zinc/23/50/59/453235059.db2.gz TVWCNAFGRCDXGY-AWEZNQCLSA-N 2 2 334.468 1.096 20 0 EDADLP CC(C)c1nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc(N(C)C)[nH+]1 ZINC000664600275 453235063 /nfs/dbraw/zinc/23/50/63/453235063.db2.gz TVWCNAFGRCDXGY-AWEZNQCLSA-N 2 2 334.468 1.096 20 0 EDADLP CCOc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OCC ZINC000653058747 453235226 /nfs/dbraw/zinc/23/52/26/453235226.db2.gz DRLHERYPWYZAHC-DZGCQCFKSA-N 2 2 337.464 1.940 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cn21 ZINC000646235026 453246419 /nfs/dbraw/zinc/24/64/19/453246419.db2.gz YWPPRRNZFYVYAB-DZGCQCFKSA-N 2 2 329.448 1.812 20 0 EDADLP CN(CC(=O)Nc1cccc(Cl)c1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653073245 453251191 /nfs/dbraw/zinc/25/11/91/453251191.db2.gz WWVDZBFSUNUENG-CYBMUJFWSA-N 2 2 326.828 1.016 20 0 EDADLP CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000653083397 453263913 /nfs/dbraw/zinc/26/39/13/453263913.db2.gz XWKKQKUMJYSFGT-GOEBONIOSA-N 2 2 334.464 1.531 20 0 EDADLP Cc1ccnc(Oc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)n1 ZINC000653099574 453281391 /nfs/dbraw/zinc/28/13/91/453281391.db2.gz UUQPMODDGWLGQB-HNNXBMFYSA-N 2 2 329.404 1.795 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653108778 453293850 /nfs/dbraw/zinc/29/38/50/453293850.db2.gz HIVMUEIBIMKFDV-JKSUJKDBSA-N 2 2 330.432 1.065 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112875 453300052 /nfs/dbraw/zinc/30/00/52/453300052.db2.gz LWMSFYBADFFOFV-ZWKOTPCHSA-N 2 2 329.444 1.988 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000664676332 453309593 /nfs/dbraw/zinc/30/95/93/453309593.db2.gz ZSGZBHWXISPMOU-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000664676332 453309595 /nfs/dbraw/zinc/30/95/95/453309595.db2.gz ZSGZBHWXISPMOU-JKSUJKDBSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C1CCC([NH+]2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)CC1 ZINC000653123324 453315364 /nfs/dbraw/zinc/31/53/64/453315364.db2.gz VGYYFIBXTBIMIL-DAWZGUTISA-N 3 2 338.540 1.624 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)[nH+]1 ZINC000656608097 453315712 /nfs/dbraw/zinc/31/57/12/453315712.db2.gz HYFOJVDAVXZCEP-MRXNPFEDSA-N 2 2 331.464 1.529 20 0 EDADLP c1nc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000656608097 453315717 /nfs/dbraw/zinc/31/57/17/453315717.db2.gz HYFOJVDAVXZCEP-MRXNPFEDSA-N 2 2 331.464 1.529 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653153956 453342343 /nfs/dbraw/zinc/34/23/43/453342343.db2.gz FCYWDCQQBCXSHE-QRTARXTBSA-N 2 2 335.473 1.189 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000653158658 453350750 /nfs/dbraw/zinc/35/07/50/453350750.db2.gz HGSWUFNUPBFONC-HOTGVXAUSA-N 2 2 333.480 1.771 20 0 EDADLP CCn1ccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000651207847 453361810 /nfs/dbraw/zinc/36/18/10/453361810.db2.gz ZVGVEYMKSNKOTR-UHFFFAOYSA-N 2 2 333.480 1.120 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000644379078 453376534 /nfs/dbraw/zinc/37/65/34/453376534.db2.gz KBEROIHOCPJJAN-IBGZPJMESA-N 2 2 342.443 1.752 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@]1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000644379078 453376541 /nfs/dbraw/zinc/37/65/41/453376541.db2.gz KBEROIHOCPJJAN-IBGZPJMESA-N 2 2 342.443 1.752 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000648901067 453379992 /nfs/dbraw/zinc/37/99/92/453379992.db2.gz OLSKQSYMYOKQMB-XHSDSOJGSA-N 2 2 334.464 1.718 20 0 EDADLP Cn1nnc2cc(NC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)ccc21 ZINC000646478146 453424707 /nfs/dbraw/zinc/42/47/07/453424707.db2.gz NPSKZAZQJFMCGD-UHFFFAOYSA-N 2 2 345.451 1.116 20 0 EDADLP C[C@H](CC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000662702986 453426060 /nfs/dbraw/zinc/42/60/60/453426060.db2.gz FXAVIPISEHWBAY-AEFFLSMTSA-N 2 2 337.508 1.583 20 0 EDADLP C[C@@H](CC(=O)N(CC[NH+]1CCOCC1)CC1CC1)C1CC[NH2+]CC1 ZINC000662703502 453426351 /nfs/dbraw/zinc/42/63/51/453426351.db2.gz KXZGOXBMRYWPFQ-INIZCTEOSA-N 2 2 337.508 1.583 20 0 EDADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000646481679 453426490 /nfs/dbraw/zinc/42/64/90/453426490.db2.gz PBBSIUVTUXPFMU-MAUKXSAKSA-N 2 2 331.460 1.683 20 0 EDADLP O=C(c1cccc2c1C[NH2+]C2)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000662709035 453432760 /nfs/dbraw/zinc/43/27/60/453432760.db2.gz AHEFGAQAALKBNE-UHFFFAOYSA-N 2 2 337.423 1.953 20 0 EDADLP CC(C)([NH3+])CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000646556705 453468559 /nfs/dbraw/zinc/46/85/59/453468559.db2.gz OPXHVEVMUZZEHB-CQSZACIVSA-N 2 2 332.448 1.789 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1[nH+]ccn1C ZINC000667256037 453517036 /nfs/dbraw/zinc/51/70/36/453517036.db2.gz CAJKCKRKHSVBJY-WCVJEAGWSA-N 2 2 349.479 1.764 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000660695802 453520883 /nfs/dbraw/zinc/52/08/83/453520883.db2.gz LQSAUIIJADQPTF-YESZJQIVSA-N 2 2 337.508 1.506 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662786292 453521297 /nfs/dbraw/zinc/52/12/97/453521297.db2.gz QWLJFFWHPLFSGX-CYBMUJFWSA-N 2 2 337.221 1.841 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]([NH3+])c2ccc(F)cc2F)C[C@H](C)O1 ZINC000662793224 453528675 /nfs/dbraw/zinc/52/86/75/453528675.db2.gz WHFDNLHXJOQBGZ-BFQNTYOBSA-N 2 2 341.402 1.532 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]([NH3+])c2ccc(F)cc2F)C[C@H](C)O1 ZINC000662793224 453528679 /nfs/dbraw/zinc/52/86/79/453528679.db2.gz WHFDNLHXJOQBGZ-BFQNTYOBSA-N 2 2 341.402 1.532 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000665051405 453556093 /nfs/dbraw/zinc/55/60/93/453556093.db2.gz MDDMANNWVKUNJR-ZWKOTPCHSA-N 2 2 348.491 1.734 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665051405 453556100 /nfs/dbraw/zinc/55/61/00/453556100.db2.gz MDDMANNWVKUNJR-ZWKOTPCHSA-N 2 2 348.491 1.734 20 0 EDADLP C[C@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC000662851304 453570978 /nfs/dbraw/zinc/57/09/78/453570978.db2.gz ZXXZCEKYJATRER-AOIWGVFYSA-N 2 2 329.444 1.098 20 0 EDADLP C[C@]1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC[NH2+]C1 ZINC000662851304 453570981 /nfs/dbraw/zinc/57/09/81/453570981.db2.gz ZXXZCEKYJATRER-AOIWGVFYSA-N 2 2 329.444 1.098 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@@H](C)CO1 ZINC000662860456 453574549 /nfs/dbraw/zinc/57/45/49/453574549.db2.gz RZEIKKICPZBKFZ-YWPYICTPSA-N 2 2 325.840 1.565 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@@H](C)CO1 ZINC000662860456 453574555 /nfs/dbraw/zinc/57/45/55/453574555.db2.gz RZEIKKICPZBKFZ-YWPYICTPSA-N 2 2 325.840 1.565 20 0 EDADLP C[NH2+]C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000659010604 453579565 /nfs/dbraw/zinc/57/95/65/453579565.db2.gz RQVJUOXWMUHILI-CQSZACIVSA-N 2 2 347.463 1.080 20 0 EDADLP CN(C(=O)c1ccccc1CC[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901270 453595264 /nfs/dbraw/zinc/59/52/64/453595264.db2.gz VCDMRVMYVPTTCK-GOSISDBHSA-N 3 2 344.503 1.428 20 0 EDADLP CN(C(=O)c1ccccc1CC[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901270 453595267 /nfs/dbraw/zinc/59/52/67/453595267.db2.gz VCDMRVMYVPTTCK-GOSISDBHSA-N 3 2 344.503 1.428 20 0 EDADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1OC(F)F ZINC000659049268 453600313 /nfs/dbraw/zinc/60/03/13/453600313.db2.gz PABGVYGFWOFUDW-LLVKDONJSA-N 2 2 344.362 1.403 20 0 EDADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1OC(F)F ZINC000659049268 453600317 /nfs/dbraw/zinc/60/03/17/453600317.db2.gz PABGVYGFWOFUDW-LLVKDONJSA-N 2 2 344.362 1.403 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660850041 453607583 /nfs/dbraw/zinc/60/75/83/453607583.db2.gz IMIYNJSOKMJIHV-QGZVFWFLSA-N 2 2 327.432 1.765 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660850041 453607589 /nfs/dbraw/zinc/60/75/89/453607589.db2.gz IMIYNJSOKMJIHV-QGZVFWFLSA-N 2 2 327.432 1.765 20 0 EDADLP CCc1ccc([C@H](C[NH+]2CCOCC2)NCC23CC(C2)C[NH2+]3)cc1 ZINC000665279235 453634175 /nfs/dbraw/zinc/63/41/75/453634175.db2.gz ZVQHZSZYRTTXJX-SYYJFZTOSA-N 2 2 329.488 1.964 20 0 EDADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279235 453634180 /nfs/dbraw/zinc/63/41/80/453634180.db2.gz ZVQHZSZYRTTXJX-SYYJFZTOSA-N 2 2 329.488 1.964 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(F)c1F ZINC000657071542 453661064 /nfs/dbraw/zinc/66/10/64/453661064.db2.gz PXNFDJWTNDJMTL-LBPRGKRZSA-N 2 2 349.447 1.515 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(F)c1F ZINC000657071542 453661067 /nfs/dbraw/zinc/66/10/67/453661067.db2.gz PXNFDJWTNDJMTL-LBPRGKRZSA-N 2 2 349.447 1.515 20 0 EDADLP CC1(C)C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)C[N@@H+]1Cc1ccccc1 ZINC000657143925 453703718 /nfs/dbraw/zinc/70/37/18/453703718.db2.gz JGEZULWBHMDSPO-IRXDYDNUSA-N 2 2 329.448 1.282 20 0 EDADLP CC1(C)C[C@H]([NH2+]C[C@H](O)Cn2ccnn2)C[N@H+]1Cc1ccccc1 ZINC000657143925 453703719 /nfs/dbraw/zinc/70/37/19/453703719.db2.gz JGEZULWBHMDSPO-IRXDYDNUSA-N 2 2 329.448 1.282 20 0 EDADLP COCCOc1ncccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657313869 453763757 /nfs/dbraw/zinc/76/37/57/453763757.db2.gz WMXAJPTXDOMUMH-UHFFFAOYSA-N 2 2 339.399 1.977 20 0 EDADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cnc3n2CCC3)c2ccccc2)CC1 ZINC000657344985 453769789 /nfs/dbraw/zinc/76/97/89/453769789.db2.gz GHJFFFWEAPGVMZ-LJQANCHMSA-N 2 2 339.487 1.908 20 0 EDADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)c2ccccc2)CC1 ZINC000657344985 453769798 /nfs/dbraw/zinc/76/97/98/453769798.db2.gz GHJFFFWEAPGVMZ-LJQANCHMSA-N 3 2 339.487 1.908 20 0 EDADLP OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657369785 453776058 /nfs/dbraw/zinc/77/60/58/453776058.db2.gz FLXLKLSJFSUXRA-MJGOQNOKSA-N 2 2 340.471 1.802 20 0 EDADLP CC1(O)CCN(c2cc(NC3CC[NH+](C4CC4)CC3)nc[nH+]2)CC1 ZINC000663369339 453781336 /nfs/dbraw/zinc/78/13/36/453781336.db2.gz AEIISIXCQUKCFA-UHFFFAOYSA-N 2 2 331.464 1.867 20 0 EDADLP CC1(O)CCN(c2cc(NC3CC[NH+](C4CC4)CC3)[nH+]cn2)CC1 ZINC000663369339 453781340 /nfs/dbraw/zinc/78/13/40/453781340.db2.gz AEIISIXCQUKCFA-UHFFFAOYSA-N 2 2 331.464 1.867 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccnn2CC2CC2)C1=O ZINC000657431637 453785698 /nfs/dbraw/zinc/78/56/98/453785698.db2.gz HPWKYNNVQUWMIV-INIZCTEOSA-N 2 2 342.447 1.307 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000676111781 486670260 /nfs/dbraw/zinc/67/02/60/486670260.db2.gz VRLDUTAJXWWCFY-NVXWUHKLSA-N 2 2 330.476 1.860 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000676111781 486670262 /nfs/dbraw/zinc/67/02/62/486670262.db2.gz VRLDUTAJXWWCFY-NVXWUHKLSA-N 2 2 330.476 1.860 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000671623765 486681489 /nfs/dbraw/zinc/68/14/89/486681489.db2.gz VCFHCENOMZEEIT-BPLDGKMQSA-N 2 2 325.416 1.555 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1F ZINC000163770802 486696349 /nfs/dbraw/zinc/69/63/49/486696349.db2.gz KOBMGCHMQXQXLX-ZBFHGGJFSA-N 2 2 335.423 1.606 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000676287476 486721708 /nfs/dbraw/zinc/72/17/08/486721708.db2.gz SOGAMFFHJFQCCU-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000676287476 486721711 /nfs/dbraw/zinc/72/17/11/486721711.db2.gz SOGAMFFHJFQCCU-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676287476 486721713 /nfs/dbraw/zinc/72/17/13/486721713.db2.gz SOGAMFFHJFQCCU-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676287476 486721716 /nfs/dbraw/zinc/72/17/16/486721716.db2.gz SOGAMFFHJFQCCU-JQHSSLGASA-N 2 2 331.460 1.486 20 0 EDADLP COc1ccc(C[C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(C)c1OC ZINC000671743944 486739464 /nfs/dbraw/zinc/73/94/64/486739464.db2.gz GUKDQVKUFXWDQA-AWEZNQCLSA-N 2 2 349.475 1.307 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000667423362 486773955 /nfs/dbraw/zinc/77/39/55/486773955.db2.gz MXEULRIACRHHOG-BZUAXINKSA-N 2 2 332.448 1.237 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000667423362 486773962 /nfs/dbraw/zinc/77/39/62/486773962.db2.gz MXEULRIACRHHOG-BZUAXINKSA-N 2 2 332.448 1.237 20 0 EDADLP c1ncn(-c2ccccc2C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000670271198 486775818 /nfs/dbraw/zinc/77/58/18/486775818.db2.gz OGOGFOAGLLMDLY-QGZVFWFLSA-N 2 2 341.459 1.812 20 0 EDADLP c1ncn(-c2ccccc2C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000670271198 486775823 /nfs/dbraw/zinc/77/58/23/486775823.db2.gz OGOGFOAGLLMDLY-QGZVFWFLSA-N 2 2 341.459 1.812 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC[C@@H]3CNc4ccnn4C3)[nH+]c2)C1 ZINC000676497493 486786458 /nfs/dbraw/zinc/78/64/58/486786458.db2.gz BNELTPDPPYWCGN-GDBMZVCRSA-N 2 2 341.463 1.572 20 0 EDADLP c1nc(C2CC2)c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000683770113 486815157 /nfs/dbraw/zinc/81/51/57/486815157.db2.gz KPDHCOZPCKTMBB-HNNXBMFYSA-N 2 2 336.505 1.517 20 0 EDADLP CCCc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000680580347 486818894 /nfs/dbraw/zinc/81/88/94/486818894.db2.gz ZNORXBUGRRNOQL-OAHLLOKOSA-N 2 2 334.464 1.868 20 0 EDADLP CCCc1nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000680580347 486818901 /nfs/dbraw/zinc/81/89/01/486818901.db2.gz ZNORXBUGRRNOQL-OAHLLOKOSA-N 2 2 334.464 1.868 20 0 EDADLP CO[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000684366659 487039427 /nfs/dbraw/zinc/03/94/27/487039427.db2.gz FZUUDXUXHLKUIB-IAGOWNOFSA-N 2 2 333.480 1.536 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000673631613 487072442 /nfs/dbraw/zinc/07/24/42/487072442.db2.gz KLQYEFSBGOBMRR-UHFFFAOYSA-N 2 2 345.487 1.990 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673669310 487084127 /nfs/dbraw/zinc/08/41/27/487084127.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 3 2 336.524 1.486 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673669310 487084129 /nfs/dbraw/zinc/08/41/29/487084129.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 3 2 336.524 1.486 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673669310 487084135 /nfs/dbraw/zinc/08/41/35/487084135.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 3 2 336.524 1.486 20 0 EDADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673669310 487084139 /nfs/dbraw/zinc/08/41/39/487084139.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 3 2 336.524 1.486 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]c12 ZINC000673774827 487110759 /nfs/dbraw/zinc/11/07/59/487110759.db2.gz HRHFQVPHGJGLTK-OAHLLOKOSA-N 2 2 327.432 1.721 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)[nH+]c12 ZINC000673774827 487110766 /nfs/dbraw/zinc/11/07/66/487110766.db2.gz HRHFQVPHGJGLTK-OAHLLOKOSA-N 2 2 327.432 1.721 20 0 EDADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)[NH+]1CCOCC1 ZINC000681788129 487167839 /nfs/dbraw/zinc/16/78/39/487167839.db2.gz CEONKTMLQBEGCX-ZACQAIPSSA-N 2 2 325.497 1.722 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)NCC(F)(F)F ZINC000681826784 487188004 /nfs/dbraw/zinc/18/80/04/487188004.db2.gz BWTYQEHJDBIHBF-NSHDSACASA-N 2 2 330.354 1.687 20 0 EDADLP O=C(C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)NCC(F)(F)F ZINC000681826784 487188006 /nfs/dbraw/zinc/18/80/06/487188006.db2.gz BWTYQEHJDBIHBF-NSHDSACASA-N 2 2 330.354 1.687 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCCN2CCCS2(=O)=O)n1-c1ccccc1 ZINC000674488561 487266331 /nfs/dbraw/zinc/26/63/31/487266331.db2.gz BJINEQWUCHGQJP-UHFFFAOYSA-N 2 2 348.472 1.696 20 0 EDADLP CN(C(=O)c1snnc1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785990 487323401 /nfs/dbraw/zinc/32/34/01/487323401.db2.gz PSSJQOQXHFBNFP-CQSZACIVSA-N 2 2 349.504 1.656 20 0 EDADLP CN(C(=O)c1snnc1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785990 487323404 /nfs/dbraw/zinc/32/34/04/487323404.db2.gz PSSJQOQXHFBNFP-CQSZACIVSA-N 2 2 349.504 1.656 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C[C@@H]1C ZINC000685797640 487325404 /nfs/dbraw/zinc/32/54/04/487325404.db2.gz FZPNPGQVGWZVPC-GOEBONIOSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C[C@@H]1C ZINC000685797640 487325405 /nfs/dbraw/zinc/32/54/05/487325405.db2.gz FZPNPGQVGWZVPC-GOEBONIOSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C[C@@H]1C ZINC000685797640 487325408 /nfs/dbraw/zinc/32/54/08/487325408.db2.gz FZPNPGQVGWZVPC-GOEBONIOSA-N 2 2 349.479 1.036 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C[C@@H]1C ZINC000685797640 487325409 /nfs/dbraw/zinc/32/54/09/487325409.db2.gz FZPNPGQVGWZVPC-GOEBONIOSA-N 2 2 349.479 1.036 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000533833012 487351913 /nfs/dbraw/zinc/35/19/13/487351913.db2.gz QPGMIRCHJBOXPI-INIZCTEOSA-N 2 2 334.383 1.579 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000533833012 487351916 /nfs/dbraw/zinc/35/19/16/487351916.db2.gz QPGMIRCHJBOXPI-INIZCTEOSA-N 2 2 334.383 1.579 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccccc1 ZINC000678770354 487361937 /nfs/dbraw/zinc/36/19/37/487361937.db2.gz MVSXYTZNEATNPS-HZPDHXFCSA-N 2 2 333.457 1.871 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682494175 487375574 /nfs/dbraw/zinc/37/55/74/487375574.db2.gz PVEVARXPOWEZDF-DLBZAZTESA-N 2 2 345.491 1.074 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682494175 487375576 /nfs/dbraw/zinc/37/55/76/487375576.db2.gz PVEVARXPOWEZDF-DLBZAZTESA-N 2 2 345.491 1.074 20 0 EDADLP CCc1cnccc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679295461 487410128 /nfs/dbraw/zinc/41/01/28/487410128.db2.gz QZFCQHXEASXEKZ-KRWDZBQOSA-N 2 2 345.491 1.612 20 0 EDADLP CCc1cnccc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679295461 487410131 /nfs/dbraw/zinc/41/01/31/487410131.db2.gz QZFCQHXEASXEKZ-KRWDZBQOSA-N 2 2 345.491 1.612 20 0 EDADLP COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1F ZINC000675637136 487430795 /nfs/dbraw/zinc/43/07/95/487430795.db2.gz IRDMIPLQOTVQMF-AWEZNQCLSA-N 2 2 335.423 1.733 20 0 EDADLP COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1F ZINC000675637136 487430796 /nfs/dbraw/zinc/43/07/96/487430796.db2.gz IRDMIPLQOTVQMF-AWEZNQCLSA-N 2 2 335.423 1.733 20 0 EDADLP COC1(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCOCC1 ZINC000683202839 487459912 /nfs/dbraw/zinc/45/99/12/487459912.db2.gz WULNPQUICDOEEM-INIZCTEOSA-N 2 2 347.459 1.799 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)[nH+]c12 ZINC000669512043 485476788 /nfs/dbraw/zinc/47/67/88/485476788.db2.gz SRMBWUYACDZVDQ-HUUCEWRRSA-N 2 2 329.448 1.954 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nc12 ZINC000324362298 485545248 /nfs/dbraw/zinc/54/52/48/485545248.db2.gz IMWHRTHJMACYKM-WBVHZDCISA-N 2 2 326.444 1.967 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)nc12 ZINC000324362298 485545255 /nfs/dbraw/zinc/54/52/55/485545255.db2.gz IMWHRTHJMACYKM-WBVHZDCISA-N 2 2 326.444 1.967 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000669556290 485558877 /nfs/dbraw/zinc/55/88/77/485558877.db2.gz AGXAUGFIBVTCSM-DVJZZOLTSA-N 2 2 344.381 1.886 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000669556290 485558882 /nfs/dbraw/zinc/55/88/82/485558882.db2.gz AGXAUGFIBVTCSM-DVJZZOLTSA-N 2 2 344.381 1.886 20 0 EDADLP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000324638226 485581897 /nfs/dbraw/zinc/58/18/97/485581897.db2.gz WOQMTRYDFORHQR-AEFFLSMTSA-N 2 2 329.444 1.197 20 0 EDADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000325133680 485649358 /nfs/dbraw/zinc/64/93/58/485649358.db2.gz OLJQFCYZYMFMDZ-ZWKOTPCHSA-N 2 2 329.444 1.024 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669165618 485761850 /nfs/dbraw/zinc/76/18/50/485761850.db2.gz YBBGGUHURBKBID-DLBZAZTESA-N 2 2 343.475 1.965 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345750666 485980544 /nfs/dbraw/zinc/98/05/44/485980544.db2.gz BGQLMGWADWXJAE-SJORKVTESA-N 2 2 334.464 1.479 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)C[C@@H]1C ZINC000413208662 486020630 /nfs/dbraw/zinc/02/06/30/486020630.db2.gz DVDUTHJQCGEUMZ-JONQDZQNSA-N 2 2 333.480 1.603 20 0 EDADLP CC[N@H+]1C[C@H](C)N(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)C[C@@H]1C ZINC000413208662 486020636 /nfs/dbraw/zinc/02/06/36/486020636.db2.gz DVDUTHJQCGEUMZ-JONQDZQNSA-N 2 2 333.480 1.603 20 0 EDADLP O=C(NC1CC1)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668739703 486111962 /nfs/dbraw/zinc/11/19/62/486111962.db2.gz BIRDHMFBGPRVJS-IBGZPJMESA-N 2 2 343.471 1.610 20 0 EDADLP O=C(NC1CC1)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668739703 486111966 /nfs/dbraw/zinc/11/19/66/486111966.db2.gz BIRDHMFBGPRVJS-IBGZPJMESA-N 2 2 343.471 1.610 20 0 EDADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000669486565 486252830 /nfs/dbraw/zinc/25/28/30/486252830.db2.gz BFIWZOJERYEXPR-GOSISDBHSA-N 2 2 325.416 1.767 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000668846568 486255844 /nfs/dbraw/zinc/25/58/44/486255844.db2.gz YKVWBSRPTOJGNF-BPQIPLTHSA-N 2 2 346.475 1.357 20 0 EDADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000669494905 486267547 /nfs/dbraw/zinc/26/75/47/486267547.db2.gz VARWMLZVPIOMGV-SOLBZPMBSA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000669494905 486267553 /nfs/dbraw/zinc/26/75/53/486267553.db2.gz VARWMLZVPIOMGV-SOLBZPMBSA-N 2 2 346.475 1.279 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@@H]1CCC[NH2+]CC1 ZINC000668931529 486357180 /nfs/dbraw/zinc/35/71/80/486357180.db2.gz HPDFXCPPGVFIMT-QGZVFWFLSA-N 2 2 327.432 1.873 20 0 EDADLP CC1(C)CN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@@H+]1CCO ZINC000672781371 491013911 /nfs/dbraw/zinc/01/39/11/491013911.db2.gz GDDFXFUKAYAZET-UHFFFAOYSA-N 2 2 346.475 1.100 20 0 EDADLP CC1(C)CN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@H+]1CCO ZINC000672781371 491013912 /nfs/dbraw/zinc/01/39/12/491013912.db2.gz GDDFXFUKAYAZET-UHFFFAOYSA-N 2 2 346.475 1.100 20 0 EDADLP COC1CC[NH+](CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000079998961 491169475 /nfs/dbraw/zinc/16/94/75/491169475.db2.gz MCLKGPJPABIFJR-UHFFFAOYSA-N 2 2 342.443 1.772 20 0 EDADLP C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000187486073 534311990 /nfs/dbraw/zinc/31/19/90/534311990.db2.gz BKMIIOOFODCBJF-OAHLLOKOSA-N 2 2 349.479 1.370 20 0 EDADLP C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000187486073 534311991 /nfs/dbraw/zinc/31/19/91/534311991.db2.gz BKMIIOOFODCBJF-OAHLLOKOSA-N 2 2 349.479 1.370 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)NCC(F)(F)C[NH3+])cn2c1 ZINC000190196670 534506029 /nfs/dbraw/zinc/50/60/29/534506029.db2.gz LPMZAPCILVEODV-UHFFFAOYSA-N 2 2 328.388 1.586 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363370952 520825942 /nfs/dbraw/zinc/82/59/42/520825942.db2.gz VARRAANPLKKVKB-AWEZNQCLSA-N 2 2 330.436 1.797 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[C@H]2CCC[NH2+]2)c2[nH+]ccn2C)c1 ZINC000370763460 524097834 /nfs/dbraw/zinc/09/78/34/524097834.db2.gz LIMYMRDUUMOUNF-RHSMWYFYSA-N 2 2 328.416 1.776 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000264141955 535489974 /nfs/dbraw/zinc/48/99/74/535489974.db2.gz QJPDFNBPTIHKDP-UHFFFAOYSA-N 2 2 347.459 1.459 20 0 EDADLP CC[C@@H](C)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000133562930 535525157 /nfs/dbraw/zinc/52/51/57/535525157.db2.gz FICCBRIBLVSXSW-CVEARBPZSA-N 2 2 333.480 1.918 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000340049516 535563636 /nfs/dbraw/zinc/56/36/36/535563636.db2.gz YCOLGIMBMMCVMK-HUUCEWRRSA-N 2 2 349.541 1.135 20 0 EDADLP CCOC(=O)C1(O)CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346225560 535588709 /nfs/dbraw/zinc/58/87/09/535588709.db2.gz RPWVSFSLWMVZPN-UHFFFAOYSA-N 2 2 335.429 1.824 20 0 EDADLP C[NH+](C)Cc1cnc(CN2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000347683344 536054962 /nfs/dbraw/zinc/05/49/62/536054962.db2.gz ZWXWBOGOOIJLIC-UHFFFAOYSA-N 2 2 331.489 1.918 20 0 EDADLP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352731967 536059522 /nfs/dbraw/zinc/05/95/22/536059522.db2.gz LPDHGSKUIKIKNA-ZFWWWQNUSA-N 2 2 335.477 1.948 20 0 EDADLP Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1=O ZINC000352705704 536059636 /nfs/dbraw/zinc/05/96/36/536059636.db2.gz MYLXAKJDFFELDK-CYBMUJFWSA-N 2 2 348.476 1.223 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CC(F)F)CC2)s1 ZINC000345747794 536174794 /nfs/dbraw/zinc/17/47/94/536174794.db2.gz BHXAJEKPXDZALL-CYBMUJFWSA-N 2 2 331.432 1.937 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000346787017 536330167 /nfs/dbraw/zinc/33/01/67/536330167.db2.gz GDDACBQGPHIOAO-XEZPLFJOSA-N 2 2 325.478 1.728 20 0 EDADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000346787017 536330168 /nfs/dbraw/zinc/33/01/68/536330168.db2.gz GDDACBQGPHIOAO-XEZPLFJOSA-N 2 2 325.478 1.728 20 0 EDADLP COC(=O)N1CC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000271518618 536405272 /nfs/dbraw/zinc/40/52/72/536405272.db2.gz PBVLCAHCYMUJOQ-UHFFFAOYSA-N 2 2 335.423 1.873 20 0 EDADLP COc1ccc(C[C@@](C)([NH3+])CNc2ncnc3c2C[N@H+](C)CC3)cc1 ZINC000270992033 536512552 /nfs/dbraw/zinc/51/25/52/536512552.db2.gz UNNQKXUUFNEKTB-LJQANCHMSA-N 2 2 341.459 1.845 20 0 EDADLP COc1ccc(C[C@@](C)([NH3+])CNc2ncnc3c2C[N@@H+](C)CC3)cc1 ZINC000270992033 536512557 /nfs/dbraw/zinc/51/25/57/536512557.db2.gz UNNQKXUUFNEKTB-LJQANCHMSA-N 2 2 341.459 1.845 20 0 EDADLP COc1cc(OC)c(OC)cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261645189 536866787 /nfs/dbraw/zinc/86/67/87/536866787.db2.gz IWSRARBGRQZIHQ-OAHLLOKOSA-N 2 2 335.448 1.192 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=S)NCCC[NH+]1CCOCC1 ZINC000741483796 579419431 /nfs/dbraw/zinc/41/94/31/579419431.db2.gz NQBNUVFJMFCBGE-UHFFFAOYSA-N 2 2 339.509 1.158 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000741784490 579428189 /nfs/dbraw/zinc/42/81/89/579428189.db2.gz GCNWATANOFJJEA-WSTZPKSXSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccccc1[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000741784490 579428190 /nfs/dbraw/zinc/42/81/90/579428190.db2.gz GCNWATANOFJJEA-WSTZPKSXSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccccc1[C@H](O)C[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000741784490 579428191 /nfs/dbraw/zinc/42/81/91/579428191.db2.gz GCNWATANOFJJEA-WSTZPKSXSA-N 2 2 347.503 1.365 20 0 EDADLP Cc1ccccc1[C@H](O)C[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000741784490 579428192 /nfs/dbraw/zinc/42/81/92/579428192.db2.gz GCNWATANOFJJEA-WSTZPKSXSA-N 2 2 347.503 1.365 20 0 EDADLP C[NH+](C)Cc1ccc(N2CC[NH+](CN3C(=O)CC34CCC4)CC2)nc1 ZINC000743368450 579477577 /nfs/dbraw/zinc/47/75/77/579477577.db2.gz VVBUAOFMXAVDTK-UHFFFAOYSA-N 2 2 343.475 1.378 20 0 EDADLP C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCCCC1)N1CC[NH+](C)CC1 ZINC000725892769 578299757 /nfs/dbraw/zinc/29/97/57/578299757.db2.gz ZKVRVXHPXBFOSQ-INIZCTEOSA-N 2 2 345.491 1.324 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000726260752 578340580 /nfs/dbraw/zinc/34/05/80/578340580.db2.gz YGMPWZPNTQDAHT-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000726260752 578340581 /nfs/dbraw/zinc/34/05/81/578340581.db2.gz YGMPWZPNTQDAHT-HZPDHXFCSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000729621725 578585488 /nfs/dbraw/zinc/58/54/88/578585488.db2.gz SBNVVEBXRYATSC-GOSISDBHSA-N 2 2 348.491 1.133 20 0 EDADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000729621725 578585490 /nfs/dbraw/zinc/58/54/90/578585490.db2.gz SBNVVEBXRYATSC-GOSISDBHSA-N 2 2 348.491 1.133 20 0 EDADLP C[N@H+](CCCN1CCOC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000729926947 578597791 /nfs/dbraw/zinc/59/77/91/578597791.db2.gz ZUNVRALSQYKZCI-UHFFFAOYSA-N 2 2 335.452 1.122 20 0 EDADLP C[N@@H+](CCCN1CCOC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000729926947 578597793 /nfs/dbraw/zinc/59/77/93/578597793.db2.gz ZUNVRALSQYKZCI-UHFFFAOYSA-N 2 2 335.452 1.122 20 0 EDADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000732456362 578713617 /nfs/dbraw/zinc/71/36/17/578713617.db2.gz OVAJUASOROOTLY-MRXNPFEDSA-N 2 2 327.517 1.044 20 0 EDADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000732456362 578713618 /nfs/dbraw/zinc/71/36/18/578713618.db2.gz OVAJUASOROOTLY-MRXNPFEDSA-N 2 2 327.517 1.044 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000732459552 578713634 /nfs/dbraw/zinc/71/36/34/578713634.db2.gz XAIYLKRZAVAOPS-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000732459552 578713637 /nfs/dbraw/zinc/71/36/37/578713637.db2.gz XAIYLKRZAVAOPS-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000732459552 578713639 /nfs/dbraw/zinc/71/36/39/578713639.db2.gz XAIYLKRZAVAOPS-IAGOWNOFSA-N 2 2 348.491 1.527 20 0 EDADLP CC(C)OCC[C@H](O)C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000788074555 578954512 /nfs/dbraw/zinc/95/45/12/578954512.db2.gz SUUFULKHFJMVII-AWEZNQCLSA-N 2 2 329.510 1.661 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC000736224697 578964668 /nfs/dbraw/zinc/96/46/68/578964668.db2.gz AAXGMJDLPGKLMU-KGLIPLIRSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccccc2-c2nn[nH]n2)CC[N@H+]1C ZINC000736224697 578964669 /nfs/dbraw/zinc/96/46/69/578964669.db2.gz AAXGMJDLPGKLMU-KGLIPLIRSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccccc2-c2nn[nH]n2)CC[NH+]1C ZINC000736224697 578964670 /nfs/dbraw/zinc/96/46/70/578964670.db2.gz AAXGMJDLPGKLMU-KGLIPLIRSA-N 2 2 330.436 1.660 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2-c2nn[nH]n2)CC[NH+]1C ZINC000736224697 578964671 /nfs/dbraw/zinc/96/46/71/578964671.db2.gz AAXGMJDLPGKLMU-KGLIPLIRSA-N 2 2 330.436 1.660 20 0 EDADLP COc1c(C)c[nH+]c(CN2CC[NH+](CC[S@](C)=O)CC2)c1C ZINC000755954538 578999771 /nfs/dbraw/zinc/99/97/71/578999771.db2.gz CAWZLIJJDMLYRI-QFIPXVFZSA-N 2 2 325.478 1.203 20 0 EDADLP CN(C(=O)c1csc2cncn21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000746252352 579582042 /nfs/dbraw/zinc/58/20/42/579582042.db2.gz CJFZVQKRAGMROD-AWEZNQCLSA-N 2 2 347.488 1.636 20 0 EDADLP CN(C(=O)c1csc2cncn21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000746252352 579582043 /nfs/dbraw/zinc/58/20/43/579582043.db2.gz CJFZVQKRAGMROD-AWEZNQCLSA-N 2 2 347.488 1.636 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000747531070 579647784 /nfs/dbraw/zinc/64/77/84/579647784.db2.gz CQTDJNWHHYFSGL-MOPGFXCFSA-N 2 2 345.487 1.728 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000747531070 579647785 /nfs/dbraw/zinc/64/77/85/579647785.db2.gz CQTDJNWHHYFSGL-MOPGFXCFSA-N 2 2 345.487 1.728 20 0 EDADLP COC(=O)CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C[C@H]1CCCO1 ZINC000750046615 579749818 /nfs/dbraw/zinc/74/98/18/579749818.db2.gz FBAOMYSHYCMRPT-MRXNPFEDSA-N 2 2 344.415 1.811 20 0 EDADLP COC(=O)CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C[C@H]1CCCO1 ZINC000750046615 579749820 /nfs/dbraw/zinc/74/98/20/579749820.db2.gz FBAOMYSHYCMRPT-MRXNPFEDSA-N 2 2 344.415 1.811 20 0 EDADLP Cc1nc2[nH]ccc2c(NC2CC[NH+](CCS(C)(=O)=O)CC2)[nH+]1 ZINC000751226526 579798073 /nfs/dbraw/zinc/79/80/73/579798073.db2.gz XYXMLVKIKVAKCY-UHFFFAOYSA-N 2 2 337.449 1.187 20 0 EDADLP CN(C(=O)c1ncccn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755216050 579922983 /nfs/dbraw/zinc/92/29/83/579922983.db2.gz ZLJCFSFJNORMEG-IAGOWNOFSA-N 2 2 345.491 1.886 20 0 EDADLP CN(C(=O)c1ncccn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755216050 579922984 /nfs/dbraw/zinc/92/29/84/579922984.db2.gz ZLJCFSFJNORMEG-IAGOWNOFSA-N 2 2 345.491 1.886 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000765279425 580139177 /nfs/dbraw/zinc/13/91/77/580139177.db2.gz MHYOULMREYOHKY-HOCLYGCPSA-N 2 2 337.489 1.321 20 0 EDADLP C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)C[N@H+]1C1CC1 ZINC000765279425 580139178 /nfs/dbraw/zinc/13/91/78/580139178.db2.gz MHYOULMREYOHKY-HOCLYGCPSA-N 2 2 337.489 1.321 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000765646856 580147165 /nfs/dbraw/zinc/14/71/65/580147165.db2.gz KOBINCDBJDXINI-CABCVRRESA-N 2 2 342.447 1.891 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1C ZINC000765646856 580147166 /nfs/dbraw/zinc/14/71/66/580147166.db2.gz KOBINCDBJDXINI-CABCVRRESA-N 2 2 342.447 1.891 20 0 EDADLP CN(C)c1[nH+]cc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)n1C ZINC000766407916 580166211 /nfs/dbraw/zinc/16/62/11/580166211.db2.gz WLAXQAJJFLMNKV-UHFFFAOYSA-N 2 2 328.424 1.993 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000767843711 580201850 /nfs/dbraw/zinc/20/18/50/580201850.db2.gz VLZCSEFDJUZRBP-SOUVJXGZSA-N 2 2 335.452 1.028 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000767843711 580201851 /nfs/dbraw/zinc/20/18/51/580201851.db2.gz VLZCSEFDJUZRBP-SOUVJXGZSA-N 2 2 335.452 1.028 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CC[NH+](Cc3ccc4c(c3)nnn4C)CC2)S1 ZINC000768548478 580215929 /nfs/dbraw/zinc/21/59/29/580215929.db2.gz FDBVYUZRTLYNCT-GFCCVEGCSA-N 2 2 330.461 1.577 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cccc3[nH+]ccn32)C[C@@H](C)O1 ZINC000770062054 580252166 /nfs/dbraw/zinc/25/21/66/580252166.db2.gz KIDBWLVLXQKUIW-ZIAGYGMSSA-N 2 2 330.432 1.952 20 0 EDADLP O=C(C[NH2+][C@@H](CCO)C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000771799776 580294401 /nfs/dbraw/zinc/29/44/01/580294401.db2.gz LTYIBFNTZBLHAB-INIZCTEOSA-N 2 2 337.489 1.143 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCOCC3(CCCC3)C2)C1 ZINC000774659709 580369189 /nfs/dbraw/zinc/36/91/89/580369189.db2.gz ULUNPRCFNLBCMG-HNNXBMFYSA-N 2 2 332.448 1.586 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCOCC3(CCCC3)C2)C1 ZINC000774659709 580369190 /nfs/dbraw/zinc/36/91/90/580369190.db2.gz ULUNPRCFNLBCMG-HNNXBMFYSA-N 2 2 332.448 1.586 20 0 EDADLP Cn1cncc1CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779646612 580492587 /nfs/dbraw/zinc/49/25/87/580492587.db2.gz SBKOXKWHWPBTNH-MRXNPFEDSA-N 2 2 329.404 1.320 20 0 EDADLP Cn1cncc1CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779646612 580492588 /nfs/dbraw/zinc/49/25/88/580492588.db2.gz SBKOXKWHWPBTNH-MRXNPFEDSA-N 2 2 329.404 1.320 20 0 EDADLP CC(C)([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CCOCC1 ZINC000786161818 580663216 /nfs/dbraw/zinc/66/32/16/580663216.db2.gz UVNVOHZQSXXXHJ-UHFFFAOYSA-N 2 2 349.475 1.719 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)[C@H](C)C1 ZINC000787303951 580692323 /nfs/dbraw/zinc/69/23/23/580692323.db2.gz NOZNFAPRNMTOEP-CVEARBPZSA-N 2 2 334.526 1.536 20 0 EDADLP NC(=O)C1([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000792871681 580829839 /nfs/dbraw/zinc/82/98/39/580829839.db2.gz LABWXZNJYUPSBF-QGZVFWFLSA-N 2 2 331.460 1.665 20 0 EDADLP NC(=O)C1([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000792871681 580829840 /nfs/dbraw/zinc/82/98/40/580829840.db2.gz LABWXZNJYUPSBF-QGZVFWFLSA-N 2 2 331.460 1.665 20 0 EDADLP O=C1C[C@H](C(F)F)CN1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000795430552 580922401 /nfs/dbraw/zinc/92/24/01/580922401.db2.gz ZXOUBYIRFCIQIR-HNNXBMFYSA-N 2 2 345.434 1.492 20 0 EDADLP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795667331 580933421 /nfs/dbraw/zinc/93/34/21/580933421.db2.gz RVQBRRYIXPZNMG-GODNBWANSA-N 2 2 338.448 1.594 20 0 EDADLP C[NH+](C/C=C/C[N@H+](C)[C@@H]1CC(C)(C)OC1=O)[C@@H]1CC(C)(C)OC1=O ZINC000795667331 580933422 /nfs/dbraw/zinc/93/34/22/580933422.db2.gz RVQBRRYIXPZNMG-GODNBWANSA-N 2 2 338.448 1.594 20 0 EDADLP COCCCn1nccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000801721150 581083428 /nfs/dbraw/zinc/08/34/28/581083428.db2.gz FYRFOUGJCLWOND-SFHVURJKSA-N 2 2 336.480 1.653 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000891886176 590669864 /nfs/dbraw/zinc/66/98/64/590669864.db2.gz JPIDGLWGLLOOBU-UHFFFAOYSA-N 2 2 331.464 1.964 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C3CC3)C2)c1 ZINC000892029927 590758518 /nfs/dbraw/zinc/75/85/18/590758518.db2.gz YLBNBTKCDMFYQA-ZWKOTPCHSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C3CC3)C2)c1 ZINC000892029927 590758522 /nfs/dbraw/zinc/75/85/22/590758522.db2.gz YLBNBTKCDMFYQA-ZWKOTPCHSA-N 2 2 346.475 1.232 20 0 EDADLP CCc1nnc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000893487761 590904892 /nfs/dbraw/zinc/90/48/92/590904892.db2.gz OILVNJOCAZTHLE-HNNXBMFYSA-N 2 2 332.473 1.957 20 0 EDADLP CCc1nnc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000893487761 590904894 /nfs/dbraw/zinc/90/48/94/590904894.db2.gz OILVNJOCAZTHLE-HNNXBMFYSA-N 2 2 332.473 1.957 20 0 EDADLP C[C@@H](O)c1cccc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000892432371 591026230 /nfs/dbraw/zinc/02/62/30/591026230.db2.gz JAHGTCIRAPWUEP-OAHLLOKOSA-N 2 2 346.475 1.515 20 0 EDADLP CS(=O)(=O)CC[NH+]1CCC(Nc2cc(N)[nH+]cc2Cl)CC1 ZINC000892442002 591029840 /nfs/dbraw/zinc/02/98/40/591029840.db2.gz WYQDUJMCNPCYKJ-UHFFFAOYSA-N 2 2 332.857 1.238 20 0 EDADLP COCCOc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000892487985 591045995 /nfs/dbraw/zinc/04/59/95/591045995.db2.gz ZTCMEVWTTIALGC-HUUCEWRRSA-N 2 2 326.437 1.894 20 0 EDADLP CC1(C)CC[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)[NH2+]C1 ZINC000891332682 591048206 /nfs/dbraw/zinc/04/82/06/591048206.db2.gz HPJMPGITQAVJDB-HNNXBMFYSA-N 2 2 342.447 1.845 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891422134 591072434 /nfs/dbraw/zinc/07/24/34/591072434.db2.gz UNHPFQJCTCUNRU-AEFFLSMTSA-N 2 2 325.416 1.956 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000892565780 591075440 /nfs/dbraw/zinc/07/54/40/591075440.db2.gz JMVHDVLLPSPFEY-AWEZNQCLSA-N 2 2 327.469 1.602 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)CC2)CC1 ZINC000891459551 591078496 /nfs/dbraw/zinc/07/84/96/591078496.db2.gz AXGWLPXJEAWJEY-ZWKOTPCHSA-N 2 2 349.523 1.081 20 0 EDADLP Cc1nnc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000892583019 591081640 /nfs/dbraw/zinc/08/16/40/591081640.db2.gz QDOPZEKDLPTJHN-UHFFFAOYSA-N 2 2 345.472 1.524 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC000892601258 591089643 /nfs/dbraw/zinc/08/96/43/591089643.db2.gz SCZCAUFHMINFLA-CABCVRRESA-N 2 2 349.479 1.572 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]cn1 ZINC000892601258 591089648 /nfs/dbraw/zinc/08/96/48/591089648.db2.gz SCZCAUFHMINFLA-CABCVRRESA-N 2 2 349.479 1.572 20 0 EDADLP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCc2[nH+]ccn2C)c1 ZINC000891507616 591099711 /nfs/dbraw/zinc/09/97/11/591099711.db2.gz JJZUYMGTDGWMNW-HNNXBMFYSA-N 2 2 329.404 1.285 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891507421 591099778 /nfs/dbraw/zinc/09/97/78/591099778.db2.gz QZZMIICRIUURMK-SFHVURJKSA-N 2 2 338.496 1.272 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891507421 591099782 /nfs/dbraw/zinc/09/97/82/591099782.db2.gz QZZMIICRIUURMK-SFHVURJKSA-N 2 2 338.496 1.272 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000891563009 591129416 /nfs/dbraw/zinc/12/94/16/591129416.db2.gz VSJSVHYYXAYBCN-CVEARBPZSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000891563009 591129420 /nfs/dbraw/zinc/12/94/20/591129420.db2.gz VSJSVHYYXAYBCN-CVEARBPZSA-N 2 2 343.431 1.075 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000893959876 591149644 /nfs/dbraw/zinc/14/96/44/591149644.db2.gz MQSGINBHRGAJCT-HOCLYGCPSA-N 2 2 341.496 1.726 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000893998413 591158221 /nfs/dbraw/zinc/15/82/21/591158221.db2.gz HZLDJACABNRBOW-UHFFFAOYSA-N 2 2 345.447 1.255 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cn3ccnc3s2)CC1 ZINC000892750163 591158529 /nfs/dbraw/zinc/15/85/29/591158529.db2.gz FKAJTNJQJQXLTJ-UHFFFAOYSA-N 2 2 342.472 1.832 20 0 EDADLP C[C@@H](CC[NH+](C)C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892763350 591167589 /nfs/dbraw/zinc/16/75/89/591167589.db2.gz KUGFYEHOXMWURW-HNNXBMFYSA-N 3 2 342.528 1.905 20 0 EDADLP Cc1cc[nH+]c(N)c1C[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000894083880 591184031 /nfs/dbraw/zinc/18/40/31/591184031.db2.gz HESBESGBOVHPFA-ZDUSSCGKSA-N 2 2 338.419 1.121 20 0 EDADLP Cc1cc[nH+]c(N)c1C[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000894083880 591184032 /nfs/dbraw/zinc/18/40/32/591184032.db2.gz HESBESGBOVHPFA-ZDUSSCGKSA-N 2 2 338.419 1.121 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccc(Br)nn2)CC1 ZINC000892815636 591191616 /nfs/dbraw/zinc/19/16/16/591191616.db2.gz GUECDWNGLFVEET-UHFFFAOYSA-N 2 2 328.258 1.677 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)C[C@]2(C)C1 ZINC000891704669 591192951 /nfs/dbraw/zinc/19/29/51/591192951.db2.gz IHTMFRPYTBRANE-QAPCUYQASA-N 2 2 340.431 1.360 20 0 EDADLP C[N@H+]1C[C@@H]2CN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)C[C@]2(C)C1 ZINC000891704669 591192952 /nfs/dbraw/zinc/19/29/52/591192952.db2.gz IHTMFRPYTBRANE-QAPCUYQASA-N 2 2 340.431 1.360 20 0 EDADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)C[C@]2(C)C1 ZINC000891716777 591196483 /nfs/dbraw/zinc/19/64/83/591196483.db2.gz WFAPNGSFRHBTRJ-KDOFPFPSSA-N 2 2 327.432 1.470 20 0 EDADLP C[N@H+]1C[C@@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)C[C@]2(C)C1 ZINC000891716777 591196486 /nfs/dbraw/zinc/19/64/86/591196486.db2.gz WFAPNGSFRHBTRJ-KDOFPFPSSA-N 2 2 327.432 1.470 20 0 EDADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000891740184 591205758 /nfs/dbraw/zinc/20/57/58/591205758.db2.gz RAAJAJGKSFWWCE-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000891740184 591205759 /nfs/dbraw/zinc/20/57/59/591205759.db2.gz RAAJAJGKSFWWCE-IRXDYDNUSA-N 2 2 343.475 1.917 20 0 EDADLP C[NH+](C)[C@@]1(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CCSC1 ZINC000894324564 591279051 /nfs/dbraw/zinc/27/90/51/591279051.db2.gz ISJUUICYHZZLQE-MRXNPFEDSA-N 2 2 329.510 1.880 20 0 EDADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000894469606 591320980 /nfs/dbraw/zinc/32/09/80/591320980.db2.gz NNXXFKYKNKXXLT-IBGZPJMESA-N 2 2 345.443 1.809 20 0 EDADLP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000894469606 591320983 /nfs/dbraw/zinc/32/09/83/591320983.db2.gz NNXXFKYKNKXXLT-IBGZPJMESA-N 2 2 345.443 1.809 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000896097125 591343643 /nfs/dbraw/zinc/34/36/43/591343643.db2.gz OOFMYNMYNFFVLO-KRWDZBQOSA-N 2 2 349.479 1.407 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000896097125 591343645 /nfs/dbraw/zinc/34/36/45/591343645.db2.gz OOFMYNMYNFFVLO-KRWDZBQOSA-N 2 2 349.479 1.407 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896097125 591343647 /nfs/dbraw/zinc/34/36/47/591343647.db2.gz OOFMYNMYNFFVLO-KRWDZBQOSA-N 2 2 349.479 1.407 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896097125 591343650 /nfs/dbraw/zinc/34/36/50/591343650.db2.gz OOFMYNMYNFFVLO-KRWDZBQOSA-N 2 2 349.479 1.407 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000897432089 591411524 /nfs/dbraw/zinc/41/15/24/591411524.db2.gz FQRYWNGRAGQLOI-GFCCVEGCSA-N 2 2 347.385 1.929 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000897432089 591411527 /nfs/dbraw/zinc/41/15/27/591411527.db2.gz FQRYWNGRAGQLOI-GFCCVEGCSA-N 2 2 347.385 1.929 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897434808 591417897 /nfs/dbraw/zinc/41/78/97/591417897.db2.gz BRZFKSCUWLGSGY-IRXDYDNUSA-N 2 2 345.491 1.812 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897434808 591417898 /nfs/dbraw/zinc/41/78/98/591417898.db2.gz BRZFKSCUWLGSGY-IRXDYDNUSA-N 2 2 345.491 1.812 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)n1 ZINC000896310887 591420111 /nfs/dbraw/zinc/42/01/11/591420111.db2.gz HPXMQUBNUQAMCA-CHWSQXEVSA-N 2 2 329.441 1.928 20 0 EDADLP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000897446976 591457841 /nfs/dbraw/zinc/45/78/41/591457841.db2.gz LNPRKRWHTCGWRX-MRXNPFEDSA-N 2 2 331.464 1.251 20 0 EDADLP C[C@@H]1CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000897446976 591457845 /nfs/dbraw/zinc/45/78/45/591457845.db2.gz LNPRKRWHTCGWRX-MRXNPFEDSA-N 2 2 331.464 1.251 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000898743657 591496526 /nfs/dbraw/zinc/49/65/26/591496526.db2.gz QHPCOITVNGLCGI-CQSZACIVSA-N 2 2 337.374 1.649 20 0 EDADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000898884434 591578504 /nfs/dbraw/zinc/57/85/04/591578504.db2.gz QUCBVMLJNWNCLQ-QGZVFWFLSA-N 2 2 342.443 1.482 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCC2(C1)OCCO2)c1ccccc1 ZINC000899057394 591654759 /nfs/dbraw/zinc/65/47/59/591654759.db2.gz QIGQMZMVWGPGRY-QGZVFWFLSA-N 2 2 347.459 1.244 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCC2(C1)OCCO2)c1ccccc1 ZINC000899057394 591654761 /nfs/dbraw/zinc/65/47/61/591654761.db2.gz QIGQMZMVWGPGRY-QGZVFWFLSA-N 2 2 347.459 1.244 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)c1ccccc1 ZINC000899057394 591654764 /nfs/dbraw/zinc/65/47/64/591654764.db2.gz QIGQMZMVWGPGRY-QGZVFWFLSA-N 2 2 347.459 1.244 20 0 EDADLP CC[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)c1ccccc1 ZINC000899057394 591654766 /nfs/dbraw/zinc/65/47/66/591654766.db2.gz QIGQMZMVWGPGRY-QGZVFWFLSA-N 2 2 347.459 1.244 20 0 EDADLP C[C@@H](CC[NH2+]Cc1c(I)cnn1C)[NH+](C)C ZINC000895290270 591704097 /nfs/dbraw/zinc/70/40/97/591704097.db2.gz FQFMGSWYRMINOP-VIFPVBQESA-N 2 2 336.221 1.455 20 0 EDADLP CO[C@]1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCSC1 ZINC000896987988 591705818 /nfs/dbraw/zinc/70/58/18/591705818.db2.gz IDPLKROHYHKRFD-DOTOQJQBSA-N 2 2 341.521 1.135 20 0 EDADLP CO[C@]1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCSC1 ZINC000896987988 591705822 /nfs/dbraw/zinc/70/58/22/591705822.db2.gz IDPLKROHYHKRFD-DOTOQJQBSA-N 2 2 341.521 1.135 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000895463706 591767106 /nfs/dbraw/zinc/76/71/06/591767106.db2.gz BAMFASIJGOAGTP-MSOLQXFVSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000895463706 591767108 /nfs/dbraw/zinc/76/71/08/591767108.db2.gz BAMFASIJGOAGTP-MSOLQXFVSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000895463706 591767109 /nfs/dbraw/zinc/76/71/09/591767109.db2.gz BAMFASIJGOAGTP-MSOLQXFVSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000895463706 591767110 /nfs/dbraw/zinc/76/71/10/591767110.db2.gz BAMFASIJGOAGTP-MSOLQXFVSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](C)[C@@H](C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1)OC ZINC000895550886 591798167 /nfs/dbraw/zinc/79/81/67/591798167.db2.gz LOIIJSOUBWIBTB-HZPDHXFCSA-N 2 2 325.497 1.853 20 0 EDADLP O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)C2)nc[nH]1 ZINC000898156712 591806228 /nfs/dbraw/zinc/80/62/28/591806228.db2.gz FXHZNZBHEOIGRM-GFCCVEGCSA-N 2 2 342.428 1.798 20 0 EDADLP CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]Cc2c[nH+]c3ccc(C)cn23)C1 ZINC000898355873 591887371 /nfs/dbraw/zinc/88/73/71/591887371.db2.gz DZBODSQERCKWOZ-DZGCQCFKSA-N 2 2 332.404 1.182 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H](O)Cc3cccc(F)c3)nn2)CC1 ZINC000899723714 591920533 /nfs/dbraw/zinc/92/05/33/591920533.db2.gz DFGLXLVITXRVIO-GOSISDBHSA-N 2 2 347.438 1.205 20 0 EDADLP NC(=[NH+]OCCOC1CC1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000902239371 591953170 /nfs/dbraw/zinc/95/31/70/591953170.db2.gz SDPWGHCXQKUNOJ-UHFFFAOYSA-N 2 2 333.432 1.669 20 0 EDADLP O[C@H](C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1)C1(O)CCOCC1 ZINC000899861212 591963142 /nfs/dbraw/zinc/96/31/42/591963142.db2.gz XKSJRWBHYSCSQP-GOEBONIOSA-N 2 2 340.489 1.377 20 0 EDADLP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000902405987 591987700 /nfs/dbraw/zinc/98/77/00/591987700.db2.gz JVNJYRRFTDWSNT-LBPRGKRZSA-N 2 2 331.869 1.780 20 0 EDADLP O=C1O[C@H](CNc2cc(NCC3CC3)nc[nH+]2)CC12CC[NH2+]CC2 ZINC000900359564 591994559 /nfs/dbraw/zinc/99/45/59/591994559.db2.gz CZPUHPAVBAPDRQ-ZDUSSCGKSA-N 2 2 331.420 1.396 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902467253 592000830 /nfs/dbraw/zinc/00/08/30/592000830.db2.gz ODEWLWNFNZJVKB-DDHJSBNISA-N 2 2 333.432 1.903 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)[C@H]1CCCC[NH2+]1 ZINC000902513761 592002532 /nfs/dbraw/zinc/00/25/32/592002532.db2.gz IADDGIKJONAMFK-XJKSGUPXSA-N 2 2 325.478 1.703 20 0 EDADLP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900383237 592002572 /nfs/dbraw/zinc/00/25/72/592002572.db2.gz CPIDDVRAXTXVSC-OAHLLOKOSA-N 2 2 336.436 1.218 20 0 EDADLP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900383237 592002574 /nfs/dbraw/zinc/00/25/74/592002574.db2.gz CPIDDVRAXTXVSC-OAHLLOKOSA-N 2 2 336.436 1.218 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)[nH+]c1NC ZINC000900480117 592029974 /nfs/dbraw/zinc/02/99/74/592029974.db2.gz BVRKCXMGSQRTPY-INIZCTEOSA-N 3 2 347.507 1.920 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)[nH+]c1NC ZINC000900480117 592029975 /nfs/dbraw/zinc/02/99/75/592029975.db2.gz BVRKCXMGSQRTPY-INIZCTEOSA-N 3 2 347.507 1.920 20 0 EDADLP CO[C@@H](Cn1cc(C[NH2+]C2CC[NH+](C)CC2)nn1)c1ccc(F)cc1 ZINC000900558590 592059661 /nfs/dbraw/zinc/05/96/61/592059661.db2.gz LUTMNLZHHUTVAC-SFHVURJKSA-N 2 2 347.438 1.989 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902777386 592061257 /nfs/dbraw/zinc/06/12/57/592061257.db2.gz XPEYMGZXWYWABR-GDBMZVCRSA-N 2 2 348.472 1.947 20 0 EDADLP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900593124 592062473 /nfs/dbraw/zinc/06/24/73/592062473.db2.gz WAXDYKLOVIOTCK-IAGOWNOFSA-N 2 2 345.491 1.471 20 0 EDADLP Cn1cc[nH+]c1CN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900593124 592062474 /nfs/dbraw/zinc/06/24/74/592062474.db2.gz WAXDYKLOVIOTCK-IAGOWNOFSA-N 2 2 345.491 1.471 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900657743 592083375 /nfs/dbraw/zinc/08/33/75/592083375.db2.gz ADJHWGAWWZGHSW-DLBZAZTESA-N 2 2 345.491 1.564 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900657743 592083379 /nfs/dbraw/zinc/08/33/79/592083379.db2.gz ADJHWGAWWZGHSW-DLBZAZTESA-N 2 2 345.491 1.564 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)nn1 ZINC000902988614 592094827 /nfs/dbraw/zinc/09/48/27/592094827.db2.gz WPJMMGUQONQIIL-HNSVSWJLSA-N 2 2 348.495 1.422 20 0 EDADLP CCCn1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)nn1 ZINC000902988614 592094829 /nfs/dbraw/zinc/09/48/29/592094829.db2.gz WPJMMGUQONQIIL-HNSVSWJLSA-N 2 2 348.495 1.422 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903039458 592105124 /nfs/dbraw/zinc/10/51/24/592105124.db2.gz USDUGBAWLGAWPY-UKRRQHHQSA-N 2 2 334.445 1.557 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH2+]CC[N@H+](C)CCOCCO ZINC000903089962 592118488 /nfs/dbraw/zinc/11/84/88/592118488.db2.gz XTFYVFHXXQEJKJ-DNVCBOLYSA-N 2 2 336.476 1.849 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C)C[C@H]2[NH2+]CC[N@@H+](C)CCOCCO ZINC000903089962 592118489 /nfs/dbraw/zinc/11/84/89/592118489.db2.gz XTFYVFHXXQEJKJ-DNVCBOLYSA-N 2 2 336.476 1.849 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)C[N@@H+]1C1CC1 ZINC000903237794 592142340 /nfs/dbraw/zinc/14/23/40/592142340.db2.gz QNPMEMZJZFTHDX-GXSJLCMTSA-N 2 2 346.353 1.226 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)C[N@H+]1C1CC1 ZINC000903237794 592142342 /nfs/dbraw/zinc/14/23/42/592142342.db2.gz QNPMEMZJZFTHDX-GXSJLCMTSA-N 2 2 346.353 1.226 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)C[N@@H+]1C1CC1 ZINC000903237795 592142536 /nfs/dbraw/zinc/14/25/36/592142536.db2.gz QNPMEMZJZFTHDX-KOLCDFICSA-N 2 2 346.353 1.226 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)C[N@H+]1C1CC1 ZINC000903237795 592142538 /nfs/dbraw/zinc/14/25/38/592142538.db2.gz QNPMEMZJZFTHDX-KOLCDFICSA-N 2 2 346.353 1.226 20 0 EDADLP C1C[C@@H]([NH+]2CCC([NH2+][C@H]3CCCN4CCSC[C@H]34)CC2)CO1 ZINC000903272980 592149723 /nfs/dbraw/zinc/14/97/23/592149723.db2.gz SCYSDFMWDGYXFD-IXDOHACOSA-N 2 2 325.522 1.409 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)C(=O)NC(=O)NCc1ccccc1 ZINC000903468273 592174694 /nfs/dbraw/zinc/17/46/94/592174694.db2.gz JLVUJLYNZDMVKD-ZFWWWQNUSA-N 2 2 330.432 1.275 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485220 592178116 /nfs/dbraw/zinc/17/81/16/592178116.db2.gz KOMDCYAURPYPII-QGZVFWFLSA-N 2 2 349.450 1.927 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)NC[C@H]1Cc2ccccc2O1 ZINC000903485774 592178455 /nfs/dbraw/zinc/17/84/55/592178455.db2.gz QKKMKDSSDSJCBW-WBVHZDCISA-N 2 2 329.444 1.371 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000903485786 592178722 /nfs/dbraw/zinc/17/87/22/592178722.db2.gz QTCZYFXTSMQJGV-QGZVFWFLSA-N 2 2 331.460 1.754 20 0 EDADLP Cc1ccc(Cl)c(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000903564998 592212311 /nfs/dbraw/zinc/21/23/11/592212311.db2.gz BSEGMMRPZGEVTM-UHFFFAOYSA-N 2 2 331.869 1.350 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000903566262 592212681 /nfs/dbraw/zinc/21/26/81/592212681.db2.gz NRFDLUSNHOFMLZ-GHXNOFRVSA-N 2 2 343.880 1.653 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cnccn1 ZINC000906653531 592236862 /nfs/dbraw/zinc/23/68/62/592236862.db2.gz GBVUDUDRSKDCDP-HOCLYGCPSA-N 2 2 331.464 1.207 20 0 EDADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cnccn1 ZINC000906653531 592236864 /nfs/dbraw/zinc/23/68/64/592236864.db2.gz GBVUDUDRSKDCDP-HOCLYGCPSA-N 2 2 331.464 1.207 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@]1(C)CCC[NH2+]C1 ZINC000904381984 592247697 /nfs/dbraw/zinc/24/76/97/592247697.db2.gz ZUNYPMFWYNPZAF-GOSISDBHSA-N 2 2 333.432 1.718 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@]1(C)CCC[NH2+]C1 ZINC000904381984 592247700 /nfs/dbraw/zinc/24/77/00/592247700.db2.gz ZUNYPMFWYNPZAF-GOSISDBHSA-N 2 2 333.432 1.718 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906666858 592249190 /nfs/dbraw/zinc/24/91/90/592249190.db2.gz SWBWGRIAOFXHLT-CQSZACIVSA-N 2 2 341.415 1.224 20 0 EDADLP C[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000901141108 592256859 /nfs/dbraw/zinc/25/68/59/592256859.db2.gz QPEUFWPYKYPJKV-KDOFPFPSSA-N 2 2 340.427 1.696 20 0 EDADLP C[C@@H](NC(=O)c1c[nH+]ccc1Nc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901141108 592256863 /nfs/dbraw/zinc/25/68/63/592256863.db2.gz QPEUFWPYKYPJKV-KDOFPFPSSA-N 2 2 340.427 1.696 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469011 592268017 /nfs/dbraw/zinc/26/80/17/592268017.db2.gz HXIHMAMCTLBHLN-SJLPKXTDSA-N 2 2 340.475 1.913 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469011 592268022 /nfs/dbraw/zinc/26/80/22/592268022.db2.gz HXIHMAMCTLBHLN-SJLPKXTDSA-N 2 2 340.475 1.913 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000906661206 592269886 /nfs/dbraw/zinc/26/98/86/592269886.db2.gz PNMAMQMOKMPIFK-INIZCTEOSA-N 2 2 330.476 1.905 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000906661206 592269889 /nfs/dbraw/zinc/26/98/89/592269889.db2.gz PNMAMQMOKMPIFK-INIZCTEOSA-N 2 2 330.476 1.905 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901200689 592283637 /nfs/dbraw/zinc/28/36/37/592283637.db2.gz IPYADGINEPRRSH-QZTJIDSGSA-N 3 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901200689 592283640 /nfs/dbraw/zinc/28/36/40/592283640.db2.gz IPYADGINEPRRSH-QZTJIDSGSA-N 3 2 347.507 1.748 20 0 EDADLP O=C1NCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903726692 592284646 /nfs/dbraw/zinc/28/46/46/592284646.db2.gz NELPUXGDHXWRLR-IAGOWNOFSA-N 2 2 329.444 1.318 20 0 EDADLP O=C1NCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000903726692 592284651 /nfs/dbraw/zinc/28/46/51/592284651.db2.gz NELPUXGDHXWRLR-IAGOWNOFSA-N 2 2 329.444 1.318 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000908085513 592293573 /nfs/dbraw/zinc/29/35/73/592293573.db2.gz SWHKDQNXSAPEEE-AWEZNQCLSA-N 2 2 348.447 1.111 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000908085513 592293577 /nfs/dbraw/zinc/29/35/77/592293577.db2.gz SWHKDQNXSAPEEE-AWEZNQCLSA-N 2 2 348.447 1.111 20 0 EDADLP CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752231 592295488 /nfs/dbraw/zinc/29/54/88/592295488.db2.gz LOHZZNHXXWNLGK-BJLQDIEVSA-N 2 2 346.471 1.861 20 0 EDADLP CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903752231 592295492 /nfs/dbraw/zinc/29/54/92/592295492.db2.gz LOHZZNHXXWNLGK-BJLQDIEVSA-N 2 2 346.471 1.861 20 0 EDADLP COc1cccc([C@@H]2C[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)c1 ZINC000903752944 592296493 /nfs/dbraw/zinc/29/64/93/592296493.db2.gz QLAHBGVKFLYARG-CEXWTWQISA-N 2 2 332.444 1.837 20 0 EDADLP COc1cccc([C@@H]2C[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CCO2)c1 ZINC000903752944 592296498 /nfs/dbraw/zinc/29/64/98/592296498.db2.gz QLAHBGVKFLYARG-CEXWTWQISA-N 2 2 332.444 1.837 20 0 EDADLP O=C1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1Cc1cccc(F)c1 ZINC000903733960 592297549 /nfs/dbraw/zinc/29/75/49/592297549.db2.gz NIHUCESTVCNHKL-IEBWSBKVSA-N 2 2 347.434 1.239 20 0 EDADLP O=C1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1Cc1cccc(F)c1 ZINC000903733960 592297553 /nfs/dbraw/zinc/29/75/53/592297553.db2.gz NIHUCESTVCNHKL-IEBWSBKVSA-N 2 2 347.434 1.239 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790754 592316307 /nfs/dbraw/zinc/31/63/07/592316307.db2.gz YZWXGTHXPLEHJP-CQSZACIVSA-N 2 2 347.507 1.911 20 0 EDADLP COc1ccccc1[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903777732 592319207 /nfs/dbraw/zinc/31/92/07/592319207.db2.gz DCAJXRQJOYQQQJ-MNEFBYGVSA-N 2 2 332.444 1.837 20 0 EDADLP COc1ccccc1[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903777732 592319210 /nfs/dbraw/zinc/31/92/10/592319210.db2.gz DCAJXRQJOYQQQJ-MNEFBYGVSA-N 2 2 332.444 1.837 20 0 EDADLP O=C1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](c2ccccc2)CN1 ZINC000903788478 592322758 /nfs/dbraw/zinc/32/27/58/592322758.db2.gz LUHVJJDDELFIFG-IRXDYDNUSA-N 2 2 329.444 1.318 20 0 EDADLP O=C1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](c2ccccc2)CN1 ZINC000903788478 592322763 /nfs/dbraw/zinc/32/27/63/592322763.db2.gz LUHVJJDDELFIFG-IRXDYDNUSA-N 2 2 329.444 1.318 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000903843577 592342947 /nfs/dbraw/zinc/34/29/47/592342947.db2.gz NLGCSPZQVDGINU-JYJNAYRXSA-N 3 2 348.516 1.204 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000903843577 592342949 /nfs/dbraw/zinc/34/29/49/592342949.db2.gz NLGCSPZQVDGINU-JYJNAYRXSA-N 3 2 348.516 1.204 20 0 EDADLP O=C(CN1CCC[C@]12CC[NH2+]C2)N1CC[NH+](Cc2cccs2)CC1 ZINC000903865242 592350083 /nfs/dbraw/zinc/35/00/83/592350083.db2.gz BNCPCBVHTHSJLO-GOSISDBHSA-N 2 2 348.516 1.220 20 0 EDADLP Cc1nc([C@H]2CCC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903898367 592369776 /nfs/dbraw/zinc/36/97/76/592369776.db2.gz KHXPWSCGXDFICI-CABCVRRESA-N 2 2 331.468 1.152 20 0 EDADLP Cc1nc([C@H]2CCC[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903898367 592369779 /nfs/dbraw/zinc/36/97/79/592369779.db2.gz KHXPWSCGXDFICI-CABCVRRESA-N 2 2 331.468 1.152 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000903928349 592382592 /nfs/dbraw/zinc/38/25/92/592382592.db2.gz XTNMXSMXTPGHSE-OAHLLOKOSA-N 3 2 325.420 1.183 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cnn1C ZINC000903934670 592386854 /nfs/dbraw/zinc/38/68/54/592386854.db2.gz IEPJDNITCVESMD-HNNXBMFYSA-N 2 2 342.491 1.818 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCc3nc(C(C)C)ncc3C2)cnn1C ZINC000903934670 592386859 /nfs/dbraw/zinc/38/68/59/592386859.db2.gz IEPJDNITCVESMD-HNNXBMFYSA-N 2 2 342.491 1.818 20 0 EDADLP CCOC(=O)[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)[C@H]1CCCOC1 ZINC000903916131 592388897 /nfs/dbraw/zinc/38/88/97/592388897.db2.gz QUGWSMMKBVNGHS-WMZOPIPTSA-N 2 2 332.444 1.780 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000905141930 592434542 /nfs/dbraw/zinc/43/45/42/592434542.db2.gz IDXATWIDOBKPCL-AWEZNQCLSA-N 2 2 328.420 1.953 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905179976 592441897 /nfs/dbraw/zinc/44/18/97/592441897.db2.gz MTKSGXZPJQRMHS-ATZDWAIDSA-N 2 2 349.475 1.099 20 0 EDADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000904301134 592471622 /nfs/dbraw/zinc/47/16/22/592471622.db2.gz HPEUCSAVSZZNOP-ULQDDVLXSA-N 3 2 338.540 1.720 20 0 EDADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000904301134 592471624 /nfs/dbraw/zinc/47/16/24/592471624.db2.gz HPEUCSAVSZZNOP-ULQDDVLXSA-N 3 2 338.540 1.720 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000905261691 592481151 /nfs/dbraw/zinc/48/11/51/592481151.db2.gz CYWJEKPCLSWKAI-SUNYJGFJSA-N 2 2 335.448 1.731 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000905261691 592481152 /nfs/dbraw/zinc/48/11/52/592481152.db2.gz CYWJEKPCLSWKAI-SUNYJGFJSA-N 2 2 335.448 1.731 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000908414348 592486673 /nfs/dbraw/zinc/48/66/73/592486673.db2.gz OPWNMUOPDFYCFT-SJCJKPOMSA-N 2 2 348.834 1.597 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000908414348 592486675 /nfs/dbraw/zinc/48/66/75/592486675.db2.gz OPWNMUOPDFYCFT-SJCJKPOMSA-N 2 2 348.834 1.597 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000908419060 592489125 /nfs/dbraw/zinc/48/91/25/592489125.db2.gz VHXWKFOZEWTABE-CQSZACIVSA-N 2 2 344.415 1.856 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000908419060 592489127 /nfs/dbraw/zinc/48/91/27/592489127.db2.gz VHXWKFOZEWTABE-CQSZACIVSA-N 2 2 344.415 1.856 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905380522 592512650 /nfs/dbraw/zinc/51/26/50/592512650.db2.gz GRAMCLMRKGGQTP-NVXWUHKLSA-N 2 2 327.419 1.408 20 0 EDADLP CN(C(=O)CCC(N)=O)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000907125630 592521826 /nfs/dbraw/zinc/52/18/26/592521826.db2.gz YXXRHQPKDQQQCS-JKSUJKDBSA-N 2 2 338.496 1.048 20 0 EDADLP CN(C(=O)CCC(N)=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000907125630 592521828 /nfs/dbraw/zinc/52/18/28/592521828.db2.gz YXXRHQPKDQQQCS-JKSUJKDBSA-N 2 2 338.496 1.048 20 0 EDADLP CN(C(=O)CCC(N)=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000907125629 592521888 /nfs/dbraw/zinc/52/18/88/592521888.db2.gz YXXRHQPKDQQQCS-HZPDHXFCSA-N 2 2 338.496 1.048 20 0 EDADLP CN(C(=O)CCC(N)=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000907125629 592521891 /nfs/dbraw/zinc/52/18/91/592521891.db2.gz YXXRHQPKDQQQCS-HZPDHXFCSA-N 2 2 338.496 1.048 20 0 EDADLP C[NH+](C)Cc1csc(C[NH2+]C[C@@H](O)COc2ccccc2F)n1 ZINC000905532882 592564101 /nfs/dbraw/zinc/56/41/01/592564101.db2.gz MIOWXZQBGBDUBR-CYBMUJFWSA-N 2 2 339.436 1.873 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000907385300 592620655 /nfs/dbraw/zinc/62/06/55/592620655.db2.gz GNTXHDHRXJUNRC-INIZCTEOSA-N 2 2 337.464 1.030 20 0 EDADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000907385300 592620659 /nfs/dbraw/zinc/62/06/59/592620659.db2.gz GNTXHDHRXJUNRC-INIZCTEOSA-N 2 2 337.464 1.030 20 0 EDADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NCC[N@@H+]2CC=C(C)CC2)C1 ZINC000907385300 592620665 /nfs/dbraw/zinc/62/06/65/592620665.db2.gz GNTXHDHRXJUNRC-INIZCTEOSA-N 2 2 337.464 1.030 20 0 EDADLP CC(C)(C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000905908058 592676526 /nfs/dbraw/zinc/67/65/26/592676526.db2.gz YIHNNTIERIGQOU-AZUAARDMSA-N 2 2 348.487 1.315 20 0 EDADLP CC(C)(C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)[N@H+]1CCc2ccccc2C1 ZINC000905908058 592676530 /nfs/dbraw/zinc/67/65/30/592676530.db2.gz YIHNNTIERIGQOU-AZUAARDMSA-N 2 2 348.487 1.315 20 0 EDADLP O[C@@H](C[NH2+]CC1([NH+]2CCSCC2)CCCC1)CC1(O)CCCC1 ZINC000905907882 592676721 /nfs/dbraw/zinc/67/67/21/592676721.db2.gz OHMFIXAPXFIBHX-MRXNPFEDSA-N 2 2 342.549 1.994 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCN1C ZINC000907563892 592710256 /nfs/dbraw/zinc/71/02/56/592710256.db2.gz KMPWXAMRVIFLHX-HRCADAONSA-N 2 2 331.464 1.252 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCN1C ZINC000907563892 592710258 /nfs/dbraw/zinc/71/02/58/592710258.db2.gz KMPWXAMRVIFLHX-HRCADAONSA-N 2 2 331.464 1.252 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(CC)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000907566792 592712487 /nfs/dbraw/zinc/71/24/87/592712487.db2.gz KBSXYORFJJJRGO-IRXDYDNUSA-N 2 2 347.507 1.747 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)N2CCN(CC)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000907566792 592712489 /nfs/dbraw/zinc/71/24/89/592712489.db2.gz KBSXYORFJJJRGO-IRXDYDNUSA-N 2 2 347.507 1.747 20 0 EDADLP C[NH+](C)C1(CNC(=O)c2cccn2CC[NH+]2CCOCC2)CCCC1 ZINC000906226394 592766074 /nfs/dbraw/zinc/76/60/74/592766074.db2.gz GAEAECJGXGAOCA-UHFFFAOYSA-N 2 2 348.491 1.425 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn(CCC(C)=O)nn2)C1 ZINC000906262456 592776463 /nfs/dbraw/zinc/77/64/63/592776463.db2.gz GJRWSMLLZQKYAP-INIZCTEOSA-N 2 2 330.436 1.853 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn(CCC(C)=O)nn2)C1 ZINC000906262456 592776466 /nfs/dbraw/zinc/77/64/66/592776466.db2.gz GJRWSMLLZQKYAP-INIZCTEOSA-N 2 2 330.436 1.853 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn(Cc3ncon3)nn2)C1 ZINC000906262081 592776661 /nfs/dbraw/zinc/77/66/61/592776661.db2.gz AQHKSNGORKWFGK-AWEZNQCLSA-N 2 2 342.407 1.305 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn(Cc3ncon3)nn2)C1 ZINC000906262081 592776662 /nfs/dbraw/zinc/77/66/62/592776662.db2.gz AQHKSNGORKWFGK-AWEZNQCLSA-N 2 2 342.407 1.305 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2c2c[nH+]cn2C)C[C@H](C)[N@H+]1C ZINC000910843811 592895945 /nfs/dbraw/zinc/89/59/45/592895945.db2.gz STAKEGARMXCVJW-QLFBSQMISA-N 2 2 347.463 1.025 20 0 EDADLP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2c2c[nH+]cn2C)C[C@H](C)[N@@H+]1C ZINC000910843811 592895946 /nfs/dbraw/zinc/89/59/46/592895946.db2.gz STAKEGARMXCVJW-QLFBSQMISA-N 2 2 347.463 1.025 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)co2)C1 ZINC000911580108 592953861 /nfs/dbraw/zinc/95/38/61/592953861.db2.gz IEWFKNRHDAXUDW-ZNMIVQPWSA-N 2 2 348.447 1.252 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)co2)C1 ZINC000911580108 592953863 /nfs/dbraw/zinc/95/38/63/592953863.db2.gz IEWFKNRHDAXUDW-ZNMIVQPWSA-N 2 2 348.447 1.252 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000733882219 592954673 /nfs/dbraw/zinc/95/46/73/592954673.db2.gz FXQHRGPZQQZHOV-UHFFFAOYSA-N 2 2 335.496 1.362 20 0 EDADLP Cc1[nH+]ccn1CCCC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000733882219 592954676 /nfs/dbraw/zinc/95/46/76/592954676.db2.gz FXQHRGPZQQZHOV-UHFFFAOYSA-N 2 2 335.496 1.362 20 0 EDADLP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000911682004 592981208 /nfs/dbraw/zinc/98/12/08/592981208.db2.gz FDPXAPRREANHED-WBVHZDCISA-N 2 2 333.432 1.224 20 0 EDADLP O=C(CC[NH+]1CCOCC1)Nc1c[nH+]ccc1Nc1ccccc1 ZINC000911742480 592994537 /nfs/dbraw/zinc/99/45/37/592994537.db2.gz XISFQNPABRPGOJ-UHFFFAOYSA-N 2 2 326.400 1.908 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000741873145 593006838 /nfs/dbraw/zinc/00/68/38/593006838.db2.gz XAQWUQYGYBLNLF-INIZCTEOSA-N 2 2 340.537 1.001 20 0 EDADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1 ZINC000911847653 593025814 /nfs/dbraw/zinc/02/58/14/593025814.db2.gz QYQPDHUKKBXBJN-XKQJLSEDSA-N 2 2 333.432 1.525 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)[NH+](CC)[C@@H](C)C2)C1 ZINC000912026479 593049180 /nfs/dbraw/zinc/04/91/80/593049180.db2.gz IHDAKTYGEHYKGJ-OWCLPIDISA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)[NH+](CC)[C@@H](C)C2)C1 ZINC000912026479 593049181 /nfs/dbraw/zinc/04/91/81/593049181.db2.gz IHDAKTYGEHYKGJ-OWCLPIDISA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)C1 ZINC000912026479 593049182 /nfs/dbraw/zinc/04/91/82/593049182.db2.gz IHDAKTYGEHYKGJ-OWCLPIDISA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)C1 ZINC000912026479 593049183 /nfs/dbraw/zinc/04/91/83/593049183.db2.gz IHDAKTYGEHYKGJ-OWCLPIDISA-N 2 2 339.480 1.203 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(NC2CC2)s1 ZINC000912386461 593090088 /nfs/dbraw/zinc/09/00/88/593090088.db2.gz FAYCKDWEWZLWPB-UHFFFAOYSA-N 2 2 325.482 1.331 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(NC2CC2)s1 ZINC000912386461 593090089 /nfs/dbraw/zinc/09/00/89/593090089.db2.gz FAYCKDWEWZLWPB-UHFFFAOYSA-N 2 2 325.482 1.331 20 0 EDADLP CN(C(=O)Cc1ccc(F)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807072080 593141900 /nfs/dbraw/zinc/14/19/00/593141900.db2.gz XFBRAPNHIMQZCE-QGZVFWFLSA-N 2 2 334.439 1.390 20 0 EDADLP CN(C(=O)Cc1ccc(F)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807072080 593141903 /nfs/dbraw/zinc/14/19/03/593141903.db2.gz XFBRAPNHIMQZCE-QGZVFWFLSA-N 2 2 334.439 1.390 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1 ZINC000808172086 593233372 /nfs/dbraw/zinc/23/33/72/593233372.db2.gz POCKQSJWDBZWIT-INIZCTEOSA-N 2 2 344.463 1.814 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1cnn(C)c1 ZINC000808172086 593233373 /nfs/dbraw/zinc/23/33/73/593233373.db2.gz POCKQSJWDBZWIT-INIZCTEOSA-N 2 2 344.463 1.814 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000839527386 593315828 /nfs/dbraw/zinc/31/58/28/593315828.db2.gz MIQNZVPRCJCZKX-ROUUACIJSA-N 2 2 331.460 1.524 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000839527386 593315830 /nfs/dbraw/zinc/31/58/30/593315830.db2.gz MIQNZVPRCJCZKX-ROUUACIJSA-N 2 2 331.460 1.524 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@@H](C2CC2)[C@]12CCCO2 ZINC000840007170 593342583 /nfs/dbraw/zinc/34/25/83/593342583.db2.gz LPSCLQFEGYZJHQ-HHXXYDBFSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1N(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@@H](C2CC2)[C@]12CCCO2 ZINC000840007170 593342584 /nfs/dbraw/zinc/34/25/84/593342584.db2.gz LPSCLQFEGYZJHQ-HHXXYDBFSA-N 2 2 333.476 1.532 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)C2 ZINC000810058711 593378260 /nfs/dbraw/zinc/37/82/60/593378260.db2.gz RQBRLRPBGHEBRG-CQSZACIVSA-N 2 2 336.399 1.651 20 0 EDADLP CC(C)OCCONC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000812882821 593512133 /nfs/dbraw/zinc/51/21/33/593512133.db2.gz MVUPZBGFNJTKAQ-UHFFFAOYSA-N 2 2 342.484 1.201 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000816836975 593553007 /nfs/dbraw/zinc/55/30/07/593553007.db2.gz GHFYIIDKMRYMQZ-UHFFFAOYSA-N 2 2 341.415 1.172 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929695 593649764 /nfs/dbraw/zinc/64/97/64/593649764.db2.gz QWLGFGOVANBRSZ-TUKIKUTGSA-N 2 2 343.265 1.839 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000819018212 593734159 /nfs/dbraw/zinc/73/41/59/593734159.db2.gz QTASOVBBGYTLQK-YOEHRIQHSA-N 2 2 338.448 1.438 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000819018212 593734160 /nfs/dbraw/zinc/73/41/60/593734160.db2.gz QTASOVBBGYTLQK-YOEHRIQHSA-N 2 2 338.448 1.438 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000819108382 593739279 /nfs/dbraw/zinc/73/92/79/593739279.db2.gz COZRQIXYAVOCGU-FQEVSTJZSA-N 3 2 346.519 1.766 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000819108382 593739280 /nfs/dbraw/zinc/73/92/80/593739280.db2.gz COZRQIXYAVOCGU-FQEVSTJZSA-N 3 2 346.519 1.766 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1=O ZINC000819223265 593745297 /nfs/dbraw/zinc/74/52/97/593745297.db2.gz YMDAEIOYWYEGGC-CVEARBPZSA-N 2 2 346.406 1.373 20 0 EDADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)C3CC3)CC2)cc1 ZINC000819350583 593751527 /nfs/dbraw/zinc/75/15/27/593751527.db2.gz QNGHHMVMJLCLHZ-IBGZPJMESA-N 2 2 331.460 1.970 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1C ZINC000820657789 593854555 /nfs/dbraw/zinc/85/45/55/593854555.db2.gz MWIFQLBCKAIQOO-WQVCFCJDSA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000820657789 593854558 /nfs/dbraw/zinc/85/45/58/593854558.db2.gz MWIFQLBCKAIQOO-WQVCFCJDSA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000820657789 593854561 /nfs/dbraw/zinc/85/45/61/593854561.db2.gz MWIFQLBCKAIQOO-WQVCFCJDSA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC[NH+]1C ZINC000820657789 593854563 /nfs/dbraw/zinc/85/45/63/593854563.db2.gz MWIFQLBCKAIQOO-WQVCFCJDSA-N 2 2 330.436 1.315 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC[N@@H+]1Cc1ccccc1 ZINC000820829188 593899515 /nfs/dbraw/zinc/89/95/15/593899515.db2.gz GEJUMECIGBRBMG-QXCFHYIPSA-N 2 2 345.487 1.875 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC[N@H+]1Cc1ccccc1 ZINC000820829188 593899517 /nfs/dbraw/zinc/89/95/17/593899517.db2.gz GEJUMECIGBRBMG-QXCFHYIPSA-N 2 2 345.487 1.875 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261414 593969906 /nfs/dbraw/zinc/96/99/06/593969906.db2.gz JTXSIQPVPIOZPA-PBHICJAKSA-N 2 2 344.463 1.874 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261414 593969907 /nfs/dbraw/zinc/96/99/07/593969907.db2.gz JTXSIQPVPIOZPA-PBHICJAKSA-N 2 2 344.463 1.874 20 0 EDADLP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@@]2([NH+](C)C)CCSC2)[nH+]1 ZINC000822193169 594006559 /nfs/dbraw/zinc/00/65/59/594006559.db2.gz NRZHCADQMARVEV-HNNXBMFYSA-N 2 2 333.465 1.728 20 0 EDADLP Cc1cc(N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)nc[nH+]1 ZINC000822205781 594009466 /nfs/dbraw/zinc/00/94/66/594009466.db2.gz IJEBWCJKHVGSNY-UHFFFAOYSA-N 2 2 338.419 1.533 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000824565549 594039179 /nfs/dbraw/zinc/03/91/79/594039179.db2.gz YJLHNXLNVFUDLW-QLFBSQMISA-N 2 2 348.434 1.790 20 0 EDADLP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000824565549 594039181 /nfs/dbraw/zinc/03/91/81/594039181.db2.gz YJLHNXLNVFUDLW-QLFBSQMISA-N 2 2 348.434 1.790 20 0 EDADLP COCC1(c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)CC[NH2+]CC1 ZINC000822775137 594098906 /nfs/dbraw/zinc/09/89/06/594098906.db2.gz KZTILJOTTYBPEA-UHFFFAOYSA-N 2 2 341.415 1.884 20 0 EDADLP COc1cc(CNC(=O)Cc2[nH]cc[nH+]2)ccc1OCC[NH+](C)C ZINC000825143826 594135907 /nfs/dbraw/zinc/13/59/07/594135907.db2.gz KBOOGGLPLGOJQY-UHFFFAOYSA-N 2 2 332.404 1.218 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000823013513 594137032 /nfs/dbraw/zinc/13/70/32/594137032.db2.gz SYANIYNFZFKNCW-AWEZNQCLSA-N 2 2 330.436 1.464 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC3(CC)COC3)CC2)CC1 ZINC000823113755 594155432 /nfs/dbraw/zinc/15/54/32/594155432.db2.gz FYZBOZKWDAUYIW-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC3(CC)COC3)CC2)CC1 ZINC000823113755 594155433 /nfs/dbraw/zinc/15/54/33/594155433.db2.gz FYZBOZKWDAUYIW-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000827885188 594297071 /nfs/dbraw/zinc/29/70/71/594297071.db2.gz TVCQOQHZYGSYDT-UHFFFAOYSA-N 2 2 327.388 1.187 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000826551909 594523258 /nfs/dbraw/zinc/52/32/58/594523258.db2.gz SHPCDESDWXOTAO-NZSAHSFTSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000826551909 594523259 /nfs/dbraw/zinc/52/32/59/594523259.db2.gz SHPCDESDWXOTAO-NZSAHSFTSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC000826551909 594523260 /nfs/dbraw/zinc/52/32/60/594523260.db2.gz SHPCDESDWXOTAO-NZSAHSFTSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c1 ZINC000826551909 594523261 /nfs/dbraw/zinc/52/32/61/594523261.db2.gz SHPCDESDWXOTAO-NZSAHSFTSA-N 2 2 345.487 1.652 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC000826558053 594525689 /nfs/dbraw/zinc/52/56/89/594525689.db2.gz SQLBOEAJMMXBRE-GOSISDBHSA-N 2 2 345.487 1.796 20 0 EDADLP CCCCC[C@@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000826567041 594528708 /nfs/dbraw/zinc/52/87/08/594528708.db2.gz BRFGGJKKJNZJSR-QGZVFWFLSA-N 2 2 339.524 1.994 20 0 EDADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000831211763 594581994 /nfs/dbraw/zinc/58/19/94/594581994.db2.gz JINVYYBRWUTMKU-VXGBXAGGSA-N 2 2 327.498 1.321 20 0 EDADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000829256639 594588563 /nfs/dbraw/zinc/58/85/63/594588563.db2.gz AGDRJKOCYVYUTL-GOSISDBHSA-N 2 2 345.487 1.860 20 0 EDADLP C[NH+](C)[C@H](CC(=O)Nc1cc2n(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000829416890 594610336 /nfs/dbraw/zinc/61/03/36/594610336.db2.gz FJUGSFKWPPKUJL-MRXNPFEDSA-N 2 2 327.432 1.960 20 0 EDADLP C[NH+](C)[C@H](CC(=O)Nc1cc2n(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000829416890 594610337 /nfs/dbraw/zinc/61/03/37/594610337.db2.gz FJUGSFKWPPKUJL-MRXNPFEDSA-N 2 2 327.432 1.960 20 0 EDADLP CCO[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)C[NH+](C)C ZINC000831724572 594696452 /nfs/dbraw/zinc/69/64/52/594696452.db2.gz PENXDEMRPZCOGF-QGZVFWFLSA-N 2 2 330.432 1.628 20 0 EDADLP CC1([NH+]2CCCCC2)CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000832217094 594736089 /nfs/dbraw/zinc/73/60/89/594736089.db2.gz DXMGWFKCEBHAHF-UHFFFAOYSA-N 2 2 335.492 1.718 20 0 EDADLP CN(C(=O)C1SCCCS1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000841394144 594892808 /nfs/dbraw/zinc/89/28/08/594892808.db2.gz WCFDMDTWWUZIDT-CQSZACIVSA-N 2 2 343.562 1.810 20 0 EDADLP CN(C(=O)C1SCCCS1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000841394144 594892811 /nfs/dbraw/zinc/89/28/11/594892811.db2.gz WCFDMDTWWUZIDT-CQSZACIVSA-N 2 2 343.562 1.810 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC2CCC(O)(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000841878976 594972307 /nfs/dbraw/zinc/97/23/07/594972307.db2.gz VXIJPWOMGKBKGZ-HFCFLWKCSA-N 2 2 346.475 1.101 20 0 EDADLP C[N@H+]1CCN(C(=O)NC2CCC(O)(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000841878976 594972308 /nfs/dbraw/zinc/97/23/08/594972308.db2.gz VXIJPWOMGKBKGZ-HFCFLWKCSA-N 2 2 346.475 1.101 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC([NH3+])CC1 ZINC000843345082 595081182 /nfs/dbraw/zinc/08/11/82/595081182.db2.gz QFXKPLSZXLGSDJ-CQSZACIVSA-N 2 2 332.448 1.273 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1[NH3+] ZINC000843377082 595093336 /nfs/dbraw/zinc/09/33/36/595093336.db2.gz JCOVVWYVESKQER-WZRBSPASSA-N 2 2 331.420 1.655 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1[NH3+] ZINC000843377082 595093340 /nfs/dbraw/zinc/09/33/40/595093340.db2.gz JCOVVWYVESKQER-WZRBSPASSA-N 2 2 331.420 1.655 20 0 EDADLP CCOC(=O)C1=C(C[NH2+][C@@H](C[NH3+])C2CCCCC2)NC(=O)N[C@@H]1C ZINC000842476887 595115029 /nfs/dbraw/zinc/11/50/29/595115029.db2.gz VNQBKBLMCKYYRP-YPMHNXCESA-N 2 2 338.452 1.002 20 0 EDADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000842475683 595115205 /nfs/dbraw/zinc/11/52/05/595115205.db2.gz AGRAMMLUCKYAOU-YYHMBLRTSA-N 2 2 331.420 1.572 20 0 EDADLP NC(=O)C1=NO[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842702306 595174569 /nfs/dbraw/zinc/17/45/69/595174569.db2.gz KAAHZDIJRYJFLM-HOTGVXAUSA-N 2 2 342.443 1.403 20 0 EDADLP NC(=O)C1=NO[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842702306 595174571 /nfs/dbraw/zinc/17/45/71/595174571.db2.gz KAAHZDIJRYJFLM-HOTGVXAUSA-N 2 2 342.443 1.403 20 0 EDADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000842769326 595193590 /nfs/dbraw/zinc/19/35/90/595193590.db2.gz MVZCVZBEKHLRSJ-UHFFFAOYSA-N 2 2 337.439 1.832 20 0 EDADLP Cc1cc([C@@H]([NH3+])CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc(Cl)n1 ZINC000844178669 595293441 /nfs/dbraw/zinc/29/34/41/595293441.db2.gz GYABWRIGQHLKRE-JSGCOSHPSA-N 2 2 340.855 1.270 20 0 EDADLP Cc1cc([C@@H]([NH3+])CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc(Cl)n1 ZINC000844178669 595293442 /nfs/dbraw/zinc/29/34/42/595293442.db2.gz GYABWRIGQHLKRE-JSGCOSHPSA-N 2 2 340.855 1.270 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000846671451 595297712 /nfs/dbraw/zinc/29/77/12/595297712.db2.gz SWYKTKSHMZWAFH-STQMWFEESA-N 2 2 334.247 1.422 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000844196241 595299920 /nfs/dbraw/zinc/29/99/20/595299920.db2.gz FRGWZMRNPDHOMW-OAHLLOKOSA-N 2 2 339.386 1.198 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844227487 595310048 /nfs/dbraw/zinc/31/00/48/595310048.db2.gz WVQQKAGUGCHVHH-VCBZYWHSSA-N 2 2 346.475 1.438 20 0 EDADLP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178738 595372010 /nfs/dbraw/zinc/37/20/10/595372010.db2.gz SQZRJTBLUMCQML-OIPACUDHSA-N 2 2 343.487 1.813 20 0 EDADLP C[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178738 595372013 /nfs/dbraw/zinc/37/20/13/595372013.db2.gz SQZRJTBLUMCQML-OIPACUDHSA-N 2 2 343.487 1.813 20 0 EDADLP C[C@@H](CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178738 595372019 /nfs/dbraw/zinc/37/20/19/595372019.db2.gz SQZRJTBLUMCQML-OIPACUDHSA-N 2 2 343.487 1.813 20 0 EDADLP CCOCC[N@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844696808 595376681 /nfs/dbraw/zinc/37/66/81/595376681.db2.gz CZVIAEXRDBCRHP-OALUTQOASA-N 2 2 345.487 1.893 20 0 EDADLP CCOCC[N@@H+](C)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844696808 595376684 /nfs/dbraw/zinc/37/66/84/595376684.db2.gz CZVIAEXRDBCRHP-OALUTQOASA-N 2 2 345.487 1.893 20 0 EDADLP CCOCC[NH+](C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844696808 595376687 /nfs/dbraw/zinc/37/66/87/595376687.db2.gz CZVIAEXRDBCRHP-OALUTQOASA-N 2 2 345.487 1.893 20 0 EDADLP CCOCC[NH+](C)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844696808 595376690 /nfs/dbraw/zinc/37/66/90/595376690.db2.gz CZVIAEXRDBCRHP-OALUTQOASA-N 2 2 345.487 1.893 20 0 EDADLP C/C(=C\c1cccnc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485530 595431652 /nfs/dbraw/zinc/43/16/52/595431652.db2.gz FWJBDJWBRDXIIR-VMEIHUARSA-N 2 2 328.460 1.770 20 0 EDADLP C/C(=C\c1cccnc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485530 595431654 /nfs/dbraw/zinc/43/16/54/595431654.db2.gz FWJBDJWBRDXIIR-VMEIHUARSA-N 2 2 328.460 1.770 20 0 EDADLP C[C@@H]1CN(C(=[NH2+])NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000849094515 595480661 /nfs/dbraw/zinc/48/06/61/595480661.db2.gz MDQKYGGANLVDRO-WBVHZDCISA-N 2 2 332.448 1.132 20 0 EDADLP C[C@@H]1CN(C(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000849094515 595480662 /nfs/dbraw/zinc/48/06/62/595480662.db2.gz MDQKYGGANLVDRO-WBVHZDCISA-N 2 2 332.448 1.132 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000849327803 595506784 /nfs/dbraw/zinc/50/67/84/595506784.db2.gz SISUKXIIQJYINI-ZBFHGGJFSA-N 2 2 340.489 1.586 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000849327803 595506785 /nfs/dbraw/zinc/50/67/85/595506785.db2.gz SISUKXIIQJYINI-ZBFHGGJFSA-N 2 2 340.489 1.586 20 0 EDADLP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000849490717 595548971 /nfs/dbraw/zinc/54/89/71/595548971.db2.gz PFJWJLOQNQGQSF-QZTJIDSGSA-N 2 2 341.459 1.998 20 0 EDADLP Cc1cc(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)cc[nH+]1 ZINC000849490717 595548975 /nfs/dbraw/zinc/54/89/75/595548975.db2.gz PFJWJLOQNQGQSF-QZTJIDSGSA-N 2 2 341.459 1.998 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2ccns2)C1 ZINC000860051922 595558405 /nfs/dbraw/zinc/55/84/05/595558405.db2.gz QDLKNHUCJNPVAX-ZIAGYGMSSA-N 2 2 340.493 1.267 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2ccns2)C1 ZINC000860051922 595558407 /nfs/dbraw/zinc/55/84/07/595558407.db2.gz QDLKNHUCJNPVAX-ZIAGYGMSSA-N 2 2 340.493 1.267 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000855021034 595567548 /nfs/dbraw/zinc/56/75/48/595567548.db2.gz XVVSJDFZBRSFRB-IAGOWNOFSA-N 2 2 340.427 1.454 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000855021034 595567552 /nfs/dbraw/zinc/56/75/52/595567552.db2.gz XVVSJDFZBRSFRB-IAGOWNOFSA-N 2 2 340.427 1.454 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nnc2ccccc2c1O ZINC000855345754 595680892 /nfs/dbraw/zinc/68/08/92/595680892.db2.gz HYKWLSJXLTWONG-ZDUSSCGKSA-N 2 2 345.447 1.337 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nnc2ccccc2c1O ZINC000855345754 595680896 /nfs/dbraw/zinc/68/08/96/595680896.db2.gz HYKWLSJXLTWONG-ZDUSSCGKSA-N 2 2 345.447 1.337 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000853590000 595818636 /nfs/dbraw/zinc/81/86/36/595818636.db2.gz PIZDPAUNNSPBMZ-OAHLLOKOSA-N 2 2 342.447 1.939 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000853590000 595818638 /nfs/dbraw/zinc/81/86/38/595818638.db2.gz PIZDPAUNNSPBMZ-OAHLLOKOSA-N 2 2 342.447 1.939 20 0 EDADLP Cc1nonc1CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000853686361 595855317 /nfs/dbraw/zinc/85/53/17/595855317.db2.gz YJKXMHQLMSXVAN-OAHLLOKOSA-N 2 2 331.376 1.277 20 0 EDADLP Cc1nonc1CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000853686361 595855320 /nfs/dbraw/zinc/85/53/20/595855320.db2.gz YJKXMHQLMSXVAN-OAHLLOKOSA-N 2 2 331.376 1.277 20 0 EDADLP Cn1cc[nH+]c1C([N-]c1nc(N2CCCC2)cc[nH+]1)c1[nH+]ccn1C ZINC000858687211 595864760 /nfs/dbraw/zinc/86/47/60/595864760.db2.gz ISXGLSIZGXJGCZ-UHFFFAOYSA-N 2 2 338.419 1.745 20 0 EDADLP C[NH+](C)C1CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851726418 595899090 /nfs/dbraw/zinc/89/90/90/595899090.db2.gz RCSCHEQPOJGFBN-OAHLLOKOSA-N 2 2 327.469 1.648 20 0 EDADLP NC(=O)[C@@](O)(C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000851728520 595899876 /nfs/dbraw/zinc/89/98/76/595899876.db2.gz OOYVEHNHUFGVOO-LJQANCHMSA-N 2 2 331.460 1.310 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)S1 ZINC000851852863 595947618 /nfs/dbraw/zinc/94/76/18/595947618.db2.gz QTZSDWFTIVOARH-KFWWJZLASA-N 2 2 326.510 1.205 20 0 EDADLP O=C(NCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C(F)(F)F ZINC000852008069 596006541 /nfs/dbraw/zinc/00/65/41/596006541.db2.gz DSYIJYFOSLJIIQ-CYBMUJFWSA-N 2 2 337.386 1.242 20 0 EDADLP O=C(NCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C(F)(F)F ZINC000852008069 596006545 /nfs/dbraw/zinc/00/65/45/596006545.db2.gz DSYIJYFOSLJIIQ-CYBMUJFWSA-N 2 2 337.386 1.242 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N(C)OC)C2)ccn1 ZINC000856587181 596024752 /nfs/dbraw/zinc/02/47/52/596024752.db2.gz WVTJWHVWZHWDSF-MRXNPFEDSA-N 2 2 336.436 1.006 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)N(C)OC)C2)ccn1 ZINC000856587181 596024755 /nfs/dbraw/zinc/02/47/55/596024755.db2.gz WVTJWHVWZHWDSF-MRXNPFEDSA-N 2 2 336.436 1.006 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)N(C)OC)C2)ccn1 ZINC000856587181 596024760 /nfs/dbraw/zinc/02/47/60/596024760.db2.gz WVTJWHVWZHWDSF-MRXNPFEDSA-N 2 2 336.436 1.006 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)N(C)OC)C2)ccn1 ZINC000856587181 596024765 /nfs/dbraw/zinc/02/47/65/596024765.db2.gz WVTJWHVWZHWDSF-MRXNPFEDSA-N 2 2 336.436 1.006 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000861551013 596027216 /nfs/dbraw/zinc/02/72/16/596027216.db2.gz CIYOYUVWOYEOTN-HNNXBMFYSA-N 2 2 328.420 1.407 20 0 EDADLP Cc1nc(NC2CC2)sc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000857307813 596209953 /nfs/dbraw/zinc/20/99/53/596209953.db2.gz CDVJJGNFVSWVQO-UHFFFAOYSA-N 2 2 339.509 1.639 20 0 EDADLP Cc1nc(NC2CC2)sc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000857307813 596209955 /nfs/dbraw/zinc/20/99/55/596209955.db2.gz CDVJJGNFVSWVQO-UHFFFAOYSA-N 2 2 339.509 1.639 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852738874 596236776 /nfs/dbraw/zinc/23/67/76/596236776.db2.gz BTXCSFAGCWHYOO-ZIAGYGMSSA-N 2 2 326.416 1.900 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852738874 596236777 /nfs/dbraw/zinc/23/67/77/596236777.db2.gz BTXCSFAGCWHYOO-ZIAGYGMSSA-N 2 2 326.416 1.900 20 0 EDADLP O=C([C@@H]1CCCN(CC(F)F)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868631178 596253441 /nfs/dbraw/zinc/25/34/41/596253441.db2.gz GXWGJLJCWHPCLS-HUUCEWRRSA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868631178 596253444 /nfs/dbraw/zinc/25/34/44/596253444.db2.gz GXWGJLJCWHPCLS-HUUCEWRRSA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000868631178 596253446 /nfs/dbraw/zinc/25/34/46/596253446.db2.gz GXWGJLJCWHPCLS-HUUCEWRRSA-N 2 2 345.434 1.287 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)Cc3ccc[nH+]c3N2C1 ZINC000870537154 596274802 /nfs/dbraw/zinc/27/48/02/596274802.db2.gz SMDJAUCAWBLDNE-MXASKKJJSA-N 2 2 344.459 1.358 20 0 EDADLP CO[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)Cc3ccc[nH+]c3N2C1 ZINC000870537154 596274807 /nfs/dbraw/zinc/27/48/07/596274807.db2.gz SMDJAUCAWBLDNE-MXASKKJJSA-N 2 2 344.459 1.358 20 0 EDADLP CC[C@H](C(=O)N1Cc2ccc[nH+]c2N2C[C@H](OC)C[C@@H]2C1)[NH+](C)C ZINC000870537248 596275735 /nfs/dbraw/zinc/27/57/35/596275735.db2.gz KLMSBVQEECTJPM-BZUAXINKSA-N 2 2 332.448 1.358 20 0 EDADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000864703801 596313824 /nfs/dbraw/zinc/31/38/24/596313824.db2.gz XHICCZLRBSFCKZ-INIZCTEOSA-N 2 2 348.834 1.831 20 0 EDADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000864703801 596313829 /nfs/dbraw/zinc/31/38/29/596313829.db2.gz XHICCZLRBSFCKZ-INIZCTEOSA-N 2 2 348.834 1.831 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1 ZINC000870665385 596314403 /nfs/dbraw/zinc/31/44/03/596314403.db2.gz RZWDSTCPULTDLD-KOHRHEQBSA-N 2 2 344.459 1.977 20 0 EDADLP CCO[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@@H]1CCOC1 ZINC000870665560 596314735 /nfs/dbraw/zinc/31/47/35/596314735.db2.gz ZDFPCLIDBFBWKO-PBHICJAKSA-N 2 2 348.447 1.214 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)([NH+]2CCCCC2)CC1 ZINC000870894004 596393564 /nfs/dbraw/zinc/39/35/64/596393564.db2.gz CNLYNULSSFWIDY-GJYPPUQNSA-N 3 2 334.508 1.180 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000869108795 596413259 /nfs/dbraw/zinc/41/32/59/596413259.db2.gz VKKPAAKSMOGVRS-JQHSSLGASA-N 2 2 328.460 1.909 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000869108795 596413261 /nfs/dbraw/zinc/41/32/61/596413261.db2.gz VKKPAAKSMOGVRS-JQHSSLGASA-N 2 2 328.460 1.909 20 0 EDADLP C[NH+]1CC[C@H]2CN(C(=O)NC[C@H]3c4ccccc4C[N@H+]3C)CC[C@H]21 ZINC000869108795 596413263 /nfs/dbraw/zinc/41/32/63/596413263.db2.gz VKKPAAKSMOGVRS-JQHSSLGASA-N 2 2 328.460 1.909 20 0 EDADLP C[NH+]1CC[C@H]2CN(C(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)CC[C@H]21 ZINC000869108795 596413265 /nfs/dbraw/zinc/41/32/65/596413265.db2.gz VKKPAAKSMOGVRS-JQHSSLGASA-N 2 2 328.460 1.909 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000870979174 596426662 /nfs/dbraw/zinc/42/66/62/596426662.db2.gz HOYFNQNOHADFNZ-FUHWJXTLSA-N 2 2 339.443 1.724 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000870979174 596426665 /nfs/dbraw/zinc/42/66/65/596426665.db2.gz HOYFNQNOHADFNZ-FUHWJXTLSA-N 2 2 339.443 1.724 20 0 EDADLP c1cn(-c2ccc(C[NH2+]Cc3cn(C[C@H]4CCOC4)nn3)cc2)c[nH+]1 ZINC000865431631 596572811 /nfs/dbraw/zinc/57/28/11/596572811.db2.gz PQRBFMBBXUMKPY-MRXNPFEDSA-N 2 2 338.415 1.790 20 0 EDADLP C[C@H](C(=O)N1Cc2ccc[nH+]c2N2CCC[C@@H]2C1)N1CC[NH+](C)CC1 ZINC000871418814 596576182 /nfs/dbraw/zinc/57/61/82/596576182.db2.gz LGLDZDVPDPOCNC-NVXWUHKLSA-N 2 2 343.475 1.029 20 0 EDADLP O=C(Cc1cn2cc(F)ccc2[nH+]1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000867857001 596587949 /nfs/dbraw/zinc/58/79/49/596587949.db2.gz CBAQBXLLMMXTPQ-LSDHHAIUSA-N 2 2 334.370 1.661 20 0 EDADLP Cc1ccc(OCC[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000863545968 596613876 /nfs/dbraw/zinc/61/38/76/596613876.db2.gz CNZUJVJYCDUYED-UHFFFAOYSA-N 2 2 332.448 1.017 20 0 EDADLP c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(OCC[NH+]3CCOCC3)cc1)CC2 ZINC000865582647 596617362 /nfs/dbraw/zinc/61/73/62/596617362.db2.gz LQFJHVAMGANRRF-SFHVURJKSA-N 2 2 342.443 1.829 20 0 EDADLP CC[C@H](C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000871543001 596621735 /nfs/dbraw/zinc/62/17/35/596621735.db2.gz LVGQBBMMNQXOMW-CQSZACIVSA-N 2 2 327.469 1.249 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCC[NH+](C)C)C2)cc1 ZINC000867980919 596643459 /nfs/dbraw/zinc/64/34/59/596643459.db2.gz BXLYQVASXIXIRJ-SFHVURJKSA-N 2 2 348.491 1.447 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCC[NH+](C)C)C2)cc1 ZINC000867980919 596643462 /nfs/dbraw/zinc/64/34/62/596643462.db2.gz BXLYQVASXIXIRJ-SFHVURJKSA-N 2 2 348.491 1.447 20 0 EDADLP c1ccc(CNc2cc(N3CC[N@@H+]4CCOC[C@@H]4C3)nc[nH+]2)cc1 ZINC000865676548 596646322 /nfs/dbraw/zinc/64/63/22/596646322.db2.gz NWBQHGYREGPYLO-INIZCTEOSA-N 2 2 325.416 1.610 20 0 EDADLP c1ccc(CNc2cc(N3CC[N@H+]4CCOC[C@@H]4C3)nc[nH+]2)cc1 ZINC000865676548 596646327 /nfs/dbraw/zinc/64/63/27/596646327.db2.gz NWBQHGYREGPYLO-INIZCTEOSA-N 2 2 325.416 1.610 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C2)c1 ZINC000867997869 596648014 /nfs/dbraw/zinc/64/80/14/596648014.db2.gz LGLKLPYQPHOQSU-BHIYHBOVSA-N 2 2 347.503 1.931 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C2)c1 ZINC000867997869 596648016 /nfs/dbraw/zinc/64/80/16/596648016.db2.gz LGLKLPYQPHOQSU-BHIYHBOVSA-N 2 2 347.503 1.931 20 0 EDADLP COCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000865750299 596670241 /nfs/dbraw/zinc/67/02/41/596670241.db2.gz NFQHHJYGEHDMSL-MRXNPFEDSA-N 2 2 349.450 1.870 20 0 EDADLP COCc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000865750299 596670247 /nfs/dbraw/zinc/67/02/47/596670247.db2.gz NFQHHJYGEHDMSL-MRXNPFEDSA-N 2 2 349.450 1.870 20 0 EDADLP Cc1conc1CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000871740247 596682676 /nfs/dbraw/zinc/68/26/76/596682676.db2.gz JHHOCOSHIYSLLS-MRXNPFEDSA-N 2 2 330.388 1.882 20 0 EDADLP Cc1conc1CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000871740247 596682679 /nfs/dbraw/zinc/68/26/79/596682679.db2.gz JHHOCOSHIYSLLS-MRXNPFEDSA-N 2 2 330.388 1.882 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000871760438 596688197 /nfs/dbraw/zinc/68/81/97/596688197.db2.gz LPPLBEOBBIPRKM-QGZVFWFLSA-N 2 2 334.464 1.981 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868110174 596689612 /nfs/dbraw/zinc/68/96/12/596689612.db2.gz VBLLEAQZLMQLRW-MSOLQXFVSA-N 2 2 344.459 1.877 20 0 EDADLP C[C@H](O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[nH+]c1 ZINC000865803269 596691185 /nfs/dbraw/zinc/69/11/85/596691185.db2.gz XCFVKEQHXKSABJ-WWTUQBGBSA-N 2 2 332.448 1.630 20 0 EDADLP C[C@H](O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[nH+]c1 ZINC000865803269 596691188 /nfs/dbraw/zinc/69/11/88/596691188.db2.gz XCFVKEQHXKSABJ-WWTUQBGBSA-N 2 2 332.448 1.630 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)c2c(O)cc(F)cc2F)C[C@H]1C[NH+](C)C ZINC000870020371 596711586 /nfs/dbraw/zinc/71/15/86/596711586.db2.gz OESNGHYWHATIHB-VXGBXAGGSA-N 2 2 341.402 1.482 20 0 EDADLP C[NH+]1CCC2(CC1)CN(c1nc(N)[nH+]c(C3CCCC3)n1)CCO2 ZINC000865901495 596716342 /nfs/dbraw/zinc/71/63/42/596716342.db2.gz BLJBSDRUDWUFKQ-UHFFFAOYSA-N 2 2 332.452 1.412 20 0 EDADLP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000870134714 596765719 /nfs/dbraw/zinc/76/57/19/596765719.db2.gz TUMPUJUCNGGKCI-UHFFFAOYSA-N 2 2 343.471 1.911 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)cn21 ZINC000868288172 596768442 /nfs/dbraw/zinc/76/84/42/596768442.db2.gz ZRBYJPFVIAKULC-HOCLYGCPSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)cn21 ZINC000868288172 596768444 /nfs/dbraw/zinc/76/84/44/596768444.db2.gz ZRBYJPFVIAKULC-HOCLYGCPSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)[nH+]c12 ZINC000868330991 596788954 /nfs/dbraw/zinc/78/89/54/596788954.db2.gz PMPWOQKPTJIZAS-DOTOQJQBSA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)[nH+]c12 ZINC000868330991 596788955 /nfs/dbraw/zinc/78/89/55/596788955.db2.gz PMPWOQKPTJIZAS-DOTOQJQBSA-N 2 2 341.459 1.921 20 0 EDADLP CN1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)Cc2ccc[nH+]c21 ZINC000868354096 596797149 /nfs/dbraw/zinc/79/71/49/596797149.db2.gz DKUNVSIQFIJHND-QGZVFWFLSA-N 2 2 349.504 1.480 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000866140983 596802040 /nfs/dbraw/zinc/80/20/40/596802040.db2.gz OJROKEDIMFQWFM-HNNXBMFYSA-N 2 2 343.431 1.689 20 0 EDADLP COc1c(N)[nH+]cnc1NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000866140983 596802042 /nfs/dbraw/zinc/80/20/42/596802042.db2.gz OJROKEDIMFQWFM-HNNXBMFYSA-N 2 2 343.431 1.689 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147507 596811220 /nfs/dbraw/zinc/81/12/20/596811220.db2.gz JBBJKRNLRZCDFW-RDBSUJKOSA-N 2 2 329.366 1.885 20 0 EDADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147507 596811223 /nfs/dbraw/zinc/81/12/23/596811223.db2.gz JBBJKRNLRZCDFW-RDBSUJKOSA-N 2 2 329.366 1.885 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCCc2ccccc2)C[C@@H]1C(F)(F)F ZINC000872149005 596812066 /nfs/dbraw/zinc/81/20/66/596812066.db2.gz RXPXITYOAMULAP-GJZGRUSLSA-N 2 2 343.393 1.804 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCCc2ccccc2)C[C@@H]1C(F)(F)F ZINC000872149005 596812068 /nfs/dbraw/zinc/81/20/68/596812068.db2.gz RXPXITYOAMULAP-GJZGRUSLSA-N 2 2 343.393 1.804 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C(F)(F)F ZINC000872149275 596812592 /nfs/dbraw/zinc/81/25/92/596812592.db2.gz NHWYNXNKDAKEAJ-ZYHUDNBSSA-N 2 2 340.349 1.947 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C(F)(F)F ZINC000872149275 596812595 /nfs/dbraw/zinc/81/25/95/596812595.db2.gz NHWYNXNKDAKEAJ-ZYHUDNBSSA-N 2 2 340.349 1.947 20 0 EDADLP Cc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000872149585 596812689 /nfs/dbraw/zinc/81/26/89/596812689.db2.gz OTDYSZBAOKNUML-KGLIPLIRSA-N 2 2 329.366 1.680 20 0 EDADLP Cc1cccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000872149585 596812690 /nfs/dbraw/zinc/81/26/90/596812690.db2.gz OTDYSZBAOKNUML-KGLIPLIRSA-N 2 2 329.366 1.680 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@H]1C(F)(F)F ZINC000872150980 596813490 /nfs/dbraw/zinc/81/34/90/596813490.db2.gz IAXBJHUTIYWBBN-STQMWFEESA-N 2 2 325.338 1.836 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)C[C@@H]1C(F)(F)F ZINC000872150980 596813492 /nfs/dbraw/zinc/81/34/92/596813492.db2.gz IAXBJHUTIYWBBN-STQMWFEESA-N 2 2 325.338 1.836 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000864398325 596882581 /nfs/dbraw/zinc/88/25/81/596882581.db2.gz WQPSCHYIUABVOG-QPJJXVBHSA-N 2 2 329.444 1.219 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)on1 ZINC000866515360 596895036 /nfs/dbraw/zinc/89/50/36/596895036.db2.gz HOAGPKOXQKAHFN-AWEZNQCLSA-N 2 2 337.420 1.584 20 0 EDADLP CO[C@H]1C[C@H]2CN(C(=O)NC[C@H](C)[NH+](C)C)Cc3ccc[nH+]c3N2C1 ZINC000875644000 596931355 /nfs/dbraw/zinc/93/13/55/596931355.db2.gz APAUOOYSRKSZIW-BPUTZDHNSA-N 2 2 347.463 1.151 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CC3(CCC3)CO2)CC1 ZINC000888684040 597018497 /nfs/dbraw/zinc/01/84/97/597018497.db2.gz SZRDLEKLTOFJHT-INIZCTEOSA-N 2 2 338.496 1.271 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000872779992 597065410 /nfs/dbraw/zinc/06/54/10/597065410.db2.gz UNQCPBXXLNICQC-HUUCEWRRSA-N 2 2 331.464 1.501 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000872779992 597065413 /nfs/dbraw/zinc/06/54/13/597065413.db2.gz UNQCPBXXLNICQC-HUUCEWRRSA-N 2 2 331.464 1.501 20 0 EDADLP Cc1csc([C@H]2CC[N@@H+](CN3C[C@@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000872806249 597078056 /nfs/dbraw/zinc/07/80/56/597078056.db2.gz MOJDFKHETXGUQA-KBPBESRZSA-N 2 2 345.472 1.948 20 0 EDADLP Cc1csc([C@H]2CC[N@H+](CN3C[C@@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000872806249 597078061 /nfs/dbraw/zinc/07/80/61/597078061.db2.gz MOJDFKHETXGUQA-KBPBESRZSA-N 2 2 345.472 1.948 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000876203949 597133599 /nfs/dbraw/zinc/13/35/99/597133599.db2.gz RUKSGGYVNWUDKB-GDBMZVCRSA-N 2 2 331.464 1.904 20 0 EDADLP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000876203949 597133601 /nfs/dbraw/zinc/13/36/01/597133601.db2.gz RUKSGGYVNWUDKB-GDBMZVCRSA-N 2 2 331.464 1.904 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)CCc1ccccc1 ZINC000874710745 597156204 /nfs/dbraw/zinc/15/62/04/597156204.db2.gz RHNXEASXPBIPLK-SFHVURJKSA-N 2 2 333.476 1.388 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)CCc1ccccc1 ZINC000874710745 597156206 /nfs/dbraw/zinc/15/62/06/597156206.db2.gz RHNXEASXPBIPLK-SFHVURJKSA-N 2 2 333.476 1.388 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000874710745 597156207 /nfs/dbraw/zinc/15/62/07/597156207.db2.gz RHNXEASXPBIPLK-SFHVURJKSA-N 2 2 333.476 1.388 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000874710745 597156209 /nfs/dbraw/zinc/15/62/09/597156209.db2.gz RHNXEASXPBIPLK-SFHVURJKSA-N 2 2 333.476 1.388 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H]1C(F)(F)F ZINC000873322533 597256405 /nfs/dbraw/zinc/25/64/05/597256405.db2.gz JXBILMPOJXXPDJ-GXSJLCMTSA-N 2 2 327.310 1.935 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)c3c(C[NH3+])cnn3C)CC2)c1 ZINC000876709570 597297015 /nfs/dbraw/zinc/29/70/15/597297015.db2.gz VCDQUHYVUXFKGV-UHFFFAOYSA-N 2 2 327.432 1.145 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)c3c(C[NH3+])cnn3C)CC2)s1 ZINC000876751761 597322462 /nfs/dbraw/zinc/32/24/62/597322462.db2.gz XJVUZURIFHHIMO-UHFFFAOYSA-N 2 2 347.488 1.461 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000875484072 597447994 /nfs/dbraw/zinc/44/79/94/597447994.db2.gz GJOGLDOGIIDFQE-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000875484072 597447997 /nfs/dbraw/zinc/44/79/97/597447997.db2.gz GJOGLDOGIIDFQE-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877257930 597482057 /nfs/dbraw/zinc/48/20/57/597482057.db2.gz UOPOIUKJFPZKFM-PXNSSMCTSA-N 2 2 346.519 1.669 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@H]1C(F)(F)F ZINC000877361641 597501510 /nfs/dbraw/zinc/50/15/10/597501510.db2.gz UDMQALPHMOMTHW-ZYHUDNBSSA-N 2 2 326.322 1.472 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000877434042 597515049 /nfs/dbraw/zinc/51/50/49/597515049.db2.gz MIBWXSQEPZMHDJ-MJGOQNOKSA-N 2 2 331.460 1.145 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000877434042 597515050 /nfs/dbraw/zinc/51/50/50/597515050.db2.gz MIBWXSQEPZMHDJ-MJGOQNOKSA-N 2 2 331.460 1.145 20 0 EDADLP O=C(C[NH2+]Cc1ccc(Cl)nn1)NCC[NH+]1CCCCCC1 ZINC000877548602 597533560 /nfs/dbraw/zinc/53/35/60/597533560.db2.gz NMDLGGPTJQHTGR-UHFFFAOYSA-N 2 2 325.844 1.212 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877665299 597545952 /nfs/dbraw/zinc/54/59/52/597545952.db2.gz PSPBKJWXDZCCJB-AWEZNQCLSA-N 2 2 343.512 1.972 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877665299 597545953 /nfs/dbraw/zinc/54/59/53/597545953.db2.gz PSPBKJWXDZCCJB-AWEZNQCLSA-N 2 2 343.512 1.972 20 0 EDADLP CCOC(=O)CC(C)(C)C[NH+]1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877670046 597546571 /nfs/dbraw/zinc/54/65/71/597546571.db2.gz GNOQFGOANOHHMT-HZPDHXFCSA-N 3 2 327.513 1.637 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877743594 597552288 /nfs/dbraw/zinc/55/22/88/597552288.db2.gz WYNBLEMDHOLCPQ-AEFFLSMTSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877743594 597552289 /nfs/dbraw/zinc/55/22/89/597552289.db2.gz WYNBLEMDHOLCPQ-AEFFLSMTSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877743594 597552290 /nfs/dbraw/zinc/55/22/90/597552290.db2.gz WYNBLEMDHOLCPQ-AEFFLSMTSA-N 2 2 348.491 1.978 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877743594 597552291 /nfs/dbraw/zinc/55/22/91/597552291.db2.gz WYNBLEMDHOLCPQ-AEFFLSMTSA-N 2 2 348.491 1.978 20 0 EDADLP O=S1(=O)C[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000877788276 597556701 /nfs/dbraw/zinc/55/67/01/597556701.db2.gz UQUNRIXVXPDWKO-HOTGVXAUSA-N 2 2 331.441 1.739 20 0 EDADLP O=S1(=O)C[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]2C1 ZINC000877788276 597556702 /nfs/dbraw/zinc/55/67/02/597556702.db2.gz UQUNRIXVXPDWKO-HOTGVXAUSA-N 2 2 331.441 1.739 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878285620 597592572 /nfs/dbraw/zinc/59/25/72/597592572.db2.gz DGSPETWSPSWJSQ-SJORKVTESA-N 2 2 330.432 1.027 20 0 EDADLP C[C@@H](ONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ncccn1 ZINC000882987431 597608713 /nfs/dbraw/zinc/60/87/13/597608713.db2.gz FMEVKCQMCPYCBR-GDBMZVCRSA-N 2 2 341.415 1.937 20 0 EDADLP C[C@@H](ONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ncccn1 ZINC000882987431 597608717 /nfs/dbraw/zinc/60/87/17/597608717.db2.gz FMEVKCQMCPYCBR-GDBMZVCRSA-N 2 2 341.415 1.937 20 0 EDADLP OCC1(C[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCC1 ZINC000878552637 597632719 /nfs/dbraw/zinc/63/27/19/597632719.db2.gz SBBGHEGQWRDXGN-ROUUACIJSA-N 2 2 340.508 1.477 20 0 EDADLP OCC1(C[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCC1 ZINC000878552637 597632722 /nfs/dbraw/zinc/63/27/22/597632722.db2.gz SBBGHEGQWRDXGN-ROUUACIJSA-N 2 2 340.508 1.477 20 0 EDADLP COc1ccc([C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)cc1 ZINC000879634200 597666636 /nfs/dbraw/zinc/66/66/36/597666636.db2.gz PDSUESAHDIEXIH-GOSISDBHSA-N 2 2 347.459 1.233 20 0 EDADLP COc1ccc([C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CCO2)cc1 ZINC000879634200 597666640 /nfs/dbraw/zinc/66/66/40/597666640.db2.gz PDSUESAHDIEXIH-GOSISDBHSA-N 2 2 347.459 1.233 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000878675362 597675520 /nfs/dbraw/zinc/67/55/20/597675520.db2.gz OQTMSIDZPGAYAH-VXGBXAGGSA-N 2 2 330.354 1.305 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000878675362 597675522 /nfs/dbraw/zinc/67/55/22/597675522.db2.gz OQTMSIDZPGAYAH-VXGBXAGGSA-N 2 2 330.354 1.305 20 0 EDADLP CC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCOC1 ZINC000883371663 597726148 /nfs/dbraw/zinc/72/61/48/597726148.db2.gz UEGRJIIASCBCLT-OTWHNJEPSA-N 2 2 339.524 1.578 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880147034 597856802 /nfs/dbraw/zinc/85/68/02/597856802.db2.gz QEAXRMDHJPPCKR-HOTGVXAUSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880147034 597856805 /nfs/dbraw/zinc/85/68/05/597856805.db2.gz QEAXRMDHJPPCKR-HOTGVXAUSA-N 2 2 346.475 1.212 20 0 EDADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCCCn2cccn2)CC1 ZINC000880251082 597882665 /nfs/dbraw/zinc/88/26/65/597882665.db2.gz YSHBRGSVWDVLTN-UHFFFAOYSA-N 2 2 347.507 1.859 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000880264454 597887677 /nfs/dbraw/zinc/88/76/77/597887677.db2.gz WORDYSCKFCOVAL-INIZCTEOSA-N 3 2 345.491 1.193 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000880264454 597887680 /nfs/dbraw/zinc/88/76/80/597887680.db2.gz WORDYSCKFCOVAL-INIZCTEOSA-N 3 2 345.491 1.193 20 0 EDADLP CO[C@H]1COCC[C@H]1[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000880436520 597934523 /nfs/dbraw/zinc/93/45/23/597934523.db2.gz WXESYTSEFMDQQS-MOPGFXCFSA-N 2 2 334.460 1.755 20 0 EDADLP CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000880436520 597934526 /nfs/dbraw/zinc/93/45/26/597934526.db2.gz WXESYTSEFMDQQS-MOPGFXCFSA-N 2 2 334.460 1.755 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CC3CC3)C2)c1 ZINC000884469954 598113770 /nfs/dbraw/zinc/11/37/70/598113770.db2.gz AQLOPTJJLMBNCS-QZTJIDSGSA-N 2 2 331.460 1.439 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H]([NH3+])CC3CC3)C2)c1 ZINC000884469954 598113772 /nfs/dbraw/zinc/11/37/72/598113772.db2.gz AQLOPTJJLMBNCS-QZTJIDSGSA-N 2 2 331.460 1.439 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000914074550 695069675 /nfs/dbraw/zinc/06/96/75/695069675.db2.gz HQFCYKFFRUUZCP-MRXNPFEDSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000914074770 695069722 /nfs/dbraw/zinc/06/97/22/695069722.db2.gz LSQMRAILPXOMHK-GVDBMIGSSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000914074770 695069727 /nfs/dbraw/zinc/06/97/27/695069727.db2.gz LSQMRAILPXOMHK-GVDBMIGSSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000914084457 695075604 /nfs/dbraw/zinc/07/56/04/695075604.db2.gz GSSWNMIBBNSPND-KLHKWILBSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1[NH2+]CCF ZINC000939815927 699974731 /nfs/dbraw/zinc/97/47/31/699974731.db2.gz MOHUKQCJWZILSB-GXTWGEPZSA-N 2 2 325.453 1.512 20 0 EDADLP C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1[NH2+]CCF ZINC000939815927 699974733 /nfs/dbraw/zinc/97/47/33/699974733.db2.gz MOHUKQCJWZILSB-GXTWGEPZSA-N 2 2 325.453 1.512 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC000992758730 695289417 /nfs/dbraw/zinc/28/94/17/695289417.db2.gz SNPVOODRTXZZEZ-BBWFWOEESA-N 2 2 330.476 1.979 20 0 EDADLP CCCc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cs1 ZINC000939856514 699995392 /nfs/dbraw/zinc/99/53/92/699995392.db2.gz NPCNMAVPAHPUMV-UKRRQHHQSA-N 2 2 347.488 1.929 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000914342227 695366869 /nfs/dbraw/zinc/36/68/69/695366869.db2.gz XAXWMCYDNRGJEZ-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000914342227 695366870 /nfs/dbraw/zinc/36/68/70/695366870.db2.gz XAXWMCYDNRGJEZ-BRWVUGGUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000939857465 699996703 /nfs/dbraw/zinc/99/67/03/699996703.db2.gz TXCARPCOTKGWKO-CRAIPNDOSA-N 2 2 341.459 1.586 20 0 EDADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939857680 699996711 /nfs/dbraw/zinc/99/67/11/699996711.db2.gz TYQLKFPIFYCEIG-WFASDCNBSA-N 2 2 333.823 1.568 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)o1 ZINC000992826148 695386327 /nfs/dbraw/zinc/38/63/27/695386327.db2.gz AKAQHIWHFPBTJR-KBRIMQKVSA-N 2 2 343.431 1.666 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]32)o1 ZINC000992828361 695390899 /nfs/dbraw/zinc/39/08/99/695390899.db2.gz CBAGPKVOVTXABR-NUEKZKHPSA-N 2 2 343.431 1.666 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc(C(C)(C)C)on1 ZINC000939858606 699997855 /nfs/dbraw/zinc/99/78/55/699997855.db2.gz ZIFXCCMEJGPKLN-HIFRSBDPSA-N 2 2 345.447 1.805 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992850398 695410226 /nfs/dbraw/zinc/41/02/26/695410226.db2.gz GDTPRIVAULFVGX-IAOVAPTHSA-N 2 2 343.431 1.368 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000939855253 699993112 /nfs/dbraw/zinc/99/31/12/699993112.db2.gz CDUBCCABDBECHJ-DYVFJYSZSA-N 2 2 346.406 1.151 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cscn3)[C@@H]2C1 ZINC000992925498 695456845 /nfs/dbraw/zinc/45/68/45/695456845.db2.gz PCTLNLXIRQGXFL-NUEKZKHPSA-N 2 2 345.472 1.757 20 0 EDADLP COc1cc[nH+]c(CN2CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)c1 ZINC001031082590 695485979 /nfs/dbraw/zinc/48/59/79/695485979.db2.gz QPUICHHUWUKDLQ-FUHWJXTLSA-N 2 2 344.459 1.408 20 0 EDADLP COc1cc[nH+]c(CN2CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)c1 ZINC001031082590 695485980 /nfs/dbraw/zinc/48/59/80/695485980.db2.gz QPUICHHUWUKDLQ-FUHWJXTLSA-N 2 2 344.459 1.408 20 0 EDADLP Cc1nc(N[C@@H]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]23)cc[nH+]1 ZINC001060538533 695852673 /nfs/dbraw/zinc/85/26/73/695852673.db2.gz WUIMIBJEXSDMIX-BZUAXINKSA-N 2 2 341.459 1.530 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCNc1cccc(C)[nH+]1 ZINC000915656973 695964416 /nfs/dbraw/zinc/96/44/16/695964416.db2.gz GJSMNGRZFUCAGN-ZDUSSCGKSA-N 2 2 330.436 1.942 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000993329050 695983037 /nfs/dbraw/zinc/98/30/37/695983037.db2.gz BUFQUAWIDZVVNE-GOEBONIOSA-N 2 2 334.464 1.377 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](C[C@H]2CCc3ccccc3C2)C1 ZINC001031259690 696066287 /nfs/dbraw/zinc/06/62/87/696066287.db2.gz ALCYRLRWWOWHRB-HNNXBMFYSA-N 2 2 338.455 1.568 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)n(C)n2)[C@@H]1C ZINC000993611737 696258288 /nfs/dbraw/zinc/25/82/88/696258288.db2.gz HQRZVHDANHBMEY-WBVHZDCISA-N 2 2 344.463 1.403 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)n(C)n2)[C@@H]1C ZINC000993611737 696258289 /nfs/dbraw/zinc/25/82/89/696258289.db2.gz HQRZVHDANHBMEY-WBVHZDCISA-N 2 2 344.463 1.403 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994153695 696546223 /nfs/dbraw/zinc/54/62/23/696546223.db2.gz AGZUPPVRIAKPSH-HOCLYGCPSA-N 2 2 343.431 1.496 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1C ZINC000994153695 696546225 /nfs/dbraw/zinc/54/62/25/696546225.db2.gz AGZUPPVRIAKPSH-HOCLYGCPSA-N 2 2 343.431 1.496 20 0 EDADLP COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000994153698 696546428 /nfs/dbraw/zinc/54/64/28/696546428.db2.gz AGZUPPVRIAKPSH-ZBFHGGJFSA-N 2 2 343.431 1.496 20 0 EDADLP COCC[N@H+]1CCC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1C ZINC000994153698 696546431 /nfs/dbraw/zinc/54/64/31/696546431.db2.gz AGZUPPVRIAKPSH-ZBFHGGJFSA-N 2 2 343.431 1.496 20 0 EDADLP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994250844 696643807 /nfs/dbraw/zinc/64/38/07/696643807.db2.gz JNXKVFPGMZNSDL-GJZGRUSLSA-N 2 2 332.448 1.548 20 0 EDADLP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994250844 696643808 /nfs/dbraw/zinc/64/38/08/696643808.db2.gz JNXKVFPGMZNSDL-GJZGRUSLSA-N 2 2 332.448 1.548 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)on1 ZINC000994257060 696664502 /nfs/dbraw/zinc/66/45/02/696664502.db2.gz SFSNADDFEOJGOX-DZGCQCFKSA-N 2 2 348.447 1.248 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)on1 ZINC000994257060 696664504 /nfs/dbraw/zinc/66/45/04/696664504.db2.gz SFSNADDFEOJGOX-DZGCQCFKSA-N 2 2 348.447 1.248 20 0 EDADLP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)ncn1 ZINC000994409175 696826931 /nfs/dbraw/zinc/82/69/31/696826931.db2.gz PUILLRPLIJOQHQ-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)ncn1 ZINC000994409175 696826933 /nfs/dbraw/zinc/82/69/33/696826933.db2.gz PUILLRPLIJOQHQ-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2ccn(C)n2)[C@@H]1C ZINC000994417812 696833478 /nfs/dbraw/zinc/83/34/78/696833478.db2.gz FWJYQPHIJRLHCZ-CJNGLKHVSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C)n2)[C@@H]1C ZINC000994417812 696833481 /nfs/dbraw/zinc/83/34/81/696833481.db2.gz FWJYQPHIJRLHCZ-CJNGLKHVSA-N 2 2 330.436 1.094 20 0 EDADLP COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994412490 696838447 /nfs/dbraw/zinc/83/84/47/696838447.db2.gz VSYMBVGHJIKPFD-NVXWUHKLSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994412490 696838449 /nfs/dbraw/zinc/83/84/49/696838449.db2.gz VSYMBVGHJIKPFD-NVXWUHKLSA-N 2 2 346.475 1.655 20 0 EDADLP C[N@@H+]1CCC[C@@H]1Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000917023565 696879217 /nfs/dbraw/zinc/87/92/17/696879217.db2.gz GXHXZTKSYIIEEM-SJORKVTESA-N 2 2 342.447 1.341 20 0 EDADLP C[N@H+]1CCC[C@@H]1Cn1nnc([C@@H]2C[NH+](Cc3ccccc3)CCO2)n1 ZINC000917023565 696879220 /nfs/dbraw/zinc/87/92/20/696879220.db2.gz GXHXZTKSYIIEEM-SJORKVTESA-N 2 2 342.447 1.341 20 0 EDADLP C[NH+]1CCC[C@@H]1Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000917023565 696879223 /nfs/dbraw/zinc/87/92/23/696879223.db2.gz GXHXZTKSYIIEEM-SJORKVTESA-N 2 2 342.447 1.341 20 0 EDADLP C[NH+]1CCC[C@@H]1Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000917023565 696879227 /nfs/dbraw/zinc/87/92/27/696879227.db2.gz GXHXZTKSYIIEEM-SJORKVTESA-N 2 2 342.447 1.341 20 0 EDADLP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1COc2ccccc2O1 ZINC000917047557 696883068 /nfs/dbraw/zinc/88/30/68/696883068.db2.gz NCVKWXGOMKQXCK-IAGOWNOFSA-N 2 2 334.460 1.995 20 0 EDADLP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1COc2ccccc2O1 ZINC000917047557 696883069 /nfs/dbraw/zinc/88/30/69/696883069.db2.gz NCVKWXGOMKQXCK-IAGOWNOFSA-N 2 2 334.460 1.995 20 0 EDADLP CO[C@H](Cc1ccccc1)C[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031391736 697019537 /nfs/dbraw/zinc/01/95/37/697019537.db2.gz MKNKGBMOKMXWOM-GOSISDBHSA-N 2 2 342.443 1.250 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+]([C@H]3CCCc4ccccc43)C2)C1 ZINC001031413987 697061365 /nfs/dbraw/zinc/06/13/65/697061365.db2.gz CSJAXIHODPSUFI-RBUKOAKNSA-N 2 2 343.471 1.585 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+]([C@H]3CCCc4ccccc43)C2)C1 ZINC001031413987 697061366 /nfs/dbraw/zinc/06/13/66/697061366.db2.gz CSJAXIHODPSUFI-RBUKOAKNSA-N 2 2 343.471 1.585 20 0 EDADLP COc1ccc(CC[NH+]2CC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001031431405 697092602 /nfs/dbraw/zinc/09/26/02/697092602.db2.gz BWJAHAJXFKNBJW-IYBDPMFKSA-N 2 2 345.487 1.911 20 0 EDADLP COc1ccc(CC[NH+]2CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001031431405 697092604 /nfs/dbraw/zinc/09/26/04/697092604.db2.gz BWJAHAJXFKNBJW-IYBDPMFKSA-N 2 2 345.487 1.911 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@]34C[C@H]3COC43CCC3)C2)CC1 ZINC000918907193 697222689 /nfs/dbraw/zinc/22/26/89/697222689.db2.gz WBGUQOCXTIIVIB-YZVOILCLSA-N 2 2 348.491 1.166 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@]34C[C@H]3COC43CCC3)C2)CC1 ZINC000918907193 697222690 /nfs/dbraw/zinc/22/26/90/697222690.db2.gz WBGUQOCXTIIVIB-YZVOILCLSA-N 2 2 348.491 1.166 20 0 EDADLP C[C@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2sccc2C1 ZINC000923599679 697406727 /nfs/dbraw/zinc/40/67/27/697406727.db2.gz YLWULIDCVFEEOY-TZMCWYRMSA-N 2 2 343.518 1.166 20 0 EDADLP C[C@H](CNS(=O)(=O)[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2sccc2C1 ZINC000923599679 697406730 /nfs/dbraw/zinc/40/67/30/697406730.db2.gz YLWULIDCVFEEOY-TZMCWYRMSA-N 2 2 343.518 1.166 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031665711 697446381 /nfs/dbraw/zinc/44/63/81/697446381.db2.gz FEZYKBKJMBFEPI-GOSISDBHSA-N 2 2 346.475 1.973 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001031665711 697446383 /nfs/dbraw/zinc/44/63/83/697446383.db2.gz FEZYKBKJMBFEPI-GOSISDBHSA-N 2 2 346.475 1.973 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031666571 697450009 /nfs/dbraw/zinc/45/00/09/697450009.db2.gz QJGIKTVQYKGYFJ-AWEZNQCLSA-N 2 2 337.493 1.267 20 0 EDADLP Cc1nnsc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031666571 697450010 /nfs/dbraw/zinc/45/00/10/697450010.db2.gz QJGIKTVQYKGYFJ-AWEZNQCLSA-N 2 2 337.493 1.267 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](C[C@@H]4CCCCO4)C3)ccn12 ZINC001031670177 697467172 /nfs/dbraw/zinc/46/71/72/697467172.db2.gz DNOPPDJRMAHUBX-KRWDZBQOSA-N 2 2 342.443 1.873 20 0 EDADLP C[NH+]1CCC(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000921143141 697522879 /nfs/dbraw/zinc/52/28/79/697522879.db2.gz JBIJZKZYOQMYGW-UHFFFAOYSA-N 2 2 329.473 1.931 20 0 EDADLP CC1([NH+]2CCCC2)CCC(NS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000921273368 697541878 /nfs/dbraw/zinc/54/18/78/697541878.db2.gz XTGWPQPPJMURHW-UHFFFAOYSA-N 2 2 340.493 1.600 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3sccc3C[NH+](C)C)C2)on1 ZINC001031706908 697694730 /nfs/dbraw/zinc/69/47/30/697694730.db2.gz KRZRHUDIMXGNBV-UHFFFAOYSA-N 2 2 348.472 1.968 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(OC)n2)C1 ZINC001031711417 697717394 /nfs/dbraw/zinc/71/73/94/697717394.db2.gz FQXOLESKSHSUFD-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(OC)n2)C1 ZINC001031711417 697717396 /nfs/dbraw/zinc/71/73/96/697717396.db2.gz FQXOLESKSHSUFD-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000940082872 700176804 /nfs/dbraw/zinc/17/68/04/700176804.db2.gz AFCYHEVQNINQIU-UHFFFAOYSA-N 2 2 331.420 1.810 20 0 EDADLP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001031730291 698067608 /nfs/dbraw/zinc/06/76/08/698067608.db2.gz JTQIUGLCOVABDH-MRXNPFEDSA-N 2 2 342.447 1.051 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@@H+](CCCO)C[C@H]3C)[nH+]c12 ZINC000943517550 698432242 /nfs/dbraw/zinc/43/22/42/698432242.db2.gz PNNHPTUHDHQQOI-WBVHZDCISA-N 2 2 344.459 1.394 20 0 EDADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@H+](CCCO)C[C@H]3C)[nH+]c12 ZINC000943517550 698432244 /nfs/dbraw/zinc/43/22/44/698432244.db2.gz PNNHPTUHDHQQOI-WBVHZDCISA-N 2 2 344.459 1.394 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767058 698820222 /nfs/dbraw/zinc/82/02/22/698820222.db2.gz QJTGUEYCYXXCAQ-WFASDCNBSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767058 698820229 /nfs/dbraw/zinc/82/02/29/698820229.db2.gz QJTGUEYCYXXCAQ-WFASDCNBSA-N 2 2 345.447 1.838 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001031767245 699070634 /nfs/dbraw/zinc/07/06/34/699070634.db2.gz UQXDVMKBSVSTSL-HOCLYGCPSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001031767245 699070638 /nfs/dbraw/zinc/07/06/38/699070638.db2.gz UQXDVMKBSVSTSL-HOCLYGCPSA-N 2 2 334.489 1.708 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995157763 701565034 /nfs/dbraw/zinc/56/50/34/701565034.db2.gz ZUIYFHXOWVEKLR-HOCLYGCPSA-N 2 2 327.432 1.730 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001031776611 699150795 /nfs/dbraw/zinc/15/07/95/699150795.db2.gz KWNIICLAOOCQRB-MRXNPFEDSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(F)c2F)C1 ZINC001031776611 699150797 /nfs/dbraw/zinc/15/07/97/699150797.db2.gz KWNIICLAOOCQRB-MRXNPFEDSA-N 2 2 337.414 1.997 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939215615 699387344 /nfs/dbraw/zinc/38/73/44/699387344.db2.gz PYWLWOIIOSOEEW-XHDPSFHLSA-N 2 2 334.370 1.867 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccon2)C1 ZINC000939235428 699403454 /nfs/dbraw/zinc/40/34/54/699403454.db2.gz KKOPGUCYEHIKME-UKRRQHHQSA-N 2 2 331.420 1.631 20 0 EDADLP Cc1conc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163623 701596368 /nfs/dbraw/zinc/59/63/68/701596368.db2.gz XKJVBMUISTYUAU-UONOGXRCSA-N 2 2 331.420 1.334 20 0 EDADLP CC(C)C[NH2+][C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000939465248 699598555 /nfs/dbraw/zinc/59/85/55/699598555.db2.gz YCZWOWFSNMJHMG-YOEHRIQHSA-N 2 2 327.432 1.973 20 0 EDADLP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939533723 699671793 /nfs/dbraw/zinc/67/17/93/699671793.db2.gz DTUGFQDOADFVCC-MEDUHNTESA-N 2 2 347.488 1.673 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)sc1C ZINC000939534105 699672365 /nfs/dbraw/zinc/67/23/65/699672365.db2.gz HRCRFJKLOBMVPO-ABAIWWIYSA-N 2 2 347.488 1.673 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)n1 ZINC000939535300 699676178 /nfs/dbraw/zinc/67/61/78/699676178.db2.gz PGBPMNUOLDCWCI-SMDDNHRTSA-N 2 2 333.461 1.364 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)ccn1 ZINC000939535004 699676226 /nfs/dbraw/zinc/67/62/26/699676226.db2.gz OAINGRUERREHEW-XJKSGUPXSA-N 2 2 343.431 1.003 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939535353 699676419 /nfs/dbraw/zinc/67/64/19/699676419.db2.gz QEEZVRZMDYOEKL-BLLLJJGKSA-N 2 2 348.397 1.878 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000939535356 699676593 /nfs/dbraw/zinc/67/65/93/699676593.db2.gz QEEZVRZMDYOEKL-WBMJQRKESA-N 2 2 348.397 1.878 20 0 EDADLP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000939540309 699680840 /nfs/dbraw/zinc/68/08/40/699680840.db2.gz GDJFWXOVEGMYKY-FZMZJTMJSA-N 2 2 331.420 1.620 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cnns1 ZINC000939542103 699683004 /nfs/dbraw/zinc/68/30/04/699683004.db2.gz SNDUSTHOSTZFAM-CMPLNLGQSA-N 2 2 334.449 1.176 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1cnns1 ZINC000939550144 699699211 /nfs/dbraw/zinc/69/92/11/699699211.db2.gz GTMZJHYRPNJSSG-SMDDNHRTSA-N 2 2 346.460 1.249 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000939624033 699761536 /nfs/dbraw/zinc/76/15/36/699761536.db2.gz WFBUIVZHODRIJH-DYVFJYSZSA-N 2 2 344.463 1.675 20 0 EDADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000939640918 699770400 /nfs/dbraw/zinc/77/04/00/699770400.db2.gz BJMUKSCJXDIRFG-YJBOKZPZSA-N 2 2 326.444 1.989 20 0 EDADLP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc(CC2CC2)no1 ZINC000939753514 699903143 /nfs/dbraw/zinc/90/31/43/699903143.db2.gz GEOMLYXPBJJNMF-DZGCQCFKSA-N 2 2 347.463 1.054 20 0 EDADLP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000939813047 699960665 /nfs/dbraw/zinc/96/06/65/699960665.db2.gz YAQJZDVEECRKHE-HIFRSBDPSA-N 2 2 337.493 1.351 20 0 EDADLP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000940182669 700340029 /nfs/dbraw/zinc/34/00/29/700340029.db2.gz LAHUYRHLBVLUGA-CQSZACIVSA-N 2 2 343.431 1.604 20 0 EDADLP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)s1 ZINC000940243517 700404756 /nfs/dbraw/zinc/40/47/56/700404756.db2.gz TZACUYHIBHHPDG-UHFFFAOYSA-N 2 2 348.476 1.604 20 0 EDADLP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031967968 701655988 /nfs/dbraw/zinc/65/59/88/701655988.db2.gz KEPQOJWVPJHKJJ-GDBMZVCRSA-N 2 2 346.475 1.694 20 0 EDADLP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968184 701663645 /nfs/dbraw/zinc/66/36/45/701663645.db2.gz QELOCJHQOTXZJE-MRXNPFEDSA-N 2 2 346.475 1.694 20 0 EDADLP C[C@@H](F)CC[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001032123231 701672199 /nfs/dbraw/zinc/67/21/99/701672199.db2.gz USNBPHYNIYVSTM-CYBMUJFWSA-N 2 2 331.395 1.677 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)C2 ZINC000940846567 700941478 /nfs/dbraw/zinc/94/14/78/700941478.db2.gz BVTVXVXTABRHFW-PBHICJAKSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)C2 ZINC000940846567 700941479 /nfs/dbraw/zinc/94/14/79/700941479.db2.gz BVTVXVXTABRHFW-PBHICJAKSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)CC2 ZINC000940846567 700941480 /nfs/dbraw/zinc/94/14/80/700941480.db2.gz BVTVXVXTABRHFW-PBHICJAKSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)CC2 ZINC000940846567 700941481 /nfs/dbraw/zinc/94/14/81/700941481.db2.gz BVTVXVXTABRHFW-PBHICJAKSA-N 2 2 348.491 1.422 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000940847138 700941982 /nfs/dbraw/zinc/94/19/82/700941982.db2.gz PPNYSQVPYQZJOM-GOEBONIOSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000940847138 700941983 /nfs/dbraw/zinc/94/19/83/700941983.db2.gz PPNYSQVPYQZJOM-GOEBONIOSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@H+](CCF)CC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000940893085 700968346 /nfs/dbraw/zinc/96/83/46/700968346.db2.gz NGLLREJDAFSZLC-MRXNPFEDSA-N 2 2 336.455 1.948 20 0 EDADLP CC1(C)C[N@@H+](CCF)CC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000940893085 700968348 /nfs/dbraw/zinc/96/83/48/700968348.db2.gz NGLLREJDAFSZLC-MRXNPFEDSA-N 2 2 336.455 1.948 20 0 EDADLP CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000940923070 700998630 /nfs/dbraw/zinc/99/86/30/700998630.db2.gz XRSWAVMZIJNCNI-KRWDZBQOSA-N 2 2 342.443 1.695 20 0 EDADLP CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000940923070 700998631 /nfs/dbraw/zinc/99/86/31/700998631.db2.gz XRSWAVMZIJNCNI-KRWDZBQOSA-N 2 2 342.443 1.695 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)o1 ZINC000941002711 701036585 /nfs/dbraw/zinc/03/65/85/701036585.db2.gz LEFPUIQPVKIARY-HNNXBMFYSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)o1 ZINC000941002711 701036586 /nfs/dbraw/zinc/03/65/86/701036586.db2.gz LEFPUIQPVKIARY-HNNXBMFYSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCF)CC1(C)C)CC2 ZINC000940988080 701041848 /nfs/dbraw/zinc/04/18/48/701041848.db2.gz QWWDDGOPTSHWLF-GOEBONIOSA-N 2 2 336.455 1.940 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCF)CC1(C)C)CC2 ZINC000940988080 701041850 /nfs/dbraw/zinc/04/18/50/701041850.db2.gz QWWDDGOPTSHWLF-GOEBONIOSA-N 2 2 336.455 1.940 20 0 EDADLP C[C@@H]1C[N@H+](CCCC2CCOCC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808030 701199117 /nfs/dbraw/zinc/19/91/17/701199117.db2.gz NECVNBRXRAQZAI-AEFFLSMTSA-N 2 2 348.491 1.917 20 0 EDADLP C[C@@H]1C[N@@H+](CCCC2CCOCC2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945808030 701199118 /nfs/dbraw/zinc/19/91/18/701199118.db2.gz NECVNBRXRAQZAI-AEFFLSMTSA-N 2 2 348.491 1.917 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945808073 701199286 /nfs/dbraw/zinc/19/92/86/701199286.db2.gz NLVDVEWMGJIBAV-ZFWWWQNUSA-N 2 2 347.488 1.717 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945808073 701199287 /nfs/dbraw/zinc/19/92/87/701199287.db2.gz NLVDVEWMGJIBAV-ZFWWWQNUSA-N 2 2 347.488 1.717 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)on1 ZINC001031932338 701374704 /nfs/dbraw/zinc/37/47/04/701374704.db2.gz LGNMFOXELZDIPF-UHFFFAOYSA-N 2 2 332.404 1.499 20 0 EDADLP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)C2)cn1 ZINC000941167679 701378729 /nfs/dbraw/zinc/37/87/29/701378729.db2.gz YKDITELVDXEDFG-INIZCTEOSA-N 2 2 344.463 1.113 20 0 EDADLP Cn1cc(C[N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)C2)cn1 ZINC000941167679 701378730 /nfs/dbraw/zinc/37/87/30/701378730.db2.gz YKDITELVDXEDFG-INIZCTEOSA-N 2 2 344.463 1.113 20 0 EDADLP CCOC1CC(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1 ZINC000941248352 701424821 /nfs/dbraw/zinc/42/48/21/701424821.db2.gz WZXABLOWLLURJY-OFLPRAFFSA-N 2 2 348.491 1.915 20 0 EDADLP CCOC1CC(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1 ZINC000941248352 701424822 /nfs/dbraw/zinc/42/48/22/701424822.db2.gz WZXABLOWLLURJY-OFLPRAFFSA-N 2 2 348.491 1.915 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248334 701424840 /nfs/dbraw/zinc/42/48/40/701424840.db2.gz WUPWVYQYPMHUTN-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248334 701424841 /nfs/dbraw/zinc/42/48/41/701424841.db2.gz WUPWVYQYPMHUTN-HNNXBMFYSA-N 2 2 331.420 1.596 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3nc4ccccc4o3)C2)CC1 ZINC001031947921 701510208 /nfs/dbraw/zinc/51/02/08/701510208.db2.gz NUGZHBKGRPXYJJ-UHFFFAOYSA-N 2 2 342.443 1.718 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)C1 ZINC000941455868 701542846 /nfs/dbraw/zinc/54/28/46/701542846.db2.gz ISNOMVWDJMJLTO-UHFFFAOYSA-N 2 2 341.459 1.805 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943950064 701707522 /nfs/dbraw/zinc/70/75/22/701707522.db2.gz NTUTYSUMVIPNRI-GDBMZVCRSA-N 2 2 343.431 1.354 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC000943950064 701707526 /nfs/dbraw/zinc/70/75/26/701707526.db2.gz NTUTYSUMVIPNRI-GDBMZVCRSA-N 2 2 343.431 1.354 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995175714 701804034 /nfs/dbraw/zinc/80/40/34/701804034.db2.gz AEQUWQZARDUNIT-LSDHHAIUSA-N 2 2 344.463 1.552 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](Cc3cncc(F)c3)C2)C1 ZINC001032128945 701803920 /nfs/dbraw/zinc/80/39/20/701803920.db2.gz MLJYMPGRLYKCQY-SJLPKXTDSA-N 2 2 348.466 1.889 20 0 EDADLP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995744370 701953470 /nfs/dbraw/zinc/95/34/70/701953470.db2.gz GLLZZGGRTSNNDI-OAHLLOKOSA-N 2 2 342.447 1.468 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccns2)C1 ZINC000995180754 701997390 /nfs/dbraw/zinc/99/73/90/701997390.db2.gz FYYITBUUGHIRGY-STQMWFEESA-N 2 2 333.461 1.792 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)sc1C ZINC001031977409 702020070 /nfs/dbraw/zinc/02/00/70/702020070.db2.gz ZJFAVQIMKUNHCP-ABAIWWIYSA-N 2 2 336.505 1.506 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)sc1C ZINC001031977409 702020077 /nfs/dbraw/zinc/02/00/77/702020077.db2.gz ZJFAVQIMKUNHCP-ABAIWWIYSA-N 2 2 336.505 1.506 20 0 EDADLP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032205595 702072202 /nfs/dbraw/zinc/07/22/02/702072202.db2.gz CMEIJEDVEIKBOJ-KRWDZBQOSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001032205595 702072209 /nfs/dbraw/zinc/07/22/09/702072209.db2.gz CMEIJEDVEIKBOJ-KRWDZBQOSA-N 2 2 334.464 1.659 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2(C)C)n1 ZINC000995820036 702137166 /nfs/dbraw/zinc/13/71/66/702137166.db2.gz FVWBEVBATYIVAQ-LSDHHAIUSA-N 2 2 347.463 1.046 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)n1 ZINC000995895687 702199473 /nfs/dbraw/zinc/19/94/73/702199473.db2.gz MDEYFUNBUFBACI-UKRRQHHQSA-N 2 2 335.452 1.045 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)n1 ZINC000995889586 702230233 /nfs/dbraw/zinc/23/02/33/702230233.db2.gz WXXMAIVKYXYJBG-CYBMUJFWSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)CC2(C)C)o1 ZINC000995945285 702291675 /nfs/dbraw/zinc/29/16/75/702291675.db2.gz FKKNPUYCBPMJOJ-OLZOCXBDSA-N 2 2 337.468 1.299 20 0 EDADLP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000995993570 702371778 /nfs/dbraw/zinc/37/17/78/702371778.db2.gz BPTGBVVIRVIACU-AWEZNQCLSA-N 2 2 349.504 1.493 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCC(F)(F)F)C1 ZINC001031987008 702411278 /nfs/dbraw/zinc/41/12/78/702411278.db2.gz PIESDIAIOFWAJZ-VXGBXAGGSA-N 2 2 330.354 1.524 20 0 EDADLP Cc1ncccc1C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001031987351 702415711 /nfs/dbraw/zinc/41/57/11/702415711.db2.gz JQLQSRKULHEKGN-IAGOWNOFSA-N 2 2 339.443 1.475 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2nc(C)c(C)o2)C(C)(C)C1 ZINC000996044079 702437070 /nfs/dbraw/zinc/43/70/70/702437070.db2.gz RNWDHUBSJRPKRR-HNNXBMFYSA-N 2 2 345.447 1.823 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC2(C)C)s1 ZINC000996040417 702455595 /nfs/dbraw/zinc/45/55/95/702455595.db2.gz AEELJSUXQOLGFX-AWEZNQCLSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC2(C)C)o1 ZINC000996080972 702487282 /nfs/dbraw/zinc/48/72/82/702487282.db2.gz DVAJOJCDKJXBNK-OAHLLOKOSA-N 2 2 345.447 1.676 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996094787 702508912 /nfs/dbraw/zinc/50/89/12/702508912.db2.gz ZHXCCIGBOBMKOY-DLBZAZTESA-N 2 2 337.508 1.722 20 0 EDADLP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996094787 702508919 /nfs/dbraw/zinc/50/89/19/702508919.db2.gz ZHXCCIGBOBMKOY-DLBZAZTESA-N 2 2 337.508 1.722 20 0 EDADLP CCc1noc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)n1 ZINC000995205853 702645202 /nfs/dbraw/zinc/64/52/02/702645202.db2.gz CPJJLMRVZVQQLR-UONOGXRCSA-N 2 2 346.435 1.212 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996299711 702690631 /nfs/dbraw/zinc/69/06/31/702690631.db2.gz CSCNUBVAIOSCLZ-ZBFHGGJFSA-N 2 2 348.491 1.905 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996299711 702690632 /nfs/dbraw/zinc/69/06/32/702690632.db2.gz CSCNUBVAIOSCLZ-ZBFHGGJFSA-N 2 2 348.491 1.905 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000996355970 702733324 /nfs/dbraw/zinc/73/33/24/702733324.db2.gz PDHQJMQIYQSPRO-INIZCTEOSA-N 2 2 334.464 1.596 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000996526796 702843210 /nfs/dbraw/zinc/84/32/10/702843210.db2.gz UCNJUHRZNJDJKX-MRXNPFEDSA-N 2 2 343.431 1.776 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996519746 702855772 /nfs/dbraw/zinc/85/57/72/702855772.db2.gz QMZVVWJDMRXXQJ-UONOGXRCSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996519746 702855775 /nfs/dbraw/zinc/85/57/75/702855775.db2.gz QMZVVWJDMRXXQJ-UONOGXRCSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1 ZINC000996565015 702886136 /nfs/dbraw/zinc/88/61/36/702886136.db2.gz WHJSUTYQYWRWBP-GDBMZVCRSA-N 2 2 334.464 1.514 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996565557 702886888 /nfs/dbraw/zinc/88/68/88/702886888.db2.gz ZINYBVVAVGTBBJ-ZDUSSCGKSA-N 2 2 334.449 1.139 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nc(C4CC4)no3)C(C)(C)C2)C1 ZINC000996608192 702911613 /nfs/dbraw/zinc/91/16/13/702911613.db2.gz GQUPRNHBZSZGQA-UONOGXRCSA-N 2 2 347.463 1.225 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nc(C4CC4)no3)C(C)(C)C2)C1 ZINC000996608192 702911614 /nfs/dbraw/zinc/91/16/14/702911614.db2.gz GQUPRNHBZSZGQA-UONOGXRCSA-N 2 2 347.463 1.225 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000995243315 702922951 /nfs/dbraw/zinc/92/29/51/702922951.db2.gz IEEWSYQNBNIPDI-MSOLQXFVSA-N 2 2 342.443 1.450 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)oc1C ZINC000995243763 702931707 /nfs/dbraw/zinc/93/17/07/702931707.db2.gz SNFUBOIIPYZZJO-GJZGRUSLSA-N 2 2 331.420 1.563 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]Cc2nc(C3CC3)no2)C1 ZINC000995250409 702964915 /nfs/dbraw/zinc/96/49/15/702964915.db2.gz OFYDFDSGOQBCAT-GXTWGEPZSA-N 2 2 344.419 1.218 20 0 EDADLP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000996686159 702974554 /nfs/dbraw/zinc/97/45/54/702974554.db2.gz UIHVXUCGMAQFII-HUUCEWRRSA-N 2 2 343.431 1.899 20 0 EDADLP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000996686159 702974555 /nfs/dbraw/zinc/97/45/55/702974555.db2.gz UIHVXUCGMAQFII-HUUCEWRRSA-N 2 2 343.431 1.899 20 0 EDADLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)cc1C ZINC001032315611 702977978 /nfs/dbraw/zinc/97/79/78/702977978.db2.gz RIZHLDSSYREMBF-OKZBNKHCSA-N 2 2 343.471 1.883 20 0 EDADLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[NH+]2C)cc1C ZINC001032315611 702977980 /nfs/dbraw/zinc/97/79/80/702977980.db2.gz RIZHLDSSYREMBF-OKZBNKHCSA-N 2 2 343.471 1.883 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001032315611 702977982 /nfs/dbraw/zinc/97/79/82/702977982.db2.gz RIZHLDSSYREMBF-OKZBNKHCSA-N 2 2 343.471 1.883 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001032315611 702977987 /nfs/dbraw/zinc/97/79/87/702977987.db2.gz RIZHLDSSYREMBF-OKZBNKHCSA-N 2 2 343.471 1.883 20 0 EDADLP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000996695856 702992334 /nfs/dbraw/zinc/99/23/34/702992334.db2.gz HSUFIWIRXFRBPO-IAGOWNOFSA-N 2 2 339.443 1.997 20 0 EDADLP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000996695856 702992335 /nfs/dbraw/zinc/99/23/35/702992335.db2.gz HSUFIWIRXFRBPO-IAGOWNOFSA-N 2 2 339.443 1.997 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995256223 703004509 /nfs/dbraw/zinc/00/45/09/703004509.db2.gz YWWKZMHVAJHFCD-WBVHZDCISA-N 2 2 327.432 1.661 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996713419 703008432 /nfs/dbraw/zinc/00/84/32/703008432.db2.gz IVZXGBPIVDIYIH-OAHLLOKOSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)C[C@H]1C ZINC000942518437 703018529 /nfs/dbraw/zinc/01/85/29/703018529.db2.gz RPIUEGSFADCXQB-IUODEOHRSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cscn2)C[C@H]1C ZINC000942518437 703018532 /nfs/dbraw/zinc/01/85/32/703018532.db2.gz RPIUEGSFADCXQB-IUODEOHRSA-N 2 2 333.461 1.675 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2csnn2)CC1 ZINC000996734313 703030446 /nfs/dbraw/zinc/03/04/46/703030446.db2.gz XBRIZHLJXMAEAL-GFCCVEGCSA-N 2 2 346.460 1.078 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCOCC2)cc1 ZINC001032684949 706716327 /nfs/dbraw/zinc/71/63/27/706716327.db2.gz ZUMWEORKGBANPZ-OALUTQOASA-N 2 2 343.471 1.502 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCOCC2)cc1 ZINC001032684949 706716331 /nfs/dbraw/zinc/71/63/31/706716331.db2.gz ZUMWEORKGBANPZ-OALUTQOASA-N 2 2 343.471 1.502 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598456 703113833 /nfs/dbraw/zinc/11/38/33/703113833.db2.gz XRJIOHBHMGCJSK-ZBFHGGJFSA-N 2 2 331.464 1.145 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ncccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598456 703113834 /nfs/dbraw/zinc/11/38/34/703113834.db2.gz XRJIOHBHMGCJSK-ZBFHGGJFSA-N 2 2 331.464 1.145 20 0 EDADLP CCOC1CC(C[NH2+]C2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC000996833329 703115878 /nfs/dbraw/zinc/11/58/78/703115878.db2.gz HMDWFTUCBLAQHS-UHFFFAOYSA-N 2 2 348.491 1.748 20 0 EDADLP C[C@H]([NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1)c1cnccn1 ZINC000996829149 703118588 /nfs/dbraw/zinc/11/85/88/703118588.db2.gz BNGMKTGWXOJMOY-AWEZNQCLSA-N 2 2 342.447 1.485 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000996835195 703122692 /nfs/dbraw/zinc/12/26/92/703122692.db2.gz QHWBMDCAMHTKKW-BEFAXECRSA-N 2 2 346.475 1.360 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)sn1 ZINC000996858405 703142741 /nfs/dbraw/zinc/14/27/41/703142741.db2.gz HUXBGOLTGUZQHT-UHFFFAOYSA-N 2 2 349.460 1.519 20 0 EDADLP COc1ccc(C[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000996859536 703143403 /nfs/dbraw/zinc/14/34/03/703143403.db2.gz NENTVJPBEQKKEL-UHFFFAOYSA-N 2 2 343.431 1.458 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042958 703210700 /nfs/dbraw/zinc/21/07/00/703210700.db2.gz PSUQHSVKDUXVNH-WMZOPIPTSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042958 703210701 /nfs/dbraw/zinc/21/07/01/703210701.db2.gz PSUQHSVKDUXVNH-WMZOPIPTSA-N 2 2 343.475 1.350 20 0 EDADLP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000996993318 703249821 /nfs/dbraw/zinc/24/98/21/703249821.db2.gz DMSWVPVNDDWGCM-HNNXBMFYSA-N 2 2 342.447 1.344 20 0 EDADLP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)o1 ZINC000996994496 703251064 /nfs/dbraw/zinc/25/10/64/703251064.db2.gz HVZIOXPQKPFSMD-CQSZACIVSA-N 2 2 343.431 1.907 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000997027089 703278720 /nfs/dbraw/zinc/27/87/20/703278720.db2.gz MKWBQHZMDLOXFY-FVQBIDKESA-N 2 2 332.448 1.141 20 0 EDADLP Cc1ncccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)CC1 ZINC001032699446 706735820 /nfs/dbraw/zinc/73/58/20/706735820.db2.gz RIPVROOCOAWJAG-OALUTQOASA-N 2 2 342.487 1.907 20 0 EDADLP Cc1ncccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)CC1 ZINC001032699446 706735821 /nfs/dbraw/zinc/73/58/21/706735821.db2.gz RIPVROOCOAWJAG-OALUTQOASA-N 2 2 342.487 1.907 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)no1 ZINC000997115606 703369543 /nfs/dbraw/zinc/36/95/43/703369543.db2.gz OMNKXYKSWLPKQB-UHFFFAOYSA-N 2 2 349.479 1.445 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001032411434 703445136 /nfs/dbraw/zinc/44/51/36/703445136.db2.gz ORMNYGATCLFYPG-LAVFITLUSA-N 2 2 328.460 1.515 20 0 EDADLP Cc1cncc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001032411434 703445139 /nfs/dbraw/zinc/44/51/39/703445139.db2.gz ORMNYGATCLFYPG-LAVFITLUSA-N 2 2 328.460 1.515 20 0 EDADLP Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001032411434 703445140 /nfs/dbraw/zinc/44/51/40/703445140.db2.gz ORMNYGATCLFYPG-LAVFITLUSA-N 2 2 328.460 1.515 20 0 EDADLP Cc1cncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001032411434 703445143 /nfs/dbraw/zinc/44/51/43/703445143.db2.gz ORMNYGATCLFYPG-LAVFITLUSA-N 2 2 328.460 1.515 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+][C@H](C)c2cnc(C)cn2)CC1 ZINC000997221513 703499624 /nfs/dbraw/zinc/49/96/24/703499624.db2.gz LCYGEZSJZRIOPH-CQSZACIVSA-N 2 2 342.447 1.701 20 0 EDADLP C[C@@H]([NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1)c1csnn1 ZINC000997237984 703524805 /nfs/dbraw/zinc/52/48/05/703524805.db2.gz SHQIOTSABLYOMG-GFCCVEGCSA-N 2 2 348.476 1.546 20 0 EDADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2)CC1 ZINC000921563603 703603003 /nfs/dbraw/zinc/60/30/03/703603003.db2.gz MRHQUOLRHCVTPH-UHFFFAOYSA-N 2 2 345.466 1.890 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1)c1cccnc1 ZINC000997368745 703609032 /nfs/dbraw/zinc/60/90/32/703609032.db2.gz KWOLPJCWEFHKNH-MAUKXSAKSA-N 2 2 346.475 1.301 20 0 EDADLP CCc1noc([C@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000997416133 703669022 /nfs/dbraw/zinc/66/90/22/703669022.db2.gz GZVRFQPTGLFIEG-LBPRGKRZSA-N 2 2 332.408 1.170 20 0 EDADLP Cc1cnc(C[NH+]2CCC(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC001004203561 703938724 /nfs/dbraw/zinc/93/87/24/703938724.db2.gz KWQHVJSOUOBOIJ-KBPBESRZSA-N 2 2 334.464 1.936 20 0 EDADLP COCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997650572 703961970 /nfs/dbraw/zinc/96/19/70/703961970.db2.gz ZMXYKJOGYFDWGK-HOCLYGCPSA-N 2 2 334.464 1.309 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](c3ccccn3)C3CC3)cn2)CC1 ZINC000922587158 704084597 /nfs/dbraw/zinc/08/45/97/704084597.db2.gz XIOWEOFIVZJLAG-SFHVURJKSA-N 2 2 338.459 1.864 20 0 EDADLP Cc1ncsc1CC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004259129 704087915 /nfs/dbraw/zinc/08/79/15/704087915.db2.gz VFOMMKHHFSKAST-UHFFFAOYSA-N 2 2 333.461 1.471 20 0 EDADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033081747 704137367 /nfs/dbraw/zinc/13/73/67/704137367.db2.gz NTSVNDFXJHHJMG-ROUUACIJSA-N 2 2 346.450 1.595 20 0 EDADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033081747 704137370 /nfs/dbraw/zinc/13/73/70/704137370.db2.gz NTSVNDFXJHHJMG-ROUUACIJSA-N 2 2 346.450 1.595 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)nc(C)[nH+]1 ZINC001061480130 704271782 /nfs/dbraw/zinc/27/17/82/704271782.db2.gz KYCWEJAAVKRVTI-HZPDHXFCSA-N 2 2 331.464 1.663 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)nc(C)[nH+]1 ZINC001061480130 704271787 /nfs/dbraw/zinc/27/17/87/704271787.db2.gz KYCWEJAAVKRVTI-HZPDHXFCSA-N 2 2 331.464 1.663 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004456355 704449707 /nfs/dbraw/zinc/44/97/07/704449707.db2.gz HPOINBUNPROFLC-QGZVFWFLSA-N 2 2 334.464 1.428 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004456355 704449708 /nfs/dbraw/zinc/44/97/08/704449708.db2.gz HPOINBUNPROFLC-QGZVFWFLSA-N 2 2 334.464 1.428 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004456355 704449709 /nfs/dbraw/zinc/44/97/09/704449709.db2.gz HPOINBUNPROFLC-QGZVFWFLSA-N 2 2 334.464 1.428 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004456355 704449710 /nfs/dbraw/zinc/44/97/10/704449710.db2.gz HPOINBUNPROFLC-QGZVFWFLSA-N 2 2 334.464 1.428 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000997815478 704735892 /nfs/dbraw/zinc/73/58/92/704735892.db2.gz BRIBWAHZFDSLSR-QGZVFWFLSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000997815478 704735893 /nfs/dbraw/zinc/73/58/93/704735893.db2.gz BRIBWAHZFDSLSR-QGZVFWFLSA-N 2 2 348.491 1.986 20 0 EDADLP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)o1 ZINC000997816188 704737187 /nfs/dbraw/zinc/73/71/87/704737187.db2.gz IQFJEBFTRORENS-UHFFFAOYSA-N 2 2 345.447 1.976 20 0 EDADLP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)o1 ZINC000997816188 704737190 /nfs/dbraw/zinc/73/71/90/704737190.db2.gz IQFJEBFTRORENS-UHFFFAOYSA-N 2 2 345.447 1.976 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000997817554 704739114 /nfs/dbraw/zinc/73/91/14/704739114.db2.gz PNASRCAFVGHIIY-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP Cc1ncoc1C[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000997817554 704739116 /nfs/dbraw/zinc/73/91/16/704739116.db2.gz PNASRCAFVGHIIY-UHFFFAOYSA-N 2 2 331.420 1.667 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997871908 704777827 /nfs/dbraw/zinc/77/78/27/704777827.db2.gz JXDHLKKRKSZQTN-IAGOWNOFSA-N 2 2 346.475 1.310 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2nccs2)C[C@H]1C ZINC000944965142 704834326 /nfs/dbraw/zinc/83/43/26/704834326.db2.gz RCWHZYOPVPVPDN-OCCSQVGLSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2nccs2)C[C@H]1C ZINC000944965142 704834332 /nfs/dbraw/zinc/83/43/32/704834332.db2.gz RCWHZYOPVPVPDN-OCCSQVGLSA-N 2 2 333.461 1.675 20 0 EDADLP CCc1cnc(C[NH2+]CC2CCN(C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC000997916440 704982360 /nfs/dbraw/zinc/98/23/60/704982360.db2.gz UIRLDRBCKJDHGP-UHFFFAOYSA-N 2 2 345.447 1.770 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000997951605 705070402 /nfs/dbraw/zinc/07/04/02/705070402.db2.gz HVHJFYIJDVYSPU-UHFFFAOYSA-N 2 2 345.422 1.836 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000997950851 705078004 /nfs/dbraw/zinc/07/80/04/705078004.db2.gz BZNASTCKZDBGRM-UHFFFAOYSA-N 2 2 334.449 1.153 20 0 EDADLP CCCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997976854 705120846 /nfs/dbraw/zinc/12/08/46/705120846.db2.gz OGSZGQARWUMINA-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997976854 705120849 /nfs/dbraw/zinc/12/08/49/705120849.db2.gz OGSZGQARWUMINA-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997976854 705120852 /nfs/dbraw/zinc/12/08/52/705120852.db2.gz OGSZGQARWUMINA-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP CCCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997976854 705120855 /nfs/dbraw/zinc/12/08/55/705120855.db2.gz OGSZGQARWUMINA-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998115160 705365961 /nfs/dbraw/zinc/36/59/61/705365961.db2.gz MUIDAMBXACNABY-UHFFFAOYSA-N 2 2 331.395 1.515 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000998180967 705480547 /nfs/dbraw/zinc/48/05/47/705480547.db2.gz CXAWTLQYPYRHGJ-UHFFFAOYSA-N 2 2 342.447 1.123 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000998222807 705549280 /nfs/dbraw/zinc/54/92/80/705549280.db2.gz NKMSPQBRAJULPV-MRXNPFEDSA-N 2 2 334.464 1.217 20 0 EDADLP Cc1nnsc1C[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000998243709 705583313 /nfs/dbraw/zinc/58/33/13/705583313.db2.gz GXQIHDGEICLMES-UHFFFAOYSA-N 2 2 348.476 1.449 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC000998312952 705728393 /nfs/dbraw/zinc/72/83/93/705728393.db2.gz LMEOQSHQCUTRBN-VXGBXAGGSA-N 2 2 330.354 1.731 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2noc(CC)n2)C1 ZINC000998867289 706296910 /nfs/dbraw/zinc/29/69/10/706296910.db2.gz PTFHZGQFCIYDGP-YMAMQOFZSA-N 2 2 349.479 1.585 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2noc(CC)n2)C1 ZINC000998867289 706296913 /nfs/dbraw/zinc/29/69/13/706296913.db2.gz PTFHZGQFCIYDGP-YMAMQOFZSA-N 2 2 349.479 1.585 20 0 EDADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999110747 706537636 /nfs/dbraw/zinc/53/76/36/706537636.db2.gz LQAUJMOMZOSKCY-FHERZECASA-N 2 2 342.443 1.954 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999348746 706860512 /nfs/dbraw/zinc/86/05/12/706860512.db2.gz PGFLKXLCMFHETR-CQSZACIVSA-N 2 2 349.479 1.587 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3cncs3)C2)no1 ZINC000999563640 707060087 /nfs/dbraw/zinc/06/00/87/707060087.db2.gz UQBRUVKVSUAFHQ-GFCCVEGCSA-N 2 2 349.460 1.587 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3nccs3)C2)no1 ZINC000999563540 707060134 /nfs/dbraw/zinc/06/01/34/707060134.db2.gz TWAADFCGFCCIQW-GFCCVEGCSA-N 2 2 349.460 1.587 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000999606545 707119952 /nfs/dbraw/zinc/11/99/52/707119952.db2.gz WXOCUXZKOSOCEY-UHFFFAOYSA-N 2 2 340.427 1.762 20 0 EDADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946776732 707211391 /nfs/dbraw/zinc/21/13/91/707211391.db2.gz SBPFJFYEZKRWHG-JONQDZQNSA-N 2 2 346.475 1.381 20 0 EDADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC[C@@H]2C1 ZINC000946776732 707211392 /nfs/dbraw/zinc/21/13/92/707211392.db2.gz SBPFJFYEZKRWHG-JONQDZQNSA-N 2 2 346.475 1.381 20 0 EDADLP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000999696422 707221044 /nfs/dbraw/zinc/22/10/44/707221044.db2.gz ARLJOBWEGXJXRS-UHFFFAOYSA-N 2 2 331.420 1.763 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999700837 707230760 /nfs/dbraw/zinc/23/07/60/707230760.db2.gz ZNIRCCCXSYSDJG-NFOMZHRRSA-N 2 2 334.464 1.693 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]CC[C@H]2CCCCO2)C1 ZINC000999686910 707239604 /nfs/dbraw/zinc/23/96/04/707239604.db2.gz BEAWVASAFDTKSM-VMBOVVBDSA-N 2 2 334.464 1.501 20 0 EDADLP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000999791917 707363130 /nfs/dbraw/zinc/36/31/30/707363130.db2.gz LHHLMDQGSVWOPF-ZBFHGGJFSA-N 2 2 349.504 1.493 20 0 EDADLP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033186026 707376497 /nfs/dbraw/zinc/37/64/97/707376497.db2.gz ROIZMAAAOXJYOI-JFIYKMOQSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033186026 707376503 /nfs/dbraw/zinc/37/65/03/707376503.db2.gz ROIZMAAAOXJYOI-JFIYKMOQSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186026 707376508 /nfs/dbraw/zinc/37/65/08/707376508.db2.gz ROIZMAAAOXJYOI-JFIYKMOQSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033186026 707376512 /nfs/dbraw/zinc/37/65/12/707376512.db2.gz ROIZMAAAOXJYOI-JFIYKMOQSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1nc(N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)c(C)c(C)[nH+]1 ZINC001061629906 707390294 /nfs/dbraw/zinc/39/02/94/707390294.db2.gz FJHHJURQYDJWBV-INIZCTEOSA-N 2 2 343.475 1.440 20 0 EDADLP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999789271 707406770 /nfs/dbraw/zinc/40/67/70/707406770.db2.gz GKMDDTQHPBKODE-GDBMZVCRSA-N 2 2 349.504 1.493 20 0 EDADLP CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033296830 707408083 /nfs/dbraw/zinc/40/80/83/707408083.db2.gz BADZNVFMSQAJHA-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001033296830 707408084 /nfs/dbraw/zinc/40/80/84/707408084.db2.gz BADZNVFMSQAJHA-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001033296830 707408086 /nfs/dbraw/zinc/40/80/86/707408086.db2.gz BADZNVFMSQAJHA-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001033296830 707408088 /nfs/dbraw/zinc/40/80/88/707408088.db2.gz BADZNVFMSQAJHA-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999839305 707411688 /nfs/dbraw/zinc/41/16/88/707411688.db2.gz ZJCUCUSEHGRNBZ-ZWKOTPCHSA-N 2 2 348.491 1.795 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999840300 707413344 /nfs/dbraw/zinc/41/33/44/707413344.db2.gz CVSZUQJFBRJMQA-OAHLLOKOSA-N 2 2 343.431 1.919 20 0 EDADLP CCn1nnc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197581 707416735 /nfs/dbraw/zinc/41/67/35/707416735.db2.gz IOSXFSCVMOVUTK-HOTGVXAUSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nnc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033197581 707416739 /nfs/dbraw/zinc/41/67/39/707416739.db2.gz IOSXFSCVMOVUTK-HOTGVXAUSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001033197581 707416742 /nfs/dbraw/zinc/41/67/42/707416742.db2.gz IOSXFSCVMOVUTK-HOTGVXAUSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001033197581 707416745 /nfs/dbraw/zinc/41/67/45/707416745.db2.gz IOSXFSCVMOVUTK-HOTGVXAUSA-N 2 2 348.495 1.123 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC001033294813 707420058 /nfs/dbraw/zinc/42/00/58/707420058.db2.gz GCEXWKLTCFVVOX-FUHWJXTLSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC001033294813 707420064 /nfs/dbraw/zinc/42/00/64/707420064.db2.gz GCEXWKLTCFVVOX-FUHWJXTLSA-N 2 2 346.475 1.890 20 0 EDADLP Cc1nc(C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)CC[C@@H]3C2)co1 ZINC000946800567 707452019 /nfs/dbraw/zinc/45/20/19/707452019.db2.gz FFENZCOXAWNTNF-GASCZTMLSA-N 2 2 343.431 1.619 20 0 EDADLP Cc1nc(C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)CC[C@@H]3C2)co1 ZINC000946800567 707452022 /nfs/dbraw/zinc/45/20/22/707452022.db2.gz FFENZCOXAWNTNF-GASCZTMLSA-N 2 2 343.431 1.619 20 0 EDADLP Cc1cnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cn1 ZINC000999837116 707473718 /nfs/dbraw/zinc/47/37/18/707473718.db2.gz PPQMSQVEHZJDGM-JKSUJKDBSA-N 2 2 342.447 1.713 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC000999914641 707556595 /nfs/dbraw/zinc/55/65/95/707556595.db2.gz DQHIFCXMFVTYTL-UHFFFAOYSA-N 2 2 345.451 1.009 20 0 EDADLP COCc1cccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)c1 ZINC000999917652 707559830 /nfs/dbraw/zinc/55/98/30/707559830.db2.gz VVNSGIOCSWXVJI-UHFFFAOYSA-N 2 2 342.443 1.809 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cnsn1 ZINC001004891814 707571960 /nfs/dbraw/zinc/57/19/60/707571960.db2.gz ATTLTJCLHHLCAP-HIFRSBDPSA-N 2 2 348.476 1.602 20 0 EDADLP C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004919863 707628041 /nfs/dbraw/zinc/62/80/41/707628041.db2.gz MNPWPUDKNXDPIY-CVEARBPZSA-N 2 2 344.463 1.566 20 0 EDADLP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001033392110 707725572 /nfs/dbraw/zinc/72/55/72/707725572.db2.gz ZAOCHIYQIUEBAF-KRWDZBQOSA-N 2 2 334.439 1.595 20 0 EDADLP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001033392110 707725575 /nfs/dbraw/zinc/72/55/75/707725575.db2.gz ZAOCHIYQIUEBAF-KRWDZBQOSA-N 2 2 334.439 1.595 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCc1ccccc1 ZINC001032732410 707737798 /nfs/dbraw/zinc/73/77/98/707737798.db2.gz BHVCDWYYVTUGPY-OALUTQOASA-N 2 2 338.455 1.881 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCc1ccccc1 ZINC001032732410 707737803 /nfs/dbraw/zinc/73/78/03/707737803.db2.gz BHVCDWYYVTUGPY-OALUTQOASA-N 2 2 338.455 1.881 20 0 EDADLP Cc1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)ncn1 ZINC001004957897 707755903 /nfs/dbraw/zinc/75/59/03/707755903.db2.gz VSBVRPHKGCOUCS-RHSMWYFYSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC001060909514 707775019 /nfs/dbraw/zinc/77/50/19/707775019.db2.gz GZFPYUMVBFKCAT-HNNXBMFYSA-N 2 2 347.463 1.156 20 0 EDADLP Cc1nocc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984858 707833208 /nfs/dbraw/zinc/83/32/08/707833208.db2.gz YOZYKGIBJCNWIE-PBHICJAKSA-N 2 2 345.447 1.818 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cncn1C ZINC001004987047 707839753 /nfs/dbraw/zinc/83/97/53/707839753.db2.gz BUUBOELQODARJW-RHSMWYFYSA-N 2 2 344.463 1.554 20 0 EDADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228869 707879415 /nfs/dbraw/zinc/87/94/15/707879415.db2.gz OWFPVWJKZGJQCW-JKSUJKDBSA-N 2 2 343.475 1.699 20 0 EDADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033228869 707879417 /nfs/dbraw/zinc/87/94/17/707879417.db2.gz OWFPVWJKZGJQCW-JKSUJKDBSA-N 2 2 343.475 1.699 20 0 EDADLP Cc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001033475750 707965748 /nfs/dbraw/zinc/96/57/48/707965748.db2.gz RBNOEQQFEHFARM-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP Cc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001033475750 707965749 /nfs/dbraw/zinc/96/57/49/707965749.db2.gz RBNOEQQFEHFARM-KRWDZBQOSA-N 2 2 345.491 1.550 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1c[nH+]cn1C)[NH+]1CCCC1 ZINC001032804083 708086350 /nfs/dbraw/zinc/08/63/50/708086350.db2.gz WNLCCQPWSMVXIO-BQFCYCMXSA-N 2 2 345.491 1.326 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc2cccnc21 ZINC001032815421 708155291 /nfs/dbraw/zinc/15/52/91/708155291.db2.gz YAEXWWIJLWKSKM-ROUUACIJSA-N 2 2 347.422 1.917 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc2cccnc21 ZINC001032815421 708155293 /nfs/dbraw/zinc/15/52/93/708155293.db2.gz YAEXWWIJLWKSKM-ROUUACIJSA-N 2 2 347.422 1.917 20 0 EDADLP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccns3)C2)CC1 ZINC001033532691 708155773 /nfs/dbraw/zinc/15/57/73/708155773.db2.gz SKUHGJQQMOFRJY-OAHLLOKOSA-N 2 2 336.505 1.908 20 0 EDADLP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccns3)C2)CC1 ZINC001033532691 708155774 /nfs/dbraw/zinc/15/57/74/708155774.db2.gz SKUHGJQQMOFRJY-OAHLLOKOSA-N 2 2 336.505 1.908 20 0 EDADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532737 708156498 /nfs/dbraw/zinc/15/64/98/708156498.db2.gz UDQQTFYOXNRVDH-IAGOWNOFSA-N 2 2 345.491 1.802 20 0 EDADLP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001033532737 708156500 /nfs/dbraw/zinc/15/65/00/708156500.db2.gz UDQQTFYOXNRVDH-IAGOWNOFSA-N 2 2 345.491 1.802 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033656650 708426108 /nfs/dbraw/zinc/42/61/08/708426108.db2.gz CRAOOIYGZRCYCJ-OAHLLOKOSA-N 2 2 336.867 1.864 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033656650 708426110 /nfs/dbraw/zinc/42/61/10/708426110.db2.gz CRAOOIYGZRCYCJ-OAHLLOKOSA-N 2 2 336.867 1.864 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001033656959 708427082 /nfs/dbraw/zinc/42/70/82/708427082.db2.gz GTAWLMPWAWHZHL-KRWDZBQOSA-N 2 2 347.507 1.767 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001033656959 708427084 /nfs/dbraw/zinc/42/70/84/708427084.db2.gz GTAWLMPWAWHZHL-KRWDZBQOSA-N 2 2 347.507 1.767 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2nnc(C)o2)CC1 ZINC001002159361 708673412 /nfs/dbraw/zinc/67/34/12/708673412.db2.gz RKUQANNMOHIFSZ-INIZCTEOSA-N 2 2 349.479 1.581 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033790148 708701344 /nfs/dbraw/zinc/70/13/44/708701344.db2.gz UBIGIISPGUTGOX-JKSUJKDBSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033790148 708701346 /nfs/dbraw/zinc/70/13/46/708701346.db2.gz UBIGIISPGUTGOX-JKSUJKDBSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033790148 708701348 /nfs/dbraw/zinc/70/13/48/708701348.db2.gz UBIGIISPGUTGOX-JKSUJKDBSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](Cc2ccsc2)C1 ZINC001033790148 708701350 /nfs/dbraw/zinc/70/13/50/708701350.db2.gz UBIGIISPGUTGOX-JKSUJKDBSA-N 2 2 337.489 1.502 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033829931 708850509 /nfs/dbraw/zinc/85/05/09/708850509.db2.gz DAQXJDRCRITUGK-HZPDHXFCSA-N 2 2 348.516 1.908 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033829931 708850512 /nfs/dbraw/zinc/85/05/12/708850512.db2.gz DAQXJDRCRITUGK-HZPDHXFCSA-N 2 2 348.516 1.908 20 0 EDADLP C[C@H](c1nncn1C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005407311 708937716 /nfs/dbraw/zinc/93/77/16/708937716.db2.gz PJHIGGIUIOZEAU-IIAWOOMASA-N 2 2 348.495 1.139 20 0 EDADLP C[C@H](c1nncn1C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005407311 708937719 /nfs/dbraw/zinc/93/77/19/708937719.db2.gz PJHIGGIUIOZEAU-IIAWOOMASA-N 2 2 348.495 1.139 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001002472556 709005784 /nfs/dbraw/zinc/00/57/84/709005784.db2.gz BXGRHHZZPPHQTO-OCCSQVGLSA-N 2 2 335.452 1.368 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001002472556 709005788 /nfs/dbraw/zinc/00/57/88/709005788.db2.gz BXGRHHZZPPHQTO-OCCSQVGLSA-N 2 2 335.452 1.368 20 0 EDADLP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+](CCF)C1 ZINC001033895902 709013554 /nfs/dbraw/zinc/01/35/54/709013554.db2.gz CNFYCINRTMZQHX-HNNXBMFYSA-N 2 2 331.395 1.773 20 0 EDADLP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@@H+](CCF)C1 ZINC001033895902 709013558 /nfs/dbraw/zinc/01/35/58/709013558.db2.gz CNFYCINRTMZQHX-HNNXBMFYSA-N 2 2 331.395 1.773 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(CF)cc3)CC2)C1 ZINC001002523566 709078286 /nfs/dbraw/zinc/07/82/86/709078286.db2.gz PDBWQQDBUBDDCC-GOSISDBHSA-N 2 2 349.450 1.567 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(CF)cc3)CC2)C1 ZINC001002523566 709078289 /nfs/dbraw/zinc/07/82/89/709078289.db2.gz PDBWQQDBUBDDCC-GOSISDBHSA-N 2 2 349.450 1.567 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCc3ccccc3F)CC2)C1 ZINC001002534967 709092889 /nfs/dbraw/zinc/09/28/89/709092889.db2.gz NITZVVKYYHCTHA-GOSISDBHSA-N 2 2 349.450 1.279 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCc3ccccc3F)CC2)C1 ZINC001002534967 709092891 /nfs/dbraw/zinc/09/28/91/709092891.db2.gz NITZVVKYYHCTHA-GOSISDBHSA-N 2 2 349.450 1.279 20 0 EDADLP COc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001034140099 709390470 /nfs/dbraw/zinc/39/04/70/709390470.db2.gz WWXUYXBYDCZHBO-YJBOKZPZSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001034140099 709390473 /nfs/dbraw/zinc/39/04/73/709390473.db2.gz WWXUYXBYDCZHBO-YJBOKZPZSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001034140099 709390475 /nfs/dbraw/zinc/39/04/75/709390475.db2.gz WWXUYXBYDCZHBO-YJBOKZPZSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001034140099 709390478 /nfs/dbraw/zinc/39/04/78/709390478.db2.gz WWXUYXBYDCZHBO-YJBOKZPZSA-N 2 2 346.475 1.655 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002791946 709400072 /nfs/dbraw/zinc/40/00/72/709400072.db2.gz JRZRFZQGWDYFRA-QGZVFWFLSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002791946 709400075 /nfs/dbraw/zinc/40/00/75/709400075.db2.gz JRZRFZQGWDYFRA-QGZVFWFLSA-N 2 2 334.464 1.936 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(F)(F)F)C2)C1 ZINC001034148562 709420078 /nfs/dbraw/zinc/42/00/78/709420078.db2.gz LHMITCIWASSQJY-QWHCGFSZSA-N 2 2 337.386 1.240 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCCC[NH+](CCC(F)(F)F)C2)C1 ZINC001034148562 709420080 /nfs/dbraw/zinc/42/00/80/709420080.db2.gz LHMITCIWASSQJY-QWHCGFSZSA-N 2 2 337.386 1.240 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC(F)(F)F)C2)C1 ZINC001034148562 709420082 /nfs/dbraw/zinc/42/00/82/709420082.db2.gz LHMITCIWASSQJY-QWHCGFSZSA-N 2 2 337.386 1.240 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CCC(F)(F)F)C2)C1 ZINC001034148562 709420084 /nfs/dbraw/zinc/42/00/84/709420084.db2.gz LHMITCIWASSQJY-QWHCGFSZSA-N 2 2 337.386 1.240 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001002852640 709462998 /nfs/dbraw/zinc/46/29/98/709462998.db2.gz SDCNFGBUTRKTTA-CZUORRHYSA-N 2 2 334.464 1.658 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001002852640 709463000 /nfs/dbraw/zinc/46/30/00/709463000.db2.gz SDCNFGBUTRKTTA-CZUORRHYSA-N 2 2 334.464 1.658 20 0 EDADLP C[C@H](C(N)=O)[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210755 709561211 /nfs/dbraw/zinc/56/12/11/709561211.db2.gz JKBKTTJDHUGSMW-HUUCEWRRSA-N 2 2 338.496 1.095 20 0 EDADLP C[C@H](C(N)=O)[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210755 709561213 /nfs/dbraw/zinc/56/12/13/709561213.db2.gz JKBKTTJDHUGSMW-HUUCEWRRSA-N 2 2 338.496 1.095 20 0 EDADLP CNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290074 709714827 /nfs/dbraw/zinc/71/48/27/709714827.db2.gz DMSUQKYLTAZFDJ-ZFWWWQNUSA-N 2 2 343.431 1.053 20 0 EDADLP CNC(=O)[C@H](C)[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290074 709714828 /nfs/dbraw/zinc/71/48/28/709714828.db2.gz DMSUQKYLTAZFDJ-ZFWWWQNUSA-N 2 2 343.431 1.053 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC001034308890 709750293 /nfs/dbraw/zinc/75/02/93/709750293.db2.gz HNWUTIJDQOSRFG-CVEARBPZSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+]([C@H](C)c2cnccn2)C1 ZINC001034308890 709750297 /nfs/dbraw/zinc/75/02/97/709750297.db2.gz HNWUTIJDQOSRFG-CVEARBPZSA-N 2 2 342.447 1.713 20 0 EDADLP Cc1nc(N(C)[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC001061217976 709757448 /nfs/dbraw/zinc/75/74/48/709757448.db2.gz NWJZFMDXSUFPPZ-MRXNPFEDSA-N 2 2 331.464 1.554 20 0 EDADLP Cc1nonc1C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385734 709913925 /nfs/dbraw/zinc/91/39/25/709913925.db2.gz NOKKDTSLZSHEMH-HNNXBMFYSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1nonc1C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385734 709913926 /nfs/dbraw/zinc/91/39/26/709913926.db2.gz NOKKDTSLZSHEMH-HNNXBMFYSA-N 2 2 335.452 1.191 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001034393880 709928141 /nfs/dbraw/zinc/92/81/41/709928141.db2.gz HHJKMFRXUHSFIW-QAPCUYQASA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001034393880 709928144 /nfs/dbraw/zinc/92/81/44/709928144.db2.gz HHJKMFRXUHSFIW-QAPCUYQASA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001034393880 709928147 /nfs/dbraw/zinc/92/81/47/709928147.db2.gz HHJKMFRXUHSFIW-QAPCUYQASA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001034393880 709928150 /nfs/dbraw/zinc/92/81/50/709928150.db2.gz HHJKMFRXUHSFIW-QAPCUYQASA-N 2 2 345.491 1.598 20 0 EDADLP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1)OC ZINC001003180392 710096514 /nfs/dbraw/zinc/09/65/14/710096514.db2.gz RMJQPJOCCABWMB-RHSMWYFYSA-N 2 2 334.464 1.451 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3cscn3)C2)C1 ZINC001034491655 710112525 /nfs/dbraw/zinc/11/25/25/710112525.db2.gz XCDNWFHAUPMIMC-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3cscn3)C2)C1 ZINC001034491655 710112527 /nfs/dbraw/zinc/11/25/27/710112527.db2.gz XCDNWFHAUPMIMC-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@H+](Cc3cscn3)C2)C1 ZINC001034491655 710112529 /nfs/dbraw/zinc/11/25/29/710112529.db2.gz XCDNWFHAUPMIMC-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3cscn3)C2)C1 ZINC001034491655 710112530 /nfs/dbraw/zinc/11/25/30/710112530.db2.gz XCDNWFHAUPMIMC-HUUCEWRRSA-N 2 2 336.505 1.956 20 0 EDADLP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)OC ZINC001003192301 710126518 /nfs/dbraw/zinc/12/65/18/710126518.db2.gz GNDYQBXZQXXHQO-GOEBONIOSA-N 2 2 334.464 1.451 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001034484179 710128207 /nfs/dbraw/zinc/12/82/07/710128207.db2.gz JREXVACDQRNKEM-AWEZNQCLSA-N 2 2 340.418 1.979 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001034484179 710128209 /nfs/dbraw/zinc/12/82/09/710128209.db2.gz JREXVACDQRNKEM-AWEZNQCLSA-N 2 2 340.418 1.979 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525866 710176702 /nfs/dbraw/zinc/17/67/02/710176702.db2.gz QRIYCYDVRVDFQQ-HOTGVXAUSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525866 710176703 /nfs/dbraw/zinc/17/67/03/710176703.db2.gz QRIYCYDVRVDFQQ-HOTGVXAUSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525866 710176704 /nfs/dbraw/zinc/17/67/04/710176704.db2.gz QRIYCYDVRVDFQQ-HOTGVXAUSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034525866 710176705 /nfs/dbraw/zinc/17/67/05/710176705.db2.gz QRIYCYDVRVDFQQ-HOTGVXAUSA-N 2 2 331.464 1.207 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034546734 710220311 /nfs/dbraw/zinc/22/03/11/710220311.db2.gz JMOBNJWDBBFJFR-KRWDZBQOSA-N 2 2 334.464 1.671 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC001034546734 710220312 /nfs/dbraw/zinc/22/03/12/710220312.db2.gz JMOBNJWDBBFJFR-KRWDZBQOSA-N 2 2 334.464 1.671 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034665672 710334788 /nfs/dbraw/zinc/33/47/88/710334788.db2.gz OTNSOQLGOCDHPJ-RFBLXINOSA-N 2 2 332.448 1.567 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034665672 710334790 /nfs/dbraw/zinc/33/47/90/710334790.db2.gz OTNSOQLGOCDHPJ-RFBLXINOSA-N 2 2 332.448 1.567 20 0 EDADLP C[C@@H](c1ncccn1)[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003423178 710338810 /nfs/dbraw/zinc/33/88/10/710338810.db2.gz AGQLQEOIZJPDFL-HNNXBMFYSA-N 2 2 345.491 1.993 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCCO2)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001003606582 710446724 /nfs/dbraw/zinc/44/67/24/710446724.db2.gz OEGINGPZUGSGCU-JKSUJKDBSA-N 2 2 346.475 1.979 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001003625665 710454850 /nfs/dbraw/zinc/45/48/50/710454850.db2.gz ISZOEFYGTWVPBH-ZFWWWQNUSA-N 2 2 334.464 1.966 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001003625665 710454851 /nfs/dbraw/zinc/45/48/51/710454851.db2.gz ISZOEFYGTWVPBH-ZFWWWQNUSA-N 2 2 334.464 1.966 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)C1 ZINC001003631140 710460348 /nfs/dbraw/zinc/46/03/48/710460348.db2.gz RLTHZWCQPDJPOE-HNNXBMFYSA-N 2 2 345.491 1.252 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cc4n(n3)CCC4)CC2)C1 ZINC001003631140 710460349 /nfs/dbraw/zinc/46/03/49/710460349.db2.gz RLTHZWCQPDJPOE-HNNXBMFYSA-N 2 2 345.491 1.252 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC001061327277 710576446 /nfs/dbraw/zinc/57/64/46/710576446.db2.gz GMGWVYRCLRMKSC-CVEARBPZSA-N 2 2 331.464 1.581 20 0 EDADLP Cc1nc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC001061327277 710576447 /nfs/dbraw/zinc/57/64/47/710576447.db2.gz GMGWVYRCLRMKSC-CVEARBPZSA-N 2 2 331.464 1.581 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC001005594439 710655799 /nfs/dbraw/zinc/65/57/99/710655799.db2.gz YTCXGRGJOVPDGN-QGZVFWFLSA-N 2 2 345.491 1.692 20 0 EDADLP Cc1cnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)CC2)nc1 ZINC001005594439 710655800 /nfs/dbraw/zinc/65/58/00/710655800.db2.gz YTCXGRGJOVPDGN-QGZVFWFLSA-N 2 2 345.491 1.692 20 0 EDADLP CN(C(=O)c1cc(C[NH+](C)C)on1)C1CC[NH+](CCCF)CC1 ZINC001005639002 710793631 /nfs/dbraw/zinc/79/36/31/710793631.db2.gz MYOHTNJRJKSSJR-UHFFFAOYSA-N 2 2 326.416 1.632 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001032946480 710927788 /nfs/dbraw/zinc/92/77/88/710927788.db2.gz WZZRDOWEANCJSH-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001032946480 710927791 /nfs/dbraw/zinc/92/77/91/710927791.db2.gz WZZRDOWEANCJSH-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001032946480 710927796 /nfs/dbraw/zinc/92/77/96/710927796.db2.gz WZZRDOWEANCJSH-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001032946480 710927800 /nfs/dbraw/zinc/92/78/00/710927800.db2.gz WZZRDOWEANCJSH-HUUCEWRRSA-N 2 2 336.867 1.862 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC001034775893 711051015 /nfs/dbraw/zinc/05/10/15/711051015.db2.gz MFODSUGRPJIFBA-JOCQHMNTSA-N 2 2 346.435 1.125 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001032975021 711063434 /nfs/dbraw/zinc/06/34/34/711063434.db2.gz FRRZYISSYCGOKP-AEFFLSMTSA-N 2 2 349.450 1.232 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001032975021 711063438 /nfs/dbraw/zinc/06/34/38/711063438.db2.gz FRRZYISSYCGOKP-AEFFLSMTSA-N 2 2 349.450 1.232 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001032975021 711063443 /nfs/dbraw/zinc/06/34/43/711063443.db2.gz FRRZYISSYCGOKP-AEFFLSMTSA-N 2 2 349.450 1.232 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CCc2ccccc2F)C1 ZINC001032975021 711063444 /nfs/dbraw/zinc/06/34/44/711063444.db2.gz FRRZYISSYCGOKP-AEFFLSMTSA-N 2 2 349.450 1.232 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1)c1cnccn1 ZINC001034778439 711080280 /nfs/dbraw/zinc/08/02/80/711080280.db2.gz SRNQBTQFOJDSBH-RBSFLKMASA-N 2 2 342.447 1.531 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003969792 711118690 /nfs/dbraw/zinc/11/86/90/711118690.db2.gz CEDQZXHEDGOQKQ-TZMCWYRMSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003969792 711118693 /nfs/dbraw/zinc/11/86/93/711118693.db2.gz CEDQZXHEDGOQKQ-TZMCWYRMSA-N 2 2 335.452 1.361 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC001034801012 711140541 /nfs/dbraw/zinc/14/05/41/711140541.db2.gz DBQINONYCWGLRO-SHTZXODSSA-N 2 2 342.447 1.243 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001003982822 711180768 /nfs/dbraw/zinc/18/07/68/711180768.db2.gz BGMKPLDZHJINQD-LBPRGKRZSA-N 2 2 333.436 1.115 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001003986240 711191468 /nfs/dbraw/zinc/19/14/68/711191468.db2.gz SFRRDNLRBOOPMH-ZDUSSCGKSA-N 2 2 347.463 1.369 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001034825113 711227714 /nfs/dbraw/zinc/22/77/14/711227714.db2.gz XAZRADDWBPLDOC-KBXCAEBGSA-N 2 2 342.443 1.778 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001034825113 711227718 /nfs/dbraw/zinc/22/77/18/711227718.db2.gz XAZRADDWBPLDOC-KBXCAEBGSA-N 2 2 342.443 1.778 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)o1 ZINC001034957719 711430026 /nfs/dbraw/zinc/43/00/26/711430026.db2.gz GNRYEZBJRRHHRA-IUODEOHRSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)o1 ZINC001034957719 711430029 /nfs/dbraw/zinc/43/00/29/711430029.db2.gz GNRYEZBJRRHHRA-IUODEOHRSA-N 2 2 335.452 1.504 20 0 EDADLP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147161 711558232 /nfs/dbraw/zinc/55/82/32/711558232.db2.gz DMFKHTAKECGHAM-ZDUSSCGKSA-N 2 2 347.463 1.684 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033126733 711890912 /nfs/dbraw/zinc/89/09/12/711890912.db2.gz PJNFXVDLVKAMRH-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033126733 711890913 /nfs/dbraw/zinc/89/09/13/711890913.db2.gz PJNFXVDLVKAMRH-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033126733 711890915 /nfs/dbraw/zinc/89/09/15/711890915.db2.gz PJNFXVDLVKAMRH-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033126733 711890916 /nfs/dbraw/zinc/89/09/16/711890916.db2.gz PJNFXVDLVKAMRH-RDJZCZTQSA-N 2 2 333.480 1.327 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@@H]2CCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001004627515 712085533 /nfs/dbraw/zinc/08/55/33/712085533.db2.gz ZUXYMHYZLDNMSQ-AEFFLSMTSA-N 2 2 346.475 1.623 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001004627515 712085534 /nfs/dbraw/zinc/08/55/34/712085534.db2.gz ZUXYMHYZLDNMSQ-AEFFLSMTSA-N 2 2 346.475 1.623 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001033151119 712117461 /nfs/dbraw/zinc/11/74/61/712117461.db2.gz IIMSTANHVSQLPT-ROUUACIJSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001033151119 712117464 /nfs/dbraw/zinc/11/74/64/712117464.db2.gz IIMSTANHVSQLPT-ROUUACIJSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001033151119 712117466 /nfs/dbraw/zinc/11/74/66/712117466.db2.gz IIMSTANHVSQLPT-ROUUACIJSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)[NH+]1CCC[C@H]1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001033151119 712117469 /nfs/dbraw/zinc/11/74/69/712117469.db2.gz IIMSTANHVSQLPT-ROUUACIJSA-N 2 2 347.507 1.716 20 0 EDADLP CC(C)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000050798026 214071186 /nfs/dbraw/zinc/07/11/86/214071186.db2.gz ALBORNDXGGEZJI-UHFFFAOYSA-N 2 2 333.480 1.822 20 0 EDADLP C[C@H](NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000333393053 299083737 /nfs/dbraw/zinc/08/37/37/299083737.db2.gz PBAZKRNTFDRXBP-ZOBUZTSGSA-N 2 2 338.496 1.127 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000356968672 282222445 /nfs/dbraw/zinc/22/24/45/282222445.db2.gz CCLJDQUBGJMTBO-KRWDZBQOSA-N 2 2 339.524 1.972 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000173180083 282255099 /nfs/dbraw/zinc/25/50/99/282255099.db2.gz FHGUHHGEZPXBIT-CRAIPNDOSA-N 2 2 337.508 1.724 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000173180083 282255101 /nfs/dbraw/zinc/25/51/01/282255101.db2.gz FHGUHHGEZPXBIT-CRAIPNDOSA-N 2 2 337.508 1.724 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000559303732 306253571 /nfs/dbraw/zinc/25/35/71/306253571.db2.gz SPGIYPQCDNVYEL-INIZCTEOSA-N 2 2 349.460 1.041 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000559303732 306253572 /nfs/dbraw/zinc/25/35/72/306253572.db2.gz SPGIYPQCDNVYEL-INIZCTEOSA-N 2 2 349.460 1.041 20 0 EDADLP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000153207302 529831781 /nfs/dbraw/zinc/83/17/81/529831781.db2.gz ADSKWQZAJPQDIG-OWCLPIDISA-N 2 2 329.448 1.538 20 0 EDADLP C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000153207302 529831782 /nfs/dbraw/zinc/83/17/82/529831782.db2.gz ADSKWQZAJPQDIG-OWCLPIDISA-N 2 2 329.448 1.538 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc3c[nH+]cn3c2)no1 ZINC000559564253 306256417 /nfs/dbraw/zinc/25/64/17/306256417.db2.gz IRSJIBFTYYCLAU-UHFFFAOYSA-N 2 2 328.376 1.444 20 0 EDADLP C[C@H]1COCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000433461760 305110182 /nfs/dbraw/zinc/11/01/82/305110182.db2.gz WKXFUYZDJDQSEM-HOCLYGCPSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1COCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000433461760 305110183 /nfs/dbraw/zinc/11/01/83/305110183.db2.gz WKXFUYZDJDQSEM-HOCLYGCPSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCCO1 ZINC000178508542 232212596 /nfs/dbraw/zinc/21/25/96/232212596.db2.gz AUINXAUROVSMPU-YJBOKZPZSA-N 2 2 342.443 1.439 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093663993 539522999 /nfs/dbraw/zinc/52/29/99/539522999.db2.gz CBKWIXGSDDLQAN-IBGZPJMESA-N 3 2 347.503 1.781 20 0 EDADLP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093663993 539523002 /nfs/dbraw/zinc/52/30/02/539523002.db2.gz CBKWIXGSDDLQAN-IBGZPJMESA-N 3 2 347.503 1.781 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCCC[C@@H]1C ZINC000560501990 306272240 /nfs/dbraw/zinc/27/22/40/306272240.db2.gz RBPBCHUZMGHTLK-VVLHAWIVSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCCC[C@@H]1C ZINC000560501990 306272241 /nfs/dbraw/zinc/27/22/41/306272241.db2.gz RBPBCHUZMGHTLK-VVLHAWIVSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@@H+]1CCCC[C@@H]1C ZINC000560501990 306272242 /nfs/dbraw/zinc/27/22/42/306272242.db2.gz RBPBCHUZMGHTLK-VVLHAWIVSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[N@H+]1CCCC[C@@H]1C ZINC000560501990 306272243 /nfs/dbraw/zinc/27/22/43/306272243.db2.gz RBPBCHUZMGHTLK-VVLHAWIVSA-N 2 2 338.496 1.412 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000561147522 306282629 /nfs/dbraw/zinc/28/26/29/306282629.db2.gz NHTITPQFZVSZNM-IBGZPJMESA-N 2 2 339.443 1.826 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561191285 306284311 /nfs/dbraw/zinc/28/43/11/306284311.db2.gz CDKDTULCESCUOI-TUKIKUTGSA-N 2 2 340.830 1.967 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561191285 306284312 /nfs/dbraw/zinc/28/43/12/306284312.db2.gz CDKDTULCESCUOI-TUKIKUTGSA-N 2 2 340.830 1.967 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H](CCCO)c2ccccc2)C[C@H](C)O1 ZINC000341884102 539754299 /nfs/dbraw/zinc/75/42/99/539754299.db2.gz KDXRSHCHGLQBHP-UKBAYJJMSA-N 2 2 336.476 1.560 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H](CCCO)c2ccccc2)C[C@H](C)O1 ZINC000341884102 539754305 /nfs/dbraw/zinc/75/43/05/539754305.db2.gz KDXRSHCHGLQBHP-UKBAYJJMSA-N 2 2 336.476 1.560 20 0 EDADLP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H](C)C1 ZINC000561760781 306290773 /nfs/dbraw/zinc/29/07/73/306290773.db2.gz CCPPGABTSNPKHM-OFQRWUPVSA-N 2 2 340.431 1.465 20 0 EDADLP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H](C)C1 ZINC000561760781 306290774 /nfs/dbraw/zinc/29/07/74/306290774.db2.gz CCPPGABTSNPKHM-OFQRWUPVSA-N 2 2 340.431 1.465 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ncccc3O)CC2)CC1 ZINC000561947210 306291545 /nfs/dbraw/zinc/29/15/45/306291545.db2.gz QWCUJFGZESRHOU-UHFFFAOYSA-N 2 2 332.448 1.163 20 0 EDADLP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000116546895 299168251 /nfs/dbraw/zinc/16/82/51/299168251.db2.gz GGJSAXBVEVHAPA-JYJNAYRXSA-N 2 2 342.528 1.761 20 0 EDADLP C[NH+]1CCN([C@H](CNC(=O)Cn2cc[nH+]c2)c2cccs2)CC1 ZINC000562273454 306293844 /nfs/dbraw/zinc/29/38/44/306293844.db2.gz BDFHFWARBSZPQM-CQSZACIVSA-N 2 2 333.461 1.050 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H](C)[NH2+]C1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000563157660 306320788 /nfs/dbraw/zinc/32/07/88/306320788.db2.gz KRPWLWQMYJLULY-GOEBONIOSA-N 3 2 345.491 1.514 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000095978757 283054460 /nfs/dbraw/zinc/05/44/60/283054460.db2.gz WRHHQTQURPMDSV-BZUAXINKSA-N 2 2 339.386 1.157 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000095978757 283054462 /nfs/dbraw/zinc/05/44/62/283054462.db2.gz WRHHQTQURPMDSV-BZUAXINKSA-N 2 2 339.386 1.157 20 0 EDADLP C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000095978757 283054468 /nfs/dbraw/zinc/05/44/68/283054468.db2.gz WRHHQTQURPMDSV-BZUAXINKSA-N 2 2 339.386 1.157 20 0 EDADLP C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000095978757 283054472 /nfs/dbraw/zinc/05/44/72/283054472.db2.gz WRHHQTQURPMDSV-BZUAXINKSA-N 2 2 339.386 1.157 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000276647574 540062418 /nfs/dbraw/zinc/06/24/18/540062418.db2.gz YPTUYYKMTLLCTN-SFHVURJKSA-N 2 2 342.443 1.615 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000276647574 540062421 /nfs/dbraw/zinc/06/24/21/540062421.db2.gz YPTUYYKMTLLCTN-SFHVURJKSA-N 2 2 342.443 1.615 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000276647574 540062423 /nfs/dbraw/zinc/06/24/23/540062423.db2.gz YPTUYYKMTLLCTN-SFHVURJKSA-N 2 2 342.443 1.615 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000276647574 540062427 /nfs/dbraw/zinc/06/24/27/540062427.db2.gz YPTUYYKMTLLCTN-SFHVURJKSA-N 2 2 342.443 1.615 20 0 EDADLP C[C@@H](CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000563253567 306324710 /nfs/dbraw/zinc/32/47/10/306324710.db2.gz WMHOJSKDUHYPFL-MAUKXSAKSA-N 2 2 342.443 1.717 20 0 EDADLP C[C@@H](CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000563253567 306324711 /nfs/dbraw/zinc/32/47/11/306324711.db2.gz WMHOJSKDUHYPFL-MAUKXSAKSA-N 2 2 342.443 1.717 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069044675 138197179 /nfs/dbraw/zinc/19/71/79/138197179.db2.gz CATJUXXMXZFKRD-MRXNPFEDSA-N 2 2 338.496 1.415 20 0 EDADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069044675 138197182 /nfs/dbraw/zinc/19/71/82/138197182.db2.gz CATJUXXMXZFKRD-MRXNPFEDSA-N 2 2 338.496 1.415 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802903 138201579 /nfs/dbraw/zinc/20/15/79/138201579.db2.gz GDQPLWPZJCRYMP-QZTJIDSGSA-N 2 2 337.508 1.822 20 0 EDADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802903 138201581 /nfs/dbraw/zinc/20/15/81/138201581.db2.gz GDQPLWPZJCRYMP-QZTJIDSGSA-N 2 2 337.508 1.822 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000072973853 138212019 /nfs/dbraw/zinc/21/20/19/138212019.db2.gz JONOGDAUHPYUFV-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000072973853 138212020 /nfs/dbraw/zinc/21/20/20/138212020.db2.gz JONOGDAUHPYUFV-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP C[N@@H+](CC(=O)NC1CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110181 138247119 /nfs/dbraw/zinc/24/71/19/138247119.db2.gz MCYREHDHCSFHSC-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP C[N@H+](CC(=O)NC1CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110181 138247120 /nfs/dbraw/zinc/24/71/20/138247120.db2.gz MCYREHDHCSFHSC-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CC(=O)NC1CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110181 138247121 /nfs/dbraw/zinc/24/71/21/138247121.db2.gz MCYREHDHCSFHSC-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP C[NH+](CC(=O)NC1CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110181 138247122 /nfs/dbraw/zinc/24/71/22/138247122.db2.gz MCYREHDHCSFHSC-SFHVURJKSA-N 2 2 345.487 1.736 20 0 EDADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000084695167 138270143 /nfs/dbraw/zinc/27/01/43/138270143.db2.gz STVHPYCGZGLQCV-KRWDZBQOSA-N 2 2 325.497 1.583 20 0 EDADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000084695167 138270144 /nfs/dbraw/zinc/27/01/44/138270144.db2.gz STVHPYCGZGLQCV-KRWDZBQOSA-N 2 2 325.497 1.583 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003917 138277254 /nfs/dbraw/zinc/27/72/54/138277254.db2.gz YPSLLDURGLEAPP-ZIAGYGMSSA-N 2 2 328.420 1.492 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003917 138277255 /nfs/dbraw/zinc/27/72/55/138277255.db2.gz YPSLLDURGLEAPP-ZIAGYGMSSA-N 2 2 328.420 1.492 20 0 EDADLP CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000563584861 306339817 /nfs/dbraw/zinc/33/98/17/306339817.db2.gz QDBGOOUVWBKIQJ-OAGGEKHMSA-N 2 2 326.485 1.255 20 0 EDADLP CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000563584861 306339818 /nfs/dbraw/zinc/33/98/18/306339818.db2.gz QDBGOOUVWBKIQJ-OAGGEKHMSA-N 2 2 326.485 1.255 20 0 EDADLP C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178244 138292492 /nfs/dbraw/zinc/29/24/92/138292492.db2.gz PMCAUQHTAHRBJI-QKFKETGDSA-N 2 2 337.489 1.191 20 0 EDADLP C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093178244 138292493 /nfs/dbraw/zinc/29/24/93/138292493.db2.gz PMCAUQHTAHRBJI-QKFKETGDSA-N 2 2 337.489 1.191 20 0 EDADLP Cc1cc(C)n2c(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cnc2n1 ZINC000093664619 138294321 /nfs/dbraw/zinc/29/43/21/138294321.db2.gz JGGMLLCJDAVUFP-MRXNPFEDSA-N 2 2 329.448 1.500 20 0 EDADLP Cc1cc(C)n2c(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cnc2n1 ZINC000093664619 138294322 /nfs/dbraw/zinc/29/43/22/138294322.db2.gz JGGMLLCJDAVUFP-MRXNPFEDSA-N 2 2 329.448 1.500 20 0 EDADLP CC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])Oc1ccccc1C ZINC000563588489 306340185 /nfs/dbraw/zinc/34/01/85/306340185.db2.gz PTMBWCPANIJAKD-HOTGVXAUSA-N 2 2 334.464 1.437 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC000121089754 138316793 /nfs/dbraw/zinc/31/67/93/138316793.db2.gz NBORBIQFKJQRFA-UHFFFAOYSA-N 2 2 335.423 1.443 20 0 EDADLP CN(C(=O)c1cnn(C)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124779766 138329664 /nfs/dbraw/zinc/32/96/64/138329664.db2.gz WTDAEKOUTXKDPX-QZTJIDSGSA-N 2 2 347.507 1.829 20 0 EDADLP CN(C(=O)c1cnn(C)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124779766 138329665 /nfs/dbraw/zinc/32/96/65/138329665.db2.gz WTDAEKOUTXKDPX-QZTJIDSGSA-N 2 2 347.507 1.829 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000125040517 138331581 /nfs/dbraw/zinc/33/15/81/138331581.db2.gz XSTITQYVCGOBGI-HUUCEWRRSA-N 2 2 337.468 1.460 20 0 EDADLP C[C@H](CNC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)[NH+]1CCOCC1 ZINC000126226610 138337634 /nfs/dbraw/zinc/33/76/34/138337634.db2.gz AHTJEVLSWUQQBV-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](CNC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+]1CCOCC1 ZINC000126226610 138337635 /nfs/dbraw/zinc/33/76/35/138337635.db2.gz AHTJEVLSWUQQBV-HZPDHXFCSA-N 2 2 338.496 1.365 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C ZINC000130449917 138341497 /nfs/dbraw/zinc/34/14/97/138341497.db2.gz IUYUESYHDDMUBJ-IYBDPMFKSA-N 2 2 329.448 1.808 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1C ZINC000130449917 138341498 /nfs/dbraw/zinc/34/14/98/138341498.db2.gz IUYUESYHDDMUBJ-IYBDPMFKSA-N 2 2 329.448 1.808 20 0 EDADLP CSCCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000130527707 138342107 /nfs/dbraw/zinc/34/21/07/138342107.db2.gz XNAASTSIQDAXEV-UHFFFAOYSA-N 2 2 342.553 1.941 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000563726865 306346115 /nfs/dbraw/zinc/34/61/15/306346115.db2.gz QBVHGAOJBDEWGL-MRXNPFEDSA-N 2 2 345.491 1.050 20 0 EDADLP C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000186814530 236030297 /nfs/dbraw/zinc/03/02/97/236030297.db2.gz BDPMMMSKWYNGHB-IIDMSEBBSA-N 2 2 348.466 1.450 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC2)CC1 ZINC000112358149 283318806 /nfs/dbraw/zinc/31/88/06/283318806.db2.gz NOEPNKMOLSPDEU-MRXNPFEDSA-N 2 2 338.540 1.782 20 0 EDADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000187755232 236292521 /nfs/dbraw/zinc/29/25/21/236292521.db2.gz NQZMTFRSCSVHTG-CRAIPNDOSA-N 2 2 326.444 1.855 20 0 EDADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000187755232 236292524 /nfs/dbraw/zinc/29/25/24/236292524.db2.gz NQZMTFRSCSVHTG-CRAIPNDOSA-N 2 2 326.444 1.855 20 0 EDADLP NC(=O)[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc(Br)c1 ZINC000367147844 283344302 /nfs/dbraw/zinc/34/43/02/283344302.db2.gz HPMQYTOKNXSDPI-GXTWGEPZSA-N 2 2 349.232 1.777 20 0 EDADLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cnccn3)CC2)C[C@@H](C)O1 ZINC000564711552 306362960 /nfs/dbraw/zinc/36/29/60/306362960.db2.gz YHYUGZCPTRSSRD-HZPDHXFCSA-N 2 2 334.464 1.567 20 0 EDADLP CC1CC[NH+](Cc2csc(NC(=O)C[C@@H]3COCC[NH2+]3)n2)CC1 ZINC000564797885 306365394 /nfs/dbraw/zinc/36/53/94/306365394.db2.gz ZOZSGHJCJVXSNI-CYBMUJFWSA-N 2 2 338.477 1.692 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417658939 283584106 /nfs/dbraw/zinc/58/41/06/283584106.db2.gz KLRFHUZFAJDPGF-FZMZJTMJSA-N 2 2 328.407 1.722 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2cccc3ccoc32)CN1CC[NH+]1CCOCC1 ZINC000565284977 306380421 /nfs/dbraw/zinc/38/04/21/306380421.db2.gz CKPGJQOLYPQOIP-QGZVFWFLSA-N 2 2 343.427 1.456 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000131659775 223255650 /nfs/dbraw/zinc/25/56/50/223255650.db2.gz MSGFAKQCEOFWHF-GOSISDBHSA-N 3 2 344.459 1.278 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000131659775 223255652 /nfs/dbraw/zinc/25/56/52/223255652.db2.gz MSGFAKQCEOFWHF-GOSISDBHSA-N 3 2 344.459 1.278 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](CO)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000072801588 216308872 /nfs/dbraw/zinc/30/88/72/216308872.db2.gz MPAMUYPHPGMYAT-QGZVFWFLSA-N 2 2 347.459 1.162 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](CO)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000072801588 216308876 /nfs/dbraw/zinc/30/88/76/216308876.db2.gz MPAMUYPHPGMYAT-QGZVFWFLSA-N 2 2 347.459 1.162 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000072823634 216311464 /nfs/dbraw/zinc/31/14/64/216311464.db2.gz CHLLJBVCBZDXGN-MRXNPFEDSA-N 2 2 347.459 1.695 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000072823634 216311468 /nfs/dbraw/zinc/31/14/68/216311468.db2.gz CHLLJBVCBZDXGN-MRXNPFEDSA-N 2 2 347.459 1.695 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)C1([NH+]2CCOCC2)CCCC1 ZINC000354653719 296101583 /nfs/dbraw/zinc/10/15/83/296101583.db2.gz CQBNERDNLHFBQO-HZPDHXFCSA-N 2 2 346.475 1.910 20 0 EDADLP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)cc(Cl)c1OCC(N)=O ZINC000414803852 304142560 /nfs/dbraw/zinc/14/25/60/304142560.db2.gz WXZZOKUBGLIJNR-LBPRGKRZSA-N 2 2 329.828 1.286 20 0 EDADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1ccc(F)cc1 ZINC000566792406 306428796 /nfs/dbraw/zinc/42/87/96/306428796.db2.gz WKNOZKWJYURTHP-MRXNPFEDSA-N 2 2 333.407 1.931 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)ccc1OCC(F)(F)F ZINC000415096660 304159455 /nfs/dbraw/zinc/15/94/55/304159455.db2.gz QFDXEHWVDQCFRW-GFCCVEGCSA-N 2 2 334.338 1.714 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000415117552 304161179 /nfs/dbraw/zinc/16/11/79/304161179.db2.gz VOXMKEKCGFXCLO-MRXNPFEDSA-N 2 2 325.478 1.356 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C1CC[NH2+]CC1 ZINC000237503618 139052771 /nfs/dbraw/zinc/05/27/71/139052771.db2.gz AOOFWLRPEXWPDZ-KRWDZBQOSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000567462926 306452835 /nfs/dbraw/zinc/45/28/35/306452835.db2.gz MVFPEALFMPKXGA-KEYYUXOJSA-N 2 2 337.489 1.875 20 0 EDADLP C[C@]1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000237579373 139054731 /nfs/dbraw/zinc/05/47/31/139054731.db2.gz WVMLBLYMYWNTQL-IBGZPJMESA-N 2 2 347.459 1.013 20 0 EDADLP [NH3+]CCCC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000237903666 139063281 /nfs/dbraw/zinc/06/32/81/139063281.db2.gz USBGOPCTPDYRFV-UHFFFAOYSA-N 2 2 325.840 1.602 20 0 EDADLP O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CC[NH2+]CC1 ZINC000238081545 139068487 /nfs/dbraw/zinc/06/84/87/139068487.db2.gz LWXZXVSIDQOPDO-UHFFFAOYSA-N 2 2 347.459 1.013 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NC1CC[NH2+]CC1 ZINC000567714747 306460511 /nfs/dbraw/zinc/46/05/11/306460511.db2.gz XAGWBUQVDXXKQE-CQSZACIVSA-N 2 2 338.477 1.173 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245881394 139088364 /nfs/dbraw/zinc/08/83/64/139088364.db2.gz BCDOKBHCVWWWLT-BZUAXINKSA-N 2 2 325.497 1.865 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245881394 139088365 /nfs/dbraw/zinc/08/83/65/139088365.db2.gz BCDOKBHCVWWWLT-BZUAXINKSA-N 2 2 325.497 1.865 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246262839 139101565 /nfs/dbraw/zinc/10/15/65/139101565.db2.gz ZAWDSHOGALLOMN-GJZGRUSLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246262839 139101566 /nfs/dbraw/zinc/10/15/66/139101566.db2.gz ZAWDSHOGALLOMN-GJZGRUSLSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000246470311 139109815 /nfs/dbraw/zinc/10/98/15/139109815.db2.gz ZRJBASOTFYZFLN-LSTHTHJFSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000246470311 139109816 /nfs/dbraw/zinc/10/98/16/139109816.db2.gz ZRJBASOTFYZFLN-LSTHTHJFSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000246470311 139109817 /nfs/dbraw/zinc/10/98/17/139109817.db2.gz ZRJBASOTFYZFLN-LSTHTHJFSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000246470311 139109818 /nfs/dbraw/zinc/10/98/18/139109818.db2.gz ZRJBASOTFYZFLN-LSTHTHJFSA-N 2 2 329.488 1.960 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000246595636 139114302 /nfs/dbraw/zinc/11/43/02/139114302.db2.gz CWJVKHGSWFDUBQ-GDBMZVCRSA-N 2 2 330.432 1.751 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000246595636 139114303 /nfs/dbraw/zinc/11/43/03/139114303.db2.gz CWJVKHGSWFDUBQ-GDBMZVCRSA-N 2 2 330.432 1.751 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000246595636 139114304 /nfs/dbraw/zinc/11/43/04/139114304.db2.gz CWJVKHGSWFDUBQ-GDBMZVCRSA-N 2 2 330.432 1.751 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC(=O)Nc3ccccc3)CC[C@H]21 ZINC000246595636 139114305 /nfs/dbraw/zinc/11/43/05/139114305.db2.gz CWJVKHGSWFDUBQ-GDBMZVCRSA-N 2 2 330.432 1.751 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000415364593 304204831 /nfs/dbraw/zinc/20/48/31/304204831.db2.gz UOCNZSSQDXGYEC-LBPRGKRZSA-N 2 2 343.431 1.555 20 0 EDADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415384084 304210554 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C[C@@H]1C[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC[NH+]1C ZINC000248014336 139157355 /nfs/dbraw/zinc/15/73/55/139157355.db2.gz LOMZUIYYXZNBNU-GSEOLPGOSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@@H+]1C ZINC000248014336 139157356 /nfs/dbraw/zinc/15/73/56/139157356.db2.gz LOMZUIYYXZNBNU-GSEOLPGOSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1C ZINC000248014336 139157357 /nfs/dbraw/zinc/15/73/57/139157357.db2.gz LOMZUIYYXZNBNU-GSEOLPGOSA-N 2 2 331.504 1.942 20 0 EDADLP c1ccc(N2CCOCC2)c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665170 218240978 /nfs/dbraw/zinc/24/09/78/218240978.db2.gz PVBHUTZGHZDQII-SFHVURJKSA-N 2 2 345.487 1.677 20 0 EDADLP c1ccc(N2CCOCC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665170 218240981 /nfs/dbraw/zinc/24/09/81/218240981.db2.gz PVBHUTZGHZDQII-SFHVURJKSA-N 2 2 345.487 1.677 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000410810716 250379044 /nfs/dbraw/zinc/37/90/44/250379044.db2.gz POJDVFWLYGLDBD-HOTGVXAUSA-N 2 2 349.479 1.093 20 0 EDADLP Fc1cccc(-c2nc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)co2)c1 ZINC000261677863 139216613 /nfs/dbraw/zinc/21/66/13/139216613.db2.gz MKSZBYNWMUCAFV-QGZVFWFLSA-N 2 2 330.407 1.960 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261752600 139223209 /nfs/dbraw/zinc/22/32/09/139223209.db2.gz NODOMLVPWDZKNQ-GOSISDBHSA-N 2 2 335.411 1.913 20 0 EDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000261751509 139223034 /nfs/dbraw/zinc/22/30/34/139223034.db2.gz CFTFIJPORSWHPZ-SECBINFHSA-N 2 2 336.383 1.449 20 0 EDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(C(F)(F)F)s2)C1 ZINC000261751509 139223035 /nfs/dbraw/zinc/22/30/35/139223035.db2.gz CFTFIJPORSWHPZ-SECBINFHSA-N 2 2 336.383 1.449 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1)[C@H]1CCC[NH2+]1 ZINC000261785058 139225845 /nfs/dbraw/zinc/22/58/45/139225845.db2.gz YIDIHCFBTXFRFX-TZMCWYRMSA-N 2 2 333.436 1.027 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1)[C@H]1CCC[NH2+]1 ZINC000261785058 139225846 /nfs/dbraw/zinc/22/58/46/139225846.db2.gz YIDIHCFBTXFRFX-TZMCWYRMSA-N 2 2 333.436 1.027 20 0 EDADLP Cc1cc(N2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000261792835 139226406 /nfs/dbraw/zinc/22/64/06/139226406.db2.gz CYIFEQGPUSUYQN-INIZCTEOSA-N 2 2 345.491 1.947 20 0 EDADLP CCC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)C1CC[NH2+]CC1 ZINC000261840128 139230532 /nfs/dbraw/zinc/23/05/32/139230532.db2.gz YPJFQRRUHIEBOE-UHFFFAOYSA-N 2 2 339.461 1.937 20 0 EDADLP CCC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)C1CC[NH2+]CC1 ZINC000261840128 139230533 /nfs/dbraw/zinc/23/05/33/139230533.db2.gz YPJFQRRUHIEBOE-UHFFFAOYSA-N 2 2 339.461 1.937 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)O1 ZINC000261865768 139232446 /nfs/dbraw/zinc/23/24/46/139232446.db2.gz SOYIKYRSGRCALN-CVEARBPZSA-N 2 2 332.448 1.585 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000261928353 139237941 /nfs/dbraw/zinc/23/79/41/139237941.db2.gz LFGGQXIGEAURKO-KRWDZBQOSA-N 2 2 333.501 1.816 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000261928353 139237942 /nfs/dbraw/zinc/23/79/42/139237942.db2.gz LFGGQXIGEAURKO-KRWDZBQOSA-N 2 2 333.501 1.816 20 0 EDADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)O1 ZINC000261945651 139239163 /nfs/dbraw/zinc/23/91/63/139239163.db2.gz JSFPQKKNWHGIAS-CVEARBPZSA-N 2 2 328.416 1.248 20 0 EDADLP C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000262152350 139255541 /nfs/dbraw/zinc/25/55/41/139255541.db2.gz HVWQZEDJNWNSJZ-CQSZACIVSA-N 2 2 328.416 1.805 20 0 EDADLP [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CCC1 ZINC000415558210 251011041 /nfs/dbraw/zinc/01/10/41/251011041.db2.gz JKWZQDWWNAHTDN-UHFFFAOYSA-N 2 2 340.383 1.810 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000262194811 139258890 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CCN(CC)c1ccc(CNC(=O)[C@H]([NH2+]C)c2cnn(C)c2)c[nH+]1 ZINC000262361126 139273113 /nfs/dbraw/zinc/27/31/13/139273113.db2.gz KJAPLMJWVUZVMS-MRXNPFEDSA-N 2 2 330.436 1.238 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000262359957 139272997 /nfs/dbraw/zinc/27/29/97/139272997.db2.gz KFLDRNBDAUGROF-SFHVURJKSA-N 2 2 346.475 1.141 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC[C@H]1[NH3+] ZINC000417660626 251216960 /nfs/dbraw/zinc/21/69/60/251216960.db2.gz NMSOQLFLPYPUFQ-KCPJHIHWSA-N 2 2 340.418 1.946 20 0 EDADLP C[C@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417828270 251285769 /nfs/dbraw/zinc/28/57/69/251285769.db2.gz OUXHOBUBYJFVEW-FRRDWIJNSA-N 2 2 326.466 1.156 20 0 EDADLP C[C@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417828270 251285774 /nfs/dbraw/zinc/28/57/74/251285774.db2.gz OUXHOBUBYJFVEW-FRRDWIJNSA-N 2 2 326.466 1.156 20 0 EDADLP C[C@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417828271 251285903 /nfs/dbraw/zinc/28/59/03/251285903.db2.gz OUXHOBUBYJFVEW-JHJVBQTASA-N 2 2 326.466 1.156 20 0 EDADLP C[C@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417828271 251285907 /nfs/dbraw/zinc/28/59/07/251285907.db2.gz OUXHOBUBYJFVEW-JHJVBQTASA-N 2 2 326.466 1.156 20 0 EDADLP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417831151 251288621 /nfs/dbraw/zinc/28/86/21/251288621.db2.gz KEEVAULEQKVDBA-JSGCOSHPSA-N 2 2 336.386 1.399 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1c(F)cccc1F ZINC000417832567 251288820 /nfs/dbraw/zinc/28/88/20/251288820.db2.gz TVHPTEDGEJAMFM-DOTOQJQBSA-N 2 2 331.366 1.968 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417838510 251291645 /nfs/dbraw/zinc/29/16/45/251291645.db2.gz JHYUBRIMDOBPDO-WBVHZDCISA-N 2 2 341.459 1.923 20 0 EDADLP CCn1c[nH+]cc1CNc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000417816834 251283015 /nfs/dbraw/zinc/28/30/15/251283015.db2.gz CXNKILPMCWYKSY-QGZVFWFLSA-N 2 2 327.432 1.965 20 0 EDADLP CCn1c[nH+]cc1CNc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000417816834 251283020 /nfs/dbraw/zinc/28/30/20/251283020.db2.gz CXNKILPMCWYKSY-QGZVFWFLSA-N 2 2 327.432 1.965 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000418685332 251386531 /nfs/dbraw/zinc/38/65/31/251386531.db2.gz ZABYJQRYNNAYKE-QZTJIDSGSA-N 2 2 348.491 1.877 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000418685332 251386535 /nfs/dbraw/zinc/38/65/35/251386535.db2.gz ZABYJQRYNNAYKE-QZTJIDSGSA-N 2 2 348.491 1.877 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)[C@@H](C)[NH+]3CCSCC3)CC2)[nH+]c1 ZINC000152936765 224034082 /nfs/dbraw/zinc/03/40/82/224034082.db2.gz QVDTYGIXIXMZFO-OAHLLOKOSA-N 2 2 348.516 1.912 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262855993 139308314 /nfs/dbraw/zinc/30/83/14/139308314.db2.gz VWUFXPGYOZLIJE-CQSZACIVSA-N 2 2 328.420 1.435 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000153058711 224052640 /nfs/dbraw/zinc/05/26/40/224052640.db2.gz YYBVIJFCAGVEBL-CVEARBPZSA-N 2 2 327.432 1.316 20 0 EDADLP Cc1cccc([C@H](C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)N2CCOCC2)c1 ZINC000422869028 252006673 /nfs/dbraw/zinc/00/66/73/252006673.db2.gz WQXMHIXIEQSTBI-SXLOBPIMSA-N 2 2 347.503 1.725 20 0 EDADLP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(N2CCOCC2)c1 ZINC000422871014 252006991 /nfs/dbraw/zinc/00/69/91/252006991.db2.gz YJBBBLBJJJMCCI-PMACEKPBSA-N 2 2 345.487 1.688 20 0 EDADLP CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422766587 251970379 /nfs/dbraw/zinc/97/03/79/251970379.db2.gz RYDRQLBMYDQXOO-CVEARBPZSA-N 2 2 325.478 1.475 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000423008021 252026092 /nfs/dbraw/zinc/02/60/92/252026092.db2.gz ZCQBACHSQXVZQH-RWMBFGLXSA-N 2 2 332.491 1.003 20 0 EDADLP Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)n1 ZINC000423153360 252040058 /nfs/dbraw/zinc/04/00/58/252040058.db2.gz NGPJTVFVPYPULG-MPKXVKKWSA-N 2 2 343.269 1.429 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)cn2c1 ZINC000423352199 252049153 /nfs/dbraw/zinc/04/91/53/252049153.db2.gz KDHIGJVIMBECTQ-CYBMUJFWSA-N 2 2 338.415 1.763 20 0 EDADLP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1OC ZINC000423482405 252055186 /nfs/dbraw/zinc/05/51/86/252055186.db2.gz RMTQWCVDKJCTRI-GDBMZVCRSA-N 2 2 337.464 1.275 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000422910730 252019696 /nfs/dbraw/zinc/01/96/96/252019696.db2.gz RPEOUVCLPUELRO-FGTMMUONSA-N 2 2 337.508 1.914 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422910730 252019698 /nfs/dbraw/zinc/01/96/98/252019698.db2.gz RPEOUVCLPUELRO-FGTMMUONSA-N 2 2 337.508 1.914 20 0 EDADLP C[NH2+]CCCC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000423797041 252079863 /nfs/dbraw/zinc/07/98/63/252079863.db2.gz HCBOPHIAHILHPH-UHFFFAOYSA-N 2 2 335.448 1.218 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000423800161 252081189 /nfs/dbraw/zinc/08/11/89/252081189.db2.gz MIRYIJIPAIKAAB-KSSFIOAISA-N 2 2 342.443 1.910 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000153225381 224076614 /nfs/dbraw/zinc/07/66/14/224076614.db2.gz NEUBHAHIZQXGGH-INIZCTEOSA-N 2 2 343.475 1.930 20 0 EDADLP CS(=O)(=O)c1ccc(F)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424301613 252192870 /nfs/dbraw/zinc/19/28/70/252192870.db2.gz XWDNHJKPZCGTFW-CHWSQXEVSA-N 2 2 343.424 1.027 20 0 EDADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000424465022 252237728 /nfs/dbraw/zinc/23/77/28/252237728.db2.gz JESGWFCQZKNVIF-OAHLLOKOSA-N 2 2 341.415 1.393 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425054929 252295629 /nfs/dbraw/zinc/29/56/29/252295629.db2.gz GCPZUWWNTZUUFA-DLBZAZTESA-N 2 2 345.491 1.185 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425054929 252295633 /nfs/dbraw/zinc/29/56/33/252295633.db2.gz GCPZUWWNTZUUFA-DLBZAZTESA-N 2 2 345.491 1.185 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC000426136993 252315821 /nfs/dbraw/zinc/31/58/21/252315821.db2.gz MZTBKVBIKFJQIY-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC000426136993 252315823 /nfs/dbraw/zinc/31/58/23/252315823.db2.gz MZTBKVBIKFJQIY-AEFFLSMTSA-N 2 2 331.460 1.034 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415663618 304251405 /nfs/dbraw/zinc/25/14/05/304251405.db2.gz YVSMFDADIHLMKK-CYBMUJFWSA-N 2 2 342.399 1.927 20 0 EDADLP C[C@H](C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)N1CC[NH+](C)CC1 ZINC000112512042 220341777 /nfs/dbraw/zinc/34/17/77/220341777.db2.gz NQJLIRWBBSDUIV-CQSZACIVSA-N 2 2 327.432 1.662 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)sc2n1 ZINC000263649184 139349717 /nfs/dbraw/zinc/34/97/17/139349717.db2.gz BHSZWNJAGTZEBN-UHFFFAOYSA-N 2 2 335.477 1.764 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)sc2n1 ZINC000263649184 139349718 /nfs/dbraw/zinc/34/97/18/139349718.db2.gz BHSZWNJAGTZEBN-UHFFFAOYSA-N 2 2 335.477 1.764 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000450866912 254696263 /nfs/dbraw/zinc/69/62/63/254696263.db2.gz YWALENCBBUYIAL-CVEARBPZSA-N 2 2 333.480 1.748 20 0 EDADLP C[N@H+](CC(=O)N1CCOCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000487513787 255030868 /nfs/dbraw/zinc/03/08/68/255030868.db2.gz ALDBAGDLFUTETG-UHFFFAOYSA-N 2 2 337.386 1.194 20 0 EDADLP C[N@@H+](CC(=O)N1CCOCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000487513787 255030870 /nfs/dbraw/zinc/03/08/70/255030870.db2.gz ALDBAGDLFUTETG-UHFFFAOYSA-N 2 2 337.386 1.194 20 0 EDADLP C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000488746369 255052282 /nfs/dbraw/zinc/05/22/82/255052282.db2.gz CJMFOIKQLQTBAE-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000488746369 255052284 /nfs/dbraw/zinc/05/22/84/255052284.db2.gz CJMFOIKQLQTBAE-GOEBONIOSA-N 2 2 337.489 1.095 20 0 EDADLP Cc1nc(N(CC[NH+](C)C)Cc2ccc(F)cc2)nc(N(C)C)[nH+]1 ZINC000490118835 255079924 /nfs/dbraw/zinc/07/99/24/255079924.db2.gz IWLCNIUSFCBVHC-UHFFFAOYSA-N 2 2 332.427 1.953 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C(C)C)C(C)C)CCO1 ZINC000492191939 255161663 /nfs/dbraw/zinc/16/16/63/255161663.db2.gz CRHMGHRNPGKBQX-MRXNPFEDSA-N 2 2 328.501 1.515 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C(C)C)C(C)C)CCO1 ZINC000492191939 255161664 /nfs/dbraw/zinc/16/16/64/255161664.db2.gz CRHMGHRNPGKBQX-MRXNPFEDSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)/C=C/c3[nH]cc[nH+]3)c2)CCO1 ZINC000493526683 255213490 /nfs/dbraw/zinc/21/34/90/255213490.db2.gz VUTDGWURYXSEQA-LLYBFZRZSA-N 2 2 340.427 1.960 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)/C=C/c3[nH]cc[nH+]3)c2)CCO1 ZINC000493526683 255213491 /nfs/dbraw/zinc/21/34/91/255213491.db2.gz VUTDGWURYXSEQA-LLYBFZRZSA-N 2 2 340.427 1.960 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000493166627 255194139 /nfs/dbraw/zinc/19/41/39/255194139.db2.gz ZGXPJXUDIUESET-VOTSOKGWSA-N 2 2 326.400 1.646 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000495434067 255284608 /nfs/dbraw/zinc/28/46/08/255284608.db2.gz MGRADKJCKCLCTJ-OAHLLOKOSA-N 2 2 341.496 1.944 20 0 EDADLP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000495434067 255284609 /nfs/dbraw/zinc/28/46/09/255284609.db2.gz MGRADKJCKCLCTJ-OAHLLOKOSA-N 2 2 341.496 1.944 20 0 EDADLP CN1C[C@@H](C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)OC1=O ZINC000495793266 255326571 /nfs/dbraw/zinc/32/65/71/255326571.db2.gz IPLSATDSVABSQE-QGZVFWFLSA-N 2 2 332.448 1.471 20 0 EDADLP CN1C[C@@H](C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)OC1=O ZINC000495793266 255326572 /nfs/dbraw/zinc/32/65/72/255326572.db2.gz IPLSATDSVABSQE-QGZVFWFLSA-N 2 2 332.448 1.471 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496211533 255364778 /nfs/dbraw/zinc/36/47/78/255364778.db2.gz GAHNQXRFYUKOBH-HZPDHXFCSA-N 2 2 341.496 1.678 20 0 EDADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496211533 255364779 /nfs/dbraw/zinc/36/47/79/255364779.db2.gz GAHNQXRFYUKOBH-HZPDHXFCSA-N 2 2 341.496 1.678 20 0 EDADLP CN(C[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2)C(=O)OC(C)(C)C ZINC000496115353 255354214 /nfs/dbraw/zinc/35/42/14/255354214.db2.gz PKIBMXKOGJTERC-CQSZACIVSA-N 2 2 338.452 1.537 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851954 255331410 /nfs/dbraw/zinc/33/14/10/255331410.db2.gz SYFUGFXHQABBMV-HZPDHXFCSA-N 2 2 341.496 1.821 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851954 255331411 /nfs/dbraw/zinc/33/14/11/255331411.db2.gz SYFUGFXHQABBMV-HZPDHXFCSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851954 255331412 /nfs/dbraw/zinc/33/14/12/255331412.db2.gz SYFUGFXHQABBMV-HZPDHXFCSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)C1CC1 ZINC000495851954 255331413 /nfs/dbraw/zinc/33/14/13/255331413.db2.gz SYFUGFXHQABBMV-HZPDHXFCSA-N 2 2 341.496 1.821 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@@H]3CN(C)C(=O)O3)CC2)nc(C(C)C)[nH+]1 ZINC000496307001 255378600 /nfs/dbraw/zinc/37/86/00/255378600.db2.gz KRCYFZCFPBNSPX-AWEZNQCLSA-N 2 2 333.436 1.481 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000341771911 285304235 /nfs/dbraw/zinc/30/42/35/285304235.db2.gz JOSFPPCTJBWVJV-NXOAAHMSSA-N 2 2 325.497 1.673 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000341771911 285304238 /nfs/dbraw/zinc/30/42/38/285304238.db2.gz JOSFPPCTJBWVJV-NXOAAHMSSA-N 2 2 325.497 1.673 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000341771911 285304243 /nfs/dbraw/zinc/30/42/43/285304243.db2.gz JOSFPPCTJBWVJV-NXOAAHMSSA-N 2 2 325.497 1.673 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000341771911 285304250 /nfs/dbraw/zinc/30/42/50/285304250.db2.gz JOSFPPCTJBWVJV-NXOAAHMSSA-N 2 2 325.497 1.673 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000119040637 221229867 /nfs/dbraw/zinc/22/98/67/221229867.db2.gz MUFYXKRBPBUWFJ-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000119040637 221229870 /nfs/dbraw/zinc/22/98/70/221229870.db2.gz MUFYXKRBPBUWFJ-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000264084464 139379899 /nfs/dbraw/zinc/37/98/99/139379899.db2.gz JMFMLHCYOLAXHH-MRXNPFEDSA-N 2 2 332.448 1.409 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000264084464 139379900 /nfs/dbraw/zinc/37/99/00/139379900.db2.gz JMFMLHCYOLAXHH-MRXNPFEDSA-N 2 2 332.448 1.409 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000119351941 221301128 /nfs/dbraw/zinc/30/11/28/221301128.db2.gz CDNDMKUMLQUBJU-ZFWWWQNUSA-N 2 2 331.464 1.686 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000119351941 221301136 /nfs/dbraw/zinc/30/11/36/221301136.db2.gz CDNDMKUMLQUBJU-ZFWWWQNUSA-N 2 2 331.464 1.686 20 0 EDADLP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000271440267 140296066 /nfs/dbraw/zinc/29/60/66/140296066.db2.gz RTRJQHWAZYYWGP-YZGWKJHDSA-N 2 2 329.488 1.913 20 0 EDADLP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000271440267 140296068 /nfs/dbraw/zinc/29/60/68/140296068.db2.gz RTRJQHWAZYYWGP-YZGWKJHDSA-N 2 2 329.488 1.913 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@H+]3CCCC[C@H]3C)ccc2[nH+]1 ZINC000271545439 140309390 /nfs/dbraw/zinc/30/93/90/140309390.db2.gz IQOKSPIKTSAWFM-CQSZACIVSA-N 2 2 343.431 1.572 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NCC[N@@H+]3CCCC[C@H]3C)ccc2[nH+]1 ZINC000271545439 140309392 /nfs/dbraw/zinc/30/93/92/140309392.db2.gz IQOKSPIKTSAWFM-CQSZACIVSA-N 2 2 343.431 1.572 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCNC(=O)c2ccco2)CC1 ZINC000271859246 140362056 /nfs/dbraw/zinc/36/20/56/140362056.db2.gz YFBGWTZRUGLLKP-UHFFFAOYSA-N 2 2 337.420 1.017 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@H]1[NH3+] ZINC000331521456 141042479 /nfs/dbraw/zinc/04/24/79/141042479.db2.gz JQLNAGGBHAQCCA-GOEBONIOSA-N 2 2 331.464 1.951 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000331897069 141095190 /nfs/dbraw/zinc/09/51/90/141095190.db2.gz UYLYWZISWFUZJH-CQSZACIVSA-N 2 2 333.436 1.489 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH+](C)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000331989645 141107382 /nfs/dbraw/zinc/10/73/82/141107382.db2.gz AJPLFWIPLNWPEG-HUUCEWRRSA-N 2 2 347.463 1.152 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)[nH+]1 ZINC000332102152 141123480 /nfs/dbraw/zinc/12/34/80/141123480.db2.gz CSBFFURAEZRAJD-CQSZACIVSA-N 2 2 332.452 1.102 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[C@H]1C ZINC000332445437 141183173 /nfs/dbraw/zinc/18/31/73/141183173.db2.gz SKHNHOWGTIPYFS-ILXRZTDVSA-N 2 2 347.463 1.057 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[C@H]1C ZINC000332445437 141183174 /nfs/dbraw/zinc/18/31/74/141183174.db2.gz SKHNHOWGTIPYFS-ILXRZTDVSA-N 2 2 347.463 1.057 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000332929430 141245201 /nfs/dbraw/zinc/24/52/01/141245201.db2.gz ARWTWEFARBVZTH-LSDHHAIUSA-N 2 2 342.447 1.827 20 0 EDADLP C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000333067193 141258153 /nfs/dbraw/zinc/25/81/53/141258153.db2.gz AMLABLLSEHCKIG-KGLIPLIRSA-N 2 2 345.447 1.339 20 0 EDADLP C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000333067193 141258154 /nfs/dbraw/zinc/25/81/54/141258154.db2.gz AMLABLLSEHCKIG-KGLIPLIRSA-N 2 2 345.447 1.339 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC(Cc3[nH]cc[nH+]3)CC1)C2 ZINC000333423660 141315798 /nfs/dbraw/zinc/31/57/98/141315798.db2.gz JPGMGUZQKZZOBV-OAHLLOKOSA-N 2 2 327.432 1.958 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000333510814 141329240 /nfs/dbraw/zinc/32/92/40/141329240.db2.gz FJSBHDOYVRCUIG-HOTGVXAUSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000333510814 141329242 /nfs/dbraw/zinc/32/92/42/141329242.db2.gz FJSBHDOYVRCUIG-HOTGVXAUSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000333562764 141337270 /nfs/dbraw/zinc/33/72/70/141337270.db2.gz LMYHYHWDLUUQCE-XFBWCDHKSA-N 2 2 338.402 1.700 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000333562764 141337271 /nfs/dbraw/zinc/33/72/71/141337271.db2.gz LMYHYHWDLUUQCE-XFBWCDHKSA-N 2 2 338.402 1.700 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000333645321 141349658 /nfs/dbraw/zinc/34/96/58/141349658.db2.gz IXYJJALTLGPPOJ-ZIAGYGMSSA-N 2 2 337.493 1.630 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000333645321 141349660 /nfs/dbraw/zinc/34/96/60/141349660.db2.gz IXYJJALTLGPPOJ-ZIAGYGMSSA-N 2 2 337.493 1.630 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn21 ZINC000333692344 141359041 /nfs/dbraw/zinc/35/90/41/141359041.db2.gz COOQLBMQMZCVPK-QLFBSQMISA-N 2 2 327.432 1.830 20 0 EDADLP Cc1nc(N2CCN(C(=O)c3ccc(C[NH+](C)C)nc3)CC2)cc[nH+]1 ZINC000339341396 142021918 /nfs/dbraw/zinc/02/19/18/142021918.db2.gz BBJIZXXLVSFSBH-UHFFFAOYSA-N 2 2 340.431 1.204 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000339656418 142109538 /nfs/dbraw/zinc/10/95/38/142109538.db2.gz CQJUMHPFLRSIFI-MRXNPFEDSA-N 2 2 337.851 1.567 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000339656418 142109540 /nfs/dbraw/zinc/10/95/40/142109540.db2.gz CQJUMHPFLRSIFI-MRXNPFEDSA-N 2 2 337.851 1.567 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000340001822 142230971 /nfs/dbraw/zinc/23/09/71/142230971.db2.gz BXZNODAAUXYGPN-UHFFFAOYSA-N 2 2 333.461 1.780 20 0 EDADLP O[C@H](C[NH2+][C@H]1COc2ccccc2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000340173759 142291973 /nfs/dbraw/zinc/29/19/73/142291973.db2.gz VWRITMNCFOSGEA-WOJBJXKFSA-N 2 2 338.451 1.999 20 0 EDADLP O[C@H](C[NH2+][C@H]1COc2ccccc2C1)C[N@H+]1CCc2ccccc2C1 ZINC000340173759 142291974 /nfs/dbraw/zinc/29/19/74/142291974.db2.gz VWRITMNCFOSGEA-WOJBJXKFSA-N 2 2 338.451 1.999 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3cccc(F)c32)CC1 ZINC000340251761 142319957 /nfs/dbraw/zinc/31/99/57/142319957.db2.gz IXRFJVWARWQSHV-UHFFFAOYSA-N 2 2 334.439 1.924 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000345636625 143114993 /nfs/dbraw/zinc/11/49/93/143114993.db2.gz JFZZNVJNNSGYCS-UHFFFAOYSA-N 2 2 338.415 1.910 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCCS1 ZINC000345674895 143119952 /nfs/dbraw/zinc/11/99/52/143119952.db2.gz ULQRDNDHGLVTFF-INIZCTEOSA-N 2 2 342.553 1.940 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCCS1 ZINC000345674895 143119953 /nfs/dbraw/zinc/11/99/53/143119953.db2.gz ULQRDNDHGLVTFF-INIZCTEOSA-N 2 2 342.553 1.940 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1cccc(F)c1 ZINC000345699115 143123037 /nfs/dbraw/zinc/12/30/37/143123037.db2.gz TWSFYVZEWHHOML-DGCLKSJQSA-N 2 2 326.322 1.747 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(F)(F)C3)CC2)CC1 ZINC000345805091 143135472 /nfs/dbraw/zinc/13/54/72/143135472.db2.gz OPDCYGAJQJJORS-UHFFFAOYSA-N 2 2 330.423 1.596 20 0 EDADLP Cc1nc(CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)o1 ZINC000345809942 143135777 /nfs/dbraw/zinc/13/57/77/143135777.db2.gz SAEVHCMSLCZSGN-UHFFFAOYSA-N 2 2 337.468 1.159 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)NCc1ccco1 ZINC000346141769 143171910 /nfs/dbraw/zinc/17/19/10/143171910.db2.gz RIKPDKBFZYPRJT-UHFFFAOYSA-N 2 2 328.416 1.545 20 0 EDADLP OC[C@H]1C[C@H](F)C[N@@H+]1Cc1ccccc1C[NH+]1C[C@@H](F)C[C@H]1CO ZINC000346403840 143201222 /nfs/dbraw/zinc/20/12/22/143201222.db2.gz LNRZHXNZZFRVDM-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP OC[C@H]1C[C@H](F)C[N@H+]1Cc1ccccc1C[NH+]1C[C@@H](F)C[C@H]1CO ZINC000346403840 143201223 /nfs/dbraw/zinc/20/12/23/143201223.db2.gz LNRZHXNZZFRVDM-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP OC[C@H]1C[C@H](F)C[NH+]1Cc1ccccc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000346403840 143201224 /nfs/dbraw/zinc/20/12/24/143201224.db2.gz LNRZHXNZZFRVDM-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP OC[C@H]1C[C@H](F)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000346403840 143201225 /nfs/dbraw/zinc/20/12/25/143201225.db2.gz LNRZHXNZZFRVDM-XLAORIBOSA-N 2 2 340.414 1.496 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000346547215 143215573 /nfs/dbraw/zinc/21/55/73/143215573.db2.gz VQCQWKCRLVXJKR-HZPDHXFCSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCOCC1 ZINC000346547215 143215574 /nfs/dbraw/zinc/21/55/74/143215574.db2.gz VQCQWKCRLVXJKR-HZPDHXFCSA-N 2 2 331.460 1.270 20 0 EDADLP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1nnc2ccccn21 ZINC000346776982 143244698 /nfs/dbraw/zinc/24/46/98/143244698.db2.gz YRYAKBAAJYBEIN-ZDUSSCGKSA-N 2 2 342.447 1.123 20 0 EDADLP CCOCC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346914248 143260072 /nfs/dbraw/zinc/26/00/72/143260072.db2.gz FPAPHFJJTAAGBD-XYJFISCASA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346914248 143260073 /nfs/dbraw/zinc/26/00/73/143260073.db2.gz FPAPHFJJTAAGBD-XYJFISCASA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346914248 143260074 /nfs/dbraw/zinc/26/00/74/143260074.db2.gz FPAPHFJJTAAGBD-XYJFISCASA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346914248 143260075 /nfs/dbraw/zinc/26/00/75/143260075.db2.gz FPAPHFJJTAAGBD-XYJFISCASA-N 2 2 338.496 1.522 20 0 EDADLP O[C@@H](Cc1cccc(Cl)c1)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000347057942 143277352 /nfs/dbraw/zinc/27/73/52/143277352.db2.gz QKBASAXSRMMRCF-INIZCTEOSA-N 2 2 334.851 1.784 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)C1 ZINC000347145553 143287426 /nfs/dbraw/zinc/28/74/26/143287426.db2.gz LGSNUSDHALKYAP-ZQIUZPCESA-N 2 2 339.505 1.928 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C)C1 ZINC000347145553 143287427 /nfs/dbraw/zinc/28/74/27/143287427.db2.gz LGSNUSDHALKYAP-ZQIUZPCESA-N 2 2 339.505 1.928 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000347712825 143352986 /nfs/dbraw/zinc/35/29/86/143352986.db2.gz BXGGERSOINMGFV-RDJZCZTQSA-N 2 2 349.475 1.382 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347791182 143363539 /nfs/dbraw/zinc/36/35/39/143363539.db2.gz UQQOLIBRAZWJAU-CQSZACIVSA-N 3 2 340.537 1.729 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347791182 143363540 /nfs/dbraw/zinc/36/35/40/143363540.db2.gz UQQOLIBRAZWJAU-CQSZACIVSA-N 3 2 340.537 1.729 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000348019443 143391892 /nfs/dbraw/zinc/39/18/92/143391892.db2.gz YKMFJLAJHNLHBV-HXUWFJFHSA-N 2 2 346.519 1.913 20 0 EDADLP CCOC1(C)CC[NH+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000497309226 286003454 /nfs/dbraw/zinc/00/34/54/286003454.db2.gz YSJLSVKPLBKJHA-SFHVURJKSA-N 2 2 337.464 1.752 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)CCc3c[nH+]cn3C)C2)nc(C)[nH+]1 ZINC000369861387 155208095 /nfs/dbraw/zinc/20/80/95/155208095.db2.gz GLAWAOJQYXVLEV-HNNXBMFYSA-N 2 2 342.447 1.545 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416865349 304352999 /nfs/dbraw/zinc/35/29/99/304352999.db2.gz PSHYGUUYHYIGKU-QGZVFWFLSA-N 2 2 334.464 1.301 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000416895644 304353976 /nfs/dbraw/zinc/35/39/76/304353976.db2.gz UEWHMMYDNSGNMM-SJORKVTESA-N 2 2 332.448 1.096 20 0 EDADLP COc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352778975 149163119 /nfs/dbraw/zinc/16/31/19/149163119.db2.gz MUBZFEQYAVMXPG-INIZCTEOSA-N 2 2 348.491 1.592 20 0 EDADLP COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352778975 149163121 /nfs/dbraw/zinc/16/31/21/149163121.db2.gz MUBZFEQYAVMXPG-INIZCTEOSA-N 2 2 348.491 1.592 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000352819946 149180229 /nfs/dbraw/zinc/18/02/29/149180229.db2.gz OVDCBJRBAUARDC-NUJGCVRESA-N 2 2 348.491 1.616 20 0 EDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000352819946 149180231 /nfs/dbraw/zinc/18/02/31/149180231.db2.gz OVDCBJRBAUARDC-NUJGCVRESA-N 2 2 348.491 1.616 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000416963544 304355978 /nfs/dbraw/zinc/35/59/78/304355978.db2.gz VGGADAXXCUDTNK-GDBMZVCRSA-N 2 2 327.432 1.605 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C1CCCC1 ZINC000416971821 304357844 /nfs/dbraw/zinc/35/78/44/304357844.db2.gz FCHYNVUYOSPNIO-INIZCTEOSA-N 2 2 347.463 1.235 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000416978975 304359981 /nfs/dbraw/zinc/35/99/81/304359981.db2.gz GSKYGQTWRZAYFL-HOCLYGCPSA-N 2 2 347.463 1.330 20 0 EDADLP CCC([NH3+])(CC)CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000416979604 304360608 /nfs/dbraw/zinc/36/06/08/304360608.db2.gz FEOXOMBGBFVHHL-CQSZACIVSA-N 2 2 349.479 1.623 20 0 EDADLP C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354951422 150051547 /nfs/dbraw/zinc/05/15/47/150051547.db2.gz OSXDZXIMPSHDDR-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354951422 150051551 /nfs/dbraw/zinc/05/15/51/150051551.db2.gz OSXDZXIMPSHDDR-SJLPKXTDSA-N 2 2 337.508 1.963 20 0 EDADLP Cc1cnn(CCC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000354972476 150060482 /nfs/dbraw/zinc/06/04/82/150060482.db2.gz DKULNCGOVAKRDY-INIZCTEOSA-N 2 2 333.480 1.209 20 0 EDADLP Cc1cnn(CCC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000354972476 150060484 /nfs/dbraw/zinc/06/04/84/150060484.db2.gz DKULNCGOVAKRDY-INIZCTEOSA-N 2 2 333.480 1.209 20 0 EDADLP CC(C)c1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n(C)n1 ZINC000354987930 150066984 /nfs/dbraw/zinc/06/69/84/150066984.db2.gz SODYZEAVUVUEAY-OAHLLOKOSA-N 2 2 347.507 1.784 20 0 EDADLP CC(C)c1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n(C)n1 ZINC000354987930 150066985 /nfs/dbraw/zinc/06/69/85/150066985.db2.gz SODYZEAVUVUEAY-OAHLLOKOSA-N 2 2 347.507 1.784 20 0 EDADLP CC(C)[C@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000355082821 150107707 /nfs/dbraw/zinc/10/77/07/150107707.db2.gz IALOWKDBQLENAW-QZTJIDSGSA-N 2 2 333.476 1.762 20 0 EDADLP CC(C)[C@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000355082821 150107710 /nfs/dbraw/zinc/10/77/10/150107710.db2.gz IALOWKDBQLENAW-QZTJIDSGSA-N 2 2 333.476 1.762 20 0 EDADLP COCC[C@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355109911 150120593 /nfs/dbraw/zinc/12/05/93/150120593.db2.gz PXGMZNYSIATPMA-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP COCC[C@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355109911 150120595 /nfs/dbraw/zinc/12/05/95/150120595.db2.gz PXGMZNYSIATPMA-GJZGRUSLSA-N 2 2 326.485 1.221 20 0 EDADLP COCC[N@H+]1CC[C@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000355123762 150127615 /nfs/dbraw/zinc/12/76/15/150127615.db2.gz BAFYODLDCLGKNL-AWEZNQCLSA-N 2 2 345.285 1.736 20 0 EDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCCn2cc(Br)cn2)C1 ZINC000355123762 150127614 /nfs/dbraw/zinc/12/76/14/150127614.db2.gz BAFYODLDCLGKNL-AWEZNQCLSA-N 2 2 345.285 1.736 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000355780810 150398604 /nfs/dbraw/zinc/39/86/04/150398604.db2.gz DDYDZQOUEXQVTA-UHFFFAOYSA-N 2 2 342.528 1.857 20 0 EDADLP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417037451 304364488 /nfs/dbraw/zinc/36/44/88/304364488.db2.gz TZVXDDUDMOPENT-WMLDXEAASA-N 2 2 334.464 1.269 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357087885 150919126 /nfs/dbraw/zinc/91/91/26/150919126.db2.gz SMEFJCJXYFMRRT-CWRNSKLLSA-N 2 2 347.459 1.250 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357087885 150919127 /nfs/dbraw/zinc/91/91/27/150919127.db2.gz SMEFJCJXYFMRRT-CWRNSKLLSA-N 2 2 347.459 1.250 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000357602232 151081482 /nfs/dbraw/zinc/08/14/82/151081482.db2.gz GQFLTJCHMLRYIQ-CYBMUJFWSA-N 2 2 342.399 1.879 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357646084 151099819 /nfs/dbraw/zinc/09/98/19/151099819.db2.gz KBFBIFNPTQSYSL-LJQANCHMSA-N 2 2 345.487 1.569 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357646084 151099823 /nfs/dbraw/zinc/09/98/23/151099823.db2.gz KBFBIFNPTQSYSL-LJQANCHMSA-N 2 2 345.487 1.569 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000357781440 151149899 /nfs/dbraw/zinc/14/98/99/151149899.db2.gz BLVYZPGLAFJGDD-HOCLYGCPSA-N 2 2 337.468 1.356 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000357781440 151149900 /nfs/dbraw/zinc/14/99/00/151149900.db2.gz BLVYZPGLAFJGDD-HOCLYGCPSA-N 2 2 337.468 1.356 20 0 EDADLP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)NCC(=O)c1ccccc1 ZINC000358040526 151244885 /nfs/dbraw/zinc/24/48/85/151244885.db2.gz JJDCIWVMCKOCDJ-UHFFFAOYSA-N 2 2 343.471 1.936 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358094949 151268003 /nfs/dbraw/zinc/26/80/03/151268003.db2.gz HFDFVUBOGAPDFR-YOEHRIQHSA-N 2 2 339.505 1.554 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358094949 151268004 /nfs/dbraw/zinc/26/80/04/151268004.db2.gz HFDFVUBOGAPDFR-YOEHRIQHSA-N 2 2 339.505 1.554 20 0 EDADLP C[C@H](CCC1CCCC1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358154179 151289635 /nfs/dbraw/zinc/28/96/35/151289635.db2.gz NGCWGBPNIUEZSD-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP CC(=O)Nc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000360529835 152082347 /nfs/dbraw/zinc/08/23/47/152082347.db2.gz RWJYCZXHHDYQAE-UHFFFAOYSA-N 2 2 347.463 1.138 20 0 EDADLP CC(=O)Nc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1 ZINC000360529835 152082350 /nfs/dbraw/zinc/08/23/50/152082350.db2.gz RWJYCZXHHDYQAE-UHFFFAOYSA-N 2 2 347.463 1.138 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000360548635 152089975 /nfs/dbraw/zinc/08/99/75/152089975.db2.gz UXLDENKFJNBEQS-GOSISDBHSA-N 2 2 333.501 1.970 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000360548635 152089979 /nfs/dbraw/zinc/08/99/79/152089979.db2.gz UXLDENKFJNBEQS-GOSISDBHSA-N 2 2 333.501 1.970 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCc1ccc(OC(F)F)cc1 ZINC000360563072 152097740 /nfs/dbraw/zinc/09/77/40/152097740.db2.gz NLQYAZJBWBYUFF-QGZVFWFLSA-N 2 2 339.386 1.590 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCc1ccc(OC(F)F)cc1 ZINC000360563072 152097742 /nfs/dbraw/zinc/09/77/42/152097742.db2.gz NLQYAZJBWBYUFF-QGZVFWFLSA-N 2 2 339.386 1.590 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC[NH+]1CCO[C@H](CC)C1 ZINC000360804998 152213111 /nfs/dbraw/zinc/21/31/11/152213111.db2.gz ZHLZUSAJNVPCKG-JKSUJKDBSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC[NH+]1CCO[C@H](CC)C1 ZINC000360804998 152213112 /nfs/dbraw/zinc/21/31/12/152213112.db2.gz ZHLZUSAJNVPCKG-JKSUJKDBSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000360804998 152213114 /nfs/dbraw/zinc/21/31/14/152213114.db2.gz ZHLZUSAJNVPCKG-JKSUJKDBSA-N 2 2 328.501 1.517 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000360804998 152213117 /nfs/dbraw/zinc/21/31/17/152213117.db2.gz ZHLZUSAJNVPCKG-JKSUJKDBSA-N 2 2 328.501 1.517 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccccc2-n2cccn2)CC1 ZINC000360894134 152244258 /nfs/dbraw/zinc/24/42/58/152244258.db2.gz MFHAYKKXGFUHLY-UHFFFAOYSA-N 2 2 341.459 1.628 20 0 EDADLP CC(C)c1cc(N2CCN(Cc3[nH+]ccn3C)CC2)nc(N(C)C)[nH+]1 ZINC000361011017 152278670 /nfs/dbraw/zinc/27/86/70/152278670.db2.gz RLPVMSMSQFUQBH-UHFFFAOYSA-N 2 2 343.479 1.722 20 0 EDADLP CCCNC(=O)NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361061575 152293034 /nfs/dbraw/zinc/29/30/34/152293034.db2.gz IIMZAVRVNWOGQC-UHFFFAOYSA-N 2 2 335.452 1.611 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000361189417 152329890 /nfs/dbraw/zinc/32/98/90/152329890.db2.gz IFAHAEWJCRIJFN-JLSDUUJJSA-N 2 2 348.466 1.323 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000361189417 152329894 /nfs/dbraw/zinc/32/98/94/152329894.db2.gz IFAHAEWJCRIJFN-JLSDUUJJSA-N 2 2 348.466 1.323 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000361340479 152365505 /nfs/dbraw/zinc/36/55/05/152365505.db2.gz DZMNYUQYSVMHPW-YSIASYRMSA-N 2 2 331.504 1.860 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000361340479 152365506 /nfs/dbraw/zinc/36/55/06/152365506.db2.gz DZMNYUQYSVMHPW-YSIASYRMSA-N 2 2 331.504 1.860 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3(C)C)CC2)c1 ZINC000361413375 152387380 /nfs/dbraw/zinc/38/73/80/152387380.db2.gz CULBDIAZJPEADH-GOSISDBHSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3(C)C)CC2)c1 ZINC000361413375 152387381 /nfs/dbraw/zinc/38/73/81/152387381.db2.gz CULBDIAZJPEADH-GOSISDBHSA-N 2 2 345.487 1.484 20 0 EDADLP Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000361443373 152397639 /nfs/dbraw/zinc/39/76/39/152397639.db2.gz RNVJKTPMVHGPIH-HZPDHXFCSA-N 2 2 334.443 1.551 20 0 EDADLP Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000361443373 152397640 /nfs/dbraw/zinc/39/76/40/152397640.db2.gz RNVJKTPMVHGPIH-HZPDHXFCSA-N 2 2 334.443 1.551 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000361443373 152397643 /nfs/dbraw/zinc/39/76/43/152397643.db2.gz RNVJKTPMVHGPIH-HZPDHXFCSA-N 3 2 334.443 1.551 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000361443373 152397645 /nfs/dbraw/zinc/39/76/45/152397645.db2.gz RNVJKTPMVHGPIH-HZPDHXFCSA-N 3 2 334.443 1.551 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])[NH+]2CCOCC2)cc1 ZINC000417177724 304380554 /nfs/dbraw/zinc/38/05/54/304380554.db2.gz LRDYDDXCOXQHFU-FUHWJXTLSA-N 2 2 348.491 1.795 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H](C)CCC[NH3+])[NH+]2CCOCC2)cc1 ZINC000417177723 304380625 /nfs/dbraw/zinc/38/06/25/304380625.db2.gz LRDYDDXCOXQHFU-AEFFLSMTSA-N 2 2 348.491 1.795 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cn2)CC1 ZINC000363692731 153031866 /nfs/dbraw/zinc/03/18/66/153031866.db2.gz JBGAXZXKQUUVFP-AWEZNQCLSA-N 2 2 340.431 1.231 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C1 ZINC000363766187 153051197 /nfs/dbraw/zinc/05/11/97/153051197.db2.gz OSODSDFGPZIZJI-HNNXBMFYSA-N 2 2 329.448 1.882 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C1 ZINC000363766187 153051198 /nfs/dbraw/zinc/05/11/98/153051198.db2.gz OSODSDFGPZIZJI-HNNXBMFYSA-N 2 2 329.448 1.882 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000417186214 304382177 /nfs/dbraw/zinc/38/21/77/304382177.db2.gz UXBAIRLBXNGGLP-NVXWUHKLSA-N 2 2 334.464 1.405 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000363905312 153091762 /nfs/dbraw/zinc/09/17/62/153091762.db2.gz NWVPQIFVIGKMGZ-OAHLLOKOSA-N 2 2 348.422 1.049 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000363905312 153091764 /nfs/dbraw/zinc/09/17/64/153091764.db2.gz NWVPQIFVIGKMGZ-OAHLLOKOSA-N 2 2 348.422 1.049 20 0 EDADLP c1c(CCNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)[nH+]c2n1CCCC2 ZINC000363922234 153097615 /nfs/dbraw/zinc/09/76/15/153097615.db2.gz HBOBZHNYDQXUQU-OAHLLOKOSA-N 2 2 342.447 1.099 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363957660 153107589 /nfs/dbraw/zinc/10/75/89/153107589.db2.gz CUIIOWXLWKDIQL-WMLDXEAASA-N 2 2 343.475 1.832 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000363957660 153107590 /nfs/dbraw/zinc/10/75/90/153107590.db2.gz CUIIOWXLWKDIQL-WMLDXEAASA-N 2 2 343.475 1.832 20 0 EDADLP CN(C(=O)c1cn2ccnc2s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364148484 153155602 /nfs/dbraw/zinc/15/56/02/153155602.db2.gz PACKFLFDWJCVMJ-AWEZNQCLSA-N 2 2 347.488 1.636 20 0 EDADLP CN(C(=O)c1cn2ccnc2s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364148484 153155603 /nfs/dbraw/zinc/15/56/03/153155603.db2.gz PACKFLFDWJCVMJ-AWEZNQCLSA-N 2 2 347.488 1.636 20 0 EDADLP Cc1cnn(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364285197 153195896 /nfs/dbraw/zinc/19/58/96/153195896.db2.gz ACCJBWHECYMNQK-QGZVFWFLSA-N 2 2 348.495 1.001 20 0 EDADLP Cc1cnn(CCNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364285197 153195899 /nfs/dbraw/zinc/19/58/99/153195899.db2.gz ACCJBWHECYMNQK-QGZVFWFLSA-N 2 2 348.495 1.001 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000364359862 153216133 /nfs/dbraw/zinc/21/61/33/153216133.db2.gz UVCDBRSNQUBTDR-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000364359862 153216135 /nfs/dbraw/zinc/21/61/35/153216135.db2.gz UVCDBRSNQUBTDR-SJLPKXTDSA-N 2 2 331.460 1.440 20 0 EDADLP CCN(C)C(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364708212 153309575 /nfs/dbraw/zinc/30/95/75/153309575.db2.gz RRHVJKPQAWKUGD-QFBILLFUSA-N 2 2 349.523 1.993 20 0 EDADLP CCN(C)C(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000364708212 153309578 /nfs/dbraw/zinc/30/95/78/153309578.db2.gz RRHVJKPQAWKUGD-QFBILLFUSA-N 2 2 349.523 1.993 20 0 EDADLP CCN(C)C(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364708212 153309579 /nfs/dbraw/zinc/30/95/79/153309579.db2.gz RRHVJKPQAWKUGD-QFBILLFUSA-N 2 2 349.523 1.993 20 0 EDADLP CCN(C)C(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000364708212 153309583 /nfs/dbraw/zinc/30/95/83/153309583.db2.gz RRHVJKPQAWKUGD-QFBILLFUSA-N 2 2 349.523 1.993 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000364787767 153334505 /nfs/dbraw/zinc/33/45/05/153334505.db2.gz IBEVYXYIZNLAPS-UHFFFAOYSA-N 2 2 346.431 1.552 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)/C=C/C[NH+](C)C)c1[nH+]ccn1C ZINC000364822476 153343150 /nfs/dbraw/zinc/34/31/50/153343150.db2.gz XKTRWVQVUOGWED-PYUISTEWSA-N 2 2 328.416 1.752 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC(C)(C)O)CC2)CC1 ZINC000364899001 153364523 /nfs/dbraw/zinc/36/45/23/153364523.db2.gz VGDVIPGGNOPTCB-UHFFFAOYSA-N 2 2 326.485 1.005 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[NH+]2CCC1CC2 ZINC000370247897 155398604 /nfs/dbraw/zinc/39/86/04/155398604.db2.gz RZULPPOHWXQWNG-UHFFFAOYSA-N 2 2 325.416 1.862 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000417264690 304388556 /nfs/dbraw/zinc/38/85/56/304388556.db2.gz AKAQOPKZQLSOGK-QGZVFWFLSA-N 2 2 349.385 1.854 20 0 EDADLP CC(C)N1CC[NH+](CCCN2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000367097657 154007607 /nfs/dbraw/zinc/00/76/07/154007607.db2.gz BGYDBKUSDYKJED-SFHVURJKSA-N 2 2 340.581 1.526 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367118055 154014384 /nfs/dbraw/zinc/01/43/84/154014384.db2.gz XANZPDIUFZIFFO-SJLPKXTDSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367118055 154014385 /nfs/dbraw/zinc/01/43/85/154014385.db2.gz XANZPDIUFZIFFO-SJLPKXTDSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1CCCN(C(=O)CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000367118055 154014387 /nfs/dbraw/zinc/01/43/87/154014387.db2.gz XANZPDIUFZIFFO-SJLPKXTDSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1CCCN(C(=O)CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000367118055 154014390 /nfs/dbraw/zinc/01/43/90/154014390.db2.gz XANZPDIUFZIFFO-SJLPKXTDSA-N 2 2 336.524 1.345 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000367351941 154085858 /nfs/dbraw/zinc/08/58/58/154085858.db2.gz TUXKDDXRVUIDIQ-HLLBOEOZSA-N 2 2 332.448 1.823 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000367351941 154085859 /nfs/dbraw/zinc/08/58/59/154085859.db2.gz TUXKDDXRVUIDIQ-HLLBOEOZSA-N 2 2 332.448 1.823 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000367435510 154120597 /nfs/dbraw/zinc/12/05/97/154120597.db2.gz BXYUZCOKUFJWLD-CYBMUJFWSA-N 2 2 348.472 1.978 20 0 EDADLP Cn1c[nH+]c2c1CCN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)C2 ZINC000369381680 155004964 /nfs/dbraw/zinc/00/49/64/155004964.db2.gz OBENGLPMMITZCC-KRWDZBQOSA-N 2 2 345.422 1.930 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000369633599 155116832 /nfs/dbraw/zinc/11/68/32/155116832.db2.gz BOHDJKNPYGRXSB-RDJZCZTQSA-N 2 2 347.507 1.573 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC[N@H+]1C ZINC000369633599 155116835 /nfs/dbraw/zinc/11/68/35/155116835.db2.gz BOHDJKNPYGRXSB-RDJZCZTQSA-N 2 2 347.507 1.573 20 0 EDADLP CCN1CCN(C(=O)NCCCn2cc[nH+]c2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000369638811 155118523 /nfs/dbraw/zinc/11/85/23/155118523.db2.gz LDACOCBFGPZBQZ-HNNXBMFYSA-N 2 2 345.451 1.393 20 0 EDADLP C[C@H]1CN(Cc2nccn2C(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000371694530 156065124 /nfs/dbraw/zinc/06/51/24/156065124.db2.gz UFQVGOQDIYVELJ-ZDUSSCGKSA-N 2 2 327.423 1.879 20 0 EDADLP C[C@H]1CN(Cc2nccn2C(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000371694530 156065127 /nfs/dbraw/zinc/06/51/27/156065127.db2.gz UFQVGOQDIYVELJ-ZDUSSCGKSA-N 2 2 327.423 1.879 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371704640 156070449 /nfs/dbraw/zinc/07/04/49/156070449.db2.gz XOWILZCZUSCERZ-DOMZBBRYSA-N 2 2 333.480 1.415 20 0 EDADLP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371704640 156070450 /nfs/dbraw/zinc/07/04/50/156070450.db2.gz XOWILZCZUSCERZ-DOMZBBRYSA-N 2 2 333.480 1.415 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000371927944 156170805 /nfs/dbraw/zinc/17/08/05/156170805.db2.gz SVDIRVBMDSOAGU-OLMNPRSZSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000371927944 156170808 /nfs/dbraw/zinc/17/08/08/156170808.db2.gz SVDIRVBMDSOAGU-OLMNPRSZSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000371927944 156170814 /nfs/dbraw/zinc/17/08/14/156170814.db2.gz SVDIRVBMDSOAGU-OLMNPRSZSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000371927944 156170819 /nfs/dbraw/zinc/17/08/19/156170819.db2.gz SVDIRVBMDSOAGU-OLMNPRSZSA-N 2 2 328.460 1.645 20 0 EDADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372045522 156223039 /nfs/dbraw/zinc/22/30/39/156223039.db2.gz DLCXRGVZKMKVBH-HKUYNNGSSA-N 2 2 345.487 1.896 20 0 EDADLP Cn1cc(-c2cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)on2)cn1 ZINC000372190710 156264984 /nfs/dbraw/zinc/26/49/84/156264984.db2.gz GXMXLYOVLHFSKW-FHLIZLRMSA-N 2 2 345.447 1.759 20 0 EDADLP Cn1cc(-c2cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)on2)cn1 ZINC000372190710 156264988 /nfs/dbraw/zinc/26/49/88/156264988.db2.gz GXMXLYOVLHFSKW-FHLIZLRMSA-N 2 2 345.447 1.759 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)CCC2 ZINC000372227118 156277918 /nfs/dbraw/zinc/27/79/18/156277918.db2.gz YPTNQXMAHQGWGW-RDJZCZTQSA-N 2 2 348.491 1.978 20 0 EDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCCOc1ccccc1 ZINC000374207360 157195472 /nfs/dbraw/zinc/19/54/72/157195472.db2.gz IZOJGJBWUBYSNF-UHFFFAOYSA-N 2 2 328.416 1.784 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000374386279 157271915 /nfs/dbraw/zinc/27/19/15/157271915.db2.gz MOWFLISBHNFCTN-HOCLYGCPSA-N 2 2 332.448 1.256 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000374386279 157271916 /nfs/dbraw/zinc/27/19/16/157271916.db2.gz MOWFLISBHNFCTN-HOCLYGCPSA-N 2 2 332.448 1.256 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374420243 157285690 /nfs/dbraw/zinc/28/56/90/157285690.db2.gz KYZXGUXBYGPJKC-CEXWTWQISA-N 2 2 345.487 1.795 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374420243 157285693 /nfs/dbraw/zinc/28/56/93/157285693.db2.gz KYZXGUXBYGPJKC-CEXWTWQISA-N 2 2 345.487 1.795 20 0 EDADLP Cc1nnc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1C1CC1 ZINC000374597972 157340825 /nfs/dbraw/zinc/34/08/25/157340825.db2.gz VNJITEYHHKNCSQ-CQSZACIVSA-N 2 2 332.496 1.522 20 0 EDADLP Cc1nnc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1C1CC1 ZINC000374597972 157340826 /nfs/dbraw/zinc/34/08/26/157340826.db2.gz VNJITEYHHKNCSQ-CQSZACIVSA-N 2 2 332.496 1.522 20 0 EDADLP CC(C)Cn1cc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cn1 ZINC000374716183 157375435 /nfs/dbraw/zinc/37/54/35/157375435.db2.gz KXKUUYXZPVHWME-MJGOQNOKSA-N 2 2 349.523 1.376 20 0 EDADLP CC(C)Cn1cc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@H]2C)cn1 ZINC000374716183 157375439 /nfs/dbraw/zinc/37/54/39/157375439.db2.gz KXKUUYXZPVHWME-MJGOQNOKSA-N 2 2 349.523 1.376 20 0 EDADLP CC(C)Cn1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)cn1 ZINC000374716183 157375441 /nfs/dbraw/zinc/37/54/41/157375441.db2.gz KXKUUYXZPVHWME-MJGOQNOKSA-N 2 2 349.523 1.376 20 0 EDADLP CC(C)Cn1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@H]2C)cn1 ZINC000374716183 157375445 /nfs/dbraw/zinc/37/54/45/157375445.db2.gz KXKUUYXZPVHWME-MJGOQNOKSA-N 2 2 349.523 1.376 20 0 EDADLP CCCC[C@@H](COC)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000374742909 157384773 /nfs/dbraw/zinc/38/47/73/157384773.db2.gz LEIACNJRUBZWDB-DLBZAZTESA-N 2 2 341.496 1.104 20 0 EDADLP CCCn1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000374770559 157393970 /nfs/dbraw/zinc/39/39/70/157393970.db2.gz HEWKFQWFRKNVPV-OAHLLOKOSA-N 2 2 333.480 1.534 20 0 EDADLP CCCn1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000374770559 157393972 /nfs/dbraw/zinc/39/39/72/157393972.db2.gz HEWKFQWFRKNVPV-OAHLLOKOSA-N 2 2 333.480 1.534 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000377940947 158035161 /nfs/dbraw/zinc/03/51/61/158035161.db2.gz BPLZSALDSILGPQ-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000377940947 158035164 /nfs/dbraw/zinc/03/51/64/158035164.db2.gz BPLZSALDSILGPQ-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000377940947 158035168 /nfs/dbraw/zinc/03/51/68/158035168.db2.gz BPLZSALDSILGPQ-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000377940947 158035171 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CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000364296947 287215907 /nfs/dbraw/zinc/21/59/07/287215907.db2.gz QOQPAFYUQKAYIT-BRWVUGGUSA-N 2 2 338.496 1.365 20 0 EDADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCC[NH3+] ZINC000418292420 304475862 /nfs/dbraw/zinc/47/58/62/304475862.db2.gz CGABUIWQABOJII-UHFFFAOYSA-N 2 2 345.447 1.842 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@H]3COCC[NH2+]3)n2)C1 ZINC000262303989 287356151 /nfs/dbraw/zinc/35/61/51/287356151.db2.gz BCKOOAPPRZBCQM-OLZOCXBDSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@H]3COCC[NH2+]3)n2)C1 ZINC000262303989 287356152 /nfs/dbraw/zinc/35/61/52/287356152.db2.gz BCKOOAPPRZBCQM-OLZOCXBDSA-N 2 2 338.477 1.692 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159159980 225161828 /nfs/dbraw/zinc/16/18/28/225161828.db2.gz NRMMABPMCDDBRP-SOLBZPMBSA-N 3 2 331.508 1.652 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 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277028905 /nfs/dbraw/zinc/02/89/05/277028905.db2.gz YPKGHDHBMDCQLR-KSSFIOAISA-N 2 2 345.443 1.111 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000369275684 277028906 /nfs/dbraw/zinc/02/89/06/277028906.db2.gz YPKGHDHBMDCQLR-KSSFIOAISA-N 2 2 345.443 1.111 20 0 EDADLP COC(=O)[C@H](CC(C)C)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367133261 277118896 /nfs/dbraw/zinc/11/88/96/277118896.db2.gz LBVNWIBDAIRRFI-SJORKVTESA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@H](CC(C)C)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367133261 277118897 /nfs/dbraw/zinc/11/88/97/277118897.db2.gz LBVNWIBDAIRRFI-SJORKVTESA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367133261 277118898 /nfs/dbraw/zinc/11/88/98/277118898.db2.gz LBVNWIBDAIRRFI-SJORKVTESA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)[C@H](CC(C)C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367133261 277118899 /nfs/dbraw/zinc/11/88/99/277118899.db2.gz LBVNWIBDAIRRFI-SJORKVTESA-N 2 2 325.497 1.674 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(F)cc1 ZINC000360775884 277136539 /nfs/dbraw/zinc/13/65/39/277136539.db2.gz NDVIMNCXJCAAEB-CVEARBPZSA-N 2 2 331.395 1.767 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(F)cc1 ZINC000360775884 277136540 /nfs/dbraw/zinc/13/65/40/277136540.db2.gz NDVIMNCXJCAAEB-CVEARBPZSA-N 2 2 331.395 1.767 20 0 EDADLP COc1ccccc1C1(F)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000368537425 278047422 /nfs/dbraw/zinc/04/74/22/278047422.db2.gz IFBGYEDCWZBEPW-UHFFFAOYSA-N 2 2 349.450 1.730 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000341579424 278201113 /nfs/dbraw/zinc/20/11/13/278201113.db2.gz FAQWPPYUKOKENV-IXDOHACOSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000341579424 278201116 /nfs/dbraw/zinc/20/11/16/278201116.db2.gz FAQWPPYUKOKENV-IXDOHACOSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000286619706 288047610 /nfs/dbraw/zinc/04/76/10/288047610.db2.gz CGPBEJYXIXPBCH-NJAFHUGGSA-N 2 2 331.460 1.611 20 0 EDADLP COCC[NH+](CCOC)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000286719116 288069681 /nfs/dbraw/zinc/06/96/81/288069681.db2.gz PNSGEHRFVFDZFY-ONEGZZNKSA-N 2 2 336.436 1.009 20 0 EDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2[nH+]ccn2C)C1 ZINC000286772201 288082894 /nfs/dbraw/zinc/08/28/94/288082894.db2.gz HUNUWXBIFAXAGS-AWEZNQCLSA-N 2 2 349.479 1.053 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)C1CC1 ZINC000151595168 279055201 /nfs/dbraw/zinc/05/52/01/279055201.db2.gz OESMONKYLIJHTR-LJQANCHMSA-N 2 2 345.487 1.969 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)C1CC1 ZINC000151595168 279055202 /nfs/dbraw/zinc/05/52/02/279055202.db2.gz OESMONKYLIJHTR-LJQANCHMSA-N 2 2 345.487 1.969 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000346348880 279187258 /nfs/dbraw/zinc/18/72/58/279187258.db2.gz KLJVCMKCLQOUIY-QGZVFWFLSA-N 2 2 349.479 1.181 20 0 EDADLP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000346348880 279187262 /nfs/dbraw/zinc/18/72/62/279187262.db2.gz KLJVCMKCLQOUIY-QGZVFWFLSA-N 2 2 349.479 1.181 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000178860848 279208779 /nfs/dbraw/zinc/20/87/79/279208779.db2.gz WJXMNDNDXUZJLD-FZCLSBEQSA-N 2 2 331.460 1.502 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416986689 279260456 /nfs/dbraw/zinc/26/04/56/279260456.db2.gz MHDOEFFBBTYNQB-MCIONIFRSA-N 2 2 335.452 1.232 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[NH+]2CCCCCC2)CC[NH2+]CC1 ZINC000422812287 279528682 /nfs/dbraw/zinc/52/86/82/279528682.db2.gz WDWGHGDXLNQSHD-MRXNPFEDSA-N 3 2 325.497 1.773 20 0 EDADLP CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000287040758 288143785 /nfs/dbraw/zinc/14/37/85/288143785.db2.gz SVLKHXFYIRDONG-HNNXBMFYSA-N 2 2 329.404 1.978 20 0 EDADLP CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000287040758 288143787 /nfs/dbraw/zinc/14/37/87/288143787.db2.gz SVLKHXFYIRDONG-HNNXBMFYSA-N 2 2 329.404 1.978 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000287152897 288167945 /nfs/dbraw/zinc/16/79/45/288167945.db2.gz LZFISUQGQJIWTM-LSDHHAIUSA-N 2 2 347.463 1.105 20 0 EDADLP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000359776925 280163399 /nfs/dbraw/zinc/16/33/99/280163399.db2.gz CUOKMGMDSXXKIE-FGTMMUONSA-N 2 2 337.508 1.676 20 0 EDADLP CC[C@@H]([NH2+]Cc1ccccc1N1CCN(C(C)=O)CC1)[C@@H]1CCC[NH2+]1 ZINC000422875426 280191088 /nfs/dbraw/zinc/19/10/88/280191088.db2.gz CKZGHGNZMFGBQA-MOPGFXCFSA-N 2 2 344.503 1.975 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000287458089 288242375 /nfs/dbraw/zinc/24/23/75/288242375.db2.gz RXTSSDBURYGYDI-MAUKXSAKSA-N 2 2 331.460 1.683 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccc(F)cc1 ZINC000287505363 288253331 /nfs/dbraw/zinc/25/33/31/288253331.db2.gz UHQSWCXGZGWMQE-JKSUJKDBSA-N 2 2 338.427 1.058 20 0 EDADLP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccc(F)cc1 ZINC000287505363 288253333 /nfs/dbraw/zinc/25/33/33/288253333.db2.gz UHQSWCXGZGWMQE-JKSUJKDBSA-N 2 2 338.427 1.058 20 0 EDADLP CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CCC[NH2+]1 ZINC000422992942 280938317 /nfs/dbraw/zinc/93/83/17/280938317.db2.gz DMJQIQOJHGVFPR-STQMWFEESA-N 2 2 331.507 1.455 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290680698 288935632 /nfs/dbraw/zinc/93/56/32/288935632.db2.gz LYJXTUSVONTVRJ-UKRRQHHQSA-N 2 2 329.404 1.661 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCC[N@@H+]1C ZINC000355558593 289059743 /nfs/dbraw/zinc/05/97/43/289059743.db2.gz AXNSCSYNSRSJSZ-GDBMZVCRSA-N 2 2 332.448 1.126 20 0 EDADLP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)CCC[N@H+]1C ZINC000355558593 289059745 /nfs/dbraw/zinc/05/97/45/289059745.db2.gz AXNSCSYNSRSJSZ-GDBMZVCRSA-N 2 2 332.448 1.126 20 0 EDADLP C[NH+]1CCC(CC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000291442475 289067171 /nfs/dbraw/zinc/06/71/71/289067171.db2.gz IVSAQCXINSKYNH-UHFFFAOYSA-N 2 2 332.448 1.266 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292106950 289262755 /nfs/dbraw/zinc/26/27/55/289262755.db2.gz IQLBSSBTZMPQOM-LIRRHRJNSA-N 2 2 344.459 1.401 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292106950 289262757 /nfs/dbraw/zinc/26/27/57/289262757.db2.gz IQLBSSBTZMPQOM-LIRRHRJNSA-N 2 2 344.459 1.401 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292106950 289262758 /nfs/dbraw/zinc/26/27/58/289262758.db2.gz IQLBSSBTZMPQOM-LIRRHRJNSA-N 2 2 344.459 1.401 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292106950 289262760 /nfs/dbraw/zinc/26/27/60/289262760.db2.gz IQLBSSBTZMPQOM-LIRRHRJNSA-N 2 2 344.459 1.401 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1c(F)cccc1F ZINC000417664273 289356590 /nfs/dbraw/zinc/35/65/90/289356590.db2.gz WKZGOWRFRVRHRY-BYCMXARLSA-N 2 2 338.402 1.571 20 0 EDADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C1CC[NH2+]CC1 ZINC000168164334 289698624 /nfs/dbraw/zinc/69/86/24/289698624.db2.gz UMZMQGCPMNZXGX-HNNXBMFYSA-N 2 2 337.489 1.579 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC(C)(C)[NH+](C)C)CC2 ZINC000350101917 295040249 /nfs/dbraw/zinc/04/02/49/295040249.db2.gz GSGOTKKGKPKSDP-UHFFFAOYSA-N 2 2 349.475 1.518 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC(C)(C)[NH+](C)C)CC2 ZINC000350101917 295040251 /nfs/dbraw/zinc/04/02/51/295040251.db2.gz GSGOTKKGKPKSDP-UHFFFAOYSA-N 2 2 349.475 1.518 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000262086776 295226645 /nfs/dbraw/zinc/22/66/45/295226645.db2.gz ULLAMURLRICFPH-QGZVFWFLSA-N 2 2 342.447 1.087 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)n1 ZINC000262086776 295226647 /nfs/dbraw/zinc/22/66/47/295226647.db2.gz ULLAMURLRICFPH-QGZVFWFLSA-N 2 2 342.447 1.087 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)COC)CC2)CC1 ZINC000422022649 447312099 /nfs/dbraw/zinc/31/20/99/447312099.db2.gz PDKJUZOGNACWFG-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)COC)CC2)CC1 ZINC000422022649 447312103 /nfs/dbraw/zinc/31/21/03/447312103.db2.gz PDKJUZOGNACWFG-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000420301114 304746108 /nfs/dbraw/zinc/74/61/08/304746108.db2.gz DPHSTEUQMNZSIH-UHFFFAOYSA-N 2 2 339.461 1.951 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3ccc(C)n3)CC2)CC1 ZINC000422026378 447314917 /nfs/dbraw/zinc/31/49/17/447314917.db2.gz UVNRENQNWYEHHW-UHFFFAOYSA-N 2 2 333.480 1.210 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3ccc(C)n3)CC2)CC1 ZINC000422026378 447314925 /nfs/dbraw/zinc/31/49/25/447314925.db2.gz UVNRENQNWYEHHW-UHFFFAOYSA-N 2 2 333.480 1.210 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000332533982 302599628 /nfs/dbraw/zinc/59/96/28/302599628.db2.gz IEHFAMHQFKFVNY-CJNGLKHVSA-N 2 2 347.463 1.960 20 0 EDADLP CCOc1ccc(Cl)cc1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653154931 453344222 /nfs/dbraw/zinc/34/42/22/453344222.db2.gz DLTWDZGNEQTXHQ-AWEZNQCLSA-N 2 2 327.856 1.676 20 0 EDADLP C[N@@H+]1CCN(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1(C)C ZINC000294459101 303110437 /nfs/dbraw/zinc/11/04/37/303110437.db2.gz WBTCEGRJGBIJIV-CQSZACIVSA-N 2 2 334.493 1.571 20 0 EDADLP C[N@H+]1CCN(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1(C)C ZINC000294459101 303110439 /nfs/dbraw/zinc/11/04/39/303110439.db2.gz WBTCEGRJGBIJIV-CQSZACIVSA-N 2 2 334.493 1.571 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000294859428 303150702 /nfs/dbraw/zinc/15/07/02/303150702.db2.gz VRTRFFCQNYITPT-OAHLLOKOSA-N 2 2 333.480 1.945 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCN2CCC(O)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000294948262 303156264 /nfs/dbraw/zinc/15/62/64/303156264.db2.gz VSVNXCRUFUFRSU-PKOBYXMFSA-N 2 2 331.504 1.943 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCN2CCC(O)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000294948262 303156265 /nfs/dbraw/zinc/15/62/65/303156265.db2.gz VSVNXCRUFUFRSU-PKOBYXMFSA-N 2 2 331.504 1.943 20 0 EDADLP C[C@H]([N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)O ZINC000295187872 303185779 /nfs/dbraw/zinc/18/57/79/303185779.db2.gz QPZAHGBSDFIYSU-HNNXBMFYSA-N 2 2 349.475 1.549 20 0 EDADLP C[C@H]([N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)O ZINC000295187872 303185781 /nfs/dbraw/zinc/18/57/81/303185781.db2.gz QPZAHGBSDFIYSU-HNNXBMFYSA-N 2 2 349.475 1.549 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295480720 303225158 /nfs/dbraw/zinc/22/51/58/303225158.db2.gz OAFVICPHKVBECH-OAHLLOKOSA-N 2 2 330.432 1.308 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295480720 303225159 /nfs/dbraw/zinc/22/51/59/303225159.db2.gz OAFVICPHKVBECH-OAHLLOKOSA-N 2 2 330.432 1.308 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000295538290 303232019 /nfs/dbraw/zinc/23/20/19/303232019.db2.gz CJYUMUPSAQSCQJ-KRWDZBQOSA-N 2 2 342.443 1.810 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000295538290 303232020 /nfs/dbraw/zinc/23/20/20/303232020.db2.gz CJYUMUPSAQSCQJ-KRWDZBQOSA-N 2 2 342.443 1.810 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000272769379 303299807 /nfs/dbraw/zinc/29/98/07/303299807.db2.gz SFNRYQYHLOCZFA-HOTGVXAUSA-N 2 2 335.423 1.969 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000272769379 303299810 /nfs/dbraw/zinc/29/98/10/303299810.db2.gz SFNRYQYHLOCZFA-HOTGVXAUSA-N 2 2 335.423 1.969 20 0 EDADLP COc1nccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000296822110 303339608 /nfs/dbraw/zinc/33/96/08/303339608.db2.gz NKHZAAKGBACUQD-XJKSGUPXSA-N 2 2 330.436 1.391 20 0 EDADLP COc1nccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)n1 ZINC000296822110 303339609 /nfs/dbraw/zinc/33/96/09/303339609.db2.gz NKHZAAKGBACUQD-XJKSGUPXSA-N 2 2 330.436 1.391 20 0 EDADLP Cc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn2cc[nH+]c12 ZINC000296837291 303340616 /nfs/dbraw/zinc/34/06/16/303340616.db2.gz JPDXQAFGIYNUIL-UHFFFAOYSA-N 3 2 344.463 1.790 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000297125423 303362556 /nfs/dbraw/zinc/36/25/56/303362556.db2.gz YFHABTNOSMYSBD-OAHLLOKOSA-N 2 2 331.420 1.563 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000660546305 453391031 /nfs/dbraw/zinc/39/10/31/453391031.db2.gz IKXQCTQCSFUCOX-QGZVFWFLSA-N 2 2 327.513 1.801 20 0 EDADLP COC[C@@H](C)[NH+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000301328299 303672908 /nfs/dbraw/zinc/67/29/08/303672908.db2.gz CLDYTKUEVPCNIR-HZPDHXFCSA-N 2 2 333.480 1.870 20 0 EDADLP COCCn1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)cn1 ZINC000414887004 447344145 /nfs/dbraw/zinc/34/41/45/447344145.db2.gz QJBBTXOVTOUCCW-RTBURBONSA-N 2 2 344.459 1.773 20 0 EDADLP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423101366 304885983 /nfs/dbraw/zinc/88/59/83/304885983.db2.gz INKXZNSDQDXHNC-OALUTQOASA-N 2 2 326.444 1.788 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2=O)c(OC)c1 ZINC000423109661 304886756 /nfs/dbraw/zinc/88/67/56/304886756.db2.gz NZCINYBWPOBARE-XKQJLSEDSA-N 2 2 347.459 1.535 20 0 EDADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CCC[NH2+]1 ZINC000423441808 304896349 /nfs/dbraw/zinc/89/63/49/304896349.db2.gz WGIFPUWPURPKPH-BBRMVZONSA-N 2 2 326.462 1.509 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])C(C)C)[NH+]2CCOCC2)s1 ZINC000423757527 304909144 /nfs/dbraw/zinc/90/91/44/304909144.db2.gz MRSGALZLHQGEKM-GJZGRUSLSA-N 2 2 339.505 1.777 20 0 EDADLP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)cc21 ZINC000493588352 447348128 /nfs/dbraw/zinc/34/81/28/447348128.db2.gz RELODBVAAPWYQB-XQRVVYSFSA-N 2 2 341.371 1.531 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428032086 305004552 /nfs/dbraw/zinc/00/45/52/305004552.db2.gz NIZSNGQSQCUHAE-JZXOWHBKSA-N 2 2 331.460 1.562 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000428032086 305004553 /nfs/dbraw/zinc/00/45/53/305004553.db2.gz NIZSNGQSQCUHAE-JZXOWHBKSA-N 2 2 331.460 1.562 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1 ZINC000428053275 305005989 /nfs/dbraw/zinc/00/59/89/305005989.db2.gz KRVANWALUDNXNR-PKOBYXMFSA-N 2 2 329.488 1.954 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)c1 ZINC000428053275 305005990 /nfs/dbraw/zinc/00/59/90/305005990.db2.gz KRVANWALUDNXNR-PKOBYXMFSA-N 2 2 329.488 1.954 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000428495572 305010159 /nfs/dbraw/zinc/01/01/59/305010159.db2.gz QUYIKDFDOZSXLC-XJKSGUPXSA-N 2 2 339.867 1.468 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1F ZINC000429014479 305022799 /nfs/dbraw/zinc/02/27/99/305022799.db2.gz YXOFSLYEUDXDLZ-LJQANCHMSA-N 2 2 349.450 1.820 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1F ZINC000429014479 305022800 /nfs/dbraw/zinc/02/28/00/305022800.db2.gz YXOFSLYEUDXDLZ-LJQANCHMSA-N 2 2 349.450 1.820 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1F ZINC000429014479 305022801 /nfs/dbraw/zinc/02/28/01/305022801.db2.gz YXOFSLYEUDXDLZ-LJQANCHMSA-N 2 2 349.450 1.820 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1F ZINC000429014479 305022802 /nfs/dbraw/zinc/02/28/02/305022802.db2.gz YXOFSLYEUDXDLZ-LJQANCHMSA-N 2 2 349.450 1.820 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C2(CO)CCC2)CC1 ZINC000429264565 305027059 /nfs/dbraw/zinc/02/70/59/305027059.db2.gz PNEOMRUIPDXLDD-QGZVFWFLSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C2(CO)CCC2)CC1 ZINC000429264565 305027060 /nfs/dbraw/zinc/02/70/60/305027060.db2.gz PNEOMRUIPDXLDD-QGZVFWFLSA-N 2 2 345.487 1.739 20 0 EDADLP CC[C@@H]1CC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429281483 305027495 /nfs/dbraw/zinc/02/74/95/305027495.db2.gz CEMTZDZTSMOKSA-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CC[C@@H]1CC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429281483 305027496 /nfs/dbraw/zinc/02/74/96/305027496.db2.gz CEMTZDZTSMOKSA-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(CC[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000429688192 305035130 /nfs/dbraw/zinc/03/51/30/305035130.db2.gz ZBXZRQBDNGJRMP-HXUWFJFHSA-N 2 2 330.520 1.830 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(CC[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000429688192 305035131 /nfs/dbraw/zinc/03/51/31/305035131.db2.gz ZBXZRQBDNGJRMP-HXUWFJFHSA-N 2 2 330.520 1.830 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CCN(C)Cc3ccccc3)C2)CC1 ZINC000429688192 305035132 /nfs/dbraw/zinc/03/51/32/305035132.db2.gz ZBXZRQBDNGJRMP-HXUWFJFHSA-N 2 2 330.520 1.830 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCN(C)Cc3ccccc3)C2)CC1 ZINC000429688192 305035133 /nfs/dbraw/zinc/03/51/33/305035133.db2.gz ZBXZRQBDNGJRMP-HXUWFJFHSA-N 2 2 330.520 1.830 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(CC[N@H+](C)Cc3ccccc3)C2)CC1 ZINC000429688192 305035134 /nfs/dbraw/zinc/03/51/34/305035134.db2.gz ZBXZRQBDNGJRMP-HXUWFJFHSA-N 2 2 330.520 1.830 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(CC[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000429688192 305035135 /nfs/dbraw/zinc/03/51/35/305035135.db2.gz ZBXZRQBDNGJRMP-HXUWFJFHSA-N 2 2 330.520 1.830 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000429819248 305037830 /nfs/dbraw/zinc/03/78/30/305037830.db2.gz TZXLBQJRNGFWFY-SZMVWBNQSA-N 2 2 345.487 1.768 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000429819248 305037831 /nfs/dbraw/zinc/03/78/31/305037831.db2.gz TZXLBQJRNGFWFY-SZMVWBNQSA-N 2 2 345.487 1.768 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000429819248 305037832 /nfs/dbraw/zinc/03/78/32/305037832.db2.gz TZXLBQJRNGFWFY-SZMVWBNQSA-N 2 2 345.487 1.768 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000429819248 305037833 /nfs/dbraw/zinc/03/78/33/305037833.db2.gz TZXLBQJRNGFWFY-SZMVWBNQSA-N 2 2 345.487 1.768 20 0 EDADLP Cc1[nH]c2ccc(NC(=O)c3nnn(C4CC[NH2+]CC4)c3C)cc2[nH+]1 ZINC000430186856 305047172 /nfs/dbraw/zinc/04/71/72/305047172.db2.gz AQWBVHILZIMTLF-UHFFFAOYSA-N 2 2 339.403 1.948 20 0 EDADLP O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)NC(=O)NCc1ccccc1 ZINC000430584148 305057192 /nfs/dbraw/zinc/05/71/92/305057192.db2.gz UGTGZRTYMUVXNW-CVEARBPZSA-N 2 2 330.432 1.229 20 0 EDADLP O=C(CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)NC(=O)NCc1ccccc1 ZINC000430584148 305057193 /nfs/dbraw/zinc/05/71/93/305057193.db2.gz UGTGZRTYMUVXNW-CVEARBPZSA-N 2 2 330.432 1.229 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430599269 305057945 /nfs/dbraw/zinc/05/79/45/305057945.db2.gz GBEIWQOHHKDEQA-OLZOCXBDSA-N 2 2 325.403 1.683 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430599269 305057946 /nfs/dbraw/zinc/05/79/46/305057946.db2.gz GBEIWQOHHKDEQA-OLZOCXBDSA-N 2 2 325.403 1.683 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430604413 305058398 /nfs/dbraw/zinc/05/83/98/305058398.db2.gz NBSUQKKNOMAONA-MRXNPFEDSA-N 2 2 341.459 1.420 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430604413 305058399 /nfs/dbraw/zinc/05/83/99/305058399.db2.gz NBSUQKKNOMAONA-MRXNPFEDSA-N 2 2 341.459 1.420 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000430622017 305059524 /nfs/dbraw/zinc/05/95/24/305059524.db2.gz FAKKCWOQCJHWNN-UHFFFAOYSA-N 2 2 346.475 1.791 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000430622017 305059525 /nfs/dbraw/zinc/05/95/25/305059525.db2.gz FAKKCWOQCJHWNN-UHFFFAOYSA-N 2 2 346.475 1.791 20 0 EDADLP [NH3+][C@H]1CCN(CC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000430625532 305060090 /nfs/dbraw/zinc/06/00/90/305060090.db2.gz JURYGMPKTNXVQF-INIZCTEOSA-N 2 2 336.867 1.017 20 0 EDADLP CO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430643975 305060940 /nfs/dbraw/zinc/06/09/40/305060940.db2.gz YJSMOACKQWTLDC-NWDGAFQWSA-N 2 2 326.466 1.137 20 0 EDADLP CO[C@@H](C)c1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cs1 ZINC000430643975 305060941 /nfs/dbraw/zinc/06/09/41/305060941.db2.gz YJSMOACKQWTLDC-NWDGAFQWSA-N 2 2 326.466 1.137 20 0 EDADLP CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430642821 305060978 /nfs/dbraw/zinc/06/09/78/305060978.db2.gz PFWCJGCIMHTZTN-CYBMUJFWSA-N 2 2 335.452 1.011 20 0 EDADLP CC(C)(C)c1noc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430642821 305060979 /nfs/dbraw/zinc/06/09/79/305060979.db2.gz PFWCJGCIMHTZTN-CYBMUJFWSA-N 2 2 335.452 1.011 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430653997 305061496 /nfs/dbraw/zinc/06/14/96/305061496.db2.gz ZZKIPYZDZMUXDK-HUUCEWRRSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430653997 305061497 /nfs/dbraw/zinc/06/14/97/305061497.db2.gz ZZKIPYZDZMUXDK-HUUCEWRRSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)c[nH+]2)C[C@H](C)O1 ZINC000430753080 305064184 /nfs/dbraw/zinc/06/41/84/305064184.db2.gz GNVQPUJVXJCWLB-IYOUNJFTSA-N 2 2 332.448 1.311 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430921879 305068235 /nfs/dbraw/zinc/06/82/35/305068235.db2.gz VLXGQPKPCFBVPZ-CRAIPNDOSA-N 2 2 333.476 1.899 20 0 EDADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430921879 305068236 /nfs/dbraw/zinc/06/82/36/305068236.db2.gz VLXGQPKPCFBVPZ-CRAIPNDOSA-N 2 2 333.476 1.899 20 0 EDADLP C[C@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)[NH2+]1 ZINC000430927980 305068595 /nfs/dbraw/zinc/06/85/95/305068595.db2.gz KGUGCQBXDHJALO-HOTGVXAUSA-N 2 2 346.475 1.140 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000430935626 305069190 /nfs/dbraw/zinc/06/91/90/305069190.db2.gz UPGZUCJHYKWPIK-JKSUJKDBSA-N 2 2 346.475 1.336 20 0 EDADLP Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)c1 ZINC000430935626 305069191 /nfs/dbraw/zinc/06/91/91/305069191.db2.gz UPGZUCJHYKWPIK-JKSUJKDBSA-N 2 2 346.475 1.336 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000430947365 305070041 /nfs/dbraw/zinc/07/00/41/305070041.db2.gz DMRPADPRGZNVQG-AEFFLSMTSA-N 2 2 330.476 1.313 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000430947365 305070042 /nfs/dbraw/zinc/07/00/42/305070042.db2.gz DMRPADPRGZNVQG-AEFFLSMTSA-N 2 2 330.476 1.313 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430965162 305071509 /nfs/dbraw/zinc/07/15/09/305071509.db2.gz HSCWWLNXPDCWMB-HNNXBMFYSA-N 2 2 334.439 1.016 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430965162 305071510 /nfs/dbraw/zinc/07/15/10/305071510.db2.gz HSCWWLNXPDCWMB-HNNXBMFYSA-N 2 2 334.439 1.016 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000433141299 305101598 /nfs/dbraw/zinc/10/15/98/305101598.db2.gz NTQQEVJIBXAVBF-FMKPAKJESA-N 2 2 334.464 1.542 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000434461360 305123247 /nfs/dbraw/zinc/12/32/47/305123247.db2.gz WYHARKAELREFJO-WMZOPIPTSA-N 2 2 346.475 1.083 20 0 EDADLP C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)[NH+]1CCOCC1 ZINC000434461360 305123248 /nfs/dbraw/zinc/12/32/48/305123248.db2.gz WYHARKAELREFJO-WMZOPIPTSA-N 2 2 346.475 1.083 20 0 EDADLP O=C(CN(C1CC1)[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000435238291 305137694 /nfs/dbraw/zinc/13/76/94/305137694.db2.gz QFDHQUJJDQMTQY-INIZCTEOSA-N 2 2 348.516 1.219 20 0 EDADLP CCC[N@H+](Cc1ccc(OCC(=O)NCC)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000435384281 305139459 /nfs/dbraw/zinc/13/94/59/305139459.db2.gz LKMAXCCYEDNWBJ-INIZCTEOSA-N 2 2 349.475 1.784 20 0 EDADLP CCC[N@@H+](Cc1ccc(OCC(=O)NCC)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000435384281 305139460 /nfs/dbraw/zinc/13/94/60/305139460.db2.gz LKMAXCCYEDNWBJ-INIZCTEOSA-N 2 2 349.475 1.784 20 0 EDADLP CCn1nc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c2ccccc21 ZINC000435384813 305139534 /nfs/dbraw/zinc/13/95/34/305139534.db2.gz OPPLAEOZCAKSJL-HNNXBMFYSA-N 2 2 341.459 1.452 20 0 EDADLP CCn1nc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c2ccccc21 ZINC000435384813 305139535 /nfs/dbraw/zinc/13/95/35/305139535.db2.gz OPPLAEOZCAKSJL-HNNXBMFYSA-N 2 2 341.459 1.452 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435621045 305143783 /nfs/dbraw/zinc/14/37/83/305143783.db2.gz IGBDYOZTNMZVII-LSDHHAIUSA-N 2 2 349.475 1.955 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435621045 305143784 /nfs/dbraw/zinc/14/37/84/305143784.db2.gz IGBDYOZTNMZVII-LSDHHAIUSA-N 2 2 349.475 1.955 20 0 EDADLP C[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000435624698 305143898 /nfs/dbraw/zinc/14/38/98/305143898.db2.gz JPZQHHSEEYHKLS-ROUUACIJSA-N 2 2 349.450 1.800 20 0 EDADLP C[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@H]1CCC[NH2+]CC1 ZINC000435624698 305143899 /nfs/dbraw/zinc/14/38/99/305143899.db2.gz JPZQHHSEEYHKLS-ROUUACIJSA-N 2 2 349.450 1.800 20 0 EDADLP CC(C)[C@@H](C)NC(=O)CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435695935 305145648 /nfs/dbraw/zinc/14/56/48/305145648.db2.gz OSTYGOGKQGJBIH-CVEARBPZSA-N 2 2 347.507 1.525 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000436152337 305153244 /nfs/dbraw/zinc/15/32/44/305153244.db2.gz NLWFNSRXCKNIMS-UHFFFAOYSA-N 2 2 337.439 1.851 20 0 EDADLP Cc1c(F)cccc1NC(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000436152337 305153245 /nfs/dbraw/zinc/15/32/45/305153245.db2.gz NLWFNSRXCKNIMS-UHFFFAOYSA-N 2 2 337.439 1.851 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)N3CCC[C@@H]3C)CC2)c1 ZINC000438722025 305188544 /nfs/dbraw/zinc/18/85/44/305188544.db2.gz LMLXBKXRFJWBHB-HNNXBMFYSA-N 2 2 332.448 1.613 20 0 EDADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000438850461 305190101 /nfs/dbraw/zinc/19/01/01/305190101.db2.gz HRKYAYZNZIKOAI-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000438850461 305190102 /nfs/dbraw/zinc/19/01/02/305190102.db2.gz HRKYAYZNZIKOAI-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000438850461 305190103 /nfs/dbraw/zinc/19/01/03/305190103.db2.gz HRKYAYZNZIKOAI-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000438850461 305190104 /nfs/dbraw/zinc/19/01/04/305190104.db2.gz HRKYAYZNZIKOAI-DLBZAZTESA-N 2 2 340.512 1.517 20 0 EDADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000441329533 305220992 /nfs/dbraw/zinc/22/09/92/305220992.db2.gz FJJSMFBLGUSOPA-HOTGVXAUSA-N 2 2 335.448 1.423 20 0 EDADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@@H](C)C1 ZINC000441329533 305220993 /nfs/dbraw/zinc/22/09/93/305220993.db2.gz FJJSMFBLGUSOPA-HOTGVXAUSA-N 2 2 335.448 1.423 20 0 EDADLP COC(=O)COC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000449087264 305306210 /nfs/dbraw/zinc/30/62/10/305306210.db2.gz FJJLJSMBKLOXLK-CQSZACIVSA-N 2 2 338.423 1.958 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)[NH+]2CCOCC2)c1 ZINC000449321694 305311437 /nfs/dbraw/zinc/31/14/37/305311437.db2.gz UGQIYDCDXXVWGS-KBAYOESNSA-N 2 2 331.460 1.340 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC(=O)N[C@H](C)C2)CC1 ZINC000449525740 305312746 /nfs/dbraw/zinc/31/27/46/305312746.db2.gz UHYCSJGVFFMCNC-MRXNPFEDSA-N 2 2 330.476 1.539 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC(=O)N[C@H](C)C2)CC1 ZINC000449525740 305312747 /nfs/dbraw/zinc/31/27/47/305312747.db2.gz UHYCSJGVFFMCNC-MRXNPFEDSA-N 2 2 330.476 1.539 20 0 EDADLP CCC(CC)[C@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000449647933 305315499 /nfs/dbraw/zinc/31/54/99/305315499.db2.gz QELYWTBCAHHONC-USXIJHARSA-N 2 2 325.497 1.757 20 0 EDADLP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000451231051 305334778 /nfs/dbraw/zinc/33/47/78/305334778.db2.gz PEAVKNVRVDOYOS-VIQHNZTISA-N 2 2 342.480 1.168 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000455426007 305441151 /nfs/dbraw/zinc/44/11/51/305441151.db2.gz FEXJGDXFTFDMPE-FUHWJXTLSA-N 2 2 348.491 1.618 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([NH2+]Cc3c[nH+]c(C)n3C)C2=O)c1 ZINC000514951891 305710945 /nfs/dbraw/zinc/71/09/45/305710945.db2.gz UKDCNRUJRVLNOD-KRWDZBQOSA-N 2 2 344.415 1.641 20 0 EDADLP CC[NH2+]CCCNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000516916762 305743732 /nfs/dbraw/zinc/74/37/32/305743732.db2.gz QAFXBMNLMBOSBS-AWEZNQCLSA-N 2 2 335.452 1.310 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccncc3F)CC2)CC1 ZINC000449021749 447359423 /nfs/dbraw/zinc/35/94/23/447359423.db2.gz DZLDBYSOCMQRCY-UHFFFAOYSA-N 2 2 334.439 1.597 20 0 EDADLP CN(C)c1nc(N2CC[NH+](Cc3ccc4c(n3)CCC4)CC2)cc[nH+]1 ZINC000520356910 305778558 /nfs/dbraw/zinc/77/85/58/305778558.db2.gz ZUQNNMXWRKLACF-UHFFFAOYSA-N 2 2 338.459 1.749 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000521227626 305786791 /nfs/dbraw/zinc/78/67/91/305786791.db2.gz UVTJEVJNPYHLTF-KRWDZBQOSA-N 2 2 335.448 1.340 20 0 EDADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)S1 ZINC000535429438 306013603 /nfs/dbraw/zinc/01/36/03/306013603.db2.gz DMODMLQVVAUOLB-KBPBESRZSA-N 2 2 328.526 1.548 20 0 EDADLP O=S1(=O)CCc2cc(C[NH2+]Cc3cccc4[nH+]ccn43)ccc21 ZINC000537655651 306028421 /nfs/dbraw/zinc/02/84/21/306028421.db2.gz CBHCFULYBAASHD-UHFFFAOYSA-N 2 2 327.409 1.954 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000548283939 306123333 /nfs/dbraw/zinc/12/33/33/306123333.db2.gz FVPOCGVCOLVHJJ-OAHLLOKOSA-N 2 2 345.422 1.898 20 0 EDADLP Cc1nc(C2([NH2+]CCC(=O)N3CC[NH+](C)CC3)CCCCCC2)no1 ZINC000549141453 306144786 /nfs/dbraw/zinc/14/47/86/306144786.db2.gz NDMCQVVFIXQTBB-UHFFFAOYSA-N 2 2 349.479 1.681 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000551901074 306166908 /nfs/dbraw/zinc/16/69/08/306166908.db2.gz GDIZBWFUAVSBTD-KPZWWZAWSA-N 2 2 341.415 1.601 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000551901074 306166909 /nfs/dbraw/zinc/16/69/09/306166909.db2.gz GDIZBWFUAVSBTD-KPZWWZAWSA-N 2 2 341.415 1.601 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556647409 306212587 /nfs/dbraw/zinc/21/25/87/306212587.db2.gz MTPVPXRPQFEECE-IYBDPMFKSA-N 2 2 349.479 1.159 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556647409 306212588 /nfs/dbraw/zinc/21/25/88/306212588.db2.gz MTPVPXRPQFEECE-IYBDPMFKSA-N 2 2 349.479 1.159 20 0 EDADLP COc1ccc(Br)c(C[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000414957035 447373843 /nfs/dbraw/zinc/37/38/43/447373843.db2.gz BFVREZOKOUNDJO-GFCCVEGCSA-N 2 2 328.254 1.451 20 0 EDADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000449444020 447374457 /nfs/dbraw/zinc/37/44/57/447374457.db2.gz XSBZWOJCLWDWOU-DLBZAZTESA-N 2 2 339.505 1.568 20 0 EDADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000449444020 447374463 /nfs/dbraw/zinc/37/44/63/447374463.db2.gz XSBZWOJCLWDWOU-DLBZAZTESA-N 2 2 339.505 1.568 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414976068 447382058 /nfs/dbraw/zinc/38/20/58/447382058.db2.gz NHNKCOXJNZXZCP-LBPRGKRZSA-N 2 2 335.345 1.760 20 0 EDADLP Cc1[nH+]c(NCc2c[nH+]c(N(C)C)n2C)ccc1-c1cnn(C)c1 ZINC000419750706 447393772 /nfs/dbraw/zinc/39/37/72/447393772.db2.gz SLKRHEQKOXBDCY-UHFFFAOYSA-N 2 2 325.420 2.202 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000657092849 453676008 /nfs/dbraw/zinc/67/60/08/453676008.db2.gz PNHMXEBIUOEHCV-UHFFFAOYSA-N 2 2 333.885 1.502 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000657092849 453676013 /nfs/dbraw/zinc/67/60/13/453676013.db2.gz PNHMXEBIUOEHCV-UHFFFAOYSA-N 2 2 333.885 1.502 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1ccccc1F ZINC000657092081 453675297 /nfs/dbraw/zinc/67/52/97/453675297.db2.gz PPIIMZIPOGQMRB-UHFFFAOYSA-N 2 2 331.457 1.129 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NCCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC000045454880 440989256 /nfs/dbraw/zinc/98/92/56/440989256.db2.gz HZAFMPHOLRMZIL-IYBDPMFKSA-N 2 2 349.479 1.682 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NCCCNc2cccc[nH+]2)C[C@H](C)O1 ZINC000045454880 440989263 /nfs/dbraw/zinc/98/92/63/440989263.db2.gz HZAFMPHOLRMZIL-IYBDPMFKSA-N 2 2 349.479 1.682 20 0 EDADLP CC(C)(CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000045857773 441049823 /nfs/dbraw/zinc/04/98/23/441049823.db2.gz VKJQKEUWKSQVDA-UHFFFAOYSA-N 2 2 340.512 1.706 20 0 EDADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCNc1cccc[nH+]1 ZINC000057204988 441098529 /nfs/dbraw/zinc/09/85/29/441098529.db2.gz LYNMHUAIWMQXET-QGZVFWFLSA-N 2 2 341.459 1.966 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(C2CC2)n1 ZINC000069979412 441100750 /nfs/dbraw/zinc/10/07/50/441100750.db2.gz RZWQCNLLHILNIH-UHFFFAOYSA-N 2 2 331.464 1.452 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(C2CC2)n1 ZINC000069979412 441100752 /nfs/dbraw/zinc/10/07/52/441100752.db2.gz RZWQCNLLHILNIH-UHFFFAOYSA-N 2 2 331.464 1.452 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(CO)CC3)CC2)c1 ZINC000046091059 441080694 /nfs/dbraw/zinc/08/06/94/441080694.db2.gz OBQISXUNVMUSJX-UHFFFAOYSA-N 2 2 345.487 1.344 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000057818126 441136299 /nfs/dbraw/zinc/13/62/99/441136299.db2.gz ONKNDDTZKKPLPA-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000057818126 441136301 /nfs/dbraw/zinc/13/63/01/441136301.db2.gz ONKNDDTZKKPLPA-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(F)c1 ZINC000105107839 441234564 /nfs/dbraw/zinc/23/45/64/441234564.db2.gz QKLMVHGHKRPEME-UHFFFAOYSA-N 2 2 336.455 1.993 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(F)c1 ZINC000105107839 441234565 /nfs/dbraw/zinc/23/45/65/441234565.db2.gz QKLMVHGHKRPEME-UHFFFAOYSA-N 2 2 336.455 1.993 20 0 EDADLP C[NH+]1CCC(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000105115121 441235061 /nfs/dbraw/zinc/23/50/61/441235061.db2.gz QNMJPCXBUMGXJF-UHFFFAOYSA-N 2 2 331.464 1.823 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058412842 441192802 /nfs/dbraw/zinc/19/28/02/441192802.db2.gz MSWXUUJWRBOZLB-MRXNPFEDSA-N 2 2 334.464 1.383 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058412842 441192805 /nfs/dbraw/zinc/19/28/05/441192805.db2.gz MSWXUUJWRBOZLB-MRXNPFEDSA-N 2 2 334.464 1.383 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000080960714 441212735 /nfs/dbraw/zinc/21/27/35/441212735.db2.gz QXFZVUPDIWJNMF-ZDUSSCGKSA-N 2 2 339.399 1.574 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CC(=O)Nc2ccccc21 ZINC000080960714 441212739 /nfs/dbraw/zinc/21/27/39/441212739.db2.gz QXFZVUPDIWJNMF-ZDUSSCGKSA-N 2 2 339.399 1.574 20 0 EDADLP C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105301845 441249235 /nfs/dbraw/zinc/24/92/35/441249235.db2.gz GHGPQJCVUYCYLM-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000072723898 441255147 /nfs/dbraw/zinc/25/51/47/441255147.db2.gz QJEPQKUZAQBKNF-INIZCTEOSA-N 2 2 346.475 1.356 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH+]1CCCC1 ZINC000072812870 441262657 /nfs/dbraw/zinc/26/26/57/441262657.db2.gz MPGNLWWRLBNRIC-MRXNPFEDSA-N 2 2 328.416 1.845 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000081467564 441274693 /nfs/dbraw/zinc/27/46/93/441274693.db2.gz LQKVCXQUKURTQY-MRXNPFEDSA-N 2 2 334.464 1.720 20 0 EDADLP CC[NH+](CC)CCOc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC000072955560 441278345 /nfs/dbraw/zinc/27/83/45/441278345.db2.gz HPJFJRDDGKPVNG-UHFFFAOYSA-N 2 2 330.432 1.920 20 0 EDADLP CC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000061758111 441287352 /nfs/dbraw/zinc/28/73/52/441287352.db2.gz BHLTWXKBMQQBOF-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP O=C(NCCC[NH+]1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000073042728 441288201 /nfs/dbraw/zinc/28/82/01/441288201.db2.gz UFOWRNQVULZJAJ-UHFFFAOYSA-N 2 2 346.475 1.236 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C[N@H+](C)C(C)C)CC2)cc(OC)c1 ZINC000081998392 441329538 /nfs/dbraw/zinc/32/95/38/441329538.db2.gz FTDOHBPPLFITNS-UHFFFAOYSA-N 2 2 349.475 1.688 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc(OC)c1 ZINC000081998392 441329543 /nfs/dbraw/zinc/32/95/43/441329543.db2.gz FTDOHBPPLFITNS-UHFFFAOYSA-N 2 2 349.475 1.688 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000062261107 441298661 /nfs/dbraw/zinc/29/86/61/441298661.db2.gz SBQBDNMBSMOLPV-QGZVFWFLSA-N 2 2 346.475 1.527 20 0 EDADLP CC[N@H+](CCC(=O)OC)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064570104 441385001 /nfs/dbraw/zinc/38/50/01/441385001.db2.gz GEHGYPBXPQFOBE-UHFFFAOYSA-N 2 2 347.459 1.216 20 0 EDADLP CC[N@@H+](CCC(=O)OC)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064570104 441385004 /nfs/dbraw/zinc/38/50/04/441385004.db2.gz GEHGYPBXPQFOBE-UHFFFAOYSA-N 2 2 347.459 1.216 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000074390645 441430569 /nfs/dbraw/zinc/43/05/69/441430569.db2.gz ZUFCIGPNNAAIBP-GOSISDBHSA-N 2 2 333.476 1.859 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000053524339 441528478 /nfs/dbraw/zinc/52/84/78/441528478.db2.gz TYBCJWXPORSHBD-OAHLLOKOSA-N 2 2 343.431 1.809 20 0 EDADLP Cc1cnn(CCCCC[NH+]2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000111690761 441540299 /nfs/dbraw/zinc/54/02/99/441540299.db2.gz GGRDWTBAOBLAHH-UHFFFAOYSA-N 2 2 330.480 1.913 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCNC(=O)C3(C)C)c2cc1C ZINC000066529413 441541532 /nfs/dbraw/zinc/54/15/32/441541532.db2.gz GDUPANIKQFAJLB-CQSZACIVSA-N 2 2 330.432 1.224 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCNC(=O)C3(C)C)c2cc1C ZINC000066529413 441541533 /nfs/dbraw/zinc/54/15/33/441541533.db2.gz GDUPANIKQFAJLB-CQSZACIVSA-N 2 2 330.432 1.224 20 0 EDADLP CC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000075677180 441547862 /nfs/dbraw/zinc/54/78/62/441547862.db2.gz DTKOSEUAAWGQLM-QZTJIDSGSA-N 2 2 332.492 1.687 20 0 EDADLP CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000075677180 441547864 /nfs/dbraw/zinc/54/78/64/441547864.db2.gz DTKOSEUAAWGQLM-QZTJIDSGSA-N 2 2 332.492 1.687 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109752517 441504624 /nfs/dbraw/zinc/50/46/24/441504624.db2.gz GDIOLKWHZZOBBV-QZTJIDSGSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109752517 441504627 /nfs/dbraw/zinc/50/46/27/441504627.db2.gz GDIOLKWHZZOBBV-QZTJIDSGSA-N 2 2 338.540 1.783 20 0 EDADLP CC[N@H+](C[C@@H](O)Cn1cccn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108572 441599090 /nfs/dbraw/zinc/59/90/90/441599090.db2.gz OQWRXDYPTYSBBI-GOSISDBHSA-N 2 2 343.475 1.878 20 0 EDADLP CC[N@@H+](C[C@@H](O)Cn1cccn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108572 441599094 /nfs/dbraw/zinc/59/90/94/441599094.db2.gz OQWRXDYPTYSBBI-GOSISDBHSA-N 2 2 343.475 1.878 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000055086733 441616227 /nfs/dbraw/zinc/61/62/27/441616227.db2.gz YVJDPJGOBSPZEL-UHFFFAOYSA-N 2 2 347.488 1.905 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)CC[NH+]1CCOCC1)c1ccc(-n2cnnn2)cc1 ZINC000090046922 441617727 /nfs/dbraw/zinc/61/77/27/441617727.db2.gz KYGOEUZWKVMKAH-LSDHHAIUSA-N 2 2 330.436 1.424 20 0 EDADLP Cn1cc([C@@H](CO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000090884234 441645055 /nfs/dbraw/zinc/64/50/55/441645055.db2.gz WXITZBPYAZVUAG-LJQANCHMSA-N 2 2 346.450 1.889 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114478792 441661713 /nfs/dbraw/zinc/66/17/13/441661713.db2.gz BNPDQJDASHPAAY-HNNXBMFYSA-N 2 2 337.439 1.546 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114478792 441661716 /nfs/dbraw/zinc/66/17/16/441661716.db2.gz BNPDQJDASHPAAY-HNNXBMFYSA-N 2 2 337.439 1.546 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000114478742 441662198 /nfs/dbraw/zinc/66/21/98/441662198.db2.gz WHJRHSDRBMSHCS-KRWDZBQOSA-N 2 2 349.475 1.212 20 0 EDADLP COCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000114478742 441662201 /nfs/dbraw/zinc/66/22/01/441662201.db2.gz WHJRHSDRBMSHCS-KRWDZBQOSA-N 2 2 349.475 1.212 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121623284 441745017 /nfs/dbraw/zinc/74/50/17/441745017.db2.gz LJHJXSCUYALNJL-HNNXBMFYSA-N 2 2 346.475 1.817 20 0 EDADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121623284 441745021 /nfs/dbraw/zinc/74/50/21/441745021.db2.gz LJHJXSCUYALNJL-HNNXBMFYSA-N 2 2 346.475 1.817 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000173491853 441767968 /nfs/dbraw/zinc/76/79/68/441767968.db2.gz PPSOLLZGOOOXCR-DLBZAZTESA-N 2 2 345.491 1.784 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)n(C)n1 ZINC000173491853 441767973 /nfs/dbraw/zinc/76/79/73/441767973.db2.gz PPSOLLZGOOOXCR-DLBZAZTESA-N 2 2 345.491 1.784 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000158296745 441719249 /nfs/dbraw/zinc/71/92/49/441719249.db2.gz ZHTZSNLOKWGZRG-INIZCTEOSA-N 2 2 336.436 1.213 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000158296745 441719256 /nfs/dbraw/zinc/71/92/56/441719256.db2.gz ZHTZSNLOKWGZRG-INIZCTEOSA-N 2 2 336.436 1.213 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739152 441774687 /nfs/dbraw/zinc/77/46/87/441774687.db2.gz ZPUVWPCZQBXZDO-BRWVUGGUSA-N 2 2 339.524 1.943 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739152 441774692 /nfs/dbraw/zinc/77/46/92/441774692.db2.gz ZPUVWPCZQBXZDO-BRWVUGGUSA-N 2 2 339.524 1.943 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000115823112 441780495 /nfs/dbraw/zinc/78/04/95/441780495.db2.gz IANUPECACQYXOW-ARFHVFGLSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000115823112 441780501 /nfs/dbraw/zinc/78/05/01/441780501.db2.gz IANUPECACQYXOW-ARFHVFGLSA-N 2 2 326.485 1.079 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)n1 ZINC000173593303 441800529 /nfs/dbraw/zinc/80/05/29/441800529.db2.gz DIQOYDIZITVIND-IAGOWNOFSA-N 2 2 345.491 1.723 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)n1 ZINC000173593303 441800532 /nfs/dbraw/zinc/80/05/32/441800532.db2.gz DIQOYDIZITVIND-IAGOWNOFSA-N 2 2 345.491 1.723 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000173642221 441811481 /nfs/dbraw/zinc/81/14/81/441811481.db2.gz IDZZULBDAVWXRH-LBPRGKRZSA-N 2 2 340.855 1.762 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173640576 441812063 /nfs/dbraw/zinc/81/20/63/441812063.db2.gz YYEXAPGPHYAUOQ-INIZCTEOSA-N 2 2 347.459 1.758 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173640576 441812068 /nfs/dbraw/zinc/81/20/68/441812068.db2.gz YYEXAPGPHYAUOQ-INIZCTEOSA-N 2 2 347.459 1.758 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173640576 441812074 /nfs/dbraw/zinc/81/20/74/441812074.db2.gz YYEXAPGPHYAUOQ-INIZCTEOSA-N 2 2 347.459 1.758 20 0 EDADLP COc1ccc(C(=O)NC(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173640576 441812078 /nfs/dbraw/zinc/81/20/78/441812078.db2.gz YYEXAPGPHYAUOQ-INIZCTEOSA-N 2 2 347.459 1.758 20 0 EDADLP CCCC[N@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000068852542 441860278 /nfs/dbraw/zinc/86/02/78/441860278.db2.gz XRRJLYJTMBERAD-UHFFFAOYSA-N 2 2 337.464 1.672 20 0 EDADLP CCCC[N@@H+](CCOC)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000068852542 441860281 /nfs/dbraw/zinc/86/02/81/441860281.db2.gz XRRJLYJTMBERAD-UHFFFAOYSA-N 2 2 337.464 1.672 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)CCO2 ZINC000122946162 441869972 /nfs/dbraw/zinc/86/99/72/441869972.db2.gz FDEYYVBZWLZLBT-UHFFFAOYSA-N 2 2 331.460 1.720 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)CCO2 ZINC000122946162 441869980 /nfs/dbraw/zinc/86/99/80/441869980.db2.gz FDEYYVBZWLZLBT-UHFFFAOYSA-N 2 2 331.460 1.720 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000092897447 441839604 /nfs/dbraw/zinc/83/96/04/441839604.db2.gz HCUVICJUVBAZCM-OAHLLOKOSA-N 2 2 349.442 1.955 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000092897447 441839606 /nfs/dbraw/zinc/83/96/06/441839606.db2.gz HCUVICJUVBAZCM-OAHLLOKOSA-N 2 2 349.442 1.955 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124397731 441923429 /nfs/dbraw/zinc/92/34/29/441923429.db2.gz VLMODANOQBZHEG-UHFFFAOYSA-N 2 2 330.388 1.630 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124397731 441923430 /nfs/dbraw/zinc/92/34/30/441923430.db2.gz VLMODANOQBZHEG-UHFFFAOYSA-N 2 2 330.388 1.630 20 0 EDADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000125024701 441976518 /nfs/dbraw/zinc/97/65/18/441976518.db2.gz IUGIJTWVXSCOCY-QGZVFWFLSA-N 2 2 333.451 1.997 20 0 EDADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000125024701 441976524 /nfs/dbraw/zinc/97/65/24/441976524.db2.gz IUGIJTWVXSCOCY-QGZVFWFLSA-N 2 2 333.451 1.997 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCOC1 ZINC000078449188 441931336 /nfs/dbraw/zinc/93/13/36/441931336.db2.gz DSCKBHVYXQZRJU-GOSISDBHSA-N 2 2 331.460 1.299 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCOC1 ZINC000078449188 441931342 /nfs/dbraw/zinc/93/13/42/441931342.db2.gz DSCKBHVYXQZRJU-GOSISDBHSA-N 2 2 331.460 1.299 20 0 EDADLP Cn1ncc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1C(F)(F)F ZINC000151001757 441989346 /nfs/dbraw/zinc/98/93/46/441989346.db2.gz HEVWZELJTXRAQW-UHFFFAOYSA-N 2 2 346.397 1.983 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000161592253 442015138 /nfs/dbraw/zinc/01/51/38/442015138.db2.gz DSLYWNFGLALFMT-IBGZPJMESA-N 2 2 347.503 1.922 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000161592253 442015144 /nfs/dbraw/zinc/01/51/44/442015144.db2.gz DSLYWNFGLALFMT-IBGZPJMESA-N 2 2 347.503 1.922 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161705573 442026035 /nfs/dbraw/zinc/02/60/35/442026035.db2.gz SHIWFCVFEUDEJE-OAHLLOKOSA-N 2 2 340.512 1.611 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161705573 442026038 /nfs/dbraw/zinc/02/60/38/442026038.db2.gz SHIWFCVFEUDEJE-OAHLLOKOSA-N 2 2 340.512 1.611 20 0 EDADLP CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000161733847 442028278 /nfs/dbraw/zinc/02/82/78/442028278.db2.gz ZRCBUBBCJCCUJG-GHBBCFCZSA-N 2 2 345.487 1.659 20 0 EDADLP CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1 ZINC000161733847 442028288 /nfs/dbraw/zinc/02/82/88/442028288.db2.gz ZRCBUBBCJCCUJG-GHBBCFCZSA-N 2 2 345.487 1.659 20 0 EDADLP CCOc1cccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175592159 442090873 /nfs/dbraw/zinc/09/08/73/442090873.db2.gz PVCWEZIRSUOQCS-UHFFFAOYSA-N 2 2 348.491 1.911 20 0 EDADLP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069805234 442043741 /nfs/dbraw/zinc/04/37/41/442043741.db2.gz UPEKKCIGGMOTLA-KRWDZBQOSA-N 2 2 331.460 1.590 20 0 EDADLP CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069805234 442043745 /nfs/dbraw/zinc/04/37/45/442043745.db2.gz UPEKKCIGGMOTLA-KRWDZBQOSA-N 2 2 331.460 1.590 20 0 EDADLP CC[C@@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@@H+]1CCOC ZINC000161937991 442046823 /nfs/dbraw/zinc/04/68/23/442046823.db2.gz OZBFRWQMJODPKO-OAHLLOKOSA-N 2 2 330.436 1.518 20 0 EDADLP CC[C@@H]1CN(c2cncc(-n3cc[nH+]c3C)n2)CC[N@H+]1CCOC ZINC000161937991 442046828 /nfs/dbraw/zinc/04/68/28/442046828.db2.gz OZBFRWQMJODPKO-OAHLLOKOSA-N 2 2 330.436 1.518 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000151427459 442059531 /nfs/dbraw/zinc/05/95/31/442059531.db2.gz ZWKNFWBDBGVTAT-OAHLLOKOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000151427459 442059538 /nfs/dbraw/zinc/05/95/38/442059538.db2.gz ZWKNFWBDBGVTAT-OAHLLOKOSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCSCC1 ZINC000151508062 442075012 /nfs/dbraw/zinc/07/50/12/442075012.db2.gz WDFSQYDPNJCQND-HNNXBMFYSA-N 2 2 348.516 1.600 20 0 EDADLP CCC(CC)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000127185315 442179261 /nfs/dbraw/zinc/17/92/61/442179261.db2.gz KYRNBZWNNXQODU-UHFFFAOYSA-N 2 2 340.493 1.312 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCOC(C)(C)C3)CC2)CC1 ZINC000127489368 442207107 /nfs/dbraw/zinc/20/71/07/442207107.db2.gz XDGAHLQGORIBSG-UHFFFAOYSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000176346284 442212248 /nfs/dbraw/zinc/21/22/48/442212248.db2.gz OONUZDSYWQCYGN-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000176346284 442212250 /nfs/dbraw/zinc/21/22/50/442212250.db2.gz OONUZDSYWQCYGN-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152495348 442219714 /nfs/dbraw/zinc/21/97/14/442219714.db2.gz YNDMFGVXEWVFKR-RCCFBDPRSA-N 2 2 339.524 1.972 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152495348 442219718 /nfs/dbraw/zinc/21/97/18/442219718.db2.gz YNDMFGVXEWVFKR-RCCFBDPRSA-N 2 2 339.524 1.972 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152495348 442219721 /nfs/dbraw/zinc/21/97/21/442219721.db2.gz YNDMFGVXEWVFKR-RCCFBDPRSA-N 2 2 339.524 1.972 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152495348 442219724 /nfs/dbraw/zinc/21/97/24/442219724.db2.gz YNDMFGVXEWVFKR-RCCFBDPRSA-N 2 2 339.524 1.972 20 0 EDADLP COc1ccccc1[C@@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000168915107 442225587 /nfs/dbraw/zinc/22/55/87/442225587.db2.gz DMVBBGGJPXBZCH-QGZVFWFLSA-N 2 2 335.492 1.736 20 0 EDADLP CSCC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000152557075 442226151 /nfs/dbraw/zinc/22/61/51/442226151.db2.gz UNJLZYHHBAYCJB-UHFFFAOYSA-N 2 2 343.537 1.433 20 0 EDADLP C[C@H](C[NH2+]C1CCN(C(=O)c2ccco2)CC1)C[NH+]1CCOCC1 ZINC000153352264 442277006 /nfs/dbraw/zinc/27/70/06/442277006.db2.gz PRKWZNPTUGDCQC-OAHLLOKOSA-N 2 2 335.448 1.442 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(OC(F)F)cc1 ZINC000129046780 442299408 /nfs/dbraw/zinc/29/94/08/442299408.db2.gz HVOCBWCUEVHSCZ-UHFFFAOYSA-N 2 2 327.375 1.494 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(OC(F)F)cc1 ZINC000129046780 442299412 /nfs/dbraw/zinc/29/94/12/442299412.db2.gz HVOCBWCUEVHSCZ-UHFFFAOYSA-N 2 2 327.375 1.494 20 0 EDADLP CCN(CC)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260224 442321753 /nfs/dbraw/zinc/32/17/53/442321753.db2.gz YJHQWBBTNPUVBM-UHFFFAOYSA-N 2 2 332.492 1.889 20 0 EDADLP CCN(CC)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260224 442321756 /nfs/dbraw/zinc/32/17/56/442321756.db2.gz YJHQWBBTNPUVBM-UHFFFAOYSA-N 2 2 332.492 1.889 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177362833 442332415 /nfs/dbraw/zinc/33/24/15/442332415.db2.gz DFZRJZNECOZACK-IAGOWNOFSA-N 2 2 349.479 1.414 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177362833 442332416 /nfs/dbraw/zinc/33/24/16/442332416.db2.gz DFZRJZNECOZACK-IAGOWNOFSA-N 2 2 349.479 1.414 20 0 EDADLP COc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000177154334 442306948 /nfs/dbraw/zinc/30/69/48/442306948.db2.gz NVOKULFGZNUVBI-UHFFFAOYSA-N 2 2 335.448 1.460 20 0 EDADLP C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000171644833 442366484 /nfs/dbraw/zinc/36/64/84/442366484.db2.gz QBJFFHPUFZCONP-HUUCEWRRSA-N 2 2 338.496 1.269 20 0 EDADLP C[N@@H+]1CCc2nc(NC(=O)c3ccnc(-n4cc[nH+]c4)c3)sc2C1 ZINC000155355234 442390268 /nfs/dbraw/zinc/39/02/68/442390268.db2.gz HINHVTIGEZAHCU-UHFFFAOYSA-N 2 2 340.412 1.964 20 0 EDADLP C[N@H+]1CCc2nc(NC(=O)c3ccnc(-n4cc[nH+]c4)c3)sc2C1 ZINC000155355234 442390272 /nfs/dbraw/zinc/39/02/72/442390272.db2.gz HINHVTIGEZAHCU-UHFFFAOYSA-N 2 2 340.412 1.964 20 0 EDADLP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCn1cc[nH+]c1 ZINC000130754583 442355710 /nfs/dbraw/zinc/35/57/10/442355710.db2.gz HMJKQSOTDIWYDN-UHFFFAOYSA-N 2 2 337.445 1.688 20 0 EDADLP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCn1cc[nH+]c1 ZINC000130754583 442355711 /nfs/dbraw/zinc/35/57/11/442355711.db2.gz HMJKQSOTDIWYDN-UHFFFAOYSA-N 2 2 337.445 1.688 20 0 EDADLP C[C@H](C(=O)NCC[NH+]1CCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000172100335 442409408 /nfs/dbraw/zinc/40/94/08/442409408.db2.gz BIPDBLJNPOJAQW-MRXNPFEDSA-N 2 2 348.466 1.548 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000178673187 442454741 /nfs/dbraw/zinc/45/47/41/442454741.db2.gz FIMUANJWSZAVDF-QGZVFWFLSA-N 2 2 331.460 1.872 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000178674097 442455001 /nfs/dbraw/zinc/45/50/01/442455001.db2.gz JTVWKFVHRSNDSK-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000178674097 442455005 /nfs/dbraw/zinc/45/50/05/442455005.db2.gz JTVWKFVHRSNDSK-UHFFFAOYSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1CC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156509408 442488187 /nfs/dbraw/zinc/48/81/87/442488187.db2.gz BDLPOEZXESKIMZ-GJZGRUSLSA-N 2 2 345.447 1.631 20 0 EDADLP C[C@H]1CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156509408 442488191 /nfs/dbraw/zinc/48/81/91/442488191.db2.gz BDLPOEZXESKIMZ-GJZGRUSLSA-N 2 2 345.447 1.631 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172576856 442495428 /nfs/dbraw/zinc/49/54/28/442495428.db2.gz WJYNETDFTUATGK-KRWDZBQOSA-N 2 2 333.480 1.329 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172576856 442495437 /nfs/dbraw/zinc/49/54/37/442495437.db2.gz WJYNETDFTUATGK-KRWDZBQOSA-N 2 2 333.480 1.329 20 0 EDADLP CC[C@@]1(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134597641 442498451 /nfs/dbraw/zinc/49/84/51/442498451.db2.gz DYILTZDQZULDRJ-HKUYNNGSSA-N 2 2 331.460 1.396 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cc(OC)c1 ZINC000178852638 442503607 /nfs/dbraw/zinc/50/36/07/442503607.db2.gz IGYHFYQOMSRVEV-MRXNPFEDSA-N 2 2 347.459 1.490 20 0 EDADLP COC(=O)[C@@H](C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC1 ZINC000191646244 442482846 /nfs/dbraw/zinc/48/28/46/442482846.db2.gz LBHQTFLEVQSUIA-CQSZACIVSA-N 2 2 347.463 1.144 20 0 EDADLP COC(=O)[C@@H](C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC1 ZINC000191646244 442482852 /nfs/dbraw/zinc/48/28/52/442482852.db2.gz LBHQTFLEVQSUIA-CQSZACIVSA-N 2 2 347.463 1.144 20 0 EDADLP COc1ccnc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000172754424 442534497 /nfs/dbraw/zinc/53/44/97/442534497.db2.gz HDHIIWPIODYEOI-UHFFFAOYSA-N 2 2 346.475 1.770 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000178887176 442514457 /nfs/dbraw/zinc/51/44/57/442514457.db2.gz SHFGXAGTZXWIKJ-UHFFFAOYSA-N 2 2 333.480 1.071 20 0 EDADLP CCC[N@@H+](CC(=O)OC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000172731880 442528193 /nfs/dbraw/zinc/52/81/93/442528193.db2.gz WINNIJOMTUFDQQ-HNNXBMFYSA-N 2 2 333.432 1.899 20 0 EDADLP CCC[N@H+](CC(=O)OC)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000172731880 442528196 /nfs/dbraw/zinc/52/81/96/442528196.db2.gz WINNIJOMTUFDQQ-HNNXBMFYSA-N 2 2 333.432 1.899 20 0 EDADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000172993485 442580527 /nfs/dbraw/zinc/58/05/27/442580527.db2.gz FRKZTTZUHCMVFZ-MRXNPFEDSA-N 2 2 330.457 1.859 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC2)cc(OC)c1 ZINC000192123525 442597833 /nfs/dbraw/zinc/59/78/33/442597833.db2.gz RWFFTFUKUKIQBY-ZIAGYGMSSA-N 2 2 335.448 1.331 20 0 EDADLP C[C@H]1COCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000192126369 442598653 /nfs/dbraw/zinc/59/86/53/442598653.db2.gz BIGJFZYEVPBLME-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCn2c(C)[nH+]c3ccccc32)C1(C)C ZINC000186728872 442602223 /nfs/dbraw/zinc/60/22/23/442602223.db2.gz NMKLPRNHKPHMAF-VQIMIIECSA-N 2 2 344.459 1.993 20 0 EDADLP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000192013287 442568401 /nfs/dbraw/zinc/56/84/01/442568401.db2.gz LKWHUSBHQBLCQH-JKSUJKDBSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000192013287 442568405 /nfs/dbraw/zinc/56/84/05/442568405.db2.gz LKWHUSBHQBLCQH-JKSUJKDBSA-N 2 2 325.497 1.819 20 0 EDADLP CC[N@H+](CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000135962732 442643936 /nfs/dbraw/zinc/64/39/36/442643936.db2.gz XRLCOQFRTXPDJH-UHFFFAOYSA-N 2 2 344.503 1.535 20 0 EDADLP CC[N@@H+](CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000135962732 442643939 /nfs/dbraw/zinc/64/39/39/442643939.db2.gz XRLCOQFRTXPDJH-UHFFFAOYSA-N 2 2 344.503 1.535 20 0 EDADLP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000135962732 442643942 /nfs/dbraw/zinc/64/39/42/442643942.db2.gz XRLCOQFRTXPDJH-UHFFFAOYSA-N 2 2 344.503 1.535 20 0 EDADLP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000135962732 442643943 /nfs/dbraw/zinc/64/39/43/442643943.db2.gz XRLCOQFRTXPDJH-UHFFFAOYSA-N 2 2 344.503 1.535 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1O ZINC000186825963 442617359 /nfs/dbraw/zinc/61/73/59/442617359.db2.gz VOALNMSLMWRDKT-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC[C@@H]1O ZINC000186825963 442617360 /nfs/dbraw/zinc/61/73/60/442617360.db2.gz VOALNMSLMWRDKT-ZBFHGGJFSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H](c1ccccn1)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179317976 442620443 /nfs/dbraw/zinc/62/04/43/442620443.db2.gz ZIKUFQGBKKZRCN-HNNXBMFYSA-N 2 2 333.480 1.810 20 0 EDADLP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181023841 442675219 /nfs/dbraw/zinc/67/52/19/442675219.db2.gz FCVKMMSPJJNJRD-HUUCEWRRSA-N 2 2 343.537 1.429 20 0 EDADLP CCO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1(C)C ZINC000181464364 442698457 /nfs/dbraw/zinc/69/84/57/442698457.db2.gz HKSUQPYZZVNBBE-IRXDYDNUSA-N 2 2 347.507 1.782 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)c1ccccc1 ZINC000188055552 442706179 /nfs/dbraw/zinc/70/61/79/442706179.db2.gz LSPMMYVULLICFN-RBUKOAKNSA-N 2 2 345.487 1.906 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)c1ccccc1 ZINC000188055552 442706182 /nfs/dbraw/zinc/70/61/82/442706182.db2.gz LSPMMYVULLICFN-RBUKOAKNSA-N 2 2 345.487 1.906 20 0 EDADLP CC(C)(C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000181828104 442718149 /nfs/dbraw/zinc/71/81/49/442718149.db2.gz YJDVWKVEAAJPMI-SFHVURJKSA-N 2 2 345.487 1.487 20 0 EDADLP COc1cc(OC)cc([C@H](NC(=O)CC[C@H](C)[NH3+])c2[nH+]ccn2C)c1 ZINC000193293494 442730707 /nfs/dbraw/zinc/73/07/07/442730707.db2.gz MCZPGMYOSFXHPW-SJCJKPOMSA-N 2 2 346.431 1.770 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)cn1 ZINC000182113367 442736893 /nfs/dbraw/zinc/73/68/93/442736893.db2.gz XSVUZPPMILERFV-GOSISDBHSA-N 2 2 341.459 1.637 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)cn1 ZINC000182113367 442736896 /nfs/dbraw/zinc/73/68/96/442736896.db2.gz XSVUZPPMILERFV-GOSISDBHSA-N 2 2 341.459 1.637 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186689 442743540 /nfs/dbraw/zinc/74/35/40/442743540.db2.gz BSLWHMBFMHGKRM-ZIAGYGMSSA-N 2 2 327.469 1.106 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186689 442743543 /nfs/dbraw/zinc/74/35/43/442743543.db2.gz BSLWHMBFMHGKRM-ZIAGYGMSSA-N 2 2 327.469 1.106 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186689 442743546 /nfs/dbraw/zinc/74/35/46/442743546.db2.gz BSLWHMBFMHGKRM-ZIAGYGMSSA-N 2 2 327.469 1.106 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186689 442743548 /nfs/dbraw/zinc/74/35/48/442743548.db2.gz BSLWHMBFMHGKRM-ZIAGYGMSSA-N 2 2 327.469 1.106 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000265597890 442839713 /nfs/dbraw/zinc/83/97/13/442839713.db2.gz LLDGCXLKHXLRDI-CQSZACIVSA-N 2 2 331.420 1.163 20 0 EDADLP CC[C@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[NH+](CC)CC ZINC000265599592 442840121 /nfs/dbraw/zinc/84/01/21/442840121.db2.gz MIMXAFBOHPNPSK-MRXNPFEDSA-N 2 2 334.464 1.655 20 0 EDADLP C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000182624041 318509356 /nfs/dbraw/zinc/50/93/56/318509356.db2.gz JTDBBJKTHWQNLU-ROUUACIJSA-N 2 2 347.507 1.395 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000183533415 442938351 /nfs/dbraw/zinc/93/83/51/442938351.db2.gz KXHDRVUIWMRTQC-UHFFFAOYSA-N 2 2 330.457 1.997 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000183533415 442938355 /nfs/dbraw/zinc/93/83/55/442938355.db2.gz KXHDRVUIWMRTQC-UHFFFAOYSA-N 2 2 330.457 1.997 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000189683535 442993721 /nfs/dbraw/zinc/99/37/21/442993721.db2.gz DSJUJWYVXWXPMD-HKUYNNGSSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000189683535 442993724 /nfs/dbraw/zinc/99/37/24/442993724.db2.gz DSJUJWYVXWXPMD-HKUYNNGSSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@H](NC(=O)CC(C)(C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000190096808 443056831 /nfs/dbraw/zinc/05/68/31/443056831.db2.gz BASJCIZDCDXWLI-AWEZNQCLSA-N 2 2 340.512 1.070 20 0 EDADLP CC[C@@]1(C)C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000190097444 443057121 /nfs/dbraw/zinc/05/71/21/443057121.db2.gz BMVANXSOEVOISL-LPHOPBHVSA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@@]1(C)C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000190097444 443057126 /nfs/dbraw/zinc/05/71/26/443057126.db2.gz BMVANXSOEVOISL-LPHOPBHVSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)C[N@H+]1C1CC1 ZINC000185098850 443135433 /nfs/dbraw/zinc/13/54/33/443135433.db2.gz BOWUAAAYCQDTSJ-HOCLYGCPSA-N 2 2 349.500 1.941 20 0 EDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237162855 443162073 /nfs/dbraw/zinc/16/20/73/443162073.db2.gz KQLNRJKWNUSCEF-LJQANCHMSA-N 2 2 344.503 1.263 20 0 EDADLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(=O)N1CCCCC1 ZINC000266714343 443216617 /nfs/dbraw/zinc/21/66/17/443216617.db2.gz GCSDIRUOCGXPGP-CQSZACIVSA-N 2 2 347.463 1.106 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@H]1CCCCO1 ZINC000269254441 443252426 /nfs/dbraw/zinc/25/24/26/443252426.db2.gz OFBVHMMBOYIBND-MSOLQXFVSA-N 2 2 342.443 1.487 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411689473 319195965 /nfs/dbraw/zinc/19/59/65/319195965.db2.gz FWGARMFSAYKYSG-HNNXBMFYSA-N 2 2 329.510 1.361 20 0 EDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411689473 319195968 /nfs/dbraw/zinc/19/59/68/319195968.db2.gz FWGARMFSAYKYSG-HNNXBMFYSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411689473 319195970 /nfs/dbraw/zinc/19/59/70/319195970.db2.gz FWGARMFSAYKYSG-HNNXBMFYSA-N 2 2 329.510 1.361 20 0 EDADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411689473 319195973 /nfs/dbraw/zinc/19/59/73/319195973.db2.gz FWGARMFSAYKYSG-HNNXBMFYSA-N 2 2 329.510 1.361 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)n1C ZINC000414376369 319324949 /nfs/dbraw/zinc/32/49/49/319324949.db2.gz HNWNLBFQVRSZLB-UHFFFAOYSA-N 2 2 340.424 1.189 20 0 EDADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000414775988 319343888 /nfs/dbraw/zinc/34/38/88/319343888.db2.gz WJDLYNMQDOWVIG-IBGZPJMESA-N 2 2 343.450 1.799 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000415685785 319363503 /nfs/dbraw/zinc/36/35/03/319363503.db2.gz CHSUPQRWTVBLBK-UHFFFAOYSA-N 2 2 342.399 1.059 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N(CC[NH3+])CCc2ccccc2)c(C)[nH+]1 ZINC000415691677 319363829 /nfs/dbraw/zinc/36/38/29/319363829.db2.gz LMPNFJSLINZKLR-UHFFFAOYSA-N 2 2 340.427 1.667 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCOc3ccccc3)CC2)CCO1 ZINC000191409083 443291573 /nfs/dbraw/zinc/29/15/73/443291573.db2.gz NYLOYAWLBFKMCL-GOSISDBHSA-N 2 2 333.476 1.404 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCOc3ccccc3)CC2)CCO1 ZINC000191409083 443291575 /nfs/dbraw/zinc/29/15/75/443291575.db2.gz NYLOYAWLBFKMCL-GOSISDBHSA-N 2 2 333.476 1.404 20 0 EDADLP CC(C)C[C@H](CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1)[NH+]1CCOCC1 ZINC000416942816 319481242 /nfs/dbraw/zinc/48/12/42/319481242.db2.gz SKCSEELCZDBGSB-NVXWUHKLSA-N 2 2 344.475 1.076 20 0 EDADLP C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000417515044 319496875 /nfs/dbraw/zinc/49/68/75/319496875.db2.gz CIQINYKSWHOPNC-OFQRWUPVSA-N 2 2 326.485 1.302 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278638636 443387253 /nfs/dbraw/zinc/38/72/53/443387253.db2.gz OSGFGCVTMDEKRA-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278638636 443387257 /nfs/dbraw/zinc/38/72/57/443387257.db2.gz OSGFGCVTMDEKRA-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278638636 443387260 /nfs/dbraw/zinc/38/72/60/443387260.db2.gz OSGFGCVTMDEKRA-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278638636 443387264 /nfs/dbraw/zinc/38/72/64/443387264.db2.gz OSGFGCVTMDEKRA-RTBURBONSA-N 2 2 345.487 1.830 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420369136 319611371 /nfs/dbraw/zinc/61/13/71/319611371.db2.gz OBGHQGZCQAMVDI-PBFPGSCMSA-N 2 2 333.432 1.778 20 0 EDADLP CN(C)c1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000267372503 443434980 /nfs/dbraw/zinc/43/49/80/443434980.db2.gz SEWVGVIFZPBVSL-UHFFFAOYSA-N 2 2 334.468 1.295 20 0 EDADLP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267390279 443440927 /nfs/dbraw/zinc/44/09/27/443440927.db2.gz NGEAIQGLTQVONA-HNNXBMFYSA-N 2 2 349.460 1.171 20 0 EDADLP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267390279 443440928 /nfs/dbraw/zinc/44/09/28/443440928.db2.gz NGEAIQGLTQVONA-HNNXBMFYSA-N 2 2 349.460 1.171 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)[NH+](C)C)cc1 ZINC000264732140 443396154 /nfs/dbraw/zinc/39/61/54/443396154.db2.gz NFXBZMWMTQFINI-QZTJIDSGSA-N 2 2 347.507 1.143 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)[NH+](C)C)cc1 ZINC000264732140 443396157 /nfs/dbraw/zinc/39/61/57/443396157.db2.gz NFXBZMWMTQFINI-QZTJIDSGSA-N 2 2 347.507 1.143 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000264739593 443399232 /nfs/dbraw/zinc/39/92/32/443399232.db2.gz TWRRKBWPRPTRDC-QGZVFWFLSA-N 2 2 333.476 1.706 20 0 EDADLP CO[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000272664859 443401854 /nfs/dbraw/zinc/40/18/54/443401854.db2.gz IQDDUGQFWAJLBK-GOSISDBHSA-N 2 2 333.476 1.859 20 0 EDADLP CO[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000272664859 443401860 /nfs/dbraw/zinc/40/18/60/443401860.db2.gz IQDDUGQFWAJLBK-GOSISDBHSA-N 2 2 333.476 1.859 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422729106 319733812 /nfs/dbraw/zinc/73/38/12/319733812.db2.gz BHSYHGDCGOLBEJ-CJNGLKHVSA-N 2 2 325.478 1.603 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000422968875 319742795 /nfs/dbraw/zinc/74/27/95/319742795.db2.gz SKMFXUCEYGSOSN-BMGDILEWSA-N 2 2 346.475 1.490 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1sccc1C[NH+](C)C ZINC000279073655 443509009 /nfs/dbraw/zinc/50/90/09/443509009.db2.gz FKHTWDGNPBISBY-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1sccc1C[NH+](C)C ZINC000279073655 443509013 /nfs/dbraw/zinc/50/90/13/443509013.db2.gz FKHTWDGNPBISBY-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP O=C1CCN(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000273029711 443524261 /nfs/dbraw/zinc/52/42/61/443524261.db2.gz DIBYTKKTHZRODJ-SFHVURJKSA-N 2 2 331.460 1.355 20 0 EDADLP O=C1CCN(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000273029711 443524264 /nfs/dbraw/zinc/52/42/64/443524264.db2.gz DIBYTKKTHZRODJ-SFHVURJKSA-N 2 2 331.460 1.355 20 0 EDADLP C[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423738687 319808762 /nfs/dbraw/zinc/80/87/62/319808762.db2.gz GJPHQHAPLFCGRV-YJBOKZPZSA-N 2 2 341.459 1.400 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+](C)CC1 ZINC000265140479 443547593 /nfs/dbraw/zinc/54/75/93/443547593.db2.gz VTMOCZYCMXCSJH-HNNXBMFYSA-N 2 2 327.432 1.238 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000274253590 443601383 /nfs/dbraw/zinc/60/13/83/443601383.db2.gz ZJRYFAMERHCBMX-MJGOQNOKSA-N 2 2 332.444 1.652 20 0 EDADLP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)C[NH+]1CCOCC1 ZINC000286146513 443655786 /nfs/dbraw/zinc/65/57/86/443655786.db2.gz PGCBNBRYPDNDDV-KGLIPLIRSA-N 2 2 333.432 1.636 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000440264583 320066805 /nfs/dbraw/zinc/06/68/05/320066805.db2.gz FXCLDWKEDIQKCH-INIZCTEOSA-N 2 2 348.491 1.795 20 0 EDADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449386391 320187209 /nfs/dbraw/zinc/18/72/09/320187209.db2.gz IBXWYAVULOSMKL-WMZOPIPTSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449386391 320187212 /nfs/dbraw/zinc/18/72/12/320187212.db2.gz IBXWYAVULOSMKL-WMZOPIPTSA-N 2 2 333.476 1.864 20 0 EDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449399056 320189189 /nfs/dbraw/zinc/18/91/89/320189189.db2.gz ZSEFGYIUOGLTBA-GXTWGEPZSA-N 2 2 345.285 1.471 20 0 EDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449399056 320189191 /nfs/dbraw/zinc/18/91/91/320189191.db2.gz ZSEFGYIUOGLTBA-GXTWGEPZSA-N 2 2 345.285 1.471 20 0 EDADLP C=Cn1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)cn1 ZINC000449498003 320192788 /nfs/dbraw/zinc/19/27/88/320192788.db2.gz KZUOFGOZZFPHJS-SFHVURJKSA-N 2 2 345.491 1.750 20 0 EDADLP C=Cn1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)cn1 ZINC000449498003 320192789 /nfs/dbraw/zinc/19/27/89/320192789.db2.gz KZUOFGOZZFPHJS-SFHVURJKSA-N 2 2 345.491 1.750 20 0 EDADLP C=Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cn1 ZINC000449498003 320192791 /nfs/dbraw/zinc/19/27/91/320192791.db2.gz KZUOFGOZZFPHJS-SFHVURJKSA-N 2 2 345.491 1.750 20 0 EDADLP C=Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cn1 ZINC000449498003 320192792 /nfs/dbraw/zinc/19/27/92/320192792.db2.gz KZUOFGOZZFPHJS-SFHVURJKSA-N 2 2 345.491 1.750 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000456526763 320309430 /nfs/dbraw/zinc/30/94/30/320309430.db2.gz IKAVOCJHMPVASR-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000456526763 320309432 /nfs/dbraw/zinc/30/94/32/320309432.db2.gz IKAVOCJHMPVASR-IEBWSBKVSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000458827457 320342446 /nfs/dbraw/zinc/34/24/46/320342446.db2.gz CDQGKSJLQLXJKF-CQSZACIVSA-N 2 2 349.479 1.516 20 0 EDADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000458827457 320342447 /nfs/dbraw/zinc/34/24/47/320342447.db2.gz CDQGKSJLQLXJKF-CQSZACIVSA-N 2 2 349.479 1.516 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000459329276 320347061 /nfs/dbraw/zinc/34/70/61/320347061.db2.gz YQIINWUBFSYFLN-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000459329276 320347062 /nfs/dbraw/zinc/34/70/62/320347062.db2.gz YQIINWUBFSYFLN-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000459329276 320347063 /nfs/dbraw/zinc/34/70/63/320347063.db2.gz YQIINWUBFSYFLN-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000459329276 320347064 /nfs/dbraw/zinc/34/70/64/320347064.db2.gz YQIINWUBFSYFLN-JKSUJKDBSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(=O)[nH]n1 ZINC000286292986 443684194 /nfs/dbraw/zinc/68/41/94/443684194.db2.gz WIHQGYQGLPIFKO-QILLFSRXSA-N 2 2 342.443 1.304 20 0 EDADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)[NH+]1CCCCCC1 ZINC000283695324 443691838 /nfs/dbraw/zinc/69/18/38/443691838.db2.gz ZHBNWUZZPQKDBF-OAHLLOKOSA-N 2 2 349.479 1.053 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000298202771 443719773 /nfs/dbraw/zinc/71/97/73/443719773.db2.gz HNGZRROGJLSBIA-UKRRQHHQSA-N 2 2 326.462 1.197 20 0 EDADLP COCC[NH2+]C1CCN(C(=O)NCc2cn3c(cccc3C)[nH+]2)CC1 ZINC000519706511 320471662 /nfs/dbraw/zinc/47/16/62/320471662.db2.gz QVGAAPPCXRQKPM-UHFFFAOYSA-N 2 2 345.447 1.553 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)n(C)c1C ZINC000290993223 443728763 /nfs/dbraw/zinc/72/87/63/443728763.db2.gz AGHYOUBTWDDCDI-INIZCTEOSA-N 2 2 349.475 1.664 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)n(C)c1C ZINC000290993223 443728765 /nfs/dbraw/zinc/72/87/65/443728765.db2.gz AGHYOUBTWDDCDI-INIZCTEOSA-N 2 2 349.475 1.664 20 0 EDADLP Cn1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000284735036 443786149 /nfs/dbraw/zinc/78/61/49/443786149.db2.gz WCJJVRPFWWWLIZ-YJBOKZPZSA-N 2 2 327.432 1.904 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCc3ccncc3)C2)CC1 ZINC000280976212 443787256 /nfs/dbraw/zinc/78/72/56/443787256.db2.gz KVGWPQAIRABCMR-SJLPKXTDSA-N 2 2 346.475 1.225 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](OCc3ccncc3)C2)CC1 ZINC000280976212 443787260 /nfs/dbraw/zinc/78/72/60/443787260.db2.gz KVGWPQAIRABCMR-SJLPKXTDSA-N 2 2 346.475 1.225 20 0 EDADLP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000298394507 443760673 /nfs/dbraw/zinc/76/06/73/443760673.db2.gz HLYYZXXZQCHWBG-HXUWFJFHSA-N 3 2 331.504 1.740 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000288236211 443815450 /nfs/dbraw/zinc/81/54/50/443815450.db2.gz FLIISKMDTOGWLG-GDBMZVCRSA-N 2 2 325.416 1.966 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534863371 320708247 /nfs/dbraw/zinc/70/82/47/320708247.db2.gz AGXMCHZUWBUZJJ-GFCCVEGCSA-N 2 2 331.420 1.335 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc2nccn21)C[N@@H+]1CCc2ccccc2C1 ZINC000293138580 443934453 /nfs/dbraw/zinc/93/44/53/443934453.db2.gz TZXRRZLRXJOVJD-LJQANCHMSA-N 2 2 336.439 1.843 20 0 EDADLP O[C@H](C[NH2+]Cc1cccc2nccn21)C[N@H+]1CCc2ccccc2C1 ZINC000293138580 443934457 /nfs/dbraw/zinc/93/44/57/443934457.db2.gz TZXRRZLRXJOVJD-LJQANCHMSA-N 2 2 336.439 1.843 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000285421031 443978483 /nfs/dbraw/zinc/97/84/83/443978483.db2.gz YEUMLJQJJSEMII-UKRRQHHQSA-N 2 2 345.447 1.064 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000285421031 443978484 /nfs/dbraw/zinc/97/84/84/443978484.db2.gz YEUMLJQJJSEMII-UKRRQHHQSA-N 2 2 345.447 1.064 20 0 EDADLP COC(=O)[C@@H](C)C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285476737 443999604 /nfs/dbraw/zinc/99/96/04/443999604.db2.gz BARKMWNCFCAWAQ-KRWDZBQOSA-N 2 2 333.476 1.940 20 0 EDADLP COC(=O)[C@@H](C)C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285476737 443999608 /nfs/dbraw/zinc/99/96/08/443999608.db2.gz BARKMWNCFCAWAQ-KRWDZBQOSA-N 2 2 333.476 1.940 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000288970751 444024769 /nfs/dbraw/zinc/02/47/69/444024769.db2.gz XDZCYWYDVSVTSJ-AEFFLSMTSA-N 2 2 347.507 1.052 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000288970751 444024773 /nfs/dbraw/zinc/02/47/73/444024773.db2.gz XDZCYWYDVSVTSJ-AEFFLSMTSA-N 2 2 347.507 1.052 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000288970751 444024777 /nfs/dbraw/zinc/02/47/77/444024777.db2.gz XDZCYWYDVSVTSJ-AEFFLSMTSA-N 2 2 347.507 1.052 20 0 EDADLP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000288970751 444024783 /nfs/dbraw/zinc/02/47/83/444024783.db2.gz XDZCYWYDVSVTSJ-AEFFLSMTSA-N 2 2 347.507 1.052 20 0 EDADLP CO[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000285717955 444083921 /nfs/dbraw/zinc/08/39/21/444083921.db2.gz PFBIRYYRSHHGII-KRWDZBQOSA-N 2 2 333.476 1.606 20 0 EDADLP CO[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000285717955 444083917 /nfs/dbraw/zinc/08/39/17/444083917.db2.gz PFBIRYYRSHHGII-KRWDZBQOSA-N 2 2 333.476 1.606 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)[C@@H](C[NH3+])C1 ZINC000557203034 321000873 /nfs/dbraw/zinc/00/08/73/321000873.db2.gz RNMNUBUDRAWBMR-OIISXLGYSA-N 2 2 334.439 1.746 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)[C@@H](C[NH3+])C1 ZINC000557203034 321000874 /nfs/dbraw/zinc/00/08/74/321000874.db2.gz RNMNUBUDRAWBMR-OIISXLGYSA-N 2 2 334.439 1.746 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000561902681 321044732 /nfs/dbraw/zinc/04/47/32/321044732.db2.gz WOOQTFWYVCHHOZ-UKRRQHHQSA-N 2 2 349.479 1.358 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000561902681 321044733 /nfs/dbraw/zinc/04/47/33/321044733.db2.gz WOOQTFWYVCHHOZ-UKRRQHHQSA-N 2 2 349.479 1.358 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3C(=O)NCC[C@@H]3C)c2cc1C ZINC000562515562 321060659 /nfs/dbraw/zinc/06/06/59/321060659.db2.gz OHXJGHZHVMZFEI-FABXCBLPSA-N 2 2 330.432 1.128 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000562956772 321083361 /nfs/dbraw/zinc/08/33/61/321083361.db2.gz FYCGGGNKRDTZLL-MFKMUULPSA-N 2 2 349.859 1.345 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000563369417 321106125 /nfs/dbraw/zinc/10/61/25/321106125.db2.gz FHJMUDDOCNOOTL-MRXNPFEDSA-N 2 2 338.883 1.306 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000563393481 321108041 /nfs/dbraw/zinc/10/80/41/321108041.db2.gz HDAVKWROBIKLBA-OAHLLOKOSA-N 2 2 331.464 1.241 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000563393481 321108042 /nfs/dbraw/zinc/10/80/42/321108042.db2.gz HDAVKWROBIKLBA-OAHLLOKOSA-N 2 2 331.464 1.241 20 0 EDADLP C[NH+](Cc1ncccn1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000563393481 321108043 /nfs/dbraw/zinc/10/80/43/321108043.db2.gz HDAVKWROBIKLBA-OAHLLOKOSA-N 2 2 331.464 1.241 20 0 EDADLP C[NH+](Cc1ncccn1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000563393481 321108044 /nfs/dbraw/zinc/10/80/44/321108044.db2.gz HDAVKWROBIKLBA-OAHLLOKOSA-N 2 2 331.464 1.241 20 0 EDADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000563942581 321116875 /nfs/dbraw/zinc/11/68/75/321116875.db2.gz PAHWNFXCQQTOFH-HNNXBMFYSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000563942581 321116877 /nfs/dbraw/zinc/11/68/77/321116877.db2.gz PAHWNFXCQQTOFH-HNNXBMFYSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3nncn3C)c2cc1C ZINC000564698605 321142562 /nfs/dbraw/zinc/14/25/62/321142562.db2.gz ZGMQFZKDFRNPAF-ZIAGYGMSSA-N 2 2 328.420 1.493 20 0 EDADLP COc1cccc2c1C[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000564860617 321152606 /nfs/dbraw/zinc/15/26/06/321152606.db2.gz RZCJKWAVISVTRG-YALNPMBYSA-N 2 2 334.460 1.222 20 0 EDADLP COc1cccc2c1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000564860617 321152607 /nfs/dbraw/zinc/15/26/07/321152607.db2.gz RZCJKWAVISVTRG-YALNPMBYSA-N 2 2 334.460 1.222 20 0 EDADLP Cc1ccc(-c2cnc(CCC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])o2)cc1 ZINC000564944051 321159180 /nfs/dbraw/zinc/15/91/80/321159180.db2.gz HLCXPMJUBXIGLA-INIZCTEOSA-N 2 2 342.443 1.684 20 0 EDADLP Cc1ccc(-c2cnc(CCC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])o2)cc1 ZINC000564944051 321159181 /nfs/dbraw/zinc/15/91/81/321159181.db2.gz HLCXPMJUBXIGLA-INIZCTEOSA-N 2 2 342.443 1.684 20 0 EDADLP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565167415 321171977 /nfs/dbraw/zinc/17/19/77/321171977.db2.gz XQFHEILQDYMEPV-AWEZNQCLSA-N 2 2 343.431 1.876 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000565693189 321197764 /nfs/dbraw/zinc/19/77/64/321197764.db2.gz JQYILWBNTLCWPR-OWCLPIDISA-N 2 2 348.516 1.945 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000565693189 321197765 /nfs/dbraw/zinc/19/77/65/321197765.db2.gz JQYILWBNTLCWPR-OWCLPIDISA-N 2 2 348.516 1.945 20 0 EDADLP c1c[nH+]c(N2CCCC2)c(O[C@H]2CC[N@@H+](CCC3OCCO3)C2)c1 ZINC000289299350 444100483 /nfs/dbraw/zinc/10/04/83/444100483.db2.gz IBXKNTBAUWSLGM-HNNXBMFYSA-N 2 2 333.432 1.898 20 0 EDADLP c1c[nH+]c(N2CCCC2)c(O[C@H]2CC[N@H+](CCC3OCCO3)C2)c1 ZINC000289299350 444100487 /nfs/dbraw/zinc/10/04/87/444100487.db2.gz IBXKNTBAUWSLGM-HNNXBMFYSA-N 2 2 333.432 1.898 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC000568849601 321308610 /nfs/dbraw/zinc/30/86/10/321308610.db2.gz MTLVBBZFTFVTKN-INMHGKMJSA-N 2 2 339.505 1.424 20 0 EDADLP COC[C@@]1(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[NH2+]C1 ZINC000568999290 321314153 /nfs/dbraw/zinc/31/41/53/321314153.db2.gz YOTLHNLNAAUXPQ-LJQANCHMSA-N 2 2 342.443 1.693 20 0 EDADLP CC[NH+]1CCN(c2ccc(CNC(=O)C[NH+]3CC(C)(C)C3)cn2)CC1 ZINC000569470789 321326402 /nfs/dbraw/zinc/32/64/02/321326402.db2.gz OVPHFDLMVZPKAG-UHFFFAOYSA-N 2 2 345.491 1.182 20 0 EDADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000570708585 321354851 /nfs/dbraw/zinc/35/48/51/321354851.db2.gz BOGZAYCRLVZVGS-BZSNNMDCSA-N 3 2 339.524 1.611 20 0 EDADLP Cn1c2ccc(NC[C@@H](O)C[NH+]3CCOCC3)cc2[nH+]c1C(C)(C)C ZINC000571040945 321369441 /nfs/dbraw/zinc/36/94/41/321369441.db2.gz VICDDJHNUHOMSG-OAHLLOKOSA-N 2 2 346.475 1.976 20 0 EDADLP Cc1nc2sccn2c(=O)c1CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000285785652 444107167 /nfs/dbraw/zinc/10/71/67/444107167.db2.gz XPRFGKBIRHLXBD-UHFFFAOYSA-N 2 2 331.445 1.826 20 0 EDADLP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000285785652 444107169 /nfs/dbraw/zinc/10/71/69/444107169.db2.gz XPRFGKBIRHLXBD-UHFFFAOYSA-N 2 2 331.445 1.826 20 0 EDADLP Cc1cc(N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c2ccccc2[nH+]1 ZINC000282331781 444150304 /nfs/dbraw/zinc/15/03/04/444150304.db2.gz VBVPXWMLMFEAMW-CQSZACIVSA-N 2 2 328.416 1.166 20 0 EDADLP Cc1cc(N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c2ccccc2[nH+]1 ZINC000282331781 444150308 /nfs/dbraw/zinc/15/03/08/444150308.db2.gz VBVPXWMLMFEAMW-CQSZACIVSA-N 2 2 328.416 1.166 20 0 EDADLP C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289541499 444167963 /nfs/dbraw/zinc/16/79/63/444167963.db2.gz WTBCMBOLSLQYKL-HNNXBMFYSA-N 2 2 345.491 1.949 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1)C1CC1 ZINC000289575313 444175582 /nfs/dbraw/zinc/17/55/82/444175582.db2.gz QTHJWVNJAYEAIG-ZDUSSCGKSA-N 2 2 340.855 1.428 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1)C1CC1 ZINC000289575313 444175584 /nfs/dbraw/zinc/17/55/84/444175584.db2.gz QTHJWVNJAYEAIG-ZDUSSCGKSA-N 2 2 340.855 1.428 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301517136 444176683 /nfs/dbraw/zinc/17/66/83/444176683.db2.gz DATWAWDCZXAFOG-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301517136 444176686 /nfs/dbraw/zinc/17/66/86/444176686.db2.gz DATWAWDCZXAFOG-CVEARBPZSA-N 2 2 333.480 1.972 20 0 EDADLP C[N@H+](C[C@H](O)CN1CCc2c([nH+]cn2-c2ccccc2)C1)C1CC1 ZINC000289594755 444178552 /nfs/dbraw/zinc/17/85/52/444178552.db2.gz SKAJOYAIQNAAEF-KRWDZBQOSA-N 2 2 326.444 1.686 20 0 EDADLP C[N@@H+](C[C@H](O)CN1CCc2c([nH+]cn2-c2ccccc2)C1)C1CC1 ZINC000289594755 444178554 /nfs/dbraw/zinc/17/85/54/444178554.db2.gz SKAJOYAIQNAAEF-KRWDZBQOSA-N 2 2 326.444 1.686 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301562536 444179845 /nfs/dbraw/zinc/17/98/45/444179845.db2.gz YGAIPUOBAKQEPT-CVEARBPZSA-N 2 2 333.480 1.829 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000301562536 444179850 /nfs/dbraw/zinc/17/98/50/444179850.db2.gz YGAIPUOBAKQEPT-CVEARBPZSA-N 2 2 333.480 1.829 20 0 EDADLP Cc1ccccc1-n1cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)nn1 ZINC000289636839 444184703 /nfs/dbraw/zinc/18/47/03/444184703.db2.gz GSGKGGRHNCJMPW-HNNXBMFYSA-N 2 2 329.448 1.634 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000289641329 444185176 /nfs/dbraw/zinc/18/51/76/444185176.db2.gz LAZJKLOVZBBJGC-QGZVFWFLSA-N 2 2 337.489 1.823 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000289641329 444185179 /nfs/dbraw/zinc/18/51/79/444185179.db2.gz LAZJKLOVZBBJGC-QGZVFWFLSA-N 2 2 337.489 1.823 20 0 EDADLP CC(=O)Nc1cccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000576230998 321548968 /nfs/dbraw/zinc/54/89/68/321548968.db2.gz WARUQNDJKLVLEE-UHFFFAOYSA-N 2 2 331.460 1.972 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000302740403 444222440 /nfs/dbraw/zinc/22/24/40/444222440.db2.gz QHRSZPVMDCALES-GVDBMIGSSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000302740403 444222443 /nfs/dbraw/zinc/22/24/43/444222443.db2.gz QHRSZPVMDCALES-GVDBMIGSSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000302740403 444222444 /nfs/dbraw/zinc/22/24/44/444222444.db2.gz QHRSZPVMDCALES-GVDBMIGSSA-N 2 2 345.491 1.606 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000302740403 444222447 /nfs/dbraw/zinc/22/24/47/444222447.db2.gz QHRSZPVMDCALES-GVDBMIGSSA-N 2 2 345.491 1.606 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000302091790 444203771 /nfs/dbraw/zinc/20/37/71/444203771.db2.gz HHBANSDNTWBKNU-CVEARBPZSA-N 2 2 331.464 1.502 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000302091792 444203785 /nfs/dbraw/zinc/20/37/85/444203785.db2.gz HHBANSDNTWBKNU-HOTGVXAUSA-N 2 2 331.464 1.502 20 0 EDADLP O=C(C[NH2+]C1(CO)CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000305223263 444266287 /nfs/dbraw/zinc/26/62/87/444266287.db2.gz JYDZYSAXIREAPW-UHFFFAOYSA-N 2 2 337.489 1.287 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc4c3OCO4)CC2)CC1 ZINC000289979930 444226342 /nfs/dbraw/zinc/22/63/42/444226342.db2.gz ZTDJVVOIXTXGKI-UHFFFAOYSA-N 2 2 345.443 1.401 20 0 EDADLP Cn1ncc2c1nc(NCCC[N@@H+]1CCc3ccccc3C1)[nH+]c2N ZINC000302865128 444228119 /nfs/dbraw/zinc/22/81/19/444228119.db2.gz XTQDPBXJLYRSRO-UHFFFAOYSA-N 2 2 337.431 1.806 20 0 EDADLP Cn1ncc2c1nc(NCCC[N@H+]1CCc3ccccc3C1)[nH+]c2N ZINC000302865128 444228123 /nfs/dbraw/zinc/22/81/23/444228123.db2.gz XTQDPBXJLYRSRO-UHFFFAOYSA-N 2 2 337.431 1.806 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000290005786 444229419 /nfs/dbraw/zinc/22/94/19/444229419.db2.gz CLJPBVZFRPTTKW-YOEHRIQHSA-N 2 2 332.448 1.799 20 0 EDADLP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290082181 444239732 /nfs/dbraw/zinc/23/97/32/444239732.db2.gz VCWVFIBLTKUULT-GOSISDBHSA-N 2 2 333.476 1.665 20 0 EDADLP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290082181 444239734 /nfs/dbraw/zinc/23/97/34/444239734.db2.gz VCWVFIBLTKUULT-GOSISDBHSA-N 2 2 333.476 1.665 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290082181 444239736 /nfs/dbraw/zinc/23/97/36/444239736.db2.gz VCWVFIBLTKUULT-GOSISDBHSA-N 2 2 333.476 1.665 20 0 EDADLP CC[NH+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290082181 444239737 /nfs/dbraw/zinc/23/97/37/444239737.db2.gz VCWVFIBLTKUULT-GOSISDBHSA-N 2 2 333.476 1.665 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000297597920 444306493 /nfs/dbraw/zinc/30/64/93/444306493.db2.gz QEKBQOKJHLEYBF-INIZCTEOSA-N 2 2 341.459 1.518 20 0 EDADLP C[N@H+]1CCN(CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1(C)C ZINC000290517586 444290468 /nfs/dbraw/zinc/29/04/68/444290468.db2.gz YSVISXRZKACFBV-INIZCTEOSA-N 2 2 328.464 1.510 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@@H+](C2CC2)C1 ZINC000297901179 444353116 /nfs/dbraw/zinc/35/31/16/444353116.db2.gz SIQXUJPASWQQEG-CQSZACIVSA-N 2 2 327.432 1.960 20 0 EDADLP C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[N@H+](C2CC2)C1 ZINC000297901179 444353119 /nfs/dbraw/zinc/35/31/19/444353119.db2.gz SIQXUJPASWQQEG-CQSZACIVSA-N 2 2 327.432 1.960 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCC1)c1c(F)cccc1F ZINC000337725148 444376175 /nfs/dbraw/zinc/37/61/75/444376175.db2.gz LODLZFPMSWROSI-AWEZNQCLSA-N 2 2 326.391 1.572 20 0 EDADLP CCOc1ccccc1NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000325437157 444366227 /nfs/dbraw/zinc/36/62/27/444366227.db2.gz DPRLZIKBQSPSCY-UHFFFAOYSA-N 2 2 335.448 1.854 20 0 EDADLP Cc1c[nH]c(-c2ccccc2NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[nH+]1 ZINC000578750604 321824093 /nfs/dbraw/zinc/82/40/93/321824093.db2.gz SWJKYLAVQFNFKH-HNNXBMFYSA-N 2 2 341.415 1.582 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCCO1 ZINC000340507903 444416091 /nfs/dbraw/zinc/41/60/91/444416091.db2.gz GZCJMQSYXLRIOB-OAGGEKHMSA-N 2 2 332.510 1.433 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCCO1 ZINC000340507903 444416096 /nfs/dbraw/zinc/41/60/96/444416096.db2.gz GZCJMQSYXLRIOB-OAGGEKHMSA-N 2 2 332.510 1.433 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000337949216 444468187 /nfs/dbraw/zinc/46/81/87/444468187.db2.gz GBWTYHSWESLCCA-LZLYRXPVSA-N 2 2 331.460 1.596 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)C1 ZINC000337949216 444468188 /nfs/dbraw/zinc/46/81/88/444468188.db2.gz GBWTYHSWESLCCA-LZLYRXPVSA-N 2 2 331.460 1.596 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)C1 ZINC000328699489 444433987 /nfs/dbraw/zinc/43/39/87/444433987.db2.gz MGWCEOGQCXMWHF-CRAIPNDOSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C2)C1 ZINC000328699489 444433990 /nfs/dbraw/zinc/43/39/90/444433990.db2.gz MGWCEOGQCXMWHF-CRAIPNDOSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)C2)C1 ZINC000328699489 444433992 /nfs/dbraw/zinc/43/39/92/444433992.db2.gz MGWCEOGQCXMWHF-CRAIPNDOSA-N 2 2 331.464 1.360 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C2)C1 ZINC000328725956 444442063 /nfs/dbraw/zinc/44/20/63/444442063.db2.gz ZJMYWFHGXPBJLE-APWZRJJASA-N 2 2 345.491 1.750 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C2)C1 ZINC000328725956 444442066 /nfs/dbraw/zinc/44/20/66/444442066.db2.gz ZJMYWFHGXPBJLE-APWZRJJASA-N 2 2 345.491 1.750 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)C2)C1 ZINC000328725956 444442068 /nfs/dbraw/zinc/44/20/68/444442068.db2.gz ZJMYWFHGXPBJLE-APWZRJJASA-N 2 2 345.491 1.750 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)C2)C1 ZINC000328725956 444442071 /nfs/dbraw/zinc/44/20/71/444442071.db2.gz ZJMYWFHGXPBJLE-APWZRJJASA-N 2 2 345.491 1.750 20 0 EDADLP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340712523 444485567 /nfs/dbraw/zinc/48/55/67/444485567.db2.gz LINXZXYMJPDYIA-INIZCTEOSA-N 2 2 341.459 1.762 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000332035035 444496894 /nfs/dbraw/zinc/49/68/94/444496894.db2.gz JGYFIGWCPINIIP-CQSZACIVSA-N 2 2 330.432 1.260 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000332035035 444496896 /nfs/dbraw/zinc/49/68/96/444496896.db2.gz JGYFIGWCPINIIP-CQSZACIVSA-N 2 2 330.432 1.260 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000580053108 322002116 /nfs/dbraw/zinc/00/21/16/322002116.db2.gz XKIOOAMSARAZAS-UHFFFAOYSA-N 2 2 331.464 1.415 20 0 EDADLP C[NH+](C)CCn1ccc(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)n1 ZINC000580092993 322009306 /nfs/dbraw/zinc/00/93/06/322009306.db2.gz WJHPDRWTOZZEPZ-UHFFFAOYSA-N 2 2 338.415 1.765 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000580172591 322017781 /nfs/dbraw/zinc/01/77/81/322017781.db2.gz IJZQOVWWMPNZPI-HOCLYGCPSA-N 2 2 325.416 1.623 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)ccc2n1C ZINC000580188050 322020360 /nfs/dbraw/zinc/02/03/60/322020360.db2.gz LKSXCZMFWVNBBY-ZDUSSCGKSA-N 2 2 339.403 1.650 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)NCCOCC[NH+](C)C)C(F)(F)F ZINC000580209706 322024206 /nfs/dbraw/zinc/02/42/06/322024206.db2.gz FBSNXIIURBIELD-NSHDSACASA-N 2 2 336.358 1.151 20 0 EDADLP O=C(C[C@H]1COCC[NH2+]1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000580831764 322101185 /nfs/dbraw/zinc/10/11/85/322101185.db2.gz IBITXXAIFYSJIV-HNNXBMFYSA-N 2 2 342.443 1.723 20 0 EDADLP Cc1nnc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000580884378 322107575 /nfs/dbraw/zinc/10/75/75/322107575.db2.gz CFJMMPACJUOJDS-ZIAGYGMSSA-N 2 2 338.452 1.468 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000581080006 322133706 /nfs/dbraw/zinc/13/37/06/322133706.db2.gz JFDCRVWETPIZSL-YQVWRLOYSA-N 2 2 345.487 1.732 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[NH+]1CC(C)C1 ZINC000581080006 322133709 /nfs/dbraw/zinc/13/37/09/322133709.db2.gz JFDCRVWETPIZSL-YQVWRLOYSA-N 2 2 345.487 1.732 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)ccc2n1C ZINC000581179099 322145065 /nfs/dbraw/zinc/14/50/65/322145065.db2.gz IMMGNSOLZSKITF-ADLMAVQZSA-N 2 2 343.431 1.264 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000581584512 322194742 /nfs/dbraw/zinc/19/47/42/322194742.db2.gz AEEROQKJDYPQLX-OWCLPIDISA-N 2 2 332.448 1.133 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CO1 ZINC000581610575 322199212 /nfs/dbraw/zinc/19/92/12/322199212.db2.gz UPFNEUZQZKCZRQ-XYPHTWIQSA-N 2 2 328.416 1.095 20 0 EDADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000581662474 322205346 /nfs/dbraw/zinc/20/53/46/322205346.db2.gz LHHXHVYJVWPKPG-MAPXSJPWSA-N 2 2 348.487 1.858 20 0 EDADLP CC(C)[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](C)O ZINC000340771298 444505120 /nfs/dbraw/zinc/50/51/20/444505120.db2.gz NVVRNZNFDSGYTN-MRXNPFEDSA-N 2 2 349.475 1.549 20 0 EDADLP CC(C)[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H](C)O ZINC000340771298 444505124 /nfs/dbraw/zinc/50/51/24/444505124.db2.gz NVVRNZNFDSGYTN-MRXNPFEDSA-N 2 2 349.475 1.549 20 0 EDADLP COc1cc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1Cl ZINC000581716190 322212515 /nfs/dbraw/zinc/21/25/15/322212515.db2.gz QTSVKZKNBDWFSZ-CYBMUJFWSA-N 2 2 340.855 1.175 20 0 EDADLP COc1cc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1Cl ZINC000581716190 322212516 /nfs/dbraw/zinc/21/25/16/322212516.db2.gz QTSVKZKNBDWFSZ-CYBMUJFWSA-N 2 2 340.855 1.175 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332280410 444508254 /nfs/dbraw/zinc/50/82/54/444508254.db2.gz HWVYFWWBQUILJI-CVEARBPZSA-N 2 2 339.480 1.347 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000332280410 444508257 /nfs/dbraw/zinc/50/82/57/444508257.db2.gz HWVYFWWBQUILJI-CVEARBPZSA-N 2 2 339.480 1.347 20 0 EDADLP CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000343706176 444532374 /nfs/dbraw/zinc/53/23/74/444532374.db2.gz IMDHMTWEAITGJE-HNNXBMFYSA-N 2 2 334.464 1.212 20 0 EDADLP CC[N@@H+](CC(C)(C)O)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000343706176 444532378 /nfs/dbraw/zinc/53/23/78/444532378.db2.gz IMDHMTWEAITGJE-HNNXBMFYSA-N 2 2 334.464 1.212 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000338160651 444541363 /nfs/dbraw/zinc/54/13/63/444541363.db2.gz VBMGXCAUGNUXGJ-MRXNPFEDSA-N 2 2 337.439 1.655 20 0 EDADLP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000338164163 444542861 /nfs/dbraw/zinc/54/28/61/444542861.db2.gz DTIUTDVRALCIQN-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000338164163 444542865 /nfs/dbraw/zinc/54/28/65/444542865.db2.gz DTIUTDVRALCIQN-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC(F)(F)F ZINC000340862921 444548531 /nfs/dbraw/zinc/54/85/31/444548531.db2.gz PQJBJXIGBQLLEX-UHFFFAOYSA-N 2 2 345.431 1.226 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC(F)(F)F ZINC000340862921 444548534 /nfs/dbraw/zinc/54/85/34/444548534.db2.gz PQJBJXIGBQLLEX-UHFFFAOYSA-N 2 2 345.431 1.226 20 0 EDADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343791560 444594405 /nfs/dbraw/zinc/59/44/05/444594405.db2.gz DMQROMKBHFWSMW-ZDUSSCGKSA-N 2 2 333.423 1.048 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nc(C(F)(F)F)cs1 ZINC000343858438 444631947 /nfs/dbraw/zinc/63/19/47/444631947.db2.gz KEOZCQIUTIEHKV-SECBINFHSA-N 2 2 336.383 1.587 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000332984053 444620150 /nfs/dbraw/zinc/62/01/50/444620150.db2.gz SONLRNYRGFHKJI-UXLLHSPISA-N 2 2 343.475 1.856 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000332984053 444620154 /nfs/dbraw/zinc/62/01/54/444620154.db2.gz SONLRNYRGFHKJI-UXLLHSPISA-N 2 2 343.475 1.856 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C1CCS(=O)(=O)CC1)C2 ZINC000329631528 444656729 /nfs/dbraw/zinc/65/67/29/444656729.db2.gz RKVSJTUENUJSRX-ZDUSSCGKSA-N 2 2 325.478 1.662 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343971538 444702206 /nfs/dbraw/zinc/70/22/06/444702206.db2.gz FRTPZNZJSMPOHS-SOLBZPMBSA-N 2 2 338.540 1.638 20 0 EDADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343971538 444702211 /nfs/dbraw/zinc/70/22/11/444702211.db2.gz FRTPZNZJSMPOHS-SOLBZPMBSA-N 2 2 338.540 1.638 20 0 EDADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000343988195 444710976 /nfs/dbraw/zinc/71/09/76/444710976.db2.gz YSTGFMGNCKQIBU-KBPBESRZSA-N 2 2 327.494 1.928 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3nnnn3C(C)(C)C)CC2)CC1 ZINC000329770983 444711121 /nfs/dbraw/zinc/71/11/21/444711121.db2.gz JIIAKIPRQCHXPU-UHFFFAOYSA-N 2 2 349.527 1.419 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)[nH+]cn2)C1 ZINC000333896961 444712079 /nfs/dbraw/zinc/71/20/79/444712079.db2.gz YLKUNJVKZIGVSI-IKGGRYGDSA-N 2 2 345.491 1.511 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc[nH+]2)C1 ZINC000333896961 444712080 /nfs/dbraw/zinc/71/20/80/444712080.db2.gz YLKUNJVKZIGVSI-IKGGRYGDSA-N 2 2 345.491 1.511 20 0 EDADLP Cn1ccnc1[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CC1 ZINC000343992128 444713552 /nfs/dbraw/zinc/71/35/52/444713552.db2.gz RJBMFOMCIVDPTN-KRWDZBQOSA-N 2 2 329.448 1.996 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000342491442 444714242 /nfs/dbraw/zinc/71/42/42/444714242.db2.gz PIECPKWBBJZFLB-MRXNPFEDSA-N 3 2 325.497 1.726 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccnc(N(C)C)n2)CC1 ZINC000341184860 444715851 /nfs/dbraw/zinc/71/58/51/444715851.db2.gz XNBCDMCPLRPNPJ-IAGOWNOFSA-N 2 2 346.523 1.533 20 0 EDADLP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000333928926 444720766 /nfs/dbraw/zinc/72/07/66/444720766.db2.gz XWHKDANHFYHYJK-KZNAEPCWSA-N 2 2 343.475 1.297 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@H+](C)CCc1ccnn1C ZINC000338562107 444748540 /nfs/dbraw/zinc/74/85/40/444748540.db2.gz BCXZBVBWGZFURC-ZBFHGGJFSA-N 2 2 334.443 1.241 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[N@@H+](C)CCc1ccnn1C ZINC000338562107 444748545 /nfs/dbraw/zinc/74/85/45/444748545.db2.gz BCXZBVBWGZFURC-ZBFHGGJFSA-N 2 2 334.443 1.241 20 0 EDADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000344100598 444781655 /nfs/dbraw/zinc/78/16/55/444781655.db2.gz NJCPKVUQHTYZJZ-OAHLLOKOSA-N 2 2 342.509 1.655 20 0 EDADLP CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000344100598 444781657 /nfs/dbraw/zinc/78/16/57/444781657.db2.gz NJCPKVUQHTYZJZ-OAHLLOKOSA-N 2 2 342.509 1.655 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)c1cccc(F)c1 ZINC000342697645 444821007 /nfs/dbraw/zinc/82/10/07/444821007.db2.gz SQWPTLXNSIWGTB-KBPBESRZSA-N 2 2 329.366 1.789 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330000448 444805882 /nfs/dbraw/zinc/80/58/82/444805882.db2.gz WKUKAKFHIPXPPO-KDOFPFPSSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000330000448 444805885 /nfs/dbraw/zinc/80/58/85/444805885.db2.gz WKUKAKFHIPXPPO-KDOFPFPSSA-N 2 2 328.416 1.956 20 0 EDADLP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@H](C)O1 ZINC000342692680 444817667 /nfs/dbraw/zinc/81/76/67/444817667.db2.gz KOEOPKSCTMWKEE-HZSPNIEDSA-N 2 2 333.423 1.237 20 0 EDADLP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@H](C)O1 ZINC000342692680 444817670 /nfs/dbraw/zinc/81/76/70/444817670.db2.gz KOEOPKSCTMWKEE-HZSPNIEDSA-N 2 2 333.423 1.237 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000342695156 444819634 /nfs/dbraw/zinc/81/96/34/444819634.db2.gz OWKDZNMGECHCLH-UHOSZYNNSA-N 2 2 345.487 1.434 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000344108707 444785610 /nfs/dbraw/zinc/78/56/10/444785610.db2.gz DGQUCNHVPWXRIA-LBDPXKHJSA-N 2 2 325.522 1.660 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000344108707 444785617 /nfs/dbraw/zinc/78/56/17/444785617.db2.gz DGQUCNHVPWXRIA-LBDPXKHJSA-N 2 2 325.522 1.660 20 0 EDADLP C[C@H]1C[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[N@@H+]1C ZINC000344182689 444825926 /nfs/dbraw/zinc/82/59/26/444825926.db2.gz HQQXVAZEHLVBEE-ZWKOTPCHSA-N 2 2 345.487 1.940 20 0 EDADLP C[C@H]1C[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC[N@H+]1C ZINC000344182689 444825928 /nfs/dbraw/zinc/82/59/28/444825928.db2.gz HQQXVAZEHLVBEE-ZWKOTPCHSA-N 2 2 345.487 1.940 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000341435000 444829640 /nfs/dbraw/zinc/82/96/40/444829640.db2.gz SUMUGBQMMSPFHV-BBWFWOEESA-N 2 2 338.496 1.365 20 0 EDADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[NH+](CCc2cccs2)CC1 ZINC000342764235 444854937 /nfs/dbraw/zinc/85/49/37/444854937.db2.gz GRRBSPHPBJHZAX-CQSZACIVSA-N 2 2 343.443 1.680 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000341594826 444913116 /nfs/dbraw/zinc/91/31/16/444913116.db2.gz UFKOULOMTKJJRL-QBPKDAKJSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000341594826 444913117 /nfs/dbraw/zinc/91/31/17/444913117.db2.gz UFKOULOMTKJJRL-QBPKDAKJSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000341594826 444913118 /nfs/dbraw/zinc/91/31/18/444913118.db2.gz UFKOULOMTKJJRL-QBPKDAKJSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC000341594826 444913119 /nfs/dbraw/zinc/91/31/19/444913119.db2.gz UFKOULOMTKJJRL-QBPKDAKJSA-N 2 2 338.496 1.221 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000341626313 444924899 /nfs/dbraw/zinc/92/48/99/444924899.db2.gz YEJYJLIGWRHQNE-JKSUJKDBSA-N 2 2 331.464 1.704 20 0 EDADLP COC(=O)[C@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H](C)O1 ZINC000338960440 444954495 /nfs/dbraw/zinc/95/44/95/444954495.db2.gz KCYBHFJYOIYXPO-MLGOLLRUSA-N 2 2 330.388 1.338 20 0 EDADLP COC(=O)[C@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H](C)O1 ZINC000338960440 444954501 /nfs/dbraw/zinc/95/45/01/444954501.db2.gz KCYBHFJYOIYXPO-MLGOLLRUSA-N 2 2 330.388 1.338 20 0 EDADLP c1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nnn1-c1ccccc1 ZINC000338984501 444969746 /nfs/dbraw/zinc/96/97/46/444969746.db2.gz BRYVJVGWQBPLHF-UHFFFAOYSA-N 2 2 341.459 1.812 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](C)C1 ZINC000330585824 445047899 /nfs/dbraw/zinc/04/78/99/445047899.db2.gz UTQFKVUXDLYHCL-YYIAUSFCSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](C)C1 ZINC000330585824 445047903 /nfs/dbraw/zinc/04/79/03/445047903.db2.gz UTQFKVUXDLYHCL-YYIAUSFCSA-N 2 2 346.475 1.067 20 0 EDADLP Cn1cc([C@H](CO)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000341906058 445064999 /nfs/dbraw/zinc/06/49/99/445064999.db2.gz UJRLQTJRESIGDW-MOPGFXCFSA-N 2 2 344.459 1.334 20 0 EDADLP Cn1cc([C@H](CO)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000341906058 445065005 /nfs/dbraw/zinc/06/50/05/445065005.db2.gz UJRLQTJRESIGDW-MOPGFXCFSA-N 2 2 344.459 1.334 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@@H](C)C1 ZINC000341910203 445067336 /nfs/dbraw/zinc/06/73/36/445067336.db2.gz KHOUIFDIHSQJRG-BBWFWOEESA-N 2 2 346.537 1.538 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@@H](C)C1 ZINC000341910203 445067342 /nfs/dbraw/zinc/06/73/42/445067342.db2.gz KHOUIFDIHSQJRG-BBWFWOEESA-N 2 2 346.537 1.538 20 0 EDADLP CC[C@H](C(=O)NCCC[NH+]1CCCCC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339230377 445101821 /nfs/dbraw/zinc/10/18/21/445101821.db2.gz HUYPBVKKXZWARP-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP CC[C@H](C(=O)NCCC[NH+]1CCCCC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339230377 445101826 /nfs/dbraw/zinc/10/18/26/445101826.db2.gz HUYPBVKKXZWARP-DLBZAZTESA-N 2 2 325.497 1.868 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337502957 445108751 /nfs/dbraw/zinc/10/87/51/445108751.db2.gz WZRWYCRXZKPHGL-CVEARBPZSA-N 2 2 348.491 1.940 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337502957 445108755 /nfs/dbraw/zinc/10/87/55/445108755.db2.gz WZRWYCRXZKPHGL-CVEARBPZSA-N 2 2 348.491 1.940 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339243000 445109985 /nfs/dbraw/zinc/10/99/85/445109985.db2.gz SXYVEBKDXHKWBI-MSOLQXFVSA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C2CCCC2)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339243000 445109991 /nfs/dbraw/zinc/10/99/91/445109991.db2.gz SXYVEBKDXHKWBI-MSOLQXFVSA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000344764664 445140961 /nfs/dbraw/zinc/14/09/61/445140961.db2.gz BZMYDJZULFHUPH-LTIDMASMSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000344764664 445140962 /nfs/dbraw/zinc/14/09/62/445140962.db2.gz BZMYDJZULFHUPH-LTIDMASMSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337524187 445119553 /nfs/dbraw/zinc/11/95/53/445119553.db2.gz ALACBHRMIDJISG-KFWWJZLASA-N 2 2 337.468 1.459 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337524187 445119555 /nfs/dbraw/zinc/11/95/55/445119555.db2.gz ALACBHRMIDJISG-KFWWJZLASA-N 2 2 337.468 1.459 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000342007008 445120776 /nfs/dbraw/zinc/12/07/76/445120776.db2.gz GMEGVUAYSHHGFU-OAHLLOKOSA-N 2 2 349.479 1.146 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000342007008 445120779 /nfs/dbraw/zinc/12/07/79/445120779.db2.gz GMEGVUAYSHHGFU-OAHLLOKOSA-N 2 2 349.479 1.146 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000345452129 445186881 /nfs/dbraw/zinc/18/68/81/445186881.db2.gz OKYDODWJEIFSCG-IVSAIRAKSA-N 2 2 336.480 1.116 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000345452129 445186883 /nfs/dbraw/zinc/18/68/83/445186883.db2.gz OKYDODWJEIFSCG-IVSAIRAKSA-N 2 2 336.480 1.116 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)CCC[N@@H+]1C ZINC000343390960 445214619 /nfs/dbraw/zinc/21/46/19/445214619.db2.gz QFYKBBQRQUMNMC-WBMJQRKESA-N 2 2 347.488 1.753 20 0 EDADLP Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)CCC[N@H+]1C ZINC000343390960 445214620 /nfs/dbraw/zinc/21/46/20/445214620.db2.gz QFYKBBQRQUMNMC-WBMJQRKESA-N 2 2 347.488 1.753 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)c[nH]1 ZINC000343395976 445215463 /nfs/dbraw/zinc/21/54/63/445215463.db2.gz JOQJSYBGUUAZTI-PBHICJAKSA-N 2 2 345.447 1.708 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)c[nH]1 ZINC000343395976 445215465 /nfs/dbraw/zinc/21/54/65/445215465.db2.gz JOQJSYBGUUAZTI-PBHICJAKSA-N 2 2 345.447 1.708 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)CC(=O)NCC2CC2)CCC[N@@H+]1C ZINC000346878197 445226722 /nfs/dbraw/zinc/22/67/22/445226722.db2.gz HCOOXUGAVJIVJU-YJBOKZPZSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)CC(=O)NCC2CC2)CCC[N@H+]1C ZINC000346878197 445226724 /nfs/dbraw/zinc/22/67/24/445226724.db2.gz HCOOXUGAVJIVJU-YJBOKZPZSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CC(=O)N2CCCC2)CCC[NH+]1C ZINC000346888235 445227367 /nfs/dbraw/zinc/22/73/67/445227367.db2.gz PVMZHALWUUYDRW-MAUKXSAKSA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CC(=O)N2CCCC2)CCC[NH+]1C ZINC000346888235 445227370 /nfs/dbraw/zinc/22/73/70/445227370.db2.gz PVMZHALWUUYDRW-MAUKXSAKSA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)N2CCCC2)CCC[N@@H+]1C ZINC000346888235 445227371 /nfs/dbraw/zinc/22/73/71/445227371.db2.gz PVMZHALWUUYDRW-MAUKXSAKSA-N 2 2 333.480 1.357 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)N2CCCC2)CCC[N@H+]1C ZINC000346888235 445227373 /nfs/dbraw/zinc/22/73/73/445227373.db2.gz PVMZHALWUUYDRW-MAUKXSAKSA-N 2 2 333.480 1.357 20 0 EDADLP CCOCC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346914245 445227704 /nfs/dbraw/zinc/22/77/04/445227704.db2.gz FPAPHFJJTAAGBD-SOLBZPMBSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000346914245 445227705 /nfs/dbraw/zinc/22/77/05/445227705.db2.gz FPAPHFJJTAAGBD-SOLBZPMBSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346914245 445227707 /nfs/dbraw/zinc/22/77/07/445227707.db2.gz FPAPHFJJTAAGBD-SOLBZPMBSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000346914245 445227708 /nfs/dbraw/zinc/22/77/08/445227708.db2.gz FPAPHFJJTAAGBD-SOLBZPMBSA-N 2 2 338.496 1.522 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@H+](C)CC(=O)NCC2CC2)CCC[NH+]1C ZINC000346878197 445226719 /nfs/dbraw/zinc/22/67/19/445226719.db2.gz HCOOXUGAVJIVJU-YJBOKZPZSA-N 2 2 333.480 1.261 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)CC(=O)NCC2CC2)CCC[NH+]1C ZINC000346878197 445226721 /nfs/dbraw/zinc/22/67/21/445226721.db2.gz HCOOXUGAVJIVJU-YJBOKZPZSA-N 2 2 333.480 1.261 20 0 EDADLP OC[C@@H]1CC[C@@H](CO)[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000347299065 445235631 /nfs/dbraw/zinc/23/56/31/445235631.db2.gz XYLIIXSNJDFBGO-FHWLQOOXSA-N 2 2 334.460 1.095 20 0 EDADLP OC[C@@H]1CC[C@@H](CO)[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000347299065 445235633 /nfs/dbraw/zinc/23/56/33/445235633.db2.gz XYLIIXSNJDFBGO-FHWLQOOXSA-N 2 2 334.460 1.095 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000343508504 445236063 /nfs/dbraw/zinc/23/60/63/445236063.db2.gz SPLVLKWJSCKRAL-IEBWSBKVSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000343508504 445236064 /nfs/dbraw/zinc/23/60/64/445236064.db2.gz SPLVLKWJSCKRAL-IEBWSBKVSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000343508504 445236065 /nfs/dbraw/zinc/23/60/65/445236065.db2.gz SPLVLKWJSCKRAL-IEBWSBKVSA-N 2 2 345.487 1.829 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000343508504 445236066 /nfs/dbraw/zinc/23/60/66/445236066.db2.gz SPLVLKWJSCKRAL-IEBWSBKVSA-N 2 2 345.487 1.829 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343532685 445239616 /nfs/dbraw/zinc/23/96/16/445239616.db2.gz GHRKBALAKFJYBV-KBPBESRZSA-N 2 2 327.469 1.249 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343532685 445239617 /nfs/dbraw/zinc/23/96/17/445239617.db2.gz GHRKBALAKFJYBV-KBPBESRZSA-N 2 2 327.469 1.249 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343532685 445239618 /nfs/dbraw/zinc/23/96/18/445239618.db2.gz GHRKBALAKFJYBV-KBPBESRZSA-N 2 2 327.469 1.249 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)OC(C)(C)C)C[C@@H]1C ZINC000343532685 445239620 /nfs/dbraw/zinc/23/96/20/445239620.db2.gz GHRKBALAKFJYBV-KBPBESRZSA-N 2 2 327.469 1.249 20 0 EDADLP CC[C@@H]1CCC[C@H](C[N@H+](CCN2CC[NH+](C)CC2)CC(=O)OC)C1 ZINC000343597598 445256721 /nfs/dbraw/zinc/25/67/21/445256721.db2.gz COZZCAARLOBRSX-MSOLQXFVSA-N 2 2 339.524 1.925 20 0 EDADLP CC[C@@H]1CCC[C@H](C[N@@H+](CCN2CC[NH+](C)CC2)CC(=O)OC)C1 ZINC000343597598 445256724 /nfs/dbraw/zinc/25/67/24/445256724.db2.gz COZZCAARLOBRSX-MSOLQXFVSA-N 2 2 339.524 1.925 20 0 EDADLP Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nc(C(C)C)[nH+]1 ZINC000348348692 445264285 /nfs/dbraw/zinc/26/42/85/445264285.db2.gz GYTORFRWOGHXBC-OAHLLOKOSA-N 2 2 333.480 2.263 20 0 EDADLP Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)nc(C(C)C)[nH+]1 ZINC000348348692 445264292 /nfs/dbraw/zinc/26/42/92/445264292.db2.gz GYTORFRWOGHXBC-OAHLLOKOSA-N 2 2 333.480 2.263 20 0 EDADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC000348360015 445266193 /nfs/dbraw/zinc/26/61/93/445266193.db2.gz BQNHFJYRINDHHN-RBUKOAKNSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC000348360015 445266196 /nfs/dbraw/zinc/26/61/96/445266196.db2.gz BQNHFJYRINDHHN-RBUKOAKNSA-N 2 2 347.503 1.716 20 0 EDADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000354585650 445304672 /nfs/dbraw/zinc/30/46/72/445304672.db2.gz NRMGPWUOQJYADW-FGTMMUONSA-N 2 2 337.508 1.724 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H](COC(F)F)C2)CC1 ZINC000354616027 445316002 /nfs/dbraw/zinc/31/60/02/445316002.db2.gz UYRVPBRHYZLHBG-ZDUSSCGKSA-N 2 2 348.438 1.283 20 0 EDADLP Cc1nc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000343644373 445279395 /nfs/dbraw/zinc/27/93/95/445279395.db2.gz FIFKNFUEUXJOQN-INIZCTEOSA-N 2 2 326.448 1.609 20 0 EDADLP Cc1nc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000343644373 445279397 /nfs/dbraw/zinc/27/93/97/445279397.db2.gz FIFKNFUEUXJOQN-INIZCTEOSA-N 2 2 326.448 1.609 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354635510 445322600 /nfs/dbraw/zinc/32/26/00/445322600.db2.gz JCDHNWRVTWSNFQ-IJEWVQPXSA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354635510 445322602 /nfs/dbraw/zinc/32/26/02/445322602.db2.gz JCDHNWRVTWSNFQ-IJEWVQPXSA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354635510 445322606 /nfs/dbraw/zinc/32/26/06/445322606.db2.gz JCDHNWRVTWSNFQ-IJEWVQPXSA-N 2 2 349.479 1.082 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354635510 445322608 /nfs/dbraw/zinc/32/26/08/445322608.db2.gz JCDHNWRVTWSNFQ-IJEWVQPXSA-N 2 2 349.479 1.082 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000348164347 445297816 /nfs/dbraw/zinc/29/78/16/445297816.db2.gz XPFVVBVOUMLGMV-QRVBRYPASA-N 2 2 345.487 1.782 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000348164347 445297821 /nfs/dbraw/zinc/29/78/21/445297821.db2.gz XPFVVBVOUMLGMV-QRVBRYPASA-N 2 2 345.487 1.782 20 0 EDADLP O=C(CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)Nc1ccc(F)cc1 ZINC000354576157 445300621 /nfs/dbraw/zinc/30/06/21/445300621.db2.gz QDYUGZHNKVZSOX-UHFFFAOYSA-N 2 2 331.395 1.695 20 0 EDADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCS(=O)(=O)N(C)C ZINC000351829280 445336293 /nfs/dbraw/zinc/33/62/93/445336293.db2.gz QNGHGSAKFNEOSS-QGZVFWFLSA-N 2 2 341.521 1.624 20 0 EDADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCS(=O)(=O)N(C)C ZINC000351829280 445336294 /nfs/dbraw/zinc/33/62/94/445336294.db2.gz QNGHGSAKFNEOSS-QGZVFWFLSA-N 2 2 341.521 1.624 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000351851284 445343346 /nfs/dbraw/zinc/34/33/46/445343346.db2.gz LBCOTYVKRRSRPW-HOCLYGCPSA-N 2 2 327.432 1.158 20 0 EDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000351851284 445343349 /nfs/dbraw/zinc/34/33/49/445343349.db2.gz LBCOTYVKRRSRPW-HOCLYGCPSA-N 2 2 327.432 1.158 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000351872382 445349150 /nfs/dbraw/zinc/34/91/50/445349150.db2.gz AMSGTZKONMZIRK-UHFFFAOYSA-N 2 2 347.463 1.800 20 0 EDADLP C[C@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)[NH+]1CCOCC1 ZINC000354723728 445352070 /nfs/dbraw/zinc/35/20/70/445352070.db2.gz HBFVVWIDDXYXQJ-MRXNPFEDSA-N 2 2 325.497 1.678 20 0 EDADLP CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000359658520 445361095 /nfs/dbraw/zinc/36/10/95/445361095.db2.gz QCSQMWQDPAFSAL-CQSZACIVSA-N 2 2 339.480 1.251 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000357072708 445408476 /nfs/dbraw/zinc/40/84/76/445408476.db2.gz HNZOFCXKDLOAEV-ZWKOTPCHSA-N 2 2 329.488 1.812 20 0 EDADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000357072708 445408480 /nfs/dbraw/zinc/40/84/80/445408480.db2.gz HNZOFCXKDLOAEV-ZWKOTPCHSA-N 2 2 329.488 1.812 20 0 EDADLP COC(=O)[C@H]([C@@H](C)O)[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000351983580 445416851 /nfs/dbraw/zinc/41/68/51/445416851.db2.gz UBEGIHSNQUVDMH-WBVHZDCISA-N 2 2 331.416 1.698 20 0 EDADLP COC(=O)[C@H]([C@@H](C)O)[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000351983580 445416855 /nfs/dbraw/zinc/41/68/55/445416855.db2.gz UBEGIHSNQUVDMH-WBVHZDCISA-N 2 2 331.416 1.698 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1cccc(Cl)c1 ZINC000348865006 445422083 /nfs/dbraw/zinc/42/20/83/445422083.db2.gz GXYCRZQQALUQTM-LSDHHAIUSA-N 2 2 325.840 1.390 20 0 EDADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1cccc(Cl)c1 ZINC000348865006 445422087 /nfs/dbraw/zinc/42/20/87/445422087.db2.gz GXYCRZQQALUQTM-LSDHHAIUSA-N 2 2 325.840 1.390 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000357094329 445425018 /nfs/dbraw/zinc/42/50/18/445425018.db2.gz ZJASSJQPVGJFJQ-HZPDHXFCSA-N 2 2 346.450 1.016 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000357094329 445425022 /nfs/dbraw/zinc/42/50/22/445425022.db2.gz ZJASSJQPVGJFJQ-HZPDHXFCSA-N 2 2 346.450 1.016 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@H]1[NH+](C)C ZINC000362657877 445482484 /nfs/dbraw/zinc/48/24/84/445482484.db2.gz ZZRCXAARFLCRNU-GHMZBOCLSA-N 2 2 333.358 1.537 20 0 EDADLP CCn1nccc1C[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354923070 445433846 /nfs/dbraw/zinc/43/38/46/445433846.db2.gz MSXGNUNCJHCDBA-ZBFHGGJFSA-N 2 2 334.443 1.681 20 0 EDADLP CCn1nccc1C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354923070 445433847 /nfs/dbraw/zinc/43/38/47/445433847.db2.gz MSXGNUNCJHCDBA-ZBFHGGJFSA-N 2 2 334.443 1.681 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000352011690 445437221 /nfs/dbraw/zinc/43/72/21/445437221.db2.gz CJBVEONEZZITBF-HZPDHXFCSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000352011690 445437224 /nfs/dbraw/zinc/43/72/24/445437224.db2.gz CJBVEONEZZITBF-HZPDHXFCSA-N 2 2 331.460 1.683 20 0 EDADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000362564231 445441613 /nfs/dbraw/zinc/44/16/13/445441613.db2.gz ISMZFVGPFAWZDO-INIZCTEOSA-N 2 2 345.491 1.825 20 0 EDADLP CCOc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1OC ZINC000362660942 445483263 /nfs/dbraw/zinc/48/32/63/445483263.db2.gz BEXHSULQWPVOMR-MRXNPFEDSA-N 2 2 347.459 1.490 20 0 EDADLP CCOc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1OC ZINC000362660942 445483267 /nfs/dbraw/zinc/48/32/67/445483267.db2.gz BEXHSULQWPVOMR-MRXNPFEDSA-N 2 2 347.459 1.490 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000352085962 445483374 /nfs/dbraw/zinc/48/33/74/445483374.db2.gz XWNAFCKZZILVPD-AWEZNQCLSA-N 2 2 328.482 1.330 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000357149808 445455327 /nfs/dbraw/zinc/45/53/27/445455327.db2.gz BJGUVOONCXMNKM-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000357149808 445455330 /nfs/dbraw/zinc/45/53/30/445455330.db2.gz BJGUVOONCXMNKM-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000357149808 445455331 /nfs/dbraw/zinc/45/53/31/445455331.db2.gz BJGUVOONCXMNKM-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000357149808 445455332 /nfs/dbraw/zinc/45/53/32/445455332.db2.gz BJGUVOONCXMNKM-ROUUACIJSA-N 2 2 335.492 1.763 20 0 EDADLP COC1CCN(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000349106474 445508075 /nfs/dbraw/zinc/50/80/75/445508075.db2.gz XGWDAIIMJBJFQF-UHFFFAOYSA-N 2 2 326.485 1.175 20 0 EDADLP COC1CCN(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000349106474 445508078 /nfs/dbraw/zinc/50/80/78/445508078.db2.gz XGWDAIIMJBJFQF-UHFFFAOYSA-N 2 2 326.485 1.175 20 0 EDADLP COC(=O)c1oc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000362704308 445509654 /nfs/dbraw/zinc/50/96/54/445509654.db2.gz SZALCXDPVRBPQD-WBVHZDCISA-N 2 2 349.475 1.832 20 0 EDADLP COC(=O)c1oc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000362704308 445509655 /nfs/dbraw/zinc/50/96/55/445509655.db2.gz SZALCXDPVRBPQD-WBVHZDCISA-N 2 2 349.475 1.832 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3n[nH]c4ccccc43)C2)CC1 ZINC000362712133 445513605 /nfs/dbraw/zinc/51/36/05/445513605.db2.gz URAQUAPYMJLONW-AWEZNQCLSA-N 2 2 341.459 1.390 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3n[nH]c4ccccc43)C2)CC1 ZINC000362712133 445513609 /nfs/dbraw/zinc/51/36/09/445513609.db2.gz URAQUAPYMJLONW-AWEZNQCLSA-N 2 2 341.459 1.390 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3[nH]nc4ccccc43)C2)CC1 ZINC000362712133 445513612 /nfs/dbraw/zinc/51/36/12/445513612.db2.gz URAQUAPYMJLONW-AWEZNQCLSA-N 2 2 341.459 1.390 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3[nH]nc4ccccc43)C2)CC1 ZINC000362712133 445513617 /nfs/dbraw/zinc/51/36/17/445513617.db2.gz URAQUAPYMJLONW-AWEZNQCLSA-N 2 2 341.459 1.390 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000349141531 445521349 /nfs/dbraw/zinc/52/13/49/445521349.db2.gz FIIKEIPCHWYZDX-DOTOQJQBSA-N 2 2 341.521 1.185 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000349141531 445521353 /nfs/dbraw/zinc/52/13/53/445521353.db2.gz FIIKEIPCHWYZDX-DOTOQJQBSA-N 2 2 341.521 1.185 20 0 EDADLP COc1ccc(OC)c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362667531 445488179 /nfs/dbraw/zinc/48/81/79/445488179.db2.gz RCNKIUDKSMSQTD-HNNXBMFYSA-N 2 2 333.432 1.100 20 0 EDADLP COc1ccc(OC)c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362667531 445488181 /nfs/dbraw/zinc/48/81/81/445488181.db2.gz RCNKIUDKSMSQTD-HNNXBMFYSA-N 2 2 333.432 1.100 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000355823294 445495113 /nfs/dbraw/zinc/49/51/13/445495113.db2.gz KKXMSLVSINPMHV-MRXNPFEDSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000355823294 445495118 /nfs/dbraw/zinc/49/51/18/445495118.db2.gz KKXMSLVSINPMHV-MRXNPFEDSA-N 2 2 349.479 1.036 20 0 EDADLP C[C@@H](CO)CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000362677717 445495553 /nfs/dbraw/zinc/49/55/53/445495553.db2.gz UBOFQEACSAEGDC-OAHLLOKOSA-N 2 2 340.512 1.253 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)[N@H+](C)Cc1ccccc1 ZINC000357237258 445498762 /nfs/dbraw/zinc/49/87/62/445498762.db2.gz GXPOHWXGMIMUCY-WBVHZDCISA-N 2 2 341.459 1.414 20 0 EDADLP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1nccn1C)[N@@H+](C)Cc1ccccc1 ZINC000357237258 445498767 /nfs/dbraw/zinc/49/87/67/445498767.db2.gz GXPOHWXGMIMUCY-WBVHZDCISA-N 2 2 341.459 1.414 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)NCc3[nH+]ccn3C)cc2)CC1 ZINC000360119314 445577027 /nfs/dbraw/zinc/57/70/27/445577027.db2.gz NZAGNZPTOMOFKB-UHFFFAOYSA-N 2 2 327.432 1.492 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccon1 ZINC000349235770 445541962 /nfs/dbraw/zinc/54/19/62/445541962.db2.gz GGIQUNJMNMMXLN-CQSZACIVSA-N 2 2 329.404 1.459 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554206 450424778 /nfs/dbraw/zinc/42/47/78/450424778.db2.gz IMVAFPWQJLOBBV-SFHVURJKSA-N 2 2 334.460 1.531 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](COC)Cc1ccccc1 ZINC000357322978 445548545 /nfs/dbraw/zinc/54/85/45/445548545.db2.gz VKAFCJHXBIBRMX-SFHVURJKSA-N 2 2 333.476 1.340 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](COC)Cc1ccccc1 ZINC000357322978 445548548 /nfs/dbraw/zinc/54/85/48/445548548.db2.gz VKAFCJHXBIBRMX-SFHVURJKSA-N 2 2 333.476 1.340 20 0 EDADLP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000360160139 445603081 /nfs/dbraw/zinc/60/30/81/445603081.db2.gz CCMXESWIAIYGIQ-HNNXBMFYSA-N 2 2 349.479 1.033 20 0 EDADLP CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000360160139 445603083 /nfs/dbraw/zinc/60/30/83/445603083.db2.gz CCMXESWIAIYGIQ-HNNXBMFYSA-N 2 2 349.479 1.033 20 0 EDADLP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000356097317 445619663 /nfs/dbraw/zinc/61/96/63/445619663.db2.gz UIZZEWYPTCDENZ-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000349672537 445642526 /nfs/dbraw/zinc/64/25/26/445642526.db2.gz WEXRLVPWFPHDKS-OAHLLOKOSA-N 2 2 335.452 1.058 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000349672537 445642530 /nfs/dbraw/zinc/64/25/30/445642530.db2.gz WEXRLVPWFPHDKS-OAHLLOKOSA-N 2 2 335.452 1.058 20 0 EDADLP FC(F)(F)Cn1cc[nH+]c1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000360222821 445638403 /nfs/dbraw/zinc/63/84/03/445638403.db2.gz OQGCONDWFKPHPY-UHFFFAOYSA-N 2 2 346.397 1.990 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000358534288 445639232 /nfs/dbraw/zinc/63/92/32/445639232.db2.gz VNXCUFLFAIVVSC-ZIAGYGMSSA-N 2 2 335.452 1.260 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000356207620 445676171 /nfs/dbraw/zinc/67/61/71/445676171.db2.gz QYIOCPCCDVHVRK-OAHLLOKOSA-N 3 2 326.529 1.638 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000356207620 445676175 /nfs/dbraw/zinc/67/61/75/445676175.db2.gz QYIOCPCCDVHVRK-OAHLLOKOSA-N 3 2 326.529 1.638 20 0 EDADLP [NH3+]C1(C(=O)N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)CC1 ZINC000353649089 445692404 /nfs/dbraw/zinc/69/24/04/445692404.db2.gz VJLDLTRPZJHJOR-UHFFFAOYSA-N 2 2 347.850 1.513 20 0 EDADLP [NH3+]C1(C(=O)N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)CC1 ZINC000353649089 445692406 /nfs/dbraw/zinc/69/24/06/445692406.db2.gz VJLDLTRPZJHJOR-UHFFFAOYSA-N 2 2 347.850 1.513 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC[N@H+]3CC=C(C)CC3)C2)CC1 ZINC000358669127 445704276 /nfs/dbraw/zinc/70/42/76/445704276.db2.gz QYHIJHUSVSGXGL-GOSISDBHSA-N 2 2 349.523 1.060 20 0 EDADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)NCC[N@@H+]3CC=C(C)CC3)C2)CC1 ZINC000358669127 445704282 /nfs/dbraw/zinc/70/42/82/445704282.db2.gz QYHIJHUSVSGXGL-GOSISDBHSA-N 2 2 349.523 1.060 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](CC(F)F)CC3)C2)C1 ZINC000356258563 445704439 /nfs/dbraw/zinc/70/44/39/445704439.db2.gz PNOLFRMPIAGEQI-KRWDZBQOSA-N 2 2 329.435 1.908 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](CC(F)F)CC3)C2)C1 ZINC000356258563 445704445 /nfs/dbraw/zinc/70/44/45/445704445.db2.gz PNOLFRMPIAGEQI-KRWDZBQOSA-N 2 2 329.435 1.908 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000363166036 445704454 /nfs/dbraw/zinc/70/44/54/445704454.db2.gz MVOQIRWCDCQUSV-LSDHHAIUSA-N 2 2 336.505 1.874 20 0 EDADLP C[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000353690751 445709546 /nfs/dbraw/zinc/70/95/46/445709546.db2.gz JOYXNBVVGGORLV-UHFFFAOYSA-N 2 2 326.444 1.932 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363179037 445709815 /nfs/dbraw/zinc/70/98/15/445709815.db2.gz CZMIIAKDMQFWPM-CVEARBPZSA-N 3 2 339.528 1.184 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363179037 445709820 /nfs/dbraw/zinc/70/98/20/445709820.db2.gz CZMIIAKDMQFWPM-CVEARBPZSA-N 3 2 339.528 1.184 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CC[C@@H](CO)O3)sc2C1 ZINC000353705974 445717799 /nfs/dbraw/zinc/71/77/99/445717799.db2.gz OUIFNGYNDHRJSU-OLZOCXBDSA-N 2 2 325.478 1.539 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CC[C@@H](CO)O3)sc2C1 ZINC000353705974 445717803 /nfs/dbraw/zinc/71/78/03/445717803.db2.gz OUIFNGYNDHRJSU-OLZOCXBDSA-N 2 2 325.478 1.539 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)c(C)c1 ZINC000625555060 450426180 /nfs/dbraw/zinc/42/61/80/450426180.db2.gz QJWYLOUEVGPAQO-IBGZPJMESA-N 2 2 348.487 1.840 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000358698944 445725064 /nfs/dbraw/zinc/72/50/64/445725064.db2.gz XHSKCEBGLBANDL-BPQIPLTHSA-N 2 2 331.460 1.392 20 0 EDADLP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000358698944 445725067 /nfs/dbraw/zinc/72/50/67/445725067.db2.gz XHSKCEBGLBANDL-BPQIPLTHSA-N 2 2 331.460 1.392 20 0 EDADLP O[C@H](COc1ccccc1F)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554740 450426214 /nfs/dbraw/zinc/42/62/14/450426214.db2.gz NJRHLYKQRUQAKX-INIZCTEOSA-N 2 2 338.423 1.362 20 0 EDADLP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000360958371 445740676 /nfs/dbraw/zinc/74/06/76/445740676.db2.gz SODIAHABTGWRAB-LJQANCHMSA-N 2 2 346.519 1.507 20 0 EDADLP C[C@H](C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1)CN1CC[NH+](C)CC1 ZINC000358742288 445753066 /nfs/dbraw/zinc/75/30/66/445753066.db2.gz BDBPHEJQQXYHPV-NVXWUHKLSA-N 2 2 328.464 1.367 20 0 EDADLP CN(C(=O)[C@H](O)c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363348204 445774610 /nfs/dbraw/zinc/77/46/10/445774610.db2.gz CMKLHIZCDYNWAI-ZWKOTPCHSA-N 2 2 331.460 1.347 20 0 EDADLP CN(C(=O)[C@H](O)c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363348204 445774611 /nfs/dbraw/zinc/77/46/11/445774611.db2.gz CMKLHIZCDYNWAI-ZWKOTPCHSA-N 2 2 331.460 1.347 20 0 EDADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000356415642 445779781 /nfs/dbraw/zinc/77/97/81/445779781.db2.gz IMFCABMCEJAOBG-OLZOCXBDSA-N 2 2 349.479 1.708 20 0 EDADLP C[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000358849525 445808916 /nfs/dbraw/zinc/80/89/16/445808916.db2.gz BPFJIENQTPMSDL-KBRIMQKVSA-N 2 2 335.423 1.047 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363459229 445813932 /nfs/dbraw/zinc/81/39/32/445813932.db2.gz IVDGVOGQZQDDCO-IBGZPJMESA-N 3 2 333.524 1.931 20 0 EDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363459229 445813936 /nfs/dbraw/zinc/81/39/36/445813936.db2.gz IVDGVOGQZQDDCO-IBGZPJMESA-N 3 2 333.524 1.931 20 0 EDADLP CC(C)N1CC[C@H]([N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000363466145 445815720 /nfs/dbraw/zinc/81/57/20/445815720.db2.gz CIFVXIOGDJYDPF-SFHVURJKSA-N 2 2 330.476 1.987 20 0 EDADLP CC(C)N1CC[C@H]([N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)C1=O ZINC000363466145 445815722 /nfs/dbraw/zinc/81/57/22/445815722.db2.gz CIFVXIOGDJYDPF-SFHVURJKSA-N 2 2 330.476 1.987 20 0 EDADLP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000356593359 445877245 /nfs/dbraw/zinc/87/72/45/445877245.db2.gz FXIAIYQPIUSBOH-KRWDZBQOSA-N 2 2 337.508 1.822 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)c3ccnc(C[NH3+])c3)CCCC2)no1 ZINC000361610179 445847027 /nfs/dbraw/zinc/84/70/27/445847027.db2.gz LTVNCSLIVNFOII-UHFFFAOYSA-N 2 2 344.419 1.184 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCS1 ZINC000350660397 445873848 /nfs/dbraw/zinc/87/38/48/445873848.db2.gz NTDQZVQEHGPCCF-AWEZNQCLSA-N 2 2 339.530 1.830 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCS1 ZINC000350660397 445873854 /nfs/dbraw/zinc/87/38/54/445873854.db2.gz NTDQZVQEHGPCCF-AWEZNQCLSA-N 2 2 339.530 1.830 20 0 EDADLP C[NH+]1CCCC[C@@H]1CCC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000356630548 445897478 /nfs/dbraw/zinc/89/74/78/445897478.db2.gz ZWHGGPQRQBOBIP-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+]1CCCC[C@@H]1CCC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000356630548 445897481 /nfs/dbraw/zinc/89/74/81/445897481.db2.gz ZWHGGPQRQBOBIP-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+]1CCO[C@@H](CN(CC2CC2)C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000356630548 445897483 /nfs/dbraw/zinc/89/74/83/445897483.db2.gz ZWHGGPQRQBOBIP-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP C[NH+]1CCO[C@@H](CN(CC2CC2)C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000356630548 445897484 /nfs/dbraw/zinc/89/74/84/445897484.db2.gz ZWHGGPQRQBOBIP-QZTJIDSGSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1nc(N2CC[NH+](CCC(=O)Nc3cccnc3)CC2)cc[nH+]1 ZINC000361763792 445925354 /nfs/dbraw/zinc/92/53/54/445925354.db2.gz GKBKHBUILMETSI-UHFFFAOYSA-N 2 2 326.404 1.331 20 0 EDADLP Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccccc2)c[nH+]1 ZINC000354157197 445955077 /nfs/dbraw/zinc/95/50/77/445955077.db2.gz GVLLMSOSTDEUFY-UHFFFAOYSA-N 2 2 333.457 1.891 20 0 EDADLP COc1cccc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1OC ZINC000365024292 445977629 /nfs/dbraw/zinc/97/76/29/445977629.db2.gz ZSTHPXKAFJQEQZ-UHFFFAOYSA-N 2 2 347.459 1.442 20 0 EDADLP COc1cccc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1OC ZINC000365024292 445977635 /nfs/dbraw/zinc/97/76/35/445977635.db2.gz ZSTHPXKAFJQEQZ-UHFFFAOYSA-N 2 2 347.459 1.442 20 0 EDADLP CN(C(=O)[C@H]1CCCc2n[nH]cc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366066216 445990892 /nfs/dbraw/zinc/99/08/92/445990892.db2.gz GVXNPRRPEJWOHW-HOTGVXAUSA-N 2 2 345.491 1.457 20 0 EDADLP CN(C(=O)[C@H]1CCCc2n[nH]cc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366066216 445990899 /nfs/dbraw/zinc/99/08/99/445990899.db2.gz GVXNPRRPEJWOHW-HOTGVXAUSA-N 2 2 345.491 1.457 20 0 EDADLP C[N@@H+]1CCCC12CCN(c1cc(N3CCCC[C@H]3CO)[nH+]cn1)CC2 ZINC000365055058 445996265 /nfs/dbraw/zinc/99/62/65/445996265.db2.gz TVHVUANMQFCNAG-INIZCTEOSA-N 2 2 345.491 1.892 20 0 EDADLP C[N@H+]1CCCC12CCN(c1cc(N3CCCC[C@H]3CO)[nH+]cn1)CC2 ZINC000365055058 445996270 /nfs/dbraw/zinc/99/62/70/445996270.db2.gz TVHVUANMQFCNAG-INIZCTEOSA-N 2 2 345.491 1.892 20 0 EDADLP C[N@@H+]1CCCC12CCN(c1cc(N3CCCC[C@H]3CO)nc[nH+]1)CC2 ZINC000365055058 445996277 /nfs/dbraw/zinc/99/62/77/445996277.db2.gz TVHVUANMQFCNAG-INIZCTEOSA-N 2 2 345.491 1.892 20 0 EDADLP C[N@H+]1CCCC12CCN(c1cc(N3CCCC[C@H]3CO)nc[nH+]1)CC2 ZINC000365055058 445996283 /nfs/dbraw/zinc/99/62/83/445996283.db2.gz TVHVUANMQFCNAG-INIZCTEOSA-N 2 2 345.491 1.892 20 0 EDADLP CN(C(=O)C1CCSCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369243189 446016486 /nfs/dbraw/zinc/01/64/86/446016486.db2.gz WWYVOZYNWKNPNJ-MRXNPFEDSA-N 2 2 325.522 1.757 20 0 EDADLP CN(C(=O)C1CCSCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369243189 446016493 /nfs/dbraw/zinc/01/64/93/446016493.db2.gz WWYVOZYNWKNPNJ-MRXNPFEDSA-N 2 2 325.522 1.757 20 0 EDADLP COc1cc(C)cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000369258524 446027045 /nfs/dbraw/zinc/02/70/45/446027045.db2.gz WKUCOLZRJZCWJK-CQSZACIVSA-N 2 2 347.459 1.608 20 0 EDADLP COc1cc(C)cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1O ZINC000369258524 446027049 /nfs/dbraw/zinc/02/70/49/446027049.db2.gz WKUCOLZRJZCWJK-CQSZACIVSA-N 2 2 347.459 1.608 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCOc4ccccc43)C2)CC1 ZINC000369264619 446030549 /nfs/dbraw/zinc/03/05/49/446030549.db2.gz CFQQHLUEXXYNBO-QAPCUYQASA-N 2 2 343.471 1.837 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCOc4ccccc43)C2)CC1 ZINC000369264619 446030553 /nfs/dbraw/zinc/03/05/53/446030553.db2.gz CFQQHLUEXXYNBO-QAPCUYQASA-N 2 2 343.471 1.837 20 0 EDADLP CC(=O)c1ccc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369272593 446036870 /nfs/dbraw/zinc/03/68/70/446036870.db2.gz CHEFCFHOFPRAOQ-SFHVURJKSA-N 2 2 343.471 1.716 20 0 EDADLP CC(=O)c1ccc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369272593 446036877 /nfs/dbraw/zinc/03/68/77/446036877.db2.gz CHEFCFHOFPRAOQ-SFHVURJKSA-N 2 2 343.471 1.716 20 0 EDADLP COc1cccc(/C=C/C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369272343 446037235 /nfs/dbraw/zinc/03/72/35/446037235.db2.gz BCPHQGABISBLGA-LXXRFIIISA-N 2 2 343.471 1.993 20 0 EDADLP COc1cccc(/C=C/C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000369272343 446037240 /nfs/dbraw/zinc/03/72/40/446037240.db2.gz BCPHQGABISBLGA-LXXRFIIISA-N 2 2 343.471 1.993 20 0 EDADLP C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273549 446037428 /nfs/dbraw/zinc/03/74/28/446037428.db2.gz HLMYVEFZKICXOG-HZPDHXFCSA-N 2 2 331.460 1.739 20 0 EDADLP C[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273549 446037432 /nfs/dbraw/zinc/03/74/32/446037432.db2.gz HLMYVEFZKICXOG-HZPDHXFCSA-N 2 2 331.460 1.739 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359209004 446038130 /nfs/dbraw/zinc/03/81/30/446038130.db2.gz IATNHNAFIANFKM-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359209004 446038136 /nfs/dbraw/zinc/03/81/36/446038136.db2.gz IATNHNAFIANFKM-ZWKOTPCHSA-N 2 2 331.460 1.488 20 0 EDADLP CO[C@@](C)(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369273574 446038946 /nfs/dbraw/zinc/03/89/46/446038946.db2.gz HRFNEJAMROHHCA-FXAWDEMLSA-N 2 2 345.487 1.833 20 0 EDADLP CO[C@@](C)(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369273574 446038949 /nfs/dbraw/zinc/03/89/49/446038949.db2.gz HRFNEJAMROHHCA-FXAWDEMLSA-N 2 2 345.487 1.833 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369218538 446000672 /nfs/dbraw/zinc/00/06/72/446000672.db2.gz JCPLGTLUINTTFY-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000369218538 446000677 /nfs/dbraw/zinc/00/06/77/446000677.db2.gz JCPLGTLUINTTFY-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000369218538 446000682 /nfs/dbraw/zinc/00/06/82/446000682.db2.gz JCPLGTLUINTTFY-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000369218538 446000687 /nfs/dbraw/zinc/00/06/87/446000687.db2.gz JCPLGTLUINTTFY-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP CCC[NH+]1CCN(C(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000359177454 446003409 /nfs/dbraw/zinc/00/34/09/446003409.db2.gz NSFRUFQVDMVIQX-QGZVFWFLSA-N 2 2 325.497 1.678 20 0 EDADLP CCCn1ncnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000373066279 446003743 /nfs/dbraw/zinc/00/37/43/446003743.db2.gz PLHOBSDLWRZHGW-SJPCQFCGSA-N 2 2 332.496 1.431 20 0 EDADLP CCCn1ncnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000373066279 446003749 /nfs/dbraw/zinc/00/37/49/446003749.db2.gz PLHOBSDLWRZHGW-SJPCQFCGSA-N 2 2 332.496 1.431 20 0 EDADLP C[C@H]([C@@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359184937 446009263 /nfs/dbraw/zinc/00/92/63/446009263.db2.gz YBUGFTUDHJGHPU-XJKCOSOUSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@H]([C@@H]1CCC[N@H+](C2CCC2)C1)N1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O ZINC000359184937 446009270 /nfs/dbraw/zinc/00/92/70/446009270.db2.gz YBUGFTUDHJGHPU-XJKCOSOUSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@H]([C@@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359184937 446009277 /nfs/dbraw/zinc/00/92/77/446009277.db2.gz YBUGFTUDHJGHPU-XJKCOSOUSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@H]([C@@H]1CCC[N@H+](C2CCC2)C1)N1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O ZINC000359184937 446009281 /nfs/dbraw/zinc/00/92/81/446009281.db2.gz YBUGFTUDHJGHPU-XJKCOSOUSA-N 2 2 345.447 1.526 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000583354910 326054965 /nfs/dbraw/zinc/05/49/65/326054965.db2.gz PHQYZBDFMSDVQJ-XHSDSOJGSA-N 2 2 326.485 1.220 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000583354910 326054967 /nfs/dbraw/zinc/05/49/67/326054967.db2.gz PHQYZBDFMSDVQJ-XHSDSOJGSA-N 2 2 326.485 1.220 20 0 EDADLP CSc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000583495613 326083708 /nfs/dbraw/zinc/08/37/08/326083708.db2.gz MLYCQVVKJLXANS-ZIAGYGMSSA-N 2 2 333.457 1.949 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1C(=O)NC(C)C ZINC000583800067 326141354 /nfs/dbraw/zinc/14/13/54/326141354.db2.gz PIJVPBSVFKCBIM-HNNXBMFYSA-N 2 2 347.463 1.240 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1C(=O)NC(C)C ZINC000583800067 326141358 /nfs/dbraw/zinc/14/13/58/326141358.db2.gz PIJVPBSVFKCBIM-HNNXBMFYSA-N 2 2 347.463 1.240 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000583919221 326164990 /nfs/dbraw/zinc/16/49/90/326164990.db2.gz PNGBXKIYILTFLE-HNNXBMFYSA-N 2 2 347.463 1.322 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000583919221 326164994 /nfs/dbraw/zinc/16/49/94/326164994.db2.gz PNGBXKIYILTFLE-HNNXBMFYSA-N 2 2 347.463 1.322 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccccc2N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000584040801 326187940 /nfs/dbraw/zinc/18/79/40/326187940.db2.gz OVVYBNSCFJKBGZ-HNNXBMFYSA-N 2 2 331.464 1.784 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccccc2N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000584040801 326187942 /nfs/dbraw/zinc/18/79/42/326187942.db2.gz OVVYBNSCFJKBGZ-HNNXBMFYSA-N 2 2 331.464 1.784 20 0 EDADLP [NH3+]CCCCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000584110351 326201532 /nfs/dbraw/zinc/20/15/32/326201532.db2.gz ZBAWJHWOMIPAMF-UHFFFAOYSA-N 2 2 349.866 1.761 20 0 EDADLP CCc1ccc([C@@H](CNc2nc(C)[nH+]c(N(C)C)n2)[NH+](C)C)cc1 ZINC000359235861 446067958 /nfs/dbraw/zinc/06/79/58/446067958.db2.gz SMKIQPQQUXNVFW-MRXNPFEDSA-N 2 2 328.464 2.523 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3OC(F)F)C[C@@H]12 ZINC000351478063 446079524 /nfs/dbraw/zinc/07/95/24/446079524.db2.gz OQAPKOBDWRADBZ-IJLUTSLNSA-N 2 2 325.359 1.896 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3OC(F)F)C[C@@H]12 ZINC000351478063 446079534 /nfs/dbraw/zinc/07/95/34/446079534.db2.gz OQAPKOBDWRADBZ-IJLUTSLNSA-N 2 2 325.359 1.896 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C[C@@H]12 ZINC000351480880 446081341 /nfs/dbraw/zinc/08/13/41/446081341.db2.gz WECQMYGPMJMTQB-YNEHKIRRSA-N 2 2 328.372 1.634 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C[C@@H]12 ZINC000351480880 446081344 /nfs/dbraw/zinc/08/13/44/446081344.db2.gz WECQMYGPMJMTQB-YNEHKIRRSA-N 2 2 328.372 1.634 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]12 ZINC000351496741 446101491 /nfs/dbraw/zinc/10/14/91/446101491.db2.gz SEWIMLNEOACSRO-USXIJHARSA-N 2 2 343.475 1.680 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(N4CCCCC4)nc3)C[C@@H]12 ZINC000351496741 446101498 /nfs/dbraw/zinc/10/14/98/446101498.db2.gz SEWIMLNEOACSRO-USXIJHARSA-N 2 2 343.475 1.680 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1N(C)C ZINC000369825422 446159011 /nfs/dbraw/zinc/15/90/11/446159011.db2.gz ISENAXIZURYCIK-MJGOQNOKSA-N 2 2 346.519 1.589 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1N(C)C ZINC000369825422 446159015 /nfs/dbraw/zinc/15/90/15/446159015.db2.gz ISENAXIZURYCIK-MJGOQNOKSA-N 2 2 346.519 1.589 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1N(C)C ZINC000369825422 446159021 /nfs/dbraw/zinc/15/90/21/446159021.db2.gz ISENAXIZURYCIK-MJGOQNOKSA-N 2 2 346.519 1.589 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1N(C)C ZINC000369825422 446159025 /nfs/dbraw/zinc/15/90/25/446159025.db2.gz ISENAXIZURYCIK-MJGOQNOKSA-N 2 2 346.519 1.589 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354415021 446189095 /nfs/dbraw/zinc/18/90/95/446189095.db2.gz YMFLGLDBKIBTJH-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354415021 446189096 /nfs/dbraw/zinc/18/90/96/446189096.db2.gz YMFLGLDBKIBTJH-AEFFLSMTSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000373377298 446189559 /nfs/dbraw/zinc/18/95/59/446189559.db2.gz NCMAKONRDZILQZ-INIZCTEOSA-N 2 2 348.447 1.234 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000373377298 446189567 /nfs/dbraw/zinc/18/95/67/446189567.db2.gz NCMAKONRDZILQZ-INIZCTEOSA-N 2 2 348.447 1.234 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1cccs1 ZINC000373308427 446156988 /nfs/dbraw/zinc/15/69/88/446156988.db2.gz AFLXTIFIKUPTOZ-GJZGRUSLSA-N 2 2 337.489 1.722 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C)[S@](=O)[C@@H](C)C3)c2cc1C ZINC000362073109 446194387 /nfs/dbraw/zinc/19/43/87/446194387.db2.gz UFSQHSDINLIQPL-YWNXARQUSA-N 2 2 349.500 1.855 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C)[S@](=O)[C@@H](C)C3)c2cc1C ZINC000362073109 446194388 /nfs/dbraw/zinc/19/43/88/446194388.db2.gz UFSQHSDINLIQPL-YWNXARQUSA-N 2 2 349.500 1.855 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000373388622 446195857 /nfs/dbraw/zinc/19/58/57/446195857.db2.gz AUGFMGBSIAKSHQ-UHFFFAOYSA-N 2 2 336.480 1.167 20 0 EDADLP CC(C)n1nccc1C[NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000365425202 446201073 /nfs/dbraw/zinc/20/10/73/446201073.db2.gz KHSFYXSQCCGPMM-UHFFFAOYSA-N 2 2 333.480 1.640 20 0 EDADLP CC(C)C[N@@H+]1CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000365444236 446208987 /nfs/dbraw/zinc/20/89/87/446208987.db2.gz ARGSSGFKSDJEGB-SJORKVTESA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)C[N@H+]1CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000365444236 446208992 /nfs/dbraw/zinc/20/89/92/446208992.db2.gz ARGSSGFKSDJEGB-SJORKVTESA-N 2 2 340.512 1.469 20 0 EDADLP Cn1c2c([nH+]c1[C@@H]1CCCN1C[C@@H](O)C[N@H+](C)C1CC1)CCCC2 ZINC000351618201 446214169 /nfs/dbraw/zinc/21/41/69/446214169.db2.gz FNWZSNKESITLJO-YJBOKZPZSA-N 2 2 332.492 1.891 20 0 EDADLP Cn1c2c([nH+]c1[C@@H]1CCCN1C[C@@H](O)C[N@@H+](C)C1CC1)CCCC2 ZINC000351618201 446214174 /nfs/dbraw/zinc/21/41/74/446214174.db2.gz FNWZSNKESITLJO-YJBOKZPZSA-N 2 2 332.492 1.891 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000373467956 446227584 /nfs/dbraw/zinc/22/75/84/446227584.db2.gz IFPBPCDWHUMGGZ-UHFFFAOYSA-N 2 2 330.432 1.676 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)CC1 ZINC000373467956 446227588 /nfs/dbraw/zinc/22/75/88/446227588.db2.gz IFPBPCDWHUMGGZ-UHFFFAOYSA-N 2 2 330.432 1.676 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)[C@H](C)N3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000365527675 446241561 /nfs/dbraw/zinc/24/15/61/446241561.db2.gz ZLCCXICMXYYACX-INIZCTEOSA-N 2 2 345.491 1.111 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000365527589 446242305 /nfs/dbraw/zinc/24/23/05/446242305.db2.gz YMVTYXFUCTXWNF-KXBFYZLASA-N 2 2 347.459 1.063 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)C1 ZINC000365527589 446242307 /nfs/dbraw/zinc/24/23/07/446242307.db2.gz YMVTYXFUCTXWNF-KXBFYZLASA-N 2 2 347.459 1.063 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCOCC4(CCCC4)C3)cn2)CC1 ZINC000373566561 446264407 /nfs/dbraw/zinc/26/44/07/446264407.db2.gz DKYNDFTWCQQDQH-UHFFFAOYSA-N 2 2 345.491 1.621 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCOCC4(CCCC4)C3)cn2)CC1 ZINC000373566561 446264412 /nfs/dbraw/zinc/26/44/12/446264412.db2.gz DKYNDFTWCQQDQH-UHFFFAOYSA-N 2 2 345.491 1.621 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000370498430 446307234 /nfs/dbraw/zinc/30/72/34/446307234.db2.gz HEEWVCYSESWVCX-INIZCTEOSA-N 2 2 342.480 1.591 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000417467777 446352652 /nfs/dbraw/zinc/35/26/52/446352652.db2.gz MZBXNMXYNFIDCP-LLVKDONJSA-N 2 2 333.358 1.729 20 0 EDADLP CCCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC[NH2+]CC1 ZINC000417498023 446354830 /nfs/dbraw/zinc/35/48/30/446354830.db2.gz CVUGTBTWJAVARG-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CCCN(C(=O)NCC[N@H+]1CCOCC1(C)C)C1CC[NH2+]CC1 ZINC000417498023 446354837 /nfs/dbraw/zinc/35/48/37/446354837.db2.gz CVUGTBTWJAVARG-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP O[C@H](CNc1cccc(-n2cc[nH+]c2)n1)C[N@@H+]1CCc2ccccc2C1 ZINC000370608330 446355982 /nfs/dbraw/zinc/35/59/82/446355982.db2.gz KDXQHSJWWQSBQA-GOSISDBHSA-N 2 2 349.438 2.098 20 0 EDADLP O[C@H](CNc1cccc(-n2cc[nH+]c2)n1)C[N@H+]1CCc2ccccc2C1 ZINC000370608330 446355987 /nfs/dbraw/zinc/35/59/87/446355987.db2.gz KDXQHSJWWQSBQA-GOSISDBHSA-N 2 2 349.438 2.098 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000417601623 446366470 /nfs/dbraw/zinc/36/64/70/446366470.db2.gz MCPXWGXFHSZQNH-WMZOPIPTSA-N 2 2 348.491 1.357 20 0 EDADLP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417665709 446369768 /nfs/dbraw/zinc/36/97/68/446369768.db2.gz ZLOCRYLGURSZIJ-IUODEOHRSA-N 2 2 340.418 1.961 20 0 EDADLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(=O)n1C ZINC000365899039 446394027 /nfs/dbraw/zinc/39/40/27/446394027.db2.gz YCRPCBSBOHIYDK-UHFFFAOYSA-N 2 2 326.444 1.843 20 0 EDADLP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423124182 446430533 /nfs/dbraw/zinc/43/05/33/446430533.db2.gz MFUXFTVSLIPJJA-MOPGFXCFSA-N 3 2 348.491 1.269 20 0 EDADLP FC(F)(F)c1ccnc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423138036 446437062 /nfs/dbraw/zinc/43/70/62/446437062.db2.gz RUMDOLYQBSGVHD-LSDHHAIUSA-N 2 2 329.366 2.000 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCCO[C@@H](C[NH3+])C2)nc[nH+]1 ZINC000420275345 446444781 /nfs/dbraw/zinc/44/47/81/446444781.db2.gz FTRPGOFZYBCYJV-MPGHIAIKSA-N 2 2 349.479 1.646 20 0 EDADLP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCCO[C@@H](C[NH3+])C2)[nH+]cn1 ZINC000420275345 446444786 /nfs/dbraw/zinc/44/47/86/446444786.db2.gz FTRPGOFZYBCYJV-MPGHIAIKSA-N 2 2 349.479 1.646 20 0 EDADLP Cc1cn2c(n1)C[NH+](CCCC[N@H+]1CCn3cc(C)nc3C1)CC2 ZINC000376258396 446403394 /nfs/dbraw/zinc/40/33/94/446403394.db2.gz QOOSGSISNXPALN-UHFFFAOYSA-N 2 2 328.464 1.808 20 0 EDADLP Cc1cn2c(n1)C[NH+](CCCC[N@@H+]1CCn3cc(C)nc3C1)CC2 ZINC000376258396 446403398 /nfs/dbraw/zinc/40/33/98/446403398.db2.gz QOOSGSISNXPALN-UHFFFAOYSA-N 2 2 328.464 1.808 20 0 EDADLP C[C@@H]([NH2+]CCC[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423196763 446451475 /nfs/dbraw/zinc/45/14/75/446451475.db2.gz WDMZAXKOQWOATR-SSDOTTSWSA-N 2 2 326.249 1.640 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000370757233 446419240 /nfs/dbraw/zinc/41/92/40/446419240.db2.gz NKAISMUKYZYKJV-OAGGEKHMSA-N 2 2 325.416 1.804 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000418050590 446424989 /nfs/dbraw/zinc/42/49/89/446424989.db2.gz PHNARGNIIUGLOY-CYBMUJFWSA-N 2 2 336.867 1.701 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC[NH2+]1 ZINC000418050590 446424993 /nfs/dbraw/zinc/42/49/93/446424993.db2.gz PHNARGNIIUGLOY-CYBMUJFWSA-N 2 2 336.867 1.701 20 0 EDADLP [NH3+]C1(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C2CC3CC(C2)CC1C3 ZINC000418227705 446465430 /nfs/dbraw/zinc/46/54/30/446465430.db2.gz AKSFKRKVGQCRRA-HSAWEFAOSA-N 2 2 343.475 1.720 20 0 EDADLP [NH3+]C1(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C2CC3CC(C2)CC1C3 ZINC000418227705 446465433 /nfs/dbraw/zinc/46/54/33/446465433.db2.gz AKSFKRKVGQCRRA-HSAWEFAOSA-N 2 2 343.475 1.720 20 0 EDADLP COc1ccc([C@@H](C[NH3+])CN2CC[NH+](Cc3cc(C)no3)CC2)cc1 ZINC000420309461 446472127 /nfs/dbraw/zinc/47/21/27/446472127.db2.gz TYRGNBYZUSTKQX-KRWDZBQOSA-N 2 2 344.459 1.852 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(Cc3cc(C)no3)CC2)cc1 ZINC000420309461 446472129 /nfs/dbraw/zinc/47/21/29/446472129.db2.gz TYRGNBYZUSTKQX-KRWDZBQOSA-N 2 2 344.459 1.852 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2cscn2)C[C@H](C)O1 ZINC000423301232 446477277 /nfs/dbraw/zinc/47/72/77/446477277.db2.gz GQVAHHDJVWJAGB-NTZNESFSSA-N 2 2 326.466 1.147 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2cscn2)C[C@H](C)O1 ZINC000423301232 446477283 /nfs/dbraw/zinc/47/72/83/446477283.db2.gz GQVAHHDJVWJAGB-NTZNESFSSA-N 2 2 326.466 1.147 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2cscn2)C[C@@H](C)O1 ZINC000423301233 446477647 /nfs/dbraw/zinc/47/76/47/446477647.db2.gz GQVAHHDJVWJAGB-WZRBSPASSA-N 2 2 326.466 1.147 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC2([NH3+])CCCCCC2)CCO1 ZINC000418286921 446484143 /nfs/dbraw/zinc/48/41/43/446484143.db2.gz SKWVHOWLYVBIRQ-OAHLLOKOSA-N 2 2 326.485 1.448 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC2([NH3+])CCCCCC2)CCO1 ZINC000418286921 446484149 /nfs/dbraw/zinc/48/41/49/446484149.db2.gz SKWVHOWLYVBIRQ-OAHLLOKOSA-N 2 2 326.485 1.448 20 0 EDADLP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000420322922 446489149 /nfs/dbraw/zinc/48/91/49/446489149.db2.gz STLLWHAEZDZSFU-HUUCEWRRSA-N 2 2 326.462 1.247 20 0 EDADLP CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000420322922 446489142 /nfs/dbraw/zinc/48/91/42/446489142.db2.gz STLLWHAEZDZSFU-HUUCEWRRSA-N 2 2 326.462 1.247 20 0 EDADLP CC[NH2+]CCNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000418314715 446495663 /nfs/dbraw/zinc/49/56/63/446495663.db2.gz FUQSPWNNDZKGIP-HNNXBMFYSA-N 2 2 334.464 1.693 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423387745 446512248 /nfs/dbraw/zinc/51/22/48/446512248.db2.gz IBZDPHQKPSBFBB-MRXNPFEDSA-N 2 2 342.447 1.825 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc3nccn32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375014724 446514244 /nfs/dbraw/zinc/51/42/44/446514244.db2.gz BPBJNWIZUBNXBO-WMZOPIPTSA-N 2 2 327.476 1.792 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc3nccn32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375014724 446514247 /nfs/dbraw/zinc/51/42/47/446514247.db2.gz BPBJNWIZUBNXBO-WMZOPIPTSA-N 2 2 327.476 1.792 20 0 EDADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]CCN2C)CC1 ZINC000423518407 446559808 /nfs/dbraw/zinc/55/98/08/446559808.db2.gz OOHWRGPOPSEDFB-PXNSSMCTSA-N 3 2 330.520 1.575 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423528453 446563060 /nfs/dbraw/zinc/56/30/60/446563060.db2.gz WOVCTNWXIQMIHQ-YRPNKDGESA-N 3 2 328.504 1.675 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423528453 446563063 /nfs/dbraw/zinc/56/30/63/446563063.db2.gz WOVCTNWXIQMIHQ-YRPNKDGESA-N 3 2 328.504 1.675 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423529232 446564279 /nfs/dbraw/zinc/56/42/79/446564279.db2.gz XKLFCDDIERJYDG-KBAYOESNSA-N 2 2 337.895 1.923 20 0 EDADLP c1sc(Nc2ccccc2)nc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351167 446529235 /nfs/dbraw/zinc/52/92/35/446529235.db2.gz WCMQJNFTCVVRNU-QGZVFWFLSA-N 2 2 343.500 2.366 20 0 EDADLP c1sc(Nc2ccccc2)nc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351167 446529238 /nfs/dbraw/zinc/52/92/38/446529238.db2.gz WCMQJNFTCVVRNU-QGZVFWFLSA-N 2 2 343.500 2.366 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000418399377 446529492 /nfs/dbraw/zinc/52/94/92/446529492.db2.gz XFRKDYSRVKPBEW-HNNXBMFYSA-N 2 2 344.463 1.017 20 0 EDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350892 446529440 /nfs/dbraw/zinc/52/94/40/446529440.db2.gz IJASLQZZDUXGGR-BXKDBHETSA-N 2 2 330.226 1.028 20 0 EDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350892 446529444 /nfs/dbraw/zinc/52/94/44/446529444.db2.gz IJASLQZZDUXGGR-BXKDBHETSA-N 2 2 330.226 1.028 20 0 EDADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420351691 446530483 /nfs/dbraw/zinc/53/04/83/446530483.db2.gz KPSDEGVIZQIYPC-WBVHZDCISA-N 2 2 335.448 1.000 20 0 EDADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420351691 446530485 /nfs/dbraw/zinc/53/04/85/446530485.db2.gz KPSDEGVIZQIYPC-WBVHZDCISA-N 2 2 335.448 1.000 20 0 EDADLP C[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C[C@@H](O)C[NH3+] ZINC000420354563 446533785 /nfs/dbraw/zinc/53/37/85/446533785.db2.gz OSQFFHSHKYQYCI-INIZCTEOSA-N 2 2 337.439 1.005 20 0 EDADLP C[N@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)C[C@@H](O)C[NH3+] ZINC000420354563 446533790 /nfs/dbraw/zinc/53/37/90/446533790.db2.gz OSQFFHSHKYQYCI-INIZCTEOSA-N 2 2 337.439 1.005 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000420356100 446535395 /nfs/dbraw/zinc/53/53/95/446535395.db2.gz CMORRRMPKZOIHQ-XHBSWPGZSA-N 2 2 341.402 1.880 20 0 EDADLP COCCOc1ccc(CNC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420355506 446536364 /nfs/dbraw/zinc/53/63/64/446536364.db2.gz BYQXBNSGPCVFLS-QMTMVMCOSA-N 2 2 349.475 1.304 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1OC ZINC000420360303 446541075 /nfs/dbraw/zinc/54/10/75/446541075.db2.gz GVDSDIHGZDEJEP-ZUMXRPEOSA-N 2 2 349.475 1.685 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420363251 446543122 /nfs/dbraw/zinc/54/31/22/446543122.db2.gz JEBXZOFRADGSNY-QMTMVMCOSA-N 2 2 333.476 1.815 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418439154 446543847 /nfs/dbraw/zinc/54/38/47/446543847.db2.gz YBKVQOFTOBADIY-RDJZCZTQSA-N 2 2 331.464 1.426 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000420364724 446545044 /nfs/dbraw/zinc/54/50/44/446545044.db2.gz KOCYOLBBPDEJHX-MDZRGWNJSA-N 3 2 345.491 1.096 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000420364724 446545047 /nfs/dbraw/zinc/54/50/47/446545047.db2.gz KOCYOLBBPDEJHX-MDZRGWNJSA-N 2 2 345.491 1.096 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000453257462 446552060 /nfs/dbraw/zinc/55/20/60/446552060.db2.gz GVTDVGWMMLJNHN-HOJAQTOUSA-N 2 2 346.519 1.728 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1CCO ZINC000453257462 446552067 /nfs/dbraw/zinc/55/20/67/446552067.db2.gz GVTDVGWMMLJNHN-HOJAQTOUSA-N 2 2 346.519 1.728 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420395241 446570298 /nfs/dbraw/zinc/57/02/98/446570298.db2.gz DFMYOBMKYBZYCA-HOCLYGCPSA-N 2 2 331.460 1.891 20 0 EDADLP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420395241 446570304 /nfs/dbraw/zinc/57/03/04/446570304.db2.gz DFMYOBMKYBZYCA-HOCLYGCPSA-N 2 2 331.460 1.891 20 0 EDADLP CCN(C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)[C@H](C)c1ccc(F)cc1 ZINC000420398440 446571076 /nfs/dbraw/zinc/57/10/76/446571076.db2.gz YQSOZOXPFARORS-PBHICJAKSA-N 2 2 337.439 1.785 20 0 EDADLP CCN(C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)[C@H](C)c1ccc(F)cc1 ZINC000420398440 446571078 /nfs/dbraw/zinc/57/10/78/446571078.db2.gz YQSOZOXPFARORS-PBHICJAKSA-N 2 2 337.439 1.785 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)N[C@H](C)C[NH3+] ZINC000418516490 446576925 /nfs/dbraw/zinc/57/69/25/446576925.db2.gz SIAVSPISYFKFAZ-WXHSDQCUSA-N 2 2 343.472 1.353 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)N[C@H](C)C[NH3+] ZINC000418516490 446576930 /nfs/dbraw/zinc/57/69/30/446576930.db2.gz SIAVSPISYFKFAZ-WXHSDQCUSA-N 2 2 343.472 1.353 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@@H](C)C[NH3+] ZINC000418571832 446599327 /nfs/dbraw/zinc/59/93/27/446599327.db2.gz SBFZCKGICBLOPA-JKSUJKDBSA-N 2 2 334.464 1.266 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)C1 ZINC000423613101 446606081 /nfs/dbraw/zinc/60/60/81/446606081.db2.gz OPPNCIYMOVMFGI-SJORKVTESA-N 2 2 335.423 1.408 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)C1 ZINC000423613101 446606085 /nfs/dbraw/zinc/60/60/85/446606085.db2.gz OPPNCIYMOVMFGI-SJORKVTESA-N 2 2 335.423 1.408 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000418592116 446606912 /nfs/dbraw/zinc/60/69/12/446606912.db2.gz OPUWAHNOUQLNTN-ZIAGYGMSSA-N 2 2 335.452 1.308 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423686454 446640357 /nfs/dbraw/zinc/64/03/57/446640357.db2.gz ZCOQXNQAWHIPPB-OALUTQOASA-N 2 2 343.471 1.491 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423686454 446640370 /nfs/dbraw/zinc/64/03/70/446640370.db2.gz ZCOQXNQAWHIPPB-OALUTQOASA-N 2 2 343.471 1.491 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1c[nH]nc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000376680355 446647720 /nfs/dbraw/zinc/64/77/20/446647720.db2.gz MZXVADIKIVCJOE-HNNXBMFYSA-N 2 2 342.447 1.719 20 0 EDADLP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000418727316 446656000 /nfs/dbraw/zinc/65/60/00/446656000.db2.gz MLQDKAGSHZGHIC-CQSZACIVSA-N 2 2 332.439 1.605 20 0 EDADLP COC(=O)[C@H](C)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371161461 446662978 /nfs/dbraw/zinc/66/29/78/446662978.db2.gz WMPBICDFXBOKFW-HNNXBMFYSA-N 3 2 325.497 1.676 20 0 EDADLP COC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371161461 446662983 /nfs/dbraw/zinc/66/29/83/446662983.db2.gz WMPBICDFXBOKFW-HNNXBMFYSA-N 3 2 325.497 1.676 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000423758431 446686544 /nfs/dbraw/zinc/68/65/44/446686544.db2.gz NPFFFKZBOKSPPL-GXTWGEPZSA-N 2 2 325.478 1.673 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000368186696 446693740 /nfs/dbraw/zinc/69/37/40/446693740.db2.gz AEZDPTYLKRQTBL-NVXWUHKLSA-N 2 2 343.475 1.786 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000368186696 446693748 /nfs/dbraw/zinc/69/37/48/446693748.db2.gz AEZDPTYLKRQTBL-NVXWUHKLSA-N 2 2 343.475 1.786 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418780734 446699331 /nfs/dbraw/zinc/69/93/31/446699331.db2.gz YSNUFYPVMPKTHY-SJORKVTESA-N 2 2 338.496 1.271 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418780734 446699337 /nfs/dbraw/zinc/69/93/37/446699337.db2.gz YSNUFYPVMPKTHY-SJORKVTESA-N 2 2 338.496 1.271 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423810787 446701210 /nfs/dbraw/zinc/70/12/10/446701210.db2.gz BLTVDASVNGFRQQ-HZUKXOBISA-N 2 2 343.830 1.704 20 0 EDADLP CO[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423810787 446701212 /nfs/dbraw/zinc/70/12/12/446701212.db2.gz BLTVDASVNGFRQQ-HZUKXOBISA-N 2 2 343.830 1.704 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NC3CCC([NH+](C)C)CC3)[nH+]cn2)C1 ZINC000420634055 446713041 /nfs/dbraw/zinc/71/30/41/446713041.db2.gz ZCJABFPNAQVMQM-QVOMUQBLSA-N 2 2 333.480 1.968 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(NC3CCC([NH+](C)C)CC3)nc[nH+]2)C1 ZINC000420634055 446713042 /nfs/dbraw/zinc/71/30/42/446713042.db2.gz ZCJABFPNAQVMQM-QVOMUQBLSA-N 2 2 333.480 1.968 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@H]3CC[NH2+]CC3(F)F)C2)CC1 ZINC000418759692 446679186 /nfs/dbraw/zinc/67/91/86/446679186.db2.gz KORSGAYERVZNPC-LSDHHAIUSA-N 2 2 344.450 1.605 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371304748 446759666 /nfs/dbraw/zinc/75/96/66/446759666.db2.gz KIFXZUNLKXLWSF-DOTOQJQBSA-N 2 2 338.540 1.780 20 0 EDADLP CCC(C)(C)NC(=O)[C@H](C)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371304748 446759671 /nfs/dbraw/zinc/75/96/71/446759671.db2.gz KIFXZUNLKXLWSF-DOTOQJQBSA-N 2 2 338.540 1.780 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@@H]1C ZINC000368294108 446764177 /nfs/dbraw/zinc/76/41/77/446764177.db2.gz OHLVRQWAJXIEHI-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)C[C@@H]1C ZINC000368294108 446764183 /nfs/dbraw/zinc/76/41/83/446764183.db2.gz OHLVRQWAJXIEHI-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C[C@@H]1C ZINC000368294108 446764188 /nfs/dbraw/zinc/76/41/88/446764188.db2.gz OHLVRQWAJXIEHI-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H]1C ZINC000368294108 446764195 /nfs/dbraw/zinc/76/41/95/446764195.db2.gz OHLVRQWAJXIEHI-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](CO)[C@@H]3CCCOC3)c2cc1C ZINC000412000436 446782029 /nfs/dbraw/zinc/78/20/29/446782029.db2.gz ZBEJNUBRQLSEIZ-JFIYKMOQSA-N 2 2 347.459 1.391 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423934172 446785516 /nfs/dbraw/zinc/78/55/16/446785516.db2.gz YLIDJBHAPSTKGY-KDOFPFPSSA-N 2 2 332.448 1.517 20 0 EDADLP COC1([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000412019265 446787052 /nfs/dbraw/zinc/78/70/52/446787052.db2.gz HOXTUTSTMNGZAY-KRWDZBQOSA-N 2 2 345.487 1.878 20 0 EDADLP CN(C(=O)C1SCCS1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371284055 446742870 /nfs/dbraw/zinc/74/28/70/446742870.db2.gz NPPGDYHQNAJNTC-ZDUSSCGKSA-N 2 2 329.535 1.419 20 0 EDADLP CN(C(=O)C1SCCS1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371284055 446742873 /nfs/dbraw/zinc/74/28/73/446742873.db2.gz NPPGDYHQNAJNTC-ZDUSSCGKSA-N 2 2 329.535 1.419 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454220911 446811759 /nfs/dbraw/zinc/81/17/59/446811759.db2.gz FBHVHVOBEQRSOM-QLFBSQMISA-N 2 2 337.468 1.763 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454220911 446811764 /nfs/dbraw/zinc/81/17/64/446811764.db2.gz FBHVHVOBEQRSOM-QLFBSQMISA-N 2 2 337.468 1.763 20 0 EDADLP C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C[NH3+] ZINC000423996291 446813747 /nfs/dbraw/zinc/81/37/47/446813747.db2.gz KIMVLUXBXOOAOA-QAPCUYQASA-N 2 2 331.460 1.576 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000424002292 446818813 /nfs/dbraw/zinc/81/88/13/446818813.db2.gz SKUASXAXOGKFHH-OAGGEKHMSA-N 2 2 331.464 1.417 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000424002292 446818818 /nfs/dbraw/zinc/81/88/18/446818818.db2.gz SKUASXAXOGKFHH-OAGGEKHMSA-N 2 2 331.464 1.417 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ncccn2)C1 ZINC000424007697 446819574 /nfs/dbraw/zinc/81/95/74/446819574.db2.gz XQFSOCLKVRSOIB-CABCVRRESA-N 2 2 333.480 1.534 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000424007697 446819576 /nfs/dbraw/zinc/81/95/76/446819576.db2.gz XQFSOCLKVRSOIB-CABCVRRESA-N 2 2 333.480 1.534 20 0 EDADLP Cc1cc(CCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000376990673 446845244 /nfs/dbraw/zinc/84/52/44/446845244.db2.gz DRLUXZWDYCEUDW-INIZCTEOSA-N 2 2 349.479 1.335 20 0 EDADLP Cc1cc(CCNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000376990673 446845246 /nfs/dbraw/zinc/84/52/46/446845246.db2.gz DRLUXZWDYCEUDW-INIZCTEOSA-N 2 2 349.479 1.335 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[C@H]1c1ccc(F)cc1 ZINC000623179176 450436221 /nfs/dbraw/zinc/43/62/21/450436221.db2.gz AOHJRCLNQNIJLV-BHYGNILZSA-N 2 2 342.418 1.928 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000419000972 446857666 /nfs/dbraw/zinc/85/76/66/446857666.db2.gz KZMXEQWNUMOIFX-INIZCTEOSA-N 2 2 334.464 1.119 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000419000972 446857669 /nfs/dbraw/zinc/85/76/69/446857669.db2.gz KZMXEQWNUMOIFX-INIZCTEOSA-N 2 2 334.464 1.119 20 0 EDADLP Cc1cc(C)n(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000371466696 446875361 /nfs/dbraw/zinc/87/53/61/446875361.db2.gz RFYAJYMFTRKLNJ-MRXNPFEDSA-N 2 2 333.480 1.127 20 0 EDADLP Cc1cc(C)n(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000371466696 446875370 /nfs/dbraw/zinc/87/53/70/446875370.db2.gz RFYAJYMFTRKLNJ-MRXNPFEDSA-N 2 2 333.480 1.127 20 0 EDADLP Cc1ccc(N2CCC[C@@H](C(=O)N[C@H](C)C[NH+]3CCOCC3)C2)[nH+]c1 ZINC000377040225 446879879 /nfs/dbraw/zinc/87/98/79/446879879.db2.gz NKKXAHSWKQALBP-IAGOWNOFSA-N 2 2 346.475 1.443 20 0 EDADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420923689 446891340 /nfs/dbraw/zinc/89/13/40/446891340.db2.gz RAGNRXQXFPOODP-LJQANCHMSA-N 2 2 345.487 1.962 20 0 EDADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420923689 446891345 /nfs/dbraw/zinc/89/13/45/446891345.db2.gz RAGNRXQXFPOODP-LJQANCHMSA-N 2 2 345.487 1.962 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000420926981 446896686 /nfs/dbraw/zinc/89/66/86/446896686.db2.gz YVAJONMAKJQKEM-IBGZPJMESA-N 2 2 331.460 1.035 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000420926981 446896693 /nfs/dbraw/zinc/89/66/93/446896693.db2.gz YVAJONMAKJQKEM-IBGZPJMESA-N 2 2 331.460 1.035 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000420926935 446897599 /nfs/dbraw/zinc/89/75/99/446897599.db2.gz YRHFAXOUAWAYMB-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000420926935 446897602 /nfs/dbraw/zinc/89/76/02/446897602.db2.gz YRHFAXOUAWAYMB-ROUUACIJSA-N 2 2 347.503 1.406 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758522 446953493 /nfs/dbraw/zinc/95/34/93/446953493.db2.gz JARFHNJOVGVMAL-YIONKMFJSA-N 2 2 331.416 1.246 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758522 446953497 /nfs/dbraw/zinc/95/34/97/446953497.db2.gz JARFHNJOVGVMAL-YIONKMFJSA-N 2 2 331.416 1.246 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442765093 446957613 /nfs/dbraw/zinc/95/76/13/446957613.db2.gz UTICIOBBVUXDKT-SJPCQFCGSA-N 2 2 331.460 1.868 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442765093 446957620 /nfs/dbraw/zinc/95/76/20/446957620.db2.gz UTICIOBBVUXDKT-SJPCQFCGSA-N 2 2 331.460 1.868 20 0 EDADLP CC[C@H](COC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372173045 447022067 /nfs/dbraw/zinc/02/20/67/447022067.db2.gz NSCOWJQMNKAWEM-ZBFHGGJFSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H](COC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372173045 447022070 /nfs/dbraw/zinc/02/20/70/447022070.db2.gz NSCOWJQMNKAWEM-ZBFHGGJFSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)CC[NH+]1CCC(CNc2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000413180269 447052792 /nfs/dbraw/zinc/05/27/92/447052792.db2.gz PDRYQHOWPCOWMD-HNNXBMFYSA-N 2 2 335.496 2.439 20 0 EDADLP CC(C)CC[NH+]1CCC(CNc2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000413180269 447052795 /nfs/dbraw/zinc/05/27/95/447052795.db2.gz PDRYQHOWPCOWMD-HNNXBMFYSA-N 2 2 335.496 2.439 20 0 EDADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372429663 447057202 /nfs/dbraw/zinc/05/72/02/447057202.db2.gz BOBPYXPGNRVJKM-SCTDSRPQSA-N 2 2 329.444 1.176 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)nc[nH+]1 ZINC000375804400 447065208 /nfs/dbraw/zinc/06/52/08/447065208.db2.gz HZCJTQPRQACQRE-TWMKSMIVSA-N 3 2 344.507 1.950 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)nc[nH+]1 ZINC000375804400 447065214 /nfs/dbraw/zinc/06/52/14/447065214.db2.gz HZCJTQPRQACQRE-TWMKSMIVSA-N 3 2 344.507 1.950 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC1(C[NH+](C)C)CCC1)C1CCOCC1 ZINC000377326171 447066412 /nfs/dbraw/zinc/06/64/12/447066412.db2.gz BAVIPFVUSRKRAD-HNNXBMFYSA-N 2 2 349.479 1.671 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000375757327 447025803 /nfs/dbraw/zinc/02/58/03/447025803.db2.gz LJAVTJZAVWTGEE-SJPCQFCGSA-N 2 2 345.443 1.969 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000375757327 447025809 /nfs/dbraw/zinc/02/58/09/447025809.db2.gz LJAVTJZAVWTGEE-SJPCQFCGSA-N 2 2 345.443 1.969 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000375757327 447025813 /nfs/dbraw/zinc/02/58/13/447025813.db2.gz LJAVTJZAVWTGEE-SJPCQFCGSA-N 2 2 345.443 1.969 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000375757327 447025816 /nfs/dbraw/zinc/02/58/16/447025816.db2.gz LJAVTJZAVWTGEE-SJPCQFCGSA-N 2 2 345.443 1.969 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C(=O)C1 ZINC000375759891 447027882 /nfs/dbraw/zinc/02/78/82/447027882.db2.gz PMGHIPONHKEHKH-UHFFFAOYSA-N 2 2 343.431 1.408 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C(=O)C1 ZINC000375759891 447027891 /nfs/dbraw/zinc/02/78/91/447027891.db2.gz PMGHIPONHKEHKH-UHFFFAOYSA-N 2 2 343.431 1.408 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccco3)CC2)CC1 ZINC000421234113 447076583 /nfs/dbraw/zinc/07/65/83/447076583.db2.gz DEEFOCWCXWSHLM-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccco3)CC2)CC1 ZINC000421234113 447076585 /nfs/dbraw/zinc/07/65/85/447076585.db2.gz DEEFOCWCXWSHLM-UHFFFAOYSA-N 2 2 334.464 1.981 20 0 EDADLP CC[N@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000368743680 447079555 /nfs/dbraw/zinc/07/95/55/447079555.db2.gz AGVQRCRIRXYTEX-UHFFFAOYSA-N 2 2 349.475 1.044 20 0 EDADLP CC[N@@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000368743680 447079562 /nfs/dbraw/zinc/07/95/62/447079562.db2.gz AGVQRCRIRXYTEX-UHFFFAOYSA-N 2 2 349.475 1.044 20 0 EDADLP CC[NH+](CCO)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000368743680 447079569 /nfs/dbraw/zinc/07/95/69/447079569.db2.gz AGVQRCRIRXYTEX-UHFFFAOYSA-N 2 2 349.475 1.044 20 0 EDADLP CC[NH+](CCO)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000368743680 447079577 /nfs/dbraw/zinc/07/95/77/447079577.db2.gz AGVQRCRIRXYTEX-UHFFFAOYSA-N 2 2 349.475 1.044 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485168 447081693 /nfs/dbraw/zinc/08/16/93/447081693.db2.gz PSNARULRYQFXQM-GDBMZVCRSA-N 2 2 338.496 1.412 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC(C)(C)O3)C2)CC1 ZINC000372485168 447081703 /nfs/dbraw/zinc/08/17/03/447081703.db2.gz PSNARULRYQFXQM-GDBMZVCRSA-N 2 2 338.496 1.412 20 0 EDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444174327 447087857 /nfs/dbraw/zinc/08/78/57/447087857.db2.gz FSOYGVLJHDTOEO-IUODEOHRSA-N 2 2 349.232 1.713 20 0 EDADLP C[NH+]1CCC(C)(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000375845258 447095668 /nfs/dbraw/zinc/09/56/68/447095668.db2.gz YCBJYOPXIDPWEY-UHFFFAOYSA-N 2 2 342.447 1.798 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nc[nH+]1 ZINC000413258357 447098793 /nfs/dbraw/zinc/09/87/93/447098793.db2.gz AAOUGGJIGQBZHA-HOCLYGCPSA-N 2 2 333.480 2.478 20 0 EDADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)nc[nH+]1 ZINC000413258357 447098800 /nfs/dbraw/zinc/09/88/00/447098800.db2.gz AAOUGGJIGQBZHA-HOCLYGCPSA-N 2 2 333.480 2.478 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O)C2 ZINC000368856699 447161043 /nfs/dbraw/zinc/16/10/43/447161043.db2.gz PZUMWHULGOWHSA-CABCVRRESA-N 2 2 332.835 1.846 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCN2CCNC2=O)[C@@H]1c1cnn(C)c1 ZINC000377531854 447185011 /nfs/dbraw/zinc/18/50/11/447185011.db2.gz ZDNXMHFWHXNEDG-DOTOQJQBSA-N 2 2 348.495 1.150 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCN2CCNC2=O)[C@@H]1c1cnn(C)c1 ZINC000377531854 447185019 /nfs/dbraw/zinc/18/50/19/447185019.db2.gz ZDNXMHFWHXNEDG-DOTOQJQBSA-N 2 2 348.495 1.150 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCN2CCNC2=O)[C@@H]1c1cnn(C)c1 ZINC000377531854 447185025 /nfs/dbraw/zinc/18/50/25/447185025.db2.gz ZDNXMHFWHXNEDG-DOTOQJQBSA-N 2 2 348.495 1.150 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccnc(-n2cc[nH+]c2)c1 ZINC000375954774 447171371 /nfs/dbraw/zinc/17/13/71/447171371.db2.gz SCMKMLQAVYZREN-KRWDZBQOSA-N 2 2 333.395 1.884 20 0 EDADLP CN(Cc1cnc2cnccn12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377626789 447254713 /nfs/dbraw/zinc/25/47/13/447254713.db2.gz MPLOVBVJNRJOQC-MRXNPFEDSA-N 2 2 328.464 1.330 20 0 EDADLP CN(Cc1cnc2cnccn12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377626789 447254718 /nfs/dbraw/zinc/25/47/18/447254718.db2.gz MPLOVBVJNRJOQC-MRXNPFEDSA-N 2 2 328.464 1.330 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)n1C ZINC000414301137 447289008 /nfs/dbraw/zinc/28/90/08/447289008.db2.gz BFQFHXCRKLYHOI-QGZVFWFLSA-N 2 2 341.459 1.939 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000369050325 447289492 /nfs/dbraw/zinc/28/94/92/447289492.db2.gz FFTSAECSQRSOAY-LBPRGKRZSA-N 2 2 345.369 1.825 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000369050325 447289496 /nfs/dbraw/zinc/28/94/96/447289496.db2.gz FFTSAECSQRSOAY-LBPRGKRZSA-N 2 2 345.369 1.825 20 0 EDADLP C[NH+](C)CC1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000458678387 447449991 /nfs/dbraw/zinc/44/99/91/447449991.db2.gz YVOLWZGSKQWAKE-IYBDPMFKSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+](C)CC1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000458678387 447449996 /nfs/dbraw/zinc/44/99/96/447449996.db2.gz YVOLWZGSKQWAKE-IYBDPMFKSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1ccoc1CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000494626944 447451148 /nfs/dbraw/zinc/45/11/48/447451148.db2.gz UGVLOBZFGUDGRW-OAHLLOKOSA-N 2 2 334.464 1.898 20 0 EDADLP Cc1ccoc1CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000494626944 447451155 /nfs/dbraw/zinc/45/11/55/447451155.db2.gz UGVLOBZFGUDGRW-OAHLLOKOSA-N 2 2 334.464 1.898 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000458779752 447475158 /nfs/dbraw/zinc/47/51/58/447475158.db2.gz UMOZLAXQUWFLOW-CABCVRRESA-N 2 2 335.452 1.017 20 0 EDADLP C[C@H](C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000495750092 447578706 /nfs/dbraw/zinc/57/87/06/447578706.db2.gz OFYLHVCNIMIQNJ-HUUCEWRRSA-N 2 2 341.496 1.800 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401847182 447580547 /nfs/dbraw/zinc/58/05/47/447580547.db2.gz ADJORTUDUUDTAA-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401847182 447580551 /nfs/dbraw/zinc/58/05/51/447580551.db2.gz ADJORTUDUUDTAA-QZTJIDSGSA-N 2 2 346.475 1.233 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)C2 ZINC000419997180 447536277 /nfs/dbraw/zinc/53/62/77/447536277.db2.gz LOHBURAISHAYRN-FZKQIMNGSA-N 2 2 336.480 1.457 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)CC2 ZINC000419997180 447536278 /nfs/dbraw/zinc/53/62/78/447536278.db2.gz LOHBURAISHAYRN-FZKQIMNGSA-N 2 2 336.480 1.457 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459341907 447640766 /nfs/dbraw/zinc/64/07/66/447640766.db2.gz GEFLGRDZYXCIHL-MRXNPFEDSA-N 2 2 325.888 1.638 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459341907 447640771 /nfs/dbraw/zinc/64/07/71/447640771.db2.gz GEFLGRDZYXCIHL-MRXNPFEDSA-N 2 2 325.888 1.638 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C)[NH+](C)Cc2ccccc2)CCO1 ZINC000427772781 447646687 /nfs/dbraw/zinc/64/66/87/447646687.db2.gz WPSMRFMWTJLUPE-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C)[NH+](C)Cc2ccccc2)CCO1 ZINC000427772781 447646696 /nfs/dbraw/zinc/64/66/96/447646696.db2.gz WPSMRFMWTJLUPE-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000427772781 447646704 /nfs/dbraw/zinc/64/67/04/447646704.db2.gz WPSMRFMWTJLUPE-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000427772781 447646708 /nfs/dbraw/zinc/64/67/08/447646708.db2.gz WPSMRFMWTJLUPE-FUHWJXTLSA-N 2 2 333.476 1.734 20 0 EDADLP C[N@H+](CC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)Cc1ccccc1 ZINC000450853241 447595541 /nfs/dbraw/zinc/59/55/41/447595541.db2.gz AVTKBGIGJQYDGX-IRXDYDNUSA-N 2 2 339.505 1.568 20 0 EDADLP C[N@@H+](CC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O)Cc1ccccc1 ZINC000450853241 447595547 /nfs/dbraw/zinc/59/55/47/447595547.db2.gz AVTKBGIGJQYDGX-IRXDYDNUSA-N 2 2 339.505 1.568 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000450860864 447597133 /nfs/dbraw/zinc/59/71/33/447597133.db2.gz OXWBORTVRXSLSX-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000459173273 447605005 /nfs/dbraw/zinc/60/50/05/447605005.db2.gz JTPMNFAPULPPLP-UHFFFAOYSA-N 2 2 331.420 1.725 20 0 EDADLP CCC[NH2+]CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416890713 447703211 /nfs/dbraw/zinc/70/32/11/447703211.db2.gz MBCLBYIJGIXQSC-KRWDZBQOSA-N 2 2 334.464 1.359 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1cccc(F)c1 ZINC000416907580 447703831 /nfs/dbraw/zinc/70/38/31/447703831.db2.gz JAAXAMMTDPXXIN-CABCVRRESA-N 2 2 331.395 1.685 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000416911823 447705936 /nfs/dbraw/zinc/70/59/36/447705936.db2.gz DDRIICXMSYHCDN-UGFHNGPFSA-N 2 2 331.395 1.637 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000459400099 447653684 /nfs/dbraw/zinc/65/36/84/447653684.db2.gz ZHVTWBOBQGRFHX-UHFFFAOYSA-N 2 2 334.445 1.244 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000459400099 447653688 /nfs/dbraw/zinc/65/36/88/447653688.db2.gz ZHVTWBOBQGRFHX-UHFFFAOYSA-N 2 2 334.445 1.244 20 0 EDADLP C[C@@H]1CN(Cc2cnc(C3CC3)nc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000459562480 447706667 /nfs/dbraw/zinc/70/66/67/447706667.db2.gz PXZNQVYPIURTPT-OAHLLOKOSA-N 2 2 329.492 1.954 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnc(C3CC3)nc2)CCN1C1CC[NH+](C)CC1 ZINC000459562480 447706669 /nfs/dbraw/zinc/70/66/69/447706669.db2.gz PXZNQVYPIURTPT-OAHLLOKOSA-N 2 2 329.492 1.954 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnc(C3CC3)nc2)CCN1C1CC[NH+](C)CC1 ZINC000459562480 447706674 /nfs/dbraw/zinc/70/66/74/447706674.db2.gz PXZNQVYPIURTPT-OAHLLOKOSA-N 2 2 329.492 1.954 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422585236 447655616 /nfs/dbraw/zinc/65/56/16/447655616.db2.gz BZOQGULZSFGUHV-HNNXBMFYSA-N 2 2 332.448 1.163 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422585236 447655619 /nfs/dbraw/zinc/65/56/19/447655619.db2.gz BZOQGULZSFGUHV-HNNXBMFYSA-N 2 2 332.448 1.163 20 0 EDADLP C[NH+]1CCC(CNC(=O)NC(C)(C)CC[NH3+])([NH+]2CCCCC2)CC1 ZINC000422605343 447666726 /nfs/dbraw/zinc/66/67/26/447666726.db2.gz PZAQGGAEHPHLBA-UHFFFAOYSA-N 3 2 339.528 1.363 20 0 EDADLP O[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N(Cc2ccccc2)C1 ZINC000459452592 447670741 /nfs/dbraw/zinc/67/07/41/447670741.db2.gz MFZOBVSUVOYJJF-VQTJNVASSA-N 2 2 329.488 1.838 20 0 EDADLP COCC1(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)CC[NH2+]CC1 ZINC000420240431 447682860 /nfs/dbraw/zinc/68/28/60/447682860.db2.gz LZMYRXPMXADBRX-CABCVRRESA-N 2 2 349.479 1.112 20 0 EDADLP COCC1(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC[NH2+]CC1 ZINC000420240431 447682863 /nfs/dbraw/zinc/68/28/63/447682863.db2.gz LZMYRXPMXADBRX-CABCVRRESA-N 2 2 349.479 1.112 20 0 EDADLP [NH3+]CCN(CCc1ccccc1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000420238052 447682918 /nfs/dbraw/zinc/68/29/18/447682918.db2.gz IOPAEZGYRJCIHW-UHFFFAOYSA-N 2 2 327.432 1.321 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422640929 447685522 /nfs/dbraw/zinc/68/55/22/447685522.db2.gz WOSHGMHOFHHPGE-YCPHGPKFSA-N 2 2 346.475 1.680 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422640929 447685524 /nfs/dbraw/zinc/68/55/24/447685524.db2.gz WOSHGMHOFHHPGE-YCPHGPKFSA-N 2 2 346.475 1.680 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000428306771 447688575 /nfs/dbraw/zinc/68/85/75/447688575.db2.gz QTUARDXNBAWOFH-GVDBMIGSSA-N 2 2 346.475 1.354 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000428306771 447688578 /nfs/dbraw/zinc/68/85/78/447688578.db2.gz QTUARDXNBAWOFH-GVDBMIGSSA-N 2 2 346.475 1.354 20 0 EDADLP C[C@@]1(C[NH3+])CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000416941455 447718850 /nfs/dbraw/zinc/71/88/50/447718850.db2.gz QIZYDXFPJRPTPT-SFHVURJKSA-N 2 2 331.464 1.952 20 0 EDADLP CCCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000429096821 447726045 /nfs/dbraw/zinc/72/60/45/447726045.db2.gz FEPJWDFQZHGLCD-GOSISDBHSA-N 2 2 331.460 1.733 20 0 EDADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000422728934 447731314 /nfs/dbraw/zinc/73/13/14/447731314.db2.gz HAKMGBQIOPQNIX-FGTMMUONSA-N 2 2 331.460 1.707 20 0 EDADLP C[NH+](C)CCOc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422746956 447737215 /nfs/dbraw/zinc/73/72/15/447737215.db2.gz XRTOGHDYFGBSLK-VQTJNVASSA-N 3 2 347.503 1.526 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000422795771 447751930 /nfs/dbraw/zinc/75/19/30/447751930.db2.gz WPUVALFUIVHGMZ-NEWSRXKRSA-N 2 2 333.476 1.417 20 0 EDADLP CC(C)CO[C@@H]1CC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496345770 447758061 /nfs/dbraw/zinc/75/80/61/447758061.db2.gz OCLZRFPSFPVSKX-AEFFLSMTSA-N 2 2 337.464 1.607 20 0 EDADLP CC(C)CO[C@@H]1CC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496345770 447758064 /nfs/dbraw/zinc/75/80/64/447758064.db2.gz OCLZRFPSFPVSKX-AEFFLSMTSA-N 2 2 337.464 1.607 20 0 EDADLP c1cnn(-c2ccc(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000422824816 447760831 /nfs/dbraw/zinc/76/08/31/447760831.db2.gz OMXHSCVAOQANCD-RBUKOAKNSA-N 2 2 326.444 1.771 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1)[NH+](CC)CC ZINC000471757705 447813089 /nfs/dbraw/zinc/81/30/89/447813089.db2.gz RPTAUHNUCGDUNJ-GJZGRUSLSA-N 2 2 327.469 1.203 20 0 EDADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422845844 447767489 /nfs/dbraw/zinc/76/74/89/447767489.db2.gz OWRSBWHFQQILQP-IRXDYDNUSA-N 3 2 345.491 1.241 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000430268577 447767885 /nfs/dbraw/zinc/76/78/85/447767885.db2.gz KLZRFPXLFBGZOV-OAHLLOKOSA-N 2 2 345.447 1.873 20 0 EDADLP CC(=O)Nc1cccc(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422936825 447775710 /nfs/dbraw/zinc/77/57/10/447775710.db2.gz CAKKYRBTBKDYBZ-MSOLQXFVSA-N 2 2 333.432 1.380 20 0 EDADLP CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc(C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422944164 447777552 /nfs/dbraw/zinc/77/75/52/447777552.db2.gz ZJYCNMSXTFZZQZ-DLBZAZTESA-N 2 2 339.505 1.784 20 0 EDADLP O=C(NC1CC1)c1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422950639 447778964 /nfs/dbraw/zinc/77/89/64/447778964.db2.gz YSTGDUDCAGBVLC-MSOLQXFVSA-N 2 2 329.444 1.435 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422961998 447781825 /nfs/dbraw/zinc/78/18/25/447781825.db2.gz BMQFFGYPLKKXGB-YOEHRIQHSA-N 3 2 326.444 1.564 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422961998 447781830 /nfs/dbraw/zinc/78/18/30/447781830.db2.gz BMQFFGYPLKKXGB-YOEHRIQHSA-N 3 2 326.444 1.564 20 0 EDADLP COCCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000422977550 447786403 /nfs/dbraw/zinc/78/64/03/447786403.db2.gz XAFXXHGVZMCHFX-BRWVUGGUSA-N 2 2 335.448 1.354 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)C1C[NH2+]C1 ZINC000423085430 447802496 /nfs/dbraw/zinc/80/24/96/447802496.db2.gz JXHXIJFPBRRTOH-YGRLFVJLSA-N 2 2 338.249 1.752 20 0 EDADLP CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423095314 447803832 /nfs/dbraw/zinc/80/38/32/447803832.db2.gz DSIKRDHISBDWLZ-IRXDYDNUSA-N 2 2 338.473 1.337 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000549126783 447864459 /nfs/dbraw/zinc/86/44/59/447864459.db2.gz JUGUEAVGZGLEEX-SJLPKXTDSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000549126783 447864466 /nfs/dbraw/zinc/86/44/66/447864466.db2.gz JUGUEAVGZGLEEX-SJLPKXTDSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000549126783 447864479 /nfs/dbraw/zinc/86/44/79/447864479.db2.gz JUGUEAVGZGLEEX-SJLPKXTDSA-N 2 2 331.460 1.345 20 0 EDADLP CCc1nc(C)c(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000489906241 447879561 /nfs/dbraw/zinc/87/95/61/447879561.db2.gz BBJOIFLHNVXCBC-UHFFFAOYSA-N 2 2 337.468 1.371 20 0 EDADLP Cc1ccc(-c2nc(CNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])co2)cc1 ZINC000575733680 447883831 /nfs/dbraw/zinc/88/38/31/447883831.db2.gz QXODXDKISWQJMF-INIZCTEOSA-N 2 2 343.431 1.434 20 0 EDADLP COc1cc2cc[nH+]c(N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2cc1F ZINC000575762948 447894333 /nfs/dbraw/zinc/89/43/33/447894333.db2.gz LAWFCSRZDXXGNB-RISCZKNCSA-N 2 2 330.363 1.131 20 0 EDADLP CN1CC[NH+](Cc2cccc(NC(=O)COC3CC[NH2+]CC3)c2)CC1 ZINC000569840614 447904365 /nfs/dbraw/zinc/90/43/65/447904365.db2.gz CZECQFJASDGWHH-UHFFFAOYSA-N 2 2 346.475 1.141 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CCO1 ZINC000530622925 447928546 /nfs/dbraw/zinc/92/85/46/447928546.db2.gz SOZHCXOHAWOLHP-CRAIPNDOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CCO1 ZINC000530622925 447928548 /nfs/dbraw/zinc/92/85/48/447928548.db2.gz SOZHCXOHAWOLHP-CRAIPNDOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000530622925 447928553 /nfs/dbraw/zinc/92/85/53/447928553.db2.gz SOZHCXOHAWOLHP-CRAIPNDOSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000530622925 447928556 /nfs/dbraw/zinc/92/85/56/447928556.db2.gz SOZHCXOHAWOLHP-CRAIPNDOSA-N 2 2 349.450 1.627 20 0 EDADLP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000570322534 447985486 /nfs/dbraw/zinc/98/54/86/447985486.db2.gz JQPAIARCVOHXPZ-QKLQHJQFSA-N 3 2 349.519 1.698 20 0 EDADLP CC[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000570322534 447985498 /nfs/dbraw/zinc/98/54/98/447985498.db2.gz JQPAIARCVOHXPZ-QKLQHJQFSA-N 3 2 349.519 1.698 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C[NH+]3CC(C)(C)C3)c2)CCO1 ZINC000553383278 447987187 /nfs/dbraw/zinc/98/71/87/447987187.db2.gz MFGAHQCFKPDEAZ-INIZCTEOSA-N 2 2 345.487 1.865 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C[NH+]3CC(C)(C)C3)c2)CCO1 ZINC000553383278 447987189 /nfs/dbraw/zinc/98/71/89/447987189.db2.gz MFGAHQCFKPDEAZ-INIZCTEOSA-N 2 2 345.487 1.865 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000576197861 447996148 /nfs/dbraw/zinc/99/61/48/447996148.db2.gz XPGKJBKUXGEPSW-WFASDCNBSA-N 2 2 346.456 1.582 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000576197861 447996151 /nfs/dbraw/zinc/99/61/51/447996151.db2.gz XPGKJBKUXGEPSW-WFASDCNBSA-N 2 2 346.456 1.582 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4n[nH]cc4c3)CC2)CC1 ZINC000531074467 448014312 /nfs/dbraw/zinc/01/43/12/448014312.db2.gz XNHOHTWYWYELBK-UHFFFAOYSA-N 2 2 341.459 1.851 20 0 EDADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC(n2cc[nH+]c2)C1 ZINC000531062116 448012332 /nfs/dbraw/zinc/01/23/32/448012332.db2.gz DNCPTEZINMCWNM-GOSISDBHSA-N 2 2 340.427 1.558 20 0 EDADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC(n2cc[nH+]c2)C1 ZINC000531062116 448012340 /nfs/dbraw/zinc/01/23/40/448012340.db2.gz DNCPTEZINMCWNM-GOSISDBHSA-N 2 2 340.427 1.558 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc(OC)c1 ZINC000530858871 447972577 /nfs/dbraw/zinc/97/25/77/447972577.db2.gz YJOQTGQNFWGPST-MRXNPFEDSA-N 2 2 347.459 1.300 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc(OC)c1 ZINC000530858871 447972581 /nfs/dbraw/zinc/97/25/81/447972581.db2.gz YJOQTGQNFWGPST-MRXNPFEDSA-N 2 2 347.459 1.300 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000570579335 448032131 /nfs/dbraw/zinc/03/21/31/448032131.db2.gz KZAOQDRMYBEQIY-GDBMZVCRSA-N 2 2 336.505 1.204 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000570579335 448032135 /nfs/dbraw/zinc/03/21/35/448032135.db2.gz KZAOQDRMYBEQIY-GDBMZVCRSA-N 2 2 336.505 1.204 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000570642221 448042338 /nfs/dbraw/zinc/04/23/38/448042338.db2.gz FCWHCTUOCLVAKQ-HIFRSBDPSA-N 2 2 326.485 1.536 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000570642221 448042340 /nfs/dbraw/zinc/04/23/40/448042340.db2.gz FCWHCTUOCLVAKQ-HIFRSBDPSA-N 2 2 326.485 1.536 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000576450088 448056577 /nfs/dbraw/zinc/05/65/77/448056577.db2.gz BDIJUZNHJNLGMO-WMLDXEAASA-N 2 2 342.447 1.136 20 0 EDADLP COc1ncccc1CC[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000570447253 448016584 /nfs/dbraw/zinc/01/65/84/448016584.db2.gz YTWWYAHQEYVEDO-LJQANCHMSA-N 2 2 341.455 1.642 20 0 EDADLP COc1ncccc1CC[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000570447253 448016592 /nfs/dbraw/zinc/01/65/92/448016592.db2.gz YTWWYAHQEYVEDO-LJQANCHMSA-N 2 2 341.455 1.642 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000531837938 448157087 /nfs/dbraw/zinc/15/70/87/448157087.db2.gz FWORJCZBPDAUJH-OAGGEKHMSA-N 2 2 335.452 1.196 20 0 EDADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000531837938 448157091 /nfs/dbraw/zinc/15/70/91/448157091.db2.gz FWORJCZBPDAUJH-OAGGEKHMSA-N 2 2 335.452 1.196 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884768 448163128 /nfs/dbraw/zinc/16/31/28/448163128.db2.gz LIGXNWCPVYZHSH-YZGWKJHDSA-N 2 2 347.503 1.875 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884768 448163133 /nfs/dbraw/zinc/16/31/33/448163133.db2.gz LIGXNWCPVYZHSH-YZGWKJHDSA-N 2 2 347.503 1.875 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000526975017 448129141 /nfs/dbraw/zinc/12/91/41/448129141.db2.gz VQUPJFFKSQUUSV-CVEARBPZSA-N 2 2 348.495 1.530 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000526975017 448129146 /nfs/dbraw/zinc/12/91/46/448129146.db2.gz VQUPJFFKSQUUSV-CVEARBPZSA-N 2 2 348.495 1.530 20 0 EDADLP FC1(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000526978728 448130312 /nfs/dbraw/zinc/13/03/12/448130312.db2.gz NACVCWVUJIJHBX-CQSZACIVSA-N 2 2 335.427 1.374 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000576747805 448130480 /nfs/dbraw/zinc/13/04/80/448130480.db2.gz CUDINPGICFXWIL-ROUUACIJSA-N 2 2 349.519 1.559 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000576747805 448130484 /nfs/dbraw/zinc/13/04/84/448130484.db2.gz CUDINPGICFXWIL-ROUUACIJSA-N 2 2 349.519 1.559 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000576797179 448139530 /nfs/dbraw/zinc/13/95/30/448139530.db2.gz ZWGBBAOJIWCBNJ-UHFFFAOYSA-N 2 2 327.388 1.041 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000576797179 448139532 /nfs/dbraw/zinc/13/95/32/448139532.db2.gz ZWGBBAOJIWCBNJ-UHFFFAOYSA-N 2 2 327.388 1.041 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000576835007 448151979 /nfs/dbraw/zinc/15/19/79/448151979.db2.gz ZQYWZVDYBQGKOZ-QZTJIDSGSA-N 2 2 333.476 1.063 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000576835007 448151981 /nfs/dbraw/zinc/15/19/81/448151981.db2.gz ZQYWZVDYBQGKOZ-QZTJIDSGSA-N 2 2 333.476 1.063 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000576835007 448151984 /nfs/dbraw/zinc/15/19/84/448151984.db2.gz ZQYWZVDYBQGKOZ-QZTJIDSGSA-N 2 2 333.476 1.063 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000576835007 448151988 /nfs/dbraw/zinc/15/19/88/448151988.db2.gz ZQYWZVDYBQGKOZ-QZTJIDSGSA-N 2 2 333.476 1.063 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC000571615209 448177309 /nfs/dbraw/zinc/17/73/09/448177309.db2.gz AOBGSRUULKRQSI-WBVHZDCISA-N 2 2 325.416 1.718 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC000571615209 448177316 /nfs/dbraw/zinc/17/73/16/448177316.db2.gz AOBGSRUULKRQSI-WBVHZDCISA-N 2 2 325.416 1.718 20 0 EDADLP CCOC(=O)CC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000514654773 448179614 /nfs/dbraw/zinc/17/96/14/448179614.db2.gz VCLPVMYUFCKYLU-CQSZACIVSA-N 2 2 335.379 1.805 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000514837827 448211180 /nfs/dbraw/zinc/21/11/80/448211180.db2.gz JWTMXHIBRZLXFN-MRXNPFEDSA-N 2 2 339.528 1.044 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000514837827 448211182 /nfs/dbraw/zinc/21/11/82/448211182.db2.gz JWTMXHIBRZLXFN-MRXNPFEDSA-N 2 2 339.528 1.044 20 0 EDADLP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000576957747 448181837 /nfs/dbraw/zinc/18/18/37/448181837.db2.gz RQQUQLFJERFCKV-AWEZNQCLSA-N 2 2 335.448 1.914 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000497090036 448190618 /nfs/dbraw/zinc/19/06/18/448190618.db2.gz ORUCTAKSYHFCHD-YMAMQOFZSA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000497090036 448190624 /nfs/dbraw/zinc/19/06/24/448190624.db2.gz ORUCTAKSYHFCHD-YMAMQOFZSA-N 2 2 327.469 1.479 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000577013342 448192762 /nfs/dbraw/zinc/19/27/62/448192762.db2.gz QTAFOVXZNVIXSG-OAHLLOKOSA-N 2 2 346.475 1.859 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000577013342 448192766 /nfs/dbraw/zinc/19/27/66/448192766.db2.gz QTAFOVXZNVIXSG-OAHLLOKOSA-N 2 2 346.475 1.859 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000577073892 448206761 /nfs/dbraw/zinc/20/67/61/448206761.db2.gz URZBEPSYYASWCI-IKGGRYGDSA-N 2 2 347.507 1.605 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000577073892 448206764 /nfs/dbraw/zinc/20/67/64/448206764.db2.gz URZBEPSYYASWCI-IKGGRYGDSA-N 2 2 347.507 1.605 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)n1C ZINC000556875612 448169423 /nfs/dbraw/zinc/16/94/23/448169423.db2.gz KHMQAWVYGQZTJS-HNNXBMFYSA-N 2 2 333.480 1.757 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NCc1ccccc1C[NH+]1CCCC1 ZINC000571895853 448230456 /nfs/dbraw/zinc/23/04/56/448230456.db2.gz XFKAZMITIOXOLG-UHFFFAOYSA-N 2 2 337.431 2.153 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1OC ZINC000571843399 448214809 /nfs/dbraw/zinc/21/48/09/448214809.db2.gz QSKDSLCYQZMZOQ-ROUUACIJSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1OC ZINC000571843399 448214814 /nfs/dbraw/zinc/21/48/14/448214814.db2.gz QSKDSLCYQZMZOQ-ROUUACIJSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000571843399 448214817 /nfs/dbraw/zinc/21/48/17/448214817.db2.gz QSKDSLCYQZMZOQ-ROUUACIJSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000571843399 448214824 /nfs/dbraw/zinc/21/48/24/448214824.db2.gz QSKDSLCYQZMZOQ-ROUUACIJSA-N 2 2 336.476 1.641 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000532209514 448216517 /nfs/dbraw/zinc/21/65/17/448216517.db2.gz MVNYRWOTJWRMDD-MAUKXSAKSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CC[N@H+]1C ZINC000532209514 448216520 /nfs/dbraw/zinc/21/65/20/448216520.db2.gz MVNYRWOTJWRMDD-MAUKXSAKSA-N 2 2 331.460 1.731 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C2 ZINC000571870831 448222042 /nfs/dbraw/zinc/22/20/42/448222042.db2.gz LAVQXFYOICNMLE-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)C2 ZINC000571870831 448222046 /nfs/dbraw/zinc/22/20/46/448222046.db2.gz LAVQXFYOICNMLE-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)CC2 ZINC000571870831 448222049 /nfs/dbraw/zinc/22/20/49/448222049.db2.gz LAVQXFYOICNMLE-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)CC2 ZINC000571870831 448222055 /nfs/dbraw/zinc/22/20/55/448222055.db2.gz LAVQXFYOICNMLE-GJZGRUSLSA-N 2 2 348.491 1.601 20 0 EDADLP CNc1[nH+]cnc2c1cnn2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000582539920 448267346 /nfs/dbraw/zinc/26/73/46/448267346.db2.gz WIQQRFCPMMIAMV-UHFFFAOYSA-N 2 2 338.415 1.749 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nnc2n1CCC2 ZINC000532453994 448262534 /nfs/dbraw/zinc/26/25/34/448262534.db2.gz ZVKYQPZZHXINJL-ZBFHGGJFSA-N 2 2 326.448 1.620 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nnc2n1CCC2 ZINC000532453994 448262539 /nfs/dbraw/zinc/26/25/39/448262539.db2.gz ZVKYQPZZHXINJL-ZBFHGGJFSA-N 2 2 326.448 1.620 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)[C@H](C[NH3+])C1 ZINC000582713637 448316848 /nfs/dbraw/zinc/31/68/48/448316848.db2.gz CBEKBVDZUVQUKX-OAHLLOKOSA-N 2 2 331.420 1.142 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)[C@H](C[NH3+])C1 ZINC000582713637 448316853 /nfs/dbraw/zinc/31/68/53/448316853.db2.gz CBEKBVDZUVQUKX-OAHLLOKOSA-N 2 2 331.420 1.142 20 0 EDADLP Cc1cc(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c[nH+]1 ZINC000582593838 448284634 /nfs/dbraw/zinc/28/46/34/448284634.db2.gz MQTCZAPKHFGLBS-ZDUSSCGKSA-N 2 2 345.369 1.078 20 0 EDADLP Cc1cccc(C)c1OCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572149004 448301976 /nfs/dbraw/zinc/30/19/76/448301976.db2.gz NFFIGWKKJYRDJB-KSZLIROESA-N 2 2 336.476 1.742 20 0 EDADLP Cc1cccc(C)c1OCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572149004 448301984 /nfs/dbraw/zinc/30/19/84/448301984.db2.gz NFFIGWKKJYRDJB-KSZLIROESA-N 2 2 336.476 1.742 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000577474643 448305549 /nfs/dbraw/zinc/30/55/49/448305549.db2.gz UYIMQSSFITYOIF-IKGGRYGDSA-N 2 2 338.496 1.256 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000577474643 448305555 /nfs/dbraw/zinc/30/55/55/448305555.db2.gz UYIMQSSFITYOIF-IKGGRYGDSA-N 2 2 338.496 1.256 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000582834656 448353387 /nfs/dbraw/zinc/35/33/87/448353387.db2.gz ZLVWWOCALAQKEK-BBWFWOEESA-N 3 2 339.528 1.029 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000582834656 448353396 /nfs/dbraw/zinc/35/33/96/448353396.db2.gz ZLVWWOCALAQKEK-BBWFWOEESA-N 3 2 339.528 1.029 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000582834656 448353403 /nfs/dbraw/zinc/35/34/03/448353403.db2.gz ZLVWWOCALAQKEK-BBWFWOEESA-N 3 2 339.528 1.029 20 0 EDADLP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000582834656 448353410 /nfs/dbraw/zinc/35/34/10/448353410.db2.gz ZLVWWOCALAQKEK-BBWFWOEESA-N 3 2 339.528 1.029 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591578465 448394696 /nfs/dbraw/zinc/39/46/96/448394696.db2.gz GXDQXMQHAXBMGQ-UHFFFAOYSA-N 2 2 334.464 1.222 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000516297752 448409943 /nfs/dbraw/zinc/40/99/43/448409943.db2.gz MFGVTACAGUMKDO-UHFFFAOYSA-N 2 2 342.377 1.730 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000516762035 448469907 /nfs/dbraw/zinc/46/99/07/448469907.db2.gz SBTSRHMGBNUUAX-FQEVSTJZSA-N 3 2 346.519 1.243 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000516762035 448469911 /nfs/dbraw/zinc/46/99/11/448469911.db2.gz SBTSRHMGBNUUAX-FQEVSTJZSA-N 3 2 346.519 1.243 20 0 EDADLP OCC1([NH2+]CC2CC2)CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000572648826 448432049 /nfs/dbraw/zinc/43/20/49/448432049.db2.gz RMKYFQPUSVLABS-UHFFFAOYSA-N 2 2 332.444 1.784 20 0 EDADLP Cn1c2ccccc2[nH+]c1NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000528127261 448438977 /nfs/dbraw/zinc/43/89/77/448438977.db2.gz ACNYZDRMOYRJGK-GOSISDBHSA-N 2 2 330.432 1.601 20 0 EDADLP Cn1c2ccccc2[nH+]c1NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000528127261 448438980 /nfs/dbraw/zinc/43/89/80/448438980.db2.gz ACNYZDRMOYRJGK-GOSISDBHSA-N 2 2 330.432 1.601 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000578013265 448440878 /nfs/dbraw/zinc/44/08/78/448440878.db2.gz KCPBABWDYJBXQU-CABCVRRESA-N 2 2 349.479 1.144 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000572703510 448441915 /nfs/dbraw/zinc/44/19/15/448441915.db2.gz KJDCKKQTUJKLAP-ICSRJNTNSA-N 2 2 349.519 1.522 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000572703510 448441921 /nfs/dbraw/zinc/44/19/21/448441921.db2.gz KJDCKKQTUJKLAP-ICSRJNTNSA-N 2 2 349.519 1.522 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703510 448441924 /nfs/dbraw/zinc/44/19/24/448441924.db2.gz KJDCKKQTUJKLAP-ICSRJNTNSA-N 2 2 349.519 1.522 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703510 448441928 /nfs/dbraw/zinc/44/19/28/448441928.db2.gz KJDCKKQTUJKLAP-ICSRJNTNSA-N 2 2 349.519 1.522 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703510 448441934 /nfs/dbraw/zinc/44/19/34/448441934.db2.gz KJDCKKQTUJKLAP-ICSRJNTNSA-N 2 2 349.519 1.522 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703510 448441938 /nfs/dbraw/zinc/44/19/38/448441938.db2.gz KJDCKKQTUJKLAP-ICSRJNTNSA-N 2 2 349.519 1.522 20 0 EDADLP O=C(C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572725118 448450477 /nfs/dbraw/zinc/45/04/77/448450477.db2.gz VLBJEUOHDGVTEO-HUUCEWRRSA-N 2 2 345.447 1.160 20 0 EDADLP C[NH+]1CCC(O)(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000578103366 448460943 /nfs/dbraw/zinc/46/09/43/448460943.db2.gz AHCIMPPTGDKZFH-UHFFFAOYSA-N 2 2 342.443 1.047 20 0 EDADLP C[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+]1CC(C)C1 ZINC000572779624 448462655 /nfs/dbraw/zinc/46/26/55/448462655.db2.gz PXTUKYGATSGDFZ-QRQLOZEOSA-N 2 2 345.487 1.326 20 0 EDADLP C[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+]1CC(C)C1 ZINC000572779624 448462660 /nfs/dbraw/zinc/46/26/60/448462660.db2.gz PXTUKYGATSGDFZ-QRQLOZEOSA-N 2 2 345.487 1.326 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccccc2-n2cccn2)C[C@H](C)O1 ZINC000572834726 448474576 /nfs/dbraw/zinc/47/45/76/448474576.db2.gz XWZZMBQSKUDQRZ-JZXOWHBKSA-N 2 2 344.459 1.432 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccccc2-n2cccn2)C[C@H](C)O1 ZINC000572834726 448474579 /nfs/dbraw/zinc/47/45/79/448474579.db2.gz XWZZMBQSKUDQRZ-JZXOWHBKSA-N 2 2 344.459 1.432 20 0 EDADLP COc1ccc(COC[C@@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000578187763 448479963 /nfs/dbraw/zinc/47/99/63/448479963.db2.gz VGBSWYUKSJDXSS-CVEARBPZSA-N 2 2 331.416 1.374 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+]1CC(C)C1 ZINC000584359399 448498622 /nfs/dbraw/zinc/49/86/22/448498622.db2.gz BDQKXDWJTTWJSE-ZDUSSCGKSA-N 2 2 346.431 1.435 20 0 EDADLP CC(C)C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)[NH+]1CCOCC1 ZINC000578295579 448507514 /nfs/dbraw/zinc/50/75/14/448507514.db2.gz WPZAWQLMXPTFSW-BZUAXINKSA-N 2 2 349.479 1.935 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N2CC[NH2+][C@H](C)C2)[NH+]2CCOCC2)c1 ZINC000566786437 448558536 /nfs/dbraw/zinc/55/85/36/448558536.db2.gz JVOFQBHWGXIXIO-AEFFLSMTSA-N 2 2 346.475 1.372 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CCC(C)C)CC2)CC1 ZINC000517363411 448575763 /nfs/dbraw/zinc/57/57/63/448575763.db2.gz KXPVPNOJWWPHOC-UHFFFAOYSA-N 2 2 345.553 1.854 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CCC(C)C)CC2)CC1 ZINC000517363411 448575767 /nfs/dbraw/zinc/57/57/67/448575767.db2.gz KXPVPNOJWWPHOC-UHFFFAOYSA-N 2 2 345.553 1.854 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccccc3OC3CCCC3)CCN2C1=O ZINC000517175401 448548799 /nfs/dbraw/zinc/54/87/99/448548799.db2.gz DUYSXHLRLIAEAZ-DOTOQJQBSA-N 2 2 329.444 1.752 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3OC3CCCC3)CCN2C1=O ZINC000517175401 448548809 /nfs/dbraw/zinc/54/88/09/448548809.db2.gz DUYSXHLRLIAEAZ-DOTOQJQBSA-N 2 2 329.444 1.752 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000573117637 448549132 /nfs/dbraw/zinc/54/91/32/448549132.db2.gz IOKCPONWYCUNHL-UONOGXRCSA-N 2 2 327.469 1.012 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000573117637 448549136 /nfs/dbraw/zinc/54/91/36/448549136.db2.gz IOKCPONWYCUNHL-UONOGXRCSA-N 2 2 327.469 1.012 20 0 EDADLP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000584519369 448553966 /nfs/dbraw/zinc/55/39/66/448553966.db2.gz FEFUDCHJUPDYPV-HUUCEWRRSA-N 2 2 326.391 1.700 20 0 EDADLP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000584519369 448553970 /nfs/dbraw/zinc/55/39/70/448553970.db2.gz FEFUDCHJUPDYPV-HUUCEWRRSA-N 2 2 326.391 1.700 20 0 EDADLP Cc1[nH+]cn(-c2ccc(NC[C@@H](O)C[NH+]3CCOCC3)cc2)c1C ZINC000517733940 448610883 /nfs/dbraw/zinc/61/08/83/448610883.db2.gz JAIZXZXVZBRDOI-GOSISDBHSA-N 2 2 330.432 1.594 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000517514706 448588471 /nfs/dbraw/zinc/58/84/71/448588471.db2.gz DRHXWOOFKKCEIT-KFWWJZLASA-N 2 2 335.452 1.545 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)C1 ZINC000517514706 448588475 /nfs/dbraw/zinc/58/84/75/448588475.db2.gz DRHXWOOFKKCEIT-KFWWJZLASA-N 2 2 335.452 1.545 20 0 EDADLP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000578627548 448597174 /nfs/dbraw/zinc/59/71/74/448597174.db2.gz YPJAJNUQWCQCMA-WBVHZDCISA-N 2 2 330.476 1.556 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2coc(-c3cccs3)n2)[C@@H](C[NH3+])C1 ZINC000567030630 448601723 /nfs/dbraw/zinc/60/17/23/448601723.db2.gz LRVDROXPESBPMJ-LBPRGKRZSA-N 2 2 335.433 1.187 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2coc(-c3cccs3)n2)[C@@H](C[NH3+])C1 ZINC000567030630 448601732 /nfs/dbraw/zinc/60/17/32/448601732.db2.gz LRVDROXPESBPMJ-LBPRGKRZSA-N 2 2 335.433 1.187 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CCO1 ZINC000528706986 448639275 /nfs/dbraw/zinc/63/92/75/448639275.db2.gz FRBMIJNONKSSHN-MRXNPFEDSA-N 2 2 348.447 1.401 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CCO1 ZINC000528706986 448639280 /nfs/dbraw/zinc/63/92/80/448639280.db2.gz FRBMIJNONKSSHN-MRXNPFEDSA-N 2 2 348.447 1.401 20 0 EDADLP CNc1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)[nH+]c2ccccc21 ZINC000584820219 448640841 /nfs/dbraw/zinc/64/08/41/448640841.db2.gz LVPRDRVFKVXGMW-CQSZACIVSA-N 2 2 327.432 1.830 20 0 EDADLP CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000584827260 448645387 /nfs/dbraw/zinc/64/53/87/448645387.db2.gz BEFXOIIEAOZECK-CJNGLKHVSA-N 2 2 347.463 1.322 20 0 EDADLP CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000584827260 448645392 /nfs/dbraw/zinc/64/53/92/448645392.db2.gz BEFXOIIEAOZECK-CJNGLKHVSA-N 2 2 347.463 1.322 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)[C@@H](C[NH3+])C1 ZINC000518132687 448647483 /nfs/dbraw/zinc/64/74/83/448647483.db2.gz AANZQQYHLOBFAU-ZDUSSCGKSA-N 2 2 348.838 1.632 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)[C@@H](C[NH3+])C1 ZINC000518132687 448647485 /nfs/dbraw/zinc/64/74/85/448647485.db2.gz AANZQQYHLOBFAU-ZDUSSCGKSA-N 2 2 348.838 1.632 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000528730878 448649651 /nfs/dbraw/zinc/64/96/51/448649651.db2.gz VKGCBNRMLNVNPF-CALCHBBNSA-N 2 2 325.497 1.282 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CCC(C)([NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000528730878 448649656 /nfs/dbraw/zinc/64/96/56/448649656.db2.gz VKGCBNRMLNVNPF-CALCHBBNSA-N 2 2 325.497 1.282 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000518168526 448650600 /nfs/dbraw/zinc/65/06/00/448650600.db2.gz FUOCKFVVKNDYGH-JKSUJKDBSA-N 2 2 347.459 1.608 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000518168526 448650607 /nfs/dbraw/zinc/65/06/07/448650607.db2.gz FUOCKFVVKNDYGH-JKSUJKDBSA-N 2 2 347.459 1.608 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000528732011 448651324 /nfs/dbraw/zinc/65/13/24/448651324.db2.gz WVOIFDWUPAPUPL-GOSISDBHSA-N 2 2 348.487 1.921 20 0 EDADLP O=C(C1CC1)N1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000578856120 448651525 /nfs/dbraw/zinc/65/15/25/448651525.db2.gz CVLIFEILIDFBLJ-UHFFFAOYSA-N 2 2 343.471 1.573 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000517925449 448630422 /nfs/dbraw/zinc/63/04/22/448630422.db2.gz KBHCNLAYVSYGDV-HZPDHXFCSA-N 2 2 331.416 1.374 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3n[nH]c(C)n3)CC2)CC1 ZINC000567177898 448631703 /nfs/dbraw/zinc/63/17/03/448631703.db2.gz QTDYYRMRDWKBCK-CYBMUJFWSA-N 2 2 348.495 1.487 20 0 EDADLP C[C@@H]([NH2+][C@H]1COCC1(C)C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000573673944 448685462 /nfs/dbraw/zinc/68/54/62/448685462.db2.gz BGBHNODQVFAWHO-CABCVRRESA-N 2 2 332.448 1.133 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccon2)CC1 ZINC000541718524 448686085 /nfs/dbraw/zinc/68/60/85/448686085.db2.gz LOKHQVQSAOFQSQ-MRXNPFEDSA-N 2 2 342.443 1.978 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccn(C)n1 ZINC000541779481 448693360 /nfs/dbraw/zinc/69/33/60/448693360.db2.gz VQXYIYPEOUGVOW-HIFRSBDPSA-N 2 2 330.436 1.386 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000579095427 448712894 /nfs/dbraw/zinc/71/28/94/448712894.db2.gz SYWISFNUPISTGN-OAHLLOKOSA-N 2 2 347.463 1.322 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000579095427 448712897 /nfs/dbraw/zinc/71/28/97/448712897.db2.gz SYWISFNUPISTGN-OAHLLOKOSA-N 2 2 347.463 1.322 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(=O)[nH]n3)c2cc1C ZINC000573834942 448726310 /nfs/dbraw/zinc/72/63/10/448726310.db2.gz IGZPSDUOKYQYLO-AWEZNQCLSA-N 2 2 327.388 1.299 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)C[NH2+]C(C)C)CCCC2)no1 ZINC000579260174 448756592 /nfs/dbraw/zinc/75/65/92/448756592.db2.gz BWVINJOXKXPQSP-UHFFFAOYSA-N 2 2 337.468 1.795 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000579471174 448801708 /nfs/dbraw/zinc/80/17/08/448801708.db2.gz LFPXYABHUXUSIP-YJBOKZPZSA-N 2 2 347.459 1.216 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529293751 448809883 /nfs/dbraw/zinc/80/98/83/448809883.db2.gz ZGBGHEXQEXZKAS-GOEBONIOSA-N 2 2 335.452 1.072 20 0 EDADLP CCN1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000579511493 448812530 /nfs/dbraw/zinc/81/25/30/448812530.db2.gz IVVZBCQHZDQLCF-HOTGVXAUSA-N 2 2 333.480 1.879 20 0 EDADLP CCN1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000579511493 448812533 /nfs/dbraw/zinc/81/25/33/448812533.db2.gz IVVZBCQHZDQLCF-HOTGVXAUSA-N 2 2 333.480 1.879 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000567854143 448774645 /nfs/dbraw/zinc/77/46/45/448774645.db2.gz DGRUSGXWUPBGOJ-KRWDZBQOSA-N 2 2 327.432 1.661 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000567854143 448774647 /nfs/dbraw/zinc/77/46/47/448774647.db2.gz DGRUSGXWUPBGOJ-KRWDZBQOSA-N 2 2 327.432 1.661 20 0 EDADLP CNC(=O)[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)Cc1ccc(OC)c(F)c1 ZINC000519538518 448780768 /nfs/dbraw/zinc/78/07/68/448780768.db2.gz DVTWEMSSJQJBOL-INWMFGNUSA-N 2 2 337.439 1.327 20 0 EDADLP [NH3+]CCCCn1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)nn1 ZINC000579468909 448800725 /nfs/dbraw/zinc/80/07/25/448800725.db2.gz PGFSCPOZHCISJT-UHFFFAOYSA-N 2 2 339.403 1.133 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)NCC1CC[NH+](C)CC1)C(F)(F)F ZINC000574289471 448837219 /nfs/dbraw/zinc/83/72/19/448837219.db2.gz DWCUOVZDYOITNQ-GFCCVEGCSA-N 2 2 332.370 1.914 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000529353236 448837670 /nfs/dbraw/zinc/83/76/70/448837670.db2.gz FZDAKXMYPHZNIG-KRWDZBQOSA-N 2 2 346.450 1.938 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000579691549 448853814 /nfs/dbraw/zinc/85/38/14/448853814.db2.gz OJKHZNRLBYTDOB-WBVHZDCISA-N 2 2 346.475 1.835 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592479171 448854419 /nfs/dbraw/zinc/85/44/19/448854419.db2.gz TUZQKCHPEZCKDG-WBVHZDCISA-N 2 2 345.443 1.876 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592479171 448854422 /nfs/dbraw/zinc/85/44/22/448854422.db2.gz TUZQKCHPEZCKDG-WBVHZDCISA-N 2 2 345.443 1.876 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581430 448908316 /nfs/dbraw/zinc/90/83/16/448908316.db2.gz KHOHNFTZCWHXMM-RYUDHWBXSA-N 2 2 330.354 1.763 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000574581430 448908321 /nfs/dbraw/zinc/90/83/21/448908321.db2.gz KHOHNFTZCWHXMM-RYUDHWBXSA-N 2 2 330.354 1.763 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C2 ZINC000568825802 448922235 /nfs/dbraw/zinc/92/22/35/448922235.db2.gz MWAYRJLXZJJDPZ-INIZCTEOSA-N 2 2 347.507 1.286 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC(C)(C)CCN1CC[NH+](C)CC1)C2 ZINC000568825802 448922240 /nfs/dbraw/zinc/92/22/40/448922240.db2.gz MWAYRJLXZJJDPZ-INIZCTEOSA-N 2 2 347.507 1.286 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000547953147 448952849 /nfs/dbraw/zinc/95/28/49/448952849.db2.gz IPFNOTBADOATDX-MRXNPFEDSA-N 2 2 327.432 1.759 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000529836614 448978477 /nfs/dbraw/zinc/97/84/77/448978477.db2.gz QSHKJVYDQNXFEK-PBHICJAKSA-N 2 2 342.443 1.988 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000529836614 448978478 /nfs/dbraw/zinc/97/84/78/448978478.db2.gz QSHKJVYDQNXFEK-PBHICJAKSA-N 2 2 342.443 1.988 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000529836614 448978479 /nfs/dbraw/zinc/97/84/79/448978479.db2.gz QSHKJVYDQNXFEK-PBHICJAKSA-N 2 2 342.443 1.988 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000529836614 448978480 /nfs/dbraw/zinc/97/84/80/448978480.db2.gz QSHKJVYDQNXFEK-PBHICJAKSA-N 2 2 342.443 1.988 20 0 EDADLP Cc1ccc([C@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)[NH+](C)C)cc1 ZINC000569326205 449001967 /nfs/dbraw/zinc/00/19/67/449001967.db2.gz MLHBQOMDVCLUSI-WUJZJPHMSA-N 2 2 344.459 1.708 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039296 449019050 /nfs/dbraw/zinc/01/90/50/449019050.db2.gz DPIMPZXLFTVBSN-WOJBJXKFSA-N 3 2 346.519 1.020 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039296 449019058 /nfs/dbraw/zinc/01/90/58/449019058.db2.gz DPIMPZXLFTVBSN-WOJBJXKFSA-N 3 2 346.519 1.020 20 0 EDADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000521985467 449035875 /nfs/dbraw/zinc/03/58/75/449035875.db2.gz IEBWGTPDBLWZQQ-LZLYRXPVSA-N 2 2 346.475 1.452 20 0 EDADLP C[N@H+](CCC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000575083057 449031728 /nfs/dbraw/zinc/03/17/28/449031728.db2.gz NRYKICDUXPTTNV-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[N@@H+](CCC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCCCC1 ZINC000575083057 449031732 /nfs/dbraw/zinc/03/17/32/449031732.db2.gz NRYKICDUXPTTNV-UHFFFAOYSA-N 2 2 325.497 1.868 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cnc(C4CC4)nc3)[nH+]c2)C1 ZINC000581929569 448989881 /nfs/dbraw/zinc/98/98/81/448989881.db2.gz SMGFVHWMSAJHKM-QGZVFWFLSA-N 2 2 338.459 2.501 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548656885 449072856 /nfs/dbraw/zinc/07/28/56/449072856.db2.gz WVYJBVIXRLBDOQ-CABCVRRESA-N 2 2 342.447 1.831 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000548677634 449076918 /nfs/dbraw/zinc/07/69/18/449076918.db2.gz DETCZNZIAUMRRL-INIZCTEOSA-N 2 2 327.432 1.338 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000548677634 449076922 /nfs/dbraw/zinc/07/69/22/449076922.db2.gz DETCZNZIAUMRRL-INIZCTEOSA-N 2 2 327.432 1.338 20 0 EDADLP C[C@@H]1CCC[C@@](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)([NH+](C)C)C1 ZINC000522315418 449077044 /nfs/dbraw/zinc/07/70/44/449077044.db2.gz BSHPZEJFSVINMC-RDTXWAMCSA-N 2 2 342.447 1.903 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000522322879 449077469 /nfs/dbraw/zinc/07/74/69/449077469.db2.gz OUGIOAGQXOXTFC-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000522322879 449077474 /nfs/dbraw/zinc/07/74/74/449077474.db2.gz OUGIOAGQXOXTFC-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000575134335 449044520 /nfs/dbraw/zinc/04/45/20/449044520.db2.gz ZNOCJIUYGCEUJP-INIZCTEOSA-N 2 2 349.866 2.340 20 0 EDADLP Cc1cccn2cc(CNC(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)[nH+]c12 ZINC000592960359 449085152 /nfs/dbraw/zinc/08/51/52/449085152.db2.gz YULFUIWKCRLSHW-CYBMUJFWSA-N 2 2 338.415 1.605 20 0 EDADLP COc1ccccc1/C=C/C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530242763 449091747 /nfs/dbraw/zinc/09/17/47/449091747.db2.gz OYCPZIZDLOOUTH-GQCTYLIASA-N 2 2 344.459 1.351 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3CCSCC3)C2)CC1 ZINC000604198170 449189926 /nfs/dbraw/zinc/18/99/26/449189926.db2.gz ZHZTXGVJGONDMK-HNNXBMFYSA-N 2 2 340.537 1.597 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3CCSCC3)C2)CC1 ZINC000604198170 449189932 /nfs/dbraw/zinc/18/99/32/449189932.db2.gz ZHZTXGVJGONDMK-HNNXBMFYSA-N 2 2 340.537 1.597 20 0 EDADLP c1nc2cc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)ccc2[nH]1 ZINC000604418153 449228200 /nfs/dbraw/zinc/22/82/00/449228200.db2.gz JHSSESLMOSUUID-MRXNPFEDSA-N 2 2 329.448 1.059 20 0 EDADLP c1nc2ccc(C[NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)cc2[nH]1 ZINC000604418153 449228202 /nfs/dbraw/zinc/22/82/02/449228202.db2.gz JHSSESLMOSUUID-MRXNPFEDSA-N 2 2 329.448 1.059 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C[C@@H]1C ZINC000602132320 449370494 /nfs/dbraw/zinc/37/04/94/449370494.db2.gz XVAXZFIHULEYAW-HOCLYGCPSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C[C@@H]1C ZINC000602132320 449370498 /nfs/dbraw/zinc/37/04/98/449370498.db2.gz XVAXZFIHULEYAW-HOCLYGCPSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C[C@@H]1C ZINC000602132320 449370501 /nfs/dbraw/zinc/37/05/01/449370501.db2.gz XVAXZFIHULEYAW-HOCLYGCPSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)C[C@@H]1C ZINC000602132320 449370505 /nfs/dbraw/zinc/37/05/05/449370505.db2.gz XVAXZFIHULEYAW-HOCLYGCPSA-N 2 2 337.464 1.099 20 0 EDADLP O=S1(=O)c2cccc3cccc(c23)N1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613995157 449409717 /nfs/dbraw/zinc/40/97/17/449409717.db2.gz FZPKKVAOBODGBP-GJZGRUSLSA-N 2 2 343.452 1.500 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000600500615 449414204 /nfs/dbraw/zinc/41/42/04/449414204.db2.gz PMQVODMPHYWUSE-MRXNPFEDSA-N 2 2 333.480 1.422 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C(C)(C)CO)CC1 ZINC000605900317 449422937 /nfs/dbraw/zinc/42/29/37/449422937.db2.gz ADQMHUFXPZVTRK-MRXNPFEDSA-N 2 2 333.476 1.595 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)(C)CO)CC1 ZINC000605900317 449422941 /nfs/dbraw/zinc/42/29/41/449422941.db2.gz ADQMHUFXPZVTRK-MRXNPFEDSA-N 2 2 333.476 1.595 20 0 EDADLP Cc1cc(C)n([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602195014 449424829 /nfs/dbraw/zinc/42/48/29/449424829.db2.gz JROYKUJTZUKWOF-JKSUJKDBSA-N 2 2 333.480 1.346 20 0 EDADLP Cc1cc(C)n([C@@H](C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602195014 449424830 /nfs/dbraw/zinc/42/48/30/449424830.db2.gz JROYKUJTZUKWOF-JKSUJKDBSA-N 2 2 333.480 1.346 20 0 EDADLP COC(=O)Cc1cc[nH+]c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000596295287 449460828 /nfs/dbraw/zinc/46/08/28/449460828.db2.gz SQKRBYRGTHFJMZ-INIZCTEOSA-N 2 2 333.432 1.488 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCC(=O)c2cccs2)C1 ZINC000600643640 449468971 /nfs/dbraw/zinc/46/89/71/449468971.db2.gz JSTHXNQAZVAACG-AWEZNQCLSA-N 2 2 346.456 1.889 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCC(=O)c2cccs2)C1 ZINC000600643640 449468978 /nfs/dbraw/zinc/46/89/78/449468978.db2.gz JSTHXNQAZVAACG-AWEZNQCLSA-N 2 2 346.456 1.889 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000600712136 449510953 /nfs/dbraw/zinc/51/09/53/449510953.db2.gz WQDOYGSBMXNUEW-WWGRRREGSA-N 2 2 333.432 1.920 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596655762 449589685 /nfs/dbraw/zinc/58/96/85/449589685.db2.gz YVLWEZJLGDUDFP-NSHDSACASA-N 2 2 346.387 1.044 20 0 EDADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614445930 449613349 /nfs/dbraw/zinc/61/33/49/449613349.db2.gz FBJUFHWMFUHYLK-CABCVRRESA-N 2 2 332.448 1.228 20 0 EDADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614445930 449613357 /nfs/dbraw/zinc/61/33/57/449613357.db2.gz FBJUFHWMFUHYLK-CABCVRRESA-N 2 2 332.448 1.228 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4c(cn3)OCCO4)C2)CC1 ZINC000602482952 449625934 /nfs/dbraw/zinc/62/59/34/449625934.db2.gz JTMRPIIMONFZQZ-QGZVFWFLSA-N 2 2 346.475 1.453 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4c(cn3)OCCO4)C2)CC1 ZINC000602482952 449625941 /nfs/dbraw/zinc/62/59/41/449625941.db2.gz JTMRPIIMONFZQZ-QGZVFWFLSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C2CCCCC2)n1 ZINC000594738629 449658159 /nfs/dbraw/zinc/65/81/59/449658159.db2.gz IRBPISWGXHRIOJ-JKSUJKDBSA-N 2 2 331.464 1.212 20 0 EDADLP Cn1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C2CCCCC2)n1 ZINC000594738629 449658166 /nfs/dbraw/zinc/65/81/66/449658166.db2.gz IRBPISWGXHRIOJ-JKSUJKDBSA-N 2 2 331.464 1.212 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)on1 ZINC000602567045 449678069 /nfs/dbraw/zinc/67/80/69/449678069.db2.gz HASFAMROKLBODH-HOTGVXAUSA-N 2 2 337.420 1.319 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)cn1 ZINC000601002356 449647010 /nfs/dbraw/zinc/64/70/10/449647010.db2.gz RPRQPPMMXMTMMD-SFHVURJKSA-N 2 2 347.507 1.812 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)cn1 ZINC000601002356 449647015 /nfs/dbraw/zinc/64/70/15/449647015.db2.gz RPRQPPMMXMTMMD-SFHVURJKSA-N 2 2 347.507 1.812 20 0 EDADLP CCCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000601002356 449647022 /nfs/dbraw/zinc/64/70/22/449647022.db2.gz RPRQPPMMXMTMMD-SFHVURJKSA-N 2 2 347.507 1.812 20 0 EDADLP CCCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000601002356 449647027 /nfs/dbraw/zinc/64/70/27/449647027.db2.gz RPRQPPMMXMTMMD-SFHVURJKSA-N 2 2 347.507 1.812 20 0 EDADLP COC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1Cl ZINC000597050337 449785522 /nfs/dbraw/zinc/78/55/22/449785522.db2.gz VWJNDWDCACRKNS-ZDUSSCGKSA-N 2 2 326.824 1.673 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)CO1 ZINC000617720312 449769428 /nfs/dbraw/zinc/76/94/28/449769428.db2.gz AWGYBBXNVXGZQM-ZIAGYGMSSA-N 2 2 329.404 1.106 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)CO1 ZINC000617720312 449769435 /nfs/dbraw/zinc/76/94/35/449769435.db2.gz AWGYBBXNVXGZQM-ZIAGYGMSSA-N 2 2 329.404 1.106 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(C(=O)OC)co2)C1 ZINC000602785900 449808414 /nfs/dbraw/zinc/80/84/14/449808414.db2.gz WSRRMWQGSTWWJU-ZIAGYGMSSA-N 2 2 339.436 1.955 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(C(=O)OC)co2)C1 ZINC000602785900 449808415 /nfs/dbraw/zinc/80/84/15/449808415.db2.gz WSRRMWQGSTWWJU-ZIAGYGMSSA-N 2 2 339.436 1.955 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC000617763628 449821812 /nfs/dbraw/zinc/82/18/12/449821812.db2.gz WBAQXYRQYDDRAQ-UHFFFAOYSA-N 2 2 336.461 1.203 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2cc[nH]c(=O)c2s1 ZINC000617763628 449821816 /nfs/dbraw/zinc/82/18/16/449821816.db2.gz WBAQXYRQYDDRAQ-UHFFFAOYSA-N 2 2 336.461 1.203 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc2c(F)cccc2c1 ZINC000617764047 449823737 /nfs/dbraw/zinc/82/37/37/449823737.db2.gz HAQMGETUQBDCKA-UHFFFAOYSA-N 2 2 332.423 1.987 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc2c(F)cccc2c1 ZINC000617764047 449823745 /nfs/dbraw/zinc/82/37/45/449823745.db2.gz HAQMGETUQBDCKA-UHFFFAOYSA-N 2 2 332.423 1.987 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000601327407 449835758 /nfs/dbraw/zinc/83/57/58/449835758.db2.gz VNUWVJQJQUEOKP-VXGBXAGGSA-N 2 2 339.461 1.698 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC000601327407 449835765 /nfs/dbraw/zinc/83/57/65/449835765.db2.gz VNUWVJQJQUEOKP-VXGBXAGGSA-N 2 2 339.461 1.698 20 0 EDADLP COC(=O)COc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000597249792 449896365 /nfs/dbraw/zinc/89/63/65/449896365.db2.gz LRWJHRIHXYUIGB-UHFFFAOYSA-N 2 2 344.415 1.294 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)OC ZINC000609258431 449985360 /nfs/dbraw/zinc/98/53/60/449985360.db2.gz VJCBJGJVPPLQPS-SQWLQELKSA-N 2 2 336.436 1.224 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)C(=O)OC ZINC000609258431 449985364 /nfs/dbraw/zinc/98/53/64/449985364.db2.gz VJCBJGJVPPLQPS-SQWLQELKSA-N 2 2 336.436 1.224 20 0 EDADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000595329620 450044720 /nfs/dbraw/zinc/04/47/20/450044720.db2.gz WAPKQGXSKFUBBU-HOTGVXAUSA-N 2 2 337.464 1.101 20 0 EDADLP COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1=O ZINC000595329620 450044722 /nfs/dbraw/zinc/04/47/22/450044722.db2.gz WAPKQGXSKFUBBU-HOTGVXAUSA-N 2 2 337.464 1.101 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)C2)CC1 ZINC000610026214 450130287 /nfs/dbraw/zinc/13/02/87/450130287.db2.gz GLCQDATUEREFSM-MRXNPFEDSA-N 2 2 342.447 1.578 20 0 EDADLP CCCCNC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000613359169 450148708 /nfs/dbraw/zinc/14/87/08/450148708.db2.gz LVXNLBVXJCPGNF-SFHVURJKSA-N 2 2 333.476 1.763 20 0 EDADLP CC[C@H](C)NC(=O)c1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000613367064 450151159 /nfs/dbraw/zinc/15/11/59/450151159.db2.gz ZNVMSIRXTRVZNZ-MAUKXSAKSA-N 2 2 333.476 1.761 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(=O)OC)n3)C2)CC1 ZINC000618527415 450231874 /nfs/dbraw/zinc/23/18/74/450231874.db2.gz SZVNZDJZLMSRFL-MRXNPFEDSA-N 2 2 332.448 1.080 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(=O)OC)n3)C2)CC1 ZINC000618527415 450231878 /nfs/dbraw/zinc/23/18/78/450231878.db2.gz SZVNZDJZLMSRFL-MRXNPFEDSA-N 2 2 332.448 1.080 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000625294255 450278502 /nfs/dbraw/zinc/27/85/02/450278502.db2.gz XIZBPRSIJHIVJA-PBWTXFEYSA-N 2 2 345.487 1.557 20 0 EDADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000625294255 450278507 /nfs/dbraw/zinc/27/85/07/450278507.db2.gz XIZBPRSIJHIVJA-PBWTXFEYSA-N 2 2 345.487 1.557 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000625333809 450298160 /nfs/dbraw/zinc/29/81/60/450298160.db2.gz ODGQIPXCUUEVMB-NZSAHSFTSA-N 2 2 344.503 1.084 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000625333809 450298166 /nfs/dbraw/zinc/29/81/66/450298166.db2.gz ODGQIPXCUUEVMB-NZSAHSFTSA-N 2 2 344.503 1.084 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CCN(c3cc(-n4cc[nH+]c4)ncn3)C2)CC1 ZINC000610726260 450312651 /nfs/dbraw/zinc/31/26/51/450312651.db2.gz IPLQBFOKGVDNAN-MRXNPFEDSA-N 2 2 341.463 1.267 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000616123480 450328154 /nfs/dbraw/zinc/32/81/54/450328154.db2.gz GZZFDOFZODAWFT-HUUCEWRRSA-N 2 2 333.480 1.056 20 0 EDADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265920 450470556 /nfs/dbraw/zinc/47/05/56/450470556.db2.gz NSXLRVIHEHFTDI-WMZOPIPTSA-N 2 2 340.427 1.215 20 0 EDADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623265920 450470559 /nfs/dbraw/zinc/47/05/59/450470559.db2.gz NSXLRVIHEHFTDI-WMZOPIPTSA-N 2 2 340.427 1.215 20 0 EDADLP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623272302 450473071 /nfs/dbraw/zinc/47/30/71/450473071.db2.gz SQOCYPNDNSYVMR-MRXNPFEDSA-N 2 2 342.443 1.958 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302620 450489187 /nfs/dbraw/zinc/48/91/87/450489187.db2.gz KUABVRPMCWAVET-MRXNPFEDSA-N 2 2 335.411 1.802 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000623465162 450525572 /nfs/dbraw/zinc/52/55/72/450525572.db2.gz CTYKQKCMNHWFTA-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000623465162 450525574 /nfs/dbraw/zinc/52/55/74/450525574.db2.gz CTYKQKCMNHWFTA-INIZCTEOSA-N 2 2 326.485 1.128 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623465897 450526145 /nfs/dbraw/zinc/52/61/45/450526145.db2.gz IKALOKRUZMNVIH-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623465897 450526148 /nfs/dbraw/zinc/52/61/48/450526148.db2.gz IKALOKRUZMNVIH-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623465897 450526150 /nfs/dbraw/zinc/52/61/50/450526150.db2.gz IKALOKRUZMNVIH-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623465897 450526153 /nfs/dbraw/zinc/52/61/53/450526153.db2.gz IKALOKRUZMNVIH-HZPDHXFCSA-N 2 2 326.485 1.271 20 0 EDADLP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620723283 450532531 /nfs/dbraw/zinc/53/25/31/450532531.db2.gz XROIFKNAABHTLQ-QGZVFWFLSA-N 2 2 330.476 1.013 20 0 EDADLP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000620723283 450532533 /nfs/dbraw/zinc/53/25/33/450532533.db2.gz XROIFKNAABHTLQ-QGZVFWFLSA-N 2 2 330.476 1.013 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)COc3ccccc3O2)CC1 ZINC000625993255 450550296 /nfs/dbraw/zinc/55/02/96/450550296.db2.gz OPWFXSCMRUXRMS-LJQANCHMSA-N 2 2 347.459 1.359 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000623620924 450553459 /nfs/dbraw/zinc/55/34/59/450553459.db2.gz HNRGGTBNINKJDX-OWCLPIDISA-N 2 2 348.491 1.758 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000623620924 450553460 /nfs/dbraw/zinc/55/34/60/450553460.db2.gz HNRGGTBNINKJDX-OWCLPIDISA-N 2 2 348.491 1.758 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000626042833 450560143 /nfs/dbraw/zinc/56/01/43/450560143.db2.gz VNDHFZSJLGHDRN-LMMKCTJWSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000626042833 450560146 /nfs/dbraw/zinc/56/01/46/450560146.db2.gz VNDHFZSJLGHDRN-LMMKCTJWSA-N 2 2 345.487 1.595 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000623680804 450565077 /nfs/dbraw/zinc/56/50/77/450565077.db2.gz BQHVLDQEJWAUFG-DOTOQJQBSA-N 2 2 349.479 1.334 20 0 EDADLP COCCOc1cc2c(cc1C[NH2+]CC1([NH3+])CCOCC1)OCO2 ZINC000629388193 450642308 /nfs/dbraw/zinc/64/23/08/450642308.db2.gz ONONDNQOHNXJRI-UHFFFAOYSA-N 2 2 338.404 1.038 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631543978 450646271 /nfs/dbraw/zinc/64/62/71/450646271.db2.gz OMNHABLQRSPITF-SFHVURJKSA-N 2 2 343.471 1.584 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631543978 450646276 /nfs/dbraw/zinc/64/62/76/450646276.db2.gz OMNHABLQRSPITF-SFHVURJKSA-N 2 2 343.471 1.584 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000633036237 450631948 /nfs/dbraw/zinc/63/19/48/450631948.db2.gz ICJOPVNUVGCHTP-QWHCGFSZSA-N 2 2 340.383 1.761 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635138652 450684362 /nfs/dbraw/zinc/68/43/62/450684362.db2.gz ZQNLQIWPOOBGAJ-SJLPKXTDSA-N 2 2 331.460 1.870 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000635138652 450684366 /nfs/dbraw/zinc/68/43/66/450684366.db2.gz ZQNLQIWPOOBGAJ-SJLPKXTDSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000635138652 450684372 /nfs/dbraw/zinc/68/43/72/450684372.db2.gz ZQNLQIWPOOBGAJ-SJLPKXTDSA-N 2 2 331.460 1.870 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000635138652 450684376 /nfs/dbraw/zinc/68/43/76/450684376.db2.gz ZQNLQIWPOOBGAJ-SJLPKXTDSA-N 2 2 331.460 1.870 20 0 EDADLP CCOc1cncc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000621332687 450689240 /nfs/dbraw/zinc/68/92/40/450689240.db2.gz CSXRTMVQDIXXKK-QGZVFWFLSA-N 2 2 334.464 1.513 20 0 EDADLP CCOc1cncc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000621332687 450689247 /nfs/dbraw/zinc/68/92/47/450689247.db2.gz CSXRTMVQDIXXKK-QGZVFWFLSA-N 2 2 334.464 1.513 20 0 EDADLP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000624120835 450714946 /nfs/dbraw/zinc/71/49/46/450714946.db2.gz HYNHQXYQLYRUHK-GOSISDBHSA-N 3 2 338.540 1.105 20 0 EDADLP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000624120835 450714950 /nfs/dbraw/zinc/71/49/50/450714950.db2.gz HYNHQXYQLYRUHK-GOSISDBHSA-N 3 2 338.540 1.105 20 0 EDADLP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000624120835 450714956 /nfs/dbraw/zinc/71/49/56/450714956.db2.gz HYNHQXYQLYRUHK-GOSISDBHSA-N 3 2 338.540 1.105 20 0 EDADLP C[N@H+]1CCCC[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000624120835 450714964 /nfs/dbraw/zinc/71/49/64/450714964.db2.gz HYNHQXYQLYRUHK-GOSISDBHSA-N 3 2 338.540 1.105 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)s1 ZINC000631707079 450723260 /nfs/dbraw/zinc/72/32/60/450723260.db2.gz PRKNPEQNMMOVFR-CQSZACIVSA-N 2 2 338.521 1.899 20 0 EDADLP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)s1 ZINC000631707079 450723265 /nfs/dbraw/zinc/72/32/65/450723265.db2.gz PRKNPEQNMMOVFR-CQSZACIVSA-N 2 2 338.521 1.899 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000633189985 450730674 /nfs/dbraw/zinc/73/06/74/450730674.db2.gz HFHFRIZGCRAHLE-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629571515 450742141 /nfs/dbraw/zinc/74/21/41/450742141.db2.gz VNSZRSYIDUEGNE-VQIMIIECSA-N 3 2 332.492 1.653 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000629653064 450772457 /nfs/dbraw/zinc/77/24/57/450772457.db2.gz LXYFDULPTYPVEE-UHFFFAOYSA-N 2 2 342.321 1.872 20 0 EDADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000624214883 450751409 /nfs/dbraw/zinc/75/14/09/450751409.db2.gz INLVHFQKBHJEET-UHFFFAOYSA-N 2 2 343.431 1.360 20 0 EDADLP COc1ncc(Br)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629593745 450754107 /nfs/dbraw/zinc/75/41/07/450754107.db2.gz VOSSVKRPDXDGKA-CYBMUJFWSA-N 2 2 344.253 1.399 20 0 EDADLP C[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1n1cc[nH+]c1 ZINC000631787188 450776468 /nfs/dbraw/zinc/77/64/68/450776468.db2.gz BPZSBRCSVLARPV-GOEBONIOSA-N 2 2 330.436 1.365 20 0 EDADLP C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1n1cc[nH+]c1 ZINC000631787192 450776608 /nfs/dbraw/zinc/77/66/08/450776608.db2.gz BPZSBRCSVLARPV-ZBFHGGJFSA-N 2 2 330.436 1.365 20 0 EDADLP C[N@H+](CCOCC[NH3+])Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000629664930 450774815 /nfs/dbraw/zinc/77/48/15/450774815.db2.gz LUMFTCIQPZYTQB-UHFFFAOYSA-N 2 2 344.246 1.981 20 0 EDADLP C[N@@H+](CCOCC[NH3+])Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000629664930 450774817 /nfs/dbraw/zinc/77/48/17/450774817.db2.gz LUMFTCIQPZYTQB-UHFFFAOYSA-N 2 2 344.246 1.981 20 0 EDADLP C[NH+](C)Cc1ccc(-c2ccc(NCCOCCO)[nH+]c2)cc1F ZINC000629709039 450785068 /nfs/dbraw/zinc/78/50/68/450785068.db2.gz MMWREPTVJBSMID-UHFFFAOYSA-N 2 2 333.407 2.370 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000631840649 450808648 /nfs/dbraw/zinc/80/86/48/450808648.db2.gz DLJSSFUMQFNBCH-GHMZBOCLSA-N 2 2 341.839 1.822 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1Cl ZINC000631840649 450808650 /nfs/dbraw/zinc/80/86/50/450808650.db2.gz DLJSSFUMQFNBCH-GHMZBOCLSA-N 2 2 341.839 1.822 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H]1C[NH3+] ZINC000631841928 450811727 /nfs/dbraw/zinc/81/17/27/450811727.db2.gz RYGWQURYJKEMCN-CHWSQXEVSA-N 2 2 327.450 1.091 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C[C@H]1C[NH3+] ZINC000631841928 450811731 /nfs/dbraw/zinc/81/17/31/450811731.db2.gz RYGWQURYJKEMCN-CHWSQXEVSA-N 2 2 327.450 1.091 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1C[NH3+] ZINC000631841935 450812150 /nfs/dbraw/zinc/81/21/50/450812150.db2.gz RYZMUFIZNJZGTM-TZMCWYRMSA-N 2 2 330.432 1.044 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1C[NH3+] ZINC000631841935 450812155 /nfs/dbraw/zinc/81/21/55/450812155.db2.gz RYZMUFIZNJZGTM-TZMCWYRMSA-N 2 2 330.432 1.044 20 0 EDADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865066 450834151 /nfs/dbraw/zinc/83/41/51/450834151.db2.gz YLJYQPZZFYWIIL-ZDUSSCGKSA-N 2 2 337.489 1.068 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866369 450835509 /nfs/dbraw/zinc/83/55/09/450835509.db2.gz OUXOZVZDOKTAAL-UONOGXRCSA-N 2 2 337.439 1.438 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)CCC[NH+](C)C ZINC000631892957 450852925 /nfs/dbraw/zinc/85/29/25/450852925.db2.gz CHGMWMSQZXYGPH-UHFFFAOYSA-N 2 2 342.387 1.159 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000631897885 450857757 /nfs/dbraw/zinc/85/77/57/450857757.db2.gz SLTRZXFLKLXFRZ-HNNXBMFYSA-N 2 2 326.466 1.336 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@H]4CCC[C@]4([NH3+])C3)C2=O)c1 ZINC000621781612 450866407 /nfs/dbraw/zinc/86/64/07/450866407.db2.gz GVHVPNMZLRPHIU-FMEYXAORSA-N 2 2 345.443 1.622 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3C[C@H]4CCC[C@]4([NH3+])C3)C2=O)c1 ZINC000621781612 450866411 /nfs/dbraw/zinc/86/64/11/450866411.db2.gz GVHVPNMZLRPHIU-FMEYXAORSA-N 2 2 345.443 1.622 20 0 EDADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000629961751 450919000 /nfs/dbraw/zinc/91/90/00/450919000.db2.gz FVBXBBFMKBZQLY-APWZRJJASA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000629961751 450919006 /nfs/dbraw/zinc/91/90/06/450919006.db2.gz FVBXBBFMKBZQLY-APWZRJJASA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000629961751 450919009 /nfs/dbraw/zinc/91/90/09/450919009.db2.gz FVBXBBFMKBZQLY-APWZRJJASA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000629961751 450919014 /nfs/dbraw/zinc/91/90/14/450919014.db2.gz FVBXBBFMKBZQLY-APWZRJJASA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000631988429 450946632 /nfs/dbraw/zinc/94/66/32/450946632.db2.gz DLUDLHNOEJENQL-INIZCTEOSA-N 2 2 328.416 1.605 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000635457572 450956315 /nfs/dbraw/zinc/95/63/15/450956315.db2.gz LNLCHDKHMOWLQK-UHFFFAOYSA-N 3 2 347.507 1.681 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000626916078 451002560 /nfs/dbraw/zinc/00/25/60/451002560.db2.gz AXAGSFRJMSWKMY-IRXDYDNUSA-N 2 2 346.475 1.325 20 0 EDADLP CN(CCOCC[NH3+])C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000626931370 451014964 /nfs/dbraw/zinc/01/49/64/451014964.db2.gz DBLZBVMFRBGEIQ-UHFFFAOYSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635526798 451024270 /nfs/dbraw/zinc/02/42/70/451024270.db2.gz CFXYAXWFEXGHMM-GASCZTMLSA-N 2 2 327.432 1.881 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000626945710 451025907 /nfs/dbraw/zinc/02/59/07/451025907.db2.gz MBUOFWOVJATTMF-CHWSQXEVSA-N 2 2 347.385 1.832 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627042581 451098272 /nfs/dbraw/zinc/09/82/72/451098272.db2.gz FKINZKSBNSKDAT-JQWIXIFHSA-N 2 2 346.353 1.759 20 0 EDADLP CCc1c[nH]c(CC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[nH+]1 ZINC000635601662 451096584 /nfs/dbraw/zinc/09/65/84/451096584.db2.gz ANURBJLKZNIZLM-UHFFFAOYSA-N 2 2 326.444 1.730 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccccc2-c2cn[nH]c2)CC1 ZINC000635666005 451150914 /nfs/dbraw/zinc/15/09/14/451150914.db2.gz GZOYQRWLYRUIET-UHFFFAOYSA-N 2 2 341.459 1.833 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000625097774 451160782 /nfs/dbraw/zinc/16/07/82/451160782.db2.gz VREFBWMYDIUJRF-ROUUACIJSA-N 2 2 331.460 1.613 20 0 EDADLP C[NH2+]CCOCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000627173520 451163723 /nfs/dbraw/zinc/16/37/23/451163723.db2.gz ZVOHRCBXWXRZIU-UHFFFAOYSA-N 2 2 349.479 1.344 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000635680288 451165483 /nfs/dbraw/zinc/16/54/83/451165483.db2.gz HKSMVLDGYYUKAF-BZUAXINKSA-N 2 2 332.448 1.617 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000635680288 451165486 /nfs/dbraw/zinc/16/54/86/451165486.db2.gz HKSMVLDGYYUKAF-BZUAXINKSA-N 2 2 332.448 1.617 20 0 EDADLP Cc1cc(NCCNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000627179566 451168344 /nfs/dbraw/zinc/16/83/44/451168344.db2.gz WTULYWHCLYVXGV-HUUCEWRRSA-N 2 2 346.479 1.714 20 0 EDADLP C[C@H]1CC[C@@H](NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C[NH2+]1 ZINC000627195217 451180601 /nfs/dbraw/zinc/18/06/01/451180601.db2.gz AKSQTVFWZAGPTG-WDEREUQCSA-N 2 2 333.358 1.727 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000627248386 451207840 /nfs/dbraw/zinc/20/78/40/451207840.db2.gz DFVYAPXMGWIUPI-GOEBONIOSA-N 2 2 332.448 1.445 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000634193103 451228231 /nfs/dbraw/zinc/22/82/31/451228231.db2.gz BOSKXDQCNJIICW-UONOGXRCSA-N 2 2 345.447 1.064 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CC2)cc[nH+]1 ZINC000635798616 451248339 /nfs/dbraw/zinc/24/83/39/451248339.db2.gz QUQFSLABWSXICO-MRXNPFEDSA-N 2 2 342.447 1.918 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CCO1 ZINC000638089912 451255730 /nfs/dbraw/zinc/25/57/30/451255730.db2.gz FEOVDOUYBLWUKC-BXUZGUMPSA-N 2 2 345.365 1.542 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CCO1 ZINC000638089912 451255735 /nfs/dbraw/zinc/25/57/35/451255735.db2.gz FEOVDOUYBLWUKC-BXUZGUMPSA-N 2 2 345.365 1.542 20 0 EDADLP c1nc(N2CC[NH+](CCC[C@H]3CCO3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000638099442 451264509 /nfs/dbraw/zinc/26/45/09/451264509.db2.gz IJLNGWXYADICIR-INIZCTEOSA-N 2 2 347.463 1.004 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638112919 451281450 /nfs/dbraw/zinc/28/14/50/451281450.db2.gz XBPUQDDCZPONQN-AWEZNQCLSA-N 2 2 325.416 1.282 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638112919 451281458 /nfs/dbraw/zinc/28/14/58/451281458.db2.gz XBPUQDDCZPONQN-AWEZNQCLSA-N 2 2 325.416 1.282 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3cnc(C)o3)CC2)CC1 ZINC000640416530 451303096 /nfs/dbraw/zinc/30/30/96/451303096.db2.gz DZCYDKKYTYNPBE-UHFFFAOYSA-N 2 2 334.464 1.544 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3cnc(C)o3)CC2)CC1 ZINC000640416530 451303101 /nfs/dbraw/zinc/30/31/01/451303101.db2.gz DZCYDKKYTYNPBE-UHFFFAOYSA-N 2 2 334.464 1.544 20 0 EDADLP C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1Cc1ccccc1 ZINC000638135961 451308761 /nfs/dbraw/zinc/30/87/61/451308761.db2.gz FJHLRFMKEROUNY-AWEZNQCLSA-N 2 2 326.448 1.398 20 0 EDADLP C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1Cc1ccccc1 ZINC000638135961 451308764 /nfs/dbraw/zinc/30/87/64/451308764.db2.gz FJHLRFMKEROUNY-AWEZNQCLSA-N 2 2 326.448 1.398 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)[nH+]1 ZINC000638215152 451359020 /nfs/dbraw/zinc/35/90/20/451359020.db2.gz MFYYDRPPYGECET-HNNXBMFYSA-N 2 2 328.416 1.696 20 0 EDADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000635914990 451359904 /nfs/dbraw/zinc/35/99/04/451359904.db2.gz RQIOKQLPXHWTEQ-CHWSQXEVSA-N 2 2 348.369 1.340 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000638253395 451383581 /nfs/dbraw/zinc/38/35/81/451383581.db2.gz MYQCAASOLQWVIP-GXTWGEPZSA-N 2 2 333.329 1.865 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000636607941 451347242 /nfs/dbraw/zinc/34/72/42/451347242.db2.gz ACTWIRMXWUPNSO-MRXNPFEDSA-N 2 2 340.431 1.167 20 0 EDADLP C[NH+](C)Cc1ccnc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000640560812 451406291 /nfs/dbraw/zinc/40/62/91/451406291.db2.gz RBDILKDBNYIZIQ-INIZCTEOSA-N 2 2 347.463 1.472 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC4(C3)CCCO4)CC2)CC1 ZINC000636680891 451409986 /nfs/dbraw/zinc/40/99/86/451409986.db2.gz QJYSPGIPFBJHDD-UHFFFAOYSA-N 2 2 336.480 1.119 20 0 EDADLP Cc1cc(NCCNC(=O)C[C@@H](C)n2cc[nH+]c2)nc(C(C)C)[nH+]1 ZINC000628825543 451433530 /nfs/dbraw/zinc/43/35/30/451433530.db2.gz XJKUXGLMFSJOAG-CQSZACIVSA-N 2 2 330.436 2.284 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000638383829 451476851 /nfs/dbraw/zinc/47/68/51/451476851.db2.gz KAHVEFGKKZFQKT-UHFFFAOYSA-N 3 2 346.519 1.871 20 0 EDADLP CCc1c[nH]c(CC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[nH+]1 ZINC000636077236 451493279 /nfs/dbraw/zinc/49/32/79/451493279.db2.gz XEJDRNGBOJTLHW-WBVHZDCISA-N 2 2 326.444 1.976 20 0 EDADLP CCc1c[nH]c(CC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[nH+]1 ZINC000636077236 451493283 /nfs/dbraw/zinc/49/32/83/451493283.db2.gz XEJDRNGBOJTLHW-WBVHZDCISA-N 2 2 326.444 1.976 20 0 EDADLP COCC1(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000638454771 451524242 /nfs/dbraw/zinc/52/42/42/451524242.db2.gz OLTUOMHKGOCEGU-UHFFFAOYSA-N 2 2 346.475 1.527 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636171546 451562373 /nfs/dbraw/zinc/56/23/73/451562373.db2.gz LNARBCCHVRGNLR-UHFFFAOYSA-N 3 2 345.447 1.191 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000636171546 451562379 /nfs/dbraw/zinc/56/23/79/451562379.db2.gz LNARBCCHVRGNLR-UHFFFAOYSA-N 3 2 345.447 1.191 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-n2ccnc2)ccc1O ZINC000636171546 451562384 /nfs/dbraw/zinc/56/23/84/451562384.db2.gz LNARBCCHVRGNLR-UHFFFAOYSA-N 2 2 345.447 1.191 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-n2ccnc2)ccc1O ZINC000636171546 451562391 /nfs/dbraw/zinc/56/23/91/451562391.db2.gz LNARBCCHVRGNLR-UHFFFAOYSA-N 2 2 345.447 1.191 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000631064811 451564498 /nfs/dbraw/zinc/56/44/98/451564498.db2.gz NZNCLWFNGNFHSU-SFHVURJKSA-N 2 2 345.487 1.724 20 0 EDADLP Cc1cc(NCCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638583466 451588932 /nfs/dbraw/zinc/58/89/32/451588932.db2.gz KOYJFSOITJUIOL-KDOFPFPSSA-N 2 2 333.480 2.344 20 0 EDADLP CCOCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCc2ccccc21 ZINC000638631529 451620569 /nfs/dbraw/zinc/62/05/69/451620569.db2.gz VVOCYQMOFAJTHO-ROUUACIJSA-N 2 2 333.476 1.818 20 0 EDADLP Fc1ccc2oc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)nc2c1 ZINC000634962520 451625893 /nfs/dbraw/zinc/62/58/93/451625893.db2.gz VNHYGPNHGXLQKI-HNNXBMFYSA-N 2 2 348.422 1.463 20 0 EDADLP COc1c(C)c[nH+]c(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1C ZINC000640954416 451703400 /nfs/dbraw/zinc/70/34/00/451703400.db2.gz FYJDDVGKRKYQKD-UHFFFAOYSA-N 3 2 344.463 1.312 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)[C@@H]3CCCCO3)C2)CC1 ZINC000631259843 451667331 /nfs/dbraw/zinc/66/73/31/451667331.db2.gz ZLMXCYQYUCAGSK-RDJZCZTQSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)[C@@H]3CCCCO3)C2)CC1 ZINC000631259843 451667335 /nfs/dbraw/zinc/66/73/35/451667335.db2.gz ZLMXCYQYUCAGSK-RDJZCZTQSA-N 2 2 337.508 1.866 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636297010 451667441 /nfs/dbraw/zinc/66/74/41/451667441.db2.gz OGYANTJRWAJINM-UHFFFAOYSA-N 2 2 327.432 1.445 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ncc4ccccn43)C2)CC1 ZINC000631258890 451667816 /nfs/dbraw/zinc/66/78/16/451667816.db2.gz DTKXXSSQJPRWEV-CQSZACIVSA-N 2 2 327.432 1.233 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ncc4ccccn43)C2)CC1 ZINC000631258890 451667819 /nfs/dbraw/zinc/66/78/19/451667819.db2.gz DTKXXSSQJPRWEV-CQSZACIVSA-N 2 2 327.432 1.233 20 0 EDADLP COCC[N@H+](C)Cc1cn(Cc2c[nH+]cn2Cc2ccccc2)nn1 ZINC000641039246 451738105 /nfs/dbraw/zinc/73/81/05/451738105.db2.gz YTSRLLDQNQCDFD-UHFFFAOYSA-N 2 2 340.431 1.649 20 0 EDADLP COCC[N@@H+](C)Cc1cn(Cc2c[nH+]cn2Cc2ccccc2)nn1 ZINC000641039246 451738106 /nfs/dbraw/zinc/73/81/06/451738106.db2.gz YTSRLLDQNQCDFD-UHFFFAOYSA-N 2 2 340.431 1.649 20 0 EDADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)c1ccco1 ZINC000637139024 451738831 /nfs/dbraw/zinc/73/88/31/451738831.db2.gz AVFGLFMXYMYKOJ-KKUMJFAQSA-N 2 2 338.452 1.339 20 0 EDADLP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)c1ccco1 ZINC000637139024 451738834 /nfs/dbraw/zinc/73/88/34/451738834.db2.gz AVFGLFMXYMYKOJ-KKUMJFAQSA-N 2 2 338.452 1.339 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000638941777 451740957 /nfs/dbraw/zinc/74/09/57/451740957.db2.gz VJKVEXBFIBEEKG-IYBDPMFKSA-N 2 2 345.443 1.025 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000638941777 451740960 /nfs/dbraw/zinc/74/09/60/451740960.db2.gz VJKVEXBFIBEEKG-IYBDPMFKSA-N 2 2 345.443 1.025 20 0 EDADLP COc1ncc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000638980111 451744819 /nfs/dbraw/zinc/74/48/19/451744819.db2.gz JZWGEPAOTHHUGK-LBPRGKRZSA-N 2 2 335.433 1.166 20 0 EDADLP Cn1nnc2ccc(C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)cc21 ZINC000638983741 451745601 /nfs/dbraw/zinc/74/56/01/451745601.db2.gz DMFKAGPUFJCLJU-UHFFFAOYSA-N 2 2 337.387 1.025 20 0 EDADLP Cc1cn2ccc(C(=O)Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)cc2n1 ZINC000638983601 451745995 /nfs/dbraw/zinc/74/59/95/451745995.db2.gz KLUIALXHUPOSOB-UHFFFAOYSA-N 2 2 336.399 1.700 20 0 EDADLP C[C@H]1CC[NH2+][C@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000638990985 451748985 /nfs/dbraw/zinc/74/89/85/451748985.db2.gz SBQJUJQHRMPSCJ-ZFWWWQNUSA-N 2 2 334.489 1.639 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639019079 451752678 /nfs/dbraw/zinc/75/26/78/451752678.db2.gz BZGPNRPSYNVQOP-AVGNSLFASA-N 2 2 330.354 1.977 20 0 EDADLP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000639071689 451761229 /nfs/dbraw/zinc/76/12/29/451761229.db2.gz OXIMVLHPIHRQQL-LBPRGKRZSA-N 2 2 326.466 1.038 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@@H]1O ZINC000639074391 451761700 /nfs/dbraw/zinc/76/17/00/451761700.db2.gz OITUZIBDICLNBJ-APWZRJJASA-N 2 2 334.460 1.600 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC[C@@H]1O ZINC000639074391 451761702 /nfs/dbraw/zinc/76/17/02/451761702.db2.gz OITUZIBDICLNBJ-APWZRJJASA-N 2 2 334.460 1.600 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000639078886 451763273 /nfs/dbraw/zinc/76/32/73/451763273.db2.gz ARNUZPHSOUETFL-YQQAZPJKSA-N 2 2 346.454 1.807 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000637263141 451773399 /nfs/dbraw/zinc/77/33/99/451773399.db2.gz FHNPQKYRHHKVDJ-DLBZAZTESA-N 3 2 341.544 1.240 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)CC[N@H+]1C ZINC000637263141 451773402 /nfs/dbraw/zinc/77/34/02/451773402.db2.gz FHNPQKYRHHKVDJ-DLBZAZTESA-N 3 2 341.544 1.240 20 0 EDADLP CC(C)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000637263141 451773408 /nfs/dbraw/zinc/77/34/08/451773408.db2.gz FHNPQKYRHHKVDJ-DLBZAZTESA-N 3 2 341.544 1.240 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000641215651 451785119 /nfs/dbraw/zinc/78/51/19/451785119.db2.gz CPWMXSZYGZRENI-UXLLHSPISA-N 3 2 337.512 1.066 20 0 EDADLP CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000641215651 451785122 /nfs/dbraw/zinc/78/51/22/451785122.db2.gz CPWMXSZYGZRENI-UXLLHSPISA-N 3 2 337.512 1.066 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651428304 451819392 /nfs/dbraw/zinc/81/93/92/451819392.db2.gz CSDJAXXLZACKBE-QGZVFWFLSA-N 2 2 348.491 1.721 20 0 EDADLP Cn1c2cc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)ccc2oc1=O ZINC000639334505 451833394 /nfs/dbraw/zinc/83/33/94/451833394.db2.gz FGBLKKGXFUXFEC-HNNXBMFYSA-N 2 2 333.432 1.674 20 0 EDADLP Cn1c2cc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)ccc2oc1=O ZINC000639334505 451833398 /nfs/dbraw/zinc/83/33/98/451833398.db2.gz FGBLKKGXFUXFEC-HNNXBMFYSA-N 2 2 333.432 1.674 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(=O)c1ccco1 ZINC000644515737 451835521 /nfs/dbraw/zinc/83/55/21/451835521.db2.gz YJRNUUNAGZVMAM-MRXNPFEDSA-N 2 2 331.416 1.092 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNC(=O)c1ccco1 ZINC000644515737 451835524 /nfs/dbraw/zinc/83/55/24/451835524.db2.gz YJRNUUNAGZVMAM-MRXNPFEDSA-N 2 2 331.416 1.092 20 0 EDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651478194 451852167 /nfs/dbraw/zinc/85/21/67/451852167.db2.gz WAUOAVWIGMDOKD-UHFFFAOYSA-N 2 2 330.432 1.945 20 0 EDADLP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000644547953 451855562 /nfs/dbraw/zinc/85/55/62/451855562.db2.gz IANCDKDUBMPNFO-QZTJIDSGSA-N 2 2 334.460 1.632 20 0 EDADLP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000644547953 451855566 /nfs/dbraw/zinc/85/55/66/451855566.db2.gz IANCDKDUBMPNFO-QZTJIDSGSA-N 2 2 334.460 1.632 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000639498615 451905050 /nfs/dbraw/zinc/90/50/50/451905050.db2.gz XWNUXVUNMKLMBK-SQNIBIBYSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000639498615 451905053 /nfs/dbraw/zinc/90/50/53/451905053.db2.gz XWNUXVUNMKLMBK-SQNIBIBYSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000644632256 451906664 /nfs/dbraw/zinc/90/66/64/451906664.db2.gz HTSUYNSPAFDDHC-AZUAARDMSA-N 3 2 349.519 1.570 20 0 EDADLP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000644632256 451906671 /nfs/dbraw/zinc/90/66/71/451906671.db2.gz HTSUYNSPAFDDHC-AZUAARDMSA-N 3 2 349.519 1.570 20 0 EDADLP C[C@H]1C[NH+](CCC[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CCCO1 ZINC000644632256 451906675 /nfs/dbraw/zinc/90/66/75/451906675.db2.gz HTSUYNSPAFDDHC-AZUAARDMSA-N 3 2 349.519 1.570 20 0 EDADLP C[C@H]1C[NH+](CCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCCO1 ZINC000644632256 451906681 /nfs/dbraw/zinc/90/66/81/451906681.db2.gz HTSUYNSPAFDDHC-AZUAARDMSA-N 3 2 349.519 1.570 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000649213809 451908907 /nfs/dbraw/zinc/90/89/07/451908907.db2.gz SCIJGNPGQVNXAK-AEFFLSMTSA-N 2 2 346.475 1.549 20 0 EDADLP O[C@]1(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639515802 451917971 /nfs/dbraw/zinc/91/79/71/451917971.db2.gz YHHUWSSAYNJTNX-CVEARBPZSA-N 2 2 344.377 1.623 20 0 EDADLP O[C@]1(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639515802 451917974 /nfs/dbraw/zinc/91/79/74/451917974.db2.gz YHHUWSSAYNJTNX-CVEARBPZSA-N 2 2 344.377 1.623 20 0 EDADLP O[C@]1(C[NH+]2CC[C@@](O)(C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639515802 451917982 /nfs/dbraw/zinc/91/79/82/451917982.db2.gz YHHUWSSAYNJTNX-CVEARBPZSA-N 2 2 344.377 1.623 20 0 EDADLP C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC000639540065 451933109 /nfs/dbraw/zinc/93/31/09/451933109.db2.gz FMZWWYWVJSBXIP-AWEZNQCLSA-N 2 2 329.404 1.570 20 0 EDADLP COCCC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]CC1 ZINC000649276974 451947093 /nfs/dbraw/zinc/94/70/93/451947093.db2.gz YSUNLCLZYMNIBY-UHFFFAOYSA-N 2 2 332.448 1.137 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000651649191 451990034 /nfs/dbraw/zinc/99/00/34/451990034.db2.gz XOOLFYJPYCQZAQ-IBGZPJMESA-N 2 2 327.472 1.914 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3c2CCC3)CC1 ZINC000651649191 451990039 /nfs/dbraw/zinc/99/00/39/451990039.db2.gz XOOLFYJPYCQZAQ-IBGZPJMESA-N 2 2 327.472 1.914 20 0 EDADLP CN1CC[NH+]([C@H](C(=O)N2CCC(C)([NH3+])CC2)c2ccccc2)CC1 ZINC000646993356 451992603 /nfs/dbraw/zinc/99/26/03/451992603.db2.gz SLDMICDZPCJAOP-KRWDZBQOSA-N 2 2 330.476 1.315 20 0 EDADLP Cc1cncc(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000644795711 451994259 /nfs/dbraw/zinc/99/42/59/451994259.db2.gz ANDVRFLYESCYMK-QGZVFWFLSA-N 2 2 330.476 1.607 20 0 EDADLP Cc1cncc(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000644795711 451994263 /nfs/dbraw/zinc/99/42/63/451994263.db2.gz ANDVRFLYESCYMK-QGZVFWFLSA-N 2 2 330.476 1.607 20 0 EDADLP COC[C@@]1(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCC[NH2+]1 ZINC000649317952 451995997 /nfs/dbraw/zinc/99/59/97/451995997.db2.gz HKBPOJWWMBMTTD-FZKQIMNGSA-N 2 2 334.464 1.380 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000649322364 452001541 /nfs/dbraw/zinc/00/15/41/452001541.db2.gz OWYFZAWHOPIJQP-ZSGPHXLJSA-N 2 2 329.444 1.366 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)c1 ZINC000649322337 452001711 /nfs/dbraw/zinc/00/17/11/452001711.db2.gz NWTXQSMMCWYPMJ-DOTOQJQBSA-N 2 2 347.459 1.136 20 0 EDADLP C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000639658026 452005036 /nfs/dbraw/zinc/00/50/36/452005036.db2.gz DXBOQVKHZXWEGJ-OAHLLOKOSA-N 2 2 343.431 1.960 20 0 EDADLP COC[C@]1(C(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)CCC[NH2+]1 ZINC000649331999 452013639 /nfs/dbraw/zinc/01/36/39/452013639.db2.gz NZLIQMHDHHCNQF-IBGZPJMESA-N 2 2 342.443 1.658 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649334091 452014750 /nfs/dbraw/zinc/01/47/50/452014750.db2.gz IAKCHHCYOCNDAH-KRWDZBQOSA-N 3 2 344.503 1.347 20 0 EDADLP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649334091 452014753 /nfs/dbraw/zinc/01/47/53/452014753.db2.gz IAKCHHCYOCNDAH-KRWDZBQOSA-N 3 2 344.503 1.347 20 0 EDADLP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C(F)(F)F ZINC000649366321 452044550 /nfs/dbraw/zinc/04/45/50/452044550.db2.gz WKGUBACVFAIEKY-STQMWFEESA-N 2 2 330.354 1.442 20 0 EDADLP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C(F)(F)F ZINC000649366321 452044556 /nfs/dbraw/zinc/04/45/56/452044556.db2.gz WKGUBACVFAIEKY-STQMWFEESA-N 2 2 330.354 1.442 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000647074088 452044612 /nfs/dbraw/zinc/04/46/12/452044612.db2.gz UPHBIOUGWFGENQ-NVXWUHKLSA-N 2 2 331.460 1.766 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000643200060 452066374 /nfs/dbraw/zinc/06/63/74/452066374.db2.gz RXKDKUWZWQVVGX-CQSZACIVSA-N 2 2 336.436 1.111 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000643200060 452066380 /nfs/dbraw/zinc/06/63/80/452066380.db2.gz RXKDKUWZWQVVGX-CQSZACIVSA-N 2 2 336.436 1.111 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000653664559 452067184 /nfs/dbraw/zinc/06/71/84/452067184.db2.gz GSUWNENBRUENTA-INIZCTEOSA-N 2 2 325.428 1.281 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000653664559 452067189 /nfs/dbraw/zinc/06/71/89/452067189.db2.gz GSUWNENBRUENTA-INIZCTEOSA-N 2 2 325.428 1.281 20 0 EDADLP [NH3+]CCOCCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000649411447 452074409 /nfs/dbraw/zinc/07/44/09/452074409.db2.gz YPOAOORJPNOATN-UHFFFAOYSA-N 2 2 331.382 1.798 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000649414944 452077701 /nfs/dbraw/zinc/07/77/01/452077701.db2.gz AQVIMBNFMXVFIF-SJLPKXTDSA-N 3 2 336.524 1.439 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000649414944 452077705 /nfs/dbraw/zinc/07/77/05/452077705.db2.gz AQVIMBNFMXVFIF-SJLPKXTDSA-N 3 2 336.524 1.439 20 0 EDADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(C)[nH+]1 ZINC000643231566 452084672 /nfs/dbraw/zinc/08/46/72/452084672.db2.gz BQDQZSIRDUDRPB-QGZVFWFLSA-N 3 2 345.491 1.666 20 0 EDADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(C)[nH+]1 ZINC000643231566 452084678 /nfs/dbraw/zinc/08/46/78/452084678.db2.gz BQDQZSIRDUDRPB-QGZVFWFLSA-N 3 2 345.491 1.666 20 0 EDADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(C)n1 ZINC000643231566 452084682 /nfs/dbraw/zinc/08/46/82/452084682.db2.gz BQDQZSIRDUDRPB-QGZVFWFLSA-N 2 2 345.491 1.666 20 0 EDADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(C)n1 ZINC000643231566 452084688 /nfs/dbraw/zinc/08/46/88/452084688.db2.gz BQDQZSIRDUDRPB-QGZVFWFLSA-N 2 2 345.491 1.666 20 0 EDADLP Cc1[nH+]c2c(c(=O)[nH]n2C)c(C)c1CCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647151937 452090909 /nfs/dbraw/zinc/09/09/09/452090909.db2.gz RZNKGVQDDLBXKU-LBPRGKRZSA-N 2 2 342.403 1.883 20 0 EDADLP C[N@H+](CC(=O)N1CCCC1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643249379 452094134 /nfs/dbraw/zinc/09/41/34/452094134.db2.gz GDNRAEABWVOZGB-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP C[N@@H+](CC(=O)N1CCCC1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643249379 452094137 /nfs/dbraw/zinc/09/41/37/452094137.db2.gz GDNRAEABWVOZGB-UHFFFAOYSA-N 2 2 331.460 1.573 20 0 EDADLP COC1(CO)CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000643252386 452097763 /nfs/dbraw/zinc/09/77/63/452097763.db2.gz UEGSCZOEPRLPLS-UHFFFAOYSA-N 2 2 334.460 1.492 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1CN1CC[NH+](C2CC2)CC1 ZINC000637894109 452144522 /nfs/dbraw/zinc/14/45/22/452144522.db2.gz OKEDAYOJPVGBHF-UHFFFAOYSA-N 2 2 345.487 1.678 20 0 EDADLP Cc1csc(CC2(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)n1 ZINC000639809477 452145790 /nfs/dbraw/zinc/14/57/90/452145790.db2.gz ITBIOJOZRMBNIW-HNNXBMFYSA-N 2 2 341.521 1.522 20 0 EDADLP Cc1csc(CC2(O)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)n1 ZINC000639809477 452145795 /nfs/dbraw/zinc/14/57/95/452145795.db2.gz ITBIOJOZRMBNIW-HNNXBMFYSA-N 2 2 341.521 1.522 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+]1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000649714260 452210104 /nfs/dbraw/zinc/21/01/04/452210104.db2.gz XQPCBZRLYWXCGW-UHFFFAOYSA-N 2 2 340.406 1.800 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+]1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000649714260 452210105 /nfs/dbraw/zinc/21/01/05/452210105.db2.gz XQPCBZRLYWXCGW-UHFFFAOYSA-N 2 2 340.406 1.800 20 0 EDADLP CC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC000649732151 452217917 /nfs/dbraw/zinc/21/79/17/452217917.db2.gz SVORUVDLLMVHIV-IAGOWNOFSA-N 2 2 346.475 1.620 20 0 EDADLP CC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC000649732151 452217922 /nfs/dbraw/zinc/21/79/22/452217922.db2.gz SVORUVDLLMVHIV-IAGOWNOFSA-N 2 2 346.475 1.620 20 0 EDADLP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000645225550 452220617 /nfs/dbraw/zinc/22/06/17/452220617.db2.gz ISUDFAFLVSWLES-HNNXBMFYSA-N 2 2 345.443 1.102 20 0 EDADLP c1cn(CCN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000649751261 452230494 /nfs/dbraw/zinc/23/04/94/452230494.db2.gz HOYIHCIBQAOTHN-RBUKOAKNSA-N 2 2 326.444 1.858 20 0 EDADLP c1cn(CCN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000649751261 452230499 /nfs/dbraw/zinc/23/04/99/452230499.db2.gz HOYIHCIBQAOTHN-RBUKOAKNSA-N 2 2 326.444 1.858 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc(C)[nH+]1 ZINC000643472136 452238176 /nfs/dbraw/zinc/23/81/76/452238176.db2.gz YIINBQBPJBDDDH-UHFFFAOYSA-N 2 2 344.459 1.307 20 0 EDADLP COc1cc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)ccn1 ZINC000641788379 452266635 /nfs/dbraw/zinc/26/66/35/452266635.db2.gz ZHHLODYPZVHXOO-AEFFLSMTSA-N 2 2 348.491 1.537 20 0 EDADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)ccc1S(C)(=O)=O ZINC000643501866 452270329 /nfs/dbraw/zinc/27/03/29/452270329.db2.gz RGJSHLVHAAVETB-TZMCWYRMSA-N 2 2 326.462 1.891 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000659428635 452272737 /nfs/dbraw/zinc/27/27/37/452272737.db2.gz DBHGLZOXMNXLPG-QZTJIDSGSA-N 2 2 348.491 1.733 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])[nH+]c12 ZINC000659463036 452317932 /nfs/dbraw/zinc/31/79/32/452317932.db2.gz BRRCIPKDONERTO-CJNGLKHVSA-N 2 2 329.448 1.954 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000638053417 452330795 /nfs/dbraw/zinc/33/07/95/452330795.db2.gz AJBGTGPLNMYOJF-SFHVURJKSA-N 2 2 333.476 1.899 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760743 452332887 /nfs/dbraw/zinc/33/28/87/452332887.db2.gz OKDVLGRTJYCHMJ-ULQDDVLXSA-N 3 2 341.544 1.383 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760743 452332894 /nfs/dbraw/zinc/33/28/94/452332894.db2.gz OKDVLGRTJYCHMJ-ULQDDVLXSA-N 3 2 341.544 1.383 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760743 452332901 /nfs/dbraw/zinc/33/29/01/452332901.db2.gz OKDVLGRTJYCHMJ-ULQDDVLXSA-N 3 2 341.544 1.383 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760743 452332908 /nfs/dbraw/zinc/33/29/08/452332908.db2.gz OKDVLGRTJYCHMJ-ULQDDVLXSA-N 3 2 341.544 1.383 20 0 EDADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000638053922 452334247 /nfs/dbraw/zinc/33/42/47/452334247.db2.gz CBGOYYQWLRQZKO-WMZOPIPTSA-N 2 2 328.416 1.315 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638055067 452337982 /nfs/dbraw/zinc/33/79/82/452337982.db2.gz RYHXGLLAOBZOBL-IBGZPJMESA-N 2 2 347.459 1.026 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000657578415 452345738 /nfs/dbraw/zinc/34/57/38/452345738.db2.gz KHDIXCKQHGPVBS-CQSZACIVSA-N 2 2 343.431 1.429 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn3cc(C)[nH+]c3c2)C1 ZINC000657578415 452345751 /nfs/dbraw/zinc/34/57/51/452345751.db2.gz KHDIXCKQHGPVBS-CQSZACIVSA-N 2 2 343.431 1.429 20 0 EDADLP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000638061033 452351800 /nfs/dbraw/zinc/35/18/00/452351800.db2.gz XGDPIRPWPGMXGD-IRXDYDNUSA-N 2 2 335.448 1.168 20 0 EDADLP C[NH+]1CCC2(CC1)CN(c1cc(N3CCCCC3)[nH+]cn1)CCO2 ZINC000645384951 452359603 /nfs/dbraw/zinc/35/96/03/452359603.db2.gz NPGZTJBIRTXXCR-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP C[NH+]1CCC2(CC1)CN(c1cc(N3CCCCC3)nc[nH+]1)CCO2 ZINC000645384951 452359610 /nfs/dbraw/zinc/35/96/10/452359610.db2.gz NPGZTJBIRTXXCR-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663631654 452372262 /nfs/dbraw/zinc/37/22/62/452372262.db2.gz ZYXAUGUQJQSNPH-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663631654 452372264 /nfs/dbraw/zinc/37/22/64/452372264.db2.gz ZYXAUGUQJQSNPH-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663631654 452372269 /nfs/dbraw/zinc/37/22/69/452372269.db2.gz ZYXAUGUQJQSNPH-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000663631654 452372272 /nfs/dbraw/zinc/37/22/72/452372272.db2.gz ZYXAUGUQJQSNPH-PMPSAXMXSA-N 2 2 326.485 1.127 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCCNc1cccc[nH+]1 ZINC000638071453 452379827 /nfs/dbraw/zinc/37/98/27/452379827.db2.gz DJNOEWJBXKMYBV-QGZVFWFLSA-N 2 2 341.459 1.459 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCCNc1cccc[nH+]1 ZINC000638071453 452379833 /nfs/dbraw/zinc/37/98/33/452379833.db2.gz DJNOEWJBXKMYBV-QGZVFWFLSA-N 2 2 341.459 1.459 20 0 EDADLP CC1(O)CCN(c2cc(N3CC[C@H]([NH+]4CC=CC4)C3)nc[nH+]2)CC1 ZINC000663665854 452404253 /nfs/dbraw/zinc/40/42/53/452404253.db2.gz OTRGGHGLVLBNIP-HNNXBMFYSA-N 2 2 329.448 1.278 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2[nH+]1 ZINC000657692677 452450480 /nfs/dbraw/zinc/45/04/80/452450480.db2.gz ZBLQSLGRUZZBRN-CABCVRRESA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2[nH+]1 ZINC000657692677 452450485 /nfs/dbraw/zinc/45/04/85/452450485.db2.gz ZBLQSLGRUZZBRN-CABCVRRESA-N 2 2 341.415 1.276 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2[nH+]1 ZINC000657711333 452461605 /nfs/dbraw/zinc/46/16/05/452461605.db2.gz FUMVRBPWYLRDQW-AWEZNQCLSA-N 2 2 329.404 1.134 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)C[NH+]1CCCC1 ZINC000663736987 452470889 /nfs/dbraw/zinc/47/08/89/452470889.db2.gz QGQDBSYYZPGOIV-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)C[NH+]1CCCC1 ZINC000663736987 452470893 /nfs/dbraw/zinc/47/08/93/452470893.db2.gz QGQDBSYYZPGOIV-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP c1nnc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n1-c1ccccc1 ZINC000655688188 452511411 /nfs/dbraw/zinc/51/14/11/452511411.db2.gz PEVCKHFJZVEZKZ-KRWDZBQOSA-N 2 2 327.432 1.610 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NCc1ccccc1 ZINC000655702187 452523949 /nfs/dbraw/zinc/52/39/49/452523949.db2.gz ZCARSJQKEJHRQE-CRAIPNDOSA-N 2 2 331.460 1.534 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cc2[nH+]1 ZINC000657778238 452523909 /nfs/dbraw/zinc/52/39/09/452523909.db2.gz LEYTVXGFLSSMQN-ZFWWWQNUSA-N 2 2 341.415 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc2[nH+]1 ZINC000657778238 452523920 /nfs/dbraw/zinc/52/39/20/452523920.db2.gz LEYTVXGFLSSMQN-ZFWWWQNUSA-N 2 2 341.415 1.134 20 0 EDADLP CCC[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1 ZINC000652358022 452538218 /nfs/dbraw/zinc/53/82/18/452538218.db2.gz YUMTYPJKTLDPFN-KZNAEPCWSA-N 2 2 333.476 1.940 20 0 EDADLP CCC[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1 ZINC000652358022 452538222 /nfs/dbraw/zinc/53/82/22/452538222.db2.gz YUMTYPJKTLDPFN-KZNAEPCWSA-N 2 2 333.476 1.940 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nnnn2-c2ccccc2)C1 ZINC000652361690 452542427 /nfs/dbraw/zinc/54/24/27/452542427.db2.gz MLMDKZCRTBYOGQ-OIISXLGYSA-N 2 2 342.447 1.523 20 0 EDADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nnnn2-c2ccccc2)C1 ZINC000652361690 452542432 /nfs/dbraw/zinc/54/24/32/452542432.db2.gz MLMDKZCRTBYOGQ-OIISXLGYSA-N 2 2 342.447 1.523 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCC3([NH+](C)C)CCC3)cc2[nH+]1 ZINC000657811071 452548079 /nfs/dbraw/zinc/54/80/79/452548079.db2.gz PPXWQLUOXDGYMK-UHFFFAOYSA-N 2 2 329.404 1.182 20 0 EDADLP CCc1cccc(CC)c1NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647834797 452568442 /nfs/dbraw/zinc/56/84/42/452568442.db2.gz WKTLVXJGXSYUIO-UHFFFAOYSA-N 2 2 332.492 1.587 20 0 EDADLP CCc1cccc(CC)c1NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647834797 452568449 /nfs/dbraw/zinc/56/84/49/452568449.db2.gz WKTLVXJGXSYUIO-UHFFFAOYSA-N 2 2 332.492 1.587 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663891524 452615695 /nfs/dbraw/zinc/61/56/95/452615695.db2.gz DITOHVOYYYIFSA-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663891524 452615706 /nfs/dbraw/zinc/61/57/06/452615706.db2.gz DITOHVOYYYIFSA-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647878100 452619046 /nfs/dbraw/zinc/61/90/46/452619046.db2.gz PMYMCXNLBOUPDS-OAHLLOKOSA-N 2 2 340.431 1.634 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647878100 452619055 /nfs/dbraw/zinc/61/90/55/452619055.db2.gz PMYMCXNLBOUPDS-OAHLLOKOSA-N 2 2 340.431 1.634 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647878100 452619065 /nfs/dbraw/zinc/61/90/65/452619065.db2.gz PMYMCXNLBOUPDS-OAHLLOKOSA-N 2 2 340.431 1.634 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000647878100 452619070 /nfs/dbraw/zinc/61/90/70/452619070.db2.gz PMYMCXNLBOUPDS-OAHLLOKOSA-N 2 2 340.431 1.634 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663893073 452620079 /nfs/dbraw/zinc/62/00/79/452620079.db2.gz IUMWBMOEHIMZSN-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000663893073 452620091 /nfs/dbraw/zinc/62/00/91/452620091.db2.gz IUMWBMOEHIMZSN-CVEARBPZSA-N 2 2 340.512 1.517 20 0 EDADLP CCOC1CCC([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CC1 ZINC000657969544 452647627 /nfs/dbraw/zinc/64/76/27/452647627.db2.gz CAYTUPNZZNCVND-GPANFISMSA-N 2 2 334.464 1.848 20 0 EDADLP Cn1cc(C[N@H+](CCC2CCCCC2)[C@@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000647916428 452653955 /nfs/dbraw/zinc/65/39/55/452653955.db2.gz KCCYTSSQRABFBA-QGZVFWFLSA-N 2 2 348.491 1.218 20 0 EDADLP Cn1cc(C[N@@H+](CCC2CCCCC2)[C@@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000647916428 452653962 /nfs/dbraw/zinc/65/39/62/452653962.db2.gz KCCYTSSQRABFBA-QGZVFWFLSA-N 2 2 348.491 1.218 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000647959902 452703917 /nfs/dbraw/zinc/70/39/17/452703917.db2.gz UJMZDEBOAMPXBF-GOSISDBHSA-N 2 2 339.524 1.658 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000647959902 452703929 /nfs/dbraw/zinc/70/39/29/452703929.db2.gz UJMZDEBOAMPXBF-GOSISDBHSA-N 2 2 339.524 1.658 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000647968970 452713268 /nfs/dbraw/zinc/71/32/68/452713268.db2.gz FBODUDJNVGWPQM-GJZGRUSLSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000647968970 452713274 /nfs/dbraw/zinc/71/32/74/452713274.db2.gz FBODUDJNVGWPQM-GJZGRUSLSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000647968970 452713281 /nfs/dbraw/zinc/71/32/81/452713281.db2.gz FBODUDJNVGWPQM-GJZGRUSLSA-N 2 2 342.867 1.732 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000647968970 452713284 /nfs/dbraw/zinc/71/32/84/452713284.db2.gz FBODUDJNVGWPQM-GJZGRUSLSA-N 2 2 342.867 1.732 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000659839627 452726718 /nfs/dbraw/zinc/72/67/18/452726718.db2.gz XXSJKVOOSHIIIE-DLBZAZTESA-N 2 2 344.521 1.386 20 0 EDADLP [NH3+]CC1(CCNC(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000652570060 452751109 /nfs/dbraw/zinc/75/11/09/452751109.db2.gz OGDJJBXIHJBEIB-UHFFFAOYSA-N 2 2 332.448 1.769 20 0 EDADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc3ccnn3c2)CC1 ZINC000648019679 452758463 /nfs/dbraw/zinc/75/84/63/452758463.db2.gz QIJQUCZNPSXUOE-IAGOWNOFSA-N 2 2 329.448 1.587 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655118 452763212 /nfs/dbraw/zinc/76/32/12/452763212.db2.gz LIUGSHJRNQRBJX-LVQVYYBASA-N 2 2 326.485 1.220 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655118 452763223 /nfs/dbraw/zinc/76/32/23/452763223.db2.gz LIUGSHJRNQRBJX-LVQVYYBASA-N 2 2 326.485 1.220 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655118 452763233 /nfs/dbraw/zinc/76/32/33/452763233.db2.gz LIUGSHJRNQRBJX-LVQVYYBASA-N 2 2 326.485 1.220 20 0 EDADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654655118 452763242 /nfs/dbraw/zinc/76/32/42/452763242.db2.gz LIUGSHJRNQRBJX-LVQVYYBASA-N 2 2 326.485 1.220 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)CCC[N@@H+]1C ZINC000648032871 452767959 /nfs/dbraw/zinc/76/79/59/452767959.db2.gz FBCQUZNFNHVDSD-RVKKMQEKSA-N 2 2 343.479 1.331 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)CCC[N@H+]1C ZINC000648032871 452767966 /nfs/dbraw/zinc/76/79/66/452767966.db2.gz FBCQUZNFNHVDSD-RVKKMQEKSA-N 2 2 343.479 1.331 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000662016078 452771358 /nfs/dbraw/zinc/77/13/58/452771358.db2.gz FOZMGRKRHYUTSO-HKUYNNGSSA-N 2 2 344.503 1.750 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000662016078 452771367 /nfs/dbraw/zinc/77/13/67/452771367.db2.gz FOZMGRKRHYUTSO-HKUYNNGSSA-N 2 2 344.503 1.750 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c[nH]ccc3=O)CC2)CC1 ZINC000654700043 452819750 /nfs/dbraw/zinc/81/97/50/452819750.db2.gz XYHZZANOYUVDQA-UHFFFAOYSA-N 2 2 332.448 1.510 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CCC(C)(C)[NH3+])[C@H]1CC12CC[NH2+]CC2 ZINC000648118359 452834976 /nfs/dbraw/zinc/83/49/76/452834976.db2.gz ORSDYRBJYDOQIV-AWEZNQCLSA-N 3 2 333.480 1.408 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000654731039 452848910 /nfs/dbraw/zinc/84/89/10/452848910.db2.gz AWSUJLZRLBBSKY-BZUAXINKSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000654731039 452848915 /nfs/dbraw/zinc/84/89/15/452848915.db2.gz AWSUJLZRLBBSKY-BZUAXINKSA-N 2 2 331.464 1.936 20 0 EDADLP CCc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000658332735 452850355 /nfs/dbraw/zinc/85/03/55/452850355.db2.gz GZOFUMANWWFIPO-HNNXBMFYSA-N 2 2 348.491 1.576 20 0 EDADLP CCc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000658332735 452850368 /nfs/dbraw/zinc/85/03/68/452850368.db2.gz GZOFUMANWWFIPO-HNNXBMFYSA-N 2 2 348.491 1.576 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]3C[NH3+])CC2)cs1 ZINC000648152943 452864900 /nfs/dbraw/zinc/86/49/00/452864900.db2.gz QSRLQNFOEDXDOS-GOEBONIOSA-N 2 2 336.505 1.861 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]3C[NH3+])CC2)cs1 ZINC000648152943 452864909 /nfs/dbraw/zinc/86/49/09/452864909.db2.gz QSRLQNFOEDXDOS-GOEBONIOSA-N 2 2 336.505 1.861 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000659978409 452886272 /nfs/dbraw/zinc/88/62/72/452886272.db2.gz FDVBSLJHYSBOKL-MOPGFXCFSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000659978409 452886276 /nfs/dbraw/zinc/88/62/76/452886276.db2.gz FDVBSLJHYSBOKL-MOPGFXCFSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000659978409 452886279 /nfs/dbraw/zinc/88/62/79/452886279.db2.gz FDVBSLJHYSBOKL-MOPGFXCFSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000659978409 452886283 /nfs/dbraw/zinc/88/62/83/452886283.db2.gz FDVBSLJHYSBOKL-MOPGFXCFSA-N 2 2 347.503 1.972 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000648175650 452887623 /nfs/dbraw/zinc/88/76/23/452887623.db2.gz JLBRCMIYNUPAQX-VJANTYMQSA-N 2 2 345.487 1.892 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000648175650 452887635 /nfs/dbraw/zinc/88/76/35/452887635.db2.gz JLBRCMIYNUPAQX-VJANTYMQSA-N 2 2 345.487 1.892 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659989145 452900748 /nfs/dbraw/zinc/90/07/48/452900748.db2.gz CWBFKWXEJHFTJU-OAHLLOKOSA-N 2 2 325.478 1.368 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659989145 452900758 /nfs/dbraw/zinc/90/07/58/452900758.db2.gz CWBFKWXEJHFTJU-OAHLLOKOSA-N 2 2 325.478 1.368 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659989145 452900763 /nfs/dbraw/zinc/90/07/63/452900763.db2.gz CWBFKWXEJHFTJU-OAHLLOKOSA-N 2 2 325.478 1.368 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659989145 452900768 /nfs/dbraw/zinc/90/07/68/452900768.db2.gz CWBFKWXEJHFTJU-OAHLLOKOSA-N 2 2 325.478 1.368 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3coc4c3C(=O)CCC4)C2)CC1 ZINC000648316108 452998409 /nfs/dbraw/zinc/99/84/09/452998409.db2.gz CZJVSBDZRMHLQK-CYBMUJFWSA-N 2 2 345.443 1.697 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3coc4c3C(=O)CCC4)C2)CC1 ZINC000648316108 452998417 /nfs/dbraw/zinc/99/84/17/452998417.db2.gz CZJVSBDZRMHLQK-CYBMUJFWSA-N 2 2 345.443 1.697 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000662279591 453004257 /nfs/dbraw/zinc/00/42/57/453004257.db2.gz AGJRTFNOKNKWAM-KBXCAEBGSA-N 2 2 340.427 1.973 20 0 EDADLP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000656294960 453026539 /nfs/dbraw/zinc/02/65/39/453026539.db2.gz DDFCDEFZOAZNJI-UHFFFAOYSA-N 2 2 349.479 1.031 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000666645493 453032060 /nfs/dbraw/zinc/03/20/60/453032060.db2.gz UDDJXEOVXVBSTK-RTBURBONSA-N 2 2 344.503 1.390 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000666645493 453032068 /nfs/dbraw/zinc/03/20/68/453032068.db2.gz UDDJXEOVXVBSTK-RTBURBONSA-N 2 2 344.503 1.390 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320173 453038618 /nfs/dbraw/zinc/03/86/18/453038618.db2.gz RTYQFBFGXVMSFM-GOSISDBHSA-N 2 2 333.476 1.654 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320173 453038624 /nfs/dbraw/zinc/03/86/24/453038624.db2.gz RTYQFBFGXVMSFM-GOSISDBHSA-N 2 2 333.476 1.654 20 0 EDADLP Cc1nn(C)c2ncc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc12 ZINC000662324372 453043153 /nfs/dbraw/zinc/04/31/53/453043153.db2.gz WMFIJOGVKPQQJT-INIZCTEOSA-N 2 2 331.464 1.819 20 0 EDADLP Cc1nn(C)c2ncc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc12 ZINC000662324372 453043164 /nfs/dbraw/zinc/04/31/64/453043164.db2.gz WMFIJOGVKPQQJT-INIZCTEOSA-N 2 2 331.464 1.819 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CCO1 ZINC000662326084 453043882 /nfs/dbraw/zinc/04/38/82/453043882.db2.gz NCMYNLITCXHQFR-QZTJIDSGSA-N 2 2 349.450 1.974 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CCO1 ZINC000662326084 453043883 /nfs/dbraw/zinc/04/38/83/453043883.db2.gz NCMYNLITCXHQFR-QZTJIDSGSA-N 2 2 349.450 1.974 20 0 EDADLP NC(=O)c1cccc2c1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC000662327656 453046787 /nfs/dbraw/zinc/04/67/87/453046787.db2.gz SOOHBPUOXXRHOJ-OALUTQOASA-N 2 2 339.439 1.075 20 0 EDADLP NC(=O)c1cccc2c1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC000662327656 453046796 /nfs/dbraw/zinc/04/67/96/453046796.db2.gz SOOHBPUOXXRHOJ-OALUTQOASA-N 2 2 339.439 1.075 20 0 EDADLP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000644121960 453061615 /nfs/dbraw/zinc/06/16/15/453061615.db2.gz JZQYTJFTBJFIFT-CVEARBPZSA-N 2 2 332.448 1.963 20 0 EDADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000662351999 453068230 /nfs/dbraw/zinc/06/82/30/453068230.db2.gz LRTTUIKIVDAZQF-MRXNPFEDSA-N 2 2 339.867 1.861 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662354424 453069141 /nfs/dbraw/zinc/06/91/41/453069141.db2.gz GGZPEABNVSYQSK-KRWDZBQOSA-N 2 2 349.475 1.400 20 0 EDADLP CCC(C)(C)OCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654968043 453087755 /nfs/dbraw/zinc/08/77/55/453087755.db2.gz RKFUNJIWSTUMDX-MRXNPFEDSA-N 2 2 325.497 1.819 20 0 EDADLP CCC(C)(C)OCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654968043 453087763 /nfs/dbraw/zinc/08/77/63/453087763.db2.gz RKFUNJIWSTUMDX-MRXNPFEDSA-N 2 2 325.497 1.819 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CCO[C@@H]3C[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000644170729 453100609 /nfs/dbraw/zinc/10/06/09/453100609.db2.gz FPDXLVIRFUBPIN-JKSUJKDBSA-N 2 2 336.480 1.119 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCC[C@@H]3CCCC[C@H]31)CCO2 ZINC000646102900 453103372 /nfs/dbraw/zinc/10/33/72/453103372.db2.gz WPRSIKWRUWNEEQ-ZWKOTPCHSA-N 2 2 349.519 1.964 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCC[C@@H]3CCCC[C@H]31)CCO2 ZINC000646102900 453103379 /nfs/dbraw/zinc/10/33/79/453103379.db2.gz WPRSIKWRUWNEEQ-ZWKOTPCHSA-N 2 2 349.519 1.964 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CCO1 ZINC000664449915 453106498 /nfs/dbraw/zinc/10/64/98/453106498.db2.gz JUUGTPYADRAGBD-INIZCTEOSA-N 2 2 345.447 1.587 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000664520912 453161830 /nfs/dbraw/zinc/16/18/30/453161830.db2.gz JRFOIMPKIWKZJA-OAGGEKHMSA-N 2 2 338.496 1.127 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000664520912 453161835 /nfs/dbraw/zinc/16/18/35/453161835.db2.gz JRFOIMPKIWKZJA-OAGGEKHMSA-N 2 2 338.496 1.127 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000652999831 453189839 /nfs/dbraw/zinc/18/98/39/453189839.db2.gz LJSAZEDSNGZUAN-UHFFFAOYSA-N 2 2 349.475 1.169 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(C[NH+]3CCSCC3)nn2)C1 ZINC000656448273 453190402 /nfs/dbraw/zinc/19/04/02/453190402.db2.gz UUCVUVWBOMMPTE-MRXNPFEDSA-N 2 2 339.509 1.184 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](Cn2cc(C[NH+]3CCSCC3)nn2)C1 ZINC000656448273 453190407 /nfs/dbraw/zinc/19/04/07/453190407.db2.gz UUCVUVWBOMMPTE-MRXNPFEDSA-N 2 2 339.509 1.184 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000646188809 453202419 /nfs/dbraw/zinc/20/24/19/453202419.db2.gz MJXZUPBNPCDXGI-KRWDZBQOSA-N 3 2 345.491 1.113 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000646188809 453202425 /nfs/dbraw/zinc/20/24/25/453202425.db2.gz MJXZUPBNPCDXGI-KRWDZBQOSA-N 3 2 345.491 1.113 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000648718591 453206636 /nfs/dbraw/zinc/20/66/36/453206636.db2.gz SIVAFZRYFMGLJT-QRQLOZEOSA-N 2 2 345.487 1.825 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000648718591 453206644 /nfs/dbraw/zinc/20/66/44/453206644.db2.gz SIVAFZRYFMGLJT-QRQLOZEOSA-N 2 2 345.487 1.825 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H](C)O1 ZINC000651046450 453220508 /nfs/dbraw/zinc/22/05/08/453220508.db2.gz AXRDXELRJMFQMZ-HUUCEWRRSA-N 2 2 334.464 1.377 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000653061097 453237063 /nfs/dbraw/zinc/23/70/63/453237063.db2.gz BKHMLNGNUCQJNC-INIZCTEOSA-N 2 2 332.448 1.143 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cc(F)ccc1Br ZINC000653065515 453242633 /nfs/dbraw/zinc/24/26/33/453242633.db2.gz IQLASUWOAPKHAV-GFCCVEGCSA-N 2 2 332.217 1.483 20 0 EDADLP Cc1cc(C)n(-c2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2F)n1 ZINC000653072403 453251402 /nfs/dbraw/zinc/25/14/02/453251402.db2.gz QEBVAIPLUXCAKC-OAHLLOKOSA-N 2 2 333.411 1.846 20 0 EDADLP Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653079974 453259832 /nfs/dbraw/zinc/25/98/32/453259832.db2.gz VDIUJBUKQLJEHH-CQSZACIVSA-N 2 2 329.404 1.795 20 0 EDADLP Cc1c(Cl)cccc1NC(=O)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653082012 453261720 /nfs/dbraw/zinc/26/17/20/453261720.db2.gz GOQHUPJUOQHREO-CYBMUJFWSA-N 2 2 340.855 1.372 20 0 EDADLP CC(C)Cn1nccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648780734 453262877 /nfs/dbraw/zinc/26/28/77/453262877.db2.gz XYRUVOPAJAURLQ-HNNXBMFYSA-N 2 2 333.480 1.437 20 0 EDADLP CC(C)Cn1nccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648780734 453262882 /nfs/dbraw/zinc/26/28/82/453262882.db2.gz XYRUVOPAJAURLQ-HNNXBMFYSA-N 2 2 333.480 1.437 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000653092660 453274471 /nfs/dbraw/zinc/27/44/71/453274471.db2.gz HTJQKIDGTREQAP-QGZVFWFLSA-N 2 2 335.448 1.710 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000653091184 453274595 /nfs/dbraw/zinc/27/45/95/453274595.db2.gz MWUFZAZTXOUVCQ-ROUUACIJSA-N 2 2 333.476 1.866 20 0 EDADLP Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c(OC[C@@H]2CCOC2)c1 ZINC000653099284 453282259 /nfs/dbraw/zinc/28/22/59/453282259.db2.gz LHRKNEFLXPIDNW-NVXWUHKLSA-N 2 2 349.475 1.306 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653106923 453289153 /nfs/dbraw/zinc/28/91/53/453289153.db2.gz QPNZLZWSCJBSAG-RBUKOAKNSA-N 2 2 345.487 1.874 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653108640 453291362 /nfs/dbraw/zinc/29/13/62/453291362.db2.gz CJLKBDLKIGYNAE-APWZRJJASA-N 3 2 346.519 1.956 20 0 EDADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653108640 453291367 /nfs/dbraw/zinc/29/13/67/453291367.db2.gz CJLKBDLKIGYNAE-APWZRJJASA-N 3 2 346.519 1.956 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653108654 453291943 /nfs/dbraw/zinc/29/19/43/453291943.db2.gz CSNRMHKHGPZMGY-LPHOPBHVSA-N 3 2 346.519 1.814 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653108654 453291951 /nfs/dbraw/zinc/29/19/51/453291951.db2.gz CSNRMHKHGPZMGY-LPHOPBHVSA-N 3 2 346.519 1.814 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000653109017 453294222 /nfs/dbraw/zinc/29/42/22/453294222.db2.gz PRNZLSVQQPNZCH-INIZCTEOSA-N 2 2 346.406 1.908 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000653110272 453295894 /nfs/dbraw/zinc/29/58/94/453295894.db2.gz BHQOHMKHSUMRRW-LLVKDONJSA-N 2 2 334.251 1.196 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000653112241 453297273 /nfs/dbraw/zinc/29/72/73/453297273.db2.gz RVHWJQIGCVYAAE-GOSISDBHSA-N 2 2 344.503 1.567 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000653117421 453305260 /nfs/dbraw/zinc/30/52/60/453305260.db2.gz LJPWLFGQNWTWLC-KRWDZBQOSA-N 3 2 332.492 1.388 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000653117421 453305268 /nfs/dbraw/zinc/30/52/68/453305268.db2.gz LJPWLFGQNWTWLC-KRWDZBQOSA-N 3 2 332.492 1.388 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653121465 453313456 /nfs/dbraw/zinc/31/34/56/453313456.db2.gz WANYHWRRQZGAPS-BPQIPLTHSA-N 3 2 332.492 1.292 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653121465 453313462 /nfs/dbraw/zinc/31/34/62/453313462.db2.gz WANYHWRRQZGAPS-BPQIPLTHSA-N 3 2 332.492 1.292 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471993 453332100 /nfs/dbraw/zinc/33/21/00/453332100.db2.gz GZJZCNFNSLQMHN-ULQDDVLXSA-N 2 2 325.497 1.866 20 0 EDADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471993 453332108 /nfs/dbraw/zinc/33/21/08/453332108.db2.gz GZJZCNFNSLQMHN-ULQDDVLXSA-N 2 2 325.497 1.866 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653151640 453338288 /nfs/dbraw/zinc/33/82/88/453338288.db2.gz MQOAVEXNMIXNRZ-HZPDHXFCSA-N 2 2 330.432 1.696 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000648864382 453338486 /nfs/dbraw/zinc/33/84/86/453338486.db2.gz FMTHEEWXJVUUDT-CVEARBPZSA-N 2 2 335.496 1.539 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000648864382 453338494 /nfs/dbraw/zinc/33/84/94/453338494.db2.gz FMTHEEWXJVUUDT-CVEARBPZSA-N 2 2 335.496 1.539 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000651195864 453348921 /nfs/dbraw/zinc/34/89/21/453348921.db2.gz DAXKKEUAQCAHTP-IRXDYDNUSA-N 2 2 340.512 1.469 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000651195864 453348932 /nfs/dbraw/zinc/34/89/32/453348932.db2.gz DAXKKEUAQCAHTP-IRXDYDNUSA-N 2 2 340.512 1.469 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000655241511 453360247 /nfs/dbraw/zinc/36/02/47/453360247.db2.gz NSTTVXWNMHZUJV-TTZDDIAXSA-N 2 2 334.464 1.368 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000655241511 453360255 /nfs/dbraw/zinc/36/02/55/453360255.db2.gz NSTTVXWNMHZUJV-TTZDDIAXSA-N 2 2 334.464 1.368 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c2[nH+]ccn21 ZINC000653174109 453364480 /nfs/dbraw/zinc/36/44/80/453364480.db2.gz ZKFPWHOXGMFIBV-UKRRQHHQSA-N 2 2 326.404 1.816 20 0 EDADLP CC(C)(CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000662663404 453377442 /nfs/dbraw/zinc/37/74/42/453377442.db2.gz ZYFBMFHKBJAPSD-AWEZNQCLSA-N 2 2 327.375 1.192 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000662671469 453386915 /nfs/dbraw/zinc/38/69/15/453386915.db2.gz UEWGGUDWOGEDQY-MSOLQXFVSA-N 2 2 347.459 1.093 20 0 EDADLP CC(C)[NH+](CC(=O)N1CCCCCC1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660546305 453391014 /nfs/dbraw/zinc/39/10/14/453391014.db2.gz IKXQCTQCSFUCOX-QGZVFWFLSA-N 2 2 327.513 1.801 20 0 EDADLP CC(C)[NH+](CC(=O)N1CCCCCC1)C[C@H](O)C[N@H+](C)C(C)C ZINC000660546305 453391019 /nfs/dbraw/zinc/39/10/19/453391019.db2.gz IKXQCTQCSFUCOX-QGZVFWFLSA-N 2 2 327.513 1.801 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000660546305 453391027 /nfs/dbraw/zinc/39/10/27/453391027.db2.gz IKXQCTQCSFUCOX-QGZVFWFLSA-N 2 2 327.513 1.801 20 0 EDADLP O=C(c1ccc2c(c1)C[NH2+]C2)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662702622 453424650 /nfs/dbraw/zinc/42/46/50/453424650.db2.gz AKAUKGZCZJZGCU-UHFFFAOYSA-N 2 2 329.444 1.474 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)c1 ZINC000662717958 453441205 /nfs/dbraw/zinc/44/12/05/453441205.db2.gz FWKPHZYRFMNRRU-BMGDILEWSA-N 2 2 347.459 1.264 20 0 EDADLP Cc1ccc2c(c1Br)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2 ZINC000662740166 453464652 /nfs/dbraw/zinc/46/46/52/453464652.db2.gz XVFBDZULAHJKLP-CYBMUJFWSA-N 2 2 340.265 1.879 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655355 453494565 /nfs/dbraw/zinc/49/45/65/453494565.db2.gz GSTACYXSLBNQPP-AUUYWEPGSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655355 453494573 /nfs/dbraw/zinc/49/45/73/453494573.db2.gz GSTACYXSLBNQPP-AUUYWEPGSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655355 453494578 /nfs/dbraw/zinc/49/45/78/453494578.db2.gz GSTACYXSLBNQPP-AUUYWEPGSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655355 453494582 /nfs/dbraw/zinc/49/45/82/453494582.db2.gz GSTACYXSLBNQPP-AUUYWEPGSA-N 2 2 344.459 1.530 20 0 EDADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660659362 453497121 /nfs/dbraw/zinc/49/71/21/453497121.db2.gz ONNGUIKDKWUQSD-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660659362 453497132 /nfs/dbraw/zinc/49/71/32/453497132.db2.gz ONNGUIKDKWUQSD-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)ccn12 ZINC000662785869 453518804 /nfs/dbraw/zinc/51/88/04/453518804.db2.gz QNXBXCCRPMVQGE-WBVHZDCISA-N 2 2 328.416 1.611 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCOC3(C)C)C2)CC1 ZINC000660711799 453541029 /nfs/dbraw/zinc/54/10/29/453541029.db2.gz HBCHWNIRDIINGY-LSDHHAIUSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCOC3(C)C)C2)CC1 ZINC000660711799 453541033 /nfs/dbraw/zinc/54/10/33/453541033.db2.gz HBCHWNIRDIINGY-LSDHHAIUSA-N 2 2 338.496 1.269 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000665047021 453552392 /nfs/dbraw/zinc/55/23/92/453552392.db2.gz YYFRJXGQXYCQPS-ZFWWWQNUSA-N 2 2 335.452 1.205 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000665047021 453552394 /nfs/dbraw/zinc/55/23/94/453552394.db2.gz YYFRJXGQXYCQPS-ZFWWWQNUSA-N 2 2 335.452 1.205 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667338281 453569153 /nfs/dbraw/zinc/56/91/53/453569153.db2.gz BCWGVFNZBMEJGZ-UHFFFAOYSA-N 2 2 338.496 1.082 20 0 EDADLP CO[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665117012 453580570 /nfs/dbraw/zinc/58/05/70/453580570.db2.gz BGZQXNHMDPQRNI-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP CO[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000665117012 453580571 /nfs/dbraw/zinc/58/05/71/453580571.db2.gz BGZQXNHMDPQRNI-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)c1cccnc1 ZINC000665156112 453594908 /nfs/dbraw/zinc/59/49/08/453594908.db2.gz ZJVWPRGETJCXTO-UHFFFAOYSA-N 2 2 335.496 1.542 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)c1cccnc1 ZINC000665156112 453594911 /nfs/dbraw/zinc/59/49/11/453594911.db2.gz ZJVWPRGETJCXTO-UHFFFAOYSA-N 2 2 335.496 1.542 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236361 453618569 /nfs/dbraw/zinc/61/85/69/453618569.db2.gz LILNNRZJEDBBIH-ZWNOBZJWSA-N 2 2 341.253 1.162 20 0 EDADLP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000660862691 453619687 /nfs/dbraw/zinc/61/96/87/453619687.db2.gz YOVFCCDLGNZMRW-HNNXBMFYSA-N 2 2 340.418 1.771 20 0 EDADLP Cc1cnc(CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000665256171 453627233 /nfs/dbraw/zinc/62/72/33/453627233.db2.gz RFFQAUZCCIJBIU-UHFFFAOYSA-N 2 2 335.496 1.424 20 0 EDADLP Cc1cnc(CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000665256171 453627238 /nfs/dbraw/zinc/62/72/38/453627238.db2.gz RFFQAUZCCIJBIU-UHFFFAOYSA-N 2 2 335.496 1.424 20 0 EDADLP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCO1 ZINC000662972076 453630774 /nfs/dbraw/zinc/63/07/74/453630774.db2.gz HVTLVFAHLAXKJN-LRDDRELGSA-N 2 2 341.402 1.534 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[C@@H](C)CO1 ZINC000665270788 453631278 /nfs/dbraw/zinc/63/12/78/453631278.db2.gz AXFGCNLPUPFPFX-HZMVEIRTSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[C@@H](C)CO1 ZINC000665270788 453631281 /nfs/dbraw/zinc/63/12/81/453631281.db2.gz AXFGCNLPUPFPFX-HZMVEIRTSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@@H](C)CO1 ZINC000665270788 453631286 /nfs/dbraw/zinc/63/12/86/453631286.db2.gz AXFGCNLPUPFPFX-HZMVEIRTSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@@H](C)CO1 ZINC000665270788 453631289 /nfs/dbraw/zinc/63/12/89/453631289.db2.gz AXFGCNLPUPFPFX-HZMVEIRTSA-N 2 2 338.496 1.412 20 0 EDADLP COc1ccccc1-c1cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)on1 ZINC000662979050 453634298 /nfs/dbraw/zinc/63/42/98/453634298.db2.gz LTISXXPCWQVKPR-AWEZNQCLSA-N 2 2 332.404 1.245 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660890423 453634805 /nfs/dbraw/zinc/63/48/05/453634805.db2.gz VFKVMUMCOMCIBF-PBHICJAKSA-N 2 2 343.475 1.964 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660890423 453634806 /nfs/dbraw/zinc/63/48/06/453634806.db2.gz VFKVMUMCOMCIBF-PBHICJAKSA-N 2 2 343.475 1.964 20 0 EDADLP FC1(F)Oc2cccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)c2O1 ZINC000665283522 453635811 /nfs/dbraw/zinc/63/58/11/453635811.db2.gz PGLPXMVZJVIDLD-UONOGXRCSA-N 2 2 326.343 1.865 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000657069163 453659260 /nfs/dbraw/zinc/65/92/60/453659260.db2.gz MZGKUGPKGUZKIQ-UHFFFAOYSA-N 2 2 340.493 1.443 20 0 EDADLP CCc1ccccc1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071773 453661196 /nfs/dbraw/zinc/66/11/96/453661196.db2.gz USRHEXQLKVGHGL-HNNXBMFYSA-N 2 2 341.521 1.799 20 0 EDADLP CCc1ccccc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071773 453661199 /nfs/dbraw/zinc/66/11/99/453661199.db2.gz USRHEXQLKVGHGL-HNNXBMFYSA-N 2 2 341.521 1.799 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000657072237 453661979 /nfs/dbraw/zinc/66/19/79/453661979.db2.gz YEGCOABHOIMJAJ-JYJNAYRXSA-N 2 2 348.557 1.071 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000657072237 453661980 /nfs/dbraw/zinc/66/19/80/453661980.db2.gz YEGCOABHOIMJAJ-JYJNAYRXSA-N 2 2 348.557 1.071 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1ccccc1F ZINC000657092081 453675294 /nfs/dbraw/zinc/67/52/94/453675294.db2.gz PPIIMZIPOGQMRB-UHFFFAOYSA-N 2 2 331.457 1.129 20 0 EDADLP Cc1cccc(C)c1CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657093087 453676521 /nfs/dbraw/zinc/67/65/21/453676521.db2.gz XZFOGMITAKAIEL-UHFFFAOYSA-N 2 2 341.521 1.606 20 0 EDADLP Cc1cccc(C)c1CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657093087 453676526 /nfs/dbraw/zinc/67/65/26/453676526.db2.gz XZFOGMITAKAIEL-UHFFFAOYSA-N 2 2 341.521 1.606 20 0 EDADLP Cc1ccc(CNC(=O)N(C)CC2C[NH+](C)C2)c(N2CCCC2)[nH+]1 ZINC000661007660 453678995 /nfs/dbraw/zinc/67/89/95/453678995.db2.gz BBCKXLOOVHWPPD-UHFFFAOYSA-N 2 2 331.464 1.693 20 0 EDADLP CCOc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(C)c1 ZINC000657364512 453774936 /nfs/dbraw/zinc/77/49/36/453774936.db2.gz WTRVFZGVRIBHRR-LJQANCHMSA-N 2 2 347.503 1.890 20 0 EDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c[nH+]c2n1CCC2 ZINC000657373372 453777748 /nfs/dbraw/zinc/77/77/48/453777748.db2.gz UGYVRSAMQHGEIT-IEBWSBKVSA-N 2 2 340.471 1.802 20 0 EDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1c[nH+]c2n1CCC2 ZINC000657373372 453777752 /nfs/dbraw/zinc/77/77/52/453777752.db2.gz UGYVRSAMQHGEIT-IEBWSBKVSA-N 2 2 340.471 1.802 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663372661 453782848 /nfs/dbraw/zinc/78/28/48/453782848.db2.gz OZTUXEOTSHZQIA-WOJBJXKFSA-N 2 2 349.519 1.426 20 0 EDADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663372661 453782849 /nfs/dbraw/zinc/78/28/49/453782849.db2.gz OZTUXEOTSHZQIA-WOJBJXKFSA-N 2 2 349.519 1.426 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000665690156 453789272 /nfs/dbraw/zinc/78/92/72/453789272.db2.gz IKAGGJVRGXIBAD-UONOGXRCSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NC3CC[NH+](C4CC4)CC3)[nH+]cn2)C1 ZINC000665690156 453789275 /nfs/dbraw/zinc/78/92/75/453789275.db2.gz IKAGGJVRGXIBAD-UONOGXRCSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000663425297 453794827 /nfs/dbraw/zinc/79/48/27/453794827.db2.gz OTJARCDLDQSBGD-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000663425297 453794830 /nfs/dbraw/zinc/79/48/30/453794830.db2.gz OTJARCDLDQSBGD-CVEARBPZSA-N 2 2 340.512 1.659 20 0 EDADLP [NH3+][C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[C@H]1F ZINC000663506669 453812470 /nfs/dbraw/zinc/81/24/70/453812470.db2.gz NLNOIYDMSVFZCX-VXGBXAGGSA-N 2 2 327.201 1.968 20 0 EDADLP CN(C(=O)NC1CC(F)(F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683224865 486661424 /nfs/dbraw/zinc/66/14/24/486661424.db2.gz SDLNHQFSSKDEOZ-AWEZNQCLSA-N 2 2 330.423 1.594 20 0 EDADLP CN(C(=O)NC1CC(F)(F)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683224865 486661427 /nfs/dbraw/zinc/66/14/27/486661427.db2.gz SDLNHQFSSKDEOZ-AWEZNQCLSA-N 2 2 330.423 1.594 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3[nH+]ccn3c2)CCCO1 ZINC000683367624 486697891 /nfs/dbraw/zinc/69/78/91/486697891.db2.gz CURVPMMGFVKXNC-CQSZACIVSA-N 2 2 331.420 1.957 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc3[nH+]ccn3c2)CCCO1 ZINC000683367624 486697895 /nfs/dbraw/zinc/69/78/95/486697895.db2.gz CURVPMMGFVKXNC-CQSZACIVSA-N 2 2 331.420 1.957 20 0 EDADLP C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676242516 486701972 /nfs/dbraw/zinc/70/19/72/486701972.db2.gz WJMMEVZJUPLQMQ-NWANDNLSSA-N 2 2 340.493 1.369 20 0 EDADLP C[C@H](NC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676242516 486701975 /nfs/dbraw/zinc/70/19/75/486701975.db2.gz WJMMEVZJUPLQMQ-NWANDNLSSA-N 2 2 340.493 1.369 20 0 EDADLP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000676242517 486702144 /nfs/dbraw/zinc/70/21/44/486702144.db2.gz WJMMEVZJUPLQMQ-QEJZJMRPSA-N 2 2 340.493 1.369 20 0 EDADLP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676242517 486702148 /nfs/dbraw/zinc/70/21/48/486702148.db2.gz WJMMEVZJUPLQMQ-QEJZJMRPSA-N 2 2 340.493 1.369 20 0 EDADLP Cc1nc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1Br ZINC000667384597 486752035 /nfs/dbraw/zinc/75/20/35/486752035.db2.gz GUSFWSAGPZFBBK-SNVBAGLBSA-N 2 2 342.241 1.259 20 0 EDADLP Cc1nc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1Br ZINC000667384597 486752042 /nfs/dbraw/zinc/75/20/42/486752042.db2.gz GUSFWSAGPZFBBK-SNVBAGLBSA-N 2 2 342.241 1.259 20 0 EDADLP NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000680329923 486752158 /nfs/dbraw/zinc/75/21/58/486752158.db2.gz VDUWHOXFKPECBT-GFCCVEGCSA-N 2 2 340.474 1.434 20 0 EDADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000680329923 486752162 /nfs/dbraw/zinc/75/21/62/486752162.db2.gz VDUWHOXFKPECBT-GFCCVEGCSA-N 2 2 340.474 1.434 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000672811700 486809806 /nfs/dbraw/zinc/80/98/06/486809806.db2.gz PJRHLQQGINMHAM-QGZVFWFLSA-N 2 2 326.444 1.991 20 0 EDADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000672811700 486809813 /nfs/dbraw/zinc/80/98/13/486809813.db2.gz PJRHLQQGINMHAM-QGZVFWFLSA-N 2 2 326.444 1.991 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)Cc2cn[nH]c2)CC1 ZINC000676704511 486847478 /nfs/dbraw/zinc/84/74/78/486847478.db2.gz MGCIXADXVHMYEL-INIZCTEOSA-N 2 2 341.459 1.747 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cn[nH]c2)CC1 ZINC000676704511 486847484 /nfs/dbraw/zinc/84/74/84/486847484.db2.gz MGCIXADXVHMYEL-INIZCTEOSA-N 2 2 341.459 1.747 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2F)CC1 ZINC000667561845 486847767 /nfs/dbraw/zinc/84/77/67/486847767.db2.gz JUTIYKSTVNFMJP-UHFFFAOYSA-N 2 2 343.393 1.994 20 0 EDADLP CO[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000667642100 486895575 /nfs/dbraw/zinc/89/55/75/486895575.db2.gz OMECPUXYLLZJIE-GOSISDBHSA-N 2 2 337.508 1.866 20 0 EDADLP CC(C)n1ncnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000683994639 486902211 /nfs/dbraw/zinc/90/22/11/486902211.db2.gz RKIZPXWTHXEYRE-UHFFFAOYSA-N 2 2 329.452 1.296 20 0 EDADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000676844939 486902227 /nfs/dbraw/zinc/90/22/27/486902227.db2.gz UOVPEOURMGCSKK-USXIJHARSA-N 2 2 332.448 1.205 20 0 EDADLP c1ccc(N2CC[C@H](Nc3nc(N4CCOCC4)cc[nH+]3)C2)[nH+]c1 ZINC000677125139 486981539 /nfs/dbraw/zinc/98/15/39/486981539.db2.gz KLQSSDJSNLBNLD-AWEZNQCLSA-N 2 2 326.404 1.399 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(C4CCCC4)C3)C2)CC1 ZINC000684388311 487046270 /nfs/dbraw/zinc/04/62/70/487046270.db2.gz XQGMKJCNDFWXPG-KRWDZBQOSA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(C4CCCC4)C3)C2)CC1 ZINC000684388311 487046274 /nfs/dbraw/zinc/04/62/74/487046274.db2.gz XQGMKJCNDFWXPG-KRWDZBQOSA-N 2 2 334.508 1.987 20 0 EDADLP O=C(C1CC1)N1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668027251 487068239 /nfs/dbraw/zinc/06/82/39/487068239.db2.gz GLTPFFIDAUBHIT-UHFFFAOYSA-N 2 2 325.416 1.712 20 0 EDADLP O=C(C1CC1)N1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668027251 487068243 /nfs/dbraw/zinc/06/82/43/487068243.db2.gz GLTPFFIDAUBHIT-UHFFFAOYSA-N 2 2 325.416 1.712 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3Cc4ccc(F)cc43)C2)CC1 ZINC000684440261 487061061 /nfs/dbraw/zinc/06/10/61/487061061.db2.gz GWFXLEVUTZTPHW-CRAIPNDOSA-N 2 2 331.435 1.750 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3Cc4ccc(F)cc43)C2)CC1 ZINC000684440261 487061066 /nfs/dbraw/zinc/06/10/66/487061066.db2.gz GWFXLEVUTZTPHW-CRAIPNDOSA-N 2 2 331.435 1.750 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668071379 487089320 /nfs/dbraw/zinc/08/93/20/487089320.db2.gz LCIJMIFDCGMCHX-MRXNPFEDSA-N 2 2 334.445 1.666 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668071379 487089323 /nfs/dbraw/zinc/08/93/23/487089323.db2.gz LCIJMIFDCGMCHX-MRXNPFEDSA-N 2 2 334.445 1.666 20 0 EDADLP Fc1cc(Cl)cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000681594104 487101630 /nfs/dbraw/zinc/10/16/30/487101630.db2.gz HFFXEPRJXJMCAQ-QGZVFWFLSA-N 2 2 341.858 1.975 20 0 EDADLP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000684612911 487115038 /nfs/dbraw/zinc/11/50/38/487115038.db2.gz ZMNMCWOEDLTQSQ-CYBMUJFWSA-N 2 2 343.393 2.000 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[NH+](CC(C)(C)O)CC3)cc2[nH+]1 ZINC000668154225 487121655 /nfs/dbraw/zinc/12/16/55/487121655.db2.gz JFXSNMXRMNNDPQ-UHFFFAOYSA-N 2 2 331.420 1.563 20 0 EDADLP Cc1cn2ccc(NC(=O)N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)cc2[nH+]1 ZINC000668166139 487127738 /nfs/dbraw/zinc/12/77/38/487127738.db2.gz RJUGJMNFPUTFKI-OKILXGFUSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2ccc(NC(=O)N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)cc2[nH+]1 ZINC000668166139 487127742 /nfs/dbraw/zinc/12/77/42/487127742.db2.gz RJUGJMNFPUTFKI-OKILXGFUSA-N 2 2 331.420 1.562 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000674001886 487181348 /nfs/dbraw/zinc/18/13/48/487181348.db2.gz XXHYOSJLIZIHNS-UHFFFAOYSA-N 2 2 332.404 1.289 20 0 EDADLP CC(C)[C@H](C(=O)NCC12CCC[NH+]1CCC2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000684849908 487177770 /nfs/dbraw/zinc/17/77/70/487177770.db2.gz SUHKSFUOZYDHLD-IXDOHACOSA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)[C@H](C(=O)NCC12CCC[NH+]1CCC2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000684849908 487177775 /nfs/dbraw/zinc/17/77/75/487177775.db2.gz SUHKSFUOZYDHLD-IXDOHACOSA-N 2 2 337.508 1.865 20 0 EDADLP CC(C)c1cc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)on1 ZINC000674028953 487187357 /nfs/dbraw/zinc/18/73/57/487187357.db2.gz AISZYELIGSPZHG-UHFFFAOYSA-N 2 2 337.468 1.623 20 0 EDADLP C[C@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677905052 487197828 /nfs/dbraw/zinc/19/78/28/487197828.db2.gz JHSYNBBMJALVBJ-HOCLYGCPSA-N 2 2 345.447 1.787 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677905052 487197831 /nfs/dbraw/zinc/19/78/31/487197831.db2.gz JHSYNBBMJALVBJ-HOCLYGCPSA-N 2 2 345.447 1.787 20 0 EDADLP C[C@H](NC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1)C1CC[NH+](C)CC1 ZINC000681875525 487214397 /nfs/dbraw/zinc/21/43/97/487214397.db2.gz XBKBDJZBEBFMMO-ZFWWWQNUSA-N 2 2 334.468 1.138 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C4CC4)cn3)C2)CC1 ZINC000674799906 487324511 /nfs/dbraw/zinc/32/45/11/487324511.db2.gz OIFKAOFIURPRQM-INIZCTEOSA-N 2 2 328.460 1.857 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C4CC4)cn3)C2)CC1 ZINC000674799906 487324512 /nfs/dbraw/zinc/32/45/12/487324512.db2.gz OIFKAOFIURPRQM-INIZCTEOSA-N 2 2 328.460 1.857 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000678714774 487356109 /nfs/dbraw/zinc/35/61/09/487356109.db2.gz OXOQRSAAJOCFLT-GOSISDBHSA-N 2 2 347.503 1.842 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)[nH+]c12 ZINC000679378185 487419558 /nfs/dbraw/zinc/41/95/58/487419558.db2.gz FWVANCKTUNUFMV-WBVHZDCISA-N 2 2 341.459 1.921 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)[nH+]c12 ZINC000679378185 487419561 /nfs/dbraw/zinc/41/95/61/487419561.db2.gz FWVANCKTUNUFMV-WBVHZDCISA-N 2 2 341.459 1.921 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985170 485606910 /nfs/dbraw/zinc/60/69/10/485606910.db2.gz BRDPRICAMWETLS-KURKYZTESA-N 2 2 337.508 1.963 20 0 EDADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985170 485606916 /nfs/dbraw/zinc/60/69/16/485606916.db2.gz BRDPRICAMWETLS-KURKYZTESA-N 2 2 337.508 1.963 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[C@H]1[NH3+] ZINC000669153500 485744238 /nfs/dbraw/zinc/74/42/38/485744238.db2.gz FHXHJSZIDYSORL-JKSUJKDBSA-N 2 2 331.464 1.951 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c[nH+]1 ZINC000669156619 485749947 /nfs/dbraw/zinc/74/99/47/485749947.db2.gz HZHQCJFARBSSAU-CVEARBPZSA-N 2 2 331.464 1.821 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669209996 485810935 /nfs/dbraw/zinc/81/09/35/485810935.db2.gz CXUVYZJFJLFQLN-ZWKOTPCHSA-N 2 2 339.443 1.825 20 0 EDADLP COCCCOCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616971 485954380 /nfs/dbraw/zinc/95/43/80/485954380.db2.gz IOJOUBOFSHFIPF-QGZVFWFLSA-N 2 2 341.496 1.057 20 0 EDADLP COCCCOCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616971 485954385 /nfs/dbraw/zinc/95/43/85/485954385.db2.gz IOJOUBOFSHFIPF-QGZVFWFLSA-N 2 2 341.496 1.057 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ncoc3C(F)(F)F)C2)CC1 ZINC000668640085 485983778 /nfs/dbraw/zinc/98/37/78/485983778.db2.gz OZWXJVVQXFRHAE-JTQLQIEISA-N 2 2 346.353 1.592 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ncoc3C(F)(F)F)C2)CC1 ZINC000668640085 485983785 /nfs/dbraw/zinc/98/37/85/485983785.db2.gz OZWXJVVQXFRHAE-JTQLQIEISA-N 2 2 346.353 1.592 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000668666525 486017288 /nfs/dbraw/zinc/01/72/88/486017288.db2.gz IYUWILWYXDXYBR-HZPDHXFCSA-N 3 2 335.496 1.256 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000238067566 486027649 /nfs/dbraw/zinc/02/76/49/486027649.db2.gz UNFVGVUVRRRSIE-MRXNPFEDSA-N 2 2 335.473 1.552 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(C2CC2)cnn1C ZINC000668690782 486052388 /nfs/dbraw/zinc/05/23/88/486052388.db2.gz ZVFBRLMMODDMJL-UHFFFAOYSA-N 2 2 333.480 1.396 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(C2CC2)cnn1C ZINC000668690782 486052391 /nfs/dbraw/zinc/05/23/91/486052391.db2.gz ZVFBRLMMODDMJL-UHFFFAOYSA-N 2 2 333.480 1.396 20 0 EDADLP CC(C)N(C)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000668740204 486113378 /nfs/dbraw/zinc/11/33/78/486113378.db2.gz RMTZNAGJNYGMFQ-GOSISDBHSA-N 2 2 332.492 1.957 20 0 EDADLP CC(C)N(C)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000668740204 486113384 /nfs/dbraw/zinc/11/33/84/486113384.db2.gz RMTZNAGJNYGMFQ-GOSISDBHSA-N 2 2 332.492 1.957 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NCC1=CC[NH2+]CC1 ZINC000669413109 486117396 /nfs/dbraw/zinc/11/73/96/486117396.db2.gz SOWCBJSOIOFGQT-UHFFFAOYSA-N 2 2 329.379 1.730 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(-n3cncn3)c(F)c2)CCO1 ZINC000668784069 486193250 /nfs/dbraw/zinc/19/32/50/486193250.db2.gz AANWFGOVEICIOJ-INIZCTEOSA-N 2 2 347.438 1.949 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)c(F)c2)CCO1 ZINC000668784069 486193256 /nfs/dbraw/zinc/19/32/56/486193256.db2.gz AANWFGOVEICIOJ-INIZCTEOSA-N 2 2 347.438 1.949 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[NH2+]C1CC1)c1ccc(F)cc1 ZINC000668877176 486290263 /nfs/dbraw/zinc/29/02/63/486290263.db2.gz JSCXHTUKCKVQFF-OAHLLOKOSA-N 2 2 331.395 1.700 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000601323652 486317761 /nfs/dbraw/zinc/31/77/61/486317761.db2.gz DACVNBZASVALBK-WMLDXEAASA-N 2 2 347.459 1.681 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000601323652 486317765 /nfs/dbraw/zinc/31/77/65/486317765.db2.gz DACVNBZASVALBK-WMLDXEAASA-N 2 2 347.459 1.681 20 0 EDADLP C[C@@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)[NH+]1CCCCCC1 ZINC000670399773 486445506 /nfs/dbraw/zinc/44/55/06/486445506.db2.gz GDJZIKWYDOZTMR-HNNXBMFYSA-N 2 2 349.479 1.936 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670081592 486608225 /nfs/dbraw/zinc/60/82/25/486608225.db2.gz HGKHXJFLACZARF-HNNXBMFYSA-N 2 2 349.479 1.534 20 0 EDADLP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672148744 491196794 /nfs/dbraw/zinc/19/67/94/491196794.db2.gz WVYXNOYTNJIHRZ-CQSZACIVSA-N 2 2 328.416 1.568 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135645007 491230004 /nfs/dbraw/zinc/23/00/04/491230004.db2.gz ISOCCILINQBZJC-QGZVFWFLSA-N 2 2 345.491 1.472 20 0 EDADLP Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135645007 491230008 /nfs/dbraw/zinc/23/00/08/491230008.db2.gz ISOCCILINQBZJC-QGZVFWFLSA-N 2 2 345.491 1.472 20 0 EDADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000135940564 491230432 /nfs/dbraw/zinc/23/04/32/491230432.db2.gz ODAWYYYRXGVJBI-LLVKDONJSA-N 2 2 331.445 1.919 20 0 EDADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)sc2C1 ZINC000135940564 491230437 /nfs/dbraw/zinc/23/04/37/491230437.db2.gz ODAWYYYRXGVJBI-LLVKDONJSA-N 2 2 331.445 1.919 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000305130223 491009989 /nfs/dbraw/zinc/00/99/89/491009989.db2.gz JOKGIBQXXHZZDP-OKZBNKHCSA-N 2 2 336.501 1.686 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000305130223 491009990 /nfs/dbraw/zinc/00/99/90/491009990.db2.gz JOKGIBQXXHZZDP-OKZBNKHCSA-N 2 2 336.501 1.686 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000305130223 491009991 /nfs/dbraw/zinc/00/99/91/491009991.db2.gz JOKGIBQXXHZZDP-OKZBNKHCSA-N 2 2 336.501 1.686 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000305130223 491009992 /nfs/dbraw/zinc/00/99/92/491009992.db2.gz JOKGIBQXXHZZDP-OKZBNKHCSA-N 2 2 336.501 1.686 20 0 EDADLP Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc12 ZINC000568253275 501009097 /nfs/dbraw/zinc/00/90/97/501009097.db2.gz KOJDTQXDBJAJQZ-QGZVFWFLSA-N 2 2 343.475 1.963 20 0 EDADLP Cc1nn(C)c2ncc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cc12 ZINC000568253275 501009102 /nfs/dbraw/zinc/00/91/02/501009102.db2.gz KOJDTQXDBJAJQZ-QGZVFWFLSA-N 2 2 343.475 1.963 20 0 EDADLP Cc1cc(N2CCN(C(=O)c3c[nH+]ccc3N)CC2)nc(C(C)C)[nH+]1 ZINC000188042137 533897688 /nfs/dbraw/zinc/89/76/88/533897688.db2.gz ASTRIOYOQVMRAQ-UHFFFAOYSA-N 2 2 340.431 1.848 20 0 EDADLP C[C@H](c1cccnc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000183717494 534148358 /nfs/dbraw/zinc/14/83/58/534148358.db2.gz VCWWEUQEWUULHR-OAHLLOKOSA-N 2 2 326.448 1.816 20 0 EDADLP C[C@H](c1cccnc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000183717494 534148368 /nfs/dbraw/zinc/14/83/68/534148368.db2.gz VCWWEUQEWUULHR-OAHLLOKOSA-N 2 2 326.448 1.816 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178078451 534673356 /nfs/dbraw/zinc/67/33/56/534673356.db2.gz INFMBONJHCLXFV-INIZCTEOSA-N 2 2 342.443 1.525 20 0 EDADLP Cn1c[nH+]cc1[C@H]1NC(=[NH2+])Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000159004281 534815001 /nfs/dbraw/zinc/81/50/01/534815001.db2.gz FEISIYIUPSBRIA-AWEZNQCLSA-N 2 2 339.359 1.027 20 0 EDADLP CC[NH+](CC)CCSCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000174414744 528160905 /nfs/dbraw/zinc/16/09/05/528160905.db2.gz SCLAPCSKOSXSBE-UHFFFAOYSA-N 2 2 331.526 1.288 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCNC(=O)[C@@H]2CC)CC1 ZINC000093050109 534934595 /nfs/dbraw/zinc/93/45/95/534934595.db2.gz VTNTZABHNXWVLH-SFHVURJKSA-N 2 2 344.503 1.929 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCNC(=O)[C@@H]2CC)CC1 ZINC000093050109 534934601 /nfs/dbraw/zinc/93/46/01/534934601.db2.gz VTNTZABHNXWVLH-SFHVURJKSA-N 2 2 344.503 1.929 20 0 EDADLP CCCCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352573124 535041521 /nfs/dbraw/zinc/04/15/21/535041521.db2.gz QOMMWEWUNDUMJK-UHFFFAOYSA-N 2 2 347.503 1.815 20 0 EDADLP CCCCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000352573124 535041530 /nfs/dbraw/zinc/04/15/30/535041530.db2.gz QOMMWEWUNDUMJK-UHFFFAOYSA-N 2 2 347.503 1.815 20 0 EDADLP CC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000047578043 535536879 /nfs/dbraw/zinc/53/68/79/535536879.db2.gz MTOGGWRPFNPFKB-GOSISDBHSA-N 2 2 348.491 1.528 20 0 EDADLP CC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000047578043 535536886 /nfs/dbraw/zinc/53/68/86/535536886.db2.gz MTOGGWRPFNPFKB-GOSISDBHSA-N 2 2 348.491 1.528 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3nnc(C)[nH]3)CC2)CC1 ZINC000332482997 535613229 /nfs/dbraw/zinc/61/32/29/535613229.db2.gz RNDYAWXVAWPTIG-AWEZNQCLSA-N 2 2 348.495 1.440 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000245809528 535645098 /nfs/dbraw/zinc/64/50/98/535645098.db2.gz OBADFSNFXYRHFJ-RCCFBDPRSA-N 2 2 338.540 1.782 20 0 EDADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000245809528 535645102 /nfs/dbraw/zinc/64/51/02/535645102.db2.gz OBADFSNFXYRHFJ-RCCFBDPRSA-N 2 2 338.540 1.782 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262453050 535702468 /nfs/dbraw/zinc/70/24/68/535702468.db2.gz WETYBTQWKOZYCU-QGZVFWFLSA-N 2 2 346.475 1.525 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000262797992 535705203 /nfs/dbraw/zinc/70/52/03/535705203.db2.gz DUJVHRJVJPBQAN-QFBILLFUSA-N 2 2 332.492 1.250 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262662122 535706492 /nfs/dbraw/zinc/70/64/92/535706492.db2.gz OAPOXHYUNDJAON-WMZOPIPTSA-N 2 2 332.492 1.385 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262662122 535706499 /nfs/dbraw/zinc/70/64/99/535706499.db2.gz OAPOXHYUNDJAON-WMZOPIPTSA-N 2 2 332.492 1.385 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CCOCC1 ZINC000347342016 535984437 /nfs/dbraw/zinc/98/44/37/535984437.db2.gz GBZKHLNKZOWLNW-OAHLLOKOSA-N 2 2 347.419 1.367 20 0 EDADLP CCc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000347877314 536177990 /nfs/dbraw/zinc/17/79/90/536177990.db2.gz YZWNYZOGMBINFX-UHFFFAOYSA-N 2 2 326.448 1.822 20 0 EDADLP COC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000262214259 536661060 /nfs/dbraw/zinc/66/10/60/536661060.db2.gz FDQWUAGVDJMYPN-HZPDHXFCSA-N 2 2 339.867 1.784 20 0 EDADLP COC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000262214259 536661066 /nfs/dbraw/zinc/66/10/66/536661066.db2.gz FDQWUAGVDJMYPN-HZPDHXFCSA-N 2 2 339.867 1.784 20 0 EDADLP Cc1nc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c2ccccn12 ZINC000741221008 579401960 /nfs/dbraw/zinc/40/19/60/579401960.db2.gz YDFKWZBDIUMWAZ-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1nc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c2ccccn12 ZINC000741221008 579401961 /nfs/dbraw/zinc/40/19/61/579401961.db2.gz YDFKWZBDIUMWAZ-HNNXBMFYSA-N 2 2 341.459 1.541 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC[NH+]1CCOCC1 ZINC000737936639 578304176 /nfs/dbraw/zinc/30/41/76/578304176.db2.gz JPSVENRAABTREX-UHFFFAOYSA-N 2 2 347.459 1.488 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000726256141 578339192 /nfs/dbraw/zinc/33/91/92/578339192.db2.gz CXTGCVFIXJGCDT-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000726256141 578339193 /nfs/dbraw/zinc/33/91/93/578339193.db2.gz CXTGCVFIXJGCDT-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)([NH+](C)C)C1 ZINC000726256644 578339418 /nfs/dbraw/zinc/33/94/18/578339418.db2.gz ZNXJEKZSXKJGLI-RYRKJORJSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H]1CCC[C@](CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)([NH+](C)C)C1 ZINC000726256644 578339419 /nfs/dbraw/zinc/33/94/19/578339419.db2.gz ZNXJEKZSXKJGLI-RYRKJORJSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000726257525 578339524 /nfs/dbraw/zinc/33/95/24/578339524.db2.gz RZDCUUVOWZRPRA-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000726257525 578339526 /nfs/dbraw/zinc/33/95/26/578339526.db2.gz RZDCUUVOWZRPRA-RDJZCZTQSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)[NH+](C)C)cc1 ZINC000726260975 578340536 /nfs/dbraw/zinc/34/05/36/578340536.db2.gz ZAYIAUMMMNKFBU-AEFFLSMTSA-N 2 2 348.491 1.618 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)[NH+](C)C)cc1 ZINC000726260975 578340537 /nfs/dbraw/zinc/34/05/37/578340537.db2.gz ZAYIAUMMMNKFBU-AEFFLSMTSA-N 2 2 348.491 1.618 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000728929892 578554566 /nfs/dbraw/zinc/55/45/66/578554566.db2.gz BZZJFKNLPAZBLD-UHFFFAOYSA-N 2 2 333.476 1.860 20 0 EDADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000729430991 578574948 /nfs/dbraw/zinc/57/49/48/578574948.db2.gz DDBPQZAMFREILD-INIZCTEOSA-N 2 2 343.431 1.450 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1C ZINC000729500427 578578508 /nfs/dbraw/zinc/57/85/08/578578508.db2.gz YGGWULUZFQSVAL-CABCVRRESA-N 2 2 348.447 1.369 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1C ZINC000729500427 578578510 /nfs/dbraw/zinc/57/85/10/578578510.db2.gz YGGWULUZFQSVAL-CABCVRRESA-N 2 2 348.447 1.369 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000729606758 578584629 /nfs/dbraw/zinc/58/46/29/578584629.db2.gz QGIDCPSRXSXOJI-INIZCTEOSA-N 2 2 342.447 1.798 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000729606758 578584630 /nfs/dbraw/zinc/58/46/30/578584630.db2.gz QGIDCPSRXSXOJI-INIZCTEOSA-N 2 2 342.447 1.798 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729648040 578586471 /nfs/dbraw/zinc/58/64/71/578586471.db2.gz WDEXEJJZSWIWQI-SOUVJXGZSA-N 2 2 328.526 1.044 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000729648040 578586472 /nfs/dbraw/zinc/58/64/72/578586472.db2.gz WDEXEJJZSWIWQI-SOUVJXGZSA-N 2 2 328.526 1.044 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000730908508 578663346 /nfs/dbraw/zinc/66/33/46/578663346.db2.gz UAGUKXJTDMBZAL-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000730908508 578663347 /nfs/dbraw/zinc/66/33/47/578663347.db2.gz UAGUKXJTDMBZAL-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCc1ccno1 ZINC000731028853 578665687 /nfs/dbraw/zinc/66/56/87/578665687.db2.gz RSWIMEBHDKOORJ-UHFFFAOYSA-N 2 2 343.431 1.881 20 0 EDADLP NC(CC[NH+]1CCN(Cc2ccccc2)CC1)=[NH+]OCc1ccno1 ZINC000731028853 578665688 /nfs/dbraw/zinc/66/56/88/578665688.db2.gz RSWIMEBHDKOORJ-UHFFFAOYSA-N 2 2 343.431 1.881 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734268247 578805642 /nfs/dbraw/zinc/80/56/42/578805642.db2.gz YYZTXGZJWGIBGI-AWEZNQCLSA-N 2 2 326.404 1.303 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734268247 578805644 /nfs/dbraw/zinc/80/56/44/578805644.db2.gz YYZTXGZJWGIBGI-AWEZNQCLSA-N 2 2 326.404 1.303 20 0 EDADLP COC(=O)Cc1ccccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000760875058 580040457 /nfs/dbraw/zinc/04/04/57/580040457.db2.gz KYZKQWHSPMLGSY-UHFFFAOYSA-N 2 2 328.416 1.458 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C3(C)OCCO3)CC2)CC1 ZINC000760900023 580040878 /nfs/dbraw/zinc/04/08/78/580040878.db2.gz TUNXWIDKFRLSIP-HNNXBMFYSA-N 2 2 339.480 1.014 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000737044190 579043074 /nfs/dbraw/zinc/04/30/74/579043074.db2.gz MFTBDLGANISICS-HZPDHXFCSA-N 2 2 349.479 1.513 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000737044190 579043075 /nfs/dbraw/zinc/04/30/75/579043075.db2.gz MFTBDLGANISICS-HZPDHXFCSA-N 2 2 349.479 1.513 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](c4cccs4)C3=O)C2)CC1 ZINC000761307678 580054583 /nfs/dbraw/zinc/05/45/83/580054583.db2.gz ZPUZEOSIWBSJLV-ZFWWWQNUSA-N 2 2 348.472 1.510 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](c4cccs4)C3=O)C2)CC1 ZINC000761307678 580054584 /nfs/dbraw/zinc/05/45/84/580054584.db2.gz ZPUZEOSIWBSJLV-ZFWWWQNUSA-N 2 2 348.472 1.510 20 0 EDADLP CC[C@@H](C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1)[NH+](CC)CC ZINC000746303705 579586014 /nfs/dbraw/zinc/58/60/14/579586014.db2.gz RUURZGCNITZNHX-KBPBESRZSA-N 2 2 326.510 1.742 20 0 EDADLP O=C(OCC[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000747700642 579654662 /nfs/dbraw/zinc/65/46/62/579654662.db2.gz LFNFIBDNSDUUPL-GOSISDBHSA-N 2 2 332.444 1.774 20 0 EDADLP O=C(OCC[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000747700642 579654664 /nfs/dbraw/zinc/65/46/64/579654664.db2.gz LFNFIBDNSDUUPL-GOSISDBHSA-N 2 2 332.444 1.774 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000748971641 579708850 /nfs/dbraw/zinc/70/88/50/579708850.db2.gz TYIZFYLICIJCKL-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000748971641 579708853 /nfs/dbraw/zinc/70/88/53/579708853.db2.gz TYIZFYLICIJCKL-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000748971641 579708855 /nfs/dbraw/zinc/70/88/55/579708855.db2.gz TYIZFYLICIJCKL-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000748971641 579708857 /nfs/dbraw/zinc/70/88/57/579708857.db2.gz TYIZFYLICIJCKL-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1ccc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c(N(C)C)[nH+]1 ZINC000750425824 579763738 /nfs/dbraw/zinc/76/37/38/579763738.db2.gz XYGUXQNFZIZZNC-UHFFFAOYSA-N 2 2 335.452 1.688 20 0 EDADLP Cc1ccc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)c(N(C)C)[nH+]1 ZINC000750425824 579763739 /nfs/dbraw/zinc/76/37/39/579763739.db2.gz XYGUXQNFZIZZNC-UHFFFAOYSA-N 2 2 335.452 1.688 20 0 EDADLP CCC(CC)[C@@H](C(=O)OCCC[NH+]1CCOCC1)[NH+]1CCOCC1 ZINC000750897184 579786457 /nfs/dbraw/zinc/78/64/57/579786457.db2.gz XIOTWHDDJLYNLK-KRWDZBQOSA-N 2 2 342.480 1.389 20 0 EDADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000752831387 579866715 /nfs/dbraw/zinc/86/67/15/579866715.db2.gz JTLREILKVBQFFZ-INMHGKMJSA-N 2 2 345.491 1.221 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000755790548 579935286 /nfs/dbraw/zinc/93/52/86/579935286.db2.gz MWEWYAWDWKTFOK-GJZGRUSLSA-N 2 2 325.416 1.578 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000755790548 579935287 /nfs/dbraw/zinc/93/52/87/579935287.db2.gz MWEWYAWDWKTFOK-GJZGRUSLSA-N 2 2 325.416 1.578 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000756699132 579955330 /nfs/dbraw/zinc/95/53/30/579955330.db2.gz SBDYRXFZVDTUHU-NVXWUHKLSA-N 2 2 338.496 1.080 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000756699132 579955331 /nfs/dbraw/zinc/95/53/31/579955331.db2.gz SBDYRXFZVDTUHU-NVXWUHKLSA-N 2 2 338.496 1.080 20 0 EDADLP Cc1cccc(F)c1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000761971076 580064505 /nfs/dbraw/zinc/06/45/05/580064505.db2.gz WIROKZGXQDTRBM-UHFFFAOYSA-N 2 2 329.423 1.966 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(CN3C[C@@H](C4CC4)CC3=O)CC2)CC1 ZINC000762505531 580076276 /nfs/dbraw/zinc/07/62/76/580076276.db2.gz YKSZQCWTQHXPEY-SFHVURJKSA-N 2 2 348.535 1.693 20 0 EDADLP CC(C)[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000763342854 580098116 /nfs/dbraw/zinc/09/81/16/580098116.db2.gz XRTXVRDVXCBFKB-KSZLIROESA-N 2 2 336.524 1.406 20 0 EDADLP CC(C)[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000763342854 580098117 /nfs/dbraw/zinc/09/81/17/580098117.db2.gz XRTXVRDVXCBFKB-KSZLIROESA-N 2 2 336.524 1.406 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000765790596 580151470 /nfs/dbraw/zinc/15/14/70/580151470.db2.gz GJJXZJSWMWYJCZ-MANSERQUSA-N 3 2 339.524 1.576 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000765790596 580151471 /nfs/dbraw/zinc/15/14/71/580151471.db2.gz GJJXZJSWMWYJCZ-MANSERQUSA-N 3 2 339.524 1.576 20 0 EDADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000765790596 580151472 /nfs/dbraw/zinc/15/14/72/580151472.db2.gz GJJXZJSWMWYJCZ-MANSERQUSA-N 3 2 339.524 1.576 20 0 EDADLP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000765790596 580151473 /nfs/dbraw/zinc/15/14/73/580151473.db2.gz GJJXZJSWMWYJCZ-MANSERQUSA-N 3 2 339.524 1.576 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000766116119 580159542 /nfs/dbraw/zinc/15/95/42/580159542.db2.gz HMLRQIMQRCTQRO-NWDGAFQWSA-N 2 2 330.354 1.968 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000766116119 580159543 /nfs/dbraw/zinc/15/95/43/580159543.db2.gz HMLRQIMQRCTQRO-NWDGAFQWSA-N 2 2 330.354 1.968 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000768501102 580214793 /nfs/dbraw/zinc/21/47/93/580214793.db2.gz TZNYPFXMLPEQDX-CKEIUWERSA-N 2 2 337.489 1.242 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000768501102 580214794 /nfs/dbraw/zinc/21/47/94/580214794.db2.gz TZNYPFXMLPEQDX-CKEIUWERSA-N 2 2 337.489 1.242 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000768501102 580214795 /nfs/dbraw/zinc/21/47/95/580214795.db2.gz TZNYPFXMLPEQDX-CKEIUWERSA-N 2 2 337.489 1.242 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)C[C@@]3(CCSC3)C2=O)C1 ZINC000768501102 580214796 /nfs/dbraw/zinc/21/47/96/580214796.db2.gz TZNYPFXMLPEQDX-CKEIUWERSA-N 2 2 337.489 1.242 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000769317731 580233495 /nfs/dbraw/zinc/23/34/95/580233495.db2.gz XADWKTVCXQFXHM-UHFFFAOYSA-N 2 2 329.444 1.457 20 0 EDADLP Cn1ncc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C1CC1 ZINC000771227556 580282840 /nfs/dbraw/zinc/28/28/40/580282840.db2.gz JMIUDLMOAMKTKM-UHFFFAOYSA-N 2 2 334.468 1.445 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c(N(C)C)[nH+]1 ZINC000774490973 580363455 /nfs/dbraw/zinc/36/34/55/580363455.db2.gz OFVUFEKAQWLSCA-UHFFFAOYSA-N 2 2 347.463 1.384 20 0 EDADLP COCCOC[C@H](C)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000776221360 580411694 /nfs/dbraw/zinc/41/16/94/580411694.db2.gz VWSPORWSPHEDRG-KRWDZBQOSA-N 2 2 328.497 1.910 20 0 EDADLP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000782074885 580565638 /nfs/dbraw/zinc/56/56/38/580565638.db2.gz AWHLBCSZSIJHRK-CABCVRRESA-N 2 2 343.265 1.529 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CCC1 ZINC000782549989 580577400 /nfs/dbraw/zinc/57/74/00/580577400.db2.gz MORZWJKBFIPCHW-UHFFFAOYSA-N 2 2 328.420 1.551 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000783648812 580603444 /nfs/dbraw/zinc/60/34/44/580603444.db2.gz DMQOKBWWWJPWIM-CYBMUJFWSA-N 2 2 333.423 1.143 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000783648812 580603445 /nfs/dbraw/zinc/60/34/45/580603445.db2.gz DMQOKBWWWJPWIM-CYBMUJFWSA-N 2 2 333.423 1.143 20 0 EDADLP C[NH+](C)C1CC[NH+]([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)CC1 ZINC000787705064 580702392 /nfs/dbraw/zinc/70/23/92/580702392.db2.gz JFAWQZCVPVVETP-CRAIPNDOSA-N 2 2 341.496 1.773 20 0 EDADLP CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796708846 580960258 /nfs/dbraw/zinc/96/02/58/580960258.db2.gz SMFQYOJHRYZVGF-HOTGVXAUSA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796708846 580960259 /nfs/dbraw/zinc/96/02/59/580960259.db2.gz SMFQYOJHRYZVGF-HOTGVXAUSA-N 2 2 327.469 1.432 20 0 EDADLP CN(C(=O)c1cn2c(n1)CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000799628750 581033181 /nfs/dbraw/zinc/03/31/81/581033181.db2.gz KFPDRHGJUSQPRW-INIZCTEOSA-N 2 2 345.491 1.460 20 0 EDADLP CN(C(=O)c1cn2c(n1)CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000799628750 581033182 /nfs/dbraw/zinc/03/31/82/581033182.db2.gz KFPDRHGJUSQPRW-INIZCTEOSA-N 2 2 345.491 1.460 20 0 EDADLP Cc1cc(C)nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000801091217 581065316 /nfs/dbraw/zinc/06/53/16/581065316.db2.gz VRZWUMMSZNUTKJ-UHFFFAOYSA-N 2 2 330.476 1.987 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000801410037 581075377 /nfs/dbraw/zinc/07/53/77/581075377.db2.gz MEFPKOUMOVUVRP-MRXNPFEDSA-N 2 2 337.851 1.535 20 0 EDADLP C[C@]1(Br)C[C@H]1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000891927748 590692097 /nfs/dbraw/zinc/69/20/97/590692097.db2.gz VWKKPYSUCOVWSL-ZFWWWQNUSA-N 2 2 344.297 1.400 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000892056478 590776256 /nfs/dbraw/zinc/77/62/56/590776256.db2.gz SMBIWMBMOAPPFJ-DOTOQJQBSA-N 2 2 334.464 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000892056478 590776259 /nfs/dbraw/zinc/77/62/59/590776259.db2.gz SMBIWMBMOAPPFJ-DOTOQJQBSA-N 2 2 334.464 1.232 20 0 EDADLP CC(=O)OC[C@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000893380503 590820687 /nfs/dbraw/zinc/82/06/87/590820687.db2.gz YIRIZGXFNZTCHQ-ZDUSSCGKSA-N 2 2 346.431 1.801 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000892176895 590846552 /nfs/dbraw/zinc/84/65/52/590846552.db2.gz YQUKKXQQBBUXEH-IBGZPJMESA-N 2 2 342.487 1.699 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000892176895 590846554 /nfs/dbraw/zinc/84/65/54/590846554.db2.gz YQUKKXQQBBUXEH-IBGZPJMESA-N 2 2 342.487 1.699 20 0 EDADLP C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000891006950 590908943 /nfs/dbraw/zinc/90/89/43/590908943.db2.gz BXIAGXYORGSTCZ-UHFFFAOYSA-N 2 2 341.415 1.363 20 0 EDADLP C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1(C)C ZINC000891006950 590908946 /nfs/dbraw/zinc/90/89/46/590908946.db2.gz BXIAGXYORGSTCZ-UHFFFAOYSA-N 2 2 341.415 1.363 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000909397161 590941966 /nfs/dbraw/zinc/94/19/66/590941966.db2.gz OGPFJXQLFCHPGI-IRXDYDNUSA-N 2 2 336.524 1.536 20 0 EDADLP CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000909397161 590941967 /nfs/dbraw/zinc/94/19/67/590941967.db2.gz OGPFJXQLFCHPGI-IRXDYDNUSA-N 2 2 336.524 1.536 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000893686546 591046346 /nfs/dbraw/zinc/04/63/46/591046346.db2.gz HJLGYVVTPKUFFE-UHFFFAOYSA-N 2 2 341.496 1.869 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893697858 591051438 /nfs/dbraw/zinc/05/14/38/591051438.db2.gz WYDOLUUFYYWJAQ-HZPDHXFCSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893697858 591051442 /nfs/dbraw/zinc/05/14/42/591051442.db2.gz WYDOLUUFYYWJAQ-HZPDHXFCSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891344844 591052103 /nfs/dbraw/zinc/05/21/03/591052103.db2.gz OOCMKKJNPAKZGH-GJZGRUSLSA-N 2 2 326.404 1.303 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891348071 591053866 /nfs/dbraw/zinc/05/38/66/591053866.db2.gz NQOANUUODPPIPD-LBPRGKRZSA-N 2 2 327.379 1.192 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@H]1C(F)(F)F ZINC000891363131 591060732 /nfs/dbraw/zinc/06/07/32/591060732.db2.gz FGFYJVGQNQZMOB-NWDGAFQWSA-N 2 2 345.369 1.662 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nccn3C3CC3)cn2)CC1 ZINC000892531797 591062368 /nfs/dbraw/zinc/06/23/68/591062368.db2.gz CWDDMOAZOZYGNB-UHFFFAOYSA-N 2 2 326.448 1.655 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562758 591072961 /nfs/dbraw/zinc/07/29/61/591072961.db2.gz KRIFFFMNVAWMRU-HOTGVXAUSA-N 2 2 340.431 1.645 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562758 591072968 /nfs/dbraw/zinc/07/29/68/591072968.db2.gz KRIFFFMNVAWMRU-HOTGVXAUSA-N 2 2 340.431 1.645 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)c1 ZINC000892565365 591075058 /nfs/dbraw/zinc/07/50/58/591075058.db2.gz JKUPZMVAFFENDR-KZNAEPCWSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)c1 ZINC000892565365 591075063 /nfs/dbraw/zinc/07/50/63/591075063.db2.gz JKUPZMVAFFENDR-KZNAEPCWSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000892610186 591094439 /nfs/dbraw/zinc/09/44/39/591094439.db2.gz ANQWVPMOHMHCNE-PKOBYXMFSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@]3(C)CC[NH2+]C3)C2)cc1 ZINC000892610186 591094442 /nfs/dbraw/zinc/09/44/42/591094442.db2.gz ANQWVPMOHMHCNE-PKOBYXMFSA-N 2 2 346.475 1.247 20 0 EDADLP C[NH2+]CCN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000892610651 591095142 /nfs/dbraw/zinc/09/51/42/591095142.db2.gz FHOOEHSUGDXZHR-KRWDZBQOSA-N 2 2 334.464 1.057 20 0 EDADLP C[NH2+]CCN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000892610651 591095146 /nfs/dbraw/zinc/09/51/46/591095146.db2.gz FHOOEHSUGDXZHR-KRWDZBQOSA-N 2 2 334.464 1.057 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3C[C@@H]([NH3+])C[C@@H]3C)C2)cc1 ZINC000892612266 591096128 /nfs/dbraw/zinc/09/61/28/591096128.db2.gz VDNYMXLHYLXATG-RYQLBKOJSA-N 2 2 346.475 1.327 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3C[C@@H]([NH3+])C[C@@H]3C)C2)cc1 ZINC000892612266 591096132 /nfs/dbraw/zinc/09/61/32/591096132.db2.gz VDNYMXLHYLXATG-RYQLBKOJSA-N 2 2 346.475 1.327 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N3C[C@@H]([NH3+])C[C@H]3C)C2)cc1 ZINC000892612263 591096349 /nfs/dbraw/zinc/09/63/49/591096349.db2.gz VDNYMXLHYLXATG-BPQIPLTHSA-N 2 2 346.475 1.327 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N3C[C@@H]([NH3+])C[C@H]3C)C2)cc1 ZINC000892612263 591096356 /nfs/dbraw/zinc/09/63/56/591096356.db2.gz VDNYMXLHYLXATG-BPQIPLTHSA-N 2 2 346.475 1.327 20 0 EDADLP CN(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000893901808 591129451 /nfs/dbraw/zinc/12/94/51/591129451.db2.gz FGQDNFZKTNVUGV-UHFFFAOYSA-N 2 2 343.374 1.590 20 0 EDADLP CN(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000893901808 591129454 /nfs/dbraw/zinc/12/94/54/591129454.db2.gz FGQDNFZKTNVUGV-UHFFFAOYSA-N 2 2 343.374 1.590 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCCC(C)(C)[NH3+])c1c(F)cccc1F ZINC000891567809 591130439 /nfs/dbraw/zinc/13/04/39/591130439.db2.gz ZUMWKWNYNABJOX-CYBMUJFWSA-N 2 2 328.407 1.994 20 0 EDADLP C[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892723119 591149465 /nfs/dbraw/zinc/14/94/65/591149465.db2.gz ZULWZKBICBARMO-INIZCTEOSA-N 2 2 340.512 1.659 20 0 EDADLP C[N@H+]1CCC[C@H]1CNC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892723119 591149467 /nfs/dbraw/zinc/14/94/67/591149467.db2.gz ZULWZKBICBARMO-INIZCTEOSA-N 2 2 340.512 1.659 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000892756667 591161905 /nfs/dbraw/zinc/16/19/05/591161905.db2.gz DCKFVEFEAFGEAW-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000892756667 591161907 /nfs/dbraw/zinc/16/19/07/591161907.db2.gz DCKFVEFEAFGEAW-INIZCTEOSA-N 2 2 340.512 1.471 20 0 EDADLP Cc1noc2ncc(C[NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc12 ZINC000894014556 591170777 /nfs/dbraw/zinc/17/07/77/591170777.db2.gz MQLXBJWVUFWJLV-INIZCTEOSA-N 2 2 329.448 1.743 20 0 EDADLP Cc1noc2ncc(C[NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc12 ZINC000894014556 591170779 /nfs/dbraw/zinc/17/07/79/591170779.db2.gz MQLXBJWVUFWJLV-INIZCTEOSA-N 2 2 329.448 1.743 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892793418 591177935 /nfs/dbraw/zinc/17/79/35/591177935.db2.gz MHSAGYZUHXUVGU-MRXNPFEDSA-N 2 2 333.480 1.330 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892793418 591177936 /nfs/dbraw/zinc/17/79/36/591177936.db2.gz MHSAGYZUHXUVGU-MRXNPFEDSA-N 2 2 333.480 1.330 20 0 EDADLP CCN(C)C(=O)C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894491596 591325063 /nfs/dbraw/zinc/32/50/63/591325063.db2.gz QGSSMKSTYWZFCS-UHFFFAOYSA-N 2 2 343.374 1.638 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000896044239 591330509 /nfs/dbraw/zinc/33/05/09/591330509.db2.gz XTWUXZYHQDWSSR-MAUKXSAKSA-N 2 2 349.475 1.571 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000896044239 591330513 /nfs/dbraw/zinc/33/05/13/591330513.db2.gz XTWUXZYHQDWSSR-MAUKXSAKSA-N 2 2 349.475 1.571 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000894668286 591381294 /nfs/dbraw/zinc/38/12/94/591381294.db2.gz PEQIVDLANXHXDQ-OWCLPIDISA-N 2 2 341.496 1.726 20 0 EDADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000894668286 591381296 /nfs/dbraw/zinc/38/12/96/591381296.db2.gz PEQIVDLANXHXDQ-OWCLPIDISA-N 2 2 341.496 1.726 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000896203650 591383556 /nfs/dbraw/zinc/38/35/56/591383556.db2.gz FTMLVXMTBQXICS-MAUKXSAKSA-N 2 2 349.475 1.259 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000896491510 591477377 /nfs/dbraw/zinc/47/73/77/591477377.db2.gz RYEKCDTVWTUVGX-CYBMUJFWSA-N 2 2 338.521 1.885 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000896491510 591477379 /nfs/dbraw/zinc/47/73/79/591477379.db2.gz RYEKCDTVWTUVGX-CYBMUJFWSA-N 2 2 338.521 1.885 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000897480421 591485239 /nfs/dbraw/zinc/48/52/39/591485239.db2.gz ZPLHKWBEQLSOTQ-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000897480421 591485245 /nfs/dbraw/zinc/48/52/45/591485245.db2.gz ZPLHKWBEQLSOTQ-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP C[C@H]1CCC[NH+]1CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000897480421 591485248 /nfs/dbraw/zinc/48/52/48/591485248.db2.gz ZPLHKWBEQLSOTQ-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP C[C@H]1CCC[NH+]1CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000897480421 591485253 /nfs/dbraw/zinc/48/52/53/591485253.db2.gz ZPLHKWBEQLSOTQ-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP CS(=O)(=O)C1CC([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)C1 ZINC000898721836 591489270 /nfs/dbraw/zinc/48/92/70/591489270.db2.gz WCBUICXSQVNABG-IDKOKCKLSA-N 2 2 348.266 1.126 20 0 EDADLP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896541880 591505637 /nfs/dbraw/zinc/50/56/37/591505637.db2.gz JCUVUSCTCUKIOV-APWZRJJASA-N 2 2 344.503 1.647 20 0 EDADLP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896541880 591505639 /nfs/dbraw/zinc/50/56/39/591505639.db2.gz JCUVUSCTCUKIOV-APWZRJJASA-N 2 2 344.503 1.647 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C)[N@@H+]1CCc2ccccc2C1 ZINC000896559608 591514699 /nfs/dbraw/zinc/51/46/99/591514699.db2.gz HHDWTSRYCJQFDP-FRQCXROJSA-N 2 2 344.503 1.184 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C)[N@H+]1CCc2ccccc2C1 ZINC000896559608 591514703 /nfs/dbraw/zinc/51/47/03/591514703.db2.gz HHDWTSRYCJQFDP-FRQCXROJSA-N 2 2 344.503 1.184 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C)[NH+]1CCc2ccccc2C1 ZINC000896559608 591514704 /nfs/dbraw/zinc/51/47/04/591514704.db2.gz HHDWTSRYCJQFDP-FRQCXROJSA-N 2 2 344.503 1.184 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCc2ccccc2C1 ZINC000896559608 591514708 /nfs/dbraw/zinc/51/47/08/591514708.db2.gz HHDWTSRYCJQFDP-FRQCXROJSA-N 2 2 344.503 1.184 20 0 EDADLP C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896571630 591532859 /nfs/dbraw/zinc/53/28/59/591532859.db2.gz RARJPZSHJXEMKK-MAUKXSAKSA-N 2 2 341.459 1.296 20 0 EDADLP C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896571630 591532861 /nfs/dbraw/zinc/53/28/61/591532861.db2.gz RARJPZSHJXEMKK-MAUKXSAKSA-N 2 2 341.459 1.296 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000898964614 591618725 /nfs/dbraw/zinc/61/87/25/591618725.db2.gz GQPDEFSKMNBITD-KGLIPLIRSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000898964614 591618726 /nfs/dbraw/zinc/61/87/26/591618726.db2.gz GQPDEFSKMNBITD-KGLIPLIRSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1cccn2c(C[NH2+]CC3(O)CN(C(=O)OC(C)(C)C)C3)c[nH+]c12 ZINC000895209095 591657969 /nfs/dbraw/zinc/65/79/69/591657969.db2.gz YSLPDLWZMXMZQJ-UHFFFAOYSA-N 2 2 346.431 1.714 20 0 EDADLP C[NH+]1CCN(CCOc2ccc(-c3cnc(C[NH3+])nc3)cc2)CC1 ZINC000899323269 591774855 /nfs/dbraw/zinc/77/48/55/591774855.db2.gz FEZJGZIUEMSLQX-UHFFFAOYSA-N 2 2 327.432 1.229 20 0 EDADLP CN1CC[NH+](CCOc2ccc(-c3cnc(C[NH3+])nc3)cc2)CC1 ZINC000899323269 591774857 /nfs/dbraw/zinc/77/48/57/591774857.db2.gz FEZJGZIUEMSLQX-UHFFFAOYSA-N 2 2 327.432 1.229 20 0 EDADLP Cc1cc(-c2cnn(C)c2C[NH3+])ccc1OCC[NH+]1CCOCC1 ZINC000899324713 591775788 /nfs/dbraw/zinc/77/57/88/591775788.db2.gz ZYISBSOAFABFQX-UHFFFAOYSA-N 2 2 330.432 1.565 20 0 EDADLP C[NH+](C)Cc1csc(CNc2nc(N3CCOCC3)cc[nH+]2)n1 ZINC000895484577 591778423 /nfs/dbraw/zinc/77/84/23/591778423.db2.gz NWGWOLUARSSUDJ-UHFFFAOYSA-N 2 2 334.449 1.443 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000897228617 591779038 /nfs/dbraw/zinc/77/90/38/591779038.db2.gz OGEMCEBSKYWCIF-OAHLLOKOSA-N 2 2 343.427 1.126 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000897228617 591779043 /nfs/dbraw/zinc/77/90/43/591779043.db2.gz OGEMCEBSKYWCIF-OAHLLOKOSA-N 2 2 343.427 1.126 20 0 EDADLP C[N@@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H](c2ccccc2)C1 ZINC000895527106 591788943 /nfs/dbraw/zinc/78/89/43/591788943.db2.gz UODKEFRKIXLULC-QZTJIDSGSA-N 2 2 329.444 1.222 20 0 EDADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H](c2ccccc2)C1 ZINC000895527106 591788945 /nfs/dbraw/zinc/78/89/45/591788945.db2.gz UODKEFRKIXLULC-QZTJIDSGSA-N 2 2 329.444 1.222 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cn(Cc3cccnc3)nn2)CCN1c1cc[nH+]cc1 ZINC000895558440 591801325 /nfs/dbraw/zinc/80/13/25/591801325.db2.gz WYKATZBWWHTFDA-MRXNPFEDSA-N 2 2 349.442 1.827 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000900061623 591890705 /nfs/dbraw/zinc/89/07/05/591890705.db2.gz HNEZYNWBCNKUKW-SJLPKXTDSA-N 2 2 328.416 1.003 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000900061623 591890710 /nfs/dbraw/zinc/89/07/10/591890710.db2.gz HNEZYNWBCNKUKW-SJLPKXTDSA-N 2 2 328.416 1.003 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898376767 591899149 /nfs/dbraw/zinc/89/91/49/591899149.db2.gz OHAYKYPZNOBDEO-VQTJNVASSA-N 2 2 346.471 1.912 20 0 EDADLP C[N@H+](CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000900158890 591920728 /nfs/dbraw/zinc/92/07/28/591920728.db2.gz UCGLPTQWMNCBSU-UHFFFAOYSA-N 2 2 344.459 1.497 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000900158890 591920731 /nfs/dbraw/zinc/92/07/31/591920731.db2.gz UCGLPTQWMNCBSU-UHFFFAOYSA-N 2 2 344.459 1.497 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186296 591935261 /nfs/dbraw/zinc/93/52/61/591935261.db2.gz RTPUGJUXDGEEIR-VRCAPQLRSA-N 2 2 345.487 1.781 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186296 591935264 /nfs/dbraw/zinc/93/52/64/591935264.db2.gz RTPUGJUXDGEEIR-VRCAPQLRSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186296 591935268 /nfs/dbraw/zinc/93/52/68/591935268.db2.gz RTPUGJUXDGEEIR-VRCAPQLRSA-N 2 2 345.487 1.781 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3=O)CC[C@@H]21 ZINC000902186296 591935270 /nfs/dbraw/zinc/93/52/70/591935270.db2.gz RTPUGJUXDGEEIR-VRCAPQLRSA-N 2 2 345.487 1.781 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+]1CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C1)C2=O ZINC000902193506 591941741 /nfs/dbraw/zinc/94/17/41/591941741.db2.gz ARBSGVMTBCRZDT-JWWIWJDOSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[N@H+]1CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C1)C2=O ZINC000902193506 591941742 /nfs/dbraw/zinc/94/17/42/591941742.db2.gz ARBSGVMTBCRZDT-JWWIWJDOSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)C2=O ZINC000902193506 591941743 /nfs/dbraw/zinc/94/17/43/591941743.db2.gz ARBSGVMTBCRZDT-JWWIWJDOSA-N 2 2 345.487 1.924 20 0 EDADLP CC(C)[C@]12C[C@H]1C(=O)N(C[NH+]1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2=O ZINC000902193506 591941744 /nfs/dbraw/zinc/94/17/44/591941744.db2.gz ARBSGVMTBCRZDT-JWWIWJDOSA-N 2 2 345.487 1.924 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000899810519 591947104 /nfs/dbraw/zinc/94/71/04/591947104.db2.gz RKDXYNKLZXEJJX-HNNXBMFYSA-N 2 2 332.448 1.230 20 0 EDADLP COc1cn(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c(C)cc1=O ZINC000902249705 591960506 /nfs/dbraw/zinc/96/05/06/591960506.db2.gz RYDNZAVWHYRUFJ-UHFFFAOYSA-N 2 2 328.416 1.648 20 0 EDADLP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]CCC[NH+]1CCOCC1 ZINC000899856307 591964128 /nfs/dbraw/zinc/96/41/28/591964128.db2.gz RMKYUVZZNIEJSP-FUHWJXTLSA-N 2 2 342.480 1.173 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CN1C[C@]2(CCCOC2)C1=O ZINC000902377919 591984168 /nfs/dbraw/zinc/98/41/68/591984168.db2.gz UESCSNYMDHJQQT-QAPCUYQASA-N 2 2 330.432 1.189 20 0 EDADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CN1C[C@]2(CCCOC2)C1=O ZINC000902377919 591984172 /nfs/dbraw/zinc/98/41/72/591984172.db2.gz UESCSNYMDHJQQT-QAPCUYQASA-N 2 2 330.432 1.189 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900340783 591989694 /nfs/dbraw/zinc/98/96/94/591989694.db2.gz UVKNMQIDOCDBEP-MRXNPFEDSA-N 2 2 334.464 1.525 20 0 EDADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000902436623 591995334 /nfs/dbraw/zinc/99/53/34/591995334.db2.gz CVWCNORLGSWRCI-NXOUGTEYSA-N 2 2 345.468 1.870 20 0 EDADLP C[N@H+](CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CC1 ZINC000900367211 591998279 /nfs/dbraw/zinc/99/82/79/591998279.db2.gz MXIFKXRWWKXKED-UHFFFAOYSA-N 2 2 327.432 1.819 20 0 EDADLP C[N@@H+](CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CC1 ZINC000900367211 591998281 /nfs/dbraw/zinc/99/82/81/591998281.db2.gz MXIFKXRWWKXKED-UHFFFAOYSA-N 2 2 327.432 1.819 20 0 EDADLP Brc1ccc2[nH+]ccc(N3CC[NH2+]CC[NH2+]CC3)c2c1 ZINC000900370215 591999445 /nfs/dbraw/zinc/99/94/45/591999445.db2.gz XVGXEJVCFIHYJO-UHFFFAOYSA-N 3 2 335.249 1.997 20 0 EDADLP CCc1ccc2[nH+]ccc(N3CC[NH2+][C@@H]4CS(=O)(=O)C[C@@H]43)c2c1 ZINC000900393452 592005633 /nfs/dbraw/zinc/00/56/33/592005633.db2.gz IGKSRKJTHSMELS-WBVHZDCISA-N 2 2 331.441 1.372 20 0 EDADLP O=S1(=O)C[C@H]2[C@@H](C1)[NH2+]CCN2c1cc[nH+]c2c(Cl)cccc12 ZINC000900394822 592006045 /nfs/dbraw/zinc/00/60/45/592006045.db2.gz RJJPSYDQHVTXHM-OCCSQVGLSA-N 2 2 337.832 1.463 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900410411 592010676 /nfs/dbraw/zinc/01/06/76/592010676.db2.gz SWGLLZCOTUPZEZ-HOTGVXAUSA-N 2 2 325.416 1.900 20 0 EDADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900410411 592010679 /nfs/dbraw/zinc/01/06/79/592010679.db2.gz SWGLLZCOTUPZEZ-HOTGVXAUSA-N 2 2 325.416 1.900 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CCCN2c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000900419050 592013902 /nfs/dbraw/zinc/01/39/02/592013902.db2.gz QGXRVMHHWVVFGJ-RLFYNMQTSA-N 2 2 331.464 1.536 20 0 EDADLP Cc1ccc(O)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900446607 592020100 /nfs/dbraw/zinc/02/01/00/592020100.db2.gz PZIGGLBKVZDDSE-UHFFFAOYSA-N 2 2 331.460 1.989 20 0 EDADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000900477335 592029155 /nfs/dbraw/zinc/02/91/55/592029155.db2.gz CFSIWMYJBJKQIH-KUHUBIRLSA-N 2 2 348.491 1.458 20 0 EDADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000900478444 592029476 /nfs/dbraw/zinc/02/94/76/592029476.db2.gz LXLFWJODLCPQJS-JCGVRSQUSA-N 2 2 334.464 1.067 20 0 EDADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000900478444 592029479 /nfs/dbraw/zinc/02/94/79/592029479.db2.gz LXLFWJODLCPQJS-JCGVRSQUSA-N 2 2 334.464 1.067 20 0 EDADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000900475007 592035384 /nfs/dbraw/zinc/03/53/84/592035384.db2.gz XHPYZMQOUDAOEF-ZDUSSCGKSA-N 2 2 345.422 1.721 20 0 EDADLP CCCn1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000902785280 592058857 /nfs/dbraw/zinc/05/88/57/592058857.db2.gz CRYSKOWMGAWTMG-ZBFHGGJFSA-N 2 2 336.484 1.281 20 0 EDADLP CCCn1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000902785280 592058860 /nfs/dbraw/zinc/05/88/60/592058860.db2.gz CRYSKOWMGAWTMG-ZBFHGGJFSA-N 2 2 336.484 1.281 20 0 EDADLP CC[NH2+]Cc1ccn(Cc2cn(Cc3cc(C)cc(C)[nH+]3)nn2)n1 ZINC000900621374 592073589 /nfs/dbraw/zinc/07/35/89/592073589.db2.gz HRTYFPGAISHEAK-UHFFFAOYSA-N 2 2 325.420 1.693 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)nc[nH+]1 ZINC000902862319 592077203 /nfs/dbraw/zinc/07/72/03/592077203.db2.gz YYKJWVWAKKXKJN-HSGSIZQLSA-N 2 2 343.475 1.890 20 0 EDADLP COCCNC(=O)C1([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903016348 592096838 /nfs/dbraw/zinc/09/68/38/592096838.db2.gz FMEFIIUIWRADDI-AWEZNQCLSA-N 2 2 328.416 1.818 20 0 EDADLP CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000903089046 592118282 /nfs/dbraw/zinc/11/82/82/592118282.db2.gz PPIRHQJVJQSSSW-CEXWTWQISA-N 2 2 339.524 1.720 20 0 EDADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903099109 592120272 /nfs/dbraw/zinc/12/02/72/592120272.db2.gz BYVDYRMCUFBADC-LSDHHAIUSA-N 2 2 341.496 1.990 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cnn(CC2CCC2)c1 ZINC000903206289 592137932 /nfs/dbraw/zinc/13/79/32/592137932.db2.gz QONYLUCRTGUBAE-YOEHRIQHSA-N 2 2 333.480 1.674 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnn(CC2CCC2)c1 ZINC000903206289 592137935 /nfs/dbraw/zinc/13/79/35/592137935.db2.gz QONYLUCRTGUBAE-YOEHRIQHSA-N 2 2 333.480 1.674 20 0 EDADLP C/C(=C\C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000900851415 592147348 /nfs/dbraw/zinc/14/73/48/592147348.db2.gz BWJHZJXSLPRFBD-KJCUYJGMSA-N 2 2 335.492 1.599 20 0 EDADLP C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883307 592156521 /nfs/dbraw/zinc/15/65/21/592156521.db2.gz QQTHFDVUTAJSJK-KXBFYZLASA-N 2 2 342.443 1.896 20 0 EDADLP C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883307 592156525 /nfs/dbraw/zinc/15/65/25/592156525.db2.gz QQTHFDVUTAJSJK-KXBFYZLASA-N 2 2 342.443 1.896 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000903468895 592174748 /nfs/dbraw/zinc/17/47/48/592174748.db2.gz PCPHQDQYJAUDHX-SUMWQHHRSA-N 2 2 347.459 1.583 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCc2[nH]c3ccccc3c2C1 ZINC000903468689 592174840 /nfs/dbraw/zinc/17/48/40/592174840.db2.gz NQHMBMLCAMYIFI-SFHVURJKSA-N 2 2 338.455 1.927 20 0 EDADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000903481121 592177069 /nfs/dbraw/zinc/17/70/69/592177069.db2.gz VMTVLSXNWCRGIL-GFPRJFBKSA-N 3 2 339.281 1.890 20 0 EDADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000903481121 592177070 /nfs/dbraw/zinc/17/70/70/592177070.db2.gz VMTVLSXNWCRGIL-GFPRJFBKSA-N 3 2 339.281 1.890 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484836 592177676 /nfs/dbraw/zinc/17/76/76/592177676.db2.gz WKVGUHHYJYSOEW-CABCVRRESA-N 2 2 337.464 1.195 20 0 EDADLP COc1ccc(CCNC(=O)C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000903466581 592178625 /nfs/dbraw/zinc/17/86/25/592178625.db2.gz WNVLYAHCMXYSCO-KRWDZBQOSA-N 2 2 347.459 1.237 20 0 EDADLP C[C@H]1C[N@@H+]([C@@H](CNC(=O)C23CC[NH+](CC2)C3)c2cccs2)CCO1 ZINC000900939879 592180038 /nfs/dbraw/zinc/18/00/38/592180038.db2.gz BHKKKGVQYTVZDY-GJZGRUSLSA-N 2 2 349.500 1.722 20 0 EDADLP C[C@H]1C[N@H+]([C@@H](CNC(=O)C23CC[NH+](CC2)C3)c2cccs2)CCO1 ZINC000900939879 592180041 /nfs/dbraw/zinc/18/00/41/592180041.db2.gz BHKKKGVQYTVZDY-GJZGRUSLSA-N 2 2 349.500 1.722 20 0 EDADLP Cc1[nH]c(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[nH+]c1C ZINC000900999130 592201798 /nfs/dbraw/zinc/20/17/98/592201798.db2.gz XSOZMHTUZYBBKZ-UHFFFAOYSA-N 2 2 328.420 1.103 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N(C)[C@H]3CC[NH+](C4CC4)C3)co2)C1 ZINC000906650265 592234587 /nfs/dbraw/zinc/23/45/87/592234587.db2.gz GYFNDEDVAFTPGL-GJZGRUSLSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N(C)[C@H]3CC[NH+](C4CC4)C3)co2)C1 ZINC000906650265 592234591 /nfs/dbraw/zinc/23/45/91/592234591.db2.gz GYFNDEDVAFTPGL-GJZGRUSLSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)co2)C1 ZINC000906650265 592234594 /nfs/dbraw/zinc/23/45/94/592234594.db2.gz GYFNDEDVAFTPGL-GJZGRUSLSA-N 2 2 348.447 1.204 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)co2)C1 ZINC000906650265 592234596 /nfs/dbraw/zinc/23/45/96/592234596.db2.gz GYFNDEDVAFTPGL-GJZGRUSLSA-N 2 2 348.447 1.204 20 0 EDADLP [NH3+][C@@]1(CO)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000904402756 592249426 /nfs/dbraw/zinc/24/94/26/592249426.db2.gz ZWRHIJNVOJAROG-IBGZPJMESA-N 3 2 333.476 1.447 20 0 EDADLP [NH3+][C@@]1(CO)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000904402756 592249430 /nfs/dbraw/zinc/24/94/30/592249430.db2.gz ZWRHIJNVOJAROG-IBGZPJMESA-N 3 2 333.476 1.447 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000901136944 592254527 /nfs/dbraw/zinc/25/45/27/592254527.db2.gz FUABVGIKVUHJGR-SFHVURJKSA-N 2 2 348.447 1.012 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901136944 592254531 /nfs/dbraw/zinc/25/45/31/592254531.db2.gz FUABVGIKVUHJGR-SFHVURJKSA-N 2 2 348.447 1.012 20 0 EDADLP CCOc1cccc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)n1 ZINC000904451954 592264689 /nfs/dbraw/zinc/26/46/89/592264689.db2.gz FHBHKZKVWKHWKI-INIZCTEOSA-N 2 2 328.416 1.906 20 0 EDADLP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000901206693 592286419 /nfs/dbraw/zinc/28/64/19/592286419.db2.gz SRTHPDIKHXEANQ-INIZCTEOSA-N 2 2 333.480 1.152 20 0 EDADLP c1cn(-c2ncccc2-c2noc([C@]34C[NH2+]C[C@H]3CCOC4)n2)c[nH+]1 ZINC000904571515 592289718 /nfs/dbraw/zinc/28/97/18/592289718.db2.gz CYOBWUAALXJAOC-PXAZEXFGSA-N 2 2 338.371 1.195 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000908085515 592293475 /nfs/dbraw/zinc/29/34/75/592293475.db2.gz SWHKDQNXSAPEEE-CQSZACIVSA-N 2 2 348.447 1.111 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000908085515 592293480 /nfs/dbraw/zinc/29/34/80/592293480.db2.gz SWHKDQNXSAPEEE-CQSZACIVSA-N 2 2 348.447 1.111 20 0 EDADLP Cc1sc(C[NH3+])nc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000904645254 592303415 /nfs/dbraw/zinc/30/34/15/592303415.db2.gz VLSKUCMUPFTIJF-QWRGUYRKSA-N 2 2 335.433 1.886 20 0 EDADLP Cc1sc(C[NH3+])nc1-c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000904645254 592303419 /nfs/dbraw/zinc/30/34/19/592303419.db2.gz VLSKUCMUPFTIJF-QWRGUYRKSA-N 2 2 335.433 1.886 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1nc2ccccc2s1 ZINC000903763508 592308179 /nfs/dbraw/zinc/30/81/79/592308179.db2.gz LEBYIZQRTOSJPE-VXGBXAGGSA-N 2 2 339.486 1.930 20 0 EDADLP [NH3+]C[C@@H]1C[C@@H](c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CO1 ZINC000904673211 592310592 /nfs/dbraw/zinc/31/05/92/592310592.db2.gz POFWAJAUQDCPRN-PMPSAXMXSA-N 2 2 344.415 1.474 20 0 EDADLP [NH3+]C[C@@H]1C[C@@H](c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CO1 ZINC000904673211 592310597 /nfs/dbraw/zinc/31/05/97/592310597.db2.gz POFWAJAUQDCPRN-PMPSAXMXSA-N 2 2 344.415 1.474 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815684 592324046 /nfs/dbraw/zinc/32/40/46/592324046.db2.gz PKWIIGPVZAJLGX-INIZCTEOSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815684 592324049 /nfs/dbraw/zinc/32/40/49/592324049.db2.gz PKWIIGPVZAJLGX-INIZCTEOSA-N 2 2 325.497 1.724 20 0 EDADLP CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903814747 592324491 /nfs/dbraw/zinc/32/44/91/592324491.db2.gz IRPVMFSRHMLNCQ-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP CN(CC1CCCCC1)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903814747 592324496 /nfs/dbraw/zinc/32/44/96/592324496.db2.gz IRPVMFSRHMLNCQ-UHFFFAOYSA-N 2 2 337.508 1.870 20 0 EDADLP [NH3+]C[C@]12CC[C@@H]1CCN2CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000903855395 592347228 /nfs/dbraw/zinc/34/72/28/592347228.db2.gz MOYDFADOBDFLLR-CRAIPNDOSA-N 2 2 348.516 1.206 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903891474 592352718 /nfs/dbraw/zinc/35/27/18/592352718.db2.gz ARTCAZNJIXMPGQ-JKSUJKDBSA-N 3 2 343.479 1.799 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903891474 592352724 /nfs/dbraw/zinc/35/27/24/592352724.db2.gz ARTCAZNJIXMPGQ-JKSUJKDBSA-N 3 2 343.479 1.799 20 0 EDADLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884748 592362244 /nfs/dbraw/zinc/36/22/44/592362244.db2.gz ACQDLZOMBCBVLZ-GDBMZVCRSA-N 2 2 334.468 1.035 20 0 EDADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903884748 592362249 /nfs/dbraw/zinc/36/22/49/592362249.db2.gz ACQDLZOMBCBVLZ-GDBMZVCRSA-N 2 2 334.468 1.035 20 0 EDADLP O[C@@H]1C[C@H](c2ccc(F)cc2)[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903913335 592375706 /nfs/dbraw/zinc/37/57/06/592375706.db2.gz ONGATQJZVIEVKI-KBAYOESNSA-N 2 2 345.422 1.650 20 0 EDADLP O[C@@H]1C[C@H](c2ccc(F)cc2)[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903913335 592375708 /nfs/dbraw/zinc/37/57/08/592375708.db2.gz ONGATQJZVIEVKI-KBAYOESNSA-N 2 2 345.422 1.650 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000903959103 592389882 /nfs/dbraw/zinc/38/98/82/592389882.db2.gz AKKJNIBVEMSVEM-IBGZPJMESA-N 3 2 344.507 1.194 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000903959103 592389885 /nfs/dbraw/zinc/38/98/85/592389885.db2.gz AKKJNIBVEMSVEM-IBGZPJMESA-N 3 2 344.507 1.194 20 0 EDADLP CCC1([NH+]2CCC2)CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903953175 592393888 /nfs/dbraw/zinc/39/38/88/592393888.db2.gz BRMZGCSHJURADK-KRWDZBQOSA-N 3 2 333.524 1.796 20 0 EDADLP C[C@H]1c2c[nH]nc2CC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000906906017 592397507 /nfs/dbraw/zinc/39/75/07/592397507.db2.gz DZNHEFZRXFSULP-HIFRSBDPSA-N 2 2 333.480 1.218 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c(-c2ccncc2)n1 ZINC000903974906 592398920 /nfs/dbraw/zinc/39/89/20/592398920.db2.gz VBTYEDLOMZBUGK-KRWDZBQOSA-N 2 2 341.459 1.730 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)n1C ZINC000905111181 592411650 /nfs/dbraw/zinc/41/16/50/592411650.db2.gz QIFKSOZSZLRHRJ-SNVBAGLBSA-N 2 2 330.301 1.524 20 0 EDADLP CO[C@@H](C[NH3+])c1nc([C@H]2C[N@H+](Cc3ccccc3)[C@@H](C)CO2)no1 ZINC000904105458 592427544 /nfs/dbraw/zinc/42/75/44/592427544.db2.gz IKJVDKMKUYJODQ-AEGPPILISA-N 2 2 332.404 1.678 20 0 EDADLP CO[C@@H](C[NH3+])c1nc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H](C)CO2)no1 ZINC000904105458 592427547 /nfs/dbraw/zinc/42/75/47/592427547.db2.gz IKJVDKMKUYJODQ-AEGPPILISA-N 2 2 332.404 1.678 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)c1coc(C[NH+]2CC[C@H](O)C2)n1 ZINC000908307292 592444503 /nfs/dbraw/zinc/44/45/03/592444503.db2.gz QEYMKEXXRGVWBX-KBPBESRZSA-N 2 2 338.452 1.091 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1coc(C[NH+]2CC[C@H](O)C2)n1 ZINC000908307292 592444508 /nfs/dbraw/zinc/44/45/08/592444508.db2.gz QEYMKEXXRGVWBX-KBPBESRZSA-N 2 2 338.452 1.091 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000908307292 592444511 /nfs/dbraw/zinc/44/45/11/592444511.db2.gz QEYMKEXXRGVWBX-KBPBESRZSA-N 2 2 338.452 1.091 20 0 EDADLP CCC[NH+](CC)C[C@H](C)NC(=O)c1coc(C[N@H+]2CC[C@H](O)C2)n1 ZINC000908307292 592444516 /nfs/dbraw/zinc/44/45/16/592444516.db2.gz QEYMKEXXRGVWBX-KBPBESRZSA-N 2 2 338.452 1.091 20 0 EDADLP CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901731241 592446882 /nfs/dbraw/zinc/44/68/82/592446882.db2.gz ZOHNHXGIKGIDOH-MNOVXSKESA-N 2 2 343.269 1.855 20 0 EDADLP CN1CCC[C@H]([NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901730851 592447116 /nfs/dbraw/zinc/44/71/16/592447116.db2.gz XZZALXFKDPOSOK-UWVGGRQHSA-N 2 2 327.226 1.171 20 0 EDADLP O[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)COc1ccc2cc[nH]c2c1 ZINC000905216268 592470538 /nfs/dbraw/zinc/47/05/38/592470538.db2.gz CYIICCRMFGKRGA-GJZGRUSLSA-N 2 2 326.400 1.709 20 0 EDADLP CN(C)[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)c1c[nH+]cn1C ZINC000908494822 592509352 /nfs/dbraw/zinc/50/93/52/592509352.db2.gz NPGAAKOAOBOYPO-KRWDZBQOSA-N 2 2 347.507 1.794 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905368642 592517819 /nfs/dbraw/zinc/51/78/19/592517819.db2.gz UTSPEHGWZNLKGB-DLBZAZTESA-N 2 2 347.459 1.344 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905368642 592517821 /nfs/dbraw/zinc/51/78/21/592517821.db2.gz UTSPEHGWZNLKGB-DLBZAZTESA-N 2 2 347.459 1.344 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)c1cccn1CC[NH+]1CCOCC1 ZINC000905635177 592591979 /nfs/dbraw/zinc/59/19/79/592591979.db2.gz YFHIJHXUQUXMSL-UHFFFAOYSA-N 2 2 346.475 1.177 20 0 EDADLP COc1cccc([C@H]2C[NH2+]CCN2c2cc(-n3cc[nH+]c3)ncn2)c1 ZINC000905662530 592600332 /nfs/dbraw/zinc/60/03/32/592600332.db2.gz XGQRYYVVIHXSSC-MRXNPFEDSA-N 2 2 336.399 1.822 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)nc[nH+]1 ZINC000905690742 592605867 /nfs/dbraw/zinc/60/58/67/592605867.db2.gz SAQFYLPHJUWQKW-GJZGRUSLSA-N 2 2 347.463 1.008 20 0 EDADLP O=C1CC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)[C@H](C2CC[NH2+]CC2)N1 ZINC000905711591 592620296 /nfs/dbraw/zinc/62/02/96/592620296.db2.gz IAJVVBMTTFOYDH-DYVFJYSZSA-N 2 2 330.436 1.110 20 0 EDADLP O=C1CC[C@@H](Nc2cc(NC3CC3)nc[nH+]2)[C@H](C2CC[NH2+]CC2)N1 ZINC000905711591 592620297 /nfs/dbraw/zinc/62/02/97/592620297.db2.gz IAJVVBMTTFOYDH-DYVFJYSZSA-N 2 2 330.436 1.110 20 0 EDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(c1cc[nH+]c3c(OC)cccc13)C2 ZINC000905695699 592625510 /nfs/dbraw/zinc/62/55/10/592625510.db2.gz PYMOJRWEIIJFCA-QUJCMNEKSA-N 2 2 341.411 1.960 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000907413186 592638426 /nfs/dbraw/zinc/63/84/26/592638426.db2.gz VCEQWNXVBIHCAP-UKPHBRMFSA-N 2 2 337.489 1.408 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000907413186 592638429 /nfs/dbraw/zinc/63/84/29/592638429.db2.gz VCEQWNXVBIHCAP-UKPHBRMFSA-N 2 2 337.489 1.408 20 0 EDADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)c1ccccc1 ZINC000905876225 592658926 /nfs/dbraw/zinc/65/89/26/592658926.db2.gz JEDJIXZFIJHXBX-IPMKNSEASA-N 2 2 336.476 1.562 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000907808705 592812526 /nfs/dbraw/zinc/81/25/26/592812526.db2.gz VLQWVWKVNXHALW-AWEZNQCLSA-N 2 2 332.448 1.757 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000907808705 592812528 /nfs/dbraw/zinc/81/25/28/592812528.db2.gz VLQWVWKVNXHALW-AWEZNQCLSA-N 2 2 332.448 1.757 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)C1 ZINC000906501706 592842569 /nfs/dbraw/zinc/84/25/69/592842569.db2.gz MYIZJJPEFVKHNE-ZDUSSCGKSA-N 2 2 337.468 1.605 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)C1 ZINC000906501706 592842571 /nfs/dbraw/zinc/84/25/71/592842571.db2.gz MYIZJJPEFVKHNE-ZDUSSCGKSA-N 2 2 337.468 1.605 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000731281971 592923764 /nfs/dbraw/zinc/92/37/64/592923764.db2.gz CYHQIUCSCDLFCG-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000731281971 592923766 /nfs/dbraw/zinc/92/37/66/592923766.db2.gz CYHQIUCSCDLFCG-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000731281971 592923767 /nfs/dbraw/zinc/92/37/67/592923767.db2.gz CYHQIUCSCDLFCG-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000731281971 592923769 /nfs/dbraw/zinc/92/37/69/592923769.db2.gz CYHQIUCSCDLFCG-IRXDYDNUSA-N 2 2 340.512 1.661 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N(CCO)C3CC[NH+](C)CC3)cc2n1C ZINC000911944052 593037238 /nfs/dbraw/zinc/03/72/38/593037238.db2.gz VOCMLODEDMHHFR-UHFFFAOYSA-N 2 2 330.432 1.410 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000912300172 593084218 /nfs/dbraw/zinc/08/42/18/593084218.db2.gz DXZIXPZHYQTRNE-UHFFFAOYSA-N 2 2 336.411 1.831 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COCc3ccccn3)CC2)CC1 ZINC000806709136 593110924 /nfs/dbraw/zinc/11/09/24/593110924.db2.gz GGRLNJJMPJFQDD-UHFFFAOYSA-N 2 2 346.475 1.273 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(F)cn3)CC2)CC1 ZINC000806710999 593110934 /nfs/dbraw/zinc/11/09/34/593110934.db2.gz ZCDAMVWRAHYLSP-UHFFFAOYSA-N 2 2 334.439 1.438 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840085733 593153484 /nfs/dbraw/zinc/15/34/84/593153484.db2.gz GYDJYCFZFRGHRS-IBGZPJMESA-N 2 2 343.475 1.694 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840085733 593153485 /nfs/dbraw/zinc/15/34/85/593153485.db2.gz GYDJYCFZFRGHRS-IBGZPJMESA-N 2 2 343.475 1.694 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840085733 593153486 /nfs/dbraw/zinc/15/34/86/593153486.db2.gz GYDJYCFZFRGHRS-IBGZPJMESA-N 2 2 343.475 1.694 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CN3CCN(Cc4cccnc4)C3=O)C2)C1 ZINC000840085733 593153487 /nfs/dbraw/zinc/15/34/87/593153487.db2.gz GYDJYCFZFRGHRS-IBGZPJMESA-N 2 2 343.475 1.694 20 0 EDADLP Cc1cc(-c2nnn(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)n2)ccc1F ZINC000794635727 593184277 /nfs/dbraw/zinc/18/42/77/593184277.db2.gz GITPIMJZEBTWAX-CQSZACIVSA-N 2 2 341.394 1.968 20 0 EDADLP Cc1cc(-c2nnn(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)n2)ccc1F ZINC000794635727 593184279 /nfs/dbraw/zinc/18/42/79/593184279.db2.gz GITPIMJZEBTWAX-CQSZACIVSA-N 2 2 341.394 1.968 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000839148661 593264653 /nfs/dbraw/zinc/26/46/53/593264653.db2.gz LJFHNRUZYIHLEG-DYVFJYSZSA-N 2 2 337.489 1.557 20 0 EDADLP CCNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000839148661 593264654 /nfs/dbraw/zinc/26/46/54/593264654.db2.gz LJFHNRUZYIHLEG-DYVFJYSZSA-N 2 2 337.489 1.557 20 0 EDADLP C[C@@]1(C2CCCC2)NC(=O)N(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000802731231 593273303 /nfs/dbraw/zinc/27/33/03/593273303.db2.gz JDYMWFWUHDAMKY-SFHVURJKSA-N 2 2 345.447 1.978 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000810218794 593388947 /nfs/dbraw/zinc/38/89/47/593388947.db2.gz BYBTWRPNQXDBDZ-DYVFJYSZSA-N 2 2 337.489 1.785 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000810218794 593388950 /nfs/dbraw/zinc/38/89/50/593388950.db2.gz BYBTWRPNQXDBDZ-DYVFJYSZSA-N 2 2 337.489 1.785 20 0 EDADLP O=C(O[C@@H]1CCC[N@H+](Cc2ncccn2)C1)C1CC[NH+](C2CC2)CC1 ZINC000810737246 593426472 /nfs/dbraw/zinc/42/64/72/593426472.db2.gz GOQGBAMYGIFCMR-QGZVFWFLSA-N 2 2 344.459 1.859 20 0 EDADLP O=C(O[C@@H]1CCC[N@@H+](Cc2ncccn2)C1)C1CC[NH+](C2CC2)CC1 ZINC000810737246 593426473 /nfs/dbraw/zinc/42/64/73/593426473.db2.gz GOQGBAMYGIFCMR-QGZVFWFLSA-N 2 2 344.459 1.859 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000806667465 593463086 /nfs/dbraw/zinc/46/30/86/593463086.db2.gz YSCFDBHGOCFOPP-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000806667465 593463087 /nfs/dbraw/zinc/46/30/87/593463087.db2.gz YSCFDBHGOCFOPP-INIZCTEOSA-N 2 2 326.485 1.225 20 0 EDADLP Cc1ccc(CNC(=O)NCc2c[nH+]cn2C)c(N2CCCC2)[nH+]1 ZINC000811901738 593485648 /nfs/dbraw/zinc/48/56/48/593485648.db2.gz FPDJTJUVZPFRLF-UHFFFAOYSA-N 2 2 328.420 1.723 20 0 EDADLP CC[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC)[NH+](C)C ZINC000840250613 593499707 /nfs/dbraw/zinc/49/97/07/593499707.db2.gz QQAJVRCEXTXGTA-GOEBONIOSA-N 2 2 330.432 1.975 20 0 EDADLP Cn1c2ccc(C[NH+]3CCN([C@H]4CCC[N@H+](C)C4)CC3)cc2oc1=O ZINC000816507150 593528379 /nfs/dbraw/zinc/52/83/79/593528379.db2.gz XSSINKWDRRKCQR-INIZCTEOSA-N 2 2 344.459 1.343 20 0 EDADLP Cn1c2ccc(C[NH+]3CCN([C@H]4CCC[N@@H+](C)C4)CC3)cc2oc1=O ZINC000816507150 593528381 /nfs/dbraw/zinc/52/83/81/593528381.db2.gz XSSINKWDRRKCQR-INIZCTEOSA-N 2 2 344.459 1.343 20 0 EDADLP COc1cccc([C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[NH+]2CCCC2)c1 ZINC000816809200 593551628 /nfs/dbraw/zinc/55/16/28/593551628.db2.gz OMMHCPFAVPLRNL-MRXNPFEDSA-N 2 2 328.416 1.914 20 0 EDADLP O=C1OCC[C@@]12CCC[N@@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817275405 593587171 /nfs/dbraw/zinc/58/71/71/593587171.db2.gz GPULUBMLAOFSBJ-IBGZPJMESA-N 2 2 330.428 1.800 20 0 EDADLP O=C1OCC[C@@]12CCC[N@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817275405 593587172 /nfs/dbraw/zinc/58/71/72/593587172.db2.gz GPULUBMLAOFSBJ-IBGZPJMESA-N 2 2 330.428 1.800 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3CC(F)(F)CC3=O)CC2)CC1 ZINC000817374519 593597969 /nfs/dbraw/zinc/59/79/69/593597969.db2.gz XKTDCLSTBJQWIN-UHFFFAOYSA-N 2 2 344.450 1.304 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(CN3CC(F)(F)CC3=O)CC2)CC1 ZINC000817374519 593597970 /nfs/dbraw/zinc/59/79/70/593597970.db2.gz XKTDCLSTBJQWIN-UHFFFAOYSA-N 2 2 344.450 1.304 20 0 EDADLP Cc1ccc([C@@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000819078181 593737513 /nfs/dbraw/zinc/73/75/13/593737513.db2.gz TUFOBPQDHOTJGS-OALUTQOASA-N 2 2 333.476 1.025 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCc2[nH+]ccn2C1 ZINC000820075345 593788578 /nfs/dbraw/zinc/78/85/78/593788578.db2.gz HTWMFIJTCMGWAF-IMBTUZDBSA-N 2 2 336.439 1.692 20 0 EDADLP O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCc2[nH+]ccn2C1 ZINC000820075345 593788579 /nfs/dbraw/zinc/78/85/79/593788579.db2.gz HTWMFIJTCMGWAF-IMBTUZDBSA-N 2 2 336.439 1.692 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)S1 ZINC000820282912 593806054 /nfs/dbraw/zinc/80/60/54/593806054.db2.gz FWIHGLPGWFJSRS-DZGCQCFKSA-N 2 2 336.505 1.639 20 0 EDADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)CC2)S1 ZINC000820282912 593806055 /nfs/dbraw/zinc/80/60/55/593806055.db2.gz FWIHGLPGWFJSRS-DZGCQCFKSA-N 2 2 336.505 1.639 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000821408483 593828380 /nfs/dbraw/zinc/82/83/80/593828380.db2.gz JFCSLHSYGVBLEE-CABCVRRESA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000821408483 593828382 /nfs/dbraw/zinc/82/83/82/593828382.db2.gz JFCSLHSYGVBLEE-CABCVRRESA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000821408483 593828384 /nfs/dbraw/zinc/82/83/84/593828384.db2.gz JFCSLHSYGVBLEE-CABCVRRESA-N 2 2 329.485 1.677 20 0 EDADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000821408483 593828386 /nfs/dbraw/zinc/82/83/86/593828386.db2.gz JFCSLHSYGVBLEE-CABCVRRESA-N 2 2 329.485 1.677 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821691292 593916668 /nfs/dbraw/zinc/91/66/68/593916668.db2.gz PCKMIFIVIYPRQH-AWEZNQCLSA-N 2 2 346.435 1.076 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821691292 593916670 /nfs/dbraw/zinc/91/66/70/593916670.db2.gz PCKMIFIVIYPRQH-AWEZNQCLSA-N 2 2 346.435 1.076 20 0 EDADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)C[NH+]1CCOCC1 ZINC000824427009 594008765 /nfs/dbraw/zinc/00/87/65/594008765.db2.gz JRNWASJRHPDZFO-OLZOCXBDSA-N 2 2 348.426 1.625 20 0 EDADLP C[C@H]1CC[NH2+][C@@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)C1 ZINC000822916017 594121694 /nfs/dbraw/zinc/12/16/94/594121694.db2.gz VRIFIFDJCROELA-DZGCQCFKSA-N 2 2 342.447 1.944 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COC(F)(F)F)CC2)CC1 ZINC000823113847 594155299 /nfs/dbraw/zinc/15/52/99/594155299.db2.gz ISNFOMSMFSJZAJ-UHFFFAOYSA-N 2 2 337.386 1.541 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COC(F)(F)F)CC2)CC1 ZINC000823113847 594155300 /nfs/dbraw/zinc/15/53/00/594155300.db2.gz ISNFOMSMFSJZAJ-UHFFFAOYSA-N 2 2 337.386 1.541 20 0 EDADLP CO[C@@H]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)Cc3ccc[nH+]c3N2C1 ZINC000825259412 594157131 /nfs/dbraw/zinc/15/71/31/594157131.db2.gz OWVKHXSVSFZLQM-HZPDHXFCSA-N 2 2 330.432 1.113 20 0 EDADLP Cc1c[nH]c(CNC(=O)CCc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC000827582532 594238121 /nfs/dbraw/zinc/23/81/21/594238121.db2.gz NZJUFPWRIFRBHI-UHFFFAOYSA-N 2 2 330.432 1.908 20 0 EDADLP CN(CC1CC[NH+](C)CC1)c1[nH+]c2c(cc1-c1nn[nH]n1)CCCC2 ZINC000826022404 594308461 /nfs/dbraw/zinc/30/84/61/594308461.db2.gz LZYXWRKSLKZWGW-UHFFFAOYSA-N 2 2 341.463 1.919 20 0 EDADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)n1C ZINC000826065082 594322874 /nfs/dbraw/zinc/32/28/74/594322874.db2.gz UFBCLSZFILPZPS-NWDGAFQWSA-N 2 2 330.354 1.571 20 0 EDADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)n1C ZINC000826065082 594322876 /nfs/dbraw/zinc/32/28/76/594322876.db2.gz UFBCLSZFILPZPS-NWDGAFQWSA-N 2 2 330.354 1.571 20 0 EDADLP C[N@H+](CCN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000826135493 594342475 /nfs/dbraw/zinc/34/24/75/594342475.db2.gz KYDNTSPHNMACNC-UHFFFAOYSA-N 2 2 341.459 1.228 20 0 EDADLP C[N@@H+](CCN1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000826135493 594342478 /nfs/dbraw/zinc/34/24/78/594342478.db2.gz KYDNTSPHNMACNC-UHFFFAOYSA-N 2 2 341.459 1.228 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000826273969 594406300 /nfs/dbraw/zinc/40/63/00/594406300.db2.gz BRTGKALIKQEYPI-CQSZACIVSA-N 2 2 327.436 1.738 20 0 EDADLP Cc1cc[nH+]c(N2CC[C@H](C[NH+]3CCCCC3)C2)c1-c1nn[nH]n1 ZINC000826309931 594417602 /nfs/dbraw/zinc/41/76/02/594417602.db2.gz GWIUNBWGCHCYBZ-CQSZACIVSA-N 2 2 327.436 1.882 20 0 EDADLP c1cn(CCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c[nH+]1 ZINC000826513881 594512169 /nfs/dbraw/zinc/51/21/69/594512169.db2.gz ZECIUEWJEAWEAN-INIZCTEOSA-N 2 2 339.403 1.527 20 0 EDADLP c1cn(CCC[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c[nH+]1 ZINC000826513881 594512170 /nfs/dbraw/zinc/51/21/70/594512170.db2.gz ZECIUEWJEAWEAN-INIZCTEOSA-N 2 2 339.403 1.527 20 0 EDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000826513623 594512210 /nfs/dbraw/zinc/51/22/10/594512210.db2.gz QPBXWOMAMNNIOO-MRXNPFEDSA-N 2 2 344.488 1.926 20 0 EDADLP c1cn(CCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c[nH+]1 ZINC000826513882 594512289 /nfs/dbraw/zinc/51/22/89/594512289.db2.gz ZECIUEWJEAWEAN-MRXNPFEDSA-N 2 2 339.403 1.527 20 0 EDADLP c1cn(CCC[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c[nH+]1 ZINC000826513882 594512290 /nfs/dbraw/zinc/51/22/90/594512290.db2.gz ZECIUEWJEAWEAN-MRXNPFEDSA-N 2 2 339.403 1.527 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC000826600204 594536882 /nfs/dbraw/zinc/53/68/82/594536882.db2.gz ZUCKPEDPHZGSPW-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[NH+]2CCO[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC000826600204 594536884 /nfs/dbraw/zinc/53/68/84/594536884.db2.gz ZUCKPEDPHZGSPW-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000826600204 594536887 /nfs/dbraw/zinc/53/68/87/594536887.db2.gz ZUCKPEDPHZGSPW-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)C2)cc1 ZINC000826600204 594536890 /nfs/dbraw/zinc/53/68/90/594536890.db2.gz ZUCKPEDPHZGSPW-OALUTQOASA-N 2 2 345.487 1.796 20 0 EDADLP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166204 594573486 /nfs/dbraw/zinc/57/34/86/594573486.db2.gz SMQVOJDDYYEFKA-DLBZAZTESA-N 2 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1ncc[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166204 594573488 /nfs/dbraw/zinc/57/34/88/594573488.db2.gz SMQVOJDDYYEFKA-DLBZAZTESA-N 2 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000831166204 594573490 /nfs/dbraw/zinc/57/34/90/594573490.db2.gz SMQVOJDDYYEFKA-DLBZAZTESA-N 3 2 347.507 1.748 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000831166204 594573492 /nfs/dbraw/zinc/57/34/92/594573492.db2.gz SMQVOJDDYYEFKA-DLBZAZTESA-N 3 2 347.507 1.748 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC000840964856 594833332 /nfs/dbraw/zinc/83/33/32/594833332.db2.gz WEKOTKWNXUUGAP-IEBWSBKVSA-N 2 2 343.475 1.925 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC000840964856 594833334 /nfs/dbraw/zinc/83/33/34/594833334.db2.gz WEKOTKWNXUUGAP-IEBWSBKVSA-N 2 2 343.475 1.925 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000841205355 594868083 /nfs/dbraw/zinc/86/80/83/594868083.db2.gz MJTQJWWLOHQTDE-SECBINFHSA-N 2 2 332.235 1.682 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)NC[C@@H]([NH3+])C(C)C)c1[nH+]ccn1C ZINC000841669664 594933095 /nfs/dbraw/zinc/93/30/95/594933095.db2.gz PADYCDVIDUXQAY-GDBMZVCRSA-N 2 2 345.447 1.801 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)NC(C)(C)C[NH3+])c1[nH+]ccn1C ZINC000841669556 594933124 /nfs/dbraw/zinc/93/31/24/594933124.db2.gz NJVCDOISXGJIAU-CQSZACIVSA-N 2 2 331.420 1.555 20 0 EDADLP O=C1CC(F)(F)CN1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000841679217 594935246 /nfs/dbraw/zinc/93/52/46/594935246.db2.gz DBMTULXXVGJCCV-UHFFFAOYSA-N 2 2 331.407 1.388 20 0 EDADLP [NH3+]C[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C1CCCC1 ZINC000841692968 594938424 /nfs/dbraw/zinc/93/84/24/594938424.db2.gz ZOFHASRRRXWDBY-HNNXBMFYSA-N 2 2 328.420 1.584 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CC[NH2+]1 ZINC000841838267 594961856 /nfs/dbraw/zinc/96/18/56/594961856.db2.gz UXCWWTQKWVJJNB-OAHLLOKOSA-N 2 2 345.491 1.725 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CCN(c3ccc([NH+](C)C)cc3)CC2)CC[NH2+]1 ZINC000841838267 594961859 /nfs/dbraw/zinc/96/18/59/594961859.db2.gz UXCWWTQKWVJJNB-OAHLLOKOSA-N 2 2 345.491 1.725 20 0 EDADLP Cc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)c(N(C)C)[nH+]1 ZINC000836478723 594967910 /nfs/dbraw/zinc/96/79/10/594967910.db2.gz UMXNYWSOLRUFCH-CQSZACIVSA-N 2 2 335.452 1.424 20 0 EDADLP O=C([O-])N[C@@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000834178523 595041867 /nfs/dbraw/zinc/04/18/67/595041867.db2.gz YTGCXJXPOVHEJE-DLBZAZTESA-N 2 2 347.463 1.372 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843347061 595082309 /nfs/dbraw/zinc/08/23/09/595082309.db2.gz SJRIRBMSNABATI-NEPJUHHUSA-N 2 2 331.420 1.527 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843347061 595082313 /nfs/dbraw/zinc/08/23/13/595082313.db2.gz SJRIRBMSNABATI-NEPJUHHUSA-N 2 2 331.420 1.527 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843363064 595087783 /nfs/dbraw/zinc/08/77/83/595087783.db2.gz MJPNGTLOBIVMMB-GXTWGEPZSA-N 2 2 343.431 1.671 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843363064 595087789 /nfs/dbraw/zinc/08/77/89/595087789.db2.gz MJPNGTLOBIVMMB-GXTWGEPZSA-N 2 2 343.431 1.671 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1[NH3+] ZINC000843377075 595093551 /nfs/dbraw/zinc/09/35/51/595093551.db2.gz JCOVVWYVESKQER-DMDPSCGWSA-N 2 2 331.420 1.655 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1[NH3+] ZINC000843377075 595093555 /nfs/dbraw/zinc/09/35/55/595093555.db2.gz JCOVVWYVESKQER-DMDPSCGWSA-N 2 2 331.420 1.655 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843404668 595102238 /nfs/dbraw/zinc/10/22/38/595102238.db2.gz WVSNHFQFDCMCEA-CABCVRRESA-N 2 2 329.485 1.536 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843404668 595102239 /nfs/dbraw/zinc/10/22/39/595102239.db2.gz WVSNHFQFDCMCEA-CABCVRRESA-N 2 2 329.485 1.536 20 0 EDADLP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)o1 ZINC000842678144 595168013 /nfs/dbraw/zinc/16/80/13/595168013.db2.gz XLSRINRLFINXSX-CVEARBPZSA-N 2 2 330.432 1.941 20 0 EDADLP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)o1 ZINC000842678144 595168016 /nfs/dbraw/zinc/16/80/16/595168016.db2.gz XLSRINRLFINXSX-CVEARBPZSA-N 2 2 330.432 1.941 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)CC[C@@H]21 ZINC000867425405 595246767 /nfs/dbraw/zinc/24/67/67/595246767.db2.gz GLHINUZBWHSZNL-QLFBSQMISA-N 2 2 345.447 1.016 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)CC[C@@H]21 ZINC000867425405 595246771 /nfs/dbraw/zinc/24/67/71/595246771.db2.gz GLHINUZBWHSZNL-QLFBSQMISA-N 2 2 345.447 1.016 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+][C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000843094317 595286268 /nfs/dbraw/zinc/28/62/68/595286268.db2.gz KMQUVIKVOFPGCW-KRWDZBQOSA-N 2 2 348.491 1.518 20 0 EDADLP CN(C)c1ccc(NC(=O)CC[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000843094317 595286270 /nfs/dbraw/zinc/28/62/70/595286270.db2.gz KMQUVIKVOFPGCW-KRWDZBQOSA-N 2 2 348.491 1.518 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H](O)c1c(F)cccc1Cl ZINC000843098110 595286658 /nfs/dbraw/zinc/28/66/58/595286658.db2.gz IZDVAOZXOUHIDD-IETSOEAISA-N 2 2 330.831 1.946 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](O)c1c(F)cccc1Cl ZINC000843098110 595286660 /nfs/dbraw/zinc/28/66/60/595286660.db2.gz IZDVAOZXOUHIDD-IETSOEAISA-N 2 2 330.831 1.946 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000843107636 595288247 /nfs/dbraw/zinc/28/82/47/595288247.db2.gz GBKQXNQQHWRURH-MOPGFXCFSA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000843107636 595288248 /nfs/dbraw/zinc/28/82/48/595288248.db2.gz GBKQXNQQHWRURH-MOPGFXCFSA-N 2 2 332.419 1.942 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000844167686 595289300 /nfs/dbraw/zinc/28/93/00/595289300.db2.gz OWEUUGFNEPPMAS-CXAGYDPISA-N 2 2 346.406 1.533 20 0 EDADLP COc1ccccc1[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1[nH+]ccn1C ZINC000844167587 595289396 /nfs/dbraw/zinc/28/93/96/595289396.db2.gz KTCCVDJVNGDGQW-HUUCEWRRSA-N 2 2 328.416 1.632 20 0 EDADLP Cn1[nH]c(C(C)(C)C)cc1=NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000844224099 595308209 /nfs/dbraw/zinc/30/82/09/595308209.db2.gz DASOGGQTUGKLHJ-HNNXBMFYSA-N 2 2 347.507 1.542 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000846813169 595320142 /nfs/dbraw/zinc/32/01/42/595320142.db2.gz YYLAQPODQPQPQM-AZUAARDMSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000846813169 595320144 /nfs/dbraw/zinc/32/01/44/595320144.db2.gz YYLAQPODQPQPQM-AZUAARDMSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000846813169 595320146 /nfs/dbraw/zinc/32/01/46/595320146.db2.gz YYLAQPODQPQPQM-AZUAARDMSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000846813169 595320148 /nfs/dbraw/zinc/32/01/48/595320148.db2.gz YYLAQPODQPQPQM-AZUAARDMSA-N 2 2 349.519 1.753 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000846848212 595325827 /nfs/dbraw/zinc/32/58/27/595325827.db2.gz AEAQVKCISCGNSS-VQTJNVASSA-N 2 2 349.519 1.835 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000846848212 595325829 /nfs/dbraw/zinc/32/58/29/595325829.db2.gz AEAQVKCISCGNSS-VQTJNVASSA-N 2 2 349.519 1.835 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000846848212 595325832 /nfs/dbraw/zinc/32/58/32/595325832.db2.gz AEAQVKCISCGNSS-VQTJNVASSA-N 2 2 349.519 1.835 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000846848212 595325835 /nfs/dbraw/zinc/32/58/35/595325835.db2.gz AEAQVKCISCGNSS-VQTJNVASSA-N 2 2 349.519 1.835 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000846920931 595337681 /nfs/dbraw/zinc/33/76/81/595337681.db2.gz MEENOKOPOSSFTH-RHSMWYFYSA-N 2 2 335.448 1.997 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000846920931 595337682 /nfs/dbraw/zinc/33/76/82/595337682.db2.gz MEENOKOPOSSFTH-RHSMWYFYSA-N 2 2 335.448 1.997 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1)[NH+]1CCOCC1 ZINC000844436017 595343365 /nfs/dbraw/zinc/34/33/65/595343365.db2.gz PEWMHLKPPKMNDX-INIZCTEOSA-N 2 2 345.434 1.335 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1)[NH+]1CCOCC1 ZINC000844436017 595343367 /nfs/dbraw/zinc/34/33/67/595343367.db2.gz PEWMHLKPPKMNDX-INIZCTEOSA-N 2 2 345.434 1.335 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844457730 595345848 /nfs/dbraw/zinc/34/58/48/595345848.db2.gz ZALCOOPPSMYKIG-MELADBBJSA-N 2 2 336.386 1.316 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844457730 595345851 /nfs/dbraw/zinc/34/58/51/595345851.db2.gz ZALCOOPPSMYKIG-MELADBBJSA-N 2 2 336.386 1.316 20 0 EDADLP c1ncn(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cn2)n1 ZINC000848518950 595401968 /nfs/dbraw/zinc/40/19/68/595401968.db2.gz OUWXEGTVJWISEC-QGZVFWFLSA-N 2 2 342.447 1.395 20 0 EDADLP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000849009949 595474437 /nfs/dbraw/zinc/47/44/37/595474437.db2.gz NMXGTVVZJOZMSD-WMZOPIPTSA-N 2 2 345.491 1.490 20 0 EDADLP O[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000850529506 595529386 /nfs/dbraw/zinc/52/93/86/595529386.db2.gz QRVWCCFMKWOXQB-VQTJNVASSA-N 2 2 345.487 1.551 20 0 EDADLP O[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c2ccccc21 ZINC000850529506 595529389 /nfs/dbraw/zinc/52/93/89/595529389.db2.gz QRVWCCFMKWOXQB-VQTJNVASSA-N 2 2 345.487 1.551 20 0 EDADLP CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765650 595533668 /nfs/dbraw/zinc/53/36/68/595533668.db2.gz QHJZSABFXJWSRX-GJZGRUSLSA-N 2 2 349.479 1.340 20 0 EDADLP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765650 595533669 /nfs/dbraw/zinc/53/36/69/595533669.db2.gz QHJZSABFXJWSRX-GJZGRUSLSA-N 2 2 349.479 1.340 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccns1 ZINC000860053492 595558739 /nfs/dbraw/zinc/55/87/39/595558739.db2.gz WVZRGWGLCLZWQF-AWEZNQCLSA-N 2 2 345.472 1.928 20 0 EDADLP COC(=O)Nc1ccccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855416999 595705717 /nfs/dbraw/zinc/70/57/17/595705717.db2.gz TVVWPBOVJIWSSU-UHFFFAOYSA-N 2 2 336.436 1.478 20 0 EDADLP COC(=O)Nc1ccccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855416999 595705719 /nfs/dbraw/zinc/70/57/19/595705719.db2.gz TVVWPBOVJIWSSU-UHFFFAOYSA-N 2 2 336.436 1.478 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1C ZINC000858126772 595706924 /nfs/dbraw/zinc/70/69/24/595706924.db2.gz JDUNICFYDLJZRC-LSDHHAIUSA-N 2 2 335.448 1.761 20 0 EDADLP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1C ZINC000858126772 595706926 /nfs/dbraw/zinc/70/69/26/595706926.db2.gz JDUNICFYDLJZRC-LSDHHAIUSA-N 2 2 335.448 1.761 20 0 EDADLP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)n1 ZINC000858194456 595726907 /nfs/dbraw/zinc/72/69/07/595726907.db2.gz GEHWCOWFWDZBTL-CYBMUJFWSA-N 2 2 343.269 1.526 20 0 EDADLP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](CC)C1 ZINC000853334139 595737290 /nfs/dbraw/zinc/73/72/90/595737290.db2.gz QSZICYZNDLNXPB-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000853334139 595737296 /nfs/dbraw/zinc/73/72/96/595737296.db2.gz QSZICYZNDLNXPB-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)C1 ZINC000858402902 595786314 /nfs/dbraw/zinc/78/63/14/595786314.db2.gz NODMYIKQNVBQJX-HOTGVXAUSA-N 2 2 346.475 1.391 20 0 EDADLP COC(=O)C1(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000853685239 595855008 /nfs/dbraw/zinc/85/50/08/595855008.db2.gz DJEWMJGIIOCOOO-OAHLLOKOSA-N 2 2 347.415 1.339 20 0 EDADLP COC(=O)C1(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000853685239 595855010 /nfs/dbraw/zinc/85/50/10/595855010.db2.gz DJEWMJGIIOCOOO-OAHLLOKOSA-N 2 2 347.415 1.339 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795371 595926097 /nfs/dbraw/zinc/92/60/97/595926097.db2.gz XTTLRNKATSRNGS-HUUCEWRRSA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795371 595926100 /nfs/dbraw/zinc/92/61/00/595926100.db2.gz XTTLRNKATSRNGS-HUUCEWRRSA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795371 595926102 /nfs/dbraw/zinc/92/61/02/595926102.db2.gz XTTLRNKATSRNGS-HUUCEWRRSA-N 2 2 329.485 1.629 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000851795371 595926103 /nfs/dbraw/zinc/92/61/03/595926103.db2.gz XTTLRNKATSRNGS-HUUCEWRRSA-N 2 2 329.485 1.629 20 0 EDADLP CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000861347535 595953199 /nfs/dbraw/zinc/95/31/99/595953199.db2.gz JZDQHVYXZBLATK-RHSMWYFYSA-N 2 2 330.388 1.533 20 0 EDADLP CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000861347535 595953203 /nfs/dbraw/zinc/95/32/03/595953203.db2.gz JZDQHVYXZBLATK-RHSMWYFYSA-N 2 2 330.388 1.533 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3c[nH+]cn3C)C2)ccn1 ZINC000856584035 596021777 /nfs/dbraw/zinc/02/17/77/596021777.db2.gz CJSDNSBUBHPQDV-IBGZPJMESA-N 3 2 343.475 1.963 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3c[nH+]cn3C)C2)ccn1 ZINC000856584035 596021780 /nfs/dbraw/zinc/02/17/80/596021780.db2.gz CJSDNSBUBHPQDV-IBGZPJMESA-N 3 2 343.475 1.963 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)ccn1 ZINC000856584035 596021784 /nfs/dbraw/zinc/02/17/84/596021784.db2.gz CJSDNSBUBHPQDV-IBGZPJMESA-N 3 2 343.475 1.963 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)ccn1 ZINC000856584035 596021788 /nfs/dbraw/zinc/02/17/88/596021788.db2.gz CJSDNSBUBHPQDV-IBGZPJMESA-N 3 2 343.475 1.963 20 0 EDADLP O=C(c1ccc2c[nH+]cn2c1)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856614239 596036070 /nfs/dbraw/zinc/03/60/70/596036070.db2.gz OMKPDPCGMVSZBL-DLBZAZTESA-N 2 2 349.394 1.325 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CCn3cnc(Br)n3)C2)C1 ZINC000852091783 596041290 /nfs/dbraw/zinc/04/12/90/596041290.db2.gz LQYMJZZMWYCVKU-CYBMUJFWSA-N 2 2 328.258 1.458 20 0 EDADLP C[N@H+]1CCC[C@@]2(CC[NH+](CCn3cnc(Br)n3)C2)C1 ZINC000852091783 596041291 /nfs/dbraw/zinc/04/12/91/596041291.db2.gz LQYMJZZMWYCVKU-CYBMUJFWSA-N 2 2 328.258 1.458 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@H+](CCn3cnc(Br)n3)C2)C1 ZINC000852091783 596041294 /nfs/dbraw/zinc/04/12/94/596041294.db2.gz LQYMJZZMWYCVKU-CYBMUJFWSA-N 2 2 328.258 1.458 20 0 EDADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CCn3cnc(Br)n3)C2)C1 ZINC000852091783 596041297 /nfs/dbraw/zinc/04/12/97/596041297.db2.gz LQYMJZZMWYCVKU-CYBMUJFWSA-N 2 2 328.258 1.458 20 0 EDADLP Cn1cc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000856768107 596076765 /nfs/dbraw/zinc/07/67/65/596076765.db2.gz OVLUTZYDPGYMHQ-UHFFFAOYSA-N 3 2 348.882 1.770 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](O)c3cccnc3)CC2)CC1 ZINC000862018913 596184019 /nfs/dbraw/zinc/18/40/19/596184019.db2.gz GHYYFBNQYRCMBR-GOSISDBHSA-N 2 2 346.475 1.134 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](O)c3cccnc3)CC2)CC1 ZINC000862018913 596184021 /nfs/dbraw/zinc/18/40/21/596184021.db2.gz GHYYFBNQYRCMBR-GOSISDBHSA-N 2 2 346.475 1.134 20 0 EDADLP CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000870487923 596260476 /nfs/dbraw/zinc/26/04/76/596260476.db2.gz XZNDUYKSBYBOGP-WMLDXEAASA-N 2 2 335.379 1.668 20 0 EDADLP CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)Cc2cn3cc(F)ccc3[nH+]2)C1 ZINC000870487923 596260477 /nfs/dbraw/zinc/26/04/77/596260477.db2.gz XZNDUYKSBYBOGP-WMLDXEAASA-N 2 2 335.379 1.668 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)/C=C\C[NH+]3CCOCC3)cc2)CC1 ZINC000864552403 596262469 /nfs/dbraw/zinc/26/24/69/596262469.db2.gz PVUFSTJKXXBLII-IHWYPQMZSA-N 2 2 344.459 1.265 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000862482784 596334224 /nfs/dbraw/zinc/33/42/24/596334224.db2.gz BQJAFPDGVPMHQJ-UHFFFAOYSA-N 2 2 328.420 1.350 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000864773236 596347964 /nfs/dbraw/zinc/34/79/64/596347964.db2.gz ODZZEABTXYFQLW-ZZXKWVIFSA-N 2 2 329.444 1.049 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000864773236 596347965 /nfs/dbraw/zinc/34/79/65/596347965.db2.gz ODZZEABTXYFQLW-ZZXKWVIFSA-N 2 2 329.444 1.049 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)cc1F ZINC000870855371 596378688 /nfs/dbraw/zinc/37/86/88/596378688.db2.gz OSONNZYOEKJGOS-VCBZYWHSSA-N 2 2 347.434 1.606 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000870874699 596386024 /nfs/dbraw/zinc/38/60/24/596386024.db2.gz LOMMGOHSLYQVQR-AWEZNQCLSA-N 2 2 338.249 1.756 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870881024 596388332 /nfs/dbraw/zinc/38/83/32/596388332.db2.gz YJVVTBFHKANNGJ-GJYPPUQNSA-N 2 2 329.444 1.467 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC(F)(F)C[NH3+])C2)cc1 ZINC000870978921 596425930 /nfs/dbraw/zinc/42/59/30/596425930.db2.gz DBDUDAPHJQHTSQ-HNNXBMFYSA-N 2 2 341.402 1.296 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CC(F)(F)C[NH3+])C2)cc1 ZINC000870978921 596425932 /nfs/dbraw/zinc/42/59/32/596425932.db2.gz DBDUDAPHJQHTSQ-HNNXBMFYSA-N 2 2 341.402 1.296 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)Cc2cn3cc(F)ccc3[nH+]2)n1 ZINC000865059464 596458857 /nfs/dbraw/zinc/45/88/57/596458857.db2.gz GBDAVRLKYDXKJX-UHFFFAOYSA-N 2 2 330.367 1.413 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000865104979 596476696 /nfs/dbraw/zinc/47/66/96/596476696.db2.gz UCYZYMXWMTVICL-LAQIPUCWSA-N 2 2 347.459 1.730 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000869307945 596482237 /nfs/dbraw/zinc/48/22/37/596482237.db2.gz XRXUXCCBCPGJKP-WEBJUUICSA-N 2 2 329.444 1.266 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000869307945 596482239 /nfs/dbraw/zinc/48/22/39/596482239.db2.gz XRXUXCCBCPGJKP-WEBJUUICSA-N 2 2 329.444 1.266 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C)C(C)(C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000871156530 596482619 /nfs/dbraw/zinc/48/26/19/596482619.db2.gz DPXTYPQLGJXVOZ-CVEARBPZSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](C)C(C)(C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000871156530 596482621 /nfs/dbraw/zinc/48/26/21/596482621.db2.gz DPXTYPQLGJXVOZ-CVEARBPZSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+]1CCO[C@H](CC)C1 ZINC000871156530 596482622 /nfs/dbraw/zinc/48/26/22/596482622.db2.gz DPXTYPQLGJXVOZ-CVEARBPZSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1CCO[C@H](CC)C1 ZINC000871156530 596482624 /nfs/dbraw/zinc/48/26/24/596482624.db2.gz DPXTYPQLGJXVOZ-CVEARBPZSA-N 2 2 325.497 1.819 20 0 EDADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865130651 596486712 /nfs/dbraw/zinc/48/67/12/596486712.db2.gz TVHRDFMYNPZRSE-GOSISDBHSA-N 2 2 342.443 1.814 20 0 EDADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865130651 596486714 /nfs/dbraw/zinc/48/67/14/596486714.db2.gz TVHRDFMYNPZRSE-GOSISDBHSA-N 2 2 342.443 1.814 20 0 EDADLP CCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000865523460 596600138 /nfs/dbraw/zinc/60/01/38/596600138.db2.gz BKNRBWPXVSBSKE-IBGZPJMESA-N 2 2 343.475 1.935 20 0 EDADLP CCCn1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)nn1 ZINC000865523460 596600142 /nfs/dbraw/zinc/60/01/42/596600142.db2.gz BKNRBWPXVSBSKE-IBGZPJMESA-N 2 2 343.475 1.935 20 0 EDADLP C[NH+](C)CCCOc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000865573013 596614817 /nfs/dbraw/zinc/61/48/17/596614817.db2.gz GXEKROHWHCTCIB-HWKANZROSA-N 2 2 347.459 1.844 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000867927136 596618663 /nfs/dbraw/zinc/61/86/63/596618663.db2.gz BZCPPYZTIMFNNK-ZDUSSCGKSA-N 2 2 347.419 1.728 20 0 EDADLP CCCCn1nc(C)c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1Cl ZINC000863648729 596644635 /nfs/dbraw/zinc/64/46/35/596644635.db2.gz GAEMREDTJWBSRN-UHFFFAOYSA-N 2 2 338.843 1.889 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869815768 596647084 /nfs/dbraw/zinc/64/70/84/596647084.db2.gz QLBGHYQALJKRAD-UHFFFAOYSA-N 2 2 329.444 1.053 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000865745023 596667465 /nfs/dbraw/zinc/66/74/65/596667465.db2.gz BTTKMGQMNZPFBD-LSDHHAIUSA-N 2 2 346.431 1.794 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cc3n(n2)CC[N@H+](C)C3)cc1 ZINC000868203811 596722206 /nfs/dbraw/zinc/72/22/06/596722206.db2.gz IFVIQHBQILPOFP-LBPRGKRZSA-N 2 2 328.420 1.670 20 0 EDADLP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)cc1 ZINC000868203811 596722208 /nfs/dbraw/zinc/72/22/08/596722208.db2.gz IFVIQHBQILPOFP-LBPRGKRZSA-N 2 2 328.420 1.670 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)NC[C@@H]3[NH2+]CCc4ccccc43)cc2C1 ZINC000868206288 596723726 /nfs/dbraw/zinc/72/37/26/596723726.db2.gz VZZMMYQUCLJTSR-INIZCTEOSA-N 2 2 340.431 1.337 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)NC[C@@H]3[NH2+]CCc4ccccc43)cc2C1 ZINC000868206288 596723728 /nfs/dbraw/zinc/72/37/28/596723728.db2.gz VZZMMYQUCLJTSR-INIZCTEOSA-N 2 2 340.431 1.337 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868231553 596737257 /nfs/dbraw/zinc/73/72/57/596737257.db2.gz HBSJPYZVNKGQOL-JKSUJKDBSA-N 2 2 341.415 1.185 20 0 EDADLP COc1cccc([C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC[NH2+]2)c1 ZINC000870152832 596776663 /nfs/dbraw/zinc/77/66/63/596776663.db2.gz QBOHVCURRLVDQD-MAUKXSAKSA-N 2 2 347.459 1.136 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000868310789 596783957 /nfs/dbraw/zinc/78/39/57/596783957.db2.gz ZEWUGAUKUNCKJR-KRWDZBQOSA-N 2 2 338.411 1.387 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000868310789 596783959 /nfs/dbraw/zinc/78/39/59/596783959.db2.gz ZEWUGAUKUNCKJR-KRWDZBQOSA-N 2 2 338.411 1.387 20 0 EDADLP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000872033247 596798640 /nfs/dbraw/zinc/79/86/40/596798640.db2.gz AOLAXJWDTLNSCR-RTBURBONSA-N 2 2 337.483 1.997 20 0 EDADLP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000872033247 596798643 /nfs/dbraw/zinc/79/86/43/596798643.db2.gz AOLAXJWDTLNSCR-RTBURBONSA-N 2 2 337.483 1.997 20 0 EDADLP Cc1csc2nc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc(=O)n12 ZINC000872148138 596812011 /nfs/dbraw/zinc/81/20/11/596812011.db2.gz NSDCQWDHUZUPNN-ONGXEEELSA-N 2 2 346.378 1.633 20 0 EDADLP Cc1csc2nc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc(=O)n12 ZINC000872148138 596812013 /nfs/dbraw/zinc/81/20/13/596812013.db2.gz NSDCQWDHUZUPNN-ONGXEEELSA-N 2 2 346.378 1.633 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148508 596812148 /nfs/dbraw/zinc/81/21/48/596812148.db2.gz PSFIGKDTSLMPFS-ZIAGYGMSSA-N 2 2 329.366 1.680 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148508 596812150 /nfs/dbraw/zinc/81/21/50/596812150.db2.gz PSFIGKDTSLMPFS-ZIAGYGMSSA-N 2 2 329.366 1.680 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150363 596813386 /nfs/dbraw/zinc/81/33/86/596813386.db2.gz QHATYMJAEFCOMR-SCDSUCTJSA-N 2 2 347.356 1.899 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872150363 596813388 /nfs/dbraw/zinc/81/33/88/596813388.db2.gz QHATYMJAEFCOMR-SCDSUCTJSA-N 2 2 347.356 1.899 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872152127 596813927 /nfs/dbraw/zinc/81/39/27/596813927.db2.gz ZGDYEZYDZPYCSA-UONOGXRCSA-N 2 2 329.366 1.957 20 0 EDADLP CN(C)C(=O)c1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000872152127 596813930 /nfs/dbraw/zinc/81/39/30/596813930.db2.gz ZGDYEZYDZPYCSA-UONOGXRCSA-N 2 2 329.366 1.957 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153432 596815019 /nfs/dbraw/zinc/81/50/19/596815019.db2.gz AEOBVPATXDLPKU-ABSDTBQOSA-N 2 2 342.487 1.265 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153432 596815020 /nfs/dbraw/zinc/81/50/20/596815020.db2.gz AEOBVPATXDLPKU-ABSDTBQOSA-N 2 2 342.487 1.265 20 0 EDADLP CN(C)c1nc(NC2CC[NH+](CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000866169626 596815342 /nfs/dbraw/zinc/81/53/42/596815342.db2.gz YQDGTZWUIAAPJK-UHFFFAOYSA-N 2 2 335.452 1.761 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(Cc3cn4cc(Cl)ccc4n3)C[C@H]2[NH3+])c1 ZINC000864297000 596820315 /nfs/dbraw/zinc/82/03/15/596820315.db2.gz OBPVUOKLDRRWMA-ZIAGYGMSSA-N 2 2 330.823 1.648 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@H]21 ZINC000866206622 596826990 /nfs/dbraw/zinc/82/69/90/596826990.db2.gz FABYXXQIXYWTBP-HUUCEWRRSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@H]21 ZINC000866206622 596826993 /nfs/dbraw/zinc/82/69/93/596826993.db2.gz FABYXXQIXYWTBP-HUUCEWRRSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@H]21 ZINC000866206622 596826996 /nfs/dbraw/zinc/82/69/96/596826996.db2.gz FABYXXQIXYWTBP-HUUCEWRRSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@H]21 ZINC000866206622 596826998 /nfs/dbraw/zinc/82/69/98/596826998.db2.gz FABYXXQIXYWTBP-HUUCEWRRSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@@H]21 ZINC000866206552 596827151 /nfs/dbraw/zinc/82/71/51/596827151.db2.gz FABYXXQIXYWTBP-CABCVRRESA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)[nH+]cn3)CC[C@@H]21 ZINC000866206552 596827153 /nfs/dbraw/zinc/82/71/53/596827153.db2.gz FABYXXQIXYWTBP-CABCVRRESA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@@H]21 ZINC000866206552 596827155 /nfs/dbraw/zinc/82/71/55/596827155.db2.gz FABYXXQIXYWTBP-CABCVRRESA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)nc[nH+]3)CC[C@@H]21 ZINC000866206552 596827156 /nfs/dbraw/zinc/82/71/56/596827156.db2.gz FABYXXQIXYWTBP-CABCVRRESA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@H]2CN(c3nc4c(cnn4C(C)(C)C)c(N)[nH+]3)CC[C@@H]21 ZINC000866207295 596827863 /nfs/dbraw/zinc/82/78/63/596827863.db2.gz CKGOVAULFNIBNN-AAEUAGOBSA-N 2 2 329.452 1.694 20 0 EDADLP C[N@H+]1CC[C@H]2CN(c3nc4c(cnn4C(C)(C)C)c(N)[nH+]3)CC[C@@H]21 ZINC000866207295 596827865 /nfs/dbraw/zinc/82/78/65/596827865.db2.gz CKGOVAULFNIBNN-AAEUAGOBSA-N 2 2 329.452 1.694 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000868544724 596878780 /nfs/dbraw/zinc/87/87/80/596878780.db2.gz HDTKMOBNKNJCAK-UHFFFAOYSA-N 2 2 338.496 1.413 20 0 EDADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411363 596879402 /nfs/dbraw/zinc/87/94/02/596879402.db2.gz KNKWSUXJSLYKQU-CABCVRRESA-N 2 2 349.475 1.847 20 0 EDADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411363 596879406 /nfs/dbraw/zinc/87/94/06/596879406.db2.gz KNKWSUXJSLYKQU-CABCVRRESA-N 2 2 349.475 1.847 20 0 EDADLP CCOC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000866412876 596880337 /nfs/dbraw/zinc/88/03/37/596880337.db2.gz MWNMZYWIKFZDJY-NRXISQOPSA-N 2 2 327.469 1.479 20 0 EDADLP CCOC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000866412876 596880339 /nfs/dbraw/zinc/88/03/39/596880339.db2.gz MWNMZYWIKFZDJY-NRXISQOPSA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000866415268 596881057 /nfs/dbraw/zinc/88/10/57/596881057.db2.gz YWVYUGGDWNBFOQ-KKUMJFAQSA-N 2 2 341.496 1.867 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000866415268 596881059 /nfs/dbraw/zinc/88/10/59/596881059.db2.gz YWVYUGGDWNBFOQ-KKUMJFAQSA-N 2 2 341.496 1.867 20 0 EDADLP C[C@H]1C[C@@H](Nc2[nH+]cnc3c2c(Br)nn3C)CC[NH2+]1 ZINC000872773429 597063435 /nfs/dbraw/zinc/06/34/35/597063435.db2.gz ZPGUOXIPXYNTIG-YUMQZZPRSA-N 2 2 325.214 1.678 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)nc[nH+]2)C1 ZINC000872778144 597064253 /nfs/dbraw/zinc/06/42/53/597064253.db2.gz BDYWFNBTYPUEFF-ZJIFWQFVSA-N 2 2 331.464 1.357 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[C@@H]4[C@H]3CCC[N@H+]4C)nc[nH+]2)C1 ZINC000872778144 597064257 /nfs/dbraw/zinc/06/42/57/597064257.db2.gz BDYWFNBTYPUEFF-ZJIFWQFVSA-N 2 2 331.464 1.357 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000876346656 597174682 /nfs/dbraw/zinc/17/46/82/597174682.db2.gz UYNUXYPKTUBJRS-HRCADAONSA-N 2 2 326.485 1.127 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000876346656 597174683 /nfs/dbraw/zinc/17/46/83/597174683.db2.gz UYNUXYPKTUBJRS-HRCADAONSA-N 2 2 326.485 1.127 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000874835756 597192049 /nfs/dbraw/zinc/19/20/49/597192049.db2.gz CMPPHRMLWWITJK-IRXDYDNUSA-N 2 2 345.491 1.327 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)CC1 ZINC000874835756 597192052 /nfs/dbraw/zinc/19/20/52/597192052.db2.gz CMPPHRMLWWITJK-IRXDYDNUSA-N 2 2 345.491 1.327 20 0 EDADLP c1c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000873207404 597227911 /nfs/dbraw/zinc/22/79/11/597227911.db2.gz AVNAGSXPCSHNDZ-OAHLLOKOSA-N 3 2 335.517 1.938 20 0 EDADLP c1c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000873207404 597227914 /nfs/dbraw/zinc/22/79/14/597227914.db2.gz AVNAGSXPCSHNDZ-OAHLLOKOSA-N 3 2 335.517 1.938 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000874994082 597235870 /nfs/dbraw/zinc/23/58/70/597235870.db2.gz MALPLXWFUVCLAP-CABCVRRESA-N 2 2 338.452 1.292 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000874994082 597235872 /nfs/dbraw/zinc/23/58/72/597235872.db2.gz MALPLXWFUVCLAP-CABCVRRESA-N 2 2 338.452 1.292 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000874996828 597236190 /nfs/dbraw/zinc/23/61/90/597236190.db2.gz OFLKXOBRTKESLL-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000874996828 597236193 /nfs/dbraw/zinc/23/61/93/597236193.db2.gz OFLKXOBRTKESLL-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cccc(CN2CCO[C@H](C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)C2)c1 ZINC000873263890 597242673 /nfs/dbraw/zinc/24/26/73/597242673.db2.gz ABEYWPRIJHCQRS-DFQSSKMNSA-N 2 2 347.503 1.552 20 0 EDADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2nnc[nH]2)cc1 ZINC000873294558 597249905 /nfs/dbraw/zinc/24/99/05/597249905.db2.gz WQSJWYKSSRGVRA-HZPDHXFCSA-N 2 2 345.422 1.782 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cn2c1 ZINC000875133149 597295533 /nfs/dbraw/zinc/29/55/33/597295533.db2.gz YIPWAIJYPNSKAY-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)cn2c1 ZINC000875133149 597295535 /nfs/dbraw/zinc/29/55/35/597295535.db2.gz YIPWAIJYPNSKAY-GOEBONIOSA-N 2 2 327.432 1.878 20 0 EDADLP Cn1ncc(C[NH3+])c1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000876715779 597301985 /nfs/dbraw/zinc/30/19/85/597301985.db2.gz AIKNVVGPFPGYAI-UHFFFAOYSA-N 2 2 328.420 1.194 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H](N)C[NH+](C)C)C[C@@H](C)O1 ZINC000876726262 597307371 /nfs/dbraw/zinc/30/73/71/597307371.db2.gz XMHGJXNFBORFHW-FMKPAKJESA-N 2 2 334.464 1.123 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@H]2CC)CC1 ZINC000875190540 597321409 /nfs/dbraw/zinc/32/14/09/597321409.db2.gz DHULDKOXYCSLDO-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@H]2CC)CC1 ZINC000875190540 597321413 /nfs/dbraw/zinc/32/14/13/597321413.db2.gz DHULDKOXYCSLDO-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP O=C(CC[NH2+]CC1CC1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877201858 597460812 /nfs/dbraw/zinc/46/08/12/597460812.db2.gz RQMHPPIYLPPHGZ-UHFFFAOYSA-N 2 2 334.489 1.641 20 0 EDADLP C[NH+](C)C[C@@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000877669437 597546350 /nfs/dbraw/zinc/54/63/50/597546350.db2.gz JKKNIRMSIHFOSJ-ZIAGYGMSSA-N 3 2 347.429 1.617 20 0 EDADLP Cc1[nH+]c2ccccn2c1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669520 597546366 /nfs/dbraw/zinc/54/63/66/597546366.db2.gz NBZZOCSPXHUXFV-IAGOWNOFSA-N 3 2 329.492 1.814 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCC[C@H]2CCOC2=O)CC1 ZINC000877806988 597559455 /nfs/dbraw/zinc/55/94/55/597559455.db2.gz NHECCJXIKNDJQO-AWEZNQCLSA-N 2 2 326.437 1.337 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)c1 ZINC000878056988 597572789 /nfs/dbraw/zinc/57/27/89/597572789.db2.gz HUDNAXDSGTVMRO-QGZVFWFLSA-N 2 2 347.459 1.798 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593282 597649102 /nfs/dbraw/zinc/64/91/02/597649102.db2.gz XCJRHKQVZJWCFK-QGZVFWFLSA-N 2 2 338.540 1.591 20 0 EDADLP CC1(C)C[C@H](O)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000879618737 597660425 /nfs/dbraw/zinc/66/04/25/597660425.db2.gz BRRSVNCFZDRBCO-INIZCTEOSA-N 2 2 346.475 1.213 20 0 EDADLP CC1(C)C[C@H](O)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000879618737 597660428 /nfs/dbraw/zinc/66/04/28/597660428.db2.gz BRRSVNCFZDRBCO-INIZCTEOSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879620840 597661395 /nfs/dbraw/zinc/66/13/95/597661395.db2.gz LNAFEACTKCIXPF-JKSUJKDBSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879620840 597661396 /nfs/dbraw/zinc/66/13/96/597661396.db2.gz LNAFEACTKCIXPF-JKSUJKDBSA-N 2 2 346.475 1.212 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000878668386 597673586 /nfs/dbraw/zinc/67/35/86/597673586.db2.gz UNZKAJJOUSOISB-QZTJIDSGSA-N 2 2 336.476 1.296 20 0 EDADLP O[C@]1(C(F)F)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878669856 597673628 /nfs/dbraw/zinc/67/36/28/597673628.db2.gz MOHKAKOOGKTMGI-DLBZAZTESA-N 2 2 326.387 1.325 20 0 EDADLP O[C@]1(C(F)F)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000878669856 597673630 /nfs/dbraw/zinc/67/36/30/597673630.db2.gz MOHKAKOOGKTMGI-DLBZAZTESA-N 2 2 326.387 1.325 20 0 EDADLP O[C@]1(C(F)F)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000878669856 597673631 /nfs/dbraw/zinc/67/36/31/597673631.db2.gz MOHKAKOOGKTMGI-DLBZAZTESA-N 2 2 326.387 1.325 20 0 EDADLP O[C@]1(C(F)F)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000878669856 597673633 /nfs/dbraw/zinc/67/36/33/597673633.db2.gz MOHKAKOOGKTMGI-DLBZAZTESA-N 2 2 326.387 1.325 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000879673402 597681629 /nfs/dbraw/zinc/68/16/29/597681629.db2.gz JFPGVQVUXQRMAV-MRXNPFEDSA-N 2 2 342.447 1.753 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000879673402 597681630 /nfs/dbraw/zinc/68/16/30/597681630.db2.gz JFPGVQVUXQRMAV-MRXNPFEDSA-N 2 2 342.447 1.753 20 0 EDADLP CC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC000883351913 597723032 /nfs/dbraw/zinc/72/30/32/597723032.db2.gz OLQTWCSGERSZSA-MJGOQNOKSA-N 2 2 339.524 1.578 20 0 EDADLP c1[nH]nc2c1[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)CCC2 ZINC000883371224 597725428 /nfs/dbraw/zinc/72/54/28/597725428.db2.gz BJAROCRABSGBGY-WBVHZDCISA-N 2 2 333.480 1.173 20 0 EDADLP COC(=O)N(C)CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000878950832 597764797 /nfs/dbraw/zinc/76/47/97/597764797.db2.gz ANHAQZPRLCEBSC-GOSISDBHSA-N 2 2 335.448 1.253 20 0 EDADLP COC(=O)N(C)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000878950832 597764799 /nfs/dbraw/zinc/76/47/99/597764799.db2.gz ANHAQZPRLCEBSC-GOSISDBHSA-N 2 2 335.448 1.253 20 0 EDADLP COC(=O)N(C)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000878950832 597764801 /nfs/dbraw/zinc/76/48/01/597764801.db2.gz ANHAQZPRLCEBSC-GOSISDBHSA-N 2 2 335.448 1.253 20 0 EDADLP COC(=O)N(C)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000878950832 597764802 /nfs/dbraw/zinc/76/48/02/597764802.db2.gz ANHAQZPRLCEBSC-GOSISDBHSA-N 2 2 335.448 1.253 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H](CO)C[NH+]1CCCC1 ZINC000879995626 597801714 /nfs/dbraw/zinc/80/17/14/597801714.db2.gz WDDWHBZITRAARS-KRWDZBQOSA-N 2 2 342.443 1.047 20 0 EDADLP CCC1([NH3+])CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000883629445 597836753 /nfs/dbraw/zinc/83/67/53/597836753.db2.gz VKTUVBRNMRPVNW-UHFFFAOYSA-N 2 2 341.415 1.541 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000882484825 597973273 /nfs/dbraw/zinc/97/32/73/597973273.db2.gz BXDHSAIGVVFLAV-ROUUACIJSA-N 2 2 330.476 1.186 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000882484825 597973275 /nfs/dbraw/zinc/97/32/75/597973275.db2.gz BXDHSAIGVVFLAV-ROUUACIJSA-N 2 2 330.476 1.186 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992666659 695184963 /nfs/dbraw/zinc/18/49/63/695184963.db2.gz JYEPZMSGIYZVQX-IMJJTQAJSA-N 2 2 343.431 1.747 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031034292 695240288 /nfs/dbraw/zinc/24/02/88/695240288.db2.gz NCUDRFKMSPTNOX-MRXNPFEDSA-N 2 2 334.464 1.766 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000914243937 695303506 /nfs/dbraw/zinc/30/35/06/695303506.db2.gz XEUBAQZJXKJQFB-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCc1ccn2cc[nH+]c2c1 ZINC000914254506 695315820 /nfs/dbraw/zinc/31/58/20/695315820.db2.gz LITSJLBQURDGMU-INIZCTEOSA-N 2 2 334.445 1.240 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000914333377 695365558 /nfs/dbraw/zinc/36/55/58/695365558.db2.gz XVIHYZHMPZGXFH-SFHVURJKSA-N 2 2 348.491 1.528 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000914333377 695365561 /nfs/dbraw/zinc/36/55/61/695365561.db2.gz XVIHYZHMPZGXFH-SFHVURJKSA-N 2 2 348.491 1.528 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)c(C)n1 ZINC000939856576 699995461 /nfs/dbraw/zinc/99/54/61/699995461.db2.gz OQNJBITWXJTHHK-CXAGYDPISA-N 2 2 327.432 1.532 20 0 EDADLP C[C@H](C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1)[NH+]1CCCCCC1 ZINC001031049368 695379636 /nfs/dbraw/zinc/37/96/36/695379636.db2.gz BTPDBRKTHLTTOC-WBVHZDCISA-N 2 2 337.508 1.866 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)o1 ZINC000992828350 695390762 /nfs/dbraw/zinc/39/07/62/695390762.db2.gz CBAGPKVOVTXABR-CWRNSKLLSA-N 2 2 343.431 1.666 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cncs3)[C@@H]2C1 ZINC000992920208 695454330 /nfs/dbraw/zinc/45/43/30/695454330.db2.gz BYYSYQWDLGBZEP-IMJJTQAJSA-N 2 2 345.472 1.757 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc2c(c1)COC2 ZINC001038095872 695568020 /nfs/dbraw/zinc/56/80/20/695568020.db2.gz NMPFYNLSQSBQRT-MSOLQXFVSA-N 2 2 329.444 1.502 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc2c(c1)COC2 ZINC001038095872 695568022 /nfs/dbraw/zinc/56/80/22/695568022.db2.gz NMPFYNLSQSBQRT-MSOLQXFVSA-N 2 2 329.444 1.502 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC001038095872 695568024 /nfs/dbraw/zinc/56/80/24/695568024.db2.gz NMPFYNLSQSBQRT-MSOLQXFVSA-N 2 2 329.444 1.502 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc2c(c1)COC2 ZINC001038095872 695568028 /nfs/dbraw/zinc/56/80/28/695568028.db2.gz NMPFYNLSQSBQRT-MSOLQXFVSA-N 2 2 329.444 1.502 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031267616 696081838 /nfs/dbraw/zinc/08/18/38/696081838.db2.gz OCVNIFULCMVDLO-SFHVURJKSA-N 2 2 346.475 1.503 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2ocnc2C)[C@@H]1C ZINC000993622298 696266877 /nfs/dbraw/zinc/26/68/77/696266877.db2.gz OHLVDDIYKVDKNW-CABCVRRESA-N 2 2 331.420 1.657 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2ocnc2C)[C@@H]1C ZINC000993622298 696266878 /nfs/dbraw/zinc/26/68/78/696266878.db2.gz OHLVDDIYKVDKNW-CABCVRRESA-N 2 2 331.420 1.657 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1Cc1cncc(F)c1 ZINC000994248108 696637067 /nfs/dbraw/zinc/63/70/67/696637067.db2.gz DLBXPRZBYMWATA-RHSMWYFYSA-N 2 2 346.450 1.786 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@H+]1Cc1cncc(F)c1 ZINC000994248108 696637068 /nfs/dbraw/zinc/63/70/68/696637068.db2.gz DLBXPRZBYMWATA-RHSMWYFYSA-N 2 2 346.450 1.786 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)on1 ZINC000994422722 696844576 /nfs/dbraw/zinc/84/45/76/696844576.db2.gz NPZAZHITLKKRPC-DOMZBBRYSA-N 2 2 347.419 1.357 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)on1 ZINC000994422722 696844579 /nfs/dbraw/zinc/84/45/79/696844579.db2.gz NPZAZHITLKKRPC-DOMZBBRYSA-N 2 2 347.419 1.357 20 0 EDADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994462125 696896239 /nfs/dbraw/zinc/89/62/39/696896239.db2.gz KJLXGNLMCCOTDE-YOEHRIQHSA-N 2 2 346.475 1.077 20 0 EDADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994462125 696896242 /nfs/dbraw/zinc/89/62/42/696896242.db2.gz KJLXGNLMCCOTDE-YOEHRIQHSA-N 2 2 346.475 1.077 20 0 EDADLP CCc1cccc(OCC[NH+]2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001031384344 697003854 /nfs/dbraw/zinc/00/38/54/697003854.db2.gz CTDZFQRIPRJAPH-MRXNPFEDSA-N 2 2 331.460 1.380 20 0 EDADLP CCc1cccc(OCC[NH+]2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001031384344 697003856 /nfs/dbraw/zinc/00/38/56/697003856.db2.gz CTDZFQRIPRJAPH-MRXNPFEDSA-N 2 2 331.460 1.380 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC001031391990 697019982 /nfs/dbraw/zinc/01/99/82/697019982.db2.gz QPSFSQVAJWVKGG-KBXCAEBGSA-N 2 2 342.443 1.157 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669579 697464860 /nfs/dbraw/zinc/46/48/60/697464860.db2.gz OLBDAZJHWADDSC-GJZGRUSLSA-N 2 2 334.489 1.566 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccns2)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669579 697464864 /nfs/dbraw/zinc/46/48/64/697464864.db2.gz OLBDAZJHWADDSC-GJZGRUSLSA-N 2 2 334.489 1.566 20 0 EDADLP Cc1nc(C[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c(C)s1 ZINC001031675593 697484161 /nfs/dbraw/zinc/48/41/61/697484161.db2.gz NPZGQIUXDOWCFZ-INIZCTEOSA-N 2 2 348.516 1.650 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000921437732 697613105 /nfs/dbraw/zinc/61/31/05/697613105.db2.gz FURJJQLNRDDJHY-JKSUJKDBSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1cncc(C[NH+]2CC(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)c1 ZINC001031730389 698069703 /nfs/dbraw/zinc/06/97/03/698069703.db2.gz NFHXAIWAFODEQD-KRWDZBQOSA-N 2 2 339.443 1.712 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000943331971 698148091 /nfs/dbraw/zinc/14/80/91/698148091.db2.gz AYMWGZDSXSZKQZ-BBRMVZONSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000943331971 698148094 /nfs/dbraw/zinc/14/80/94/698148094.db2.gz AYMWGZDSXSZKQZ-BBRMVZONSA-N 2 2 349.479 1.437 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001031775900 699148713 /nfs/dbraw/zinc/14/87/13/699148713.db2.gz CIBOUANCTZKLFW-QGZVFWFLSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001031775900 699148714 /nfs/dbraw/zinc/14/87/14/699148714.db2.gz CIBOUANCTZKLFW-QGZVFWFLSA-N 2 2 337.414 1.997 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939134005 699219204 /nfs/dbraw/zinc/21/92/04/699219204.db2.gz VRUZHBBECRVCKE-OCCSQVGLSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939134005 699219206 /nfs/dbraw/zinc/21/92/06/699219206.db2.gz VRUZHBBECRVCKE-OCCSQVGLSA-N 2 2 335.452 1.046 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)n1 ZINC000939138127 699226817 /nfs/dbraw/zinc/22/68/17/699226817.db2.gz SQTPBCVSYXRIQY-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)n1 ZINC000939138127 699226820 /nfs/dbraw/zinc/22/68/20/699226820.db2.gz SQTPBCVSYXRIQY-KGLIPLIRSA-N 2 2 349.479 1.300 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCN(C2C[NH+](CCCC3CCC3)C2)CC1 ZINC000941585397 701590460 /nfs/dbraw/zinc/59/04/60/701590460.db2.gz MJLBJWYRCNGTGM-UHFFFAOYSA-N 2 2 345.491 1.361 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939408440 699562946 /nfs/dbraw/zinc/56/29/46/699562946.db2.gz OAZCTZVAWBDDMY-YPMHNXCESA-N 2 2 333.823 1.637 20 0 EDADLP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cc1 ZINC000939535033 699676196 /nfs/dbraw/zinc/67/61/96/699676196.db2.gz OPXPNFXMGUMIFY-CRAIPNDOSA-N 2 2 326.444 1.908 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939535864 699676853 /nfs/dbraw/zinc/67/68/53/699676853.db2.gz SDZGYPYWRHNGNF-WBMJQRKESA-N 2 2 345.447 1.458 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)n1 ZINC000939536239 699677199 /nfs/dbraw/zinc/67/71/99/699677199.db2.gz USMGFWWQGWONBA-CZUORRHYSA-N 2 2 343.431 1.003 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000939624406 699762105 /nfs/dbraw/zinc/76/21/05/699762105.db2.gz XVLWEBZVCLQHBL-DIFFPNOSSA-N 2 2 343.431 1.763 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)sc1C ZINC000939624392 699762183 /nfs/dbraw/zinc/76/21/83/699762183.db2.gz XMNGZPBMPQDZRS-ZUZCIYMTSA-N 2 2 347.488 1.971 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000939625892 699763510 /nfs/dbraw/zinc/76/35/10/699763510.db2.gz GGIQTXRMPQUILV-ZANVPECISA-N 2 2 334.449 1.057 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000939627248 699765005 /nfs/dbraw/zinc/76/50/05/699765005.db2.gz RAFZTGFHIUZUJW-SCLBCKFNSA-N 2 2 342.443 1.390 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939642164 699771623 /nfs/dbraw/zinc/77/16/23/699771623.db2.gz IGHDHYFJXCLXQE-FZMZJTMJSA-N 2 2 348.476 1.149 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)o1 ZINC000939642391 699771877 /nfs/dbraw/zinc/77/18/77/699771877.db2.gz JXKCBDPABOOFEA-BLLLJJGKSA-N 2 2 331.420 1.286 20 0 EDADLP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000940243463 700404815 /nfs/dbraw/zinc/40/48/15/700404815.db2.gz QGXJCGIXRUSWSX-UHFFFAOYSA-N 2 2 330.436 1.178 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CCO1 ZINC000940355933 700517702 /nfs/dbraw/zinc/51/77/02/700517702.db2.gz GVYADZBNWLAVFQ-HUUCEWRRSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000940356511 700518099 /nfs/dbraw/zinc/51/80/99/700518099.db2.gz QPQSWERSFWBMEQ-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000940353429 700537153 /nfs/dbraw/zinc/53/71/53/700537153.db2.gz OHIIFCXCTRAXGQ-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)o1 ZINC000940358750 700540233 /nfs/dbraw/zinc/54/02/33/700540233.db2.gz YWQJKJQHBKYXFA-CYBMUJFWSA-N 2 2 346.435 1.697 20 0 EDADLP COc1ccc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000940397274 700594274 /nfs/dbraw/zinc/59/42/74/700594274.db2.gz JERCIDUVZZDAEK-UHFFFAOYSA-N 2 2 343.431 1.527 20 0 EDADLP COc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)sn1 ZINC000940397841 700595010 /nfs/dbraw/zinc/59/50/10/700595010.db2.gz TXNKVDVUCZGQOX-UHFFFAOYSA-N 2 2 349.460 1.588 20 0 EDADLP CC(C)(C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1)c1c[nH+]c[nH]1 ZINC000940426110 700619646 /nfs/dbraw/zinc/61/96/46/700619646.db2.gz FXCMLHTYSJNODW-CQSZACIVSA-N 2 2 334.464 1.695 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cscn2)CC1(C)C ZINC000940617488 700799327 /nfs/dbraw/zinc/79/93/27/700799327.db2.gz KTWNEGJBBBLFNK-HUUCEWRRSA-N 2 2 336.505 1.954 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cscn2)CC1(C)C ZINC000940617488 700799328 /nfs/dbraw/zinc/79/93/28/700799328.db2.gz KTWNEGJBBBLFNK-HUUCEWRRSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cscn2)CC1(C)C ZINC000940617488 700799329 /nfs/dbraw/zinc/79/93/29/700799329.db2.gz KTWNEGJBBBLFNK-HUUCEWRRSA-N 2 2 336.505 1.954 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)CC1(C)C ZINC000940617488 700799330 /nfs/dbraw/zinc/79/93/30/700799330.db2.gz KTWNEGJBBBLFNK-HUUCEWRRSA-N 2 2 336.505 1.954 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)CC[N@@H+]1C ZINC000940756977 700892140 /nfs/dbraw/zinc/89/21/40/700892140.db2.gz OIUOWSHRIKYUES-BZUAXINKSA-N 2 2 345.491 1.534 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ncccn3)CC2(C)C)CC[N@H+]1C ZINC000940756977 700892142 /nfs/dbraw/zinc/89/21/42/700892142.db2.gz OIUOWSHRIKYUES-BZUAXINKSA-N 2 2 345.491 1.534 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ncccn3)CC2(C)C)CC[NH+]1C ZINC000940756977 700892144 /nfs/dbraw/zinc/89/21/44/700892144.db2.gz OIUOWSHRIKYUES-BZUAXINKSA-N 2 2 345.491 1.534 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ncccn3)CC2(C)C)CC[NH+]1C ZINC000940756977 700892146 /nfs/dbraw/zinc/89/21/46/700892146.db2.gz OIUOWSHRIKYUES-BZUAXINKSA-N 2 2 345.491 1.534 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]Cc2coc(C3CC3)n2)C1 ZINC000995104079 700909644 /nfs/dbraw/zinc/90/96/44/700909644.db2.gz BHRDWDWZSFLLTL-GXTWGEPZSA-N 2 2 343.431 1.892 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000940842422 700938470 /nfs/dbraw/zinc/93/84/70/700938470.db2.gz GIPRBMDUYIWRBN-HZPDHXFCSA-N 2 2 345.491 1.678 20 0 EDADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ncccn2)CC1(C)C ZINC000940842422 700938472 /nfs/dbraw/zinc/93/84/72/700938472.db2.gz GIPRBMDUYIWRBN-HZPDHXFCSA-N 2 2 345.491 1.678 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ncccn2)CC1(C)C ZINC000940842422 700938474 /nfs/dbraw/zinc/93/84/74/700938474.db2.gz GIPRBMDUYIWRBN-HZPDHXFCSA-N 2 2 345.491 1.678 20 0 EDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ncccn2)CC1(C)C ZINC000940842422 700938476 /nfs/dbraw/zinc/93/84/76/700938476.db2.gz GIPRBMDUYIWRBN-HZPDHXFCSA-N 2 2 345.491 1.678 20 0 EDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC000940842593 700938532 /nfs/dbraw/zinc/93/85/32/700938532.db2.gz JZWAGMDCSLHCIQ-HOTGVXAUSA-N 2 2 334.464 1.876 20 0 EDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC000940842593 700938533 /nfs/dbraw/zinc/93/85/33/700938533.db2.gz JZWAGMDCSLHCIQ-HOTGVXAUSA-N 2 2 334.464 1.876 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC000940842593 700938535 /nfs/dbraw/zinc/93/85/35/700938535.db2.gz JZWAGMDCSLHCIQ-HOTGVXAUSA-N 2 2 334.464 1.876 20 0 EDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC000940842593 700938537 /nfs/dbraw/zinc/93/85/37/700938537.db2.gz JZWAGMDCSLHCIQ-HOTGVXAUSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886191 700964039 /nfs/dbraw/zinc/96/40/39/700964039.db2.gz LNJIWEINVIOXRQ-HIFRSBDPSA-N 2 2 330.432 1.545 20 0 EDADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886191 700964040 /nfs/dbraw/zinc/96/40/40/700964040.db2.gz LNJIWEINVIOXRQ-HIFRSBDPSA-N 2 2 330.432 1.545 20 0 EDADLP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995119306 701104871 /nfs/dbraw/zinc/10/48/71/701104871.db2.gz WRADUGLKPMFXMH-ZBFHGGJFSA-N 2 2 327.432 1.730 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)o1 ZINC000945807154 701197460 /nfs/dbraw/zinc/19/74/60/701197460.db2.gz HGBBRQKWMGFNPO-ZFWWWQNUSA-N 2 2 345.447 1.769 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)o1 ZINC000945807154 701197466 /nfs/dbraw/zinc/19/74/66/701197466.db2.gz HGBBRQKWMGFNPO-ZFWWWQNUSA-N 2 2 345.447 1.769 20 0 EDADLP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)c1 ZINC000945809236 701201397 /nfs/dbraw/zinc/20/13/97/701201397.db2.gz SEEBJUXDOATKGD-QAPCUYQASA-N 2 2 342.443 1.919 20 0 EDADLP COc1cccc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)c1 ZINC000945809236 701201400 /nfs/dbraw/zinc/20/14/00/701201400.db2.gz SEEBJUXDOATKGD-QAPCUYQASA-N 2 2 342.443 1.919 20 0 EDADLP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031931735 701371505 /nfs/dbraw/zinc/37/15/05/701371505.db2.gz NBZZDLBMDVJZCP-OAHLLOKOSA-N 2 2 343.431 1.299 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000995148847 701539373 /nfs/dbraw/zinc/53/93/73/701539373.db2.gz BUIJVRXESBGPSG-KBPBESRZSA-N 2 2 328.420 1.125 20 0 EDADLP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995175709 701803775 /nfs/dbraw/zinc/80/37/75/701803775.db2.gz AEQUWQZARDUNIT-CABCVRRESA-N 2 2 344.463 1.552 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)cn1 ZINC001032128961 701804568 /nfs/dbraw/zinc/80/45/68/701804568.db2.gz NHGWRPUMOUPXIZ-SJLPKXTDSA-N 2 2 345.491 1.453 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001031977759 702036012 /nfs/dbraw/zinc/03/60/12/702036012.db2.gz HORXJLHQNJLAKJ-SWLSCSKDSA-N 2 2 336.867 1.481 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001031977759 702036017 /nfs/dbraw/zinc/03/60/17/702036017.db2.gz HORXJLHQNJLAKJ-SWLSCSKDSA-N 2 2 336.867 1.481 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C(C)(C)C2)CC[N@@H+]1C ZINC000995825608 702097491 /nfs/dbraw/zinc/09/74/91/702097491.db2.gz OHMUIIBIKOCXDW-ZNMIVQPWSA-N 2 2 349.479 1.435 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C(C)(C)C2)CC[N@H+]1C ZINC000995825608 702097498 /nfs/dbraw/zinc/09/74/98/702097498.db2.gz OHMUIIBIKOCXDW-ZNMIVQPWSA-N 2 2 349.479 1.435 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001032206364 702145079 /nfs/dbraw/zinc/14/50/79/702145079.db2.gz YFYFEPNWQMGWJX-SFHVURJKSA-N 2 2 346.475 1.974 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C3CC3)no2)C1 ZINC001032206364 702145081 /nfs/dbraw/zinc/14/50/81/702145081.db2.gz YFYFEPNWQMGWJX-SFHVURJKSA-N 2 2 346.475 1.974 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000995879007 702185924 /nfs/dbraw/zinc/18/59/24/702185924.db2.gz AUGHIAQIKYJLOD-MRXNPFEDSA-N 2 2 345.422 1.903 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995884540 702218771 /nfs/dbraw/zinc/21/87/71/702218771.db2.gz GEWQODORWKFFAJ-CYBMUJFWSA-N 2 2 349.479 1.443 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)sn1 ZINC000944098250 702266178 /nfs/dbraw/zinc/26/61/78/702266178.db2.gz NCRLAMQGFAVDSP-BLLLJJGKSA-N 2 2 347.488 1.754 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@@H](C)C2)sn1 ZINC000944098250 702266181 /nfs/dbraw/zinc/26/61/81/702266181.db2.gz NCRLAMQGFAVDSP-BLLLJJGKSA-N 2 2 347.488 1.754 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996081743 702486800 /nfs/dbraw/zinc/48/68/00/702486800.db2.gz HFKCRBVFZYVWIO-OAHLLOKOSA-N 2 2 344.463 1.076 20 0 EDADLP C[C@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000942064193 702495674 /nfs/dbraw/zinc/49/56/74/702495674.db2.gz PISGHXQQMKDZGS-GOEBONIOSA-N 2 2 336.455 1.948 20 0 EDADLP C[C@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000942064193 702495675 /nfs/dbraw/zinc/49/56/75/702495675.db2.gz PISGHXQQMKDZGS-GOEBONIOSA-N 2 2 336.455 1.948 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996105271 702565297 /nfs/dbraw/zinc/56/52/97/702565297.db2.gz HTMHXROYXDEDHR-HNNXBMFYSA-N 2 2 344.463 1.516 20 0 EDADLP CCc1noc(C[NH2+][C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)CC2(C)C)n1 ZINC000996316329 702704452 /nfs/dbraw/zinc/70/44/52/702704452.db2.gz YRMVVVQBLGTYCD-QWHCGFSZSA-N 2 2 337.468 1.299 20 0 EDADLP Cc1cnc([C@H](C)[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)cn1 ZINC000996353694 702731914 /nfs/dbraw/zinc/73/19/14/702731914.db2.gz CHCJMCDUPONFCO-XJKSGUPXSA-N 2 2 342.447 1.638 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)n1 ZINC000996357596 702734545 /nfs/dbraw/zinc/73/45/45/702734545.db2.gz YZLCKCVVAGQFMJ-MRXNPFEDSA-N 2 2 344.463 1.292 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996397991 702755388 /nfs/dbraw/zinc/75/53/88/702755388.db2.gz DWVLBCPUIZRMHB-CZUORRHYSA-N 2 2 344.463 1.349 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996397991 702755390 /nfs/dbraw/zinc/75/53/90/702755390.db2.gz DWVLBCPUIZRMHB-CZUORRHYSA-N 2 2 344.463 1.349 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)no1 ZINC000996462956 702790412 /nfs/dbraw/zinc/79/04/12/702790412.db2.gz CYCWPWCJNLOYSR-HNNXBMFYSA-N 2 2 349.479 1.585 20 0 EDADLP CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)no1 ZINC000996462956 702790414 /nfs/dbraw/zinc/79/04/14/702790414.db2.gz CYCWPWCJNLOYSR-HNNXBMFYSA-N 2 2 349.479 1.585 20 0 EDADLP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2(C)C)n1 ZINC000996512224 702831743 /nfs/dbraw/zinc/83/17/43/702831743.db2.gz BXNUBJOVPUSGSM-OAHLLOKOSA-N 2 2 344.463 1.448 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC2(C)C)sn1 ZINC000996515394 702851119 /nfs/dbraw/zinc/85/11/19/702851119.db2.gz RMXTXIKKHNLCOA-HNNXBMFYSA-N 2 2 347.488 1.754 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)C(C)(C)C1 ZINC000996516469 702851979 /nfs/dbraw/zinc/85/19/79/702851979.db2.gz ZQXOJEVRDKEPNW-QGZVFWFLSA-N 2 2 348.491 1.606 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996516602 702852408 /nfs/dbraw/zinc/85/24/08/702852408.db2.gz BRYJWLXWJDHEFO-KGLIPLIRSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996516602 702852411 /nfs/dbraw/zinc/85/24/11/702852411.db2.gz BRYJWLXWJDHEFO-KGLIPLIRSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nc(CC[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cs1 ZINC000996652061 702941842 /nfs/dbraw/zinc/94/18/42/702941842.db2.gz SWGZPPVSHAGTLR-UHFFFAOYSA-N 2 2 347.488 1.931 20 0 EDADLP Cc1nc(CC[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cs1 ZINC000996652061 702941844 /nfs/dbraw/zinc/94/18/44/702941844.db2.gz SWGZPPVSHAGTLR-UHFFFAOYSA-N 2 2 347.488 1.931 20 0 EDADLP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1)C1CC1 ZINC000996674911 702970451 /nfs/dbraw/zinc/97/04/51/702970451.db2.gz DJFRFDZAZDUXOS-MRXNPFEDSA-N 2 2 347.463 1.368 20 0 EDADLP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2noc(C3CC3)n2)CC1)[NH+](C)C ZINC000996691059 702988189 /nfs/dbraw/zinc/98/81/89/702988189.db2.gz AVNHRMJSHBVCPW-INIZCTEOSA-N 2 2 349.479 1.614 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000996711975 703006844 /nfs/dbraw/zinc/00/68/44/703006844.db2.gz DDKVUCZMRJPJDZ-OAHLLOKOSA-N 2 2 331.395 1.444 20 0 EDADLP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942517715 703011416 /nfs/dbraw/zinc/01/14/16/703011416.db2.gz FCDCFSQWVQRTIB-IUODEOHRSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942517715 703011420 /nfs/dbraw/zinc/01/14/20/703011420.db2.gz FCDCFSQWVQRTIB-IUODEOHRSA-N 2 2 331.420 1.515 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518160 703012494 /nfs/dbraw/zinc/01/24/94/703012494.db2.gz NHSFJKWJCKWUBM-BLLLJJGKSA-N 2 2 340.387 1.358 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000942518160 703012496 /nfs/dbraw/zinc/01/24/96/703012496.db2.gz NHSFJKWJCKWUBM-BLLLJJGKSA-N 2 2 340.387 1.358 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)c[nH+]1 ZINC000996720604 703014466 /nfs/dbraw/zinc/01/44/66/703014466.db2.gz GMOXUHLVFNPMMV-MRXNPFEDSA-N 2 2 348.491 1.934 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996738362 703024637 /nfs/dbraw/zinc/02/46/37/703024637.db2.gz NKJGKKCCCFWZMW-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996739278 703025242 /nfs/dbraw/zinc/02/52/42/703025242.db2.gz PYTIRFGJEQMWPW-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000996734248 703030562 /nfs/dbraw/zinc/03/05/62/703030562.db2.gz WHHJIWLYYWZUPG-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996735318 703031937 /nfs/dbraw/zinc/03/19/37/703031937.db2.gz BJTBUTQAZXLDPY-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CCC([NH2+]Cc3cscn3)CC2)no1 ZINC000996745696 703040118 /nfs/dbraw/zinc/04/01/18/703040118.db2.gz FMRHYROSTBYQEI-UHFFFAOYSA-N 2 2 349.460 1.587 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)co1 ZINC000996764215 703056433 /nfs/dbraw/zinc/05/64/33/703056433.db2.gz ZOCRWWNAFSUYAG-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cscn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594153 703106212 /nfs/dbraw/zinc/10/62/12/703106212.db2.gz DTRXDIXLTBQYSH-CJNGLKHVSA-N 2 2 336.505 1.812 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cscn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594153 703106213 /nfs/dbraw/zinc/10/62/13/703106213.db2.gz DTRXDIXLTBQYSH-CJNGLKHVSA-N 2 2 336.505 1.812 20 0 EDADLP Cc1nonc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942596734 703111254 /nfs/dbraw/zinc/11/12/54/703111254.db2.gz FIINTMOABBICNO-DOMZBBRYSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nonc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942596734 703111257 /nfs/dbraw/zinc/11/12/57/703111257.db2.gz FIINTMOABBICNO-DOMZBBRYSA-N 2 2 335.452 1.046 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCCC2)C1 ZINC001032331782 703112959 /nfs/dbraw/zinc/11/29/59/703112959.db2.gz JOLIAZQECFAZDP-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCCCC2)C1 ZINC001032331782 703112960 /nfs/dbraw/zinc/11/29/60/703112960.db2.gz JOLIAZQECFAZDP-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCCC2)C1 ZINC001032331782 703112962 /nfs/dbraw/zinc/11/29/62/703112962.db2.gz JOLIAZQECFAZDP-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCCC2)C1 ZINC001032331782 703112965 /nfs/dbraw/zinc/11/29/65/703112965.db2.gz JOLIAZQECFAZDP-BZSNNMDCSA-N 2 2 335.492 1.573 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996833593 703116269 /nfs/dbraw/zinc/11/62/69/703116269.db2.gz KGOANLHVTODURH-UHFFFAOYSA-N 2 2 345.422 1.668 20 0 EDADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C(F)(F)F ZINC000996856879 703134851 /nfs/dbraw/zinc/13/48/51/703134851.db2.gz LFLIRXJYEOVVSK-OCCSQVGLSA-N 2 2 346.397 1.988 20 0 EDADLP Cc1ncsc1CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996860257 703143642 /nfs/dbraw/zinc/14/36/42/703143642.db2.gz QBKGQCFBBZKKQQ-UHFFFAOYSA-N 2 2 347.488 1.861 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000997037085 703288617 /nfs/dbraw/zinc/28/86/17/703288617.db2.gz SNBOFJMOXZBEMI-QGZVFWFLSA-N 2 2 346.406 1.406 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000997048662 703297318 /nfs/dbraw/zinc/29/73/18/703297318.db2.gz IGFVLGYILJDOHB-CYBMUJFWSA-N 2 2 331.420 1.911 20 0 EDADLP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)n1 ZINC000997121260 703378468 /nfs/dbraw/zinc/37/84/68/703378468.db2.gz VHDCDCUXYRFTSP-UHFFFAOYSA-N 2 2 330.436 1.046 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)sn1 ZINC000997126928 703386073 /nfs/dbraw/zinc/38/60/73/703386073.db2.gz PIINKHGMMRDHJD-UHFFFAOYSA-N 2 2 335.433 1.198 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[C@H]3C[N@@H+]4C[C@H]3CCOC3)ccn12 ZINC001032403165 703421273 /nfs/dbraw/zinc/42/12/73/703421273.db2.gz VBDGPNDXGNLOKA-PVAVHDDUSA-N 2 2 340.427 1.578 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[C@H]3C[N@H+]4C[C@H]3CCOC3)ccn12 ZINC001032403165 703421275 /nfs/dbraw/zinc/42/12/75/703421275.db2.gz VBDGPNDXGNLOKA-PVAVHDDUSA-N 2 2 340.427 1.578 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]Cc2cccc(Cl)n2)CC1 ZINC000997178593 703465558 /nfs/dbraw/zinc/46/55/58/703465558.db2.gz DKJWGBNNCDTPGP-UHFFFAOYSA-N 2 2 347.850 1.792 20 0 EDADLP Cn1cc(CC[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)cn1 ZINC000997182262 703467258 /nfs/dbraw/zinc/46/72/58/703467258.db2.gz HXFJZBSSUPZSCP-UHFFFAOYSA-N 2 2 344.463 1.244 20 0 EDADLP C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC[NH+](CCCO)CC1 ZINC000997186564 703475938 /nfs/dbraw/zinc/47/59/38/703475938.db2.gz MDBLYIYSRWVVPA-ZBFHGGJFSA-N 2 2 334.464 1.045 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)no1 ZINC000997238764 703525372 /nfs/dbraw/zinc/52/53/72/703525372.db2.gz XDQKYGHDNNWMPL-UHFFFAOYSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997262793 703540743 /nfs/dbraw/zinc/54/07/43/703540743.db2.gz RIIBDJJYWZDUJS-DVOMOZLQSA-N 2 2 349.479 1.750 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001032445520 703614373 /nfs/dbraw/zinc/61/43/73/703614373.db2.gz JIYXHUVMWDSVPG-MPGHIAIKSA-N 2 2 346.475 1.671 20 0 EDADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001032445520 703614374 /nfs/dbraw/zinc/61/43/74/703614374.db2.gz JIYXHUVMWDSVPG-MPGHIAIKSA-N 2 2 346.475 1.671 20 0 EDADLP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032454524 703641385 /nfs/dbraw/zinc/64/13/85/703641385.db2.gz WLWVQOVWPHFQBJ-SQNIBIBYSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1nn(C)cc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032454524 703641386 /nfs/dbraw/zinc/64/13/86/703641386.db2.gz WLWVQOVWPHFQBJ-SQNIBIBYSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001032454524 703641387 /nfs/dbraw/zinc/64/13/87/703641387.db2.gz WLWVQOVWPHFQBJ-SQNIBIBYSA-N 2 2 345.491 1.388 20 0 EDADLP Cc1nn(C)cc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032454524 703641388 /nfs/dbraw/zinc/64/13/88/703641388.db2.gz WLWVQOVWPHFQBJ-SQNIBIBYSA-N 2 2 345.491 1.388 20 0 EDADLP CC(C)(C)c1noc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000997412586 703668283 /nfs/dbraw/zinc/66/82/83/703668283.db2.gz GSARBQXCXSGBJZ-UHFFFAOYSA-N 2 2 346.435 1.344 20 0 EDADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCn1cccn1 ZINC001032498625 703802082 /nfs/dbraw/zinc/80/20/82/703802082.db2.gz GDIDRNHPYSXWPW-IRXDYDNUSA-N 2 2 336.399 1.130 20 0 EDADLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCn1cccn1 ZINC001032498625 703802084 /nfs/dbraw/zinc/80/20/84/703802084.db2.gz GDIDRNHPYSXWPW-IRXDYDNUSA-N 2 2 336.399 1.130 20 0 EDADLP COCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000997641636 703949438 /nfs/dbraw/zinc/94/94/38/703949438.db2.gz HMWRDHOJFYVVMC-GOEBONIOSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000997648994 703964568 /nfs/dbraw/zinc/96/45/68/703964568.db2.gz MJYTUDXWMDGIJO-GOEBONIOSA-N 2 2 334.464 1.309 20 0 EDADLP Cc1ccccc1OCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004257228 704084551 /nfs/dbraw/zinc/08/45/51/704084551.db2.gz KEPVPUOPIVHYOQ-UHFFFAOYSA-N 2 2 342.443 1.851 20 0 EDADLP Cc1nc(C)c(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)s1 ZINC001004257882 704086004 /nfs/dbraw/zinc/08/60/04/704086004.db2.gz MORDTJYRETUSKF-UHFFFAOYSA-N 2 2 333.461 1.737 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033081681 704136781 /nfs/dbraw/zinc/13/67/81/704136781.db2.gz NKTWBHHTOCYKQD-RDJZCZTQSA-N 2 2 346.475 1.612 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033081681 704136783 /nfs/dbraw/zinc/13/67/83/704136783.db2.gz NKTWBHHTOCYKQD-RDJZCZTQSA-N 2 2 346.475 1.612 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033080134 704145132 /nfs/dbraw/zinc/14/51/32/704145132.db2.gz CYMSTSUMTRNOII-HOTGVXAUSA-N 2 2 348.516 1.826 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC001033080134 704145135 /nfs/dbraw/zinc/14/51/35/704145135.db2.gz CYMSTSUMTRNOII-HOTGVXAUSA-N 2 2 348.516 1.826 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033093194 704169857 /nfs/dbraw/zinc/16/98/57/704169857.db2.gz YDBVWHYBKKZOIB-HYVNUMGLSA-N 2 2 333.480 1.276 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)n1 ZINC001033093194 704169859 /nfs/dbraw/zinc/16/98/59/704169859.db2.gz YDBVWHYBKKZOIB-HYVNUMGLSA-N 2 2 333.480 1.276 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033093194 704169862 /nfs/dbraw/zinc/16/98/62/704169862.db2.gz YDBVWHYBKKZOIB-HYVNUMGLSA-N 2 2 333.480 1.276 20 0 EDADLP CCn1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001033093194 704169865 /nfs/dbraw/zinc/16/98/65/704169865.db2.gz YDBVWHYBKKZOIB-HYVNUMGLSA-N 2 2 333.480 1.276 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC001061481041 704277469 /nfs/dbraw/zinc/27/74/69/704277469.db2.gz VQEWWPCMKXMTLV-DLBZAZTESA-N 2 2 345.491 1.971 20 0 EDADLP Cc1nc(N2CCC[C@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC001061481041 704277471 /nfs/dbraw/zinc/27/74/71/704277471.db2.gz VQEWWPCMKXMTLV-DLBZAZTESA-N 2 2 345.491 1.971 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999301900 706805226 /nfs/dbraw/zinc/80/52/26/706805226.db2.gz DRTIASWEOWJWDM-HUUCEWRRSA-N 2 2 335.452 1.333 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999301900 706805227 /nfs/dbraw/zinc/80/52/27/706805227.db2.gz DRTIASWEOWJWDM-HUUCEWRRSA-N 2 2 335.452 1.333 20 0 EDADLP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC000999314982 706816386 /nfs/dbraw/zinc/81/63/86/706816386.db2.gz GWKFLLQCSYJMLT-QGZVFWFLSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC000999314982 706816388 /nfs/dbraw/zinc/81/63/88/706816388.db2.gz GWKFLLQCSYJMLT-QGZVFWFLSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC000995610049 704576182 /nfs/dbraw/zinc/57/61/82/704576182.db2.gz YCNAZEIONBAWTK-IRXDYDNUSA-N 2 2 346.475 1.047 20 0 EDADLP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995610049 704576185 /nfs/dbraw/zinc/57/61/85/704576185.db2.gz YCNAZEIONBAWTK-IRXDYDNUSA-N 2 2 346.475 1.047 20 0 EDADLP C[C@@H]1C[C@H](C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)CCO1 ZINC000997732187 704623663 /nfs/dbraw/zinc/62/36/63/704623663.db2.gz DDCJWJCQJRLSAD-NVXWUHKLSA-N 2 2 348.491 1.986 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997868544 704774129 /nfs/dbraw/zinc/77/41/29/704774129.db2.gz WEWIVTPYYDCWLX-DZGCQCFKSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997868544 704774131 /nfs/dbraw/zinc/77/41/31/704774131.db2.gz WEWIVTPYYDCWLX-DZGCQCFKSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)n1 ZINC000944963538 704829724 /nfs/dbraw/zinc/82/97/24/704829724.db2.gz BOQSKCUVQGSCAM-WFASDCNBSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)n1 ZINC000944963538 704829726 /nfs/dbraw/zinc/82/97/26/704829726.db2.gz BOQSKCUVQGSCAM-WFASDCNBSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2nccc(C)n2)C[C@H]1C ZINC000944964169 704831632 /nfs/dbraw/zinc/83/16/32/704831632.db2.gz GVMVGMCJZOGOMC-CJNGLKHVSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2nccc(C)n2)C[C@H]1C ZINC000944964169 704831635 /nfs/dbraw/zinc/83/16/35/704831635.db2.gz GVMVGMCJZOGOMC-CJNGLKHVSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+][C@H](C)c2csnn2)CC1 ZINC000997916937 704976321 /nfs/dbraw/zinc/97/63/21/704976321.db2.gz WXKLLEUEKXOFSC-CYBMUJFWSA-N 2 2 348.476 1.632 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2nncn2C)CC1 ZINC000997949741 705075925 /nfs/dbraw/zinc/07/59/25/705075925.db2.gz OIIXSXAHFLYXAM-HOTGVXAUSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2nncn2C)CC1 ZINC000997949741 705075932 /nfs/dbraw/zinc/07/59/32/705075932.db2.gz OIIXSXAHFLYXAM-HOTGVXAUSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2nncn2C)CC1 ZINC000997949741 705075935 /nfs/dbraw/zinc/07/59/35/705075935.db2.gz OIIXSXAHFLYXAM-HOTGVXAUSA-N 2 2 348.495 1.112 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCC[NH+](Cc2nncn2C)CC1 ZINC000997949741 705075941 /nfs/dbraw/zinc/07/59/41/705075941.db2.gz OIIXSXAHFLYXAM-HOTGVXAUSA-N 2 2 348.495 1.112 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)nc1 ZINC000998116464 705371361 /nfs/dbraw/zinc/37/13/61/705371361.db2.gz TYWVAVIHGOUPGM-UHFFFAOYSA-N 2 2 328.420 1.079 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC000921505780 705447200 /nfs/dbraw/zinc/44/72/00/705447200.db2.gz BIPDKHBPVUUANX-IYBDPMFKSA-N 2 2 333.476 1.977 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 ZINC000921505780 705447202 /nfs/dbraw/zinc/44/72/02/705447202.db2.gz BIPDKHBPVUUANX-IYBDPMFKSA-N 2 2 333.476 1.977 20 0 EDADLP COc1cc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)ccn1 ZINC000998183176 705482228 /nfs/dbraw/zinc/48/22/28/705482228.db2.gz NMVYOJJILWZIRQ-UHFFFAOYSA-N 2 2 343.431 1.384 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000998244693 705590662 /nfs/dbraw/zinc/59/06/62/705590662.db2.gz NSUBPAFDDQEXTD-INIZCTEOSA-N 2 2 348.491 1.904 20 0 EDADLP Cc1conc1C[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000998244849 705591562 /nfs/dbraw/zinc/59/15/62/705591562.db2.gz PEHCMJIHJKDCHU-UHFFFAOYSA-N 2 2 331.420 1.585 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000998988887 706420438 /nfs/dbraw/zinc/42/04/38/706420438.db2.gz OKEXMKNIDJRZNA-UHFFFAOYSA-N 2 2 338.415 1.689 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998990140 706421768 /nfs/dbraw/zinc/42/17/68/706421768.db2.gz ZFMYNEKEIBCHQL-UHFFFAOYSA-N 2 2 338.415 1.689 20 0 EDADLP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999005845 706446191 /nfs/dbraw/zinc/44/61/91/706446191.db2.gz VVNACJFIGORKAV-WLYUNCDWSA-N 2 2 343.431 1.521 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999420397 706926117 /nfs/dbraw/zinc/92/61/17/706926117.db2.gz KSHXGSKJGLRGJF-NWANDNLSSA-N 2 2 345.472 1.793 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999420397 706926118 /nfs/dbraw/zinc/92/61/18/706926118.db2.gz KSHXGSKJGLRGJF-NWANDNLSSA-N 2 2 345.472 1.793 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999473562 706982586 /nfs/dbraw/zinc/98/25/86/706982586.db2.gz PAMFMZGLTGSWGB-UHFFFAOYSA-N 2 2 329.404 1.597 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000999495911 707032529 /nfs/dbraw/zinc/03/25/29/707032529.db2.gz MFHPPYBSBKIZRP-HOCLYGCPSA-N 2 2 333.432 1.250 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000999551008 707050138 /nfs/dbraw/zinc/05/01/38/707050138.db2.gz XQSIOOPZCJSTPY-KBPBESRZSA-N 2 2 345.472 1.683 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](CNc3cc(C)[nH+]c(C)n3)C2)C1 ZINC001060883139 707079620 /nfs/dbraw/zinc/07/96/20/707079620.db2.gz ZBZWSEQOSJIXIJ-HOTGVXAUSA-N 2 2 347.463 1.075 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](CNc3cc(C)[nH+]c(C)n3)C2)C1 ZINC001060883139 707079623 /nfs/dbraw/zinc/07/96/23/707079623.db2.gz ZBZWSEQOSJIXIJ-HOTGVXAUSA-N 2 2 347.463 1.075 20 0 EDADLP Cc1nonc1C[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999623169 707145096 /nfs/dbraw/zinc/14/50/96/707145096.db2.gz WCIJFIIBJDCCES-AWEZNQCLSA-N 2 2 340.387 1.420 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)c3cccc4[nH+]ccn43)C2)cn1 ZINC000999681670 707166695 /nfs/dbraw/zinc/16/66/95/707166695.db2.gz KRQORFKWOAOESQ-HNNXBMFYSA-N 2 2 338.415 1.462 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)c[nH+]1 ZINC001033190435 707391091 /nfs/dbraw/zinc/39/10/91/707391091.db2.gz HSOXPRBLQKTENM-CVEARBPZSA-N 2 2 334.464 1.496 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)c[nH+]1 ZINC001033190435 707391098 /nfs/dbraw/zinc/39/10/98/707391098.db2.gz HSOXPRBLQKTENM-CVEARBPZSA-N 2 2 334.464 1.496 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999789249 707406763 /nfs/dbraw/zinc/40/67/63/707406763.db2.gz GJCNDDXJGCLJNL-DOTOQJQBSA-N 2 2 347.463 1.333 20 0 EDADLP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999842802 707416271 /nfs/dbraw/zinc/41/62/71/707416271.db2.gz QPFSACYLGWMYMB-OAHLLOKOSA-N 2 2 328.420 1.152 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001033199802 707453896 /nfs/dbraw/zinc/45/38/96/707453896.db2.gz YTDOPDFBGNATLI-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001033199802 707453899 /nfs/dbraw/zinc/45/38/99/707453899.db2.gz YTDOPDFBGNATLI-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001033199802 707453901 /nfs/dbraw/zinc/45/39/01/707453901.db2.gz YTDOPDFBGNATLI-IAGOWNOFSA-N 2 2 346.475 1.607 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999836591 707472386 /nfs/dbraw/zinc/47/23/86/707472386.db2.gz NBIHLSYUVAJXLP-SFHVURJKSA-N 2 2 342.443 1.546 20 0 EDADLP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)ccn1 ZINC000999837141 707473614 /nfs/dbraw/zinc/47/36/14/707473614.db2.gz PYAJIRBGUZKHTK-MRXNPFEDSA-N 2 2 343.431 1.458 20 0 EDADLP CCc1nnc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999875597 707521358 /nfs/dbraw/zinc/52/13/58/707521358.db2.gz GPCVCLJNBLQXOA-AWEZNQCLSA-N 2 2 349.479 1.587 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999882703 707535353 /nfs/dbraw/zinc/53/53/53/707535353.db2.gz OWTIXDKUEIMYBD-UKRRQHHQSA-N 2 2 349.479 1.894 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815785 707565521 /nfs/dbraw/zinc/56/55/21/707565521.db2.gz OTTHXIYRLFEQEV-FPCVCCKLSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC[C@@H]2C1 ZINC000946815785 707565524 /nfs/dbraw/zinc/56/55/24/707565524.db2.gz OTTHXIYRLFEQEV-FPCVCCKLSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815785 707565525 /nfs/dbraw/zinc/56/55/25/707565525.db2.gz OTTHXIYRLFEQEV-FPCVCCKLSA-N 2 2 334.464 1.140 20 0 EDADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946815785 707565527 /nfs/dbraw/zinc/56/55/27/707565527.db2.gz OTTHXIYRLFEQEV-FPCVCCKLSA-N 2 2 334.464 1.140 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ncccn1 ZINC001004900217 707585705 /nfs/dbraw/zinc/58/57/05/707585705.db2.gz ZALURRPCDCZZAL-CVEARBPZSA-N 2 2 342.447 1.541 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)c3occc3C[NH+](C)C)C2)o1 ZINC001033365623 707660093 /nfs/dbraw/zinc/66/00/93/707660093.db2.gz IVEQDKIGZWDBSF-HNNXBMFYSA-N 2 2 346.431 1.984 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)c3occc3C[NH+](C)C)C2)o1 ZINC001033365623 707660096 /nfs/dbraw/zinc/66/00/96/707660096.db2.gz IVEQDKIGZWDBSF-HNNXBMFYSA-N 2 2 346.431 1.984 20 0 EDADLP CCc1nnc([C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033395663 707733206 /nfs/dbraw/zinc/73/32/06/707733206.db2.gz JIQZQZVSCDQJJV-ZFWWWQNUSA-N 2 2 349.479 1.568 20 0 EDADLP CCc1nnc([C@H](C)[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033395663 707733210 /nfs/dbraw/zinc/73/32/10/707733210.db2.gz JIQZQZVSCDQJJV-ZFWWWQNUSA-N 2 2 349.479 1.568 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032733153 707740902 /nfs/dbraw/zinc/74/09/02/707740902.db2.gz MDSHLMWVDLGGKW-IRXDYDNUSA-N 2 2 332.448 1.064 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032733153 707740906 /nfs/dbraw/zinc/74/09/06/707740906.db2.gz MDSHLMWVDLGGKW-IRXDYDNUSA-N 2 2 332.448 1.064 20 0 EDADLP Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032734110 707743527 /nfs/dbraw/zinc/74/35/27/707743527.db2.gz XOEBAXREQRVBEK-GJZGRUSLSA-N 2 2 346.500 1.641 20 0 EDADLP Cc1nsc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032734110 707743530 /nfs/dbraw/zinc/74/35/30/707743530.db2.gz XOEBAXREQRVBEK-GJZGRUSLSA-N 2 2 346.500 1.641 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)cc1)C12CC[NH+](CC1)C2 ZINC001032733901 707748283 /nfs/dbraw/zinc/74/82/83/707748283.db2.gz MACAFVBJKWWDHL-IRXDYDNUSA-N 2 2 329.419 1.707 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)cc1)C12CC[NH+](CC1)C2 ZINC001032733901 707748287 /nfs/dbraw/zinc/74/82/87/707748287.db2.gz MACAFVBJKWWDHL-IRXDYDNUSA-N 2 2 329.419 1.707 20 0 EDADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001004959411 707771244 /nfs/dbraw/zinc/77/12/44/707771244.db2.gz YSOILHPCJOXUEG-WFASDCNBSA-N 2 2 347.419 1.508 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)ncn1 ZINC001004962406 707785767 /nfs/dbraw/zinc/78/57/67/707785767.db2.gz CAIPGFHLPVSJOI-HOCLYGCPSA-N 2 2 342.447 1.610 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1C ZINC001033418387 707802413 /nfs/dbraw/zinc/80/24/13/707802413.db2.gz BXQQMCYHYDJJLL-PBHICJAKSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1C ZINC001033418387 707802416 /nfs/dbraw/zinc/80/24/16/707802416.db2.gz BXQQMCYHYDJJLL-PBHICJAKSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)nn1C ZINC001033418387 707802420 /nfs/dbraw/zinc/80/24/20/707802420.db2.gz BXQQMCYHYDJJLL-PBHICJAKSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)nn1C ZINC001033418387 707802422 /nfs/dbraw/zinc/80/24/22/707802422.db2.gz BXQQMCYHYDJJLL-PBHICJAKSA-N 2 2 333.480 1.103 20 0 EDADLP C[C@H]([NH2+]CC1CCOCC1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004976321 707810238 /nfs/dbraw/zinc/81/02/38/707810238.db2.gz FGIZCCAKLZFECX-MAUKXSAKSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccon1 ZINC001004991303 707855549 /nfs/dbraw/zinc/85/55/49/707855549.db2.gz LCEJLPGQLDNBLR-XJKSGUPXSA-N 2 2 331.420 1.739 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001033459087 707910292 /nfs/dbraw/zinc/91/02/92/707910292.db2.gz XLWIWGYQQDMCOR-DLBZAZTESA-N 2 2 346.406 1.358 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001033459087 707910294 /nfs/dbraw/zinc/91/02/94/707910294.db2.gz XLWIWGYQQDMCOR-DLBZAZTESA-N 2 2 346.406 1.358 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)o1 ZINC001032781529 707968902 /nfs/dbraw/zinc/96/89/02/707968902.db2.gz YPHNQIBYISWWSA-KKUMJFAQSA-N 2 2 332.448 1.282 20 0 EDADLP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)o1 ZINC001032781529 707968904 /nfs/dbraw/zinc/96/89/04/707968904.db2.gz YPHNQIBYISWWSA-KKUMJFAQSA-N 2 2 332.448 1.282 20 0 EDADLP CCc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001032781529 707968906 /nfs/dbraw/zinc/96/89/06/707968906.db2.gz YPHNQIBYISWWSA-KKUMJFAQSA-N 2 2 332.448 1.282 20 0 EDADLP CCc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001032781529 707968909 /nfs/dbraw/zinc/96/89/09/707968909.db2.gz YPHNQIBYISWWSA-KKUMJFAQSA-N 2 2 332.448 1.282 20 0 EDADLP Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)o1 ZINC001000522821 708039671 /nfs/dbraw/zinc/03/96/71/708039671.db2.gz SKLDPVZQECBKGT-HOCLYGCPSA-N 2 2 332.448 1.887 20 0 EDADLP Cc1cnc([C@H](C)[N@@H+]2CC=C(CNC(=O)[C@@H]3CCC[NH+]3C)CC2)o1 ZINC001000522821 708039672 /nfs/dbraw/zinc/03/96/72/708039672.db2.gz SKLDPVZQECBKGT-HOCLYGCPSA-N 2 2 332.448 1.887 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC=C(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001000522821 708039673 /nfs/dbraw/zinc/03/96/73/708039673.db2.gz SKLDPVZQECBKGT-HOCLYGCPSA-N 2 2 332.448 1.887 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CC=C(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001000522821 708039675 /nfs/dbraw/zinc/03/96/75/708039675.db2.gz SKLDPVZQECBKGT-HOCLYGCPSA-N 2 2 332.448 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC=C(CNC(=O)[C@@H]3CCCC[N@H+]3C)CC2)co1 ZINC001000850506 708072961 /nfs/dbraw/zinc/07/29/61/708072961.db2.gz KJMUCRSRSFZGMH-KRWDZBQOSA-N 2 2 332.448 1.716 20 0 EDADLP Cc1nc(C[NH+]2CC=C(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)co1 ZINC001000850506 708072962 /nfs/dbraw/zinc/07/29/62/708072962.db2.gz KJMUCRSRSFZGMH-KRWDZBQOSA-N 2 2 332.448 1.716 20 0 EDADLP Cc1nc(C[N@H+]2CC=C(CNC(=O)[C@@H]3CCCC[NH+]3C)CC2)co1 ZINC001000850506 708072964 /nfs/dbraw/zinc/07/29/64/708072964.db2.gz KJMUCRSRSFZGMH-KRWDZBQOSA-N 2 2 332.448 1.716 20 0 EDADLP Cc1nc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CCCC[NH+]3C)CC2)co1 ZINC001000850506 708072966 /nfs/dbraw/zinc/07/29/66/708072966.db2.gz KJMUCRSRSFZGMH-KRWDZBQOSA-N 2 2 332.448 1.716 20 0 EDADLP Cc1nnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC001001758396 708282366 /nfs/dbraw/zinc/28/23/66/708282366.db2.gz CHAAILILRFGLKG-BBRMVZONSA-N 2 2 348.495 1.172 20 0 EDADLP Cc1nnc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC001001758396 708282370 /nfs/dbraw/zinc/28/23/70/708282370.db2.gz CHAAILILRFGLKG-BBRMVZONSA-N 2 2 348.495 1.172 20 0 EDADLP CC(C)n1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033596127 708300907 /nfs/dbraw/zinc/30/09/07/708300907.db2.gz WHQONIFZTOFRMB-KRWDZBQOSA-N 2 2 345.491 1.593 20 0 EDADLP CC(C)n1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033596127 708300911 /nfs/dbraw/zinc/30/09/11/708300911.db2.gz WHQONIFZTOFRMB-KRWDZBQOSA-N 2 2 345.491 1.593 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001033664110 708445290 /nfs/dbraw/zinc/44/52/90/708445290.db2.gz COCZTTCWLFDBGV-HIFRSBDPSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001033664110 708445291 /nfs/dbraw/zinc/44/52/91/708445291.db2.gz COCZTTCWLFDBGV-HIFRSBDPSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001033664110 708445294 /nfs/dbraw/zinc/44/52/94/708445294.db2.gz COCZTTCWLFDBGV-HIFRSBDPSA-N 2 2 336.867 1.719 20 0 EDADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001033664110 708445296 /nfs/dbraw/zinc/44/52/96/708445296.db2.gz COCZTTCWLFDBGV-HIFRSBDPSA-N 2 2 336.867 1.719 20 0 EDADLP COc1ncccc1C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664467 708446098 /nfs/dbraw/zinc/44/60/98/708446098.db2.gz GZKMNOGYCYQFHF-INIZCTEOSA-N 2 2 343.431 1.328 20 0 EDADLP COc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664467 708446100 /nfs/dbraw/zinc/44/61/00/708446100.db2.gz GZKMNOGYCYQFHF-INIZCTEOSA-N 2 2 343.431 1.328 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033669892 708459685 /nfs/dbraw/zinc/45/96/85/708459685.db2.gz RWLOFWDQXWVDFJ-HNNXBMFYSA-N 2 2 345.447 1.783 20 0 EDADLP CCc1onc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033669892 708459688 /nfs/dbraw/zinc/45/96/88/708459688.db2.gz RWLOFWDQXWVDFJ-HNNXBMFYSA-N 2 2 345.447 1.783 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001033705016 708534345 /nfs/dbraw/zinc/53/43/45/708534345.db2.gz CORXCKLKAFOEEM-WMLDXEAASA-N 2 2 346.406 1.289 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC001033705016 708534347 /nfs/dbraw/zinc/53/43/47/708534347.db2.gz CORXCKLKAFOEEM-WMLDXEAASA-N 2 2 346.406 1.289 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(OC)nn2)C1 ZINC001033777294 708704768 /nfs/dbraw/zinc/70/47/68/708704768.db2.gz UPQKAUXKMMVHPG-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(OC)nn2)C1 ZINC001033777294 708704770 /nfs/dbraw/zinc/70/47/70/708704770.db2.gz UPQKAUXKMMVHPG-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(OC)nn2)C1 ZINC001033777294 708704772 /nfs/dbraw/zinc/70/47/72/708704772.db2.gz UPQKAUXKMMVHPG-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(OC)nn2)C1 ZINC001033777294 708704774 /nfs/dbraw/zinc/70/47/74/708704774.db2.gz UPQKAUXKMMVHPG-HOTGVXAUSA-N 2 2 347.463 1.002 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033790439 708715176 /nfs/dbraw/zinc/71/51/76/708715176.db2.gz WCZAGPUAAVHFJA-JKSUJKDBSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033790439 708715172 /nfs/dbraw/zinc/71/51/72/708715172.db2.gz WCZAGPUAAVHFJA-JKSUJKDBSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033790439 708715174 /nfs/dbraw/zinc/71/51/74/708715174.db2.gz WCZAGPUAAVHFJA-JKSUJKDBSA-N 2 2 325.497 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001033790439 708715180 /nfs/dbraw/zinc/71/51/80/708715180.db2.gz WCZAGPUAAVHFJA-JKSUJKDBSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1nnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC001005385754 708827476 /nfs/dbraw/zinc/82/74/76/708827476.db2.gz VIZFVRUBGSDVEG-MRXNPFEDSA-N 2 2 349.479 1.674 20 0 EDADLP Cc1nnc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)o1 ZINC001005385754 708827479 /nfs/dbraw/zinc/82/74/79/708827479.db2.gz VIZFVRUBGSDVEG-MRXNPFEDSA-N 2 2 349.479 1.674 20 0 EDADLP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2nccs2)CC1 ZINC001005399992 708886933 /nfs/dbraw/zinc/88/69/33/708886933.db2.gz XJJOGPZEWMGWFQ-INIZCTEOSA-N 2 2 348.516 1.908 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001033871107 708959977 /nfs/dbraw/zinc/95/99/77/708959977.db2.gz BYDZLURIVHDJEP-TZMCWYRMSA-N 2 2 343.431 1.234 20 0 EDADLP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001033871107 708959980 /nfs/dbraw/zinc/95/99/80/708959980.db2.gz BYDZLURIVHDJEP-TZMCWYRMSA-N 2 2 343.431 1.234 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001034012297 709225661 /nfs/dbraw/zinc/22/56/61/709225661.db2.gz FBXGAKHDZJHYSD-MRXNPFEDSA-N 2 2 332.448 1.502 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001034012297 709225666 /nfs/dbraw/zinc/22/56/66/709225666.db2.gz FBXGAKHDZJHYSD-MRXNPFEDSA-N 2 2 332.448 1.502 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C/C=C\Cl)C1)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032826977 709244843 /nfs/dbraw/zinc/24/48/43/709244843.db2.gz BJVVXBGBGLEGKX-CORAAFHQSA-N 2 2 341.883 1.573 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C/C=C\Cl)C1)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032826977 709244847 /nfs/dbraw/zinc/24/48/47/709244847.db2.gz BJVVXBGBGLEGKX-CORAAFHQSA-N 2 2 341.883 1.573 20 0 EDADLP O=C(N[C@H]1CC[NH+](C/C=C\Cl)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032826977 709244848 /nfs/dbraw/zinc/24/48/48/709244848.db2.gz BJVVXBGBGLEGKX-CORAAFHQSA-N 2 2 341.883 1.573 20 0 EDADLP O=C(N[C@H]1CC[NH+](C/C=C\Cl)C1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001032826977 709244851 /nfs/dbraw/zinc/24/48/51/709244851.db2.gz BJVVXBGBGLEGKX-CORAAFHQSA-N 2 2 341.883 1.573 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC001034039741 709272335 /nfs/dbraw/zinc/27/23/35/709272335.db2.gz LMELZKAGXWRQIH-AEFFLSMTSA-N 2 2 347.507 1.839 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC001034039741 709272336 /nfs/dbraw/zinc/27/23/36/709272336.db2.gz LMELZKAGXWRQIH-AEFFLSMTSA-N 2 2 347.507 1.839 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccn(C(C)C)n2)C1 ZINC001034039741 709272337 /nfs/dbraw/zinc/27/23/37/709272337.db2.gz LMELZKAGXWRQIH-AEFFLSMTSA-N 2 2 347.507 1.839 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccn(C(C)C)n2)C1 ZINC001034039741 709272338 /nfs/dbraw/zinc/27/23/38/709272338.db2.gz LMELZKAGXWRQIH-AEFFLSMTSA-N 2 2 347.507 1.839 20 0 EDADLP COc1ccc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)nn1 ZINC001034139143 709389163 /nfs/dbraw/zinc/38/91/63/709389163.db2.gz RHHZDIFZLSTVAU-ZBFHGGJFSA-N 2 2 347.463 1.050 20 0 EDADLP COc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)nn1 ZINC001034139143 709389165 /nfs/dbraw/zinc/38/91/65/709389165.db2.gz RHHZDIFZLSTVAU-ZBFHGGJFSA-N 2 2 347.463 1.050 20 0 EDADLP COc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001034139143 709389167 /nfs/dbraw/zinc/38/91/67/709389167.db2.gz RHHZDIFZLSTVAU-ZBFHGGJFSA-N 2 2 347.463 1.050 20 0 EDADLP COc1ccc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001034139143 709389170 /nfs/dbraw/zinc/38/91/70/709389170.db2.gz RHHZDIFZLSTVAU-ZBFHGGJFSA-N 2 2 347.463 1.050 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001002790939 709398489 /nfs/dbraw/zinc/39/84/89/709398489.db2.gz CPHSEGIGQUHYAT-QGZVFWFLSA-N 2 2 347.507 1.856 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002790939 709398492 /nfs/dbraw/zinc/39/84/92/709398492.db2.gz CPHSEGIGQUHYAT-QGZVFWFLSA-N 2 2 347.507 1.856 20 0 EDADLP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034270937 709676811 /nfs/dbraw/zinc/67/68/11/709676811.db2.gz KBXGVDAWUYGCPB-DLBZAZTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034270937 709676814 /nfs/dbraw/zinc/67/68/14/709676814.db2.gz KBXGVDAWUYGCPB-DLBZAZTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034270937 709676816 /nfs/dbraw/zinc/67/68/16/709676816.db2.gz KBXGVDAWUYGCPB-DLBZAZTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1oncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034270937 709676820 /nfs/dbraw/zinc/67/68/20/709676820.db2.gz KBXGVDAWUYGCPB-DLBZAZTESA-N 2 2 334.464 1.938 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)nn1C ZINC001034271469 709678353 /nfs/dbraw/zinc/67/83/53/709678353.db2.gz NCBYWQQSAGPSAV-FUHWJXTLSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)nn1C ZINC001034271469 709678356 /nfs/dbraw/zinc/67/83/56/709678356.db2.gz NCBYWQQSAGPSAV-FUHWJXTLSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1C ZINC001034271469 709678360 /nfs/dbraw/zinc/67/83/60/709678360.db2.gz NCBYWQQSAGPSAV-FUHWJXTLSA-N 2 2 347.507 1.684 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)nn1C ZINC001034271469 709678364 /nfs/dbraw/zinc/67/83/64/709678364.db2.gz NCBYWQQSAGPSAV-FUHWJXTLSA-N 2 2 347.507 1.684 20 0 EDADLP COC[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282676 709701166 /nfs/dbraw/zinc/70/11/66/709701166.db2.gz RDVXSSAFFRLLHX-KBPBESRZSA-N 2 2 338.452 1.355 20 0 EDADLP COC[C@H](C)[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034282676 709701167 /nfs/dbraw/zinc/70/11/67/709701167.db2.gz RDVXSSAFFRLLHX-KBPBESRZSA-N 2 2 338.452 1.355 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001034309166 709750770 /nfs/dbraw/zinc/75/07/70/709750770.db2.gz JAFPCUWNMROKMQ-MRXNPFEDSA-N 2 2 344.463 1.404 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001034309166 709750775 /nfs/dbraw/zinc/75/07/75/709750775.db2.gz JAFPCUWNMROKMQ-MRXNPFEDSA-N 2 2 344.463 1.404 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034310484 709753684 /nfs/dbraw/zinc/75/36/84/709753684.db2.gz YNTAMMCEIGPRQK-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001034310484 709753686 /nfs/dbraw/zinc/75/36/86/709753686.db2.gz YNTAMMCEIGPRQK-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ncccn3)CC2)C1 ZINC001003008330 709769203 /nfs/dbraw/zinc/76/92/03/709769203.db2.gz MYASDQUYKPGQPG-MRXNPFEDSA-N 2 2 345.491 1.535 20 0 EDADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ncccn3)CC2)C1 ZINC001003008330 709769205 /nfs/dbraw/zinc/76/92/05/709769205.db2.gz MYASDQUYKPGQPG-MRXNPFEDSA-N 2 2 345.491 1.535 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003011658 709783642 /nfs/dbraw/zinc/78/36/42/709783642.db2.gz PHFKXKATLVTSID-KRWDZBQOSA-N 2 2 347.507 1.764 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003011658 709783647 /nfs/dbraw/zinc/78/36/47/709783647.db2.gz PHFKXKATLVTSID-KRWDZBQOSA-N 2 2 347.507 1.764 20 0 EDADLP Cn1nncc1C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339363 709801222 /nfs/dbraw/zinc/80/12/22/709801222.db2.gz DEZNFVSGCOUFAT-OAHLLOKOSA-N 2 2 348.495 1.160 20 0 EDADLP Cn1nncc1C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339363 709801227 /nfs/dbraw/zinc/80/12/27/709801227.db2.gz DEZNFVSGCOUFAT-OAHLLOKOSA-N 2 2 348.495 1.160 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)co1 ZINC001034384708 709912082 /nfs/dbraw/zinc/91/20/82/709912082.db2.gz GODHMNHXMISNTH-MRXNPFEDSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)co1 ZINC001034384708 709912086 /nfs/dbraw/zinc/91/20/86/709912086.db2.gz GODHMNHXMISNTH-MRXNPFEDSA-N 2 2 334.464 1.796 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)C12CCC[NH+](CCC1)C2 ZINC001003135238 710021078 /nfs/dbraw/zinc/02/10/78/710021078.db2.gz SDCRXWWDARYWEM-UHFFFAOYSA-N 2 2 349.504 1.495 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](CCF)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001034467891 710046443 /nfs/dbraw/zinc/04/64/43/710046443.db2.gz OPGWITIINZOCRB-OAHLLOKOSA-N 2 2 331.395 1.821 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](CCF)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001034467891 710046450 /nfs/dbraw/zinc/04/64/50/710046450.db2.gz OPGWITIINZOCRB-OAHLLOKOSA-N 2 2 331.395 1.821 20 0 EDADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034481815 710096665 /nfs/dbraw/zinc/09/66/65/710096665.db2.gz WUBNDAYJUMKUNI-CVEARBPZSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CC(N)=O)C1 ZINC001034481815 710096671 /nfs/dbraw/zinc/09/66/71/710096671.db2.gz WUBNDAYJUMKUNI-CVEARBPZSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC(N)=O)C1 ZINC001034481815 710096677 /nfs/dbraw/zinc/09/66/77/710096677.db2.gz WUBNDAYJUMKUNI-CVEARBPZSA-N 2 2 338.496 1.097 20 0 EDADLP CCCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC(N)=O)C1 ZINC001034481815 710096682 /nfs/dbraw/zinc/09/66/82/710096682.db2.gz WUBNDAYJUMKUNI-CVEARBPZSA-N 2 2 338.496 1.097 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1)OC ZINC001003192070 710105415 /nfs/dbraw/zinc/10/54/15/710105415.db2.gz DFLWWXYQUDAUOT-YOEHRIQHSA-N 2 2 334.464 1.451 20 0 EDADLP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)o1 ZINC001003193580 710128305 /nfs/dbraw/zinc/12/83/05/710128305.db2.gz NPGDIODYLPHAKA-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)oc1C ZINC001034524545 710173995 /nfs/dbraw/zinc/17/39/95/710173995.db2.gz HIYTVTIJBVIWHR-CVEARBPZSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)oc1C ZINC001034524545 710173996 /nfs/dbraw/zinc/17/39/96/710173996.db2.gz HIYTVTIJBVIWHR-CVEARBPZSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)oc1C ZINC001034524545 710173997 /nfs/dbraw/zinc/17/39/97/710173997.db2.gz HIYTVTIJBVIWHR-CVEARBPZSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)oc1C ZINC001034524545 710173998 /nfs/dbraw/zinc/17/39/98/710173998.db2.gz HIYTVTIJBVIWHR-CVEARBPZSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](Cc2cncs2)C1 ZINC001034529605 710184757 /nfs/dbraw/zinc/18/47/57/710184757.db2.gz KHCDRNRUUHIUJY-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cncs2)C1 ZINC001034529605 710184758 /nfs/dbraw/zinc/18/47/58/710184758.db2.gz KHCDRNRUUHIUJY-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001003634366 710461882 /nfs/dbraw/zinc/46/18/82/710461882.db2.gz JRNXIYJLLMOFCU-XJKSGUPXSA-N 2 2 334.464 1.515 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001003634366 710461884 /nfs/dbraw/zinc/46/18/84/710461884.db2.gz JRNXIYJLLMOFCU-XJKSGUPXSA-N 2 2 334.464 1.515 20 0 EDADLP COCc1ccc(C[NH+]2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001003701163 710495179 /nfs/dbraw/zinc/49/51/79/710495179.db2.gz OYSQNOVQPBSRPN-UHFFFAOYSA-N 2 2 342.443 1.879 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC001003705535 710503611 /nfs/dbraw/zinc/50/36/11/710503611.db2.gz PDDPILDWGIMEGY-GFCCVEGCSA-N 2 2 326.391 1.968 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)o1 ZINC001003776225 710545239 /nfs/dbraw/zinc/54/52/39/710545239.db2.gz LDHOKHSJTSFIAJ-JKSUJKDBSA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nnc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)o1 ZINC001003776225 710545240 /nfs/dbraw/zinc/54/52/40/710545240.db2.gz LDHOKHSJTSFIAJ-JKSUJKDBSA-N 2 2 347.463 1.476 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001003895241 710860985 /nfs/dbraw/zinc/86/09/85/710860985.db2.gz HETQJKZDJFLKIL-CQSZACIVSA-N 2 2 328.416 1.447 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)n1 ZINC001034746177 710968494 /nfs/dbraw/zinc/96/84/94/710968494.db2.gz UHLKWLGQMFQFTE-SHTZXODSSA-N 2 2 344.463 1.947 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001034763472 711034819 /nfs/dbraw/zinc/03/48/19/711034819.db2.gz JPZNEASBDQSWFH-SHTZXODSSA-N 2 2 343.431 1.573 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034775517 711049076 /nfs/dbraw/zinc/04/90/76/711049076.db2.gz BTHSYCJXVDNCQK-WKILWMFISA-N 2 2 334.464 1.406 20 0 EDADLP COc1cccc(C[NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)n1 ZINC001003969801 711118180 /nfs/dbraw/zinc/11/81/80/711118180.db2.gz COMWXQVIPAVISQ-UHFFFAOYSA-N 2 2 343.431 1.147 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC001034801030 711140558 /nfs/dbraw/zinc/14/05/58/711140558.db2.gz FIURHBZKDXEEJH-HDJSIYSDSA-N 2 2 343.435 1.096 20 0 EDADLP Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)n1 ZINC001034935995 711364533 /nfs/dbraw/zinc/36/45/33/711364533.db2.gz GGAVMZZPVRZDNN-HUUCEWRRSA-N 2 2 335.452 1.331 20 0 EDADLP Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001034935995 711364535 /nfs/dbraw/zinc/36/45/35/711364535.db2.gz GGAVMZZPVRZDNN-HUUCEWRRSA-N 2 2 335.452 1.331 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001004053723 711376093 /nfs/dbraw/zinc/37/60/93/711376093.db2.gz PTMHSDPABPYZJA-UHFFFAOYSA-N 2 2 326.391 1.887 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)nn1 ZINC001034924096 711387601 /nfs/dbraw/zinc/38/76/01/711387601.db2.gz KCARPSAXZPGAHJ-OAHLLOKOSA-N 2 2 345.451 1.296 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001034957364 711429075 /nfs/dbraw/zinc/42/90/75/711429075.db2.gz QCXJREPNLNXECD-TZMCWYRMSA-N 2 2 334.468 1.239 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)co1 ZINC001033143722 711952898 /nfs/dbraw/zinc/95/28/98/711952898.db2.gz KKVQJKWTYUHRJB-SJLPKXTDSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)co1 ZINC001033143722 711952899 /nfs/dbraw/zinc/95/28/99/711952899.db2.gz KKVQJKWTYUHRJB-SJLPKXTDSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)co1 ZINC001033143722 711952901 /nfs/dbraw/zinc/95/29/01/711952901.db2.gz KKVQJKWTYUHRJB-SJLPKXTDSA-N 2 2 348.491 1.994 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)co1 ZINC001033143722 711952904 /nfs/dbraw/zinc/95/29/04/711952904.db2.gz KKVQJKWTYUHRJB-SJLPKXTDSA-N 2 2 348.491 1.994 20 0 EDADLP CC(C)(C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1)c1c[nH+]c[nH]1 ZINC001004596571 712037386 /nfs/dbraw/zinc/03/73/86/712037386.db2.gz NGZPORRUGAGZHZ-MRXNPFEDSA-N 2 2 348.491 1.773 20 0 EDADLP CC(C)(C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1)c1c[nH+]c[nH]1 ZINC001004596571 712037388 /nfs/dbraw/zinc/03/73/88/712037388.db2.gz NGZPORRUGAGZHZ-MRXNPFEDSA-N 2 2 348.491 1.773 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@@H]2CCC[N@@H+]2Cc2cnon2)CC1 ZINC001004627496 712085630 /nfs/dbraw/zinc/08/56/30/712085630.db2.gz ZGOLTYSEQSZIKB-INIZCTEOSA-N 2 2 344.419 1.169 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1CCC([C@@H]2CCC[N@H+]2Cc2cnon2)CC1 ZINC001004627496 712085633 /nfs/dbraw/zinc/08/56/33/712085633.db2.gz ZGOLTYSEQSZIKB-INIZCTEOSA-N 2 2 344.419 1.169 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946638464 712106583 /nfs/dbraw/zinc/10/65/83/712106583.db2.gz LHXIBGDDZDDPJA-GASCZTMLSA-N 2 2 335.423 1.773 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946638464 712106584 /nfs/dbraw/zinc/10/65/84/712106584.db2.gz LHXIBGDDZDDPJA-GASCZTMLSA-N 2 2 335.423 1.773 20 0 EDADLP Cn1cc[nH+]c1[C@H](CC(=O)N1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC000557577573 306229678 /nfs/dbraw/zinc/22/96/78/306229678.db2.gz XYUVUDCHBWXZEU-LBPRGKRZSA-N 2 2 330.354 1.763 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)C1 ZINC000363137396 282191058 /nfs/dbraw/zinc/19/10/58/282191058.db2.gz YLPUKKCQSVBJLL-DLBZAZTESA-N 2 2 336.524 1.536 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000416994149 290678645 /nfs/dbraw/zinc/67/86/45/290678645.db2.gz JNDDRKCCGZXPGN-AEFFLSMTSA-N 2 2 348.491 1.523 20 0 EDADLP CCC(CC)[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)[NH+](C)C ZINC000361018643 282274613 /nfs/dbraw/zinc/27/46/13/282274613.db2.gz OGLQPUSXQGMAFT-INIZCTEOSA-N 2 2 325.497 1.724 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000357213850 282345668 /nfs/dbraw/zinc/34/56/68/282345668.db2.gz SMNRHMLABPLVOQ-ROUUACIJSA-N 2 2 347.528 1.809 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000357213850 282345670 /nfs/dbraw/zinc/34/56/70/282345670.db2.gz SMNRHMLABPLVOQ-ROUUACIJSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000357213850 282345672 /nfs/dbraw/zinc/34/56/72/282345672.db2.gz SMNRHMLABPLVOQ-ROUUACIJSA-N 2 2 347.528 1.809 20 0 EDADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000357213850 282345674 /nfs/dbraw/zinc/34/56/74/282345674.db2.gz SMNRHMLABPLVOQ-ROUUACIJSA-N 2 2 347.528 1.809 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000178571087 232263276 /nfs/dbraw/zinc/26/32/76/232263276.db2.gz XRGGACIVFGTFOW-XDNAFOTISA-N 2 2 340.427 1.237 20 0 EDADLP COc1ccc(OC)c(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000560516041 306273058 /nfs/dbraw/zinc/27/30/58/306273058.db2.gz GALCNEGYLSPCPI-FMKPAKJESA-N 2 2 338.448 1.264 20 0 EDADLP CC[N@H+](C)CCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000067002731 215102503 /nfs/dbraw/zinc/10/25/03/215102503.db2.gz NJNLQUMSMCEIML-GOSISDBHSA-N 2 2 348.491 1.619 20 0 EDADLP CC[N@@H+](C)CCNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000067002731 215102504 /nfs/dbraw/zinc/10/25/04/215102504.db2.gz NJNLQUMSMCEIML-GOSISDBHSA-N 2 2 348.491 1.619 20 0 EDADLP CCN(CC)C(=O)C[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000067226863 215125881 /nfs/dbraw/zinc/12/58/81/215125881.db2.gz LQYHOZKQTWYENS-UHFFFAOYSA-N 2 2 348.491 1.693 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000334024674 539664153 /nfs/dbraw/zinc/66/41/53/539664153.db2.gz GISNRQHQKXYKNI-LXTVHRRPSA-N 2 2 331.464 1.721 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)nc[nH+]2)C1 ZINC000334024674 539664158 /nfs/dbraw/zinc/66/41/58/539664158.db2.gz GISNRQHQKXYKNI-LXTVHRRPSA-N 2 2 331.464 1.721 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c[nH+]1 ZINC000334092790 539668037 /nfs/dbraw/zinc/66/80/37/539668037.db2.gz OXMFBPITNCZWNE-PBHICJAKSA-N 2 2 332.448 1.561 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)s1 ZINC000561314059 306287070 /nfs/dbraw/zinc/28/70/70/306287070.db2.gz USBFXMBTRZQRIK-USZNOCQGSA-N 2 2 325.482 1.603 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)s1 ZINC000561314059 306287071 /nfs/dbraw/zinc/28/70/71/306287071.db2.gz USBFXMBTRZQRIK-USZNOCQGSA-N 2 2 325.482 1.603 20 0 EDADLP C[C@H](OCC1CC1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154473693 539798766 /nfs/dbraw/zinc/79/87/66/539798766.db2.gz WBJLGLUZUGUXGN-QTXGHNMQSA-N 2 2 335.492 1.571 20 0 EDADLP C[C@H](OCC1CC1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154473693 539798772 /nfs/dbraw/zinc/79/87/72/539798772.db2.gz WBJLGLUZUGUXGN-QTXGHNMQSA-N 2 2 335.492 1.571 20 0 EDADLP c1[nH+]c2c(n1Cc1nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no1)CCCC2 ZINC000350137847 539871728 /nfs/dbraw/zinc/87/17/28/539871728.db2.gz YUQPNSVXQYSWDE-DOMZBBRYSA-N 2 2 329.404 1.729 20 0 EDADLP c1[nH+]c2c(n1Cc1nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no1)CCCC2 ZINC000350137847 539871731 /nfs/dbraw/zinc/87/17/31/539871731.db2.gz YUQPNSVXQYSWDE-DOMZBBRYSA-N 2 2 329.404 1.729 20 0 EDADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181043217 234069386 /nfs/dbraw/zinc/06/93/86/234069386.db2.gz LIZKNZOOPLZEIG-JENIJYKNSA-N 2 2 345.487 1.701 20 0 EDADLP C[C@]1(C(N)=O)CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000588445381 539990897 /nfs/dbraw/zinc/99/08/97/539990897.db2.gz VZDJYDBEBXQPOU-UNWHRZBZSA-N 2 2 336.480 1.002 20 0 EDADLP C[C@]1(C(N)=O)CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000588445381 539990901 /nfs/dbraw/zinc/99/09/01/539990901.db2.gz VZDJYDBEBXQPOU-UNWHRZBZSA-N 2 2 336.480 1.002 20 0 EDADLP C[C@]1(C(N)=O)CCCC[N@H+]1C/C=C\C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000588445381 539990904 /nfs/dbraw/zinc/99/09/04/539990904.db2.gz VZDJYDBEBXQPOU-UNWHRZBZSA-N 2 2 336.480 1.002 20 0 EDADLP C[C@]1(C(N)=O)CCCC[N@@H+]1C/C=C\C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000588445381 539990908 /nfs/dbraw/zinc/99/09/08/539990908.db2.gz VZDJYDBEBXQPOU-UNWHRZBZSA-N 2 2 336.480 1.002 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)C[N@H+](Cc2ccccc2)C1 ZINC000562940013 306313072 /nfs/dbraw/zinc/31/30/72/306313072.db2.gz KONSOCMMYHMGIC-NXHRZFHOSA-N 2 2 340.475 1.878 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000562940013 306313073 /nfs/dbraw/zinc/31/30/73/306313073.db2.gz KONSOCMMYHMGIC-NXHRZFHOSA-N 2 2 340.475 1.878 20 0 EDADLP CCC[NH+]1CCC([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000159120510 540004484 /nfs/dbraw/zinc/00/44/84/540004484.db2.gz ZHGJTTKWKNBAPZ-UHFFFAOYSA-N 3 2 331.508 1.797 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000563202718 306323031 /nfs/dbraw/zinc/32/30/31/306323031.db2.gz AMMNGQPAVZWNKM-UAGQMJEPSA-N 2 2 332.448 1.205 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000281509361 540076843 /nfs/dbraw/zinc/07/68/43/540076843.db2.gz GSCGXYLNFHNGSL-SFHVURJKSA-N 2 2 342.443 1.750 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000281509361 540076845 /nfs/dbraw/zinc/07/68/45/540076845.db2.gz GSCGXYLNFHNGSL-SFHVURJKSA-N 2 2 342.443 1.750 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000281509361 540076847 /nfs/dbraw/zinc/07/68/47/540076847.db2.gz GSCGXYLNFHNGSL-SFHVURJKSA-N 2 2 342.443 1.750 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000281509361 540076849 /nfs/dbraw/zinc/07/68/49/540076849.db2.gz GSCGXYLNFHNGSL-SFHVURJKSA-N 2 2 342.443 1.750 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000563349079 306328923 /nfs/dbraw/zinc/32/89/23/306328923.db2.gz OXCCFINUQHTHTA-COXVUDFISA-N 2 2 335.423 1.537 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000563349079 306328924 /nfs/dbraw/zinc/32/89/24/306328924.db2.gz OXCCFINUQHTHTA-COXVUDFISA-N 2 2 335.423 1.537 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000563442547 306333347 /nfs/dbraw/zinc/33/33/47/306333347.db2.gz RGRCCJFEKVPDEQ-CABCVRRESA-N 2 2 330.363 1.225 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)CCN2C1=O ZINC000563442547 306333348 /nfs/dbraw/zinc/33/33/48/306333348.db2.gz RGRCCJFEKVPDEQ-CABCVRRESA-N 2 2 330.363 1.225 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000563559292 306338832 /nfs/dbraw/zinc/33/88/32/306338832.db2.gz UFBBTPPYNSUXHD-MSOLQXFVSA-N 3 2 347.507 1.354 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000563559292 306338833 /nfs/dbraw/zinc/33/88/33/306338833.db2.gz UFBBTPPYNSUXHD-MSOLQXFVSA-N 3 2 347.507 1.354 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(CC(F)F)CC2)CC1 ZINC000091083988 138281747 /nfs/dbraw/zinc/28/17/47/138281747.db2.gz HSWOURLPQTZTLQ-UHFFFAOYSA-N 2 2 346.466 1.248 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCN(CC(F)F)CC2)CC1 ZINC000091083988 138281748 /nfs/dbraw/zinc/28/17/48/138281748.db2.gz HSWOURLPQTZTLQ-UHFFFAOYSA-N 2 2 346.466 1.248 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000098143857 138297946 /nfs/dbraw/zinc/29/79/46/138297946.db2.gz ZRVGSDCXTWZEEL-KNCOVGOOSA-N 2 2 340.439 1.955 20 0 EDADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000098143857 138297947 /nfs/dbraw/zinc/29/79/47/138297947.db2.gz ZRVGSDCXTWZEEL-KNCOVGOOSA-N 2 2 340.439 1.955 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCC([NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000105301843 138301296 /nfs/dbraw/zinc/30/12/96/138301296.db2.gz GHGPQJCVUYCYLM-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP CCc1nn(C)c(CC)c1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000093821472 138294822 /nfs/dbraw/zinc/29/48/22/138294822.db2.gz CVSACEVISNBWDL-GOSISDBHSA-N 2 2 347.507 1.283 20 0 EDADLP CCc1nn(C)c(CC)c1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000093821472 138294823 /nfs/dbraw/zinc/29/48/23/138294823.db2.gz CVSACEVISNBWDL-GOSISDBHSA-N 2 2 347.507 1.283 20 0 EDADLP Cc1nn(C)c(C[NH+]2CCC(OCCC[NH3+])CC2)c1Br ZINC000094072353 138295892 /nfs/dbraw/zinc/29/58/92/138295892.db2.gz IRGWZEXJZRLKPN-UHFFFAOYSA-N 2 2 345.285 1.821 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(CC[NH+](C)C)C1CCCC1)[NH+]1CCOCC1 ZINC000125268640 138332881 /nfs/dbraw/zinc/33/28/81/138332881.db2.gz RIBNUUJMEXLIJC-JKSUJKDBSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131380668 138358610 /nfs/dbraw/zinc/35/86/10/138358610.db2.gz HKWNQKHELDSQQC-QGZVFWFLSA-N 3 2 333.480 1.386 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131380668 138358611 /nfs/dbraw/zinc/35/86/11/138358611.db2.gz HKWNQKHELDSQQC-QGZVFWFLSA-N 3 2 333.480 1.386 20 0 EDADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186951577 236076235 /nfs/dbraw/zinc/07/62/35/236076235.db2.gz YQDRXUAUIJFWAS-HNNXBMFYSA-N 2 2 342.443 1.790 20 0 EDADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186951577 236076238 /nfs/dbraw/zinc/07/62/38/236076238.db2.gz YQDRXUAUIJFWAS-HNNXBMFYSA-N 2 2 342.443 1.790 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000413735180 304075270 /nfs/dbraw/zinc/07/52/70/304075270.db2.gz XJNZUPKMJZAIRU-UONOGXRCSA-N 2 2 328.526 1.548 20 0 EDADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CS1 ZINC000413735180 304075271 /nfs/dbraw/zinc/07/52/71/304075271.db2.gz XJNZUPKMJZAIRU-UONOGXRCSA-N 2 2 328.526 1.548 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000564662949 306362856 /nfs/dbraw/zinc/36/28/56/306362856.db2.gz ZGEMDLNKWDOGMT-IJEWVQPXSA-N 2 2 334.464 1.322 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000564662949 306362857 /nfs/dbraw/zinc/36/28/57/306362857.db2.gz ZGEMDLNKWDOGMT-IJEWVQPXSA-N 2 2 334.464 1.322 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000564845572 306366841 /nfs/dbraw/zinc/36/68/41/306366841.db2.gz ZEPNGHQVICTMIV-CKEIUWERSA-N 2 2 326.868 1.942 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](O)COCC3CC3)c2cc1C ZINC000564977304 306371599 /nfs/dbraw/zinc/37/15/99/306371599.db2.gz WJTHGSDFTBCYHY-DLBZAZTESA-N 2 2 347.459 1.391 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)C2 ZINC000565406467 306383126 /nfs/dbraw/zinc/38/31/26/306383126.db2.gz DINHBVSODKOSJY-ZIAGYGMSSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)C2 ZINC000565406467 306383127 /nfs/dbraw/zinc/38/31/27/306383127.db2.gz DINHBVSODKOSJY-ZIAGYGMSSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)CC2 ZINC000565406467 306383128 /nfs/dbraw/zinc/38/31/28/306383128.db2.gz DINHBVSODKOSJY-ZIAGYGMSSA-N 2 2 334.464 1.163 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)CC2 ZINC000565406467 306383129 /nfs/dbraw/zinc/38/31/29/306383129.db2.gz DINHBVSODKOSJY-ZIAGYGMSSA-N 2 2 334.464 1.163 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)n1C ZINC000414341458 304108645 /nfs/dbraw/zinc/10/86/45/304108645.db2.gz VUEUFFHOIJORDW-UHFFFAOYSA-N 3 2 345.491 1.759 20 0 EDADLP C[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000637930714 452178331 /nfs/dbraw/zinc/17/83/31/452178331.db2.gz SKKOJGHJSFJGDE-ZDUSSCGKSA-N 2 2 345.896 1.761 20 0 EDADLP C[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@H]1CCC[NH+](C)C1 ZINC000637930714 452178339 /nfs/dbraw/zinc/17/83/39/452178339.db2.gz SKKOJGHJSFJGDE-ZDUSSCGKSA-N 2 2 345.896 1.761 20 0 EDADLP C[NH+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000637930714 452178343 /nfs/dbraw/zinc/17/83/43/452178343.db2.gz SKKOJGHJSFJGDE-ZDUSSCGKSA-N 2 2 345.896 1.761 20 0 EDADLP C[NH+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637930714 452178348 /nfs/dbraw/zinc/17/83/48/452178348.db2.gz SKKOJGHJSFJGDE-ZDUSSCGKSA-N 2 2 345.896 1.761 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694248 304128432 /nfs/dbraw/zinc/12/84/32/304128432.db2.gz MZNDCUUVORBDIL-HKUYNNGSSA-N 2 2 344.503 1.390 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694248 304128433 /nfs/dbraw/zinc/12/84/33/304128433.db2.gz MZNDCUUVORBDIL-HKUYNNGSSA-N 2 2 344.503 1.390 20 0 EDADLP COCC[NH2+]CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414730443 304133928 /nfs/dbraw/zinc/13/39/28/304133928.db2.gz DMIXSICXXRUWNI-UHFFFAOYSA-N 2 2 341.481 1.487 20 0 EDADLP C[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000566628802 306422721 /nfs/dbraw/zinc/42/27/21/306422721.db2.gz KDEIQLLZTJJOOJ-GOEBONIOSA-N 2 2 330.436 1.365 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000195153783 139008234 /nfs/dbraw/zinc/00/82/34/139008234.db2.gz AJBXLWRSRKZBEN-BPUTZDHNSA-N 2 2 325.416 1.804 20 0 EDADLP Cc1cccc([C@H](CNC(=O)N(C)C2CC([NH3+])C2)[NH+]2CCOCC2)c1 ZINC000567245797 306444058 /nfs/dbraw/zinc/44/40/58/306444058.db2.gz QBHXUTGJOYLEQR-ABHNRTSZSA-N 2 2 346.475 1.499 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000110917516 220079286 /nfs/dbraw/zinc/07/92/86/220079286.db2.gz MRLVMGYXIOOSNY-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000110917516 220079289 /nfs/dbraw/zinc/07/92/89/220079289.db2.gz MRLVMGYXIOOSNY-IBGZPJMESA-N 2 2 345.487 1.832 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000245429158 139074298 /nfs/dbraw/zinc/07/42/98/139074298.db2.gz MXOQAXRFZNOQDK-DZGCQCFKSA-N 2 2 336.436 1.268 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000245429158 139074299 /nfs/dbraw/zinc/07/42/99/139074299.db2.gz MXOQAXRFZNOQDK-DZGCQCFKSA-N 2 2 336.436 1.268 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000245429158 139074300 /nfs/dbraw/zinc/07/43/00/139074300.db2.gz MXOQAXRFZNOQDK-DZGCQCFKSA-N 2 2 336.436 1.268 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000245429158 139074301 /nfs/dbraw/zinc/07/43/01/139074301.db2.gz MXOQAXRFZNOQDK-DZGCQCFKSA-N 2 2 336.436 1.268 20 0 EDADLP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000415282795 304184969 /nfs/dbraw/zinc/18/49/69/304184969.db2.gz NEIHLKLXRJKTRF-AWEZNQCLSA-N 2 2 341.415 1.269 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246303946 139103321 /nfs/dbraw/zinc/10/33/21/139103321.db2.gz CLZXDXCWLTWDRA-IXDOHACOSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246303946 139103322 /nfs/dbraw/zinc/10/33/22/139103322.db2.gz CLZXDXCWLTWDRA-IXDOHACOSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)n1cc[nH+]c1 ZINC000567991673 306468734 /nfs/dbraw/zinc/46/87/34/306468734.db2.gz ZFKGXQRBUBWHMH-CYBMUJFWSA-N 2 2 329.404 1.973 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246708937 139118013 /nfs/dbraw/zinc/11/80/13/139118013.db2.gz LBTWVIYLUPKKHM-HKUYNNGSSA-N 2 2 345.487 1.688 20 0 EDADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246708937 139118014 /nfs/dbraw/zinc/11/80/14/139118014.db2.gz LBTWVIYLUPKKHM-HKUYNNGSSA-N 2 2 345.487 1.688 20 0 EDADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352477538 284519351 /nfs/dbraw/zinc/51/93/51/284519351.db2.gz MROCQLIXYNELSO-RTBURBONSA-N 2 2 344.503 1.576 20 0 EDADLP Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000265995737 248009678 /nfs/dbraw/zinc/00/96/78/248009678.db2.gz HPWVOTVHYXOSEQ-QZTJIDSGSA-N 2 2 334.460 1.389 20 0 EDADLP Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000265995737 248009681 /nfs/dbraw/zinc/00/96/81/248009681.db2.gz HPWVOTVHYXOSEQ-QZTJIDSGSA-N 2 2 334.460 1.389 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367904254 284598650 /nfs/dbraw/zinc/59/86/50/284598650.db2.gz PKPMVHJNHZBGCV-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000415406106 304215203 /nfs/dbraw/zinc/21/52/03/304215203.db2.gz OBTDFQRDAUNXGZ-AWEZNQCLSA-N 2 2 341.415 1.317 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092853480 218176584 /nfs/dbraw/zinc/17/65/84/218176584.db2.gz CGVIPWCTJHRMRD-UHFFFAOYSA-N 2 2 342.447 1.884 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000093045782 218189663 /nfs/dbraw/zinc/18/96/63/218189663.db2.gz LGFQNSUJSWJFTE-UHFFFAOYSA-N 2 2 343.471 1.948 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4ccc(C)cn34)C2)CC1 ZINC000093133445 218196205 /nfs/dbraw/zinc/19/62/05/218196205.db2.gz JUSUTFQZHVMMDJ-KRWDZBQOSA-N 2 2 327.476 1.855 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4ccc(C)cn34)C2)CC1 ZINC000093133445 218196206 /nfs/dbraw/zinc/19/62/06/218196206.db2.gz JUSUTFQZHVMMDJ-KRWDZBQOSA-N 2 2 327.476 1.855 20 0 EDADLP C[N@H+](CCn1cc[nH+]c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000093332069 218215532 /nfs/dbraw/zinc/21/55/32/218215532.db2.gz JPTIIFNUUAYLQM-ZDUSSCGKSA-N 2 2 337.221 1.804 20 0 EDADLP C[N@@H+](CCn1cc[nH+]c1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000093332069 218215534 /nfs/dbraw/zinc/21/55/34/218215534.db2.gz JPTIIFNUUAYLQM-ZDUSSCGKSA-N 2 2 337.221 1.804 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)[C@@H](C)C1 ZINC000249129464 139186989 /nfs/dbraw/zinc/18/69/89/139186989.db2.gz CWFFQNWPAVMAAK-LRDDRELGSA-N 2 2 332.448 1.826 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)[C@@H](C)C1 ZINC000249129464 139186990 /nfs/dbraw/zinc/18/69/90/139186990.db2.gz CWFFQNWPAVMAAK-LRDDRELGSA-N 2 2 332.448 1.826 20 0 EDADLP COCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665080 218240066 /nfs/dbraw/zinc/24/00/66/218240066.db2.gz ZPRWGVCPXVOVCA-QGZVFWFLSA-N 2 2 334.460 1.866 20 0 EDADLP COCCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665080 218240068 /nfs/dbraw/zinc/24/00/68/218240068.db2.gz ZPRWGVCPXVOVCA-QGZVFWFLSA-N 2 2 334.460 1.866 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297725 139190780 /nfs/dbraw/zinc/19/07/80/139190780.db2.gz NAZUJBDRVRKKKA-IEBWSBKVSA-N 3 2 346.519 1.679 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297725 139190781 /nfs/dbraw/zinc/19/07/81/139190781.db2.gz NAZUJBDRVRKKKA-IEBWSBKVSA-N 3 2 346.519 1.679 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297725 139190782 /nfs/dbraw/zinc/19/07/82/139190782.db2.gz NAZUJBDRVRKKKA-IEBWSBKVSA-N 3 2 346.519 1.679 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297725 139190783 /nfs/dbraw/zinc/19/07/83/139190783.db2.gz NAZUJBDRVRKKKA-IEBWSBKVSA-N 3 2 346.519 1.679 20 0 EDADLP CC(=O)Nc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821097 218253470 /nfs/dbraw/zinc/25/34/70/218253470.db2.gz OVFOMCGICLFUAN-GOSISDBHSA-N 2 2 344.459 1.383 20 0 EDADLP CC(=O)Nc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821097 218253473 /nfs/dbraw/zinc/25/34/73/218253473.db2.gz OVFOMCGICLFUAN-GOSISDBHSA-N 2 2 344.459 1.383 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261624545 139212167 /nfs/dbraw/zinc/21/21/67/139212167.db2.gz DRAMKZFCECGPJY-KXBFYZLASA-N 2 2 346.475 1.417 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261624545 139212168 /nfs/dbraw/zinc/21/21/68/139212168.db2.gz DRAMKZFCECGPJY-KXBFYZLASA-N 2 2 346.475 1.417 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)on1 ZINC000261661096 139215331 /nfs/dbraw/zinc/21/53/31/139215331.db2.gz GXBGBKSGWMRDGT-BMFZPTHFSA-N 2 2 328.416 1.984 20 0 EDADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)on1 ZINC000261661096 139215332 /nfs/dbraw/zinc/21/53/32/139215332.db2.gz GXBGBKSGWMRDGT-BMFZPTHFSA-N 2 2 328.416 1.984 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261702882 139219077 /nfs/dbraw/zinc/21/90/77/139219077.db2.gz LRJLXUWLSVXMTN-ACJLOTCBSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261702882 139219078 /nfs/dbraw/zinc/21/90/78/139219078.db2.gz LRJLXUWLSVXMTN-ACJLOTCBSA-N 2 2 333.432 1.846 20 0 EDADLP [NH3+]CC[N@@H+](CCc1ccccc1)CCN1C(=O)c2ccccc2C1=O ZINC000261715158 139219975 /nfs/dbraw/zinc/21/99/75/139219975.db2.gz HRTSICIFYPDRNX-UHFFFAOYSA-N 2 2 337.423 1.786 20 0 EDADLP [NH3+]CC[N@H+](CCc1ccccc1)CCN1C(=O)c2ccccc2C1=O ZINC000261715158 139219976 /nfs/dbraw/zinc/21/99/76/139219976.db2.gz HRTSICIFYPDRNX-UHFFFAOYSA-N 2 2 337.423 1.786 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000261728469 139221088 /nfs/dbraw/zinc/22/10/88/139221088.db2.gz OAHZMLMGZXCPIB-INIZCTEOSA-N 2 2 325.840 1.506 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000261728469 139221089 /nfs/dbraw/zinc/22/10/89/139221089.db2.gz OAHZMLMGZXCPIB-INIZCTEOSA-N 2 2 325.840 1.506 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261719017 139220289 /nfs/dbraw/zinc/22/02/89/139220289.db2.gz CGOLNELHYDGBOB-QGZVFWFLSA-N 2 2 330.432 1.605 20 0 EDADLP C[C@]1(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]C1 ZINC000261885166 139233984 /nfs/dbraw/zinc/23/39/84/139233984.db2.gz RSCPDMCUDGFTDN-HOTGVXAUSA-N 2 2 329.510 1.312 20 0 EDADLP C[C@]1(C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]C1 ZINC000261885166 139233985 /nfs/dbraw/zinc/23/39/85/139233985.db2.gz RSCPDMCUDGFTDN-HOTGVXAUSA-N 2 2 329.510 1.312 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000261945507 139239160 /nfs/dbraw/zinc/23/91/60/139239160.db2.gz FGUAZNPZLPQURV-LBPRGKRZSA-N 2 2 329.366 1.923 20 0 EDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000261945507 139239161 /nfs/dbraw/zinc/23/91/61/139239161.db2.gz FGUAZNPZLPQURV-LBPRGKRZSA-N 2 2 329.366 1.923 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000262196323 139259086 /nfs/dbraw/zinc/25/90/86/139259086.db2.gz ZGVNJWJDHQDYKF-CQSZACIVSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000262196323 139259087 /nfs/dbraw/zinc/25/90/87/139259087.db2.gz ZGVNJWJDHQDYKF-CQSZACIVSA-N 2 2 325.815 1.875 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])c[nH+]2)CCO1 ZINC000416990232 251119929 /nfs/dbraw/zinc/11/99/29/251119929.db2.gz PFTUEUIOSIYTCC-AWEZNQCLSA-N 2 2 349.479 1.433 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000416988949 251120080 /nfs/dbraw/zinc/12/00/80/251120080.db2.gz DFWGHKAXMDXZDT-DOTOQJQBSA-N 2 2 334.464 1.275 20 0 EDADLP C[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000417023741 251137089 /nfs/dbraw/zinc/13/70/89/251137089.db2.gz WJGGWQIJLMQKMS-RDBSUJKOSA-N 2 2 332.439 1.651 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000416998836 251125366 /nfs/dbraw/zinc/12/53/66/251125366.db2.gz ZABPDIRJOPFUMV-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417584671 251198255 /nfs/dbraw/zinc/19/82/55/251198255.db2.gz NOJILZNZQCKCQI-CHWSQXEVSA-N 2 2 340.418 1.836 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417584671 251198259 /nfs/dbraw/zinc/19/82/59/251198259.db2.gz NOJILZNZQCKCQI-CHWSQXEVSA-N 2 2 340.418 1.836 20 0 EDADLP C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C1C[NH2+]C1 ZINC000262401276 139276500 /nfs/dbraw/zinc/27/65/00/139276500.db2.gz PPHXFJJIILRMIZ-MCIONIFRSA-N 2 2 332.448 1.167 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000417653822 251214338 /nfs/dbraw/zinc/21/43/38/251214338.db2.gz BONVDMWNODDWFN-WFASDCNBSA-N 2 2 340.418 1.866 20 0 EDADLP COc1cc(NC(=O)NCc2[nH]cc[nH+]2)ccc1OCC[NH+](C)C ZINC000417682395 251226009 /nfs/dbraw/zinc/22/60/09/251226009.db2.gz LDLBLYBAYAUQEW-UHFFFAOYSA-N 2 2 333.392 1.680 20 0 EDADLP C[C@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000262528091 139284281 /nfs/dbraw/zinc/28/42/81/139284281.db2.gz MBJKDEHIIBBIGD-KBPBESRZSA-N 2 2 332.448 1.189 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418201548 251356956 /nfs/dbraw/zinc/35/69/56/251356956.db2.gz BBKQODDJKIEGGF-SFHVURJKSA-N 2 2 346.475 1.410 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418201548 251356960 /nfs/dbraw/zinc/35/69/60/251356960.db2.gz BBKQODDJKIEGGF-SFHVURJKSA-N 2 2 346.475 1.410 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422868791 252004748 /nfs/dbraw/zinc/00/47/48/252004748.db2.gz WCBMSWSHZJGIIK-CVEARBPZSA-N 3 2 325.497 1.772 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422868791 252004751 /nfs/dbraw/zinc/00/47/51/252004751.db2.gz WCBMSWSHZJGIIK-CVEARBPZSA-N 3 2 325.497 1.772 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)CC2 ZINC000423485323 252055104 /nfs/dbraw/zinc/05/51/04/252055104.db2.gz ZCKKYOGJIOMIGB-UONOGXRCSA-N 2 2 347.459 1.258 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)CC2 ZINC000423485323 252055106 /nfs/dbraw/zinc/05/51/06/252055106.db2.gz ZCKKYOGJIOMIGB-UONOGXRCSA-N 2 2 347.459 1.258 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423840018 252087385 /nfs/dbraw/zinc/08/73/85/252087385.db2.gz YKZSAYDWSDTVTO-BFHYXJOUSA-N 2 2 329.803 1.314 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423840018 252087388 /nfs/dbraw/zinc/08/73/88/252087388.db2.gz YKZSAYDWSDTVTO-BFHYXJOUSA-N 2 2 329.803 1.314 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423864667 252095233 /nfs/dbraw/zinc/09/52/33/252095233.db2.gz CAIDUEXEYMAFDA-BPQIPLTHSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN(C)[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000423871505 252100121 /nfs/dbraw/zinc/10/01/21/252100121.db2.gz PQMXUVFSWCYFDP-HZPDHXFCSA-N 2 2 327.432 1.244 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H](C[NH3+])C(C)C)CC2)c1 ZINC000423809393 252084660 /nfs/dbraw/zinc/08/46/60/252084660.db2.gz MDRBWFNHDDILPO-GOSISDBHSA-N 2 2 349.475 1.449 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000423807841 252085706 /nfs/dbraw/zinc/08/57/06/252085706.db2.gz YBFAEMOTADHOQQ-NVXWUHKLSA-N 2 2 326.444 1.944 20 0 EDADLP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)C[NH+]1CCOCC1 ZINC000153319695 224088003 /nfs/dbraw/zinc/08/80/03/224088003.db2.gz ICZVTAQYLKACMU-CABCVRRESA-N 2 2 330.436 1.281 20 0 EDADLP COc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1OC ZINC000424340596 252198892 /nfs/dbraw/zinc/19/88/92/252198892.db2.gz YFMGRGGEMZUZOC-CHWSQXEVSA-N 2 2 337.420 1.510 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000424335928 252198740 /nfs/dbraw/zinc/19/87/40/252198740.db2.gz PSGMMNFEBOPALC-GHMZBOCLSA-N 2 2 327.331 1.806 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC000426190956 252322882 /nfs/dbraw/zinc/32/28/82/252322882.db2.gz IWSMPZMQDBUONU-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC000426190956 252322885 /nfs/dbraw/zinc/32/28/85/252322885.db2.gz IWSMPZMQDBUONU-IAGOWNOFSA-N 2 2 340.512 1.661 20 0 EDADLP COCC[NH2+]CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000165133572 533017530 /nfs/dbraw/zinc/01/75/30/533017530.db2.gz CUHVMUFGDJKDOI-GJZGRUSLSA-N 2 2 335.448 1.470 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000487812199 255036441 /nfs/dbraw/zinc/03/64/41/255036441.db2.gz OOZQZBUZBYBYFU-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000487812199 255036442 /nfs/dbraw/zinc/03/64/42/255036442.db2.gz OOZQZBUZBYBYFU-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000488746371 255052024 /nfs/dbraw/zinc/05/20/24/255052024.db2.gz CJMFOIKQLQTBAE-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000488746371 255052026 /nfs/dbraw/zinc/05/20/26/255052026.db2.gz CJMFOIKQLQTBAE-HOCLYGCPSA-N 2 2 337.489 1.095 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000415784369 304269887 /nfs/dbraw/zinc/26/98/87/304269887.db2.gz FGSHXNITXLNYJQ-VIFPVBQESA-N 2 2 342.241 1.736 20 0 EDADLP CCn1cc[nH+]c1/C=C\C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000492537113 255178066 /nfs/dbraw/zinc/17/80/66/255178066.db2.gz QEJXSYQSPWORKY-WAYWQWQTSA-N 2 2 343.431 1.568 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000493433028 255207994 /nfs/dbraw/zinc/20/79/94/255207994.db2.gz XJKHATWRLAYOBA-SNAWJCMRSA-N 2 2 326.400 1.572 20 0 EDADLP O=C(/C=C/c1ccccc1)NCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000493744441 255220300 /nfs/dbraw/zinc/22/03/00/255220300.db2.gz YNMDBEFYCYTZQL-JYIRHVFTSA-N 2 2 343.471 1.563 20 0 EDADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)/C=C\c3[nH]cc[nH+]3)CC2)nc1 ZINC000493254964 255199753 /nfs/dbraw/zinc/19/97/53/255199753.db2.gz MOCFWQGECDQVCO-XQRVVYSFSA-N 2 2 340.431 1.228 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NCc2ccc[nH+]c2N(C)C)CCO1 ZINC000494660978 255256784 /nfs/dbraw/zinc/25/67/84/255256784.db2.gz IEFMWVOTBKBZIH-OAHLLOKOSA-N 2 2 335.452 1.058 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2ccc[nH+]c2N(C)C)CCO1 ZINC000494660978 255256785 /nfs/dbraw/zinc/25/67/85/255256785.db2.gz IEFMWVOTBKBZIH-OAHLLOKOSA-N 2 2 335.452 1.058 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC000494868551 255263449 /nfs/dbraw/zinc/26/34/49/255263449.db2.gz NTWJOOGQRNZIBG-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000494868551 255263450 /nfs/dbraw/zinc/26/34/50/255263450.db2.gz NTWJOOGQRNZIBG-QGZVFWFLSA-N 2 2 340.512 1.661 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496235773 255368224 /nfs/dbraw/zinc/36/82/24/255368224.db2.gz TZUCDDJQYASGOU-JYJNAYRXSA-N 2 2 341.496 1.488 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496235773 255368225 /nfs/dbraw/zinc/36/82/25/255368225.db2.gz TZUCDDJQYASGOU-JYJNAYRXSA-N 2 2 341.496 1.488 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496235773 255368226 /nfs/dbraw/zinc/36/82/26/255368226.db2.gz TZUCDDJQYASGOU-JYJNAYRXSA-N 2 2 341.496 1.488 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496235773 255368227 /nfs/dbraw/zinc/36/82/27/255368227.db2.gz TZUCDDJQYASGOU-JYJNAYRXSA-N 2 2 341.496 1.488 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000263991800 139374459 /nfs/dbraw/zinc/37/44/59/139374459.db2.gz GSMLCPUDMLAAJY-HZPDHXFCSA-N 2 2 345.422 1.994 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@@H+]1C1CC1 ZINC000119352048 221300792 /nfs/dbraw/zinc/30/07/92/221300792.db2.gz CDNDMKUMLQUBJU-UKRRQHHQSA-N 2 2 331.464 1.686 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCCc2cn3c([nH+]2)CCCC3)C[N@H+]1C1CC1 ZINC000119352048 221300795 /nfs/dbraw/zinc/30/07/95/221300795.db2.gz CDNDMKUMLQUBJU-UKRRQHHQSA-N 2 2 331.464 1.686 20 0 EDADLP Cc1ccc2[nH+]cc(CN3CCN(CC[NH+]4CCCC4)CC3)n2c1 ZINC000119544941 221343803 /nfs/dbraw/zinc/34/38/03/221343803.db2.gz CMKLWKUFJBCAJH-UHFFFAOYSA-N 2 2 327.476 1.856 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000571657534 306571643 /nfs/dbraw/zinc/57/16/43/306571643.db2.gz ZWVOKZUEXMIQHD-GOSISDBHSA-N 2 2 331.464 1.611 20 0 EDADLP CS[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1[NH+](C)C ZINC000270543364 140120728 /nfs/dbraw/zinc/12/07/28/140120728.db2.gz YGJDNMUPANUPBH-UONOGXRCSA-N 2 2 331.445 1.385 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000271118926 140240053 /nfs/dbraw/zinc/24/00/53/140240053.db2.gz ISGYDDIHARQZCT-QGZVFWFLSA-N 2 2 340.427 1.931 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000271118926 140240055 /nfs/dbraw/zinc/24/00/55/140240055.db2.gz ISGYDDIHARQZCT-QGZVFWFLSA-N 2 2 340.427 1.931 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000271177526 140251648 /nfs/dbraw/zinc/25/16/48/140251648.db2.gz HZFMIFVUUOGASP-KRWDZBQOSA-N 2 2 331.460 1.742 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1C ZINC000271177526 140251651 /nfs/dbraw/zinc/25/16/51/140251651.db2.gz HZFMIFVUUOGASP-KRWDZBQOSA-N 2 2 331.460 1.742 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)ccc2[nH+]1 ZINC000271702590 140336589 /nfs/dbraw/zinc/33/65/89/140336589.db2.gz WMGGEGZSTJANTQ-LBPRGKRZSA-N 2 2 329.404 1.180 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)ccc2[nH+]1 ZINC000271702590 140336592 /nfs/dbraw/zinc/33/65/92/140336592.db2.gz WMGGEGZSTJANTQ-LBPRGKRZSA-N 2 2 329.404 1.180 20 0 EDADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000572005320 306579620 /nfs/dbraw/zinc/57/96/20/306579620.db2.gz VGPDTVPPDWDITB-MRXNPFEDSA-N 2 2 345.472 1.842 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000331300158 141005383 /nfs/dbraw/zinc/00/53/83/141005383.db2.gz DSGUMZQPHDRCDI-ZIAGYGMSSA-N 2 2 334.464 1.904 20 0 EDADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000331300158 141005384 /nfs/dbraw/zinc/00/53/84/141005384.db2.gz DSGUMZQPHDRCDI-ZIAGYGMSSA-N 2 2 334.464 1.904 20 0 EDADLP CN(C)c1nc(N2CC[NH+](C[C@H](O)CC3CCCC3)CC2)cc[nH+]1 ZINC000331842375 141087892 /nfs/dbraw/zinc/08/78/92/141087892.db2.gz DVBCDEXPACRFBK-MRXNPFEDSA-N 2 2 333.480 1.606 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000332074126 141118296 /nfs/dbraw/zinc/11/82/96/141118296.db2.gz XMGKRDGTQYMZCU-ZIAGYGMSSA-N 2 2 333.436 1.618 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000332405920 141176766 /nfs/dbraw/zinc/17/67/66/141176766.db2.gz PEEPBAHFHQBEEU-WBMJQRKESA-N 2 2 329.404 1.531 20 0 EDADLP C[C@@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@H](C[NH3+])C1 ZINC000332559168 141203268 /nfs/dbraw/zinc/20/32/68/141203268.db2.gz UADORQLOIWPAEM-ZBFHGGJFSA-N 2 2 331.464 1.819 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[NH+](C3CCC3)CC2)nc[nH+]1 ZINC000333078142 141260268 /nfs/dbraw/zinc/26/02/68/141260268.db2.gz WKVASHIREFVHBU-MRXNPFEDSA-N 2 2 331.464 1.502 20 0 EDADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333386620 141309722 /nfs/dbraw/zinc/30/97/22/141309722.db2.gz OFVTXRRJCZEGMV-IBGZPJMESA-N 2 2 343.475 1.967 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333387375 141310063 /nfs/dbraw/zinc/31/00/63/141310063.db2.gz OGSAUPUUGSQIFB-SJORKVTESA-N 2 2 343.475 1.691 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cn21 ZINC000333692347 141358984 /nfs/dbraw/zinc/35/89/84/141358984.db2.gz COOQLBMQMZCVPK-RRFJBIMHSA-N 2 2 327.432 1.830 20 0 EDADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000333734257 141369070 /nfs/dbraw/zinc/36/90/70/141369070.db2.gz KLMWGPSNXDMZDS-GOSISDBHSA-N 2 2 331.464 1.847 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3cn4c([nH+]3)CCCC4)C2)C1 ZINC000333734257 141369071 /nfs/dbraw/zinc/36/90/71/141369071.db2.gz KLMWGPSNXDMZDS-GOSISDBHSA-N 2 2 331.464 1.847 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000333837151 141391322 /nfs/dbraw/zinc/39/13/22/141391322.db2.gz NPIWLJNMQHYDOT-APWZRJJASA-N 2 2 345.491 1.860 20 0 EDADLP COC[C@H]1CC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000339280620 142002686 /nfs/dbraw/zinc/00/26/86/142002686.db2.gz ODCOABQFLSUBNS-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP COC[C@H]1CC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000339280620 142002688 /nfs/dbraw/zinc/00/26/88/142002688.db2.gz ODCOABQFLSUBNS-LJQANCHMSA-N 2 2 345.487 1.796 20 0 EDADLP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[NH+]1CCOCC1 ZINC000339681007 142117952 /nfs/dbraw/zinc/11/79/52/142117952.db2.gz DDCYHUKKSHROEW-MRXNPFEDSA-N 2 2 331.460 1.619 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cn2cc[nH+]c12 ZINC000340117982 142271432 /nfs/dbraw/zinc/27/14/32/142271432.db2.gz UGFFZNACSYDSTJ-UHFFFAOYSA-N 2 2 348.366 1.545 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000340255279 142321467 /nfs/dbraw/zinc/32/14/67/142321467.db2.gz URXNAEBZVIUEQO-KRWDZBQOSA-N 2 2 346.475 1.315 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000343813377 142892630 /nfs/dbraw/zinc/89/26/30/142892630.db2.gz QTDUHIRRXISFFO-GOSISDBHSA-N 2 2 344.503 1.275 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2C)CC1 ZINC000343813377 142892631 /nfs/dbraw/zinc/89/26/31/142892631.db2.gz QTDUHIRRXISFFO-GOSISDBHSA-N 2 2 344.503 1.275 20 0 EDADLP C[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]cn3Cc3ccccc3)[C@H]2C1 ZINC000345025400 143040810 /nfs/dbraw/zinc/04/08/10/143040810.db2.gz ZMBJCAMTVONRBP-RBUKOAKNSA-N 2 2 326.444 1.836 20 0 EDADLP C[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]cn3Cc3ccccc3)[C@H]2C1 ZINC000345025400 143040811 /nfs/dbraw/zinc/04/08/11/143040811.db2.gz ZMBJCAMTVONRBP-RBUKOAKNSA-N 2 2 326.444 1.836 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000345409229 143087904 /nfs/dbraw/zinc/08/79/04/143087904.db2.gz RVAKMIHDJOOKGY-LMMKCTJWSA-N 2 2 347.503 1.727 20 0 EDADLP C[C@H]1C[C@@H](CCNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000345642420 143115586 /nfs/dbraw/zinc/11/55/86/143115586.db2.gz QJACSPNPSZWOGG-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000345690985 143122060 /nfs/dbraw/zinc/12/20/60/143122060.db2.gz LKAJKUMUAFCWMZ-HUUCEWRRSA-N 2 2 341.402 1.467 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000345925897 143147824 /nfs/dbraw/zinc/14/78/24/143147824.db2.gz STYYGRFHAKVBOD-DLBZAZTESA-N 2 2 345.491 1.145 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000345925897 143147825 /nfs/dbraw/zinc/14/78/25/143147825.db2.gz STYYGRFHAKVBOD-DLBZAZTESA-N 2 2 345.491 1.145 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@H]1C ZINC000345925899 143147920 /nfs/dbraw/zinc/14/79/20/143147920.db2.gz STYYGRFHAKVBOD-IAGOWNOFSA-N 2 2 345.491 1.145 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C[C@H]1C ZINC000345925899 143147921 /nfs/dbraw/zinc/14/79/21/143147921.db2.gz STYYGRFHAKVBOD-IAGOWNOFSA-N 2 2 345.491 1.145 20 0 EDADLP CS(=O)(=O)N1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346129240 143170630 /nfs/dbraw/zinc/17/06/30/143170630.db2.gz GMVVUJFXLBCLOH-UHFFFAOYSA-N 2 2 340.474 1.401 20 0 EDADLP CS(=O)(=O)N1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346129240 143170631 /nfs/dbraw/zinc/17/06/31/143170631.db2.gz GMVVUJFXLBCLOH-UHFFFAOYSA-N 2 2 340.474 1.401 20 0 EDADLP O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346173440 143174957 /nfs/dbraw/zinc/17/49/57/143174957.db2.gz MEQJVWGVPWDVPI-INIZCTEOSA-N 2 2 346.456 1.757 20 0 EDADLP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C[C@@H](C)C1 ZINC000346257146 143184286 /nfs/dbraw/zinc/18/42/86/143184286.db2.gz GSIKCKRGRVWOTB-DKKFBQAASA-N 2 2 349.519 1.819 20 0 EDADLP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346257146 143184287 /nfs/dbraw/zinc/18/42/87/143184287.db2.gz GSIKCKRGRVWOTB-DKKFBQAASA-N 2 2 349.519 1.819 20 0 EDADLP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346257146 143184288 /nfs/dbraw/zinc/18/42/88/143184288.db2.gz GSIKCKRGRVWOTB-DKKFBQAASA-N 2 2 349.519 1.819 20 0 EDADLP CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000346394978 143200346 /nfs/dbraw/zinc/20/03/46/143200346.db2.gz STSXNHCSWMTXJT-VUXNLXKLSA-N 2 2 349.519 1.961 20 0 EDADLP CC[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000346394978 143200347 /nfs/dbraw/zinc/20/03/47/143200347.db2.gz STSXNHCSWMTXJT-VUXNLXKLSA-N 2 2 349.519 1.961 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000346422738 143203222 /nfs/dbraw/zinc/20/32/22/143203222.db2.gz RKZIALMNFBWDAD-RDJZCZTQSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000346422738 143203223 /nfs/dbraw/zinc/20/32/23/143203223.db2.gz RKZIALMNFBWDAD-RDJZCZTQSA-N 2 2 346.475 1.069 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CC(=O)NCC2CCC2)CCC[NH+]1C ZINC000346929138 143262576 /nfs/dbraw/zinc/26/25/76/143262576.db2.gz NZJQCYUNUAWCPS-QFBILLFUSA-N 2 2 347.507 1.651 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CC(=O)NCC2CCC2)CCC[NH+]1C ZINC000346929138 143262577 /nfs/dbraw/zinc/26/25/77/143262577.db2.gz NZJQCYUNUAWCPS-QFBILLFUSA-N 2 2 347.507 1.651 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)NCC2CCC2)CCC[N@@H+]1C ZINC000346929138 143262578 /nfs/dbraw/zinc/26/25/78/143262578.db2.gz NZJQCYUNUAWCPS-QFBILLFUSA-N 2 2 347.507 1.651 20 0 EDADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)NCC2CCC2)CCC[N@H+]1C ZINC000346929138 143262579 /nfs/dbraw/zinc/26/25/79/143262579.db2.gz NZJQCYUNUAWCPS-QFBILLFUSA-N 2 2 347.507 1.651 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000347157570 143288842 /nfs/dbraw/zinc/28/88/42/143288842.db2.gz STWVGVFBAMASGY-HEHGZKQESA-N 2 2 325.478 1.586 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000347157570 143288843 /nfs/dbraw/zinc/28/88/43/143288843.db2.gz STWVGVFBAMASGY-HEHGZKQESA-N 2 2 325.478 1.586 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000348013178 143391326 /nfs/dbraw/zinc/39/13/26/143391326.db2.gz LHDLYZKCFDCKEV-QRVBRYPASA-N 2 2 345.487 1.829 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000348013178 143391327 /nfs/dbraw/zinc/39/13/27/143391327.db2.gz LHDLYZKCFDCKEV-QRVBRYPASA-N 2 2 345.487 1.829 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000348013178 143391328 /nfs/dbraw/zinc/39/13/28/143391328.db2.gz LHDLYZKCFDCKEV-QRVBRYPASA-N 2 2 345.487 1.829 20 0 EDADLP CC[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000348013178 143391329 /nfs/dbraw/zinc/39/13/29/143391329.db2.gz LHDLYZKCFDCKEV-QRVBRYPASA-N 2 2 345.487 1.829 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH3+])[NH+]2CCOCC2)s1 ZINC000417842732 292200043 /nfs/dbraw/zinc/20/00/43/292200043.db2.gz YGWVBXHNJCDYPN-GXTWGEPZSA-N 2 2 340.493 1.466 20 0 EDADLP COc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1OC(F)F ZINC000352700552 149122529 /nfs/dbraw/zinc/12/25/29/149122529.db2.gz RMHQZOVIPNJUFY-CQSZACIVSA-N 2 2 341.402 1.776 20 0 EDADLP Fc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000352723973 149130212 /nfs/dbraw/zinc/13/02/12/149130212.db2.gz WSVFDRKUDPHLPF-ZDUSSCGKSA-N 2 2 329.366 1.907 20 0 EDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000416896496 304354357 /nfs/dbraw/zinc/35/43/57/304354357.db2.gz VZQKSHDDCFYZDX-BPQIPLTHSA-N 2 2 346.475 1.487 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369913125 155228640 /nfs/dbraw/zinc/22/86/40/155228640.db2.gz PVYZPNPPHZJEGP-HRCADAONSA-N 2 2 348.443 1.752 20 0 EDADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000369913125 155228642 /nfs/dbraw/zinc/22/86/42/155228642.db2.gz PVYZPNPPHZJEGP-HRCADAONSA-N 2 2 348.443 1.752 20 0 EDADLP CC(C)[C@](C)(CO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000352916889 149214624 /nfs/dbraw/zinc/21/46/24/149214624.db2.gz SDNMMEIIRDACIW-SFHVURJKSA-N 2 2 334.464 1.117 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000353254757 149341860 /nfs/dbraw/zinc/34/18/60/149341860.db2.gz BLLDRIXFEOHIRQ-LBPRGKRZSA-N 2 2 334.386 1.722 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000353254757 149341863 /nfs/dbraw/zinc/34/18/63/149341863.db2.gz BLLDRIXFEOHIRQ-LBPRGKRZSA-N 2 2 334.386 1.722 20 0 EDADLP COc1cc(OC)c(OC)cc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000353349367 149375405 /nfs/dbraw/zinc/37/54/05/149375405.db2.gz JECGUSURLSXVDF-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP COc1cc(OC)c(OC)cc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000353349367 149375409 /nfs/dbraw/zinc/37/54/09/149375409.db2.gz JECGUSURLSXVDF-UHFFFAOYSA-N 2 2 338.448 1.601 20 0 EDADLP COCCC[N@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000353386260 149387273 /nfs/dbraw/zinc/38/72/73/149387273.db2.gz VSUWODLTUJMZGY-QGZVFWFLSA-N 2 2 340.489 1.848 20 0 EDADLP COCCC[N@@H+](CCCc1ccc(C)[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000353386260 149387278 /nfs/dbraw/zinc/38/72/78/149387278.db2.gz VSUWODLTUJMZGY-QGZVFWFLSA-N 2 2 340.489 1.848 20 0 EDADLP CCOC(=O)c1coc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000353386082 149387665 /nfs/dbraw/zinc/38/76/65/149387665.db2.gz VIHXRXJZQCRWHI-UHFFFAOYSA-N 2 2 335.448 1.670 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000416975563 304359044 /nfs/dbraw/zinc/35/90/44/304359044.db2.gz NYFQAUOJLBEZLN-JKSUJKDBSA-N 2 2 331.464 1.999 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000354914815 150028975 /nfs/dbraw/zinc/02/89/75/150028975.db2.gz QVBCGLGWYBREED-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000354914815 150028978 /nfs/dbraw/zinc/02/89/78/150028978.db2.gz QVBCGLGWYBREED-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000354914815 150028979 /nfs/dbraw/zinc/02/89/79/150028979.db2.gz QVBCGLGWYBREED-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000354914815 150028981 /nfs/dbraw/zinc/02/89/81/150028981.db2.gz QVBCGLGWYBREED-HZPDHXFCSA-N 2 2 339.480 1.252 20 0 EDADLP C[C@H]([C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCOCC1 ZINC000355135972 150133252 /nfs/dbraw/zinc/13/32/52/150133252.db2.gz FDPAALLOZOWQIW-JKSUJKDBSA-N 2 2 342.443 1.770 20 0 EDADLP CCCN(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000355233055 150176102 /nfs/dbraw/zinc/17/61/02/150176102.db2.gz RRVLOFMPHGMANO-UHFFFAOYSA-N 2 2 334.464 1.328 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000357566444 151069552 /nfs/dbraw/zinc/06/95/52/151069552.db2.gz GHZFZGCSSGZDAM-AOIWGVFYSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000357566444 151069553 /nfs/dbraw/zinc/06/95/53/151069553.db2.gz GHZFZGCSSGZDAM-AOIWGVFYSA-N 2 2 345.487 1.595 20 0 EDADLP C[C@@H](NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1)c1cccs1 ZINC000357642864 151097982 /nfs/dbraw/zinc/09/79/82/151097982.db2.gz CUDYXNOTHLEBGU-CYBMUJFWSA-N 2 2 325.478 1.314 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1)c1cccs1 ZINC000357642864 151097984 /nfs/dbraw/zinc/09/79/84/151097984.db2.gz CUDYXNOTHLEBGU-CYBMUJFWSA-N 2 2 325.478 1.314 20 0 EDADLP C[N@H+](CC(=O)N[C@@H]1CCOc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357646047 151099452 /nfs/dbraw/zinc/09/94/52/151099452.db2.gz JTNCBHGAKNPBBP-QGZVFWFLSA-N 2 2 347.459 1.015 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H]1CCOc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000357646047 151099453 /nfs/dbraw/zinc/09/94/53/151099453.db2.gz JTNCBHGAKNPBBP-QGZVFWFLSA-N 2 2 347.459 1.015 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)O1 ZINC000357665955 151108026 /nfs/dbraw/zinc/10/80/26/151108026.db2.gz MWVPICHUQWLUIQ-MGPQQGTHSA-N 2 2 335.452 1.066 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)O1 ZINC000357665955 151108029 /nfs/dbraw/zinc/10/80/29/151108029.db2.gz MWVPICHUQWLUIQ-MGPQQGTHSA-N 2 2 335.452 1.066 20 0 EDADLP CN(C)c1nc(N(C)C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cc[nH+]1 ZINC000357690590 151117303 /nfs/dbraw/zinc/11/73/03/151117303.db2.gz ZZVZFGYHDMRLIY-ZIAGYGMSSA-N 2 2 347.442 1.325 20 0 EDADLP CCN(C(=O)[C@H](C)[NH+]1CCC([N@H+](C)CCO)CC1)C1CCCCC1 ZINC000357723664 151126505 /nfs/dbraw/zinc/12/65/05/151126505.db2.gz XCOCQPUBQJGBIN-INIZCTEOSA-N 2 2 339.524 1.945 20 0 EDADLP CCN(C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)CCO)CC1)C1CCCCC1 ZINC000357723664 151126506 /nfs/dbraw/zinc/12/65/06/151126506.db2.gz XCOCQPUBQJGBIN-INIZCTEOSA-N 2 2 339.524 1.945 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357724172 151127000 /nfs/dbraw/zinc/12/70/00/151127000.db2.gz YPPAIGSPIPJHEH-UHFFFAOYSA-N 2 2 349.475 1.042 20 0 EDADLP COc1cccc(CN(C)C(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357724172 151127001 /nfs/dbraw/zinc/12/70/01/151127001.db2.gz YPPAIGSPIPJHEH-UHFFFAOYSA-N 2 2 349.475 1.042 20 0 EDADLP CC(C)OCC[NH+]1CCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC1 ZINC000357804916 151156605 /nfs/dbraw/zinc/15/66/05/151156605.db2.gz ROTRQNYMBAERLL-INIZCTEOSA-N 2 2 349.479 1.623 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000357814739 151159562 /nfs/dbraw/zinc/15/95/62/151159562.db2.gz KGAOXNWPKWTRMA-SFHVURJKSA-N 2 2 333.480 1.213 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)CC1 ZINC000357910592 151192176 /nfs/dbraw/zinc/19/21/76/151192176.db2.gz VNEVIXULMDOSGB-IRXDYDNUSA-N 2 2 336.480 1.143 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)CC1 ZINC000357910592 151192177 /nfs/dbraw/zinc/19/21/77/151192177.db2.gz VNEVIXULMDOSGB-IRXDYDNUSA-N 2 2 336.480 1.143 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358025464 151239286 /nfs/dbraw/zinc/23/92/86/151239286.db2.gz OQTVFRWZOXYCPR-RHSMWYFYSA-N 2 2 339.505 1.554 20 0 EDADLP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358025464 151239289 /nfs/dbraw/zinc/23/92/89/151239289.db2.gz OQTVFRWZOXYCPR-RHSMWYFYSA-N 2 2 339.505 1.554 20 0 EDADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCC(=O)c1ccccc1 ZINC000358039245 151243759 /nfs/dbraw/zinc/24/37/59/151243759.db2.gz USBXOSQRDXOPSA-INIZCTEOSA-N 2 2 340.427 1.978 20 0 EDADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCC(=O)c1ccccc1 ZINC000358039245 151243760 /nfs/dbraw/zinc/24/37/60/151243760.db2.gz USBXOSQRDXOPSA-INIZCTEOSA-N 2 2 340.427 1.978 20 0 EDADLP CC(C)(CNC(=O)NCC[N@@H+]1CCOCC1(C)C)C[NH+]1CCCC1 ZINC000358261640 151320110 /nfs/dbraw/zinc/32/01/10/151320110.db2.gz IYUOHRVEXZGPOK-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP CC(C)(CNC(=O)NCC[N@H+]1CCOCC1(C)C)C[NH+]1CCCC1 ZINC000358261640 151320113 /nfs/dbraw/zinc/32/01/13/151320113.db2.gz IYUOHRVEXZGPOK-UHFFFAOYSA-N 2 2 340.512 1.518 20 0 EDADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1cc[nH+]cc1O ZINC000358355962 151347650 /nfs/dbraw/zinc/34/76/50/151347650.db2.gz QEQJXLUMUPKTFH-UHFFFAOYSA-N 2 2 340.427 1.750 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000417171900 292252909 /nfs/dbraw/zinc/25/29/09/292252909.db2.gz FKTLSJCDWDKEQY-VYDXJSESSA-N 2 2 334.464 1.403 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000360389523 152016757 /nfs/dbraw/zinc/01/67/57/152016757.db2.gz OFAIUANMLLFOSZ-MRXNPFEDSA-N 2 2 347.507 1.504 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000360389523 152016763 /nfs/dbraw/zinc/01/67/63/152016763.db2.gz OFAIUANMLLFOSZ-MRXNPFEDSA-N 2 2 347.507 1.504 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CCO1 ZINC000360456227 152050863 /nfs/dbraw/zinc/05/08/63/152050863.db2.gz QUEKOIOLTYEYFL-CQSZACIVSA-N 2 2 336.436 1.111 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(C[NH+]3CCCC3)on2)CCO1 ZINC000360456227 152050866 /nfs/dbraw/zinc/05/08/66/152050866.db2.gz QUEKOIOLTYEYFL-CQSZACIVSA-N 2 2 336.436 1.111 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360536059 152084980 /nfs/dbraw/zinc/08/49/80/152084980.db2.gz SZBPNIHVKPWCMI-LJQANCHMSA-N 2 2 331.460 1.566 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000360536059 152084983 /nfs/dbraw/zinc/08/49/83/152084983.db2.gz SZBPNIHVKPWCMI-LJQANCHMSA-N 2 2 331.460 1.566 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000360873480 152237517 /nfs/dbraw/zinc/23/75/17/152237517.db2.gz PSFZXJHQHLQURO-NTDBWNAOSA-N 2 2 333.476 1.527 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000360873480 152237519 /nfs/dbraw/zinc/23/75/19/152237519.db2.gz PSFZXJHQHLQURO-NTDBWNAOSA-N 2 2 333.476 1.527 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000360939877 152258967 /nfs/dbraw/zinc/25/89/67/152258967.db2.gz DZQYOZMKBUVNEC-ROUUACIJSA-N 2 2 340.427 1.524 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000360939877 152258969 /nfs/dbraw/zinc/25/89/69/152258969.db2.gz DZQYOZMKBUVNEC-ROUUACIJSA-N 2 2 340.427 1.524 20 0 EDADLP CN(C)c1nc(N(C)C[C@@H]2C[C@@H](F)C[N@@H+]2Cc2ccnn2C)cc[nH+]1 ZINC000361001959 152275855 /nfs/dbraw/zinc/27/58/55/152275855.db2.gz KLUUUKOHUPYQJU-HIFRSBDPSA-N 2 2 347.442 1.325 20 0 EDADLP CN(C)c1nc(N(C)C[C@@H]2C[C@@H](F)C[N@H+]2Cc2ccnn2C)cc[nH+]1 ZINC000361001959 152275857 /nfs/dbraw/zinc/27/58/57/152275857.db2.gz KLUUUKOHUPYQJU-HIFRSBDPSA-N 2 2 347.442 1.325 20 0 EDADLP C[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@@H]2CCC[C@@H]21 ZINC000361177793 152326415 /nfs/dbraw/zinc/32/64/15/152326415.db2.gz JZXXQQHYSOOZOX-FHWLQOOXSA-N 2 2 342.487 1.903 20 0 EDADLP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCNC(=O)C3)c2)[C@@H]2CCC[C@@H]21 ZINC000361177793 152326418 /nfs/dbraw/zinc/32/64/18/152326418.db2.gz JZXXQQHYSOOZOX-FHWLQOOXSA-N 2 2 342.487 1.903 20 0 EDADLP C[NH+]1CC[C@H](Nc2cccc(C[N@@H+]3CCNC(=O)C3)c2)[C@@H]2CCC[C@@H]21 ZINC000361177793 152326420 /nfs/dbraw/zinc/32/64/20/152326420.db2.gz JZXXQQHYSOOZOX-FHWLQOOXSA-N 2 2 342.487 1.903 20 0 EDADLP C[NH+]1CC[C@H](Nc2cccc(C[N@H+]3CCNC(=O)C3)c2)[C@@H]2CCC[C@@H]21 ZINC000361177793 152326422 /nfs/dbraw/zinc/32/64/22/152326422.db2.gz JZXXQQHYSOOZOX-FHWLQOOXSA-N 2 2 342.487 1.903 20 0 EDADLP COCC[NH+]1CCC([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000361460176 152403128 /nfs/dbraw/zinc/40/31/28/152403128.db2.gz SEXKSBSDXLESJX-UHFFFAOYSA-N 3 2 341.496 1.104 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)COCC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370160703 155356525 /nfs/dbraw/zinc/35/65/25/155356525.db2.gz KWKIXOPJANDYNZ-MRXNPFEDSA-N 2 2 346.475 1.800 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCOCC2)cc1 ZINC000417175699 304380276 /nfs/dbraw/zinc/38/02/76/304380276.db2.gz JUKJYNOCYKISNP-SJORKVTESA-N 2 2 332.448 1.111 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000370195030 155371525 /nfs/dbraw/zinc/37/15/25/155371525.db2.gz RSNZCYXOGFDADL-DAWZGUTISA-N 2 2 335.492 1.620 20 0 EDADLP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000370195030 155371527 /nfs/dbraw/zinc/37/15/27/155371527.db2.gz RSNZCYXOGFDADL-DAWZGUTISA-N 2 2 335.492 1.620 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417181770 304381506 /nfs/dbraw/zinc/38/15/06/304381506.db2.gz PYTPYVYYIJDPLU-KRWDZBQOSA-N 2 2 334.464 1.277 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000363681696 153027665 /nfs/dbraw/zinc/02/76/65/153027665.db2.gz DMWQTVVMNXYTMC-CVEARBPZSA-N 2 2 333.436 1.093 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000363681696 153027667 /nfs/dbraw/zinc/02/76/67/153027667.db2.gz DMWQTVVMNXYTMC-CVEARBPZSA-N 2 2 333.436 1.093 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000363689093 153030324 /nfs/dbraw/zinc/03/03/24/153030324.db2.gz NBWTYMDXMAKNOE-UHFFFAOYSA-N 2 2 325.497 1.870 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000363702308 153034371 /nfs/dbraw/zinc/03/43/71/153034371.db2.gz BHYPAZAMLUXYGF-BVPBIZIASA-N 2 2 349.450 1.831 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000363702308 153034373 /nfs/dbraw/zinc/03/43/73/153034373.db2.gz BHYPAZAMLUXYGF-BVPBIZIASA-N 2 2 349.450 1.831 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC000363708464 153035520 /nfs/dbraw/zinc/03/55/20/153035520.db2.gz SUEYGCZZJQITGS-QKPAOTATSA-N 2 2 347.463 1.283 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC000363708464 153035523 /nfs/dbraw/zinc/03/55/23/153035523.db2.gz SUEYGCZZJQITGS-QKPAOTATSA-N 2 2 347.463 1.283 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)c1 ZINC000363750776 153046366 /nfs/dbraw/zinc/04/63/66/153046366.db2.gz WILFHYAADZFLEF-CVAIRZPRSA-N 2 2 343.471 1.900 20 0 EDADLP CC[C@@]1(CO)CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363881719 153083442 /nfs/dbraw/zinc/08/34/42/153083442.db2.gz COSHIXQJIVMYIN-QAPCUYQASA-N 2 2 338.496 1.101 20 0 EDADLP CC[C@@]1(CO)CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363881719 153083444 /nfs/dbraw/zinc/08/34/44/153083444.db2.gz COSHIXQJIVMYIN-QAPCUYQASA-N 2 2 338.496 1.101 20 0 EDADLP CC(C)Oc1cccnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370216617 155380856 /nfs/dbraw/zinc/38/08/56/155380856.db2.gz UANOTZAYQXDBHA-OAHLLOKOSA-N 2 2 346.475 1.767 20 0 EDADLP CC(C)Oc1cccnc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370216617 155380860 /nfs/dbraw/zinc/38/08/60/155380860.db2.gz UANOTZAYQXDBHA-OAHLLOKOSA-N 2 2 346.475 1.767 20 0 EDADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000364540479 153264252 /nfs/dbraw/zinc/26/42/52/153264252.db2.gz VPKWJZLUHFWWAH-HUUCEWRRSA-N 2 2 345.447 1.983 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)cn21 ZINC000364736301 153318853 /nfs/dbraw/zinc/31/88/53/153318853.db2.gz PTLSHQUYYQFPRB-URLQWDBASA-N 2 2 342.443 1.791 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)ccc21 ZINC000417227954 304385956 /nfs/dbraw/zinc/38/59/56/304385956.db2.gz VWKAQZWKMMUBJQ-KSZLIROESA-N 2 2 344.459 1.782 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)ccc21 ZINC000417227954 304385957 /nfs/dbraw/zinc/38/59/57/304385957.db2.gz VWKAQZWKMMUBJQ-KSZLIROESA-N 2 2 344.459 1.782 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000367372336 154093682 /nfs/dbraw/zinc/09/36/82/154093682.db2.gz SWPCMYMFIIUWTB-HZPDHXFCSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000367372336 154093683 /nfs/dbraw/zinc/09/36/83/154093683.db2.gz SWPCMYMFIIUWTB-HZPDHXFCSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000367372336 154093685 /nfs/dbraw/zinc/09/36/85/154093685.db2.gz SWPCMYMFIIUWTB-HZPDHXFCSA-N 2 2 333.480 1.325 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000367797050 154274397 /nfs/dbraw/zinc/27/43/97/154274397.db2.gz WKSOSQYKNIWUNP-MRXNPFEDSA-N 2 2 339.480 1.203 20 0 EDADLP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000367797050 154274399 /nfs/dbraw/zinc/27/43/99/154274399.db2.gz WKSOSQYKNIWUNP-MRXNPFEDSA-N 2 2 339.480 1.203 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCCC[NH+]1CCCC1 ZINC000367901092 154317802 /nfs/dbraw/zinc/31/78/02/154317802.db2.gz IHWVAXFSZXYWMI-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc4occc4c3)CCO2)CC1 ZINC000368032106 154375470 /nfs/dbraw/zinc/37/54/70/154375470.db2.gz XIQFIPOAQGAOSJ-GOSISDBHSA-N 2 2 329.444 1.881 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc4occc4c3)CCO2)CC1 ZINC000368032106 154375473 /nfs/dbraw/zinc/37/54/73/154375473.db2.gz XIQFIPOAQGAOSJ-GOSISDBHSA-N 2 2 329.444 1.881 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(Cc3cccnc3)nn1)CCC2 ZINC000371746347 156089534 /nfs/dbraw/zinc/08/95/34/156089534.db2.gz IOYTYMUDBZGSHB-MRXNPFEDSA-N 2 2 337.431 1.894 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000372031135 156217652 /nfs/dbraw/zinc/21/76/52/156217652.db2.gz LDHSLNYCSDJKFC-UHFFFAOYSA-N 2 2 339.403 1.696 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)CCC2 ZINC000372227117 156277794 /nfs/dbraw/zinc/27/77/94/156277794.db2.gz YPTNQXMAHQGWGW-NVXWUHKLSA-N 2 2 348.491 1.978 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000374253065 157213826 /nfs/dbraw/zinc/21/38/26/157213826.db2.gz DEVBIDGMEYSFOF-KRWDZBQOSA-N 2 2 338.540 1.732 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000374253065 157213829 /nfs/dbraw/zinc/21/38/29/157213829.db2.gz DEVBIDGMEYSFOF-KRWDZBQOSA-N 2 2 338.540 1.732 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000374350106 157256547 /nfs/dbraw/zinc/25/65/47/157256547.db2.gz BEDOGWTYUDCRGN-QGZVFWFLSA-N 2 2 346.475 1.271 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000374350106 157256549 /nfs/dbraw/zinc/25/65/49/157256549.db2.gz BEDOGWTYUDCRGN-QGZVFWFLSA-N 2 2 346.475 1.271 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000374471933 157301953 /nfs/dbraw/zinc/30/19/53/157301953.db2.gz OCPWZELQAOZQIH-HNNXBMFYSA-N 2 2 340.512 1.253 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000374471933 157301956 /nfs/dbraw/zinc/30/19/56/157301956.db2.gz OCPWZELQAOZQIH-HNNXBMFYSA-N 2 2 340.512 1.253 20 0 EDADLP CC(C)OCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374623346 157348803 /nfs/dbraw/zinc/34/88/03/157348803.db2.gz NLGGOSZWBDLKHX-KRWDZBQOSA-N 2 2 325.497 1.819 20 0 EDADLP CC(C)OCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374623346 157348806 /nfs/dbraw/zinc/34/88/06/157348806.db2.gz NLGGOSZWBDLKHX-KRWDZBQOSA-N 2 2 325.497 1.819 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000377896492 158023517 /nfs/dbraw/zinc/02/35/17/158023517.db2.gz APXIEECWHWAXMB-GFCCVEGCSA-N 2 2 343.353 1.601 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000378149991 158093001 /nfs/dbraw/zinc/09/30/01/158093001.db2.gz KUMLJYNQRYEAMA-LJQANCHMSA-N 2 2 343.471 1.477 20 0 EDADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000378159024 158096170 /nfs/dbraw/zinc/09/61/70/158096170.db2.gz BWOSTFUPSQQPRV-MRXNPFEDSA-N 2 2 334.489 1.519 20 0 EDADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000378159024 158096172 /nfs/dbraw/zinc/09/61/72/158096172.db2.gz BWOSTFUPSQQPRV-MRXNPFEDSA-N 2 2 334.489 1.519 20 0 EDADLP Cc1nccc(CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000378366496 158153710 /nfs/dbraw/zinc/15/37/10/158153710.db2.gz BNOPVLXFIGAFJE-AWEZNQCLSA-N 2 2 346.479 1.095 20 0 EDADLP Cc1nccc(CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000378366496 158153712 /nfs/dbraw/zinc/15/37/12/158153712.db2.gz BNOPVLXFIGAFJE-AWEZNQCLSA-N 2 2 346.479 1.095 20 0 EDADLP COc1ccccc1CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369262 158155245 /nfs/dbraw/zinc/15/52/45/158155245.db2.gz XWRKTRGAMIVXGK-INIZCTEOSA-N 2 2 345.487 1.865 20 0 EDADLP COc1ccccc1CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369262 158155247 /nfs/dbraw/zinc/15/52/47/158155247.db2.gz XWRKTRGAMIVXGK-INIZCTEOSA-N 2 2 345.487 1.865 20 0 EDADLP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[NH+](CC)CC ZINC000359796240 286730023 /nfs/dbraw/zinc/73/00/23/286730023.db2.gz NISMDPOQOUFUMD-IRXDYDNUSA-N 2 2 325.497 1.820 20 0 EDADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352388326 162156144 /nfs/dbraw/zinc/15/61/44/162156144.db2.gz OATBUZUXCMUILW-HNNXBMFYSA-N 2 2 333.432 1.314 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352439905 162183250 /nfs/dbraw/zinc/18/32/50/162183250.db2.gz XYBCONOXKLFVME-CQSZACIVSA-N 2 2 329.404 1.108 20 0 EDADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352518696 162226858 /nfs/dbraw/zinc/22/68/58/162226858.db2.gz JFTHVNBEAMLVFL-SJORKVTESA-N 2 2 330.476 1.610 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000077804531 287290964 /nfs/dbraw/zinc/29/09/64/287290964.db2.gz LPKJMYZBCCKUND-BBWFWOEESA-N 2 2 340.512 1.374 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000077804531 287290965 /nfs/dbraw/zinc/29/09/65/287290965.db2.gz LPKJMYZBCCKUND-BBWFWOEESA-N 2 2 340.512 1.374 20 0 EDADLP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000080676717 287308779 /nfs/dbraw/zinc/30/87/79/287308779.db2.gz XRDZEABPPNDBCI-DLBZAZTESA-N 2 2 342.528 1.904 20 0 EDADLP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000118898373 287348897 /nfs/dbraw/zinc/34/88/97/287348897.db2.gz RYZICIJZTZNCMT-AWEZNQCLSA-N 2 2 341.415 1.269 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158751264 225079189 /nfs/dbraw/zinc/07/91/89/225079189.db2.gz WZDHBQANGGUZPD-OALUTQOASA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158751264 225079195 /nfs/dbraw/zinc/07/91/95/225079195.db2.gz WZDHBQANGGUZPD-OALUTQOASA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000158751264 225079201 /nfs/dbraw/zinc/07/92/01/225079201.db2.gz WZDHBQANGGUZPD-OALUTQOASA-N 2 2 345.487 1.865 20 0 EDADLP COCc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000158751264 225079205 /nfs/dbraw/zinc/07/92/05/225079205.db2.gz WZDHBQANGGUZPD-OALUTQOASA-N 2 2 345.487 1.865 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122415689 287380202 /nfs/dbraw/zinc/38/02/02/287380202.db2.gz ZJUUTBZJMIIFDL-KFWWJZLASA-N 2 2 326.485 1.268 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000122415689 287380205 /nfs/dbraw/zinc/38/02/05/287380205.db2.gz ZJUUTBZJMIIFDL-KFWWJZLASA-N 2 2 326.485 1.268 20 0 EDADLP COC1(C(=O)NCCCn2c(C)[nH+]c3ccccc32)CC[NH2+]CC1 ZINC000163655035 226001937 /nfs/dbraw/zinc/00/19/37/226001937.db2.gz DPWBSANDFUSIPV-UHFFFAOYSA-N 2 2 330.432 1.620 20 0 EDADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418376630 304488204 /nfs/dbraw/zinc/48/82/04/304488204.db2.gz UYTAPFBWEUUQHI-MTIYJEKLSA-N 2 2 328.460 1.779 20 0 EDADLP C[NH+]1CCC(CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000122623653 222126896 /nfs/dbraw/zinc/12/68/96/222126896.db2.gz DHUMATQRPDSYEB-MRXNPFEDSA-N 2 2 331.464 1.691 20 0 EDADLP CC(C)OC1CC([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000189516949 272966018 /nfs/dbraw/zinc/96/60/18/272966018.db2.gz OFRGBVSOGWHEGI-UHFFFAOYSA-N 2 2 333.480 1.534 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000194147137 273000778 /nfs/dbraw/zinc/00/07/78/273000778.db2.gz XTOJUCFYYJWVLT-RYRKJORJSA-N 2 2 340.512 1.517 20 0 EDADLP [NH3+]CC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCCC1 ZINC000238053241 273013983 /nfs/dbraw/zinc/01/39/83/273013983.db2.gz WXZFTYPUUPSBDY-QGZVFWFLSA-N 2 2 331.460 1.695 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCc1cnccn1)c1ccccc1 ZINC000274574803 268161961 /nfs/dbraw/zinc/16/19/61/268161961.db2.gz GHOVUTUJYYUUIK-SFHVURJKSA-N 2 2 341.459 1.370 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCc1cnccn1)c1ccccc1 ZINC000274574803 268161962 /nfs/dbraw/zinc/16/19/62/268161962.db2.gz GHOVUTUJYYUUIK-SFHVURJKSA-N 2 2 341.459 1.370 20 0 EDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1sccc1C[NH+](C)C ZINC000274650353 268176179 /nfs/dbraw/zinc/17/61/79/268176179.db2.gz WQXHKNZZZZFSBX-AWEZNQCLSA-N 2 2 338.521 1.566 20 0 EDADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1sccc1C[NH+](C)C ZINC000274650353 268176182 /nfs/dbraw/zinc/17/61/82/268176182.db2.gz WQXHKNZZZZFSBX-AWEZNQCLSA-N 2 2 338.521 1.566 20 0 EDADLP CC[NH+]1CCN(c2cccc(NC(=O)NCc3[nH]cc[nH+]3)c2)CC1 ZINC000274811801 268212191 /nfs/dbraw/zinc/21/21/91/268212191.db2.gz MYNONEWZKDBTFC-UHFFFAOYSA-N 2 2 328.420 1.873 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274849631 268222349 /nfs/dbraw/zinc/22/23/49/268222349.db2.gz QUPZWXIMTOOAES-YCPHGPKFSA-N 2 2 332.448 1.331 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274849631 268222351 /nfs/dbraw/zinc/22/23/51/268222351.db2.gz QUPZWXIMTOOAES-YCPHGPKFSA-N 2 2 332.448 1.331 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274862600 268225350 /nfs/dbraw/zinc/22/53/50/268225350.db2.gz DCTZKVUIAFXFCM-HNNXBMFYSA-N 2 2 346.479 1.066 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000274862600 268225353 /nfs/dbraw/zinc/22/53/53/268225353.db2.gz DCTZKVUIAFXFCM-HNNXBMFYSA-N 2 2 346.479 1.066 20 0 EDADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274862600 268225355 /nfs/dbraw/zinc/22/53/55/268225355.db2.gz DCTZKVUIAFXFCM-HNNXBMFYSA-N 2 2 346.479 1.066 20 0 EDADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000274862600 268225357 /nfs/dbraw/zinc/22/53/57/268225357.db2.gz DCTZKVUIAFXFCM-HNNXBMFYSA-N 2 2 346.479 1.066 20 0 EDADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCN1C(=O)CNC1=O ZINC000274860228 268225655 /nfs/dbraw/zinc/22/56/55/268225655.db2.gz RSNBNQXLBARBLA-MRXNPFEDSA-N 2 2 332.448 1.284 20 0 EDADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCN1C(=O)CNC1=O ZINC000274860228 268225657 /nfs/dbraw/zinc/22/56/57/268225657.db2.gz RSNBNQXLBARBLA-MRXNPFEDSA-N 2 2 332.448 1.284 20 0 EDADLP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000275274427 268311691 /nfs/dbraw/zinc/31/16/91/268311691.db2.gz RIBKROHZRFQPGR-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000275274427 268311694 /nfs/dbraw/zinc/31/16/94/268311694.db2.gz RIBKROHZRFQPGR-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP Cc1[nH]nc(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000275529919 268355711 /nfs/dbraw/zinc/35/57/11/268355711.db2.gz CTILBEFCXFQLSI-CQSZACIVSA-N 2 2 342.447 1.545 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275749644 268372296 /nfs/dbraw/zinc/37/22/96/268372296.db2.gz WCGGOYIPVBIXBA-JKSUJKDBSA-N 2 2 344.459 1.756 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000275749644 268372298 /nfs/dbraw/zinc/37/22/98/268372298.db2.gz WCGGOYIPVBIXBA-JKSUJKDBSA-N 2 2 344.459 1.756 20 0 EDADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000275833691 268376498 /nfs/dbraw/zinc/37/64/98/268376498.db2.gz IDWZCADCWCGXCM-RTBURBONSA-N 2 2 342.491 1.553 20 0 EDADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000275833691 268376500 /nfs/dbraw/zinc/37/65/00/268376500.db2.gz IDWZCADCWCGXCM-RTBURBONSA-N 2 2 342.491 1.553 20 0 EDADLP COC1(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000277010002 268503786 /nfs/dbraw/zinc/50/37/86/268503786.db2.gz LDIJLECHBARMFZ-UHFFFAOYSA-N 3 2 348.491 1.379 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000274198074 273077085 /nfs/dbraw/zinc/07/70/85/273077085.db2.gz PULCMGSVUVEOSA-GOEBONIOSA-N 2 2 327.432 1.740 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000274198074 273077086 /nfs/dbraw/zinc/07/70/86/273077086.db2.gz PULCMGSVUVEOSA-GOEBONIOSA-N 2 2 327.432 1.740 20 0 EDADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000278364191 273261527 /nfs/dbraw/zinc/26/15/27/273261527.db2.gz RVMTVXTWDXCKNH-IAGOWNOFSA-N 2 2 346.431 1.113 20 0 EDADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000278364191 273261528 /nfs/dbraw/zinc/26/15/28/273261528.db2.gz RVMTVXTWDXCKNH-IAGOWNOFSA-N 2 2 346.431 1.113 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000279857232 273333977 /nfs/dbraw/zinc/33/39/77/273333977.db2.gz SGXNHRCIMZAWIR-GOSISDBHSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000279857232 273333979 /nfs/dbraw/zinc/33/39/79/273333979.db2.gz SGXNHRCIMZAWIR-GOSISDBHSA-N 2 2 345.487 1.342 20 0 EDADLP COC[C@@](C)(CCO)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283908775 274006565 /nfs/dbraw/zinc/00/65/65/274006565.db2.gz BTICGLWKNPARLE-RBUKOAKNSA-N 2 2 336.476 1.655 20 0 EDADLP COC[C@@](C)(CCO)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283908775 274006566 /nfs/dbraw/zinc/00/65/66/274006566.db2.gz BTICGLWKNPARLE-RBUKOAKNSA-N 2 2 336.476 1.655 20 0 EDADLP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284174818 274105726 /nfs/dbraw/zinc/10/57/26/274105726.db2.gz QYOZGUGJVIVIRZ-IPMKNSEASA-N 2 2 345.487 1.911 20 0 EDADLP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284174818 274105728 /nfs/dbraw/zinc/10/57/28/274105728.db2.gz QYOZGUGJVIVIRZ-IPMKNSEASA-N 2 2 345.487 1.911 20 0 EDADLP C[NH2+][C@H](C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)c1cnn(C)c1 ZINC000285712928 274626719 /nfs/dbraw/zinc/62/67/19/274626719.db2.gz DLJBEMKUEAHHMC-WBVHZDCISA-N 2 2 345.447 1.535 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000496154298 276072046 /nfs/dbraw/zinc/07/20/46/276072046.db2.gz WWTSXVJFPIFWJI-OAHLLOKOSA-N 2 2 333.432 1.314 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000496154298 276072047 /nfs/dbraw/zinc/07/20/47/276072047.db2.gz WWTSXVJFPIFWJI-OAHLLOKOSA-N 2 2 333.432 1.314 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000496154298 276072049 /nfs/dbraw/zinc/07/20/49/276072049.db2.gz WWTSXVJFPIFWJI-OAHLLOKOSA-N 2 2 333.432 1.314 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000496154298 276072050 /nfs/dbraw/zinc/07/20/50/276072050.db2.gz WWTSXVJFPIFWJI-OAHLLOKOSA-N 2 2 333.432 1.314 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000332960890 276263269 /nfs/dbraw/zinc/26/32/69/276263269.db2.gz RXUVCBBDEQMUCN-HOTGVXAUSA-N 2 2 348.495 1.150 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C)[C@H](c3[nH+]ccn3C)C2)C1 ZINC000332960890 276263270 /nfs/dbraw/zinc/26/32/70/276263270.db2.gz RXUVCBBDEQMUCN-HOTGVXAUSA-N 2 2 348.495 1.150 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000246200516 276386825 /nfs/dbraw/zinc/38/68/25/276386825.db2.gz VQTVQIZMRDRSCR-IAGOWNOFSA-N 2 2 334.439 1.064 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000246200516 276386826 /nfs/dbraw/zinc/38/68/26/276386826.db2.gz VQTVQIZMRDRSCR-IAGOWNOFSA-N 2 2 334.439 1.064 20 0 EDADLP COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346307130 277139141 /nfs/dbraw/zinc/13/91/41/277139141.db2.gz DBLZZKWBCSVKKZ-IAGOWNOFSA-N 2 2 344.415 1.728 20 0 EDADLP COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346307130 277139144 /nfs/dbraw/zinc/13/91/44/277139144.db2.gz DBLZZKWBCSVKKZ-IAGOWNOFSA-N 2 2 344.415 1.728 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000356237983 277384854 /nfs/dbraw/zinc/38/48/54/277384854.db2.gz SAAIFIFIZFOPSF-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000356237983 277384855 /nfs/dbraw/zinc/38/48/55/277384855.db2.gz SAAIFIFIZFOPSF-OAHLLOKOSA-N 2 2 326.485 1.127 20 0 EDADLP CCc1nc(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc(C)[nH+]1 ZINC000286240791 287965228 /nfs/dbraw/zinc/96/52/28/287965228.db2.gz UQOLWMZZNOZHLU-UHFFFAOYSA-N 2 2 345.491 1.872 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000371675241 278246456 /nfs/dbraw/zinc/24/64/56/278246456.db2.gz DXUDAYCDBHMGKH-HOCLYGCPSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000371675241 278246457 /nfs/dbraw/zinc/24/64/57/278246457.db2.gz DXUDAYCDBHMGKH-HOCLYGCPSA-N 2 2 331.464 1.610 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000286556667 288033637 /nfs/dbraw/zinc/03/36/37/288033637.db2.gz PRMAQHKGKVZAAX-GOEBONIOSA-N 2 2 347.463 1.152 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCc3c([nH+]cn3C)C2)C[C@@H](C)O1 ZINC000360973571 288066677 /nfs/dbraw/zinc/06/66/77/288066677.db2.gz UUTIZPRTTUCFER-ZIAGYGMSSA-N 2 2 349.479 1.376 20 0 EDADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000346244008 288069663 /nfs/dbraw/zinc/06/96/63/288069663.db2.gz UGUKTIDAEJDAQN-QAPCUYQASA-N 2 2 331.460 1.347 20 0 EDADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000346244008 288069668 /nfs/dbraw/zinc/06/96/68/288069668.db2.gz UGUKTIDAEJDAQN-QAPCUYQASA-N 2 2 331.460 1.347 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105103271 278868934 /nfs/dbraw/zinc/86/89/34/278868934.db2.gz LZXDUJQHMIQKFY-CVEARBPZSA-N 2 2 340.512 1.515 20 0 EDADLP CC[N@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000338261995 279030237 /nfs/dbraw/zinc/03/02/37/279030237.db2.gz GZXZNWIQMCOWPG-SFHVURJKSA-N 2 2 348.491 1.619 20 0 EDADLP CC[N@@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000338261995 279030239 /nfs/dbraw/zinc/03/02/39/279030239.db2.gz GZXZNWIQMCOWPG-SFHVURJKSA-N 2 2 348.491 1.619 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000287174478 288172739 /nfs/dbraw/zinc/17/27/39/288172739.db2.gz OSRXARZKAIKPIT-GDBMZVCRSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000287174480 288172913 /nfs/dbraw/zinc/17/29/13/288172913.db2.gz OSRXARZKAIKPIT-GOEBONIOSA-N 2 2 331.464 1.916 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2CC[NH2+]CC2(F)F)C[C@@H](C)O1 ZINC000342764999 288189603 /nfs/dbraw/zinc/18/96/03/288189603.db2.gz LHJNREBTYXXLFK-KBXIAJHMSA-N 2 2 345.434 1.331 20 0 EDADLP CC[C@@H](CSC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368360672 280156225 /nfs/dbraw/zinc/15/62/25/280156225.db2.gz KDKKFIINBKGIRE-HOCLYGCPSA-N 2 2 342.553 1.938 20 0 EDADLP CC[C@@H](CSC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368360672 280156227 /nfs/dbraw/zinc/15/62/27/280156227.db2.gz KDKKFIINBKGIRE-HOCLYGCPSA-N 2 2 342.553 1.938 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000287468644 288244570 /nfs/dbraw/zinc/24/45/70/288244570.db2.gz JJNLECGXAGQUJD-OAHLLOKOSA-N 2 2 345.447 1.469 20 0 EDADLP Cc1cc[nH+]c(C)c1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000287468644 288244572 /nfs/dbraw/zinc/24/45/72/288244572.db2.gz JJNLECGXAGQUJD-OAHLLOKOSA-N 2 2 345.447 1.469 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H](CNC(=O)N(C)CC[NH3+])c2cccs2)CCO1 ZINC000417826120 288251378 /nfs/dbraw/zinc/25/13/78/288251378.db2.gz MJDHJWBNMLECCR-CHWSQXEVSA-N 2 2 326.466 1.110 20 0 EDADLP C[C@@H]1C[N@H+]([C@H](CNC(=O)N(C)CC[NH3+])c2cccs2)CCO1 ZINC000417826120 288251380 /nfs/dbraw/zinc/25/13/80/288251380.db2.gz MJDHJWBNMLECCR-CHWSQXEVSA-N 2 2 326.466 1.110 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC[C@H]2CCc3[nH+]ccn3C2)[nH+]cn1 ZINC000288064480 288394967 /nfs/dbraw/zinc/39/49/67/288394967.db2.gz ADEWAXKDFGYCKB-ZIAGYGMSSA-N 2 2 328.420 1.309 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC[C@H]2CCc3[nH+]ccn3C2)nc[nH+]1 ZINC000288064480 288394971 /nfs/dbraw/zinc/39/49/71/288394971.db2.gz ADEWAXKDFGYCKB-ZIAGYGMSSA-N 2 2 328.420 1.309 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000290103239 288839903 /nfs/dbraw/zinc/83/99/03/288839903.db2.gz XVGDCHLBUOOMAN-IMJJTQAJSA-N 2 2 332.448 1.311 20 0 EDADLP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000291117359 289003568 /nfs/dbraw/zinc/00/35/68/289003568.db2.gz FDBKSVAGZZWQBH-UHFFFAOYSA-N 2 2 329.404 1.802 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000291568474 289109495 /nfs/dbraw/zinc/10/94/95/289109495.db2.gz NRGICWCNUYUXIH-UHFFFAOYSA-N 2 2 347.463 1.517 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000261798038 289162828 /nfs/dbraw/zinc/16/28/28/289162828.db2.gz VPBBTUIXHBMEBA-KRWDZBQOSA-N 2 2 341.402 1.617 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000261798038 289162830 /nfs/dbraw/zinc/16/28/30/289162830.db2.gz VPBBTUIXHBMEBA-KRWDZBQOSA-N 2 2 341.402 1.617 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000291965608 289227984 /nfs/dbraw/zinc/22/79/84/289227984.db2.gz VHKCATCTIHVUGP-XLIONFOSSA-N 2 2 345.487 1.175 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000291965608 289227988 /nfs/dbraw/zinc/22/79/88/289227988.db2.gz VHKCATCTIHVUGP-XLIONFOSSA-N 2 2 345.487 1.175 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292070848 289254357 /nfs/dbraw/zinc/25/43/57/289254357.db2.gz DOTVBHXBGOGKLC-YLJYHZDGSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292070848 289254359 /nfs/dbraw/zinc/25/43/59/289254359.db2.gz DOTVBHXBGOGKLC-YLJYHZDGSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292070848 289254361 /nfs/dbraw/zinc/25/43/61/289254361.db2.gz DOTVBHXBGOGKLC-YLJYHZDGSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292070848 289254364 /nfs/dbraw/zinc/25/43/64/289254364.db2.gz DOTVBHXBGOGKLC-YLJYHZDGSA-N 2 2 345.487 1.906 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(C(=O)OC)c1 ZINC000292124694 289267082 /nfs/dbraw/zinc/26/70/82/289267082.db2.gz KRPZUGRZYVOGPL-IBGZPJMESA-N 2 2 346.427 1.787 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc(C(=O)OC)c1 ZINC000292124694 289267084 /nfs/dbraw/zinc/26/70/84/289267084.db2.gz KRPZUGRZYVOGPL-IBGZPJMESA-N 2 2 346.427 1.787 20 0 EDADLP COC(=O)c1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc(C(=O)OC)c1 ZINC000292124694 289267086 /nfs/dbraw/zinc/26/70/86/289267086.db2.gz KRPZUGRZYVOGPL-IBGZPJMESA-N 2 2 346.427 1.787 20 0 EDADLP COC(=O)c1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc(C(=O)OC)c1 ZINC000292124694 289267087 /nfs/dbraw/zinc/26/70/87/289267087.db2.gz KRPZUGRZYVOGPL-IBGZPJMESA-N 2 2 346.427 1.787 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292147820 289273076 /nfs/dbraw/zinc/27/30/76/289273076.db2.gz NDQLOGDQWXBGLT-LJQANCHMSA-N 2 2 331.460 1.477 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292147820 289273079 /nfs/dbraw/zinc/27/30/79/289273079.db2.gz NDQLOGDQWXBGLT-LJQANCHMSA-N 2 2 331.460 1.477 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292147820 289273084 /nfs/dbraw/zinc/27/30/84/289273084.db2.gz NDQLOGDQWXBGLT-LJQANCHMSA-N 2 2 331.460 1.477 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292147820 289273087 /nfs/dbraw/zinc/27/30/87/289273087.db2.gz NDQLOGDQWXBGLT-LJQANCHMSA-N 2 2 331.460 1.477 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000292174123 289280803 /nfs/dbraw/zinc/28/08/03/289280803.db2.gz WGZMJRVCYZJZFK-RTBURBONSA-N 2 2 345.487 1.578 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000182200747 290178199 /nfs/dbraw/zinc/17/81/99/290178199.db2.gz BYCCBFAZYKGNFA-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000182200747 290178200 /nfs/dbraw/zinc/17/82/00/290178200.db2.gz BYCCBFAZYKGNFA-HZPDHXFCSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[NH+]1CCOCC1 ZINC000371083850 290204809 /nfs/dbraw/zinc/20/48/09/290204809.db2.gz AAZNSDVJGNSRDX-DAYGRLMNSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[NH+]1CCOCC1 ZINC000371083850 290204813 /nfs/dbraw/zinc/20/48/13/290204813.db2.gz AAZNSDVJGNSRDX-DAYGRLMNSA-N 2 2 346.475 1.582 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCO1 ZINC000459561214 297081278 /nfs/dbraw/zinc/08/12/78/297081278.db2.gz DKXUGCXWZKKOGQ-IEBWSBKVSA-N 2 2 347.503 1.848 20 0 EDADLP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCCC[N@H+]2CCO)CCO1 ZINC000459561214 297081280 /nfs/dbraw/zinc/08/12/80/297081280.db2.gz DKXUGCXWZKKOGQ-IEBWSBKVSA-N 2 2 347.503 1.848 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)C1CCCC1 ZINC000416991757 295243221 /nfs/dbraw/zinc/24/32/21/295243221.db2.gz YMDKNQRDUCYEQM-MRXNPFEDSA-N 2 2 347.463 1.235 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418519883 304507722 /nfs/dbraw/zinc/50/77/22/304507722.db2.gz BVFVYKGENUJJCK-QPJJXVBHSA-N 2 2 338.402 1.621 20 0 EDADLP C[C@H]1C[NH+](CCN(C)CC[N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000660139279 453070472 /nfs/dbraw/zinc/07/04/72/453070472.db2.gz QUYCMEFVYJBXPL-IRXDYDNUSA-N 3 2 326.529 1.053 20 0 EDADLP COc1c(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377706919 447306758 /nfs/dbraw/zinc/30/67/58/447306758.db2.gz UQTBWXSFGOQFEB-INIZCTEOSA-N 2 2 335.496 1.339 20 0 EDADLP COc1c(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)nn1C ZINC000377706919 447306762 /nfs/dbraw/zinc/30/67/62/447306762.db2.gz UQTBWXSFGOQFEB-INIZCTEOSA-N 2 2 335.496 1.339 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000365374116 300311319 /nfs/dbraw/zinc/31/13/19/300311319.db2.gz AXVXDNZSJRTIFT-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000365374116 300311322 /nfs/dbraw/zinc/31/13/22/300311322.db2.gz AXVXDNZSJRTIFT-HOTGVXAUSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000293803112 303021200 /nfs/dbraw/zinc/02/12/00/303021200.db2.gz YIJZRVAZRMDPOY-CRAIPNDOSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000293803112 303021201 /nfs/dbraw/zinc/02/12/01/303021201.db2.gz YIJZRVAZRMDPOY-CRAIPNDOSA-N 2 2 342.443 1.459 20 0 EDADLP Cc1cccc(C[NH+]2CCN(c3cc(NC[C@@H](C)O)[nH+]cn3)CC2)c1 ZINC000294411158 303103664 /nfs/dbraw/zinc/10/36/64/303103664.db2.gz NUZPOQPMRZGIJH-MRXNPFEDSA-N 2 2 341.459 1.900 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000294743687 303141856 /nfs/dbraw/zinc/14/18/56/303141856.db2.gz YKDCOXUNGDHZCV-JKIFEVAISA-N 2 2 335.448 1.840 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000294743687 303141859 /nfs/dbraw/zinc/14/18/59/303141859.db2.gz YKDCOXUNGDHZCV-JKIFEVAISA-N 2 2 335.448 1.840 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000295032075 303165141 /nfs/dbraw/zinc/16/51/41/303165141.db2.gz DIEGJUHSVRRVNJ-RHSMWYFYSA-N 2 2 337.439 1.979 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295032075 303165143 /nfs/dbraw/zinc/16/51/43/303165143.db2.gz DIEGJUHSVRRVNJ-RHSMWYFYSA-N 2 2 337.439 1.979 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H](C)[NH2+]C2CC2)[NH+]2CCOCC2)cc1 ZINC000296447364 303317309 /nfs/dbraw/zinc/31/73/09/303317309.db2.gz OACFDQYSQNPSHP-YJBOKZPZSA-N 2 2 331.460 1.625 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000352496117 303385821 /nfs/dbraw/zinc/38/58/21/303385821.db2.gz RYSVGFPOHVEHTP-AWEZNQCLSA-N 2 2 341.477 1.767 20 0 EDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000352496117 303385822 /nfs/dbraw/zinc/38/58/22/303385822.db2.gz RYSVGFPOHVEHTP-AWEZNQCLSA-N 2 2 341.477 1.767 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000414823401 447327738 /nfs/dbraw/zinc/32/77/38/447327738.db2.gz OMOJTYXTNWRHFH-CYBMUJFWSA-N 2 2 341.415 1.239 20 0 EDADLP C[C@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000414823401 447327745 /nfs/dbraw/zinc/32/77/45/447327745.db2.gz OMOJTYXTNWRHFH-CYBMUJFWSA-N 2 2 341.415 1.239 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000297489442 303404936 /nfs/dbraw/zinc/40/49/36/303404936.db2.gz WDMJTVDELRNLBM-MRXNPFEDSA-N 2 2 329.448 1.875 20 0 EDADLP NC(=O)c1c[nH+]ccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000302038027 303709252 /nfs/dbraw/zinc/70/92/52/303709252.db2.gz QGMYDDCZZUECEW-CQSZACIVSA-N 2 2 332.429 1.727 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000302180063 303716374 /nfs/dbraw/zinc/71/63/74/303716374.db2.gz ZBYUSPDTVLAOKJ-UHFFFAOYSA-N 2 2 336.403 1.396 20 0 EDADLP OC[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000411990332 303947091 /nfs/dbraw/zinc/94/70/91/303947091.db2.gz RDAHEIMCWSUXHX-QUCCMNQESA-N 2 2 347.503 1.576 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000422266552 304842378 /nfs/dbraw/zinc/84/23/78/304842378.db2.gz HHDNZQRQXHLEFL-UHFFFAOYSA-N 2 2 332.448 1.163 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422938922 304880672 /nfs/dbraw/zinc/88/06/72/304880672.db2.gz LITFCKSQHLLSDV-OBJOEFQTSA-N 2 2 343.265 1.919 20 0 EDADLP C[NH+](C)CC[C@](C)(O)CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425258353 304957653 /nfs/dbraw/zinc/95/76/53/304957653.db2.gz SPYZAGDNZAVPFE-APWZRJJASA-N 2 2 344.459 1.751 20 0 EDADLP CC(=O)N(C)c1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000426715033 304983123 /nfs/dbraw/zinc/98/31/23/304983123.db2.gz PLZAJRXMXYQTTG-UHFFFAOYSA-N 2 2 346.475 1.425 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000428038324 305004818 /nfs/dbraw/zinc/00/48/18/305004818.db2.gz XOXMNVVTYLKRNF-IEBWSBKVSA-N 2 2 342.487 1.327 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)c1 ZINC000428038324 305004819 /nfs/dbraw/zinc/00/48/19/305004819.db2.gz XOXMNVVTYLKRNF-IEBWSBKVSA-N 2 2 342.487 1.327 20 0 EDADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C2CC2)cc1 ZINC000428039371 305005106 /nfs/dbraw/zinc/00/51/06/305005106.db2.gz RMYNVDWVVBSAOR-QFBILLFUSA-N 2 2 343.471 1.870 20 0 EDADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C2CC2)cc1 ZINC000428039371 305005107 /nfs/dbraw/zinc/00/51/07/305005107.db2.gz RMYNVDWVVBSAOR-QFBILLFUSA-N 2 2 343.471 1.870 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCCCSc1ccccc1 ZINC000428054900 305005922 /nfs/dbraw/zinc/00/59/22/305005922.db2.gz PKVGSMFQDBRUGN-NVXWUHKLSA-N 2 2 333.501 1.969 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCCCSc1ccccc1 ZINC000428054900 305005923 /nfs/dbraw/zinc/00/59/23/305005923.db2.gz PKVGSMFQDBRUGN-NVXWUHKLSA-N 2 2 333.501 1.969 20 0 EDADLP [NH3+]C[C@@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000429080083 305023768 /nfs/dbraw/zinc/02/37/68/305023768.db2.gz XSFWYUZKBYHAHY-AWEZNQCLSA-N 2 2 341.415 1.333 20 0 EDADLP C[C@H]1CN(C(=O)NC2CC(F)(F)C2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000429225833 305025847 /nfs/dbraw/zinc/02/58/47/305025847.db2.gz HYUQOBXQQJLFSH-LBPRGKRZSA-N 2 2 330.423 1.594 20 0 EDADLP C[C@H]1CN(C(=O)NC2CC(F)(F)C2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000429225833 305025848 /nfs/dbraw/zinc/02/58/48/305025848.db2.gz HYUQOBXQQJLFSH-LBPRGKRZSA-N 2 2 330.423 1.594 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430261224 305049152 /nfs/dbraw/zinc/04/91/52/305049152.db2.gz UJHBQJMFCKLYMU-OAHLLOKOSA-N 2 2 337.468 1.198 20 0 EDADLP C[C@@]1(CNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)CCOC1 ZINC000430537903 305055841 /nfs/dbraw/zinc/05/58/41/305055841.db2.gz IOHUBTHZLMYGHD-HKUYNNGSSA-N 2 2 342.443 1.344 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000430573171 305056526 /nfs/dbraw/zinc/05/65/26/305056526.db2.gz GTKJYZHSNRQCCP-IBGZPJMESA-N 3 2 330.476 1.048 20 0 EDADLP C[C@@](C[NH3+])(NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000430573171 305056527 /nfs/dbraw/zinc/05/65/27/305056527.db2.gz GTKJYZHSNRQCCP-IBGZPJMESA-N 2 2 330.476 1.048 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430583329 305057043 /nfs/dbraw/zinc/05/70/43/305057043.db2.gz XVAWBKUAMJTPDZ-KBPBESRZSA-N 2 2 339.867 1.894 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430583329 305057044 /nfs/dbraw/zinc/05/70/44/305057044.db2.gz XVAWBKUAMJTPDZ-KBPBESRZSA-N 2 2 339.867 1.894 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(OC(F)F)cc1)CC(C)(C)C[NH3+] ZINC000430585829 305057131 /nfs/dbraw/zinc/05/71/31/305057131.db2.gz RKBOOJBVPHCFJY-UHFFFAOYSA-N 2 2 329.391 1.821 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(OC(F)F)cc1)CC(C)(C)C[NH3+] ZINC000430585829 305057132 /nfs/dbraw/zinc/05/71/32/305057132.db2.gz RKBOOJBVPHCFJY-UHFFFAOYSA-N 2 2 329.391 1.821 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCCc3cc(OC)ccc32)C1 ZINC000430599281 305057931 /nfs/dbraw/zinc/05/79/31/305057931.db2.gz GFVINJJMUJENNU-HNNXBMFYSA-N 2 2 331.460 1.906 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCCc3cc(OC)ccc32)C1 ZINC000430599281 305057932 /nfs/dbraw/zinc/05/79/32/305057932.db2.gz GFVINJJMUJENNU-HNNXBMFYSA-N 2 2 331.460 1.906 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430602094 305058055 /nfs/dbraw/zinc/05/80/55/305058055.db2.gz GETMWJFMQLLZDP-KBPBESRZSA-N 2 2 333.432 1.716 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430602094 305058056 /nfs/dbraw/zinc/05/80/56/305058056.db2.gz GETMWJFMQLLZDP-KBPBESRZSA-N 2 2 333.432 1.716 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430615804 305059073 /nfs/dbraw/zinc/05/90/73/305059073.db2.gz DELAZBQDHQCSSF-CVEARBPZSA-N 2 2 347.459 1.346 20 0 EDADLP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430615804 305059074 /nfs/dbraw/zinc/05/90/74/305059074.db2.gz DELAZBQDHQCSSF-CVEARBPZSA-N 2 2 347.459 1.346 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430625200 305059904 /nfs/dbraw/zinc/05/99/04/305059904.db2.gz PWOOTPWAISKKSG-UHFFFAOYSA-N 2 2 325.840 1.649 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430625200 305059905 /nfs/dbraw/zinc/05/99/05/305059905.db2.gz PWOOTPWAISKKSG-UHFFFAOYSA-N 2 2 325.840 1.649 20 0 EDADLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)COC2C[NH2+]C2)c1 ZINC000430722456 305063289 /nfs/dbraw/zinc/06/32/89/305063289.db2.gz MUEUDXVTDSBWIW-UHFFFAOYSA-N 2 2 346.456 1.702 20 0 EDADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)COC2C[NH2+]C2)c1 ZINC000430722456 305063290 /nfs/dbraw/zinc/06/32/90/305063290.db2.gz MUEUDXVTDSBWIW-UHFFFAOYSA-N 2 2 346.456 1.702 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@H]1[NH3+] ZINC000430915625 305067769 /nfs/dbraw/zinc/06/77/69/305067769.db2.gz DNRMCFJIVUBKLU-CHWSQXEVSA-N 2 2 332.473 1.624 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NCCc2nc3ccccc3s2)CC[C@H]1[NH3+] ZINC000430915625 305067770 /nfs/dbraw/zinc/06/77/70/305067770.db2.gz DNRMCFJIVUBKLU-CHWSQXEVSA-N 2 2 332.473 1.624 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000430927335 305068605 /nfs/dbraw/zinc/06/86/05/305068605.db2.gz IGSNNHDMILWECF-SWLSCSKDSA-N 2 2 341.402 1.616 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000430927335 305068606 /nfs/dbraw/zinc/06/86/06/305068606.db2.gz IGSNNHDMILWECF-SWLSCSKDSA-N 2 2 341.402 1.616 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430931046 305068764 /nfs/dbraw/zinc/06/87/64/305068764.db2.gz CDNTVMIDVXWHJY-KGLIPLIRSA-N 2 2 333.432 1.716 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430931046 305068765 /nfs/dbraw/zinc/06/87/65/305068765.db2.gz CDNTVMIDVXWHJY-KGLIPLIRSA-N 2 2 333.432 1.716 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@H]1[NH3+] ZINC000430958895 305070914 /nfs/dbraw/zinc/07/09/14/305070914.db2.gz ZUNICORXHAEBMZ-GDBMZVCRSA-N 2 2 336.505 1.061 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@H]1[NH3+] ZINC000430958895 305070915 /nfs/dbraw/zinc/07/09/15/305070915.db2.gz ZUNICORXHAEBMZ-GDBMZVCRSA-N 2 2 336.505 1.061 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430961667 305071036 /nfs/dbraw/zinc/07/10/36/305071036.db2.gz FJYDMDPFRPBQQG-DZGCQCFKSA-N 2 2 335.448 1.032 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000430961667 305071037 /nfs/dbraw/zinc/07/10/37/305071037.db2.gz FJYDMDPFRPBQQG-DZGCQCFKSA-N 2 2 335.448 1.032 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000431828698 305083453 /nfs/dbraw/zinc/08/34/53/305083453.db2.gz SPPXFCSXUVOWOZ-OFLPRAFFSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000431828698 305083454 /nfs/dbraw/zinc/08/34/54/305083454.db2.gz SPPXFCSXUVOWOZ-OFLPRAFFSA-N 2 2 325.497 1.724 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]CC[NH+]2CCC(C)CC2)CC(=O)N1C ZINC000431956484 305085166 /nfs/dbraw/zinc/08/51/66/305085166.db2.gz UVZHQKVVFHDVIS-VQIMIIECSA-N 2 2 347.507 1.630 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@@H]1C ZINC000434457853 305123210 /nfs/dbraw/zinc/12/32/10/305123210.db2.gz ZCOXRISMKPAPQF-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCOCC3)CC2)C[C@@H]1C ZINC000434457853 305123211 /nfs/dbraw/zinc/12/32/11/305123211.db2.gz ZCOXRISMKPAPQF-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000435060006 305135833 /nfs/dbraw/zinc/13/58/33/305135833.db2.gz ZRKASJMEMJWSHS-OAHLLOKOSA-N 2 2 346.479 1.066 20 0 EDADLP CCOc1cc(C[N@H+](C)[C@H](C)C[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000435382203 305139558 /nfs/dbraw/zinc/13/95/58/305139558.db2.gz CFEQQZOCUMZVLO-KGLIPLIRSA-N 2 2 337.464 1.720 20 0 EDADLP CCOc1cc(C[N@@H+](C)[C@H](C)C[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000435382203 305139559 /nfs/dbraw/zinc/13/95/59/305139559.db2.gz CFEQQZOCUMZVLO-KGLIPLIRSA-N 2 2 337.464 1.720 20 0 EDADLP C[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435621850 305143664 /nfs/dbraw/zinc/14/36/64/305143664.db2.gz ASUGFVSNQYDCSH-INIZCTEOSA-N 2 2 348.466 1.548 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435621850 305143665 /nfs/dbraw/zinc/14/36/65/305143665.db2.gz ASUGFVSNQYDCSH-INIZCTEOSA-N 2 2 348.466 1.548 20 0 EDADLP CCn1ccnc1C[N@H+](CCN1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690188 305145379 /nfs/dbraw/zinc/14/53/79/305145379.db2.gz BUJMXCZTWKMLDC-KRWDZBQOSA-N 2 2 347.507 1.179 20 0 EDADLP CCn1ccnc1C[N@@H+](CCN1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435690188 305145380 /nfs/dbraw/zinc/14/53/80/305145380.db2.gz BUJMXCZTWKMLDC-KRWDZBQOSA-N 2 2 347.507 1.179 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000438114049 305181491 /nfs/dbraw/zinc/18/14/91/305181491.db2.gz HFRBPJJJAAAWFP-WMZOPIPTSA-N 2 2 348.491 1.979 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000438114049 305181492 /nfs/dbraw/zinc/18/14/92/305181492.db2.gz HFRBPJJJAAAWFP-WMZOPIPTSA-N 2 2 348.491 1.979 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000438114049 305181493 /nfs/dbraw/zinc/18/14/93/305181493.db2.gz HFRBPJJJAAAWFP-WMZOPIPTSA-N 2 2 348.491 1.979 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000438114049 305181494 /nfs/dbraw/zinc/18/14/94/305181494.db2.gz HFRBPJJJAAAWFP-WMZOPIPTSA-N 2 2 348.491 1.979 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440137243 305203448 /nfs/dbraw/zinc/20/34/48/305203448.db2.gz SYGYLCRMRAHBGA-DLBZAZTESA-N 3 2 347.507 1.320 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440137243 305203449 /nfs/dbraw/zinc/20/34/49/305203449.db2.gz SYGYLCRMRAHBGA-DLBZAZTESA-N 3 2 347.507 1.320 20 0 EDADLP CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000442974143 305232393 /nfs/dbraw/zinc/23/23/93/305232393.db2.gz BGSCUFCTRWFNNA-INIZCTEOSA-N 2 2 348.472 1.694 20 0 EDADLP CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000442974143 305232394 /nfs/dbraw/zinc/23/23/94/305232394.db2.gz BGSCUFCTRWFNNA-INIZCTEOSA-N 2 2 348.472 1.694 20 0 EDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000444766685 305252554 /nfs/dbraw/zinc/25/25/54/305252554.db2.gz NESWSRKZGJTXQU-JTQLQIEISA-N 2 2 346.294 1.935 20 0 EDADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000447525933 305281489 /nfs/dbraw/zinc/28/14/89/305281489.db2.gz AHQDRGUWPICGDU-DOTOQJQBSA-N 2 2 328.464 1.510 20 0 EDADLP COc1nccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000449145411 305307745 /nfs/dbraw/zinc/30/77/45/305307745.db2.gz XVCWKNWWISODFM-YOEHRIQHSA-N 2 2 327.432 1.880 20 0 EDADLP COc1nccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000449145411 305307746 /nfs/dbraw/zinc/30/77/46/305307746.db2.gz XVCWKNWWISODFM-YOEHRIQHSA-N 2 2 327.432 1.880 20 0 EDADLP O[C@@H]1CC[N@H+](Cc2cc(C[NH+]3CC[C@H](O)C3)cc(C(F)(F)F)c2)C1 ZINC000450609927 305330893 /nfs/dbraw/zinc/33/08/93/305330893.db2.gz FLTBRYWWVIGIMK-IYBDPMFKSA-N 2 2 344.377 1.839 20 0 EDADLP O[C@@H]1CC[N@@H+](Cc2cc(C[NH+]3CC[C@H](O)C3)cc(C(F)(F)F)c2)C1 ZINC000450609927 305330894 /nfs/dbraw/zinc/33/08/94/305330894.db2.gz FLTBRYWWVIGIMK-IYBDPMFKSA-N 2 2 344.377 1.839 20 0 EDADLP O[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@H](O)C3)cc(C(F)(F)F)c2)C1 ZINC000450609927 305330895 /nfs/dbraw/zinc/33/08/95/305330895.db2.gz FLTBRYWWVIGIMK-IYBDPMFKSA-N 2 2 344.377 1.839 20 0 EDADLP O[C@@H]1CC[NH+](Cc2cc(C[N@H+]3CC[C@H](O)C3)cc(C(F)(F)F)c2)C1 ZINC000450609927 305330896 /nfs/dbraw/zinc/33/08/96/305330896.db2.gz FLTBRYWWVIGIMK-IYBDPMFKSA-N 2 2 344.377 1.839 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH2+][C@@H]3COCC3(C)C)CC2)c1 ZINC000451825022 305371117 /nfs/dbraw/zinc/37/11/17/305371117.db2.gz NBJISTBXOVSYOC-GOSISDBHSA-N 2 2 345.487 1.654 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000458676243 305506843 /nfs/dbraw/zinc/50/68/43/305506843.db2.gz BTTMXHJATYTOSD-UHFFFAOYSA-N 2 2 329.448 1.566 20 0 EDADLP Cc1cc(N2CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000515644786 305725966 /nfs/dbraw/zinc/72/59/66/305725966.db2.gz JYVJCEBNMCDJLB-ZIAGYGMSSA-N 2 2 348.495 1.866 20 0 EDADLP COC(=O)COC[C@H](C)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000449192011 447366784 /nfs/dbraw/zinc/36/67/84/447366784.db2.gz XSUUDTNNCCUZOA-INIZCTEOSA-N 2 2 342.480 1.437 20 0 EDADLP CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000532147525 305975319 /nfs/dbraw/zinc/97/53/19/305975319.db2.gz NMDACZCAPMRVCU-INIZCTEOSA-N 2 2 345.447 1.226 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@@H](C)[NH+]3CCCC3)ccc2[nH+]1 ZINC000540273739 306039154 /nfs/dbraw/zinc/03/91/54/306039154.db2.gz RVMMMUBZFAPTOV-CYBMUJFWSA-N 2 2 329.404 1.182 20 0 EDADLP COCC(=O)N1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000542306087 306053005 /nfs/dbraw/zinc/05/30/05/306053005.db2.gz MTLWKEGNUJNLMJ-UHFFFAOYSA-N 2 2 334.445 1.661 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000547628455 306105509 /nfs/dbraw/zinc/10/55/09/306105509.db2.gz RFCNGBYLZNRVGW-OAGGEKHMSA-N 2 2 347.463 1.141 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548391518 306126368 /nfs/dbraw/zinc/12/63/68/306126368.db2.gz MCIQNEOELVBYDJ-INIZCTEOSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548391518 306126369 /nfs/dbraw/zinc/12/63/69/306126369.db2.gz MCIQNEOELVBYDJ-INIZCTEOSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@H]1C[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000548754638 306136686 /nfs/dbraw/zinc/13/66/86/306136686.db2.gz BORVARDESZMXOJ-HOTGVXAUSA-N 2 2 331.460 1.618 20 0 EDADLP CCNc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000553636377 306186899 /nfs/dbraw/zinc/18/68/99/306186899.db2.gz YSPZWWCZUJLVBR-PBWFPOADSA-N 2 2 347.511 1.997 20 0 EDADLP CCNc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(NC(C)(C)C)[nH+]1 ZINC000553636377 306186900 /nfs/dbraw/zinc/18/69/00/306186900.db2.gz YSPZWWCZUJLVBR-PBWFPOADSA-N 2 2 347.511 1.997 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000553636377 306186901 /nfs/dbraw/zinc/18/69/01/306186901.db2.gz YSPZWWCZUJLVBR-PBWFPOADSA-N 2 2 347.511 1.997 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000553636377 306186902 /nfs/dbraw/zinc/18/69/02/306186902.db2.gz YSPZWWCZUJLVBR-PBWFPOADSA-N 2 2 347.511 1.997 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000553636377 306186903 /nfs/dbraw/zinc/18/69/03/306186903.db2.gz YSPZWWCZUJLVBR-PBWFPOADSA-N 2 2 347.511 1.997 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000553636377 306186904 /nfs/dbraw/zinc/18/69/04/306186904.db2.gz YSPZWWCZUJLVBR-PBWFPOADSA-N 2 2 347.511 1.997 20 0 EDADLP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1nc(C(C)(C)C)cs1 ZINC000554861970 306198712 /nfs/dbraw/zinc/19/87/12/306198712.db2.gz VKNQXCDZQKQZTA-ZIAGYGMSSA-N 2 2 340.537 1.700 20 0 EDADLP C[C@H](CCNC(=O)C(=O)NCCCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000556647656 306212544 /nfs/dbraw/zinc/21/25/44/306212544.db2.gz JZMVJGPHNVTSQV-MRXNPFEDSA-N 2 2 349.479 1.160 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c[nH+]1 ZINC000557231994 306227054 /nfs/dbraw/zinc/22/70/54/306227054.db2.gz WPKSYVLPTIZYEM-KRWDZBQOSA-N 2 2 325.416 1.950 20 0 EDADLP COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000449449553 447373718 /nfs/dbraw/zinc/37/37/18/447373718.db2.gz DLASMSFUNJFMNH-OAHLLOKOSA-N 2 2 327.450 1.216 20 0 EDADLP COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000449449553 447373723 /nfs/dbraw/zinc/37/37/23/447373723.db2.gz DLASMSFUNJFMNH-OAHLLOKOSA-N 2 2 327.450 1.216 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)s1 ZINC000377817020 447372558 /nfs/dbraw/zinc/37/25/58/447372558.db2.gz OKBYEESIHCXNJB-DLBZAZTESA-N 2 2 348.516 1.731 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000414967063 447376571 /nfs/dbraw/zinc/37/65/71/447376571.db2.gz PKQYOURBQSVTCH-SFHVURJKSA-N 2 2 326.444 1.654 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000414979911 447383418 /nfs/dbraw/zinc/38/34/18/447383418.db2.gz VEOIMOMYNKTBGF-YSTOQKLRSA-N 3 2 328.504 1.390 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414979911 447383424 /nfs/dbraw/zinc/38/34/24/447383424.db2.gz VEOIMOMYNKTBGF-YSTOQKLRSA-N 3 2 328.504 1.390 20 0 EDADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000378191847 447406572 /nfs/dbraw/zinc/40/65/72/447406572.db2.gz KMOMQLKMXLZQOF-IRXDYDNUSA-N 2 2 341.459 2.447 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000456586821 447417722 /nfs/dbraw/zinc/41/77/22/447417722.db2.gz LYMQIIXVLMLIEA-UHFFFAOYSA-N 2 2 328.416 1.367 20 0 EDADLP CC[C@H](C)[C@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)OC ZINC000458577212 447418951 /nfs/dbraw/zinc/41/89/51/447418951.db2.gz CWJKWDVNNIKVBX-HOCLYGCPSA-N 2 2 328.501 1.373 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000458579892 447419639 /nfs/dbraw/zinc/41/96/39/447419639.db2.gz FBOGYRFRTKFEBV-INIZCTEOSA-N 3 2 339.528 1.138 20 0 EDADLP Cc1cc(N2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000044714065 440877770 /nfs/dbraw/zinc/87/77/70/440877770.db2.gz QHUDVJGRFHYXBG-HUUCEWRRSA-N 2 2 345.491 1.720 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCOc2ccccc2F)CC1 ZINC000070870136 441125046 /nfs/dbraw/zinc/12/50/46/441125046.db2.gz SRKQHZAZHZKDCM-OAHLLOKOSA-N 2 2 337.439 1.689 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOc2ccccc2F)CC1 ZINC000070870136 441125051 /nfs/dbraw/zinc/12/50/51/441125051.db2.gz SRKQHZAZHZKDCM-OAHLLOKOSA-N 2 2 337.439 1.689 20 0 EDADLP CCCC[N@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000070947780 441128331 /nfs/dbraw/zinc/12/83/31/441128331.db2.gz BWNAHCTVZNQDBA-UHFFFAOYSA-N 2 2 349.475 1.552 20 0 EDADLP CCCC[N@@H+](CCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000070947780 441128338 /nfs/dbraw/zinc/12/83/38/441128338.db2.gz BWNAHCTVZNQDBA-UHFFFAOYSA-N 2 2 349.475 1.552 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000105141181 441237797 /nfs/dbraw/zinc/23/77/97/441237797.db2.gz GPKHGVJBXKMSKZ-UHFFFAOYSA-N 2 2 334.464 1.222 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105301796 441249069 /nfs/dbraw/zinc/24/90/69/441249069.db2.gz IFSDMEGOFKCADY-JKSUJKDBSA-N 2 2 328.501 1.325 20 0 EDADLP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105300108 441249496 /nfs/dbraw/zinc/24/94/96/441249496.db2.gz KMPMHUMZTQTEPA-HZPDHXFCSA-N 2 2 340.512 1.707 20 0 EDADLP CC(C)[C@@H](CNC(=O)NCc1cn2ccccc2[nH+]1)[NH+]1CCOCC1 ZINC000048016979 441250407 /nfs/dbraw/zinc/25/04/07/441250407.db2.gz UDMAHNUFJCPECY-MRXNPFEDSA-N 2 2 345.447 1.490 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000072794589 441259154 /nfs/dbraw/zinc/25/91/54/441259154.db2.gz KCAAHEKRJFQBBB-MBNRZODZSA-N 2 2 343.471 1.565 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000072794589 441259158 /nfs/dbraw/zinc/25/91/58/441259158.db2.gz KCAAHEKRJFQBBB-MBNRZODZSA-N 2 2 343.471 1.565 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000061659974 441284615 /nfs/dbraw/zinc/28/46/15/441284615.db2.gz XMTIRHLRLAJGGM-UHFFFAOYSA-N 2 2 333.436 1.144 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000061659974 441284618 /nfs/dbraw/zinc/28/46/18/441284618.db2.gz XMTIRHLRLAJGGM-UHFFFAOYSA-N 2 2 333.436 1.144 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000061757914 441287601 /nfs/dbraw/zinc/28/76/01/441287601.db2.gz HTRIDSXWZTZFML-UHFFFAOYSA-N 2 2 325.840 1.425 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2OC)C1 ZINC000081572282 441290693 /nfs/dbraw/zinc/29/06/93/441290693.db2.gz DNSQFICCZUGRAZ-INIZCTEOSA-N 2 2 333.476 1.975 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2OC)C1 ZINC000081572282 441290697 /nfs/dbraw/zinc/29/06/97/441290697.db2.gz DNSQFICCZUGRAZ-INIZCTEOSA-N 2 2 333.476 1.975 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000081572282 441290701 /nfs/dbraw/zinc/29/07/01/441290701.db2.gz DNSQFICCZUGRAZ-INIZCTEOSA-N 2 2 333.476 1.975 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000081572282 441290705 /nfs/dbraw/zinc/29/07/05/441290705.db2.gz DNSQFICCZUGRAZ-INIZCTEOSA-N 2 2 333.476 1.975 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000073472138 441319851 /nfs/dbraw/zinc/31/98/51/441319851.db2.gz PLVOTSKZXRZPCT-UHFFFAOYSA-N 2 2 325.416 1.936 20 0 EDADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000081631369 441296956 /nfs/dbraw/zinc/29/69/56/441296956.db2.gz UCQQVBYRMXXKEW-MRXNPFEDSA-N 2 2 348.491 1.515 20 0 EDADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000081631369 441296958 /nfs/dbraw/zinc/29/69/58/441296958.db2.gz UCQQVBYRMXXKEW-MRXNPFEDSA-N 2 2 348.491 1.515 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000081631369 441296959 /nfs/dbraw/zinc/29/69/59/441296959.db2.gz UCQQVBYRMXXKEW-MRXNPFEDSA-N 2 2 348.491 1.515 20 0 EDADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000081631369 441296962 /nfs/dbraw/zinc/29/69/62/441296962.db2.gz UCQQVBYRMXXKEW-MRXNPFEDSA-N 2 2 348.491 1.515 20 0 EDADLP CCCCNC(=O)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876008 441304227 /nfs/dbraw/zinc/30/42/27/441304227.db2.gz SJBLIAQREDPCHD-UHFFFAOYSA-N 2 2 335.452 1.301 20 0 EDADLP COCC[N@H+](C)CC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000073386687 441314250 /nfs/dbraw/zinc/31/42/50/441314250.db2.gz AIDQFQPSIDDZGI-QGZVFWFLSA-N 2 2 330.432 1.709 20 0 EDADLP COCC[N@@H+](C)CC[C@@H](NC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC000073386687 441314252 /nfs/dbraw/zinc/31/42/52/441314252.db2.gz AIDQFQPSIDDZGI-QGZVFWFLSA-N 2 2 330.432 1.709 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Cn1cc[nH+]c1 ZINC000081800017 441315717 /nfs/dbraw/zinc/31/57/17/441315717.db2.gz QMUBOPQIBLVXKZ-AEFFLSMTSA-N 2 2 342.443 1.536 20 0 EDADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Cn1cc[nH+]c1 ZINC000081800017 441315719 /nfs/dbraw/zinc/31/57/19/441315719.db2.gz QMUBOPQIBLVXKZ-AEFFLSMTSA-N 2 2 342.443 1.536 20 0 EDADLP C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000105931524 441319033 /nfs/dbraw/zinc/31/90/33/441319033.db2.gz WMQITIDBELEVNK-KRWDZBQOSA-N 2 2 341.459 1.206 20 0 EDADLP CC(C)[C@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)[NH+](C)C ZINC000106902674 441386345 /nfs/dbraw/zinc/38/63/45/441386345.db2.gz PVVSTSYVFJSCOA-GOSISDBHSA-N 2 2 343.475 1.565 20 0 EDADLP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Cn1cc[nH+]c1 ZINC000073882923 441365132 /nfs/dbraw/zinc/36/51/32/441365132.db2.gz YJASNIYURGBLLP-UHFFFAOYSA-N 2 2 327.432 1.164 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000107263010 441406049 /nfs/dbraw/zinc/40/60/49/441406049.db2.gz NJPVYWUEJSJDQW-UHFFFAOYSA-N 2 2 337.427 1.862 20 0 EDADLP Cc1cc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC000051280824 441406515 /nfs/dbraw/zinc/40/65/15/441406515.db2.gz ZXJXNCVVQSESRS-UHFFFAOYSA-N 2 2 335.452 1.341 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](CC(N)=O)CC(C)C)c2cc1C ZINC000051735898 441421978 /nfs/dbraw/zinc/42/19/78/441421978.db2.gz PBEURAIPXJQIBJ-HNNXBMFYSA-N 2 2 332.448 1.457 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](CC(N)=O)CC(C)C)c2cc1C ZINC000051735898 441421980 /nfs/dbraw/zinc/42/19/80/441421980.db2.gz PBEURAIPXJQIBJ-HNNXBMFYSA-N 2 2 332.448 1.457 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000085403009 441438733 /nfs/dbraw/zinc/43/87/33/441438733.db2.gz OIVVZVRDDSMBQS-QXSJWSMHSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000085403009 441438738 /nfs/dbraw/zinc/43/87/38/441438738.db2.gz OIVVZVRDDSMBQS-QXSJWSMHSA-N 2 2 326.485 1.077 20 0 EDADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000074181104 441403816 /nfs/dbraw/zinc/40/38/16/441403816.db2.gz VPOIERXHARQYHW-QGZVFWFLSA-N 2 2 345.491 1.004 20 0 EDADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000074181104 441403822 /nfs/dbraw/zinc/40/38/22/441403822.db2.gz VPOIERXHARQYHW-QGZVFWFLSA-N 2 2 345.491 1.004 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1CO)N1CC[NH+](Cc2cccs2)CC1 ZINC000052871116 441483421 /nfs/dbraw/zinc/48/34/21/441483421.db2.gz IHYFGJPJMXVABG-OAHLLOKOSA-N 2 2 337.489 1.239 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1CO)N1CC[NH+](Cc2cccs2)CC1 ZINC000052871116 441483425 /nfs/dbraw/zinc/48/34/25/441483425.db2.gz IHYFGJPJMXVABG-OAHLLOKOSA-N 2 2 337.489 1.239 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000109379229 441498343 /nfs/dbraw/zinc/49/83/43/441498343.db2.gz QHKYLCYZHMPCCD-RTBURBONSA-N 2 2 342.487 1.504 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000109379229 441498346 /nfs/dbraw/zinc/49/83/46/441498346.db2.gz QHKYLCYZHMPCCD-RTBURBONSA-N 2 2 342.487 1.504 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC([NH2+]C(C)C)CC2)CC1 ZINC000108369447 441450325 /nfs/dbraw/zinc/45/03/25/441450325.db2.gz MWQGJZJKFCPFCU-AWEZNQCLSA-N 2 2 339.480 1.249 20 0 EDADLP Cn1cccc1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767405 441465473 /nfs/dbraw/zinc/46/54/73/441465473.db2.gz TZMVXMTVTOPULQ-UHFFFAOYSA-N 2 2 347.507 1.775 20 0 EDADLP Cc1ccc(CCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000111886921 441543026 /nfs/dbraw/zinc/54/30/26/441543026.db2.gz OZTJCQROOROTTB-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP Cc1ccc(CCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000111886921 441543031 /nfs/dbraw/zinc/54/30/31/441543031.db2.gz OZTJCQROOROTTB-UHFFFAOYSA-N 2 2 347.507 1.600 20 0 EDADLP C[C@@H](O)CC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000075778232 441555040 /nfs/dbraw/zinc/55/50/40/441555040.db2.gz MXWQYFJLMJHTOL-CQSZACIVSA-N 2 2 325.478 1.095 20 0 EDADLP C[C@@H](O)CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000075778232 441555045 /nfs/dbraw/zinc/55/50/45/441555045.db2.gz MXWQYFJLMJHTOL-CQSZACIVSA-N 2 2 325.478 1.095 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000089629902 441564862 /nfs/dbraw/zinc/56/48/62/441564862.db2.gz JAXMAUCLFFXLGJ-PMPSAXMXSA-N 2 2 346.537 1.679 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000089629902 441564865 /nfs/dbraw/zinc/56/48/65/441564865.db2.gz JAXMAUCLFFXLGJ-PMPSAXMXSA-N 2 2 346.537 1.679 20 0 EDADLP C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000112976594 441572527 /nfs/dbraw/zinc/57/25/27/441572527.db2.gz IDWLKJDEAYDZSL-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000112976594 441572530 /nfs/dbraw/zinc/57/25/30/441572530.db2.gz IDWLKJDEAYDZSL-CVEARBPZSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[NH+]1CCOCC1 ZINC000076055324 441588120 /nfs/dbraw/zinc/58/81/20/441588120.db2.gz WTWIGVAQAIHZBN-CVEARBPZSA-N 2 2 349.479 1.656 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926641 441596964 /nfs/dbraw/zinc/59/69/64/441596964.db2.gz VZRVCOAMTKTIPX-INIZCTEOSA-N 2 2 341.459 1.555 20 0 EDADLP CO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076344728 441633780 /nfs/dbraw/zinc/63/37/80/441633780.db2.gz JCBKSGLIPVPTQJ-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP CO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076344728 441633784 /nfs/dbraw/zinc/63/37/84/441633784.db2.gz JCBKSGLIPVPTQJ-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000114169038 441638971 /nfs/dbraw/zinc/63/89/71/441638971.db2.gz LQOBIKHIOGGKOU-UHFFFAOYSA-N 2 2 349.479 1.067 20 0 EDADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000114169038 441638973 /nfs/dbraw/zinc/63/89/73/441638973.db2.gz LQOBIKHIOGGKOU-UHFFFAOYSA-N 2 2 349.479 1.067 20 0 EDADLP Cn1cc([C@@H](CO)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000090885603 441645483 /nfs/dbraw/zinc/64/54/83/441645483.db2.gz NNCJLYJKPJMZSO-LJQANCHMSA-N 2 2 328.460 1.750 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]2CCOCC2)cc1 ZINC000067592412 441654896 /nfs/dbraw/zinc/65/48/96/441654896.db2.gz MARPMULVXWSJCF-SFHVURJKSA-N 2 2 333.476 1.825 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C[N@H+](C)C(C)C)[NH+]2CCOCC2)cc1 ZINC000067592412 441654898 /nfs/dbraw/zinc/65/48/98/441654898.db2.gz MARPMULVXWSJCF-SFHVURJKSA-N 2 2 333.476 1.825 20 0 EDADLP CC(C)C[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000068250381 441762612 /nfs/dbraw/zinc/76/26/12/441762612.db2.gz KEACXHINZVIKBC-IBGZPJMESA-N 2 2 347.503 1.982 20 0 EDADLP CC(C)C[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000068250381 441762616 /nfs/dbraw/zinc/76/26/16/441762616.db2.gz KEACXHINZVIKBC-IBGZPJMESA-N 2 2 347.503 1.982 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000077121009 441720839 /nfs/dbraw/zinc/72/08/39/441720839.db2.gz FPDIJMQBVMYWKI-UHFFFAOYSA-N 2 2 346.406 1.554 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173352256 441721003 /nfs/dbraw/zinc/72/10/03/441721003.db2.gz HTUDCXTYPXLOGO-HIFRSBDPSA-N 2 2 325.478 1.682 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173352256 441721009 /nfs/dbraw/zinc/72/10/09/441721009.db2.gz HTUDCXTYPXLOGO-HIFRSBDPSA-N 2 2 325.478 1.682 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000139448453 441817623 /nfs/dbraw/zinc/81/76/23/441817623.db2.gz LSPNDXUMNMPGGP-JKSUJKDBSA-N 2 2 327.432 1.903 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000139448453 441817630 /nfs/dbraw/zinc/81/76/30/441817630.db2.gz LSPNDXUMNMPGGP-JKSUJKDBSA-N 2 2 327.432 1.903 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(=O)OC ZINC000173529217 441780758 /nfs/dbraw/zinc/78/07/58/441780758.db2.gz HPQQHOADSIKWLT-NHIYQJMISA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C(=O)OC ZINC000173529217 441780764 /nfs/dbraw/zinc/78/07/64/441780764.db2.gz HPQQHOADSIKWLT-NHIYQJMISA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC ZINC000173529217 441780769 /nfs/dbraw/zinc/78/07/69/441780769.db2.gz HPQQHOADSIKWLT-NHIYQJMISA-N 2 2 327.469 1.105 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC ZINC000173529217 441780772 /nfs/dbraw/zinc/78/07/72/441780772.db2.gz HPQQHOADSIKWLT-NHIYQJMISA-N 2 2 327.469 1.105 20 0 EDADLP Cc1noc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)n1 ZINC000159343879 441805065 /nfs/dbraw/zinc/80/50/65/441805065.db2.gz NCLKRHIBBFBNMB-UHFFFAOYSA-N 2 2 349.479 1.582 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000077714319 441837239 /nfs/dbraw/zinc/83/72/39/441837239.db2.gz BSAMCPSUQIWOBX-UHFFFAOYSA-N 2 2 333.480 1.937 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000069501644 441953906 /nfs/dbraw/zinc/95/39/06/441953906.db2.gz FAHDAQNBHHDNHF-INIZCTEOSA-N 2 2 330.432 1.412 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000069501644 441953913 /nfs/dbraw/zinc/95/39/13/441953913.db2.gz FAHDAQNBHHDNHF-INIZCTEOSA-N 2 2 330.432 1.412 20 0 EDADLP CCc1ccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174713212 441956492 /nfs/dbraw/zinc/95/64/92/441956492.db2.gz FPIOHSBLWWTYHC-UHFFFAOYSA-N 2 2 332.492 1.757 20 0 EDADLP CCc1ccc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174713212 441956495 /nfs/dbraw/zinc/95/64/95/441956495.db2.gz FPIOHSBLWWTYHC-UHFFFAOYSA-N 2 2 332.492 1.757 20 0 EDADLP CC(C)OCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000151200068 442024189 /nfs/dbraw/zinc/02/41/89/442024189.db2.gz DRFLUDCKBIGZAN-UHFFFAOYSA-N 2 2 349.479 1.250 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079268463 442034837 /nfs/dbraw/zinc/03/48/37/442034837.db2.gz ANZHXHDRQUWRQZ-OAHLLOKOSA-N 2 2 333.480 1.936 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000079268463 442034842 /nfs/dbraw/zinc/03/48/42/442034842.db2.gz ANZHXHDRQUWRQZ-OAHLLOKOSA-N 2 2 333.480 1.936 20 0 EDADLP Cc1cc(N2CCC(NC(=O)NCCn3cc[nH+]c3)CC2)nc(C)[nH+]1 ZINC000175584552 442089785 /nfs/dbraw/zinc/08/97/85/442089785.db2.gz WWZROMNYMXPETF-UHFFFAOYSA-N 2 2 343.435 1.258 20 0 EDADLP CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000162115944 442065382 /nfs/dbraw/zinc/06/53/82/442065382.db2.gz OHRLNCZZDWZOLA-JKSUJKDBSA-N 2 2 334.464 1.115 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000162221854 442075593 /nfs/dbraw/zinc/07/55/93/442075593.db2.gz LTCMHICMBIPPRH-SFHVURJKSA-N 2 2 349.450 1.833 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000162221854 442075598 /nfs/dbraw/zinc/07/55/98/442075598.db2.gz LTCMHICMBIPPRH-SFHVURJKSA-N 2 2 349.450 1.833 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCc3occc32)CC1 ZINC000175625239 442095872 /nfs/dbraw/zinc/09/58/72/442095872.db2.gz ZWRFFHSWPYYGDL-MRXNPFEDSA-N 2 2 334.464 1.982 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000162622166 442109343 /nfs/dbraw/zinc/10/93/43/442109343.db2.gz ZOFXDFMSZHNIOS-INIZCTEOSA-N 2 2 335.423 1.443 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000162622166 442109349 /nfs/dbraw/zinc/10/93/49/442109349.db2.gz ZOFXDFMSZHNIOS-INIZCTEOSA-N 2 2 335.423 1.443 20 0 EDADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162754107 442120061 /nfs/dbraw/zinc/12/00/61/442120061.db2.gz RPUVLWQVQZOZDN-ZWKOTPCHSA-N 2 2 349.450 1.406 20 0 EDADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162754107 442120066 /nfs/dbraw/zinc/12/00/66/442120066.db2.gz RPUVLWQVQZOZDN-ZWKOTPCHSA-N 2 2 349.450 1.406 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000175790292 442122973 /nfs/dbraw/zinc/12/29/73/442122973.db2.gz PNKFAIYHOVJAGI-ZBFHGGJFSA-N 2 2 335.452 1.086 20 0 EDADLP C[C@H]1OCCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000120625023 442106802 /nfs/dbraw/zinc/10/68/02/442106802.db2.gz GRINBHWXMFZYGL-LSDHHAIUSA-N 2 2 338.496 1.364 20 0 EDADLP Cc1oc(-c2cccs2)nc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162607316 442108690 /nfs/dbraw/zinc/10/86/90/442108690.db2.gz GCQLQKBFBPNKLX-GFCCVEGCSA-N 2 2 334.445 1.355 20 0 EDADLP Cc1oc(-c2cccs2)nc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162607316 442108697 /nfs/dbraw/zinc/10/86/97/442108697.db2.gz GCQLQKBFBPNKLX-GFCCVEGCSA-N 2 2 334.445 1.355 20 0 EDADLP CC[C@@](C)([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(N)=O ZINC000127196932 442180592 /nfs/dbraw/zinc/18/05/92/442180592.db2.gz ZEFGYPNBYVHMPK-HNAYVOBHSA-N 2 2 346.475 1.135 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000121161476 442185850 /nfs/dbraw/zinc/18/58/50/442185850.db2.gz MDJZJYHTTTXPGX-GOEBONIOSA-N 2 2 325.478 1.178 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000121161476 442185852 /nfs/dbraw/zinc/18/58/52/442185852.db2.gz MDJZJYHTTTXPGX-GOEBONIOSA-N 2 2 325.478 1.178 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)CC1 ZINC000121332927 442204931 /nfs/dbraw/zinc/20/49/31/442204931.db2.gz YJUDMABQWVENJK-UHFFFAOYSA-N 2 2 346.475 1.115 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000163337037 442159389 /nfs/dbraw/zinc/15/93/89/442159389.db2.gz SFXNJZNUEZXSMV-IAGOWNOFSA-N 2 2 330.476 1.408 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000163337037 442159391 /nfs/dbraw/zinc/15/93/91/442159391.db2.gz SFXNJZNUEZXSMV-IAGOWNOFSA-N 2 2 330.476 1.408 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152413796 442210394 /nfs/dbraw/zinc/21/03/94/442210394.db2.gz STWAGHNTAICKNB-MRXNPFEDSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1ccccc1CNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152413796 442210397 /nfs/dbraw/zinc/21/03/97/442210397.db2.gz STWAGHNTAICKNB-MRXNPFEDSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152413796 442210399 /nfs/dbraw/zinc/21/03/99/442210399.db2.gz STWAGHNTAICKNB-MRXNPFEDSA-N 2 2 333.476 1.723 20 0 EDADLP COCc1ccccc1CNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152413796 442210401 /nfs/dbraw/zinc/21/04/01/442210401.db2.gz STWAGHNTAICKNB-MRXNPFEDSA-N 2 2 333.476 1.723 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000166060564 442213755 /nfs/dbraw/zinc/21/37/55/442213755.db2.gz GPMFOMZJNXVZEW-IBGZPJMESA-N 3 2 334.508 1.992 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000170739900 442255698 /nfs/dbraw/zinc/25/56/98/442255698.db2.gz XAAQGVRHKIVJSN-QGZVFWFLSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000128720489 442284261 /nfs/dbraw/zinc/28/42/61/442284261.db2.gz AODBZPAXQYOUKP-HNNXBMFYSA-N 2 2 342.447 1.205 20 0 EDADLP COC(=O)c1cccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177119546 442300044 /nfs/dbraw/zinc/30/00/44/442300044.db2.gz OTPOUVSZRQTQFF-UHFFFAOYSA-N 2 2 333.432 1.229 20 0 EDADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C[C@@H](C)[NH2+]1 ZINC000154162876 442324576 /nfs/dbraw/zinc/32/45/76/442324576.db2.gz HMLPHTHKTJXHMO-RKVPGOIHSA-N 3 2 341.459 1.010 20 0 EDADLP CCS(=O)(=O)CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177490562 442349158 /nfs/dbraw/zinc/34/91/58/442349158.db2.gz CNBXUDSVCCWUSO-HZPDHXFCSA-N 2 2 346.537 1.632 20 0 EDADLP COc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1OC ZINC000177773082 442382950 /nfs/dbraw/zinc/38/29/50/442382950.db2.gz SBKLHXWYYMLEPC-UHFFFAOYSA-N 2 2 333.476 1.917 20 0 EDADLP COC(=O)C1CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000132059071 442386109 /nfs/dbraw/zinc/38/61/09/442386109.db2.gz WYBPYQMEEXSAEY-MRXNPFEDSA-N 2 2 345.443 1.899 20 0 EDADLP CSC[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000132137486 442387550 /nfs/dbraw/zinc/38/75/50/442387550.db2.gz YTNLCHSNYOVQAH-ZDUSSCGKSA-N 2 2 328.526 1.596 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCSCC1 ZINC000132477929 442394287 /nfs/dbraw/zinc/39/42/87/442394287.db2.gz ZRHNWJVXVOURPV-HOCLYGCPSA-N 2 2 325.522 1.804 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1CCSCC1 ZINC000132477929 442394290 /nfs/dbraw/zinc/39/42/90/442394290.db2.gz ZRHNWJVXVOURPV-HOCLYGCPSA-N 2 2 325.522 1.804 20 0 EDADLP COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000171997765 442397276 /nfs/dbraw/zinc/39/72/76/442397276.db2.gz SMVSTUVAHKEBGN-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000171997765 442397277 /nfs/dbraw/zinc/39/72/77/442397277.db2.gz SMVSTUVAHKEBGN-IRXDYDNUSA-N 2 2 346.475 1.477 20 0 EDADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178118689 442408889 /nfs/dbraw/zinc/40/88/89/442408889.db2.gz PRCBNVZONJGOOH-MRXNPFEDSA-N 2 2 340.427 1.667 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000133530293 442422660 /nfs/dbraw/zinc/42/26/60/442422660.db2.gz UPZUWDMIDAKUQH-CQSZACIVSA-N 2 2 338.477 1.031 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000172262574 442432291 /nfs/dbraw/zinc/43/22/91/442432291.db2.gz DPUIHKVGOPTXIF-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000172262574 442432293 /nfs/dbraw/zinc/43/22/93/442432293.db2.gz DPUIHKVGOPTXIF-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000172262574 442432296 /nfs/dbraw/zinc/43/22/96/442432296.db2.gz DPUIHKVGOPTXIF-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000172262574 442432299 /nfs/dbraw/zinc/43/22/99/442432299.db2.gz DPUIHKVGOPTXIF-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172581816 442496088 /nfs/dbraw/zinc/49/60/88/442496088.db2.gz ZGFLPHICVKDVDX-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000172581816 442496091 /nfs/dbraw/zinc/49/60/91/442496091.db2.gz ZGFLPHICVKDVDX-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000172581816 442496095 /nfs/dbraw/zinc/49/60/95/442496095.db2.gz ZGFLPHICVKDVDX-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000172581816 442496099 /nfs/dbraw/zinc/49/60/99/442496099.db2.gz ZGFLPHICVKDVDX-OAHLLOKOSA-N 2 2 326.485 1.079 20 0 EDADLP CC(C)[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000180181198 442554551 /nfs/dbraw/zinc/55/45/51/442554551.db2.gz CYGSJBJBEZHKIR-UYAOXDASSA-N 2 2 345.487 1.906 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000172722081 442526445 /nfs/dbraw/zinc/52/64/45/442526445.db2.gz UQNXIUBTVZGXPE-MRXNPFEDSA-N 2 2 335.473 1.505 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000172722081 442526446 /nfs/dbraw/zinc/52/64/46/442526446.db2.gz UQNXIUBTVZGXPE-MRXNPFEDSA-N 2 2 335.473 1.505 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000192109734 442595233 /nfs/dbraw/zinc/59/52/33/442595233.db2.gz VOLKHWJHEAXOCB-GVDBMIGSSA-N 2 2 333.476 1.719 20 0 EDADLP CCCn1c(C)nnc1CN1CC[NH+](C2CC[NH+](CCC)CC2)CC1 ZINC000157999501 442636154 /nfs/dbraw/zinc/63/61/54/442636154.db2.gz PXCKEGGLVQPQEB-UHFFFAOYSA-N 2 2 348.539 1.989 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH+]1CCOCC1 ZINC000135939667 442642287 /nfs/dbraw/zinc/64/22/87/442642287.db2.gz SESFMCGYKKHLLT-WMZOPIPTSA-N 2 2 348.491 1.699 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)ccc1F ZINC000136027266 442646931 /nfs/dbraw/zinc/64/69/31/442646931.db2.gz UMPRMPCOQQHXRJ-CQSZACIVSA-N 2 2 330.407 1.963 20 0 EDADLP O=C1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1CC[NH+]1CCOCC1 ZINC000181035804 442676997 /nfs/dbraw/zinc/67/69/97/442676997.db2.gz XDQNLPBEMODKCU-RJFAQORQSA-N 2 2 347.503 1.334 20 0 EDADLP COC[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000187755347 442690943 /nfs/dbraw/zinc/69/09/43/442690943.db2.gz LMYYTNPIWAWERG-VQTJNVASSA-N 2 2 348.487 1.437 20 0 EDADLP COC[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000187755347 442690944 /nfs/dbraw/zinc/69/09/44/442690944.db2.gz LMYYTNPIWAWERG-VQTJNVASSA-N 2 2 348.487 1.437 20 0 EDADLP C[NH2+]CC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000193128887 442715745 /nfs/dbraw/zinc/71/57/45/442715745.db2.gz VGABDXDAWXIGLX-UHFFFAOYSA-N 2 2 335.839 1.241 20 0 EDADLP C[NH2+]CC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000193128887 442715748 /nfs/dbraw/zinc/71/57/48/442715748.db2.gz VGABDXDAWXIGLX-UHFFFAOYSA-N 2 2 335.839 1.241 20 0 EDADLP CCCC[N@H+](CCCO)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182155511 442740529 /nfs/dbraw/zinc/74/05/29/442740529.db2.gz GEMZRPNYAAEVCC-QGZVFWFLSA-N 2 2 348.491 1.603 20 0 EDADLP CCCC[N@@H+](CCCO)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182155511 442740531 /nfs/dbraw/zinc/74/05/31/442740531.db2.gz GEMZRPNYAAEVCC-QGZVFWFLSA-N 2 2 348.491 1.603 20 0 EDADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000182292604 442754556 /nfs/dbraw/zinc/75/45/56/442754556.db2.gz ICPGHDHJDRRKHP-IRXDYDNUSA-N 2 2 346.475 1.668 20 0 EDADLP CO[C@H](C)c1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000182587488 442790894 /nfs/dbraw/zinc/79/08/94/442790894.db2.gz QDPGGOYBYCDPNQ-JZWPEALZSA-N 2 2 349.479 1.520 20 0 EDADLP CO[C@H](C)c1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000182587488 442790897 /nfs/dbraw/zinc/79/08/97/442790897.db2.gz QDPGGOYBYCDPNQ-JZWPEALZSA-N 2 2 349.479 1.520 20 0 EDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCCNc1cccc[nH+]1 ZINC000182366362 442760848 /nfs/dbraw/zinc/76/08/48/442760848.db2.gz GJAIIFNCVZXZLS-UHFFFAOYSA-N 2 2 348.495 1.163 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247192817 442840561 /nfs/dbraw/zinc/84/05/61/442840561.db2.gz VMXGMFOPFWZIHQ-LSDHHAIUSA-N 2 2 338.496 1.950 20 0 EDADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247192817 442840565 /nfs/dbraw/zinc/84/05/65/442840565.db2.gz VMXGMFOPFWZIHQ-LSDHHAIUSA-N 2 2 338.496 1.950 20 0 EDADLP CCO[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000625501117 450396472 /nfs/dbraw/zinc/39/64/72/450396472.db2.gz CQDYOSRWJFENKZ-SJORKVTESA-N 2 2 325.497 1.674 20 0 EDADLP CCO[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000625501117 450396477 /nfs/dbraw/zinc/39/64/77/450396477.db2.gz CQDYOSRWJFENKZ-SJORKVTESA-N 2 2 325.497 1.674 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000248064525 442879331 /nfs/dbraw/zinc/87/93/31/442879331.db2.gz MBYGPBLFXDWYIV-DLBZAZTESA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000248064525 442879335 /nfs/dbraw/zinc/87/93/35/442879335.db2.gz MBYGPBLFXDWYIV-DLBZAZTESA-N 2 2 335.423 1.098 20 0 EDADLP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC000182326377 318504065 /nfs/dbraw/zinc/50/40/65/318504065.db2.gz JGMCHKXFSZEOIT-IKGGRYGDSA-N 2 2 345.553 1.204 20 0 EDADLP COC[C@@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H](C)O1 ZINC000189464266 442960566 /nfs/dbraw/zinc/96/05/66/442960566.db2.gz MWVGQWNWFOHIDE-ULQDDVLXSA-N 2 2 347.459 1.750 20 0 EDADLP COC[C@@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H](C)O1 ZINC000189464266 442960572 /nfs/dbraw/zinc/96/05/72/442960572.db2.gz MWVGQWNWFOHIDE-ULQDDVLXSA-N 2 2 347.459 1.750 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000266180754 443048461 /nfs/dbraw/zinc/04/84/61/443048461.db2.gz VCEKTDROLCJAMI-INIZCTEOSA-N 2 2 330.388 1.231 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000266180754 443048463 /nfs/dbraw/zinc/04/84/63/443048463.db2.gz VCEKTDROLCJAMI-INIZCTEOSA-N 2 2 330.388 1.231 20 0 EDADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000266057911 443001992 /nfs/dbraw/zinc/00/19/92/443001992.db2.gz ACIPWPVTCGNBBY-CYBMUJFWSA-N 2 2 330.432 1.434 20 0 EDADLP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)CCCO2 ZINC000268897801 443141014 /nfs/dbraw/zinc/14/10/14/443141014.db2.gz KLUXHHOZJRPYIN-DLBZAZTESA-N 2 2 347.459 1.838 20 0 EDADLP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)CCCO2 ZINC000268897801 443141015 /nfs/dbraw/zinc/14/10/15/443141015.db2.gz KLUXHHOZJRPYIN-DLBZAZTESA-N 2 2 347.459 1.838 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cnccn1 ZINC000268790475 443108925 /nfs/dbraw/zinc/10/89/25/443108925.db2.gz GFKSFKBPHNRSCR-INIZCTEOSA-N 3 2 326.448 1.735 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)c1cc(C)no1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261725248 443166548 /nfs/dbraw/zinc/16/65/48/443166548.db2.gz IVTASVJPUIYUOV-OAHLLOKOSA-N 2 2 343.431 1.984 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)[nH+]1 ZINC000269034244 443178530 /nfs/dbraw/zinc/17/85/30/443178530.db2.gz VDHCWTZNTGDQOE-GOEBONIOSA-N 2 2 330.432 1.580 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)[nH+]1 ZINC000269034244 443178532 /nfs/dbraw/zinc/17/85/32/443178532.db2.gz VDHCWTZNTGDQOE-GOEBONIOSA-N 2 2 330.432 1.580 20 0 EDADLP c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)[nH+]c1 ZINC000262052731 443181042 /nfs/dbraw/zinc/18/10/42/443181042.db2.gz ZVPZYOBPODESIY-KSZLIROESA-N 3 2 330.476 1.797 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000299355604 318896905 /nfs/dbraw/zinc/89/69/05/318896905.db2.gz IUYRNHZDWUVXKD-AEFFLSMTSA-N 2 2 348.491 1.699 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000245415049 443224716 /nfs/dbraw/zinc/22/47/16/443224716.db2.gz CWXXWRJYHKQOEW-OKZBNKHCSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000245415049 443224719 /nfs/dbraw/zinc/22/47/19/443224719.db2.gz CWXXWRJYHKQOEW-OKZBNKHCSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000245415049 443224722 /nfs/dbraw/zinc/22/47/22/443224722.db2.gz CWXXWRJYHKQOEW-OKZBNKHCSA-N 2 2 337.508 1.820 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000245415049 443224725 /nfs/dbraw/zinc/22/47/25/443224725.db2.gz CWXXWRJYHKQOEW-OKZBNKHCSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)OCCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269196856 443229128 /nfs/dbraw/zinc/22/91/28/443229128.db2.gz SKQNBWUVVDOTIN-SFHVURJKSA-N 2 2 344.459 1.733 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000266786008 443241568 /nfs/dbraw/zinc/24/15/68/443241568.db2.gz BUVHRFNFIBDXIQ-HNNXBMFYSA-N 2 2 328.416 1.534 20 0 EDADLP Cc1cc(N)nc(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[nH+]1 ZINC000185431481 443199440 /nfs/dbraw/zinc/19/94/40/443199440.db2.gz WDCSQXUPFHKNIN-AWEZNQCLSA-N 2 2 345.472 1.878 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000332973839 318975580 /nfs/dbraw/zinc/97/55/80/318975580.db2.gz DTNDZNLZJARHII-HOTGVXAUSA-N 2 2 331.464 1.571 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)n1C ZINC000397313341 319134221 /nfs/dbraw/zinc/13/42/21/319134221.db2.gz PSPKYTFHAJIFDC-UHFFFAOYSA-N 2 2 343.431 1.597 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000269255266 443253168 /nfs/dbraw/zinc/25/31/68/443253168.db2.gz JDRDJZHNJUAMQN-NSHDSACASA-N 2 2 334.342 1.172 20 0 EDADLP CCCCOCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269263555 443256854 /nfs/dbraw/zinc/25/68/54/443256854.db2.gz SNHQHIJKLUQQOW-SFHVURJKSA-N 2 2 344.459 1.734 20 0 EDADLP c1cnc(N2CC[NH+](CCNc3cc(NC4CC4)[nH+]cn3)CC2)nc1 ZINC000413079351 319263614 /nfs/dbraw/zinc/26/36/14/319263614.db2.gz ODENBOOICWJASC-UHFFFAOYSA-N 2 2 340.435 1.075 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000264246736 443255946 /nfs/dbraw/zinc/25/59/46/443255946.db2.gz PTDDWVPCGMVGRI-QAPCUYQASA-N 2 2 342.443 1.586 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000414692277 319343574 /nfs/dbraw/zinc/34/35/74/319343574.db2.gz KQURPPZVIGGPAU-ADKAHSJRSA-N 2 2 338.540 1.672 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c(C)[nH+]1 ZINC000415706888 319365019 /nfs/dbraw/zinc/36/50/19/319365019.db2.gz JNMKSTKILITQNY-KRWDZBQOSA-N 2 2 338.411 1.640 20 0 EDADLP CC(C)(C(N)=O)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000266857068 443269214 /nfs/dbraw/zinc/26/92/14/443269214.db2.gz HXEDWNRQCOVTIC-UHFFFAOYSA-N 2 2 327.432 1.254 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000266979268 443307865 /nfs/dbraw/zinc/30/78/65/443307865.db2.gz FEAHSIVLOMEZHU-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000266979268 443307867 /nfs/dbraw/zinc/30/78/67/443307867.db2.gz FEAHSIVLOMEZHU-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000266979268 443307869 /nfs/dbraw/zinc/30/78/69/443307869.db2.gz FEAHSIVLOMEZHU-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP COCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000266979268 443307872 /nfs/dbraw/zinc/30/78/72/443307872.db2.gz FEAHSIVLOMEZHU-ZWKOTPCHSA-N 2 2 349.450 1.627 20 0 EDADLP COc1ccc([C@@H](NC(=O)N(C)C2CC([NH3+])C2)c2[nH+]ccn2C)cc1 ZINC000416904703 319470963 /nfs/dbraw/zinc/47/09/63/319470963.db2.gz IFCLNKBJKZVMCZ-ZBCRRDGASA-N 2 2 343.431 1.649 20 0 EDADLP CCc1cc(N2CCC([N@H+](C)CCO)CC2)nc(-c2ccncc2)[nH+]1 ZINC000264569595 443330647 /nfs/dbraw/zinc/33/06/47/443330647.db2.gz UFNYBJZHGMPFQO-UHFFFAOYSA-N 2 2 341.459 1.994 20 0 EDADLP CCc1cc(N2CCC([N@@H+](C)CCO)CC2)nc(-c2ccncc2)[nH+]1 ZINC000264569595 443330650 /nfs/dbraw/zinc/33/06/50/443330650.db2.gz UFNYBJZHGMPFQO-UHFFFAOYSA-N 2 2 341.459 1.994 20 0 EDADLP C[NH+](C)[C@]1(C[NH2+]CCN2C(=O)c3ccccc3C2=O)CCSC1 ZINC000278461645 443338959 /nfs/dbraw/zinc/33/89/59/443338959.db2.gz FDCBXMRPKHOTJG-KRWDZBQOSA-N 2 2 333.457 1.310 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(F)c(F)c2)CC1 ZINC000267244914 443391127 /nfs/dbraw/zinc/39/11/27/443391127.db2.gz AZBITZUHZXBUJN-UHFFFAOYSA-N 2 2 340.418 1.790 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000272519895 443348495 /nfs/dbraw/zinc/34/84/95/443348495.db2.gz ZGAGETOOLNNYGC-INIZCTEOSA-N 2 2 325.416 1.968 20 0 EDADLP C[C@H]1C[N@H+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCCO1 ZINC000278534732 443355926 /nfs/dbraw/zinc/35/59/26/443355926.db2.gz NRNIRRUOVGNAHU-HNNXBMFYSA-N 2 2 343.431 1.498 20 0 EDADLP C[C@H]1C[N@@H+](CCCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCCO1 ZINC000278534732 443355931 /nfs/dbraw/zinc/35/59/31/443355931.db2.gz NRNIRRUOVGNAHU-HNNXBMFYSA-N 2 2 343.431 1.498 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000269728348 443413622 /nfs/dbraw/zinc/41/36/22/443413622.db2.gz WVUUMIQLQDSPFP-UHFFFAOYSA-N 2 2 339.443 1.127 20 0 EDADLP CNC(=O)[C@H]1CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000264729498 443394346 /nfs/dbraw/zinc/39/43/46/443394346.db2.gz PCAGAMVFKIEERJ-HOTGVXAUSA-N 2 2 344.459 1.472 20 0 EDADLP CNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000264729498 443394349 /nfs/dbraw/zinc/39/43/49/443394349.db2.gz PCAGAMVFKIEERJ-HOTGVXAUSA-N 2 2 344.459 1.472 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)NCc3[nH+]ccn3C)CC2)cn1 ZINC000264922068 443477534 /nfs/dbraw/zinc/47/75/34/443477534.db2.gz SKAHTNLOMWFIBL-UHFFFAOYSA-N 2 2 345.451 1.054 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)NCc3[nH+]ccn3C)CC2)cn1 ZINC000264922068 443477537 /nfs/dbraw/zinc/47/75/37/443477537.db2.gz SKAHTNLOMWFIBL-UHFFFAOYSA-N 2 2 345.451 1.054 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc(C)[nH+]1 ZINC000422325318 319691856 /nfs/dbraw/zinc/69/18/56/319691856.db2.gz YQZWLPIESVSZJZ-HOTGVXAUSA-N 2 2 332.448 1.304 20 0 EDADLP C[NH+](C)CCOc1ccccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000267431499 443454774 /nfs/dbraw/zinc/45/47/74/443454774.db2.gz YSEQKJBAOAXMRT-UHFFFAOYSA-N 2 2 329.448 1.672 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000267450525 443460947 /nfs/dbraw/zinc/46/09/47/443460947.db2.gz RJNLOTBIDUHJKC-GFCCVEGCSA-N 2 2 333.461 1.877 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cs1 ZINC000267450525 443460951 /nfs/dbraw/zinc/46/09/51/443460951.db2.gz RJNLOTBIDUHJKC-GFCCVEGCSA-N 2 2 333.461 1.877 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CCN3CCOCC3)c2cc1C ZINC000264877611 443463794 /nfs/dbraw/zinc/46/37/94/443463794.db2.gz TUAKRDAASXKCBM-QGZVFWFLSA-N 2 2 346.475 1.278 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CCN3CCOCC3)c2cc1C ZINC000264877611 443463795 /nfs/dbraw/zinc/46/37/95/443463795.db2.gz TUAKRDAASXKCBM-QGZVFWFLSA-N 2 2 346.475 1.278 20 0 EDADLP COc1ccc([C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422973078 319743170 /nfs/dbraw/zinc/74/31/70/319743170.db2.gz BDZCXXYHUNDVKM-UXHICEINSA-N 3 2 347.503 1.782 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)COC3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000423343330 319765884 /nfs/dbraw/zinc/76/58/84/319765884.db2.gz VWZPMKJMZUMOBM-UHFFFAOYSA-N 2 2 346.475 1.703 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCSC1 ZINC000267676234 443537098 /nfs/dbraw/zinc/53/70/98/443537098.db2.gz PPINKHWFNXCCBG-GDBMZVCRSA-N 2 2 337.493 1.494 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000423761579 319812124 /nfs/dbraw/zinc/81/21/24/319812124.db2.gz RQOPJYRJAGLNLS-RDBSUJKOSA-N 2 2 325.478 1.529 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279033887 443495983 /nfs/dbraw/zinc/49/59/83/443495983.db2.gz PXWXAROOGAIBMM-AWEZNQCLSA-N 2 2 340.431 1.412 20 0 EDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CC[NH+](C2CCC2)CC1 ZINC000264980729 443498267 /nfs/dbraw/zinc/49/82/67/443498267.db2.gz FMMUXIWSTAMQQH-UHFFFAOYSA-N 2 2 348.516 1.986 20 0 EDADLP O=C(NCC[N@H+]1CCc2sccc2C1)N1CC[NH+](C2CCC2)CC1 ZINC000264980729 443498269 /nfs/dbraw/zinc/49/82/69/443498269.db2.gz FMMUXIWSTAMQQH-UHFFFAOYSA-N 2 2 348.516 1.986 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@@H+]1CCOC ZINC000272214774 443558249 /nfs/dbraw/zinc/55/82/49/443558249.db2.gz FXSMABOLJZRPQK-OAHLLOKOSA-N 2 2 343.431 1.450 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@H+]1CCOC ZINC000272214774 443558253 /nfs/dbraw/zinc/55/82/53/443558253.db2.gz FXSMABOLJZRPQK-OAHLLOKOSA-N 2 2 343.431 1.450 20 0 EDADLP O=C(N1CCC(Cc2[nH]cc[nH+]2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000425307885 319830082 /nfs/dbraw/zinc/83/00/82/319830082.db2.gz UGBQMFIRIIJZSY-UHFFFAOYSA-N 2 2 332.448 1.446 20 0 EDADLP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000273448892 443573624 /nfs/dbraw/zinc/57/36/24/443573624.db2.gz CHGKSWRFEHMPTQ-IBGZPJMESA-N 2 2 343.471 1.911 20 0 EDADLP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC(C)(C)O ZINC000265127154 443541612 /nfs/dbraw/zinc/54/16/12/443541612.db2.gz HNZONUGUSNJACE-UHFFFAOYSA-N 2 2 333.476 1.424 20 0 EDADLP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)CC(C)(C)O ZINC000265127154 443541613 /nfs/dbraw/zinc/54/16/13/443541613.db2.gz HNZONUGUSNJACE-UHFFFAOYSA-N 2 2 333.476 1.424 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000272354691 443601185 /nfs/dbraw/zinc/60/11/85/443601185.db2.gz RFIFVZFNGKAOMH-HNNXBMFYSA-N 2 2 341.415 1.062 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000439953591 320055573 /nfs/dbraw/zinc/05/55/73/320055573.db2.gz OAZIIJADFCGOBI-ZIAGYGMSSA-N 2 2 335.448 1.980 20 0 EDADLP CCCCNC(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441050500 320086746 /nfs/dbraw/zinc/08/67/46/320086746.db2.gz XXYWLPIWNWINHM-KRWDZBQOSA-N 2 2 338.540 1.782 20 0 EDADLP CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N1CC[NH+](CC)CC1)C2 ZINC000441067231 320087810 /nfs/dbraw/zinc/08/78/10/320087810.db2.gz QDTDDPAJTCESIO-MRXNPFEDSA-N 2 2 345.487 1.996 20 0 EDADLP CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N1CC[NH+](CC)CC1)C2 ZINC000441067231 320087813 /nfs/dbraw/zinc/08/78/13/320087813.db2.gz QDTDDPAJTCESIO-MRXNPFEDSA-N 2 2 345.487 1.996 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000444355880 320127075 /nfs/dbraw/zinc/12/70/75/320127075.db2.gz BILRDXAIFFMIQG-CQSZACIVSA-N 2 2 330.432 1.180 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000444355880 320127076 /nfs/dbraw/zinc/12/70/76/320127076.db2.gz BILRDXAIFFMIQG-CQSZACIVSA-N 2 2 330.432 1.180 20 0 EDADLP CCCc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)no1 ZINC000448835573 320161219 /nfs/dbraw/zinc/16/12/19/320161219.db2.gz MWWSWLRXOFXTJS-UHFFFAOYSA-N 2 2 334.464 1.916 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1CCC[N@@H+]1CCCO ZINC000449385004 320186209 /nfs/dbraw/zinc/18/62/09/320186209.db2.gz DDCIPMBEEDRGOD-SFHVURJKSA-N 2 2 329.448 1.512 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1CCC[N@H+]1CCCO ZINC000449385004 320186212 /nfs/dbraw/zinc/18/62/12/320186212.db2.gz DDCIPMBEEDRGOD-SFHVURJKSA-N 2 2 329.448 1.512 20 0 EDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449392909 320187878 /nfs/dbraw/zinc/18/78/78/320187878.db2.gz AEJDNABXMVRVCG-GXTWGEPZSA-N 2 2 345.285 1.471 20 0 EDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449392909 320187880 /nfs/dbraw/zinc/18/78/80/320187880.db2.gz AEJDNABXMVRVCG-GXTWGEPZSA-N 2 2 345.285 1.471 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@H](O)C2)CC1 ZINC000452098553 320241468 /nfs/dbraw/zinc/24/14/68/320241468.db2.gz OWYQOXDELQFAGM-LPHOPBHVSA-N 2 2 345.487 1.342 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)C[C@H](O)C2)CC1 ZINC000452098553 320241471 /nfs/dbraw/zinc/24/14/71/320241471.db2.gz OWYQOXDELQFAGM-LPHOPBHVSA-N 2 2 345.487 1.342 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](CCCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000452116198 320242512 /nfs/dbraw/zinc/24/25/12/320242512.db2.gz BXZLZIBWAINXAO-LJQANCHMSA-N 2 2 345.487 1.425 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](CCCO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000452116198 320242514 /nfs/dbraw/zinc/24/25/14/320242514.db2.gz BXZLZIBWAINXAO-LJQANCHMSA-N 2 2 345.487 1.425 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1CCO ZINC000492663289 320382141 /nfs/dbraw/zinc/38/21/41/320382141.db2.gz OFMAJJJUAUYECV-HQQUCIOCSA-N 2 2 340.427 1.411 20 0 EDADLP C[C@@H]1CN(C(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1CCO ZINC000492663289 320382142 /nfs/dbraw/zinc/38/21/42/320382142.db2.gz OFMAJJJUAUYECV-HQQUCIOCSA-N 2 2 340.427 1.411 20 0 EDADLP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000492771097 320385604 /nfs/dbraw/zinc/38/56/04/320385604.db2.gz OUCVIOXVWXCABG-SOUVJXGZSA-N 2 2 338.452 1.791 20 0 EDADLP CC[N@@H+]1CCN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000286309425 443688108 /nfs/dbraw/zinc/68/81/08/443688108.db2.gz CVOYVFCOSRDJLP-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP CC[N@H+]1CCN(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000286309425 443688109 /nfs/dbraw/zinc/68/81/09/443688109.db2.gz CVOYVFCOSRDJLP-KRWDZBQOSA-N 2 2 345.491 1.146 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000290917783 443710669 /nfs/dbraw/zinc/71/06/69/443710669.db2.gz QFCZFSUJVMODBL-UHFFFAOYSA-N 2 2 331.247 1.642 20 0 EDADLP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000280706887 443742042 /nfs/dbraw/zinc/74/20/42/443742042.db2.gz IWQJMHDGFDTUHO-BZUAXINKSA-N 2 2 345.443 1.755 20 0 EDADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000280706887 443742046 /nfs/dbraw/zinc/74/20/46/443742046.db2.gz IWQJMHDGFDTUHO-BZUAXINKSA-N 2 2 345.443 1.755 20 0 EDADLP C[N@@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3Cc3ccccc3)[C@@H]2C1 ZINC000284634879 443781783 /nfs/dbraw/zinc/78/17/83/443781783.db2.gz NMGCELIKBQPKMQ-QZTJIDSGSA-N 2 2 326.444 1.836 20 0 EDADLP C[N@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3Cc3ccccc3)[C@@H]2C1 ZINC000284634879 443781787 /nfs/dbraw/zinc/78/17/87/443781787.db2.gz NMGCELIKBQPKMQ-QZTJIDSGSA-N 2 2 326.444 1.836 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000276752785 443813466 /nfs/dbraw/zinc/81/34/66/443813466.db2.gz WDVFUBWVHSJUSL-UHFFFAOYSA-N 2 2 342.443 1.576 20 0 EDADLP Cc1nn(C)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000285009881 443820067 /nfs/dbraw/zinc/82/00/67/443820067.db2.gz YZXYVSBRBXGWHE-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1nn(C)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000285009881 443820070 /nfs/dbraw/zinc/82/00/70/443820070.db2.gz YZXYVSBRBXGWHE-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1nn(C)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000285009881 443820073 /nfs/dbraw/zinc/82/00/73/443820073.db2.gz YZXYVSBRBXGWHE-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP Cc1nn(C)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000285009881 443820077 /nfs/dbraw/zinc/82/00/77/443820077.db2.gz YZXYVSBRBXGWHE-MAUKXSAKSA-N 2 2 330.480 1.977 20 0 EDADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292821936 443851759 /nfs/dbraw/zinc/85/17/59/443851759.db2.gz AYWKFKQOSBFFQG-SJLPKXTDSA-N 2 2 329.444 1.343 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000285111491 443860320 /nfs/dbraw/zinc/86/03/20/443860320.db2.gz HCFIUMFOIXLLLA-HKUYNNGSSA-N 2 2 333.476 1.859 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000285111491 443860322 /nfs/dbraw/zinc/86/03/22/443860322.db2.gz HCFIUMFOIXLLLA-HKUYNNGSSA-N 2 2 333.476 1.859 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@@H]3CCc4[nH+]ccn4C3)[nH+]cn2)C1 ZINC000288422612 443876369 /nfs/dbraw/zinc/87/63/69/443876369.db2.gz MNKNYXYFDLXBMZ-GJZGRUSLSA-N 2 2 342.447 1.556 20 0 EDADLP OC[C@H]1CCCN(c2cc(NC[C@@H]3CCc4[nH+]ccn4C3)nc[nH+]2)C1 ZINC000288422612 443876371 /nfs/dbraw/zinc/87/63/71/443876371.db2.gz MNKNYXYFDLXBMZ-GJZGRUSLSA-N 2 2 342.447 1.556 20 0 EDADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC(=O)NCc1cccs1 ZINC000281527677 443936512 /nfs/dbraw/zinc/93/65/12/443936512.db2.gz ZTRWBVBXAYGKSP-UHFFFAOYSA-N 2 2 338.477 1.492 20 0 EDADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC(=O)NCc1cccs1 ZINC000281527677 443936517 /nfs/dbraw/zinc/93/65/17/443936517.db2.gz ZTRWBVBXAYGKSP-UHFFFAOYSA-N 2 2 338.477 1.492 20 0 EDADLP COC1(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000277089304 443907782 /nfs/dbraw/zinc/90/77/82/443907782.db2.gz VDPMNUUYQKLSDX-GOSISDBHSA-N 2 2 334.460 1.191 20 0 EDADLP COC1(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000277089304 443907786 /nfs/dbraw/zinc/90/77/86/443907786.db2.gz VDPMNUUYQKLSDX-GOSISDBHSA-N 2 2 334.460 1.191 20 0 EDADLP C[C@@H]([C@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288532385 443909914 /nfs/dbraw/zinc/90/99/14/443909914.db2.gz YBUGFTUDHJGHPU-XEZPLFJOSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@@H]([C@H]1CCC[N@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000288532385 443909918 /nfs/dbraw/zinc/90/99/18/443909918.db2.gz YBUGFTUDHJGHPU-XEZPLFJOSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@@H]([C@H]1CCC[N@@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288532385 443909921 /nfs/dbraw/zinc/90/99/21/443909921.db2.gz YBUGFTUDHJGHPU-XEZPLFJOSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@@H]([C@H]1CCC[N@H+](C2CCC2)C1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000288532385 443909925 /nfs/dbraw/zinc/90/99/25/443909925.db2.gz YBUGFTUDHJGHPU-XEZPLFJOSA-N 2 2 345.447 1.526 20 0 EDADLP C[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)N1CC[NH+](C)CC1 ZINC000277312131 443961069 /nfs/dbraw/zinc/96/10/69/443961069.db2.gz CWGMHXSTPKRVMV-AWEZNQCLSA-N 2 2 336.509 1.078 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000299125671 443961692 /nfs/dbraw/zinc/96/16/92/443961692.db2.gz BOTJNXPFOXOANC-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000299125671 443961696 /nfs/dbraw/zinc/96/16/96/443961696.db2.gz BOTJNXPFOXOANC-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP Cn1cc(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000285360120 443955786 /nfs/dbraw/zinc/95/57/86/443955786.db2.gz FBRNEWUQRZRIPP-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP Cn1cc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000285360120 443955789 /nfs/dbraw/zinc/95/57/89/443955789.db2.gz FBRNEWUQRZRIPP-UHFFFAOYSA-N 2 2 327.476 1.670 20 0 EDADLP CC(C)C[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000548609894 320888482 /nfs/dbraw/zinc/88/84/82/320888482.db2.gz CLCGEWNZGRWMJI-HOTGVXAUSA-N 2 2 349.479 1.244 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn4cc[nH+]c4c3)CC[C@@H]21 ZINC000299301322 444011195 /nfs/dbraw/zinc/01/11/95/444011195.db2.gz OJPZTVRUADDKFM-HIFRSBDPSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn4cc[nH+]c4c3)CC[C@@H]21 ZINC000299301322 444011201 /nfs/dbraw/zinc/01/12/01/444011201.db2.gz OJPZTVRUADDKFM-HIFRSBDPSA-N 2 2 341.415 1.216 20 0 EDADLP COC[C@@H]1CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000293621221 444072831 /nfs/dbraw/zinc/07/28/31/444072831.db2.gz QHELCWJNVKQMAX-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP COC[C@@H]1CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000293621221 444072835 /nfs/dbraw/zinc/07/28/35/444072835.db2.gz QHELCWJNVKQMAX-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000560984586 321030199 /nfs/dbraw/zinc/03/01/99/321030199.db2.gz WULWMWLNRYIINK-GOSISDBHSA-N 2 2 347.463 1.738 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)[NH+]1CCOCC1 ZINC000561108598 321033002 /nfs/dbraw/zinc/03/30/02/321033002.db2.gz CJFCIKAJBLIXCT-RDJZCZTQSA-N 2 2 325.497 1.580 20 0 EDADLP COc1cc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)ccc1C ZINC000562502134 321060192 /nfs/dbraw/zinc/06/01/92/321060192.db2.gz SQOOMWPCFVFJGW-UHFFFAOYSA-N 2 2 335.492 1.483 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000562957063 321083377 /nfs/dbraw/zinc/08/33/77/321083377.db2.gz RRMDTWJSGJARFA-XOKHGSTOSA-N 2 2 335.423 1.283 20 0 EDADLP CC(C)OCC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000562988449 321085263 /nfs/dbraw/zinc/08/52/63/321085263.db2.gz NSFWNVWDEDJGDH-LJQANCHMSA-N 2 2 336.476 1.784 20 0 EDADLP C[C@H](CC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)n1cc[nH+]c1 ZINC000563237685 321103231 /nfs/dbraw/zinc/10/32/31/321103231.db2.gz JRYXHCAMAVLEKJ-VQHPVUNQSA-N 2 2 334.464 1.934 20 0 EDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)C[NH+]3CC(C)(C)C3)cc2)CC1 ZINC000563379174 321106981 /nfs/dbraw/zinc/10/69/81/321106981.db2.gz ZDTDGPZRWGNSME-UHFFFAOYSA-N 2 2 344.503 1.392 20 0 EDADLP CN1CC[NH+](Cc2ccc(CNC(=O)C[NH+]3CC(C)(C)C3)cc2)CC1 ZINC000563379174 321106982 /nfs/dbraw/zinc/10/69/82/321106982.db2.gz ZDTDGPZRWGNSME-UHFFFAOYSA-N 2 2 344.503 1.392 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000299592863 444089828 /nfs/dbraw/zinc/08/98/28/444089828.db2.gz WNZJRUIDGLZOSA-LJQANCHMSA-N 2 2 344.503 1.535 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000299592863 444089833 /nfs/dbraw/zinc/08/98/33/444089833.db2.gz WNZJRUIDGLZOSA-LJQANCHMSA-N 2 2 344.503 1.535 20 0 EDADLP Cc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Br ZINC000565480080 321188391 /nfs/dbraw/zinc/18/83/91/321188391.db2.gz SXHSWOLOEGEOLG-CYBMUJFWSA-N 2 2 340.265 1.401 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000278107889 444098095 /nfs/dbraw/zinc/09/80/95/444098095.db2.gz KEXJIYHGOPWEPC-INIZCTEOSA-N 2 2 343.475 1.834 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)[NH+]1CC(C)C1 ZINC000567625653 321249224 /nfs/dbraw/zinc/24/92/24/321249224.db2.gz UNPZCXXKOMVNPQ-GOEBONIOSA-N 2 2 331.464 1.501 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1CC[NH+](CC(F)F)CC1)CC2 ZINC000568222302 321282298 /nfs/dbraw/zinc/28/22/98/321282298.db2.gz MUEPTZABOGUQSQ-CQSZACIVSA-N 2 2 340.418 1.847 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000568289755 321286363 /nfs/dbraw/zinc/28/63/63/321286363.db2.gz PDPVXQILDNIEEB-DFEOGRTESA-N 2 2 340.508 1.595 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000568289755 321286364 /nfs/dbraw/zinc/28/63/64/321286364.db2.gz PDPVXQILDNIEEB-DFEOGRTESA-N 2 2 340.508 1.595 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000568289755 321286366 /nfs/dbraw/zinc/28/63/66/321286366.db2.gz PDPVXQILDNIEEB-DFEOGRTESA-N 2 2 340.508 1.595 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000568289755 321286367 /nfs/dbraw/zinc/28/63/67/321286367.db2.gz PDPVXQILDNIEEB-DFEOGRTESA-N 2 2 340.508 1.595 20 0 EDADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)n1cc[nH+]c1 ZINC000568396449 321289946 /nfs/dbraw/zinc/28/99/46/321289946.db2.gz IXPVFOOFTWFSHQ-SJLPKXTDSA-N 2 2 342.443 1.851 20 0 EDADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)n1cc[nH+]c1 ZINC000568396449 321289947 /nfs/dbraw/zinc/28/99/47/321289947.db2.gz IXPVFOOFTWFSHQ-SJLPKXTDSA-N 2 2 342.443 1.851 20 0 EDADLP Cc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cnn1-c1ccccc1F ZINC000569091270 321318403 /nfs/dbraw/zinc/31/84/03/321318403.db2.gz ZFJUJTWPLJPESB-CYBMUJFWSA-N 2 2 346.410 1.426 20 0 EDADLP Cc1c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cnn1-c1ccccc1F ZINC000569091270 321318405 /nfs/dbraw/zinc/31/84/05/321318405.db2.gz ZFJUJTWPLJPESB-CYBMUJFWSA-N 2 2 346.410 1.426 20 0 EDADLP Cc1[nH+]c2ccccc2c(N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1C ZINC000282164611 444102841 /nfs/dbraw/zinc/10/28/41/444102841.db2.gz DHFWICCOUKKAAG-OAHLLOKOSA-N 2 2 342.443 1.474 20 0 EDADLP Cc1[nH+]c2ccccc2c(N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1C ZINC000282164611 444102846 /nfs/dbraw/zinc/10/28/46/444102846.db2.gz DHFWICCOUKKAAG-OAHLLOKOSA-N 2 2 342.443 1.474 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC(=O)N(C)[C@H](C)C3)c2cc1C ZINC000282221708 444118661 /nfs/dbraw/zinc/11/86/61/444118661.db2.gz OYTJOYSYCLCPLR-CABCVRRESA-N 2 2 330.432 1.177 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC(=O)N(C)[C@H](C)C3)c2cc1C ZINC000282221708 444118662 /nfs/dbraw/zinc/11/86/62/444118662.db2.gz OYTJOYSYCLCPLR-CABCVRRESA-N 2 2 330.432 1.177 20 0 EDADLP COc1c(N)nc[nH+]c1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000570817017 321359918 /nfs/dbraw/zinc/35/99/18/321359918.db2.gz ZXNFQCWEJNINCJ-STQMWFEESA-N 2 2 335.452 1.393 20 0 EDADLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cncnc3)CC2)C[C@H](C)O1 ZINC000570886600 321361378 /nfs/dbraw/zinc/36/13/78/321361378.db2.gz ZJAXQAXKYUXILP-IYBDPMFKSA-N 2 2 334.464 1.567 20 0 EDADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cncnc3)CC2)C[C@H](C)O1 ZINC000570886600 321361380 /nfs/dbraw/zinc/36/13/80/321361380.db2.gz ZJAXQAXKYUXILP-IYBDPMFKSA-N 2 2 334.464 1.567 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000570893194 321361785 /nfs/dbraw/zinc/36/17/85/321361785.db2.gz WZNZMORRTWIASO-UHFFFAOYSA-N 2 2 331.504 1.381 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000571268465 321381516 /nfs/dbraw/zinc/38/15/16/321381516.db2.gz OXHMQKGCFQYFSL-ZIAGYGMSSA-N 2 2 332.439 1.651 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000571268465 321381517 /nfs/dbraw/zinc/38/15/17/321381517.db2.gz OXHMQKGCFQYFSL-ZIAGYGMSSA-N 2 2 332.439 1.651 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ncoc2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000571268350 321381690 /nfs/dbraw/zinc/38/16/90/321381690.db2.gz AXZNOLQCJXUDNN-AWEZNQCLSA-N 2 2 329.404 1.126 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ncoc2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000571268350 321381692 /nfs/dbraw/zinc/38/16/92/321381692.db2.gz AXZNOLQCJXUDNN-AWEZNQCLSA-N 2 2 329.404 1.126 20 0 EDADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000571408022 321386365 /nfs/dbraw/zinc/38/63/65/321386365.db2.gz OUZPURMUYSBQNY-MRVWCRGKSA-N 2 2 338.477 1.688 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CCn3cc[nH+]c3)c[nH+]2)CCO1 ZINC000299659817 444109305 /nfs/dbraw/zinc/10/93/05/444109305.db2.gz MWDQGKZVLWJSLE-AWEZNQCLSA-N 2 2 329.404 1.210 20 0 EDADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289338640 444112287 /nfs/dbraw/zinc/11/22/87/444112287.db2.gz LQLSGWLSHNVAFC-MRXNPFEDSA-N 2 2 346.475 1.907 20 0 EDADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289338640 444112291 /nfs/dbraw/zinc/11/22/91/444112291.db2.gz LQLSGWLSHNVAFC-MRXNPFEDSA-N 2 2 346.475 1.907 20 0 EDADLP C[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000285805001 444113743 /nfs/dbraw/zinc/11/37/43/444113743.db2.gz QWOSZUIIDBCCCB-SFHVURJKSA-N 2 2 345.487 1.483 20 0 EDADLP C[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000285805001 444113745 /nfs/dbraw/zinc/11/37/45/444113745.db2.gz QWOSZUIIDBCCCB-SFHVURJKSA-N 2 2 345.487 1.483 20 0 EDADLP Cn1ncc(C[NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000289398560 444130602 /nfs/dbraw/zinc/13/06/02/444130602.db2.gz NPOVZKOBULSNTO-CQSZACIVSA-N 2 2 332.477 1.758 20 0 EDADLP Cn1ncc(C[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000289398560 444130605 /nfs/dbraw/zinc/13/06/05/444130605.db2.gz NPOVZKOBULSNTO-CQSZACIVSA-N 2 2 332.477 1.758 20 0 EDADLP CC(C)[N@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289470883 444152542 /nfs/dbraw/zinc/15/25/42/444152542.db2.gz HHUDMVUTIZWEQS-QZTJIDSGSA-N 2 2 336.476 1.592 20 0 EDADLP CC(C)[N@@H+](C[C@@H](O)COc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289470883 444152543 /nfs/dbraw/zinc/15/25/43/444152543.db2.gz HHUDMVUTIZWEQS-QZTJIDSGSA-N 2 2 336.476 1.592 20 0 EDADLP CC(C)[NH+](C[C@@H](O)COc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289470883 444152544 /nfs/dbraw/zinc/15/25/44/444152544.db2.gz HHUDMVUTIZWEQS-QZTJIDSGSA-N 2 2 336.476 1.592 20 0 EDADLP CC(C)[NH+](C[C@@H](O)COc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289470883 444152545 /nfs/dbraw/zinc/15/25/45/444152545.db2.gz HHUDMVUTIZWEQS-QZTJIDSGSA-N 2 2 336.476 1.592 20 0 EDADLP CC[C@@H](C(=O)N[C@@H]1CCC[NH+](CCOC)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000616408054 450412345 /nfs/dbraw/zinc/41/23/45/450412345.db2.gz QPRXKJACVMFSIX-ZACQAIPSSA-N 2 2 341.496 1.103 20 0 EDADLP CC[C@@H](C(=O)N[C@@H]1CCC[NH+](CCOC)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000616408054 450412349 /nfs/dbraw/zinc/41/23/49/450412349.db2.gz QPRXKJACVMFSIX-ZACQAIPSSA-N 2 2 341.496 1.103 20 0 EDADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCOC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000616408054 450412351 /nfs/dbraw/zinc/41/23/51/450412351.db2.gz QPRXKJACVMFSIX-ZACQAIPSSA-N 2 2 341.496 1.103 20 0 EDADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1)[NH+]1CCO[C@H](CC)C1 ZINC000616408054 450412354 /nfs/dbraw/zinc/41/23/54/450412354.db2.gz QPRXKJACVMFSIX-ZACQAIPSSA-N 2 2 341.496 1.103 20 0 EDADLP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C(F)F)n1 ZINC000576277379 321553025 /nfs/dbraw/zinc/55/30/25/321553025.db2.gz LFGJWMXYQUXIIF-KGLIPLIRSA-N 2 2 328.407 1.825 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNc2nc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000301932211 444197342 /nfs/dbraw/zinc/19/73/42/444197342.db2.gz PFHZRUSHQDFWNF-AWEZNQCLSA-N 2 2 335.500 1.499 20 0 EDADLP C[N@H+](C[C@H](O)CN(CC[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000289748600 444198319 /nfs/dbraw/zinc/19/83/19/444198319.db2.gz IRKQPEIGWOZWBP-IBGZPJMESA-N 2 2 333.476 1.280 20 0 EDADLP C[N@@H+](C[C@H](O)CN(CC[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000289748600 444198320 /nfs/dbraw/zinc/19/83/20/444198320.db2.gz IRKQPEIGWOZWBP-IBGZPJMESA-N 2 2 333.476 1.280 20 0 EDADLP COCCOCc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000289760717 444199892 /nfs/dbraw/zinc/19/98/92/444199892.db2.gz OOPFXFOHOOCFNC-GOSISDBHSA-N 2 2 349.475 1.279 20 0 EDADLP COCCOCc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000289760717 444199893 /nfs/dbraw/zinc/19/98/93/444199893.db2.gz OOPFXFOHOOCFNC-GOSISDBHSA-N 2 2 349.475 1.279 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000576472861 321569981 /nfs/dbraw/zinc/56/99/81/321569981.db2.gz JQVNWRVQNYTJSS-OAHLLOKOSA-N 2 2 331.382 1.798 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000290248997 444259013 /nfs/dbraw/zinc/25/90/13/444259013.db2.gz WEHASSGJAFYYIS-IRXDYDNUSA-N 2 2 331.460 1.728 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)CC1 ZINC000305205431 444265020 /nfs/dbraw/zinc/26/50/20/444265020.db2.gz CLDDPBJUDGNYKN-LJQANCHMSA-N 3 2 334.508 1.231 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000297017336 444268400 /nfs/dbraw/zinc/26/84/00/444268400.db2.gz QDCSJHAPTPGYNH-AWEZNQCLSA-N 2 2 345.447 1.952 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000297017336 444268403 /nfs/dbraw/zinc/26/84/03/444268403.db2.gz QDCSJHAPTPGYNH-AWEZNQCLSA-N 2 2 345.447 1.952 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000289994700 444228267 /nfs/dbraw/zinc/22/82/67/444228267.db2.gz OZPIJXYDLOITQP-SQNIBIBYSA-N 2 2 331.460 1.392 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000289994700 444228268 /nfs/dbraw/zinc/22/82/68/444228268.db2.gz OZPIJXYDLOITQP-SQNIBIBYSA-N 2 2 331.460 1.392 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000302889203 444230049 /nfs/dbraw/zinc/23/00/49/444230049.db2.gz NCFQAAAYSFVTIV-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302889203 444230051 /nfs/dbraw/zinc/23/00/51/444230051.db2.gz NCFQAAAYSFVTIV-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000302889203 444230053 /nfs/dbraw/zinc/23/00/53/444230053.db2.gz NCFQAAAYSFVTIV-HZPDHXFCSA-N 2 2 333.480 1.606 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000290809842 444325844 /nfs/dbraw/zinc/32/58/44/444325844.db2.gz VQLDBKRHSCBPAS-INIZCTEOSA-N 2 2 327.432 1.884 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000290809842 444325845 /nfs/dbraw/zinc/32/58/45/444325845.db2.gz VQLDBKRHSCBPAS-INIZCTEOSA-N 2 2 327.432 1.884 20 0 EDADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000577628483 321669432 /nfs/dbraw/zinc/66/94/32/321669432.db2.gz HMTATMWCJIETNG-FUHWJXTLSA-N 2 2 349.500 1.319 20 0 EDADLP CC(C)[C@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)[NH+]1CCOCC1 ZINC000290800793 444324600 /nfs/dbraw/zinc/32/46/00/444324600.db2.gz VKKNJFOUZQTINQ-HNNXBMFYSA-N 2 2 331.420 1.813 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000321792625 444337511 /nfs/dbraw/zinc/33/75/11/444337511.db2.gz VOZHTQAIEDDIAB-LLVKDONJSA-N 2 2 332.326 1.692 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H](C[NH3+])C1 ZINC000321792625 444337512 /nfs/dbraw/zinc/33/75/12/444337512.db2.gz VOZHTQAIEDDIAB-LLVKDONJSA-N 2 2 332.326 1.692 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000578939465 321854245 /nfs/dbraw/zinc/85/42/45/321854245.db2.gz CMFQLHWAYHCZOU-ZDUSSCGKSA-N 2 2 333.423 1.048 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1c1ccccc1 ZINC000328242418 444385925 /nfs/dbraw/zinc/38/59/25/444385925.db2.gz ISDMVVRJPWJKOY-WBVHZDCISA-N 2 2 344.459 1.429 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1c1ccccc1 ZINC000328242418 444385929 /nfs/dbraw/zinc/38/59/29/444385929.db2.gz ISDMVVRJPWJKOY-WBVHZDCISA-N 2 2 344.459 1.429 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)nc[nH+]1 ZINC000328703480 444435769 /nfs/dbraw/zinc/43/57/69/444435769.db2.gz OFNANZZEEMMGRM-IAGOWNOFSA-N 2 2 345.491 1.750 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]cn1 ZINC000328703480 444435772 /nfs/dbraw/zinc/43/57/72/444435772.db2.gz OFNANZZEEMMGRM-IAGOWNOFSA-N 2 2 345.491 1.750 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000580275067 322028827 /nfs/dbraw/zinc/02/88/27/322028827.db2.gz WFEPQQCXVGEFHV-JKSUJKDBSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000580275067 322028828 /nfs/dbraw/zinc/02/88/28/322028828.db2.gz WFEPQQCXVGEFHV-JKSUJKDBSA-N 2 2 338.496 1.271 20 0 EDADLP COCCC1(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CCCC1 ZINC000580543527 322063831 /nfs/dbraw/zinc/06/38/31/322063831.db2.gz GSGCSJPBNOXGKG-ULQDDVLXSA-N 2 2 328.497 1.643 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2cc(Cl)ccc2OC)CC1 ZINC000581136050 322141064 /nfs/dbraw/zinc/14/10/64/322141064.db2.gz QRFCYKXAWPRPFL-KRWDZBQOSA-N 2 2 341.883 1.437 20 0 EDADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2cc(Cl)ccc2OC)CC1 ZINC000581136050 322141065 /nfs/dbraw/zinc/14/10/65/322141065.db2.gz QRFCYKXAWPRPFL-KRWDZBQOSA-N 2 2 341.883 1.437 20 0 EDADLP C[NH+](C)[C@H](C(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000581319163 322163622 /nfs/dbraw/zinc/16/36/22/322163622.db2.gz SCSVWGZYEUYQKC-INIZCTEOSA-N 2 2 339.867 1.781 20 0 EDADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@H]21 ZINC000329243458 444510620 /nfs/dbraw/zinc/51/06/20/444510620.db2.gz SWYLYGHLEABJSH-SJORKVTESA-N 2 2 326.400 1.086 20 0 EDADLP C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@H]21 ZINC000329243458 444510622 /nfs/dbraw/zinc/51/06/22/444510622.db2.gz SWYLYGHLEABJSH-SJORKVTESA-N 2 2 326.400 1.086 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CC[C@H]([NH+]4CCCCC4)C3)nc[nH+]2)C1 ZINC000329268579 444517493 /nfs/dbraw/zinc/51/74/93/444517493.db2.gz GQWMFKOYFRQEPC-SJORKVTESA-N 2 2 345.491 1.750 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCOCC1 ZINC000343734693 444552959 /nfs/dbraw/zinc/55/29/59/444552959.db2.gz MKAGQARVTZCBAL-AOIWGVFYSA-N 2 2 345.487 1.591 20 0 EDADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCOCC1 ZINC000343734693 444552960 /nfs/dbraw/zinc/55/29/60/444552960.db2.gz MKAGQARVTZCBAL-AOIWGVFYSA-N 2 2 345.487 1.591 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000342277570 444609049 /nfs/dbraw/zinc/60/90/49/444609049.db2.gz DRRWWCPAGZWZBM-NEWSRXKRSA-N 2 2 343.471 1.583 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000342277570 444609050 /nfs/dbraw/zinc/60/90/50/444609050.db2.gz DRRWWCPAGZWZBM-NEWSRXKRSA-N 2 2 343.471 1.583 20 0 EDADLP Cc1ccc(CCC[NH+]2CCC([C@@H]3OCC[C@@H]3C(N)=O)CC2)c[nH+]1 ZINC000343842336 444622139 /nfs/dbraw/zinc/62/21/39/444622139.db2.gz APQAMNJAFYHQIV-ROUUACIJSA-N 2 2 331.460 1.925 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)C1 ZINC000332997042 444624959 /nfs/dbraw/zinc/62/49/59/444624959.db2.gz DVKRSUXOJDMUEP-VYDXJSESSA-N 2 2 349.479 1.671 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000341101282 444674812 /nfs/dbraw/zinc/67/48/12/444674812.db2.gz BOLUSJWKABBAEQ-AWEZNQCLSA-N 2 2 337.468 1.460 20 0 EDADLP C[C@@H]1C[N@H+](CC[S@](=O)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343927679 444675136 /nfs/dbraw/zinc/67/51/36/444675136.db2.gz STJZYISPVUINKP-VUMVONDWSA-N 2 2 349.544 1.752 20 0 EDADLP C[C@@H]1C[N@@H+](CC[S@](=O)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343927679 444675140 /nfs/dbraw/zinc/67/51/40/444675140.db2.gz STJZYISPVUINKP-VUMVONDWSA-N 2 2 349.544 1.752 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC[C@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000333123478 444640371 /nfs/dbraw/zinc/64/03/71/444640371.db2.gz ABDBTXIWIYIEDK-CRAIPNDOSA-N 2 2 331.464 1.408 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC[C@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000333123478 444640372 /nfs/dbraw/zinc/64/03/72/444640372.db2.gz ABDBTXIWIYIEDK-CRAIPNDOSA-N 2 2 331.464 1.408 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000341042290 444647877 /nfs/dbraw/zinc/64/78/77/444647877.db2.gz BDPCXVFKRFZJEA-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000343995928 444716880 /nfs/dbraw/zinc/71/68/80/444716880.db2.gz ALYLTLGMQOUOOD-RDJZCZTQSA-N 2 2 328.460 1.851 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000343995928 444716882 /nfs/dbraw/zinc/71/68/82/444716882.db2.gz ALYLTLGMQOUOOD-RDJZCZTQSA-N 2 2 328.460 1.851 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341198575 444724143 /nfs/dbraw/zinc/72/41/43/444724143.db2.gz WYPILMQLHGQIBO-UHFFFAOYSA-N 2 2 339.461 1.747 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC(C)(C)C1 ZINC000344009656 444725644 /nfs/dbraw/zinc/72/56/44/444725644.db2.gz BINZFZUVQKBFEB-OAHLLOKOSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC(C)(C)C1 ZINC000344009656 444725649 /nfs/dbraw/zinc/72/56/49/444725649.db2.gz BINZFZUVQKBFEB-OAHLLOKOSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[NH+]1CCOCC1 ZINC000338425271 444687454 /nfs/dbraw/zinc/68/74/54/444687454.db2.gz JLYJACYACYFGKO-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+]2CCC1CC2 ZINC000341257777 444751493 /nfs/dbraw/zinc/75/14/93/444751493.db2.gz JCDZDIHKQWNDOD-UHFFFAOYSA-N 2 2 339.443 1.921 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342601771 444768944 /nfs/dbraw/zinc/76/89/44/444768944.db2.gz LCAYEWVXPNFDBI-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342601771 444768948 /nfs/dbraw/zinc/76/89/48/444768948.db2.gz LCAYEWVXPNFDBI-IRXDYDNUSA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@]1(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]C1 ZINC000342613048 444777355 /nfs/dbraw/zinc/77/73/55/444777355.db2.gz CJTJXKXOBGJJHC-LJQANCHMSA-N 2 2 331.460 1.638 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793782 444797043 /nfs/dbraw/zinc/79/70/43/444797043.db2.gz YIMXZNZKLJHVOS-ZJOUEHCJSA-N 3 2 343.515 1.895 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793782 444797047 /nfs/dbraw/zinc/79/70/47/444797047.db2.gz YIMXZNZKLJHVOS-ZJOUEHCJSA-N 3 2 343.515 1.895 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793782 444797054 /nfs/dbraw/zinc/79/70/54/444797054.db2.gz YIMXZNZKLJHVOS-ZJOUEHCJSA-N 3 2 343.515 1.895 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793782 444797057 /nfs/dbraw/zinc/79/70/57/444797057.db2.gz YIMXZNZKLJHVOS-ZJOUEHCJSA-N 3 2 343.515 1.895 20 0 EDADLP Cn1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000344244092 444858986 /nfs/dbraw/zinc/85/89/86/444858986.db2.gz BVJKJEGVBISVLD-HKUYNNGSSA-N 2 2 341.459 1.899 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000342790327 444868563 /nfs/dbraw/zinc/86/85/63/444868563.db2.gz ALZVCLBPWXYHOD-ZDUSSCGKSA-N 2 2 327.469 1.297 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CCCC[NH+]3C3CC3)C[C@H]21 ZINC000341544774 444885175 /nfs/dbraw/zinc/88/51/75/444885175.db2.gz IPXAGBDTFGBZEO-BRWVUGGUSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CCCC[NH+]3C3CC3)C[C@H]21 ZINC000341544774 444885177 /nfs/dbraw/zinc/88/51/77/444885177.db2.gz IPXAGBDTFGBZEO-BRWVUGGUSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)C[C@H]21 ZINC000341544774 444885180 /nfs/dbraw/zinc/88/51/80/444885180.db2.gz IPXAGBDTFGBZEO-BRWVUGGUSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C[C@H]21 ZINC000341544774 444885185 /nfs/dbraw/zinc/88/51/85/444885185.db2.gz IPXAGBDTFGBZEO-BRWVUGGUSA-N 2 2 336.480 1.118 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000342858037 444897910 /nfs/dbraw/zinc/89/79/10/444897910.db2.gz MSZNQYAYZOGZKL-ROUUACIJSA-N 2 2 327.432 1.481 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000342858037 444897916 /nfs/dbraw/zinc/89/79/16/444897916.db2.gz MSZNQYAYZOGZKL-ROUUACIJSA-N 2 2 327.432 1.481 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000341588577 444909890 /nfs/dbraw/zinc/90/98/90/444909890.db2.gz BMANHBIZNQLAKT-BPQIPLTHSA-N 2 2 331.460 1.374 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000341588577 444909892 /nfs/dbraw/zinc/90/98/92/444909892.db2.gz BMANHBIZNQLAKT-BPQIPLTHSA-N 2 2 331.460 1.374 20 0 EDADLP C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000337103096 444943924 /nfs/dbraw/zinc/94/39/24/444943924.db2.gz RAGSWLVXHHAOAA-YJJCSNFXSA-N 2 2 335.492 1.569 20 0 EDADLP C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000337103096 444943929 /nfs/dbraw/zinc/94/39/29/444943929.db2.gz RAGSWLVXHHAOAA-YJJCSNFXSA-N 2 2 335.492 1.569 20 0 EDADLP Cc1nc(N2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000339088458 445026947 /nfs/dbraw/zinc/02/69/47/445026947.db2.gz PKKMIVONBWMECF-QGZVFWFLSA-N 2 2 330.407 1.650 20 0 EDADLP C[C@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000337213985 444987855 /nfs/dbraw/zinc/98/78/55/444987855.db2.gz DOSXDSDUUDHGLP-OAHLLOKOSA-N 2 2 347.488 1.267 20 0 EDADLP C[NH+](C)C[C@@](C)(O)CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342983816 444988720 /nfs/dbraw/zinc/98/87/20/444988720.db2.gz MFGHFDJCYBKRSE-QAPCUYQASA-N 2 2 330.432 1.361 20 0 EDADLP CC[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC000341801111 445007836 /nfs/dbraw/zinc/00/78/36/445007836.db2.gz SRHZYLTWHPKQNO-MRXNPFEDSA-N 2 2 331.460 1.685 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC000341801111 445007843 /nfs/dbraw/zinc/00/78/43/445007843.db2.gz SRHZYLTWHPKQNO-MRXNPFEDSA-N 2 2 331.460 1.685 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000337283312 445015420 /nfs/dbraw/zinc/01/54/20/445015420.db2.gz KIOXRWBRMIZCSJ-HNNXBMFYSA-N 2 2 334.489 1.476 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000337380509 445056604 /nfs/dbraw/zinc/05/66/04/445056604.db2.gz IUSHGTBZTOJSDC-GOSISDBHSA-N 2 2 339.524 1.315 20 0 EDADLP C[C@@H](C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)N1CC[NH+](C)CC1 ZINC000341901788 445061989 /nfs/dbraw/zinc/06/19/89/445061989.db2.gz NJLVBPIVVSEYBT-KRWDZBQOSA-N 2 2 347.507 1.538 20 0 EDADLP CC(C)CN1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)C1=O ZINC000337411302 445068552 /nfs/dbraw/zinc/06/85/52/445068552.db2.gz LSAKSHFAKCJCLX-SFHVURJKSA-N 2 2 338.540 1.591 20 0 EDADLP CC(C)CN1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)C1=O ZINC000337411302 445068553 /nfs/dbraw/zinc/06/85/53/445068553.db2.gz LSAKSHFAKCJCLX-SFHVURJKSA-N 2 2 338.540 1.591 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@H](C)OC[C@H]3C)CC2)c1 ZINC000337486297 445101418 /nfs/dbraw/zinc/10/14/18/445101418.db2.gz YZCUUHOUVFTPIU-MSOLQXFVSA-N 2 2 345.487 1.748 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@H](C)OC[C@H]3C)CC2)c1 ZINC000337486297 445101422 /nfs/dbraw/zinc/10/14/22/445101422.db2.gz YZCUUHOUVFTPIU-MSOLQXFVSA-N 2 2 345.487 1.748 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000343276054 445173487 /nfs/dbraw/zinc/17/34/87/445173487.db2.gz QUZLCQGIKQXCRD-MRXNPFEDSA-N 2 2 332.448 1.080 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C[C@@H](C)O ZINC000345329612 445180974 /nfs/dbraw/zinc/18/09/74/445180974.db2.gz SFLRPLNIDBIZBD-ZBFHGGJFSA-N 2 2 349.479 1.206 20 0 EDADLP CC[C@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[N@H+]1C[C@@H](C)O ZINC000345329612 445180979 /nfs/dbraw/zinc/18/09/79/445180979.db2.gz SFLRPLNIDBIZBD-ZBFHGGJFSA-N 2 2 349.479 1.206 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337574301 445145396 /nfs/dbraw/zinc/14/53/96/445145396.db2.gz VCWJYSXSYRRUDL-RDJZCZTQSA-N 2 2 346.475 1.646 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000337574301 445145399 /nfs/dbraw/zinc/14/53/99/445145399.db2.gz VCWJYSXSYRRUDL-RDJZCZTQSA-N 2 2 346.475 1.646 20 0 EDADLP CCc1ccc([C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000337597143 445158614 /nfs/dbraw/zinc/15/86/14/445158614.db2.gz BNCRSUMYUSSBNP-APWZRJJASA-N 2 2 345.487 1.690 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1C[NH+](C2CC2)CCO1)[N@H+](C)Cc1ccccc1 ZINC000343346380 445206436 /nfs/dbraw/zinc/20/64/36/445206436.db2.gz HCVVKMXIRXKSCU-RBUKOAKNSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1C[NH+](C2CC2)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000343346380 445206437 /nfs/dbraw/zinc/20/64/37/445206437.db2.gz HCVVKMXIRXKSCU-RBUKOAKNSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343346380 445206438 /nfs/dbraw/zinc/20/64/38/445206438.db2.gz HCVVKMXIRXKSCU-RBUKOAKNSA-N 2 2 345.487 1.876 20 0 EDADLP CC[C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+](C)Cc1ccccc1 ZINC000343346380 445206439 /nfs/dbraw/zinc/20/64/39/445206439.db2.gz HCVVKMXIRXKSCU-RBUKOAKNSA-N 2 2 345.487 1.876 20 0 EDADLP CC(C)NC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346933508 445228315 /nfs/dbraw/zinc/22/83/15/445228315.db2.gz PZJTZNLAXUMGLU-YJBOKZPZSA-N 2 2 335.496 1.650 20 0 EDADLP CC(C)NC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346933508 445228316 /nfs/dbraw/zinc/22/83/16/445228316.db2.gz PZJTZNLAXUMGLU-YJBOKZPZSA-N 2 2 335.496 1.650 20 0 EDADLP CC(C)NC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346933508 445228317 /nfs/dbraw/zinc/22/83/17/445228317.db2.gz PZJTZNLAXUMGLU-YJBOKZPZSA-N 2 2 335.496 1.650 20 0 EDADLP CC(C)NC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346933508 445228318 /nfs/dbraw/zinc/22/83/18/445228318.db2.gz PZJTZNLAXUMGLU-YJBOKZPZSA-N 2 2 335.496 1.650 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(COC)no2)C1 ZINC000343543810 445241148 /nfs/dbraw/zinc/24/11/48/445241148.db2.gz WMYXKFIUYVAKPF-KGLIPLIRSA-N 2 2 326.441 1.710 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nc(COC)no2)C1 ZINC000343543810 445241150 /nfs/dbraw/zinc/24/11/50/445241150.db2.gz WMYXKFIUYVAKPF-KGLIPLIRSA-N 2 2 326.441 1.710 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC000343543809 445241253 /nfs/dbraw/zinc/24/12/53/445241253.db2.gz WMYXKFIUYVAKPF-KBPBESRZSA-N 2 2 326.441 1.710 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(COC)no2)C1 ZINC000343543809 445241255 /nfs/dbraw/zinc/24/12/55/445241255.db2.gz WMYXKFIUYVAKPF-KBPBESRZSA-N 2 2 326.441 1.710 20 0 EDADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000347693923 445245255 /nfs/dbraw/zinc/24/52/55/445245255.db2.gz XWHSCXUDXGCEBT-ROUUACIJSA-N 2 2 337.508 1.678 20 0 EDADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000347693923 445245256 /nfs/dbraw/zinc/24/52/56/445245256.db2.gz XWHSCXUDXGCEBT-ROUUACIJSA-N 2 2 337.508 1.678 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CCC[N@@H+]1C ZINC000347755719 445246755 /nfs/dbraw/zinc/24/67/55/445246755.db2.gz NKGZJJUFNULDLL-MGPQQGTHSA-N 2 2 333.436 1.062 20 0 EDADLP C[C@@H]1[C@H](NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CCC[N@H+]1C ZINC000347755719 445246758 /nfs/dbraw/zinc/24/67/58/445246758.db2.gz NKGZJJUFNULDLL-MGPQQGTHSA-N 2 2 333.436 1.062 20 0 EDADLP CCOC(=O)[C@H](C)[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348096391 445266113 /nfs/dbraw/zinc/26/61/13/445266113.db2.gz ABMPYBDYTNXSNG-MJBXVCDLSA-N 2 2 326.416 1.216 20 0 EDADLP CCOC(=O)[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348096391 445266114 /nfs/dbraw/zinc/26/61/14/445266114.db2.gz ABMPYBDYTNXSNG-MJBXVCDLSA-N 2 2 326.416 1.216 20 0 EDADLP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000348530764 445315741 /nfs/dbraw/zinc/31/57/41/445315741.db2.gz BPYGHEPCTMPXAH-DLBZAZTESA-N 2 2 339.528 1.044 20 0 EDADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000348530764 445315743 /nfs/dbraw/zinc/31/57/43/445315743.db2.gz BPYGHEPCTMPXAH-DLBZAZTESA-N 2 2 339.528 1.044 20 0 EDADLP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000348530764 445315745 /nfs/dbraw/zinc/31/57/45/445315745.db2.gz BPYGHEPCTMPXAH-DLBZAZTESA-N 2 2 339.528 1.044 20 0 EDADLP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000348530764 445315746 /nfs/dbraw/zinc/31/57/46/445315746.db2.gz BPYGHEPCTMPXAH-DLBZAZTESA-N 2 2 339.528 1.044 20 0 EDADLP OC[C@H]1CSCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351729698 445296518 /nfs/dbraw/zinc/29/65/18/445296518.db2.gz HOYWMEPYVCNYQA-SFHVURJKSA-N 2 2 335.517 1.608 20 0 EDADLP OC[C@H]1CSCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351729698 445296519 /nfs/dbraw/zinc/29/65/19/445296519.db2.gz HOYWMEPYVCNYQA-SFHVURJKSA-N 2 2 335.517 1.608 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)C1 ZINC000348464300 445300252 /nfs/dbraw/zinc/30/02/52/445300252.db2.gz YFGLAAGABQNNDZ-SJORKVTESA-N 2 2 346.475 1.683 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)C1 ZINC000348464300 445300256 /nfs/dbraw/zinc/30/02/56/445300256.db2.gz YFGLAAGABQNNDZ-SJORKVTESA-N 2 2 346.475 1.683 20 0 EDADLP Cc1ncc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000351832002 445336545 /nfs/dbraw/zinc/33/65/45/445336545.db2.gz DUCKWPOJBNMLNT-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ncc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000351832002 445336549 /nfs/dbraw/zinc/33/65/49/445336549.db2.gz DUCKWPOJBNMLNT-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ncc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000351832002 445336552 /nfs/dbraw/zinc/33/65/52/445336552.db2.gz DUCKWPOJBNMLNT-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP Cc1ncc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000351832002 445336556 /nfs/dbraw/zinc/33/65/56/445336556.db2.gz DUCKWPOJBNMLNT-IBGZPJMESA-N 2 2 326.444 1.854 20 0 EDADLP C[N@H+](CCC(=O)N1CCOc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000348278061 445336849 /nfs/dbraw/zinc/33/68/49/445336849.db2.gz UDYHWEXWCAKOPO-UHFFFAOYSA-N 2 2 347.459 1.191 20 0 EDADLP C[N@@H+](CCC(=O)N1CCOc2ccccc21)C1CC[NH+](CCO)CC1 ZINC000348278061 445336851 /nfs/dbraw/zinc/33/68/51/445336851.db2.gz UDYHWEXWCAKOPO-UHFFFAOYSA-N 2 2 347.459 1.191 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000351859084 445345204 /nfs/dbraw/zinc/34/52/04/445345204.db2.gz ZTMBWVRGMMHKGR-WDEREUQCSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(OC)cc1Cl ZINC000351859084 445345206 /nfs/dbraw/zinc/34/52/06/445345206.db2.gz ZTMBWVRGMMHKGR-WDEREUQCSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000351864502 445347214 /nfs/dbraw/zinc/34/72/14/445347214.db2.gz YIWPUSAGZDINBG-MNOVXSKESA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000351864502 445347217 /nfs/dbraw/zinc/34/72/17/445347217.db2.gz YIWPUSAGZDINBG-MNOVXSKESA-N 2 2 341.839 1.965 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCc1nc2ccccc2s1 ZINC000357071103 445407233 /nfs/dbraw/zinc/40/72/33/445407233.db2.gz BNBBFBDVSOXZGU-KGLIPLIRSA-N 2 2 344.484 1.496 20 0 EDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCc1nc2ccccc2s1 ZINC000357071103 445407237 /nfs/dbraw/zinc/40/72/37/445407237.db2.gz BNBBFBDVSOXZGU-KGLIPLIRSA-N 2 2 344.484 1.496 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000354857615 445428242 /nfs/dbraw/zinc/42/82/42/445428242.db2.gz AWVXSUYOVBAFPO-HZPDHXFCSA-N 2 2 345.422 1.221 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC000357113440 445435829 /nfs/dbraw/zinc/43/58/29/445435829.db2.gz ZMTSJZMFQOSATK-UHFFFAOYSA-N 2 2 340.265 1.655 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC000357113440 445435831 /nfs/dbraw/zinc/43/58/31/445435831.db2.gz ZMTSJZMFQOSATK-UHFFFAOYSA-N 2 2 340.265 1.655 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2oncc2C(=O)OC)C1 ZINC000352013309 445438500 /nfs/dbraw/zinc/43/85/00/445438500.db2.gz IPNSGRJOLQCFHO-CYBMUJFWSA-N 2 2 325.409 1.394 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2oncc2C(=O)OC)C1 ZINC000352013309 445438504 /nfs/dbraw/zinc/43/85/04/445438504.db2.gz IPNSGRJOLQCFHO-CYBMUJFWSA-N 2 2 325.409 1.394 20 0 EDADLP COc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000348934427 445446972 /nfs/dbraw/zinc/44/69/72/445446972.db2.gz MWROLQQQWGQYQF-UHFFFAOYSA-N 2 2 332.448 1.076 20 0 EDADLP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362701865 445507567 /nfs/dbraw/zinc/50/75/67/445507567.db2.gz LACYAACQLOIUOL-HUUCEWRRSA-N 2 2 337.430 1.913 20 0 EDADLP C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362701865 445507568 /nfs/dbraw/zinc/50/75/68/445507568.db2.gz LACYAACQLOIUOL-HUUCEWRRSA-N 2 2 337.430 1.913 20 0 EDADLP COC(=O)COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000349125629 445515546 /nfs/dbraw/zinc/51/55/46/445515546.db2.gz FJOWQJIEMCAYKS-HNNXBMFYSA-N 2 2 329.400 1.961 20 0 EDADLP COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000349125629 445515550 /nfs/dbraw/zinc/51/55/50/445515550.db2.gz FJOWQJIEMCAYKS-HNNXBMFYSA-N 2 2 329.400 1.961 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000357248263 445506200 /nfs/dbraw/zinc/50/62/00/445506200.db2.gz CRSAGKMZDYLHST-HUUCEWRRSA-N 2 2 349.479 1.000 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000357248263 445506204 /nfs/dbraw/zinc/50/62/04/445506204.db2.gz CRSAGKMZDYLHST-HUUCEWRRSA-N 2 2 349.479 1.000 20 0 EDADLP COCCO[C@H]1COCC[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352736361 445551619 /nfs/dbraw/zinc/55/16/19/445551619.db2.gz LSDUAFGUNMNVQM-KGLIPLIRSA-N 2 2 329.466 1.115 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000362827606 445569282 /nfs/dbraw/zinc/56/92/82/445569282.db2.gz AJUWRGXNIJCFLY-MRXNPFEDSA-N 2 2 340.427 1.738 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000362827606 445569285 /nfs/dbraw/zinc/56/92/85/445569285.db2.gz AJUWRGXNIJCFLY-MRXNPFEDSA-N 2 2 340.427 1.738 20 0 EDADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1C ZINC000362836131 445573846 /nfs/dbraw/zinc/57/38/46/445573846.db2.gz DPELSWMQFCSKEZ-QGZVFWFLSA-N 2 2 344.459 1.138 20 0 EDADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1C ZINC000362836131 445573850 /nfs/dbraw/zinc/57/38/50/445573850.db2.gz DPELSWMQFCSKEZ-QGZVFWFLSA-N 2 2 344.459 1.138 20 0 EDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccon1 ZINC000349235769 445541995 /nfs/dbraw/zinc/54/19/95/445541995.db2.gz GGIQUNJMNMMXLN-AWEZNQCLSA-N 2 2 329.404 1.459 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000353523035 445641136 /nfs/dbraw/zinc/64/11/36/445641136.db2.gz QBSCIZIHAYKLNB-IUODEOHRSA-N 2 2 325.840 1.519 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000358150355 445608478 /nfs/dbraw/zinc/60/84/78/445608478.db2.gz ZXKVMOXLSXRABW-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000358150355 445608480 /nfs/dbraw/zinc/60/84/80/445608480.db2.gz ZXKVMOXLSXRABW-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000358150355 445608484 /nfs/dbraw/zinc/60/84/84/445608484.db2.gz ZXKVMOXLSXRABW-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000358150355 445608488 /nfs/dbraw/zinc/60/84/88/445608488.db2.gz ZXKVMOXLSXRABW-XHSDSOJGSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)CN1CC1(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)COC1 ZINC000360209496 445629018 /nfs/dbraw/zinc/62/90/18/445629018.db2.gz QIFCZNMXJZIKCR-USTZCAOPSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)CN1CC1(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)COC1 ZINC000360209496 445629022 /nfs/dbraw/zinc/62/90/22/445629022.db2.gz QIFCZNMXJZIKCR-USTZCAOPSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC1(C[NH+]2C[C@H](C)N(C)C[C@@H]2C)COC1 ZINC000360209496 445629026 /nfs/dbraw/zinc/62/90/26/445629026.db2.gz QIFCZNMXJZIKCR-USTZCAOPSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC1(C[NH+]2C[C@H](C)N(C)C[C@@H]2C)COC1 ZINC000360209496 445629030 /nfs/dbraw/zinc/62/90/30/445629030.db2.gz QIFCZNMXJZIKCR-USTZCAOPSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[N@H+](CC2(CN3C[C@H](C)[NH+](C)C[C@@H]3C)COC2)[C@H](C)CN1C ZINC000360209496 445629033 /nfs/dbraw/zinc/62/90/33/445629033.db2.gz QIFCZNMXJZIKCR-USTZCAOPSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[N@@H+](CC2(CN3C[C@H](C)[NH+](C)C[C@@H]3C)COC2)[C@H](C)CN1C ZINC000360209496 445629036 /nfs/dbraw/zinc/62/90/36/445629036.db2.gz QIFCZNMXJZIKCR-USTZCAOPSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[NH+](CC2(CN3C[C@H](C)[N@H+](C)C[C@@H]3C)COC2)[C@H](C)CN1C ZINC000360209496 445629040 /nfs/dbraw/zinc/62/90/40/445629040.db2.gz QIFCZNMXJZIKCR-USTZCAOPSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@@H]1C[NH+](CC2(CN3C[C@H](C)[N@@H+](C)C[C@@H]3C)COC2)[C@H](C)CN1C ZINC000360209496 445629043 /nfs/dbraw/zinc/62/90/43/445629043.db2.gz QIFCZNMXJZIKCR-USTZCAOPSA-N 2 2 338.540 1.052 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000358522594 445631890 /nfs/dbraw/zinc/63/18/90/445631890.db2.gz RKQYAUCKCVIERO-BPQIPLTHSA-N 2 2 348.491 1.650 20 0 EDADLP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000358522594 445631893 /nfs/dbraw/zinc/63/18/93/445631893.db2.gz RKQYAUCKCVIERO-BPQIPLTHSA-N 2 2 348.491 1.650 20 0 EDADLP C[NH+]1CCC(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000360149819 445596633 /nfs/dbraw/zinc/59/66/33/445596633.db2.gz JUPRIMMGIOWGHJ-UHFFFAOYSA-N 2 2 326.444 1.932 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000349701080 445649411 /nfs/dbraw/zinc/64/94/11/445649411.db2.gz FSAHVHOBJRBXCK-INIZCTEOSA-N 2 2 345.447 1.553 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000349701080 445649413 /nfs/dbraw/zinc/64/94/13/445649413.db2.gz FSAHVHOBJRBXCK-INIZCTEOSA-N 2 2 345.447 1.553 20 0 EDADLP CCCc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000363053674 445662158 /nfs/dbraw/zinc/66/21/58/445662158.db2.gz NJHKBSLWDDDWLJ-CYBMUJFWSA-N 2 2 336.505 1.994 20 0 EDADLP CCCc1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000363053674 445662161 /nfs/dbraw/zinc/66/21/61/445662161.db2.gz NJHKBSLWDDDWLJ-CYBMUJFWSA-N 2 2 336.505 1.994 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000356231757 445689339 /nfs/dbraw/zinc/68/93/39/445689339.db2.gz RZVNQKZRGWGYIR-HNNXBMFYSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000356231757 445689342 /nfs/dbraw/zinc/68/93/42/445689342.db2.gz RZVNQKZRGWGYIR-HNNXBMFYSA-N 2 2 334.464 1.268 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1(F)CCC1 ZINC000358665886 445703115 /nfs/dbraw/zinc/70/31/15/445703115.db2.gz SWYSOEUFDFQKPU-UHFFFAOYSA-N 2 2 328.476 1.936 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC1(F)CCC1 ZINC000358665886 445703117 /nfs/dbraw/zinc/70/31/17/445703117.db2.gz SWYSOEUFDFQKPU-UHFFFAOYSA-N 2 2 328.476 1.936 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000360616683 445717766 /nfs/dbraw/zinc/71/77/66/445717766.db2.gz DOKDRNCVJYEFRP-MRXNPFEDSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000360616683 445717771 /nfs/dbraw/zinc/71/77/71/445717771.db2.gz DOKDRNCVJYEFRP-MRXNPFEDSA-N 2 2 332.448 1.336 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cccc(N)n2)([NH+]2CCCCC2)CC1 ZINC000353724925 445725555 /nfs/dbraw/zinc/72/55/55/445725555.db2.gz OEAZKXKNLRBBMX-UHFFFAOYSA-N 2 2 331.464 1.344 20 0 EDADLP Nc1nc(-n2cccn2)cc(N[C@H]2CCCN(c3cccc[nH+]3)C2)[nH+]1 ZINC000361090207 445748514 /nfs/dbraw/zinc/74/85/14/445748514.db2.gz YAISHZIXRZFJCN-ZDUSSCGKSA-N 2 2 336.403 1.720 20 0 EDADLP C[NH+](C)C1CCN(CC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000358748775 445756926 /nfs/dbraw/zinc/75/69/26/445756926.db2.gz JSZUXDZNCYAVBW-KRWDZBQOSA-N 2 2 328.464 1.510 20 0 EDADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccn(C)n1 ZINC000353946898 445822297 /nfs/dbraw/zinc/82/22/97/445822297.db2.gz JSVNAXICMZEFOP-UYTSQGDYSA-N 2 2 333.480 1.544 20 0 EDADLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccn(C)n1 ZINC000353946898 445822301 /nfs/dbraw/zinc/82/23/01/445822301.db2.gz JSVNAXICMZEFOP-UYTSQGDYSA-N 2 2 333.480 1.544 20 0 EDADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1)[NH+]1CCOCC1 ZINC000363484605 445825325 /nfs/dbraw/zinc/82/53/25/445825325.db2.gz BKZUQAHBFUDXHY-GVDBMIGSSA-N 2 2 346.475 1.523 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CC(c3nc4ccccc4s3)C2)CC1 ZINC000358814765 445789541 /nfs/dbraw/zinc/78/95/41/445789541.db2.gz IMMVEDTYKOEKMZ-UHFFFAOYSA-N 2 2 330.457 1.470 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC000350291312 445807564 /nfs/dbraw/zinc/80/75/64/445807564.db2.gz ZRTFJRYTFCOTQW-HNNXBMFYSA-N 2 2 337.468 1.398 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC000350291312 445807569 /nfs/dbraw/zinc/80/75/69/445807569.db2.gz ZRTFJRYTFCOTQW-HNNXBMFYSA-N 2 2 337.468 1.398 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000361684745 445876413 /nfs/dbraw/zinc/87/64/13/445876413.db2.gz AJJGXWKCFJRNOC-SFHVURJKSA-N 2 2 345.487 1.921 20 0 EDADLP Cc1cccc(C)c1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000361684745 445876418 /nfs/dbraw/zinc/87/64/18/445876418.db2.gz AJJGXWKCFJRNOC-SFHVURJKSA-N 2 2 345.487 1.921 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000363826212 445878670 /nfs/dbraw/zinc/87/86/70/445878670.db2.gz QQTTZEJCUANQNB-RDJZCZTQSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccn1 ZINC000363826212 445878675 /nfs/dbraw/zinc/87/86/75/445878675.db2.gz QQTTZEJCUANQNB-RDJZCZTQSA-N 2 2 345.491 1.953 20 0 EDADLP CC[C@@]1(CO)CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363881720 445880827 /nfs/dbraw/zinc/88/08/27/445880827.db2.gz COSHIXQJIVMYIN-YJBOKZPZSA-N 2 2 338.496 1.101 20 0 EDADLP CC[C@@]1(CO)CCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363881720 445880832 /nfs/dbraw/zinc/88/08/32/445880832.db2.gz COSHIXQJIVMYIN-YJBOKZPZSA-N 2 2 338.496 1.101 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)N[C@H](C)C[NH+](C)C)C1CCOCC1 ZINC000356611343 445885469 /nfs/dbraw/zinc/88/54/69/445885469.db2.gz OTXUNOVUDGXOQG-UKRRQHHQSA-N 2 2 337.468 1.620 20 0 EDADLP CCc1cnccc1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000353981958 445838754 /nfs/dbraw/zinc/83/87/54/445838754.db2.gz HMOLRZSGOWGKDU-UHFFFAOYSA-N 2 2 347.507 1.811 20 0 EDADLP CCc1cnccc1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000353981958 445838757 /nfs/dbraw/zinc/83/87/57/445838757.db2.gz HMOLRZSGOWGKDU-UHFFFAOYSA-N 2 2 347.507 1.811 20 0 EDADLP CC[C@]1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC[NH2+]C1 ZINC000363535697 445848260 /nfs/dbraw/zinc/84/82/60/445848260.db2.gz UJDRRVFWIASGBE-MJGOQNOKSA-N 2 2 331.460 1.254 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000359037342 445901243 /nfs/dbraw/zinc/90/12/43/445901243.db2.gz OFYOWBSCLPGESV-HUUCEWRRSA-N 2 2 332.510 1.290 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000359037342 445901248 /nfs/dbraw/zinc/90/12/48/445901248.db2.gz OFYOWBSCLPGESV-HUUCEWRRSA-N 2 2 332.510 1.290 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC000361763382 445923945 /nfs/dbraw/zinc/92/39/45/445923945.db2.gz HYMKNKQRFYJUKH-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC000361763382 445923951 /nfs/dbraw/zinc/92/39/51/445923951.db2.gz HYMKNKQRFYJUKH-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@H]1C ZINC000361763382 445923957 /nfs/dbraw/zinc/92/39/57/445923957.db2.gz HYMKNKQRFYJUKH-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@H]1C ZINC000361763382 445923962 /nfs/dbraw/zinc/92/39/62/445923962.db2.gz HYMKNKQRFYJUKH-CVEARBPZSA-N 2 2 340.512 1.611 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000366012493 445961665 /nfs/dbraw/zinc/96/16/65/445961665.db2.gz QZNBVCHFCFUFDG-IRXDYDNUSA-N 2 2 333.480 1.320 20 0 EDADLP CCN1CC[NH+](CCC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000366012493 445961672 /nfs/dbraw/zinc/96/16/72/445961672.db2.gz QZNBVCHFCFUFDG-IRXDYDNUSA-N 2 2 333.480 1.320 20 0 EDADLP CCCCCC[C@H](O)C[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000372988915 445962011 /nfs/dbraw/zinc/96/20/11/445962011.db2.gz FBWRNRZBOXXDMM-GBESFXJTSA-N 2 2 341.540 1.654 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000372988865 445962319 /nfs/dbraw/zinc/96/23/19/445962319.db2.gz GVEDTBUFNLQRMJ-YOEHRIQHSA-N 2 2 346.475 1.789 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000372988865 445962328 /nfs/dbraw/zinc/96/23/28/445962328.db2.gz GVEDTBUFNLQRMJ-YOEHRIQHSA-N 2 2 346.475 1.789 20 0 EDADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000373035315 445986626 /nfs/dbraw/zinc/98/66/26/445986626.db2.gz LVTVGCGHMJRSBM-UHFFFAOYSA-N 2 2 346.475 1.032 20 0 EDADLP CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000373035315 445986635 /nfs/dbraw/zinc/98/66/35/445986635.db2.gz LVTVGCGHMJRSBM-UHFFFAOYSA-N 2 2 346.475 1.032 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)C[C@@H]21 ZINC000365039421 445986957 /nfs/dbraw/zinc/98/69/57/445986957.db2.gz FJFCBGMORAQQKS-PMPSAXMXSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)C[C@@H]21 ZINC000365039421 445986961 /nfs/dbraw/zinc/98/69/61/445986961.db2.gz FJFCBGMORAQQKS-PMPSAXMXSA-N 2 2 331.464 1.358 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000582841273 325940491 /nfs/dbraw/zinc/94/04/91/325940491.db2.gz KEIAEQOPJVWMII-RDJZCZTQSA-N 2 2 342.443 1.457 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Cl)ccc3O)C2)CC1 ZINC000369255955 446024250 /nfs/dbraw/zinc/02/42/50/446024250.db2.gz NXZUUKPXXGUEPO-ZDUSSCGKSA-N 2 2 337.851 1.944 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Cl)ccc3O)C2)CC1 ZINC000369255955 446024262 /nfs/dbraw/zinc/02/42/62/446024262.db2.gz NXZUUKPXXGUEPO-ZDUSSCGKSA-N 2 2 337.851 1.944 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(C(=O)/C=C/c3ccnn3C)CC2)CC1 ZINC000369276076 446042655 /nfs/dbraw/zinc/04/26/55/446042655.db2.gz FGWNTDYIBFWDLB-SNAWJCMRSA-N 2 2 345.491 1.452 20 0 EDADLP C[N@H+](CCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)Cc1ccccc1 ZINC000366081462 446001988 /nfs/dbraw/zinc/00/19/88/446001988.db2.gz SENUZGJAKLNWDC-GOSISDBHSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@@H+](CCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)Cc1ccccc1 ZINC000366081462 446001992 /nfs/dbraw/zinc/00/19/92/446001992.db2.gz SENUZGJAKLNWDC-GOSISDBHSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)Cc1ccccc1 ZINC000366081462 446001995 /nfs/dbraw/zinc/00/19/95/446001995.db2.gz SENUZGJAKLNWDC-GOSISDBHSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+](CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)Cc1ccccc1 ZINC000366081462 446002000 /nfs/dbraw/zinc/00/20/00/446002000.db2.gz SENUZGJAKLNWDC-GOSISDBHSA-N 2 2 346.475 1.281 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000369233151 446009602 /nfs/dbraw/zinc/00/96/02/446009602.db2.gz YOHSZGYSOUXBLP-HOTGVXAUSA-N 2 2 331.464 1.916 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000369233151 446009607 /nfs/dbraw/zinc/00/96/07/446009607.db2.gz YOHSZGYSOUXBLP-HOTGVXAUSA-N 2 2 331.464 1.916 20 0 EDADLP C[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000583629528 326107635 /nfs/dbraw/zinc/10/76/35/326107635.db2.gz MRMXDYYFFGYTSE-UHFFFAOYSA-N 2 2 326.444 1.932 20 0 EDADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000356840121 446062009 /nfs/dbraw/zinc/06/20/09/446062009.db2.gz DGYLNMCAINCLMM-DLBZAZTESA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000356840121 446062015 /nfs/dbraw/zinc/06/20/15/446062015.db2.gz DGYLNMCAINCLMM-DLBZAZTESA-N 2 2 344.503 1.599 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CCO1 ZINC000584280148 326233840 /nfs/dbraw/zinc/23/38/40/326233840.db2.gz UUNBBORRIGESIQ-UHFFFAOYSA-N 2 2 348.447 1.401 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CCO1 ZINC000584280148 326233844 /nfs/dbraw/zinc/23/38/44/326233844.db2.gz UUNBBORRIGESIQ-UHFFFAOYSA-N 2 2 348.447 1.401 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[NH+]1CCOCC1 ZINC000369312026 446065698 /nfs/dbraw/zinc/06/56/98/446065698.db2.gz KEBOYDYJXWFCRQ-ZMSDIMECSA-N 2 2 348.447 1.354 20 0 EDADLP COc1cc(C)cnc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365199052 446076136 /nfs/dbraw/zinc/07/61/36/446076136.db2.gz FQOVCYYAIJFBTN-UHFFFAOYSA-N 2 2 346.475 1.687 20 0 EDADLP CC[C@@H](C(=O)NCC1(N2CC[NH+](C)CC2)CCCCCC1)[NH+](C)C ZINC000366295616 446134943 /nfs/dbraw/zinc/13/49/43/446134943.db2.gz MIMJPISLASNDQT-KRWDZBQOSA-N 2 2 338.540 1.783 20 0 EDADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(OCc2ccccc2)CC1 ZINC000359302736 446135469 /nfs/dbraw/zinc/13/54/69/446135469.db2.gz IRQGLFRJJXGKPQ-QZTJIDSGSA-N 2 2 343.471 1.345 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351488832 446089747 /nfs/dbraw/zinc/08/97/47/446089747.db2.gz GFYCVLKLUPRWQG-BHYGNILZSA-N 2 2 333.501 1.872 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351488832 446089752 /nfs/dbraw/zinc/08/97/52/446089752.db2.gz GFYCVLKLUPRWQG-BHYGNILZSA-N 2 2 333.501 1.872 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCc3ccccc3F)C2)CC1 ZINC000365258986 446106979 /nfs/dbraw/zinc/10/69/79/446106979.db2.gz ISFJYNWLTKOFDO-MRXNPFEDSA-N 2 2 348.466 1.836 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCc3ccccc3F)C2)CC1 ZINC000365258986 446106987 /nfs/dbraw/zinc/10/69/87/446106987.db2.gz ISFJYNWLTKOFDO-MRXNPFEDSA-N 2 2 348.466 1.836 20 0 EDADLP C[C@H](Cc1ccncc1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000361966256 446114322 /nfs/dbraw/zinc/11/43/22/446114322.db2.gz KSAOJSICTYECOX-QGZVFWFLSA-N 2 2 332.492 1.399 20 0 EDADLP C[C@H](Cc1ccncc1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000361966256 446114326 /nfs/dbraw/zinc/11/43/26/446114326.db2.gz KSAOJSICTYECOX-QGZVFWFLSA-N 2 2 332.492 1.399 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)no1 ZINC000369510740 446126543 /nfs/dbraw/zinc/12/65/43/446126543.db2.gz IHVOVXLSWMOPSX-CQSZACIVSA-N 2 2 329.404 2.201 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)no1 ZINC000369510740 446126551 /nfs/dbraw/zinc/12/65/51/446126551.db2.gz IHVOVXLSWMOPSX-CQSZACIVSA-N 2 2 329.404 2.201 20 0 EDADLP NC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000365381441 446178924 /nfs/dbraw/zinc/17/89/24/446178924.db2.gz UTGJFFGZTRHEGJ-HNNXBMFYSA-N 2 2 341.415 1.418 20 0 EDADLP COCCSCCC[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000365384472 446180177 /nfs/dbraw/zinc/18/01/77/446180177.db2.gz KVAFKPCRTRTTQC-IRXDYDNUSA-N 2 2 345.553 1.093 20 0 EDADLP COCCSCCC[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000365384472 446180179 /nfs/dbraw/zinc/18/01/79/446180179.db2.gz KVAFKPCRTRTTQC-IRXDYDNUSA-N 2 2 345.553 1.093 20 0 EDADLP COCCSCCC[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000365384472 446180180 /nfs/dbraw/zinc/18/01/80/446180180.db2.gz KVAFKPCRTRTTQC-IRXDYDNUSA-N 2 2 345.553 1.093 20 0 EDADLP COCCSCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000365384472 446180182 /nfs/dbraw/zinc/18/01/82/446180182.db2.gz KVAFKPCRTRTTQC-IRXDYDNUSA-N 2 2 345.553 1.093 20 0 EDADLP CN(C(=O)[C@]1([NH+](C)C)CCOc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000365320025 446144975 /nfs/dbraw/zinc/14/49/75/446144975.db2.gz MRNVAZKSZPSKEI-KXBFYZLASA-N 2 2 331.460 1.779 20 0 EDADLP CN(C(=O)[C@]1([NH+](C)C)CCOc2ccccc21)[C@H]1CCC[N@@H+](C)C1 ZINC000365320025 446144982 /nfs/dbraw/zinc/14/49/82/446144982.db2.gz MRNVAZKSZPSKEI-KXBFYZLASA-N 2 2 331.460 1.779 20 0 EDADLP C[C@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)C(C)(C)C[NH+](C)C ZINC000354372326 446154604 /nfs/dbraw/zinc/15/46/04/446154604.db2.gz MPZCGMDPELSDPT-ZDUSSCGKSA-N 2 2 345.447 1.043 20 0 EDADLP C[C@@H](NC(=O)C(=O)NCc1ccn2cc[nH+]c2c1)C(C)(C)C[NH+](C)C ZINC000354372325 446155231 /nfs/dbraw/zinc/15/52/31/446155231.db2.gz MPZCGMDPELSDPT-CYBMUJFWSA-N 2 2 345.447 1.043 20 0 EDADLP CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369789975 446156070 /nfs/dbraw/zinc/15/60/70/446156070.db2.gz JYNMFNOUSLZVHS-USXIJHARSA-N 2 2 338.496 1.412 20 0 EDADLP CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369789975 446156077 /nfs/dbraw/zinc/15/60/77/446156077.db2.gz JYNMFNOUSLZVHS-USXIJHARSA-N 2 2 338.496 1.412 20 0 EDADLP COCC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[NH2+]C1 ZINC000366331845 446157276 /nfs/dbraw/zinc/15/72/76/446157276.db2.gz XSSKJXHZEOYJTK-IBGZPJMESA-N 2 2 347.459 1.474 20 0 EDADLP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000362091489 446206001 /nfs/dbraw/zinc/20/60/01/446206001.db2.gz VKOGMHZTRASOBF-LJQANCHMSA-N 2 2 349.475 1.728 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)N2CCn3c(C)c(C)[nH+]c3C2)CC1 ZINC000365452950 446213645 /nfs/dbraw/zinc/21/36/45/446213645.db2.gz GFQOENABTSZNII-UHFFFAOYSA-N 2 2 349.479 1.526 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365481872 446226259 /nfs/dbraw/zinc/22/62/59/446226259.db2.gz SVBGIOPWQBMPHG-UHFFFAOYSA-N 2 2 337.468 1.329 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365481872 446226262 /nfs/dbraw/zinc/22/62/62/446226262.db2.gz SVBGIOPWQBMPHG-UHFFFAOYSA-N 2 2 337.468 1.329 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000373572127 446266324 /nfs/dbraw/zinc/26/63/24/446266324.db2.gz IQRDOVUVJCCFKQ-UONOGXRCSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000373572127 446266327 /nfs/dbraw/zinc/26/63/27/446266327.db2.gz IQRDOVUVJCCFKQ-UONOGXRCSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000373572127 446266330 /nfs/dbraw/zinc/26/63/30/446266330.db2.gz IQRDOVUVJCCFKQ-UONOGXRCSA-N 2 2 337.489 1.020 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)[C@@H](C)C1 ZINC000373572127 446266335 /nfs/dbraw/zinc/26/63/35/446266335.db2.gz IQRDOVUVJCCFKQ-UONOGXRCSA-N 2 2 337.489 1.020 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@@H+]1CCCOCC1)C2 ZINC000373689560 446304882 /nfs/dbraw/zinc/30/48/82/446304882.db2.gz IGLLNMAWRPLKKM-AWEZNQCLSA-N 2 2 334.464 1.477 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@H+]1CCCOCC1)C2 ZINC000373689560 446304884 /nfs/dbraw/zinc/30/48/84/446304884.db2.gz IGLLNMAWRPLKKM-AWEZNQCLSA-N 2 2 334.464 1.477 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)CC2 ZINC000373689560 446304890 /nfs/dbraw/zinc/30/48/90/446304890.db2.gz IGLLNMAWRPLKKM-AWEZNQCLSA-N 2 2 334.464 1.477 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@H+]1CCCOCC1)CC2 ZINC000373689560 446304893 /nfs/dbraw/zinc/30/48/93/446304893.db2.gz IGLLNMAWRPLKKM-AWEZNQCLSA-N 2 2 334.464 1.477 20 0 EDADLP COc1cc[nH+]c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1OC ZINC000373698378 446306656 /nfs/dbraw/zinc/30/66/56/446306656.db2.gz UFPIDLUCRAOOGZ-HNNXBMFYSA-N 2 2 334.464 1.311 20 0 EDADLP COc1cc[nH+]c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1OC ZINC000373698378 446306663 /nfs/dbraw/zinc/30/66/63/446306663.db2.gz UFPIDLUCRAOOGZ-HNNXBMFYSA-N 2 2 334.464 1.311 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373715192 446311488 /nfs/dbraw/zinc/31/14/88/446311488.db2.gz SDCKNNFSQHHCKF-KRWDZBQOSA-N 2 2 334.464 1.683 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373715192 446311493 /nfs/dbraw/zinc/31/14/93/446311493.db2.gz SDCKNNFSQHHCKF-KRWDZBQOSA-N 2 2 334.464 1.683 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370645543 446370913 /nfs/dbraw/zinc/37/09/13/446370913.db2.gz XJYCOIBVIMTDEX-BBWFWOEESA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000366826765 446371539 /nfs/dbraw/zinc/37/15/39/446371539.db2.gz NKDDDHVXBYBGNJ-GOSISDBHSA-N 2 2 347.459 1.567 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000366826765 446371543 /nfs/dbraw/zinc/37/15/43/446371543.db2.gz NKDDDHVXBYBGNJ-GOSISDBHSA-N 2 2 347.459 1.567 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417959612 446400379 /nfs/dbraw/zinc/40/03/79/446400379.db2.gz WQJGZQXYFQQFPV-HUUCEWRRSA-N 2 2 326.391 1.619 20 0 EDADLP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417959612 446400383 /nfs/dbraw/zinc/40/03/83/446400383.db2.gz WQJGZQXYFQQFPV-HUUCEWRRSA-N 2 2 326.391 1.619 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000370695828 446391030 /nfs/dbraw/zinc/39/10/30/446391030.db2.gz DFSYGGZKKZBLQU-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000370695828 446391034 /nfs/dbraw/zinc/39/10/34/446391034.db2.gz DFSYGGZKKZBLQU-INIZCTEOSA-N 2 2 339.480 1.204 20 0 EDADLP CCn1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000417939602 446392012 /nfs/dbraw/zinc/39/20/12/446392012.db2.gz KFGMKBTTYJGMQV-IEBWSBKVSA-N 2 2 328.460 1.876 20 0 EDADLP CCn1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000417939602 446392015 /nfs/dbraw/zinc/39/20/15/446392015.db2.gz KFGMKBTTYJGMQV-IEBWSBKVSA-N 2 2 328.460 1.876 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951676 446396660 /nfs/dbraw/zinc/39/66/60/446396660.db2.gz YZVZRFABHKTTAF-QCZZGDTMSA-N 2 2 328.819 1.871 20 0 EDADLP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951676 446396666 /nfs/dbraw/zinc/39/66/66/446396666.db2.gz YZVZRFABHKTTAF-QCZZGDTMSA-N 2 2 328.819 1.871 20 0 EDADLP Cc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(N2CCCC2)n1 ZINC000423123837 446431183 /nfs/dbraw/zinc/43/11/83/446431183.db2.gz NNSPWLPWOQFRFM-MJGOQNOKSA-N 2 2 330.476 1.847 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000374911183 446452074 /nfs/dbraw/zinc/45/20/74/446452074.db2.gz IQOBERCSGYNXEX-LSDHHAIUSA-N 2 2 340.493 1.364 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000374911183 446452079 /nfs/dbraw/zinc/45/20/79/446452079.db2.gz IQOBERCSGYNXEX-LSDHHAIUSA-N 2 2 340.493 1.364 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000418041692 446423563 /nfs/dbraw/zinc/42/35/63/446423563.db2.gz AVKJBCXBXCODHA-MRXNPFEDSA-N 2 2 338.883 1.981 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000418041692 446423565 /nfs/dbraw/zinc/42/35/65/446423565.db2.gz AVKJBCXBXCODHA-MRXNPFEDSA-N 2 2 338.883 1.981 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000366957006 446426670 /nfs/dbraw/zinc/42/66/70/446426670.db2.gz XZSPLRXVZXLAER-INIZCTEOSA-N 2 2 347.507 1.324 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000366957006 446426674 /nfs/dbraw/zinc/42/66/74/446426674.db2.gz XZSPLRXVZXLAER-INIZCTEOSA-N 2 2 347.507 1.324 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)n2)c(OC)c1 ZINC000420292749 446456653 /nfs/dbraw/zinc/45/66/53/446456653.db2.gz PXGIOTWSFOPIID-BXUZGUMPSA-N 2 2 332.404 1.923 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)n2)c(OC)c1 ZINC000420292749 446456660 /nfs/dbraw/zinc/45/66/60/446456660.db2.gz PXGIOTWSFOPIID-BXUZGUMPSA-N 2 2 332.404 1.923 20 0 EDADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423236458 446460545 /nfs/dbraw/zinc/46/05/45/446460545.db2.gz HFAFSSDPVCEWTR-DYVFJYSZSA-N 2 2 333.457 1.945 20 0 EDADLP CC(C)(C)C(=O)N1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420300496 446463664 /nfs/dbraw/zinc/46/36/64/446463664.db2.gz HRGCSDAKAUTZFW-IRXDYDNUSA-N 2 2 333.476 1.108 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)n2)c(OC)c1 ZINC000420301916 446463729 /nfs/dbraw/zinc/46/37/29/446463729.db2.gz FJYGXXSSLYKPRL-RYUDHWBXSA-N 2 2 332.404 1.923 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)n2)c(OC)c1 ZINC000420301916 446463734 /nfs/dbraw/zinc/46/37/34/446463734.db2.gz FJYGXXSSLYKPRL-RYUDHWBXSA-N 2 2 332.404 1.923 20 0 EDADLP CNS(=O)(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000370830955 446465655 /nfs/dbraw/zinc/46/56/55/446465655.db2.gz QRYXVUOAOMTSHR-UHFFFAOYSA-N 2 2 334.445 1.386 20 0 EDADLP CCc1nnsc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831428 446466799 /nfs/dbraw/zinc/46/67/99/446466799.db2.gz UWXGSRBZZIOVPP-ZDUSSCGKSA-N 2 2 337.493 1.341 20 0 EDADLP CCc1nnsc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831428 446466807 /nfs/dbraw/zinc/46/68/07/446466807.db2.gz UWXGSRBZZIOVPP-ZDUSSCGKSA-N 2 2 337.493 1.341 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420304785 446468303 /nfs/dbraw/zinc/46/83/03/446468303.db2.gz JBBFXEQAJKKQAD-IFXJQAMLSA-N 2 2 345.443 1.163 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420304785 446468308 /nfs/dbraw/zinc/46/83/08/446468308.db2.gz JBBFXEQAJKKQAD-IFXJQAMLSA-N 2 2 345.443 1.163 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000420311860 446476379 /nfs/dbraw/zinc/47/63/79/446476379.db2.gz IBUACZPCYTYWEU-CVEARBPZSA-N 2 2 345.443 1.124 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000420311860 446476387 /nfs/dbraw/zinc/47/63/87/446476387.db2.gz IBUACZPCYTYWEU-CVEARBPZSA-N 2 2 345.443 1.124 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314385 446480122 /nfs/dbraw/zinc/48/01/22/446480122.db2.gz VSWFSJHRKWYEQF-HKUYNNGSSA-N 3 2 330.476 1.091 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314385 446480126 /nfs/dbraw/zinc/48/01/26/446480126.db2.gz VSWFSJHRKWYEQF-HKUYNNGSSA-N 3 2 330.476 1.091 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420316108 446482142 /nfs/dbraw/zinc/48/21/42/446482142.db2.gz XSUPCRXUTMNNJU-UAGQMJEPSA-N 2 2 345.443 1.252 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420316108 446482146 /nfs/dbraw/zinc/48/21/46/446482146.db2.gz XSUPCRXUTMNNJU-UAGQMJEPSA-N 2 2 345.443 1.252 20 0 EDADLP COc1ccc(-c2noc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)n2)c(OC)c1 ZINC000420320247 446485447 /nfs/dbraw/zinc/48/54/47/446485447.db2.gz PYCPKBYTRGNDGE-NEPJUHHUSA-N 2 2 332.404 1.923 20 0 EDADLP COc1ccc(-c2noc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)n2)c(OC)c1 ZINC000420320247 446485460 /nfs/dbraw/zinc/48/54/60/446485460.db2.gz PYCPKBYTRGNDGE-NEPJUHHUSA-N 2 2 332.404 1.923 20 0 EDADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423333720 446492843 /nfs/dbraw/zinc/49/28/43/446492843.db2.gz OGCUBMDKWMEHLX-KBAYOESNSA-N 2 2 329.448 1.801 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418304177 446493117 /nfs/dbraw/zinc/49/31/17/446493117.db2.gz XIOXFEPWROLPSO-MRXNPFEDSA-N 2 2 348.495 1.435 20 0 EDADLP COC[C@@]1(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000423387639 446511294 /nfs/dbraw/zinc/51/12/94/446511294.db2.gz SSEGDIRXMUVKEX-HNAYVOBHSA-N 2 2 347.459 1.644 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420389966 446565641 /nfs/dbraw/zinc/56/56/41/446565641.db2.gz MVSAFMQFSQFTEK-KRWDZBQOSA-N 2 2 335.448 1.093 20 0 EDADLP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420389966 446565647 /nfs/dbraw/zinc/56/56/47/446565647.db2.gz MVSAFMQFSQFTEK-KRWDZBQOSA-N 2 2 335.448 1.093 20 0 EDADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420351689 446529187 /nfs/dbraw/zinc/52/91/87/446529187.db2.gz KPSDEGVIZQIYPC-RDJZCZTQSA-N 2 2 335.448 1.000 20 0 EDADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420351689 446529191 /nfs/dbraw/zinc/52/91/91/446529191.db2.gz KPSDEGVIZQIYPC-RDJZCZTQSA-N 2 2 335.448 1.000 20 0 EDADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359761 446539469 /nfs/dbraw/zinc/53/94/69/446539469.db2.gz WBIIZSOYCSMCRQ-MAUKXSAKSA-N 2 2 341.455 1.532 20 0 EDADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359761 446539474 /nfs/dbraw/zinc/53/94/74/446539474.db2.gz WBIIZSOYCSMCRQ-MAUKXSAKSA-N 2 2 341.455 1.532 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000420362822 446542632 /nfs/dbraw/zinc/54/26/32/446542632.db2.gz IYVGPCQKNJCBRS-IIYDPXPESA-N 2 2 339.867 1.811 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420363834 446544207 /nfs/dbraw/zinc/54/42/07/446544207.db2.gz OFIZMKWNNIZBSU-SFHVURJKSA-N 3 2 346.519 1.862 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(-c2ccccc2)nn1C ZINC000453104009 446544849 /nfs/dbraw/zinc/54/48/49/446544849.db2.gz BVQAUZUGKQESGT-RDJZCZTQSA-N 2 2 327.476 1.984 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375050264 446544956 /nfs/dbraw/zinc/54/49/56/446544956.db2.gz HQJBKTWYOZBMSU-FGTMMUONSA-N 2 2 345.491 1.151 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375050264 446544958 /nfs/dbraw/zinc/54/49/58/446544958.db2.gz HQJBKTWYOZBMSU-FGTMMUONSA-N 2 2 345.491 1.151 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423468957 446548438 /nfs/dbraw/zinc/54/84/38/446548438.db2.gz KBGKJIUEDOEFMQ-KSSFIOAISA-N 2 2 347.463 1.154 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000453170499 446549387 /nfs/dbraw/zinc/54/93/87/446549387.db2.gz GPCYTVFJEITPBP-ATZDWAIDSA-N 2 2 326.444 1.633 20 0 EDADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000453170499 446549391 /nfs/dbraw/zinc/54/93/91/446549391.db2.gz GPCYTVFJEITPBP-ATZDWAIDSA-N 2 2 326.444 1.633 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000420369159 446549524 /nfs/dbraw/zinc/54/95/24/446549524.db2.gz OCBWJJHXXUWVEI-VFVRVIDISA-N 2 2 344.459 1.493 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000420373893 446550821 /nfs/dbraw/zinc/55/08/21/446550821.db2.gz RLHOMJJUOZDQFJ-MRXNPFEDSA-N 2 2 333.432 1.909 20 0 EDADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423498363 446555425 /nfs/dbraw/zinc/55/54/25/446555425.db2.gz BQUBCRLZSMECSM-WMZOPIPTSA-N 2 2 325.460 1.743 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420379716 446557427 /nfs/dbraw/zinc/55/74/27/446557427.db2.gz YAEOLLNKNFINLW-OGHNNQOOSA-N 2 2 332.448 1.351 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433901080 446610794 /nfs/dbraw/zinc/61/07/94/446610794.db2.gz MNNKMEYTMAPJDV-UHFFFAOYSA-N 2 2 335.452 1.136 20 0 EDADLP C[NH+](C)CC[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000367666341 446571298 /nfs/dbraw/zinc/57/12/98/446571298.db2.gz MOYGWKXBDSKTMB-LSDHHAIUSA-N 2 2 327.469 1.552 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C[C@@H]1C[NH3+] ZINC000420410135 446582658 /nfs/dbraw/zinc/58/26/58/446582658.db2.gz RBPWRRCUNBMTGO-KGLIPLIRSA-N 2 2 347.488 1.848 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C[C@@H]1C[NH3+] ZINC000420410135 446582662 /nfs/dbraw/zinc/58/26/62/446582662.db2.gz RBPWRRCUNBMTGO-KGLIPLIRSA-N 2 2 347.488 1.848 20 0 EDADLP C[N@@H+]1CCO[C@H]([C@@H](NC[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC000423580102 446586274 /nfs/dbraw/zinc/58/62/74/446586274.db2.gz XGHMVNNIQULNBQ-ULQDDVLXSA-N 2 2 339.867 1.290 20 0 EDADLP C[N@H+]1CCO[C@H]([C@@H](NC[C@@H]2C[NH2+]CCO2)c2ccc(Cl)cc2)C1 ZINC000423580102 446586281 /nfs/dbraw/zinc/58/62/81/446586281.db2.gz XGHMVNNIQULNBQ-ULQDDVLXSA-N 2 2 339.867 1.290 20 0 EDADLP C[C@@H]1CC[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420414074 446587894 /nfs/dbraw/zinc/58/78/94/446587894.db2.gz UHJKFRPLGJMNHJ-KGLIPLIRSA-N 2 2 326.462 1.386 20 0 EDADLP C[C@@H]1CC[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420414074 446587901 /nfs/dbraw/zinc/58/79/01/446587901.db2.gz UHJKFRPLGJMNHJ-KGLIPLIRSA-N 2 2 326.462 1.386 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418573393 446600513 /nfs/dbraw/zinc/60/05/13/446600513.db2.gz FOQACRCPHIGANL-SJORKVTESA-N 2 2 346.475 1.792 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423686462 446640493 /nfs/dbraw/zinc/64/04/93/446640493.db2.gz ZCOQXNQAWHIPPB-RTBURBONSA-N 2 2 343.471 1.491 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423686462 446640501 /nfs/dbraw/zinc/64/05/01/446640501.db2.gz ZCOQXNQAWHIPPB-RTBURBONSA-N 2 2 343.471 1.491 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000418702657 446654921 /nfs/dbraw/zinc/65/49/21/446654921.db2.gz HEXHRVQJRFZPJU-JHNDHUHGSA-N 2 2 334.464 1.435 20 0 EDADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000418702657 446654927 /nfs/dbraw/zinc/65/49/27/446654927.db2.gz HEXHRVQJRFZPJU-JHNDHUHGSA-N 2 2 334.464 1.435 20 0 EDADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376715118 446671367 /nfs/dbraw/zinc/67/13/67/446671367.db2.gz JJAKBWJNVXDALD-CVEARBPZSA-N 2 2 328.460 1.899 20 0 EDADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000376715118 446671376 /nfs/dbraw/zinc/67/13/76/446671376.db2.gz JJAKBWJNVXDALD-CVEARBPZSA-N 2 2 328.460 1.899 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411636194 446631109 /nfs/dbraw/zinc/63/11/09/446631109.db2.gz XGUXTMDDQVEMJR-ZDUSSCGKSA-N 2 2 346.483 1.752 20 0 EDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411636194 446631111 /nfs/dbraw/zinc/63/11/11/446631111.db2.gz XGUXTMDDQVEMJR-ZDUSSCGKSA-N 2 2 346.483 1.752 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418652860 446633680 /nfs/dbraw/zinc/63/36/80/446633680.db2.gz NONFVJYXHKZWTA-YJBOKZPZSA-N 2 2 348.491 1.611 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000368186698 446693624 /nfs/dbraw/zinc/69/36/24/446693624.db2.gz AEZDPTYLKRQTBL-WBVHZDCISA-N 2 2 343.475 1.786 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000368186698 446693630 /nfs/dbraw/zinc/69/36/30/446693630.db2.gz AEZDPTYLKRQTBL-WBVHZDCISA-N 2 2 343.475 1.786 20 0 EDADLP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000423814000 446704337 /nfs/dbraw/zinc/70/43/37/446704337.db2.gz GBJYGGZRXOQNRO-JSGCOSHPSA-N 2 2 339.461 1.234 20 0 EDADLP CN(C(=O)NCC[NH+]1CCOC(C)(C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376769131 446707946 /nfs/dbraw/zinc/70/79/46/446707946.db2.gz VLYBUHNAKNGVRJ-XYPWUTKMSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)NCC[NH+]1CCOC(C)(C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376769131 446707952 /nfs/dbraw/zinc/70/79/52/446707952.db2.gz VLYBUHNAKNGVRJ-XYPWUTKMSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376769131 446707958 /nfs/dbraw/zinc/70/79/58/446707958.db2.gz VLYBUHNAKNGVRJ-XYPWUTKMSA-N 2 2 338.496 1.364 20 0 EDADLP CN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376769131 446707964 /nfs/dbraw/zinc/70/79/64/446707964.db2.gz VLYBUHNAKNGVRJ-XYPWUTKMSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423822041 446711934 /nfs/dbraw/zinc/71/19/34/446711934.db2.gz IGPKGJMGIMARJR-MEYUZBJRSA-N 2 2 337.851 1.578 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423822041 446711938 /nfs/dbraw/zinc/71/19/38/446711938.db2.gz IGPKGJMGIMARJR-MEYUZBJRSA-N 2 2 337.851 1.578 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000368217757 446714551 /nfs/dbraw/zinc/71/45/51/446714551.db2.gz ZZRLGBFPEXTFOW-HNNXBMFYSA-N 2 2 325.416 1.813 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423836462 446724607 /nfs/dbraw/zinc/72/46/07/446724607.db2.gz WKRHIYBWISQZDA-KAOXEZKKSA-N 2 2 341.814 1.063 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423836462 446724615 /nfs/dbraw/zinc/72/46/15/446724615.db2.gz WKRHIYBWISQZDA-KAOXEZKKSA-N 2 2 341.814 1.063 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418766036 446684483 /nfs/dbraw/zinc/68/44/83/446684483.db2.gz OZZPAQGCKOMMPK-HZSPNIEDSA-N 2 2 330.423 1.499 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)C[C@H]1C ZINC000423891496 446746433 /nfs/dbraw/zinc/74/64/33/446746433.db2.gz JGIQHRDGWGHOSG-PBHICJAKSA-N 2 2 333.432 1.091 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)C[C@H]1C ZINC000423891496 446746438 /nfs/dbraw/zinc/74/64/38/446746438.db2.gz JGIQHRDGWGHOSG-PBHICJAKSA-N 2 2 333.432 1.091 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccn(C)n3)C2)CC1 ZINC000368274728 446752352 /nfs/dbraw/zinc/75/23/52/446752352.db2.gz UQHHAQSAANPAKW-MRXNPFEDSA-N 2 2 349.479 1.006 20 0 EDADLP [NH3+]C1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCOCC1 ZINC000423907274 446757200 /nfs/dbraw/zinc/75/72/00/446757200.db2.gz AYTRQSJVNOXUNX-UHFFFAOYSA-N 2 2 337.851 1.322 20 0 EDADLP [NH3+]C1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCOCC1 ZINC000423907274 446757205 /nfs/dbraw/zinc/75/72/05/446757205.db2.gz AYTRQSJVNOXUNX-UHFFFAOYSA-N 2 2 337.851 1.322 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCN(c3cnn(C)c3)C2)CC1 ZINC000368288078 446761891 /nfs/dbraw/zinc/76/18/91/446761891.db2.gz KWCIZYQSQHIWFK-INIZCTEOSA-N 2 2 349.479 1.006 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000423919507 446768823 /nfs/dbraw/zinc/76/88/23/446768823.db2.gz FKPIPEOHXBRHKO-MELADBBJSA-N 2 2 340.468 1.574 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000423919507 446768827 /nfs/dbraw/zinc/76/88/27/446768827.db2.gz FKPIPEOHXBRHKO-MELADBBJSA-N 2 2 340.468 1.574 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423923835 446773615 /nfs/dbraw/zinc/77/36/15/446773615.db2.gz CSEGYPOXXGNNNI-JKSUJKDBSA-N 2 2 346.475 1.892 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1scnc1C ZINC000423924797 446774999 /nfs/dbraw/zinc/77/49/99/446774999.db2.gz MNIPCDYFEPYJET-UBHSHLNASA-N 2 2 342.484 1.678 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1scnc1C ZINC000423924797 446775004 /nfs/dbraw/zinc/77/50/04/446775004.db2.gz MNIPCDYFEPYJET-UBHSHLNASA-N 2 2 342.484 1.678 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCc3csc(C)n3)CC2)C1 ZINC000371326905 446776457 /nfs/dbraw/zinc/77/64/57/446776457.db2.gz ROYFYFHAPYEWCW-KRWDZBQOSA-N 2 2 338.521 1.332 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCc3csc(C)n3)CC2)C1 ZINC000371326905 446776463 /nfs/dbraw/zinc/77/64/63/446776463.db2.gz ROYFYFHAPYEWCW-KRWDZBQOSA-N 2 2 338.521 1.332 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000423927961 446778720 /nfs/dbraw/zinc/77/87/20/446778720.db2.gz GOALZVIZDGHFBN-LNLFQRSKSA-N 2 2 331.460 1.516 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000423927961 446778726 /nfs/dbraw/zinc/77/87/26/446778726.db2.gz GOALZVIZDGHFBN-LNLFQRSKSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(-n2ccnn2)c1 ZINC000376900430 446786749 /nfs/dbraw/zinc/78/67/49/446786749.db2.gz ZTNKJKINTQYLCD-WBAXXEDZSA-N 2 2 327.432 1.781 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(-n2ccnn2)c1 ZINC000376900430 446786755 /nfs/dbraw/zinc/78/67/55/446786755.db2.gz ZTNKJKINTQYLCD-WBAXXEDZSA-N 2 2 327.432 1.781 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000371337768 446787264 /nfs/dbraw/zinc/78/72/64/446787264.db2.gz WEUFDKDHSIXKSN-MJGOQNOKSA-N 2 2 344.503 1.891 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000371337768 446787268 /nfs/dbraw/zinc/78/72/68/446787268.db2.gz WEUFDKDHSIXKSN-MJGOQNOKSA-N 2 2 344.503 1.891 20 0 EDADLP CC(C)N1CC[NH+](C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000371340253 446788745 /nfs/dbraw/zinc/78/87/45/446788745.db2.gz CORGNEUAAXLKSX-UHFFFAOYSA-N 2 2 333.480 1.290 20 0 EDADLP CC(C)[NH+]1CCN(C2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000371340253 446788753 /nfs/dbraw/zinc/78/87/53/446788753.db2.gz CORGNEUAAXLKSX-UHFFFAOYSA-N 2 2 333.480 1.290 20 0 EDADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368258418 446743682 /nfs/dbraw/zinc/74/36/82/446743682.db2.gz GWUOKKWBFVRFEM-QGZVFWFLSA-N 3 2 344.503 1.647 20 0 EDADLP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368258418 446743687 /nfs/dbraw/zinc/74/36/87/446743687.db2.gz GWUOKKWBFVRFEM-QGZVFWFLSA-N 3 2 344.503 1.647 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cnn4ccccc34)CC2)C1 ZINC000371377481 446816047 /nfs/dbraw/zinc/81/60/47/446816047.db2.gz DBWVRZLAUAVUIS-SFHVURJKSA-N 2 2 343.475 1.173 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cnn4ccccc34)CC2)C1 ZINC000371377481 446816052 /nfs/dbraw/zinc/81/60/52/446816052.db2.gz DBWVRZLAUAVUIS-SFHVURJKSA-N 2 2 343.475 1.173 20 0 EDADLP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000454242569 446822841 /nfs/dbraw/zinc/82/28/41/446822841.db2.gz GXWGDKPRHBRDPO-INIZCTEOSA-N 2 2 326.485 1.272 20 0 EDADLP C[C@H]1CN(C(=O)c2cnn(CCF)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376990349 446844661 /nfs/dbraw/zinc/84/46/61/446844661.db2.gz CUGCXQYUTCAEQE-AWEZNQCLSA-N 2 2 337.443 1.093 20 0 EDADLP C[C@H]1CN(C(=O)c2cnn(CCF)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376990349 446844667 /nfs/dbraw/zinc/84/46/67/446844667.db2.gz CUGCXQYUTCAEQE-AWEZNQCLSA-N 2 2 337.443 1.093 20 0 EDADLP CCCCCNC(=O)[C@@H](C)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371425001 446846552 /nfs/dbraw/zinc/84/65/52/446846552.db2.gz QSXADLKBLFBKFR-AEFFLSMTSA-N 2 2 338.540 1.782 20 0 EDADLP CCCCCNC(=O)[C@@H](C)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371425001 446846558 /nfs/dbraw/zinc/84/65/58/446846558.db2.gz QSXADLKBLFBKFR-AEFFLSMTSA-N 2 2 338.540 1.782 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)CC2 ZINC000423981496 446804950 /nfs/dbraw/zinc/80/49/50/446804950.db2.gz XFJKMVJPXPCZBX-KRWDZBQOSA-N 2 2 349.475 1.552 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)CC2 ZINC000423981496 446804956 /nfs/dbraw/zinc/80/49/56/446804956.db2.gz XFJKMVJPXPCZBX-KRWDZBQOSA-N 2 2 349.475 1.552 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000424340228 446867357 /nfs/dbraw/zinc/86/73/57/446867357.db2.gz XJLFDXVSVHSZEW-ZACQAIPSSA-N 2 2 335.423 1.585 20 0 EDADLP C[N@H+](CCN1CCOCC1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420908607 446882647 /nfs/dbraw/zinc/88/26/47/446882647.db2.gz XIDNZQOWBXXACW-UHFFFAOYSA-N 2 2 333.476 1.283 20 0 EDADLP C[N@@H+](CCN1CCOCC1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420908607 446882655 /nfs/dbraw/zinc/88/26/55/446882655.db2.gz XIDNZQOWBXXACW-UHFFFAOYSA-N 2 2 333.476 1.283 20 0 EDADLP NC(=O)C[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420910031 446883721 /nfs/dbraw/zinc/88/37/21/446883721.db2.gz DGSVKCGOLUFKNV-GOSISDBHSA-N 2 2 331.460 1.606 20 0 EDADLP NC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420910031 446883727 /nfs/dbraw/zinc/88/37/27/446883727.db2.gz DGSVKCGOLUFKNV-GOSISDBHSA-N 2 2 331.460 1.606 20 0 EDADLP O=C1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@H]2N1 ZINC000420937089 446909891 /nfs/dbraw/zinc/90/98/91/446909891.db2.gz NFHJKMFEXPIZMK-MOPGFXCFSA-N 2 2 343.471 1.762 20 0 EDADLP O=C1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@H]2N1 ZINC000420937089 446909895 /nfs/dbraw/zinc/90/98/95/446909895.db2.gz NFHJKMFEXPIZMK-MOPGFXCFSA-N 2 2 343.471 1.762 20 0 EDADLP C[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420952485 446923727 /nfs/dbraw/zinc/92/37/27/446923727.db2.gz XYNVQOYUKZOHKK-IEBWSBKVSA-N 2 2 345.487 1.281 20 0 EDADLP C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000420952485 446923732 /nfs/dbraw/zinc/92/37/32/446923732.db2.gz XYNVQOYUKZOHKK-IEBWSBKVSA-N 2 2 345.487 1.281 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000368536046 446929076 /nfs/dbraw/zinc/92/90/76/446929076.db2.gz CRONVRWENRRFMT-SUMDDJOVSA-N 2 2 349.450 1.172 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](F)(CO)C1 ZINC000368536046 446929083 /nfs/dbraw/zinc/92/90/83/446929083.db2.gz CRONVRWENRRFMT-SUMDDJOVSA-N 2 2 349.450 1.172 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@](F)(CO)C1 ZINC000368536046 446929087 /nfs/dbraw/zinc/92/90/87/446929087.db2.gz CRONVRWENRRFMT-SUMDDJOVSA-N 2 2 349.450 1.172 20 0 EDADLP CN1CCO[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000420960022 446931062 /nfs/dbraw/zinc/93/10/62/446931062.db2.gz GEULZTCWOALOKT-RBUKOAKNSA-N 2 2 331.460 1.034 20 0 EDADLP CN1CCO[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000420960022 446931066 /nfs/dbraw/zinc/93/10/66/446931066.db2.gz GEULZTCWOALOKT-RBUKOAKNSA-N 2 2 331.460 1.034 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(OC)cc1Cl ZINC000442766442 446957196 /nfs/dbraw/zinc/95/71/96/446957196.db2.gz JYXPIMAAKTVHDV-QWRGUYRKSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(OC)cc1Cl ZINC000442766442 446957201 /nfs/dbraw/zinc/95/72/01/446957201.db2.gz JYXPIMAAKTVHDV-QWRGUYRKSA-N 2 2 341.839 1.965 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000442767186 446959834 /nfs/dbraw/zinc/95/98/34/446959834.db2.gz YAOCDWKITMHGTP-GOEBONIOSA-N 3 2 336.505 1.061 20 0 EDADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000442767186 446959843 /nfs/dbraw/zinc/95/98/43/446959843.db2.gz YAOCDWKITMHGTP-GOEBONIOSA-N 3 2 336.505 1.061 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)c[nH+]1 ZINC000413116049 447011559 /nfs/dbraw/zinc/01/15/59/447011559.db2.gz ZFYPXNOWMCQBAC-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CCc1cnccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377252319 447020908 /nfs/dbraw/zinc/02/09/08/447020908.db2.gz AVOHVMSEYMOFRG-OAHLLOKOSA-N 2 2 330.476 1.885 20 0 EDADLP CCc1cnccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000377252319 447020915 /nfs/dbraw/zinc/02/09/15/447020915.db2.gz AVOHVMSEYMOFRG-OAHLLOKOSA-N 2 2 330.476 1.885 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)C[N@@H+]1C1CC1 ZINC000371891050 446973704 /nfs/dbraw/zinc/97/37/04/446973704.db2.gz BOMUASQCSBIOLF-CVEARBPZSA-N 2 2 334.508 1.288 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)C[N@H+]1C1CC1 ZINC000371891050 446973706 /nfs/dbraw/zinc/97/37/06/446973706.db2.gz BOMUASQCSBIOLF-CVEARBPZSA-N 2 2 334.508 1.288 20 0 EDADLP CN(C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454868053 446990361 /nfs/dbraw/zinc/99/03/61/446990361.db2.gz DOIGGVQAJOJMPU-OWCLPIDISA-N 2 2 338.496 1.221 20 0 EDADLP CN(C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454868053 446990378 /nfs/dbraw/zinc/99/03/78/446990378.db2.gz DOIGGVQAJOJMPU-OWCLPIDISA-N 2 2 338.496 1.221 20 0 EDADLP CN(C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454868053 446990385 /nfs/dbraw/zinc/99/03/85/446990385.db2.gz DOIGGVQAJOJMPU-OWCLPIDISA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]23CCOC3)CC1 ZINC000421020839 446993065 /nfs/dbraw/zinc/99/30/65/446993065.db2.gz NXJZEYAZQWWBBP-FXAWDEMLSA-N 2 2 343.471 1.757 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@]23CCOC3)CC1 ZINC000421020839 446993073 /nfs/dbraw/zinc/99/30/73/446993073.db2.gz NXJZEYAZQWWBBP-FXAWDEMLSA-N 2 2 343.471 1.757 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000375714382 446995181 /nfs/dbraw/zinc/99/51/81/446995181.db2.gz MJGDQCMVCUZATJ-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP COC(=O)[C@@H](CC(C)C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000375714382 446995187 /nfs/dbraw/zinc/99/51/87/446995187.db2.gz MJGDQCMVCUZATJ-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000377214393 446998114 /nfs/dbraw/zinc/99/81/14/446998114.db2.gz URVKWLMQNYHDQW-KRWDZBQOSA-N 2 2 332.448 1.148 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000377214393 446998118 /nfs/dbraw/zinc/99/81/18/446998118.db2.gz URVKWLMQNYHDQW-KRWDZBQOSA-N 2 2 332.448 1.148 20 0 EDADLP Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000372352922 447045133 /nfs/dbraw/zinc/04/51/33/447045133.db2.gz AQIHEWJFDINXLA-QFBILLFUSA-N 2 2 332.492 1.535 20 0 EDADLP Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000372352922 447045137 /nfs/dbraw/zinc/04/51/37/447045137.db2.gz AQIHEWJFDINXLA-QFBILLFUSA-N 2 2 332.492 1.535 20 0 EDADLP Cc1ccc(C[N@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000372352922 447045141 /nfs/dbraw/zinc/04/51/41/447045141.db2.gz AQIHEWJFDINXLA-QFBILLFUSA-N 2 2 332.492 1.535 20 0 EDADLP Cc1ccc(C[N@@H+]2CCN(C[C@H]3C[NH+](C)CCO3)C[C@@H]2C)c(C)n1 ZINC000372352922 447045147 /nfs/dbraw/zinc/04/51/47/447045147.db2.gz AQIHEWJFDINXLA-QFBILLFUSA-N 2 2 332.492 1.535 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N(CC(C)(C)O)C3CC3)C2)CC1 ZINC000368726282 447069878 /nfs/dbraw/zinc/06/98/78/447069878.db2.gz FCHSTCOVIPWOPD-CQSZACIVSA-N 2 2 338.496 1.100 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N(CC(C)(C)O)C3CC3)C2)CC1 ZINC000368726282 447069884 /nfs/dbraw/zinc/06/98/84/447069884.db2.gz FCHSTCOVIPWOPD-CQSZACIVSA-N 2 2 338.496 1.100 20 0 EDADLP COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425386098 447135718 /nfs/dbraw/zinc/13/57/18/447135718.db2.gz SJFAWNFAGQKVDD-YOEHRIQHSA-N 2 2 344.459 1.996 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)C1 ZINC000372564504 447145582 /nfs/dbraw/zinc/14/55/82/447145582.db2.gz AJISVUJSJYJMKM-KURKYZTESA-N 2 2 335.492 1.430 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)C1 ZINC000372564504 447145590 /nfs/dbraw/zinc/14/55/90/447145590.db2.gz AJISVUJSJYJMKM-KURKYZTESA-N 2 2 335.492 1.430 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000372564504 447145595 /nfs/dbraw/zinc/14/55/95/447145595.db2.gz AJISVUJSJYJMKM-KURKYZTESA-N 2 2 335.492 1.430 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000372564504 447145601 /nfs/dbraw/zinc/14/56/01/447145601.db2.gz AJISVUJSJYJMKM-KURKYZTESA-N 2 2 335.492 1.430 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNc1nc(N[C@@H]3CCCOC3)cc[nH+]1)CCC2 ZINC000372571182 447150849 /nfs/dbraw/zinc/15/08/49/447150849.db2.gz OJIJMBRWUPUMMT-HUUCEWRRSA-N 2 2 342.447 2.562 20 0 EDADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000413349169 447156732 /nfs/dbraw/zinc/15/67/32/447156732.db2.gz FUUAZLLZNBNBKA-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)CCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000368864733 447166068 /nfs/dbraw/zinc/16/60/68/447166068.db2.gz CZNISMXSMRQIEI-SFHVURJKSA-N 2 2 341.459 1.378 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)CCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000368864733 447166073 /nfs/dbraw/zinc/16/60/73/447166073.db2.gz CZNISMXSMRQIEI-SFHVURJKSA-N 2 2 341.459 1.378 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)n1C ZINC000425383515 447133639 /nfs/dbraw/zinc/13/36/39/447133639.db2.gz PLKXWRAMXHTGSJ-CQSZACIVSA-N 2 2 345.447 1.586 20 0 EDADLP C[N@H+](CCN1CCNC1=O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377527076 447182382 /nfs/dbraw/zinc/18/23/82/447182382.db2.gz HWTJSGMIBOXBMN-UHFFFAOYSA-N 2 2 331.464 1.046 20 0 EDADLP C[N@@H+](CCN1CCNC1=O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377527076 447182387 /nfs/dbraw/zinc/18/23/87/447182387.db2.gz HWTJSGMIBOXBMN-UHFFFAOYSA-N 2 2 331.464 1.046 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000377537130 447188350 /nfs/dbraw/zinc/18/83/50/447188350.db2.gz GXQXUEHIRGEYTQ-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000377537130 447188358 /nfs/dbraw/zinc/18/83/58/447188358.db2.gz GXQXUEHIRGEYTQ-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP Cn1ncc2c1nc(N1C[C@@H]3[C@H](c4ccccc4)[N@@H+](C)C[C@@H]3C1)[nH+]c2N ZINC000368912844 447200023 /nfs/dbraw/zinc/20/00/23/447200023.db2.gz FBMMRVDZGBFJRW-KBMXLJTQSA-N 2 2 349.442 1.685 20 0 EDADLP Cn1ncc2c1nc(N1C[C@@H]3[C@H](c4ccccc4)[N@H+](C)C[C@@H]3C1)[nH+]c2N ZINC000368912844 447200029 /nfs/dbraw/zinc/20/00/29/447200029.db2.gz FBMMRVDZGBFJRW-KBMXLJTQSA-N 2 2 349.442 1.685 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000413795988 447247446 /nfs/dbraw/zinc/24/74/46/447247446.db2.gz CHEOANHVLMPUEG-ROUUACIJSA-N 2 2 331.460 1.224 20 0 EDADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000413795988 447247452 /nfs/dbraw/zinc/24/74/52/447247452.db2.gz CHEOANHVLMPUEG-ROUUACIJSA-N 2 2 331.460 1.224 20 0 EDADLP COCCn1cc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000377683335 447292465 /nfs/dbraw/zinc/29/24/65/447292465.db2.gz ZYIYSHYHDOJZIL-GOSISDBHSA-N 2 2 335.496 1.131 20 0 EDADLP COCCn1cc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cn1 ZINC000377683335 447292467 /nfs/dbraw/zinc/29/24/67/447292467.db2.gz ZYIYSHYHDOJZIL-GOSISDBHSA-N 2 2 335.496 1.131 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000425719342 447278027 /nfs/dbraw/zinc/27/80/27/447278027.db2.gz BLKFXXPGEHAEBI-MJGOQNOKSA-N 2 2 348.466 1.949 20 0 EDADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000372778209 447282615 /nfs/dbraw/zinc/28/26/15/447282615.db2.gz BALOSISBIYXFLQ-IAGOWNOFSA-N 2 2 333.476 1.752 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)nc1 ZINC000450395029 447477608 /nfs/dbraw/zinc/47/76/08/447477608.db2.gz SOWCQIODEPOANL-GOSISDBHSA-N 2 2 346.475 1.470 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)nc1 ZINC000450395029 447477612 /nfs/dbraw/zinc/47/76/12/447477612.db2.gz SOWCQIODEPOANL-GOSISDBHSA-N 2 2 346.475 1.470 20 0 EDADLP c1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nnn1CC1CC1 ZINC000450454428 447494205 /nfs/dbraw/zinc/49/42/05/447494205.db2.gz RRTOBMVHNYIUIZ-UHFFFAOYSA-N 2 2 333.480 1.765 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCOC2(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000458943033 447511866 /nfs/dbraw/zinc/51/18/66/447511866.db2.gz AEHFTCSNQYCQSA-HOCLYGCPSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H]1CN(C(=O)N[C@H]2CCOC2(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000458943033 447511871 /nfs/dbraw/zinc/51/18/71/447511871.db2.gz AEHFTCSNQYCQSA-HOCLYGCPSA-N 2 2 338.496 1.364 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000459123489 447584523 /nfs/dbraw/zinc/58/45/23/447584523.db2.gz UJSUOYSKRVHAAJ-HUUCEWRRSA-N 2 2 337.468 1.889 20 0 EDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495742444 447572978 /nfs/dbraw/zinc/57/29/78/447572978.db2.gz AFBXRDIXUYWBED-HOTGVXAUSA-N 2 2 340.512 1.564 20 0 EDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495742444 447572985 /nfs/dbraw/zinc/57/29/85/447572985.db2.gz AFBXRDIXUYWBED-HOTGVXAUSA-N 2 2 340.512 1.564 20 0 EDADLP CCc1cc(NCCCN2CC[NH2+]CC2)nc(-c2ccncc2)[nH+]1 ZINC000420107943 447606694 /nfs/dbraw/zinc/60/66/94/447606694.db2.gz BNDOFRVBJJYPSL-UHFFFAOYSA-N 2 2 326.448 1.230 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)S(C)(=O)=O ZINC000450928600 447622875 /nfs/dbraw/zinc/62/28/75/447622875.db2.gz RZWAKHAPRIJJDN-UONOGXRCSA-N 2 2 325.478 1.832 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)S(C)(=O)=O ZINC000450928600 447622880 /nfs/dbraw/zinc/62/28/80/447622880.db2.gz RZWAKHAPRIJJDN-UONOGXRCSA-N 2 2 325.478 1.832 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422585237 447655355 /nfs/dbraw/zinc/65/53/55/447655355.db2.gz BZOQGULZSFGUHV-OAHLLOKOSA-N 2 2 332.448 1.163 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000422585237 447655367 /nfs/dbraw/zinc/65/53/67/447655367.db2.gz BZOQGULZSFGUHV-OAHLLOKOSA-N 2 2 332.448 1.163 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000459425537 447662668 /nfs/dbraw/zinc/66/26/68/447662668.db2.gz KVUJYBFAFCGLRB-IBGZPJMESA-N 3 2 328.460 1.531 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000459425537 447662670 /nfs/dbraw/zinc/66/26/70/447662670.db2.gz KVUJYBFAFCGLRB-IBGZPJMESA-N 3 2 328.460 1.531 20 0 EDADLP Cn1c[nH+]cc1CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000459425537 447662674 /nfs/dbraw/zinc/66/26/74/447662674.db2.gz KVUJYBFAFCGLRB-IBGZPJMESA-N 3 2 328.460 1.531 20 0 EDADLP Cn1c[nH+]cc1CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000459425537 447662678 /nfs/dbraw/zinc/66/26/78/447662678.db2.gz KVUJYBFAFCGLRB-IBGZPJMESA-N 3 2 328.460 1.531 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)NC(C)(C)CC[NH3+])[NH+]2CCOCC2)cc1 ZINC000422600056 447664014 /nfs/dbraw/zinc/66/40/14/447664014.db2.gz SMKZCMZUUHNQQP-QGZVFWFLSA-N 2 2 348.491 1.795 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[C@H]1C[NH3+] ZINC000416930314 447713723 /nfs/dbraw/zinc/71/37/23/447713723.db2.gz KLFUKUJCIJZENA-GOEBONIOSA-N 2 2 347.463 1.045 20 0 EDADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000416933402 447714383 /nfs/dbraw/zinc/71/43/83/447714383.db2.gz AZCXZTUZNWBDEU-MRXNPFEDSA-N 2 2 331.464 1.965 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000422752853 447739527 /nfs/dbraw/zinc/73/95/27/447739527.db2.gz HOSZGCRNGKCXGS-RDJZCZTQSA-N 2 2 330.432 1.618 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000422755930 447740578 /nfs/dbraw/zinc/74/05/78/447740578.db2.gz IFXXNZNVIIRRCW-DLBZAZTESA-N 2 2 325.497 1.378 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000422795769 447752025 /nfs/dbraw/zinc/75/20/25/447752025.db2.gz WPUVALFUIVHGMZ-BHIYHBOVSA-N 2 2 333.476 1.417 20 0 EDADLP C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000458310920 447766834 /nfs/dbraw/zinc/76/68/34/447766834.db2.gz LKRNRPLTGLEGBN-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430565897 447780509 /nfs/dbraw/zinc/78/05/09/447780509.db2.gz BJXDRUJTKVARSI-DIFFPNOSSA-N 2 2 325.403 1.729 20 0 EDADLP O=C(C1CCC1)N(CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000422961768 447781477 /nfs/dbraw/zinc/78/14/77/447781477.db2.gz ZVGRYLBZNSXTMD-ZWKOTPCHSA-N 2 2 335.492 1.524 20 0 EDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccnn1Cc1cccs1 ZINC000430594084 447782407 /nfs/dbraw/zinc/78/24/07/447782407.db2.gz FPANSIAKBFFMRY-MRXNPFEDSA-N 2 2 335.477 1.894 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000430929766 447788090 /nfs/dbraw/zinc/78/80/90/447788090.db2.gz QHSRWHKSHYIGMU-YXWQFLTLSA-N 2 2 347.459 1.693 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000430929766 447788094 /nfs/dbraw/zinc/78/80/94/447788094.db2.gz QHSRWHKSHYIGMU-YXWQFLTLSA-N 2 2 347.459 1.693 20 0 EDADLP OCC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC(c2ccccc2)C1 ZINC000423087639 447803048 /nfs/dbraw/zinc/80/30/48/447803048.db2.gz ONLHZPMLUPTGJK-WBFXSEPVSA-N 2 2 330.472 1.899 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000496667273 447844714 /nfs/dbraw/zinc/84/47/14/447844714.db2.gz JRBXQCWTBIIAQG-KDOFPFPSSA-N 2 2 341.496 1.869 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000496667273 447844716 /nfs/dbraw/zinc/84/47/16/447844716.db2.gz JRBXQCWTBIIAQG-KDOFPFPSSA-N 2 2 341.496 1.869 20 0 EDADLP C[C@H]1C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCC1(F)F ZINC000496700663 447851475 /nfs/dbraw/zinc/85/14/75/447851475.db2.gz KXNWVIHDHCFILH-SWLSCSKDSA-N 2 2 329.391 1.838 20 0 EDADLP C[C@H]1C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCC1(F)F ZINC000496700663 447851476 /nfs/dbraw/zinc/85/14/76/447851476.db2.gz KXNWVIHDHCFILH-SWLSCSKDSA-N 2 2 329.391 1.838 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000569822106 447899678 /nfs/dbraw/zinc/89/96/78/447899678.db2.gz CAWLKUJIWBIXFH-RDJZCZTQSA-N 2 2 346.475 1.835 20 0 EDADLP COc1ccc(OC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000570130167 447949900 /nfs/dbraw/zinc/94/99/00/447949900.db2.gz LQUDTSPMVWQOIL-MRXNPFEDSA-N 2 2 334.460 1.994 20 0 EDADLP COc1ccc(OC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000570130167 447949902 /nfs/dbraw/zinc/94/99/02/447949902.db2.gz LQUDTSPMVWQOIL-MRXNPFEDSA-N 2 2 334.460 1.994 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC000570154884 447954730 /nfs/dbraw/zinc/95/47/30/447954730.db2.gz HAFVDYXXCZBYTM-LVQVYYBASA-N 2 2 340.439 1.653 20 0 EDADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)Oc1ccccc1F ZINC000570154884 447954734 /nfs/dbraw/zinc/95/47/34/447954734.db2.gz HAFVDYXXCZBYTM-LVQVYYBASA-N 2 2 340.439 1.653 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000570295778 447982412 /nfs/dbraw/zinc/98/24/12/447982412.db2.gz PGSQBCCRYPPXEH-KRWDZBQOSA-N 2 2 345.491 1.641 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000570295778 447982416 /nfs/dbraw/zinc/98/24/16/447982416.db2.gz PGSQBCCRYPPXEH-KRWDZBQOSA-N 2 2 345.491 1.641 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000525460230 447999557 /nfs/dbraw/zinc/99/95/57/447999557.db2.gz QWESTAGYUIWIMD-CQSZACIVSA-N 2 2 329.448 1.812 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000525460230 447999562 /nfs/dbraw/zinc/99/95/62/447999562.db2.gz QWESTAGYUIWIMD-CQSZACIVSA-N 2 2 329.448 1.812 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000570425170 448012673 /nfs/dbraw/zinc/01/26/73/448012673.db2.gz WAKSSXQBONGSQP-IBGZPJMESA-N 2 2 344.503 1.600 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000570425170 448012678 /nfs/dbraw/zinc/01/26/78/448012678.db2.gz WAKSSXQBONGSQP-IBGZPJMESA-N 2 2 344.503 1.600 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3c(n2)CCC3)CC1 ZINC000570256903 447970380 /nfs/dbraw/zinc/97/03/80/447970380.db2.gz LPFIOXOYJPXGEW-UHFFFAOYSA-N 2 2 331.464 1.718 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000553040206 447970599 /nfs/dbraw/zinc/97/05/99/447970599.db2.gz SRNKOLXYBVPGDF-UHFFFAOYSA-N 2 2 341.415 1.360 20 0 EDADLP Cn1ncc2c1nc(N)[nH+]c2NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000576478904 448066408 /nfs/dbraw/zinc/06/64/08/448066408.db2.gz GVRYXQKSVZGOLW-UHFFFAOYSA-N 2 2 338.419 1.669 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000571498280 448161657 /nfs/dbraw/zinc/16/16/57/448161657.db2.gz QBTBALYOPXGMHT-MRXNPFEDSA-N 2 2 331.464 1.964 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000571498280 448161660 /nfs/dbraw/zinc/16/16/60/448161660.db2.gz QBTBALYOPXGMHT-MRXNPFEDSA-N 2 2 331.464 1.964 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)/C=C\C[NH+](C)C)[NH+]2CCOCC2)c1 ZINC000491881286 448143093 /nfs/dbraw/zinc/14/30/93/448143093.db2.gz GOHIDIQXJMYDQV-GNJLHFKMSA-N 2 2 331.460 1.602 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)nn1 ZINC000514664121 448181529 /nfs/dbraw/zinc/18/15/29/448181529.db2.gz DKPHULMPMCDPAF-INIZCTEOSA-N 2 2 334.468 1.070 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)nn1 ZINC000514664121 448181536 /nfs/dbraw/zinc/18/15/36/448181536.db2.gz DKPHULMPMCDPAF-INIZCTEOSA-N 2 2 334.468 1.070 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000497079424 448181497 /nfs/dbraw/zinc/18/14/97/448181497.db2.gz IECKYRRPNCUSMS-CQSZACIVSA-N 2 2 329.485 1.725 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000514788179 448202681 /nfs/dbraw/zinc/20/26/81/448202681.db2.gz GXDBGFXUXXUXFY-CVEARBPZSA-N 2 2 326.412 1.266 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000514788179 448202683 /nfs/dbraw/zinc/20/26/83/448202683.db2.gz GXDBGFXUXXUXFY-CVEARBPZSA-N 2 2 326.412 1.266 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000577082778 448208582 /nfs/dbraw/zinc/20/85/82/448208582.db2.gz NGLUFVNGTZHRNG-MRXNPFEDSA-N 2 2 331.464 1.821 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000514596239 448167670 /nfs/dbraw/zinc/16/76/70/448167670.db2.gz NRDRBKJLEZHWEM-WHOHXGKFSA-N 2 2 325.482 1.651 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000514949017 448231622 /nfs/dbraw/zinc/23/16/22/448231622.db2.gz FTQLNVOOVDFYLE-HNNXBMFYSA-N 2 2 334.464 1.692 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000514949017 448231626 /nfs/dbraw/zinc/23/16/26/448231626.db2.gz FTQLNVOOVDFYLE-HNNXBMFYSA-N 2 2 334.464 1.692 20 0 EDADLP Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000571865027 448219548 /nfs/dbraw/zinc/21/95/48/448219548.db2.gz REEQIYYHNFHEGU-GXTWGEPZSA-N 2 2 336.484 1.292 20 0 EDADLP Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000571865027 448219552 /nfs/dbraw/zinc/21/95/52/448219552.db2.gz REEQIYYHNFHEGU-GXTWGEPZSA-N 2 2 336.484 1.292 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514924346 448224795 /nfs/dbraw/zinc/22/47/95/448224795.db2.gz CDKDTULCESCUOI-DFBGVHRSSA-N 2 2 340.830 1.967 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514924346 448224802 /nfs/dbraw/zinc/22/48/02/448224802.db2.gz CDKDTULCESCUOI-DFBGVHRSSA-N 2 2 340.830 1.967 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000582494761 448254582 /nfs/dbraw/zinc/25/45/82/448254582.db2.gz HSEFSPNNRAUBID-LJQANCHMSA-N 2 2 347.503 1.466 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000582494761 448254586 /nfs/dbraw/zinc/25/45/86/448254586.db2.gz HSEFSPNNRAUBID-LJQANCHMSA-N 2 2 347.503 1.466 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000582494761 448254589 /nfs/dbraw/zinc/25/45/89/448254589.db2.gz HSEFSPNNRAUBID-LJQANCHMSA-N 2 2 347.503 1.466 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000582494761 448254591 /nfs/dbraw/zinc/25/45/91/448254591.db2.gz HSEFSPNNRAUBID-LJQANCHMSA-N 2 2 347.503 1.466 20 0 EDADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCCC[N@@H+]3CCO)ccc2[nH+]1 ZINC000515129795 448262525 /nfs/dbraw/zinc/26/25/25/448262525.db2.gz MOAXMKOZSGFEQN-HNNXBMFYSA-N 2 2 331.420 1.611 20 0 EDADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCCC[N@H+]3CCO)ccc2[nH+]1 ZINC000515129795 448262529 /nfs/dbraw/zinc/26/25/29/448262529.db2.gz MOAXMKOZSGFEQN-HNNXBMFYSA-N 2 2 331.420 1.611 20 0 EDADLP C[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)n1cc[nH+]c1 ZINC000577640902 448349628 /nfs/dbraw/zinc/34/96/28/448349628.db2.gz UQWJBHANAOFORS-OIISXLGYSA-N 2 2 334.464 1.718 20 0 EDADLP CNS(=O)(=O)c1cccc2c1CC[N@H+](CCCc1c[nH+]cn1C)C2 ZINC000515864592 448360323 /nfs/dbraw/zinc/36/03/23/448360323.db2.gz HGBHOVUHXHOHQB-UHFFFAOYSA-N 2 2 348.472 1.319 20 0 EDADLP CNS(=O)(=O)c1cccc2c1CC[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC000515864592 448360327 /nfs/dbraw/zinc/36/03/27/448360327.db2.gz HGBHOVUHXHOHQB-UHFFFAOYSA-N 2 2 348.472 1.319 20 0 EDADLP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000528000470 448407215 /nfs/dbraw/zinc/40/72/15/448407215.db2.gz SBUALYXJWMSJID-MSOLQXFVSA-N 2 2 325.497 1.329 20 0 EDADLP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000528000470 448407217 /nfs/dbraw/zinc/40/72/17/448407217.db2.gz SBUALYXJWMSJID-MSOLQXFVSA-N 2 2 325.497 1.329 20 0 EDADLP CC[NH2+]CCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000572585468 448413757 /nfs/dbraw/zinc/41/37/57/448413757.db2.gz PPTXKNYFYLVLHB-HUUCEWRRSA-N 2 2 349.479 1.494 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2csc(-c3ncccn3)n2)CC12CCOCC2 ZINC000572643459 448430664 /nfs/dbraw/zinc/43/06/64/448430664.db2.gz XHZMJTFFYFIOSW-CYBMUJFWSA-N 2 2 345.472 1.787 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2csc(-c3ncccn3)n2)CC12CCOCC2 ZINC000572643459 448430670 /nfs/dbraw/zinc/43/06/70/448430670.db2.gz XHZMJTFFYFIOSW-CYBMUJFWSA-N 2 2 345.472 1.787 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000578047156 448449080 /nfs/dbraw/zinc/44/90/80/448449080.db2.gz BBIPNQAKUYIYSV-UHFFFAOYSA-N 2 2 345.447 1.658 20 0 EDADLP CCCOc1c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1OCC ZINC000578083897 448458682 /nfs/dbraw/zinc/45/86/82/448458682.db2.gz ISLRWFJTVVPKTR-HOTGVXAUSA-N 2 2 347.459 1.618 20 0 EDADLP c1nc(NCC[C@H]2CCC[NH2+]C2)cc(NCC[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000584303043 448479670 /nfs/dbraw/zinc/47/96/70/448479670.db2.gz WAZCSGFYXRCTKV-HZPDHXFCSA-N 3 2 332.496 2.080 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000578245396 448497965 /nfs/dbraw/zinc/49/79/65/448497965.db2.gz NIFKUHGJBLVZHQ-GVDBMIGSSA-N 2 2 334.460 1.994 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000578245396 448497969 /nfs/dbraw/zinc/49/79/69/448497969.db2.gz NIFKUHGJBLVZHQ-GVDBMIGSSA-N 2 2 334.460 1.994 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000578245396 448497974 /nfs/dbraw/zinc/49/79/74/448497974.db2.gz NIFKUHGJBLVZHQ-GVDBMIGSSA-N 2 2 334.460 1.994 20 0 EDADLP CCOc1ccc(OC[C@H](O)C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC000578245396 448497980 /nfs/dbraw/zinc/49/79/80/448497980.db2.gz NIFKUHGJBLVZHQ-GVDBMIGSSA-N 2 2 334.460 1.994 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000566551575 448505322 /nfs/dbraw/zinc/50/53/22/448505322.db2.gz SFKYLRXULVEEEF-MRXNPFEDSA-N 2 2 333.480 1.858 20 0 EDADLP O=S(=O)(NCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591869299 448515313 /nfs/dbraw/zinc/51/53/13/448515313.db2.gz PAWVJSZIEYPZIN-HNNXBMFYSA-N 2 2 334.445 1.499 20 0 EDADLP O=S(=O)(NCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000591869299 448515317 /nfs/dbraw/zinc/51/53/17/448515317.db2.gz PAWVJSZIEYPZIN-HNNXBMFYSA-N 2 2 334.445 1.499 20 0 EDADLP C[C@@H]1CC[N@H+](CCc2nnnn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000536607506 448533767 /nfs/dbraw/zinc/53/37/67/448533767.db2.gz YTFJQMOCUSVNJQ-NVXWUHKLSA-N 2 2 337.431 1.984 20 0 EDADLP C[C@@H]1CC[N@@H+](CCc2nnnn2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000536607506 448533773 /nfs/dbraw/zinc/53/37/73/448533773.db2.gz YTFJQMOCUSVNJQ-NVXWUHKLSA-N 2 2 337.431 1.984 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000517019724 448525033 /nfs/dbraw/zinc/52/50/33/448525033.db2.gz JFDHZLUGZZGEBS-RCBQFDQVSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000517019724 448525036 /nfs/dbraw/zinc/52/50/36/448525036.db2.gz JFDHZLUGZZGEBS-RCBQFDQVSA-N 2 2 338.402 1.761 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000578488370 448556524 /nfs/dbraw/zinc/55/65/24/448556524.db2.gz MHDWLMFSEHKDEG-MRXNPFEDSA-N 2 2 329.448 1.586 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000517097248 448537321 /nfs/dbraw/zinc/53/73/21/448537321.db2.gz JUSJFOUHAQEVJP-LBPRGKRZSA-N 2 2 328.363 1.072 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000573132930 448553223 /nfs/dbraw/zinc/55/32/23/448553223.db2.gz NSZRTJUFSHLILV-SJLPKXTDSA-N 2 2 349.475 1.276 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000573132930 448553226 /nfs/dbraw/zinc/55/32/26/448553226.db2.gz NSZRTJUFSHLILV-SJLPKXTDSA-N 2 2 349.475 1.276 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000573132930 448553230 /nfs/dbraw/zinc/55/32/30/448553230.db2.gz NSZRTJUFSHLILV-SJLPKXTDSA-N 2 2 349.475 1.276 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000573132930 448553236 /nfs/dbraw/zinc/55/32/36/448553236.db2.gz NSZRTJUFSHLILV-SJLPKXTDSA-N 2 2 349.475 1.276 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000539806617 448623811 /nfs/dbraw/zinc/62/38/11/448623811.db2.gz FNLWYXGXFCPDIS-MRXNPFEDSA-N 2 2 343.431 1.354 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000539806617 448623817 /nfs/dbraw/zinc/62/38/17/448623817.db2.gz FNLWYXGXFCPDIS-MRXNPFEDSA-N 2 2 343.431 1.354 20 0 EDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000566904370 448581573 /nfs/dbraw/zinc/58/15/73/448581573.db2.gz OBQLDXXMPDARNU-KRWDZBQOSA-N 2 2 327.432 1.856 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000517538369 448589983 /nfs/dbraw/zinc/58/99/83/448589983.db2.gz IDWMFHGBTNHISK-KBAYOESNSA-N 2 2 346.475 1.185 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000517538369 448589993 /nfs/dbraw/zinc/58/99/93/448589993.db2.gz IDWMFHGBTNHISK-KBAYOESNSA-N 2 2 346.475 1.185 20 0 EDADLP C[N@H+](Cc1ccccc1)[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000573318195 448595674 /nfs/dbraw/zinc/59/56/74/448595674.db2.gz LDVHBJPBTBSGPJ-UXHICEINSA-N 2 2 347.503 1.180 20 0 EDADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)C1CC1 ZINC000573318195 448595678 /nfs/dbraw/zinc/59/56/78/448595678.db2.gz LDVHBJPBTBSGPJ-UXHICEINSA-N 2 2 347.503 1.180 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000573503985 448644479 /nfs/dbraw/zinc/64/44/79/448644479.db2.gz UCYGEYAJDNNMHO-RDJZCZTQSA-N 2 2 326.412 1.506 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000573503985 448644482 /nfs/dbraw/zinc/64/44/82/448644482.db2.gz UCYGEYAJDNNMHO-RDJZCZTQSA-N 2 2 326.412 1.506 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000573624313 448674552 /nfs/dbraw/zinc/67/45/52/448674552.db2.gz VVIJGPWHAQOLOP-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000573624313 448674556 /nfs/dbraw/zinc/67/45/56/448674556.db2.gz VVIJGPWHAQOLOP-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000573624313 448674562 /nfs/dbraw/zinc/67/45/62/448674562.db2.gz VVIJGPWHAQOLOP-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573624313 448674565 /nfs/dbraw/zinc/67/45/65/448674565.db2.gz VVIJGPWHAQOLOP-FUHWJXTLSA-N 2 2 331.460 1.345 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000528728627 448648889 /nfs/dbraw/zinc/64/88/89/448648889.db2.gz KQJANQAOSTVKNJ-YESZJQIVSA-N 2 2 335.492 1.620 20 0 EDADLP [NH3+]C1(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCC1 ZINC000578862687 448655467 /nfs/dbraw/zinc/65/54/67/448655467.db2.gz SGKXSRAYEBSCAS-INIZCTEOSA-N 2 2 332.448 1.241 20 0 EDADLP COC[C@]1(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CCC[NH2+]1 ZINC000578864484 448655633 /nfs/dbraw/zinc/65/56/33/448655633.db2.gz ICADYGHNYKJAND-ZMSDIMECSA-N 2 2 335.452 1.244 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000573582388 448664223 /nfs/dbraw/zinc/66/42/23/448664223.db2.gz AAPMQPMUEKJSHB-YOEHRIQHSA-N 2 2 342.447 1.579 20 0 EDADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000578905472 448668961 /nfs/dbraw/zinc/66/89/61/448668961.db2.gz COIPLDBOUCGYNG-JSGCOSHPSA-N 2 2 338.249 1.501 20 0 EDADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000578905472 448668968 /nfs/dbraw/zinc/66/89/68/448668968.db2.gz COIPLDBOUCGYNG-JSGCOSHPSA-N 2 2 338.249 1.501 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000567177630 448631197 /nfs/dbraw/zinc/63/11/97/448631197.db2.gz MLIMHUAVSCXNTN-UHFFFAOYSA-N 2 2 331.420 1.024 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000578784599 448637026 /nfs/dbraw/zinc/63/70/26/448637026.db2.gz PHIXMTREHPYBQD-IBGZPJMESA-N 2 2 347.503 1.717 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000578994977 448688933 /nfs/dbraw/zinc/68/89/33/448688933.db2.gz HOKBPPYMHROXID-GOSISDBHSA-N 2 2 344.459 1.417 20 0 EDADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000579124339 448722575 /nfs/dbraw/zinc/72/25/75/448722575.db2.gz LXSHAYGJNOHHIS-KBXCAEBGSA-N 2 2 334.464 1.710 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000579122945 448721047 /nfs/dbraw/zinc/72/10/47/448721047.db2.gz CRKGJMMEBGUSIF-DZGCQCFKSA-N 2 2 335.448 1.174 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC ZINC000579122945 448721051 /nfs/dbraw/zinc/72/10/51/448721051.db2.gz CRKGJMMEBGUSIF-DZGCQCFKSA-N 2 2 335.448 1.174 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)ccc2n1C ZINC000573665485 448683373 /nfs/dbraw/zinc/68/33/73/448683373.db2.gz CBUWJJSKNSRDFC-YPMHNXCESA-N 2 2 343.431 1.406 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000579133455 448725053 /nfs/dbraw/zinc/72/50/53/448725053.db2.gz QGXBSOAPTBBGIJ-MRXNPFEDSA-N 2 2 346.475 1.799 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000579133455 448725055 /nfs/dbraw/zinc/72/50/55/448725055.db2.gz QGXBSOAPTBBGIJ-MRXNPFEDSA-N 2 2 346.475 1.799 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC(=O)Nc1ccccc1)CCO2 ZINC000592183895 448726577 /nfs/dbraw/zinc/72/65/77/448726577.db2.gz DOMKJLKXMSPDJV-UHFFFAOYSA-N 2 2 346.431 1.131 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC(=O)Nc1ccccc1)CCO2 ZINC000592183895 448726580 /nfs/dbraw/zinc/72/65/80/448726580.db2.gz DOMKJLKXMSPDJV-UHFFFAOYSA-N 2 2 346.431 1.131 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000573906137 448740933 /nfs/dbraw/zinc/74/09/33/448740933.db2.gz ZHVBCWIBHUJCTN-RDJZCZTQSA-N 2 2 331.464 1.297 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000519175663 448749588 /nfs/dbraw/zinc/74/95/88/448749588.db2.gz YWFHFLUFHWZMMJ-ULQDDVLXSA-N 2 2 326.481 1.743 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000519175663 448749596 /nfs/dbraw/zinc/74/95/96/448749596.db2.gz YWFHFLUFHWZMMJ-ULQDDVLXSA-N 2 2 326.481 1.743 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000519175663 448749600 /nfs/dbraw/zinc/74/96/00/448749600.db2.gz YWFHFLUFHWZMMJ-ULQDDVLXSA-N 2 2 326.481 1.743 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000519175663 448749604 /nfs/dbraw/zinc/74/96/04/448749604.db2.gz YWFHFLUFHWZMMJ-ULQDDVLXSA-N 2 2 326.481 1.743 20 0 EDADLP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)N1CCOCC1 ZINC000567769012 448756132 /nfs/dbraw/zinc/75/61/32/448756132.db2.gz JIESZVUZVFFTGP-HNNXBMFYSA-N 2 2 335.414 1.714 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000568078443 448812179 /nfs/dbraw/zinc/81/21/79/448812179.db2.gz RRBFVJBJNJDLKG-TZMCWYRMSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)C1CC1 ZINC000568078443 448812184 /nfs/dbraw/zinc/81/21/84/448812184.db2.gz RRBFVJBJNJDLKG-TZMCWYRMSA-N 2 2 337.851 1.490 20 0 EDADLP COCC[C@H](Cc1ccco1)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000579346041 448770793 /nfs/dbraw/zinc/77/07/93/448770793.db2.gz XPTFHIDBEIHHQZ-VQHPVUNQSA-N 2 2 340.464 1.287 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567828369 448771118 /nfs/dbraw/zinc/77/11/18/448771118.db2.gz MSSKRKNFGHAMQE-GJZGRUSLSA-N 2 2 325.416 1.729 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000574069825 448784141 /nfs/dbraw/zinc/78/41/41/448784141.db2.gz YADGDZMXSIQXDT-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000574069825 448784146 /nfs/dbraw/zinc/78/41/46/448784146.db2.gz YADGDZMXSIQXDT-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCCC[N@@H+]3CCO)c(C)n2n1 ZINC000574272520 448833485 /nfs/dbraw/zinc/83/34/85/448833485.db2.gz KYSYOMJJNQZCOJ-HOCLYGCPSA-N 2 2 331.464 1.844 20 0 EDADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCCC[N@H+]3CCO)c(C)n2n1 ZINC000574272520 448833488 /nfs/dbraw/zinc/83/34/88/448833488.db2.gz KYSYOMJJNQZCOJ-HOCLYGCPSA-N 2 2 331.464 1.844 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000579628717 448839454 /nfs/dbraw/zinc/83/94/54/448839454.db2.gz VJIPJIAAUQGHLW-AWEZNQCLSA-N 2 2 344.419 1.169 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000579628717 448839457 /nfs/dbraw/zinc/83/94/57/448839457.db2.gz VJIPJIAAUQGHLW-AWEZNQCLSA-N 2 2 344.419 1.169 20 0 EDADLP COc1ccc([C@H](CNc2nc[nH+]c(N)c2OC)[NH+]2CCCC2)cc1 ZINC000568242476 448842927 /nfs/dbraw/zinc/84/29/27/448842927.db2.gz JYCYBPBYCRXOJE-HNNXBMFYSA-N 2 2 343.431 2.325 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC[C@@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529369023 448843960 /nfs/dbraw/zinc/84/39/60/448843960.db2.gz WMCOLUQNCLNVOE-AWEZNQCLSA-N 2 2 334.468 1.701 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529379301 448850535 /nfs/dbraw/zinc/85/05/35/448850535.db2.gz ZWELKRRMXFSIDM-INIZCTEOSA-N 2 2 343.431 1.061 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000519830214 448854912 /nfs/dbraw/zinc/85/49/12/448854912.db2.gz XJIVIUIPVMTNHL-IRXDYDNUSA-N 2 2 326.868 1.680 20 0 EDADLP OCCC[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000519830214 448854916 /nfs/dbraw/zinc/85/49/16/448854916.db2.gz XJIVIUIPVMTNHL-IRXDYDNUSA-N 2 2 326.868 1.680 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC1 ZINC000592524428 448876958 /nfs/dbraw/zinc/87/69/58/448876958.db2.gz XDMWQZYYNIETHZ-GOSISDBHSA-N 2 2 342.480 1.171 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC[C@@H]1[NH3+] ZINC000592488289 448859661 /nfs/dbraw/zinc/85/96/61/448859661.db2.gz JHUCBUARWFRILB-SCRDCRAPSA-N 2 2 336.411 1.922 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC[C@@H]1[NH3+] ZINC000592488289 448859665 /nfs/dbraw/zinc/85/96/65/448859665.db2.gz JHUCBUARWFRILB-SCRDCRAPSA-N 2 2 336.411 1.922 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cnc(C4CCCCC4)s3)CCN2C1=O ZINC000579860336 448900329 /nfs/dbraw/zinc/90/03/29/448900329.db2.gz DEODDSQIVLKWNA-DZGCQCFKSA-N 2 2 334.489 1.935 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cnc(C4CCCCC4)s3)CCN2C1=O ZINC000579860336 448900333 /nfs/dbraw/zinc/90/03/33/448900333.db2.gz DEODDSQIVLKWNA-DZGCQCFKSA-N 2 2 334.489 1.935 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000574551232 448901974 /nfs/dbraw/zinc/90/19/74/448901974.db2.gz KMGNRZOXNHRMRV-WHDPVNKASA-N 2 2 331.464 1.756 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000574551232 448901976 /nfs/dbraw/zinc/90/19/76/448901976.db2.gz KMGNRZOXNHRMRV-WHDPVNKASA-N 2 2 331.464 1.756 20 0 EDADLP C[C@H]([NH2+]Cc1nnnn1C1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580028674 448933182 /nfs/dbraw/zinc/93/31/82/448933182.db2.gz JNIIXQYGGOMAAJ-LSDHHAIUSA-N 2 2 348.495 1.767 20 0 EDADLP C[C@H]([NH2+]Cc1nnnn1C1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000580028674 448933186 /nfs/dbraw/zinc/93/31/86/448933186.db2.gz JNIIXQYGGOMAAJ-LSDHHAIUSA-N 2 2 348.495 1.767 20 0 EDADLP COc1ccccc1[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520398111 448891641 /nfs/dbraw/zinc/89/16/41/448891641.db2.gz RGKUJXXAQGFJQZ-VKSPVCMPSA-N 2 2 348.487 1.785 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000588903119 448947818 /nfs/dbraw/zinc/94/78/18/448947818.db2.gz QLZBPVSPOYSINQ-UHFFFAOYSA-N 2 2 336.480 1.914 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000588903119 448947822 /nfs/dbraw/zinc/94/78/22/448947822.db2.gz QLZBPVSPOYSINQ-UHFFFAOYSA-N 2 2 336.480 1.914 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C2 ZINC000521445244 448987233 /nfs/dbraw/zinc/98/72/33/448987233.db2.gz GJYZZRHXLLSAMU-VNHYZAJKSA-N 2 2 334.464 1.030 20 0 EDADLP C[C@@H]1CN(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)C[C@@]1(C)C[NH3+] ZINC000574862401 448973309 /nfs/dbraw/zinc/97/33/09/448973309.db2.gz WFJRHAXXBFKVBR-IIDMSEBBSA-N 2 2 346.479 1.019 20 0 EDADLP C[C@@H]1CN(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)C[C@@]1(C)C[NH3+] ZINC000574862401 448973314 /nfs/dbraw/zinc/97/33/14/448973314.db2.gz WFJRHAXXBFKVBR-IIDMSEBBSA-N 2 2 346.479 1.019 20 0 EDADLP C[C@H]1C[NH+](CCC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C[C@H](C)O1 ZINC000548192549 449002536 /nfs/dbraw/zinc/00/25/36/449002536.db2.gz KTDQISISJGDFFA-HOTGVXAUSA-N 2 2 348.491 1.701 20 0 EDADLP CC(C)[C@H](C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1)[NH+](C)C ZINC000592840146 449012763 /nfs/dbraw/zinc/01/27/63/449012763.db2.gz KUGOAKCINLJSOE-GOSISDBHSA-N 2 2 332.492 1.959 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH+]1CCCC1 ZINC000582124823 449017657 /nfs/dbraw/zinc/01/76/57/449017657.db2.gz VGTXISSIONBNJX-NUEKZKHPSA-N 2 2 334.489 1.484 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]1 ZINC000521985428 449035605 /nfs/dbraw/zinc/03/56/05/449035605.db2.gz BOAVQUVRIQREKQ-QGZVFWFLSA-N 2 2 332.448 1.070 20 0 EDADLP CC(C)([NH3+])c1nocc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000521899391 449026623 /nfs/dbraw/zinc/02/66/23/449026623.db2.gz UXKCLSNPVZDCRG-UHFFFAOYSA-N 2 2 345.403 1.030 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[C@H]([NH+]4CCCC4)C3)nc[nH+]2)C1 ZINC000569569967 449046152 /nfs/dbraw/zinc/04/61/52/449046152.db2.gz JMMHOGLBKVZMRZ-JYJNAYRXSA-N 2 2 331.464 1.358 20 0 EDADLP CN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000522080574 449048957 /nfs/dbraw/zinc/04/89/57/449048957.db2.gz QIOWOHKMPKJRBH-KRWDZBQOSA-N 2 2 343.475 1.929 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCOc1cccc(Cl)c1 ZINC000575192505 449058839 /nfs/dbraw/zinc/05/88/39/449058839.db2.gz DKSZTLULNYXSNA-JSGCOSHPSA-N 2 2 325.840 1.647 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCOc1cccc(Cl)c1 ZINC000575192505 449058843 /nfs/dbraw/zinc/05/88/43/449058843.db2.gz DKSZTLULNYXSNA-JSGCOSHPSA-N 2 2 325.840 1.647 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC2CC(OCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000575235935 449065965 /nfs/dbraw/zinc/06/59/65/449065965.db2.gz SSVSWCOUNGHWGA-CGZBRXJRSA-N 2 2 332.448 1.019 20 0 EDADLP C[N@H+]1CCN(C(=O)NC2CC(OCc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000575235935 449065973 /nfs/dbraw/zinc/06/59/73/449065973.db2.gz SSVSWCOUNGHWGA-CGZBRXJRSA-N 2 2 332.448 1.019 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548609280 449066781 /nfs/dbraw/zinc/06/67/81/449066781.db2.gz VODPQCBFOAWKPD-INIZCTEOSA-N 2 2 327.432 1.759 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593728930 449162752 /nfs/dbraw/zinc/16/27/52/449162752.db2.gz AVMDRXXWMANAGA-BBRMVZONSA-N 2 2 333.432 1.861 20 0 EDADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593728930 449162761 /nfs/dbraw/zinc/16/27/61/449162761.db2.gz AVMDRXXWMANAGA-BBRMVZONSA-N 2 2 333.432 1.861 20 0 EDADLP Cc1ccc(CCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000604195579 449188758 /nfs/dbraw/zinc/18/87/58/449188758.db2.gz NQCZNRUPBPBGEI-QGZVFWFLSA-N 2 2 345.491 1.400 20 0 EDADLP Cc1ccc(CCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000604195579 449188766 /nfs/dbraw/zinc/18/87/66/449188766.db2.gz NQCZNRUPBPBGEI-QGZVFWFLSA-N 2 2 345.491 1.400 20 0 EDADLP CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208223 449193032 /nfs/dbraw/zinc/19/30/32/449193032.db2.gz IDBHIMYQXMWKBU-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208223 449193037 /nfs/dbraw/zinc/19/30/37/449193037.db2.gz IDBHIMYQXMWKBU-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2cc[nH]n2)CC1 ZINC000600177114 449228406 /nfs/dbraw/zinc/22/84/06/449228406.db2.gz OKGXIHCTTHRIQD-RHSMWYFYSA-N 2 2 336.436 1.247 20 0 EDADLP CCOC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[nH]c1C ZINC000590638885 449232075 /nfs/dbraw/zinc/23/20/75/449232075.db2.gz JICSMSWTOCFPNU-QGZVFWFLSA-N 2 2 348.491 1.712 20 0 EDADLP CCOC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[nH]c1C ZINC000590638885 449232082 /nfs/dbraw/zinc/23/20/82/449232082.db2.gz JICSMSWTOCFPNU-QGZVFWFLSA-N 2 2 348.491 1.712 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1(C)C ZINC000595986933 449298302 /nfs/dbraw/zinc/29/83/02/449298302.db2.gz RSUYXUDCOFXXJJ-IUODEOHRSA-N 2 2 342.447 1.676 20 0 EDADLP Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000602203481 449431358 /nfs/dbraw/zinc/43/13/58/449431358.db2.gz PRWCEKMGKCGLFT-AWEZNQCLSA-N 2 2 331.464 1.196 20 0 EDADLP Cn1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C1CC1 ZINC000602203481 449431359 /nfs/dbraw/zinc/43/13/59/449431359.db2.gz PRWCEKMGKCGLFT-AWEZNQCLSA-N 2 2 331.464 1.196 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614276312 449539799 /nfs/dbraw/zinc/53/97/99/449539799.db2.gz SWOZZYPURIZLRV-IBGZPJMESA-N 2 2 336.395 1.910 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614276312 449539804 /nfs/dbraw/zinc/53/98/04/449539804.db2.gz SWOZZYPURIZLRV-IBGZPJMESA-N 2 2 336.395 1.910 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000600709657 449509321 /nfs/dbraw/zinc/50/93/21/449509321.db2.gz PHOPXQJMKYUHEA-CWRNSKLLSA-N 2 2 339.480 1.297 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000600711163 449509430 /nfs/dbraw/zinc/50/94/30/449509430.db2.gz RMRZCYDDOIUVOR-DZKIICNBSA-N 2 2 339.480 1.297 20 0 EDADLP CN(c1cc(-n2ccnc2)ncn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607145541 449579094 /nfs/dbraw/zinc/57/90/94/449579094.db2.gz DQNYKYGNMFEBDB-MRXNPFEDSA-N 2 2 341.463 1.267 20 0 EDADLP CN(c1cc(-n2ccnc2)ncn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607145541 449579099 /nfs/dbraw/zinc/57/90/99/449579099.db2.gz DQNYKYGNMFEBDB-MRXNPFEDSA-N 2 2 341.463 1.267 20 0 EDADLP CN(c1cc(-n2cc[nH+]c2)ncn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607145541 449579103 /nfs/dbraw/zinc/57/91/03/449579103.db2.gz DQNYKYGNMFEBDB-MRXNPFEDSA-N 3 2 341.463 1.267 20 0 EDADLP CN(c1cc(-n2cc[nH+]c2)ncn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607145541 449579107 /nfs/dbraw/zinc/57/91/07/449579107.db2.gz DQNYKYGNMFEBDB-MRXNPFEDSA-N 3 2 341.463 1.267 20 0 EDADLP CS[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596646771 449584540 /nfs/dbraw/zinc/58/45/40/449584540.db2.gz XRMCPCJJQATNJX-HUUCEWRRSA-N 2 2 330.542 1.843 20 0 EDADLP CS[C@@H]1CCCC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596646771 449584541 /nfs/dbraw/zinc/58/45/41/449584541.db2.gz XRMCPCJJQATNJX-HUUCEWRRSA-N 2 2 330.542 1.843 20 0 EDADLP COC(=O)c1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000596683765 449604842 /nfs/dbraw/zinc/60/48/42/449604842.db2.gz SXSJWXQGWDPOCQ-UHFFFAOYSA-N 2 2 336.436 1.478 20 0 EDADLP COC(=O)c1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000596683765 449604844 /nfs/dbraw/zinc/60/48/44/449604844.db2.gz SXSJWXQGWDPOCQ-UHFFFAOYSA-N 2 2 336.436 1.478 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000612334865 449650216 /nfs/dbraw/zinc/65/02/16/449650216.db2.gz UBPZSCOZDSMNKV-BRWVUGGUSA-N 2 2 346.475 1.627 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3c(F)cccc3F)C2)C1 ZINC000601017951 449654776 /nfs/dbraw/zinc/65/47/76/449654776.db2.gz QVICVMUWHIZRMK-UONOGXRCSA-N 2 2 337.414 1.997 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3c(F)cccc3F)C2)C1 ZINC000601017951 449654784 /nfs/dbraw/zinc/65/47/84/449654784.db2.gz QVICVMUWHIZRMK-UONOGXRCSA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000601017951 449654792 /nfs/dbraw/zinc/65/47/92/449654792.db2.gz QVICVMUWHIZRMK-UONOGXRCSA-N 2 2 337.414 1.997 20 0 EDADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000601017951 449654798 /nfs/dbraw/zinc/65/47/98/449654798.db2.gz QVICVMUWHIZRMK-UONOGXRCSA-N 2 2 337.414 1.997 20 0 EDADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599017836 449700430 /nfs/dbraw/zinc/70/04/30/449700430.db2.gz CTSQFTAZICUFLW-ZDUSSCGKSA-N 2 2 348.399 1.384 20 0 EDADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599017836 449700433 /nfs/dbraw/zinc/70/04/33/449700433.db2.gz CTSQFTAZICUFLW-ZDUSSCGKSA-N 2 2 348.399 1.384 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617724185 449780100 /nfs/dbraw/zinc/78/01/00/449780100.db2.gz WQNWUPREZZMEFV-LMMKCTJWSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617724185 449780102 /nfs/dbraw/zinc/78/01/02/449780102.db2.gz WQNWUPREZZMEFV-LMMKCTJWSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617724185 449780106 /nfs/dbraw/zinc/78/01/06/449780106.db2.gz WQNWUPREZZMEFV-LMMKCTJWSA-N 2 2 345.487 1.734 20 0 EDADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)CO1 ZINC000617724185 449780107 /nfs/dbraw/zinc/78/01/07/449780107.db2.gz WQNWUPREZZMEFV-LMMKCTJWSA-N 2 2 345.487 1.734 20 0 EDADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608358257 449818409 /nfs/dbraw/zinc/81/84/09/449818409.db2.gz HIFWFELCRKCLHB-IBGZPJMESA-N 2 2 345.487 1.912 20 0 EDADLP CC(=O)Nc1cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000617764672 449824113 /nfs/dbraw/zinc/82/41/13/449824113.db2.gz BTYMBEYMWHPBOD-UHFFFAOYSA-N 2 2 334.464 1.567 20 0 EDADLP CC(=O)Nc1cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000617764672 449824120 /nfs/dbraw/zinc/82/41/20/449824120.db2.gz BTYMBEYMWHPBOD-UHFFFAOYSA-N 2 2 334.464 1.567 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1snnc1C(C)(C)C ZINC000617765116 449825931 /nfs/dbraw/zinc/82/59/31/449825931.db2.gz UMIIOKOVGLEZHU-UHFFFAOYSA-N 2 2 327.498 1.449 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1snnc1C(C)(C)C ZINC000617765116 449825936 /nfs/dbraw/zinc/82/59/36/449825936.db2.gz UMIIOKOVGLEZHU-UHFFFAOYSA-N 2 2 327.498 1.449 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)cn2c1 ZINC000594977713 449826721 /nfs/dbraw/zinc/82/67/21/449826721.db2.gz IXJPOGMGEDVXPF-OAHLLOKOSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)cn2c1 ZINC000594977713 449826729 /nfs/dbraw/zinc/82/67/29/449826729.db2.gz IXJPOGMGEDVXPF-OAHLLOKOSA-N 2 2 327.432 1.926 20 0 EDADLP CN1CCOc2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000617764973 449827720 /nfs/dbraw/zinc/82/77/20/449827720.db2.gz ORSDQGOUQIEDPF-UHFFFAOYSA-N 2 2 334.464 1.129 20 0 EDADLP CN1CCOc2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000617764973 449827722 /nfs/dbraw/zinc/82/77/22/449827722.db2.gz ORSDQGOUQIEDPF-UHFFFAOYSA-N 2 2 334.464 1.129 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1csc(C(C)(C)C)n1 ZINC000617767334 449831785 /nfs/dbraw/zinc/83/17/85/449831785.db2.gz PSIMCLUZXOVSMA-UHFFFAOYSA-N 2 2 340.537 1.983 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1csc(C(C)(C)C)n1 ZINC000617767334 449831786 /nfs/dbraw/zinc/83/17/86/449831786.db2.gz PSIMCLUZXOVSMA-UHFFFAOYSA-N 2 2 340.537 1.983 20 0 EDADLP C[C@@H](Oc1cccc(F)c1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767978 449832787 /nfs/dbraw/zinc/83/27/87/449832787.db2.gz KGEYGFCDFURXTR-CQSZACIVSA-N 2 2 325.428 1.593 20 0 EDADLP C[C@@H](Oc1cccc(F)c1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767978 449832790 /nfs/dbraw/zinc/83/27/90/449832790.db2.gz KGEYGFCDFURXTR-CQSZACIVSA-N 2 2 325.428 1.593 20 0 EDADLP Cc1noc2nc(C)cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c12 ZINC000617768337 449833892 /nfs/dbraw/zinc/83/38/92/449833892.db2.gz ZQYVNRVRKGLRCA-UHFFFAOYSA-N 2 2 333.436 1.453 20 0 EDADLP Cc1noc2nc(C)cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c12 ZINC000617768337 449833896 /nfs/dbraw/zinc/83/38/96/449833896.db2.gz ZQYVNRVRKGLRCA-UHFFFAOYSA-N 2 2 333.436 1.453 20 0 EDADLP COC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000608446286 449843139 /nfs/dbraw/zinc/84/31/39/449843139.db2.gz XEYKVZKHRSBOEX-QGZVFWFLSA-N 2 2 340.512 1.515 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](OC)[C@@H]2CCOC2)CC1 ZINC000597176719 449855978 /nfs/dbraw/zinc/85/59/78/449855978.db2.gz KZFQNPUGQJGREW-GDBMZVCRSA-N 2 2 328.453 1.045 20 0 EDADLP COC(=O)c1cnc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cn1 ZINC000599338679 449905464 /nfs/dbraw/zinc/90/54/64/449905464.db2.gz FHUWLLKSHOYFJU-UHFFFAOYSA-N 2 2 327.388 1.735 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258311 449986514 /nfs/dbraw/zinc/98/65/14/449986514.db2.gz RNEWKIWEFGVKEM-HZPDHXFCSA-N 2 2 348.447 1.464 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258311 449986519 /nfs/dbraw/zinc/98/65/19/449986519.db2.gz RNEWKIWEFGVKEM-HZPDHXFCSA-N 2 2 348.447 1.464 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595329898 450044141 /nfs/dbraw/zinc/04/41/41/450044141.db2.gz DOSAMFOWHXNORU-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCCN(CCC(=O)OC)C2=O)C1 ZINC000595329898 450044146 /nfs/dbraw/zinc/04/41/46/450044146.db2.gz DOSAMFOWHXNORU-HZPDHXFCSA-N 2 2 339.480 1.204 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615551817 450141334 /nfs/dbraw/zinc/14/13/34/450141334.db2.gz PLFHIGMBWYIQBB-GOSISDBHSA-N 2 2 340.427 1.809 20 0 EDADLP Cc1cc(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)[nH]1 ZINC000610394367 450205120 /nfs/dbraw/zinc/20/51/20/450205120.db2.gz OXLRSBQEMCVRSJ-QGZVFWFLSA-N 2 2 332.492 1.915 20 0 EDADLP Cc1cc(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)[nH]1 ZINC000610394367 450205124 /nfs/dbraw/zinc/20/51/24/450205124.db2.gz OXLRSBQEMCVRSJ-QGZVFWFLSA-N 2 2 332.492 1.915 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000595561271 450234322 /nfs/dbraw/zinc/23/43/22/450234322.db2.gz DSKQJVCKTHVFAK-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000595561271 450234325 /nfs/dbraw/zinc/23/43/25/450234325.db2.gz DSKQJVCKTHVFAK-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000595561271 450234329 /nfs/dbraw/zinc/23/43/29/450234329.db2.gz DSKQJVCKTHVFAK-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000595561271 450234333 /nfs/dbraw/zinc/23/43/33/450234333.db2.gz DSKQJVCKTHVFAK-BZUAXINKSA-N 2 2 328.497 1.987 20 0 EDADLP C[N@H+](CC(=O)NCC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000625343421 450305938 /nfs/dbraw/zinc/30/59/38/450305938.db2.gz MQFXYESRUAJAJU-HXUWFJFHSA-N 2 2 347.503 1.718 20 0 EDADLP C[N@@H+](CC(=O)NCC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000625343421 450305941 /nfs/dbraw/zinc/30/59/41/450305941.db2.gz MQFXYESRUAJAJU-HXUWFJFHSA-N 2 2 347.503 1.718 20 0 EDADLP C[NH+](CC(=O)NCC(C)(C)C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000625343421 450305949 /nfs/dbraw/zinc/30/59/49/450305949.db2.gz MQFXYESRUAJAJU-HXUWFJFHSA-N 2 2 347.503 1.718 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000603883603 450366156 /nfs/dbraw/zinc/36/61/56/450366156.db2.gz GOYPAPLLVKLIHU-UHFFFAOYSA-N 2 2 338.415 1.919 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000616925393 450516627 /nfs/dbraw/zinc/51/66/27/450516627.db2.gz GKUDEZDBVKYZAU-UHFFFAOYSA-N 2 2 341.459 1.971 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000616925393 450516629 /nfs/dbraw/zinc/51/66/29/450516629.db2.gz GKUDEZDBVKYZAU-UHFFFAOYSA-N 2 2 341.459 1.971 20 0 EDADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)[NH+]1CCOCC1 ZINC000625772552 450502974 /nfs/dbraw/zinc/50/29/74/450502974.db2.gz XWOIHYBKOSHYPK-CABCVRRESA-N 2 2 341.521 1.183 20 0 EDADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)[NH+]1CCOCC1 ZINC000625772552 450502978 /nfs/dbraw/zinc/50/29/78/450502978.db2.gz XWOIHYBKOSHYPK-CABCVRRESA-N 2 2 341.521 1.183 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000616925288 450517011 /nfs/dbraw/zinc/51/70/11/450517011.db2.gz BSZKOPBSUJGJGY-UHFFFAOYSA-N 2 2 327.432 1.429 20 0 EDADLP C[N@H+](CCCNC(=O)NC[C@@H]1COCC[NH+]1C)Cc1ccccc1 ZINC000623388335 450511060 /nfs/dbraw/zinc/51/10/60/450511060.db2.gz FWQXHKRSJSVINH-QGZVFWFLSA-N 2 2 334.464 1.138 20 0 EDADLP C[N@@H+](CCCNC(=O)NC[C@@H]1COCC[NH+]1C)Cc1ccccc1 ZINC000623388335 450511064 /nfs/dbraw/zinc/51/10/64/450511064.db2.gz FWQXHKRSJSVINH-QGZVFWFLSA-N 2 2 334.464 1.138 20 0 EDADLP C[NH+](CCCNC(=O)NC[C@@H]1COCC[N@@H+]1C)Cc1ccccc1 ZINC000623388335 450511066 /nfs/dbraw/zinc/51/10/66/450511066.db2.gz FWQXHKRSJSVINH-QGZVFWFLSA-N 2 2 334.464 1.138 20 0 EDADLP C[NH+](CCCNC(=O)NC[C@@H]1COCC[N@H+]1C)Cc1ccccc1 ZINC000623388335 450511070 /nfs/dbraw/zinc/51/10/70/450511070.db2.gz FWQXHKRSJSVINH-QGZVFWFLSA-N 2 2 334.464 1.138 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000623480451 450528763 /nfs/dbraw/zinc/52/87/63/450528763.db2.gz WDAQTVXQIUEVJO-CVEARBPZSA-N 2 2 332.448 1.077 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000623616284 450551566 /nfs/dbraw/zinc/55/15/66/450551566.db2.gz DFJFTUSNPCVDNB-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000623616284 450551568 /nfs/dbraw/zinc/55/15/68/450551568.db2.gz DFJFTUSNPCVDNB-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000623616284 450551570 /nfs/dbraw/zinc/55/15/70/450551570.db2.gz DFJFTUSNPCVDNB-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000623616284 450551573 /nfs/dbraw/zinc/55/15/73/450551573.db2.gz DFJFTUSNPCVDNB-ROUUACIJSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CO[C@H](C4CC4)C3)C2)CC1 ZINC000623638492 450557346 /nfs/dbraw/zinc/55/73/46/450557346.db2.gz HKUHQAPNMHQZBA-UXLLHSPISA-N 2 2 336.480 1.022 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CO[C@H](C4CC4)C3)C2)CC1 ZINC000623638492 450557350 /nfs/dbraw/zinc/55/73/50/450557350.db2.gz HKUHQAPNMHQZBA-UXLLHSPISA-N 2 2 336.480 1.022 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CO[C@H](C4CC4)C3)C2)CC1 ZINC000623638495 450557466 /nfs/dbraw/zinc/55/74/66/450557466.db2.gz HKUHQAPNMHQZBA-ZOBUZTSGSA-N 2 2 336.480 1.022 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CO[C@H](C4CC4)C3)C2)CC1 ZINC000623638495 450557467 /nfs/dbraw/zinc/55/74/67/450557467.db2.gz HKUHQAPNMHQZBA-ZOBUZTSGSA-N 2 2 336.480 1.022 20 0 EDADLP C[C@@H]1CC(F)(F)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000623639331 450557486 /nfs/dbraw/zinc/55/74/86/450557486.db2.gz OCWRQQLGNLSOGJ-ZIAGYGMSSA-N 2 2 344.450 1.984 20 0 EDADLP C[C@@H]1CC(F)(F)CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000623639331 450557488 /nfs/dbraw/zinc/55/74/88/450557488.db2.gz OCWRQQLGNLSOGJ-ZIAGYGMSSA-N 2 2 344.450 1.984 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@H]3CCCOC3)C2)CC1 ZINC000623638579 450557600 /nfs/dbraw/zinc/55/76/00/450557600.db2.gz KBTODQMVJACMCL-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@H]3CCCOC3)C2)CC1 ZINC000623638579 450557601 /nfs/dbraw/zinc/55/76/01/450557601.db2.gz KBTODQMVJACMCL-CVEARBPZSA-N 2 2 338.496 1.271 20 0 EDADLP CCC(O)(CC)C[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000626109981 450576515 /nfs/dbraw/zinc/57/65/15/450576515.db2.gz HPERLADJRJKHEZ-UHFFFAOYSA-N 2 2 348.491 1.603 20 0 EDADLP CCC(O)(CC)C[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000626109981 450576516 /nfs/dbraw/zinc/57/65/16/450576516.db2.gz HPERLADJRJKHEZ-UHFFFAOYSA-N 2 2 348.491 1.603 20 0 EDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCCO1 ZINC000623881619 450623526 /nfs/dbraw/zinc/62/35/26/450623526.db2.gz UWDHUSHNRPVQOX-IAGOWNOFSA-N 2 2 346.475 1.668 20 0 EDADLP C[C@@H](Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1)C1CC[NH+](C)CC1 ZINC000623969830 450655540 /nfs/dbraw/zinc/65/55/40/450655540.db2.gz VWSFYIHDUJGOQH-YCPHGPKFSA-N 2 2 333.480 1.826 20 0 EDADLP C[C@@H](Nc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1)C1CC[NH+](C)CC1 ZINC000623969830 450655544 /nfs/dbraw/zinc/65/55/44/450655544.db2.gz VWSFYIHDUJGOQH-YCPHGPKFSA-N 2 2 333.480 1.826 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000635139359 450686575 /nfs/dbraw/zinc/68/65/75/450686575.db2.gz SWXBDTLUZNEIOD-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000635139359 450686581 /nfs/dbraw/zinc/68/65/81/450686581.db2.gz SWXBDTLUZNEIOD-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000635139359 450686588 /nfs/dbraw/zinc/68/65/88/450686588.db2.gz SWXBDTLUZNEIOD-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000635139359 450686594 /nfs/dbraw/zinc/68/65/94/450686594.db2.gz SWXBDTLUZNEIOD-ROUUACIJSA-N 2 2 331.460 1.345 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000631659838 450700164 /nfs/dbraw/zinc/70/01/64/450700164.db2.gz OZWLZMFHFGFUGI-INIZCTEOSA-N 2 2 337.489 1.275 20 0 EDADLP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000624120836 450715390 /nfs/dbraw/zinc/71/53/90/450715390.db2.gz HYNHQXYQLYRUHK-SFHVURJKSA-N 3 2 338.540 1.105 20 0 EDADLP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000624120836 450715395 /nfs/dbraw/zinc/71/53/95/450715395.db2.gz HYNHQXYQLYRUHK-SFHVURJKSA-N 3 2 338.540 1.105 20 0 EDADLP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000624120836 450715401 /nfs/dbraw/zinc/71/54/01/450715401.db2.gz HYNHQXYQLYRUHK-SFHVURJKSA-N 3 2 338.540 1.105 20 0 EDADLP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000624120836 450715406 /nfs/dbraw/zinc/71/54/06/450715406.db2.gz HYNHQXYQLYRUHK-SFHVURJKSA-N 3 2 338.540 1.105 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)ccc1S(C)(=O)=O ZINC000629539434 450727602 /nfs/dbraw/zinc/72/76/02/450727602.db2.gz PHVLWVQVTBZNRM-DYEKYZERSA-N 2 2 326.462 1.890 20 0 EDADLP O=S(=O)(CCC[NH+]1CCCC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000631722830 450734223 /nfs/dbraw/zinc/73/42/23/450734223.db2.gz YLGXZEAIPDIRON-UHFFFAOYSA-N 2 2 340.493 1.167 20 0 EDADLP O=C1Nc2ccccc2C[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000624182536 450736787 /nfs/dbraw/zinc/73/67/87/450736787.db2.gz HZKKPCIOURMKNA-WMZOPIPTSA-N 2 2 329.444 1.783 20 0 EDADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1Cl ZINC000629573370 450742944 /nfs/dbraw/zinc/74/29/44/450742944.db2.gz AQMPZDIFLKTMGV-CYBMUJFWSA-N 2 2 346.880 1.290 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(Br)s2)n1 ZINC000629653608 450772731 /nfs/dbraw/zinc/77/27/31/450772731.db2.gz QVDBZBPXLLVXTE-UHFFFAOYSA-N 2 2 329.223 1.755 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633251406 450757792 /nfs/dbraw/zinc/75/77/92/450757792.db2.gz SHYWZGMWKWFRFK-MRXNPFEDSA-N 2 2 348.495 1.075 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000633251406 450757797 /nfs/dbraw/zinc/75/77/97/450757797.db2.gz SHYWZGMWKWFRFK-MRXNPFEDSA-N 2 2 348.495 1.075 20 0 EDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2c(F)cccc2N2CCCC2)n1 ZINC000629652565 450770095 /nfs/dbraw/zinc/77/00/95/450770095.db2.gz HOLXORUHBWTPSE-UHFFFAOYSA-N 2 2 331.395 1.670 20 0 EDADLP CCOCc1ccc(CNC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631868661 450836487 /nfs/dbraw/zinc/83/64/87/450836487.db2.gz MJJKYVKMNXUIIC-MJGOQNOKSA-N 2 2 331.460 1.571 20 0 EDADLP [NH3+][C@@H]1CCCCC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000631833573 450803074 /nfs/dbraw/zinc/80/30/74/450803074.db2.gz CXTQIUVCOPAEPH-QGZVFWFLSA-N 2 2 348.466 1.678 20 0 EDADLP [NH3+][C@@H]1CCCCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000631833573 450803079 /nfs/dbraw/zinc/80/30/79/450803079.db2.gz CXTQIUVCOPAEPH-QGZVFWFLSA-N 2 2 348.466 1.678 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887333 450849498 /nfs/dbraw/zinc/84/94/98/450849498.db2.gz QKUBGVOZXRSINE-IAGOWNOFSA-N 2 2 331.460 1.428 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887333 450849503 /nfs/dbraw/zinc/84/95/03/450849503.db2.gz QKUBGVOZXRSINE-IAGOWNOFSA-N 2 2 331.460 1.428 20 0 EDADLP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)nn1 ZINC000631889190 450850888 /nfs/dbraw/zinc/85/08/88/450850888.db2.gz CZGMCWAGIZTILS-YPMHNXCESA-N 2 2 330.354 1.992 20 0 EDADLP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)nn1 ZINC000631889190 450850891 /nfs/dbraw/zinc/85/08/91/450850891.db2.gz CZGMCWAGIZTILS-YPMHNXCESA-N 2 2 330.354 1.992 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633447427 450855362 /nfs/dbraw/zinc/85/53/62/450855362.db2.gz WCHVZUQJWYGSPQ-JKSUJKDBSA-N 2 2 342.443 1.328 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633447427 450855367 /nfs/dbraw/zinc/85/53/67/450855367.db2.gz WCHVZUQJWYGSPQ-JKSUJKDBSA-N 2 2 342.443 1.328 20 0 EDADLP C[C@@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000631939727 450897474 /nfs/dbraw/zinc/89/74/74/450897474.db2.gz HQGOSSJNUZCUIE-HNNXBMFYSA-N 2 2 339.505 1.521 20 0 EDADLP C[C@@H](CNS(=O)(=O)CC1([NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000631939727 450897481 /nfs/dbraw/zinc/89/74/81/450897481.db2.gz HQGOSSJNUZCUIE-HNNXBMFYSA-N 2 2 339.505 1.521 20 0 EDADLP C[N@H+](CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C1CCC1 ZINC000629946218 450907162 /nfs/dbraw/zinc/90/71/62/450907162.db2.gz AKYQMOZUDMMLJA-SFHVURJKSA-N 2 2 331.460 1.660 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C1CCC1 ZINC000629946218 450907165 /nfs/dbraw/zinc/90/71/65/450907165.db2.gz AKYQMOZUDMMLJA-SFHVURJKSA-N 2 2 331.460 1.660 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000635421414 450927933 /nfs/dbraw/zinc/92/79/33/450927933.db2.gz GAJKXIGZVLXERU-IBEHDNSVSA-N 2 2 332.448 1.613 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000635421414 450927937 /nfs/dbraw/zinc/92/79/37/450927937.db2.gz GAJKXIGZVLXERU-IBEHDNSVSA-N 2 2 332.448 1.613 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)C1CCC1 ZINC000629975448 450929035 /nfs/dbraw/zinc/92/90/35/450929035.db2.gz QHYNHBWHSWYPCQ-JWTNVVGKSA-N 3 2 334.508 1.240 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)C1CCC1 ZINC000629975448 450929037 /nfs/dbraw/zinc/92/90/37/450929037.db2.gz QHYNHBWHSWYPCQ-JWTNVVGKSA-N 3 2 334.508 1.240 20 0 EDADLP C[NH+](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCC1 ZINC000629975448 450929042 /nfs/dbraw/zinc/92/90/42/450929042.db2.gz QHYNHBWHSWYPCQ-JWTNVVGKSA-N 3 2 334.508 1.240 20 0 EDADLP C[NH+](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCC1 ZINC000629975448 450929045 /nfs/dbraw/zinc/92/90/45/450929045.db2.gz QHYNHBWHSWYPCQ-JWTNVVGKSA-N 3 2 334.508 1.240 20 0 EDADLP C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000627826428 450960585 /nfs/dbraw/zinc/96/05/85/450960585.db2.gz XPPAVQSECZJACR-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP C[N@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000627826428 450960592 /nfs/dbraw/zinc/96/05/92/450960592.db2.gz XPPAVQSECZJACR-ZDUSSCGKSA-N 2 2 329.404 1.121 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)nc(C)[nH+]1 ZINC000635543148 451037980 /nfs/dbraw/zinc/03/79/80/451037980.db2.gz YHPUBMXSLLNRMA-RRFJBIMHSA-N 2 2 340.431 1.705 20 0 EDADLP Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)nc(C)[nH+]1 ZINC000635543148 451037987 /nfs/dbraw/zinc/03/79/87/451037987.db2.gz YHPUBMXSLLNRMA-RRFJBIMHSA-N 2 2 340.431 1.705 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc(CC)[nH+]2)[C@H](C)C1 ZINC000635573678 451073111 /nfs/dbraw/zinc/07/31/11/451073111.db2.gz YKMGQBHSXODPRQ-GDBMZVCRSA-N 2 2 336.480 1.768 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc(CC)[nH+]2)[C@H](C)C1 ZINC000635573678 451073115 /nfs/dbraw/zinc/07/31/15/451073115.db2.gz YKMGQBHSXODPRQ-GDBMZVCRSA-N 2 2 336.480 1.768 20 0 EDADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633896101 451079198 /nfs/dbraw/zinc/07/91/98/451079198.db2.gz AVAHRARPVUVVBZ-UHFFFAOYSA-N 2 2 328.416 1.713 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC[N@@H+]1C ZINC000633897968 451082171 /nfs/dbraw/zinc/08/21/71/451082171.db2.gz PZCYYKVXNGWUNV-RDJZCZTQSA-N 2 2 331.460 1.767 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)CC[N@H+]1C ZINC000633897968 451082176 /nfs/dbraw/zinc/08/21/76/451082176.db2.gz PZCYYKVXNGWUNV-RDJZCZTQSA-N 2 2 331.460 1.767 20 0 EDADLP O=C(NCC[NH+]1CCSCC1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635550617 451047093 /nfs/dbraw/zinc/04/70/93/451047093.db2.gz HJIGMDGYAIDZBC-UHFFFAOYSA-N 2 2 332.429 1.357 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000627090205 451120378 /nfs/dbraw/zinc/12/03/78/451120378.db2.gz SCJANNCQXRZFDO-GXTWGEPZSA-N 2 2 334.468 1.760 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632218991 451123486 /nfs/dbraw/zinc/12/34/86/451123486.db2.gz VTPOXAGHOXCROV-AWEZNQCLSA-N 2 2 345.534 1.708 20 0 EDADLP O=C(N1CC[NH+](Cc2cccc(O)c2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635651493 451137065 /nfs/dbraw/zinc/13/70/65/451137065.db2.gz CMXFCPRNQPXIFG-UHFFFAOYSA-N 2 2 343.471 1.912 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121865 451145204 /nfs/dbraw/zinc/14/52/04/451145204.db2.gz ZIAXIZCGIZHQOI-UHFFFAOYSA-N 2 2 332.448 1.085 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC2([NH3+])CCOCC2)c1C ZINC000627154380 451151564 /nfs/dbraw/zinc/15/15/64/451151564.db2.gz IJCHZEDXUMIBMG-UHFFFAOYSA-N 2 2 336.436 1.356 20 0 EDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(C)o3)CC2)CC1 ZINC000628164233 451164299 /nfs/dbraw/zinc/16/42/99/451164299.db2.gz IOZLJOFLFDNZDS-UHFFFAOYSA-N 2 2 334.464 1.749 20 0 EDADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635710454 451188013 /nfs/dbraw/zinc/18/80/13/451188013.db2.gz KMLJUDRLEAZNGW-OAHLLOKOSA-N 2 2 344.415 1.155 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635715072 451194339 /nfs/dbraw/zinc/19/43/39/451194339.db2.gz SBNVIQPIRXCUAQ-OLZOCXBDSA-N 2 2 348.369 1.292 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COCC3CCCC3)c2)CC1 ZINC000634194412 451231206 /nfs/dbraw/zinc/23/12/06/451231206.db2.gz RLVSJBFPROGEAD-UHFFFAOYSA-N 2 2 332.448 1.979 20 0 EDADLP CCc1ccc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)nc1 ZINC000634192990 451227609 /nfs/dbraw/zinc/22/76/09/451227609.db2.gz BILVELIGSVXART-UHFFFAOYSA-N 2 2 339.443 1.972 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3Cc4ccccc4O3)c2)CC1 ZINC000634197517 451233643 /nfs/dbraw/zinc/23/36/43/451233643.db2.gz JEQXQQRHAIGNER-KRWDZBQOSA-N 2 2 338.411 1.776 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC[N@@H+]1C ZINC000638118060 451286011 /nfs/dbraw/zinc/28/60/11/451286011.db2.gz VKZGIADEOKAAHZ-DGCLKSJQSA-N 2 2 329.441 1.388 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC[N@H+]1C ZINC000638118060 451286015 /nfs/dbraw/zinc/28/60/15/451286015.db2.gz VKZGIADEOKAAHZ-DGCLKSJQSA-N 2 2 329.441 1.388 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC[NH+]1C ZINC000638118060 451286020 /nfs/dbraw/zinc/28/60/20/451286020.db2.gz VKZGIADEOKAAHZ-DGCLKSJQSA-N 2 2 329.441 1.388 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2F)CC[NH+]1C ZINC000638118060 451286023 /nfs/dbraw/zinc/28/60/23/451286023.db2.gz VKZGIADEOKAAHZ-DGCLKSJQSA-N 2 2 329.441 1.388 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)CC2)cc[nH+]1 ZINC000635798615 451248370 /nfs/dbraw/zinc/24/83/70/451248370.db2.gz QUQFSLABWSXICO-INIZCTEOSA-N 2 2 342.447 1.918 20 0 EDADLP Clc1ccc2[nH+]c(Cn3cc(CCN4CC[NH2+]CC4)nn3)cn2c1 ZINC000630589725 451266276 /nfs/dbraw/zinc/26/62/76/451266276.db2.gz KTDNJYWPMBGYLX-UHFFFAOYSA-N 2 2 345.838 1.075 20 0 EDADLP CCC(CC)[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+]1CCCC1 ZINC000636524494 451267050 /nfs/dbraw/zinc/26/70/50/451267050.db2.gz OVGLBRXUURDJFB-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CCC(CC)[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+]1CCCC1 ZINC000636524494 451267052 /nfs/dbraw/zinc/26/70/52/451267052.db2.gz OVGLBRXUURDJFB-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632441694 451293729 /nfs/dbraw/zinc/29/37/29/451293729.db2.gz JDHYALDVXJBDMS-UHFFFAOYSA-N 2 2 345.534 1.536 20 0 EDADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000638144795 451318638 /nfs/dbraw/zinc/31/86/38/451318638.db2.gz FWJAOVCIBYGBQI-HZPDHXFCSA-N 2 2 331.464 1.110 20 0 EDADLP Cn1cc[nH+]c1[C@@H](C1CC1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000638144795 451318642 /nfs/dbraw/zinc/31/86/42/451318642.db2.gz FWJAOVCIBYGBQI-HZPDHXFCSA-N 2 2 331.464 1.110 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])n1cc[nH+]c1 ZINC000638211291 451357247 /nfs/dbraw/zinc/35/72/47/451357247.db2.gz UDJJKARZGCOTSX-CVEARBPZSA-N 2 2 349.479 1.316 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629379 451366207 /nfs/dbraw/zinc/36/62/07/451366207.db2.gz MPYFTNPYMGWEFI-DJIMGWMZSA-N 2 2 339.443 1.943 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636629379 451366211 /nfs/dbraw/zinc/36/62/11/451366211.db2.gz MPYFTNPYMGWEFI-DJIMGWMZSA-N 2 2 339.443 1.943 20 0 EDADLP Cc1nnsc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000638276030 451395147 /nfs/dbraw/zinc/39/51/47/451395147.db2.gz VSYBYCHEYYUDNS-MRXNPFEDSA-N 2 2 331.489 1.925 20 0 EDADLP C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)C2)C1 ZINC000635972608 451407652 /nfs/dbraw/zinc/40/76/52/451407652.db2.gz OVZUCPJQGMUFLC-SFHVURJKSA-N 2 2 326.400 1.746 20 0 EDADLP C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(-n4cc[nH+]c4)ccc3O)C2)C1 ZINC000635972608 451407655 /nfs/dbraw/zinc/40/76/55/451407655.db2.gz OVZUCPJQGMUFLC-SFHVURJKSA-N 2 2 326.400 1.746 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000638291004 451407855 /nfs/dbraw/zinc/40/78/55/451407855.db2.gz XTTBDBWMQPUMAM-DOTOQJQBSA-N 2 2 340.427 1.355 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cc(C[NH+](C)C)ccn2)[C@@H](C)C[N@@H+]1CCO ZINC000640574166 451418876 /nfs/dbraw/zinc/41/88/76/451418876.db2.gz STSINZPHCVEILC-KGLIPLIRSA-N 2 2 335.452 1.062 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2cc(C[NH+](C)C)ccn2)[C@@H](C)C[N@H+]1CCO ZINC000640574166 451418881 /nfs/dbraw/zinc/41/88/81/451418881.db2.gz STSINZPHCVEILC-KGLIPLIRSA-N 2 2 335.452 1.062 20 0 EDADLP COCC[NH+]1CCC(NC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000630833673 451427742 /nfs/dbraw/zinc/42/77/42/451427742.db2.gz WJIDSSAMTQYYID-UHFFFAOYSA-N 2 2 328.416 1.917 20 0 EDADLP COc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000638347374 451449810 /nfs/dbraw/zinc/44/98/10/451449810.db2.gz QFNVMVKQDCQRQG-UHFFFAOYSA-N 2 2 333.461 1.588 20 0 EDADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000638353626 451454417 /nfs/dbraw/zinc/45/44/17/451454417.db2.gz CCQDAFYVQAWFNM-AYOQOUSVSA-N 2 2 345.487 1.443 20 0 EDADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000638353626 451454422 /nfs/dbraw/zinc/45/44/22/451454422.db2.gz CCQDAFYVQAWFNM-AYOQOUSVSA-N 2 2 345.487 1.443 20 0 EDADLP Cn1ncnc1C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000638355665 451457190 /nfs/dbraw/zinc/45/71/90/451457190.db2.gz PRVGPWNNBILCHQ-KRWDZBQOSA-N 2 2 328.464 1.284 20 0 EDADLP Cn1ncnc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000638355665 451457192 /nfs/dbraw/zinc/45/71/92/451457192.db2.gz PRVGPWNNBILCHQ-KRWDZBQOSA-N 2 2 328.464 1.284 20 0 EDADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000638383346 451476564 /nfs/dbraw/zinc/47/65/64/451476564.db2.gz GWVPMCMDUSEMMJ-SCTDSRPQSA-N 2 2 330.476 1.033 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000638410502 451496822 /nfs/dbraw/zinc/49/68/22/451496822.db2.gz DINZTWOUMPAHAE-MLGOLLRUSA-N 2 2 334.370 1.801 20 0 EDADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000638410502 451496824 /nfs/dbraw/zinc/49/68/24/451496824.db2.gz DINZTWOUMPAHAE-MLGOLLRUSA-N 2 2 334.370 1.801 20 0 EDADLP OC1CC[NH+](CCC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634718677 451498235 /nfs/dbraw/zinc/49/82/35/451498235.db2.gz HQJMXTPECIIAEB-FQEVSTJZSA-N 3 2 347.503 1.060 20 0 EDADLP OC1CC[NH+](CCC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634718677 451498238 /nfs/dbraw/zinc/49/82/38/451498238.db2.gz HQJMXTPECIIAEB-FQEVSTJZSA-N 3 2 347.503 1.060 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000638412877 451498415 /nfs/dbraw/zinc/49/84/15/451498415.db2.gz TTWMTRDAIBRKOF-LHHMISFZSA-N 2 2 340.427 1.784 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000638412877 451498422 /nfs/dbraw/zinc/49/84/22/451498422.db2.gz TTWMTRDAIBRKOF-LHHMISFZSA-N 2 2 340.427 1.784 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@H](C)C1 ZINC000636794409 451514532 /nfs/dbraw/zinc/51/45/32/451514532.db2.gz HFZQAXMOWSFGRT-VYDXJSESSA-N 2 2 349.479 1.244 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)[C@H](C)C1 ZINC000636794409 451514540 /nfs/dbraw/zinc/51/45/40/451514540.db2.gz HFZQAXMOWSFGRT-VYDXJSESSA-N 2 2 349.479 1.244 20 0 EDADLP Cc1cc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)sn1 ZINC000638454160 451522890 /nfs/dbraw/zinc/52/28/90/451522890.db2.gz KQUUSXVPIFYHKG-UHFFFAOYSA-N 2 2 345.472 1.675 20 0 EDADLP C[C@H](NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000636814155 451529791 /nfs/dbraw/zinc/52/97/91/451529791.db2.gz UUKWUNPWJCYXAR-UONOGXRCSA-N 2 2 347.463 1.137 20 0 EDADLP C[C@H](NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000636814155 451529792 /nfs/dbraw/zinc/52/97/92/451529792.db2.gz UUKWUNPWJCYXAR-UONOGXRCSA-N 2 2 347.463 1.137 20 0 EDADLP C[NH2+]CCOCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638575184 451585058 /nfs/dbraw/zinc/58/50/58/451585058.db2.gz MLKBPQCPKHAMNZ-INIZCTEOSA-N 2 2 339.867 1.657 20 0 EDADLP C[NH2+]CCOCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638575184 451585061 /nfs/dbraw/zinc/58/50/61/451585061.db2.gz MLKBPQCPKHAMNZ-INIZCTEOSA-N 2 2 339.867 1.657 20 0 EDADLP CCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)COC1 ZINC000631151597 451611742 /nfs/dbraw/zinc/61/17/42/451611742.db2.gz BJHXNQUYDKELKR-UHFFFAOYSA-N 2 2 334.460 1.914 20 0 EDADLP Cc1cnc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000638585572 451590762 /nfs/dbraw/zinc/59/07/62/451590762.db2.gz BNTZEBUMRDKRJX-QGZVFWFLSA-N 2 2 342.443 1.970 20 0 EDADLP Cc1cnc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000638585572 451590769 /nfs/dbraw/zinc/59/07/69/451590769.db2.gz BNTZEBUMRDKRJX-QGZVFWFLSA-N 2 2 342.443 1.970 20 0 EDADLP O[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(F)(F)F ZINC000631121601 451596315 /nfs/dbraw/zinc/59/63/15/451596315.db2.gz RIAVWVMEEMASLA-OAHLLOKOSA-N 2 2 348.365 1.410 20 0 EDADLP CO[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000631143890 451607636 /nfs/dbraw/zinc/60/76/36/451607636.db2.gz IHQUOHFWJHEPSQ-IBGZPJMESA-N 2 2 334.460 1.912 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000632841004 451608266 /nfs/dbraw/zinc/60/82/66/451608266.db2.gz QAROFQLQADYREA-UHFFFAOYSA-N 2 2 343.431 1.584 20 0 EDADLP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000631166801 451620404 /nfs/dbraw/zinc/62/04/04/451620404.db2.gz ANKANQJOJNLJIO-QRVBRYPASA-N 2 2 332.444 1.807 20 0 EDADLP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631180602 451630173 /nfs/dbraw/zinc/63/01/73/451630173.db2.gz UEYKDFFBUZTZRH-UHFFFAOYSA-N 3 2 344.459 1.463 20 0 EDADLP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC000631180602 451630180 /nfs/dbraw/zinc/63/01/80/451630180.db2.gz UEYKDFFBUZTZRH-UHFFFAOYSA-N 2 2 344.459 1.463 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1)[NH+]1CCOCC1 ZINC000632911407 451646599 /nfs/dbraw/zinc/64/65/99/451646599.db2.gz ONZWVXMQEYJLLE-JQFCIGGWSA-N 2 2 330.432 1.658 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000635011851 451648562 /nfs/dbraw/zinc/64/85/62/451648562.db2.gz IENBLKZZRMYCKB-SLFFLAALSA-N 2 2 329.488 1.926 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](N[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000635011851 451648565 /nfs/dbraw/zinc/64/85/65/451648565.db2.gz IENBLKZZRMYCKB-SLFFLAALSA-N 2 2 329.488 1.926 20 0 EDADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000635011851 451648567 /nfs/dbraw/zinc/64/85/67/451648567.db2.gz IENBLKZZRMYCKB-SLFFLAALSA-N 2 2 329.488 1.926 20 0 EDADLP CC[NH+]1CCN(CCNC(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000631272588 451673651 /nfs/dbraw/zinc/67/36/51/451673651.db2.gz HSTZQQOWDZEMEH-UHFFFAOYSA-N 2 2 327.432 1.444 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000636328313 451681841 /nfs/dbraw/zinc/68/18/41/451681841.db2.gz DHYCGFGEQVVYCZ-UHFFFAOYSA-N 2 2 342.447 1.183 20 0 EDADLP C[NH+](C)CC1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000636328996 451682533 /nfs/dbraw/zinc/68/25/33/451682533.db2.gz QAACAGLMOMSZSV-UHFFFAOYSA-N 2 2 334.489 1.593 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3[nH]cnc3C(C)(C)C)C2)CC1 ZINC000631258570 451667100 /nfs/dbraw/zinc/66/71/00/451667100.db2.gz UYMJRZWPGWXKLK-ZDUSSCGKSA-N 2 2 333.480 1.606 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3[nH]cnc3C(C)(C)C)C2)CC1 ZINC000631258570 451667105 /nfs/dbraw/zinc/66/71/05/451667105.db2.gz UYMJRZWPGWXKLK-ZDUSSCGKSA-N 2 2 333.480 1.606 20 0 EDADLP COc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)s1 ZINC000639162787 451782424 /nfs/dbraw/zinc/78/24/24/451782424.db2.gz CIFWUXBGRATGBJ-YHWZYXNKSA-N 2 2 338.477 1.325 20 0 EDADLP COc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)s1 ZINC000639162787 451782426 /nfs/dbraw/zinc/78/24/26/451782426.db2.gz CIFWUXBGRATGBJ-YHWZYXNKSA-N 2 2 338.477 1.325 20 0 EDADLP C[NH+](C)CCN(CCCc1ccccc1)Cc1c[nH+]c(N)nc1N ZINC000639171577 451784154 /nfs/dbraw/zinc/78/41/54/451784154.db2.gz WTYHKOBUNNWRIQ-UHFFFAOYSA-N 2 2 328.464 1.298 20 0 EDADLP CN(Cc1c2c(nn1C)CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639171526 451784519 /nfs/dbraw/zinc/78/45/19/451784519.db2.gz BZKFHZBCOLKNNC-QGZVFWFLSA-N 2 2 345.535 1.899 20 0 EDADLP CN(Cc1c2c(nn1C)CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639171526 451784522 /nfs/dbraw/zinc/78/45/22/451784522.db2.gz BZKFHZBCOLKNNC-QGZVFWFLSA-N 2 2 345.535 1.899 20 0 EDADLP Cn1nc2c(c1C[N@H+](C)[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CCCC2 ZINC000639171526 451784524 /nfs/dbraw/zinc/78/45/24/451784524.db2.gz BZKFHZBCOLKNNC-QGZVFWFLSA-N 2 2 345.535 1.899 20 0 EDADLP Cn1nc2c(c1C[N@@H+](C)[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CCCC2 ZINC000639171526 451784527 /nfs/dbraw/zinc/78/45/27/451784527.db2.gz BZKFHZBCOLKNNC-QGZVFWFLSA-N 2 2 345.535 1.899 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)Cn3cc([C@@H]([NH3+])C(C)C)nn3)c2cc1C ZINC000641214883 451784572 /nfs/dbraw/zinc/78/45/72/451784572.db2.gz YEKORNNILMNKBR-KDOFPFPSSA-N 2 2 342.447 1.962 20 0 EDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641293075 451818476 /nfs/dbraw/zinc/81/84/76/451818476.db2.gz WEOPTAYTZUSEKW-DOTOQJQBSA-N 2 2 348.472 1.638 20 0 EDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641293075 451818483 /nfs/dbraw/zinc/81/84/83/451818483.db2.gz WEOPTAYTZUSEKW-DOTOQJQBSA-N 2 2 348.472 1.638 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNC(=O)c1cccs1 ZINC000644523920 451840675 /nfs/dbraw/zinc/84/06/75/451840675.db2.gz AQWDBLJRACEHMG-INIZCTEOSA-N 2 2 347.484 1.560 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNC(=O)c1cccs1 ZINC000644523920 451840680 /nfs/dbraw/zinc/84/06/80/451840680.db2.gz AQWDBLJRACEHMG-INIZCTEOSA-N 2 2 347.484 1.560 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000644535274 451848415 /nfs/dbraw/zinc/84/84/15/451848415.db2.gz AQTKHOKVKZRFHT-YJBOKZPZSA-N 2 2 349.450 1.657 20 0 EDADLP CN(CC[NH+]1CCCCC1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000651477008 451852079 /nfs/dbraw/zinc/85/20/79/451852079.db2.gz PNCRWOVFLBSJRZ-INIZCTEOSA-N 2 2 333.480 1.607 20 0 EDADLP C[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639393410 451862920 /nfs/dbraw/zinc/86/29/20/451862920.db2.gz WUMOMIKLCGWWRY-CQSZACIVSA-N 2 2 343.880 1.513 20 0 EDADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639393410 451862927 /nfs/dbraw/zinc/86/29/27/451862927.db2.gz WUMOMIKLCGWWRY-CQSZACIVSA-N 2 2 343.880 1.513 20 0 EDADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000637447827 451863370 /nfs/dbraw/zinc/86/33/70/451863370.db2.gz RNHWDANSQCWIDT-SFHVURJKSA-N 2 2 348.491 1.399 20 0 EDADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000637447827 451863378 /nfs/dbraw/zinc/86/33/78/451863378.db2.gz RNHWDANSQCWIDT-SFHVURJKSA-N 2 2 348.491 1.399 20 0 EDADLP Cn1nc2c(c1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CCCC2 ZINC000644651865 451919448 /nfs/dbraw/zinc/91/94/48/451919448.db2.gz WJFQCQWTRDCXRQ-QGZVFWFLSA-N 2 2 342.487 1.881 20 0 EDADLP Cn1nc2c(c1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CCCC2 ZINC000644651865 451919453 /nfs/dbraw/zinc/91/94/53/451919453.db2.gz WJFQCQWTRDCXRQ-QGZVFWFLSA-N 2 2 342.487 1.881 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000649281231 451952286 /nfs/dbraw/zinc/95/22/86/451952286.db2.gz SOIZHKWANRFEGO-QAPCUYQASA-N 2 2 347.459 1.025 20 0 EDADLP CO[C@H](Cc1ccccc1)C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000649296256 451972588 /nfs/dbraw/zinc/97/25/88/451972588.db2.gz SSBRYJGNJXOXPL-UXHICEINSA-N 2 2 347.503 1.192 20 0 EDADLP CO[C@H](Cc1ccccc1)C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000649296256 451972593 /nfs/dbraw/zinc/97/25/93/451972593.db2.gz SSBRYJGNJXOXPL-UXHICEINSA-N 2 2 347.503 1.192 20 0 EDADLP CO[C@@H](Cc1ccccc1)C[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000649296255 451973449 /nfs/dbraw/zinc/97/34/49/451973449.db2.gz SSBRYJGNJXOXPL-PMACEKPBSA-N 2 2 347.503 1.192 20 0 EDADLP CO[C@@H](Cc1ccccc1)C[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000649296255 451973452 /nfs/dbraw/zinc/97/34/52/451973452.db2.gz SSBRYJGNJXOXPL-PMACEKPBSA-N 2 2 347.503 1.192 20 0 EDADLP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nnn1C(C)C ZINC000644795771 451993925 /nfs/dbraw/zinc/99/39/25/451993925.db2.gz QQZFMQOAUVQJMQ-INIZCTEOSA-N 2 2 348.495 1.408 20 0 EDADLP Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nnn1C(C)C ZINC000644795771 451993930 /nfs/dbraw/zinc/99/39/30/451993930.db2.gz QQZFMQOAUVQJMQ-INIZCTEOSA-N 2 2 348.495 1.408 20 0 EDADLP CC[N@H+](CCNS(=O)(=O)CCn1cc[nH+]c1)CCC(F)(F)F ZINC000641456044 451994038 /nfs/dbraw/zinc/99/40/38/451994038.db2.gz NUBBGYXISXSDLY-UHFFFAOYSA-N 2 2 342.387 1.077 20 0 EDADLP CC[N@@H+](CCNS(=O)(=O)CCn1cc[nH+]c1)CCC(F)(F)F ZINC000641456044 451994042 /nfs/dbraw/zinc/99/40/42/451994042.db2.gz NUBBGYXISXSDLY-UHFFFAOYSA-N 2 2 342.387 1.077 20 0 EDADLP COC[C@@]1(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CCC[NH2+]1 ZINC000649317953 451995723 /nfs/dbraw/zinc/99/57/23/451995723.db2.gz HKBPOJWWMBMTTD-SCLBCKFNSA-N 2 2 334.464 1.380 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000649320032 451998868 /nfs/dbraw/zinc/99/88/68/451998868.db2.gz JJHTWFZHFPCRFE-DOTOQJQBSA-N 2 2 331.460 1.714 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCC[NH+]2CC=CCC2)C1 ZINC000641471104 452005622 /nfs/dbraw/zinc/00/56/22/452005622.db2.gz VEXMNBNICREVAL-UHFFFAOYSA-N 2 2 335.473 1.215 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)NCC[NH+]2CC=CCC2)C1 ZINC000641471104 452005629 /nfs/dbraw/zinc/00/56/29/452005629.db2.gz VEXMNBNICREVAL-UHFFFAOYSA-N 2 2 335.473 1.215 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000641471104 452005634 /nfs/dbraw/zinc/00/56/34/452005634.db2.gz VEXMNBNICREVAL-UHFFFAOYSA-N 2 2 335.473 1.215 20 0 EDADLP C[NH+]1CCc2c(cccc2S(=O)(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000641471104 452005639 /nfs/dbraw/zinc/00/56/39/452005639.db2.gz VEXMNBNICREVAL-UHFFFAOYSA-N 2 2 335.473 1.215 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000639662742 452007041 /nfs/dbraw/zinc/00/70/41/452007041.db2.gz NHSSYBVKBNYSMB-INIZCTEOSA-N 2 2 334.460 1.899 20 0 EDADLP Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000637688518 452019918 /nfs/dbraw/zinc/01/99/18/452019918.db2.gz SGYNBJKIWVBWOJ-INIZCTEOSA-N 2 2 334.464 1.898 20 0 EDADLP Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000637688518 452019923 /nfs/dbraw/zinc/01/99/23/452019923.db2.gz SGYNBJKIWVBWOJ-INIZCTEOSA-N 2 2 334.464 1.898 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649346806 452029215 /nfs/dbraw/zinc/02/92/15/452029215.db2.gz MLSYXHNTKQUXPV-KRWDZBQOSA-N 2 2 342.443 1.368 20 0 EDADLP CN(Cc1nnn(C(C)(C)C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000653593901 452030731 /nfs/dbraw/zinc/03/07/31/452030731.db2.gz VLMPYYQLALQNSY-OAHLLOKOSA-N 2 2 335.500 1.028 20 0 EDADLP CN(Cc1nnn(C(C)(C)C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000653593901 452030737 /nfs/dbraw/zinc/03/07/37/452030737.db2.gz VLMPYYQLALQNSY-OAHLLOKOSA-N 2 2 335.500 1.028 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C(=O)N1C ZINC000639694910 452032456 /nfs/dbraw/zinc/03/24/56/452032456.db2.gz ORBPZRAOTXMBJX-BRWVUGGUSA-N 2 2 345.487 1.958 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C(=O)N1C ZINC000639694910 452032462 /nfs/dbraw/zinc/03/24/62/452032462.db2.gz ORBPZRAOTXMBJX-BRWVUGGUSA-N 2 2 345.487 1.958 20 0 EDADLP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(CO)cc[nH+]1 ZINC000641503134 452035498 /nfs/dbraw/zinc/03/54/98/452035498.db2.gz CDHLPLPESWXVBF-LJQANCHMSA-N 2 2 327.428 1.647 20 0 EDADLP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(CO)cc[nH+]1 ZINC000641503134 452035505 /nfs/dbraw/zinc/03/55/05/452035505.db2.gz CDHLPLPESWXVBF-LJQANCHMSA-N 2 2 327.428 1.647 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C(F)(F)F ZINC000649366318 452044103 /nfs/dbraw/zinc/04/41/03/452044103.db2.gz WKGUBACVFAIEKY-CHWSQXEVSA-N 2 2 330.354 1.442 20 0 EDADLP [NH3+]CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C(F)(F)F ZINC000649366318 452044106 /nfs/dbraw/zinc/04/41/06/452044106.db2.gz WKGUBACVFAIEKY-CHWSQXEVSA-N 2 2 330.354 1.442 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CCn4c[nH+]cc4C3)C2)cc1 ZINC000637719489 452044751 /nfs/dbraw/zinc/04/47/51/452044751.db2.gz OBDDEZDPDYLFAB-KRWDZBQOSA-N 2 2 339.443 1.991 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CCn4c[nH+]cc4C3)C2)cc1 ZINC000637719489 452044755 /nfs/dbraw/zinc/04/47/55/452044755.db2.gz OBDDEZDPDYLFAB-KRWDZBQOSA-N 2 2 339.443 1.991 20 0 EDADLP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C[NH3+])OC ZINC000649379235 452051772 /nfs/dbraw/zinc/05/17/72/452051772.db2.gz UZSUTGMABDNPIT-BMGDILEWSA-N 2 2 348.491 1.423 20 0 EDADLP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C[NH3+])OC ZINC000649379235 452051775 /nfs/dbraw/zinc/05/17/75/452051775.db2.gz UZSUTGMABDNPIT-BMGDILEWSA-N 2 2 348.491 1.423 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000644886441 452052102 /nfs/dbraw/zinc/05/21/02/452052102.db2.gz BMFQKKSHBQATCP-UHFFFAOYSA-N 2 2 326.400 1.905 20 0 EDADLP CCN1C[C@H](C[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)Oc2ccccc21 ZINC000649411283 452073276 /nfs/dbraw/zinc/07/32/76/452073276.db2.gz CXVQZYOIAXGBLU-ZDUSSCGKSA-N 2 2 345.447 1.983 20 0 EDADLP CCN1C[C@H](C[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)Oc2ccccc21 ZINC000649411283 452073283 /nfs/dbraw/zinc/07/32/83/452073283.db2.gz CXVQZYOIAXGBLU-ZDUSSCGKSA-N 2 2 345.447 1.983 20 0 EDADLP CC1([NH3+])CC[NH+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000649416167 452078746 /nfs/dbraw/zinc/07/87/46/452078746.db2.gz UUWDWGFWJAZTLD-MRXNPFEDSA-N 2 2 330.476 1.442 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)c1ccccc1 ZINC000637800160 452088882 /nfs/dbraw/zinc/08/88/82/452088882.db2.gz ZKHOZUXFLRYPPI-WBVHZDCISA-N 2 2 346.475 1.006 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000639761246 452099890 /nfs/dbraw/zinc/09/98/90/452099890.db2.gz FPNWCYPHGILLCU-RBUKOAKNSA-N 2 2 333.476 1.280 20 0 EDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000639761246 452099895 /nfs/dbraw/zinc/09/98/95/452099895.db2.gz FPNWCYPHGILLCU-RBUKOAKNSA-N 2 2 333.476 1.280 20 0 EDADLP Nc1nc(N)c(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c[nH+]1 ZINC000637885540 452137376 /nfs/dbraw/zinc/13/73/76/452137376.db2.gz WBFPRWHYNJHOHW-UHFFFAOYSA-N 2 2 330.411 1.149 20 0 EDADLP Nc1nc(N)c(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c[nH+]1 ZINC000637885540 452137382 /nfs/dbraw/zinc/13/73/82/452137382.db2.gz WBFPRWHYNJHOHW-UHFFFAOYSA-N 2 2 330.411 1.149 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C[C@@H](C)O)C2CC2)CC1 ZINC000653896200 452166649 /nfs/dbraw/zinc/16/66/49/452166649.db2.gz NMGNTCJXMXAVCE-QGZVFWFLSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C[C@@H](C)O)C2CC2)CC1 ZINC000653896200 452166656 /nfs/dbraw/zinc/16/66/56/452166656.db2.gz NMGNTCJXMXAVCE-QGZVFWFLSA-N 2 2 345.487 1.484 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000643428224 452212662 /nfs/dbraw/zinc/21/26/62/452212662.db2.gz IUEJGIRWMDUEJU-UHFFFAOYSA-N 2 2 347.463 1.323 20 0 EDADLP c1ccc(C[N@H+]2CC[C@@H]3OCCN(CC[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000649750704 452229799 /nfs/dbraw/zinc/22/97/99/452229799.db2.gz WIMNYGXQXHYCJT-UXHICEINSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@@H]3OCCN(CC[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC000649750704 452229805 /nfs/dbraw/zinc/22/98/05/452229805.db2.gz WIMNYGXQXHYCJT-UXHICEINSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@H+]2CC[C@H]3OCCN(CC[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000649750705 452229852 /nfs/dbraw/zinc/22/98/52/452229852.db2.gz WIMNYGXQXHYCJT-VQTJNVASSA-N 2 2 345.487 1.294 20 0 EDADLP c1ccc(C[N@@H+]2CC[C@H]3OCCN(CC[NH+]4CCOCC4)[C@H]3C2)cc1 ZINC000649750705 452229857 /nfs/dbraw/zinc/22/98/57/452229857.db2.gz WIMNYGXQXHYCJT-VQTJNVASSA-N 2 2 345.487 1.294 20 0 EDADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000643455481 452232587 /nfs/dbraw/zinc/23/25/87/452232587.db2.gz JYGUAGDYDPFDPV-QYZOEREBSA-N 3 2 338.540 1.293 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000645268345 452247130 /nfs/dbraw/zinc/24/71/30/452247130.db2.gz PQCCAXDTVDCXAN-QGZVFWFLSA-N 2 2 331.460 1.728 20 0 EDADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000641776452 452247272 /nfs/dbraw/zinc/24/72/72/452247272.db2.gz ZODOXTXLLYQDSG-UHFFFAOYSA-N 2 2 327.375 1.920 20 0 EDADLP C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000649780027 452247250 /nfs/dbraw/zinc/24/72/50/452247250.db2.gz VLKQKSHXRJTPRY-XYPHTWIQSA-N 2 2 348.491 1.903 20 0 EDADLP C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000649780027 452247256 /nfs/dbraw/zinc/24/72/56/452247256.db2.gz VLKQKSHXRJTPRY-XYPHTWIQSA-N 2 2 348.491 1.903 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C1CC1 ZINC000647519624 452255668 /nfs/dbraw/zinc/25/56/68/452255668.db2.gz QLIHEEARDHCNQH-PMPSAXMXSA-N 2 2 346.393 1.566 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C1CC1 ZINC000647519624 452255675 /nfs/dbraw/zinc/25/56/75/452255675.db2.gz QLIHEEARDHCNQH-PMPSAXMXSA-N 2 2 346.393 1.566 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000641786368 452259115 /nfs/dbraw/zinc/25/91/15/452259115.db2.gz PTGUNJGPQNUFHH-HCXYKTFWSA-N 2 2 349.519 1.330 20 0 EDADLP Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786681 452261320 /nfs/dbraw/zinc/26/13/20/452261320.db2.gz RDJAWRUPVQXEAY-MSOLQXFVSA-N 2 2 332.492 1.837 20 0 EDADLP Cc1nc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cs1 ZINC000641788355 452262034 /nfs/dbraw/zinc/26/20/34/452262034.db2.gz YTOYEKKHWSDLCT-GDBMZVCRSA-N 2 2 338.521 1.899 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638018547 452262717 /nfs/dbraw/zinc/26/27/17/452262717.db2.gz QTFWZAWKCVFUJV-CYBMUJFWSA-N 2 2 338.408 1.507 20 0 EDADLP NS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000638018547 452262724 /nfs/dbraw/zinc/26/27/24/452262724.db2.gz QTFWZAWKCVFUJV-CYBMUJFWSA-N 2 2 338.408 1.507 20 0 EDADLP c1nc2cc(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)ccc2[nH]1 ZINC000641787836 452263758 /nfs/dbraw/zinc/26/37/58/452263758.db2.gz FFMARMBLCVWKPG-QGZVFWFLSA-N 2 2 343.475 1.449 20 0 EDADLP c1nc2ccc(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)cc2[nH]1 ZINC000641787836 452263764 /nfs/dbraw/zinc/26/37/64/452263764.db2.gz FFMARMBLCVWKPG-QGZVFWFLSA-N 2 2 343.475 1.449 20 0 EDADLP COc1cc(C[NH+]2CCC(C)([NH3+])CC2)cc(Cl)c1OCC(N)=O ZINC000647530861 452264314 /nfs/dbraw/zinc/26/43/14/452264314.db2.gz LHNAHWAYHQEJDK-UHFFFAOYSA-N 2 2 341.839 1.526 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)[C@@]1(C)CCCO1 ZINC000641787418 452264469 /nfs/dbraw/zinc/26/44/69/452264469.db2.gz VFUMBXBYPHLSGY-RCCFBDPRSA-N 2 2 325.497 1.330 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCSCC1 ZINC000641788378 452267331 /nfs/dbraw/zinc/26/73/31/452267331.db2.gz ZHFLOAOBINQHEJ-WMZOPIPTSA-N 2 2 341.565 1.904 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)Cc1ccncc1 ZINC000647534004 452268948 /nfs/dbraw/zinc/26/89/48/452268948.db2.gz DJOOTGRTVVUKOQ-RTBURBONSA-N 2 2 329.444 1.068 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)Cc1ccncc1 ZINC000647534004 452268961 /nfs/dbraw/zinc/26/89/61/452268961.db2.gz DJOOTGRTVVUKOQ-RTBURBONSA-N 2 2 329.444 1.068 20 0 EDADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000647549116 452276706 /nfs/dbraw/zinc/27/67/06/452276706.db2.gz IVYMMZUIFPHGOY-IPELMVKDSA-N 3 2 344.503 1.472 20 0 EDADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000647549116 452276718 /nfs/dbraw/zinc/27/67/18/452276718.db2.gz IVYMMZUIFPHGOY-IPELMVKDSA-N 3 2 344.503 1.472 20 0 EDADLP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000659435681 452281938 /nfs/dbraw/zinc/28/19/38/452281938.db2.gz ZMLAIQMMXKAYRV-URSIVYNOSA-N 2 2 344.459 1.193 20 0 EDADLP COC1([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000665717510 452282941 /nfs/dbraw/zinc/28/29/41/452282941.db2.gz AEQIASXKQUUSBE-LSDHHAIUSA-N 2 2 338.496 1.412 20 0 EDADLP COC1([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000665717510 452282952 /nfs/dbraw/zinc/28/29/52/452282952.db2.gz AEQIASXKQUUSBE-LSDHHAIUSA-N 2 2 338.496 1.412 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488960 452289173 /nfs/dbraw/zinc/28/91/73/452289173.db2.gz KAZCJQRTEGKCJA-OIPACUDHSA-N 2 2 331.460 1.487 20 0 EDADLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488960 452289183 /nfs/dbraw/zinc/28/91/83/452289183.db2.gz KAZCJQRTEGKCJA-OIPACUDHSA-N 2 2 331.460 1.487 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1(C)C ZINC000641812867 452292761 /nfs/dbraw/zinc/29/27/61/452292761.db2.gz NLXBAXRRUONUNH-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1(C)C ZINC000641812867 452292770 /nfs/dbraw/zinc/29/27/70/452292770.db2.gz NLXBAXRRUONUNH-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP [NH3+]C[C@]1(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CCCOC1 ZINC000638049376 452318667 /nfs/dbraw/zinc/31/86/67/452318667.db2.gz DMOZLKUCOGVXLP-MRXNPFEDSA-N 2 2 338.477 1.823 20 0 EDADLP [NH3+]Cc1ccc(CNC(=O)NCCCNc2cccc[nH+]2)c(F)c1 ZINC000652130232 452325746 /nfs/dbraw/zinc/32/57/46/452325746.db2.gz GCCFPWJTQNZOJI-UHFFFAOYSA-N 2 2 331.395 1.981 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663631652 452372442 /nfs/dbraw/zinc/37/24/42/452372442.db2.gz ZYXAUGUQJQSNPH-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663631652 452372450 /nfs/dbraw/zinc/37/24/50/452372450.db2.gz ZYXAUGUQJQSNPH-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663631652 452372454 /nfs/dbraw/zinc/37/24/54/452372454.db2.gz ZYXAUGUQJQSNPH-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000663631652 452372463 /nfs/dbraw/zinc/37/24/63/452372463.db2.gz ZYXAUGUQJQSNPH-OAGGEKHMSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000663642052 452384738 /nfs/dbraw/zinc/38/47/38/452384738.db2.gz OIYPNKCMHQTZOJ-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000663642052 452384747 /nfs/dbraw/zinc/38/47/47/452384747.db2.gz OIYPNKCMHQTZOJ-OWCLPIDISA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652189048 452386662 /nfs/dbraw/zinc/38/66/62/452386662.db2.gz BCEYEPDNRHQEPQ-RDTXWAMCSA-N 2 2 338.448 1.820 20 0 EDADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652189048 452386671 /nfs/dbraw/zinc/38/66/71/452386671.db2.gz BCEYEPDNRHQEPQ-RDTXWAMCSA-N 2 2 338.448 1.820 20 0 EDADLP CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000638078375 452391902 /nfs/dbraw/zinc/39/19/02/452391902.db2.gz JUTXXYABXDMZPZ-KRWDZBQOSA-N 2 2 346.475 1.776 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663681050 452417448 /nfs/dbraw/zinc/41/74/48/452417448.db2.gz LVWSHGJLUCEPKY-MRXNPFEDSA-N 2 2 347.463 1.124 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663681050 452417455 /nfs/dbraw/zinc/41/74/55/452417455.db2.gz LVWSHGJLUCEPKY-MRXNPFEDSA-N 2 2 347.463 1.124 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652241845 452427652 /nfs/dbraw/zinc/42/76/52/452427652.db2.gz BIWJINRUZKAHFK-UHFFFAOYSA-N 2 2 346.475 1.651 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c(C)[nH+]1 ZINC000652290211 452475052 /nfs/dbraw/zinc/47/50/52/452475052.db2.gz SVJYRUSEIPQZNU-UHFFFAOYSA-N 2 2 332.448 1.890 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659621450 452479433 /nfs/dbraw/zinc/47/94/33/452479433.db2.gz FITCQYFTZMPAQM-IAGOWNOFSA-N 3 2 339.528 1.170 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659621450 452479439 /nfs/dbraw/zinc/47/94/39/452479439.db2.gz FITCQYFTZMPAQM-IAGOWNOFSA-N 3 2 339.528 1.170 20 0 EDADLP C[C@H](NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1[nH+]ccn1C ZINC000659628371 452484805 /nfs/dbraw/zinc/48/48/05/452484805.db2.gz PCOLALKGPSBQCS-AEGPPILISA-N 2 2 335.452 1.409 20 0 EDADLP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc2c1OCO2 ZINC000657751289 452499414 /nfs/dbraw/zinc/49/94/14/452499414.db2.gz PBEFDLDXJCXZNZ-OAHLLOKOSA-N 2 2 334.416 1.767 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cc2[nH+]1 ZINC000657778135 452523531 /nfs/dbraw/zinc/52/35/31/452523531.db2.gz LEYTVXGFLSSMQN-DZGCQCFKSA-N 2 2 341.415 1.134 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc2[nH+]1 ZINC000657778135 452523538 /nfs/dbraw/zinc/52/35/38/452523538.db2.gz LEYTVXGFLSSMQN-DZGCQCFKSA-N 2 2 341.415 1.134 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@H]1C[NH3+] ZINC000652357870 452536914 /nfs/dbraw/zinc/53/69/14/452536914.db2.gz JKPRWVAIHMTTBI-LMMKCTJWSA-N 2 2 333.476 1.796 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C[C@H]1C[NH3+] ZINC000652357870 452536923 /nfs/dbraw/zinc/53/69/23/452536923.db2.gz JKPRWVAIHMTTBI-LMMKCTJWSA-N 2 2 333.476 1.796 20 0 EDADLP Fc1cccnc1N1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655722990 452537507 /nfs/dbraw/zinc/53/75/07/452537507.db2.gz KRGAQONVOXDJDV-HOTGVXAUSA-N 2 2 334.439 1.642 20 0 EDADLP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655725944 452538955 /nfs/dbraw/zinc/53/89/55/452538955.db2.gz NZRYTVBKGLOFNE-QFBILLFUSA-N 3 2 337.508 1.330 20 0 EDADLP O=c1[nH]c2ccccc2n1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655730337 452541743 /nfs/dbraw/zinc/54/17/43/452541743.db2.gz IMSLMOUJDJRFGZ-OAHLLOKOSA-N 2 2 330.432 1.585 20 0 EDADLP CC(=O)Nc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652362243 452544835 /nfs/dbraw/zinc/54/48/35/452544835.db2.gz AWVHECYZWJAZFS-YUELXQCFSA-N 2 2 338.477 1.962 20 0 EDADLP CC(=O)Nc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652362243 452544840 /nfs/dbraw/zinc/54/48/40/452544840.db2.gz AWVHECYZWJAZFS-YUELXQCFSA-N 2 2 338.477 1.962 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000663830890 452557694 /nfs/dbraw/zinc/55/76/94/452557694.db2.gz PJXNTUZNFGMDES-UONOGXRCSA-N 2 2 339.484 1.509 20 0 EDADLP C[C@@H](O)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000661767029 452561632 /nfs/dbraw/zinc/56/16/32/452561632.db2.gz IMKXXNPXVFPFAY-GDBMZVCRSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000661767029 452561641 /nfs/dbraw/zinc/56/16/41/452561641.db2.gz IMKXXNPXVFPFAY-GDBMZVCRSA-N 2 2 337.489 1.238 20 0 EDADLP OCCN1CCCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772486 452568610 /nfs/dbraw/zinc/56/86/10/452568610.db2.gz XEBZFSARIPKQDR-ROUUACIJSA-N 2 2 325.497 1.066 20 0 EDADLP COc1ccc(-c2cnc(C[N@H+](C)CCN3CC[NH2+]CC3)o2)cc1 ZINC000647835552 452573761 /nfs/dbraw/zinc/57/37/61/452573761.db2.gz BKFYCHNBGGPBKT-UHFFFAOYSA-N 2 2 330.432 1.687 20 0 EDADLP COc1ccc(-c2cnc(C[N@@H+](C)CCN3CC[NH2+]CC3)o2)cc1 ZINC000647835552 452573770 /nfs/dbraw/zinc/57/37/70/452573770.db2.gz BKFYCHNBGGPBKT-UHFFFAOYSA-N 2 2 330.432 1.687 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663893076 452619877 /nfs/dbraw/zinc/61/98/77/452619877.db2.gz IUMWBMOEHIMZSN-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CCC[NH+]1CCC(CNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663893076 452619885 /nfs/dbraw/zinc/61/98/85/452619885.db2.gz IUMWBMOEHIMZSN-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP COc1ccc(C(=O)N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000647881542 452620105 /nfs/dbraw/zinc/62/01/05/452620105.db2.gz GBKWCAWRQUPOIZ-AWEZNQCLSA-N 2 2 333.432 1.071 20 0 EDADLP O=S(=O)(N[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1)c1cccc(F)c1 ZINC000647884476 452623009 /nfs/dbraw/zinc/62/30/09/452623009.db2.gz UPMRWOMICAFHHX-HIFRSBDPSA-N 2 2 341.452 1.178 20 0 EDADLP O=S(=O)(N[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1)c1cccc(F)c1 ZINC000647884476 452623016 /nfs/dbraw/zinc/62/30/16/452623016.db2.gz UPMRWOMICAFHHX-HIFRSBDPSA-N 2 2 341.452 1.178 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666131690 452626930 /nfs/dbraw/zinc/62/69/30/452626930.db2.gz HNSLCPOJJGZEDH-HNNXBMFYSA-N 2 2 329.404 1.709 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([NH+]3CCC(C)([NH3+])CC3)C2=O)c1 ZINC000647924956 452662375 /nfs/dbraw/zinc/66/23/75/452662375.db2.gz YFSFKELMCRVNIH-INIZCTEOSA-N 2 2 333.432 1.622 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925844 452664173 /nfs/dbraw/zinc/66/41/73/452664173.db2.gz ZNCBIKUOYYJRFM-ZIAGYGMSSA-N 2 2 333.432 1.144 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647938348 452677915 /nfs/dbraw/zinc/67/79/15/452677915.db2.gz KKHSOGMXVHHIGE-BBRMVZONSA-N 2 2 332.448 1.434 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647938348 452677922 /nfs/dbraw/zinc/67/79/22/452677922.db2.gz KKHSOGMXVHHIGE-BBRMVZONSA-N 2 2 332.448 1.434 20 0 EDADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666213281 452690166 /nfs/dbraw/zinc/69/01/66/452690166.db2.gz AQBJAUWPJCNLIB-INIZCTEOSA-N 2 2 342.403 1.206 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)cn21 ZINC000655931926 452703150 /nfs/dbraw/zinc/70/31/50/452703150.db2.gz QPZKXSOLXFWGDI-LLVKDONJSA-N 2 2 329.326 1.374 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@@H](C)CO1 ZINC000664033073 452732605 /nfs/dbraw/zinc/73/26/05/452732605.db2.gz REEMERPMTVCACR-WCXIOVBPSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@@H](C)CO1 ZINC000664033073 452732612 /nfs/dbraw/zinc/73/26/12/452732612.db2.gz REEMERPMTVCACR-WCXIOVBPSA-N 2 2 340.512 1.658 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000652584253 452757180 /nfs/dbraw/zinc/75/71/80/452757180.db2.gz JMGYFUCZPQCSLD-UHFFFAOYSA-N 2 2 347.463 1.738 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CCCC(=O)NCC(C)C)CC2)c1 ZINC000659882395 452757677 /nfs/dbraw/zinc/75/76/77/452757677.db2.gz VHPPRGOPDPSFED-UHFFFAOYSA-N 2 2 334.464 1.765 20 0 EDADLP CC1(C)[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1(F)F ZINC000658284609 452830634 /nfs/dbraw/zinc/83/06/34/452830634.db2.gz ZFCBCTXCNXYGGF-HNNXBMFYSA-N 2 2 331.451 1.664 20 0 EDADLP CC1(C)[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1(F)F ZINC000658284609 452830639 /nfs/dbraw/zinc/83/06/39/452830639.db2.gz ZFCBCTXCNXYGGF-HNNXBMFYSA-N 2 2 331.451 1.664 20 0 EDADLP CO[C@@]1(C)C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000662089281 452832511 /nfs/dbraw/zinc/83/25/11/452832511.db2.gz XEGOCHPUEZXGLT-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294361 452835609 /nfs/dbraw/zinc/83/56/09/452835609.db2.gz HENWAGKAKGFLCR-ROUUACIJSA-N 2 2 326.481 1.661 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000662100001 452842596 /nfs/dbraw/zinc/84/25/96/452842596.db2.gz NFZVEWGMOKDHFC-CABCVRRESA-N 2 2 337.468 1.623 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000648173972 452884865 /nfs/dbraw/zinc/88/48/65/452884865.db2.gz LPXSUMPPZCJRGT-HNNXBMFYSA-N 2 2 347.850 1.859 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000645930473 452906861 /nfs/dbraw/zinc/90/68/61/452906861.db2.gz WHPLDASDEOQIOM-WMLDXEAASA-N 2 2 331.460 1.898 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[NH+](C(C)C)CC3)cn21 ZINC000645933616 452911532 /nfs/dbraw/zinc/91/15/32/452911532.db2.gz MDSFOQYNHIGQSK-UHFFFAOYSA-N 2 2 329.448 1.921 20 0 EDADLP CCO[C@@H]1C[N@H+](Cc2cc(O)ccc2Br)C[C@H]1C[NH3+] ZINC000650715168 452947593 /nfs/dbraw/zinc/94/75/93/452947593.db2.gz SHZXDBGAOAGKPR-BXUZGUMPSA-N 2 2 329.238 1.950 20 0 EDADLP CCO[C@@H]1C[N@@H+](Cc2cc(O)ccc2Br)C[C@H]1C[NH3+] ZINC000650715168 452947596 /nfs/dbraw/zinc/94/75/96/452947596.db2.gz SHZXDBGAOAGKPR-BXUZGUMPSA-N 2 2 329.238 1.950 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@@H+](C2CC2)C1 ZINC000650781366 452992526 /nfs/dbraw/zinc/99/25/26/452992526.db2.gz CGKBTPJKVCYPAB-VQIMIIECSA-N 2 2 342.487 1.989 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC[N@H+](C2CC2)C1 ZINC000650781366 452992532 /nfs/dbraw/zinc/99/25/32/452992532.db2.gz CGKBTPJKVCYPAB-VQIMIIECSA-N 2 2 342.487 1.989 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC[NH+](C2CC2)C1 ZINC000650781366 452992537 /nfs/dbraw/zinc/99/25/37/452992537.db2.gz CGKBTPJKVCYPAB-VQIMIIECSA-N 2 2 342.487 1.989 20 0 EDADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC[NH+](C2CC2)C1 ZINC000650781366 452992541 /nfs/dbraw/zinc/99/25/41/452992541.db2.gz CGKBTPJKVCYPAB-VQIMIIECSA-N 2 2 342.487 1.989 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC34CCSCC4)C2)CC1 ZINC000648316093 452998711 /nfs/dbraw/zinc/99/87/11/452998711.db2.gz BDFXEXXHBBQWSW-ZBFHGGJFSA-N 2 2 337.533 1.804 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC34CCSCC4)C2)CC1 ZINC000648316093 452998716 /nfs/dbraw/zinc/99/87/16/452998716.db2.gz BDFXEXXHBBQWSW-ZBFHGGJFSA-N 2 2 337.533 1.804 20 0 EDADLP O=C1N[C@H]2C[N@H+](Cc3cc(C4CC4)no3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000662283055 453007481 /nfs/dbraw/zinc/00/74/81/453007481.db2.gz ZVNPXZKVYRVZJG-DLBZAZTESA-N 2 2 345.447 1.272 20 0 EDADLP O=C1N[C@H]2C[N@@H+](Cc3cc(C4CC4)no3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000662283055 453007487 /nfs/dbraw/zinc/00/74/87/453007487.db2.gz ZVNPXZKVYRVZJG-DLBZAZTESA-N 2 2 345.447 1.272 20 0 EDADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccccc1Br ZINC000662285803 453009788 /nfs/dbraw/zinc/00/97/88/453009788.db2.gz IXXSJHBUUMLCIW-UHFFFAOYSA-N 2 2 342.237 1.092 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317078 453033268 /nfs/dbraw/zinc/03/32/68/453033268.db2.gz MNIQGVOYDOWZCT-SFHVURJKSA-N 2 2 333.476 1.688 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317078 453033278 /nfs/dbraw/zinc/03/32/78/453033278.db2.gz MNIQGVOYDOWZCT-SFHVURJKSA-N 2 2 333.476 1.688 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](Cc2ccccc2)C1 ZINC000652882420 453037979 /nfs/dbraw/zinc/03/79/79/453037979.db2.gz SRBOYRXKGDAOLY-HKUYNNGSSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](Cc2ccccc2)C1 ZINC000652882420 453037987 /nfs/dbraw/zinc/03/79/87/453037987.db2.gz SRBOYRXKGDAOLY-HKUYNNGSSA-N 2 2 338.455 1.831 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320175 453038532 /nfs/dbraw/zinc/03/85/32/453038532.db2.gz RTYQFBFGXVMSFM-SFHVURJKSA-N 2 2 333.476 1.654 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320175 453038537 /nfs/dbraw/zinc/03/85/37/453038537.db2.gz RTYQFBFGXVMSFM-SFHVURJKSA-N 2 2 333.476 1.654 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000652884023 453045768 /nfs/dbraw/zinc/04/57/68/453045768.db2.gz ZUYSXRZVTMGYPB-PKOBYXMFSA-N 2 2 344.503 1.008 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000652884023 453045773 /nfs/dbraw/zinc/04/57/73/453045773.db2.gz ZUYSXRZVTMGYPB-PKOBYXMFSA-N 2 2 344.503 1.008 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664405384 453065049 /nfs/dbraw/zinc/06/50/49/453065049.db2.gz IUOHHUMYVRTVTI-BPLDGKMQSA-N 2 2 349.479 1.262 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000664405384 453065059 /nfs/dbraw/zinc/06/50/59/453065059.db2.gz IUOHHUMYVRTVTI-BPLDGKMQSA-N 2 2 349.479 1.262 20 0 EDADLP C[NH2+]C[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000644153951 453087316 /nfs/dbraw/zinc/08/73/16/453087316.db2.gz BVVYIZDLHPXBHA-AWEZNQCLSA-N 2 2 332.448 1.145 20 0 EDADLP CC[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000652908833 453091581 /nfs/dbraw/zinc/09/15/81/453091581.db2.gz LLTALWGIQZKZHQ-JKSUJKDBSA-N 2 2 337.468 1.273 20 0 EDADLP CC[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000652908833 453091589 /nfs/dbraw/zinc/09/15/89/453091589.db2.gz LLTALWGIQZKZHQ-JKSUJKDBSA-N 2 2 337.468 1.273 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3cnnn3C3CC[NH2+]CC3)cn2c1 ZINC000662399562 453108353 /nfs/dbraw/zinc/10/83/53/453108353.db2.gz VKCLHOJKAYUHLR-UHFFFAOYSA-N 2 2 339.403 1.089 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)Nc3ccc(N4CC[NH2+]CC4)cn3)ccn12 ZINC000662408062 453119879 /nfs/dbraw/zinc/11/98/79/453119879.db2.gz OVEUXRAXFPSULU-UHFFFAOYSA-N 2 2 336.399 1.700 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000664497614 453141354 /nfs/dbraw/zinc/14/13/54/453141354.db2.gz ZDABRPXESXSEHO-IPMKNSEASA-N 2 2 344.503 1.898 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000664497614 453141359 /nfs/dbraw/zinc/14/13/59/453141359.db2.gz ZDABRPXESXSEHO-IPMKNSEASA-N 2 2 344.503 1.898 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCO1 ZINC000662434179 453142801 /nfs/dbraw/zinc/14/28/01/453142801.db2.gz KGHLVZRYVJZIHE-KRWDZBQOSA-N 2 2 345.487 1.906 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCO1 ZINC000662434179 453142804 /nfs/dbraw/zinc/14/28/04/453142804.db2.gz KGHLVZRYVJZIHE-KRWDZBQOSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](C)CO1 ZINC000664504370 453146717 /nfs/dbraw/zinc/14/67/17/453146717.db2.gz HBLFFJPHRYAJMN-NUWOQIAWSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](C)CO1 ZINC000664504370 453146729 /nfs/dbraw/zinc/14/67/29/453146729.db2.gz HBLFFJPHRYAJMN-NUWOQIAWSA-N 2 2 340.512 1.515 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000655032261 453154924 /nfs/dbraw/zinc/15/49/24/453154924.db2.gz QHJWDYLMUMJHTF-MRXNPFEDSA-N 2 2 340.431 1.118 20 0 EDADLP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000655032261 453154926 /nfs/dbraw/zinc/15/49/26/453154926.db2.gz QHJWDYLMUMJHTF-MRXNPFEDSA-N 2 2 340.431 1.118 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCC1Cc2ccccc2C1 ZINC000664528157 453166658 /nfs/dbraw/zinc/16/66/58/453166658.db2.gz PMVCIVSXZIPEDG-UHFFFAOYSA-N 2 2 346.519 1.974 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCC1Cc2ccccc2C1 ZINC000664528157 453166668 /nfs/dbraw/zinc/16/66/68/453166668.db2.gz PMVCIVSXZIPEDG-UHFFFAOYSA-N 2 2 346.519 1.974 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000664537546 453177103 /nfs/dbraw/zinc/17/71/03/453177103.db2.gz OGUCXQFVBAKHRO-INIZCTEOSA-N 3 2 339.528 1.184 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000664537546 453177108 /nfs/dbraw/zinc/17/71/08/453177108.db2.gz OGUCXQFVBAKHRO-INIZCTEOSA-N 3 2 339.528 1.184 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000651012210 453187813 /nfs/dbraw/zinc/18/78/13/453187813.db2.gz LFCVFEYCXITDFN-WBVHZDCISA-N 2 2 332.448 1.077 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000655106612 453225669 /nfs/dbraw/zinc/22/56/69/453225669.db2.gz QLQQXSHZDUDUDA-GOSISDBHSA-N 2 2 341.459 1.068 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000648741952 453226496 /nfs/dbraw/zinc/22/64/96/453226496.db2.gz BRTXCMDMYHGPJK-QRQLOZEOSA-N 2 2 345.487 1.825 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[NH+]2CCOCC2)cc1 ZINC000648741952 453226503 /nfs/dbraw/zinc/22/65/03/453226503.db2.gz BRTXCMDMYHGPJK-QRQLOZEOSA-N 2 2 345.487 1.825 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000653047758 453232004 /nfs/dbraw/zinc/23/20/04/453232004.db2.gz RGTNKEZQCOONHC-UHFFFAOYSA-N 2 2 340.431 1.205 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660346128 453234815 /nfs/dbraw/zinc/23/48/15/453234815.db2.gz QRVMOBAVVGGZQS-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660346128 453234823 /nfs/dbraw/zinc/23/48/23/453234823.db2.gz QRVMOBAVVGGZQS-FUHWJXTLSA-N 2 2 346.475 1.281 20 0 EDADLP COc1cc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1OC(F)F ZINC000653059043 453234729 /nfs/dbraw/zinc/23/47/29/453234729.db2.gz RLRHBWZDUKJFKE-GFCCVEGCSA-N 2 2 345.390 1.534 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000666917285 453240245 /nfs/dbraw/zinc/24/02/45/453240245.db2.gz NTKNULJCDZQRBA-AWEZNQCLSA-N 2 2 346.466 1.945 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000666917285 453240254 /nfs/dbraw/zinc/24/02/54/453240254.db2.gz NTKNULJCDZQRBA-AWEZNQCLSA-N 2 2 346.466 1.945 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC([C@H](C)[NH3+])CC3)cn21 ZINC000646234861 453245680 /nfs/dbraw/zinc/24/56/80/453245680.db2.gz SFTKNUBZQGOQDV-AWEZNQCLSA-N 2 2 329.448 1.954 20 0 EDADLP Cc1ccc(C)c(OC2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000653078124 453259013 /nfs/dbraw/zinc/25/90/13/453259013.db2.gz WJXLKJSZTVLTOJ-QGZVFWFLSA-N 2 2 333.476 1.952 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(Br)c(F)c1 ZINC000653080732 453260634 /nfs/dbraw/zinc/26/06/34/453260634.db2.gz REESZBIEFGWGQB-GFCCVEGCSA-N 2 2 332.217 1.483 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000653092645 453274506 /nfs/dbraw/zinc/27/45/06/453274506.db2.gz HISUDVUHMGIDFD-GVDBMIGSSA-N 2 2 335.448 1.586 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000653094676 453278643 /nfs/dbraw/zinc/27/86/43/453278643.db2.gz MYGIRCKPDPZJDC-GDBMZVCRSA-N 2 2 335.423 1.526 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCn3cc(C)[nH+]c3C2)c1 ZINC000666964181 453282946 /nfs/dbraw/zinc/28/29/46/453282946.db2.gz BQVRLEPTJMJOFD-UHFFFAOYSA-N 2 2 341.415 1.282 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000653107984 453292318 /nfs/dbraw/zinc/29/23/18/453292318.db2.gz FHQHHTHHKXWXMU-MRXNPFEDSA-N 2 2 341.415 1.551 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000653109944 453295826 /nfs/dbraw/zinc/29/58/26/453295826.db2.gz SEUQHGKOVOIKMB-KRWDZBQOSA-N 3 2 332.492 1.219 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000653109944 453295830 /nfs/dbraw/zinc/29/58/30/453295830.db2.gz SEUQHGKOVOIKMB-KRWDZBQOSA-N 3 2 332.492 1.219 20 0 EDADLP Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653112361 453299348 /nfs/dbraw/zinc/29/93/48/453299348.db2.gz WGGVQMLFKSZWRP-XJKSGUPXSA-N 2 2 329.448 1.516 20 0 EDADLP Cc1cc(N2CCSCC2)ccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653114349 453301148 /nfs/dbraw/zinc/30/11/48/453301148.db2.gz FNAFZNFLBGRDIS-OAHLLOKOSA-N 2 2 336.505 1.766 20 0 EDADLP CCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000660431451 453303296 /nfs/dbraw/zinc/30/32/96/453303296.db2.gz IGNWLQLSQWVAIM-MRXNPFEDSA-N 2 2 331.464 1.834 20 0 EDADLP CCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000660431451 453303305 /nfs/dbraw/zinc/30/33/05/453303305.db2.gz IGNWLQLSQWVAIM-MRXNPFEDSA-N 2 2 331.464 1.834 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)c1 ZINC000653117647 453305680 /nfs/dbraw/zinc/30/56/80/453305680.db2.gz SCNICYFZCDQRTM-MAUKXSAKSA-N 2 2 348.491 1.179 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)c1 ZINC000653117647 453305684 /nfs/dbraw/zinc/30/56/84/453305684.db2.gz SCNICYFZCDQRTM-MAUKXSAKSA-N 3 2 348.491 1.179 20 0 EDADLP c1nc(N2CCOCC2)cc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH+]1 ZINC000656609678 453317565 /nfs/dbraw/zinc/31/75/65/453317565.db2.gz WGNKINCQISUAEK-MRXNPFEDSA-N 2 2 331.464 1.529 20 0 EDADLP c1nc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000656609678 453317573 /nfs/dbraw/zinc/31/75/73/453317573.db2.gz WGNKINCQISUAEK-MRXNPFEDSA-N 2 2 331.464 1.529 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000653124865 453318624 /nfs/dbraw/zinc/31/86/24/453318624.db2.gz JNPBVEPKHUELMU-MSOLQXFVSA-N 3 2 348.535 1.584 20 0 EDADLP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000653163774 453356708 /nfs/dbraw/zinc/35/67/08/453356708.db2.gz RTAAYPPNOQLKQO-LPHOPBHVSA-N 2 2 346.475 1.507 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000655241836 453359930 /nfs/dbraw/zinc/35/99/30/453359930.db2.gz SEFLBQURYFKAFI-TTZDDIAXSA-N 2 2 334.464 1.368 20 0 EDADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000655241836 453359936 /nfs/dbraw/zinc/35/99/36/453359936.db2.gz SEFLBQURYFKAFI-TTZDDIAXSA-N 2 2 334.464 1.368 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000656694747 453369411 /nfs/dbraw/zinc/36/94/11/453369411.db2.gz RGAJIDBTNRDQNP-SFHVURJKSA-N 2 2 333.476 1.582 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000656694747 453369418 /nfs/dbraw/zinc/36/94/18/453369418.db2.gz RGAJIDBTNRDQNP-SFHVURJKSA-N 2 2 333.476 1.582 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662667714 453380578 /nfs/dbraw/zinc/38/05/78/453380578.db2.gz DGNOZEBMUOMPIG-XJKSGUPXSA-N 2 2 341.402 1.438 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662667714 453380587 /nfs/dbraw/zinc/38/05/87/453380587.db2.gz DGNOZEBMUOMPIG-XJKSGUPXSA-N 2 2 341.402 1.438 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662681342 453402275 /nfs/dbraw/zinc/40/22/75/453402275.db2.gz FLFADACBBDTWPR-AWEZNQCLSA-N 2 2 343.435 1.220 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CO)C3CCC3)CC2)CC1 ZINC000660575947 453414687 /nfs/dbraw/zinc/41/46/87/453414687.db2.gz YOUGBPPEAVKOLZ-QGZVFWFLSA-N 2 2 338.496 1.005 20 0 EDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)C[NH+]1CCOCC1 ZINC000662702311 453423424 /nfs/dbraw/zinc/42/34/24/453423424.db2.gz YJVNTLPONJONHG-ABAIWWIYSA-N 2 2 327.375 1.049 20 0 EDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000662717988 453441861 /nfs/dbraw/zinc/44/18/61/453441861.db2.gz UUXMDZZSTDOUQK-JYJNAYRXSA-N 2 2 339.386 1.022 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cnc(N(C)C)nc2)cc1 ZINC000656789981 453446517 /nfs/dbraw/zinc/44/65/17/453446517.db2.gz GNCWJONQZIQLFP-ROUUACIJSA-N 2 2 341.459 1.787 20 0 EDADLP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000656790384 453447679 /nfs/dbraw/zinc/44/76/79/453447679.db2.gz ZMWXYQCGZOHDPY-BMGDILEWSA-N 3 2 348.466 1.058 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)CC1 ZINC000664872076 453458197 /nfs/dbraw/zinc/45/81/97/453458197.db2.gz SYIMGIPBDHQBBG-UHFFFAOYSA-N 2 2 347.507 1.405 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2Cc3cnn(C)c3CC(C)(C)C2)CC1 ZINC000664872076 453458200 /nfs/dbraw/zinc/45/82/00/453458200.db2.gz SYIMGIPBDHQBBG-UHFFFAOYSA-N 2 2 347.507 1.405 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000660642258 453484460 /nfs/dbraw/zinc/48/44/60/453484460.db2.gz OHSJBJZESXUVIJ-KRWDZBQOSA-N 2 2 337.489 1.512 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000660642258 453484467 /nfs/dbraw/zinc/48/44/67/453484467.db2.gz OHSJBJZESXUVIJ-KRWDZBQOSA-N 2 2 337.489 1.512 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000660642258 453484473 /nfs/dbraw/zinc/48/44/73/453484473.db2.gz OHSJBJZESXUVIJ-KRWDZBQOSA-N 2 2 337.489 1.512 20 0 EDADLP CNS(=O)(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000660642258 453484480 /nfs/dbraw/zinc/48/44/80/453484480.db2.gz OHSJBJZESXUVIJ-KRWDZBQOSA-N 2 2 337.489 1.512 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1(C)C ZINC000662755790 453492249 /nfs/dbraw/zinc/49/22/49/453492249.db2.gz FXWFUDSDGKTFIT-HUUCEWRRSA-N 2 2 342.447 1.764 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1[nH+]ccn1C ZINC000667246785 453506805 /nfs/dbraw/zinc/50/68/05/453506805.db2.gz QCOQDIKBTITJHG-GJZGRUSLSA-N 2 2 335.452 1.377 20 0 EDADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1[nH+]ccn1C ZINC000667256034 453517275 /nfs/dbraw/zinc/51/72/75/453517275.db2.gz CAJKCKRKHSVBJY-FPCVCCKLSA-N 2 2 349.479 1.764 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000660691916 453517573 /nfs/dbraw/zinc/51/75/73/453517573.db2.gz IAQVFIABVGZKFJ-INIZCTEOSA-N 2 2 325.497 1.460 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442513 453529584 /nfs/dbraw/zinc/52/95/84/453529584.db2.gz SCCNQPPXTJYVOR-IIDMSEBBSA-N 2 2 349.500 1.627 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)c[nH+]2)CCO1 ZINC000655443882 453530167 /nfs/dbraw/zinc/53/01/67/453530167.db2.gz AVKFJHKXTBMIKR-IDHHARJASA-N 2 2 344.459 1.313 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445719 453531662 /nfs/dbraw/zinc/53/16/62/453531662.db2.gz JZCFGRJIEKWLCR-PKOBYXMFSA-N 2 2 329.444 1.847 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655445353 453531674 /nfs/dbraw/zinc/53/16/74/453531674.db2.gz RWWXVLLORPSLCU-APWZRJJASA-N 2 2 329.444 1.847 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000662797228 453532363 /nfs/dbraw/zinc/53/23/63/453532363.db2.gz HQMZNPMZYDTYFO-MSQAHXEGSA-N 2 2 339.386 1.190 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000662797228 453532369 /nfs/dbraw/zinc/53/23/69/453532369.db2.gz HQMZNPMZYDTYFO-MSQAHXEGSA-N 2 2 339.386 1.190 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CCF)C3)C2)CC1 ZINC000660711368 453539221 /nfs/dbraw/zinc/53/92/21/453539221.db2.gz DDGNWEVWJNBEQH-JKSUJKDBSA-N 2 2 340.487 1.936 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC[C@@H](CCF)C3)C2)CC1 ZINC000660711368 453539225 /nfs/dbraw/zinc/53/92/25/453539225.db2.gz DDGNWEVWJNBEQH-JKSUJKDBSA-N 2 2 340.487 1.936 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662849337 453569754 /nfs/dbraw/zinc/56/97/54/453569754.db2.gz IFXBEAGUGBBTHN-OWLYRPNTSA-N 2 2 329.444 1.096 20 0 EDADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662849337 453569759 /nfs/dbraw/zinc/56/97/59/453569759.db2.gz IFXBEAGUGBBTHN-OWLYRPNTSA-N 2 2 329.444 1.096 20 0 EDADLP CN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901663 453596289 /nfs/dbraw/zinc/59/62/89/453596289.db2.gz YBQOEWOHRPIUPU-AWEZNQCLSA-N 3 2 349.479 1.109 20 0 EDADLP CN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901663 453596292 /nfs/dbraw/zinc/59/62/92/453596292.db2.gz YBQOEWOHRPIUPU-AWEZNQCLSA-N 3 2 349.479 1.109 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000660847942 453604711 /nfs/dbraw/zinc/60/47/11/453604711.db2.gz FTXWSKSJUVUHNM-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000660847942 453604713 /nfs/dbraw/zinc/60/47/13/453604713.db2.gz FTXWSKSJUVUHNM-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000660847942 453604716 /nfs/dbraw/zinc/60/47/16/453604716.db2.gz FTXWSKSJUVUHNM-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000660847942 453604719 /nfs/dbraw/zinc/60/47/19/453604719.db2.gz FTXWSKSJUVUHNM-CQSZACIVSA-N 2 2 326.485 1.269 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2=O)cc1 ZINC000665240472 453619781 /nfs/dbraw/zinc/61/97/81/453619781.db2.gz LLIAMVCPLOEYLW-LSBZLQRGSA-N 2 2 345.443 1.157 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000659113674 453644002 /nfs/dbraw/zinc/64/40/02/453644002.db2.gz PWBJBZBSPWTZHJ-JTQLQIEISA-N 2 2 329.404 1.113 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000659133934 453649831 /nfs/dbraw/zinc/64/98/31/453649831.db2.gz YFYQAWPGNQYKKP-HUUCEWRRSA-N 2 2 347.463 1.452 20 0 EDADLP CC(C)n1cnc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000657072249 453662086 /nfs/dbraw/zinc/66/20/86/453662086.db2.gz YQDZCZHITLBYDV-AWEZNQCLSA-N 2 2 345.513 1.014 20 0 EDADLP CC(C)n1cnc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657072249 453662088 /nfs/dbraw/zinc/66/20/88/453662088.db2.gz YQDZCZHITLBYDV-AWEZNQCLSA-N 2 2 345.513 1.014 20 0 EDADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661094330 453711746 /nfs/dbraw/zinc/71/17/46/453711746.db2.gz CUUZZHRYVKAPRR-JKSUJKDBSA-N 2 2 338.496 1.223 20 0 EDADLP OCCOCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000661095623 453712671 /nfs/dbraw/zinc/71/26/71/453712671.db2.gz IMFYQOPZLYGQDG-UHFFFAOYSA-N 2 2 348.487 1.882 20 0 EDADLP OCCOCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CCC1 ZINC000661095623 453712676 /nfs/dbraw/zinc/71/26/76/453712676.db2.gz IMFYQOPZLYGQDG-UHFFFAOYSA-N 2 2 348.487 1.882 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205103 453758514 /nfs/dbraw/zinc/75/85/14/453758514.db2.gz PGYJKVZQTCICIV-HUUCEWRRSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205103 453758517 /nfs/dbraw/zinc/75/85/17/453758517.db2.gz PGYJKVZQTCICIV-HUUCEWRRSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205103 453758519 /nfs/dbraw/zinc/75/85/19/453758519.db2.gz PGYJKVZQTCICIV-HUUCEWRRSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205103 453758523 /nfs/dbraw/zinc/75/85/23/453758523.db2.gz PGYJKVZQTCICIV-HUUCEWRRSA-N 2 2 331.464 1.688 20 0 EDADLP O=C(c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1)N1CCOCC1 ZINC000657297155 453759574 /nfs/dbraw/zinc/75/95/74/453759574.db2.gz DTUXKLIHWMQOTH-UHFFFAOYSA-N 2 2 340.427 1.592 20 0 EDADLP Cc1ccccc1CNC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663304869 453762725 /nfs/dbraw/zinc/76/27/25/453762725.db2.gz UINCFQPZJKCXLB-QFBILLFUSA-N 2 2 345.487 1.843 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH2+]Cc3c[nH+]c4n3CCC4)C2=O)cc1 ZINC000657362701 453775127 /nfs/dbraw/zinc/77/51/27/453775127.db2.gz GFMGFRFMEQRHOS-KRWDZBQOSA-N 2 2 340.427 1.729 20 0 EDADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000663365271 453780801 /nfs/dbraw/zinc/78/08/01/453780801.db2.gz OWSCWJNONBGNPR-DLBZAZTESA-N 2 2 335.448 1.459 20 0 EDADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000663365271 453780802 /nfs/dbraw/zinc/78/08/02/453780802.db2.gz OWSCWJNONBGNPR-DLBZAZTESA-N 2 2 335.448 1.459 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000663371973 453782250 /nfs/dbraw/zinc/78/22/50/453782250.db2.gz CXLKUXQCTMYWIX-HUUCEWRRSA-N 2 2 331.382 1.315 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000663371973 453782253 /nfs/dbraw/zinc/78/22/53/453782253.db2.gz CXLKUXQCTMYWIX-HUUCEWRRSA-N 2 2 331.382 1.315 20 0 EDADLP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000680009159 486694368 /nfs/dbraw/zinc/69/43/68/486694368.db2.gz AUNONXDPIIDIGT-OAHLLOKOSA-N 2 2 342.443 1.765 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000578075960 486781233 /nfs/dbraw/zinc/78/12/33/486781233.db2.gz SCADKDNRQDKIPA-OIISXLGYSA-N 2 2 337.489 1.445 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000578075960 486781239 /nfs/dbraw/zinc/78/12/39/486781239.db2.gz SCADKDNRQDKIPA-OIISXLGYSA-N 2 2 337.489 1.445 20 0 EDADLP COC[C@@H](C)Oc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000667464186 486791304 /nfs/dbraw/zinc/79/13/04/486791304.db2.gz JTKBSVRWTKPCGH-MRXNPFEDSA-N 2 2 336.476 1.989 20 0 EDADLP COC[C@@H](C)Oc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000667464186 486791308 /nfs/dbraw/zinc/79/13/08/486791308.db2.gz JTKBSVRWTKPCGH-MRXNPFEDSA-N 2 2 336.476 1.989 20 0 EDADLP C[NH2+]CCN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417590829 486802058 /nfs/dbraw/zinc/80/20/58/486802058.db2.gz WPLOKSYDDSXSPH-CYBMUJFWSA-N 2 2 340.418 1.790 20 0 EDADLP C[NH2+]CCN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417590829 486802062 /nfs/dbraw/zinc/80/20/62/486802062.db2.gz WPLOKSYDDSXSPH-CYBMUJFWSA-N 2 2 340.418 1.790 20 0 EDADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676844932 486901921 /nfs/dbraw/zinc/90/19/21/486901921.db2.gz UOVPEOURMGCSKK-DJIMGWMZSA-N 2 2 332.448 1.205 20 0 EDADLP Cc1nc(N2CCC[C@H]([NH+](C)C)C2)cc(N2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000676876516 486915595 /nfs/dbraw/zinc/91/55/95/486915595.db2.gz CCCYNGIGAGPUDQ-IRXDYDNUSA-N 3 2 346.523 1.846 20 0 EDADLP CN(C)c1ccc(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)c[nH+]1 ZINC000667792250 486967027 /nfs/dbraw/zinc/96/70/27/486967027.db2.gz RSBWLHKBJWUGSJ-UHFFFAOYSA-N 2 2 326.404 1.510 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673289830 486976069 /nfs/dbraw/zinc/97/60/69/486976069.db2.gz WRRMDQBFKGPKAR-KRWDZBQOSA-N 2 2 346.475 1.088 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673289830 486976072 /nfs/dbraw/zinc/97/60/72/486976072.db2.gz WRRMDQBFKGPKAR-KRWDZBQOSA-N 2 2 346.475 1.088 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000677218946 487013633 /nfs/dbraw/zinc/01/36/33/487013633.db2.gz OBMOIEJYESBGAU-AWEZNQCLSA-N 2 2 341.415 1.363 20 0 EDADLP CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000677218946 487013636 /nfs/dbraw/zinc/01/36/36/487013636.db2.gz OBMOIEJYESBGAU-AWEZNQCLSA-N 2 2 341.415 1.363 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C1 ZINC000677362704 487055739 /nfs/dbraw/zinc/05/57/39/487055739.db2.gz INNNHTXEDHUREQ-WBVHZDCISA-N 2 2 339.443 1.796 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C1 ZINC000677362704 487055745 /nfs/dbraw/zinc/05/57/45/487055745.db2.gz INNNHTXEDHUREQ-WBVHZDCISA-N 2 2 339.443 1.796 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc4c[nH]nc4c3)C2)CC1 ZINC000684441041 487060573 /nfs/dbraw/zinc/06/05/73/487060573.db2.gz UVNDBQWVYGKUBI-MRXNPFEDSA-N 2 2 341.459 1.390 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc4c[nH]nc4c3)C2)CC1 ZINC000684441041 487060579 /nfs/dbraw/zinc/06/05/79/487060579.db2.gz UVNDBQWVYGKUBI-MRXNPFEDSA-N 2 2 341.459 1.390 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681552090 487083692 /nfs/dbraw/zinc/08/36/92/487083692.db2.gz XYRBAWNAVSZXKQ-OAHLLOKOSA-N 2 2 339.443 1.621 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCC3CC[NH+](C)CC3)[nH+]c12 ZINC000673773390 487109959 /nfs/dbraw/zinc/10/99/59/487109959.db2.gz FKFBGVDOEIWKNJ-UHFFFAOYSA-N 2 2 329.448 1.826 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)cc2[nH+]1 ZINC000668162125 487124281 /nfs/dbraw/zinc/12/42/81/487124281.db2.gz PEZCCHPOBOTUEW-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP Cc1cn2ccc(NC(=O)N3CC[N@H+](C[C@H](C)O)C[C@H]3C)cc2[nH+]1 ZINC000668162125 487124284 /nfs/dbraw/zinc/12/42/84/487124284.db2.gz PEZCCHPOBOTUEW-KGLIPLIRSA-N 2 2 331.420 1.562 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000677583478 487125878 /nfs/dbraw/zinc/12/58/78/487125878.db2.gz YNBNKHVVJWZIHU-OAHLLOKOSA-N 2 2 337.464 1.650 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccccc1 ZINC000677648460 487140732 /nfs/dbraw/zinc/14/07/32/487140732.db2.gz FIURZZQYEOEHFB-QGZVFWFLSA-N 2 2 333.476 1.595 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccccc1 ZINC000677648460 487140737 /nfs/dbraw/zinc/14/07/37/487140737.db2.gz FIURZZQYEOEHFB-QGZVFWFLSA-N 2 2 333.476 1.595 20 0 EDADLP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000671963350 487160718 /nfs/dbraw/zinc/16/07/18/487160718.db2.gz UWLDLQKVLWSNKL-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP CCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000671963350 487160723 /nfs/dbraw/zinc/16/07/23/487160723.db2.gz UWLDLQKVLWSNKL-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP CCCC[NH+](C)CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000671963350 487160726 /nfs/dbraw/zinc/16/07/26/487160726.db2.gz UWLDLQKVLWSNKL-QGZVFWFLSA-N 2 2 346.475 1.137 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000677729625 487160953 /nfs/dbraw/zinc/16/09/53/487160953.db2.gz GYZNOGAXGCZJRG-MRXNPFEDSA-N 2 2 337.414 1.918 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000677729625 487160957 /nfs/dbraw/zinc/16/09/57/487160957.db2.gz GYZNOGAXGCZJRG-MRXNPFEDSA-N 2 2 337.414 1.918 20 0 EDADLP CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000677905111 487197604 /nfs/dbraw/zinc/19/76/04/487197604.db2.gz OHGIQYAFCWTIDR-QFBILLFUSA-N 2 2 332.492 1.938 20 0 EDADLP CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000677905111 487197606 /nfs/dbraw/zinc/19/76/06/487197606.db2.gz OHGIQYAFCWTIDR-QFBILLFUSA-N 2 2 332.492 1.938 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000674189620 487213619 /nfs/dbraw/zinc/21/36/19/487213619.db2.gz IRUKDYGMGGCTNF-MRXNPFEDSA-N 2 2 347.507 1.853 20 0 EDADLP C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000674189620 487213622 /nfs/dbraw/zinc/21/36/22/487213622.db2.gz IRUKDYGMGGCTNF-MRXNPFEDSA-N 2 2 347.507 1.853 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000677982796 487218936 /nfs/dbraw/zinc/21/89/36/487218936.db2.gz DNPMYWOXVLBYAE-INIZCTEOSA-N 2 2 348.472 1.971 20 0 EDADLP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000677982796 487218940 /nfs/dbraw/zinc/21/89/40/487218940.db2.gz DNPMYWOXVLBYAE-INIZCTEOSA-N 2 2 348.472 1.971 20 0 EDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678218077 487267564 /nfs/dbraw/zinc/26/75/64/487267564.db2.gz AFHOVYZSXYNPDX-UHFFFAOYSA-N 2 2 347.438 1.363 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000682083075 487299837 /nfs/dbraw/zinc/29/98/37/487299837.db2.gz KLUXLHNAXBPTCD-VQTJNVASSA-N 2 2 340.471 1.962 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cccc(F)c3F)C2)CC1 ZINC000674799626 487324537 /nfs/dbraw/zinc/32/45/37/487324537.db2.gz LJHXOZKPYMUMAX-AWEZNQCLSA-N 2 2 337.414 1.792 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cccc(F)c3F)C2)CC1 ZINC000674799626 487324540 /nfs/dbraw/zinc/32/45/40/487324540.db2.gz LJHXOZKPYMUMAX-AWEZNQCLSA-N 2 2 337.414 1.792 20 0 EDADLP CN(C(=O)c1ccn(C(F)F)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678840656 487370571 /nfs/dbraw/zinc/37/05/71/487370571.db2.gz IPEPNMUFBQEFJY-ZDUSSCGKSA-N 2 2 341.406 1.519 20 0 EDADLP CN(C(=O)c1ccn(C(F)F)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678840656 487370573 /nfs/dbraw/zinc/37/05/73/487370573.db2.gz IPEPNMUFBQEFJY-ZDUSSCGKSA-N 2 2 341.406 1.519 20 0 EDADLP COc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CC[NH+](C)CC3)oc21 ZINC000678924255 487379370 /nfs/dbraw/zinc/37/93/70/487379370.db2.gz GYMMUINLFWGZNA-CYBMUJFWSA-N 2 2 331.416 1.866 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)[N@H+](C)C1 ZINC000500382742 487395705 /nfs/dbraw/zinc/39/57/05/487395705.db2.gz XJEZDJBVIIERBW-BZSNNMDCSA-N 2 2 331.460 1.091 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)[N@@H+](C)C1 ZINC000500382742 487395706 /nfs/dbraw/zinc/39/57/06/487395706.db2.gz XJEZDJBVIIERBW-BZSNNMDCSA-N 2 2 331.460 1.091 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)[NH+](C)C1 ZINC000500382742 487395707 /nfs/dbraw/zinc/39/57/07/487395707.db2.gz XJEZDJBVIIERBW-BZSNNMDCSA-N 2 2 331.460 1.091 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)[NH+](C)C1 ZINC000500382742 487395708 /nfs/dbraw/zinc/39/57/08/487395708.db2.gz XJEZDJBVIIERBW-BZSNNMDCSA-N 2 2 331.460 1.091 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000679271527 487407605 /nfs/dbraw/zinc/40/76/05/487407605.db2.gz GTOIQLPDDDVGFD-MRXNPFEDSA-N 2 2 341.415 1.204 20 0 EDADLP CC[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCC(F)(F)F ZINC000683182045 487458475 /nfs/dbraw/zinc/45/84/75/487458475.db2.gz VTVHXEUYYVRVPR-LBPRGKRZSA-N 2 2 332.370 1.836 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCC(F)(F)F ZINC000683182045 487458477 /nfs/dbraw/zinc/45/84/77/487458477.db2.gz VTVHXEUYYVRVPR-LBPRGKRZSA-N 2 2 332.370 1.836 20 0 EDADLP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000669542942 485528667 /nfs/dbraw/zinc/52/86/67/485528667.db2.gz UODCACADLWIYGU-HZPDHXFCSA-N 2 2 331.464 1.867 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668406432 485710721 /nfs/dbraw/zinc/71/07/21/485710721.db2.gz URMXCDVNFSMAFV-CQSZACIVSA-N 2 2 327.432 1.500 20 0 EDADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668406432 485710726 /nfs/dbraw/zinc/71/07/26/485710726.db2.gz URMXCDVNFSMAFV-CQSZACIVSA-N 2 2 327.432 1.500 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)NC[C@H]3CCCC[NH2+]3)c[nH+]2)CCO1 ZINC000669162346 485756971 /nfs/dbraw/zinc/75/69/71/485756971.db2.gz YZBFOXKDQQPHAX-GDBMZVCRSA-N 2 2 347.463 1.248 20 0 EDADLP C[C@H](CC[NH3+])NC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000668661162 486009546 /nfs/dbraw/zinc/00/95/46/486009546.db2.gz RLESNCHAFAJTBT-ZIAGYGMSSA-N 2 2 339.509 1.073 20 0 EDADLP [NH3+]CC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCCC1 ZINC000237826399 486009713 /nfs/dbraw/zinc/00/97/13/486009713.db2.gz MZDOBBHLTKKKBC-MSOLQXFVSA-N 2 2 343.471 1.617 20 0 EDADLP [NH3+]CC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCCC1 ZINC000237826399 486009718 /nfs/dbraw/zinc/00/97/18/486009718.db2.gz MZDOBBHLTKKKBC-MSOLQXFVSA-N 2 2 343.471 1.617 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000668690647 486052440 /nfs/dbraw/zinc/05/24/40/486052440.db2.gz XHPBZACEIGXPHK-UHFFFAOYSA-N 2 2 345.447 1.367 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000668690647 486052444 /nfs/dbraw/zinc/05/24/44/486052444.db2.gz XHPBZACEIGXPHK-UHFFFAOYSA-N 2 2 345.447 1.367 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000668776677 486183717 /nfs/dbraw/zinc/18/37/17/486183717.db2.gz KRVKRPIPLBRPEL-IAGOWNOFSA-N 2 2 339.443 1.699 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669484227 486250377 /nfs/dbraw/zinc/25/03/77/486250377.db2.gz KTEXSGLQCHJRIS-YQQAZPJKSA-N 3 2 337.512 1.066 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669484227 486250380 /nfs/dbraw/zinc/25/03/80/486250380.db2.gz KTEXSGLQCHJRIS-YQQAZPJKSA-N 3 2 337.512 1.066 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000668931559 486357319 /nfs/dbraw/zinc/35/73/19/486357319.db2.gz MBJXBIRDZRARBP-YJBOKZPZSA-N 2 2 339.443 1.825 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000670077334 486601172 /nfs/dbraw/zinc/60/11/72/486601172.db2.gz QZNBYDWORUDPBN-UHFFFAOYSA-N 2 2 349.479 1.392 20 0 EDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000228722496 491236615 /nfs/dbraw/zinc/23/66/15/491236615.db2.gz LQAJUPZUJRGLAK-AWEZNQCLSA-N 2 2 345.237 1.580 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)n1C ZINC000073618609 491009095 /nfs/dbraw/zinc/00/90/95/491009095.db2.gz YYYVJEHGFOQARP-MRXNPFEDSA-N 2 2 342.447 1.162 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)n1C ZINC000073618609 491009096 /nfs/dbraw/zinc/00/90/96/491009096.db2.gz YYYVJEHGFOQARP-MRXNPFEDSA-N 2 2 342.447 1.162 20 0 EDADLP Cc1nc(NCc2c[nH+]cn2C)c(NCc2c[nH+]cn2C)nc1C ZINC000519634082 491182400 /nfs/dbraw/zinc/18/24/00/491182400.db2.gz GTECEYOQJUXLOY-UHFFFAOYSA-N 2 2 326.408 1.785 20 0 EDADLP COCCOc1ccc(CNC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631868756 500813225 /nfs/dbraw/zinc/81/32/25/500813225.db2.gz OKUDPROQFFBPTQ-APWZRJJASA-N 2 2 347.459 1.060 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CC1 ZINC000167419730 534081305 /nfs/dbraw/zinc/08/13/05/534081305.db2.gz CWAMIANTNNRUTA-PDWMJMLSSA-N 2 2 343.471 1.713 20 0 EDADLP Cn1ncc2c1nc[nH+]c2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173999010 534838421 /nfs/dbraw/zinc/83/84/21/534838421.db2.gz SGNKSDOTBXWCIY-UHFFFAOYSA-N 2 2 330.436 1.445 20 0 EDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cn4cccnc4n3)CC2)CC1 ZINC000271012735 535196304 /nfs/dbraw/zinc/19/63/04/535196304.db2.gz ZWIOKHAIGWCNAZ-UHFFFAOYSA-N 2 2 342.491 1.720 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C[C@H]1CC ZINC000262673794 535602382 /nfs/dbraw/zinc/60/23/82/535602382.db2.gz SWDAVUDSDSCRTB-QZTJIDSGSA-N 2 2 333.476 1.954 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C[C@H]1CC ZINC000262673794 535602387 /nfs/dbraw/zinc/60/23/87/535602387.db2.gz SWDAVUDSDSCRTB-QZTJIDSGSA-N 2 2 333.476 1.954 20 0 EDADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000269866338 535971902 /nfs/dbraw/zinc/97/19/02/535971902.db2.gz SLKVDSXPQUMLQV-GOSISDBHSA-N 2 2 345.447 1.043 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)CCC3CC[NH2+]CC3)CCCC2)no1 ZINC000262914546 536062536 /nfs/dbraw/zinc/06/25/36/536062536.db2.gz GEKXGCUVHWUGSE-UHFFFAOYSA-N 2 2 349.479 1.797 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)c1ccco1 ZINC000347838193 536133190 /nfs/dbraw/zinc/13/31/90/536133190.db2.gz USABCASKBIIPTA-UONOGXRCSA-N 2 2 331.420 1.641 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000271800287 536331960 /nfs/dbraw/zinc/33/19/60/536331960.db2.gz AQYLTCKJYIQLOJ-UHFFFAOYSA-N 2 2 339.399 1.189 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000271800287 536331961 /nfs/dbraw/zinc/33/19/61/536331961.db2.gz AQYLTCKJYIQLOJ-UHFFFAOYSA-N 2 2 339.399 1.189 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397879 579478885 /nfs/dbraw/zinc/47/88/85/579478885.db2.gz BUUYKBVKUDHQOQ-AWEZNQCLSA-N 2 2 331.468 1.878 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397879 579478887 /nfs/dbraw/zinc/47/88/87/579478887.db2.gz BUUYKBVKUDHQOQ-AWEZNQCLSA-N 2 2 331.468 1.878 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397879 579478889 /nfs/dbraw/zinc/47/88/89/579478889.db2.gz BUUYKBVKUDHQOQ-AWEZNQCLSA-N 2 2 331.468 1.878 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397879 579478891 /nfs/dbraw/zinc/47/88/91/579478891.db2.gz BUUYKBVKUDHQOQ-AWEZNQCLSA-N 2 2 331.468 1.878 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000726801847 578362311 /nfs/dbraw/zinc/36/23/11/578362311.db2.gz NLXMXQYBKNKGTI-QGZVFWFLSA-N 2 2 342.443 1.636 20 0 EDADLP C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000729598551 578583885 /nfs/dbraw/zinc/58/38/85/578583885.db2.gz FNDHHGMAUSAVJX-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2[nH+]ccn2c1 ZINC000731687227 578678236 /nfs/dbraw/zinc/67/82/36/578678236.db2.gz HSPABCDFNGSOKI-INIZCTEOSA-N 2 2 328.416 1.708 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000732159354 578695017 /nfs/dbraw/zinc/69/50/17/578695017.db2.gz UCOJNLWHAKRURU-UHFFFAOYSA-N 2 2 347.507 1.813 20 0 EDADLP Cc1cc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)nc(N)[nH+]1 ZINC000732667875 578723318 /nfs/dbraw/zinc/72/33/18/578723318.db2.gz XTJHQJUQCPAICE-HNNXBMFYSA-N 2 2 347.850 1.876 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736759170 579018230 /nfs/dbraw/zinc/01/82/30/579018230.db2.gz OVNNHGAMZCLXER-LLVKDONJSA-N 2 2 349.464 1.140 20 0 EDADLP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000736759170 579018231 /nfs/dbraw/zinc/01/82/31/579018231.db2.gz OVNNHGAMZCLXER-LLVKDONJSA-N 2 2 349.464 1.140 20 0 EDADLP CC=CC[C@@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000761183792 580050670 /nfs/dbraw/zinc/05/06/70/580050670.db2.gz JHJHXRXDTBMPJL-QGZUEGPWSA-N 2 2 334.464 1.432 20 0 EDADLP Nc1cccc2c1C(=O)N(C[N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)C2=O ZINC000738156842 579165873 /nfs/dbraw/zinc/16/58/73/579165873.db2.gz FSVKJXMSMQIQTR-LBPRGKRZSA-N 2 2 325.372 1.356 20 0 EDADLP Nc1cccc2c1C(=O)N(C[N@H+]1CCC[C@H](n3cc[nH+]c3)C1)C2=O ZINC000738156842 579165874 /nfs/dbraw/zinc/16/58/74/579165874.db2.gz FSVKJXMSMQIQTR-LBPRGKRZSA-N 2 2 325.372 1.356 20 0 EDADLP Cn1c2ccccc2n(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1=O ZINC000738210400 579172836 /nfs/dbraw/zinc/17/28/36/579172836.db2.gz RCELECLOOJMPDD-UHFFFAOYSA-N 2 2 332.448 1.340 20 0 EDADLP CC[C@@H]1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CC1 ZINC000761297819 580054293 /nfs/dbraw/zinc/05/42/93/580054293.db2.gz BZKZECJSIUTJQV-JKSUJKDBSA-N 2 2 334.464 1.360 20 0 EDADLP CC[C@@H]1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CC1 ZINC000761297819 580054294 /nfs/dbraw/zinc/05/42/94/580054294.db2.gz BZKZECJSIUTJQV-JKSUJKDBSA-N 2 2 334.464 1.360 20 0 EDADLP CCc1[nH+]c2ccccc2n1CCNC(=O)CC[NH+]1CCOCC1 ZINC000739743049 579244620 /nfs/dbraw/zinc/24/46/20/579244620.db2.gz RQIVNHFAZACIBT-UHFFFAOYSA-N 2 2 330.432 1.437 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000745699215 579558519 /nfs/dbraw/zinc/55/85/19/579558519.db2.gz WJOHPRWYHYZKEZ-DLBZAZTESA-N 2 2 338.496 1.367 20 0 EDADLP COC[C@]1(C)CC(=O)N(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000746651907 579605073 /nfs/dbraw/zinc/60/50/73/579605073.db2.gz VEYMMWDBIGEGCV-YFHUEUNASA-N 2 2 339.480 1.012 20 0 EDADLP COC[C@]1(C)CC(=O)N(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000746651907 579605074 /nfs/dbraw/zinc/60/50/74/579605074.db2.gz VEYMMWDBIGEGCV-YFHUEUNASA-N 2 2 339.480 1.012 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCO[C@H](C)C2)C[C@H]1C ZINC000748971643 579708892 /nfs/dbraw/zinc/70/88/92/579708892.db2.gz TYIZFYLICIJCKL-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCO[C@H](C)C2)C[C@H]1C ZINC000748971643 579708893 /nfs/dbraw/zinc/70/88/93/579708893.db2.gz TYIZFYLICIJCKL-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C[C@H]1C ZINC000748971643 579708894 /nfs/dbraw/zinc/70/88/94/579708894.db2.gz TYIZFYLICIJCKL-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+]2CCO[C@H](C)C2)C[C@H]1C ZINC000748971643 579708895 /nfs/dbraw/zinc/70/88/95/579708895.db2.gz TYIZFYLICIJCKL-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CC(C)CC(N)=[NH+]OCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000749788740 579739720 /nfs/dbraw/zinc/73/97/20/579739720.db2.gz GRNWWXJLEZYTQO-CQSZACIVSA-N 2 2 328.457 1.004 20 0 EDADLP CC(C)CC(N)=[NH+]OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000749788740 579739721 /nfs/dbraw/zinc/73/97/21/579739721.db2.gz GRNWWXJLEZYTQO-CQSZACIVSA-N 2 2 328.457 1.004 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000778184143 580458120 /nfs/dbraw/zinc/45/81/20/580458120.db2.gz BWMIBOTUHIHVRJ-CYBMUJFWSA-N 2 2 340.855 1.430 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)cc1 ZINC000755381226 579926368 /nfs/dbraw/zinc/92/63/68/579926368.db2.gz PKKJUDREYMPIFO-GDBMZVCRSA-N 2 2 338.411 1.850 20 0 EDADLP Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)C2=O)cc1 ZINC000755381226 579926369 /nfs/dbraw/zinc/92/63/69/579926369.db2.gz PKKJUDREYMPIFO-GDBMZVCRSA-N 2 2 338.411 1.850 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000758241194 579978168 /nfs/dbraw/zinc/97/81/68/579978168.db2.gz SIYILTGBIIVZEW-GOSISDBHSA-N 2 2 327.432 1.748 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000758241194 579978169 /nfs/dbraw/zinc/97/81/69/579978169.db2.gz SIYILTGBIIVZEW-GOSISDBHSA-N 2 2 327.432 1.748 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1nc(CO)n(C2CC2)c1=S ZINC000758350061 579980449 /nfs/dbraw/zinc/98/04/49/579980449.db2.gz IZKWJCAHCZQLLB-UHFFFAOYSA-N 2 2 336.465 1.726 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1nc(CO)n(C2CC2)c1=S ZINC000758350061 579980450 /nfs/dbraw/zinc/98/04/50/579980450.db2.gz IZKWJCAHCZQLLB-UHFFFAOYSA-N 2 2 336.465 1.726 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)OC(C)(C)C)CC2)CC1 ZINC000764868496 580130242 /nfs/dbraw/zinc/13/02/42/580130242.db2.gz GDVZPXAEWDRQSW-UHFFFAOYSA-N 2 2 325.453 1.003 20 0 EDADLP C[C@@H](COc1ccccc1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000765442306 580142591 /nfs/dbraw/zinc/14/25/91/580142591.db2.gz ZDGSWPVYRIRXNY-SFHVURJKSA-N 2 2 347.503 1.840 20 0 EDADLP C[C@@H](COc1ccccc1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000765442306 580142592 /nfs/dbraw/zinc/14/25/92/580142592.db2.gz ZDGSWPVYRIRXNY-SFHVURJKSA-N 2 2 347.503 1.840 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765848643 580152576 /nfs/dbraw/zinc/15/25/76/580152576.db2.gz KBHJAWDABUNPAC-PWSUYJOCSA-N 2 2 336.404 1.256 20 0 EDADLP CCc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000769875239 580247646 /nfs/dbraw/zinc/24/76/46/580247646.db2.gz NYNJJZVZZAIFAH-ZBFHGGJFSA-N 2 2 336.480 1.603 20 0 EDADLP CN(C)c1cc[nH+]c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000770444530 580260690 /nfs/dbraw/zinc/26/06/90/580260690.db2.gz WSJNUSSHMJOLTC-MRXNPFEDSA-N 2 2 327.432 1.856 20 0 EDADLP CN(C)c1cc[nH+]c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000770444530 580260691 /nfs/dbraw/zinc/26/06/91/580260691.db2.gz WSJNUSSHMJOLTC-MRXNPFEDSA-N 2 2 327.432 1.856 20 0 EDADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000774558678 580365597 /nfs/dbraw/zinc/36/55/97/580365597.db2.gz HQAHSMYDFPUUOK-KRWDZBQOSA-N 2 2 336.436 1.273 20 0 EDADLP CCOC(=O)[C@@]1(C)CC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000774558678 580365598 /nfs/dbraw/zinc/36/55/98/580365598.db2.gz HQAHSMYDFPUUOK-KRWDZBQOSA-N 2 2 336.436 1.273 20 0 EDADLP Cn1ccc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000778592772 580468174 /nfs/dbraw/zinc/46/81/74/580468174.db2.gz PENLPNXSRCCWAH-UHFFFAOYSA-N 2 2 343.431 1.424 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000783777163 580606053 /nfs/dbraw/zinc/60/60/53/580606053.db2.gz OGZGIKQPYFSBCY-CVEARBPZSA-N 2 2 339.480 1.203 20 0 EDADLP COc1ccc(C[N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)cc1 ZINC000783975314 580609761 /nfs/dbraw/zinc/60/97/61/580609761.db2.gz VMSCERXTNFZKEW-OAHLLOKOSA-N 2 2 328.416 1.834 20 0 EDADLP COc1ccc(C[N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)cc1 ZINC000783975314 580609762 /nfs/dbraw/zinc/60/97/62/580609762.db2.gz VMSCERXTNFZKEW-OAHLLOKOSA-N 2 2 328.416 1.834 20 0 EDADLP CC(C)COC1CC[NH+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783978384 580609835 /nfs/dbraw/zinc/60/98/35/580609835.db2.gz XXMMSEBZKAYEMV-HNNXBMFYSA-N 2 2 334.464 1.831 20 0 EDADLP CCC[N@H+](C[C@@H]1CCCCO1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783986140 580610275 /nfs/dbraw/zinc/61/02/75/580610275.db2.gz CHKNQFUYXLMIDD-HOTGVXAUSA-N 2 2 334.464 1.975 20 0 EDADLP CCC[N@@H+](C[C@@H]1CCCCO1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783986140 580610276 /nfs/dbraw/zinc/61/02/76/580610276.db2.gz CHKNQFUYXLMIDD-HOTGVXAUSA-N 2 2 334.464 1.975 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCCn2cc[nH+]c2)CC1=O ZINC000785644175 580648601 /nfs/dbraw/zinc/64/86/01/580648601.db2.gz OMDWTHFMOPHZPC-HZPDHXFCSA-N 2 2 348.447 1.149 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)OCCCn2cc[nH+]c2)CC1=O ZINC000785644175 580648602 /nfs/dbraw/zinc/64/86/02/580648602.db2.gz OMDWTHFMOPHZPC-HZPDHXFCSA-N 2 2 348.447 1.149 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)[C@H](C)C1 ZINC000787303953 580692359 /nfs/dbraw/zinc/69/23/59/580692359.db2.gz NOZNFAPRNMTOEP-HZPDHXFCSA-N 2 2 334.526 1.536 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)[C@H](C)C1 ZINC000787303953 580692360 /nfs/dbraw/zinc/69/23/60/580692360.db2.gz NOZNFAPRNMTOEP-HZPDHXFCSA-N 2 2 334.526 1.536 20 0 EDADLP CCN1C(=O)CN(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000788382259 580720167 /nfs/dbraw/zinc/72/01/67/580720167.db2.gz MKHXYTVNYITJFC-UHFFFAOYSA-N 2 2 345.447 1.640 20 0 EDADLP C[N@H+](CCC(=O)N1CC[NH+](CC[S@@](C)=O)CC1)C1CCCCC1 ZINC000791129113 580784769 /nfs/dbraw/zinc/78/47/69/580784769.db2.gz KALQDIDRJNAOEK-HSZRJFAPSA-N 2 2 343.537 1.164 20 0 EDADLP C[N@@H+](CCC(=O)N1CC[NH+](CC[S@@](C)=O)CC1)C1CCCCC1 ZINC000791129113 580784770 /nfs/dbraw/zinc/78/47/70/580784770.db2.gz KALQDIDRJNAOEK-HSZRJFAPSA-N 2 2 343.537 1.164 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000794392555 580890175 /nfs/dbraw/zinc/89/01/75/580890175.db2.gz HVGMNCCVVYYMCJ-CQSZACIVSA-N 2 2 338.452 1.865 20 0 EDADLP OC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1OC(F)(F)F ZINC000796526301 580955724 /nfs/dbraw/zinc/95/57/24/580955724.db2.gz UNCSKYAWLXVCCM-TZMCWYRMSA-N 2 2 348.365 1.665 20 0 EDADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C[C@@H](O)c3ccccc3)[C@H](C)C2)CCO1 ZINC000800337552 581050803 /nfs/dbraw/zinc/05/08/03/581050803.db2.gz DQIVINPSUUIRNK-QWFCFKBJSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C[C@@H](O)c3ccccc3)[C@H](C)C2)CCO1 ZINC000800337552 581050804 /nfs/dbraw/zinc/05/08/04/581050804.db2.gz DQIVINPSUUIRNK-QWFCFKBJSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)CCO1 ZINC000800337552 581050805 /nfs/dbraw/zinc/05/08/05/581050805.db2.gz DQIVINPSUUIRNK-QWFCFKBJSA-N 2 2 347.503 1.447 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C[C@@H](O)c3ccccc3)[C@H](C)C2)CCO1 ZINC000800337552 581050806 /nfs/dbraw/zinc/05/08/06/581050806.db2.gz DQIVINPSUUIRNK-QWFCFKBJSA-N 2 2 347.503 1.447 20 0 EDADLP FC(F)[C@@H]1C[NH+](CCCC[N@@H+]2CCO[C@H](C(F)F)C2)CCO1 ZINC000801562505 581079939 /nfs/dbraw/zinc/07/99/39/581079939.db2.gz AMQXJMKLYCHYOS-RYUDHWBXSA-N 2 2 328.350 1.698 20 0 EDADLP FC(F)[C@@H]1C[NH+](CCCC[N@H+]2CCO[C@H](C(F)F)C2)CCO1 ZINC000801562505 581079940 /nfs/dbraw/zinc/07/99/40/581079940.db2.gz AMQXJMKLYCHYOS-RYUDHWBXSA-N 2 2 328.350 1.698 20 0 EDADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000891908476 590683198 /nfs/dbraw/zinc/68/31/98/590683198.db2.gz XXPCTXRDFXOIEU-GJZGRUSLSA-N 2 2 325.416 1.281 20 0 EDADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000891908476 590683202 /nfs/dbraw/zinc/68/32/02/590683202.db2.gz XXPCTXRDFXOIEU-GJZGRUSLSA-N 2 2 325.416 1.281 20 0 EDADLP O=C(NCC1CC[NH2+]CC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000891977157 590719385 /nfs/dbraw/zinc/71/93/85/590719385.db2.gz XPDXPXFUVNNGEI-KRWDZBQOSA-N 2 2 327.432 1.923 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)N[C@H]1CCC[NH2+]C1 ZINC000892014480 590745353 /nfs/dbraw/zinc/74/53/53/590745353.db2.gz HMJAGOLAWUWIOJ-AWEZNQCLSA-N 2 2 335.477 1.186 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)c1 ZINC000892019215 590749998 /nfs/dbraw/zinc/74/99/98/590749998.db2.gz PGMNCFCGFJCKJH-QZTJIDSGSA-N 2 2 348.491 1.478 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)c1 ZINC000892019215 590750003 /nfs/dbraw/zinc/75/00/03/590750003.db2.gz PGMNCFCGFJCKJH-QZTJIDSGSA-N 2 2 348.491 1.478 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000892078355 590787141 /nfs/dbraw/zinc/78/71/41/590787141.db2.gz OEYPJSVQXCTZOY-UKRRQHHQSA-N 2 2 349.504 1.432 20 0 EDADLP CC(C)(C)c1nc(N2CCC(CC[NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000892140479 590817866 /nfs/dbraw/zinc/81/78/66/590817866.db2.gz KBUCKEZUQLPWQZ-UHFFFAOYSA-N 2 2 348.495 1.690 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000892176512 590846847 /nfs/dbraw/zinc/84/68/47/590846847.db2.gz VQZORDMFZSQQDG-UMVBOHGHSA-N 2 2 344.297 1.398 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2C[C@@]2(C)Br)CC1 ZINC000892176512 590846850 /nfs/dbraw/zinc/84/68/50/590846850.db2.gz VQZORDMFZSQQDG-UMVBOHGHSA-N 2 2 344.297 1.398 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892468511 591038849 /nfs/dbraw/zinc/03/88/49/591038849.db2.gz AABNDNYIHMHQNO-DMKPSLHHSA-N 2 2 343.475 1.836 20 0 EDADLP CO[C@@H]1CC[C@@H]1N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000892521888 591057683 /nfs/dbraw/zinc/05/76/83/591057683.db2.gz IPUHZEFZSXHKEU-DLBZAZTESA-N 2 2 338.496 1.364 20 0 EDADLP CCOC[C@H](C)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893712659 591059589 /nfs/dbraw/zinc/05/95/89/591059589.db2.gz XXZSOIMZAPGHTQ-AWEZNQCLSA-N 2 2 329.485 1.990 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000891472523 591082869 /nfs/dbraw/zinc/08/28/69/591082869.db2.gz NEPFKWXEHVTGGK-KRWDZBQOSA-N 2 2 348.491 1.357 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000891472523 591082873 /nfs/dbraw/zinc/08/28/73/591082873.db2.gz NEPFKWXEHVTGGK-KRWDZBQOSA-N 2 2 348.491 1.357 20 0 EDADLP Nc1cc[nH+]c(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000891503638 591098640 /nfs/dbraw/zinc/09/86/40/591098640.db2.gz GTRWAIPSSVDKGK-UHFFFAOYSA-N 2 2 328.298 1.422 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc[nH+]1 ZINC000891571738 591130814 /nfs/dbraw/zinc/13/08/14/591130814.db2.gz DBDYZLJLXIQJEN-LSDHHAIUSA-N 2 2 337.468 1.428 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc[nH+]1 ZINC000891571738 591130815 /nfs/dbraw/zinc/13/08/15/591130815.db2.gz DBDYZLJLXIQJEN-LSDHHAIUSA-N 2 2 337.468 1.428 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)[nH+]cn1 ZINC000891571738 591130820 /nfs/dbraw/zinc/13/08/20/591130820.db2.gz DBDYZLJLXIQJEN-LSDHHAIUSA-N 2 2 337.468 1.428 20 0 EDADLP CC[C@@H](CO)Nc1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)[nH+]cn1 ZINC000891571738 591130825 /nfs/dbraw/zinc/13/08/25/591130825.db2.gz DBDYZLJLXIQJEN-LSDHHAIUSA-N 2 2 337.468 1.428 20 0 EDADLP COC[C@@H](C)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892733910 591152252 /nfs/dbraw/zinc/15/22/52/591152252.db2.gz XVWLNJWKIZUUII-AWEZNQCLSA-N 2 2 329.485 1.848 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000891619047 591152291 /nfs/dbraw/zinc/15/22/91/591152291.db2.gz JEUHXFAAGDRKPP-WMLDXEAASA-N 2 2 327.432 1.690 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000891619047 591152294 /nfs/dbraw/zinc/15/22/94/591152294.db2.gz JEUHXFAAGDRKPP-WMLDXEAASA-N 2 2 327.432 1.690 20 0 EDADLP CN(C)C(=O)CC[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892751689 591160852 /nfs/dbraw/zinc/16/08/52/591160852.db2.gz ZJJKHWUHPFQACQ-UHFFFAOYSA-N 2 2 342.484 1.043 20 0 EDADLP CCc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)nc(CC)[nH+]1 ZINC000892883842 591216375 /nfs/dbraw/zinc/21/63/75/591216375.db2.gz PMMVXVPDHQCWAR-HNNXBMFYSA-N 2 2 345.491 1.734 20 0 EDADLP CC[NH+]1CCN(CCCC[NH2+]Cc2ncc(C(=O)OC)s2)CC1 ZINC000894174621 591217115 /nfs/dbraw/zinc/21/71/15/591217115.db2.gz WCSVGSPVEXRXLA-UHFFFAOYSA-N 2 2 340.493 1.437 20 0 EDADLP CCN1CC[NH+](CCCC[NH2+]Cc2ncc(C(=O)OC)s2)CC1 ZINC000894174621 591217118 /nfs/dbraw/zinc/21/71/18/591217118.db2.gz WCSVGSPVEXRXLA-UHFFFAOYSA-N 2 2 340.493 1.437 20 0 EDADLP COC(=O)[C@H]1[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(F)F ZINC000894193838 591222253 /nfs/dbraw/zinc/22/22/53/591222253.db2.gz MMWAIMDLKBZHNI-HUUCEWRRSA-N 2 2 339.386 1.690 20 0 EDADLP COC(=O)[C@@H]1[C@H](C[NH2+][C@H](Cc2ccccc2)C[NH+](C)C)C1(F)F ZINC000894199456 591224438 /nfs/dbraw/zinc/22/44/38/591224438.db2.gz KDLUNROGWJTNGU-ILXRZTDVSA-N 2 2 326.387 1.803 20 0 EDADLP CCC1([NH3+])CCN(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000892923872 591226477 /nfs/dbraw/zinc/22/64/77/591226477.db2.gz OSVVWHCYGXCQKS-INIZCTEOSA-N 2 2 338.496 1.496 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000895671484 591248297 /nfs/dbraw/zinc/24/82/97/591248297.db2.gz VIKMQXVAWCVQJP-GOSISDBHSA-N 2 2 344.503 1.798 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000895671484 591248298 /nfs/dbraw/zinc/24/82/98/591248298.db2.gz VIKMQXVAWCVQJP-GOSISDBHSA-N 2 2 344.503 1.798 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC(F)(F)C1 ZINC000895685423 591252754 /nfs/dbraw/zinc/25/27/54/591252754.db2.gz LSMIYOAPHKOWQZ-GOEBONIOSA-N 2 2 331.451 1.806 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000895740634 591262334 /nfs/dbraw/zinc/26/23/34/591262334.db2.gz XUPVZRNSLUBFTK-CRAIPNDOSA-N 2 2 349.475 1.571 20 0 EDADLP Cn1nc(Br)nc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000894464923 591318601 /nfs/dbraw/zinc/31/86/01/591318601.db2.gz VKKGMNIMVMCSOR-UHFFFAOYSA-N 2 2 330.274 1.789 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000896097126 591343844 /nfs/dbraw/zinc/34/38/44/591343844.db2.gz OOFMYNMYNFFVLO-QGZVFWFLSA-N 2 2 349.479 1.407 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000896097126 591343848 /nfs/dbraw/zinc/34/38/48/591343848.db2.gz OOFMYNMYNFFVLO-QGZVFWFLSA-N 2 2 349.479 1.407 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896097126 591343851 /nfs/dbraw/zinc/34/38/51/591343851.db2.gz OOFMYNMYNFFVLO-QGZVFWFLSA-N 2 2 349.479 1.407 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896097126 591343855 /nfs/dbraw/zinc/34/38/55/591343855.db2.gz OOFMYNMYNFFVLO-QGZVFWFLSA-N 2 2 349.479 1.407 20 0 EDADLP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437392 591352206 /nfs/dbraw/zinc/35/22/06/591352206.db2.gz UZSLSADJSFWOHC-WVZRYYJFSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437392 591352210 /nfs/dbraw/zinc/35/22/10/591352210.db2.gz UZSLSADJSFWOHC-WVZRYYJFSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@H](CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437392 591352215 /nfs/dbraw/zinc/35/22/15/591352215.db2.gz UZSLSADJSFWOHC-WVZRYYJFSA-N 2 2 349.479 1.404 20 0 EDADLP C[C@H](CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000898437392 591352220 /nfs/dbraw/zinc/35/22/20/591352220.db2.gz UZSLSADJSFWOHC-WVZRYYJFSA-N 2 2 349.479 1.404 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898504849 591383843 /nfs/dbraw/zinc/38/38/43/591383843.db2.gz SAOZKVFVTVMADR-MRXNPFEDSA-N 2 2 330.407 1.965 20 0 EDADLP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898504849 591383846 /nfs/dbraw/zinc/38/38/46/591383846.db2.gz SAOZKVFVTVMADR-MRXNPFEDSA-N 2 2 330.407 1.965 20 0 EDADLP O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000898549050 591406354 /nfs/dbraw/zinc/40/63/54/591406354.db2.gz DFQPASJOSRUXDU-CEXWTWQISA-N 2 2 346.471 1.743 20 0 EDADLP O[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(OCC[NH+]3CCOCC3)cc1)C2 ZINC000898549050 591406357 /nfs/dbraw/zinc/40/63/57/591406357.db2.gz DFQPASJOSRUXDU-CEXWTWQISA-N 2 2 346.471 1.743 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)[nH]c1C(C)C ZINC000894874867 591453042 /nfs/dbraw/zinc/45/30/42/591453042.db2.gz SHIGFTTWWNYITJ-HNNXBMFYSA-N 2 2 337.464 1.861 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)[nH]c1C(C)C ZINC000894874867 591453044 /nfs/dbraw/zinc/45/30/44/591453044.db2.gz SHIGFTTWWNYITJ-HNNXBMFYSA-N 2 2 337.464 1.861 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)NCc2cn(C)c[nH+]2)CC1 ZINC000898634025 591454932 /nfs/dbraw/zinc/45/49/32/591454932.db2.gz YHMQPNCDSBQVCP-UHFFFAOYSA-N 2 2 327.432 1.756 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000897456280 591461851 /nfs/dbraw/zinc/46/18/51/591461851.db2.gz WTEITPIQTUSRCE-CRAIPNDOSA-N 2 2 349.475 1.259 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000897456280 591461854 /nfs/dbraw/zinc/46/18/54/591461854.db2.gz WTEITPIQTUSRCE-CRAIPNDOSA-N 2 2 349.475 1.259 20 0 EDADLP CC(C)(O)C[NH+]1CCC(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000896427926 591464142 /nfs/dbraw/zinc/46/41/42/591464142.db2.gz ISIXYMZKJPMSHI-CVEARBPZSA-N 2 2 327.538 1.391 20 0 EDADLP CC(C)(O)C[NH+]1CCC(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000896427926 591464146 /nfs/dbraw/zinc/46/41/46/591464146.db2.gz ISIXYMZKJPMSHI-CVEARBPZSA-N 2 2 327.538 1.391 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898719148 591483868 /nfs/dbraw/zinc/48/38/68/591483868.db2.gz CEOBUPVWFDXLDX-GWOFURMSSA-N 2 2 342.237 1.748 20 0 EDADLP Cc1cc(N(C)CC(=O)N2CC[NH+](C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000894956156 591491153 /nfs/dbraw/zinc/49/11/53/591491153.db2.gz UXSLXIRPBCMQBQ-UHFFFAOYSA-N 2 2 340.431 1.057 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNc3nc(N)cc(C)[nH+]3)C2)c1 ZINC000895018731 591528781 /nfs/dbraw/zinc/52/87/81/591528781.db2.gz QYXYNBHTCRIWIW-MRXNPFEDSA-N 2 2 327.432 1.989 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNc3nc(N)cc(C)[nH+]3)C2)c1 ZINC000895018731 591528782 /nfs/dbraw/zinc/52/87/82/591528782.db2.gz QYXYNBHTCRIWIW-MRXNPFEDSA-N 2 2 327.432 1.989 20 0 EDADLP CCO[C@H](CNC(=O)NCc1c(C)[nH+]c2ccccn21)C[NH+](C)C ZINC000896681504 591572710 /nfs/dbraw/zinc/57/27/10/591572710.db2.gz DEVZKPPHRGMLIE-CQSZACIVSA-N 2 2 333.436 1.409 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c[nH+]1 ZINC000897661087 591612090 /nfs/dbraw/zinc/61/20/90/591612090.db2.gz SXBATWUAHDULGT-MRXNPFEDSA-N 2 2 334.464 1.640 20 0 EDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000896796829 591614997 /nfs/dbraw/zinc/61/49/97/591614997.db2.gz IUNUTYMWWLCNBT-AWEZNQCLSA-N 2 2 336.436 1.022 20 0 EDADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000896840715 591628762 /nfs/dbraw/zinc/62/87/62/591628762.db2.gz OSQKZTRFOHEPDX-UHFFFAOYSA-N 2 2 334.386 1.764 20 0 EDADLP O=C(N1CCOCC1)C1([NH2+]Cc2c[nH+]c3n2CCC3)CCCCC1 ZINC000897893723 591710165 /nfs/dbraw/zinc/71/01/65/591710165.db2.gz XQINSZSBQCUCEV-UHFFFAOYSA-N 2 2 332.448 1.481 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899177550 591720084 /nfs/dbraw/zinc/72/00/84/591720084.db2.gz BNGZILREHCONQW-GOSISDBHSA-N 2 2 329.444 1.400 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899177550 591720086 /nfs/dbraw/zinc/72/00/86/591720086.db2.gz BNGZILREHCONQW-GOSISDBHSA-N 2 2 329.444 1.400 20 0 EDADLP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000897986918 591750899 /nfs/dbraw/zinc/75/08/99/591750899.db2.gz KQYTUFHYZTYEKG-LBPRGKRZSA-N 2 2 332.408 1.094 20 0 EDADLP CCCCNc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nc(N)[nH+]1 ZINC000897220439 591775522 /nfs/dbraw/zinc/77/55/22/591775522.db2.gz BFUTUMNJYTXFDV-ZIAGYGMSSA-N 2 2 334.468 1.306 20 0 EDADLP C/C(=C/C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000899960995 591840057 /nfs/dbraw/zinc/84/00/57/591840057.db2.gz IARUGYNRFOBVFO-NOCRFKNCSA-N 2 2 347.459 1.811 20 0 EDADLP O=C(N1CC[NH+](CCOc2ccccc2)CC1)C12CC[NH+](CC1)C2 ZINC000899973032 591845463 /nfs/dbraw/zinc/84/54/63/591845463.db2.gz VUZCPYNNDXRCLF-UHFFFAOYSA-N 2 2 329.444 1.305 20 0 EDADLP C/C(=C\C(=O)N1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCOCC1 ZINC000900007324 591864856 /nfs/dbraw/zinc/86/48/56/591864856.db2.gz JXOZJMJMAMDPQS-JQIJEIRASA-N 2 2 330.432 1.009 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H](O)Cc3ccccc3)nn2)CC1 ZINC000899722156 591918973 /nfs/dbraw/zinc/91/89/73/591918973.db2.gz PVSRRZOGVVPCGM-SFHVURJKSA-N 2 2 329.448 1.066 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197364 591942878 /nfs/dbraw/zinc/94/28/78/591942878.db2.gz WALADONNCPHWJP-UWGWQUPMSA-N 2 2 343.471 1.557 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197364 591942879 /nfs/dbraw/zinc/94/28/79/591942879.db2.gz WALADONNCPHWJP-UWGWQUPMSA-N 2 2 343.471 1.557 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197364 591942881 /nfs/dbraw/zinc/94/28/81/591942881.db2.gz WALADONNCPHWJP-UWGWQUPMSA-N 2 2 343.471 1.557 20 0 EDADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197364 591942882 /nfs/dbraw/zinc/94/28/82/591942882.db2.gz WALADONNCPHWJP-UWGWQUPMSA-N 2 2 343.471 1.557 20 0 EDADLP CON1CC[C@H](O[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000902224506 591948632 /nfs/dbraw/zinc/94/86/32/591948632.db2.gz JRRQOIMTKOJQIK-INIZCTEOSA-N 2 2 346.431 1.681 20 0 EDADLP CCn1c[nH+]c(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1 ZINC000902358062 591986042 /nfs/dbraw/zinc/98/60/42/591986042.db2.gz ACBMUOZXYVXPIA-KRWDZBQOSA-N 2 2 327.432 1.965 20 0 EDADLP CCn1c[nH+]c(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1 ZINC000902358062 591986045 /nfs/dbraw/zinc/98/60/45/591986045.db2.gz ACBMUOZXYVXPIA-KRWDZBQOSA-N 2 2 327.432 1.965 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)C1([NH3+])CC1 ZINC000902385641 591989124 /nfs/dbraw/zinc/98/91/24/591989124.db2.gz XNNLATMCRAMHAO-KZULUSFZSA-N 2 2 342.443 1.881 20 0 EDADLP Nc1ccc(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)c[nH+]1 ZINC000902427687 591993551 /nfs/dbraw/zinc/99/35/51/591993551.db2.gz FNJURCDEGDCXNL-IYBDPMFKSA-N 2 2 336.395 1.281 20 0 EDADLP Nc1ccc(CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)c[nH+]1 ZINC000902427687 591993552 /nfs/dbraw/zinc/99/35/52/591993552.db2.gz FNJURCDEGDCXNL-IYBDPMFKSA-N 2 2 336.395 1.281 20 0 EDADLP Cc1cc(NCCCCCN2CC[NH2+]CC2)nc(-c2ccncc2)[nH+]1 ZINC000900358541 591994332 /nfs/dbraw/zinc/99/43/32/591994332.db2.gz XXCZWYDRQVARJD-UHFFFAOYSA-N 2 2 340.475 1.756 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CC[NH2+]CC[NH2+]CC2)nc[nH+]1 ZINC000900369358 591998732 /nfs/dbraw/zinc/99/87/32/591998732.db2.gz SDXUHMWTYAOVBE-MAUKXSAKSA-N 3 2 348.495 1.091 20 0 EDADLP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CC[NH2+]CC[NH2+]CC2)ncn1 ZINC000900369358 591998735 /nfs/dbraw/zinc/99/87/35/591998735.db2.gz SDXUHMWTYAOVBE-MAUKXSAKSA-N 2 2 348.495 1.091 20 0 EDADLP Clc1ccc(Cc2nnc(N3CC[NH2+]CC[NH2+]CC3)s2)cc1 ZINC000900369628 591998937 /nfs/dbraw/zinc/99/89/37/591998937.db2.gz VMBXTKCVFMSDIF-UHFFFAOYSA-N 2 2 337.880 1.782 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CC[C@@]3(C2)CCCC[NH2+]3)nc[nH+]1 ZINC000900400876 592008383 /nfs/dbraw/zinc/00/83/83/592008383.db2.gz DDUCEESJNWQXHK-CRAIPNDOSA-N 2 2 331.464 1.550 20 0 EDADLP O=c1[nH]ncc(N2CC[C@H]([NH2+][C@H]3CC[NH2+]C34CCCC4)C2)c1Cl ZINC000902518116 592009204 /nfs/dbraw/zinc/00/92/04/592009204.db2.gz KTEJVJPQSFFTAF-AAEUAGOBSA-N 2 2 337.855 1.679 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)[NH+]2CCCC2)o1 ZINC000900492074 592033486 /nfs/dbraw/zinc/03/34/86/592033486.db2.gz NWSRKOUOMFVOAE-VKJFTORMSA-N 2 2 335.448 1.296 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)[NH+]2CCCC2)o1 ZINC000900492074 592033489 /nfs/dbraw/zinc/03/34/89/592033489.db2.gz NWSRKOUOMFVOAE-VKJFTORMSA-N 2 2 335.448 1.296 20 0 EDADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cn(C)nn2)CC1 ZINC000902751448 592057547 /nfs/dbraw/zinc/05/75/47/592057547.db2.gz VFYBFQPEKBIEPM-INIZCTEOSA-N 2 2 342.491 1.803 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cn(C)nn1 ZINC000902766240 592059671 /nfs/dbraw/zinc/05/96/71/592059671.db2.gz ZMBDGXCNXKECKD-LSDHHAIUSA-N 2 2 329.448 1.887 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cn(C)nn1 ZINC000902766240 592059673 /nfs/dbraw/zinc/05/96/73/592059673.db2.gz ZMBDGXCNXKECKD-LSDHHAIUSA-N 2 2 329.448 1.887 20 0 EDADLP COc1ccc2c(c1)C[C@@H](C)C[C@@H]2[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000902776402 592061229 /nfs/dbraw/zinc/06/12/29/592061229.db2.gz KMRLGJWPPXYNLO-KDOFPFPSSA-N 2 2 331.460 1.682 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000900592543 592062330 /nfs/dbraw/zinc/06/23/30/592062330.db2.gz ZFNWPNLCIWSGKI-PXNSSMCTSA-N 2 2 345.487 1.565 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000900592543 592062331 /nfs/dbraw/zinc/06/23/31/592062331.db2.gz ZFNWPNLCIWSGKI-PXNSSMCTSA-N 2 2 345.487 1.565 20 0 EDADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000900592543 592062333 /nfs/dbraw/zinc/06/23/33/592062333.db2.gz ZFNWPNLCIWSGKI-PXNSSMCTSA-N 2 2 345.487 1.565 20 0 EDADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000900592543 592062335 /nfs/dbraw/zinc/06/23/35/592062335.db2.gz ZFNWPNLCIWSGKI-PXNSSMCTSA-N 2 2 345.487 1.565 20 0 EDADLP C/C(=C/C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1)C[NH+]1CCOCC1 ZINC000900597021 592063763 /nfs/dbraw/zinc/06/37/63/592063763.db2.gz HGWQRIGHQDSCGW-KSVUCXBSSA-N 2 2 332.448 1.634 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000900618484 592072470 /nfs/dbraw/zinc/07/24/70/592072470.db2.gz XZYBNKVVNHNZMR-QFBILLFUSA-N 2 2 346.475 1.533 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000900618484 592072472 /nfs/dbraw/zinc/07/24/72/592072472.db2.gz XZYBNKVVNHNZMR-QFBILLFUSA-N 2 2 346.475 1.533 20 0 EDADLP CCS(=O)(=O)NC1CC[NH+](Cc2c(C)cc(C)[nH+]c2C)CC1 ZINC000903012442 592101780 /nfs/dbraw/zinc/10/17/80/592101780.db2.gz MMVAGRNNDHKSQJ-UHFFFAOYSA-N 2 2 325.478 1.911 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903218193 592141083 /nfs/dbraw/zinc/14/10/83/592141083.db2.gz BLQAFPUBQOWDIK-MSOLQXFVSA-N 2 2 337.508 1.474 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903218201 592141286 /nfs/dbraw/zinc/14/12/86/592141286.db2.gz BLQAFPUBQOWDIK-ROUUACIJSA-N 2 2 337.508 1.474 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)C[N@@H+]1C1CC1 ZINC000903237796 592142524 /nfs/dbraw/zinc/14/25/24/592142524.db2.gz QNPMEMZJZFTHDX-MWLCHTKSSA-N 2 2 346.353 1.226 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)C[N@H+]1C1CC1 ZINC000903237796 592142526 /nfs/dbraw/zinc/14/25/26/592142526.db2.gz QNPMEMZJZFTHDX-MWLCHTKSSA-N 2 2 346.353 1.226 20 0 EDADLP C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)([NH+]2CCCCC2)CC1 ZINC000900858277 592149070 /nfs/dbraw/zinc/14/90/70/592149070.db2.gz PTQLZWUBQSVLQN-UHFFFAOYSA-N 3 2 334.508 1.149 20 0 EDADLP CCC/C=C/[C@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000900858250 592149388 /nfs/dbraw/zinc/14/93/88/592149388.db2.gz PACCLWWZGNXAKI-NADMHLTPSA-N 2 2 337.508 1.770 20 0 EDADLP CO[C@@]1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCS(=O)(=O)C1 ZINC000903368699 592161235 /nfs/dbraw/zinc/16/12/35/592161235.db2.gz PNHXMLMZXFYHHQ-RHSMWYFYSA-N 2 2 349.456 1.727 20 0 EDADLP CN(C)C(=O)N1CCC([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903379953 592163870 /nfs/dbraw/zinc/16/38/70/592163870.db2.gz JICOOBOHKNFMAN-KRWDZBQOSA-N 2 2 333.480 1.810 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000903442237 592172574 /nfs/dbraw/zinc/17/25/74/592172574.db2.gz LOYFGXHCBZFIEY-MHORFTMASA-N 2 2 336.524 1.154 20 0 EDADLP Cc1cccc(N2CCN(C(=O)C[NH2+][C@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000903470332 592175277 /nfs/dbraw/zinc/17/52/77/592175277.db2.gz LEGCAQCVXPKIPI-SFHVURJKSA-N 2 2 342.487 1.518 20 0 EDADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000903480258 592176558 /nfs/dbraw/zinc/17/65/58/592176558.db2.gz OJXOMCCQZIQBBC-GMTAPVOTSA-N 2 2 341.253 1.607 20 0 EDADLP [NH3+][C@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[C@H]1C(F)(F)F ZINC000903539690 592201086 /nfs/dbraw/zinc/20/10/86/592201086.db2.gz QILCWPODWKEDDU-OLZOCXBDSA-N 2 2 325.338 1.979 20 0 EDADLP Cc1cc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)ccc1Cl ZINC000903565442 592212049 /nfs/dbraw/zinc/21/20/49/592212049.db2.gz LEEZURGNJGJKLL-UHFFFAOYSA-N 2 2 331.869 1.350 20 0 EDADLP C[NH2+]CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C(C)C ZINC000903572553 592225480 /nfs/dbraw/zinc/22/54/80/592225480.db2.gz XAYSVNLMOBCLHR-UHFFFAOYSA-N 2 2 340.855 1.697 20 0 EDADLP C[NH2+]CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C(C)C ZINC000903572553 592225482 /nfs/dbraw/zinc/22/54/82/592225482.db2.gz XAYSVNLMOBCLHR-UHFFFAOYSA-N 2 2 340.855 1.697 20 0 EDADLP CN(C(=O)c1nccnc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906657495 592240397 /nfs/dbraw/zinc/24/03/97/592240397.db2.gz YENIDQUWKNHZII-CYBMUJFWSA-N 2 2 337.855 1.371 20 0 EDADLP CN(C(=O)c1nccnc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906657495 592240401 /nfs/dbraw/zinc/24/04/01/592240401.db2.gz YENIDQUWKNHZII-CYBMUJFWSA-N 2 2 337.855 1.371 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)ccc1Cl ZINC000907968350 592240806 /nfs/dbraw/zinc/24/08/06/592240806.db2.gz VPYPKSFYXOUFCP-BBRMVZONSA-N 2 2 325.840 1.795 20 0 EDADLP C[NH+](C)Cc1cc(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)ccc1Cl ZINC000907968350 592240809 /nfs/dbraw/zinc/24/08/09/592240809.db2.gz VPYPKSFYXOUFCP-BBRMVZONSA-N 2 2 325.840 1.795 20 0 EDADLP [NH3+][C@]1(CO)CCCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000904402509 592249711 /nfs/dbraw/zinc/24/97/11/592249711.db2.gz QNVTUTWQEVRHIZ-CQSZACIVSA-N 2 2 339.237 1.382 20 0 EDADLP C/C(=C/C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C[NH+]1CCOCC1 ZINC000901157712 592266527 /nfs/dbraw/zinc/26/65/27/592266527.db2.gz PKOLVVWNCRMOSK-QIXHSRNWSA-N 2 2 347.503 1.740 20 0 EDADLP C/C(=C/C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CCOCC1 ZINC000901157712 592266530 /nfs/dbraw/zinc/26/65/30/592266530.db2.gz PKOLVVWNCRMOSK-QIXHSRNWSA-N 2 2 347.503 1.740 20 0 EDADLP COc1cc(CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)cc(OC)c1O ZINC000904486048 592272028 /nfs/dbraw/zinc/27/20/28/592272028.db2.gz QLFRPWNDXQAKBH-CHWSQXEVSA-N 2 2 332.404 1.070 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c[nH+]1 ZINC000901161786 592272142 /nfs/dbraw/zinc/27/21/42/592272142.db2.gz HSLRVGOAMHQIHZ-BZUAXINKSA-N 2 2 334.464 1.637 20 0 EDADLP CN(C(=O)CC1COC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000901201706 592284684 /nfs/dbraw/zinc/28/46/84/592284684.db2.gz SSUIDNGZTTWTSB-MSOLQXFVSA-N 2 2 337.508 1.819 20 0 EDADLP CN(C(=O)CC1COC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000901201706 592284689 /nfs/dbraw/zinc/28/46/89/592284689.db2.gz SSUIDNGZTTWTSB-MSOLQXFVSA-N 2 2 337.508 1.819 20 0 EDADLP O=C(c1cccc(F)c1)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725048 592285313 /nfs/dbraw/zinc/28/53/13/592285313.db2.gz VLZGWMPQYPIPNH-PKOBYXMFSA-N 2 2 347.434 1.352 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903732314 592288422 /nfs/dbraw/zinc/28/84/22/592288422.db2.gz FJHQPRVKWUHSPL-INIZCTEOSA-N 2 2 339.505 1.595 20 0 EDADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@H]2CCCC[NH2+]C2)cc1 ZINC000903732314 592288425 /nfs/dbraw/zinc/28/84/25/592288425.db2.gz FJHQPRVKWUHSPL-INIZCTEOSA-N 2 2 339.505 1.595 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903746328 592293103 /nfs/dbraw/zinc/29/31/03/592293103.db2.gz XVKFMIDKMCSXOB-HZSPNIEDSA-N 2 2 349.397 1.383 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903746328 592293106 /nfs/dbraw/zinc/29/31/06/592293106.db2.gz XVKFMIDKMCSXOB-HZSPNIEDSA-N 2 2 349.397 1.383 20 0 EDADLP C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000901232674 592295529 /nfs/dbraw/zinc/29/55/29/592295529.db2.gz GQPLNKOKJAZGKU-PBYNDEAHSA-N 2 2 343.471 1.827 20 0 EDADLP C/C(=C/C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C[NH+]1CCOCC1 ZINC000901232674 592295533 /nfs/dbraw/zinc/29/55/33/592295533.db2.gz GQPLNKOKJAZGKU-PBYNDEAHSA-N 2 2 343.471 1.827 20 0 EDADLP Cc1sc(C[NH3+])nc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000904645247 592302842 /nfs/dbraw/zinc/30/28/42/592302842.db2.gz VLSKUCMUPFTIJF-GHMZBOCLSA-N 2 2 335.433 1.886 20 0 EDADLP Cc1sc(C[NH3+])nc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000904645247 592302846 /nfs/dbraw/zinc/30/28/46/592302846.db2.gz VLSKUCMUPFTIJF-GHMZBOCLSA-N 2 2 335.433 1.886 20 0 EDADLP CN(CCCC[NH+](C)C)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906749438 592310422 /nfs/dbraw/zinc/31/04/22/592310422.db2.gz LAJRKCYZLNHWHC-UHFFFAOYSA-N 2 2 336.480 1.234 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2C[C@H](OC)C[C@@]2(C)C[NH3+])c2ncccc12 ZINC000903776245 592317968 /nfs/dbraw/zinc/31/79/68/592317968.db2.gz RKDUFEIMTVYLHQ-KUHUBIRLSA-N 2 2 343.427 1.960 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2C[C@H](OC)C[C@@]2(C)C[NH3+])c2ncccc12 ZINC000903776245 592317972 /nfs/dbraw/zinc/31/79/72/592317972.db2.gz RKDUFEIMTVYLHQ-KUHUBIRLSA-N 2 2 343.427 1.960 20 0 EDADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC000908114330 592328215 /nfs/dbraw/zinc/32/82/15/592328215.db2.gz FWJCUWQYZPNBSG-OAHLLOKOSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cnn1C ZINC000903896718 592367296 /nfs/dbraw/zinc/36/72/96/592367296.db2.gz DPHOXOKSWYBCHY-RHSMWYFYSA-N 2 2 334.489 1.981 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccsc3)C2)cnn1C ZINC000903896718 592367302 /nfs/dbraw/zinc/36/73/02/592367302.db2.gz DPHOXOKSWYBCHY-RHSMWYFYSA-N 2 2 334.489 1.981 20 0 EDADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)C3(O)CCC3)CC2)c1 ZINC000905037152 592374590 /nfs/dbraw/zinc/37/45/90/592374590.db2.gz WEYBJCNSLCVOSR-LJQANCHMSA-N 2 2 347.503 1.373 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cnn1C ZINC000903909638 592374959 /nfs/dbraw/zinc/37/49/59/592374959.db2.gz GWXACSUFWBLSDC-ROUUACIJSA-N 3 2 333.524 1.510 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cnn1C ZINC000903909638 592374962 /nfs/dbraw/zinc/37/49/62/592374962.db2.gz GWXACSUFWBLSDC-ROUUACIJSA-N 3 2 333.524 1.510 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cnn1C ZINC000903909638 592374964 /nfs/dbraw/zinc/37/49/64/592374964.db2.gz GWXACSUFWBLSDC-ROUUACIJSA-N 3 2 333.524 1.510 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cnn1C ZINC000903909638 592374966 /nfs/dbraw/zinc/37/49/66/592374966.db2.gz GWXACSUFWBLSDC-ROUUACIJSA-N 3 2 333.524 1.510 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905047857 592378701 /nfs/dbraw/zinc/37/87/01/592378701.db2.gz HLWSEWYTSYPMRQ-KRWDZBQOSA-N 2 2 333.432 1.227 20 0 EDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000906877777 592380365 /nfs/dbraw/zinc/38/03/65/592380365.db2.gz BMSKLQDNQSOQFE-CQSZACIVSA-N 2 2 333.432 1.716 20 0 EDADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000903937965 592387237 /nfs/dbraw/zinc/38/72/37/592387237.db2.gz WHTMYFWZPRRCGC-AAVRWANBSA-N 2 2 333.423 1.101 20 0 EDADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000903937965 592387240 /nfs/dbraw/zinc/38/72/40/592387240.db2.gz WHTMYFWZPRRCGC-AAVRWANBSA-N 2 2 333.423 1.101 20 0 EDADLP C[C@H]1COc2ccccc2C[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903916515 592389551 /nfs/dbraw/zinc/38/95/51/592389551.db2.gz STVIEXLRWIHGQF-GOEBONIOSA-N 2 2 327.432 1.986 20 0 EDADLP C[C@H]1COc2ccccc2C[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903916515 592389556 /nfs/dbraw/zinc/38/95/56/592389556.db2.gz STVIEXLRWIHGQF-GOEBONIOSA-N 2 2 327.432 1.986 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+]Cc2cc(N)cc[nH+]2)cc1OC ZINC000903950431 592394894 /nfs/dbraw/zinc/39/48/94/592394894.db2.gz NTRDQKXSLYAWRT-UHFFFAOYSA-N 2 2 344.415 1.477 20 0 EDADLP C[C@](O)(C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074257 592403290 /nfs/dbraw/zinc/40/32/90/592403290.db2.gz FVKAUURDEVVYES-DCAQKATOSA-N 2 2 332.313 1.388 20 0 EDADLP C[C@](O)(C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C(F)(F)C(F)(F)F ZINC000905074257 592403292 /nfs/dbraw/zinc/40/32/92/592403292.db2.gz FVKAUURDEVVYES-DCAQKATOSA-N 2 2 332.313 1.388 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C[C@@]1(O)CCOC1 ZINC000905116659 592414376 /nfs/dbraw/zinc/41/43/76/592414376.db2.gz IHNXQSNAZRXOPE-FHWLQOOXSA-N 2 2 334.460 1.143 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C[C@@]1(O)CCOC1 ZINC000905116659 592414378 /nfs/dbraw/zinc/41/43/78/592414378.db2.gz IHNXQSNAZRXOPE-FHWLQOOXSA-N 2 2 334.460 1.143 20 0 EDADLP COCC[C@@H]([NH3+])c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000904103002 592425939 /nfs/dbraw/zinc/42/59/39/592425939.db2.gz KRCMPGYCBASOHY-HUUCEWRRSA-N 2 2 332.404 1.679 20 0 EDADLP COCC[C@@H]([NH3+])c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000904103002 592425942 /nfs/dbraw/zinc/42/59/42/592425942.db2.gz KRCMPGYCBASOHY-HUUCEWRRSA-N 2 2 332.404 1.679 20 0 EDADLP C[C@@]1(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)CCC[NH2+]C1 ZINC000904305285 592472711 /nfs/dbraw/zinc/47/27/11/592472711.db2.gz JQUABBWKXLSDMH-LJQANCHMSA-N 2 2 336.524 1.396 20 0 EDADLP C[C@@]1(C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)CCC[NH2+]C1 ZINC000904305285 592472713 /nfs/dbraw/zinc/47/27/13/592472713.db2.gz JQUABBWKXLSDMH-LJQANCHMSA-N 2 2 336.524 1.396 20 0 EDADLP O=S(=O)(CC1CC[NH2+]CC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000905332367 592508383 /nfs/dbraw/zinc/50/83/83/592508383.db2.gz HWZNZRVFAWWPMT-UHFFFAOYSA-N 2 2 338.477 1.101 20 0 EDADLP CC[NH+]1CCC(NC(=O)c2coc(C[N@@H+]3CC[C@H](OC)C3)n2)CC1 ZINC000905380066 592512279 /nfs/dbraw/zinc/51/22/79/592512279.db2.gz IZTZMQBIZGSEMQ-AWEZNQCLSA-N 2 2 336.436 1.109 20 0 EDADLP c1nc(N2CCSCC2)cc(N2CCCC[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000905678594 592609400 /nfs/dbraw/zinc/60/94/00/592609400.db2.gz FCTYBLKSFLOPSH-KRWDZBQOSA-N 2 2 333.505 2.000 20 0 EDADLP c1nc(N2CCCC[C@@]3(CC[NH2+]C3)C2)cc(N2CCSCC2)[nH+]1 ZINC000905678594 592609403 /nfs/dbraw/zinc/60/94/03/592609403.db2.gz FCTYBLKSFLOPSH-KRWDZBQOSA-N 2 2 333.505 2.000 20 0 EDADLP [NH3+][C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[C@H]1C(F)(F)F ZINC000905718640 592622811 /nfs/dbraw/zinc/62/28/11/592622811.db2.gz PSTGBTAQPNITGK-GHMZBOCLSA-N 2 2 347.410 1.746 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000909147761 592748953 /nfs/dbraw/zinc/74/89/53/592748953.db2.gz ZIVRWCKOXSWQNB-VQFNDLOPSA-N 2 2 339.443 1.664 20 0 EDADLP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000910580621 592876550 /nfs/dbraw/zinc/87/65/50/592876550.db2.gz MZUIXQHMFHCLAW-CQSZACIVSA-N 2 2 349.479 1.162 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911935975 593039191 /nfs/dbraw/zinc/03/91/91/593039191.db2.gz SYSDFDFUSMOLNZ-UHFFFAOYSA-N 2 2 344.459 1.514 20 0 EDADLP [NH3+]CC[NH2+]CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000912146611 593065950 /nfs/dbraw/zinc/06/59/50/593065950.db2.gz CCJSOLQTVBEZMF-UHFFFAOYSA-N 2 2 342.230 1.725 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000912522191 593102378 /nfs/dbraw/zinc/10/23/78/593102378.db2.gz OCWXASQOGBUXRO-UHFFFAOYSA-N 2 2 339.443 1.423 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000912522191 593102379 /nfs/dbraw/zinc/10/23/79/593102379.db2.gz OCWXASQOGBUXRO-UHFFFAOYSA-N 2 2 339.443 1.423 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000804142674 593390642 /nfs/dbraw/zinc/39/06/42/593390642.db2.gz DUHYVQJBISSPPY-HOTGVXAUSA-N 2 2 341.415 1.046 20 0 EDADLP C[NH+](C)[C@@H](Cc1ccccc1)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000804142674 593390644 /nfs/dbraw/zinc/39/06/44/593390644.db2.gz DUHYVQJBISSPPY-HOTGVXAUSA-N 2 2 341.415 1.046 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCOCC4)[C@H]3C3CC3)CC[C@@H]21 ZINC000840028362 593392327 /nfs/dbraw/zinc/39/23/27/593392327.db2.gz OMXRUZVLCOLTFW-FGTMMUONSA-N 2 2 347.503 1.778 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C4(CCOCC4)[C@H]3C3CC3)CC[C@@H]21 ZINC000840028362 593392328 /nfs/dbraw/zinc/39/23/28/593392328.db2.gz OMXRUZVLCOLTFW-FGTMMUONSA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)C4(CCOCC4)[C@H]3C3CC3)CC[C@@H]21 ZINC000840028362 593392331 /nfs/dbraw/zinc/39/23/31/593392331.db2.gz OMXRUZVLCOLTFW-FGTMMUONSA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)C4(CCOCC4)[C@H]3C3CC3)CC[C@@H]21 ZINC000840028362 593392335 /nfs/dbraw/zinc/39/23/35/593392335.db2.gz OMXRUZVLCOLTFW-FGTMMUONSA-N 2 2 347.503 1.778 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)C3(CCOCC3)[C@@H]2C2CC2)C1 ZINC000840031806 593395922 /nfs/dbraw/zinc/39/59/22/593395922.db2.gz SRCDMOAVXCSNTB-KSZLIROESA-N 2 2 347.503 1.778 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)C3(CCOCC3)[C@@H]2C2CC2)C1 ZINC000840031806 593395924 /nfs/dbraw/zinc/39/59/24/593395924.db2.gz SRCDMOAVXCSNTB-KSZLIROESA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C(=O)C3(CCOCC3)[C@@H]2C2CC2)C1 ZINC000840031806 593395926 /nfs/dbraw/zinc/39/59/26/593395926.db2.gz SRCDMOAVXCSNTB-KSZLIROESA-N 2 2 347.503 1.778 20 0 EDADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C(=O)C3(CCOCC3)[C@@H]2C2CC2)C1 ZINC000840031806 593395928 /nfs/dbraw/zinc/39/59/28/593395928.db2.gz SRCDMOAVXCSNTB-KSZLIROESA-N 2 2 347.503 1.778 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000811759715 593479765 /nfs/dbraw/zinc/47/97/65/593479765.db2.gz RIMFZSUBKFVHPC-QZWWFDLISA-N 2 2 335.492 1.776 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000811759715 593479766 /nfs/dbraw/zinc/47/97/66/593479766.db2.gz RIMFZSUBKFVHPC-QZWWFDLISA-N 2 2 335.492 1.776 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000811759715 593479767 /nfs/dbraw/zinc/47/97/67/593479767.db2.gz RIMFZSUBKFVHPC-QZWWFDLISA-N 2 2 335.492 1.776 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)CC[C@@H]21 ZINC000811759715 593479768 /nfs/dbraw/zinc/47/97/68/593479768.db2.gz RIMFZSUBKFVHPC-QZWWFDLISA-N 2 2 335.492 1.776 20 0 EDADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000813325092 593526265 /nfs/dbraw/zinc/52/62/65/593526265.db2.gz WDVGOEDHGDTFQN-YJBOKZPZSA-N 2 2 331.460 1.666 20 0 EDADLP COc1ccc([C@H](CNC(=O)Cc2[nH]cc[nH+]2)[NH+]2CCCC2)cc1 ZINC000816808976 593551650 /nfs/dbraw/zinc/55/16/50/593551650.db2.gz GYNVNAJULWDIDC-INIZCTEOSA-N 2 2 328.416 1.914 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NOCCSC)CC2)CC1 ZINC000817783094 593631853 /nfs/dbraw/zinc/63/18/53/593631853.db2.gz WPPXQSGKNBDGKH-UHFFFAOYSA-N 2 2 344.525 1.483 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NOCCSC)CC2)CC1 ZINC000817783094 593631855 /nfs/dbraw/zinc/63/18/55/593631855.db2.gz WPPXQSGKNBDGKH-UHFFFAOYSA-N 2 2 344.525 1.483 20 0 EDADLP CC(C)OC(=O)N1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000817910913 593647895 /nfs/dbraw/zinc/64/78/95/593647895.db2.gz DVIBLKFUWBJYLK-HOTGVXAUSA-N 2 2 325.453 1.352 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2=O)cc1)C1CC1 ZINC000818972047 593731302 /nfs/dbraw/zinc/73/13/02/593731302.db2.gz CBYKHNVQBANBOT-SFHVURJKSA-N 2 2 331.460 1.748 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2=O)cc1)C1CC1 ZINC000818972047 593731303 /nfs/dbraw/zinc/73/13/03/593731303.db2.gz CBYKHNVQBANBOT-SFHVURJKSA-N 2 2 331.460 1.748 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Cl)c(F)c1 ZINC000818987114 593732386 /nfs/dbraw/zinc/73/23/86/593732386.db2.gz STLYKTJQMBRATI-HEHGZKQESA-N 2 2 328.815 1.965 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)c(F)c1 ZINC000818987114 593732387 /nfs/dbraw/zinc/73/23/87/593732387.db2.gz STLYKTJQMBRATI-HEHGZKQESA-N 2 2 328.815 1.965 20 0 EDADLP COc1ccc(C[NH2+]CC[NH+]2CCC(OC)CC2)cc1-c1nn[nH]n1 ZINC000821813526 593946679 /nfs/dbraw/zinc/94/66/79/593946679.db2.gz IGKGMRVFJULGOC-UHFFFAOYSA-N 2 2 346.435 1.076 20 0 EDADLP Cc1ccc(-c2nn[nH]n2)c(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000822215050 594012007 /nfs/dbraw/zinc/01/20/07/594012007.db2.gz JZEXNZBZZDEHMM-BETUJISGSA-N 2 2 331.424 1.481 20 0 EDADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC1)C2 ZINC000821323774 594017315 /nfs/dbraw/zinc/01/73/15/594017315.db2.gz HATJCVGEAPFYKU-HRBLRVMOSA-N 3 2 334.508 1.098 20 0 EDADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC1)C2 ZINC000821323774 594017317 /nfs/dbraw/zinc/01/73/17/594017317.db2.gz HATJCVGEAPFYKU-HRBLRVMOSA-N 3 2 334.508 1.098 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000821323774 594017318 /nfs/dbraw/zinc/01/73/18/594017318.db2.gz HATJCVGEAPFYKU-HRBLRVMOSA-N 3 2 334.508 1.098 20 0 EDADLP C[NH+]1CC[C@H](CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000821323774 594017323 /nfs/dbraw/zinc/01/73/23/594017323.db2.gz HATJCVGEAPFYKU-HRBLRVMOSA-N 3 2 334.508 1.098 20 0 EDADLP CO[C@@H]1CC[C@@H]([NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000821381052 594032881 /nfs/dbraw/zinc/03/28/81/594032881.db2.gz UVLDAWKMRGZBCR-HZPDHXFCSA-N 2 2 347.463 1.003 20 0 EDADLP CO[C@H]1CC[C@H]([NH+]2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000821381051 594032939 /nfs/dbraw/zinc/03/29/39/594032939.db2.gz UVLDAWKMRGZBCR-HOTGVXAUSA-N 2 2 347.463 1.003 20 0 EDADLP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824553282 594037516 /nfs/dbraw/zinc/03/75/16/594037516.db2.gz BAGQQSBZKGVXIH-JQWIXIFHSA-N 2 2 327.367 1.868 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)C[N@H+]1C1CC1 ZINC000824892538 594092197 /nfs/dbraw/zinc/09/21/97/594092197.db2.gz JZTNIFLNXRETRW-TZMCWYRMSA-N 2 2 328.420 1.460 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000822727801 594092438 /nfs/dbraw/zinc/09/24/38/594092438.db2.gz FXXKHBYAOPSMBF-CQSZACIVSA-N 2 2 341.371 1.934 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc([C@H]4CCCC[NH2+]4)n3)cn2)CC1 ZINC000822914075 594121164 /nfs/dbraw/zinc/12/11/64/594121164.db2.gz CDILKXZTSWNRRJ-CQSZACIVSA-N 2 2 328.420 1.698 20 0 EDADLP Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000825180221 594142943 /nfs/dbraw/zinc/14/29/43/594142943.db2.gz KBSAXSQQXCVCNL-AEFFLSMTSA-N 2 2 330.476 1.104 20 0 EDADLP COCC[N@H+]1[C@H](C)CN(C(=O)NCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000825827312 594256641 /nfs/dbraw/zinc/25/66/41/594256641.db2.gz UVSBDLDWOSJPDT-GASCZTMLSA-N 2 2 337.468 1.332 20 0 EDADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NCCCn2cc[nH+]c2C)C[C@@H]1C ZINC000825827312 594256646 /nfs/dbraw/zinc/25/66/46/594256646.db2.gz UVSBDLDWOSJPDT-GASCZTMLSA-N 2 2 337.468 1.332 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000826182675 594366079 /nfs/dbraw/zinc/36/60/79/594366079.db2.gz QRTIPMXCZMTGDU-ZBFHGGJFSA-N 2 2 342.447 1.791 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000826182675 594366080 /nfs/dbraw/zinc/36/60/80/594366080.db2.gz QRTIPMXCZMTGDU-ZBFHGGJFSA-N 2 2 342.447 1.791 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000826182675 594366082 /nfs/dbraw/zinc/36/60/82/594366082.db2.gz QRTIPMXCZMTGDU-ZBFHGGJFSA-N 2 2 342.447 1.791 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000826182675 594366084 /nfs/dbraw/zinc/36/60/84/594366084.db2.gz QRTIPMXCZMTGDU-ZBFHGGJFSA-N 2 2 342.447 1.791 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826310702 594418811 /nfs/dbraw/zinc/41/88/11/594418811.db2.gz FKYKJXODUVWZGF-UHFFFAOYSA-N 2 2 336.403 1.287 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000826363740 594445434 /nfs/dbraw/zinc/44/54/34/594445434.db2.gz AGPXFBDOIDAMHD-CYBMUJFWSA-N 2 2 339.403 1.469 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000826363740 594445436 /nfs/dbraw/zinc/44/54/36/594445436.db2.gz AGPXFBDOIDAMHD-CYBMUJFWSA-N 2 2 339.403 1.469 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826364441 594446309 /nfs/dbraw/zinc/44/63/09/594446309.db2.gz WPXVPYAKGNUDNY-CQSZACIVSA-N 2 2 339.403 1.469 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826364441 594446310 /nfs/dbraw/zinc/44/63/10/594446310.db2.gz WPXVPYAKGNUDNY-CQSZACIVSA-N 2 2 339.403 1.469 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000826818429 594582272 /nfs/dbraw/zinc/58/22/72/594582272.db2.gz RELPLKYOCSAMOB-GVDBMIGSSA-N 2 2 344.459 1.236 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000826818429 594582274 /nfs/dbraw/zinc/58/22/74/594582274.db2.gz RELPLKYOCSAMOB-GVDBMIGSSA-N 2 2 344.459 1.236 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@H+](Cc2ccccc2)C1 ZINC000826943241 594606871 /nfs/dbraw/zinc/60/68/71/594606871.db2.gz WGWZJPJHPNRJSZ-HOJAQTOUSA-N 2 2 348.487 1.655 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@@H+](Cc2ccccc2)C1 ZINC000826943241 594606872 /nfs/dbraw/zinc/60/68/72/594606872.db2.gz WGWZJPJHPNRJSZ-HOJAQTOUSA-N 2 2 348.487 1.655 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3[nH]cnc3C(F)(F)F)C2)CC1 ZINC000827413908 594669651 /nfs/dbraw/zinc/66/96/51/594669651.db2.gz NALKYERCEPVFPK-SNVBAGLBSA-N 2 2 345.369 1.327 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3[nH]cnc3C(F)(F)F)C2)CC1 ZINC000827413908 594669652 /nfs/dbraw/zinc/66/96/52/594669652.db2.gz NALKYERCEPVFPK-SNVBAGLBSA-N 2 2 345.369 1.327 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835296068 594809958 /nfs/dbraw/zinc/80/99/58/594809958.db2.gz CNWCVBXCYUXXCK-INIZCTEOSA-N 2 2 330.388 1.533 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835296068 594809959 /nfs/dbraw/zinc/80/99/59/594809959.db2.gz CNWCVBXCYUXXCK-INIZCTEOSA-N 2 2 330.388 1.533 20 0 EDADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000841100086 594850709 /nfs/dbraw/zinc/85/07/09/594850709.db2.gz TZLVUWUWEWGILI-MJGOQNOKSA-N 3 2 341.459 1.986 20 0 EDADLP C[C@H]1CN(c2ccc(NC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])cc2)CCO1 ZINC000841122965 594854580 /nfs/dbraw/zinc/85/45/80/594854580.db2.gz WGLOUFBQTOMDDZ-WMLDXEAASA-N 2 2 347.463 1.018 20 0 EDADLP COc1ccccc1[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000841667866 594932662 /nfs/dbraw/zinc/93/26/62/594932662.db2.gz GPBRSKNTSDDNBK-CJNGLKHVSA-N 2 2 343.431 1.569 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000841690790 594938527 /nfs/dbraw/zinc/93/85/27/594938527.db2.gz LZJFSAHAVCIYEF-ZFWWWQNUSA-N 2 2 328.420 1.679 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000841838200 594961923 /nfs/dbraw/zinc/96/19/23/594961923.db2.gz REQKMEMJGLIPRX-GOSISDBHSA-N 2 2 345.491 1.854 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)N3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000841838200 594961924 /nfs/dbraw/zinc/96/19/24/594961924.db2.gz REQKMEMJGLIPRX-GOSISDBHSA-N 2 2 345.491 1.854 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000841986679 594995740 /nfs/dbraw/zinc/99/57/40/594995740.db2.gz FIIBPEJPIINUNQ-OLZOCXBDSA-N 2 2 339.509 1.193 20 0 EDADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000842008937 595000984 /nfs/dbraw/zinc/00/09/84/595000984.db2.gz XZKMULXFMCWDQN-HOTGVXAUSA-N 2 2 328.501 1.646 20 0 EDADLP [NH2+]=C(NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1COc2ccccc2O1 ZINC000842036768 595006609 /nfs/dbraw/zinc/00/66/09/595006609.db2.gz XEBYXGCAZXIVLO-ZENOOKHLSA-N 2 2 333.388 1.188 20 0 EDADLP [NH2+]=C(NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1COc2ccccc2O1 ZINC000842036768 595006611 /nfs/dbraw/zinc/00/66/11/595006611.db2.gz XEBYXGCAZXIVLO-ZENOOKHLSA-N 2 2 333.388 1.188 20 0 EDADLP O=C([O-])N[C@H]1CCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000834178527 595042698 /nfs/dbraw/zinc/04/26/98/595042698.db2.gz YTGCXJXPOVHEJE-IRXDYDNUSA-N 2 2 347.463 1.372 20 0 EDADLP Cc1ccc(N2CCC[C@@H]([NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)C2=O)cc1 ZINC000843384998 595095499 /nfs/dbraw/zinc/09/54/99/595095499.db2.gz NSVLXFIRAMFPNY-RTBURBONSA-N 2 2 342.487 1.470 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(N2CCNC2=O)cc1 ZINC000834851032 595230437 /nfs/dbraw/zinc/23/04/37/595230437.db2.gz SGDKLQCDRJWMFT-YJBOKZPZSA-N 2 2 346.475 1.714 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(N2CCNC2=O)cc1 ZINC000834851032 595230441 /nfs/dbraw/zinc/23/04/41/595230441.db2.gz SGDKLQCDRJWMFT-YJBOKZPZSA-N 2 2 346.475 1.714 20 0 EDADLP C[N@@H+]1CCN(N2CCO[C@@H](c3c(F)cccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000843043903 595271316 /nfs/dbraw/zinc/27/13/16/595271316.db2.gz DABIADSAVBCFRR-SWLSCSKDSA-N 2 2 342.846 1.342 20 0 EDADLP C[N@H+]1CCN(N2CCO[C@@H](c3c(F)cccc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000843043903 595271319 /nfs/dbraw/zinc/27/13/19/595271319.db2.gz DABIADSAVBCFRR-SWLSCSKDSA-N 2 2 342.846 1.342 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1F ZINC000843063677 595277800 /nfs/dbraw/zinc/27/78/00/595277800.db2.gz DUNARWODAPPCDX-LPHOPBHVSA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1F ZINC000843063677 595277803 /nfs/dbraw/zinc/27/78/03/595277803.db2.gz DUNARWODAPPCDX-LPHOPBHVSA-N 2 2 332.419 1.942 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843091587 595285047 /nfs/dbraw/zinc/28/50/47/595285047.db2.gz DWLLRSUVHCVUQI-CJNGLKHVSA-N 2 2 330.831 1.949 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843091587 595285048 /nfs/dbraw/zinc/28/50/48/595285048.db2.gz DWLLRSUVHCVUQI-CJNGLKHVSA-N 2 2 330.831 1.949 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000844171127 595290376 /nfs/dbraw/zinc/29/03/76/595290376.db2.gz DVYJQXJGEIYASR-HZPDHXFCSA-N 2 2 344.463 1.849 20 0 EDADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000844171517 595291018 /nfs/dbraw/zinc/29/10/18/595291018.db2.gz JOSNEAUFYJUDTG-UKRRQHHQSA-N 2 2 345.451 1.244 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844192178 595298507 /nfs/dbraw/zinc/29/85/07/595298507.db2.gz UVSMGDPZIKDLTN-RDJZCZTQSA-N 2 2 332.448 1.055 20 0 EDADLP CN(C)c1ccc(N2C(=O)C[C@@H]([NH2+]C[C@@H]3CCC[N@H+](C)C3)C2=O)cc1 ZINC000846701402 595303888 /nfs/dbraw/zinc/30/38/88/595303888.db2.gz FSCGNAZSEAITMQ-WMLDXEAASA-N 2 2 344.459 1.316 20 0 EDADLP CN(C)c1ccc(N2C(=O)C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](C)C3)C2=O)cc1 ZINC000846701402 595303889 /nfs/dbraw/zinc/30/38/89/595303889.db2.gz FSCGNAZSEAITMQ-WMLDXEAASA-N 2 2 344.459 1.316 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCn4cc[nH+]c43)CC2)CC1 ZINC000848158693 595330460 /nfs/dbraw/zinc/33/04/60/595330460.db2.gz WWHZULMHSFIEKF-QGZVFWFLSA-N 3 2 345.491 1.640 20 0 EDADLP CCN1C[C@@H](CN2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)OC1=O ZINC000847000542 595348994 /nfs/dbraw/zinc/34/89/94/595348994.db2.gz GDSFTUCZAXIZBX-QGZVFWFLSA-N 2 2 338.496 1.319 20 0 EDADLP CCN1C[C@@H](CN2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)OC1=O ZINC000847000542 595348996 /nfs/dbraw/zinc/34/89/96/595348996.db2.gz GDSFTUCZAXIZBX-QGZVFWFLSA-N 2 2 338.496 1.319 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000849280357 595500330 /nfs/dbraw/zinc/50/03/30/595500330.db2.gz CWXYDUIYEVBIFV-RRFJBIMHSA-N 2 2 328.526 1.044 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000849280357 595500331 /nfs/dbraw/zinc/50/03/31/595500331.db2.gz CWXYDUIYEVBIFV-RRFJBIMHSA-N 2 2 328.526 1.044 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=S)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849280357 595500332 /nfs/dbraw/zinc/50/03/32/595500332.db2.gz CWXYDUIYEVBIFV-RRFJBIMHSA-N 2 2 328.526 1.044 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=S)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000849280357 595500333 /nfs/dbraw/zinc/50/03/33/595500333.db2.gz CWXYDUIYEVBIFV-RRFJBIMHSA-N 2 2 328.526 1.044 20 0 EDADLP O[C@H](CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C[NH+]1CCCC1 ZINC000860013301 595543214 /nfs/dbraw/zinc/54/32/14/595543214.db2.gz OECZOCYZLHTYBP-IBGZPJMESA-N 2 2 342.487 1.742 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C=C3CC[NH2+]CC3)c[nH+]2)C[C@H](C)O1 ZINC000852858357 595580211 /nfs/dbraw/zinc/58/02/11/595580211.db2.gz ZUZSKFBSZBZKKH-GASCZTMLSA-N 2 2 344.459 1.621 20 0 EDADLP [NH3+]C[C@H]1CC(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)=NO1 ZINC000852862022 595583234 /nfs/dbraw/zinc/58/32/34/595583234.db2.gz QFJJKCDHZPLWEO-CQSZACIVSA-N 2 2 339.399 1.929 20 0 EDADLP C[N@H+](CC(F)F)C1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000852870857 595590631 /nfs/dbraw/zinc/59/06/31/595590631.db2.gz YUSCAGMOWGNXOF-NSHDSACASA-N 2 2 341.406 1.288 20 0 EDADLP C[N@@H+](CC(F)F)C1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000852870857 595590634 /nfs/dbraw/zinc/59/06/34/595590634.db2.gz YUSCAGMOWGNXOF-NSHDSACASA-N 2 2 341.406 1.288 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000857986235 595678086 /nfs/dbraw/zinc/67/80/86/595678086.db2.gz VDDZURYSDIAZFM-HZPDHXFCSA-N 2 2 325.416 1.751 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000857986235 595678088 /nfs/dbraw/zinc/67/80/88/595678088.db2.gz VDDZURYSDIAZFM-HZPDHXFCSA-N 2 2 325.416 1.751 20 0 EDADLP Cc1noc(C(F)(F)F)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415183 595704497 /nfs/dbraw/zinc/70/44/97/595704497.db2.gz TUKPFHSMGKFBBV-UHFFFAOYSA-N 2 2 336.358 1.615 20 0 EDADLP Cc1noc(C(F)(F)F)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415183 595704498 /nfs/dbraw/zinc/70/44/98/595704498.db2.gz TUKPFHSMGKFBBV-UHFFFAOYSA-N 2 2 336.358 1.615 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)(F)Cc1ccccc1 ZINC000855415008 595704658 /nfs/dbraw/zinc/70/46/58/595704658.db2.gz PUHZBBPDILDKHU-UHFFFAOYSA-N 2 2 327.419 1.864 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)(F)Cc1ccccc1 ZINC000855415008 595704660 /nfs/dbraw/zinc/70/46/60/595704660.db2.gz PUHZBBPDILDKHU-UHFFFAOYSA-N 2 2 327.419 1.864 20 0 EDADLP Cc1[nH]c(=S)sc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417320 595706195 /nfs/dbraw/zinc/70/61/95/595706195.db2.gz XYJMCRMYSILBHV-UHFFFAOYSA-N 2 2 330.523 1.282 20 0 EDADLP Cc1[nH]c(=S)sc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417320 595706198 /nfs/dbraw/zinc/70/61/98/595706198.db2.gz XYJMCRMYSILBHV-UHFFFAOYSA-N 2 2 330.523 1.282 20 0 EDADLP CC1CCC(NC(=O)C[NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)CC1 ZINC000858389315 595782296 /nfs/dbraw/zinc/78/22/96/595782296.db2.gz FLRMOPCBJRMQGF-UHFFFAOYSA-N 2 2 346.475 1.391 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2CCn3cc[nH+]c32)CC1 ZINC000858499684 595811089 /nfs/dbraw/zinc/81/10/89/595811089.db2.gz LXSWUNGIUKMCJQ-CQSZACIVSA-N 2 2 333.436 1.224 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000858500720 595811380 /nfs/dbraw/zinc/81/13/80/595811380.db2.gz OHGGCKKFBMCJGZ-GDBMZVCRSA-N 2 2 341.496 1.942 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOCCN(C)C(=O)OC(C)(C)C ZINC000858500720 595811382 /nfs/dbraw/zinc/81/13/82/595811382.db2.gz OHGGCKKFBMCJGZ-GDBMZVCRSA-N 2 2 341.496 1.942 20 0 EDADLP CO[C@@H](C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1)[C@@H]1CCOC1 ZINC000851846101 595944728 /nfs/dbraw/zinc/94/47/28/595944728.db2.gz YUPSDCPGDUEKIP-KGLIPLIRSA-N 2 2 327.494 1.537 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnn(C)n3)C2)ccn1 ZINC000856550103 596016200 /nfs/dbraw/zinc/01/62/00/596016200.db2.gz WYSLRFHSATYICO-KRWDZBQOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnn(C)n3)C2)ccn1 ZINC000856550103 596016203 /nfs/dbraw/zinc/01/62/03/596016203.db2.gz WYSLRFHSATYICO-KRWDZBQOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnn(C)n3)C2)ccn1 ZINC000856550103 596016207 /nfs/dbraw/zinc/01/62/07/596016207.db2.gz WYSLRFHSATYICO-KRWDZBQOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnn(C)n3)C2)ccn1 ZINC000856550103 596016210 /nfs/dbraw/zinc/01/62/10/596016210.db2.gz WYSLRFHSATYICO-KRWDZBQOSA-N 2 2 330.436 1.315 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nnc(C)[nH]3)C2)ccn1 ZINC000856584451 596020909 /nfs/dbraw/zinc/02/09/09/596020909.db2.gz KGBLDZYMNHGSOW-MRXNPFEDSA-N 2 2 330.436 1.613 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nnc(C)[nH]3)C2)ccn1 ZINC000856584451 596020913 /nfs/dbraw/zinc/02/09/13/596020913.db2.gz KGBLDZYMNHGSOW-MRXNPFEDSA-N 2 2 330.436 1.613 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)C2)ccn1 ZINC000856584451 596020917 /nfs/dbraw/zinc/02/09/17/596020917.db2.gz KGBLDZYMNHGSOW-MRXNPFEDSA-N 2 2 330.436 1.613 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C2)ccn1 ZINC000856584451 596020924 /nfs/dbraw/zinc/02/09/24/596020924.db2.gz KGBLDZYMNHGSOW-MRXNPFEDSA-N 2 2 330.436 1.613 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585895 596023160 /nfs/dbraw/zinc/02/31/60/596023160.db2.gz NANKRSNHNBJKNP-QZTJIDSGSA-N 2 2 347.459 1.938 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585895 596023164 /nfs/dbraw/zinc/02/31/64/596023164.db2.gz NANKRSNHNBJKNP-QZTJIDSGSA-N 2 2 347.459 1.938 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585895 596023169 /nfs/dbraw/zinc/02/31/69/596023169.db2.gz NANKRSNHNBJKNP-QZTJIDSGSA-N 2 2 347.459 1.938 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585895 596023174 /nfs/dbraw/zinc/02/31/74/596023174.db2.gz NANKRSNHNBJKNP-QZTJIDSGSA-N 2 2 347.459 1.938 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000861563958 596030524 /nfs/dbraw/zinc/03/05/24/596030524.db2.gz ZSFZLFOVXZMYIN-WBVHZDCISA-N 2 2 334.464 1.357 20 0 EDADLP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854727593 596177161 /nfs/dbraw/zinc/17/71/61/596177161.db2.gz MBYSNIWNHNPETO-IEBWSBKVSA-N 2 2 349.519 1.964 20 0 EDADLP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854727593 596177165 /nfs/dbraw/zinc/17/71/65/596177165.db2.gz MBYSNIWNHNPETO-IEBWSBKVSA-N 2 2 349.519 1.964 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OC/C=C/COC(=O)Cn1c[nH+]cc1C ZINC000859946687 596232158 /nfs/dbraw/zinc/23/21/58/596232158.db2.gz MZJNMTXQZMBXJP-ONEGZZNKSA-N 2 2 332.360 1.039 20 0 EDADLP O=C1N[C@@H]2C[N@H+](CC=C(Cl)Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000852751300 596237772 /nfs/dbraw/zinc/23/77/72/596237772.db2.gz WLCYMVDWTSSGOT-VXGBXAGGSA-N 2 2 333.263 1.526 20 0 EDADLP O=C1N[C@@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000852751300 596237773 /nfs/dbraw/zinc/23/77/73/596237773.db2.gz WLCYMVDWTSSGOT-VXGBXAGGSA-N 2 2 333.263 1.526 20 0 EDADLP O=C1N[C@H]2C[N@H+](CC=C(Cl)Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000852751298 596237891 /nfs/dbraw/zinc/23/78/91/596237891.db2.gz WLCYMVDWTSSGOT-NWDGAFQWSA-N 2 2 333.263 1.526 20 0 EDADLP O=C1N[C@H]2C[N@@H+](CC=C(Cl)Cl)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000852751298 596237892 /nfs/dbraw/zinc/23/78/92/596237892.db2.gz WLCYMVDWTSSGOT-NWDGAFQWSA-N 2 2 333.263 1.526 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000864561921 596265304 /nfs/dbraw/zinc/26/53/04/596265304.db2.gz FDOXFBDOZGIFOI-RJRFIUFISA-N 2 2 335.473 1.281 20 0 EDADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000866683282 596293167 /nfs/dbraw/zinc/29/31/67/596293167.db2.gz RSQGWFNBEDHYFC-SFHVURJKSA-N 2 2 333.476 1.783 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000866707328 596302152 /nfs/dbraw/zinc/30/21/52/596302152.db2.gz GWMPJJPOCCYJRT-HEHGZKQESA-N 2 2 344.371 1.302 20 0 EDADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000866707328 596302155 /nfs/dbraw/zinc/30/21/55/596302155.db2.gz GWMPJJPOCCYJRT-HEHGZKQESA-N 2 2 344.371 1.302 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Cl)n1 ZINC000866712797 596305839 /nfs/dbraw/zinc/30/58/39/596305839.db2.gz XOLRWFVZTANAJG-MJBXVCDLSA-N 2 2 336.823 1.410 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(Cl)n1 ZINC000866712797 596305842 /nfs/dbraw/zinc/30/58/42/596305842.db2.gz XOLRWFVZTANAJG-MJBXVCDLSA-N 2 2 336.823 1.410 20 0 EDADLP [NH3+][C@@H](C(=O)NCCCn1cc[nH+]c1)c1cccc(Br)c1 ZINC000870854570 596378658 /nfs/dbraw/zinc/37/86/58/596378658.db2.gz LTCHONUHGXRJQX-CYBMUJFWSA-N 2 2 337.221 1.852 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)C2)cc1 ZINC000870979508 596426783 /nfs/dbraw/zinc/42/67/83/596426783.db2.gz MYMOYSLLKDFPMS-OTWHNJEPSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)C2)cc1 ZINC000870979508 596426785 /nfs/dbraw/zinc/42/67/85/596426785.db2.gz MYMOYSLLKDFPMS-OTWHNJEPSA-N 2 2 345.487 1.830 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000870981987 596428280 /nfs/dbraw/zinc/42/82/80/596428280.db2.gz UVLMOGYQYHVZDK-IBGZPJMESA-N 2 2 344.503 1.705 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000864975537 596433101 /nfs/dbraw/zinc/43/31/01/596433101.db2.gz WFUQHZKHNMHCDX-XBXARRHUSA-N 2 2 349.519 1.989 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000864975537 596433103 /nfs/dbraw/zinc/43/31/03/596433103.db2.gz WFUQHZKHNMHCDX-XBXARRHUSA-N 2 2 349.519 1.989 20 0 EDADLP CN1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)Cc2ccc[nH+]c21 ZINC000871019929 596440368 /nfs/dbraw/zinc/44/03/68/596440368.db2.gz GRXRXPZIWONQPT-UHFFFAOYSA-N 2 2 328.441 1.881 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865048788 596454951 /nfs/dbraw/zinc/45/49/51/596454951.db2.gz CYGXXNMUXNJKAG-MBPBJGKSSA-N 2 2 335.492 1.739 20 0 EDADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865048788 596454953 /nfs/dbraw/zinc/45/49/53/596454953.db2.gz CYGXXNMUXNJKAG-MBPBJGKSSA-N 2 2 335.492 1.739 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000863209802 596518556 /nfs/dbraw/zinc/51/85/56/596518556.db2.gz QEVWTXQTOPBDOZ-MRXNPFEDSA-N 2 2 340.537 1.190 20 0 EDADLP S=C(NCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000863209802 596518558 /nfs/dbraw/zinc/51/85/58/596518558.db2.gz QEVWTXQTOPBDOZ-MRXNPFEDSA-N 2 2 340.537 1.190 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=S)NC[C@@H]3CCOC3)c2)CC1 ZINC000865254299 596525355 /nfs/dbraw/zinc/52/53/55/596525355.db2.gz WJWVELGKVVYJEL-ZDUSSCGKSA-N 2 2 335.477 1.156 20 0 EDADLP c1cn(-c2ccccc2C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)c[nH+]1 ZINC000865428490 596571764 /nfs/dbraw/zinc/57/17/64/596571764.db2.gz ORXIEXCLKVIETF-KRWDZBQOSA-N 2 2 338.415 1.933 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccnc1Br ZINC000865457639 596581079 /nfs/dbraw/zinc/58/10/79/596581079.db2.gz ZACNGFMBEIRMFA-LBPRGKRZSA-N 2 2 327.270 1.570 20 0 EDADLP Nc1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc(C2CCCC2)[nH+]1 ZINC000865560896 596611178 /nfs/dbraw/zinc/61/11/78/596611178.db2.gz FXQZNCUEMJUDBC-ZDUSSCGKSA-N 2 2 332.452 1.270 20 0 EDADLP Cc1ccc(C2=NO[C@H](C[NH2+]C[C@H](O)C[NH+]3CCCC3)C2)cc1C ZINC000863557411 596617795 /nfs/dbraw/zinc/61/77/95/596617795.db2.gz NNWRJCKQZXRWCD-ROUUACIJSA-N 2 2 331.460 1.843 20 0 EDADLP Cn1c[nH+]c(CC[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)c1 ZINC000865598481 596623181 /nfs/dbraw/zinc/62/31/81/596623181.db2.gz VDDJQXUWIIGVKA-UHFFFAOYSA-N 2 2 332.408 1.889 20 0 EDADLP CN(C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C(=O)OC(C)(C)C ZINC000863582781 596626715 /nfs/dbraw/zinc/62/67/15/596626715.db2.gz UJJLBYSOGYBLGP-JKSUJKDBSA-N 2 2 341.496 1.821 20 0 EDADLP CN(C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C(=O)OC(C)(C)C ZINC000863582781 596626722 /nfs/dbraw/zinc/62/67/22/596626722.db2.gz UJJLBYSOGYBLGP-JKSUJKDBSA-N 2 2 341.496 1.821 20 0 EDADLP Cc1cc([C@H]([NH3+])CC(=O)Nc2cc3n(n2)CC[N@@H+](C)C3)cc(Cl)n1 ZINC000868036655 596663169 /nfs/dbraw/zinc/66/31/69/596663169.db2.gz GBRBFXDJPOCFOQ-CYBMUJFWSA-N 2 2 348.838 1.714 20 0 EDADLP Cc1cc([C@H]([NH3+])CC(=O)Nc2cc3n(n2)CC[N@H+](C)C3)cc(Cl)n1 ZINC000868036655 596663170 /nfs/dbraw/zinc/66/31/70/596663170.db2.gz GBRBFXDJPOCFOQ-CYBMUJFWSA-N 2 2 348.838 1.714 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000865800239 596689605 /nfs/dbraw/zinc/68/96/05/596689605.db2.gz WXBIZBIXMWDJST-TVRKMHQQSA-N 2 2 337.508 1.676 20 0 EDADLP CCOC1CC2(C[C@@H]2C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000865800239 596689610 /nfs/dbraw/zinc/68/96/10/596689610.db2.gz WXBIZBIXMWDJST-TVRKMHQQSA-N 2 2 337.508 1.676 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC000865813670 596693693 /nfs/dbraw/zinc/69/36/93/596693693.db2.gz ZQRLLSMHDBEVIH-GDBMZVCRSA-N 2 2 339.505 1.554 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C[N@H+]1Cc1ccccc1 ZINC000865813670 596693695 /nfs/dbraw/zinc/69/36/95/596693695.db2.gz ZQRLLSMHDBEVIH-GDBMZVCRSA-N 2 2 339.505 1.554 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C1 ZINC000865813628 596693861 /nfs/dbraw/zinc/69/38/61/596693861.db2.gz YTYKCGIDWSAJFV-ZBFHGGJFSA-N 2 2 339.505 1.726 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)C1 ZINC000865813628 596693863 /nfs/dbraw/zinc/69/38/63/596693863.db2.gz YTYKCGIDWSAJFV-ZBFHGGJFSA-N 2 2 339.505 1.726 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000868217975 596730757 /nfs/dbraw/zinc/73/07/57/596730757.db2.gz XPQHZHJUHHKAGT-BQFCYCMXSA-N 2 2 344.459 1.336 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000868217975 596730760 /nfs/dbraw/zinc/73/07/60/596730760.db2.gz XPQHZHJUHHKAGT-BQFCYCMXSA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000868217975 596730763 /nfs/dbraw/zinc/73/07/63/596730763.db2.gz XPQHZHJUHHKAGT-BQFCYCMXSA-N 2 2 344.459 1.336 20 0 EDADLP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000868217975 596730764 /nfs/dbraw/zinc/73/07/64/596730764.db2.gz XPQHZHJUHHKAGT-BQFCYCMXSA-N 2 2 344.459 1.336 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H](Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000865998442 596753556 /nfs/dbraw/zinc/75/35/56/596753556.db2.gz IDVYVXZMPNRYNY-LSDHHAIUSA-N 2 2 349.479 1.085 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H](Nc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000865998442 596753558 /nfs/dbraw/zinc/75/35/58/596753558.db2.gz IDVYVXZMPNRYNY-LSDHHAIUSA-N 2 2 349.479 1.085 20 0 EDADLP CCOC(=O)[C@@H](C)C1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000871993154 596783495 /nfs/dbraw/zinc/78/34/95/596783495.db2.gz LWRCOYRGJPYFCZ-OXJNMPFZSA-N 2 2 346.471 1.754 20 0 EDADLP CCOC(=O)[C@@H](C)C1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000871993154 596783498 /nfs/dbraw/zinc/78/34/98/596783498.db2.gz LWRCOYRGJPYFCZ-OXJNMPFZSA-N 2 2 346.471 1.754 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000868363557 596803222 /nfs/dbraw/zinc/80/32/22/596803222.db2.gz OTWDHQTYXFDHAA-SFHVURJKSA-N 2 2 346.475 1.583 20 0 EDADLP COCC[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000868363557 596803225 /nfs/dbraw/zinc/80/32/25/596803225.db2.gz OTWDHQTYXFDHAA-SFHVURJKSA-N 2 2 346.475 1.583 20 0 EDADLP C[C@@H](CNC(=O)N1CCN(C)c2[nH+]cccc2C1)C[NH+]1CCOCC1 ZINC000868368174 596806633 /nfs/dbraw/zinc/80/66/33/596806633.db2.gz CMMFETOYDDLYAU-HNNXBMFYSA-N 2 2 347.463 1.011 20 0 EDADLP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147380 596810848 /nfs/dbraw/zinc/81/08/48/596810848.db2.gz INUJLWRKSYKSPW-JSGCOSHPSA-N 2 2 347.356 1.853 20 0 EDADLP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147380 596810849 /nfs/dbraw/zinc/81/08/49/596810849.db2.gz INUJLWRKSYKSPW-JSGCOSHPSA-N 2 2 347.356 1.853 20 0 EDADLP COc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149031 596812553 /nfs/dbraw/zinc/81/25/53/596812553.db2.gz SIHFRBZCAOYRPZ-TZMCWYRMSA-N 2 2 345.365 1.380 20 0 EDADLP COc1ccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149031 596812557 /nfs/dbraw/zinc/81/25/57/596812557.db2.gz SIHFRBZCAOYRPZ-TZMCWYRMSA-N 2 2 345.365 1.380 20 0 EDADLP Cc1cc(NC(=O)C(=O)NCc2c[nH+]cn2C)ccc1C[NH+](C)C ZINC000874243375 596983389 /nfs/dbraw/zinc/98/33/89/596983389.db2.gz DEFLQZJSELNQDP-UHFFFAOYSA-N 2 2 329.404 1.045 20 0 EDADLP CCn1cnn(C[N@H+](CCOC)CC2CC[NH+](C)CC2)c1=S ZINC000872631957 597000402 /nfs/dbraw/zinc/00/04/02/597000402.db2.gz OUHYMDHGYBGZDB-UHFFFAOYSA-N 2 2 327.498 1.682 20 0 EDADLP CCn1cnn(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)c1=S ZINC000872631957 597000406 /nfs/dbraw/zinc/00/04/06/597000406.db2.gz OUHYMDHGYBGZDB-UHFFFAOYSA-N 2 2 327.498 1.682 20 0 EDADLP COC(=O)c1nn(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c2ccccc21 ZINC000872722618 597045652 /nfs/dbraw/zinc/04/56/52/597045652.db2.gz FXPFHRRBPLUSTQ-DZGCQCFKSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1nn(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c2ccccc21 ZINC000872722618 597045654 /nfs/dbraw/zinc/04/56/54/597045654.db2.gz FXPFHRRBPLUSTQ-DZGCQCFKSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1nn(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c2ccccc21 ZINC000872722618 597045658 /nfs/dbraw/zinc/04/56/58/597045658.db2.gz FXPFHRRBPLUSTQ-DZGCQCFKSA-N 2 2 328.416 1.806 20 0 EDADLP COC(=O)c1nn(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c2ccccc21 ZINC000872722618 597045662 /nfs/dbraw/zinc/04/56/62/597045662.db2.gz FXPFHRRBPLUSTQ-DZGCQCFKSA-N 2 2 328.416 1.806 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000876205978 597135914 /nfs/dbraw/zinc/13/59/14/597135914.db2.gz YYCYTKROBVOOEP-SJLPKXTDSA-N 2 2 346.475 1.319 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000876205978 597135918 /nfs/dbraw/zinc/13/59/18/597135918.db2.gz YYCYTKROBVOOEP-SJLPKXTDSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000876205978 597135922 /nfs/dbraw/zinc/13/59/22/597135922.db2.gz YYCYTKROBVOOEP-SJLPKXTDSA-N 2 2 346.475 1.319 20 0 EDADLP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000876205978 597135925 /nfs/dbraw/zinc/13/59/25/597135925.db2.gz YYCYTKROBVOOEP-SJLPKXTDSA-N 2 2 346.475 1.319 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2c3ccccc3C[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000876205995 597136063 /nfs/dbraw/zinc/13/60/63/597136063.db2.gz ZBVTVYDDSFYWRK-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2c3ccccc3C[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000876205995 597136064 /nfs/dbraw/zinc/13/60/64/597136064.db2.gz ZBVTVYDDSFYWRK-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000876205995 597136065 /nfs/dbraw/zinc/13/60/65/597136065.db2.gz ZBVTVYDDSFYWRK-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000876205995 597136068 /nfs/dbraw/zinc/13/60/68/597136068.db2.gz ZBVTVYDDSFYWRK-RVKKMQEKSA-N 2 2 346.475 1.270 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000874702793 597146486 /nfs/dbraw/zinc/14/64/86/597146486.db2.gz KDQXUBYOJVSAJQ-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000874702793 597146488 /nfs/dbraw/zinc/14/64/88/597146488.db2.gz KDQXUBYOJVSAJQ-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000874702793 597146491 /nfs/dbraw/zinc/14/64/91/597146491.db2.gz KDQXUBYOJVSAJQ-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000874702793 597146493 /nfs/dbraw/zinc/14/64/93/597146493.db2.gz KDQXUBYOJVSAJQ-RTBURBONSA-N 2 2 345.487 1.878 20 0 EDADLP COc1ccc(Cn2cc(C[NH2+]CCn3cc[nH+]c3C)nn2)cc1 ZINC000873030226 597165337 /nfs/dbraw/zinc/16/53/37/597165337.db2.gz CIAJMGOGLUUXKS-UHFFFAOYSA-N 2 2 326.404 1.630 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000874822000 597184731 /nfs/dbraw/zinc/18/47/31/597184731.db2.gz FWAJFJDPMHAWCT-CEXWTWQISA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000874822000 597184733 /nfs/dbraw/zinc/18/47/33/597184733.db2.gz FWAJFJDPMHAWCT-CEXWTWQISA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000874822000 597184737 /nfs/dbraw/zinc/18/47/37/597184737.db2.gz FWAJFJDPMHAWCT-CEXWTWQISA-N 2 2 343.471 1.965 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000874822000 597184738 /nfs/dbraw/zinc/18/47/38/597184738.db2.gz FWAJFJDPMHAWCT-CEXWTWQISA-N 2 2 343.471 1.965 20 0 EDADLP C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)[NH+]1CCSCC1 ZINC000874893386 597212319 /nfs/dbraw/zinc/21/23/19/597212319.db2.gz QSZBLISHDIVSNV-BBRMVZONSA-N 2 2 337.464 1.736 20 0 EDADLP O=c1[nH]c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)nc2c1COCC2 ZINC000873278076 597246467 /nfs/dbraw/zinc/24/64/67/597246467.db2.gz YQJRDCICUGMJNF-AEGPPILISA-N 2 2 332.448 1.655 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000875042530 597256845 /nfs/dbraw/zinc/25/68/45/597256845.db2.gz VFUZZQINXOVTEB-QGZVFWFLSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000875042530 597256847 /nfs/dbraw/zinc/25/68/47/597256847.db2.gz VFUZZQINXOVTEB-QGZVFWFLSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)cc2C1 ZINC000873333916 597259964 /nfs/dbraw/zinc/25/99/64/597259964.db2.gz NOLLRLHLBCHPLF-HNNXBMFYSA-N 2 2 340.431 1.165 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)cc2C1 ZINC000873333916 597259966 /nfs/dbraw/zinc/25/99/66/597259966.db2.gz NOLLRLHLBCHPLF-HNNXBMFYSA-N 2 2 340.431 1.165 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876711560 597298805 /nfs/dbraw/zinc/29/88/05/597298805.db2.gz ZZLUNHZYEQTBJK-UGDXFFOVSA-N 2 2 343.471 1.415 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876711560 597298807 /nfs/dbraw/zinc/29/88/07/597298807.db2.gz ZZLUNHZYEQTBJK-UGDXFFOVSA-N 2 2 343.471 1.415 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NC2CCC(C)([NH+](C)C)CC2)CCO1 ZINC000875193703 597323016 /nfs/dbraw/zinc/32/30/16/597323016.db2.gz DNHQIYCDGDHXDZ-UQPPLGOBSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CCC(C)([NH+](C)C)CC2)CCO1 ZINC000875193703 597323021 /nfs/dbraw/zinc/32/30/21/597323021.db2.gz DNHQIYCDGDHXDZ-UQPPLGOBSA-N 2 2 326.485 1.269 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876768404 597331583 /nfs/dbraw/zinc/33/15/83/597331583.db2.gz HYDZAASVPLPBHF-INIZCTEOSA-N 2 2 333.480 1.035 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876886541 597369887 /nfs/dbraw/zinc/36/98/87/597369887.db2.gz YUKDKJVDVHWQFE-SZTZYQKNSA-N 2 2 330.432 1.721 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@@H]2CC)CC1 ZINC000875315439 597380528 /nfs/dbraw/zinc/38/05/28/597380528.db2.gz XGJIEJZTOLWPPJ-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@@H]2CC)CC1 ZINC000875315439 597380533 /nfs/dbraw/zinc/38/05/33/597380533.db2.gz XGJIEJZTOLWPPJ-INIZCTEOSA-N 2 2 326.485 1.271 20 0 EDADLP CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876971259 597402182 /nfs/dbraw/zinc/40/21/82/597402182.db2.gz FKLVVNNDLRPVKS-RMXPPQQLSA-N 3 2 334.508 1.146 20 0 EDADLP CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876971259 597402183 /nfs/dbraw/zinc/40/21/83/597402183.db2.gz FKLVVNNDLRPVKS-RMXPPQQLSA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000875428587 597424553 /nfs/dbraw/zinc/42/45/53/597424553.db2.gz NAIONQMPCGFIPL-PVAVHDDUSA-N 2 2 338.496 1.269 20 0 EDADLP CN(OCC(F)(F)F)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000875428986 597425149 /nfs/dbraw/zinc/42/51/49/597425149.db2.gz XAAAABLWSOHFBA-UHFFFAOYSA-N 2 2 326.363 1.148 20 0 EDADLP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000877390391 597507950 /nfs/dbraw/zinc/50/79/50/597507950.db2.gz JPOUJVRFEVXGNH-LNLFQRSKSA-N 2 2 329.444 1.288 20 0 EDADLP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000877390391 597507952 /nfs/dbraw/zinc/50/79/52/597507952.db2.gz JPOUJVRFEVXGNH-LNLFQRSKSA-N 2 2 329.444 1.288 20 0 EDADLP CC1(C)C[C@@H](O)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000879618172 597660008 /nfs/dbraw/zinc/66/00/08/597660008.db2.gz SGGACEWVSYCEIA-GOSISDBHSA-N 2 2 345.487 1.424 20 0 EDADLP CC1(C)C[C@@H](O)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000879618172 597660011 /nfs/dbraw/zinc/66/00/11/597660011.db2.gz SGGACEWVSYCEIA-GOSISDBHSA-N 2 2 345.487 1.424 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1)n1cc[nH+]c1 ZINC000881625892 597662997 /nfs/dbraw/zinc/66/29/97/597662997.db2.gz XDPXNPVQENKGIB-HNNXBMFYSA-N 2 2 347.463 1.167 20 0 EDADLP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000883171392 597676101 /nfs/dbraw/zinc/67/61/01/597676101.db2.gz XFOKVEIKLWVMLW-AQNXPRMDSA-N 2 2 348.487 1.437 20 0 EDADLP COC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000883171392 597676103 /nfs/dbraw/zinc/67/61/03/597676103.db2.gz XFOKVEIKLWVMLW-AQNXPRMDSA-N 2 2 348.487 1.437 20 0 EDADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000883449644 597751571 /nfs/dbraw/zinc/75/15/71/597751571.db2.gz CBIDMQBJWXYPEU-QGZVFWFLSA-N 2 2 345.491 1.194 20 0 EDADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000883449644 597751573 /nfs/dbraw/zinc/75/15/73/597751573.db2.gz CBIDMQBJWXYPEU-QGZVFWFLSA-N 2 2 345.491 1.194 20 0 EDADLP C[NH+]1CCC(CNC(=O)N2CC[C@H](CF)C2)([NH+]2CCCCC2)CC1 ZINC000883467842 597760458 /nfs/dbraw/zinc/76/04/58/597760458.db2.gz AKONFTGNNGFHRH-MRXNPFEDSA-N 2 2 340.487 1.938 20 0 EDADLP COC(=O)Cn1cc(CC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)nn1 ZINC000879950066 597780981 /nfs/dbraw/zinc/78/09/81/597780981.db2.gz DIGPJSHEMIAZKF-UHFFFAOYSA-N 2 2 349.479 1.334 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000880143196 597855212 /nfs/dbraw/zinc/85/52/12/597855212.db2.gz ZVVHIJAPFBTESR-QLFBSQMISA-N 2 2 327.469 1.431 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000880143196 597855214 /nfs/dbraw/zinc/85/52/14/597855214.db2.gz ZVVHIJAPFBTESR-QLFBSQMISA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000880143196 597855218 /nfs/dbraw/zinc/85/52/18/597855218.db2.gz ZVVHIJAPFBTESR-QLFBSQMISA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000880143196 597855220 /nfs/dbraw/zinc/85/52/20/597855220.db2.gz ZVVHIJAPFBTESR-QLFBSQMISA-N 2 2 327.469 1.431 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000880143198 597855322 /nfs/dbraw/zinc/85/53/22/597855322.db2.gz ZVVHIJAPFBTESR-RRFJBIMHSA-N 2 2 327.469 1.431 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000880143198 597855324 /nfs/dbraw/zinc/85/53/24/597855324.db2.gz ZVVHIJAPFBTESR-RRFJBIMHSA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000880143198 597855328 /nfs/dbraw/zinc/85/53/28/597855328.db2.gz ZVVHIJAPFBTESR-RRFJBIMHSA-N 2 2 327.469 1.431 20 0 EDADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000880143198 597855331 /nfs/dbraw/zinc/85/53/31/597855331.db2.gz ZVVHIJAPFBTESR-RRFJBIMHSA-N 2 2 327.469 1.431 20 0 EDADLP C[C@@H]1C[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CCN1c1cc[nH+]cc1 ZINC000880260142 597885499 /nfs/dbraw/zinc/88/54/99/597885499.db2.gz BKCPUGUIXAVCNY-PBHICJAKSA-N 2 2 340.431 1.131 20 0 EDADLP C[C@@H]1C[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CCN1c1cc[nH+]cc1 ZINC000880260142 597885503 /nfs/dbraw/zinc/88/55/03/597885503.db2.gz BKCPUGUIXAVCNY-PBHICJAKSA-N 2 2 340.431 1.131 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C[C@H](C)O1 ZINC000880264321 597887413 /nfs/dbraw/zinc/88/74/13/597887413.db2.gz UFNIGBXVKSYCHF-HRCADAONSA-N 2 2 332.448 1.228 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C[C@H](C)O1 ZINC000880264321 597887415 /nfs/dbraw/zinc/88/74/15/597887415.db2.gz UFNIGBXVKSYCHF-HRCADAONSA-N 2 2 332.448 1.228 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[C@@H]1CCCC1(F)F ZINC000883932690 597946374 /nfs/dbraw/zinc/94/63/74/597946374.db2.gz AJIQOVWXYARVKN-AWEZNQCLSA-N 2 2 334.455 1.995 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[C@@H]1CCCC1(F)F ZINC000883932690 597946377 /nfs/dbraw/zinc/94/63/77/597946377.db2.gz AJIQOVWXYARVKN-AWEZNQCLSA-N 2 2 334.455 1.995 20 0 EDADLP O=C1NCC[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@@H]12 ZINC000880527704 597956016 /nfs/dbraw/zinc/95/60/16/597956016.db2.gz UBKALHXCXRDPRC-RBUKOAKNSA-N 2 2 343.471 1.619 20 0 EDADLP O=C1NCC[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@@H]12 ZINC000880527704 597956017 /nfs/dbraw/zinc/95/60/17/597956017.db2.gz UBKALHXCXRDPRC-RBUKOAKNSA-N 2 2 343.471 1.619 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884058393 597981813 /nfs/dbraw/zinc/98/18/13/597981813.db2.gz JELYDJWPVVHTHO-HZPDHXFCSA-N 2 2 347.463 1.022 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000884279674 598053488 /nfs/dbraw/zinc/05/34/88/598053488.db2.gz QSNQUEPBTXOWKU-LSDHHAIUSA-N 2 2 340.431 1.513 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000882837575 598074645 /nfs/dbraw/zinc/07/46/45/598074645.db2.gz KVYQREVWSLQTRM-INIZCTEOSA-N 2 2 348.472 1.638 20 0 EDADLP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000884470070 598114279 /nfs/dbraw/zinc/11/42/79/598114279.db2.gz DJRNAVVTWGAEDZ-OALUTQOASA-N 2 2 347.503 1.946 20 0 EDADLP C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000884470070 598114280 /nfs/dbraw/zinc/11/42/80/598114280.db2.gz DJRNAVVTWGAEDZ-OALUTQOASA-N 2 2 347.503 1.946 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914247645 695309412 /nfs/dbraw/zinc/30/94/12/695309412.db2.gz CEGQYBOUHCQZLA-GJZGRUSLSA-N 2 2 337.493 1.461 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939856793 699995878 /nfs/dbraw/zinc/99/58/78/699995878.db2.gz QCDGUWGKJBBQCP-LRDDRELGSA-N 2 2 331.420 1.379 20 0 EDADLP Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cs1 ZINC000939857361 699996577 /nfs/dbraw/zinc/99/65/77/699996577.db2.gz SBJDVXIIELOIEL-DOMZBBRYSA-N 2 2 333.461 1.327 20 0 EDADLP COCc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cs1 ZINC000939855308 699993371 /nfs/dbraw/zinc/99/33/71/699993371.db2.gz DGDNVQUDDMPRNA-GXTWGEPZSA-N 2 2 349.460 1.123 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]32)cn1 ZINC000992923950 695456276 /nfs/dbraw/zinc/45/62/76/695456276.db2.gz JUEMXOQGMNANDS-BRWVUGGUSA-N 2 2 342.447 1.034 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992924018 695456356 /nfs/dbraw/zinc/45/63/56/695456356.db2.gz KLSRKEKZBJPQQW-NUEKZKHPSA-N 2 2 329.404 1.288 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC000992927147 695457893 /nfs/dbraw/zinc/45/78/93/695457893.db2.gz VZADBZYVXSWUAP-BZSNNMDCSA-N 2 2 339.443 1.695 20 0 EDADLP O=C(NC1C[NH+](CC2CCCC2)C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001031153212 695590863 /nfs/dbraw/zinc/59/08/63/695590863.db2.gz HTRFPUJLCAFARU-UHFFFAOYSA-N 2 2 325.416 1.872 20 0 EDADLP Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994214144 696585328 /nfs/dbraw/zinc/58/53/28/696585328.db2.gz WDESWXWCWOMXLC-YJBOKZPZSA-N 2 2 341.459 1.835 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994214144 696585330 /nfs/dbraw/zinc/58/53/30/696585330.db2.gz WDESWXWCWOMXLC-YJBOKZPZSA-N 2 2 341.459 1.835 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001015707256 696614613 /nfs/dbraw/zinc/61/46/13/696614613.db2.gz UZRQVHXZDMSWPX-HIFRSBDPSA-N 2 2 339.871 1.211 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCn2cc(Cl)cn2)C1 ZINC001015707256 696614615 /nfs/dbraw/zinc/61/46/15/696614615.db2.gz UZRQVHXZDMSWPX-HIFRSBDPSA-N 2 2 339.871 1.211 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1 ZINC001015707256 696614619 /nfs/dbraw/zinc/61/46/19/696614619.db2.gz UZRQVHXZDMSWPX-HIFRSBDPSA-N 2 2 339.871 1.211 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC001015707256 696614620 /nfs/dbraw/zinc/61/46/20/696614620.db2.gz UZRQVHXZDMSWPX-HIFRSBDPSA-N 2 2 339.871 1.211 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCn2cccn2)[C@@H]1C ZINC000994298928 696734895 /nfs/dbraw/zinc/73/48/95/696734895.db2.gz RWQJODDQKVEKLI-CABCVRRESA-N 2 2 330.436 1.126 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCn2cccn2)[C@@H]1C ZINC000994298928 696734896 /nfs/dbraw/zinc/73/48/96/696734896.db2.gz RWQJODDQKVEKLI-CABCVRRESA-N 2 2 330.436 1.126 20 0 EDADLP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)o1 ZINC000994427123 696854618 /nfs/dbraw/zinc/85/46/18/696854618.db2.gz UYOBUSZKOTVWOP-WBMJQRKESA-N 2 2 331.420 1.657 20 0 EDADLP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)o1 ZINC000994427123 696854621 /nfs/dbraw/zinc/85/46/21/696854621.db2.gz UYOBUSZKOTVWOP-WBMJQRKESA-N 2 2 331.420 1.657 20 0 EDADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031382433 697000765 /nfs/dbraw/zinc/00/07/65/697000765.db2.gz UHHNOMDIEQIHKX-KSSFIOAISA-N 2 2 327.472 1.988 20 0 EDADLP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031382433 697000768 /nfs/dbraw/zinc/00/07/68/697000768.db2.gz UHHNOMDIEQIHKX-KSSFIOAISA-N 2 2 327.472 1.988 20 0 EDADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001031415365 697066169 /nfs/dbraw/zinc/06/61/69/697066169.db2.gz UVMVWAWHVZTDQX-MSOLQXFVSA-N 2 2 331.460 1.659 20 0 EDADLP CC[C@H](c1ccccc1)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001031415365 697066171 /nfs/dbraw/zinc/06/61/71/697066171.db2.gz UVMVWAWHVZTDQX-MSOLQXFVSA-N 2 2 331.460 1.659 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001031418995 697072715 /nfs/dbraw/zinc/07/27/15/697072715.db2.gz QRGWZRKHSQBRGY-QGZVFWFLSA-N 2 2 335.492 1.478 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001031418995 697072718 /nfs/dbraw/zinc/07/27/18/697072718.db2.gz QRGWZRKHSQBRGY-QGZVFWFLSA-N 2 2 335.492 1.478 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSC(F)(F)F ZINC000918699242 697199553 /nfs/dbraw/zinc/19/95/53/697199553.db2.gz GMEHJMWOJCAGFZ-UHFFFAOYSA-N 2 2 327.416 1.724 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSC(F)(F)F ZINC000918699242 697199554 /nfs/dbraw/zinc/19/95/54/697199554.db2.gz GMEHJMWOJCAGFZ-UHFFFAOYSA-N 2 2 327.416 1.724 20 0 EDADLP O=C(NCC1C[NH+](Cc2cccc(F)c2F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675384 697485062 /nfs/dbraw/zinc/48/50/62/697485062.db2.gz GOYRWMLIGXVNNU-MRXNPFEDSA-N 2 2 349.425 1.855 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000921388340 697587764 /nfs/dbraw/zinc/58/77/64/697587764.db2.gz GFGAMYUBZQHQCT-CABCVRRESA-N 2 2 328.501 1.373 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(OC)n2)C1 ZINC001031711419 697717409 /nfs/dbraw/zinc/71/74/09/697717409.db2.gz FQXOLESKSHSUFD-QGZVFWFLSA-N 2 2 346.475 1.513 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(OC)n2)C1 ZINC001031711419 697717411 /nfs/dbraw/zinc/71/74/11/697717411.db2.gz FQXOLESKSHSUFD-QGZVFWFLSA-N 2 2 346.475 1.513 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)o1 ZINC000943177755 697873855 /nfs/dbraw/zinc/87/38/55/697873855.db2.gz PMMLNFXNQHNFRM-IUODEOHRSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)o1 ZINC000943177755 697873858 /nfs/dbraw/zinc/87/38/58/697873858.db2.gz PMMLNFXNQHNFRM-IUODEOHRSA-N 2 2 345.447 1.838 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178799 697875978 /nfs/dbraw/zinc/87/59/78/697875978.db2.gz VPRKLLVUGUIVBF-KDOFPFPSSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178799 697875984 /nfs/dbraw/zinc/87/59/84/697875984.db2.gz VPRKLLVUGUIVBF-KDOFPFPSSA-N 2 2 342.443 1.471 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943765577 698816170 /nfs/dbraw/zinc/81/61/70/698816170.db2.gz DPVPYRNMJOZIHT-JSGCOSHPSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943765577 698816176 /nfs/dbraw/zinc/81/61/76/698816176.db2.gz DPVPYRNMJOZIHT-JSGCOSHPSA-N 2 2 347.488 1.786 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)o1 ZINC000943766340 698817312 /nfs/dbraw/zinc/81/73/12/698817312.db2.gz HNCXSQBGASPLHL-OCCSQVGLSA-N 2 2 345.447 1.838 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)[C@H](C)C2)o1 ZINC000943766340 698817316 /nfs/dbraw/zinc/81/73/16/698817316.db2.gz HNCXSQBGASPLHL-OCCSQVGLSA-N 2 2 345.447 1.838 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](C)C2)n1 ZINC000943755565 698828539 /nfs/dbraw/zinc/82/85/39/698828539.db2.gz GMYPMSBKXNUPSK-GOEBONIOSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](C)C2)n1 ZINC000943755565 698828543 /nfs/dbraw/zinc/82/85/43/698828543.db2.gz GMYPMSBKXNUPSK-GOEBONIOSA-N 2 2 349.479 1.437 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cccc(F)c3)C2)O1 ZINC001031765414 699051515 /nfs/dbraw/zinc/05/15/15/699051515.db2.gz FLOCCXJRZPOILN-CXAGYDPISA-N 2 2 335.423 1.093 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cccc(F)c3)C2)O1 ZINC001031765414 699051518 /nfs/dbraw/zinc/05/15/18/699051518.db2.gz FLOCCXJRZPOILN-CXAGYDPISA-N 2 2 335.423 1.093 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766932 699067066 /nfs/dbraw/zinc/06/70/66/699067066.db2.gz OIIXOZXJGFPSJK-MSOLQXFVSA-N 2 2 346.450 1.786 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766932 699067068 /nfs/dbraw/zinc/06/70/68/699067068.db2.gz OIIXOZXJGFPSJK-MSOLQXFVSA-N 2 2 346.450 1.786 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCCCO2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772854 699104324 /nfs/dbraw/zinc/10/43/24/699104324.db2.gz LODRMDFTHQFEPS-OAHLLOKOSA-N 2 2 328.416 1.794 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031783978 699213329 /nfs/dbraw/zinc/21/33/29/699213329.db2.gz JJDHTOYGXHNCRV-JKSUJKDBSA-N 2 2 332.448 1.063 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000939133761 699218442 /nfs/dbraw/zinc/21/84/42/699218442.db2.gz UPGMRSCGROAYQO-OCCSQVGLSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000939133761 699218444 /nfs/dbraw/zinc/21/84/44/699218444.db2.gz UPGMRSCGROAYQO-OCCSQVGLSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1C[NH+](CC3CCOCC3)C1)C2 ZINC001031788747 699238501 /nfs/dbraw/zinc/23/85/01/699238501.db2.gz KRNRMYFIUGKEQQ-MRXNPFEDSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1C[NH+](CC3CCOCC3)C1)CC2 ZINC001031788747 699238503 /nfs/dbraw/zinc/23/85/03/699238503.db2.gz KRNRMYFIUGKEQQ-MRXNPFEDSA-N 2 2 346.475 1.298 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1C[NH+](CC3CC(C)C3)C1)C2 ZINC001031790008 699254246 /nfs/dbraw/zinc/25/42/46/699254246.db2.gz QONPUHNXYZGLSA-PXCJXSSVSA-N 2 2 330.476 1.917 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1C[NH+](CC3CC(C)C3)C1)CC2 ZINC001031790008 699254249 /nfs/dbraw/zinc/25/42/49/699254249.db2.gz QONPUHNXYZGLSA-PXCJXSSVSA-N 2 2 330.476 1.917 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000939210816 699358377 /nfs/dbraw/zinc/35/83/77/699358377.db2.gz PXQYNZWIIZXKCC-DYVFJYSZSA-N 2 2 342.447 1.122 20 0 EDADLP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939210812 699358406 /nfs/dbraw/zinc/35/84/06/699358406.db2.gz PWNVVBLJXXKAED-BZNIZROVSA-N 2 2 331.420 1.448 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939256909 699433918 /nfs/dbraw/zinc/43/39/18/699433918.db2.gz GLWQKRDGQJPKCT-IUODEOHRSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1nocc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163873 701597264 /nfs/dbraw/zinc/59/72/64/701597264.db2.gz XONKWOAPGCNTRW-HIFRSBDPSA-N 2 2 331.420 1.334 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C)nn1C ZINC000939540349 699680972 /nfs/dbraw/zinc/68/09/72/699680972.db2.gz GTSQOHQLKCDSMV-IUODEOHRSA-N 2 2 344.463 1.366 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1nccs1 ZINC000939551924 699701403 /nfs/dbraw/zinc/70/14/03/699701403.db2.gz USYLREQMNNMCKP-GXTWGEPZSA-N 2 2 345.472 1.854 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939621779 699758538 /nfs/dbraw/zinc/75/85/38/699758538.db2.gz DTGDAYYVGDCYKF-BZNIZROVSA-N 2 2 345.447 1.756 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000939622083 699758890 /nfs/dbraw/zinc/75/88/90/699758890.db2.gz INPXPLWEYUKWFT-SJCJKPOMSA-N 2 2 327.432 1.601 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)s1 ZINC000939624336 699762186 /nfs/dbraw/zinc/76/21/86/699762186.db2.gz WUAJKWMQYDQCEW-ZUZCIYMTSA-N 2 2 333.461 1.662 20 0 EDADLP Cc1nc(CC[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)cs1 ZINC000939625700 699763254 /nfs/dbraw/zinc/76/32/54/699763254.db2.gz DOWLFHCBFMQIIU-MEDUHNTESA-N 2 2 347.488 1.705 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C)c(C)o1 ZINC000939626622 699764272 /nfs/dbraw/zinc/76/42/72/699764272.db2.gz LUTKWUAKNJZKPI-HWPZZCPQSA-N 2 2 331.420 1.502 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)cs1 ZINC000939641140 699770575 /nfs/dbraw/zinc/77/05/75/699770575.db2.gz BZIXXQJXFZFBNW-BLLLJJGKSA-N 2 2 347.488 1.754 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C)n1 ZINC000939642829 699772192 /nfs/dbraw/zinc/77/21/92/699772192.db2.gz NBZHTOZQDZYVEX-YOEHRIQHSA-N 2 2 344.463 1.206 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC000939749616 699896660 /nfs/dbraw/zinc/89/66/60/699896660.db2.gz WDXAYIVAUWJRFL-DZGCQCFKSA-N 2 2 345.451 1.001 20 0 EDADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)n1 ZINC000939753780 699903364 /nfs/dbraw/zinc/90/33/64/699903364.db2.gz IUVIAKQXSZSBGW-CZUORRHYSA-N 2 2 330.436 1.045 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)c(C)o1 ZINC000939755041 699906106 /nfs/dbraw/zinc/90/61/06/699906106.db2.gz OSKHQHZOXAKUKI-BDJLRTHQSA-N 2 2 331.420 1.433 20 0 EDADLP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000940397536 700594572 /nfs/dbraw/zinc/59/45/72/700594572.db2.gz NFORFFGCZCQZFL-UHFFFAOYSA-N 2 2 327.432 1.827 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)CCO1 ZINC000940426354 700620185 /nfs/dbraw/zinc/62/01/85/700620185.db2.gz REKJHNZOJDKNHK-HOTGVXAUSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)n1 ZINC000940426545 700620619 /nfs/dbraw/zinc/62/06/19/700620619.db2.gz WFTNGKMXXSHETQ-UHFFFAOYSA-N 2 2 344.463 1.592 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995167999 701657632 /nfs/dbraw/zinc/65/76/32/701657632.db2.gz LEESEYUMFGFDRB-CZUORRHYSA-N 2 2 345.422 1.571 20 0 EDADLP CC1([NH2+]Cc2nnc(C3CC3)o2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940482725 700670770 /nfs/dbraw/zinc/67/07/70/700670770.db2.gz NOPMWPBUJOZRBO-UHFFFAOYSA-N 2 2 344.419 1.314 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnns2)CC1(C)C ZINC000940624300 700785757 /nfs/dbraw/zinc/78/57/57/700785757.db2.gz COKAKOLAFSFVTO-ZIAGYGMSSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cnns2)CC1(C)C ZINC000940624300 700785760 /nfs/dbraw/zinc/78/57/60/700785760.db2.gz COKAKOLAFSFVTO-ZIAGYGMSSA-N 2 2 337.493 1.349 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cnns2)CC1(C)C ZINC000940624300 700785762 /nfs/dbraw/zinc/78/57/62/700785762.db2.gz COKAKOLAFSFVTO-ZIAGYGMSSA-N 2 2 337.493 1.349 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cnns2)CC1(C)C ZINC000940624300 700785764 /nfs/dbraw/zinc/78/57/64/700785764.db2.gz COKAKOLAFSFVTO-ZIAGYGMSSA-N 2 2 337.493 1.349 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000940762757 700884472 /nfs/dbraw/zinc/88/44/72/700884472.db2.gz AXUCCZLBECUJEA-MRXNPFEDSA-N 2 2 348.491 1.361 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000940762757 700884474 /nfs/dbraw/zinc/88/44/74/700884474.db2.gz AXUCCZLBECUJEA-MRXNPFEDSA-N 2 2 348.491 1.361 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccon3)CC2(C)C)CC[N@@H+]1C ZINC000940756891 700892101 /nfs/dbraw/zinc/89/21/01/700892101.db2.gz LYZKKSVUAFUHOX-BMFZPTHFSA-N 2 2 334.464 1.732 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccon3)CC2(C)C)CC[N@H+]1C ZINC000940756891 700892102 /nfs/dbraw/zinc/89/21/02/700892102.db2.gz LYZKKSVUAFUHOX-BMFZPTHFSA-N 2 2 334.464 1.732 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccon3)CC2(C)C)CC[NH+]1C ZINC000940756891 700892103 /nfs/dbraw/zinc/89/21/03/700892103.db2.gz LYZKKSVUAFUHOX-BMFZPTHFSA-N 2 2 334.464 1.732 20 0 EDADLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccon3)CC2(C)C)CC[NH+]1C ZINC000940756891 700892104 /nfs/dbraw/zinc/89/21/04/700892104.db2.gz LYZKKSVUAFUHOX-BMFZPTHFSA-N 2 2 334.464 1.732 20 0 EDADLP Cc1cncc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)c1 ZINC001031920323 701057735 /nfs/dbraw/zinc/05/77/35/701057735.db2.gz ZPVPOFCGSPRSTQ-GOSISDBHSA-N 2 2 346.475 1.047 20 0 EDADLP Cc1cncc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)c1 ZINC001031920323 701057736 /nfs/dbraw/zinc/05/77/36/701057736.db2.gz ZPVPOFCGSPRSTQ-GOSISDBHSA-N 2 2 346.475 1.047 20 0 EDADLP O=C(NCC1C[NH+](CCC2CC2)C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001031920425 701058303 /nfs/dbraw/zinc/05/83/03/701058303.db2.gz FLQGPNZATLNWPT-GOSISDBHSA-N 2 2 335.492 1.478 20 0 EDADLP O=C(NCC1C[NH+](CCC2CC2)C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001031920425 701058305 /nfs/dbraw/zinc/05/83/05/701058305.db2.gz FLQGPNZATLNWPT-GOSISDBHSA-N 2 2 335.492 1.478 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000941022175 701062762 /nfs/dbraw/zinc/06/27/62/701062762.db2.gz LJCUNDWJNYRLGD-ZFWWWQNUSA-N 2 2 334.464 1.429 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000941022175 701062764 /nfs/dbraw/zinc/06/27/64/701062764.db2.gz LJCUNDWJNYRLGD-ZFWWWQNUSA-N 2 2 334.464 1.429 20 0 EDADLP O=C(N[C@@H]1CC[C@@H](C[NH2+]CC2CC2)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000995116868 701067065 /nfs/dbraw/zinc/06/70/65/701067065.db2.gz YZRIMIAMXFJULD-QZTJIDSGSA-N 2 2 349.519 1.916 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cn(C)nn2)CC1(C)C ZINC000941032613 701074830 /nfs/dbraw/zinc/07/48/30/701074830.db2.gz IVGROEYQDMMCMU-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cn(C)nn2)CC1(C)C ZINC000941032613 701074834 /nfs/dbraw/zinc/07/48/34/701074834.db2.gz IVGROEYQDMMCMU-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nn2)CC1(C)C ZINC000941032613 701074837 /nfs/dbraw/zinc/07/48/37/701074837.db2.gz IVGROEYQDMMCMU-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nn2)CC1(C)C ZINC000941032613 701074840 /nfs/dbraw/zinc/07/48/40/701074840.db2.gz IVGROEYQDMMCMU-ZBFHGGJFSA-N 2 2 348.495 1.016 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995118206 701086471 /nfs/dbraw/zinc/08/64/71/701086471.db2.gz SHBHHRDYKZWXMR-SWLSCSKDSA-N 2 2 331.395 1.561 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941123323 701181148 /nfs/dbraw/zinc/18/11/48/701181148.db2.gz GHJCTTHIOHQHJI-INIZCTEOSA-N 2 2 349.479 1.518 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941123323 701181149 /nfs/dbraw/zinc/18/11/49/701181149.db2.gz GHJCTTHIOHQHJI-INIZCTEOSA-N 2 2 349.479 1.518 20 0 EDADLP CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000941141668 701202345 /nfs/dbraw/zinc/20/23/45/701202345.db2.gz HFKKCZZSIHBBTQ-MRXNPFEDSA-N 2 2 343.431 1.090 20 0 EDADLP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000941141668 701202349 /nfs/dbraw/zinc/20/23/49/701202349.db2.gz HFKKCZZSIHBBTQ-MRXNPFEDSA-N 2 2 343.431 1.090 20 0 EDADLP CC1(C)C[N@H+](CC[C@@H]2CCOC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941130649 701208333 /nfs/dbraw/zinc/20/83/33/701208333.db2.gz UZCMZHBZJVMNAP-HUUCEWRRSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@@H+](CC[C@@H]2CCOC2)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941130649 701208334 /nfs/dbraw/zinc/20/83/34/701208334.db2.gz UZCMZHBZJVMNAP-HUUCEWRRSA-N 2 2 334.464 1.596 20 0 EDADLP CC1(C)C[N@H+](Cc2cnns2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166334 701377269 /nfs/dbraw/zinc/37/72/69/701377269.db2.gz FYWMTIBWVNYGPL-AWEZNQCLSA-N 2 2 349.504 1.351 20 0 EDADLP CC1(C)C[N@@H+](Cc2cnns2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166334 701377270 /nfs/dbraw/zinc/37/72/70/701377270.db2.gz FYWMTIBWVNYGPL-AWEZNQCLSA-N 2 2 349.504 1.351 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)CC1(C)C ZINC000941167702 701378842 /nfs/dbraw/zinc/37/88/42/701378842.db2.gz ZBMYHENFQBHPCS-QGZVFWFLSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)CC1(C)C ZINC000941167702 701378843 /nfs/dbraw/zinc/37/88/43/701378843.db2.gz ZBMYHENFQBHPCS-QGZVFWFLSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1ncoc1C[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031931181 701379033 /nfs/dbraw/zinc/37/90/33/701379033.db2.gz GEBBWLIAWAEIHX-UHFFFAOYSA-N 2 2 332.404 1.499 20 0 EDADLP CC[C@@H](C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1)OC ZINC000941186835 701391241 /nfs/dbraw/zinc/39/12/41/701391241.db2.gz RTLQQPRZHSVPFH-GOEBONIOSA-N 2 2 336.480 1.902 20 0 EDADLP CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1)OC ZINC000941186835 701391242 /nfs/dbraw/zinc/39/12/42/701391242.db2.gz RTLQQPRZHSVPFH-GOEBONIOSA-N 2 2 336.480 1.902 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217247 701403335 /nfs/dbraw/zinc/40/33/35/701403335.db2.gz LBSIGECFNXYTKV-HUUCEWRRSA-N 2 2 333.480 1.089 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217247 701403336 /nfs/dbraw/zinc/40/33/36/701403336.db2.gz LBSIGECFNXYTKV-HUUCEWRRSA-N 2 2 333.480 1.089 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217247 701403337 /nfs/dbraw/zinc/40/33/37/701403337.db2.gz LBSIGECFNXYTKV-HUUCEWRRSA-N 2 2 333.480 1.089 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217247 701403338 /nfs/dbraw/zinc/40/33/38/701403338.db2.gz LBSIGECFNXYTKV-HUUCEWRRSA-N 2 2 333.480 1.089 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001032133508 701885332 /nfs/dbraw/zinc/88/53/32/701885332.db2.gz HDMMUPNFMPPEIS-UHFFFAOYSA-N 2 2 331.445 1.466 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000995180251 701945537 /nfs/dbraw/zinc/94/55/37/701945537.db2.gz DRNHRLCHQLQVHU-GOEBONIOSA-N 2 2 344.463 1.377 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)cc3C)C2)C1 ZINC001032203147 701957804 /nfs/dbraw/zinc/95/78/04/701957804.db2.gz ZSZLPAKQSLWHIJ-GOSISDBHSA-N 2 2 349.450 1.403 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(F)cc3C)C2)C1 ZINC001032203147 701957808 /nfs/dbraw/zinc/95/78/08/701957808.db2.gz ZSZLPAKQSLWHIJ-GOSISDBHSA-N 2 2 349.450 1.403 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000944444083 702029324 /nfs/dbraw/zinc/02/93/24/702029324.db2.gz IJFCQCHZUZHIAG-MLGOLLRUSA-N 2 2 342.447 1.386 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000944444083 702029332 /nfs/dbraw/zinc/02/93/32/702029332.db2.gz IJFCQCHZUZHIAG-MLGOLLRUSA-N 2 2 342.447 1.386 20 0 EDADLP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1csnn1 ZINC000995827401 702100634 /nfs/dbraw/zinc/10/06/34/702100634.db2.gz YWQIGDASQJJBEX-HUUCEWRRSA-N 2 2 349.504 1.207 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(C)ncn2)C1 ZINC000995188877 702224628 /nfs/dbraw/zinc/22/46/28/702224628.db2.gz YHHNYMWNYQEDMX-CABCVRRESA-N 2 2 342.447 1.434 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000995189260 702227863 /nfs/dbraw/zinc/22/78/63/702227863.db2.gz ZZFDNVQHAQHHKC-CVEARBPZSA-N 2 2 334.464 1.562 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995973987 702358848 /nfs/dbraw/zinc/35/88/48/702358848.db2.gz GRUVFLFMSFMYHH-HUUCEWRRSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1nonc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995973987 702358855 /nfs/dbraw/zinc/35/88/55/702358855.db2.gz GRUVFLFMSFMYHH-HUUCEWRRSA-N 2 2 335.452 1.189 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944168518 702408560 /nfs/dbraw/zinc/40/85/60/702408560.db2.gz JBGXFOYBMISGBT-KBPBESRZSA-N 2 2 347.463 1.054 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944168518 702408564 /nfs/dbraw/zinc/40/85/64/702408564.db2.gz JBGXFOYBMISGBT-KBPBESRZSA-N 2 2 347.463 1.054 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001031986994 702410553 /nfs/dbraw/zinc/41/05/53/702410553.db2.gz OVOWGBNQPLAJCE-ARFHVFGLSA-N 2 2 332.448 1.141 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C(C)(C)C1 ZINC000996040740 702455867 /nfs/dbraw/zinc/45/58/67/702455867.db2.gz CNXCCGLZIQYBQE-TZMCWYRMSA-N 2 2 345.451 1.206 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C(C)(C)C1 ZINC000996089338 702498854 /nfs/dbraw/zinc/49/88/54/702498854.db2.gz ZQFIZWWWYAAZNB-JKSUJKDBSA-N 2 2 348.491 1.748 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC000996077070 702525493 /nfs/dbraw/zinc/52/54/93/702525493.db2.gz XMHHYHGVRACQLB-JKSUJKDBSA-N 2 2 348.491 1.748 20 0 EDADLP COc1cccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)n1 ZINC000996355365 702733037 /nfs/dbraw/zinc/73/30/37/702733037.db2.gz KYKXHJOBJMOKFD-OAHLLOKOSA-N 2 2 343.431 1.383 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)C1 ZINC000996456099 702800516 /nfs/dbraw/zinc/80/05/16/702800516.db2.gz IBUKSSZAVNFMAX-NRXISQOPSA-N 2 2 334.464 1.594 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n1 ZINC000996518353 702853620 /nfs/dbraw/zinc/85/36/20/702853620.db2.gz DJACTTVMHILLNL-GXTWGEPZSA-N 2 2 347.463 1.361 20 0 EDADLP Cc1noc([C@H](C)[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC2(C)C)n1 ZINC000996611720 702916926 /nfs/dbraw/zinc/91/69/26/702916926.db2.gz OHTPMCISVDWHBI-FZMZJTMJSA-N 2 2 346.435 1.471 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996652436 702941961 /nfs/dbraw/zinc/94/19/61/702941961.db2.gz VLYLRRPMIPOBGI-UHFFFAOYSA-N 2 2 334.464 1.740 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996652436 702941963 /nfs/dbraw/zinc/94/19/63/702941963.db2.gz VLYLRRPMIPOBGI-UHFFFAOYSA-N 2 2 334.464 1.740 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000996649070 702950606 /nfs/dbraw/zinc/95/06/06/702950606.db2.gz BDCGZZYPEGFSGK-GOSISDBHSA-N 2 2 348.491 1.864 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000996649070 702950607 /nfs/dbraw/zinc/95/06/07/702950607.db2.gz BDCGZZYPEGFSGK-GOSISDBHSA-N 2 2 348.491 1.864 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996684390 702982311 /nfs/dbraw/zinc/98/23/11/702982311.db2.gz LUNAFNVLJHHXBP-FVQBIDKESA-N 2 2 332.448 1.520 20 0 EDADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996684390 702982314 /nfs/dbraw/zinc/98/23/14/702982314.db2.gz LUNAFNVLJHHXBP-FVQBIDKESA-N 2 2 332.448 1.520 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000995255736 703000399 /nfs/dbraw/zinc/00/03/99/703000399.db2.gz XKWRSSNCKHLGRA-IRXDYDNUSA-N 2 2 342.443 1.966 20 0 EDADLP CCc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC000995255614 703009132 /nfs/dbraw/zinc/00/91/32/703009132.db2.gz WVICHVPBFYYWHU-KBPBESRZSA-N 2 2 347.488 1.977 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032026629 703044598 /nfs/dbraw/zinc/04/45/98/703044598.db2.gz HEWOBQGYMFTIMY-SFHVURJKSA-N 2 2 345.491 1.596 20 0 EDADLP Cc1nccnc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032026629 703044600 /nfs/dbraw/zinc/04/46/00/703044600.db2.gz HEWOBQGYMFTIMY-SFHVURJKSA-N 2 2 345.491 1.596 20 0 EDADLP C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555878 703069856 /nfs/dbraw/zinc/06/98/56/703069856.db2.gz RBVGGRMWCJAWBS-LSDHHAIUSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ncnn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555878 703069859 /nfs/dbraw/zinc/06/98/59/703069859.db2.gz RBVGGRMWCJAWBS-LSDHHAIUSA-N 2 2 348.495 1.016 20 0 EDADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C(F)(F)F ZINC000996821729 703109188 /nfs/dbraw/zinc/10/91/88/703109188.db2.gz ACEABJMQGALORI-YPMHNXCESA-N 2 2 332.370 1.977 20 0 EDADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC000996821729 703109191 /nfs/dbraw/zinc/10/91/91/703109191.db2.gz ACEABJMQGALORI-YPMHNXCESA-N 2 2 332.370 1.977 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000996860456 703143862 /nfs/dbraw/zinc/14/38/62/703143862.db2.gz SASHSTSWAYKJEO-MAUKXSAKSA-N 2 2 332.448 1.280 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)cn1 ZINC001032042329 703197956 /nfs/dbraw/zinc/19/79/56/703197956.db2.gz AJJRNHVAVOMOAY-QZTJIDSGSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)cn1 ZINC001032042329 703197958 /nfs/dbraw/zinc/19/79/58/703197958.db2.gz AJJRNHVAVOMOAY-QZTJIDSGSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)o1 ZINC000996992621 703249248 /nfs/dbraw/zinc/24/92/48/703249248.db2.gz WCGNSOJKMUEVPL-HNNXBMFYSA-N 2 2 343.431 1.907 20 0 EDADLP Cc1ccc(CC[NH+]2CC[C@H]2CNC(=O)[C@H]2C[N@H+](C)CCO2)cc1 ZINC001038136117 703276085 /nfs/dbraw/zinc/27/60/85/703276085.db2.gz KSYSUYIMIVJJQD-ZWKOTPCHSA-N 2 2 331.460 1.059 20 0 EDADLP Cc1ccc(CC[NH+]2CC[C@H]2CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC001038136117 703276086 /nfs/dbraw/zinc/27/60/86/703276086.db2.gz KSYSUYIMIVJJQD-ZWKOTPCHSA-N 2 2 331.460 1.059 20 0 EDADLP Cc1ccc(CC[N@H+]2CC[C@H]2CNC(=O)[C@H]2C[NH+](C)CCO2)cc1 ZINC001038136117 703276088 /nfs/dbraw/zinc/27/60/88/703276088.db2.gz KSYSUYIMIVJJQD-ZWKOTPCHSA-N 2 2 331.460 1.059 20 0 EDADLP Cc1ccc(CC[N@@H+]2CC[C@H]2CNC(=O)[C@H]2C[NH+](C)CCO2)cc1 ZINC001038136117 703276090 /nfs/dbraw/zinc/27/60/90/703276090.db2.gz KSYSUYIMIVJJQD-ZWKOTPCHSA-N 2 2 331.460 1.059 20 0 EDADLP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997027233 703279020 /nfs/dbraw/zinc/27/90/20/703279020.db2.gz MTPVQKXGEKNYCM-HUUCEWRRSA-N 2 2 343.431 1.601 20 0 EDADLP CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1=O ZINC000997050120 703298436 /nfs/dbraw/zinc/29/84/36/703298436.db2.gz OCANGKWDYLRBJO-HOCLYGCPSA-N 2 2 347.463 1.036 20 0 EDADLP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC000997083714 703321892 /nfs/dbraw/zinc/32/18/92/703321892.db2.gz INYGUYZOZAYZQX-KSTDHSDQSA-N 2 2 348.491 1.984 20 0 EDADLP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000997083714 703321894 /nfs/dbraw/zinc/32/18/94/703321894.db2.gz INYGUYZOZAYZQX-KSTDHSDQSA-N 2 2 348.491 1.984 20 0 EDADLP CC1CC(C[NH2+]C2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)CC2)C1 ZINC000997138380 703399176 /nfs/dbraw/zinc/39/91/76/703399176.db2.gz CKMFTWQDFCCNEM-UHFFFAOYSA-N 2 2 349.519 1.868 20 0 EDADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703401 706752786 /nfs/dbraw/zinc/75/27/86/706752786.db2.gz TYHFTVICJDIPPG-JQFCIGGWSA-N 2 2 341.415 1.201 20 0 EDADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703401 706752790 /nfs/dbraw/zinc/75/27/90/706752790.db2.gz TYHFTVICJDIPPG-JQFCIGGWSA-N 2 2 341.415 1.201 20 0 EDADLP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](Cc2cnon2)CC1 ZINC000997289012 703550571 /nfs/dbraw/zinc/55/05/71/703550571.db2.gz GMXGCFJHOQWKQN-CYBMUJFWSA-N 2 2 335.452 1.128 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032485135 703739971 /nfs/dbraw/zinc/73/99/71/703739971.db2.gz BEYIYQBNPZYJGW-NJAFHUGGSA-N 2 2 328.460 1.921 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032485135 703739972 /nfs/dbraw/zinc/73/99/72/703739972.db2.gz BEYIYQBNPZYJGW-NJAFHUGGSA-N 2 2 328.460 1.921 20 0 EDADLP CCc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997516579 703765812 /nfs/dbraw/zinc/76/58/12/703765812.db2.gz SHLPALOJRQFOSH-ZFWWWQNUSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997516579 703765815 /nfs/dbraw/zinc/76/58/15/703765815.db2.gz SHLPALOJRQFOSH-ZFWWWQNUSA-N 2 2 349.479 1.443 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001004201308 703928645 /nfs/dbraw/zinc/92/86/45/703928645.db2.gz MOHJTDSAEBFJRW-MRXNPFEDSA-N 2 2 333.480 1.375 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001004201308 703928647 /nfs/dbraw/zinc/92/86/47/703928647.db2.gz MOHJTDSAEBFJRW-MRXNPFEDSA-N 2 2 333.480 1.375 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001004202603 703935242 /nfs/dbraw/zinc/93/52/42/703935242.db2.gz DTKZAOCGQSGDRE-HUUCEWRRSA-N 2 2 333.480 1.374 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997642962 703950869 /nfs/dbraw/zinc/95/08/69/703950869.db2.gz XBKAWPQEHCWNJI-BBRMVZONSA-N 2 2 349.479 1.579 20 0 EDADLP Cc1noc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997642962 703950873 /nfs/dbraw/zinc/95/08/73/703950873.db2.gz XBKAWPQEHCWNJI-BBRMVZONSA-N 2 2 349.479 1.579 20 0 EDADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCCOCC1 ZINC000922610574 704144529 /nfs/dbraw/zinc/14/45/29/704144529.db2.gz UGKBQOUXMGNVOI-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCCOCC1 ZINC000922610574 704144530 /nfs/dbraw/zinc/14/45/30/704144530.db2.gz UGKBQOUXMGNVOI-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000922610574 704144531 /nfs/dbraw/zinc/14/45/31/704144531.db2.gz UGKBQOUXMGNVOI-INIZCTEOSA-N 2 2 326.485 1.080 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ncc(C)o3)C2)CC[N@@H+]1C ZINC001033096721 704185119 /nfs/dbraw/zinc/18/51/19/704185119.db2.gz PDEVEYLQPOYWLC-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ncc(C)o3)C2)CC[N@H+]1C ZINC001033096721 704185121 /nfs/dbraw/zinc/18/51/21/704185121.db2.gz PDEVEYLQPOYWLC-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ncc(C)o3)C2)CC[NH+]1C ZINC001033096721 704185123 /nfs/dbraw/zinc/18/51/23/704185123.db2.gz PDEVEYLQPOYWLC-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ncc(C)o3)C2)CC[NH+]1C ZINC001033096721 704185125 /nfs/dbraw/zinc/18/51/25/704185125.db2.gz PDEVEYLQPOYWLC-OWCLPIDISA-N 2 2 334.464 1.746 20 0 EDADLP CN1CC[N@H+](C)CC(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922667440 704205919 /nfs/dbraw/zinc/20/59/19/704205919.db2.gz MJFUSWOBKSZJQM-GOSISDBHSA-N 2 2 341.459 1.234 20 0 EDADLP CN1CC[N@@H+](C)CC(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000922667440 704205922 /nfs/dbraw/zinc/20/59/22/704205922.db2.gz MJFUSWOBKSZJQM-GOSISDBHSA-N 2 2 341.459 1.234 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)[nH]1 ZINC000997737630 704634931 /nfs/dbraw/zinc/63/49/31/704634931.db2.gz KHMVHEANQVKBML-GFCCVEGCSA-N 2 2 345.451 1.358 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)nc1 ZINC000997739681 704637809 /nfs/dbraw/zinc/63/78/09/704637809.db2.gz XNIRPKNNCKOQBE-UHFFFAOYSA-N 2 2 342.447 1.469 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001032550494 704684883 /nfs/dbraw/zinc/68/48/83/704684883.db2.gz UJUSMUWHDVRDEJ-ILXRZTDVSA-N 2 2 338.402 1.994 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCC(F)(F)C1 ZINC001032550494 704684885 /nfs/dbraw/zinc/68/48/85/704684885.db2.gz UJUSMUWHDVRDEJ-ILXRZTDVSA-N 2 2 338.402 1.994 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997868546 704774156 /nfs/dbraw/zinc/77/41/56/704774156.db2.gz WEWIVTPYYDCWLX-ZFWWWQNUSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997868546 704774157 /nfs/dbraw/zinc/77/41/57/704774157.db2.gz WEWIVTPYYDCWLX-ZFWWWQNUSA-N 2 2 349.479 1.300 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944965069 704835140 /nfs/dbraw/zinc/83/51/40/704835140.db2.gz POZNIQGXEYQWDR-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@@H](C)C2)o1 ZINC000944965069 704835146 /nfs/dbraw/zinc/83/51/46/704835146.db2.gz POZNIQGXEYQWDR-LRDDRELGSA-N 2 2 331.420 1.515 20 0 EDADLP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001032585843 705073497 /nfs/dbraw/zinc/07/34/97/705073497.db2.gz WTTDLQWRXSBHMQ-OKZBNKHCSA-N 2 2 335.492 1.571 20 0 EDADLP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001032585843 705073499 /nfs/dbraw/zinc/07/34/99/705073499.db2.gz WTTDLQWRXSBHMQ-OKZBNKHCSA-N 2 2 335.492 1.571 20 0 EDADLP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001032585843 705073504 /nfs/dbraw/zinc/07/35/04/705073504.db2.gz WTTDLQWRXSBHMQ-OKZBNKHCSA-N 2 2 335.492 1.571 20 0 EDADLP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001032585843 705073508 /nfs/dbraw/zinc/07/35/08/705073508.db2.gz WTTDLQWRXSBHMQ-OKZBNKHCSA-N 2 2 335.492 1.571 20 0 EDADLP Cc1cncc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC000998113725 705364044 /nfs/dbraw/zinc/36/40/44/705364044.db2.gz ARPNGXXAYAWGJP-UHFFFAOYSA-N 2 2 327.432 1.684 20 0 EDADLP CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998117609 705366716 /nfs/dbraw/zinc/36/67/16/705366716.db2.gz SCZHGGNNDYGEOS-JKSUJKDBSA-N 2 2 348.491 1.915 20 0 EDADLP CCN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000998117609 705366720 /nfs/dbraw/zinc/36/67/20/705366720.db2.gz SCZHGGNNDYGEOS-JKSUJKDBSA-N 2 2 348.491 1.915 20 0 EDADLP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000998138382 705404004 /nfs/dbraw/zinc/40/40/04/705404004.db2.gz HJFGYJHWXSTTLP-CYBMUJFWSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000998138382 705404009 /nfs/dbraw/zinc/40/40/09/705404009.db2.gz HJFGYJHWXSTTLP-CYBMUJFWSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC000998243743 705583167 /nfs/dbraw/zinc/58/31/67/705583167.db2.gz IBJLCIPUIQWNJE-LBPRGKRZSA-N 2 2 346.435 1.541 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998254472 705611226 /nfs/dbraw/zinc/61/12/26/705611226.db2.gz NWLYKVINECLSJS-UHFFFAOYSA-N 2 2 341.459 1.776 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032627535 705730972 /nfs/dbraw/zinc/73/09/72/705730972.db2.gz ZOXHWHNJRISNBY-BPUTZDHNSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1noc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032627535 705730974 /nfs/dbraw/zinc/73/09/74/705730974.db2.gz ZOXHWHNJRISNBY-BPUTZDHNSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001032627535 705730977 /nfs/dbraw/zinc/73/09/77/705730977.db2.gz ZOXHWHNJRISNBY-BPUTZDHNSA-N 2 2 346.475 1.815 20 0 EDADLP CCc1noc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001032627535 705730979 /nfs/dbraw/zinc/73/09/79/705730979.db2.gz ZOXHWHNJRISNBY-BPUTZDHNSA-N 2 2 346.475 1.815 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(OC)c1)[NH+](C)C ZINC001032634572 705899419 /nfs/dbraw/zinc/89/94/19/705899419.db2.gz NCDLCQCQKLRDMF-BQFCYCMXSA-N 2 2 331.460 1.821 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(OC)c1)[NH+](C)C ZINC001032634572 705899423 /nfs/dbraw/zinc/89/94/23/705899423.db2.gz NCDLCQCQKLRDMF-BQFCYCMXSA-N 2 2 331.460 1.821 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000998987987 706419642 /nfs/dbraw/zinc/41/96/42/706419642.db2.gz QEDXAMBCIUVRCH-ODIFPOPNSA-N 2 2 347.459 1.638 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999007464 706427456 /nfs/dbraw/zinc/42/74/56/706427456.db2.gz NZJPFNZOQHNHAG-MXWWQKGMSA-N 2 2 339.443 1.620 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000999373007 706867521 /nfs/dbraw/zinc/86/75/21/706867521.db2.gz PYJFDAAKOSYFEQ-KGLIPLIRSA-N 2 2 345.472 1.998 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999426592 706933464 /nfs/dbraw/zinc/93/34/64/706933464.db2.gz VERGDRDBRNZYCD-NEXFUWMNSA-N 2 2 342.447 1.036 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999488775 707024672 /nfs/dbraw/zinc/02/46/72/707024672.db2.gz GYNHTKMSKUPFEO-DOTOQJQBSA-N 2 2 347.459 1.640 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)C)o2)C1)[NH+](C)C ZINC000999493344 707029700 /nfs/dbraw/zinc/02/97/00/707029700.db2.gz DPMBJRCOJNVFLI-ZIAGYGMSSA-N 2 2 337.468 1.614 20 0 EDADLP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999534983 707035454 /nfs/dbraw/zinc/03/54/54/707035454.db2.gz IVXJJKUBJZQTQL-GJZGRUSLSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999538890 707039629 /nfs/dbraw/zinc/03/96/29/707039629.db2.gz ZZOVFEQGYXMKQQ-SJORKVTESA-N 2 2 346.475 1.453 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)o1 ZINC000999549544 707049047 /nfs/dbraw/zinc/04/90/47/707049047.db2.gz UAEXKGGZJZXNCW-GJZGRUSLSA-N 2 2 343.431 1.523 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)[nH]1 ZINC000999612840 707129304 /nfs/dbraw/zinc/12/93/04/707129304.db2.gz GGWDNLWFINRUPM-AWEZNQCLSA-N 2 2 339.403 1.155 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC)C[C@H]2CC1 ZINC000946697251 707144428 /nfs/dbraw/zinc/14/44/28/707144428.db2.gz PESKKVCHFZOWSG-FGTMMUONSA-N 2 2 337.508 1.678 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC)C[C@H]2CC1 ZINC000946697251 707144434 /nfs/dbraw/zinc/14/44/34/707144434.db2.gz PESKKVCHFZOWSG-FGTMMUONSA-N 2 2 337.508 1.678 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC)C[C@H]2CC1 ZINC000946697251 707144437 /nfs/dbraw/zinc/14/44/37/707144437.db2.gz PESKKVCHFZOWSG-FGTMMUONSA-N 2 2 337.508 1.678 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC)C[C@H]2CC1 ZINC000946697251 707144440 /nfs/dbraw/zinc/14/44/40/707144440.db2.gz PESKKVCHFZOWSG-FGTMMUONSA-N 2 2 337.508 1.678 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CCc2ccns2)C1 ZINC000999700830 707230789 /nfs/dbraw/zinc/23/07/89/707230789.db2.gz ZJZGEQWPKRBEKG-UHFFFAOYSA-N 2 2 347.488 1.966 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)cs1 ZINC000999687748 707241934 /nfs/dbraw/zinc/24/19/34/707241934.db2.gz IQOYBVIJVZFGTF-UHFFFAOYSA-N 2 2 347.488 1.761 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC000999690310 707246877 /nfs/dbraw/zinc/24/68/77/707246877.db2.gz WURCMWXTBHTOTC-ZBCRRDGASA-N 2 2 334.464 1.357 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001033264287 707285562 /nfs/dbraw/zinc/28/55/62/707285562.db2.gz BYQQTGPAYWBZKC-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC001033264287 707285568 /nfs/dbraw/zinc/28/55/68/707285568.db2.gz BYQQTGPAYWBZKC-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001033266772 707294623 /nfs/dbraw/zinc/29/46/23/707294623.db2.gz RTPJPMVPWNREFZ-ZDUSSCGKSA-N 2 2 334.449 1.084 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001033266772 707294625 /nfs/dbraw/zinc/29/46/25/707294625.db2.gz RTPJPMVPWNREFZ-ZDUSSCGKSA-N 2 2 334.449 1.084 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)on1 ZINC001033268760 707310992 /nfs/dbraw/zinc/31/09/92/707310992.db2.gz BQFRZJNXAZVNPS-MRXNPFEDSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc4c[nH+]cn4c3)C2)on1 ZINC001033268760 707310998 /nfs/dbraw/zinc/31/09/98/707310998.db2.gz BQFRZJNXAZVNPS-MRXNPFEDSA-N 2 2 339.399 1.977 20 0 EDADLP C[C@H]([NH2+]Cc1ccon1)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004844886 707412547 /nfs/dbraw/zinc/41/25/47/707412547.db2.gz HDTMGINOFBLALP-DZGCQCFKSA-N 2 2 331.420 1.890 20 0 EDADLP COc1nccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033199458 707448659 /nfs/dbraw/zinc/44/86/59/707448659.db2.gz UDZILIYAPCRMED-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033199458 707448662 /nfs/dbraw/zinc/44/86/62/707448662.db2.gz UDZILIYAPCRMED-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC001033199458 707448665 /nfs/dbraw/zinc/44/86/65/707448665.db2.gz UDZILIYAPCRMED-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP COc1nccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC001033199458 707448667 /nfs/dbraw/zinc/44/86/67/707448667.db2.gz UDZILIYAPCRMED-HZPDHXFCSA-N 2 2 347.463 1.002 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033317858 707505918 /nfs/dbraw/zinc/50/59/18/707505918.db2.gz DJXUZTVCXZGXLZ-INIZCTEOSA-N 2 2 345.491 1.692 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033317858 707505920 /nfs/dbraw/zinc/50/59/20/707505920.db2.gz DJXUZTVCXZGXLZ-INIZCTEOSA-N 2 2 345.491 1.692 20 0 EDADLP COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000999916016 707558024 /nfs/dbraw/zinc/55/80/24/707558024.db2.gz MWBJIRGBALPDRR-UHFFFAOYSA-N 2 2 328.416 1.671 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000999917576 707559876 /nfs/dbraw/zinc/55/98/76/707559876.db2.gz UTEAWRHEOKNXKN-UHFFFAOYSA-N 2 2 333.823 1.711 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cnon1 ZINC001004903558 707594635 /nfs/dbraw/zinc/59/46/35/707594635.db2.gz WIHWUURVOZJRMY-ZFWWWQNUSA-N 2 2 332.408 1.134 20 0 EDADLP C[C@H]([NH2+]Cc1cnns1)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004918129 707621616 /nfs/dbraw/zinc/62/16/16/707621616.db2.gz ITDYUSSBQBHFBB-DZGCQCFKSA-N 2 2 348.476 1.684 20 0 EDADLP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004944673 707692571 /nfs/dbraw/zinc/69/25/71/707692571.db2.gz HDKIFLJBRHBSSH-CZUORRHYSA-N 2 2 330.436 1.245 20 0 EDADLP Cc1nnsc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004958665 707714059 /nfs/dbraw/zinc/71/40/59/707714059.db2.gz WJJKIDSEVHLKBU-RISCZKNCSA-N 2 2 348.476 1.672 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033391477 707723795 /nfs/dbraw/zinc/72/37/95/707723795.db2.gz SSIMSMMQWXOGRZ-HNNXBMFYSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033391477 707723799 /nfs/dbraw/zinc/72/37/99/707723799.db2.gz SSIMSMMQWXOGRZ-HNNXBMFYSA-N 2 2 334.464 1.612 20 0 EDADLP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001032728374 707723864 /nfs/dbraw/zinc/72/38/64/707723864.db2.gz WUVNXFPCBOITPG-BPUTZDHNSA-N 2 2 343.406 1.914 20 0 EDADLP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001032728374 707723870 /nfs/dbraw/zinc/72/38/70/707723870.db2.gz WUVNXFPCBOITPG-BPUTZDHNSA-N 2 2 343.406 1.914 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001004962368 707784864 /nfs/dbraw/zinc/78/48/64/707784864.db2.gz BRVLBVDMWRSWSD-AAEUAGOBSA-N 2 2 348.476 1.672 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)nn1 ZINC001033416164 707794255 /nfs/dbraw/zinc/79/42/55/707794255.db2.gz OIOVPTCOVAORIV-GOEBONIOSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)nn1 ZINC001033416164 707794258 /nfs/dbraw/zinc/79/42/58/707794258.db2.gz OIOVPTCOVAORIV-GOEBONIOSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001033416164 707794260 /nfs/dbraw/zinc/79/42/60/707794260.db2.gz OIOVPTCOVAORIV-GOEBONIOSA-N 2 2 347.463 1.002 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001033416164 707794264 /nfs/dbraw/zinc/79/42/64/707794264.db2.gz OIOVPTCOVAORIV-GOEBONIOSA-N 2 2 347.463 1.002 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C1CCCCC1 ZINC001032754132 707832088 /nfs/dbraw/zinc/83/20/88/707832088.db2.gz XZTWJBZMTVNPTP-XYJFISCASA-N 2 2 346.475 1.487 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)C1CCCCC1 ZINC001032754132 707832092 /nfs/dbraw/zinc/83/20/92/707832092.db2.gz XZTWJBZMTVNPTP-XYJFISCASA-N 2 2 346.475 1.487 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001061604203 707848302 /nfs/dbraw/zinc/84/83/02/707848302.db2.gz KRSXXCUKRDQZIS-GDBMZVCRSA-N 2 2 343.475 1.557 20 0 EDADLP Cc1cc(N2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc(C2CC2)[nH+]1 ZINC001061604203 707848304 /nfs/dbraw/zinc/84/83/04/707848304.db2.gz KRSXXCUKRDQZIS-GDBMZVCRSA-N 2 2 343.475 1.557 20 0 EDADLP C[C@@H]([NH2+]Cc1cnsn1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004991266 707855555 /nfs/dbraw/zinc/85/55/55/707855555.db2.gz KPPGFYMRSNZEOP-UKRRQHHQSA-N 2 2 337.493 1.493 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001033467022 707924871 /nfs/dbraw/zinc/92/48/71/707924871.db2.gz NGCTXAPCYWDSFP-INIZCTEOSA-N 2 2 344.463 1.473 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001033467022 707924875 /nfs/dbraw/zinc/92/48/75/707924875.db2.gz NGCTXAPCYWDSFP-INIZCTEOSA-N 2 2 344.463 1.473 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001033474934 707964327 /nfs/dbraw/zinc/96/43/27/707964327.db2.gz LIHGRGHEKYIQIX-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC001033474934 707964329 /nfs/dbraw/zinc/96/43/29/707964329.db2.gz LIHGRGHEKYIQIX-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP c1nn(CC2CCC2)cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000921747358 707967147 /nfs/dbraw/zinc/96/71/47/707967147.db2.gz NRVDVPIWLATSHS-IBGZPJMESA-N 2 2 347.507 1.179 20 0 EDADLP O=c1[nH]c2cccc(C[NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)c2o1 ZINC000921747052 707968105 /nfs/dbraw/zinc/96/81/05/707968105.db2.gz LLFGXNHZDCPHQB-HNNXBMFYSA-N 2 2 346.431 1.030 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000921749049 707969652 /nfs/dbraw/zinc/96/96/52/707969652.db2.gz BRIRMJGSMGZNIB-MAUKXSAKSA-N 2 2 341.459 1.809 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000921749049 707969654 /nfs/dbraw/zinc/96/96/54/707969654.db2.gz BRIRMJGSMGZNIB-MAUKXSAKSA-N 2 2 341.459 1.809 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1F ZINC001032783157 707973738 /nfs/dbraw/zinc/97/37/38/707973738.db2.gz UMHUEPUIXWZFTP-HOTGVXAUSA-N 2 2 328.391 1.816 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1F ZINC001032783157 707973741 /nfs/dbraw/zinc/97/37/41/707973741.db2.gz UMHUEPUIXWZFTP-HOTGVXAUSA-N 2 2 328.391 1.816 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061014315 708175320 /nfs/dbraw/zinc/17/53/20/708175320.db2.gz LDWHTXXXTZJDCS-CVEARBPZSA-N 2 2 331.464 1.920 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061014315 708175322 /nfs/dbraw/zinc/17/53/22/708175322.db2.gz LDWHTXXXTZJDCS-CVEARBPZSA-N 2 2 331.464 1.920 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)oc1C ZINC001033582346 708264348 /nfs/dbraw/zinc/26/43/48/708264348.db2.gz OGVLZATZQOJKGL-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)oc1C ZINC001033582346 708264350 /nfs/dbraw/zinc/26/43/50/708264350.db2.gz OGVLZATZQOJKGL-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)oc1C ZINC001033582346 708264352 /nfs/dbraw/zinc/26/43/52/708264352.db2.gz OGVLZATZQOJKGL-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)oc1C ZINC001033582346 708264354 /nfs/dbraw/zinc/26/43/54/708264354.db2.gz OGVLZATZQOJKGL-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033596232 708300778 /nfs/dbraw/zinc/30/07/78/708300778.db2.gz WYURWKOTPSYTJG-MRXNPFEDSA-N 2 2 342.443 1.574 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC001033596232 708300781 /nfs/dbraw/zinc/30/07/81/708300781.db2.gz WYURWKOTPSYTJG-MRXNPFEDSA-N 2 2 342.443 1.574 20 0 EDADLP CO[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001001823530 708325584 /nfs/dbraw/zinc/32/55/84/708325584.db2.gz ZWXFNUWDIKXJRU-UKRRQHHQSA-N 2 2 334.464 1.693 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3C)C2)C1 ZINC001033679741 708489987 /nfs/dbraw/zinc/48/99/87/708489987.db2.gz LJOLRPAZEHVMSC-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3C)C2)C1 ZINC001033679741 708489988 /nfs/dbraw/zinc/48/99/88/708489988.db2.gz LJOLRPAZEHVMSC-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cccnc3C)C2)C1 ZINC001033679741 708489989 /nfs/dbraw/zinc/48/99/89/708489989.db2.gz LJOLRPAZEHVMSC-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccnc3C)C2)C1 ZINC001033679741 708489990 /nfs/dbraw/zinc/48/99/90/708489990.db2.gz LJOLRPAZEHVMSC-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001033704257 708533216 /nfs/dbraw/zinc/53/32/16/708533216.db2.gz QQHZPZGIOZXBMW-IRXDYDNUSA-N 2 2 334.464 1.621 20 0 EDADLP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001033704257 708533218 /nfs/dbraw/zinc/53/32/18/708533218.db2.gz QQHZPZGIOZXBMW-IRXDYDNUSA-N 2 2 334.464 1.621 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC001033704419 708533331 /nfs/dbraw/zinc/53/33/31/708533331.db2.gz VAWDQVTZBQEJFJ-AWEZNQCLSA-N 2 2 348.397 1.937 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCc2c(F)cccc2F)C1 ZINC001033704419 708533333 /nfs/dbraw/zinc/53/33/33/708533333.db2.gz VAWDQVTZBQEJFJ-AWEZNQCLSA-N 2 2 348.397 1.937 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033832808 708856742 /nfs/dbraw/zinc/85/67/42/708856742.db2.gz AGQNIJQSUWBHNE-BPQIPLTHSA-N 2 2 347.507 1.492 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033832808 708856746 /nfs/dbraw/zinc/85/67/46/708856746.db2.gz AGQNIJQSUWBHNE-BPQIPLTHSA-N 2 2 347.507 1.492 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033832808 708856750 /nfs/dbraw/zinc/85/67/50/708856750.db2.gz AGQNIJQSUWBHNE-BPQIPLTHSA-N 2 2 347.507 1.492 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033832808 708856754 /nfs/dbraw/zinc/85/67/54/708856754.db2.gz AGQNIJQSUWBHNE-BPQIPLTHSA-N 2 2 347.507 1.492 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033875328 708941754 /nfs/dbraw/zinc/94/17/54/708941754.db2.gz QMEOIZDDHSZRQT-BPQIPLTHSA-N 2 2 346.475 1.224 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033875328 708941757 /nfs/dbraw/zinc/94/17/57/708941757.db2.gz QMEOIZDDHSZRQT-BPQIPLTHSA-N 2 2 346.475 1.224 20 0 EDADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033875328 708941758 /nfs/dbraw/zinc/94/17/58/708941758.db2.gz QMEOIZDDHSZRQT-BPQIPLTHSA-N 2 2 346.475 1.224 20 0 EDADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001033875328 708941760 /nfs/dbraw/zinc/94/17/60/708941760.db2.gz QMEOIZDDHSZRQT-BPQIPLTHSA-N 2 2 346.475 1.224 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001033932431 709090528 /nfs/dbraw/zinc/09/05/28/709090528.db2.gz NLVTWQYUSWYGDG-BNOHMRNQSA-N 2 2 343.899 1.771 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C(C)C)CCO1)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001033932431 709090529 /nfs/dbraw/zinc/09/05/29/709090529.db2.gz NLVTWQYUSWYGDG-BNOHMRNQSA-N 2 2 343.899 1.771 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001033932431 709090530 /nfs/dbraw/zinc/09/05/30/709090530.db2.gz NLVTWQYUSWYGDG-BNOHMRNQSA-N 2 2 343.899 1.771 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001033932431 709090531 /nfs/dbraw/zinc/09/05/31/709090531.db2.gz NLVTWQYUSWYGDG-BNOHMRNQSA-N 2 2 343.899 1.771 20 0 EDADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001034003684 709242899 /nfs/dbraw/zinc/24/28/99/709242899.db2.gz GSIZURQRTBGVOK-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001034003684 709242901 /nfs/dbraw/zinc/24/29/01/709242901.db2.gz GSIZURQRTBGVOK-MRXNPFEDSA-N 2 2 343.431 1.450 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](CCCO)C1 ZINC001034004514 709243773 /nfs/dbraw/zinc/24/37/73/709243773.db2.gz OAAYMEBWXIMFAR-SFHVURJKSA-N 2 2 342.443 1.791 20 0 EDADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001034004514 709243777 /nfs/dbraw/zinc/24/37/77/709243777.db2.gz OAAYMEBWXIMFAR-SFHVURJKSA-N 2 2 342.443 1.791 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002834992 709450752 /nfs/dbraw/zinc/45/07/52/709450752.db2.gz VRUSPINHGUZKHF-MRXNPFEDSA-N 2 2 332.448 1.405 20 0 EDADLP CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000922029933 709457412 /nfs/dbraw/zinc/45/74/12/709457412.db2.gz TZHZWWCNNYDANH-IRXDYDNUSA-N 2 2 343.537 1.464 20 0 EDADLP CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000922029933 709457414 /nfs/dbraw/zinc/45/74/14/709457414.db2.gz TZHZWWCNNYDANH-IRXDYDNUSA-N 2 2 343.537 1.464 20 0 EDADLP CC(C)C[C@H]1C[NH+](C)CCN1S(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000922029933 709457418 /nfs/dbraw/zinc/45/74/18/709457418.db2.gz TZHZWWCNNYDANH-IRXDYDNUSA-N 2 2 343.537 1.464 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001034309200 709751121 /nfs/dbraw/zinc/75/11/21/709751121.db2.gz JZPONPKSOPMLAO-QGZVFWFLSA-N 2 2 345.422 1.897 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001034309200 709751124 /nfs/dbraw/zinc/75/11/24/709751124.db2.gz JZPONPKSOPMLAO-QGZVFWFLSA-N 2 2 345.422 1.897 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1C ZINC001034394301 709929793 /nfs/dbraw/zinc/92/97/93/709929793.db2.gz KYRBCEFHJNBVCN-RDJZCZTQSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1C ZINC001034394301 709929794 /nfs/dbraw/zinc/92/97/94/709929794.db2.gz KYRBCEFHJNBVCN-RDJZCZTQSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)nn1C ZINC001034394301 709929795 /nfs/dbraw/zinc/92/97/95/709929795.db2.gz KYRBCEFHJNBVCN-RDJZCZTQSA-N 2 2 347.507 1.541 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)nn1C ZINC001034394301 709929796 /nfs/dbraw/zinc/92/97/96/709929796.db2.gz KYRBCEFHJNBVCN-RDJZCZTQSA-N 2 2 347.507 1.541 20 0 EDADLP CCn1nncc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400996 709945471 /nfs/dbraw/zinc/94/54/71/709945471.db2.gz ZFCPAWHHTWPDKV-HOTGVXAUSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001034400996 709945473 /nfs/dbraw/zinc/94/54/73/709945473.db2.gz ZFCPAWHHTWPDKV-HOTGVXAUSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001034400996 709945475 /nfs/dbraw/zinc/94/54/75/709945475.db2.gz ZFCPAWHHTWPDKV-HOTGVXAUSA-N 2 2 348.495 1.253 20 0 EDADLP CCn1nncc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034400996 709945476 /nfs/dbraw/zinc/94/54/76/709945476.db2.gz ZFCPAWHHTWPDKV-HOTGVXAUSA-N 2 2 348.495 1.253 20 0 EDADLP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@H+](Cc3ncccn3)C2)CC1 ZINC001034431197 709998522 /nfs/dbraw/zinc/99/85/22/709998522.db2.gz IYVFSFDVUGVWQR-KRWDZBQOSA-N 2 2 345.491 1.679 20 0 EDADLP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001034431197 709998523 /nfs/dbraw/zinc/99/85/23/709998523.db2.gz IYVFSFDVUGVWQR-KRWDZBQOSA-N 2 2 345.491 1.679 20 0 EDADLP COc1cc[nH+]cc1CC(=O)NC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC001003133470 710017496 /nfs/dbraw/zinc/01/74/96/710017496.db2.gz KBVSPXJVRQAJRD-RHSMWYFYSA-N 2 2 347.459 1.781 20 0 EDADLP Cc1conc1C[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001003135252 710021327 /nfs/dbraw/zinc/02/13/27/710021327.db2.gz SHKWCRPEIHIROA-UHFFFAOYSA-N 2 2 346.475 1.940 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cncs2)C1 ZINC001034483110 710126909 /nfs/dbraw/zinc/12/69/09/710126909.db2.gz AAWVNYXLEZQYGP-CYBMUJFWSA-N 2 2 333.461 1.590 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cncs2)C1 ZINC001034483110 710126912 /nfs/dbraw/zinc/12/69/12/710126912.db2.gz AAWVNYXLEZQYGP-CYBMUJFWSA-N 2 2 333.461 1.590 20 0 EDADLP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034486210 710133030 /nfs/dbraw/zinc/13/30/30/710133030.db2.gz YUCFMTYQPWOTPC-OAHLLOKOSA-N 2 2 331.420 1.430 20 0 EDADLP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034486210 710133031 /nfs/dbraw/zinc/13/30/31/710133031.db2.gz YUCFMTYQPWOTPC-OAHLLOKOSA-N 2 2 331.420 1.430 20 0 EDADLP CCn1ccnc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524816 710173985 /nfs/dbraw/zinc/17/39/85/710173985.db2.gz IDKUBAKLTBONAS-HOTGVXAUSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034524816 710173986 /nfs/dbraw/zinc/17/39/86/710173986.db2.gz IDKUBAKLTBONAS-HOTGVXAUSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034524816 710173987 /nfs/dbraw/zinc/17/39/87/710173987.db2.gz IDKUBAKLTBONAS-HOTGVXAUSA-N 2 2 333.480 1.325 20 0 EDADLP CCn1ccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034524816 710173988 /nfs/dbraw/zinc/17/39/88/710173988.db2.gz IDKUBAKLTBONAS-HOTGVXAUSA-N 2 2 333.480 1.325 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2ccns2)C1 ZINC001034530287 710187205 /nfs/dbraw/zinc/18/72/05/710187205.db2.gz UWHUPTIZLHJCAU-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2ccns2)C1 ZINC001034530287 710187207 /nfs/dbraw/zinc/18/72/07/710187207.db2.gz UWHUPTIZLHJCAU-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530392 710187323 /nfs/dbraw/zinc/18/73/23/710187323.db2.gz XEQBWUZTHVRABC-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001034530392 710187324 /nfs/dbraw/zinc/18/73/24/710187324.db2.gz XEQBWUZTHVRABC-HNNXBMFYSA-N 2 2 331.420 1.659 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001034546837 710220754 /nfs/dbraw/zinc/22/07/54/710220754.db2.gz KKYOCKIXHHAUGB-ZIAGYGMSSA-N 2 2 342.390 1.278 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001034546837 710220755 /nfs/dbraw/zinc/22/07/55/710220755.db2.gz KKYOCKIXHHAUGB-ZIAGYGMSSA-N 2 2 342.390 1.278 20 0 EDADLP Cc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547249 710221445 /nfs/dbraw/zinc/22/14/45/710221445.db2.gz NVANZSLYIHPUBC-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP Cc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547249 710221448 /nfs/dbraw/zinc/22/14/48/710221448.db2.gz NVANZSLYIHPUBC-QGZVFWFLSA-N 2 2 327.432 1.757 20 0 EDADLP CCc1nc(C)c(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC001034547467 710222071 /nfs/dbraw/zinc/22/20/71/710222071.db2.gz RHRWBNMGGBJQQQ-OAHLLOKOSA-N 2 2 345.447 1.913 20 0 EDADLP CCc1nc(C)c(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC001034547467 710222072 /nfs/dbraw/zinc/22/20/72/710222072.db2.gz RHRWBNMGGBJQQQ-OAHLLOKOSA-N 2 2 345.447 1.913 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC001034547773 710222472 /nfs/dbraw/zinc/22/24/72/710222472.db2.gz ZLYQBDYVQWXNBO-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC001034547773 710222473 /nfs/dbraw/zinc/22/24/73/710222473.db2.gz ZLYQBDYVQWXNBO-OAHLLOKOSA-N 2 2 331.420 1.659 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)c1ccc2c[nH+]cn2c1 ZINC001003309869 710238915 /nfs/dbraw/zinc/23/89/15/710238915.db2.gz GINNBFPMVWVHBI-UHFFFAOYSA-N 2 2 342.428 1.580 20 0 EDADLP Cn1ccc(C[NH+]2CCC(NC(=O)c3ccc4c[nH+]cn4c3)CC2)n1 ZINC001003310967 710239805 /nfs/dbraw/zinc/23/98/05/710239805.db2.gz UJMBERDKLMSGKQ-UHFFFAOYSA-N 2 2 338.415 1.462 20 0 EDADLP COc1ccnc(C[NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)c1 ZINC001003311747 710240550 /nfs/dbraw/zinc/24/05/50/710240550.db2.gz GDAKDPTZEZDSAL-UHFFFAOYSA-N 2 2 343.431 1.376 20 0 EDADLP O=C(NC1CC[NH+](Cc2ncccn2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001003375834 710294112 /nfs/dbraw/zinc/29/41/12/710294112.db2.gz YBPNEHVGFANHMX-GOSISDBHSA-N 2 2 343.475 1.432 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)nn1C ZINC001003544245 710412425 /nfs/dbraw/zinc/41/24/25/710412425.db2.gz LZGKNXYVWOIPSQ-UHFFFAOYSA-N 2 2 333.480 1.151 20 0 EDADLP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1)OC ZINC001003607545 710439499 /nfs/dbraw/zinc/43/94/99/710439499.db2.gz VWTPRYSENUAZBN-LSDHHAIUSA-N 2 2 334.464 1.835 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001003604866 710445540 /nfs/dbraw/zinc/44/55/40/710445540.db2.gz AGOWDRMVSZBOTR-GDBMZVCRSA-N 2 2 346.475 1.837 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001003633742 710461617 /nfs/dbraw/zinc/46/16/17/710461617.db2.gz HQPDMCCPKJNQBZ-XJKSGUPXSA-N 2 2 346.475 1.830 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001003633742 710461618 /nfs/dbraw/zinc/46/16/18/710461618.db2.gz HQPDMCCPKJNQBZ-XJKSGUPXSA-N 2 2 346.475 1.830 20 0 EDADLP Cn1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)cn1 ZINC001003654631 710473401 /nfs/dbraw/zinc/47/34/01/710473401.db2.gz UKEIAYRDBWQFFG-HZPDHXFCSA-N 2 2 342.447 1.038 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001034671300 710602888 /nfs/dbraw/zinc/60/28/88/710602888.db2.gz MCXKFNBTDMVPAQ-YDHLFZDLSA-N 2 2 341.415 1.082 20 0 EDADLP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001034675405 710627961 /nfs/dbraw/zinc/62/79/61/710627961.db2.gz SEAAWAIXUNKPGB-YYIAUSFCSA-N 2 2 346.475 1.499 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC001005590617 710646089 /nfs/dbraw/zinc/64/60/89/710646089.db2.gz BAJLMGQUICOXAW-BBRMVZONSA-N 2 2 349.479 1.846 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001005590617 710646093 /nfs/dbraw/zinc/64/60/93/710646093.db2.gz BAJLMGQUICOXAW-BBRMVZONSA-N 2 2 349.479 1.846 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001005607971 710692814 /nfs/dbraw/zinc/69/28/14/710692814.db2.gz VJVAXZIQLPTNHW-LSDHHAIUSA-N 2 2 334.464 1.403 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001005626660 710767888 /nfs/dbraw/zinc/76/78/88/710767888.db2.gz WOLRECWPSQDFNB-HUUCEWRRSA-N 2 2 334.464 1.403 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001032945923 710925748 /nfs/dbraw/zinc/92/57/48/710925748.db2.gz RDVLYFQJWWDHRE-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001032945923 710925753 /nfs/dbraw/zinc/92/57/53/710925753.db2.gz RDVLYFQJWWDHRE-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001032945923 710925759 /nfs/dbraw/zinc/92/57/59/710925759.db2.gz RDVLYFQJWWDHRE-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001032945923 710925763 /nfs/dbraw/zinc/92/57/63/710925763.db2.gz RDVLYFQJWWDHRE-JKSUJKDBSA-N 2 2 332.448 1.217 20 0 EDADLP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)CC2)on1 ZINC001034786148 711089665 /nfs/dbraw/zinc/08/96/65/711089665.db2.gz KBUDQVDAJQWNFA-JOCQHMNTSA-N 2 2 347.419 1.474 20 0 EDADLP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032977011 711091951 /nfs/dbraw/zinc/09/19/51/711091951.db2.gz QTQQJGHXGXXVEF-MSOLQXFVSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032977011 711091953 /nfs/dbraw/zinc/09/19/53/711091953.db2.gz QTQQJGHXGXXVEF-MSOLQXFVSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032977011 711091957 /nfs/dbraw/zinc/09/19/57/711091957.db2.gz QTQQJGHXGXXVEF-MSOLQXFVSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(F)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032977011 711091961 /nfs/dbraw/zinc/09/19/61/711091961.db2.gz QTQQJGHXGXXVEF-MSOLQXFVSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c(C)n1 ZINC001032977102 711092112 /nfs/dbraw/zinc/09/21/12/711092112.db2.gz RYMZICVECXKORO-MSOLQXFVSA-N 2 2 346.475 1.062 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)c(C)n1 ZINC001032977102 711092117 /nfs/dbraw/zinc/09/21/17/711092117.db2.gz RYMZICVECXKORO-MSOLQXFVSA-N 2 2 346.475 1.062 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(C)n1 ZINC001032977102 711092121 /nfs/dbraw/zinc/09/21/21/711092121.db2.gz RYMZICVECXKORO-MSOLQXFVSA-N 2 2 346.475 1.062 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(C)n1 ZINC001032977102 711092125 /nfs/dbraw/zinc/09/21/25/711092125.db2.gz RYMZICVECXKORO-MSOLQXFVSA-N 2 2 346.475 1.062 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)sn1 ZINC001034802324 711139679 /nfs/dbraw/zinc/13/96/79/711139679.db2.gz XOUJSKZJKXXDNR-HDJSIYSDSA-N 2 2 333.461 1.865 20 0 EDADLP Cn1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)nn1 ZINC001003968653 711140717 /nfs/dbraw/zinc/14/07/17/711140717.db2.gz SLTAANPLAIBIPT-WMLDXEAASA-N 2 2 348.495 1.016 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001034811563 711175701 /nfs/dbraw/zinc/17/57/01/711175701.db2.gz VRMQMCHIVUSJJC-QGZVFWFLSA-N 2 2 328.416 1.675 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC001034811563 711175704 /nfs/dbraw/zinc/17/57/04/711175704.db2.gz VRMQMCHIVUSJJC-QGZVFWFLSA-N 2 2 328.416 1.675 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001004056312 711357530 /nfs/dbraw/zinc/35/75/30/711357530.db2.gz PPVHIHJKKHXRKZ-HNNXBMFYSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1csc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)n1 ZINC001034922055 711382502 /nfs/dbraw/zinc/38/25/02/711382502.db2.gz BCNFPLKLFYVFLW-CYBMUJFWSA-N 2 2 333.461 1.888 20 0 EDADLP CCc1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001034942352 711395213 /nfs/dbraw/zinc/39/52/13/711395213.db2.gz VLAWUARFLHWUDK-CABCVRRESA-N 2 2 347.463 1.054 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001034956097 711425434 /nfs/dbraw/zinc/42/54/34/711425434.db2.gz NGFYGUVZGGZSRW-QGZVFWFLSA-N 2 2 327.432 1.827 20 0 EDADLP Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001034956097 711425435 /nfs/dbraw/zinc/42/54/35/711425435.db2.gz NGFYGUVZGGZSRW-QGZVFWFLSA-N 2 2 327.432 1.827 20 0 EDADLP Cn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001034958641 711432192 /nfs/dbraw/zinc/43/21/92/711432192.db2.gz LJFCOYROXAJNKV-HUUCEWRRSA-N 2 2 342.447 1.275 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C2CC2)no1)[NH+](C)C ZINC001034971639 711451650 /nfs/dbraw/zinc/45/16/50/711451650.db2.gz SFRVWBHHXAGDAG-ZIAGYGMSSA-N 2 2 335.452 1.368 20 0 EDADLP CC(C)c1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004149443 711563295 /nfs/dbraw/zinc/56/32/95/711563295.db2.gz HCEREDMAACXJMU-UONOGXRCSA-N 2 2 349.479 1.786 20 0 EDADLP CC(C)c1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004149443 711563297 /nfs/dbraw/zinc/56/32/97/711563297.db2.gz HCEREDMAACXJMU-UONOGXRCSA-N 2 2 349.479 1.786 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004470182 711846668 /nfs/dbraw/zinc/84/66/68/711846668.db2.gz ROVVGLIBUGNFDK-QGZVFWFLSA-N 2 2 347.459 1.328 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004470182 711846670 /nfs/dbraw/zinc/84/66/70/711846670.db2.gz ROVVGLIBUGNFDK-QGZVFWFLSA-N 2 2 347.459 1.328 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033126108 711867730 /nfs/dbraw/zinc/86/77/30/711867730.db2.gz JZZPIKAIJNEEAL-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033126108 711867734 /nfs/dbraw/zinc/86/77/34/711867734.db2.gz JZZPIKAIJNEEAL-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033126108 711867735 /nfs/dbraw/zinc/86/77/35/711867735.db2.gz JZZPIKAIJNEEAL-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033126108 711867737 /nfs/dbraw/zinc/86/77/37/711867737.db2.gz JZZPIKAIJNEEAL-ROUUACIJSA-N 2 2 345.491 1.692 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033125459 711875944 /nfs/dbraw/zinc/87/59/44/711875944.db2.gz FNTYNYVQDGFDMK-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001033125459 711875945 /nfs/dbraw/zinc/87/59/45/711875945.db2.gz FNTYNYVQDGFDMK-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001033125459 711875946 /nfs/dbraw/zinc/87/59/46/711875946.db2.gz FNTYNYVQDGFDMK-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001033125459 711875947 /nfs/dbraw/zinc/87/59/47/711875947.db2.gz FNTYNYVQDGFDMK-NVXWUHKLSA-N 2 2 334.464 1.890 20 0 EDADLP C[C@@H](CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1)n1cc[nH+]c1 ZINC001004571100 711994314 /nfs/dbraw/zinc/99/43/14/711994314.db2.gz WWRNCNGPZJJJAD-GOEBONIOSA-N 2 2 347.463 1.023 20 0 EDADLP C[C@@H](CC(=O)N1CCC([C@H]2CCC[N@H+]2CC(N)=O)CC1)n1cc[nH+]c1 ZINC001004571100 711994316 /nfs/dbraw/zinc/99/43/16/711994316.db2.gz WWRNCNGPZJJJAD-GOEBONIOSA-N 2 2 347.463 1.023 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004576032 712003040 /nfs/dbraw/zinc/00/30/40/712003040.db2.gz CMKMCKPWEXBORF-YOEHRIQHSA-N 2 2 334.464 1.284 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004576032 712003041 /nfs/dbraw/zinc/00/30/41/712003041.db2.gz CMKMCKPWEXBORF-YOEHRIQHSA-N 2 2 334.464 1.284 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004576032 712003042 /nfs/dbraw/zinc/00/30/42/712003042.db2.gz CMKMCKPWEXBORF-YOEHRIQHSA-N 2 2 334.464 1.284 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004576032 712003043 /nfs/dbraw/zinc/00/30/43/712003043.db2.gz CMKMCKPWEXBORF-YOEHRIQHSA-N 2 2 334.464 1.284 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033152605 712157470 /nfs/dbraw/zinc/15/74/70/712157470.db2.gz PYOZKSRAKDWALD-CVEARBPZSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033152605 712157471 /nfs/dbraw/zinc/15/74/71/712157471.db2.gz PYOZKSRAKDWALD-CVEARBPZSA-N 2 2 343.431 1.790 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033163804 712273640 /nfs/dbraw/zinc/27/36/40/712273640.db2.gz SWQCDBKAGCROGC-BRWVUGGUSA-N 2 2 346.475 1.863 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033163804 712273644 /nfs/dbraw/zinc/27/36/44/712273644.db2.gz SWQCDBKAGCROGC-BRWVUGGUSA-N 2 2 346.475 1.863 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033163804 712273647 /nfs/dbraw/zinc/27/36/47/712273647.db2.gz SWQCDBKAGCROGC-BRWVUGGUSA-N 2 2 346.475 1.863 20 0 EDADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033163804 712273649 /nfs/dbraw/zinc/27/36/49/712273649.db2.gz SWQCDBKAGCROGC-BRWVUGGUSA-N 2 2 346.475 1.863 20 0 EDADLP CCNc1nc(N(C)C[C@H]2CCC[N@H+](C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000557600074 306230598 /nfs/dbraw/zinc/23/05/98/306230598.db2.gz TWDLBJGDIPMBGH-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(N(C)C[C@H]2CCC[N@@H+](C)C2)nc(NC(C)(C)C)[nH+]1 ZINC000557600074 306230599 /nfs/dbraw/zinc/23/05/99/306230599.db2.gz TWDLBJGDIPMBGH-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N(C)C[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000557600074 306230600 /nfs/dbraw/zinc/23/06/00/306230600.db2.gz TWDLBJGDIPMBGH-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N(C)C[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000557600074 306230601 /nfs/dbraw/zinc/23/06/01/306230601.db2.gz TWDLBJGDIPMBGH-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000557600074 306230602 /nfs/dbraw/zinc/23/06/02/306230602.db2.gz TWDLBJGDIPMBGH-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N(C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000557600074 306230603 /nfs/dbraw/zinc/23/06/03/306230603.db2.gz TWDLBJGDIPMBGH-ZDUSSCGKSA-N 2 2 335.500 1.714 20 0 EDADLP COc1ccc(OCCC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000051762754 214103571 /nfs/dbraw/zinc/10/35/71/214103571.db2.gz PPAIBEOPUINMGZ-UHFFFAOYSA-N 2 2 335.448 1.170 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000131716303 529385284 /nfs/dbraw/zinc/38/52/84/529385284.db2.gz FJJQMLKMMLOZHJ-MSOLQXFVSA-N 2 2 333.476 1.595 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000131716303 529385289 /nfs/dbraw/zinc/38/52/89/529385289.db2.gz FJJQMLKMMLOZHJ-MSOLQXFVSA-N 2 2 333.476 1.595 20 0 EDADLP Cc1cc(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000174476990 231218613 /nfs/dbraw/zinc/21/86/13/231218613.db2.gz YGVMNCKGMYQMSQ-UHFFFAOYSA-N 2 2 345.491 1.899 20 0 EDADLP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000171718379 299094952 /nfs/dbraw/zinc/09/49/52/299094952.db2.gz VZRPJNBPUDSSFI-YESZJQIVSA-N 2 2 338.496 1.365 20 0 EDADLP CCC(CC)[C@H](C(=O)NCc1cn2c([nH+]1)CCCC2)[NH+]1CCOCC1 ZINC000359172176 282255791 /nfs/dbraw/zinc/25/57/91/282255791.db2.gz XGVFIEHFLPMDRB-GOSISDBHSA-N 2 2 348.491 1.973 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[N@@H+]2CCCOCC2)CCOc2ccccc21 ZINC000376068740 282273520 /nfs/dbraw/zinc/27/35/20/282273520.db2.gz LDYKTFYMRBDHGB-LJQANCHMSA-N 2 2 347.459 1.065 20 0 EDADLP C[NH+](C)[C@]1(C(=O)NCC[N@H+]2CCCOCC2)CCOc2ccccc21 ZINC000376068740 282273523 /nfs/dbraw/zinc/27/35/23/282273523.db2.gz LDYKTFYMRBDHGB-LJQANCHMSA-N 2 2 347.459 1.065 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C)C[C@H]2n2cncn2)C1 ZINC000559732321 306258165 /nfs/dbraw/zinc/25/81/65/306258165.db2.gz MGSZBWGPDMORRN-BSDSXHPESA-N 2 2 335.496 1.954 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CC[C@H](C)C[C@H]2n2cncn2)C1 ZINC000559732321 306258166 /nfs/dbraw/zinc/25/81/66/306258166.db2.gz MGSZBWGPDMORRN-BSDSXHPESA-N 2 2 335.496 1.954 20 0 EDADLP COc1cc([C@@H](C)[NH2+]CCCCN2CC[NH+](CCO)CC2)ccn1 ZINC000559894908 306259617 /nfs/dbraw/zinc/25/96/17/306259617.db2.gz NTSFZRQCMHENFP-MRXNPFEDSA-N 2 2 336.480 1.131 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@@H]21 ZINC000178190953 530064233 /nfs/dbraw/zinc/06/42/33/530064233.db2.gz SZIDYBAPEJJUTB-HOTGVXAUSA-N 2 2 327.432 1.960 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@@H]21 ZINC000178190953 530064234 /nfs/dbraw/zinc/06/42/34/530064234.db2.gz SZIDYBAPEJJUTB-HOTGVXAUSA-N 2 2 327.432 1.960 20 0 EDADLP C[C@@H](CNC(=O)C(=O)NCCCCn1cc[nH+]c1)C[NH+]1CCCCC1 ZINC000560308046 306263601 /nfs/dbraw/zinc/26/36/01/306263601.db2.gz YGDMKVJRQCAEFK-INIZCTEOSA-N 2 2 349.479 1.018 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ncc[nH]3)c2)C1 ZINC000066594171 215057227 /nfs/dbraw/zinc/05/72/27/215057227.db2.gz ZZSXAEVJPICTKC-MRXNPFEDSA-N 2 2 327.432 1.397 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ncc[nH]3)c2)C1 ZINC000066594171 215057229 /nfs/dbraw/zinc/05/72/29/215057229.db2.gz ZZSXAEVJPICTKC-MRXNPFEDSA-N 2 2 327.432 1.397 20 0 EDADLP C[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000179103528 232748636 /nfs/dbraw/zinc/74/86/36/232748636.db2.gz WDROOCXPBRFHFN-RHSMWYFYSA-N 2 2 334.439 1.157 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000561146596 306282718 /nfs/dbraw/zinc/28/27/18/306282718.db2.gz IWHSGBRDTPWYTE-CZUORRHYSA-N 2 2 345.422 1.947 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000561212059 306284875 /nfs/dbraw/zinc/28/48/75/306284875.db2.gz BGWGLGRVZCAWBV-QGZVFWFLSA-N 2 2 345.491 2.000 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)C[C@H](C)O1 ZINC000341880390 539754492 /nfs/dbraw/zinc/75/44/92/539754492.db2.gz VBOTYYWIANZNRS-QQXMDYFESA-N 2 2 348.487 1.824 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)C[C@H](C)O1 ZINC000341880390 539754495 /nfs/dbraw/zinc/75/44/95/539754495.db2.gz VBOTYYWIANZNRS-QQXMDYFESA-N 2 2 348.487 1.824 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000104139547 219351289 /nfs/dbraw/zinc/35/12/89/219351289.db2.gz LEAGTFPLRMVPJE-MRXNPFEDSA-N 2 2 331.464 1.646 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562370537 306296574 /nfs/dbraw/zinc/29/65/74/306296574.db2.gz ZRROJSXCJAETAE-AWEZNQCLSA-N 2 2 343.431 1.245 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562650584 306304769 /nfs/dbraw/zinc/30/47/69/306304769.db2.gz RBBYPQZLTMTBPB-XHSDSOJGSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562650584 306304770 /nfs/dbraw/zinc/30/47/70/306304770.db2.gz RBBYPQZLTMTBPB-XHSDSOJGSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562650584 306304771 /nfs/dbraw/zinc/30/47/71/306304771.db2.gz RBBYPQZLTMTBPB-XHSDSOJGSA-N 2 2 340.512 1.610 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562650584 306304772 /nfs/dbraw/zinc/30/47/72/306304772.db2.gz RBBYPQZLTMTBPB-XHSDSOJGSA-N 2 2 340.512 1.610 20 0 EDADLP C[NH+](C/C=C\C[N@@H+](C)C[C@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000255577809 539877355 /nfs/dbraw/zinc/87/73/55/539877355.db2.gz ROSQTWOZJPUCLF-CMIOBCHKSA-N 2 2 338.292 1.253 20 0 EDADLP C[NH+](C/C=C\C[N@H+](C)C[C@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000255577809 539877360 /nfs/dbraw/zinc/87/73/60/539877360.db2.gz ROSQTWOZJPUCLF-CMIOBCHKSA-N 2 2 338.292 1.253 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nnnn3CC2)C[N@H+](Cc2ccccc2)C1 ZINC000562940011 306312970 /nfs/dbraw/zinc/31/29/70/306312970.db2.gz KONSOCMMYHMGIC-KBAYOESNSA-N 2 2 340.475 1.878 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nnnn3CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000562940011 306312971 /nfs/dbraw/zinc/31/29/71/306312971.db2.gz KONSOCMMYHMGIC-KBAYOESNSA-N 2 2 340.475 1.878 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCc4nnnn4CC3)C2)cc1 ZINC000562940034 306313006 /nfs/dbraw/zinc/31/30/06/306313006.db2.gz NLIHIAUCIQLGHN-IAGOWNOFSA-N 2 2 326.448 1.285 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@@H]([NH2+][C@@H]3CCc4nnnn4CC3)C2)cc1 ZINC000562940034 306313007 /nfs/dbraw/zinc/31/30/07/306313007.db2.gz NLIHIAUCIQLGHN-IAGOWNOFSA-N 2 2 326.448 1.285 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(CF)CCC3)CC2)CC1 ZINC000563039732 306316584 /nfs/dbraw/zinc/31/65/84/306316584.db2.gz ZYAWKZZIAIORHR-UHFFFAOYSA-N 2 2 326.460 1.736 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](c3cccnc3)C2)CC1 ZINC000563045629 306316821 /nfs/dbraw/zinc/31/68/21/306316821.db2.gz QQMXMDZXWBJWHV-QGZVFWFLSA-N 2 2 345.491 1.607 20 0 EDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCc3c[nH+]cn3C2)o1 ZINC000563203506 306323348 /nfs/dbraw/zinc/32/33/48/306323348.db2.gz CBXGPXZORGARIV-HNNXBMFYSA-N 2 2 330.432 1.937 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000276546304 540061568 /nfs/dbraw/zinc/06/15/68/540061568.db2.gz GYCXJDAMUYYQOX-QGZVFWFLSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000276546304 540061571 /nfs/dbraw/zinc/06/15/71/540061571.db2.gz GYCXJDAMUYYQOX-QGZVFWFLSA-N 2 2 328.416 1.225 20 0 EDADLP Cn1c[nH+]cc1C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000290477660 540089565 /nfs/dbraw/zinc/08/95/65/540089565.db2.gz BBPFDPYEDKHZNC-ZDUSSCGKSA-N 2 2 326.322 1.625 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000183633968 235174194 /nfs/dbraw/zinc/17/41/94/235174194.db2.gz GOBFALZWOLCNIS-UHFFFAOYSA-N 2 2 333.480 1.151 20 0 EDADLP COC(=O)C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000093707471 291082433 /nfs/dbraw/zinc/08/24/33/291082433.db2.gz WICXCCFBOUCWJW-UHFFFAOYSA-N 2 2 347.463 1.146 20 0 EDADLP COC(=O)C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000093707471 291082435 /nfs/dbraw/zinc/08/24/35/291082435.db2.gz WICXCCFBOUCWJW-UHFFFAOYSA-N 2 2 347.463 1.146 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000563410727 306332169 /nfs/dbraw/zinc/33/21/69/306332169.db2.gz LDNHKUMZQRLBPA-FGEZKYSXSA-N 2 2 329.366 1.963 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000563410727 306332170 /nfs/dbraw/zinc/33/21/70/306332170.db2.gz LDNHKUMZQRLBPA-FGEZKYSXSA-N 2 2 329.366 1.963 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)cc1OC ZINC000563439221 306333264 /nfs/dbraw/zinc/33/32/64/306333264.db2.gz FXMQHVOFDGBYJZ-UHFFFAOYSA-N 2 2 346.431 1.542 20 0 EDADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000413055624 304053554 /nfs/dbraw/zinc/05/35/54/304053554.db2.gz UFMGLBYZXXXWMJ-MRXNPFEDSA-N 2 2 327.432 1.799 20 0 EDADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000413055624 304053557 /nfs/dbraw/zinc/05/35/57/304053557.db2.gz UFMGLBYZXXXWMJ-MRXNPFEDSA-N 2 2 327.432 1.799 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCC[N@@H+]1CCc2sccc2C1 ZINC000054539942 138144112 /nfs/dbraw/zinc/14/41/12/138144112.db2.gz AZEMWYBNAAMEIN-UHFFFAOYSA-N 2 2 333.461 1.692 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCC[N@H+]1CCc2sccc2C1 ZINC000054539942 138144115 /nfs/dbraw/zinc/14/41/15/138144115.db2.gz AZEMWYBNAAMEIN-UHFFFAOYSA-N 2 2 333.461 1.692 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccccc3O)CC2)CC1 ZINC000050799062 138133204 /nfs/dbraw/zinc/13/32/04/138133204.db2.gz ZEEVYQDCMGIMOE-UHFFFAOYSA-N 2 2 345.487 2.000 20 0 EDADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000079454373 138261563 /nfs/dbraw/zinc/26/15/63/138261563.db2.gz VPQFUHGXWOFJDT-HNNXBMFYSA-N 2 2 343.475 1.834 20 0 EDADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000079454373 138261564 /nfs/dbraw/zinc/26/15/64/138261564.db2.gz VPQFUHGXWOFJDT-HNNXBMFYSA-N 2 2 343.475 1.834 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)NCCn3cc[nH+]c3)CC2)[nH+]c1 ZINC000080541979 138264447 /nfs/dbraw/zinc/26/44/47/138264447.db2.gz BPZCAPNQQPUNLT-UHFFFAOYSA-N 2 2 328.420 1.555 20 0 EDADLP Cc1nc(C)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000081466003 138266743 /nfs/dbraw/zinc/26/67/43/138266743.db2.gz XNTABRZKGQSJPP-UHFFFAOYSA-N 2 2 334.464 1.972 20 0 EDADLP CCN1CC[NH+](Cc2cccc(CN3CC[NH+](CC)CC3)c2)CC1 ZINC000096969159 138296322 /nfs/dbraw/zinc/29/63/22/138296322.db2.gz GKTTZFZXBLEVGW-UHFFFAOYSA-N 2 2 330.520 1.962 20 0 EDADLP CC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000104685877 138300090 /nfs/dbraw/zinc/30/00/90/138300090.db2.gz INOOIHSBMALRIJ-INIZCTEOSA-N 2 2 345.487 1.996 20 0 EDADLP CC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000104685877 138300091 /nfs/dbraw/zinc/30/00/91/138300091.db2.gz INOOIHSBMALRIJ-INIZCTEOSA-N 2 2 345.487 1.996 20 0 EDADLP CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000093200115 138292686 /nfs/dbraw/zinc/29/26/86/138292686.db2.gz BSLCOFSYNROPJR-CQSZACIVSA-N 2 2 336.505 1.789 20 0 EDADLP CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000093200115 138292687 /nfs/dbraw/zinc/29/26/87/138292687.db2.gz BSLCOFSYNROPJR-CQSZACIVSA-N 2 2 336.505 1.789 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(C)cc3C)C2)CC1 ZINC000107372032 138304085 /nfs/dbraw/zinc/30/40/85/138304085.db2.gz WCBCCQMOVOWZTI-SFHVURJKSA-N 2 2 344.503 1.954 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(C)cc3C)C2)CC1 ZINC000107372032 138304086 /nfs/dbraw/zinc/30/40/86/138304086.db2.gz WCBCCQMOVOWZTI-SFHVURJKSA-N 2 2 344.503 1.954 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(F)cc2Cl)[C@H](C[NH3+])C1 ZINC000563590904 306340463 /nfs/dbraw/zinc/34/04/63/306340463.db2.gz WPHYARYUGLVIGC-CYBMUJFWSA-N 2 2 328.819 1.306 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2ccc(F)cc2Cl)[C@H](C[NH3+])C1 ZINC000563590904 306340464 /nfs/dbraw/zinc/34/04/64/306340464.db2.gz WPHYARYUGLVIGC-CYBMUJFWSA-N 2 2 328.819 1.306 20 0 EDADLP COc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000121112908 138317175 /nfs/dbraw/zinc/31/71/75/138317175.db2.gz RUYSSXNDYNQKEX-DOTOQJQBSA-N 2 2 331.460 1.647 20 0 EDADLP COc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000121112908 138317176 /nfs/dbraw/zinc/31/71/76/138317176.db2.gz RUYSSXNDYNQKEX-DOTOQJQBSA-N 2 2 331.460 1.647 20 0 EDADLP C[C@@H]1C[C@@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)O1 ZINC000413399989 304060306 /nfs/dbraw/zinc/06/03/06/304060306.db2.gz JUQNJIKMCXFMDJ-KFWWJZLASA-N 2 2 326.485 1.125 20 0 EDADLP CCS(=O)(=O)N(C)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000125151949 138332475 /nfs/dbraw/zinc/33/24/75/138332475.db2.gz HEMTXTOOTZMWGI-UHFFFAOYSA-N 2 2 331.526 1.608 20 0 EDADLP Cc1cc(=O)[nH]cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000132165009 138372295 /nfs/dbraw/zinc/37/22/95/138372295.db2.gz RRTVGWDPVSQRMP-UHFFFAOYSA-N 2 2 346.475 1.363 20 0 EDADLP CC(C)[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000563875024 306350930 /nfs/dbraw/zinc/35/09/30/306350930.db2.gz GOYMOVYRRMBRCE-CZUORRHYSA-N 2 2 340.418 1.946 20 0 EDADLP CC(C)[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1F ZINC000563875024 306350931 /nfs/dbraw/zinc/35/09/31/306350931.db2.gz GOYMOVYRRMBRCE-CZUORRHYSA-N 2 2 340.418 1.946 20 0 EDADLP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000187742017 236288523 /nfs/dbraw/zinc/28/85/23/236288523.db2.gz YLXMWUHXRZDYFB-OAHLLOKOSA-N 2 2 326.448 1.783 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000413842707 304080210 /nfs/dbraw/zinc/08/02/10/304080210.db2.gz PTYXEMPBIBMOBC-XNHLSEOASA-N 3 2 349.523 1.033 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000413842707 304080211 /nfs/dbraw/zinc/08/02/11/304080211.db2.gz PTYXEMPBIBMOBC-XNHLSEOASA-N 3 2 349.523 1.033 20 0 EDADLP CC[NH+]1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000413842707 304080212 /nfs/dbraw/zinc/08/02/12/304080212.db2.gz PTYXEMPBIBMOBC-XNHLSEOASA-N 3 2 349.523 1.033 20 0 EDADLP CC[NH+]1CC[C@H](NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000413842707 304080213 /nfs/dbraw/zinc/08/02/13/304080213.db2.gz PTYXEMPBIBMOBC-XNHLSEOASA-N 3 2 349.523 1.033 20 0 EDADLP CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649588042 452156489 /nfs/dbraw/zinc/15/64/89/452156489.db2.gz ZHYPMBSSEAQDST-BZUAXINKSA-N 2 2 331.526 1.509 20 0 EDADLP CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649588042 452156498 /nfs/dbraw/zinc/15/64/98/452156498.db2.gz ZHYPMBSSEAQDST-BZUAXINKSA-N 2 2 331.526 1.509 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cccc(Cl)c2)C[C@H](C)O1 ZINC000564845587 306366892 /nfs/dbraw/zinc/36/68/92/306366892.db2.gz ZEPNGHQVICTMIV-VBQJREDUSA-N 2 2 326.868 1.942 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cccc(Cl)c2)C[C@H](C)O1 ZINC000564845587 306366893 /nfs/dbraw/zinc/36/68/93/306366893.db2.gz ZEPNGHQVICTMIV-VBQJREDUSA-N 2 2 326.868 1.942 20 0 EDADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000564921924 306369535 /nfs/dbraw/zinc/36/95/35/306369535.db2.gz ASQZUGYOGYYPKL-CQSZACIVSA-N 2 2 343.431 1.487 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000129427091 223055380 /nfs/dbraw/zinc/05/53/80/223055380.db2.gz IGJBOYBQGHLQOT-MRXNPFEDSA-N 2 2 331.464 1.775 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000417658940 283540533 /nfs/dbraw/zinc/54/05/33/283540533.db2.gz KLRFHUZFAJDPGF-RISCZKNCSA-N 2 2 328.407 1.722 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130607888 223165049 /nfs/dbraw/zinc/16/50/49/223165049.db2.gz DMEVJDHLSNFJRS-KRWDZBQOSA-N 2 2 328.416 1.290 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130607888 223165051 /nfs/dbraw/zinc/16/50/51/223165051.db2.gz DMEVJDHLSNFJRS-KRWDZBQOSA-N 2 2 328.416 1.290 20 0 EDADLP C[N@@H+]1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)[C@@H](C[NH3+])C1 ZINC000566071116 306397914 /nfs/dbraw/zinc/39/79/14/306397914.db2.gz MRAJOWQIEWKERR-HNNXBMFYSA-N 2 2 348.447 1.593 20 0 EDADLP C[N@H+]1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)[C@@H](C[NH3+])C1 ZINC000566071116 306397915 /nfs/dbraw/zinc/39/79/15/306397915.db2.gz MRAJOWQIEWKERR-HNNXBMFYSA-N 2 2 348.447 1.593 20 0 EDADLP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000458307077 296074677 /nfs/dbraw/zinc/07/46/77/296074677.db2.gz GQUXEUCSQZIGLL-CABCVRRESA-N 2 2 328.501 1.515 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CC[C@@H](CO)O3)c2cc1C ZINC000566235575 306405306 /nfs/dbraw/zinc/40/53/06/306405306.db2.gz ZCVXWTFSHAORLW-OAGGEKHMSA-N 2 2 333.432 1.144 20 0 EDADLP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1OC ZINC000414772388 304139486 /nfs/dbraw/zinc/13/94/86/304139486.db2.gz UENWNQWBZWZHLC-GOEBONIOSA-N 2 2 349.475 1.769 20 0 EDADLP CCNC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1OC ZINC000414772388 304139487 /nfs/dbraw/zinc/13/94/87/304139487.db2.gz UENWNQWBZWZHLC-GOEBONIOSA-N 2 2 349.475 1.769 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1C ZINC000414829583 304145494 /nfs/dbraw/zinc/14/54/94/304145494.db2.gz LCEOTMIACCURRY-KRWDZBQOSA-N 2 2 330.432 1.853 20 0 EDADLP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000566675954 306424555 /nfs/dbraw/zinc/42/45/55/306424555.db2.gz KBHYNDGDEWTFKI-ZNMIVQPWSA-N 2 2 334.464 1.700 20 0 EDADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000415100202 304160112 /nfs/dbraw/zinc/16/01/12/304160112.db2.gz HROPLROJUWTWGI-HNNXBMFYSA-N 2 2 325.478 1.690 20 0 EDADLP C[C@H]1C[C@H](C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415135053 304163165 /nfs/dbraw/zinc/16/31/65/304163165.db2.gz PLEAVIODJXNAMA-PKOBYXMFSA-N 4 2 330.520 1.958 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000110060448 220012523 /nfs/dbraw/zinc/01/25/23/220012523.db2.gz HJOFAQDHRVYGEQ-CVEARBPZSA-N 2 2 330.432 1.169 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000110060448 220012525 /nfs/dbraw/zinc/01/25/25/220012525.db2.gz HJOFAQDHRVYGEQ-CVEARBPZSA-N 2 2 330.432 1.169 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000110060448 220012527 /nfs/dbraw/zinc/01/25/27/220012527.db2.gz HJOFAQDHRVYGEQ-CVEARBPZSA-N 2 2 330.432 1.169 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000110060448 220012530 /nfs/dbraw/zinc/01/25/30/220012530.db2.gz HJOFAQDHRVYGEQ-CVEARBPZSA-N 2 2 330.432 1.169 20 0 EDADLP C[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000195527026 139020281 /nfs/dbraw/zinc/02/02/81/139020281.db2.gz ZVNVEMRGRLTCEL-JYJNAYRXSA-N 2 2 346.475 1.796 20 0 EDADLP CCC[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000236890690 139034213 /nfs/dbraw/zinc/03/42/13/139034213.db2.gz KKXZAINRFKASCT-KRWDZBQOSA-N 2 2 335.448 1.141 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000236980345 139037042 /nfs/dbraw/zinc/03/70/42/139037042.db2.gz ASOKQBLQGZKUKK-IRXDYDNUSA-N 2 2 331.460 1.857 20 0 EDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000236955555 139036463 /nfs/dbraw/zinc/03/64/63/139036463.db2.gz OFSOZJMGJJMKOY-QGZVFWFLSA-N 2 2 348.516 1.103 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000236955555 139036464 /nfs/dbraw/zinc/03/64/64/139036464.db2.gz OFSOZJMGJJMKOY-QGZVFWFLSA-N 2 2 348.516 1.103 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCC3CC[NH2+]CC3)CC2)CC1 ZINC000237163971 139042648 /nfs/dbraw/zinc/04/26/48/139042648.db2.gz HRZAIQVKNHYARB-UHFFFAOYSA-N 3 2 336.524 1.441 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000237233476 139045172 /nfs/dbraw/zinc/04/51/72/139045172.db2.gz CZBYPDBPOMSVOZ-KRWDZBQOSA-N 2 2 349.475 1.721 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)cc1F ZINC000237300111 139047056 /nfs/dbraw/zinc/04/70/56/139047056.db2.gz RJDPZVPVAHSSSB-INIZCTEOSA-N 2 2 335.423 1.621 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000237364264 139049182 /nfs/dbraw/zinc/04/91/82/139049182.db2.gz CXIUODSQAKOJSW-AWEZNQCLSA-N 2 2 348.491 1.961 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496821282 284349006 /nfs/dbraw/zinc/34/90/06/284349006.db2.gz PSKRLTYMMZYJRD-SJORKVTESA-N 2 2 341.496 1.822 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496821282 284349007 /nfs/dbraw/zinc/34/90/07/284349007.db2.gz PSKRLTYMMZYJRD-SJORKVTESA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496821282 284349009 /nfs/dbraw/zinc/34/90/09/284349009.db2.gz PSKRLTYMMZYJRD-SJORKVTESA-N 2 2 341.496 1.822 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000496821282 284349010 /nfs/dbraw/zinc/34/90/10/284349010.db2.gz PSKRLTYMMZYJRD-SJORKVTESA-N 2 2 341.496 1.822 20 0 EDADLP C[C@H](CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[C@H]1CCC[NH2+]C1 ZINC000237590648 139054907 /nfs/dbraw/zinc/05/49/07/139054907.db2.gz IAGFHEBVWPDBQE-OLZOCXBDSA-N 2 2 337.468 1.508 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2OC)[C@H](C)C1 ZINC000081096540 217361227 /nfs/dbraw/zinc/36/12/27/217361227.db2.gz NLNVILXLUAXDKC-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2OC)[C@H](C)C1 ZINC000081096540 217361230 /nfs/dbraw/zinc/36/12/30/217361230.db2.gz NLNVILXLUAXDKC-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2OC)[C@H](C)C1 ZINC000081096540 217361231 /nfs/dbraw/zinc/36/12/31/217361231.db2.gz NLNVILXLUAXDKC-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2OC)[C@H](C)C1 ZINC000081096540 217361235 /nfs/dbraw/zinc/36/12/35/217361235.db2.gz NLNVILXLUAXDKC-WBVHZDCISA-N 2 2 333.476 1.974 20 0 EDADLP O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000237938432 139064415 /nfs/dbraw/zinc/06/44/15/139064415.db2.gz OWVOUQUVIJADPM-OAHLLOKOSA-N 2 2 344.415 1.669 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(OC)c2)[C@@H](C)C1 ZINC000245423896 139073853 /nfs/dbraw/zinc/07/38/53/139073853.db2.gz JSZRGOALAQROGH-YJBOKZPZSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(OC)c2)[C@@H](C)C1 ZINC000245423896 139073854 /nfs/dbraw/zinc/07/38/54/139073854.db2.gz JSZRGOALAQROGH-YJBOKZPZSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(OC)c2)[C@@H](C)C1 ZINC000245423896 139073855 /nfs/dbraw/zinc/07/38/55/139073855.db2.gz JSZRGOALAQROGH-YJBOKZPZSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(OC)c2)[C@@H](C)C1 ZINC000245423896 139073856 /nfs/dbraw/zinc/07/38/56/139073856.db2.gz JSZRGOALAQROGH-YJBOKZPZSA-N 2 2 333.476 1.974 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000245570763 139079886 /nfs/dbraw/zinc/07/98/86/139079886.db2.gz YYBVIJFCAGVEBL-HZPDHXFCSA-N 2 2 327.432 1.316 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000415297285 304188318 /nfs/dbraw/zinc/18/83/18/304188318.db2.gz DSGVIYGLDRACIE-AWEZNQCLSA-N 2 2 335.452 1.866 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000246389434 139106634 /nfs/dbraw/zinc/10/66/34/139106634.db2.gz ARQZBZPBJUCHNH-PKOBYXMFSA-N 2 2 332.492 1.604 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000246389434 139106635 /nfs/dbraw/zinc/10/66/35/139106635.db2.gz ARQZBZPBJUCHNH-PKOBYXMFSA-N 2 2 332.492 1.604 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2c[nH+]ccc2OC)CC1=O ZINC000246400406 139107090 /nfs/dbraw/zinc/10/70/90/139107090.db2.gz JSVAAECMSPEHJY-KBPBESRZSA-N 2 2 346.431 1.362 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2c[nH+]ccc2OC)CC1=O ZINC000246400406 139107091 /nfs/dbraw/zinc/10/70/91/139107091.db2.gz JSVAAECMSPEHJY-KBPBESRZSA-N 2 2 346.431 1.362 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246418255 139107632 /nfs/dbraw/zinc/10/76/32/139107632.db2.gz SQXINKYLIJJXLU-PMPSAXMXSA-N 2 2 347.459 1.215 20 0 EDADLP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246418255 139107633 /nfs/dbraw/zinc/10/76/33/139107633.db2.gz SQXINKYLIJJXLU-PMPSAXMXSA-N 2 2 347.459 1.215 20 0 EDADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246572637 139113377 /nfs/dbraw/zinc/11/33/77/139113377.db2.gz YCVTWKBMKCDTAC-ULQDDVLXSA-N 2 2 325.497 1.724 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246869140 139125011 /nfs/dbraw/zinc/12/50/11/139125011.db2.gz GAHGEWAKNHYMKA-WBVHZDCISA-N 2 2 335.448 1.644 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000246869140 139125012 /nfs/dbraw/zinc/12/50/12/139125012.db2.gz GAHGEWAKNHYMKA-WBVHZDCISA-N 2 2 335.448 1.644 20 0 EDADLP COC[C@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000266013319 248029811 /nfs/dbraw/zinc/02/98/11/248029811.db2.gz SWAIWWOYIXABDC-JKSUJKDBSA-N 2 2 333.432 1.361 20 0 EDADLP COC[C@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000266013319 248029814 /nfs/dbraw/zinc/02/98/14/248029814.db2.gz SWAIWWOYIXABDC-JKSUJKDBSA-N 2 2 333.432 1.361 20 0 EDADLP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000568508721 306483030 /nfs/dbraw/zinc/48/30/30/306483030.db2.gz MBKBDXHUTWURGL-GOEBONIOSA-N 2 2 325.416 1.466 20 0 EDADLP C[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000249107392 139185821 /nfs/dbraw/zinc/18/58/21/139185821.db2.gz VOLKHWJHEAXOCB-BBWFWOEESA-N 2 2 333.476 1.719 20 0 EDADLP COCCOc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093412979 218223537 /nfs/dbraw/zinc/22/35/37/218223537.db2.gz WZDZLOWDUUAQCV-UHFFFAOYSA-N 2 2 336.476 1.990 20 0 EDADLP COCCOc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093412979 218223540 /nfs/dbraw/zinc/22/35/40/218223540.db2.gz WZDZLOWDUUAQCV-UHFFFAOYSA-N 2 2 336.476 1.990 20 0 EDADLP c1[nH]nc(-c2cccnc2)c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665166 218240359 /nfs/dbraw/zinc/24/03/59/218240359.db2.gz NQUXUSKWAWAWLC-OAHLLOKOSA-N 2 2 327.432 1.626 20 0 EDADLP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665166 218240362 /nfs/dbraw/zinc/24/03/62/218240362.db2.gz NQUXUSKWAWAWLC-OAHLLOKOSA-N 2 2 327.432 1.626 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000410810714 250378669 /nfs/dbraw/zinc/37/86/69/250378669.db2.gz POJDVFWLYGLDBD-CVEARBPZSA-N 2 2 349.479 1.093 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261605340 139210089 /nfs/dbraw/zinc/21/00/89/139210089.db2.gz RIIJRBMVEKQWFU-MSOLQXFVSA-N 2 2 345.487 1.782 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261605340 139210090 /nfs/dbraw/zinc/21/00/90/139210090.db2.gz RIIJRBMVEKQWFU-MSOLQXFVSA-N 2 2 345.487 1.782 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000261617554 139211576 /nfs/dbraw/zinc/21/15/76/139211576.db2.gz AHSTWKABMOEWNJ-GJZGRUSLSA-N 2 2 337.489 1.627 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261765204 139224191 /nfs/dbraw/zinc/22/41/91/139224191.db2.gz NXPCNAIZNDAVKD-DOTOQJQBSA-N 2 2 331.460 1.857 20 0 EDADLP CC(C)N(C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000261800493 139227217 /nfs/dbraw/zinc/22/72/17/139227217.db2.gz ZZENIIXBKKAVBS-SFHVURJKSA-N 2 2 330.476 1.408 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2cn(Cc3cccnc3)nn2)C[C@H]1c1ccccc1 ZINC000261846412 139231090 /nfs/dbraw/zinc/23/10/90/139231090.db2.gz PRXQFZCFHBJNDF-QUCCMNQESA-N 2 2 348.454 1.896 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cn(Cc3cccnc3)nn2)C[C@H]1c1ccccc1 ZINC000261846412 139231091 /nfs/dbraw/zinc/23/10/91/139231091.db2.gz PRXQFZCFHBJNDF-QUCCMNQESA-N 2 2 348.454 1.896 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000569202855 306499235 /nfs/dbraw/zinc/49/92/35/306499235.db2.gz TWTICAYAXLGXCO-HUUCEWRRSA-N 2 2 331.395 1.700 20 0 EDADLP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc(Cl)c1OCC(N)=O ZINC000414909700 250884855 /nfs/dbraw/zinc/88/48/55/250884855.db2.gz CEKGCMADAHIMNP-MFKMUULPSA-N 2 2 341.839 1.300 20 0 EDADLP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262079529 139249227 /nfs/dbraw/zinc/24/92/27/139249227.db2.gz SWBXVPXYIZIDDH-BEFAXECRSA-N 2 2 348.466 1.770 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000262130875 139253506 /nfs/dbraw/zinc/25/35/06/139253506.db2.gz NUFIWOZZTCQTJC-CYBMUJFWSA-N 2 2 325.815 1.875 20 0 EDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000262130875 139253507 /nfs/dbraw/zinc/25/35/07/139253507.db2.gz NUFIWOZZTCQTJC-CYBMUJFWSA-N 2 2 325.815 1.875 20 0 EDADLP C[C@@H]([NH3+])CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416832302 251111659 /nfs/dbraw/zinc/11/16/59/251111659.db2.gz WECLWDLNDLMEMY-CHWSQXEVSA-N 2 2 326.466 1.158 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416832805 251113038 /nfs/dbraw/zinc/11/30/38/251113038.db2.gz WRBFVKWUBKURNS-RWMBFGLXSA-N 2 2 326.466 1.156 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000416880432 251117733 /nfs/dbraw/zinc/11/77/33/251117733.db2.gz DZDFLLBMIBIQJH-SJLPKXTDSA-N 2 2 346.475 1.359 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417018252 251134825 /nfs/dbraw/zinc/13/48/25/251134825.db2.gz PSBGYJMFTQHSRY-LBPRGKRZSA-N 2 2 327.379 1.192 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262323303 139270129 /nfs/dbraw/zinc/27/01/29/139270129.db2.gz DBIMCFKBORZAQF-BBRMVZONSA-N 2 2 333.480 1.069 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)CC[NH2+]1 ZINC000416997066 251123054 /nfs/dbraw/zinc/12/30/54/251123054.db2.gz XKNDQOCBKCWKQS-KKUMJFAQSA-N 2 2 347.463 1.199 20 0 EDADLP C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000416997918 251125056 /nfs/dbraw/zinc/12/50/56/251125056.db2.gz OQCDTKQTJXQQOL-CQSZACIVSA-N 2 2 339.443 1.791 20 0 EDADLP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[C@@H]1C ZINC000417270591 251151159 /nfs/dbraw/zinc/15/11/59/251151159.db2.gz OIQNHUZWTYGFCA-CHWSQXEVSA-N 2 2 331.395 1.903 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000417581206 251196588 /nfs/dbraw/zinc/19/65/88/251196588.db2.gz FLILQXMLONFJOU-QWHCGFSZSA-N 2 2 340.418 1.966 20 0 EDADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000417581206 251196593 /nfs/dbraw/zinc/19/65/93/251196593.db2.gz FLILQXMLONFJOU-QWHCGFSZSA-N 2 2 340.418 1.966 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C1C[NH2+]C1 ZINC000262401278 139276403 /nfs/dbraw/zinc/27/64/03/139276403.db2.gz PPHXFJJIILRMIZ-MGPQQGTHSA-N 2 2 332.448 1.167 20 0 EDADLP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000417659660 251215451 /nfs/dbraw/zinc/21/54/51/251215451.db2.gz LPTQCXACZVJJDW-IUODEOHRSA-N 2 2 340.418 1.818 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000417656998 251215794 /nfs/dbraw/zinc/21/57/94/251215794.db2.gz HEAFPWPMLGTWEH-DDTOSNHZSA-N 2 2 326.391 1.699 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418113632 251327284 /nfs/dbraw/zinc/32/72/84/251327284.db2.gz JTUHCYMDWXEFGF-KRWDZBQOSA-N 2 2 346.475 1.413 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)NC[C@@H]1CC[NH2+]C1 ZINC000417857809 251300583 /nfs/dbraw/zinc/30/05/83/251300583.db2.gz YHODPPCGGXAVMA-QGZVFWFLSA-N 2 2 341.459 1.925 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418437557 251370285 /nfs/dbraw/zinc/37/02/85/251370285.db2.gz YIAHRSLVOZRIHI-QZTJIDSGSA-N 2 2 346.475 1.439 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418437557 251370290 /nfs/dbraw/zinc/37/02/90/251370290.db2.gz YIAHRSLVOZRIHI-QZTJIDSGSA-N 2 2 346.475 1.439 20 0 EDADLP [NH3+][C@H](CNC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000262568840 139287211 /nfs/dbraw/zinc/28/72/11/139287211.db2.gz FWYBYYNXJNSUPT-QGZVFWFLSA-N 2 2 339.443 1.020 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418582922 251378871 /nfs/dbraw/zinc/37/88/71/251378871.db2.gz AOPNJMGODFAORK-QAPCUYQASA-N 2 2 345.491 1.987 20 0 EDADLP C[NH2+]CCC(=O)N[C@H](c1[nH+]ccn1C)c1cc(OC)cc(OC)c1 ZINC000262558544 139286486 /nfs/dbraw/zinc/28/64/86/139286486.db2.gz QDNUHNIRGICAQO-INIZCTEOSA-N 2 2 332.404 1.252 20 0 EDADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262668137 139294982 /nfs/dbraw/zinc/29/49/82/139294982.db2.gz LPIKHLOYDFTFIO-ALOPSCKCSA-N 2 2 344.459 1.455 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@](C)([NH3+])CCC)CC2)cn1 ZINC000262717085 139298649 /nfs/dbraw/zinc/29/86/49/139298649.db2.gz WCWTZSBVSUZYQL-GOSISDBHSA-N 2 2 335.496 1.845 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@](C)([NH3+])CCC)CC2)cn1 ZINC000262717085 139298650 /nfs/dbraw/zinc/29/86/50/139298650.db2.gz WCWTZSBVSUZYQL-GOSISDBHSA-N 2 2 335.496 1.845 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)cn21 ZINC000262703555 139297625 /nfs/dbraw/zinc/29/76/25/139297625.db2.gz CSKZZNDTALEFON-OAHLLOKOSA-N 2 2 338.415 1.694 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422878747 252010322 /nfs/dbraw/zinc/01/03/22/252010322.db2.gz KNFXCEIPXLBSNZ-VQIMIIECSA-N 2 2 344.503 1.975 20 0 EDADLP CC[C@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)[C@@H]1CCC[NH2+]1 ZINC000422882757 252010415 /nfs/dbraw/zinc/01/04/15/252010415.db2.gz TWCCSMSTAKVAPO-RLFYNMQTSA-N 2 2 330.432 1.361 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422896277 252015640 /nfs/dbraw/zinc/01/56/40/252015640.db2.gz IBGNQWYZJRYSNP-OALUTQOASA-N 3 2 333.476 1.484 20 0 EDADLP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[NH2+]C2)cc1Br ZINC000423149021 252037706 /nfs/dbraw/zinc/03/77/06/252037706.db2.gz ADUQPVSJEUYXKN-STQMWFEESA-N 2 2 343.265 1.560 20 0 EDADLP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1CC[NH2+]C1 ZINC000423151182 252038319 /nfs/dbraw/zinc/03/83/19/252038319.db2.gz CURWNBSRUFDIBX-BXUZGUMPSA-N 2 2 343.265 1.560 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000423644551 252063446 /nfs/dbraw/zinc/06/34/46/252063446.db2.gz ZTQMZUTZHOUQNI-CLCXKQKWSA-N 2 2 326.444 1.977 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCC[NH2+]1 ZINC000422908334 252019175 /nfs/dbraw/zinc/01/91/75/252019175.db2.gz YGWNMMGHZGJSHU-NOLJZWGESA-N 2 2 333.432 1.041 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422912520 252019614 /nfs/dbraw/zinc/01/96/14/252019614.db2.gz WLYPHFBKTHBRHH-CRAIPNDOSA-N 3 2 332.492 1.598 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000423856865 252094664 /nfs/dbraw/zinc/09/46/64/252094664.db2.gz ZZZYJJFDYSTBMV-IBGZPJMESA-N 2 2 344.459 1.289 20 0 EDADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424154789 252147491 /nfs/dbraw/zinc/14/74/91/252147491.db2.gz LYWQEDUWKQHXIP-AWEZNQCLSA-N 2 2 337.387 1.845 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424169368 252151704 /nfs/dbraw/zinc/15/17/04/252151704.db2.gz JQUCFQKMTYPWJT-IRIUXVKKSA-N 2 2 327.350 1.703 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424169368 252151705 /nfs/dbraw/zinc/15/17/05/252151705.db2.gz JQUCFQKMTYPWJT-IRIUXVKKSA-N 2 2 327.350 1.703 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000424277452 252188228 /nfs/dbraw/zinc/18/82/28/252188228.db2.gz AKMQCNRWYGVBAA-QZTJIDSGSA-N 2 2 345.487 1.711 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000424334643 252198538 /nfs/dbraw/zinc/19/85/38/252198538.db2.gz NTNJWNOFMGYFQS-OCVGTWLNSA-N 2 2 347.459 1.883 20 0 EDADLP CN(C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000424471276 252243167 /nfs/dbraw/zinc/24/31/67/252243167.db2.gz SEESXRFCYHVKSK-ICIURTGMSA-N 2 2 330.423 1.498 20 0 EDADLP CN(C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000424471276 252243171 /nfs/dbraw/zinc/24/31/71/252243171.db2.gz SEESXRFCYHVKSK-ICIURTGMSA-N 2 2 330.423 1.498 20 0 EDADLP CCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425900565 252313002 /nfs/dbraw/zinc/31/30/02/252313002.db2.gz ODUDFXBXIUEVCP-CQSZACIVSA-N 2 2 330.436 1.920 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415659147 304250223 /nfs/dbraw/zinc/25/02/23/304250223.db2.gz MJNMZBQBCUXEIK-LLVKDONJSA-N 2 2 343.431 1.503 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCOC[C@H]3CCCO3)c2cc1C ZINC000570155688 306531760 /nfs/dbraw/zinc/53/17/60/306531760.db2.gz PDRLVOGQIMUIMN-DLBZAZTESA-N 2 2 347.459 1.799 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415771023 304267586 /nfs/dbraw/zinc/26/75/86/304267586.db2.gz RJSJCDXFBUGABA-CZUORRHYSA-N 2 2 339.399 1.021 20 0 EDADLP C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000153961220 224182167 /nfs/dbraw/zinc/18/21/67/224182167.db2.gz AMGCHJLFOXYGBQ-BZUAXINKSA-N 2 2 348.466 1.545 20 0 EDADLP C[N@@H+]1CC[C@](O)(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000492585674 255181363 /nfs/dbraw/zinc/18/13/63/255181363.db2.gz XTVGMJIWQGQFRL-GINYUPMKSA-N 2 2 326.400 1.068 20 0 EDADLP C[N@H+]1CC[C@](O)(CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000492585674 255181364 /nfs/dbraw/zinc/18/13/64/255181364.db2.gz XTVGMJIWQGQFRL-GINYUPMKSA-N 2 2 326.400 1.068 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)C=Cc3c[nH]c[nH+]3)CCCC2)CC1 ZINC000493550553 255215106 /nfs/dbraw/zinc/21/51/06/255215106.db2.gz MLZZSHHPYSINIG-SNAWJCMRSA-N 2 2 332.448 1.963 20 0 EDADLP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000493192004 255195315 /nfs/dbraw/zinc/19/53/15/255195315.db2.gz QHKFHAMIOQEJRI-KKTNHOPESA-N 2 2 330.388 1.363 20 0 EDADLP C[NH+](C)Cc1ccc(N2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)CC2)nc1 ZINC000493254958 255199790 /nfs/dbraw/zinc/19/97/90/255199790.db2.gz MOCFWQGECDQVCO-GQCTYLIASA-N 2 2 340.431 1.228 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000494692886 255258280 /nfs/dbraw/zinc/25/82/80/255258280.db2.gz WBHYRHNMCISULR-CVEARBPZSA-N 2 2 328.501 1.373 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C)CCO1 ZINC000494692886 255258281 /nfs/dbraw/zinc/25/82/81/255258281.db2.gz WBHYRHNMCISULR-CVEARBPZSA-N 2 2 328.501 1.373 20 0 EDADLP CN(C[C@@H](O)C[NH2+]C[C@]1([NH+](C)C)CCSC1)C(=O)OC(C)(C)C ZINC000496153051 255357909 /nfs/dbraw/zinc/35/79/09/255357909.db2.gz CZQJRFBZFRWHGF-XJKSGUPXSA-N 2 2 347.525 1.241 20 0 EDADLP C[C@@H]1SCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)[C@H]1C ZINC000495857431 255332556 /nfs/dbraw/zinc/33/25/56/255332556.db2.gz HXPAYQSKUOPUHD-XEZPLFJOSA-N 2 2 325.478 1.686 20 0 EDADLP C[C@@H]1SCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)[C@H]1C ZINC000495857431 255332557 /nfs/dbraw/zinc/33/25/57/255332557.db2.gz HXPAYQSKUOPUHD-XEZPLFJOSA-N 2 2 325.478 1.686 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496310310 255378924 /nfs/dbraw/zinc/37/89/24/255378924.db2.gz VKHGNWKPQGFTHQ-HOCLYGCPSA-N 2 2 341.496 1.678 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496310310 255378925 /nfs/dbraw/zinc/37/89/25/255378925.db2.gz VKHGNWKPQGFTHQ-HOCLYGCPSA-N 2 2 341.496 1.678 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498847 255399699 /nfs/dbraw/zinc/39/96/99/255399699.db2.gz JGTUHPHYWDCWPY-QAPCUYQASA-N 2 2 341.496 1.774 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498847 255399700 /nfs/dbraw/zinc/39/97/00/255399700.db2.gz JGTUHPHYWDCWPY-QAPCUYQASA-N 2 2 341.496 1.774 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498847 255399701 /nfs/dbraw/zinc/39/97/01/255399701.db2.gz JGTUHPHYWDCWPY-QAPCUYQASA-N 2 2 341.496 1.774 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000496498847 255399702 /nfs/dbraw/zinc/39/97/02/255399702.db2.gz JGTUHPHYWDCWPY-QAPCUYQASA-N 2 2 341.496 1.774 20 0 EDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(C)[nH+]c2C)CC1=O ZINC000119154278 221254758 /nfs/dbraw/zinc/25/47/58/221254758.db2.gz AAYAZGGLWLDYJN-CVEARBPZSA-N 2 2 344.459 1.970 20 0 EDADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(C)[nH+]c2C)CC1=O ZINC000119154278 221254760 /nfs/dbraw/zinc/25/47/60/221254760.db2.gz AAYAZGGLWLDYJN-CVEARBPZSA-N 2 2 344.459 1.970 20 0 EDADLP Cc1cc(NC(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)on1 ZINC000119560737 221347958 /nfs/dbraw/zinc/34/79/58/221347958.db2.gz RDCRBJZIUGIQFO-XYPWUTKMSA-N 2 2 347.463 1.164 20 0 EDADLP Cc1cc(NC(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)on1 ZINC000119560737 221347962 /nfs/dbraw/zinc/34/79/62/221347962.db2.gz RDCRBJZIUGIQFO-XYPWUTKMSA-N 2 2 347.463 1.164 20 0 EDADLP CNC(=O)C(C)(C)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119734991 221388923 /nfs/dbraw/zinc/38/89/23/221388923.db2.gz UCEDMUWWHPCTJQ-UHFFFAOYSA-N 2 2 325.376 1.395 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000264285890 139393603 /nfs/dbraw/zinc/39/36/03/139393603.db2.gz ZPDIFHPZOKWWAS-GOSISDBHSA-N 2 2 333.476 1.860 20 0 EDADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000262373232 285384143 /nfs/dbraw/zinc/38/41/43/285384143.db2.gz WXVLEUSPGBAMHU-DOMZBBRYSA-N 2 2 325.840 1.519 20 0 EDADLP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000571433074 306565772 /nfs/dbraw/zinc/56/57/72/306565772.db2.gz PQQQIXWBUCPXOZ-WSMBLCCSSA-N 2 2 338.496 1.028 20 0 EDADLP C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000085300577 132821071 /nfs/dbraw/zinc/82/10/71/132821071.db2.gz HQVGSQSNTDMNQX-FGTMMUONSA-N 2 2 327.476 1.791 20 0 EDADLP O=C(CC[N@H+]1CCc2ccccc2C1)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000416240115 304299336 /nfs/dbraw/zinc/29/93/36/304299336.db2.gz AYYIYOPINRJVSJ-KDURUIRLSA-N 2 2 343.471 1.414 20 0 EDADLP O=C(CC[NH+]1CCc2ccccc2C1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000416240115 304299339 /nfs/dbraw/zinc/29/93/39/304299339.db2.gz AYYIYOPINRJVSJ-KDURUIRLSA-N 2 2 343.471 1.414 20 0 EDADLP O=C(CC[NH+]1CCc2ccccc2C1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000416240115 304299342 /nfs/dbraw/zinc/29/93/42/304299342.db2.gz AYYIYOPINRJVSJ-KDURUIRLSA-N 2 2 343.471 1.414 20 0 EDADLP Cc1[nH+]ccn1CCN1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000270671522 140144846 /nfs/dbraw/zinc/14/48/46/140144846.db2.gz ROIMXMVBUFFLOB-GOSISDBHSA-N 2 2 344.459 1.249 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000270671522 140144848 /nfs/dbraw/zinc/14/48/48/140144848.db2.gz ROIMXMVBUFFLOB-GOSISDBHSA-N 2 2 344.459 1.249 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000270921742 140199189 /nfs/dbraw/zinc/19/91/89/140199189.db2.gz CZKLWPWUVHTBOW-CQSZACIVSA-N 2 2 337.489 1.191 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000270921742 140199190 /nfs/dbraw/zinc/19/91/90/140199190.db2.gz CZKLWPWUVHTBOW-CQSZACIVSA-N 2 2 337.489 1.191 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H](O)CCc2ccccc2)CC1 ZINC000270995809 140216229 /nfs/dbraw/zinc/21/62/29/140216229.db2.gz LALJMLQMTWMVBP-GOSISDBHSA-N 2 2 333.476 1.122 20 0 EDADLP CC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000271672179 140331314 /nfs/dbraw/zinc/33/13/14/140331314.db2.gz NGRFSNFQTUAGOE-QGZVFWFLSA-N 2 2 333.476 1.954 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271751719 140344368 /nfs/dbraw/zinc/34/43/68/140344368.db2.gz HTVKURDZBFLWHX-CYBMUJFWSA-N 2 2 337.489 1.859 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CCN1c1nccn2cnnc12 ZINC000271782249 140349560 /nfs/dbraw/zinc/34/95/60/140349560.db2.gz HWUSFWHMWLSOPF-AWEZNQCLSA-N 2 2 348.414 1.483 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CCN1c1nccn2cnnc12 ZINC000271782249 140349562 /nfs/dbraw/zinc/34/95/62/140349562.db2.gz HWUSFWHMWLSOPF-AWEZNQCLSA-N 2 2 348.414 1.483 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000331300155 141005400 /nfs/dbraw/zinc/00/54/00/141005400.db2.gz DSGUMZQPHDRCDI-KBPBESRZSA-N 2 2 334.464 1.904 20 0 EDADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000331300155 141005401 /nfs/dbraw/zinc/00/54/01/141005401.db2.gz DSGUMZQPHDRCDI-KBPBESRZSA-N 2 2 334.464 1.904 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000331403081 141017750 /nfs/dbraw/zinc/01/77/50/141017750.db2.gz MPUSHVUXVGLOMS-UHFFFAOYSA-N 2 2 330.436 1.479 20 0 EDADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000331686453 141067457 /nfs/dbraw/zinc/06/74/57/141067457.db2.gz XPCLWSLAKDVABL-MAUKXSAKSA-N 2 2 333.432 1.475 20 0 EDADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000331686453 141067458 /nfs/dbraw/zinc/06/74/58/141067458.db2.gz XPCLWSLAKDVABL-MAUKXSAKSA-N 2 2 333.432 1.475 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)[N@H+](C)C1 ZINC000331861809 141090570 /nfs/dbraw/zinc/09/05/70/141090570.db2.gz KLTMRVDZTBCTIZ-IRXDYDNUSA-N 2 2 346.475 1.653 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)[N@@H+](C)C1 ZINC000331861809 141090571 /nfs/dbraw/zinc/09/05/71/141090571.db2.gz KLTMRVDZTBCTIZ-IRXDYDNUSA-N 2 2 346.475 1.653 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C[C@H]1[NH3+] ZINC000331893804 141094947 /nfs/dbraw/zinc/09/49/47/141094947.db2.gz TUMSTDRJJDJAQZ-GOEBONIOSA-N 2 2 331.464 1.807 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)[nH+]1 ZINC000331948335 141102024 /nfs/dbraw/zinc/10/20/24/141102024.db2.gz SHPFLETXIRHKDL-INIZCTEOSA-N 2 2 330.432 1.628 20 0 EDADLP [NH3+][C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000332506214 141192926 /nfs/dbraw/zinc/19/29/26/141192926.db2.gz BNCPJYUFGWZZJK-IRXDYDNUSA-N 2 2 334.439 1.923 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000332999148 141248707 /nfs/dbraw/zinc/24/87/07/141248707.db2.gz ANXZEXIHOAURGL-GDBMZVCRSA-N 2 2 331.464 1.936 20 0 EDADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)NC(=O)NC1CC1 ZINC000333022813 141251602 /nfs/dbraw/zinc/25/16/02/141251602.db2.gz JSVPLDJXKYBSGC-UHFFFAOYSA-N 2 2 345.447 1.387 20 0 EDADLP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333666863 141352854 /nfs/dbraw/zinc/35/28/54/141352854.db2.gz XSOMDJACKQUKGC-UHFFFAOYSA-N 2 2 331.464 1.895 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](CC)[N@H+](C)Cc2ccccc2)CC1 ZINC000339276657 142001376 /nfs/dbraw/zinc/00/13/76/142001376.db2.gz VLDBDLKHVYGQDY-OALUTQOASA-N 2 2 347.503 1.812 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000339276657 142001377 /nfs/dbraw/zinc/00/13/77/142001377.db2.gz VLDBDLKHVYGQDY-OALUTQOASA-N 2 2 347.503 1.812 20 0 EDADLP C[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)[NH+]1C ZINC000339622083 142097993 /nfs/dbraw/zinc/09/79/93/142097993.db2.gz NAIXLMHCSOOSAN-QZTJIDSGSA-N 2 2 344.503 1.355 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000345815855 143136397 /nfs/dbraw/zinc/13/63/97/143136397.db2.gz RUJXVHHUDGPKPD-ZDUSSCGKSA-N 2 2 327.375 1.322 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C ZINC000345998793 143155652 /nfs/dbraw/zinc/15/56/52/143155652.db2.gz VVKTWBPXJJFDEV-CVEARBPZSA-N 2 2 347.507 1.573 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@H]1C ZINC000345998793 143155653 /nfs/dbraw/zinc/15/56/53/143155653.db2.gz VVKTWBPXJJFDEV-CVEARBPZSA-N 2 2 347.507 1.573 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000346216935 143179823 /nfs/dbraw/zinc/17/98/23/143179823.db2.gz INVOZZMSZPNEGW-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000346216935 143179824 /nfs/dbraw/zinc/17/98/24/143179824.db2.gz INVOZZMSZPNEGW-AEFFLSMTSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C(N)=O ZINC000346593514 143219911 /nfs/dbraw/zinc/21/99/11/143219911.db2.gz VSOLDSFWVLXHRD-NJAFHUGGSA-N 2 2 331.460 1.331 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C(N)=O ZINC000346593514 143219912 /nfs/dbraw/zinc/21/99/12/143219912.db2.gz VSOLDSFWVLXHRD-NJAFHUGGSA-N 2 2 331.460 1.331 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C(N)=O ZINC000346593514 143219913 /nfs/dbraw/zinc/21/99/13/143219913.db2.gz VSOLDSFWVLXHRD-NJAFHUGGSA-N 2 2 331.460 1.331 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C(N)=O ZINC000346593514 143219914 /nfs/dbraw/zinc/21/99/14/143219914.db2.gz VSOLDSFWVLXHRD-NJAFHUGGSA-N 2 2 331.460 1.331 20 0 EDADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCCCC1 ZINC000346642050 143225213 /nfs/dbraw/zinc/22/52/13/143225213.db2.gz RYOWCLOPBOZHIR-AEFFLSMTSA-N 2 2 337.508 1.868 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[N@H+](C)C1 ZINC000346703119 143234607 /nfs/dbraw/zinc/23/46/07/143234607.db2.gz VRPSKUPYWKZBDR-MSOLQXFVSA-N 2 2 342.443 1.723 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)[N@@H+](C)C1 ZINC000346703119 143234608 /nfs/dbraw/zinc/23/46/08/143234608.db2.gz VRPSKUPYWKZBDR-MSOLQXFVSA-N 2 2 342.443 1.723 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cnc(CC3CC3)nc2)CC1 ZINC000346852053 143251869 /nfs/dbraw/zinc/25/18/69/143251869.db2.gz PNSNBTUQQIPDLP-UHFFFAOYSA-N 2 2 346.479 1.577 20 0 EDADLP O=C(C[N@@H+](CCCO)Cc1ccccn1)NC1CC[NH+](C2CC2)CC1 ZINC000347091565 143281549 /nfs/dbraw/zinc/28/15/49/143281549.db2.gz PDMQDZWFRFOGTG-UHFFFAOYSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(C[N@H+](CCCO)Cc1ccccn1)NC1CC[NH+](C2CC2)CC1 ZINC000347091565 143281550 /nfs/dbraw/zinc/28/15/50/143281550.db2.gz PDMQDZWFRFOGTG-UHFFFAOYSA-N 2 2 346.475 1.009 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)sc2C1 ZINC000347277575 143303023 /nfs/dbraw/zinc/30/30/23/143303023.db2.gz WBMRSLWVZUNUCC-OGHNNQOOSA-N 2 2 348.516 1.995 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)sc2C1 ZINC000347277575 143303024 /nfs/dbraw/zinc/30/30/24/143303024.db2.gz WBMRSLWVZUNUCC-OGHNNQOOSA-N 2 2 348.516 1.995 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)sc2C1 ZINC000347277575 143303025 /nfs/dbraw/zinc/30/30/25/143303025.db2.gz WBMRSLWVZUNUCC-OGHNNQOOSA-N 2 2 348.516 1.995 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)sc2C1 ZINC000347277575 143303026 /nfs/dbraw/zinc/30/30/26/143303026.db2.gz WBMRSLWVZUNUCC-OGHNNQOOSA-N 2 2 348.516 1.995 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(OC)cc(C)n2)nc[nH+]1 ZINC000347701442 143351660 /nfs/dbraw/zinc/35/16/60/143351660.db2.gz LGGMZAFNBSJJPL-OAHLLOKOSA-N 2 2 342.447 1.989 20 0 EDADLP CCc1cnc(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000572870193 306601980 /nfs/dbraw/zinc/60/19/80/306601980.db2.gz FUDPPWBWNJSHHI-MCIONIFRSA-N 2 2 327.494 1.308 20 0 EDADLP Cc1noc(C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)c2ccccc2)n1 ZINC000573080292 306610692 /nfs/dbraw/zinc/61/06/92/306610692.db2.gz KNHMKYSNGDQGIB-MRXNPFEDSA-N 2 2 343.431 1.025 20 0 EDADLP COCCCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369754235 155163661 /nfs/dbraw/zinc/16/36/61/155163661.db2.gz IWKJJCNQSCIIOQ-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP COCCCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369754235 155163664 /nfs/dbraw/zinc/16/36/64/155163664.db2.gz IWKJJCNQSCIIOQ-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP CC1(C)CC(NC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC(C)(C)[NH2+]1 ZINC000416797376 304349017 /nfs/dbraw/zinc/34/90/17/304349017.db2.gz YISFOYFZVWSFDS-NSHDSACASA-N 2 2 332.439 1.840 20 0 EDADLP CCC[NH2+]CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416822010 304350327 /nfs/dbraw/zinc/35/03/27/304350327.db2.gz MGDZZOXIQVJZKL-CQSZACIVSA-N 2 2 340.493 1.420 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000352748589 149148040 /nfs/dbraw/zinc/14/80/40/149148040.db2.gz LZCJZZCAIICGDN-UHFFFAOYSA-N 2 2 337.387 1.955 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[N@@H+]1C ZINC000352752016 149149747 /nfs/dbraw/zinc/14/97/47/149149747.db2.gz IFLODQWVQDLNAW-ZFWWWQNUSA-N 2 2 328.420 1.931 20 0 EDADLP C[C@H]1[C@@H](NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)CCC[N@H+]1C ZINC000352752016 149149748 /nfs/dbraw/zinc/14/97/48/149149748.db2.gz IFLODQWVQDLNAW-ZFWWWQNUSA-N 2 2 328.420 1.931 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)[NH+]2CCOCC2)cc1 ZINC000237879042 292200723 /nfs/dbraw/zinc/20/07/23/292200723.db2.gz MYVMHQYGBPMPTG-ZWKOTPCHSA-N 2 2 331.460 1.627 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H](C)C2C[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000262441536 292200766 /nfs/dbraw/zinc/20/07/66/292200766.db2.gz UYQNDRXOXYWARS-MAUKXSAKSA-N 2 2 331.460 1.340 20 0 EDADLP CSc1ccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)s1 ZINC000352844721 149188214 /nfs/dbraw/zinc/18/82/14/149188214.db2.gz QQPUEUPKAWHQQB-UHFFFAOYSA-N 2 2 343.562 1.950 20 0 EDADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352923132 149216855 /nfs/dbraw/zinc/21/68/55/149216855.db2.gz GQLDFLAAYCBGDF-JWTNVVGKSA-N 3 2 334.508 1.286 20 0 EDADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352923132 149216859 /nfs/dbraw/zinc/21/68/59/149216859.db2.gz GQLDFLAAYCBGDF-JWTNVVGKSA-N 3 2 334.508 1.286 20 0 EDADLP C[NH+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352923132 149216862 /nfs/dbraw/zinc/21/68/62/149216862.db2.gz GQLDFLAAYCBGDF-JWTNVVGKSA-N 3 2 334.508 1.286 20 0 EDADLP C[NH+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352923132 149216866 /nfs/dbraw/zinc/21/68/66/149216866.db2.gz GQLDFLAAYCBGDF-JWTNVVGKSA-N 3 2 334.508 1.286 20 0 EDADLP CC[C@@H]([NH3+])CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000416902033 304354854 /nfs/dbraw/zinc/35/48/54/304354854.db2.gz CVOFWZJEWJCAOF-UKRRQHHQSA-N 2 2 331.420 1.555 20 0 EDADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCC[C@@H]1CC[NH2+]C1 ZINC000416960610 304355508 /nfs/dbraw/zinc/35/55/08/304355508.db2.gz RBENKXRJCJFQCY-INIZCTEOSA-N 2 2 341.459 1.773 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C[C@H](C)OC)CC2)cc1 ZINC000353200661 149322094 /nfs/dbraw/zinc/32/20/94/149322094.db2.gz KFANGOKAWMLQIT-INIZCTEOSA-N 2 2 349.475 1.306 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)C[C@H](C)OC)CC2)cc1 ZINC000353200661 149322096 /nfs/dbraw/zinc/32/20/96/149322096.db2.gz KFANGOKAWMLQIT-INIZCTEOSA-N 2 2 349.475 1.306 20 0 EDADLP CO[C@@H](C)C[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000353220529 149329195 /nfs/dbraw/zinc/32/91/95/149329195.db2.gz PVNLYEANUGSKDD-IRXDYDNUSA-N 2 2 333.476 1.859 20 0 EDADLP CO[C@@H](C)C[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000353220529 149329196 /nfs/dbraw/zinc/32/91/96/149329196.db2.gz PVNLYEANUGSKDD-IRXDYDNUSA-N 2 2 333.476 1.859 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000353260932 149343204 /nfs/dbraw/zinc/34/32/04/149343204.db2.gz PHHLZJTZHQKLNG-OAHLLOKOSA-N 2 2 343.475 1.759 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000353260932 149343206 /nfs/dbraw/zinc/34/32/06/149343206.db2.gz PHHLZJTZHQKLNG-OAHLLOKOSA-N 2 2 343.475 1.759 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000353335146 149369477 /nfs/dbraw/zinc/36/94/77/149369477.db2.gz JAODGZOAUFYFGA-CABCVRRESA-N 2 2 344.459 1.960 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000353336405 149370886 /nfs/dbraw/zinc/37/08/86/149370886.db2.gz YCRQJYUYYLQOBI-SBUREZEXSA-N 2 2 335.517 1.636 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000353336405 149370887 /nfs/dbraw/zinc/37/08/87/149370887.db2.gz YCRQJYUYYLQOBI-SBUREZEXSA-N 2 2 335.517 1.636 20 0 EDADLP C[C@H]1C[NH+](CCN(C)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H](C)O1 ZINC000353343812 149373215 /nfs/dbraw/zinc/37/32/15/149373215.db2.gz DKANEFHUQBRIPH-KBPBESRZSA-N 2 2 331.420 1.907 20 0 EDADLP C[NH+](C)C1(C(=O)N2CC[NH+](CC(C)(C)O)CC2)Cc2ccccc2C1 ZINC000369934246 155243080 /nfs/dbraw/zinc/24/30/80/155243080.db2.gz HLGRYXKVCXKHIQ-UHFFFAOYSA-N 2 2 345.487 1.001 20 0 EDADLP CCOCC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346914241 286127983 /nfs/dbraw/zinc/12/79/83/286127983.db2.gz FPAPHFJJTAAGBD-RYRKJORJSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346914241 286127985 /nfs/dbraw/zinc/12/79/85/286127985.db2.gz FPAPHFJJTAAGBD-RYRKJORJSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346914241 286127986 /nfs/dbraw/zinc/12/79/86/286127986.db2.gz FPAPHFJJTAAGBD-RYRKJORJSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346914241 286127987 /nfs/dbraw/zinc/12/79/87/286127987.db2.gz FPAPHFJJTAAGBD-RYRKJORJSA-N 2 2 338.496 1.522 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000354869129 150004022 /nfs/dbraw/zinc/00/40/22/150004022.db2.gz WIIIEEMGAPTWFA-UKRRQHHQSA-N 2 2 349.458 1.469 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cccnc1 ZINC000354985602 150065758 /nfs/dbraw/zinc/06/57/58/150065758.db2.gz RMQJWPSAZPQECT-HOTGVXAUSA-N 2 2 330.476 1.812 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1cccnc1 ZINC000354985602 150065761 /nfs/dbraw/zinc/06/57/61/150065761.db2.gz RMQJWPSAZPQECT-HOTGVXAUSA-N 2 2 330.476 1.812 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000355068957 150101823 /nfs/dbraw/zinc/10/18/23/150101823.db2.gz LLAANPOTEABWHA-CRAIPNDOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000355068957 150101825 /nfs/dbraw/zinc/10/18/25/150101825.db2.gz LLAANPOTEABWHA-CRAIPNDOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000355073680 150104477 /nfs/dbraw/zinc/10/44/77/150104477.db2.gz RRHHJUJXZRQASY-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000355073680 150104479 /nfs/dbraw/zinc/10/44/79/150104479.db2.gz RRHHJUJXZRQASY-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355073680 150104481 /nfs/dbraw/zinc/10/44/81/150104481.db2.gz RRHHJUJXZRQASY-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355073680 150104484 /nfs/dbraw/zinc/10/44/84/150104484.db2.gz RRHHJUJXZRQASY-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP Cc1noc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000355079656 150107154 /nfs/dbraw/zinc/10/71/54/150107154.db2.gz CZCDJPJQBRVZDS-SWLSCSKDSA-N 2 2 331.420 1.448 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416984084 304361386 /nfs/dbraw/zinc/36/13/86/304361386.db2.gz JWJZTHHBBGKTRU-CTASWTNQSA-N 2 2 347.463 1.326 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C[C@H]1C[NH3+] ZINC000416985317 304361423 /nfs/dbraw/zinc/36/14/23/304361423.db2.gz QADFUOMUYXAMAA-GDBMZVCRSA-N 2 2 347.463 1.045 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CCCO1 ZINC000355441454 150269569 /nfs/dbraw/zinc/26/95/69/150269569.db2.gz BYJCUFPMXRXLCM-GDBMZVCRSA-N 2 2 349.479 1.671 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CCCO1 ZINC000355441454 150269573 /nfs/dbraw/zinc/26/95/73/150269573.db2.gz BYJCUFPMXRXLCM-GDBMZVCRSA-N 2 2 349.479 1.671 20 0 EDADLP CCn1nccc1C[N@H+](CCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000355484003 150286389 /nfs/dbraw/zinc/28/63/89/150286389.db2.gz IXUFEHBVTJQXDG-UHFFFAOYSA-N 2 2 340.431 1.787 20 0 EDADLP CCn1nccc1C[N@@H+](CCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000355484003 150286391 /nfs/dbraw/zinc/28/63/91/150286391.db2.gz IXUFEHBVTJQXDG-UHFFFAOYSA-N 2 2 340.431 1.787 20 0 EDADLP CC(C)[NH+](CCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C(C)C ZINC000355508068 150296810 /nfs/dbraw/zinc/29/68/10/150296810.db2.gz NLVPFOKDMCEKPP-UHFFFAOYSA-N 2 2 336.484 1.356 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000355509711 150298520 /nfs/dbraw/zinc/29/85/20/150298520.db2.gz LKSRPQVHOJBYAT-SQWLQELKSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000355509711 150298523 /nfs/dbraw/zinc/29/85/23/150298523.db2.gz LKSRPQVHOJBYAT-SQWLQELKSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000355509711 150298525 /nfs/dbraw/zinc/29/85/25/150298525.db2.gz LKSRPQVHOJBYAT-SQWLQELKSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000355509711 150298530 /nfs/dbraw/zinc/29/85/30/150298530.db2.gz LKSRPQVHOJBYAT-SQWLQELKSA-N 2 2 349.479 1.034 20 0 EDADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417032846 304363226 /nfs/dbraw/zinc/36/32/26/304363226.db2.gz HSEGLOLASJYSKC-QZTJIDSGSA-N 2 2 348.491 1.733 20 0 EDADLP NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000355727873 150376557 /nfs/dbraw/zinc/37/65/57/150376557.db2.gz CTYDTPXQXAPPTN-CYBMUJFWSA-N 2 2 326.447 1.187 20 0 EDADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000355727873 150376560 /nfs/dbraw/zinc/37/65/60/150376560.db2.gz CTYDTPXQXAPPTN-CYBMUJFWSA-N 2 2 326.447 1.187 20 0 EDADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000417037515 304364323 /nfs/dbraw/zinc/36/43/23/304364323.db2.gz UGMATJAWBVNTOA-CRAIPNDOSA-N 2 2 348.491 1.830 20 0 EDADLP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000417037517 304364551 /nfs/dbraw/zinc/36/45/51/304364551.db2.gz UGMATJAWBVNTOA-MAUKXSAKSA-N 2 2 348.491 1.830 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000356251009 150569794 /nfs/dbraw/zinc/56/97/94/150569794.db2.gz ZQKUOTXZFQXIRO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CCCC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000356251009 150569795 /nfs/dbraw/zinc/56/97/95/150569795.db2.gz ZQKUOTXZFQXIRO-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)[N@H+](C)Cc1ccccc1 ZINC000357574898 151071847 /nfs/dbraw/zinc/07/18/47/151071847.db2.gz MRQCUWOPTPGHRW-INIZCTEOSA-N 2 2 341.459 1.589 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000357574898 151071851 /nfs/dbraw/zinc/07/18/51/151071851.db2.gz MRQCUWOPTPGHRW-INIZCTEOSA-N 2 2 341.459 1.589 20 0 EDADLP C[C@@H](CNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000357649375 151101766 /nfs/dbraw/zinc/10/17/66/151101766.db2.gz PTWOVMQSSVQBOV-DLBZAZTESA-N 2 2 347.503 1.683 20 0 EDADLP C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000357649375 151101768 /nfs/dbraw/zinc/10/17/68/151101768.db2.gz PTWOVMQSSVQBOV-DLBZAZTESA-N 2 2 347.503 1.683 20 0 EDADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000417069617 304369368 /nfs/dbraw/zinc/36/93/68/304369368.db2.gz JSERYWISRABPDR-WMLDXEAASA-N 2 2 327.432 1.871 20 0 EDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000357721470 151126112 /nfs/dbraw/zinc/12/61/12/151126112.db2.gz LHFHXMRZOMOXKH-ZBFHGGJFSA-N 2 2 342.505 1.403 20 0 EDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000357721470 151126114 /nfs/dbraw/zinc/12/61/14/151126114.db2.gz LHFHXMRZOMOXKH-ZBFHGGJFSA-N 2 2 342.505 1.403 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000358003702 151230745 /nfs/dbraw/zinc/23/07/45/151230745.db2.gz OAVFXFWWWLNJKH-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000358003702 151230747 /nfs/dbraw/zinc/23/07/47/151230747.db2.gz OAVFXFWWWLNJKH-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000358003702 151230748 /nfs/dbraw/zinc/23/07/48/151230748.db2.gz OAVFXFWWWLNJKH-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP CCCC[NH+](C)C[C@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000358003702 151230751 /nfs/dbraw/zinc/23/07/51/151230751.db2.gz OAVFXFWWWLNJKH-HNNXBMFYSA-N 2 2 328.501 1.517 20 0 EDADLP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000358070966 151257378 /nfs/dbraw/zinc/25/73/78/151257378.db2.gz WRHFHQWVHDNCHT-IEBWSBKVSA-N 2 2 349.450 1.363 20 0 EDADLP C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000358070966 151257379 /nfs/dbraw/zinc/25/73/79/151257379.db2.gz WRHFHQWVHDNCHT-IEBWSBKVSA-N 2 2 349.450 1.363 20 0 EDADLP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000358070966 151257380 /nfs/dbraw/zinc/25/73/80/151257380.db2.gz WRHFHQWVHDNCHT-IEBWSBKVSA-N 2 2 349.450 1.363 20 0 EDADLP C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000358070966 151257381 /nfs/dbraw/zinc/25/73/81/151257381.db2.gz WRHFHQWVHDNCHT-IEBWSBKVSA-N 2 2 349.450 1.363 20 0 EDADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358139222 151286040 /nfs/dbraw/zinc/28/60/40/151286040.db2.gz NBLGFUQFNRIGEH-IBGZPJMESA-N 2 2 328.460 1.704 20 0 EDADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358139222 151286041 /nfs/dbraw/zinc/28/60/41/151286041.db2.gz NBLGFUQFNRIGEH-IBGZPJMESA-N 2 2 328.460 1.704 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)[C@@H](C)C1 ZINC000358309858 151332766 /nfs/dbraw/zinc/33/27/66/151332766.db2.gz XRRFEDJBNFWWNG-JYJNAYRXSA-N 2 2 343.479 1.271 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)[C@@H](C)C1 ZINC000358309858 151332768 /nfs/dbraw/zinc/33/27/68/151332768.db2.gz XRRFEDJBNFWWNG-JYJNAYRXSA-N 2 2 343.479 1.271 20 0 EDADLP CC(C)S(=O)(=O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000370118084 155332567 /nfs/dbraw/zinc/33/25/67/155332567.db2.gz ZZWJSHMGVGJYAE-UHFFFAOYSA-N 2 2 332.510 1.244 20 0 EDADLP CC(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000360436710 152042142 /nfs/dbraw/zinc/04/21/42/152042142.db2.gz MOJJLTQUBCGULC-OAHLLOKOSA-N 2 2 346.475 1.809 20 0 EDADLP CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000360436710 152042145 /nfs/dbraw/zinc/04/21/45/152042145.db2.gz MOJJLTQUBCGULC-OAHLLOKOSA-N 2 2 346.475 1.809 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360661730 152143570 /nfs/dbraw/zinc/14/35/70/152143570.db2.gz BSVLFUZHIRATAL-INIZCTEOSA-N 2 2 339.509 1.776 20 0 EDADLP C[C@H](OC[C@H]1CCCCO1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360897660 152245267 /nfs/dbraw/zinc/24/52/67/152245267.db2.gz NDHKHXNBOUPPQB-DOTOQJQBSA-N 2 2 341.496 1.103 20 0 EDADLP COc1ccc(C[NH2+]C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354872322 286311832 /nfs/dbraw/zinc/31/18/32/286311832.db2.gz QCVYLYBNNSYIIB-LSDHHAIUSA-N 2 2 333.411 1.526 20 0 EDADLP Cc1c(CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cnn1C ZINC000361090194 152298838 /nfs/dbraw/zinc/29/88/38/152298838.db2.gz XWQJFJDRLNVNHW-AWEZNQCLSA-N 2 2 348.495 1.038 20 0 EDADLP Cc1c(CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cnn1C ZINC000361090194 152298842 /nfs/dbraw/zinc/29/88/42/152298842.db2.gz XWQJFJDRLNVNHW-AWEZNQCLSA-N 2 2 348.495 1.038 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@H](O)C(F)(F)F)CC1 ZINC000361120547 152311843 /nfs/dbraw/zinc/31/18/43/152311843.db2.gz BOTGMDOKJWNJIA-LBPRGKRZSA-N 2 2 326.359 1.307 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C2CC2)[NH+]2CCOCC2)cc1 ZINC000417181325 304381546 /nfs/dbraw/zinc/38/15/46/304381546.db2.gz POZWLKFGQDADAG-MSOLQXFVSA-N 2 2 346.475 1.405 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(c3ccc(C(=O)OC)nn3)CC2)CC1 ZINC000363645272 153021426 /nfs/dbraw/zinc/02/14/26/153021426.db2.gz NWEGPAWFAZRDIM-UHFFFAOYSA-N 2 2 347.463 1.260 20 0 EDADLP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CCn1cc[nH+]c1 ZINC000363766738 153051281 /nfs/dbraw/zinc/05/12/81/153051281.db2.gz HVKQMUXFNSKWLG-LJQANCHMSA-N 2 2 342.443 1.369 20 0 EDADLP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CCn1cc[nH+]c1 ZINC000363766738 153051285 /nfs/dbraw/zinc/05/12/85/153051285.db2.gz HVKQMUXFNSKWLG-LJQANCHMSA-N 2 2 342.443 1.369 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCN4C(=O)OC[C@H]4C3)c2cc1C ZINC000363867600 153080143 /nfs/dbraw/zinc/08/01/43/153080143.db2.gz WEYOLWMAMXROQJ-HUUCEWRRSA-N 2 2 344.415 1.150 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCN4C(=O)OC[C@H]4C3)c2cc1C ZINC000363867600 153080144 /nfs/dbraw/zinc/08/01/44/153080144.db2.gz WEYOLWMAMXROQJ-HUUCEWRRSA-N 2 2 344.415 1.150 20 0 EDADLP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cscn3)CC2)C1 ZINC000363901649 153090743 /nfs/dbraw/zinc/09/07/43/153090743.db2.gz SMKLSWBREJEXNZ-OAHLLOKOSA-N 2 2 337.493 1.453 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364701020 153308912 /nfs/dbraw/zinc/30/89/12/153308912.db2.gz WQNMXYRVFWRIKS-CVEARBPZSA-N 2 2 334.464 1.405 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364701020 153308914 /nfs/dbraw/zinc/30/89/14/153308914.db2.gz WQNMXYRVFWRIKS-CVEARBPZSA-N 2 2 334.464 1.405 20 0 EDADLP O=C1NCCCC[C@@H]1[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000364865322 153354573 /nfs/dbraw/zinc/35/45/73/153354573.db2.gz HPKDTLHWIQLREB-HNNXBMFYSA-N 2 2 344.463 1.089 20 0 EDADLP O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000367096293 154008126 /nfs/dbraw/zinc/00/81/26/154008126.db2.gz JYTSZHSIQIEWJA-IRXDYDNUSA-N 2 2 347.463 1.483 20 0 EDADLP O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000367096293 154008128 /nfs/dbraw/zinc/00/81/28/154008128.db2.gz JYTSZHSIQIEWJA-IRXDYDNUSA-N 2 2 347.463 1.483 20 0 EDADLP CN(C(=O)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000367110859 154011632 /nfs/dbraw/zinc/01/16/32/154011632.db2.gz QAYLPOXJKKRZFC-SFHVURJKSA-N 2 2 344.503 1.609 20 0 EDADLP CN(C(=O)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000367110859 154011634 /nfs/dbraw/zinc/01/16/34/154011634.db2.gz QAYLPOXJKKRZFC-SFHVURJKSA-N 2 2 344.503 1.609 20 0 EDADLP CCC[C@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000367990428 154357509 /nfs/dbraw/zinc/35/75/09/154357509.db2.gz WFIZEAIMYNDYSI-IBGZPJMESA-N 2 2 349.475 1.408 20 0 EDADLP CCC[C@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000367990428 154357510 /nfs/dbraw/zinc/35/75/10/154357510.db2.gz WFIZEAIMYNDYSI-IBGZPJMESA-N 2 2 349.475 1.408 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1C ZINC000368018584 154369905 /nfs/dbraw/zinc/36/99/05/154369905.db2.gz JUUOCOMSTCEVBG-YQQAZPJKSA-N 2 2 335.448 1.495 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1C ZINC000368018584 154369909 /nfs/dbraw/zinc/36/99/09/154369909.db2.gz JUUOCOMSTCEVBG-YQQAZPJKSA-N 2 2 335.448 1.495 20 0 EDADLP COC(=O)C[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368046262 154384016 /nfs/dbraw/zinc/38/40/16/154384016.db2.gz XWNLGBIVWICROE-GDBMZVCRSA-N 2 2 339.480 1.203 20 0 EDADLP COC(=O)C[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368046262 154384019 /nfs/dbraw/zinc/38/40/19/154384019.db2.gz XWNLGBIVWICROE-GDBMZVCRSA-N 2 2 339.480 1.203 20 0 EDADLP O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000368804388 154730454 /nfs/dbraw/zinc/73/04/54/154730454.db2.gz DTFUGLXQLVEBOV-QWFCFKBJSA-N 2 2 343.471 1.046 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000369636542 155117439 /nfs/dbraw/zinc/11/74/39/155117439.db2.gz FJNMGKRCWSPUCA-AWEZNQCLSA-N 2 2 336.480 1.675 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000369636542 155117442 /nfs/dbraw/zinc/11/74/42/155117442.db2.gz FJNMGKRCWSPUCA-AWEZNQCLSA-N 2 2 336.480 1.675 20 0 EDADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371637880 156041289 /nfs/dbraw/zinc/04/12/89/156041289.db2.gz MIPHKMKNHNLVIS-GOSISDBHSA-N 2 2 349.450 1.406 20 0 EDADLP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371637880 156041292 /nfs/dbraw/zinc/04/12/92/156041292.db2.gz MIPHKMKNHNLVIS-GOSISDBHSA-N 2 2 349.450 1.406 20 0 EDADLP CCC[C@@H]1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000371665406 156052208 /nfs/dbraw/zinc/05/22/08/156052208.db2.gz MFPDORUVLOZJMV-SOLBZPMBSA-N 2 2 337.508 1.866 20 0 EDADLP CCC[C@@H]1C[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000371665406 156052213 /nfs/dbraw/zinc/05/22/13/156052213.db2.gz MFPDORUVLOZJMV-SOLBZPMBSA-N 2 2 337.508 1.866 20 0 EDADLP CCc1nc(C[NH+]2C[C@@H]3CN(CC[NH+]4CCCCC4)C[C@H]3C2)no1 ZINC000371730435 156079057 /nfs/dbraw/zinc/07/90/57/156079057.db2.gz UAQTZCKRAHGQCD-HOTGVXAUSA-N 2 2 333.480 1.482 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(Cc3cccnc3)nn1)CCC2 ZINC000371746346 156089241 /nfs/dbraw/zinc/08/92/41/156089241.db2.gz IOYTYMUDBZGSHB-INIZCTEOSA-N 2 2 337.431 1.894 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000371855671 156139552 /nfs/dbraw/zinc/13/95/52/156139552.db2.gz HNUHOECTKMDIPF-QGZVFWFLSA-N 2 2 341.459 1.926 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000371855671 156139553 /nfs/dbraw/zinc/13/95/53/156139553.db2.gz HNUHOECTKMDIPF-QGZVFWFLSA-N 2 2 341.459 1.926 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CCO2)CC1 ZINC000371884401 156149594 /nfs/dbraw/zinc/14/95/94/156149594.db2.gz PXVOBGGDUPJIDA-MJGOQNOKSA-N 2 2 333.451 1.761 20 0 EDADLP C[NH+]1CCN(C[C@@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)CCO2)CC1 ZINC000371884401 156149596 /nfs/dbraw/zinc/14/95/96/156149596.db2.gz PXVOBGGDUPJIDA-MJGOQNOKSA-N 2 2 333.451 1.761 20 0 EDADLP COc1ccc(O)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371976240 156192529 /nfs/dbraw/zinc/19/25/29/156192529.db2.gz ZAHMXBPUDCMNGS-HNNXBMFYSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(O)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371976240 156192532 /nfs/dbraw/zinc/19/25/32/156192532.db2.gz ZAHMXBPUDCMNGS-HNNXBMFYSA-N 2 2 347.459 1.641 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000575092170 306664812 /nfs/dbraw/zinc/66/48/12/306664812.db2.gz KYKBJVHPYUASJP-CQSZACIVSA-N 3 2 340.431 1.231 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CSCC[NH+]2Cc2ccccc2)C1 ZINC000373879823 157045780 /nfs/dbraw/zinc/04/57/80/157045780.db2.gz CSXPCIPHGOMCOX-DLBZAZTESA-N 2 2 349.500 1.051 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CSCC[NH+]2Cc2ccccc2)C1 ZINC000373879823 157045782 /nfs/dbraw/zinc/04/57/82/157045782.db2.gz CSXPCIPHGOMCOX-DLBZAZTESA-N 2 2 349.500 1.051 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000373879823 157045784 /nfs/dbraw/zinc/04/57/84/157045784.db2.gz CSXPCIPHGOMCOX-DLBZAZTESA-N 2 2 349.500 1.051 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000373879823 157045786 /nfs/dbraw/zinc/04/57/86/157045786.db2.gz CSXPCIPHGOMCOX-DLBZAZTESA-N 2 2 349.500 1.051 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccccc2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374270502 157221825 /nfs/dbraw/zinc/22/18/25/157221825.db2.gz QXDHVSLDHWHESL-OAHLLOKOSA-N 2 2 333.451 1.995 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2ccccc2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374270502 157221832 /nfs/dbraw/zinc/22/18/32/157221832.db2.gz QXDHVSLDHWHESL-OAHLLOKOSA-N 2 2 333.451 1.995 20 0 EDADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000374287042 157225867 /nfs/dbraw/zinc/22/58/67/157225867.db2.gz IYCCTTRPQDVDJU-ZACQAIPSSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374327801 157246709 /nfs/dbraw/zinc/24/67/09/157246709.db2.gz XGJPXLFGMNNZBT-IEBWSBKVSA-N 2 2 344.503 1.607 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000374351464 157256847 /nfs/dbraw/zinc/25/68/47/157256847.db2.gz MKKOFXGOXWVGNC-SFHVURJKSA-N 2 2 346.475 1.537 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000374351464 157256848 /nfs/dbraw/zinc/25/68/48/157256848.db2.gz MKKOFXGOXWVGNC-SFHVURJKSA-N 2 2 346.475 1.537 20 0 EDADLP COc1ccccc1[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[NH2+]1 ZINC000374368266 157263322 /nfs/dbraw/zinc/26/33/22/157263322.db2.gz YSTSPLXIMJDTLR-KRWDZBQOSA-N 2 2 331.460 1.900 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)[C@H]2CCCCN12 ZINC000374506468 157311056 /nfs/dbraw/zinc/31/10/56/157311056.db2.gz PZCPYRZZYUTTEX-QZTJIDSGSA-N 2 2 328.460 1.789 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC000374570496 157332095 /nfs/dbraw/zinc/33/20/95/157332095.db2.gz YMTKCTZGLMJZJT-CQSZACIVSA-N 2 2 326.448 1.657 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCCN(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000374570496 157332099 /nfs/dbraw/zinc/33/20/99/157332099.db2.gz YMTKCTZGLMJZJT-CQSZACIVSA-N 2 2 326.448 1.657 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])C1CCOCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000374595460 157340851 /nfs/dbraw/zinc/34/08/51/157340851.db2.gz TVWAIWBZLIKBPR-KRWDZBQOSA-N 2 2 332.448 1.263 20 0 EDADLP C[C@@H]1CN(Cc2nc(C(C)(C)C)no2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374608812 157343694 /nfs/dbraw/zinc/34/36/94/157343694.db2.gz XMCWNEFNLFTITR-CQSZACIVSA-N 2 2 335.496 1.967 20 0 EDADLP C[C@@H]1CN(Cc2nc(C(C)(C)C)no2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374608812 157343697 /nfs/dbraw/zinc/34/36/97/157343697.db2.gz XMCWNEFNLFTITR-CQSZACIVSA-N 2 2 335.496 1.967 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccn1 ZINC000374772633 157395545 /nfs/dbraw/zinc/39/55/45/157395545.db2.gz ZZYPAKUULWLDLP-UHFFFAOYSA-N 2 2 343.431 1.765 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccn1 ZINC000374772633 157395549 /nfs/dbraw/zinc/39/55/49/157395549.db2.gz ZZYPAKUULWLDLP-UHFFFAOYSA-N 2 2 343.431 1.765 20 0 EDADLP C[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000377935713 158033487 /nfs/dbraw/zinc/03/34/87/158033487.db2.gz GAHSCPZPLVGTKS-GRDNDAEWSA-N 2 2 329.460 1.424 20 0 EDADLP C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000377935713 158033489 /nfs/dbraw/zinc/03/34/89/158033489.db2.gz GAHSCPZPLVGTKS-GRDNDAEWSA-N 2 2 329.460 1.424 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000378116591 158082979 /nfs/dbraw/zinc/08/29/79/158082979.db2.gz OVFAUVFGTXBDIG-YOEHRIQHSA-N 2 2 327.432 1.869 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000378116591 158082983 /nfs/dbraw/zinc/08/29/83/158082983.db2.gz OVFAUVFGTXBDIG-YOEHRIQHSA-N 2 2 327.432 1.869 20 0 EDADLP CCC(CC)[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH+]1CCOCC1 ZINC000378262685 158123907 /nfs/dbraw/zinc/12/39/07/158123907.db2.gz FOOLGKZEPXZIDJ-IAGOWNOFSA-N 2 2 348.491 1.873 20 0 EDADLP FC(F)(F)CN1CCC([NH2+]C[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000378511186 158194830 /nfs/dbraw/zinc/19/48/30/158194830.db2.gz JJJKPQVOHOPPSE-LSDHHAIUSA-N 2 2 335.414 1.856 20 0 EDADLP FC(F)(F)CN1CCC([NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000378511186 158194832 /nfs/dbraw/zinc/19/48/32/158194832.db2.gz JJJKPQVOHOPPSE-LSDHHAIUSA-N 2 2 335.414 1.856 20 0 EDADLP CN(C(=O)c1ccc(O)cc1O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378561075 158209048 /nfs/dbraw/zinc/20/90/48/158209048.db2.gz TXILLVDMROZVED-AWEZNQCLSA-N 2 2 333.432 1.338 20 0 EDADLP CN(C(=O)c1ccc(O)cc1O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378561075 158209051 /nfs/dbraw/zinc/20/90/51/158209051.db2.gz TXILLVDMROZVED-AWEZNQCLSA-N 2 2 333.432 1.338 20 0 EDADLP CC[NH+](CC)CCN(CCOC)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000352395335 162160233 /nfs/dbraw/zinc/16/02/33/162160233.db2.gz GNQZQQZIDWLBPD-UHFFFAOYSA-N 2 2 345.447 1.698 20 0 EDADLP C[C@H]1OCC[C@H]1[N@H+](CCO)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352401787 162165720 /nfs/dbraw/zinc/16/57/20/162165720.db2.gz JAKKVWLFVDJOBG-UYAOXDASSA-N 2 2 347.503 1.670 20 0 EDADLP C[C@H]1OCC[C@H]1[N@@H+](CCO)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352401787 162165723 /nfs/dbraw/zinc/16/57/23/162165723.db2.gz JAKKVWLFVDJOBG-UYAOXDASSA-N 2 2 347.503 1.670 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352488856 162208000 /nfs/dbraw/zinc/20/80/00/162208000.db2.gz VMNZQLUNJGPLRS-MRXNPFEDSA-N 2 2 332.448 1.530 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352488856 162208005 /nfs/dbraw/zinc/20/80/05/162208005.db2.gz VMNZQLUNJGPLRS-MRXNPFEDSA-N 2 2 332.448 1.530 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352489016 162208288 /nfs/dbraw/zinc/20/82/88/162208288.db2.gz WZAXTRKKAMJYQL-AEFFLSMTSA-N 2 2 330.476 1.013 20 0 EDADLP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352508584 162218972 /nfs/dbraw/zinc/21/89/72/162218972.db2.gz HVYQCWQXQLQRBM-RDJZCZTQSA-N 2 2 346.475 1.392 20 0 EDADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352510727 162221081 /nfs/dbraw/zinc/22/10/81/162221081.db2.gz PFPNMAQLDHMELN-HOCLYGCPSA-N 2 2 334.439 1.441 20 0 EDADLP Oc1ccc(Br)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352546557 162244212 /nfs/dbraw/zinc/24/42/12/162244212.db2.gz WVYFZYDGSVAEBB-CYBMUJFWSA-N 2 2 340.265 1.634 20 0 EDADLP Cc1cccc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000051777772 287221845 /nfs/dbraw/zinc/22/18/45/287221845.db2.gz UMZOZRQUCSMEJT-UHFFFAOYSA-N 2 2 345.491 1.748 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOc2cccc(C)c2)CC1 ZINC000070870232 287253195 /nfs/dbraw/zinc/25/31/95/287253195.db2.gz AMXJRMLENVTYOB-KRWDZBQOSA-N 2 2 333.476 1.858 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOc2cccc(C)c2)CC1 ZINC000070870232 287253197 /nfs/dbraw/zinc/25/31/97/287253197.db2.gz AMXJRMLENVTYOB-KRWDZBQOSA-N 2 2 333.476 1.858 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000074134191 287268376 /nfs/dbraw/zinc/26/83/76/287268376.db2.gz HPHSFADKFYZGBF-IAGOWNOFSA-N 2 2 339.528 1.138 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000074134191 287268378 /nfs/dbraw/zinc/26/83/78/287268378.db2.gz HPHSFADKFYZGBF-IAGOWNOFSA-N 2 2 339.528 1.138 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000186846228 533681666 /nfs/dbraw/zinc/68/16/66/533681666.db2.gz DSJUJWYVXWXPMD-MJGOQNOKSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000186846228 533681674 /nfs/dbraw/zinc/68/16/74/533681674.db2.gz DSJUJWYVXWXPMD-MJGOQNOKSA-N 2 2 345.487 1.566 20 0 EDADLP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000167963677 226204601 /nfs/dbraw/zinc/20/46/01/226204601.db2.gz HWMFYXMSWPKIMP-FGTMMUONSA-N 2 2 331.460 1.382 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123827714 222338999 /nfs/dbraw/zinc/33/89/99/222338999.db2.gz HYJPPYCPCIYTCF-UKRRQHHQSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123827714 222339000 /nfs/dbraw/zinc/33/90/00/222339000.db2.gz HYJPPYCPCIYTCF-UKRRQHHQSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123827714 222339004 /nfs/dbraw/zinc/33/90/04/222339004.db2.gz HYJPPYCPCIYTCF-UKRRQHHQSA-N 2 2 348.447 1.758 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123827714 222339008 /nfs/dbraw/zinc/33/90/08/222339008.db2.gz HYJPPYCPCIYTCF-UKRRQHHQSA-N 2 2 348.447 1.758 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418431652 304494946 /nfs/dbraw/zinc/49/49/46/304494946.db2.gz SQWNAEJGGPWNHN-ARFHVFGLSA-N 2 2 333.480 1.902 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C)c2)CC1 ZINC000275421623 268340591 /nfs/dbraw/zinc/34/05/91/268340591.db2.gz AAILKANTPNDVTG-GOSISDBHSA-N 2 2 344.459 1.383 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C)c2)CC1 ZINC000275421623 268340593 /nfs/dbraw/zinc/34/05/93/268340593.db2.gz AAILKANTPNDVTG-GOSISDBHSA-N 2 2 344.459 1.383 20 0 EDADLP COc1cc2[nH+]c(NCC[N@@H+]3CCCOCC3)nc(N)c2cc1OC ZINC000275493122 268351176 /nfs/dbraw/zinc/35/11/76/268351176.db2.gz ROAGKBBWBOAIQT-UHFFFAOYSA-N 2 2 347.419 1.363 20 0 EDADLP COc1cc2[nH+]c(NCC[N@H+]3CCCOCC3)nc(N)c2cc1OC ZINC000275493122 268351177 /nfs/dbraw/zinc/35/11/77/268351177.db2.gz ROAGKBBWBOAIQT-UHFFFAOYSA-N 2 2 347.419 1.363 20 0 EDADLP O=C(C[N@@H+](CCO)C1CCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000275834328 268376269 /nfs/dbraw/zinc/37/62/69/268376269.db2.gz MLVJUVCHVGGKOU-UHFFFAOYSA-N 2 2 337.489 1.239 20 0 EDADLP O=C(C[N@H+](CCO)C1CCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000275834328 268376270 /nfs/dbraw/zinc/37/62/70/268376270.db2.gz MLVJUVCHVGGKOU-UHFFFAOYSA-N 2 2 337.489 1.239 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000647848122 452582673 /nfs/dbraw/zinc/58/26/73/452582673.db2.gz FYXVAFWLMQIJDZ-UHFFFAOYSA-N 2 2 333.354 1.525 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000647848122 452582680 /nfs/dbraw/zinc/58/26/80/452582680.db2.gz FYXVAFWLMQIJDZ-UHFFFAOYSA-N 2 2 333.354 1.525 20 0 EDADLP CC[NH+](CC)CCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000043003901 272910266 /nfs/dbraw/zinc/91/02/66/272910266.db2.gz CDXFUNXOENOTCU-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000276291293 273157925 /nfs/dbraw/zinc/15/79/25/273157925.db2.gz QEAYPUNLGXGGMQ-AWEZNQCLSA-N 2 2 348.447 1.295 20 0 EDADLP CO[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000276996103 273174911 /nfs/dbraw/zinc/17/49/11/273174911.db2.gz NSPSQRWQJOJJQJ-DLBZAZTESA-N 2 2 346.475 1.668 20 0 EDADLP C[NH+](C)C1(CNc2cc(N3CCSCC3)[nH+]cn2)CCOCC1 ZINC000277430278 273196176 /nfs/dbraw/zinc/19/61/76/273196176.db2.gz LUQJIJFEPUVDDS-UHFFFAOYSA-N 2 2 337.493 1.553 20 0 EDADLP O=C(NCC1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000278126140 273248553 /nfs/dbraw/zinc/24/85/53/273248553.db2.gz MGEJDXASCQQXEG-UHFFFAOYSA-N 2 2 346.475 1.981 20 0 EDADLP COc1ccccc1-n1nccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000280418037 273360640 /nfs/dbraw/zinc/36/06/40/273360640.db2.gz BIRRMAHQCDHBPI-MRXNPFEDSA-N 2 2 330.432 1.427 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C1CC[NH+](CC(F)F)CC1)c1ccco1 ZINC000280707748 273388379 /nfs/dbraw/zinc/38/83/79/273388379.db2.gz GEVWJQKXAGDZSH-ZDUSSCGKSA-N 2 2 329.391 1.976 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000281834923 273539331 /nfs/dbraw/zinc/53/93/31/273539331.db2.gz WPHRMKQTYPNJDV-UHFFFAOYSA-N 2 2 345.491 1.148 20 0 EDADLP COc1cc(/C=C/C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1F ZINC000157559694 287685296 /nfs/dbraw/zinc/68/52/96/287685296.db2.gz IGLLXTDWASQKJC-FNORWQNLSA-N 2 2 349.450 1.990 20 0 EDADLP COCCCn1nccc1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000282565011 273678856 /nfs/dbraw/zinc/67/88/56/273678856.db2.gz DSPQGJVYAQJSFQ-UHFFFAOYSA-N 2 2 326.404 1.790 20 0 EDADLP CNC(=O)[C@@H](C)C[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283922427 274012430 /nfs/dbraw/zinc/01/24/30/274012430.db2.gz CGCWPHNFJIUMOO-WMZOPIPTSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283922427 274012431 /nfs/dbraw/zinc/01/24/31/274012431.db2.gz CGCWPHNFJIUMOO-WMZOPIPTSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@@H](C)C[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283922427 274012433 /nfs/dbraw/zinc/01/24/33/274012433.db2.gz CGCWPHNFJIUMOO-WMZOPIPTSA-N 2 2 333.476 1.591 20 0 EDADLP CNC(=O)[C@@H](C)C[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283922427 274012434 /nfs/dbraw/zinc/01/24/34/274012434.db2.gz CGCWPHNFJIUMOO-WMZOPIPTSA-N 2 2 333.476 1.591 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)CC3 ZINC000360592888 274120314 /nfs/dbraw/zinc/12/03/14/274120314.db2.gz DBNFNWHCRGJGCG-CABCVRRESA-N 2 2 342.487 1.869 20 0 EDADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)CC3 ZINC000360592888 274120316 /nfs/dbraw/zinc/12/03/16/274120316.db2.gz DBNFNWHCRGJGCG-CABCVRRESA-N 2 2 342.487 1.869 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[NH+]1CCCCCC1 ZINC000285040487 274432358 /nfs/dbraw/zinc/43/23/58/274432358.db2.gz BNBSAGXBMIYKLG-CKEIUWERSA-N 2 2 347.463 1.121 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831066 452719696 /nfs/dbraw/zinc/71/96/96/452719696.db2.gz NIWOSMHPXGQHKU-DZGCQCFKSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831066 452719691 /nfs/dbraw/zinc/71/96/91/452719691.db2.gz NIWOSMHPXGQHKU-DZGCQCFKSA-N 2 2 343.493 1.028 20 0 EDADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nnnn1C ZINC000189482539 276121396 /nfs/dbraw/zinc/12/13/96/276121396.db2.gz QQRAQFIPFHGIRP-CQSZACIVSA-N 2 2 329.452 1.905 20 0 EDADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1nnnn1C ZINC000189482539 276121397 /nfs/dbraw/zinc/12/13/97/276121397.db2.gz QQRAQFIPFHGIRP-CQSZACIVSA-N 2 2 329.452 1.905 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245427476 276211071 /nfs/dbraw/zinc/21/10/71/276211071.db2.gz MBBOQGRRPURVAT-SJLPKXTDSA-N 2 2 338.540 1.782 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245427476 276211072 /nfs/dbraw/zinc/21/10/72/276211072.db2.gz MBBOQGRRPURVAT-SJLPKXTDSA-N 2 2 338.540 1.782 20 0 EDADLP CCOC(=O)C1(C)CCC([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000354335204 276272901 /nfs/dbraw/zinc/27/29/01/276272901.db2.gz QKTMQCUKKWDRBM-SWKXRBFHSA-N 2 2 339.480 1.428 20 0 EDADLP CCOC(=O)C1(C)CCC([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000354335204 276272903 /nfs/dbraw/zinc/27/29/03/276272903.db2.gz QKTMQCUKKWDRBM-SWKXRBFHSA-N 2 2 339.480 1.428 20 0 EDADLP CC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245902953 276305361 /nfs/dbraw/zinc/30/53/61/276305361.db2.gz UJEZKBGVVCUCRG-HOTGVXAUSA-N 2 2 340.418 1.961 20 0 EDADLP CC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245902953 276305363 /nfs/dbraw/zinc/30/53/63/276305363.db2.gz UJEZKBGVVCUCRG-HOTGVXAUSA-N 2 2 340.418 1.961 20 0 EDADLP CC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245902953 276305364 /nfs/dbraw/zinc/30/53/64/276305364.db2.gz UJEZKBGVVCUCRG-HOTGVXAUSA-N 2 2 340.418 1.961 20 0 EDADLP CC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245902953 276305365 /nfs/dbraw/zinc/30/53/65/276305365.db2.gz UJEZKBGVVCUCRG-HOTGVXAUSA-N 2 2 340.418 1.961 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000246844035 276315846 /nfs/dbraw/zinc/31/58/46/276315846.db2.gz OUDCTHMZBYXTRR-BBWFWOEESA-N 2 2 348.491 1.699 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000246844035 276315848 /nfs/dbraw/zinc/31/58/48/276315848.db2.gz OUDCTHMZBYXTRR-BBWFWOEESA-N 2 2 348.491 1.699 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3COc4ccccc43)C2)CC1 ZINC000369292694 277027806 /nfs/dbraw/zinc/02/78/06/277027806.db2.gz IHIVCBYYPFONRI-RHSMWYFYSA-N 2 2 329.444 1.447 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3COc4ccccc43)C2)CC1 ZINC000369292694 277027808 /nfs/dbraw/zinc/02/78/08/277027808.db2.gz IHIVCBYYPFONRI-RHSMWYFYSA-N 2 2 329.444 1.447 20 0 EDADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]CC(C)(C)C)CC1 ZINC000116922177 277110393 /nfs/dbraw/zinc/11/03/93/277110393.db2.gz FAKKLUUCVNFOOJ-UHFFFAOYSA-N 2 2 339.505 1.758 20 0 EDADLP COC(=O)[C@H](C1CC1)[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348124196 277118240 /nfs/dbraw/zinc/11/82/40/277118240.db2.gz SUUQHIKYUANZSO-FMKPAKJESA-N 2 2 338.427 1.216 20 0 EDADLP COC(=O)[C@H](C1CC1)[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348124196 277118243 /nfs/dbraw/zinc/11/82/43/277118243.db2.gz SUUQHIKYUANZSO-FMKPAKJESA-N 2 2 338.427 1.216 20 0 EDADLP CC(C)(C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000376875077 277122273 /nfs/dbraw/zinc/12/22/73/277122273.db2.gz SHXOKKCDGMKLSC-GOSISDBHSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@@H](c1nnnn1C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000189519427 277654535 /nfs/dbraw/zinc/65/45/35/277654535.db2.gz LQPABGMLXLBCSX-KFWWJZLASA-N 2 2 336.484 1.482 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357092957 278154027 /nfs/dbraw/zinc/15/40/27/278154027.db2.gz VFPKTTMOMOACKR-WBTNSWJXSA-N 2 2 329.444 1.556 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357092957 278154031 /nfs/dbraw/zinc/15/40/31/278154031.db2.gz VFPKTTMOMOACKR-WBTNSWJXSA-N 2 2 329.444 1.556 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332847502 278195896 /nfs/dbraw/zinc/19/58/96/278195896.db2.gz IIXHOKHZVSKEKK-BARDWOONSA-N 2 2 333.480 1.933 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332847502 278195899 /nfs/dbraw/zinc/19/58/99/278195899.db2.gz IIXHOKHZVSKEKK-BARDWOONSA-N 2 2 333.480 1.933 20 0 EDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332847502 278195900 /nfs/dbraw/zinc/19/59/00/278195900.db2.gz IIXHOKHZVSKEKK-BARDWOONSA-N 2 2 333.480 1.933 20 0 EDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332847502 278195901 /nfs/dbraw/zinc/19/59/01/278195901.db2.gz IIXHOKHZVSKEKK-BARDWOONSA-N 2 2 333.480 1.933 20 0 EDADLP CC[NH+](CC)CCCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000376449887 279092467 /nfs/dbraw/zinc/09/24/67/279092467.db2.gz RVXIXSJAAZTIRT-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP CC[NH+](CC)CCCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000376449887 279092468 /nfs/dbraw/zinc/09/24/68/279092468.db2.gz RVXIXSJAAZTIRT-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP C[C@H](C(=O)OC(C)(C)C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343715324 279240081 /nfs/dbraw/zinc/24/00/81/279240081.db2.gz IODFIFZGJYPEAO-HUUCEWRRSA-N 2 2 325.497 1.817 20 0 EDADLP C[C@H](C(=O)OC(C)(C)C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343715324 279240084 /nfs/dbraw/zinc/24/00/84/279240084.db2.gz IODFIFZGJYPEAO-HUUCEWRRSA-N 2 2 325.497 1.817 20 0 EDADLP CC(C)N(C)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346897950 279321238 /nfs/dbraw/zinc/32/12/38/279321238.db2.gz SIBJYMQNMOPQSK-YJBOKZPZSA-N 2 2 335.496 1.602 20 0 EDADLP CC(C)N(C)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346897950 279321241 /nfs/dbraw/zinc/32/12/41/279321241.db2.gz SIBJYMQNMOPQSK-YJBOKZPZSA-N 2 2 335.496 1.602 20 0 EDADLP CC(C)N(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346897950 279321243 /nfs/dbraw/zinc/32/12/43/279321243.db2.gz SIBJYMQNMOPQSK-YJBOKZPZSA-N 2 2 335.496 1.602 20 0 EDADLP CC(C)N(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346897950 279321246 /nfs/dbraw/zinc/32/12/46/279321246.db2.gz SIBJYMQNMOPQSK-YJBOKZPZSA-N 2 2 335.496 1.602 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(C)C3CCCCC3)C2)CC1 ZINC000107371984 279368949 /nfs/dbraw/zinc/36/89/49/279368949.db2.gz ROUPXIWGHWASBQ-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(C)C3CCCCC3)C2)CC1 ZINC000107371984 279368950 /nfs/dbraw/zinc/36/89/50/279368950.db2.gz ROUPXIWGHWASBQ-GOSISDBHSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000287167476 288171325 /nfs/dbraw/zinc/17/13/25/288171325.db2.gz NZDKWOZDLBFZJY-WMLDXEAASA-N 2 2 325.416 1.966 20 0 EDADLP CC[C@@H](COC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372173043 280151484 /nfs/dbraw/zinc/15/14/84/280151484.db2.gz NSCOWJQMNKAWEM-GOEBONIOSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@@H](COC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372173043 280151488 /nfs/dbraw/zinc/15/14/88/280151488.db2.gz NSCOWJQMNKAWEM-GOEBONIOSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1cc(C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)on1 ZINC000262099723 280320701 /nfs/dbraw/zinc/32/07/01/280320701.db2.gz IPFBIKIKIOLBJG-AWEZNQCLSA-N 2 2 329.404 1.501 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@H]3C[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000416995950 288260753 /nfs/dbraw/zinc/26/07/53/288260753.db2.gz WDKKQNZWWRKLHW-FMKPAKJESA-N 2 2 347.463 1.328 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000287726680 288306475 /nfs/dbraw/zinc/30/64/75/288306475.db2.gz SVEWQIALBXYOML-WMZOPIPTSA-N 2 2 348.491 1.618 20 0 EDADLP O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000287796951 288325440 /nfs/dbraw/zinc/32/54/40/288325440.db2.gz OHPVZQRLAMREAH-WMZOPIPTSA-N 2 2 338.879 1.898 20 0 EDADLP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000287796951 288325441 /nfs/dbraw/zinc/32/54/41/288325441.db2.gz OHPVZQRLAMREAH-WMZOPIPTSA-N 2 2 338.879 1.898 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000363166035 288640790 /nfs/dbraw/zinc/64/07/90/288640790.db2.gz MVOQIRWCDCQUSV-HUUCEWRRSA-N 2 2 336.505 1.874 20 0 EDADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000290292926 288873686 /nfs/dbraw/zinc/87/36/86/288873686.db2.gz YCPOKLYBHGQYBP-CVEARBPZSA-N 2 2 332.448 1.169 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000290499137 288907799 /nfs/dbraw/zinc/90/77/99/288907799.db2.gz VPERISYKKXQCMK-XHSDSOJGSA-N 2 2 349.479 1.139 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000292014283 289238765 /nfs/dbraw/zinc/23/87/65/289238765.db2.gz YNEJHOTXRHNLKU-UHFFFAOYSA-N 2 2 331.420 1.938 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000292175491 289281889 /nfs/dbraw/zinc/28/18/89/289281889.db2.gz PYYRTBKWURQDNC-VQIMIIECSA-N 2 2 329.444 1.828 20 0 EDADLP COc1ccccc1N1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000292175491 289281891 /nfs/dbraw/zinc/28/18/91/289281891.db2.gz PYYRTBKWURQDNC-VQIMIIECSA-N 2 2 329.444 1.828 20 0 EDADLP COc1ccccc1N1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000292175491 289281894 /nfs/dbraw/zinc/28/18/94/289281894.db2.gz PYYRTBKWURQDNC-VQIMIIECSA-N 2 2 329.444 1.828 20 0 EDADLP COc1ccccc1N1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000292175491 289281897 /nfs/dbraw/zinc/28/18/97/289281897.db2.gz PYYRTBKWURQDNC-VQIMIIECSA-N 2 2 329.444 1.828 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccsc1 ZINC000350033875 289356904 /nfs/dbraw/zinc/35/69/04/289356904.db2.gz OBKAGVGLTBDRGB-KFWWJZLASA-N 2 2 338.477 1.075 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccsc1 ZINC000350033875 289356907 /nfs/dbraw/zinc/35/69/07/289356907.db2.gz OBKAGVGLTBDRGB-KFWWJZLASA-N 2 2 338.477 1.075 20 0 EDADLP C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333634399 290290166 /nfs/dbraw/zinc/29/01/66/290290166.db2.gz BHIQSOPSUVEMBL-GDBMZVCRSA-N 2 2 333.484 1.219 20 0 EDADLP C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000333634399 290290167 /nfs/dbraw/zinc/29/01/67/290290167.db2.gz BHIQSOPSUVEMBL-GDBMZVCRSA-N 2 2 333.484 1.219 20 0 EDADLP CO[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000359225517 294549509 /nfs/dbraw/zinc/54/95/09/294549509.db2.gz LXBHLEKTYHHWED-ROUUACIJSA-N 2 2 347.459 1.097 20 0 EDADLP [NH3+][C@@H](C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCOCC1 ZINC000261840085 295293147 /nfs/dbraw/zinc/29/31/47/295293147.db2.gz QNMDYQPTAIWFCC-CQSZACIVSA-N 2 2 338.477 1.821 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cc1F ZINC000418692366 304528480 /nfs/dbraw/zinc/52/84/80/304528480.db2.gz FPGLLAHFFNJTLQ-STQMWFEESA-N 2 2 338.427 1.397 20 0 EDADLP CC1(C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000377709427 447308132 /nfs/dbraw/zinc/30/81/32/447308132.db2.gz USLBAFAFGNFDOP-UHFFFAOYSA-N 2 2 346.475 1.621 20 0 EDADLP CC1(C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCO1 ZINC000377709427 447308138 /nfs/dbraw/zinc/30/81/38/447308138.db2.gz USLBAFAFGNFDOP-UHFFFAOYSA-N 2 2 346.475 1.621 20 0 EDADLP CCC[C@](C)(O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015647 447308782 /nfs/dbraw/zinc/30/87/82/447308782.db2.gz HGWSNBKMWZDIOX-SFHVURJKSA-N 2 2 325.497 1.556 20 0 EDADLP CCC[C@](C)(O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015647 447308786 /nfs/dbraw/zinc/30/87/86/447308786.db2.gz HGWSNBKMWZDIOX-SFHVURJKSA-N 2 2 325.497 1.556 20 0 EDADLP [NH3+]C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CCCCC1 ZINC000419966697 304718267 /nfs/dbraw/zinc/71/82/67/304718267.db2.gz LSSWSWCQWIPEIX-HUUCEWRRSA-N 2 2 347.463 1.487 20 0 EDADLP Cc1cc(NC(=O)N(C)C[C@H](O)C[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000415465621 301350087 /nfs/dbraw/zinc/35/00/87/301350087.db2.gz SIHXHMNBFHBBQI-DZGCQCFKSA-N 2 2 335.452 1.552 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000420371562 304752595 /nfs/dbraw/zinc/75/25/95/304752595.db2.gz XEWDAZAVKROHSB-LBPRGKRZSA-N 2 2 329.347 1.910 20 0 EDADLP COCCSc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653086573 453268597 /nfs/dbraw/zinc/26/85/97/453268597.db2.gz WLELBPGYVRIFNY-XJKSGUPXSA-N 2 2 339.505 1.881 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(N)[nH+]c1)C1CCCCC1 ZINC000414698214 447317125 /nfs/dbraw/zinc/31/71/25/447317125.db2.gz HTBNWPYPISUWFQ-CQSZACIVSA-N 2 2 333.436 1.229 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N)[nH+]c1 ZINC000414721218 447319808 /nfs/dbraw/zinc/31/98/08/447319808.db2.gz BGQSHSXSKOKQTK-UHFFFAOYSA-N 2 2 341.415 1.193 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000343559231 303082562 /nfs/dbraw/zinc/08/25/62/303082562.db2.gz BZFATUDYCSZEAU-SOLBZPMBSA-N 2 2 334.464 1.152 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000343559231 303082563 /nfs/dbraw/zinc/08/25/63/303082563.db2.gz BZFATUDYCSZEAU-SOLBZPMBSA-N 2 2 334.464 1.152 20 0 EDADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](CO)c1ccccc1 ZINC000295107005 303174258 /nfs/dbraw/zinc/17/42/58/303174258.db2.gz ULFRBEPEECYIDI-SFHVURJKSA-N 2 2 341.459 1.394 20 0 EDADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](CO)c1ccccc1 ZINC000295107005 303174259 /nfs/dbraw/zinc/17/42/59/303174259.db2.gz ULFRBEPEECYIDI-SFHVURJKSA-N 2 2 341.459 1.394 20 0 EDADLP CCC[N@@H+](C)CC(C)(C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000664758746 453382888 /nfs/dbraw/zinc/38/28/88/453382888.db2.gz GAAAGWLISACUGR-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295911280 303282614 /nfs/dbraw/zinc/28/26/14/303282614.db2.gz IXXPSQWVEIGVNA-OAHLLOKOSA-N 2 2 332.448 1.613 20 0 EDADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000295911280 303282616 /nfs/dbraw/zinc/28/26/16/303282616.db2.gz IXXPSQWVEIGVNA-OAHLLOKOSA-N 2 2 332.448 1.613 20 0 EDADLP Cc1cc(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)cn2cc[nH+]c12 ZINC000297118619 303361614 /nfs/dbraw/zinc/36/16/14/303361614.db2.gz XSWWLPSOVRHZKX-UHFFFAOYSA-N 2 2 344.419 1.056 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000297362658 303390317 /nfs/dbraw/zinc/39/03/17/303390317.db2.gz INVCQBPKIWXNFJ-SFHVURJKSA-N 2 2 342.443 1.251 20 0 EDADLP O=C(CC[C@H]1CC[NH2+]C1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261920191 303590255 /nfs/dbraw/zinc/59/02/55/303590255.db2.gz XNUHLZBYOAMVLT-FUHWJXTLSA-N 2 2 331.460 1.566 20 0 EDADLP C[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1[NH+]1CCOCC1 ZINC000302870473 303738958 /nfs/dbraw/zinc/73/89/58/303738958.db2.gz BICCSVMWRGWWHB-CABCVRRESA-N 2 2 349.504 1.187 20 0 EDADLP CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CCCC[NH2+]1 ZINC000422996164 304882478 /nfs/dbraw/zinc/88/24/78/304882478.db2.gz LBVJDJBVGPHWIE-KGLIPLIRSA-N 2 2 345.534 1.845 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428032163 305004504 /nfs/dbraw/zinc/00/45/04/305004504.db2.gz JFRPHMNWUOMHCK-QZTJIDSGSA-N 2 2 331.460 1.523 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428032163 305004505 /nfs/dbraw/zinc/00/45/05/305004505.db2.gz JFRPHMNWUOMHCK-QZTJIDSGSA-N 2 2 331.460 1.523 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428048498 305005698 /nfs/dbraw/zinc/00/56/98/305005698.db2.gz JDQBKADOKNVOOU-ZBFHGGJFSA-N 2 2 335.423 1.347 20 0 EDADLP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428048498 305005699 /nfs/dbraw/zinc/00/56/99/305005699.db2.gz JDQBKADOKNVOOU-ZBFHGGJFSA-N 2 2 335.423 1.347 20 0 EDADLP CCOc1ccc([C@@H](C)NC(=O)C[NH+]2CCC([NH3+])CC2)cc1OC ZINC000429677065 305034689 /nfs/dbraw/zinc/03/46/89/305034689.db2.gz VAMADQUOJUIFLD-CYBMUJFWSA-N 2 2 335.448 1.694 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000430572718 305056641 /nfs/dbraw/zinc/05/66/41/305056641.db2.gz GFRVGLCSCMBOLT-MRXNPFEDSA-N 2 2 327.419 1.929 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000430572718 305056642 /nfs/dbraw/zinc/05/66/42/305056642.db2.gz GFRVGLCSCMBOLT-MRXNPFEDSA-N 2 2 327.419 1.929 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000430581381 305057032 /nfs/dbraw/zinc/05/70/32/305057032.db2.gz OHEMYZDSBNFXAY-SFHVURJKSA-N 2 2 332.448 1.715 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)c1 ZINC000430596213 305057735 /nfs/dbraw/zinc/05/77/35/305057735.db2.gz JBIQSGYZMNTZOZ-IBGZPJMESA-N 2 2 333.476 1.858 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000430616718 305059158 /nfs/dbraw/zinc/05/91/58/305059158.db2.gz HETAVNINXPSLFW-CYBMUJFWSA-N 2 2 334.420 1.275 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000430616718 305059159 /nfs/dbraw/zinc/05/91/59/305059159.db2.gz HETAVNINXPSLFW-CYBMUJFWSA-N 2 2 334.420 1.275 20 0 EDADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000430620136 305059673 /nfs/dbraw/zinc/05/96/73/305059673.db2.gz BWORIUVADYSHBZ-GFCCVEGCSA-N 2 2 348.838 1.530 20 0 EDADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000430620136 305059674 /nfs/dbraw/zinc/05/96/74/305059674.db2.gz BWORIUVADYSHBZ-GFCCVEGCSA-N 2 2 348.838 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430633699 305060307 /nfs/dbraw/zinc/06/03/07/305060307.db2.gz AMJYRNUVEKIOII-LSDHHAIUSA-N 2 2 344.459 1.811 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430633699 305060308 /nfs/dbraw/zinc/06/03/08/305060308.db2.gz AMJYRNUVEKIOII-LSDHHAIUSA-N 2 2 344.459 1.811 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430718588 305063168 /nfs/dbraw/zinc/06/31/68/305063168.db2.gz GXXUVEVPDADWIV-QGZVFWFLSA-N 2 2 347.459 1.456 20 0 EDADLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000430952396 305070510 /nfs/dbraw/zinc/07/05/10/305070510.db2.gz PUJCKIPHWMQUDF-AWEZNQCLSA-N 2 2 335.448 1.964 20 0 EDADLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000430952396 305070511 /nfs/dbraw/zinc/07/05/11/305070511.db2.gz PUJCKIPHWMQUDF-AWEZNQCLSA-N 2 2 335.448 1.964 20 0 EDADLP C[C@H](C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000431010700 305072737 /nfs/dbraw/zinc/07/27/37/305072737.db2.gz RALPDMIURGVLCR-MAUKXSAKSA-N 2 2 341.459 1.400 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)CC3CC[NH2+]CC3)CCCC2)no1 ZINC000431036079 305073299 /nfs/dbraw/zinc/07/32/99/305073299.db2.gz DLEGZMCFNVAYMY-UHFFFAOYSA-N 2 2 335.452 1.406 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cc2nc(C(C)(C)[NH3+])no2)C[C@H](C)O1 ZINC000431066472 305074009 /nfs/dbraw/zinc/07/40/09/305074009.db2.gz NNMNVGDNMAAXPF-MJBXVCDLSA-N 2 2 337.468 1.337 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2nc(C(C)(C)[NH3+])no2)C[C@H](C)O1 ZINC000431066472 305074010 /nfs/dbraw/zinc/07/40/10/305074010.db2.gz NNMNVGDNMAAXPF-MJBXVCDLSA-N 2 2 337.468 1.337 20 0 EDADLP CC(C)[C@H](C[NH3+])C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000433176188 305102270 /nfs/dbraw/zinc/10/22/70/305102270.db2.gz RRTIQCRJXMKHLE-HKUYNNGSSA-N 2 2 347.503 1.967 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000434092620 305117741 /nfs/dbraw/zinc/11/77/41/305117741.db2.gz QNJVTQPQCVPJGZ-IRXDYDNUSA-N 2 2 340.512 1.469 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434427313 305122395 /nfs/dbraw/zinc/12/23/95/305122395.db2.gz ZXYYYBRAIAJNET-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434427313 305122396 /nfs/dbraw/zinc/12/23/96/305122396.db2.gz ZXYYYBRAIAJNET-NVXWUHKLSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000434697783 305128037 /nfs/dbraw/zinc/12/80/37/305128037.db2.gz RLYUUXLRFNWKQC-RYUDHWBXSA-N 2 2 328.420 1.742 20 0 EDADLP C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000435060004 305135773 /nfs/dbraw/zinc/13/57/73/305135773.db2.gz ZRKASJMEMJWSHS-HNNXBMFYSA-N 2 2 346.479 1.066 20 0 EDADLP CC(C)CNC(=O)CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435695864 305145466 /nfs/dbraw/zinc/14/54/66/305145466.db2.gz OEJPVUFTCNJKQM-HNNXBMFYSA-N 2 2 333.480 1.136 20 0 EDADLP CCn1cc[nH+]c1CN(CC(=O)NCC(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694971 305145596 /nfs/dbraw/zinc/14/55/96/305145596.db2.gz MULYEJWSLTZNQT-MRXNPFEDSA-N 2 2 347.507 1.619 20 0 EDADLP O=C(CC[NH2+]CC[C@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000438219314 305183477 /nfs/dbraw/zinc/18/34/77/305183477.db2.gz LKSCVIJPFSNFKP-INIZCTEOSA-N 2 2 332.448 1.137 20 0 EDADLP C[C@H](O)CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000438988873 305192407 /nfs/dbraw/zinc/19/24/07/305192407.db2.gz XPDGIEYXEFBNAG-ROUUACIJSA-N 2 2 332.492 1.687 20 0 EDADLP C[C@H](O)CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000438988873 305192408 /nfs/dbraw/zinc/19/24/08/305192408.db2.gz XPDGIEYXEFBNAG-ROUUACIJSA-N 2 2 332.492 1.687 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000440692419 305211222 /nfs/dbraw/zinc/21/12/22/305211222.db2.gz KTJZLXTXFPXQGM-JKSUJKDBSA-N 2 2 340.512 1.022 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000440692419 305211223 /nfs/dbraw/zinc/21/12/23/305211223.db2.gz KTJZLXTXFPXQGM-JKSUJKDBSA-N 2 2 340.512 1.022 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000440692419 305211224 /nfs/dbraw/zinc/21/12/24/305211224.db2.gz KTJZLXTXFPXQGM-JKSUJKDBSA-N 2 2 340.512 1.022 20 0 EDADLP CCN(CC(=O)NC(C)C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000440692419 305211225 /nfs/dbraw/zinc/21/12/25/305211225.db2.gz KTJZLXTXFPXQGM-JKSUJKDBSA-N 2 2 340.512 1.022 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@@H]1C ZINC000441088079 305217160 /nfs/dbraw/zinc/21/71/60/305217160.db2.gz INRVKRAUDGPGTQ-UONOGXRCSA-N 2 2 343.431 1.522 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@@H]1C ZINC000441088079 305217161 /nfs/dbraw/zinc/21/71/61/305217161.db2.gz INRVKRAUDGPGTQ-UONOGXRCSA-N 2 2 343.431 1.522 20 0 EDADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H](C)C1 ZINC000441329534 305221050 /nfs/dbraw/zinc/22/10/50/305221050.db2.gz FJJSMFBLGUSOPA-HZPDHXFCSA-N 2 2 335.448 1.423 20 0 EDADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)[C@H](C)C1 ZINC000441329534 305221051 /nfs/dbraw/zinc/22/10/51/305221051.db2.gz FJJSMFBLGUSOPA-HZPDHXFCSA-N 2 2 335.448 1.423 20 0 EDADLP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000447829086 305286588 /nfs/dbraw/zinc/28/65/88/305286588.db2.gz RRVQFPXJHDIFCK-SJORKVTESA-N 2 2 349.475 1.549 20 0 EDADLP C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000447829086 305286589 /nfs/dbraw/zinc/28/65/89/305286589.db2.gz RRVQFPXJHDIFCK-SJORKVTESA-N 2 2 349.475 1.549 20 0 EDADLP COc1ccc(-n2cc(C[NH2+]C[C@H](C)C[NH+]3CCOCC3)cn2)cc1 ZINC000449162630 305308535 /nfs/dbraw/zinc/30/85/35/305308535.db2.gz JWHVPZOFRFMGDP-INIZCTEOSA-N 2 2 344.459 1.939 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+](CCC(N)=O)[C@H]1CCOc2ccccc21)C1CC1 ZINC000451706411 305363354 /nfs/dbraw/zinc/36/33/54/305363354.db2.gz GKLFNKKMGDHOEJ-RDJZCZTQSA-N 2 2 347.459 1.143 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+](CCC(N)=O)[C@H]1CCOc2ccccc21)C1CC1 ZINC000451706411 305363355 /nfs/dbraw/zinc/36/33/55/305363355.db2.gz GKLFNKKMGDHOEJ-RDJZCZTQSA-N 2 2 347.459 1.143 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+](CCC(N)=O)[C@H]1CCOc2ccccc21)C1CC1 ZINC000451706411 305363356 /nfs/dbraw/zinc/36/33/56/305363356.db2.gz GKLFNKKMGDHOEJ-RDJZCZTQSA-N 2 2 347.459 1.143 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+](CCC(N)=O)[C@H]1CCOc2ccccc21)C1CC1 ZINC000451706411 305363357 /nfs/dbraw/zinc/36/33/57/305363357.db2.gz GKLFNKKMGDHOEJ-RDJZCZTQSA-N 2 2 347.459 1.143 20 0 EDADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000451947064 305373207 /nfs/dbraw/zinc/37/32/07/305373207.db2.gz NXTLKGLGZQPAHX-GUDVDZBRSA-N 2 2 334.460 1.671 20 0 EDADLP CCO[C@@H]1COC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000451947064 305373208 /nfs/dbraw/zinc/37/32/08/305373208.db2.gz NXTLKGLGZQPAHX-GUDVDZBRSA-N 2 2 334.460 1.671 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cccc(Cn2cc[nH+]c2)c1 ZINC000452348423 305391121 /nfs/dbraw/zinc/39/11/21/305391121.db2.gz AFNURVHWLZZZTK-GOSISDBHSA-N 2 2 342.443 1.508 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cccc(Cn2cc[nH+]c2)c1 ZINC000452348423 305391122 /nfs/dbraw/zinc/39/11/22/305391122.db2.gz AFNURVHWLZZZTK-GOSISDBHSA-N 2 2 342.443 1.508 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000517224751 305749777 /nfs/dbraw/zinc/74/97/77/305749777.db2.gz QLJGDDHEGVRMRJ-NUEKZKHPSA-N 2 2 331.464 1.531 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C[C@H]1[NH+](C)C ZINC000518214695 305760124 /nfs/dbraw/zinc/76/01/24/305760124.db2.gz YRVNPLGCBVIJNQ-IJLUTSLNSA-N 2 2 332.370 1.865 20 0 EDADLP CCOC(=O)CC[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000518757919 305763518 /nfs/dbraw/zinc/76/35/18/305763518.db2.gz NXMBETFZNHBGKS-YJBOKZPZSA-N 2 2 349.475 1.901 20 0 EDADLP C[NH2+]CCCN(C)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000519825597 305775925 /nfs/dbraw/zinc/77/59/25/305775925.db2.gz MLOUKWQDRAXONR-UHFFFAOYSA-N 2 2 343.431 1.593 20 0 EDADLP COCCC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000528576292 305878894 /nfs/dbraw/zinc/87/88/94/305878894.db2.gz MMRAUJYRMOWLLJ-UHFFFAOYSA-N 2 2 349.475 1.672 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000529374487 305911211 /nfs/dbraw/zinc/91/12/11/305911211.db2.gz DLASFWBISWORGI-OAHLLOKOSA-N 2 2 347.463 1.097 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000377808130 447365981 /nfs/dbraw/zinc/36/59/81/447365981.db2.gz WPDVDRVRMGYRSU-RDJZCZTQSA-N 2 2 334.464 1.570 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ncnc4n[nH]cc43)CC2)CC1 ZINC000533227336 305997003 /nfs/dbraw/zinc/99/70/03/305997003.db2.gz PNKKLDAAQRDMKK-UHFFFAOYSA-N 2 2 329.452 1.348 20 0 EDADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H](C)S1 ZINC000535429440 306013583 /nfs/dbraw/zinc/01/35/83/306013583.db2.gz DMODMLQVVAUOLB-ZIAGYGMSSA-N 2 2 328.526 1.548 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068428 306019414 /nfs/dbraw/zinc/01/94/14/306019414.db2.gz DVVUOPUWVHGYIL-STQMWFEESA-N 2 2 342.399 1.965 20 0 EDADLP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068428 306019415 /nfs/dbraw/zinc/01/94/15/306019415.db2.gz DVVUOPUWVHGYIL-STQMWFEESA-N 2 2 342.399 1.965 20 0 EDADLP Cc1cc(NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)c[nH+]1 ZINC000536619456 306024092 /nfs/dbraw/zinc/02/40/92/306024092.db2.gz FADXQFIBQPVIHG-INIZCTEOSA-N 2 2 349.479 1.334 20 0 EDADLP CC(C)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH+]1CCOCC1 ZINC000540848821 306040819 /nfs/dbraw/zinc/04/08/19/306040819.db2.gz GYJCHSUNEFFQMD-QGZVFWFLSA-N 2 2 334.464 1.235 20 0 EDADLP O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543396124 306063430 /nfs/dbraw/zinc/06/34/30/306063430.db2.gz DVSKHMBAXYMGSB-CYBMUJFWSA-N 2 2 331.445 1.923 20 0 EDADLP O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000543396124 306063431 /nfs/dbraw/zinc/06/34/31/306063431.db2.gz DVSKHMBAXYMGSB-CYBMUJFWSA-N 2 2 331.445 1.923 20 0 EDADLP Cc1cnc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(O)c1 ZINC000547650433 306106422 /nfs/dbraw/zinc/10/64/22/306106422.db2.gz SHNIJQRPEKELDK-UHFFFAOYSA-N 2 2 327.388 1.495 20 0 EDADLP CCN1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000547693418 306108695 /nfs/dbraw/zinc/10/86/95/306108695.db2.gz DOHNHEABFZGTJV-HOTGVXAUSA-N 2 2 331.464 1.489 20 0 EDADLP CC[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1[nH]cc[nH+]1 ZINC000547750470 306110563 /nfs/dbraw/zinc/11/05/63/306110563.db2.gz UBTMKSKKGHGQCK-CQSZACIVSA-N 2 2 330.436 1.623 20 0 EDADLP COc1ccc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000548691184 306135287 /nfs/dbraw/zinc/13/52/87/306135287.db2.gz IYGVGVKWYDUQJX-AWEZNQCLSA-N 2 2 329.404 1.105 20 0 EDADLP O=C1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[C@H](C2CC2)N1 ZINC000551416509 306157991 /nfs/dbraw/zinc/15/79/91/306157991.db2.gz ODOMBKKIFHAJBO-HBFSDRIKSA-N 2 2 343.471 1.052 20 0 EDADLP O=C1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)[C@H](C2CC2)N1 ZINC000551416509 306157992 /nfs/dbraw/zinc/15/79/92/306157992.db2.gz ODOMBKKIFHAJBO-HBFSDRIKSA-N 2 2 343.471 1.052 20 0 EDADLP Cc1ncc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000552067896 306174757 /nfs/dbraw/zinc/17/47/57/306174757.db2.gz YXNNGTVUXDETRB-HZPDHXFCSA-N 2 2 348.491 1.875 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)c1ccc2c(c1)OCCO2 ZINC000555880924 306206782 /nfs/dbraw/zinc/20/67/82/306206782.db2.gz ZQFDYEQRCSSNQE-CVEARBPZSA-N 2 2 338.448 1.438 20 0 EDADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)c1ccc2c(c1)OCCO2 ZINC000555880924 306206783 /nfs/dbraw/zinc/20/67/83/306206783.db2.gz ZQFDYEQRCSSNQE-CVEARBPZSA-N 2 2 338.448 1.438 20 0 EDADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC000556853945 306220514 /nfs/dbraw/zinc/22/05/14/306220514.db2.gz HCJIRJVRHYDYEA-NUJGCVRESA-N 2 2 348.491 1.110 20 0 EDADLP CCC1(CC)[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])[C@H](C)[C@H]1OC ZINC000557185441 306225750 /nfs/dbraw/zinc/22/57/50/306225750.db2.gz CUEAZJRGEBTTDA-BYNSBNAKSA-N 2 2 326.485 1.110 20 0 EDADLP CCC1(CC)[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])[C@H](C)[C@H]1OC ZINC000557185441 306225751 /nfs/dbraw/zinc/22/57/51/306225751.db2.gz CUEAZJRGEBTTDA-BYNSBNAKSA-N 2 2 326.485 1.110 20 0 EDADLP CC1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000377845722 447377744 /nfs/dbraw/zinc/37/77/44/447377744.db2.gz VBGVSLHSOGUYHA-GOSISDBHSA-N 2 2 330.476 1.894 20 0 EDADLP CC1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000377845722 447377750 /nfs/dbraw/zinc/37/77/50/447377750.db2.gz VBGVSLHSOGUYHA-GOSISDBHSA-N 2 2 330.476 1.894 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)n2c1 ZINC000414966038 447377340 /nfs/dbraw/zinc/37/73/40/447377340.db2.gz DHONMHDUTREFJX-AWEZNQCLSA-N 3 2 341.381 1.568 20 0 EDADLP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cn1 ZINC000414983122 447383667 /nfs/dbraw/zinc/38/36/67/447383667.db2.gz ZYDGPWCUUQLJFQ-SFHVURJKSA-N 2 2 325.460 1.843 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)/C=C/c3[nH]cc[nH+]3)cc2)CC1 ZINC000493738175 447382647 /nfs/dbraw/zinc/38/26/47/447382647.db2.gz ITDQUJSMSOZBAK-VOTSOKGWSA-N 2 2 339.399 1.449 20 0 EDADLP CCOC[C@H](C)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422178594 447390042 /nfs/dbraw/zinc/39/00/42/447390042.db2.gz JKZBHIUNPXEITD-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP CCOC[C@H](C)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422178594 447390047 /nfs/dbraw/zinc/39/00/47/447390047.db2.gz JKZBHIUNPXEITD-INIZCTEOSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@@H](NC(=O)C(=O)Nc1ccc(N)[nH+]c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000415156912 447393632 /nfs/dbraw/zinc/39/36/32/447393632.db2.gz MZBHFGLEANURJI-WBMJQRKESA-N 2 2 341.415 1.410 20 0 EDADLP CC(C)c1nc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc(N(C)C)n1 ZINC000378363502 447422375 /nfs/dbraw/zinc/42/23/75/447422375.db2.gz LSKYMICEOCMRNV-AWEZNQCLSA-N 2 2 347.511 1.641 20 0 EDADLP CC(C)c1nc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc(N(C)C)n1 ZINC000378363502 447422382 /nfs/dbraw/zinc/42/23/82/447422382.db2.gz LSKYMICEOCMRNV-AWEZNQCLSA-N 2 2 347.511 1.641 20 0 EDADLP COC[C@@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000458590505 447423931 /nfs/dbraw/zinc/42/39/31/447423931.db2.gz KUXQZAWBVUJEBF-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000045410284 440982407 /nfs/dbraw/zinc/98/24/07/440982407.db2.gz HPTYHLWRQXRLLR-UHFFFAOYSA-N 2 2 332.448 1.734 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000080489976 441174076 /nfs/dbraw/zinc/17/40/76/441174076.db2.gz NFMRQCQJSJXCND-MRXNPFEDSA-N 2 2 346.475 1.912 20 0 EDADLP C[C@H](C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[NH+](C)CC1 ZINC000101645933 441159928 /nfs/dbraw/zinc/15/99/28/441159928.db2.gz ZAZOHSGRQIHKEW-MRXNPFEDSA-N 2 2 345.491 1.324 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NCCCn1cc[nH+]c1)Cc1ccccc1 ZINC000072488849 441233228 /nfs/dbraw/zinc/23/32/28/441233228.db2.gz BGGJXLXQYDWCOO-QGZVFWFLSA-N 2 2 329.448 1.745 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC(=O)NCc1cccs1 ZINC000080960171 441212452 /nfs/dbraw/zinc/21/24/52/441212452.db2.gz NNLZOWFTCDWEQV-GFCCVEGCSA-N 2 2 347.444 1.677 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC(=O)NCc1cccs1 ZINC000080960171 441212459 /nfs/dbraw/zinc/21/24/59/441212459.db2.gz NNLZOWFTCDWEQV-GFCCVEGCSA-N 2 2 347.444 1.677 20 0 EDADLP O=C(C[N@@H+]1CCc2sccc2C1)NCCCC[NH+]1CCOCC1 ZINC000058808254 441213265 /nfs/dbraw/zinc/21/32/65/441213265.db2.gz SPHALPDCLCOVHE-UHFFFAOYSA-N 2 2 337.489 1.335 20 0 EDADLP O=C(C[N@H+]1CCc2sccc2C1)NCCCC[NH+]1CCOCC1 ZINC000058808254 441213268 /nfs/dbraw/zinc/21/32/68/441213268.db2.gz SPHALPDCLCOVHE-UHFFFAOYSA-N 2 2 337.489 1.335 20 0 EDADLP CC[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000047978755 441245573 /nfs/dbraw/zinc/24/55/73/441245573.db2.gz UGEFWFNXRAKYOZ-UHFFFAOYSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@@H](NC(=O)N1CC[NH+](C2CCCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105301835 441249696 /nfs/dbraw/zinc/24/96/96/441249696.db2.gz LYVHFHDLRYLRDS-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](CO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000072801471 441260810 /nfs/dbraw/zinc/26/08/10/441260810.db2.gz QFAKWKCLXBBJIF-HNNXBMFYSA-N 2 2 337.489 1.097 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](CO)C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000072801471 441260814 /nfs/dbraw/zinc/26/08/14/441260814.db2.gz QFAKWKCLXBBJIF-HNNXBMFYSA-N 2 2 337.489 1.097 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061858764 441291074 /nfs/dbraw/zinc/29/10/74/441291074.db2.gz AGEGWIDPURBRAH-UHFFFAOYSA-N 2 2 327.432 1.757 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[N@H+](C2CC2)CC1 ZINC000061858764 441291077 /nfs/dbraw/zinc/29/10/77/441291077.db2.gz AGEGWIDPURBRAH-UHFFFAOYSA-N 2 2 327.432 1.757 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000106028498 441322756 /nfs/dbraw/zinc/32/27/56/441322756.db2.gz DIVFVYVYQYMFAT-UHFFFAOYSA-N 2 2 341.459 1.196 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000106028498 441322758 /nfs/dbraw/zinc/32/27/58/441322758.db2.gz DIVFVYVYQYMFAT-UHFFFAOYSA-N 2 2 341.459 1.196 20 0 EDADLP CN(CC(F)(F)F)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876618 441303592 /nfs/dbraw/zinc/30/35/92/441303592.db2.gz BMLJIJWGWKSPOM-UHFFFAOYSA-N 2 2 332.370 1.695 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](CCO)CC2CC2)CC1 ZINC000064516192 441382855 /nfs/dbraw/zinc/38/28/55/441382855.db2.gz SYKWLDNQEVRRDD-UHFFFAOYSA-N 2 2 345.487 1.344 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](CCO)CC2CC2)CC1 ZINC000064516192 441382858 /nfs/dbraw/zinc/38/28/58/441382858.db2.gz SYKWLDNQEVRRDD-UHFFFAOYSA-N 2 2 345.487 1.344 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3CCOC3)CC2)c1 ZINC000106882453 441383807 /nfs/dbraw/zinc/38/38/07/441383807.db2.gz BSWWMMAIEZKBCF-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3CCOC3)CC2)c1 ZINC000106882453 441383811 /nfs/dbraw/zinc/38/38/11/441383811.db2.gz BSWWMMAIEZKBCF-SFHVURJKSA-N 2 2 331.460 1.360 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000073776429 441352743 /nfs/dbraw/zinc/35/27/43/441352743.db2.gz ZBAZRMIEIYVJQV-QGZVFWFLSA-N 2 2 349.479 1.478 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CC1 ZINC000052608254 441464060 /nfs/dbraw/zinc/46/40/60/441464060.db2.gz NGUUBLXYKIJPSK-UHFFFAOYSA-N 2 2 329.444 1.360 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C1CC1 ZINC000052608254 441464062 /nfs/dbraw/zinc/46/40/62/441464062.db2.gz NGUUBLXYKIJPSK-UHFFFAOYSA-N 2 2 329.444 1.360 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000088671934 441517535 /nfs/dbraw/zinc/51/75/35/441517535.db2.gz PFMBMRWZZLZKPY-HOCLYGCPSA-N 2 2 325.478 1.036 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCNS(C)(=O)=O ZINC000088671934 441517539 /nfs/dbraw/zinc/51/75/39/441517539.db2.gz PFMBMRWZZLZKPY-HOCLYGCPSA-N 2 2 325.478 1.036 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109706372 441502763 /nfs/dbraw/zinc/50/27/63/441502763.db2.gz QKYNMMIOTYJBHX-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109706372 441502767 /nfs/dbraw/zinc/50/27/67/441502767.db2.gz QKYNMMIOTYJBHX-LSDHHAIUSA-N 2 2 326.485 1.221 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109752511 441504542 /nfs/dbraw/zinc/50/45/42/441504542.db2.gz GDIOLKWHZZOBBV-MSOLQXFVSA-N 2 2 338.540 1.783 20 0 EDADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109752511 441504546 /nfs/dbraw/zinc/50/45/46/441504546.db2.gz GDIOLKWHZZOBBV-MSOLQXFVSA-N 2 2 338.540 1.783 20 0 EDADLP CC(C)[C@@H](C(=O)NCCCCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066921417 441587082 /nfs/dbraw/zinc/58/70/82/441587082.db2.gz IQQYNNBWLKVSOM-BBWFWOEESA-N 2 2 336.480 1.913 20 0 EDADLP CC(C)[C@@H](C(=O)NCCCCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066921417 441587085 /nfs/dbraw/zinc/58/70/85/441587085.db2.gz IQQYNNBWLKVSOM-BBWFWOEESA-N 2 2 336.480 1.913 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000089926774 441596890 /nfs/dbraw/zinc/59/68/90/441596890.db2.gz FSVKQCKIKMPVEN-CQSZACIVSA-N 2 2 334.395 1.121 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000089928665 441597782 /nfs/dbraw/zinc/59/77/82/441597782.db2.gz PDUZJSLFIPRAMR-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@H](O)[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000089928665 441597785 /nfs/dbraw/zinc/59/77/85/441597785.db2.gz PDUZJSLFIPRAMR-IRXDYDNUSA-N 2 2 346.475 1.213 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000090181624 441625322 /nfs/dbraw/zinc/62/53/22/441625322.db2.gz YGGCOXOCGOKULG-KYJSFNMBSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000090181624 441625325 /nfs/dbraw/zinc/62/53/25/441625325.db2.gz YGGCOXOCGOKULG-KYJSFNMBSA-N 2 2 328.460 1.645 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)NCc3[nH]cc[nH+]3)cc2F)CC1 ZINC000114335357 441645788 /nfs/dbraw/zinc/64/57/88/441645788.db2.gz WSHCHXPGQWFHGA-UHFFFAOYSA-N 2 2 331.395 1.621 20 0 EDADLP Cn1cc([C@@H](CO)[NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000090885421 441646204 /nfs/dbraw/zinc/64/62/04/441646204.db2.gz ZMHWHMLYZQUCLJ-GOSISDBHSA-N 2 2 332.423 1.847 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076608415 441666140 /nfs/dbraw/zinc/66/61/40/441666140.db2.gz ICVZEEOUNQIEDK-MRXNPFEDSA-N 2 2 331.460 1.619 20 0 EDADLP C[C@@H]1COCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076608415 441666144 /nfs/dbraw/zinc/66/61/44/441666144.db2.gz ICVZEEOUNQIEDK-MRXNPFEDSA-N 2 2 331.460 1.619 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2COc3ccc(F)cc3C2)CC1 ZINC000121440000 441704644 /nfs/dbraw/zinc/70/46/44/441704644.db2.gz MYHKFBAWDVWYHX-OAHLLOKOSA-N 2 2 349.450 1.519 20 0 EDADLP C[NH+]1CCN(C[C@H](NC(=O)CCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000068190908 441749950 /nfs/dbraw/zinc/74/99/50/441749950.db2.gz SANCTXKFWSJGPQ-SFHVURJKSA-N 2 2 341.459 1.378 20 0 EDADLP COc1cccc(C(=O)N2CC[NH+](CCn3cc[nH+]c3C)CC2)c1 ZINC000077120815 441720971 /nfs/dbraw/zinc/72/09/71/441720971.db2.gz XAHVWXDWRBSAOD-UHFFFAOYSA-N 2 2 328.416 1.658 20 0 EDADLP C[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000137720542 441777662 /nfs/dbraw/zinc/77/76/62/441777662.db2.gz DBPWNBNQCMJVHL-FHERZECASA-N 2 2 326.485 1.127 20 0 EDADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000116336409 441814622 /nfs/dbraw/zinc/81/46/22/441814622.db2.gz ACWCQHRLMFFGJL-KRWDZBQOSA-N 2 2 331.460 1.775 20 0 EDADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000116336409 441814627 /nfs/dbraw/zinc/81/46/27/441814627.db2.gz ACWCQHRLMFFGJL-KRWDZBQOSA-N 2 2 331.460 1.775 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173976693 441871745 /nfs/dbraw/zinc/87/17/45/441871745.db2.gz XIGWIJNXSWDQGV-HKUYNNGSSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173976693 441871749 /nfs/dbraw/zinc/87/17/49/441871749.db2.gz XIGWIJNXSWDQGV-HKUYNNGSSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173976693 441871752 /nfs/dbraw/zinc/87/17/52/441871752.db2.gz XIGWIJNXSWDQGV-HKUYNNGSSA-N 2 2 347.503 1.982 20 0 EDADLP COCCCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173976693 441871755 /nfs/dbraw/zinc/87/17/55/441871755.db2.gz XIGWIJNXSWDQGV-HKUYNNGSSA-N 2 2 347.503 1.982 20 0 EDADLP C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000121989053 441824328 /nfs/dbraw/zinc/82/43/28/441824328.db2.gz RJYDLFRSGJAXOG-KRWDZBQOSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000121989053 441824331 /nfs/dbraw/zinc/82/43/31/441824331.db2.gz RJYDLFRSGJAXOG-KRWDZBQOSA-N 2 2 332.492 1.261 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140034201 441832319 /nfs/dbraw/zinc/83/23/19/441832319.db2.gz HYUNYHAOOIZFAR-HIFRSBDPSA-N 2 2 331.416 1.770 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140034201 441832323 /nfs/dbraw/zinc/83/23/23/441832323.db2.gz HYUNYHAOOIZFAR-HIFRSBDPSA-N 2 2 331.416 1.770 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140034201 441832327 /nfs/dbraw/zinc/83/23/27/441832327.db2.gz HYUNYHAOOIZFAR-HIFRSBDPSA-N 2 2 331.416 1.770 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000140034201 441832329 /nfs/dbraw/zinc/83/23/29/441832329.db2.gz HYUNYHAOOIZFAR-HIFRSBDPSA-N 2 2 331.416 1.770 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118841485 441905597 /nfs/dbraw/zinc/90/55/97/441905597.db2.gz MGOHYJBUMXGSLT-AWEZNQCLSA-N 2 2 348.447 1.617 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118841485 441905602 /nfs/dbraw/zinc/90/56/02/441905602.db2.gz MGOHYJBUMXGSLT-AWEZNQCLSA-N 2 2 348.447 1.617 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118841485 441905606 /nfs/dbraw/zinc/90/56/06/441905606.db2.gz MGOHYJBUMXGSLT-AWEZNQCLSA-N 2 2 348.447 1.617 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118841485 441905611 /nfs/dbraw/zinc/90/56/11/441905611.db2.gz MGOHYJBUMXGSLT-AWEZNQCLSA-N 2 2 348.447 1.617 20 0 EDADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1O ZINC000093562754 441890229 /nfs/dbraw/zinc/89/02/29/441890229.db2.gz GORLITPIFQGBFT-UHFFFAOYSA-N 2 2 343.431 1.579 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H](C)C1 ZINC000093639289 441892112 /nfs/dbraw/zinc/89/21/12/441892112.db2.gz QZGHLOABWREZOV-AEFFLSMTSA-N 3 2 346.523 1.391 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H](C)C1 ZINC000093639289 441892113 /nfs/dbraw/zinc/89/21/13/441892113.db2.gz QZGHLOABWREZOV-AEFFLSMTSA-N 3 2 346.523 1.391 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H](C)C1 ZINC000093639289 441892114 /nfs/dbraw/zinc/89/21/14/441892114.db2.gz QZGHLOABWREZOV-AEFFLSMTSA-N 3 2 346.523 1.391 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H](C)C1 ZINC000093639289 441892115 /nfs/dbraw/zinc/89/21/15/441892115.db2.gz QZGHLOABWREZOV-AEFFLSMTSA-N 3 2 346.523 1.391 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000174862921 441976406 /nfs/dbraw/zinc/97/64/06/441976406.db2.gz GXPKTZAVXPNOFH-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000174862921 441976414 /nfs/dbraw/zinc/97/64/14/441976414.db2.gz GXPKTZAVXPNOFH-UHFFFAOYSA-N 2 2 349.479 1.449 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000174885188 441978762 /nfs/dbraw/zinc/97/87/62/441978762.db2.gz CXIABGZYBXLWPG-SFHVURJKSA-N 2 2 348.535 1.393 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)CC1 ZINC000174885188 441978767 /nfs/dbraw/zinc/97/87/67/441978767.db2.gz CXIABGZYBXLWPG-SFHVURJKSA-N 2 2 348.535 1.393 20 0 EDADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)Nc1ccccc1 ZINC000150854527 441963875 /nfs/dbraw/zinc/96/38/75/441963875.db2.gz KYMQGUDOUNQSFS-HNNXBMFYSA-N 2 2 330.432 1.752 20 0 EDADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)Nc1ccccc1 ZINC000150854527 441963881 /nfs/dbraw/zinc/96/38/81/441963881.db2.gz KYMQGUDOUNQSFS-HNNXBMFYSA-N 2 2 330.432 1.752 20 0 EDADLP CC[NH+]1CCC([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000125254309 442001411 /nfs/dbraw/zinc/00/14/11/442001411.db2.gz SLHVKCJALXADSU-UHFFFAOYSA-N 3 2 332.496 1.145 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000125254309 442001419 /nfs/dbraw/zinc/00/14/19/442001419.db2.gz SLHVKCJALXADSU-UHFFFAOYSA-N 3 2 332.496 1.145 20 0 EDADLP CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000151083615 442002631 /nfs/dbraw/zinc/00/26/31/442002631.db2.gz WHJQFTDXTOWIJC-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP CN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151083615 442002638 /nfs/dbraw/zinc/00/26/38/442002638.db2.gz WHJQFTDXTOWIJC-GOSISDBHSA-N 2 2 331.460 1.685 20 0 EDADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125256512 442003384 /nfs/dbraw/zinc/00/33/84/442003384.db2.gz ZPTGNINCKMOVTR-AWEZNQCLSA-N 2 2 333.436 1.074 20 0 EDADLP CC(C)[C@@H](CCO)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000161711483 442027170 /nfs/dbraw/zinc/02/71/70/442027170.db2.gz YATZIGGWWCCVTJ-MRXNPFEDSA-N 2 2 339.505 1.389 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CCCCO1 ZINC000125964072 442064920 /nfs/dbraw/zinc/06/49/20/442064920.db2.gz RLQWYVGALZTUAM-INIZCTEOSA-N 2 2 335.448 1.425 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CCCCO1 ZINC000125964072 442064926 /nfs/dbraw/zinc/06/49/26/442064926.db2.gz RLQWYVGALZTUAM-INIZCTEOSA-N 2 2 335.448 1.425 20 0 EDADLP O=C(NCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccco1 ZINC000163057311 442140745 /nfs/dbraw/zinc/14/07/45/442140745.db2.gz YDABSNYJGOLKEP-UHFFFAOYSA-N 2 2 349.354 1.645 20 0 EDADLP COC[C@@H](C)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176104250 442177258 /nfs/dbraw/zinc/17/72/58/442177258.db2.gz DUARMQLCQUDKPL-MRXNPFEDSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000176259151 442201347 /nfs/dbraw/zinc/20/13/47/442201347.db2.gz IYBJOYBNZQXYAF-ZACQAIPSSA-N 2 2 328.460 1.851 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000176259151 442201349 /nfs/dbraw/zinc/20/13/49/442201349.db2.gz IYBJOYBNZQXYAF-ZACQAIPSSA-N 2 2 328.460 1.851 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000121412673 442213984 /nfs/dbraw/zinc/21/39/84/442213984.db2.gz FJCNHZXJJCJRHM-KRWDZBQOSA-N 2 2 344.459 1.369 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH+](C)C2 ZINC000121412673 442213989 /nfs/dbraw/zinc/21/39/89/442213989.db2.gz FJCNHZXJJCJRHM-KRWDZBQOSA-N 2 2 344.459 1.369 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000121412673 442213991 /nfs/dbraw/zinc/21/39/91/442213991.db2.gz FJCNHZXJJCJRHM-KRWDZBQOSA-N 2 2 344.459 1.369 20 0 EDADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000121412673 442213995 /nfs/dbraw/zinc/21/39/95/442213995.db2.gz FJCNHZXJJCJRHM-KRWDZBQOSA-N 2 2 344.459 1.369 20 0 EDADLP O=C([C@H]1CCCn2cc[nH+]c21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000176360171 442214695 /nfs/dbraw/zinc/21/46/95/442214695.db2.gz MEWSOKBPZZUTRH-INIZCTEOSA-N 2 2 332.448 1.331 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000128566437 442275302 /nfs/dbraw/zinc/27/53/02/442275302.db2.gz WOYUMKAQKZCODV-HNNXBMFYSA-N 2 2 330.363 1.676 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000128566437 442275304 /nfs/dbraw/zinc/27/53/04/442275304.db2.gz WOYUMKAQKZCODV-HNNXBMFYSA-N 2 2 330.363 1.676 20 0 EDADLP CCOc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC000177112245 442298760 /nfs/dbraw/zinc/29/87/60/442298760.db2.gz OSEPOTNOIUIVMV-UHFFFAOYSA-N 2 2 349.475 1.850 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOc2ccc(C=O)cc2)CC1 ZINC000177128040 442301283 /nfs/dbraw/zinc/30/12/83/442301283.db2.gz AVAOISXHDBHNOS-UHFFFAOYSA-N 2 2 347.459 1.410 20 0 EDADLP CC[N@H+](CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C1CC1 ZINC000171157621 442320751 /nfs/dbraw/zinc/32/07/51/442320751.db2.gz XWHIRNDJNMWUGX-UHFFFAOYSA-N 2 2 347.463 1.202 20 0 EDADLP CC[N@@H+](CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)C1CC1 ZINC000171157621 442320752 /nfs/dbraw/zinc/32/07/52/442320752.db2.gz XWHIRNDJNMWUGX-UHFFFAOYSA-N 2 2 347.463 1.202 20 0 EDADLP c1cn(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cn2)c[nH+]1 ZINC000177277012 442324019 /nfs/dbraw/zinc/32/40/19/442324019.db2.gz ZPFFQNHNILBABS-UHFFFAOYSA-N 3 2 341.459 1.812 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000129632758 442325802 /nfs/dbraw/zinc/32/58/02/442325802.db2.gz SGHTUAKVDJJEKT-AEFFLSMTSA-N 3 2 347.507 1.755 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000129632758 442325803 /nfs/dbraw/zinc/32/58/03/442325803.db2.gz SGHTUAKVDJJEKT-AEFFLSMTSA-N 3 2 347.507 1.755 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000129648971 442326315 /nfs/dbraw/zinc/32/63/15/442326315.db2.gz GSXQJOQDGBICLT-HOCLYGCPSA-N 2 2 342.447 1.801 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000129659343 442327209 /nfs/dbraw/zinc/32/72/09/442327209.db2.gz RQHWGXSUFQNDGC-CEXWTWQISA-N 2 2 349.519 1.822 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000129659343 442327210 /nfs/dbraw/zinc/32/72/10/442327210.db2.gz RQHWGXSUFQNDGC-CEXWTWQISA-N 2 2 349.519 1.822 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171215935 442329557 /nfs/dbraw/zinc/32/95/57/442329557.db2.gz PIYDFHPOPDMYGC-CQSZACIVSA-N 2 2 337.468 1.238 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171215935 442329558 /nfs/dbraw/zinc/32/95/58/442329558.db2.gz PIYDFHPOPDMYGC-CQSZACIVSA-N 2 2 337.468 1.238 20 0 EDADLP CC(C)(CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000177348966 442330830 /nfs/dbraw/zinc/33/08/30/442330830.db2.gz SBEHJMDHFCDSGK-OAHLLOKOSA-N 2 2 335.452 1.168 20 0 EDADLP CN(CC[N@H+](C)CC(=O)NCc1cccs1)C1CC[NH+](C)CC1 ZINC000177372559 442333287 /nfs/dbraw/zinc/33/32/87/442333287.db2.gz NDWWUHVLWFNHQX-UHFFFAOYSA-N 2 2 338.521 1.322 20 0 EDADLP CN(CC[N@@H+](C)CC(=O)NCc1cccs1)C1CC[NH+](C)CC1 ZINC000177372559 442333291 /nfs/dbraw/zinc/33/32/91/442333291.db2.gz NDWWUHVLWFNHQX-UHFFFAOYSA-N 2 2 338.521 1.322 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NCc1cccs1 ZINC000177372559 442333294 /nfs/dbraw/zinc/33/32/94/442333294.db2.gz NDWWUHVLWFNHQX-UHFFFAOYSA-N 2 2 338.521 1.322 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NCc1cccs1 ZINC000177372559 442333296 /nfs/dbraw/zinc/33/32/96/442333296.db2.gz NDWWUHVLWFNHQX-UHFFFAOYSA-N 2 2 338.521 1.322 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177401919 442336915 /nfs/dbraw/zinc/33/69/15/442336915.db2.gz DFWRNSXOYJAYSE-MRXNPFEDSA-N 2 2 335.452 1.170 20 0 EDADLP C[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CC1 ZINC000171291724 442339378 /nfs/dbraw/zinc/33/93/78/442339378.db2.gz PAZZBYUKRBHIJN-UHFFFAOYSA-N 2 2 337.493 1.455 20 0 EDADLP C[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC1 ZINC000171291724 442339380 /nfs/dbraw/zinc/33/93/80/442339380.db2.gz PAZZBYUKRBHIJN-UHFFFAOYSA-N 2 2 337.493 1.455 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)C[C@H]3CC[NH2+]C3)CCCC2)no1 ZINC000130552737 442349749 /nfs/dbraw/zinc/34/97/49/442349749.db2.gz QCNRMRZEOJLIRM-CQSZACIVSA-N 2 2 349.479 1.797 20 0 EDADLP C[C@H](Oc1cccc(F)c1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177149544 442306225 /nfs/dbraw/zinc/30/62/25/442306225.db2.gz MNQIXGVLPPPDAF-AWEZNQCLSA-N 2 2 337.439 1.735 20 0 EDADLP CN1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000154034581 442317511 /nfs/dbraw/zinc/31/75/11/442317511.db2.gz YDCIOJPTJSAESL-MRXNPFEDSA-N 2 2 348.495 1.674 20 0 EDADLP CC(C)N1CCC[C@H]([NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000177715137 442375079 /nfs/dbraw/zinc/37/50/79/442375079.db2.gz CDKCMFYWIWLYQQ-ROUUACIJSA-N 2 2 336.524 1.488 20 0 EDADLP CC(C)N1CCC[C@H]([NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000177715137 442375081 /nfs/dbraw/zinc/37/50/81/442375081.db2.gz CDKCMFYWIWLYQQ-ROUUACIJSA-N 2 2 336.524 1.488 20 0 EDADLP CSC[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000132137706 442387686 /nfs/dbraw/zinc/38/76/86/442387686.db2.gz YTNLCHSNYOVQAH-CYBMUJFWSA-N 2 2 328.526 1.596 20 0 EDADLP COC[C@](C)(CCO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000132518174 442395323 /nfs/dbraw/zinc/39/53/23/442395323.db2.gz DDHPJTDIQWKXOW-YJBOKZPZSA-N 2 2 335.448 1.391 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000172012519 442399346 /nfs/dbraw/zinc/39/93/46/442399346.db2.gz WRHFVARGLTUWAZ-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000172012519 442399348 /nfs/dbraw/zinc/39/93/48/442399348.db2.gz WRHFVARGLTUWAZ-LJQANCHMSA-N 2 2 345.487 1.750 20 0 EDADLP CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC000178002371 442401413 /nfs/dbraw/zinc/40/14/13/442401413.db2.gz RHECMGOQWLUVJT-INIZCTEOSA-N 2 2 347.459 1.312 20 0 EDADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC000178002371 442401416 /nfs/dbraw/zinc/40/14/16/442401416.db2.gz RHECMGOQWLUVJT-INIZCTEOSA-N 2 2 347.459 1.312 20 0 EDADLP Cc1ccc([C@H](CNC(=O)NCC[NH+](C)C)[NH+]2CCOCC2)cc1 ZINC000133491925 442420692 /nfs/dbraw/zinc/42/06/92/442420692.db2.gz GIHRIFFDLMKEIZ-KRWDZBQOSA-N 2 2 334.464 1.229 20 0 EDADLP O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000133579634 442424685 /nfs/dbraw/zinc/42/46/85/442424685.db2.gz KGGWDQNYWXGSIS-CYBMUJFWSA-N 2 2 334.420 1.723 20 0 EDADLP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000155791842 442428126 /nfs/dbraw/zinc/42/81/26/442428126.db2.gz LYJQTMDVIHRPFQ-JKSUJKDBSA-N 2 2 341.521 1.137 20 0 EDADLP C[N@@H+](CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000155791842 442428129 /nfs/dbraw/zinc/42/81/29/442428129.db2.gz LYJQTMDVIHRPFQ-JKSUJKDBSA-N 2 2 341.521 1.137 20 0 EDADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000156315393 442466140 /nfs/dbraw/zinc/46/61/40/442466140.db2.gz CZNNWRJNRLLHCE-CQSZACIVSA-N 2 2 332.404 1.255 20 0 EDADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000156315393 442466150 /nfs/dbraw/zinc/46/61/50/442466150.db2.gz CZNNWRJNRLLHCE-CQSZACIVSA-N 2 2 332.404 1.255 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)c1 ZINC000178766562 442478132 /nfs/dbraw/zinc/47/81/32/442478132.db2.gz FBRXSTALSOJSRN-BBRMVZONSA-N 2 2 335.473 1.563 20 0 EDADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cccc(C[NH+]2CCCC2)c1 ZINC000178969160 442540710 /nfs/dbraw/zinc/54/07/10/442540710.db2.gz JXVNVTOPYQASDK-GOSISDBHSA-N 2 2 328.460 1.012 20 0 EDADLP CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000180186634 442555460 /nfs/dbraw/zinc/55/54/60/442555460.db2.gz DIQAYDLBIIIVNG-UHFFFAOYSA-N 2 2 336.461 1.580 20 0 EDADLP C[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C[NH+]1CCOCC1 ZINC000156704898 442511083 /nfs/dbraw/zinc/51/10/83/442511083.db2.gz OMKZGRRPUMOARY-OAHLLOKOSA-N 2 2 349.479 1.029 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000178889449 442515349 /nfs/dbraw/zinc/51/53/49/442515349.db2.gz WFYPBOOIAOJMGG-VQIMIIECSA-N 2 2 338.455 1.857 20 0 EDADLP Cc1cc(C)cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000172697344 442522597 /nfs/dbraw/zinc/52/25/97/442522597.db2.gz UCVDZBZLDBPPHQ-SFHVURJKSA-N 2 2 331.460 1.326 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000172722164 442525621 /nfs/dbraw/zinc/52/56/21/442525621.db2.gz YVUBBCCBSJFSKC-INIZCTEOSA-N 2 2 335.473 1.505 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000172722164 442525625 /nfs/dbraw/zinc/52/56/25/442525625.db2.gz YVUBBCCBSJFSKC-INIZCTEOSA-N 2 2 335.473 1.505 20 0 EDADLP COc1ccc(F)cc1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000186629137 442577465 /nfs/dbraw/zinc/57/74/65/442577465.db2.gz RBPVETBAGJJMBP-UHFFFAOYSA-N 2 2 337.439 1.519 20 0 EDADLP C[C@@H]1CCCN(c2cc(NC[C@](C)(O)C[NH+]3CCOCC3)[nH+]cn2)C1 ZINC000135306935 442578280 /nfs/dbraw/zinc/57/82/80/442578280.db2.gz UCAZCRXSCDSUHP-QAPCUYQASA-N 2 2 349.479 1.208 20 0 EDADLP CCC[C@@H](C)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000180356248 442586491 /nfs/dbraw/zinc/58/64/91/442586491.db2.gz PVPMMTFHMACWFT-MRXNPFEDSA-N 2 2 333.480 1.871 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)CCNC(=O)C(C)C)c2cc1C ZINC000157498955 442588570 /nfs/dbraw/zinc/58/85/70/442588570.db2.gz DDGSWHOGMILUCG-MRXNPFEDSA-N 2 2 346.475 1.718 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)CCNC(=O)C(C)C)c2cc1C ZINC000157498955 442588576 /nfs/dbraw/zinc/58/85/76/442588576.db2.gz DDGSWHOGMILUCG-MRXNPFEDSA-N 2 2 346.475 1.718 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(CCO)CC3)CC2)CC1 ZINC000186694031 442593258 /nfs/dbraw/zinc/59/32/58/442593258.db2.gz VQRRVFIGZDIQBQ-UHFFFAOYSA-N 2 2 338.496 1.007 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000136094047 442650077 /nfs/dbraw/zinc/65/00/77/442650077.db2.gz MSDWOIBUYRPANF-YESZJQIVSA-N 2 2 333.480 1.319 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000136094047 442650080 /nfs/dbraw/zinc/65/00/80/442650080.db2.gz MSDWOIBUYRPANF-YESZJQIVSA-N 3 2 333.480 1.319 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000136094047 442650083 /nfs/dbraw/zinc/65/00/83/442650083.db2.gz MSDWOIBUYRPANF-YESZJQIVSA-N 3 2 333.480 1.319 20 0 EDADLP CC[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000179285890 442613074 /nfs/dbraw/zinc/61/30/74/442613074.db2.gz NTSZSCWZPMCILG-ZBFHGGJFSA-N 2 2 326.485 1.221 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CCc3ccccc32)CN1CC[NH+]1CCOCC1 ZINC000181025356 442675777 /nfs/dbraw/zinc/67/57/77/442675777.db2.gz MRPLHNYGZPRXGX-FUHWJXTLSA-N 2 2 329.444 1.197 20 0 EDADLP O=C1C[C@@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CN1CC[NH+]1CCOCC1 ZINC000181033811 442676698 /nfs/dbraw/zinc/67/66/98/442676698.db2.gz UFGKVZWRXYSATG-FGTMMUONSA-N 2 2 335.492 1.478 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nnc(C4CCC4)n3C)C2)CC1 ZINC000181308470 442689686 /nfs/dbraw/zinc/68/96/86/442689686.db2.gz FNTIBJWRNIYSJI-MRXNPFEDSA-N 2 2 332.496 1.294 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nnc(C4CCC4)n3C)C2)CC1 ZINC000181308470 442689689 /nfs/dbraw/zinc/68/96/89/442689689.db2.gz FNTIBJWRNIYSJI-MRXNPFEDSA-N 2 2 332.496 1.294 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187982477 442701754 /nfs/dbraw/zinc/70/17/54/442701754.db2.gz PVOSWSSIUIVDLX-RHSMWYFYSA-N 2 2 331.439 1.864 20 0 EDADLP Cn1c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc2sc1=O ZINC000192625265 442669377 /nfs/dbraw/zinc/66/93/77/442669377.db2.gz ZNTYKPMSGXFHBI-HNNXBMFYSA-N 2 2 347.484 1.754 20 0 EDADLP Cn1c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc2sc1=O ZINC000192625265 442669379 /nfs/dbraw/zinc/66/93/79/442669379.db2.gz ZNTYKPMSGXFHBI-HNNXBMFYSA-N 2 2 347.484 1.754 20 0 EDADLP CC(C)CN(C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000180928825 442670149 /nfs/dbraw/zinc/67/01/49/442670149.db2.gz BLFQEBCXMDJDGJ-UHFFFAOYSA-N 2 2 340.556 1.837 20 0 EDADLP CC(C)CN(C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000180928825 442670151 /nfs/dbraw/zinc/67/01/51/442670151.db2.gz BLFQEBCXMDJDGJ-UHFFFAOYSA-N 2 2 340.556 1.837 20 0 EDADLP CC(C)CN(C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000180928825 442670153 /nfs/dbraw/zinc/67/01/53/442670153.db2.gz BLFQEBCXMDJDGJ-UHFFFAOYSA-N 2 2 340.556 1.837 20 0 EDADLP CC(C)CN(C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000180928825 442670156 /nfs/dbraw/zinc/67/01/56/442670156.db2.gz BLFQEBCXMDJDGJ-UHFFFAOYSA-N 2 2 340.556 1.837 20 0 EDADLP O=C(C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1)N1CCCCC1 ZINC000193460761 442744851 /nfs/dbraw/zinc/74/48/51/442744851.db2.gz DCTVODVYUYRVKI-UHFFFAOYSA-N 2 2 336.524 1.493 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616981 442759885 /nfs/dbraw/zinc/75/98/85/442759885.db2.gz RHKYQCYGNCHVRE-IYBDPMFKSA-N 2 2 349.450 1.546 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616981 442759888 /nfs/dbraw/zinc/75/98/88/442759888.db2.gz RHKYQCYGNCHVRE-IYBDPMFKSA-N 2 2 349.450 1.546 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193616981 442759889 /nfs/dbraw/zinc/75/98/89/442759889.db2.gz RHKYQCYGNCHVRE-IYBDPMFKSA-N 2 2 349.450 1.546 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193616981 442759892 /nfs/dbraw/zinc/75/98/92/442759892.db2.gz RHKYQCYGNCHVRE-IYBDPMFKSA-N 2 2 349.450 1.546 20 0 EDADLP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000268027548 442822788 /nfs/dbraw/zinc/82/27/88/442822788.db2.gz LEMBAYOFBPBFMZ-CQSZACIVSA-N 2 2 338.521 1.423 20 0 EDADLP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000268027548 442822794 /nfs/dbraw/zinc/82/27/94/442822794.db2.gz LEMBAYOFBPBFMZ-CQSZACIVSA-N 2 2 338.521 1.423 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000265558172 442823830 /nfs/dbraw/zinc/82/38/30/442823830.db2.gz TUQHWKAZTVYLTF-MRXNPFEDSA-N 2 2 342.447 1.454 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000265558172 442823834 /nfs/dbraw/zinc/82/38/34/442823834.db2.gz TUQHWKAZTVYLTF-MRXNPFEDSA-N 2 2 342.447 1.454 20 0 EDADLP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000268081065 442839232 /nfs/dbraw/zinc/83/92/32/442839232.db2.gz GKPQZDLWABSVOR-STQMWFEESA-N 2 2 325.478 1.649 20 0 EDADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000183061170 442872237 /nfs/dbraw/zinc/87/22/37/442872237.db2.gz BQQNUMGELYBJNV-QGZVFWFLSA-N 2 2 330.432 1.041 20 0 EDADLP COC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000265740675 442902543 /nfs/dbraw/zinc/90/25/43/442902543.db2.gz CAQIGZUKZVULKB-IBGZPJMESA-N 2 2 345.487 1.608 20 0 EDADLP COC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000265740675 442902546 /nfs/dbraw/zinc/90/25/46/442902546.db2.gz CAQIGZUKZVULKB-IBGZPJMESA-N 2 2 345.487 1.608 20 0 EDADLP C[C@H](C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000194564430 442914892 /nfs/dbraw/zinc/91/48/92/442914892.db2.gz XUSTUYYSIBNDRP-SJLPKXTDSA-N 2 2 331.460 1.313 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCOCC3)CC2)CC1 ZINC000183559299 442941590 /nfs/dbraw/zinc/94/15/90/442941590.db2.gz WVODQGXRZKIINT-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP COCCC(C)(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000184568814 443040705 /nfs/dbraw/zinc/04/07/05/443040705.db2.gz NPHWRIKAUZWBHR-UHFFFAOYSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000249770357 443004786 /nfs/dbraw/zinc/00/47/86/443004786.db2.gz LADWKLADBOMGPY-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000249770357 443004788 /nfs/dbraw/zinc/00/47/88/443004788.db2.gz LADWKLADBOMGPY-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000268748023 443096116 /nfs/dbraw/zinc/09/61/16/443096116.db2.gz GPTHHZIACXRJPC-OALUTQOASA-N 2 2 328.460 1.880 20 0 EDADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000268748023 443096120 /nfs/dbraw/zinc/09/61/20/443096120.db2.gz GPTHHZIACXRJPC-OALUTQOASA-N 2 2 328.460 1.880 20 0 EDADLP O=C1C[C@H]([NH2+]C/C=C\c2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000254975956 443079886 /nfs/dbraw/zinc/07/98/86/443079886.db2.gz UUXQDAAIOKOTGU-GINYUPMKSA-N 2 2 329.444 1.223 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(N2CCCC2=O)cc1 ZINC000268866411 443131646 /nfs/dbraw/zinc/13/16/46/443131646.db2.gz FNQGGMIFZACZQM-MAUKXSAKSA-N 2 2 330.476 1.710 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(N2CCCC2=O)cc1 ZINC000268866411 443131652 /nfs/dbraw/zinc/13/16/52/443131652.db2.gz FNQGGMIFZACZQM-MAUKXSAKSA-N 2 2 330.476 1.710 20 0 EDADLP CC(C)C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)[NH+]1CCOCC1 ZINC000236679490 443144197 /nfs/dbraw/zinc/14/41/97/443144197.db2.gz LZLCBHIVDOZBPQ-HKUYNNGSSA-N 2 2 345.487 1.737 20 0 EDADLP CN1CC[NH+](CCOc2ccc(NC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000237209973 443164274 /nfs/dbraw/zinc/16/42/74/443164274.db2.gz IXBMOAJNZLYJSC-UHFFFAOYSA-N 2 2 332.448 1.003 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)c2cc1C ZINC000185417212 443196507 /nfs/dbraw/zinc/19/65/07/443196507.db2.gz FAQCRGRJYHDNRS-AQKDONEWSA-N 2 2 337.489 1.713 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H](C)C[S@](C)=O)c2cc1C ZINC000185417212 443196510 /nfs/dbraw/zinc/19/65/10/443196510.db2.gz FAQCRGRJYHDNRS-AQKDONEWSA-N 2 2 337.489 1.713 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649478 443196908 /nfs/dbraw/zinc/19/69/08/443196908.db2.gz XVDLJYAFSZBVMU-STQMWFEESA-N 2 2 345.447 1.457 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649478 443196910 /nfs/dbraw/zinc/19/69/10/443196910.db2.gz XVDLJYAFSZBVMU-STQMWFEESA-N 2 2 345.447 1.457 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649478 443196914 /nfs/dbraw/zinc/19/69/14/443196914.db2.gz XVDLJYAFSZBVMU-STQMWFEESA-N 2 2 345.447 1.457 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649478 443196916 /nfs/dbraw/zinc/19/69/16/443196916.db2.gz XVDLJYAFSZBVMU-STQMWFEESA-N 2 2 345.447 1.457 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)[C@H](C)C1 ZINC000245435022 443227045 /nfs/dbraw/zinc/22/70/45/443227045.db2.gz QEOCNXPHCPQIIY-XMTFNYHQSA-N 2 2 337.508 1.819 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)[C@H](C)C1 ZINC000245435022 443227048 /nfs/dbraw/zinc/22/70/48/443227048.db2.gz QEOCNXPHCPQIIY-XMTFNYHQSA-N 2 2 337.508 1.819 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)[C@H](C)C1 ZINC000245435022 443227050 /nfs/dbraw/zinc/22/70/50/443227050.db2.gz QEOCNXPHCPQIIY-XMTFNYHQSA-N 2 2 337.508 1.819 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)[C@H](C)C1 ZINC000245435022 443227053 /nfs/dbraw/zinc/22/70/53/443227053.db2.gz QEOCNXPHCPQIIY-XMTFNYHQSA-N 2 2 337.508 1.819 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3noc(C)n3)C2)CC1 ZINC000360160324 319117253 /nfs/dbraw/zinc/11/72/53/319117253.db2.gz XPTFARIZJRVBRJ-ZFWWWQNUSA-N 2 2 335.452 1.110 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3noc(C)n3)C2)CC1 ZINC000360160324 319117254 /nfs/dbraw/zinc/11/72/54/319117254.db2.gz XPTFARIZJRVBRJ-ZFWWWQNUSA-N 2 2 335.452 1.110 20 0 EDADLP [NH3+]C1CC[NH+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000384128612 319126276 /nfs/dbraw/zinc/12/62/76/319126276.db2.gz QMOPTSYGCCMUGY-UHFFFAOYSA-N 2 2 331.460 1.617 20 0 EDADLP CCC[N@H+](C[C@H]1CCCCO1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411369531 319179570 /nfs/dbraw/zinc/17/95/70/319179570.db2.gz QJSROMNKCQCVBM-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP CCC[N@@H+](C[C@H]1CCCCO1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411369531 319179573 /nfs/dbraw/zinc/17/95/73/319179573.db2.gz QJSROMNKCQCVBM-IAGOWNOFSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CS1 ZINC000413685011 319287205 /nfs/dbraw/zinc/28/72/05/319287205.db2.gz UXROVECHNHTEAL-KFWWJZLASA-N 2 2 340.537 1.690 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CS1 ZINC000413685011 319287208 /nfs/dbraw/zinc/28/72/08/319287208.db2.gz UXROVECHNHTEAL-KFWWJZLASA-N 2 2 340.537 1.690 20 0 EDADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000414674821 319339978 /nfs/dbraw/zinc/33/99/78/319339978.db2.gz FGRJCHCSAOGLRT-KSZLIROESA-N 2 2 338.540 1.482 20 0 EDADLP O=C(NC1CC[NH+](C2CC2)CC1)c1ccccc1C[NH+]1CCOCC1 ZINC000266840096 443263430 /nfs/dbraw/zinc/26/34/30/443263430.db2.gz OWWYACPJLXARRT-UHFFFAOYSA-N 2 2 343.471 1.875 20 0 EDADLP C[NH+]1CCC(CNC(=O)CCc2ccncn2)([NH+]2CCCCC2)CC1 ZINC000191265689 443268544 /nfs/dbraw/zinc/26/85/44/443268544.db2.gz NQHXAYFFKCWFCD-UHFFFAOYSA-N 2 2 345.491 1.476 20 0 EDADLP [NH3+][C@H](CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)C1CC1 ZINC000416885243 319468987 /nfs/dbraw/zinc/46/89/87/319468987.db2.gz FBRLMARUDDYVCQ-IAGOWNOFSA-N 2 2 332.448 1.096 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C[C@H]1[NH3+] ZINC000416917841 319474181 /nfs/dbraw/zinc/47/41/81/319474181.db2.gz ROUYFPPQNOTEBW-DFBGVHRSSA-N 2 2 331.395 1.637 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000416939158 319479612 /nfs/dbraw/zinc/47/96/12/319479612.db2.gz MLPYRRCLYVGXOJ-HNNXBMFYSA-N 2 2 339.802 1.831 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)/C=C/C[NH+](C)C)[NH+]2CCOCC2)s1 ZINC000267191762 443372592 /nfs/dbraw/zinc/37/25/92/443372592.db2.gz CISZHBUUICQSNY-MBVDDHJVSA-N 2 2 337.489 1.664 20 0 EDADLP CN(C)c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)c[nH+]1 ZINC000267152181 443359640 /nfs/dbraw/zinc/35/96/40/443359640.db2.gz HLJLQJKMLXTUIT-MRXNPFEDSA-N 2 2 337.493 1.384 20 0 EDADLP C[N@H+](Cc1ncccn1)[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000278754514 443426700 /nfs/dbraw/zinc/42/67/00/443426700.db2.gz NBALQIMALLSWCY-HNNXBMFYSA-N 2 2 339.447 1.799 20 0 EDADLP C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000278754514 443426707 /nfs/dbraw/zinc/42/67/07/443426707.db2.gz NBALQIMALLSWCY-HNNXBMFYSA-N 2 2 339.447 1.799 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@]4(CNC(=O)C4)C3)c2cc1C ZINC000278783651 443437705 /nfs/dbraw/zinc/43/77/05/443437705.db2.gz DIQZDGXFPVOGEG-KXBFYZLASA-N 2 2 342.443 1.226 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@]4(CNC(=O)C4)C3)c2cc1C ZINC000278783651 443437707 /nfs/dbraw/zinc/43/77/07/443437707.db2.gz DIQZDGXFPVOGEG-KXBFYZLASA-N 2 2 342.443 1.226 20 0 EDADLP CC(=O)c1ccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000264915998 443475681 /nfs/dbraw/zinc/47/56/81/443475681.db2.gz OKZKRJCLRNUKON-UHFFFAOYSA-N 2 2 345.487 1.916 20 0 EDADLP CC(=O)c1ccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000264915998 443475685 /nfs/dbraw/zinc/47/56/85/443475685.db2.gz OKZKRJCLRNUKON-UHFFFAOYSA-N 2 2 345.487 1.916 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000282948008 443477378 /nfs/dbraw/zinc/47/73/78/443477378.db2.gz NDEDJBVLKQTOEX-GJZGRUSLSA-N 2 2 325.840 1.390 20 0 EDADLP C[NH+](C)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000282948008 443477383 /nfs/dbraw/zinc/47/73/83/443477383.db2.gz NDEDJBVLKQTOEX-GJZGRUSLSA-N 2 2 325.840 1.390 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]cn1 ZINC000264937305 443484398 /nfs/dbraw/zinc/48/43/98/443484398.db2.gz RCJULRHIIJHGRO-AWEZNQCLSA-N 2 2 328.420 1.545 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc[nH+]1 ZINC000264937305 443484399 /nfs/dbraw/zinc/48/43/99/443484399.db2.gz RCJULRHIIJHGRO-AWEZNQCLSA-N 2 2 328.420 1.545 20 0 EDADLP c1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(C[NH+]2CCOCC2)c1 ZINC000422696279 319732357 /nfs/dbraw/zinc/73/23/57/319732357.db2.gz RDUQRIFEWKFDEZ-VQTJNVASSA-N 3 2 345.487 1.375 20 0 EDADLP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422739466 319736628 /nfs/dbraw/zinc/73/66/28/319736628.db2.gz LMPONVWGVNINLJ-XJKSGUPXSA-N 2 2 325.478 1.461 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000278881201 443471717 /nfs/dbraw/zinc/47/17/17/443471717.db2.gz COVJLFGFFHCNCS-JKSUJKDBSA-N 2 2 342.447 1.825 20 0 EDADLP CCN1CCO[C@@H](C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423104381 319750450 /nfs/dbraw/zinc/75/04/50/319750450.db2.gz MBTAUUSXUOWQPE-LEAZDLGRSA-N 2 2 347.503 1.805 20 0 EDADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000271444487 443504402 /nfs/dbraw/zinc/50/44/02/443504402.db2.gz SOALNHXDYNOVAJ-MSOLQXFVSA-N 2 2 347.459 1.279 20 0 EDADLP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000271444487 443504405 /nfs/dbraw/zinc/50/44/05/443504405.db2.gz SOALNHXDYNOVAJ-MSOLQXFVSA-N 2 2 347.459 1.279 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)cn21 ZINC000423405772 319772223 /nfs/dbraw/zinc/77/22/23/319772223.db2.gz ZQNSRSCDJLSQLH-CYBMUJFWSA-N 2 2 338.415 1.763 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)n1C ZINC000267651719 443527699 /nfs/dbraw/zinc/52/76/99/443527699.db2.gz WECFAMZMFBGHGW-UHFFFAOYSA-N 2 2 331.424 1.298 20 0 EDADLP C[C@H](CS(C)(=O)=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000272290836 443581976 /nfs/dbraw/zinc/58/19/76/443581976.db2.gz QBEVMLPMOODKSC-OCCSQVGLSA-N 2 2 326.466 1.067 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC[C@@H]21 ZINC000272294246 443583104 /nfs/dbraw/zinc/58/31/04/443583104.db2.gz VQYFTBWJGXBFGX-PBHICJAKSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC[C@@H]21 ZINC000272294246 443583107 /nfs/dbraw/zinc/58/31/07/443583107.db2.gz VQYFTBWJGXBFGX-PBHICJAKSA-N 2 2 325.416 1.824 20 0 EDADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000286044473 443632799 /nfs/dbraw/zinc/63/27/99/443632799.db2.gz QVCKMUIUHPKPNQ-DOTOQJQBSA-N 2 2 327.432 1.562 20 0 EDADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000286044473 443632805 /nfs/dbraw/zinc/63/28/05/443632805.db2.gz QVCKMUIUHPKPNQ-DOTOQJQBSA-N 2 2 327.432 1.562 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)C[C@@H]1C ZINC000265307737 443602152 /nfs/dbraw/zinc/60/21/52/443602152.db2.gz BBBZZXIXBHRJNO-HNNXBMFYSA-N 2 2 345.447 1.505 20 0 EDADLP COCC[N@H+]1CCN(C(=O)NCc2cn3cc(C)ccc3[nH+]2)C[C@@H]1C ZINC000265307737 443602156 /nfs/dbraw/zinc/60/21/56/443602156.db2.gz BBBZZXIXBHRJNO-HNNXBMFYSA-N 2 2 345.447 1.505 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000446958536 320137308 /nfs/dbraw/zinc/13/73/08/320137308.db2.gz FREOXTZFVYJCEM-UHFFFAOYSA-N 2 2 347.488 1.501 20 0 EDADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCS(=O)(=O)C1 ZINC000280121828 443668120 /nfs/dbraw/zinc/66/81/20/443668120.db2.gz VGVCSAMMOWKGLH-QZTJIDSGSA-N 2 2 336.501 1.875 20 0 EDADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCS(=O)(=O)C1 ZINC000280121828 443668121 /nfs/dbraw/zinc/66/81/21/443668121.db2.gz VGVCSAMMOWKGLH-QZTJIDSGSA-N 2 2 336.501 1.875 20 0 EDADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCS(=O)(=O)C1 ZINC000280121828 443668122 /nfs/dbraw/zinc/66/81/22/443668122.db2.gz VGVCSAMMOWKGLH-QZTJIDSGSA-N 2 2 336.501 1.875 20 0 EDADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCS(=O)(=O)C1 ZINC000280121828 443668123 /nfs/dbraw/zinc/66/81/23/443668123.db2.gz VGVCSAMMOWKGLH-QZTJIDSGSA-N 2 2 336.501 1.875 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000449398242 320189397 /nfs/dbraw/zinc/18/93/97/320189397.db2.gz UBIMPMTYTVDJSG-OAHLLOKOSA-N 2 2 337.430 1.840 20 0 EDADLP OCCC[N@H+]1CCC[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000449398242 320189399 /nfs/dbraw/zinc/18/93/99/320189399.db2.gz UBIMPMTYTVDJSG-OAHLLOKOSA-N 2 2 337.430 1.840 20 0 EDADLP O=C(CNC(=O)OCC(F)(F)F)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491557361 320371721 /nfs/dbraw/zinc/37/17/21/320371721.db2.gz JRJANZFTLFSWQR-UHFFFAOYSA-N 2 2 343.265 1.494 20 0 EDADLP O=C1O[C@H](C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CN1c1ccccc1 ZINC000492507912 320380958 /nfs/dbraw/zinc/38/09/58/320380958.db2.gz JUEPPFMKRYPJLM-MRXNPFEDSA-N 2 2 341.415 1.553 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000516864158 320442024 /nfs/dbraw/zinc/44/20/24/320442024.db2.gz QRZKUDSPBREDCX-AWEZNQCLSA-N 2 2 345.443 1.243 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276570601 443750073 /nfs/dbraw/zinc/75/00/73/443750073.db2.gz SZJPLACYXOBKLM-CABCVRRESA-N 2 2 334.468 1.033 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276570601 443750075 /nfs/dbraw/zinc/75/00/75/443750075.db2.gz SZJPLACYXOBKLM-CABCVRRESA-N 2 2 334.468 1.033 20 0 EDADLP CC[N@H+](CCNC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1)C1CC1 ZINC000276602398 443761819 /nfs/dbraw/zinc/76/18/19/443761819.db2.gz VNNFBSBYJIGJJN-INIZCTEOSA-N 2 2 346.479 1.177 20 0 EDADLP CC[N@@H+](CCNC(=O)N1CC[C@H]([NH+](C)Cc2ncccn2)C1)C1CC1 ZINC000276602398 443761823 /nfs/dbraw/zinc/76/18/23/443761823.db2.gz VNNFBSBYJIGJJN-INIZCTEOSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+](CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1)C1CC1 ZINC000276602398 443761826 /nfs/dbraw/zinc/76/18/26/443761826.db2.gz VNNFBSBYJIGJJN-INIZCTEOSA-N 2 2 346.479 1.177 20 0 EDADLP CC[NH+](CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1)C1CC1 ZINC000276602398 443761829 /nfs/dbraw/zinc/76/18/29/443761829.db2.gz VNNFBSBYJIGJJN-INIZCTEOSA-N 2 2 346.479 1.177 20 0 EDADLP COC(=O)c1cc([C@@H](C)[NH+]2CCN(C(=O)C[NH+](C)C)CC2)oc1C ZINC000292508449 443799075 /nfs/dbraw/zinc/79/90/75/443799075.db2.gz CWGYDBQLFBFIDE-GFCCVEGCSA-N 2 2 337.420 1.141 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CC(F)(F)C1 ZINC000529540112 320583049 /nfs/dbraw/zinc/58/30/49/320583049.db2.gz FOQSCJWHDZBEKU-AAEUAGOBSA-N 2 2 326.391 1.935 20 0 EDADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000530215900 320616608 /nfs/dbraw/zinc/61/66/08/320616608.db2.gz KDEUTSJWFAXIBP-HZPDHXFCSA-N 2 2 335.473 1.586 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC000288300487 443837059 /nfs/dbraw/zinc/83/70/59/443837059.db2.gz HCLOLRBBKDNQJQ-QFBILLFUSA-N 2 2 345.487 1.737 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC000288300487 443837061 /nfs/dbraw/zinc/83/70/61/443837061.db2.gz HCLOLRBBKDNQJQ-QFBILLFUSA-N 2 2 345.487 1.737 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277029783 443890938 /nfs/dbraw/zinc/89/09/38/443890938.db2.gz BADWGLDGOHDSSV-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277029783 443890943 /nfs/dbraw/zinc/89/09/43/443890943.db2.gz BADWGLDGOHDSSV-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000298763086 443860552 /nfs/dbraw/zinc/86/05/52/443860552.db2.gz QJDPOXOLTXZKPS-LSDHHAIUSA-N 2 2 347.463 1.264 20 0 EDADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000298763086 443860557 /nfs/dbraw/zinc/86/05/57/443860557.db2.gz QJDPOXOLTXZKPS-LSDHHAIUSA-N 2 2 347.463 1.264 20 0 EDADLP O=C1C[C@]2(CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)CN1 ZINC000285261152 443915770 /nfs/dbraw/zinc/91/57/70/443915770.db2.gz IZVAWGMUEBFDDP-HXUWFJFHSA-N 2 2 342.487 1.411 20 0 EDADLP O=C1C[C@]2(CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)CN1 ZINC000285261152 443915772 /nfs/dbraw/zinc/91/57/72/443915772.db2.gz IZVAWGMUEBFDDP-HXUWFJFHSA-N 2 2 342.487 1.411 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1(C)C ZINC000543086813 320788389 /nfs/dbraw/zinc/78/83/89/320788389.db2.gz LCEMZXRQWYJHSO-RBSFLKMASA-N 2 2 334.464 1.704 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCNC1=O ZINC000285385616 443964180 /nfs/dbraw/zinc/96/41/80/443964180.db2.gz BQCZABDDGZRWTC-LJQANCHMSA-N 2 2 342.443 1.136 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCNC1=O ZINC000285385616 443964185 /nfs/dbraw/zinc/96/41/85/443964185.db2.gz BQCZABDDGZRWTC-LJQANCHMSA-N 2 2 342.443 1.136 20 0 EDADLP O=C(C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCNC1=O ZINC000285385616 443964190 /nfs/dbraw/zinc/96/41/90/443964190.db2.gz BQCZABDDGZRWTC-LJQANCHMSA-N 2 2 342.443 1.136 20 0 EDADLP O=C(C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCNC1=O ZINC000285385616 443964195 /nfs/dbraw/zinc/96/41/95/443964195.db2.gz BQCZABDDGZRWTC-LJQANCHMSA-N 2 2 342.443 1.136 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000288741206 443969743 /nfs/dbraw/zinc/96/97/43/443969743.db2.gz BMJBXYAVYJWHCR-RYQLBKOJSA-N 2 2 347.507 1.223 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000277543037 444004579 /nfs/dbraw/zinc/00/45/79/444004579.db2.gz XEGHWGIMEQLCAY-MJGOQNOKSA-N 2 2 329.488 1.961 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000277543037 444004583 /nfs/dbraw/zinc/00/45/83/444004583.db2.gz XEGHWGIMEQLCAY-MJGOQNOKSA-N 2 2 329.488 1.961 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC000547673678 320837773 /nfs/dbraw/zinc/83/77/73/320837773.db2.gz AAMWRTKHEQRSSP-SJORKVTESA-N 2 2 341.459 1.670 20 0 EDADLP c1ncn(CC[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)n1 ZINC000289032557 444038035 /nfs/dbraw/zinc/03/80/35/444038035.db2.gz BBFOIVTXCRGCCS-OAHLLOKOSA-N 2 2 328.420 1.427 20 0 EDADLP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299553413 444077732 /nfs/dbraw/zinc/07/77/32/444077732.db2.gz QYCAQSWSJRXMCV-LJQANCHMSA-N 2 2 344.503 1.535 20 0 EDADLP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299553413 444077738 /nfs/dbraw/zinc/07/77/38/444077738.db2.gz QYCAQSWSJRXMCV-LJQANCHMSA-N 2 2 344.503 1.535 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000560446688 321028545 /nfs/dbraw/zinc/02/85/45/321028545.db2.gz DSVSZGQLICVHTA-SFHVURJKSA-N 2 2 344.459 1.754 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000561003594 321030908 /nfs/dbraw/zinc/03/09/08/321030908.db2.gz NHUVTCFTKRWBJP-ZDUSSCGKSA-N 2 2 341.415 1.223 20 0 EDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000561145449 321034880 /nfs/dbraw/zinc/03/48/80/321034880.db2.gz YTEMDASYCUBUAF-ROUUACIJSA-N 2 2 339.443 1.682 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000562294395 321050113 /nfs/dbraw/zinc/05/01/13/321050113.db2.gz WVOSZANCXUAJDE-DOTOQJQBSA-N 2 2 325.497 1.581 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000562294395 321050114 /nfs/dbraw/zinc/05/01/14/321050114.db2.gz WVOSZANCXUAJDE-DOTOQJQBSA-N 2 2 325.497 1.581 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000562500257 321059807 /nfs/dbraw/zinc/05/98/07/321059807.db2.gz ZKSQNHXGCLLYNM-KRWDZBQOSA-N 2 2 344.459 1.343 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000562500257 321059809 /nfs/dbraw/zinc/05/98/09/321059809.db2.gz ZKSQNHXGCLLYNM-KRWDZBQOSA-N 2 2 344.459 1.343 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000562500257 321059811 /nfs/dbraw/zinc/05/98/11/321059811.db2.gz ZKSQNHXGCLLYNM-KRWDZBQOSA-N 2 2 344.459 1.343 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000562500257 321059812 /nfs/dbraw/zinc/05/98/12/321059812.db2.gz ZKSQNHXGCLLYNM-KRWDZBQOSA-N 2 2 344.459 1.343 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000562719151 321071812 /nfs/dbraw/zinc/07/18/12/321071812.db2.gz XILMZSVLOAVSIE-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP O=C(C[N@@H+]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1)N1CCCC1 ZINC000562721717 321072161 /nfs/dbraw/zinc/07/21/61/321072161.db2.gz ZPITUXWUNGUATH-UHFFFAOYSA-N 2 2 344.463 1.185 20 0 EDADLP O=C(C[N@H+]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1)N1CCCC1 ZINC000562721717 321072162 /nfs/dbraw/zinc/07/21/62/321072162.db2.gz ZPITUXWUNGUATH-UHFFFAOYSA-N 2 2 344.463 1.185 20 0 EDADLP FC(F)(F)COc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000562958529 321083844 /nfs/dbraw/zinc/08/38/44/321083844.db2.gz MDAQLRITRHXXQO-HIFRSBDPSA-N 2 2 345.365 1.879 20 0 EDADLP Cc1cnc([C@H](C)C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000563010792 321087629 /nfs/dbraw/zinc/08/76/29/321087629.db2.gz ADWRQTMWISTEDY-GUIRCDHDSA-N 2 2 327.494 1.615 20 0 EDADLP Cc1cnc([C@H](C)C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000563010792 321087631 /nfs/dbraw/zinc/08/76/31/321087631.db2.gz ADWRQTMWISTEDY-GUIRCDHDSA-N 2 2 327.494 1.615 20 0 EDADLP CCc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)C[NH+](C)CCOC)CCC2 ZINC000564402294 321129497 /nfs/dbraw/zinc/12/94/97/321129497.db2.gz LNWWVQZOTDRSFG-UKRRQHHQSA-N 2 2 341.521 1.954 20 0 EDADLP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)CCOC)CCC2 ZINC000564402294 321129499 /nfs/dbraw/zinc/12/94/99/321129499.db2.gz LNWWVQZOTDRSFG-UKRRQHHQSA-N 2 2 341.521 1.954 20 0 EDADLP CCc1nc2c(s1)[C@H]([NH+](C)C[C@H](O)C[N@H+](C)CCOC)CCC2 ZINC000564402294 321129500 /nfs/dbraw/zinc/12/95/00/321129500.db2.gz LNWWVQZOTDRSFG-UKRRQHHQSA-N 2 2 341.521 1.954 20 0 EDADLP CCc1nc2c(s1)[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)CCOC)CCC2 ZINC000564402294 321129501 /nfs/dbraw/zinc/12/95/01/321129501.db2.gz LNWWVQZOTDRSFG-UKRRQHHQSA-N 2 2 341.521 1.954 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CC[NH2+]C3CC3)c2)CC1 ZINC000564665931 321140218 /nfs/dbraw/zinc/14/02/18/321140218.db2.gz BTYOCAJPEDPJGE-UHFFFAOYSA-N 2 2 344.459 1.431 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000564736056 321144358 /nfs/dbraw/zinc/14/43/58/321144358.db2.gz HOLWKPCDICESGR-KDOFPFPSSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000564736056 321144360 /nfs/dbraw/zinc/14/43/60/321144360.db2.gz HOLWKPCDICESGR-KDOFPFPSSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000564736056 321144362 /nfs/dbraw/zinc/14/43/62/321144362.db2.gz HOLWKPCDICESGR-KDOFPFPSSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000564736056 321144364 /nfs/dbraw/zinc/14/43/64/321144364.db2.gz HOLWKPCDICESGR-KDOFPFPSSA-N 2 2 342.443 1.471 20 0 EDADLP C[NH+](C)Cc1nc(C2(NC(=O)CCCC[NH3+])CCCCCC2)no1 ZINC000565660700 321196064 /nfs/dbraw/zinc/19/60/64/321196064.db2.gz LVZWNWDMMLDAJI-UHFFFAOYSA-N 2 2 337.468 1.926 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4)s3)CCN2C1=O ZINC000565666342 321196483 /nfs/dbraw/zinc/19/64/83/321196483.db2.gz DCGVZUQIPKAVCN-KGLIPLIRSA-N 2 2 328.441 1.554 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4)s3)CCN2C1=O ZINC000565666342 321196485 /nfs/dbraw/zinc/19/64/85/321196485.db2.gz DCGVZUQIPKAVCN-KGLIPLIRSA-N 2 2 328.441 1.554 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000566795757 321234014 /nfs/dbraw/zinc/23/40/14/321234014.db2.gz XABZEOVPUDYLDW-DAYGRLMNSA-N 2 2 346.475 1.363 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)[NH+]1CC(C)C1 ZINC000567625643 321249372 /nfs/dbraw/zinc/24/93/72/321249372.db2.gz UNPZCXXKOMVNPQ-GDBMZVCRSA-N 2 2 331.464 1.501 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000568294023 321287027 /nfs/dbraw/zinc/28/70/27/321287027.db2.gz IXGMEAVFJBMEMD-QWHCGFSZSA-N 2 2 338.402 1.590 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000568294023 321287028 /nfs/dbraw/zinc/28/70/28/321287028.db2.gz IXGMEAVFJBMEMD-QWHCGFSZSA-N 2 2 338.402 1.590 20 0 EDADLP O=C(C[NH2+][C@H](c1ccc(F)cc1)c1ccccn1)N1CC[NH2+]CC1 ZINC000569473054 321326672 /nfs/dbraw/zinc/32/66/72/321326672.db2.gz ZZQBIOFEOVSFBJ-GOSISDBHSA-N 2 2 328.391 1.332 20 0 EDADLP C[C@H](CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1)n1cc[nH+]c1 ZINC000569491827 321328208 /nfs/dbraw/zinc/32/82/08/321328208.db2.gz PRESWJDBPPLXKF-GDBMZVCRSA-N 2 2 346.431 1.774 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569998846 321333926 /nfs/dbraw/zinc/33/39/26/321333926.db2.gz WXPISZYQHUIYPD-ZFWWWQNUSA-N 2 2 341.415 1.358 20 0 EDADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000570708588 321354699 /nfs/dbraw/zinc/35/46/99/321354699.db2.gz BOGZAYCRLVZVGS-RCCFBDPRSA-N 3 2 339.524 1.611 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000570880625 321361563 /nfs/dbraw/zinc/36/15/63/321361563.db2.gz BVCVRSDQWZYGJT-LSDHHAIUSA-N 2 2 335.452 1.166 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000570880625 321361564 /nfs/dbraw/zinc/36/15/64/321361564.db2.gz BVCVRSDQWZYGJT-LSDHHAIUSA-N 2 2 335.452 1.166 20 0 EDADLP C[C@H](C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000289363174 444119501 /nfs/dbraw/zinc/11/95/01/444119501.db2.gz ZKWSHRFXHRXBLL-NVXWUHKLSA-N 2 2 328.464 1.367 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000571194179 321375699 /nfs/dbraw/zinc/37/56/99/321375699.db2.gz IKVCAKXETCPJAU-MCIONIFRSA-N 2 2 337.851 1.802 20 0 EDADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000571425317 321386642 /nfs/dbraw/zinc/38/66/42/321386642.db2.gz NSCWQGWFLHOLLH-JKSUJKDBSA-N 2 2 349.479 1.016 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000571425317 321386643 /nfs/dbraw/zinc/38/66/43/321386643.db2.gz NSCWQGWFLHOLLH-JKSUJKDBSA-N 2 2 349.479 1.016 20 0 EDADLP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1F ZINC000571566734 321392754 /nfs/dbraw/zinc/39/27/54/321392754.db2.gz WCBKDPXGOBVGQS-OAHLLOKOSA-N 2 2 330.407 1.963 20 0 EDADLP Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)nc[nH+]1 ZINC000301220728 444156031 /nfs/dbraw/zinc/15/60/31/444156031.db2.gz AUFAVPBLOSEQOZ-UHFFFAOYSA-N 2 2 345.491 1.994 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000294540965 444123267 /nfs/dbraw/zinc/12/32/67/444123267.db2.gz VWJHGHWCNFZWCT-MRXNPFEDSA-N 2 2 341.459 1.900 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CCN(c3[nH]c4ccccc4[nH+]3)CC2)CC1 ZINC000301869498 444194371 /nfs/dbraw/zinc/19/43/71/444194371.db2.gz IERSLCGRKQGYJU-UHFFFAOYSA-N 2 2 341.459 1.943 20 0 EDADLP C[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)S(C)(=O)=O ZINC000576339227 321558172 /nfs/dbraw/zinc/55/81/72/321558172.db2.gz FBAOEKDWYZVNGC-CQSZACIVSA-N 2 2 340.489 1.166 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(c3nc(C)[nH+]c4c3CCCC4)C2)CC1 ZINC000302062562 444202675 /nfs/dbraw/zinc/20/26/75/444202675.db2.gz UKCJPYGSEYPOTI-INIZCTEOSA-N 2 2 329.492 1.880 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000304319688 444246570 /nfs/dbraw/zinc/24/65/70/444246570.db2.gz SYONBOMQGOUDAR-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000304319688 444246571 /nfs/dbraw/zinc/24/65/71/444246571.db2.gz SYONBOMQGOUDAR-ICSRJNTNSA-N 2 2 347.503 1.276 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000305098598 444257577 /nfs/dbraw/zinc/25/75/77/444257577.db2.gz ADMXAFDZCDRKTE-MAUKXSAKSA-N 2 2 331.460 1.921 20 0 EDADLP CC(C)[C@H](O)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000305164628 444262133 /nfs/dbraw/zinc/26/21/33/444262133.db2.gz GXTFMXTZMLWAAE-MRXNPFEDSA-N 2 2 325.497 1.460 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)CC[C@H]21 ZINC000302917491 444231791 /nfs/dbraw/zinc/23/17/91/444231791.db2.gz WZQJDPXKTNTJMQ-BRWVUGGUSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)CC[C@H]21 ZINC000302917491 444231794 /nfs/dbraw/zinc/23/17/94/444231794.db2.gz WZQJDPXKTNTJMQ-BRWVUGGUSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)CC[C@H]21 ZINC000302917491 444231795 /nfs/dbraw/zinc/23/17/95/444231795.db2.gz WZQJDPXKTNTJMQ-BRWVUGGUSA-N 2 2 345.491 1.748 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)CC[C@H]21 ZINC000302917491 444231797 /nfs/dbraw/zinc/23/17/97/444231797.db2.gz WZQJDPXKTNTJMQ-BRWVUGGUSA-N 2 2 345.491 1.748 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](C(N)=O)CC[C@H]3C)c2cc1C ZINC000303393711 444237054 /nfs/dbraw/zinc/23/70/54/444237054.db2.gz GARQXUYYONYEOG-OWCLPIDISA-N 2 2 344.459 1.600 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](C(N)=O)CC[C@H]3C)c2cc1C ZINC000303393711 444237055 /nfs/dbraw/zinc/23/70/55/444237055.db2.gz GARQXUYYONYEOG-OWCLPIDISA-N 2 2 344.459 1.600 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1CCO)N1CC[NH+](Cc2ccco2)CC1 ZINC000303986855 444239424 /nfs/dbraw/zinc/23/94/24/444239424.db2.gz IYQTYHNFVKRBLN-INIZCTEOSA-N 2 2 335.448 1.161 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1CCO)N1CC[NH+](Cc2ccco2)CC1 ZINC000303986855 444239425 /nfs/dbraw/zinc/23/94/25/444239425.db2.gz IYQTYHNFVKRBLN-INIZCTEOSA-N 2 2 335.448 1.161 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000577861680 321689219 /nfs/dbraw/zinc/68/92/19/321689219.db2.gz JRVDVOYXDAGSGM-MRXNPFEDSA-N 2 2 347.507 1.418 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000577962615 321700304 /nfs/dbraw/zinc/70/03/04/321700304.db2.gz AGWUDXMGTGHXMM-HNNXBMFYSA-N 2 2 333.432 1.949 20 0 EDADLP C[C@@H](CCNC(=O)C(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000290606102 444300604 /nfs/dbraw/zinc/30/06/04/444300604.db2.gz RNLSAYGGLBGKEW-INIZCTEOSA-N 2 2 349.479 1.112 20 0 EDADLP Cn1c[nH+]cc1CC[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000297898377 444352232 /nfs/dbraw/zinc/35/22/32/444352232.db2.gz RJHGCTDGZBKGNI-UHFFFAOYSA-N 2 2 339.443 1.702 20 0 EDADLP Cn1c[nH+]cc1CC[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000297898377 444352234 /nfs/dbraw/zinc/35/22/34/444352234.db2.gz RJHGCTDGZBKGNI-UHFFFAOYSA-N 2 2 339.443 1.702 20 0 EDADLP C[NH+](C)CC1(CNC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CCCC1 ZINC000297783755 444334098 /nfs/dbraw/zinc/33/40/98/444334098.db2.gz ADKQVDOZZPAFFG-UHFFFAOYSA-N 2 2 343.431 1.511 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000328633579 444405926 /nfs/dbraw/zinc/40/59/26/444405926.db2.gz BAOSGICYINLXQN-SJORKVTESA-N 2 2 341.415 1.464 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cn1 ZINC000328633579 444405929 /nfs/dbraw/zinc/40/59/29/444405929.db2.gz BAOSGICYINLXQN-SJORKVTESA-N 2 2 341.415 1.464 20 0 EDADLP CC(C)[C@H]1OCCC[C@H]1Nc1cc[nH+]c(N(C)Cc2[nH+]ccn2C)n1 ZINC000328643066 444410963 /nfs/dbraw/zinc/41/09/63/444410963.db2.gz RHEKSVLUCCNXEA-RHSMWYFYSA-N 2 2 344.463 2.462 20 0 EDADLP CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000328897838 444392838 /nfs/dbraw/zinc/39/28/38/444392838.db2.gz XOXAYOAOIMOTOX-HOTGVXAUSA-N 2 2 344.521 1.577 20 0 EDADLP Cc1c[nH+]c2cc(-c3nc(CC(=O)N4CC[NH+](C)CC4)no3)ccn12 ZINC000581081485 322133993 /nfs/dbraw/zinc/13/39/93/322133993.db2.gz BFRVEZDLZAAHHN-UHFFFAOYSA-N 2 2 340.387 1.009 20 0 EDADLP O=C1c2ccccc2C(=O)N1CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581348866 322166148 /nfs/dbraw/zinc/16/61/48/322166148.db2.gz RPMNUVLMQGEJEL-UHFFFAOYSA-N 2 2 339.399 1.218 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000581375234 322170621 /nfs/dbraw/zinc/17/06/21/322170621.db2.gz UTVVHKIJYMIQDT-DYVFJYSZSA-N 2 2 327.419 1.614 20 0 EDADLP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000581375234 322170622 /nfs/dbraw/zinc/17/06/22/322170622.db2.gz UTVVHKIJYMIQDT-DYVFJYSZSA-N 2 2 327.419 1.614 20 0 EDADLP CC[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000581414097 322174204 /nfs/dbraw/zinc/17/42/04/322174204.db2.gz HZPYGRFNPBYLLM-SJORKVTESA-N 2 2 330.432 1.840 20 0 EDADLP CC[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)[N@H+]1CCO[C@H](CC)C1 ZINC000581414097 322174206 /nfs/dbraw/zinc/17/42/06/322174206.db2.gz HZPYGRFNPBYLLM-SJORKVTESA-N 2 2 330.432 1.840 20 0 EDADLP CCCCNc1cc(N2CC[N@H+](CCOCC)[C@H](C)C2)nc(N)[nH+]1 ZINC000342219997 444571977 /nfs/dbraw/zinc/57/19/77/444571977.db2.gz IGAJLMQAQLPOPS-CQSZACIVSA-N 2 2 336.484 1.818 20 0 EDADLP CCCCNc1cc(N2CC[N@@H+](CCOCC)[C@H](C)C2)nc(N)[nH+]1 ZINC000342219997 444571979 /nfs/dbraw/zinc/57/19/79/444571979.db2.gz IGAJLMQAQLPOPS-CQSZACIVSA-N 2 2 336.484 1.818 20 0 EDADLP C[C@@H]1C[N@H+](CC[S@](=O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000343717878 444542790 /nfs/dbraw/zinc/54/27/90/444542790.db2.gz CBYQZCDMICOHCR-OSPHWJPCSA-N 2 2 349.544 1.895 20 0 EDADLP C[C@@H]1C[N@@H+](CC[S@](=O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000343717878 444542793 /nfs/dbraw/zinc/54/27/93/444542793.db2.gz CBYQZCDMICOHCR-OSPHWJPCSA-N 2 2 349.544 1.895 20 0 EDADLP C[NH+](C)CCCC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338177999 444550466 /nfs/dbraw/zinc/55/04/66/444550466.db2.gz NFRMMBVYQDKURD-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000333020767 444631114 /nfs/dbraw/zinc/63/11/14/444631114.db2.gz ZJNQYLBFPGHJQK-IVSAIRAKSA-N 2 2 334.464 1.448 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000333020767 444631116 /nfs/dbraw/zinc/63/11/16/444631116.db2.gz ZJNQYLBFPGHJQK-IVSAIRAKSA-N 2 2 334.464 1.448 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1[NH+]1CCOCC1 ZINC000329513296 444610037 /nfs/dbraw/zinc/61/00/37/444610037.db2.gz LJFQZRCRVULIIC-SOLBZPMBSA-N 2 2 346.475 1.323 20 0 EDADLP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000342280630 444610704 /nfs/dbraw/zinc/61/07/04/444610704.db2.gz NTLCZHQGBQOACF-OAHLLOKOSA-N 2 2 349.479 1.032 20 0 EDADLP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000342280630 444610708 /nfs/dbraw/zinc/61/07/08/444610708.db2.gz NTLCZHQGBQOACF-OAHLLOKOSA-N 2 2 349.479 1.032 20 0 EDADLP c1c[nH+]c([C@@H]2CCCN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)C2)[nH]1 ZINC000333294431 444654702 /nfs/dbraw/zinc/65/47/02/444654702.db2.gz RWXNKZADTJKAJJ-ZIAGYGMSSA-N 2 2 328.420 2.175 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343916057 444666687 /nfs/dbraw/zinc/66/66/87/444666687.db2.gz PKVAJENBEVFOTM-QAPCUYQASA-N 2 2 330.476 1.395 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343916057 444666693 /nfs/dbraw/zinc/66/66/93/444666693.db2.gz PKVAJENBEVFOTM-QAPCUYQASA-N 2 2 330.476 1.395 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343929238 444676061 /nfs/dbraw/zinc/67/60/61/444676061.db2.gz IEZCHSNLUCMWDI-SJLPKXTDSA-N 2 2 345.487 1.916 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343929238 444676063 /nfs/dbraw/zinc/67/60/63/444676063.db2.gz IEZCHSNLUCMWDI-SJLPKXTDSA-N 2 2 345.487 1.916 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343877882 444641440 /nfs/dbraw/zinc/64/14/40/444641440.db2.gz ZDZMBNBRVOOALP-FMKPAKJESA-N 2 2 333.480 1.966 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343877882 444641443 /nfs/dbraw/zinc/64/14/43/444641443.db2.gz ZDZMBNBRVOOALP-FMKPAKJESA-N 2 2 333.480 1.966 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CCOCC1 ZINC000333569595 444681682 /nfs/dbraw/zinc/68/16/82/444681682.db2.gz MFSAQAGSTBGXEQ-KFWWJZLASA-N 2 2 335.452 1.457 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc[nH+]1 ZINC000333883058 444707426 /nfs/dbraw/zinc/70/74/26/444707426.db2.gz FAWOMEXJBJZRGV-ARFHVFGLSA-N 2 2 344.463 1.005 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000333908378 444715652 /nfs/dbraw/zinc/71/56/52/444715652.db2.gz KNXLOTRWQYWRDG-GOSISDBHSA-N 2 2 329.448 1.577 20 0 EDADLP CNc1nc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)[nH+]c2ccccc21 ZINC000333738337 444693574 /nfs/dbraw/zinc/69/35/74/444693574.db2.gz XEVZPQNKVMDDKM-NVXWUHKLSA-N 2 2 341.459 2.394 20 0 EDADLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000342536450 444735566 /nfs/dbraw/zinc/73/55/66/444735566.db2.gz ACRCPGGFIIGZDY-MRXNPFEDSA-N 2 2 333.480 1.210 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000341371407 444799356 /nfs/dbraw/zinc/79/93/56/444799356.db2.gz FURLXPJDWCDNHI-NEPJUHHUSA-N 2 2 345.369 1.871 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000341371407 444799359 /nfs/dbraw/zinc/79/93/59/444799359.db2.gz FURLXPJDWCDNHI-NEPJUHHUSA-N 2 2 345.369 1.871 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](CO)CC2CCCC2)CC1 ZINC000338677788 444803584 /nfs/dbraw/zinc/80/35/84/444803584.db2.gz UEUOZLNUIFTYBM-MRXNPFEDSA-N 2 2 340.512 1.253 20 0 EDADLP COCc1cnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000342689997 444815443 /nfs/dbraw/zinc/81/54/43/444815443.db2.gz JSOAHAKDGILTBP-UHFFFAOYSA-N 2 2 325.478 1.834 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342690773 444815954 /nfs/dbraw/zinc/81/59/54/444815954.db2.gz GUJNCVIPAHKPQS-HNNXBMFYSA-N 2 2 339.386 1.702 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342766185 444856247 /nfs/dbraw/zinc/85/62/47/444856247.db2.gz SJQIZESYRKHRFC-HNNXBMFYSA-N 2 2 339.386 1.702 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(C(N)=O)CCCC2)CC1 ZINC000342789412 444868369 /nfs/dbraw/zinc/86/83/69/444868369.db2.gz YEJALWMYACMQSV-UHFFFAOYSA-N 2 2 325.453 1.039 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC000342790229 444868452 /nfs/dbraw/zinc/86/84/52/444868452.db2.gz AARPQXZBXONXMG-QGZVFWFLSA-N 2 2 349.479 1.181 20 0 EDADLP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC000342790229 444868455 /nfs/dbraw/zinc/86/84/55/444868455.db2.gz AARPQXZBXONXMG-QGZVFWFLSA-N 2 2 349.479 1.181 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000344314450 444895544 /nfs/dbraw/zinc/89/55/44/444895544.db2.gz FLSGZOJVJWAACL-UHFFFAOYSA-N 2 2 346.475 1.655 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000344341877 444906753 /nfs/dbraw/zinc/90/67/53/444906753.db2.gz CXKDNPJSLKHSSN-UHFFFAOYSA-N 2 2 333.480 1.939 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000344341877 444906757 /nfs/dbraw/zinc/90/67/57/444906757.db2.gz CXKDNPJSLKHSSN-UHFFFAOYSA-N 2 2 333.480 1.939 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000330308314 444931618 /nfs/dbraw/zinc/93/16/18/444931618.db2.gz MGCZBHNAAQKHHS-INIZCTEOSA-N 2 2 345.491 1.722 20 0 EDADLP CC(C)c1nnc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)[nH]1 ZINC000330311640 444932092 /nfs/dbraw/zinc/93/20/92/444932092.db2.gz NYHDJBGGORGUAY-UHFFFAOYSA-N 2 2 348.495 1.304 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH+](C)C ZINC000339090433 445028499 /nfs/dbraw/zinc/02/84/99/445028499.db2.gz LTVHZQWAFIEXJH-INIZCTEOSA-N 2 2 330.432 1.780 20 0 EDADLP C[N@H+](C[C@@](C)(O)C(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000337204042 444985209 /nfs/dbraw/zinc/98/52/09/444985209.db2.gz IJNUSQLUTQOTRA-CVEARBPZSA-N 2 2 346.393 1.869 20 0 EDADLP C[N@@H+](C[C@@](C)(O)C(F)(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000337204042 444985213 /nfs/dbraw/zinc/98/52/13/444985213.db2.gz IJNUSQLUTQOTRA-CVEARBPZSA-N 2 2 346.393 1.869 20 0 EDADLP C[NH+](C[C@@](C)(O)C(F)(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000337204042 444985216 /nfs/dbraw/zinc/98/52/16/444985216.db2.gz IJNUSQLUTQOTRA-CVEARBPZSA-N 2 2 346.393 1.869 20 0 EDADLP C[NH+](C[C@@](C)(O)C(F)(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000337204042 444985219 /nfs/dbraw/zinc/98/52/19/444985219.db2.gz IJNUSQLUTQOTRA-CVEARBPZSA-N 2 2 346.393 1.869 20 0 EDADLP Cc1nc2[nH]ccc2c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)[nH+]1 ZINC000344463742 444992549 /nfs/dbraw/zinc/99/25/49/444992549.db2.gz YXWHURIYZHBHAB-BBRMVZONSA-N 2 2 339.447 2.495 20 0 EDADLP Cc1nc2[nH]ccc2c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)[nH+]1 ZINC000344463742 444992551 /nfs/dbraw/zinc/99/25/51/444992551.db2.gz YXWHURIYZHBHAB-BBRMVZONSA-N 2 2 339.447 2.495 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000337283088 445014905 /nfs/dbraw/zinc/01/49/05/445014905.db2.gz KFHPDNZAQJTMOR-INIZCTEOSA-N 2 2 332.448 1.007 20 0 EDADLP C[C@@H](Cc1[nH]cc[nH+]1)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000344587380 445075925 /nfs/dbraw/zinc/07/59/25/445075925.db2.gz GRBSXBAABDCAQK-INIZCTEOSA-N 2 2 342.443 1.702 20 0 EDADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000339425954 445137482 /nfs/dbraw/zinc/13/74/82/445137482.db2.gz IFVILBWSHHIAKW-XLIONFOSSA-N 2 2 343.471 1.524 20 0 EDADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000339425954 445137485 /nfs/dbraw/zinc/13/74/85/445137485.db2.gz IFVILBWSHHIAKW-XLIONFOSSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000339425954 445137488 /nfs/dbraw/zinc/13/74/88/445137488.db2.gz IFVILBWSHHIAKW-XLIONFOSSA-N 2 2 343.471 1.524 20 0 EDADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)C1 ZINC000339425954 445137491 /nfs/dbraw/zinc/13/74/91/445137491.db2.gz IFVILBWSHHIAKW-XLIONFOSSA-N 2 2 343.471 1.524 20 0 EDADLP Cc1ncc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cn1 ZINC000339211769 445090437 /nfs/dbraw/zinc/09/04/37/445090437.db2.gz IIWZBEJJIVQVTG-UHFFFAOYSA-N 2 2 325.460 1.822 20 0 EDADLP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cn1 ZINC000339211769 445090444 /nfs/dbraw/zinc/09/04/44/445090444.db2.gz IIWZBEJJIVQVTG-UHFFFAOYSA-N 2 2 325.460 1.822 20 0 EDADLP Cc1nocc1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000339216917 445094653 /nfs/dbraw/zinc/09/46/53/445094653.db2.gz PCACAQMPJCOXDI-UHFFFAOYSA-N 2 2 329.404 1.207 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CC(C)C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339233137 445104351 /nfs/dbraw/zinc/10/43/51/445104351.db2.gz CAWLXMRUOZWPBM-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CC(C)C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339233137 445104357 /nfs/dbraw/zinc/10/43/57/445104357.db2.gz CAWLXMRUOZWPBM-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CC(C)C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339233139 445104622 /nfs/dbraw/zinc/10/46/22/445104622.db2.gz CAWLXMRUOZWPBM-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@@H](C(=O)N1CC[NH+](CC(C)C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339233139 445104625 /nfs/dbraw/zinc/10/46/25/445104625.db2.gz CAWLXMRUOZWPBM-SJORKVTESA-N 2 2 325.497 1.676 20 0 EDADLP COc1cc(NC(=O)C[NH2+]CC2([NH3+])CCC2)c(OC)cc1Cl ZINC000342094232 445168568 /nfs/dbraw/zinc/16/85/68/445168568.db2.gz FCFHIFBIHDFEFQ-UHFFFAOYSA-N 2 2 327.812 1.767 20 0 EDADLP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342098684 445171397 /nfs/dbraw/zinc/17/13/97/445171397.db2.gz IMWJZISWKQEGDK-UHFFFAOYSA-N 2 2 325.840 1.648 20 0 EDADLP O=C(NCC[NH+]1CCC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000337639193 445181659 /nfs/dbraw/zinc/18/16/59/445181659.db2.gz SIIYELZSKONELP-UHFFFAOYSA-N 2 2 332.448 1.024 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000337644483 445185270 /nfs/dbraw/zinc/18/52/70/445185270.db2.gz XATGQVZERXFEFD-ARFHVFGLSA-N 2 2 331.464 1.995 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000337644483 445185276 /nfs/dbraw/zinc/18/52/76/445185276.db2.gz XATGQVZERXFEFD-ARFHVFGLSA-N 2 2 331.464 1.995 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000345452128 445187064 /nfs/dbraw/zinc/18/70/64/445187064.db2.gz OKYDODWJEIFSCG-HWMZRRJGSA-N 2 2 336.480 1.116 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000345452128 445187066 /nfs/dbraw/zinc/18/70/66/445187066.db2.gz OKYDODWJEIFSCG-HWMZRRJGSA-N 2 2 336.480 1.116 20 0 EDADLP O[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)[C@@H]1CCOC1 ZINC000337599165 445159082 /nfs/dbraw/zinc/15/90/82/445159082.db2.gz HZJUIEAGOLOXBM-BXUZGUMPSA-N 2 2 326.360 1.020 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342077406 445159380 /nfs/dbraw/zinc/15/93/80/445159380.db2.gz BPHCMODJABNQMY-RRQGHBQHSA-N 2 2 338.473 1.528 20 0 EDADLP COc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342077406 445159381 /nfs/dbraw/zinc/15/93/81/445159381.db2.gz BPHCMODJABNQMY-RRQGHBQHSA-N 2 2 338.473 1.528 20 0 EDADLP CC[NH+](CC)CC(=O)N(C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000337601598 445160566 /nfs/dbraw/zinc/16/05/66/445160566.db2.gz OBVKAXRWIYEGDC-HUUCEWRRSA-N 2 2 339.459 1.133 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1O ZINC000343390358 445214584 /nfs/dbraw/zinc/21/45/84/445214584.db2.gz PWCWGJZADORYAX-SJKOYZFVSA-N 2 2 330.388 1.244 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343329773 445201467 /nfs/dbraw/zinc/20/14/67/445201467.db2.gz GYSZPNPZBBYTFB-INIZCTEOSA-N 2 2 342.443 1.714 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343329773 445201468 /nfs/dbraw/zinc/20/14/68/445201468.db2.gz GYSZPNPZBBYTFB-INIZCTEOSA-N 2 2 342.443 1.714 20 0 EDADLP O=C1CC[C@H]2C[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCN12 ZINC000351752150 445308510 /nfs/dbraw/zinc/30/85/10/445308510.db2.gz NOMUYVBNXQHUOJ-IBGZPJMESA-N 2 2 342.487 1.505 20 0 EDADLP O=C1CC[C@H]2C[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)CCN12 ZINC000351752150 445308511 /nfs/dbraw/zinc/30/85/11/445308511.db2.gz NOMUYVBNXQHUOJ-IBGZPJMESA-N 2 2 342.487 1.505 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC000348109403 445271801 /nfs/dbraw/zinc/27/18/01/445271801.db2.gz AUSKNZBBRHZFSZ-BPUTZDHNSA-N 2 2 349.454 1.028 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC000348109403 445271803 /nfs/dbraw/zinc/27/18/03/445271803.db2.gz AUSKNZBBRHZFSZ-BPUTZDHNSA-N 2 2 349.454 1.028 20 0 EDADLP CCOC(=O)[C@H](CC)[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348113743 445274766 /nfs/dbraw/zinc/27/47/66/445274766.db2.gz ANXBXCKVRFVQQZ-ILXRZTDVSA-N 2 2 340.443 1.606 20 0 EDADLP CCOC(=O)[C@H](CC)[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348113743 445274769 /nfs/dbraw/zinc/27/47/69/445274769.db2.gz ANXBXCKVRFVQQZ-ILXRZTDVSA-N 2 2 340.443 1.606 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC000348397650 445276187 /nfs/dbraw/zinc/27/61/87/445276187.db2.gz AFNOVJNDWYMCEA-LSDHHAIUSA-N 2 2 338.452 1.107 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)o1 ZINC000348397650 445276189 /nfs/dbraw/zinc/27/61/89/445276189.db2.gz AFNOVJNDWYMCEA-LSDHHAIUSA-N 2 2 338.452 1.107 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCOCC(F)F ZINC000348116636 445276721 /nfs/dbraw/zinc/27/67/21/445276721.db2.gz GXGDCLUSTQOIHT-STQMWFEESA-N 2 2 334.386 1.546 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCOCC(F)F ZINC000348116636 445276722 /nfs/dbraw/zinc/27/67/22/445276722.db2.gz GXGDCLUSTQOIHT-STQMWFEESA-N 2 2 334.386 1.546 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1ncc(C[NH+](C)C)s1 ZINC000348416383 445283475 /nfs/dbraw/zinc/28/34/75/445283475.db2.gz YSAHCZYMFQEYML-UHFFFAOYSA-N 2 2 326.510 1.747 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)Cc1ncc(C[NH+](C)C)s1 ZINC000348416383 445283478 /nfs/dbraw/zinc/28/34/78/445283478.db2.gz YSAHCZYMFQEYML-UHFFFAOYSA-N 2 2 326.510 1.747 20 0 EDADLP COC(=O)C(C)(C)CCNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000354551224 445290749 /nfs/dbraw/zinc/29/07/49/445290749.db2.gz YJASMJSYFNUAGR-OAHLLOKOSA-N 2 2 334.464 2.223 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000348586214 445332965 /nfs/dbraw/zinc/33/29/65/445332965.db2.gz FMDKMOWHEJNZFP-KSZLIROESA-N 2 2 329.444 1.192 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000348586214 445332968 /nfs/dbraw/zinc/33/29/68/445332968.db2.gz FMDKMOWHEJNZFP-KSZLIROESA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000348586214 445332970 /nfs/dbraw/zinc/33/29/70/445332970.db2.gz FMDKMOWHEJNZFP-KSZLIROESA-N 2 2 329.444 1.192 20 0 EDADLP C[NH+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)[C@@H]2C1 ZINC000348586214 445332973 /nfs/dbraw/zinc/33/29/73/445332973.db2.gz FMDKMOWHEJNZFP-KSZLIROESA-N 2 2 329.444 1.192 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H]1c1ccccc1 ZINC000348861477 445420405 /nfs/dbraw/zinc/42/04/05/445420405.db2.gz QTJSUTSGLWNGMU-IEBWSBKVSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H]1c1ccccc1 ZINC000348861477 445420406 /nfs/dbraw/zinc/42/04/06/445420406.db2.gz QTJSUTSGLWNGMU-IEBWSBKVSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)Cc2[nH+]c[nH]c2C)[C@H]1c1ccccc1 ZINC000348861477 445420408 /nfs/dbraw/zinc/42/04/08/445420408.db2.gz QTJSUTSGLWNGMU-IEBWSBKVSA-N 2 2 342.443 1.839 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)Cc2[nH+]c[nH]c2C)[C@H]1c1ccccc1 ZINC000348861477 445420409 /nfs/dbraw/zinc/42/04/09/445420409.db2.gz QTJSUTSGLWNGMU-IEBWSBKVSA-N 2 2 342.443 1.839 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357090219 445421740 /nfs/dbraw/zinc/42/17/40/445421740.db2.gz ZXOGGRFAQBLHLK-RDBSUJKOSA-N 2 2 337.414 1.553 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357090219 445421742 /nfs/dbraw/zinc/42/17/42/445421742.db2.gz ZXOGGRFAQBLHLK-RDBSUJKOSA-N 2 2 337.414 1.553 20 0 EDADLP C[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000348870927 445424948 /nfs/dbraw/zinc/42/49/48/445424948.db2.gz GKKFGKCVVKPVRW-KRWDZBQOSA-N 2 2 344.503 1.187 20 0 EDADLP C[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)[NH+]1CCN(C)CC1 ZINC000348870927 445424952 /nfs/dbraw/zinc/42/49/52/445424952.db2.gz GKKFGKCVVKPVRW-KRWDZBQOSA-N 2 2 344.503 1.187 20 0 EDADLP CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000354871665 445430430 /nfs/dbraw/zinc/43/04/30/445430430.db2.gz XABKYALZBLSNLG-ZDUSSCGKSA-N 2 2 345.447 1.818 20 0 EDADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000354871665 445430434 /nfs/dbraw/zinc/43/04/34/445430434.db2.gz XABKYALZBLSNLG-ZDUSSCGKSA-N 2 2 345.447 1.818 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCOCC[C@H]3C)CC2)c1 ZINC000362470358 445398895 /nfs/dbraw/zinc/39/88/95/445398895.db2.gz FEXWZGRCXNZKMI-GOSISDBHSA-N 2 2 345.487 1.750 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCOCC[C@H]3C)CC2)c1 ZINC000362470358 445398899 /nfs/dbraw/zinc/39/88/99/445398899.db2.gz FEXWZGRCXNZKMI-GOSISDBHSA-N 2 2 345.487 1.750 20 0 EDADLP COC(=O)c1occc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362643230 445476027 /nfs/dbraw/zinc/47/60/27/445476027.db2.gz VPLGOMLKLRWFBI-AWEZNQCLSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1occc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362643230 445476029 /nfs/dbraw/zinc/47/60/29/445476029.db2.gz VPLGOMLKLRWFBI-AWEZNQCLSA-N 2 2 335.448 1.667 20 0 EDADLP CSCC[C@@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000352052627 445461538 /nfs/dbraw/zinc/46/15/38/445461538.db2.gz MVFYLKZWQVYPCE-OAHLLOKOSA-N 2 2 343.537 1.167 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCOC1C[NH2+]C1 ZINC000348989187 445467104 /nfs/dbraw/zinc/46/71/04/445467104.db2.gz CNELDGXIIFTIAE-UHFFFAOYSA-N 2 2 333.432 1.144 20 0 EDADLP C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000349109409 445509932 /nfs/dbraw/zinc/50/99/32/445509932.db2.gz MYBMHVWVYOLBQV-MSOLQXFVSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000349109409 445509937 /nfs/dbraw/zinc/50/99/37/445509937.db2.gz MYBMHVWVYOLBQV-MSOLQXFVSA-N 2 2 344.503 1.355 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1[NH+]1CCCC1 ZINC000352472773 445532458 /nfs/dbraw/zinc/53/24/58/445532458.db2.gz JYLUCIFLLJRAIO-VNQPRFMTSA-N 2 2 334.489 1.484 20 0 EDADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000359924672 445491025 /nfs/dbraw/zinc/49/10/25/445491025.db2.gz OKKYOQJDLIQBCT-JKSUJKDBSA-N 2 2 328.501 1.469 20 0 EDADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000359924672 445491027 /nfs/dbraw/zinc/49/10/27/445491027.db2.gz OKKYOQJDLIQBCT-JKSUJKDBSA-N 2 2 328.501 1.469 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000362688987 445501317 /nfs/dbraw/zinc/50/13/17/445501317.db2.gz MMHMIWFJAQUGDA-MRXNPFEDSA-N 2 2 341.496 1.057 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000349412083 445581239 /nfs/dbraw/zinc/58/12/39/445581239.db2.gz LVSCPIPECGRRKU-NVXWUHKLSA-N 2 2 332.448 1.159 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000362863021 445585969 /nfs/dbraw/zinc/58/59/69/445585969.db2.gz IJJCVGOXGPCPPB-OAHLLOKOSA-N 2 2 348.447 1.391 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000362863021 445585973 /nfs/dbraw/zinc/58/59/73/445585973.db2.gz IJJCVGOXGPCPPB-OAHLLOKOSA-N 2 2 348.447 1.391 20 0 EDADLP COCC[N@@H+]1CC[C@H](N[C@@H](C)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000360036141 445538638 /nfs/dbraw/zinc/53/86/38/445538638.db2.gz LVPMMMOFRZXUBE-IHPCNDPISA-N 2 2 347.503 1.586 20 0 EDADLP COCC[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000360036141 445538644 /nfs/dbraw/zinc/53/86/44/445538644.db2.gz LVPMMMOFRZXUBE-IHPCNDPISA-N 2 2 347.503 1.586 20 0 EDADLP COCC[NH+]1CC[C@H](N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000360036141 445538652 /nfs/dbraw/zinc/53/86/52/445538652.db2.gz LVPMMMOFRZXUBE-IHPCNDPISA-N 2 2 347.503 1.586 20 0 EDADLP COCC[NH+]1CC[C@H](N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000360036141 445538656 /nfs/dbraw/zinc/53/86/56/445538656.db2.gz LVPMMMOFRZXUBE-IHPCNDPISA-N 2 2 347.503 1.586 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000353442302 445604784 /nfs/dbraw/zinc/60/47/84/445604784.db2.gz BJZHVWFZCGVRPX-UKRRQHHQSA-N 2 2 343.830 1.533 20 0 EDADLP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000353442302 445604788 /nfs/dbraw/zinc/60/47/88/445604788.db2.gz BJZHVWFZCGVRPX-UKRRQHHQSA-N 2 2 343.830 1.533 20 0 EDADLP CCC1(C)CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000358151736 445607867 /nfs/dbraw/zinc/60/78/67/445607867.db2.gz GCOJVYOTZHESTG-HFCFLWKCSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000353462330 445612867 /nfs/dbraw/zinc/61/28/67/445612867.db2.gz IQUFDXYVQYRZQY-KGLIPLIRSA-N 2 2 326.400 1.936 20 0 EDADLP Cc1cn2cc(NC(=O)NC3CCN(CC[NH+](C)C)CC3)ccc2[nH+]1 ZINC000349457527 445593568 /nfs/dbraw/zinc/59/35/68/445593568.db2.gz TVDCCUISECTHIZ-UHFFFAOYSA-N 2 2 344.463 1.790 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000360226314 445640974 /nfs/dbraw/zinc/64/09/74/445640974.db2.gz WCHSYCSJYJQORF-WBVHZDCISA-N 2 2 332.448 1.008 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000360226314 445640982 /nfs/dbraw/zinc/64/09/82/445640982.db2.gz WCHSYCSJYJQORF-WBVHZDCISA-N 2 2 332.448 1.008 20 0 EDADLP CC[NH+](CC)CC(=O)N1CCCN(Cc2[nH+]ccn2C(C)C)CC1 ZINC000363096743 445676798 /nfs/dbraw/zinc/67/67/98/445676798.db2.gz DCPCECCBTGPUAJ-UHFFFAOYSA-N 2 2 335.496 1.840 20 0 EDADLP C[N@H+](C1CC[NH+](CCO)CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000360285953 445677480 /nfs/dbraw/zinc/67/74/80/445677480.db2.gz MBQDXCCENOVZHX-SFHVURJKSA-N 2 2 331.460 1.571 20 0 EDADLP C[N@@H+](C1CC[NH+](CCO)CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000360285953 445677483 /nfs/dbraw/zinc/67/74/83/445677483.db2.gz MBQDXCCENOVZHX-SFHVURJKSA-N 2 2 331.460 1.571 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC[N@@H+]1C ZINC000353688937 445707791 /nfs/dbraw/zinc/70/77/91/445707791.db2.gz BGDKBQBGVHYIHN-RDJZCZTQSA-N 2 2 331.460 1.767 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC[N@H+]1C ZINC000353688937 445707793 /nfs/dbraw/zinc/70/77/93/445707793.db2.gz BGDKBQBGVHYIHN-RDJZCZTQSA-N 2 2 331.460 1.767 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000363218035 445726677 /nfs/dbraw/zinc/72/66/77/445726677.db2.gz DZLMYPJLHIOXSE-QGZVFWFLSA-N 2 2 333.476 1.916 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000363218035 445726682 /nfs/dbraw/zinc/72/66/82/445726682.db2.gz DZLMYPJLHIOXSE-QGZVFWFLSA-N 2 2 333.476 1.916 20 0 EDADLP CCCC[C@H](COC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363236322 445735297 /nfs/dbraw/zinc/73/52/97/445735297.db2.gz OZQPZLXTJCZKEK-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP CCCC[C@H](COC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363236322 445735300 /nfs/dbraw/zinc/73/53/00/445735300.db2.gz OZQPZLXTJCZKEK-JKSUJKDBSA-N 2 2 340.512 1.659 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C2 ZINC000363249052 445739683 /nfs/dbraw/zinc/73/96/83/445739683.db2.gz RHBQDBJBTHWJPY-ZIAGYGMSSA-N 2 2 349.479 1.524 20 0 EDADLP COCC[N@H+](C)CCOc1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000360999435 445743707 /nfs/dbraw/zinc/74/37/07/445743707.db2.gz UGLYPDCZSWPEJA-UHFFFAOYSA-N 2 2 330.432 2.354 20 0 EDADLP COCC[N@@H+](C)CCOc1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000360999435 445743712 /nfs/dbraw/zinc/74/37/12/445743712.db2.gz UGLYPDCZSWPEJA-UHFFFAOYSA-N 2 2 330.432 2.354 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000353772048 445747955 /nfs/dbraw/zinc/74/79/55/445747955.db2.gz XRQOAJLYOZIZLO-UHFFFAOYSA-N 2 2 340.431 1.851 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nccs2)C1 ZINC000350362878 445817117 /nfs/dbraw/zinc/81/71/17/445817117.db2.gz GENVVZKLMMIHCX-KGLIPLIRSA-N 2 2 340.493 1.903 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2nccs2)C1 ZINC000350362878 445817119 /nfs/dbraw/zinc/81/71/19/445817119.db2.gz GENVVZKLMMIHCX-KGLIPLIRSA-N 2 2 340.493 1.903 20 0 EDADLP C[C@H](CNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1)C[NH+]1CCOCC1 ZINC000363351606 445777000 /nfs/dbraw/zinc/77/70/00/445777000.db2.gz GPEJMFUJOQKZRN-SJORKVTESA-N 2 2 346.475 1.383 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363496179 445832288 /nfs/dbraw/zinc/83/22/88/445832288.db2.gz ODHIKYQJHYJWEA-IRXDYDNUSA-N 2 2 345.491 1.050 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)NCCc2cn3ccccc3[nH+]2)CCCSC1 ZINC000363436029 445801564 /nfs/dbraw/zinc/80/15/64/445801564.db2.gz IMAAXKRYPPLDDN-KRWDZBQOSA-N 2 2 332.473 1.820 20 0 EDADLP C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000363443008 445805077 /nfs/dbraw/zinc/80/50/77/445805077.db2.gz USDFQQBWDNUTSE-GJZGRUSLSA-N 2 2 333.480 1.183 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000582041471 325758043 /nfs/dbraw/zinc/75/80/43/325758043.db2.gz RVOWJHUWLUQHBG-HUUCEWRRSA-N 2 2 327.432 1.896 20 0 EDADLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)[NH+](C)C)cc1 ZINC000582057642 325762367 /nfs/dbraw/zinc/76/23/67/325762367.db2.gz YIFOBUYLHPSZJV-PKOBYXMFSA-N 2 2 336.476 1.744 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]2CCOCC2)c(C)c1 ZINC000582058345 325763635 /nfs/dbraw/zinc/76/36/35/325763635.db2.gz XLLQJPJDIXNCHQ-WMZOPIPTSA-N 2 2 336.476 1.601 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000359075461 445928853 /nfs/dbraw/zinc/92/88/53/445928853.db2.gz MZZKFZSWVPCPDQ-GOSISDBHSA-N 2 2 339.524 1.972 20 0 EDADLP COCC[N@@H+]1CCCN(C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000354091546 445897131 /nfs/dbraw/zinc/89/71/31/445897131.db2.gz LMWPJFHWUIKUKB-UHFFFAOYSA-N 2 2 344.459 1.916 20 0 EDADLP COCC[N@H+]1CCCN(C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000354091546 445897134 /nfs/dbraw/zinc/89/71/34/445897134.db2.gz LMWPJFHWUIKUKB-UHFFFAOYSA-N 2 2 344.459 1.916 20 0 EDADLP CN(C(=O)[C@H]1CCCn2ccnc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364344165 445912332 /nfs/dbraw/zinc/91/23/32/445912332.db2.gz JYJYUHJPSJGGBG-SJORKVTESA-N 2 2 345.491 1.387 20 0 EDADLP CN(C(=O)[C@H]1CCCn2ccnc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364344165 445912337 /nfs/dbraw/zinc/91/23/37/445912337.db2.gz JYJYUHJPSJGGBG-SJORKVTESA-N 2 2 345.491 1.387 20 0 EDADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C[C@@H]21 ZINC000365039416 445986575 /nfs/dbraw/zinc/98/65/75/445986575.db2.gz FJFCBGMORAQQKS-OAGGEKHMSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)C[C@@H]21 ZINC000365039416 445986580 /nfs/dbraw/zinc/98/65/80/445986580.db2.gz FJFCBGMORAQQKS-OAGGEKHMSA-N 2 2 331.464 1.358 20 0 EDADLP COCCC(=O)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361845376 445999907 /nfs/dbraw/zinc/99/99/07/445999907.db2.gz ZDHBWOBZUKIENK-UHFFFAOYSA-N 2 2 342.443 1.861 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000373118559 446041725 /nfs/dbraw/zinc/04/17/25/446041725.db2.gz SPWNSEHATGVMFZ-HIFRSBDPSA-N 2 2 340.464 1.343 20 0 EDADLP COC(=O)[C@@H](C(OC)OC)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373118559 446041728 /nfs/dbraw/zinc/04/17/28/446041728.db2.gz SPWNSEHATGVMFZ-HIFRSBDPSA-N 2 2 340.464 1.343 20 0 EDADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2nccn2c1 ZINC000625562304 450428600 /nfs/dbraw/zinc/42/86/00/450428600.db2.gz YUESAMGUTUCDMM-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2nccn2c1 ZINC000625562304 450428604 /nfs/dbraw/zinc/42/86/04/450428604.db2.gz YUESAMGUTUCDMM-UHFFFAOYSA-N 2 2 343.475 1.741 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)c1ccc2[nH+]c(C)n(C)c2c1 ZINC000356781596 446013904 /nfs/dbraw/zinc/01/39/04/446013904.db2.gz SYKVYGWWQAYTII-UHFFFAOYSA-N 2 2 332.448 1.970 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)C2)nn1 ZINC000583131522 326007917 /nfs/dbraw/zinc/00/79/17/326007917.db2.gz QBZIZBDDMOQEOS-OAHLLOKOSA-N 2 2 345.838 1.875 20 0 EDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)C2)nn1 ZINC000583131522 326007920 /nfs/dbraw/zinc/00/79/20/326007920.db2.gz QBZIZBDDMOQEOS-OAHLLOKOSA-N 2 2 345.838 1.875 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCN2CCc3ccccc32)C[C@H](C)O1 ZINC000583138897 326010227 /nfs/dbraw/zinc/01/02/27/326010227.db2.gz NUHGKTSGNFHBFH-ZIFCJYIRSA-N 2 2 347.503 1.499 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCN2CCc3ccccc32)C[C@H](C)O1 ZINC000583138897 326010229 /nfs/dbraw/zinc/01/02/29/326010229.db2.gz NUHGKTSGNFHBFH-ZIFCJYIRSA-N 2 2 347.503 1.499 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000583152164 326014433 /nfs/dbraw/zinc/01/44/33/326014433.db2.gz RDGMJBCVNRQFPP-HNNXBMFYSA-N 2 2 341.883 1.854 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000583152164 326014438 /nfs/dbraw/zinc/01/44/38/326014438.db2.gz RDGMJBCVNRQFPP-HNNXBMFYSA-N 2 2 341.883 1.854 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000583198818 326024548 /nfs/dbraw/zinc/02/45/48/326024548.db2.gz JLYBHMVHQJDNAW-JTDSTZFVSA-N 3 2 335.492 1.308 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000583198818 326024550 /nfs/dbraw/zinc/02/45/50/326024550.db2.gz JLYBHMVHQJDNAW-JTDSTZFVSA-N 3 2 335.492 1.308 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583218782 326029367 /nfs/dbraw/zinc/02/93/67/326029367.db2.gz KBOCIZHXHXFRCJ-OAGGEKHMSA-N 2 2 325.497 1.673 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583218782 326029368 /nfs/dbraw/zinc/02/93/68/326029368.db2.gz KBOCIZHXHXFRCJ-OAGGEKHMSA-N 2 2 325.497 1.673 20 0 EDADLP C[N@H+](C[C@H](O)CN1CC[NH+](Cc2ccc(Cl)s2)CC1)C1CC1 ZINC000351379526 446050175 /nfs/dbraw/zinc/05/01/75/446050175.db2.gz CQSLEJLPOIHXBB-AWEZNQCLSA-N 2 2 343.924 1.974 20 0 EDADLP C[N@@H+](C[C@H](O)CN1CC[NH+](Cc2ccc(Cl)s2)CC1)C1CC1 ZINC000351379526 446050180 /nfs/dbraw/zinc/05/01/80/446050180.db2.gz CQSLEJLPOIHXBB-AWEZNQCLSA-N 2 2 343.924 1.974 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000583541791 326091044 /nfs/dbraw/zinc/09/10/44/326091044.db2.gz DXXXIZJLMKQMOZ-NVXWUHKLSA-N 2 2 340.427 1.651 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000583541791 326091047 /nfs/dbraw/zinc/09/10/47/326091047.db2.gz DXXXIZJLMKQMOZ-NVXWUHKLSA-N 2 2 340.427 1.651 20 0 EDADLP [NH3+]CCC1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000584178316 326215578 /nfs/dbraw/zinc/21/55/78/326215578.db2.gz MKMLDEGRZCMWDO-UHFFFAOYSA-N 2 2 341.415 1.398 20 0 EDADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC[C@H]1Cc2ccccc2O1 ZINC000584232153 326225597 /nfs/dbraw/zinc/22/55/97/326225597.db2.gz GYRCRSRGSDBRCX-VQIMIIECSA-N 2 2 329.444 1.182 20 0 EDADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC[C@H]1Cc2ccccc2O1 ZINC000584232153 326225598 /nfs/dbraw/zinc/22/55/98/326225598.db2.gz GYRCRSRGSDBRCX-VQIMIIECSA-N 2 2 329.444 1.182 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](F)C[NH+]1Cc1cccs1 ZINC000351474324 446075054 /nfs/dbraw/zinc/07/50/54/446075054.db2.gz YMIHUGPQCUVPPS-GZBFAFLISA-N 2 2 325.453 1.871 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](F)C[NH+]1Cc1cccs1 ZINC000351474324 446075058 /nfs/dbraw/zinc/07/50/58/446075058.db2.gz YMIHUGPQCUVPPS-GZBFAFLISA-N 2 2 325.453 1.871 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000351474324 446075059 /nfs/dbraw/zinc/07/50/59/446075059.db2.gz YMIHUGPQCUVPPS-GZBFAFLISA-N 2 2 325.453 1.871 20 0 EDADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000351474324 446075062 /nfs/dbraw/zinc/07/50/62/446075062.db2.gz YMIHUGPQCUVPPS-GZBFAFLISA-N 2 2 325.453 1.871 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)C1 ZINC000369328738 446076852 /nfs/dbraw/zinc/07/68/52/446076852.db2.gz CSQCIMHVOIMRDO-KRWDZBQOSA-N 2 2 333.432 1.481 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)C1 ZINC000369328738 446076860 /nfs/dbraw/zinc/07/68/60/446076860.db2.gz CSQCIMHVOIMRDO-KRWDZBQOSA-N 2 2 333.432 1.481 20 0 EDADLP CCCS(=O)(=O)CC[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000373185970 446085150 /nfs/dbraw/zinc/08/51/50/446085150.db2.gz MOQGQVAHKAXUCK-UHFFFAOYSA-N 2 2 332.510 1.246 20 0 EDADLP CCc1nnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1CC ZINC000365232818 446092517 /nfs/dbraw/zinc/09/25/17/446092517.db2.gz RUSZMSFGXOUEAJ-CQSZACIVSA-N 2 2 332.496 1.601 20 0 EDADLP CCc1nnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1CC ZINC000365232818 446092520 /nfs/dbraw/zinc/09/25/20/446092520.db2.gz RUSZMSFGXOUEAJ-CQSZACIVSA-N 2 2 332.496 1.601 20 0 EDADLP c1cncc(C[NH+]2CCC([NH2+]CC3(N4CCOCC4)CC3)CC2)c1 ZINC000373205768 446094279 /nfs/dbraw/zinc/09/42/79/446094279.db2.gz RQEYILHWEJNDHS-UHFFFAOYSA-N 2 2 330.476 1.500 20 0 EDADLP CC[C@H]1C[C@H](CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000359259506 446094836 /nfs/dbraw/zinc/09/48/36/446094836.db2.gz JVIBAOYHCSTMOP-WBVHZDCISA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000354358903 446140615 /nfs/dbraw/zinc/14/06/15/446140615.db2.gz WUDAOEVOXQZUPE-NUJGCVRESA-N 2 2 337.508 1.817 20 0 EDADLP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359285044 446119863 /nfs/dbraw/zinc/11/98/63/446119863.db2.gz LJBYDVODVFZXHN-RBSFLKMASA-N 2 2 342.443 1.292 20 0 EDADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000366278316 446124103 /nfs/dbraw/zinc/12/41/03/446124103.db2.gz AXWKSHGRDYTNIO-LJQANCHMSA-N 2 2 343.471 1.551 20 0 EDADLP CC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C(C)C ZINC000356918752 446124652 /nfs/dbraw/zinc/12/46/52/446124652.db2.gz MMYDEGLEURQXDZ-APWZRJJASA-N 2 2 346.475 1.854 20 0 EDADLP CC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C(C)C ZINC000356918752 446124659 /nfs/dbraw/zinc/12/46/59/446124659.db2.gz MMYDEGLEURQXDZ-APWZRJJASA-N 2 2 346.475 1.854 20 0 EDADLP CC(C)c1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)nc(N(C)C)[nH+]1 ZINC000351588617 446186641 /nfs/dbraw/zinc/18/66/41/446186641.db2.gz WSBQEHPVFFYIRX-OAHLLOKOSA-N 2 2 334.512 2.104 20 0 EDADLP CC(C)c1cc(N[C@H](C)CCN2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000351588617 446186647 /nfs/dbraw/zinc/18/66/47/446186647.db2.gz WSBQEHPVFFYIRX-OAHLLOKOSA-N 2 2 334.512 2.104 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000359386741 446190981 /nfs/dbraw/zinc/19/09/81/446190981.db2.gz LLSVMRCVNNEIGK-ZFWWWQNUSA-N 2 2 341.477 1.095 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000359386741 446190987 /nfs/dbraw/zinc/19/09/87/446190987.db2.gz LLSVMRCVNNEIGK-ZFWWWQNUSA-N 2 2 341.477 1.095 20 0 EDADLP CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351559781 446157051 /nfs/dbraw/zinc/15/70/51/446157051.db2.gz BBGLHUKTZXEBKA-UHFFFAOYSA-N 2 2 348.472 1.688 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000373511117 446243812 /nfs/dbraw/zinc/24/38/12/446243812.db2.gz WOUUXMCIFWUBES-IAGOWNOFSA-N 2 2 332.448 1.690 20 0 EDADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000373511117 446243816 /nfs/dbraw/zinc/24/38/16/446243816.db2.gz WOUUXMCIFWUBES-IAGOWNOFSA-N 2 2 332.448 1.690 20 0 EDADLP CSCCONC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000373400447 446201006 /nfs/dbraw/zinc/20/10/06/446201006.db2.gz QFRIWBHDZBQUTQ-UHFFFAOYSA-N 2 2 344.525 1.531 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000366449689 446219968 /nfs/dbraw/zinc/21/99/68/446219968.db2.gz GQBSOJMPCUGFND-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000366449689 446219976 /nfs/dbraw/zinc/21/99/76/446219976.db2.gz GQBSOJMPCUGFND-IRXDYDNUSA-N 2 2 336.480 1.119 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366498541 446238646 /nfs/dbraw/zinc/23/86/46/446238646.db2.gz UFAHUJWOVGHCOY-IBGZPJMESA-N 2 2 331.460 1.382 20 0 EDADLP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366498541 446238652 /nfs/dbraw/zinc/23/86/52/446238652.db2.gz UFAHUJWOVGHCOY-IBGZPJMESA-N 2 2 331.460 1.382 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366498541 446238656 /nfs/dbraw/zinc/23/86/56/446238656.db2.gz UFAHUJWOVGHCOY-IBGZPJMESA-N 2 2 331.460 1.382 20 0 EDADLP COc1ccccc1CCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366498541 446238661 /nfs/dbraw/zinc/23/86/61/446238661.db2.gz UFAHUJWOVGHCOY-IBGZPJMESA-N 2 2 331.460 1.382 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC000362183142 446250590 /nfs/dbraw/zinc/25/05/90/446250590.db2.gz OAJQJZPVQYNCDP-QFBILLFUSA-N 2 2 331.460 1.349 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC000362183142 446250594 /nfs/dbraw/zinc/25/05/94/446250594.db2.gz OAJQJZPVQYNCDP-QFBILLFUSA-N 2 2 331.460 1.349 20 0 EDADLP Cc1cnccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373543134 446254918 /nfs/dbraw/zinc/25/49/18/446254918.db2.gz HQVXRMIKHXNNAS-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1cnccc1CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373543134 446254920 /nfs/dbraw/zinc/25/49/20/446254920.db2.gz HQVXRMIKHXNNAS-SFHVURJKSA-N 2 2 345.491 1.700 20 0 EDADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000359521532 446273620 /nfs/dbraw/zinc/27/36/20/446273620.db2.gz NJZQEUXVJMRTNS-MRXNPFEDSA-N 2 2 340.493 1.518 20 0 EDADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000359521532 446273623 /nfs/dbraw/zinc/27/36/23/446273623.db2.gz NJZQEUXVJMRTNS-MRXNPFEDSA-N 2 2 340.493 1.518 20 0 EDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000366635249 446288438 /nfs/dbraw/zinc/28/84/38/446288438.db2.gz XCKDQMWJOGGXFX-JLSDUUJJSA-N 2 2 328.460 1.645 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000366672638 446303907 /nfs/dbraw/zinc/30/39/07/446303907.db2.gz CEXFNMRHAFWYLI-SJLPKXTDSA-N 2 2 346.475 1.271 20 0 EDADLP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000366672638 446303913 /nfs/dbraw/zinc/30/39/13/446303913.db2.gz CEXFNMRHAFWYLI-SJLPKXTDSA-N 2 2 346.475 1.271 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000366700385 446315687 /nfs/dbraw/zinc/31/56/87/446315687.db2.gz KZOJEXDBIRJWIN-JKSUJKDBSA-N 2 2 343.537 1.607 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000366700385 446315690 /nfs/dbraw/zinc/31/56/90/446315690.db2.gz KZOJEXDBIRJWIN-JKSUJKDBSA-N 2 2 343.537 1.607 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)CO[C@H](C)COC)C1 ZINC000365731133 446319360 /nfs/dbraw/zinc/31/93/60/446319360.db2.gz CBMQCTHFQFVMED-BZUAXINKSA-N 2 2 325.453 1.495 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)CO[C@H](C)COC)C1 ZINC000365731133 446319362 /nfs/dbraw/zinc/31/93/62/446319362.db2.gz CBMQCTHFQFVMED-BZUAXINKSA-N 2 2 325.453 1.495 20 0 EDADLP CC(C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000370649131 446372116 /nfs/dbraw/zinc/37/21/16/446372116.db2.gz WZIOVJUUPJXZMV-HZPDHXFCSA-N 2 2 331.416 1.708 20 0 EDADLP CC(C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000370649131 446372121 /nfs/dbraw/zinc/37/21/21/446372121.db2.gz WZIOVJUUPJXZMV-HZPDHXFCSA-N 2 2 331.416 1.708 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CC[NH+]([C@H]4CCOC4)CC3)nc[nH+]2)C1 ZINC000366841552 446376779 /nfs/dbraw/zinc/37/67/79/446376779.db2.gz BDGYLAIQHGIXFZ-HOTGVXAUSA-N 2 2 331.464 1.624 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000366850760 446382665 /nfs/dbraw/zinc/38/26/65/446382665.db2.gz MHLBHZPIEHRPLY-UHFFFAOYSA-N 2 2 347.507 1.576 20 0 EDADLP COCCC[N@H+](C)CCN[C@@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000370679028 446383238 /nfs/dbraw/zinc/38/32/38/446383238.db2.gz JFPJFJJUSONQBY-ICSRJNTNSA-N 2 2 349.519 1.834 20 0 EDADLP COCCC[N@@H+](C)CCN[C@@H](C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000370679028 446383240 /nfs/dbraw/zinc/38/32/40/446383240.db2.gz JFPJFJJUSONQBY-ICSRJNTNSA-N 2 2 349.519 1.834 20 0 EDADLP COCCC[NH+](C)CCN[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000370679028 446383246 /nfs/dbraw/zinc/38/32/46/446383246.db2.gz JFPJFJJUSONQBY-ICSRJNTNSA-N 2 2 349.519 1.834 20 0 EDADLP COCCC[NH+](C)CCN[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000370679028 446383252 /nfs/dbraw/zinc/38/32/52/446383252.db2.gz JFPJFJJUSONQBY-ICSRJNTNSA-N 2 2 349.519 1.834 20 0 EDADLP NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000365881991 446385293 /nfs/dbraw/zinc/38/52/93/446385293.db2.gz APQXDHSXNXRHQV-PMPSAXMXSA-N 2 2 325.416 1.886 20 0 EDADLP NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000365881991 446385297 /nfs/dbraw/zinc/38/52/97/446385297.db2.gz APQXDHSXNXRHQV-PMPSAXMXSA-N 2 2 325.416 1.886 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000417940506 446393112 /nfs/dbraw/zinc/39/31/12/446393112.db2.gz XYFMIERAPCMMFC-QWHCGFSZSA-N 2 2 346.809 1.978 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)NCC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000417940506 446393117 /nfs/dbraw/zinc/39/31/17/446393117.db2.gz XYFMIERAPCMMFC-QWHCGFSZSA-N 2 2 346.809 1.978 20 0 EDADLP COC[C@]1(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CCC[NH2+]1 ZINC000420247640 446430717 /nfs/dbraw/zinc/43/07/17/446430717.db2.gz HDIXNHNKLLSMEB-RHSMWYFYSA-N 2 2 335.452 1.008 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000411232085 446435045 /nfs/dbraw/zinc/43/50/45/446435045.db2.gz VEYMCWXLXUXYNE-HIFRSBDPSA-N 2 2 348.447 1.171 20 0 EDADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000423147375 446439778 /nfs/dbraw/zinc/43/97/78/446439778.db2.gz RWGPCRZELQJDFA-GOEBONIOSA-N 2 2 348.834 1.909 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279886 446448288 /nfs/dbraw/zinc/44/82/88/446448288.db2.gz XQHRJRFDGLYOAW-FUHWJXTLSA-N 3 2 332.492 1.337 20 0 EDADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279886 446448290 /nfs/dbraw/zinc/44/82/90/446448290.db2.gz XQHRJRFDGLYOAW-FUHWJXTLSA-N 3 2 332.492 1.337 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417984208 446406595 /nfs/dbraw/zinc/40/65/95/446406595.db2.gz CXRBXTFZPGNHJF-PKPZWWHKSA-N 2 2 344.381 1.886 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000417984208 446406597 /nfs/dbraw/zinc/40/65/97/446406597.db2.gz CXRBXTFZPGNHJF-PKPZWWHKSA-N 2 2 344.381 1.886 20 0 EDADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000366908307 446406677 /nfs/dbraw/zinc/40/66/77/446406677.db2.gz CTQLPCDBXNIQBG-UHFFFAOYSA-N 2 2 346.475 1.620 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376286901 446414995 /nfs/dbraw/zinc/41/49/95/446414995.db2.gz BIROWPIWQIQLEZ-HOCLYGCPSA-N 2 2 335.452 1.086 20 0 EDADLP COCCC(C)(C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376295904 446418181 /nfs/dbraw/zinc/41/81/81/446418181.db2.gz JUKMSHNYWWGKIC-OAHLLOKOSA-N 2 2 325.497 1.676 20 0 EDADLP COCCC(C)(C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376295904 446418183 /nfs/dbraw/zinc/41/81/83/446418183.db2.gz JUKMSHNYWWGKIC-OAHLLOKOSA-N 2 2 325.497 1.676 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1 ZINC000370768460 446426877 /nfs/dbraw/zinc/42/68/77/446426877.db2.gz SYDJCKLLACTBAD-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1 ZINC000370768460 446426879 /nfs/dbraw/zinc/42/68/79/446426879.db2.gz SYDJCKLLACTBAD-INIZCTEOSA-N 2 2 341.496 1.057 20 0 EDADLP CN(C(=O)CCc1ccncc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831213 446466006 /nfs/dbraw/zinc/46/60/06/446466006.db2.gz SRTLGTMMLPMPRC-GOSISDBHSA-N 2 2 330.476 1.641 20 0 EDADLP CN(C(=O)CCc1ccncc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831213 446466010 /nfs/dbraw/zinc/46/60/10/446466010.db2.gz SRTLGTMMLPMPRC-GOSISDBHSA-N 2 2 330.476 1.641 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420316397 446481363 /nfs/dbraw/zinc/48/13/63/446481363.db2.gz YCBUVOLKKZLUIZ-QEJZJMRPSA-N 2 2 331.416 1.105 20 0 EDADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420316397 446481369 /nfs/dbraw/zinc/48/13/69/446481369.db2.gz YCBUVOLKKZLUIZ-QEJZJMRPSA-N 2 2 331.416 1.105 20 0 EDADLP CCOc1ncccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836978 446471440 /nfs/dbraw/zinc/47/14/40/446471440.db2.gz DZRJIMCRRMMZTG-INIZCTEOSA-N 2 2 346.475 1.721 20 0 EDADLP CCOc1ncccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836978 446471446 /nfs/dbraw/zinc/47/14/46/446471446.db2.gz DZRJIMCRRMMZTG-INIZCTEOSA-N 2 2 346.475 1.721 20 0 EDADLP [NH3+]C[C@H]1CN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000418261881 446476905 /nfs/dbraw/zinc/47/69/05/446476905.db2.gz RTZSDARSCFOPLV-LBPRGKRZSA-N 2 2 349.822 1.395 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000420316748 446482008 /nfs/dbraw/zinc/48/20/08/446482008.db2.gz YKIJJYWGJJKSPA-GVXVVHGQSA-N 2 2 337.445 1.309 20 0 EDADLP COC(=O)c1ccsc1N1CC[C@H]([N@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000420316748 446482009 /nfs/dbraw/zinc/48/20/09/446482009.db2.gz YKIJJYWGJJKSPA-GVXVVHGQSA-N 2 2 337.445 1.309 20 0 EDADLP [NH3+][C@@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C1CCC1 ZINC000423315869 446485126 /nfs/dbraw/zinc/48/51/26/446485126.db2.gz XROBQMATFOJGGX-QGZVFWFLSA-N 2 2 327.432 1.106 20 0 EDADLP O=C(NCCC[NH2+]C1CC1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418302984 446492571 /nfs/dbraw/zinc/49/25/71/446492571.db2.gz RJTNGWUODHNZJV-UHFFFAOYSA-N 2 2 346.475 1.535 20 0 EDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2cccc(Cl)c2)CC12CCOCC2 ZINC000420332162 446502904 /nfs/dbraw/zinc/50/29/04/446502904.db2.gz RKIBBNIYXJRXNO-ZDUSSCGKSA-N 2 2 337.851 1.966 20 0 EDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2cccc(Cl)c2)CC12CCOCC2 ZINC000420332162 446502911 /nfs/dbraw/zinc/50/29/11/446502911.db2.gz RKIBBNIYXJRXNO-ZDUSSCGKSA-N 2 2 337.851 1.966 20 0 EDADLP O=C(NCC1CCOCC1)[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000367070712 446502975 /nfs/dbraw/zinc/50/29/75/446502975.db2.gz GGSMTCLLGLFWFM-SFHVURJKSA-N 2 2 337.508 1.870 20 0 EDADLP O=C(NCC1CCOCC1)[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000367070712 446502981 /nfs/dbraw/zinc/50/29/81/446502981.db2.gz GGSMTCLLGLFWFM-SFHVURJKSA-N 2 2 337.508 1.870 20 0 EDADLP C[NH+]1CCC(CNC(=O)Cc2ncccc2F)([NH+]2CCCCC2)CC1 ZINC000376450192 446505105 /nfs/dbraw/zinc/50/51/05/446505105.db2.gz SUVSWSOKJFEBHA-UHFFFAOYSA-N 2 2 348.466 1.830 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418342289 446507612 /nfs/dbraw/zinc/50/76/12/446507612.db2.gz PYFDVMFZDCQKHE-OAHLLOKOSA-N 2 2 334.439 1.653 20 0 EDADLP COc1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420329788 446498953 /nfs/dbraw/zinc/49/89/53/446498953.db2.gz OYTUDXFCBFEAEO-AWEZNQCLSA-N 2 2 333.432 1.321 20 0 EDADLP COc1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420329788 446498960 /nfs/dbraw/zinc/49/89/60/446498960.db2.gz OYTUDXFCBFEAEO-AWEZNQCLSA-N 2 2 333.432 1.321 20 0 EDADLP COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420387638 446562870 /nfs/dbraw/zinc/56/28/70/446562870.db2.gz WBPOSUGGPDNIBP-RDJZCZTQSA-N 2 2 343.431 1.596 20 0 EDADLP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420387638 446562874 /nfs/dbraw/zinc/56/28/74/446562874.db2.gz WBPOSUGGPDNIBP-RDJZCZTQSA-N 2 2 343.431 1.596 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC[N@@H+]1C[C@@H](C)O ZINC000423401567 446518260 /nfs/dbraw/zinc/51/82/60/446518260.db2.gz XRVIRFAYOBTOER-XHBSWPGZSA-N 2 2 341.402 1.268 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC[N@H+]1C[C@@H](C)O ZINC000423401567 446518264 /nfs/dbraw/zinc/51/82/64/446518264.db2.gz XRVIRFAYOBTOER-XHBSWPGZSA-N 2 2 341.402 1.268 20 0 EDADLP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC[NH2+]CC1 ZINC000423404074 446519969 /nfs/dbraw/zinc/51/99/69/446519969.db2.gz IIAQGRNSWYVCJN-HKUYNNGSSA-N 3 2 346.519 1.898 20 0 EDADLP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC[NH2+]CC1 ZINC000423404074 446519975 /nfs/dbraw/zinc/51/99/75/446519975.db2.gz IIAQGRNSWYVCJN-HKUYNNGSSA-N 3 2 346.519 1.898 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000418381831 446522359 /nfs/dbraw/zinc/52/23/59/446522359.db2.gz LIGYMRDJQISFOD-CQSZACIVSA-N 2 2 336.505 1.890 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423416154 446524579 /nfs/dbraw/zinc/52/45/79/446524579.db2.gz CAFXWWCAKDFDQQ-HNNXBMFYSA-N 2 2 330.436 1.590 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@@H]1C ZINC000411410954 446527151 /nfs/dbraw/zinc/52/71/51/446527151.db2.gz UGZLZSQUQISZEZ-STQMWFEESA-N 2 2 329.404 1.214 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C[C@@H]1C ZINC000411410954 446527154 /nfs/dbraw/zinc/52/71/54/446527154.db2.gz UGZLZSQUQISZEZ-STQMWFEESA-N 2 2 329.404 1.214 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420353695 446533417 /nfs/dbraw/zinc/53/34/17/446533417.db2.gz AQJLULQCVUINEW-YZVOILCLSA-N 2 2 349.475 1.556 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000420356094 446534829 /nfs/dbraw/zinc/53/48/29/446534829.db2.gz CMORRRMPKZOIHQ-BFQNTYOBSA-N 2 2 341.402 1.880 20 0 EDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000423443843 446540450 /nfs/dbraw/zinc/54/04/50/446540450.db2.gz XMNCKUHNMAQGFJ-IKGGRYGDSA-N 2 2 345.491 1.096 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420390442 446567529 /nfs/dbraw/zinc/56/75/29/446567529.db2.gz NKBWBTVUUCXUFP-QWHCGFSZSA-N 2 2 341.402 1.062 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420390442 446567533 /nfs/dbraw/zinc/56/75/33/446567533.db2.gz NKBWBTVUUCXUFP-QWHCGFSZSA-N 2 2 341.402 1.062 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)cc1 ZINC000420363581 446543468 /nfs/dbraw/zinc/54/34/68/446543468.db2.gz BPBCFXXOEUNEPO-NVXWUHKLSA-N 2 2 345.447 1.418 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)cc1 ZINC000420363581 446543472 /nfs/dbraw/zinc/54/34/72/446543472.db2.gz BPBCFXXOEUNEPO-NVXWUHKLSA-N 2 2 345.447 1.418 20 0 EDADLP [NH3+]C[C@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)C1CCCCC1 ZINC000420373490 446550329 /nfs/dbraw/zinc/55/03/29/446550329.db2.gz REFCMRXDLWMNDQ-SFHVURJKSA-N 2 2 344.503 1.663 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000433985507 446613859 /nfs/dbraw/zinc/61/38/59/446613859.db2.gz NSHPZHCYGVTZFZ-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418611414 446614176 /nfs/dbraw/zinc/61/41/76/446614176.db2.gz AXQFOJYLFFIPKX-IHRRRGAJSA-N 2 2 342.484 1.910 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418611414 446614179 /nfs/dbraw/zinc/61/41/79/446614179.db2.gz AXQFOJYLFFIPKX-IHRRRGAJSA-N 2 2 342.484 1.910 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000420395153 446570386 /nfs/dbraw/zinc/57/03/86/446570386.db2.gz CXOGYHRCDLMDQG-QWHCGFSZSA-N 2 2 325.403 1.540 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000420395153 446570391 /nfs/dbraw/zinc/57/03/91/446570391.db2.gz CXOGYHRCDLMDQG-QWHCGFSZSA-N 2 2 325.403 1.540 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420395265 446570644 /nfs/dbraw/zinc/57/06/44/446570644.db2.gz SUSGNXGTWVZQJP-KKUMJFAQSA-N 2 2 335.448 1.311 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420395265 446570648 /nfs/dbraw/zinc/57/06/48/446570648.db2.gz SUSGNXGTWVZQJP-KKUMJFAQSA-N 2 2 335.448 1.311 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420396692 446570686 /nfs/dbraw/zinc/57/06/86/446570686.db2.gz WBELIHLDOPTJFL-AEFFLSMTSA-N 2 2 349.475 1.320 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000420396692 446570691 /nfs/dbraw/zinc/57/06/91/446570691.db2.gz WBELIHLDOPTJFL-AEFFLSMTSA-N 2 2 349.475 1.320 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000420398926 446572909 /nfs/dbraw/zinc/57/29/09/446572909.db2.gz HEIMPVXAXUCFOM-UONOGXRCSA-N 2 2 346.500 1.872 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C[C@H]1C[NH3+] ZINC000420398926 446572916 /nfs/dbraw/zinc/57/29/16/446572916.db2.gz HEIMPVXAXUCFOM-UONOGXRCSA-N 2 2 346.500 1.872 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)NCc2c[nH+]c3n2CCCC3)n1C ZINC000375135385 446600872 /nfs/dbraw/zinc/60/08/72/446600872.db2.gz PTTFEKHKQQADCJ-UHFFFAOYSA-N 2 2 331.424 1.018 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)CC[C@@H]21 ZINC000418748338 446668078 /nfs/dbraw/zinc/66/80/78/446668078.db2.gz BDOUGFVAEDZQMX-RDBSUJKOSA-N 2 2 330.423 1.357 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)CC[C@@H]21 ZINC000418748338 446668084 /nfs/dbraw/zinc/66/80/84/446668084.db2.gz BDOUGFVAEDZQMX-RDBSUJKOSA-N 2 2 330.423 1.357 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000376713218 446669737 /nfs/dbraw/zinc/66/97/37/446669737.db2.gz UWBRXLHCLPTZMP-XLAORIBOSA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000376713218 446669739 /nfs/dbraw/zinc/66/97/39/446669739.db2.gz UWBRXLHCLPTZMP-XLAORIBOSA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000376713218 446669744 /nfs/dbraw/zinc/66/97/44/446669744.db2.gz UWBRXLHCLPTZMP-XLAORIBOSA-N 2 2 335.492 1.430 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000376713218 446669750 /nfs/dbraw/zinc/66/97/50/446669750.db2.gz UWBRXLHCLPTZMP-XLAORIBOSA-N 2 2 335.492 1.430 20 0 EDADLP CC(C)[NH+](CCN(C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F)C(C)C ZINC000418773454 446690524 /nfs/dbraw/zinc/69/05/24/446690524.db2.gz VHATVMMMIKISGT-CQSZACIVSA-N 2 2 334.455 1.991 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000423809741 446700217 /nfs/dbraw/zinc/70/02/17/446700217.db2.gz MOBOTUYWLOCVPF-GOSISDBHSA-N 2 2 347.459 1.360 20 0 EDADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000423827872 446717219 /nfs/dbraw/zinc/71/72/19/446717219.db2.gz QNMWVLMIXBSJSF-GDBMZVCRSA-N 2 2 342.443 1.485 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000368226405 446721392 /nfs/dbraw/zinc/72/13/92/446721392.db2.gz ZOZLDTCRLVBJOT-MOPGFXCFSA-N 2 2 345.487 1.394 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000368226405 446721399 /nfs/dbraw/zinc/72/13/99/446721399.db2.gz ZOZLDTCRLVBJOT-MOPGFXCFSA-N 2 2 345.487 1.394 20 0 EDADLP Cc1ccc(CNC(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371291926 446748929 /nfs/dbraw/zinc/74/89/29/446748929.db2.gz AHMYBXDQMOXGSX-GUDVDZBRSA-N 2 2 345.487 1.795 20 0 EDADLP Cc1ccc(CNC(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371291926 446748936 /nfs/dbraw/zinc/74/89/36/446748936.db2.gz AHMYBXDQMOXGSX-GUDVDZBRSA-N 2 2 345.487 1.795 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000371294544 446750971 /nfs/dbraw/zinc/75/09/71/446750971.db2.gz LOGUOKPNXDQZPG-CWQOZTLDSA-N 2 2 337.508 1.674 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000371294544 446750979 /nfs/dbraw/zinc/75/09/79/446750979.db2.gz LOGUOKPNXDQZPG-CWQOZTLDSA-N 2 2 337.508 1.674 20 0 EDADLP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)OC(C)(C)C)CC2)CC1 ZINC000368329035 446790589 /nfs/dbraw/zinc/79/05/89/446790589.db2.gz BSGVDBASDCHFCT-UHFFFAOYSA-N 2 2 325.497 1.678 20 0 EDADLP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)ccc1F ZINC000376941457 446812709 /nfs/dbraw/zinc/81/27/09/446812709.db2.gz PBNWZRCEJOLQMV-CQSZACIVSA-N 2 2 330.407 1.963 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)NCc2[nH+]c(C)n3c2CCCC3)CC1 ZINC000371405470 446835273 /nfs/dbraw/zinc/83/52/73/446835273.db2.gz DKMGWVGHBBKZKS-UHFFFAOYSA-N 2 2 349.479 1.392 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@@]1(C)C[NH3+] ZINC000423975925 446803524 /nfs/dbraw/zinc/80/35/24/446803524.db2.gz NSIJDKGPLYIDQS-DNVCBOLYSA-N 2 2 331.460 1.576 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000418997441 446856234 /nfs/dbraw/zinc/85/62/34/446856234.db2.gz GBBWAGVHANOFSU-UHFFFAOYSA-N 2 2 346.475 1.230 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000418997441 446856244 /nfs/dbraw/zinc/85/62/44/446856244.db2.gz GBBWAGVHANOFSU-UHFFFAOYSA-N 2 2 346.475 1.230 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1 ZINC000418998993 446856760 /nfs/dbraw/zinc/85/67/60/446856760.db2.gz IHTUMOJBPCILND-UHFFFAOYSA-N 2 2 346.475 1.230 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)c1ccccc1 ZINC000418998993 446856766 /nfs/dbraw/zinc/85/67/66/446856766.db2.gz IHTUMOJBPCILND-UHFFFAOYSA-N 2 2 346.475 1.230 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCS1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368435304 446861925 /nfs/dbraw/zinc/86/19/25/446861925.db2.gz ZHJVZDZHNMLDCM-HOTGVXAUSA-N 2 2 340.537 1.692 20 0 EDADLP CN(C(=O)NC[C@@H]1CCCS1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368435304 446861928 /nfs/dbraw/zinc/86/19/28/446861928.db2.gz ZHJVZDZHNMLDCM-HOTGVXAUSA-N 2 2 340.537 1.692 20 0 EDADLP CC(C)c1cc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)[nH]n1 ZINC000371464726 446873845 /nfs/dbraw/zinc/87/38/45/446873845.db2.gz WBRCMAJLKSQMSI-AWEZNQCLSA-N 2 2 333.480 1.774 20 0 EDADLP CC(C)c1cc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)[nH]n1 ZINC000371464726 446873847 /nfs/dbraw/zinc/87/38/47/446873847.db2.gz WBRCMAJLKSQMSI-AWEZNQCLSA-N 2 2 333.480 1.774 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420933545 446905547 /nfs/dbraw/zinc/90/55/47/446905547.db2.gz GDZSJHNFPDCGEJ-ZACQAIPSSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420933545 446905554 /nfs/dbraw/zinc/90/55/54/446905554.db2.gz GDZSJHNFPDCGEJ-ZACQAIPSSA-N 2 2 346.475 1.069 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@]2(CCOC2)O1 ZINC000420960500 446929135 /nfs/dbraw/zinc/92/91/35/446929135.db2.gz HXHWQSNRVHIYDZ-XLIONFOSSA-N 2 2 346.471 1.899 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@]2(CCOC2)O1 ZINC000420960500 446929127 /nfs/dbraw/zinc/92/91/27/446929127.db2.gz HXHWQSNRVHIYDZ-XLIONFOSSA-N 2 2 346.471 1.899 20 0 EDADLP CNC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000420972812 446943895 /nfs/dbraw/zinc/94/38/95/446943895.db2.gz KOFXLCQLOJDTAD-HUUCEWRRSA-N 2 2 330.432 1.082 20 0 EDADLP CNC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000420972812 446943902 /nfs/dbraw/zinc/94/39/02/446943902.db2.gz KOFXLCQLOJDTAD-HUUCEWRRSA-N 2 2 330.432 1.082 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)nc[nH+]1 ZINC000413108949 447006465 /nfs/dbraw/zinc/00/64/65/447006465.db2.gz SCVIATFVBOGRBS-OAHLLOKOSA-N 2 2 349.479 1.208 20 0 EDADLP C[C@@H](O)CNc1cc(N2CCC(CC[NH+]3CCOCC3)CC2)[nH+]cn1 ZINC000413108949 447006473 /nfs/dbraw/zinc/00/64/73/447006473.db2.gz SCVIATFVBOGRBS-OAHLLOKOSA-N 2 2 349.479 1.208 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N[C@@H]1CC[NH+](CC)C1)c1ccccc1 ZINC000421005507 446981162 /nfs/dbraw/zinc/98/11/62/446981162.db2.gz DXGCVXHYTIEBBY-MRXNPFEDSA-N 2 2 346.475 1.230 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]1CC[NH+](CC)C1)c1ccccc1 ZINC000421005507 446981169 /nfs/dbraw/zinc/98/11/69/446981169.db2.gz DXGCVXHYTIEBBY-MRXNPFEDSA-N 2 2 346.475 1.230 20 0 EDADLP CC[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000421005507 446981177 /nfs/dbraw/zinc/98/11/77/446981177.db2.gz DXGCVXHYTIEBBY-MRXNPFEDSA-N 2 2 346.475 1.230 20 0 EDADLP CC[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000421005507 446981182 /nfs/dbraw/zinc/98/11/82/446981182.db2.gz DXGCVXHYTIEBBY-MRXNPFEDSA-N 2 2 346.475 1.230 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000377200534 446989009 /nfs/dbraw/zinc/98/90/09/446989009.db2.gz YSWBTXHEQVFQBM-HMQMGEFJSA-N 3 2 334.508 1.192 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000377200534 446989013 /nfs/dbraw/zinc/98/90/13/446989013.db2.gz YSWBTXHEQVFQBM-HMQMGEFJSA-N 3 2 334.508 1.192 20 0 EDADLP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000421026921 446997893 /nfs/dbraw/zinc/99/78/93/446997893.db2.gz SOZGNFVOWDVIOQ-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000421026921 446997897 /nfs/dbraw/zinc/99/78/97/446997897.db2.gz SOZGNFVOWDVIOQ-CABCVRRESA-N 2 2 339.480 1.060 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](O)CC[C@@H]3C)CC2)c1 ZINC000421032853 447000953 /nfs/dbraw/zinc/00/09/53/447000953.db2.gz ZKNUGOVGMYUMAJ-HKUYNNGSSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](O)CC[C@@H]3C)CC2)c1 ZINC000421032853 447000958 /nfs/dbraw/zinc/00/09/58/447000958.db2.gz ZKNUGOVGMYUMAJ-HKUYNNGSSA-N 2 2 345.487 1.484 20 0 EDADLP CCOc1ccccc1C[NH+]1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000375812860 447071314 /nfs/dbraw/zinc/07/13/14/447071314.db2.gz IZNBQWVWUMHRBB-IBGZPJMESA-N 2 2 347.503 1.924 20 0 EDADLP CCOc1ccccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000375812860 447071320 /nfs/dbraw/zinc/07/13/20/447071320.db2.gz IZNBQWVWUMHRBB-IBGZPJMESA-N 2 2 347.503 1.924 20 0 EDADLP CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000372308616 447036868 /nfs/dbraw/zinc/03/68/68/447036868.db2.gz ROUAPIZUYBMQOY-PVAVHDDUSA-N 2 2 338.496 1.412 20 0 EDADLP CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000372308616 447036873 /nfs/dbraw/zinc/03/68/73/447036873.db2.gz ROUAPIZUYBMQOY-PVAVHDDUSA-N 2 2 338.496 1.412 20 0 EDADLP Cc1ccc(C(=O)CC[N@@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372353968 447046737 /nfs/dbraw/zinc/04/67/37/447046737.db2.gz HZAAJSIHEAZQMB-LJQANCHMSA-N 2 2 345.487 1.516 20 0 EDADLP Cc1ccc(C(=O)CC[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372353968 447046746 /nfs/dbraw/zinc/04/67/46/447046746.db2.gz HZAAJSIHEAZQMB-LJQANCHMSA-N 2 2 345.487 1.516 20 0 EDADLP Cc1ccn(C)c1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000372516684 447102771 /nfs/dbraw/zinc/10/27/71/447102771.db2.gz YMSWDYVBWAWFKC-SJPCQFCGSA-N 2 2 330.476 1.717 20 0 EDADLP Cc1ccn(C)c1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000372516684 447102776 /nfs/dbraw/zinc/10/27/76/447102776.db2.gz YMSWDYVBWAWFKC-SJPCQFCGSA-N 2 2 330.476 1.717 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000413276555 447111093 /nfs/dbraw/zinc/11/10/93/447111093.db2.gz YOINEHJCCAHCJN-WBVHZDCISA-N 2 2 341.459 2.203 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000413276555 447111098 /nfs/dbraw/zinc/11/10/98/447111098.db2.gz YOINEHJCCAHCJN-WBVHZDCISA-N 2 2 341.459 2.203 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000413276555 447111106 /nfs/dbraw/zinc/11/11/06/447111106.db2.gz YOINEHJCCAHCJN-WBVHZDCISA-N 2 2 341.459 2.203 20 0 EDADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000413276555 447111112 /nfs/dbraw/zinc/11/11/12/447111112.db2.gz YOINEHJCCAHCJN-WBVHZDCISA-N 2 2 341.459 2.203 20 0 EDADLP CCNC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000372529066 447113791 /nfs/dbraw/zinc/11/37/91/447113791.db2.gz CUFKSKSJCZHKLA-MAUKXSAKSA-N 2 2 335.496 1.651 20 0 EDADLP CCNC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000372529066 447113795 /nfs/dbraw/zinc/11/37/95/447113795.db2.gz CUFKSKSJCZHKLA-MAUKXSAKSA-N 2 2 335.496 1.651 20 0 EDADLP CCNC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000372529066 447113802 /nfs/dbraw/zinc/11/38/02/447113802.db2.gz CUFKSKSJCZHKLA-MAUKXSAKSA-N 2 2 335.496 1.651 20 0 EDADLP CCNC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000372529066 447113809 /nfs/dbraw/zinc/11/38/09/447113809.db2.gz CUFKSKSJCZHKLA-MAUKXSAKSA-N 2 2 335.496 1.651 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000375906400 447136555 /nfs/dbraw/zinc/13/65/55/447136555.db2.gz PAAMJKXJJVIWHV-JKSUJKDBSA-N 2 2 331.464 1.502 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425398881 447144423 /nfs/dbraw/zinc/14/44/23/447144423.db2.gz CUZUAQCXRIVPQJ-IAGOWNOFSA-N 2 2 336.524 1.488 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425398881 447144429 /nfs/dbraw/zinc/14/44/29/447144429.db2.gz CUZUAQCXRIVPQJ-IAGOWNOFSA-N 2 2 336.524 1.488 20 0 EDADLP COc1cc2nc(NCCCC[N@H+](C)C3CC3)[nH+]c(N)c2cc1OC ZINC000413345253 447154241 /nfs/dbraw/zinc/15/42/41/447154241.db2.gz FJVVGZYRGMSYNH-UHFFFAOYSA-N 2 2 345.447 1.937 20 0 EDADLP COc1cc2nc(NCCCC[N@@H+](C)C3CC3)[nH+]c(N)c2cc1OC ZINC000413345253 447154247 /nfs/dbraw/zinc/15/42/47/447154247.db2.gz FJVVGZYRGMSYNH-UHFFFAOYSA-N 2 2 345.447 1.937 20 0 EDADLP C[NH2+][C@H](C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1cnn(C)c1 ZINC000375941991 447165094 /nfs/dbraw/zinc/16/50/94/447165094.db2.gz RAUZXOUCUWQDFQ-KRWDZBQOSA-N 2 2 342.447 1.169 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000377426632 447126887 /nfs/dbraw/zinc/12/68/87/447126887.db2.gz OEOOTJIVLKYKEC-UHFFFAOYSA-N 2 2 346.435 1.035 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000377426632 447126891 /nfs/dbraw/zinc/12/68/91/447126891.db2.gz OEOOTJIVLKYKEC-UHFFFAOYSA-N 2 2 346.435 1.035 20 0 EDADLP CC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000377569109 447212790 /nfs/dbraw/zinc/21/27/90/447212790.db2.gz VGPINHJCHZUZOL-UXHICEINSA-N 2 2 345.487 1.878 20 0 EDADLP CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000377569109 447212795 /nfs/dbraw/zinc/21/27/95/447212795.db2.gz VGPINHJCHZUZOL-UXHICEINSA-N 2 2 345.487 1.878 20 0 EDADLP CC(=O)N[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000377569109 447212802 /nfs/dbraw/zinc/21/28/02/447212802.db2.gz VGPINHJCHZUZOL-UXHICEINSA-N 2 2 345.487 1.878 20 0 EDADLP CC(=O)N[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000377569109 447212809 /nfs/dbraw/zinc/21/28/09/447212809.db2.gz VGPINHJCHZUZOL-UXHICEINSA-N 2 2 345.487 1.878 20 0 EDADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000377620434 447248104 /nfs/dbraw/zinc/24/81/04/447248104.db2.gz DVGULCDYPBUIOZ-CYBMUJFWSA-N 2 2 334.420 1.467 20 0 EDADLP Cc1nc(Cl)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372726593 447249439 /nfs/dbraw/zinc/24/94/39/447249439.db2.gz KYXWMNWRKZQWRY-ZDUSSCGKSA-N 2 2 336.867 1.942 20 0 EDADLP Cc1nc(Cl)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372726593 447249444 /nfs/dbraw/zinc/24/94/44/447249444.db2.gz KYXWMNWRKZQWRY-ZDUSSCGKSA-N 2 2 336.867 1.942 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000455823598 447235707 /nfs/dbraw/zinc/23/57/07/447235707.db2.gz RDFFNBVOJIFGLX-SGMGOOAPSA-N 2 2 345.509 1.857 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000455823598 447235713 /nfs/dbraw/zinc/23/57/13/447235713.db2.gz RDFFNBVOJIFGLX-SGMGOOAPSA-N 2 2 345.509 1.857 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000455856970 447242856 /nfs/dbraw/zinc/24/28/56/447242856.db2.gz XJBSKDAUINCISB-CHWSQXEVSA-N 2 2 338.477 1.208 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCOCC1 ZINC000368980766 447244722 /nfs/dbraw/zinc/24/47/22/447244722.db2.gz LDBYMWQDBVZEFN-QGZVFWFLSA-N 2 2 349.479 1.586 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)n1C ZINC000414286300 447285346 /nfs/dbraw/zinc/28/53/46/447285346.db2.gz SGDPBFJBNXBIOR-GOSISDBHSA-N 2 2 343.475 1.649 20 0 EDADLP CC(C)CCOCC[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000369051190 447289620 /nfs/dbraw/zinc/28/96/20/447289620.db2.gz RNIDTHJCLVIPLY-MSOLQXFVSA-N 2 2 327.513 1.386 20 0 EDADLP CC(C)CCOCC[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000369051190 447289629 /nfs/dbraw/zinc/28/96/29/447289629.db2.gz RNIDTHJCLVIPLY-MSOLQXFVSA-N 2 2 327.513 1.386 20 0 EDADLP CC(C)CCOCC[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000369051190 447289636 /nfs/dbraw/zinc/28/96/36/447289636.db2.gz RNIDTHJCLVIPLY-MSOLQXFVSA-N 2 2 327.513 1.386 20 0 EDADLP CC(C)CCOCC[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000369051190 447289643 /nfs/dbraw/zinc/28/96/43/447289643.db2.gz RNIDTHJCLVIPLY-MSOLQXFVSA-N 2 2 327.513 1.386 20 0 EDADLP CCc1ncc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cn1 ZINC000414301248 447289926 /nfs/dbraw/zinc/28/99/26/447289926.db2.gz SSSTZXGISZQUEH-MRXNPFEDSA-N 2 2 326.448 2.186 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000377681735 447290958 /nfs/dbraw/zinc/29/09/58/447290958.db2.gz RKXBNIKHOIMTQG-SJORKVTESA-N 2 2 327.432 1.257 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000377681735 447290961 /nfs/dbraw/zinc/29/09/61/447290961.db2.gz RKXBNIKHOIMTQG-SJORKVTESA-N 2 2 327.432 1.257 20 0 EDADLP O=S1(=O)CCCN1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000446842741 447260672 /nfs/dbraw/zinc/26/06/72/447260672.db2.gz XYWIDQJFYGLXCZ-KRWDZBQOSA-N 2 2 343.537 1.610 20 0 EDADLP O=S1(=O)CCCN1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000446842741 447260675 /nfs/dbraw/zinc/26/06/75/447260675.db2.gz XYWIDQJFYGLXCZ-KRWDZBQOSA-N 2 2 343.537 1.610 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000377644884 447268287 /nfs/dbraw/zinc/26/82/87/447268287.db2.gz FWLAFNNEIIASRX-OAHLLOKOSA-N 2 2 333.432 1.217 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c[nH+]1 ZINC000458707766 447457893 /nfs/dbraw/zinc/45/78/93/447457893.db2.gz AVTQEVMSNCBHIR-MRXNPFEDSA-N 2 2 334.464 1.999 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c[nH+]1 ZINC000458707766 447457896 /nfs/dbraw/zinc/45/78/96/447457896.db2.gz AVTQEVMSNCBHIR-MRXNPFEDSA-N 2 2 334.464 1.999 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422308248 447461706 /nfs/dbraw/zinc/46/17/06/447461706.db2.gz PQDVQGZBVLPNNR-MRXNPFEDSA-N 2 2 332.448 1.305 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422308248 447461712 /nfs/dbraw/zinc/46/17/12/447461712.db2.gz PQDVQGZBVLPNNR-MRXNPFEDSA-N 2 2 332.448 1.305 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000458722795 447460824 /nfs/dbraw/zinc/46/08/24/447460824.db2.gz OHGRCTVJAKOVON-GJZGRUSLSA-N 2 2 337.468 1.764 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000458722795 447460832 /nfs/dbraw/zinc/46/08/32/447460832.db2.gz OHGRCTVJAKOVON-GJZGRUSLSA-N 2 2 337.468 1.764 20 0 EDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(F)(F)F ZINC000390890779 447504388 /nfs/dbraw/zinc/50/43/88/447504388.db2.gz ZBAHHWHJRATRES-HUUCEWRRSA-N 2 2 332.366 1.790 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000427298177 447577459 /nfs/dbraw/zinc/57/74/59/447577459.db2.gz ACQYHBYUXSCROS-SJLPKXTDSA-N 2 2 331.460 1.484 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000416298383 447559864 /nfs/dbraw/zinc/55/98/64/447559864.db2.gz QSHHYMQARZCUGS-GVDBMIGSSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000416298383 447559868 /nfs/dbraw/zinc/55/98/68/447559868.db2.gz QSHHYMQARZCUGS-GVDBMIGSSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000416298383 447559875 /nfs/dbraw/zinc/55/98/75/447559875.db2.gz QSHHYMQARZCUGS-GVDBMIGSSA-N 2 2 333.476 1.420 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000416298383 447559881 /nfs/dbraw/zinc/55/98/81/447559881.db2.gz QSHHYMQARZCUGS-GVDBMIGSSA-N 2 2 333.476 1.420 20 0 EDADLP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCSCC1)CCC(F)(F)F ZINC000427254799 447568477 /nfs/dbraw/zinc/56/84/77/447568477.db2.gz AUYASFFIHCPDJG-LBPRGKRZSA-N 2 2 341.443 1.814 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCSCC1)CCC(F)(F)F ZINC000427254799 447568483 /nfs/dbraw/zinc/56/84/83/447568483.db2.gz AUYASFFIHCPDJG-LBPRGKRZSA-N 2 2 341.443 1.814 20 0 EDADLP C[NH+](C)CCN(Cc1ccsc1)C(=O)NCC[NH+]1CCOCC1 ZINC000457390993 447570113 /nfs/dbraw/zinc/57/01/13/447570113.db2.gz AQUBOLNTXYYBGL-UHFFFAOYSA-N 2 2 340.493 1.154 20 0 EDADLP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCOCC1)CCC(F)(F)F ZINC000427268171 447572301 /nfs/dbraw/zinc/57/23/01/447572301.db2.gz VUASPDHAUIPALQ-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCOCC1)CCC(F)(F)F ZINC000427268171 447572303 /nfs/dbraw/zinc/57/23/03/447572303.db2.gz VUASPDHAUIPALQ-LBPRGKRZSA-N 2 2 325.375 1.098 20 0 EDADLP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nn1C ZINC000422552223 447639138 /nfs/dbraw/zinc/63/91/38/447639138.db2.gz GTTRWVKFDRTMSM-CYBMUJFWSA-N 2 2 339.871 1.026 20 0 EDADLP Cc1c(Cl)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nn1C ZINC000422552223 447639141 /nfs/dbraw/zinc/63/91/41/447639141.db2.gz GTTRWVKFDRTMSM-CYBMUJFWSA-N 2 2 339.871 1.026 20 0 EDADLP O=c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)nc(C2CC2)[nH]1 ZINC000459347258 447642391 /nfs/dbraw/zinc/64/23/91/447642391.db2.gz QBSIJKDIZBSSKW-AWEZNQCLSA-N 2 2 332.448 1.604 20 0 EDADLP O=c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)nc(C2CC2)[nH]1 ZINC000459347258 447642396 /nfs/dbraw/zinc/64/23/96/447642396.db2.gz QBSIJKDIZBSSKW-AWEZNQCLSA-N 2 2 332.448 1.604 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457542782 447593174 /nfs/dbraw/zinc/59/31/74/447593174.db2.gz MXFUFVSOLZKNCU-UHFFFAOYSA-N 2 2 345.491 1.329 20 0 EDADLP Cc1cc(C)c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c[nH+]1 ZINC000457636826 447605278 /nfs/dbraw/zinc/60/52/78/447605278.db2.gz ZVMMKTYSPIUUJF-GOSISDBHSA-N 2 2 347.507 1.770 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)NC(=O)OC(C)(C)C ZINC000495885205 447617641 /nfs/dbraw/zinc/61/76/41/447617641.db2.gz LEMVSYRGSCXMFL-JKSUJKDBSA-N 2 2 341.496 1.944 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000416876558 447700639 /nfs/dbraw/zinc/70/06/39/447700639.db2.gz AASXEUZLNVMKDE-RDJZCZTQSA-N 2 2 334.464 1.357 20 0 EDADLP C[NH2+][C@H]1CCN(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)C1 ZINC000416888091 447701550 /nfs/dbraw/zinc/70/15/50/447701550.db2.gz PPEWXQDLKTTZIH-ZWKOTPCHSA-N 2 2 346.475 1.372 20 0 EDADLP C[C@@H]1COCCN1CC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030790 447656239 /nfs/dbraw/zinc/65/62/39/447656239.db2.gz UWXNTVQGTUYRHY-HZPDHXFCSA-N 2 2 334.464 1.321 20 0 EDADLP C[C@@H]1COCCN1CC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030790 447656242 /nfs/dbraw/zinc/65/62/42/447656242.db2.gz UWXNTVQGTUYRHY-HZPDHXFCSA-N 2 2 334.464 1.321 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1F ZINC000416925612 447710930 /nfs/dbraw/zinc/71/09/30/447710930.db2.gz YKOKULDWNXLQMH-CABCVRRESA-N 2 2 331.395 1.685 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000416928584 447712589 /nfs/dbraw/zinc/71/25/89/447712589.db2.gz YNXXACXPLVCQHZ-WQVCFCJDSA-N 2 2 345.422 1.946 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416938260 447715482 /nfs/dbraw/zinc/71/54/82/447715482.db2.gz KSOWSINWVIMSMY-HOTGVXAUSA-N 2 2 331.464 1.999 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)C[C@H]21 ZINC000416945068 447721087 /nfs/dbraw/zinc/72/10/87/447721087.db2.gz MJJOBDASKHVBDG-FVQBIDKESA-N 2 2 327.432 1.646 20 0 EDADLP CCNC(=O)COc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422711047 447723219 /nfs/dbraw/zinc/72/32/19/447723219.db2.gz MTKZCLDPKRYDQY-HKUYNNGSSA-N 2 2 347.459 1.058 20 0 EDADLP C[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000459622474 447724580 /nfs/dbraw/zinc/72/45/80/447724580.db2.gz YHCHOKDKOFHEMB-YJBOKZPZSA-N 2 2 325.497 1.772 20 0 EDADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422743512 447736063 /nfs/dbraw/zinc/73/60/63/447736063.db2.gz UDVCTLTWWIZSJN-KDOFPFPSSA-N 2 2 347.484 1.643 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000458181788 447738846 /nfs/dbraw/zinc/73/88/46/447738846.db2.gz ZYGARNBHTCJEJF-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000458181788 447738849 /nfs/dbraw/zinc/73/88/49/447738849.db2.gz ZYGARNBHTCJEJF-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP CC[C@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000458215365 447746162 /nfs/dbraw/zinc/74/61/62/447746162.db2.gz MYMNAUXHHLVKNW-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000458215365 447746168 /nfs/dbraw/zinc/74/61/68/447746168.db2.gz MYMNAUXHHLVKNW-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000458215365 447746173 /nfs/dbraw/zinc/74/61/73/447746173.db2.gz MYMNAUXHHLVKNW-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP CC[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000458215365 447746178 /nfs/dbraw/zinc/74/61/78/447746178.db2.gz MYMNAUXHHLVKNW-GVDBMIGSSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000459763330 447757547 /nfs/dbraw/zinc/75/75/47/447757547.db2.gz CDPMXNLMZJCFEM-YVSFHVDLSA-N 2 2 328.460 1.897 20 0 EDADLP COc1ccccc1N1CC[C@H](C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000422850680 447769396 /nfs/dbraw/zinc/76/93/96/447769396.db2.gz NZNIJHAZULWRNN-GVDBMIGSSA-N 2 2 333.476 1.878 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430561920 447779560 /nfs/dbraw/zinc/77/95/60/447779560.db2.gz PBFXHHNLLASLSE-HNNXBMFYSA-N 2 2 336.436 1.649 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430561920 447779563 /nfs/dbraw/zinc/77/95/63/447779563.db2.gz PBFXHHNLLASLSE-HNNXBMFYSA-N 2 2 336.436 1.649 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)C2=O)cc1 ZINC000422976355 447785121 /nfs/dbraw/zinc/78/51/21/447785121.db2.gz CXPYGAMDOIRLHQ-KYJSFNMBSA-N 2 2 347.459 1.153 20 0 EDADLP CCN1CCO[C@@H](C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000423104380 447805727 /nfs/dbraw/zinc/80/57/27/447805727.db2.gz MBTAUUSXUOWQPE-GTAWCEEGSA-N 2 2 347.503 1.805 20 0 EDADLP O=C1OC[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN12 ZINC000496603995 447831206 /nfs/dbraw/zinc/83/12/06/447831206.db2.gz DWHRDUGEMDORHJ-QGZVFWFLSA-N 2 2 331.416 1.155 20 0 EDADLP O=C1OC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN12 ZINC000496603995 447831207 /nfs/dbraw/zinc/83/12/07/447831207.db2.gz DWHRDUGEMDORHJ-QGZVFWFLSA-N 2 2 331.416 1.155 20 0 EDADLP C[N@H+](CCOc1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496617596 447833663 /nfs/dbraw/zinc/83/36/63/447833663.db2.gz MSODMUYIXAFYGI-IBGZPJMESA-N 2 2 345.443 1.871 20 0 EDADLP C[N@@H+](CCOc1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496617596 447833665 /nfs/dbraw/zinc/83/36/65/447833665.db2.gz MSODMUYIXAFYGI-IBGZPJMESA-N 2 2 345.443 1.871 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000496619041 447834127 /nfs/dbraw/zinc/83/41/27/447834127.db2.gz WDNSBECKGKVJAZ-QGZVFWFLSA-N 2 2 338.452 1.796 20 0 EDADLP c1cn2c([nH+]1)C[C@@H](Nc1ncnc3c1cnn3-c1cc[nH+]cc1)CC2 ZINC000487495747 447834143 /nfs/dbraw/zinc/83/41/43/447834143.db2.gz AGMBXWWQFBWYFU-LBPRGKRZSA-N 2 2 332.371 1.834 20 0 EDADLP c1cn2c([nH+]1)C[C@@H](Nc1[nH+]cnc3c1cnn3-c1cc[nH+]cc1)CC2 ZINC000487495747 447834144 /nfs/dbraw/zinc/83/41/44/447834144.db2.gz AGMBXWWQFBWYFU-LBPRGKRZSA-N 3 2 332.371 1.834 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000496644064 447839961 /nfs/dbraw/zinc/83/99/61/447839961.db2.gz LAETZSNNBRJZBH-OAHLLOKOSA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000496644064 447839962 /nfs/dbraw/zinc/83/99/62/447839962.db2.gz LAETZSNNBRJZBH-OAHLLOKOSA-N 2 2 329.485 1.630 20 0 EDADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3nnc4n3CCCC4)CC2)CC1 ZINC000488117166 447842523 /nfs/dbraw/zinc/84/25/23/447842523.db2.gz YWXSXAUKLNIAIA-UHFFFAOYSA-N 2 2 346.523 1.605 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000575427344 447859109 /nfs/dbraw/zinc/85/91/09/447859109.db2.gz POIYBPCYQRAHGV-FZMZJTMJSA-N 2 2 349.244 1.524 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000575427344 447859113 /nfs/dbraw/zinc/85/91/13/447859113.db2.gz POIYBPCYQRAHGV-FZMZJTMJSA-N 2 2 349.244 1.524 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000569693912 447869520 /nfs/dbraw/zinc/86/95/20/447869520.db2.gz AVZQHEHZHDFUOD-IBGZPJMESA-N 2 2 331.460 1.525 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000569693912 447869524 /nfs/dbraw/zinc/86/95/24/447869524.db2.gz AVZQHEHZHDFUOD-IBGZPJMESA-N 2 2 331.460 1.525 20 0 EDADLP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000496745027 447874907 /nfs/dbraw/zinc/87/49/07/447874907.db2.gz ZXITYARCSMRKOE-ULQDDVLXSA-N 2 2 333.432 1.464 20 0 EDADLP CN(C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)[C@H]1CCCc2ccccc21 ZINC000569826743 447902625 /nfs/dbraw/zinc/90/26/25/447902625.db2.gz NGFFQDJUHFLNLR-WMZOPIPTSA-N 2 2 331.460 1.572 20 0 EDADLP CN(C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)[C@H]1CCCc2ccccc21 ZINC000569826743 447902630 /nfs/dbraw/zinc/90/26/30/447902630.db2.gz NGFFQDJUHFLNLR-WMZOPIPTSA-N 2 2 331.460 1.572 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000570127832 447948655 /nfs/dbraw/zinc/94/86/55/447948655.db2.gz ILMCMRZEGNXWRB-WBVHZDCISA-N 2 2 344.459 1.601 20 0 EDADLP COCc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000576002688 447949240 /nfs/dbraw/zinc/94/92/40/447949240.db2.gz BYLQZEWPMAZFNO-UKRRQHHQSA-N 2 2 344.390 1.269 20 0 EDADLP Cc1cc(Br)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000576003198 447949842 /nfs/dbraw/zinc/94/98/42/447949842.db2.gz OBUXPPMEJYZTPY-KOLCDFICSA-N 2 2 344.278 1.563 20 0 EDADLP Cc1cc(Br)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000576003198 447949844 /nfs/dbraw/zinc/94/98/44/447949844.db2.gz OBUXPPMEJYZTPY-KOLCDFICSA-N 2 2 344.278 1.563 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)c3cc(C)n(C)c3C)C2)CC1 ZINC000530778428 447956245 /nfs/dbraw/zinc/95/62/45/447956245.db2.gz XHHHCQNIXMYMQP-KRWDZBQOSA-N 2 2 332.492 1.536 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)c3cc(C)n(C)c3C)C2)CC1 ZINC000530778428 447956251 /nfs/dbraw/zinc/95/62/51/447956251.db2.gz XHHHCQNIXMYMQP-KRWDZBQOSA-N 2 2 332.492 1.536 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000570174119 447960265 /nfs/dbraw/zinc/96/02/65/447960265.db2.gz YJKANDPJWIDUSA-GPMSIDNRSA-N 2 2 348.491 1.688 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000570174119 447960269 /nfs/dbraw/zinc/96/02/69/447960269.db2.gz YJKANDPJWIDUSA-GPMSIDNRSA-N 2 2 348.491 1.688 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000570174119 447960273 /nfs/dbraw/zinc/96/02/73/447960273.db2.gz YJKANDPJWIDUSA-GPMSIDNRSA-N 2 2 348.491 1.688 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000570174119 447960275 /nfs/dbraw/zinc/96/02/75/447960275.db2.gz YJKANDPJWIDUSA-GPMSIDNRSA-N 2 2 348.491 1.688 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000569947977 447926572 /nfs/dbraw/zinc/92/65/72/447926572.db2.gz QKDZJFUBSIRCJC-OAGGEKHMSA-N 3 2 339.528 1.027 20 0 EDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000569947977 447926577 /nfs/dbraw/zinc/92/65/77/447926577.db2.gz QKDZJFUBSIRCJC-OAGGEKHMSA-N 3 2 339.528 1.027 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[NH2+]C3CC3)c[nH+]2)C[C@@H](C)O1 ZINC000569987566 447931670 /nfs/dbraw/zinc/93/16/70/447931670.db2.gz ATPYQKVPQXIQKD-ZIAGYGMSSA-N 2 2 332.448 1.454 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CCN2C1=O ZINC000569988459 447931701 /nfs/dbraw/zinc/93/17/01/447931701.db2.gz LBEKQDYMTKKQHE-BXUZGUMPSA-N 2 2 347.369 1.099 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)CCN2C1=O ZINC000569988459 447931708 /nfs/dbraw/zinc/93/17/08/447931708.db2.gz LBEKQDYMTKKQHE-BXUZGUMPSA-N 2 2 347.369 1.099 20 0 EDADLP CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000497257297 448012146 /nfs/dbraw/zinc/01/21/46/448012146.db2.gz MWOQPFWFESZAPJ-HOTGVXAUSA-N 2 2 327.469 1.432 20 0 EDADLP CCCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000497257297 448012148 /nfs/dbraw/zinc/01/21/48/448012148.db2.gz MWOQPFWFESZAPJ-HOTGVXAUSA-N 2 2 327.469 1.432 20 0 EDADLP CCCNC(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000497257297 448012155 /nfs/dbraw/zinc/01/21/55/448012155.db2.gz MWOQPFWFESZAPJ-HOTGVXAUSA-N 2 2 327.469 1.432 20 0 EDADLP CCCNC(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000497257297 448012158 /nfs/dbraw/zinc/01/21/58/448012158.db2.gz MWOQPFWFESZAPJ-HOTGVXAUSA-N 2 2 327.469 1.432 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)[C@H](C[NH3+])C1 ZINC000576252075 448012267 /nfs/dbraw/zinc/01/22/67/448012267.db2.gz LERMCFQEHMNRDL-GFCCVEGCSA-N 2 2 337.493 1.909 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)[C@H](C[NH3+])C1 ZINC000576252075 448012273 /nfs/dbraw/zinc/01/22/73/448012273.db2.gz LERMCFQEHMNRDL-GFCCVEGCSA-N 2 2 337.493 1.909 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496854601 447972321 /nfs/dbraw/zinc/97/23/21/447972321.db2.gz GTUBTHDPUBLWLP-NJAFHUGGSA-N 2 2 347.459 1.754 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000531101091 448019386 /nfs/dbraw/zinc/01/93/86/448019386.db2.gz BPGBFFMMXUELRR-INIZCTEOSA-N 2 2 333.480 1.042 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000531101091 448019389 /nfs/dbraw/zinc/01/93/89/448019389.db2.gz BPGBFFMMXUELRR-INIZCTEOSA-N 2 2 333.480 1.042 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000531101091 448019394 /nfs/dbraw/zinc/01/93/94/448019394.db2.gz BPGBFFMMXUELRR-INIZCTEOSA-N 2 2 333.480 1.042 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000531101091 448019397 /nfs/dbraw/zinc/01/93/97/448019397.db2.gz BPGBFFMMXUELRR-INIZCTEOSA-N 2 2 333.480 1.042 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CC[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000525804367 448027544 /nfs/dbraw/zinc/02/75/44/448027544.db2.gz UNDYAYFYTJESLZ-NCOADZHNSA-N 2 2 325.497 1.578 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[NH+]1CC[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000525804367 448027550 /nfs/dbraw/zinc/02/75/50/448027550.db2.gz UNDYAYFYTJESLZ-NCOADZHNSA-N 2 2 325.497 1.578 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000525804367 448027553 /nfs/dbraw/zinc/02/75/53/448027553.db2.gz UNDYAYFYTJESLZ-NCOADZHNSA-N 2 2 325.497 1.578 20 0 EDADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000525804367 448027557 /nfs/dbraw/zinc/02/75/57/448027557.db2.gz UNDYAYFYTJESLZ-NCOADZHNSA-N 2 2 325.497 1.578 20 0 EDADLP COC(=O)N1CCN(c2ccc(N[C@@H]3CCCC[C@H]3C[NH3+])c[nH+]2)CC1 ZINC000497275410 448029500 /nfs/dbraw/zinc/02/95/00/448029500.db2.gz BUJOQEOEBACJBS-GOEBONIOSA-N 2 2 347.463 1.899 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)C[C@H](C)O1 ZINC000576339220 448030648 /nfs/dbraw/zinc/03/06/48/448030648.db2.gz DUTMZXGVMSQXDY-RVKKMQEKSA-N 2 2 349.475 1.430 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000576358217 448037212 /nfs/dbraw/zinc/03/72/12/448037212.db2.gz YGZLLGIQUZOLNF-HNNXBMFYSA-N 2 2 336.480 1.938 20 0 EDADLP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000576358217 448037215 /nfs/dbraw/zinc/03/72/15/448037215.db2.gz YGZLLGIQUZOLNF-HNNXBMFYSA-N 2 2 336.480 1.938 20 0 EDADLP CCc1[nH+]c2ccccc2c(NCCC[N@@H+]2CCNC(=O)C2)c1C ZINC000554592770 448039695 /nfs/dbraw/zinc/03/96/95/448039695.db2.gz MXBVSFIQJNBCCG-UHFFFAOYSA-N 2 2 326.444 1.761 20 0 EDADLP CCc1[nH+]c2ccccc2c(NCCC[N@H+]2CCNC(=O)C2)c1C ZINC000554592770 448039700 /nfs/dbraw/zinc/03/97/00/448039700.db2.gz MXBVSFIQJNBCCG-UHFFFAOYSA-N 2 2 326.444 1.761 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H](C)C[NH+]3CCOCC3)cc2n1C ZINC000526005841 448076741 /nfs/dbraw/zinc/07/67/41/448076741.db2.gz UMRNEIRLIJRCEK-ZDUSSCGKSA-N 2 2 330.432 1.580 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000496983151 448096375 /nfs/dbraw/zinc/09/63/75/448096375.db2.gz YNAWAOSDKZSWOK-GOSISDBHSA-N 2 2 348.447 1.742 20 0 EDADLP CC[C@@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000503766375 448107078 /nfs/dbraw/zinc/10/70/78/448107078.db2.gz VZTJYGZBEGBARJ-YVSFHVDLSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000503766375 448107081 /nfs/dbraw/zinc/10/70/81/448107081.db2.gz VZTJYGZBEGBARJ-YVSFHVDLSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C)[NH+]1CCO[C@H](CC)C1 ZINC000503766375 448107083 /nfs/dbraw/zinc/10/70/83/448107083.db2.gz VZTJYGZBEGBARJ-YVSFHVDLSA-N 2 2 341.496 1.053 20 0 EDADLP CC[C@@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@H+]1C)[NH+]1CCO[C@H](CC)C1 ZINC000503766375 448107087 /nfs/dbraw/zinc/10/70/87/448107087.db2.gz VZTJYGZBEGBARJ-YVSFHVDLSA-N 2 2 341.496 1.053 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)[C@@H](C)C1 ZINC000571444778 448156200 /nfs/dbraw/zinc/15/62/00/448156200.db2.gz PHYKASPTLKZXHX-ZNMIVQPWSA-N 2 2 338.473 1.541 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)[C@@H](C)C1 ZINC000571444778 448156204 /nfs/dbraw/zinc/15/62/04/448156204.db2.gz PHYKASPTLKZXHX-ZNMIVQPWSA-N 2 2 338.473 1.541 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)CCC(=O)N2 ZINC000531975004 448177894 /nfs/dbraw/zinc/17/78/94/448177894.db2.gz NOQLZDWZTGPYRS-DYVFJYSZSA-N 2 2 344.459 1.562 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc2c(c1)CCC(=O)N2 ZINC000531975004 448177899 /nfs/dbraw/zinc/17/78/99/448177899.db2.gz NOQLZDWZTGPYRS-DYVFJYSZSA-N 2 2 344.459 1.562 20 0 EDADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571618261 448179405 /nfs/dbraw/zinc/17/94/05/448179405.db2.gz XQVFWLCGSIAVEX-VVLHAWIVSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571618261 448179408 /nfs/dbraw/zinc/17/94/08/448179408.db2.gz XQVFWLCGSIAVEX-VVLHAWIVSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571618261 448179410 /nfs/dbraw/zinc/17/94/10/448179410.db2.gz XQVFWLCGSIAVEX-VVLHAWIVSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000514672618 448184212 /nfs/dbraw/zinc/18/42/12/448184212.db2.gz VXBMYXVSACDSQC-WMZOPIPTSA-N 2 2 335.423 1.047 20 0 EDADLP 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ZINC000582415198 448230400 /nfs/dbraw/zinc/23/04/00/448230400.db2.gz FTXDXQDDUCNYBY-IMBTUZDBSA-N 2 2 347.503 1.497 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000577121536 448215401 /nfs/dbraw/zinc/21/54/01/448215401.db2.gz FCLJTBMSYYHDJR-KGLIPLIRSA-N 2 2 326.444 1.864 20 0 EDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000577121536 448215406 /nfs/dbraw/zinc/21/54/06/448215406.db2.gz FCLJTBMSYYHDJR-KGLIPLIRSA-N 2 2 326.444 1.864 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)CNCC2(C[NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000577172977 448224211 /nfs/dbraw/zinc/22/42/11/448224211.db2.gz OQVYLAUUYSVPFB-ZACQAIPSSA-N 2 2 327.513 1.168 20 0 EDADLP Cc1cc([C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C2CC2)ccc1F ZINC000515047592 448248083 /nfs/dbraw/zinc/24/80/83/448248083.db2.gz IZDDEQKWDMNFNV-WBVHZDCISA-N 2 2 334.439 1.870 20 0 EDADLP Cc1cc([C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C2CC2)ccc1F ZINC000515047592 448248087 /nfs/dbraw/zinc/24/80/87/448248087.db2.gz IZDDEQKWDMNFNV-WBVHZDCISA-N 2 2 334.439 1.870 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)c[nH+]2)C[C@@H](C)O1 ZINC000591096929 448260373 /nfs/dbraw/zinc/26/03/73/448260373.db2.gz NHWMHMFYGAFIIZ-FMKPAKJESA-N 2 2 332.448 1.263 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)c[nH+]2)C[C@@H](C)O1 ZINC000591096929 448260380 /nfs/dbraw/zinc/26/03/80/448260380.db2.gz NHWMHMFYGAFIIZ-FMKPAKJESA-N 2 2 332.448 1.263 20 0 EDADLP Cc1c[nH+]c(C)nc1NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000577295572 448261438 /nfs/dbraw/zinc/26/14/38/448261438.db2.gz XJVRKHOVFSMOKX-KBPBESRZSA-N 2 2 345.426 1.978 20 0 EDADLP COc1cc(Br)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1O ZINC000577492651 448312324 /nfs/dbraw/zinc/31/23/24/448312324.db2.gz MFPPSNSZULYDAR-NSHDSACASA-N 2 2 344.253 1.238 20 0 EDADLP COc1cc(Br)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1O ZINC000577492651 448312327 /nfs/dbraw/zinc/31/23/27/448312327.db2.gz MFPPSNSZULYDAR-NSHDSACASA-N 2 2 344.253 1.238 20 0 EDADLP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000515466975 448316782 /nfs/dbraw/zinc/31/67/82/448316782.db2.gz IHVRDWMIQZCQJR-MRXNPFEDSA-N 3 2 327.432 1.809 20 0 EDADLP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000515466974 448316850 /nfs/dbraw/zinc/31/68/50/448316850.db2.gz IHVRDWMIQZCQJR-INIZCTEOSA-N 3 2 327.432 1.809 20 0 EDADLP Cc1ncc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000515481506 448318716 /nfs/dbraw/zinc/31/87/16/448318716.db2.gz PBCCCFUQCFVKQB-UHFFFAOYSA-N 2 2 349.479 1.733 20 0 EDADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000572104879 448287821 /nfs/dbraw/zinc/28/78/21/448287821.db2.gz VSQUQBYWXOGTEK-FUHWJXTLSA-N 2 2 339.443 1.944 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cccc(F)c2F)C[C@H](C)O1 ZINC000572114107 448289485 /nfs/dbraw/zinc/28/94/85/448289485.db2.gz DGMQNLKZCIQLEJ-VNHYZAJKSA-N 2 2 328.403 1.567 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cccc(F)c2F)C[C@H](C)O1 ZINC000572114107 448289490 /nfs/dbraw/zinc/28/94/90/448289490.db2.gz DGMQNLKZCIQLEJ-VNHYZAJKSA-N 2 2 328.403 1.567 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccncc2Cl)C1=O ZINC000527691742 448339090 /nfs/dbraw/zinc/33/90/90/448339090.db2.gz OJFNWJGCYCLQMS-CQSZACIVSA-N 2 2 333.823 1.749 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC[NH+]2CCC2)cc1F ZINC000533107290 448358060 /nfs/dbraw/zinc/35/80/60/448358060.db2.gz XMURKAPKMSCQQM-UHFFFAOYSA-N 2 2 331.395 1.825 20 0 EDADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CC)ccc2NC1=O ZINC000572254424 448328665 /nfs/dbraw/zinc/32/86/65/448328665.db2.gz NYBSIGRLBZMJFS-BJJXKVORSA-N 2 2 335.448 1.759 20 0 EDADLP CC[C@@H]1Oc2cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CC)ccc2NC1=O ZINC000572254424 448328670 /nfs/dbraw/zinc/32/86/70/448328670.db2.gz NYBSIGRLBZMJFS-BJJXKVORSA-N 2 2 335.448 1.759 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000591538359 448383982 /nfs/dbraw/zinc/38/39/82/448383982.db2.gz KDIZWGHEKCPPIL-HNNXBMFYSA-N 2 2 335.452 1.216 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000533390047 448396653 /nfs/dbraw/zinc/39/66/53/448396653.db2.gz URRUPTUMUGPMAD-HZPDHXFCSA-N 2 2 340.427 1.709 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000533390047 448396659 /nfs/dbraw/zinc/39/66/59/448396659.db2.gz URRUPTUMUGPMAD-HZPDHXFCSA-N 2 2 340.427 1.709 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)ccc2n1C1CC1 ZINC000516196198 448396875 /nfs/dbraw/zinc/39/68/75/448396875.db2.gz QROUJZOTYUDNHE-KRWDZBQOSA-N 2 2 342.443 1.880 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)ccc2n1C1CC1 ZINC000516196198 448396882 /nfs/dbraw/zinc/39/68/82/448396882.db2.gz QROUJZOTYUDNHE-KRWDZBQOSA-N 2 2 342.443 1.880 20 0 EDADLP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000533478015 448408531 /nfs/dbraw/zinc/40/85/31/448408531.db2.gz XAPXHCVNXCDLAM-JKSUJKDBSA-N 2 2 349.479 1.153 20 0 EDADLP COC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000577942394 448422151 /nfs/dbraw/zinc/42/21/51/448422151.db2.gz YNFOOJAQRJBPNY-HUUCEWRRSA-N 2 2 340.855 1.312 20 0 EDADLP COC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc(Cl)c1 ZINC000577942394 448422156 /nfs/dbraw/zinc/42/21/56/448422156.db2.gz YNFOOJAQRJBPNY-HUUCEWRRSA-N 2 2 340.855 1.312 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000534862089 448470196 /nfs/dbraw/zinc/47/01/96/448470196.db2.gz FYWKPIKQQZHKFR-GASCZTMLSA-N 2 2 332.448 1.594 20 0 EDADLP CC[NH+]1CCC(CNc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000572694208 448439052 /nfs/dbraw/zinc/43/90/52/448439052.db2.gz AKRXBONGIJEFFB-UHFFFAOYSA-N 2 2 329.448 1.022 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000528188906 448456441 /nfs/dbraw/zinc/45/64/41/448456441.db2.gz IHQBWLOHZGCRGQ-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000578142894 448471380 /nfs/dbraw/zinc/47/13/80/448471380.db2.gz YDBQJNZBMFFJNE-UHFFFAOYSA-N 2 2 340.431 1.610 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000578142894 448471386 /nfs/dbraw/zinc/47/13/86/448471386.db2.gz YDBQJNZBMFFJNE-UHFFFAOYSA-N 2 2 340.431 1.610 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCCC(=O)NC3CC3)c2cc1C ZINC000572751654 448457188 /nfs/dbraw/zinc/45/71/88/448457188.db2.gz PRPBZYONNVQUHF-MRXNPFEDSA-N 2 2 344.459 1.662 20 0 EDADLP O=C(NCC1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000578121479 448465565 /nfs/dbraw/zinc/46/55/65/448465565.db2.gz IYXTVYPIZIRGKC-GOSISDBHSA-N 2 2 346.475 1.186 20 0 EDADLP O=C(NCC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000578121479 448465571 /nfs/dbraw/zinc/46/55/71/448465571.db2.gz IYXTVYPIZIRGKC-GOSISDBHSA-N 2 2 346.475 1.186 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2)C1CC1 ZINC000578127207 448467407 /nfs/dbraw/zinc/46/74/07/448467407.db2.gz HWSYXNQIQCAWBC-LBPRGKRZSA-N 2 2 344.358 1.561 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2)C1CC1 ZINC000578127207 448467410 /nfs/dbraw/zinc/46/74/10/448467410.db2.gz HWSYXNQIQCAWBC-LBPRGKRZSA-N 2 2 344.358 1.561 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)C2=O)n1 ZINC000535045421 448479028 /nfs/dbraw/zinc/47/90/28/448479028.db2.gz PMFJMPVQAZCMJF-KBPBESRZSA-N 2 2 328.420 1.139 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@H](c4[nH+]ccn4C)C3)C2=O)n1 ZINC000535045421 448479033 /nfs/dbraw/zinc/47/90/33/448479033.db2.gz PMFJMPVQAZCMJF-KBPBESRZSA-N 2 2 328.420 1.139 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H](C)O1 ZINC000578195804 448482487 /nfs/dbraw/zinc/48/24/87/448482487.db2.gz MUQXGYULISDRFK-HPFXQQBRSA-N 2 2 346.475 1.546 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H](C)O1 ZINC000578195804 448482490 /nfs/dbraw/zinc/48/24/90/448482490.db2.gz MUQXGYULISDRFK-HPFXQQBRSA-N 2 2 346.475 1.546 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000516869602 448486932 /nfs/dbraw/zinc/48/69/32/448486932.db2.gz LVBDMINRBQOAJC-LJQANCHMSA-N 2 2 330.476 1.905 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000584345284 448490072 /nfs/dbraw/zinc/49/00/72/448490072.db2.gz FWGBESUEPDRIEX-RISCZKNCSA-N 2 2 340.265 1.767 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(Nc3ccccn3)CC2)CC1 ZINC000534863563 448472416 /nfs/dbraw/zinc/47/24/16/448472416.db2.gz PDMOVGSVJNLHHY-INIZCTEOSA-N 2 2 345.491 1.511 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000534863563 448472422 /nfs/dbraw/zinc/47/24/22/448472422.db2.gz PDMOVGSVJNLHHY-INIZCTEOSA-N 3 2 345.491 1.511 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000566508138 448496459 /nfs/dbraw/zinc/49/64/59/448496459.db2.gz GBVFCVDTHJRMNZ-WMZOPIPTSA-N 2 2 346.475 1.281 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(C)c1 ZINC000517030522 448527380 /nfs/dbraw/zinc/52/73/80/448527380.db2.gz PTMHYMWJUBCEFZ-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(C)c1 ZINC000517030522 448527384 /nfs/dbraw/zinc/52/73/84/448527384.db2.gz PTMHYMWJUBCEFZ-MSOLQXFVSA-N 2 2 336.476 1.480 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000573060812 448531689 /nfs/dbraw/zinc/53/16/89/448531689.db2.gz SVWMYQHVSSNEOC-KGLIPLIRSA-N 2 2 345.422 1.937 20 0 EDADLP C[N@H+]1CCN(C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000516930464 448500990 /nfs/dbraw/zinc/50/09/90/448500990.db2.gz PHYAMTWTMWKMAG-SFHVURJKSA-N 2 2 330.476 1.636 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000566786841 448558480 /nfs/dbraw/zinc/55/84/80/448558480.db2.gz GGMVXMGQIXLVAE-COPLHBTASA-N 2 2 342.365 1.244 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000566786841 448558485 /nfs/dbraw/zinc/55/84/85/448558485.db2.gz GGMVXMGQIXLVAE-COPLHBTASA-N 2 2 342.365 1.244 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CCCOc3c(F)cccc32)[C@@H](C[NH3+])C1 ZINC000517338354 448573184 /nfs/dbraw/zinc/57/31/84/448573184.db2.gz UFWLMMASAQXJCF-SWLSCSKDSA-N 2 2 336.411 1.324 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCOc3c(F)cccc32)[C@@H](C[NH3+])C1 ZINC000517338354 448573190 /nfs/dbraw/zinc/57/31/90/448573190.db2.gz UFWLMMASAQXJCF-SWLSCSKDSA-N 2 2 336.411 1.324 20 0 EDADLP COc1ccc([C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)c2[nH+]ccn2C)cc1 ZINC000566727229 448545958 /nfs/dbraw/zinc/54/59/58/448545958.db2.gz CTOGDVPGLGGNAD-HOCLYGCPSA-N 2 2 343.431 1.569 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000578450406 448550044 /nfs/dbraw/zinc/55/00/44/448550044.db2.gz AEVJJLUNECXZAN-PVUWLOKVSA-N 2 2 341.402 1.139 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000578450406 448550046 /nfs/dbraw/zinc/55/00/46/448550046.db2.gz AEVJJLUNECXZAN-PVUWLOKVSA-N 2 2 341.402 1.139 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000584516509 448552900 /nfs/dbraw/zinc/55/29/00/448552900.db2.gz VIZSQOXWFIKVLZ-ARFHVFGLSA-N 2 2 333.480 1.826 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)C1 ZINC000584516509 448552905 /nfs/dbraw/zinc/55/29/05/448552905.db2.gz VIZSQOXWFIKVLZ-ARFHVFGLSA-N 2 2 333.480 1.826 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)C1 ZINC000584516509 448552909 /nfs/dbraw/zinc/55/29/09/448552909.db2.gz VIZSQOXWFIKVLZ-ARFHVFGLSA-N 2 2 333.480 1.826 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)C1 ZINC000584516509 448552915 /nfs/dbraw/zinc/55/29/15/448552915.db2.gz VIZSQOXWFIKVLZ-ARFHVFGLSA-N 2 2 333.480 1.826 20 0 EDADLP Cn1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C2CCCCC2)n1 ZINC000517223795 448554674 /nfs/dbraw/zinc/55/46/74/448554674.db2.gz PURWXFSUDHZEII-AWEZNQCLSA-N 2 2 334.468 1.574 20 0 EDADLP Cn1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C2CCCCC2)n1 ZINC000517223795 448554679 /nfs/dbraw/zinc/55/46/79/448554679.db2.gz PURWXFSUDHZEII-AWEZNQCLSA-N 2 2 334.468 1.574 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000517424454 448583411 /nfs/dbraw/zinc/58/34/11/448583411.db2.gz PMDKGMOAFSHUNS-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000517424454 448583412 /nfs/dbraw/zinc/58/34/12/448583412.db2.gz PMDKGMOAFSHUNS-HRCADAONSA-N 2 2 326.485 1.269 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000517563211 448594215 /nfs/dbraw/zinc/59/42/15/448594215.db2.gz MVLQVZPKBGFHBW-CQSZACIVSA-N 2 2 344.415 1.576 20 0 EDADLP C[C@@H](CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)n1cc[nH+]c1 ZINC000573495551 448641124 /nfs/dbraw/zinc/64/11/24/448641124.db2.gz GFCDKPQVYDFOQG-IKGGRYGDSA-N 2 2 333.480 1.319 20 0 EDADLP CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000584827259 448645412 /nfs/dbraw/zinc/64/54/12/448645412.db2.gz BEFXOIIEAOZECK-BBRMVZONSA-N 2 2 347.463 1.322 20 0 EDADLP CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000584827259 448645413 /nfs/dbraw/zinc/64/54/13/448645413.db2.gz BEFXOIIEAOZECK-BBRMVZONSA-N 2 2 347.463 1.322 20 0 EDADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000528752064 448661464 /nfs/dbraw/zinc/66/14/64/448661464.db2.gz DDIRJISDPXDPRZ-MIALQEHNSA-N 2 2 345.487 1.732 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000518343883 448667337 /nfs/dbraw/zinc/66/73/37/448667337.db2.gz LWRLBCCEUPSSPF-SFHVURJKSA-N 2 2 339.443 1.967 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC[N@@H+]1CCOC ZINC000578991463 448687656 /nfs/dbraw/zinc/68/76/56/448687656.db2.gz CDXWMTQAVFVFRV-YJBOKZPZSA-N 2 2 349.475 1.654 20 0 EDADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC[N@H+]1CCOC ZINC000578991463 448687661 /nfs/dbraw/zinc/68/76/61/448687661.db2.gz CDXWMTQAVFVFRV-YJBOKZPZSA-N 2 2 349.475 1.654 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](c2ccc(OC)nc2)C2CC2)CC1 ZINC000528845940 448693915 /nfs/dbraw/zinc/69/39/15/448693915.db2.gz GBMPUYJXEDIDDE-KDOFPFPSSA-N 2 2 346.475 1.684 20 0 EDADLP CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567596439 448720039 /nfs/dbraw/zinc/72/00/39/448720039.db2.gz ZRHSMHVTINDZJK-XEZPLFJOSA-N 2 2 338.427 1.186 20 0 EDADLP CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567596439 448720045 /nfs/dbraw/zinc/72/00/45/448720045.db2.gz ZRHSMHVTINDZJK-XEZPLFJOSA-N 2 2 338.427 1.186 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N2CC[NH+](CC)CC2)[C@@H]1SC ZINC000592168498 448720952 /nfs/dbraw/zinc/72/09/52/448720952.db2.gz JRBMBSMHTZNPKC-YJNKXOJESA-N 2 2 329.510 1.038 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000573981256 448762764 /nfs/dbraw/zinc/76/27/64/448762764.db2.gz LHGLISZHJZWQDN-VQIMIIECSA-N 3 2 345.491 1.736 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C)c(C(=O)OC)[nH]3)C2)CC1 ZINC000585726811 448749489 /nfs/dbraw/zinc/74/94/89/448749489.db2.gz QUDNTCPWAOYZNG-MRXNPFEDSA-N 2 2 334.464 1.322 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)c(C(=O)OC)[nH]3)C2)CC1 ZINC000585726811 448749495 /nfs/dbraw/zinc/74/94/95/448749495.db2.gz QUDNTCPWAOYZNG-MRXNPFEDSA-N 2 2 334.464 1.322 20 0 EDADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000574204293 448817326 /nfs/dbraw/zinc/81/73/26/448817326.db2.gz ALNMWDGXEDRFGO-MNOVXSKESA-N 2 2 343.431 1.631 20 0 EDADLP Cc1cc(NCCNC(=O)N2CCC(CC[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000529365610 448842198 /nfs/dbraw/zinc/84/21/98/448842198.db2.gz GPAQKQMXFHTSGD-UHFFFAOYSA-N 2 2 348.495 2.091 20 0 EDADLP Cc1cc(NCCNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000529368310 448843609 /nfs/dbraw/zinc/84/36/09/448843609.db2.gz SPVXTJWORPQSHQ-ZIAGYGMSSA-N 2 2 334.468 1.699 20 0 EDADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000529371974 448844857 /nfs/dbraw/zinc/84/48/57/448844857.db2.gz IGEYXUNHTXQNCW-NCRRVARUSA-N 2 2 344.459 1.015 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471171 448851426 /nfs/dbraw/zinc/85/14/26/448851426.db2.gz FMDLKMIRKNDMGG-BBRMVZONSA-N 2 2 336.480 1.607 20 0 EDADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471171 448851436 /nfs/dbraw/zinc/85/14/36/448851436.db2.gz FMDLKMIRKNDMGG-BBRMVZONSA-N 2 2 336.480 1.607 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)c1cccc(N)n1)[C@@H]1CC12CC[NH2+]CC2 ZINC000519822457 448852972 /nfs/dbraw/zinc/85/29/72/448852972.db2.gz GKXOULCOAXYVMX-CQSZACIVSA-N 2 2 340.431 1.182 20 0 EDADLP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000529387850 448853331 /nfs/dbraw/zinc/85/33/31/448853331.db2.gz QBARDCJQVIKCMI-GJZGRUSLSA-N 2 2 329.404 1.129 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000592487997 448858026 /nfs/dbraw/zinc/85/80/26/448858026.db2.gz FFIYNUUPEJAOTO-WBVHZDCISA-N 2 2 347.459 1.642 20 0 EDADLP CCOC(=O)CN(C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1)c1ccccc1 ZINC000592487997 448858029 /nfs/dbraw/zinc/85/80/29/448858029.db2.gz FFIYNUUPEJAOTO-WBVHZDCISA-N 2 2 347.459 1.642 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000592489117 448859713 /nfs/dbraw/zinc/85/97/13/448859713.db2.gz QUTRRWYZAADKDR-CZUORRHYSA-N 2 2 333.432 1.861 20 0 EDADLP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000592489117 448859717 /nfs/dbraw/zinc/85/97/17/448859717.db2.gz QUTRRWYZAADKDR-CZUORRHYSA-N 2 2 333.432 1.861 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@H]3CC34C[NH2+]C4)n2)c1 ZINC000574543942 448900950 /nfs/dbraw/zinc/90/09/50/448900950.db2.gz ZTGYQGNSVWNLIR-OAHLLOKOSA-N 2 2 326.400 1.646 20 0 EDADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c21 ZINC000592562375 448901339 /nfs/dbraw/zinc/90/13/39/448901339.db2.gz FCCQMHGLRQJSLE-KBPBESRZSA-N 2 2 340.431 1.123 20 0 EDADLP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)c21 ZINC000592559117 448901570 /nfs/dbraw/zinc/90/15/70/448901570.db2.gz LJZPEEQWWVVNSX-OCCSQVGLSA-N 2 2 328.420 1.810 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000574551231 448902278 /nfs/dbraw/zinc/90/22/78/448902278.db2.gz KMGNRZOXNHRMRV-ICEFOOHZSA-N 2 2 331.464 1.756 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000574551231 448902283 /nfs/dbraw/zinc/90/22/83/448902283.db2.gz KMGNRZOXNHRMRV-ICEFOOHZSA-N 2 2 331.464 1.756 20 0 EDADLP C[NH+]1CCN(CCOc2ccc(NC(=O)Cn3cc[nH+]c3)cc2)CC1 ZINC000568815724 448920895 /nfs/dbraw/zinc/92/08/95/448920895.db2.gz TUBBEIGABPBTGC-UHFFFAOYSA-N 2 2 343.431 1.148 20 0 EDADLP C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000579832254 448889540 /nfs/dbraw/zinc/88/95/40/448889540.db2.gz SJEKMFIHKBULEK-MCIONIFRSA-N 2 2 332.448 1.452 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000547502145 448890770 /nfs/dbraw/zinc/89/07/70/448890770.db2.gz RSGSOXACUZIEPI-HUUCEWRRSA-N 2 2 346.479 1.430 20 0 EDADLP COc1ccccc1[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000520398109 448890840 /nfs/dbraw/zinc/89/08/40/448890840.db2.gz RGKUJXXAQGFJQZ-MHZKCTCGSA-N 2 2 348.487 1.785 20 0 EDADLP CC(C)[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1nc2ccccc2[nH]1 ZINC000569093160 448960224 /nfs/dbraw/zinc/96/02/24/448960224.db2.gz ZREBMNOUCYNIMQ-CJNGLKHVSA-N 2 2 344.463 1.544 20 0 EDADLP CC(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1nc2ccccc2[nH]1 ZINC000569093160 448960229 /nfs/dbraw/zinc/96/02/29/448960229.db2.gz ZREBMNOUCYNIMQ-CJNGLKHVSA-N 2 2 344.463 1.544 20 0 EDADLP CCN1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548020009 448966859 /nfs/dbraw/zinc/96/68/59/448966859.db2.gz QXNIDMDHBCSFKN-MRXNPFEDSA-N 2 2 342.447 1.536 20 0 EDADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000548040070 448974904 /nfs/dbraw/zinc/97/49/04/448974904.db2.gz AKQXWEUUTGQGMW-DLBZAZTESA-N 2 2 337.508 1.722 20 0 EDADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000548040070 448974908 /nfs/dbraw/zinc/97/49/08/448974908.db2.gz AKQXWEUUTGQGMW-DLBZAZTESA-N 2 2 337.508 1.722 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000574741344 448944117 /nfs/dbraw/zinc/94/41/17/448944117.db2.gz XBUUUOSSOZYPSV-DLBZAZTESA-N 3 2 339.528 1.027 20 0 EDADLP CC(C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000574741344 448944120 /nfs/dbraw/zinc/94/41/20/448944120.db2.gz XBUUUOSSOZYPSV-DLBZAZTESA-N 3 2 339.528 1.027 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2)CC1 ZINC000575038259 449018316 /nfs/dbraw/zinc/01/83/16/449018316.db2.gz FAOKNRGUEIWQOS-RTBURBONSA-N 3 2 344.503 1.824 20 0 EDADLP CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2)CC1 ZINC000575038259 449018319 /nfs/dbraw/zinc/01/83/19/449018319.db2.gz FAOKNRGUEIWQOS-RTBURBONSA-N 2 2 344.503 1.824 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000521978434 449034209 /nfs/dbraw/zinc/03/42/09/449034209.db2.gz MYPUQBKWYKZMRQ-HLLBOEOZSA-N 2 2 349.479 1.246 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000521978434 449034213 /nfs/dbraw/zinc/03/42/13/449034213.db2.gz MYPUQBKWYKZMRQ-HLLBOEOZSA-N 2 2 349.479 1.246 20 0 EDADLP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCC[NH+]3Cc4ccccc4C3)c21 ZINC000592957924 449079989 /nfs/dbraw/zinc/07/99/89/449079989.db2.gz RPUXYTJSSOVTBZ-AWEZNQCLSA-N 2 2 339.443 1.465 20 0 EDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000569575984 449048202 /nfs/dbraw/zinc/04/82/02/449048202.db2.gz AUQOOBPIXXEITQ-BPQIPLTHSA-N 2 2 346.475 1.357 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000575192968 449058894 /nfs/dbraw/zinc/05/88/94/449058894.db2.gz SRIFCVNWFGSEHV-DLBZAZTESA-N 2 2 342.430 1.911 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000575192968 449058901 /nfs/dbraw/zinc/05/89/01/449058901.db2.gz SRIFCVNWFGSEHV-DLBZAZTESA-N 2 2 342.430 1.911 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000575192968 449058906 /nfs/dbraw/zinc/05/89/06/449058906.db2.gz SRIFCVNWFGSEHV-DLBZAZTESA-N 2 2 342.430 1.911 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000575192968 449058914 /nfs/dbraw/zinc/05/89/14/449058914.db2.gz SRIFCVNWFGSEHV-DLBZAZTESA-N 2 2 342.430 1.911 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000589765239 449059706 /nfs/dbraw/zinc/05/97/06/449059706.db2.gz HQHVSCVZYAACEX-AWEZNQCLSA-N 2 2 337.493 1.455 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000589765239 449059711 /nfs/dbraw/zinc/05/97/11/449059711.db2.gz HQHVSCVZYAACEX-AWEZNQCLSA-N 2 2 337.493 1.455 20 0 EDADLP C[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000589765239 449059715 /nfs/dbraw/zinc/05/97/15/449059715.db2.gz HQHVSCVZYAACEX-AWEZNQCLSA-N 2 2 337.493 1.455 20 0 EDADLP C[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000589765239 449059722 /nfs/dbraw/zinc/05/97/22/449059722.db2.gz HQHVSCVZYAACEX-AWEZNQCLSA-N 2 2 337.493 1.455 20 0 EDADLP CS[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1[NH+]1CCCC1 ZINC000593600589 449100618 /nfs/dbraw/zinc/10/06/18/449100618.db2.gz BTYQDYCRCNCLDL-JKSUJKDBSA-N 2 2 348.516 1.800 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000593733262 449168142 /nfs/dbraw/zinc/16/81/42/449168142.db2.gz KKYBKRWDTDDDBO-CZUORRHYSA-N 2 2 333.432 1.861 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000593733262 449168144 /nfs/dbraw/zinc/16/81/44/449168144.db2.gz KKYBKRWDTDDDBO-CZUORRHYSA-N 2 2 333.432 1.861 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331504 449207588 /nfs/dbraw/zinc/20/75/88/449207588.db2.gz QIEZRPUGFGWAJF-NVXWUHKLSA-N 2 2 330.476 1.860 20 0 EDADLP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331504 449207592 /nfs/dbraw/zinc/20/75/92/449207592.db2.gz QIEZRPUGFGWAJF-NVXWUHKLSA-N 2 2 330.476 1.860 20 0 EDADLP CCOC(=O)c1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000600135490 449209437 /nfs/dbraw/zinc/20/94/37/449209437.db2.gz XXXRJOTUMLMBJK-RYQLBKOJSA-N 2 2 347.459 1.942 20 0 EDADLP CCOC(=O)c1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)n1 ZINC000600135490 449209442 /nfs/dbraw/zinc/20/94/42/449209442.db2.gz XXXRJOTUMLMBJK-RYQLBKOJSA-N 2 2 347.459 1.942 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C[C@H](C)O1 ZINC000590849950 449320278 /nfs/dbraw/zinc/32/02/78/449320278.db2.gz KKYPVAQZRIPFIA-IXDOHACOSA-N 2 2 349.479 1.729 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C[C@H](C)O1 ZINC000590849950 449320283 /nfs/dbraw/zinc/32/02/83/449320283.db2.gz KKYPVAQZRIPFIA-IXDOHACOSA-N 2 2 349.479 1.729 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000602123085 449363353 /nfs/dbraw/zinc/36/33/53/449363353.db2.gz TZGZTQYKVFJGMM-MRXNPFEDSA-N 2 2 333.480 1.142 20 0 EDADLP COC(=O)Cc1cc[nH+]c(NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000596120202 449373283 /nfs/dbraw/zinc/37/32/83/449373283.db2.gz HECHLJAOEJNUKC-UHFFFAOYSA-N 2 2 348.447 1.152 20 0 EDADLP CCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000602199269 449428187 /nfs/dbraw/zinc/42/81/87/449428187.db2.gz HEGUIZZIQYSHBV-ZDUSSCGKSA-N 2 2 336.505 1.912 20 0 EDADLP CCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000602199269 449428192 /nfs/dbraw/zinc/42/81/92/449428192.db2.gz HEGUIZZIQYSHBV-ZDUSSCGKSA-N 2 2 336.505 1.912 20 0 EDADLP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614091791 449453710 /nfs/dbraw/zinc/45/37/10/449453710.db2.gz BMRUSYVGSNFXGY-BZSNNMDCSA-N 2 2 346.450 1.691 20 0 EDADLP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614091791 449453713 /nfs/dbraw/zinc/45/37/13/449453713.db2.gz BMRUSYVGSNFXGY-BZSNNMDCSA-N 2 2 346.450 1.691 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000607045109 449566790 /nfs/dbraw/zinc/56/67/90/449566790.db2.gz IOCJAGGHDSRTDA-UHFFFAOYSA-N 2 2 335.496 1.540 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000607045109 449566794 /nfs/dbraw/zinc/56/67/94/449566794.db2.gz IOCJAGGHDSRTDA-UHFFFAOYSA-N 2 2 335.496 1.540 20 0 EDADLP CC(C)OCCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000607183266 449583532 /nfs/dbraw/zinc/58/35/32/449583532.db2.gz CGOIORVGZRNACN-INIZCTEOSA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)OCCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000607183266 449583534 /nfs/dbraw/zinc/58/35/34/449583534.db2.gz CGOIORVGZRNACN-INIZCTEOSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](CCCO)C2CC2)CC1 ZINC000607192923 449584078 /nfs/dbraw/zinc/58/40/78/449584078.db2.gz UCUMKXRHOUZWOQ-QGZVFWFLSA-N 2 2 345.487 1.739 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](CCCO)C2CC2)CC1 ZINC000607192923 449584084 /nfs/dbraw/zinc/58/40/84/449584084.db2.gz UCUMKXRHOUZWOQ-QGZVFWFLSA-N 2 2 345.487 1.739 20 0 EDADLP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000594492978 449556753 /nfs/dbraw/zinc/55/67/53/449556753.db2.gz ACEJLCBLWGUSLB-KRWDZBQOSA-N 2 2 345.443 1.214 20 0 EDADLP C[C@@H](c1cccc(NC(=O)CN2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000601000939 449646079 /nfs/dbraw/zinc/64/60/79/449646079.db2.gz RHBRNZULUGYKAU-INIZCTEOSA-N 2 2 346.475 1.266 20 0 EDADLP COC(=O)c1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)on1 ZINC000602523704 449648416 /nfs/dbraw/zinc/64/84/16/449648416.db2.gz GNVANFOMXNKQGZ-UHFFFAOYSA-N 2 2 333.388 1.691 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000599007480 449694643 /nfs/dbraw/zinc/69/46/43/449694643.db2.gz LMUFCVDWFMPNCX-NVXWUHKLSA-N 2 2 347.459 1.481 20 0 EDADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000599007480 449694652 /nfs/dbraw/zinc/69/46/52/449694652.db2.gz LMUFCVDWFMPNCX-NVXWUHKLSA-N 2 2 347.459 1.481 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1coc(-c2cccnc2)n1 ZINC000617763341 449822232 /nfs/dbraw/zinc/82/22/32/449822232.db2.gz NVXZNVQVVMNLKT-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1coc(-c2cccnc2)n1 ZINC000617763341 449822237 /nfs/dbraw/zinc/82/22/37/449822237.db2.gz NVXZNVQVVMNLKT-UHFFFAOYSA-N 2 2 331.420 1.350 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000617764085 449823719 /nfs/dbraw/zinc/82/37/19/449823719.db2.gz IJCCDQHGCFQSFY-SFHVURJKSA-N 2 2 349.475 1.468 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000617764085 449823722 /nfs/dbraw/zinc/82/37/22/449823722.db2.gz IJCCDQHGCFQSFY-SFHVURJKSA-N 2 2 349.475 1.468 20 0 EDADLP CN1c2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2CCC1=O ZINC000617765943 449828660 /nfs/dbraw/zinc/82/86/60/449828660.db2.gz WZAXNYRGICXVGQ-UHFFFAOYSA-N 2 2 346.475 1.209 20 0 EDADLP CN1c2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2CCC1=O ZINC000617765943 449828665 /nfs/dbraw/zinc/82/86/65/449828665.db2.gz WZAXNYRGICXVGQ-UHFFFAOYSA-N 2 2 346.475 1.209 20 0 EDADLP COc1ccccc1C(C)(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767116 449831734 /nfs/dbraw/zinc/83/17/34/449831734.db2.gz HNMAIXPQGKDBPR-UHFFFAOYSA-N 2 2 335.492 1.973 20 0 EDADLP COc1ccccc1C(C)(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767116 449831736 /nfs/dbraw/zinc/83/17/36/449831736.db2.gz HNMAIXPQGKDBPR-UHFFFAOYSA-N 2 2 335.492 1.973 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000617768136 449834244 /nfs/dbraw/zinc/83/42/44/449834244.db2.gz QLIUMVMERPINLX-INIZCTEOSA-N 2 2 346.475 1.039 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000617768136 449834250 /nfs/dbraw/zinc/83/42/50/449834250.db2.gz QLIUMVMERPINLX-INIZCTEOSA-N 2 2 346.475 1.039 20 0 EDADLP COC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000608446285 449842918 /nfs/dbraw/zinc/84/29/18/449842918.db2.gz XEYKVZKHRSBOEX-KRWDZBQOSA-N 2 2 340.512 1.515 20 0 EDADLP COC(=O)CCN1CC[C@H]([NH+]2CCC(C)([NH+]3CCCC3)CC2)C1=O ZINC000602955896 449956002 /nfs/dbraw/zinc/95/60/02/449956002.db2.gz LZYOWYBNSOPYKC-HNNXBMFYSA-N 2 2 337.464 1.101 20 0 EDADLP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)c1[nH]cc[nH+]1 ZINC000615160376 449984294 /nfs/dbraw/zinc/98/42/94/449984294.db2.gz GTWPWQZBMKYETM-CQSZACIVSA-N 2 2 328.420 1.194 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477720 450001162 /nfs/dbraw/zinc/00/11/62/450001162.db2.gz TZPYZLBSYDBQNM-MRXNPFEDSA-N 2 2 347.507 1.784 20 0 EDADLP CC(C)c1nn(C)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477720 450001166 /nfs/dbraw/zinc/00/11/66/450001166.db2.gz TZPYZLBSYDBQNM-MRXNPFEDSA-N 2 2 347.507 1.784 20 0 EDADLP COC(=O)CC[C@H](C(=O)OC)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000595289905 450005654 /nfs/dbraw/zinc/00/56/54/450005654.db2.gz HKMXXMMQKIHSKB-OAHLLOKOSA-N 2 2 326.437 1.289 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615559335 450146900 /nfs/dbraw/zinc/14/69/00/450146900.db2.gz XTOSNQRWSBHFOJ-JKSUJKDBSA-N 2 2 334.464 1.720 20 0 EDADLP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)CC1 ZINC000613516867 450209662 /nfs/dbraw/zinc/20/96/62/450209662.db2.gz VNTACOGOHLGANT-YESZJQIVSA-N 2 2 345.491 1.120 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000618527438 450231904 /nfs/dbraw/zinc/23/19/04/450231904.db2.gz YWSFMCVWUIFVPQ-KRWDZBQOSA-N 2 2 346.475 1.470 20 0 EDADLP COC(=O)c1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000618527438 450231906 /nfs/dbraw/zinc/23/19/06/450231906.db2.gz YWSFMCVWUIFVPQ-KRWDZBQOSA-N 2 2 346.475 1.470 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603430978 450298764 /nfs/dbraw/zinc/29/87/64/450298764.db2.gz DIZMKKGACPBZOI-WDEREUQCSA-N 2 2 325.434 1.579 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1C ZINC000603433343 450299738 /nfs/dbraw/zinc/29/97/38/450299738.db2.gz MJEUAUDNBZORBX-GHMZBOCLSA-N 2 2 339.461 1.887 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([S@@](C)=O)c3)C2)CC1 ZINC000613774692 450309276 /nfs/dbraw/zinc/30/92/76/450309276.db2.gz UTLCVDCDTHTMDF-OYLFLEFRSA-N 2 2 349.500 1.322 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([S@@](C)=O)c3)C2)CC1 ZINC000613774692 450309280 /nfs/dbraw/zinc/30/92/80/450309280.db2.gz UTLCVDCDTHTMDF-OYLFLEFRSA-N 2 2 349.500 1.322 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)CC1 ZINC000616867492 450504601 /nfs/dbraw/zinc/50/46/01/450504601.db2.gz XADRANALMMHCMU-HNNXBMFYSA-N 2 2 336.480 1.716 20 0 EDADLP C[C@H]1CC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C[NH2+]1 ZINC000625850507 450521292 /nfs/dbraw/zinc/52/12/92/450521292.db2.gz SXDQAACVEZFJJE-HOCLYGCPSA-N 2 2 332.448 1.781 20 0 EDADLP C[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038903 450559437 /nfs/dbraw/zinc/55/94/37/450559437.db2.gz HHXLFDPAUZDZCN-FGTMMUONSA-N 2 2 331.460 1.473 20 0 EDADLP C[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038903 450559439 /nfs/dbraw/zinc/55/94/39/450559439.db2.gz HHXLFDPAUZDZCN-FGTMMUONSA-N 2 2 331.460 1.473 20 0 EDADLP C[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038903 450559441 /nfs/dbraw/zinc/55/94/41/450559441.db2.gz HHXLFDPAUZDZCN-FGTMMUONSA-N 2 2 331.460 1.473 20 0 EDADLP C[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038903 450559442 /nfs/dbraw/zinc/55/94/42/450559442.db2.gz HHXLFDPAUZDZCN-FGTMMUONSA-N 2 2 331.460 1.473 20 0 EDADLP CC[N@H+](Cc1nc(CC(=O)NC)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062639 450565838 /nfs/dbraw/zinc/56/58/38/450565838.db2.gz ZTDCTTRHYRAVAB-UHFFFAOYSA-N 2 2 345.447 1.442 20 0 EDADLP CC[N@@H+](Cc1nc(CC(=O)NC)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062639 450565839 /nfs/dbraw/zinc/56/58/39/450565839.db2.gz ZTDCTTRHYRAVAB-UHFFFAOYSA-N 2 2 345.447 1.442 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620968473 450567253 /nfs/dbraw/zinc/56/72/53/450567253.db2.gz UQVATMANRWBTBR-INIZCTEOSA-N 2 2 344.459 1.914 20 0 EDADLP c1cn2c(cccc2C[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)[nH+]1 ZINC000623781727 450582616 /nfs/dbraw/zinc/58/26/16/450582616.db2.gz ZGKPURHKWQPXDO-SFHVURJKSA-N 2 2 337.427 1.720 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3nc(C4CC4)no3)CC2)CC1 ZINC000631437281 450590761 /nfs/dbraw/zinc/59/07/61/450590761.db2.gz WPNDNPDITCQMKR-UHFFFAOYSA-N 2 2 347.463 1.579 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3nc(C4CC4)no3)CC2)CC1 ZINC000631437281 450590768 /nfs/dbraw/zinc/59/07/68/450590768.db2.gz WPNDNPDITCQMKR-UHFFFAOYSA-N 2 2 347.463 1.579 20 0 EDADLP COC[C@@]1(C)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000626177146 450611692 /nfs/dbraw/zinc/61/16/92/450611692.db2.gz GQERJOPDVVYBBR-HXUWFJFHSA-N 2 2 347.503 1.936 20 0 EDADLP COC[C@@]1(C)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000626177146 450611698 /nfs/dbraw/zinc/61/16/98/450611698.db2.gz GQERJOPDVVYBBR-HXUWFJFHSA-N 2 2 347.503 1.936 20 0 EDADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623999754 450666416 /nfs/dbraw/zinc/66/64/16/450666416.db2.gz AWYYJPQPYGURBV-CYBMUJFWSA-N 2 2 349.389 1.248 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000635137794 450683625 /nfs/dbraw/zinc/68/36/25/450683625.db2.gz RSFKXOWNZYCRAD-MOPGFXCFSA-N 2 2 345.487 1.969 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000635137794 450683628 /nfs/dbraw/zinc/68/36/28/450683628.db2.gz RSFKXOWNZYCRAD-MOPGFXCFSA-N 2 2 345.487 1.969 20 0 EDADLP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000635139432 450686344 /nfs/dbraw/zinc/68/63/44/450686344.db2.gz UBGXKEYFNJJFND-LSDHHAIUSA-N 2 2 337.489 1.579 20 0 EDADLP C[N@H+]1CC[C@@H](CC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000635139432 450686349 /nfs/dbraw/zinc/68/63/49/450686349.db2.gz UBGXKEYFNJJFND-LSDHHAIUSA-N 2 2 337.489 1.579 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542954 450728285 /nfs/dbraw/zinc/72/82/85/450728285.db2.gz PZICLQFSFBLQNQ-RDBSUJKOSA-N 2 2 325.478 1.742 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000629545571 450728886 /nfs/dbraw/zinc/72/88/86/450728886.db2.gz MJXYLYYUILIZGG-UHFFFAOYSA-N 2 2 334.489 1.422 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1)[C@@H]1CCC[NH2+]1 ZINC000629516436 450724190 /nfs/dbraw/zinc/72/41/90/450724190.db2.gz FULGZXQNCFFVNB-HIFRSBDPSA-N 2 2 347.463 1.417 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1)[C@@H]1CCC[NH2+]1 ZINC000629516436 450724192 /nfs/dbraw/zinc/72/41/92/450724192.db2.gz FULGZXQNCFFVNB-HIFRSBDPSA-N 2 2 347.463 1.417 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563669 450737535 /nfs/dbraw/zinc/73/75/35/450737535.db2.gz FAHWRDICGZZJOF-NDBYEHHHSA-N 2 2 337.386 1.129 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563669 450737542 /nfs/dbraw/zinc/73/75/42/450737542.db2.gz FAHWRDICGZZJOF-NDBYEHHHSA-N 2 2 337.386 1.129 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000629570316 450741348 /nfs/dbraw/zinc/74/13/48/450741348.db2.gz WDSXBBVAAAFWHX-UHFFFAOYSA-N 2 2 349.504 1.820 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000629570316 450741350 /nfs/dbraw/zinc/74/13/50/450741350.db2.gz WDSXBBVAAAFWHX-UHFFFAOYSA-N 2 2 349.504 1.820 20 0 EDADLP O=C(C[NH2+]C1CC[NH+](CC2CC2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000624261028 450768927 /nfs/dbraw/zinc/76/89/27/450768927.db2.gz FXRSWLZASFEXPT-UHFFFAOYSA-N 2 2 345.443 1.860 20 0 EDADLP CC[N@H+](CCCNC(=O)NC[C@H]1COCC[NH+]1C)C1CCCCC1 ZINC000624295022 450785393 /nfs/dbraw/zinc/78/53/93/450785393.db2.gz PUMRSFNKTFJFAH-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[N@@H+](CCCNC(=O)NC[C@H]1COCC[NH+]1C)C1CCCCC1 ZINC000624295022 450785399 /nfs/dbraw/zinc/78/53/99/450785399.db2.gz PUMRSFNKTFJFAH-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[NH+](CCCNC(=O)NC[C@H]1COCC[N@@H+]1C)C1CCCCC1 ZINC000624295022 450785407 /nfs/dbraw/zinc/78/54/07/450785407.db2.gz PUMRSFNKTFJFAH-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[NH+](CCCNC(=O)NC[C@H]1COCC[N@H+]1C)C1CCCCC1 ZINC000624295022 450785413 /nfs/dbraw/zinc/78/54/13/450785413.db2.gz PUMRSFNKTFJFAH-KRWDZBQOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1nc2ccccc2n2c[nH+]cc12 ZINC000624330987 450796850 /nfs/dbraw/zinc/79/68/50/450796850.db2.gz KNORHEPOMROZBI-ZDUSSCGKSA-N 2 2 338.415 1.439 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCOc1cccc(F)c1 ZINC000631885710 450846799 /nfs/dbraw/zinc/84/67/99/450846799.db2.gz BIWOFDSJJHCLCH-WMLDXEAASA-N 2 2 335.423 1.395 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCOc1cccc(F)c1 ZINC000631885710 450846805 /nfs/dbraw/zinc/84/68/05/450846805.db2.gz BIWOFDSJJHCLCH-WMLDXEAASA-N 2 2 335.423 1.395 20 0 EDADLP COc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cnc1OC ZINC000626711263 450864743 /nfs/dbraw/zinc/86/47/43/450864743.db2.gz CMLDZOAZVNJYGI-UHFFFAOYSA-N 2 2 339.440 1.104 20 0 EDADLP COc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnc1OC ZINC000626711263 450864747 /nfs/dbraw/zinc/86/47/47/450864747.db2.gz CMLDZOAZVNJYGI-UHFFFAOYSA-N 2 2 339.440 1.104 20 0 EDADLP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000629961753 450921016 /nfs/dbraw/zinc/92/10/16/450921016.db2.gz FVBXBBFMKBZQLY-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000629961753 450921019 /nfs/dbraw/zinc/92/10/19/450921019.db2.gz FVBXBBFMKBZQLY-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000629961753 450921023 /nfs/dbraw/zinc/92/10/23/450921023.db2.gz FVBXBBFMKBZQLY-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000629961753 450921027 /nfs/dbraw/zinc/92/10/27/450921027.db2.gz FVBXBBFMKBZQLY-LPHOPBHVSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000631978712 450936550 /nfs/dbraw/zinc/93/65/50/450936550.db2.gz HFUDIXKFZRDYBH-YOEHRIQHSA-N 2 2 328.416 1.250 20 0 EDADLP C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000631978712 450936554 /nfs/dbraw/zinc/93/65/54/450936554.db2.gz HFUDIXKFZRDYBH-YOEHRIQHSA-N 2 2 328.416 1.250 20 0 EDADLP C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000631978711 450936922 /nfs/dbraw/zinc/93/69/22/450936922.db2.gz HFUDIXKFZRDYBH-WMLDXEAASA-N 2 2 328.416 1.250 20 0 EDADLP C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000631978711 450936927 /nfs/dbraw/zinc/93/69/27/450936927.db2.gz HFUDIXKFZRDYBH-WMLDXEAASA-N 2 2 328.416 1.250 20 0 EDADLP Cc1c[nH+]cn1Cc1nc(-c2ccc(N3CC[NH+](C)CC3)cn2)no1 ZINC000624652961 450942126 /nfs/dbraw/zinc/94/21/26/450942126.db2.gz WTKNCGNLYSDLPJ-UHFFFAOYSA-N 2 2 339.403 1.437 20 0 EDADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000624695998 450953749 /nfs/dbraw/zinc/95/37/49/450953749.db2.gz FPKPLQIXTBGBAL-UHFFFAOYSA-N 2 2 335.411 1.984 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC000635483909 450982263 /nfs/dbraw/zinc/98/22/63/450982263.db2.gz DAYMUYKQRWMJQE-UHFFFAOYSA-N 2 2 330.432 1.771 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)ccc2n1C ZINC000626891068 450987598 /nfs/dbraw/zinc/98/75/98/450987598.db2.gz XEAQHMVNPTXZFJ-MFKMUULPSA-N 2 2 329.404 1.077 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501937 450996821 /nfs/dbraw/zinc/99/68/21/450996821.db2.gz VFCKYDSDUGBWOY-NEPJUHHUSA-N 2 2 334.342 1.214 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635501937 450996825 /nfs/dbraw/zinc/99/68/25/450996825.db2.gz VFCKYDSDUGBWOY-NEPJUHHUSA-N 2 2 334.342 1.214 20 0 EDADLP CN(CCOCC[NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000626927378 451010891 /nfs/dbraw/zinc/01/08/91/451010891.db2.gz MKBLARFSCUXOFU-OAHLLOKOSA-N 2 2 349.410 1.265 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C)[nH+]1 ZINC000627907243 451015938 /nfs/dbraw/zinc/01/59/38/451015938.db2.gz RVMAVPTVGMGKFY-HNNXBMFYSA-N 2 2 330.432 1.770 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(C)[nH+]1 ZINC000627907243 451015942 /nfs/dbraw/zinc/01/59/42/451015942.db2.gz RVMAVPTVGMGKFY-HNNXBMFYSA-N 2 2 330.432 1.770 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000626936593 451018539 /nfs/dbraw/zinc/01/85/39/451018539.db2.gz KAHCASLGTOUXMM-RCCFBDPRSA-N 2 2 346.475 1.500 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000635525669 451023680 /nfs/dbraw/zinc/02/36/80/451023680.db2.gz DCAPELHHSLUMFD-PVAVHDDUSA-N 2 2 332.448 1.019 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000635525669 451023683 /nfs/dbraw/zinc/02/36/83/451023683.db2.gz DCAPELHHSLUMFD-PVAVHDDUSA-N 2 2 332.448 1.019 20 0 EDADLP [NH3+]CC1(NC(=O)NCc2ccccc2-n2cc[nH+]c2)CCOCC1 ZINC000626947863 451026671 /nfs/dbraw/zinc/02/66/71/451026671.db2.gz IPNHDMAPOUQQTR-UHFFFAOYSA-N 2 2 329.404 1.179 20 0 EDADLP O=C(NC1CC([NH+]2CCOCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000627932854 451032436 /nfs/dbraw/zinc/03/24/36/451032436.db2.gz FYHQIXMMLHMPJX-DAWZGUTISA-N 2 2 344.459 1.025 20 0 EDADLP O=C(NC1CC([NH+]2CCOCC2)C1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000627932854 451032441 /nfs/dbraw/zinc/03/24/41/451032441.db2.gz FYHQIXMMLHMPJX-DAWZGUTISA-N 2 2 344.459 1.025 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000635559289 451058317 /nfs/dbraw/zinc/05/83/17/451058317.db2.gz ATBWIMHVIXZEPO-RTBURBONSA-N 2 2 345.487 1.388 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000635559289 451058323 /nfs/dbraw/zinc/05/83/23/451058323.db2.gz ATBWIMHVIXZEPO-RTBURBONSA-N 2 2 345.487 1.388 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000627088279 451119408 /nfs/dbraw/zinc/11/94/08/451119408.db2.gz PJEUGUYLHHLOTN-OCCSQVGLSA-N 2 2 334.468 1.618 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H](C)CCCC[NH3+])nc(C(C)C)[nH+]1 ZINC000627093796 451121409 /nfs/dbraw/zinc/12/14/09/451121409.db2.gz TYFJLADXUBQBET-ZDUSSCGKSA-N 2 2 336.484 2.137 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000635644326 451130777 /nfs/dbraw/zinc/13/07/77/451130777.db2.gz BNRZJVCEASDKMG-ZIAGYGMSSA-N 2 2 327.388 1.652 20 0 EDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000635644326 451130782 /nfs/dbraw/zinc/13/07/82/451130782.db2.gz BNRZJVCEASDKMG-ZIAGYGMSSA-N 2 2 327.388 1.652 20 0 EDADLP COC1CC[NH+](CCNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635658084 451142465 /nfs/dbraw/zinc/14/24/65/451142465.db2.gz HJBBMGZWDNITFB-ZDUSSCGKSA-N 2 2 348.369 1.604 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628125182 451147905 /nfs/dbraw/zinc/14/79/05/451147905.db2.gz NXEVDYUTUJUCPQ-UHFFFAOYSA-N 2 2 337.489 1.747 20 0 EDADLP C[NH+](C)CCn1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cn1 ZINC000632291687 451177221 /nfs/dbraw/zinc/17/72/21/451177221.db2.gz GMRNLDYQDCFRKF-UHFFFAOYSA-N 2 2 338.415 1.560 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627197391 451181427 /nfs/dbraw/zinc/18/14/27/451181427.db2.gz LFRUVWFZYBDHBV-DOTOQJQBSA-N 2 2 346.475 1.663 20 0 EDADLP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000628233880 451189341 /nfs/dbraw/zinc/18/93/41/451189341.db2.gz ZQPHSCAZRLMKBS-KURKYZTESA-N 2 2 337.508 1.726 20 0 EDADLP C[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[C@@H]1CCCO1 ZINC000634194146 451231219 /nfs/dbraw/zinc/23/12/19/451231219.db2.gz LKSRTLPNGUHKSP-HOCLYGCPSA-N 2 2 332.448 1.977 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000634193104 451228490 /nfs/dbraw/zinc/22/84/90/451228490.db2.gz BOSKXDQCNJIICW-ZIAGYGMSSA-N 2 2 345.447 1.064 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000632383682 451240519 /nfs/dbraw/zinc/24/05/19/451240519.db2.gz DOZDHAPKOBRKJL-UHFFFAOYSA-N 2 2 347.463 1.093 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000636539448 451283181 /nfs/dbraw/zinc/28/31/81/451283181.db2.gz RGTCYXDIMMXHBL-UHFFFAOYSA-N 2 2 335.452 1.139 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000636539448 451283187 /nfs/dbraw/zinc/28/31/87/451283187.db2.gz RGTCYXDIMMXHBL-UHFFFAOYSA-N 2 2 335.452 1.139 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3ccc(O)cc3)c2)CC1 ZINC000634195767 451231935 /nfs/dbraw/zinc/23/19/35/451231935.db2.gz DMQWZUQLYFPJPP-UHFFFAOYSA-N 2 2 326.400 1.720 20 0 EDADLP CC(C)[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+]1CCC(C)CC1 ZINC000636551099 451291489 /nfs/dbraw/zinc/29/14/89/451291489.db2.gz NUWLJZNXSWHNHP-RDJZCZTQSA-N 2 2 333.480 1.864 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636563277 451305518 /nfs/dbraw/zinc/30/55/18/451305518.db2.gz QYLOCALWWZVKNI-XHSDSOJGSA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636563277 451305525 /nfs/dbraw/zinc/30/55/25/451305525.db2.gz QYLOCALWWZVKNI-XHSDSOJGSA-N 2 2 333.480 1.865 20 0 EDADLP CN1CC[NH+](Cc2ccc(NCC(C)(C)[NH+]3CCOCC3)cc2)CC1 ZINC000638189169 451348200 /nfs/dbraw/zinc/34/82/00/451348200.db2.gz QOSSSCBXBIODRD-UHFFFAOYSA-N 2 2 346.519 1.957 20 0 EDADLP C[NH+]1CCN(Cc2ccc(NCC(C)(C)[NH+]3CCOCC3)cc2)CC1 ZINC000638189169 451348204 /nfs/dbraw/zinc/34/82/04/451348204.db2.gz QOSSSCBXBIODRD-UHFFFAOYSA-N 2 2 346.519 1.957 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccco1 ZINC000636661921 451392967 /nfs/dbraw/zinc/39/29/67/451392967.db2.gz HROWMIJMPAEUSY-HIFRSBDPSA-N 2 2 331.420 1.783 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CCC3C[NH2+]C3)c2)CC1 ZINC000638301534 451416478 /nfs/dbraw/zinc/41/64/78/451416478.db2.gz KHLZYKGKPVYPKS-UHFFFAOYSA-N 2 2 344.459 1.289 20 0 EDADLP C[C@@H]1C[NH+](CCCNC(=O)Nc2cc[nH+]c(N(C)C)c2)C[C@@H](C)O1 ZINC000640609880 451456716 /nfs/dbraw/zinc/45/67/16/451456716.db2.gz OGSDPANUBLNDSY-ZIAGYGMSSA-N 2 2 335.452 1.768 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640615929 451463146 /nfs/dbraw/zinc/46/31/46/451463146.db2.gz GPCINOKJMGOZHY-INIZCTEOSA-N 2 2 335.452 1.064 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000640599780 451445276 /nfs/dbraw/zinc/44/52/76/451445276.db2.gz GYAUNLJKATWIEO-HNNXBMFYSA-N 2 2 347.463 1.724 20 0 EDADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634719193 451500241 /nfs/dbraw/zinc/50/02/41/451500241.db2.gz POZVDAPKOMKFQN-QWHCGFSZSA-N 2 2 337.247 1.245 20 0 EDADLP COc1cc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccn1 ZINC000638482369 451535139 /nfs/dbraw/zinc/53/51/39/451535139.db2.gz RACRWWHRFPXVHP-WBVHZDCISA-N 2 2 348.491 1.554 20 0 EDADLP COc1cc(C[C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccn1 ZINC000638482369 451535143 /nfs/dbraw/zinc/53/51/43/451535143.db2.gz RACRWWHRFPXVHP-WBVHZDCISA-N 2 2 348.491 1.554 20 0 EDADLP C[NH+](C)CC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CC1 ZINC000636160150 451554943 /nfs/dbraw/zinc/55/49/43/451554943.db2.gz MUKFPYZVAGETKE-MSOLQXFVSA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+](C)CC1(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CC1 ZINC000636160150 451554949 /nfs/dbraw/zinc/55/49/49/451554949.db2.gz MUKFPYZVAGETKE-MSOLQXFVSA-N 2 2 343.471 1.440 20 0 EDADLP Cc1cc(NCCNC(=O)C2([NH3+])CC3(CCC3)C2)nc(C(C)C)[nH+]1 ZINC000638584509 451589696 /nfs/dbraw/zinc/58/96/96/451589696.db2.gz MNGNAPBRXLNOFP-UHFFFAOYSA-N 2 2 331.464 2.098 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636900243 451592273 /nfs/dbraw/zinc/59/22/73/451592273.db2.gz QCDYYCZRNSGDQK-MRXNPFEDSA-N 2 2 333.480 1.865 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000632837850 451606966 /nfs/dbraw/zinc/60/69/66/451606966.db2.gz SEHZEMQDDUMOJY-UHFFFAOYSA-N 2 2 343.431 1.584 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000638616679 451610233 /nfs/dbraw/zinc/61/02/33/451610233.db2.gz OJLPIRVRVKEQKO-CVEARBPZSA-N 2 2 346.475 1.598 20 0 EDADLP Cc1ncc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)o1 ZINC000631156761 451615528 /nfs/dbraw/zinc/61/55/28/451615528.db2.gz CMHAHFIGZVMVAD-UHFFFAOYSA-N 2 2 331.416 1.984 20 0 EDADLP CN(C)C1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631159112 451616560 /nfs/dbraw/zinc/61/65/60/451616560.db2.gz AHGKJISJVKLCNE-UHFFFAOYSA-N 2 2 333.476 1.581 20 0 EDADLP CCn1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)n1 ZINC000631160104 451616657 /nfs/dbraw/zinc/61/66/57/451616657.db2.gz BLAOYIATNMOSHQ-UHFFFAOYSA-N 2 2 344.459 1.904 20 0 EDADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631180973 451630341 /nfs/dbraw/zinc/63/03/41/451630341.db2.gz YCEVOYPAIKJSDY-CQSZACIVSA-N 2 2 343.422 1.381 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991179 451639921 /nfs/dbraw/zinc/63/99/21/451639921.db2.gz STNSFRXYKMQRBY-UHFFFAOYSA-N 2 2 339.443 1.194 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991179 451639926 /nfs/dbraw/zinc/63/99/26/451639926.db2.gz STNSFRXYKMQRBY-UHFFFAOYSA-N 2 2 339.443 1.194 20 0 EDADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000635017532 451652248 /nfs/dbraw/zinc/65/22/48/451652248.db2.gz DZFHUVWZUNCCAB-UBHSHLNASA-N 2 2 327.354 1.930 20 0 EDADLP C[C@H](OCc1ccncc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000631276615 451677265 /nfs/dbraw/zinc/67/72/65/451677265.db2.gz RFEBWZBAPVBGEU-INIZCTEOSA-N 2 2 348.491 1.471 20 0 EDADLP C[C@H](OCc1ccncc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000631276615 451677266 /nfs/dbraw/zinc/67/72/66/451677266.db2.gz RFEBWZBAPVBGEU-INIZCTEOSA-N 2 2 348.491 1.471 20 0 EDADLP [NH3+][C@@H]1CCCCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000638818738 451700356 /nfs/dbraw/zinc/70/03/56/451700356.db2.gz FKBFCOUDBQFGEH-QGZVFWFLSA-N 2 2 331.460 1.862 20 0 EDADLP Cc1cccn2cc(Cn3cc(C[N@@H+]4CCC[C@H]4CO)nn3)[nH+]c12 ZINC000640953938 451702432 /nfs/dbraw/zinc/70/24/32/451702432.db2.gz UTIRVYOAXOFWCB-INIZCTEOSA-N 2 2 326.404 1.239 20 0 EDADLP Cc1cccn2cc(Cn3cc(C[N@H+]4CCC[C@H]4CO)nn3)[nH+]c12 ZINC000640953938 451702436 /nfs/dbraw/zinc/70/24/36/451702436.db2.gz UTIRVYOAXOFWCB-INIZCTEOSA-N 2 2 326.404 1.239 20 0 EDADLP OC[C@@H]1CCC[N@@H+]1Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000640879678 451669320 /nfs/dbraw/zinc/66/93/20/451669320.db2.gz HHFFKJADJDCDEC-SFHVURJKSA-N 2 2 338.415 1.469 20 0 EDADLP OC[C@@H]1CCC[N@H+]1Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000640879678 451669325 /nfs/dbraw/zinc/66/93/25/451669325.db2.gz HHFFKJADJDCDEC-SFHVURJKSA-N 2 2 338.415 1.469 20 0 EDADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C2 ZINC000638734136 451670327 /nfs/dbraw/zinc/67/03/27/451670327.db2.gz ZLLIHCXEOMVPIJ-FPMFFAJLSA-N 2 2 330.354 1.835 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636475643 451727577 /nfs/dbraw/zinc/72/75/77/451727577.db2.gz ZGYCQGSOLRKUBS-JKSUJKDBSA-N 2 2 325.416 1.382 20 0 EDADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636475643 451727579 /nfs/dbraw/zinc/72/75/79/451727579.db2.gz ZGYCQGSOLRKUBS-JKSUJKDBSA-N 2 2 325.416 1.382 20 0 EDADLP [NH3+][C@@H](c1cn(Cc2c[nH+]cn2Cc2ccccc2)nn1)[C@@H]1CCCO1 ZINC000641038031 451738067 /nfs/dbraw/zinc/73/80/67/451738067.db2.gz CDIDYPQXASYTQV-ROUUACIJSA-N 2 2 338.415 1.750 20 0 EDADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N1C[C@H]([NH3+])C[C@@H]1C)CC2 ZINC000638933829 451739555 /nfs/dbraw/zinc/73/95/55/451739555.db2.gz ZFXLFTIBMMLQHA-SWLSCSKDSA-N 2 2 333.432 1.010 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1C[C@H]([NH3+])C[C@@H]1C)CC2 ZINC000638933829 451739556 /nfs/dbraw/zinc/73/95/56/451739556.db2.gz ZFXLFTIBMMLQHA-SWLSCSKDSA-N 2 2 333.432 1.010 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000639072704 451761346 /nfs/dbraw/zinc/76/13/46/451761346.db2.gz ZGTWSOHCXRKCMU-LLVKDONJSA-N 2 2 340.836 1.289 20 0 EDADLP CC[C@](C)([NH3+])c1cn(C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nn1 ZINC000641213678 451783137 /nfs/dbraw/zinc/78/31/37/451783137.db2.gz LYNLXKHZUDGEGC-KDOFPFPSSA-N 2 2 342.447 1.890 20 0 EDADLP C[N@H+](Cc1cc2c(cn1)OCCO2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172016 451784555 /nfs/dbraw/zinc/78/45/55/451784555.db2.gz GBVBJQQESJGRHZ-QGZVFWFLSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@@H+](Cc1cc2c(cn1)OCCO2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172016 451784558 /nfs/dbraw/zinc/78/45/58/451784558.db2.gz GBVBJQQESJGRHZ-QGZVFWFLSA-N 2 2 346.475 1.453 20 0 EDADLP CN(Cc1cc2c(cn1)OCCO2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000639172016 451784562 /nfs/dbraw/zinc/78/45/62/451784562.db2.gz GBVBJQQESJGRHZ-QGZVFWFLSA-N 2 2 346.475 1.453 20 0 EDADLP CN(Cc1cc2c(cn1)OCCO2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000639172016 451784565 /nfs/dbraw/zinc/78/45/65/451784565.db2.gz GBVBJQQESJGRHZ-QGZVFWFLSA-N 2 2 346.475 1.453 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000641251085 451793908 /nfs/dbraw/zinc/79/39/08/451793908.db2.gz LKVHYJKSOQNKPM-UHFFFAOYSA-N 2 2 334.445 1.031 20 0 EDADLP C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000641270165 451800197 /nfs/dbraw/zinc/80/01/97/451800197.db2.gz CQOAJEOORZTCPF-HNNXBMFYSA-N 2 2 348.472 1.249 20 0 EDADLP C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000641270165 451800200 /nfs/dbraw/zinc/80/02/00/451800200.db2.gz CQOAJEOORZTCPF-HNNXBMFYSA-N 2 2 348.472 1.249 20 0 EDADLP C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639316810 451822784 /nfs/dbraw/zinc/82/27/84/451822784.db2.gz MDVRPJLQOIZVSN-MRXNPFEDSA-N 2 2 326.448 1.051 20 0 EDADLP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639316810 451822793 /nfs/dbraw/zinc/82/27/93/451822793.db2.gz MDVRPJLQOIZVSN-MRXNPFEDSA-N 2 2 326.448 1.051 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@]1(C)CO ZINC000639331736 451830755 /nfs/dbraw/zinc/83/07/55/451830755.db2.gz YHPDHHLLFJZSIS-YLJYHZDGSA-N 2 2 348.487 1.848 20 0 EDADLP C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](c2ccccc2)C1 ZINC000649101346 451844685 /nfs/dbraw/zinc/84/46/85/451844685.db2.gz VWGNWSQTYKBJAR-KURKYZTESA-N 2 2 338.455 1.907 20 0 EDADLP C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](c2ccccc2)C1 ZINC000649101346 451844690 /nfs/dbraw/zinc/84/46/90/451844690.db2.gz VWGNWSQTYKBJAR-KURKYZTESA-N 2 2 338.455 1.907 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646796045 451845013 /nfs/dbraw/zinc/84/50/13/451845013.db2.gz HVYQNZFKJZFCGJ-LJQANCHMSA-N 2 2 345.487 1.657 20 0 EDADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644548238 451855182 /nfs/dbraw/zinc/85/51/82/451855182.db2.gz WAWQASMRRJKRFQ-ZIAGYGMSSA-N 2 2 343.265 1.873 20 0 EDADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644548238 451855192 /nfs/dbraw/zinc/85/51/92/451855192.db2.gz WAWQASMRRJKRFQ-ZIAGYGMSSA-N 2 2 343.265 1.873 20 0 EDADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637439738 451855833 /nfs/dbraw/zinc/85/58/33/451855833.db2.gz ARWPZMVKSGYNPA-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637439738 451855834 /nfs/dbraw/zinc/85/58/34/451855834.db2.gz ARWPZMVKSGYNPA-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000649123926 451860089 /nfs/dbraw/zinc/86/00/89/451860089.db2.gz QACCLAUUQQRGKX-MSOLQXFVSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000649123926 451860097 /nfs/dbraw/zinc/86/00/97/451860097.db2.gz QACCLAUUQQRGKX-MSOLQXFVSA-N 2 2 335.492 1.717 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637447187 451863258 /nfs/dbraw/zinc/86/32/58/451863258.db2.gz WPIPONONKJHQEV-QGZVFWFLSA-N 2 2 334.464 1.090 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637447187 451863264 /nfs/dbraw/zinc/86/32/64/451863264.db2.gz WPIPONONKJHQEV-QGZVFWFLSA-N 2 2 334.464 1.090 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(=O)N1CCCC[C@H]1C ZINC000644563119 451864789 /nfs/dbraw/zinc/86/47/89/451864789.db2.gz MLVFBGZRTDHLQJ-ZIFCJYIRSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(=O)N1CCCC[C@H]1C ZINC000644563119 451864793 /nfs/dbraw/zinc/86/47/93/451864793.db2.gz MLVFBGZRTDHLQJ-ZIFCJYIRSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C1 ZINC000641366065 451898834 /nfs/dbraw/zinc/89/88/34/451898834.db2.gz VKLWXQBGHDHUFN-AWEZNQCLSA-N 2 2 337.489 1.295 20 0 EDADLP C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cccc3c2CC[NH+](C)C3)C1 ZINC000641366065 451898839 /nfs/dbraw/zinc/89/88/39/451898839.db2.gz VKLWXQBGHDHUFN-AWEZNQCLSA-N 2 2 337.489 1.295 20 0 EDADLP C[C@H]1CC[NH+](CCNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)C1 ZINC000641366065 451898844 /nfs/dbraw/zinc/89/88/44/451898844.db2.gz VKLWXQBGHDHUFN-AWEZNQCLSA-N 2 2 337.489 1.295 20 0 EDADLP C[C@H]1CC[NH+](CCNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)C1 ZINC000641366065 451898850 /nfs/dbraw/zinc/89/88/50/451898850.db2.gz VKLWXQBGHDHUFN-AWEZNQCLSA-N 2 2 337.489 1.295 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000641383447 451918586 /nfs/dbraw/zinc/91/85/86/451918586.db2.gz VUTUKIZFIWKYAB-UHFFFAOYSA-N 2 2 326.466 1.163 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641387593 451922737 /nfs/dbraw/zinc/92/27/37/451922737.db2.gz FZBUQHHBIIGQAF-OAHLLOKOSA-N 2 2 328.482 1.171 20 0 EDADLP CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641387593 451922739 /nfs/dbraw/zinc/92/27/39/451922739.db2.gz FZBUQHHBIIGQAF-OAHLLOKOSA-N 2 2 328.482 1.171 20 0 EDADLP COc1ccc(C[NH+]2CCN(C(=O)CCC(C)(C)[NH3+])CC2)cc1F ZINC000649280389 451952096 /nfs/dbraw/zinc/95/20/96/451952096.db2.gz LRXCLUWWJVRNFA-UHFFFAOYSA-N 2 2 337.439 1.996 20 0 EDADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000649279693 451951113 /nfs/dbraw/zinc/95/11/13/451951113.db2.gz NDPGEUFCTKWGPS-FVQHAEBGSA-N 2 2 349.862 1.328 20 0 EDADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@]1([NH3+])CCN(C)C1 ZINC000649290795 451965754 /nfs/dbraw/zinc/96/57/54/451965754.db2.gz SWIBNKDAAYVINK-LJQANCHMSA-N 2 2 348.491 1.056 20 0 EDADLP COC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000649306588 451983823 /nfs/dbraw/zinc/98/38/23/451983823.db2.gz ZPKZTXXXGPLVOI-GOSISDBHSA-N 2 2 333.432 1.226 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H](C)O1 ZINC000637655126 452000055 /nfs/dbraw/zinc/00/00/55/452000055.db2.gz NUNLZRRVRCKOSW-OHFALNGGSA-N 2 2 338.496 1.362 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H](C)O1 ZINC000637655126 452000058 /nfs/dbraw/zinc/00/00/58/452000058.db2.gz NUNLZRRVRCKOSW-OHFALNGGSA-N 2 2 338.496 1.362 20 0 EDADLP CC[C@@H]1CN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000647008865 452002013 /nfs/dbraw/zinc/00/20/13/452002013.db2.gz VWBKETMXORTNEZ-QAPCUYQASA-N 2 2 331.460 1.718 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653588469 452028327 /nfs/dbraw/zinc/02/83/27/452028327.db2.gz XQWHMOGXUDLAHS-QGZVFWFLSA-N 2 2 342.443 1.784 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653588469 452028334 /nfs/dbraw/zinc/02/83/34/452028334.db2.gz XQWHMOGXUDLAHS-QGZVFWFLSA-N 2 2 342.443 1.784 20 0 EDADLP COc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000651710653 452028655 /nfs/dbraw/zinc/02/86/55/452028655.db2.gz JTZWWOSSPJRCMY-MRXNPFEDSA-N 2 2 337.439 1.330 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641500801 452032600 /nfs/dbraw/zinc/03/26/00/452032600.db2.gz LRAOSTPNLONFSX-CQSZACIVSA-N 2 2 339.505 1.682 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000641500801 452032606 /nfs/dbraw/zinc/03/26/06/452032606.db2.gz LRAOSTPNLONFSX-CQSZACIVSA-N 2 2 339.505 1.682 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641500801 452032611 /nfs/dbraw/zinc/03/26/11/452032611.db2.gz LRAOSTPNLONFSX-CQSZACIVSA-N 2 2 339.505 1.682 20 0 EDADLP CC(C)[NH+](C)C[C@@H](C)NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641500801 452032617 /nfs/dbraw/zinc/03/26/17/452032617.db2.gz LRAOSTPNLONFSX-CQSZACIVSA-N 2 2 339.505 1.682 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000649351447 452035071 /nfs/dbraw/zinc/03/50/71/452035071.db2.gz ZTEGIYWYVYFLRN-QAPCUYQASA-N 2 2 348.466 1.452 20 0 EDADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000644868209 452040097 /nfs/dbraw/zinc/04/00/97/452040097.db2.gz FRGFMWWERSGGSG-XIRDDKMYSA-N 2 2 342.443 1.767 20 0 EDADLP C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000644868209 452040104 /nfs/dbraw/zinc/04/01/04/452040104.db2.gz FRGFMWWERSGGSG-XIRDDKMYSA-N 2 2 342.443 1.767 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651733458 452043600 /nfs/dbraw/zinc/04/36/00/452043600.db2.gz ICZMNMQIPIQTDA-RBUKOAKNSA-N 2 2 341.459 1.735 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000649370727 452047517 /nfs/dbraw/zinc/04/75/17/452047517.db2.gz WHTIBDBLXIEPKK-GOSISDBHSA-N 2 2 343.471 1.923 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000637753324 452058014 /nfs/dbraw/zinc/05/80/14/452058014.db2.gz RGXFOEGRIOHQHW-MRXNPFEDSA-N 2 2 327.432 1.825 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc4c(nn3)CCC4)CC2)CC1 ZINC000643197230 452064190 /nfs/dbraw/zinc/06/41/90/452064190.db2.gz PKZAQOVRMFZYEJ-UHFFFAOYSA-N 2 2 329.492 1.962 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(c3cc4c(nn3)CCC4)CC2)CC1 ZINC000643197230 452064196 /nfs/dbraw/zinc/06/41/96/452064196.db2.gz PKZAQOVRMFZYEJ-UHFFFAOYSA-N 2 2 329.492 1.962 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415230 452078806 /nfs/dbraw/zinc/07/88/06/452078806.db2.gz QFQYUSVGGKAHIE-JYJNAYRXSA-N 2 2 333.480 1.828 20 0 EDADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415230 452078811 /nfs/dbraw/zinc/07/88/11/452078811.db2.gz QFQYUSVGGKAHIE-JYJNAYRXSA-N 2 2 333.480 1.828 20 0 EDADLP COc1cc(OC)c(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1F ZINC000651818914 452096890 /nfs/dbraw/zinc/09/68/90/452096890.db2.gz KKDHLMZUGBVSDW-AWEZNQCLSA-N 2 2 326.412 1.779 20 0 EDADLP COc1cc(OC)c(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1F ZINC000651818914 452096895 /nfs/dbraw/zinc/09/68/95/452096895.db2.gz KKDHLMZUGBVSDW-AWEZNQCLSA-N 2 2 326.412 1.779 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761474 452099212 /nfs/dbraw/zinc/09/92/12/452099212.db2.gz ICVWUFWYXUAREW-APWZRJJASA-N 2 2 333.476 1.422 20 0 EDADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761474 452099219 /nfs/dbraw/zinc/09/92/19/452099219.db2.gz ICVWUFWYXUAREW-APWZRJJASA-N 2 2 333.476 1.422 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639766032 452107569 /nfs/dbraw/zinc/10/75/69/452107569.db2.gz NAXFYRKURFBILW-QFBILLFUSA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000639766032 452107576 /nfs/dbraw/zinc/10/75/76/452107576.db2.gz NAXFYRKURFBILW-QFBILLFUSA-N 2 2 333.476 1.388 20 0 EDADLP O=C1C[C@@H]([NH2+]C2CCC(F)(F)CC2)CN1CC[NH+]1CCOCC1 ZINC000647185154 452111668 /nfs/dbraw/zinc/11/16/68/452111668.db2.gz QVOPWTSCZJOYFK-CQSZACIVSA-N 2 2 331.407 1.087 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1[C@@H]1CCCOC1 ZINC000637864046 452120730 /nfs/dbraw/zinc/12/07/30/452120730.db2.gz KWGQQHXJZZMPCR-CVEARBPZSA-N 2 2 334.464 1.171 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1[C@@H]1CCCOC1 ZINC000637864046 452120733 /nfs/dbraw/zinc/12/07/33/452120733.db2.gz KWGQQHXJZZMPCR-CVEARBPZSA-N 2 2 334.464 1.171 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2n(n1)CCCC2 ZINC000647288745 452168398 /nfs/dbraw/zinc/16/83/98/452168398.db2.gz NMLNFQFGBOJQCF-OAHLLOKOSA-N 2 2 347.507 1.813 20 0 EDADLP CSc1ccc[nH+]c1NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000651971367 452196693 /nfs/dbraw/zinc/19/66/93/452196693.db2.gz BPZSVHYJNFYGCN-UHFFFAOYSA-N 2 2 330.461 1.957 20 0 EDADLP C[NH+](C)CCN1CC[N@H+](CCCOCCc2ccccc2)CC1=O ZINC000649687701 452198408 /nfs/dbraw/zinc/19/84/08/452198408.db2.gz AZAFFRCAPUOTLH-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP C[NH+](C)CCN1CC[N@@H+](CCCOCCc2ccccc2)CC1=O ZINC000649687701 452198411 /nfs/dbraw/zinc/19/84/11/452198411.db2.gz AZAFFRCAPUOTLH-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP COCC1(CCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000645234707 452227956 /nfs/dbraw/zinc/22/79/56/452227956.db2.gz WMDTUNOBTUOZCG-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP COCC1(CCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000645234707 452227964 /nfs/dbraw/zinc/22/79/64/452227964.db2.gz WMDTUNOBTUOZCG-HNNXBMFYSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NCc3ccncc3N)[nH+]c2)CC1 ZINC000641738138 452228383 /nfs/dbraw/zinc/22/83/83/452228383.db2.gz JQNZPBBMMUURSY-UHFFFAOYSA-N 2 2 326.448 2.201 20 0 EDADLP CC[C@H](C)Oc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1OC ZINC000647486082 452230797 /nfs/dbraw/zinc/23/07/97/452230797.db2.gz ICBNBICEFFZJII-HNNXBMFYSA-N 2 2 349.475 1.736 20 0 EDADLP CC[C@H](C)Oc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1OC ZINC000647486082 452230802 /nfs/dbraw/zinc/23/08/02/452230802.db2.gz ICBNBICEFFZJII-HNNXBMFYSA-N 2 2 349.475 1.736 20 0 EDADLP Fc1ccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c(F)c1 ZINC000643462935 452234473 /nfs/dbraw/zinc/23/44/73/452234473.db2.gz OMVNMLDYBPXTKU-JCGIZDLHSA-N 2 2 337.414 1.900 20 0 EDADLP O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657436290 452246005 /nfs/dbraw/zinc/24/60/05/452246005.db2.gz ROESXFCJUJRMRA-UHFFFAOYSA-N 2 2 346.456 1.659 20 0 EDADLP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC000641785962 452257804 /nfs/dbraw/zinc/25/78/04/452257804.db2.gz MWSKVJLGEHWYEQ-RCCFBDPRSA-N 2 2 325.497 1.330 20 0 EDADLP COc1ccc(C[C@H]2CCCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000649793076 452260745 /nfs/dbraw/zinc/26/07/45/452260745.db2.gz WNCKVNKVYIUFGP-GOSISDBHSA-N 2 2 345.487 1.866 20 0 EDADLP COc1ccc(C[C@H]2CCCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000649793076 452260752 /nfs/dbraw/zinc/26/07/52/452260752.db2.gz WNCKVNKVYIUFGP-GOSISDBHSA-N 2 2 345.487 1.866 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H](O)[C@@H]3CCOC3)c2cc1C ZINC000647527808 452261857 /nfs/dbraw/zinc/26/18/57/452261857.db2.gz VJJIYEWUTFEGLU-RKVPGOIHSA-N 2 2 333.432 1.001 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)c[nH+]2)CC1 ZINC000659432665 452279965 /nfs/dbraw/zinc/27/99/65/452279965.db2.gz IOLUWGUTBKICDL-HZPDHXFCSA-N 2 2 349.454 1.899 20 0 EDADLP CC(C)OCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665717552 452282245 /nfs/dbraw/zinc/28/22/45/452282245.db2.gz GKNCXWNQYWSMIJ-OAHLLOKOSA-N 2 2 340.512 1.658 20 0 EDADLP CC(C)OCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665717552 452282257 /nfs/dbraw/zinc/28/22/57/452282257.db2.gz GKNCXWNQYWSMIJ-OAHLLOKOSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@]12COC[C@]1(C)C[N@@H+](CC(=O)N1CC[NH+](Cc3ccco3)CC1)C2 ZINC000661489982 452292760 /nfs/dbraw/zinc/29/27/60/452292760.db2.gz JQJBPJPGEGTSNB-KDURUIRLSA-N 2 2 347.459 1.282 20 0 EDADLP C[C@@]12COC[C@]1(C)C[N@H+](CC(=O)N1CC[NH+](Cc3ccco3)CC1)C2 ZINC000661489982 452292771 /nfs/dbraw/zinc/29/27/71/452292771.db2.gz JQJBPJPGEGTSNB-KDURUIRLSA-N 2 2 347.459 1.282 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)NCCC[NH+]3CCCCC3)cc2[nH+]1 ZINC000657513434 452294383 /nfs/dbraw/zinc/29/43/83/452294383.db2.gz OSGZBRQBYRIIGV-UHFFFAOYSA-N 2 2 343.431 1.573 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652100746 452295039 /nfs/dbraw/zinc/29/50/39/452295039.db2.gz WDKBFTIWLUENKY-ZBFHGGJFSA-N 2 2 332.448 1.084 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659451632 452300570 /nfs/dbraw/zinc/30/05/70/452300570.db2.gz TXWQZHJSDHOYMQ-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659451632 452300580 /nfs/dbraw/zinc/30/05/80/452300580.db2.gz TXWQZHJSDHOYMQ-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659450902 452301253 /nfs/dbraw/zinc/30/12/53/452301253.db2.gz HOFDIHFQBGZYRZ-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659450902 452301257 /nfs/dbraw/zinc/30/12/57/452301257.db2.gz HOFDIHFQBGZYRZ-RDJZCZTQSA-N 2 2 338.496 1.128 20 0 EDADLP CCC1([NH+]2CCCC2)CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000639987297 452317174 /nfs/dbraw/zinc/31/71/74/452317174.db2.gz ANNPKWYGKLZCTN-UHFFFAOYSA-N 2 2 343.475 1.836 20 0 EDADLP CCO[C@@H]1CN(C(=O)NCc2ccc(N(CC)CC)[nH+]c2)C[C@H]1C[NH3+] ZINC000652125810 452322023 /nfs/dbraw/zinc/32/20/23/452322023.db2.gz HMORONNDDMIJAC-HZPDHXFCSA-N 2 2 349.479 1.433 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cnc(C[NH3+])nc3)n2)C1 ZINC000638050941 452324725 /nfs/dbraw/zinc/32/47/25/452324725.db2.gz WCRMDJYHWAPYEU-LLVKDONJSA-N 2 2 346.460 1.876 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cnc(C[NH3+])nc3)n2)C1 ZINC000638050941 452324732 /nfs/dbraw/zinc/32/47/32/452324732.db2.gz WCRMDJYHWAPYEU-LLVKDONJSA-N 2 2 346.460 1.876 20 0 EDADLP C[C@@H](CCO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649870034 452332867 /nfs/dbraw/zinc/33/28/67/452332867.db2.gz SNKAPKJAKZWOPX-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP C[C@@H](CCO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649870034 452332876 /nfs/dbraw/zinc/33/28/76/452332876.db2.gz SNKAPKJAKZWOPX-AWEZNQCLSA-N 2 2 325.478 1.095 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638053577 452333305 /nfs/dbraw/zinc/33/33/05/452333305.db2.gz JPCQTPRVPBZRBP-QZTJIDSGSA-N 2 2 329.444 1.532 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CCC([NH+](C)C)CC3)cc2[nH+]1 ZINC000657565849 452337244 /nfs/dbraw/zinc/33/72/44/452337244.db2.gz KZNOAVLFGWEZLE-UHFFFAOYSA-N 2 2 329.404 1.134 20 0 EDADLP COC[C@]1(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCCC[NH2+]1 ZINC000638054543 452337778 /nfs/dbraw/zinc/33/77/78/452337778.db2.gz DYESMNLADCSYGK-RKVPGOIHSA-N 2 2 341.496 1.149 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000638056159 452340524 /nfs/dbraw/zinc/34/05/24/452340524.db2.gz WUZVDTAHFKKQPQ-MSOLQXFVSA-N 2 2 333.476 1.940 20 0 EDADLP CO[C@@H]1C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@](C)(CO)C1 ZINC000640007355 452343348 /nfs/dbraw/zinc/34/33/48/452343348.db2.gz DKOGZSLMRXCCJT-BXWFABGCSA-N 2 2 347.459 1.486 20 0 EDADLP CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)[C@](C)(CO)C1 ZINC000640007355 452343358 /nfs/dbraw/zinc/34/33/58/452343358.db2.gz DKOGZSLMRXCCJT-BXWFABGCSA-N 2 2 347.459 1.486 20 0 EDADLP C[NH+]1CCC2(CC1)CN(C(=O)NCc1ccn3cc[nH+]c3c1)CCO2 ZINC000645370679 452348810 /nfs/dbraw/zinc/34/88/10/452348810.db2.gz WJWGSUWNHQJFTF-UHFFFAOYSA-N 2 2 343.431 1.341 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000638059045 452349639 /nfs/dbraw/zinc/34/96/39/452349639.db2.gz FEDSSNBRFJTVKT-MAUKXSAKSA-N 2 2 332.448 1.455 20 0 EDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638061830 452355609 /nfs/dbraw/zinc/35/56/09/452355609.db2.gz IHNLBVFRMKCBDW-INIZCTEOSA-N 2 2 340.512 1.153 20 0 EDADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638061830 452355617 /nfs/dbraw/zinc/35/56/17/452355617.db2.gz IHNLBVFRMKCBDW-INIZCTEOSA-N 2 2 340.512 1.153 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000652172497 452368736 /nfs/dbraw/zinc/36/87/36/452368736.db2.gz ADRRAVCZNJQNNN-QGZVFWFLSA-N 2 2 339.443 1.879 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C1 ZINC000657598965 452372110 /nfs/dbraw/zinc/37/21/10/452372110.db2.gz XHGPCVAGMIMCNU-NEWSRXKRSA-N 2 2 334.460 1.580 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C1 ZINC000657598965 452372115 /nfs/dbraw/zinc/37/21/15/452372115.db2.gz XHGPCVAGMIMCNU-NEWSRXKRSA-N 2 2 334.460 1.580 20 0 EDADLP CCCc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000645407638 452378261 /nfs/dbraw/zinc/37/82/61/452378261.db2.gz LSOCIBDBUGCLKZ-AWEZNQCLSA-N 2 2 334.464 1.834 20 0 EDADLP CCCc1nc(C)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000645407638 452378272 /nfs/dbraw/zinc/37/82/72/452378272.db2.gz LSOCIBDBUGCLKZ-AWEZNQCLSA-N 2 2 334.464 1.834 20 0 EDADLP CC[NH2+][C@H](C)C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000638080750 452398291 /nfs/dbraw/zinc/39/82/91/452398291.db2.gz DPJWNHUKDSQXOW-CYBMUJFWSA-N 2 2 337.468 1.795 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(C)(F)CC1 ZINC000640071272 452408919 /nfs/dbraw/zinc/40/89/19/452408919.db2.gz HMQKYGXKMZTOBO-HNNXBMFYSA-N 2 2 334.439 1.943 20 0 EDADLP C[C@H](CNC(=O)c1ccc(C[NH3+])o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000645494435 452464182 /nfs/dbraw/zinc/46/41/82/452464182.db2.gz JJENWLAGAJHNHV-OAHLLOKOSA-N 2 2 342.443 1.679 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000663734182 452467926 /nfs/dbraw/zinc/46/79/26/452467926.db2.gz JQXHULMCYWHVAL-UHFFFAOYSA-N 2 2 344.463 1.859 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663734182 452467935 /nfs/dbraw/zinc/46/79/35/452467935.db2.gz JQXHULMCYWHVAL-UHFFFAOYSA-N 2 2 344.463 1.859 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)CC1 ZINC000640152051 452469160 /nfs/dbraw/zinc/46/91/60/452469160.db2.gz BHXQAIWHYUJYOR-XJKSGUPXSA-N 2 2 325.403 1.979 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659619547 452476516 /nfs/dbraw/zinc/47/65/16/452476516.db2.gz YDMQWWVNOFUKEP-SYJJWHGVSA-N 2 2 329.448 1.222 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000659638639 452501256 /nfs/dbraw/zinc/50/12/56/452501256.db2.gz LAZHCTXBGDBRRM-ZDUSSCGKSA-N 2 2 338.427 1.269 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000659647017 452507649 /nfs/dbraw/zinc/50/76/49/452507649.db2.gz RUJOJDHZFZCZAT-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652341202 452513775 /nfs/dbraw/zinc/51/37/75/452513775.db2.gz PYTMZTYVNNOMIE-IGCXYCKISA-N 2 2 337.489 1.603 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661712245 452514083 /nfs/dbraw/zinc/51/40/83/452514083.db2.gz NVLZICZJHXOFNB-XKGZKEIXSA-N 2 2 343.471 1.349 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661712245 452514092 /nfs/dbraw/zinc/51/40/92/452514092.db2.gz NVLZICZJHXOFNB-XKGZKEIXSA-N 2 2 343.471 1.349 20 0 EDADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C(N)=O ZINC000665998678 452518498 /nfs/dbraw/zinc/51/84/98/452518498.db2.gz ZJOUETMGEDUGBD-UHFFFAOYSA-N 2 2 335.452 1.099 20 0 EDADLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C(N)=O ZINC000665998678 452518507 /nfs/dbraw/zinc/51/85/07/452518507.db2.gz ZJOUETMGEDUGBD-UHFFFAOYSA-N 2 2 335.452 1.099 20 0 EDADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000655719085 452534331 /nfs/dbraw/zinc/53/43/31/452534331.db2.gz PHNAMVBARXJFOE-UHFFFAOYSA-N 2 2 341.459 1.353 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NCCc2c(C)cc(C)cc2C)C[C@H]1C[NH3+] ZINC000652357243 452536721 /nfs/dbraw/zinc/53/67/21/452536721.db2.gz DPZZKFHUVVGJRK-IEBWSBKVSA-N 2 2 347.503 1.566 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCc2c(C)cc(C)cc2C)C[C@H]1C[NH3+] ZINC000652357243 452536728 /nfs/dbraw/zinc/53/67/28/452536728.db2.gz DPZZKFHUVVGJRK-IEBWSBKVSA-N 2 2 347.503 1.566 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N(C)[C@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000652357833 452537067 /nfs/dbraw/zinc/53/70/67/452537067.db2.gz GASBAARTUHASIA-NZSAHSFTSA-N 2 2 345.487 1.818 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)[C@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000652357833 452537073 /nfs/dbraw/zinc/53/70/73/452537073.db2.gz GASBAARTUHASIA-NZSAHSFTSA-N 2 2 345.487 1.818 20 0 EDADLP CCc1nn(C)cc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000657800043 452537409 /nfs/dbraw/zinc/53/74/09/452537409.db2.gz AWXQAIHMZOQTDH-LJQANCHMSA-N 2 2 341.503 1.888 20 0 EDADLP CCc1nn(C)cc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000657800043 452537418 /nfs/dbraw/zinc/53/74/18/452537418.db2.gz AWXQAIHMZOQTDH-LJQANCHMSA-N 2 2 341.503 1.888 20 0 EDADLP O=C(C1CCCC1)N1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655722659 452537593 /nfs/dbraw/zinc/53/75/93/452537593.db2.gz BISUDAGWKDPINK-ZWKOTPCHSA-N 2 2 335.492 1.620 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357879 452538256 /nfs/dbraw/zinc/53/82/56/452538256.db2.gz KIHBXSWGBMNRCS-CWLKWCNXSA-N 2 2 333.476 1.590 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357879 452538262 /nfs/dbraw/zinc/53/82/62/452538262.db2.gz KIHBXSWGBMNRCS-CWLKWCNXSA-N 2 2 333.476 1.590 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000657801928 452539927 /nfs/dbraw/zinc/53/99/27/452539927.db2.gz VQUUSDQXRCVZFL-LJQANCHMSA-N 2 2 327.476 1.634 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000657801928 452539935 /nfs/dbraw/zinc/53/99/35/452539935.db2.gz VQUUSDQXRCVZFL-LJQANCHMSA-N 2 2 327.476 1.634 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000655732878 452546120 /nfs/dbraw/zinc/54/61/20/452546120.db2.gz PNXQRGOIZGNBRD-CVEARBPZSA-N 2 2 331.464 1.786 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000655732878 452546127 /nfs/dbraw/zinc/54/61/27/452546127.db2.gz PNXQRGOIZGNBRD-CVEARBPZSA-N 2 2 331.464 1.786 20 0 EDADLP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(OC)n1 ZINC000655769959 452566345 /nfs/dbraw/zinc/56/63/45/452566345.db2.gz UHKVWHXYJPWDRW-MRXNPFEDSA-N 2 2 335.448 1.832 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663842852 452568491 /nfs/dbraw/zinc/56/84/91/452568491.db2.gz BESVPEKCPCVSMD-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)CC1 ZINC000663842852 452568494 /nfs/dbraw/zinc/56/84/94/452568494.db2.gz BESVPEKCPCVSMD-OAHLLOKOSA-N 2 2 333.480 1.748 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1C(C)(C)C ZINC000647835145 452570454 /nfs/dbraw/zinc/57/04/54/452570454.db2.gz OLSZDHDDRYYZKB-UHFFFAOYSA-N 2 2 332.492 1.760 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1C(C)(C)C ZINC000647835145 452570460 /nfs/dbraw/zinc/57/04/60/452570460.db2.gz OLSZDHDDRYYZKB-UHFFFAOYSA-N 2 2 332.492 1.760 20 0 EDADLP C[N@H+](CCC[NH3+])[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000647848040 452581816 /nfs/dbraw/zinc/58/18/16/452581816.db2.gz ADEGHVKLOQDCGJ-ZDUSSCGKSA-N 2 2 331.338 1.971 20 0 EDADLP C[N@@H+](CCC[NH3+])[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000647848040 452581823 /nfs/dbraw/zinc/58/18/23/452581823.db2.gz ADEGHVKLOQDCGJ-ZDUSSCGKSA-N 2 2 331.338 1.971 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000647849005 452582741 /nfs/dbraw/zinc/58/27/41/452582741.db2.gz DFANDTFHOBEGTB-UHFFFAOYSA-N 2 2 330.432 1.565 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000647849005 452582746 /nfs/dbraw/zinc/58/27/46/452582746.db2.gz DFANDTFHOBEGTB-UHFFFAOYSA-N 2 2 330.432 1.565 20 0 EDADLP C[N@H+](CCC[NH3+])CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000647848541 452582948 /nfs/dbraw/zinc/58/29/48/452582948.db2.gz TUYOHYXYIUXTNV-UHFFFAOYSA-N 2 2 333.354 1.481 20 0 EDADLP C[N@@H+](CCC[NH3+])CC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000647848541 452582954 /nfs/dbraw/zinc/58/29/54/452582954.db2.gz TUYOHYXYIUXTNV-UHFFFAOYSA-N 2 2 333.354 1.481 20 0 EDADLP Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647886638 452624960 /nfs/dbraw/zinc/62/49/60/452624960.db2.gz DPUWSLHEMFSLTK-DLBZAZTESA-N 2 2 331.460 1.516 20 0 EDADLP Cc1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)o1 ZINC000645628949 452629359 /nfs/dbraw/zinc/62/93/59/452629359.db2.gz BGMOHIYISZAHID-UHFFFAOYSA-N 2 2 334.464 1.972 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+](CCO)C[C@@H]3C)CC2)[nH+]c1 ZINC000654552588 452636152 /nfs/dbraw/zinc/63/61/52/452636152.db2.gz QUFDLNQOGYCVHQ-INIZCTEOSA-N 2 2 346.475 1.131 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[N@H+](CCO)C[C@@H]3C)CC2)[nH+]c1 ZINC000654552588 452636166 /nfs/dbraw/zinc/63/61/66/452636166.db2.gz QUFDLNQOGYCVHQ-INIZCTEOSA-N 2 2 346.475 1.131 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000647899726 452641416 /nfs/dbraw/zinc/64/14/16/452641416.db2.gz UFCUYCXMWTVJHC-HOCLYGCPSA-N 2 2 345.443 1.860 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000647899726 452641423 /nfs/dbraw/zinc/64/14/23/452641423.db2.gz UFCUYCXMWTVJHC-HOCLYGCPSA-N 2 2 345.443 1.860 20 0 EDADLP CCn1ccc(CC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000652461682 452656420 /nfs/dbraw/zinc/65/64/20/452656420.db2.gz JDZDVWQUQIAOFJ-UHFFFAOYSA-N 2 2 347.507 1.464 20 0 EDADLP CCn1ccc(CC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000652461682 452656425 /nfs/dbraw/zinc/65/64/25/452656425.db2.gz JDZDVWQUQIAOFJ-UHFFFAOYSA-N 2 2 347.507 1.464 20 0 EDADLP [NH3+]C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C(F)(F)F ZINC000655911565 452668689 /nfs/dbraw/zinc/66/86/89/452668689.db2.gz FVQGBAUQMKTMCO-SECBINFHSA-N 2 2 335.717 1.677 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000647938350 452679712 /nfs/dbraw/zinc/67/97/12/452679712.db2.gz KKHSOGMXVHHIGE-CZUORRHYSA-N 2 2 332.448 1.434 20 0 EDADLP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000647938350 452679720 /nfs/dbraw/zinc/67/97/20/452679720.db2.gz KKHSOGMXVHHIGE-CZUORRHYSA-N 2 2 332.448 1.434 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)CN1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000647939197 452683007 /nfs/dbraw/zinc/68/30/07/452683007.db2.gz FMKCRKSTMITWDS-KRWDZBQOSA-N 2 2 327.432 1.118 20 0 EDADLP Cc1cn2nc(N[C@@H]3CC[N@H+](CCn4cc[nH+]c4C)C3)ccc2n1 ZINC000647947004 452692465 /nfs/dbraw/zinc/69/24/65/452692465.db2.gz FAXVDUYOZKTRRP-OAHLLOKOSA-N 2 2 325.420 1.729 20 0 EDADLP Cc1cn2nc(N[C@@H]3CC[N@@H+](CCn4cc[nH+]c4C)C3)ccc2n1 ZINC000647947004 452692470 /nfs/dbraw/zinc/69/24/70/452692470.db2.gz FAXVDUYOZKTRRP-OAHLLOKOSA-N 2 2 325.420 1.729 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000658057273 452710173 /nfs/dbraw/zinc/71/01/73/452710173.db2.gz OHYLJBQVICPKQV-JSGCOSHPSA-N 2 2 325.478 1.857 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc(S(N)(=O)=O)c1 ZINC000658057273 452710180 /nfs/dbraw/zinc/71/01/80/452710180.db2.gz OHYLJBQVICPKQV-JSGCOSHPSA-N 2 2 325.478 1.857 20 0 EDADLP CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000664009453 452711381 /nfs/dbraw/zinc/71/13/81/452711381.db2.gz XDOLRNFFIGKNCJ-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000664009453 452711389 /nfs/dbraw/zinc/71/13/89/452711389.db2.gz XDOLRNFFIGKNCJ-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP FC(F)(F)c1ncc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000658083200 452717714 /nfs/dbraw/zinc/71/77/14/452717714.db2.gz RDVOWAMIIWUTFC-ZDUSSCGKSA-N 2 2 330.354 1.838 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831066 452719687 /nfs/dbraw/zinc/71/96/87/452719687.db2.gz NIWOSMHPXGQHKU-DZGCQCFKSA-N 2 2 343.493 1.028 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000659831066 452719689 /nfs/dbraw/zinc/71/96/89/452719689.db2.gz NIWOSMHPXGQHKU-DZGCQCFKSA-N 2 2 343.493 1.028 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000661972933 452726675 /nfs/dbraw/zinc/72/66/75/452726675.db2.gz MDCZCJDBVBQODF-IRXDYDNUSA-N 2 2 335.492 1.480 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000661972933 452726678 /nfs/dbraw/zinc/72/66/78/452726678.db2.gz MDCZCJDBVBQODF-IRXDYDNUSA-N 2 2 335.492 1.480 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)ccc2[nH+]1 ZINC000658124622 452736012 /nfs/dbraw/zinc/73/60/12/452736012.db2.gz HPWQLUWBVRSGPK-CQSZACIVSA-N 2 2 343.431 1.570 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)ccc2[nH+]1 ZINC000658124622 452736020 /nfs/dbraw/zinc/73/60/20/452736020.db2.gz HPWQLUWBVRSGPK-CQSZACIVSA-N 2 2 343.431 1.570 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649504 452743216 /nfs/dbraw/zinc/74/32/16/452743216.db2.gz GWOBTZCEOXPWCY-OAGGEKHMSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649504 452743219 /nfs/dbraw/zinc/74/32/19/452743219.db2.gz GWOBTZCEOXPWCY-OAGGEKHMSA-N 2 2 338.496 1.364 20 0 EDADLP Cc1cc(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C)c[nH+]1 ZINC000652589132 452758447 /nfs/dbraw/zinc/75/84/47/452758447.db2.gz PYQNMYNYBCHLNJ-YQQAZPJKSA-N 2 2 332.448 1.871 20 0 EDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C4CC4)no3)cn2)CC1 ZINC000659901793 452789609 /nfs/dbraw/zinc/78/96/09/452789609.db2.gz APYIQWRBILOPMA-UHFFFAOYSA-N 2 2 327.432 1.989 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658213419 452791299 /nfs/dbraw/zinc/79/12/99/452791299.db2.gz OSFGIVQFAHSURQ-UHFFFAOYSA-N 2 2 347.507 1.184 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658213419 452791307 /nfs/dbraw/zinc/79/13/07/452791307.db2.gz OSFGIVQFAHSURQ-UHFFFAOYSA-N 2 2 347.507 1.184 20 0 EDADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000648065243 452795460 /nfs/dbraw/zinc/79/54/60/452795460.db2.gz YRNPSMMASCBQMM-GFCCVEGCSA-N 2 2 335.839 1.540 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928199 452821004 /nfs/dbraw/zinc/82/10/04/452821004.db2.gz JPAXXYGUFGSDJV-CVEARBPZSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928199 452821007 /nfs/dbraw/zinc/82/10/07/452821007.db2.gz JPAXXYGUFGSDJV-CVEARBPZSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928199 452821015 /nfs/dbraw/zinc/82/10/15/452821015.db2.gz JPAXXYGUFGSDJV-CVEARBPZSA-N 2 2 336.480 1.467 20 0 EDADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659928199 452821021 /nfs/dbraw/zinc/82/10/21/452821021.db2.gz JPAXXYGUFGSDJV-CVEARBPZSA-N 2 2 336.480 1.467 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCc2ccccc2C1 ZINC000664154358 452826250 /nfs/dbraw/zinc/82/62/50/452826250.db2.gz KMRJGKRKUOKKPC-KRWDZBQOSA-N 2 2 346.519 1.974 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCc2ccccc2C1 ZINC000664154358 452826255 /nfs/dbraw/zinc/82/62/55/452826255.db2.gz KMRJGKRKUOKKPC-KRWDZBQOSA-N 2 2 346.519 1.974 20 0 EDADLP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000662094690 452835198 /nfs/dbraw/zinc/83/51/98/452835198.db2.gz CYHYDMRXWNRLRF-CYBMUJFWSA-N 2 2 344.419 1.417 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC1(C[NH3+])CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000648118667 452836072 /nfs/dbraw/zinc/83/60/72/452836072.db2.gz KPSSCLDCVZCGBA-AWEZNQCLSA-N 3 2 331.464 1.020 20 0 EDADLP Cc1noc(C)c1C[C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664188621 452859089 /nfs/dbraw/zinc/85/90/89/452859089.db2.gz WNAJUEVRBBDDHA-ZDUSSCGKSA-N 2 2 339.484 1.405 20 0 EDADLP Cc1noc(C)c1C[C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664188621 452859098 /nfs/dbraw/zinc/85/90/98/452859098.db2.gz WNAJUEVRBBDDHA-ZDUSSCGKSA-N 2 2 339.484 1.405 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648152038 452863082 /nfs/dbraw/zinc/86/30/82/452863082.db2.gz LDLADGHMKVIUNQ-UHFFFAOYSA-N 2 2 331.460 1.098 20 0 EDADLP COc1c(C)[nH+]cnc1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000656117749 452874047 /nfs/dbraw/zinc/87/40/47/452874047.db2.gz APNMDFPKIQRKJE-UHFFFAOYSA-N 2 2 343.431 1.697 20 0 EDADLP CN(C(=O)c1ccn(C(C)(C)C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773915 452905370 /nfs/dbraw/zinc/90/53/70/452905370.db2.gz NPKNVTVTQZBZNE-MRXNPFEDSA-N 2 2 347.507 1.879 20 0 EDADLP CN(C(=O)c1ccn(C(C)(C)C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773915 452905375 /nfs/dbraw/zinc/90/53/75/452905375.db2.gz NPKNVTVTQZBZNE-MRXNPFEDSA-N 2 2 347.507 1.879 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000664247487 452926927 /nfs/dbraw/zinc/92/69/27/452926927.db2.gz OMDWLVIZVWTECS-UHFFFAOYSA-N 2 2 345.373 1.619 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000664247487 452926940 /nfs/dbraw/zinc/92/69/40/452926940.db2.gz OMDWLVIZVWTECS-UHFFFAOYSA-N 2 2 345.373 1.619 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000664247487 452926948 /nfs/dbraw/zinc/92/69/48/452926948.db2.gz OMDWLVIZVWTECS-UHFFFAOYSA-N 2 2 345.373 1.619 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000664247487 452926955 /nfs/dbraw/zinc/92/69/55/452926955.db2.gz OMDWLVIZVWTECS-UHFFFAOYSA-N 2 2 345.373 1.619 20 0 EDADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255064 452984068 /nfs/dbraw/zinc/98/40/68/452984068.db2.gz WBSQHBBDPCHEGD-WMZOPIPTSA-N 2 2 346.475 1.817 20 0 EDADLP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000662255064 452984073 /nfs/dbraw/zinc/98/40/73/452984073.db2.gz WBSQHBBDPCHEGD-WMZOPIPTSA-N 2 2 346.475 1.817 20 0 EDADLP C[C@@H]1CCC[C@H](CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000666595847 452998062 /nfs/dbraw/zinc/99/80/62/452998062.db2.gz HXSXOCHBSWUIET-NVXWUHKLSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H]1CCC[C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000666595847 452998069 /nfs/dbraw/zinc/99/80/69/452998069.db2.gz HXSXOCHBSWUIET-NVXWUHKLSA-N 2 2 340.512 1.611 20 0 EDADLP COc1cccc2c1CC[C@@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664428083 453086185 /nfs/dbraw/zinc/08/61/85/453086185.db2.gz HURAJRCKUZWJQJ-KRWDZBQOSA-N 2 2 348.491 1.865 20 0 EDADLP COc1cccc2c1CC[C@@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664428083 453086190 /nfs/dbraw/zinc/08/61/90/453086190.db2.gz HURAJRCKUZWJQJ-KRWDZBQOSA-N 2 2 348.491 1.865 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646102473 453104302 /nfs/dbraw/zinc/10/43/02/453104302.db2.gz KJVINQABMSVWEW-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646102473 453104313 /nfs/dbraw/zinc/10/43/13/453104313.db2.gz KJVINQABMSVWEW-UHFFFAOYSA-N 2 2 347.459 1.108 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCN(c3ccccc3)C1=O)CCO2 ZINC000646104853 453109304 /nfs/dbraw/zinc/10/93/04/453109304.db2.gz ZVMKRXDXSGYTJG-QGZVFWFLSA-N 2 2 329.444 1.589 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCN(c3ccccc3)C1=O)CCO2 ZINC000646104853 453109315 /nfs/dbraw/zinc/10/93/15/453109315.db2.gz ZVMKRXDXSGYTJG-QGZVFWFLSA-N 2 2 329.444 1.589 20 0 EDADLP CCc1ccc(NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104838 453109829 /nfs/dbraw/zinc/10/98/29/453109829.db2.gz PTRJMAJLMCELGN-UHFFFAOYSA-N 2 2 331.460 1.984 20 0 EDADLP CCc1ccc(NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104838 453109835 /nfs/dbraw/zinc/10/98/35/453109835.db2.gz PTRJMAJLMCELGN-UHFFFAOYSA-N 2 2 331.460 1.984 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCN(c3ccccc3)C1=O)CCO2 ZINC000646104850 453109854 /nfs/dbraw/zinc/10/98/54/453109854.db2.gz ZVMKRXDXSGYTJG-KRWDZBQOSA-N 2 2 329.444 1.589 20 0 EDADLP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCN(c3ccccc3)C1=O)CCO2 ZINC000646104850 453109862 /nfs/dbraw/zinc/10/98/62/453109862.db2.gz ZVMKRXDXSGYTJG-KRWDZBQOSA-N 2 2 329.444 1.589 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662445080 453152520 /nfs/dbraw/zinc/15/25/20/453152520.db2.gz MMGTYQRKYOXKJS-YOEHRIQHSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662445080 453152527 /nfs/dbraw/zinc/15/25/27/453152527.db2.gz MMGTYQRKYOXKJS-YOEHRIQHSA-N 2 2 331.460 1.516 20 0 EDADLP C[C@H]([C@H](C)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[NH+]1CCOCC1 ZINC000662446476 453153747 /nfs/dbraw/zinc/15/37/47/453153747.db2.gz DLTQLCAFMKSUOA-HDMKZQKVSA-N 2 2 345.487 1.904 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662473289 453184982 /nfs/dbraw/zinc/18/49/82/453184982.db2.gz GUBJIGDLVBEBHN-UHFFFAOYSA-N 2 2 331.420 1.924 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000662503017 453219197 /nfs/dbraw/zinc/21/91/97/453219197.db2.gz DYZIEOSQFZQESN-MSOLQXFVSA-N 2 2 347.459 1.346 20 0 EDADLP CCN1CC[C@H]([N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000660334919 453223265 /nfs/dbraw/zinc/22/32/65/453223265.db2.gz VHCPHFFPLXWUKI-HKUYNNGSSA-N 2 2 331.460 1.176 20 0 EDADLP CCN1CC[C@H]([N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000660334919 453223272 /nfs/dbraw/zinc/22/32/72/453223272.db2.gz VHCPHFFPLXWUKI-HKUYNNGSSA-N 2 2 331.460 1.176 20 0 EDADLP CCN1CC[C@H]([NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000660334919 453223279 /nfs/dbraw/zinc/22/32/79/453223279.db2.gz VHCPHFFPLXWUKI-HKUYNNGSSA-N 2 2 331.460 1.176 20 0 EDADLP CCN1CC[C@H]([NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000660334919 453223285 /nfs/dbraw/zinc/22/32/85/453223285.db2.gz VHCPHFFPLXWUKI-HKUYNNGSSA-N 2 2 331.460 1.176 20 0 EDADLP C[NH2+][C@@H](C(=O)N1CC[NH+](CCO)CC1)c1cccc(Cl)c1Cl ZINC000662516242 453235113 /nfs/dbraw/zinc/23/51/13/453235113.db2.gz CIRJEBPILUFSSW-CQSZACIVSA-N 2 2 346.258 1.390 20 0 EDADLP C[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1[nH+]ccn1C ZINC000660353332 453241144 /nfs/dbraw/zinc/24/11/44/453241144.db2.gz IESBXGKTLGJVCF-AWEZNQCLSA-N 2 2 342.447 1.840 20 0 EDADLP C[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075083 453253297 /nfs/dbraw/zinc/25/32/97/453253297.db2.gz DNPHCVZUWCOWBY-SMDDNHRTSA-N 2 2 342.281 1.775 20 0 EDADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000653073741 453253465 /nfs/dbraw/zinc/25/34/65/453253465.db2.gz LHFONCHTIXYLHQ-MLGOLLRUSA-N 2 2 347.463 1.427 20 0 EDADLP COc1ccc(C2(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCOCC2)cc1 ZINC000653077841 453256056 /nfs/dbraw/zinc/25/60/56/453256056.db2.gz MWHNFWSWPRPULM-KRWDZBQOSA-N 2 2 349.475 1.139 20 0 EDADLP C[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1[nH+]ccn1C ZINC000660386026 453261732 /nfs/dbraw/zinc/26/17/32/453261732.db2.gz SAFSUJSYHCNLNE-AWEZNQCLSA-N 2 2 345.447 1.921 20 0 EDADLP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1Br ZINC000653083920 453264773 /nfs/dbraw/zinc/26/47/73/453264773.db2.gz OSFAWCTYHLPGSE-LBPRGKRZSA-N 2 2 344.253 1.353 20 0 EDADLP C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)C1=CC[N@H+](C)CC1 ZINC000664631711 453267354 /nfs/dbraw/zinc/26/73/54/453267354.db2.gz ZUSZSJFQZYKQSG-HIFRSBDPSA-N 2 2 349.479 1.429 20 0 EDADLP C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)C1=CC[N@@H+](C)CC1 ZINC000664631711 453267364 /nfs/dbraw/zinc/26/73/64/453267364.db2.gz ZUSZSJFQZYKQSG-HIFRSBDPSA-N 2 2 349.479 1.429 20 0 EDADLP CC(=O)N(Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1)C(C)C ZINC000653092527 453274897 /nfs/dbraw/zinc/27/48/97/453274897.db2.gz CQMMXHBKOACWLC-KRWDZBQOSA-N 2 2 334.464 1.661 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000653108017 453291524 /nfs/dbraw/zinc/29/15/24/453291524.db2.gz GGQDREMYDCDMLQ-MRXNPFEDSA-N 2 2 341.415 1.551 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(OCc2ccccn2)cc1 ZINC000653108609 453291578 /nfs/dbraw/zinc/29/15/78/453291578.db2.gz BKXOHCJZZWQLKE-SFHVURJKSA-N 2 2 342.443 1.556 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000660422404 453294312 /nfs/dbraw/zinc/29/43/12/453294312.db2.gz DVFMLKOVOMMHSS-RDJZCZTQSA-N 2 2 327.432 1.845 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000660422404 453294321 /nfs/dbraw/zinc/29/43/21/453294321.db2.gz DVFMLKOVOMMHSS-RDJZCZTQSA-N 2 2 327.432 1.845 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653111285 453298192 /nfs/dbraw/zinc/29/81/92/453298192.db2.gz KNQNIVMDBPLCFT-SJORKVTESA-N 2 2 332.448 1.466 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000653117766 453307099 /nfs/dbraw/zinc/30/70/99/453307099.db2.gz VMJXYSITMIRAHN-SFHVURJKSA-N 3 2 332.492 1.388 20 0 EDADLP Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119175 453309330 /nfs/dbraw/zinc/30/93/30/453309330.db2.gz AJOBPYJGBDSSGA-CVEARBPZSA-N 2 2 336.455 1.498 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(C)[nH+]1 ZINC000664678173 453311383 /nfs/dbraw/zinc/31/13/83/453311383.db2.gz RQESOFGXFJQFIT-MRXNPFEDSA-N 2 2 344.459 1.875 20 0 EDADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)[nH+]1 ZINC000664678173 453311390 /nfs/dbraw/zinc/31/13/90/453311390.db2.gz RQESOFGXFJQFIT-MRXNPFEDSA-N 2 2 344.459 1.875 20 0 EDADLP Cc1cc(Br)cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1N ZINC000653129846 453323351 /nfs/dbraw/zinc/32/33/51/453323351.db2.gz MDWBQJNMZZQLLO-SNVBAGLBSA-N 2 2 329.242 1.557 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472255 453330988 /nfs/dbraw/zinc/33/09/88/453330988.db2.gz IJNGHQDMPOPENM-QGZVFWFLSA-N 2 2 341.496 1.106 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472255 453330992 /nfs/dbraw/zinc/33/09/92/453330992.db2.gz IJNGHQDMPOPENM-QGZVFWFLSA-N 2 2 341.496 1.106 20 0 EDADLP Cc1nc(N2CCN(C(=O)c3ccccc3CC[NH3+])CC2)cc[nH+]1 ZINC000653152391 453340256 /nfs/dbraw/zinc/34/02/56/453340256.db2.gz LWRTVVZOBAEHRD-UHFFFAOYSA-N 2 2 325.416 1.249 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000660495568 453350125 /nfs/dbraw/zinc/35/01/25/453350125.db2.gz HXCXVFKHOOKJFO-QWFCFKBJSA-N 2 2 331.504 1.954 20 0 EDADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000660495568 453350131 /nfs/dbraw/zinc/35/01/31/453350131.db2.gz HXCXVFKHOOKJFO-QWFCFKBJSA-N 2 2 331.504 1.954 20 0 EDADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653168461 453360265 /nfs/dbraw/zinc/36/02/65/453360265.db2.gz BLDNMXXFCNJUOO-GOSISDBHSA-N 3 2 347.507 1.426 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(OC(F)F)nc1 ZINC000667048227 453364725 /nfs/dbraw/zinc/36/47/25/453364725.db2.gz VMAASAGUCHJXTM-UHFFFAOYSA-N 2 2 345.394 1.688 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(OC(F)F)nc1 ZINC000667048227 453364734 /nfs/dbraw/zinc/36/47/34/453364734.db2.gz VMAASAGUCHJXTM-UHFFFAOYSA-N 2 2 345.394 1.688 20 0 EDADLP CCC[N@H+](C)CC(C)(C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000664758746 453382878 /nfs/dbraw/zinc/38/28/78/453382878.db2.gz GAAAGWLISACUGR-UHFFFAOYSA-N 2 2 326.485 1.271 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660623750 453465349 /nfs/dbraw/zinc/46/53/49/453465349.db2.gz TWXGGJMMACNUNQ-QGZVFWFLSA-N 2 2 340.512 1.615 20 0 EDADLP CO[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000651332571 453476508 /nfs/dbraw/zinc/47/65/08/453476508.db2.gz AHHOECLAQWKTPH-CYBMUJFWSA-N 2 2 339.402 1.438 20 0 EDADLP CO[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(F)(F)F ZINC000651332571 453476515 /nfs/dbraw/zinc/47/65/15/453476515.db2.gz AHHOECLAQWKTPH-CYBMUJFWSA-N 2 2 339.402 1.438 20 0 EDADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000664919017 453482223 /nfs/dbraw/zinc/48/22/23/453482223.db2.gz DJERVBZNCSMWKA-PMPSAXMXSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000664919017 453482230 /nfs/dbraw/zinc/48/22/30/453482230.db2.gz DJERVBZNCSMWKA-PMPSAXMXSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664919017 453482234 /nfs/dbraw/zinc/48/22/34/453482234.db2.gz DJERVBZNCSMWKA-PMPSAXMXSA-N 2 2 328.501 1.515 20 0 EDADLP CCCC[NH+](C)C[C@@H](C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664919017 453482239 /nfs/dbraw/zinc/48/22/39/453482239.db2.gz DJERVBZNCSMWKA-PMPSAXMXSA-N 2 2 328.501 1.515 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655361 453493061 /nfs/dbraw/zinc/49/30/61/453493061.db2.gz GSTACYXSLBNQPP-LIRRHRJNSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655361 453493070 /nfs/dbraw/zinc/49/30/70/453493070.db2.gz GSTACYXSLBNQPP-LIRRHRJNSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655361 453493077 /nfs/dbraw/zinc/49/30/77/453493077.db2.gz GSTACYXSLBNQPP-LIRRHRJNSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655361 453493089 /nfs/dbraw/zinc/49/30/89/453493089.db2.gz GSTACYXSLBNQPP-LIRRHRJNSA-N 2 2 344.459 1.530 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(-n2cnnn2)c1 ZINC000651381421 453520724 /nfs/dbraw/zinc/52/07/24/453520724.db2.gz IJFQOUDAHCZZNK-WMLDXEAASA-N 2 2 330.436 1.160 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(-n2cnnn2)c1 ZINC000651381421 453520727 /nfs/dbraw/zinc/52/07/27/453520727.db2.gz IJFQOUDAHCZZNK-WMLDXEAASA-N 2 2 330.436 1.160 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c2[nH+]ccn21 ZINC000665048058 453553126 /nfs/dbraw/zinc/55/31/26/453553126.db2.gz RATKAYQQMLBSKY-OWCLPIDISA-N 2 2 347.463 1.785 20 0 EDADLP O=C(NCCNc1cccc[nH+]1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659034040 453590224 /nfs/dbraw/zinc/59/02/24/453590224.db2.gz ZFVNCWJRUWCSKP-INIZCTEOSA-N 2 2 341.415 1.976 20 0 EDADLP CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900952 453595194 /nfs/dbraw/zinc/59/51/94/453595194.db2.gz QQUGVNRMIAGQHL-OALUTQOASA-N 3 2 344.503 1.356 20 0 EDADLP CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900952 453595197 /nfs/dbraw/zinc/59/51/97/453595197.db2.gz QQUGVNRMIAGQHL-OALUTQOASA-N 3 2 344.503 1.356 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C[C@@H](O)C[NH+](C)C(C)C)CC2)CC1 ZINC000660834042 453596043 /nfs/dbraw/zinc/59/60/43/453596043.db2.gz KMYACFQWRQDTGO-IBGZPJMESA-N 3 2 340.556 1.180 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C[C@@H](O)C[NH+](C)C(C)C)CC2)CC1 ZINC000660834042 453596047 /nfs/dbraw/zinc/59/60/47/453596047.db2.gz KMYACFQWRQDTGO-IBGZPJMESA-N 3 2 340.556 1.180 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000660834042 453596052 /nfs/dbraw/zinc/59/60/52/453596052.db2.gz KMYACFQWRQDTGO-IBGZPJMESA-N 3 2 340.556 1.180 20 0 EDADLP CC[NH+]1CCC([NH+]2CCCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000660834042 453596058 /nfs/dbraw/zinc/59/60/58/453596058.db2.gz KMYACFQWRQDTGO-IBGZPJMESA-N 3 2 340.556 1.180 20 0 EDADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662912291 453599008 /nfs/dbraw/zinc/59/90/08/453599008.db2.gz XVBZWJVZFTUKRZ-QZTJIDSGSA-N 2 2 337.508 1.855 20 0 EDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000662939843 453616203 /nfs/dbraw/zinc/61/62/03/453616203.db2.gz JLHXPHGTKACPIX-INIZCTEOSA-N 2 2 339.443 1.040 20 0 EDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2c[nH+]ccc2N)C1 ZINC000662939843 453616207 /nfs/dbraw/zinc/61/62/07/453616207.db2.gz JLHXPHGTKACPIX-INIZCTEOSA-N 2 2 339.443 1.040 20 0 EDADLP COc1ccc(N2C[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2=O)cc1 ZINC000665240470 453620285 /nfs/dbraw/zinc/62/02/85/453620285.db2.gz LLIAMVCPLOEYLW-DKSSEZFCSA-N 2 2 345.443 1.157 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000660934254 453652616 /nfs/dbraw/zinc/65/26/16/453652616.db2.gz OEWBKWGZKQLDQA-JQHSSLGASA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000660934254 453652620 /nfs/dbraw/zinc/65/26/20/453652620.db2.gz OEWBKWGZKQLDQA-JQHSSLGASA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000660934254 453652623 /nfs/dbraw/zinc/65/26/23/453652623.db2.gz OEWBKWGZKQLDQA-JQHSSLGASA-N 2 2 346.475 1.279 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000660934254 453652628 /nfs/dbraw/zinc/65/26/28/453652628.db2.gz OEWBKWGZKQLDQA-JQHSSLGASA-N 2 2 346.475 1.279 20 0 EDADLP Cc1ccc(F)cc1S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657093340 453676960 /nfs/dbraw/zinc/67/69/60/453676960.db2.gz YIAGFWURTFKWIB-UHFFFAOYSA-N 2 2 331.457 1.296 20 0 EDADLP Cc1ccc(F)cc1S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657093340 453676963 /nfs/dbraw/zinc/67/69/63/453676963.db2.gz YIAGFWURTFKWIB-UHFFFAOYSA-N 2 2 331.457 1.296 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000665462243 453701228 /nfs/dbraw/zinc/70/12/28/453701228.db2.gz IGZHOLKZIGJLOH-IEBWSBKVSA-N 2 2 343.471 1.966 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000665462243 453701232 /nfs/dbraw/zinc/70/12/32/453701232.db2.gz IGZHOLKZIGJLOH-IEBWSBKVSA-N 2 2 343.471 1.966 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000665462382 453701876 /nfs/dbraw/zinc/70/18/76/453701876.db2.gz KPCOSQMKMUGUDU-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000665462382 453701877 /nfs/dbraw/zinc/70/18/77/453701877.db2.gz KPCOSQMKMUGUDU-WMZOPIPTSA-N 2 2 331.460 1.822 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000665535344 453735439 /nfs/dbraw/zinc/73/54/39/453735439.db2.gz QRSGZCDUOCKYQE-HOTGVXAUSA-N 2 2 326.444 1.804 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000665535344 453735443 /nfs/dbraw/zinc/73/54/43/453735443.db2.gz QRSGZCDUOCKYQE-HOTGVXAUSA-N 2 2 326.444 1.804 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657333116 453767335 /nfs/dbraw/zinc/76/73/35/453767335.db2.gz VSANYAGTNNKGNO-UHFFFAOYSA-N 2 2 341.463 1.440 20 0 EDADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657398476 453781134 /nfs/dbraw/zinc/78/11/34/453781134.db2.gz BIQFIKVQXFRXMO-ROUUACIJSA-N 2 2 333.480 1.861 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC3CC[NH+](C4CC4)CC3)nc[nH+]2)C1 ZINC000665690157 453789448 /nfs/dbraw/zinc/78/94/48/453789448.db2.gz IKAGGJVRGXIBAD-ZIAGYGMSSA-N 2 2 331.464 1.722 20 0 EDADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC3CC[NH+](C4CC4)CC3)[nH+]cn2)C1 ZINC000665690157 453789450 /nfs/dbraw/zinc/78/94/50/453789450.db2.gz IKAGGJVRGXIBAD-ZIAGYGMSSA-N 2 2 331.464 1.722 20 0 EDADLP CC1(O)CCN(c2cc(N3CC[NH+](CC4CC4)CC3)nc[nH+]2)CC1 ZINC000663400533 453789484 /nfs/dbraw/zinc/78/94/84/453789484.db2.gz SCXINNUWDAJYEM-UHFFFAOYSA-N 2 2 331.464 1.360 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C)CO1 ZINC000663425298 453795017 /nfs/dbraw/zinc/79/50/17/453795017.db2.gz OTJARCDLDQSBGD-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C)CO1 ZINC000663425298 453795018 /nfs/dbraw/zinc/79/50/18/453795018.db2.gz OTJARCDLDQSBGD-HOTGVXAUSA-N 2 2 340.512 1.659 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663446586 453800564 /nfs/dbraw/zinc/80/05/64/453800564.db2.gz PQPPSINANZKTDY-LSDHHAIUSA-N 2 2 326.485 1.268 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000663446586 453800567 /nfs/dbraw/zinc/80/05/67/453800567.db2.gz PQPPSINANZKTDY-LSDHHAIUSA-N 2 2 326.485 1.268 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000661397931 453809278 /nfs/dbraw/zinc/80/92/78/453809278.db2.gz RULFVXZIGMRJMS-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000661397931 453809280 /nfs/dbraw/zinc/80/92/80/453809280.db2.gz RULFVXZIGMRJMS-QGZVFWFLSA-N 2 2 345.491 1.782 20 0 EDADLP Cc1ccncc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000679939106 486677448 /nfs/dbraw/zinc/67/74/48/486677448.db2.gz CKJGXXSABIZCCQ-MRXNPFEDSA-N 2 2 342.443 1.978 20 0 EDADLP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000680074558 486701722 /nfs/dbraw/zinc/70/17/22/486701722.db2.gz UWDGGWUHUGNEAN-OAHLLOKOSA-N 2 2 348.443 1.715 20 0 EDADLP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000680074558 486701725 /nfs/dbraw/zinc/70/17/25/486701725.db2.gz UWDGGWUHUGNEAN-OAHLLOKOSA-N 2 2 348.443 1.715 20 0 EDADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667540550 486833898 /nfs/dbraw/zinc/83/38/98/486833898.db2.gz NVTQMVGJPDFHTD-XJKSGUPXSA-N 2 2 339.399 1.021 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1c[nH]c[nH+]1 ZINC000683920228 486868370 /nfs/dbraw/zinc/86/83/70/486868370.db2.gz WNLJNLRWWYKATP-GJZGRUSLSA-N 2 2 334.464 1.571 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667596064 486865213 /nfs/dbraw/zinc/86/52/13/486865213.db2.gz XZZSENYZEJLGDE-HNNXBMFYSA-N 2 2 345.491 1.394 20 0 EDADLP CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000683946550 486877346 /nfs/dbraw/zinc/87/73/46/486877346.db2.gz LLRQWZNMLPOLCJ-AWEZNQCLSA-N 2 2 325.478 1.463 20 0 EDADLP CC[N@H+]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000683946550 486877350 /nfs/dbraw/zinc/87/73/50/486877350.db2.gz LLRQWZNMLPOLCJ-AWEZNQCLSA-N 2 2 325.478 1.463 20 0 EDADLP COCCc1ccc(OC[C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000667813368 486977939 /nfs/dbraw/zinc/97/79/39/486977939.db2.gz MNTBIVPJGUUECS-MRXNPFEDSA-N 2 2 349.475 1.006 20 0 EDADLP O=C(CC[NH2+][C@@H]1CO[C@H](C2CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000667821175 486982271 /nfs/dbraw/zinc/98/22/71/486982271.db2.gz WTAMCRUTYVLOQF-IRXDYDNUSA-N 2 2 344.459 1.277 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000677172981 486993804 /nfs/dbraw/zinc/99/38/04/486993804.db2.gz NNGRCHCJINWTMK-NXOAAHMSSA-N 2 2 325.497 1.673 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000677172981 486993809 /nfs/dbraw/zinc/99/38/09/486993809.db2.gz NNGRCHCJINWTMK-NXOAAHMSSA-N 2 2 325.497 1.673 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000677172981 486993812 /nfs/dbraw/zinc/99/38/12/486993812.db2.gz NNGRCHCJINWTMK-NXOAAHMSSA-N 2 2 325.497 1.673 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000677172981 486993818 /nfs/dbraw/zinc/99/38/18/486993818.db2.gz NNGRCHCJINWTMK-NXOAAHMSSA-N 2 2 325.497 1.673 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CO)CC3CCC3)C2)CC1 ZINC000684375363 487041240 /nfs/dbraw/zinc/04/12/40/487041240.db2.gz IURDEYAPDVCODB-CVEARBPZSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CO)CC3CCC3)C2)CC1 ZINC000684375363 487041246 /nfs/dbraw/zinc/04/12/46/487041246.db2.gz IURDEYAPDVCODB-CVEARBPZSA-N 2 2 338.496 1.005 20 0 EDADLP CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000673651859 487078581 /nfs/dbraw/zinc/07/85/81/487078581.db2.gz XRMNVJPKLWOZFT-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000673651859 487078585 /nfs/dbraw/zinc/07/85/85/487078585.db2.gz XRMNVJPKLWOZFT-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684567306 487100212 /nfs/dbraw/zinc/10/02/12/487100212.db2.gz GWXNZCJLIWZOJK-CYBMUJFWSA-N 2 2 340.427 1.730 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c(C(F)(F)F)cnn1C ZINC000668158146 487123635 /nfs/dbraw/zinc/12/36/35/487123635.db2.gz JVIOHHUAANYPPK-UHFFFAOYSA-N 2 2 347.429 1.897 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c(C(F)(F)F)cnn1C ZINC000668158146 487123637 /nfs/dbraw/zinc/12/36/37/487123637.db2.gz JVIOHHUAANYPPK-UHFFFAOYSA-N 2 2 347.429 1.897 20 0 EDADLP COc1ccc(C)cc1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674029721 487187143 /nfs/dbraw/zinc/18/71/43/487187143.db2.gz RMZFBNHFZSLWBL-UHFFFAOYSA-N 2 2 348.491 1.829 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000674282768 487227791 /nfs/dbraw/zinc/22/77/91/487227791.db2.gz MOBAMGKXQBMJQD-AWEZNQCLSA-N 2 2 329.404 1.520 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000678080363 487243489 /nfs/dbraw/zinc/24/34/89/487243489.db2.gz ASFCPSRQBLAUCM-HYVNUMGLSA-N 2 2 332.448 1.403 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000678080363 487243494 /nfs/dbraw/zinc/24/34/94/487243494.db2.gz ASFCPSRQBLAUCM-HYVNUMGLSA-N 2 2 332.448 1.403 20 0 EDADLP COC1CCC(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000681994943 487274909 /nfs/dbraw/zinc/27/49/09/487274909.db2.gz PMFFHSGQCAYPTL-UHFFFAOYSA-N 2 2 325.497 1.676 20 0 EDADLP COC1CCC(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000681994943 487274913 /nfs/dbraw/zinc/27/49/13/487274913.db2.gz PMFFHSGQCAYPTL-UHFFFAOYSA-N 2 2 325.497 1.676 20 0 EDADLP CCc1nn(C)cc1C[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000685444514 487276935 /nfs/dbraw/zinc/27/69/35/487276935.db2.gz DQAZNZJSZPQTDB-UHFFFAOYSA-N 2 2 338.496 1.542 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)C1 ZINC000678258510 487277405 /nfs/dbraw/zinc/27/74/05/487277405.db2.gz AXCKFLRXURRPGM-GOSISDBHSA-N 2 2 344.507 1.289 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)C1 ZINC000678258510 487277408 /nfs/dbraw/zinc/27/74/08/487277408.db2.gz AXCKFLRXURRPGM-GOSISDBHSA-N 2 2 344.507 1.289 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC(C)(C)OCC3(C)C)cn2)CC1 ZINC000678269823 487278125 /nfs/dbraw/zinc/27/81/25/487278125.db2.gz LALNJLCMYSXTCY-UHFFFAOYSA-N 2 2 333.480 1.618 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC(C)(C)OCC3(C)C)cn2)CC1 ZINC000678269823 487278128 /nfs/dbraw/zinc/27/81/28/487278128.db2.gz LALNJLCMYSXTCY-UHFFFAOYSA-N 2 2 333.480 1.618 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(C)CCOCC3)C2)CC1 ZINC000674673916 487296004 /nfs/dbraw/zinc/29/60/04/487296004.db2.gz SDFVTKDMBBBHSZ-OAHLLOKOSA-N 2 2 338.496 1.271 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(C)CCOCC3)C2)CC1 ZINC000674673916 487296007 /nfs/dbraw/zinc/29/60/07/487296007.db2.gz SDFVTKDMBBBHSZ-OAHLLOKOSA-N 2 2 338.496 1.271 20 0 EDADLP Cc1ncc([C@H](C)[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c(C)n1 ZINC000682070083 487298678 /nfs/dbraw/zinc/29/86/78/487298678.db2.gz JMRRICMVKRIDLS-DOTOQJQBSA-N 2 2 333.480 1.103 20 0 EDADLP Cc1ncc([C@H](C)[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)c(C)n1 ZINC000682070083 487298681 /nfs/dbraw/zinc/29/86/81/487298681.db2.gz JMRRICMVKRIDLS-DOTOQJQBSA-N 2 2 333.480 1.103 20 0 EDADLP CN(C(=O)c1cccc2n[nH]nc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682158130 487310631 /nfs/dbraw/zinc/31/06/31/487310631.db2.gz FFJSHHJQKWFRPA-CQSZACIVSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)c1cccc2n[nH]nc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682158130 487310634 /nfs/dbraw/zinc/31/06/34/487310634.db2.gz FFJSHHJQKWFRPA-CQSZACIVSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)c1cccc2nn[nH]c21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682158130 487310638 /nfs/dbraw/zinc/31/06/38/487310638.db2.gz FFJSHHJQKWFRPA-CQSZACIVSA-N 2 2 342.447 1.198 20 0 EDADLP CN(C(=O)c1cccc2nn[nH]c21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682158130 487310639 /nfs/dbraw/zinc/31/06/39/487310639.db2.gz FFJSHHJQKWFRPA-CQSZACIVSA-N 2 2 342.447 1.198 20 0 EDADLP C[NH2+]C(C)(C)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000678887034 487376183 /nfs/dbraw/zinc/37/61/83/487376183.db2.gz WFALGLDPAWTZGN-UHFFFAOYSA-N 2 2 347.463 1.194 20 0 EDADLP C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675311657 487397435 /nfs/dbraw/zinc/39/74/35/487397435.db2.gz IFGFAPSQDDZHLG-PMPSAXMXSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675311657 487397438 /nfs/dbraw/zinc/39/74/38/487397438.db2.gz IFGFAPSQDDZHLG-PMPSAXMXSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)c3cccnc3)C2)CC1 ZINC000679231512 487403736 /nfs/dbraw/zinc/40/37/36/487403736.db2.gz FQUREGVCPWBJEH-INIZCTEOSA-N 2 2 330.476 1.644 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)c3cccnc3)C2)CC1 ZINC000679231512 487403738 /nfs/dbraw/zinc/40/37/38/487403738.db2.gz FQUREGVCPWBJEH-INIZCTEOSA-N 2 2 330.476 1.644 20 0 EDADLP COCCN(C)c1ccc(CNc2cnn(CC[NH+](C)C)c2)c[nH+]1 ZINC000682940930 487433382 /nfs/dbraw/zinc/43/33/82/487433382.db2.gz QDXAFKGVKGQXQK-UHFFFAOYSA-N 2 2 332.452 1.534 20 0 EDADLP CN(CCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000675746905 487440974 /nfs/dbraw/zinc/44/09/74/487440974.db2.gz QUCSEBQELLWJHG-KRWDZBQOSA-N 2 2 339.505 1.522 20 0 EDADLP CN(CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(C)(=O)=O ZINC000675746905 487440975 /nfs/dbraw/zinc/44/09/75/487440975.db2.gz QUCSEBQELLWJHG-KRWDZBQOSA-N 2 2 339.505 1.522 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000679825901 487466451 /nfs/dbraw/zinc/46/64/51/487466451.db2.gz FYWSJXHJWFBZQS-OALUTQOASA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000679825901 487466453 /nfs/dbraw/zinc/46/64/53/487466453.db2.gz FYWSJXHJWFBZQS-OALUTQOASA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000669517072 485481684 /nfs/dbraw/zinc/48/16/84/485481684.db2.gz ZFEUPEWGFLBLBZ-YNEHKIRRSA-N 2 2 336.402 1.639 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000669517072 485481678 /nfs/dbraw/zinc/48/16/78/485481678.db2.gz ZFEUPEWGFLBLBZ-YNEHKIRRSA-N 2 2 336.402 1.639 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3([NH+](C)C)CC3)CC2)c1 ZINC000668238955 485496759 /nfs/dbraw/zinc/49/67/59/485496759.db2.gz DBBKDSUMWSWSCI-HNNXBMFYSA-N 2 2 331.460 1.995 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCc1ccc(F)cc1 ZINC000324189783 485509603 /nfs/dbraw/zinc/50/96/03/485509603.db2.gz JYHBYXVOZPTCND-AEFFLSMTSA-N 2 2 333.451 1.948 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCc1ccc(F)cc1 ZINC000324189783 485509606 /nfs/dbraw/zinc/50/96/06/485509606.db2.gz JYHBYXVOZPTCND-AEFFLSMTSA-N 2 2 333.451 1.948 20 0 EDADLP Cc1[nH+]cc(C[N@H+](C)CCCN2C(=O)c3ccccc3C2=O)n1C ZINC000668250909 485513811 /nfs/dbraw/zinc/51/38/11/485513811.db2.gz HPXVZRZZZNEONK-UHFFFAOYSA-N 2 2 326.400 1.847 20 0 EDADLP Cc1[nH+]cc(C[N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)n1C ZINC000668250909 485513819 /nfs/dbraw/zinc/51/38/19/485513819.db2.gz HPXVZRZZZNEONK-UHFFFAOYSA-N 2 2 326.400 1.847 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000324404370 485555842 /nfs/dbraw/zinc/55/58/42/485555842.db2.gz UDPFJOADWIDANR-UKRRQHHQSA-N 2 2 331.416 1.818 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000324404370 485555847 /nfs/dbraw/zinc/55/58/47/485555847.db2.gz UDPFJOADWIDANR-UKRRQHHQSA-N 2 2 331.416 1.818 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCO1 ZINC000669028461 485576052 /nfs/dbraw/zinc/57/60/52/485576052.db2.gz YVRYEUOIAOEZNL-ZWNOBZJWSA-N 2 2 337.811 1.245 20 0 EDADLP CN(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000670985801 485609113 /nfs/dbraw/zinc/60/91/13/485609113.db2.gz JNVKHZLMGKAFFO-SFHVURJKSA-N 2 2 331.460 1.836 20 0 EDADLP CN(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000670985801 485609130 /nfs/dbraw/zinc/60/91/30/485609130.db2.gz JNVKHZLMGKAFFO-SFHVURJKSA-N 2 2 331.460 1.836 20 0 EDADLP CN(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000670986273 485610709 /nfs/dbraw/zinc/61/07/09/485610709.db2.gz RMDKACJBRMYHHN-GOSISDBHSA-N 2 2 337.508 1.964 20 0 EDADLP CN(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000670986273 485610714 /nfs/dbraw/zinc/61/07/14/485610714.db2.gz RMDKACJBRMYHHN-GOSISDBHSA-N 2 2 337.508 1.964 20 0 EDADLP Cn1cc([C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ccccc2)cn1 ZINC000282033206 485812458 /nfs/dbraw/zinc/81/24/58/485812458.db2.gz TZNUVGLPUSHHLC-IBGZPJMESA-N 2 2 341.459 1.263 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000668506959 485821623 /nfs/dbraw/zinc/82/16/23/485821623.db2.gz LXYLOGHNHVQVET-QMCVQRASSA-N 2 2 344.521 1.431 20 0 EDADLP CC(C)CCO[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093476182 485982357 /nfs/dbraw/zinc/98/23/57/485982357.db2.gz FKECLVWEOCKZHF-GOSISDBHSA-N 2 2 347.507 1.865 20 0 EDADLP CC(C)CCO[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000093476182 485982370 /nfs/dbraw/zinc/98/23/70/485982370.db2.gz FKECLVWEOCKZHF-GOSISDBHSA-N 2 2 347.507 1.865 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(Cl)cnn1C ZINC000668687187 486046223 /nfs/dbraw/zinc/04/62/23/486046223.db2.gz JNIAVIAKHMYILD-UHFFFAOYSA-N 2 2 327.860 1.172 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(Cl)cnn1C ZINC000668687187 486046230 /nfs/dbraw/zinc/04/62/30/486046230.db2.gz JNIAVIAKHMYILD-UHFFFAOYSA-N 2 2 327.860 1.172 20 0 EDADLP Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669410640 486104977 /nfs/dbraw/zinc/10/49/77/486104977.db2.gz YGGKBJPCIPOZLD-JKSUJKDBSA-N 2 2 334.464 1.355 20 0 EDADLP Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669410640 486104983 /nfs/dbraw/zinc/10/49/83/486104983.db2.gz YGGKBJPCIPOZLD-JKSUJKDBSA-N 2 2 334.464 1.355 20 0 EDADLP COc1ccccc1C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669423748 486143858 /nfs/dbraw/zinc/14/38/58/486143858.db2.gz DUMUKUPQOPIPSY-CQSZACIVSA-N 2 2 334.464 1.257 20 0 EDADLP COc1ccccc1C(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669423748 486143865 /nfs/dbraw/zinc/14/38/65/486143865.db2.gz DUMUKUPQOPIPSY-CQSZACIVSA-N 2 2 334.464 1.257 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)no1 ZINC000668490506 491180546 /nfs/dbraw/zinc/18/05/46/491180546.db2.gz XBNYXUJOWKXKGC-KRWDZBQOSA-N 2 2 331.416 1.677 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)no1 ZINC000668490506 491180550 /nfs/dbraw/zinc/18/05/50/491180550.db2.gz XBNYXUJOWKXKGC-KRWDZBQOSA-N 2 2 331.416 1.677 20 0 EDADLP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCOCC1 ZINC000183497108 533743113 /nfs/dbraw/zinc/74/31/13/533743113.db2.gz MMGUKSYRLPUMNO-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCOCC1 ZINC000183497108 533743117 /nfs/dbraw/zinc/74/31/17/533743117.db2.gz MMGUKSYRLPUMNO-INIZCTEOSA-N 2 2 334.464 1.138 20 0 EDADLP O=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000186883835 534332253 /nfs/dbraw/zinc/33/22/53/534332253.db2.gz BTYDQWZJFSMHSY-UHFFFAOYSA-N 2 2 347.463 1.203 20 0 EDADLP O=C(NCC[N@H+]1CCCOCC1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000186883835 534332256 /nfs/dbraw/zinc/33/22/56/534332256.db2.gz BTYDQWZJFSMHSY-UHFFFAOYSA-N 2 2 347.463 1.203 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178072434 534686741 /nfs/dbraw/zinc/68/67/41/534686741.db2.gz MASBLLQYFMUFQM-HNNXBMFYSA-N 2 2 341.415 1.062 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1csc(CC(=O)N(C)C)n1 ZINC000178303679 534779253 /nfs/dbraw/zinc/77/92/53/534779253.db2.gz XSNAXFJHDCJBKO-HNNXBMFYSA-N 2 2 347.488 1.943 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1csc(CC(=O)N(C)C)n1 ZINC000178303679 534779256 /nfs/dbraw/zinc/77/92/56/534779256.db2.gz XSNAXFJHDCJBKO-HNNXBMFYSA-N 2 2 347.488 1.943 20 0 EDADLP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000173829263 528229523 /nfs/dbraw/zinc/22/95/23/528229523.db2.gz GXEJCRBJKBUXLH-HOTGVXAUSA-N 2 2 326.485 1.223 20 0 EDADLP CC1CC[NH+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000164131159 528245146 /nfs/dbraw/zinc/24/51/46/528245146.db2.gz OCXLRBKSGMKISZ-INIZCTEOSA-N 2 2 331.464 1.691 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153071003 528741207 /nfs/dbraw/zinc/74/12/07/528741207.db2.gz WRMWZKUKPWGZKQ-INIZCTEOSA-N 2 2 347.463 1.024 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000129401350 528977485 /nfs/dbraw/zinc/97/74/85/528977485.db2.gz JMQKVDMZNASQSY-DOTOQJQBSA-N 3 2 333.480 1.367 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000129401350 528977489 /nfs/dbraw/zinc/97/74/89/528977489.db2.gz JMQKVDMZNASQSY-DOTOQJQBSA-N 3 2 333.480 1.367 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000168163868 529036433 /nfs/dbraw/zinc/03/64/33/529036433.db2.gz NVEPSWILPZCRJS-HIFRSBDPSA-N 2 2 325.478 1.563 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000122603262 534953888 /nfs/dbraw/zinc/95/38/88/534953888.db2.gz UXUNOHVNXWXJEN-HZPDHXFCSA-N 2 2 331.464 1.691 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000122603262 534953894 /nfs/dbraw/zinc/95/38/94/534953894.db2.gz UXUNOHVNXWXJEN-HZPDHXFCSA-N 2 2 331.464 1.691 20 0 EDADLP CC1(C)NC(=O)N(CCC[NH+]2CCC([NH+]3CCCCC3)CC2)C1=O ZINC000331906185 534977421 /nfs/dbraw/zinc/97/74/21/534977421.db2.gz XDJFNUYUAXULEJ-UHFFFAOYSA-N 2 2 336.480 1.657 20 0 EDADLP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000262642205 535537701 /nfs/dbraw/zinc/53/77/01/535537701.db2.gz LKRRBVPTEUENAD-SFHVURJKSA-N 3 2 343.475 1.259 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)[C@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346541222 535546236 /nfs/dbraw/zinc/54/62/36/535546236.db2.gz YTHXJTVIUAADGQ-SJORKVTESA-N 2 2 348.491 1.629 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000072803357 535599762 /nfs/dbraw/zinc/59/97/62/535599762.db2.gz NJQPVZAYVMBCMR-UONOGXRCSA-N 2 2 326.485 1.663 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000072803357 535599766 /nfs/dbraw/zinc/59/97/66/535599766.db2.gz NJQPVZAYVMBCMR-UONOGXRCSA-N 2 2 326.485 1.663 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)CC1 ZINC000245943178 535735952 /nfs/dbraw/zinc/73/59/52/535735952.db2.gz VUTXQHQUONYCAY-CRAIPNDOSA-N 2 2 348.466 1.865 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(F)c3)C2)CC1 ZINC000245943178 535735955 /nfs/dbraw/zinc/73/59/55/535735955.db2.gz VUTXQHQUONYCAY-CRAIPNDOSA-N 2 2 348.466 1.865 20 0 EDADLP CC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245902944 535749965 /nfs/dbraw/zinc/74/99/65/535749965.db2.gz UJEZKBGVVCUCRG-CVEARBPZSA-N 2 2 340.418 1.961 20 0 EDADLP CC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245902944 535749967 /nfs/dbraw/zinc/74/99/67/535749967.db2.gz UJEZKBGVVCUCRG-CVEARBPZSA-N 2 2 340.418 1.961 20 0 EDADLP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245902944 535749969 /nfs/dbraw/zinc/74/99/69/535749969.db2.gz UJEZKBGVVCUCRG-CVEARBPZSA-N 2 2 340.418 1.961 20 0 EDADLP CC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245902944 535749970 /nfs/dbraw/zinc/74/99/70/535749970.db2.gz UJEZKBGVVCUCRG-CVEARBPZSA-N 2 2 340.418 1.961 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@@]2(CO)CCOc3ccccc32)s1 ZINC000352857932 536059605 /nfs/dbraw/zinc/05/96/05/536059605.db2.gz KWTDHIWXSXYZRM-QGZVFWFLSA-N 2 2 333.457 1.965 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262080161 536159838 /nfs/dbraw/zinc/15/98/38/536159838.db2.gz QLIOANIWBNSRFR-OAHLLOKOSA-N 2 2 341.459 1.105 20 0 EDADLP C[NH+](CCCn1cc[nH+]c1)CCOCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000271696493 536362664 /nfs/dbraw/zinc/36/26/64/536362664.db2.gz MTQCOOHWKWLIQF-UHFFFAOYSA-N 4 2 348.495 1.440 20 0 EDADLP C[NH+](CCCn1cc[nH+]c1)CCOCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271696493 536362665 /nfs/dbraw/zinc/36/26/65/536362665.db2.gz MTQCOOHWKWLIQF-UHFFFAOYSA-N 4 2 348.495 1.440 20 0 EDADLP C[NH+](CCCn1cc[nH+]c1)CCOCC[N@H+](C)CCCn1ccnc1 ZINC000271696493 536362670 /nfs/dbraw/zinc/36/26/70/536362670.db2.gz MTQCOOHWKWLIQF-UHFFFAOYSA-N 3 2 348.495 1.440 20 0 EDADLP C[NH+](CCCn1cc[nH+]c1)CCOCC[N@@H+](C)CCCn1ccnc1 ZINC000271696493 536362672 /nfs/dbraw/zinc/36/26/72/536362672.db2.gz MTQCOOHWKWLIQF-UHFFFAOYSA-N 3 2 348.495 1.440 20 0 EDADLP C[NH+](CCCn1ccnc1)CCOCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000271696493 536362674 /nfs/dbraw/zinc/36/26/74/536362674.db2.gz MTQCOOHWKWLIQF-UHFFFAOYSA-N 3 2 348.495 1.440 20 0 EDADLP C[NH+](CCCn1ccnc1)CCOCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271696493 536362675 /nfs/dbraw/zinc/36/26/75/536362675.db2.gz MTQCOOHWKWLIQF-UHFFFAOYSA-N 3 2 348.495 1.440 20 0 EDADLP COc1cc(C)[nH+]c(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)c1 ZINC000270218588 536689336 /nfs/dbraw/zinc/68/93/36/536689336.db2.gz FLJWKOZNVYSQBS-UHFFFAOYSA-N 2 2 329.448 1.840 20 0 EDADLP COc1cc(C)[nH+]c(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1 ZINC000270218588 536689347 /nfs/dbraw/zinc/68/93/47/536689347.db2.gz FLJWKOZNVYSQBS-UHFFFAOYSA-N 2 2 329.448 1.840 20 0 EDADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000247195865 536797807 /nfs/dbraw/zinc/79/78/07/536797807.db2.gz VZRDPUDSRPIFBW-IEBWSBKVSA-N 3 2 334.508 1.850 20 0 EDADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000247195865 536797815 /nfs/dbraw/zinc/79/78/15/536797815.db2.gz VZRDPUDSRPIFBW-IEBWSBKVSA-N 3 2 334.508 1.850 20 0 EDADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247195865 536797816 /nfs/dbraw/zinc/79/78/16/536797816.db2.gz VZRDPUDSRPIFBW-IEBWSBKVSA-N 3 2 334.508 1.850 20 0 EDADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247195865 536797818 /nfs/dbraw/zinc/79/78/18/536797818.db2.gz VZRDPUDSRPIFBW-IEBWSBKVSA-N 3 2 334.508 1.850 20 0 EDADLP C[NH+](C)CCNC(=S)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000741877622 579431094 /nfs/dbraw/zinc/43/10/94/579431094.db2.gz YHFCCJHONSESDC-HNNXBMFYSA-N 2 2 329.473 1.923 20 0 EDADLP CCOC(=O)N1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000727932153 578541346 /nfs/dbraw/zinc/54/13/46/578541346.db2.gz WHAZECFIWPTTAQ-GOSISDBHSA-N 2 2 349.475 1.644 20 0 EDADLP CCOC(=O)N1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000727932153 578541347 /nfs/dbraw/zinc/54/13/47/578541347.db2.gz WHAZECFIWPTTAQ-GOSISDBHSA-N 2 2 349.475 1.644 20 0 EDADLP CCOC(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000727932153 578541348 /nfs/dbraw/zinc/54/13/48/578541348.db2.gz WHAZECFIWPTTAQ-GOSISDBHSA-N 2 2 349.475 1.644 20 0 EDADLP CCOC(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000727932153 578541349 /nfs/dbraw/zinc/54/13/49/578541349.db2.gz WHAZECFIWPTTAQ-GOSISDBHSA-N 2 2 349.475 1.644 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cn3nccc3-c3ccncc3)CC2)C1 ZINC000738213107 578626320 /nfs/dbraw/zinc/62/63/20/578626320.db2.gz KIKPQBOYOMTUCQ-GOSISDBHSA-N 2 2 340.475 1.614 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cn3nccc3-c3ccncc3)CC2)C1 ZINC000738213107 578626322 /nfs/dbraw/zinc/62/63/22/578626322.db2.gz KIKPQBOYOMTUCQ-GOSISDBHSA-N 2 2 340.475 1.614 20 0 EDADLP CN(C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732460701 578713860 /nfs/dbraw/zinc/71/38/60/578713860.db2.gz SNALGYAYOQGYOX-MRXNPFEDSA-N 2 2 340.431 1.645 20 0 EDADLP CN(C(=O)CCCn1cccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559258 578717854 /nfs/dbraw/zinc/71/78/54/578717854.db2.gz JPTSJBNELXCQIZ-KRWDZBQOSA-N 2 2 333.480 1.290 20 0 EDADLP CN(C(=O)CCCn1cccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559258 578717855 /nfs/dbraw/zinc/71/78/55/578717855.db2.gz JPTSJBNELXCQIZ-KRWDZBQOSA-N 2 2 333.480 1.290 20 0 EDADLP CN(C(=O)/C=C\c1cnn(C)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559780 578717894 /nfs/dbraw/zinc/71/78/94/578717894.db2.gz RANKQSCCVQUWDQ-VGOKWCNXSA-N 2 2 331.464 1.060 20 0 EDADLP CN(C(=O)/C=C\c1cnn(C)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559780 578717896 /nfs/dbraw/zinc/71/78/96/578717896.db2.gz RANKQSCCVQUWDQ-VGOKWCNXSA-N 2 2 331.464 1.060 20 0 EDADLP CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000733036796 578739805 /nfs/dbraw/zinc/73/98/05/578739805.db2.gz JLHQVVIXAFUAQN-UHFFFAOYSA-N 2 2 328.420 1.505 20 0 EDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000736197212 578962297 /nfs/dbraw/zinc/96/22/97/578962297.db2.gz LUFCVNPDTRBHRC-GJZGRUSLSA-N 2 2 342.447 1.582 20 0 EDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000736197212 578962298 /nfs/dbraw/zinc/96/22/98/578962298.db2.gz LUFCVNPDTRBHRC-GJZGRUSLSA-N 2 2 342.447 1.582 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000736657046 579010411 /nfs/dbraw/zinc/01/04/11/579010411.db2.gz PDJSLFVEQNMCHQ-MRXNPFEDSA-N 2 2 343.431 1.392 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000736657046 579010412 /nfs/dbraw/zinc/01/04/12/579010412.db2.gz PDJSLFVEQNMCHQ-MRXNPFEDSA-N 2 2 343.431 1.392 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(N3C(=O)[C@@H]4CCCCCN4C3=O)CC2)CC1 ZINC000761185741 580050721 /nfs/dbraw/zinc/05/07/21/580050721.db2.gz QQSJSBGUQLSATE-KRWDZBQOSA-N 2 2 348.491 1.752 20 0 EDADLP C[C@@H]1CCN2C(=O)N([C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@H]2C1 ZINC000761297945 580054233 /nfs/dbraw/zinc/05/42/33/580054233.db2.gz CIQNHIFUZGWSRJ-FVQBIDKESA-N 2 2 334.464 1.218 20 0 EDADLP C[C@@H]1CCN2C(=O)N([C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C(=O)[C@H]2C1 ZINC000761297945 580054234 /nfs/dbraw/zinc/05/42/34/580054234.db2.gz CIQNHIFUZGWSRJ-FVQBIDKESA-N 2 2 334.464 1.218 20 0 EDADLP C[C@@H]1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CCC1 ZINC000761302905 580054360 /nfs/dbraw/zinc/05/43/60/580054360.db2.gz LRKNYJJCXFHLFY-CJNGLKHVSA-N 2 2 334.464 1.360 20 0 EDADLP C[C@@H]1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C1CCC1 ZINC000761302905 580054361 /nfs/dbraw/zinc/05/43/61/580054361.db2.gz LRKNYJJCXFHLFY-CJNGLKHVSA-N 2 2 334.464 1.360 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000744425967 579510515 /nfs/dbraw/zinc/51/05/15/579510515.db2.gz DILVCEWBPJPACA-MRXNPFEDSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000744425967 579510517 /nfs/dbraw/zinc/51/05/17/579510517.db2.gz DILVCEWBPJPACA-MRXNPFEDSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000745484365 579551378 /nfs/dbraw/zinc/55/13/78/579551378.db2.gz XGDGRWZJOQQFTJ-HIFRSBDPSA-N 2 2 328.420 1.549 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2cccnc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000745484365 579551379 /nfs/dbraw/zinc/55/13/79/579551379.db2.gz XGDGRWZJOQQFTJ-HIFRSBDPSA-N 2 2 328.420 1.549 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N3CCO[C@H](C)C3)C2)CC1 ZINC000748435590 579686228 /nfs/dbraw/zinc/68/62/28/579686228.db2.gz IHOFXVLWQPGOOX-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N3CCO[C@H](C)C3)C2)CC1 ZINC000748435590 579686229 /nfs/dbraw/zinc/68/62/29/579686229.db2.gz IHOFXVLWQPGOOX-MSOLQXFVSA-N 2 2 337.508 1.678 20 0 EDADLP C[NH+]1CCC(CN2C(=O)CN(C3CC3)C2=O)([NH+]2CCCCC2)CC1 ZINC000777663606 580447845 /nfs/dbraw/zinc/44/78/45/580447845.db2.gz KWIFDPUKRNETCK-UHFFFAOYSA-N 2 2 334.464 1.363 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000748969321 579708728 /nfs/dbraw/zinc/70/87/28/579708728.db2.gz MSGNBBZNOMCFLH-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000748969321 579708729 /nfs/dbraw/zinc/70/87/29/579708729.db2.gz MSGNBBZNOMCFLH-OAHLLOKOSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000750852038 579783704 /nfs/dbraw/zinc/78/37/04/579783704.db2.gz HHAXDUPJCQIVOM-UHFFFAOYSA-N 2 2 331.460 1.362 20 0 EDADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000753825342 579888759 /nfs/dbraw/zinc/88/87/59/579888759.db2.gz RVJNGAIQGHGGBE-CHWSQXEVSA-N 2 2 326.510 1.789 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000756118809 579943836 /nfs/dbraw/zinc/94/38/36/579943836.db2.gz HYWQDCSRPSIOEU-HNNXBMFYSA-N 2 2 349.479 1.764 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000756118809 579943837 /nfs/dbraw/zinc/94/38/37/579943837.db2.gz HYWQDCSRPSIOEU-HNNXBMFYSA-N 2 2 349.479 1.764 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC000757665749 579969824 /nfs/dbraw/zinc/96/98/24/579969824.db2.gz OLLGRNFKFUEMMV-WBMJQRKESA-N 2 2 332.448 1.989 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1C ZINC000757665749 579969825 /nfs/dbraw/zinc/96/98/25/579969825.db2.gz OLLGRNFKFUEMMV-WBMJQRKESA-N 2 2 332.448 1.989 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000758735354 579990629 /nfs/dbraw/zinc/99/06/29/579990629.db2.gz CHOGQZPTYMGCDZ-MRXNPFEDSA-N 2 2 342.447 1.941 20 0 EDADLP COC(=O)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(F)c1 ZINC000759126617 579999260 /nfs/dbraw/zinc/99/92/60/579999260.db2.gz XLDPNOUFKMIAJL-UHFFFAOYSA-N 2 2 349.450 1.826 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@@H](C3CC3)CC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763329937 580097781 /nfs/dbraw/zinc/09/77/81/580097781.db2.gz ALYWUXHVJOWVRH-BPQIPLTHSA-N 2 2 334.508 1.160 20 0 EDADLP c1nc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000764781030 580128615 /nfs/dbraw/zinc/12/86/15/580128615.db2.gz VBODHSDHIFEWFM-MRXNPFEDSA-N 2 2 347.463 1.369 20 0 EDADLP c1nc(N2CCOCC2)cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]1 ZINC000764781030 580128616 /nfs/dbraw/zinc/12/86/16/580128616.db2.gz VBODHSDHIFEWFM-MRXNPFEDSA-N 2 2 347.463 1.369 20 0 EDADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765848642 580152589 /nfs/dbraw/zinc/15/25/89/580152589.db2.gz KBHJAWDABUNPAC-JQWIXIFHSA-N 2 2 336.404 1.256 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C\c3cncc(O)c3)C2)CC1 ZINC000779665054 580494018 /nfs/dbraw/zinc/49/40/18/580494018.db2.gz QCODHRIYSGVFPI-MPNWYJEXSA-N 2 2 330.432 1.085 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C\c3cncc(O)c3)C2)CC1 ZINC000779665054 580494019 /nfs/dbraw/zinc/49/40/19/580494019.db2.gz QCODHRIYSGVFPI-MPNWYJEXSA-N 2 2 330.432 1.085 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000783993909 580610960 /nfs/dbraw/zinc/61/09/60/580610960.db2.gz NLYLOKPSRMPPKC-IRXDYDNUSA-N 2 2 345.491 1.644 20 0 EDADLP Cc1nc(F)ccc1C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000785515567 580646288 /nfs/dbraw/zinc/64/62/88/580646288.db2.gz OWDITUDUZYNHIQ-CQSZACIVSA-N 2 2 331.395 1.543 20 0 EDADLP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000787920258 580709307 /nfs/dbraw/zinc/70/93/07/580709307.db2.gz WRIRNELHCLKNAG-UHFFFAOYSA-N 2 2 335.452 1.195 20 0 EDADLP CCOC(=O)[C@@H]1[C@@H]([NH2+]C[C@H](C)[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC000788588969 580725251 /nfs/dbraw/zinc/72/52/51/580725251.db2.gz PAUPCDTUAGOCFG-IHRRRGAJSA-N 2 2 343.468 1.467 20 0 EDADLP CC[C@H](C)CC[C@H](O)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000793491863 580845651 /nfs/dbraw/zinc/84/56/51/580845651.db2.gz OQVPNUPNAIXSBD-JZXOWHBKSA-N 2 2 339.524 1.848 20 0 EDADLP CC[C@H](C)CC[C@H](O)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000793491863 580845652 /nfs/dbraw/zinc/84/56/52/580845652.db2.gz OQVPNUPNAIXSBD-JZXOWHBKSA-N 2 2 339.524 1.848 20 0 EDADLP Cc1ccc(N2CCC(C(=O)OCC[N@@H+]3CCO[C@@H](C)C3)CC2)[nH+]c1 ZINC000800147996 581045092 /nfs/dbraw/zinc/04/50/92/581045092.db2.gz DPZZQLIULJCJQM-INIZCTEOSA-N 2 2 347.459 1.870 20 0 EDADLP Cc1ccc(N2CCC(C(=O)OCC[N@H+]3CCO[C@@H](C)C3)CC2)[nH+]c1 ZINC000800147996 581045093 /nfs/dbraw/zinc/04/50/93/581045093.db2.gz DPZZQLIULJCJQM-INIZCTEOSA-N 2 2 347.459 1.870 20 0 EDADLP CCc1ccc([C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000800569070 581055033 /nfs/dbraw/zinc/05/50/33/581055033.db2.gz ISZASINUYLDCCA-GOSISDBHSA-N 2 2 331.460 1.444 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891906439 590680804 /nfs/dbraw/zinc/68/08/04/590680804.db2.gz MWVKMCHGGPUTSO-CJNGLKHVSA-N 2 2 331.464 1.879 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891906439 590680807 /nfs/dbraw/zinc/68/08/07/590680807.db2.gz MWVKMCHGGPUTSO-CJNGLKHVSA-N 2 2 331.464 1.879 20 0 EDADLP CN(C)c1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc[nH+]1 ZINC000893158994 590688224 /nfs/dbraw/zinc/68/82/24/590688224.db2.gz HPQFLPPLVCFCRG-UHFFFAOYSA-N 2 2 332.496 1.397 20 0 EDADLP CN(C)c1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[nH+]cn1 ZINC000893158994 590688227 /nfs/dbraw/zinc/68/82/27/590688227.db2.gz HPQFLPPLVCFCRG-UHFFFAOYSA-N 2 2 332.496 1.397 20 0 EDADLP C[C@H](CNC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000893342983 590792027 /nfs/dbraw/zinc/79/20/27/590792027.db2.gz DKJWROMDISGJMQ-CQSZACIVSA-N 2 2 328.501 1.515 20 0 EDADLP Cn1c[nH+]c(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000892124869 590812045 /nfs/dbraw/zinc/81/20/45/590812045.db2.gz CEUGZFYTKMMGTQ-UHFFFAOYSA-N 2 2 343.431 1.252 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C2)cc1 ZINC000892140626 590818923 /nfs/dbraw/zinc/81/89/23/590818923.db2.gz CJQTZZCTAGLFJA-BFYDXBDKSA-N 2 2 334.464 1.231 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])C2)cc1 ZINC000892140626 590818925 /nfs/dbraw/zinc/81/89/25/590818925.db2.gz CJQTZZCTAGLFJA-BFYDXBDKSA-N 2 2 334.464 1.231 20 0 EDADLP C[C@H]1C[N@H+](Cc2c3c(nn2C)CCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892151776 590824978 /nfs/dbraw/zinc/82/49/78/590824978.db2.gz BKRVPWIQLCPJKE-MAUKXSAKSA-N 2 2 331.508 1.367 20 0 EDADLP CNc1cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)nc[nH+]1 ZINC000892294398 590920279 /nfs/dbraw/zinc/92/02/79/590920279.db2.gz SNFZKXQWBWRVMD-UHFFFAOYSA-N 2 2 328.420 1.422 20 0 EDADLP CNc1cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)[nH+]cn1 ZINC000892294398 590920281 /nfs/dbraw/zinc/92/02/81/590920281.db2.gz SNFZKXQWBWRVMD-UHFFFAOYSA-N 2 2 328.420 1.422 20 0 EDADLP CC[NH+]1CCN(C(=O)CNc2cc(C3CC3)[nH+]c(C3CC3)n2)CC1 ZINC000892316048 590939342 /nfs/dbraw/zinc/93/93/42/590939342.db2.gz VVWQLGHTDNMDCA-UHFFFAOYSA-N 2 2 329.448 1.807 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000892370971 590996580 /nfs/dbraw/zinc/99/65/80/590996580.db2.gz ZYBXYGOAMKMCLY-WBVHZDCISA-N 2 2 325.416 1.718 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000892370971 590996585 /nfs/dbraw/zinc/99/65/85/590996585.db2.gz ZYBXYGOAMKMCLY-WBVHZDCISA-N 2 2 325.416 1.718 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000892403382 591013104 /nfs/dbraw/zinc/01/31/04/591013104.db2.gz AHTJMEIURSALIP-DLBZAZTESA-N 2 2 341.459 1.879 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892461138 591035974 /nfs/dbraw/zinc/03/59/74/591035974.db2.gz AZAGOZXYRNMPJU-UHFFFAOYSA-N 2 2 329.448 1.588 20 0 EDADLP COCCC1(NC(=O)NCc2ccc(N(C)C)[nH+]c2)CC[NH2+]CC1 ZINC000891348499 591053916 /nfs/dbraw/zinc/05/39/16/591053916.db2.gz QNOFRJBSUURQGS-UHFFFAOYSA-N 2 2 335.452 1.106 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c[nH+]1 ZINC000891349077 591054659 /nfs/dbraw/zinc/05/46/59/591054659.db2.gz USEBRJRJMRAPNE-RYUDHWBXSA-N 2 2 345.369 1.426 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000892536619 591064004 /nfs/dbraw/zinc/06/40/04/591064004.db2.gz RKQLDGUFENUZKY-FUHWJXTLSA-N 2 2 346.475 1.199 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000892536619 591064009 /nfs/dbraw/zinc/06/40/09/591064009.db2.gz RKQLDGUFENUZKY-FUHWJXTLSA-N 2 2 346.475 1.199 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562980 591073729 /nfs/dbraw/zinc/07/37/29/591073729.db2.gz NUDIDLYFDPGWRP-CQSZACIVSA-N 2 2 328.420 1.551 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000892562980 591073732 /nfs/dbraw/zinc/07/37/32/591073732.db2.gz NUDIDLYFDPGWRP-CQSZACIVSA-N 2 2 328.420 1.551 20 0 EDADLP CCC1([NH3+])CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000891560470 591127160 /nfs/dbraw/zinc/12/71/60/591127160.db2.gz OPWQGQDEFHPOBK-HNNXBMFYSA-N 3 2 337.512 1.068 20 0 EDADLP CCC1([NH3+])CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000891560470 591127162 /nfs/dbraw/zinc/12/71/62/591127162.db2.gz OPWQGQDEFHPOBK-HNNXBMFYSA-N 3 2 337.512 1.068 20 0 EDADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000891605462 591146921 /nfs/dbraw/zinc/14/69/21/591146921.db2.gz FAGJJGKPEBYSKM-CVEARBPZSA-N 3 2 337.512 1.068 20 0 EDADLP CCc1[nH]c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C(=O)OC ZINC000894014887 591171208 /nfs/dbraw/zinc/17/12/08/591171208.db2.gz UFLDRTAJOWZMQK-INIZCTEOSA-N 2 2 348.491 1.576 20 0 EDADLP CCc1[nH]c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C(=O)OC ZINC000894014887 591171212 /nfs/dbraw/zinc/17/12/12/591171212.db2.gz UFLDRTAJOWZMQK-INIZCTEOSA-N 2 2 348.491 1.576 20 0 EDADLP CC[NH+]1CCN(c2ccc([NH2+]C3CCS(=O)(=O)CC3)cc2)CC1 ZINC000894101754 591194255 /nfs/dbraw/zinc/19/42/55/591194255.db2.gz VRZJSUATSJSPFY-UHFFFAOYSA-N 2 2 337.489 1.818 20 0 EDADLP CCNC(=O)C[N@@H+]1CCCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)CC1 ZINC000891763876 591215941 /nfs/dbraw/zinc/21/59/41/591215941.db2.gz FDFVMQIKNQPMAE-UHFFFAOYSA-N 2 2 343.475 1.880 20 0 EDADLP CCNC(=O)C[N@H+]1CCCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)CC1 ZINC000891763876 591215944 /nfs/dbraw/zinc/21/59/44/591215944.db2.gz FDFVMQIKNQPMAE-UHFFFAOYSA-N 2 2 343.475 1.880 20 0 EDADLP COc1ccc2ccc(N3CCN(C(=O)C[NH+](C)C)CC3)[nH+]c2c1 ZINC000891765001 591217204 /nfs/dbraw/zinc/21/72/04/591217204.db2.gz OEKDEYZBBAMHQU-UHFFFAOYSA-N 2 2 328.416 1.454 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cs1 ZINC000894241766 591241886 /nfs/dbraw/zinc/24/18/86/591241886.db2.gz BRKYZJBKWXIVRI-CYBMUJFWSA-N 2 2 339.461 1.212 20 0 EDADLP COC(=O)c1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cs1 ZINC000894241766 591241887 /nfs/dbraw/zinc/24/18/87/591241887.db2.gz BRKYZJBKWXIVRI-CYBMUJFWSA-N 2 2 339.461 1.212 20 0 EDADLP CCO/C=C\[C@](O)(C[NH2+]Cc1c[nH+]c(N(C)C)n1C)C(F)(F)F ZINC000895714224 591259075 /nfs/dbraw/zinc/25/90/75/591259075.db2.gz SBCGBADGLUYFOE-FWWRYZNZSA-N 2 2 336.358 1.419 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](CC(=O)OC)C2)CC1 ZINC000898481879 591369757 /nfs/dbraw/zinc/36/97/57/591369757.db2.gz VKBQXIRYTMJAFU-GOEBONIOSA-N 2 2 340.464 1.725 20 0 EDADLP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC000896210393 591388312 /nfs/dbraw/zinc/38/83/12/591388312.db2.gz MHWFFRGEOCETPM-CJNGLKHVSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC000896210393 591388315 /nfs/dbraw/zinc/38/83/15/591388315.db2.gz MHWFFRGEOCETPM-CJNGLKHVSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000896210393 591388319 /nfs/dbraw/zinc/38/83/19/591388319.db2.gz MHWFFRGEOCETPM-CJNGLKHVSA-N 2 2 335.452 1.017 20 0 EDADLP COCC[NH+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000896210393 591388323 /nfs/dbraw/zinc/38/83/23/591388323.db2.gz MHWFFRGEOCETPM-CJNGLKHVSA-N 2 2 335.452 1.017 20 0 EDADLP COC(=O)c1cc(C)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000896324739 591419483 /nfs/dbraw/zinc/41/94/83/591419483.db2.gz JOJMPDGQBFYORS-ZDUSSCGKSA-N 2 2 349.431 1.273 20 0 EDADLP CC1(C)CC[N@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000898590716 591419714 /nfs/dbraw/zinc/41/97/14/591419714.db2.gz LOMZERNZYQOENN-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP CC1(C)CC[N@@H+](CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000898590716 591419717 /nfs/dbraw/zinc/41/97/17/591419717.db2.gz LOMZERNZYQOENN-INIZCTEOSA-N 2 2 338.496 1.225 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC3(CC2)CC[NH+](C)CC3)nc[nH+]1 ZINC000894926118 591479782 /nfs/dbraw/zinc/47/97/82/591479782.db2.gz PMRLKWRLMGIREN-OAHLLOKOSA-N 2 2 333.480 1.972 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CCC3(CC2)CC[NH+](C)CC3)[nH+]cn1 ZINC000894926118 591479784 /nfs/dbraw/zinc/47/97/84/591479784.db2.gz PMRLKWRLMGIREN-OAHLLOKOSA-N 2 2 333.480 1.972 20 0 EDADLP CN(C(=O)NCc1nc(C[NH+](C)C)cs1)[C@@H]1CCC[N@@H+](C)C1 ZINC000896595508 591546240 /nfs/dbraw/zinc/54/62/40/591546240.db2.gz VDHFOHBTNYORRS-CYBMUJFWSA-N 2 2 325.482 1.440 20 0 EDADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)C12CCC2 ZINC000898842023 591559113 /nfs/dbraw/zinc/55/91/13/591559113.db2.gz QXGYLXPBCRUJSN-LSDHHAIUSA-N 2 2 325.416 1.870 20 0 EDADLP C[C@]1(C[NH+]2CCN(c3nc(N)[nH+]c(C4CC4)n3)CC2)CCCS1 ZINC000897573622 591562407 /nfs/dbraw/zinc/56/24/07/591562407.db2.gz LPBMOFXQUMKGMT-MRXNPFEDSA-N 2 2 334.493 1.739 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)c1ccccc1 ZINC000898882905 591576639 /nfs/dbraw/zinc/57/66/39/591576639.db2.gz AYHQSRWIMLBWPA-RDJZCZTQSA-N 2 2 330.432 1.653 20 0 EDADLP CC(C)(CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)n1cc[nH+]c1 ZINC000898903735 591591843 /nfs/dbraw/zinc/59/18/43/591591843.db2.gz JKSHVDYBBLQCMP-QGZVFWFLSA-N 2 2 342.443 1.635 20 0 EDADLP CC(C)(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)n1cc[nH+]c1 ZINC000898903735 591591849 /nfs/dbraw/zinc/59/18/49/591591849.db2.gz JKSHVDYBBLQCMP-QGZVFWFLSA-N 2 2 342.443 1.635 20 0 EDADLP CCC(CC)[C@H](C(=O)NCC(C)(C)n1cc[nH+]c1)[NH+]1CCOCC1 ZINC000898904498 591592551 /nfs/dbraw/zinc/59/25/51/591592551.db2.gz WKDXXIYCTMLJCL-MRXNPFEDSA-N 2 2 336.480 1.871 20 0 EDADLP CC(C)(C)c1nc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc(N)[nH+]1 ZINC000895122332 591601146 /nfs/dbraw/zinc/60/11/46/591601146.db2.gz CTZSJWBXBBOJOI-ZDUSSCGKSA-N 2 2 334.468 1.489 20 0 EDADLP COc1cc(C[NH+](C)C)ccc1NC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000909465709 591612998 /nfs/dbraw/zinc/61/29/98/591612998.db2.gz BPYOXTZWORWZLS-RVDMUPIBSA-N 2 2 347.459 1.974 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CCO)C2CCCC2)CC1 ZINC000897886099 591706354 /nfs/dbraw/zinc/70/63/54/591706354.db2.gz VHKPVRAIBYHYNQ-KRWDZBQOSA-N 2 2 326.481 1.935 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CC[NH+]([C@@H]3CCC4(C[C@H]3F)OCCO4)CC2)C1 ZINC000895455987 591763768 /nfs/dbraw/zinc/76/37/68/591763768.db2.gz GDOSLVRCBIZOTM-BZUAXINKSA-N 2 2 328.428 1.151 20 0 EDADLP O[C@@H]1CC[N@H+](C2CC[NH+]([C@@H]3CCC4(C[C@H]3F)OCCO4)CC2)C1 ZINC000895455987 591763771 /nfs/dbraw/zinc/76/37/71/591763771.db2.gz GDOSLVRCBIZOTM-BZUAXINKSA-N 2 2 328.428 1.151 20 0 EDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000895482504 591777630 /nfs/dbraw/zinc/77/76/30/591777630.db2.gz IHJLVUDEIMBGHV-IBGZPJMESA-N 2 2 343.471 1.360 20 0 EDADLP O=C1COc2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCOCC3)cc2N1 ZINC000897228805 591778588 /nfs/dbraw/zinc/77/85/88/591778588.db2.gz OVEFVAUEILLJCC-HNNXBMFYSA-N 2 2 331.416 1.360 20 0 EDADLP c1cc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)nc(N2CCOCC2)[nH+]1 ZINC000895565821 591807425 /nfs/dbraw/zinc/80/74/25/591807425.db2.gz DEXJLIQPGLWJBM-KGLIPLIRSA-N 2 2 335.477 1.305 20 0 EDADLP c1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)nc(N2CCOCC2)[nH+]1 ZINC000895565821 591807426 /nfs/dbraw/zinc/80/74/26/591807426.db2.gz DEXJLIQPGLWJBM-KGLIPLIRSA-N 2 2 335.477 1.305 20 0 EDADLP Cc1cn2ccc(C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C3(C)C)cc2[nH+]1 ZINC000898207743 591818113 /nfs/dbraw/zinc/81/81/13/591818113.db2.gz QRIJUZTUDLRTEN-HZPDHXFCSA-N 2 2 342.443 1.872 20 0 EDADLP C/C(=C/C(=O)NCc1ccccc1C[NH+](C)C)C[NH+]1CCOCC1 ZINC000899990697 591859736 /nfs/dbraw/zinc/85/97/36/591859736.db2.gz PVIOALAAPYESSE-VBKFSLOCSA-N 2 2 331.460 1.643 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC000897355211 591894150 /nfs/dbraw/zinc/89/41/50/591894150.db2.gz IRQXBXGDWFNSLX-CTYIDZIISA-N 2 2 327.469 1.336 20 0 EDADLP COc1cn(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c(C)cc1=O ZINC000902186413 591935502 /nfs/dbraw/zinc/93/55/02/591935502.db2.gz TVAMQHAHVLZKGG-UHFFFAOYSA-N 2 2 328.416 1.648 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197365 591943035 /nfs/dbraw/zinc/94/30/35/591943035.db2.gz WALADONNCPHWJP-VRCAPQLRSA-N 2 2 343.471 1.557 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197365 591943037 /nfs/dbraw/zinc/94/30/37/591943037.db2.gz WALADONNCPHWJP-VRCAPQLRSA-N 2 2 343.471 1.557 20 0 EDADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197365 591943040 /nfs/dbraw/zinc/94/30/40/591943040.db2.gz WALADONNCPHWJP-VRCAPQLRSA-N 2 2 343.471 1.557 20 0 EDADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197365 591943042 /nfs/dbraw/zinc/94/30/42/591943042.db2.gz WALADONNCPHWJP-VRCAPQLRSA-N 2 2 343.471 1.557 20 0 EDADLP COCC[C@@H]1CCN(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000902197292 591943147 /nfs/dbraw/zinc/94/31/47/591943147.db2.gz TYARZSJVZLPPMH-XYJFISCASA-N 2 2 335.492 1.778 20 0 EDADLP COCC[C@@H]1CCN(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000902197292 591943151 /nfs/dbraw/zinc/94/31/51/591943151.db2.gz TYARZSJVZLPPMH-XYJFISCASA-N 2 2 335.492 1.778 20 0 EDADLP COCC[C@@H]1CCN(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000902197292 591943159 /nfs/dbraw/zinc/94/31/59/591943159.db2.gz TYARZSJVZLPPMH-XYJFISCASA-N 2 2 335.492 1.778 20 0 EDADLP CC[NH+]1CCC(NC(=O)COc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000902263410 591956372 /nfs/dbraw/zinc/95/63/72/591956372.db2.gz BZTAFJPBAVZAGK-UHFFFAOYSA-N 2 2 328.416 1.852 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000900279107 591969042 /nfs/dbraw/zinc/96/90/42/591969042.db2.gz QKEHDEIIDWFDJR-UHFFFAOYSA-N 2 2 336.524 1.347 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC(N4CCCC4=O)C3)c2cc1C ZINC000899909376 591976277 /nfs/dbraw/zinc/97/62/77/591976277.db2.gz AXKVXEGJTGTUFD-MRXNPFEDSA-N 2 2 342.443 1.321 20 0 EDADLP C[C@@H]([NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1)C1([NH3+])CC1 ZINC000902353220 591985424 /nfs/dbraw/zinc/98/54/24/591985424.db2.gz XLOIVNQHLUBWBZ-GDBMZVCRSA-N 2 2 347.459 1.330 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)C1([NH3+])CC1 ZINC000902385642 591989541 /nfs/dbraw/zinc/98/95/41/591989541.db2.gz XNNLATMCRAMHAO-SGTLLEGYSA-N 2 2 342.443 1.881 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902499819 592003246 /nfs/dbraw/zinc/00/32/46/592003246.db2.gz KSQDYOKGDDDYOO-RRIFGTCXSA-N 3 2 331.460 1.599 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cn(C)nn1 ZINC000902765959 592058929 /nfs/dbraw/zinc/05/89/29/592058929.db2.gz CZIIQZKYKNTBNN-OAHLLOKOSA-N 2 2 345.447 1.377 20 0 EDADLP CNc1nc(C)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668369 592086141 /nfs/dbraw/zinc/08/61/41/592086141.db2.gz AJVDUOIHJSQFMT-INIZCTEOSA-N 2 2 345.491 1.672 20 0 EDADLP CNc1nc(C)ccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668369 592086143 /nfs/dbraw/zinc/08/61/43/592086143.db2.gz AJVDUOIHJSQFMT-INIZCTEOSA-N 2 2 345.491 1.672 20 0 EDADLP C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903078676 592116705 /nfs/dbraw/zinc/11/67/05/592116705.db2.gz AQBSQEWNSJLFLB-ZDUSSCGKSA-N 2 2 336.461 1.838 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903085510 592117691 /nfs/dbraw/zinc/11/76/91/592117691.db2.gz DHTCEPURGGHMIZ-ZCTYVAAUSA-N 3 2 348.535 1.677 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C1CC1 ZINC000903085510 592117693 /nfs/dbraw/zinc/11/76/93/592117693.db2.gz DHTCEPURGGHMIZ-ZCTYVAAUSA-N 3 2 348.535 1.677 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903085510 592117696 /nfs/dbraw/zinc/11/76/96/592117696.db2.gz DHTCEPURGGHMIZ-ZCTYVAAUSA-N 3 2 348.535 1.677 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[NH+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903085510 592117698 /nfs/dbraw/zinc/11/76/98/592117698.db2.gz DHTCEPURGGHMIZ-ZCTYVAAUSA-N 3 2 348.535 1.677 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000900788036 592123800 /nfs/dbraw/zinc/12/38/00/592123800.db2.gz TVQZGDPKAQKNRG-HZPDHXFCSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000900788036 592123801 /nfs/dbraw/zinc/12/38/01/592123801.db2.gz TVQZGDPKAQKNRG-HZPDHXFCSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000900788036 592123802 /nfs/dbraw/zinc/12/38/02/592123802.db2.gz TVQZGDPKAQKNRG-HZPDHXFCSA-N 2 2 339.480 1.060 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000900788036 592123803 /nfs/dbraw/zinc/12/38/03/592123803.db2.gz TVQZGDPKAQKNRG-HZPDHXFCSA-N 2 2 339.480 1.060 20 0 EDADLP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000900787770 592123815 /nfs/dbraw/zinc/12/38/15/592123815.db2.gz RWHSTROEMLQVHI-KRWDZBQOSA-N 2 2 335.496 1.442 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000900787770 592123816 /nfs/dbraw/zinc/12/38/16/592123816.db2.gz RWHSTROEMLQVHI-KRWDZBQOSA-N 2 2 335.496 1.442 20 0 EDADLP OC1(C2(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)CC2)CCOCC1 ZINC000903350217 592157680 /nfs/dbraw/zinc/15/76/80/592157680.db2.gz STMFMYBYIUWYCZ-UHFFFAOYSA-N 2 2 345.487 1.957 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@@H]3C[NH2+]C[C@H]3C)C2=O)c1 ZINC000903439029 592170145 /nfs/dbraw/zinc/17/01/45/592170145.db2.gz BPBFZFPUSXQCJW-QWQRMKEZSA-N 2 2 347.459 1.596 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)C[C@@H]3C[NH2+]C[C@H]3C)C2=O)c1 ZINC000903439029 592170146 /nfs/dbraw/zinc/17/01/46/592170146.db2.gz BPBFZFPUSXQCJW-QWQRMKEZSA-N 2 2 347.459 1.596 20 0 EDADLP COCCOc1cccc(CNC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903469642 592175055 /nfs/dbraw/zinc/17/50/55/592175055.db2.gz WLFGQWYNBSLXPA-QGZVFWFLSA-N 2 2 347.459 1.202 20 0 EDADLP COc1ccc(OC)c([C@@H](C)NC(=O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903469995 592175263 /nfs/dbraw/zinc/17/52/63/592175263.db2.gz YZZZHVIERHDNIQ-CXAGYDPISA-N 2 2 347.459 1.755 20 0 EDADLP C[C@H]1CCN(C(=O)c2ccnn2CC[NH+](C)C)C[C@H]1n1cc[nH+]c1 ZINC000901039731 592207561 /nfs/dbraw/zinc/20/75/61/592207561.db2.gz HSUWEYKSERBFTP-GOEBONIOSA-N 2 2 330.436 1.365 20 0 EDADLP C[NH2+]CC[N@H+](CCOCCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000903575043 592226689 /nfs/dbraw/zinc/22/66/89/592226689.db2.gz DHBMKJRKJAFMMD-UHFFFAOYSA-N 2 2 333.432 1.229 20 0 EDADLP C[NH2+]CC[N@@H+](CCOCCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000903575043 592226692 /nfs/dbraw/zinc/22/66/92/592226692.db2.gz DHBMKJRKJAFMMD-UHFFFAOYSA-N 2 2 333.432 1.229 20 0 EDADLP [NH3+]CC[NH+]1CCC(Nc2cccc(-c3nnnn3C3CC3)c2)CC1 ZINC000904359656 592237731 /nfs/dbraw/zinc/23/77/31/592237731.db2.gz RLDJQHJJJKYMDW-UHFFFAOYSA-N 2 2 327.436 1.510 20 0 EDADLP CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906656489 592239396 /nfs/dbraw/zinc/23/93/96/592239396.db2.gz SPWWWPPDGSXHRR-KSZLIROESA-N 2 2 335.492 1.428 20 0 EDADLP CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906656489 592239399 /nfs/dbraw/zinc/23/93/99/592239399.db2.gz SPWWWPPDGSXHRR-KSZLIROESA-N 2 2 335.492 1.428 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000907989240 592250667 /nfs/dbraw/zinc/25/06/67/592250667.db2.gz HWPZQGJJMKIXNH-HNNXBMFYSA-N 2 2 332.448 1.759 20 0 EDADLP CSCC[C@H]([NH3+])Cc1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000904613864 592296245 /nfs/dbraw/zinc/29/62/45/592296245.db2.gz BMUPHLSGQREDAP-NSHDSACASA-N 2 2 330.417 1.940 20 0 EDADLP Cn1c[nH+]c([C@@H]2CN(C[C@@H]3CCC[C@H](C(F)(F)F)O3)C[C@H]2[NH3+])c1 ZINC000903780520 592320246 /nfs/dbraw/zinc/32/02/46/592320246.db2.gz HZPJODCSTKYOLL-FMCLSXCISA-N 2 2 332.370 1.647 20 0 EDADLP C[NH+]1CCN(Cc2ccccc2-c2c[nH+]c3n2C[C@H]([NH3+])CC3)CC1 ZINC000904804627 592328707 /nfs/dbraw/zinc/32/87/07/592328707.db2.gz DWYOFGBBPSADOQ-MRXNPFEDSA-N 3 2 325.460 1.571 20 0 EDADLP Cc1cc(=O)n2nc(C[N@@H+]3CCCC[C@@H]3C3(C[NH3+])CCC3)sc2n1 ZINC000903812945 592330603 /nfs/dbraw/zinc/33/06/03/592330603.db2.gz BREHHFXGQOPFFV-CYBMUJFWSA-N 2 2 347.488 1.943 20 0 EDADLP Cc1cc(=O)n2nc(C[N@H+]3CCCC[C@@H]3C3(C[NH3+])CCC3)sc2n1 ZINC000903812945 592330605 /nfs/dbraw/zinc/33/06/05/592330605.db2.gz BREHHFXGQOPFFV-CYBMUJFWSA-N 2 2 347.488 1.943 20 0 EDADLP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813942 592331782 /nfs/dbraw/zinc/33/17/82/592331782.db2.gz DGLRQNBEFRICQK-UHFFFAOYSA-N 2 2 344.459 1.977 20 0 EDADLP O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903813942 592331784 /nfs/dbraw/zinc/33/17/84/592331784.db2.gz DGLRQNBEFRICQK-UHFFFAOYSA-N 2 2 344.459 1.977 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@H](C)C1 ZINC000901320522 592339396 /nfs/dbraw/zinc/33/93/96/592339396.db2.gz DGRMROUGITZJKA-OAGGEKHMSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@H](C)C1 ZINC000901320522 592339400 /nfs/dbraw/zinc/33/94/00/592339400.db2.gz DGRMROUGITZJKA-OAGGEKHMSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)[C@H](C)C1 ZINC000901320522 592339406 /nfs/dbraw/zinc/33/94/06/592339406.db2.gz DGRMROUGITZJKA-OAGGEKHMSA-N 2 2 337.464 1.099 20 0 EDADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)[C@H](C)C1 ZINC000901320522 592339410 /nfs/dbraw/zinc/33/94/10/592339410.db2.gz DGRMROUGITZJKA-OAGGEKHMSA-N 2 2 337.464 1.099 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1nc(-c3ccc4c(c3)OCO4)no1)C2 ZINC000903844951 592343738 /nfs/dbraw/zinc/34/37/38/592343738.db2.gz CTCNIIMNZDRVIE-DRZSPHRISA-N 2 2 328.372 1.777 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nc(-c3ccc4c(c3)OCO4)no1)C2 ZINC000903844951 592343742 /nfs/dbraw/zinc/34/37/42/592343742.db2.gz CTCNIIMNZDRVIE-DRZSPHRISA-N 2 2 328.372 1.777 20 0 EDADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000903877748 592358593 /nfs/dbraw/zinc/35/85/93/592358593.db2.gz PJWBKDOVMCGWAP-HNNXBMFYSA-N 2 2 325.403 1.997 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cnn1C ZINC000903878341 592359141 /nfs/dbraw/zinc/35/91/41/592359141.db2.gz GPVJVTGYJORCRU-QFBILLFUSA-N 2 2 328.460 1.919 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccccc3)C2)cnn1C ZINC000903878341 592359146 /nfs/dbraw/zinc/35/91/46/592359146.db2.gz GPVJVTGYJORCRU-QFBILLFUSA-N 2 2 328.460 1.919 20 0 EDADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000903878700 592359223 /nfs/dbraw/zinc/35/92/23/592359223.db2.gz WPUKDSUSFOPVEZ-ZBFHGGJFSA-N 2 2 343.431 1.474 20 0 EDADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000903878700 592359228 /nfs/dbraw/zinc/35/92/28/592359228.db2.gz WPUKDSUSFOPVEZ-ZBFHGGJFSA-N 2 2 343.431 1.474 20 0 EDADLP O[C@H]([C@H]1CCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000903892348 592363259 /nfs/dbraw/zinc/36/32/59/592363259.db2.gz HSAKCCFXIXTEGF-RAIGVLPGSA-N 2 2 333.358 1.090 20 0 EDADLP O[C@H]([C@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000903892348 592363261 /nfs/dbraw/zinc/36/32/61/592363261.db2.gz HSAKCCFXIXTEGF-RAIGVLPGSA-N 2 2 333.358 1.090 20 0 EDADLP CC(C)CC(=O)N1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903937413 592387572 /nfs/dbraw/zinc/38/75/72/592387572.db2.gz KMDSKKNISDVVBT-MRXNPFEDSA-N 2 2 348.495 1.283 20 0 EDADLP CC(C)CC(=O)N1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903937413 592387578 /nfs/dbraw/zinc/38/75/78/592387578.db2.gz KMDSKKNISDVVBT-MRXNPFEDSA-N 2 2 348.495 1.283 20 0 EDADLP CCn1cc([C@@H]2C[N@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)CCO2)cn1 ZINC000903916144 592388599 /nfs/dbraw/zinc/38/85/99/592388599.db2.gz QUJPUWUUNREQNF-QAPCUYQASA-N 2 2 346.479 1.136 20 0 EDADLP CCn1cc([C@@H]2C[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)CCO2)cn1 ZINC000903916144 592388601 /nfs/dbraw/zinc/38/86/01/592388601.db2.gz QUJPUWUUNREQNF-QAPCUYQASA-N 2 2 346.479 1.136 20 0 EDADLP CN1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)C1=O ZINC000901730853 592447327 /nfs/dbraw/zinc/44/73/27/592447327.db2.gz XZZALXFKDPOSOK-ZJUUUORDSA-N 2 2 327.226 1.171 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)C1(O)CCOCC1)[NH+](C)C ZINC000905229273 592458370 /nfs/dbraw/zinc/45/83/70/592458370.db2.gz LUIMPGKHZYBBEU-SZMVWBNQSA-N 2 2 336.476 1.478 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(O)CCCC1 ZINC000905235152 592483101 /nfs/dbraw/zinc/48/31/01/592483101.db2.gz XIWBFIASNWGPDD-OALUTQOASA-N 2 2 348.487 1.533 20 0 EDADLP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(O)CCCC1 ZINC000905235152 592483104 /nfs/dbraw/zinc/48/31/04/592483104.db2.gz XIWBFIASNWGPDD-OALUTQOASA-N 2 2 348.487 1.533 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000908443363 592497216 /nfs/dbraw/zinc/49/72/16/592497216.db2.gz OTPXMUSJRCQJLH-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000908443363 592497218 /nfs/dbraw/zinc/49/72/18/592497218.db2.gz OTPXMUSJRCQJLH-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000908443363 592497220 /nfs/dbraw/zinc/49/72/20/592497220.db2.gz OTPXMUSJRCQJLH-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[C@H]1C[NH+](C)CCN1C(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000908443363 592497223 /nfs/dbraw/zinc/49/72/23/592497223.db2.gz OTPXMUSJRCQJLH-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[C@](O)(C[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000905344482 592500807 /nfs/dbraw/zinc/50/08/07/592500807.db2.gz JGPNRDWLFXYIEN-HOTGVXAUSA-N 2 2 346.393 1.699 20 0 EDADLP COC(=O)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000907123233 592520599 /nfs/dbraw/zinc/52/05/99/592520599.db2.gz IVZZERZAEWAEJW-HOTGVXAUSA-N 2 2 339.480 1.345 20 0 EDADLP COC(=O)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000907123233 592520602 /nfs/dbraw/zinc/52/06/02/592520602.db2.gz IVZZERZAEWAEJW-HOTGVXAUSA-N 2 2 339.480 1.345 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3C[C@@H](C)[NH+](C)C[C@H]3C)co2)C1 ZINC000907192000 592552638 /nfs/dbraw/zinc/55/26/38/592552638.db2.gz DVZYSQQXXRULBJ-MCIONIFRSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3C[C@@H](C)[NH+](C)C[C@H]3C)co2)C1 ZINC000907192000 592552642 /nfs/dbraw/zinc/55/26/42/592552642.db2.gz DVZYSQQXXRULBJ-MCIONIFRSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3C[C@@H](C)[N@H+](C)C[C@H]3C)co2)C1 ZINC000907192000 592552646 /nfs/dbraw/zinc/55/26/46/592552646.db2.gz DVZYSQQXXRULBJ-MCIONIFRSA-N 2 2 336.436 1.060 20 0 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EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C(=O)[C@]4(CCCO4)[C@H]3C3CC3)CC[C@@H]21 ZINC000840025814 593389017 /nfs/dbraw/zinc/38/90/17/593389017.db2.gz DUQYYKSYAAWVJK-NTDBWNAOSA-N 2 2 333.476 1.530 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C(=O)[C@]4(CCCO4)[C@H]3C3CC3)CC[C@@H]21 ZINC000840025814 593389019 /nfs/dbraw/zinc/38/90/19/593389019.db2.gz DUQYYKSYAAWVJK-NTDBWNAOSA-N 2 2 333.476 1.530 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C(=O)[C@]4(CCCO4)[C@H]3C3CC3)CC[C@@H]21 ZINC000840025814 593389020 /nfs/dbraw/zinc/38/90/20/593389020.db2.gz DUQYYKSYAAWVJK-NTDBWNAOSA-N 2 2 333.476 1.530 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3CCN(Cc4cccnc4)C3=O)CC[C@H]21 ZINC000840030250 593394575 /nfs/dbraw/zinc/39/45/75/593394575.db2.gz YBZUKSVNXNVUPI-ZWKOTPCHSA-N 2 2 343.475 1.693 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CN3CCN(Cc4cccnc4)C3=O)CC[C@H]21 ZINC000840030250 593394578 /nfs/dbraw/zinc/39/45/78/593394578.db2.gz YBZUKSVNXNVUPI-ZWKOTPCHSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CN3CCN(Cc4cccnc4)C3=O)CC[C@H]21 ZINC000840030250 593394581 /nfs/dbraw/zinc/39/45/81/593394581.db2.gz YBZUKSVNXNVUPI-ZWKOTPCHSA-N 2 2 343.475 1.693 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3CCN(Cc4cccnc4)C3=O)CC[C@H]21 ZINC000840030250 593394585 /nfs/dbraw/zinc/39/45/85/593394585.db2.gz YBZUKSVNXNVUPI-ZWKOTPCHSA-N 2 2 343.475 1.693 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@@H]21 ZINC000758242829 593397912 /nfs/dbraw/zinc/39/79/12/593397912.db2.gz YFUYEHGORJUOFQ-UWVAXJGDSA-N 2 2 342.487 1.945 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@@H]21 ZINC000758242829 593397916 /nfs/dbraw/zinc/39/79/16/593397916.db2.gz YFUYEHGORJUOFQ-UWVAXJGDSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@@H]21 ZINC000758242829 593397919 /nfs/dbraw/zinc/39/79/19/593397919.db2.gz YFUYEHGORJUOFQ-UWVAXJGDSA-N 2 2 342.487 1.945 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C[C@@](C)(c4ccccn4)CC3=O)CC[C@@H]21 ZINC000758242829 593397922 /nfs/dbraw/zinc/39/79/22/593397922.db2.gz YFUYEHGORJUOFQ-UWVAXJGDSA-N 2 2 342.487 1.945 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000758238623 593398165 /nfs/dbraw/zinc/39/81/65/593398165.db2.gz WBRAFMPAUCXSRU-DHSIGJKJSA-N 2 2 345.447 1.834 20 0 EDADLP CC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000758238623 593398167 /nfs/dbraw/zinc/39/81/67/593398167.db2.gz WBRAFMPAUCXSRU-DHSIGJKJSA-N 2 2 345.447 1.834 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2C(=O)C(C)(C)[C@@H]2[C@H]2CCCO2)C1 ZINC000811760513 593479706 /nfs/dbraw/zinc/47/97/06/593479706.db2.gz MHXZOHANDRGXES-KFWWJZLASA-N 2 2 332.448 1.583 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2C(=O)C(C)(C)[C@@H]2[C@H]2CCCO2)C1 ZINC000811760513 593479707 /nfs/dbraw/zinc/47/97/07/593479707.db2.gz MHXZOHANDRGXES-KFWWJZLASA-N 2 2 332.448 1.583 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000811855374 593484223 /nfs/dbraw/zinc/48/42/23/593484223.db2.gz ZXADLJNBOUMVBL-CQSZACIVSA-N 2 2 330.436 1.795 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000811855374 593484224 /nfs/dbraw/zinc/48/42/24/593484224.db2.gz ZXADLJNBOUMVBL-CQSZACIVSA-N 2 2 330.436 1.795 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)COCc1cccs1 ZINC000818951701 593730019 /nfs/dbraw/zinc/73/00/19/593730019.db2.gz NUEDOJBQOSJPDG-HNNXBMFYSA-N 2 2 344.440 1.996 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819045869 593735433 /nfs/dbraw/zinc/73/54/33/593735433.db2.gz JSHKMLRSTNVVSB-MRXNPFEDSA-N 2 2 341.402 1.140 20 0 EDADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819079050 593737663 /nfs/dbraw/zinc/73/76/63/593737663.db2.gz QIUYGJHUQDOLCP-DOTOQJQBSA-N 2 2 340.489 1.588 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000820284611 593806156 /nfs/dbraw/zinc/80/61/56/593806156.db2.gz YPOXYNGWNUSSOF-ZDUSSCGKSA-N 2 2 335.477 1.642 20 0 EDADLP CC1CC[NH+](CCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820721787 593871910 /nfs/dbraw/zinc/87/19/10/593871910.db2.gz BCUAZLYBGUUNSL-UHFFFAOYSA-N 2 2 337.431 1.981 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cnnn1C ZINC000820809101 593895117 /nfs/dbraw/zinc/89/51/17/593895117.db2.gz UCTSWNGPKLWZIT-LSDHHAIUSA-N 2 2 329.448 1.887 20 0 EDADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cnnn1C ZINC000820809101 593895118 /nfs/dbraw/zinc/89/51/18/593895118.db2.gz UCTSWNGPKLWZIT-LSDHHAIUSA-N 2 2 329.448 1.887 20 0 EDADLP c1ccc(C[N@@H+]2CCO[C@H](c3noc(C[C@@H]4COCC[NH2+]4)n3)C2)cc1 ZINC000822950887 594127265 /nfs/dbraw/zinc/12/72/65/594127265.db2.gz FBKBDXGNMIEDCE-CVEARBPZSA-N 2 2 344.415 1.174 20 0 EDADLP c1ccc(C[N@H+]2CCO[C@H](c3noc(C[C@@H]4COCC[NH2+]4)n3)C2)cc1 ZINC000822950887 594127266 /nfs/dbraw/zinc/12/72/66/594127266.db2.gz FBKBDXGNMIEDCE-CVEARBPZSA-N 2 2 344.415 1.174 20 0 EDADLP CO[C@H](C[NH3+])Cc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000822951412 594127808 /nfs/dbraw/zinc/12/78/08/594127808.db2.gz SBVPIWHMQCEVQW-LSDHHAIUSA-N 2 2 332.404 1.159 20 0 EDADLP CO[C@H](C[NH3+])Cc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000822951412 594127810 /nfs/dbraw/zinc/12/78/10/594127810.db2.gz SBVPIWHMQCEVQW-LSDHHAIUSA-N 2 2 332.404 1.159 20 0 EDADLP C[C@@H](NCC[NH+]1CCC(O)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000825111560 594131474 /nfs/dbraw/zinc/13/14/74/594131474.db2.gz OJWPWDVSCXUGHB-XLIONFOSSA-N 2 2 347.503 1.322 20 0 EDADLP CN(C)c1nc(N2CCN(c3[nH+]ccn3C)CC2)[nH+]c2ccccc21 ZINC000827650298 594251558 /nfs/dbraw/zinc/25/15/58/594251558.db2.gz VWPZDOZXMHWLAT-UHFFFAOYSA-N 2 2 337.431 1.756 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825901192 594273400 /nfs/dbraw/zinc/27/34/00/594273400.db2.gz DJJQZSCSNKTCED-HNNXBMFYSA-N 2 2 327.436 1.425 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825901192 594273402 /nfs/dbraw/zinc/27/34/02/594273402.db2.gz DJJQZSCSNKTCED-HNNXBMFYSA-N 2 2 327.436 1.425 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825901192 594273404 /nfs/dbraw/zinc/27/34/04/594273404.db2.gz DJJQZSCSNKTCED-HNNXBMFYSA-N 2 2 327.436 1.425 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825901192 594273405 /nfs/dbraw/zinc/27/34/05/594273405.db2.gz DJJQZSCSNKTCED-HNNXBMFYSA-N 2 2 327.436 1.425 20 0 EDADLP C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)CCCn1cc[nH+]c1 ZINC000825923087 594280697 /nfs/dbraw/zinc/28/06/97/594280697.db2.gz BNJWQMVOOMBYKR-UHFFFAOYSA-N 2 2 341.419 1.854 20 0 EDADLP C[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)CCCn1cc[nH+]c1 ZINC000825923087 594280698 /nfs/dbraw/zinc/28/06/98/594280698.db2.gz BNJWQMVOOMBYKR-UHFFFAOYSA-N 2 2 341.419 1.854 20 0 EDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC000826029547 594310330 /nfs/dbraw/zinc/31/03/30/594310330.db2.gz SYIYJDRJPIVSGG-CYBMUJFWSA-N 2 2 347.492 1.140 20 0 EDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC000826029547 594310331 /nfs/dbraw/zinc/31/03/31/594310331.db2.gz SYIYJDRJPIVSGG-CYBMUJFWSA-N 2 2 347.492 1.140 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000827963416 594311565 /nfs/dbraw/zinc/31/15/65/594311565.db2.gz KRUNZEVZHILFFE-NWDGAFQWSA-N 2 2 342.875 1.601 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(N)nc(Cl)n2)C1 ZINC000827963416 594311567 /nfs/dbraw/zinc/31/15/67/594311567.db2.gz KRUNZEVZHILFFE-NWDGAFQWSA-N 2 2 342.875 1.601 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000826182673 594366341 /nfs/dbraw/zinc/36/63/41/594366341.db2.gz QRTIPMXCZMTGDU-GOEBONIOSA-N 2 2 342.447 1.791 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000826182673 594366344 /nfs/dbraw/zinc/36/63/44/594366344.db2.gz QRTIPMXCZMTGDU-GOEBONIOSA-N 2 2 342.447 1.791 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000826182673 594366347 /nfs/dbraw/zinc/36/63/47/594366347.db2.gz QRTIPMXCZMTGDU-GOEBONIOSA-N 2 2 342.447 1.791 20 0 EDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000826182673 594366349 /nfs/dbraw/zinc/36/63/49/594366349.db2.gz QRTIPMXCZMTGDU-GOEBONIOSA-N 2 2 342.447 1.791 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)c1 ZINC000826310827 594418640 /nfs/dbraw/zinc/41/86/40/594418640.db2.gz JMDJSLFHMRVRGX-UHFFFAOYSA-N 2 2 341.444 1.954 20 0 EDADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000830548407 594420039 /nfs/dbraw/zinc/42/00/39/594420039.db2.gz CIBDNHGKFMKBQA-RDTXWAMCSA-N 2 2 330.476 1.836 20 0 EDADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000830548407 594420040 /nfs/dbraw/zinc/42/00/40/594420040.db2.gz CIBDNHGKFMKBQA-RDTXWAMCSA-N 2 2 330.476 1.836 20 0 EDADLP Cc1ccc(N2CC[C@H]([N@H+]3CCOC4(CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000830637170 594444679 /nfs/dbraw/zinc/44/46/79/594444679.db2.gz JCCXDCFRCYNVKD-SFHVURJKSA-N 2 2 343.471 1.897 20 0 EDADLP Cc1ccc(N2CC[C@H]([N@@H+]3CCOC4(CC[NH+](C)CC4)C3)C2=O)cc1 ZINC000830637170 594444681 /nfs/dbraw/zinc/44/46/81/594444681.db2.gz JCCXDCFRCYNVKD-SFHVURJKSA-N 2 2 343.471 1.897 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC000826596980 594535436 /nfs/dbraw/zinc/53/54/36/594535436.db2.gz IOYJMONDPDKTNO-MOPGFXCFSA-N 2 2 347.503 1.898 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC000826596980 594535437 /nfs/dbraw/zinc/53/54/37/594535437.db2.gz IOYJMONDPDKTNO-MOPGFXCFSA-N 2 2 347.503 1.898 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826662048 594549055 /nfs/dbraw/zinc/54/90/55/594549055.db2.gz XHIOZZGCUGYBIF-KRZKXXONSA-N 2 2 335.492 1.788 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826662048 594549056 /nfs/dbraw/zinc/54/90/56/594549056.db2.gz XHIOZZGCUGYBIF-KRZKXXONSA-N 2 2 335.492 1.788 20 0 EDADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000826846002 594587587 /nfs/dbraw/zinc/58/75/87/594587587.db2.gz IVJADUUVHINEOV-UONOGXRCSA-N 2 2 343.349 1.577 20 0 EDADLP C[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CCn3cc[nH+]c32)CC1 ZINC000836221947 594939835 /nfs/dbraw/zinc/93/98/35/594939835.db2.gz RQESWMLRJSDLQA-HNNXBMFYSA-N 2 2 340.431 1.901 20 0 EDADLP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000836263704 594944856 /nfs/dbraw/zinc/94/48/56/594944856.db2.gz CQGQTWPLFLJBKM-HNNXBMFYSA-N 2 2 343.431 1.768 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000836524335 594972001 /nfs/dbraw/zinc/97/20/01/594972001.db2.gz UXSGHWGLIRWEBS-FVQBIDKESA-N 2 2 329.448 1.986 20 0 EDADLP O=C(N[C@@H]1CCn2cc[nH+]c21)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000836524335 594972002 /nfs/dbraw/zinc/97/20/02/594972002.db2.gz UXSGHWGLIRWEBS-FVQBIDKESA-N 2 2 329.448 1.986 20 0 EDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000843085996 595283321 /nfs/dbraw/zinc/28/33/21/595283321.db2.gz FFWLECNYIZXXAS-CZUORRHYSA-N 2 2 330.831 1.949 20 0 EDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000843085996 595283322 /nfs/dbraw/zinc/28/33/22/595283322.db2.gz FFWLECNYIZXXAS-CZUORRHYSA-N 2 2 330.831 1.949 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844165595 595288883 /nfs/dbraw/zinc/28/88/83/595288883.db2.gz KSLMWRMYGZCWPL-OAHLLOKOSA-N 2 2 330.432 1.620 20 0 EDADLP C[NH+]1CCC(ONC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000846650289 595293087 /nfs/dbraw/zinc/29/30/87/595293087.db2.gz NYRJXYQBXSXKBK-UHFFFAOYSA-N 2 2 328.416 1.616 20 0 EDADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(N2CCCC2=O)cc1 ZINC000846668810 595296715 /nfs/dbraw/zinc/29/67/15/595296715.db2.gz NZDFXUPSMWYWAZ-CJNGLKHVSA-N 2 2 332.448 1.270 20 0 EDADLP CCCCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000846669023 595296791 /nfs/dbraw/zinc/29/67/91/595296791.db2.gz DWPQGPSKYPGPEZ-HZPDHXFCSA-N 2 2 340.512 1.201 20 0 EDADLP CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846669644 595297239 /nfs/dbraw/zinc/29/72/39/595297239.db2.gz QQCZVUCGEZOWNW-ZDUSSCGKSA-N 2 2 340.855 1.696 20 0 EDADLP CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846670559 595297333 /nfs/dbraw/zinc/29/73/33/595297333.db2.gz FLMOZPFRKFEDKZ-IRXDYDNUSA-N 2 2 339.455 1.623 20 0 EDADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCc1[nH+]ccn1CCc1ccccc1 ZINC000844189970 595297790 /nfs/dbraw/zinc/29/77/90/595297790.db2.gz YRUYALZMENUQJC-QGZVFWFLSA-N 2 2 342.443 1.511 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000846673108 595298177 /nfs/dbraw/zinc/29/81/77/595298177.db2.gz NTJXXGRLRXRUTH-VBQJREDUSA-N 2 2 334.464 1.518 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000844224088 595308148 /nfs/dbraw/zinc/30/81/48/595308148.db2.gz FSBQTPDKHNNQDU-HUUCEWRRSA-N 2 2 345.491 1.679 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000844224088 595308149 /nfs/dbraw/zinc/30/81/49/595308149.db2.gz FSBQTPDKHNNQDU-HUUCEWRRSA-N 2 2 345.491 1.679 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844226876 595309876 /nfs/dbraw/zinc/30/98/76/595309876.db2.gz RPNLJYQMTBNURK-YOEHRIQHSA-N 2 2 332.448 1.273 20 0 EDADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844226876 595309879 /nfs/dbraw/zinc/30/98/79/595309879.db2.gz RPNLJYQMTBNURK-YOEHRIQHSA-N 2 2 332.448 1.273 20 0 EDADLP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178736 595372127 /nfs/dbraw/zinc/37/21/27/595372127.db2.gz SQZRJTBLUMCQML-BSXFFOKHSA-N 2 2 343.487 1.813 20 0 EDADLP C[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178736 595372130 /nfs/dbraw/zinc/37/21/30/595372130.db2.gz SQZRJTBLUMCQML-BSXFFOKHSA-N 2 2 343.487 1.813 20 0 EDADLP C[C@H](CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000847178736 595372136 /nfs/dbraw/zinc/37/21/36/595372136.db2.gz SQZRJTBLUMCQML-BSXFFOKHSA-N 2 2 343.487 1.813 20 0 EDADLP C/C(=C\c1ccncc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847486378 595432141 /nfs/dbraw/zinc/43/21/41/595432141.db2.gz UNBKKNFAVUNFKZ-VOGRQWBCSA-N 2 2 328.460 1.770 20 0 EDADLP C/C(=C\c1ccncc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847486378 595432142 /nfs/dbraw/zinc/43/21/42/595432142.db2.gz UNBKKNFAVUNFKZ-VOGRQWBCSA-N 2 2 328.460 1.770 20 0 EDADLP CC[C@H](C)NC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000849014953 595474978 /nfs/dbraw/zinc/47/49/78/595474978.db2.gz UVVOEIFYYBRFSZ-HNNXBMFYSA-N 2 2 334.464 1.810 20 0 EDADLP [NH3+]C[C@H]1CC(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)=NO1 ZINC000852882832 595596708 /nfs/dbraw/zinc/59/67/08/595596708.db2.gz BNZGLHWBJXLARM-CYBMUJFWSA-N 2 2 336.823 1.088 20 0 EDADLP NC(=O)COc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000857784452 595611582 /nfs/dbraw/zinc/61/15/82/595611582.db2.gz GUSVWEKFNPBIFS-UHFFFAOYSA-N 2 2 341.402 1.617 20 0 EDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccccn1 ZINC000853109651 595667147 /nfs/dbraw/zinc/66/71/47/595667147.db2.gz PGGJHPZIYLUVCT-NSHGMRRFSA-N 2 2 341.455 1.588 20 0 EDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccccn1 ZINC000853109651 595667150 /nfs/dbraw/zinc/66/71/50/595667150.db2.gz PGGJHPZIYLUVCT-NSHGMRRFSA-N 2 2 341.455 1.588 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000855415178 595704544 /nfs/dbraw/zinc/70/45/44/595704544.db2.gz SQXOGOPHWFXYKG-UHFFFAOYSA-N 2 2 348.426 1.020 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000855415178 595704546 /nfs/dbraw/zinc/70/45/46/595704546.db2.gz SQXOGOPHWFXYKG-UHFFFAOYSA-N 2 2 348.426 1.020 20 0 EDADLP Cc1c[nH+]cn1CC(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000860535524 595718733 /nfs/dbraw/zinc/71/87/33/595718733.db2.gz OZRXQDBYVBOLEE-OAHLLOKOSA-N 2 2 329.404 1.811 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OC[C@H]1CCC[N@@H+]1CC(=O)OC(C)(C)C ZINC000860582231 595732786 /nfs/dbraw/zinc/73/27/86/595732786.db2.gz MXFSECISPZLGRC-CQSZACIVSA-N 2 2 337.420 1.541 20 0 EDADLP Cc1c[nH+]cn1CC(=O)OC[C@H]1CCC[N@H+]1CC(=O)OC(C)(C)C ZINC000860582231 595732787 /nfs/dbraw/zinc/73/27/87/595732787.db2.gz MXFSECISPZLGRC-CQSZACIVSA-N 2 2 337.420 1.541 20 0 EDADLP O=C(CCNc1cc[nH+]c(CO)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000858376849 595779334 /nfs/dbraw/zinc/77/93/34/595779334.db2.gz ROGRONWLAVCUOL-UHFFFAOYSA-N 2 2 341.415 1.120 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000852122690 596051520 /nfs/dbraw/zinc/05/15/20/596051520.db2.gz AGVFAZLSZXVMAH-MRXNPFEDSA-N 2 2 325.428 1.327 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000857075698 596152968 /nfs/dbraw/zinc/15/29/68/596152968.db2.gz GGTIPJXWPVWWMI-NUJGCVRESA-N 2 2 329.444 1.937 20 0 EDADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000857075698 596152969 /nfs/dbraw/zinc/15/29/69/596152969.db2.gz GGTIPJXWPVWWMI-NUJGCVRESA-N 2 2 329.444 1.937 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000864537146 596256595 /nfs/dbraw/zinc/25/65/95/596256595.db2.gz XQHQBZRNKAVEJX-CABCVRRESA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000864537146 596256598 /nfs/dbraw/zinc/25/65/98/596256598.db2.gz XQHQBZRNKAVEJX-CABCVRRESA-N 2 2 345.434 1.287 20 0 EDADLP CCOC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000862214168 596276391 /nfs/dbraw/zinc/27/63/91/596276391.db2.gz IPKGRIPGZZYRJQ-UHFFFAOYSA-N 2 2 326.400 1.976 20 0 EDADLP CN(C(=O)/C=C/C[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000866656075 596282602 /nfs/dbraw/zinc/28/26/02/596282602.db2.gz ITFRVZFKMWILPH-MEQKGCOVSA-N 2 2 343.471 1.608 20 0 EDADLP CN(C(=O)/C=C/C[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866656075 596282605 /nfs/dbraw/zinc/28/26/05/596282605.db2.gz ITFRVZFKMWILPH-MEQKGCOVSA-N 2 2 343.471 1.608 20 0 EDADLP CN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)Cc2ccc[nH+]c21 ZINC000868758057 596296896 /nfs/dbraw/zinc/29/68/96/596296896.db2.gz KYLZXPNLMXAHQG-OAHLLOKOSA-N 2 2 331.464 1.916 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3ccc(C=O)cc3)c2)CC1 ZINC000870664966 596314646 /nfs/dbraw/zinc/31/46/46/596314646.db2.gz GFSJQJYPFWLOEU-UHFFFAOYSA-N 2 2 338.411 1.827 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C1(C)C ZINC000870979198 596426901 /nfs/dbraw/zinc/42/69/01/596426901.db2.gz IFWBZBMIYDQBDK-FCEWJHQRSA-N 2 2 331.460 1.822 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C1(C)C ZINC000870979198 596426903 /nfs/dbraw/zinc/42/69/03/596426903.db2.gz IFWBZBMIYDQBDK-FCEWJHQRSA-N 2 2 331.460 1.822 20 0 EDADLP C[NH+]1CCN(C2CCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)CC1 ZINC000870982218 596429196 /nfs/dbraw/zinc/42/91/96/596429196.db2.gz YLBSGQKHCOLJBO-ZWKOTPCHSA-N 2 2 336.524 1.523 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864979112 596434279 /nfs/dbraw/zinc/43/42/79/596434279.db2.gz FSSRQFGEVIVEDM-HYXAFXHYSA-N 2 2 341.415 1.080 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)c1ccco1 ZINC000865028448 596449328 /nfs/dbraw/zinc/44/93/28/596449328.db2.gz MZCNYEZKVWTPJY-CDVVCGDMSA-N 2 2 335.448 1.667 20 0 EDADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)/C=C/C[NH+]1CCOCC1)[NH+](C)C ZINC000867678988 596492406 /nfs/dbraw/zinc/49/24/06/596492406.db2.gz NIRDGTNOIATLFR-XHYTXEILSA-N 2 2 345.487 1.991 20 0 EDADLP C[NH+](C)CCc1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000867681655 596494375 /nfs/dbraw/zinc/49/43/75/596494375.db2.gz KSONXNKNWMGUDQ-ONEGZZNKSA-N 2 2 331.460 1.295 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865442497 596576195 /nfs/dbraw/zinc/57/61/95/596576195.db2.gz NDOZNZZQQUDMTF-OAHLLOKOSA-N 2 2 346.431 1.566 20 0 EDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865442497 596576196 /nfs/dbraw/zinc/57/61/96/596576196.db2.gz NDOZNZZQQUDMTF-OAHLLOKOSA-N 2 2 346.431 1.566 20 0 EDADLP CCCNc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)nc[nH+]1 ZINC000865460293 596581729 /nfs/dbraw/zinc/58/17/29/596581729.db2.gz QIYSLDRIIJYNQL-MRXNPFEDSA-N 2 2 337.493 1.918 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000865471432 596584562 /nfs/dbraw/zinc/58/45/62/596584562.db2.gz RZPZOOAYKFANFA-KRWDZBQOSA-N 2 2 345.487 1.981 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000865584148 596618241 /nfs/dbraw/zinc/61/82/41/596618241.db2.gz KLVVCMSYKIQEDJ-JKSUJKDBSA-N 2 2 341.496 1.822 20 0 EDADLP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000865584148 596618243 /nfs/dbraw/zinc/61/82/43/596618243.db2.gz KLVVCMSYKIQEDJ-JKSUJKDBSA-N 2 2 341.496 1.822 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)C2)c1 ZINC000867998196 596648043 /nfs/dbraw/zinc/64/80/43/596648043.db2.gz RRUAXICBGQNDFA-ROUUACIJSA-N 2 2 349.475 1.064 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)C2)c1 ZINC000867998196 596648045 /nfs/dbraw/zinc/64/80/45/596648045.db2.gz RRUAXICBGQNDFA-ROUUACIJSA-N 2 2 349.475 1.064 20 0 EDADLP CCc1ccc([C@@H]2CN(C(=O)/C=C\C[NH+]3CCOCC3)CC[NH2+]2)cc1 ZINC000868063724 596674242 /nfs/dbraw/zinc/67/42/42/596674242.db2.gz BFNHSXIOZVSHRC-LLHWWHOWSA-N 2 2 343.471 1.610 20 0 EDADLP O=C1OC[C@]2(C[NH2+]Cc3cc(-n4cc[nH+]c4)cs3)COCCN12 ZINC000865769565 596676040 /nfs/dbraw/zinc/67/60/40/596676040.db2.gz BKNPHCOJCJGTLX-HNNXBMFYSA-N 2 2 334.401 1.245 20 0 EDADLP C[N@@H+]1CCn2nc(NC(=O)NCc3ccc(C[NH3+])cc3F)cc2C1 ZINC000868203782 596722235 /nfs/dbraw/zinc/72/22/35/596722235.db2.gz HONTVUORYJQHTF-UHFFFAOYSA-N 2 2 332.383 1.248 20 0 EDADLP C[N@H+]1CCn2nc(NC(=O)NCc3ccc(C[NH3+])cc3F)cc2C1 ZINC000868203782 596722237 /nfs/dbraw/zinc/72/22/37/596722237.db2.gz HONTVUORYJQHTF-UHFFFAOYSA-N 2 2 332.383 1.248 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH2+][C@@H](c3ccc(O)cc3)C1)CC2 ZINC000870091090 596745880 /nfs/dbraw/zinc/74/58/80/596745880.db2.gz OPMRUKQTUKZVLV-CRAIPNDOSA-N 2 2 340.427 1.633 20 0 EDADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000868281796 596762405 /nfs/dbraw/zinc/76/24/05/596762405.db2.gz PGURUGMCABXWFY-HKUYNNGSSA-N 2 2 340.427 1.568 20 0 EDADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000868281796 596762406 /nfs/dbraw/zinc/76/24/06/596762406.db2.gz PGURUGMCABXWFY-HKUYNNGSSA-N 2 2 340.427 1.568 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[NH2+]2)cc1 ZINC000870142431 596768947 /nfs/dbraw/zinc/76/89/47/596768947.db2.gz KDEYJCACCJRTCF-QAPCUYQASA-N 2 2 340.427 1.627 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000868368926 596807522 /nfs/dbraw/zinc/80/75/22/596807522.db2.gz NVTSXILAHWDQIY-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP C[NH+](C)C1(C)CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000868368926 596807527 /nfs/dbraw/zinc/80/75/27/596807527.db2.gz NVTSXILAHWDQIY-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868372369 596809294 /nfs/dbraw/zinc/80/92/94/596809294.db2.gz SZLFCMTYWMACLJ-QAPCUYQASA-N 2 2 345.491 1.108 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000868372369 596809298 /nfs/dbraw/zinc/80/92/98/596809298.db2.gz SZLFCMTYWMACLJ-QAPCUYQASA-N 2 2 345.491 1.108 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868372369 596809300 /nfs/dbraw/zinc/80/93/00/596809300.db2.gz SZLFCMTYWMACLJ-QAPCUYQASA-N 2 2 345.491 1.108 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000868372369 596809303 /nfs/dbraw/zinc/80/93/03/596809303.db2.gz SZLFCMTYWMACLJ-QAPCUYQASA-N 2 2 345.491 1.108 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CCN(C)c3[nH+]cccc3C2)C[N@@H+]1C1CC1 ZINC000868383509 596814415 /nfs/dbraw/zinc/81/44/15/596814415.db2.gz VJLZSGRYYUJSOK-ZFWWWQNUSA-N 2 2 329.448 1.668 20 0 EDADLP C[C@H]1C[C@H](NC(=O)N2CCN(C)c3[nH+]cccc3C2)C[N@H+]1C1CC1 ZINC000868383509 596814417 /nfs/dbraw/zinc/81/44/17/596814417.db2.gz VJLZSGRYYUJSOK-ZFWWWQNUSA-N 2 2 329.448 1.668 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)CC[C@@H]21 ZINC000866207750 596827602 /nfs/dbraw/zinc/82/76/02/596827602.db2.gz JPGBEKCSQNDCEP-PMPSAXMXSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)[nH+]cn3)CC[C@@H]21 ZINC000866207750 596827604 /nfs/dbraw/zinc/82/76/04/596827604.db2.gz JPGBEKCSQNDCEP-PMPSAXMXSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)nc[nH+]3)CC[C@@H]21 ZINC000866207750 596827608 /nfs/dbraw/zinc/82/76/08/596827608.db2.gz JPGBEKCSQNDCEP-PMPSAXMXSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@H]4CO)nc[nH+]3)CC[C@@H]21 ZINC000866207750 596827611 /nfs/dbraw/zinc/82/76/11/596827611.db2.gz JPGBEKCSQNDCEP-PMPSAXMXSA-N 2 2 331.464 1.358 20 0 EDADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC1(O)CCOCC1 ZINC000872200032 596832379 /nfs/dbraw/zinc/83/23/79/596832379.db2.gz VAPRSAZXJAAWHT-KRWDZBQOSA-N 2 2 331.416 1.254 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000872236201 596848247 /nfs/dbraw/zinc/84/82/47/596848247.db2.gz OOIJVNJZCOITPD-WOJBJXKFSA-N 2 2 347.503 1.242 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000872236201 596848248 /nfs/dbraw/zinc/84/82/48/596848248.db2.gz OOIJVNJZCOITPD-WOJBJXKFSA-N 2 2 347.503 1.242 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000866413585 596880346 /nfs/dbraw/zinc/88/03/46/596880346.db2.gz IUIZZBCKJOBHHK-GJZGRUSLSA-N 2 2 341.496 1.821 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000866413585 596880347 /nfs/dbraw/zinc/88/03/47/596880347.db2.gz IUIZZBCKJOBHHK-GJZGRUSLSA-N 2 2 341.496 1.821 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](CN3C(=O)C(C)(C)[C@H]3C3CC3)CC2)CC1 ZINC000872731459 597049778 /nfs/dbraw/zinc/04/97/78/597049778.db2.gz GMRHFOHABMVTDO-QGZVFWFLSA-N 2 2 334.508 1.303 20 0 EDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000874382041 597049950 /nfs/dbraw/zinc/04/99/50/597049950.db2.gz INPYQGUJVYBMKM-UHFFFAOYSA-N 3 2 345.447 1.143 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000876193422 597126820 /nfs/dbraw/zinc/12/68/20/597126820.db2.gz KZXKACFIGZNHNZ-SFHVURJKSA-N 2 2 346.475 1.153 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000876193422 597126826 /nfs/dbraw/zinc/12/68/26/597126826.db2.gz KZXKACFIGZNHNZ-SFHVURJKSA-N 2 2 346.475 1.153 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000874702685 597146322 /nfs/dbraw/zinc/14/63/22/597146322.db2.gz NEIDOSUKDQJSAS-LPHOPBHVSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000874702685 597146326 /nfs/dbraw/zinc/14/63/26/597146326.db2.gz NEIDOSUKDQJSAS-LPHOPBHVSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000874702685 597146327 /nfs/dbraw/zinc/14/63/27/597146327.db2.gz NEIDOSUKDQJSAS-LPHOPBHVSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000874702685 597146330 /nfs/dbraw/zinc/14/63/30/597146330.db2.gz NEIDOSUKDQJSAS-LPHOPBHVSA-N 2 2 345.487 1.660 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000874835795 597191941 /nfs/dbraw/zinc/19/19/41/597191941.db2.gz ALQSYUVVCXAKKZ-OALUTQOASA-N 2 2 343.471 1.828 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000874835795 597191942 /nfs/dbraw/zinc/19/19/42/597191942.db2.gz ALQSYUVVCXAKKZ-OALUTQOASA-N 2 2 343.471 1.828 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N(C)CCCCCC[NH3+])ccc2n1C ZINC000873110614 597199078 /nfs/dbraw/zinc/19/90/78/597199078.db2.gz XDQBEZRCXJIPTO-UHFFFAOYSA-N 2 2 345.447 1.798 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000876521486 597229277 /nfs/dbraw/zinc/22/92/77/597229277.db2.gz XIROTNLIDBCVRN-HNNXBMFYSA-N 2 2 342.399 1.808 20 0 EDADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000873275895 597245861 /nfs/dbraw/zinc/24/58/61/597245861.db2.gz LDLNVMSINDVJHS-RKDXNWHRSA-N 2 2 334.205 1.384 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2Cc3ccccc3C[NH2+]2)CC[NH2+]CC1 ZINC000873296620 597250050 /nfs/dbraw/zinc/25/00/50/597250050.db2.gz KAMCZZQQHJFKRO-MAUKXSAKSA-N 3 2 345.487 1.612 20 0 EDADLP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000876711406 597298946 /nfs/dbraw/zinc/29/89/46/597298946.db2.gz VUTFYEGSSMFILS-CNZFZVQHSA-N 2 2 343.471 1.765 20 0 EDADLP COC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCCC[NH2+]1 ZINC000876741161 597316695 /nfs/dbraw/zinc/31/66/95/597316695.db2.gz MZDXIRYRXAWSTH-SFHVURJKSA-N 2 2 328.416 1.647 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](F)[C@H]3CC[NH2+]C3)CC2)c1 ZINC000876755159 597323603 /nfs/dbraw/zinc/32/36/03/597323603.db2.gz RZFSDBXPFOLRTG-ZVZYQTTQSA-N 2 2 349.450 1.848 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000875238330 597346342 /nfs/dbraw/zinc/34/63/42/597346342.db2.gz IQZRJJNDSNPGJL-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000875238330 597346347 /nfs/dbraw/zinc/34/63/47/597346347.db2.gz IQZRJJNDSNPGJL-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000875238330 597346349 /nfs/dbraw/zinc/34/63/49/597346349.db2.gz IQZRJJNDSNPGJL-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000875238330 597346354 /nfs/dbraw/zinc/34/63/54/597346354.db2.gz IQZRJJNDSNPGJL-SJORKVTESA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[C@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000124633253 597352322 /nfs/dbraw/zinc/35/23/22/597352322.db2.gz HLACQBSEMOWAGR-HTUJPFKRSA-N 2 2 348.535 1.691 20 0 EDADLP CC(C)[C@H]1CC(=O)N(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000124633253 597352325 /nfs/dbraw/zinc/35/23/25/597352325.db2.gz HLACQBSEMOWAGR-HTUJPFKRSA-N 2 2 348.535 1.691 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CCC3C[NH2+]C3)C2)c1 ZINC000877248202 597478478 /nfs/dbraw/zinc/47/84/78/597478478.db2.gz HTGIJWCLQALCNX-GOSISDBHSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CCC3C[NH2+]C3)C2)c1 ZINC000877248202 597478479 /nfs/dbraw/zinc/47/84/79/597478479.db2.gz HTGIJWCLQALCNX-GOSISDBHSA-N 2 2 331.460 1.312 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)cc1 ZINC000877249222 597478924 /nfs/dbraw/zinc/47/89/24/597478924.db2.gz TYADOINMOREPBP-KRWDZBQOSA-N 2 2 331.460 1.584 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)cc1 ZINC000877249222 597478925 /nfs/dbraw/zinc/47/89/25/597478925.db2.gz TYADOINMOREPBP-KRWDZBQOSA-N 2 2 331.460 1.584 20 0 EDADLP C[N@@H+]1CCN(CCCNC(=O)C[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000873986155 597479918 /nfs/dbraw/zinc/47/99/18/597479918.db2.gz KTGLQOXLYYBCRG-LJQANCHMSA-N 2 2 344.503 1.577 20 0 EDADLP C[N@H+]1CCN(CCCNC(=O)C[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000873986155 597479920 /nfs/dbraw/zinc/47/99/20/597479920.db2.gz KTGLQOXLYYBCRG-LJQANCHMSA-N 2 2 344.503 1.577 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC000877357884 597500474 /nfs/dbraw/zinc/50/04/74/597500474.db2.gz NEQFLRAPZKZYQB-MRVWCRGKSA-N 2 2 349.397 1.225 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C(F)(F)F ZINC000877357884 597500475 /nfs/dbraw/zinc/50/04/75/597500475.db2.gz NEQFLRAPZKZYQB-MRVWCRGKSA-N 2 2 349.397 1.225 20 0 EDADLP Cn1c[nH+]c(CC[NH2+]C[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1 ZINC000877582074 597538368 /nfs/dbraw/zinc/53/83/68/597538368.db2.gz HJYRGYXZPPSESK-AWEZNQCLSA-N 2 2 338.452 1.924 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000877726294 597551512 /nfs/dbraw/zinc/55/15/12/597551512.db2.gz GYVVRJBKZGPDBY-NRSFXHEJSA-N 2 2 332.444 1.990 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000877726294 597551513 /nfs/dbraw/zinc/55/15/13/597551513.db2.gz GYVVRJBKZGPDBY-NRSFXHEJSA-N 2 2 332.444 1.990 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000878286062 597592700 /nfs/dbraw/zinc/59/27/00/597592700.db2.gz JYGHUSSRMHIVSL-QAPCUYQASA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000878286062 597592701 /nfs/dbraw/zinc/59/27/01/597592701.db2.gz JYGHUSSRMHIVSL-QAPCUYQASA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000878286062 597592702 /nfs/dbraw/zinc/59/27/02/597592702.db2.gz JYGHUSSRMHIVSL-QAPCUYQASA-N 3 2 334.508 1.146 20 0 EDADLP C[NH+]1CCC(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000878286062 597592703 /nfs/dbraw/zinc/59/27/03/597592703.db2.gz JYGHUSSRMHIVSL-QAPCUYQASA-N 3 2 334.508 1.146 20 0 EDADLP CCCNc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)nc[nH+]1 ZINC000882986812 597607629 /nfs/dbraw/zinc/60/76/29/597607629.db2.gz KEIDUGWIVDDZRM-MRXNPFEDSA-N 2 2 348.495 1.507 20 0 EDADLP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)CC1(O)CCCC1 ZINC000878551422 597632069 /nfs/dbraw/zinc/63/20/69/597632069.db2.gz CQDWKHHUZNMDNL-SJORKVTESA-N 2 2 326.481 1.229 20 0 EDADLP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)CC1(O)CCCC1 ZINC000878551422 597632071 /nfs/dbraw/zinc/63/20/71/597632071.db2.gz CQDWKHHUZNMDNL-SJORKVTESA-N 2 2 326.481 1.229 20 0 EDADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@H]21 ZINC000879578720 597641272 /nfs/dbraw/zinc/64/12/72/597641272.db2.gz GRJQAABYRATKAH-OWCLPIDISA-N 2 2 339.480 1.648 20 0 EDADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@H]21 ZINC000879578720 597641274 /nfs/dbraw/zinc/64/12/74/597641274.db2.gz GRJQAABYRATKAH-OWCLPIDISA-N 2 2 339.480 1.648 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@H]21 ZINC000879578720 597641278 /nfs/dbraw/zinc/64/12/78/597641278.db2.gz GRJQAABYRATKAH-OWCLPIDISA-N 2 2 339.480 1.648 20 0 EDADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC[C@H]21 ZINC000879578720 597641282 /nfs/dbraw/zinc/64/12/82/597641282.db2.gz GRJQAABYRATKAH-OWCLPIDISA-N 2 2 339.480 1.648 20 0 EDADLP COC(=O)c1ccc([C@H](C)[NH+]2CCC(N3CC[NH+](C)CC3)CC2)o1 ZINC000879591534 597648258 /nfs/dbraw/zinc/64/82/58/597648258.db2.gz OLYJFAZJCCNZSS-AWEZNQCLSA-N 2 2 335.448 1.839 20 0 EDADLP C[NH+]1CCN(C2CC[NH+]([C@@H](C(=O)OC(C)(C)C)C3CC3)CC2)CC1 ZINC000879594457 597650041 /nfs/dbraw/zinc/65/00/41/597650041.db2.gz JFVYYBJTWRZEQL-QGZVFWFLSA-N 2 2 337.508 1.819 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCCS2(=O)=O)[C@@H](C)C1 ZINC000883307323 597710788 /nfs/dbraw/zinc/71/07/88/597710788.db2.gz QVWBVNKGGHRTCM-BBWFWOEESA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCS2(=O)=O)[C@@H](C)C1 ZINC000883307323 597710790 /nfs/dbraw/zinc/71/07/90/597710790.db2.gz QVWBVNKGGHRTCM-BBWFWOEESA-N 2 2 346.537 1.680 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cncc4[nH]ccc43)C2)CC1 ZINC000878823791 597724227 /nfs/dbraw/zinc/72/42/27/597724227.db2.gz IFJBDEFUQRYQOL-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cncc4[nH]ccc43)C2)CC1 ZINC000878823791 597724229 /nfs/dbraw/zinc/72/42/29/597724229.db2.gz IFJBDEFUQRYQOL-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP CONC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000879926187 597767857 /nfs/dbraw/zinc/76/78/57/597767857.db2.gz NPRUQBQHEXGVRB-UHFFFAOYSA-N 2 2 347.459 1.408 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000880010918 597807652 /nfs/dbraw/zinc/80/76/52/597807652.db2.gz ZNHFIZNQVRKVEO-HUUCEWRRSA-N 2 2 336.505 1.793 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000880010918 597807655 /nfs/dbraw/zinc/80/76/55/597807655.db2.gz ZNHFIZNQVRKVEO-HUUCEWRRSA-N 2 2 336.505 1.793 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCOc2ccccc21 ZINC000880142280 597854578 /nfs/dbraw/zinc/85/45/78/597854578.db2.gz MOESRNONHURURF-HOTGVXAUSA-N 2 2 329.444 1.971 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCOc2ccccc21 ZINC000880142280 597854580 /nfs/dbraw/zinc/85/45/80/597854580.db2.gz MOESRNONHURURF-HOTGVXAUSA-N 2 2 329.444 1.971 20 0 EDADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CCOc2ccccc21 ZINC000880142280 597854583 /nfs/dbraw/zinc/85/45/83/597854583.db2.gz MOESRNONHURURF-HOTGVXAUSA-N 2 2 329.444 1.971 20 0 EDADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CCOc2ccccc21 ZINC000880142280 597854586 /nfs/dbraw/zinc/85/45/86/597854586.db2.gz MOESRNONHURURF-HOTGVXAUSA-N 2 2 329.444 1.971 20 0 EDADLP COC(=O)[C@H]([N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1(OC)CCC1 ZINC000880261663 597886421 /nfs/dbraw/zinc/88/64/21/597886421.db2.gz YDLPGQFEXHGNCJ-ZBFHGGJFSA-N 2 2 333.432 1.703 20 0 EDADLP COC(=O)[C@H]([N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)C1(OC)CCC1 ZINC000880261663 597886423 /nfs/dbraw/zinc/88/64/23/597886423.db2.gz YDLPGQFEXHGNCJ-ZBFHGGJFSA-N 2 2 333.432 1.703 20 0 EDADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC=C[C@@H]2CO)CC1 ZINC000880486152 597943200 /nfs/dbraw/zinc/94/32/00/597943200.db2.gz PHEFLWIFXBHMPO-LJQANCHMSA-N 2 2 343.471 1.308 20 0 EDADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC=C[C@@H]2CO)CC1 ZINC000880486152 597943205 /nfs/dbraw/zinc/94/32/05/597943205.db2.gz PHEFLWIFXBHMPO-LJQANCHMSA-N 2 2 343.471 1.308 20 0 EDADLP CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000880589625 597974071 /nfs/dbraw/zinc/97/40/71/597974071.db2.gz ATDFBFKGBVDBSJ-DLBZAZTESA-N 2 2 348.491 1.237 20 0 EDADLP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000880589625 597974074 /nfs/dbraw/zinc/97/40/74/597974074.db2.gz ATDFBFKGBVDBSJ-DLBZAZTESA-N 2 2 348.491 1.237 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884189359 598020463 /nfs/dbraw/zinc/02/04/63/598020463.db2.gz DKPQEIWZIHVBJB-BBRMVZONSA-N 2 2 331.416 1.140 20 0 EDADLP COc1cccc(OCC[NH+]2CCN(C(=O)[C@@H]([NH3+])CC3CC3)CC2)c1 ZINC000884318297 598063950 /nfs/dbraw/zinc/06/39/50/598063950.db2.gz SBBQZZPQAYVMGT-SFHVURJKSA-N 2 2 347.459 1.346 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884401255 598094178 /nfs/dbraw/zinc/09/41/78/598094178.db2.gz JIPPPJICMDSEFL-QGZVFWFLSA-N 3 2 345.491 1.037 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884401255 598094179 /nfs/dbraw/zinc/09/41/79/598094179.db2.gz JIPPPJICMDSEFL-QGZVFWFLSA-N 3 2 345.491 1.037 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CC2CCOCC2)[C@@H]1C ZINC000994297405 696726090 /nfs/dbraw/zinc/72/60/90/696726090.db2.gz GDXPPZPPEWDGDQ-GDBMZVCRSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCOCC2)[C@@H]1C ZINC000994297405 696726091 /nfs/dbraw/zinc/72/60/91/696726091.db2.gz GDXPPZPPEWDGDQ-GDBMZVCRSA-N 2 2 334.464 1.656 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000914082354 695079803 /nfs/dbraw/zinc/07/98/03/695079803.db2.gz DATHQVFLQDHFRR-WBVHZDCISA-N 2 2 349.479 1.094 20 0 EDADLP CCCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)o1 ZINC000939855940 699994439 /nfs/dbraw/zinc/99/44/39/699994439.db2.gz IUWGQCPTOALRJF-DZGCQCFKSA-N 2 2 345.447 1.769 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)ccc1C ZINC000939857431 699996393 /nfs/dbraw/zinc/99/63/93/699996393.db2.gz SROIHJXCVIVSER-RDJZCZTQSA-N 2 2 342.443 1.837 20 0 EDADLP Cn1ccc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@@H]32)n1 ZINC000992828158 695385878 /nfs/dbraw/zinc/38/58/78/695385878.db2.gz BQAGOUNQBVGIQX-RRQGHBQHSA-N 2 2 342.447 1.103 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccccn3)[C@@H]2C1 ZINC000992833525 695394113 /nfs/dbraw/zinc/39/41/13/695394113.db2.gz LPKPHDCWUBUPMM-QGTPRVQTSA-N 2 2 339.443 1.764 20 0 EDADLP COCc1ccc(C[NH+]2CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001031252126 696007440 /nfs/dbraw/zinc/00/74/40/696007440.db2.gz AWHVSUYLJPQMLU-QGZVFWFLSA-N 2 2 331.460 1.475 20 0 EDADLP COCc1ccc(C[NH+]2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001031252126 696007443 /nfs/dbraw/zinc/00/74/43/696007443.db2.gz AWHVSUYLJPQMLU-QGZVFWFLSA-N 2 2 331.460 1.475 20 0 EDADLP Cc1nc(NC2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cc[nH+]1 ZINC001060598822 696243606 /nfs/dbraw/zinc/24/36/06/696243606.db2.gz FWUZLNBKQTZHPS-QQFBHYJXSA-N 2 2 331.464 1.966 20 0 EDADLP Cc1nc(NC2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cc[nH+]1 ZINC001060598822 696243607 /nfs/dbraw/zinc/24/36/07/696243607.db2.gz FWUZLNBKQTZHPS-QQFBHYJXSA-N 2 2 331.464 1.966 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1Cc1cnn(C)c1 ZINC000993807382 696382684 /nfs/dbraw/zinc/38/26/84/696382684.db2.gz SFAGEWLIVKOERL-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@H+]1Cc1cnn(C)c1 ZINC000993807382 696382686 /nfs/dbraw/zinc/38/26/86/696382686.db2.gz SFAGEWLIVKOERL-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cnn(C)c1 ZINC000993807382 696382689 /nfs/dbraw/zinc/38/26/89/696382689.db2.gz SFAGEWLIVKOERL-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CCC[NH+]1Cc1cnn(C)c1 ZINC000993807382 696382690 /nfs/dbraw/zinc/38/26/90/696382690.db2.gz SFAGEWLIVKOERL-WBVHZDCISA-N 2 2 347.507 1.621 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000916857845 696799358 /nfs/dbraw/zinc/79/93/58/696799358.db2.gz DSVQAOGLZVQCGU-IAGOWNOFSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](Cc2ccn(C)n2)[C@H]1C ZINC000994417810 696833235 /nfs/dbraw/zinc/83/32/35/696833235.db2.gz FWJYQPHIJRLHCZ-BBRMVZONSA-N 2 2 330.436 1.094 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C)n2)[C@H]1C ZINC000994417810 696833237 /nfs/dbraw/zinc/83/32/37/696833237.db2.gz FWJYQPHIJRLHCZ-BBRMVZONSA-N 2 2 330.436 1.094 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)cn1 ZINC000994410116 696836307 /nfs/dbraw/zinc/83/63/07/696836307.db2.gz RKQZKLXFBWKHRC-RDJZCZTQSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)cn1 ZINC000994410116 696836313 /nfs/dbraw/zinc/83/63/13/696836313.db2.gz RKQZKLXFBWKHRC-RDJZCZTQSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)ccn1 ZINC000994415047 696840595 /nfs/dbraw/zinc/84/05/95/696840595.db2.gz ZJKTTZKFWLLOSG-DOTOQJQBSA-N 2 2 346.475 1.655 20 0 EDADLP COc1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)ccn1 ZINC000994415047 696840597 /nfs/dbraw/zinc/84/05/97/696840597.db2.gz ZJKTTZKFWLLOSG-DOTOQJQBSA-N 2 2 346.475 1.655 20 0 EDADLP Cc1ncoc1C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994420792 696842083 /nfs/dbraw/zinc/84/20/83/696842083.db2.gz KWGIFPMHQRXMDW-HIFRSBDPSA-N 2 2 331.420 1.657 20 0 EDADLP Cc1ncoc1C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC000994420792 696842084 /nfs/dbraw/zinc/84/20/84/696842084.db2.gz KWGIFPMHQRXMDW-HIFRSBDPSA-N 2 2 331.420 1.657 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC001031385739 697005741 /nfs/dbraw/zinc/00/57/41/697005741.db2.gz NHVNNVBRKKSVES-KDOFPFPSSA-N 2 2 331.435 1.955 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+]([C@H]3CCCc4ccc(F)cc43)C2)C1 ZINC001031385739 697005745 /nfs/dbraw/zinc/00/57/45/697005745.db2.gz NHVNNVBRKKSVES-KDOFPFPSSA-N 2 2 331.435 1.955 20 0 EDADLP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389124 697009344 /nfs/dbraw/zinc/00/93/44/697009344.db2.gz BWHYZOPZUCXKIL-MAUKXSAKSA-N 2 2 331.460 1.047 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC001031390730 697015053 /nfs/dbraw/zinc/01/50/53/697015053.db2.gz VWINOGDBKPWORT-UHFFFAOYSA-N 2 2 340.427 1.170 20 0 EDADLP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)c3ccccc3C[NH+](C)C)C2)O1 ZINC001031438025 697108262 /nfs/dbraw/zinc/10/82/62/697108262.db2.gz QVHVJGUTYQKONY-RHSMWYFYSA-N 2 2 331.460 1.730 20 0 EDADLP CCc1onc(C)c1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000918905445 697222158 /nfs/dbraw/zinc/22/21/58/697222158.db2.gz FBWFXPIVSZANNX-CQSZACIVSA-N 2 2 349.479 1.513 20 0 EDADLP CCc1onc(C)c1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000918905445 697222160 /nfs/dbraw/zinc/22/21/60/697222160.db2.gz FBWFXPIVSZANNX-CQSZACIVSA-N 2 2 349.479 1.513 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)on1 ZINC001031669752 697465479 /nfs/dbraw/zinc/46/54/79/697465479.db2.gz SLGALSPSIBNCSV-LSDHHAIUSA-N 2 2 348.447 1.106 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)on1 ZINC001031669752 697465481 /nfs/dbraw/zinc/46/54/81/697465481.db2.gz SLGALSPSIBNCSV-LSDHHAIUSA-N 2 2 348.447 1.106 20 0 EDADLP O=C(NCC1C[NH+](Cc2cc(F)ccc2F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675991 697488717 /nfs/dbraw/zinc/48/87/17/697488717.db2.gz ZLEWLJXUDFBMFZ-KRWDZBQOSA-N 2 2 349.425 1.855 20 0 EDADLP C[C@@H]1CC[C@H](C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)O1 ZINC000940083683 700177992 /nfs/dbraw/zinc/17/79/92/700177992.db2.gz SBWYKUPBDMXQAE-HUUCEWRRSA-N 2 2 334.464 1.881 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000943332356 698148794 /nfs/dbraw/zinc/14/87/94/698148794.db2.gz CEQTYQRDTNAQBI-XJKSGUPXSA-N 2 2 348.495 1.172 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000943332356 698148796 /nfs/dbraw/zinc/14/87/96/698148796.db2.gz CEQTYQRDTNAQBI-XJKSGUPXSA-N 2 2 348.495 1.172 20 0 EDADLP Cc1ncsc1CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943765576 698816103 /nfs/dbraw/zinc/81/61/03/698816103.db2.gz DPVPYRNMJOZIHT-GXTWGEPZSA-N 2 2 347.488 1.786 20 0 EDADLP Cc1ncsc1CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943765576 698816105 /nfs/dbraw/zinc/81/61/05/698816105.db2.gz DPVPYRNMJOZIHT-GXTWGEPZSA-N 2 2 347.488 1.786 20 0 EDADLP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC000941466107 701552735 /nfs/dbraw/zinc/55/27/35/701552735.db2.gz SFCUCOJWZQKQFL-INIZCTEOSA-N 2 2 345.491 1.074 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)on1 ZINC001031767010 699068282 /nfs/dbraw/zinc/06/82/82/699068282.db2.gz POXIHJUTTDXIAX-ZBFHGGJFSA-N 2 2 348.447 1.248 20 0 EDADLP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)on1 ZINC001031767010 699068285 /nfs/dbraw/zinc/06/82/85/699068285.db2.gz POXIHJUTTDXIAX-ZBFHGGJFSA-N 2 2 348.447 1.248 20 0 EDADLP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000941509562 701564020 /nfs/dbraw/zinc/56/40/20/701564020.db2.gz RAQRISWFSKKOAU-INIZCTEOSA-N 2 2 333.480 1.148 20 0 EDADLP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)cn1 ZINC000995157349 701564346 /nfs/dbraw/zinc/56/43/46/701564346.db2.gz BRNFHCJDHIEYBG-GOEBONIOSA-N 2 2 342.447 1.136 20 0 EDADLP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C2)nc1 ZINC000995157988 701565773 /nfs/dbraw/zinc/56/57/73/701565773.db2.gz FFKJODLJQCKCSN-CABCVRRESA-N 2 2 342.447 1.136 20 0 EDADLP CC[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1)[NH+](C)C ZINC000941527143 701571201 /nfs/dbraw/zinc/57/12/01/701571201.db2.gz VCEXSWKMOOSAON-KGLIPLIRSA-N 2 2 343.431 1.005 20 0 EDADLP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031782788 699204399 /nfs/dbraw/zinc/20/43/99/699204399.db2.gz LYFGQJLNXCQQCH-HZPDHXFCSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)n1 ZINC000939128870 699207909 /nfs/dbraw/zinc/20/79/09/699207909.db2.gz QXNIVRCLFXZDPW-TZMCWYRMSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)n1 ZINC000939128870 699207912 /nfs/dbraw/zinc/20/79/12/699207912.db2.gz QXNIVRCLFXZDPW-TZMCWYRMSA-N 2 2 335.452 1.046 20 0 EDADLP Cc1ccncc1C[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783859 699212191 /nfs/dbraw/zinc/21/21/91/699212191.db2.gz IAQPUAJVGSHACH-INIZCTEOSA-N 2 2 339.443 1.397 20 0 EDADLP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031784445 699216535 /nfs/dbraw/zinc/21/65/35/699216535.db2.gz RUYMHBAOFSETAY-OAHLLOKOSA-N 2 2 332.448 1.063 20 0 EDADLP Cc1c(C(=O)NCC2C[NH+](Cc3cncs3)C2)ccc2c[nH+]cn21 ZINC001031800629 699320018 /nfs/dbraw/zinc/32/00/18/699320018.db2.gz WZYDZSBKXKNRMD-UHFFFAOYSA-N 2 2 341.440 1.961 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](Cc3ccsc3)C2)no1 ZINC001031799283 699324587 /nfs/dbraw/zinc/32/45/87/699324587.db2.gz BRDXSVSBUKYRRU-UHFFFAOYSA-N 2 2 334.445 1.660 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCc1ccccc1F ZINC000939209726 699356353 /nfs/dbraw/zinc/35/63/53/699356353.db2.gz IJJNSTHIJUGRHM-SUMWQHHRSA-N 2 2 330.407 1.771 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939209777 699357025 /nfs/dbraw/zinc/35/70/25/699357025.db2.gz JBWXGFJFMQMKPV-RISCZKNCSA-N 2 2 333.823 1.637 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000939211164 699359161 /nfs/dbraw/zinc/35/91/61/699359161.db2.gz QSTHAFHMMILVAV-PXAZEXFGSA-N 2 2 348.397 1.910 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)s1 ZINC000939212003 699360713 /nfs/dbraw/zinc/36/07/13/699360713.db2.gz WDURKEVABJMKBH-HZMBPMFUSA-N 2 2 333.461 1.662 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000939236524 699405479 /nfs/dbraw/zinc/40/54/79/699405479.db2.gz PUDXNIZWGRGXMZ-CABCVRRESA-N 2 2 342.447 1.433 20 0 EDADLP Cc1nnsc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995163994 701599159 /nfs/dbraw/zinc/59/91/59/701599159.db2.gz YHYVJFREJOYLPZ-OLZOCXBDSA-N 2 2 348.476 1.197 20 0 EDADLP Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cc1 ZINC000939533576 699671347 /nfs/dbraw/zinc/67/13/47/699671347.db2.gz BSMJLKSRDSPTHS-VQIMIIECSA-N 2 2 340.471 1.950 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939534138 699672318 /nfs/dbraw/zinc/67/23/18/699672318.db2.gz ICKMWFITSZZUOG-DYVFJYSZSA-N 2 2 327.432 1.303 20 0 EDADLP CC(C)c1noc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC000939547552 699672988 /nfs/dbraw/zinc/67/29/88/699672988.db2.gz XPQLFFHVGDJGAB-ZIAGYGMSSA-N 2 2 347.463 1.225 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000939534306 699675082 /nfs/dbraw/zinc/67/50/82/699675082.db2.gz IWAYVVDJZYMVKU-KSSFIOAISA-N 2 2 344.434 1.781 20 0 EDADLP Cc1conc1C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000939550272 699699182 /nfs/dbraw/zinc/69/91/82/699699182.db2.gz HUZYYHBKXNBPAP-LRDDRELGSA-N 2 2 343.431 1.694 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)o1 ZINC000939550483 699699398 /nfs/dbraw/zinc/69/93/98/699699398.db2.gz LAYMLQYKQKBQEF-BXUZGUMPSA-N 2 2 344.419 1.089 20 0 EDADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000939550616 699699952 /nfs/dbraw/zinc/69/99/52/699699952.db2.gz NBKCEEMFTOJHNX-FZMZJTMJSA-N 2 2 346.460 1.249 20 0 EDADLP COc1cccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)c1 ZINC000939621539 699757999 /nfs/dbraw/zinc/75/79/99/699757999.db2.gz AZFITSIPRILULA-UGSOOPFHSA-N 2 2 342.443 1.906 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccnc2C)C1 ZINC000939622082 699758812 /nfs/dbraw/zinc/75/88/12/699758812.db2.gz INPXPLWEYUKWFT-PXAZEXFGSA-N 2 2 327.432 1.601 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C)ncn1 ZINC000939642604 699771873 /nfs/dbraw/zinc/77/18/73/699771873.db2.gz LKDNYLCEYADOPR-DYVFJYSZSA-N 2 2 342.447 1.088 20 0 EDADLP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc(C(F)F)no1 ZINC000939755046 699906025 /nfs/dbraw/zinc/90/60/25/699906025.db2.gz OSLJECSZPSNEDL-GHMZBOCLSA-N 2 2 343.378 1.040 20 0 EDADLP CC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000940144826 700274893 /nfs/dbraw/zinc/27/48/93/700274893.db2.gz PSEJIYLRZVALLB-INIZCTEOSA-N 2 2 334.464 1.882 20 0 EDADLP CC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000940144826 700274897 /nfs/dbraw/zinc/27/48/97/700274897.db2.gz PSEJIYLRZVALLB-INIZCTEOSA-N 2 2 334.464 1.882 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)c[nH+]1 ZINC000940174414 700329327 /nfs/dbraw/zinc/32/93/27/700329327.db2.gz YQPRWISVFZBPKC-UHFFFAOYSA-N 2 2 346.435 1.481 20 0 EDADLP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000940228994 700394808 /nfs/dbraw/zinc/39/48/08/700394808.db2.gz WSNXOPXCBNCKCI-UHFFFAOYSA-N 2 2 345.447 1.820 20 0 EDADLP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000940243494 700404711 /nfs/dbraw/zinc/40/47/11/700404711.db2.gz RYDZYHOSCDNVSZ-UHFFFAOYSA-N 2 2 342.447 1.543 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940371012 700553418 /nfs/dbraw/zinc/55/34/18/700553418.db2.gz GRISUDOBTRZUJI-OAHLLOKOSA-N 2 2 348.491 1.986 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940371012 700553421 /nfs/dbraw/zinc/55/34/21/700553421.db2.gz GRISUDOBTRZUJI-OAHLLOKOSA-N 2 2 348.491 1.986 20 0 EDADLP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)n1 ZINC000940441729 700643366 /nfs/dbraw/zinc/64/33/66/700643366.db2.gz QYJULCVHAMHIDQ-UHFFFAOYSA-N 2 2 344.463 1.648 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940442086 700643705 /nfs/dbraw/zinc/64/37/05/700643705.db2.gz YSTRMTLUDJXSQG-UHFFFAOYSA-N 2 2 334.464 1.658 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940445902 700648005 /nfs/dbraw/zinc/64/80/05/700648005.db2.gz WYBJHLPMXCZESH-UHFFFAOYSA-N 2 2 341.459 1.919 20 0 EDADLP Cc1csc(C[NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000940482853 700671049 /nfs/dbraw/zinc/67/10/49/700671049.db2.gz VXYSWNCXYMXIBX-UHFFFAOYSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](C[C@H](C)O)CC2(C)C)c[nH+]1 ZINC000940836304 700934119 /nfs/dbraw/zinc/93/41/19/700934119.db2.gz IMIUROXOSRDQMC-GJZGRUSLSA-N 2 2 336.480 1.524 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)CC2(C)C)c[nH+]1 ZINC000940836304 700934120 /nfs/dbraw/zinc/93/41/20/700934120.db2.gz IMIUROXOSRDQMC-GJZGRUSLSA-N 2 2 336.480 1.524 20 0 EDADLP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000940850125 700944202 /nfs/dbraw/zinc/94/42/02/700944202.db2.gz BPSOHZPIRPWMMG-GDBMZVCRSA-N 2 2 334.464 1.045 20 0 EDADLP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000940850125 700944203 /nfs/dbraw/zinc/94/42/03/700944203.db2.gz BPSOHZPIRPWMMG-GDBMZVCRSA-N 2 2 334.464 1.045 20 0 EDADLP C[C@@H](O)[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000353833682 701055354 /nfs/dbraw/zinc/05/53/54/701055354.db2.gz FOHFXDPKPDUGEM-LSDHHAIUSA-N 2 2 326.485 1.005 20 0 EDADLP CC1(C)C[N@H+](CC[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061420 701108289 /nfs/dbraw/zinc/10/82/89/701108289.db2.gz MZEAFRNLKIKLPB-HOTGVXAUSA-N 2 2 334.464 1.738 20 0 EDADLP CC1(C)C[N@@H+](CC[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061420 701108292 /nfs/dbraw/zinc/10/82/92/701108292.db2.gz MZEAFRNLKIKLPB-HOTGVXAUSA-N 2 2 334.464 1.738 20 0 EDADLP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941078452 701140444 /nfs/dbraw/zinc/14/04/44/701140444.db2.gz FGDVAEMWYZVBQV-INIZCTEOSA-N 2 2 349.479 1.518 20 0 EDADLP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)CC1 ZINC000941078452 701140445 /nfs/dbraw/zinc/14/04/45/701140445.db2.gz FGDVAEMWYZVBQV-INIZCTEOSA-N 2 2 349.479 1.518 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)ccn1 ZINC000945807722 701198721 /nfs/dbraw/zinc/19/87/21/701198721.db2.gz LEARVUQQKZKNNY-GDBMZVCRSA-N 2 2 343.431 1.314 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)ccn1 ZINC000945807722 701198722 /nfs/dbraw/zinc/19/87/22/701198722.db2.gz LEARVUQQKZKNNY-GDBMZVCRSA-N 2 2 343.431 1.314 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)sn1 ZINC000945809619 701202200 /nfs/dbraw/zinc/20/22/00/701202200.db2.gz VDSYDHNNZXVAIO-WFASDCNBSA-N 2 2 333.461 1.675 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)sn1 ZINC000945809619 701202203 /nfs/dbraw/zinc/20/22/03/701202203.db2.gz VDSYDHNNZXVAIO-WFASDCNBSA-N 2 2 333.461 1.675 20 0 EDADLP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1)OC ZINC000941186836 701391302 /nfs/dbraw/zinc/39/13/02/701391302.db2.gz RTLQQPRZHSVPFH-HOCLYGCPSA-N 2 2 336.480 1.902 20 0 EDADLP CC[C@@H](C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1)OC ZINC000941186836 701391304 /nfs/dbraw/zinc/39/13/04/701391304.db2.gz RTLQQPRZHSVPFH-HOCLYGCPSA-N 2 2 336.480 1.902 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941215362 701401549 /nfs/dbraw/zinc/40/15/49/701401549.db2.gz RBQMOJKCDUYZAT-KRWDZBQOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941215362 701401550 /nfs/dbraw/zinc/40/15/50/701401550.db2.gz RBQMOJKCDUYZAT-KRWDZBQOSA-N 2 2 345.491 1.598 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)no1 ZINC000941221619 701412570 /nfs/dbraw/zinc/41/25/70/701412570.db2.gz YUGXXOJLYOFRRK-MRXNPFEDSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)no1 ZINC000941221619 701412571 /nfs/dbraw/zinc/41/25/71/701412571.db2.gz YUGXXOJLYOFRRK-MRXNPFEDSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223571 701413851 /nfs/dbraw/zinc/41/38/51/701413851.db2.gz HLZNNPKSEJSHSS-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223571 701413852 /nfs/dbraw/zinc/41/38/52/701413852.db2.gz HLZNNPKSEJSHSS-MRXNPFEDSA-N 2 2 345.447 1.905 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001031976848 701955344 /nfs/dbraw/zinc/95/53/44/701955344.db2.gz UDCROTKSIQOAEL-WMLDXEAASA-N 2 2 347.507 1.384 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001031976848 701955347 /nfs/dbraw/zinc/95/53/47/701955347.db2.gz UDCROTKSIQOAEL-WMLDXEAASA-N 2 2 347.507 1.384 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001031978095 701987743 /nfs/dbraw/zinc/98/77/43/701987743.db2.gz NZIZJYAXLBJCLK-SJCJKPOMSA-N 2 2 337.414 1.711 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001031978095 701987747 /nfs/dbraw/zinc/98/77/47/701987747.db2.gz NZIZJYAXLBJCLK-SJCJKPOMSA-N 2 2 337.414 1.711 20 0 EDADLP CCn1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC000995182918 702095499 /nfs/dbraw/zinc/09/54/99/702095499.db2.gz KHYSISADXCZRGX-LSDHHAIUSA-N 2 2 344.463 1.552 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2snnc2C)C1 ZINC001032206064 702127484 /nfs/dbraw/zinc/12/74/84/702127484.db2.gz QRZWUVORSLAGTO-CQSZACIVSA-N 2 2 337.493 1.269 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2snnc2C)C1 ZINC001032206064 702127488 /nfs/dbraw/zinc/12/74/88/702127488.db2.gz QRZWUVORSLAGTO-CQSZACIVSA-N 2 2 337.493 1.269 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)C1 ZINC000995892413 702192106 /nfs/dbraw/zinc/19/21/06/702192106.db2.gz NOAPCAUIMRIAGF-HOTGVXAUSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@H](C[NH2+][C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000995892413 702192112 /nfs/dbraw/zinc/19/21/12/702192112.db2.gz NOAPCAUIMRIAGF-HOTGVXAUSA-N 2 2 348.491 1.984 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944101562 702215427 /nfs/dbraw/zinc/21/54/27/702215427.db2.gz XCIFYIBFPBOJHW-CZUORRHYSA-N 2 2 342.447 1.088 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944101562 702215429 /nfs/dbraw/zinc/21/54/29/702215429.db2.gz XCIFYIBFPBOJHW-CZUORRHYSA-N 2 2 342.447 1.088 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000995890822 702232724 /nfs/dbraw/zinc/23/27/24/702232724.db2.gz IHKODBAISARAHD-HNNXBMFYSA-N 2 2 330.436 1.066 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000995890822 702232729 /nfs/dbraw/zinc/23/27/29/702232729.db2.gz IHKODBAISARAHD-HNNXBMFYSA-N 2 2 330.436 1.066 20 0 EDADLP CC[C@H]([NH2+][C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1(C)C)C(N)=O ZINC000995945101 702290700 /nfs/dbraw/zinc/29/07/00/702290700.db2.gz CUWWCKOCLHOUKX-KBPBESRZSA-N 2 2 349.479 1.017 20 0 EDADLP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)o1 ZINC000995992998 702369870 /nfs/dbraw/zinc/36/98/70/702369870.db2.gz AAQLWHGUAGXCND-HNNXBMFYSA-N 2 2 346.475 1.938 20 0 EDADLP C[C@@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000942064192 702495733 /nfs/dbraw/zinc/49/57/33/702495733.db2.gz PISGHXQQMKDZGS-GDBMZVCRSA-N 2 2 336.455 1.948 20 0 EDADLP C[C@@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000942064192 702495735 /nfs/dbraw/zinc/49/57/35/702495735.db2.gz PISGHXQQMKDZGS-GDBMZVCRSA-N 2 2 336.455 1.948 20 0 EDADLP Cn1cc(C[NH2+][C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC2(C)C)cn1 ZINC000996076833 702525081 /nfs/dbraw/zinc/52/50/81/702525081.db2.gz VJRQFNWMKGXCQB-HNNXBMFYSA-N 2 2 344.463 1.113 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000996106184 702567157 /nfs/dbraw/zinc/56/71/57/702567157.db2.gz NOHIXAWJONACIL-MRXNPFEDSA-N 2 2 334.464 1.526 20 0 EDADLP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2csnn2)C(C)(C)C1)[NH+](C)C ZINC000996316076 702704064 /nfs/dbraw/zinc/70/40/64/702704064.db2.gz WPJQBWVWWBIHER-QWHCGFSZSA-N 2 2 325.482 1.205 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996463100 702790491 /nfs/dbraw/zinc/79/04/91/702790491.db2.gz VZPRTNBBCKUGEO-OAHLLOKOSA-N 2 2 327.432 1.682 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC000996513798 702833038 /nfs/dbraw/zinc/83/30/38/702833038.db2.gz JRMCLRISCBYEAQ-HZPDHXFCSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CC[C@H]2CCCO2)C(C)(C)C1 ZINC000996561009 702874960 /nfs/dbraw/zinc/87/49/60/702874960.db2.gz GBCLOTHNVNPKTP-ZBFHGGJFSA-N 2 2 334.464 1.656 20 0 EDADLP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)ncn1 ZINC000995241079 702894805 /nfs/dbraw/zinc/89/48/05/702894805.db2.gz DOLKFGMVUBCYFE-CABCVRRESA-N 2 2 328.420 1.056 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996608088 702911560 /nfs/dbraw/zinc/91/15/60/702911560.db2.gz FYDBKWZWDZLTKB-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCCc1noc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996608088 702911561 /nfs/dbraw/zinc/91/15/61/702911561.db2.gz FYDBKWZWDZLTKB-KBPBESRZSA-N 2 2 349.479 1.300 20 0 EDADLP CCc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996613714 702918692 /nfs/dbraw/zinc/91/86/92/702918692.db2.gz WXYIQVWZPFXQPF-ZIAGYGMSSA-N 2 2 349.479 1.615 20 0 EDADLP COc1nscc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995243012 702920987 /nfs/dbraw/zinc/92/09/87/702920987.db2.gz HWKSJULOOSTTDX-OCCSQVGLSA-N 2 2 349.460 1.423 20 0 EDADLP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)oc1C ZINC000995243774 702931773 /nfs/dbraw/zinc/93/17/73/702931773.db2.gz SNFUBOIIPYZZJO-LSDHHAIUSA-N 2 2 331.420 1.563 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2noc(CC)n2)CC1 ZINC000996665359 702967399 /nfs/dbraw/zinc/96/73/99/702967399.db2.gz XXVSZDXSDCTPDQ-OAHLLOKOSA-N 2 2 349.479 1.587 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2noc(CC)n2)CC1 ZINC000996665359 702967401 /nfs/dbraw/zinc/96/74/01/702967401.db2.gz XXVSZDXSDCTPDQ-OAHLLOKOSA-N 2 2 349.479 1.587 20 0 EDADLP CC(C)c1noc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995255825 703000735 /nfs/dbraw/zinc/00/07/35/703000735.db2.gz XXMKKRGFFPAMOQ-KGLIPLIRSA-N 2 2 346.435 1.464 20 0 EDADLP Cc1cncc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)c1 ZINC000996712070 703006955 /nfs/dbraw/zinc/00/69/55/703006955.db2.gz FCOJFAXUQIIEPA-INIZCTEOSA-N 2 2 327.432 1.613 20 0 EDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000996712798 703007401 /nfs/dbraw/zinc/00/74/01/703007401.db2.gz GXIBXRSREVSQGG-OAHLLOKOSA-N 2 2 331.395 1.444 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)sn1 ZINC000995255275 703009040 /nfs/dbraw/zinc/00/90/40/703009040.db2.gz WRRUXSVWNVNVMV-CHWSQXEVSA-N 2 2 349.460 1.423 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996718918 703012679 /nfs/dbraw/zinc/01/26/79/703012679.db2.gz VPTZYNWXAAYPCZ-UHFFFAOYSA-N 2 2 343.431 1.147 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2coc(C)n2)C[C@H]1C ZINC000942519039 703020649 /nfs/dbraw/zinc/02/06/49/703020649.db2.gz YQHRWZOSETUMGX-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2coc(C)n2)C[C@H]1C ZINC000942519039 703020650 /nfs/dbraw/zinc/02/06/50/703020650.db2.gz YQHRWZOSETUMGX-MLGOLLRUSA-N 2 2 331.420 1.515 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996758449 703046931 /nfs/dbraw/zinc/04/69/31/703046931.db2.gz OPVWRTUOMYCQDF-HUUCEWRRSA-N 2 2 332.448 1.063 20 0 EDADLP C[C@H]1C[N@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555244 703068633 /nfs/dbraw/zinc/06/86/33/703068633.db2.gz HDKBCLAPXIOKHZ-GOEBONIOSA-N 2 2 348.495 1.016 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cn(C)nn2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555244 703068636 /nfs/dbraw/zinc/06/86/36/703068636.db2.gz HDKBCLAPXIOKHZ-GOEBONIOSA-N 2 2 348.495 1.016 20 0 EDADLP Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)[nH]1 ZINC000942556268 703070516 /nfs/dbraw/zinc/07/05/16/703070516.db2.gz YMVPHMWAXWIUAV-HIFRSBDPSA-N 2 2 348.495 1.314 20 0 EDADLP Cc1nnc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)[nH]1 ZINC000942556268 703070520 /nfs/dbraw/zinc/07/05/20/703070520.db2.gz YMVPHMWAXWIUAV-HIFRSBDPSA-N 2 2 348.495 1.314 20 0 EDADLP CCC[NH+]1CCN(C2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000996800511 703086427 /nfs/dbraw/zinc/08/64/27/703086427.db2.gz CKNNCXBBKQIBRH-UHFFFAOYSA-N 2 2 336.524 1.537 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cnns2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596599 703110776 /nfs/dbraw/zinc/11/07/76/703110776.db2.gz CPQRXFAODMVAEM-IUODEOHRSA-N 2 2 337.493 1.207 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2cnns2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596599 703110777 /nfs/dbraw/zinc/11/07/77/703110777.db2.gz CPQRXFAODMVAEM-IUODEOHRSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032332928 703117841 /nfs/dbraw/zinc/11/78/41/703117841.db2.gz GKZHQLVNVCVNQW-JENIJYKNSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cccc(C)c1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032332928 703117843 /nfs/dbraw/zinc/11/78/43/703117843.db2.gz GKZHQLVNVCVNQW-JENIJYKNSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cccc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032332928 703117844 /nfs/dbraw/zinc/11/78/44/703117844.db2.gz GKZHQLVNVCVNQW-JENIJYKNSA-N 2 2 343.471 1.419 20 0 EDADLP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032332928 703117845 /nfs/dbraw/zinc/11/78/45/703117845.db2.gz GKZHQLVNVCVNQW-JENIJYKNSA-N 2 2 343.471 1.419 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000996836569 703123924 /nfs/dbraw/zinc/12/39/24/703123924.db2.gz XVJLAOKLJBPRNZ-MRXNPFEDSA-N 2 2 348.491 1.748 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032044133 703234939 /nfs/dbraw/zinc/23/49/39/703234939.db2.gz QPNHNXSZNCVALG-MSOLQXFVSA-N 2 2 346.450 1.786 20 0 EDADLP O=C(NCC1C[NH+](Cc2ccc(F)cn2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032044133 703234940 /nfs/dbraw/zinc/23/49/40/703234940.db2.gz QPNHNXSZNCVALG-MSOLQXFVSA-N 2 2 346.450 1.786 20 0 EDADLP CCc1noc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000997037030 703288776 /nfs/dbraw/zinc/28/87/76/703288776.db2.gz QWQRLDVDGHXCOG-LLVKDONJSA-N 2 2 332.408 1.239 20 0 EDADLP C[C@H]1C[N@H+](Cc2ncccn2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942820869 703329237 /nfs/dbraw/zinc/32/92/37/703329237.db2.gz AYCLVMUMWRDQOF-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ncccn2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942820869 703329238 /nfs/dbraw/zinc/32/92/38/703329238.db2.gz AYCLVMUMWRDQOF-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1C[NH+](Cc2ncccn2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942820869 703329240 /nfs/dbraw/zinc/32/92/40/703329240.db2.gz AYCLVMUMWRDQOF-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP C[C@H]1C[NH+](Cc2ncccn2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942820869 703329242 /nfs/dbraw/zinc/32/92/42/703329242.db2.gz AYCLVMUMWRDQOF-JKSUJKDBSA-N 2 2 345.491 1.535 20 0 EDADLP Cc1noc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)n1 ZINC000997184261 703473001 /nfs/dbraw/zinc/47/30/01/703473001.db2.gz VKDFYDJVRMXGPB-LLVKDONJSA-N 2 2 346.435 1.721 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997235763 703522893 /nfs/dbraw/zinc/52/28/93/703522893.db2.gz DAAXKUXFESVTNQ-UHFFFAOYSA-N 2 2 347.488 1.633 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000997238728 703525220 /nfs/dbraw/zinc/52/52/20/703525220.db2.gz VYSDWLNRHYVYNA-UHFFFAOYSA-N 2 2 327.432 1.529 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001060825086 703555228 /nfs/dbraw/zinc/55/52/28/703555228.db2.gz NYPXYUZVHHYJDT-HOTGVXAUSA-N 2 2 331.464 1.756 20 0 EDADLP Cc1nc(NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)c(C)[nH+]1 ZINC001060825086 703555229 /nfs/dbraw/zinc/55/52/29/703555229.db2.gz NYPXYUZVHHYJDT-HOTGVXAUSA-N 2 2 331.464 1.756 20 0 EDADLP Cc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)s1 ZINC001032445093 703622776 /nfs/dbraw/zinc/62/27/76/703622776.db2.gz VGSXGUNLUSSILL-YQQAZPJKSA-N 2 2 348.516 1.885 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+](C)C)s1 ZINC001032445093 703622777 /nfs/dbraw/zinc/62/27/77/703622777.db2.gz VGSXGUNLUSSILL-YQQAZPJKSA-N 2 2 348.516 1.885 20 0 EDADLP COc1cc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)ccc1C ZINC000997413920 703668531 /nfs/dbraw/zinc/66/85/31/703668531.db2.gz VQVIILCIXAKVJG-UHFFFAOYSA-N 2 2 342.443 1.981 20 0 EDADLP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947928498 703810369 /nfs/dbraw/zinc/81/03/69/703810369.db2.gz BJPOEYLEDWHZJK-WFASDCNBSA-N 2 2 331.420 1.428 20 0 EDADLP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947928498 703810371 /nfs/dbraw/zinc/81/03/71/703810371.db2.gz BJPOEYLEDWHZJK-WFASDCNBSA-N 2 2 331.420 1.428 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001004201755 703930374 /nfs/dbraw/zinc/93/03/74/703930374.db2.gz QDNGZHMYIFGWQB-QGZVFWFLSA-N 2 2 347.507 1.858 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004201755 703930376 /nfs/dbraw/zinc/93/03/76/703930376.db2.gz QDNGZHMYIFGWQB-QGZVFWFLSA-N 2 2 347.507 1.858 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC000995552330 703959674 /nfs/dbraw/zinc/95/96/74/703959674.db2.gz QKZALPZLIGHPAM-HOCLYGCPSA-N 2 2 346.475 1.973 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC000995552330 703959675 /nfs/dbraw/zinc/95/96/75/703959675.db2.gz QKZALPZLIGHPAM-HOCLYGCPSA-N 2 2 346.475 1.973 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCN1C ZINC000922554436 703977243 /nfs/dbraw/zinc/97/72/43/703977243.db2.gz DXPJCDUHGQVJTJ-APWZRJJASA-N 2 2 333.476 1.580 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)ncn1 ZINC001033071200 704092297 /nfs/dbraw/zinc/09/22/97/704092297.db2.gz WWDFEZIPEWKOQI-QZTJIDSGSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)ncn1 ZINC001033071200 704092301 /nfs/dbraw/zinc/09/23/01/704092301.db2.gz WWDFEZIPEWKOQI-QZTJIDSGSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)ncn1 ZINC001033071200 704092305 /nfs/dbraw/zinc/09/23/05/704092305.db2.gz WWDFEZIPEWKOQI-QZTJIDSGSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C(C)C)C2)ncn1 ZINC001033071200 704092309 /nfs/dbraw/zinc/09/23/09/704092309.db2.gz WWDFEZIPEWKOQI-QZTJIDSGSA-N 2 2 345.491 1.691 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091565 704166568 /nfs/dbraw/zinc/16/65/68/704166568.db2.gz KYOHOUMTEYNDSX-MGPQQGTHSA-N 2 2 337.493 1.219 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033091565 704166571 /nfs/dbraw/zinc/16/65/71/704166571.db2.gz KYOHOUMTEYNDSX-MGPQQGTHSA-N 2 2 337.493 1.219 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033091565 704166573 /nfs/dbraw/zinc/16/65/73/704166573.db2.gz KYOHOUMTEYNDSX-MGPQQGTHSA-N 2 2 337.493 1.219 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033091565 704166575 /nfs/dbraw/zinc/16/65/75/704166575.db2.gz KYOHOUMTEYNDSX-MGPQQGTHSA-N 2 2 337.493 1.219 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1C ZINC001033094937 704174125 /nfs/dbraw/zinc/17/41/25/704174125.db2.gz LFPDRJOIJMWGIT-HYVNUMGLSA-N 2 2 333.480 1.101 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1C ZINC001033094937 704174127 /nfs/dbraw/zinc/17/41/27/704174127.db2.gz LFPDRJOIJMWGIT-HYVNUMGLSA-N 2 2 333.480 1.101 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001033094937 704174129 /nfs/dbraw/zinc/17/41/29/704174129.db2.gz LFPDRJOIJMWGIT-HYVNUMGLSA-N 2 2 333.480 1.101 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)nn1C ZINC001033094937 704174131 /nfs/dbraw/zinc/17/41/31/704174131.db2.gz LFPDRJOIJMWGIT-HYVNUMGLSA-N 2 2 333.480 1.101 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3nccn3CC)C2)CC[N@@H+]1C ZINC001033096088 704183629 /nfs/dbraw/zinc/18/36/29/704183629.db2.gz IOXBWGLVYILPIU-IXDOHACOSA-N 2 2 347.507 1.666 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3nccn3CC)C2)CC[N@H+]1C ZINC001033096088 704183630 /nfs/dbraw/zinc/18/36/30/704183630.db2.gz IOXBWGLVYILPIU-IXDOHACOSA-N 2 2 347.507 1.666 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3nccn3CC)C2)CC[NH+]1C ZINC001033096088 704183631 /nfs/dbraw/zinc/18/36/31/704183631.db2.gz IOXBWGLVYILPIU-IXDOHACOSA-N 2 2 347.507 1.666 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3nccn3CC)C2)CC[NH+]1C ZINC001033096088 704183632 /nfs/dbraw/zinc/18/36/32/704183632.db2.gz IOXBWGLVYILPIU-IXDOHACOSA-N 2 2 347.507 1.666 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004423581 704404289 /nfs/dbraw/zinc/40/42/89/704404289.db2.gz BZAKEOMNEOYISJ-MRXNPFEDSA-N 2 2 334.464 1.428 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004423581 704404291 /nfs/dbraw/zinc/40/42/91/704404291.db2.gz BZAKEOMNEOYISJ-MRXNPFEDSA-N 2 2 334.464 1.428 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004458741 704452442 /nfs/dbraw/zinc/45/24/42/704452442.db2.gz PFHKUZLIFAITLO-PBHICJAKSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001004458741 704452444 /nfs/dbraw/zinc/45/24/44/704452444.db2.gz PFHKUZLIFAITLO-PBHICJAKSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004458741 704452446 /nfs/dbraw/zinc/45/24/46/704452446.db2.gz PFHKUZLIFAITLO-PBHICJAKSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001004458741 704452448 /nfs/dbraw/zinc/45/24/48/704452448.db2.gz PFHKUZLIFAITLO-PBHICJAKSA-N 2 2 334.464 1.426 20 0 EDADLP C[C@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)O1 ZINC000997732090 704623339 /nfs/dbraw/zinc/62/33/39/704623339.db2.gz BNFUJCXDMLCMMB-HOCLYGCPSA-N 2 2 334.464 1.738 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000997739197 704636617 /nfs/dbraw/zinc/63/66/17/704636617.db2.gz UCKPJPLOGQAASG-UHFFFAOYSA-N 2 2 334.449 1.222 20 0 EDADLP Cn1cc(C[NH2+]CC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000997815977 704736787 /nfs/dbraw/zinc/73/67/87/704736787.db2.gz FBLNLVYDMKHAPP-UHFFFAOYSA-N 2 2 330.436 1.104 20 0 EDADLP Cn1cc(C[NH2+]CC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000997815977 704736788 /nfs/dbraw/zinc/73/67/88/704736788.db2.gz FBLNLVYDMKHAPP-UHFFFAOYSA-N 2 2 330.436 1.104 20 0 EDADLP CCn1c(C)nnc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944946259 704799254 /nfs/dbraw/zinc/79/92/54/704799254.db2.gz WECFXDDAJYADJI-GDBMZVCRSA-N 2 2 348.495 1.029 20 0 EDADLP CCn1c(C)nnc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944946259 704799256 /nfs/dbraw/zinc/79/92/56/704799256.db2.gz WECFXDDAJYADJI-GDBMZVCRSA-N 2 2 348.495 1.029 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000944964100 704830676 /nfs/dbraw/zinc/83/06/76/704830676.db2.gz FYAOTHVDCSDTNG-DYVFJYSZSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC000944964100 704830682 /nfs/dbraw/zinc/83/06/82/704830682.db2.gz FYAOTHVDCSDTNG-DYVFJYSZSA-N 2 2 342.447 1.317 20 0 EDADLP Cc1nocc1C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000997950868 705077617 /nfs/dbraw/zinc/07/76/17/705077617.db2.gz DGSNFKDLWHIIAA-UHFFFAOYSA-N 2 2 331.420 1.598 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC000997960396 705093338 /nfs/dbraw/zinc/09/33/38/705093338.db2.gz LJTCJMNFTKFXBE-ROUUACIJSA-N 2 2 337.508 1.986 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC000997960396 705093340 /nfs/dbraw/zinc/09/33/40/705093340.db2.gz LJTCJMNFTKFXBE-ROUUACIJSA-N 2 2 337.508 1.986 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000997960396 705093342 /nfs/dbraw/zinc/09/33/42/705093342.db2.gz LJTCJMNFTKFXBE-ROUUACIJSA-N 2 2 337.508 1.986 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH+](CC=C(C)C)CC1 ZINC000997960396 705093344 /nfs/dbraw/zinc/09/33/44/705093344.db2.gz LJTCJMNFTKFXBE-ROUUACIJSA-N 2 2 337.508 1.986 20 0 EDADLP Cc1csc(C[NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)n1 ZINC000998113713 705364252 /nfs/dbraw/zinc/36/42/52/705364252.db2.gz ANGZDGQAZQTFDE-UHFFFAOYSA-N 2 2 333.461 1.746 20 0 EDADLP C[C@@H](CC(=O)N1CCC(C[NH2+]Cc2nncs2)CC1)n1cc[nH+]c1 ZINC000998122533 705375640 /nfs/dbraw/zinc/37/56/40/705375640.db2.gz AFFKQSXGASGZHQ-ZDUSSCGKSA-N 2 2 348.476 1.714 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998122684 705376062 /nfs/dbraw/zinc/37/60/62/705376062.db2.gz CKYLDARSPYXQEP-UHFFFAOYSA-N 2 2 346.435 1.418 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)o1 ZINC000998221777 705547718 /nfs/dbraw/zinc/54/77/18/705547718.db2.gz HFZBHMJANBAZPJ-GFCCVEGCSA-N 2 2 346.435 1.243 20 0 EDADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000998285917 705680806 /nfs/dbraw/zinc/68/08/06/705680806.db2.gz ZCVGYAJYOOUSIV-IBGZPJMESA-N 2 2 349.519 1.726 20 0 EDADLP Cc1nc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)oc1C ZINC000998296311 705698799 /nfs/dbraw/zinc/69/87/99/705698799.db2.gz DKBMFMRJOZJAPP-UHFFFAOYSA-N 2 2 331.420 1.516 20 0 EDADLP Cc1cnc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC000998296421 705698838 /nfs/dbraw/zinc/69/88/38/705698838.db2.gz HOBYTHVOGAAXJB-UHFFFAOYSA-N 2 2 328.420 1.010 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000998717997 706149722 /nfs/dbraw/zinc/14/97/22/706149722.db2.gz AETHSNYZRCHQDL-KBPBESRZSA-N 2 2 335.452 1.368 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000998717997 706149726 /nfs/dbraw/zinc/14/97/26/706149726.db2.gz AETHSNYZRCHQDL-KBPBESRZSA-N 2 2 335.452 1.368 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000998988390 706420744 /nfs/dbraw/zinc/42/07/44/706420744.db2.gz ISVCALCHPLCJDS-GRTSSRMGSA-N 2 2 328.416 1.792 20 0 EDADLP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999006867 706426184 /nfs/dbraw/zinc/42/61/84/706426184.db2.gz HGOGQRQRHSEOBR-VQCLRJIVSA-N 2 2 343.431 1.521 20 0 EDADLP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999035058 706449560 /nfs/dbraw/zinc/44/95/60/706449560.db2.gz LBDQYNZHVIMWOX-CQSZACIVSA-N 2 2 330.436 1.340 20 0 EDADLP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)c3cc(C[NH+](C)C)on3)C2)o1 ZINC000999026330 706463841 /nfs/dbraw/zinc/46/38/41/706463841.db2.gz HISOIIHPLXMWMB-UHFFFAOYSA-N 2 2 347.419 1.425 20 0 EDADLP Cc1cnc([C@H](C)[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999124477 706548787 /nfs/dbraw/zinc/54/87/87/706548787.db2.gz CTYOKWVUBYFKHI-NFOMZHRRSA-N 2 2 331.420 1.828 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cn3c[nH+]cc3C)C2)o1 ZINC000999124479 706548809 /nfs/dbraw/zinc/54/88/09/706548809.db2.gz CTYOKWVUBYFKHI-WLYUNCDWSA-N 2 2 331.420 1.828 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)o1 ZINC000999345824 706857621 /nfs/dbraw/zinc/85/76/21/706857621.db2.gz BANZNPOSKRSCMI-JKSUJKDBSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)o1 ZINC000999345824 706857624 /nfs/dbraw/zinc/85/76/24/706857624.db2.gz BANZNPOSKRSCMI-JKSUJKDBSA-N 2 2 349.479 1.437 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999534004 707034734 /nfs/dbraw/zinc/03/47/34/707034734.db2.gz BVZXTALWWBBRHT-KGLIPLIRSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1cccn2cc(CC(=O)N(C)C3CC([NH2+]C[C@H](C)O)C3)[nH+]c12 ZINC000999559971 707057314 /nfs/dbraw/zinc/05/73/14/707057314.db2.gz METYEDBSXFMTTL-HLIUYOAVSA-N 2 2 330.432 1.145 20 0 EDADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999605086 707069522 /nfs/dbraw/zinc/06/95/22/707069522.db2.gz FHQGLVUUVJLXKB-UHFFFAOYSA-N 2 2 333.823 1.780 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)s1 ZINC000999598661 707101517 /nfs/dbraw/zinc/10/15/17/707101517.db2.gz WPONKVMNAURSSE-CQSZACIVSA-N 2 2 349.504 1.556 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999688434 707242821 /nfs/dbraw/zinc/24/28/21/707242821.db2.gz MIAJDPZHWGDLCK-UHFFFAOYSA-N 2 2 347.850 1.790 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)s1 ZINC001033266751 707294753 /nfs/dbraw/zinc/29/47/53/707294753.db2.gz RDWKXJRBBMOHBS-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)s1 ZINC001033266751 707294755 /nfs/dbraw/zinc/29/47/55/707294755.db2.gz RDWKXJRBBMOHBS-AWEZNQCLSA-N 2 2 333.461 1.689 20 0 EDADLP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999778557 707339129 /nfs/dbraw/zinc/33/91/29/707339129.db2.gz YCMCGNKOXXQSHL-QGZVFWFLSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999778527 707339502 /nfs/dbraw/zinc/33/95/02/707339502.db2.gz XWXXZBUWLJCYMR-KRWDZBQOSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001033186088 707376424 /nfs/dbraw/zinc/37/64/24/707376424.db2.gz SMZYVELUXMOLIT-KBAYOESNSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001033186088 707376429 /nfs/dbraw/zinc/37/64/29/707376429.db2.gz SMZYVELUXMOLIT-KBAYOESNSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001033186088 707376433 /nfs/dbraw/zinc/37/64/33/707376433.db2.gz SMZYVELUXMOLIT-KBAYOESNSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001033186088 707376436 /nfs/dbraw/zinc/37/64/36/707376436.db2.gz SMZYVELUXMOLIT-KBAYOESNSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)sn1 ZINC001033194073 707430019 /nfs/dbraw/zinc/43/00/19/707430019.db2.gz BCXMMHHRVYFGJB-GOEBONIOSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)sn1 ZINC001033194073 707430025 /nfs/dbraw/zinc/43/00/25/707430025.db2.gz BCXMMHHRVYFGJB-GOEBONIOSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)sn1 ZINC001033194073 707430038 /nfs/dbraw/zinc/43/00/38/707430038.db2.gz BCXMMHHRVYFGJB-GOEBONIOSA-N 2 2 336.505 1.969 20 0 EDADLP C[C@H]([NH2+]Cc1cnns1)[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001004849017 707450784 /nfs/dbraw/zinc/45/07/84/707450784.db2.gz QUQNZFIIILEUSD-GXTWGEPZSA-N 2 2 348.476 1.753 20 0 EDADLP CCCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)no1 ZINC000999828034 707456681 /nfs/dbraw/zinc/45/66/81/707456681.db2.gz AWMDTAHLWGJQIS-NFOMZHRRSA-N 2 2 349.479 1.443 20 0 EDADLP CCCCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)no1 ZINC000999828034 707456683 /nfs/dbraw/zinc/45/66/83/707456683.db2.gz AWMDTAHLWGJQIS-NFOMZHRRSA-N 2 2 349.479 1.443 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033206519 707636647 /nfs/dbraw/zinc/63/66/47/707636647.db2.gz KIUMPCFIGSELNI-DLBZAZTESA-N 2 2 346.475 1.405 20 0 EDADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033206519 707636653 /nfs/dbraw/zinc/63/66/53/707636653.db2.gz KIUMPCFIGSELNI-DLBZAZTESA-N 2 2 346.475 1.405 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001033363153 707653122 /nfs/dbraw/zinc/65/31/22/707653122.db2.gz VLUHDYBLCUVMKQ-HRCADAONSA-N 2 2 348.491 2.000 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)o1 ZINC001033363153 707653124 /nfs/dbraw/zinc/65/31/24/707653124.db2.gz VLUHDYBLCUVMKQ-HRCADAONSA-N 2 2 348.491 2.000 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001033363153 707653127 /nfs/dbraw/zinc/65/31/27/707653127.db2.gz VLUHDYBLCUVMKQ-HRCADAONSA-N 2 2 348.491 2.000 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)o1 ZINC001033363153 707653131 /nfs/dbraw/zinc/65/31/31/707653131.db2.gz VLUHDYBLCUVMKQ-HRCADAONSA-N 2 2 348.491 2.000 20 0 EDADLP C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004946045 707717170 /nfs/dbraw/zinc/71/71/70/707717170.db2.gz KLWIOGVMNGJSOZ-CZUORRHYSA-N 2 2 330.436 1.245 20 0 EDADLP COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)ccn1 ZINC001032731026 707731411 /nfs/dbraw/zinc/73/14/11/707731411.db2.gz XARJMNVTTJISLK-ULQDDVLXSA-N 2 2 344.459 1.217 20 0 EDADLP COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[NH+](C)C2)ccn1 ZINC001032731026 707731412 /nfs/dbraw/zinc/73/14/12/707731412.db2.gz XARJMNVTTJISLK-ULQDDVLXSA-N 2 2 344.459 1.217 20 0 EDADLP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001032731026 707731415 /nfs/dbraw/zinc/73/14/15/707731415.db2.gz XARJMNVTTJISLK-ULQDDVLXSA-N 2 2 344.459 1.217 20 0 EDADLP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001032731026 707731417 /nfs/dbraw/zinc/73/14/17/707731417.db2.gz XARJMNVTTJISLK-ULQDDVLXSA-N 2 2 344.459 1.217 20 0 EDADLP C[C@@H]([NH2+]Cc1cncs1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004955533 707747016 /nfs/dbraw/zinc/74/70/16/707747016.db2.gz PTEUVLRTBXUYFS-DOMZBBRYSA-N 2 2 333.461 1.968 20 0 EDADLP Cc1oncc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004959799 707772966 /nfs/dbraw/zinc/77/29/66/707772966.db2.gz YTEOOCUPBGRHIW-WBMJQRKESA-N 2 2 331.420 1.808 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1C ZINC001033416194 707794787 /nfs/dbraw/zinc/79/47/87/707794787.db2.gz OQDXKWHSWVORNZ-RHSMWYFYSA-N 2 2 333.480 1.246 20 0 EDADLP Cc1cc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1C ZINC001033416194 707794789 /nfs/dbraw/zinc/79/47/89/707794789.db2.gz OQDXKWHSWVORNZ-RHSMWYFYSA-N 2 2 333.480 1.246 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)nn1C ZINC001033416194 707794791 /nfs/dbraw/zinc/79/47/91/707794791.db2.gz OQDXKWHSWVORNZ-RHSMWYFYSA-N 2 2 333.480 1.246 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)nn1C ZINC001033416194 707794792 /nfs/dbraw/zinc/79/47/92/707794792.db2.gz OQDXKWHSWVORNZ-RHSMWYFYSA-N 2 2 333.480 1.246 20 0 EDADLP Cc1nccnc1C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225274 707849970 /nfs/dbraw/zinc/84/99/70/707849970.db2.gz DCENLYJXMQDDQT-INIZCTEOSA-N 2 2 343.475 1.446 20 0 EDADLP Cc1nccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225274 707849973 /nfs/dbraw/zinc/84/99/73/707849973.db2.gz DCENLYJXMQDDQT-INIZCTEOSA-N 2 2 343.475 1.446 20 0 EDADLP CN(C)c1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)ccn1 ZINC001033451892 707894003 /nfs/dbraw/zinc/89/40/03/707894003.db2.gz GUICHRWPAAZBGZ-MRXNPFEDSA-N 2 2 342.447 1.146 20 0 EDADLP CN(C)c1cc(C[N@H+]2CC[C@@H](N(C)C(=O)Cc3c[nH+]c[nH]3)C2)ccn1 ZINC001033451892 707894004 /nfs/dbraw/zinc/89/40/04/707894004.db2.gz GUICHRWPAAZBGZ-MRXNPFEDSA-N 2 2 342.447 1.146 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000921749051 707969772 /nfs/dbraw/zinc/96/97/72/707969772.db2.gz BRIRMJGSMGZNIB-QAPCUYQASA-N 2 2 341.459 1.809 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000921749051 707969775 /nfs/dbraw/zinc/96/97/75/707969775.db2.gz BRIRMJGSMGZNIB-QAPCUYQASA-N 2 2 341.459 1.809 20 0 EDADLP CCc1onc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032782954 707973211 /nfs/dbraw/zinc/97/32/11/707973211.db2.gz OXBZDYKHEFZZIC-GJZGRUSLSA-N 2 2 332.448 1.426 20 0 EDADLP CCc1onc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032782954 707973214 /nfs/dbraw/zinc/97/32/14/707973214.db2.gz OXBZDYKHEFZZIC-GJZGRUSLSA-N 2 2 332.448 1.426 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnccc1C ZINC001032783154 707973608 /nfs/dbraw/zinc/97/36/08/707973608.db2.gz ULMFOYGTKRUGAY-IRXDYDNUSA-N 2 2 325.416 1.380 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnccc1C ZINC001032783154 707973611 /nfs/dbraw/zinc/97/36/11/707973611.db2.gz ULMFOYGTKRUGAY-IRXDYDNUSA-N 2 2 325.416 1.380 20 0 EDADLP Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCCCC2)o1 ZINC001032801137 708082314 /nfs/dbraw/zinc/08/23/14/708082314.db2.gz MBHRYJBLPDSUKX-HOTGVXAUSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCCCC2)o1 ZINC001032801137 708082315 /nfs/dbraw/zinc/08/23/15/708082315.db2.gz MBHRYJBLPDSUKX-HOTGVXAUSA-N 2 2 332.448 1.644 20 0 EDADLP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC001001142691 708106549 /nfs/dbraw/zinc/10/65/49/708106549.db2.gz AXEIESWTVJDYAA-SUMWQHHRSA-N 2 2 332.448 1.429 20 0 EDADLP Cc1cc(C[NH+]2CC=C(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)no1 ZINC001001142691 708106553 /nfs/dbraw/zinc/10/65/53/708106553.db2.gz AXEIESWTVJDYAA-SUMWQHHRSA-N 2 2 332.448 1.429 20 0 EDADLP Cc1cc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)no1 ZINC001001142691 708106556 /nfs/dbraw/zinc/10/65/56/708106556.db2.gz AXEIESWTVJDYAA-SUMWQHHRSA-N 2 2 332.448 1.429 20 0 EDADLP Cc1cc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)no1 ZINC001001142691 708106559 /nfs/dbraw/zinc/10/65/59/708106559.db2.gz AXEIESWTVJDYAA-SUMWQHHRSA-N 2 2 332.448 1.429 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005181976 708127471 /nfs/dbraw/zinc/12/74/71/708127471.db2.gz BUQYXAPZKAYURD-QGZVFWFLSA-N 2 2 348.495 1.123 20 0 EDADLP CCn1nc(C)c(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001005181976 708127472 /nfs/dbraw/zinc/12/74/72/708127472.db2.gz BUQYXAPZKAYURD-QGZVFWFLSA-N 2 2 348.495 1.123 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)cs1 ZINC001005185531 708128137 /nfs/dbraw/zinc/12/81/37/708128137.db2.gz SIAHSYIWMJVRQZ-MRXNPFEDSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1nc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@H+]3C)CC2)cs1 ZINC001005185531 708128139 /nfs/dbraw/zinc/12/81/39/708128139.db2.gz SIAHSYIWMJVRQZ-MRXNPFEDSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1cncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC001005209633 708235450 /nfs/dbraw/zinc/23/54/50/708235450.db2.gz NPWSYHGFFMGRLF-SFHVURJKSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1cncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC001005209633 708235451 /nfs/dbraw/zinc/23/54/51/708235451.db2.gz NPWSYHGFFMGRLF-SFHVURJKSA-N 2 2 346.475 1.143 20 0 EDADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033592362 708290705 /nfs/dbraw/zinc/29/07/05/708290705.db2.gz FZBFNBFBBWNMQZ-TZMCWYRMSA-N 2 2 333.436 1.068 20 0 EDADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001033592362 708290706 /nfs/dbraw/zinc/29/07/06/708290706.db2.gz FZBFNBFBBWNMQZ-TZMCWYRMSA-N 2 2 333.436 1.068 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033596524 708301458 /nfs/dbraw/zinc/30/14/58/708301458.db2.gz ZUWSUDHKVGOONM-GDBMZVCRSA-N 2 2 334.464 1.310 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033596524 708301462 /nfs/dbraw/zinc/30/14/62/708301462.db2.gz ZUWSUDHKVGOONM-GDBMZVCRSA-N 2 2 334.464 1.310 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001033585410 708312285 /nfs/dbraw/zinc/31/22/85/708312285.db2.gz ILNRKYGXQMBGJY-ZDUSSCGKSA-N 2 2 345.472 1.951 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001033585410 708312289 /nfs/dbraw/zinc/31/22/89/708312289.db2.gz ILNRKYGXQMBGJY-ZDUSSCGKSA-N 2 2 345.472 1.951 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001033665755 708449006 /nfs/dbraw/zinc/44/90/06/708449006.db2.gz QSNJVDQWHGBEJO-KRWDZBQOSA-N 2 2 327.432 1.628 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033665755 708449009 /nfs/dbraw/zinc/44/90/09/708449009.db2.gz QSNJVDQWHGBEJO-KRWDZBQOSA-N 2 2 327.432 1.628 20 0 EDADLP CC(C)c1ocnc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663229 708480005 /nfs/dbraw/zinc/48/00/05/708480005.db2.gz UQBKDJVBFYSRBL-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1ocnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663229 708480007 /nfs/dbraw/zinc/48/00/07/708480007.db2.gz UQBKDJVBFYSRBL-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033663229 708480010 /nfs/dbraw/zinc/48/00/10/708480010.db2.gz UQBKDJVBFYSRBL-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC(C)c1ocnc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033663229 708480014 /nfs/dbraw/zinc/48/00/14/708480014.db2.gz UQBKDJVBFYSRBL-GJZGRUSLSA-N 2 2 334.464 1.782 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3F)C2)C1 ZINC001033678403 708487751 /nfs/dbraw/zinc/48/77/51/708487751.db2.gz FULPABLCJDBAOR-WMZOPIPTSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3F)C2)C1 ZINC001033678403 708487754 /nfs/dbraw/zinc/48/77/54/708487754.db2.gz FULPABLCJDBAOR-WMZOPIPTSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3F)C2)C1 ZINC001033678403 708487756 /nfs/dbraw/zinc/48/77/56/708487756.db2.gz FULPABLCJDBAOR-WMZOPIPTSA-N 2 2 349.450 1.579 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3F)C2)C1 ZINC001033678403 708487757 /nfs/dbraw/zinc/48/77/57/708487757.db2.gz FULPABLCJDBAOR-WMZOPIPTSA-N 2 2 349.450 1.579 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033684128 708496736 /nfs/dbraw/zinc/49/67/36/708496736.db2.gz DHRKVLKTSKPJPA-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001033684128 708496740 /nfs/dbraw/zinc/49/67/40/708496740.db2.gz DHRKVLKTSKPJPA-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001033684128 708496744 /nfs/dbraw/zinc/49/67/44/708496744.db2.gz DHRKVLKTSKPJPA-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001033684128 708496746 /nfs/dbraw/zinc/49/67/46/708496746.db2.gz DHRKVLKTSKPJPA-QZTJIDSGSA-N 2 2 345.491 1.692 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033684717 708498076 /nfs/dbraw/zinc/49/80/76/708498076.db2.gz HYVYVIKIEOVQOQ-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001033684717 708498078 /nfs/dbraw/zinc/49/80/78/708498078.db2.gz HYVYVIKIEOVQOQ-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001033684717 708498081 /nfs/dbraw/zinc/49/80/81/708498081.db2.gz HYVYVIKIEOVQOQ-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001033684717 708498082 /nfs/dbraw/zinc/49/80/82/708498082.db2.gz HYVYVIKIEOVQOQ-NVXWUHKLSA-N 2 2 333.480 1.327 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033773919 708672542 /nfs/dbraw/zinc/67/25/42/708672542.db2.gz HJMFOSLULACVPA-GJZGRUSLSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033773919 708672544 /nfs/dbraw/zinc/67/25/44/708672544.db2.gz HJMFOSLULACVPA-GJZGRUSLSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2nc(C)cs2)C1 ZINC001033773919 708672546 /nfs/dbraw/zinc/67/25/46/708672546.db2.gz HJMFOSLULACVPA-GJZGRUSLSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2nc(C)cs2)C1 ZINC001033773919 708672548 /nfs/dbraw/zinc/67/25/48/708672548.db2.gz HJMFOSLULACVPA-GJZGRUSLSA-N 2 2 336.505 1.969 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001005408342 708916090 /nfs/dbraw/zinc/91/60/90/708916090.db2.gz XGZDBBRKVMWWDG-XJKCOSOUSA-N 2 2 348.495 1.437 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001005408342 708916094 /nfs/dbraw/zinc/91/60/94/708916094.db2.gz XGZDBBRKVMWWDG-XJKCOSOUSA-N 2 2 348.495 1.437 20 0 EDADLP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+]([C@H](C)C(=O)NC)C1 ZINC001033889455 708970770 /nfs/dbraw/zinc/97/07/70/708970770.db2.gz YVJFVADQWRZHDJ-HIFRSBDPSA-N 2 2 343.431 1.005 20 0 EDADLP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+]([C@H](C)C(=O)NC)C1 ZINC001033889455 708970773 /nfs/dbraw/zinc/97/07/73/708970773.db2.gz YVJFVADQWRZHDJ-HIFRSBDPSA-N 2 2 343.431 1.005 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(OC)c3)C2)C1 ZINC001016307037 708975730 /nfs/dbraw/zinc/97/57/30/708975730.db2.gz RXBKWIVIHZUGJY-FUHWJXTLSA-N 2 2 347.459 1.106 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(OC)c3)C2)C1 ZINC001016307037 708975732 /nfs/dbraw/zinc/97/57/32/708975732.db2.gz RXBKWIVIHZUGJY-FUHWJXTLSA-N 2 2 347.459 1.106 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(OC)c3)C2)C1 ZINC001016307037 708975734 /nfs/dbraw/zinc/97/57/34/708975734.db2.gz RXBKWIVIHZUGJY-FUHWJXTLSA-N 2 2 347.459 1.106 20 0 EDADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(OC)c3)C2)C1 ZINC001016307037 708975736 /nfs/dbraw/zinc/97/57/36/708975736.db2.gz RXBKWIVIHZUGJY-FUHWJXTLSA-N 2 2 347.459 1.106 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001002472554 709005665 /nfs/dbraw/zinc/00/56/65/709005665.db2.gz BXGRHHZZPPHQTO-GXTWGEPZSA-N 2 2 335.452 1.368 20 0 EDADLP CCc1nnc([C@H](C)[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001002472554 709005668 /nfs/dbraw/zinc/00/56/68/709005668.db2.gz BXGRHHZZPPHQTO-GXTWGEPZSA-N 2 2 335.452 1.368 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2nccc(C)n2)C1 ZINC001033941912 709149025 /nfs/dbraw/zinc/14/90/25/709149025.db2.gz UVWDBTSEKNZOSJ-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC001033941912 709149026 /nfs/dbraw/zinc/14/90/26/709149026.db2.gz UVWDBTSEKNZOSJ-QGZVFWFLSA-N 2 2 345.491 1.550 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001034014671 709229866 /nfs/dbraw/zinc/22/98/66/709229866.db2.gz BORGRLPWQKNAEA-MRXNPFEDSA-N 2 2 348.516 1.970 20 0 EDADLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001034014671 709229868 /nfs/dbraw/zinc/22/98/68/709229868.db2.gz BORGRLPWQKNAEA-MRXNPFEDSA-N 2 2 348.516 1.970 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001002800541 709414706 /nfs/dbraw/zinc/41/47/06/709414706.db2.gz GGABZBYIILURSD-PBHICJAKSA-N 2 2 332.448 1.630 20 0 EDADLP O=C(NC1CC[NH+](Cc2ccon2)CC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001002800541 709414708 /nfs/dbraw/zinc/41/47/08/709414708.db2.gz GGABZBYIILURSD-PBHICJAKSA-N 2 2 332.448 1.630 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)oc1C ZINC001002832999 709443735 /nfs/dbraw/zinc/44/37/35/709443735.db2.gz NOBCPYHFFKEGSF-KRWDZBQOSA-N 2 2 346.475 1.714 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cs1 ZINC001002829323 709446715 /nfs/dbraw/zinc/44/67/15/709446715.db2.gz SRCWMRLKTDDISQ-KRWDZBQOSA-N 2 2 348.516 1.874 20 0 EDADLP O=C(N[C@@H]1CCCC[N@H+](Cc2ccon2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034208168 709556544 /nfs/dbraw/zinc/55/65/44/709556544.db2.gz RFFMNIBGELXIHG-NVXWUHKLSA-N 2 2 332.448 1.487 20 0 EDADLP O=C(N[C@@H]1CCCC[N@@H+](Cc2ccon2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034208168 709556547 /nfs/dbraw/zinc/55/65/47/709556547.db2.gz RFFMNIBGELXIHG-NVXWUHKLSA-N 2 2 332.448 1.487 20 0 EDADLP Cn1cncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034278019 709693227 /nfs/dbraw/zinc/69/32/27/709693227.db2.gz VKBGUBDIZKRXCJ-NVXWUHKLSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cncc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034278019 709693229 /nfs/dbraw/zinc/69/32/29/709693229.db2.gz VKBGUBDIZKRXCJ-NVXWUHKLSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cncc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034278019 709693230 /nfs/dbraw/zinc/69/32/30/709693230.db2.gz VKBGUBDIZKRXCJ-NVXWUHKLSA-N 2 2 333.480 1.375 20 0 EDADLP Cn1cncc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034278019 709693232 /nfs/dbraw/zinc/69/32/32/709693232.db2.gz VKBGUBDIZKRXCJ-NVXWUHKLSA-N 2 2 333.480 1.375 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001034461194 710027513 /nfs/dbraw/zinc/02/75/13/710027513.db2.gz IQXOQNMLKOYSPB-MRXNPFEDSA-N 2 2 348.495 1.018 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001034461194 710027520 /nfs/dbraw/zinc/02/75/20/710027520.db2.gz IQXOQNMLKOYSPB-MRXNPFEDSA-N 2 2 348.495 1.018 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001003147102 710045882 /nfs/dbraw/zinc/04/58/82/710045882.db2.gz UOGHUSFAANGVCD-GDBMZVCRSA-N 2 2 349.504 1.636 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001003147102 710045885 /nfs/dbraw/zinc/04/58/85/710045885.db2.gz UOGHUSFAANGVCD-GDBMZVCRSA-N 2 2 349.504 1.636 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC001003210359 710121162 /nfs/dbraw/zinc/12/11/62/710121162.db2.gz PWUBDNJYULOYKO-GJZGRUSLSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NC1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC001003210359 710121164 /nfs/dbraw/zinc/12/11/64/710121164.db2.gz PWUBDNJYULOYKO-GJZGRUSLSA-N 2 2 346.475 1.440 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CCCC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001034483150 710127071 /nfs/dbraw/zinc/12/70/71/710127071.db2.gz ARDIXBJPOIXNSN-OAHLLOKOSA-N 2 2 345.447 1.738 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CCCC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)o1 ZINC001034483150 710127072 /nfs/dbraw/zinc/12/70/72/710127072.db2.gz ARDIXBJPOIXNSN-OAHLLOKOSA-N 2 2 345.447 1.738 20 0 EDADLP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001003194742 710130014 /nfs/dbraw/zinc/13/00/14/710130014.db2.gz VYGRFANCXUNLBO-GFCCVEGCSA-N 2 2 344.381 1.979 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001034484762 710130109 /nfs/dbraw/zinc/13/01/09/710130109.db2.gz NSZPXERGSKWGBI-DLBZAZTESA-N 2 2 348.491 1.750 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC001034484762 710130113 /nfs/dbraw/zinc/13/01/13/710130113.db2.gz NSZPXERGSKWGBI-DLBZAZTESA-N 2 2 348.491 1.750 20 0 EDADLP CCc1cnc(C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC001003243506 710166854 /nfs/dbraw/zinc/16/68/54/710166854.db2.gz BALPHWQARCMSDH-UHFFFAOYSA-N 2 2 346.475 1.946 20 0 EDADLP CCc1cnc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034524771 710174015 /nfs/dbraw/zinc/17/40/15/710174015.db2.gz HSGZHLIZTZSZKW-LSDHHAIUSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[N@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034524771 710174016 /nfs/dbraw/zinc/17/40/16/710174016.db2.gz HSGZHLIZTZSZKW-LSDHHAIUSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001034524771 710174017 /nfs/dbraw/zinc/17/40/17/710174017.db2.gz HSGZHLIZTZSZKW-LSDHHAIUSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1cnc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034524771 710174018 /nfs/dbraw/zinc/17/40/18/710174018.db2.gz HSGZHLIZTZSZKW-LSDHHAIUSA-N 2 2 334.464 1.659 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034527786 710181272 /nfs/dbraw/zinc/18/12/72/710181272.db2.gz IAAGPEFBLIIQHE-QGZVFWFLSA-N 2 2 331.464 1.352 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034527786 710181274 /nfs/dbraw/zinc/18/12/74/710181274.db2.gz IAAGPEFBLIIQHE-QGZVFWFLSA-N 2 2 331.464 1.352 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2cncn2C)C1 ZINC001034529619 710185201 /nfs/dbraw/zinc/18/52/01/710185201.db2.gz KRKMCQLJWACDTC-HNNXBMFYSA-N 2 2 330.436 1.096 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCCC[N@H+](Cc2cncn2C)C1 ZINC001034529619 710185203 /nfs/dbraw/zinc/18/52/03/710185203.db2.gz KRKMCQLJWACDTC-HNNXBMFYSA-N 2 2 330.436 1.096 20 0 EDADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CCF)CC2)[nH]n1 ZINC001034649795 710326149 /nfs/dbraw/zinc/32/61/49/710326149.db2.gz URKKBZMMUVVIQP-XEZPLFJOSA-N 2 2 337.443 1.777 20 0 EDADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CCF)CC2)[nH]n1 ZINC001034649795 710326150 /nfs/dbraw/zinc/32/61/50/710326150.db2.gz URKKBZMMUVVIQP-XEZPLFJOSA-N 2 2 337.443 1.777 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+](Cc2ncccn2)CC1)[NH+]1CCCC1 ZINC001003420412 710334829 /nfs/dbraw/zinc/33/48/29/710334829.db2.gz QYPRNWFNQBOBGN-UHFFFAOYSA-N 2 2 331.464 1.432 20 0 EDADLP CCn1ccnc1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003544249 710412337 /nfs/dbraw/zinc/41/23/37/710412337.db2.gz MDWBKQNHQWQNDA-UHFFFAOYSA-N 2 2 333.480 1.325 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003635417 710462817 /nfs/dbraw/zinc/46/28/17/710462817.db2.gz PRXFRFOHNLXDCV-QAPCUYQASA-N 2 2 347.507 1.742 20 0 EDADLP CC(C)n1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003635417 710462818 /nfs/dbraw/zinc/46/28/18/710462818.db2.gz PRXFRFOHNLXDCV-QAPCUYQASA-N 2 2 347.507 1.742 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC001003700928 710495102 /nfs/dbraw/zinc/49/51/02/710495102.db2.gz JRJCEULSHAFKCF-QGZVFWFLSA-N 2 2 334.464 1.474 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001005604574 710684697 /nfs/dbraw/zinc/68/46/97/710684697.db2.gz CFQZXZPPKINMAM-HUUCEWRRSA-N 2 2 334.464 1.403 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001003846552 710691419 /nfs/dbraw/zinc/69/14/19/710691419.db2.gz POQJKBDIWREENZ-UHFFFAOYSA-N 2 2 328.416 1.612 20 0 EDADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001005607907 710692618 /nfs/dbraw/zinc/69/26/18/710692618.db2.gz UQSMUDZDMSWVHN-HUUCEWRRSA-N 2 2 334.464 1.403 20 0 EDADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001005616010 710723862 /nfs/dbraw/zinc/72/38/62/710723862.db2.gz GDDOXRYJWWGJHX-LSDHHAIUSA-N 2 2 334.464 1.403 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2nc(C)no2)CC1 ZINC001034693260 710783721 /nfs/dbraw/zinc/78/37/21/710783721.db2.gz VQTWGDCOUYNPDM-HDJSIYSDSA-N 2 2 332.408 1.100 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c(C)s1 ZINC001032960029 710966746 /nfs/dbraw/zinc/96/67/46/710966746.db2.gz LQECGUDWXJWIGC-HOCLYGCPSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c(C)s1 ZINC001032960029 710966752 /nfs/dbraw/zinc/96/67/52/710966752.db2.gz LQECGUDWXJWIGC-HOCLYGCPSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)s1 ZINC001032960029 710966758 /nfs/dbraw/zinc/96/67/58/710966758.db2.gz LQECGUDWXJWIGC-HOCLYGCPSA-N 2 2 336.505 1.887 20 0 EDADLP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)s1 ZINC001032960029 710966763 /nfs/dbraw/zinc/96/67/63/710966763.db2.gz LQECGUDWXJWIGC-HOCLYGCPSA-N 2 2 336.505 1.887 20 0 EDADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001034768564 711027347 /nfs/dbraw/zinc/02/73/47/711027347.db2.gz IOKMEMVTGSCUBO-XIRDDKMYSA-N 2 2 342.443 1.884 20 0 EDADLP C[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)CCO1 ZINC001034764925 711041585 /nfs/dbraw/zinc/04/15/85/711041585.db2.gz YQHRIVCIXUKUJC-VGWMRTNUSA-N 2 2 334.464 1.784 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001034778332 711079681 /nfs/dbraw/zinc/07/96/81/711079681.db2.gz RHPMGMPNLJKQIG-FPXQBCRKSA-N 2 2 346.475 1.406 20 0 EDADLP COC[C@H](C)[NH+]1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001005713285 711098792 /nfs/dbraw/zinc/09/87/92/711098792.db2.gz PJVOSHYFTUGUQP-AWEZNQCLSA-N 2 2 330.432 1.906 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001034801692 711142434 /nfs/dbraw/zinc/14/24/34/711142434.db2.gz PEPKAEGRSFPOST-WKILWMFISA-N 2 2 344.463 1.878 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)C1CC[NH+](Cc2snnc2C)CC1 ZINC001005719609 711143747 /nfs/dbraw/zinc/14/37/47/711143747.db2.gz RGPFAWSYCLRTNA-UHFFFAOYSA-N 2 2 348.476 1.474 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001003982821 711180728 /nfs/dbraw/zinc/18/07/28/711180728.db2.gz BGMKPLDZHJINQD-GFCCVEGCSA-N 2 2 333.436 1.115 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001034884037 711286916 /nfs/dbraw/zinc/28/69/16/711286916.db2.gz ZYPPVHSDKUCWBE-KGLIPLIRSA-N 2 2 334.468 1.103 20 0 EDADLP CC(C)c1nnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001034884037 711286920 /nfs/dbraw/zinc/28/69/20/711286920.db2.gz ZYPPVHSDKUCWBE-KGLIPLIRSA-N 2 2 334.468 1.103 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001034891309 711347270 /nfs/dbraw/zinc/34/72/70/711347270.db2.gz QSVLDJLDHUBABS-IAGOWNOFSA-N 2 2 335.492 1.478 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001034891309 711347272 /nfs/dbraw/zinc/34/72/72/711347272.db2.gz QSVLDJLDHUBABS-IAGOWNOFSA-N 2 2 335.492 1.478 20 0 EDADLP Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC001034891554 711347596 /nfs/dbraw/zinc/34/75/96/711347596.db2.gz WDTVFBFUHXYUEQ-SJLPKXTDSA-N 2 2 349.450 1.545 20 0 EDADLP Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC001034891554 711347600 /nfs/dbraw/zinc/34/76/00/711347600.db2.gz WDTVFBFUHXYUEQ-SJLPKXTDSA-N 2 2 349.450 1.545 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034952551 711415597 /nfs/dbraw/zinc/41/55/97/711415597.db2.gz AEPIVCARNYDAOH-CABCVRRESA-N 2 2 337.493 1.493 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001034952551 711415600 /nfs/dbraw/zinc/41/56/00/711415600.db2.gz AEPIVCARNYDAOH-CABCVRRESA-N 2 2 337.493 1.493 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001034955717 711424071 /nfs/dbraw/zinc/42/40/71/711424071.db2.gz JCYLXZJMESRXOI-MRXNPFEDSA-N 2 2 327.432 1.827 20 0 EDADLP CC(C)c1noc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)n1 ZINC001034956980 711427891 /nfs/dbraw/zinc/42/78/91/711427891.db2.gz HDGYFLJRCDKICP-CQSZACIVSA-N 2 2 349.479 1.758 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC001004585646 712019369 /nfs/dbraw/zinc/01/93/69/712019369.db2.gz IOFSJAVGGBIXHJ-GOSISDBHSA-N 2 2 349.519 1.964 20 0 EDADLP CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC001004585646 712019371 /nfs/dbraw/zinc/01/93/71/712019371.db2.gz IOFSJAVGGBIXHJ-GOSISDBHSA-N 2 2 349.519 1.964 20 0 EDADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645305 712134538 /nfs/dbraw/zinc/13/45/38/712134538.db2.gz QUGZGZAQFHHACU-ZACQAIPSSA-N 2 2 346.475 1.262 20 0 EDADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]2C1 ZINC000946645305 712134541 /nfs/dbraw/zinc/13/45/41/712134541.db2.gz QUGZGZAQFHHACU-ZACQAIPSSA-N 2 2 346.475 1.262 20 0 EDADLP O=C1c2ccccc2C(=O)N1CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051951904 214109876 /nfs/dbraw/zinc/10/98/76/214109876.db2.gz QDXMBBOAHWMZJG-UHFFFAOYSA-N 2 2 327.428 1.843 20 0 EDADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1cccc(F)c1 ZINC000051958037 214110082 /nfs/dbraw/zinc/11/00/82/214110082.db2.gz XGFQOKFGLYLPMA-UHFFFAOYSA-N 2 2 335.423 1.808 20 0 EDADLP CN(CCC[NH+](C)C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000557664788 306232704 /nfs/dbraw/zinc/23/27/04/306232704.db2.gz NWRIMJMNVXSHSS-GOSISDBHSA-N 2 2 332.492 1.385 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)CC[NH2+]C(C)C)CC2)c1 ZINC000558166325 306235916 /nfs/dbraw/zinc/23/59/16/306235916.db2.gz COUOTJVMDNRESE-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000173144575 282223664 /nfs/dbraw/zinc/22/36/64/282223664.db2.gz UPERLCMGYYOXSW-WMZOPIPTSA-N 2 2 339.524 1.972 20 0 EDADLP Cn1nccc1C1=CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000560485903 306271189 /nfs/dbraw/zinc/27/11/89/306271189.db2.gz FNVLMMGSQNWQNN-UHFFFAOYSA-N 2 2 343.475 1.252 20 0 EDADLP Cn1nccc1C1=CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000560485903 306271190 /nfs/dbraw/zinc/27/11/90/306271190.db2.gz FNVLMMGSQNWQNN-UHFFFAOYSA-N 2 2 343.475 1.252 20 0 EDADLP CCc1cc(N2C[C@@H](O)[C@H]([N@H+](CC)Cc3nnc(C)o3)C2)nc(C)[nH+]1 ZINC000434180818 539559841 /nfs/dbraw/zinc/55/98/41/539559841.db2.gz DYZJOZMBDIAFSL-HUUCEWRRSA-N 2 2 346.435 1.110 20 0 EDADLP CCc1cc(N2C[C@@H](O)[C@H]([N@@H+](CC)Cc3nnc(C)o3)C2)nc(C)[nH+]1 ZINC000434180818 539559846 /nfs/dbraw/zinc/55/98/46/539559846.db2.gz DYZJOZMBDIAFSL-HUUCEWRRSA-N 2 2 346.435 1.110 20 0 EDADLP COc1c(C)c[nH+]c(CN2CC[NH+](CC(=O)NC(C)C)CC2)c1C ZINC000067226785 215125708 /nfs/dbraw/zinc/12/57/08/215125708.db2.gz MZEJDTMSNQEKHW-UHFFFAOYSA-N 2 2 334.464 1.349 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000339236020 539701330 /nfs/dbraw/zinc/70/13/30/539701330.db2.gz TVQINEAPPBWQGQ-KRWDZBQOSA-N 2 2 330.476 1.990 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000339236020 539701334 /nfs/dbraw/zinc/70/13/34/539701334.db2.gz TVQINEAPPBWQGQ-KRWDZBQOSA-N 2 2 330.476 1.990 20 0 EDADLP CC[NH+](CC)C[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340251866 539723457 /nfs/dbraw/zinc/72/34/57/539723457.db2.gz ONJYISSBTPTBFT-HNNXBMFYSA-N 3 2 327.517 1.042 20 0 EDADLP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000562320823 306295259 /nfs/dbraw/zinc/29/52/59/306295259.db2.gz AJAISHSMJWQWEK-JTDSTZFVSA-N 2 2 347.459 1.798 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2n[nH]cc2c1 ZINC000353287107 539932427 /nfs/dbraw/zinc/93/24/27/539932427.db2.gz OFXBCWNAIMSWOD-VWPFQQQWSA-N 2 2 332.448 1.684 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(=O)Nc1ccccc1 ZINC000562838020 306311112 /nfs/dbraw/zinc/31/11/12/306311112.db2.gz YXLFHONOUOPUNN-ZBFHGGJFSA-N 2 2 330.432 1.799 20 0 EDADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(=O)Nc1ccccc1 ZINC000562838020 306311113 /nfs/dbraw/zinc/31/11/13/306311113.db2.gz YXLFHONOUOPUNN-ZBFHGGJFSA-N 2 2 330.432 1.799 20 0 EDADLP C[C@H]1CSCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496553319 291013043 /nfs/dbraw/zinc/01/30/43/291013043.db2.gz SHZLKIFSAFTJBH-CJNGLKHVSA-N 2 2 325.478 1.545 20 0 EDADLP C[C@H]1CSCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496553319 291013044 /nfs/dbraw/zinc/01/30/44/291013044.db2.gz SHZLKIFSAFTJBH-CJNGLKHVSA-N 2 2 325.478 1.545 20 0 EDADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000163731281 540056189 /nfs/dbraw/zinc/05/61/89/540056189.db2.gz RTWMVTLBVFJOIB-AWEZNQCLSA-N 2 2 330.436 1.424 20 0 EDADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000180073647 540120112 /nfs/dbraw/zinc/12/01/12/540120112.db2.gz REGFLGPWMMMRRV-CQSZACIVSA-N 2 2 329.452 1.371 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CC2(C[NH3+])CCCCC2)no1 ZINC000184227712 235340821 /nfs/dbraw/zinc/34/08/21/235340821.db2.gz RJSGNCDMLPARPH-UHFFFAOYSA-N 2 2 337.468 1.782 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCc3ccccn3)CC2)CC1 ZINC000051674610 138135480 /nfs/dbraw/zinc/13/54/80/138135480.db2.gz RDAIOKUBSKKBCG-UHFFFAOYSA-N 2 2 345.491 1.482 20 0 EDADLP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC1CC1 ZINC000070014175 138202693 /nfs/dbraw/zinc/20/26/93/138202693.db2.gz HVYJRKMBXSYWBY-UHFFFAOYSA-N 2 2 345.487 1.867 20 0 EDADLP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC1CC1 ZINC000070014175 138202694 /nfs/dbraw/zinc/20/26/94/138202694.db2.gz HVYJRKMBXSYWBY-UHFFFAOYSA-N 2 2 345.487 1.867 20 0 EDADLP CC[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1)[NH+](C)C ZINC000413085614 304057575 /nfs/dbraw/zinc/05/75/75/304057575.db2.gz OOHCGHLBJJVAMO-HZPDHXFCSA-N 2 2 330.432 1.975 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107833408 295928906 /nfs/dbraw/zinc/92/89/06/295928906.db2.gz GJBPHRZBUGWASM-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)NCC2([NH+]3CCOCC3)CC2)cc1 ZINC000563546929 306338292 /nfs/dbraw/zinc/33/82/92/306338292.db2.gz DKGPAEKTONFQLM-UHFFFAOYSA-N 2 2 331.460 1.385 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106583505 138303126 /nfs/dbraw/zinc/30/31/26/138303126.db2.gz ZDCLZRQHEYQKJQ-GJZGRUSLSA-N 2 2 334.468 1.282 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+](CC(=O)NCC3CCC3)CC2)CC1 ZINC000112358632 138309057 /nfs/dbraw/zinc/30/90/57/138309057.db2.gz NWUSXKHMPWYEKG-UHFFFAOYSA-N 2 2 336.524 1.395 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)C2 ZINC000122278475 138317994 /nfs/dbraw/zinc/31/79/94/138317994.db2.gz UQWOGSGAATVFKU-LSDHHAIUSA-N 2 2 333.457 1.958 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124207552 138324812 /nfs/dbraw/zinc/32/48/12/138324812.db2.gz HYMWGSLJRDQYGL-UHFFFAOYSA-N 2 2 332.404 1.861 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124207552 138324813 /nfs/dbraw/zinc/32/48/13/138324813.db2.gz HYMWGSLJRDQYGL-UHFFFAOYSA-N 2 2 332.404 1.861 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCOC ZINC000131069326 138351709 /nfs/dbraw/zinc/35/17/09/138351709.db2.gz JJAQEWFGHPWFFQ-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCOC ZINC000131069326 138351712 /nfs/dbraw/zinc/35/17/12/138351712.db2.gz JJAQEWFGHPWFFQ-HZPDHXFCSA-N 2 2 334.464 1.405 20 0 EDADLP CCCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000563799129 306347360 /nfs/dbraw/zinc/34/73/60/306347360.db2.gz RMARPYSVPMYOKT-INIZCTEOSA-N 2 2 331.464 1.965 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2ccccc2Cl)n1C ZINC000564077162 306355095 /nfs/dbraw/zinc/35/50/95/306355095.db2.gz JCTPSMFAKOERQV-ZDUSSCGKSA-N 2 2 338.839 1.669 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1cccc(F)c1 ZINC000564562987 306360643 /nfs/dbraw/zinc/36/06/43/306360643.db2.gz RRQHBVFPNBXAPN-SJORKVTESA-N 2 2 332.423 1.693 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1cccc(F)c1 ZINC000564562987 306360644 /nfs/dbraw/zinc/36/06/44/306360644.db2.gz RRQHBVFPNBXAPN-SJORKVTESA-N 2 2 332.423 1.693 20 0 EDADLP C[NH2+]C[C@@H](C)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000237183964 283535419 /nfs/dbraw/zinc/53/54/19/283535419.db2.gz QFMZKLWHMQDMBG-CQSZACIVSA-N 2 2 332.448 1.061 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000130313067 223143419 /nfs/dbraw/zinc/14/34/19/223143419.db2.gz QSMSOCMPNOMQES-INIZCTEOSA-N 2 2 346.475 1.597 20 0 EDADLP OCC[N@H+](CCn1cc[nH+]c1)Cc1cnn(Cc2ccccc2)c1 ZINC000131481558 223238445 /nfs/dbraw/zinc/23/84/45/223238445.db2.gz YKBUPZJGRLJDKV-UHFFFAOYSA-N 2 2 325.416 1.622 20 0 EDADLP OCC[N@@H+](CCn1cc[nH+]c1)Cc1cnn(Cc2ccccc2)c1 ZINC000131481558 223238446 /nfs/dbraw/zinc/23/84/46/223238446.db2.gz YKBUPZJGRLJDKV-UHFFFAOYSA-N 2 2 325.416 1.622 20 0 EDADLP C[C@]([NH2+]CCn1cc[nH+]c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000132038324 223293989 /nfs/dbraw/zinc/29/39/89/223293989.db2.gz XMVZQLVDYKGYMV-CQSZACIVSA-N 2 2 326.322 1.892 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000073583210 216396978 /nfs/dbraw/zinc/39/69/78/216396978.db2.gz KHJMWBPWBHFKQZ-LJQANCHMSA-N 2 2 345.487 1.388 20 0 EDADLP COc1ccccc1N1CC[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1=O ZINC000414387100 304113472 /nfs/dbraw/zinc/11/34/72/304113472.db2.gz ZYCOPJSWWSILIQ-AWEZNQCLSA-N 2 2 343.431 1.390 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)n1C ZINC000414388893 304114042 /nfs/dbraw/zinc/11/40/42/304114042.db2.gz DCZOHRIPZDGSOY-INIZCTEOSA-N 2 2 327.432 1.771 20 0 EDADLP COC(=O)[C@H]1CSCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000414597306 304125413 /nfs/dbraw/zinc/12/54/13/304125413.db2.gz WFXSVBLQUDXSJL-LLVKDONJSA-N 2 2 329.491 1.543 20 0 EDADLP COC(=O)[C@H]1CSCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000414597306 304125416 /nfs/dbraw/zinc/12/54/16/304125416.db2.gz WFXSVBLQUDXSJL-LLVKDONJSA-N 2 2 329.491 1.543 20 0 EDADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000566320419 306408797 /nfs/dbraw/zinc/40/87/97/306408797.db2.gz NJSFJJDSHDEWCO-MRXNPFEDSA-N 2 2 339.443 1.493 20 0 EDADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415065937 304156097 /nfs/dbraw/zinc/15/60/97/304156097.db2.gz HYYQSVWENXNMJN-INIZCTEOSA-N 2 2 336.867 1.953 20 0 EDADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415065937 304156099 /nfs/dbraw/zinc/15/60/99/304156099.db2.gz HYYQSVWENXNMJN-INIZCTEOSA-N 2 2 336.867 1.953 20 0 EDADLP COc1ccc(Cn2nc(C)c(C[N@H+](C)C[C@@H](O)C[NH3+])c2C)cc1 ZINC000415065095 304156419 /nfs/dbraw/zinc/15/64/19/304156419.db2.gz FIAUMMWDLKQVFZ-INIZCTEOSA-N 2 2 332.448 1.308 20 0 EDADLP COc1ccc(Cn2nc(C)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c2C)cc1 ZINC000415065095 304156420 /nfs/dbraw/zinc/15/64/20/304156420.db2.gz FIAUMMWDLKQVFZ-INIZCTEOSA-N 2 2 332.448 1.308 20 0 EDADLP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)C[C@@H](O)C[NH3+] ZINC000415070172 304156969 /nfs/dbraw/zinc/15/69/69/304156969.db2.gz QAESNRXQGAQIHV-JTQLQIEISA-N 2 2 339.180 1.802 20 0 EDADLP C[N@H+](Cc1cc(Br)ccc1OC(F)F)C[C@@H](O)C[NH3+] ZINC000415070172 304156970 /nfs/dbraw/zinc/15/69/70/304156970.db2.gz QAESNRXQGAQIHV-JTQLQIEISA-N 2 2 339.180 1.802 20 0 EDADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415096189 304159542 /nfs/dbraw/zinc/15/95/42/304159542.db2.gz PGHMZJNXYMUYIW-CQSZACIVSA-N 2 2 336.386 1.845 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516008 139018902 /nfs/dbraw/zinc/01/89/02/139018902.db2.gz DRXQUMHNIJUFFF-QGZVFWFLSA-N 2 2 348.491 1.994 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516008 139018903 /nfs/dbraw/zinc/01/89/03/139018903.db2.gz DRXQUMHNIJUFFF-QGZVFWFLSA-N 2 2 348.491 1.994 20 0 EDADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000651976566 452200067 /nfs/dbraw/zinc/20/00/67/452200067.db2.gz SDRTYFJVLTZDCV-UHFFFAOYSA-N 2 2 331.457 1.541 20 0 EDADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000651976566 452200070 /nfs/dbraw/zinc/20/00/70/452200070.db2.gz SDRTYFJVLTZDCV-UHFFFAOYSA-N 2 2 331.457 1.541 20 0 EDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)cc2)CC1 ZINC000236959984 139036542 /nfs/dbraw/zinc/03/65/42/139036542.db2.gz YSMDNATVIWLOCQ-KRWDZBQOSA-N 2 2 348.516 1.103 20 0 EDADLP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)cc2)CC1 ZINC000236959984 139036543 /nfs/dbraw/zinc/03/65/43/139036543.db2.gz YSMDNATVIWLOCQ-KRWDZBQOSA-N 2 2 348.516 1.103 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000110918820 220079504 /nfs/dbraw/zinc/07/95/04/220079504.db2.gz UCFDODJMSHPXND-UHFFFAOYSA-N 2 2 329.404 1.062 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2csc(C[NH3+])n2)C[C@@H](C)O1 ZINC000237495176 139052497 /nfs/dbraw/zinc/05/24/97/139052497.db2.gz KLNLPNIPSSQLAY-GHMZBOCLSA-N 2 2 326.466 1.219 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2OC)[C@H](C)C1 ZINC000081096544 217360627 /nfs/dbraw/zinc/36/06/27/217360627.db2.gz NLNVILXLUAXDKC-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2OC)[C@H](C)C1 ZINC000081096544 217360628 /nfs/dbraw/zinc/36/06/28/217360628.db2.gz NLNVILXLUAXDKC-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2OC)[C@H](C)C1 ZINC000081096544 217360631 /nfs/dbraw/zinc/36/06/31/217360631.db2.gz NLNVILXLUAXDKC-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2OC)[C@H](C)C1 ZINC000081096544 217360633 /nfs/dbraw/zinc/36/06/33/217360633.db2.gz NLNVILXLUAXDKC-NVXWUHKLSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(OC)c2)[C@@H](C)C1 ZINC000245423893 139073938 /nfs/dbraw/zinc/07/39/38/139073938.db2.gz JSZRGOALAQROGH-MAUKXSAKSA-N 2 2 333.476 1.974 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(OC)c2)[C@@H](C)C1 ZINC000245423893 139073939 /nfs/dbraw/zinc/07/39/39/139073939.db2.gz JSZRGOALAQROGH-MAUKXSAKSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(OC)c2)[C@@H](C)C1 ZINC000245423893 139073940 /nfs/dbraw/zinc/07/39/40/139073940.db2.gz JSZRGOALAQROGH-MAUKXSAKSA-N 2 2 333.476 1.974 20 0 EDADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(OC)c2)[C@@H](C)C1 ZINC000245423893 139073941 /nfs/dbraw/zinc/07/39/41/139073941.db2.gz JSZRGOALAQROGH-MAUKXSAKSA-N 2 2 333.476 1.974 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000245685582 139083126 /nfs/dbraw/zinc/08/31/26/139083126.db2.gz POXJVKORWXPNKR-HZPDHXFCSA-N 2 2 348.447 1.132 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC3(CC2)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000245685582 139083127 /nfs/dbraw/zinc/08/31/27/139083127.db2.gz POXJVKORWXPNKR-HZPDHXFCSA-N 2 2 348.447 1.132 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@H]3C[C@H](OC)C[NH2+]3)ccc2n1C1CC1 ZINC000567823303 306464510 /nfs/dbraw/zinc/46/45/10/306464510.db2.gz RWAGPBLETFPVGW-GOEBONIOSA-N 2 2 342.443 1.927 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246003437 139092133 /nfs/dbraw/zinc/09/21/33/139092133.db2.gz YPSLLDURGLEAPP-KGLIPLIRSA-N 2 2 328.420 1.492 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246003437 139092134 /nfs/dbraw/zinc/09/21/34/139092134.db2.gz YPSLLDURGLEAPP-KGLIPLIRSA-N 2 2 328.420 1.492 20 0 EDADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246572623 139113295 /nfs/dbraw/zinc/11/32/95/139113295.db2.gz YCVTWKBMKCDTAC-BBWFWOEESA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246898692 139125954 /nfs/dbraw/zinc/12/59/54/139125954.db2.gz BIJDOPFXRGISID-GVDBMIGSSA-N 2 2 348.495 1.112 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CCC[N@H+](C)C1 ZINC000247244669 139142270 /nfs/dbraw/zinc/14/22/70/139142270.db2.gz DKYAOXYNWBXVDI-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP CN(C(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1)[C@H]1CCC[N@@H+](C)C1 ZINC000247244669 139142271 /nfs/dbraw/zinc/14/22/71/139142271.db2.gz DKYAOXYNWBXVDI-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP CN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH+](C)C1 ZINC000247244669 139142272 /nfs/dbraw/zinc/14/22/72/139142272.db2.gz DKYAOXYNWBXVDI-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CCC[NH+](C)C1 ZINC000247244669 139142273 /nfs/dbraw/zinc/14/22/73/139142273.db2.gz DKYAOXYNWBXVDI-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000248044527 139157522 /nfs/dbraw/zinc/15/75/22/139157522.db2.gz UNKKVJRVHGVPPC-NVXWUHKLSA-N 2 2 342.443 1.905 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000248044527 139157523 /nfs/dbraw/zinc/15/75/23/139157523.db2.gz UNKKVJRVHGVPPC-NVXWUHKLSA-N 2 2 342.443 1.905 20 0 EDADLP Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112201223 220259769 /nfs/dbraw/zinc/25/97/69/220259769.db2.gz KOMXLDLPZIJBBF-OAHLLOKOSA-N 2 2 325.478 1.262 20 0 EDADLP Cc1csc(=O)n1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112201223 220259770 /nfs/dbraw/zinc/25/97/70/220259770.db2.gz KOMXLDLPZIJBBF-OAHLLOKOSA-N 2 2 325.478 1.262 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000093663816 218241213 /nfs/dbraw/zinc/24/12/13/218241213.db2.gz BZCCAVQWYJWJEX-AWEZNQCLSA-N 2 2 334.416 1.578 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc2c1OCO2 ZINC000093663816 218241215 /nfs/dbraw/zinc/24/12/15/218241215.db2.gz BZCCAVQWYJWJEX-AWEZNQCLSA-N 2 2 334.416 1.578 20 0 EDADLP C[C@@H](CNC(=O)C[NH+](C)[C@H]1CCSC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056392 452225775 /nfs/dbraw/zinc/22/57/75/452225775.db2.gz YVFACWKCMDYISZ-XQLPTFJDSA-N 2 2 329.510 1.038 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)CC1 ZINC000250292887 139200995 /nfs/dbraw/zinc/20/09/95/139200995.db2.gz VMQAHFFYXJCWCB-QZTJIDSGSA-N 2 2 337.508 1.726 20 0 EDADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)CC1 ZINC000250292887 139200996 /nfs/dbraw/zinc/20/09/96/139200996.db2.gz VMQAHFFYXJCWCB-QZTJIDSGSA-N 2 2 337.508 1.726 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000252003428 139203659 /nfs/dbraw/zinc/20/36/59/139203659.db2.gz XAOHJKACTDGOOA-CABCVRRESA-N 2 2 328.416 1.399 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000252003428 139203660 /nfs/dbraw/zinc/20/36/60/139203660.db2.gz XAOHJKACTDGOOA-CABCVRRESA-N 2 2 328.416 1.399 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261692011 139218047 /nfs/dbraw/zinc/21/80/47/139218047.db2.gz HOZCPFSNYVKMCB-LJQANCHMSA-N 2 2 333.476 1.899 20 0 EDADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261692011 139218048 /nfs/dbraw/zinc/21/80/48/139218048.db2.gz HOZCPFSNYVKMCB-LJQANCHMSA-N 2 2 333.476 1.899 20 0 EDADLP C[NH2+][C@H](C)Cc1noc(C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000261768822 139224315 /nfs/dbraw/zinc/22/43/15/139224315.db2.gz MZTZVIACCHJJSX-ZBFHGGJFSA-N 2 2 330.432 1.664 20 0 EDADLP C[NH2+][C@H](C)Cc1noc(C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000261768822 139224316 /nfs/dbraw/zinc/22/43/16/139224316.db2.gz MZTZVIACCHJJSX-ZBFHGGJFSA-N 2 2 330.432 1.664 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2[nH+]c1C1CC1 ZINC000415460629 304223666 /nfs/dbraw/zinc/22/36/66/304223666.db2.gz YZYPEWPYHGMCHM-AWEZNQCLSA-N 2 2 341.415 1.243 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940237 139238776 /nfs/dbraw/zinc/23/87/76/139238776.db2.gz LCTRDKDFWVBYQZ-HIFRSBDPSA-N 2 2 325.478 1.496 20 0 EDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940237 139238777 /nfs/dbraw/zinc/23/87/77/139238777.db2.gz LCTRDKDFWVBYQZ-HIFRSBDPSA-N 2 2 325.478 1.496 20 0 EDADLP O=C(CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000261999497 139242892 /nfs/dbraw/zinc/24/28/92/139242892.db2.gz TZNNUSPLDBGLSU-KRWDZBQOSA-N 2 2 342.487 1.193 20 0 EDADLP [NH3+]CC1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000262101942 139251000 /nfs/dbraw/zinc/25/10/00/139251000.db2.gz DTUUXNHCJDTWQP-UHFFFAOYSA-N 2 2 333.432 1.213 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000569310192 306502756 /nfs/dbraw/zinc/50/27/56/306502756.db2.gz AKSUKJPDXHYHNJ-UHFFFAOYSA-N 2 2 335.452 1.298 20 0 EDADLP Cc1cc(NC(=O)C(=O)N[C@H](C)CC[NH3+])ccc1Oc1cc[nH+]cc1 ZINC000415563278 251015563 /nfs/dbraw/zinc/01/55/63/251015563.db2.gz YFKFKWSFXZUGQF-CYBMUJFWSA-N 2 2 342.399 1.974 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(OCC[NH3+])cc2)CCO1 ZINC000415964940 251040752 /nfs/dbraw/zinc/04/07/52/251040752.db2.gz XFNXPBAOZIMJDG-OAHLLOKOSA-N 2 2 336.436 1.256 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(OCC[NH3+])cc2)CCO1 ZINC000415964940 251040760 /nfs/dbraw/zinc/04/07/60/251040760.db2.gz XFNXPBAOZIMJDG-OAHLLOKOSA-N 2 2 336.436 1.256 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)c1 ZINC000415949827 251039398 /nfs/dbraw/zinc/03/93/98/251039398.db2.gz AYJNVEBOSXKHNV-SFHVURJKSA-N 2 2 346.475 1.981 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000415949827 251039402 /nfs/dbraw/zinc/03/94/02/251039402.db2.gz AYJNVEBOSXKHNV-SFHVURJKSA-N 2 2 346.475 1.981 20 0 EDADLP [NH3+]CC[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C(F)(F)F ZINC000416009847 251046312 /nfs/dbraw/zinc/04/63/12/251046312.db2.gz PLCPGLJFCNTHTN-NEPJUHHUSA-N 2 2 332.326 1.524 20 0 EDADLP [NH3+]CC1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCOCC1 ZINC000262337506 139271212 /nfs/dbraw/zinc/27/12/12/139271212.db2.gz STJACKCSEPZLRY-UHFFFAOYSA-N 2 2 346.475 1.834 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)NCC2([NH3+])CCCCCC2)CCO1 ZINC000417430748 251170716 /nfs/dbraw/zinc/17/07/16/251170716.db2.gz YODUSGJFRAWOMG-UHFFFAOYSA-N 2 2 326.485 1.448 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)NCC2([NH3+])CCCCCC2)CCO1 ZINC000417430748 251170721 /nfs/dbraw/zinc/17/07/21/251170721.db2.gz YODUSGJFRAWOMG-UHFFFAOYSA-N 2 2 326.485 1.448 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c[nH+]2)C[C@H](C)O1 ZINC000262434738 139278867 /nfs/dbraw/zinc/27/88/67/139278867.db2.gz SBQZFASCBPOPSW-MPTYRVRUSA-N 2 2 346.475 1.700 20 0 EDADLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)c2)C[C@@H](C)O1 ZINC000262419660 139277830 /nfs/dbraw/zinc/27/78/30/139277830.db2.gz ZYVZPROBBYMHRW-ADAWSYLGSA-N 2 2 347.459 1.611 20 0 EDADLP Cc1ccc(N2CCC(NC(=O)N3CC[NH2+][C@@H](C)[C@H]3C)CC2)[nH+]c1 ZINC000417731424 251246285 /nfs/dbraw/zinc/24/62/85/251246285.db2.gz NTWPQKNXFCYGSE-LSDHHAIUSA-N 2 2 331.464 1.751 20 0 EDADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000418525811 251376216 /nfs/dbraw/zinc/37/62/16/251376216.db2.gz PVWLGRJJQIDREB-UHFFFAOYSA-N 2 2 326.391 1.150 20 0 EDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NCCc1ccccn1 ZINC000262638064 139291962 /nfs/dbraw/zinc/29/19/62/139291962.db2.gz IRTKDGISYQCBBI-IBGZPJMESA-N 2 2 349.438 1.555 20 0 EDADLP Cc1cc(N2CC[NH+](CC[C@@H]3CCNC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000569550161 306509900 /nfs/dbraw/zinc/50/99/00/306509900.db2.gz VVAYQYPBJMBPEF-HNNXBMFYSA-N 2 2 331.464 1.557 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262688226 139296354 /nfs/dbraw/zinc/29/63/54/139296354.db2.gz YQCAXWDSMFKEEK-GOSISDBHSA-N 2 2 342.443 1.944 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C(=O)Nc3cccc(-n4cc[nH+]c4)c3)C[C@@H]12 ZINC000415592981 304234962 /nfs/dbraw/zinc/23/49/62/304234962.db2.gz UMIXGBSKPGXEOX-APHBMKBZSA-N 2 2 339.399 1.007 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[N@@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422868793 252004849 /nfs/dbraw/zinc/00/48/49/252004849.db2.gz WCBMSWSHZJGIIK-HZPDHXFCSA-N 3 2 325.497 1.772 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[N@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422868793 252004852 /nfs/dbraw/zinc/00/48/52/252004852.db2.gz WCBMSWSHZJGIIK-HZPDHXFCSA-N 3 2 325.497 1.772 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000423414081 252053840 /nfs/dbraw/zinc/05/38/40/252053840.db2.gz BKNMCRPTRJAATO-ABAIWWIYSA-N 2 2 327.375 1.192 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000423864672 252095663 /nfs/dbraw/zinc/09/56/63/252095663.db2.gz CAIDUEXEYMAFDA-NJAFHUGGSA-N 2 2 331.460 1.564 20 0 EDADLP COCC[C@]1(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC[NH2+]C1 ZINC000423804571 252082576 /nfs/dbraw/zinc/08/25/76/252082576.db2.gz SJVAAJCULFSBRU-MAUKXSAKSA-N 2 2 334.464 1.217 20 0 EDADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214501 252163307 /nfs/dbraw/zinc/16/33/07/252163307.db2.gz CTBRBAZECSYROK-HRCADAONSA-N 2 2 335.398 1.717 20 0 EDADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214501 252163309 /nfs/dbraw/zinc/16/33/09/252163309.db2.gz CTBRBAZECSYROK-HRCADAONSA-N 2 2 335.398 1.717 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424136744 252138044 /nfs/dbraw/zinc/13/80/44/252138044.db2.gz RISYQZIRBYGWKL-LBPRGKRZSA-N 2 2 328.420 1.268 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CC(CC(=O)OC)C2)nc[nH+]1 ZINC000424305663 252193443 /nfs/dbraw/zinc/19/34/43/252193443.db2.gz SSMJBJCYTXMPLR-JXQTWKCFSA-N 2 2 333.436 1.418 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]C2CC(CC(=O)OC)C2)nc[nH+]1 ZINC000424305664 252194097 /nfs/dbraw/zinc/19/40/97/252194097.db2.gz SSMJBJCYTXMPLR-RUXDESIVSA-N 2 2 333.436 1.418 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424468897 252240097 /nfs/dbraw/zinc/24/00/97/252240097.db2.gz OURVDKBTDPRILB-LBPRGKRZSA-N 2 2 341.406 1.606 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424449873 252235884 /nfs/dbraw/zinc/23/58/84/252235884.db2.gz UMVZDWXXDSRJQT-LBPRGKRZSA-N 2 2 329.404 1.486 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425070693 252299134 /nfs/dbraw/zinc/29/91/34/252299134.db2.gz XBARSMDWZGWERZ-YYIAUSFCSA-N 2 2 328.460 1.707 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425070693 252299137 /nfs/dbraw/zinc/29/91/37/252299137.db2.gz XBARSMDWZGWERZ-YYIAUSFCSA-N 2 2 328.460 1.707 20 0 EDADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000415674794 304253923 /nfs/dbraw/zinc/25/39/23/304253923.db2.gz LHCCMDHZRZYHSX-DOMZBBRYSA-N 2 2 341.415 1.282 20 0 EDADLP C[C@@H]1CCCN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)[C@H]1C[NH3+] ZINC000415703418 304259530 /nfs/dbraw/zinc/25/95/30/304259530.db2.gz FWKDRNLKZSYTJH-HIFRSBDPSA-N 2 2 328.420 1.918 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@](C)(CC)OC)CC2)CC1 ZINC000422027192 285187390 /nfs/dbraw/zinc/18/73/90/285187390.db2.gz WCOXTFQKVUIIIS-SFHVURJKSA-N 2 2 325.497 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@](C)(CC)OC)CC2)CC1 ZINC000422027192 285187392 /nfs/dbraw/zinc/18/73/92/285187392.db2.gz WCOXTFQKVUIIIS-SFHVURJKSA-N 2 2 325.497 1.820 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]2OCCc3ccccc32)CC1 ZINC000263753710 139357846 /nfs/dbraw/zinc/35/78/46/139357846.db2.gz SYWSORWOAGGWNY-VQIMIIECSA-N 2 2 345.487 1.785 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H]2OCCc3ccccc32)CC1 ZINC000263753710 139357847 /nfs/dbraw/zinc/35/78/47/139357847.db2.gz SYWSORWOAGGWNY-VQIMIIECSA-N 2 2 345.487 1.785 20 0 EDADLP O=C(NCCCCNc1cccc[nH+]1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488600640 255045839 /nfs/dbraw/zinc/04/58/39/255045839.db2.gz XIDCMMOJVCMTLW-AWEZNQCLSA-N 2 2 328.420 1.784 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000488836285 255056682 /nfs/dbraw/zinc/05/66/82/255056682.db2.gz ZXMSRDALNTYJET-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000488836285 255056683 /nfs/dbraw/zinc/05/66/83/255056683.db2.gz ZXMSRDALNTYJET-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000488836285 255056685 /nfs/dbraw/zinc/05/66/85/255056685.db2.gz ZXMSRDALNTYJET-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000488836285 255056687 /nfs/dbraw/zinc/05/66/87/255056687.db2.gz ZXMSRDALNTYJET-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP Cc1nc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nc(N(C)C)[nH+]1 ZINC000488441307 255043891 /nfs/dbraw/zinc/04/38/91/255043891.db2.gz RSOOTUOSSWKEST-GJZGRUSLSA-N 2 2 347.511 1.241 20 0 EDADLP O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000493553100 255215133 /nfs/dbraw/zinc/21/51/33/255215133.db2.gz KPFHPBFLFHSBPP-DXNDIVFVSA-N 2 2 338.411 1.475 20 0 EDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000154204021 533195843 /nfs/dbraw/zinc/19/58/43/533195843.db2.gz GYPBBNTUTCDFFX-SFHVURJKSA-N 2 2 336.524 1.347 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000493181570 255194871 /nfs/dbraw/zinc/19/48/71/255194871.db2.gz CHOFUZOMUYRKMJ-BUWFCSEKSA-N 2 2 326.400 1.175 20 0 EDADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000493181570 255194872 /nfs/dbraw/zinc/19/48/72/255194872.db2.gz CHOFUZOMUYRKMJ-BUWFCSEKSA-N 2 2 326.400 1.175 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000494206906 255242134 /nfs/dbraw/zinc/24/21/34/255242134.db2.gz ZZRUOGWUGPCOQC-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000494206906 255242135 /nfs/dbraw/zinc/24/21/35/255242135.db2.gz ZZRUOGWUGPCOQC-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494206906 255242136 /nfs/dbraw/zinc/24/21/36/255242136.db2.gz ZZRUOGWUGPCOQC-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494206906 255242137 /nfs/dbraw/zinc/24/21/37/255242137.db2.gz ZZRUOGWUGPCOQC-DJIMGWMZSA-N 2 2 336.480 1.118 20 0 EDADLP O=C1OC2(CCCC2)CN1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000494455671 255251352 /nfs/dbraw/zinc/25/13/52/255251352.db2.gz RWACFXMGUSKDTN-UHFFFAOYSA-N 2 2 337.464 1.753 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000496836622 255430188 /nfs/dbraw/zinc/43/01/88/255430188.db2.gz HUKOWFWNBLLCPG-HUUCEWRRSA-N 2 2 327.469 1.432 20 0 EDADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000496836622 255430189 /nfs/dbraw/zinc/43/01/89/255430189.db2.gz HUKOWFWNBLLCPG-HUUCEWRRSA-N 2 2 327.469 1.432 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000118112314 221120077 /nfs/dbraw/zinc/12/00/77/221120077.db2.gz NFYVCZMPCVPPKU-ZDUSSCGKSA-N 2 2 334.420 1.265 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000118112314 221120079 /nfs/dbraw/zinc/12/00/79/221120079.db2.gz NFYVCZMPCVPPKU-ZDUSSCGKSA-N 2 2 334.420 1.265 20 0 EDADLP COc1ncccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154661189 224287185 /nfs/dbraw/zinc/28/71/85/224287185.db2.gz IFNGAGGEEYPRHC-XYPWUTKMSA-N 2 2 344.459 1.473 20 0 EDADLP COc1ncccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154661189 224287188 /nfs/dbraw/zinc/28/71/88/224287188.db2.gz IFNGAGGEEYPRHC-XYPWUTKMSA-N 2 2 344.459 1.473 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264144028 139382752 /nfs/dbraw/zinc/38/27/52/139382752.db2.gz JGEVLJULGNBOAN-UHFFFAOYSA-N 2 2 327.432 1.668 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000264144028 139382753 /nfs/dbraw/zinc/38/27/53/139382753.db2.gz JGEVLJULGNBOAN-UHFFFAOYSA-N 2 2 327.432 1.668 20 0 EDADLP C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000119632567 221363702 /nfs/dbraw/zinc/36/37/02/221363702.db2.gz YNVNNTCCZMVQQP-HNNXBMFYSA-N 2 2 333.480 1.890 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1 ZINC000264193939 139385911 /nfs/dbraw/zinc/38/59/11/139385911.db2.gz NJOTZFBWCCAXHK-UHFFFAOYSA-N 2 2 332.448 1.615 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181060724 533246969 /nfs/dbraw/zinc/24/69/69/533246969.db2.gz UGUTVSHALFUWNU-UHFFFAOYSA-N 2 2 330.432 1.668 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181060724 533246974 /nfs/dbraw/zinc/24/69/74/533246974.db2.gz UGUTVSHALFUWNU-UHFFFAOYSA-N 2 2 330.432 1.668 20 0 EDADLP COc1c(C)c[nH+]c(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000171792283 533412078 /nfs/dbraw/zinc/41/20/78/533412078.db2.gz ZGKJAIWAUMEMQF-UHFFFAOYSA-N 2 2 348.491 1.597 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NC2CC[NH2+]CC2)cc1 ZINC000571182969 306560295 /nfs/dbraw/zinc/56/02/95/306560295.db2.gz BLDHMQSKIJRBEV-GOSISDBHSA-N 2 2 346.475 1.420 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000270325168 140079673 /nfs/dbraw/zinc/07/96/73/140079673.db2.gz XWASPQRMOJBKFZ-UHFFFAOYSA-N 2 2 347.463 1.986 20 0 EDADLP COC(=O)C1CC[NH+](CCCNc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000270325168 140079675 /nfs/dbraw/zinc/07/96/75/140079675.db2.gz XWASPQRMOJBKFZ-UHFFFAOYSA-N 2 2 347.463 1.986 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000270958547 140207635 /nfs/dbraw/zinc/20/76/35/140207635.db2.gz YZDYMVMFKRVKPW-JKSUJKDBSA-N 2 2 338.402 1.667 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000270958547 140207636 /nfs/dbraw/zinc/20/76/36/140207636.db2.gz YZDYMVMFKRVKPW-JKSUJKDBSA-N 2 2 338.402 1.667 20 0 EDADLP CS[C@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@H]1[NH+](C)C ZINC000271132838 140243210 /nfs/dbraw/zinc/24/32/10/140243210.db2.gz NJQTZSFNNBDCRW-CVEARBPZSA-N 2 2 332.473 1.849 20 0 EDADLP CN(c1ccccc1C[N@@H+]1CCO[C@@H](CO)C1)C1CC[NH+](C)CC1 ZINC000271213381 140257672 /nfs/dbraw/zinc/25/76/72/140257672.db2.gz ZAEGEZXVGNIWBO-GOSISDBHSA-N 2 2 333.476 1.410 20 0 EDADLP CN(c1ccccc1C[N@H+]1CCO[C@@H](CO)C1)C1CC[NH+](C)CC1 ZINC000271213381 140257673 /nfs/dbraw/zinc/25/76/73/140257673.db2.gz ZAEGEZXVGNIWBO-GOSISDBHSA-N 2 2 333.476 1.410 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271303266 140274508 /nfs/dbraw/zinc/27/45/08/140274508.db2.gz JAODCRYAGGRWOY-HNNXBMFYSA-N 2 2 342.447 1.882 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1nc2ccccc2n1C ZINC000271733817 140341380 /nfs/dbraw/zinc/34/13/80/140341380.db2.gz PEBWRPXFEAUYPY-XJKSGUPXSA-N 2 2 329.448 1.564 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1nc2ccccc2n1C ZINC000271733817 140341382 /nfs/dbraw/zinc/34/13/82/140341382.db2.gz PEBWRPXFEAUYPY-XJKSGUPXSA-N 2 2 329.448 1.564 20 0 EDADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571866042 306576074 /nfs/dbraw/zinc/57/60/74/306576074.db2.gz IHOYUYRUXJKLQS-KWAPNLSSSA-N 2 2 330.432 1.760 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000332056983 141116170 /nfs/dbraw/zinc/11/61/70/141116170.db2.gz NVMMAWOMUVFSCU-ZBFHGGJFSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000332056983 141116171 /nfs/dbraw/zinc/11/61/71/141116171.db2.gz NVMMAWOMUVFSCU-ZBFHGGJFSA-N 2 2 331.464 1.832 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)c[nH+]2)C[C@H](C)O1 ZINC000332069527 141117578 /nfs/dbraw/zinc/11/75/78/141117578.db2.gz USMXMEJVZBGQII-OFQRWUPVSA-N 2 2 347.463 1.328 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333141292 141270930 /nfs/dbraw/zinc/27/09/30/141270930.db2.gz DBVIPOQAWMGHNB-IXDOHACOSA-N 2 2 343.475 1.691 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3ccc(N4CCCCC4)[nH+]c3)C[C@H]12 ZINC000333379162 141308714 /nfs/dbraw/zinc/30/87/14/141308714.db2.gz NJKBIWORSDBVTL-IXDOHACOSA-N 2 2 343.475 1.951 20 0 EDADLP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000333551250 141335389 /nfs/dbraw/zinc/33/53/89/141335389.db2.gz JLVSLPJBLIXSLB-TZMCWYRMSA-N 2 2 329.408 1.293 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333715630 141364273 /nfs/dbraw/zinc/36/42/73/141364273.db2.gz TUQSNSAWQMCHBD-KUHUBIRLSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333715630 141364274 /nfs/dbraw/zinc/36/42/74/141364274.db2.gz TUQSNSAWQMCHBD-KUHUBIRLSA-N 2 2 345.443 1.860 20 0 EDADLP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000333871455 141398455 /nfs/dbraw/zinc/39/84/55/141398455.db2.gz URANCKFDWHLJCS-AWEZNQCLSA-N 2 2 337.493 1.503 20 0 EDADLP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000333871455 141398457 /nfs/dbraw/zinc/39/84/57/141398457.db2.gz URANCKFDWHLJCS-AWEZNQCLSA-N 2 2 337.493 1.503 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000339542575 142071617 /nfs/dbraw/zinc/07/16/17/142071617.db2.gz HBDNSUWVQIKWMK-SFHVURJKSA-N 2 2 341.459 1.051 20 0 EDADLP CN(C)c1ncc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000339542575 142071618 /nfs/dbraw/zinc/07/16/18/142071618.db2.gz HBDNSUWVQIKWMK-SFHVURJKSA-N 2 2 341.459 1.051 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339611030 142092911 /nfs/dbraw/zinc/09/29/11/142092911.db2.gz APOCUQINNCZRFT-YESZJQIVSA-N 2 2 345.491 1.143 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000339620790 142097463 /nfs/dbraw/zinc/09/74/63/142097463.db2.gz DMRAJCNTFBFZIM-KBPBESRZSA-N 2 2 331.420 1.815 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)cn2cc[nH+]c12 ZINC000340302897 142335517 /nfs/dbraw/zinc/33/55/17/142335517.db2.gz MGFJJDJCDZULKG-CYBMUJFWSA-N 2 2 329.404 1.134 20 0 EDADLP Cc1cc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)cn2cc[nH+]c12 ZINC000340302897 142335518 /nfs/dbraw/zinc/33/55/18/142335518.db2.gz MGFJJDJCDZULKG-CYBMUJFWSA-N 2 2 329.404 1.134 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000345302052 143075213 /nfs/dbraw/zinc/07/52/13/143075213.db2.gz NWXGAGOGSBAYBE-VYVMZURQSA-N 2 2 340.471 1.958 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000345302052 143075214 /nfs/dbraw/zinc/07/52/14/143075214.db2.gz NWXGAGOGSBAYBE-VYVMZURQSA-N 2 2 340.471 1.958 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000345622793 143113423 /nfs/dbraw/zinc/11/34/23/143113423.db2.gz ATJOSHFPLCHLAT-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000345622793 143113424 /nfs/dbraw/zinc/11/34/24/143113424.db2.gz ATJOSHFPLCHLAT-SJLPKXTDSA-N 2 2 331.460 1.488 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000345630772 143114236 /nfs/dbraw/zinc/11/42/36/143114236.db2.gz CKFYAYWMOHRLSY-MAUKXSAKSA-N 2 2 336.501 1.921 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000345630772 143114237 /nfs/dbraw/zinc/11/42/37/143114237.db2.gz CKFYAYWMOHRLSY-MAUKXSAKSA-N 2 2 336.501 1.921 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccc(F)cc1 ZINC000345699162 143122988 /nfs/dbraw/zinc/12/29/88/143122988.db2.gz UBYUWOMTMVHSOY-YPMHNXCESA-N 2 2 326.322 1.747 20 0 EDADLP CC[N@@H+]1C[C@@H](C)N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@@H]1C ZINC000345998803 143155675 /nfs/dbraw/zinc/15/56/75/143155675.db2.gz VVKTWBPXJJFDEV-JKSUJKDBSA-N 2 2 347.507 1.573 20 0 EDADLP CC[N@H+]1C[C@@H](C)N(C(=O)C2CC[NH+](Cc3nccn3C)CC2)C[C@@H]1C ZINC000345998803 143155676 /nfs/dbraw/zinc/15/56/76/143155676.db2.gz VVKTWBPXJJFDEV-JKSUJKDBSA-N 2 2 347.507 1.573 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](F)C[C@@H]2CO)CC1 ZINC000346360240 143196455 /nfs/dbraw/zinc/19/64/55/143196455.db2.gz LJOUNEJBEZSFEL-BPQIPLTHSA-N 2 2 349.450 1.297 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](F)C[C@@H]2CO)CC1 ZINC000346360240 143196456 /nfs/dbraw/zinc/19/64/56/143196456.db2.gz LJOUNEJBEZSFEL-BPQIPLTHSA-N 2 2 349.450 1.297 20 0 EDADLP C[C@H]1C[NH+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000346373272 143198115 /nfs/dbraw/zinc/19/81/15/143198115.db2.gz NYMYCUZKFHSURZ-HOTGVXAUSA-N 2 2 341.496 1.103 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000346646339 143226004 /nfs/dbraw/zinc/22/60/04/143226004.db2.gz CFROKLDNVXENKR-IXDOHACOSA-N 2 2 346.475 1.333 20 0 EDADLP Cn1nccc1CC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346888255 143256557 /nfs/dbraw/zinc/25/65/57/143256557.db2.gz PWJVWBOLUXAOTC-YJBOKZPZSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1nccc1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346888255 143256558 /nfs/dbraw/zinc/25/65/58/143256558.db2.gz PWJVWBOLUXAOTC-YJBOKZPZSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1nccc1CC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346888255 143256559 /nfs/dbraw/zinc/25/65/59/143256559.db2.gz PWJVWBOLUXAOTC-YJBOKZPZSA-N 2 2 330.480 1.711 20 0 EDADLP Cn1nccc1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346888255 143256560 /nfs/dbraw/zinc/25/65/60/143256560.db2.gz PWJVWBOLUXAOTC-YJBOKZPZSA-N 2 2 330.480 1.711 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1OCC(F)(F)F ZINC000347084481 143280871 /nfs/dbraw/zinc/28/08/71/143280871.db2.gz ALMGZHXUPDFXBQ-UHFFFAOYSA-N 2 2 345.365 1.491 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1OCC(F)(F)F ZINC000347084481 143280872 /nfs/dbraw/zinc/28/08/72/143280872.db2.gz ALMGZHXUPDFXBQ-UHFFFAOYSA-N 2 2 345.365 1.491 20 0 EDADLP CCCC[C@H](COC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000347479988 143326940 /nfs/dbraw/zinc/32/69/40/143326940.db2.gz LQRKUJJCGQBECE-MRXNPFEDSA-N 2 2 342.528 1.859 20 0 EDADLP CCCC[C@H](COC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000347479988 143326941 /nfs/dbraw/zinc/32/69/41/143326941.db2.gz LQRKUJJCGQBECE-MRXNPFEDSA-N 2 2 342.528 1.859 20 0 EDADLP CC(C)[C@@H](C(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000347832958 143368471 /nfs/dbraw/zinc/36/84/71/143368471.db2.gz VLKYSUFCKNJLMS-KONPQCLYSA-N 2 2 348.491 1.696 20 0 EDADLP Cc1csc(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369728629 155150029 /nfs/dbraw/zinc/15/00/29/155150029.db2.gz BROJJESTIBKNHI-CQSZACIVSA-N 2 2 336.505 1.669 20 0 EDADLP Cc1csc(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000369728629 155150032 /nfs/dbraw/zinc/15/00/32/155150032.db2.gz BROJJESTIBKNHI-CQSZACIVSA-N 2 2 336.505 1.669 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1ccco1 ZINC000416821158 304350229 /nfs/dbraw/zinc/35/02/29/304350229.db2.gz VEACHOYSYCMASP-CVEARBPZSA-N 2 2 343.431 1.633 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000416859854 304352784 /nfs/dbraw/zinc/35/27/84/304352784.db2.gz HLASKBNZZVXGOV-YJBOKZPZSA-N 2 2 346.475 1.398 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416891462 304353531 /nfs/dbraw/zinc/35/35/31/304353531.db2.gz NKHZTWLMQVGWHW-DOTOQJQBSA-N 2 2 334.464 1.215 20 0 EDADLP CO[C@H](C)c1noc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000369908074 155225764 /nfs/dbraw/zinc/22/57/64/155225764.db2.gz JDGSOZAEOOZCII-ZIAGYGMSSA-N 2 2 337.468 1.377 20 0 EDADLP CO[C@H](C)c1noc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000369908074 155225765 /nfs/dbraw/zinc/22/57/65/155225765.db2.gz JDGSOZAEOOZCII-ZIAGYGMSSA-N 2 2 337.468 1.377 20 0 EDADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(=O)NCc1ccccc1 ZINC000352765673 149155875 /nfs/dbraw/zinc/15/58/75/149155875.db2.gz QMDMKWHIQZEQFF-ZDUSSCGKSA-N 2 2 332.473 1.999 20 0 EDADLP CO[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000369908556 155226221 /nfs/dbraw/zinc/22/62/21/155226221.db2.gz NAWFNIWKTJBMSQ-INIZCTEOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@H]1CN(c2cc[nH+]c(N3CCCCC3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000353280714 149351199 /nfs/dbraw/zinc/35/11/99/149351199.db2.gz FHMYLKORYNMSGS-HOTGVXAUSA-N 2 2 331.464 1.624 20 0 EDADLP C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000573547636 306623448 /nfs/dbraw/zinc/62/34/48/306623448.db2.gz AKXVHSAULMSYLT-NJAFHUGGSA-N 2 2 346.475 1.439 20 0 EDADLP [NH3+]CC[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000416979263 304360073 /nfs/dbraw/zinc/36/00/73/304360073.db2.gz WWHBYLSBHOMISI-OAHLLOKOSA-N 2 2 331.464 1.952 20 0 EDADLP [NH3+]C1(CNC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCCCC1 ZINC000416979649 304360571 /nfs/dbraw/zinc/36/05/71/304360571.db2.gz XEEZHSFDIWXOFN-UHFFFAOYSA-N 2 2 347.463 1.379 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000354908525 150025100 /nfs/dbraw/zinc/02/51/00/150025100.db2.gz PXLCWZDQSSUANA-WNRNVDISSA-N 2 2 338.540 1.780 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000354908525 150025104 /nfs/dbraw/zinc/02/51/04/150025104.db2.gz PXLCWZDQSSUANA-WNRNVDISSA-N 2 2 338.540 1.780 20 0 EDADLP Cc1ccc(CCC[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c[nH+]1 ZINC000355124564 150126737 /nfs/dbraw/zinc/12/67/37/150126737.db2.gz CEZQVRAJOBZCHW-KRWDZBQOSA-N 2 2 337.489 1.823 20 0 EDADLP Cc1ccc(CCC[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c[nH+]1 ZINC000355124564 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ZINC000361152280 152321288 /nfs/dbraw/zinc/32/12/88/152321288.db2.gz BMOQUSPXDCBGAG-CVEARBPZSA-N 2 2 338.496 1.365 20 0 EDADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000370151968 155350951 /nfs/dbraw/zinc/35/09/51/155350951.db2.gz XTKWGAORWJQMAY-KBXCAEBGSA-N 2 2 349.475 1.832 20 0 EDADLP COC(=O)c1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)oc1C ZINC000370151968 155350955 /nfs/dbraw/zinc/35/09/55/155350955.db2.gz XTKWGAORWJQMAY-KBXCAEBGSA-N 2 2 349.475 1.832 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000363558726 153000021 /nfs/dbraw/zinc/00/00/21/153000021.db2.gz ULOCMMACVOMKEI-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000363558726 153000022 /nfs/dbraw/zinc/00/00/22/153000022.db2.gz ULOCMMACVOMKEI-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000363558726 153000024 /nfs/dbraw/zinc/00/00/24/153000024.db2.gz ULOCMMACVOMKEI-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000363558726 153000026 /nfs/dbraw/zinc/00/00/26/153000026.db2.gz ULOCMMACVOMKEI-QZTJIDSGSA-N 2 2 346.475 1.273 20 0 EDADLP O=C([C@@H]1CCCCC[NH2+]1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000364211175 153174940 /nfs/dbraw/zinc/17/49/40/153174940.db2.gz HLSUIYVACIPAGS-ROUUACIJSA-N 2 2 331.460 1.396 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)c[nH+]2)CCO1 ZINC000364252591 153187767 /nfs/dbraw/zinc/18/77/67/153187767.db2.gz ONBROQKVFUZGGQ-JKSUJKDBSA-N 2 2 346.475 1.703 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000364375808 153220022 /nfs/dbraw/zinc/22/00/22/153220022.db2.gz LQQQBHUJJPCZDE-AWEZNQCLSA-N 2 2 326.466 1.206 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000364375808 153220024 /nfs/dbraw/zinc/22/00/24/153220024.db2.gz LQQQBHUJJPCZDE-AWEZNQCLSA-N 2 2 326.466 1.206 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@@H](NC[C@H]3C[NH+](C4CC4)CCO3)C2)cc1 ZINC000364393358 153225854 /nfs/dbraw/zinc/22/58/54/153225854.db2.gz ZKAUMBYQAJMQHX-QUCCMNQESA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@@H](NC[C@H]3C[NH+](C4CC4)CCO3)C2)cc1 ZINC000364393358 153225855 /nfs/dbraw/zinc/22/58/55/153225855.db2.gz ZKAUMBYQAJMQHX-QUCCMNQESA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[NH+]2CC[C@@H](NC[C@H]3C[N@@H+](C4CC4)CCO3)C2)cc1 ZINC000364393358 153225859 /nfs/dbraw/zinc/22/58/59/153225859.db2.gz ZKAUMBYQAJMQHX-QUCCMNQESA-N 2 2 329.488 1.756 20 0 EDADLP c1ccc(CC[NH+]2CC[C@@H](NC[C@H]3C[N@H+](C4CC4)CCO3)C2)cc1 ZINC000364393358 153225860 /nfs/dbraw/zinc/22/58/60/153225860.db2.gz ZKAUMBYQAJMQHX-QUCCMNQESA-N 2 2 329.488 1.756 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000364731755 153317155 /nfs/dbraw/zinc/31/71/55/153317155.db2.gz CFOUMIBZFFZWPY-GFCCVEGCSA-N 2 2 328.420 1.119 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000367123488 154015935 /nfs/dbraw/zinc/01/59/35/154015935.db2.gz SBMGYLXCHLNPBO-HZPDHXFCSA-N 2 2 343.431 1.387 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000367123488 154015938 /nfs/dbraw/zinc/01/59/38/154015938.db2.gz SBMGYLXCHLNPBO-HZPDHXFCSA-N 2 2 343.431 1.387 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000367123489 154016584 /nfs/dbraw/zinc/01/65/84/154016584.db2.gz SBMGYLXCHLNPBO-JKSUJKDBSA-N 2 2 343.431 1.387 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367123489 154016585 /nfs/dbraw/zinc/01/65/85/154016585.db2.gz SBMGYLXCHLNPBO-JKSUJKDBSA-N 2 2 343.431 1.387 20 0 EDADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367137702 154019777 /nfs/dbraw/zinc/01/97/77/154019777.db2.gz KJMCWZFXGOCXLR-AWEZNQCLSA-N 2 2 340.493 1.290 20 0 EDADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000367137702 154019778 /nfs/dbraw/zinc/01/97/78/154019778.db2.gz KJMCWZFXGOCXLR-AWEZNQCLSA-N 2 2 340.493 1.290 20 0 EDADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367425178 154117986 /nfs/dbraw/zinc/11/79/86/154117986.db2.gz BKIAJOQLDXIJKD-JKSUJKDBSA-N 2 2 334.464 1.718 20 0 EDADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000367554006 154173517 /nfs/dbraw/zinc/17/35/17/154173517.db2.gz RCSPICLQZWQHCA-CRAIPNDOSA-N 2 2 346.475 1.326 20 0 EDADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)nc1 ZINC000367554006 154173522 /nfs/dbraw/zinc/17/35/22/154173522.db2.gz RCSPICLQZWQHCA-CRAIPNDOSA-N 2 2 346.475 1.326 20 0 EDADLP CC1CC[NH+](CCCCNC(=O)N2CCc3c([nH+]cn3C)C2)CC1 ZINC000369381800 155005398 /nfs/dbraw/zinc/00/53/98/155005398.db2.gz PVZSSZSXWSINSQ-UHFFFAOYSA-N 2 2 333.480 2.000 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](O)CC(C)(C)C)C2)CC1 ZINC000369426265 155026288 /nfs/dbraw/zinc/02/62/88/155026288.db2.gz ZANZBTWWTIBEQA-GOEBONIOSA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H](O)CC(C)(C)C)C2)CC1 ZINC000369426265 155026290 /nfs/dbraw/zinc/02/62/90/155026290.db2.gz ZANZBTWWTIBEQA-GOEBONIOSA-N 2 2 340.512 1.251 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000369447509 155039129 /nfs/dbraw/zinc/03/91/29/155039129.db2.gz JPWRVROELJONAQ-HOCLYGCPSA-N 2 2 342.447 1.525 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000369447509 155039133 /nfs/dbraw/zinc/03/91/33/155039133.db2.gz JPWRVROELJONAQ-HOCLYGCPSA-N 2 2 342.447 1.525 20 0 EDADLP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000369503651 155062298 /nfs/dbraw/zinc/06/22/98/155062298.db2.gz NMTVXRCVRBXEOG-QGZVFWFLSA-N 2 2 346.475 1.909 20 0 EDADLP Cc1[nH+]c2n(c1CN1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1)CCCC2 ZINC000371565277 156006955 /nfs/dbraw/zinc/00/69/55/156006955.db2.gz UAARNHZXTUUGPU-KRWDZBQOSA-N 2 2 333.480 1.155 20 0 EDADLP CCC[NH+]1CCC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000371621358 156032296 /nfs/dbraw/zinc/03/22/96/156032296.db2.gz NECBVGMMBDIOCL-UHFFFAOYSA-N 2 2 333.480 1.292 20 0 EDADLP Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371701895 156069190 /nfs/dbraw/zinc/06/91/90/156069190.db2.gz BIHIXVIPRHSOIR-OAHLLOKOSA-N 2 2 347.507 1.845 20 0 EDADLP Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371701895 156069193 /nfs/dbraw/zinc/06/91/93/156069193.db2.gz BIHIXVIPRHSOIR-OAHLLOKOSA-N 2 2 347.507 1.845 20 0 EDADLP C[NH+](C)CCCCCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000371731723 156081800 /nfs/dbraw/zinc/08/18/00/156081800.db2.gz FLVVSQLNCXSWGS-UHFFFAOYSA-N 2 2 325.497 1.870 20 0 EDADLP CC1=CC[N@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000372282167 156310138 /nfs/dbraw/zinc/31/01/38/156310138.db2.gz PUDHSSGQYACCBE-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[N@@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCO2)CC1 ZINC000372282167 156310141 /nfs/dbraw/zinc/31/01/41/156310141.db2.gz PUDHSSGQYACCBE-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[NH+](CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000372282167 156310144 /nfs/dbraw/zinc/31/01/44/156310144.db2.gz PUDHSSGQYACCBE-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP CC1=CC[NH+](CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000372282167 156310146 /nfs/dbraw/zinc/31/01/46/156310146.db2.gz PUDHSSGQYACCBE-IBGZPJMESA-N 2 2 343.471 1.656 20 0 EDADLP O=C(C[C@@H]1CCC[NH2+]CC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000372413866 156376626 /nfs/dbraw/zinc/37/66/26/156376626.db2.gz YJBPYTDZCVHQHB-OAHLLOKOSA-N 2 2 332.448 1.314 20 0 EDADLP Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374231082 157205258 /nfs/dbraw/zinc/20/52/58/157205258.db2.gz OQWLWXFQAKDSOG-HOCLYGCPSA-N 2 2 345.491 1.125 20 0 EDADLP Cn1cc2c(n1)CCC[C@@H]2C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374231082 157205261 /nfs/dbraw/zinc/20/52/61/157205261.db2.gz OQWLWXFQAKDSOG-HOCLYGCPSA-N 2 2 345.491 1.125 20 0 EDADLP CCCCOC(=O)[C@@H](C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374615315 157345900 /nfs/dbraw/zinc/34/59/00/157345900.db2.gz UHCPFNZWJVBBKJ-HZPDHXFCSA-N 2 2 325.497 1.819 20 0 EDADLP CCCCOC(=O)[C@@H](C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374615315 157345902 /nfs/dbraw/zinc/34/59/02/157345902.db2.gz UHCPFNZWJVBBKJ-HZPDHXFCSA-N 2 2 325.497 1.819 20 0 EDADLP CC(C)c1ncc2c(n1)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000374774525 157396253 /nfs/dbraw/zinc/39/62/53/157396253.db2.gz BFFYTXGEEYUIIK-UHFFFAOYSA-N 2 2 331.464 1.122 20 0 EDADLP CC(C)c1ncc2c(n1)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000374774525 157396256 /nfs/dbraw/zinc/39/62/56/157396256.db2.gz BFFYTXGEEYUIIK-UHFFFAOYSA-N 2 2 331.464 1.122 20 0 EDADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)S1 ZINC000377891805 158021609 /nfs/dbraw/zinc/02/16/09/158021609.db2.gz DFOICZCVQLJENG-CHWSQXEVSA-N 2 2 333.461 1.396 20 0 EDADLP CCN1C(=O)[C@H]2C[N@H+](Cc3c[nH+]c4cccc(C)n34)CCN2C1=O ZINC000378375904 158157256 /nfs/dbraw/zinc/15/72/56/158157256.db2.gz ZSHDTIBGLYVTOM-CQSZACIVSA-N 2 2 327.388 1.111 20 0 EDADLP CCN1C(=O)[C@H]2C[N@@H+](Cc3c[nH+]c4cccc(C)n34)CCN2C1=O ZINC000378375904 158157259 /nfs/dbraw/zinc/15/72/59/158157259.db2.gz ZSHDTIBGLYVTOM-CQSZACIVSA-N 2 2 327.388 1.111 20 0 EDADLP COC(=O)c1cc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)oc1C ZINC000378424332 158170199 /nfs/dbraw/zinc/17/01/99/158170199.db2.gz DTBFDVAZQSWHKQ-INIZCTEOSA-N 2 2 349.475 1.975 20 0 EDADLP COC(=O)c1cc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)oc1C ZINC000378424332 158170200 /nfs/dbraw/zinc/17/02/00/158170200.db2.gz DTBFDVAZQSWHKQ-INIZCTEOSA-N 2 2 349.475 1.975 20 0 EDADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352412100 162170195 /nfs/dbraw/zinc/17/01/95/162170195.db2.gz BSLCTELTKXXOSG-RBUKOAKNSA-N 2 2 344.503 1.703 20 0 EDADLP OCC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000352420268 162173350 /nfs/dbraw/zinc/17/33/50/162173350.db2.gz AVIAGYQXYLZKLI-UHFFFAOYSA-N 2 2 347.503 1.672 20 0 EDADLP OCC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000352420268 162173351 /nfs/dbraw/zinc/17/33/51/162173351.db2.gz AVIAGYQXYLZKLI-UHFFFAOYSA-N 2 2 347.503 1.672 20 0 EDADLP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352495537 162212802 /nfs/dbraw/zinc/21/28/02/162212802.db2.gz MPUMROBGQWWKBH-AWEZNQCLSA-N 2 2 333.867 1.706 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352504430 162218036 /nfs/dbraw/zinc/21/80/36/162218036.db2.gz QMDTXSHRILJUSM-INIZCTEOSA-N 2 2 346.475 1.507 20 0 EDADLP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352504430 162218040 /nfs/dbraw/zinc/21/80/40/162218040.db2.gz QMDTXSHRILJUSM-INIZCTEOSA-N 2 2 346.475 1.507 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000355092826 162267858 /nfs/dbraw/zinc/26/78/58/162267858.db2.gz XFHJDAGCIDKEBQ-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)[C@@H]1CCOC1 ZINC000355092826 162267863 /nfs/dbraw/zinc/26/78/63/162267863.db2.gz XFHJDAGCIDKEBQ-HRCADAONSA-N 2 2 338.496 1.221 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363066206 162313086 /nfs/dbraw/zinc/31/30/86/162313086.db2.gz MDLIETFSRJLKMC-LLVKDONJSA-N 2 2 331.342 1.435 20 0 EDADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000363066206 162313090 /nfs/dbraw/zinc/31/30/90/162313090.db2.gz MDLIETFSRJLKMC-LLVKDONJSA-N 2 2 331.342 1.435 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000365191742 162355964 /nfs/dbraw/zinc/35/59/64/162355964.db2.gz DBRYNROBNQVNRN-HNNXBMFYSA-N 2 2 335.452 1.031 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC[N@@H+]1C[C@H](C)O ZINC000334073994 287145534 /nfs/dbraw/zinc/14/55/34/287145534.db2.gz JBCAKSVIXPGWLU-BYNSBNAKSA-N 2 2 335.452 1.376 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC[N@H+]1C[C@H](C)O ZINC000334073994 287145537 /nfs/dbraw/zinc/14/55/37/287145537.db2.gz JBCAKSVIXPGWLU-BYNSBNAKSA-N 2 2 335.452 1.376 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000061136824 287235855 /nfs/dbraw/zinc/23/58/55/287235855.db2.gz YXGGGFQTZFZXJE-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000074134189 287268408 /nfs/dbraw/zinc/26/84/08/287268408.db2.gz HPHSFADKFYZGBF-SJORKVTESA-N 2 2 339.528 1.138 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000074134189 287268410 /nfs/dbraw/zinc/26/84/10/287268410.db2.gz HPHSFADKFYZGBF-SJORKVTESA-N 2 2 339.528 1.138 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000077174140 287287077 /nfs/dbraw/zinc/28/70/77/287287077.db2.gz JDYQSVOHPUIRDJ-KRWDZBQOSA-N 2 2 336.524 1.537 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000081584470 287314192 /nfs/dbraw/zinc/31/41/92/287314192.db2.gz CUSCUPXWKCMWSR-HNNXBMFYSA-N 2 2 329.444 1.946 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000081584470 287314193 /nfs/dbraw/zinc/31/41/93/287314193.db2.gz CUSCUPXWKCMWSR-HNNXBMFYSA-N 2 2 329.444 1.946 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000081584470 287314194 /nfs/dbraw/zinc/31/41/94/287314194.db2.gz CUSCUPXWKCMWSR-HNNXBMFYSA-N 2 2 329.444 1.946 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000081584470 287314195 /nfs/dbraw/zinc/31/41/95/287314195.db2.gz CUSCUPXWKCMWSR-HNNXBMFYSA-N 2 2 329.444 1.946 20 0 EDADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000641833155 452316587 /nfs/dbraw/zinc/31/65/87/452316587.db2.gz DINSODQNAHNMAK-SOUVJXGZSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](C)C(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000641833155 452316595 /nfs/dbraw/zinc/31/65/95/452316595.db2.gz DINSODQNAHNMAK-SOUVJXGZSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+](C)C(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000641833155 452316601 /nfs/dbraw/zinc/31/66/01/452316601.db2.gz DINSODQNAHNMAK-SOUVJXGZSA-N 2 2 326.485 1.220 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000122749437 222150801 /nfs/dbraw/zinc/15/08/01/222150801.db2.gz JQGQUDTUQUCLFK-GASCZTMLSA-N 2 2 344.459 1.881 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2cn3ccccc3[nH+]2)C[C@H](C)O1 ZINC000122749437 222150802 /nfs/dbraw/zinc/15/08/02/222150802.db2.gz JQGQUDTUQUCLFK-GASCZTMLSA-N 2 2 344.459 1.881 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cn21 ZINC000171758735 227267000 /nfs/dbraw/zinc/26/70/00/227267000.db2.gz OKGTYOVJYWRUND-CQSZACIVSA-N 2 2 327.432 1.926 20 0 EDADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cn21 ZINC000171758735 227267005 /nfs/dbraw/zinc/26/70/05/227267005.db2.gz OKGTYOVJYWRUND-CQSZACIVSA-N 2 2 327.432 1.926 20 0 EDADLP O=C(C[C@@H]1CC[NH2+]C1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000130736457 287498644 /nfs/dbraw/zinc/49/86/44/287498644.db2.gz PQYBSKDKRGYVPZ-ROUUACIJSA-N 2 2 331.460 1.046 20 0 EDADLP [NH3+][C@H](CNC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000418431827 304495203 /nfs/dbraw/zinc/49/52/03/304495203.db2.gz ROQSAUPWLMWEHB-QGZVFWFLSA-N 2 2 328.416 1.807 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418431504 304495261 /nfs/dbraw/zinc/49/52/61/304495261.db2.gz QXHWCUHUVFZFDR-PVAVHDDUSA-N 2 2 332.448 1.191 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972302 268253939 /nfs/dbraw/zinc/25/39/39/268253939.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 3 2 330.520 1.732 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274972302 268253942 /nfs/dbraw/zinc/25/39/42/268253942.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 3 2 330.520 1.732 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972302 268253944 /nfs/dbraw/zinc/25/39/44/268253944.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 3 2 330.520 1.732 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972302 268253946 /nfs/dbraw/zinc/25/39/46/268253946.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 3 2 330.520 1.732 20 0 EDADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000275833685 268376366 /nfs/dbraw/zinc/37/63/66/268376366.db2.gz IDWZCADCWCGXCM-MOPGFXCFSA-N 2 2 342.491 1.553 20 0 EDADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000275833685 268376368 /nfs/dbraw/zinc/37/63/68/268376368.db2.gz IDWZCADCWCGXCM-MOPGFXCFSA-N 2 2 342.491 1.553 20 0 EDADLP C[NH+]1CCC(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000273179544 273032574 /nfs/dbraw/zinc/03/25/74/273032574.db2.gz GHLGAKZPSGKEGP-IBGZPJMESA-N 2 2 345.487 1.908 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CCC1 ZINC000275618832 273114044 /nfs/dbraw/zinc/11/40/44/273114044.db2.gz ODEZJDJFZGURKZ-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000275706057 273120732 /nfs/dbraw/zinc/12/07/32/273120732.db2.gz UQMJKUXNERPGSY-CABCVRRESA-N 2 2 349.479 1.651 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ncccn2)C1 ZINC000276140020 273151962 /nfs/dbraw/zinc/15/19/62/273151962.db2.gz YXKMXSDGFJWSQI-GJZGRUSLSA-N 2 2 333.480 1.676 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ncccn2)C1 ZINC000276140020 273151964 /nfs/dbraw/zinc/15/19/64/273151964.db2.gz YXKMXSDGFJWSQI-GJZGRUSLSA-N 2 2 333.480 1.676 20 0 EDADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000276306685 273158569 /nfs/dbraw/zinc/15/85/69/273158569.db2.gz RTDCHEKOYAFBGZ-UHFFFAOYSA-N 2 2 326.400 1.976 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000282831539 273724466 /nfs/dbraw/zinc/72/44/66/273724466.db2.gz ZIWUGQLZUNVEML-UHFFFAOYSA-N 2 2 347.484 1.895 20 0 EDADLP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C[NH+]1CCCC1 ZINC000283770571 273958246 /nfs/dbraw/zinc/95/82/46/273958246.db2.gz ATZRNNGWRIJOGW-HUUCEWRRSA-N 2 2 347.463 1.311 20 0 EDADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000246845297 274225749 /nfs/dbraw/zinc/22/57/49/274225749.db2.gz BDBFSPJBBURPPU-HBFSDRIKSA-N 3 2 345.535 1.518 20 0 EDADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000246845297 274225750 /nfs/dbraw/zinc/22/57/50/274225750.db2.gz BDBFSPJBBURPPU-HBFSDRIKSA-N 3 2 345.535 1.518 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000284678985 274291142 /nfs/dbraw/zinc/29/11/42/274291142.db2.gz GEAZRNIEEZRCSD-DLBZAZTESA-N 2 2 332.448 1.685 20 0 EDADLP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000284678985 274291143 /nfs/dbraw/zinc/29/11/43/274291143.db2.gz GEAZRNIEEZRCSD-DLBZAZTESA-N 2 2 332.448 1.685 20 0 EDADLP CC(C)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1C ZINC000174151347 276045320 /nfs/dbraw/zinc/04/53/20/276045320.db2.gz PBRYFSUFKBVWGB-UHFFFAOYSA-N 2 2 347.507 1.832 20 0 EDADLP COC(=O)CCC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348089940 277315543 /nfs/dbraw/zinc/31/55/43/277315543.db2.gz SOTUQHKUMOFLTB-KGLIPLIRSA-N 2 2 326.416 1.218 20 0 EDADLP COC(=O)CCC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348089940 277315544 /nfs/dbraw/zinc/31/55/44/277315544.db2.gz SOTUQHKUMOFLTB-KGLIPLIRSA-N 2 2 326.416 1.218 20 0 EDADLP COc1ncccc1C[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348079202 278094361 /nfs/dbraw/zinc/09/43/61/278094361.db2.gz HTGXQSUVMXWKNF-CVEARBPZSA-N 2 2 347.438 1.868 20 0 EDADLP COc1ncccc1C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348079202 278094364 /nfs/dbraw/zinc/09/43/64/278094364.db2.gz HTGXQSUVMXWKNF-CVEARBPZSA-N 2 2 347.438 1.868 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1c1nc(N2CC[N@@H+](C)C[C@H]2C)ncc1Cl ZINC000443445043 288071472 /nfs/dbraw/zinc/07/14/72/288071472.db2.gz IMXPMEKIJXQRDW-CHWSQXEVSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1c1nc(N2CC[N@H+](C)C[C@H]2C)ncc1Cl ZINC000443445043 288071475 /nfs/dbraw/zinc/07/14/75/288071475.db2.gz IMXPMEKIJXQRDW-CHWSQXEVSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1c1ncc(Cl)c(N2CC[N@H+](C)C[C@H]2C)n1 ZINC000443445043 288071476 /nfs/dbraw/zinc/07/14/76/288071476.db2.gz IMXPMEKIJXQRDW-CHWSQXEVSA-N 2 2 338.887 1.411 20 0 EDADLP C[C@@H]1C[NH+](C)CCN1c1ncc(Cl)c(N2CC[N@@H+](C)C[C@H]2C)n1 ZINC000443445043 288071479 /nfs/dbraw/zinc/07/14/79/288071479.db2.gz IMXPMEKIJXQRDW-CHWSQXEVSA-N 2 2 338.887 1.411 20 0 EDADLP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)c1ccccc1 ZINC000178727968 279141512 /nfs/dbraw/zinc/14/15/12/279141512.db2.gz YFEDJYFIDNTKJB-ZWKOTPCHSA-N 2 2 330.476 1.186 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C)[C@H](c3[nH+]ccn3C)C1)C2 ZINC000329554403 279161924 /nfs/dbraw/zinc/16/19/24/279161924.db2.gz GSORHMVUFNIDBI-HOCLYGCPSA-N 2 2 342.447 1.003 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360562706 279236305 /nfs/dbraw/zinc/23/63/05/279236305.db2.gz MZLUNWOWVXEGCH-KUHUBIRLSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360562706 279236307 /nfs/dbraw/zinc/23/63/07/279236307.db2.gz MZLUNWOWVXEGCH-KUHUBIRLSA-N 2 2 345.443 1.860 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3O[C@@H](C)C[C@H]3C)CC2)CC1 ZINC000422008561 279258549 /nfs/dbraw/zinc/25/85/49/279258549.db2.gz ACNBYTYASZEJHY-SOLBZPMBSA-N 2 2 337.508 1.819 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3O[C@@H](C)C[C@H]3C)CC2)CC1 ZINC000422008561 279258551 /nfs/dbraw/zinc/25/85/51/279258551.db2.gz ACNBYTYASZEJHY-SOLBZPMBSA-N 2 2 337.508 1.819 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000286927688 288119779 /nfs/dbraw/zinc/11/97/79/288119779.db2.gz ZRWSSEXFZANNGW-QGZVFWFLSA-N 2 2 328.416 1.517 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000286927688 288119783 /nfs/dbraw/zinc/11/97/83/288119783.db2.gz ZRWSSEXFZANNGW-QGZVFWFLSA-N 2 2 328.416 1.517 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000346064178 279312404 /nfs/dbraw/zinc/31/24/04/279312404.db2.gz IBKHPUHCFJTRBS-QGZVFWFLSA-N 3 2 331.508 1.272 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000286966160 288127531 /nfs/dbraw/zinc/12/75/31/288127531.db2.gz DTBNVQZSTBGOQK-GOOCMWNKSA-N 2 2 345.447 1.595 20 0 EDADLP Cc1c[nH+]ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000286966160 288127532 /nfs/dbraw/zinc/12/75/32/288127532.db2.gz DTBNVQZSTBGOQK-GOOCMWNKSA-N 2 2 345.447 1.595 20 0 EDADLP CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000287040762 288143871 /nfs/dbraw/zinc/14/38/71/288143871.db2.gz SVLKHXFYIRDONG-OAHLLOKOSA-N 2 2 329.404 1.978 20 0 EDADLP CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000287040762 288143874 /nfs/dbraw/zinc/14/38/74/288143874.db2.gz SVLKHXFYIRDONG-OAHLLOKOSA-N 2 2 329.404 1.978 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H](C)O1 ZINC000329507370 288190287 /nfs/dbraw/zinc/19/02/87/288190287.db2.gz ZXMPGXSARVWOIB-YVSFHVDLSA-N 2 2 346.475 1.546 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H](C)O1 ZINC000329507370 288190291 /nfs/dbraw/zinc/19/02/91/288190291.db2.gz ZXMPGXSARVWOIB-YVSFHVDLSA-N 2 2 346.475 1.546 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000362668896 280160434 /nfs/dbraw/zinc/16/04/34/280160434.db2.gz IRPJXTGPUGGBKW-MDMSPXHWSA-N 2 2 337.508 1.815 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000362668896 280160437 /nfs/dbraw/zinc/16/04/37/280160437.db2.gz IRPJXTGPUGGBKW-MDMSPXHWSA-N 2 2 337.508 1.815 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000362668896 280160442 /nfs/dbraw/zinc/16/04/42/280160442.db2.gz IRPJXTGPUGGBKW-MDMSPXHWSA-N 2 2 337.508 1.815 20 0 EDADLP CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000362668896 280160444 /nfs/dbraw/zinc/16/04/44/280160444.db2.gz IRPJXTGPUGGBKW-MDMSPXHWSA-N 2 2 337.508 1.815 20 0 EDADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000236603707 280281149 /nfs/dbraw/zinc/28/11/49/280281149.db2.gz CSCLHGRTLFOTSL-RTBURBONSA-N 2 2 346.519 1.807 20 0 EDADLP CC[C@H](C)[N@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000287586261 288271476 /nfs/dbraw/zinc/27/14/76/288271476.db2.gz YDFVAXBKDGHHGF-INIZCTEOSA-N 2 2 334.464 1.213 20 0 EDADLP CC[C@H](C)[N@@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000287586261 288271477 /nfs/dbraw/zinc/27/14/77/288271477.db2.gz YDFVAXBKDGHHGF-INIZCTEOSA-N 2 2 334.464 1.213 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000247134520 281057489 /nfs/dbraw/zinc/05/74/89/281057489.db2.gz JNBQQVVDKFJUMV-SJORKVTESA-N 2 2 339.528 1.186 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000247134520 281057491 /nfs/dbraw/zinc/05/74/91/281057491.db2.gz JNBQQVVDKFJUMV-SJORKVTESA-N 2 2 339.528 1.186 20 0 EDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(-n2ccnn2)c1 ZINC000287826721 288333093 /nfs/dbraw/zinc/33/30/93/288333093.db2.gz VMZXMLLRTMSJJH-RHSMWYFYSA-N 2 2 342.447 1.258 20 0 EDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(-n2ccnn2)c1 ZINC000287826721 288333095 /nfs/dbraw/zinc/33/30/95/288333095.db2.gz VMZXMLLRTMSJJH-RHSMWYFYSA-N 2 2 342.447 1.258 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000359230038 281517535 /nfs/dbraw/zinc/51/75/35/281517535.db2.gz OZURUJKGGKSPOQ-ZIAGYGMSSA-N 2 2 330.432 1.563 20 0 EDADLP CN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287903047 288352149 /nfs/dbraw/zinc/35/21/49/288352149.db2.gz UVTYZMQDIQDPIC-PMRDEQMMSA-N 2 2 343.475 1.927 20 0 EDADLP CN(C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287903047 288352151 /nfs/dbraw/zinc/35/21/51/288352151.db2.gz UVTYZMQDIQDPIC-PMRDEQMMSA-N 2 2 343.475 1.927 20 0 EDADLP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[NH+]1CCSCC1 ZINC000288096521 288402667 /nfs/dbraw/zinc/40/26/67/288402667.db2.gz HTULIQPUXVBITI-XJKSGUPXSA-N 2 2 339.480 1.982 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@H](C)C[NH2+]C)[C@@H]1CC12CC[NH2+]CC2 ZINC000370163781 288716542 /nfs/dbraw/zinc/71/65/42/288716542.db2.gz QHAODVUNYIHOBU-HUUCEWRRSA-N 3 2 333.480 1.229 20 0 EDADLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333776352 288738769 /nfs/dbraw/zinc/73/87/69/288738769.db2.gz DAFFJYPPEDBYMD-HUUCEWRRSA-N 2 2 335.452 1.518 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)nn1 ZINC000289811545 288783718 /nfs/dbraw/zinc/78/37/18/288783718.db2.gz SDGPJSOKYLDIST-UHFFFAOYSA-N 2 2 329.452 1.296 20 0 EDADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188959363 289148144 /nfs/dbraw/zinc/14/81/44/289148144.db2.gz HMABLLALEAMJIC-UHFFFAOYSA-N 2 2 345.422 1.399 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292116456 289265174 /nfs/dbraw/zinc/26/51/74/289265174.db2.gz JSCXUPGGIDBEIU-BEFAXECRSA-N 2 2 331.460 1.900 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292116456 289265177 /nfs/dbraw/zinc/26/51/77/289265177.db2.gz JSCXUPGGIDBEIU-BEFAXECRSA-N 2 2 331.460 1.900 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292116456 289265179 /nfs/dbraw/zinc/26/51/79/289265179.db2.gz JSCXUPGGIDBEIU-BEFAXECRSA-N 2 2 331.460 1.900 20 0 EDADLP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292116456 289265182 /nfs/dbraw/zinc/26/51/82/289265182.db2.gz JSCXUPGGIDBEIU-BEFAXECRSA-N 2 2 331.460 1.900 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000372193460 289304170 /nfs/dbraw/zinc/30/41/70/289304170.db2.gz VAXFTKXCGHYODG-RYRKJORJSA-N 2 2 334.508 1.098 20 0 EDADLP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCN(C)CC1 ZINC000372193460 289304172 /nfs/dbraw/zinc/30/41/72/289304172.db2.gz VAXFTKXCGHYODG-RYRKJORJSA-N 2 2 334.508 1.098 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)c1cc(C[NH+]2CCCC2)on1 ZINC000292336530 289319590 /nfs/dbraw/zinc/31/95/90/289319590.db2.gz BCKWZLDCOSYMEE-UHFFFAOYSA-N 2 2 339.399 1.891 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331869987 289334072 /nfs/dbraw/zinc/33/40/72/289334072.db2.gz LTJMJPWMAAFTRJ-MNOVXSKESA-N 2 2 338.374 1.179 20 0 EDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331869987 289334077 /nfs/dbraw/zinc/33/40/77/289334077.db2.gz LTJMJPWMAAFTRJ-MNOVXSKESA-N 2 2 338.374 1.179 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000245981192 297017875 /nfs/dbraw/zinc/01/78/75/297017875.db2.gz YJECHZGTADKNGB-YVSFHVDLSA-N 2 2 346.475 1.546 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000245981192 297017877 /nfs/dbraw/zinc/01/78/77/297017877.db2.gz YJECHZGTADKNGB-YVSFHVDLSA-N 2 2 346.475 1.546 20 0 EDADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000175790270 293656232 /nfs/dbraw/zinc/65/62/32/293656232.db2.gz PNKFAIYHOVJAGI-GOEBONIOSA-N 2 2 335.452 1.086 20 0 EDADLP C[C@@H]1COCC[C@@H]1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000433465116 297136802 /nfs/dbraw/zinc/13/68/02/297136802.db2.gz ZFCHBZDIQKSMID-VYDXJSESSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H]1COCC[C@@H]1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000433465116 297136804 /nfs/dbraw/zinc/13/68/04/297136804.db2.gz ZFCHBZDIQKSMID-VYDXJSESSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349142 298169122 /nfs/dbraw/zinc/16/91/22/298169122.db2.gz BUTXJVLMYGWKAE-UMNHJUIQSA-N 2 2 348.274 1.811 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349142 298169123 /nfs/dbraw/zinc/16/91/23/298169123.db2.gz BUTXJVLMYGWKAE-UMNHJUIQSA-N 2 2 348.274 1.811 20 0 EDADLP C[NH+](C)CCCC(C)(C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000456168066 447312275 /nfs/dbraw/zinc/31/22/75/447312275.db2.gz KSJABAWULQHCED-UHFFFAOYSA-N 2 2 347.507 1.440 20 0 EDADLP CCCCNC(=O)C1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCCC1 ZINC000653084094 453265283 /nfs/dbraw/zinc/26/52/83/453265283.db2.gz UVPMCLAHSQBVDU-AWEZNQCLSA-N 2 2 326.485 1.001 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000164894286 302021099 /nfs/dbraw/zinc/02/10/99/302021099.db2.gz HAIVYUDZWMBMLH-IEBWSBKVSA-N 2 2 331.460 1.484 20 0 EDADLP C[C@@H](C[NH2+][C@H](c1cccs1)c1nnc[nH]1)CN1CC[NH+](C)CC1 ZINC000293648640 302997833 /nfs/dbraw/zinc/99/78/33/302997833.db2.gz IKZGTYIGCHKGLU-DZGCQCFKSA-N 2 2 334.493 1.429 20 0 EDADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(C(=O)OC)cc1 ZINC000293936275 303041008 /nfs/dbraw/zinc/04/10/08/303041008.db2.gz YGLJURREBCCKEC-IAGOWNOFSA-N 2 2 347.459 1.854 20 0 EDADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(C(=O)OC)cc1 ZINC000293936275 303041010 /nfs/dbraw/zinc/04/10/10/303041010.db2.gz YGLJURREBCCKEC-IAGOWNOFSA-N 2 2 347.459 1.854 20 0 EDADLP O=CN1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000294298777 303088706 /nfs/dbraw/zinc/08/87/06/303088706.db2.gz UXEPKYHGZIPHLW-LJQANCHMSA-N 2 2 331.460 1.442 20 0 EDADLP O=CN1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000294298777 303088708 /nfs/dbraw/zinc/08/87/08/303088708.db2.gz UXEPKYHGZIPHLW-LJQANCHMSA-N 2 2 331.460 1.442 20 0 EDADLP O=CN1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000294298777 303088711 /nfs/dbraw/zinc/08/87/11/303088711.db2.gz UXEPKYHGZIPHLW-LJQANCHMSA-N 2 2 331.460 1.442 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000294324516 303091760 /nfs/dbraw/zinc/09/17/60/303091760.db2.gz SHBZLICAEIFPBW-HNNXBMFYSA-N 2 2 348.447 1.344 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294459959 303110386 /nfs/dbraw/zinc/11/03/86/303110386.db2.gz DPCHTYIRFBUQRI-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294459959 303110389 /nfs/dbraw/zinc/11/03/89/303110389.db2.gz DPCHTYIRFBUQRI-UHFFFAOYSA-N 2 2 329.404 1.108 20 0 EDADLP CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000295128610 303176957 /nfs/dbraw/zinc/17/69/57/303176957.db2.gz XRPISUZNEFSCEE-CQSZACIVSA-N 2 2 336.461 1.598 20 0 EDADLP CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC[N@@H+]1C[C@@H](C)O ZINC000295374946 303211353 /nfs/dbraw/zinc/21/13/53/303211353.db2.gz RZELSVMNKHQADB-GDBMZVCRSA-N 2 2 343.431 1.185 20 0 EDADLP COC[C@]1(C)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000296835468 303340607 /nfs/dbraw/zinc/34/06/07/303340607.db2.gz SMLSBBSIHSLOOQ-LJQANCHMSA-N 2 2 346.475 1.479 20 0 EDADLP COC[C@]1(C)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000296835468 303340608 /nfs/dbraw/zinc/34/06/08/303340608.db2.gz SMLSBBSIHSLOOQ-LJQANCHMSA-N 2 2 346.475 1.479 20 0 EDADLP COC[C@@]1(C)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000296835436 303340646 /nfs/dbraw/zinc/34/06/46/303340646.db2.gz SMLSBBSIHSLOOQ-IBGZPJMESA-N 2 2 346.475 1.479 20 0 EDADLP COC[C@@]1(C)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000296835436 303340647 /nfs/dbraw/zinc/34/06/47/303340647.db2.gz SMLSBBSIHSLOOQ-IBGZPJMESA-N 2 2 346.475 1.479 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704193 453425414 /nfs/dbraw/zinc/42/54/14/453425414.db2.gz VOAKBIUXYBHRBN-MRXNPFEDSA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377742788 447332078 /nfs/dbraw/zinc/33/20/78/447332078.db2.gz LJDNXOYETXJWGK-MSOLQXFVSA-N 2 2 338.540 1.591 20 0 EDADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377742788 447332088 /nfs/dbraw/zinc/33/20/88/447332088.db2.gz LJDNXOYETXJWGK-MSOLQXFVSA-N 2 2 338.540 1.591 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)cc(C)[nH+]1 ZINC000422594971 304873451 /nfs/dbraw/zinc/87/34/51/304873451.db2.gz XOGFGVIXVSVJIM-UHFFFAOYSA-N 2 2 332.448 1.115 20 0 EDADLP COCC[NH2+]CCNCc1c[nH+]c2ccc(Br)cn12 ZINC000414891358 447346659 /nfs/dbraw/zinc/34/66/59/447346659.db2.gz VNYZSAAHYCGSJO-UHFFFAOYSA-N 2 2 327.226 1.422 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2c[nH+]ccc2N)nc[nH+]1 ZINC000422963048 304881284 /nfs/dbraw/zinc/88/12/84/304881284.db2.gz FGNSYMPKVLMVOR-QWHCGFSZSA-N 3 2 327.436 1.645 20 0 EDADLP [NH3+][C@@H](C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)C1CCC1 ZINC000423375104 304893913 /nfs/dbraw/zinc/89/39/13/304893913.db2.gz XLCNEQNODUFSHY-GOSISDBHSA-N 2 2 347.459 1.141 20 0 EDADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423934723 304919204 /nfs/dbraw/zinc/91/92/04/304919204.db2.gz ZPYBWYYPHFTMDV-ZBFHGGJFSA-N 2 2 344.459 1.802 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428038559 305005103 /nfs/dbraw/zinc/00/51/03/305005103.db2.gz YTJUSZOENJRRGT-IEBWSBKVSA-N 2 2 345.487 1.816 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428038559 305005104 /nfs/dbraw/zinc/00/51/04/305005104.db2.gz YTJUSZOENJRRGT-IEBWSBKVSA-N 2 2 345.487 1.816 20 0 EDADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000428041686 305005229 /nfs/dbraw/zinc/00/52/29/305005229.db2.gz RNAXERIOIWUTTJ-NVXWUHKLSA-N 2 2 346.450 1.158 20 0 EDADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2ccccc2F)CC1 ZINC000428041686 305005230 /nfs/dbraw/zinc/00/52/30/305005230.db2.gz RNAXERIOIWUTTJ-NVXWUHKLSA-N 2 2 346.450 1.158 20 0 EDADLP Cc1cnc([C@H](C)[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000428246597 305008939 /nfs/dbraw/zinc/00/89/39/305008939.db2.gz RLHFDGKBXUYMMU-AWEZNQCLSA-N 2 2 327.436 1.524 20 0 EDADLP CCn1nccc1C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000429704873 305035491 /nfs/dbraw/zinc/03/54/91/305035491.db2.gz BJVBIRZUFRVRJQ-GOSISDBHSA-N 2 2 343.475 1.754 20 0 EDADLP CCn1nccc1C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000429704873 305035492 /nfs/dbraw/zinc/03/54/92/305035492.db2.gz BJVBIRZUFRVRJQ-GOSISDBHSA-N 2 2 343.475 1.754 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000430583064 305056990 /nfs/dbraw/zinc/05/69/90/305056990.db2.gz LRTSZEHANLYTRC-MRXNPFEDSA-N 2 2 328.478 1.774 20 0 EDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000430583064 305056991 /nfs/dbraw/zinc/05/69/91/305056991.db2.gz LRTSZEHANLYTRC-MRXNPFEDSA-N 2 2 328.478 1.774 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430601901 305058034 /nfs/dbraw/zinc/05/80/34/305058034.db2.gz FDYLXLCNVLEHES-OAHLLOKOSA-N 2 2 335.448 1.251 20 0 EDADLP CCOc1ccc(OCCNC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430601901 305058035 /nfs/dbraw/zinc/05/80/35/305058035.db2.gz FDYLXLCNVLEHES-OAHLLOKOSA-N 2 2 335.448 1.251 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430609872 305058695 /nfs/dbraw/zinc/05/86/95/305058695.db2.gz IWOQTKDDAHASCY-ZDUSSCGKSA-N 2 2 332.473 1.626 20 0 EDADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430609872 305058696 /nfs/dbraw/zinc/05/86/96/305058696.db2.gz IWOQTKDDAHASCY-ZDUSSCGKSA-N 2 2 332.473 1.626 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430615552 305059190 /nfs/dbraw/zinc/05/91/90/305059190.db2.gz CLSDWGLUYZEACB-UHFFFAOYSA-N 2 2 333.476 1.912 20 0 EDADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430615552 305059191 /nfs/dbraw/zinc/05/91/91/305059191.db2.gz CLSDWGLUYZEACB-UHFFFAOYSA-N 2 2 333.476 1.912 20 0 EDADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000430706390 305063124 /nfs/dbraw/zinc/06/31/24/305063124.db2.gz MXAUPOFENAFEKD-MHORFTMASA-N 2 2 337.508 1.724 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430934905 305069275 /nfs/dbraw/zinc/06/92/75/305069275.db2.gz RGWLGBMGWCPVOO-ZBFHGGJFSA-N 2 2 347.459 1.046 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)C1 ZINC000430934905 305069276 /nfs/dbraw/zinc/06/92/76/305069276.db2.gz RGWLGBMGWCPVOO-ZBFHGGJFSA-N 2 2 347.459 1.046 20 0 EDADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430950622 305070457 /nfs/dbraw/zinc/07/04/57/305070457.db2.gz IIHYGDJAJGERBE-UKRRQHHQSA-N 2 2 335.448 1.250 20 0 EDADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430950622 305070458 /nfs/dbraw/zinc/07/04/58/305070458.db2.gz IIHYGDJAJGERBE-UKRRQHHQSA-N 2 2 335.448 1.250 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430960292 305071108 /nfs/dbraw/zinc/07/11/08/305071108.db2.gz ICAVIBINBDUZDF-GJZGRUSLSA-N 2 2 332.448 1.027 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430960292 305071109 /nfs/dbraw/zinc/07/11/09/305071109.db2.gz ICAVIBINBDUZDF-GJZGRUSLSA-N 2 2 332.448 1.027 20 0 EDADLP CCN1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000433474592 305110543 /nfs/dbraw/zinc/11/05/43/305110543.db2.gz KGLAOSYBTBYICS-IRXDYDNUSA-N 2 2 341.459 1.918 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000433950498 305115658 /nfs/dbraw/zinc/11/56/58/305115658.db2.gz XNNLVVOBKVCXKE-CVEARBPZSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000435376917 305139231 /nfs/dbraw/zinc/13/92/31/305139231.db2.gz WEBGDBVVCJOKOP-HNNXBMFYSA-N 2 2 343.431 1.374 20 0 EDADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000435376917 305139232 /nfs/dbraw/zinc/13/92/32/305139232.db2.gz WEBGDBVVCJOKOP-HNNXBMFYSA-N 2 2 343.431 1.374 20 0 EDADLP O=C1CCCN1CC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692558 305145593 /nfs/dbraw/zinc/14/55/93/305145593.db2.gz HBWYJINJJFJFDK-CQSZACIVSA-N 2 2 334.489 1.710 20 0 EDADLP O=C1CCCN1CC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692558 305145594 /nfs/dbraw/zinc/14/55/94/305145594.db2.gz HBWYJINJJFJFDK-CQSZACIVSA-N 2 2 334.489 1.710 20 0 EDADLP CCn1c(C)nnc1CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695370 305145609 /nfs/dbraw/zinc/14/56/09/305145609.db2.gz NFJGQKKZOHJMFG-OAHLLOKOSA-N 2 2 343.479 1.484 20 0 EDADLP CO[C@@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cs1 ZINC000436057835 305151720 /nfs/dbraw/zinc/15/17/20/305151720.db2.gz HHDJVRFBOCIQCC-GXTWGEPZSA-N 2 2 340.493 1.670 20 0 EDADLP CO[C@@H](C)c1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cs1 ZINC000436057835 305151721 /nfs/dbraw/zinc/15/17/21/305151721.db2.gz HHDJVRFBOCIQCC-GXTWGEPZSA-N 2 2 340.493 1.670 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)(N2CCOCC2)C1 ZINC000436480930 305158251 /nfs/dbraw/zinc/15/82/51/305158251.db2.gz KNWJHWFNFDHFKO-BARLLCKDSA-N 2 2 337.508 1.329 20 0 EDADLP CCOC1CC(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)(N2CCOCC2)C1 ZINC000436480930 305158252 /nfs/dbraw/zinc/15/82/52/305158252.db2.gz KNWJHWFNFDHFKO-BARLLCKDSA-N 2 2 337.508 1.329 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1C ZINC000438187155 305182723 /nfs/dbraw/zinc/18/27/23/305182723.db2.gz GNIUSFFKSGFUJI-PXAZEXFGSA-N 2 2 334.464 1.635 20 0 EDADLP CCOC(=O)Cn1nc(C)c(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)c1C ZINC000438187155 305182724 /nfs/dbraw/zinc/18/27/24/305182724.db2.gz GNIUSFFKSGFUJI-PXAZEXFGSA-N 2 2 334.464 1.635 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)(N2CCOCC2)C1 ZINC000444006642 305242588 /nfs/dbraw/zinc/24/25/88/305242588.db2.gz XRMNDEMIAPKMCL-PBHCIXSXSA-N 2 2 325.497 1.186 20 0 EDADLP CCOC1CC(C[NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)(N2CCOCC2)C1 ZINC000444006642 305242589 /nfs/dbraw/zinc/24/25/89/305242589.db2.gz XRMNDEMIAPKMCL-PBHCIXSXSA-N 2 2 325.497 1.186 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000447659350 305283788 /nfs/dbraw/zinc/28/37/88/305283788.db2.gz DVKZEHUETWWQNU-INIZCTEOSA-N 2 2 342.443 1.724 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCSC1 ZINC000448250905 305294402 /nfs/dbraw/zinc/29/44/02/305294402.db2.gz ZCVWAUAZVKZMMP-AWEZNQCLSA-N 2 2 328.526 1.407 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCSC1 ZINC000448250905 305294403 /nfs/dbraw/zinc/29/44/03/305294403.db2.gz ZCVWAUAZVKZMMP-AWEZNQCLSA-N 2 2 328.526 1.407 20 0 EDADLP CCN(CCO)CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449246575 305309552 /nfs/dbraw/zinc/30/95/52/305309552.db2.gz CGAICSBSHBMJOI-GOSISDBHSA-N 2 2 333.520 1.986 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000449350890 305312388 /nfs/dbraw/zinc/31/23/88/305312388.db2.gz XRWUBQLGGVSQNC-KFWWJZLASA-N 2 2 337.489 1.435 20 0 EDADLP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000450383364 305329510 /nfs/dbraw/zinc/32/95/10/305329510.db2.gz ZPKRNIVMZNGQNV-WMZOPIPTSA-N 2 2 328.460 1.702 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451329862 305339342 /nfs/dbraw/zinc/33/93/42/305339342.db2.gz YGMKSRGABWZZEQ-HNNXBMFYSA-N 2 2 325.840 1.079 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451329862 305339343 /nfs/dbraw/zinc/33/93/43/305339343.db2.gz YGMKSRGABWZZEQ-HNNXBMFYSA-N 2 2 325.840 1.079 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@](O)(C(F)F)C1)c1ccccc1 ZINC000451436338 305345940 /nfs/dbraw/zinc/34/59/40/305345940.db2.gz RUTWXBQSIOASCO-RHSMWYFYSA-N 2 2 341.402 1.107 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@](O)(C(F)F)C1)c1ccccc1 ZINC000451436338 305345941 /nfs/dbraw/zinc/34/59/41/305345941.db2.gz RUTWXBQSIOASCO-RHSMWYFYSA-N 2 2 341.402 1.107 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C2(OC)CCOCC2)nc[nH+]1 ZINC000453161742 305406199 /nfs/dbraw/zinc/40/61/99/305406199.db2.gz QHDPFEMDAHZVDA-LSDHHAIUSA-N 2 2 349.479 1.661 20 0 EDADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000454264178 305421395 /nfs/dbraw/zinc/42/13/95/305421395.db2.gz LKBUQBAMJHXHBG-IRXDYDNUSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000459900955 305528290 /nfs/dbraw/zinc/52/82/90/305528290.db2.gz JDRINJPBIXEDGZ-HNNXBMFYSA-N 2 2 349.479 1.162 20 0 EDADLP C[C@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C[NH+]1CCOCC1 ZINC000495841256 305650868 /nfs/dbraw/zinc/65/08/68/305650868.db2.gz OZUGDNSSQBWNAF-WLYUNCDWSA-N 2 2 327.469 1.600 20 0 EDADLP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2c[nH+]c(N(C)C)n2C)cn1 ZINC000419693072 447352582 /nfs/dbraw/zinc/35/25/82/447352582.db2.gz IAHQEUKFLGJOPZ-JKSUJKDBSA-N 2 2 332.452 1.712 20 0 EDADLP CCn1nnc(C)c1C[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000449122002 447362671 /nfs/dbraw/zinc/36/26/71/447362671.db2.gz JXAAYHQCCYCDGY-CYBMUJFWSA-N 2 2 330.440 1.197 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000534581003 306008251 /nfs/dbraw/zinc/00/82/51/306008251.db2.gz ZLSPODIWPSKPDT-CYBMUJFWSA-N 2 2 333.436 1.368 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000534581003 306008252 /nfs/dbraw/zinc/00/82/52/306008252.db2.gz ZLSPODIWPSKPDT-CYBMUJFWSA-N 2 2 333.436 1.368 20 0 EDADLP O=C(Cn1c[nH+]c2c1CCCC2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000537582405 306027775 /nfs/dbraw/zinc/02/77/75/306027775.db2.gz IQNONZFSCLJGMC-INIZCTEOSA-N 2 2 346.475 1.475 20 0 EDADLP CCc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000538603288 306031029 /nfs/dbraw/zinc/03/10/29/306031029.db2.gz VEJUOLNEZXQBNK-CQSZACIVSA-N 2 2 337.489 1.333 20 0 EDADLP CC[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCOCC1 ZINC000542157609 306051831 /nfs/dbraw/zinc/05/18/31/306051831.db2.gz WFASRNPORAOOHK-HOTGVXAUSA-N 2 2 334.464 1.706 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000544598069 306077135 /nfs/dbraw/zinc/07/71/35/306077135.db2.gz URQFYDOMOYZVPB-UHFFFAOYSA-N 2 2 331.464 1.706 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548391519 306126344 /nfs/dbraw/zinc/12/63/44/306126344.db2.gz MCIQNEOELVBYDJ-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548391519 306126343 /nfs/dbraw/zinc/12/63/43/306126343.db2.gz MCIQNEOELVBYDJ-MRXNPFEDSA-N 2 2 325.497 1.820 20 0 EDADLP O=C(NCC[NH+]1CCCCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000548779793 306137791 /nfs/dbraw/zinc/13/77/91/306137791.db2.gz FMXHMIOJIAEYRZ-UHFFFAOYSA-N 2 2 328.420 1.934 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000548901662 306141275 /nfs/dbraw/zinc/14/12/75/306141275.db2.gz IQANBAVHZCERMF-KRWDZBQOSA-N 2 2 331.460 1.551 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000548901662 306141276 /nfs/dbraw/zinc/14/12/76/306141276.db2.gz IQANBAVHZCERMF-KRWDZBQOSA-N 2 2 331.460 1.551 20 0 EDADLP COC(=O)c1cnoc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000551971800 306171985 /nfs/dbraw/zinc/17/19/85/306171985.db2.gz URFAYCZVKDGZRV-AWEZNQCLSA-N 2 2 336.436 1.062 20 0 EDADLP COC(=O)c1cnoc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000551971800 306171986 /nfs/dbraw/zinc/17/19/86/306171986.db2.gz URFAYCZVKDGZRV-AWEZNQCLSA-N 2 2 336.436 1.062 20 0 EDADLP Cc1nc2[nH]ccc2c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[nH+]1 ZINC000553655156 306187121 /nfs/dbraw/zinc/18/71/21/306187121.db2.gz WFOAKWIRXZTJJZ-AGUYFDCRSA-N 2 2 342.447 1.762 20 0 EDADLP Cc1nc2[nH]ccc2c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[nH+]1 ZINC000553655156 306187122 /nfs/dbraw/zinc/18/71/22/306187122.db2.gz WFOAKWIRXZTJJZ-AGUYFDCRSA-N 2 2 342.447 1.762 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000556686462 306213927 /nfs/dbraw/zinc/21/39/27/306213927.db2.gz LQGFNHWGJJEHSA-KRWDZBQOSA-N 3 2 338.540 1.591 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000556686462 306213928 /nfs/dbraw/zinc/21/39/28/306213928.db2.gz LQGFNHWGJJEHSA-KRWDZBQOSA-N 3 2 338.540 1.591 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000456386923 447383168 /nfs/dbraw/zinc/38/31/68/447383168.db2.gz RTVFONKDLJWBQV-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000456386923 447383173 /nfs/dbraw/zinc/38/31/73/447383173.db2.gz RTVFONKDLJWBQV-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000456386923 447383177 /nfs/dbraw/zinc/38/31/77/447383177.db2.gz RTVFONKDLJWBQV-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000456386923 447383183 /nfs/dbraw/zinc/38/31/83/447383183.db2.gz RTVFONKDLJWBQV-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP Cc1ccc(F)cc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071150 453661438 /nfs/dbraw/zinc/66/14/38/453661438.db2.gz HFYYKHONBJGFQA-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCSC3)CC2)CC1 ZINC000422179810 447390458 /nfs/dbraw/zinc/39/04/58/447390458.db2.gz LNLQBJHAXRFVDT-HNNXBMFYSA-N 2 2 340.537 1.694 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCSC3)CC2)CC1 ZINC000422179810 447390463 /nfs/dbraw/zinc/39/04/63/447390463.db2.gz LNLQBJHAXRFVDT-HNNXBMFYSA-N 2 2 340.537 1.694 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCc4occc4C3)C2)CC1 ZINC000378092087 447399909 /nfs/dbraw/zinc/39/99/09/447399909.db2.gz NPDDHKNXWSXUHD-INIZCTEOSA-N 2 2 346.475 1.906 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCc4occc4C3)C2)CC1 ZINC000378092087 447399912 /nfs/dbraw/zinc/39/99/12/447399912.db2.gz NPDDHKNXWSXUHD-INIZCTEOSA-N 2 2 346.475 1.906 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000378113235 447401623 /nfs/dbraw/zinc/40/16/23/447401623.db2.gz GBXJIAOGMNSANP-ZMSDIMECSA-N 2 2 349.479 1.332 20 0 EDADLP C[C@@H]1C[NH+](CC2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)C[C@@H](C)O1 ZINC000493852709 447411206 /nfs/dbraw/zinc/41/12/06/447411206.db2.gz ILRVIZXNAAGOHC-LPUOJRKPSA-N 2 2 332.448 1.771 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000070150137 441110826 /nfs/dbraw/zinc/11/08/26/441110826.db2.gz YBECJHHOHPMBHM-GFCCVEGCSA-N 2 2 341.253 1.986 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000070150137 441110830 /nfs/dbraw/zinc/11/08/30/441110830.db2.gz YBECJHHOHPMBHM-GFCCVEGCSA-N 2 2 341.253 1.986 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC000007995523 441078986 /nfs/dbraw/zinc/07/89/86/441078986.db2.gz ZIRRAPPIXIIGBJ-OAHLLOKOSA-N 2 2 346.475 1.031 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC000007995523 441078991 /nfs/dbraw/zinc/07/89/91/441078991.db2.gz ZIRRAPPIXIIGBJ-OAHLLOKOSA-N 2 2 346.475 1.031 20 0 EDADLP COC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080599375 441182112 /nfs/dbraw/zinc/18/21/12/441182112.db2.gz LTFKCPZUTJXJLD-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000071817856 441158641 /nfs/dbraw/zinc/15/86/41/441158641.db2.gz SAVZIVQXLIPQPE-UHFFFAOYSA-N 2 2 345.447 1.366 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000047854667 441230421 /nfs/dbraw/zinc/23/04/21/441230421.db2.gz QEYPTZTYPXHBSF-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP COc1ncccc1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105118270 441235876 /nfs/dbraw/zinc/23/58/76/441235876.db2.gz RCCUVOUQIRRTBJ-UHFFFAOYSA-N 2 2 349.479 1.258 20 0 EDADLP COc1ncccc1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105118270 441235880 /nfs/dbraw/zinc/23/58/80/441235880.db2.gz RCCUVOUQIRRTBJ-UHFFFAOYSA-N 2 2 349.479 1.258 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1 ZINC000104717159 441200043 /nfs/dbraw/zinc/20/00/43/441200043.db2.gz LCMMHTKMLVJWEP-KRWDZBQOSA-N 2 2 327.428 1.816 20 0 EDADLP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000105070578 441229890 /nfs/dbraw/zinc/22/98/90/441229890.db2.gz SVKFXAUOBUMBMG-KGLIPLIRSA-N 2 2 340.512 1.704 20 0 EDADLP O=C(C[NH+]1CCSCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000047988594 441246302 /nfs/dbraw/zinc/24/63/02/441246302.db2.gz NLPAPRNTFMXONT-UHFFFAOYSA-N 2 2 335.473 1.506 20 0 EDADLP C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105292998 441247861 /nfs/dbraw/zinc/24/78/61/441247861.db2.gz AWIYCNPTIRITHF-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105292998 441247864 /nfs/dbraw/zinc/24/78/64/441247864.db2.gz AWIYCNPTIRITHF-HUUCEWRRSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105298105 441249303 /nfs/dbraw/zinc/24/93/03/441249303.db2.gz QCWNBXPQSNERRU-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965336 441279612 /nfs/dbraw/zinc/27/96/12/441279612.db2.gz VMNUKQTWWYSHKY-JKSUJKDBSA-N 2 2 331.526 1.512 20 0 EDADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965336 441279615 /nfs/dbraw/zinc/27/96/15/441279615.db2.gz VMNUKQTWWYSHKY-JKSUJKDBSA-N 2 2 331.526 1.512 20 0 EDADLP CCS(=O)(=O)NCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965336 441279618 /nfs/dbraw/zinc/27/96/18/441279618.db2.gz VMNUKQTWWYSHKY-JKSUJKDBSA-N 2 2 331.526 1.512 20 0 EDADLP CCS(=O)(=O)NCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965336 441279621 /nfs/dbraw/zinc/27/96/21/441279621.db2.gz VMNUKQTWWYSHKY-JKSUJKDBSA-N 2 2 331.526 1.512 20 0 EDADLP CC(C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[NH+](C)C ZINC000106432895 441343440 /nfs/dbraw/zinc/34/34/40/441343440.db2.gz UXTXMUMCZRJBEW-SFHVURJKSA-N 2 2 333.476 1.721 20 0 EDADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000105875918 441304136 /nfs/dbraw/zinc/30/41/36/441304136.db2.gz TUUXTPVSDMALCT-UHFFFAOYSA-N 2 2 337.431 1.851 20 0 EDADLP CCc1noc(C)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050801122 441390597 /nfs/dbraw/zinc/39/05/97/441390597.db2.gz CZOHIWNDXGDNTL-UHFFFAOYSA-N 2 2 334.464 1.834 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(O)cc3)CC2)CC1 ZINC000051777847 441422712 /nfs/dbraw/zinc/42/27/12/441422712.db2.gz XZYKGUHLCZZHHX-UHFFFAOYSA-N 2 2 346.475 1.750 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065423511 441431515 /nfs/dbraw/zinc/43/15/15/441431515.db2.gz LNVNZKOJEOAJIK-HOTGVXAUSA-N 2 2 346.475 1.618 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065423511 441431516 /nfs/dbraw/zinc/43/15/16/441431516.db2.gz LNVNZKOJEOAJIK-HOTGVXAUSA-N 2 2 346.475 1.618 20 0 EDADLP CC(C)C[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000109257558 441492700 /nfs/dbraw/zinc/49/27/00/441492700.db2.gz MWFLJYAGPPOCMJ-BZSNNMDCSA-N 2 2 339.524 1.920 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC4(CC3)OCCO4)c2cc1C ZINC000052533641 441458685 /nfs/dbraw/zinc/45/86/85/441458685.db2.gz VMXJBPFSHFUWBD-MRXNPFEDSA-N 2 2 345.443 1.853 20 0 EDADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000089156636 441528026 /nfs/dbraw/zinc/52/80/26/441528026.db2.gz XDGGYZFIIXCNMG-MRXNPFEDSA-N 2 2 341.496 1.801 20 0 EDADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000109786498 441506912 /nfs/dbraw/zinc/50/69/12/441506912.db2.gz UCCRVZPISYCKST-ROUUACIJSA-N 2 2 337.508 1.963 20 0 EDADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000109786498 441506918 /nfs/dbraw/zinc/50/69/18/441506918.db2.gz UCCRVZPISYCKST-ROUUACIJSA-N 2 2 337.508 1.963 20 0 EDADLP COc1ccc(CNC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109796293 441507538 /nfs/dbraw/zinc/50/75/38/441507538.db2.gz YERNAWWPCYEJRO-UHFFFAOYSA-N 2 2 328.416 1.845 20 0 EDADLP O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795217 441508188 /nfs/dbraw/zinc/50/81/88/441508188.db2.gz ZAYOVQDGHBZWOK-HNNXBMFYSA-N 2 2 345.399 1.689 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076002672 441576151 /nfs/dbraw/zinc/57/61/51/441576151.db2.gz FIJHSGDARWIKEO-KRWDZBQOSA-N 2 2 328.416 1.713 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000076002672 441576155 /nfs/dbraw/zinc/57/61/55/441576155.db2.gz FIJHSGDARWIKEO-KRWDZBQOSA-N 2 2 328.416 1.713 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccc(OC)cc3C2)CC1 ZINC000066961885 441595669 /nfs/dbraw/zinc/59/56/69/441595669.db2.gz QBKSUFBVCYMORB-UHFFFAOYSA-N 2 2 331.460 1.654 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccc(OC)cc3C2)CC1 ZINC000066961885 441595674 /nfs/dbraw/zinc/59/56/74/441595674.db2.gz QBKSUFBVCYMORB-UHFFFAOYSA-N 2 2 331.460 1.654 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114480477 441662764 /nfs/dbraw/zinc/66/27/64/441662764.db2.gz RAWNHRVCFMUPFQ-CYBMUJFWSA-N 2 2 334.420 1.227 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000114480477 441662768 /nfs/dbraw/zinc/66/27/68/441662768.db2.gz RAWNHRVCFMUPFQ-CYBMUJFWSA-N 2 2 334.420 1.227 20 0 EDADLP Cc1cccc(NC2CC[NH+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)[nH+]1 ZINC000077316891 441754054 /nfs/dbraw/zinc/75/40/54/441754054.db2.gz MFVLCGOOJAHEBY-IYBDPMFKSA-N 2 2 346.475 1.902 20 0 EDADLP CC1CCC([NH+]2CCN(C(=O)NCC[NH+]3CCOCC3)CC2)CC1 ZINC000115648585 441766969 /nfs/dbraw/zinc/76/69/69/441766969.db2.gz HMUDDIWJJSVRDR-UHFFFAOYSA-N 2 2 338.496 1.225 20 0 EDADLP C[NH+](C)CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000042923574 441798832 /nfs/dbraw/zinc/79/88/32/441798832.db2.gz ZELSPUYRYQDLQR-QGZVFWFLSA-N 2 2 334.464 1.311 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NCCC[NH+](C)C)[NH+]2CCOCC2)c1 ZINC000042922104 441798846 /nfs/dbraw/zinc/79/88/46/441798846.db2.gz PAQZOLQFIUNURQ-SFHVURJKSA-N 2 2 348.491 1.619 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000173641094 441811999 /nfs/dbraw/zinc/81/19/99/441811999.db2.gz VQXWYYYKDYUZJH-HWOWSKLDSA-N 2 2 325.497 1.770 20 0 EDADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000173904524 441858326 /nfs/dbraw/zinc/85/83/26/441858326.db2.gz YGBGCSAORGWHJN-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000173904524 441858333 /nfs/dbraw/zinc/85/83/33/441858333.db2.gz YGBGCSAORGWHJN-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000173904524 441858339 /nfs/dbraw/zinc/85/83/39/441858339.db2.gz YGBGCSAORGWHJN-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cccc(OC)c2)C1 ZINC000173904524 441858342 /nfs/dbraw/zinc/85/83/42/441858342.db2.gz YGBGCSAORGWHJN-QGZVFWFLSA-N 2 2 333.476 1.927 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(Br)cs1 ZINC000093159069 441861153 /nfs/dbraw/zinc/86/11/53/441861153.db2.gz CLUFBAFHWZBLSI-UHFFFAOYSA-N 2 2 346.294 1.716 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cc(Br)cs1 ZINC000093159069 441861157 /nfs/dbraw/zinc/86/11/57/441861157.db2.gz CLUFBAFHWZBLSI-UHFFFAOYSA-N 2 2 346.294 1.716 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068638303 441834495 /nfs/dbraw/zinc/83/44/95/441834495.db2.gz LKNMZBZMPOFQBM-HNNXBMFYSA-N 2 2 332.448 1.022 20 0 EDADLP Cc1cc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000043534156 441846294 /nfs/dbraw/zinc/84/62/94/441846294.db2.gz IYKLLHGXKYPIKJ-KRWDZBQOSA-N 2 2 325.416 1.442 20 0 EDADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173877577 441854674 /nfs/dbraw/zinc/85/46/74/441854674.db2.gz QLMYNEFNDJEKKR-QGZVFWFLSA-N 2 2 325.497 1.727 20 0 EDADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173877577 441854680 /nfs/dbraw/zinc/85/46/80/441854680.db2.gz QLMYNEFNDJEKKR-QGZVFWFLSA-N 2 2 325.497 1.727 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nc(C)[nH+]1 ZINC000069228187 441906003 /nfs/dbraw/zinc/90/60/03/441906003.db2.gz OQXXDWUXZKIQDS-KRWDZBQOSA-N 2 2 342.443 1.655 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000093334385 441879883 /nfs/dbraw/zinc/87/98/83/441879883.db2.gz OQBZWQDJPPXIGY-WMZOPIPTSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000093334385 441879885 /nfs/dbraw/zinc/87/98/85/441879885.db2.gz OQBZWQDJPPXIGY-WMZOPIPTSA-N 2 2 331.460 1.034 20 0 EDADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000150772345 441946755 /nfs/dbraw/zinc/94/67/55/441946755.db2.gz NBLITPGFXZUPBM-KURKYZTESA-N 2 2 335.492 1.574 20 0 EDADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000150772345 441946760 /nfs/dbraw/zinc/94/67/60/441946760.db2.gz NBLITPGFXZUPBM-KURKYZTESA-N 2 2 335.492 1.574 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CCS(=O)(=O)c1ccccc1 ZINC000174714953 441957576 /nfs/dbraw/zinc/95/75/76/441957576.db2.gz FRCRUAUXYPKSAX-UHFFFAOYSA-N 2 2 339.505 1.030 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CCS(=O)(=O)c1ccccc1 ZINC000174714953 441957582 /nfs/dbraw/zinc/95/75/82/441957582.db2.gz FRCRUAUXYPKSAX-UHFFFAOYSA-N 2 2 339.505 1.030 20 0 EDADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000151001332 441989038 /nfs/dbraw/zinc/98/90/38/441989038.db2.gz HECOGQSMUWGGJX-AEFFLSMTSA-N 3 2 341.459 1.012 20 0 EDADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000175143447 442008148 /nfs/dbraw/zinc/00/81/48/442008148.db2.gz PMUZFHDQKSOCBN-KURKYZTESA-N 2 2 338.540 1.732 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCn2ccnc21 ZINC000175153306 442009938 /nfs/dbraw/zinc/00/99/38/442009938.db2.gz KWIMYTMBACIXJG-MRXNPFEDSA-N 2 2 333.480 1.245 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCn2ccnc21 ZINC000175153306 442009943 /nfs/dbraw/zinc/00/99/43/442009943.db2.gz KWIMYTMBACIXJG-MRXNPFEDSA-N 2 2 333.480 1.245 20 0 EDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151221298 442026387 /nfs/dbraw/zinc/02/63/87/442026387.db2.gz DZXGALMHCGZYSI-HOCLYGCPSA-N 2 2 328.416 1.992 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803266 442043651 /nfs/dbraw/zinc/04/36/51/442043651.db2.gz WTKABPYSDCVOBT-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803266 442043657 /nfs/dbraw/zinc/04/36/57/442043657.db2.gz WTKABPYSDCVOBT-IEBWSBKVSA-N 2 2 345.487 1.736 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000151363412 442048664 /nfs/dbraw/zinc/04/86/64/442048664.db2.gz PBMJJRMFBIXOON-MJGOQNOKSA-N 3 2 341.540 1.560 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000151363412 442048670 /nfs/dbraw/zinc/04/86/70/442048670.db2.gz PBMJJRMFBIXOON-MJGOQNOKSA-N 3 2 341.540 1.560 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069855931 442057803 /nfs/dbraw/zinc/05/78/03/442057803.db2.gz WUAIYSQJWZJATF-MSOLQXFVSA-N 2 2 337.508 1.822 20 0 EDADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069855931 442057809 /nfs/dbraw/zinc/05/78/09/442057809.db2.gz WUAIYSQJWZJATF-MSOLQXFVSA-N 2 2 337.508 1.822 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856363 442058137 /nfs/dbraw/zinc/05/81/37/442058137.db2.gz WRCFSTQFWGPVEX-RTBURBONSA-N 2 2 348.487 1.779 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856363 442058145 /nfs/dbraw/zinc/05/81/45/442058145.db2.gz WRCFSTQFWGPVEX-RTBURBONSA-N 2 2 348.487 1.779 20 0 EDADLP CC[N@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C1CC1 ZINC000151460156 442065983 /nfs/dbraw/zinc/06/59/83/442065983.db2.gz XWASZKYEMUQMGR-HUUCEWRRSA-N 2 2 346.475 1.796 20 0 EDADLP CC[N@@H+](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)C1CC1 ZINC000151460156 442065987 /nfs/dbraw/zinc/06/59/87/442065987.db2.gz XWASZKYEMUQMGR-HUUCEWRRSA-N 2 2 346.475 1.796 20 0 EDADLP C[C@@H](CSc1ccc(F)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162322602 442083371 /nfs/dbraw/zinc/08/33/71/442083371.db2.gz XDWISNRFZQAFDG-JSGCOSHPSA-N 2 2 325.453 1.655 20 0 EDADLP C[C@@H](CSc1ccc(F)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162322602 442083376 /nfs/dbraw/zinc/08/33/76/442083376.db2.gz XDWISNRFZQAFDG-JSGCOSHPSA-N 2 2 325.453 1.655 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000080052816 442110472 /nfs/dbraw/zinc/11/04/72/442110472.db2.gz FNAVCZABRGDOSA-MRXNPFEDSA-N 2 2 335.452 1.088 20 0 EDADLP Cc1cccc(NC(=O)CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000126445092 442112599 /nfs/dbraw/zinc/11/25/99/442112599.db2.gz HZHIFONJACOELM-UHFFFAOYSA-N 2 2 332.492 1.891 20 0 EDADLP Cc1cccc(NC(=O)CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000126445092 442112605 /nfs/dbraw/zinc/11/26/05/442112605.db2.gz HZHIFONJACOELM-UHFFFAOYSA-N 2 2 332.492 1.891 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126445092 442112611 /nfs/dbraw/zinc/11/26/11/442112611.db2.gz HZHIFONJACOELM-UHFFFAOYSA-N 2 2 332.492 1.891 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126445092 442112615 /nfs/dbraw/zinc/11/26/15/442112615.db2.gz HZHIFONJACOELM-UHFFFAOYSA-N 2 2 332.492 1.891 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)Oc1ccccc1 ZINC000175764686 442118307 /nfs/dbraw/zinc/11/83/07/442118307.db2.gz HTGNDEVYUYIALF-INIZCTEOSA-N 2 2 348.491 1.779 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1 ZINC000127059116 442166104 /nfs/dbraw/zinc/16/61/04/442166104.db2.gz SBCOSDKJMWQCAV-HZPDHXFCSA-N 2 2 349.500 1.844 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000176062898 442169774 /nfs/dbraw/zinc/16/97/74/442169774.db2.gz FNEIOFRXDAAXJO-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000176062898 442169777 /nfs/dbraw/zinc/16/97/77/442169777.db2.gz FNEIOFRXDAAXJO-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000176062898 442169781 /nfs/dbraw/zinc/16/97/81/442169781.db2.gz FNEIOFRXDAAXJO-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127458142 442204923 /nfs/dbraw/zinc/20/49/23/442204923.db2.gz NHLRIMGZJSZTCE-GFCCVEGCSA-N 2 2 330.245 1.924 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127458142 442204926 /nfs/dbraw/zinc/20/49/26/442204926.db2.gz NHLRIMGZJSZTCE-GFCCVEGCSA-N 2 2 330.245 1.924 20 0 EDADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000121322190 442203279 /nfs/dbraw/zinc/20/32/79/442203279.db2.gz ZMOKDQKYHNJEAS-UHFFFAOYSA-N 2 2 341.459 1.516 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1n[nH]c2c1CCCC2 ZINC000170813102 442267820 /nfs/dbraw/zinc/26/78/20/442267820.db2.gz MUAGRAQJABYRMT-UHFFFAOYSA-N 2 2 333.480 1.387 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1n[nH]c2c1CCCC2 ZINC000170813102 442267822 /nfs/dbraw/zinc/26/78/22/442267822.db2.gz MUAGRAQJABYRMT-UHFFFAOYSA-N 2 2 333.480 1.387 20 0 EDADLP C[N@@H+]1CCCN(CCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000128679511 442281813 /nfs/dbraw/zinc/28/18/13/442281813.db2.gz JJSGIJHUPPLJEC-UHFFFAOYSA-N 3 2 345.535 1.663 20 0 EDADLP C[N@H+]1CCCN(CCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000128679511 442281818 /nfs/dbraw/zinc/28/18/18/442281818.db2.gz JJSGIJHUPPLJEC-UHFFFAOYSA-N 3 2 345.535 1.663 20 0 EDADLP C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177113581 442298432 /nfs/dbraw/zinc/29/84/32/442298432.db2.gz OKNCTLWHILCGRH-KDOFPFPSSA-N 2 2 347.459 1.357 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCSC1 ZINC000153754168 442300908 /nfs/dbraw/zinc/30/09/08/442300908.db2.gz AOPNYJSGLPNZDX-MRXNPFEDSA-N 2 2 334.489 1.163 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CCSC1 ZINC000153754168 442300911 /nfs/dbraw/zinc/30/09/11/442300911.db2.gz AOPNYJSGLPNZDX-MRXNPFEDSA-N 2 2 334.489 1.163 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](C)N2CC[NH+](C)CC2)c1C ZINC000171283986 442338352 /nfs/dbraw/zinc/33/83/52/442338352.db2.gz WDINKFZQMZSYBU-HNNXBMFYSA-N 2 2 334.464 1.301 20 0 EDADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000130268019 442342669 /nfs/dbraw/zinc/34/26/69/442342669.db2.gz HCDNOKIUEFJICN-OAHLLOKOSA-N 2 2 325.840 1.600 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000131460354 442372821 /nfs/dbraw/zinc/37/28/21/442372821.db2.gz OZWOKGQIOJMDKV-NXEZZACHSA-N 2 2 327.226 1.452 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000131460354 442372824 /nfs/dbraw/zinc/37/28/24/442372824.db2.gz OZWOKGQIOJMDKV-NXEZZACHSA-N 2 2 327.226 1.452 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000132390833 442392339 /nfs/dbraw/zinc/39/23/39/442392339.db2.gz XHKUDVPQMQJAPJ-OAHLLOKOSA-N 2 2 337.468 1.271 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC3CC[NH+](CC4CC4)CC3)nc[nH+]2)C1 ZINC000171543352 442355489 /nfs/dbraw/zinc/35/54/89/442355489.db2.gz ZHTBDSUEBNOFAJ-MRXNPFEDSA-N 2 2 345.491 1.972 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NC3CC[NH+](CC4CC4)CC3)[nH+]cn2)C1 ZINC000171543352 442355493 /nfs/dbraw/zinc/35/54/93/442355493.db2.gz ZHTBDSUEBNOFAJ-MRXNPFEDSA-N 2 2 345.491 1.972 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC[N@@H+]1CCOC ZINC000131020086 442362719 /nfs/dbraw/zinc/36/27/19/442362719.db2.gz DONPICISJNKGRJ-HZPDHXFCSA-N 2 2 343.537 1.383 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC[N@H+]1CCOC ZINC000131020086 442362720 /nfs/dbraw/zinc/36/27/20/442362720.db2.gz DONPICISJNKGRJ-HZPDHXFCSA-N 2 2 343.537 1.383 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000133305406 442412166 /nfs/dbraw/zinc/41/21/66/442412166.db2.gz PVVFMMBCEMQQNQ-CVEARBPZSA-N 2 2 347.528 1.987 20 0 EDADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000133305406 442412170 /nfs/dbraw/zinc/41/21/70/442412170.db2.gz PVVFMMBCEMQQNQ-CVEARBPZSA-N 2 2 347.528 1.987 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@]1(C)CCCO1 ZINC000133456363 442419241 /nfs/dbraw/zinc/41/92/41/442419241.db2.gz ODBUNBAAALIUTN-KRWDZBQOSA-N 2 2 326.485 1.223 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@]1(C)CCCO1 ZINC000133456363 442419242 /nfs/dbraw/zinc/41/92/42/442419242.db2.gz ODBUNBAAALIUTN-KRWDZBQOSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000133628913 442426703 /nfs/dbraw/zinc/42/67/03/442426703.db2.gz YXTUEGHYLOQVKJ-FGTMMUONSA-N 3 2 346.523 1.307 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000133628913 442426706 /nfs/dbraw/zinc/42/67/06/442426706.db2.gz YXTUEGHYLOQVKJ-FGTMMUONSA-N 3 2 346.523 1.307 20 0 EDADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000155806514 442428496 /nfs/dbraw/zinc/42/84/96/442428496.db2.gz SFHSILRPNVQFNP-INIZCTEOSA-N 2 2 329.448 1.858 20 0 EDADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000155806514 442428499 /nfs/dbraw/zinc/42/84/99/442428499.db2.gz SFHSILRPNVQFNP-INIZCTEOSA-N 2 2 329.448 1.858 20 0 EDADLP Cc1ccc(NCCCNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)[nH+]c1 ZINC000156571729 442496467 /nfs/dbraw/zinc/49/64/67/442496467.db2.gz MZOOHOPHNQDIDZ-MRXNPFEDSA-N 2 2 349.479 1.460 20 0 EDADLP CCOC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000191774077 442508869 /nfs/dbraw/zinc/50/88/69/442508869.db2.gz WWIXTFDWMNGELH-KRWDZBQOSA-N 2 2 342.528 1.715 20 0 EDADLP CCOC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000191774077 442508871 /nfs/dbraw/zinc/50/88/71/442508871.db2.gz WWIXTFDWMNGELH-KRWDZBQOSA-N 2 2 342.528 1.715 20 0 EDADLP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2[nH+]ccn2c1 ZINC000178735144 442469207 /nfs/dbraw/zinc/46/92/07/442469207.db2.gz ZLIWRRJLBCETCO-IRXDYDNUSA-N 2 2 342.443 1.832 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1cccnc1 ZINC000179517485 442470742 /nfs/dbraw/zinc/47/07/42/442470742.db2.gz RCEAPYCMQRRPOD-INIZCTEOSA-N 2 2 339.443 1.646 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1cccnc1 ZINC000179517485 442470745 /nfs/dbraw/zinc/47/07/45/442470745.db2.gz RCEAPYCMQRRPOD-INIZCTEOSA-N 2 2 339.443 1.646 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000156411461 442477610 /nfs/dbraw/zinc/47/76/10/442477610.db2.gz QEOHHHNWNFLYFP-HIFRSBDPSA-N 2 2 345.403 1.385 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000156411461 442477612 /nfs/dbraw/zinc/47/76/12/442477612.db2.gz QEOHHHNWNFLYFP-HIFRSBDPSA-N 2 2 345.403 1.385 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178888733 442515277 /nfs/dbraw/zinc/51/52/77/442515277.db2.gz LTBVIQLCAWPJQH-IAGOWNOFSA-N 2 2 343.475 1.930 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4sccc4C3)cn2)CC1 ZINC000179887821 442515922 /nfs/dbraw/zinc/51/59/22/442515922.db2.gz CEKHRZFRITZBBT-UHFFFAOYSA-N 2 2 329.473 1.848 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4sccc4C3)cn2)CC1 ZINC000179887821 442515926 /nfs/dbraw/zinc/51/59/26/442515926.db2.gz CEKHRZFRITZBBT-UHFFFAOYSA-N 2 2 329.473 1.848 20 0 EDADLP O=C1NCCCN1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000135420369 442594789 /nfs/dbraw/zinc/59/47/89/442594789.db2.gz BGVWESKZMCQXHN-UHFFFAOYSA-N 2 2 340.431 1.647 20 0 EDADLP CCOC(=O)C1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000158096656 442645713 /nfs/dbraw/zinc/64/57/13/442645713.db2.gz DKXUJINNXBVPKI-UHFFFAOYSA-N 2 2 347.463 1.004 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000180761187 442657154 /nfs/dbraw/zinc/65/71/54/442657154.db2.gz VYPDQFVWNRTIKV-LSDHHAIUSA-N 2 2 337.468 1.136 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000180761187 442657158 /nfs/dbraw/zinc/65/71/58/442657158.db2.gz VYPDQFVWNRTIKV-LSDHHAIUSA-N 2 2 337.468 1.136 20 0 EDADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1(C)C ZINC000188067083 442707572 /nfs/dbraw/zinc/70/75/72/442707572.db2.gz WTUVHAWHUXFKKC-KDOFPFPSSA-N 2 2 343.431 1.416 20 0 EDADLP COc1ccc([C@@H](NC(=O)c2coc(C[NH3+])c2)c2[nH+]ccn2C)cc1 ZINC000188045625 442705338 /nfs/dbraw/zinc/70/53/38/442705338.db2.gz BCSOKWMFQGHIAM-MRXNPFEDSA-N 2 2 340.383 2.000 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188268424 442731759 /nfs/dbraw/zinc/73/17/59/442731759.db2.gz SVLXZIIEGMPALI-ABSDTBQOSA-N 2 2 347.503 1.858 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188268424 442731760 /nfs/dbraw/zinc/73/17/60/442731760.db2.gz SVLXZIIEGMPALI-ABSDTBQOSA-N 2 2 347.503 1.858 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188268424 442731762 /nfs/dbraw/zinc/73/17/62/442731762.db2.gz SVLXZIIEGMPALI-ABSDTBQOSA-N 2 2 347.503 1.858 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188268424 442731763 /nfs/dbraw/zinc/73/17/63/442731763.db2.gz SVLXZIIEGMPALI-ABSDTBQOSA-N 2 2 347.503 1.858 20 0 EDADLP C[C@@H](CCNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000181695712 442710400 /nfs/dbraw/zinc/71/04/00/442710400.db2.gz RUKDZNQOVUSVLR-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H](CCNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CCCCC1 ZINC000181695712 442710402 /nfs/dbraw/zinc/71/04/02/442710402.db2.gz RUKDZNQOVUSVLR-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)c1 ZINC000188758761 442806170 /nfs/dbraw/zinc/80/61/70/442806170.db2.gz ZWSPNHSARZPOFV-UKPHBRMFSA-N 2 2 335.423 1.600 20 0 EDADLP O=C(C1CC[NH+](C2CC2)CC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000194070220 442840788 /nfs/dbraw/zinc/84/07/88/442840788.db2.gz RAUCVNGUBITSHL-UHFFFAOYSA-N 2 2 328.460 1.600 20 0 EDADLP COC(=O)c1coc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182888625 442842375 /nfs/dbraw/zinc/84/23/75/442842375.db2.gz OIFRUBZHDJNGCA-MRXNPFEDSA-N 2 2 335.448 1.668 20 0 EDADLP COC(=O)c1coc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182888625 442842378 /nfs/dbraw/zinc/84/23/78/442842378.db2.gz OIFRUBZHDJNGCA-MRXNPFEDSA-N 2 2 335.448 1.668 20 0 EDADLP CCC[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)CC1 ZINC000189173028 442890952 /nfs/dbraw/zinc/89/09/52/442890952.db2.gz ACBHDXOXMMRKQR-UHFFFAOYSA-N 2 2 340.489 1.417 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCC[N@@H+]1CCCOCC1 ZINC000189466205 442961174 /nfs/dbraw/zinc/96/11/74/442961174.db2.gz KYUBXVJJXBKFRG-QPJJXVBHSA-N 2 2 340.427 1.724 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCC[N@H+]1CCCOCC1 ZINC000189466205 442961176 /nfs/dbraw/zinc/96/11/76/442961176.db2.gz KYUBXVJJXBKFRG-QPJJXVBHSA-N 2 2 340.427 1.724 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC(C)(C)O1 ZINC000249271808 442962437 /nfs/dbraw/zinc/96/24/37/442962437.db2.gz BKHRJDRMJGIZJT-DOTOQJQBSA-N 2 2 333.476 1.905 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC(C)(C)O1 ZINC000249271808 442962441 /nfs/dbraw/zinc/96/24/41/442962441.db2.gz BKHRJDRMJGIZJT-DOTOQJQBSA-N 2 2 333.476 1.905 20 0 EDADLP COc1ccccc1OCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183811508 442966482 /nfs/dbraw/zinc/96/64/82/442966482.db2.gz DMLNIMVKJIKDJT-UHFFFAOYSA-N 2 2 328.416 1.995 20 0 EDADLP C[C@@H]1CCSCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000189685579 442993808 /nfs/dbraw/zinc/99/38/08/442993808.db2.gz ZTZPIFUOVCYYIN-CQSZACIVSA-N 2 2 328.526 1.549 20 0 EDADLP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000184607654 443048415 /nfs/dbraw/zinc/04/84/15/443048415.db2.gz WQEDHPWTKCGTRK-KRWDZBQOSA-N 2 2 331.464 1.393 20 0 EDADLP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000184607654 443048419 /nfs/dbraw/zinc/04/84/19/443048419.db2.gz WQEDHPWTKCGTRK-KRWDZBQOSA-N 2 2 331.464 1.393 20 0 EDADLP CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1C ZINC000251994286 443021679 /nfs/dbraw/zinc/02/16/79/443021679.db2.gz WEGQKTXTSMUSSZ-BRWVUGGUSA-N 2 2 346.475 1.476 20 0 EDADLP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[N@@H+]1CC(C)(C)O ZINC000189936488 443032951 /nfs/dbraw/zinc/03/29/51/443032951.db2.gz YMRPDTRIGMCWAA-OAHLLOKOSA-N 2 2 329.448 1.544 20 0 EDADLP C[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)nc2)CC[N@H+]1CC(C)(C)O ZINC000189936488 443032960 /nfs/dbraw/zinc/03/29/60/443032960.db2.gz YMRPDTRIGMCWAA-OAHLLOKOSA-N 2 2 329.448 1.544 20 0 EDADLP CC[N@H+](CCO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000184544522 443037242 /nfs/dbraw/zinc/03/72/42/443037242.db2.gz FJINFCZKFLSWRF-MQVJKMGUSA-N 2 2 341.496 1.821 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000184544522 443037248 /nfs/dbraw/zinc/03/72/48/443037248.db2.gz FJINFCZKFLSWRF-MQVJKMGUSA-N 2 2 341.496 1.821 20 0 EDADLP CC(C)(O)C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000189995273 443044125 /nfs/dbraw/zinc/04/41/25/443044125.db2.gz JTEFEVIFLOWZGU-UHFFFAOYSA-N 2 2 346.475 1.356 20 0 EDADLP CC(C)(O)C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000189995273 443044128 /nfs/dbraw/zinc/04/41/28/443044128.db2.gz JTEFEVIFLOWZGU-UHFFFAOYSA-N 2 2 346.475 1.356 20 0 EDADLP C[NH+](C)CCn1nccc1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000296726557 318721057 /nfs/dbraw/zinc/72/10/57/318721057.db2.gz BMMKMAZCGDFGSL-UHFFFAOYSA-N 2 2 327.392 1.414 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268870888 443132812 /nfs/dbraw/zinc/13/28/12/443132812.db2.gz GBQKXNZVFNSCRE-TZMCWYRMSA-N 2 2 343.468 1.126 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268870888 443132818 /nfs/dbraw/zinc/13/28/18/443132818.db2.gz GBQKXNZVFNSCRE-TZMCWYRMSA-N 2 2 343.468 1.126 20 0 EDADLP CC[N@H+](CCCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000266547404 443164297 /nfs/dbraw/zinc/16/42/97/443164297.db2.gz KBBMRURQDSRYBR-UHFFFAOYSA-N 2 2 325.478 1.097 20 0 EDADLP CC[N@@H+](CCCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000266547404 443164302 /nfs/dbraw/zinc/16/43/02/443164302.db2.gz KBBMRURQDSRYBR-UHFFFAOYSA-N 2 2 325.478 1.097 20 0 EDADLP CC[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000269012410 443172554 /nfs/dbraw/zinc/17/25/54/443172554.db2.gz NDVJGOGMWVAEKT-QUCCMNQESA-N 2 2 331.504 1.943 20 0 EDADLP CC[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000269012410 443172558 /nfs/dbraw/zinc/17/25/58/443172558.db2.gz NDVJGOGMWVAEKT-QUCCMNQESA-N 2 2 331.504 1.943 20 0 EDADLP CC[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000269012410 443172563 /nfs/dbraw/zinc/17/25/63/443172563.db2.gz NDVJGOGMWVAEKT-QUCCMNQESA-N 2 2 331.504 1.943 20 0 EDADLP CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000262041154 443181529 /nfs/dbraw/zinc/18/15/29/443181529.db2.gz YNSKAVOBNMBXBM-VAMGGRTRSA-N 2 2 343.515 1.832 20 0 EDADLP O=C(C[NH2+]C1CC1)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000237863473 443184837 /nfs/dbraw/zinc/18/48/37/443184837.db2.gz XWUYKIJNXKZXJE-UHFFFAOYSA-N 2 2 336.867 1.330 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@H+]1C ZINC000269055319 443185189 /nfs/dbraw/zinc/18/51/89/443185189.db2.gz SAGYKBCQJZRQQK-VBSBHUPXSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1C ZINC000269055319 443185190 /nfs/dbraw/zinc/18/51/90/443185190.db2.gz SAGYKBCQJZRQQK-VBSBHUPXSA-N 3 2 331.504 1.942 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC[NH+]1C ZINC000269055319 443185194 /nfs/dbraw/zinc/18/51/94/443185194.db2.gz SAGYKBCQJZRQQK-VBSBHUPXSA-N 3 2 331.504 1.942 20 0 EDADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237896167 443186737 /nfs/dbraw/zinc/18/67/37/443186737.db2.gz ADTBIQMDYBZQRN-ROUUACIJSA-N 2 2 331.460 1.766 20 0 EDADLP CCOCCOCc1cccc(CNC(=O)C[NH+]2CCC([NH3+])CC2)c1 ZINC000236914410 443151746 /nfs/dbraw/zinc/15/17/46/443151746.db2.gz GBXCYXFYUJLPNU-UHFFFAOYSA-N 2 2 349.475 1.279 20 0 EDADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000269236053 443244171 /nfs/dbraw/zinc/24/41/71/443244171.db2.gz MTVGLCVCDRQLAN-MRXNPFEDSA-N 2 2 332.448 1.457 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000191013392 443225493 /nfs/dbraw/zinc/22/54/93/443225493.db2.gz BQDWWHKJSWQADU-NSHDSACASA-N 2 2 343.357 1.424 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000191013392 443225497 /nfs/dbraw/zinc/22/54/97/443225497.db2.gz BQDWWHKJSWQADU-NSHDSACASA-N 2 2 343.357 1.424 20 0 EDADLP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000185665221 443235786 /nfs/dbraw/zinc/23/57/86/443235786.db2.gz LDWZBSBQHIWQQX-HOTGVXAUSA-N 2 2 340.512 1.517 20 0 EDADLP C[C@H]([NH3+])C1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000269149641 443214195 /nfs/dbraw/zinc/21/41/95/443214195.db2.gz MJBFIEGSDMSQBR-HNNXBMFYSA-N 2 2 331.460 1.718 20 0 EDADLP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1C[NH+]1CCOCC1 ZINC000266711942 443216925 /nfs/dbraw/zinc/21/69/25/443216925.db2.gz JNLKWSBDMXDQTO-RBUKOAKNSA-N 2 2 343.471 1.875 20 0 EDADLP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1C[NH+]1CCOCC1 ZINC000266711942 443216926 /nfs/dbraw/zinc/21/69/26/443216926.db2.gz JNLKWSBDMXDQTO-RBUKOAKNSA-N 2 2 343.471 1.875 20 0 EDADLP C[N@H+](Cc1nc([C@@H]2C[NH+]3CCC[C@@]3(C)CO2)no1)[C@H]1CCSC1 ZINC000350350433 319047710 /nfs/dbraw/zinc/04/77/10/319047710.db2.gz IMYAXJWMRLFDSV-XEZPLFJOSA-N 2 2 338.477 1.933 20 0 EDADLP C[N@@H+](Cc1nc([C@@H]2C[NH+]3CCC[C@@]3(C)CO2)no1)[C@H]1CCSC1 ZINC000350350433 319047711 /nfs/dbraw/zinc/04/77/11/319047711.db2.gz IMYAXJWMRLFDSV-XEZPLFJOSA-N 2 2 338.477 1.933 20 0 EDADLP C[NH+](Cc1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)[C@H]1CCSC1 ZINC000350350433 319047714 /nfs/dbraw/zinc/04/77/14/319047714.db2.gz IMYAXJWMRLFDSV-XEZPLFJOSA-N 2 2 338.477 1.933 20 0 EDADLP C[NH+](Cc1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)[C@H]1CCSC1 ZINC000350350433 319047717 /nfs/dbraw/zinc/04/77/17/319047717.db2.gz IMYAXJWMRLFDSV-XEZPLFJOSA-N 2 2 338.477 1.933 20 0 EDADLP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@H]3CCc4[nH+]ccn4C3)n1)OC2 ZINC000350342971 319047751 /nfs/dbraw/zinc/04/77/51/319047751.db2.gz URNRLCPKRWSEOC-GDZNZVCISA-N 2 2 329.404 1.922 20 0 EDADLP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@H]3CCc4[nH+]ccn4C3)n1)OC2 ZINC000350342971 319047753 /nfs/dbraw/zinc/04/77/53/319047753.db2.gz URNRLCPKRWSEOC-GDZNZVCISA-N 2 2 329.404 1.922 20 0 EDADLP C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@@H]3CCc4[nH+]ccn4C3)n1)OC2 ZINC000350342972 319048022 /nfs/dbraw/zinc/04/80/22/319048022.db2.gz URNRLCPKRWSEOC-IIYDPXPESA-N 2 2 329.404 1.922 20 0 EDADLP C[C@]12CCC[N@H+]1C[C@@H](c1noc([C@@H]3CCc4[nH+]ccn4C3)n1)OC2 ZINC000350342972 319048024 /nfs/dbraw/zinc/04/80/24/319048024.db2.gz URNRLCPKRWSEOC-IIYDPXPESA-N 2 2 329.404 1.922 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1c1noc(-c2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000351089538 319091914 /nfs/dbraw/zinc/09/19/14/319091914.db2.gz XNMGZKLLCRGBIS-AWEZNQCLSA-N 2 2 325.376 1.236 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1c1noc(-c2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000351089538 319091916 /nfs/dbraw/zinc/09/19/16/319091916.db2.gz XNMGZKLLCRGBIS-AWEZNQCLSA-N 2 2 325.376 1.236 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000411245758 319173525 /nfs/dbraw/zinc/17/35/25/319173525.db2.gz LGGUFRFCZOUPDD-UHFFFAOYSA-N 2 2 332.448 1.793 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@H]([C@@H](C)O)C3)c2cc1C ZINC000412076245 319223672 /nfs/dbraw/zinc/22/36/72/319223672.db2.gz NQTLAUJPMZSIGO-RKVPGOIHSA-N 2 2 333.432 1.096 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@H]([C@@H](C)O)C3)c2cc1C ZINC000412076245 319223674 /nfs/dbraw/zinc/22/36/74/319223674.db2.gz NQTLAUJPMZSIGO-RKVPGOIHSA-N 2 2 333.432 1.096 20 0 EDADLP CC[C@H](C(=O)OC)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266931822 443294408 /nfs/dbraw/zinc/29/44/08/443294408.db2.gz OWBBCQBMFDEREV-MRXNPFEDSA-N 2 2 349.475 1.701 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000264463096 443300727 /nfs/dbraw/zinc/30/07/27/443300727.db2.gz QEGDMUBKXORRAR-ROUUACIJSA-N 2 2 333.476 1.595 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000264463096 443300731 /nfs/dbraw/zinc/30/07/31/443300731.db2.gz QEGDMUBKXORRAR-ROUUACIJSA-N 2 2 333.476 1.595 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000416886353 319468970 /nfs/dbraw/zinc/46/89/70/319468970.db2.gz NJSKHQBFPXTXLC-QZTJIDSGSA-N 2 2 348.491 1.651 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000416920855 319474913 /nfs/dbraw/zinc/47/49/13/319474913.db2.gz UAYZBIPKJRWONO-HUUCEWRRSA-N 2 2 331.395 1.781 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCNC(=O)[C@H]3C(C)C)c2cc1C ZINC000264549525 443322421 /nfs/dbraw/zinc/32/24/21/443322421.db2.gz KZGMRRKWACZYCH-MAUKXSAKSA-N 2 2 344.459 1.470 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCNC(=O)[C@H]3C(C)C)c2cc1C ZINC000264549525 443322425 /nfs/dbraw/zinc/32/24/25/443322425.db2.gz KZGMRRKWACZYCH-MAUKXSAKSA-N 2 2 344.459 1.470 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H]3CCOC3)CC2)cc1 ZINC000264446914 443295731 /nfs/dbraw/zinc/29/57/31/443295731.db2.gz RQAUYTQRAVSZCK-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H]3CCOC3)CC2)cc1 ZINC000264446914 443295734 /nfs/dbraw/zinc/29/57/34/443295734.db2.gz RQAUYTQRAVSZCK-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H]3CCOC3)CC2)cc1 ZINC000264446914 443295737 /nfs/dbraw/zinc/29/57/37/443295737.db2.gz RQAUYTQRAVSZCK-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H]3CCOC3)CC2)cc1 ZINC000264446914 443295738 /nfs/dbraw/zinc/29/57/38/443295738.db2.gz RQAUYTQRAVSZCK-IBGZPJMESA-N 2 2 345.487 1.750 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(-c3nc[nH]n3)cc2)CC1 ZINC000186028875 443300063 /nfs/dbraw/zinc/30/00/63/443300063.db2.gz UJUFEOFRAMFXOK-UHFFFAOYSA-N 2 2 342.447 1.228 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1C ZINC000264701007 443381261 /nfs/dbraw/zinc/38/12/61/443381261.db2.gz AODWICVHJKXIOW-OAHLLOKOSA-N 2 2 349.479 1.094 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1C ZINC000264701007 443381267 /nfs/dbraw/zinc/38/12/67/443381267.db2.gz AODWICVHJKXIOW-OAHLLOKOSA-N 2 2 349.479 1.094 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000269629384 443371387 /nfs/dbraw/zinc/37/13/87/443371387.db2.gz HISPCQNDUNEFOQ-LJQANCHMSA-N 2 2 344.503 1.703 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000267188227 443371628 /nfs/dbraw/zinc/37/16/28/443371628.db2.gz CWBVZIKSMBAIIL-YSIASYRMSA-N 2 2 346.519 1.284 20 0 EDADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000267188227 443371631 /nfs/dbraw/zinc/37/16/31/443371631.db2.gz CWBVZIKSMBAIIL-YSIASYRMSA-N 2 2 346.519 1.284 20 0 EDADLP COC(=O)COc1c(C)cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1C ZINC000264774411 443418676 /nfs/dbraw/zinc/41/86/76/443418676.db2.gz SDZKSFZZQALOML-QGZVFWFLSA-N 2 2 349.475 1.191 20 0 EDADLP COC(=O)COc1c(C)cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1C ZINC000264774411 443418679 /nfs/dbraw/zinc/41/86/79/443418679.db2.gz SDZKSFZZQALOML-QGZVFWFLSA-N 2 2 349.475 1.191 20 0 EDADLP C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000272720250 443421156 /nfs/dbraw/zinc/42/11/56/443421156.db2.gz ZFYWQIZWZKERNH-MJGOQNOKSA-N 2 2 345.487 1.566 20 0 EDADLP C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000272720250 443421160 /nfs/dbraw/zinc/42/11/60/443421160.db2.gz ZFYWQIZWZKERNH-MJGOQNOKSA-N 2 2 345.487 1.566 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000269682279 443393930 /nfs/dbraw/zinc/39/39/30/443393930.db2.gz FBKACBHRCUCHCL-UHFFFAOYSA-N 2 2 345.472 1.189 20 0 EDADLP [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000423319147 319763942 /nfs/dbraw/zinc/76/39/42/319763942.db2.gz CIRCJUJUCNQGFQ-KRWDZBQOSA-N 2 2 346.475 1.832 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1C ZINC000267636768 443522404 /nfs/dbraw/zinc/52/24/04/443522404.db2.gz RXXCTACLWYOWOK-INIZCTEOSA-N 2 2 344.463 1.588 20 0 EDADLP C[N@H+]1CC=C(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000272123005 443533501 /nfs/dbraw/zinc/53/35/01/443533501.db2.gz UFOTVNRMMHGJQR-UHFFFAOYSA-N 2 2 329.448 1.743 20 0 EDADLP C[N@@H+]1CC=C(CNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000272123005 443533503 /nfs/dbraw/zinc/53/35/03/443533503.db2.gz UFOTVNRMMHGJQR-UHFFFAOYSA-N 2 2 329.448 1.743 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)c1C ZINC000273090693 443535927 /nfs/dbraw/zinc/53/59/27/443535927.db2.gz NTJZZDKUPOMCFX-AWEZNQCLSA-N 2 2 335.448 1.634 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000279032504 443496272 /nfs/dbraw/zinc/49/62/72/443496272.db2.gz ARWVVXDYQPZVLV-IRXDYDNUSA-N 2 2 333.476 1.686 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000279032504 443496274 /nfs/dbraw/zinc/49/62/74/443496274.db2.gz ARWVVXDYQPZVLV-IRXDYDNUSA-N 2 2 333.476 1.686 20 0 EDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@]3(O)CCOC3)c[nH+]c12 ZINC000273123062 443542686 /nfs/dbraw/zinc/54/26/86/443542686.db2.gz ZZLBNQJFYMTUNV-CQSZACIVSA-N 2 2 340.221 1.646 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000273136402 443546625 /nfs/dbraw/zinc/54/66/25/443546625.db2.gz VWRAVHDJOJKBKX-OAHLLOKOSA-N 2 2 342.443 1.731 20 0 EDADLP CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000283445653 443635727 /nfs/dbraw/zinc/63/57/27/443635727.db2.gz MHJXPQXQGPRHGD-CQSZACIVSA-N 2 2 333.436 1.064 20 0 EDADLP c1cn(CCCNc2cncc(NCCCn3cc[nH+]c3)n2)c[nH+]1 ZINC000439129052 320040402 /nfs/dbraw/zinc/04/04/02/320040402.db2.gz GYJVZFPHAGNOLT-UHFFFAOYSA-N 2 2 326.408 1.874 20 0 EDADLP Cc1nn(C)c(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1Br ZINC000447939345 320148624 /nfs/dbraw/zinc/14/86/24/320148624.db2.gz JYGYTAIQPGGUAS-LLVKDONJSA-N 2 2 344.301 1.217 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3cnccc3c2)CC1 ZINC000450051124 320211019 /nfs/dbraw/zinc/21/10/19/320211019.db2.gz VOZQTPLOLZJHFY-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP O[C@@H]1CC[C@@H]2C[NH+](CC[N@@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700499 320238516 /nfs/dbraw/zinc/23/85/16/320238516.db2.gz XTUPVDRRMZJDGT-DNDRQTMDSA-N 2 2 336.520 1.952 20 0 EDADLP O[C@@H]1CC[C@@H]2C[NH+](CC[N@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700499 320238518 /nfs/dbraw/zinc/23/85/18/320238518.db2.gz XTUPVDRRMZJDGT-DNDRQTMDSA-N 2 2 336.520 1.952 20 0 EDADLP O[C@@H]1CC[C@@H]2C[N@H+](CC[NH+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700499 320238520 /nfs/dbraw/zinc/23/85/20/320238520.db2.gz XTUPVDRRMZJDGT-DNDRQTMDSA-N 2 2 336.520 1.952 20 0 EDADLP O[C@@H]1CC[C@@H]2C[N@@H+](CC[NH+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700499 320238521 /nfs/dbraw/zinc/23/85/21/320238521.db2.gz XTUPVDRRMZJDGT-DNDRQTMDSA-N 2 2 336.520 1.952 20 0 EDADLP CCC(C)(C)OCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000453407629 320263365 /nfs/dbraw/zinc/26/33/65/320263365.db2.gz MHFJFGSPIJJSSO-UHFFFAOYSA-N 2 2 327.513 1.578 20 0 EDADLP CCC(C)(C)OCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000453407629 320263367 /nfs/dbraw/zinc/26/33/67/320263367.db2.gz MHFJFGSPIJJSSO-UHFFFAOYSA-N 2 2 327.513 1.578 20 0 EDADLP C[N@H+](CCCCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C1CC1 ZINC000457168893 320321610 /nfs/dbraw/zinc/32/16/10/320321610.db2.gz OOUNQHXESNZWBU-UHFFFAOYSA-N 2 2 346.475 1.518 20 0 EDADLP C[N@@H+](CCCCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1)C1CC1 ZINC000457168893 320321611 /nfs/dbraw/zinc/32/16/11/320321611.db2.gz OOUNQHXESNZWBU-UHFFFAOYSA-N 2 2 346.475 1.518 20 0 EDADLP CCO[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000458597642 320337752 /nfs/dbraw/zinc/33/77/52/320337752.db2.gz PIDYXVPXZZTCMF-WBVHZDCISA-N 2 2 340.512 1.469 20 0 EDADLP C[NH+](C)C/C=C\C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000492665256 320382195 /nfs/dbraw/zinc/38/21/95/320382195.db2.gz AJHOVWDTJYNCDB-IOBAAEILSA-N 2 2 344.459 1.779 20 0 EDADLP C[C@@H](C[NH+](C)C)Nc1nc(N[C@@H](C)C[NH+](C)C)c2c([nH+]1)CCS2 ZINC000286379084 443701998 /nfs/dbraw/zinc/70/19/98/443701998.db2.gz KISHTFDZJFWTES-RYUDHWBXSA-N 3 2 338.525 1.849 20 0 EDADLP CC(C)(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[NH2+]CC1 ZINC000518368942 320456211 /nfs/dbraw/zinc/45/62/11/320456211.db2.gz PURJKKQSTKIKFO-UHFFFAOYSA-N 2 2 345.422 1.311 20 0 EDADLP C[NH+]1CCN(Cc2cccc(NC(=O)C=Cc3c[nH]c[nH+]3)c2)CC1 ZINC000276513118 443730190 /nfs/dbraw/zinc/73/01/90/443730190.db2.gz BKTVYMBPDBIWOK-AATRIKPKSA-N 2 2 325.416 1.809 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3CC[C@@H](OC)C3)CC2)CC1 ZINC000616381242 450406923 /nfs/dbraw/zinc/40/69/23/450406923.db2.gz MAJKWPXUWKJYAL-FUHWJXTLSA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3CC[C@@H](OC)C3)CC2)CC1 ZINC000616381242 450406925 /nfs/dbraw/zinc/40/69/25/450406925.db2.gz MAJKWPXUWKJYAL-FUHWJXTLSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C=Cc3c[nH]c[nH+]3)c2)CCO1 ZINC000276596845 443760038 /nfs/dbraw/zinc/76/00/38/443760038.db2.gz NWTMTVCNTXDOAL-NFAHFFEMSA-N 2 2 340.427 1.960 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C=Cc3c[nH]c[nH+]3)c2)CCO1 ZINC000276596845 443760039 /nfs/dbraw/zinc/76/00/39/443760039.db2.gz NWTMTVCNTXDOAL-NFAHFFEMSA-N 2 2 340.427 1.960 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(F)c1F ZINC000280884548 443767012 /nfs/dbraw/zinc/76/70/12/443767012.db2.gz LZUQGFSXDQWVRY-UHFFFAOYSA-N 2 2 326.391 1.458 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(F)c1F ZINC000280884548 443767018 /nfs/dbraw/zinc/76/70/18/443767018.db2.gz LZUQGFSXDQWVRY-UHFFFAOYSA-N 2 2 326.391 1.458 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC000288300483 443836851 /nfs/dbraw/zinc/83/68/51/443836851.db2.gz HCLOLRBBKDNQJQ-LPHOPBHVSA-N 2 2 345.487 1.737 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC000288300483 443836855 /nfs/dbraw/zinc/83/68/55/443836855.db2.gz HCLOLRBBKDNQJQ-LPHOPBHVSA-N 2 2 345.487 1.737 20 0 EDADLP COCCC[NH+]1CCC(NC(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000292779820 443841847 /nfs/dbraw/zinc/84/18/47/443841847.db2.gz UAJRHZNXZYHCQW-UHFFFAOYSA-N 2 2 336.436 1.390 20 0 EDADLP C[C@@H](CNC(=O)Nc1ccn2cc[nH+]c2c1)C[NH+]1CCN(C)CC1 ZINC000281056009 443806205 /nfs/dbraw/zinc/80/62/05/443806205.db2.gz RJHSONZHFSKYAU-AWEZNQCLSA-N 2 2 330.436 1.339 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000281399000 443900512 /nfs/dbraw/zinc/90/05/12/443900512.db2.gz NTMCYESQUFBDSM-UHFFFAOYSA-N 2 2 345.447 1.610 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000281399000 443900517 /nfs/dbraw/zinc/90/05/17/443900517.db2.gz NTMCYESQUFBDSM-UHFFFAOYSA-N 2 2 345.447 1.610 20 0 EDADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000285110139 443859291 /nfs/dbraw/zinc/85/92/91/443859291.db2.gz REPXIESZTFLKGB-RBUKOAKNSA-N 2 2 330.476 1.990 20 0 EDADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000285110139 443859294 /nfs/dbraw/zinc/85/92/94/443859294.db2.gz REPXIESZTFLKGB-RBUKOAKNSA-N 2 2 330.476 1.990 20 0 EDADLP CC1(C)NC(=O)N(CCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)C1=O ZINC000534863617 320708303 /nfs/dbraw/zinc/70/83/03/320708303.db2.gz LTSJRQAXKIGQEY-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP C[C@@H](O)CNc1cc(NCc2ccc(CC[NH+](C)C)cc2)nc[nH+]1 ZINC000298819198 443877234 /nfs/dbraw/zinc/87/72/34/443877234.db2.gz GLIZIJMLYGIEAF-CQSZACIVSA-N 2 2 329.448 1.986 20 0 EDADLP C[C@@H](O)CNc1cc(NCc2ccc(CC[NH+](C)C)cc2)[nH+]cn1 ZINC000298819198 443877238 /nfs/dbraw/zinc/87/72/38/443877238.db2.gz GLIZIJMLYGIEAF-CQSZACIVSA-N 2 2 329.448 1.986 20 0 EDADLP CS[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1[NH+](C)C ZINC000537924822 320739804 /nfs/dbraw/zinc/73/98/04/320739804.db2.gz RDVDNLPPZYXOFF-LSDHHAIUSA-N 2 2 332.473 1.689 20 0 EDADLP Cc1cc(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000540678473 320761795 /nfs/dbraw/zinc/76/17/95/320761795.db2.gz IWHYFTQYVMAIAZ-UHFFFAOYSA-N 2 2 334.464 1.942 20 0 EDADLP OCc1cn([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nn1 ZINC000293038521 443909668 /nfs/dbraw/zinc/90/96/68/443909668.db2.gz SCFWXQYLDPTZTB-GOSISDBHSA-N 2 2 338.415 1.793 20 0 EDADLP OCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)nn1 ZINC000293038521 443909674 /nfs/dbraw/zinc/90/96/74/443909674.db2.gz SCFWXQYLDPTZTB-GOSISDBHSA-N 2 2 338.415 1.793 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281437210 443911621 /nfs/dbraw/zinc/91/16/21/443911621.db2.gz SXGWVEHFWWVQME-HNNXBMFYSA-N 2 2 346.475 1.791 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000281437210 443911626 /nfs/dbraw/zinc/91/16/26/443911626.db2.gz SXGWVEHFWWVQME-HNNXBMFYSA-N 2 2 346.475 1.791 20 0 EDADLP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000543096012 320788173 /nfs/dbraw/zinc/78/81/73/320788173.db2.gz VALBDHYAAYSQEY-CVEARBPZSA-N 2 2 334.464 1.405 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000277543040 444004340 /nfs/dbraw/zinc/00/43/40/444004340.db2.gz XEGHWGIMEQLCAY-PKOBYXMFSA-N 2 2 329.488 1.961 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000277543040 444004346 /nfs/dbraw/zinc/00/43/46/444004346.db2.gz XEGHWGIMEQLCAY-PKOBYXMFSA-N 2 2 329.488 1.961 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000547674112 320837867 /nfs/dbraw/zinc/83/78/67/320837867.db2.gz ZHAYFXRECJLLQB-STQMWFEESA-N 2 2 333.461 1.862 20 0 EDADLP O=C(CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000299400133 444037687 /nfs/dbraw/zinc/03/76/87/444037687.db2.gz YATBKGNHWWOOEQ-DLBZAZTESA-N 2 2 344.459 1.374 20 0 EDADLP O=C(CC[N@H+]1CCO[C@@H]2CCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000299400133 444037691 /nfs/dbraw/zinc/03/76/91/444037691.db2.gz YATBKGNHWWOOEQ-DLBZAZTESA-N 2 2 344.459 1.374 20 0 EDADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000285674488 444068228 /nfs/dbraw/zinc/06/82/28/444068228.db2.gz HIJLZJAIBLNPJC-MSOLQXFVSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000285674488 444068232 /nfs/dbraw/zinc/06/82/32/444068232.db2.gz HIJLZJAIBLNPJC-MSOLQXFVSA-N 2 2 340.427 1.477 20 0 EDADLP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCCC1 ZINC000557368996 321003336 /nfs/dbraw/zinc/00/33/36/321003336.db2.gz RZQVRZYIYHTQPF-HNNXBMFYSA-N 2 2 343.431 1.509 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)[nH+]c12 ZINC000559836841 321016468 /nfs/dbraw/zinc/01/64/68/321016468.db2.gz HTMKVIOZXAZTJA-OAHLLOKOSA-N 2 2 344.459 1.489 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)[nH+]c12 ZINC000559836841 321016470 /nfs/dbraw/zinc/01/64/70/321016470.db2.gz HTMKVIOZXAZTJA-OAHLLOKOSA-N 2 2 344.459 1.489 20 0 EDADLP CCC(CC)[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)[NH+]1CCOCC1 ZINC000561108596 321032925 /nfs/dbraw/zinc/03/29/25/321032925.db2.gz CJFCIKAJBLIXCT-DOTOQJQBSA-N 2 2 325.497 1.580 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N[C@H]1CCOc2ccccc21 ZINC000561284592 321038866 /nfs/dbraw/zinc/03/88/66/321038866.db2.gz LHANCAMXOMWGEH-LPHOPBHVSA-N 2 2 329.444 1.702 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N[C@H]1CCOc2ccccc21 ZINC000561284592 321038868 /nfs/dbraw/zinc/03/88/68/321038868.db2.gz LHANCAMXOMWGEH-LPHOPBHVSA-N 2 2 329.444 1.702 20 0 EDADLP CC(C)[NH2+]CCC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000561945262 321045265 /nfs/dbraw/zinc/04/52/65/321045265.db2.gz FVXYWFLGTDEQGN-UHFFFAOYSA-N 2 2 346.475 1.594 20 0 EDADLP C[C@@H]1C[NH+](CCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C[C@@H](C)O1 ZINC000562579469 321064625 /nfs/dbraw/zinc/06/46/25/321064625.db2.gz BRWXMAREKFKFMC-HZPDHXFCSA-N 2 2 334.464 1.621 20 0 EDADLP Cc1oc(-c2ccccc2)nc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563102107 321095928 /nfs/dbraw/zinc/09/59/28/321095928.db2.gz WQQITVOXCYXSPL-OAHLLOKOSA-N 2 2 328.416 1.294 20 0 EDADLP Cc1oc(-c2ccccc2)nc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563102107 321095930 /nfs/dbraw/zinc/09/59/30/321095930.db2.gz WQQITVOXCYXSPL-OAHLLOKOSA-N 2 2 328.416 1.294 20 0 EDADLP O=C(c1ccco1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000564733352 321144155 /nfs/dbraw/zinc/14/41/55/321144155.db2.gz PUISPWVWSILAMS-UHFFFAOYSA-N 2 2 325.412 1.883 20 0 EDADLP CCC[C@H](O)[C@H](CO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000564973945 321162028 /nfs/dbraw/zinc/16/20/28/321162028.db2.gz BMAZXAPINBTDTN-ZVZYQTTQSA-N 2 2 335.448 1.126 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3c(Cl)cccc3Cl)CCN2C1=O ZINC000565239654 321178270 /nfs/dbraw/zinc/17/82/70/321178270.db2.gz MGJLMGVWUBLYOF-ZWNOBZJWSA-N 2 2 344.242 1.616 20 0 EDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3c(Cl)cccc3Cl)CCN2C1=O ZINC000565239654 321178271 /nfs/dbraw/zinc/17/82/71/321178271.db2.gz MGJLMGVWUBLYOF-ZWNOBZJWSA-N 2 2 344.242 1.616 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCCN(C)C3=O)c2cc1C ZINC000565358411 321182902 /nfs/dbraw/zinc/18/29/02/321182902.db2.gz YWLUGPUCLWJIKQ-CABCVRRESA-N 2 2 330.432 1.224 20 0 EDADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)C1 ZINC000289287428 444097999 /nfs/dbraw/zinc/09/79/99/444097999.db2.gz GSRDBJVXBADVDS-JKSUJKDBSA-N 2 2 346.475 1.859 20 0 EDADLP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)C1 ZINC000289287428 444098002 /nfs/dbraw/zinc/09/80/02/444098002.db2.gz GSRDBJVXBADVDS-JKSUJKDBSA-N 2 2 346.475 1.859 20 0 EDADLP C[C@H](O)c1ncc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000289277607 444094522 /nfs/dbraw/zinc/09/45/22/444094522.db2.gz FSRNOMXJGVHHSD-AWEZNQCLSA-N 2 2 349.504 1.989 20 0 EDADLP C[C@H](O)c1ncc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000289277607 444094527 /nfs/dbraw/zinc/09/45/27/444094527.db2.gz FSRNOMXJGVHHSD-AWEZNQCLSA-N 2 2 349.504 1.989 20 0 EDADLP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000567642332 321250150 /nfs/dbraw/zinc/25/01/50/321250150.db2.gz JGNHPESLHRYSSR-DOMZBBRYSA-N 2 2 345.896 1.739 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000289293802 444098926 /nfs/dbraw/zinc/09/89/26/444098926.db2.gz AHSIEDQOBAXTTI-GJZGRUSLSA-N 2 2 343.265 1.527 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1)C1CC1 ZINC000289293802 444098939 /nfs/dbraw/zinc/09/89/39/444098939.db2.gz AHSIEDQOBAXTTI-GJZGRUSLSA-N 2 2 343.265 1.527 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000570083690 321336799 /nfs/dbraw/zinc/33/67/99/321336799.db2.gz NBIBRGOVAWWRKY-HUUCEWRRSA-N 2 2 331.416 1.443 20 0 EDADLP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000570083690 321336801 /nfs/dbraw/zinc/33/68/01/321336801.db2.gz NBIBRGOVAWWRKY-HUUCEWRRSA-N 2 2 331.416 1.443 20 0 EDADLP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000570840269 321360513 /nfs/dbraw/zinc/36/05/13/321360513.db2.gz VVTVFMQQOPZUOV-HNNXBMFYSA-N 2 2 334.489 1.567 20 0 EDADLP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000570840269 321360515 /nfs/dbraw/zinc/36/05/15/321360515.db2.gz VVTVFMQQOPZUOV-HNNXBMFYSA-N 2 2 334.489 1.567 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(OC(F)F)cc1 ZINC000571148200 321375104 /nfs/dbraw/zinc/37/51/04/321375104.db2.gz BNMSWZZLGPXHHW-WCQYABFASA-N 2 2 342.390 1.633 20 0 EDADLP CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000571472175 321387823 /nfs/dbraw/zinc/38/78/23/321387823.db2.gz XXIPJPVDWXQISH-IRXDYDNUSA-N 2 2 331.460 1.080 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000571653686 321395337 /nfs/dbraw/zinc/39/53/37/321395337.db2.gz XBPVLAPECWNKSK-QGZVFWFLSA-N 2 2 337.439 1.789 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000571653686 321395339 /nfs/dbraw/zinc/39/53/39/321395339.db2.gz XBPVLAPECWNKSK-QGZVFWFLSA-N 2 2 337.439 1.789 20 0 EDADLP Cc1cc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nc(C)[nH+]1 ZINC000301411505 444170588 /nfs/dbraw/zinc/17/05/88/444170588.db2.gz PKJFYNGERCYRTL-KRWDZBQOSA-N 2 2 333.480 1.325 20 0 EDADLP Cc1cc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)nc(C)[nH+]1 ZINC000301411505 444170590 /nfs/dbraw/zinc/17/05/90/444170590.db2.gz PKJFYNGERCYRTL-KRWDZBQOSA-N 2 2 333.480 1.325 20 0 EDADLP C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289398734 444130333 /nfs/dbraw/zinc/13/03/33/444130333.db2.gz KVGAPVUEEZTPEF-MRXNPFEDSA-N 2 2 345.495 1.539 20 0 EDADLP C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289398734 444130335 /nfs/dbraw/zinc/13/03/35/444130335.db2.gz KVGAPVUEEZTPEF-MRXNPFEDSA-N 2 2 345.495 1.539 20 0 EDADLP CN1CC[C@H]([N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1=O ZINC000289394230 444127957 /nfs/dbraw/zinc/12/79/57/444127957.db2.gz RIQZGUMACHLMIV-CABCVRRESA-N 2 2 330.432 1.366 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H](C)[N@H+]1C ZINC000296121850 444206132 /nfs/dbraw/zinc/20/61/32/444206132.db2.gz BYIOCHRREQHGPL-OKILXGFUSA-N 2 2 328.420 1.501 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H](C)[N@@H+]1C ZINC000296121850 444206135 /nfs/dbraw/zinc/20/61/35/444206135.db2.gz BYIOCHRREQHGPL-OKILXGFUSA-N 2 2 328.420 1.501 20 0 EDADLP C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000296190420 444210963 /nfs/dbraw/zinc/21/09/63/444210963.db2.gz LQSOMMQYQXKULZ-ZBFHGGJFSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@@H]1[C@@H](O)CCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000296190420 444210966 /nfs/dbraw/zinc/21/09/66/444210966.db2.gz LQSOMMQYQXKULZ-ZBFHGGJFSA-N 2 2 337.489 1.238 20 0 EDADLP C[C@H](C[NH+]1CCCCCC1)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000302449312 444213462 /nfs/dbraw/zinc/21/34/62/444213462.db2.gz NIRHPFOPQGTKPG-OAHLLOKOSA-N 2 2 346.479 1.431 20 0 EDADLP c1nc(N2CC[NH+](C3CCOCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000301470988 444174010 /nfs/dbraw/zinc/17/40/10/444174010.db2.gz JLOUHSVBDQKWLW-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP Cc1cc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)nc(C)[nH+]1 ZINC000575795059 321527793 /nfs/dbraw/zinc/52/77/93/321527793.db2.gz HGNNOWAMWTVZKK-HKUYNNGSSA-N 3 2 345.491 1.419 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)nn1 ZINC000289731764 444196493 /nfs/dbraw/zinc/19/64/93/444196493.db2.gz MQTNRJDIWZIWJA-UHFFFAOYSA-N 2 2 344.463 1.440 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302099678 444203968 /nfs/dbraw/zinc/20/39/68/444203968.db2.gz KXPHFXYHTHLGHF-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000302099678 444203970 /nfs/dbraw/zinc/20/39/70/444203970.db2.gz KXPHFXYHTHLGHF-HZPDHXFCSA-N 2 2 333.480 1.972 20 0 EDADLP COC(=O)CC[N@@H+]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000302095943 444204136 /nfs/dbraw/zinc/20/41/36/444204136.db2.gz OAKUWMTZRHFBGC-CYBMUJFWSA-N 2 2 332.448 1.737 20 0 EDADLP COC(=O)CC[N@H+]1CCN(c2nc(C)[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000302095943 444204137 /nfs/dbraw/zinc/20/41/37/444204137.db2.gz OAKUWMTZRHFBGC-CYBMUJFWSA-N 2 2 332.448 1.737 20 0 EDADLP CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000304474512 444249903 /nfs/dbraw/zinc/24/99/03/444249903.db2.gz GDOYKPTXYAFLAN-UXHICEINSA-N 2 2 347.503 1.276 20 0 EDADLP CN(C[C@H](O)C[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000304474512 444249904 /nfs/dbraw/zinc/24/99/04/444249904.db2.gz GDOYKPTXYAFLAN-UXHICEINSA-N 2 2 347.503 1.276 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000576829452 321600232 /nfs/dbraw/zinc/60/02/32/321600232.db2.gz AMTLVODCLOCEIB-OCCSQVGLSA-N 2 2 329.238 1.833 20 0 EDADLP CN(c1ccccc1C[NH2+]C[C@](C)(O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000305219199 444266040 /nfs/dbraw/zinc/26/60/40/444266040.db2.gz KLPZUBQBVZJKOW-FQEVSTJZSA-N 3 2 348.535 1.619 20 0 EDADLP C[C@@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000305219203 444266122 /nfs/dbraw/zinc/26/61/22/444266122.db2.gz KLUYWTRERCWALK-IAGOWNOFSA-N 2 2 346.475 1.356 20 0 EDADLP C[C@@H](O)C[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000305219203 444266125 /nfs/dbraw/zinc/26/61/25/444266125.db2.gz KLUYWTRERCWALK-IAGOWNOFSA-N 2 2 346.475 1.356 20 0 EDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000305234058 444266789 /nfs/dbraw/zinc/26/67/89/444266789.db2.gz ZWGLPCXQKCGXNA-INIZCTEOSA-N 2 2 328.416 1.401 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000303115391 444234365 /nfs/dbraw/zinc/23/43/65/444234365.db2.gz SAWNMWINNREHMS-IEBWSBKVSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000303115391 444234367 /nfs/dbraw/zinc/23/43/67/444234367.db2.gz SAWNMWINNREHMS-IEBWSBKVSA-N 2 2 348.487 1.920 20 0 EDADLP CC(C)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H](C)O ZINC000303985035 444238987 /nfs/dbraw/zinc/23/89/87/444238987.db2.gz HYMVISJCYIZBKQ-INIZCTEOSA-N 2 2 334.464 1.212 20 0 EDADLP CC(C)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H](C)O ZINC000303985035 444238988 /nfs/dbraw/zinc/23/89/88/444238988.db2.gz HYMVISJCYIZBKQ-INIZCTEOSA-N 2 2 334.464 1.212 20 0 EDADLP CNC(=O)c1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000577377917 321647098 /nfs/dbraw/zinc/64/70/98/321647098.db2.gz FMSQBSOUWUAKRF-UHFFFAOYSA-N 2 2 331.460 1.373 20 0 EDADLP CC[C@H](C)[NH+]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000297643577 444312593 /nfs/dbraw/zinc/31/25/93/444312593.db2.gz TXYVGEULIDVDCK-HNNXBMFYSA-N 2 2 342.447 1.893 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000310071953 444290743 /nfs/dbraw/zinc/29/07/43/444290743.db2.gz DNUILOFVFKZKHD-OAHLLOKOSA-N 2 2 349.456 1.539 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000310071953 444290746 /nfs/dbraw/zinc/29/07/46/444290746.db2.gz DNUILOFVFKZKHD-OAHLLOKOSA-N 2 2 349.456 1.539 20 0 EDADLP CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000297813829 444337676 /nfs/dbraw/zinc/33/76/76/444337676.db2.gz ISISJQXBUPCATJ-UHFFFAOYSA-N 2 2 343.431 1.509 20 0 EDADLP CC(=O)c1cccc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000325245995 444363231 /nfs/dbraw/zinc/36/32/31/444363231.db2.gz SYFNNQQVGHPDIY-UHFFFAOYSA-N 2 2 333.432 1.658 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000290822638 444326904 /nfs/dbraw/zinc/32/69/04/444326904.db2.gz GARVXWWTEXVDPR-KBAYOESNSA-N 2 2 331.460 1.611 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000340506844 444416038 /nfs/dbraw/zinc/41/60/38/444416038.db2.gz UKXPPFLCPCOZOM-ZWKOTPCHSA-N 2 2 329.448 1.066 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000340506844 444416044 /nfs/dbraw/zinc/41/60/44/444416044.db2.gz UKXPPFLCPCOZOM-ZWKOTPCHSA-N 2 2 329.448 1.066 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)no1 ZINC000340515308 444421642 /nfs/dbraw/zinc/42/16/42/444421642.db2.gz UDKCTBPXPAAHHA-YJBOKZPZSA-N 2 2 344.459 1.923 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000340482163 444399603 /nfs/dbraw/zinc/39/96/03/444399603.db2.gz WOMGWNKQSVMBPK-ILXRZTDVSA-N 2 2 345.447 1.206 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000340482163 444399608 /nfs/dbraw/zinc/39/96/08/444399608.db2.gz WOMGWNKQSVMBPK-ILXRZTDVSA-N 2 2 345.447 1.206 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000329045675 444456936 /nfs/dbraw/zinc/45/69/36/444456936.db2.gz PSEMQBIUWUZZPS-DZGCQCFKSA-N 2 2 347.463 1.289 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000329045675 444456938 /nfs/dbraw/zinc/45/69/38/444456938.db2.gz PSEMQBIUWUZZPS-DZGCQCFKSA-N 2 2 347.463 1.289 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000329080061 444466548 /nfs/dbraw/zinc/46/65/48/444466548.db2.gz CJCSSZUNUAXQIT-INIZCTEOSA-N 2 2 346.475 1.864 20 0 EDADLP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)[C@@H]2CCCCN12 ZINC000338006353 444484631 /nfs/dbraw/zinc/48/46/31/444484631.db2.gz AOTSMJDBFUZLHU-ROUUACIJSA-N 2 2 328.460 1.789 20 0 EDADLP O=C(CCn1cc[nH+]c1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000338022473 444488964 /nfs/dbraw/zinc/48/89/64/444488964.db2.gz CQECIAQCABOFMT-UHFFFAOYSA-N 2 2 345.422 1.351 20 0 EDADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCOc2ccccc21 ZINC000580091115 322009077 /nfs/dbraw/zinc/00/90/77/322009077.db2.gz QIFDFJDUOOUJCE-UHFFFAOYSA-N 2 2 341.415 1.347 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)s1 ZINC000580172927 322018012 /nfs/dbraw/zinc/01/80/12/322018012.db2.gz MKDUCBGIQWMUOF-CQSZACIVSA-N 2 2 337.493 1.421 20 0 EDADLP COC(=O)c1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n1 ZINC000580813461 322097722 /nfs/dbraw/zinc/09/77/22/322097722.db2.gz ZECDALTXYBWOND-USXIJHARSA-N 2 2 333.432 1.552 20 0 EDADLP COC(=O)c1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)n1 ZINC000580813461 322097724 /nfs/dbraw/zinc/09/77/24/322097724.db2.gz ZECDALTXYBWOND-USXIJHARSA-N 2 2 333.432 1.552 20 0 EDADLP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581108502 322135785 /nfs/dbraw/zinc/13/57/85/322135785.db2.gz NSQADVLTXHQMLP-HNNXBMFYSA-N 2 2 331.464 1.927 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)C[C@H](C)O1 ZINC000581127098 322138848 /nfs/dbraw/zinc/13/88/48/322138848.db2.gz JYIKBGZEPAWZTL-CSFFLVESSA-N 2 2 349.475 1.361 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)C[C@H](C)O1 ZINC000581127098 322138851 /nfs/dbraw/zinc/13/88/51/322138851.db2.gz JYIKBGZEPAWZTL-CSFFLVESSA-N 2 2 349.475 1.361 20 0 EDADLP Cc1cnc(CC[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc1 ZINC000581186266 322146224 /nfs/dbraw/zinc/14/62/24/322146224.db2.gz OQSFZDLUXPANIS-GOSISDBHSA-N 2 2 326.444 1.336 20 0 EDADLP Cc1cnc(CC[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)nc1 ZINC000581186266 322146225 /nfs/dbraw/zinc/14/62/25/322146225.db2.gz OQSFZDLUXPANIS-GOSISDBHSA-N 2 2 326.444 1.336 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581240847 322153014 /nfs/dbraw/zinc/15/30/14/322153014.db2.gz LXFXYXJMIBINEO-GOSISDBHSA-N 2 2 348.491 1.575 20 0 EDADLP CC(C)[NH2+]CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581240847 322153016 /nfs/dbraw/zinc/15/30/16/322153016.db2.gz LXFXYXJMIBINEO-GOSISDBHSA-N 2 2 348.491 1.575 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000581251589 322155464 /nfs/dbraw/zinc/15/54/64/322155464.db2.gz XHBPVOQGKQHDJS-BEFAXECRSA-N 2 2 331.460 1.775 20 0 EDADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000581251589 322155466 /nfs/dbraw/zinc/15/54/66/322155466.db2.gz XHBPVOQGKQHDJS-BEFAXECRSA-N 2 2 331.460 1.775 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccccn2)[C@H](C[NH3+])C1 ZINC000581359319 322168137 /nfs/dbraw/zinc/16/81/37/322168137.db2.gz LYQGCSKXQQUTBP-AEFFLSMTSA-N 2 2 339.443 1.455 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2ccccc2)c2ccccn2)[C@H](C[NH3+])C1 ZINC000581359319 322168139 /nfs/dbraw/zinc/16/81/39/322168139.db2.gz LYQGCSKXQQUTBP-AEFFLSMTSA-N 2 2 339.443 1.455 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)Nc1c[nH+]c3n1CCCC3)n2C ZINC000581411308 322173728 /nfs/dbraw/zinc/17/37/28/322173728.db2.gz MIXCNDBTHJUWAI-UHFFFAOYSA-N 2 2 339.403 1.819 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000581777148 322219139 /nfs/dbraw/zinc/21/91/39/322219139.db2.gz GIYUGMSFIOVSNK-JKSUJKDBSA-N 2 2 338.496 1.543 20 0 EDADLP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581832383 322222284 /nfs/dbraw/zinc/22/22/84/322222284.db2.gz HEDGKULKKCGOBO-HNNXBMFYSA-N 2 2 327.432 1.279 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338149104 444536836 /nfs/dbraw/zinc/53/68/36/444536836.db2.gz IPCUUBORUDOJQE-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338149104 444536839 /nfs/dbraw/zinc/53/68/39/444536839.db2.gz IPCUUBORUDOJQE-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000340865195 444549919 /nfs/dbraw/zinc/54/99/19/444549919.db2.gz JFANYHLIORYZOT-MRXNPFEDSA-N 2 2 329.448 2.352 20 0 EDADLP C[C@@H]1COCC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000338251654 444588824 /nfs/dbraw/zinc/58/88/24/444588824.db2.gz KXDYTPSVZLLQLT-HNNXBMFYSA-N 2 2 337.489 1.361 20 0 EDADLP C[C@@H]1COCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000338251654 444588830 /nfs/dbraw/zinc/58/88/30/444588830.db2.gz KXDYTPSVZLLQLT-HNNXBMFYSA-N 2 2 337.489 1.361 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1)C(=O)OC ZINC000338256651 444592165 /nfs/dbraw/zinc/59/21/65/444592165.db2.gz YGGLHUNWIGVFKQ-YOEHRIQHSA-N 2 2 341.496 1.495 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1)C(=O)OC ZINC000338256651 444592170 /nfs/dbraw/zinc/59/21/70/444592170.db2.gz YGGLHUNWIGVFKQ-YOEHRIQHSA-N 2 2 341.496 1.495 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329471316 444594828 /nfs/dbraw/zinc/59/48/28/444594828.db2.gz ZLJXWOJOWSSWRH-HOCLYGCPSA-N 2 2 332.448 1.759 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329471316 444594832 /nfs/dbraw/zinc/59/48/32/444594832.db2.gz ZLJXWOJOWSSWRH-HOCLYGCPSA-N 2 2 332.448 1.759 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000340959734 444599317 /nfs/dbraw/zinc/59/93/17/444599317.db2.gz FBDQGMSXWRWTFZ-UHFFFAOYSA-N 2 2 337.468 1.383 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000342275352 444607362 /nfs/dbraw/zinc/60/73/62/444607362.db2.gz XGOJLXSZAVNFAX-HNNXBMFYSA-N 2 2 349.479 1.033 20 0 EDADLP Cc1nnc([C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)s1 ZINC000338283732 444610611 /nfs/dbraw/zinc/61/06/11/444610611.db2.gz HYYUGSMUEMLHME-NSHDSACASA-N 2 2 325.482 1.297 20 0 EDADLP C[C@@H]1C[N@H+](CCCO[C@H]2CCCCO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000338283712 444610846 /nfs/dbraw/zinc/61/08/46/444610846.db2.gz SVWNEBITDHQSEM-QRVBRYPASA-N 2 2 339.524 1.878 20 0 EDADLP C[C@@H]1C[N@@H+](CCCO[C@H]2CCCCO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000338283712 444610848 /nfs/dbraw/zinc/61/08/48/444610848.db2.gz SVWNEBITDHQSEM-QRVBRYPASA-N 2 2 339.524 1.878 20 0 EDADLP COc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000338306054 444622320 /nfs/dbraw/zinc/62/23/20/444622320.db2.gz FNZXHCROYYKKNM-LJQANCHMSA-N 2 2 342.443 1.554 20 0 EDADLP COc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)nn1 ZINC000338306054 444622321 /nfs/dbraw/zinc/62/23/21/444622321.db2.gz FNZXHCROYYKKNM-LJQANCHMSA-N 2 2 342.443 1.554 20 0 EDADLP COc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000338306054 444622325 /nfs/dbraw/zinc/62/23/25/444622325.db2.gz FNZXHCROYYKKNM-LJQANCHMSA-N 2 2 342.443 1.554 20 0 EDADLP COc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000338306054 444622326 /nfs/dbraw/zinc/62/23/26/444622326.db2.gz FNZXHCROYYKKNM-LJQANCHMSA-N 2 2 342.443 1.554 20 0 EDADLP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000338382040 444664478 /nfs/dbraw/zinc/66/44/78/444664478.db2.gz GGARKGDPRZLMJU-KRWDZBQOSA-N 2 2 346.519 1.894 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916143 444666801 /nfs/dbraw/zinc/66/68/01/444666801.db2.gz AZVNWUTYRYFMJH-ZIFCJYIRSA-N 2 2 344.503 1.971 20 0 EDADLP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916143 444666806 /nfs/dbraw/zinc/66/68/06/444666806.db2.gz AZVNWUTYRYFMJH-ZIFCJYIRSA-N 2 2 344.503 1.971 20 0 EDADLP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919646 444669098 /nfs/dbraw/zinc/66/90/98/444669098.db2.gz GXELZUDWBDMLJE-KURKYZTESA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919646 444669102 /nfs/dbraw/zinc/66/91/02/444669102.db2.gz GXELZUDWBDMLJE-KURKYZTESA-N 2 2 336.524 1.345 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[nH+]cn1 ZINC000333895636 444711606 /nfs/dbraw/zinc/71/16/06/444711606.db2.gz YGDPTVHUWRBVLN-OAGGEKHMSA-N 2 2 331.464 1.264 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc[nH+]1 ZINC000333895636 444711610 /nfs/dbraw/zinc/71/16/10/444711610.db2.gz YGDPTVHUWRBVLN-OAGGEKHMSA-N 2 2 331.464 1.264 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccnc(N(C)C)n3)CC2)CC1 ZINC000341186107 444716118 /nfs/dbraw/zinc/71/61/18/444716118.db2.gz OFVXQFWEKISYGG-UHFFFAOYSA-N 2 2 346.523 1.533 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000343942790 444684954 /nfs/dbraw/zinc/68/49/54/444684954.db2.gz UXEVWDAVORFFPO-KZNAEPCWSA-N 2 2 336.524 1.203 20 0 EDADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000343942790 444684956 /nfs/dbraw/zinc/68/49/56/444684956.db2.gz UXEVWDAVORFFPO-KZNAEPCWSA-N 2 2 336.524 1.203 20 0 EDADLP O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000333707009 444692014 /nfs/dbraw/zinc/69/20/14/444692014.db2.gz RQMZEWUNJIIVKD-UHFFFAOYSA-N 2 2 349.523 1.083 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000341237258 444743823 /nfs/dbraw/zinc/74/38/23/444743823.db2.gz OUJNHDPISGITML-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000341237258 444743826 /nfs/dbraw/zinc/74/38/26/444743826.db2.gz OUJNHDPISGITML-LSDHHAIUSA-N 2 2 326.485 1.079 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000344104758 444783685 /nfs/dbraw/zinc/78/36/85/444783685.db2.gz IRHURLHWKHHCCW-SJORKVTESA-N 2 2 346.381 1.994 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000344104758 444783689 /nfs/dbraw/zinc/78/36/89/444783689.db2.gz IRHURLHWKHHCCW-SJORKVTESA-N 2 2 346.381 1.994 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC000341296891 444766277 /nfs/dbraw/zinc/76/62/77/444766277.db2.gz HUDJQAQULBXVGN-HZPDHXFCSA-N 2 2 338.496 1.364 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC000341296891 444766279 /nfs/dbraw/zinc/76/62/79/444766279.db2.gz HUDJQAQULBXVGN-HZPDHXFCSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000334068577 444769633 /nfs/dbraw/zinc/76/96/33/444769633.db2.gz RHUAABHBSKOZTF-CABCVRRESA-N 2 2 336.484 1.149 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000334068577 444769637 /nfs/dbraw/zinc/76/96/37/444769637.db2.gz RHUAABHBSKOZTF-CABCVRRESA-N 2 2 336.484 1.149 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cn1 ZINC000341331552 444782154 /nfs/dbraw/zinc/78/21/54/444782154.db2.gz OXOLBKIUWSRBCU-WFASDCNBSA-N 2 2 331.395 1.796 20 0 EDADLP CCO[C@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C12CCC2 ZINC000344138477 444802043 /nfs/dbraw/zinc/80/20/43/444802043.db2.gz NJPJCWFAIACFDA-ROUUACIJSA-N 2 2 339.524 1.314 20 0 EDADLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000336868408 444812457 /nfs/dbraw/zinc/81/24/57/444812457.db2.gz SANBMODRDYOFSE-UHFFFAOYSA-N 2 2 327.375 1.733 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000336869666 444813777 /nfs/dbraw/zinc/81/37/77/444813777.db2.gz DHWYSJGUKAOWSH-LSDHHAIUSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1C ZINC000336869666 444813779 /nfs/dbraw/zinc/81/37/79/444813779.db2.gz DHWYSJGUKAOWSH-LSDHHAIUSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[NH+]1C ZINC000336869666 444813781 /nfs/dbraw/zinc/81/37/81/444813781.db2.gz DHWYSJGUKAOWSH-LSDHHAIUSA-N 2 2 340.489 1.883 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(S(C)(=O)=O)cc2)CC[NH+]1C ZINC000336869666 444813784 /nfs/dbraw/zinc/81/37/84/444813784.db2.gz DHWYSJGUKAOWSH-LSDHHAIUSA-N 2 2 340.489 1.883 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccnc(C[NH3+])c1 ZINC000344116151 444789307 /nfs/dbraw/zinc/78/93/07/444789307.db2.gz SIQHWJUXXJZOAB-UHFFFAOYSA-N 2 2 327.388 1.333 20 0 EDADLP C[C@H](NC(=O)[C@@H]1CC[NH2+]CC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000342716173 444831099 /nfs/dbraw/zinc/83/10/99/444831099.db2.gz UXPAYIKWNZRAJD-KBPBESRZSA-N 2 2 345.434 1.381 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H]4OCCN(C)[C@H]4C3)c2cc1C ZINC000336891469 444836932 /nfs/dbraw/zinc/83/69/32/444836932.db2.gz PYFSOFNJGPROQM-MNEFBYGVSA-N 2 2 344.459 1.029 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H]4OCCN(C)[C@H]4C3)c2cc1C ZINC000336891469 444836935 /nfs/dbraw/zinc/83/69/35/444836935.db2.gz PYFSOFNJGPROQM-MNEFBYGVSA-N 2 2 344.459 1.029 20 0 EDADLP COC1CC[NH+](C(C)(C)CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000341457597 444842553 /nfs/dbraw/zinc/84/25/53/444842553.db2.gz QFPDABSQLGAEHG-UHFFFAOYSA-N 2 2 337.468 1.462 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@H]1CC ZINC000342765396 444856101 /nfs/dbraw/zinc/85/61/01/444856101.db2.gz NTZGOFVXWNEYDO-ZIAGYGMSSA-N 2 2 333.423 1.191 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@H]1CC ZINC000342765396 444856105 /nfs/dbraw/zinc/85/61/05/444856105.db2.gz NTZGOFVXWNEYDO-ZIAGYGMSSA-N 2 2 333.423 1.191 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC(=O)N1C ZINC000330178940 444875521 /nfs/dbraw/zinc/87/55/21/444875521.db2.gz FAMQQXXROLUPSF-KSHUBEPDSA-N 2 2 345.491 1.524 20 0 EDADLP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC(=O)N1C ZINC000330178940 444875524 /nfs/dbraw/zinc/87/55/24/444875524.db2.gz FAMQQXXROLUPSF-KSHUBEPDSA-N 2 2 345.491 1.524 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341576079 444902932 /nfs/dbraw/zinc/90/29/32/444902932.db2.gz YMHRDYLZLOFSHP-PMPSAXMXSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341576079 444902937 /nfs/dbraw/zinc/90/29/37/444902937.db2.gz YMHRDYLZLOFSHP-PMPSAXMXSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000344336965 444904979 /nfs/dbraw/zinc/90/49/79/444904979.db2.gz CHKGBCXUVCOKQK-WMZOPIPTSA-N 2 2 336.524 1.251 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000344336965 444904981 /nfs/dbraw/zinc/90/49/81/444904981.db2.gz CHKGBCXUVCOKQK-WMZOPIPTSA-N 2 2 336.524 1.251 20 0 EDADLP Cc1cc(NC(=O)NCc2ccncc2OCCC[NH+](C)C)cc[nH+]1 ZINC000344416416 444953388 /nfs/dbraw/zinc/95/33/88/444953388.db2.gz JAFAYVHVEZEUSD-UHFFFAOYSA-N 2 2 343.431 1.859 20 0 EDADLP CC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341767851 444992529 /nfs/dbraw/zinc/99/25/29/444992529.db2.gz DJLQQSBVHPCLDK-IEBWSBKVSA-N 2 2 344.503 1.528 20 0 EDADLP CC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341767851 444992532 /nfs/dbraw/zinc/99/25/32/444992532.db2.gz DJLQQSBVHPCLDK-IEBWSBKVSA-N 2 2 344.503 1.528 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)[NH+]2CCOCC2)c1 ZINC000341773744 444994927 /nfs/dbraw/zinc/99/49/27/444994927.db2.gz QBQZMULVEVZBEH-QRQLOZEOSA-N 2 2 345.487 1.682 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)[NH+]2CCOCC2)c1 ZINC000341773744 444994931 /nfs/dbraw/zinc/99/49/31/444994931.db2.gz QBQZMULVEVZBEH-QRQLOZEOSA-N 2 2 345.487 1.682 20 0 EDADLP CN(c1ccccc1C[N@@H+]1C[C@@H](F)C[C@@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000344498355 445013055 /nfs/dbraw/zinc/01/30/55/445013055.db2.gz OMUQKNQVFXOETQ-MAUKXSAKSA-N 2 2 348.466 1.615 20 0 EDADLP CN(c1ccccc1C[N@H+]1C[C@@H](F)C[C@@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000344498355 445013057 /nfs/dbraw/zinc/01/30/57/445013057.db2.gz OMUQKNQVFXOETQ-MAUKXSAKSA-N 2 2 348.466 1.615 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000344558490 445059131 /nfs/dbraw/zinc/05/91/31/445059131.db2.gz LAXJGNMSPSGUIU-RBUKOAKNSA-N 2 2 326.444 1.758 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000344558490 445059135 /nfs/dbraw/zinc/05/91/35/445059135.db2.gz LAXJGNMSPSGUIU-RBUKOAKNSA-N 2 2 326.444 1.758 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000339234846 445105107 /nfs/dbraw/zinc/10/51/07/445105107.db2.gz WAEQBOJJTULGEK-ZDUSSCGKSA-N 2 2 325.840 1.723 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cccc(O)c2Cl)C1 ZINC000339234846 445105109 /nfs/dbraw/zinc/10/51/09/445105109.db2.gz WAEQBOJJTULGEK-ZDUSSCGKSA-N 2 2 325.840 1.723 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)C[C@@H]21 ZINC000342096288 445169726 /nfs/dbraw/zinc/16/97/26/445169726.db2.gz ZFLGQYOCTUPHEP-HZSPNIEDSA-N 2 2 328.416 1.031 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)C[C@@H]21 ZINC000342096288 445169729 /nfs/dbraw/zinc/16/97/29/445169729.db2.gz ZFLGQYOCTUPHEP-HZSPNIEDSA-N 2 2 328.416 1.031 20 0 EDADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000345334867 445182405 /nfs/dbraw/zinc/18/24/05/445182405.db2.gz XISCPJNTHQLJFN-KDQZPGIASA-N 2 2 331.464 1.154 20 0 EDADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1 ZINC000345334867 445182407 /nfs/dbraw/zinc/18/24/07/445182407.db2.gz XISCPJNTHQLJFN-KDQZPGIASA-N 2 2 331.464 1.154 20 0 EDADLP COc1cc(C)c([C@@H](C)NC(=O)C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000342120922 445183783 /nfs/dbraw/zinc/18/37/83/445183783.db2.gz AGMYCOQCKJGKQD-CYBMUJFWSA-N 2 2 335.448 1.660 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000337598557 445159136 /nfs/dbraw/zinc/15/91/36/445159136.db2.gz MEUAAVGBKBXWTF-HZPDHXFCSA-N 2 2 349.479 1.215 20 0 EDADLP CN(CC[NH+]1CCCCC1)C[C@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000348093178 445266074 /nfs/dbraw/zinc/26/60/74/445266074.db2.gz ZHAUJWZRVWWGTC-ZWKOTPCHSA-N 2 2 337.487 1.750 20 0 EDADLP CN(CC[NH+]1CCCCC1)C[C@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000348093178 445266075 /nfs/dbraw/zinc/26/60/75/445266075.db2.gz ZHAUJWZRVWWGTC-ZWKOTPCHSA-N 2 2 337.487 1.750 20 0 EDADLP CCCCNC(=O)C[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348098638 445266404 /nfs/dbraw/zinc/26/64/04/445266404.db2.gz FEOVUUORLPKGNJ-CABCVRRESA-N 2 2 339.459 1.181 20 0 EDADLP CCCCNC(=O)C[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348098638 445266408 /nfs/dbraw/zinc/26/64/08/445266408.db2.gz FEOVUUORLPKGNJ-CABCVRRESA-N 2 2 339.459 1.181 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@H+](C)CCn2cc[nH+]c2)cc[nH+]1 ZINC000348178240 445306235 /nfs/dbraw/zinc/30/62/35/445306235.db2.gz LXVKHRYPXMHRCB-HUUCEWRRSA-N 3 2 347.442 1.288 20 0 EDADLP CN(C)c1nc(N2C[C@H](F)C[C@@H]2C[N@@H+](C)CCn2cc[nH+]c2)cc[nH+]1 ZINC000348178240 445306240 /nfs/dbraw/zinc/30/62/40/445306240.db2.gz LXVKHRYPXMHRCB-HUUCEWRRSA-N 3 2 347.442 1.288 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H]2c2ccccc2)C1 ZINC000348526144 445314939 /nfs/dbraw/zinc/31/49/39/445314939.db2.gz MCUSXZNPJNGMHC-RBUKOAKNSA-N 2 2 345.487 1.906 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H]2c2ccccc2)C1 ZINC000348526144 445314941 /nfs/dbraw/zinc/31/49/41/445314941.db2.gz MCUSXZNPJNGMHC-RBUKOAKNSA-N 2 2 345.487 1.906 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)C1 ZINC000348526144 445314945 /nfs/dbraw/zinc/31/49/45/445314945.db2.gz MCUSXZNPJNGMHC-RBUKOAKNSA-N 2 2 345.487 1.906 20 0 EDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)C1 ZINC000348526144 445314946 /nfs/dbraw/zinc/31/49/46/445314946.db2.gz MCUSXZNPJNGMHC-RBUKOAKNSA-N 2 2 345.487 1.906 20 0 EDADLP Cn1cc(CC[N@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000348209063 445316888 /nfs/dbraw/zinc/31/68/88/445316888.db2.gz ILXZWVMCKBZWGT-JKSUJKDBSA-N 2 2 334.443 1.241 20 0 EDADLP Cn1cc(CC[N@@H+](C)C[C@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000348209063 445316891 /nfs/dbraw/zinc/31/68/91/445316891.db2.gz ILXZWVMCKBZWGT-JKSUJKDBSA-N 2 2 334.443 1.241 20 0 EDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351775570 445316897 /nfs/dbraw/zinc/31/68/97/445316897.db2.gz QRLYURFXMJFORG-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351775570 445316900 /nfs/dbraw/zinc/31/69/00/445316900.db2.gz QRLYURFXMJFORG-ROUUACIJSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351775569 445317059 /nfs/dbraw/zinc/31/70/59/445317059.db2.gz QRLYURFXMJFORG-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351775569 445317062 /nfs/dbraw/zinc/31/70/62/445317062.db2.gz QRLYURFXMJFORG-QZTJIDSGSA-N 2 2 336.524 1.489 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)C2CC[NH+](CC(F)F)CC2)CCSC1 ZINC000354512193 445272011 /nfs/dbraw/zinc/27/20/11/445272011.db2.gz NYTKHISQXLLQRL-HNNXBMFYSA-N 2 2 335.464 1.517 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)c1ccccc1 ZINC000351723751 445293469 /nfs/dbraw/zinc/29/34/69/445293469.db2.gz RJLHSKRWSGRSJB-SQNIBIBYSA-N 2 2 331.460 1.611 20 0 EDADLP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)c1ccccc1 ZINC000351723751 445293472 /nfs/dbraw/zinc/29/34/72/445293472.db2.gz RJLHSKRWSGRSJB-SQNIBIBYSA-N 2 2 331.460 1.611 20 0 EDADLP CC[NH+](CC)[C@H](CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)c1ccco1 ZINC000348452778 445296124 /nfs/dbraw/zinc/29/61/24/445296124.db2.gz WRISMYGOXDDCAG-UONOGXRCSA-N 2 2 345.403 1.549 20 0 EDADLP CC[NH+](CC)[C@H](CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)c1ccco1 ZINC000348452778 445296126 /nfs/dbraw/zinc/29/61/26/445296126.db2.gz WRISMYGOXDDCAG-UONOGXRCSA-N 2 2 345.403 1.549 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000343676501 445296830 /nfs/dbraw/zinc/29/68/30/445296830.db2.gz RDASEQZWMWZJDD-LULLPPNCSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000343676501 445296833 /nfs/dbraw/zinc/29/68/33/445296833.db2.gz RDASEQZWMWZJDD-LULLPPNCSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000343676501 445296836 /nfs/dbraw/zinc/29/68/36/445296836.db2.gz RDASEQZWMWZJDD-LULLPPNCSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000343676501 445296840 /nfs/dbraw/zinc/29/68/40/445296840.db2.gz RDASEQZWMWZJDD-LULLPPNCSA-N 2 2 343.471 1.296 20 0 EDADLP C[C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)[NH+]1CCSCC1 ZINC000343683542 445300997 /nfs/dbraw/zinc/30/09/97/445300997.db2.gz WPQAYLMPMSWREH-HNNXBMFYSA-N 2 2 341.521 1.185 20 0 EDADLP C[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C(N)=O)C1 ZINC000351822881 445333591 /nfs/dbraw/zinc/33/35/91/445333591.db2.gz YRZIKQHUVFDRQM-PKOBYXMFSA-N 2 2 344.503 1.785 20 0 EDADLP C[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C(N)=O)C1 ZINC000351822881 445333592 /nfs/dbraw/zinc/33/35/92/445333592.db2.gz YRZIKQHUVFDRQM-PKOBYXMFSA-N 2 2 344.503 1.785 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853191 445343795 /nfs/dbraw/zinc/34/37/95/445343795.db2.gz OGHKNUXQKOQAFY-JYJNAYRXSA-N 2 2 346.475 1.416 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351853191 445343797 /nfs/dbraw/zinc/34/37/97/445343797.db2.gz OGHKNUXQKOQAFY-JYJNAYRXSA-N 2 2 346.475 1.416 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000362384758 445355941 /nfs/dbraw/zinc/35/59/41/445355941.db2.gz LBANPERUWQHQEV-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000362384758 445355945 /nfs/dbraw/zinc/35/59/45/445355945.db2.gz LBANPERUWQHQEV-KSZLIROESA-N 2 2 337.508 1.820 20 0 EDADLP COC(=O)c1cnoc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000352003190 445431099 /nfs/dbraw/zinc/43/10/99/445431099.db2.gz KBCYNYHIBXZGHL-UHFFFAOYSA-N 2 2 337.420 1.538 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357079071 445412852 /nfs/dbraw/zinc/41/28/52/445412852.db2.gz CKNMRIWWWLHHKK-RTBURBONSA-N 2 2 345.487 1.769 20 0 EDADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357079071 445412855 /nfs/dbraw/zinc/41/28/55/445412855.db2.gz CKNMRIWWWLHHKK-RTBURBONSA-N 2 2 345.487 1.769 20 0 EDADLP CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000357082325 445415059 /nfs/dbraw/zinc/41/50/59/445415059.db2.gz HTZMNLKMFWPZJC-INIZCTEOSA-N 2 2 349.475 1.136 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cc1O ZINC000354855509 445427147 /nfs/dbraw/zinc/42/71/47/445427147.db2.gz IUMDOXLNEFCKOT-CABCVRRESA-N 2 2 348.422 1.837 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@H](F)C[C@H]1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000354858088 445428977 /nfs/dbraw/zinc/42/89/77/445428977.db2.gz NNZZHYQCCOVSLS-YPMHNXCESA-N 2 2 342.369 1.714 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)c1cccs1 ZINC000348888091 445430635 /nfs/dbraw/zinc/43/06/35/445430635.db2.gz ZIWWFYUSITVBAN-MGPQQGTHSA-N 2 2 338.477 1.075 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1cccs1 ZINC000348888091 445430639 /nfs/dbraw/zinc/43/06/39/445430639.db2.gz ZIWWFYUSITVBAN-MGPQQGTHSA-N 2 2 338.477 1.075 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000352011691 445437773 /nfs/dbraw/zinc/43/77/73/445437773.db2.gz CJBVEONEZZITBF-JKSUJKDBSA-N 2 2 331.460 1.683 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000352011691 445437778 /nfs/dbraw/zinc/43/77/78/445437778.db2.gz CJBVEONEZZITBF-JKSUJKDBSA-N 2 2 331.460 1.683 20 0 EDADLP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)n2c1 ZINC000362661181 445483041 /nfs/dbraw/zinc/48/30/41/445483041.db2.gz COUNZEGQAFHADT-HNNXBMFYSA-N 2 2 327.432 1.039 20 0 EDADLP Cc1ccc2ncc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)n2c1 ZINC000362661181 445483044 /nfs/dbraw/zinc/48/30/44/445483044.db2.gz COUNZEGQAFHADT-HNNXBMFYSA-N 2 2 327.432 1.039 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357141890 445451326 /nfs/dbraw/zinc/45/13/26/445451326.db2.gz GNVPALXERVHKOL-NEPJUHHUSA-N 2 2 332.370 1.711 20 0 EDADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357141890 445451328 /nfs/dbraw/zinc/45/13/28/445451328.db2.gz GNVPALXERVHKOL-NEPJUHHUSA-N 2 2 332.370 1.711 20 0 EDADLP O[C@@H](COCc1cccs1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625553215 450424317 /nfs/dbraw/zinc/42/43/17/450424317.db2.gz SQXAAORZJGSHSL-MRXNPFEDSA-N 2 2 340.489 1.422 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[N@H+](C)Cc1ccccc1 ZINC000355935783 445536719 /nfs/dbraw/zinc/53/67/19/445536719.db2.gz JGTPBXOWDUHXHG-FUHWJXTLSA-N 2 2 333.476 1.422 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000355935783 445536722 /nfs/dbraw/zinc/53/67/22/445536722.db2.gz JGTPBXOWDUHXHG-FUHWJXTLSA-N 2 2 333.476 1.422 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)c1cc(C[NH+]2CCCC2)on1 ZINC000360003004 445522180 /nfs/dbraw/zinc/52/21/80/445522180.db2.gz CAGJOVCBGDBXOQ-UHFFFAOYSA-N 2 2 336.436 1.113 20 0 EDADLP COc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000362666956 445488365 /nfs/dbraw/zinc/48/83/65/445488365.db2.gz QSVSTGSLHANMHW-HNNXBMFYSA-N 2 2 333.432 1.100 20 0 EDADLP COc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000362666956 445488366 /nfs/dbraw/zinc/48/83/66/445488366.db2.gz QSVSTGSLHANMHW-HNNXBMFYSA-N 2 2 333.432 1.100 20 0 EDADLP O=C(C[C@H]1COCC[NH2+]1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000357238673 445499778 /nfs/dbraw/zinc/49/97/78/445499778.db2.gz HGVIGNPCFNFYBM-INIZCTEOSA-N 2 2 332.448 1.457 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000359953125 445502165 /nfs/dbraw/zinc/50/21/65/445502165.db2.gz UITBVVBMUXWOPT-AWEZNQCLSA-N 2 2 335.448 1.723 20 0 EDADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000359952931 445502402 /nfs/dbraw/zinc/50/24/02/445502402.db2.gz RKSKWJYLIKHAQJ-GDBMZVCRSA-N 2 2 347.459 1.405 20 0 EDADLP CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000362693759 445503926 /nfs/dbraw/zinc/50/39/26/445503926.db2.gz NXADXQWJWRPRHO-CYBMUJFWSA-N 2 2 336.505 1.837 20 0 EDADLP CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000362693759 445503930 /nfs/dbraw/zinc/50/39/30/445503930.db2.gz NXADXQWJWRPRHO-CYBMUJFWSA-N 2 2 336.505 1.837 20 0 EDADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@@H+]1CCc2ccccc2C1 ZINC000355851228 445505312 /nfs/dbraw/zinc/50/53/12/445505312.db2.gz AZXCUNWQBWWROY-AWEZNQCLSA-N 2 2 342.443 1.913 20 0 EDADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@H+]1CCc2ccccc2C1 ZINC000355851228 445505316 /nfs/dbraw/zinc/50/53/16/445505316.db2.gz AZXCUNWQBWWROY-AWEZNQCLSA-N 2 2 342.443 1.913 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000352810487 445557357 /nfs/dbraw/zinc/55/73/57/445557357.db2.gz CSHLOPXMMJXXGP-SIRPWMCASA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000352810487 445557360 /nfs/dbraw/zinc/55/73/60/445557360.db2.gz CSHLOPXMMJXXGP-SIRPWMCASA-N 2 2 325.497 1.671 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362806753 445558475 /nfs/dbraw/zinc/55/84/75/445558475.db2.gz FOXWWYABAVLOSK-WBVHZDCISA-N 2 2 331.460 1.963 20 0 EDADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362806753 445558478 /nfs/dbraw/zinc/55/84/78/445558478.db2.gz FOXWWYABAVLOSK-WBVHZDCISA-N 2 2 331.460 1.963 20 0 EDADLP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362829248 445569808 /nfs/dbraw/zinc/56/98/08/445569808.db2.gz GEXOBUDRCRQVQQ-MRXNPFEDSA-N 2 2 344.459 1.138 20 0 EDADLP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362829248 445569812 /nfs/dbraw/zinc/56/98/12/445569812.db2.gz GEXOBUDRCRQVQQ-MRXNPFEDSA-N 2 2 344.459 1.138 20 0 EDADLP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000360120516 445578148 /nfs/dbraw/zinc/57/81/48/445578148.db2.gz WTDXGNRFLBBTOY-IRXDYDNUSA-N 2 2 342.528 1.859 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000360205463 445627357 /nfs/dbraw/zinc/62/73/57/445627357.db2.gz UXTRHUKYOXUTMW-MRXNPFEDSA-N 2 2 334.445 1.585 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000360205463 445627362 /nfs/dbraw/zinc/62/73/62/445627362.db2.gz UXTRHUKYOXUTMW-MRXNPFEDSA-N 2 2 334.445 1.585 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360212541 445632311 /nfs/dbraw/zinc/63/23/11/445632311.db2.gz JUFBVKSUKHDZLN-BZSNNMDCSA-N 2 2 339.524 1.922 20 0 EDADLP CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000360212541 445632314 /nfs/dbraw/zinc/63/23/14/445632314.db2.gz JUFBVKSUKHDZLN-BZSNNMDCSA-N 2 2 339.524 1.922 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1C ZINC000363144734 445694677 /nfs/dbraw/zinc/69/46/77/445694677.db2.gz DMVBWHSLAOAPLI-INIZCTEOSA-N 2 2 332.448 1.055 20 0 EDADLP COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[N@H+]3CCN2CCC3)c1C ZINC000363144734 445694679 /nfs/dbraw/zinc/69/46/79/445694679.db2.gz DMVBWHSLAOAPLI-INIZCTEOSA-N 2 2 332.448 1.055 20 0 EDADLP CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000358667537 445703534 /nfs/dbraw/zinc/70/35/34/445703534.db2.gz PISOAYQNJMCGQZ-QGZVFWFLSA-N 2 2 336.480 1.145 20 0 EDADLP CC1=CC[N@@H+](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000358667537 445703538 /nfs/dbraw/zinc/70/35/38/445703538.db2.gz PISOAYQNJMCGQZ-QGZVFWFLSA-N 2 2 336.480 1.145 20 0 EDADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000358678154 445711481 /nfs/dbraw/zinc/71/14/81/445711481.db2.gz HHCPSUDUHICTDV-NEWSRXKRSA-N 2 2 345.487 1.873 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)Cc1cccnc1)[C@H]1CC12CC[NH2+]CC2 ZINC000353695531 445712595 /nfs/dbraw/zinc/71/25/95/445712595.db2.gz JEIVKLFTBOFWDI-INIZCTEOSA-N 2 2 339.443 1.529 20 0 EDADLP C[C@H]1CCC[N@H+](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000363208690 445722552 /nfs/dbraw/zinc/72/25/52/445722552.db2.gz XGNDTVPZTLOINZ-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000363208690 445722555 /nfs/dbraw/zinc/72/25/55/445722555.db2.gz XGNDTVPZTLOINZ-HNNXBMFYSA-N 2 2 342.447 1.798 20 0 EDADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363233207 445734248 /nfs/dbraw/zinc/73/42/48/445734248.db2.gz DDDMIHFQIVHADV-QZTJIDSGSA-N 2 2 340.427 1.544 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000349996411 445746077 /nfs/dbraw/zinc/74/60/77/445746077.db2.gz WFUYBLFHJBMNLY-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000349996411 445746083 /nfs/dbraw/zinc/74/60/83/445746083.db2.gz WFUYBLFHJBMNLY-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000349996411 445746087 /nfs/dbraw/zinc/74/60/87/445746087.db2.gz WFUYBLFHJBMNLY-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000349996411 445746090 /nfs/dbraw/zinc/74/60/90/445746090.db2.gz WFUYBLFHJBMNLY-DLBZAZTESA-N 2 2 348.491 1.527 20 0 EDADLP O=C(N[C@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000361101184 445748833 /nfs/dbraw/zinc/74/88/33/445748833.db2.gz ZRKNERQFTSETMA-OALUTQOASA-N 2 2 343.471 1.637 20 0 EDADLP C[C@H](C[NH2+][C@H](c1ncc[nH]1)c1cccnc1)CN1CC[NH+](C)CC1 ZINC000358742293 445754139 /nfs/dbraw/zinc/75/41/39/445754139.db2.gz BDBPHEJQQXYHPV-WBVHZDCISA-N 2 2 328.464 1.367 20 0 EDADLP CC[NH+]1CCN([C@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)CC1 ZINC000363302497 445757667 /nfs/dbraw/zinc/75/76/67/445757667.db2.gz ITPZGYGRGNWZRS-KRWDZBQOSA-N 2 2 347.507 1.635 20 0 EDADLP COCC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353946598 445822340 /nfs/dbraw/zinc/82/23/40/445822340.db2.gz IFAWPQJVLZGLAE-XWDNEUNKSA-N 2 2 337.508 1.865 20 0 EDADLP COCC[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353946598 445822344 /nfs/dbraw/zinc/82/23/44/445822344.db2.gz IFAWPQJVLZGLAE-XWDNEUNKSA-N 2 2 337.508 1.865 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000363464584 445814554 /nfs/dbraw/zinc/81/45/54/445814554.db2.gz PPYUFDITAIBNJE-CQSZACIVSA-N 2 2 335.452 1.410 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000363464584 445814558 /nfs/dbraw/zinc/81/45/58/445814558.db2.gz PPYUFDITAIBNJE-CQSZACIVSA-N 2 2 335.452 1.410 20 0 EDADLP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCCCC1 ZINC000356593360 445877251 /nfs/dbraw/zinc/87/72/51/445877251.db2.gz FXIAIYQPIUSBOH-QGZVFWFLSA-N 2 2 337.508 1.822 20 0 EDADLP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000363507163 445837126 /nfs/dbraw/zinc/83/71/26/445837126.db2.gz SEQKPTQWAYKWIV-AWEZNQCLSA-N 2 2 336.436 1.323 20 0 EDADLP COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000363507163 445837130 /nfs/dbraw/zinc/83/71/30/445837130.db2.gz SEQKPTQWAYKWIV-AWEZNQCLSA-N 2 2 336.436 1.323 20 0 EDADLP CC[NH+](CC)C[C@H](C)Nc1nc(N)c2cc(OC)c(OC)cc2[nH+]1 ZINC000350736877 445892931 /nfs/dbraw/zinc/89/29/31/445892931.db2.gz MKKSEUFMAUYONM-NSHDSACASA-N 2 2 333.436 1.793 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000356623903 445893662 /nfs/dbraw/zinc/89/36/62/445893662.db2.gz NKKYRHRGEXTXIH-DLBZAZTESA-N 2 2 325.497 1.722 20 0 EDADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000356623903 445893667 /nfs/dbraw/zinc/89/36/67/445893667.db2.gz NKKYRHRGEXTXIH-DLBZAZTESA-N 2 2 325.497 1.722 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000354144821 445942488 /nfs/dbraw/zinc/94/24/88/445942488.db2.gz WAXNBMDEIMUQLK-UHFFFAOYSA-N 2 2 330.432 1.308 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000359135237 445972968 /nfs/dbraw/zinc/97/29/68/445972968.db2.gz DSQIBMXHPMSIRU-DOMZBBRYSA-N 2 2 341.452 1.405 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000359135237 445972975 /nfs/dbraw/zinc/97/29/75/445972975.db2.gz DSQIBMXHPMSIRU-DOMZBBRYSA-N 2 2 341.452 1.405 20 0 EDADLP CC1CCC([NH+]2CCC(Nc3nc4c(cnn4C)c(N)[nH+]3)CC2)CC1 ZINC000365013730 445974769 /nfs/dbraw/zinc/97/47/69/445974769.db2.gz FFBRLVDNOQYITK-UHFFFAOYSA-N 2 2 343.479 2.401 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366076426 445997144 /nfs/dbraw/zinc/99/71/44/445997144.db2.gz GJBQHRPOXBOQGO-GOEBONIOSA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366076426 445997152 /nfs/dbraw/zinc/99/71/52/445997152.db2.gz GJBQHRPOXBOQGO-GOEBONIOSA-N 2 2 326.485 1.125 20 0 EDADLP CC1(C)CCC[C@]1(O)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000354150982 445949189 /nfs/dbraw/zinc/94/91/89/445949189.db2.gz UQSMGNPHXCCTTB-IBGZPJMESA-N 2 2 339.524 1.314 20 0 EDADLP CC1(C)CCC[C@]1(O)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000354150982 445949192 /nfs/dbraw/zinc/94/91/92/445949192.db2.gz UQSMGNPHXCCTTB-IBGZPJMESA-N 2 2 339.524 1.314 20 0 EDADLP CC1CC[NH+](CC(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC000366116796 446023710 /nfs/dbraw/zinc/02/37/10/446023710.db2.gz ANPBCYHWJUXALL-GOSISDBHSA-N 2 2 336.524 1.204 20 0 EDADLP COc1ccc(OCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369270315 446035843 /nfs/dbraw/zinc/03/58/43/446035843.db2.gz ZUTOWPFKKBOTHD-OAHLLOKOSA-N 2 2 347.459 1.359 20 0 EDADLP COc1ccc(OCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369270315 446035849 /nfs/dbraw/zinc/03/58/49/446035849.db2.gz ZUTOWPFKKBOTHD-OAHLLOKOSA-N 2 2 347.459 1.359 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(n3cc(C)cn3)CC2)CC1 ZINC000369276872 446043698 /nfs/dbraw/zinc/04/36/98/446043698.db2.gz ITRKSMZBNNZPBE-INIZCTEOSA-N 2 2 333.480 1.381 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3[nH]nc4ccccc43)C2)CC1 ZINC000369278101 446045317 /nfs/dbraw/zinc/04/53/17/446045317.db2.gz PEJZCISWXGXBAL-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3[nH]nc4ccccc43)C2)CC1 ZINC000369278101 446045320 /nfs/dbraw/zinc/04/53/20/446045320.db2.gz PEJZCISWXGXBAL-ZDUSSCGKSA-N 2 2 327.432 1.461 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccnc(OC3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000583192932 326022943 /nfs/dbraw/zinc/02/29/43/326022943.db2.gz FAAMLVQGFUOYFV-HNNXBMFYSA-N 2 2 347.463 1.187 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccnc(OC3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000583192932 326022947 /nfs/dbraw/zinc/02/29/47/326022947.db2.gz FAAMLVQGFUOYFV-HNNXBMFYSA-N 2 2 347.463 1.187 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000583194208 326023620 /nfs/dbraw/zinc/02/36/20/326023620.db2.gz DTKIBLBSOFJNMG-QKPAOTATSA-N 2 2 346.479 1.186 20 0 EDADLP CC1CCN(C(=O)C2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)CC1 ZINC000351385582 446052005 /nfs/dbraw/zinc/05/20/05/446052005.db2.gz NQMANCOCNYJVBP-SFHVURJKSA-N 2 2 337.508 1.412 20 0 EDADLP CC1CCN(C(=O)C2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)CC1 ZINC000351385582 446052012 /nfs/dbraw/zinc/05/20/12/446052012.db2.gz NQMANCOCNYJVBP-SFHVURJKSA-N 2 2 337.508 1.412 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cccc(OC(F)F)c2)C[C@H](C)O1 ZINC000583376470 326060720 /nfs/dbraw/zinc/06/07/20/326060720.db2.gz PDLYRUQUXSFGBC-VNHYZAJKSA-N 2 2 344.402 1.848 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccc(OC(F)F)c2)C[C@H](C)O1 ZINC000583376470 326060724 /nfs/dbraw/zinc/06/07/24/326060724.db2.gz PDLYRUQUXSFGBC-VNHYZAJKSA-N 2 2 344.402 1.848 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000583388533 326064554 /nfs/dbraw/zinc/06/45/54/326064554.db2.gz MJINEDUKHXNQFZ-JSGCOSHPSA-N 2 2 333.329 1.810 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000583388533 326064557 /nfs/dbraw/zinc/06/45/57/326064557.db2.gz MJINEDUKHXNQFZ-JSGCOSHPSA-N 2 2 333.329 1.810 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1-c1ncco1 ZINC000583552813 326093641 /nfs/dbraw/zinc/09/36/41/326093641.db2.gz VRGBNWDCQGRYPT-AWEZNQCLSA-N 2 2 329.404 1.757 20 0 EDADLP O=C(Nc1ccccc1)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000583624895 326105374 /nfs/dbraw/zinc/10/53/74/326105374.db2.gz DAHXFJNEPOPARL-BZSNNMDCSA-N 2 2 344.459 1.649 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000583747916 326132222 /nfs/dbraw/zinc/13/22/22/326132222.db2.gz JUEQLLYIFQJCII-QAPCUYQASA-N 2 2 329.448 1.454 20 0 EDADLP COCCCOc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000583859476 326153221 /nfs/dbraw/zinc/15/32/21/326153221.db2.gz BDAWQIRCTZBXCA-CQSZACIVSA-N 2 2 336.436 1.209 20 0 EDADLP COCCCOc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583859476 326153223 /nfs/dbraw/zinc/15/32/23/326153223.db2.gz BDAWQIRCTZBXCA-CQSZACIVSA-N 2 2 336.436 1.209 20 0 EDADLP CCN1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000584042862 326188489 /nfs/dbraw/zinc/18/84/89/326188489.db2.gz BHELBIUYABQIKM-HUUCEWRRSA-N 2 2 334.468 1.315 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000584285842 326234912 /nfs/dbraw/zinc/23/49/12/326234912.db2.gz YBWBWUQZVPITRT-HLLBOEOZSA-N 3 2 333.480 1.401 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000584285843 326235178 /nfs/dbraw/zinc/23/51/78/326235178.db2.gz YBWBWUQZVPITRT-INMHGKMJSA-N 3 2 333.480 1.401 20 0 EDADLP CN(C(=O)NC[C@H]1CCSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366172641 446061074 /nfs/dbraw/zinc/06/10/74/446061074.db2.gz RMWLTGUVSOFURS-ZBFHGGJFSA-N 2 2 340.537 1.549 20 0 EDADLP CN(C(=O)NC[C@H]1CCSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366172641 446061079 /nfs/dbraw/zinc/06/10/79/446061079.db2.gz RMWLTGUVSOFURS-ZBFHGGJFSA-N 2 2 340.537 1.549 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000365188441 446071732 /nfs/dbraw/zinc/07/17/32/446071732.db2.gz ZMJGOLPWQOGKDW-UHFFFAOYSA-N 2 2 335.452 1.064 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000373173175 446072312 /nfs/dbraw/zinc/07/23/12/446072312.db2.gz MRUIPUCRPZMTJV-ULQDDVLXSA-N 2 2 337.464 1.679 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000373173175 446072314 /nfs/dbraw/zinc/07/23/14/446072314.db2.gz MRUIPUCRPZMTJV-ULQDDVLXSA-N 2 2 337.464 1.679 20 0 EDADLP CC(C)OCCCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373172558 446073059 /nfs/dbraw/zinc/07/30/59/446073059.db2.gz FOZLAEAODUULQX-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)OCCCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373172558 446073069 /nfs/dbraw/zinc/07/30/69/446073069.db2.gz FOZLAEAODUULQX-MRXNPFEDSA-N 2 2 340.512 1.611 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)[C@H](C)[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356854962 446073609 /nfs/dbraw/zinc/07/36/09/446073609.db2.gz PLIDSTSSRLGMJA-JJTUDDRGSA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)[C@H](C)[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356854962 446073615 /nfs/dbraw/zinc/07/36/15/446073615.db2.gz PLIDSTSSRLGMJA-JJTUDDRGSA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356854962 446073622 /nfs/dbraw/zinc/07/36/22/446073622.db2.gz PLIDSTSSRLGMJA-JJTUDDRGSA-N 2 2 325.497 1.671 20 0 EDADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000356854962 446073626 /nfs/dbraw/zinc/07/36/26/446073626.db2.gz PLIDSTSSRLGMJA-JJTUDDRGSA-N 2 2 325.497 1.671 20 0 EDADLP CN(C(=O)c1cc(Cl)ccn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365220712 446085433 /nfs/dbraw/zinc/08/54/33/446085433.db2.gz FUJJYGWKNGXVCD-HNNXBMFYSA-N 2 2 336.867 1.976 20 0 EDADLP CN(C(=O)c1cc(Cl)ccn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365220712 446085436 /nfs/dbraw/zinc/08/54/36/446085436.db2.gz FUJJYGWKNGXVCD-HNNXBMFYSA-N 2 2 336.867 1.976 20 0 EDADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359299616 446133634 /nfs/dbraw/zinc/13/36/34/446133634.db2.gz GOQRIXOISUJUES-UXLLHSPISA-N 2 2 331.460 1.804 20 0 EDADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359299616 446133638 /nfs/dbraw/zinc/13/36/38/446133638.db2.gz GOQRIXOISUJUES-UXLLHSPISA-N 2 2 331.460 1.804 20 0 EDADLP CCN(C[C@H](C)OC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000361992064 446135059 /nfs/dbraw/zinc/13/50/59/446135059.db2.gz FDHLNYJIEFTGFY-HNNXBMFYSA-N 2 2 340.512 1.611 20 0 EDADLP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359304360 446136277 /nfs/dbraw/zinc/13/62/77/446136277.db2.gz KHZFGFPIIRZQSX-XOUIXPDISA-N 2 2 331.504 1.812 20 0 EDADLP COCCN(C(C)=O)c1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000351491849 446093310 /nfs/dbraw/zinc/09/33/10/446093310.db2.gz KFPAQWRMXSGYPF-AEGPPILISA-N 2 2 338.477 1.312 20 0 EDADLP COCCN(C(C)=O)c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000351491849 446093314 /nfs/dbraw/zinc/09/33/14/446093314.db2.gz KFPAQWRMXSGYPF-AEGPPILISA-N 2 2 338.477 1.312 20 0 EDADLP COC(=O)c1oc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000369359793 446101023 /nfs/dbraw/zinc/10/10/23/446101023.db2.gz SWCYBXBEMMUIFL-OAHLLOKOSA-N 2 2 335.448 1.586 20 0 EDADLP COC(=O)c1oc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000369359793 446101027 /nfs/dbraw/zinc/10/10/27/446101027.db2.gz SWCYBXBEMMUIFL-OAHLLOKOSA-N 2 2 335.448 1.586 20 0 EDADLP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000369363119 446103750 /nfs/dbraw/zinc/10/37/50/446103750.db2.gz OXEZQHPVWIDFLR-JKSUJKDBSA-N 2 2 336.480 1.119 20 0 EDADLP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000369363119 446103755 /nfs/dbraw/zinc/10/37/55/446103755.db2.gz OXEZQHPVWIDFLR-JKSUJKDBSA-N 2 2 336.480 1.119 20 0 EDADLP CN(C(=O)c1ccnc(F)c1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369413461 446119035 /nfs/dbraw/zinc/11/90/35/446119035.db2.gz WEFYHQXWFXGHBZ-CYBMUJFWSA-N 2 2 338.402 1.600 20 0 EDADLP CN(C(=O)c1ccnc(F)c1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369413461 446119040 /nfs/dbraw/zinc/11/90/40/446119040.db2.gz WEFYHQXWFXGHBZ-CYBMUJFWSA-N 2 2 338.402 1.600 20 0 EDADLP CN1CCc2ccc(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cc21 ZINC000356920370 446124433 /nfs/dbraw/zinc/12/44/33/446124433.db2.gz AVMLAQVLEDIFGN-UHFFFAOYSA-N 2 2 330.476 1.435 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCC)C1 ZINC000354378575 446161674 /nfs/dbraw/zinc/16/16/74/446161674.db2.gz CHJXXGQIWYXMBZ-SJORKVTESA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCC)C1 ZINC000354378575 446161679 /nfs/dbraw/zinc/16/16/79/446161679.db2.gz CHJXXGQIWYXMBZ-SJORKVTESA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000354378575 446161686 /nfs/dbraw/zinc/16/16/86/446161686.db2.gz CHJXXGQIWYXMBZ-SJORKVTESA-N 2 2 325.497 1.678 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000354378575 446161690 /nfs/dbraw/zinc/16/16/90/446161690.db2.gz CHJXXGQIWYXMBZ-SJORKVTESA-N 2 2 325.497 1.678 20 0 EDADLP C[C@@H]1[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1(F)F ZINC000359359385 446172735 /nfs/dbraw/zinc/17/27/35/446172735.db2.gz PBAWBEJBFQJCBZ-YYJFMHSASA-N 2 2 327.419 1.657 20 0 EDADLP C[C@@H]1[C@@H](C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1(F)F ZINC000359359385 446172739 /nfs/dbraw/zinc/17/27/39/446172739.db2.gz PBAWBEJBFQJCBZ-YYJFMHSASA-N 2 2 327.419 1.657 20 0 EDADLP C[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000359313067 446142884 /nfs/dbraw/zinc/14/28/84/446142884.db2.gz TYRTYLUIYACRBF-ZMYBRWDISA-N 2 2 327.472 1.894 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000359313067 446142887 /nfs/dbraw/zinc/14/28/87/446142887.db2.gz TYRTYLUIYACRBF-ZMYBRWDISA-N 2 2 327.472 1.894 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000354362923 446146312 /nfs/dbraw/zinc/14/63/12/446146312.db2.gz PMKJOVYOQKUCBA-OAGGEKHMSA-N 2 2 348.495 1.671 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)c1 ZINC000359483313 446250700 /nfs/dbraw/zinc/25/07/00/446250700.db2.gz PGNYPZYFVPUMFU-UHFFFAOYSA-N 2 2 328.420 1.508 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000366536227 446253097 /nfs/dbraw/zinc/25/30/97/446253097.db2.gz UUKPFCBACUFIQE-CABCVRRESA-N 2 2 333.436 1.510 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000366536227 446253101 /nfs/dbraw/zinc/25/31/01/446253101.db2.gz UUKPFCBACUFIQE-CABCVRRESA-N 2 2 333.436 1.510 20 0 EDADLP CN1c2ccc(C[NH2+]C[C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)cc2CCC1=O ZINC000370420199 446270714 /nfs/dbraw/zinc/27/07/14/446270714.db2.gz FRLWBBKMMGNWJU-QZTJIDSGSA-N 2 2 343.471 1.939 20 0 EDADLP CN1c2ccc(C[NH2+]C[C@@H]3C[N@H+]4CCCC[C@@H]4CO3)cc2CCC1=O ZINC000370420199 446270718 /nfs/dbraw/zinc/27/07/18/446270718.db2.gz FRLWBBKMMGNWJU-QZTJIDSGSA-N 2 2 343.471 1.939 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnc3n2CCOC3)C1 ZINC000366654672 446296650 /nfs/dbraw/zinc/29/66/50/446296650.db2.gz PUBWHAFZRJEHKN-CQSZACIVSA-N 2 2 330.436 1.965 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)C1 ZINC000366654672 446296654 /nfs/dbraw/zinc/29/66/54/446296654.db2.gz PUBWHAFZRJEHKN-CQSZACIVSA-N 2 2 330.436 1.965 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc2n1CCOC2 ZINC000366650807 446294150 /nfs/dbraw/zinc/29/41/50/446294150.db2.gz FHGGAVXKXBNIDL-CQSZACIVSA-N 2 2 330.436 1.793 20 0 EDADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc2n1CCOC2 ZINC000366650807 446294152 /nfs/dbraw/zinc/29/41/52/446294152.db2.gz FHGGAVXKXBNIDL-CQSZACIVSA-N 2 2 330.436 1.793 20 0 EDADLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)[C@H]1SC ZINC000362311849 446315430 /nfs/dbraw/zinc/31/54/30/446315430.db2.gz DWPOIDVZTHHZQL-SQWLQELKSA-N 2 2 329.510 1.038 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000366705853 446316395 /nfs/dbraw/zinc/31/63/95/446316395.db2.gz ALKMWNZKOBYWRQ-ZHALLVOQSA-N 2 2 345.487 1.829 20 0 EDADLP COCC[NH+]1[C@H](C)CN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000366705853 446316397 /nfs/dbraw/zinc/31/63/97/446316397.db2.gz ALKMWNZKOBYWRQ-ZHALLVOQSA-N 2 2 345.487 1.829 20 0 EDADLP Cc1noc2ncnc(N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c12 ZINC000373872929 446339509 /nfs/dbraw/zinc/33/95/09/446339509.db2.gz UJWQFTGGMSOXFT-GFCCVEGCSA-N 2 2 330.436 1.531 20 0 EDADLP Cc1noc2ncnc(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c12 ZINC000373872929 446339512 /nfs/dbraw/zinc/33/95/12/446339512.db2.gz UJWQFTGGMSOXFT-GFCCVEGCSA-N 2 2 330.436 1.531 20 0 EDADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417527031 446361420 /nfs/dbraw/zinc/36/14/20/446361420.db2.gz NPTSUAVMMQMJGY-INIZCTEOSA-N 2 2 334.464 1.268 20 0 EDADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417527031 446361426 /nfs/dbraw/zinc/36/14/26/446361426.db2.gz NPTSUAVMMQMJGY-INIZCTEOSA-N 2 2 334.464 1.268 20 0 EDADLP CC(C)n1nccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366832787 446373271 /nfs/dbraw/zinc/37/32/71/446373271.db2.gz XUZOKUBMSLVPTA-UHFFFAOYSA-N 2 2 347.507 1.840 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417836060 446375402 /nfs/dbraw/zinc/37/54/02/446375402.db2.gz UPIIXYPMAWFWFL-BFHYXJOUSA-N 2 2 340.493 1.499 20 0 EDADLP C[C@@H](C[NH3+])N(C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417836060 446375405 /nfs/dbraw/zinc/37/54/05/446375405.db2.gz UPIIXYPMAWFWFL-BFHYXJOUSA-N 2 2 340.493 1.499 20 0 EDADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420252787 446433981 /nfs/dbraw/zinc/43/39/81/446433981.db2.gz OMOFHBFGGATGRC-LRDDRELGSA-N 2 2 329.400 1.134 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000420265864 446439401 /nfs/dbraw/zinc/43/94/01/446439401.db2.gz BWGPFEXDHXMKAN-INIZCTEOSA-N 2 2 327.432 1.988 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c(C)[nH+]1 ZINC000411251022 446444498 /nfs/dbraw/zinc/44/44/98/446444498.db2.gz HBRGGUYKTTWWLO-OAHLLOKOSA-N 2 2 332.448 1.744 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c(C)[nH+]1 ZINC000411251022 446444505 /nfs/dbraw/zinc/44/45/05/446444505.db2.gz HBRGGUYKTTWWLO-OAHLLOKOSA-N 2 2 332.448 1.744 20 0 EDADLP [NH3+]C[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000418046132 446424482 /nfs/dbraw/zinc/42/44/82/446424482.db2.gz HAFYKYXTDQQBFD-AWEZNQCLSA-N 2 2 336.867 1.831 20 0 EDADLP [NH3+]C[C@@H]1CCCN1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000418046132 446424486 /nfs/dbraw/zinc/42/44/86/446424486.db2.gz HAFYKYXTDQQBFD-AWEZNQCLSA-N 2 2 336.867 1.831 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCOCCC(C)C)CC2)C1 ZINC000370766796 446426127 /nfs/dbraw/zinc/42/61/27/446426127.db2.gz KTFZTBDADYWTHZ-SFHVURJKSA-N 2 2 327.513 1.387 20 0 EDADLP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCOCCC(C)C)CC2)C1 ZINC000370766796 446426131 /nfs/dbraw/zinc/42/61/31/446426131.db2.gz KTFZTBDADYWTHZ-SFHVURJKSA-N 2 2 327.513 1.387 20 0 EDADLP CCCN(CC[NH+](CC)CC)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000432178759 446454377 /nfs/dbraw/zinc/45/43/77/446454377.db2.gz NOJFOCVDBBWARR-INIZCTEOSA-N 2 2 335.496 1.996 20 0 EDADLP COCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000370819391 446459287 /nfs/dbraw/zinc/45/92/87/446459287.db2.gz JZDNCZULHDQKLV-OAHLLOKOSA-N 2 2 335.448 1.667 20 0 EDADLP COCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000370819391 446459292 /nfs/dbraw/zinc/45/92/92/446459292.db2.gz JZDNCZULHDQKLV-OAHLLOKOSA-N 2 2 335.448 1.667 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420298935 446460914 /nfs/dbraw/zinc/46/09/14/446460914.db2.gz AGZXHMMHXUKCCG-IHRRRGAJSA-N 2 2 333.432 1.660 20 0 EDADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420298935 446460921 /nfs/dbraw/zinc/46/09/21/446460921.db2.gz AGZXHMMHXUKCCG-IHRRRGAJSA-N 2 2 333.432 1.660 20 0 EDADLP COc1ccccc1CCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420303106 446466021 /nfs/dbraw/zinc/46/60/21/446466021.db2.gz HAFBWEOHJXSKAP-KRWDZBQOSA-N 2 2 331.460 1.524 20 0 EDADLP COc1ccccc1CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420303106 446466025 /nfs/dbraw/zinc/46/60/25/446466025.db2.gz HAFBWEOHJXSKAP-KRWDZBQOSA-N 2 2 331.460 1.524 20 0 EDADLP CC(C)N(C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000367027531 446472656 /nfs/dbraw/zinc/47/26/56/446472656.db2.gz FXVUZORZWQBAJW-MSOLQXFVSA-N 2 2 338.540 1.590 20 0 EDADLP CC(C)N(C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000367027531 446472659 /nfs/dbraw/zinc/47/26/59/446472659.db2.gz FXVUZORZWQBAJW-MSOLQXFVSA-N 2 2 338.540 1.590 20 0 EDADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370845381 446477117 /nfs/dbraw/zinc/47/71/17/446477117.db2.gz URHRLBZITVRYGS-OAHLLOKOSA-N 2 2 347.507 1.948 20 0 EDADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370845381 446477121 /nfs/dbraw/zinc/47/71/21/446477121.db2.gz URHRLBZITVRYGS-OAHLLOKOSA-N 2 2 347.507 1.948 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCC[C@]34NC(=O)N(C)C4=O)n2c1 ZINC000370894539 446502788 /nfs/dbraw/zinc/50/27/88/446502788.db2.gz BXZWPNDHFNPTKA-ACJLOTCBSA-N 2 2 341.415 1.453 20 0 EDADLP CCC[NH2+]CCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000418480055 446559496 /nfs/dbraw/zinc/55/94/96/446559496.db2.gz QBMJJTMREFKEBE-UHFFFAOYSA-N 2 2 325.482 1.360 20 0 EDADLP CCC[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000418480055 446559502 /nfs/dbraw/zinc/55/95/02/446559502.db2.gz QBMJJTMREFKEBE-UHFFFAOYSA-N 2 2 325.482 1.360 20 0 EDADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000420386366 446560216 /nfs/dbraw/zinc/56/02/16/446560216.db2.gz IFYFZHCICBVNPR-UHFFFAOYSA-N 2 2 329.448 1.089 20 0 EDADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1ccccc1Cn1cccn1 ZINC000420386366 446560217 /nfs/dbraw/zinc/56/02/17/446560217.db2.gz IFYFZHCICBVNPR-UHFFFAOYSA-N 2 2 329.448 1.089 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000420388746 446562671 /nfs/dbraw/zinc/56/26/71/446562671.db2.gz MNLZMLDQPLQONT-ZDUSSCGKSA-N 2 2 325.428 1.723 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000420388746 446562677 /nfs/dbraw/zinc/56/26/77/446562677.db2.gz MNLZMLDQPLQONT-ZDUSSCGKSA-N 2 2 325.428 1.723 20 0 EDADLP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418372549 446519676 /nfs/dbraw/zinc/51/96/76/446519676.db2.gz AOWMQUAAFZAMSK-KURKYZTESA-N 2 2 344.459 1.033 20 0 EDADLP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418372549 446519684 /nfs/dbraw/zinc/51/96/84/446519684.db2.gz AOWMQUAAFZAMSK-KURKYZTESA-N 2 2 344.459 1.033 20 0 EDADLP COC(=O)c1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000411404773 446522897 /nfs/dbraw/zinc/52/28/97/446522897.db2.gz ATQDURBABFXNPI-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP COC(=O)c1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000411404773 446522903 /nfs/dbraw/zinc/52/29/03/446522903.db2.gz ATQDURBABFXNPI-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP COC(=O)c1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cs1 ZINC000411404773 446522911 /nfs/dbraw/zinc/52/29/11/446522911.db2.gz ATQDURBABFXNPI-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP COC(=O)c1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cs1 ZINC000411404773 446522917 /nfs/dbraw/zinc/52/29/17/446522917.db2.gz ATQDURBABFXNPI-UHFFFAOYSA-N 2 2 339.505 1.993 20 0 EDADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCC[NH2+]1 ZINC000423423894 446530121 /nfs/dbraw/zinc/53/01/21/446530121.db2.gz LIYZQYJXPYRPJN-BLLLJJGKSA-N 2 2 344.452 1.648 20 0 EDADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420354007 446533552 /nfs/dbraw/zinc/53/35/52/446533552.db2.gz NVIFKTAGHIWYDB-MNOVXSKESA-N 2 2 329.828 1.235 20 0 EDADLP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420354007 446533558 /nfs/dbraw/zinc/53/35/58/446533558.db2.gz NVIFKTAGHIWYDB-MNOVXSKESA-N 2 2 329.828 1.235 20 0 EDADLP COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420353547 446533644 /nfs/dbraw/zinc/53/36/44/446533644.db2.gz AOJZVQIANMNAIL-KRWDZBQOSA-N 2 2 340.489 1.966 20 0 EDADLP Cc1nnc([C@@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)[nH]1 ZINC000420354753 446533707 /nfs/dbraw/zinc/53/37/07/446533707.db2.gz DFUXLVIBJMCZBX-IKGGRYGDSA-N 2 2 329.448 1.223 20 0 EDADLP Cc1nnc([C@@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)[nH]1 ZINC000420354753 446533714 /nfs/dbraw/zinc/53/37/14/446533714.db2.gz DFUXLVIBJMCZBX-IKGGRYGDSA-N 2 2 329.448 1.223 20 0 EDADLP Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000420354753 446533718 /nfs/dbraw/zinc/53/37/18/446533718.db2.gz DFUXLVIBJMCZBX-IKGGRYGDSA-N 2 2 329.448 1.223 20 0 EDADLP Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000420354753 446533722 /nfs/dbraw/zinc/53/37/22/446533722.db2.gz DFUXLVIBJMCZBX-IKGGRYGDSA-N 2 2 329.448 1.223 20 0 EDADLP C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C[C@H](O)C[NH3+] ZINC000420356162 446535691 /nfs/dbraw/zinc/53/56/91/446535691.db2.gz QQMKCEVSAGLGLC-MSOLQXFVSA-N 2 2 347.503 1.899 20 0 EDADLP C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1)C[C@H](O)C[NH3+] ZINC000420356162 446535697 /nfs/dbraw/zinc/53/56/97/446535697.db2.gz QQMKCEVSAGLGLC-MSOLQXFVSA-N 2 2 347.503 1.899 20 0 EDADLP CCOC(CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000375040535 446536123 /nfs/dbraw/zinc/53/61/23/446536123.db2.gz GDTGXMRQTCTUDZ-CQSZACIVSA-N 2 2 327.469 1.060 20 0 EDADLP CCOC(CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)OCC ZINC000375040535 446536132 /nfs/dbraw/zinc/53/61/32/446536132.db2.gz GDTGXMRQTCTUDZ-CQSZACIVSA-N 2 2 327.469 1.060 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cscn1 ZINC000423439893 446537460 /nfs/dbraw/zinc/53/74/60/446537460.db2.gz VNXWWMMUUKEWNK-GOEBONIOSA-N 2 2 330.457 1.924 20 0 EDADLP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cscn1 ZINC000423439893 446537465 /nfs/dbraw/zinc/53/74/65/446537465.db2.gz VNXWWMMUUKEWNK-GOEBONIOSA-N 2 2 330.457 1.924 20 0 EDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NCCOc1cccc(Cl)c1 ZINC000420356860 446538503 /nfs/dbraw/zinc/53/85/03/446538503.db2.gz GWJUERAOFCBJGO-AWEZNQCLSA-N 2 2 327.856 1.798 20 0 EDADLP Cc1cccc(C)c1OCCNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420366789 446545892 /nfs/dbraw/zinc/54/58/92/446545892.db2.gz MINOPXYGRNNVEC-QANKJYHBSA-N 2 2 333.476 1.775 20 0 EDADLP CC(C)c1nc(C2([NH2+]CCC(=O)N3CC[NH2+]CC3)CCCC2)no1 ZINC000420368786 446548325 /nfs/dbraw/zinc/54/83/25/446548325.db2.gz IILVLXVFPVUCFK-UHFFFAOYSA-N 2 2 335.452 1.374 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000420394073 446568028 /nfs/dbraw/zinc/56/80/28/446568028.db2.gz CLWFALGNDJMGAK-UKRRQHHQSA-N 2 2 332.448 1.868 20 0 EDADLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000420394073 446568033 /nfs/dbraw/zinc/56/80/33/446568033.db2.gz CLWFALGNDJMGAK-UKRRQHHQSA-N 2 2 332.448 1.868 20 0 EDADLP c1cc(C[NH+]2CCC([NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)CC2)ccn1 ZINC000453351504 446554770 /nfs/dbraw/zinc/55/47/70/446554770.db2.gz QRBVJLIUXCCVDT-KDURUIRLSA-N 2 2 330.476 1.499 20 0 EDADLP C[NH2+][C@@H](C)CNC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000418610389 446614727 /nfs/dbraw/zinc/61/47/27/446614727.db2.gz AABHVNDNOVETNX-GJZGRUSLSA-N 2 2 347.463 1.452 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000420393315 446569040 /nfs/dbraw/zinc/56/90/40/446569040.db2.gz XKUGPEVQNUQESC-KGLIPLIRSA-N 2 2 337.464 1.811 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000420393315 446569044 /nfs/dbraw/zinc/56/90/44/446569044.db2.gz XKUGPEVQNUQESC-KGLIPLIRSA-N 2 2 337.464 1.811 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420395266 446570281 /nfs/dbraw/zinc/57/02/81/446570281.db2.gz SUSGNXGTWVZQJP-RRFJBIMHSA-N 2 2 335.448 1.311 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420395266 446570285 /nfs/dbraw/zinc/57/02/85/446570285.db2.gz SUSGNXGTWVZQJP-RRFJBIMHSA-N 2 2 335.448 1.311 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC[N@@H+]1C ZINC000433509679 446584794 /nfs/dbraw/zinc/58/47/94/446584794.db2.gz NOZWBIKUNHAPDN-KQTLUZQSSA-N 2 2 335.452 1.422 20 0 EDADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCC[N@H+]1C ZINC000433509679 446584798 /nfs/dbraw/zinc/58/47/98/446584798.db2.gz NOZWBIKUNHAPDN-KQTLUZQSSA-N 2 2 335.452 1.422 20 0 EDADLP O=C(NCCCC[NH+]1CCOCC1)NCc1c[nH+]c2n1CCCC2 ZINC000375119192 446592994 /nfs/dbraw/zinc/59/29/94/446592994.db2.gz ZSLONFZVGOJIOP-UHFFFAOYSA-N 2 2 335.452 1.131 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000420422482 446597708 /nfs/dbraw/zinc/59/77/08/446597708.db2.gz ZNJCVBQWZBEYEC-KGLIPLIRSA-N 2 2 339.867 1.752 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000420422482 446597714 /nfs/dbraw/zinc/59/77/14/446597714.db2.gz ZNJCVBQWZBEYEC-KGLIPLIRSA-N 2 2 339.867 1.752 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000418698851 446652797 /nfs/dbraw/zinc/65/27/97/446652797.db2.gz DIBFXSJLCLKIRM-WTTBNOFXSA-N 2 2 332.448 1.017 20 0 EDADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000418698851 446652801 /nfs/dbraw/zinc/65/28/01/446652801.db2.gz DIBFXSJLCLKIRM-WTTBNOFXSA-N 2 2 332.448 1.017 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(CO)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368143532 446666041 /nfs/dbraw/zinc/66/60/41/446666041.db2.gz SDVKLLJGNYGGRZ-HNNXBMFYSA-N 2 2 331.460 1.419 20 0 EDADLP C[C@H]1CN(C(=O)c2cccc(CO)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368143532 446666048 /nfs/dbraw/zinc/66/60/48/446666048.db2.gz SDVKLLJGNYGGRZ-HNNXBMFYSA-N 2 2 331.460 1.419 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H](O)CC(C)(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000368144343 446668096 /nfs/dbraw/zinc/66/80/96/446668096.db2.gz UNMUGJSWPWJOSC-WBVHZDCISA-N 2 2 339.524 1.801 20 0 EDADLP C[C@@H]1CN(C(=O)C[C@H](O)CC(C)(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000368144343 446668100 /nfs/dbraw/zinc/66/81/00/446668100.db2.gz UNMUGJSWPWJOSC-WBVHZDCISA-N 2 2 339.524 1.801 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC000371090619 446622901 /nfs/dbraw/zinc/62/29/01/446622901.db2.gz SRAAWJPJWGWHMA-UHFFFAOYSA-N 3 2 347.507 1.586 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CCn3ccnc3)CC2)CC1 ZINC000371090619 446622912 /nfs/dbraw/zinc/62/29/12/446622912.db2.gz SRAAWJPJWGWHMA-UHFFFAOYSA-N 2 2 347.507 1.586 20 0 EDADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418637726 446628037 /nfs/dbraw/zinc/62/80/37/446628037.db2.gz NXLUHJIXRMHWKE-UKRRQHHQSA-N 2 2 338.402 1.417 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)cs1 ZINC000423755227 446685361 /nfs/dbraw/zinc/68/53/61/446685361.db2.gz JHHOAOBINHLHNV-BBRMVZONSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CC2)cs1 ZINC000423755227 446685370 /nfs/dbraw/zinc/68/53/70/446685370.db2.gz JHHOAOBINHLHNV-BBRMVZONSA-N 2 2 336.505 1.874 20 0 EDADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423879353 446738303 /nfs/dbraw/zinc/73/83/03/446738303.db2.gz VFPQGLKSRCIBAM-HQSKLWIPSA-N 2 2 335.492 1.476 20 0 EDADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423879353 446738308 /nfs/dbraw/zinc/73/83/08/446738308.db2.gz VFPQGLKSRCIBAM-HQSKLWIPSA-N 2 2 335.492 1.476 20 0 EDADLP C[C@H]([C@H](C)Nc1nc(N[C@@H]2CCCOC2)cc[nH+]1)[NH+]1CCOCC1 ZINC000435348682 446693478 /nfs/dbraw/zinc/69/34/78/446693478.db2.gz DIYBRUWWQKRXBT-RRFJBIMHSA-N 2 2 335.452 1.589 20 0 EDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000368195182 446700670 /nfs/dbraw/zinc/70/06/70/446700670.db2.gz UYECRMFPXARPTI-HLLBOEOZSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000368195182 446700675 /nfs/dbraw/zinc/70/06/75/446700675.db2.gz UYECRMFPXARPTI-HLLBOEOZSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000368195182 446700682 /nfs/dbraw/zinc/70/06/82/446700682.db2.gz UYECRMFPXARPTI-HLLBOEOZSA-N 2 2 338.496 1.269 20 0 EDADLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000368195182 446700685 /nfs/dbraw/zinc/70/06/85/446700685.db2.gz UYECRMFPXARPTI-HLLBOEOZSA-N 2 2 338.496 1.269 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000371256576 446719020 /nfs/dbraw/zinc/71/90/20/446719020.db2.gz SZWNIHMVHDSAAF-OAHLLOKOSA-N 2 2 337.468 1.289 20 0 EDADLP CCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000423835144 446723242 /nfs/dbraw/zinc/72/32/42/446723242.db2.gz FKFDHXPPTVPRAQ-KRWDZBQOSA-N 2 2 332.448 1.417 20 0 EDADLP COC[C@@H]1C[C@H](O)C[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000411913589 446726932 /nfs/dbraw/zinc/72/69/32/446726932.db2.gz RPRRLUDJDPVUCT-OALUTQOASA-N 2 2 333.476 1.280 20 0 EDADLP COC[C@@H]1C[C@H](O)C[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000411913589 446726934 /nfs/dbraw/zinc/72/69/34/446726934.db2.gz RPRRLUDJDPVUCT-OALUTQOASA-N 2 2 333.476 1.280 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000371266746 446727385 /nfs/dbraw/zinc/72/73/85/446727385.db2.gz PZRHYNYTTTVLOL-HNNXBMFYSA-N 2 2 345.447 1.789 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000371266746 446727389 /nfs/dbraw/zinc/72/73/89/446727389.db2.gz PZRHYNYTTTVLOL-HNNXBMFYSA-N 2 2 345.447 1.789 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H](O)c3cccc(F)c3)C2)CC1 ZINC000376804198 446729935 /nfs/dbraw/zinc/72/99/35/446729935.db2.gz KPXMHCGVLABIRK-WMZOPIPTSA-N 2 2 349.450 1.534 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H](O)c3cccc(F)c3)C2)CC1 ZINC000376804198 446729939 /nfs/dbraw/zinc/72/99/39/446729939.db2.gz KPXMHCGVLABIRK-WMZOPIPTSA-N 2 2 349.450 1.534 20 0 EDADLP COC(=O)[C@H]1CN(C)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000411916422 446732958 /nfs/dbraw/zinc/73/29/58/446732958.db2.gz MNOXAUDHNBLABP-KRWDZBQOSA-N 2 2 342.443 1.717 20 0 EDADLP COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000411916422 446732959 /nfs/dbraw/zinc/73/29/59/446732959.db2.gz MNOXAUDHNBLABP-KRWDZBQOSA-N 2 2 342.443 1.717 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000423753652 446683969 /nfs/dbraw/zinc/68/39/69/446683969.db2.gz XKAPCABQLYWHIB-MRXNPFEDSA-N 2 2 330.432 1.051 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000423753652 446683974 /nfs/dbraw/zinc/68/39/74/446683974.db2.gz XKAPCABQLYWHIB-MRXNPFEDSA-N 2 2 330.432 1.051 20 0 EDADLP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423917415 446767028 /nfs/dbraw/zinc/76/70/28/446767028.db2.gz OBYCIMLKJHFABP-IHRRRGAJSA-N 2 2 341.452 1.155 20 0 EDADLP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423917415 446767037 /nfs/dbraw/zinc/76/70/37/446767037.db2.gz OBYCIMLKJHFABP-IHRRRGAJSA-N 2 2 341.452 1.155 20 0 EDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000423920107 446768621 /nfs/dbraw/zinc/76/86/21/446768621.db2.gz VDFJYHSNQBZBTC-KRWDZBQOSA-N 2 2 339.443 1.220 20 0 EDADLP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000376886858 446778345 /nfs/dbraw/zinc/77/83/45/446778345.db2.gz JRYIFUUYKMTBIU-LPHOPBHVSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC000376886858 446778347 /nfs/dbraw/zinc/77/83/47/446778347.db2.gz JRYIFUUYKMTBIU-LPHOPBHVSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376886858 446778350 /nfs/dbraw/zinc/77/83/50/446778350.db2.gz JRYIFUUYKMTBIU-LPHOPBHVSA-N 2 2 349.519 1.963 20 0 EDADLP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000376886858 446778355 /nfs/dbraw/zinc/77/83/55/446778355.db2.gz JRYIFUUYKMTBIU-LPHOPBHVSA-N 2 2 349.519 1.963 20 0 EDADLP Cc1cc(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc[nH+]1 ZINC000368325397 446787413 /nfs/dbraw/zinc/78/74/13/446787413.db2.gz ADQFDNOBJWENJN-UHFFFAOYSA-N 2 2 345.491 1.693 20 0 EDADLP COc1ccc([C@H](C)C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371424102 446846597 /nfs/dbraw/zinc/84/65/97/446846597.db2.gz GCKSNRSYEXHSFI-YLJYHZDGSA-N 2 2 347.503 1.747 20 0 EDADLP COc1ccc([C@H](C)C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371424102 446846601 /nfs/dbraw/zinc/84/66/01/446846601.db2.gz GCKSNRSYEXHSFI-YLJYHZDGSA-N 2 2 347.503 1.747 20 0 EDADLP CCCCCNC(=O)[C@H](C)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371425047 446847524 /nfs/dbraw/zinc/84/75/24/446847524.db2.gz QSXADLKBLFBKFR-FUHWJXTLSA-N 2 2 338.540 1.782 20 0 EDADLP CCCCCNC(=O)[C@H](C)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371425047 446847531 /nfs/dbraw/zinc/84/75/31/446847531.db2.gz QSXADLKBLFBKFR-FUHWJXTLSA-N 2 2 338.540 1.782 20 0 EDADLP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1(C)C ZINC000375505599 446856930 /nfs/dbraw/zinc/85/69/30/446856930.db2.gz HNOJLASYDSPPIR-JJAZEVLHSA-N 2 2 334.464 1.922 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000419003739 446860812 /nfs/dbraw/zinc/86/08/12/446860812.db2.gz NXOFFVPMRITXOF-WBVHZDCISA-N 2 2 346.475 1.215 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccccc1 ZINC000419003739 446860814 /nfs/dbraw/zinc/86/08/14/446860814.db2.gz NXOFFVPMRITXOF-WBVHZDCISA-N 2 2 346.475 1.215 20 0 EDADLP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000368443851 446867194 /nfs/dbraw/zinc/86/71/94/446867194.db2.gz WHSOGBBBYKVHMW-MSOLQXFVSA-N 2 2 330.407 1.964 20 0 EDADLP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000368443851 446867198 /nfs/dbraw/zinc/86/71/98/446867198.db2.gz WHSOGBBBYKVHMW-MSOLQXFVSA-N 2 2 330.407 1.964 20 0 EDADLP Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000368454933 446873798 /nfs/dbraw/zinc/87/37/98/446873798.db2.gz MUQCQZCHBUODFH-OAHLLOKOSA-N 2 2 335.415 2.019 20 0 EDADLP Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000368454933 446873800 /nfs/dbraw/zinc/87/38/00/446873800.db2.gz MUQCQZCHBUODFH-OAHLLOKOSA-N 2 2 335.415 2.019 20 0 EDADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920171 446889442 /nfs/dbraw/zinc/88/94/42/446889442.db2.gz JHENFCFWUQUEIM-LJQANCHMSA-N 2 2 345.487 1.865 20 0 EDADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420920171 446889448 /nfs/dbraw/zinc/88/94/48/446889448.db2.gz JHENFCFWUQUEIM-LJQANCHMSA-N 2 2 345.487 1.865 20 0 EDADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000454543090 446906743 /nfs/dbraw/zinc/90/67/43/446906743.db2.gz XJRQLXADGMPAHB-AWEZNQCLSA-N 2 2 330.436 2.469 20 0 EDADLP C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000454542784 446906831 /nfs/dbraw/zinc/90/68/31/446906831.db2.gz LLTGCCTWXPGUGT-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000454542784 446906834 /nfs/dbraw/zinc/90/68/34/446906834.db2.gz LLTGCCTWXPGUGT-GJZGRUSLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000368509792 446908479 /nfs/dbraw/zinc/90/84/79/446908479.db2.gz DPHWWRUMKFJMCK-IBGZPJMESA-N 2 2 331.460 1.525 20 0 EDADLP CC(=O)N1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C1 ZINC000420950464 446922692 /nfs/dbraw/zinc/92/26/92/446922692.db2.gz RFAIYGYLSNUMIF-UHFFFAOYSA-N 2 2 345.487 1.962 20 0 EDADLP CC(=O)N1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C1 ZINC000420950464 446922705 /nfs/dbraw/zinc/92/27/05/446922705.db2.gz RFAIYGYLSNUMIF-UHFFFAOYSA-N 2 2 345.487 1.962 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442756763 446954322 /nfs/dbraw/zinc/95/43/22/446954322.db2.gz KRURTPNSYDJNRH-SJPCQFCGSA-N 2 2 330.432 1.798 20 0 EDADLP CC(=O)Nc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442756763 446954326 /nfs/dbraw/zinc/95/43/26/446954326.db2.gz KRURTPNSYDJNRH-SJPCQFCGSA-N 2 2 330.432 1.798 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442774868 446963944 /nfs/dbraw/zinc/96/39/44/446963944.db2.gz FLYLYYIETMCQLU-SJPCQFCGSA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(CN(C)C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442774868 446963948 /nfs/dbraw/zinc/96/39/48/446963948.db2.gz FLYLYYIETMCQLU-SJPCQFCGSA-N 2 2 331.460 1.868 20 0 EDADLP CC[C@H](COC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372173042 447021933 /nfs/dbraw/zinc/02/19/33/447021933.db2.gz NSCOWJQMNKAWEM-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP CC[C@H](COC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372173042 447021936 /nfs/dbraw/zinc/02/19/36/447021936.db2.gz NSCOWJQMNKAWEM-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3C[C@@H](O)CC[C@H]3C)CC2)c1 ZINC000421032859 447001935 /nfs/dbraw/zinc/00/19/35/447001935.db2.gz ZKNUGOVGMYUMAJ-MJGOQNOKSA-N 2 2 345.487 1.484 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3C[C@@H](O)CC[C@H]3C)CC2)c1 ZINC000421032859 447001939 /nfs/dbraw/zinc/00/19/39/447001939.db2.gz ZKNUGOVGMYUMAJ-MJGOQNOKSA-N 2 2 345.487 1.484 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCc3ccc(O)cc3)C2)CC1 ZINC000368699852 447049796 /nfs/dbraw/zinc/04/97/96/447049796.db2.gz JWQQGAFTMINOJX-INIZCTEOSA-N 2 2 331.460 1.610 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCc3ccc(O)cc3)C2)CC1 ZINC000368699852 447049798 /nfs/dbraw/zinc/04/97/98/447049798.db2.gz JWQQGAFTMINOJX-INIZCTEOSA-N 2 2 331.460 1.610 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@@H+]1CC(C)(C)O ZINC000377301510 447050176 /nfs/dbraw/zinc/05/01/76/447050176.db2.gz SAGKOZLTWKCHOQ-CQSZACIVSA-N 2 2 349.479 1.206 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@H+]1CC(C)(C)O ZINC000377301510 447050183 /nfs/dbraw/zinc/05/01/83/447050183.db2.gz SAGKOZLTWKCHOQ-CQSZACIVSA-N 2 2 349.479 1.206 20 0 EDADLP C[C@@H](O)CNc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)nc[nH+]1 ZINC000413214092 447072020 /nfs/dbraw/zinc/07/20/20/447072020.db2.gz LALIBSARXODKCH-GFCCVEGCSA-N 2 2 333.411 2.082 20 0 EDADLP C[C@@H](O)CNc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)[nH+]cn1 ZINC000413214092 447072024 /nfs/dbraw/zinc/07/20/24/447072024.db2.gz LALIBSARXODKCH-GFCCVEGCSA-N 2 2 333.411 2.082 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(F)F ZINC000455258165 447100488 /nfs/dbraw/zinc/10/04/88/447100488.db2.gz HHEBGCKKIXSTIG-RDGKXADDSA-N 2 2 344.450 1.983 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)(F)F ZINC000455258165 447100496 /nfs/dbraw/zinc/10/04/96/447100496.db2.gz HHEBGCKKIXSTIG-RDGKXADDSA-N 2 2 344.450 1.983 20 0 EDADLP COC(=O)CCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368795715 447112497 /nfs/dbraw/zinc/11/24/97/447112497.db2.gz GQFBHTJZABEGEN-CQSZACIVSA-N 2 2 325.453 1.005 20 0 EDADLP COC(=O)CCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368795715 447112502 /nfs/dbraw/zinc/11/25/02/447112502.db2.gz GQFBHTJZABEGEN-CQSZACIVSA-N 2 2 325.453 1.005 20 0 EDADLP CN(C)c1nc(N2CC[NH+](CCO[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000444651200 447114744 /nfs/dbraw/zinc/11/47/44/447114744.db2.gz OPEUKMFZCLGVJI-INIZCTEOSA-N 2 2 335.452 1.208 20 0 EDADLP C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425254959 447083330 /nfs/dbraw/zinc/08/33/30/447083330.db2.gz MCHYYBNBKRAOLA-CRAIPNDOSA-N 2 2 328.416 1.115 20 0 EDADLP C[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000425254959 447083332 /nfs/dbraw/zinc/08/33/32/447083332.db2.gz MCHYYBNBKRAOLA-CRAIPNDOSA-N 2 2 328.416 1.115 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1cccc(F)c1 ZINC000444168889 447085186 /nfs/dbraw/zinc/08/51/86/447085186.db2.gz OTKAWKGYFMYSRT-IIDMSEBBSA-N 2 2 328.391 1.764 20 0 EDADLP CCOC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+]([C@@H](C)C(=O)OCC)C2)CC1 ZINC000368764599 447091151 /nfs/dbraw/zinc/09/11/51/447091151.db2.gz ICDJIIBLIKQPTE-CABCVRRESA-N 2 2 340.464 1.678 20 0 EDADLP CCOC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+]([C@@H](C)C(=O)OCC)C2)CC1 ZINC000368764599 447091154 /nfs/dbraw/zinc/09/11/54/447091154.db2.gz ICDJIIBLIKQPTE-CABCVRRESA-N 2 2 340.464 1.678 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCn2cncn2)[C@@H]1c1cnn(C)c1 ZINC000377368714 447093185 /nfs/dbraw/zinc/09/31/85/447093185.db2.gz KSMRFFFYYSWCFE-DOTOQJQBSA-N 2 2 331.468 1.417 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCn2cncn2)[C@@H]1c1cnn(C)c1 ZINC000377368714 447093191 /nfs/dbraw/zinc/09/31/91/447093191.db2.gz KSMRFFFYYSWCFE-DOTOQJQBSA-N 2 2 331.468 1.417 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCn2cncn2)[C@@H]1c1cnn(C)c1 ZINC000377368714 447093194 /nfs/dbraw/zinc/09/31/94/447093194.db2.gz KSMRFFFYYSWCFE-DOTOQJQBSA-N 2 2 331.468 1.417 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCn2cncn2)[C@@H]1c1cnn(C)c1 ZINC000377368714 447093202 /nfs/dbraw/zinc/09/32/02/447093202.db2.gz KSMRFFFYYSWCFE-DOTOQJQBSA-N 2 2 331.468 1.417 20 0 EDADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)n1C ZINC000425384334 447136828 /nfs/dbraw/zinc/13/68/28/447136828.db2.gz QFESKMJTCPATRA-CQSZACIVSA-N 2 2 345.447 1.721 20 0 EDADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)n1C ZINC000425384334 447136834 /nfs/dbraw/zinc/13/68/34/447136834.db2.gz QFESKMJTCPATRA-CQSZACIVSA-N 2 2 345.447 1.721 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368847329 447157428 /nfs/dbraw/zinc/15/74/28/447157428.db2.gz XGNNUPGCAYIDOH-HZPDHXFCSA-N 2 2 333.480 1.282 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368847329 447157435 /nfs/dbraw/zinc/15/74/35/447157435.db2.gz XGNNUPGCAYIDOH-HZPDHXFCSA-N 2 2 333.480 1.282 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000375904452 447134695 /nfs/dbraw/zinc/13/46/95/447134695.db2.gz KCBWTOWFPOUGQJ-GOSISDBHSA-N 2 2 330.476 1.725 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3)C2)CC1 ZINC000375904452 447134703 /nfs/dbraw/zinc/13/47/03/447134703.db2.gz KCBWTOWFPOUGQJ-GOSISDBHSA-N 2 2 330.476 1.725 20 0 EDADLP c1cn([C@@H]2CCC[NH+](CCC[N@@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425508874 447201381 /nfs/dbraw/zinc/20/13/81/447201381.db2.gz NWWNBYKLXWXNMP-CALCHBBNSA-N 2 2 344.467 1.234 20 0 EDADLP c1cn([C@@H]2CCC[NH+](CCC[N@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425508874 447201384 /nfs/dbraw/zinc/20/13/84/447201384.db2.gz NWWNBYKLXWXNMP-CALCHBBNSA-N 2 2 344.467 1.234 20 0 EDADLP c1cn([C@@H]2CCC[N@@H+](CCC[NH+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425508874 447201389 /nfs/dbraw/zinc/20/13/89/447201389.db2.gz NWWNBYKLXWXNMP-CALCHBBNSA-N 2 2 344.467 1.234 20 0 EDADLP c1cn([C@@H]2CCC[N@H+](CCC[NH+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425508874 447201393 /nfs/dbraw/zinc/20/13/93/447201393.db2.gz NWWNBYKLXWXNMP-CALCHBBNSA-N 2 2 344.467 1.234 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C34CCC[NH+]3CCC4)CC2)cn1 ZINC000377616885 447246611 /nfs/dbraw/zinc/24/66/11/447246611.db2.gz DOKCBIHHFJULOP-UHFFFAOYSA-N 2 2 345.491 1.566 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)C34CCC[NH+]3CCC4)CC2)cn1 ZINC000377616885 447246616 /nfs/dbraw/zinc/24/66/16/447246616.db2.gz DOKCBIHHFJULOP-UHFFFAOYSA-N 2 2 345.491 1.566 20 0 EDADLP C[C@H](C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000372730317 447253167 /nfs/dbraw/zinc/25/31/67/447253167.db2.gz ZBHNDXJPIGZRKA-OAGGEKHMSA-N 2 2 341.521 1.041 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3C[C@H]4OCC[N@H+](C)[C@H]4C3)ccc21 ZINC000455868690 447245943 /nfs/dbraw/zinc/24/59/43/447245943.db2.gz VWKAQZWKMMUBJQ-OKZBNKHCSA-N 2 2 344.459 1.782 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)ccc21 ZINC000455868690 447245947 /nfs/dbraw/zinc/24/59/47/447245947.db2.gz VWKAQZWKMMUBJQ-OKZBNKHCSA-N 2 2 344.459 1.782 20 0 EDADLP Cc1cccc(C)c1OCC[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000369051479 447290275 /nfs/dbraw/zinc/29/02/75/447290275.db2.gz WNBBYCWHKBUFIG-LJQANCHMSA-N 2 2 347.503 1.630 20 0 EDADLP Cc1cccc(C)c1OCC[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000369051479 447290278 /nfs/dbraw/zinc/29/02/78/447290278.db2.gz WNBBYCWHKBUFIG-LJQANCHMSA-N 2 2 347.503 1.630 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000377633824 447258710 /nfs/dbraw/zinc/25/87/10/447258710.db2.gz MEXTXFDNMGAMTA-INIZCTEOSA-N 2 2 332.448 1.407 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000377633824 447258717 /nfs/dbraw/zinc/25/87/17/447258717.db2.gz MEXTXFDNMGAMTA-INIZCTEOSA-N 2 2 332.448 1.407 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000377643396 447267691 /nfs/dbraw/zinc/26/76/91/447267691.db2.gz CZGJFFSFIABZMM-ZDUSSCGKSA-N 2 2 347.488 1.665 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000377643396 447267695 /nfs/dbraw/zinc/26/76/95/447267695.db2.gz CZGJFFSFIABZMM-ZDUSSCGKSA-N 2 2 347.488 1.665 20 0 EDADLP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000415516111 447490580 /nfs/dbraw/zinc/49/05/80/447490580.db2.gz DXQFUTKDOYFYII-UHFFFAOYSA-N 2 2 342.399 1.928 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C(=O)OC)co2)C1 ZINC000450452528 447492125 /nfs/dbraw/zinc/49/21/25/447492125.db2.gz JVPYDVQCNRUHIX-CYBMUJFWSA-N 2 2 325.409 1.394 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C(=O)OC)co2)C1 ZINC000450452528 447492134 /nfs/dbraw/zinc/49/21/34/447492134.db2.gz JVPYDVQCNRUHIX-CYBMUJFWSA-N 2 2 325.409 1.394 20 0 EDADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000419973128 447523863 /nfs/dbraw/zinc/52/38/63/447523863.db2.gz IVRSAZYUIUNLKX-MRXNPFEDSA-N 2 2 349.479 1.001 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CCO1 ZINC000427766609 447645590 /nfs/dbraw/zinc/64/55/90/447645590.db2.gz YOFPSRSYWXOGOF-QFBILLFUSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CCO1 ZINC000427766609 447645592 /nfs/dbraw/zinc/64/55/92/447645592.db2.gz YOFPSRSYWXOGOF-QFBILLFUSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000427766609 447645600 /nfs/dbraw/zinc/64/56/00/447645600.db2.gz YOFPSRSYWXOGOF-QFBILLFUSA-N 2 2 345.487 1.660 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CCO1 ZINC000427766609 447645606 /nfs/dbraw/zinc/64/56/06/447645606.db2.gz YOFPSRSYWXOGOF-QFBILLFUSA-N 2 2 345.487 1.660 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404300915 447598218 /nfs/dbraw/zinc/59/82/18/447598218.db2.gz ZIQIBUJJNXXLOR-DGCLKSJQSA-N 2 2 339.461 1.923 20 0 EDADLP COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404300915 447598225 /nfs/dbraw/zinc/59/82/25/447598225.db2.gz ZIQIBUJJNXXLOR-DGCLKSJQSA-N 2 2 339.461 1.923 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459170112 447603568 /nfs/dbraw/zinc/60/35/68/447603568.db2.gz WUHLXHJNMKJFSY-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP Cn1cc[nH+]c1CN1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459170112 447603570 /nfs/dbraw/zinc/60/35/70/447603570.db2.gz WUHLXHJNMKJFSY-UHFFFAOYSA-N 2 2 348.495 1.122 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000459252433 447622289 /nfs/dbraw/zinc/62/22/89/447622289.db2.gz GZUAOBDUUIFOPQ-INIZCTEOSA-N 2 2 334.464 1.839 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000459252433 447622294 /nfs/dbraw/zinc/62/22/94/447622294.db2.gz GZUAOBDUUIFOPQ-INIZCTEOSA-N 2 2 334.464 1.839 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000420131361 447622904 /nfs/dbraw/zinc/62/29/04/447622904.db2.gz XFQMNQNBSAIQSE-SJORKVTESA-N 2 2 346.475 1.135 20 0 EDADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000420131361 447622910 /nfs/dbraw/zinc/62/29/10/447622910.db2.gz XFQMNQNBSAIQSE-SJORKVTESA-N 2 2 346.475 1.135 20 0 EDADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000428406640 447697135 /nfs/dbraw/zinc/69/71/35/447697135.db2.gz PEPOTGHDDYISMS-OAHLLOKOSA-N 2 2 345.447 1.753 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CNC(C)(C)C[NH+](C)C)CC1 ZINC000459539786 447700525 /nfs/dbraw/zinc/70/05/25/447700525.db2.gz PTVOMHSOLMXXIX-KRWDZBQOSA-N 2 2 346.519 1.822 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CN(C)C)CC1 ZINC000459539786 447700531 /nfs/dbraw/zinc/70/05/31/447700531.db2.gz PTVOMHSOLMXXIX-KRWDZBQOSA-N 2 2 346.519 1.822 20 0 EDADLP COc1ccc([C@H](NC(=O)N2CC[NH2+]C[C@@H]2C)c2[nH+]ccn2C)cc1 ZINC000416905487 447703635 /nfs/dbraw/zinc/70/36/35/447703635.db2.gz JPTZEBGWJIOAAJ-BBRMVZONSA-N 2 2 343.431 1.521 20 0 EDADLP O[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N(Cc2ccccc2)C1 ZINC000459452588 447670654 /nfs/dbraw/zinc/67/06/54/447670654.db2.gz MFZOBVSUVOYJJF-PMACEKPBSA-N 2 2 329.488 1.838 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422631496 447679240 /nfs/dbraw/zinc/67/92/40/447679240.db2.gz FPNWOFXJRLTNAZ-IPYPFGDCSA-N 2 2 332.448 1.889 20 0 EDADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422631496 447679246 /nfs/dbraw/zinc/67/92/46/447679246.db2.gz FPNWOFXJRLTNAZ-IPYPFGDCSA-N 2 2 332.448 1.889 20 0 EDADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000422634131 447680614 /nfs/dbraw/zinc/68/06/14/447680614.db2.gz JCZURNODTXJYBQ-YCPHGPKFSA-N 2 2 346.475 1.632 20 0 EDADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H]1C[NH3+] ZINC000422634131 447680619 /nfs/dbraw/zinc/68/06/19/447680619.db2.gz JCZURNODTXJYBQ-YCPHGPKFSA-N 2 2 346.475 1.632 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422640398 447684284 /nfs/dbraw/zinc/68/42/84/447684284.db2.gz VKHYFHAEQOPYFZ-NFAWXSAZSA-N 2 2 333.432 1.717 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422640398 447684286 /nfs/dbraw/zinc/68/42/86/447684286.db2.gz VKHYFHAEQOPYFZ-NFAWXSAZSA-N 2 2 333.432 1.717 20 0 EDADLP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422833931 447763758 /nfs/dbraw/zinc/76/37/58/447763758.db2.gz ZESWQGJRAOFXJM-OALUTQOASA-N 3 2 333.476 1.484 20 0 EDADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416945058 447719586 /nfs/dbraw/zinc/71/95/86/447719586.db2.gz VWWDNIGUEANJOR-ZBFHGGJFSA-N 2 2 331.464 1.951 20 0 EDADLP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714737 447725191 /nfs/dbraw/zinc/72/51/91/447725191.db2.gz LKTVEVJDEAWHFE-GIVPXCGWSA-N 3 2 343.515 1.908 20 0 EDADLP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422714737 447725197 /nfs/dbraw/zinc/72/51/97/447725197.db2.gz LKTVEVJDEAWHFE-GIVPXCGWSA-N 3 2 343.515 1.908 20 0 EDADLP CN(C)[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000422743122 447736306 /nfs/dbraw/zinc/73/63/06/447736306.db2.gz HYLOINHRBITGJI-JFIYKMOQSA-N 2 2 339.430 1.924 20 0 EDADLP C[C@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[C@@H]1[NH3+] ZINC000417266951 447739033 /nfs/dbraw/zinc/73/90/33/447739033.db2.gz FZYMKUPKRQHVRJ-WFASDCNBSA-N 2 2 331.395 1.890 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000422757507 447741847 /nfs/dbraw/zinc/74/18/47/447741847.db2.gz DFEYLYVKVWLAFI-DZGCQCFKSA-N 2 2 325.478 1.730 20 0 EDADLP Cn1nccc1[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000459708467 447746269 /nfs/dbraw/zinc/74/62/69/447746269.db2.gz JWFBRMMBWFZLAD-SFHVURJKSA-N 2 2 346.450 1.889 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000422813682 447757097 /nfs/dbraw/zinc/75/70/97/447757097.db2.gz YLTMWYQFJWSWNY-ROUUACIJSA-N 2 2 331.460 1.318 20 0 EDADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000422813682 447757098 /nfs/dbraw/zinc/75/70/98/447757098.db2.gz YLTMWYQFJWSWNY-ROUUACIJSA-N 2 2 331.460 1.318 20 0 EDADLP CCOc1c(OC)cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1OC ZINC000422840240 447765960 /nfs/dbraw/zinc/76/59/60/447765960.db2.gz SKFADPOZTSITIN-HIFRSBDPSA-N 2 2 338.448 1.959 20 0 EDADLP C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000458310919 447766755 /nfs/dbraw/zinc/76/67/55/447766755.db2.gz LKRNRPLTGLEGBN-CABCVRRESA-N 2 2 326.485 1.269 20 0 EDADLP O=C1OCC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN12 ZINC000496417413 447774757 /nfs/dbraw/zinc/77/47/57/447774757.db2.gz LJMBNBOEBALNOS-GOSISDBHSA-N 2 2 345.443 1.545 20 0 EDADLP O=C1OCC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCN12 ZINC000496417413 447774758 /nfs/dbraw/zinc/77/47/58/447774758.db2.gz LJMBNBOEBALNOS-GOSISDBHSA-N 2 2 345.443 1.545 20 0 EDADLP Cc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)n(-c2ccc(F)cc2)n1 ZINC000430549627 447775780 /nfs/dbraw/zinc/77/57/80/447775780.db2.gz FCVPDXNPGOMBLD-GOSISDBHSA-N 2 2 345.422 1.975 20 0 EDADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430553385 447776574 /nfs/dbraw/zinc/77/65/74/447776574.db2.gz LJAPVCFSPWWALT-UHFFFAOYSA-N 2 2 340.512 1.009 20 0 EDADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430553385 447776579 /nfs/dbraw/zinc/77/65/79/447776579.db2.gz LJAPVCFSPWWALT-UHFFFAOYSA-N 2 2 340.512 1.009 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000430558377 447778211 /nfs/dbraw/zinc/77/82/11/447778211.db2.gz AFHFLHLGXNMZJW-QGZVFWFLSA-N 3 2 336.505 1.109 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CC1 ZINC000430558376 447779069 /nfs/dbraw/zinc/77/90/69/447779069.db2.gz AFHFLHLGXNMZJW-KRWDZBQOSA-N 3 2 336.505 1.109 20 0 EDADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430578285 447780371 /nfs/dbraw/zinc/78/03/71/447780371.db2.gz AQFWTMUOGMIMGF-QGZVFWFLSA-N 2 2 341.402 1.963 20 0 EDADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000422956938 447780902 /nfs/dbraw/zinc/78/09/02/447780902.db2.gz ROOQVUSEIIJKKE-HOCLYGCPSA-N 2 2 339.386 1.051 20 0 EDADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000430792647 447785855 /nfs/dbraw/zinc/78/58/55/447785855.db2.gz SLTFKFYQXJUBAV-KRWDZBQOSA-N 2 2 335.448 1.264 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000430930420 447788154 /nfs/dbraw/zinc/78/81/54/447788154.db2.gz ANTDQZVRVKBHEL-YPMHNXCESA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000430930420 447788157 /nfs/dbraw/zinc/78/81/57/447788157.db2.gz ANTDQZVRVKBHEL-YPMHNXCESA-N 2 2 337.420 1.320 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2COC(C)C)C1 ZINC000430969827 447788819 /nfs/dbraw/zinc/78/88/19/447788819.db2.gz GWSVKYHXQVPHMA-INIZCTEOSA-N 2 2 333.476 1.769 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2COC(C)C)C1 ZINC000430969827 447788822 /nfs/dbraw/zinc/78/88/22/447788822.db2.gz GWSVKYHXQVPHMA-INIZCTEOSA-N 2 2 333.476 1.769 20 0 EDADLP COCCCOc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423000675 447790175 /nfs/dbraw/zinc/79/01/75/447790175.db2.gz HCOAZRPNFYCFRO-MOPGFXCFSA-N 2 2 334.460 1.959 20 0 EDADLP c1cn2c([nH+]1)C[C@@H](Nc1[nH+]cnc3c1cnn3-c1ncccn1)CC2 ZINC000487499268 447833911 /nfs/dbraw/zinc/83/39/11/447833911.db2.gz GTHYSHVVQJFEMC-NSHDSACASA-N 2 2 333.359 1.229 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000487940334 447838383 /nfs/dbraw/zinc/83/83/83/447838383.db2.gz GEFMLWFDQLZQLC-XHSDSOJGSA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000487940334 447838385 /nfs/dbraw/zinc/83/83/85/447838385.db2.gz GEFMLWFDQLZQLC-XHSDSOJGSA-N 2 2 333.480 1.865 20 0 EDADLP C[C@@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC000523666005 447897392 /nfs/dbraw/zinc/89/73/92/447897392.db2.gz MPVPVPRCNHPEQG-INIZCTEOSA-N 2 2 348.495 1.357 20 0 EDADLP Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000530519018 447904355 /nfs/dbraw/zinc/90/43/55/447904355.db2.gz WRIJQLLSFOTCLO-ZBFHGGJFSA-N 2 2 342.447 1.312 20 0 EDADLP CCC(CC)(CCO)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000570178853 447959974 /nfs/dbraw/zinc/95/99/74/447959974.db2.gz QLXGBLGWUFYMQD-UHFFFAOYSA-N 2 2 337.464 1.455 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CCO1 ZINC000530622929 447928305 /nfs/dbraw/zinc/92/83/05/447928305.db2.gz SOZHCXOHAWOLHP-YJBOKZPZSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CCO1 ZINC000530622929 447928310 /nfs/dbraw/zinc/92/83/10/447928310.db2.gz SOZHCXOHAWOLHP-YJBOKZPZSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCO1 ZINC000530622929 447928313 /nfs/dbraw/zinc/92/83/13/447928313.db2.gz SOZHCXOHAWOLHP-YJBOKZPZSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCO1 ZINC000530622929 447928317 /nfs/dbraw/zinc/92/83/17/447928317.db2.gz SOZHCXOHAWOLHP-YJBOKZPZSA-N 2 2 349.450 1.627 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000530684653 447940010 /nfs/dbraw/zinc/94/00/10/447940010.db2.gz AZFQWNGQCIAZNB-LSDHHAIUSA-N 2 2 334.468 1.110 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(-c3ccco3)cc2F)[C@H](C[NH3+])C1 ZINC000570382818 447999215 /nfs/dbraw/zinc/99/92/15/447999215.db2.gz JWHIGTJPIKHHIK-OAHLLOKOSA-N 2 2 346.406 1.870 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccc(-c3ccco3)cc2F)[C@H](C[NH3+])C1 ZINC000570382818 447999222 /nfs/dbraw/zinc/99/92/22/447999222.db2.gz JWHIGTJPIKHHIK-OAHLLOKOSA-N 2 2 346.406 1.870 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c2[nH+]ccn21 ZINC000570415310 448008969 /nfs/dbraw/zinc/00/89/69/448008969.db2.gz JFIIVSGNZNVHLQ-CABCVRRESA-N 2 2 349.479 1.889 20 0 EDADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000576090754 447968108 /nfs/dbraw/zinc/96/81/08/447968108.db2.gz IDBPXRUZLZZELX-GFCCVEGCSA-N 2 2 336.346 1.445 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000576091714 447968733 /nfs/dbraw/zinc/96/87/33/447968733.db2.gz JKXLJQCEDQLXDH-KRWDZBQOSA-N 2 2 339.443 1.834 20 0 EDADLP CN(C[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000497264587 448018897 /nfs/dbraw/zinc/01/88/97/448018897.db2.gz WQPKQOXQVSHSBM-KGLIPLIRSA-N 2 2 338.452 1.817 20 0 EDADLP CN(C[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(=O)OC(C)(C)C ZINC000497264587 448018905 /nfs/dbraw/zinc/01/89/05/448018905.db2.gz WQPKQOXQVSHSBM-KGLIPLIRSA-N 2 2 338.452 1.817 20 0 EDADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000570901093 448080345 /nfs/dbraw/zinc/08/03/45/448080345.db2.gz LMMFSTRIECZFKP-MRXNPFEDSA-N 2 2 337.508 1.916 20 0 EDADLP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000576587027 448092631 /nfs/dbraw/zinc/09/26/31/448092631.db2.gz DOJNKFCAKUIZDP-APWZRJJASA-N 2 2 342.443 1.622 20 0 EDADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000576473185 448065213 /nfs/dbraw/zinc/06/52/13/448065213.db2.gz NLEMABUNDFTULD-DLBZAZTESA-N 2 2 347.503 1.995 20 0 EDADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc2c(c1)OCCO2 ZINC000571186872 448121787 /nfs/dbraw/zinc/12/17/87/448121787.db2.gz KQTZMTLBRYYGAC-GOEBONIOSA-N 2 2 345.443 1.860 20 0 EDADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc2c(c1)OCCO2 ZINC000571186872 448121791 /nfs/dbraw/zinc/12/17/91/448121791.db2.gz KQTZMTLBRYYGAC-GOEBONIOSA-N 2 2 345.443 1.860 20 0 EDADLP C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000514675794 448184697 /nfs/dbraw/zinc/18/46/97/448184697.db2.gz WYUWSOCSCICZST-HZPDHXFCSA-N 2 2 346.475 1.595 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000497096408 448196492 /nfs/dbraw/zinc/19/64/92/448196492.db2.gz PTQZCLQGYTZKBE-RBSFLKMASA-N 2 2 326.485 1.077 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000497096408 448196496 /nfs/dbraw/zinc/19/64/96/448196496.db2.gz PTQZCLQGYTZKBE-RBSFLKMASA-N 2 2 326.485 1.077 20 0 EDADLP CCn1cc[nH+]c1[C@H](NC(=O)c1ccnc(C[NH3+])c1)C1CCOCC1 ZINC000514788411 448203195 /nfs/dbraw/zinc/20/31/95/448203195.db2.gz KAFVTBZRCUQCPC-MRXNPFEDSA-N 2 2 343.431 1.654 20 0 EDADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000514819845 448209320 /nfs/dbraw/zinc/20/93/20/448209320.db2.gz MEXNIBJBAKEQJY-GUYCJALGSA-N 2 2 337.489 1.643 20 0 EDADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000514819845 448209322 /nfs/dbraw/zinc/20/93/22/448209322.db2.gz MEXNIBJBAKEQJY-GUYCJALGSA-N 2 2 337.489 1.643 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000576897608 448165440 /nfs/dbraw/zinc/16/54/40/448165440.db2.gz MTMDCSABTVPUBX-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000576897608 448165446 /nfs/dbraw/zinc/16/54/46/448165446.db2.gz MTMDCSABTVPUBX-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP CC1(C)COCC[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000576897608 448165451 /nfs/dbraw/zinc/16/54/51/448165451.db2.gz MTMDCSABTVPUBX-INIZCTEOSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000577191036 448233082 /nfs/dbraw/zinc/23/30/82/448233082.db2.gz YPJYQVFMINAEAO-GUYCJALGSA-N 2 2 328.416 1.794 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000577191036 448233103 /nfs/dbraw/zinc/23/31/03/448233103.db2.gz YPJYQVFMINAEAO-GUYCJALGSA-N 2 2 328.416 1.794 20 0 EDADLP COc1cncc(/C=C/C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000492524709 448233602 /nfs/dbraw/zinc/23/36/02/448233602.db2.gz ZBEITGKCCIURIA-SNAWJCMRSA-N 2 2 332.448 1.246 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1OC ZINC000571843400 448215260 /nfs/dbraw/zinc/21/52/60/448215260.db2.gz QSKDSLCYQZMZOQ-ZWKOTPCHSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccccc1OC ZINC000571843400 448215266 /nfs/dbraw/zinc/21/52/66/448215266.db2.gz QSKDSLCYQZMZOQ-ZWKOTPCHSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000571843400 448215271 /nfs/dbraw/zinc/21/52/71/448215271.db2.gz QSKDSLCYQZMZOQ-ZWKOTPCHSA-N 2 2 336.476 1.641 20 0 EDADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000571843400 448215273 /nfs/dbraw/zinc/21/52/73/448215273.db2.gz QSKDSLCYQZMZOQ-ZWKOTPCHSA-N 2 2 336.476 1.641 20 0 EDADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000515166013 448267541 /nfs/dbraw/zinc/26/75/41/448267541.db2.gz SXNOTLOADDKUNB-LSDHHAIUSA-N 2 2 338.448 1.517 20 0 EDADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2c(OC)cccc2OC)C1 ZINC000515166013 448267545 /nfs/dbraw/zinc/26/75/45/448267545.db2.gz SXNOTLOADDKUNB-LSDHHAIUSA-N 2 2 338.448 1.517 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000515221354 448278473 /nfs/dbraw/zinc/27/84/73/448278473.db2.gz IKCIAZIZKWRGFF-HUUCEWRRSA-N 2 2 343.406 1.762 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571999407 448259287 /nfs/dbraw/zinc/25/92/87/448259287.db2.gz DCZNDOOKZUSWMR-CRWXNKLISA-N 2 2 333.423 1.234 20 0 EDADLP CC(C)[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571999407 448259293 /nfs/dbraw/zinc/25/92/93/448259293.db2.gz DCZNDOOKZUSWMR-CRWXNKLISA-N 2 2 333.423 1.234 20 0 EDADLP COc1cc(Br)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1O ZINC000577492649 448312721 /nfs/dbraw/zinc/31/27/21/448312721.db2.gz MFPPSNSZULYDAR-LLVKDONJSA-N 2 2 344.253 1.238 20 0 EDADLP COc1cc(Br)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1O ZINC000577492649 448312724 /nfs/dbraw/zinc/31/27/24/448312724.db2.gz MFPPSNSZULYDAR-LLVKDONJSA-N 2 2 344.253 1.238 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000572240379 448324058 /nfs/dbraw/zinc/32/40/58/448324058.db2.gz FDBPRZSLDKDIMF-LSDHHAIUSA-N 2 2 339.480 1.013 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000572240379 448324066 /nfs/dbraw/zinc/32/40/66/448324066.db2.gz FDBPRZSLDKDIMF-LSDHHAIUSA-N 2 2 339.480 1.013 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000572110004 448288051 /nfs/dbraw/zinc/28/80/51/448288051.db2.gz YHCLRODVFTWHON-PKOBYXMFSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000572110004 448288056 /nfs/dbraw/zinc/28/80/56/448288056.db2.gz YHCLRODVFTWHON-PKOBYXMFSA-N 2 2 348.487 1.920 20 0 EDADLP C[N@@H+]1CCC[C@@H](CCNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000572364369 448358158 /nfs/dbraw/zinc/35/81/58/448358158.db2.gz RIPIKSGIGWELBF-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[N@H+]1CCC[C@@H](CCNC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000572364369 448358165 /nfs/dbraw/zinc/35/81/65/448358165.db2.gz RIPIKSGIGWELBF-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCC[C@@H](CCNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000572364369 448358171 /nfs/dbraw/zinc/35/81/71/448358171.db2.gz RIPIKSGIGWELBF-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCC[C@@H](CCNC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000572364369 448358176 /nfs/dbraw/zinc/35/81/76/448358176.db2.gz RIPIKSGIGWELBF-HNNXBMFYSA-N 2 2 326.485 1.128 20 0 EDADLP CC(C)COc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000572261524 448330884 /nfs/dbraw/zinc/33/08/84/448330884.db2.gz NBUZPEFYNQXPPS-KRWDZBQOSA-N 2 2 348.491 1.548 20 0 EDADLP CC(C)COc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000572261524 448330892 /nfs/dbraw/zinc/33/08/92/448330892.db2.gz NBUZPEFYNQXPPS-KRWDZBQOSA-N 2 2 348.491 1.548 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000572499573 448396881 /nfs/dbraw/zinc/39/68/81/448396881.db2.gz KJPHZUXSWJPEAU-MRXNPFEDSA-N 2 2 336.399 1.585 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000583002983 448399197 /nfs/dbraw/zinc/39/91/97/448399197.db2.gz HHDBXAZJFLKATD-JKSUJKDBSA-N 2 2 335.496 1.497 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000583002983 448399202 /nfs/dbraw/zinc/39/92/02/448399202.db2.gz HHDBXAZJFLKATD-JKSUJKDBSA-N 2 2 335.496 1.497 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000583002983 448399206 /nfs/dbraw/zinc/39/92/06/448399206.db2.gz HHDBXAZJFLKATD-JKSUJKDBSA-N 2 2 335.496 1.497 20 0 EDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000583002983 448399207 /nfs/dbraw/zinc/39/92/07/448399207.db2.gz HHDBXAZJFLKATD-JKSUJKDBSA-N 2 2 335.496 1.497 20 0 EDADLP C[C@H]1CCn2ncc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000572526733 448401217 /nfs/dbraw/zinc/40/12/17/448401217.db2.gz KMMQKTGOGUJMBX-HNNXBMFYSA-N 2 2 347.507 1.563 20 0 EDADLP C[C@H]1CCn2ncc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2C1 ZINC000572526733 448401224 /nfs/dbraw/zinc/40/12/24/448401224.db2.gz KMMQKTGOGUJMBX-HNNXBMFYSA-N 2 2 347.507 1.563 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC[C@@H]2CCc3ccccc3N2)C[C@@H](C)O1 ZINC000577859630 448404688 /nfs/dbraw/zinc/40/46/88/448404688.db2.gz FQBVBUHUUQNFGE-ZAWLATJESA-N 2 2 347.503 1.863 20 0 EDADLP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[NH2+]C[C@](C)(F)C3)cc2)CC1 ZINC000516473782 448426470 /nfs/dbraw/zinc/42/64/70/448426470.db2.gz WPAHNMIXGISLSA-IBGZPJMESA-N 2 2 348.466 1.208 20 0 EDADLP CN1CC[NH+](Cc2ccc(C(=O)N3CC[NH2+]C[C@](C)(F)C3)cc2)CC1 ZINC000516473782 448426474 /nfs/dbraw/zinc/42/64/74/448426474.db2.gz WPAHNMIXGISLSA-IBGZPJMESA-N 2 2 348.466 1.208 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCN4C(=O)CC[C@H]4C3)c2cc1C ZINC000534298029 448442137 /nfs/dbraw/zinc/44/21/37/448442137.db2.gz DSWOBRPDXZHJMR-JKSUJKDBSA-N 2 2 342.443 1.321 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCN4C(=O)CC[C@H]4C3)c2cc1C ZINC000534298029 448442143 /nfs/dbraw/zinc/44/21/43/448442143.db2.gz DSWOBRPDXZHJMR-JKSUJKDBSA-N 2 2 342.443 1.321 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2cccnc2OC2CCCC2)[C@@H](C[NH3+])C1 ZINC000578171245 448476227 /nfs/dbraw/zinc/47/62/27/448476227.db2.gz TUUSWPBMGVOEMV-HNNXBMFYSA-N 2 2 347.463 1.187 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2cccnc2OC2CCCC2)[C@@H](C[NH3+])C1 ZINC000578171245 448476233 /nfs/dbraw/zinc/47/62/33/448476233.db2.gz TUUSWPBMGVOEMV-HNNXBMFYSA-N 2 2 347.463 1.187 20 0 EDADLP COc1ccc(COC[C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000578187766 448480266 /nfs/dbraw/zinc/48/02/66/448480266.db2.gz VGBSWYUKSJDXSS-JKSUJKDBSA-N 2 2 331.416 1.374 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)ccn12 ZINC000516936694 448501767 /nfs/dbraw/zinc/50/17/67/448501767.db2.gz LAPUYZFTNMSGLZ-XJKSGUPXSA-N 2 2 328.416 1.578 20 0 EDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528376982 448505154 /nfs/dbraw/zinc/50/51/54/448505154.db2.gz CURKUNNUWFGRQM-GOSISDBHSA-N 2 2 335.467 1.920 20 0 EDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528376982 448505159 /nfs/dbraw/zinc/50/51/59/448505159.db2.gz CURKUNNUWFGRQM-GOSISDBHSA-N 2 2 335.467 1.920 20 0 EDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)C[C@H]12 ZINC000517019107 448524167 /nfs/dbraw/zinc/52/41/67/448524167.db2.gz SOFATQJTNQLBQZ-OKZBNKHCSA-N 2 2 339.443 1.810 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000584447699 448528109 /nfs/dbraw/zinc/52/81/09/448528109.db2.gz XQHQDYZJXDWBBN-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000584447699 448528110 /nfs/dbraw/zinc/52/81/10/448528110.db2.gz XQHQDYZJXDWBBN-MRXNPFEDSA-N 2 2 338.496 1.271 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000572944513 448501278 /nfs/dbraw/zinc/50/12/78/448501278.db2.gz GFUITBKJOGRAQY-HOTGVXAUSA-N 2 2 331.464 1.297 20 0 EDADLP Cc1ccc([C@H](CNC(=O)CC[NH2+]C2CC2)[NH+]2CCOCC2)cc1 ZINC000578549666 448578328 /nfs/dbraw/zinc/57/83/28/448578328.db2.gz VXHUCLLTJYIEGV-SFHVURJKSA-N 2 2 331.460 1.627 20 0 EDADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000573098179 448543620 /nfs/dbraw/zinc/54/36/20/448543620.db2.gz GVPQBUOMFXHBPN-PKOBYXMFSA-N 2 2 341.459 1.986 20 0 EDADLP CC(C)Oc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000578435829 448544796 /nfs/dbraw/zinc/54/47/96/448544796.db2.gz SUHZLUIGUOLBSR-ZOBUZTSGSA-N 2 2 337.464 1.429 20 0 EDADLP COC[C@]1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC[NH2+]1 ZINC000566728219 448545431 /nfs/dbraw/zinc/54/54/31/448545431.db2.gz QEBCCNXYXVELAV-NVXWUHKLSA-N 2 2 334.420 1.013 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccccc3OC3CCCC3)CCN2C1=O ZINC000517175404 448549170 /nfs/dbraw/zinc/54/91/70/448549170.db2.gz DUYSXHLRLIAEAZ-WBVHZDCISA-N 2 2 329.444 1.752 20 0 EDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3OC3CCCC3)CCN2C1=O ZINC000517175404 448549178 /nfs/dbraw/zinc/54/91/78/448549178.db2.gz DUYSXHLRLIAEAZ-WBVHZDCISA-N 2 2 329.444 1.752 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(NC[C@H]2CCCC[N@@H+]2C2CC2)[nH+]1 ZINC000517550333 448591264 /nfs/dbraw/zinc/59/12/64/448591264.db2.gz MGUMWTCQNPXTQD-GDBMZVCRSA-N 2 2 331.464 2.496 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(NC[C@H]2CCCC[N@H+]2C2CC2)[nH+]1 ZINC000517550333 448591269 /nfs/dbraw/zinc/59/12/69/448591269.db2.gz MGUMWTCQNPXTQD-GDBMZVCRSA-N 2 2 331.464 2.496 20 0 EDADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000584824048 448642781 /nfs/dbraw/zinc/64/27/81/448642781.db2.gz LAKGIBUXMMZSNV-KRWDZBQOSA-N 2 2 339.528 1.140 20 0 EDADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000584824048 448642798 /nfs/dbraw/zinc/64/27/98/448642798.db2.gz LAKGIBUXMMZSNV-KRWDZBQOSA-N 2 2 339.528 1.140 20 0 EDADLP CCOC[C@@H]1C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000528718638 448643406 /nfs/dbraw/zinc/64/34/06/448643406.db2.gz HLZASHXPJSZBQY-SJORKVTESA-N 2 2 347.459 1.751 20 0 EDADLP CCOC[C@@H]1C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000528718638 448643409 /nfs/dbraw/zinc/64/34/09/448643409.db2.gz HLZASHXPJSZBQY-SJORKVTESA-N 2 2 347.459 1.751 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567344861 448670078 /nfs/dbraw/zinc/67/00/78/448670078.db2.gz FMBWLVKACXUBHR-ZBFHGGJFSA-N 2 2 330.457 1.876 20 0 EDADLP CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567344861 448670081 /nfs/dbraw/zinc/67/00/81/448670081.db2.gz FMBWLVKACXUBHR-ZBFHGGJFSA-N 2 2 330.457 1.876 20 0 EDADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](CC[NH3+])C(F)F)cn2c1 ZINC000567170013 448629245 /nfs/dbraw/zinc/62/92/45/448629245.db2.gz LHGRNRYZBWSBRB-GFCCVEGCSA-N 2 2 342.415 1.975 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000584794042 448636581 /nfs/dbraw/zinc/63/65/81/448636581.db2.gz ZZGGTTKUBYJGFK-JOCQHMNTSA-N 2 2 329.404 1.154 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCCC3)CCN2C1=O ZINC000579005595 448693881 /nfs/dbraw/zinc/69/38/81/448693881.db2.gz HVUHOYSKKABMJU-BBRMVZONSA-N 2 2 348.878 1.684 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCCC3)CCN2C1=O ZINC000579005595 448693884 /nfs/dbraw/zinc/69/38/84/448693884.db2.gz HVUHOYSKKABMJU-BBRMVZONSA-N 2 2 348.878 1.684 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000573713285 448696432 /nfs/dbraw/zinc/69/64/32/448696432.db2.gz OCWIBFRRZCPKPL-RBUKOAKNSA-N 2 2 343.471 1.415 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000573713285 448696436 /nfs/dbraw/zinc/69/64/36/448696436.db2.gz OCWIBFRRZCPKPL-RBUKOAKNSA-N 2 2 343.471 1.415 20 0 EDADLP CN(C(=O)c1cccnn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000528895918 448705359 /nfs/dbraw/zinc/70/53/59/448705359.db2.gz PQBDZEIPHLPZHI-QZTJIDSGSA-N 2 2 345.491 1.886 20 0 EDADLP CN(C(=O)c1cccnn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000528895918 448705363 /nfs/dbraw/zinc/70/53/63/448705363.db2.gz PQBDZEIPHLPZHI-QZTJIDSGSA-N 2 2 345.491 1.886 20 0 EDADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000573839774 448727186 /nfs/dbraw/zinc/72/71/86/448727186.db2.gz HABPIQXQWDRULD-HNNXBMFYSA-N 2 2 334.464 1.559 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@]3(CCO)CCOC3)c2cc1C ZINC000579474837 448803730 /nfs/dbraw/zinc/80/37/30/448803730.db2.gz QNVIKWZQHCFALN-VQIMIIECSA-N 2 2 347.459 1.393 20 0 EDADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000529289135 448809017 /nfs/dbraw/zinc/80/90/17/448809017.db2.gz YJKMIPKFWDJRDK-INIZCTEOSA-N 2 2 347.463 1.058 20 0 EDADLP CCO[C@H](C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000579344567 448771754 /nfs/dbraw/zinc/77/17/54/448771754.db2.gz GFGFETHBYHYYIW-OGWHTMIXSA-N 2 2 336.476 1.824 20 0 EDADLP CCO[C@H](C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000579344567 448771758 /nfs/dbraw/zinc/77/17/58/448771758.db2.gz GFGFETHBYHYYIW-OGWHTMIXSA-N 2 2 336.476 1.824 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCCc2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000574059774 448783332 /nfs/dbraw/zinc/78/33/32/448783332.db2.gz XTEYKGFNRQJSSQ-CQSZACIVSA-N 2 2 340.418 1.572 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCCc2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000574059774 448783342 /nfs/dbraw/zinc/78/33/42/448783342.db2.gz XTEYKGFNRQJSSQ-CQSZACIVSA-N 2 2 340.418 1.572 20 0 EDADLP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)CCOC)C12CCCCC2 ZINC000579430234 448788088 /nfs/dbraw/zinc/78/80/88/448788088.db2.gz NVUUSZYLJRLDIG-KZNAEPCWSA-N 2 2 342.524 1.985 20 0 EDADLP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)CCOC)C12CCCCC2 ZINC000579430234 448788093 /nfs/dbraw/zinc/78/80/93/448788093.db2.gz NVUUSZYLJRLDIG-KZNAEPCWSA-N 2 2 342.524 1.985 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)CCOC)C12CCCCC2 ZINC000579430234 448788100 /nfs/dbraw/zinc/78/81/00/448788100.db2.gz NVUUSZYLJRLDIG-KZNAEPCWSA-N 2 2 342.524 1.985 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)CCOC)C12CCCCC2 ZINC000579430234 448788105 /nfs/dbraw/zinc/78/81/05/448788105.db2.gz NVUUSZYLJRLDIG-KZNAEPCWSA-N 2 2 342.524 1.985 20 0 EDADLP CNC(=O)c1ccc(C[NH+]2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1 ZINC000579430664 448788134 /nfs/dbraw/zinc/78/81/34/448788134.db2.gz REDAZHBUSYLRIS-OAHLLOKOSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000579572519 448823415 /nfs/dbraw/zinc/82/34/15/448823415.db2.gz VVTMPQVVKNDBHV-SJORKVTESA-N 2 2 345.491 1.860 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000568163134 448825246 /nfs/dbraw/zinc/82/52/46/448825246.db2.gz PUBXJCRASLERAD-AGIUHOORSA-N 2 2 325.403 1.824 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000568163134 448825251 /nfs/dbraw/zinc/82/52/51/448825251.db2.gz PUBXJCRASLERAD-AGIUHOORSA-N 2 2 325.403 1.824 20 0 EDADLP COC[C@H](O)C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000579584553 448827380 /nfs/dbraw/zinc/82/73/80/448827380.db2.gz QVGHEWGNNNHTDC-CYBMUJFWSA-N 2 2 342.237 1.545 20 0 EDADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000519733364 448829983 /nfs/dbraw/zinc/82/99/83/448829983.db2.gz YDZFYDQSVANYRM-JXFKEZNVSA-N 2 2 345.487 1.895 20 0 EDADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000519733364 448829989 /nfs/dbraw/zinc/82/99/89/448829989.db2.gz YDZFYDQSVANYRM-JXFKEZNVSA-N 2 2 345.487 1.895 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000568210291 448837721 /nfs/dbraw/zinc/83/77/21/448837721.db2.gz UMUUBLBIOXPTIZ-INIZCTEOSA-N 2 2 333.476 1.583 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000529354080 448838336 /nfs/dbraw/zinc/83/83/36/448838336.db2.gz UDUOTAHOVZWZNR-INIZCTEOSA-N 2 2 329.448 1.193 20 0 EDADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000529374484 448847383 /nfs/dbraw/zinc/84/73/83/448847383.db2.gz DLASFWBISWORGI-HNNXBMFYSA-N 2 2 347.463 1.097 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000574331832 448847669 /nfs/dbraw/zinc/84/76/69/448847669.db2.gz JYBYHDOZCBOGCQ-QGZVFWFLSA-N 2 2 326.387 1.830 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H]3CCC(=O)N(C)C3)c2cc1C ZINC000574336849 448849226 /nfs/dbraw/zinc/84/92/26/448849226.db2.gz JUYPYJQDRZQRKS-HOTGVXAUSA-N 2 2 344.459 1.567 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H]3CCC(=O)N(C)C3)c2cc1C ZINC000574336849 448849230 /nfs/dbraw/zinc/84/92/30/448849230.db2.gz JUYPYJQDRZQRKS-HOTGVXAUSA-N 2 2 344.459 1.567 20 0 EDADLP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568399565 448868276 /nfs/dbraw/zinc/86/82/76/448868276.db2.gz SSPWJIHVXZHBKN-RDTXWAMCSA-N 2 2 340.427 1.513 20 0 EDADLP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568399565 448868285 /nfs/dbraw/zinc/86/82/85/448868285.db2.gz SSPWJIHVXZHBKN-RDTXWAMCSA-N 2 2 340.427 1.513 20 0 EDADLP Cc1[nH+]cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n1C ZINC000574465219 448881487 /nfs/dbraw/zinc/88/14/87/448881487.db2.gz GSCUYXXNGRJSKO-UHFFFAOYSA-N 3 2 343.479 1.211 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)[C@H](C[NH3+])C1 ZINC000579812734 448881963 /nfs/dbraw/zinc/88/19/63/448881963.db2.gz BIXAENJEUDSDND-ZWNOBZJWSA-N 2 2 348.344 1.555 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)[C@H](C[NH3+])C1 ZINC000579812734 448881967 /nfs/dbraw/zinc/88/19/67/448881967.db2.gz BIXAENJEUDSDND-ZWNOBZJWSA-N 2 2 348.344 1.555 20 0 EDADLP C[C@@H]1C[N@@H+](CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C[C@H](C)O1 ZINC000547540329 448897022 /nfs/dbraw/zinc/89/70/22/448897022.db2.gz ZDIAUPKFOHMIEC-GASCZTMLSA-N 2 2 334.464 1.310 20 0 EDADLP C[C@@H]1C[N@H+](CC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C[C@H](C)O1 ZINC000547540329 448897026 /nfs/dbraw/zinc/89/70/26/448897026.db2.gz ZDIAUPKFOHMIEC-GASCZTMLSA-N 2 2 334.464 1.310 20 0 EDADLP Cc1cc(N2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)nc(C)[nH+]1 ZINC000547539509 448897948 /nfs/dbraw/zinc/89/79/48/448897948.db2.gz JOZOBQXWNXSJOI-UHFFFAOYSA-N 2 2 328.420 1.155 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OCC(F)F ZINC000568734056 448910942 /nfs/dbraw/zinc/91/09/42/448910942.db2.gz WKDGETDCLTWPTD-CYBMUJFWSA-N 2 2 342.390 1.746 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000547674110 448911828 /nfs/dbraw/zinc/91/18/28/448911828.db2.gz ZHAYFXRECJLLQB-OLZOCXBDSA-N 2 2 333.461 1.862 20 0 EDADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000579932677 448911963 /nfs/dbraw/zinc/91/19/63/448911963.db2.gz WMJRWQYWKGCPER-CALCHBBNSA-N 2 2 330.432 1.317 20 0 EDADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000579932677 448911973 /nfs/dbraw/zinc/91/19/73/448911973.db2.gz WMJRWQYWKGCPER-CALCHBBNSA-N 2 2 330.432 1.317 20 0 EDADLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)cn2)C[C@H](C)O1 ZINC000579943167 448914532 /nfs/dbraw/zinc/91/45/32/448914532.db2.gz DRRJGPGFIPBBLE-DAYGRLMNSA-N 2 2 348.491 1.240 20 0 EDADLP C[C@@H]1CN(c2ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)cn2)C[C@H](C)O1 ZINC000579943167 448914537 /nfs/dbraw/zinc/91/45/37/448914537.db2.gz DRRJGPGFIPBBLE-DAYGRLMNSA-N 2 2 348.491 1.240 20 0 EDADLP COCCc1noc(CC2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)n1 ZINC000529644138 448916619 /nfs/dbraw/zinc/91/66/19/448916619.db2.gz SNCVKALOYSXOGU-UHFFFAOYSA-N 2 2 333.436 1.755 20 0 EDADLP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000529703108 448930970 /nfs/dbraw/zinc/93/09/70/448930970.db2.gz VOWOVPAGSCTNOC-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000529703108 448930973 /nfs/dbraw/zinc/93/09/73/448930973.db2.gz VOWOVPAGSCTNOC-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000529703108 448930975 /nfs/dbraw/zinc/93/09/75/448930975.db2.gz VOWOVPAGSCTNOC-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000529703108 448930977 /nfs/dbraw/zinc/93/09/77/448930977.db2.gz VOWOVPAGSCTNOC-MOPGFXCFSA-N 2 2 345.487 1.686 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000574876678 448977828 /nfs/dbraw/zinc/97/78/28/448977828.db2.gz BENNJHXLKKSUEH-KRWDZBQOSA-N 2 2 338.473 1.544 20 0 EDADLP CS(=O)(=O)c1cccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000574876678 448977835 /nfs/dbraw/zinc/97/78/35/448977835.db2.gz BENNJHXLKKSUEH-KRWDZBQOSA-N 2 2 338.473 1.544 20 0 EDADLP Cc1cccnc1C(C)(C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569214216 448980088 /nfs/dbraw/zinc/98/00/88/448980088.db2.gz GDWJPYBNLVQSOQ-IXDOHACOSA-N 2 2 335.492 1.727 20 0 EDADLP Cc1cccnc1C(C)(C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569214216 448980094 /nfs/dbraw/zinc/98/00/94/448980094.db2.gz GDWJPYBNLVQSOQ-IXDOHACOSA-N 2 2 335.492 1.727 20 0 EDADLP COc1ccc(C[C@@H](C)CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000569215112 448981071 /nfs/dbraw/zinc/98/10/71/448981071.db2.gz CXBQSCDUWPIAKM-GDBMZVCRSA-N 2 2 334.464 1.158 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000520968125 448941972 /nfs/dbraw/zinc/94/19/72/448941972.db2.gz WENFBZVDZSGCGW-GFCCVEGCSA-N 2 2 325.376 1.233 20 0 EDADLP Cc1csc([C@H](C)C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000521614295 449001081 /nfs/dbraw/zinc/00/10/81/449001081.db2.gz GZUWJWMZSCBTOX-RZFFKMDDSA-N 2 2 327.494 1.615 20 0 EDADLP Cc1csc([C@H](C)C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000521614295 449001085 /nfs/dbraw/zinc/00/10/85/449001085.db2.gz GZUWJWMZSCBTOX-RZFFKMDDSA-N 2 2 327.494 1.615 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)[C@H](C[NH3+])C1 ZINC000521842820 449017623 /nfs/dbraw/zinc/01/76/23/449017623.db2.gz MMPGOEMGQVYDQN-FVQBIDKESA-N 2 2 336.867 1.870 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)[C@H](C[NH3+])C1 ZINC000521842820 449017626 /nfs/dbraw/zinc/01/76/26/449017626.db2.gz MMPGOEMGQVYDQN-FVQBIDKESA-N 2 2 336.867 1.870 20 0 EDADLP COc1cccc([C@H]2C[C@H](NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])C2)c1 ZINC000569441513 449025107 /nfs/dbraw/zinc/02/51/07/449025107.db2.gz PSAWWSXZXHVBNV-JYJNAYRXSA-N 2 2 332.448 1.226 20 0 EDADLP COc1cccc([C@H]2C[C@H](NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])C2)c1 ZINC000569441513 449025114 /nfs/dbraw/zinc/02/51/14/449025114.db2.gz PSAWWSXZXHVBNV-JYJNAYRXSA-N 2 2 332.448 1.226 20 0 EDADLP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000575057622 449025178 /nfs/dbraw/zinc/02/51/78/449025178.db2.gz CUHKPOYJCJTDMF-CYBMUJFWSA-N 2 2 327.388 1.192 20 0 EDADLP C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1[nH]cc[nH+]1 ZINC000569532879 449036180 /nfs/dbraw/zinc/03/61/80/449036180.db2.gz TYWVGFIFQIBMOZ-OAHLLOKOSA-N 2 2 327.432 1.405 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000582230392 449041625 /nfs/dbraw/zinc/04/16/25/449041625.db2.gz MGZLCHDYRHTWLG-MSOLQXFVSA-N 3 2 345.491 1.108 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000589649648 449046640 /nfs/dbraw/zinc/04/66/40/449046640.db2.gz DTTAJMKWNUYSDH-KRWDZBQOSA-N 2 2 329.448 1.595 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000589649648 449046646 /nfs/dbraw/zinc/04/66/46/449046646.db2.gz DTTAJMKWNUYSDH-KRWDZBQOSA-N 2 2 329.448 1.595 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC000593092840 449130867 /nfs/dbraw/zinc/13/08/67/449130867.db2.gz RFCHHNYWJGIERY-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC000593092840 449130869 /nfs/dbraw/zinc/13/08/69/449130869.db2.gz RFCHHNYWJGIERY-HNNXBMFYSA-N 2 2 339.480 1.347 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)NCC[NH+]1Cc2ccccc2C1 ZINC000600052255 449159976 /nfs/dbraw/zinc/15/99/76/449159976.db2.gz ASSPGJKWBXXXCA-UHFFFAOYSA-N 2 2 331.460 1.621 20 0 EDADLP COC(=O)[C@]1(NCCn2cc[nH+]c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611796401 449425543 /nfs/dbraw/zinc/42/55/43/449425543.db2.gz RIDKQRQUDVQJCM-IBGZPJMESA-N 2 2 342.443 1.681 20 0 EDADLP COC(=O)[C@]1(NCCn2cc[nH+]c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611796401 449425548 /nfs/dbraw/zinc/42/55/48/449425548.db2.gz RIDKQRQUDVQJCM-IBGZPJMESA-N 2 2 342.443 1.681 20 0 EDADLP COc1ccc(C)cc1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602198213 449427521 /nfs/dbraw/zinc/42/75/21/449427521.db2.gz XVNOOIYQRPRDFO-KRWDZBQOSA-N 2 2 345.487 1.831 20 0 EDADLP COc1ccc(C)cc1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602198213 449427525 /nfs/dbraw/zinc/42/75/25/449427525.db2.gz XVNOOIYQRPRDFO-KRWDZBQOSA-N 2 2 345.487 1.831 20 0 EDADLP COC(=O)c1nccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000596169637 449395116 /nfs/dbraw/zinc/39/51/16/449395116.db2.gz ZBSKIGVNQCVLEN-UHFFFAOYSA-N 2 2 347.463 1.258 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614130575 449473426 /nfs/dbraw/zinc/47/34/26/449473426.db2.gz RVIPQOLLCQFRCN-NUEKZKHPSA-N 2 2 332.448 1.235 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614130575 449473433 /nfs/dbraw/zinc/47/34/33/449473433.db2.gz RVIPQOLLCQFRCN-NUEKZKHPSA-N 2 2 332.448 1.235 20 0 EDADLP CC(C)n1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000606511501 449481521 /nfs/dbraw/zinc/48/15/21/449481521.db2.gz YPRVCNPNHNJDIB-INIZCTEOSA-N 2 2 348.495 1.432 20 0 EDADLP CC(C)n1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000606511501 449481526 /nfs/dbraw/zinc/48/15/26/449481526.db2.gz YPRVCNPNHNJDIB-INIZCTEOSA-N 2 2 348.495 1.432 20 0 EDADLP COC(=O)c1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)n2c1CCCC2 ZINC000598650825 449519855 /nfs/dbraw/zinc/51/98/55/449519855.db2.gz PEZJDPJAMGMYRM-UHFFFAOYSA-N 2 2 349.475 1.547 20 0 EDADLP COC(=O)C1CC[NH+](CCCNC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000598661976 449524761 /nfs/dbraw/zinc/52/47/61/449524761.db2.gz QWUVPOQLCHWMNZ-UHFFFAOYSA-N 2 2 336.436 1.079 20 0 EDADLP CSCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N(C)C ZINC000594522393 449560952 /nfs/dbraw/zinc/56/09/52/449560952.db2.gz LFCHUELYVSHPLZ-GJZGRUSLSA-N 2 2 329.510 1.039 20 0 EDADLP Cc1ccc(F)cc1C(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506264 449652283 /nfs/dbraw/zinc/65/22/83/449652283.db2.gz HUHHDYGJACUWJF-AWEZNQCLSA-N 2 2 337.439 1.705 20 0 EDADLP Cc1ccc(F)cc1C(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506264 449652287 /nfs/dbraw/zinc/65/22/87/449652287.db2.gz HUHHDYGJACUWJF-AWEZNQCLSA-N 2 2 337.439 1.705 20 0 EDADLP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)on1 ZINC000602504015 449634721 /nfs/dbraw/zinc/63/47/21/449634721.db2.gz QYWJHTAPFBDKQM-UHFFFAOYSA-N 2 2 345.399 1.583 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)nn3C)C2)CC1 ZINC000597003366 449758292 /nfs/dbraw/zinc/75/82/92/449758292.db2.gz ONHPDLKBZUYTER-CYBMUJFWSA-N 2 2 345.413 1.651 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)nn3C)C2)CC1 ZINC000597003366 449758296 /nfs/dbraw/zinc/75/82/96/449758296.db2.gz ONHPDLKBZUYTER-CYBMUJFWSA-N 2 2 345.413 1.651 20 0 EDADLP COc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc2n1 ZINC000617763078 449822503 /nfs/dbraw/zinc/82/25/03/449822503.db2.gz DHKFDKJWTHZUNV-UHFFFAOYSA-N 2 2 344.459 1.857 20 0 EDADLP COc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc2n1 ZINC000617763078 449822506 /nfs/dbraw/zinc/82/25/06/449822506.db2.gz DHKFDKJWTHZUNV-UHFFFAOYSA-N 2 2 344.459 1.857 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-n2ccnn2)ccc1F ZINC000617763345 449823004 /nfs/dbraw/zinc/82/30/04/449823004.db2.gz NZRTZIJNLWKAMF-UHFFFAOYSA-N 2 2 348.426 1.020 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-n2ccnn2)ccc1F ZINC000617763345 449823007 /nfs/dbraw/zinc/82/30/07/449823007.db2.gz NZRTZIJNLWKAMF-UHFFFAOYSA-N 2 2 348.426 1.020 20 0 EDADLP COc1ccc2c(c1)OC[C@@H]2CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765774 449825856 /nfs/dbraw/zinc/82/58/56/449825856.db2.gz POVUGJNIKNXDPR-HNNXBMFYSA-N 2 2 349.475 1.561 20 0 EDADLP COc1ccc2c(c1)OC[C@@H]2CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765774 449825866 /nfs/dbraw/zinc/82/58/66/449825866.db2.gz POVUGJNIKNXDPR-HNNXBMFYSA-N 2 2 349.475 1.561 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNc1cccc(Cl)c1 ZINC000617766194 449828902 /nfs/dbraw/zinc/82/89/02/449828902.db2.gz BEMTZPINRSJVQR-UHFFFAOYSA-N 2 2 326.872 1.752 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNc1cccc(Cl)c1 ZINC000617766194 449828905 /nfs/dbraw/zinc/82/89/05/449828905.db2.gz BEMTZPINRSJVQR-UHFFFAOYSA-N 2 2 326.872 1.752 20 0 EDADLP Cc1nn(C)c2nc(C)cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c12 ZINC000617768132 449833338 /nfs/dbraw/zinc/83/33/38/449833338.db2.gz QHJOGHLCZYQORX-UHFFFAOYSA-N 2 2 346.479 1.198 20 0 EDADLP Cc1nn(C)c2nc(C)cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c12 ZINC000617768132 449833342 /nfs/dbraw/zinc/83/33/42/449833342.db2.gz QHJOGHLCZYQORX-UHFFFAOYSA-N 2 2 346.479 1.198 20 0 EDADLP Cc1cnc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000608439022 449840514 /nfs/dbraw/zinc/84/05/14/449840514.db2.gz ZAZMCPKUVXCERR-CYBMUJFWSA-N 2 2 337.493 1.419 20 0 EDADLP Cc1cnc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000608439022 449840518 /nfs/dbraw/zinc/84/05/18/449840518.db2.gz ZAZMCPKUVXCERR-CYBMUJFWSA-N 2 2 337.493 1.419 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601334111 449842440 /nfs/dbraw/zinc/84/24/40/449842440.db2.gz IMJPVOJGGUPZOJ-GOEBONIOSA-N 2 2 331.416 1.486 20 0 EDADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601334111 449842443 /nfs/dbraw/zinc/84/24/43/449842443.db2.gz IMJPVOJGGUPZOJ-GOEBONIOSA-N 2 2 331.416 1.486 20 0 EDADLP C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602767608 449793304 /nfs/dbraw/zinc/79/33/04/449793304.db2.gz HTSLLKSBOWBMPN-SOLBZPMBSA-N 2 2 337.508 1.866 20 0 EDADLP C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000602767608 449793309 /nfs/dbraw/zinc/79/33/09/449793309.db2.gz HTSLLKSBOWBMPN-SOLBZPMBSA-N 2 2 337.508 1.866 20 0 EDADLP CCc1oc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1C(=O)OC ZINC000597248680 449894503 /nfs/dbraw/zinc/89/45/03/449894503.db2.gz CSOXTTUXLOJWJL-UHFFFAOYSA-N 2 2 332.404 1.684 20 0 EDADLP CS[C@H]1CN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH+](C)C ZINC000601379593 449894949 /nfs/dbraw/zinc/89/49/49/449894949.db2.gz LQJOGFYLNVRSAD-SJORKVTESA-N 2 2 344.484 1.919 20 0 EDADLP C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000595061525 449852475 /nfs/dbraw/zinc/85/24/75/449852475.db2.gz OQYWPGBGTONDNH-FSTVOOFJSA-N 2 2 328.522 1.909 20 0 EDADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000612895339 449932088 /nfs/dbraw/zinc/93/20/88/449932088.db2.gz BMBSCHXNJLAEJR-ZOBUZTSGSA-N 2 2 338.402 1.761 20 0 EDADLP C[N@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000612895339 449932093 /nfs/dbraw/zinc/93/20/93/449932093.db2.gz BMBSCHXNJLAEJR-ZOBUZTSGSA-N 2 2 338.402 1.761 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615108911 449962175 /nfs/dbraw/zinc/96/21/75/449962175.db2.gz QHBGUTPWJSKFDI-GOEBONIOSA-N 2 2 340.427 1.720 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000615108911 449962179 /nfs/dbraw/zinc/96/21/79/449962179.db2.gz QHBGUTPWJSKFDI-GOEBONIOSA-N 2 2 340.427 1.720 20 0 EDADLP O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615108911 449962181 /nfs/dbraw/zinc/96/21/81/449962181.db2.gz QHBGUTPWJSKFDI-GOEBONIOSA-N 2 2 340.427 1.720 20 0 EDADLP O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000615108911 449962186 /nfs/dbraw/zinc/96/21/86/449962186.db2.gz QHBGUTPWJSKFDI-GOEBONIOSA-N 2 2 340.427 1.720 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC(=O)NCc1cccs1 ZINC000609157744 449971032 /nfs/dbraw/zinc/97/10/32/449971032.db2.gz UNCILYFFJYPYGX-ZDUSSCGKSA-N 2 2 347.444 1.608 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC(=O)NCc1cccs1 ZINC000609157744 449971036 /nfs/dbraw/zinc/97/10/36/449971036.db2.gz UNCILYFFJYPYGX-ZDUSSCGKSA-N 2 2 347.444 1.608 20 0 EDADLP CC(C)CO[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479261 450000759 /nfs/dbraw/zinc/00/07/59/450000759.db2.gz TZBSTOBASRDFHV-NVXWUHKLSA-N 2 2 325.497 1.674 20 0 EDADLP CC(C)CO[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479261 450000764 /nfs/dbraw/zinc/00/07/64/450000764.db2.gz TZBSTOBASRDFHV-NVXWUHKLSA-N 2 2 325.497 1.674 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000595300116 450013115 /nfs/dbraw/zinc/01/31/15/450013115.db2.gz NASLEYNUVUJNMR-HUUCEWRRSA-N 2 2 334.420 1.074 20 0 EDADLP COC(=O)CCN1CCC[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000595300116 450013118 /nfs/dbraw/zinc/01/31/18/450013118.db2.gz NASLEYNUVUJNMR-HUUCEWRRSA-N 2 2 334.420 1.074 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000595300077 450014269 /nfs/dbraw/zinc/01/42/69/450014269.db2.gz MFELPMUNWJUHMF-GJZGRUSLSA-N 2 2 348.447 1.463 20 0 EDADLP CC(C)(C)OC(=O)CN1CC[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000595300077 450014272 /nfs/dbraw/zinc/01/42/72/450014272.db2.gz MFELPMUNWJUHMF-GJZGRUSLSA-N 2 2 348.447 1.463 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[N@H+]3C)ccn12 ZINC000615274532 450040219 /nfs/dbraw/zinc/04/02/19/450040219.db2.gz JNTIQFCBYWWUTR-HZPDHXFCSA-N 2 2 328.416 1.578 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCOC[C@@H]3[C@H]3CCC[N@@H+]3C)ccn12 ZINC000615274532 450040225 /nfs/dbraw/zinc/04/02/25/450040225.db2.gz JNTIQFCBYWWUTR-HZPDHXFCSA-N 2 2 328.416 1.578 20 0 EDADLP CCCCNC(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000613359168 450149013 /nfs/dbraw/zinc/14/90/13/450149013.db2.gz LVXNLBVXJCPGNF-GOSISDBHSA-N 2 2 333.476 1.763 20 0 EDADLP CS[C@@H]1CN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCCC1 ZINC000595434119 450139605 /nfs/dbraw/zinc/13/96/05/450139605.db2.gz YNMMQIONTJSENK-YYIAUSFCSA-N 2 2 327.538 1.607 20 0 EDADLP CS[C@@H]1CN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCCC1 ZINC000595434119 450139609 /nfs/dbraw/zinc/13/96/09/450139609.db2.gz YNMMQIONTJSENK-YYIAUSFCSA-N 2 2 327.538 1.607 20 0 EDADLP CN(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH+]cn1C ZINC000618669837 450269288 /nfs/dbraw/zinc/26/92/88/450269288.db2.gz LJFJBQFPMJZCFZ-YOEHRIQHSA-N 2 2 333.480 1.546 20 0 EDADLP CN(C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1c[nH+]cn1C ZINC000618669837 450269290 /nfs/dbraw/zinc/26/92/90/450269290.db2.gz LJFJBQFPMJZCFZ-YOEHRIQHSA-N 2 2 333.480 1.546 20 0 EDADLP CCOC(=O)c1sc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1C ZINC000603433346 450300201 /nfs/dbraw/zinc/30/02/01/450300201.db2.gz MJEUAUDNBZORBX-QWRGUYRKSA-N 2 2 339.461 1.887 20 0 EDADLP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1(C)C ZINC000623353920 450504100 /nfs/dbraw/zinc/50/41/00/450504100.db2.gz BWFUTQAVHWZXGF-KRWDZBQOSA-N 3 2 346.523 1.451 20 0 EDADLP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1(C)C ZINC000623353920 450504103 /nfs/dbraw/zinc/50/41/03/450504103.db2.gz BWFUTQAVHWZXGF-KRWDZBQOSA-N 3 2 346.523 1.451 20 0 EDADLP C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)c1[nH+]ccn1C ZINC000620603993 450520239 /nfs/dbraw/zinc/52/02/39/450520239.db2.gz PBYPOBWULJKURD-JTQLQIEISA-N 2 2 327.392 1.259 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000625968670 450546068 /nfs/dbraw/zinc/54/60/68/450546068.db2.gz YQXLXFIBCIPYJQ-IRXDYDNUSA-N 2 2 348.491 1.713 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@H](C)CC[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000623720026 450572325 /nfs/dbraw/zinc/57/23/25/450572325.db2.gz SMRBKMQRTHJLRN-CYBMUJFWSA-N 2 2 336.484 1.960 20 0 EDADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087399 450572420 /nfs/dbraw/zinc/57/24/20/450572420.db2.gz MSCZILBWUIGYTL-HOTGVXAUSA-N 2 2 325.497 1.866 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CO[C@@H](C4CC4)C3)C2)CC1 ZINC000623638494 450557439 /nfs/dbraw/zinc/55/74/39/450557439.db2.gz HKUHQAPNMHQZBA-ZMSDIMECSA-N 2 2 336.480 1.022 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CO[C@@H](C4CC4)C3)C2)CC1 ZINC000623638494 450557441 /nfs/dbraw/zinc/55/74/41/450557441.db2.gz HKUHQAPNMHQZBA-ZMSDIMECSA-N 2 2 336.480 1.022 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000623726216 450573921 /nfs/dbraw/zinc/57/39/21/450573921.db2.gz FPZDVLUHHABEIM-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000623726216 450573923 /nfs/dbraw/zinc/57/39/23/450573923.db2.gz FPZDVLUHHABEIM-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623726216 450573925 /nfs/dbraw/zinc/57/39/25/450573925.db2.gz FPZDVLUHHABEIM-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623726216 450573927 /nfs/dbraw/zinc/57/39/27/450573927.db2.gz FPZDVLUHHABEIM-WBVHZDCISA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726945 450574306 /nfs/dbraw/zinc/57/43/06/450574306.db2.gz HOZGDGUTCOOEPP-HUUCEWRRSA-N 2 2 348.495 2.102 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726945 450574308 /nfs/dbraw/zinc/57/43/08/450574308.db2.gz HOZGDGUTCOOEPP-HUUCEWRRSA-N 2 2 348.495 2.102 20 0 EDADLP COC[C@@]1(C)C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000626173478 450607424 /nfs/dbraw/zinc/60/74/24/450607424.db2.gz WAXSKKSHOCUYOV-QFBILLFUSA-N 2 2 347.459 1.751 20 0 EDADLP COC[C@@]1(C)C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000626173478 450607431 /nfs/dbraw/zinc/60/74/31/450607431.db2.gz WAXSKKSHOCUYOV-QFBILLFUSA-N 2 2 347.459 1.751 20 0 EDADLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623838993 450610876 /nfs/dbraw/zinc/61/08/76/450610876.db2.gz IVXNWXSFIKZZNK-JTQLQIEISA-N 2 2 333.827 1.233 20 0 EDADLP COC[C@]1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000626177894 450611200 /nfs/dbraw/zinc/61/12/00/450611200.db2.gz YIKJGXDQJMKYGN-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP COC[C@]1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000626177894 450611204 /nfs/dbraw/zinc/61/12/04/450611204.db2.gz YIKJGXDQJMKYGN-IBGZPJMESA-N 2 2 334.460 1.756 20 0 EDADLP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000633085930 450671434 /nfs/dbraw/zinc/67/14/34/450671434.db2.gz HMPVHODHCIDPOY-ZIAGYGMSSA-N 2 2 333.436 1.193 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000626361483 450704257 /nfs/dbraw/zinc/70/42/57/450704257.db2.gz IBQBASDDHJPUMB-HNNXBMFYSA-N 2 2 329.404 1.275 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000626361483 450704262 /nfs/dbraw/zinc/70/42/62/450704262.db2.gz IBQBASDDHJPUMB-HNNXBMFYSA-N 2 2 329.404 1.275 20 0 EDADLP Cc1cccc(C[NH+]2CCN(S(=O)(=O)CCC[NH+](C)C)CC2)c1 ZINC000631666385 450704422 /nfs/dbraw/zinc/70/44/22/450704422.db2.gz YCWDEKPLEJZLSK-UHFFFAOYSA-N 2 2 339.505 1.394 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000629567878 450741093 /nfs/dbraw/zinc/74/10/93/450741093.db2.gz NBYLATYYBFRUOI-UHFFFAOYSA-N 2 2 343.855 1.763 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000629567878 450741100 /nfs/dbraw/zinc/74/11/00/450741100.db2.gz NBYLATYYBFRUOI-UHFFFAOYSA-N 2 2 343.855 1.763 20 0 EDADLP O=C(CC[C@H]1CCC[NH2+]C1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000621641675 450806720 /nfs/dbraw/zinc/80/67/20/450806720.db2.gz RFQHGTFJWZVEMX-OAHLLOKOSA-N 2 2 332.448 1.314 20 0 EDADLP COc1cc(C(F)(F)F)nc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000624392422 450828446 /nfs/dbraw/zinc/82/84/46/450828446.db2.gz QRVSHRHONNCKRO-UHFFFAOYSA-N 2 2 335.374 1.799 20 0 EDADLP COc1cc(C(F)(F)F)nc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000624392422 450828450 /nfs/dbraw/zinc/82/84/50/450828450.db2.gz QRVSHRHONNCKRO-UHFFFAOYSA-N 2 2 335.374 1.799 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCOc1cccc(F)c1 ZINC000631885708 450845946 /nfs/dbraw/zinc/84/59/46/450845946.db2.gz BIWOFDSJJHCLCH-PBHICJAKSA-N 2 2 335.423 1.395 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCOc1cccc(F)c1 ZINC000631885708 450845949 /nfs/dbraw/zinc/84/59/49/450845949.db2.gz BIWOFDSJJHCLCH-PBHICJAKSA-N 2 2 335.423 1.395 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc(OC)c1 ZINC000631885753 450847210 /nfs/dbraw/zinc/84/72/10/450847210.db2.gz DOOUVBUQWGKDAK-DYVFJYSZSA-N 2 2 333.432 1.716 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc(OC)c1 ZINC000631885753 450847214 /nfs/dbraw/zinc/84/72/14/450847214.db2.gz DOOUVBUQWGKDAK-DYVFJYSZSA-N 2 2 333.432 1.716 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635328012 450853767 /nfs/dbraw/zinc/85/37/67/450853767.db2.gz GDGVNVAKKGTJMT-HZPDHXFCSA-N 2 2 326.400 1.935 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635328012 450853774 /nfs/dbraw/zinc/85/37/74/450853774.db2.gz GDGVNVAKKGTJMT-HZPDHXFCSA-N 2 2 326.400 1.935 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633427322 450843057 /nfs/dbraw/zinc/84/30/57/450843057.db2.gz LRRJXWWYDICYQD-UHFFFAOYSA-N 2 2 342.443 1.642 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C2(C[NH+](C)C)CC2)[NH+]2CCOCC2)cc1 ZINC000635392350 450900357 /nfs/dbraw/zinc/90/03/57/450900357.db2.gz DWNGGYNZAKDKKY-SFHVURJKSA-N 2 2 345.487 1.826 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000627832493 450966136 /nfs/dbraw/zinc/96/61/36/450966136.db2.gz UTQLBQSKAMFAKZ-OAHLLOKOSA-N 2 2 334.464 1.323 20 0 EDADLP O=C(NCCn1cc[nH+]c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000624816370 451013715 /nfs/dbraw/zinc/01/37/15/451013715.db2.gz CTFAQJZHMJPDLU-UHFFFAOYSA-N 2 2 330.457 1.862 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)ccc2[nH+]1 ZINC000626901781 450994675 /nfs/dbraw/zinc/99/46/75/450994675.db2.gz SWJUYURVFYIHPV-HDICACEKSA-N 2 2 341.415 1.039 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CO)C3CCCC3)C2)CC1 ZINC000633865184 451052512 /nfs/dbraw/zinc/05/25/12/451052512.db2.gz GNOWJSBXUWCFAY-NVXWUHKLSA-N 2 2 338.496 1.005 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CO)C3CCCC3)C2)CC1 ZINC000633865184 451052517 /nfs/dbraw/zinc/05/25/17/451052517.db2.gz GNOWJSBXUWCFAY-NVXWUHKLSA-N 2 2 338.496 1.005 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CCCF)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000627961658 451054460 /nfs/dbraw/zinc/05/44/60/451054460.db2.gz GQDAERVTWXXICR-JKSUJKDBSA-N 2 2 329.460 1.380 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CCCF)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000627961658 451054465 /nfs/dbraw/zinc/05/44/65/451054465.db2.gz GQDAERVTWXXICR-JKSUJKDBSA-N 2 2 329.460 1.380 20 0 EDADLP C[NH2+]CCCNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000633965981 451123762 /nfs/dbraw/zinc/12/37/62/451123762.db2.gz JNFABPAIQGZUTC-UHFFFAOYSA-N 2 2 334.464 1.440 20 0 EDADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124270 451147324 /nfs/dbraw/zinc/14/73/24/451147324.db2.gz ZKIFLUJJIXQHRH-UHFFFAOYSA-N 2 2 341.415 1.204 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635675519 451158964 /nfs/dbraw/zinc/15/89/64/451158964.db2.gz IPKUTIXMTJOJSN-WBMJQRKESA-N 2 2 326.400 1.790 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635675519 451158969 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C[C@@H]1C[C@@H]1c1noc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631365760 451713378 /nfs/dbraw/zinc/71/33/78/451713378.db2.gz VPXVFLFBNPDBBO-YUELXQCFSA-N 2 2 347.463 1.434 20 0 EDADLP O=C1C[C@H]([NH2+]C2CCC(=C3CCC3)CC2)CN1CC[NH+]1CCOCC1 ZINC000638871301 451715053 /nfs/dbraw/zinc/71/50/53/451715053.db2.gz LBFQZCXQRPRLMS-IBGZPJMESA-N 2 2 347.503 1.932 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)[C@H]3CCCCO3)C2)CC1 ZINC000631259841 451667616 /nfs/dbraw/zinc/66/76/16/451667616.db2.gz ZLMXCYQYUCAGSK-DOTOQJQBSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)[C@H]3CCCCO3)C2)CC1 ZINC000631259841 451667618 /nfs/dbraw/zinc/66/76/18/451667618.db2.gz ZLMXCYQYUCAGSK-DOTOQJQBSA-N 2 2 337.508 1.866 20 0 EDADLP C[N@H+](CCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)Cc1ccccc1 ZINC000636493965 451736113 /nfs/dbraw/zinc/73/61/13/451736113.db2.gz PPCJANPILWUVFC-INIZCTEOSA-N 2 2 327.432 1.629 20 0 EDADLP C[N@@H+](CCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)Cc1ccccc1 ZINC000636493965 451736117 /nfs/dbraw/zinc/73/61/17/451736117.db2.gz PPCJANPILWUVFC-INIZCTEOSA-N 2 2 327.432 1.629 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H](c2nccn2C)C2CC2)C1=O ZINC000638979717 451744713 /nfs/dbraw/zinc/74/47/13/451744713.db2.gz GOHRXCKCUBLMGO-HOCLYGCPSA-N 2 2 342.447 1.386 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H](c2nccn2C)C2CC2)C1=O ZINC000638979718 451744904 /nfs/dbraw/zinc/74/49/04/451744904.db2.gz GOHRXCKCUBLMGO-ZBFHGGJFSA-N 2 2 342.447 1.386 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000638986767 451747331 /nfs/dbraw/zinc/74/73/31/451747331.db2.gz ARYXBPAABZJUBJ-GOSISDBHSA-N 3 2 337.427 1.317 20 0 EDADLP OC[C@H]1CCC[N@@H+]1Cc1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000641130012 451757760 /nfs/dbraw/zinc/75/77/60/451757760.db2.gz NBWVIBQAWHPNNG-QGZVFWFLSA-N 2 2 338.415 1.469 20 0 EDADLP OC[C@H]1CCC[N@H+]1Cc1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000641130012 451757763 /nfs/dbraw/zinc/75/77/63/451757763.db2.gz NBWVIBQAWHPNNG-QGZVFWFLSA-N 2 2 338.415 1.469 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000641157872 451764767 /nfs/dbraw/zinc/76/47/67/451764767.db2.gz LYDQWXWPJGKKGY-KSSFIOAISA-N 2 2 344.459 1.294 20 0 EDADLP C[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1(CO)CC1 ZINC000639085072 451765659 /nfs/dbraw/zinc/76/56/59/451765659.db2.gz CKVFDDZCLSERQL-UHFFFAOYSA-N 2 2 334.460 1.602 20 0 EDADLP C[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1(CO)CC1 ZINC000639085072 451765661 /nfs/dbraw/zinc/76/56/61/451765661.db2.gz CKVFDDZCLSERQL-UHFFFAOYSA-N 2 2 334.460 1.602 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ncnn2-c2ccccc2)CC1 ZINC000639110636 451770101 /nfs/dbraw/zinc/77/01/01/451770101.db2.gz NVYJVJOEBVCHQI-UHFFFAOYSA-N 2 2 329.448 1.592 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(Cc3ccc(OCC[NH+]4CCOCC4)cc3)[C@H]2C1 ZINC000639200625 451790318 /nfs/dbraw/zinc/79/03/18/451790318.db2.gz LLBVSGLRLSZZRR-QUCCMNQESA-N 2 2 345.487 1.534 20 0 EDADLP C[N@H+]1C[C@H]2CCN(Cc3ccc(OCC[NH+]4CCOCC4)cc3)[C@H]2C1 ZINC000639200625 451790319 /nfs/dbraw/zinc/79/03/19/451790319.db2.gz LLBVSGLRLSZZRR-QUCCMNQESA-N 2 2 345.487 1.534 20 0 EDADLP COCCOCC[NH+]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000653275383 451809169 /nfs/dbraw/zinc/80/91/69/451809169.db2.gz DOCWUEHVRCHHNN-AEFFLSMTSA-N 2 2 349.475 1.130 20 0 EDADLP CC(C)Oc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000644523081 451840219 /nfs/dbraw/zinc/84/02/19/451840219.db2.gz GVQJJTBDSUPVLC-HLLBOEOZSA-N 2 2 337.464 1.429 20 0 EDADLP CC(C)Oc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000644523081 451840224 /nfs/dbraw/zinc/84/02/24/451840224.db2.gz GVQJJTBDSUPVLC-HLLBOEOZSA-N 2 2 337.464 1.429 20 0 EDADLP [NH3+]CCCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000637383818 451814799 /nfs/dbraw/zinc/81/47/99/451814799.db2.gz VANYVLUPENHGTR-UHFFFAOYSA-N 2 2 344.381 1.881 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCCNC3=O)c2cc1C ZINC000644555712 451858108 /nfs/dbraw/zinc/85/81/08/451858108.db2.gz NTGOFQMRSLBZGZ-LSDHHAIUSA-N 2 2 330.432 1.130 20 0 EDADLP Cc1nc2cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc2n1C1CC1 ZINC000653348542 451859430 /nfs/dbraw/zinc/85/94/30/451859430.db2.gz KIXAMWNQFKFHAV-HNNXBMFYSA-N 2 2 329.448 1.575 20 0 EDADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000637443124 451859621 /nfs/dbraw/zinc/85/96/21/451859621.db2.gz KLHROVJVFNYRNA-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000637443124 451859629 /nfs/dbraw/zinc/85/96/29/451859629.db2.gz KLHROVJVFNYRNA-MRXNPFEDSA-N 2 2 340.512 1.661 20 0 EDADLP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000649211265 451906190 /nfs/dbraw/zinc/90/61/90/451906190.db2.gz VTGRMWOQLVAWBK-CQSZACIVSA-N 2 2 342.447 1.938 20 0 EDADLP Cc1cc(C)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C)n1 ZINC000639518636 451920314 /nfs/dbraw/zinc/92/03/14/451920314.db2.gz LKGCFENUISUKDZ-SFHVURJKSA-N 2 2 330.476 1.745 20 0 EDADLP Cc1cc(C)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)n1 ZINC000639518636 451920318 /nfs/dbraw/zinc/92/03/18/451920318.db2.gz LKGCFENUISUKDZ-SFHVURJKSA-N 2 2 330.476 1.745 20 0 EDADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)CC2 ZINC000651568894 451923496 /nfs/dbraw/zinc/92/34/96/451923496.db2.gz AWXZVOJXXBRINZ-GJZGRUSLSA-N 2 2 325.416 1.544 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)[C@@H](C)C[N@@H+]1C ZINC000641405670 451943987 /nfs/dbraw/zinc/94/39/87/451943987.db2.gz GDGNGPQWFUDKRJ-KGLIPLIRSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[NH+](C)C3)[C@@H](C)C[N@H+]1C ZINC000641405670 451943992 /nfs/dbraw/zinc/94/39/92/451943992.db2.gz GDGNGPQWFUDKRJ-KGLIPLIRSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[N@H+](C)C3)[C@@H](C)C[NH+]1C ZINC000641405670 451943994 /nfs/dbraw/zinc/94/39/94/451943994.db2.gz GDGNGPQWFUDKRJ-KGLIPLIRSA-N 2 2 337.489 1.388 20 0 EDADLP C[C@@H]1CN(S(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)[C@@H](C)C[NH+]1C ZINC000641405670 451943997 /nfs/dbraw/zinc/94/39/97/451943997.db2.gz GDGNGPQWFUDKRJ-KGLIPLIRSA-N 2 2 337.489 1.388 20 0 EDADLP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1ccccn1 ZINC000639574184 451953597 /nfs/dbraw/zinc/95/35/97/451953597.db2.gz HGTGFFDLUCKUHZ-UHFFFAOYSA-N 2 2 346.475 1.845 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000649285544 451959496 /nfs/dbraw/zinc/95/94/96/451959496.db2.gz AVTUTQPZCUVSCY-OAHLLOKOSA-N 2 2 330.432 1.011 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641427563 451966217 /nfs/dbraw/zinc/96/62/17/451966217.db2.gz ZJPXDHPOEIMRST-NVXWUHKLSA-N 2 2 348.472 1.323 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641427563 451966220 /nfs/dbraw/zinc/96/62/20/451966220.db2.gz ZJPXDHPOEIMRST-NVXWUHKLSA-N 2 2 348.472 1.323 20 0 EDADLP CN1CC[NH+](C[C@H]2CN(CC[N@H+](C)Cc3ccccc3)CCO2)CC1 ZINC000649296092 451971032 /nfs/dbraw/zinc/97/10/32/451971032.db2.gz CKXWDVBGWXPXBK-FQEVSTJZSA-N 2 2 346.519 1.067 20 0 EDADLP CN1CC[NH+](C[C@H]2CN(CC[N@@H+](C)Cc3ccccc3)CCO2)CC1 ZINC000649296092 451971038 /nfs/dbraw/zinc/97/10/38/451971038.db2.gz CKXWDVBGWXPXBK-FQEVSTJZSA-N 2 2 346.519 1.067 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[C@@H](C)O1 ZINC000649295450 451971893 /nfs/dbraw/zinc/97/18/93/451971893.db2.gz KZJHGGIKIKHBNN-PDFKHUOFSA-N 2 2 329.444 1.700 20 0 EDADLP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000649296231 451973048 /nfs/dbraw/zinc/97/30/48/451973048.db2.gz OXUAGAANHKEWNI-RLLQIKCJSA-N 2 2 347.503 1.099 20 0 EDADLP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000649296231 451973056 /nfs/dbraw/zinc/97/30/56/451973056.db2.gz OXUAGAANHKEWNI-RLLQIKCJSA-N 2 2 347.503 1.099 20 0 EDADLP CNS(=O)(=O)c1ccccc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000641440796 451979010 /nfs/dbraw/zinc/97/90/10/451979010.db2.gz LMBYTHPJFWLVFD-UHFFFAOYSA-N 2 2 340.493 1.033 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](CCCc3c[nH+]cn3C)CC2)CC1 ZINC000653585260 452026481 /nfs/dbraw/zinc/02/64/81/452026481.db2.gz ICJDWCUOXRTKOH-UHFFFAOYSA-N 3 2 333.524 1.843 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000639693061 452031855 /nfs/dbraw/zinc/03/18/55/452031855.db2.gz MQLDUTQDTTWJQC-AEFFLSMTSA-N 2 2 330.476 1.814 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000639693061 452031861 /nfs/dbraw/zinc/03/18/61/452031861.db2.gz MQLDUTQDTTWJQC-AEFFLSMTSA-N 2 2 330.476 1.814 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCc4cccnc43)C2)CC1 ZINC000644860071 452032966 /nfs/dbraw/zinc/03/29/66/452032966.db2.gz DVZCEUYAGBLITO-WBVHZDCISA-N 2 2 328.460 1.396 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCc4cccnc43)C2)CC1 ZINC000644860071 452032972 /nfs/dbraw/zinc/03/29/72/452032972.db2.gz DVZCEUYAGBLITO-WBVHZDCISA-N 2 2 328.460 1.396 20 0 EDADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000649361694 452041532 /nfs/dbraw/zinc/04/15/32/452041532.db2.gz JBNFWLQPMLKHIR-WBVHZDCISA-N 2 2 326.400 1.384 20 0 EDADLP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C[NH3+])OC ZINC000649379236 452052124 /nfs/dbraw/zinc/05/21/24/452052124.db2.gz UZSUTGMABDNPIT-JCGIZDLHSA-N 2 2 348.491 1.423 20 0 EDADLP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C[NH3+])OC ZINC000649379236 452052132 /nfs/dbraw/zinc/05/21/32/452052132.db2.gz UZSUTGMABDNPIT-JCGIZDLHSA-N 2 2 348.491 1.423 20 0 EDADLP CCc1cc(CCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)on1 ZINC000649393404 452063304 /nfs/dbraw/zinc/06/33/04/452063304.db2.gz HZOQNRWFIUOSLA-KRWDZBQOSA-N 2 2 334.464 1.584 20 0 EDADLP CCc1cc(CCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)on1 ZINC000649393404 452063311 /nfs/dbraw/zinc/06/33/11/452063311.db2.gz HZOQNRWFIUOSLA-KRWDZBQOSA-N 2 2 334.464 1.584 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000649414521 452076273 /nfs/dbraw/zinc/07/62/73/452076273.db2.gz FAEVRBNNUOGRFO-RBUKOAKNSA-N 3 2 346.519 1.449 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000649414521 452076281 /nfs/dbraw/zinc/07/62/81/452076281.db2.gz FAEVRBNNUOGRFO-RBUKOAKNSA-N 3 2 346.519 1.449 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C)([NH3+])CC3)CC2)c1 ZINC000649416188 452077370 /nfs/dbraw/zinc/07/73/70/452077370.db2.gz WDDZCRHFSQHMQZ-UHFFFAOYSA-N 3 2 344.503 1.452 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)CC[C@@H]1[NH3+] ZINC000649416784 452079415 /nfs/dbraw/zinc/07/94/15/452079415.db2.gz LSYPQPISEVQNRX-ZFWWWQNUSA-N 2 2 347.488 1.991 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)CC[C@@H]1[NH3+] ZINC000649416784 452079421 /nfs/dbraw/zinc/07/94/21/452079421.db2.gz LSYPQPISEVQNRX-ZFWWWQNUSA-N 2 2 347.488 1.991 20 0 EDADLP CCc1nc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cs1 ZINC000649420775 452082754 /nfs/dbraw/zinc/08/27/54/452082754.db2.gz TXDYMAOHBUWGAM-CABCVRRESA-N 2 2 349.504 1.426 20 0 EDADLP CCc1nc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cs1 ZINC000649420775 452082757 /nfs/dbraw/zinc/08/27/57/452082757.db2.gz TXDYMAOHBUWGAM-CABCVRRESA-N 2 2 349.504 1.426 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)CC1 ZINC000653700437 452083662 /nfs/dbraw/zinc/08/36/62/452083662.db2.gz ZCTSGCDCSSEMNL-UHFFFAOYSA-N 2 2 328.460 1.771 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC=C(c3ccccn3)C2)CC1 ZINC000653700437 452083665 /nfs/dbraw/zinc/08/36/65/452083665.db2.gz ZCTSGCDCSSEMNL-UHFFFAOYSA-N 2 2 328.460 1.771 20 0 EDADLP C[NH+]1CCN([C@H](c2nc([C@@H]3CCC[NH2+]3)no2)c2ccccc2)CC1 ZINC000647150774 452090743 /nfs/dbraw/zinc/09/07/43/452090743.db2.gz NNRUACDMWIRPDI-HOTGVXAUSA-N 2 2 327.432 1.831 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762262 452101222 /nfs/dbraw/zinc/10/12/22/452101222.db2.gz LROKINUFKXVJKY-XLIONFOSSA-N 2 2 347.503 1.431 20 0 EDADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762262 452101226 /nfs/dbraw/zinc/10/12/26/452101226.db2.gz LROKINUFKXVJKY-XLIONFOSSA-N 2 2 347.503 1.431 20 0 EDADLP CC(C)C[C@@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)n1cc[nH+]c1 ZINC000637825439 452103313 /nfs/dbraw/zinc/10/33/13/452103313.db2.gz VTHUHTXYSBIXKJ-INIZCTEOSA-N 2 2 342.447 1.914 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000649483300 452105091 /nfs/dbraw/zinc/10/50/91/452105091.db2.gz HNCQBDUVXQUQSV-KURKYZTESA-N 2 2 336.524 1.203 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(C[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000649483300 452105097 /nfs/dbraw/zinc/10/50/97/452105097.db2.gz HNCQBDUVXQUQSV-KURKYZTESA-N 2 2 336.524 1.203 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639766030 452106410 /nfs/dbraw/zinc/10/64/10/452106410.db2.gz NAXFYRKURFBILW-APWZRJJASA-N 2 2 333.476 1.388 20 0 EDADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639766030 452106417 /nfs/dbraw/zinc/10/64/17/452106417.db2.gz NAXFYRKURFBILW-APWZRJJASA-N 2 2 333.476 1.388 20 0 EDADLP COc1ncncc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000647185445 452112743 /nfs/dbraw/zinc/11/27/43/452112743.db2.gz CCKOEZYPHFJMKF-GOSISDBHSA-N 2 2 328.416 1.212 20 0 EDADLP COc1ncncc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000647185445 452112745 /nfs/dbraw/zinc/11/27/45/452112745.db2.gz CCKOEZYPHFJMKF-GOSISDBHSA-N 2 2 328.416 1.212 20 0 EDADLP OCCC1CC[NH+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000637889079 452139406 /nfs/dbraw/zinc/13/94/06/452139406.db2.gz DYQLTIZBDOSKGO-UHFFFAOYSA-N 2 2 348.487 1.992 20 0 EDADLP CCC[C@@H](C)[C@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000651894163 452150886 /nfs/dbraw/zinc/15/08/86/452150886.db2.gz UICBOZIHINCUEB-AEFFLSMTSA-N 2 2 327.513 1.170 20 0 EDADLP CCC[C@@H](C)[C@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000651894163 452150891 /nfs/dbraw/zinc/15/08/91/452150891.db2.gz UICBOZIHINCUEB-AEFFLSMTSA-N 2 2 327.513 1.170 20 0 EDADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2n(n1)CCCC2 ZINC000647288744 452168191 /nfs/dbraw/zinc/16/81/91/452168191.db2.gz NMLNFQFGBOJQCF-HNNXBMFYSA-N 2 2 347.507 1.813 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](n4cccn4)C3)C2)CC1 ZINC000643406859 452190862 /nfs/dbraw/zinc/19/08/62/452190862.db2.gz GWMIMRNBGHXLDJ-WBVHZDCISA-N 2 2 346.479 1.008 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](n4cccn4)C3)C2)CC1 ZINC000643406859 452190864 /nfs/dbraw/zinc/19/08/64/452190864.db2.gz GWMIMRNBGHXLDJ-WBVHZDCISA-N 2 2 346.479 1.008 20 0 EDADLP c1cc2[nH+]ccc(N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)c2s1 ZINC000641718775 452217927 /nfs/dbraw/zinc/21/79/27/452217927.db2.gz YZAQMMHHQWACEY-HNNXBMFYSA-N 2 2 346.500 1.927 20 0 EDADLP c1cc2[nH+]ccc(N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)c2s1 ZINC000641718775 452217933 /nfs/dbraw/zinc/21/79/33/452217933.db2.gz YZAQMMHHQWACEY-HNNXBMFYSA-N 2 2 346.500 1.927 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000645232673 452224565 /nfs/dbraw/zinc/22/45/65/452224565.db2.gz LVAPHAXSVZKNSI-INIZCTEOSA-N 2 2 345.447 1.205 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)NCCc2cn3c(cccc3C)[nH+]2)C1 ZINC000645232673 452224569 /nfs/dbraw/zinc/22/45/69/452224569.db2.gz LVAPHAXSVZKNSI-INIZCTEOSA-N 2 2 345.447 1.205 20 0 EDADLP C[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056392 452225764 /nfs/dbraw/zinc/22/57/64/452225764.db2.gz YVFACWKCMDYISZ-XQLPTFJDSA-N 2 2 329.510 1.038 20 0 EDADLP C[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CCSC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056392 452225768 /nfs/dbraw/zinc/22/57/68/452225768.db2.gz YVFACWKCMDYISZ-XQLPTFJDSA-N 2 2 329.510 1.038 20 0 EDADLP C[C@@H](CNC(=O)C[NH+](C)[C@H]1CCSC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654056392 452225771 /nfs/dbraw/zinc/22/57/71/452225771.db2.gz YVFACWKCMDYISZ-XQLPTFJDSA-N 2 2 329.510 1.038 20 0 EDADLP CCn1cnnc1CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000643464802 452234744 /nfs/dbraw/zinc/23/47/44/452234744.db2.gz VOKGYMAFSYWGPM-FUHWJXTLSA-N 2 2 329.448 1.932 20 0 EDADLP Cc1cc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)nn1C ZINC000641786159 452255896 /nfs/dbraw/zinc/25/58/96/452255896.db2.gz OUEQDDVAIBAIAR-IRXDYDNUSA-N 2 2 335.496 1.176 20 0 EDADLP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641785963 452256933 /nfs/dbraw/zinc/25/69/33/452256933.db2.gz MYDKZPFTKOWTJT-DLBZAZTESA-N 2 2 333.480 1.232 20 0 EDADLP COc1cncc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1C ZINC000641786646 452259712 /nfs/dbraw/zinc/25/97/12/452259712.db2.gz QLRGHYDLIAYEJR-SFHVURJKSA-N 2 2 348.491 1.285 20 0 EDADLP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787097 452260740 /nfs/dbraw/zinc/26/07/40/452260740.db2.gz TVXHGMMBILAEOS-MSOLQXFVSA-N 2 2 341.540 1.824 20 0 EDADLP Cc1cccc([C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])[NH+]2CCOCC2)c1 ZINC000659433825 452278692 /nfs/dbraw/zinc/27/86/92/452278692.db2.gz GLZGCDNEHHVLBB-QGZVFWFLSA-N 2 2 348.491 1.747 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000639960157 452286342 /nfs/dbraw/zinc/28/63/42/452286342.db2.gz FHWJYPORVPQLAY-LJQANCHMSA-N 2 2 345.487 1.644 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000639960157 452286348 /nfs/dbraw/zinc/28/63/48/452286348.db2.gz FHWJYPORVPQLAY-LJQANCHMSA-N 2 2 345.487 1.644 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000659452410 452302251 /nfs/dbraw/zinc/30/22/51/452302251.db2.gz BDGBRNVENDVULO-STQMWFEESA-N 2 2 340.418 1.836 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000659452410 452302260 /nfs/dbraw/zinc/30/22/60/452302260.db2.gz BDGBRNVENDVULO-STQMWFEESA-N 2 2 340.418 1.836 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000665734934 452304359 /nfs/dbraw/zinc/30/43/59/452304359.db2.gz UYAIGHCGWXZXEO-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000665734934 452304370 /nfs/dbraw/zinc/30/43/70/452304370.db2.gz UYAIGHCGWXZXEO-QGZVFWFLSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(N)c3)C2)CC1 ZINC000659455681 452307379 /nfs/dbraw/zinc/30/73/79/452307379.db2.gz BYLXIFMODIZSQD-INIZCTEOSA-N 2 2 331.464 1.237 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cccc(N)c3)C2)CC1 ZINC000659455681 452307386 /nfs/dbraw/zinc/30/73/86/452307386.db2.gz BYLXIFMODIZSQD-INIZCTEOSA-N 2 2 331.464 1.237 20 0 EDADLP C[C@@H](CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+](C)C ZINC000663588704 452314341 /nfs/dbraw/zinc/31/43/41/452314341.db2.gz MADGVZPNJNYHNL-AWEZNQCLSA-N 2 2 335.452 1.058 20 0 EDADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000641833155 452316580 /nfs/dbraw/zinc/31/65/80/452316580.db2.gz DINSODQNAHNMAK-SOUVJXGZSA-N 2 2 326.485 1.220 20 0 EDADLP [NH3+]C[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)C(F)(F)F ZINC000655513663 452321098 /nfs/dbraw/zinc/32/10/98/452321098.db2.gz AYVGCLBBMDIUQD-ZDUSSCGKSA-N 2 2 331.338 1.138 20 0 EDADLP [NH3+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C(F)(F)F ZINC000655513909 452322922 /nfs/dbraw/zinc/32/29/22/452322922.db2.gz HXGGHKOOXDCWCC-CHWSQXEVSA-N 2 2 347.406 1.782 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000641888129 452340293 /nfs/dbraw/zinc/34/02/93/452340293.db2.gz MFNLHLVJKWUSBF-JKSUJKDBSA-N 2 2 344.463 1.005 20 0 EDADLP Cn1c2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2[nH+]c1C1CC1 ZINC000663612399 452343332 /nfs/dbraw/zinc/34/33/32/452343332.db2.gz RJGIGUXYPXPYIL-GOSISDBHSA-N 2 2 341.415 1.257 20 0 EDADLP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000641946710 452350924 /nfs/dbraw/zinc/35/09/24/452350924.db2.gz UFLGVQPFRNAEBV-INIZCTEOSA-N 2 2 334.464 1.568 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000638070800 452375957 /nfs/dbraw/zinc/37/59/57/452375957.db2.gz AONMVVLRAJTBMS-MSOLQXFVSA-N 2 2 332.492 1.246 20 0 EDADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000638070800 452375967 /nfs/dbraw/zinc/37/59/67/452375967.db2.gz AONMVVLRAJTBMS-MSOLQXFVSA-N 2 2 332.492 1.246 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@H](Cc2ccccc2)C1 ZINC000652214084 452407353 /nfs/dbraw/zinc/40/73/53/452407353.db2.gz SSWBKELDDZEDKM-CQSZACIVSA-N 2 2 326.391 1.149 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])[C@H](Cc2ccccc2)C1 ZINC000652214084 452407362 /nfs/dbraw/zinc/40/73/62/452407362.db2.gz SSWBKELDDZEDKM-CQSZACIVSA-N 2 2 326.391 1.149 20 0 EDADLP C[N@H+](C[C@@H]1COCCO1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000661612315 452430270 /nfs/dbraw/zinc/43/02/70/452430270.db2.gz QQYQJYXJHCOKAD-RBUKOAKNSA-N 2 2 334.460 1.625 20 0 EDADLP C[N@@H+](C[C@@H]1COCCO1)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000661612315 452430279 /nfs/dbraw/zinc/43/02/79/452430279.db2.gz QQYQJYXJHCOKAD-RBUKOAKNSA-N 2 2 334.460 1.625 20 0 EDADLP C[NH+](C[C@@H]1COCCO1)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000661612315 452430290 /nfs/dbraw/zinc/43/02/90/452430290.db2.gz QQYQJYXJHCOKAD-RBUKOAKNSA-N 2 2 334.460 1.625 20 0 EDADLP C[NH+](C[C@@H]1COCCO1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000661612315 452430299 /nfs/dbraw/zinc/43/02/99/452430299.db2.gz QQYQJYXJHCOKAD-RBUKOAKNSA-N 2 2 334.460 1.625 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661619604 452440879 /nfs/dbraw/zinc/44/08/79/452440879.db2.gz ASWJYBKNBCPYFI-HPFXQQBRSA-N 2 2 346.475 1.067 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661619604 452440884 /nfs/dbraw/zinc/44/08/84/452440884.db2.gz ASWJYBKNBCPYFI-HPFXQQBRSA-N 2 2 346.475 1.067 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)ccn12 ZINC000654392309 452445406 /nfs/dbraw/zinc/44/54/06/452445406.db2.gz SSIQCPRBURONCN-MRXNPFEDSA-N 2 2 328.416 1.580 20 0 EDADLP CCN1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1=O ZINC000652297577 452480227 /nfs/dbraw/zinc/48/02/27/452480227.db2.gz VBDXEQCQSVPRCJ-BQFCYCMXSA-N 2 2 330.476 1.750 20 0 EDADLP CCN1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1=O ZINC000652297577 452480232 /nfs/dbraw/zinc/48/02/32/452480232.db2.gz VBDXEQCQSVPRCJ-BQFCYCMXSA-N 2 2 330.476 1.750 20 0 EDADLP Cc1nc(N2CCN(C(=O)NCCC3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000652317987 452490334 /nfs/dbraw/zinc/49/03/34/452490334.db2.gz IZYKTIIWHUMMLF-UHFFFAOYSA-N 2 2 332.452 1.006 20 0 EDADLP CN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655696689 452517586 /nfs/dbraw/zinc/51/75/86/452517586.db2.gz IYVWQRIHPIZHEA-SFHVURJKSA-N 2 2 331.460 1.488 20 0 EDADLP FC1(F)Oc2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2O1 ZINC000647800798 452531366 /nfs/dbraw/zinc/53/13/66/452531366.db2.gz KOOXCHHNDDNEAY-GJZGRUSLSA-N 2 2 326.343 1.865 20 0 EDADLP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000655713332 452532155 /nfs/dbraw/zinc/53/21/55/452532155.db2.gz YQPKLMQRAIBLCU-GOSISDBHSA-N 3 2 337.508 1.474 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)Cc2ccccc2C)C[C@H]1C[NH3+] ZINC000652356963 452535449 /nfs/dbraw/zinc/53/54/49/452535449.db2.gz SZUOQADPWLAQNM-CGTJXYLNSA-N 2 2 333.476 1.338 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)Cc2ccccc2C)C[C@H]1C[NH3+] ZINC000652356963 452535459 /nfs/dbraw/zinc/53/54/59/452535459.db2.gz SZUOQADPWLAQNM-CGTJXYLNSA-N 2 2 333.476 1.338 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C(=O)N(CC)CC)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357873 452537035 /nfs/dbraw/zinc/53/70/35/452537035.db2.gz JOYPAYJZLNWARS-KZNAEPCWSA-N 2 2 333.476 1.892 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C(=O)N(CC)CC)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357873 452537039 /nfs/dbraw/zinc/53/70/39/452537039.db2.gz JOYPAYJZLNWARS-KZNAEPCWSA-N 2 2 333.476 1.892 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000647836032 452573820 /nfs/dbraw/zinc/57/38/20/452573820.db2.gz ZNXAVOYBLYIYQZ-UHFFFAOYSA-N 2 2 347.488 1.223 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000647836032 452573824 /nfs/dbraw/zinc/57/38/24/452573824.db2.gz ZNXAVOYBLYIYQZ-UHFFFAOYSA-N 2 2 347.488 1.223 20 0 EDADLP O=c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)nc2ccccn12 ZINC000655780722 452573904 /nfs/dbraw/zinc/57/39/04/452573904.db2.gz FUSCSFWBCNBFRU-INIZCTEOSA-N 2 2 328.416 1.037 20 0 EDADLP O=C(CC[NH2+][C@@H]1CCCSCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000657864878 452576108 /nfs/dbraw/zinc/57/61/08/452576108.db2.gz SEIPSUFJZIMBNO-MRXNPFEDSA-N 2 2 348.516 1.996 20 0 EDADLP C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000647845754 452579771 /nfs/dbraw/zinc/57/97/71/452579771.db2.gz IAGSOPISGZHEES-BFHYXJOUSA-N 2 2 341.463 1.740 20 0 EDADLP C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000647845754 452579780 /nfs/dbraw/zinc/57/97/80/452579780.db2.gz IAGSOPISGZHEES-BFHYXJOUSA-N 2 2 341.463 1.740 20 0 EDADLP c1coc([C@H](CNc2nc[nH+]c3c2OCCN3)[NH+]2CCCCC2)c1 ZINC000647846666 452580043 /nfs/dbraw/zinc/58/00/43/452580043.db2.gz NNQKVTAMQSUUES-ZDUSSCGKSA-N 2 2 329.404 2.513 20 0 EDADLP CC(C)[C@H](NC(=O)C[N@H+](C)CCC[NH3+])c1ccc2c(c1)OCCCO2 ZINC000647849218 452583500 /nfs/dbraw/zinc/58/35/00/452583500.db2.gz LSMCATLIINUVFE-IBGZPJMESA-N 2 2 349.475 1.942 20 0 EDADLP CC(C)[C@H](NC(=O)C[N@@H+](C)CCC[NH3+])c1ccc2c(c1)OCCCO2 ZINC000647849218 452583512 /nfs/dbraw/zinc/58/35/12/452583512.db2.gz LSMCATLIINUVFE-IBGZPJMESA-N 2 2 349.475 1.942 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)cc2[nH+]1 ZINC000657874647 452584518 /nfs/dbraw/zinc/58/45/18/452584518.db2.gz WSXOGGQSFCXYPM-STQMWFEESA-N 2 2 329.404 1.132 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)cc2[nH+]1 ZINC000657874647 452584526 /nfs/dbraw/zinc/58/45/26/452584526.db2.gz WSXOGGQSFCXYPM-STQMWFEESA-N 2 2 329.404 1.132 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cc2ccccc2[nH]1 ZINC000663868253 452592575 /nfs/dbraw/zinc/59/25/75/452592575.db2.gz WFCDXKIEGZBYIA-UHFFFAOYSA-N 2 2 331.464 1.851 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cc2ccccc2[nH]1 ZINC000663868253 452592581 /nfs/dbraw/zinc/59/25/81/452592581.db2.gz WFCDXKIEGZBYIA-UHFFFAOYSA-N 2 2 331.464 1.851 20 0 EDADLP O=C(c1ccc(F)cc1Cl)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647882593 452621442 /nfs/dbraw/zinc/62/14/42/452621442.db2.gz ACGJZOJORZFJLZ-LBPRGKRZSA-N 2 2 325.815 1.846 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000652429926 452621784 /nfs/dbraw/zinc/62/17/84/452621784.db2.gz BGLHGADEOGVNJO-MRXNPFEDSA-N 2 2 349.479 1.141 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000652429926 452621790 /nfs/dbraw/zinc/62/17/90/452621790.db2.gz BGLHGADEOGVNJO-MRXNPFEDSA-N 2 2 349.479 1.141 20 0 EDADLP Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647886696 452626296 /nfs/dbraw/zinc/62/62/96/452626296.db2.gz LTFHQLNDQUVSBZ-SJORKVTESA-N 2 2 331.460 1.516 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655912448 452669848 /nfs/dbraw/zinc/66/98/48/452669848.db2.gz NYTXSEXFWGSIIT-NWDGAFQWSA-N 2 2 341.337 1.698 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647936612 452675606 /nfs/dbraw/zinc/67/56/06/452675606.db2.gz IHULTTYMLVTURU-CRAIPNDOSA-N 2 2 333.476 1.899 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647936612 452675611 /nfs/dbraw/zinc/67/56/11/452675611.db2.gz IHULTTYMLVTURU-CRAIPNDOSA-N 2 2 333.476 1.899 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC[C@H]1[NH3+] ZINC000647938822 452678932 /nfs/dbraw/zinc/67/89/32/452678932.db2.gz VTKHWPFHOGWGDC-BFHYXJOUSA-N 2 2 330.432 1.419 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC[C@H]1[NH3+] ZINC000647938822 452678941 /nfs/dbraw/zinc/67/89/41/452678941.db2.gz VTKHWPFHOGWGDC-BFHYXJOUSA-N 2 2 330.432 1.419 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000647938836 452680155 /nfs/dbraw/zinc/68/01/55/452680155.db2.gz VXHLSMCKHIOSSH-UKRRQHHQSA-N 2 2 341.402 1.963 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)CC[C@H]1[NH3+] ZINC000647938836 452680161 /nfs/dbraw/zinc/68/01/61/452680161.db2.gz VXHLSMCKHIOSSH-UKRRQHHQSA-N 2 2 341.402 1.963 20 0 EDADLP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000661949734 452709166 /nfs/dbraw/zinc/70/91/66/452709166.db2.gz WYQZWROPZIYSHP-INIZCTEOSA-N 2 2 331.464 1.706 20 0 EDADLP CCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)C1 ZINC000661949734 452709173 /nfs/dbraw/zinc/70/91/73/452709173.db2.gz WYQZWROPZIYSHP-INIZCTEOSA-N 2 2 331.464 1.706 20 0 EDADLP C[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650207 452745447 /nfs/dbraw/zinc/74/54/47/452745447.db2.gz UUPVMLNDVXFZOC-SOUVJXGZSA-N 2 2 349.479 1.796 20 0 EDADLP C[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650207 452745456 /nfs/dbraw/zinc/74/54/56/452745456.db2.gz UUPVMLNDVXFZOC-SOUVJXGZSA-N 2 2 349.479 1.796 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cnc4ccnn4c3)[nH+]c2)C1 ZINC000648020183 452757888 /nfs/dbraw/zinc/75/78/88/452757888.db2.gz WHWWVZUAZRRODC-INIZCTEOSA-N 2 2 337.431 1.877 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000650560119 452839422 /nfs/dbraw/zinc/83/94/22/452839422.db2.gz WDFDIBRMOMBFIZ-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000650560119 452839430 /nfs/dbraw/zinc/83/94/30/452839430.db2.gz WDFDIBRMOMBFIZ-UHFFFAOYSA-N 2 2 328.501 1.374 20 0 EDADLP CO[C@H](C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)C1CCCCC1 ZINC000658330488 452850387 /nfs/dbraw/zinc/85/03/87/452850387.db2.gz SBRXZLKJQVVNJT-QGZVFWFLSA-N 2 2 325.497 1.724 20 0 EDADLP CCc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000658333630 452850988 /nfs/dbraw/zinc/85/09/88/452850988.db2.gz QCZNMQWCUCQVHB-HNNXBMFYSA-N 2 2 348.491 1.576 20 0 EDADLP CCc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658333630 452851007 /nfs/dbraw/zinc/85/10/07/452851007.db2.gz QCZNMQWCUCQVHB-HNNXBMFYSA-N 2 2 348.491 1.576 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[NH+]2CCOCC2)s1 ZINC000648152857 452863591 /nfs/dbraw/zinc/86/35/91/452863591.db2.gz INLNXWKVUTUXCY-KBXIAJHMSA-N 2 2 335.473 1.296 20 0 EDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648153452 452866217 /nfs/dbraw/zinc/86/62/17/452866217.db2.gz OJOFHMJFWMLBIB-MRXNPFEDSA-N 2 2 338.883 1.436 20 0 EDADLP COc1c(C)[nH+]cnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000656113688 452871718 /nfs/dbraw/zinc/87/17/18/452871718.db2.gz VSTPLSUUZIVTHW-UHFFFAOYSA-N 3 2 342.447 1.813 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)[C@H]1CC[N@H+](C)C1 ZINC000658363966 452876871 /nfs/dbraw/zinc/87/68/71/452876871.db2.gz XQEZPFKCMYFLSX-AWEZNQCLSA-N 2 2 343.431 1.373 20 0 EDADLP CCN(C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C)[C@H]1CC[N@@H+](C)C1 ZINC000658363966 452876880 /nfs/dbraw/zinc/87/68/80/452876880.db2.gz XQEZPFKCMYFLSX-AWEZNQCLSA-N 2 2 343.431 1.373 20 0 EDADLP C[NH+]1CCC(CC(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000643993564 452902186 /nfs/dbraw/zinc/90/21/86/452902186.db2.gz LRFJFTMNUMBSPS-UHFFFAOYSA-N 2 2 326.444 2.495 20 0 EDADLP CN(C)c1nc(NCC[N@H+](C)CCC[NH+](C)C)nc2ccccc21 ZINC000664244459 452924116 /nfs/dbraw/zinc/92/41/16/452924116.db2.gz JCIIMOYNJHJGOW-UHFFFAOYSA-N 2 2 330.480 1.991 20 0 EDADLP CN(C)c1nc(NCC[N@@H+](C)CCC[NH+](C)C)nc2ccccc21 ZINC000664244459 452924124 /nfs/dbraw/zinc/92/41/24/452924124.db2.gz JCIIMOYNJHJGOW-UHFFFAOYSA-N 2 2 330.480 1.991 20 0 EDADLP CC(C)c1ccccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658426364 452953707 /nfs/dbraw/zinc/95/37/07/452953707.db2.gz GUENMZQXSGHTBJ-UHFFFAOYSA-N 2 2 348.491 1.748 20 0 EDADLP CC(C)c1ccccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658426364 452953716 /nfs/dbraw/zinc/95/37/16/452953716.db2.gz GUENMZQXSGHTBJ-UHFFFAOYSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c(C)o1 ZINC000662252435 452979050 /nfs/dbraw/zinc/97/90/50/452979050.db2.gz LTTZFJSJYYNDON-OAHLLOKOSA-N 2 2 333.432 1.175 20 0 EDADLP O=C(c1ccc(Cl)cc1)N1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662252604 452979846 /nfs/dbraw/zinc/97/98/46/452979846.db2.gz BTNOYHUKUFYUQC-INIZCTEOSA-N 2 2 337.851 1.476 20 0 EDADLP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662252604 452979852 /nfs/dbraw/zinc/97/98/52/452979852.db2.gz BTNOYHUKUFYUQC-INIZCTEOSA-N 2 2 337.851 1.476 20 0 EDADLP O=C(C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1)N1CCc2ccccc21 ZINC000662254635 452982643 /nfs/dbraw/zinc/98/26/43/452982643.db2.gz RAIZXYBCUIRLEE-KRWDZBQOSA-N 2 2 329.444 1.276 20 0 EDADLP Cc1cc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)nc(C(C)C)[nH+]1 ZINC000662261228 452991523 /nfs/dbraw/zinc/99/15/23/452991523.db2.gz VDGNWJGUNFWMPD-MRXNPFEDSA-N 3 2 345.491 1.551 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262625 452994643 /nfs/dbraw/zinc/99/46/43/452994643.db2.gz WTJVDGSOENTNBS-KRWDZBQOSA-N 2 2 331.460 1.334 20 0 EDADLP FC(F)(F)Cn1nnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000662273528 453002781 /nfs/dbraw/zinc/00/27/81/453002781.db2.gz OBCCOJPQKQHALM-NWDGAFQWSA-N 2 2 332.374 1.447 20 0 EDADLP FC(F)(F)Cn1nnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000662273528 453002792 /nfs/dbraw/zinc/00/27/92/453002792.db2.gz OBCCOJPQKQHALM-NWDGAFQWSA-N 2 2 332.374 1.447 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)CCO1 ZINC000662323575 453041515 /nfs/dbraw/zinc/04/15/15/453041515.db2.gz NYLILQAMOLEANN-FUHWJXTLSA-N 2 2 331.460 1.983 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCc3ccccc3NC2=O)CCO1 ZINC000662323575 453041527 /nfs/dbraw/zinc/04/15/27/453041527.db2.gz NYLILQAMOLEANN-FUHWJXTLSA-N 2 2 331.460 1.983 20 0 EDADLP O=C([C@H]1CCCC[NH+]1Cc1ccccc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889991 453059559 /nfs/dbraw/zinc/05/95/59/453059559.db2.gz KVYONLISSLQYGG-RTBURBONSA-N 2 2 343.471 1.319 20 0 EDADLP O=C([C@H]1CCCC[NH+]1Cc1ccccc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889991 453059566 /nfs/dbraw/zinc/05/95/66/453059566.db2.gz KVYONLISSLQYGG-RTBURBONSA-N 2 2 343.471 1.319 20 0 EDADLP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889991 453059578 /nfs/dbraw/zinc/05/95/78/453059578.db2.gz KVYONLISSLQYGG-RTBURBONSA-N 2 2 343.471 1.319 20 0 EDADLP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652889991 453059583 /nfs/dbraw/zinc/05/95/83/453059583.db2.gz KVYONLISSLQYGG-RTBURBONSA-N 2 2 343.471 1.319 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000662377764 453085431 /nfs/dbraw/zinc/08/54/31/453085431.db2.gz QUVLEFONFKEYMI-INIZCTEOSA-N 2 2 335.448 1.346 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1CCO ZINC000655010572 453132995 /nfs/dbraw/zinc/13/29/95/453132995.db2.gz FBELNQNDSRZESP-XJKSGUPXSA-N 2 2 339.867 1.468 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1CCO ZINC000655010572 453132999 /nfs/dbraw/zinc/13/29/99/453132999.db2.gz FBELNQNDSRZESP-XJKSGUPXSA-N 2 2 339.867 1.468 20 0 EDADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000650966637 453147430 /nfs/dbraw/zinc/14/74/30/453147430.db2.gz RDKSEDNKCKXCIR-QZTJIDSGSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000650966637 453147434 /nfs/dbraw/zinc/14/74/34/453147434.db2.gz RDKSEDNKCKXCIR-QZTJIDSGSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000650966637 453147437 /nfs/dbraw/zinc/14/74/37/453147437.db2.gz RDKSEDNKCKXCIR-QZTJIDSGSA-N 2 2 346.475 1.009 20 0 EDADLP O=C(NC[C@H]1CCC[NH+]1CCCO)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000650966637 453147443 /nfs/dbraw/zinc/14/74/43/453147443.db2.gz RDKSEDNKCKXCIR-QZTJIDSGSA-N 2 2 346.475 1.009 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000660256025 453157352 /nfs/dbraw/zinc/15/73/52/453157352.db2.gz IAGQIKOYUHJYCV-DARAHFNDSA-N 2 2 330.494 1.041 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256025 453157359 /nfs/dbraw/zinc/15/73/59/453157359.db2.gz IAGQIKOYUHJYCV-DARAHFNDSA-N 2 2 330.494 1.041 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000646158345 453169175 /nfs/dbraw/zinc/16/91/75/453169175.db2.gz GFJNLPRFZQXAQT-DZGCQCFKSA-N 2 2 333.436 1.025 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000646158345 453169185 /nfs/dbraw/zinc/16/91/85/453169185.db2.gz GFJNLPRFZQXAQT-DZGCQCFKSA-N 2 2 333.436 1.025 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+](Cc2ncon2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000646158345 453169192 /nfs/dbraw/zinc/16/91/92/453169192.db2.gz GFJNLPRFZQXAQT-DZGCQCFKSA-N 2 2 333.436 1.025 20 0 EDADLP O=C(NC[C@@H]1CCC[NH+](Cc2ncon2)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000646158345 453169199 /nfs/dbraw/zinc/16/91/99/453169199.db2.gz GFJNLPRFZQXAQT-DZGCQCFKSA-N 2 2 333.436 1.025 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000660319361 453211410 /nfs/dbraw/zinc/21/14/10/453211410.db2.gz WXQBNOHZFRBRDD-MRXNPFEDSA-N 2 2 335.496 1.495 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000660319361 453211416 /nfs/dbraw/zinc/21/14/16/453211416.db2.gz WXQBNOHZFRBRDD-MRXNPFEDSA-N 2 2 335.496 1.495 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cn21 ZINC000646209525 453222456 /nfs/dbraw/zinc/22/24/56/453222456.db2.gz BPINQOZFKVOMOH-ARFHVFGLSA-N 2 2 341.459 1.873 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn21 ZINC000646209528 453222979 /nfs/dbraw/zinc/22/29/79/453222979.db2.gz BPINQOZFKVOMOH-OWCLPIDISA-N 2 2 341.459 1.873 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cn21 ZINC000646234974 453246732 /nfs/dbraw/zinc/24/67/32/453246732.db2.gz XDVNSSKOTNBFRW-HOCLYGCPSA-N 2 2 327.432 1.579 20 0 EDADLP C[NH+]1CCC2(CCN(C(=O)C3CC[NH+](CC(F)F)CC3)C2)CC1 ZINC000646246096 453252798 /nfs/dbraw/zinc/25/27/98/453252798.db2.gz SNDFKHMLYPFNNV-UHFFFAOYSA-N 2 2 329.435 1.908 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCC(=O)Nc1ccc(Cl)cc1 ZINC000653074310 453253043 /nfs/dbraw/zinc/25/30/43/453253043.db2.gz DFAKVVNUSZLLAU-CQSZACIVSA-N 2 2 340.855 1.454 20 0 EDADLP CCOCCOc1c(Cl)cccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653077808 453256070 /nfs/dbraw/zinc/25/60/70/453256070.db2.gz LPHFOGYJRQJTFF-ZDUSSCGKSA-N 2 2 343.855 1.973 20 0 EDADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662536385 453259932 /nfs/dbraw/zinc/25/99/32/453259932.db2.gz LDNHKUMZQRLBPA-JBCWJZNQSA-N 2 2 329.366 1.963 20 0 EDADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662536385 453259942 /nfs/dbraw/zinc/25/99/42/453259942.db2.gz LDNHKUMZQRLBPA-JBCWJZNQSA-N 2 2 329.366 1.963 20 0 EDADLP COc1cc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1SC ZINC000653082061 453262851 /nfs/dbraw/zinc/26/28/51/453262851.db2.gz HPXPJBYSSKRYSI-ZDUSSCGKSA-N 2 2 325.478 1.655 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000648781958 453267084 /nfs/dbraw/zinc/26/70/84/453267084.db2.gz HWZYFJJQMHYKTI-KRWDZBQOSA-N 2 2 349.523 1.931 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000648781958 453267090 /nfs/dbraw/zinc/26/70/90/453267090.db2.gz HWZYFJJQMHYKTI-KRWDZBQOSA-N 2 2 349.523 1.931 20 0 EDADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000666946539 453270622 /nfs/dbraw/zinc/27/06/22/453270622.db2.gz IAWRSSLAWQLWAL-AVGNSLFASA-N 2 2 339.411 1.711 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000653088181 453270616 /nfs/dbraw/zinc/27/06/16/453270616.db2.gz UGEBSSIJVUUZHA-KBPBESRZSA-N 2 2 339.411 1.601 20 0 EDADLP CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000662545812 453273312 /nfs/dbraw/zinc/27/33/12/453273312.db2.gz JYEZDQAZNLYKLN-CABCVRRESA-N 2 2 332.448 1.660 20 0 EDADLP C[C@H](NC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1[nH+]ccn1C ZINC000666950163 453274259 /nfs/dbraw/zinc/27/42/59/453274259.db2.gz JYFUNVGQOFQJID-RRFJBIMHSA-N 2 2 347.463 1.424 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000653108292 453292123 /nfs/dbraw/zinc/29/21/23/453292123.db2.gz QTQCUCZZBMMHMJ-ZIAGYGMSSA-N 2 2 330.432 1.813 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000666974913 453293075 /nfs/dbraw/zinc/29/30/75/453293075.db2.gz BYRPPYOWWNRZLZ-AWEZNQCLSA-N 3 2 332.452 1.728 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000666974913 453293084 /nfs/dbraw/zinc/29/30/84/453293084.db2.gz BYRPPYOWWNRZLZ-AWEZNQCLSA-N 3 2 332.452 1.728 20 0 EDADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653119197 453308825 /nfs/dbraw/zinc/30/88/25/453308825.db2.gz BCMPDGXBAARQSN-ZWKOTPCHSA-N 3 2 332.492 1.246 20 0 EDADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653119197 453308832 /nfs/dbraw/zinc/30/88/32/453308832.db2.gz BCMPDGXBAARQSN-ZWKOTPCHSA-N 3 2 332.492 1.246 20 0 EDADLP C[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662584716 453311509 /nfs/dbraw/zinc/31/15/09/453311509.db2.gz QLSVRHWJOVTTNJ-RWMBFGLXSA-N 2 2 337.489 1.621 20 0 EDADLP C[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662584716 453311515 /nfs/dbraw/zinc/31/15/15/453311515.db2.gz QLSVRHWJOVTTNJ-RWMBFGLXSA-N 2 2 337.489 1.621 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000653121797 453313304 /nfs/dbraw/zinc/31/33/04/453313304.db2.gz BUYKCPKTMBWJRE-YCPHGPKFSA-N 3 2 338.521 1.526 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000653121797 453313310 /nfs/dbraw/zinc/31/33/10/453313310.db2.gz BUYKCPKTMBWJRE-YCPHGPKFSA-N 3 2 338.521 1.526 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1nccn1CCCc1ccccc1 ZINC000653124274 453317353 /nfs/dbraw/zinc/31/73/53/453317353.db2.gz WJORNTYWJYMZLQ-KRWDZBQOSA-N 2 2 343.475 1.411 20 0 EDADLP O=c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nc(C2CC2)[nH]1 ZINC000660472080 453332218 /nfs/dbraw/zinc/33/22/18/453332218.db2.gz BYKPUGXKZBQVGF-MRXNPFEDSA-N 2 2 332.448 1.746 20 0 EDADLP O=c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nc(C2CC2)[nH]1 ZINC000660472080 453332226 /nfs/dbraw/zinc/33/22/26/453332226.db2.gz BYKPUGXKZBQVGF-MRXNPFEDSA-N 2 2 332.448 1.746 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[C@H](C)[N@H+]1C ZINC000653147681 453334100 /nfs/dbraw/zinc/33/41/00/453334100.db2.gz FPUQLWCMLMTMDC-OKILXGFUSA-N 2 2 328.420 1.883 20 0 EDADLP C[C@@H]1CN(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)C[C@H](C)[N@@H+]1C ZINC000653147681 453334107 /nfs/dbraw/zinc/33/41/07/453334107.db2.gz FPUQLWCMLMTMDC-OKILXGFUSA-N 2 2 328.420 1.883 20 0 EDADLP Cc1nn(C)c(C)c1[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(F)(F)F ZINC000653156503 453346301 /nfs/dbraw/zinc/34/63/01/453346301.db2.gz CPHRNAHFPZCVAZ-CMPLNLGQSA-N 2 2 335.374 1.036 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000653156541 453347497 /nfs/dbraw/zinc/34/74/97/453347497.db2.gz DXRKHUKZZUOZGS-CABCVRRESA-N 2 2 343.830 1.658 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(C(C)(C)[NH3+])no2)C[C@H](C)O1 ZINC000662670679 453385121 /nfs/dbraw/zinc/38/51/21/453385121.db2.gz GQFBQVGLEHDOJN-TXEJJXNPSA-N 2 2 338.452 1.486 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(C(C)(C)[NH3+])no2)C[C@H](C)O1 ZINC000662670679 453385136 /nfs/dbraw/zinc/38/51/36/453385136.db2.gz GQFBQVGLEHDOJN-TXEJJXNPSA-N 2 2 338.452 1.486 20 0 EDADLP C[C@H](c1cccc(NC(=O)NC[C@H]2CCC[NH2+]2)c1)[NH+]1CCOCC1 ZINC000667075650 453390193 /nfs/dbraw/zinc/39/01/93/453390193.db2.gz ZSIVEGPZTBYAGW-RHSMWYFYSA-N 2 2 332.448 1.953 20 0 EDADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000662709265 453432295 /nfs/dbraw/zinc/43/22/95/453432295.db2.gz YEAAESGIVCFHLJ-KZNAEPCWSA-N 2 2 343.471 1.754 20 0 EDADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000646500376 453444598 /nfs/dbraw/zinc/44/45/98/453444598.db2.gz LFKZGENRJVXXQU-GOEBONIOSA-N 2 2 345.472 1.518 20 0 EDADLP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000646500376 453444608 /nfs/dbraw/zinc/44/46/08/453444608.db2.gz LFKZGENRJVXXQU-GOEBONIOSA-N 2 2 345.472 1.518 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CC(C)(C)[NH3+])c2)CC1 ZINC000646518032 453450450 /nfs/dbraw/zinc/45/04/50/453450450.db2.gz LGPIXIHMQOQDON-UHFFFAOYSA-N 2 2 332.448 1.417 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000651322341 453468994 /nfs/dbraw/zinc/46/89/94/453468994.db2.gz NMNJBOAWGHEBLN-OAHLLOKOSA-N 3 2 345.491 1.047 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000651322341 453469000 /nfs/dbraw/zinc/46/90/00/453469000.db2.gz NMNJBOAWGHEBLN-OAHLLOKOSA-N 3 2 345.491 1.047 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660652292 453490198 /nfs/dbraw/zinc/49/01/98/453490198.db2.gz ILCNEOGPVQTCAE-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660652292 453490204 /nfs/dbraw/zinc/49/02/04/453490204.db2.gz ILCNEOGPVQTCAE-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660652292 453490210 /nfs/dbraw/zinc/49/02/10/453490210.db2.gz ILCNEOGPVQTCAE-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP COc1cccc(CNC(=O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660652292 453490218 /nfs/dbraw/zinc/49/02/18/453490218.db2.gz ILCNEOGPVQTCAE-IBGZPJMESA-N 2 2 331.460 1.729 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c(C)[nH+]1 ZINC000658999957 453574660 /nfs/dbraw/zinc/57/46/60/453574660.db2.gz OPBNQAMPZWMUKQ-HNNXBMFYSA-N 2 2 348.447 1.206 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)NCc2ccc3c[nH+]cn3c2)[C@@H](C)CO1 ZINC000665111198 453577811 /nfs/dbraw/zinc/57/78/11/453577811.db2.gz WAAKNDJJZFWNPZ-KBPBESRZSA-N 2 2 331.420 1.243 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2ccc3c[nH+]cn3c2)[C@@H](C)CO1 ZINC000665111198 453577816 /nfs/dbraw/zinc/57/78/16/453577816.db2.gz WAAKNDJJZFWNPZ-KBPBESRZSA-N 2 2 331.420 1.243 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CCC([NH+](C)C)CC2)[C@H](C)CO1 ZINC000665172020 453600606 /nfs/dbraw/zinc/60/06/06/453600606.db2.gz BAPYOQSJMIMTSJ-WXLSXGNJSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CCC([NH+](C)C)CC2)[C@H](C)CO1 ZINC000665172020 453600610 /nfs/dbraw/zinc/60/06/10/453600610.db2.gz BAPYOQSJMIMTSJ-WXLSXGNJSA-N 2 2 326.485 1.268 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCC(C)CC1 ZINC000660846560 453603964 /nfs/dbraw/zinc/60/39/64/453603964.db2.gz HTCBENWBIPIJSB-IRXDYDNUSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665240855 453621131 /nfs/dbraw/zinc/62/11/31/453621131.db2.gz ULJGFERAHQFCSK-LZQZEXGQSA-N 2 2 333.476 1.110 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000665240855 453621135 /nfs/dbraw/zinc/62/11/35/453621135.db2.gz ULJGFERAHQFCSK-LZQZEXGQSA-N 2 2 333.476 1.110 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000665283984 453635693 /nfs/dbraw/zinc/63/56/93/453635693.db2.gz YKACDDZKLKIIRC-RBUKOAKNSA-N 3 2 334.508 1.146 20 0 EDADLP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000665283984 453635694 /nfs/dbraw/zinc/63/56/94/453635694.db2.gz YKACDDZKLKIIRC-RBUKOAKNSA-N 3 2 334.508 1.146 20 0 EDADLP Cc1ccc(F)cc1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071150 453661435 /nfs/dbraw/zinc/66/14/35/453661435.db2.gz HFYYKHONBJGFQA-AWEZNQCLSA-N 2 2 345.484 1.684 20 0 EDADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000659284023 453700350 /nfs/dbraw/zinc/70/03/50/453700350.db2.gz BGXIFQXZRFPTIZ-HNNXBMFYSA-N 2 2 337.489 1.926 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000665462146 453701886 /nfs/dbraw/zinc/70/18/86/453701886.db2.gz GOTWXOKAQBUHBF-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000665462146 453701889 /nfs/dbraw/zinc/70/18/89/453701889.db2.gz GOTWXOKAQBUHBF-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000665462146 453701890 /nfs/dbraw/zinc/70/18/90/453701890.db2.gz GOTWXOKAQBUHBF-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000665462146 453701892 /nfs/dbraw/zinc/70/18/92/453701892.db2.gz GOTWXOKAQBUHBF-WMZOPIPTSA-N 2 2 331.460 1.728 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657333037 453767944 /nfs/dbraw/zinc/76/79/44/453767944.db2.gz UCPUSZOYWHBQTQ-UHFFFAOYSA-N 2 2 326.448 1.266 20 0 EDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657333037 453767947 /nfs/dbraw/zinc/76/79/47/453767947.db2.gz UCPUSZOYWHBQTQ-UHFFFAOYSA-N 3 2 326.448 1.266 20 0 EDADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc[nH+]c3N3CCCC3)[C@H]2C1 ZINC000665617635 453768551 /nfs/dbraw/zinc/76/85/51/453768551.db2.gz QHMYWWKHUCWTPG-WBVHZDCISA-N 2 2 343.475 1.917 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000665619239 453769357 /nfs/dbraw/zinc/76/93/57/453769357.db2.gz SLIFZGKXINVLKT-UHFFFAOYSA-N 2 2 349.479 1.401 20 0 EDADLP c1c2ccncc2sc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657362817 453775037 /nfs/dbraw/zinc/77/50/37/453775037.db2.gz IWBRMCRIYMPWCF-MRXNPFEDSA-N 2 2 346.500 1.792 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000663412318 453791726 /nfs/dbraw/zinc/79/17/26/453791726.db2.gz OYRPDFGZQYLBFY-CQSZACIVSA-N 2 2 339.484 1.511 20 0 EDADLP COCC[NH+]1CCC(Nc2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663431470 453796702 /nfs/dbraw/zinc/79/67/02/453796702.db2.gz IGUXJCNLSCXFNT-UHFFFAOYSA-N 2 2 349.479 1.351 20 0 EDADLP COc1cccc([C@H](CNC(=O)N(C)Cc2c[nH+]c[nH]2)[NH+](C)C)c1 ZINC000663449581 453801619 /nfs/dbraw/zinc/80/16/19/453801619.db2.gz PYZIBYYRWGWNJV-INIZCTEOSA-N 2 2 331.420 1.863 20 0 EDADLP COc1cccc([C@H](CNC(=O)N(C)Cc2c[nH]c[nH+]2)[NH+](C)C)c1 ZINC000663449581 453801621 /nfs/dbraw/zinc/80/16/21/453801621.db2.gz PYZIBYYRWGWNJV-INIZCTEOSA-N 2 2 331.420 1.863 20 0 EDADLP CO[C@]1(CO)CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661389456 453805444 /nfs/dbraw/zinc/80/54/44/453805444.db2.gz KKQCQTCGCZEHDQ-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP CO[C@]1(CO)CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000661389456 453805446 /nfs/dbraw/zinc/80/54/46/453805446.db2.gz KKQCQTCGCZEHDQ-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP CO[C@]1(CO)CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000661389456 453805447 /nfs/dbraw/zinc/80/54/47/453805447.db2.gz KKQCQTCGCZEHDQ-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP CO[C@]1(CO)CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000661389456 453805449 /nfs/dbraw/zinc/80/54/49/453805449.db2.gz KKQCQTCGCZEHDQ-WOJBJXKFSA-N 2 2 348.487 1.751 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661403649 453812273 /nfs/dbraw/zinc/81/22/73/453812273.db2.gz MTAHZOGZGSNVJW-OAGGEKHMSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661403649 453812274 /nfs/dbraw/zinc/81/22/74/453812274.db2.gz MTAHZOGZGSNVJW-OAGGEKHMSA-N 2 2 338.496 1.364 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000683358844 486696907 /nfs/dbraw/zinc/69/69/07/486696907.db2.gz DRSIQTQUGKAECD-MRXNPFEDSA-N 2 2 325.478 1.974 20 0 EDADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000683358844 486696911 /nfs/dbraw/zinc/69/69/11/486696911.db2.gz DRSIQTQUGKAECD-MRXNPFEDSA-N 2 2 325.478 1.974 20 0 EDADLP [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000414957582 486734681 /nfs/dbraw/zinc/73/46/81/486734681.db2.gz QDNJUYVZKNYIIY-HOTGVXAUSA-N 2 2 332.448 1.910 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)C3CC[NH+](C)CC3)CC2)cc[nH+]1 ZINC000680610015 486828741 /nfs/dbraw/zinc/82/87/41/486828741.db2.gz OWHAABFCLTXBKA-AWEZNQCLSA-N 2 2 346.479 1.347 20 0 EDADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000676639388 486830339 /nfs/dbraw/zinc/83/03/39/486830339.db2.gz KZPWYUYKTZMYHY-CYBMUJFWSA-N 2 2 348.447 1.078 20 0 EDADLP C[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000667559815 486846423 /nfs/dbraw/zinc/84/64/23/486846423.db2.gz UIVCEPKKSFSJAU-LBPRGKRZSA-N 2 2 341.415 1.288 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(COC)cs2)CC1 ZINC000667592976 486862631 /nfs/dbraw/zinc/86/26/31/486862631.db2.gz MHPYNRGXPXDKDG-UHFFFAOYSA-N 2 2 339.505 1.881 20 0 EDADLP O=C1C[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)CN1CC[NH+]1CCOCC1 ZINC000683928780 486869939 /nfs/dbraw/zinc/86/99/39/486869939.db2.gz CIZTXYHVFRAJMR-QGZVFWFLSA-N 2 2 342.443 1.191 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000677052546 486965329 /nfs/dbraw/zinc/96/53/29/486965329.db2.gz JINIVGUFHLWMNB-JKSUJKDBSA-N 2 2 329.448 1.444 20 0 EDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000677052546 486965337 /nfs/dbraw/zinc/96/53/37/486965337.db2.gz JINIVGUFHLWMNB-JKSUJKDBSA-N 2 2 329.448 1.444 20 0 EDADLP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000667791759 486966748 /nfs/dbraw/zinc/96/67/48/486966748.db2.gz MQCVWUASPPGJQA-UHFFFAOYSA-N 2 2 341.415 1.670 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000677050419 486964977 /nfs/dbraw/zinc/96/49/77/486964977.db2.gz KTQWHURMEYDHJW-HNNXBMFYSA-N 2 2 328.420 1.636 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684179275 486970581 /nfs/dbraw/zinc/97/05/81/486970581.db2.gz PGTDUXPHMJYMPW-HOCLYGCPSA-N 2 2 330.407 1.989 20 0 EDADLP Cc1cccn2cc(CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[nH+]c12 ZINC000667867398 486996793 /nfs/dbraw/zinc/99/67/93/486996793.db2.gz IBEZRAXRGOCYDU-LBPRGKRZSA-N 2 2 343.353 1.764 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CO)CC3CC3)CC2)CC1 ZINC000677270704 487026068 /nfs/dbraw/zinc/02/60/68/487026068.db2.gz BBWCXJIXUCNBOZ-MRXNPFEDSA-N 2 2 338.496 1.005 20 0 EDADLP CO[C@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000667954433 487030569 /nfs/dbraw/zinc/03/05/69/487030569.db2.gz GTYNXNHBYPUSSJ-DLBZAZTESA-N 2 2 325.497 1.674 20 0 EDADLP CO[C@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000667954433 487030573 /nfs/dbraw/zinc/03/05/73/487030573.db2.gz GTYNXNHBYPUSSJ-DLBZAZTESA-N 2 2 325.497 1.674 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673668236 487084582 /nfs/dbraw/zinc/08/45/82/487084582.db2.gz IYBOUALBQZQGHC-LJQANCHMSA-N 2 2 336.395 1.910 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000673668236 487084585 /nfs/dbraw/zinc/08/45/85/487084585.db2.gz IYBOUALBQZQGHC-LJQANCHMSA-N 2 2 336.395 1.910 20 0 EDADLP COc1cc2c(cc1OC)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)CC2 ZINC000684552053 487096305 /nfs/dbraw/zinc/09/63/05/487096305.db2.gz HWZPSKHQGJISSW-OAHLLOKOSA-N 2 2 333.432 1.055 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CCSC1 ZINC000673965914 487171541 /nfs/dbraw/zinc/17/15/41/487171541.db2.gz MBAHLQNAORLWPD-SJLPKXTDSA-N 2 2 348.516 1.600 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CCSC1 ZINC000673965914 487171545 /nfs/dbraw/zinc/17/15/45/487171545.db2.gz MBAHLQNAORLWPD-SJLPKXTDSA-N 2 2 348.516 1.600 20 0 EDADLP C[C@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677905051 487197851 /nfs/dbraw/zinc/19/78/51/487197851.db2.gz JHSYNBBMJALVBJ-GOEBONIOSA-N 2 2 345.447 1.787 20 0 EDADLP C[C@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677905051 487197853 /nfs/dbraw/zinc/19/78/53/487197853.db2.gz JHSYNBBMJALVBJ-GOEBONIOSA-N 2 2 345.447 1.787 20 0 EDADLP CNC(=O)Cc1noc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000674230209 487218602 /nfs/dbraw/zinc/21/86/02/487218602.db2.gz QGAPGWDBLQSHOS-UHFFFAOYSA-N 2 2 349.479 1.446 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678051706 487234962 /nfs/dbraw/zinc/23/49/62/487234962.db2.gz RHZSHDWJKPJQJA-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH+](C)CC1 ZINC000678051706 487234966 /nfs/dbraw/zinc/23/49/66/487234966.db2.gz RHZSHDWJKPJQJA-ROUUACIJSA-N 2 2 344.503 1.355 20 0 EDADLP CO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000674673964 487295935 /nfs/dbraw/zinc/29/59/35/487295935.db2.gz TVZNDAKIQDHUFJ-FVQBIDKESA-N 2 2 338.496 1.268 20 0 EDADLP CO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1(C)C ZINC000674673964 487295940 /nfs/dbraw/zinc/29/59/40/487295940.db2.gz TVZNDAKIQDHUFJ-FVQBIDKESA-N 2 2 338.496 1.268 20 0 EDADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[NH2+]C(C)C)CC2)c1 ZINC000674681035 487296982 /nfs/dbraw/zinc/29/69/82/487296982.db2.gz KLUYNSPZVLGVMJ-UHFFFAOYSA-N 2 2 335.448 1.346 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000685743798 487317330 /nfs/dbraw/zinc/31/73/30/487317330.db2.gz VIYIMJPDDPJYBM-GOSISDBHSA-N 2 2 342.443 1.311 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000685743798 487317334 /nfs/dbraw/zinc/31/73/34/487317334.db2.gz VIYIMJPDDPJYBM-GOSISDBHSA-N 2 2 342.443 1.311 20 0 EDADLP CCc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1C ZINC000685786121 487323286 /nfs/dbraw/zinc/32/32/86/487323286.db2.gz ZMOAAIVHRVUQTE-INIZCTEOSA-N 2 2 332.492 1.828 20 0 EDADLP CCc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1C ZINC000685786121 487323288 /nfs/dbraw/zinc/32/32/88/487323288.db2.gz ZMOAAIVHRVUQTE-INIZCTEOSA-N 2 2 332.492 1.828 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000682295994 487341056 /nfs/dbraw/zinc/34/10/56/487341056.db2.gz TUXLFFBBIOJKFG-ZFWWWQNUSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000682295994 487341060 /nfs/dbraw/zinc/34/10/60/487341060.db2.gz TUXLFFBBIOJKFG-ZFWWWQNUSA-N 2 2 341.415 1.216 20 0 EDADLP COC1(C)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000678720927 487357320 /nfs/dbraw/zinc/35/73/20/487357320.db2.gz ZUFJKSKDNRIMDJ-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP COC1(C)CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000678720927 487357322 /nfs/dbraw/zinc/35/73/22/487357322.db2.gz ZUFJKSKDNRIMDJ-HNNXBMFYSA-N 2 2 338.496 1.365 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682512703 487378961 /nfs/dbraw/zinc/37/89/61/487378961.db2.gz MKFWVWCWYDIMPS-OAGGEKHMSA-N 2 2 332.448 1.205 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000675187329 487386211 /nfs/dbraw/zinc/38/62/11/487386211.db2.gz RCRWEHPEFKNIOO-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CSc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1F ZINC000675782273 487443600 /nfs/dbraw/zinc/44/36/00/487443600.db2.gz PVBZXYNWMTZPRM-GFCCVEGCSA-N 2 2 325.453 1.972 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000676025727 487466469 /nfs/dbraw/zinc/46/64/69/487466469.db2.gz BUCABOVQAYIRNF-OAHLLOKOSA-N 2 2 328.372 1.243 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(c2cccc(O)c2)C1=O ZINC000676025727 487466471 /nfs/dbraw/zinc/46/64/71/487466471.db2.gz BUCABOVQAYIRNF-OAHLLOKOSA-N 2 2 328.372 1.243 20 0 EDADLP O=C(N1CC[NH+](Cc2ccncc2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000324291761 485529991 /nfs/dbraw/zinc/52/99/91/485529991.db2.gz SHXNQQISBFPFNK-OAHLLOKOSA-N 2 2 342.365 1.268 20 0 EDADLP CC1(C)CNC(=O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000669718576 485539013 /nfs/dbraw/zinc/53/90/13/485539013.db2.gz ODKGVKLZZMYNSA-UHFFFAOYSA-N 2 2 331.460 1.872 20 0 EDADLP CC1(C)CNC(=O)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000669718576 485539019 /nfs/dbraw/zinc/53/90/19/485539019.db2.gz ODKGVKLZZMYNSA-UHFFFAOYSA-N 2 2 331.460 1.872 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985613 485608658 /nfs/dbraw/zinc/60/86/58/485608658.db2.gz FRGDSSNTYXUQSZ-LJQANCHMSA-N 2 2 345.487 1.798 20 0 EDADLP Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985613 485608666 /nfs/dbraw/zinc/60/86/66/485608666.db2.gz FRGDSSNTYXUQSZ-LJQANCHMSA-N 2 2 345.487 1.798 20 0 EDADLP C[N@H+](CCC[NH2+]Cc1ccc(S(N)(=O)=O)o1)Cc1ccccc1 ZINC000303147804 485679915 /nfs/dbraw/zinc/67/99/15/485679915.db2.gz ICOYEGVVAYVCTL-UHFFFAOYSA-N 2 2 337.445 1.539 20 0 EDADLP C[N@@H+](CCC[NH2+]Cc1ccc(S(N)(=O)=O)o1)Cc1ccccc1 ZINC000303147804 485679926 /nfs/dbraw/zinc/67/99/26/485679926.db2.gz ICOYEGVVAYVCTL-UHFFFAOYSA-N 2 2 337.445 1.539 20 0 EDADLP CCC(=O)N1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000089137938 485691817 /nfs/dbraw/zinc/69/18/17/485691817.db2.gz JPOWQOAWSQCQME-LJQANCHMSA-N 2 2 345.487 1.396 20 0 EDADLP CCC(=O)N1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000089137938 485691824 /nfs/dbraw/zinc/69/18/24/485691824.db2.gz JPOWQOAWSQCQME-LJQANCHMSA-N 2 2 345.487 1.396 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1([NH+](C)C)CC1 ZINC000669118150 485697246 /nfs/dbraw/zinc/69/72/46/485697246.db2.gz SXVBVOAGJYIGMU-MRXNPFEDSA-N 2 2 330.476 1.408 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000668505764 485819263 /nfs/dbraw/zinc/81/92/63/485819263.db2.gz DERXMXCGUHTPBH-BSWAZPDLSA-N 2 2 344.521 1.431 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2ccc(CO)cc2)([NH+]2CCCCC2)CC1 ZINC000669252663 485859446 /nfs/dbraw/zinc/85/94/46/485859446.db2.gz OKGPJHBVLQSAQB-UHFFFAOYSA-N 2 2 345.487 1.859 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1CCC[NH+](C2CC2)[C@H]1c1ccnn1C ZINC000343395740 485931255 /nfs/dbraw/zinc/93/12/55/485931255.db2.gz IUOQOVZQPVMGPK-WXSAJPJJSA-N 2 2 331.508 1.875 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CCC[NH+](C2CC2)[C@H]1c1ccnn1C ZINC000343395740 485931262 /nfs/dbraw/zinc/93/12/62/485931262.db2.gz IUOQOVZQPVMGPK-WXSAJPJJSA-N 2 2 331.508 1.875 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000343395740 485931268 /nfs/dbraw/zinc/93/12/68/485931268.db2.gz IUOQOVZQPVMGPK-WXSAJPJJSA-N 2 2 331.508 1.875 20 0 EDADLP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000343395740 485931271 /nfs/dbraw/zinc/93/12/71/485931271.db2.gz IUOQOVZQPVMGPK-WXSAJPJJSA-N 2 2 331.508 1.875 20 0 EDADLP CN(C)c1ccc(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)c[nH+]1 ZINC000343726008 485937152 /nfs/dbraw/zinc/93/71/52/485937152.db2.gz FLIKQKCOBOWKDN-AEFFLSMTSA-N 2 2 346.475 1.511 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000345917995 485985132 /nfs/dbraw/zinc/98/51/32/485985132.db2.gz RRHRLKXDYLEPED-BBWFWOEESA-N 2 2 346.475 1.483 20 0 EDADLP CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667464554 486013136 /nfs/dbraw/zinc/01/31/36/486013136.db2.gz UVFLFRAWAUIHIU-CQSZACIVSA-N 2 2 349.460 1.029 20 0 EDADLP CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667464554 486013138 /nfs/dbraw/zinc/01/31/38/486013138.db2.gz UVFLFRAWAUIHIU-CQSZACIVSA-N 2 2 349.460 1.029 20 0 EDADLP CC[C@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1[NH3+] ZINC000669388006 486022493 /nfs/dbraw/zinc/02/24/93/486022493.db2.gz QWXODVLXVVAHPP-HOCLYGCPSA-N 2 2 331.464 1.819 20 0 EDADLP Cc1ccn2cc(CNC(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)[nH+]c2c1 ZINC000669402265 486071351 /nfs/dbraw/zinc/07/13/51/486071351.db2.gz BXYLXXSLMPZPOP-JKSUJKDBSA-N 2 2 327.432 1.830 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)Nc2ccc3[nH+]ccn3c2)CC1(C)C ZINC000669423414 486144022 /nfs/dbraw/zinc/14/40/22/486144022.db2.gz OHZJDMMYUGMCQS-UHFFFAOYSA-N 2 2 330.436 1.482 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)Nc2ccc3[nH+]ccn3c2)CC1(C)C ZINC000669423414 486144025 /nfs/dbraw/zinc/14/40/25/486144025.db2.gz OHZJDMMYUGMCQS-UHFFFAOYSA-N 2 2 330.436 1.482 20 0 EDADLP CC(C)COC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000669438392 486195994 /nfs/dbraw/zinc/19/59/94/486195994.db2.gz BSZHPIQVPZKKFE-HUUCEWRRSA-N 2 2 338.452 1.278 20 0 EDADLP CC(C)COC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000669438392 486195998 /nfs/dbraw/zinc/19/59/98/486195998.db2.gz BSZHPIQVPZKKFE-HUUCEWRRSA-N 2 2 338.452 1.278 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)C1 ZINC000668817907 486225406 /nfs/dbraw/zinc/22/54/06/486225406.db2.gz BYTBHKKWQMEUAH-XHSDSOJGSA-N 2 2 348.491 1.768 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)C1 ZINC000668817907 486225412 /nfs/dbraw/zinc/22/54/12/486225412.db2.gz BYTBHKKWQMEUAH-XHSDSOJGSA-N 2 2 348.491 1.768 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C1 ZINC000668817907 486225417 /nfs/dbraw/zinc/22/54/17/486225417.db2.gz BYTBHKKWQMEUAH-XHSDSOJGSA-N 2 2 348.491 1.768 20 0 EDADLP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C1 ZINC000668817907 486225422 /nfs/dbraw/zinc/22/54/22/486225422.db2.gz BYTBHKKWQMEUAH-XHSDSOJGSA-N 2 2 348.491 1.768 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)[nH+]c1 ZINC000672729146 486354795 /nfs/dbraw/zinc/35/47/95/486354795.db2.gz HZFSOAJPADNSQP-UHFFFAOYSA-N 2 2 349.479 1.290 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)[nH+]c1 ZINC000672729146 486354799 /nfs/dbraw/zinc/35/47/99/486354799.db2.gz HZFSOAJPADNSQP-UHFFFAOYSA-N 2 2 349.479 1.290 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000517100254 486633610 /nfs/dbraw/zinc/63/36/10/486633610.db2.gz ODFVAJFGIFYNMU-WMLDXEAASA-N 2 2 345.422 1.752 20 0 EDADLP Cc1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(Br)c(C)[nH+]1 ZINC000405269723 486642806 /nfs/dbraw/zinc/64/28/06/486642806.db2.gz NWQRUBAFPQFGOI-WDEREUQCSA-N 2 2 327.226 1.111 20 0 EDADLP Cc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(Br)c(C)[nH+]1 ZINC000405269723 486642811 /nfs/dbraw/zinc/64/28/11/486642811.db2.gz NWQRUBAFPQFGOI-WDEREUQCSA-N 2 2 327.226 1.111 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000517514708 486649565 /nfs/dbraw/zinc/64/95/65/486649565.db2.gz DRHXWOOFKKCEIT-RRFJBIMHSA-N 2 2 335.452 1.545 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)C1 ZINC000517514708 486649567 /nfs/dbraw/zinc/64/95/67/486649567.db2.gz DRHXWOOFKKCEIT-RRFJBIMHSA-N 2 2 335.452 1.545 20 0 EDADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CC[NH+](C)CC1 ZINC000133734223 491222382 /nfs/dbraw/zinc/22/23/82/491222382.db2.gz OMXSOAIQJJMQNR-KRWDZBQOSA-N 3 2 346.523 1.309 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568165382 490999663 /nfs/dbraw/zinc/99/96/63/490999663.db2.gz MFGSWXUOQJILOX-ZIAGYGMSSA-N 2 2 347.463 1.756 20 0 EDADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568165382 490999664 /nfs/dbraw/zinc/99/96/64/490999664.db2.gz MFGSWXUOQJILOX-ZIAGYGMSSA-N 2 2 347.463 1.756 20 0 EDADLP COc1cc(C[NH+]2CCN(C(=O)[C@H](C)[NH+](C)C)CC2)cc(OC)c1 ZINC000078760167 491002622 /nfs/dbraw/zinc/00/26/22/491002622.db2.gz MWDLUTWNGABEKG-AWEZNQCLSA-N 2 2 335.448 1.298 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000420364658 491006256 /nfs/dbraw/zinc/00/62/56/491006256.db2.gz KJQFLRUCOZAEOM-UVWXRNBGSA-N 2 2 348.403 1.040 20 0 EDADLP Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000081480976 491178316 /nfs/dbraw/zinc/17/83/16/491178316.db2.gz AYOTZUNMDNNNOB-HOTGVXAUSA-N 2 2 328.416 1.151 20 0 EDADLP Cn1cc[nH+]c1C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000081480976 491178318 /nfs/dbraw/zinc/17/83/18/491178318.db2.gz AYOTZUNMDNNNOB-HOTGVXAUSA-N 2 2 328.416 1.151 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418420752 500932251 /nfs/dbraw/zinc/93/22/51/500932251.db2.gz ZQCPUMMDLQANPD-JFIYKMOQSA-N 2 2 345.491 1.987 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CC3(O)CCOCC3)c2cc1C ZINC000187116020 534139450 /nfs/dbraw/zinc/13/94/50/534139450.db2.gz GPMXTKZDMAAUSV-INIZCTEOSA-N 2 2 347.459 1.487 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CC3(O)CCOCC3)c2cc1C ZINC000187116020 534139459 /nfs/dbraw/zinc/13/94/59/534139459.db2.gz GPMXTKZDMAAUSV-INIZCTEOSA-N 2 2 347.459 1.487 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173805270 534687167 /nfs/dbraw/zinc/68/71/67/534687167.db2.gz GXTBBUWPXSHEIO-MRXNPFEDSA-N 2 2 338.415 1.423 20 0 EDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000176904031 528037249 /nfs/dbraw/zinc/03/72/49/528037249.db2.gz PJACPPXTQMBFNI-QGZVFWFLSA-N 2 2 330.432 1.959 20 0 EDADLP CC[NH+](CC)[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000174509064 528284765 /nfs/dbraw/zinc/28/47/65/528284765.db2.gz RORFGIBTRICQKP-HNNXBMFYSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000171743037 529362843 /nfs/dbraw/zinc/36/28/43/529362843.db2.gz GRQBPVQBIIIQRC-GOSISDBHSA-N 2 2 346.519 1.651 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000171743037 529362844 /nfs/dbraw/zinc/36/28/44/529362844.db2.gz GRQBPVQBIIIQRC-GOSISDBHSA-N 2 2 346.519 1.651 20 0 EDADLP CC1(C)[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)[C@@H]2CCCO[C@@H]21 ZINC000344128793 535069791 /nfs/dbraw/zinc/06/97/91/535069791.db2.gz IWFRDJFRSRETCZ-KSZLIROESA-N 2 2 339.524 1.170 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000247094301 535139187 /nfs/dbraw/zinc/13/91/87/535139187.db2.gz JOQPUHNZOVLJRZ-IXDOHACOSA-N 2 2 340.512 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/nfs/dbraw/zinc/45/73/11/535457311.db2.gz VDPRGUAPXPRWKG-UHFFFAOYSA-N 2 2 344.503 1.581 20 0 EDADLP CC[C@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)CCC[NH2+]1 ZINC000248703835 535880975 /nfs/dbraw/zinc/88/09/75/535880975.db2.gz GZCOQMMIWCVCCR-KBXCAEBGSA-N 2 2 332.448 1.455 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CSC[NH2+]3)nc2)CC1 ZINC000262640149 536114985 /nfs/dbraw/zinc/11/49/85/536114985.db2.gz HFKVGKUPIXFEAA-AWEZNQCLSA-N 2 2 335.477 1.213 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000270944072 536132590 /nfs/dbraw/zinc/13/25/90/536132590.db2.gz RVMWCKPIOXHUSZ-FUHWJXTLSA-N 2 2 347.459 1.160 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000270944072 536132593 /nfs/dbraw/zinc/13/25/93/536132593.db2.gz RVMWCKPIOXHUSZ-FUHWJXTLSA-N 2 2 347.459 1.160 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000247436740 536173628 /nfs/dbraw/zinc/17/36/28/536173628.db2.gz ZFZLUGXHSHMZIV-BZUAXINKSA-N 2 2 334.464 1.718 20 0 EDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000247436740 536173634 /nfs/dbraw/zinc/17/36/34/536173634.db2.gz ZFZLUGXHSHMZIV-BZUAXINKSA-N 2 2 334.464 1.718 20 0 EDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCC[C@@H]1O ZINC000270217968 536303484 /nfs/dbraw/zinc/30/34/84/536303484.db2.gz YWVLYCFTOUPOGA-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CCC[C@@H]1O ZINC000270217968 536303488 /nfs/dbraw/zinc/30/34/88/536303488.db2.gz YWVLYCFTOUPOGA-SJORKVTESA-N 2 2 346.475 1.213 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000352898059 536346014 /nfs/dbraw/zinc/34/60/14/536346014.db2.gz DCFNEEYMGJBTEO-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP CN(CCC[NH+]1CCCC1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352898059 536346016 /nfs/dbraw/zinc/34/60/16/536346016.db2.gz DCFNEEYMGJBTEO-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000089424557 536390272 /nfs/dbraw/zinc/39/02/72/536390272.db2.gz NBMQPMHKHBZNJL-SFHVURJKSA-N 2 2 336.524 1.491 20 0 EDADLP C[N@H+]1CCC[C@H]1CCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000089424557 536390276 /nfs/dbraw/zinc/39/02/76/536390276.db2.gz NBMQPMHKHBZNJL-SFHVURJKSA-N 2 2 336.524 1.491 20 0 EDADLP COc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc2c1OCCO2 ZINC000353360927 536745315 /nfs/dbraw/zinc/74/53/15/536745315.db2.gz NXZRNSFGRDPAAG-UHFFFAOYSA-N 2 2 336.432 1.355 20 0 EDADLP COc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc2c1OCCO2 ZINC000353360927 536745319 /nfs/dbraw/zinc/74/53/19/536745319.db2.gz NXZRNSFGRDPAAG-UHFFFAOYSA-N 2 2 336.432 1.355 20 0 EDADLP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000743847100 579492210 /nfs/dbraw/zinc/49/22/10/579492210.db2.gz YAJQSEDWLLBOMU-AZUAARDMSA-N 2 2 347.503 1.448 20 0 EDADLP C[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000743847100 579492212 /nfs/dbraw/zinc/49/22/12/579492212.db2.gz YAJQSEDWLLBOMU-AZUAARDMSA-N 2 2 347.503 1.448 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=S)NCCc2cccs2)CC1 ZINC000749006912 578504953 /nfs/dbraw/zinc/50/49/53/578504953.db2.gz ZFHCEYCQEKIQAA-UHFFFAOYSA-N 2 2 340.562 1.781 20 0 EDADLP Cc1ccc(OCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000729265244 578562710 /nfs/dbraw/zinc/56/27/10/578562710.db2.gz FAJJPPWLSQXFQL-GOSISDBHSA-N 2 2 331.460 1.788 20 0 EDADLP Cc1ccc(OCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000729265244 578562711 /nfs/dbraw/zinc/56/27/11/578562711.db2.gz FAJJPPWLSQXFQL-GOSISDBHSA-N 2 2 331.460 1.788 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ncc(Cl)n2C)nc[nH+]1 ZINC000729920607 578599566 /nfs/dbraw/zinc/59/95/66/578599566.db2.gz NELWOYNUOBZZFC-NSHDSACASA-N 2 2 335.843 1.664 20 0 EDADLP Fc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000737652282 578632663 /nfs/dbraw/zinc/63/26/63/578632663.db2.gz WMDQIHXHBMCZFN-ZDUSSCGKSA-N 2 2 330.411 1.924 20 0 EDADLP Fc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000737652282 578632665 /nfs/dbraw/zinc/63/26/65/578632665.db2.gz WMDQIHXHBMCZFN-ZDUSSCGKSA-N 2 2 330.411 1.924 20 0 EDADLP O=C1CN(c2ccccc2)C(=O)N1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738158600 579166025 /nfs/dbraw/zinc/16/60/25/579166025.db2.gz MYVKXHGEWOCRRL-MRXNPFEDSA-N 2 2 339.399 1.946 20 0 EDADLP O=C1CN(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738158600 579166026 /nfs/dbraw/zinc/16/60/26/579166026.db2.gz MYVKXHGEWOCRRL-MRXNPFEDSA-N 2 2 339.399 1.946 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H](C)C1 ZINC000746472429 579596754 /nfs/dbraw/zinc/59/67/54/579596754.db2.gz PHNIMRKRJOWKOU-ZFWWWQNUSA-N 2 2 343.493 1.692 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H](C)C1 ZINC000746472429 579596755 /nfs/dbraw/zinc/59/67/55/579596755.db2.gz PHNIMRKRJOWKOU-ZFWWWQNUSA-N 2 2 343.493 1.692 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H](C)C1 ZINC000746472429 579596756 /nfs/dbraw/zinc/59/67/56/579596756.db2.gz PHNIMRKRJOWKOU-ZFWWWQNUSA-N 2 2 343.493 1.692 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H](C)C1 ZINC000746472429 579596757 /nfs/dbraw/zinc/59/67/57/579596757.db2.gz PHNIMRKRJOWKOU-ZFWWWQNUSA-N 2 2 343.493 1.692 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C[C@@H](c2ccccn2)CC1=O ZINC000746626156 579604046 /nfs/dbraw/zinc/60/40/46/579604046.db2.gz ANZYXLWXHQNFEV-INIZCTEOSA-N 2 2 327.432 1.882 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C[C@@H](c2ccccn2)CC1=O ZINC000746626156 579604047 /nfs/dbraw/zinc/60/40/47/579604047.db2.gz ANZYXLWXHQNFEV-INIZCTEOSA-N 2 2 327.432 1.882 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NOCCC(F)(F)F)C2)CC1 ZINC000777544501 580444218 /nfs/dbraw/zinc/44/42/18/580444218.db2.gz JXDQAQDBHHJMAP-NSHDSACASA-N 2 2 338.374 1.338 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NOCCC(F)(F)F)C2)CC1 ZINC000777544501 580444219 /nfs/dbraw/zinc/44/42/19/580444219.db2.gz JXDQAQDBHHJMAP-NSHDSACASA-N 2 2 338.374 1.338 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[NH+]2CCOCC2)cc1F ZINC000750852150 579783913 /nfs/dbraw/zinc/78/39/13/579783913.db2.gz KNIZBGONCBZMGO-UHFFFAOYSA-N 2 2 346.406 1.658 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000750854760 579784126 /nfs/dbraw/zinc/78/41/26/579784126.db2.gz TTXQASIBTGOJSJ-AWEZNQCLSA-N 2 2 336.399 1.651 20 0 EDADLP C[NH+](C)CCCNC(=S)N1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000753908052 579890852 /nfs/dbraw/zinc/89/08/52/579890852.db2.gz VCXFXYQMHGVDQY-UHFFFAOYSA-N 2 2 343.566 1.312 20 0 EDADLP CC1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](c3[nH+]ccn3C)C1)C2=O ZINC000755789657 579935272 /nfs/dbraw/zinc/93/52/72/579935272.db2.gz IWBJRICHZKOBHX-FVRSWCFKSA-N 2 2 345.447 1.668 20 0 EDADLP CC1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@H](c3[nH+]ccn3C)C1)C2=O ZINC000755789657 579935273 /nfs/dbraw/zinc/93/52/73/579935273.db2.gz IWBJRICHZKOBHX-FVRSWCFKSA-N 2 2 345.447 1.668 20 0 EDADLP C[C@@H]1C[N@H+](Cn2c3ccccc3oc2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763330671 580097890 /nfs/dbraw/zinc/09/78/90/580097890.db2.gz CDFIYVOHHRXESI-CVEARBPZSA-N 2 2 344.459 1.510 20 0 EDADLP C[C@@H]1C[N@@H+](Cn2c3ccccc3oc2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763330671 580097891 /nfs/dbraw/zinc/09/78/91/580097891.db2.gz CDFIYVOHHRXESI-CVEARBPZSA-N 2 2 344.459 1.510 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764470062 580121081 /nfs/dbraw/zinc/12/10/81/580121081.db2.gz SPUZUKWTUYQZBY-CRAIPNDOSA-N 2 2 346.475 1.289 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764470062 580121082 /nfs/dbraw/zinc/12/10/82/580121082.db2.gz SPUZUKWTUYQZBY-CRAIPNDOSA-N 2 2 346.475 1.289 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000764772443 580128471 /nfs/dbraw/zinc/12/84/71/580128471.db2.gz SYJBYFKKHJUOJD-INIZCTEOSA-N 2 2 341.402 1.140 20 0 EDADLP CN1CCN(C)[C@H](C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000765916351 580153559 /nfs/dbraw/zinc/15/35/59/580153559.db2.gz MRLKBDXEYFLEMQ-HXUWFJFHSA-N 2 2 345.535 1.557 20 0 EDADLP C[N@H+](CCn1cc[nH+]c1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766242754 580162541 /nfs/dbraw/zinc/16/25/41/580162541.db2.gz JUXUAWYIMWSDDH-UHFFFAOYSA-N 2 2 337.468 1.368 20 0 EDADLP C[N@@H+](CCn1cc[nH+]c1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766242754 580162542 /nfs/dbraw/zinc/16/25/42/580162542.db2.gz JUXUAWYIMWSDDH-UHFFFAOYSA-N 2 2 337.468 1.368 20 0 EDADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nonc2C)CC1 ZINC000771794350 580294110 /nfs/dbraw/zinc/29/41/10/580294110.db2.gz FOTXENRLSIMZSR-UHFFFAOYSA-N 2 2 337.468 1.438 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[S@@](=O)C(C)(C)C)CC1 ZINC000775635387 580395824 /nfs/dbraw/zinc/39/58/24/580395824.db2.gz XFEFZXTWRGQOKD-JOCHJYFZSA-N 2 2 332.510 1.541 20 0 EDADLP NC(Cc1cccc(F)c1)=[NH+]OCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000783155250 580594347 /nfs/dbraw/zinc/59/43/47/580594347.db2.gz BAYJIFZUPMMSEC-UHFFFAOYSA-N 2 2 348.422 1.610 20 0 EDADLP CC[C@@H](C(=O)O[C@H](C)C(=O)N1CC[NH+](CC)CC1)[NH+](CC)CC ZINC000783782747 580606217 /nfs/dbraw/zinc/60/62/17/580606217.db2.gz JWTPFWDZJABNNA-CABCVRRESA-N 2 2 327.469 1.203 20 0 EDADLP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)NC(=O)OC(C)(C)C ZINC000785473635 580645297 /nfs/dbraw/zinc/64/52/97/580645297.db2.gz GQDLLADZDYEWNS-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)NC(=O)OC(C)(C)C ZINC000785473635 580645298 /nfs/dbraw/zinc/64/52/98/580645298.db2.gz GQDLLADZDYEWNS-HOTGVXAUSA-N 2 2 340.512 1.611 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccn(CC(F)F)n3)C2)CC1 ZINC000789949660 580757788 /nfs/dbraw/zinc/75/77/88/580757788.db2.gz WAPGOVNNGFNLQB-LBPRGKRZSA-N 2 2 341.406 1.047 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccn(CC(F)F)n3)C2)CC1 ZINC000789949660 580757789 /nfs/dbraw/zinc/75/77/89/580757789.db2.gz WAPGOVNNGFNLQB-LBPRGKRZSA-N 2 2 341.406 1.047 20 0 EDADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000791260289 580787748 /nfs/dbraw/zinc/78/77/48/580787748.db2.gz UEBVIVVRUWNOOH-LSDHHAIUSA-N 2 2 329.379 1.526 20 0 EDADLP C[C@H]1CN(c2nc(N)[nH+]c(C(C)(C)C)n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000893046756 590635105 /nfs/dbraw/zinc/63/51/05/590635105.db2.gz HXDUNOBDKGWMOU-UONOGXRCSA-N 2 2 347.511 1.214 20 0 EDADLP Cc1cc(N)nc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)[nH+]1 ZINC000891840987 590647947 /nfs/dbraw/zinc/64/79/47/590647947.db2.gz ZBTHZPVRGYPIMB-CHWSQXEVSA-N 2 2 328.420 1.988 20 0 EDADLP Cc1cc(N)nc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC000891844967 590651094 /nfs/dbraw/zinc/65/10/94/590651094.db2.gz LOZILRHOUCFGNN-UHFFFAOYSA-N 2 2 340.431 1.367 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c2[nH+]ccn21 ZINC000891939740 590697383 /nfs/dbraw/zinc/69/73/83/590697383.db2.gz NLZQHNHUQVPZKZ-RDBSUJKOSA-N 2 2 333.436 1.347 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000891962037 590709964 /nfs/dbraw/zinc/70/99/64/590709964.db2.gz MFYVCOHDZNFSPM-KRWDZBQOSA-N 2 2 334.464 1.105 20 0 EDADLP C[NH2+]CCCNC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000891962037 590709968 /nfs/dbraw/zinc/70/99/68/590709968.db2.gz MFYVCOHDZNFSPM-KRWDZBQOSA-N 2 2 334.464 1.105 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000891990528 590731132 /nfs/dbraw/zinc/73/11/32/590731132.db2.gz VYIVJOJLRHDRPT-CVEARBPZSA-N 2 2 331.464 1.640 20 0 EDADLP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892001627 590738071 /nfs/dbraw/zinc/73/80/71/590738071.db2.gz WMIRMOLDIHOSBM-DOTOQJQBSA-N 2 2 327.432 1.923 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000892015855 590747870 /nfs/dbraw/zinc/74/78/70/590747870.db2.gz CRNNGNVNKRZZBJ-QZTJIDSGSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000892015855 590747875 /nfs/dbraw/zinc/74/78/75/590747875.db2.gz CRNNGNVNKRZZBJ-QZTJIDSGSA-N 2 2 346.475 1.247 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000892044270 590768653 /nfs/dbraw/zinc/76/86/53/590768653.db2.gz IMFRJCDBZSVQEI-INIZCTEOSA-N 2 2 341.459 1.982 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000892049392 590771662 /nfs/dbraw/zinc/77/16/62/590771662.db2.gz SXUCVOBZFJIHQC-ZWKOTPCHSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000892049392 590771665 /nfs/dbraw/zinc/77/16/65/590771665.db2.gz SXUCVOBZFJIHQC-ZWKOTPCHSA-N 2 2 346.475 1.232 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)NCC1=CC[NH2+]CC1 ZINC000892067319 590782163 /nfs/dbraw/zinc/78/21/63/590782163.db2.gz RTGWVQOVCQMCGJ-UHFFFAOYSA-N 2 2 347.488 1.354 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000892073012 590784833 /nfs/dbraw/zinc/78/48/33/590784833.db2.gz XTBYOURWGCZJJT-KRWDZBQOSA-N 2 2 325.416 1.843 20 0 EDADLP [NH3+]CC[C@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)C(F)F ZINC000892149432 590822571 /nfs/dbraw/zinc/82/25/71/590822571.db2.gz BAQQDIMYBYKTKB-KBPBESRZSA-N 2 2 337.374 1.906 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000892199951 590861285 /nfs/dbraw/zinc/86/12/85/590861285.db2.gz OFDXISPPOFIVEV-LZLYRXPVSA-N 2 2 348.491 1.621 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])C2)cc1 ZINC000892199951 590861287 /nfs/dbraw/zinc/86/12/87/590861287.db2.gz OFDXISPPOFIVEV-LZLYRXPVSA-N 2 2 348.491 1.621 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCc1cn(C)c[nH+]1 ZINC000892253955 590888040 /nfs/dbraw/zinc/88/80/40/590888040.db2.gz ILMCUKSFRQWSCX-UHFFFAOYSA-N 2 2 325.376 1.309 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000893697866 591051285 /nfs/dbraw/zinc/05/12/85/591051285.db2.gz WYDOLUUFYYWJAQ-JKSUJKDBSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893697866 591051288 /nfs/dbraw/zinc/05/12/88/591051288.db2.gz WYDOLUUFYYWJAQ-JKSUJKDBSA-N 2 2 343.431 1.075 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891344481 591051534 /nfs/dbraw/zinc/05/15/34/591051534.db2.gz IUNGXIJRKSWECL-PBHICJAKSA-N 2 2 326.404 1.351 20 0 EDADLP CC1(C)CC[C@H](CNC(=O)NCc2cccnc2-n2cc[nH+]c2)[NH2+]C1 ZINC000891345411 591052001 /nfs/dbraw/zinc/05/20/01/591052001.db2.gz VSJIDFVOLRIIDR-OAHLLOKOSA-N 2 2 342.447 1.845 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891348483 591053581 /nfs/dbraw/zinc/05/35/81/591053581.db2.gz QHZYKNCHNYYBAB-UHFFFAOYSA-N 2 2 339.443 1.793 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000891349893 591055159 /nfs/dbraw/zinc/05/51/59/591055159.db2.gz LJCKQGBPUDLAML-YOEHRIQHSA-N 2 2 326.485 1.114 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000892574821 591077973 /nfs/dbraw/zinc/07/79/73/591077973.db2.gz YDFRLPLTIWEFKR-ITFAXAFGSA-N 2 2 328.460 1.764 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)c1 ZINC000892577822 591079371 /nfs/dbraw/zinc/07/93/71/591079371.db2.gz NVLIITAVLCNDPJ-BFYDXBDKSA-N 2 2 346.475 1.821 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N3C[C@H]([NH3+])C[C@@H]3C)C2)c1 ZINC000892609368 591093667 /nfs/dbraw/zinc/09/36/67/591093667.db2.gz OEOKEXBHIAISCP-CGTJXYLNSA-N 2 2 346.475 1.327 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N3C[C@H]([NH3+])C[C@@H]3C)C2)c1 ZINC000892609368 591093671 /nfs/dbraw/zinc/09/36/71/591093671.db2.gz OEOKEXBHIAISCP-CGTJXYLNSA-N 2 2 346.475 1.327 20 0 EDADLP c1nn(CC2CCC2)cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000891505369 591097832 /nfs/dbraw/zinc/09/78/32/591097832.db2.gz KCRRKGYIBDFUNH-UHFFFAOYSA-N 2 2 331.508 1.897 20 0 EDADLP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCc2[nH+]ccn2C)c1 ZINC000891507617 591099820 /nfs/dbraw/zinc/09/98/20/591099820.db2.gz JJZUYMGTDGWMNW-OAHLLOKOSA-N 2 2 329.404 1.285 20 0 EDADLP COc1cccc([C@H](CNC(=O)NCc2cn(C)c[nH+]2)[NH+](C)C)c1 ZINC000891534509 591111453 /nfs/dbraw/zinc/11/14/53/591111453.db2.gz GBASMTDGYDNRQD-INIZCTEOSA-N 2 2 331.420 1.531 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)c2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000892700386 591137056 /nfs/dbraw/zinc/13/70/56/591137056.db2.gz HOUVRTRDFOBMDK-NSHDSACASA-N 2 2 348.344 1.341 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(F)(F)c2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000892700386 591137058 /nfs/dbraw/zinc/13/70/58/591137058.db2.gz HOUVRTRDFOBMDK-NSHDSACASA-N 2 2 348.344 1.341 20 0 EDADLP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891653567 591169929 /nfs/dbraw/zinc/16/99/29/591169929.db2.gz FDJYPPAKYUJBBX-HOTGVXAUSA-N 2 2 325.416 1.382 20 0 EDADLP C[NH+]1CCC2(CCN2C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000891716623 591196563 /nfs/dbraw/zinc/19/65/63/591196563.db2.gz UVGSSJSTBKTBDA-UHFFFAOYSA-N 2 2 327.432 1.757 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000891728490 591201226 /nfs/dbraw/zinc/20/12/26/591201226.db2.gz DAWJQBFNIBFBMQ-PDUOOLKUSA-N 2 2 338.402 1.747 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000891728490 591201228 /nfs/dbraw/zinc/20/12/28/591201228.db2.gz DAWJQBFNIBFBMQ-PDUOOLKUSA-N 2 2 338.402 1.747 20 0 EDADLP CCC[C@@H](O)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000892946464 591234946 /nfs/dbraw/zinc/23/49/46/591234946.db2.gz CDQTXYXCLKRSKB-OAHLLOKOSA-N 2 2 329.485 1.726 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]c1C(C)C ZINC000894242237 591242380 /nfs/dbraw/zinc/24/23/80/591242380.db2.gz HTHKDFZMLWODEL-LSDHHAIUSA-N 2 2 335.448 1.878 20 0 EDADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)[nH]c1C(C)C ZINC000894242237 591242382 /nfs/dbraw/zinc/24/23/82/591242382.db2.gz HTHKDFZMLWODEL-LSDHHAIUSA-N 2 2 335.448 1.878 20 0 EDADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]cc(Br)n3C2)[C@H]1OC ZINC000898719897 591483821 /nfs/dbraw/zinc/48/38/21/591483821.db2.gz HUXPSMSZOIOKOK-ZHSDAYTOSA-N 2 2 344.253 1.742 20 0 EDADLP Cc1nnsc1C[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000898721551 591488460 /nfs/dbraw/zinc/48/84/60/591488460.db2.gz UFCVOGSMHSLDGP-QMMMGPOBSA-N 2 2 328.239 1.910 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC000897493749 591497180 /nfs/dbraw/zinc/49/71/80/591497180.db2.gz IAIRZCQEEQTPIF-CJNGLKHVSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897493749 591497182 /nfs/dbraw/zinc/49/71/82/591497182.db2.gz IAIRZCQEEQTPIF-CJNGLKHVSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000897493749 591497184 /nfs/dbraw/zinc/49/71/84/591497184.db2.gz IAIRZCQEEQTPIF-CJNGLKHVSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000897494809 591498753 /nfs/dbraw/zinc/49/87/53/591498753.db2.gz ORNMRLIKOWGXEP-INIZCTEOSA-N 2 2 331.464 1.393 20 0 EDADLP C[C@H]1CCC[N@H+]1CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000897494809 591498757 /nfs/dbraw/zinc/49/87/57/591498757.db2.gz ORNMRLIKOWGXEP-INIZCTEOSA-N 2 2 331.464 1.393 20 0 EDADLP CCC(CC)[C@@H](C(=O)NCC(C)(C)n1cc[nH+]c1)[NH+]1CCOCC1 ZINC000898904497 591592582 /nfs/dbraw/zinc/59/25/82/591592582.db2.gz WKDXXIYCTMLJCL-INIZCTEOSA-N 2 2 336.480 1.871 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000898963018 591617897 /nfs/dbraw/zinc/61/78/97/591617897.db2.gz VRVCMCWRFFTYQN-ZIAGYGMSSA-N 2 2 345.447 1.239 20 0 EDADLP Cc1[nH+]c2ccccn2c1CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000898963018 591617899 /nfs/dbraw/zinc/61/78/99/591617899.db2.gz VRVCMCWRFFTYQN-ZIAGYGMSSA-N 2 2 345.447 1.239 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[N@@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)OCCO2 ZINC000895236027 591671590 /nfs/dbraw/zinc/67/15/90/591671590.db2.gz ORWJEMOFRNMAAG-BBWFWOEESA-N 2 2 342.455 1.807 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[N@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)OCCO2 ZINC000895236027 591671591 /nfs/dbraw/zinc/67/15/91/591671591.db2.gz ORWJEMOFRNMAAG-BBWFWOEESA-N 2 2 342.455 1.807 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)c1ccco1 ZINC000895456512 591763634 /nfs/dbraw/zinc/76/36/34/591763634.db2.gz FVAXCCIHQSFGHQ-LSDHHAIUSA-N 2 2 331.420 1.802 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)c1ccco1 ZINC000895456512 591763638 /nfs/dbraw/zinc/76/36/38/591763638.db2.gz FVAXCCIHQSFGHQ-LSDHHAIUSA-N 2 2 331.420 1.802 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1)c1ccco1 ZINC000895456512 591763640 /nfs/dbraw/zinc/76/36/40/591763640.db2.gz FVAXCCIHQSFGHQ-LSDHHAIUSA-N 2 2 331.420 1.802 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1)c1ccco1 ZINC000895456512 591763645 /nfs/dbraw/zinc/76/36/45/591763645.db2.gz FVAXCCIHQSFGHQ-LSDHHAIUSA-N 2 2 331.420 1.802 20 0 EDADLP CC[C@H](CO)Nc1cc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)nc[nH+]1 ZINC000895563560 591803212 /nfs/dbraw/zinc/80/32/12/591803212.db2.gz BHBCSAHGLIDOKS-MGPQQGTHSA-N 2 2 337.493 1.651 20 0 EDADLP CC[C@H](CO)Nc1cc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)nc[nH+]1 ZINC000895563560 591803215 /nfs/dbraw/zinc/80/32/15/591803215.db2.gz BHBCSAHGLIDOKS-MGPQQGTHSA-N 2 2 337.493 1.651 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)CC2)c1 ZINC000899972551 591845743 /nfs/dbraw/zinc/84/57/43/591845743.db2.gz NUERFHNCVNJRSI-MJGOQNOKSA-N 2 2 331.460 1.094 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)c1 ZINC000899972551 591845745 /nfs/dbraw/zinc/84/57/45/591845745.db2.gz NUERFHNCVNJRSI-MJGOQNOKSA-N 2 2 331.460 1.094 20 0 EDADLP C/C(=C\C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900012921 591862729 /nfs/dbraw/zinc/86/27/29/591862729.db2.gz FFTNUOTZDIBTNG-XEYRCQSKSA-N 2 2 345.487 1.554 20 0 EDADLP CC[NH+]1CCN(CC(=O)NCc2ccccc2-c2[nH]cc[nH+]2)CC1 ZINC000909629027 591870060 /nfs/dbraw/zinc/87/00/60/591870060.db2.gz MAFVXFGJJUKKSS-UHFFFAOYSA-N 2 2 327.432 1.330 20 0 EDADLP CC(C)(C[NH2+]C[C@H](O)C1(O)CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000899866145 591968952 /nfs/dbraw/zinc/96/89/52/591968952.db2.gz MIGXJPRBZKDUND-SFHVURJKSA-N 2 2 348.487 1.315 20 0 EDADLP CC(C)(C[NH2+]C[C@H](O)C1(O)CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000899866145 591968955 /nfs/dbraw/zinc/96/89/55/591968955.db2.gz MIGXJPRBZKDUND-SFHVURJKSA-N 2 2 348.487 1.315 20 0 EDADLP C/C(=C\C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900299278 591979462 /nfs/dbraw/zinc/97/94/62/591979462.db2.gz CZJZRNKKKCFHOV-UMEYKSNOSA-N 2 2 345.487 1.554 20 0 EDADLP O=C1O[C@H](CNc2cc[nH+]c3cc(F)cnc23)CC12CC[NH2+]CC2 ZINC000900362221 591995487 /nfs/dbraw/zinc/99/54/87/591995487.db2.gz JPOWJHNGSLJMEH-LBPRGKRZSA-N 2 2 330.363 1.866 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900371867 591999963 /nfs/dbraw/zinc/99/99/63/591999963.db2.gz JZLRMMHODWFQGZ-KRWDZBQOSA-N 2 2 339.443 1.962 20 0 EDADLP C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000902522490 592010435 /nfs/dbraw/zinc/01/04/35/592010435.db2.gz XULUQQVJAANQHY-SRVKXCTJSA-N 2 2 325.844 1.535 20 0 EDADLP C/C(=C\C(=O)N(CC[NH+](C)C)Cc1ccccc1)C[NH+]1CCOCC1 ZINC000900418922 592013966 /nfs/dbraw/zinc/01/39/66/592013966.db2.gz SJIWNNPMFADXMO-OBGWFSINSA-N 2 2 345.487 1.855 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H]3CCC4(CCCC4)O3)nn2)CC1 ZINC000900572099 592055655 /nfs/dbraw/zinc/05/56/55/592055655.db2.gz YLGXNDQLFWIROR-KRWDZBQOSA-N 2 2 333.480 1.954 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cn(C)nn1 ZINC000902766236 592059538 /nfs/dbraw/zinc/05/95/38/592059538.db2.gz ZMBDGXCNXKECKD-CABCVRRESA-N 2 2 329.448 1.887 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cn(C)nn1 ZINC000902766236 592059540 /nfs/dbraw/zinc/05/95/40/592059540.db2.gz ZMBDGXCNXKECKD-CABCVRRESA-N 2 2 329.448 1.887 20 0 EDADLP C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693408 592097289 /nfs/dbraw/zinc/09/72/89/592097289.db2.gz RNFFVUUKYRVZOV-YOEHRIQHSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693408 592097291 /nfs/dbraw/zinc/09/72/91/592097291.db2.gz RNFFVUUKYRVZOV-YOEHRIQHSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693408 592097293 /nfs/dbraw/zinc/09/72/93/592097293.db2.gz RNFFVUUKYRVZOV-YOEHRIQHSA-N 2 2 347.507 1.560 20 0 EDADLP C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900693408 592097294 /nfs/dbraw/zinc/09/72/94/592097294.db2.gz RNFFVUUKYRVZOV-YOEHRIQHSA-N 2 2 347.507 1.560 20 0 EDADLP O=C(Cc1c[nH]c[nH+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000900704655 592099467 /nfs/dbraw/zinc/09/94/67/592099467.db2.gz YWXNNLBRZWSCHF-UHFFFAOYSA-N 2 2 328.416 1.225 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000900704655 592099468 /nfs/dbraw/zinc/09/94/68/592099468.db2.gz YWXNNLBRZWSCHF-UHFFFAOYSA-N 2 2 328.416 1.225 20 0 EDADLP Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1 ZINC000900717790 592103558 /nfs/dbraw/zinc/10/35/58/592103558.db2.gz QXMAOFAUCKALRH-UHFFFAOYSA-N 2 2 336.399 1.926 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@H]3CCO[C@]34CCOC4)CC2)cc[nH+]1 ZINC000903088512 592117823 /nfs/dbraw/zinc/11/78/23/592117823.db2.gz ZMDYVDJEMFVGDD-OALUTQOASA-N 3 2 346.475 1.131 20 0 EDADLP C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883783 592156263 /nfs/dbraw/zinc/15/62/63/592156263.db2.gz SULQLIBHCLLFSJ-QANKJYHBSA-N 2 2 328.416 1.505 20 0 EDADLP C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000900883783 592156266 /nfs/dbraw/zinc/15/62/66/592156266.db2.gz SULQLIBHCLLFSJ-QANKJYHBSA-N 2 2 328.416 1.505 20 0 EDADLP CO[C@@]1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCS(=O)(=O)C1 ZINC000903368700 592161344 /nfs/dbraw/zinc/16/13/44/592161344.db2.gz PNHXMLMZXFYHHQ-WMLDXEAASA-N 2 2 349.456 1.727 20 0 EDADLP C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000903432770 592169079 /nfs/dbraw/zinc/16/90/79/592169079.db2.gz REETYJGEVRFTOD-AWEZNQCLSA-N 2 2 339.399 1.876 20 0 EDADLP CCO[C@H](C)c1noc(CN2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC000903446072 592173185 /nfs/dbraw/zinc/17/31/85/592173185.db2.gz SIMIYSOAWZNXRQ-KFWWJZLASA-N 2 2 337.468 1.140 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCN(c2ccccc2)CC1 ZINC000903471509 592175793 /nfs/dbraw/zinc/17/57/93/592175793.db2.gz SQZCKBOJFIZLOR-KRWDZBQOSA-N 2 2 328.460 1.209 20 0 EDADLP C/C(=C/C(=O)NC1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900954198 592178826 /nfs/dbraw/zinc/17/88/26/592178826.db2.gz GJKVQWSRULROCC-PEZBUJJGSA-N 2 2 335.492 1.788 20 0 EDADLP COc1ccccc1OCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505629 592181753 /nfs/dbraw/zinc/18/17/53/592181753.db2.gz FWWIMIWLVZUYNQ-HDICACEKSA-N 2 2 345.487 1.975 20 0 EDADLP COc1ccccc1OCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505629 592181755 /nfs/dbraw/zinc/18/17/55/592181755.db2.gz FWWIMIWLVZUYNQ-HDICACEKSA-N 2 2 345.487 1.975 20 0 EDADLP COc1cc2c(cc1OC)C1(CCC1)[N@@H+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC000903564204 592211479 /nfs/dbraw/zinc/21/14/79/592211479.db2.gz QGZYRKPGCCNYOG-HNNXBMFYSA-N 2 2 332.444 1.930 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)Cc2cccc3cccnc32)CC1 ZINC000903565842 592212833 /nfs/dbraw/zinc/21/28/33/592212833.db2.gz DHHHABRCLVPVAA-UHFFFAOYSA-N 2 2 348.472 1.077 20 0 EDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904326938 592231270 /nfs/dbraw/zinc/23/12/70/592231270.db2.gz UAZAZYAQWPYBAV-DLBZAZTESA-N 2 2 338.540 1.769 20 0 EDADLP C[C@@H]1C[N@H+](C[C@]2(C)CCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000904346474 592235461 /nfs/dbraw/zinc/23/54/61/592235461.db2.gz VJYQSTVELGQHED-RHSMWYFYSA-N 2 2 329.452 1.025 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@]2(C)CCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000904346474 592235464 /nfs/dbraw/zinc/23/54/64/592235464.db2.gz VJYQSTVELGQHED-RHSMWYFYSA-N 2 2 329.452 1.025 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccnc1Cl ZINC000906677670 592258793 /nfs/dbraw/zinc/25/87/93/592258793.db2.gz OBLAXHNCQGTJED-UHFFFAOYSA-N 2 2 325.844 1.228 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccnc1Cl ZINC000906677670 592258795 /nfs/dbraw/zinc/25/87/95/592258795.db2.gz OBLAXHNCQGTJED-UHFFFAOYSA-N 2 2 325.844 1.228 20 0 EDADLP COc1cc(CN2C[C@@H](c3cn(C)c[nH+]3)[C@H]([NH3+])C2)cc2c1OCO2 ZINC000904493973 592266850 /nfs/dbraw/zinc/26/68/50/592266850.db2.gz DQPZCINKKPJHDN-CHWSQXEVSA-N 2 2 330.388 1.084 20 0 EDADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH2+][C@@H](c2ccccc2Cl)C1 ZINC000908035469 592282691 /nfs/dbraw/zinc/28/26/91/592282691.db2.gz JZFUMTLSWMIYBM-WMLDXEAASA-N 2 2 349.862 1.534 20 0 EDADLP CCO[C@@H](C)c1noc(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903735177 592297537 /nfs/dbraw/zinc/29/75/37/592297537.db2.gz YJDZUNKNQJUXQI-UONOGXRCSA-N 2 2 338.452 1.758 20 0 EDADLP CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903735177 592297539 /nfs/dbraw/zinc/29/75/39/592297539.db2.gz YJDZUNKNQJUXQI-UONOGXRCSA-N 2 2 338.452 1.758 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903737709 592300492 /nfs/dbraw/zinc/30/04/92/592300492.db2.gz VJMFMKQURPYRSG-DLBZAZTESA-N 2 2 336.524 1.441 20 0 EDADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903737709 592300498 /nfs/dbraw/zinc/30/04/98/592300498.db2.gz VJMFMKQURPYRSG-DLBZAZTESA-N 2 2 336.524 1.441 20 0 EDADLP Cc1cc(C)c2cc(NC(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)ccc2[nH+]1 ZINC000906742206 592306893 /nfs/dbraw/zinc/30/68/93/592306893.db2.gz RELCFMLPRYVCGM-MQMHXKEQSA-N 2 2 326.400 1.644 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000903849832 592344771 /nfs/dbraw/zinc/34/47/71/592344771.db2.gz HXMHDLFRDNIXAE-YUTCNCBUSA-N 2 2 328.865 1.925 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000903849832 592344776 /nfs/dbraw/zinc/34/47/76/592344776.db2.gz HXMHDLFRDNIXAE-YUTCNCBUSA-N 2 2 328.865 1.925 20 0 EDADLP COc1cccc(OC)c1OC[C@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869606 592353359 /nfs/dbraw/zinc/35/33/59/592353359.db2.gz ITASFAUDISBNCA-KDOFPFPSSA-N 2 2 336.432 1.271 20 0 EDADLP COc1cccc(OC)c1OC[C@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869606 592353362 /nfs/dbraw/zinc/35/33/62/592353362.db2.gz ITASFAUDISBNCA-KDOFPFPSSA-N 2 2 336.432 1.271 20 0 EDADLP COCC[N@H+](Cc1cccs1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903876159 592356452 /nfs/dbraw/zinc/35/64/52/592356452.db2.gz DWIAGZQTOOSQKO-CQSZACIVSA-N 2 2 335.477 1.913 20 0 EDADLP COCC[N@@H+](Cc1cccs1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903876159 592356457 /nfs/dbraw/zinc/35/64/57/592356457.db2.gz DWIAGZQTOOSQKO-CQSZACIVSA-N 2 2 335.477 1.913 20 0 EDADLP COc1cc(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)ccc1O ZINC000903877523 592358204 /nfs/dbraw/zinc/35/82/04/592358204.db2.gz BFYJNQIKUVIVJF-CQSZACIVSA-N 2 2 331.420 1.549 20 0 EDADLP COc1cc(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)ccc1O ZINC000903877523 592358208 /nfs/dbraw/zinc/35/82/08/592358208.db2.gz BFYJNQIKUVIVJF-CQSZACIVSA-N 2 2 331.420 1.549 20 0 EDADLP FC(F)(F)CN1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903879517 592359572 /nfs/dbraw/zinc/35/95/72/592359572.db2.gz CPMIRFWJEIPDCM-CYBMUJFWSA-N 2 2 346.401 1.273 20 0 EDADLP FC(F)(F)CN1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903879517 592359581 /nfs/dbraw/zinc/35/95/81/592359581.db2.gz CPMIRFWJEIPDCM-CYBMUJFWSA-N 2 2 346.401 1.273 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cnn1C ZINC000903896913 592367157 /nfs/dbraw/zinc/36/71/57/592367157.db2.gz BFVFWDZPXGXQGV-OCCSQVGLSA-N 2 2 347.429 1.414 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cnn1C ZINC000903896913 592367162 /nfs/dbraw/zinc/36/71/62/592367162.db2.gz BFVFWDZPXGXQGV-OCCSQVGLSA-N 2 2 347.429 1.414 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903912270 592374837 /nfs/dbraw/zinc/37/48/37/592374837.db2.gz CJMGPNFTAQGAFH-CABCVRRESA-N 3 2 329.452 1.316 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903912270 592374840 /nfs/dbraw/zinc/37/48/40/592374840.db2.gz CJMGPNFTAQGAFH-CABCVRRESA-N 3 2 329.452 1.316 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905050658 592380608 /nfs/dbraw/zinc/38/06/08/592380608.db2.gz VYEMLOITUIZGOG-YJBOKZPZSA-N 2 2 333.432 1.227 20 0 EDADLP C/C(=C/C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)C[NH+]1CCOCC1 ZINC000908206153 592384119 /nfs/dbraw/zinc/38/41/19/592384119.db2.gz DGHYXPGULDXIGC-WTQUMQLASA-N 2 2 349.450 1.823 20 0 EDADLP FC(F)(F)[C@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903937153 592387379 /nfs/dbraw/zinc/38/73/79/592387379.db2.gz CKCHWWSXYHQNGR-WCQYABFASA-N 2 2 333.358 1.356 20 0 EDADLP FC(F)(F)[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903937153 592387384 /nfs/dbraw/zinc/38/73/84/592387384.db2.gz CKCHWWSXYHQNGR-WCQYABFASA-N 2 2 333.358 1.356 20 0 EDADLP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974614 592398894 /nfs/dbraw/zinc/39/88/94/592398894.db2.gz RXHGTXHEDNKKIY-SFHVURJKSA-N 3 2 347.503 1.875 20 0 EDADLP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903968504 592402914 /nfs/dbraw/zinc/40/29/14/592402914.db2.gz WZEACTRMYLWXCS-CABCVRRESA-N 2 2 342.443 1.994 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2(O)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000905160832 592424634 /nfs/dbraw/zinc/42/46/34/592424634.db2.gz SXHVFYRWMFGMML-NJAFHUGGSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2(O)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000905160832 592424639 /nfs/dbraw/zinc/42/46/39/592424639.db2.gz SXHVFYRWMFGMML-NJAFHUGGSA-N 2 2 334.460 1.141 20 0 EDADLP C[C@H](C[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1)C[NH+]1CCOCC1 ZINC000905137726 592432031 /nfs/dbraw/zinc/43/20/31/592432031.db2.gz URIJXBJNPIJLNV-WBVHZDCISA-N 2 2 347.459 1.466 20 0 EDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905323218 592497541 /nfs/dbraw/zinc/49/75/41/592497541.db2.gz DCFYJJRHGDOAJF-GOSISDBHSA-N 2 2 349.475 1.525 20 0 EDADLP O=S(=O)(CC1CC[NH2+]CC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000905333953 592508693 /nfs/dbraw/zinc/50/86/93/592508693.db2.gz NPJWGXORJOJTNE-UHFFFAOYSA-N 2 2 334.445 1.291 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000905363430 592515753 /nfs/dbraw/zinc/51/57/53/592515753.db2.gz FLKHRKGKKKTAIA-GUDVDZBRSA-N 2 2 336.476 1.298 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000905363430 592515756 /nfs/dbraw/zinc/51/57/56/592515756.db2.gz FLKHRKGKKKTAIA-GUDVDZBRSA-N 2 2 336.476 1.298 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)co2)C1 ZINC000907204707 592545556 /nfs/dbraw/zinc/54/55/56/592545556.db2.gz GHUVHFLKIFKWKF-IHRRRGAJSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)co2)C1 ZINC000907204707 592545559 /nfs/dbraw/zinc/54/55/59/592545559.db2.gz GHUVHFLKIFKWKF-IHRRRGAJSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)co2)C1 ZINC000907204707 592545560 /nfs/dbraw/zinc/54/55/60/592545560.db2.gz GHUVHFLKIFKWKF-IHRRRGAJSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[NH+](Cc2nc(C(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)co2)C1 ZINC000907204707 592545563 /nfs/dbraw/zinc/54/55/63/592545563.db2.gz GHUVHFLKIFKWKF-IHRRRGAJSA-N 2 2 336.436 1.060 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905623876 592589414 /nfs/dbraw/zinc/58/94/14/592589414.db2.gz IZBIPVOAJXWSRR-ZWKOTPCHSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905623876 592589417 /nfs/dbraw/zinc/58/94/17/592589417.db2.gz IZBIPVOAJXWSRR-ZWKOTPCHSA-N 2 2 334.460 1.578 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000905619169 592596037 /nfs/dbraw/zinc/59/60/37/592596037.db2.gz LUXVXBNPVWCABF-MOPGFXCFSA-N 2 2 348.487 1.886 20 0 EDADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000905619169 592596039 /nfs/dbraw/zinc/59/60/39/592596039.db2.gz LUXVXBNPVWCABF-MOPGFXCFSA-N 2 2 348.487 1.886 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=S)NCC(C)(C)C[NH+](C)C ZINC000905656111 592598605 /nfs/dbraw/zinc/59/86/05/592598605.db2.gz FLOJNILBVAACIE-CQSZACIVSA-N 2 2 330.542 1.149 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2nonc2c1 ZINC000905672418 592607633 /nfs/dbraw/zinc/60/76/33/592607633.db2.gz VVCBOBKDWNYDEK-INIZCTEOSA-N 2 2 326.400 1.805 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2nonc2c1 ZINC000905672418 592607636 /nfs/dbraw/zinc/60/76/36/592607636.db2.gz VVCBOBKDWNYDEK-INIZCTEOSA-N 2 2 326.400 1.805 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)CC1(O)CCCC1 ZINC000905911272 592691983 /nfs/dbraw/zinc/69/19/83/592691983.db2.gz LFHXCJMKFHWKQZ-GOSISDBHSA-N 2 2 333.476 1.692 20 0 EDADLP Cc1cc(C)c(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)c(C)[nH+]1 ZINC000909877650 592705248 /nfs/dbraw/zinc/70/52/48/592705248.db2.gz DLMXNSSGSHNZLX-UHFFFAOYSA-N 2 2 347.459 1.618 20 0 EDADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000907575931 592717747 /nfs/dbraw/zinc/71/77/47/592717747.db2.gz FMTOTHGJACFMLE-FGTMMUONSA-N 2 2 335.492 1.573 20 0 EDADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000907575931 592717748 /nfs/dbraw/zinc/71/77/48/592717748.db2.gz FMTOTHGJACFMLE-FGTMMUONSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000907575931 592717749 /nfs/dbraw/zinc/71/77/49/592717749.db2.gz FMTOTHGJACFMLE-FGTMMUONSA-N 2 2 335.492 1.573 20 0 EDADLP C[NH+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000907575931 592717751 /nfs/dbraw/zinc/71/77/51/592717751.db2.gz FMTOTHGJACFMLE-FGTMMUONSA-N 2 2 335.492 1.573 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC000906262408 592776840 /nfs/dbraw/zinc/77/68/40/592776840.db2.gz DNNCPOMSNHBXOT-HNNXBMFYSA-N 2 2 326.408 1.343 20 0 EDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn(-c3ccn(C)n3)nn2)C1 ZINC000906262408 592776844 /nfs/dbraw/zinc/77/68/44/592776844.db2.gz DNNCPOMSNHBXOT-HNNXBMFYSA-N 2 2 326.408 1.343 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906435632 592817797 /nfs/dbraw/zinc/81/77/97/592817797.db2.gz UEMYKKLZEQQNEC-QGZVFWFLSA-N 2 2 348.491 1.280 20 0 EDADLP CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccn2CC[NH+]2CCOCC2)C1 ZINC000906435632 592817800 /nfs/dbraw/zinc/81/78/00/592817800.db2.gz UEMYKKLZEQQNEC-QGZVFWFLSA-N 2 2 348.491 1.280 20 0 EDADLP CCCC[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000906529983 592840084 /nfs/dbraw/zinc/84/00/84/592840084.db2.gz VBCHDIHOBFXCQL-UHFFFAOYSA-N 2 2 325.478 1.512 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CCC[C@H]([NH+](C)C)C3)co2)C1 ZINC000906530244 592845163 /nfs/dbraw/zinc/84/51/63/592845163.db2.gz XPCXLEZUOVSPAV-KBPBESRZSA-N 2 2 336.436 1.062 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000906644418 592865509 /nfs/dbraw/zinc/86/55/09/592865509.db2.gz NOTANYMNJUHKJG-QGZVFWFLSA-N 2 2 348.491 1.425 20 0 EDADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=S)NCCC[NH+]1CCOCC1 ZINC000735244751 592979551 /nfs/dbraw/zinc/97/95/51/592979551.db2.gz BLIJWNMDTIVYEF-HZPDHXFCSA-N 2 2 340.537 1.142 20 0 EDADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=S)NCCC[NH+]1CCOCC1 ZINC000735244751 592979552 /nfs/dbraw/zinc/97/95/52/592979552.db2.gz BLIJWNMDTIVYEF-HZPDHXFCSA-N 2 2 340.537 1.142 20 0 EDADLP [NH3+][C@H](CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)C(F)F ZINC000911734682 592992505 /nfs/dbraw/zinc/99/25/05/592992505.db2.gz AHDQGPZPXYXUKX-CYBMUJFWSA-N 2 2 341.358 1.516 20 0 EDADLP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911810063 593014999 /nfs/dbraw/zinc/01/49/99/593014999.db2.gz LCDWHALOORLZCU-NOZJJQNGSA-N 2 2 342.237 1.278 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)N1CC([NH+]2CCCC2)C1)C(F)(F)F ZINC000912322185 593086870 /nfs/dbraw/zinc/08/68/70/593086870.db2.gz OBSILCYZIZLQCD-GFCCVEGCSA-N 2 2 330.354 1.763 20 0 EDADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H](O)c1ccccc1 ZINC000808720071 593283085 /nfs/dbraw/zinc/28/30/85/593283085.db2.gz MLMAVNVAILXQJR-YLJYHZDGSA-N 2 2 347.503 1.495 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)[C@@H](O)c1ccccc1 ZINC000808720071 593283087 /nfs/dbraw/zinc/28/30/87/593283087.db2.gz MLMAVNVAILXQJR-YLJYHZDGSA-N 2 2 347.503 1.495 20 0 EDADLP COC(=O)CC[N@@H+](Cc1ncc(C[NH+](C)C)s1)C[C@@H]1CCCO1 ZINC000809578768 593347608 /nfs/dbraw/zinc/34/76/08/593347608.db2.gz QKIURSZOCNRFAH-ZDUSSCGKSA-N 2 2 341.477 1.749 20 0 EDADLP COC(=O)CC[N@H+](Cc1ncc(C[NH+](C)C)s1)C[C@@H]1CCCO1 ZINC000809578768 593347609 /nfs/dbraw/zinc/34/76/09/593347609.db2.gz QKIURSZOCNRFAH-ZDUSSCGKSA-N 2 2 341.477 1.749 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(C)c1Cl ZINC000815122365 593616644 /nfs/dbraw/zinc/61/66/44/593616644.db2.gz KJAXRWSSAFJBJF-ZDUSSCGKSA-N 2 2 327.860 1.106 20 0 EDADLP Cn1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1Cl ZINC000815135701 593617654 /nfs/dbraw/zinc/61/76/54/593617654.db2.gz ZUEJJSDVXJSULX-INIZCTEOSA-N 2 2 334.851 1.930 20 0 EDADLP Cn1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1Cl ZINC000815135701 593617655 /nfs/dbraw/zinc/61/76/55/593617655.db2.gz ZUEJJSDVXJSULX-INIZCTEOSA-N 2 2 334.851 1.930 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C\c3cnn(C)c3)CC2)CC1 ZINC000817658439 593620510 /nfs/dbraw/zinc/62/05/10/593620510.db2.gz BZACQEMZFWAUIQ-WAYWQWQTSA-N 2 2 345.491 1.452 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C\c3cnn(C)c3)CC2)CC1 ZINC000817658439 593620512 /nfs/dbraw/zinc/62/05/12/593620512.db2.gz BZACQEMZFWAUIQ-WAYWQWQTSA-N 2 2 345.491 1.452 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccnc(F)c3)CC2)CC1 ZINC000817659702 593620723 /nfs/dbraw/zinc/62/07/23/593620723.db2.gz XVEYSKJRVFEMAG-UHFFFAOYSA-N 2 2 334.439 1.853 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccnc(F)c3)CC2)CC1 ZINC000817659702 593620724 /nfs/dbraw/zinc/62/07/24/593620724.db2.gz XVEYSKJRVFEMAG-UHFFFAOYSA-N 2 2 334.439 1.853 20 0 EDADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000817913554 593648153 /nfs/dbraw/zinc/64/81/53/593648153.db2.gz JDYKQHIYKIVKKQ-JKSUJKDBSA-N 3 2 325.497 1.772 20 0 EDADLP COc1cccc([C@H](C[NH2+]CCC(=O)N(C)OC)[NH+]2CCCC2)c1 ZINC000818942663 593729210 /nfs/dbraw/zinc/72/92/10/593729210.db2.gz NKAJJXBYOLGMJW-KRWDZBQOSA-N 2 2 335.448 1.832 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000819079053 593737626 /nfs/dbraw/zinc/73/76/26/593737626.db2.gz QIUYGJHUQDOLCP-WBVHZDCISA-N 2 2 340.489 1.588 20 0 EDADLP Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2=O)cc1 ZINC000819111280 593739386 /nfs/dbraw/zinc/73/93/86/593739386.db2.gz NMWJPEBUMQZCOV-ZWKOTPCHSA-N 2 2 331.460 1.535 20 0 EDADLP Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2=O)cc1 ZINC000819111280 593739387 /nfs/dbraw/zinc/73/93/87/593739387.db2.gz NMWJPEBUMQZCOV-ZWKOTPCHSA-N 2 2 331.460 1.535 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000820230339 593800936 /nfs/dbraw/zinc/80/09/36/593800936.db2.gz DHNFFOUSVRNTCV-UHFFFAOYSA-N 2 2 335.411 1.845 20 0 EDADLP CC1(C)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH+]1CCOCC1 ZINC000823795416 593860591 /nfs/dbraw/zinc/86/05/91/593860591.db2.gz BJKNQSBQSVWOIA-HZPDHXFCSA-N 2 2 328.416 1.792 20 0 EDADLP CC[NH+](CC)C[C@H](C)Nc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000821182146 593984699 /nfs/dbraw/zinc/98/46/99/593984699.db2.gz RXKHJBRLFOCZQY-LBPRGKRZSA-N 2 2 325.420 1.979 20 0 EDADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000822423665 594046797 /nfs/dbraw/zinc/04/67/97/594046797.db2.gz GRXBOXOGBXDIFF-QGZVFWFLSA-N 2 2 333.501 1.816 20 0 EDADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000822423665 594046799 /nfs/dbraw/zinc/04/67/99/594046799.db2.gz GRXBOXOGBXDIFF-QGZVFWFLSA-N 2 2 333.501 1.816 20 0 EDADLP CCOC(=O)N1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000824650514 594050733 /nfs/dbraw/zinc/05/07/33/594050733.db2.gz SKDJYDBJZMQGRG-UHFFFAOYSA-N 2 2 329.404 1.932 20 0 EDADLP CCOC(=O)N1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000824650514 594050734 /nfs/dbraw/zinc/05/07/34/594050734.db2.gz SKDJYDBJZMQGRG-UHFFFAOYSA-N 2 2 329.404 1.932 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824698519 594058477 /nfs/dbraw/zinc/05/84/77/594058477.db2.gz LXLUARKKTKGHBI-NSHDSACASA-N 2 2 336.465 1.205 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824698519 594058478 /nfs/dbraw/zinc/05/84/78/594058478.db2.gz LXLUARKKTKGHBI-NSHDSACASA-N 2 2 336.465 1.205 20 0 EDADLP COC(=O)CC[C@@H]([NH3+])c1nc(-c2cccnc2-n2cc[nH+]c2)no1 ZINC000822746801 594094988 /nfs/dbraw/zinc/09/49/88/594094988.db2.gz MZTMYPUMEGOHHQ-LLVKDONJSA-N 2 2 328.332 1.270 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822774102 594098442 /nfs/dbraw/zinc/09/84/42/594098442.db2.gz AERVVBCFTATLBJ-YPMHNXCESA-N 2 2 334.291 1.984 20 0 EDADLP COC[C@@]1(c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)CC[NH2+]C1 ZINC000822832171 594108277 /nfs/dbraw/zinc/10/82/77/594108277.db2.gz SNHRUQLAIZFLSD-MRXNPFEDSA-N 2 2 326.360 1.195 20 0 EDADLP Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]1 ZINC000825180716 594143144 /nfs/dbraw/zinc/14/31/44/594143144.db2.gz OBWLOCIGXBOWPY-QGZVFWFLSA-N 2 2 348.410 1.757 20 0 EDADLP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000825199265 594146508 /nfs/dbraw/zinc/14/65/08/594146508.db2.gz VFRSXKPDVQBRGR-ZWKOTPCHSA-N 2 2 329.444 1.882 20 0 EDADLP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000825199265 594146510 /nfs/dbraw/zinc/14/65/10/594146510.db2.gz VFRSXKPDVQBRGR-ZWKOTPCHSA-N 2 2 329.444 1.882 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)Cc3ccc[nH+]c3N2C1 ZINC000825258042 594157056 /nfs/dbraw/zinc/15/70/56/594157056.db2.gz IIJXVONCZDCZLI-BHYGNILZSA-N 2 2 344.459 1.359 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)Cc3ccc[nH+]c3N2C1 ZINC000825258042 594157058 /nfs/dbraw/zinc/15/70/58/594157058.db2.gz IIJXVONCZDCZLI-BHYGNILZSA-N 2 2 344.459 1.359 20 0 EDADLP CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000825278683 594160675 /nfs/dbraw/zinc/16/06/75/594160675.db2.gz HTWXELQWAUFMDB-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000825278683 594160676 /nfs/dbraw/zinc/16/06/76/594160676.db2.gz HTWXELQWAUFMDB-OAHLLOKOSA-N 2 2 328.420 1.503 20 0 EDADLP CCn1nc(C)c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)n1 ZINC000823579582 594218827 /nfs/dbraw/zinc/21/88/27/594218827.db2.gz SZSSTWFWHRORMV-MRXNPFEDSA-N 2 2 348.520 1.746 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000827774143 594276001 /nfs/dbraw/zinc/27/60/01/594276001.db2.gz CTEBJRZWZXOXTP-SFHVURJKSA-N 2 2 330.476 1.641 20 0 EDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000827774143 594276003 /nfs/dbraw/zinc/27/60/03/594276003.db2.gz CTEBJRZWZXOXTP-SFHVURJKSA-N 2 2 330.476 1.641 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000827935552 594306227 /nfs/dbraw/zinc/30/62/27/594306227.db2.gz QBUFYUBUHVEYFY-GOSISDBHSA-N 2 2 331.460 1.909 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000827935552 594306229 /nfs/dbraw/zinc/30/62/29/594306229.db2.gz QBUFYUBUHVEYFY-GOSISDBHSA-N 2 2 331.460 1.909 20 0 EDADLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1-c1nn[nH]n1 ZINC000826194669 594372074 /nfs/dbraw/zinc/37/20/74/594372074.db2.gz SDSQVTHULRBIDY-UHFFFAOYSA-N 2 2 342.447 1.936 20 0 EDADLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1-c1nn[nH]n1 ZINC000826194669 594372076 /nfs/dbraw/zinc/37/20/76/594372076.db2.gz SDSQVTHULRBIDY-UHFFFAOYSA-N 2 2 342.447 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000826364296 594446234 /nfs/dbraw/zinc/44/62/34/594446234.db2.gz QYMJBDKLDXGWOE-LBPRGKRZSA-N 2 2 327.367 1.729 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC000826364296 594446235 /nfs/dbraw/zinc/44/62/35/594446235.db2.gz QYMJBDKLDXGWOE-LBPRGKRZSA-N 2 2 327.367 1.729 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C3([NH+](C)C)CC3)CC2)cc1 ZINC000828768452 594499256 /nfs/dbraw/zinc/49/92/56/594499256.db2.gz PUOXQSYWJSMODS-UHFFFAOYSA-N 2 2 330.476 1.932 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)C3([NH+](C)C)CC3)CC2)cc1 ZINC000828768452 594499258 /nfs/dbraw/zinc/49/92/58/594499258.db2.gz PUOXQSYWJSMODS-UHFFFAOYSA-N 2 2 330.476 1.932 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000826556222 594525081 /nfs/dbraw/zinc/52/50/81/594525081.db2.gz FEPJPAZCFSJEKA-KRWDZBQOSA-N 2 2 342.443 1.668 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC000826556222 594525083 /nfs/dbraw/zinc/52/50/83/594525083.db2.gz FEPJPAZCFSJEKA-KRWDZBQOSA-N 2 2 342.443 1.668 20 0 EDADLP C[C@@H](C(=O)N1Cc2ccc[nH+]c2N2CCC[C@H]2C1)[NH+]1CCSCC1 ZINC000829059340 594559715 /nfs/dbraw/zinc/55/97/15/594559715.db2.gz LYPRDFJFGCYTBI-HOCLYGCPSA-N 2 2 346.500 1.830 20 0 EDADLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](C)C1 ZINC000832122738 594727967 /nfs/dbraw/zinc/72/79/67/594727967.db2.gz SKYAWWDIAMNXPM-HNAYVOBHSA-N 2 2 349.450 1.820 20 0 EDADLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](C)C1 ZINC000832122738 594727968 /nfs/dbraw/zinc/72/79/68/594727968.db2.gz SKYAWWDIAMNXPM-HNAYVOBHSA-N 2 2 349.450 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2F)[C@@H](C[NH3+])C1 ZINC000841068304 594846913 /nfs/dbraw/zinc/84/69/13/594846913.db2.gz YSDNWRTZBDSJFJ-ZDUSSCGKSA-N 2 2 349.410 1.059 20 0 EDADLP NC(=O)COc1ccc(C[NH2+]C[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000841069480 594847058 /nfs/dbraw/zinc/84/70/58/594847058.db2.gz XMKNUAUREFDOBT-GOSISDBHSA-N 2 2 325.412 1.527 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000841100582 594851289 /nfs/dbraw/zinc/85/12/89/594851289.db2.gz ZYPACXNTPWDDNH-LBPRGKRZSA-N 2 2 337.859 1.523 20 0 EDADLP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000841100582 594851290 /nfs/dbraw/zinc/85/12/90/594851290.db2.gz ZYPACXNTPWDDNH-LBPRGKRZSA-N 2 2 337.859 1.523 20 0 EDADLP Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])C2)cc1 ZINC000841839072 594962141 /nfs/dbraw/zinc/96/21/41/594962141.db2.gz MCMIDHZMJYOMMJ-AEFFLSMTSA-N 2 2 345.491 1.248 20 0 EDADLP Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])C2)cc1 ZINC000841839072 594962144 /nfs/dbraw/zinc/96/21/44/594962144.db2.gz MCMIDHZMJYOMMJ-AEFFLSMTSA-N 2 2 345.491 1.248 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843368398 595089740 /nfs/dbraw/zinc/08/97/40/595089740.db2.gz RNDLDWOTIMDNEU-PIGZYNQJSA-N 2 2 329.404 1.281 20 0 EDADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843368398 595089742 /nfs/dbraw/zinc/08/97/42/595089742.db2.gz RNDLDWOTIMDNEU-PIGZYNQJSA-N 2 2 329.404 1.281 20 0 EDADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H]1CC[NH3+] ZINC000846226370 595179169 /nfs/dbraw/zinc/17/91/69/595179169.db2.gz LMCVETCRNMSFDS-NHYWBVRUSA-N 2 2 331.420 1.656 20 0 EDADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[C@H]1CC[NH3+] ZINC000846226370 595179173 /nfs/dbraw/zinc/17/91/73/595179173.db2.gz LMCVETCRNMSFDS-NHYWBVRUSA-N 2 2 331.420 1.656 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C[C@H]1C[NH3+] ZINC000846226582 595179216 /nfs/dbraw/zinc/17/92/16/595179216.db2.gz QBDSSXUCRYDKQH-BPQIPLTHSA-N 2 2 331.460 1.786 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)C[C@H]1C[NH3+] ZINC000846226582 595179221 /nfs/dbraw/zinc/17/92/21/595179221.db2.gz QBDSSXUCRYDKQH-BPQIPLTHSA-N 2 2 331.460 1.786 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000843122416 595292324 /nfs/dbraw/zinc/29/23/24/595292324.db2.gz SEKOOUAAIOKUQL-ZDUSSCGKSA-N 3 2 339.509 1.024 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])s1 ZINC000843122416 595292326 /nfs/dbraw/zinc/29/23/26/595292326.db2.gz SEKOOUAAIOKUQL-ZDUSSCGKSA-N 3 2 339.509 1.024 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000846673534 595298141 /nfs/dbraw/zinc/29/81/41/595298141.db2.gz VKAUEJRDHQRSQS-GOSISDBHSA-N 2 2 332.492 1.615 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[N@@H+]3CC[C@@H](C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000844219897 595305626 /nfs/dbraw/zinc/30/56/26/595305626.db2.gz OHOJKHHVGJMSAV-XHSDSOJGSA-N 2 2 346.475 1.519 20 0 EDADLP C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000844219897 595305627 /nfs/dbraw/zinc/30/56/27/595305627.db2.gz OHOJKHHVGJMSAV-XHSDSOJGSA-N 2 2 346.475 1.519 20 0 EDADLP C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000844225573 595309007 /nfs/dbraw/zinc/30/90/07/595309007.db2.gz RMPABMRXQDXJRV-RHSMWYFYSA-N 2 2 345.491 1.536 20 0 EDADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000106550851 595318874 /nfs/dbraw/zinc/31/88/74/595318874.db2.gz KACWMMVNKSLZMB-CQSZACIVSA-N 2 2 349.479 1.142 20 0 EDADLP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1 ZINC000844334932 595327436 /nfs/dbraw/zinc/32/74/36/595327436.db2.gz MANFBHHHFKVGOY-HNNXBMFYSA-N 2 2 338.448 1.049 20 0 EDADLP OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848536439 595403473 /nfs/dbraw/zinc/40/34/73/595403473.db2.gz PCSLWNBGLHCUSR-GBESFXJTSA-N 2 2 334.460 1.314 20 0 EDADLP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000849018485 595474761 /nfs/dbraw/zinc/47/47/61/595474761.db2.gz ACWFSHVVJUQJKP-IRXDYDNUSA-N 2 2 332.448 1.180 20 0 EDADLP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000849018485 595474764 /nfs/dbraw/zinc/47/47/64/595474764.db2.gz ACWFSHVVJUQJKP-IRXDYDNUSA-N 2 2 332.448 1.180 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000849325939 595506366 /nfs/dbraw/zinc/50/63/66/595506366.db2.gz YEFRSXJSBMCUIF-UONOGXRCSA-N 2 2 329.485 1.725 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000849325939 595506368 /nfs/dbraw/zinc/50/63/68/595506368.db2.gz YEFRSXJSBMCUIF-UONOGXRCSA-N 2 2 329.485 1.725 20 0 EDADLP O[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000850529504 595528965 /nfs/dbraw/zinc/52/89/65/595528965.db2.gz QRVWCCFMKWOXQB-UXHICEINSA-N 2 2 345.487 1.551 20 0 EDADLP O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c2ccccc21 ZINC000850529504 595528974 /nfs/dbraw/zinc/52/89/74/595528974.db2.gz QRVWCCFMKWOXQB-UXHICEINSA-N 2 2 345.487 1.551 20 0 EDADLP Cc1[nH]c(-c2cccc(NC(=O)c3cn(CC[NH3+])nn3)c2)[nH+]c1C ZINC000852794990 595546374 /nfs/dbraw/zinc/54/63/74/595546374.db2.gz TZOIBCJCMNNOAG-UHFFFAOYSA-N 2 2 325.376 1.496 20 0 EDADLP C[C@H](c1cccc(NC(=O)C2=NO[C@H](C[NH3+])C2)c1)[NH+]1CCOCC1 ZINC000852867248 595586944 /nfs/dbraw/zinc/58/69/44/595586944.db2.gz SGZAMYMIICZJAV-DOMZBBRYSA-N 2 2 332.404 1.122 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000115549525 595598073 /nfs/dbraw/zinc/59/80/73/595598073.db2.gz CFZDONSVDGPFRE-QGZVFWFLSA-N 2 2 328.403 1.777 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000115549525 595598075 /nfs/dbraw/zinc/59/80/75/595598075.db2.gz CFZDONSVDGPFRE-QGZVFWFLSA-N 2 2 328.403 1.777 20 0 EDADLP [NH3+]C[C@H]1CC(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)=NO1 ZINC000852888704 595600410 /nfs/dbraw/zinc/60/04/10/595600410.db2.gz ZTYCGERIVBIQGB-CYBMUJFWSA-N 2 2 337.383 1.644 20 0 EDADLP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000857982889 595676144 /nfs/dbraw/zinc/67/61/44/595676144.db2.gz NPYYFKWBUZQROH-SJLPKXTDSA-N 2 2 340.427 1.642 20 0 EDADLP COC(=O)Nc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000855416541 595705512 /nfs/dbraw/zinc/70/55/12/595705512.db2.gz NQTBEOUHZXEDKT-UHFFFAOYSA-N 2 2 336.436 1.478 20 0 EDADLP COC(=O)Nc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000855416541 595705516 /nfs/dbraw/zinc/70/55/16/595705516.db2.gz NQTBEOUHZXEDKT-UHFFFAOYSA-N 2 2 336.436 1.478 20 0 EDADLP Cn1ccnc1[C@@](O)(C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858135360 595709292 /nfs/dbraw/zinc/70/92/92/595709292.db2.gz SBDKOMZRUSMKNZ-RISCZKNCSA-N 2 2 334.386 1.632 20 0 EDADLP Cn1ccnc1[C@@](O)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(F)(F)F ZINC000858135360 595709294 /nfs/dbraw/zinc/70/92/94/595709294.db2.gz SBDKOMZRUSMKNZ-RISCZKNCSA-N 2 2 334.386 1.632 20 0 EDADLP CC(C)(C)OC(=O)NC1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000858298793 595757045 /nfs/dbraw/zinc/75/70/45/595757045.db2.gz YGEOKRSGKFJYKZ-YMAMQOFZSA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(C)OC(=O)NC1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000858298793 595757050 /nfs/dbraw/zinc/75/70/50/595757050.db2.gz YGEOKRSGKFJYKZ-YMAMQOFZSA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)[C@@H]1CCN(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000853505522 595773256 /nfs/dbraw/zinc/77/32/56/595773256.db2.gz YXCQMKJKMXQMDQ-BZSNNMDCSA-N 2 2 336.524 1.406 20 0 EDADLP CC(C)[C@@H]1CCN(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000853505522 595773259 /nfs/dbraw/zinc/77/32/59/595773259.db2.gz YXCQMKJKMXQMDQ-BZSNNMDCSA-N 2 2 336.524 1.406 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000853589998 595818709 /nfs/dbraw/zinc/81/87/09/595818709.db2.gz PIZDPAUNNSPBMZ-HNNXBMFYSA-N 2 2 342.447 1.939 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000853589998 595818711 /nfs/dbraw/zinc/81/87/11/595818711.db2.gz PIZDPAUNNSPBMZ-HNNXBMFYSA-N 2 2 342.447 1.939 20 0 EDADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000858599881 595838543 /nfs/dbraw/zinc/83/85/43/595838543.db2.gz REOAMEVIYCPAPM-RYUDHWBXSA-N 2 2 326.828 1.108 20 0 EDADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000858599881 595838549 /nfs/dbraw/zinc/83/85/49/595838549.db2.gz REOAMEVIYCPAPM-RYUDHWBXSA-N 2 2 326.828 1.108 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851881161 595961937 /nfs/dbraw/zinc/96/19/37/595961937.db2.gz KBKWWIUOAQLZSA-OAHLLOKOSA-N 2 2 338.452 1.841 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851881161 595961940 /nfs/dbraw/zinc/96/19/40/595961940.db2.gz KBKWWIUOAQLZSA-OAHLLOKOSA-N 2 2 338.452 1.841 20 0 EDADLP O=C1NCCCN1c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000854232625 596009568 /nfs/dbraw/zinc/00/95/68/596009568.db2.gz WALCNYZJMOYWOJ-MSOLQXFVSA-N 2 2 344.459 1.463 20 0 EDADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585893 596022910 /nfs/dbraw/zinc/02/29/10/596022910.db2.gz NANKRSNHNBJKNP-MSOLQXFVSA-N 2 2 347.459 1.938 20 0 EDADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585893 596022913 /nfs/dbraw/zinc/02/29/13/596022913.db2.gz NANKRSNHNBJKNP-MSOLQXFVSA-N 2 2 347.459 1.938 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585893 596022917 /nfs/dbraw/zinc/02/29/17/596022917.db2.gz NANKRSNHNBJKNP-MSOLQXFVSA-N 2 2 347.459 1.938 20 0 EDADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C(=O)OC)C3CC3)C2)ccn1 ZINC000856585893 596022922 /nfs/dbraw/zinc/02/29/22/596022922.db2.gz NANKRSNHNBJKNP-MSOLQXFVSA-N 2 2 347.459 1.938 20 0 EDADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000861551014 596027098 /nfs/dbraw/zinc/02/70/98/596027098.db2.gz CIYOYUVWOYEOTN-OAHLLOKOSA-N 2 2 328.420 1.407 20 0 EDADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000859356579 596062858 /nfs/dbraw/zinc/06/28/58/596062858.db2.gz SPDRXMIPABNRIE-RDJZCZTQSA-N 2 2 346.475 1.514 20 0 EDADLP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000854410560 596067308 /nfs/dbraw/zinc/06/73/08/596067308.db2.gz AROOQLJAAPMTGP-INIZCTEOSA-N 2 2 349.479 1.664 20 0 EDADLP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000854410560 596067312 /nfs/dbraw/zinc/06/73/12/596067312.db2.gz AROOQLJAAPMTGP-INIZCTEOSA-N 2 2 349.479 1.664 20 0 EDADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000854736226 596181618 /nfs/dbraw/zinc/18/16/18/596181618.db2.gz CKPADEWNAUKADH-GOSISDBHSA-N 2 2 325.416 1.825 20 0 EDADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-n3cc[nH+]c3)nc1)C2 ZINC000854736226 596181620 /nfs/dbraw/zinc/18/16/20/596181620.db2.gz CKPADEWNAUKADH-GOSISDBHSA-N 2 2 325.416 1.825 20 0 EDADLP O=C([C@@H]1CCCN(CC(F)F)C1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000868631176 596253326 /nfs/dbraw/zinc/25/33/26/596253326.db2.gz GXWGJLJCWHPCLS-CABCVRRESA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@@H]1CCC[N@@H+](CC(F)F)C1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000868631176 596253327 /nfs/dbraw/zinc/25/33/27/596253327.db2.gz GXWGJLJCWHPCLS-CABCVRRESA-N 2 2 345.434 1.287 20 0 EDADLP O=C([C@@H]1CCC[N@H+](CC(F)F)C1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000868631176 596253330 /nfs/dbraw/zinc/25/33/30/596253330.db2.gz GXWGJLJCWHPCLS-CABCVRRESA-N 2 2 345.434 1.287 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000868734849 596289823 /nfs/dbraw/zinc/28/98/23/596289823.db2.gz ASGKTRVRYPJBRC-PBHICJAKSA-N 2 2 328.416 1.424 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000868734849 596289826 /nfs/dbraw/zinc/28/98/26/596289826.db2.gz ASGKTRVRYPJBRC-PBHICJAKSA-N 2 2 328.416 1.424 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000866712313 596304900 /nfs/dbraw/zinc/30/49/00/596304900.db2.gz SRHYTIXWYWTWRR-CFVMTHIKSA-N 2 2 339.798 1.846 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000866712313 596304903 /nfs/dbraw/zinc/30/49/03/596304903.db2.gz SRHYTIXWYWTWRR-CFVMTHIKSA-N 2 2 339.798 1.846 20 0 EDADLP CNC(=O)C[N@@H+](Cc1ccccc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000866725000 596311130 /nfs/dbraw/zinc/31/11/30/596311130.db2.gz QDFUABWTKAXEGU-SFHVURJKSA-N 2 2 341.455 1.986 20 0 EDADLP CNC(=O)C[N@H+](Cc1ccccc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000866725000 596311136 /nfs/dbraw/zinc/31/11/36/596311136.db2.gz QDFUABWTKAXEGU-SFHVURJKSA-N 2 2 341.455 1.986 20 0 EDADLP CCc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc(=O)[nH]1 ZINC000870666310 596314688 /nfs/dbraw/zinc/31/46/88/596314688.db2.gz DDACYUNZDDLIBW-UHFFFAOYSA-N 2 2 341.415 1.749 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000864773113 596347681 /nfs/dbraw/zinc/34/76/81/596347681.db2.gz ODZZEABTXYFQLW-UTCJRWHESA-N 2 2 329.444 1.049 20 0 EDADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000864773113 596347685 /nfs/dbraw/zinc/34/76/85/596347685.db2.gz ODZZEABTXYFQLW-UTCJRWHESA-N 2 2 329.444 1.049 20 0 EDADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000867470635 596384738 /nfs/dbraw/zinc/38/47/38/596384738.db2.gz RSOCYJDHTBVQEM-MPOLOKODSA-N 2 2 331.460 1.682 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C1 ZINC000870885841 596389673 /nfs/dbraw/zinc/38/96/73/596389673.db2.gz OLEBVLRBDGPYRU-JRBPQWBISA-N 2 2 343.471 1.174 20 0 EDADLP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000870964908 596420434 /nfs/dbraw/zinc/42/04/34/596420434.db2.gz DMLQUKXUUAFZOV-FMKPAKJESA-N 2 2 334.439 1.190 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000870978626 596425853 /nfs/dbraw/zinc/42/58/53/596425853.db2.gz XNVUIYDAPBUMBU-SZMVWBNQSA-N 2 2 333.476 1.685 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000870978626 596425854 /nfs/dbraw/zinc/42/58/54/596425854.db2.gz XNVUIYDAPBUMBU-SZMVWBNQSA-N 2 2 333.476 1.685 20 0 EDADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864956889 596428006 /nfs/dbraw/zinc/42/80/06/596428006.db2.gz PFENFAINOBXXED-KKMIYCERSA-N 2 2 331.460 1.164 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000869237337 596456860 /nfs/dbraw/zinc/45/68/60/596456860.db2.gz SCZNBHMXTWCGMY-LSDHHAIUSA-N 3 2 348.482 1.352 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[NH+](CC(F)F)C1 ZINC000869237337 596456862 /nfs/dbraw/zinc/45/68/62/596456862.db2.gz SCZNBHMXTWCGMY-LSDHHAIUSA-N 3 2 348.482 1.352 20 0 EDADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000869237337 596456866 /nfs/dbraw/zinc/45/68/66/596456866.db2.gz SCZNBHMXTWCGMY-LSDHHAIUSA-N 3 2 348.482 1.352 20 0 EDADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000869237337 596456869 /nfs/dbraw/zinc/45/68/69/596456869.db2.gz SCZNBHMXTWCGMY-LSDHHAIUSA-N 3 2 348.482 1.352 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCO1 ZINC000865094068 596472562 /nfs/dbraw/zinc/47/25/62/596472562.db2.gz OFDJFESRDKGFAG-UHFFFAOYSA-N 2 2 334.395 1.243 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCO1 ZINC000865094068 596472564 /nfs/dbraw/zinc/47/25/64/596472564.db2.gz OFDJFESRDKGFAG-UHFFFAOYSA-N 2 2 334.395 1.243 20 0 EDADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000865105265 596476763 /nfs/dbraw/zinc/47/67/63/596476763.db2.gz VVMIXSTVWKCKBK-GOSISDBHSA-N 2 2 342.443 1.610 20 0 EDADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000865105265 596476765 /nfs/dbraw/zinc/47/67/65/596476765.db2.gz VVMIXSTVWKCKBK-GOSISDBHSA-N 2 2 342.443 1.610 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000871286085 596524803 /nfs/dbraw/zinc/52/48/03/596524803.db2.gz YKIACPITMIHZRN-ROUUACIJSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000871286085 596524805 /nfs/dbraw/zinc/52/48/05/596524805.db2.gz YKIACPITMIHZRN-ROUUACIJSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000871286085 596524807 /nfs/dbraw/zinc/52/48/07/596524807.db2.gz YKIACPITMIHZRN-ROUUACIJSA-N 2 2 331.460 1.406 20 0 EDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000871286085 596524810 /nfs/dbraw/zinc/52/48/10/596524810.db2.gz YKIACPITMIHZRN-ROUUACIJSA-N 2 2 331.460 1.406 20 0 EDADLP CC(=O)NCC1CCC([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000865406328 596564829 /nfs/dbraw/zinc/56/48/29/596564829.db2.gz QAHARQCFIDNMDZ-BXXOZEPKSA-N 2 2 325.497 1.770 20 0 EDADLP CC(=O)NCC1CCC([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000865406328 596564832 /nfs/dbraw/zinc/56/48/32/596564832.db2.gz QAHARQCFIDNMDZ-BXXOZEPKSA-N 2 2 325.497 1.770 20 0 EDADLP COc1ncc(Br)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000865508566 596594387 /nfs/dbraw/zinc/59/43/87/596594387.db2.gz GIRJVPMJMKWAOP-CYBMUJFWSA-N 2 2 332.242 1.255 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC[C@H]1C(F)(F)F ZINC000863552097 596615919 /nfs/dbraw/zinc/61/59/19/596615919.db2.gz JWMCAICCUFKOTI-MRVWCRGKSA-N 2 2 349.397 1.225 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC[C@H]1C(F)(F)F ZINC000863552097 596615921 /nfs/dbraw/zinc/61/59/21/596615921.db2.gz JWMCAICCUFKOTI-MRVWCRGKSA-N 2 2 349.397 1.225 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000865659296 596641153 /nfs/dbraw/zinc/64/11/53/596641153.db2.gz LKOLMAAQKDOCSM-WDSOQIARSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000865659296 596641155 /nfs/dbraw/zinc/64/11/55/596641155.db2.gz LKOLMAAQKDOCSM-WDSOQIARSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659296 596641157 /nfs/dbraw/zinc/64/11/57/596641157.db2.gz LKOLMAAQKDOCSM-WDSOQIARSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659296 596641159 /nfs/dbraw/zinc/64/11/59/596641159.db2.gz LKOLMAAQKDOCSM-WDSOQIARSA-N 2 2 331.504 1.942 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C3([NH+](C)C)CCC3)c[nH+]2)C[C@H](C)O1 ZINC000119601129 596669533 /nfs/dbraw/zinc/66/95/33/596669533.db2.gz OXALEVIEBNOTKL-GASCZTMLSA-N 2 2 346.475 1.796 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000865768708 596674987 /nfs/dbraw/zinc/67/49/87/596674987.db2.gz AAAWNRIXJUYWFA-SUMDDJOVSA-N 2 2 345.443 1.318 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000865768708 596674990 /nfs/dbraw/zinc/67/49/90/596674990.db2.gz AAAWNRIXJUYWFA-SUMDDJOVSA-N 2 2 345.443 1.318 20 0 EDADLP Cn1c[nH+]cc1CCO[NH+]=C(N)[C@@H]1CCC(=O)N(CC2CCCC2)C1 ZINC000871766948 596689675 /nfs/dbraw/zinc/68/96/75/596689675.db2.gz FWCNNTRFMWFDJQ-OAHLLOKOSA-N 2 2 347.463 1.890 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCCN(c2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000865924122 596723516 /nfs/dbraw/zinc/72/35/16/596723516.db2.gz HCXQHHFSANAARU-KRWDZBQOSA-N 2 2 332.452 1.474 20 0 EDADLP CC(C)(O)C[N@@H+]1CC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000865998625 596753400 /nfs/dbraw/zinc/75/34/00/596753400.db2.gz PIDJJCJBILMJRH-ZDUSSCGKSA-N 2 2 337.493 1.287 20 0 EDADLP CC(C)(O)C[N@H+]1CC[C@H](Nc2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000865998625 596753401 /nfs/dbraw/zinc/75/34/01/596753401.db2.gz PIDJJCJBILMJRH-ZDUSSCGKSA-N 2 2 337.493 1.287 20 0 EDADLP [NH3+]CC12CCC(CC1)N2C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000868289734 596768964 /nfs/dbraw/zinc/76/89/64/596768964.db2.gz RFOGRBHHYUBUJL-UHFFFAOYSA-N 2 2 339.399 1.293 20 0 EDADLP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000868312049 596784007 /nfs/dbraw/zinc/78/40/07/596784007.db2.gz JPQAWTUNDNIRCA-SFHVURJKSA-N 2 2 343.431 1.496 20 0 EDADLP C[C@@H](CNC(=O)N1CCN(C)c2[nH+]cccc2C1)C[NH+]1CCCC1 ZINC000868358332 596800185 /nfs/dbraw/zinc/80/01/85/596800185.db2.gz PNJVDCBZPXPRBK-HNNXBMFYSA-N 2 2 331.464 1.775 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2scnc2Cl)C1 ZINC000872146874 596811247 /nfs/dbraw/zinc/81/12/47/596811247.db2.gz ZOFWSKFBRRPLLU-AEJSXWLSSA-N 2 2 328.825 1.163 20 0 EDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2scnc2Cl)C1 ZINC000872146874 596811248 /nfs/dbraw/zinc/81/12/48/596811248.db2.gz ZOFWSKFBRRPLLU-AEJSXWLSSA-N 2 2 328.825 1.163 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC000872148937 596811677 /nfs/dbraw/zinc/81/16/77/596811677.db2.gz LNJMMFHOOBRKIH-SCDSUCTJSA-N 2 2 333.398 1.845 20 0 EDADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC000872148937 596811682 /nfs/dbraw/zinc/81/16/82/596811682.db2.gz LNJMMFHOOBRKIH-SCDSUCTJSA-N 2 2 333.398 1.845 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)CC[C@H]21 ZINC000866207747 596827648 /nfs/dbraw/zinc/82/76/48/596827648.db2.gz JPGBEKCSQNDCEP-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)[nH+]cn3)CC[C@H]21 ZINC000866207747 596827650 /nfs/dbraw/zinc/82/76/50/596827650.db2.gz JPGBEKCSQNDCEP-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)CC[C@H]21 ZINC000866207747 596827651 /nfs/dbraw/zinc/82/76/51/596827651.db2.gz JPGBEKCSQNDCEP-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCCC[C@@H]4CO)nc[nH+]3)CC[C@H]21 ZINC000866207747 596827653 /nfs/dbraw/zinc/82/76/53/596827653.db2.gz JPGBEKCSQNDCEP-BZUAXINKSA-N 2 2 331.464 1.358 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(C)c3[nH+]cccc3C1)C2 ZINC000872309772 596877114 /nfs/dbraw/zinc/87/71/14/596877114.db2.gz XGKGGPSRNXLJFQ-AWEZNQCLSA-N 2 2 325.416 1.628 20 0 EDADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[NH+](CC(F)F)C3)[C@H]2C1 ZINC000868569709 596886183 /nfs/dbraw/zinc/88/61/83/596886183.db2.gz UBHOQIWZPGOORG-SOUVJXGZSA-N 2 2 345.434 1.285 20 0 EDADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[NH+](CC(F)F)C3)[C@H]2C1 ZINC000868569709 596886185 /nfs/dbraw/zinc/88/61/85/596886185.db2.gz UBHOQIWZPGOORG-SOUVJXGZSA-N 2 2 345.434 1.285 20 0 EDADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+](CC(F)F)C3)[C@H]2C1 ZINC000868569709 596886186 /nfs/dbraw/zinc/88/61/86/596886186.db2.gz UBHOQIWZPGOORG-SOUVJXGZSA-N 2 2 345.434 1.285 20 0 EDADLP CC[NH+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+](CC(F)F)C3)[C@H]2C1 ZINC000868569709 596886189 /nfs/dbraw/zinc/88/61/89/596886189.db2.gz UBHOQIWZPGOORG-SOUVJXGZSA-N 2 2 345.434 1.285 20 0 EDADLP CN1CC[NH+](Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000874041911 596905690 /nfs/dbraw/zinc/90/56/90/596905690.db2.gz MDEZQAPWYSAOMO-UHFFFAOYSA-N 2 2 330.476 1.146 20 0 EDADLP Cn1ncc2c1nc(Cl)nc2NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000872477119 596927816 /nfs/dbraw/zinc/92/78/16/596927816.db2.gz DHVHWNRLVVZAME-UHFFFAOYSA-N 2 2 337.859 1.455 20 0 EDADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000872778515 597064020 /nfs/dbraw/zinc/06/40/20/597064020.db2.gz AXYQATYZZCPPIK-ARFHVFGLSA-N 2 2 331.464 1.501 20 0 EDADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000872778515 597064023 /nfs/dbraw/zinc/06/40/23/597064023.db2.gz AXYQATYZZCPPIK-ARFHVFGLSA-N 2 2 331.464 1.501 20 0 EDADLP Cc1csc([C@H]2CC[N@@H+](CN3C[C@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000872806251 597078474 /nfs/dbraw/zinc/07/84/74/597078474.db2.gz MOJDFKHETXGUQA-UONOGXRCSA-N 2 2 345.472 1.948 20 0 EDADLP Cc1csc([C@H]2CC[N@H+](CN3C[C@H](c4c[nH+]cn4C)CC3=O)C2)n1 ZINC000872806251 597078476 /nfs/dbraw/zinc/07/84/76/597078476.db2.gz MOJDFKHETXGUQA-UONOGXRCSA-N 2 2 345.472 1.948 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000876208944 597138064 /nfs/dbraw/zinc/13/80/64/597138064.db2.gz WNXCTKCEYFXWJH-QGZVFWFLSA-N 2 2 346.475 1.271 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000876208944 597138066 /nfs/dbraw/zinc/13/80/66/597138066.db2.gz WNXCTKCEYFXWJH-QGZVFWFLSA-N 2 2 346.475 1.271 20 0 EDADLP CN(C(=O)NCc1c[nH+]cn1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000876306073 597167105 /nfs/dbraw/zinc/16/71/05/597167105.db2.gz ZXWCSXYPRXKCPF-UHFFFAOYSA-N 2 2 347.385 1.978 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)[C@@H]1CCSC1 ZINC000874893100 597211902 /nfs/dbraw/zinc/21/19/02/597211902.db2.gz OQEYZGWTSABXGG-CVEARBPZSA-N 2 2 337.464 1.736 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1)[C@@H]1CCSC1 ZINC000874893100 597211906 /nfs/dbraw/zinc/21/19/06/597211906.db2.gz OQEYZGWTSABXGG-CVEARBPZSA-N 2 2 337.464 1.736 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccsc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000876542683 597233929 /nfs/dbraw/zinc/23/39/29/597233929.db2.gz RPYUBHXSLWXCOV-QUCGXOGASA-N 2 2 333.379 1.881 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C\c2ccsc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000876542683 597233931 /nfs/dbraw/zinc/23/39/31/597233931.db2.gz RPYUBHXSLWXCOV-QUCGXOGASA-N 2 2 333.379 1.881 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCCCC1 ZINC000875020795 597247501 /nfs/dbraw/zinc/24/75/01/597247501.db2.gz UJUNBNUBNGVZIZ-MRXNPFEDSA-N 2 2 326.485 1.272 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1CCCCC1 ZINC000875020795 597247504 /nfs/dbraw/zinc/24/75/04/597247504.db2.gz UJUNBNUBNGVZIZ-MRXNPFEDSA-N 2 2 326.485 1.272 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)Cc2ccc[nH+]c21 ZINC000875094001 597278463 /nfs/dbraw/zinc/27/84/63/597278463.db2.gz XYJPHNFBUKFUMF-CVEARBPZSA-N 2 2 329.448 1.670 20 0 EDADLP CN1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)Cc2ccc[nH+]c21 ZINC000875094001 597278464 /nfs/dbraw/zinc/27/84/64/597278464.db2.gz XYJPHNFBUKFUMF-CVEARBPZSA-N 2 2 329.448 1.670 20 0 EDADLP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000876731284 597311179 /nfs/dbraw/zinc/31/11/79/597311179.db2.gz PPPILWDDHKDBDZ-HIFRSBDPSA-N 2 2 330.436 1.379 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876742777 597317269 /nfs/dbraw/zinc/31/72/69/597317269.db2.gz TUFWKZPLOXQVTM-DWTRPJMMSA-N 3 2 334.508 1.217 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000875194028 597322801 /nfs/dbraw/zinc/32/28/01/597322801.db2.gz GPLKMTOGRLVTAA-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CCC1([NH+](C)C)CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000875194028 597322806 /nfs/dbraw/zinc/32/28/06/597322806.db2.gz GPLKMTOGRLVTAA-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@H](C[C@@H](C)O)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875295984 597373194 /nfs/dbraw/zinc/37/31/94/597373194.db2.gz YEGUZSYTNNVQHB-KFWWJZLASA-N 2 2 326.485 1.004 20 0 EDADLP CC[C@H](C[C@@H](C)O)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875295984 597373197 /nfs/dbraw/zinc/37/31/97/597373197.db2.gz YEGUZSYTNNVQHB-KFWWJZLASA-N 2 2 326.485 1.004 20 0 EDADLP CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876971497 597402134 /nfs/dbraw/zinc/40/21/34/597402134.db2.gz IVQPZRKKPUAAIJ-SCTDSRPQSA-N 3 2 334.508 1.146 20 0 EDADLP CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876971497 597402135 /nfs/dbraw/zinc/40/21/35/597402135.db2.gz IVQPZRKKPUAAIJ-SCTDSRPQSA-N 3 2 334.508 1.146 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000877398569 597509572 /nfs/dbraw/zinc/50/95/72/597509572.db2.gz GJNHGGHAQJSGMY-ZIAGYGMSSA-N 2 2 329.485 1.582 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000877398569 597509573 /nfs/dbraw/zinc/50/95/73/597509573.db2.gz GJNHGGHAQJSGMY-ZIAGYGMSSA-N 2 2 329.485 1.582 20 0 EDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3nc(Cl)cs3)CC2)CC1 ZINC000877523043 597530544 /nfs/dbraw/zinc/53/05/44/597530544.db2.gz VMZWCFSTWCHQDG-UHFFFAOYSA-N 2 2 342.896 1.783 20 0 EDADLP O=S1(=O)C[C@@H]2CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC000877788278 597556772 /nfs/dbraw/zinc/55/67/72/597556772.db2.gz UQUNRIXVXPDWKO-JKSUJKDBSA-N 2 2 331.441 1.739 20 0 EDADLP O=S1(=O)C[C@@H]2CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC000877788278 597556773 /nfs/dbraw/zinc/55/67/73/597556773.db2.gz UQUNRIXVXPDWKO-JKSUJKDBSA-N 2 2 331.441 1.739 20 0 EDADLP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878109850 597579282 /nfs/dbraw/zinc/57/92/82/597579282.db2.gz YAUYOZWZBRHXBZ-QGZVFWFLSA-N 2 2 326.481 1.351 20 0 EDADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000878109850 597579283 /nfs/dbraw/zinc/57/92/83/597579283.db2.gz YAUYOZWZBRHXBZ-QGZVFWFLSA-N 2 2 326.481 1.351 20 0 EDADLP NC(=O)c1ccc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000878552429 597632882 /nfs/dbraw/zinc/63/28/82/597632882.db2.gz PBDHVFVOHGJXIU-SFHVURJKSA-N 2 2 331.460 1.515 20 0 EDADLP NC(=O)c1ccc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000878552429 597632883 /nfs/dbraw/zinc/63/28/83/597632883.db2.gz PBDHVFVOHGJXIU-SFHVURJKSA-N 2 2 331.460 1.515 20 0 EDADLP COc1ccc(CN2CC[C@H]([N@@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)C2=O)cc1 ZINC000879580933 597641757 /nfs/dbraw/zinc/64/17/57/597641757.db2.gz WBOCQMGPHISLHU-WDSOQIARSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(CN2CC[C@H]([N@H+]3CC[C@H]4[C@@H](CC[NH+]4C)C3)C2=O)cc1 ZINC000879580933 597641759 /nfs/dbraw/zinc/64/17/59/597641759.db2.gz WBOCQMGPHISLHU-WDSOQIARSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH+]3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)C2=O)cc1 ZINC000879580933 597641760 /nfs/dbraw/zinc/64/17/60/597641760.db2.gz WBOCQMGPHISLHU-WDSOQIARSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(CN2CC[C@H]([NH+]3CC[C@H]4[C@@H](CC[N@H+]4C)C3)C2=O)cc1 ZINC000879580933 597641762 /nfs/dbraw/zinc/64/17/62/597641762.db2.gz WBOCQMGPHISLHU-WDSOQIARSA-N 2 2 343.471 1.822 20 0 EDADLP c1[nH]nc2c1[C@H]([NH2+][C@@H]1CCCN(CC[NH+]3CCOCC3)C1)CCC2 ZINC000883371222 597725463 /nfs/dbraw/zinc/72/54/63/597725463.db2.gz BJAROCRABSGBGY-NVXWUHKLSA-N 2 2 333.480 1.173 20 0 EDADLP C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883370790 597725690 /nfs/dbraw/zinc/72/56/90/597725690.db2.gz RVOTUDJDFZXEPC-KURKYZTESA-N 2 2 325.497 1.188 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCc3ccns3)C2)CC1 ZINC000883417341 597738991 /nfs/dbraw/zinc/73/89/91/597738991.db2.gz XNVCXWYBUNKKLD-ZDUSSCGKSA-N 2 2 337.493 1.153 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCc3ccns3)C2)CC1 ZINC000883417341 597738994 /nfs/dbraw/zinc/73/89/94/597738994.db2.gz XNVCXWYBUNKKLD-ZDUSSCGKSA-N 2 2 337.493 1.153 20 0 EDADLP C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000881877464 597771124 /nfs/dbraw/zinc/77/11/24/597771124.db2.gz UVRPDGOWYDIHFP-HNNXBMFYSA-N 2 2 334.445 1.206 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098506 597840807 /nfs/dbraw/zinc/84/08/07/597840807.db2.gz OZAAZZHGLMMGND-YPMHNXCESA-N 2 2 335.370 1.690 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880098506 597840809 /nfs/dbraw/zinc/84/08/09/597840809.db2.gz OZAAZZHGLMMGND-YPMHNXCESA-N 2 2 335.370 1.690 20 0 EDADLP CCOC(=O)c1cnn(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000132540602 597860615 /nfs/dbraw/zinc/86/06/15/597860615.db2.gz VDNKIKKNDQKVJN-UHFFFAOYSA-N 2 2 336.436 1.062 20 0 EDADLP CC(C)(C)OCCC[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000880411350 597925664 /nfs/dbraw/zinc/92/56/64/597925664.db2.gz CDEQDVBCPRCDDB-UHFFFAOYSA-N 2 2 327.513 1.532 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C[NH+](C)C)C2)O1 ZINC000882587589 597999349 /nfs/dbraw/zinc/99/93/49/597999349.db2.gz HCWCBFDLOOEULT-VQIMIIECSA-N 2 2 331.460 1.440 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)C[NH+](C)C)C2)O1 ZINC000882587589 597999351 /nfs/dbraw/zinc/99/93/51/597999351.db2.gz HCWCBFDLOOEULT-VQIMIIECSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH2+]CCOc1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000884176351 598015120 /nfs/dbraw/zinc/01/51/20/598015120.db2.gz CVMGMERWBSYFRO-UHFFFAOYSA-N 2 2 340.427 1.642 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884180981 598017271 /nfs/dbraw/zinc/01/72/71/598017271.db2.gz RGGGOZQYQZTWAD-QGZVFWFLSA-N 2 2 345.487 1.893 20 0 EDADLP O=C(CC[NH+]1CCOCC1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873981 598091544 /nfs/dbraw/zinc/09/15/44/598091544.db2.gz QYBZEXMZTMKVDN-KRWDZBQOSA-N 2 2 328.416 1.463 20 0 EDADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030987842 695093067 /nfs/dbraw/zinc/09/30/67/695093067.db2.gz UENRXXCUFZLTKT-QGTPRVQTSA-N 2 2 331.460 1.167 20 0 EDADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030987842 695093070 /nfs/dbraw/zinc/09/30/70/695093070.db2.gz UENRXXCUFZLTKT-QGTPRVQTSA-N 2 2 331.460 1.167 20 0 EDADLP COc1ccc(C)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939861178 699984568 /nfs/dbraw/zinc/98/45/68/699984568.db2.gz NFLWLCGUUVEJIK-NVXWUHKLSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939856193 699994745 /nfs/dbraw/zinc/99/47/45/699994745.db2.gz KELGGNMIWXAPLJ-OCCSQVGLSA-N 2 2 333.823 1.568 20 0 EDADLP Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)n1 ZINC000992854085 695409396 /nfs/dbraw/zinc/40/93/96/695409396.db2.gz GNWUIBGLKKWVPY-FVQBIDKESA-N 2 2 342.447 1.103 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@H]2C1 ZINC000992850408 695410202 /nfs/dbraw/zinc/41/02/02/695410202.db2.gz GDTPRIVAULFVGX-RRQGHBQHSA-N 2 2 343.431 1.368 20 0 EDADLP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)cn1 ZINC000992860469 695418873 /nfs/dbraw/zinc/41/88/73/695418873.db2.gz NMSGQLBSRQXLQZ-BZUAXINKSA-N 2 2 342.447 1.103 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCC3)[C@H]2C1 ZINC000992861143 695419423 /nfs/dbraw/zinc/41/94/23/695419423.db2.gz VCPHRYHLBLDBLH-RYQLBKOJSA-N 2 2 330.476 1.979 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@@H]32)co1 ZINC000992871994 695420229 /nfs/dbraw/zinc/42/02/29/695420229.db2.gz FUODZZJFZSMMHM-VNQPRFMTSA-N 2 2 343.431 1.666 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]32)co1 ZINC000992871991 695420265 /nfs/dbraw/zinc/42/02/65/695420265.db2.gz FUODZZJFZSMMHM-NUEKZKHPSA-N 2 2 343.431 1.666 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001015608772 695785613 /nfs/dbraw/zinc/78/56/13/695785613.db2.gz UMAFBAIBVUPWQL-CHWSQXEVSA-N 2 2 337.386 1.239 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCC(F)(F)F)C2)C1 ZINC001015608772 695785615 /nfs/dbraw/zinc/78/56/15/695785615.db2.gz UMAFBAIBVUPWQL-CHWSQXEVSA-N 2 2 337.386 1.239 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC(F)(F)F)C2)C1 ZINC001015608772 695785617 /nfs/dbraw/zinc/78/56/17/695785617.db2.gz UMAFBAIBVUPWQL-CHWSQXEVSA-N 2 2 337.386 1.239 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC(F)(F)F)C2)C1 ZINC001015608772 695785618 /nfs/dbraw/zinc/78/56/18/695785618.db2.gz UMAFBAIBVUPWQL-CHWSQXEVSA-N 2 2 337.386 1.239 20 0 EDADLP CCn1cc(CC[NH+]2CC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)cn1 ZINC001031254385 696030322 /nfs/dbraw/zinc/03/03/22/696030322.db2.gz QZEYXQQWLCQSAJ-WMZOPIPTSA-N 2 2 347.507 1.366 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1Cc1cncn1C ZINC000993559725 696242985 /nfs/dbraw/zinc/24/29/85/696242985.db2.gz CDSXQMKVLSUODB-WBVHZDCISA-N 2 2 345.491 1.518 20 0 EDADLP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@H+]1Cc1cncn1C ZINC000993559725 696242987 /nfs/dbraw/zinc/24/29/87/696242987.db2.gz CDSXQMKVLSUODB-WBVHZDCISA-N 2 2 345.491 1.518 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](Cc2cnc(C)cn2)[C@@H]1C ZINC000993588384 696265129 /nfs/dbraw/zinc/26/51/29/696265129.db2.gz JFXVSZJCZZITCV-WBVHZDCISA-N 2 2 342.447 1.459 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(C)cn2)[C@@H]1C ZINC000993588384 696265132 /nfs/dbraw/zinc/26/51/32/696265132.db2.gz JFXVSZJCZZITCV-WBVHZDCISA-N 2 2 342.447 1.459 20 0 EDADLP C[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@H+]1Cc1ccnn1C ZINC000993686583 696309296 /nfs/dbraw/zinc/30/92/96/696309296.db2.gz WMEYRTHEAGUMLQ-RDJZCZTQSA-N 2 2 347.507 1.764 20 0 EDADLP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)cn1 ZINC000994408080 696831556 /nfs/dbraw/zinc/83/15/56/696831556.db2.gz MUGMBJIALMPZMJ-WMLDXEAASA-N 2 2 331.464 1.350 20 0 EDADLP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)cn1 ZINC000994408080 696831561 /nfs/dbraw/zinc/83/15/61/696831561.db2.gz MUGMBJIALMPZMJ-WMLDXEAASA-N 2 2 331.464 1.350 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCC1CCOCC1 ZINC000994513295 696959044 /nfs/dbraw/zinc/95/90/44/696959044.db2.gz ZWVJSAVLTBHXEO-DOTOQJQBSA-N 2 2 334.464 1.669 20 0 EDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCC1CCOCC1 ZINC000994513295 696959047 /nfs/dbraw/zinc/95/90/47/696959047.db2.gz ZWVJSAVLTBHXEO-DOTOQJQBSA-N 2 2 334.464 1.669 20 0 EDADLP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(CO)on1 ZINC000925440804 697048180 /nfs/dbraw/zinc/04/81/80/697048180.db2.gz MGVLMNBQIBBSHO-CYBMUJFWSA-N 2 2 346.431 1.309 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031418243 697068079 /nfs/dbraw/zinc/06/80/79/697068079.db2.gz JKCVCNRNUMZKNG-OAHLLOKOSA-N 2 2 345.434 1.333 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001031418243 697068082 /nfs/dbraw/zinc/06/80/82/697068082.db2.gz JKCVCNRNUMZKNG-OAHLLOKOSA-N 2 2 345.434 1.333 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031418941 697072562 /nfs/dbraw/zinc/07/25/62/697072562.db2.gz PIEFUMCEQGLVKJ-HIFRSBDPSA-N 2 2 345.434 1.333 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001031418941 697072564 /nfs/dbraw/zinc/07/25/64/697072564.db2.gz PIEFUMCEQGLVKJ-HIFRSBDPSA-N 2 2 345.434 1.333 20 0 EDADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001031419336 697073285 /nfs/dbraw/zinc/07/32/85/697073285.db2.gz XQIXELHNZOHHRE-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001031419336 697073287 /nfs/dbraw/zinc/07/32/87/697073287.db2.gz XQIXELHNZOHHRE-GOSISDBHSA-N 2 2 337.508 1.868 20 0 EDADLP C[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](CO)C2)([NH+]2CCCCC2)CC1 ZINC000920604258 697451252 /nfs/dbraw/zinc/45/12/52/697451252.db2.gz RXXOPCDBSGTHBL-WKILWMFISA-N 2 2 338.496 1.007 20 0 EDADLP CC[C@H](C[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1)OC ZINC001031685957 697515810 /nfs/dbraw/zinc/51/58/10/697515810.db2.gz HPXXOQRHEFUEEK-RHSMWYFYSA-N 2 2 349.479 1.263 20 0 EDADLP Cc1cc(N2CCC(NC(=O)NC[C@H]3CC[N@H+]3C)CC2)nc(C)[nH+]1 ZINC000921340035 697561819 /nfs/dbraw/zinc/56/18/19/697561819.db2.gz SWGMXHXUJNBFJC-OAHLLOKOSA-N 2 2 332.452 1.066 20 0 EDADLP Cc1cc(N2CCC(NC(=O)NC[C@H]3CC[N@@H+]3C)CC2)nc(C)[nH+]1 ZINC000921340035 697561820 /nfs/dbraw/zinc/56/18/20/697561820.db2.gz SWGMXHXUJNBFJC-OAHLLOKOSA-N 2 2 332.452 1.066 20 0 EDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000921388342 697587881 /nfs/dbraw/zinc/58/78/81/697587881.db2.gz GFGAMYUBZQHQCT-HUUCEWRRSA-N 2 2 328.501 1.373 20 0 EDADLP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC000943176752 697871618 /nfs/dbraw/zinc/87/16/18/697871618.db2.gz LKTATYSCJYUGTA-CXAGYDPISA-N 2 2 344.463 1.292 20 0 EDADLP Cc1cc(C)n(CC[N@H+]2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)[C@H](C)C2)n1 ZINC000943176752 697871621 /nfs/dbraw/zinc/87/16/21/697871621.db2.gz LKTATYSCJYUGTA-CXAGYDPISA-N 2 2 344.463 1.292 20 0 EDADLP Cc1noc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H](C)C2)n1 ZINC000943755567 698828500 /nfs/dbraw/zinc/82/85/00/698828500.db2.gz GMYPMSBKXNUPSK-ZBFHGGJFSA-N 2 2 349.479 1.437 20 0 EDADLP Cc1noc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)[C@H](C)C2)n1 ZINC000943755567 698828503 /nfs/dbraw/zinc/82/85/03/698828503.db2.gz GMYPMSBKXNUPSK-ZBFHGGJFSA-N 2 2 349.479 1.437 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)CC1 ZINC000943757012 698834376 /nfs/dbraw/zinc/83/43/76/698834376.db2.gz YWAPFYCFTRANLL-ZBFHGGJFSA-N 2 2 335.452 1.128 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)CC1 ZINC000943757012 698834379 /nfs/dbraw/zinc/83/43/79/698834379.db2.gz YWAPFYCFTRANLL-ZBFHGGJFSA-N 2 2 335.452 1.128 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939054164 699114387 /nfs/dbraw/zinc/11/43/87/699114387.db2.gz FLBKGIBDDCZIOI-UKRRQHHQSA-N 2 2 349.479 1.471 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995157055 701567985 /nfs/dbraw/zinc/56/79/85/701567985.db2.gz BLXBZDRRPULMIB-OCCSQVGLSA-N 2 2 340.418 1.882 20 0 EDADLP O=C(NCC1C[NH+](CCc2cccs2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031779484 699183196 /nfs/dbraw/zinc/18/31/96/699183196.db2.gz SBWMTBCEVLNBFT-HNNXBMFYSA-N 2 2 344.484 1.798 20 0 EDADLP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001031782831 699205087 /nfs/dbraw/zinc/20/50/87/699205087.db2.gz NBQWXCLHGRUCSB-INIZCTEOSA-N 2 2 330.476 1.930 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939127358 699205120 /nfs/dbraw/zinc/20/51/20/699205120.db2.gz COQBHATXKITESH-ZBFHGGJFSA-N 2 2 348.491 1.905 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939127358 699205122 /nfs/dbraw/zinc/20/51/22/699205122.db2.gz COQBHATXKITESH-ZBFHGGJFSA-N 2 2 348.491 1.905 20 0 EDADLP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031783848 699211835 /nfs/dbraw/zinc/21/18/35/699211835.db2.gz HQXGBPNALQPUIE-QGZVFWFLSA-N 2 2 346.475 1.310 20 0 EDADLP O=C(NCC1C[NH+](C[C@H]2CCCCO2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784199 699214597 /nfs/dbraw/zinc/21/45/97/699214597.db2.gz NLOBBDJGKCPKEO-NVXWUHKLSA-N 2 2 332.448 1.063 20 0 EDADLP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC000941563722 701584091 /nfs/dbraw/zinc/58/40/91/701584091.db2.gz KWQCERYMBFKKMS-OAHLLOKOSA-N 2 2 331.464 1.068 20 0 EDADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1[NH2+]CCF ZINC000939236107 699404541 /nfs/dbraw/zinc/40/45/41/699404541.db2.gz NZDUPGFKRLSLSH-HUUCEWRRSA-N 2 2 327.444 1.037 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCN(C2C[NH+](CC3=CCCCC3)C2)CC1 ZINC000941585783 701590580 /nfs/dbraw/zinc/59/05/80/701590580.db2.gz QBHGIUAQSYQNRH-UHFFFAOYSA-N 2 2 343.475 1.281 20 0 EDADLP CCc1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)o1 ZINC000939399292 699548519 /nfs/dbraw/zinc/54/85/19/699548519.db2.gz WQSAFBNQIAGKOD-HUUCEWRRSA-N 2 2 349.479 1.300 20 0 EDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939410144 699564352 /nfs/dbraw/zinc/56/43/52/699564352.db2.gz YBRNHQRJXMATNB-CXAGYDPISA-N 2 2 340.427 1.619 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000939533799 699671742 /nfs/dbraw/zinc/67/17/42/699671742.db2.gz FJQNBSRNWQYUBZ-SUMWQHHRSA-N 2 2 330.407 1.738 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)s1 ZINC000939534101 699672461 /nfs/dbraw/zinc/67/24/61/699672461.db2.gz HPXHUCNBMGROIA-ABAIWWIYSA-N 2 2 347.488 1.673 20 0 EDADLP Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C)cc1 ZINC000939535035 699676309 /nfs/dbraw/zinc/67/63/09/699676309.db2.gz OPXPNFXMGUMIFY-QAPCUYQASA-N 2 2 326.444 1.908 20 0 EDADLP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939535895 699676869 /nfs/dbraw/zinc/67/68/69/699676869.db2.gz SLJVHCVWLSZPJS-MEDUHNTESA-N 2 2 331.420 1.204 20 0 EDADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccnc1 ZINC000939536273 699677329 /nfs/dbraw/zinc/67/73/29/699677329.db2.gz VIQODZULKGURKE-DZGCQCFKSA-N 2 2 327.432 1.719 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000939623462 699760966 /nfs/dbraw/zinc/76/09/66/699760966.db2.gz SCMZFBXKYAQUKD-IAQYHMDHSA-N 2 2 347.850 1.946 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939642754 699772180 /nfs/dbraw/zinc/77/21/80/699772180.db2.gz MMZBTOVCWAPQOZ-GUYCJALGSA-N 2 2 342.447 1.088 20 0 EDADLP Cc1cncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000995165566 701612088 /nfs/dbraw/zinc/61/20/88/701612088.db2.gz FOKYGRBZILYACZ-DOTOQJQBSA-N 2 2 341.459 1.741 20 0 EDADLP Cc1cncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC000995165571 701612126 /nfs/dbraw/zinc/61/21/26/701612126.db2.gz FOKYGRBZILYACZ-NVXWUHKLSA-N 2 2 341.459 1.741 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)oc1C ZINC000939745987 699911729 /nfs/dbraw/zinc/91/17/29/699911729.db2.gz FROPBLCOTTVEHR-IAQYHMDHSA-N 2 2 331.420 1.433 20 0 EDADLP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000940243243 700404403 /nfs/dbraw/zinc/40/44/03/700404403.db2.gz IOHOLKNDDXWDOD-UHFFFAOYSA-N 2 2 331.420 1.741 20 0 EDADLP Cc1nc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)co1 ZINC000940243435 700404761 /nfs/dbraw/zinc/40/47/61/700404761.db2.gz OIEQCXOEUIXHOS-UHFFFAOYSA-N 2 2 331.420 1.741 20 0 EDADLP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000940243420 700404843 /nfs/dbraw/zinc/40/48/43/700404843.db2.gz NSBVUVPILNCYHP-UHFFFAOYSA-N 2 2 345.451 1.056 20 0 EDADLP CC1([NH2+]Cc2nc(C3CC3)no2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000940356341 700518067 /nfs/dbraw/zinc/51/80/67/700518067.db2.gz NYATVRFKEBDCCU-UHFFFAOYSA-N 2 2 344.419 1.384 20 0 EDADLP Cc1cccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995169317 701647413 /nfs/dbraw/zinc/64/74/13/701647413.db2.gz PRVLEVVMGNPITO-HZPDHXFCSA-N 2 2 341.459 1.741 20 0 EDADLP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)o1 ZINC000940358751 700540432 /nfs/dbraw/zinc/54/04/32/700540432.db2.gz YWQJKJQHBKYXFA-ZDUSSCGKSA-N 2 2 346.435 1.697 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940426226 700619758 /nfs/dbraw/zinc/61/97/58/700619758.db2.gz KRZLTWXYOJBGCW-UHFFFAOYSA-N 2 2 334.464 1.360 20 0 EDADLP COc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH+]cn3C)CC2)on1 ZINC000940426526 700620698 /nfs/dbraw/zinc/62/06/98/700620698.db2.gz UYTXJJAROQEZKE-UHFFFAOYSA-N 2 2 347.419 1.130 20 0 EDADLP CC1([NH2+]Cc2cc(C3CC3)no2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000940484286 700671843 /nfs/dbraw/zinc/67/18/43/700671843.db2.gz VEULNBJWLFASDI-UHFFFAOYSA-N 2 2 343.431 1.919 20 0 EDADLP Cn1ccnc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940622158 700783785 /nfs/dbraw/zinc/78/37/85/700783785.db2.gz ZFNNGWWZBNISOP-GJZGRUSLSA-N 2 2 333.480 1.231 20 0 EDADLP Cn1ccnc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940622158 700783788 /nfs/dbraw/zinc/78/37/88/700783788.db2.gz ZFNNGWWZBNISOP-GJZGRUSLSA-N 2 2 333.480 1.231 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940622158 700783790 /nfs/dbraw/zinc/78/37/90/700783790.db2.gz ZFNNGWWZBNISOP-GJZGRUSLSA-N 2 2 333.480 1.231 20 0 EDADLP Cn1ccnc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940622158 700783792 /nfs/dbraw/zinc/78/37/92/700783792.db2.gz ZFNNGWWZBNISOP-GJZGRUSLSA-N 2 2 333.480 1.231 20 0 EDADLP CC1(C)C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000940744794 700882816 /nfs/dbraw/zinc/88/28/16/700882816.db2.gz LHEUBMZCPJGGNG-IRXDYDNUSA-N 2 2 346.475 1.733 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000940744794 700882818 /nfs/dbraw/zinc/88/28/18/700882818.db2.gz LHEUBMZCPJGGNG-IRXDYDNUSA-N 2 2 346.475 1.733 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+]([C@@H](C)c3cnccn3)C2)C1 ZINC001031919721 701049580 /nfs/dbraw/zinc/04/95/80/701049580.db2.gz YODUXYNIFSGGCQ-RDJZCZTQSA-N 2 2 345.491 1.708 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NCC2C[NH+]([C@@H](C)c3cnccn3)C2)C1 ZINC001031919721 701049582 /nfs/dbraw/zinc/04/95/82/701049582.db2.gz YODUXYNIFSGGCQ-RDJZCZTQSA-N 2 2 345.491 1.708 20 0 EDADLP C[C@@H](c1cnccn1)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031925816 701127618 /nfs/dbraw/zinc/12/76/18/701127618.db2.gz PFDQZGMOPVANLY-DZKIICNBSA-N 2 2 331.464 1.316 20 0 EDADLP C[C@@H](c1cnccn1)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031925816 701127620 /nfs/dbraw/zinc/12/76/20/701127620.db2.gz PFDQZGMOPVANLY-DZKIICNBSA-N 2 2 331.464 1.316 20 0 EDADLP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806143 701196304 /nfs/dbraw/zinc/19/63/04/701196304.db2.gz BAYNZMZKBKVSJC-CJNGLKHVSA-N 2 2 331.420 1.460 20 0 EDADLP CCc1nocc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806143 701196305 /nfs/dbraw/zinc/19/63/05/701196305.db2.gz BAYNZMZKBKVSJC-CJNGLKHVSA-N 2 2 331.420 1.460 20 0 EDADLP Cc1noc(CCC[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)n1 ZINC000945808068 701199248 /nfs/dbraw/zinc/19/92/48/701199248.db2.gz NLAUMQDTHRUQKG-UKRRQHHQSA-N 2 2 346.435 1.034 20 0 EDADLP Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)n1 ZINC000945808068 701199250 /nfs/dbraw/zinc/19/92/50/701199250.db2.gz NLAUMQDTHRUQKG-UKRRQHHQSA-N 2 2 346.435 1.034 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1 ZINC000945810373 701203062 /nfs/dbraw/zinc/20/30/62/701203062.db2.gz WNTBELFBILPIAQ-YOEHRIQHSA-N 2 2 343.431 1.314 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)c1 ZINC000945810373 701203065 /nfs/dbraw/zinc/20/30/65/701203065.db2.gz WNTBELFBILPIAQ-YOEHRIQHSA-N 2 2 343.431 1.314 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)nc1 ZINC000941218201 701408883 /nfs/dbraw/zinc/40/88/83/701408883.db2.gz XBGPCHYPGOIXDW-HZPDHXFCSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)nc1 ZINC000941218201 701408884 /nfs/dbraw/zinc/40/88/84/701408884.db2.gz XBGPCHYPGOIXDW-HZPDHXFCSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)nc1 ZINC000941218201 701408885 /nfs/dbraw/zinc/40/88/85/701408885.db2.gz XBGPCHYPGOIXDW-HZPDHXFCSA-N 2 2 345.491 1.453 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)nc1 ZINC000941218201 701408886 /nfs/dbraw/zinc/40/88/86/701408886.db2.gz XBGPCHYPGOIXDW-HZPDHXFCSA-N 2 2 345.491 1.453 20 0 EDADLP CC1(C)CO[C@@H](C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1 ZINC000941247485 701424606 /nfs/dbraw/zinc/42/46/06/701424606.db2.gz MJCWTSUYRYXKKU-HZPDHXFCSA-N 2 2 348.491 1.915 20 0 EDADLP CC1(C)CO[C@@H](C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1 ZINC000941247485 701424608 /nfs/dbraw/zinc/42/46/08/701424608.db2.gz MJCWTSUYRYXKKU-HZPDHXFCSA-N 2 2 348.491 1.915 20 0 EDADLP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cccc(F)c3F)C2)CC1 ZINC001031947797 701503833 /nfs/dbraw/zinc/50/38/33/701503833.db2.gz KKXDILJNVRIOHM-UHFFFAOYSA-N 2 2 337.414 1.855 20 0 EDADLP Cc1cnc([C@@H](C)[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001031948751 701519468 /nfs/dbraw/zinc/51/94/68/701519468.db2.gz NEMKMPYKDHZJBS-CQSZACIVSA-N 2 2 331.464 1.236 20 0 EDADLP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC000941433514 701539098 /nfs/dbraw/zinc/53/90/98/701539098.db2.gz YKNHXCJARIZSLE-HNNXBMFYSA-N 2 2 333.480 1.217 20 0 EDADLP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC000941433514 701539099 /nfs/dbraw/zinc/53/90/99/701539099.db2.gz YKNHXCJARIZSLE-HNNXBMFYSA-N 2 2 333.480 1.217 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2nccs2)C1 ZINC000995179486 701905761 /nfs/dbraw/zinc/90/57/61/701905761.db2.gz BJXJZZHYMWSXPJ-OLZOCXBDSA-N 2 2 333.461 1.792 20 0 EDADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000995748209 701961767 /nfs/dbraw/zinc/96/17/67/701961767.db2.gz RCAKNWRGQQYJGM-HUUCEWRRSA-N 2 2 334.464 1.738 20 0 EDADLP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995746701 701971747 /nfs/dbraw/zinc/97/17/47/701971747.db2.gz NNRWHRGKCQMLDU-CYBMUJFWSA-N 2 2 348.476 1.529 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999191503 706633890 /nfs/dbraw/zinc/63/38/90/706633890.db2.gz YPOBWZDXAQGSCC-RBSFLKMASA-N 2 2 349.479 1.443 20 0 EDADLP CCCc1noc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC000999191503 706633892 /nfs/dbraw/zinc/63/38/92/706633892.db2.gz YPOBWZDXAQGSCC-RBSFLKMASA-N 2 2 349.479 1.443 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC2(C)C)C1 ZINC000995892414 702191935 /nfs/dbraw/zinc/19/19/35/702191935.db2.gz NOAPCAUIMRIAGF-HZPDHXFCSA-N 2 2 348.491 1.984 20 0 EDADLP CC1(C)CO[C@@H](C[NH2+][C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC2(C)C)C1 ZINC000995892414 702191940 /nfs/dbraw/zinc/19/19/40/702191940.db2.gz NOAPCAUIMRIAGF-HZPDHXFCSA-N 2 2 348.491 1.984 20 0 EDADLP Cc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)[nH]1 ZINC000995887442 702225966 /nfs/dbraw/zinc/22/59/66/702225966.db2.gz PCPZJZXHNAJSMO-OCCSQVGLSA-N 2 2 348.495 1.485 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995889557 702230107 /nfs/dbraw/zinc/23/01/07/702230107.db2.gz WENSCOGQEDMQDT-ZDUSSCGKSA-N 2 2 335.452 1.189 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)on1 ZINC000944097764 702264291 /nfs/dbraw/zinc/26/42/91/702264291.db2.gz KQWCDSUWHDWFBR-MLGOLLRUSA-N 2 2 331.420 1.286 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)[C@H](C)C2)on1 ZINC000944097764 702264297 /nfs/dbraw/zinc/26/42/97/702264297.db2.gz KQWCDSUWHDWFBR-MLGOLLRUSA-N 2 2 331.420 1.286 20 0 EDADLP C[N@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1)C1CCC1 ZINC000995916521 702277144 /nfs/dbraw/zinc/27/71/44/702277144.db2.gz IVEDXIOUWSONPU-CQSZACIVSA-N 2 2 337.493 1.349 20 0 EDADLP C[N@@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cnsn2)C(C)(C)C1)C1CCC1 ZINC000995916521 702277150 /nfs/dbraw/zinc/27/71/50/702277150.db2.gz IVEDXIOUWSONPU-CQSZACIVSA-N 2 2 337.493 1.349 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CCc2cccs2)C1 ZINC001031986830 702407020 /nfs/dbraw/zinc/40/70/20/702407020.db2.gz GPANPRINLALHEU-HZPDHXFCSA-N 2 2 344.484 1.876 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]Cc2cc(C)n(C)n2)C(C)(C)C1 ZINC000996042177 702458447 /nfs/dbraw/zinc/45/84/47/702458447.db2.gz KJNQJJDQHNVCBB-INIZCTEOSA-N 2 2 344.463 1.260 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)C(C)(C)C1 ZINC000996080215 702485891 /nfs/dbraw/zinc/48/58/91/702485891.db2.gz CXQIEMHXUPHIAJ-JKSUJKDBSA-N 2 2 348.491 1.606 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]C[C@@H]2CCOC2)C(C)(C)C1 ZINC000996089156 702498086 /nfs/dbraw/zinc/49/80/86/702498086.db2.gz YSFHWYIUMNTGBI-GJZGRUSLSA-N 2 2 334.464 1.216 20 0 EDADLP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC000996090346 702500502 /nfs/dbraw/zinc/50/05/02/702500502.db2.gz HLXJOVCWIPYFKW-PBHICJAKSA-N 2 2 342.443 1.693 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996105315 702565429 /nfs/dbraw/zinc/56/54/29/702565429.db2.gz IOZXTVJYYGGMSJ-INIZCTEOSA-N 2 2 342.447 1.398 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnsn2)C1 ZINC000995205011 702620129 /nfs/dbraw/zinc/62/01/29/702620129.db2.gz YUJIQSQNNQVDLS-STQMWFEESA-N 2 2 334.449 1.118 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996299967 702691036 /nfs/dbraw/zinc/69/10/36/702691036.db2.gz HOWZQNNADWZYPP-UKRRQHHQSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996299967 702691037 /nfs/dbraw/zinc/69/10/37/702691037.db2.gz HOWZQNNADWZYPP-UKRRQHHQSA-N 2 2 334.464 1.794 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2(C)C)[nH]1 ZINC000996310316 702699824 /nfs/dbraw/zinc/69/98/24/702699824.db2.gz LVQUUPDIRDHQPR-CQSZACIVSA-N 2 2 348.495 1.172 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2(C)C)[nH]1 ZINC000996310316 702699826 /nfs/dbraw/zinc/69/98/26/702699826.db2.gz LVQUUPDIRDHQPR-CQSZACIVSA-N 2 2 348.495 1.172 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000996512075 702831421 /nfs/dbraw/zinc/83/14/21/702831421.db2.gz AFESBDYLYCEFIT-INIZCTEOSA-N 2 2 345.422 1.524 20 0 EDADLP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC000995241675 702899667 /nfs/dbraw/zinc/89/96/67/702899667.db2.gz NKFXSSLDBGHMLW-KGLIPLIRSA-N 2 2 333.461 1.723 20 0 EDADLP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)oc1C ZINC000996614040 702919322 /nfs/dbraw/zinc/91/93/22/702919322.db2.gz YFRLQMHJKFGENA-HNNXBMFYSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)oc1C ZINC000996614045 702919427 /nfs/dbraw/zinc/91/94/27/702919427.db2.gz YFRLQMHJKFGENA-OAHLLOKOSA-N 2 2 334.464 1.714 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)cn1 ZINC000996652460 702941919 /nfs/dbraw/zinc/94/19/19/702941919.db2.gz VVWYBFRSEIBJCX-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)cn1 ZINC000996652460 702941921 /nfs/dbraw/zinc/94/19/21/702941921.db2.gz VVWYBFRSEIBJCX-UHFFFAOYSA-N 2 2 328.420 1.222 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996649391 702951139 /nfs/dbraw/zinc/95/11/39/702951139.db2.gz CLMNDQAJPWCVSD-UHFFFAOYSA-N 2 2 342.443 1.615 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996649391 702951142 /nfs/dbraw/zinc/95/11/42/702951142.db2.gz CLMNDQAJPWCVSD-UHFFFAOYSA-N 2 2 342.443 1.615 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000995251968 702981676 /nfs/dbraw/zinc/98/16/76/702981676.db2.gz RCLJGFPGINFMLH-LSDHHAIUSA-N 2 2 328.420 1.056 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995256200 703004111 /nfs/dbraw/zinc/00/41/11/703004111.db2.gz YRZKXHGJOLWPTB-BBRMVZONSA-N 2 2 331.395 1.492 20 0 EDADLP COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC000995256754 703006004 /nfs/dbraw/zinc/00/60/04/703006004.db2.gz ZYYWEIPBVSAFGI-HUUCEWRRSA-N 2 2 343.431 1.361 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)s1 ZINC000996711164 703006157 /nfs/dbraw/zinc/00/61/57/703006157.db2.gz BQPDGJGITMILER-CYBMUJFWSA-N 2 2 333.461 1.675 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000996715311 703010107 /nfs/dbraw/zinc/01/01/07/703010107.db2.gz HVLDZOOOSYMQOM-UHFFFAOYSA-N 2 2 344.415 1.710 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000996721764 703016849 /nfs/dbraw/zinc/01/68/49/703016849.db2.gz HKHYUEBKGNRWKO-DOMZBBRYSA-N 2 2 335.452 1.504 20 0 EDADLP Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000996721764 703016852 /nfs/dbraw/zinc/01/68/52/703016852.db2.gz HKHYUEBKGNRWKO-DOMZBBRYSA-N 2 2 335.452 1.504 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)on1 ZINC000942518736 703019937 /nfs/dbraw/zinc/01/99/37/703019937.db2.gz VZPKLGWSIRGYDH-DOMZBBRYSA-N 2 2 347.419 1.215 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)on1 ZINC000942518736 703019938 /nfs/dbraw/zinc/01/99/38/703019938.db2.gz VZPKLGWSIRGYDH-DOMZBBRYSA-N 2 2 347.419 1.215 20 0 EDADLP CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)o1 ZINC000942518528 703020090 /nfs/dbraw/zinc/02/00/90/703020090.db2.gz STTCMYKBEHMNPI-GXTWGEPZSA-N 2 2 346.435 1.164 20 0 EDADLP CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)[C@@H](C)C2)o1 ZINC000942518528 703020093 /nfs/dbraw/zinc/02/00/93/703020093.db2.gz STTCMYKBEHMNPI-GXTWGEPZSA-N 2 2 346.435 1.164 20 0 EDADLP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)co1 ZINC000996732208 703029333 /nfs/dbraw/zinc/02/93/33/703029333.db2.gz OOHIOBUKYPWNFM-CQSZACIVSA-N 2 2 343.431 1.523 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996734348 703031004 /nfs/dbraw/zinc/03/10/04/703031004.db2.gz XGIUZBAAUFDDGS-ZDUSSCGKSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)o1 ZINC000996735124 703031520 /nfs/dbraw/zinc/03/15/20/703031520.db2.gz ZCQFJPDDGSTUPY-AWEZNQCLSA-N 2 2 343.431 1.523 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccon2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555346 703068866 /nfs/dbraw/zinc/06/88/66/703068866.db2.gz JBZSEGRMWPEBES-ZBFHGGJFSA-N 2 2 334.464 1.876 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccon2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555346 703068869 /nfs/dbraw/zinc/06/88/69/703068869.db2.gz JBZSEGRMWPEBES-ZBFHGGJFSA-N 2 2 334.464 1.876 20 0 EDADLP Cc1cc(C)c(C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)c(C)[nH+]1 ZINC000996831997 703120337 /nfs/dbraw/zinc/12/03/37/703120337.db2.gz STWZSOYYYUGKKE-HNNXBMFYSA-N 2 2 330.432 1.090 20 0 EDADLP Cc1ncsc1C[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996834246 703121984 /nfs/dbraw/zinc/12/19/84/703121984.db2.gz MRNDBIFEKYFNIY-UHFFFAOYSA-N 2 2 347.488 1.898 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996853715 703132247 /nfs/dbraw/zinc/13/22/47/703132247.db2.gz FPNLHTVIMDFABC-QWHCGFSZSA-N 2 2 330.354 1.520 20 0 EDADLP CCn1ncnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996979610 703234884 /nfs/dbraw/zinc/23/48/84/703234884.db2.gz NOBAFVUZYJIPAZ-ZBFHGGJFSA-N 2 2 348.495 1.109 20 0 EDADLP CCn1ncnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000996979610 703234887 /nfs/dbraw/zinc/23/48/87/703234887.db2.gz NOBAFVUZYJIPAZ-ZBFHGGJFSA-N 2 2 348.495 1.109 20 0 EDADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996989289 703246425 /nfs/dbraw/zinc/24/64/25/703246425.db2.gz MUYQWHAZIJSSAU-GOEBONIOSA-N 2 2 346.475 1.837 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2cccc(Cl)n2)CC1 ZINC000997039493 703290637 /nfs/dbraw/zinc/29/06/37/703290637.db2.gz DAKMYNBPYAGINJ-UHFFFAOYSA-N 2 2 333.823 1.781 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cn1 ZINC000997040273 703291000 /nfs/dbraw/zinc/29/10/00/703291000.db2.gz FMEWIOSUFPAYGG-CYBMUJFWSA-N 2 2 328.420 1.392 20 0 EDADLP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997042646 703292474 /nfs/dbraw/zinc/29/24/74/703292474.db2.gz SEDRRQPNJUNXDF-UHFFFAOYSA-N 2 2 331.420 1.592 20 0 EDADLP Cc1cc(C[NH2+]C2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)no1 ZINC000997047076 703296209 /nfs/dbraw/zinc/29/62/09/703296209.db2.gz WBIQUKQMRNUPLY-ZDUSSCGKSA-N 2 2 331.420 1.911 20 0 EDADLP C[C@H](CC(=O)N1CCC([NH2+]CCn2cccn2)CC1)n1cc[nH+]c1 ZINC000997047479 703301171 /nfs/dbraw/zinc/30/11/71/703301171.db2.gz YUXPOQGIHPAWFZ-OAHLLOKOSA-N 2 2 330.436 1.312 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821377 703329748 /nfs/dbraw/zinc/32/97/48/703329748.db2.gz DYGTUWDMZDIPRB-DZGCQCFKSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821377 703329749 /nfs/dbraw/zinc/32/97/49/703329749.db2.gz DYGTUWDMZDIPRB-DZGCQCFKSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[NH+](Cc2cnon2)CC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821377 703329752 /nfs/dbraw/zinc/32/97/52/703329752.db2.gz DYGTUWDMZDIPRB-DZGCQCFKSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[NH+](Cc2cnon2)CC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821377 703329754 /nfs/dbraw/zinc/32/97/54/703329754.db2.gz DYGTUWDMZDIPRB-DZGCQCFKSA-N 2 2 335.452 1.128 20 0 EDADLP Cc1ccc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)c(C)n1 ZINC000997123047 703379795 /nfs/dbraw/zinc/37/97/95/703379795.db2.gz FOMIAAWMGHDJSN-UHFFFAOYSA-N 2 2 327.432 1.745 20 0 EDADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001032407471 703433217 /nfs/dbraw/zinc/43/32/17/703433217.db2.gz FASJAAYKYCWQFM-OKZBNKHCSA-N 2 2 326.444 1.209 20 0 EDADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001032407471 703433218 /nfs/dbraw/zinc/43/32/18/703433218.db2.gz FASJAAYKYCWQFM-OKZBNKHCSA-N 2 2 326.444 1.209 20 0 EDADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000997179108 703463079 /nfs/dbraw/zinc/46/30/79/703463079.db2.gz XLZLTMUHNCKHMK-VXGBXAGGSA-N 2 2 343.431 1.267 20 0 EDADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001032417285 703498133 /nfs/dbraw/zinc/49/81/33/703498133.db2.gz VJZQYWDLZGERSV-GRDNDAEWSA-N 2 2 331.464 1.875 20 0 EDADLP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001032417285 703498134 /nfs/dbraw/zinc/49/81/34/703498134.db2.gz VJZQYWDLZGERSV-GRDNDAEWSA-N 2 2 331.464 1.875 20 0 EDADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001032417285 703498136 /nfs/dbraw/zinc/49/81/36/703498136.db2.gz VJZQYWDLZGERSV-GRDNDAEWSA-N 2 2 331.464 1.875 20 0 EDADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001032417285 703498137 /nfs/dbraw/zinc/49/81/37/703498137.db2.gz VJZQYWDLZGERSV-GRDNDAEWSA-N 2 2 331.464 1.875 20 0 EDADLP Cc1ncc(C[NH2+]C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)cn1 ZINC000997235729 703522994 /nfs/dbraw/zinc/52/29/94/703522994.db2.gz CEGYQBJOJHSABB-UHFFFAOYSA-N 2 2 342.447 1.232 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ncc(C)cn2)CC1 ZINC000997309642 703566963 /nfs/dbraw/zinc/56/69/63/703566963.db2.gz NGVDTHPNDLCTJI-UHFFFAOYSA-N 2 2 328.420 1.071 20 0 EDADLP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000997309395 703567059 /nfs/dbraw/zinc/56/70/59/703567059.db2.gz JPYHJDQCLZGLDS-CYBMUJFWSA-N 2 2 331.420 1.830 20 0 EDADLP COc1ccnc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000997412552 703668270 /nfs/dbraw/zinc/66/82/70/703668270.db2.gz DJDZSGIDWDETTM-UHFFFAOYSA-N 2 2 329.404 1.068 20 0 EDADLP CN(C)c1cc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)ccn1 ZINC000997413328 703668323 /nfs/dbraw/zinc/66/83/23/703668323.db2.gz LOJTXODHYZCSCU-UHFFFAOYSA-N 2 2 342.447 1.125 20 0 EDADLP CC(C)c1nsc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000997415871 703669087 /nfs/dbraw/zinc/66/90/87/703669087.db2.gz GEFRQXRDRUCAMD-UHFFFAOYSA-N 2 2 348.476 1.639 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCOC1 ZINC001032477653 703706881 /nfs/dbraw/zinc/70/68/81/703706881.db2.gz ORPBKLXHURQHHR-KBMXLJTQSA-N 2 2 340.427 1.888 20 0 EDADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCCOC1 ZINC001032477653 703706882 /nfs/dbraw/zinc/70/68/82/703706882.db2.gz ORPBKLXHURQHHR-KBMXLJTQSA-N 2 2 340.427 1.888 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001033083186 704141138 /nfs/dbraw/zinc/14/11/38/704141138.db2.gz WBKDWRQNXJPUKP-LSDHHAIUSA-N 2 2 334.489 1.518 20 0 EDADLP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001033083186 704141140 /nfs/dbraw/zinc/14/11/40/704141140.db2.gz WBKDWRQNXJPUKP-LSDHHAIUSA-N 2 2 334.489 1.518 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033080212 704145319 /nfs/dbraw/zinc/14/53/19/704145319.db2.gz FPABKHNXHVRYPN-HOTGVXAUSA-N 2 2 332.448 1.358 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033080212 704145322 /nfs/dbraw/zinc/14/53/22/704145322.db2.gz FPABKHNXHVRYPN-HOTGVXAUSA-N 2 2 332.448 1.358 20 0 EDADLP CCO[C@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)C[NH+](C)C ZINC000922753767 704314055 /nfs/dbraw/zinc/31/40/55/704314055.db2.gz JMKYERBNEVXRHX-OAHLLOKOSA-N 2 2 337.855 1.977 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)n1 ZINC000947933546 704558691 /nfs/dbraw/zinc/55/86/91/704558691.db2.gz CCGKYSXGINLISW-UONOGXRCSA-N 2 2 347.463 1.197 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)n1 ZINC000947933546 704558692 /nfs/dbraw/zinc/55/86/92/704558692.db2.gz CCGKYSXGINLISW-UONOGXRCSA-N 2 2 347.463 1.197 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000997739329 704636995 /nfs/dbraw/zinc/63/69/95/704636995.db2.gz VEDATQWDRGSPKR-VQIMIIECSA-N 2 2 346.475 1.597 20 0 EDADLP CCc1noc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944945255 704798234 /nfs/dbraw/zinc/79/82/34/704798234.db2.gz QOOFOALSUBVGAP-KBPBESRZSA-N 2 2 335.452 1.054 20 0 EDADLP CCc1noc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944945255 704798235 /nfs/dbraw/zinc/79/82/35/704798235.db2.gz QOOFOALSUBVGAP-KBPBESRZSA-N 2 2 335.452 1.054 20 0 EDADLP Cc1oncc1C[NH2+]CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000997928337 705032523 /nfs/dbraw/zinc/03/25/23/705032523.db2.gz IRBWMMAXMJWKTB-UHFFFAOYSA-N 2 2 345.447 1.678 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998050672 705245613 /nfs/dbraw/zinc/24/56/13/705245613.db2.gz ICSMSUTXEOVQRB-IAGOWNOFSA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000998050672 705245615 /nfs/dbraw/zinc/24/56/15/705245615.db2.gz ICSMSUTXEOVQRB-IAGOWNOFSA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2nnc(C)[nH]2)CC1 ZINC000998187783 705492002 /nfs/dbraw/zinc/49/20/02/705492002.db2.gz HGEAEIBGHPHEOD-HZPDHXFCSA-N 2 2 348.495 1.268 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2nnc(C)[nH]2)CC1 ZINC000998187783 705492007 /nfs/dbraw/zinc/49/20/07/705492007.db2.gz HGEAEIBGHPHEOD-HZPDHXFCSA-N 2 2 348.495 1.268 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000998187783 705492009 /nfs/dbraw/zinc/49/20/09/705492009.db2.gz HGEAEIBGHPHEOD-HZPDHXFCSA-N 2 2 348.495 1.268 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2nnc(C)[nH]2)CC1 ZINC000998187783 705492014 /nfs/dbraw/zinc/49/20/14/705492014.db2.gz HGEAEIBGHPHEOD-HZPDHXFCSA-N 2 2 348.495 1.268 20 0 EDADLP CCc1noc(C[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)n1 ZINC000998269985 705647528 /nfs/dbraw/zinc/64/75/28/705647528.db2.gz TXTACHLTHQQHLP-UHFFFAOYSA-N 2 2 346.435 1.165 20 0 EDADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000998285923 705680691 /nfs/dbraw/zinc/68/06/91/705680691.db2.gz ZCVGYAJYOOUSIV-LJQANCHMSA-N 2 2 349.519 1.726 20 0 EDADLP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)[nH]1 ZINC000998296263 705698204 /nfs/dbraw/zinc/69/82/04/705698204.db2.gz BMBWMTBBBWJCOD-ZDUSSCGKSA-N 2 2 345.451 1.153 20 0 EDADLP CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1C(F)(F)F ZINC000998305616 705709603 /nfs/dbraw/zinc/70/96/03/705709603.db2.gz QSQVUVQGBAEKSQ-STQMWFEESA-N 2 2 332.370 1.742 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001032626997 705733386 /nfs/dbraw/zinc/73/33/86/705733386.db2.gz QALLUGRLXOVDNW-QEJZJMRPSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001032626997 705733389 /nfs/dbraw/zinc/73/33/89/705733389.db2.gz QALLUGRLXOVDNW-QEJZJMRPSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032626997 705733391 /nfs/dbraw/zinc/73/33/91/705733391.db2.gz QALLUGRLXOVDNW-QEJZJMRPSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001032626997 705733393 /nfs/dbraw/zinc/73/33/93/705733393.db2.gz QALLUGRLXOVDNW-QEJZJMRPSA-N 2 2 334.489 1.721 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001032628264 705741228 /nfs/dbraw/zinc/74/12/28/705741228.db2.gz VKWHKDJNEZQEMS-QEJZJMRPSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncsc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001032628264 705741230 /nfs/dbraw/zinc/74/12/30/705741230.db2.gz VKWHKDJNEZQEMS-QEJZJMRPSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncsc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032628264 705741233 /nfs/dbraw/zinc/74/12/33/705741233.db2.gz VKWHKDJNEZQEMS-QEJZJMRPSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032628264 705741236 /nfs/dbraw/zinc/74/12/36/705741236.db2.gz VKWHKDJNEZQEMS-QEJZJMRPSA-N 2 2 334.489 1.578 20 0 EDADLP Cc1nc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)cs1 ZINC001032628349 705744882 /nfs/dbraw/zinc/74/48/82/705744882.db2.gz WRQIRBQSNJWURZ-JQFCIGGWSA-N 2 2 348.516 1.621 20 0 EDADLP Cc1nc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)cs1 ZINC001032628349 705744884 /nfs/dbraw/zinc/74/48/84/705744884.db2.gz WRQIRBQSNJWURZ-JQFCIGGWSA-N 2 2 348.516 1.621 20 0 EDADLP Cc1nc(CC[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)cs1 ZINC001032628349 705744887 /nfs/dbraw/zinc/74/48/87/705744887.db2.gz WRQIRBQSNJWURZ-JQFCIGGWSA-N 2 2 348.516 1.621 20 0 EDADLP Cc1nc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)cs1 ZINC001032628349 705744889 /nfs/dbraw/zinc/74/48/89/705744889.db2.gz WRQIRBQSNJWURZ-JQFCIGGWSA-N 2 2 348.516 1.621 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000998988392 706420659 /nfs/dbraw/zinc/42/06/59/706420659.db2.gz ISVCALCHPLCJDS-LRVUVFPRSA-N 2 2 328.416 1.792 20 0 EDADLP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999006365 706446526 /nfs/dbraw/zinc/44/65/26/706446526.db2.gz BIYHUEHMPOOAPN-BZOOQXSSSA-N 2 2 343.431 1.521 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cnsn3)C[C@H]2CC1 ZINC000946517532 706550708 /nfs/dbraw/zinc/55/07/08/706550708.db2.gz ILKIGQNXRJYWIV-LZWOXQAQSA-N 2 2 349.504 1.303 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cnsn3)C[C@H]2CC1 ZINC000946517532 706550709 /nfs/dbraw/zinc/55/07/09/706550709.db2.gz ILKIGQNXRJYWIV-LZWOXQAQSA-N 2 2 349.504 1.303 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cnsn3)C[C@H]2CC1 ZINC000946517532 706550712 /nfs/dbraw/zinc/55/07/12/706550712.db2.gz ILKIGQNXRJYWIV-LZWOXQAQSA-N 2 2 349.504 1.303 20 0 EDADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cnsn3)C[C@H]2CC1 ZINC000946517532 706550716 /nfs/dbraw/zinc/55/07/16/706550716.db2.gz ILKIGQNXRJYWIV-LZWOXQAQSA-N 2 2 349.504 1.303 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]([NH2+]C[C@H]4CCOC4)C3)ccn12 ZINC000999153377 706583034 /nfs/dbraw/zinc/58/30/34/706583034.db2.gz OUIGBTGODJNYED-NVXWUHKLSA-N 2 2 342.443 1.873 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999323626 706833454 /nfs/dbraw/zinc/83/34/54/706833454.db2.gz RILJSQSBLNQSPS-AWEZNQCLSA-N 2 2 326.391 1.968 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999323626 706833456 /nfs/dbraw/zinc/83/34/56/706833456.db2.gz RILJSQSBLNQSPS-AWEZNQCLSA-N 2 2 326.391 1.968 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)c1csnn1 ZINC000999380891 706874669 /nfs/dbraw/zinc/87/46/69/706874669.db2.gz XPDZEVGSBIRIRU-OLZOCXBDSA-N 2 2 337.493 1.664 20 0 EDADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1)c1csnn1 ZINC000999380891 706874672 /nfs/dbraw/zinc/87/46/72/706874672.db2.gz XPDZEVGSBIRIRU-OLZOCXBDSA-N 2 2 337.493 1.664 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)on1 ZINC000999366996 706881129 /nfs/dbraw/zinc/88/11/29/706881129.db2.gz DETYTHMBSQPRAP-GOEBONIOSA-N 2 2 343.431 1.838 20 0 EDADLP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)on1 ZINC000999385908 706898727 /nfs/dbraw/zinc/89/87/27/706898727.db2.gz PHOIFCBPZPLZMP-PIMMBPRGSA-N 2 2 343.431 1.905 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)[nH]1 ZINC000999506930 707004624 /nfs/dbraw/zinc/00/46/24/707004624.db2.gz CMXPNTSPDIRGJC-GJZGRUSLSA-N 2 2 348.495 1.493 20 0 EDADLP CC(C)c1nnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)[nH]1 ZINC000999506930 707004628 /nfs/dbraw/zinc/00/46/28/707004628.db2.gz CMXPNTSPDIRGJC-GJZGRUSLSA-N 2 2 348.495 1.493 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)o1 ZINC000999511958 707010331 /nfs/dbraw/zinc/01/03/31/707010331.db2.gz NTDXMDOSBNCBKU-ZBFHGGJFSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC000999511958 707010334 /nfs/dbraw/zinc/01/03/34/707010334.db2.gz NTDXMDOSBNCBKU-ZBFHGGJFSA-N 2 2 334.464 1.802 20 0 EDADLP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2nc(CC3CC3)no2)C1)[NH+](C)C ZINC000999489823 707025707 /nfs/dbraw/zinc/02/57/07/707025707.db2.gz NFNCTCBOPLDPNW-LSDHHAIUSA-N 2 2 349.479 1.443 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000999534917 707035643 /nfs/dbraw/zinc/03/56/43/707035643.db2.gz HRQUCWXISYRSST-KGLIPLIRSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)on1 ZINC000999551021 707050046 /nfs/dbraw/zinc/05/00/46/707050046.db2.gz XREWOFDMIOEHAE-HUUCEWRRSA-N 2 2 343.431 1.523 20 0 EDADLP COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC000999605637 707070356 /nfs/dbraw/zinc/07/03/56/707070356.db2.gz MATHYLIDMKTXDQ-UHFFFAOYSA-N 2 2 328.416 1.740 20 0 EDADLP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000999697060 707222272 /nfs/dbraw/zinc/22/22/72/707222272.db2.gz ITFLXDKPIIBZNZ-UHFFFAOYSA-N 2 2 342.447 1.565 20 0 EDADLP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999687663 707241845 /nfs/dbraw/zinc/24/18/45/707241845.db2.gz FOFDVBKSILWZRP-UHFFFAOYSA-N 2 2 327.432 1.445 20 0 EDADLP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)n1 ZINC000999688491 707243028 /nfs/dbraw/zinc/24/30/28/707243028.db2.gz NILGOKNVKFNPFN-UHFFFAOYSA-N 2 2 343.431 1.145 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC000999722202 707262187 /nfs/dbraw/zinc/26/21/87/707262187.db2.gz ANMUAJROUQGWJZ-GXTWGEPZSA-N 2 2 332.408 1.225 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC001033265368 707288121 /nfs/dbraw/zinc/28/81/21/707288121.db2.gz GRDLHRWKGVLCRH-INIZCTEOSA-N 2 2 343.431 1.328 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3c[nH+]cc3C)C2)cn1 ZINC001033265368 707288124 /nfs/dbraw/zinc/28/81/24/707288124.db2.gz GRDLHRWKGVLCRH-INIZCTEOSA-N 2 2 343.431 1.328 20 0 EDADLP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC000999755350 707357181 /nfs/dbraw/zinc/35/71/81/707357181.db2.gz VTIXXUIAROIDKS-UHFFFAOYSA-N 2 2 330.436 1.256 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999843508 707417736 /nfs/dbraw/zinc/41/77/36/707417736.db2.gz SXGQOQFTHKCYRR-AWEZNQCLSA-N 2 2 333.461 1.553 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)on1 ZINC001033198104 707459871 /nfs/dbraw/zinc/45/98/71/707459871.db2.gz KJZGLASLUNPZAF-ZFWWWQNUSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)on1 ZINC001033198104 707459874 /nfs/dbraw/zinc/45/98/74/707459874.db2.gz KJZGLASLUNPZAF-ZFWWWQNUSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)on1 ZINC001033198104 707459878 /nfs/dbraw/zinc/45/98/78/707459878.db2.gz KJZGLASLUNPZAF-ZFWWWQNUSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)on1 ZINC001033198104 707459881 /nfs/dbraw/zinc/45/98/81/707459881.db2.gz KJZGLASLUNPZAF-ZFWWWQNUSA-N 2 2 336.436 1.200 20 0 EDADLP COc1cc(C[NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)ccn1 ZINC000999837140 707473572 /nfs/dbraw/zinc/47/35/72/707473572.db2.gz PYAJIRBGUZKHTK-INIZCTEOSA-N 2 2 343.431 1.458 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC001033319031 707514686 /nfs/dbraw/zinc/51/46/86/707514686.db2.gz OABFLSWYHAGHCF-OAHLLOKOSA-N 2 2 334.464 1.890 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC001033319031 707514691 /nfs/dbraw/zinc/51/46/91/707514691.db2.gz OABFLSWYHAGHCF-OAHLLOKOSA-N 2 2 334.464 1.890 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999915974 707557936 /nfs/dbraw/zinc/55/79/36/707557936.db2.gz MOWVYEKCZXBFFI-JCYILVPMSA-N 2 2 334.464 1.403 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999915981 707558255 /nfs/dbraw/zinc/55/82/55/707558255.db2.gz MOWVYEKCZXBFFI-OFLPRAFFSA-N 2 2 334.464 1.403 20 0 EDADLP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001004923852 707661966 /nfs/dbraw/zinc/66/19/66/707661966.db2.gz ZSHXVHUJUDUWCF-WBVHZDCISA-N 2 2 344.463 1.566 20 0 EDADLP C[C@@H]([NH2+]Cc1cscn1)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004943012 707689817 /nfs/dbraw/zinc/68/98/17/707689817.db2.gz CMNKJHCVBHKJAI-IUODEOHRSA-N 2 2 333.461 1.968 20 0 EDADLP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001004966203 707761101 /nfs/dbraw/zinc/76/11/01/707761101.db2.gz OLSKNLVNHNVWPU-BBRMVZONSA-N 2 2 342.447 1.610 20 0 EDADLP C[C@H]([NH2+]Cc1cnns1)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004975304 707808087 /nfs/dbraw/zinc/80/80/87/707808087.db2.gz CMDXCIZXYHITSD-SWLSCSKDSA-N 2 2 348.476 1.374 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C)o1 ZINC001033421054 707833068 /nfs/dbraw/zinc/83/30/68/707833068.db2.gz UTAHOFYSHDRAPC-CZUORRHYSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(C)o1 ZINC001033421054 707833072 /nfs/dbraw/zinc/83/30/72/707833072.db2.gz UTAHOFYSHDRAPC-CZUORRHYSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)c(C)o1 ZINC001033421054 707833077 /nfs/dbraw/zinc/83/30/77/707833077.db2.gz UTAHOFYSHDRAPC-CZUORRHYSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)c(C)o1 ZINC001033421054 707833082 /nfs/dbraw/zinc/83/30/82/707833082.db2.gz UTAHOFYSHDRAPC-CZUORRHYSA-N 2 2 334.464 1.666 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033422910 707837983 /nfs/dbraw/zinc/83/79/83/707837983.db2.gz KJKPRFKRSMYEBL-JSGCOSHPSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001033422910 707837987 /nfs/dbraw/zinc/83/79/87/707837987.db2.gz KJKPRFKRSMYEBL-JSGCOSHPSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033422910 707837993 /nfs/dbraw/zinc/83/79/93/707837993.db2.gz KJKPRFKRSMYEBL-JSGCOSHPSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1nnsc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001033422910 707837999 /nfs/dbraw/zinc/83/79/99/707837999.db2.gz KJKPRFKRSMYEBL-JSGCOSHPSA-N 2 2 337.493 1.364 20 0 EDADLP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033229430 707883426 /nfs/dbraw/zinc/88/34/26/707883426.db2.gz AYSRGQWNQHNALO-OAHLLOKOSA-N 2 2 339.399 1.977 20 0 EDADLP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033229430 707883429 /nfs/dbraw/zinc/88/34/29/707883429.db2.gz AYSRGQWNQHNALO-OAHLLOKOSA-N 2 2 339.399 1.977 20 0 EDADLP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001033230128 707889474 /nfs/dbraw/zinc/88/94/74/707889474.db2.gz JJEJTHVYVARXEW-HNNXBMFYSA-N 2 2 338.415 1.414 20 0 EDADLP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001033230128 707889480 /nfs/dbraw/zinc/88/94/80/707889480.db2.gz JJEJTHVYVARXEW-HNNXBMFYSA-N 2 2 338.415 1.414 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033452311 707894770 /nfs/dbraw/zinc/89/47/70/707894770.db2.gz JFNJHQLCPWMRTI-IAGOWNOFSA-N 2 2 328.416 1.219 20 0 EDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033452311 707894773 /nfs/dbraw/zinc/89/47/73/707894773.db2.gz JFNJHQLCPWMRTI-IAGOWNOFSA-N 2 2 328.416 1.219 20 0 EDADLP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001000845243 708072644 /nfs/dbraw/zinc/07/26/44/708072644.db2.gz SHTNKNVEARAJKK-ZDUSSCGKSA-N 2 2 328.416 1.960 20 0 EDADLP CO[C@@H](C)C[N@@H+]1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001000845243 708072645 /nfs/dbraw/zinc/07/26/45/708072645.db2.gz SHTNKNVEARAJKK-ZDUSSCGKSA-N 2 2 328.416 1.960 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC001032814529 708146822 /nfs/dbraw/zinc/14/68/22/708146822.db2.gz AKTWVBDCTCVDLI-OALUTQOASA-N 2 2 336.439 1.857 20 0 EDADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2c(c1)CCC2 ZINC001032814529 708146825 /nfs/dbraw/zinc/14/68/25/708146825.db2.gz AKTWVBDCTCVDLI-OALUTQOASA-N 2 2 336.439 1.857 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061014317 708175422 /nfs/dbraw/zinc/17/54/22/708175422.db2.gz LDWHTXXXTZJDCS-HZPDHXFCSA-N 2 2 331.464 1.920 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC001061014317 708175424 /nfs/dbraw/zinc/17/54/24/708175424.db2.gz LDWHTXXXTZJDCS-HZPDHXFCSA-N 2 2 331.464 1.920 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033579929 708259905 /nfs/dbraw/zinc/25/99/05/708259905.db2.gz BIIHKONZUOITEM-GJZGRUSLSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033579929 708259907 /nfs/dbraw/zinc/25/99/07/708259907.db2.gz BIIHKONZUOITEM-GJZGRUSLSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001033579929 708259912 /nfs/dbraw/zinc/25/99/12/708259912.db2.gz BIIHKONZUOITEM-GJZGRUSLSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033579929 708259915 /nfs/dbraw/zinc/25/99/15/708259915.db2.gz BIIHKONZUOITEM-GJZGRUSLSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033579931 708259981 /nfs/dbraw/zinc/25/99/81/708259981.db2.gz BIIHKONZUOITEM-LSDHHAIUSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033579931 708259985 /nfs/dbraw/zinc/25/99/85/708259985.db2.gz BIIHKONZUOITEM-LSDHHAIUSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001033579931 708259988 /nfs/dbraw/zinc/25/99/88/708259988.db2.gz BIIHKONZUOITEM-LSDHHAIUSA-N 2 2 334.464 1.612 20 0 EDADLP CCc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001033579931 708259991 /nfs/dbraw/zinc/25/99/91/708259991.db2.gz BIIHKONZUOITEM-LSDHHAIUSA-N 2 2 334.464 1.612 20 0 EDADLP Cc1ncccc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001044880070 708260453 /nfs/dbraw/zinc/26/04/53/708260453.db2.gz YCHGLMYIUPKBDO-PBHICJAKSA-N 2 2 327.432 1.756 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033587888 708279952 /nfs/dbraw/zinc/27/99/52/708279952.db2.gz IPYJSBIZRCBQMP-QGZVFWFLSA-N 2 2 326.444 1.738 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033587888 708279955 /nfs/dbraw/zinc/27/99/55/708279955.db2.gz IPYJSBIZRCBQMP-QGZVFWFLSA-N 2 2 326.444 1.738 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)ccn1 ZINC001033665557 708448714 /nfs/dbraw/zinc/44/87/14/708448714.db2.gz OSPLMGAFMFKIIX-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP COc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)Cn3cc[nH+]c3C)C2)ccn1 ZINC001033665557 708448717 /nfs/dbraw/zinc/44/87/17/708448717.db2.gz OSPLMGAFMFKIIX-MRXNPFEDSA-N 2 2 343.431 1.328 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2nccnc2C)C1 ZINC001033667061 708453478 /nfs/dbraw/zinc/45/34/78/708453478.db2.gz DKGICUGFLXDWQE-HNNXBMFYSA-N 2 2 328.420 1.023 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001033667061 708453481 /nfs/dbraw/zinc/45/34/81/708453481.db2.gz DKGICUGFLXDWQE-HNNXBMFYSA-N 2 2 328.420 1.023 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033788420 708698622 /nfs/dbraw/zinc/69/86/22/708698622.db2.gz HIOGCRXCLMCSLZ-IRXDYDNUSA-N 2 2 337.508 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033788420 708698625 /nfs/dbraw/zinc/69/86/25/708698625.db2.gz HIOGCRXCLMCSLZ-IRXDYDNUSA-N 2 2 337.508 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033788420 708698626 /nfs/dbraw/zinc/69/86/26/708698626.db2.gz HIOGCRXCLMCSLZ-IRXDYDNUSA-N 2 2 337.508 1.676 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001033788420 708698629 /nfs/dbraw/zinc/69/86/29/708698629.db2.gz HIOGCRXCLMCSLZ-IRXDYDNUSA-N 2 2 337.508 1.676 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001033830998 708853445 /nfs/dbraw/zinc/85/34/45/708853445.db2.gz RKWMQVCMMLTBPZ-IRXDYDNUSA-N 2 2 345.491 1.185 20 0 EDADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001033830998 708853447 /nfs/dbraw/zinc/85/34/47/708853447.db2.gz RKWMQVCMMLTBPZ-IRXDYDNUSA-N 2 2 345.491 1.185 20 0 EDADLP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC001005398621 708882655 /nfs/dbraw/zinc/88/26/55/708882655.db2.gz PIAJPUXSNWJEHO-GOSISDBHSA-N 2 2 346.475 1.748 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC001002445929 708967258 /nfs/dbraw/zinc/96/72/58/708967258.db2.gz YYSFLBSBGXZBBV-HNNXBMFYSA-N 2 2 336.867 1.910 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC001002445929 708967260 /nfs/dbraw/zinc/96/72/60/708967260.db2.gz YYSFLBSBGXZBBV-HNNXBMFYSA-N 2 2 336.867 1.910 20 0 EDADLP COCC[NH+]1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001005427201 708979800 /nfs/dbraw/zinc/97/98/00/708979800.db2.gz VLZMKUFJOYDPLE-UHFFFAOYSA-N 2 2 334.464 1.331 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C/C=C/Cl)C1)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032826979 709244786 /nfs/dbraw/zinc/24/47/86/709244786.db2.gz BJVVXBGBGLEGKX-MWMBUFLZSA-N 2 2 341.883 1.573 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C/C=C/Cl)C1)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032826979 709244787 /nfs/dbraw/zinc/24/47/87/709244787.db2.gz BJVVXBGBGLEGKX-MWMBUFLZSA-N 2 2 341.883 1.573 20 0 EDADLP O=C(N[C@H]1CC[NH+](C/C=C/Cl)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032826979 709244788 /nfs/dbraw/zinc/24/47/88/709244788.db2.gz BJVVXBGBGLEGKX-MWMBUFLZSA-N 2 2 341.883 1.573 20 0 EDADLP O=C(N[C@H]1CC[NH+](C/C=C/Cl)C1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001032826979 709244790 /nfs/dbraw/zinc/24/47/90/709244790.db2.gz BJVVXBGBGLEGKX-MWMBUFLZSA-N 2 2 341.883 1.573 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001034037650 709269501 /nfs/dbraw/zinc/26/95/01/709269501.db2.gz DCKJFIZACHMRGS-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001034037650 709269504 /nfs/dbraw/zinc/26/95/04/709269504.db2.gz DCKJFIZACHMRGS-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001034037650 709269511 /nfs/dbraw/zinc/26/95/11/709269511.db2.gz DCKJFIZACHMRGS-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001034037650 709269515 /nfs/dbraw/zinc/26/95/15/709269515.db2.gz DCKJFIZACHMRGS-HZPDHXFCSA-N 2 2 334.464 1.666 20 0 EDADLP CCn1nnc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034139891 709390340 /nfs/dbraw/zinc/39/03/40/709390340.db2.gz WITQEEGQEQGTPV-CVEARBPZSA-N 2 2 348.495 1.171 20 0 EDADLP CCn1nnc(C)c1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034139891 709390343 /nfs/dbraw/zinc/39/03/43/709390343.db2.gz WITQEEGQEQGTPV-CVEARBPZSA-N 2 2 348.495 1.171 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034139891 709390344 /nfs/dbraw/zinc/39/03/44/709390344.db2.gz WITQEEGQEQGTPV-CVEARBPZSA-N 2 2 348.495 1.171 20 0 EDADLP CCn1nnc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034139891 709390347 /nfs/dbraw/zinc/39/03/47/709390347.db2.gz WITQEEGQEQGTPV-CVEARBPZSA-N 2 2 348.495 1.171 20 0 EDADLP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034132647 709402568 /nfs/dbraw/zinc/40/25/68/709402568.db2.gz SWOOLSDMPFEANM-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034132647 709402570 /nfs/dbraw/zinc/40/25/70/709402570.db2.gz SWOOLSDMPFEANM-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034132647 709402572 /nfs/dbraw/zinc/40/25/72/709402572.db2.gz SWOOLSDMPFEANM-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP Cc1nccnc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034132647 709402577 /nfs/dbraw/zinc/40/25/77/709402577.db2.gz SWOOLSDMPFEANM-WBVHZDCISA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001034132349 709402655 /nfs/dbraw/zinc/40/26/55/709402655.db2.gz RPWVZSYCJPAARP-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034132349 709402656 /nfs/dbraw/zinc/40/26/56/709402656.db2.gz RPWVZSYCJPAARP-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[N@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001034132349 709402657 /nfs/dbraw/zinc/40/26/57/709402657.db2.gz RPWVZSYCJPAARP-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP Cc1cnc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001034132349 709402658 /nfs/dbraw/zinc/40/26/58/709402658.db2.gz RPWVZSYCJPAARP-DOTOQJQBSA-N 2 2 331.464 1.350 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001002809608 709411515 /nfs/dbraw/zinc/41/15/15/709411515.db2.gz IPUGQEMEDSRLJH-HIFRSBDPSA-N 2 2 349.504 1.493 20 0 EDADLP O=C(NC1CC[NH+](Cc2cnns2)CC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001002809608 709411517 /nfs/dbraw/zinc/41/15/17/709411517.db2.gz IPUGQEMEDSRLJH-HIFRSBDPSA-N 2 2 349.504 1.493 20 0 EDADLP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001002815069 709430344 /nfs/dbraw/zinc/43/03/44/709430344.db2.gz KJXUIPICLQDDKL-HNNXBMFYSA-N 2 2 343.431 1.101 20 0 EDADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208263 709557070 /nfs/dbraw/zinc/55/70/70/709557070.db2.gz XBEWPPGPMHUEHF-MRXNPFEDSA-N 2 2 330.432 1.873 20 0 EDADLP COCC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001034208263 709557072 /nfs/dbraw/zinc/55/70/72/709557072.db2.gz XBEWPPGPMHUEHF-MRXNPFEDSA-N 2 2 330.432 1.873 20 0 EDADLP CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260149 709646974 /nfs/dbraw/zinc/64/69/74/709646974.db2.gz FMKXPORIKYYKKG-GJZGRUSLSA-N 2 2 349.479 1.161 20 0 EDADLP CC[C@@H](C(N)=O)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001034260149 709646975 /nfs/dbraw/zinc/64/69/75/709646975.db2.gz FMKXPORIKYYKKG-GJZGRUSLSA-N 2 2 349.479 1.161 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001002956062 709658853 /nfs/dbraw/zinc/65/88/53/709658853.db2.gz PENWMOVBVOGOTJ-QGZVFWFLSA-N 2 2 345.491 1.740 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccc(C)n2)CC1 ZINC001002956062 709658856 /nfs/dbraw/zinc/65/88/56/709658856.db2.gz PENWMOVBVOGOTJ-QGZVFWFLSA-N 2 2 345.491 1.740 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3cscn3)C2)CC1 ZINC001034378739 709900542 /nfs/dbraw/zinc/90/05/42/709900542.db2.gz XKODDTZOUDGESL-HNNXBMFYSA-N 2 2 336.505 1.956 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](Cc3cscn3)C2)CC1 ZINC001034378739 709900544 /nfs/dbraw/zinc/90/05/44/709900544.db2.gz XKODDTZOUDGESL-HNNXBMFYSA-N 2 2 336.505 1.956 20 0 EDADLP O=C(NC1CC[NH+](CC[C@@H]2CCCO2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001003191325 710087073 /nfs/dbraw/zinc/08/70/73/710087073.db2.gz XTVNZCYEXVZUEK-WBVHZDCISA-N 2 2 346.475 1.595 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470940 710103316 /nfs/dbraw/zinc/10/33/16/710103316.db2.gz YOLFVFWWVJXZST-NVXWUHKLSA-N 2 2 342.443 1.837 20 0 EDADLP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001034470940 710103318 /nfs/dbraw/zinc/10/33/18/710103318.db2.gz YOLFVFWWVJXZST-NVXWUHKLSA-N 2 2 342.443 1.837 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034491415 710111568 /nfs/dbraw/zinc/11/15/68/710111568.db2.gz USGSCLBKXCSISQ-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001034491415 710111570 /nfs/dbraw/zinc/11/15/70/710111570.db2.gz USGSCLBKXCSISQ-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034491415 710111573 /nfs/dbraw/zinc/11/15/73/710111573.db2.gz USGSCLBKXCSISQ-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1conc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034491415 710111576 /nfs/dbraw/zinc/11/15/76/710111576.db2.gz USGSCLBKXCSISQ-HOTGVXAUSA-N 2 2 334.464 1.796 20 0 EDADLP O=C(NC1CC[NH+](Cc2cncs2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001003195538 710130913 /nfs/dbraw/zinc/13/09/13/710130913.db2.gz ZABLEJOYDOCIGL-CYBMUJFWSA-N 2 2 345.472 1.683 20 0 EDADLP Cc1ccncc1C[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034487045 710134595 /nfs/dbraw/zinc/13/45/95/710134595.db2.gz DLAFIAPGYISLPW-KRWDZBQOSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1ccncc1C[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034487045 710134597 /nfs/dbraw/zinc/13/45/97/710134597.db2.gz DLAFIAPGYISLPW-KRWDZBQOSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1C ZINC001034528906 710182999 /nfs/dbraw/zinc/18/29/99/710182999.db2.gz UMJIGMTZPQXQQX-INIZCTEOSA-N 2 2 333.480 1.295 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1C ZINC001034528906 710183001 /nfs/dbraw/zinc/18/30/01/710183001.db2.gz UMJIGMTZPQXQQX-INIZCTEOSA-N 2 2 333.480 1.295 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001034546195 710219784 /nfs/dbraw/zinc/21/97/84/710219784.db2.gz AJWNJJSYRFOPQR-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001034546195 710219785 /nfs/dbraw/zinc/21/97/85/710219785.db2.gz AJWNJJSYRFOPQR-CQSZACIVSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1ncc(C[N@@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001034546194 710219894 /nfs/dbraw/zinc/21/98/94/710219894.db2.gz AJWNJJSYRFOPQR-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP Cc1ncc(C[N@H+]2CCCC[C@H](NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001034546194 710219895 /nfs/dbraw/zinc/21/98/95/710219895.db2.gz AJWNJJSYRFOPQR-AWEZNQCLSA-N 2 2 333.461 1.819 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC001034546831 710220723 /nfs/dbraw/zinc/22/07/23/710220723.db2.gz KKYOCKIXHHAUGB-KBPBESRZSA-N 2 2 342.390 1.278 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001034546831 710220724 /nfs/dbraw/zinc/22/07/24/710220724.db2.gz KKYOCKIXHHAUGB-KBPBESRZSA-N 2 2 342.390 1.278 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)no1 ZINC001003375053 710293063 /nfs/dbraw/zinc/29/30/63/710293063.db2.gz HIBKHVNWFODZLB-GOSISDBHSA-N 2 2 346.475 1.938 20 0 EDADLP CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000922163069 710303042 /nfs/dbraw/zinc/30/30/42/710303042.db2.gz KFMKUDIWNAKJLE-INIZCTEOSA-N 2 2 336.505 1.874 20 0 EDADLP CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000922163069 710303045 /nfs/dbraw/zinc/30/30/45/710303045.db2.gz KFMKUDIWNAKJLE-INIZCTEOSA-N 2 2 336.505 1.874 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)c3cc[nH+]c(C)n3)C2)CC[N@@H+]1C ZINC001061281122 710421411 /nfs/dbraw/zinc/42/14/11/710421411.db2.gz OLZFDCGLEBMMOR-IXDOHACOSA-N 2 2 345.491 1.943 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)c3cc[nH+]c(C)n3)C2)CC[N@H+]1C ZINC001061281122 710421413 /nfs/dbraw/zinc/42/14/13/710421413.db2.gz OLZFDCGLEBMMOR-IXDOHACOSA-N 2 2 345.491 1.943 20 0 EDADLP C[C@H](c1nncn1C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003631812 710460601 /nfs/dbraw/zinc/46/06/01/710460601.db2.gz VMSPYJRNCVCMHL-CQSZACIVSA-N 2 2 348.495 1.189 20 0 EDADLP C[C@H](c1nncn1C)[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003631812 710460602 /nfs/dbraw/zinc/46/06/02/710460602.db2.gz VMSPYJRNCVCMHL-CQSZACIVSA-N 2 2 348.495 1.189 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)no1 ZINC001003741799 710524394 /nfs/dbraw/zinc/52/43/94/710524394.db2.gz UEWXUMQLAWVMDT-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP C[NH+]1CCC(CC(=O)NC2CC[NH+](Cc3ncccn3)CC2)CC1 ZINC001003746018 710528373 /nfs/dbraw/zinc/52/83/73/710528373.db2.gz YODDPCWMGOFYFN-UHFFFAOYSA-N 2 2 331.464 1.289 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)nc(C2CC2)[nH+]1 ZINC001061328593 710604549 /nfs/dbraw/zinc/60/45/49/710604549.db2.gz USMTYPQHXXDCDN-CVEARBPZSA-N 2 2 343.475 1.842 20 0 EDADLP Cc1cc(N2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C)nc(C2CC2)[nH+]1 ZINC001061328593 710604552 /nfs/dbraw/zinc/60/45/52/710604552.db2.gz USMTYPQHXXDCDN-CVEARBPZSA-N 2 2 343.475 1.842 20 0 EDADLP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1)c1cnccn1 ZINC001034764139 711038212 /nfs/dbraw/zinc/03/82/12/711038212.db2.gz OSRWUMJEHGQEHD-IHRRRGAJSA-N 2 2 328.420 1.520 20 0 EDADLP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001034778231 711079717 /nfs/dbraw/zinc/07/97/17/711079717.db2.gz PKMQOXDJYORREE-SHTZXODSSA-N 2 2 342.447 1.278 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1F ZINC001032980238 711104927 /nfs/dbraw/zinc/10/49/27/711104927.db2.gz LSPUGAKECCXTNW-WMZOPIPTSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+](C)CCO3)C2)cc1F ZINC001032980238 711104933 /nfs/dbraw/zinc/10/49/33/711104933.db2.gz LSPUGAKECCXTNW-WMZOPIPTSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)cc1F ZINC001032980238 711104937 /nfs/dbraw/zinc/10/49/37/711104937.db2.gz LSPUGAKECCXTNW-WMZOPIPTSA-N 2 2 349.450 1.497 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)cc1F ZINC001032980238 711104943 /nfs/dbraw/zinc/10/49/43/711104943.db2.gz LSPUGAKECCXTNW-WMZOPIPTSA-N 2 2 349.450 1.497 20 0 EDADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccon3)CC2)C1 ZINC001003966897 711137071 /nfs/dbraw/zinc/13/70/71/711137071.db2.gz FTPDLEDNYAJASF-RHSMWYFYSA-N 2 2 334.464 1.876 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003967791 711139255 /nfs/dbraw/zinc/13/92/55/711139255.db2.gz NZYKSXCYMBVZKB-HNNXBMFYSA-N 2 2 331.464 1.207 20 0 EDADLP Cc1ccnc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003967791 711139256 /nfs/dbraw/zinc/13/92/56/711139256.db2.gz NZYKSXCYMBVZKB-HNNXBMFYSA-N 2 2 331.464 1.207 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001034801659 711142226 /nfs/dbraw/zinc/14/22/26/711142226.db2.gz NMUNDYFWPJXXQV-SHTZXODSSA-N 2 2 330.436 1.317 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034823986 711226218 /nfs/dbraw/zinc/22/62/18/711226218.db2.gz JTRIHHQDIZBNLB-GUYCJALGSA-N 2 2 343.431 1.173 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnon2)cc1 ZINC001034823986 711226221 /nfs/dbraw/zinc/22/62/21/711226221.db2.gz JTRIHHQDIZBNLB-GUYCJALGSA-N 2 2 343.431 1.173 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]Cc3nncs3)cc2)C1 ZINC001034831313 711237547 /nfs/dbraw/zinc/23/75/47/711237547.db2.gz PFYJDVHQPHGVHN-HNNXBMFYSA-N 2 2 345.472 1.396 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]Cc3nncs3)cc2)C1 ZINC001034831313 711237549 /nfs/dbraw/zinc/23/75/49/711237549.db2.gz PFYJDVHQPHGVHN-HNNXBMFYSA-N 2 2 345.472 1.396 20 0 EDADLP CCOC1CC(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001034921054 711379857 /nfs/dbraw/zinc/37/98/57/711379857.db2.gz UKAZUXWSGWXJIH-HWOWSKLDSA-N 2 2 334.464 1.738 20 0 EDADLP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001034924934 711389340 /nfs/dbraw/zinc/38/93/40/711389340.db2.gz XCMVUHFDMIBTEU-OAHLLOKOSA-N 2 2 343.431 1.527 20 0 EDADLP CN(C)c1cc[nH+]c(CNC(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000922396404 711470725 /nfs/dbraw/zinc/47/07/25/711470725.db2.gz ASNZULXEFZNXPI-UHFFFAOYSA-N 2 2 328.420 1.680 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004146733 711557388 /nfs/dbraw/zinc/55/73/88/711557388.db2.gz ACBCTCJANDUQHM-TZMCWYRMSA-N 2 2 347.463 1.540 20 0 EDADLP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004146733 711557390 /nfs/dbraw/zinc/55/73/90/711557390.db2.gz ACBCTCJANDUQHM-TZMCWYRMSA-N 2 2 347.463 1.540 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001033146155 712010328 /nfs/dbraw/zinc/01/03/28/712010328.db2.gz OBAJWACMRBWYEP-IAGOWNOFSA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001033146155 712010329 /nfs/dbraw/zinc/01/03/29/712010329.db2.gz OBAJWACMRBWYEP-IAGOWNOFSA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001033146155 712010331 /nfs/dbraw/zinc/01/03/31/712010331.db2.gz OBAJWACMRBWYEP-IAGOWNOFSA-N 2 2 334.464 1.970 20 0 EDADLP CC(C)[NH+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001033146155 712010332 /nfs/dbraw/zinc/01/03/32/712010332.db2.gz OBAJWACMRBWYEP-IAGOWNOFSA-N 2 2 334.464 1.970 20 0 EDADLP Cc1ccc(O)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000051463991 214094753 /nfs/dbraw/zinc/09/47/53/214094753.db2.gz XFUPHCKHQMDHCP-UHFFFAOYSA-N 2 2 331.460 1.989 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000051763442 214103999 /nfs/dbraw/zinc/10/39/99/214103999.db2.gz LXNQSNAHALDZOD-UHFFFAOYSA-N 2 2 333.476 1.342 20 0 EDADLP CCC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000052927594 214154408 /nfs/dbraw/zinc/15/44/08/214154408.db2.gz XDXVZZFELSMHHR-UHFFFAOYSA-N 2 2 333.476 1.344 20 0 EDADLP CCC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000052927594 214154412 /nfs/dbraw/zinc/15/44/12/214154412.db2.gz XDXVZZFELSMHHR-UHFFFAOYSA-N 2 2 333.476 1.344 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000557772207 306234093 /nfs/dbraw/zinc/23/40/93/306234093.db2.gz ROVUMTBQVZIKGJ-OAHLLOKOSA-N 2 2 347.463 1.226 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000055247183 214295145 /nfs/dbraw/zinc/29/51/45/214295145.db2.gz KEDJPLWUKJUTKN-UHFFFAOYSA-N 2 2 333.480 1.185 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173675210 231001876 /nfs/dbraw/zinc/00/18/76/231001876.db2.gz AMQQCYKGNVZNMV-QGZVFWFLSA-N 2 2 341.459 1.838 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174896236 231337637 /nfs/dbraw/zinc/33/76/37/231337637.db2.gz ZAWDNPNXZKTPKL-AEFFLSMTSA-N 2 2 336.524 1.536 20 0 EDADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174896236 231337641 /nfs/dbraw/zinc/33/76/41/231337641.db2.gz ZAWDNPNXZKTPKL-AEFFLSMTSA-N 2 2 336.524 1.536 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000359085682 282255914 /nfs/dbraw/zinc/25/59/14/282255914.db2.gz DMBHFVZISHSEGX-FGTMMUONSA-N 2 2 337.508 1.866 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000359085682 282255918 /nfs/dbraw/zinc/25/59/18/282255918.db2.gz DMBHFVZISHSEGX-FGTMMUONSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCS(=O)(=O)C3)[nH+]c2)C1 ZINC000272313094 282264857 /nfs/dbraw/zinc/26/48/57/282264857.db2.gz UHDVGJVUXKUZTA-ZFWWWQNUSA-N 2 2 338.477 1.211 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1(CO)CC1 ZINC000186765529 529837856 /nfs/dbraw/zinc/83/78/56/529837856.db2.gz AFHQHNPOPCUCJK-UHFFFAOYSA-N 2 2 347.459 1.162 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1(CO)CC1 ZINC000186765529 529837857 /nfs/dbraw/zinc/83/78/57/529837857.db2.gz AFHQHNPOPCUCJK-UHFFFAOYSA-N 2 2 347.459 1.162 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000153763255 539356674 /nfs/dbraw/zinc/35/66/74/539356674.db2.gz HFSXGYPJJKKTET-OIISXLGYSA-N 2 2 331.464 1.960 20 0 EDADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000153763255 539356678 /nfs/dbraw/zinc/35/66/78/539356678.db2.gz HFSXGYPJJKKTET-OIISXLGYSA-N 2 2 331.464 1.960 20 0 EDADLP CN(C)c1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162244706 282300592 /nfs/dbraw/zinc/30/05/92/282300592.db2.gz ZTFGTIWLMFBVEY-GOSISDBHSA-N 2 2 330.476 1.491 20 0 EDADLP CN(C)c1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162244706 282300596 /nfs/dbraw/zinc/30/05/96/282300596.db2.gz ZTFGTIWLMFBVEY-GOSISDBHSA-N 2 2 330.476 1.491 20 0 EDADLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC[C@@H]21 ZINC000154745465 530064119 /nfs/dbraw/zinc/06/41/19/530064119.db2.gz LXRWAPXBMYOOIR-HOTGVXAUSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC[C@@H]21 ZINC000154745465 530064120 /nfs/dbraw/zinc/06/41/20/530064120.db2.gz LXRWAPXBMYOOIR-HOTGVXAUSA-N 2 2 325.416 1.824 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[N@H+](C)C1 ZINC000329124076 539412145 /nfs/dbraw/zinc/41/21/45/539412145.db2.gz LSIRLXCYGZKAPB-IRXDYDNUSA-N 2 2 346.475 1.645 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)[N@@H+](C)C1 ZINC000329124076 539412150 /nfs/dbraw/zinc/41/21/50/539412150.db2.gz LSIRLXCYGZKAPB-IRXDYDNUSA-N 2 2 346.475 1.645 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cccc(O)c3)CC2)CC1 ZINC000101665450 219153889 /nfs/dbraw/zinc/15/38/89/219153889.db2.gz MPEMUKMJOHTTPW-UHFFFAOYSA-N 2 2 331.460 1.610 20 0 EDADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(Br)c1 ZINC000562746667 306307609 /nfs/dbraw/zinc/30/76/09/306307609.db2.gz MIFSNDWCCDDOOM-LLVKDONJSA-N 2 2 341.253 1.864 20 0 EDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000359134323 539990238 /nfs/dbraw/zinc/99/02/38/539990238.db2.gz OTQCIIZNTPOXAC-GFCCVEGCSA-N 2 2 331.420 1.428 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000163267837 540052493 /nfs/dbraw/zinc/05/24/93/540052493.db2.gz SFGYJGGFGCJCAJ-PBHICJAKSA-N 2 2 330.436 1.424 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000163267837 540052497 /nfs/dbraw/zinc/05/24/97/540052497.db2.gz SFGYJGGFGCJCAJ-PBHICJAKSA-N 2 2 330.436 1.424 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000494563059 540051777 /nfs/dbraw/zinc/05/17/77/540051777.db2.gz HLQZIMJLKAFUJH-XYVMCAHJSA-N 2 2 336.480 1.126 20 0 EDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000494563059 540051781 /nfs/dbraw/zinc/05/17/81/540051781.db2.gz HLQZIMJLKAFUJH-XYVMCAHJSA-N 2 2 336.480 1.126 20 0 EDADLP COc1cc(CNC(=O)CCc2c[nH+]c[nH]2)ccc1OCC[NH+](C)C ZINC000279764453 540069120 /nfs/dbraw/zinc/06/91/20/540069120.db2.gz JNNIWESEPBBXSG-UHFFFAOYSA-N 2 2 346.431 1.608 20 0 EDADLP COc1cc(CNC(=O)CCc2c[nH]c[nH+]2)ccc1OCC[NH+](C)C ZINC000279764453 540069124 /nfs/dbraw/zinc/06/91/24/540069124.db2.gz JNNIWESEPBBXSG-UHFFFAOYSA-N 2 2 346.431 1.608 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000563268269 306325488 /nfs/dbraw/zinc/32/54/88/306325488.db2.gz HPLMBKPEDSPLSZ-QGZVFWFLSA-N 2 2 339.867 1.458 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000563268269 306325489 /nfs/dbraw/zinc/32/54/89/306325489.db2.gz HPLMBKPEDSPLSZ-QGZVFWFLSA-N 2 2 339.867 1.458 20 0 EDADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000189097334 540162949 /nfs/dbraw/zinc/16/29/49/540162949.db2.gz BOEUWURRTSZTTQ-MRXNPFEDSA-N 2 2 341.459 1.669 20 0 EDADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000189097334 540162952 /nfs/dbraw/zinc/16/29/52/540162952.db2.gz BOEUWURRTSZTTQ-MRXNPFEDSA-N 2 2 341.459 1.669 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000189319829 540164261 /nfs/dbraw/zinc/16/42/61/540164261.db2.gz RMGWXEDQJPYXCY-SJLPKXTDSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000189319829 540164266 /nfs/dbraw/zinc/16/42/66/540164266.db2.gz RMGWXEDQJPYXCY-SJLPKXTDSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000189319829 540164269 /nfs/dbraw/zinc/16/42/69/540164269.db2.gz RMGWXEDQJPYXCY-SJLPKXTDSA-N 2 2 342.443 1.342 20 0 EDADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000189319829 540164273 /nfs/dbraw/zinc/16/42/73/540164273.db2.gz RMGWXEDQJPYXCY-SJLPKXTDSA-N 2 2 342.443 1.342 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563353151 306329346 /nfs/dbraw/zinc/32/93/46/306329346.db2.gz MLDWLKGODCKXRD-CABCVRRESA-N 2 2 348.447 1.154 20 0 EDADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563353151 306329347 /nfs/dbraw/zinc/32/93/47/306329347.db2.gz MLDWLKGODCKXRD-CABCVRRESA-N 2 2 348.447 1.154 20 0 EDADLP C[NH+](C)CCc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000563399278 306331600 /nfs/dbraw/zinc/33/16/00/306331600.db2.gz RNEMBHAIYJVHLG-IBGZPJMESA-N 2 2 338.455 1.972 20 0 EDADLP Cc1ccc(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050799287 138133060 /nfs/dbraw/zinc/13/30/60/138133060.db2.gz JXRYTZDCSXPLKT-UHFFFAOYSA-N 2 2 343.471 1.853 20 0 EDADLP CC(=O)N1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000075777619 138243908 /nfs/dbraw/zinc/24/39/08/138243908.db2.gz JLPJMYWIERQSDT-LJQANCHMSA-N 2 2 331.460 1.006 20 0 EDADLP CC(=O)N1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000075777619 138243909 /nfs/dbraw/zinc/24/39/09/138243909.db2.gz JLPJMYWIERQSDT-LJQANCHMSA-N 2 2 331.460 1.006 20 0 EDADLP CC[NH2+]CCCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000563560655 306339079 /nfs/dbraw/zinc/33/90/79/306339079.db2.gz PAUIYJKITAXGGO-QGZVFWFLSA-N 2 2 334.464 1.359 20 0 EDADLP C[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)[C@H](C[NH3+])C1 ZINC000563586124 306339964 /nfs/dbraw/zinc/33/99/64/306339964.db2.gz GJSOIKJVNVSNIN-IAGOWNOFSA-N 2 2 348.491 1.073 20 0 EDADLP C[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)[C@H](C[NH3+])C1 ZINC000563586124 306339965 /nfs/dbraw/zinc/33/99/65/306339965.db2.gz GJSOIKJVNVSNIN-IAGOWNOFSA-N 2 2 348.491 1.073 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000093188173 138292206 /nfs/dbraw/zinc/29/22/06/138292206.db2.gz SBQLSKBLDWOIKP-LJQANCHMSA-N 2 2 345.487 1.484 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000093188173 138292207 /nfs/dbraw/zinc/29/22/07/138292207.db2.gz SBQLSKBLDWOIKP-LJQANCHMSA-N 2 2 345.487 1.484 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093204367 138292647 /nfs/dbraw/zinc/29/26/47/138292647.db2.gz MWNYYUYMVLQXPU-INIZCTEOSA-N 2 2 348.466 1.278 20 0 EDADLP COc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000121112771 138317276 /nfs/dbraw/zinc/31/72/76/138317276.db2.gz RUYSSXNDYNQKEX-NVXWUHKLSA-N 2 2 331.460 1.647 20 0 EDADLP COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000121112771 138317277 /nfs/dbraw/zinc/31/72/77/138317277.db2.gz RUYSSXNDYNQKEX-NVXWUHKLSA-N 2 2 331.460 1.647 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)C2 ZINC000122278934 138318010 /nfs/dbraw/zinc/31/80/10/138318010.db2.gz UQWOGSGAATVFKU-HUUCEWRRSA-N 2 2 333.457 1.958 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000123537690 138319081 /nfs/dbraw/zinc/31/90/81/138319081.db2.gz NWNGUWNINYNDFE-CYBMUJFWSA-N 2 2 333.436 1.005 20 0 EDADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000123537690 138319082 /nfs/dbraw/zinc/31/90/82/138319082.db2.gz NWNGUWNINYNDFE-CYBMUJFWSA-N 2 2 333.436 1.005 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000131419896 138359299 /nfs/dbraw/zinc/35/92/99/138359299.db2.gz SABLQAGYDBNJKU-HNNXBMFYSA-N 2 2 329.510 1.218 20 0 EDADLP CCOC(=O)C1CCC(O)(C[NH2+]C[C@]2([NH+](C)C)CCSC2)CC1 ZINC000563617413 306342247 /nfs/dbraw/zinc/34/22/47/306342247.db2.gz CSQYIUFJRVAMQD-ARWYELJZSA-N 2 2 344.521 1.498 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000563672774 306344643 /nfs/dbraw/zinc/34/46/43/306344643.db2.gz JMVQXAXIQXNCAK-AOIWGVFYSA-N 2 2 337.508 1.773 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000563672774 306344644 /nfs/dbraw/zinc/34/46/44/306344644.db2.gz JMVQXAXIQXNCAK-AOIWGVFYSA-N 2 2 337.508 1.773 20 0 EDADLP CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@@](C)(O)C[NH2+]C ZINC000563721815 306346013 /nfs/dbraw/zinc/34/60/13/306346013.db2.gz HAMRPZRUGYNFOL-INIZCTEOSA-N 2 2 347.381 1.725 20 0 EDADLP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@@](C)(O)C[NH2+]C ZINC000563721815 306346014 /nfs/dbraw/zinc/34/60/14/306346014.db2.gz HAMRPZRUGYNFOL-INIZCTEOSA-N 2 2 347.381 1.725 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)C[C@@H](C)O1 ZINC000564320088 306358113 /nfs/dbraw/zinc/35/81/13/306358113.db2.gz VMGIDBWPPLJJTR-ZJPYXAASSA-N 2 2 340.508 1.928 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc4c[nH+]cn4c3)[nH+]cn2)C1 ZINC000564544333 306360275 /nfs/dbraw/zinc/36/02/75/306360275.db2.gz INRPUADYSMJTOE-DZGCQCFKSA-N 2 2 338.415 1.944 20 0 EDADLP CC[C@@H](C(=O)N1[C@H](C)C[NH+](CC)C[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000565209965 306378569 /nfs/dbraw/zinc/37/85/69/306378569.db2.gz UISYVSMNRSLFFG-TWMKSMIVSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@@H](C(=O)N1[C@H](C)C[NH+](CC)C[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000565209965 306378570 /nfs/dbraw/zinc/37/85/70/306378570.db2.gz UISYVSMNRSLFFG-TWMKSMIVSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@@H](C(=O)N1[C@H](C)C[N@@H+](CC)C[C@@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC000565209965 306378571 /nfs/dbraw/zinc/37/85/71/306378571.db2.gz UISYVSMNRSLFFG-TWMKSMIVSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@@H](C(=O)N1[C@H](C)C[N@H+](CC)C[C@@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC000565209965 306378572 /nfs/dbraw/zinc/37/85/72/306378572.db2.gz UISYVSMNRSLFFG-TWMKSMIVSA-N 2 2 325.497 1.817 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000129899435 223102304 /nfs/dbraw/zinc/10/23/04/223102304.db2.gz WBKIZVJQVTVMFL-UHFFFAOYSA-N 2 2 343.431 1.432 20 0 EDADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000072859590 216319025 /nfs/dbraw/zinc/31/90/25/216319025.db2.gz MLSFTSHMISLQCY-HNNXBMFYSA-N 2 2 333.432 1.305 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000072859590 216319028 /nfs/dbraw/zinc/31/90/28/216319028.db2.gz MLSFTSHMISLQCY-HNNXBMFYSA-N 2 2 333.432 1.305 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000072859590 216319031 /nfs/dbraw/zinc/31/90/31/216319031.db2.gz MLSFTSHMISLQCY-HNNXBMFYSA-N 2 2 333.432 1.305 20 0 EDADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000072859590 216319034 /nfs/dbraw/zinc/31/90/34/216319034.db2.gz MLSFTSHMISLQCY-HNNXBMFYSA-N 2 2 333.432 1.305 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](Cc2ccc(F)cc2)C(N)=O)n1C ZINC000414370972 304112853 /nfs/dbraw/zinc/11/28/53/304112853.db2.gz XHGGAPJIGWKHQS-CYBMUJFWSA-N 2 2 333.411 1.059 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2c[nH]c3cc(F)ccc23)C[C@@H](C)O1 ZINC000565946290 306394954 /nfs/dbraw/zinc/39/49/54/306394954.db2.gz MXUJZKAHHNOQQG-CPUCHLNUSA-N 2 2 349.450 1.909 20 0 EDADLP COCC(COC)[NH+]1CCN(Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000414474514 304117423 /nfs/dbraw/zinc/11/74/23/304117423.db2.gz SIYFERZGEHQFHI-UHFFFAOYSA-N 2 2 332.448 1.422 20 0 EDADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(CC[NH3+])CCO)n2)C1 ZINC000414747661 304136631 /nfs/dbraw/zinc/13/66/31/304136631.db2.gz HLVUQWNDVNPJFM-LBPRGKRZSA-N 2 2 341.481 1.160 20 0 EDADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CC[NH3+])CCO)n2)C1 ZINC000414747661 304136632 /nfs/dbraw/zinc/13/66/32/304136632.db2.gz HLVUQWNDVNPJFM-LBPRGKRZSA-N 2 2 341.481 1.160 20 0 EDADLP Cn1ccc([C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000566672666 306424307 /nfs/dbraw/zinc/42/43/07/306424307.db2.gz YXVMNJSLIPEMMU-QGZVFWFLSA-N 2 2 347.850 1.184 20 0 EDADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(CC[NH2+]C(C)C)CC2)n1 ZINC000193456934 138969707 /nfs/dbraw/zinc/96/97/07/138969707.db2.gz NKTYFPPINFHQRD-CQSZACIVSA-N 2 2 325.457 1.283 20 0 EDADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(CC[NH2+]C(C)C)CC2)n1 ZINC000193456934 138969708 /nfs/dbraw/zinc/96/97/08/138969708.db2.gz NKTYFPPINFHQRD-CQSZACIVSA-N 2 2 325.457 1.283 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)c3csc(CC[NH3+])n3)CC2)c1 ZINC000194826073 139000836 /nfs/dbraw/zinc/00/08/36/139000836.db2.gz ZCSYSWIDAFRLOZ-UHFFFAOYSA-N 2 2 344.484 1.911 20 0 EDADLP [NH3+]CCc1nc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cs1 ZINC000194831336 139000920 /nfs/dbraw/zinc/00/09/20/139000920.db2.gz XZIXQYKAOBIWDX-UHFFFAOYSA-N 2 2 336.486 1.494 20 0 EDADLP [NH3+]CCc1nc(C(=O)NCC[N@H+]2CCc3sccc3C2)cs1 ZINC000194831336 139000921 /nfs/dbraw/zinc/00/09/21/139000921.db2.gz XZIXQYKAOBIWDX-UHFFFAOYSA-N 2 2 336.486 1.494 20 0 EDADLP C[C@@H](c1cccc(NC(=O)N[C@@H]2CCC[NH2+]C2)c1)[NH+]1CCOCC1 ZINC000415151823 304165906 /nfs/dbraw/zinc/16/59/06/304165906.db2.gz TVDWWQUWXVUROO-WMLDXEAASA-N 2 2 332.448 1.953 20 0 EDADLP [NH3+][C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C1CC1 ZINC000415160940 304168296 /nfs/dbraw/zinc/16/82/96/304168296.db2.gz UIKZDCSPVQDHFQ-CQSZACIVSA-N 2 2 329.404 1.821 20 0 EDADLP Cc1cnc([C@H](C)NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000079082077 217189710 /nfs/dbraw/zinc/18/97/10/217189710.db2.gz NJYBGTKGAUDTNE-ZDUSSCGKSA-N 2 2 339.509 1.838 20 0 EDADLP COc1ccccc1[C@H](CNC(=O)[C@H]1CSC[NH2+]1)[NH+]1CCCC1 ZINC000237261380 139045909 /nfs/dbraw/zinc/04/59/09/139045909.db2.gz OAZWJVZZNDTEBO-CABCVRRESA-N 2 2 335.473 1.611 20 0 EDADLP CNC(=O)c1ccc(C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)cc1 ZINC000079496924 217235511 /nfs/dbraw/zinc/23/55/11/217235511.db2.gz NQDHYKGWFLHLDD-ZDUSSCGKSA-N 2 2 332.473 1.655 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000237419300 139050640 /nfs/dbraw/zinc/05/06/40/139050640.db2.gz VZCVQCBHEPGJNH-WBVHZDCISA-N 2 2 332.448 1.055 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237759659 139059724 /nfs/dbraw/zinc/05/97/24/139059724.db2.gz WSKKUJDHUIYPNT-HNNXBMFYSA-N 2 2 330.432 1.620 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000237870486 139062352 /nfs/dbraw/zinc/06/23/52/139062352.db2.gz DCBMVQKTHGFYQC-KZNAEPCWSA-N 2 2 331.460 1.521 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000237870486 139062353 /nfs/dbraw/zinc/06/23/53/139062353.db2.gz DCBMVQKTHGFYQC-KZNAEPCWSA-N 2 2 331.460 1.521 20 0 EDADLP [NH3+]CCCCCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237989370 139065759 /nfs/dbraw/zinc/06/57/59/139065759.db2.gz XIUBORZRLRQRPV-SFHVURJKSA-N 2 2 333.476 1.913 20 0 EDADLP [NH3+]CCCCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237989370 139065760 /nfs/dbraw/zinc/06/57/60/139065760.db2.gz XIUBORZRLRQRPV-SFHVURJKSA-N 2 2 333.476 1.913 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000245696430 139083551 /nfs/dbraw/zinc/08/35/51/139083551.db2.gz WXRMYFINYDOMOV-STQMWFEESA-N 2 2 344.381 1.838 20 0 EDADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000245696430 139083552 /nfs/dbraw/zinc/08/35/52/139083552.db2.gz WXRMYFINYDOMOV-STQMWFEESA-N 2 2 344.381 1.838 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H](C)O1 ZINC000245937420 139090596 /nfs/dbraw/zinc/09/05/96/139090596.db2.gz LHFUBIGYWBDEEV-KFWWJZLASA-N 2 2 334.464 1.450 20 0 EDADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000246227445 139100211 /nfs/dbraw/zinc/10/02/11/139100211.db2.gz FLJFBNBAXWRJTN-AGIUHOORSA-N 2 2 330.354 1.929 20 0 EDADLP C[C@@H]1CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000246227445 139100212 /nfs/dbraw/zinc/10/02/12/139100212.db2.gz FLJFBNBAXWRJTN-AGIUHOORSA-N 2 2 330.354 1.929 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246399739 139106825 /nfs/dbraw/zinc/10/68/25/139106825.db2.gz QLAIWOFNIDOOQU-KBPBESRZSA-N 2 2 332.448 1.257 20 0 EDADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246399739 139106826 /nfs/dbraw/zinc/10/68/26/139106826.db2.gz QLAIWOFNIDOOQU-KBPBESRZSA-N 2 2 332.448 1.257 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246580450 139113689 /nfs/dbraw/zinc/11/36/89/139113689.db2.gz HVIHRBYDPRCGHN-SJORKVTESA-N 2 2 325.497 1.581 20 0 EDADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246580450 139113690 /nfs/dbraw/zinc/11/36/90/139113690.db2.gz HVIHRBYDPRCGHN-SJORKVTESA-N 2 2 325.497 1.581 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246558813 139112809 /nfs/dbraw/zinc/11/28/09/139112809.db2.gz YYAMBTNYSSTKJV-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246558813 139112810 /nfs/dbraw/zinc/11/28/10/139112810.db2.gz YYAMBTNYSSTKJV-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246558813 139112812 /nfs/dbraw/zinc/11/28/12/139112812.db2.gz YYAMBTNYSSTKJV-ZWKOTPCHSA-N 2 2 346.475 1.281 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](OCCO)C3)c2cc1C ZINC000246739978 139119696 /nfs/dbraw/zinc/11/96/96/139119696.db2.gz ILHSEXJWWZNEPZ-IAGOWNOFSA-N 2 2 347.459 1.487 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCOC1=O ZINC000247082402 139135045 /nfs/dbraw/zinc/13/50/45/139135045.db2.gz QZSHNBUOBYLUMS-DOTOQJQBSA-N 2 2 332.448 1.724 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCOC1=O ZINC000247082402 139135046 /nfs/dbraw/zinc/13/50/46/139135046.db2.gz QZSHNBUOBYLUMS-DOTOQJQBSA-N 2 2 332.448 1.724 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000568175186 306474683 /nfs/dbraw/zinc/47/46/83/306474683.db2.gz VEJTZMLGYJUUGR-INIZCTEOSA-N 2 2 339.524 1.848 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N([C@H](C)C3CC3)C3CC3)C2)CC1 ZINC000247387887 139146869 /nfs/dbraw/zinc/14/68/69/139146869.db2.gz VIIXYVDGGSCGPH-APWZRJJASA-N 2 2 348.535 1.488 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N([C@H](C)C3CC3)C3CC3)C2)CC1 ZINC000247387887 139146870 /nfs/dbraw/zinc/14/68/70/139146870.db2.gz VIIXYVDGGSCGPH-APWZRJJASA-N 2 2 348.535 1.488 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)on1 ZINC000247442818 139148771 /nfs/dbraw/zinc/14/87/71/139148771.db2.gz XINXMOVAGPLSDM-KBPBESRZSA-N 2 2 331.420 1.998 20 0 EDADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)on1 ZINC000247442818 139148772 /nfs/dbraw/zinc/14/87/72/139148772.db2.gz XINXMOVAGPLSDM-KBPBESRZSA-N 2 2 331.420 1.998 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000247936764 139155842 /nfs/dbraw/zinc/15/58/42/139155842.db2.gz CPPPKSSMBDNPKB-DLBZAZTESA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000247936764 139155843 /nfs/dbraw/zinc/15/58/43/139155843.db2.gz CPPPKSSMBDNPKB-DLBZAZTESA-N 2 2 335.423 1.098 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000248068433 139157888 /nfs/dbraw/zinc/15/78/88/139157888.db2.gz MIVIPMPHKQCNPZ-RBUKOAKNSA-N 2 2 327.472 1.987 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000248068433 139157889 /nfs/dbraw/zinc/15/78/89/139157889.db2.gz MIVIPMPHKQCNPZ-RBUKOAKNSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000248068433 139157890 /nfs/dbraw/zinc/15/78/90/139157890.db2.gz MIVIPMPHKQCNPZ-RBUKOAKNSA-N 2 2 327.472 1.987 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCc4ccccc4C3)CC[C@H]21 ZINC000248068433 139157891 /nfs/dbraw/zinc/15/78/91/139157891.db2.gz MIVIPMPHKQCNPZ-RBUKOAKNSA-N 2 2 327.472 1.987 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000248168113 139158854 /nfs/dbraw/zinc/15/88/54/139158854.db2.gz UEWRFUCBWNQLEN-NLWGTHIKSA-N 3 2 345.535 1.518 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248168113 139158855 /nfs/dbraw/zinc/15/88/55/139158855.db2.gz UEWRFUCBWNQLEN-NLWGTHIKSA-N 3 2 345.535 1.518 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000248370657 139160829 /nfs/dbraw/zinc/16/08/29/139160829.db2.gz XTRCDUWDFKFUAE-QFBILLFUSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000248370657 139160830 /nfs/dbraw/zinc/16/08/30/139160830.db2.gz XTRCDUWDFKFUAE-QFBILLFUSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000248401298 139162084 /nfs/dbraw/zinc/16/20/84/139162084.db2.gz ZIBDALZQCACOFW-SJLPKXTDSA-N 2 2 346.475 1.138 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000248401298 139162085 /nfs/dbraw/zinc/16/20/85/139162085.db2.gz ZIBDALZQCACOFW-SJLPKXTDSA-N 2 2 346.475 1.138 20 0 EDADLP Cc1cc(CNC(=O)CCc2c[nH+]cn2C)cc(N2CCCC2)[nH+]1 ZINC000568810139 306489250 /nfs/dbraw/zinc/48/92/50/306489250.db2.gz INOKPMSBQAYQLP-UHFFFAOYSA-N 2 2 327.432 1.973 20 0 EDADLP Cc1nn(C)cc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000093104879 218194356 /nfs/dbraw/zinc/19/43/56/218194356.db2.gz GYOGTIKTCSEHKE-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP Cc1nn(C)cc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000093104879 218194358 /nfs/dbraw/zinc/19/43/58/218194358.db2.gz GYOGTIKTCSEHKE-UHFFFAOYSA-N 2 2 341.503 1.978 20 0 EDADLP c1cc(N2CCCC2)ncc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664427 218240770 /nfs/dbraw/zinc/24/07/70/218240770.db2.gz PBJQXXIAUKLJIZ-SFHVURJKSA-N 2 2 330.476 1.836 20 0 EDADLP c1cc(N2CCCC2)ncc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093664427 218240772 /nfs/dbraw/zinc/24/07/72/218240772.db2.gz PBJQXXIAUKLJIZ-SFHVURJKSA-N 2 2 330.476 1.836 20 0 EDADLP Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1-n1cncn1 ZINC000093663938 218241275 /nfs/dbraw/zinc/24/12/75/218241275.db2.gz OFIHHFXMBABHCN-SFHVURJKSA-N 2 2 341.459 1.730 20 0 EDADLP Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1-n1cncn1 ZINC000093663938 218241278 /nfs/dbraw/zinc/24/12/78/218241278.db2.gz OFIHHFXMBABHCN-SFHVURJKSA-N 2 2 341.459 1.730 20 0 EDADLP CC(=O)Nc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000093821355 218253232 /nfs/dbraw/zinc/25/32/32/218253232.db2.gz OYIORBWQOWSCLA-GOSISDBHSA-N 2 2 344.459 1.383 20 0 EDADLP CC(=O)Nc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000093821355 218253234 /nfs/dbraw/zinc/25/32/34/218253234.db2.gz OYIORBWQOWSCLA-GOSISDBHSA-N 2 2 344.459 1.383 20 0 EDADLP CCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249548632 139195426 /nfs/dbraw/zinc/19/54/26/139195426.db2.gz HBRYKUNDCBCNBE-XLIONFOSSA-N 2 2 347.503 1.860 20 0 EDADLP CCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249548632 139195427 /nfs/dbraw/zinc/19/54/27/139195427.db2.gz HBRYKUNDCBCNBE-XLIONFOSSA-N 2 2 347.503 1.860 20 0 EDADLP CCCCNC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249548632 139195428 /nfs/dbraw/zinc/19/54/28/139195428.db2.gz HBRYKUNDCBCNBE-XLIONFOSSA-N 2 2 347.503 1.860 20 0 EDADLP CCCCNC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249548632 139195429 /nfs/dbraw/zinc/19/54/29/139195429.db2.gz HBRYKUNDCBCNBE-XLIONFOSSA-N 2 2 347.503 1.860 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(OC(F)(F)F)c1 ZINC000261607550 139210360 /nfs/dbraw/zinc/21/03/60/139210360.db2.gz APRQLHCFITVEPT-UHFFFAOYSA-N 2 2 331.338 1.449 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(OC(F)(F)F)c1 ZINC000261607550 139210361 /nfs/dbraw/zinc/21/03/61/139210361.db2.gz APRQLHCFITVEPT-UHFFFAOYSA-N 2 2 331.338 1.449 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000261643354 139213810 /nfs/dbraw/zinc/21/38/10/139213810.db2.gz XEEHRKXBIMWNGZ-ZDUSSCGKSA-N 2 2 327.226 1.453 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000261643354 139213811 /nfs/dbraw/zinc/21/38/11/139213811.db2.gz XEEHRKXBIMWNGZ-ZDUSSCGKSA-N 2 2 327.226 1.453 20 0 EDADLP Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261644310 139214002 /nfs/dbraw/zinc/21/40/02/139214002.db2.gz AMRQVTYRIBOLKO-SFHVURJKSA-N 2 2 344.503 1.859 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261675879 139216576 /nfs/dbraw/zinc/21/65/76/139216576.db2.gz CXRNRQBGSJMKAP-CQSZACIVSA-N 2 2 337.221 1.971 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@]3(C)CC[NH2+]C3)C2=O)c1 ZINC000261722079 139220586 /nfs/dbraw/zinc/22/05/86/139220586.db2.gz FZQVZSPDRAEWQZ-IEBWSBKVSA-N 2 2 347.459 1.741 20 0 EDADLP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)C[C@]3(C)CC[NH2+]C3)C2=O)c1 ZINC000261722079 139220587 /nfs/dbraw/zinc/22/05/87/139220587.db2.gz FZQVZSPDRAEWQZ-IEBWSBKVSA-N 2 2 347.459 1.741 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000261724897 139220788 /nfs/dbraw/zinc/22/07/88/139220788.db2.gz JOUOLILZVWGXTR-ZSWVUIPGSA-N 2 2 348.491 1.452 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000261724897 139220789 /nfs/dbraw/zinc/22/07/89/139220789.db2.gz JOUOLILZVWGXTR-ZSWVUIPGSA-N 2 2 348.491 1.452 20 0 EDADLP C[C@H]1CN(c2ccc(CNC(=O)CC[C@H]3CC[NH2+]C3)c[nH+]2)CCO1 ZINC000261899659 139235149 /nfs/dbraw/zinc/23/51/49/139235149.db2.gz UVGKZQZPDNEJIX-GJZGRUSLSA-N 2 2 332.448 1.313 20 0 EDADLP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000261964607 139240356 /nfs/dbraw/zinc/24/03/56/139240356.db2.gz YDKYLAZMHJDTGC-KURKYZTESA-N 2 2 328.460 1.647 20 0 EDADLP C[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000262038216 139245776 /nfs/dbraw/zinc/24/57/76/139245776.db2.gz XYHORGRSYXAHOC-SMDDNHRTSA-N 2 2 340.265 1.907 20 0 EDADLP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000262038216 139245777 /nfs/dbraw/zinc/24/57/77/139245777.db2.gz XYHORGRSYXAHOC-SMDDNHRTSA-N 2 2 340.265 1.907 20 0 EDADLP COCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[NH2+]CC1 ZINC000262098667 139250681 /nfs/dbraw/zinc/25/06/81/139250681.db2.gz VLIGTACZPYNSFQ-UHFFFAOYSA-N 2 2 329.404 1.013 20 0 EDADLP Cc1cc(C)cc(-n2ncc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262111785 139251820 /nfs/dbraw/zinc/25/18/20/139251820.db2.gz KKUYONHEWBPXKD-GOSISDBHSA-N 2 2 340.475 1.364 20 0 EDADLP Cc1cc(C)cc(-n2ncc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262111785 139251821 /nfs/dbraw/zinc/25/18/21/139251821.db2.gz KKUYONHEWBPXKD-GOSISDBHSA-N 2 2 340.475 1.364 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c[nH+]2)CCO1 ZINC000262303055 139268338 /nfs/dbraw/zinc/26/83/38/139268338.db2.gz QTIRSKFCBDKLRQ-VNQPRFMTSA-N 2 2 332.448 1.440 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C1(C[NH3+])CCOCC1 ZINC000262295680 139267493 /nfs/dbraw/zinc/26/74/93/139267493.db2.gz PAPAMXRHMWBBMN-UHFFFAOYSA-N 2 2 342.443 1.645 20 0 EDADLP CS(=O)(=O)C1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CC[NH2+]CC1 ZINC000262331725 139270804 /nfs/dbraw/zinc/27/08/04/139270804.db2.gz GVLHFASZGMTICG-UHFFFAOYSA-N 2 2 348.428 1.182 20 0 EDADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC[NH2+]1 ZINC000262357741 139272809 /nfs/dbraw/zinc/27/28/09/139272809.db2.gz IFSXGRHRRNATLO-SZMVWBNQSA-N 2 2 331.460 1.252 20 0 EDADLP O=C(NCc1[nH+]ccn1CCCc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000417837240 251291739 /nfs/dbraw/zinc/29/17/39/251291739.db2.gz HZGPKDRNSHIKEQ-INIZCTEOSA-N 2 2 327.432 1.677 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000417811066 251278310 /nfs/dbraw/zinc/27/83/10/251278310.db2.gz CTQITHNESDAYNH-ZOBORPQBSA-N 2 2 340.493 1.545 20 0 EDADLP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000417811066 251278314 /nfs/dbraw/zinc/27/83/14/251278314.db2.gz CTQITHNESDAYNH-ZOBORPQBSA-N 2 2 340.493 1.545 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C[C@@H]1CC ZINC000262673795 139295283 /nfs/dbraw/zinc/29/52/83/139295283.db2.gz SWDAVUDSDSCRTB-ROUUACIJSA-N 2 2 333.476 1.954 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C[C@@H]1CC ZINC000262673795 139295284 /nfs/dbraw/zinc/29/52/84/139295284.db2.gz SWDAVUDSDSCRTB-ROUUACIJSA-N 2 2 333.476 1.954 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422892928 252013730 /nfs/dbraw/zinc/01/37/30/252013730.db2.gz ZTYOZMSJNVQEAG-ZYSHUDEJSA-N 3 2 344.503 1.614 20 0 EDADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422892928 252013732 /nfs/dbraw/zinc/01/37/32/252013732.db2.gz ZTYOZMSJNVQEAG-ZYSHUDEJSA-N 3 2 344.503 1.614 20 0 EDADLP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000422902326 252016431 /nfs/dbraw/zinc/01/64/31/252016431.db2.gz MVNONPHPFKLHKY-WMLDXEAASA-N 2 2 339.505 1.946 20 0 EDADLP CC[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422862821 252003595 /nfs/dbraw/zinc/00/35/95/252003595.db2.gz QKZILPCOHKXCCO-SJORKVTESA-N 2 2 340.489 1.979 20 0 EDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[N@@H+]1CCc2ccccc2C1 ZINC000423356766 252052558 /nfs/dbraw/zinc/05/25/58/252052558.db2.gz KKCKNIJHOFXDFP-WBMJQRKESA-N 2 2 330.457 1.706 20 0 EDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[N@H+]1CCc2ccccc2C1 ZINC000423356766 252052561 /nfs/dbraw/zinc/05/25/61/252052561.db2.gz KKCKNIJHOFXDFP-WBMJQRKESA-N 2 2 330.457 1.706 20 0 EDADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1OCC(=O)N(C)C ZINC000423515071 252058062 /nfs/dbraw/zinc/05/80/62/252058062.db2.gz FAACYMJKMCIILF-GOEBONIOSA-N 2 2 335.448 1.183 20 0 EDADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423736235 252067056 /nfs/dbraw/zinc/06/70/56/252067056.db2.gz YCYFOVOSHPEIPY-MRXNPFEDSA-N 2 2 333.432 1.174 20 0 EDADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423736235 252067058 /nfs/dbraw/zinc/06/70/58/252067058.db2.gz YCYFOVOSHPEIPY-MRXNPFEDSA-N 2 2 333.432 1.174 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000423838757 252087473 /nfs/dbraw/zinc/08/74/73/252087473.db2.gz XVMSIOKZDJAUOP-NVXWUHKLSA-N 2 2 339.386 1.205 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)CCOC2C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000423838757 252087475 /nfs/dbraw/zinc/08/74/75/252087475.db2.gz XVMSIOKZDJAUOP-NVXWUHKLSA-N 2 2 339.386 1.205 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCN1C ZINC000423872874 252101865 /nfs/dbraw/zinc/10/18/65/252101865.db2.gz QNVXLVXQEZTOKV-CVEARBPZSA-N 2 2 345.422 1.117 20 0 EDADLP C[C@]1(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC[NH2+]C1 ZINC000423932612 252104770 /nfs/dbraw/zinc/10/47/70/252104770.db2.gz SUZOLGYYFXAHSS-KXBFYZLASA-N 2 2 344.459 1.661 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424127425 252134699 /nfs/dbraw/zinc/13/46/99/252134699.db2.gz DBGGYWHFJHABOB-ZDUSSCGKSA-N 2 2 338.415 1.497 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000424298333 252192702 /nfs/dbraw/zinc/19/27/02/252192702.db2.gz CZEUSUATSZWRSO-HZPDHXFCSA-N 2 2 330.432 1.377 20 0 EDADLP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)OCCO2 ZINC000424334650 252197978 /nfs/dbraw/zinc/19/79/78/252197978.db2.gz NTNJWNOFMGYFQS-WMHQRMGPSA-N 2 2 347.459 1.883 20 0 EDADLP Cn1cc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424386561 252206049 /nfs/dbraw/zinc/20/60/49/252206049.db2.gz XKNXOBGSPLJRRG-ZWKOTPCHSA-N 2 2 336.443 1.747 20 0 EDADLP Cn1cc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424386561 252206053 /nfs/dbraw/zinc/20/60/53/252206053.db2.gz XKNXOBGSPLJRRG-ZWKOTPCHSA-N 2 2 336.443 1.747 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1cccs1 ZINC000263744841 139357231 /nfs/dbraw/zinc/35/72/31/139357231.db2.gz IFOCVULVHIWDLB-UHFFFAOYSA-N 2 2 338.521 1.958 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1cccs1 ZINC000263744841 139357232 /nfs/dbraw/zinc/35/72/32/139357232.db2.gz IFOCVULVHIWDLB-UHFFFAOYSA-N 2 2 338.521 1.958 20 0 EDADLP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000488746366 255051950 /nfs/dbraw/zinc/05/19/50/255051950.db2.gz CJMFOIKQLQTBAE-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000488746366 255051951 /nfs/dbraw/zinc/05/19/51/255051951.db2.gz CJMFOIKQLQTBAE-GDBMZVCRSA-N 2 2 337.489 1.095 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cnnn2Cc2ccccc2)C[C@@H](C)O1 ZINC000490566063 255092501 /nfs/dbraw/zinc/09/25/01/255092501.db2.gz GFFXRQQSINZFES-IAGOWNOFSA-N 2 2 343.475 1.915 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C[C@@H]1C ZINC000494224524 255242527 /nfs/dbraw/zinc/24/25/27/255242527.db2.gz UDPKOEODGDTJSJ-XIRDDKMYSA-N 2 2 338.496 1.364 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)C[C@@H]1C ZINC000494224524 255242528 /nfs/dbraw/zinc/24/25/28/255242528.db2.gz UDPKOEODGDTJSJ-XIRDDKMYSA-N 2 2 338.496 1.364 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C[C@@H]1C ZINC000494224524 255242529 /nfs/dbraw/zinc/24/25/29/255242529.db2.gz UDPKOEODGDTJSJ-XIRDDKMYSA-N 2 2 338.496 1.364 20 0 EDADLP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C[C@@H]1C ZINC000494224524 255242530 /nfs/dbraw/zinc/24/25/30/255242530.db2.gz UDPKOEODGDTJSJ-XIRDDKMYSA-N 2 2 338.496 1.364 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000494218531 255242614 /nfs/dbraw/zinc/24/26/14/255242614.db2.gz CZHLMUKBNOYVNJ-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000494218531 255242615 /nfs/dbraw/zinc/24/26/15/255242615.db2.gz CZHLMUKBNOYVNJ-INIZCTEOSA-N 2 2 340.512 1.661 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000494679796 255257868 /nfs/dbraw/zinc/25/78/68/255257868.db2.gz GNBSDCQMBKWMLA-MRXNPFEDSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCO1 ZINC000494679796 255257869 /nfs/dbraw/zinc/25/78/69/255257869.db2.gz GNBSDCQMBKWMLA-MRXNPFEDSA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)CCO1 ZINC000494875933 255263833 /nfs/dbraw/zinc/26/38/33/255263833.db2.gz GHWSVXQICJCDQY-BBWFWOEESA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)CCO1 ZINC000494875933 255263834 /nfs/dbraw/zinc/26/38/34/255263834.db2.gz GHWSVXQICJCDQY-BBWFWOEESA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CCO1 ZINC000494875933 255263835 /nfs/dbraw/zinc/26/38/35/255263835.db2.gz GHWSVXQICJCDQY-BBWFWOEESA-N 2 2 340.512 1.659 20 0 EDADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CCO1 ZINC000494875933 255263836 /nfs/dbraw/zinc/26/38/36/255263836.db2.gz GHWSVXQICJCDQY-BBWFWOEESA-N 2 2 340.512 1.659 20 0 EDADLP C[NH+](C)CCCOc1cnccc1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000495093822 255268498 /nfs/dbraw/zinc/26/84/98/255268498.db2.gz MUNOUUOFAHEEFU-UHFFFAOYSA-N 2 2 345.447 1.729 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495616031 255310261 /nfs/dbraw/zinc/31/02/61/255310261.db2.gz KHZJJDIJNUVMLC-DZGCQCFKSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495616031 255310262 /nfs/dbraw/zinc/31/02/62/255310262.db2.gz KHZJJDIJNUVMLC-DZGCQCFKSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](CCCn1cc[nH+]c1)CCO2 ZINC000496075368 255349582 /nfs/dbraw/zinc/34/95/82/255349582.db2.gz GJWYCTATQVYQMP-UHFFFAOYSA-N 2 2 336.436 1.595 20 0 EDADLP CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CCCn1cc[nH+]c1)CCO2 ZINC000496075368 255349583 /nfs/dbraw/zinc/34/95/83/255349583.db2.gz GJWYCTATQVYQMP-UHFFFAOYSA-N 2 2 336.436 1.595 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092348 255351447 /nfs/dbraw/zinc/35/14/47/255351447.db2.gz KKLKYNGNNXNBLI-CABCVRRESA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092348 255351448 /nfs/dbraw/zinc/35/14/48/255351448.db2.gz KKLKYNGNNXNBLI-CABCVRRESA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092348 255351449 /nfs/dbraw/zinc/35/14/49/255351449.db2.gz KKLKYNGNNXNBLI-CABCVRRESA-N 2 2 329.485 1.630 20 0 EDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496092348 255351450 /nfs/dbraw/zinc/35/14/50/255351450.db2.gz KKLKYNGNNXNBLI-CABCVRRESA-N 2 2 329.485 1.630 20 0 EDADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496093423 255351647 /nfs/dbraw/zinc/35/16/47/255351647.db2.gz UNICFETZGKOAOX-GJZGRUSLSA-N 2 2 329.485 1.726 20 0 EDADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496093423 255351648 /nfs/dbraw/zinc/35/16/48/255351648.db2.gz UNICFETZGKOAOX-GJZGRUSLSA-N 2 2 329.485 1.726 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)nc[nH+]1 ZINC000333009426 285272940 /nfs/dbraw/zinc/27/29/40/285272940.db2.gz FMXQXUFDVIZGRY-IRXDYDNUSA-N 2 2 345.491 1.892 20 0 EDADLP Cc1cccc(N2CCC(NC(=O)N3CC[NH+](C4CC4)CC3)CC2)[nH+]1 ZINC000117057249 221029332 /nfs/dbraw/zinc/02/93/32/221029332.db2.gz MHTUPSMDKVBSJK-UHFFFAOYSA-N 2 2 343.475 1.848 20 0 EDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000264073092 139379100 /nfs/dbraw/zinc/37/91/00/139379100.db2.gz LATJTIYEOVTOTF-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000264073092 139379101 /nfs/dbraw/zinc/37/91/01/139379101.db2.gz LATJTIYEOVTOTF-OAHLLOKOSA-N 2 2 349.479 1.448 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000119733113 221389600 /nfs/dbraw/zinc/38/96/00/221389600.db2.gz UGILJRZNQBQYLM-UHFFFAOYSA-N 2 2 329.404 1.079 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000264215404 139387496 /nfs/dbraw/zinc/38/74/96/139387496.db2.gz NKSBDBYNJGYIQL-NVXWUHKLSA-N 2 2 333.501 1.814 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000264215404 139387497 /nfs/dbraw/zinc/38/74/97/139387497.db2.gz NKSBDBYNJGYIQL-NVXWUHKLSA-N 2 2 333.501 1.814 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H](C)[C@H](C)[NH+]3CCOCC3)cn2c1 ZINC000264339827 139398585 /nfs/dbraw/zinc/39/85/85/139398585.db2.gz ZHXGEJUILLFVOD-GJZGRUSLSA-N 2 2 345.447 1.551 20 0 EDADLP C[NH2+]Cc1ccccc1NC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000415917857 304285306 /nfs/dbraw/zinc/28/53/06/304285306.db2.gz DWTOCAITMHKQOR-QGZVFWFLSA-N 2 2 346.475 1.981 20 0 EDADLP C[NH2+]Cc1ccccc1NC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000415917857 304285308 /nfs/dbraw/zinc/28/53/08/304285308.db2.gz DWTOCAITMHKQOR-QGZVFWFLSA-N 2 2 346.475 1.981 20 0 EDADLP CC[NH2+]Cc1cccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)c1 ZINC000415920030 304285569 /nfs/dbraw/zinc/28/55/69/304285569.db2.gz OBISBAOAWHNKCO-UHFFFAOYSA-N 2 2 332.448 1.782 20 0 EDADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000571055742 306557092 /nfs/dbraw/zinc/55/70/92/306557092.db2.gz YSAAZJIJGLVSLH-KRWDZBQOSA-N 2 2 344.459 1.877 20 0 EDADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)C[C@@H]21 ZINC000416244277 304300086 /nfs/dbraw/zinc/30/00/86/304300086.db2.gz QCCFWWGQYRDSQG-OALUTQOASA-N 2 2 343.471 1.366 20 0 EDADLP C[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)C[C@@H]21 ZINC000416244277 304300087 /nfs/dbraw/zinc/30/00/87/304300087.db2.gz QCCFWWGQYRDSQG-OALUTQOASA-N 2 2 343.471 1.366 20 0 EDADLP C[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000416244277 304300090 /nfs/dbraw/zinc/30/00/90/304300090.db2.gz QCCFWWGQYRDSQG-OALUTQOASA-N 2 2 343.471 1.366 20 0 EDADLP C[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+]3CCc4ccccc4C3)C[C@@H]21 ZINC000416244277 304300091 /nfs/dbraw/zinc/30/00/91/304300091.db2.gz QCCFWWGQYRDSQG-OALUTQOASA-N 2 2 343.471 1.366 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000271188022 140253643 /nfs/dbraw/zinc/25/36/43/140253643.db2.gz ZXMXCNNXERTSGQ-HNNXBMFYSA-N 2 2 332.448 1.266 20 0 EDADLP COc1cccc(OC)c1OC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271720860 140339265 /nfs/dbraw/zinc/33/92/65/140339265.db2.gz RJFRBVMUQMJAEL-HNNXBMFYSA-N 2 2 349.431 1.662 20 0 EDADLP COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271720860 140339267 /nfs/dbraw/zinc/33/92/67/140339267.db2.gz RJFRBVMUQMJAEL-HNNXBMFYSA-N 2 2 349.431 1.662 20 0 EDADLP COC(=O)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c[nH]1 ZINC000332113328 141125221 /nfs/dbraw/zinc/12/52/21/141125221.db2.gz GRMZZPZLNSILIG-UHFFFAOYSA-N 2 2 348.447 1.090 20 0 EDADLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000332909313 141244281 /nfs/dbraw/zinc/24/42/81/141244281.db2.gz PSNFDBMZNJGDLB-ZBFHGGJFSA-N 2 2 332.448 1.205 20 0 EDADLP O=C(NC[C@H]1CCc2[nH+]ccn2C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000332909313 141244283 /nfs/dbraw/zinc/24/42/83/141244283.db2.gz PSNFDBMZNJGDLB-ZBFHGGJFSA-N 2 2 332.448 1.205 20 0 EDADLP c1[nH+]cn2c1C[C@H](c1nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no1)CC2 ZINC000333749422 141372726 /nfs/dbraw/zinc/37/27/26/141372726.db2.gz SQRZCSAYHMSYRU-VNHYZAJKSA-N 2 2 329.404 1.922 20 0 EDADLP c1[nH+]cn2c1C[C@H](c1nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)CC2 ZINC000333749422 141372728 /nfs/dbraw/zinc/37/27/28/141372728.db2.gz SQRZCSAYHMSYRU-VNHYZAJKSA-N 2 2 329.404 1.922 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CCN1C ZINC000333810908 141385891 /nfs/dbraw/zinc/38/58/91/141385891.db2.gz JGPVWHXDAPCLBC-CVEARBPZSA-N 2 2 348.495 1.326 20 0 EDADLP CSc1cccc(NC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000572300129 306585361 /nfs/dbraw/zinc/58/53/61/306585361.db2.gz BXDYXIMRDYTCDJ-UHFFFAOYSA-N 2 2 331.445 1.892 20 0 EDADLP CCc1oc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1C(=O)OC ZINC000338941534 141922189 /nfs/dbraw/zinc/92/21/89/141922189.db2.gz KCSZVMHAAZOPNU-AWEZNQCLSA-N 2 2 338.448 1.811 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000339278949 142002293 /nfs/dbraw/zinc/00/22/93/142002293.db2.gz LOFMUGWTTLEHIM-ZHALLVOQSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000339278949 142002294 /nfs/dbraw/zinc/00/22/94/142002294.db2.gz LOFMUGWTTLEHIM-ZHALLVOQSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000339278949 142002297 /nfs/dbraw/zinc/00/22/97/142002297.db2.gz LOFMUGWTTLEHIM-ZHALLVOQSA-N 2 2 347.503 1.811 20 0 EDADLP CC[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000339278949 142002299 /nfs/dbraw/zinc/00/22/99/142002299.db2.gz LOFMUGWTTLEHIM-ZHALLVOQSA-N 2 2 347.503 1.811 20 0 EDADLP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[NH+]1CCOCC1 ZINC000339698934 142124112 /nfs/dbraw/zinc/12/41/12/142124112.db2.gz KNNOKVOLTBBKGE-OAHLLOKOSA-N 2 2 337.439 1.437 20 0 EDADLP c1cn(CCN2CC[N@H+](CCn3cc[nH+]c3)[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000339733875 142137713 /nfs/dbraw/zinc/13/77/13/142137713.db2.gz MAWUTEPIYXLXAM-ROUUACIJSA-N 3 2 328.464 1.709 20 0 EDADLP c1cn(CCN2CC[N@@H+](CCn3cc[nH+]c3)[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000339733875 142137714 /nfs/dbraw/zinc/13/77/14/142137714.db2.gz MAWUTEPIYXLXAM-ROUUACIJSA-N 3 2 328.464 1.709 20 0 EDADLP C[NH+]1CCN(CCC[NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000340180855 142294034 /nfs/dbraw/zinc/29/40/34/142294034.db2.gz OECHZYZDJPRWNK-MRXNPFEDSA-N 2 2 332.427 1.260 20 0 EDADLP C[C@H](C[NH2+]C1CCC(CS(C)(=O)=O)CC1)C[NH+]1CCOCC1 ZINC000340249197 142319194 /nfs/dbraw/zinc/31/91/94/142319194.db2.gz YZNVNBBYTFPXPY-QQFBHYJXSA-N 2 2 332.510 1.148 20 0 EDADLP C[NH+](C)C1(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCCC1 ZINC000344899529 143025007 /nfs/dbraw/zinc/02/50/07/143025007.db2.gz FUTZSWXKIJKOSI-HNNXBMFYSA-N 2 2 333.480 1.972 20 0 EDADLP Cc1c(C[N@@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)cnn1C ZINC000345029839 143041407 /nfs/dbraw/zinc/04/14/07/143041407.db2.gz KCGULPPMRJENSQ-QAPCUYQASA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[N@H+](C)C[C@H]2CCC[NH+](C)[C@@H]2c2ccnn2C)cnn1C ZINC000345029839 143041408 /nfs/dbraw/zinc/04/14/08/143041408.db2.gz KCGULPPMRJENSQ-QAPCUYQASA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[NH+](C)C[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)cnn1C ZINC000345029839 143041409 /nfs/dbraw/zinc/04/14/09/143041409.db2.gz KCGULPPMRJENSQ-QAPCUYQASA-N 2 2 330.480 1.977 20 0 EDADLP Cc1c(C[NH+](C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)cnn1C ZINC000345029839 143041410 /nfs/dbraw/zinc/04/14/10/143041410.db2.gz KCGULPPMRJENSQ-QAPCUYQASA-N 2 2 330.480 1.977 20 0 EDADLP C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)C[NH+]1CCCC1 ZINC000345087702 143048458 /nfs/dbraw/zinc/04/84/58/143048458.db2.gz BIABZZCQOJYVDA-ZACQAIPSSA-N 2 2 338.496 1.223 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000345711164 143124292 /nfs/dbraw/zinc/12/42/92/143124292.db2.gz KJQKKJXJYXPWPO-KBPBESRZSA-N 2 2 327.375 1.159 20 0 EDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000345769550 143131445 /nfs/dbraw/zinc/13/14/45/143131445.db2.gz NRUIWYMZICVACD-HOTGVXAUSA-N 3 2 336.524 1.534 20 0 EDADLP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000345788486 143133708 /nfs/dbraw/zinc/13/37/08/143133708.db2.gz JBRVIUKPXLCRAL-KBPBESRZSA-N 2 2 327.375 1.159 20 0 EDADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000345915895 143146826 /nfs/dbraw/zinc/14/68/26/143146826.db2.gz IUAKANXVVQULLD-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000345915895 143146827 /nfs/dbraw/zinc/14/68/27/143146827.db2.gz IUAKANXVVQULLD-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000345915895 143146828 /nfs/dbraw/zinc/14/68/28/143146828.db2.gz IUAKANXVVQULLD-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C[C@H]1C ZINC000345915895 143146829 /nfs/dbraw/zinc/14/68/29/143146829.db2.gz IUAKANXVVQULLD-AOIWGVFYSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1)N1CC[NH+](C)CC1 ZINC000346605290 143221348 /nfs/dbraw/zinc/22/13/48/143221348.db2.gz MYJFITQODQNFJO-BEFAXECRSA-N 2 2 343.450 1.931 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)[N@H+](C)C1 ZINC000346698445 143233553 /nfs/dbraw/zinc/23/35/53/143233553.db2.gz LFSBOZKEELWCQH-CVEARBPZSA-N 2 2 342.443 1.972 20 0 EDADLP CO[C@H]1C[C@H](CN(C)C(=O)c2cc(C)ccc2-n2cc[nH+]c2)[N@@H+](C)C1 ZINC000346698445 143233554 /nfs/dbraw/zinc/23/35/54/143233554.db2.gz LFSBOZKEELWCQH-CVEARBPZSA-N 2 2 342.443 1.972 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000346982141 143268288 /nfs/dbraw/zinc/26/82/88/143268288.db2.gz NGWLDTLPODYMFQ-KRWDZBQOSA-N 2 2 328.460 1.393 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000346982141 143268289 /nfs/dbraw/zinc/26/82/89/143268289.db2.gz NGWLDTLPODYMFQ-KRWDZBQOSA-N 2 2 328.460 1.393 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347454990 143323525 /nfs/dbraw/zinc/32/35/25/143323525.db2.gz UEHCGIRTRDHGAG-LNLFQRSKSA-N 2 2 345.487 1.829 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347454990 143323526 /nfs/dbraw/zinc/32/35/26/143323526.db2.gz UEHCGIRTRDHGAG-LNLFQRSKSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347454990 143323527 /nfs/dbraw/zinc/32/35/27/143323527.db2.gz UEHCGIRTRDHGAG-LNLFQRSKSA-N 2 2 345.487 1.829 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347454990 143323528 /nfs/dbraw/zinc/32/35/28/143323528.db2.gz UEHCGIRTRDHGAG-LNLFQRSKSA-N 2 2 345.487 1.829 20 0 EDADLP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CCc3c[nH+]cn3C)CC2)C1 ZINC000347714199 143353191 /nfs/dbraw/zinc/35/31/91/143353191.db2.gz BSNRIYGQUDVPKB-IAGOWNOFSA-N 2 2 347.507 1.085 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCCN(c3cccnn3)CC2)s1 ZINC000347765910 143360297 /nfs/dbraw/zinc/36/02/97/143360297.db2.gz CXWSXZBTZNXMQX-UHFFFAOYSA-N 2 2 332.477 1.707 20 0 EDADLP C[NH+](C)Cc1cnc(C[N@H+]2CCCN(c3cccnn3)CC2)s1 ZINC000347765910 143360298 /nfs/dbraw/zinc/36/02/98/143360298.db2.gz CXWSXZBTZNXMQX-UHFFFAOYSA-N 2 2 332.477 1.707 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000348013176 143391346 /nfs/dbraw/zinc/39/13/46/143391346.db2.gz LHDLYZKCFDCKEV-GUDVDZBRSA-N 2 2 345.487 1.829 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000348013176 143391347 /nfs/dbraw/zinc/39/13/47/143391347.db2.gz LHDLYZKCFDCKEV-GUDVDZBRSA-N 2 2 345.487 1.829 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000348013176 143391348 /nfs/dbraw/zinc/39/13/48/143391348.db2.gz LHDLYZKCFDCKEV-GUDVDZBRSA-N 2 2 345.487 1.829 20 0 EDADLP CC[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000348013176 143391349 /nfs/dbraw/zinc/39/13/49/143391349.db2.gz LHDLYZKCFDCKEV-GUDVDZBRSA-N 2 2 345.487 1.829 20 0 EDADLP COC(=O)CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348089939 143399395 /nfs/dbraw/zinc/39/93/95/143399395.db2.gz SOTUQHKUMOFLTB-KBPBESRZSA-N 2 2 326.416 1.218 20 0 EDADLP COC(=O)CCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000348089939 143399396 /nfs/dbraw/zinc/39/93/96/143399396.db2.gz SOTUQHKUMOFLTB-KBPBESRZSA-N 2 2 326.416 1.218 20 0 EDADLP Cc1cc[nH+]cc1CCC[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000348094529 143399889 /nfs/dbraw/zinc/39/98/89/143399889.db2.gz YDYWAESRVMVDPE-UHFFFAOYSA-N 2 2 339.486 1.952 20 0 EDADLP CCCCCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369765293 155167655 /nfs/dbraw/zinc/16/76/55/155167655.db2.gz FIOITFZTVHDERS-ZWKOTPCHSA-N 2 2 338.540 1.641 20 0 EDADLP CCCCCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369765293 155167660 /nfs/dbraw/zinc/16/76/60/155167660.db2.gz FIOITFZTVHDERS-ZWKOTPCHSA-N 2 2 338.540 1.641 20 0 EDADLP CO[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000369851562 286009033 /nfs/dbraw/zinc/00/90/33/286009033.db2.gz MTIMMXDFWGRXTP-GOEBONIOSA-N 2 2 326.485 1.125 20 0 EDADLP CO[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000369851562 286009035 /nfs/dbraw/zinc/00/90/35/286009035.db2.gz MTIMMXDFWGRXTP-GOEBONIOSA-N 2 2 326.485 1.125 20 0 EDADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416856037 304352172 /nfs/dbraw/zinc/35/21/72/304352172.db2.gz CLMUANHEULWAHW-RHSMWYFYSA-N 2 2 332.448 1.150 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000341910206 286063092 /nfs/dbraw/zinc/06/30/92/286063092.db2.gz KHOUIFDIHSQJRG-ZACQAIPSSA-N 2 2 346.537 1.538 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000341910206 286063093 /nfs/dbraw/zinc/06/30/93/286063093.db2.gz KHOUIFDIHSQJRG-ZACQAIPSSA-N 2 2 346.537 1.538 20 0 EDADLP CC[C@H](C)[C@@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000352843784 149188412 /nfs/dbraw/zinc/18/84/12/149188412.db2.gz QTDKHNFJKVKSAU-WMLDXEAASA-N 2 2 340.512 1.022 20 0 EDADLP CC[C@H](C)[C@@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000352843784 149188415 /nfs/dbraw/zinc/18/84/15/149188415.db2.gz QTDKHNFJKVKSAU-WMLDXEAASA-N 2 2 340.512 1.022 20 0 EDADLP c1cc(N2CC[NH+](C3CCOCC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000353257485 149342677 /nfs/dbraw/zinc/34/26/77/149342677.db2.gz BMBFTTHLGLDXEI-UHFFFAOYSA-N 2 2 331.464 1.768 20 0 EDADLP CCOCC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346914238 286128060 /nfs/dbraw/zinc/12/80/60/286128060.db2.gz FPAPHFJJTAAGBD-BQFCYCMXSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346914238 286128062 /nfs/dbraw/zinc/12/80/62/286128062.db2.gz FPAPHFJJTAAGBD-BQFCYCMXSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346914238 286128063 /nfs/dbraw/zinc/12/80/63/286128063.db2.gz FPAPHFJJTAAGBD-BQFCYCMXSA-N 2 2 338.496 1.522 20 0 EDADLP CCOCC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346914238 286128065 /nfs/dbraw/zinc/12/80/65/286128065.db2.gz FPAPHFJJTAAGBD-BQFCYCMXSA-N 2 2 338.496 1.522 20 0 EDADLP CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](C[NH3+])C3)c[nH+]2)CC1 ZINC000416972864 304358372 /nfs/dbraw/zinc/35/83/72/304358372.db2.gz HPEKXANXWMNLQF-HNNXBMFYSA-N 2 2 331.464 1.808 20 0 EDADLP Cc1ccc(CCC[NH2+]CCN2CCN(C(=O)C3CCC3)CC2)c[nH+]1 ZINC000354345514 149766290 /nfs/dbraw/zinc/76/62/90/149766290.db2.gz CFUHMSZXIGWPKM-UHFFFAOYSA-N 2 2 344.503 1.857 20 0 EDADLP CC(C)S(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369960075 155253279 /nfs/dbraw/zinc/25/32/79/155253279.db2.gz IWEWWYROYIIJAA-PMPSAXMXSA-N 2 2 332.510 1.289 20 0 EDADLP CC(C)S(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369960075 155253283 /nfs/dbraw/zinc/25/32/83/155253283.db2.gz IWEWWYROYIIJAA-PMPSAXMXSA-N 2 2 332.510 1.289 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354899354 150019462 /nfs/dbraw/zinc/01/94/62/150019462.db2.gz LOLRSXKFWQYSEL-YJBOKZPZSA-N 2 2 347.459 1.291 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354899354 150019463 /nfs/dbraw/zinc/01/94/63/150019463.db2.gz LOLRSXKFWQYSEL-YJBOKZPZSA-N 2 2 347.459 1.291 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000354907389 150025341 /nfs/dbraw/zinc/02/53/41/150025341.db2.gz DYBPPKNVLSBBMD-QGZVFWFLSA-N 2 2 346.475 1.540 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000354907389 150025343 /nfs/dbraw/zinc/02/53/43/150025343.db2.gz DYBPPKNVLSBBMD-QGZVFWFLSA-N 2 2 346.475 1.540 20 0 EDADLP C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000416983482 304361524 /nfs/dbraw/zinc/36/15/24/304361524.db2.gz JICXTPFRZJOFPS-MELADBBJSA-N 2 2 335.452 1.089 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000355598056 150330576 /nfs/dbraw/zinc/33/05/76/150330576.db2.gz IYXWBHMRSBEYBW-UHFFFAOYSA-N 2 2 338.371 1.132 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc([C@@H](C)OC)no2)C1 ZINC000355739340 150381373 /nfs/dbraw/zinc/38/13/73/150381373.db2.gz DUIWJGZEQRIDTC-ZIAGYGMSSA-N 2 2 326.441 1.710 20 0 EDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc([C@@H](C)OC)no2)C1 ZINC000355739340 150381376 /nfs/dbraw/zinc/38/13/76/150381376.db2.gz DUIWJGZEQRIDTC-ZIAGYGMSSA-N 2 2 326.441 1.710 20 0 EDADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)n1C ZINC000573700084 306630771 /nfs/dbraw/zinc/63/07/71/306630771.db2.gz WCFFSSDYZHCQMM-CQSZACIVSA-N 2 2 340.435 1.172 20 0 EDADLP CC(C)(CCC[NH3+])NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417048459 304366688 /nfs/dbraw/zinc/36/66/88/304366688.db2.gz ZZUHEDSNFPFRFM-QGZVFWFLSA-N 2 2 348.491 1.877 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)CN1CC[NH+]1CCOCC1 ZINC000356835036 150820607 /nfs/dbraw/zinc/82/06/07/150820607.db2.gz GLJLGXYCSKUDJT-RCCFBDPRSA-N 2 2 335.492 1.478 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000357369524 151009530 /nfs/dbraw/zinc/00/95/30/151009530.db2.gz SOFUEFFCYMVZBE-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000357369524 151009531 /nfs/dbraw/zinc/00/95/31/151009531.db2.gz SOFUEFFCYMVZBE-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000357369524 151009532 /nfs/dbraw/zinc/00/95/32/151009532.db2.gz SOFUEFFCYMVZBE-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000357369524 151009534 /nfs/dbraw/zinc/00/95/34/151009534.db2.gz SOFUEFFCYMVZBE-MRXNPFEDSA-N 2 2 325.497 1.726 20 0 EDADLP CC[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)[C@H](C)O ZINC000357627281 151090866 /nfs/dbraw/zinc/09/08/66/151090866.db2.gz AIUUENHBVZGKQD-HOTGVXAUSA-N 2 2 325.497 1.460 20 0 EDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000357702246 151120007 /nfs/dbraw/zinc/12/00/07/151120007.db2.gz IGKUISQYXGYPCP-MSOLQXFVSA-N 2 2 331.460 1.488 20 0 EDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000357702246 151120008 /nfs/dbraw/zinc/12/00/08/151120008.db2.gz IGKUISQYXGYPCP-MSOLQXFVSA-N 2 2 331.460 1.488 20 0 EDADLP COCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000357702246 151120013 /nfs/dbraw/zinc/12/00/13/151120013.db2.gz IGKUISQYXGYPCP-MSOLQXFVSA-N 2 2 331.460 1.488 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC([N@H+](C)CCO)CC2)c1 ZINC000357720216 151124287 /nfs/dbraw/zinc/12/42/87/151124287.db2.gz FMJGEFOGILKEAB-GOSISDBHSA-N 2 2 336.476 1.432 20 0 EDADLP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC([N@@H+](C)CCO)CC2)c1 ZINC000357720216 151124289 /nfs/dbraw/zinc/12/42/89/151124289.db2.gz FMJGEFOGILKEAB-GOSISDBHSA-N 2 2 336.476 1.432 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@]2(C)CCCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000357811048 151158257 /nfs/dbraw/zinc/15/82/57/151158257.db2.gz DESNGKDJKLTRHQ-GOSISDBHSA-N 3 2 336.524 1.585 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358079277 151262235 /nfs/dbraw/zinc/26/22/35/151262235.db2.gz DMQYYLWKWJWNSP-RHSMWYFYSA-N 2 2 339.505 1.757 20 0 EDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358079277 151262239 /nfs/dbraw/zinc/26/22/39/151262239.db2.gz DMQYYLWKWJWNSP-RHSMWYFYSA-N 2 2 339.505 1.757 20 0 EDADLP c1cc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)CC2)ccn1 ZINC000358327211 151338183 /nfs/dbraw/zinc/33/81/83/151338183.db2.gz IRFLUCUULBENDK-MOPGFXCFSA-N 2 2 331.460 1.974 20 0 EDADLP Cn1cc([C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2CO)cn1 ZINC000358467599 151386747 /nfs/dbraw/zinc/38/67/47/151386747.db2.gz PMTFNVUOPUEJAG-IEBWSBKVSA-N 2 2 337.427 1.814 20 0 EDADLP Cn1cc([C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2CO)cn1 ZINC000358467599 151386750 /nfs/dbraw/zinc/38/67/50/151386750.db2.gz PMTFNVUOPUEJAG-IEBWSBKVSA-N 2 2 337.427 1.814 20 0 EDADLP Cc1ccc([C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)cc1 ZINC000237624125 292253970 /nfs/dbraw/zinc/25/39/70/292253970.db2.gz RZFRBDPZDSETNT-HKUYNNGSSA-N 2 2 331.460 1.484 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000360534841 152084190 /nfs/dbraw/zinc/08/41/90/152084190.db2.gz KTLMDJCFJLOBHI-FZKQIMNGSA-N 2 2 333.432 1.716 20 0 EDADLP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000360534841 152084194 /nfs/dbraw/zinc/08/41/94/152084194.db2.gz KTLMDJCFJLOBHI-FZKQIMNGSA-N 2 2 333.432 1.716 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552693 152092709 /nfs/dbraw/zinc/09/27/09/152092709.db2.gz OTENTJHGIJLRJL-KDOFPFPSSA-N 2 2 330.432 1.086 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360552693 152092715 /nfs/dbraw/zinc/09/27/15/152092715.db2.gz OTENTJHGIJLRJL-KDOFPFPSSA-N 2 2 330.432 1.086 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554362 152093537 /nfs/dbraw/zinc/09/35/37/152093537.db2.gz WDEFYVQPCMNLTN-FZKQIMNGSA-N 2 2 331.416 1.470 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554362 152093540 /nfs/dbraw/zinc/09/35/40/152093540.db2.gz WDEFYVQPCMNLTN-FZKQIMNGSA-N 2 2 331.416 1.470 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360560603 152095721 /nfs/dbraw/zinc/09/57/21/152095721.db2.gz FYUOLJPBSGVEAP-ACJLOTCBSA-N 2 2 337.414 1.697 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360560603 152095724 /nfs/dbraw/zinc/09/57/24/152095724.db2.gz FYUOLJPBSGVEAP-ACJLOTCBSA-N 2 2 337.414 1.697 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360768511 152196301 /nfs/dbraw/zinc/19/63/01/152196301.db2.gz WJHSOBDVHMQRLI-UHFFFAOYSA-N 2 2 345.447 1.640 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2cnc(C3CC3)nc2)CC1 ZINC000360952867 152262603 /nfs/dbraw/zinc/26/26/03/152262603.db2.gz CEAKACQDXVEZLR-UHFFFAOYSA-N 2 2 346.475 1.904 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000360955799 152262932 /nfs/dbraw/zinc/26/29/32/152262932.db2.gz SQYZBSINYCQLHN-ZDUSSCGKSA-N 2 2 326.359 1.307 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCn2nc(C)cc2C)CC1 ZINC000360964347 152264932 /nfs/dbraw/zinc/26/49/32/152264932.db2.gz QIDTUKPEVAKTDZ-UHFFFAOYSA-N 2 2 336.480 1.897 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC000361124778 152312686 /nfs/dbraw/zinc/31/26/86/152312686.db2.gz TXUXTXVPOMIWCK-INIZCTEOSA-N 2 2 339.480 1.252 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CCCC12CC[NH+](C)CC2)[NH+]1CCOCC1 ZINC000361152283 152321529 /nfs/dbraw/zinc/32/15/29/152321529.db2.gz BMOQUSPXDCBGAG-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(N2CCCC2=O)c1 ZINC000361344125 152366488 /nfs/dbraw/zinc/36/64/88/152366488.db2.gz BZHDPLUNPIJIPC-MAUKXSAKSA-N 2 2 330.476 1.710 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(N2CCCC2=O)c1 ZINC000361344125 152366491 /nfs/dbraw/zinc/36/64/91/152366491.db2.gz BZHDPLUNPIJIPC-MAUKXSAKSA-N 2 2 330.476 1.710 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)CC1 ZINC000363870744 153081188 /nfs/dbraw/zinc/08/11/88/153081188.db2.gz XIGHKOVZZFCSGA-KRWDZBQOSA-N 2 2 346.475 1.397 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363892606 153088623 /nfs/dbraw/zinc/08/86/23/153088623.db2.gz CHKNKOBDCNSOHH-AWEZNQCLSA-N 3 2 331.464 1.046 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363892606 153088627 /nfs/dbraw/zinc/08/86/27/153088627.db2.gz CHKNKOBDCNSOHH-AWEZNQCLSA-N 3 2 331.464 1.046 20 0 EDADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363892606 153088630 /nfs/dbraw/zinc/08/86/30/153088630.db2.gz CHKNKOBDCNSOHH-AWEZNQCLSA-N 2 2 331.464 1.046 20 0 EDADLP Cc1nccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000364292889 153198283 /nfs/dbraw/zinc/19/82/83/153198283.db2.gz QTYYBGKEKZUWOY-KRWDZBQOSA-N 2 2 346.479 1.095 20 0 EDADLP Cc1nccc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000364292889 153198285 /nfs/dbraw/zinc/19/82/85/153198285.db2.gz QTYYBGKEKZUWOY-KRWDZBQOSA-N 2 2 346.479 1.095 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364558941 153270149 /nfs/dbraw/zinc/27/01/49/153270149.db2.gz OTLIPLHDIPDIIA-ROUUACIJSA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364558941 153270151 /nfs/dbraw/zinc/27/01/51/153270151.db2.gz OTLIPLHDIPDIIA-ROUUACIJSA-N 2 2 336.524 1.345 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000364662102 153297355 /nfs/dbraw/zinc/29/73/55/153297355.db2.gz KFTBQEZKRCWMIZ-PMPSAXMXSA-N 2 2 333.480 1.816 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000364662102 153297357 /nfs/dbraw/zinc/29/73/57/153297357.db2.gz KFTBQEZKRCWMIZ-PMPSAXMXSA-N 2 2 333.480 1.816 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000364817242 153341919 /nfs/dbraw/zinc/34/19/19/153341919.db2.gz IOLBQZURITZXPU-IBGZPJMESA-N 2 2 343.471 1.875 20 0 EDADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000364817242 153341921 /nfs/dbraw/zinc/34/19/21/153341921.db2.gz IOLBQZURITZXPU-IBGZPJMESA-N 2 2 343.471 1.875 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1CC ZINC000364915380 153369132 /nfs/dbraw/zinc/36/91/32/153369132.db2.gz LBAJWPXVUAYNAD-JKSUJKDBSA-N 2 2 334.464 1.405 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1CC ZINC000364915380 153369137 /nfs/dbraw/zinc/36/91/37/153369137.db2.gz LBAJWPXVUAYNAD-JKSUJKDBSA-N 2 2 334.464 1.405 20 0 EDADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000271444489 286372659 /nfs/dbraw/zinc/37/26/59/286372659.db2.gz SOALNHXDYNOVAJ-ROUUACIJSA-N 2 2 347.459 1.279 20 0 EDADLP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000271444489 286372661 /nfs/dbraw/zinc/37/26/61/286372661.db2.gz SOALNHXDYNOVAJ-ROUUACIJSA-N 2 2 347.459 1.279 20 0 EDADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000366278312 153768632 /nfs/dbraw/zinc/76/86/32/153768632.db2.gz AXWKSHGRDYTNIO-IBGZPJMESA-N 2 2 343.471 1.551 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000341130617 297126259 /nfs/dbraw/zinc/12/62/59/297126259.db2.gz WLGUQGOVYZNUEL-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000341130617 297126260 /nfs/dbraw/zinc/12/62/60/297126260.db2.gz WLGUQGOVYZNUEL-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000341130617 297126263 /nfs/dbraw/zinc/12/62/63/297126263.db2.gz WLGUQGOVYZNUEL-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000341130617 297126266 /nfs/dbraw/zinc/12/62/66/297126266.db2.gz WLGUQGOVYZNUEL-HZPDHXFCSA-N 2 2 326.485 1.223 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367600338 154195265 /nfs/dbraw/zinc/19/52/65/154195265.db2.gz BTFXPYFKXNMMHE-SJPCQFCGSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)CCOCCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367600338 154195266 /nfs/dbraw/zinc/19/52/66/154195266.db2.gz BTFXPYFKXNMMHE-SJPCQFCGSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367600338 154195270 /nfs/dbraw/zinc/19/52/70/154195270.db2.gz BTFXPYFKXNMMHE-SJPCQFCGSA-N 2 2 325.497 1.722 20 0 EDADLP CC(C)CCOCCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367600338 154195273 /nfs/dbraw/zinc/19/52/73/154195273.db2.gz BTFXPYFKXNMMHE-SJPCQFCGSA-N 2 2 325.497 1.722 20 0 EDADLP COC(=O)[C@H](c1cccnc1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000367654999 154216409 /nfs/dbraw/zinc/21/64/09/154216409.db2.gz BFXIQOJLCJRBQK-KRWDZBQOSA-N 2 2 347.459 1.730 20 0 EDADLP C[N@@H+](Cc1nnn(CC(F)(F)F)n1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367720825 154243838 /nfs/dbraw/zinc/24/38/38/154243838.db2.gz NALXDJGYCFQGQE-JTQLQIEISA-N 2 2 329.330 1.126 20 0 EDADLP C[N@H+](Cc1nnn(CC(F)(F)F)n1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367720825 154243839 /nfs/dbraw/zinc/24/38/39/154243839.db2.gz NALXDJGYCFQGQE-JTQLQIEISA-N 2 2 329.330 1.126 20 0 EDADLP COc1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc(OC)c1O ZINC000368023237 154372145 /nfs/dbraw/zinc/37/21/45/154372145.db2.gz RAGYGJGFOMJBAN-INIZCTEOSA-N 2 2 349.475 1.621 20 0 EDADLP COc1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc(OC)c1O ZINC000368023237 154372149 /nfs/dbraw/zinc/37/21/49/154372149.db2.gz RAGYGJGFOMJBAN-INIZCTEOSA-N 2 2 349.475 1.621 20 0 EDADLP Cc1cc(N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)nc(C2CC2)[nH+]1 ZINC000369370529 155001221 /nfs/dbraw/zinc/00/12/21/155001221.db2.gz PPQCWOMKVSGXNF-INIZCTEOSA-N 2 2 331.464 1.115 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000369413373 155019001 /nfs/dbraw/zinc/01/90/01/155019001.db2.gz VYMZZHFKZRZWFB-OAHLLOKOSA-N 2 2 345.447 1.930 20 0 EDADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000369413373 155019003 /nfs/dbraw/zinc/01/90/03/155019003.db2.gz VYMZZHFKZRZWFB-OAHLLOKOSA-N 2 2 345.447 1.930 20 0 EDADLP COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(C)n1 ZINC000369501047 155061550 /nfs/dbraw/zinc/06/15/50/155061550.db2.gz ALYOZQYJZVFPGG-HNNXBMFYSA-N 2 2 332.448 1.297 20 0 EDADLP COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(C)n1 ZINC000369501047 155061556 /nfs/dbraw/zinc/06/15/56/155061556.db2.gz ALYOZQYJZVFPGG-HNNXBMFYSA-N 2 2 332.448 1.297 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c(C)c[nH+]1 ZINC000369616294 155111238 /nfs/dbraw/zinc/11/12/38/155111238.db2.gz QRZXQJNLOVQOCN-HNNXBMFYSA-N 2 2 332.448 1.837 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c(C)c[nH+]1 ZINC000369616294 155111241 /nfs/dbraw/zinc/11/12/41/155111241.db2.gz QRZXQJNLOVQOCN-HNNXBMFYSA-N 2 2 332.448 1.837 20 0 EDADLP COc1ccc(O)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371976241 156192970 /nfs/dbraw/zinc/19/29/70/156192970.db2.gz ZAHMXBPUDCMNGS-OAHLLOKOSA-N 2 2 347.459 1.641 20 0 EDADLP COc1ccc(O)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371976241 156192973 /nfs/dbraw/zinc/19/29/73/156192973.db2.gz ZAHMXBPUDCMNGS-OAHLLOKOSA-N 2 2 347.459 1.641 20 0 EDADLP CCN1CCO[C@H](C[NH+]2CCN(CC[NH+]3CCC(C)CC3)CC2)C1 ZINC000372043086 156224021 /nfs/dbraw/zinc/22/40/21/156224021.db2.gz STVQOQNMNLCISM-IBGZPJMESA-N 2 2 338.540 1.057 20 0 EDADLP CCC[NH+]1CCC(N2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)CC1 ZINC000372399507 156370334 /nfs/dbraw/zinc/37/03/34/156370334.db2.gz MVQOYBKWHDDUBN-UHFFFAOYSA-N 2 2 346.523 1.535 20 0 EDADLP CCC[NH+]1CCC([NH+]2CCN(Cc3cnc(N(C)C)nc3)CC2)CC1 ZINC000372399507 156370338 /nfs/dbraw/zinc/37/03/38/156370338.db2.gz MVQOYBKWHDDUBN-UHFFFAOYSA-N 2 2 346.523 1.535 20 0 EDADLP C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000417531088 304403695 /nfs/dbraw/zinc/40/36/95/304403695.db2.gz YXHJCHOGGMYCCV-HZPDHXFCSA-N 2 2 340.512 1.707 20 0 EDADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cc2)[nH]1 ZINC000373880329 157045346 /nfs/dbraw/zinc/04/53/46/157045346.db2.gz GGRUKQMUGKHDEV-INIZCTEOSA-N 2 2 348.410 1.583 20 0 EDADLP Cc1cnn(CCNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000374257054 157215513 /nfs/dbraw/zinc/21/55/13/157215513.db2.gz PXFGSEJXGSJSCL-MRXNPFEDSA-N 2 2 348.495 1.001 20 0 EDADLP Cc1cnn(CCNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000374257054 157215517 /nfs/dbraw/zinc/21/55/17/157215517.db2.gz PXFGSEJXGSJSCL-MRXNPFEDSA-N 2 2 348.495 1.001 20 0 EDADLP COc1cccc(C2=CC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000374467346 157300524 /nfs/dbraw/zinc/30/05/24/157300524.db2.gz BDABEACFSGICHN-UHFFFAOYSA-N 2 2 329.444 1.558 20 0 EDADLP COc1cccc(C2=CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000374467346 157300525 /nfs/dbraw/zinc/30/05/25/157300525.db2.gz BDABEACFSGICHN-UHFFFAOYSA-N 2 2 329.444 1.558 20 0 EDADLP COc1nccnc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000575314144 306668118 /nfs/dbraw/zinc/66/81/18/306668118.db2.gz RRSGFXSJACNYJP-HNNXBMFYSA-N 2 2 347.488 1.625 20 0 EDADLP CC(C)Cn1cc(C[N@@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cn1 ZINC000374716181 157376072 /nfs/dbraw/zinc/37/60/72/157376072.db2.gz KXKUUYXZPVHWME-HKUYNNGSSA-N 2 2 349.523 1.376 20 0 EDADLP CC(C)Cn1cc(C[N@H+]2CCN(C[C@@H]3C[NH+](C)CCO3)C[C@@H]2C)cn1 ZINC000374716181 157376074 /nfs/dbraw/zinc/37/60/74/157376074.db2.gz KXKUUYXZPVHWME-HKUYNNGSSA-N 2 2 349.523 1.376 20 0 EDADLP CC(C)Cn1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)cn1 ZINC000374716181 157376075 /nfs/dbraw/zinc/37/60/75/157376075.db2.gz KXKUUYXZPVHWME-HKUYNNGSSA-N 2 2 349.523 1.376 20 0 EDADLP CC(C)Cn1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C)cn1 ZINC000374716181 157376077 /nfs/dbraw/zinc/37/60/77/157376077.db2.gz KXKUUYXZPVHWME-HKUYNNGSSA-N 2 2 349.523 1.376 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)C1CCCCC1 ZINC000374741615 157384682 /nfs/dbraw/zinc/38/46/82/157384682.db2.gz CCOKEJPNJBZEEX-SJLPKXTDSA-N 2 2 337.508 1.868 20 0 EDADLP C[N@H+](CC[C@@H]1CCOC1=O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374750133 157387191 /nfs/dbraw/zinc/38/71/91/157387191.db2.gz LWBLANPIPYUASP-QGZVFWFLSA-N 2 2 331.460 1.974 20 0 EDADLP C[N@@H+](CC[C@@H]1CCOC1=O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374750133 157387194 /nfs/dbraw/zinc/38/71/94/157387194.db2.gz LWBLANPIPYUASP-QGZVFWFLSA-N 2 2 331.460 1.974 20 0 EDADLP Cc1cnn([C@H]2CCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)c1 ZINC000378114441 158081767 /nfs/dbraw/zinc/08/17/67/158081767.db2.gz ZKLJZQVNHNZWDH-KRWDZBQOSA-N 2 2 348.495 1.174 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000378494044 158191317 /nfs/dbraw/zinc/19/13/17/158191317.db2.gz KAIFGSVACVLMOR-RDJZCZTQSA-N 2 2 335.496 1.872 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000378494044 158191319 /nfs/dbraw/zinc/19/13/19/158191319.db2.gz KAIFGSVACVLMOR-RDJZCZTQSA-N 2 2 335.496 1.872 20 0 EDADLP CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000378537025 158203818 /nfs/dbraw/zinc/20/38/18/158203818.db2.gz ITOAEWNCSPFGPS-CYBMUJFWSA-N 2 2 331.424 1.627 20 0 EDADLP CN(c1ccccc1C[NH+]1CC(n2ccnn2)C1)C1CC[NH+](C)CC1 ZINC000378551412 158206527 /nfs/dbraw/zinc/20/65/27/158206527.db2.gz QLCWRHBGKBTLQZ-UHFFFAOYSA-N 2 2 340.475 1.865 20 0 EDADLP Cc1nnc([C@@H](C)[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000408122474 158272338 /nfs/dbraw/zinc/27/23/38/158272338.db2.gz XLMOVSFMCLYWSR-CYBMUJFWSA-N 2 2 335.452 1.315 20 0 EDADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)cn2)n1 ZINC000576099513 306678031 /nfs/dbraw/zinc/67/80/31/306678031.db2.gz XOEGTQVIUNPZGV-SUMWQHHRSA-N 2 2 329.448 1.741 20 0 EDADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000352219251 162056582 /nfs/dbraw/zinc/05/65/82/162056582.db2.gz PBKDNWXQEISYCR-GOSISDBHSA-N 2 2 337.508 1.964 20 0 EDADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000352219251 162056587 /nfs/dbraw/zinc/05/65/87/162056587.db2.gz PBKDNWXQEISYCR-GOSISDBHSA-N 2 2 337.508 1.964 20 0 EDADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352412101 162170187 /nfs/dbraw/zinc/17/01/87/162170187.db2.gz BSLCTELTKXXOSG-RTBURBONSA-N 2 2 344.503 1.703 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)CC2)c1 ZINC000352462938 162194908 /nfs/dbraw/zinc/19/49/08/162194908.db2.gz VNFKXKYFUDNWFN-UHFFFAOYSA-N 2 2 348.410 1.933 20 0 EDADLP COc1ccc(-c2cnc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000352502912 162216086 /nfs/dbraw/zinc/21/60/86/162216086.db2.gz ACAXOEJXJUPERP-MRXNPFEDSA-N 2 2 342.443 1.830 20 0 EDADLP COc1ccc(-c2nc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)co2)cc1 ZINC000352504299 162216898 /nfs/dbraw/zinc/21/68/98/162216898.db2.gz OXLRZPBEKFYFDJ-KRWDZBQOSA-N 2 2 342.443 1.830 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000352504298 162217838 /nfs/dbraw/zinc/21/78/38/162217838.db2.gz OXLPXYGBLMFDFW-QGZVFWFLSA-N 2 2 344.459 1.721 20 0 EDADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000352504298 162217843 /nfs/dbraw/zinc/21/78/43/162217843.db2.gz OXLPXYGBLMFDFW-QGZVFWFLSA-N 2 2 344.459 1.721 20 0 EDADLP c1nc(-c2ccncc2)sc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352535303 162237618 /nfs/dbraw/zinc/23/76/18/162237618.db2.gz OVGYRTBZUJALBQ-OAHLLOKOSA-N 2 2 329.473 1.685 20 0 EDADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000268702097 287245559 /nfs/dbraw/zinc/24/55/59/287245559.db2.gz FZDGTUSBFPPEQB-JQHSSLGASA-N 2 2 333.476 1.905 20 0 EDADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000268702097 287245561 /nfs/dbraw/zinc/24/55/61/287245561.db2.gz FZDGTUSBFPPEQB-JQHSSLGASA-N 2 2 333.476 1.905 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000073667671 287262698 /nfs/dbraw/zinc/26/26/98/287262698.db2.gz BQKDRHNRBMMPKA-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000073667671 287262699 /nfs/dbraw/zinc/26/26/99/287262699.db2.gz BQKDRHNRBMMPKA-JKSUJKDBSA-N 2 2 326.485 1.223 20 0 EDADLP Cc1cccc(NC(=O)CN2CC[NH+](CCn3cc[nH+]c3)CC2)c1C ZINC000077119909 287286974 /nfs/dbraw/zinc/28/69/74/287286974.db2.gz MHIBUXAKZNSDTO-UHFFFAOYSA-N 2 2 341.459 1.756 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000081096925 287311271 /nfs/dbraw/zinc/31/12/71/287311271.db2.gz SMXUNHDCKITVHC-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000081096925 287311272 /nfs/dbraw/zinc/31/12/72/287311272.db2.gz SMXUNHDCKITVHC-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000081096925 287311274 /nfs/dbraw/zinc/31/12/74/287311274.db2.gz SMXUNHDCKITVHC-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000081096925 287311275 /nfs/dbraw/zinc/31/12/75/287311275.db2.gz SMXUNHDCKITVHC-MNOVXSKESA-N 2 2 338.374 1.037 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333742161 287314925 /nfs/dbraw/zinc/31/49/25/287314925.db2.gz XTLGUZOOPGWZBT-IIDMSEBBSA-N 2 2 336.480 1.466 20 0 EDADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333742161 287314928 /nfs/dbraw/zinc/31/49/28/287314928.db2.gz XTLGUZOOPGWZBT-IIDMSEBBSA-N 2 2 336.480 1.466 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000111858526 287338923 /nfs/dbraw/zinc/33/89/23/287338923.db2.gz KMMGFRJXCKVVHH-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000111858526 287338926 /nfs/dbraw/zinc/33/89/26/287338926.db2.gz KMMGFRJXCKVVHH-ARFHVFGLSA-N 2 2 326.485 1.269 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000158630310 225057440 /nfs/dbraw/zinc/05/74/40/225057440.db2.gz HROYVWSCFQFPDE-ZFWWWQNUSA-N 2 2 336.505 1.690 20 0 EDADLP CN(C)C(=O)Cc1nc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cs1 ZINC000158630310 225057442 /nfs/dbraw/zinc/05/74/42/225057442.db2.gz HROYVWSCFQFPDE-ZFWWWQNUSA-N 2 2 336.505 1.690 20 0 EDADLP CN(C)C(=O)Cc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cs1 ZINC000158630310 225057443 /nfs/dbraw/zinc/05/74/43/225057443.db2.gz HROYVWSCFQFPDE-ZFWWWQNUSA-N 2 2 336.505 1.690 20 0 EDADLP CN(C)C(=O)Cc1nc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cs1 ZINC000158630310 225057445 /nfs/dbraw/zinc/05/74/45/225057445.db2.gz HROYVWSCFQFPDE-ZFWWWQNUSA-N 2 2 336.505 1.690 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159159836 225160221 /nfs/dbraw/zinc/16/02/21/225160221.db2.gz NRMMABPMCDDBRP-JFIYKMOQSA-N 3 2 331.508 1.652 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159159836 225160227 /nfs/dbraw/zinc/16/02/27/225160227.db2.gz NRMMABPMCDDBRP-JFIYKMOQSA-N 3 2 331.508 1.652 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123649646 222311435 /nfs/dbraw/zinc/31/14/35/222311435.db2.gz FNDVZVIGSIFQCJ-MAUKXSAKSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000123649646 222311437 /nfs/dbraw/zinc/31/14/37/222311437.db2.gz FNDVZVIGSIFQCJ-MAUKXSAKSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123649646 222311440 /nfs/dbraw/zinc/31/14/40/222311440.db2.gz FNDVZVIGSIFQCJ-MAUKXSAKSA-N 2 2 333.476 1.864 20 0 EDADLP COCc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123649646 222311443 /nfs/dbraw/zinc/31/14/43/222311443.db2.gz FNDVZVIGSIFQCJ-MAUKXSAKSA-N 2 2 333.476 1.864 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418439155 304495712 /nfs/dbraw/zinc/49/57/12/304495712.db2.gz YBKVQOFTOBADIY-WBVHZDCISA-N 2 2 331.464 1.426 20 0 EDADLP COCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000223005738 273006494 /nfs/dbraw/zinc/00/64/94/273006494.db2.gz ZRKNUWNUIDWPTC-LSDHHAIUSA-N 2 2 329.485 1.990 20 0 EDADLP COCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000223005738 273006496 /nfs/dbraw/zinc/00/64/96/273006496.db2.gz ZRKNUWNUIDWPTC-LSDHHAIUSA-N 2 2 329.485 1.990 20 0 EDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000179449546 267621082 /nfs/dbraw/zinc/62/10/82/267621082.db2.gz IEILLNGQKRQYSF-UHFFFAOYSA-N 2 2 327.432 1.825 20 0 EDADLP C[NH+](C)C1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000273298374 268018384 /nfs/dbraw/zinc/01/83/84/268018384.db2.gz AQKVHHZUHLFDDT-UHFFFAOYSA-N 2 2 329.404 1.740 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1=CC[N@H+](C)CC1 ZINC000273045297 273025607 /nfs/dbraw/zinc/02/56/07/273025607.db2.gz WQZIHCLLBNGJTP-INIZCTEOSA-N 2 2 343.475 1.559 20 0 EDADLP O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000274177240 273074758 /nfs/dbraw/zinc/07/47/58/273074758.db2.gz IJLBVGHZXWSKAL-OAHLLOKOSA-N 2 2 326.404 1.303 20 0 EDADLP O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000274177240 273074759 /nfs/dbraw/zinc/07/47/59/273074759.db2.gz IJLBVGHZXWSKAL-OAHLLOKOSA-N 2 2 326.404 1.303 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000274198081 273077053 /nfs/dbraw/zinc/07/70/53/273077053.db2.gz PULCMGSVUVEOSA-ZBFHGGJFSA-N 2 2 327.432 1.740 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000274198081 273077054 /nfs/dbraw/zinc/07/70/54/273077054.db2.gz PULCMGSVUVEOSA-ZBFHGGJFSA-N 2 2 327.432 1.740 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](CO)c3cnn(C)c3)c2cc1C ZINC000275242885 273109367 /nfs/dbraw/zinc/10/93/67/273109367.db2.gz XIOBBTIPVXYQFU-NVXWUHKLSA-N 2 2 343.431 1.071 20 0 EDADLP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000277811168 273227678 /nfs/dbraw/zinc/22/76/78/273227678.db2.gz OFBMZJMCWKJVFF-QGZVFWFLSA-N 2 2 343.475 1.930 20 0 EDADLP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000277811168 273227679 /nfs/dbraw/zinc/22/76/79/273227679.db2.gz OFBMZJMCWKJVFF-QGZVFWFLSA-N 2 2 343.475 1.930 20 0 EDADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278917724 273271471 /nfs/dbraw/zinc/27/14/71/273271471.db2.gz RDLWONSEOCKKOW-ZDUSSCGKSA-N 2 2 348.447 1.077 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000279358393 273294861 /nfs/dbraw/zinc/29/48/61/273294861.db2.gz DBXPATZTKOYPFU-CQSZACIVSA-N 2 2 331.420 1.196 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccnc(F)c3F)CC2)CC1 ZINC000279539433 273305155 /nfs/dbraw/zinc/30/51/55/273305155.db2.gz NFCHTWRQZDHEIE-UHFFFAOYSA-N 2 2 338.402 1.648 20 0 EDADLP C[N@H+](CCCCCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000279728163 273320498 /nfs/dbraw/zinc/32/04/98/273320498.db2.gz MVCVOIYPGFDGRS-UHFFFAOYSA-N 2 2 349.475 1.552 20 0 EDADLP C[N@@H+](CCCCCO)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000279728163 273320500 /nfs/dbraw/zinc/32/05/00/273320500.db2.gz MVCVOIYPGFDGRS-UHFFFAOYSA-N 2 2 349.475 1.552 20 0 EDADLP c1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n(-c2ccccc2)n1 ZINC000281908130 273550874 /nfs/dbraw/zinc/55/08/74/273550874.db2.gz GIONFADRNYCWEV-UHFFFAOYSA-N 2 2 341.459 1.812 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000284076276 274071932 /nfs/dbraw/zinc/07/19/32/274071932.db2.gz UZERDHSWTDMQAC-HNNXBMFYSA-N 2 2 337.468 1.016 20 0 EDADLP OCCO[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284131419 274090838 /nfs/dbraw/zinc/09/08/38/274090838.db2.gz OFKXSGPYTFQMES-PMACEKPBSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284131419 274090841 /nfs/dbraw/zinc/09/08/41/274090841.db2.gz OFKXSGPYTFQMES-PMACEKPBSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284131419 274090843 /nfs/dbraw/zinc/09/08/43/274090843.db2.gz OFKXSGPYTFQMES-PMACEKPBSA-N 2 2 348.487 1.751 20 0 EDADLP OCCO[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284131419 274090844 /nfs/dbraw/zinc/09/08/44/274090844.db2.gz OFKXSGPYTFQMES-PMACEKPBSA-N 2 2 348.487 1.751 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000284478160 274216864 /nfs/dbraw/zinc/21/68/64/274216864.db2.gz IWCQWEJQKRTWIE-MLGOLLRUSA-N 2 2 328.372 1.258 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000284643852 274276652 /nfs/dbraw/zinc/27/66/52/274276652.db2.gz USKPFEMZIBDMLR-ZIFCJYIRSA-N 2 2 345.487 1.591 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284643852 274276653 /nfs/dbraw/zinc/27/66/53/274276653.db2.gz USKPFEMZIBDMLR-ZIFCJYIRSA-N 2 2 345.487 1.591 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655929961 452697187 /nfs/dbraw/zinc/69/71/87/452697187.db2.gz YOGUOYIEOOGPQC-LLVKDONJSA-N 2 2 335.374 1.757 20 0 EDADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](N3CCOCC3)C(F)(F)F)n2c1 ZINC000285359701 274519547 /nfs/dbraw/zinc/51/95/47/274519547.db2.gz BITSTWUZDNHYTK-CQSZACIVSA-N 2 2 342.365 1.995 20 0 EDADLP c1cn(-c2ccccc2)nc1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422859845 275072450 /nfs/dbraw/zinc/07/24/50/275072450.db2.gz KYWNZOJBAYTAQO-RTBURBONSA-N 2 2 326.444 1.771 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3n[nH]c4c3CCCCC4)C2)CC1 ZINC000370061827 277027979 /nfs/dbraw/zinc/02/79/79/277027979.db2.gz VYZOQUGXBZANBD-CQSZACIVSA-N 2 2 345.491 1.577 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3n[nH]c4c3CCCCC4)C2)CC1 ZINC000370061827 277027980 /nfs/dbraw/zinc/02/79/80/277027980.db2.gz VYZOQUGXBZANBD-CQSZACIVSA-N 2 2 345.491 1.577 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)cn1 ZINC000354872319 277896271 /nfs/dbraw/zinc/89/62/71/277896271.db2.gz QCVYLYBNNSYIIB-CABCVRRESA-N 2 2 333.411 1.526 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)C2 ZINC000372402023 278073545 /nfs/dbraw/zinc/07/35/45/278073545.db2.gz UASDHTPBEHLOAF-SOUVJXGZSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)C2 ZINC000372402023 278073546 /nfs/dbraw/zinc/07/35/46/278073546.db2.gz UASDHTPBEHLOAF-SOUVJXGZSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)CC2 ZINC000372402023 278073548 /nfs/dbraw/zinc/07/35/48/278073548.db2.gz UASDHTPBEHLOAF-SOUVJXGZSA-N 2 2 348.491 1.552 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)CC2 ZINC000372402023 278073550 /nfs/dbraw/zinc/07/35/50/278073550.db2.gz UASDHTPBEHLOAF-SOUVJXGZSA-N 2 2 348.491 1.552 20 0 EDADLP CSC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000369234712 278134437 /nfs/dbraw/zinc/13/44/37/278134437.db2.gz FDJAIOFPJYBLPC-CWRNSKLLSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000369234712 278134439 /nfs/dbraw/zinc/13/44/39/278134439.db2.gz FDJAIOFPJYBLPC-CWRNSKLLSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000369234712 278134440 /nfs/dbraw/zinc/13/44/40/278134440.db2.gz FDJAIOFPJYBLPC-CWRNSKLLSA-N 2 2 326.510 1.459 20 0 EDADLP CSC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000369234712 278134442 /nfs/dbraw/zinc/13/44/42/278134442.db2.gz FDJAIOFPJYBLPC-CWRNSKLLSA-N 2 2 326.510 1.459 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333596331 278193776 /nfs/dbraw/zinc/19/37/76/278193776.db2.gz BNDFFKKVFQKXIM-BRWVUGGUSA-N 2 2 338.496 1.271 20 0 EDADLP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000345081232 279157915 /nfs/dbraw/zinc/15/79/15/279157915.db2.gz NGEFOPVYENNKJM-OAGGEKHMSA-N 2 2 326.485 1.221 20 0 EDADLP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000370619926 279198282 /nfs/dbraw/zinc/19/82/82/279198282.db2.gz IBBJILPPBBHRPP-RDJZCZTQSA-N 3 2 348.539 1.443 20 0 EDADLP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000370619926 279198284 /nfs/dbraw/zinc/19/82/84/279198284.db2.gz IBBJILPPBBHRPP-RDJZCZTQSA-N 3 2 348.539 1.443 20 0 EDADLP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000370619926 279198287 /nfs/dbraw/zinc/19/82/87/279198287.db2.gz IBBJILPPBBHRPP-RDJZCZTQSA-N 3 2 348.539 1.443 20 0 EDADLP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000370619926 279198289 /nfs/dbraw/zinc/19/82/89/279198289.db2.gz IBBJILPPBBHRPP-RDJZCZTQSA-N 3 2 348.539 1.443 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@](C)(O)C(C)=O)[C@@H]1c1cnn(C)c1 ZINC000450789165 279292212 /nfs/dbraw/zinc/29/22/12/279292212.db2.gz ITLMTZILIRSGEI-CGTJXYLNSA-N 2 2 336.480 1.465 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@](C)(O)C(C)=O)[C@@H]1c1cnn(C)c1 ZINC000450789165 279292213 /nfs/dbraw/zinc/29/22/13/279292213.db2.gz ITLMTZILIRSGEI-CGTJXYLNSA-N 2 2 336.480 1.465 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@](C)(O)C(C)=O)[C@@H]1c1cnn(C)c1 ZINC000450789165 279292214 /nfs/dbraw/zinc/29/22/14/279292214.db2.gz ITLMTZILIRSGEI-CGTJXYLNSA-N 2 2 336.480 1.465 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@](C)(O)C(C)=O)[C@@H]1c1cnn(C)c1 ZINC000450789165 279292215 /nfs/dbraw/zinc/29/22/15/279292215.db2.gz ITLMTZILIRSGEI-CGTJXYLNSA-N 2 2 336.480 1.465 20 0 EDADLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422893476 279364091 /nfs/dbraw/zinc/36/40/91/279364091.db2.gz QSJBKRYXDYCWAV-MSOLQXFVSA-N 3 2 330.520 1.912 20 0 EDADLP C[C@@H](CNC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000287013682 288137881 /nfs/dbraw/zinc/13/78/81/288137881.db2.gz FZPOCSNIVWQFQC-INIZCTEOSA-N 2 2 346.475 1.233 20 0 EDADLP C[C@@H](CNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000287013682 288137883 /nfs/dbraw/zinc/13/78/83/288137883.db2.gz FZPOCSNIVWQFQC-INIZCTEOSA-N 2 2 346.475 1.233 20 0 EDADLP OC[C@@H]1CCCN1c1cc(N2CC[NH+]([C@H]3CCSC3)CC2)nc[nH+]1 ZINC000373060966 280411863 /nfs/dbraw/zinc/41/18/63/280411863.db2.gz YEVMFKNQAYTGHW-GJZGRUSLSA-N 2 2 349.504 1.065 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000287610937 288276726 /nfs/dbraw/zinc/27/67/26/288276726.db2.gz ZJFRSFMEBFQJHS-HZPDHXFCSA-N 2 2 347.463 1.388 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000287833311 288334339 /nfs/dbraw/zinc/33/43/39/288334339.db2.gz CFMYMCBADSYRAB-KRWDZBQOSA-N 2 2 342.443 1.750 20 0 EDADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000287833311 288334342 /nfs/dbraw/zinc/33/43/42/288334342.db2.gz CFMYMCBADSYRAB-KRWDZBQOSA-N 2 2 342.443 1.750 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288028482 288384799 /nfs/dbraw/zinc/38/47/99/288384799.db2.gz IASFRFCVTWUTNQ-QWHCGFSZSA-N 2 2 332.404 1.114 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC[C@@H]2CCc3[nH+]ccn3C2)[nH+]cn1 ZINC000288064474 288394734 /nfs/dbraw/zinc/39/47/34/288394734.db2.gz ADEWAXKDFGYCKB-UONOGXRCSA-N 2 2 328.420 1.309 20 0 EDADLP OC[C@H]1CCCN1c1cc(NC[C@@H]2CCc3[nH+]ccn3C2)nc[nH+]1 ZINC000288064474 288394735 /nfs/dbraw/zinc/39/47/35/288394735.db2.gz ADEWAXKDFGYCKB-UONOGXRCSA-N 2 2 328.420 1.309 20 0 EDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc([C@@H](C)O)s2)nc[nH+]1 ZINC000290563121 288917045 /nfs/dbraw/zinc/91/70/45/288917045.db2.gz ZVGZYENQAQEPNK-VXGBXAGGSA-N 2 2 348.476 1.787 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000291621878 289128764 /nfs/dbraw/zinc/12/87/64/289128764.db2.gz RRTCNYJHAWGJPQ-KBPBESRZSA-N 2 2 343.410 1.394 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292055607 289250653 /nfs/dbraw/zinc/25/06/53/289250653.db2.gz CATOAQNOPSCRMO-HXUWFJFHSA-N 2 2 344.503 1.657 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292055607 289250656 /nfs/dbraw/zinc/25/06/56/289250656.db2.gz CATOAQNOPSCRMO-HXUWFJFHSA-N 2 2 344.503 1.657 20 0 EDADLP CN(CCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292055607 289250659 /nfs/dbraw/zinc/25/06/59/289250659.db2.gz CATOAQNOPSCRMO-HXUWFJFHSA-N 2 2 344.503 1.657 20 0 EDADLP CN(CCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292055607 289250662 /nfs/dbraw/zinc/25/06/62/289250662.db2.gz CATOAQNOPSCRMO-HXUWFJFHSA-N 2 2 344.503 1.657 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292070844 289254476 /nfs/dbraw/zinc/25/44/76/289254476.db2.gz DOTVBHXBGOGKLC-FXAWDEMLSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292070844 289254478 /nfs/dbraw/zinc/25/44/78/289254478.db2.gz DOTVBHXBGOGKLC-FXAWDEMLSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292070844 289254479 /nfs/dbraw/zinc/25/44/79/289254479.db2.gz DOTVBHXBGOGKLC-FXAWDEMLSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292070844 289254481 /nfs/dbraw/zinc/25/44/81/289254481.db2.gz DOTVBHXBGOGKLC-FXAWDEMLSA-N 2 2 345.487 1.906 20 0 EDADLP C[N@H+](CCCNC(=O)N1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC000292231844 289295293 /nfs/dbraw/zinc/29/52/93/289295293.db2.gz DSYXNGSQNHRIOG-UHFFFAOYSA-N 2 2 327.432 1.930 20 0 EDADLP C[N@@H+](CCCNC(=O)N1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC000292231844 289295295 /nfs/dbraw/zinc/29/52/95/289295295.db2.gz DSYXNGSQNHRIOG-UHFFFAOYSA-N 2 2 327.432 1.930 20 0 EDADLP CO[C@H](C)CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000340256967 294241044 /nfs/dbraw/zinc/24/10/44/294241044.db2.gz ZXYRIIYUGSGOFG-OAHLLOKOSA-N 2 2 328.501 1.467 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319242 453035088 /nfs/dbraw/zinc/03/50/88/453035088.db2.gz LGFUPGSZPXRYJH-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319242 453035097 /nfs/dbraw/zinc/03/50/97/453035097.db2.gz LGFUPGSZPXRYJH-IAGOWNOFSA-N 2 2 325.497 1.676 20 0 EDADLP [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3nc(C[NH+]4CCCC4)cs3)C[C@H]12 ZINC000351494066 295321318 /nfs/dbraw/zinc/32/13/18/295321318.db2.gz NDWAPZGMBFRVFS-VHDGCEQUSA-N 2 2 349.504 1.347 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)cc[nH+]1 ZINC000418631234 304521500 /nfs/dbraw/zinc/52/15/00/304521500.db2.gz XSFYSHQGRFVMNI-HNNXBMFYSA-N 2 2 332.452 1.134 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ncccc3F)CC2)CC1 ZINC000422012080 447307306 /nfs/dbraw/zinc/30/73/06/447307306.db2.gz DOUKCDXEBCECDS-UHFFFAOYSA-N 2 2 348.466 1.782 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ncccc3F)CC2)CC1 ZINC000422012080 447307310 /nfs/dbraw/zinc/30/73/10/447307310.db2.gz DOUKCDXEBCECDS-UHFFFAOYSA-N 2 2 348.466 1.782 20 0 EDADLP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCCn3cc[nH+]c32)CCCCCC1 ZINC000419032981 304557527 /nfs/dbraw/zinc/55/75/27/304557527.db2.gz BUECQAXRZDWBCV-CQSZACIVSA-N 2 2 347.463 1.045 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333596335 298639802 /nfs/dbraw/zinc/63/98/02/298639802.db2.gz BNDFFKKVFQKXIM-IKGGRYGDSA-N 2 2 338.496 1.271 20 0 EDADLP CC[C@@H](C)[C@H](O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422017540 447310449 /nfs/dbraw/zinc/31/04/49/447310449.db2.gz JHDNYAOHWMEDMI-WBVHZDCISA-N 2 2 325.497 1.412 20 0 EDADLP CC[C@@H](C)[C@H](O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422017540 447310455 /nfs/dbraw/zinc/31/04/55/447310455.db2.gz JHDNYAOHWMEDMI-WBVHZDCISA-N 2 2 325.497 1.412 20 0 EDADLP C[NH+](C)CCN1CCC([NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000293700151 303006318 /nfs/dbraw/zinc/00/63/18/303006318.db2.gz LHTLOGKUESKYSN-OAHLLOKOSA-N 2 2 334.493 1.571 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H](C)[N@H+]1C ZINC000294006740 303050654 /nfs/dbraw/zinc/05/06/54/303050654.db2.gz PFHYDYKLNAIVIP-CALCHBBNSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H](C)[N@@H+]1C ZINC000294006740 303050658 /nfs/dbraw/zinc/05/06/58/303050658.db2.gz PFHYDYKLNAIVIP-CALCHBBNSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H](C)[N@H+]1C ZINC000294006740 303050660 /nfs/dbraw/zinc/05/06/60/303050660.db2.gz PFHYDYKLNAIVIP-CALCHBBNSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H](C)[N@@H+]1C ZINC000294006740 303050663 /nfs/dbraw/zinc/05/06/63/303050663.db2.gz PFHYDYKLNAIVIP-CALCHBBNSA-N 2 2 344.503 1.599 20 0 EDADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000294217165 303078599 /nfs/dbraw/zinc/07/85/99/303078599.db2.gz LQELQUPMLCWYPW-CRAIPNDOSA-N 2 2 333.476 1.856 20 0 EDADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000294217165 303078601 /nfs/dbraw/zinc/07/86/01/303078601.db2.gz LQELQUPMLCWYPW-CRAIPNDOSA-N 2 2 333.476 1.856 20 0 EDADLP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000295089523 303172123 /nfs/dbraw/zinc/17/21/23/303172123.db2.gz WKSCBCAWVGIRKE-KRWDZBQOSA-N 2 2 341.415 1.204 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000295153024 303181179 /nfs/dbraw/zinc/18/11/79/303181179.db2.gz JTOSTNOGPGIPDL-YJBOKZPZSA-N 2 2 332.492 1.385 20 0 EDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000295153024 303181180 /nfs/dbraw/zinc/18/11/80/303181180.db2.gz JTOSTNOGPGIPDL-YJBOKZPZSA-N 2 2 332.492 1.385 20 0 EDADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295156838 303181732 /nfs/dbraw/zinc/18/17/32/303181732.db2.gz GEDKCUMJSYQGFQ-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295156838 303181734 /nfs/dbraw/zinc/18/17/34/303181734.db2.gz GEDKCUMJSYQGFQ-CQSZACIVSA-N 2 2 343.431 1.185 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000295325507 303205055 /nfs/dbraw/zinc/20/50/55/303205055.db2.gz ZFTMSYOSCWNJIZ-JKSUJKDBSA-N 2 2 333.480 1.096 20 0 EDADLP CC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000295840661 303274070 /nfs/dbraw/zinc/27/40/70/303274070.db2.gz ZNYPOOHIVBTTDX-KRWDZBQOSA-N 2 2 335.448 1.160 20 0 EDADLP CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000295840661 303274073 /nfs/dbraw/zinc/27/40/73/303274073.db2.gz ZNYPOOHIVBTTDX-KRWDZBQOSA-N 2 2 335.448 1.160 20 0 EDADLP Cc1cc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cn2cc[nH+]c12 ZINC000296974395 303350668 /nfs/dbraw/zinc/35/06/68/303350668.db2.gz NNVGYMSUJWSRBI-GDBMZVCRSA-N 2 2 343.431 1.827 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377742793 447331669 /nfs/dbraw/zinc/33/16/69/447331669.db2.gz LJDNXOYETXJWGK-ZWKOTPCHSA-N 2 2 338.540 1.591 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377742793 447331677 /nfs/dbraw/zinc/33/16/77/447331677.db2.gz LJDNXOYETXJWGK-ZWKOTPCHSA-N 2 2 338.540 1.591 20 0 EDADLP COCC[NH2+]CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000414868161 447334547 /nfs/dbraw/zinc/33/45/47/447334547.db2.gz DINDMTLSVGUPGI-UHFFFAOYSA-N 3 2 334.508 1.543 20 0 EDADLP CNC(=O)C[NH+]1CCC(CN(C)c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301337643 303673789 /nfs/dbraw/zinc/67/37/89/303673789.db2.gz CVWKLPZYAKZYRJ-UHFFFAOYSA-N 2 2 333.480 1.803 20 0 EDADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423227067 304889868 /nfs/dbraw/zinc/88/98/68/304889868.db2.gz UIYQSZFZOCKGCR-CYBMUJFWSA-N 2 2 337.445 1.628 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428032165 305004582 /nfs/dbraw/zinc/00/45/82/305004582.db2.gz JFRPHMNWUOMHCK-ZWKOTPCHSA-N 2 2 331.460 1.523 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428032165 305004583 /nfs/dbraw/zinc/00/45/83/305004583.db2.gz JFRPHMNWUOMHCK-ZWKOTPCHSA-N 2 2 331.460 1.523 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033899 305004673 /nfs/dbraw/zinc/00/46/73/305004673.db2.gz BQTUWAXTTLERBT-CRAIPNDOSA-N 2 2 349.450 1.737 20 0 EDADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033899 305004674 /nfs/dbraw/zinc/00/46/74/305004674.db2.gz BQTUWAXTTLERBT-CRAIPNDOSA-N 2 2 349.450 1.737 20 0 EDADLP CN(CCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000428040457 305005129 /nfs/dbraw/zinc/00/51/29/305005129.db2.gz JYJJMDYRAFTOIW-WMZOPIPTSA-N 2 2 330.476 1.313 20 0 EDADLP CN(CCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000428040457 305005130 /nfs/dbraw/zinc/00/51/30/305005130.db2.gz JYJJMDYRAFTOIW-WMZOPIPTSA-N 2 2 330.476 1.313 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428043096 305005320 /nfs/dbraw/zinc/00/53/20/305005320.db2.gz XFHJBRQXERVPFB-DOMZBBRYSA-N 2 2 337.851 1.649 20 0 EDADLP COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428043096 305005321 /nfs/dbraw/zinc/00/53/21/305005321.db2.gz XFHJBRQXERVPFB-DOMZBBRYSA-N 2 2 337.851 1.649 20 0 EDADLP CCCn1cc[nH+]c1CCCN(C)C(=O)CN1CC[NH+](CC)CC1 ZINC000430501095 305054518 /nfs/dbraw/zinc/05/45/18/305054518.db2.gz HDLCZAJXODOCII-UHFFFAOYSA-N 2 2 335.496 1.322 20 0 EDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCC1(c2ccccc2)CCOCC1)C1CC1 ZINC000430596635 305057836 /nfs/dbraw/zinc/05/78/36/305057836.db2.gz XJDKCGCQSQZHFB-LJQANCHMSA-N 2 2 345.487 1.568 20 0 EDADLP CCC[C@H](NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000430604179 305058074 /nfs/dbraw/zinc/05/80/74/305058074.db2.gz PKCGBOPIVDLSMA-KRWDZBQOSA-N 2 2 346.475 1.008 20 0 EDADLP CCC[C@H](NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000430604179 305058075 /nfs/dbraw/zinc/05/80/75/305058075.db2.gz PKCGBOPIVDLSMA-KRWDZBQOSA-N 2 2 346.475 1.008 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430641678 305060761 /nfs/dbraw/zinc/06/07/61/305060761.db2.gz JFEUMGWIXOBCQO-GOEBONIOSA-N 2 2 349.475 1.640 20 0 EDADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)C1 ZINC000430641678 305060762 /nfs/dbraw/zinc/06/07/62/305060762.db2.gz JFEUMGWIXOBCQO-GOEBONIOSA-N 2 2 349.475 1.640 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)[NH+]1CCC([NH3+])CC1 ZINC000430639447 305060834 /nfs/dbraw/zinc/06/08/34/305060834.db2.gz FNZZVVHAVSADKS-QWHCGFSZSA-N 2 2 333.432 1.447 20 0 EDADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000430639446 305060845 /nfs/dbraw/zinc/06/08/45/305060845.db2.gz FNZZVVHAVSADKS-OLZOCXBDSA-N 2 2 333.432 1.447 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430948751 305070078 /nfs/dbraw/zinc/07/00/78/305070078.db2.gz LDEWISFDHVJKGJ-KEYYUXOJSA-N 2 2 344.459 1.810 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430948751 305070079 /nfs/dbraw/zinc/07/00/79/305070079.db2.gz LDEWISFDHVJKGJ-KEYYUXOJSA-N 2 2 344.459 1.810 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000430950273 305070235 /nfs/dbraw/zinc/07/02/35/305070235.db2.gz QQMMQHRZAPLSJR-GUYCJALGSA-N 2 2 333.432 1.350 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 ZINC000430950273 305070236 /nfs/dbraw/zinc/07/02/36/305070236.db2.gz QQMMQHRZAPLSJR-GUYCJALGSA-N 2 2 333.432 1.350 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@@H]1[NH3+] ZINC000430964375 305071409 /nfs/dbraw/zinc/07/14/09/305071409.db2.gz DUGLCGIIVPATHS-BBRMVZONSA-N 2 2 326.444 1.722 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC[C@@H]1[NH3+] ZINC000430964375 305071410 /nfs/dbraw/zinc/07/14/10/305071410.db2.gz DUGLCGIIVPATHS-BBRMVZONSA-N 2 2 326.444 1.722 20 0 EDADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430967124 305071674 /nfs/dbraw/zinc/07/16/74/305071674.db2.gz QXQNFSKTOFPUFQ-GFCCVEGCSA-N 2 2 345.365 1.481 20 0 EDADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430967124 305071675 /nfs/dbraw/zinc/07/16/75/305071675.db2.gz QXQNFSKTOFPUFQ-GFCCVEGCSA-N 2 2 345.365 1.481 20 0 EDADLP C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000431012199 305072766 /nfs/dbraw/zinc/07/27/66/305072766.db2.gz DNYDAJLNYQIMSJ-QGZVFWFLSA-N 2 2 348.466 1.548 20 0 EDADLP C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000431012199 305072767 /nfs/dbraw/zinc/07/27/67/305072767.db2.gz DNYDAJLNYQIMSJ-QGZVFWFLSA-N 2 2 348.466 1.548 20 0 EDADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000431069734 305074208 /nfs/dbraw/zinc/07/42/08/305074208.db2.gz VYUDNEFEKLDVES-CQSZACIVSA-N 2 2 338.452 1.814 20 0 EDADLP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000431819226 305083217 /nfs/dbraw/zinc/08/32/17/305083217.db2.gz YHHGZUHNKZEKOE-OAHLLOKOSA-N 2 2 347.463 1.690 20 0 EDADLP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000431819226 305083218 /nfs/dbraw/zinc/08/32/18/305083218.db2.gz YHHGZUHNKZEKOE-OAHLLOKOSA-N 2 2 347.463 1.690 20 0 EDADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435239403 305137678 /nfs/dbraw/zinc/13/76/78/305137678.db2.gz WBLLOMIUKYMVDH-MSOLQXFVSA-N 2 2 329.444 1.240 20 0 EDADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435239403 305137679 /nfs/dbraw/zinc/13/76/79/305137679.db2.gz WBLLOMIUKYMVDH-MSOLQXFVSA-N 2 2 329.444 1.240 20 0 EDADLP Cc1cnc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435435298 305140420 /nfs/dbraw/zinc/14/04/20/305140420.db2.gz XWOMBEYVLXLCBS-INIZCTEOSA-N 2 2 326.448 1.663 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)C1CC(F)(F)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000435557560 305142352 /nfs/dbraw/zinc/14/23/52/305142352.db2.gz JEKOVHAKRWJIHI-ZDUSSCGKSA-N 2 2 338.402 1.936 20 0 EDADLP Cc1nn(C)cc1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435563724 305142503 /nfs/dbraw/zinc/14/25/03/305142503.db2.gz NDOAHHVEVZZMCH-OAHLLOKOSA-N 2 2 342.447 1.247 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435619621 305143446 /nfs/dbraw/zinc/14/34/46/305143446.db2.gz ZGGMCYUTWKEBNR-IBGZPJMESA-N 3 2 344.503 1.405 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435619621 305143447 /nfs/dbraw/zinc/14/34/47/305143447.db2.gz ZGGMCYUTWKEBNR-IBGZPJMESA-N 3 2 344.503 1.405 20 0 EDADLP CO[C@@H](C)c1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cs1 ZINC000436057837 305151669 /nfs/dbraw/zinc/15/16/69/305151669.db2.gz HHDJVRFBOCIQCC-JSGCOSHPSA-N 2 2 340.493 1.670 20 0 EDADLP CO[C@@H](C)c1nc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cs1 ZINC000436057837 305151670 /nfs/dbraw/zinc/15/16/70/305151670.db2.gz HHDJVRFBOCIQCC-JSGCOSHPSA-N 2 2 340.493 1.670 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)n1C ZINC000436481152 305158208 /nfs/dbraw/zinc/15/82/08/305158208.db2.gz QMEHPHWWHJPUPV-MRXNPFEDSA-N 2 2 341.459 1.624 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nccnc2OC)nc[nH+]1 ZINC000436480583 305158371 /nfs/dbraw/zinc/15/83/71/305158371.db2.gz DWWWQEHQYDZWPY-LBPRGKRZSA-N 2 2 329.408 1.076 20 0 EDADLP C[NH+](C)C1(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000438534524 305186804 /nfs/dbraw/zinc/18/68/04/305186804.db2.gz IXRCGNXYZTYGGY-UHFFFAOYSA-N 2 2 331.460 1.733 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C[C@H](C)O1 ZINC000447653394 305283437 /nfs/dbraw/zinc/28/34/37/305283437.db2.gz SHJZHNPLZNJIPY-SOLBZPMBSA-N 2 2 337.508 1.961 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C[C@H](C)O1 ZINC000447653394 305283438 /nfs/dbraw/zinc/28/34/38/305283438.db2.gz SHJZHNPLZNJIPY-SOLBZPMBSA-N 2 2 337.508 1.961 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H](C)O1 ZINC000447653394 305283439 /nfs/dbraw/zinc/28/34/39/305283439.db2.gz SHJZHNPLZNJIPY-SOLBZPMBSA-N 2 2 337.508 1.961 20 0 EDADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H](C)O1 ZINC000447653394 305283440 /nfs/dbraw/zinc/28/34/40/305283440.db2.gz SHJZHNPLZNJIPY-SOLBZPMBSA-N 2 2 337.508 1.961 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000447658865 305283615 /nfs/dbraw/zinc/28/36/15/305283615.db2.gz KTPQVBBGYKMRCZ-UHFFFAOYSA-N 2 2 333.476 1.931 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000447658865 305283616 /nfs/dbraw/zinc/28/36/16/305283616.db2.gz KTPQVBBGYKMRCZ-UHFFFAOYSA-N 2 2 333.476 1.931 20 0 EDADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CN(C)CCN2C)CC1 ZINC000449144125 305307757 /nfs/dbraw/zinc/30/77/57/305307757.db2.gz YICGQWYYGZZXLJ-WIYYLYMNSA-N 2 2 344.547 1.917 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)[C@@H]2C)CC1 ZINC000451466795 305348204 /nfs/dbraw/zinc/34/82/04/305348204.db2.gz XMYCUSGPPXVLFL-AOIWGVFYSA-N 2 2 345.487 1.737 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)[C@@H]2C)CC1 ZINC000451466795 305348205 /nfs/dbraw/zinc/34/82/05/305348205.db2.gz XMYCUSGPPXVLFL-AOIWGVFYSA-N 2 2 345.487 1.737 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3CCCO)cc2n1C ZINC000452365161 305393094 /nfs/dbraw/zinc/39/30/94/305393094.db2.gz NKVBGPLOJWOTEI-OAHLLOKOSA-N 2 2 330.432 1.458 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)NC[C@H]3CCC[N@H+]3CCCO)cc2n1C ZINC000452365161 305393095 /nfs/dbraw/zinc/39/30/95/305393095.db2.gz NKVBGPLOJWOTEI-OAHLLOKOSA-N 2 2 330.432 1.458 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000377775007 447349405 /nfs/dbraw/zinc/34/94/05/447349405.db2.gz GBRYRWIZDFTIFK-KRWDZBQOSA-N 2 2 330.432 1.570 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000377775007 447349411 /nfs/dbraw/zinc/34/94/11/447349411.db2.gz GBRYRWIZDFTIFK-KRWDZBQOSA-N 2 2 330.432 1.570 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458864508 305511924 /nfs/dbraw/zinc/51/19/24/305511924.db2.gz ZRQBXDXQDGUPCK-KRWDZBQOSA-N 2 2 340.512 1.615 20 0 EDADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000494913666 305633684 /nfs/dbraw/zinc/63/36/84/305633684.db2.gz ZSRKRFSNJVVHKH-CQSZACIVSA-N 2 2 325.522 1.995 20 0 EDADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CCC[NH2+]CC1 ZINC000516430856 305736619 /nfs/dbraw/zinc/73/66/19/305736619.db2.gz QBCLYMGXCUEPDH-KRWDZBQOSA-N 2 2 332.448 1.065 20 0 EDADLP C[C@@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000518138534 305758977 /nfs/dbraw/zinc/75/89/77/305758977.db2.gz WTZAGZMODSFHJW-CQSZACIVSA-N 2 2 341.415 1.317 20 0 EDADLP COC[C@]1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CCC[NH2+]1 ZINC000414942209 447365968 /nfs/dbraw/zinc/36/59/68/447365968.db2.gz BKKPMLHCMSCSMS-GOSISDBHSA-N 2 2 332.423 1.929 20 0 EDADLP c1cn(CC[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)c[nH+]1 ZINC000534298868 306005274 /nfs/dbraw/zinc/00/52/74/306005274.db2.gz HQMSJWFOMSBFJH-UHFFFAOYSA-N 2 2 338.415 1.751 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000534309121 306005799 /nfs/dbraw/zinc/00/57/99/306005799.db2.gz IOKDTYNLTDBXEA-UKRRQHHQSA-N 2 2 348.447 1.010 20 0 EDADLP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000534309121 306005800 /nfs/dbraw/zinc/00/58/00/306005800.db2.gz IOKDTYNLTDBXEA-UKRRQHHQSA-N 2 2 348.447 1.010 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548978482 306142985 /nfs/dbraw/zinc/14/29/85/306142985.db2.gz MEBDSNVENZIKNX-MFKMUULPSA-N 2 2 349.859 1.297 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000548978482 306142984 /nfs/dbraw/zinc/14/29/84/306142984.db2.gz MEBDSNVENZIKNX-MFKMUULPSA-N 2 2 349.859 1.297 20 0 EDADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000553175312 306183353 /nfs/dbraw/zinc/18/33/53/306183353.db2.gz ZSWPTKUTZXFPCJ-KBPBESRZSA-N 2 2 326.404 1.361 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)cc3)C2)nn1 ZINC000557339195 306227581 /nfs/dbraw/zinc/22/75/81/306227581.db2.gz QHTNVUUMNXAFOV-HNNXBMFYSA-N 2 2 348.838 1.666 20 0 EDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C2)nn1 ZINC000557339195 306227582 /nfs/dbraw/zinc/22/75/82/306227582.db2.gz QHTNVUUMNXAFOV-HNNXBMFYSA-N 2 2 348.838 1.666 20 0 EDADLP CCC(CC)[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH+]1CCOCC1 ZINC000557481397 306228331 /nfs/dbraw/zinc/22/83/31/306228331.db2.gz MJDLUMTUEVJMMK-WMZOPIPTSA-N 2 2 348.491 1.699 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)[NH+]1CC(C)C1 ZINC000557563261 306229305 /nfs/dbraw/zinc/22/93/05/306229305.db2.gz KIQVVUPKZFVXHS-WMLDXEAASA-N 2 2 344.459 1.415 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)[NH+]1CC(C)C1 ZINC000557563261 306229306 /nfs/dbraw/zinc/22/93/06/306229306.db2.gz KIQVVUPKZFVXHS-WMLDXEAASA-N 2 2 344.459 1.415 20 0 EDADLP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+]1CC(C)C1 ZINC000557564454 306229410 /nfs/dbraw/zinc/22/94/10/306229410.db2.gz SJALBQZEGZJCNR-MRXNPFEDSA-N 2 2 331.460 1.840 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000456348358 447369181 /nfs/dbraw/zinc/36/91/81/447369181.db2.gz UZSJBCGWRZBZLJ-AEFFLSMTSA-N 2 2 331.460 1.298 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456348358 447369188 /nfs/dbraw/zinc/36/91/88/447369188.db2.gz UZSJBCGWRZBZLJ-AEFFLSMTSA-N 2 2 331.460 1.298 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC000456348358 447369193 /nfs/dbraw/zinc/36/91/93/447369193.db2.gz UZSJBCGWRZBZLJ-AEFFLSMTSA-N 2 2 331.460 1.298 20 0 EDADLP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+](Cc2ccccc2)C1 ZINC000456348358 447369201 /nfs/dbraw/zinc/36/92/01/447369201.db2.gz UZSJBCGWRZBZLJ-AEFFLSMTSA-N 2 2 331.460 1.298 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@H]3CCCOC3)CC2)CC1 ZINC000422152608 447375113 /nfs/dbraw/zinc/37/51/13/447375113.db2.gz AFRKFBICMSMKRB-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@H]3CCCOC3)CC2)CC1 ZINC000422152608 447375115 /nfs/dbraw/zinc/37/51/15/447375115.db2.gz AFRKFBICMSMKRB-INIZCTEOSA-N 2 2 338.496 1.367 20 0 EDADLP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414970407 447378527 /nfs/dbraw/zinc/37/85/27/447378527.db2.gz GPRDKQHJHNOWFM-CYBMUJFWSA-N 2 2 347.415 1.221 20 0 EDADLP CC(C)C[N@@H+](C)CCCNC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000665217760 453610716 /nfs/dbraw/zinc/61/07/16/453610716.db2.gz VGKSFIAMIBHWTD-CVEARBPZSA-N 2 2 328.501 1.373 20 0 EDADLP CC(C)C[NH+](C)CCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000665217760 453610720 /nfs/dbraw/zinc/61/07/20/453610720.db2.gz VGKSFIAMIBHWTD-CVEARBPZSA-N 2 2 328.501 1.373 20 0 EDADLP CC(C)C[NH+](C)CCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000665217760 453610724 /nfs/dbraw/zinc/61/07/24/453610724.db2.gz VGKSFIAMIBHWTD-CVEARBPZSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@@H]1[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC(=O)N1Cc1ccccc1 ZINC000419729954 447378834 /nfs/dbraw/zinc/37/88/34/447378834.db2.gz PEGDTGNNAMNGKR-PBHICJAKSA-N 2 2 341.459 1.765 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CCc1ccc(F)cc1 ZINC000657090268 453672522 /nfs/dbraw/zinc/67/25/22/453672522.db2.gz BDKGGPFYMDNAJG-UHFFFAOYSA-N 2 2 345.484 1.171 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CCc1ccc(F)cc1 ZINC000657090268 453672526 /nfs/dbraw/zinc/67/25/26/453672526.db2.gz BDKGGPFYMDNAJG-UHFFFAOYSA-N 2 2 345.484 1.171 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415301213 447405336 /nfs/dbraw/zinc/40/53/36/447405336.db2.gz BIYXVVLFLJOLJH-CABCVRRESA-N 2 2 347.463 1.866 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000422214162 447406098 /nfs/dbraw/zinc/40/60/98/447406098.db2.gz WZRKVZWDJZZCDY-ZWKOTPCHSA-N 2 2 334.508 1.987 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000422214162 447406103 /nfs/dbraw/zinc/40/61/03/447406103.db2.gz WZRKVZWDJZZCDY-ZWKOTPCHSA-N 2 2 334.508 1.987 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CCO1 ZINC000426382178 447430475 /nfs/dbraw/zinc/43/04/75/447430475.db2.gz YWMDEJRVKMEDFF-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CCO1 ZINC000426382178 447430478 /nfs/dbraw/zinc/43/04/78/447430478.db2.gz YWMDEJRVKMEDFF-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000426382178 447430483 /nfs/dbraw/zinc/43/04/83/447430483.db2.gz YWMDEJRVKMEDFF-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000426382178 447430488 /nfs/dbraw/zinc/43/04/88/447430488.db2.gz YWMDEJRVKMEDFF-DLBZAZTESA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000045753162 441032028 /nfs/dbraw/zinc/03/20/28/441032028.db2.gz OEKWMWGZUULZMC-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP CC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000045753162 441032036 /nfs/dbraw/zinc/03/20/36/441032036.db2.gz OEKWMWGZUULZMC-MRXNPFEDSA-N 2 2 332.448 1.231 20 0 EDADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105081478 441230513 /nfs/dbraw/zinc/23/05/13/441230513.db2.gz IIJVQFMWWFWGEU-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP CC[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000105084313 441231150 /nfs/dbraw/zinc/23/11/50/441231150.db2.gz AERNVOFMMYJNNA-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP CC[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000105084313 441231153 /nfs/dbraw/zinc/23/11/53/441231153.db2.gz AERNVOFMMYJNNA-UHFFFAOYSA-N 3 2 339.528 1.138 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1)[NH+]1CCOCC1 ZINC000105101155 441233879 /nfs/dbraw/zinc/23/38/79/441233879.db2.gz VNGQSMIIGQTJFO-LSDHHAIUSA-N 2 2 345.447 1.285 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080926207 441208964 /nfs/dbraw/zinc/20/89/64/441208964.db2.gz FBNGQUXMZCYSNJ-GOSISDBHSA-N 2 2 340.427 1.809 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(O)CCCCC1 ZINC000081048177 441226447 /nfs/dbraw/zinc/22/64/47/441226447.db2.gz SIGQKTQDLRNCMG-UHFFFAOYSA-N 2 2 325.497 1.556 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(O)CCCCC1 ZINC000081048177 441226451 /nfs/dbraw/zinc/22/64/51/441226451.db2.gz SIGQKTQDLRNCMG-UHFFFAOYSA-N 2 2 325.497 1.556 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCSCC2)CC1 ZINC000047987115 441246208 /nfs/dbraw/zinc/24/62/08/441246208.db2.gz AOIGMSYRFQMINJ-MRXNPFEDSA-N 2 2 333.501 1.941 20 0 EDADLP Cc1cccnc1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105286788 441248269 /nfs/dbraw/zinc/24/82/69/441248269.db2.gz JLEOEOOLEDNUKV-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP Cc1cccnc1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105286788 441248271 /nfs/dbraw/zinc/24/82/71/441248271.db2.gz JLEOEOOLEDNUKV-UHFFFAOYSA-N 2 2 333.480 1.557 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072720124 441253827 /nfs/dbraw/zinc/25/38/27/441253827.db2.gz MNPVAOGTKCHMQR-IAGOWNOFSA-N 2 2 325.497 1.726 20 0 EDADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072720124 441253829 /nfs/dbraw/zinc/25/38/29/441253829.db2.gz MNPVAOGTKCHMQR-IAGOWNOFSA-N 2 2 325.497 1.726 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000072949239 441278193 /nfs/dbraw/zinc/27/81/93/441278193.db2.gz QXFLTCGEOFNWSR-ROUUACIJSA-N 2 2 345.487 1.596 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000072949239 441278195 /nfs/dbraw/zinc/27/81/95/441278195.db2.gz QXFLTCGEOFNWSR-ROUUACIJSA-N 2 2 345.487 1.596 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000081516330 441280912 /nfs/dbraw/zinc/28/09/12/441280912.db2.gz CMQGBMQCFSRHIL-WMZOPIPTSA-N 2 2 345.487 1.770 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000081516330 441280914 /nfs/dbraw/zinc/28/09/14/441280914.db2.gz CMQGBMQCFSRHIL-WMZOPIPTSA-N 2 2 345.487 1.770 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000081516330 441280919 /nfs/dbraw/zinc/28/09/19/441280919.db2.gz CMQGBMQCFSRHIL-WMZOPIPTSA-N 2 2 345.487 1.770 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000081516330 441280923 /nfs/dbraw/zinc/28/09/23/441280923.db2.gz CMQGBMQCFSRHIL-WMZOPIPTSA-N 2 2 345.487 1.770 20 0 EDADLP c1ccc(N2CCC(Nc3cc[nH+]c(N4CCOCC4)n3)CC2)[nH+]c1 ZINC000378526591 447439085 /nfs/dbraw/zinc/43/90/85/447439085.db2.gz PSCWGKUKCRYRFO-UHFFFAOYSA-N 2 2 340.431 1.789 20 0 EDADLP CC[NH+](CC)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000063663711 441341168 /nfs/dbraw/zinc/34/11/68/441341168.db2.gz APAGFTDFXIXWQB-AWEZNQCLSA-N 2 2 325.478 1.579 20 0 EDADLP CCC[N@@H+]1Cc2cccc(NC(=O)CN3CC[NH+](CC)CC3)c2C1 ZINC000073308811 441308427 /nfs/dbraw/zinc/30/84/27/441308427.db2.gz SMNNGHCBIINCHI-UHFFFAOYSA-N 2 2 330.476 1.988 20 0 EDADLP CCC[N@H+]1Cc2cccc(NC(=O)CN3CC[NH+](CC)CC3)c2C1 ZINC000073308811 441308428 /nfs/dbraw/zinc/30/84/28/441308428.db2.gz SMNNGHCBIINCHI-UHFFFAOYSA-N 2 2 330.476 1.988 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000105897132 441312141 /nfs/dbraw/zinc/31/21/41/441312141.db2.gz RQLYSKPGXXASIB-KBPBESRZSA-N 2 2 328.420 1.900 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000105897132 441312143 /nfs/dbraw/zinc/31/21/43/441312143.db2.gz RQLYSKPGXXASIB-KBPBESRZSA-N 2 2 328.420 1.900 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000106543136 441353764 /nfs/dbraw/zinc/35/37/64/441353764.db2.gz AFCIIIDCXKMMLC-QGZVFWFLSA-N 2 2 347.507 1.054 20 0 EDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000106543136 441353766 /nfs/dbraw/zinc/35/37/66/441353766.db2.gz AFCIIIDCXKMMLC-QGZVFWFLSA-N 2 2 347.507 1.054 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSC(C)(C)C2)C1 ZINC000083415860 441359064 /nfs/dbraw/zinc/35/90/64/441359064.db2.gz HWEHHCPBOBCPNX-OAHLLOKOSA-N 2 2 343.537 1.287 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSC(C)(C)C2)C1 ZINC000083415860 441359069 /nfs/dbraw/zinc/35/90/69/441359069.db2.gz HWEHHCPBOBCPNX-OAHLLOKOSA-N 2 2 343.537 1.287 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCSC(C)(C)C2)C1 ZINC000083415860 441359072 /nfs/dbraw/zinc/35/90/72/441359072.db2.gz HWEHHCPBOBCPNX-OAHLLOKOSA-N 2 2 343.537 1.287 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCSC(C)(C)C2)C1 ZINC000083415860 441359077 /nfs/dbraw/zinc/35/90/77/441359077.db2.gz HWEHHCPBOBCPNX-OAHLLOKOSA-N 2 2 343.537 1.287 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCSC(C)(C)C1 ZINC000083418857 441361292 /nfs/dbraw/zinc/36/12/92/441361292.db2.gz JUBUUAXYWNOBNE-HNNXBMFYSA-N 2 2 348.516 1.946 20 0 EDADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCSC(C)(C)C1 ZINC000083418857 441361297 /nfs/dbraw/zinc/36/12/97/441361297.db2.gz JUBUUAXYWNOBNE-HNNXBMFYSA-N 2 2 348.516 1.946 20 0 EDADLP CC(C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nc1)[NH+]1CCOCC1 ZINC000051402217 441410123 /nfs/dbraw/zinc/41/01/23/441410123.db2.gz ICNDMWKXIHCQGB-MRXNPFEDSA-N 2 2 343.431 1.354 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000107370312 441414654 /nfs/dbraw/zinc/41/46/54/441414654.db2.gz YZNDWPRRSVDBFP-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000107370312 441414658 /nfs/dbraw/zinc/41/46/58/441414658.db2.gz YZNDWPRRSVDBFP-IBGZPJMESA-N 2 2 344.503 1.357 20 0 EDADLP CCOCC[N@H+](CC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000107791830 441431425 /nfs/dbraw/zinc/43/14/25/441431425.db2.gz QDHNCMWLWMKFMV-UHFFFAOYSA-N 2 2 339.505 1.751 20 0 EDADLP CCOCC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000107791830 441431428 /nfs/dbraw/zinc/43/14/28/441431428.db2.gz QDHNCMWLWMKFMV-UHFFFAOYSA-N 2 2 339.505 1.751 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000052136506 441436014 /nfs/dbraw/zinc/43/60/14/441436014.db2.gz FZKPUZITWBHBSP-UHFFFAOYSA-N 2 2 348.476 2.456 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCOCC1CC1 ZINC000088599261 441514894 /nfs/dbraw/zinc/51/48/94/441514894.db2.gz LAPUPFNYNIXQTP-MRXNPFEDSA-N 2 2 346.475 1.477 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCOCC1CC1 ZINC000088599261 441514896 /nfs/dbraw/zinc/51/48/96/441514896.db2.gz LAPUPFNYNIXQTP-MRXNPFEDSA-N 2 2 346.475 1.477 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)CC(C)(C)C ZINC000111661221 441539491 /nfs/dbraw/zinc/53/94/91/441539491.db2.gz BBAHOXGTJSBQJP-UHFFFAOYSA-N 2 2 340.512 1.023 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CNC(=O)CC(C)(C)C ZINC000111661221 441539498 /nfs/dbraw/zinc/53/94/98/441539498.db2.gz BBAHOXGTJSBQJP-UHFFFAOYSA-N 2 2 340.512 1.023 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109751124 441504767 /nfs/dbraw/zinc/50/47/67/441504767.db2.gz GGKIVMFSQQYDFL-SJLPKXTDSA-N 2 2 338.540 1.782 20 0 EDADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109751124 441504770 /nfs/dbraw/zinc/50/47/70/441504770.db2.gz GGKIVMFSQQYDFL-SJLPKXTDSA-N 2 2 338.540 1.782 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000076548841 441657180 /nfs/dbraw/zinc/65/71/80/441657180.db2.gz ZXIKJEJGEDDEPT-UHFFFAOYSA-N 2 2 346.475 1.617 20 0 EDADLP CC[NH+]1CCN(CCCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000041570717 441659746 /nfs/dbraw/zinc/65/97/46/441659746.db2.gz PXYHDKDFTYMZLT-UHFFFAOYSA-N 2 2 341.459 1.630 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000114478773 441661787 /nfs/dbraw/zinc/66/17/87/441661787.db2.gz AIIDAVQMTFMYGJ-KRWDZBQOSA-N 2 2 333.476 1.975 20 0 EDADLP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000114478773 441661791 /nfs/dbraw/zinc/66/17/91/441661791.db2.gz AIIDAVQMTFMYGJ-KRWDZBQOSA-N 2 2 333.476 1.975 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000114479954 441663077 /nfs/dbraw/zinc/66/30/77/441663077.db2.gz HQYIIMZYQVKDDT-INIZCTEOSA-N 2 2 340.471 1.777 20 0 EDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCc2cccc3cccnc32)C1 ZINC000114479954 441663078 /nfs/dbraw/zinc/66/30/78/441663078.db2.gz HQYIIMZYQVKDDT-INIZCTEOSA-N 2 2 340.471 1.777 20 0 EDADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000076898531 441692330 /nfs/dbraw/zinc/69/23/30/441692330.db2.gz OTBXLFJNQNZOQV-OAHLLOKOSA-N 2 2 329.448 1.683 20 0 EDADLP CC[N@H+](C)CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000158779019 441764004 /nfs/dbraw/zinc/76/40/04/441764004.db2.gz GTZZPETXPJDYDN-UHFFFAOYSA-N 2 2 339.505 1.689 20 0 EDADLP CC[N@@H+](C)CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000158779019 441764011 /nfs/dbraw/zinc/76/40/11/441764011.db2.gz GTZZPETXPJDYDN-UHFFFAOYSA-N 2 2 339.505 1.689 20 0 EDADLP CC(C)[C@@H](CO)[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000093179042 441862226 /nfs/dbraw/zinc/86/22/26/441862226.db2.gz KRFRPODSDQQHBQ-GOSISDBHSA-N 2 2 333.476 1.280 20 0 EDADLP CC(C)[C@@H](CO)[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000093179042 441862228 /nfs/dbraw/zinc/86/22/28/441862228.db2.gz KRFRPODSDQQHBQ-GOSISDBHSA-N 2 2 333.476 1.280 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)n(C)n1 ZINC000173955198 441868749 /nfs/dbraw/zinc/86/87/49/441868749.db2.gz XZFOPFDIFODXCI-JKSUJKDBSA-N 2 2 333.480 1.640 20 0 EDADLP Cc1cc(N2CC[C@@H]([N@@H+](C)CC[C@@H]3CCCC[NH+]3C)C2=O)n(C)n1 ZINC000173955198 441868751 /nfs/dbraw/zinc/86/87/51/441868751.db2.gz XZFOPFDIFODXCI-JKSUJKDBSA-N 2 2 333.480 1.640 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH+](C)CC[C@@H]3CCCC[N@@H+]3C)C2=O)n(C)n1 ZINC000173955198 441868753 /nfs/dbraw/zinc/86/87/53/441868753.db2.gz XZFOPFDIFODXCI-JKSUJKDBSA-N 2 2 333.480 1.640 20 0 EDADLP Cc1cc(N2CC[C@@H]([NH+](C)CC[C@@H]3CCCC[N@H+]3C)C2=O)n(C)n1 ZINC000173955198 441868756 /nfs/dbraw/zinc/86/87/56/441868756.db2.gz XZFOPFDIFODXCI-JKSUJKDBSA-N 2 2 333.480 1.640 20 0 EDADLP COCC[NH+]1[C@H](C)CN(c2cncc(-n3cc[nH+]c3C)n2)C[C@H]1C ZINC000092924473 441841527 /nfs/dbraw/zinc/84/15/27/441841527.db2.gz PSPYHZJPQIFASY-ZIAGYGMSSA-N 2 2 330.436 1.516 20 0 EDADLP CC[C@H]1C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000174364312 441917681 /nfs/dbraw/zinc/91/76/81/441917681.db2.gz UEIPHKSFNXBPMC-INIZCTEOSA-N 2 2 348.516 1.948 20 0 EDADLP CC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1 ZINC000174364312 441917685 /nfs/dbraw/zinc/91/76/85/441917685.db2.gz UEIPHKSFNXBPMC-INIZCTEOSA-N 2 2 348.516 1.948 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000078541392 441941596 /nfs/dbraw/zinc/94/15/96/441941596.db2.gz PSAAYSSRWZIZDW-SJLPKXTDSA-N 2 2 348.491 1.179 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H]4CCC[C@@H]4C3)CC2)CC1 ZINC000119658153 441945842 /nfs/dbraw/zinc/94/58/42/441945842.db2.gz ZUIYZWDNDMMQMU-IYBDPMFKSA-N 2 2 334.508 1.987 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150785364 441951425 /nfs/dbraw/zinc/95/14/25/441951425.db2.gz OMKWFIZYOXIFCK-INIZCTEOSA-N 2 2 326.444 1.814 20 0 EDADLP O=c1c2ccccc2ncn1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150785364 441951433 /nfs/dbraw/zinc/95/14/33/441951433.db2.gz OMKWFIZYOXIFCK-INIZCTEOSA-N 2 2 326.444 1.814 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000174662064 441951528 /nfs/dbraw/zinc/95/15/28/441951528.db2.gz OBMBNSSXCWIZND-KRWDZBQOSA-N 2 2 346.475 1.799 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000174662064 441951531 /nfs/dbraw/zinc/95/15/31/441951531.db2.gz OBMBNSSXCWIZND-KRWDZBQOSA-N 2 2 346.475 1.799 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174715353 441957091 /nfs/dbraw/zinc/95/70/91/441957091.db2.gz GQSVNURWFXSLAA-UHFFFAOYSA-N 2 2 332.492 1.811 20 0 EDADLP Cc1cc(C)cc(NC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174715353 441957097 /nfs/dbraw/zinc/95/70/97/441957097.db2.gz GQSVNURWFXSLAA-UHFFFAOYSA-N 2 2 332.492 1.811 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000174763800 441966591 /nfs/dbraw/zinc/96/65/91/441966591.db2.gz CDJPUXUVBZRBEL-INIZCTEOSA-N 2 2 332.379 1.348 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000174763800 441966594 /nfs/dbraw/zinc/96/65/94/441966594.db2.gz CDJPUXUVBZRBEL-INIZCTEOSA-N 2 2 332.379 1.348 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000174771722 441966617 /nfs/dbraw/zinc/96/66/17/441966617.db2.gz XKDVZZBHQHRNMF-SJORKVTESA-N 2 2 327.513 1.827 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000174771722 441966620 /nfs/dbraw/zinc/96/66/20/441966620.db2.gz XKDVZZBHQHRNMF-SJORKVTESA-N 2 2 327.513 1.827 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000174771722 441966623 /nfs/dbraw/zinc/96/66/23/441966623.db2.gz XKDVZZBHQHRNMF-SJORKVTESA-N 2 2 327.513 1.827 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCOCCC(C)C)[C@H](C)C1 ZINC000174771722 441966629 /nfs/dbraw/zinc/96/66/29/441966629.db2.gz XKDVZZBHQHRNMF-SJORKVTESA-N 2 2 327.513 1.827 20 0 EDADLP Cc1ccc(F)c(OCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000125233298 442000969 /nfs/dbraw/zinc/00/09/69/442000969.db2.gz MVHGJSVWKCTFNR-UHFFFAOYSA-N 2 2 337.439 1.655 20 0 EDADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000151234747 442028662 /nfs/dbraw/zinc/02/86/62/442028662.db2.gz IXIQXJPQZUNDNZ-AWEZNQCLSA-N 2 2 330.457 1.851 20 0 EDADLP C[N@H+](CC(=O)NCc1cccnc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440895 442048222 /nfs/dbraw/zinc/04/82/22/442048222.db2.gz FUQRHVRKMJQION-UHFFFAOYSA-N 2 2 339.443 1.694 20 0 EDADLP C[N@@H+](CC(=O)NCc1cccnc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440895 442048228 /nfs/dbraw/zinc/04/82/28/442048228.db2.gz FUQRHVRKMJQION-UHFFFAOYSA-N 2 2 339.443 1.694 20 0 EDADLP C[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000079701890 442079175 /nfs/dbraw/zinc/07/91/75/442079175.db2.gz SDVMNAXGGGLJEY-UHFFFAOYSA-N 2 2 332.448 1.735 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C[N@@H+]1C1CC1 ZINC000120478271 442079396 /nfs/dbraw/zinc/07/93/96/442079396.db2.gz NHYPRMHGSOUBRX-GXTWGEPZSA-N 2 2 327.494 1.158 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C[N@H+]1C1CC1 ZINC000120478271 442079401 /nfs/dbraw/zinc/07/94/01/442079401.db2.gz NHYPRMHGSOUBRX-GXTWGEPZSA-N 2 2 327.494 1.158 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000079771162 442084981 /nfs/dbraw/zinc/08/49/81/442084981.db2.gz FWEGFTJDEJYOCD-UHFFFAOYSA-N 2 2 342.447 1.586 20 0 EDADLP COc1ccccc1NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126471052 442115478 /nfs/dbraw/zinc/11/54/78/442115478.db2.gz GZVVRMMVMZXSPM-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP COc1ccccc1NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126471052 442115482 /nfs/dbraw/zinc/11/54/82/442115482.db2.gz GZVVRMMVMZXSPM-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP COc1ccccc1NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126471052 442115484 /nfs/dbraw/zinc/11/54/84/442115484.db2.gz GZVVRMMVMZXSPM-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP COc1ccccc1NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126471052 442115488 /nfs/dbraw/zinc/11/54/88/442115488.db2.gz GZVVRMMVMZXSPM-UHFFFAOYSA-N 2 2 348.491 1.592 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccccc1F ZINC000126497338 442117422 /nfs/dbraw/zinc/11/74/22/442117422.db2.gz BSHXQKQINZCOFU-UHFFFAOYSA-N 2 2 336.455 1.722 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccccc1F ZINC000126497338 442117424 /nfs/dbraw/zinc/11/74/24/442117424.db2.gz BSHXQKQINZCOFU-UHFFFAOYSA-N 2 2 336.455 1.722 20 0 EDADLP CN(CC[N@H+](C)CC(=O)Nc1ccccc1F)C1CC[NH+](C)CC1 ZINC000126497338 442117425 /nfs/dbraw/zinc/11/74/25/442117425.db2.gz BSHXQKQINZCOFU-UHFFFAOYSA-N 2 2 336.455 1.722 20 0 EDADLP CN(CC[N@@H+](C)CC(=O)Nc1ccccc1F)C1CC[NH+](C)CC1 ZINC000126497338 442117428 /nfs/dbraw/zinc/11/74/28/442117428.db2.gz BSHXQKQINZCOFU-UHFFFAOYSA-N 2 2 336.455 1.722 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000120799460 442134520 /nfs/dbraw/zinc/13/45/20/442134520.db2.gz BOTDNJJZWPVOJT-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000120799460 442134523 /nfs/dbraw/zinc/13/45/23/442134523.db2.gz BOTDNJJZWPVOJT-GOSISDBHSA-N 2 2 331.460 1.442 20 0 EDADLP COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162495025 442098709 /nfs/dbraw/zinc/09/87/09/442098709.db2.gz AEKZAICPCPSTRR-JKSUJKDBSA-N 2 2 331.460 1.607 20 0 EDADLP COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162495025 442098712 /nfs/dbraw/zinc/09/87/12/442098712.db2.gz AEKZAICPCPSTRR-JKSUJKDBSA-N 2 2 331.460 1.607 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000162599056 442106946 /nfs/dbraw/zinc/10/69/46/442106946.db2.gz IXJVLZUOLKIKHY-HZPDHXFCSA-N 2 2 331.464 1.834 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000162599056 442106951 /nfs/dbraw/zinc/10/69/51/442106951.db2.gz IXJVLZUOLKIKHY-HZPDHXFCSA-N 2 2 331.464 1.834 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000176070017 442170086 /nfs/dbraw/zinc/17/00/86/442170086.db2.gz DXSPZCXGKZNOOP-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1CCOCC1(C)C ZINC000176070017 442170091 /nfs/dbraw/zinc/17/00/91/442170091.db2.gz DXSPZCXGKZNOOP-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000176070017 442170094 /nfs/dbraw/zinc/17/00/94/442170094.db2.gz DXSPZCXGKZNOOP-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000176070017 442170096 /nfs/dbraw/zinc/17/00/96/442170096.db2.gz DXSPZCXGKZNOOP-GJZGRUSLSA-N 2 2 326.485 1.079 20 0 EDADLP O=C(C[NH2+]C[C@@H]1CCCO1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000163556380 442173797 /nfs/dbraw/zinc/17/37/97/442173797.db2.gz GYVYJYPDGFKDHN-AWEZNQCLSA-N 2 2 338.477 1.836 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000152176300 442176784 /nfs/dbraw/zinc/17/67/84/442176784.db2.gz KCAHMJQTVIBEPQ-HOTGVXAUSA-N 2 2 349.479 1.513 20 0 EDADLP CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCCCC2 ZINC000121138088 442181830 /nfs/dbraw/zinc/18/18/30/442181830.db2.gz DPGLYICQZAVNPP-IRXDYDNUSA-N 2 2 337.508 1.820 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121165038 442185077 /nfs/dbraw/zinc/18/50/77/442185077.db2.gz BSSLIFJDBGJUQF-LJQANCHMSA-N 3 2 344.503 1.214 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121165038 442185080 /nfs/dbraw/zinc/18/50/80/442185080.db2.gz BSSLIFJDBGJUQF-LJQANCHMSA-N 3 2 344.503 1.214 20 0 EDADLP C[NH+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121165038 442185082 /nfs/dbraw/zinc/18/50/82/442185082.db2.gz BSSLIFJDBGJUQF-LJQANCHMSA-N 3 2 344.503 1.214 20 0 EDADLP C[NH+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121165038 442185086 /nfs/dbraw/zinc/18/50/86/442185086.db2.gz BSSLIFJDBGJUQF-LJQANCHMSA-N 3 2 344.503 1.214 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[NH2+]CC3CC3)c[nH+]2)C[C@H](C)O1 ZINC000164673346 442201163 /nfs/dbraw/zinc/20/11/63/442201163.db2.gz QLAOPSUZRSRKND-OKILXGFUSA-N 2 2 332.448 1.311 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(F)c1 ZINC000097000268 442154291 /nfs/dbraw/zinc/15/42/91/442154291.db2.gz HEEXBINPHMJHTA-UHFFFAOYSA-N 2 2 343.468 1.472 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(F)c1 ZINC000097000268 442154295 /nfs/dbraw/zinc/15/42/95/442154295.db2.gz HEEXBINPHMJHTA-UHFFFAOYSA-N 2 2 343.468 1.472 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000152018423 442154801 /nfs/dbraw/zinc/15/48/01/442154801.db2.gz ZRJBASOTFYZFLN-AHRSYUTCSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000152018423 442154805 /nfs/dbraw/zinc/15/48/05/442154805.db2.gz ZRJBASOTFYZFLN-AHRSYUTCSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000152018423 442154810 /nfs/dbraw/zinc/15/48/10/442154810.db2.gz ZRJBASOTFYZFLN-AHRSYUTCSA-N 2 2 329.488 1.960 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000152018423 442154816 /nfs/dbraw/zinc/15/48/16/442154816.db2.gz ZRJBASOTFYZFLN-AHRSYUTCSA-N 2 2 329.488 1.960 20 0 EDADLP O=S1(=O)CCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000126938475 442155888 /nfs/dbraw/zinc/15/58/88/442155888.db2.gz KEBRVMNXHHYLKG-SFHVURJKSA-N 2 2 336.501 1.860 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@@H+]1C1CC1 ZINC000127925074 442233825 /nfs/dbraw/zinc/23/38/25/442233825.db2.gz HGZPGKQFQDLXIL-HUUCEWRRSA-N 2 2 329.448 1.538 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)C[N@H+]1C1CC1 ZINC000127925074 442233826 /nfs/dbraw/zinc/23/38/26/442233826.db2.gz HGZPGKQFQDLXIL-HUUCEWRRSA-N 2 2 329.448 1.538 20 0 EDADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000176583875 442236802 /nfs/dbraw/zinc/23/68/02/442236802.db2.gz QQGRVHNCCGEDTG-CABCVRRESA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000176583875 442236804 /nfs/dbraw/zinc/23/68/04/442236804.db2.gz QQGRVHNCCGEDTG-CABCVRRESA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000176583875 442236807 /nfs/dbraw/zinc/23/68/07/442236807.db2.gz QQGRVHNCCGEDTG-CABCVRRESA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000176583875 442236811 /nfs/dbraw/zinc/23/68/11/442236811.db2.gz QQGRVHNCCGEDTG-CABCVRRESA-N 2 2 326.485 1.125 20 0 EDADLP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)NCC1CCCCC1 ZINC000129170667 442304913 /nfs/dbraw/zinc/30/49/13/442304913.db2.gz KRGAYCKNXQPECZ-SFHVURJKSA-N 2 2 337.508 1.727 20 0 EDADLP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)NCC1CCCCC1 ZINC000129170667 442304915 /nfs/dbraw/zinc/30/49/15/442304915.db2.gz KRGAYCKNXQPECZ-SFHVURJKSA-N 2 2 337.508 1.727 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000171011511 442298406 /nfs/dbraw/zinc/29/84/06/442298406.db2.gz QMQHJHSMKGAGQV-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP C[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000171011511 442298407 /nfs/dbraw/zinc/29/84/07/442298407.db2.gz QMQHJHSMKGAGQV-UHFFFAOYSA-N 2 2 348.491 1.658 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOCC(F)(F)F)CC1 ZINC000177127935 442301171 /nfs/dbraw/zinc/30/11/71/442301171.db2.gz LEKIQFKGQJQHST-UHFFFAOYSA-N 2 2 325.375 1.098 20 0 EDADLP CCCS(=O)(=O)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171303779 442340689 /nfs/dbraw/zinc/34/06/89/442340689.db2.gz JWNADRYFJKNLOC-IYBDPMFKSA-N 2 2 346.537 1.632 20 0 EDADLP CCCS(=O)(=O)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171303779 442340691 /nfs/dbraw/zinc/34/06/91/442340691.db2.gz JWNADRYFJKNLOC-IYBDPMFKSA-N 2 2 346.537 1.632 20 0 EDADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000177767226 442381482 /nfs/dbraw/zinc/38/14/82/442381482.db2.gz GSNJXNSLFNUCTN-MRXNPFEDSA-N 2 2 343.431 1.198 20 0 EDADLP C[C@@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000130978024 442361142 /nfs/dbraw/zinc/36/11/42/442361142.db2.gz CSKVBCWMLNCYMV-HNNXBMFYSA-N 2 2 333.501 1.598 20 0 EDADLP C[C@@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000130978024 442361144 /nfs/dbraw/zinc/36/11/44/442361144.db2.gz CSKVBCWMLNCYMV-HNNXBMFYSA-N 2 2 333.501 1.598 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000172100643 442409485 /nfs/dbraw/zinc/40/94/85/442409485.db2.gz CNYKDDKOGVGIAM-SFHVURJKSA-N 2 2 342.443 1.959 20 0 EDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000172100643 442409488 /nfs/dbraw/zinc/40/94/88/442409488.db2.gz CNYKDDKOGVGIAM-SFHVURJKSA-N 2 2 342.443 1.959 20 0 EDADLP O=C(C[C@H]1CSCC[NH2+]1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000133419432 442417573 /nfs/dbraw/zinc/41/75/73/442417573.db2.gz LEHXXMAWZXXFLK-INIZCTEOSA-N 2 2 344.484 1.685 20 0 EDADLP Cc1c(C(=O)NCc2[nH+]ccn2CC(C)C)nnn1C1CC[NH2+]CC1 ZINC000178809614 442491058 /nfs/dbraw/zinc/49/10/58/442491058.db2.gz FYLJZQJPIKFXRB-UHFFFAOYSA-N 2 2 345.451 1.294 20 0 EDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179761525 442499025 /nfs/dbraw/zinc/49/90/25/442499025.db2.gz PTJVQKTXHHAGTB-CQSZACIVSA-N 2 2 344.459 1.460 20 0 EDADLP CSC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000191896017 442535445 /nfs/dbraw/zinc/53/54/45/442535445.db2.gz MOHRGEHHZNPHPN-UHFFFAOYSA-N 2 2 325.522 1.949 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180074516 442538070 /nfs/dbraw/zinc/53/80/70/442538070.db2.gz LNDMAOWPBLLNMZ-KRWDZBQOSA-N 2 2 327.476 1.936 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180074516 442538074 /nfs/dbraw/zinc/53/80/74/442538074.db2.gz LNDMAOWPBLLNMZ-KRWDZBQOSA-N 2 2 327.476 1.936 20 0 EDADLP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000178892241 442517084 /nfs/dbraw/zinc/51/70/84/442517084.db2.gz KGTGUCWSVBCFGA-INIZCTEOSA-N 2 2 336.867 1.330 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC[NH+]2CCCC2)C1 ZINC000180708096 442651117 /nfs/dbraw/zinc/65/11/17/442651117.db2.gz OBNCCIXVBDAWOG-UHFFFAOYSA-N 2 2 340.464 1.724 20 0 EDADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181035319 442676711 /nfs/dbraw/zinc/67/67/11/442676711.db2.gz DWUIVJMCLGSKGL-DLBZAZTESA-N 2 2 325.497 1.724 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(F)cc1 ZINC000192711867 442678988 /nfs/dbraw/zinc/67/89/88/442678988.db2.gz OZVQTLHUNAEQAL-UHFFFAOYSA-N 2 2 325.409 1.818 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(F)cc1 ZINC000192711867 442678989 /nfs/dbraw/zinc/67/89/89/442678989.db2.gz OZVQTLHUNAEQAL-UHFFFAOYSA-N 2 2 325.409 1.818 20 0 EDADLP c1nc(N2CCC[C@H]([NH2+][C@@H]3CCCOC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000180783651 442658936 /nfs/dbraw/zinc/65/89/36/442658936.db2.gz ZPEFFDAVFPSSFO-JKSUJKDBSA-N 2 2 347.463 1.051 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180941939 442670405 /nfs/dbraw/zinc/67/04/05/442670405.db2.gz MEFKUEKQTNAIAY-KRWDZBQOSA-N 2 2 340.556 1.837 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180941939 442670406 /nfs/dbraw/zinc/67/04/06/442670406.db2.gz MEFKUEKQTNAIAY-KRWDZBQOSA-N 2 2 340.556 1.837 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180941939 442670408 /nfs/dbraw/zinc/67/04/08/442670408.db2.gz MEFKUEKQTNAIAY-KRWDZBQOSA-N 2 2 340.556 1.837 20 0 EDADLP CC(C)C[C@H](C)N(C)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180941939 442670409 /nfs/dbraw/zinc/67/04/09/442670409.db2.gz MEFKUEKQTNAIAY-KRWDZBQOSA-N 2 2 340.556 1.837 20 0 EDADLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188241062 442728008 /nfs/dbraw/zinc/72/80/08/442728008.db2.gz CNCPSEIXFCXWHF-XJKSGUPXSA-N 2 2 337.851 1.534 20 0 EDADLP CC(C)CNC(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317879 442738517 /nfs/dbraw/zinc/73/85/17/442738517.db2.gz DMLHCGOUMNMDRA-IBGZPJMESA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)CNC(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317879 442738519 /nfs/dbraw/zinc/73/85/19/442738519.db2.gz DMLHCGOUMNMDRA-IBGZPJMESA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)CNC(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188317879 442738521 /nfs/dbraw/zinc/73/85/21/442738521.db2.gz DMLHCGOUMNMDRA-IBGZPJMESA-N 2 2 333.476 1.327 20 0 EDADLP CC(C)CNC(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188317879 442738524 /nfs/dbraw/zinc/73/85/24/442738524.db2.gz DMLHCGOUMNMDRA-IBGZPJMESA-N 2 2 333.476 1.327 20 0 EDADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H]1CCCO1 ZINC000182282847 442752761 /nfs/dbraw/zinc/75/27/61/442752761.db2.gz QSVIYWCGHDZZJM-DLBZAZTESA-N 2 2 335.448 1.471 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246522992 442789190 /nfs/dbraw/zinc/78/91/90/442789190.db2.gz IXMKHHOUFNASTF-FUHWJXTLSA-N 2 2 345.491 1.327 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246522992 442789194 /nfs/dbraw/zinc/78/91/94/442789194.db2.gz IXMKHHOUFNASTF-FUHWJXTLSA-N 2 2 345.491 1.327 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246522992 442789196 /nfs/dbraw/zinc/78/91/96/442789196.db2.gz IXMKHHOUFNASTF-FUHWJXTLSA-N 2 2 345.491 1.327 20 0 EDADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246522992 442789200 /nfs/dbraw/zinc/78/92/00/442789200.db2.gz IXMKHHOUFNASTF-FUHWJXTLSA-N 2 2 345.491 1.327 20 0 EDADLP CC(C)(C)[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000193850985 442798813 /nfs/dbraw/zinc/79/88/13/442798813.db2.gz HPBBLZVAAOEGEA-UHFFFAOYSA-N 2 2 340.512 1.659 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)c1 ZINC000188758740 442805858 /nfs/dbraw/zinc/80/58/58/442805858.db2.gz ZWSPNHSARZPOFV-JLJPHGGASA-N 2 2 335.423 1.600 20 0 EDADLP CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000247055496 442832125 /nfs/dbraw/zinc/83/21/25/442832125.db2.gz XAQXSVFJEKEYKD-GJZGRUSLSA-N 2 2 337.468 1.379 20 0 EDADLP CCO[C@@H](C)c1noc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000247055496 442832129 /nfs/dbraw/zinc/83/21/29/442832129.db2.gz XAQXSVFJEKEYKD-GJZGRUSLSA-N 2 2 337.468 1.379 20 0 EDADLP C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1CCO ZINC000188878172 442833271 /nfs/dbraw/zinc/83/32/71/442833271.db2.gz AHHFMLHBIPQIHL-AWEZNQCLSA-N 2 2 343.431 1.617 20 0 EDADLP C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1CCO ZINC000188878172 442833272 /nfs/dbraw/zinc/83/32/72/442833272.db2.gz AHHFMLHBIPQIHL-AWEZNQCLSA-N 2 2 343.431 1.617 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000268089195 442843672 /nfs/dbraw/zinc/84/36/72/442843672.db2.gz AJVGNLODABHNBI-BBRMVZONSA-N 2 2 327.432 1.659 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000268089195 442843677 /nfs/dbraw/zinc/84/36/77/442843677.db2.gz AJVGNLODABHNBI-BBRMVZONSA-N 2 2 327.432 1.659 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)C(=O)OC ZINC000247548902 442861641 /nfs/dbraw/zinc/86/16/41/442861641.db2.gz PSKZLBPZBFVMOV-ZMSDIMECSA-N 2 2 341.496 1.497 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C(=O)OC ZINC000247548902 442861644 /nfs/dbraw/zinc/86/16/44/442861644.db2.gz PSKZLBPZBFVMOV-ZMSDIMECSA-N 2 2 341.496 1.497 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C(=O)OC ZINC000247548902 442861649 /nfs/dbraw/zinc/86/16/49/442861649.db2.gz PSKZLBPZBFVMOV-ZMSDIMECSA-N 2 2 341.496 1.497 20 0 EDADLP CC[C@H](C)[C@@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C(=O)OC ZINC000247548902 442861652 /nfs/dbraw/zinc/86/16/52/442861652.db2.gz PSKZLBPZBFVMOV-ZMSDIMECSA-N 2 2 341.496 1.497 20 0 EDADLP C[N@H+](CCO)C1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268432976 442987278 /nfs/dbraw/zinc/98/72/78/442987278.db2.gz IWVLURGKUDVWRD-MRXNPFEDSA-N 2 2 347.459 1.296 20 0 EDADLP C[N@@H+](CCO)C1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268432976 442987280 /nfs/dbraw/zinc/98/72/80/442987280.db2.gz IWVLURGKUDVWRD-MRXNPFEDSA-N 2 2 347.459 1.296 20 0 EDADLP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(C)c1 ZINC000265981669 442992931 /nfs/dbraw/zinc/99/29/31/442992931.db2.gz BMIHMDPJAMKVAX-MOPGFXCFSA-N 2 2 348.487 1.697 20 0 EDADLP CCC(CC)[C@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)[NH+]1CCOCC1 ZINC000266072057 443007949 /nfs/dbraw/zinc/00/79/49/443007949.db2.gz MDIJNYXAPLOMPW-GOSISDBHSA-N 2 2 348.491 1.901 20 0 EDADLP COCc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000268765609 443102286 /nfs/dbraw/zinc/10/22/86/443102286.db2.gz BQKYUWZSDUIMHE-QGZVFWFLSA-N 2 2 330.428 1.935 20 0 EDADLP COCc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)o1 ZINC000268765609 443102289 /nfs/dbraw/zinc/10/22/89/443102289.db2.gz BQKYUWZSDUIMHE-QGZVFWFLSA-N 2 2 330.428 1.935 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255673978 443107196 /nfs/dbraw/zinc/10/71/96/443107196.db2.gz IYAKPCCNDCSMDV-DANOYGIBSA-N 2 2 326.400 1.332 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000255673978 443107199 /nfs/dbraw/zinc/10/71/99/443107199.db2.gz IYAKPCCNDCSMDV-DANOYGIBSA-N 2 2 326.400 1.332 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)CC[N@@H+]1C ZINC000268792030 443110000 /nfs/dbraw/zinc/11/00/00/443110000.db2.gz GLURUQQICMVQSO-MAUKXSAKSA-N 2 2 331.460 1.731 20 0 EDADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)CC[N@H+]1C ZINC000268792030 443110005 /nfs/dbraw/zinc/11/00/05/443110005.db2.gz GLURUQQICMVQSO-MAUKXSAKSA-N 2 2 331.460 1.731 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238031153 443192895 /nfs/dbraw/zinc/19/28/95/443192895.db2.gz RXZHJWJWPYKRIA-GOSISDBHSA-N 2 2 343.471 1.525 20 0 EDADLP CCOc1ccccc1NC(=O)CC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000268933087 443151079 /nfs/dbraw/zinc/15/10/79/443151079.db2.gz ZEZJHWJIBPMJKE-UHFFFAOYSA-N 2 2 349.475 1.802 20 0 EDADLP CCOc1ccccc1NC(=O)CC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000268933087 443151082 /nfs/dbraw/zinc/15/10/82/443151082.db2.gz ZEZJHWJIBPMJKE-UHFFFAOYSA-N 2 2 349.475 1.802 20 0 EDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263013376 443223006 /nfs/dbraw/zinc/22/30/06/443223006.db2.gz PYYOFHREECRAIN-VXGBXAGGSA-N 2 2 329.416 1.998 20 0 EDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245546084 443235740 /nfs/dbraw/zinc/23/57/40/443235740.db2.gz MZJIYGQFSAIIBV-IRXDYDNUSA-N 2 2 343.475 1.788 20 0 EDADLP C[C@@H](c1ccsc1)[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000185460969 443203560 /nfs/dbraw/zinc/20/35/60/443203560.db2.gz ZEVCSPZWZPJNOR-HNNXBMFYSA-N 2 2 336.505 1.201 20 0 EDADLP CCc1cccc(OCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000343636414 318991014 /nfs/dbraw/zinc/99/10/14/318991014.db2.gz BRJDSHGIPCTUNT-UHFFFAOYSA-N 2 2 345.487 1.868 20 0 EDADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000269239601 443246288 /nfs/dbraw/zinc/24/62/88/443246288.db2.gz CIFFGWXESVZUGY-JKSUJKDBSA-N 2 2 331.460 1.718 20 0 EDADLP CN(C(=O)[C@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245743792 443247321 /nfs/dbraw/zinc/24/73/21/443247321.db2.gz WCKMZYZUVYNPHX-CGTJXYLNSA-N 2 2 337.508 1.819 20 0 EDADLP CN(C(=O)[C@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245743792 443247325 /nfs/dbraw/zinc/24/73/25/443247325.db2.gz WCKMZYZUVYNPHX-CGTJXYLNSA-N 2 2 337.508 1.819 20 0 EDADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3C)C2)CC1 ZINC000359901680 319114218 /nfs/dbraw/zinc/11/42/18/319114218.db2.gz RUOCEVLAYAEPOV-QGZVFWFLSA-N 2 2 348.495 1.003 20 0 EDADLP CC[NH+](CC)CCN1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000359907869 319114417 /nfs/dbraw/zinc/11/44/17/319114417.db2.gz ZNJNDRMLDREMJS-KRWDZBQOSA-N 2 2 329.448 1.457 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3noc(C)n3)C2)CC1 ZINC000360160322 319117276 /nfs/dbraw/zinc/11/72/76/319117276.db2.gz XPTFARIZJRVBRJ-HIFRSBDPSA-N 2 2 335.452 1.110 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3noc(C)n3)C2)CC1 ZINC000360160322 319117277 /nfs/dbraw/zinc/11/72/77/319117277.db2.gz XPTFARIZJRVBRJ-HIFRSBDPSA-N 2 2 335.452 1.110 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000382735665 319125145 /nfs/dbraw/zinc/12/51/45/319125145.db2.gz KAWRRDYYAWIFJZ-UHOSZYNNSA-N 2 2 336.476 1.653 20 0 EDADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000382735665 319125146 /nfs/dbraw/zinc/12/51/46/319125146.db2.gz KAWRRDYYAWIFJZ-UHOSZYNNSA-N 2 2 336.476 1.653 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000397297557 319134171 /nfs/dbraw/zinc/13/41/71/319134171.db2.gz DZBNGFMRRYXGHH-ZBFHGGJFSA-N 2 2 333.432 1.364 20 0 EDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000245899734 443255245 /nfs/dbraw/zinc/25/52/45/443255245.db2.gz RSQIKPJLPJWZBM-VQHPVUNQSA-N 2 2 338.496 1.364 20 0 EDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000245899734 443255249 /nfs/dbraw/zinc/25/52/49/443255249.db2.gz RSQIKPJLPJWZBM-VQHPVUNQSA-N 2 2 338.496 1.364 20 0 EDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2n(n1)CCC2 ZINC000414079554 319316161 /nfs/dbraw/zinc/31/61/61/319316161.db2.gz RZCUNLYYPYTSHT-WMLDXEAASA-N 2 2 333.480 1.423 20 0 EDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2n(n1)CCC2 ZINC000414079554 319316164 /nfs/dbraw/zinc/31/61/64/319316164.db2.gz RZCUNLYYPYTSHT-WMLDXEAASA-N 2 2 333.480 1.423 20 0 EDADLP COCCNC(=O)C1([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000414211072 319320576 /nfs/dbraw/zinc/32/05/76/319320576.db2.gz OEXOEKUCIAXVIN-WBVHZDCISA-N 2 2 337.508 1.914 20 0 EDADLP C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000415736062 319368054 /nfs/dbraw/zinc/36/80/54/319368054.db2.gz FHZXDZACJKSAGM-GXFFZTMASA-N 2 2 341.415 1.337 20 0 EDADLP [NH3+][C@@H]1CCc2ncc(NC(=O)NCCCNc3cccc[nH+]3)cc2C1 ZINC000415963653 319385544 /nfs/dbraw/zinc/38/55/44/319385544.db2.gz RNCCLUFTGIJLGB-CQSZACIVSA-N 2 2 340.431 1.916 20 0 EDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264417776 443284622 /nfs/dbraw/zinc/28/46/22/443284622.db2.gz JKOXHGFMXWENLE-MRXNPFEDSA-N 2 2 341.459 1.297 20 0 EDADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246090747 443267490 /nfs/dbraw/zinc/26/74/90/443267490.db2.gz WOMKOWQGTNPSQE-HYVNUMGLSA-N 2 2 344.521 1.433 20 0 EDADLP C[C@H]1C[N@H+](CCN(C)CC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000191505054 443304162 /nfs/dbraw/zinc/30/41/62/443304162.db2.gz IMCJHEQCVVLGAF-IBGZPJMESA-N 2 2 346.519 1.461 20 0 EDADLP C[C@H]1C[N@@H+](CCN(C)CC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000191505054 443304167 /nfs/dbraw/zinc/30/41/67/443304167.db2.gz IMCJHEQCVVLGAF-IBGZPJMESA-N 2 2 346.519 1.461 20 0 EDADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000416890929 319470437 /nfs/dbraw/zinc/47/04/37/319470437.db2.gz TYNFRXLIZVQSLG-ZWKOTPCHSA-N 2 2 346.475 1.405 20 0 EDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000416908641 319471611 /nfs/dbraw/zinc/47/16/11/319471611.db2.gz DSMQRHSWJFTBCD-RHSMWYFYSA-N 2 2 327.432 1.858 20 0 EDADLP CCN(C)C(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000264538851 443318261 /nfs/dbraw/zinc/31/82/61/443318261.db2.gz GZTWYZHBYBFQLN-UHFFFAOYSA-N 2 2 332.492 1.214 20 0 EDADLP CCN(C)C(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000264538851 443318262 /nfs/dbraw/zinc/31/82/62/443318262.db2.gz GZTWYZHBYBFQLN-UHFFFAOYSA-N 2 2 332.492 1.214 20 0 EDADLP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418530217 319504731 /nfs/dbraw/zinc/50/47/31/319504731.db2.gz VALNVXXGSMHGHT-WEBJUUICSA-N 2 2 328.460 1.637 20 0 EDADLP C[C@@H](CCC[NH3+])NC(=O)N(CC[NH+]1CCOCC1)Cc1ccco1 ZINC000418684928 319511520 /nfs/dbraw/zinc/51/15/20/319511520.db2.gz CWBGKWIPPMROFR-HNNXBMFYSA-N 2 2 338.452 1.251 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267104798 443342406 /nfs/dbraw/zinc/34/24/06/443342406.db2.gz LPSFECMRUZMIHC-KRWDZBQOSA-N 2 2 332.473 1.898 20 0 EDADLP C[NH+](C)C/C=C/C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264618343 443349519 /nfs/dbraw/zinc/34/95/19/443349519.db2.gz KGXAEBXHTZKKRI-QPJJXVBHSA-N 2 2 347.459 1.132 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)NCCc2cn3ccccc3[nH+]2)CCSC1 ZINC000267173594 443367229 /nfs/dbraw/zinc/36/72/29/443367229.db2.gz LQKWLJCDUFAAJT-QGZVFWFLSA-N 2 2 347.488 1.613 20 0 EDADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000420368623 319611558 /nfs/dbraw/zinc/61/15/58/319611558.db2.gz UJCMDQDEGKRUFI-MRXNPFEDSA-N 2 2 344.459 1.495 20 0 EDADLP CC(C)(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCOCC1 ZINC000278763823 443430249 /nfs/dbraw/zinc/43/02/49/443430249.db2.gz GCOWAPSTSVICRP-UHFFFAOYSA-N 2 2 346.475 1.273 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000278675960 443399358 /nfs/dbraw/zinc/39/93/58/443399358.db2.gz BUGBBPRXTGUUMI-OAHLLOKOSA-N 2 2 335.452 1.246 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000267294587 443408828 /nfs/dbraw/zinc/40/88/28/443408828.db2.gz WJUFFLLDOFQKDW-UHFFFAOYSA-N 2 2 343.427 1.549 20 0 EDADLP C[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[NH+]1CCSCC1 ZINC000269722576 443411190 /nfs/dbraw/zinc/41/11/90/443411190.db2.gz XWOBFPSJEYFRKG-JSGCOSHPSA-N 2 2 327.519 1.904 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000267414389 443448643 /nfs/dbraw/zinc/44/86/43/443448643.db2.gz JARRWHMYTXRVCW-CABCVRRESA-N 2 2 348.447 1.391 20 0 EDADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000267414389 443448646 /nfs/dbraw/zinc/44/86/46/443448646.db2.gz JARRWHMYTXRVCW-CABCVRRESA-N 2 2 348.447 1.391 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC3CCN(C=O)CC3)[nH+]c2)CC1 ZINC000278825178 443453528 /nfs/dbraw/zinc/45/35/28/443453528.db2.gz SURQTDFCTNDSNM-UHFFFAOYSA-N 2 2 331.464 1.645 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267439761 443458567 /nfs/dbraw/zinc/45/85/67/443458567.db2.gz OWJDWCPQBIIPDD-HOCLYGCPSA-N 2 2 349.456 1.726 20 0 EDADLP CS(=O)(=O)c1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267439761 443458570 /nfs/dbraw/zinc/45/85/70/443458570.db2.gz OWJDWCPQBIIPDD-HOCLYGCPSA-N 2 2 349.456 1.726 20 0 EDADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422739342 319735996 /nfs/dbraw/zinc/73/59/96/319735996.db2.gz LDKLACANYGTJRM-IAGOWNOFSA-N 2 2 331.441 1.829 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc(C)[nH+]1 ZINC000422978379 319744655 /nfs/dbraw/zinc/74/46/55/319744655.db2.gz ZFOKQQIRZHYPJL-QGZVFWFLSA-N 2 2 344.459 1.305 20 0 EDADLP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000283428788 443630762 /nfs/dbraw/zinc/63/07/62/443630762.db2.gz JFQNNVANVHAQQG-UHFFFAOYSA-N 2 2 347.463 1.108 20 0 EDADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000286044484 443633339 /nfs/dbraw/zinc/63/33/39/443633339.db2.gz QVCKMUIUHPKPNQ-WBVHZDCISA-N 2 2 327.432 1.562 20 0 EDADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000286044484 443633342 /nfs/dbraw/zinc/63/33/42/443633342.db2.gz QVCKMUIUHPKPNQ-WBVHZDCISA-N 2 2 327.432 1.562 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)cc[nH+]1 ZINC000274252056 443600203 /nfs/dbraw/zinc/60/02/03/443600203.db2.gz SXSDFVRPWBNUJH-XJKSGUPXSA-N 2 2 344.463 1.099 20 0 EDADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441037451 320086395 /nfs/dbraw/zinc/08/63/95/320086395.db2.gz STWADPSKZCGLRN-QGZVFWFLSA-N 2 2 338.540 1.734 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)CC(C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000444297738 320126555 /nfs/dbraw/zinc/12/65/55/320126555.db2.gz KLOGSUMAAYDQQD-UHFFFAOYSA-N 2 2 332.408 1.099 20 0 EDADLP CCC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC000449224787 320179744 /nfs/dbraw/zinc/17/97/44/320179744.db2.gz MSBWWVDWDCGAQC-ROUUACIJSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCC[C@H]1C ZINC000449228399 320180219 /nfs/dbraw/zinc/18/02/19/320180219.db2.gz YSIXPVWZOOFLFK-OWSLCNJRSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000450211601 320213716 /nfs/dbraw/zinc/21/37/16/320213716.db2.gz AUKNBHHYDGYCKC-SJLPKXTDSA-N 2 2 336.524 1.534 20 0 EDADLP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000450211601 320213718 /nfs/dbraw/zinc/21/37/18/320213718.db2.gz AUKNBHHYDGYCKC-SJLPKXTDSA-N 2 2 336.524 1.534 20 0 EDADLP CO[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1(C)C ZINC000451494473 320235540 /nfs/dbraw/zinc/23/55/40/320235540.db2.gz KTOOCFDQWMBQSK-JKSUJKDBSA-N 2 2 346.475 1.523 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(-n2ccnn2)c1 ZINC000453264292 320261588 /nfs/dbraw/zinc/26/15/88/320261588.db2.gz MMMYMMJXLICYBR-MAUKXSAKSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(-n2ccnn2)c1 ZINC000453264292 320261590 /nfs/dbraw/zinc/26/15/90/320261590.db2.gz MMMYMMJXLICYBR-MAUKXSAKSA-N 2 2 329.448 1.765 20 0 EDADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000457095174 320319625 /nfs/dbraw/zinc/31/96/25/320319625.db2.gz PSLSULTVFRVVPM-ZACQAIPSSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000457095174 320319626 /nfs/dbraw/zinc/31/96/26/320319626.db2.gz PSLSULTVFRVVPM-ZACQAIPSSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000457095174 320319627 /nfs/dbraw/zinc/31/96/27/320319627.db2.gz PSLSULTVFRVVPM-ZACQAIPSSA-N 2 2 325.497 1.817 20 0 EDADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC000457095174 320319628 /nfs/dbraw/zinc/31/96/28/320319628.db2.gz PSLSULTVFRVVPM-ZACQAIPSSA-N 2 2 325.497 1.817 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000491561860 320371991 /nfs/dbraw/zinc/37/19/91/320371991.db2.gz LMWUGAZPNQXDKU-IMXKFXGHSA-N 2 2 340.427 1.722 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)/C=C\c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000491561860 320371992 /nfs/dbraw/zinc/37/19/92/320371992.db2.gz LMWUGAZPNQXDKU-IMXKFXGHSA-N 2 2 340.427 1.722 20 0 EDADLP C[NH+]1CCN(C[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2)CC1 ZINC000492759985 320385049 /nfs/dbraw/zinc/38/50/49/320385049.db2.gz CSEDOAANHFMZNR-ZEVQVBBLSA-N 2 2 339.443 1.528 20 0 EDADLP Cc1cnccc1/C=C\C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000493383809 320394626 /nfs/dbraw/zinc/39/46/26/320394626.db2.gz KNBQNOHCFTVNNI-WAYWQWQTSA-N 2 2 330.476 1.888 20 0 EDADLP Cc1cnccc1/C=C\C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000493383809 320394627 /nfs/dbraw/zinc/39/46/27/320394627.db2.gz KNBQNOHCFTVNNI-WAYWQWQTSA-N 2 2 330.476 1.888 20 0 EDADLP O=C(NCC[N@H+]1CC=CCC1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000280286284 443691594 /nfs/dbraw/zinc/69/15/94/443691594.db2.gz QSIVNPXNLYWUJF-IBGZPJMESA-N 2 2 343.471 1.563 20 0 EDADLP O=C(NCC[N@@H+]1CC=CCC1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000280286284 443691598 /nfs/dbraw/zinc/69/15/98/443691598.db2.gz QSIVNPXNLYWUJF-IBGZPJMESA-N 2 2 343.471 1.563 20 0 EDADLP [NH3+]CCOc1ccc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000514589189 320429169 /nfs/dbraw/zinc/42/91/69/320429169.db2.gz KDZUXSOZFKENKR-ZDUSSCGKSA-N 2 2 329.404 1.920 20 0 EDADLP COCc1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ncn1 ZINC000516505090 320436841 /nfs/dbraw/zinc/43/68/41/320436841.db2.gz OPTPPSDPLAJGIH-UHFFFAOYSA-N 2 2 333.480 1.618 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000298228557 443725905 /nfs/dbraw/zinc/72/59/05/443725905.db2.gz BDGGIOHYOULRPJ-FQEVSTJZSA-N 3 2 329.488 1.622 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000298228557 443725906 /nfs/dbraw/zinc/72/59/06/443725906.db2.gz BDGGIOHYOULRPJ-FQEVSTJZSA-N 3 2 329.488 1.622 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000520834722 320480613 /nfs/dbraw/zinc/48/06/13/320480613.db2.gz LHJQWJYRVRDASE-QGZVFWFLSA-N 2 2 336.476 1.560 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000298257678 443732643 /nfs/dbraw/zinc/73/26/43/443732643.db2.gz ZNAWMNCIRFAPLA-KRWDZBQOSA-N 2 2 341.459 1.971 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000298257678 443732647 /nfs/dbraw/zinc/73/26/47/443732647.db2.gz ZNAWMNCIRFAPLA-KRWDZBQOSA-N 2 2 341.459 1.971 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(NC(C)=O)nc2)CC1 ZINC000291066028 443743910 /nfs/dbraw/zinc/74/39/10/443743910.db2.gz QKQMQWRGNJKPGR-UHFFFAOYSA-N 2 2 348.447 1.547 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298547741 443796337 /nfs/dbraw/zinc/79/63/37/443796337.db2.gz XMRLNVBRJAIJQP-INIZCTEOSA-N 2 2 327.432 1.977 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298547741 443796341 /nfs/dbraw/zinc/79/63/41/443796341.db2.gz XMRLNVBRJAIJQP-INIZCTEOSA-N 2 2 327.432 1.977 20 0 EDADLP Cc1cc(CNC(=O)NCc2c[nH+]cn2C)cc(N2CCCC2)[nH+]1 ZINC000292025605 443774153 /nfs/dbraw/zinc/77/41/53/443774153.db2.gz POYULOMHKPEPKE-UHFFFAOYSA-N 2 2 328.420 1.723 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216544 320616579 /nfs/dbraw/zinc/61/65/79/320616579.db2.gz QJGCANPIDPDJBV-DGCLKSJQSA-N 2 2 328.359 1.907 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000298682736 443837093 /nfs/dbraw/zinc/83/70/93/443837093.db2.gz WOZDCEHSVDHZOV-UHFFFAOYSA-N 2 2 347.463 1.154 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000292615105 443802531 /nfs/dbraw/zinc/80/25/31/443802531.db2.gz ULEYJFTXAYPLQP-RHSMWYFYSA-N 2 2 327.432 1.740 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000292615105 443802534 /nfs/dbraw/zinc/80/25/34/443802534.db2.gz ULEYJFTXAYPLQP-RHSMWYFYSA-N 2 2 327.432 1.740 20 0 EDADLP COCc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)no1 ZINC000298582726 443806744 /nfs/dbraw/zinc/80/67/44/443806744.db2.gz XYTTUXYEYWEQGX-UHFFFAOYSA-N 2 2 344.459 1.858 20 0 EDADLP C[C@H](O)CNc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)[nH+]cn1 ZINC000299012145 443928161 /nfs/dbraw/zinc/92/81/61/443928161.db2.gz SKSHHRLEBLPXNG-AWEZNQCLSA-N 2 2 342.447 1.993 20 0 EDADLP C[C@H](O)CNc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)nc[nH+]1 ZINC000299012145 443928164 /nfs/dbraw/zinc/92/81/64/443928164.db2.gz SKSHHRLEBLPXNG-AWEZNQCLSA-N 2 2 342.447 1.993 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)ccc2[nH+]1 ZINC000293298698 443977397 /nfs/dbraw/zinc/97/73/97/443977397.db2.gz BDCFCNFGZIYNFA-BETUJISGSA-N 2 2 329.404 1.132 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)ccc2[nH+]1 ZINC000293298698 443977399 /nfs/dbraw/zinc/97/73/99/443977399.db2.gz BDCFCNFGZIYNFA-BETUJISGSA-N 2 2 329.404 1.132 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285456461 443990744 /nfs/dbraw/zinc/99/07/44/443990744.db2.gz KXVUEWMIQCPFQW-AWEZNQCLSA-N 2 2 345.447 1.105 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000285456461 443990748 /nfs/dbraw/zinc/99/07/48/443990748.db2.gz KXVUEWMIQCPFQW-AWEZNQCLSA-N 2 2 345.447 1.105 20 0 EDADLP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000552868196 320931869 /nfs/dbraw/zinc/93/18/69/320931869.db2.gz RGHVUDWTFZLTRE-INIZCTEOSA-N 2 2 331.460 1.475 20 0 EDADLP CO[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000285546248 444023139 /nfs/dbraw/zinc/02/31/39/444023139.db2.gz GCVUXYUDFCAOCE-HNNXBMFYSA-N 2 2 335.448 1.424 20 0 EDADLP CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000285546248 444023144 /nfs/dbraw/zinc/02/31/44/444023144.db2.gz GCVUXYUDFCAOCE-HNNXBMFYSA-N 2 2 335.448 1.424 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)[nH+]c1 ZINC000285564859 444030820 /nfs/dbraw/zinc/03/08/20/444030820.db2.gz VSGCEHXZDSNCJA-HZPDHXFCSA-N 2 2 347.463 1.307 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)[nH+]c1 ZINC000285564859 444030823 /nfs/dbraw/zinc/03/08/23/444030823.db2.gz VSGCEHXZDSNCJA-HZPDHXFCSA-N 2 2 347.463 1.307 20 0 EDADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCn2c[nH+]cc2C1 ZINC000555191101 320964460 /nfs/dbraw/zinc/96/44/60/320964460.db2.gz IEPMSZVHTKRSDI-CVEARBPZSA-N 2 2 333.436 1.052 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000289124682 444058988 /nfs/dbraw/zinc/05/89/88/444058988.db2.gz OAMBKGIFWFHACM-MRXNPFEDSA-N 2 2 325.478 1.726 20 0 EDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000561145310 321035027 /nfs/dbraw/zinc/03/50/27/321035027.db2.gz MBORXMZZYQWFGP-SJORKVTESA-N 2 2 332.448 1.111 20 0 EDADLP CCNc1nc(N2CC[NH+](C3CCC3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000561182602 321035709 /nfs/dbraw/zinc/03/57/09/321035709.db2.gz LZCBHAZALRCVOB-UHFFFAOYSA-N 2 2 333.484 1.610 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000561214898 321036387 /nfs/dbraw/zinc/03/63/87/321036387.db2.gz DYTFBIPDXUYSNN-ZWKOTPCHSA-N 3 2 341.459 1.124 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000561214898 321036389 /nfs/dbraw/zinc/03/63/89/321036389.db2.gz DYTFBIPDXUYSNN-ZWKOTPCHSA-N 3 2 341.459 1.124 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCNS(C)(=O)=O)C2)s1 ZINC000561944754 321045207 /nfs/dbraw/zinc/04/52/07/321045207.db2.gz CKULRVPKNBDBIQ-AWEZNQCLSA-N 2 2 345.534 1.359 20 0 EDADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCNS(C)(=O)=O)C2)s1 ZINC000561944754 321045209 /nfs/dbraw/zinc/04/52/09/321045209.db2.gz CKULRVPKNBDBIQ-AWEZNQCLSA-N 2 2 345.534 1.359 20 0 EDADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCNS(C)(=O)=O)C2)s1 ZINC000561944754 321045211 /nfs/dbraw/zinc/04/52/11/321045211.db2.gz CKULRVPKNBDBIQ-AWEZNQCLSA-N 2 2 345.534 1.359 20 0 EDADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCNS(C)(=O)=O)C2)s1 ZINC000561944754 321045212 /nfs/dbraw/zinc/04/52/12/321045212.db2.gz CKULRVPKNBDBIQ-AWEZNQCLSA-N 2 2 345.534 1.359 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000562803350 321076737 /nfs/dbraw/zinc/07/67/37/321076737.db2.gz UHLAUINFSWJMPA-CJNGLKHVSA-N 2 2 329.379 1.515 20 0 EDADLP CCN1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000562819575 321079176 /nfs/dbraw/zinc/07/91/76/321079176.db2.gz PTSNFBSIVDFNHX-QLFBSQMISA-N 2 2 334.468 1.315 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CC(=O)N(C(C)C)C3)c2cc1C ZINC000562988133 321085518 /nfs/dbraw/zinc/08/55/18/321085518.db2.gz UEOQBWVGFUIHLC-HZPDHXFCSA-N 2 2 344.459 1.613 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CC(=O)N(C(C)C)C3)c2cc1C ZINC000562988129 321085544 /nfs/dbraw/zinc/08/55/44/321085544.db2.gz UEOQBWVGFUIHLC-CVEARBPZSA-N 2 2 344.459 1.613 20 0 EDADLP CN1C(=O)NCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000563021773 321088523 /nfs/dbraw/zinc/08/85/23/321088523.db2.gz JOPBWOGRZMAIRI-UHFFFAOYSA-N 2 2 325.416 1.862 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000564736055 321144405 /nfs/dbraw/zinc/14/44/05/321144405.db2.gz HOLWKPCDICESGR-KBXCAEBGSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000564736055 321144406 /nfs/dbraw/zinc/14/44/06/321144406.db2.gz HOLWKPCDICESGR-KBXCAEBGSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000564736055 321144408 /nfs/dbraw/zinc/14/44/08/321144408.db2.gz HOLWKPCDICESGR-KBXCAEBGSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000564736055 321144410 /nfs/dbraw/zinc/14/44/10/321144410.db2.gz HOLWKPCDICESGR-KBXCAEBGSA-N 2 2 342.443 1.471 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CCc3ccccc3CC2)C[C@@H](C)O1 ZINC000564859972 321152281 /nfs/dbraw/zinc/15/22/81/321152281.db2.gz LJMPGLSXSUYOSG-QINHECLXSA-N 2 2 332.488 1.994 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000565244826 321178990 /nfs/dbraw/zinc/17/89/90/321178990.db2.gz JEQMQIPRKKLYCF-MRXNPFEDSA-N 2 2 341.415 1.556 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000565244826 321178992 /nfs/dbraw/zinc/17/89/92/321178992.db2.gz JEQMQIPRKKLYCF-MRXNPFEDSA-N 2 2 341.415 1.556 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3([S@@](C)=O)CCC3)c2cc1C ZINC000565300500 321180214 /nfs/dbraw/zinc/18/02/14/321180214.db2.gz RNBXAVGFMYFOEF-IZHWHUGBSA-N 2 2 349.500 1.905 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000565454669 321186999 /nfs/dbraw/zinc/18/69/99/321186999.db2.gz VDYDDQSGUOHLIQ-KRWDZBQOSA-N 2 2 342.443 1.633 20 0 EDADLP CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000565549727 321191241 /nfs/dbraw/zinc/19/12/41/321191241.db2.gz PBOCQZBMMMQGLS-TWMKSMIVSA-N 2 2 328.497 1.451 20 0 EDADLP CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000565549727 321191243 /nfs/dbraw/zinc/19/12/43/321191243.db2.gz PBOCQZBMMMQGLS-TWMKSMIVSA-N 2 2 328.497 1.451 20 0 EDADLP CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000565549727 321191244 /nfs/dbraw/zinc/19/12/44/321191244.db2.gz PBOCQZBMMMQGLS-TWMKSMIVSA-N 2 2 328.497 1.451 20 0 EDADLP CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000565549727 321191246 /nfs/dbraw/zinc/19/12/46/321191246.db2.gz PBOCQZBMMMQGLS-TWMKSMIVSA-N 2 2 328.497 1.451 20 0 EDADLP Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3[nH+]ccn3C)CC2)nc1 ZINC000566048808 321211731 /nfs/dbraw/zinc/21/17/31/321211731.db2.gz SIQYLXWVGBOXSC-UHFFFAOYSA-N 2 2 342.447 1.270 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC1C2CC3CC(C2)CC1C3 ZINC000566414890 321228796 /nfs/dbraw/zinc/22/87/96/321228796.db2.gz VYPUJEMCRUGMFL-UHFFFAOYSA-N 2 2 343.475 1.473 20 0 EDADLP Cc1nn2c(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)c(C)nc2s1 ZINC000567871018 321263234 /nfs/dbraw/zinc/26/32/34/321263234.db2.gz IQSZGWHPPGCRAH-CYBMUJFWSA-N 2 2 335.477 1.595 20 0 EDADLP Cc1nn2c(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)c(C)nc2s1 ZINC000567871018 321263236 /nfs/dbraw/zinc/26/32/36/321263236.db2.gz IQSZGWHPPGCRAH-CYBMUJFWSA-N 2 2 335.477 1.595 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000568294024 321287041 /nfs/dbraw/zinc/28/70/41/321287041.db2.gz IXGMEAVFJBMEMD-STQMWFEESA-N 2 2 338.402 1.590 20 0 EDADLP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000568294024 321287042 /nfs/dbraw/zinc/28/70/42/321287042.db2.gz IXGMEAVFJBMEMD-STQMWFEESA-N 2 2 338.402 1.590 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1C ZINC000568588118 321297859 /nfs/dbraw/zinc/29/78/59/321297859.db2.gz FVELBUNUQRLBCX-JSGCOSHPSA-N 2 2 329.404 1.214 20 0 EDADLP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1C ZINC000568588118 321297860 /nfs/dbraw/zinc/29/78/60/321297860.db2.gz FVELBUNUQRLBCX-JSGCOSHPSA-N 2 2 329.404 1.214 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000569083082 321317393 /nfs/dbraw/zinc/31/73/93/321317393.db2.gz QTMCZHLBOAFXGS-UHFFFAOYSA-N 2 2 329.404 1.121 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC000569834484 321330200 /nfs/dbraw/zinc/33/02/00/321330200.db2.gz XEXNCIZZDAFLCS-WUJZJPHMSA-N 2 2 342.443 1.371 20 0 EDADLP O=C1NC(=O)C2(CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC000569834484 321330201 /nfs/dbraw/zinc/33/02/01/321330201.db2.gz XEXNCIZZDAFLCS-WUJZJPHMSA-N 2 2 342.443 1.371 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000570022605 321334191 /nfs/dbraw/zinc/33/41/91/321334191.db2.gz UUOPEUMVHHOAPJ-MRXNPFEDSA-N 2 2 349.479 1.342 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000570022605 321334192 /nfs/dbraw/zinc/33/41/92/321334192.db2.gz UUOPEUMVHHOAPJ-MRXNPFEDSA-N 2 2 349.479 1.342 20 0 EDADLP COc1cc(F)c(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1OC ZINC000570520534 321344891 /nfs/dbraw/zinc/34/48/91/321344891.db2.gz YBHJEEXCZJCGFY-UHFFFAOYSA-N 2 2 326.412 1.779 20 0 EDADLP CCS(=O)(=O)NCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289362633 444118149 /nfs/dbraw/zinc/11/81/49/444118149.db2.gz OHWIRUAZCZPGHI-UHFFFAOYSA-N 2 2 348.472 1.296 20 0 EDADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000570925485 321363464 /nfs/dbraw/zinc/36/34/64/321363464.db2.gz BRIYLILVFHICOO-BLLLJJGKSA-N 2 2 345.472 1.880 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000571194181 321375530 /nfs/dbraw/zinc/37/55/30/321375530.db2.gz IKVCAKXETCPJAU-RDBSUJKOSA-N 2 2 337.851 1.802 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)[C@H](C)N3CC[NH+](C)CC3)CC2)c1 ZINC000299658022 444108030 /nfs/dbraw/zinc/10/80/30/444108030.db2.gz NDHNCXCKIBGAKE-SFHVURJKSA-N 2 2 344.503 1.275 20 0 EDADLP C[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000285804997 444113517 /nfs/dbraw/zinc/11/35/17/444113517.db2.gz QWOSZUIIDBCCCB-GOSISDBHSA-N 2 2 345.487 1.483 20 0 EDADLP C[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000285804997 444113519 /nfs/dbraw/zinc/11/35/19/444113519.db2.gz QWOSZUIIDBCCCB-GOSISDBHSA-N 2 2 345.487 1.483 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000285894849 444144925 /nfs/dbraw/zinc/14/49/25/444144925.db2.gz HFUXNDLJCWMSKK-HRCADAONSA-N 2 2 349.479 1.139 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000285894849 444144928 /nfs/dbraw/zinc/14/49/28/444144928.db2.gz HFUXNDLJCWMSKK-HRCADAONSA-N 2 2 349.479 1.139 20 0 EDADLP CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000294824092 444146801 /nfs/dbraw/zinc/14/68/01/444146801.db2.gz PGQVRLUPHUGRCN-HNNXBMFYSA-N 2 2 329.404 1.930 20 0 EDADLP CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000294824092 444146806 /nfs/dbraw/zinc/14/68/06/444146806.db2.gz PGQVRLUPHUGRCN-HNNXBMFYSA-N 2 2 329.404 1.930 20 0 EDADLP NC(=O)CC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285938271 444158119 /nfs/dbraw/zinc/15/81/19/444158119.db2.gz JFBVHWKFVOKGLN-UHFFFAOYSA-N 2 2 344.503 1.786 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1cc(N3CCC[C@@H](CO)C3)nc[nH+]1)C2 ZINC000302624375 444218099 /nfs/dbraw/zinc/21/80/99/444218099.db2.gz FEQZNYHKWXSUCY-CABCVRRESA-N 2 2 342.447 1.617 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](Nc1cc(N3CCC[C@@H](CO)C3)[nH+]cn1)C2 ZINC000302624375 444218101 /nfs/dbraw/zinc/21/81/01/444218101.db2.gz FEQZNYHKWXSUCY-CABCVRRESA-N 2 2 342.447 1.617 20 0 EDADLP Cc1ccccc1-n1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)nn1 ZINC000289597413 444179099 /nfs/dbraw/zinc/17/90/99/444179099.db2.gz DCWJKTYIZOYHIF-KRWDZBQOSA-N 2 2 342.447 1.005 20 0 EDADLP Cc1ccccc1-n1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)nn1 ZINC000289597413 444179102 /nfs/dbraw/zinc/17/91/02/444179102.db2.gz DCWJKTYIZOYHIF-KRWDZBQOSA-N 2 2 342.447 1.005 20 0 EDADLP Cc1ccccc1-n1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000289604498 444180122 /nfs/dbraw/zinc/18/01/22/444180122.db2.gz DNXKAFDNXSFTPY-MRXNPFEDSA-N 2 2 328.464 1.301 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000302083901 444203864 /nfs/dbraw/zinc/20/38/64/444203864.db2.gz DHMSUWMFZQUISK-HOTGVXAUSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000302083901 444203866 /nfs/dbraw/zinc/20/38/66/444203866.db2.gz DHMSUWMFZQUISK-HOTGVXAUSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@H+](C)C[C@@H]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302083901 444203868 /nfs/dbraw/zinc/20/38/68/444203868.db2.gz DHMSUWMFZQUISK-HOTGVXAUSA-N 2 2 333.480 1.606 20 0 EDADLP CC[N@@H+](C)C[C@@H]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302083901 444203870 /nfs/dbraw/zinc/20/38/70/444203870.db2.gz DHMSUWMFZQUISK-HOTGVXAUSA-N 2 2 333.480 1.606 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000302095091 444203949 /nfs/dbraw/zinc/20/39/49/444203949.db2.gz IPJVKEHCJFLHQP-SJORKVTESA-N 2 2 345.491 1.892 20 0 EDADLP OC[C@H]1CCCCN1c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000302095085 444204320 /nfs/dbraw/zinc/20/43/20/444204320.db2.gz IPJVKEHCJFLHQP-DLBZAZTESA-N 2 2 345.491 1.892 20 0 EDADLP Cc1cc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000296731320 444250900 /nfs/dbraw/zinc/25/09/00/444250900.db2.gz CHHQWDZPHHOAQL-AWEZNQCLSA-N 2 2 330.436 1.400 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000302889200 444230074 /nfs/dbraw/zinc/23/00/74/444230074.db2.gz NCFQAAAYSFVTIV-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302889200 444230076 /nfs/dbraw/zinc/23/00/76/444230076.db2.gz NCFQAAAYSFVTIV-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000302889200 444230078 /nfs/dbraw/zinc/23/00/78/444230078.db2.gz NCFQAAAYSFVTIV-CVEARBPZSA-N 2 2 333.480 1.606 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302918423 444231819 /nfs/dbraw/zinc/23/18/19/444231819.db2.gz XRONUSTZAJDXOO-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000302918423 444231821 /nfs/dbraw/zinc/23/18/21/444231821.db2.gz XRONUSTZAJDXOO-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@@H+]1CC[C@@H](CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000302918423 444231822 /nfs/dbraw/zinc/23/18/22/444231822.db2.gz XRONUSTZAJDXOO-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP CCC[N@H+]1CC[C@@H](CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)C1 ZINC000302918423 444231824 /nfs/dbraw/zinc/23/18/24/444231824.db2.gz XRONUSTZAJDXOO-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000303108110 444234051 /nfs/dbraw/zinc/23/40/51/444234051.db2.gz HGZGHLIEKBEKHJ-HKUYNNGSSA-N 2 2 348.487 1.920 20 0 EDADLP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000303108110 444234053 /nfs/dbraw/zinc/23/40/53/444234053.db2.gz HGZGHLIEKBEKHJ-HKUYNNGSSA-N 2 2 348.487 1.920 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000290107272 444242761 /nfs/dbraw/zinc/24/27/61/444242761.db2.gz YDRZFVWAXIYPNJ-WBVHZDCISA-N 2 2 349.450 1.867 20 0 EDADLP Cc1noc(CC[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000577364929 321645557 /nfs/dbraw/zinc/64/55/57/321645557.db2.gz IQZMZNSLNXKYOO-CQSZACIVSA-N 2 2 329.404 1.538 20 0 EDADLP Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cn2cc[nH+]c12 ZINC000297102346 444274787 /nfs/dbraw/zinc/27/47/87/444274787.db2.gz WLCORIFFMWYZPT-CYBMUJFWSA-N 2 2 331.420 1.733 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc(N2CCCC2)[nH+]1 ZINC000290797605 444324470 /nfs/dbraw/zinc/32/44/70/444324470.db2.gz OTFVROWGTQCQTL-INIZCTEOSA-N 2 2 347.463 1.120 20 0 EDADLP Cc1cc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc(N2CCCC2)[nH+]1 ZINC000290797605 444324471 /nfs/dbraw/zinc/32/44/71/444324471.db2.gz OTFVROWGTQCQTL-INIZCTEOSA-N 2 2 347.463 1.120 20 0 EDADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)C1 ZINC000297846711 444340976 /nfs/dbraw/zinc/34/09/76/444340976.db2.gz HHPKIXBDTQOIQX-GOSISDBHSA-N 2 2 327.432 1.962 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CCSC1 ZINC000339976310 444346934 /nfs/dbraw/zinc/34/69/34/444346934.db2.gz HOQUKJHHIAHLMM-DLBZAZTESA-N 2 2 333.501 1.939 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CCSC1 ZINC000339976310 444346937 /nfs/dbraw/zinc/34/69/37/444346937.db2.gz HOQUKJHHIAHLMM-DLBZAZTESA-N 2 2 333.501 1.939 20 0 EDADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1CCSC1 ZINC000339976310 444346941 /nfs/dbraw/zinc/34/69/41/444346941.db2.gz HOQUKJHHIAHLMM-DLBZAZTESA-N 2 2 333.501 1.939 20 0 EDADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1CCSC1 ZINC000339976310 444346945 /nfs/dbraw/zinc/34/69/45/444346945.db2.gz HOQUKJHHIAHLMM-DLBZAZTESA-N 2 2 333.501 1.939 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000297899243 444351828 /nfs/dbraw/zinc/35/18/28/444351828.db2.gz SFBOGCDZUTWEHO-SFHVURJKSA-N 2 2 342.443 1.690 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCCC[NH2+]1 ZINC000325497050 444366798 /nfs/dbraw/zinc/36/67/98/444366798.db2.gz NITMLFPHAIQQCR-GOSISDBHSA-N 2 2 331.460 1.667 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000340476478 444393398 /nfs/dbraw/zinc/39/33/98/444393398.db2.gz QNCYSAOSRCAWBC-YPMHNXCESA-N 2 2 340.265 1.826 20 0 EDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000340476478 444393402 /nfs/dbraw/zinc/39/34/02/444393402.db2.gz QNCYSAOSRCAWBC-YPMHNXCESA-N 2 2 340.265 1.826 20 0 EDADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccncc1F ZINC000337950011 444468601 /nfs/dbraw/zinc/46/86/01/444468601.db2.gz KRFQOVYUFZQLLK-CYBMUJFWSA-N 2 2 330.411 1.613 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000579712314 321964746 /nfs/dbraw/zinc/96/47/46/321964746.db2.gz RLWXOUORFUMFLY-OAHLLOKOSA-N 2 2 342.443 1.559 20 0 EDADLP [NH3+][C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000580053228 322002051 /nfs/dbraw/zinc/00/20/51/322002051.db2.gz IVSQQCMERLGUKL-IAGOWNOFSA-N 2 2 332.448 1.193 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000580071352 322005410 /nfs/dbraw/zinc/00/54/10/322005410.db2.gz OSZSUHYLTRZIOJ-GJZGRUSLSA-N 2 2 334.464 1.648 20 0 EDADLP COc1ccccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000580193360 322021556 /nfs/dbraw/zinc/02/15/56/322021556.db2.gz YCEKCKNZVSQHQZ-AWEZNQCLSA-N 2 2 333.432 1.321 20 0 EDADLP COc1ccccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000580193360 322021557 /nfs/dbraw/zinc/02/15/57/322021557.db2.gz YCEKCKNZVSQHQZ-AWEZNQCLSA-N 2 2 333.432 1.321 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000580336242 322039732 /nfs/dbraw/zinc/03/97/32/322039732.db2.gz DVDOSXRNPRDWMM-GPMSIDNRSA-N 2 2 342.487 1.893 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000580336242 322039733 /nfs/dbraw/zinc/03/97/33/322039733.db2.gz DVDOSXRNPRDWMM-GPMSIDNRSA-N 2 2 342.487 1.893 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(=O)[C@H](C)C3)CC2)CC1 ZINC000580448038 322053088 /nfs/dbraw/zinc/05/30/88/322053088.db2.gz YVRUNUAZGPUZAV-OAHLLOKOSA-N 2 2 335.492 1.620 20 0 EDADLP CCN(CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccc(C)c1 ZINC000580941521 322114485 /nfs/dbraw/zinc/11/44/85/322114485.db2.gz SNGVAVSXFKVASZ-KRWDZBQOSA-N 2 2 333.480 1.106 20 0 EDADLP CCN(CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(C)c1 ZINC000580941521 322114489 /nfs/dbraw/zinc/11/44/89/322114489.db2.gz SNGVAVSXFKVASZ-KRWDZBQOSA-N 2 2 333.480 1.106 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000581002711 322123151 /nfs/dbraw/zinc/12/31/51/322123151.db2.gz KAQNMSWCVZJAKC-LPHOPBHVSA-N 2 2 329.444 1.182 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000581002711 322123153 /nfs/dbraw/zinc/12/31/53/322123153.db2.gz KAQNMSWCVZJAKC-LPHOPBHVSA-N 2 2 329.444 1.182 20 0 EDADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000581375235 322170675 /nfs/dbraw/zinc/17/06/75/322170675.db2.gz UTVVHKIJYMIQDT-GUYCJALGSA-N 2 2 327.419 1.614 20 0 EDADLP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000581375235 322170678 /nfs/dbraw/zinc/17/06/78/322170678.db2.gz UTVVHKIJYMIQDT-GUYCJALGSA-N 2 2 327.419 1.614 20 0 EDADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000581407814 322172896 /nfs/dbraw/zinc/17/28/96/322172896.db2.gz GLWLXJZVIAJRBP-QGZVFWFLSA-N 2 2 342.443 1.672 20 0 EDADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000581407814 322172897 /nfs/dbraw/zinc/17/28/97/322172897.db2.gz GLWLXJZVIAJRBP-QGZVFWFLSA-N 2 2 342.443 1.672 20 0 EDADLP COC[C@]1(CNC(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CCC[NH2+]1 ZINC000581418856 322175022 /nfs/dbraw/zinc/17/50/22/322175022.db2.gz FYRUKCFBIDDORS-RHSMWYFYSA-N 2 2 335.452 1.137 20 0 EDADLP CCc1ccc([C@@H](C[NH2+]CCC(=O)NC(N)=O)[NH+](CC)CC)cc1 ZINC000581603030 322197456 /nfs/dbraw/zinc/19/74/56/322197456.db2.gz HHKGGAFKERSZNT-MRXNPFEDSA-N 2 2 334.464 1.807 20 0 EDADLP Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342134613 444526818 /nfs/dbraw/zinc/52/68/18/444526818.db2.gz KRCHNVCFRQUKGA-AWEZNQCLSA-N 2 2 332.448 1.218 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)NCCc2cnn(-c3ccccc3)c2)CCC1 ZINC000342143351 444531450 /nfs/dbraw/zinc/53/14/50/444531450.db2.gz SPSIQKSHVFBTSE-UHFFFAOYSA-N 2 2 327.432 1.002 20 0 EDADLP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000343766949 444576438 /nfs/dbraw/zinc/57/64/38/444576438.db2.gz PMBHTGTUIJOUBP-SFHVURJKSA-N 2 2 349.523 1.897 20 0 EDADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338154656 444539324 /nfs/dbraw/zinc/53/93/24/444539324.db2.gz LGIWMILOCQQKOX-IRXDYDNUSA-N 2 2 339.524 1.972 20 0 EDADLP C[C@H]1C[N@H+](CC[S@@](=O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000343717872 444542773 /nfs/dbraw/zinc/54/27/73/444542773.db2.gz CBYQZCDMICOHCR-BXKMTCNYSA-N 2 2 349.544 1.895 20 0 EDADLP C[C@H]1C[N@@H+](CC[S@@](=O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000343717872 444542774 /nfs/dbraw/zinc/54/27/74/444542774.db2.gz CBYQZCDMICOHCR-BXKMTCNYSA-N 2 2 349.544 1.895 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338180389 444552080 /nfs/dbraw/zinc/55/20/80/444552080.db2.gz HUXXGAIOPPGDGN-RTBURBONSA-N 2 2 325.460 1.596 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338180389 444552083 /nfs/dbraw/zinc/55/20/83/444552083.db2.gz HUXXGAIOPPGDGN-RTBURBONSA-N 2 2 325.460 1.596 20 0 EDADLP C[C@@H]1COCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000338248116 444587337 /nfs/dbraw/zinc/58/73/37/444587337.db2.gz COIDWCWCOMKANK-KRWDZBQOSA-N 2 2 331.460 1.299 20 0 EDADLP C[C@@H]1COCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000338248116 444587341 /nfs/dbraw/zinc/58/73/41/444587341.db2.gz COIDWCWCOMKANK-KRWDZBQOSA-N 2 2 331.460 1.299 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000329522223 444614375 /nfs/dbraw/zinc/61/43/75/444614375.db2.gz GADKASLKANMBRP-GOEBONIOSA-N 2 2 332.448 1.379 20 0 EDADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000329522223 444614377 /nfs/dbraw/zinc/61/43/77/444614377.db2.gz GADKASLKANMBRP-GOEBONIOSA-N 2 2 332.448 1.379 20 0 EDADLP COCC[N@H+](C)CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342368416 444659448 /nfs/dbraw/zinc/65/94/48/444659448.db2.gz HCXLVFDKPZMPRA-MRXNPFEDSA-N 2 2 330.432 1.626 20 0 EDADLP COCC[N@@H+](C)CCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000342368416 444659452 /nfs/dbraw/zinc/65/94/52/444659452.db2.gz HCXLVFDKPZMPRA-MRXNPFEDSA-N 2 2 330.432 1.626 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919530 444668456 /nfs/dbraw/zinc/66/84/56/444668456.db2.gz FXXKNPVNHKYTAH-IXDOHACOSA-N 2 2 325.497 1.676 20 0 EDADLP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919530 444668460 /nfs/dbraw/zinc/66/84/60/444668460.db2.gz FXXKNPVNHKYTAH-IXDOHACOSA-N 2 2 325.497 1.676 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329665869 444671943 /nfs/dbraw/zinc/67/19/43/444671943.db2.gz KQJZLNUFZLPSBK-ROUUACIJSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000329665869 444671949 /nfs/dbraw/zinc/67/19/49/444671949.db2.gz KQJZLNUFZLPSBK-ROUUACIJSA-N 2 2 328.416 1.956 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[nH+]cn1 ZINC000333895186 444711207 /nfs/dbraw/zinc/71/12/07/444711207.db2.gz YCOCVGDFKVYUIZ-ULQDDVLXSA-N 2 2 345.491 1.654 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc[nH+]1 ZINC000333895186 444711211 /nfs/dbraw/zinc/71/12/11/444711211.db2.gz YCOCVGDFKVYUIZ-ULQDDVLXSA-N 2 2 345.491 1.654 20 0 EDADLP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000333897394 444712514 /nfs/dbraw/zinc/71/25/14/444712514.db2.gz IEDOBZNYVAQZLZ-HRCADAONSA-N 2 2 329.448 1.301 20 0 EDADLP CCCN(CCC(=O)N1CC[NH+](C)CC1)CC[NH+]1CCCCCC1 ZINC000344040294 444744939 /nfs/dbraw/zinc/74/49/39/444744939.db2.gz HEIBULBECVDBOU-UHFFFAOYSA-N 2 2 338.540 1.739 20 0 EDADLP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCCCCC1 ZINC000344040294 444744941 /nfs/dbraw/zinc/74/49/41/444744941.db2.gz HEIBULBECVDBOU-UHFFFAOYSA-N 2 2 338.540 1.739 20 0 EDADLP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCCCCC1 ZINC000344040294 444744945 /nfs/dbraw/zinc/74/49/45/444744945.db2.gz HEIBULBECVDBOU-UHFFFAOYSA-N 2 2 338.540 1.739 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C[C@H]1CC ZINC000342575109 444750652 /nfs/dbraw/zinc/75/06/52/444750652.db2.gz XZOOEHYIWMOALP-HZPDHXFCSA-N 2 2 337.468 1.414 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C[C@H]1CC ZINC000342575109 444750656 /nfs/dbraw/zinc/75/06/56/444750656.db2.gz XZOOEHYIWMOALP-HZPDHXFCSA-N 2 2 337.468 1.414 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342580657 444754526 /nfs/dbraw/zinc/75/45/26/444754526.db2.gz FQPDMAFBEXYFDO-WZGPROSRSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342580657 444754530 /nfs/dbraw/zinc/75/45/30/444754530.db2.gz FQPDMAFBEXYFDO-WZGPROSRSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342580657 444754532 /nfs/dbraw/zinc/75/45/32/444754532.db2.gz FQPDMAFBEXYFDO-WZGPROSRSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342580657 444754536 /nfs/dbraw/zinc/75/45/36/444754536.db2.gz FQPDMAFBEXYFDO-WZGPROSRSA-N 2 2 343.471 1.629 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCC[NH+]3CCCCCC3)nc[nH+]2)C1 ZINC000334055179 444764088 /nfs/dbraw/zinc/76/40/88/444764088.db2.gz UOTGXMZWCSCNHF-HOTGVXAUSA-N 2 2 333.480 1.972 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccnc(C[NH3+])c3)CC2)cn1 ZINC000344099259 444780511 /nfs/dbraw/zinc/78/05/11/444780511.db2.gz DYTKOEVIAGRJIS-UHFFFAOYSA-N 2 2 342.447 1.105 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(C(=O)c3ccnc(C[NH3+])c3)CC2)cn1 ZINC000344099259 444780513 /nfs/dbraw/zinc/78/05/13/444780513.db2.gz DYTKOEVIAGRJIS-UHFFFAOYSA-N 2 2 342.447 1.105 20 0 EDADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000342699136 444821305 /nfs/dbraw/zinc/82/13/05/444821305.db2.gz VBCBJEKETHKELE-RYQLBKOJSA-N 2 2 331.460 1.564 20 0 EDADLP Cc1ncsc1CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336870745 444814720 /nfs/dbraw/zinc/81/47/20/444814720.db2.gz KGUXTVKEPWBUSL-UHFFFAOYSA-N 2 2 332.477 1.672 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nc(CC(F)(F)F)no1 ZINC000336872911 444818619 /nfs/dbraw/zinc/81/86/19/444818619.db2.gz RIXHYABZVSFEPA-UHFFFAOYSA-N 2 2 335.374 1.244 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc(CC(F)(F)F)no1 ZINC000336872911 444818620 /nfs/dbraw/zinc/81/86/20/444818620.db2.gz RIXHYABZVSFEPA-UHFFFAOYSA-N 2 2 335.374 1.244 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)C2=O)n1 ZINC000336894914 444838778 /nfs/dbraw/zinc/83/87/78/444838778.db2.gz XYICCPKXFKMLGZ-IRXDYDNUSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)C2=O)n1 ZINC000336894914 444838779 /nfs/dbraw/zinc/83/87/79/444838779.db2.gz XYICCPKXFKMLGZ-IRXDYDNUSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1ccc(N2CCC[C@H]([NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)C2=O)n1 ZINC000336894914 444838781 /nfs/dbraw/zinc/83/87/81/444838781.db2.gz XYICCPKXFKMLGZ-IRXDYDNUSA-N 2 2 345.491 1.579 20 0 EDADLP Cn1ccc(N2CCC[C@H]([NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)C2=O)n1 ZINC000336894914 444838784 /nfs/dbraw/zinc/83/87/84/444838784.db2.gz XYICCPKXFKMLGZ-IRXDYDNUSA-N 2 2 345.491 1.579 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)c1ccc(F)cc1 ZINC000342737539 444841317 /nfs/dbraw/zinc/84/13/17/444841317.db2.gz NCMOZLWKASFLPJ-ZIAGYGMSSA-N 2 2 329.366 1.789 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)no1 ZINC000342746511 444845886 /nfs/dbraw/zinc/84/58/86/444845886.db2.gz UPCGMTNYHOOUBI-UHFFFAOYSA-N 2 2 328.416 1.693 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)no1 ZINC000342746511 444845888 /nfs/dbraw/zinc/84/58/88/444845888.db2.gz UPCGMTNYHOOUBI-UHFFFAOYSA-N 2 2 328.416 1.693 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000341561410 444895750 /nfs/dbraw/zinc/89/57/50/444895750.db2.gz GEOJUWBEPPUXIB-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000341561410 444895752 /nfs/dbraw/zinc/89/57/52/444895752.db2.gz GEOJUWBEPPUXIB-IRXDYDNUSA-N 2 2 340.512 1.613 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000341579447 444905336 /nfs/dbraw/zinc/90/53/36/444905336.db2.gz FAQWPPYUKOKENV-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000341579447 444905340 /nfs/dbraw/zinc/90/53/40/444905340.db2.gz FAQWPPYUKOKENV-ZACQAIPSSA-N 2 2 338.496 1.221 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)[N@H+](C)C1 ZINC000344508782 445022659 /nfs/dbraw/zinc/02/26/59/445022659.db2.gz JVOCHGJDLDZDAV-HZMVEIRTSA-N 2 2 346.475 1.331 20 0 EDADLP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CN(c3cccc[nH+]3)C[C@@H]2C)[N@@H+](C)C1 ZINC000344508782 445022661 /nfs/dbraw/zinc/02/26/61/445022661.db2.gz JVOCHGJDLDZDAV-HZMVEIRTSA-N 2 2 346.475 1.331 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](c2nccn2C)C2CCOCC2)CC1 ZINC000344513636 445026173 /nfs/dbraw/zinc/02/61/73/445026173.db2.gz IRJLLQUGFYHLES-KRWDZBQOSA-N 2 2 336.480 1.588 20 0 EDADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC000337248853 445002973 /nfs/dbraw/zinc/00/29/73/445002973.db2.gz JADLULVYPYBQTR-UHFFFAOYSA-N 2 2 337.420 1.980 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337276440 445012797 /nfs/dbraw/zinc/01/27/97/445012797.db2.gz QWWYFSIUXHTHCN-MRXNPFEDSA-N 2 2 339.480 1.348 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337276440 445012800 /nfs/dbraw/zinc/01/28/00/445012800.db2.gz QWWYFSIUXHTHCN-MRXNPFEDSA-N 2 2 339.480 1.348 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000343026614 445014568 /nfs/dbraw/zinc/01/45/68/445014568.db2.gz KDJUJDADYGHFID-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000343026614 445014570 /nfs/dbraw/zinc/01/45/70/445014570.db2.gz KDJUJDADYGHFID-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000343026614 445014572 /nfs/dbraw/zinc/01/45/72/445014572.db2.gz KDJUJDADYGHFID-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP C[C@H]1CCCC[NH+]1CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000343026614 445014574 /nfs/dbraw/zinc/01/45/74/445014574.db2.gz KDJUJDADYGHFID-HNNXBMFYSA-N 2 2 326.485 1.271 20 0 EDADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000337399753 445063024 /nfs/dbraw/zinc/06/30/24/445063024.db2.gz CRURICQDUUEYRX-ZIAGYGMSSA-N 2 2 326.437 1.946 20 0 EDADLP CS(=O)(=O)c1ccc(F)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000337399753 445063026 /nfs/dbraw/zinc/06/30/26/445063026.db2.gz CRURICQDUUEYRX-ZIAGYGMSSA-N 2 2 326.437 1.946 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000337340590 445039422 /nfs/dbraw/zinc/03/94/22/445039422.db2.gz TYPONEZSYPZFQW-HNNXBMFYSA-N 2 2 334.464 1.268 20 0 EDADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n(C(C)(C)C)n1 ZINC000342106128 445174914 /nfs/dbraw/zinc/17/49/14/445174914.db2.gz OWOAGMWIIAYJLD-SOUVJXGZSA-N 2 2 333.480 1.944 20 0 EDADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n(C(C)(C)C)n1 ZINC000342106128 445174922 /nfs/dbraw/zinc/17/49/22/445174922.db2.gz OWOAGMWIIAYJLD-SOUVJXGZSA-N 2 2 333.480 1.944 20 0 EDADLP CN(C)c1ncc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)s1 ZINC000343381619 445213205 /nfs/dbraw/zinc/21/32/05/445213205.db2.gz DFKQRYKZTSHYDE-BXUZGUMPSA-N 2 2 334.449 1.052 20 0 EDADLP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC[NH2+]CC1 ZINC000347025570 445229765 /nfs/dbraw/zinc/22/97/65/445229765.db2.gz SQBHUGDFBGZGDG-UHFFFAOYSA-N 3 2 332.496 1.192 20 0 EDADLP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC[NH2+]CC1 ZINC000347025570 445229767 /nfs/dbraw/zinc/22/97/67/445229767.db2.gz SQBHUGDFBGZGDG-UHFFFAOYSA-N 3 2 332.496 1.192 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000346827202 445225967 /nfs/dbraw/zinc/22/59/67/445225967.db2.gz FZYRCMHSCUSIDI-FGTMMUONSA-N 2 2 336.524 1.108 20 0 EDADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(C[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000346827202 445225968 /nfs/dbraw/zinc/22/59/68/445225968.db2.gz FZYRCMHSCUSIDI-FGTMMUONSA-N 2 2 336.524 1.108 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000343532667 445239663 /nfs/dbraw/zinc/23/96/63/445239663.db2.gz FDQWSZALOFBLSF-UHFFFAOYSA-N 2 2 339.430 1.993 20 0 EDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[NH+](C)C(C)C)CC2 ZINC000343522361 445238136 /nfs/dbraw/zinc/23/81/36/445238136.db2.gz RJUOHQDCVYOGSN-UHFFFAOYSA-N 2 2 349.475 1.518 20 0 EDADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)C[N@H+](C)C(C)C)CC2 ZINC000343522361 445238137 /nfs/dbraw/zinc/23/81/37/445238137.db2.gz RJUOHQDCVYOGSN-UHFFFAOYSA-N 2 2 349.475 1.518 20 0 EDADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)C[N@@H+](C)C(C)C)CC2 ZINC000343522361 445238138 /nfs/dbraw/zinc/23/81/38/445238138.db2.gz RJUOHQDCVYOGSN-UHFFFAOYSA-N 2 2 349.475 1.518 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000343559229 445243956 /nfs/dbraw/zinc/24/39/56/445243956.db2.gz BZFATUDYCSZEAU-LZLYRXPVSA-N 2 2 334.464 1.152 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000343559229 445243957 /nfs/dbraw/zinc/24/39/57/445243957.db2.gz BZFATUDYCSZEAU-LZLYRXPVSA-N 2 2 334.464 1.152 20 0 EDADLP CN(CC1CC1)C(=O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348312931 445253349 /nfs/dbraw/zinc/25/33/49/445253349.db2.gz GBCUNBSTSGRVLU-OALUTQOASA-N 2 2 327.472 1.919 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348343809 445262715 /nfs/dbraw/zinc/26/27/15/445262715.db2.gz DTIFTPHLRSCAFH-HUBLWGQQSA-N 2 2 341.415 1.660 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)s1 ZINC000348233022 445323822 /nfs/dbraw/zinc/32/38/22/445323822.db2.gz SDWDXAGPQDNOQP-QWHCGFSZSA-N 2 2 346.522 1.155 20 0 EDADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000343633320 445273217 /nfs/dbraw/zinc/27/32/17/445273217.db2.gz DRFMYXVGHRFKFL-SMDDNHRTSA-N 2 2 340.265 1.719 20 0 EDADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000343633320 445273218 /nfs/dbraw/zinc/27/32/18/445273218.db2.gz DRFMYXVGHRFKFL-SMDDNHRTSA-N 2 2 340.265 1.719 20 0 EDADLP COc1nc(C)cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000354578431 445301345 /nfs/dbraw/zinc/30/13/45/445301345.db2.gz NQEXIFKDBBRUAA-UHFFFAOYSA-N 2 2 333.480 1.788 20 0 EDADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000354685793 445340516 /nfs/dbraw/zinc/34/05/16/445340516.db2.gz YMAUETHMYGVNHZ-OAHLLOKOSA-N 2 2 327.388 1.069 20 0 EDADLP Cc1ccc(CCC[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c[nH+]1 ZINC000354648516 445326464 /nfs/dbraw/zinc/32/64/64/445326464.db2.gz NHJMBNQBVZBZTM-QGZVFWFLSA-N 2 2 341.459 1.837 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000357106478 445432193 /nfs/dbraw/zinc/43/21/93/445432193.db2.gz AMEIKBSENIAJOM-SFHVURJKSA-N 2 2 337.508 1.870 20 0 EDADLP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000357106478 445432200 /nfs/dbraw/zinc/43/22/00/445432200.db2.gz AMEIKBSENIAJOM-SFHVURJKSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351951550 445395750 /nfs/dbraw/zinc/39/57/50/445395750.db2.gz LJPHTALHMUQKSV-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000351951550 445395754 /nfs/dbraw/zinc/39/57/54/445395754.db2.gz LJPHTALHMUQKSV-ZWKOTPCHSA-N 2 2 344.503 1.355 20 0 EDADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000351953463 445397125 /nfs/dbraw/zinc/39/71/25/445397125.db2.gz HABPHDDILYNBKF-LSDHHAIUSA-N 2 2 339.459 1.131 20 0 EDADLP CC(C)CC(=O)NCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000357186307 445472518 /nfs/dbraw/zinc/47/25/18/445472518.db2.gz HVQVGBQIBKYCGP-UHFFFAOYSA-N 2 2 340.512 1.023 20 0 EDADLP CC(C)CC(=O)NCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000357186307 445472523 /nfs/dbraw/zinc/47/25/23/445472523.db2.gz HVQVGBQIBKYCGP-UHFFFAOYSA-N 2 2 340.512 1.023 20 0 EDADLP CC1CCN(C(=O)C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000362641078 445475024 /nfs/dbraw/zinc/47/50/24/445475024.db2.gz OFPIWFPBDNBQIX-KRWDZBQOSA-N 2 2 336.524 1.345 20 0 EDADLP CC1CCN(C(=O)C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000362641078 445475026 /nfs/dbraw/zinc/47/50/26/445475026.db2.gz OFPIWFPBDNBQIX-KRWDZBQOSA-N 2 2 336.524 1.345 20 0 EDADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000348911798 445438622 /nfs/dbraw/zinc/43/86/22/445438622.db2.gz NOEXVBVQEBZIMV-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000348911798 445438624 /nfs/dbraw/zinc/43/86/24/445438624.db2.gz NOEXVBVQEBZIMV-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000348911798 445438625 /nfs/dbraw/zinc/43/86/25/445438625.db2.gz NOEXVBVQEBZIMV-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP CCCC[NH+]1CCOC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000348911798 445438626 /nfs/dbraw/zinc/43/86/26/445438626.db2.gz NOEXVBVQEBZIMV-IRXDYDNUSA-N 2 2 325.497 1.724 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000362557204 445438699 /nfs/dbraw/zinc/43/86/99/445438699.db2.gz AZLAHSUWMNJUIV-QZTJIDSGSA-N 2 2 331.460 1.516 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000362557204 445438701 /nfs/dbraw/zinc/43/87/01/445438701.db2.gz AZLAHSUWMNJUIV-QZTJIDSGSA-N 2 2 331.460 1.516 20 0 EDADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348928010 445443676 /nfs/dbraw/zinc/44/36/76/445443676.db2.gz OKPAUOSTKLALFD-HZPDHXFCSA-N 2 2 338.883 1.305 20 0 EDADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348928010 445443680 /nfs/dbraw/zinc/44/36/80/445443680.db2.gz OKPAUOSTKLALFD-HZPDHXFCSA-N 2 2 338.883 1.305 20 0 EDADLP COC[C@H](CC(C)C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000359856459 445462209 /nfs/dbraw/zinc/46/22/09/445462209.db2.gz NZBQVTXJWSYCOS-KRWDZBQOSA-N 2 2 335.496 1.639 20 0 EDADLP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362677272 445494110 /nfs/dbraw/zinc/49/41/10/445494110.db2.gz XPGDTAMURMPXFE-MRXNPFEDSA-N 2 2 333.480 1.306 20 0 EDADLP CCCn1nc(C)c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1C ZINC000362677272 445494115 /nfs/dbraw/zinc/49/41/15/445494115.db2.gz XPGDTAMURMPXFE-MRXNPFEDSA-N 2 2 333.480 1.306 20 0 EDADLP C[C@H](C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000357241229 445501159 /nfs/dbraw/zinc/50/11/59/445501159.db2.gz NAUYYODNVZCXHI-ZFWWWQNUSA-N 2 2 337.489 1.435 20 0 EDADLP CC1(C)CCC[N@H+](CCNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000357371777 445555595 /nfs/dbraw/zinc/55/55/95/445555595.db2.gz VVDUFZIZXTXLSF-QGZVFWFLSA-N 2 2 337.508 1.726 20 0 EDADLP CC1(C)CCC[N@@H+](CCNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000357371777 445555599 /nfs/dbraw/zinc/55/55/99/445555599.db2.gz VVDUFZIZXTXLSF-QGZVFWFLSA-N 2 2 337.508 1.726 20 0 EDADLP CC1(C)CCC[NH+](CCNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000357371777 445555603 /nfs/dbraw/zinc/55/56/03/445555603.db2.gz VVDUFZIZXTXLSF-QGZVFWFLSA-N 2 2 337.508 1.726 20 0 EDADLP CC1(C)CCC[NH+](CCNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000357371777 445555610 /nfs/dbraw/zinc/55/56/10/445555610.db2.gz VVDUFZIZXTXLSF-QGZVFWFLSA-N 2 2 337.508 1.726 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C1 ZINC000349448458 445589553 /nfs/dbraw/zinc/58/95/53/445589553.db2.gz GBEPZFMEMORTPL-MRXNPFEDSA-N 2 2 348.472 1.646 20 0 EDADLP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362824964 445567055 /nfs/dbraw/zinc/56/70/55/445567055.db2.gz DBASLDOHXOCZQD-CHWSQXEVSA-N 2 2 335.452 1.324 20 0 EDADLP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362824964 445567056 /nfs/dbraw/zinc/56/70/56/445567056.db2.gz DBASLDOHXOCZQD-CHWSQXEVSA-N 2 2 335.452 1.324 20 0 EDADLP CN(C)c1ccnc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362833522 445572780 /nfs/dbraw/zinc/57/27/80/445572780.db2.gz MFFWDOMCHVLSJW-AWEZNQCLSA-N 2 2 331.464 1.046 20 0 EDADLP CN(C)c1ccnc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000362833522 445572781 /nfs/dbraw/zinc/57/27/81/445572781.db2.gz MFFWDOMCHVLSJW-AWEZNQCLSA-N 2 2 331.464 1.046 20 0 EDADLP CC(C)CCc1noc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362838161 445574317 /nfs/dbraw/zinc/57/43/17/445574317.db2.gz NSLYFRNIPHZDMD-CQSZACIVSA-N 2 2 335.452 1.054 20 0 EDADLP CC(C)CCc1noc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362838161 445574318 /nfs/dbraw/zinc/57/43/18/445574318.db2.gz NSLYFRNIPHZDMD-CQSZACIVSA-N 2 2 335.452 1.054 20 0 EDADLP c1cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000353282040 445585441 /nfs/dbraw/zinc/58/54/41/445585441.db2.gz MUMOYTUURTWMLG-INIZCTEOSA-N 2 2 331.464 1.990 20 0 EDADLP c1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000353282040 445585445 /nfs/dbraw/zinc/58/54/45/445585445.db2.gz MUMOYTUURTWMLG-INIZCTEOSA-N 2 2 331.464 1.990 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)Nc1cncc(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000357321808 445547428 /nfs/dbraw/zinc/54/74/28/445547428.db2.gz BFLWPPYKPFUOSC-KBPBESRZSA-N 2 2 326.408 1.871 20 0 EDADLP COCC[NH+]1CCC([NH2+]CC(=O)N2CCCc3ccccc32)CC1 ZINC000360164697 445606146 /nfs/dbraw/zinc/60/61/46/445606146.db2.gz VPLZMKINMUKWRV-UHFFFAOYSA-N 2 2 331.460 1.666 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000362943243 445620129 /nfs/dbraw/zinc/62/01/29/445620129.db2.gz SXFYWFCMCCCHGN-KRWDZBQOSA-N 2 2 331.460 1.670 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C1 ZINC000362943243 445620136 /nfs/dbraw/zinc/62/01/36/445620136.db2.gz SXFYWFCMCCCHGN-KRWDZBQOSA-N 2 2 331.460 1.670 20 0 EDADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000356101845 445622051 /nfs/dbraw/zinc/62/20/51/445622051.db2.gz WBIKOCFVSIGPHF-UHFFFAOYSA-N 2 2 326.485 1.225 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000356134640 445639470 /nfs/dbraw/zinc/63/94/70/445639470.db2.gz SLVCITXDMOJPFP-UHFFFAOYSA-N 3 2 341.544 1.386 20 0 EDADLP CC[NH+](CC)CCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000356134640 445639471 /nfs/dbraw/zinc/63/94/71/445639471.db2.gz SLVCITXDMOJPFP-UHFFFAOYSA-N 3 2 341.544 1.386 20 0 EDADLP CC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000349459191 445593081 /nfs/dbraw/zinc/59/30/81/445593081.db2.gz XSWHFACDVFJVOM-UHFFFAOYSA-N 2 2 348.472 1.648 20 0 EDADLP CC[N@H+]1CCCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000349459191 445593084 /nfs/dbraw/zinc/59/30/84/445593084.db2.gz XSWHFACDVFJVOM-UHFFFAOYSA-N 2 2 348.472 1.648 20 0 EDADLP CC[C@H]1COCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360250108 445657144 /nfs/dbraw/zinc/65/71/44/445657144.db2.gz MFUAFQRSKWTYST-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000360250108 445657140 /nfs/dbraw/zinc/65/71/40/445657140.db2.gz MFUAFQRSKWTYST-SFHVURJKSA-N 2 2 331.460 1.442 20 0 EDADLP COc1cccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[NH+](C)C)c1 ZINC000363195703 445716904 /nfs/dbraw/zinc/71/69/04/445716904.db2.gz HWHTXAXRVRGRDS-WBVHZDCISA-N 2 2 342.443 1.873 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CC[C@H](CO)O3)sc2C1 ZINC000353705973 445717826 /nfs/dbraw/zinc/71/78/26/445717826.db2.gz OUIFNGYNDHRJSU-CHWSQXEVSA-N 2 2 325.478 1.539 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CC[C@H](CO)O3)sc2C1 ZINC000353705973 445717831 /nfs/dbraw/zinc/71/78/31/445717831.db2.gz OUIFNGYNDHRJSU-CHWSQXEVSA-N 2 2 325.478 1.539 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[S@](=O)[C@H](C)C2)CC1 ZINC000353824874 445772382 /nfs/dbraw/zinc/77/23/82/445772382.db2.gz NUGVLDLECBWWPH-MWTRTKDXSA-N 2 2 335.517 1.781 20 0 EDADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[S@](=O)[C@H](C)C2)CC1 ZINC000353824874 445772386 /nfs/dbraw/zinc/77/23/86/445772386.db2.gz NUGVLDLECBWWPH-MWTRTKDXSA-N 2 2 335.517 1.781 20 0 EDADLP Cc1cccc(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000353747787 445736526 /nfs/dbraw/zinc/73/65/26/445736526.db2.gz BDHPUUYIOMWPMD-UHFFFAOYSA-N 2 2 326.448 1.564 20 0 EDADLP Cc1cccc(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000353747787 445736532 /nfs/dbraw/zinc/73/65/32/445736532.db2.gz BDHPUUYIOMWPMD-UHFFFAOYSA-N 2 2 326.448 1.564 20 0 EDADLP CN(CC[N@@H+]1CCCOCC1)C[C@@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000361395252 445764152 /nfs/dbraw/zinc/76/41/52/445764152.db2.gz MTUOQALASBVILR-VQTJNVASSA-N 2 2 347.503 1.712 20 0 EDADLP CN(CC[N@H+]1CCCOCC1)C[C@@H]1OCC[NH+](C)[C@@H]1c1ccccc1 ZINC000361395252 445764154 /nfs/dbraw/zinc/76/41/54/445764154.db2.gz MTUOQALASBVILR-VQTJNVASSA-N 2 2 347.503 1.712 20 0 EDADLP CN(CC[NH+]1CCCOCC1)C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000361395252 445764159 /nfs/dbraw/zinc/76/41/59/445764159.db2.gz MTUOQALASBVILR-VQTJNVASSA-N 2 2 347.503 1.712 20 0 EDADLP CN(CC[N@@H+]1CCCOCC1)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000361395250 445764241 /nfs/dbraw/zinc/76/42/41/445764241.db2.gz MTUOQALASBVILR-PMACEKPBSA-N 2 2 347.503 1.712 20 0 EDADLP CN(CC[N@H+]1CCCOCC1)C[C@@H]1OCC[NH+](C)[C@H]1c1ccccc1 ZINC000361395250 445764243 /nfs/dbraw/zinc/76/42/43/445764243.db2.gz MTUOQALASBVILR-PMACEKPBSA-N 2 2 347.503 1.712 20 0 EDADLP CN(CC[NH+]1CCCOCC1)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000361395250 445764244 /nfs/dbraw/zinc/76/42/44/445764244.db2.gz MTUOQALASBVILR-PMACEKPBSA-N 2 2 347.503 1.712 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000361532037 445806531 /nfs/dbraw/zinc/80/65/31/445806531.db2.gz VMXZQGGNRCVQOP-HOTGVXAUSA-N 2 2 346.475 1.907 20 0 EDADLP CCOc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000354009887 445853209 /nfs/dbraw/zinc/85/32/09/445853209.db2.gz NWDWNPAYLMWYAP-AEFFLSMTSA-N 2 2 332.492 1.938 20 0 EDADLP CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000354009887 445853213 /nfs/dbraw/zinc/85/32/13/445853213.db2.gz NWDWNPAYLMWYAP-AEFFLSMTSA-N 2 2 332.492 1.938 20 0 EDADLP Cc1nc2[nH]ccc2c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000359080192 445930983 /nfs/dbraw/zinc/93/09/83/445930983.db2.gz DVORTNLWCVFSDM-MRXNPFEDSA-N 2 2 337.427 2.445 20 0 EDADLP Cc1nc2[nH]ccc2c(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000359080192 445930986 /nfs/dbraw/zinc/93/09/86/445930986.db2.gz DVORTNLWCVFSDM-MRXNPFEDSA-N 2 2 337.427 2.445 20 0 EDADLP C[C@H](CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C1CC[NH2+]CC1 ZINC000361711761 445893409 /nfs/dbraw/zinc/89/34/09/445893409.db2.gz VCQDTGIKCXSTAE-OAHLLOKOSA-N 2 2 349.479 1.180 20 0 EDADLP C[C@H]1c2cccn2CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364228617 445902530 /nfs/dbraw/zinc/90/25/30/445902530.db2.gz DPKBFQGAUHOIAY-HOTGVXAUSA-N 2 2 345.491 1.743 20 0 EDADLP C[C@H]1c2cccn2CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364228617 445902536 /nfs/dbraw/zinc/90/25/36/445902536.db2.gz DPKBFQGAUHOIAY-HOTGVXAUSA-N 2 2 345.491 1.743 20 0 EDADLP CC[C@H](C)[C@H](OC)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000356638180 445903041 /nfs/dbraw/zinc/90/30/41/445903041.db2.gz UAURHGSCCQTGFQ-UXLLHSPISA-N 2 2 325.497 1.674 20 0 EDADLP CC[C@H](C)[C@H](OC)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000356638180 445903049 /nfs/dbraw/zinc/90/30/49/445903049.db2.gz UAURHGSCCQTGFQ-UXLLHSPISA-N 2 2 325.497 1.674 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]([N@H+](C)Cc2nccc(N)n2)C1 ZINC000356652388 445916494 /nfs/dbraw/zinc/91/64/94/445916494.db2.gz NFJQYNCXBFTZAD-CABCVRRESA-N 2 2 348.495 1.258 20 0 EDADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccc(N)n2)C1 ZINC000356652388 445916499 /nfs/dbraw/zinc/91/64/99/445916499.db2.gz NFJQYNCXBFTZAD-CABCVRRESA-N 2 2 348.495 1.258 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@@](C)(O)c1ccccc1 ZINC000361757492 445919454 /nfs/dbraw/zinc/91/94/54/445919454.db2.gz WATYANSYKAGCBJ-YZGWKJHDSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@](C)(O)c1ccccc1 ZINC000361757492 445919458 /nfs/dbraw/zinc/91/94/58/445919458.db2.gz WATYANSYKAGCBJ-YZGWKJHDSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@](C)(O)c1ccccc1 ZINC000361757492 445919464 /nfs/dbraw/zinc/91/94/64/445919464.db2.gz WATYANSYKAGCBJ-YZGWKJHDSA-N 2 2 347.503 1.231 20 0 EDADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@](C)(O)c1ccccc1 ZINC000361757492 445919471 /nfs/dbraw/zinc/91/94/71/445919471.db2.gz WATYANSYKAGCBJ-YZGWKJHDSA-N 2 2 347.503 1.231 20 0 EDADLP Cc1nc(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c(C)c(C)[nH+]1 ZINC000361816542 445970027 /nfs/dbraw/zinc/97/00/27/445970027.db2.gz TXMVXFNSCJDXMM-MRXNPFEDSA-N 2 2 331.464 1.392 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000361836015 445990989 /nfs/dbraw/zinc/99/09/89/445990989.db2.gz CRBHTBQRMARPKX-OAHLLOKOSA-N 2 2 348.472 1.681 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000361836015 445990994 /nfs/dbraw/zinc/99/09/94/445990994.db2.gz CRBHTBQRMARPKX-OAHLLOKOSA-N 2 2 348.472 1.681 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366105731 446016660 /nfs/dbraw/zinc/01/66/60/446016660.db2.gz NDVBGWZPYRWBKZ-CQSZACIVSA-N 2 2 349.479 1.409 20 0 EDADLP C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366105731 446016664 /nfs/dbraw/zinc/01/66/64/446016664.db2.gz NDVBGWZPYRWBKZ-CQSZACIVSA-N 2 2 349.479 1.409 20 0 EDADLP C[C@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1ccccc1 ZINC000365117194 446036986 /nfs/dbraw/zinc/03/69/86/446036986.db2.gz BWZCXRGJKCPTKA-MJGOQNOKSA-N 2 2 345.487 1.703 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)C2)CC1 ZINC000369274200 446039988 /nfs/dbraw/zinc/03/99/88/446039988.db2.gz NFGNAMNQVZOUHB-FCLJQHQZSA-N 2 2 347.503 1.667 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)C2)CC1 ZINC000369274200 446039991 /nfs/dbraw/zinc/03/99/91/446039991.db2.gz NFGNAMNQVZOUHB-FCLJQHQZSA-N 2 2 347.503 1.667 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSCc3ccccn3)C2)CC1 ZINC000369274197 446040174 /nfs/dbraw/zinc/04/01/74/446040174.db2.gz NEXMONZFYLETQO-OAHLLOKOSA-N 2 2 348.516 1.600 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSCc3ccccn3)C2)CC1 ZINC000369274197 446040177 /nfs/dbraw/zinc/04/01/77/446040177.db2.gz NEXMONZFYLETQO-OAHLLOKOSA-N 2 2 348.516 1.600 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)[nH+]1 ZINC000369237930 446013186 /nfs/dbraw/zinc/01/31/86/446013186.db2.gz COPCDKKKOLTFAT-OWCLPIDISA-N 2 2 347.463 1.733 20 0 EDADLP c1cc(N[C@@H]2CCCOC2)nc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)[nH+]1 ZINC000369237930 446013191 /nfs/dbraw/zinc/01/31/91/446013191.db2.gz COPCDKKKOLTFAT-OWCLPIDISA-N 2 2 347.463 1.733 20 0 EDADLP C[C@@H](CNC(=O)N(C)C[C@@H]1CCc2[nH+]ccn2C1)C[NH+]1CCOCC1 ZINC000369236557 446013440 /nfs/dbraw/zinc/01/34/40/446013440.db2.gz OOKGJUTZBRUJFJ-HOTGVXAUSA-N 2 2 349.479 1.055 20 0 EDADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000583208889 326027708 /nfs/dbraw/zinc/02/77/08/326027708.db2.gz SRYCXTRMZAGKCN-QGZVFWFLSA-N 2 2 340.537 1.529 20 0 EDADLP O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000373131213 446049566 /nfs/dbraw/zinc/04/95/66/446049566.db2.gz CFMFYVDFVFSXAN-INIZCTEOSA-N 2 2 336.480 1.121 20 0 EDADLP COc1ccc([C@@H](NC[C@H](O)C[N@H+](C)C2CC2)c2[nH+]ccn2C)cc1 ZINC000583537989 326089935 /nfs/dbraw/zinc/08/99/35/326089935.db2.gz RBJWFRIPGBVRLQ-FUHWJXTLSA-N 2 2 344.459 1.563 20 0 EDADLP COc1ccc([C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)c2[nH+]ccn2C)cc1 ZINC000583537989 326089936 /nfs/dbraw/zinc/08/99/36/326089936.db2.gz RBJWFRIPGBVRLQ-FUHWJXTLSA-N 2 2 344.459 1.563 20 0 EDADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000583603400 326101781 /nfs/dbraw/zinc/10/17/81/326101781.db2.gz BEPSYQHNJPGEQT-QWHCGFSZSA-N 2 2 332.370 1.896 20 0 EDADLP CC[NH+](CC)[C@@H](CNC[C@H](O)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000583858969 326153060 /nfs/dbraw/zinc/15/30/60/326153060.db2.gz KZRGHERHUSTHSJ-PMACEKPBSA-N 2 2 348.535 1.267 20 0 EDADLP CCN(CC)[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000583858969 326153061 /nfs/dbraw/zinc/15/30/61/326153061.db2.gz KZRGHERHUSTHSJ-PMACEKPBSA-N 2 2 348.535 1.267 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc21 ZINC000583860147 326153803 /nfs/dbraw/zinc/15/38/03/326153803.db2.gz PBKWLEKTQZPUGE-RDJZCZTQSA-N 3 2 331.464 1.342 20 0 EDADLP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc21 ZINC000583860147 326153805 /nfs/dbraw/zinc/15/38/05/326153805.db2.gz PBKWLEKTQZPUGE-RDJZCZTQSA-N 3 2 331.464 1.342 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000583916365 326163945 /nfs/dbraw/zinc/16/39/45/326163945.db2.gz HWJLFDUUKYDDEH-SFHVURJKSA-N 2 2 341.459 1.926 20 0 EDADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000583916365 326163947 /nfs/dbraw/zinc/16/39/47/326163947.db2.gz HWJLFDUUKYDDEH-SFHVURJKSA-N 2 2 341.459 1.926 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000583921117 326165507 /nfs/dbraw/zinc/16/55/07/326165507.db2.gz RFJOUVMWFBDCSN-HOCLYGCPSA-N 2 2 343.406 1.905 20 0 EDADLP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000584005098 326183073 /nfs/dbraw/zinc/18/30/73/326183073.db2.gz HWDJXGJFLSOUGF-YDHLFZDLSA-N 2 2 341.415 1.350 20 0 EDADLP Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000584005098 326183075 /nfs/dbraw/zinc/18/30/75/326183075.db2.gz HWDJXGJFLSOUGF-YDHLFZDLSA-N 2 2 341.415 1.350 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000359237923 446070699 /nfs/dbraw/zinc/07/06/99/446070699.db2.gz MYFPUPAVCHBMBA-KXBFYZLASA-N 2 2 345.466 1.874 20 0 EDADLP COCCc1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)no1 ZINC000351482455 446082846 /nfs/dbraw/zinc/08/28/46/446082846.db2.gz ZVRXYOHTPGDLQT-UHFFFAOYSA-N 2 2 338.452 1.193 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)C1CCCCC1 ZINC000351519522 446122549 /nfs/dbraw/zinc/12/25/49/446122549.db2.gz CHLHNUBOUXIWCR-BRWVUGGUSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)C1CCCCC1 ZINC000351519522 446122554 /nfs/dbraw/zinc/12/25/54/446122554.db2.gz CHLHNUBOUXIWCR-BRWVUGGUSA-N 2 2 338.496 1.221 20 0 EDADLP C[NH+](C)CCOC1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000359359595 446172491 /nfs/dbraw/zinc/17/24/91/446172491.db2.gz KZYOUIOVDZMBSU-UHFFFAOYSA-N 2 2 349.479 1.472 20 0 EDADLP CC(C)c1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)nc(N(C)C)[nH+]1 ZINC000351588613 446187026 /nfs/dbraw/zinc/18/70/26/446187026.db2.gz WSBQEHPVFFYIRX-HNNXBMFYSA-N 2 2 334.512 2.104 20 0 EDADLP CC(C)c1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000351588613 446187032 /nfs/dbraw/zinc/18/70/32/446187032.db2.gz WSBQEHPVFFYIRX-HNNXBMFYSA-N 2 2 334.512 2.104 20 0 EDADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000369676561 446144278 /nfs/dbraw/zinc/14/42/78/446144278.db2.gz QMKZPRINZFUURW-GOEBONIOSA-N 2 2 332.448 1.472 20 0 EDADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000369676561 446144284 /nfs/dbraw/zinc/14/42/84/446144284.db2.gz QMKZPRINZFUURW-GOEBONIOSA-N 2 2 332.448 1.472 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000365327172 446148784 /nfs/dbraw/zinc/14/87/84/446148784.db2.gz NEVYGWZNKQKKOE-ILXRZTDVSA-N 2 2 335.452 1.109 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000365327172 446148789 /nfs/dbraw/zinc/14/87/89/446148789.db2.gz NEVYGWZNKQKKOE-ILXRZTDVSA-N 2 2 335.452 1.109 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(C)noc1C)[NH+](C)C ZINC000351547093 446149156 /nfs/dbraw/zinc/14/91/56/446149156.db2.gz YBNKJLFHGNGSDW-IJEWVQPXSA-N 2 2 340.443 1.660 20 0 EDADLP CC[C@H](C(=O)NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1c(C)noc1C)[NH+](C)C ZINC000351547093 446149161 /nfs/dbraw/zinc/14/91/61/446149161.db2.gz YBNKJLFHGNGSDW-IJEWVQPXSA-N 2 2 340.443 1.660 20 0 EDADLP Cc1ccc(N2CCC[C@H](C(=O)NCC3=CC[N@H+](C)CC3)C2)[nH+]c1 ZINC000365533702 446243608 /nfs/dbraw/zinc/24/36/08/446243608.db2.gz FYKAEORLTIEVBS-KRWDZBQOSA-N 2 2 328.460 1.985 20 0 EDADLP Cc1ccc(N2CCC[C@H](C(=O)NCC3=CC[N@@H+](C)CC3)C2)[nH+]c1 ZINC000365533702 446243612 /nfs/dbraw/zinc/24/36/12/446243612.db2.gz FYKAEORLTIEVBS-KRWDZBQOSA-N 2 2 328.460 1.985 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN(CC)C(=O)C2)CC1 ZINC000351601429 446198731 /nfs/dbraw/zinc/19/87/31/446198731.db2.gz FXPBABQRJOBXHZ-UHFFFAOYSA-N 2 2 344.503 1.883 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCN(CC)C(=O)C2)CC1 ZINC000351601429 446198739 /nfs/dbraw/zinc/19/87/39/446198739.db2.gz FXPBABQRJOBXHZ-UHFFFAOYSA-N 2 2 344.503 1.883 20 0 EDADLP Cc1cc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n2ncnc2n1 ZINC000351614044 446207680 /nfs/dbraw/zinc/20/76/80/446207680.db2.gz CXYOQMIPWPDIMS-INIZCTEOSA-N 2 2 343.479 1.429 20 0 EDADLP Cc1cc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n2ncnc2n1 ZINC000351614044 446207683 /nfs/dbraw/zinc/20/76/83/446207683.db2.gz CXYOQMIPWPDIMS-INIZCTEOSA-N 2 2 343.479 1.429 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000370280301 446212238 /nfs/dbraw/zinc/21/22/38/446212238.db2.gz FMRLYJSKMTTYEQ-PMPSAXMXSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000370280301 446212241 /nfs/dbraw/zinc/21/22/41/446212241.db2.gz FMRLYJSKMTTYEQ-PMPSAXMXSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000370280301 446212246 /nfs/dbraw/zinc/21/22/46/446212246.db2.gz FMRLYJSKMTTYEQ-PMPSAXMXSA-N 3 2 349.523 1.079 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[NH+]1C1CC1 ZINC000370280301 446212250 /nfs/dbraw/zinc/21/22/50/446212250.db2.gz FMRLYJSKMTTYEQ-PMPSAXMXSA-N 3 2 349.523 1.079 20 0 EDADLP Cc1nccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000366478903 446231374 /nfs/dbraw/zinc/23/13/74/446231374.db2.gz ZKPIAZHYHMCMDZ-UHFFFAOYSA-N 2 2 331.464 1.161 20 0 EDADLP C[C@@H]1C(=O)CC[C@H]1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373500727 446239842 /nfs/dbraw/zinc/23/98/42/446239842.db2.gz GABFNZDKJBOAIG-YQQAZPJKSA-N 2 2 335.492 1.619 20 0 EDADLP C[C@@H]1C(=O)CC[C@H]1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373500727 446239847 /nfs/dbraw/zinc/23/98/47/446239847.db2.gz GABFNZDKJBOAIG-YQQAZPJKSA-N 2 2 335.492 1.619 20 0 EDADLP C[C@@H](CO)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373508061 446242828 /nfs/dbraw/zinc/24/28/28/446242828.db2.gz XBXKJPDCVJVWRJ-NVXWUHKLSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@@H](CO)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373508061 446242831 /nfs/dbraw/zinc/24/28/31/446242831.db2.gz XBXKJPDCVJVWRJ-NVXWUHKLSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@H]1C[NH+](CCCCNc2cccc(-n3cc[nH+]c3)n2)C[C@H](C)O1 ZINC000366527688 446249750 /nfs/dbraw/zinc/24/97/50/446249750.db2.gz XMIAKAKLWGAPPN-HOTGVXAUSA-N 2 2 329.448 2.569 20 0 EDADLP Cc1cc(N2CCC(NC(=O)c3csc(CC[NH3+])n3)CC2)nc[nH+]1 ZINC000373544046 446254956 /nfs/dbraw/zinc/25/49/56/446254956.db2.gz BKFGYYHZJKEGSA-UHFFFAOYSA-N 2 2 346.460 1.142 20 0 EDADLP Cc1noc(C2C[NH+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)n1 ZINC000365579336 446260291 /nfs/dbraw/zinc/26/02/91/446260291.db2.gz WQXRJNPSYOTNGC-OAHLLOKOSA-N 2 2 341.415 1.805 20 0 EDADLP CC[N@H+](C)[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000370426441 446272770 /nfs/dbraw/zinc/27/27/70/446272770.db2.gz XWDKSCDROOWPPL-ZWKOTPCHSA-N 2 2 331.460 1.613 20 0 EDADLP CC[N@@H+](C)[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000370426441 446272774 /nfs/dbraw/zinc/27/27/74/446272774.db2.gz XWDKSCDROOWPPL-ZWKOTPCHSA-N 2 2 331.460 1.613 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000366592398 446272882 /nfs/dbraw/zinc/27/28/82/446272882.db2.gz IHMWNFOIWCRSJH-WMLDXEAASA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000366592398 446272886 /nfs/dbraw/zinc/27/28/86/446272886.db2.gz IHMWNFOIWCRSJH-WMLDXEAASA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000366592398 446272889 /nfs/dbraw/zinc/27/28/89/446272889.db2.gz IHMWNFOIWCRSJH-WMLDXEAASA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000366592398 446272894 /nfs/dbraw/zinc/27/28/94/446272894.db2.gz IHMWNFOIWCRSJH-WMLDXEAASA-N 2 2 336.480 1.166 20 0 EDADLP COCCc1nsc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000365631443 446280346 /nfs/dbraw/zinc/28/03/46/446280346.db2.gz RAVAPJSAWIIYKT-CQSZACIVSA-N 2 2 339.509 1.332 20 0 EDADLP COCCc1nsc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000365631443 446280349 /nfs/dbraw/zinc/28/03/49/446280349.db2.gz RAVAPJSAWIIYKT-CQSZACIVSA-N 2 2 339.509 1.332 20 0 EDADLP CNc1c(Cl)ncnc1N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373691622 446304958 /nfs/dbraw/zinc/30/49/58/446304958.db2.gz AZLGEKGKCHTQAJ-LBPRGKRZSA-N 2 2 338.887 1.776 20 0 EDADLP CNc1c(Cl)ncnc1N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373691622 446304963 /nfs/dbraw/zinc/30/49/63/446304963.db2.gz AZLGEKGKCHTQAJ-LBPRGKRZSA-N 2 2 338.887 1.776 20 0 EDADLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C1 ZINC000373697738 446306760 /nfs/dbraw/zinc/30/67/60/446306760.db2.gz RHDCBWOZPNPCSV-IRXDYDNUSA-N 2 2 344.521 1.169 20 0 EDADLP CCOC1CC(O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000370525770 446318043 /nfs/dbraw/zinc/31/80/43/446318043.db2.gz HFVQJYMDYRJUFG-IZIZEDOESA-N 2 2 333.476 1.812 20 0 EDADLP CCOC1CC(O)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000370525770 446318045 /nfs/dbraw/zinc/31/80/45/446318045.db2.gz HFVQJYMDYRJUFG-IZIZEDOESA-N 2 2 333.476 1.812 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000373845480 446336314 /nfs/dbraw/zinc/33/63/14/446336314.db2.gz ORDJHBFMUQGMGA-PMPSAXMXSA-N 2 2 344.521 1.433 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000373845480 446336319 /nfs/dbraw/zinc/33/63/19/446336319.db2.gz ORDJHBFMUQGMGA-PMPSAXMXSA-N 2 2 344.521 1.433 20 0 EDADLP CS(=O)(=O)NCCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000370577707 446339979 /nfs/dbraw/zinc/33/99/79/446339979.db2.gz LJINQUTVKZCEAF-UHFFFAOYSA-N 2 2 331.507 1.241 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417956512 446399599 /nfs/dbraw/zinc/39/95/99/446399599.db2.gz SKKHPEFEJQUCOU-UVBJJODRSA-N 2 2 340.418 1.865 20 0 EDADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417956512 446399604 /nfs/dbraw/zinc/39/96/04/446399604.db2.gz SKKHPEFEJQUCOU-UVBJJODRSA-N 2 2 340.418 1.865 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000417657033 446368499 /nfs/dbraw/zinc/36/84/99/446368499.db2.gz HFRMZVXOSSCALQ-SWLSCSKDSA-N 2 2 340.418 1.866 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C[NH3+])CC(C)C)nc[nH+]1 ZINC000417767878 446372545 /nfs/dbraw/zinc/37/25/45/446372545.db2.gz BZFUSROEHRQPNI-ZIAGYGMSSA-N 2 2 349.483 1.160 20 0 EDADLP CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H](C[NH3+])CC(C)C)[nH+]cn1 ZINC000417767878 446372552 /nfs/dbraw/zinc/37/25/52/446372552.db2.gz BZFUSROEHRQPNI-ZIAGYGMSSA-N 2 2 349.483 1.160 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccnn2C)CC1 ZINC000366867460 446388519 /nfs/dbraw/zinc/38/85/19/446388519.db2.gz JLIZJXJWUSIJEV-SFHVURJKSA-N 2 2 347.507 1.936 20 0 EDADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2ccnn2C)CC1 ZINC000366867460 446388522 /nfs/dbraw/zinc/38/85/22/446388522.db2.gz JLIZJXJWUSIJEV-SFHVURJKSA-N 2 2 347.507 1.936 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000411027551 446391946 /nfs/dbraw/zinc/39/19/46/446391946.db2.gz OTWKSKCLPGCYHO-HNNXBMFYSA-N 2 2 347.463 1.057 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000411027551 446391947 /nfs/dbraw/zinc/39/19/47/446391947.db2.gz OTWKSKCLPGCYHO-HNNXBMFYSA-N 2 2 347.463 1.057 20 0 EDADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000411027551 446391949 /nfs/dbraw/zinc/39/19/49/446391949.db2.gz OTWKSKCLPGCYHO-HNNXBMFYSA-N 2 2 347.463 1.057 20 0 EDADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000411027551 446391951 /nfs/dbraw/zinc/39/19/51/446391951.db2.gz OTWKSKCLPGCYHO-HNNXBMFYSA-N 2 2 347.463 1.057 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417950992 446397314 /nfs/dbraw/zinc/39/73/14/446397314.db2.gz LATOLAMQJYZJOF-LYRGGWFBSA-N 2 2 338.402 1.713 20 0 EDADLP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417950992 446397318 /nfs/dbraw/zinc/39/73/18/446397318.db2.gz LATOLAMQJYZJOF-LYRGGWFBSA-N 2 2 338.402 1.713 20 0 EDADLP COc1ccc([C@H]([NH2+]CCCn2cc(CO)nn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423123377 446431088 /nfs/dbraw/zinc/43/10/88/446431088.db2.gz MNNJBGBUKAPFOX-MSOLQXFVSA-N 2 2 345.447 1.252 20 0 EDADLP CC(C)[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(NCC(F)(F)C[NH3+])n1 ZINC000420248931 446432254 /nfs/dbraw/zinc/43/22/54/446432254.db2.gz XCMWPZBLQSCLHD-YPMHNXCESA-N 2 2 329.395 2.098 20 0 EDADLP CCNc1nc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000420252956 446433951 /nfs/dbraw/zinc/43/39/51/446433951.db2.gz CMXLTOULWDCONL-CQSZACIVSA-N 2 2 347.511 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CCC([C@@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000420252956 446433956 /nfs/dbraw/zinc/43/39/56/446433956.db2.gz CMXLTOULWDCONL-CQSZACIVSA-N 2 2 347.511 1.762 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420252956 446433960 /nfs/dbraw/zinc/43/39/60/446433960.db2.gz CMXLTOULWDCONL-CQSZACIVSA-N 2 2 347.511 1.762 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432089893 446450323 /nfs/dbraw/zinc/45/03/23/446450323.db2.gz PXHQUSCENBKRBQ-HUUCEWRRSA-N 2 2 334.464 1.550 20 0 EDADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432089893 446450327 /nfs/dbraw/zinc/45/03/27/446450327.db2.gz PXHQUSCENBKRBQ-HUUCEWRRSA-N 2 2 334.464 1.550 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432089895 446451093 /nfs/dbraw/zinc/45/10/93/446451093.db2.gz PXHQUSCENBKRBQ-LSDHHAIUSA-N 2 2 334.464 1.550 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432089895 446451096 /nfs/dbraw/zinc/45/10/96/446451096.db2.gz PXHQUSCENBKRBQ-LSDHHAIUSA-N 2 2 334.464 1.550 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOC3(CCCC3)C2)CC1 ZINC000366939264 446418533 /nfs/dbraw/zinc/41/85/33/446418533.db2.gz WSPZZMAFMPZQRO-UHFFFAOYSA-N 2 2 338.496 1.367 20 0 EDADLP O=C(Nc1ccn2cc[nH+]c2c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000411175572 446419310 /nfs/dbraw/zinc/41/93/10/446419310.db2.gz DGOLTHYLMMTFNH-OAHLLOKOSA-N 2 2 341.415 1.360 20 0 EDADLP CCCCNc1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)nc(N)[nH+]1 ZINC000420292376 446455758 /nfs/dbraw/zinc/45/57/58/446455758.db2.gz YVFHQNSZADOGOG-WMLDXEAASA-N 2 2 348.495 1.994 20 0 EDADLP CCCCNc1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)[nH+]c(N)n1 ZINC000420292376 446455767 /nfs/dbraw/zinc/45/57/67/446455767.db2.gz YVFHQNSZADOGOG-WMLDXEAASA-N 2 2 348.495 1.994 20 0 EDADLP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418206570 446456983 /nfs/dbraw/zinc/45/69/83/446456983.db2.gz HQTSCSFWVVRXBX-QGZVFWFLSA-N 2 2 332.448 1.020 20 0 EDADLP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418206570 446456987 /nfs/dbraw/zinc/45/69/87/446456987.db2.gz HQTSCSFWVVRXBX-QGZVFWFLSA-N 2 2 332.448 1.020 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000420294103 446457420 /nfs/dbraw/zinc/45/74/20/446457420.db2.gz SJZQOZWVPGDIFE-DZGCQCFKSA-N 2 2 333.432 1.779 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000420294103 446457426 /nfs/dbraw/zinc/45/74/26/446457426.db2.gz SJZQOZWVPGDIFE-DZGCQCFKSA-N 2 2 333.432 1.779 20 0 EDADLP CN(C(=O)COc1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829259 446463521 /nfs/dbraw/zinc/46/35/21/446463521.db2.gz FJSIEXZPRCERBV-KRWDZBQOSA-N 2 2 331.460 1.692 20 0 EDADLP CN(C(=O)COc1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829259 446463527 /nfs/dbraw/zinc/46/35/27/446463527.db2.gz FJSIEXZPRCERBV-KRWDZBQOSA-N 2 2 331.460 1.692 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000418233103 446466746 /nfs/dbraw/zinc/46/67/46/446466746.db2.gz IAJGRQQZISROKU-DYVFJYSZSA-N 2 2 325.416 1.453 20 0 EDADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000418233103 446466752 /nfs/dbraw/zinc/46/67/52/446466752.db2.gz IAJGRQQZISROKU-DYVFJYSZSA-N 2 2 325.416 1.453 20 0 EDADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(Cc3noc(C)n3)CC2)cc1 ZINC000420308622 446472134 /nfs/dbraw/zinc/47/21/34/446472134.db2.gz CZWAZJGNFXKUAI-INIZCTEOSA-N 2 2 345.447 1.247 20 0 EDADLP COc1ccc([C@H](C[NH3+])CN2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000420309679 446474205 /nfs/dbraw/zinc/47/42/05/446474205.db2.gz FALDSEMPWLKSEI-RTBURBONSA-N 2 2 347.503 1.924 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc2cccnc2s1 ZINC000420313261 446477758 /nfs/dbraw/zinc/47/77/58/446477758.db2.gz PMECLTTVOGPLSB-GFCCVEGCSA-N 2 2 333.461 1.511 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc2cccnc2s1 ZINC000420313261 446477770 /nfs/dbraw/zinc/47/77/70/446477770.db2.gz PMECLTTVOGPLSB-GFCCVEGCSA-N 2 2 333.461 1.511 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3cnn(C)c3)C2)cc1 ZINC000420313389 446478805 /nfs/dbraw/zinc/47/88/05/446478805.db2.gz JAKUAZNAJRRATE-CRAIPNDOSA-N 2 2 330.432 1.545 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@H](c3cnn(C)c3)C2)cc1 ZINC000420313389 446478808 /nfs/dbraw/zinc/47/88/08/446478808.db2.gz JAKUAZNAJRRATE-CRAIPNDOSA-N 2 2 330.432 1.545 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])c2cscn2)[NH+](C)C)c1 ZINC000423303313 446480318 /nfs/dbraw/zinc/48/03/18/446480318.db2.gz IZICMRWAMQPTQL-CABCVRRESA-N 2 2 334.445 1.571 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NCCC[NH2+]C2CC2)C1 ZINC000418300020 446491650 /nfs/dbraw/zinc/49/16/50/446491650.db2.gz LXLDEVNHCIPUNT-OAHLLOKOSA-N 2 2 347.463 1.452 20 0 EDADLP [NH3+][C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1cscn1 ZINC000423334023 446493072 /nfs/dbraw/zinc/49/30/72/446493072.db2.gz QHQIOXFZIFXGKS-INIZCTEOSA-N 2 2 330.457 1.708 20 0 EDADLP [NH3+][C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1cscn1 ZINC000423334023 446493080 /nfs/dbraw/zinc/49/30/80/446493080.db2.gz QHQIOXFZIFXGKS-INIZCTEOSA-N 2 2 330.457 1.708 20 0 EDADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)C1 ZINC000423333726 446493620 /nfs/dbraw/zinc/49/36/20/446493620.db2.gz OHGPPMMFECUEMH-AIANPOQGSA-N 2 2 346.475 1.700 20 0 EDADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1OCC(=O)N(C)C ZINC000423511247 446558081 /nfs/dbraw/zinc/55/80/81/446558081.db2.gz KGPDTUJZYRWZPX-NVXWUHKLSA-N 2 2 349.475 1.573 20 0 EDADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418479644 446558239 /nfs/dbraw/zinc/55/82/39/446558239.db2.gz APPMCKGJJUYFPJ-MRXNPFEDSA-N 2 2 327.432 1.810 20 0 EDADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420382475 446558452 /nfs/dbraw/zinc/55/84/52/446558452.db2.gz ANERHRXLWKJSQE-OAHLLOKOSA-N 2 2 336.455 1.404 20 0 EDADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000420382475 446558461 /nfs/dbraw/zinc/55/84/61/446558461.db2.gz ANERHRXLWKJSQE-OAHLLOKOSA-N 2 2 336.455 1.404 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420386111 446560470 /nfs/dbraw/zinc/56/04/70/446560470.db2.gz VAUBZJQDEMYDDW-FQEVSTJZSA-N 2 2 345.487 1.956 20 0 EDADLP Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420386111 446560473 /nfs/dbraw/zinc/56/04/73/446560473.db2.gz VAUBZJQDEMYDDW-FQEVSTJZSA-N 2 2 345.487 1.956 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423533138 446564205 /nfs/dbraw/zinc/56/42/05/446564205.db2.gz WVPGILSGLNDWHZ-PKOBYXMFSA-N 3 2 346.519 1.337 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423533138 446564210 /nfs/dbraw/zinc/56/42/10/446564210.db2.gz WVPGILSGLNDWHZ-PKOBYXMFSA-N 3 2 346.519 1.337 20 0 EDADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000423529231 446564340 /nfs/dbraw/zinc/56/43/40/446564340.db2.gz XKLFCDDIERJYDG-BPQIPLTHSA-N 2 2 337.895 1.923 20 0 EDADLP Cc1c([C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)nnn1-c1ccc(Cl)cc1 ZINC000423401643 446518518 /nfs/dbraw/zinc/51/85/18/446518518.db2.gz GKTAJZDMJOQSLU-JVLSTEMRSA-N 2 2 335.839 1.460 20 0 EDADLP C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@H](O)C[NH3+] ZINC000420353478 446532916 /nfs/dbraw/zinc/53/29/16/446532916.db2.gz NIWWOXCREQJPON-RHSMWYFYSA-N 2 2 333.457 1.205 20 0 EDADLP C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@H](O)C[NH3+] ZINC000420353478 446532924 /nfs/dbraw/zinc/53/29/24/446532924.db2.gz NIWWOXCREQJPON-RHSMWYFYSA-N 2 2 333.457 1.205 20 0 EDADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(Cc3nccn3C)CC2)cc1 ZINC000420357489 446536926 /nfs/dbraw/zinc/53/69/26/446536926.db2.gz HYHVSGPISBJGMP-QGZVFWFLSA-N 2 2 343.475 1.289 20 0 EDADLP CC(C)([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000418418982 446536978 /nfs/dbraw/zinc/53/69/78/446536978.db2.gz YOAIYHRJXWBASH-RYUDHWBXSA-N 2 2 328.457 1.697 20 0 EDADLP CC(C)([NH3+])CNC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000418418982 446536983 /nfs/dbraw/zinc/53/69/83/446536983.db2.gz YOAIYHRJXWBASH-RYUDHWBXSA-N 2 2 328.457 1.697 20 0 EDADLP C[N@@H+](CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000420358439 446538637 /nfs/dbraw/zinc/53/86/37/446538637.db2.gz UIPCSZPXZNFTKA-JKSUJKDBSA-N 2 2 339.455 1.671 20 0 EDADLP C[N@H+](CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000420358439 446538642 /nfs/dbraw/zinc/53/86/42/446538642.db2.gz UIPCSZPXZNFTKA-JKSUJKDBSA-N 2 2 339.455 1.671 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418431502 446539870 /nfs/dbraw/zinc/53/98/70/446539870.db2.gz QXHWCUHUVFZFDR-HYVNUMGLSA-N 2 2 332.448 1.191 20 0 EDADLP COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000420360298 446541742 /nfs/dbraw/zinc/54/17/42/446541742.db2.gz GVDSDIHGZDEJEP-MOROJQBDSA-N 2 2 349.475 1.685 20 0 EDADLP CC(C)([NH3+])c1noc(CN2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000420364351 446544818 /nfs/dbraw/zinc/54/48/18/446544818.db2.gz QPDNZQRRHDXCPU-UHFFFAOYSA-N 2 2 333.411 1.720 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420398858 446573187 /nfs/dbraw/zinc/57/31/87/446573187.db2.gz HDATXYDPXBHXNH-ZFWWWQNUSA-N 2 2 332.448 1.868 20 0 EDADLP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1C ZINC000420398858 446573193 /nfs/dbraw/zinc/57/31/93/446573193.db2.gz HDATXYDPXBHXNH-ZFWWWQNUSA-N 2 2 332.448 1.868 20 0 EDADLP CCc1nc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc(C)[nH+]1 ZINC000367728563 446580547 /nfs/dbraw/zinc/58/05/47/446580547.db2.gz MAKWCOUXDRVXDR-RDTXWAMCSA-N 2 2 328.464 2.576 20 0 EDADLP CCc1nc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc(C)[nH+]1 ZINC000367728563 446580555 /nfs/dbraw/zinc/58/05/55/446580555.db2.gz MAKWCOUXDRVXDR-RDTXWAMCSA-N 2 2 328.464 2.576 20 0 EDADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4C[NH2+]CCO4)[C@@H]3C2)cc1 ZINC000423575885 446583610 /nfs/dbraw/zinc/58/36/10/446583610.db2.gz QNIWHGOKPWBAHU-NMLBUPMWSA-N 3 2 329.488 1.865 20 0 EDADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4C[NH2+]CCO4)[C@@H]3C2)cc1 ZINC000423575885 446583618 /nfs/dbraw/zinc/58/36/18/446583618.db2.gz QNIWHGOKPWBAHU-NMLBUPMWSA-N 3 2 329.488 1.865 20 0 EDADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423579399 446586147 /nfs/dbraw/zinc/58/61/47/446586147.db2.gz WCSKCDWYHRAVPT-MOPGFXCFSA-N 2 2 327.428 1.952 20 0 EDADLP C[C@H]1CC[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420414073 446587511 /nfs/dbraw/zinc/58/75/11/446587511.db2.gz UHJKFRPLGJMNHJ-KBPBESRZSA-N 2 2 326.462 1.386 20 0 EDADLP C[C@H]1CC[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420414073 446587515 /nfs/dbraw/zinc/58/75/15/446587515.db2.gz UHJKFRPLGJMNHJ-KBPBESRZSA-N 2 2 326.462 1.386 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423611237 446604493 /nfs/dbraw/zinc/60/44/93/446604493.db2.gz NZJBSPOHQVECFM-QGZVFWFLSA-N 2 2 335.492 1.480 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423611237 446604502 /nfs/dbraw/zinc/60/45/02/446604502.db2.gz NZJBSPOHQVECFM-QGZVFWFLSA-N 2 2 335.492 1.480 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCS(=O)(=O)C(C)C)C2)c1 ZINC000371159907 446661409 /nfs/dbraw/zinc/66/14/09/446661409.db2.gz HRYZKGGNNBKQLK-HNNXBMFYSA-N 2 2 325.478 1.947 20 0 EDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCS(=O)(=O)C(C)C)C2)c1 ZINC000371159907 446661413 /nfs/dbraw/zinc/66/14/13/446661413.db2.gz HRYZKGGNNBKQLK-HNNXBMFYSA-N 2 2 325.478 1.947 20 0 EDADLP CCC[C@]1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000376706138 446665273 /nfs/dbraw/zinc/66/52/73/446665273.db2.gz IFLBQQLQLXLWMP-YJBOKZPZSA-N 2 2 338.496 1.413 20 0 EDADLP CCC[C@]1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCOC1 ZINC000376706138 446665282 /nfs/dbraw/zinc/66/52/82/446665282.db2.gz IFLBQQLQLXLWMP-YJBOKZPZSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CC[NH2+]CC3(F)F)CC[C@H]21 ZINC000418748337 446668726 /nfs/dbraw/zinc/66/87/26/446668726.db2.gz BDOUGFVAEDZQMX-MGPQQGTHSA-N 2 2 330.423 1.357 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CC[NH2+]CC3(F)F)CC[C@H]21 ZINC000418748337 446668731 /nfs/dbraw/zinc/66/87/31/446668731.db2.gz BDOUGFVAEDZQMX-MGPQQGTHSA-N 2 2 330.423 1.357 20 0 EDADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000423739300 446669230 /nfs/dbraw/zinc/66/92/30/446669230.db2.gz HDNZNCWEDFHCSR-YOEHRIQHSA-N 2 2 335.423 1.409 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCc1cncs1 ZINC000411600700 446622791 /nfs/dbraw/zinc/62/27/91/446622791.db2.gz YVCMPUVRWMTECV-KBPBESRZSA-N 2 2 337.468 1.964 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCc1cncs1 ZINC000411600700 446622797 /nfs/dbraw/zinc/62/27/97/446622797.db2.gz YVCMPUVRWMTECV-KBPBESRZSA-N 2 2 337.468 1.964 20 0 EDADLP [NH3+]CCC[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000418648692 446631770 /nfs/dbraw/zinc/63/17/70/446631770.db2.gz IDZBMSCYWQFCAQ-ROUUACIJSA-N 2 2 346.475 1.583 20 0 EDADLP Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371217641 446696195 /nfs/dbraw/zinc/69/61/95/446696195.db2.gz CVUVZOATPUSQEP-CJNGLKHVSA-N 2 2 347.507 1.805 20 0 EDADLP Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371217641 446696201 /nfs/dbraw/zinc/69/62/01/446696201.db2.gz CVUVZOATPUSQEP-CJNGLKHVSA-N 2 2 347.507 1.805 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418780878 446698816 /nfs/dbraw/zinc/69/88/16/446698816.db2.gz YXURBWNNUNZQFY-MRXNPFEDSA-N 2 2 331.464 1.754 20 0 EDADLP C[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N)[C@H]1c1ccc(F)c(F)c1 ZINC000423822030 446710413 /nfs/dbraw/zinc/71/04/13/446710413.db2.gz IFKYQIVKVAUFSC-HZPDHXFCSA-N 2 2 332.354 1.948 20 0 EDADLP C[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N)[C@H]1c1ccc(F)c(F)c1 ZINC000423822030 446710419 /nfs/dbraw/zinc/71/04/19/446710419.db2.gz IFKYQIVKVAUFSC-HZPDHXFCSA-N 2 2 332.354 1.948 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000423821656 446710636 /nfs/dbraw/zinc/71/06/36/446710636.db2.gz HTKJCVXVNYXHGM-BWAGICSOSA-N 2 2 339.386 1.203 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000423821656 446710642 /nfs/dbraw/zinc/71/06/42/446710642.db2.gz HTKJCVXVNYXHGM-BWAGICSOSA-N 2 2 339.386 1.203 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C[NH3+])OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423822899 446712445 /nfs/dbraw/zinc/71/24/45/446712445.db2.gz JEXYEHBAFFILLM-RRFJBIMHSA-N 2 2 343.830 1.704 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C[NH3+])OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423822899 446712448 /nfs/dbraw/zinc/71/24/48/446712448.db2.gz JEXYEHBAFFILLM-RRFJBIMHSA-N 2 2 343.830 1.704 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1)NCc1cccnc1 ZINC000371195010 446684275 /nfs/dbraw/zinc/68/42/75/446684275.db2.gz HNSWLCQJBAJUPG-GOSISDBHSA-N 2 2 330.476 1.896 20 0 EDADLP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1)NCc1cccnc1 ZINC000371195010 446684277 /nfs/dbraw/zinc/68/42/77/446684277.db2.gz HNSWLCQJBAJUPG-GOSISDBHSA-N 2 2 330.476 1.896 20 0 EDADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000418848431 446749713 /nfs/dbraw/zinc/74/97/13/446749713.db2.gz YQQHPLULOPRXKO-HNNXBMFYSA-N 2 2 343.431 1.122 20 0 EDADLP CC[C@@H]1C[C@@H](CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000376866967 446763319 /nfs/dbraw/zinc/76/33/19/446763319.db2.gz OZEKRDOPGYBCKZ-LZLYRXPVSA-N 2 2 337.508 1.866 20 0 EDADLP CC[C@@H]1C[C@@H](CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000376866967 446763327 /nfs/dbraw/zinc/76/33/27/446763327.db2.gz OZEKRDOPGYBCKZ-LZLYRXPVSA-N 2 2 337.508 1.866 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000423917355 446766506 /nfs/dbraw/zinc/76/65/06/446766506.db2.gz NXAXKDYDFQWNFH-CFMVVWHZSA-N 2 2 340.443 1.693 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000423917355 446766513 /nfs/dbraw/zinc/76/65/13/446766513.db2.gz NXAXKDYDFQWNFH-CFMVVWHZSA-N 2 2 340.443 1.693 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000423929627 446779678 /nfs/dbraw/zinc/77/96/78/446779678.db2.gz MITVYIHIESNTHT-HNNXBMFYSA-N 2 2 332.448 1.517 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CC[C@@H](C)[NH3+])on1 ZINC000423930438 446782321 /nfs/dbraw/zinc/78/23/21/446782321.db2.gz WCCGZZZUENUODG-XBFCOCLRSA-N 2 2 326.416 1.481 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CC[C@@H](C)[NH3+])on1 ZINC000423930438 446782325 /nfs/dbraw/zinc/78/23/25/446782325.db2.gz WCCGZZZUENUODG-XBFCOCLRSA-N 2 2 326.416 1.481 20 0 EDADLP Cc1cccc(N2CCO[C@@H](C[N@@H+](C)CC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000418937897 446811584 /nfs/dbraw/zinc/81/15/84/446811584.db2.gz ORNKBJSIKNLEKK-HNNXBMFYSA-N 2 2 335.448 1.869 20 0 EDADLP Cc1cccc(N2CCO[C@@H](C[N@H+](C)CC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000418937897 446811588 /nfs/dbraw/zinc/81/15/88/446811588.db2.gz ORNKBJSIKNLEKK-HNNXBMFYSA-N 2 2 335.448 1.869 20 0 EDADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000371381134 446819045 /nfs/dbraw/zinc/81/90/45/446819045.db2.gz CTIOOMZWUQKMQV-KBAYOESNSA-N 2 2 333.476 1.851 20 0 EDADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000371381134 446819048 /nfs/dbraw/zinc/81/90/48/446819048.db2.gz CTIOOMZWUQKMQV-KBAYOESNSA-N 2 2 333.476 1.851 20 0 EDADLP C[N@H+](CC(=O)NCCC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426474 446849130 /nfs/dbraw/zinc/84/91/30/446849130.db2.gz XRDSLWVXBRKBOA-QGZVFWFLSA-N 2 2 338.540 1.639 20 0 EDADLP C[N@@H+](CC(=O)NCCC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426474 446849139 /nfs/dbraw/zinc/84/91/39/446849139.db2.gz XRDSLWVXBRKBOA-QGZVFWFLSA-N 2 2 338.540 1.639 20 0 EDADLP CN(CC(=O)NCCC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371426474 446849146 /nfs/dbraw/zinc/84/91/46/446849146.db2.gz XRDSLWVXBRKBOA-QGZVFWFLSA-N 2 2 338.540 1.639 20 0 EDADLP CN(CC(=O)NCCC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371426474 446849152 /nfs/dbraw/zinc/84/91/52/446849152.db2.gz XRDSLWVXBRKBOA-QGZVFWFLSA-N 2 2 338.540 1.639 20 0 EDADLP CCCN(CCC)C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371459145 446870351 /nfs/dbraw/zinc/87/03/51/446870351.db2.gz NLQKJXHRWNFFMM-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP CCCN(CCC)C(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371459145 446870356 /nfs/dbraw/zinc/87/03/56/446870356.db2.gz NLQKJXHRWNFFMM-QGZVFWFLSA-N 2 2 338.540 1.735 20 0 EDADLP CCOCC[NH+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420897922 446874390 /nfs/dbraw/zinc/87/43/90/446874390.db2.gz BPFINRNFHZTCHP-UHFFFAOYSA-N 2 2 347.503 1.673 20 0 EDADLP CCOCCN1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420897922 446874395 /nfs/dbraw/zinc/87/43/95/446874395.db2.gz BPFINRNFHZTCHP-UHFFFAOYSA-N 2 2 347.503 1.673 20 0 EDADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000424455744 446874729 /nfs/dbraw/zinc/87/47/29/446874729.db2.gz TZHKLNSAPKEBIS-KZNAEPCWSA-N 2 2 346.475 1.629 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000420900034 446877725 /nfs/dbraw/zinc/87/77/25/446877725.db2.gz HHHPQUUXQOGCFL-MSOLQXFVSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000420900034 446877731 /nfs/dbraw/zinc/87/77/31/446877731.db2.gz HHHPQUUXQOGCFL-MSOLQXFVSA-N 2 2 347.503 1.406 20 0 EDADLP C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959597 446930168 /nfs/dbraw/zinc/93/01/68/446930168.db2.gz GSPCTHSFRUYWCY-LPHOPBHVSA-N 2 2 334.460 1.491 20 0 EDADLP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420959597 446930175 /nfs/dbraw/zinc/93/01/75/446930175.db2.gz GSPCTHSFRUYWCY-LPHOPBHVSA-N 2 2 334.460 1.491 20 0 EDADLP CNC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000420969931 446941995 /nfs/dbraw/zinc/94/19/95/446941995.db2.gz FQBFNFRZIAOUIQ-QGZVFWFLSA-N 2 2 330.476 1.267 20 0 EDADLP CNC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000420969931 446942001 /nfs/dbraw/zinc/94/20/01/446942001.db2.gz FQBFNFRZIAOUIQ-QGZVFWFLSA-N 2 2 330.476 1.267 20 0 EDADLP C[C@H]1CCC[N@H+](CCCCNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000368580883 446957296 /nfs/dbraw/zinc/95/72/96/446957296.db2.gz CWWNFIQKNFIBOX-KRWDZBQOSA-N 2 2 337.508 1.870 20 0 EDADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000368580883 446957302 /nfs/dbraw/zinc/95/73/02/446957302.db2.gz CWWNFIQKNFIBOX-KRWDZBQOSA-N 2 2 337.508 1.870 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442768329 446959214 /nfs/dbraw/zinc/95/92/14/446959214.db2.gz TVQMQMLRTSDQBC-SJPCQFCGSA-N 2 2 331.460 1.916 20 0 EDADLP CCOc1cccc(CNC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000442768329 446959223 /nfs/dbraw/zinc/95/92/23/446959223.db2.gz TVQMQMLRTSDQBC-SJPCQFCGSA-N 2 2 331.460 1.916 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000442767435 446959341 /nfs/dbraw/zinc/95/93/41/446959341.db2.gz YRUVMWOQZYKJTK-HUUCEWRRSA-N 2 2 331.464 1.680 20 0 EDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000442767435 446959348 /nfs/dbraw/zinc/95/93/48/446959348.db2.gz YRUVMWOQZYKJTK-HUUCEWRRSA-N 2 2 331.464 1.680 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000442767524 446959599 /nfs/dbraw/zinc/95/95/99/446959599.db2.gz RCIZKVUJJMQWPR-GHMZBOCLSA-N 2 2 341.839 1.965 20 0 EDADLP COc1cc(OC)c(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1Cl ZINC000442767524 446959607 /nfs/dbraw/zinc/95/96/07/446959607.db2.gz RCIZKVUJJMQWPR-GHMZBOCLSA-N 2 2 341.839 1.965 20 0 EDADLP O[C@H](CN1CCC[C@@H]1C[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC000377252139 447020848 /nfs/dbraw/zinc/02/08/48/447020848.db2.gz RGQAHMDQMMGOJW-MSOLQXFVSA-N 2 2 325.497 1.020 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000425005374 446987917 /nfs/dbraw/zinc/98/79/17/446987917.db2.gz WMTNWSGSLHKMCN-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000425005374 446987924 /nfs/dbraw/zinc/98/79/24/446987924.db2.gz WMTNWSGSLHKMCN-GOSISDBHSA-N 2 2 345.487 1.830 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000375815894 447075997 /nfs/dbraw/zinc/07/59/97/447075997.db2.gz QTTRKOHGWCXAFL-LSDHHAIUSA-N 2 2 349.479 1.236 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC000375815894 447076000 /nfs/dbraw/zinc/07/60/00/447076000.db2.gz QTTRKOHGWCXAFL-LSDHHAIUSA-N 2 2 349.479 1.236 20 0 EDADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000419327950 447094150 /nfs/dbraw/zinc/09/41/50/447094150.db2.gz DDRAZAOJIJFNCJ-IAGOWNOFSA-N 2 2 328.460 1.818 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000419327950 447094156 /nfs/dbraw/zinc/09/41/56/447094156.db2.gz DDRAZAOJIJFNCJ-IAGOWNOFSA-N 2 2 328.460 1.818 20 0 EDADLP C[C@@H]1CN(C(=O)c2cnn3c2CCCC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000377374278 447094984 /nfs/dbraw/zinc/09/49/84/447094984.db2.gz PROFBOSTCAYEPP-OAHLLOKOSA-N 2 2 345.491 1.460 20 0 EDADLP C[C@@H]1CN(C(=O)c2cnn3c2CCCC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000377374278 447094989 /nfs/dbraw/zinc/09/49/89/447094989.db2.gz PROFBOSTCAYEPP-OAHLLOKOSA-N 2 2 345.491 1.460 20 0 EDADLP Cn1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](Cc4ccccn4)CC3)C2)n1 ZINC000375848657 447097692 /nfs/dbraw/zinc/09/76/92/447097692.db2.gz LGLDYOYXCDEFJP-GOSISDBHSA-N 2 2 340.475 1.648 20 0 EDADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CCO1 ZINC000368850494 447158462 /nfs/dbraw/zinc/15/84/62/447158462.db2.gz KRJHMPILSKZCFQ-MRXNPFEDSA-N 2 2 346.475 1.525 20 0 EDADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CCO1 ZINC000368850494 447158470 /nfs/dbraw/zinc/15/84/70/447158470.db2.gz KRJHMPILSKZCFQ-MRXNPFEDSA-N 2 2 346.475 1.525 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3nccs3)C2)CC1 ZINC000375900306 447132926 /nfs/dbraw/zinc/13/29/26/447132926.db2.gz GLVWCRNKYHXFMV-AWEZNQCLSA-N 2 2 337.493 1.182 20 0 EDADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3nccs3)C2)CC1 ZINC000375900306 447132930 /nfs/dbraw/zinc/13/29/30/447132930.db2.gz GLVWCRNKYHXFMV-AWEZNQCLSA-N 2 2 337.493 1.182 20 0 EDADLP C[C@@H](CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)[NH+](C)C ZINC000455442674 447133133 /nfs/dbraw/zinc/13/31/33/447133133.db2.gz OFHVODHDCGJWHX-WFASDCNBSA-N 2 2 333.411 1.898 20 0 EDADLP O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000376072759 447250679 /nfs/dbraw/zinc/25/06/79/447250679.db2.gz XCLUDGDYFOMXIX-OAHLLOKOSA-N 2 2 342.447 1.313 20 0 EDADLP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)cn2)CC1 ZINC000377658323 447276324 /nfs/dbraw/zinc/27/63/24/447276324.db2.gz WZEQXFHLTMUGDS-OAHLLOKOSA-N 2 2 340.431 1.546 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000495429932 447506016 /nfs/dbraw/zinc/50/60/16/447506016.db2.gz PGTUKDSESDMRGQ-AWEZNQCLSA-N 2 2 329.485 1.990 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000495429932 447506022 /nfs/dbraw/zinc/50/60/22/447506022.db2.gz PGTUKDSESDMRGQ-AWEZNQCLSA-N 2 2 329.485 1.990 20 0 EDADLP C[C@H]1CN(C(=O)c2csc(C[NH3+])n2)CC[N@@H+]1Cc1ccccc1 ZINC000396420531 447543512 /nfs/dbraw/zinc/54/35/12/447543512.db2.gz ONGKTXUWXDNNHI-ZDUSSCGKSA-N 2 2 330.457 1.948 20 0 EDADLP C[C@H]1CN(C(=O)c2csc(C[NH3+])n2)CC[N@H+]1Cc1ccccc1 ZINC000396420531 447543518 /nfs/dbraw/zinc/54/35/18/447543518.db2.gz ONGKTXUWXDNNHI-ZDUSSCGKSA-N 2 2 330.457 1.948 20 0 EDADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000459041323 447550657 /nfs/dbraw/zinc/55/06/57/447550657.db2.gz AYCASJPYVCWMIU-HUUCEWRRSA-N 2 2 337.468 1.716 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000398172118 447556452 /nfs/dbraw/zinc/55/64/52/447556452.db2.gz UXVVRKNCZWCHID-RNIPGJKVSA-N 2 2 336.476 1.651 20 0 EDADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000398172118 447556456 /nfs/dbraw/zinc/55/64/56/447556456.db2.gz UXVVRKNCZWCHID-RNIPGJKVSA-N 2 2 336.476 1.651 20 0 EDADLP Cc1cc(C)c(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)c[nH+]1 ZINC000459088330 447568934 /nfs/dbraw/zinc/56/89/34/447568934.db2.gz XSECDNLJLYHFKN-UHFFFAOYSA-N 2 2 334.464 1.733 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416316021 447569715 /nfs/dbraw/zinc/56/97/15/447569715.db2.gz VOADURUKSLESIW-KBPBESRZSA-N 2 2 330.432 1.258 20 0 EDADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416316021 447569721 /nfs/dbraw/zinc/56/97/21/447569721.db2.gz VOADURUKSLESIW-KBPBESRZSA-N 2 2 330.432 1.258 20 0 EDADLP COCCOCC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451015157 447651346 /nfs/dbraw/zinc/65/13/46/447651346.db2.gz DUEMQJNCUHJHKJ-MRXNPFEDSA-N 2 2 335.448 1.798 20 0 EDADLP COCCOCC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451015157 447651353 /nfs/dbraw/zinc/65/13/53/447651353.db2.gz DUEMQJNCUHJHKJ-MRXNPFEDSA-N 2 2 335.448 1.798 20 0 EDADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407248255 447613654 /nfs/dbraw/zinc/61/36/54/447613654.db2.gz CYQQOUNCRHPRRX-ROUUACIJSA-N 2 2 329.444 1.988 20 0 EDADLP COCC1(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCC1 ZINC000457686765 447618514 /nfs/dbraw/zinc/61/85/14/447618514.db2.gz FDNSJDRJOZQDPH-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP COCC1(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCC1 ZINC000457686765 447618517 /nfs/dbraw/zinc/61/85/17/447618517.db2.gz FDNSJDRJOZQDPH-MRXNPFEDSA-N 2 2 337.508 1.820 20 0 EDADLP COC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451204011 447704737 /nfs/dbraw/zinc/70/47/37/447704737.db2.gz UYBGNWJJNKDSAW-APWZRJJASA-N 2 2 346.475 1.477 20 0 EDADLP COC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000451204011 447704741 /nfs/dbraw/zinc/70/47/41/447704741.db2.gz UYBGNWJJNKDSAW-APWZRJJASA-N 2 2 346.475 1.477 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000416910010 447705876 /nfs/dbraw/zinc/70/58/76/447705876.db2.gz LHBIFDMZRYKPRE-UHOFOFEASA-N 2 2 345.422 1.946 20 0 EDADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422585419 447655909 /nfs/dbraw/zinc/65/59/09/447655909.db2.gz CNPPGKQQBKSLIE-IAGOWNOFSA-N 2 2 344.459 1.400 20 0 EDADLP COCC[NH2+]CCNc1cc(N[C@@H]2CCCO[C@H]2C(C)C)[nH+]cn1 ZINC000420216272 447673414 /nfs/dbraw/zinc/67/34/14/447673414.db2.gz DUPLQDKLBQMDIW-PBHICJAKSA-N 2 2 337.468 1.740 20 0 EDADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000457935194 447676903 /nfs/dbraw/zinc/67/69/03/447676903.db2.gz GCWNPZIZCRNCIF-OAHLLOKOSA-N 2 2 343.431 1.080 20 0 EDADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000457935194 447676911 /nfs/dbraw/zinc/67/69/11/447676911.db2.gz GCWNPZIZCRNCIF-OAHLLOKOSA-N 2 2 343.431 1.080 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(OC)c1 ZINC000422640930 447684930 /nfs/dbraw/zinc/68/49/30/447684930.db2.gz WPDKDBNAZIQJDM-IHRRRGAJSA-N 2 2 335.448 1.948 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(OC)c1 ZINC000422640930 447684935 /nfs/dbraw/zinc/68/49/35/447684935.db2.gz WPDKDBNAZIQJDM-IHRRRGAJSA-N 2 2 335.448 1.948 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(=O)[nH]n1 ZINC000428210833 447685889 /nfs/dbraw/zinc/68/58/89/447685889.db2.gz WEOOCGVMOBTGBX-AWEZNQCLSA-N 2 2 328.416 1.865 20 0 EDADLP c1ccc(N2CCOCC2)c(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422686520 447713059 /nfs/dbraw/zinc/71/30/59/447713059.db2.gz AMMFOTNPXIDIET-RTBURBONSA-N 2 2 331.460 1.380 20 0 EDADLP c1cn(Cc2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)c[nH+]1 ZINC000422832940 447763649 /nfs/dbraw/zinc/76/36/49/447763649.db2.gz LUYAQVWBSXZOIX-RTBURBONSA-N 3 2 326.444 1.788 20 0 EDADLP [NH3+]C[C@H]1CCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416938261 447715730 /nfs/dbraw/zinc/71/57/30/447715730.db2.gz KSOWSINWVIMSMY-HZPDHXFCSA-N 2 2 331.464 1.999 20 0 EDADLP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C[C@H](C)O1 ZINC000416955652 447725884 /nfs/dbraw/zinc/72/58/84/447725884.db2.gz VWUDPAUTSSXDAL-MJBXVCDLSA-N 2 2 348.438 1.030 20 0 EDADLP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C[C@H](C)O1 ZINC000416955652 447725889 /nfs/dbraw/zinc/72/58/89/447725889.db2.gz VWUDPAUTSSXDAL-MJBXVCDLSA-N 2 2 348.438 1.030 20 0 EDADLP C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000458166109 447732895 /nfs/dbraw/zinc/73/28/95/447732895.db2.gz LQBVOVPCYHCSGC-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP C[N@H+]1CCC[C@H](CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000458166109 447732899 /nfs/dbraw/zinc/73/28/99/447732899.db2.gz LQBVOVPCYHCSGC-QGZVFWFLSA-N 2 2 345.487 1.981 20 0 EDADLP CO[C@]1(C)C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1(C)C ZINC000451487754 447735810 /nfs/dbraw/zinc/73/58/10/447735810.db2.gz LJTUXEUVMGGACC-KBXCAEBGSA-N 2 2 341.496 1.007 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000458177075 447737030 /nfs/dbraw/zinc/73/70/30/447737030.db2.gz MQKPYJLUHWUNNH-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000458177075 447737035 /nfs/dbraw/zinc/73/70/35/447737035.db2.gz MQKPYJLUHWUNNH-OAHLLOKOSA-N 2 2 326.485 1.223 20 0 EDADLP COc1ccc([C@@H](C[NH2+][C@H]2CC[NH2+]C2)N2CCOCC2)cc1OC ZINC000422773473 447747110 /nfs/dbraw/zinc/74/71/10/447747110.db2.gz UCDOTWNOIPBWHT-JKSUJKDBSA-N 2 2 335.448 1.029 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+]CCCNc2cccc[nH+]2)CC[NH2+]CC1 ZINC000422831158 447762777 /nfs/dbraw/zinc/76/27/77/447762777.db2.gz JFTABPOALFRRFE-HNNXBMFYSA-N 3 2 334.464 1.795 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430542679 447775040 /nfs/dbraw/zinc/77/50/40/447775040.db2.gz CRIZULNXPLGUFW-UKRRQHHQSA-N 2 2 344.459 1.577 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430542679 447775047 /nfs/dbraw/zinc/77/50/47/447775047.db2.gz CRIZULNXPLGUFW-UKRRQHHQSA-N 2 2 344.459 1.577 20 0 EDADLP CC[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422937146 447777073 /nfs/dbraw/zinc/77/70/73/447777073.db2.gz NNCSWJBMMHAYBQ-IRXDYDNUSA-N 2 2 339.505 1.616 20 0 EDADLP COc1ccc(-n2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000422951214 447779405 /nfs/dbraw/zinc/77/94/05/447779405.db2.gz ZWPKITDRMWOSOB-OALUTQOASA-N 2 2 342.443 1.738 20 0 EDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1c(F)cccc1F ZINC000422958731 447781030 /nfs/dbraw/zinc/78/10/30/447781030.db2.gz YYIRPIINVUPJGT-NWDGAFQWSA-N 2 2 327.375 1.051 20 0 EDADLP COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)ccc1OCCO ZINC000422972391 447784483 /nfs/dbraw/zinc/78/44/83/447784483.db2.gz LLSSTSYBUMUHDU-IJEWVQPXSA-N 2 2 338.448 1.484 20 0 EDADLP COc1ccc([C@H]([NH2+]C[C@@H](O)COCC2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422971745 447784625 /nfs/dbraw/zinc/78/46/25/447784625.db2.gz JTDYQJPRECTNKR-QRQLOZEOSA-N 2 2 334.460 1.865 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000430930418 447788280 /nfs/dbraw/zinc/78/82/80/447788280.db2.gz ANTDQZVRVKBHEL-DGCLKSJQSA-N 2 2 337.420 1.320 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(OC)c1OC ZINC000430930418 447788283 /nfs/dbraw/zinc/78/82/83/447788283.db2.gz ANTDQZVRVKBHEL-DGCLKSJQSA-N 2 2 337.420 1.320 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423077377 447800130 /nfs/dbraw/zinc/80/01/30/447800130.db2.gz LXZBNVGYMJTFMR-VHDGCEQUSA-N 2 2 328.403 1.472 20 0 EDADLP FC(F)(F)COc1cnccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423114209 447808713 /nfs/dbraw/zinc/80/87/13/447808713.db2.gz YUJKCVWLLRFUDR-HUUCEWRRSA-N 2 2 345.365 1.879 20 0 EDADLP COC(=O)[C@@H](NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)C(C)C ZINC000569705713 447873069 /nfs/dbraw/zinc/87/30/69/447873069.db2.gz YCISYDWOLZABHV-KRWDZBQOSA-N 2 2 348.447 1.272 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000569706112 447873358 /nfs/dbraw/zinc/87/33/58/447873358.db2.gz JCSHBTPOMWHXLD-CVEARBPZSA-N 2 2 332.448 1.462 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000569706112 447873361 /nfs/dbraw/zinc/87/33/61/447873361.db2.gz JCSHBTPOMWHXLD-CVEARBPZSA-N 2 2 332.448 1.462 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000523255196 447876316 /nfs/dbraw/zinc/87/63/16/447876316.db2.gz IVOBDKOEFJEBPX-KGLIPLIRSA-N 2 2 328.420 1.655 20 0 EDADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[N@H+]1CCCC[C@H]1C ZINC000523255196 447876317 /nfs/dbraw/zinc/87/63/17/447876317.db2.gz IVOBDKOEFJEBPX-KGLIPLIRSA-N 2 2 328.420 1.655 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000523712824 447903277 /nfs/dbraw/zinc/90/32/77/447903277.db2.gz VSDWHNPNLYDQPH-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CCO1 ZINC000523712824 447903280 /nfs/dbraw/zinc/90/32/80/447903280.db2.gz VSDWHNPNLYDQPH-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000523712824 447903283 /nfs/dbraw/zinc/90/32/83/447903283.db2.gz VSDWHNPNLYDQPH-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000523712824 447903286 /nfs/dbraw/zinc/90/32/86/447903286.db2.gz VSDWHNPNLYDQPH-HKUYNNGSSA-N 2 2 345.487 1.736 20 0 EDADLP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](C)S(C)(=O)=O)CC2)oc1C ZINC000575861714 447913866 /nfs/dbraw/zinc/91/38/66/447913866.db2.gz GQARLCFFIKPLRM-LBPRGKRZSA-N 2 2 343.493 1.526 20 0 EDADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569999938 447932364 /nfs/dbraw/zinc/93/23/64/447932364.db2.gz CZTYJARQMMNNBI-ZACQAIPSSA-N 2 2 330.432 1.871 20 0 EDADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569999938 447932370 /nfs/dbraw/zinc/93/23/70/447932370.db2.gz CZTYJARQMMNNBI-ZACQAIPSSA-N 2 2 330.432 1.871 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H]1C ZINC000524618108 447938185 /nfs/dbraw/zinc/93/81/85/447938185.db2.gz OIMIKMQYSVOUAX-KGLIPLIRSA-N 2 2 328.420 1.607 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H]1C ZINC000524618108 447938191 /nfs/dbraw/zinc/93/81/91/447938191.db2.gz OIMIKMQYSVOUAX-KGLIPLIRSA-N 2 2 328.420 1.607 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1C ZINC000524618109 447938291 /nfs/dbraw/zinc/93/82/91/447938291.db2.gz OIMIKMQYSVOUAX-UONOGXRCSA-N 2 2 328.420 1.607 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H]1C ZINC000524618109 447938299 /nfs/dbraw/zinc/93/82/99/447938299.db2.gz OIMIKMQYSVOUAX-UONOGXRCSA-N 2 2 328.420 1.607 20 0 EDADLP CCOC(=O)N1CCC(NC(=[NH2+])NCCCCn2cc[nH+]c2)CC1 ZINC000497225242 447979705 /nfs/dbraw/zinc/97/97/05/447979705.db2.gz GENJAGWTYSKMIW-UHFFFAOYSA-N 2 2 336.440 1.398 20 0 EDADLP CC(C)[N@H+](C)CC1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000570386392 447998755 /nfs/dbraw/zinc/99/87/55/447998755.db2.gz QGIOVZIBSGKBGL-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000570386392 447998760 /nfs/dbraw/zinc/99/87/60/447998760.db2.gz QGIOVZIBSGKBGL-UHFFFAOYSA-N 2 2 337.508 1.820 20 0 EDADLP C[C@H](CC(=O)NCc1ccc[nH+]c1N1CCOCC1)n1cc[nH+]c1 ZINC000576231069 448005793 /nfs/dbraw/zinc/00/57/93/448005793.db2.gz YNLUHQZGKWQSKF-CQSZACIVSA-N 2 2 329.404 1.382 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C1 ZINC000525621259 448006873 /nfs/dbraw/zinc/00/68/73/448006873.db2.gz OLWNRQPCRUNWOY-HIFRSBDPSA-N 2 2 328.420 1.465 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C1 ZINC000525621259 448006875 /nfs/dbraw/zinc/00/68/75/448006875.db2.gz OLWNRQPCRUNWOY-HIFRSBDPSA-N 2 2 328.420 1.465 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC3(CC1)NC(=O)NC3=O)CCC2 ZINC000553846658 448008456 /nfs/dbraw/zinc/00/84/56/448008456.db2.gz KNBUHJTZXQFSHN-SFYCDEOASA-N 2 2 331.420 1.179 20 0 EDADLP COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000553010756 447968558 /nfs/dbraw/zinc/96/85/58/447968558.db2.gz YKWSLLXQPSXFIX-KBPBESRZSA-N 2 2 325.428 1.093 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000570497252 448026134 /nfs/dbraw/zinc/02/61/34/448026134.db2.gz DPYHTGANZWPCPU-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000570497252 448026138 /nfs/dbraw/zinc/02/61/38/448026138.db2.gz DPYHTGANZWPCPU-MRXNPFEDSA-N 2 2 338.496 1.413 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000554583355 448037444 /nfs/dbraw/zinc/03/74/44/448037444.db2.gz WLFHLWVNXZEYKI-UHFFFAOYSA-N 2 2 329.448 1.908 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccnc1OCC(F)(F)F)C1CC1 ZINC000570675265 448046916 /nfs/dbraw/zinc/04/69/16/448046916.db2.gz BVBYEXJJDSEGSK-ZDUSSCGKSA-N 2 2 333.354 1.567 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccnc1OCC(F)(F)F)C1CC1 ZINC000570675265 448046919 /nfs/dbraw/zinc/04/69/19/448046919.db2.gz BVBYEXJJDSEGSK-ZDUSSCGKSA-N 2 2 333.354 1.567 20 0 EDADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H](C)C1 ZINC000555553511 448086183 /nfs/dbraw/zinc/08/61/83/448086183.db2.gz KKVDMGJICXPWRX-YLFCFFPRSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@@H]1C[C@H]1[N@H+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C[C@@H](C)C1 ZINC000555553511 448086188 /nfs/dbraw/zinc/08/61/88/448086188.db2.gz KKVDMGJICXPWRX-YLFCFFPRSA-N 2 2 345.491 1.604 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000571433371 448154145 /nfs/dbraw/zinc/15/41/45/448154145.db2.gz ZWRNWBXUCWLHNA-XUWXXGDYSA-N 2 2 329.444 1.980 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000571433371 448154152 /nfs/dbraw/zinc/15/41/52/448154152.db2.gz ZWRNWBXUCWLHNA-XUWXXGDYSA-N 2 2 329.444 1.980 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556654997 448125089 /nfs/dbraw/zinc/12/50/89/448125089.db2.gz JPNWTNZLFNUMNW-INIZCTEOSA-N 2 2 349.479 1.160 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000556654997 448125094 /nfs/dbraw/zinc/12/50/94/448125094.db2.gz JPNWTNZLFNUMNW-INIZCTEOSA-N 2 2 349.479 1.160 20 0 EDADLP C[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@@H+](C2CC2)C1 ZINC000576951802 448179808 /nfs/dbraw/zinc/17/98/08/448179808.db2.gz YGQIDZOUXQXNOV-CQSZACIVSA-N 2 2 331.464 1.845 20 0 EDADLP C[C@H]1CN(C(=O)NCc2c[nH+]c3n2CCCC3)CC[N@H+](C2CC2)C1 ZINC000576951802 448179813 /nfs/dbraw/zinc/17/98/13/448179813.db2.gz YGQIDZOUXQXNOV-CQSZACIVSA-N 2 2 331.464 1.845 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571681945 448189437 /nfs/dbraw/zinc/18/94/37/448189437.db2.gz RJDJSABXXOOZPC-GOSISDBHSA-N 2 2 333.480 1.141 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571681945 448189441 /nfs/dbraw/zinc/18/94/41/448189441.db2.gz RJDJSABXXOOZPC-GOSISDBHSA-N 2 2 333.480 1.141 20 0 EDADLP CN(C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000531886644 448167362 /nfs/dbraw/zinc/16/73/62/448167362.db2.gz DSTIPEMEBKSNRN-INIZCTEOSA-N 2 2 327.432 1.836 20 0 EDADLP CN(C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000531886644 448167367 /nfs/dbraw/zinc/16/73/67/448167367.db2.gz DSTIPEMEBKSNRN-INIZCTEOSA-N 2 2 327.432 1.836 20 0 EDADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000571534543 448168967 /nfs/dbraw/zinc/16/89/67/448168967.db2.gz IPYBHMGYANPMQD-INIZCTEOSA-N 2 2 333.480 1.021 20 0 EDADLP C[NH+]1CCN(c2cc(CNC(=O)CCCn3cc[nH+]c3)ccn2)CC1 ZINC000591139330 448270956 /nfs/dbraw/zinc/27/09/56/448270956.db2.gz ADFUODIRDAXNNB-UHFFFAOYSA-N 2 2 342.447 1.127 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000515416123 448310828 /nfs/dbraw/zinc/31/08/28/448310828.db2.gz JLGVJQBVVDHQSS-LSDHHAIUSA-N 2 2 345.443 1.108 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000515416123 448310832 /nfs/dbraw/zinc/31/08/32/448310832.db2.gz JLGVJQBVVDHQSS-LSDHHAIUSA-N 2 2 345.443 1.108 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)([NH+]2CCCCC2)CC1 ZINC000572246735 448326331 /nfs/dbraw/zinc/32/63/31/448326331.db2.gz GNMXHINRMODKRS-GVDBMIGSSA-N 2 2 347.503 1.668 20 0 EDADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000515503265 448324449 /nfs/dbraw/zinc/32/44/49/448324449.db2.gz AFFJBNIHXJHNHS-GFCCVEGCSA-N 2 2 340.474 1.400 20 0 EDADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000515503265 448324453 /nfs/dbraw/zinc/32/44/53/448324453.db2.gz AFFJBNIHXJHNHS-GFCCVEGCSA-N 2 2 340.474 1.400 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2OCC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000515356145 448297933 /nfs/dbraw/zinc/29/79/33/448297933.db2.gz SGSQKWKFFJJLKX-QRFRQXIXSA-N 2 2 345.487 1.859 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H]2OCC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000515356145 448297936 /nfs/dbraw/zinc/29/79/36/448297936.db2.gz SGSQKWKFFJJLKX-QRFRQXIXSA-N 2 2 345.487 1.859 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000515356145 448297944 /nfs/dbraw/zinc/29/79/44/448297944.db2.gz SGSQKWKFFJJLKX-QRFRQXIXSA-N 2 2 345.487 1.859 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000515356145 448297951 /nfs/dbraw/zinc/29/79/51/448297951.db2.gz SGSQKWKFFJJLKX-QRFRQXIXSA-N 2 2 345.487 1.859 20 0 EDADLP COC(=O)c1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1Cl ZINC000591277388 448303917 /nfs/dbraw/zinc/30/39/17/448303917.db2.gz LRTGKDGGXHUMLP-LLVKDONJSA-N 2 2 340.811 1.233 20 0 EDADLP COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1Cl ZINC000591277388 448303922 /nfs/dbraw/zinc/30/39/22/448303922.db2.gz LRTGKDGGXHUMLP-LLVKDONJSA-N 2 2 340.811 1.233 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000591275578 448304365 /nfs/dbraw/zinc/30/43/65/448304365.db2.gz FLVFASWJRPAQMN-ZBFHGGJFSA-N 2 2 339.480 1.298 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572261220 448331301 /nfs/dbraw/zinc/33/13/01/448331301.db2.gz JJHZHTAFGLZJEO-GOSISDBHSA-N 2 2 327.432 1.662 20 0 EDADLP O=C(NCC1=CC[NH2+]CC1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000577592381 448334881 /nfs/dbraw/zinc/33/48/81/448334881.db2.gz ZBEDUPUSBWGFFW-GOSISDBHSA-N 2 2 344.459 1.279 20 0 EDADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000515638046 448336310 /nfs/dbraw/zinc/33/63/10/448336310.db2.gz OLFSQCFKHXDZOJ-ZBFHGGJFSA-N 2 2 340.489 1.284 20 0 EDADLP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000515638046 448336314 /nfs/dbraw/zinc/33/63/14/448336314.db2.gz OLFSQCFKHXDZOJ-ZBFHGGJFSA-N 2 2 340.489 1.284 20 0 EDADLP C[NH+](C)CCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000516125704 448382986 /nfs/dbraw/zinc/38/29/86/448382986.db2.gz CTUKQLJTSUNWRN-UHFFFAOYSA-N 3 2 338.540 1.785 20 0 EDADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493375506 448387960 /nfs/dbraw/zinc/38/79/60/448387960.db2.gz YWTIMOAWIPEPOT-XERWZBGXSA-N 2 2 340.427 1.953 20 0 EDADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493375506 448387964 /nfs/dbraw/zinc/38/79/64/448387964.db2.gz YWTIMOAWIPEPOT-XERWZBGXSA-N 2 2 340.427 1.953 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000591560319 448390432 /nfs/dbraw/zinc/39/04/32/448390432.db2.gz AWMVOMMZMSJATE-LTIDMASMSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@H]([C@H](C)NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000591560319 448390434 /nfs/dbraw/zinc/39/04/34/448390434.db2.gz AWMVOMMZMSJATE-LTIDMASMSA-N 2 2 340.512 1.658 20 0 EDADLP CCN1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000516254509 448403949 /nfs/dbraw/zinc/40/39/49/448403949.db2.gz WJSSJPOUBVKJKY-HOTGVXAUSA-N 2 2 348.495 1.530 20 0 EDADLP CCN1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000516254509 448403954 /nfs/dbraw/zinc/40/39/54/448403954.db2.gz WJSSJPOUBVKJKY-HOTGVXAUSA-N 2 2 348.495 1.530 20 0 EDADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC([NH3+])C1 ZINC000577875860 448409715 /nfs/dbraw/zinc/40/97/15/448409715.db2.gz DQECXDCGTQIURQ-UHFFFAOYSA-N 3 2 330.476 1.320 20 0 EDADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC([NH3+])C1 ZINC000577875860 448409720 /nfs/dbraw/zinc/40/97/20/448409720.db2.gz DQECXDCGTQIURQ-UHFFFAOYSA-N 3 2 330.476 1.320 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCOc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000572585376 448414407 /nfs/dbraw/zinc/41/44/07/448414407.db2.gz FIXIQADLYHWWNP-INIZCTEOSA-N 2 2 342.443 1.503 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCOc2cccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000572585376 448414412 /nfs/dbraw/zinc/41/44/12/448414412.db2.gz FIXIQADLYHWWNP-INIZCTEOSA-N 2 2 342.443 1.503 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)C1C[NH2+]C1 ZINC000572593317 448416403 /nfs/dbraw/zinc/41/64/03/448416403.db2.gz GZGOAUFKWZISHP-IINYFYTJSA-N 2 2 343.349 1.888 20 0 EDADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000577740732 448374997 /nfs/dbraw/zinc/37/49/97/448374997.db2.gz PATYUKAMFNFYFJ-UHFFFAOYSA-N 2 2 327.375 1.194 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc[nH+]c(N(C)C)n2)cc1 ZINC000528141018 448443729 /nfs/dbraw/zinc/44/37/29/448443729.db2.gz SOOUDMWBDNBHAH-OAHLLOKOSA-N 2 2 327.432 2.238 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNc2cc[nH+]c(N(C)C)n2)cc1 ZINC000528141018 448443737 /nfs/dbraw/zinc/44/37/37/448443737.db2.gz SOOUDMWBDNBHAH-OAHLLOKOSA-N 2 2 327.432 2.238 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000572821997 448471111 /nfs/dbraw/zinc/47/11/11/448471111.db2.gz WYWFFGZHFYLOAY-KRWDZBQOSA-N 2 2 340.512 1.395 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000572821997 448471117 /nfs/dbraw/zinc/47/11/17/448471117.db2.gz WYWFFGZHFYLOAY-KRWDZBQOSA-N 2 2 340.512 1.395 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000578119482 448464493 /nfs/dbraw/zinc/46/44/93/448464493.db2.gz ISMJDGMCBPTRKW-UHFFFAOYSA-N 2 2 331.420 1.244 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](CO)C3CCOCC3)c2cc1C ZINC000516803926 448475528 /nfs/dbraw/zinc/47/55/28/448475528.db2.gz FSZMHABBHJQMPO-AEFFLSMTSA-N 2 2 347.459 1.391 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000584350459 448494326 /nfs/dbraw/zinc/49/43/26/448494326.db2.gz KTAVTNRBXGZTOV-SJLPKXTDSA-N 2 2 337.414 1.950 20 0 EDADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000584350459 448494330 /nfs/dbraw/zinc/49/43/30/448494330.db2.gz KTAVTNRBXGZTOV-SJLPKXTDSA-N 2 2 337.414 1.950 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]([NH+]4CCOCC4)C[C@@H]3C)ccn12 ZINC000516936691 448501794 /nfs/dbraw/zinc/50/17/94/448501794.db2.gz LAPUYZFTNMSGLZ-BBRMVZONSA-N 2 2 328.416 1.578 20 0 EDADLP C[C@H]1CC[N@H+](CCc2nnnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000536607507 448533368 /nfs/dbraw/zinc/53/33/68/448533368.db2.gz YTFJQMOCUSVNJQ-RDJZCZTQSA-N 2 2 337.431 1.984 20 0 EDADLP C[C@H]1CC[N@@H+](CCc2nnnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000536607507 448533373 /nfs/dbraw/zinc/53/33/73/448533373.db2.gz YTFJQMOCUSVNJQ-RDJZCZTQSA-N 2 2 337.431 1.984 20 0 EDADLP CC(C)C[C@H](CNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)[NH+]1CCOCC1 ZINC000578295581 448507530 /nfs/dbraw/zinc/50/75/30/448507530.db2.gz WPZAWQLMXPTFSW-XHSDSOJGSA-N 2 2 349.479 1.935 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000572960790 448507726 /nfs/dbraw/zinc/50/77/26/448507726.db2.gz OZVZCMWLHZLPFD-LSDHHAIUSA-N 2 2 326.412 1.002 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000572960790 448507729 /nfs/dbraw/zinc/50/77/29/448507729.db2.gz OZVZCMWLHZLPFD-LSDHHAIUSA-N 2 2 326.412 1.002 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000516934870 448501600 /nfs/dbraw/zinc/50/16/00/448501600.db2.gz AQZZUKSJCZGRJQ-RDJZCZTQSA-N 2 2 341.459 1.343 20 0 EDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000516934870 448501608 /nfs/dbraw/zinc/50/16/08/448501608.db2.gz AQZZUKSJCZGRJQ-RDJZCZTQSA-N 2 2 341.459 1.343 20 0 EDADLP C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000566676630 448535616 /nfs/dbraw/zinc/53/56/16/448535616.db2.gz FWWZJXGTJPYPHQ-KRWDZBQOSA-N 2 2 326.444 1.932 20 0 EDADLP CC(C)n1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)nn1 ZINC000578693526 448610871 /nfs/dbraw/zinc/61/08/71/448610871.db2.gz ISVXCLLUXVFCPW-MRXNPFEDSA-N 2 2 348.520 1.999 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000584730231 448613328 /nfs/dbraw/zinc/61/33/28/448613328.db2.gz PIGOMISGJLZELN-AWEZNQCLSA-N 2 2 345.447 1.630 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000584730231 448613334 /nfs/dbraw/zinc/61/33/34/448613334.db2.gz PIGOMISGJLZELN-AWEZNQCLSA-N 2 2 345.447 1.630 20 0 EDADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C[N@@H+]1C1CC1 ZINC000566947840 448589393 /nfs/dbraw/zinc/58/93/93/448589393.db2.gz ZTHFESFAWIOBBI-QLFBSQMISA-N 2 2 331.464 1.722 20 0 EDADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C[N@H+]1C1CC1 ZINC000566947840 448589398 /nfs/dbraw/zinc/58/93/98/448589398.db2.gz ZTHFESFAWIOBBI-QLFBSQMISA-N 2 2 331.464 1.722 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000578609605 448590107 /nfs/dbraw/zinc/59/01/07/448590107.db2.gz LHPSCOCSWYVHQC-HUUCEWRRSA-N 2 2 347.463 1.452 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000573437201 448624863 /nfs/dbraw/zinc/62/48/63/448624863.db2.gz QZZCSEMPDOXOFA-LPHOPBHVSA-N 2 2 345.487 1.946 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000573437201 448624867 /nfs/dbraw/zinc/62/48/67/448624867.db2.gz QZZCSEMPDOXOFA-LPHOPBHVSA-N 2 2 345.487 1.946 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000517563223 448593925 /nfs/dbraw/zinc/59/39/25/448593925.db2.gz NFCIEXKVQVNVPH-QGZVFWFLSA-N 2 2 346.475 1.365 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000517563223 448593929 /nfs/dbraw/zinc/59/39/29/448593929.db2.gz NFCIEXKVQVNVPH-QGZVFWFLSA-N 2 2 346.475 1.365 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc3[nH+]ccn3c2)cn1 ZINC000517996386 448638617 /nfs/dbraw/zinc/63/86/17/448638617.db2.gz WKPJFDPDRZWWIR-UHFFFAOYSA-N 2 2 349.398 1.607 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573487341 448640455 /nfs/dbraw/zinc/64/04/55/448640455.db2.gz FITDQUWDPODFAT-MRXNPFEDSA-N 2 2 337.489 1.322 20 0 EDADLP CNS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573487341 448640459 /nfs/dbraw/zinc/64/04/59/448640459.db2.gz FITDQUWDPODFAT-MRXNPFEDSA-N 2 2 337.489 1.322 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000584824049 448643308 /nfs/dbraw/zinc/64/33/08/448643308.db2.gz LAKGIBUXMMZSNV-QGZVFWFLSA-N 2 2 339.528 1.140 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000584824049 448643323 /nfs/dbraw/zinc/64/33/23/448643323.db2.gz LAKGIBUXMMZSNV-QGZVFWFLSA-N 2 2 339.528 1.140 20 0 EDADLP CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567247103 448649178 /nfs/dbraw/zinc/64/91/78/448649178.db2.gz RBCAMFUEEMCAGZ-IAGOWNOFSA-N 2 2 336.455 1.677 20 0 EDADLP CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567247103 448649186 /nfs/dbraw/zinc/64/91/86/448649186.db2.gz RBCAMFUEEMCAGZ-IAGOWNOFSA-N 2 2 336.455 1.677 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000573786111 448711102 /nfs/dbraw/zinc/71/11/02/448711102.db2.gz YUNSCUOTACPHBU-CVEARBPZSA-N 2 2 325.416 1.766 20 0 EDADLP C[C@@H](CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000579117608 448719669 /nfs/dbraw/zinc/71/96/69/448719669.db2.gz NCEVVLNKABMADJ-LPHOPBHVSA-N 2 2 342.443 1.587 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000518416001 448675955 /nfs/dbraw/zinc/67/59/55/448675955.db2.gz DDALOFWCWNEXIX-UHFFFAOYSA-N 2 2 327.432 1.186 20 0 EDADLP COc1cc(Br)ccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519400934 448766827 /nfs/dbraw/zinc/76/68/27/448766827.db2.gz WWSXPIHVOGSLGI-CYBMUJFWSA-N 2 2 328.254 1.532 20 0 EDADLP COc1cc(Br)ccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519400934 448766831 /nfs/dbraw/zinc/76/68/31/448766831.db2.gz WWSXPIHVOGSLGI-CYBMUJFWSA-N 2 2 328.254 1.532 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)[C@H](C[NH3+])C1 ZINC000579332112 448767782 /nfs/dbraw/zinc/76/77/82/448767782.db2.gz RQYMSSABTPLUBT-SJORKVTESA-N 2 2 334.439 1.951 20 0 EDADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000567820884 448768139 /nfs/dbraw/zinc/76/81/39/448768139.db2.gz QXBGVTASIRFTJO-LJISPDSOSA-N 2 2 349.479 1.620 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+](C2CCC2)C1 ZINC000579545684 448815333 /nfs/dbraw/zinc/81/53/33/448815333.db2.gz LXBRSERIFQPILD-KBPBESRZSA-N 2 2 331.464 1.783 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+](C2CCC2)C1 ZINC000579545684 448815338 /nfs/dbraw/zinc/81/53/38/448815338.db2.gz LXBRSERIFQPILD-KBPBESRZSA-N 2 2 331.464 1.783 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+](C2CCC2)C1 ZINC000579545684 448815344 /nfs/dbraw/zinc/81/53/44/448815344.db2.gz LXBRSERIFQPILD-KBPBESRZSA-N 2 2 331.464 1.783 20 0 EDADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+](C2CCC2)C1 ZINC000579545684 448815349 /nfs/dbraw/zinc/81/53/49/448815349.db2.gz LXBRSERIFQPILD-KBPBESRZSA-N 2 2 331.464 1.783 20 0 EDADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000592278325 448771364 /nfs/dbraw/zinc/77/13/64/448771364.db2.gz JRAGEVGBCLZJFB-XHSDSOJGSA-N 2 2 339.480 1.013 20 0 EDADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000592278325 448771368 /nfs/dbraw/zinc/77/13/68/448771368.db2.gz JRAGEVGBCLZJFB-XHSDSOJGSA-N 2 2 339.480 1.013 20 0 EDADLP C[N@@H+]1CCN(C(=O)CCc2cc(Br)cs2)[C@@H](C[NH3+])C1 ZINC000519542096 448782482 /nfs/dbraw/zinc/78/24/82/448782482.db2.gz LEUZCWSSYJCBPL-NSHDSACASA-N 2 2 346.294 1.545 20 0 EDADLP C[N@H+]1CCN(C(=O)CCc2cc(Br)cs2)[C@@H](C[NH3+])C1 ZINC000519542096 448782487 /nfs/dbraw/zinc/78/24/87/448782487.db2.gz LEUZCWSSYJCBPL-NSHDSACASA-N 2 2 346.294 1.545 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519553316 448785543 /nfs/dbraw/zinc/78/55/43/448785543.db2.gz WCHAKHLTMZMKTF-BEFAXECRSA-N 2 2 344.459 1.476 20 0 EDADLP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519553316 448785547 /nfs/dbraw/zinc/78/55/47/448785547.db2.gz WCHAKHLTMZMKTF-BEFAXECRSA-N 2 2 344.459 1.476 20 0 EDADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000579451709 448794779 /nfs/dbraw/zinc/79/47/79/448794779.db2.gz VZOAUCVRNYAHNA-WBVHZDCISA-N 2 2 345.422 1.715 20 0 EDADLP C[C@@H]1CN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cn2)CCO1 ZINC000519698126 448822042 /nfs/dbraw/zinc/82/20/42/448822042.db2.gz KASGJXROCIZSCU-BJZITVGISA-N 2 2 346.475 1.163 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCCCCc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000574260992 448829417 /nfs/dbraw/zinc/82/94/17/448829417.db2.gz KUPCSQPADIWQCU-KRWDZBQOSA-N 2 2 336.455 1.823 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCCCCc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000574260992 448829422 /nfs/dbraw/zinc/82/94/22/448829422.db2.gz KUPCSQPADIWQCU-KRWDZBQOSA-N 2 2 336.455 1.823 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCC2CCc3ccccc3CC2)[C@@H](C[NH3+])C1 ZINC000529347154 448835268 /nfs/dbraw/zinc/83/52/68/448835268.db2.gz MTYRVVCHPISMJU-SFHVURJKSA-N 2 2 330.476 1.466 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC2CCc3ccccc3CC2)[C@@H](C[NH3+])C1 ZINC000529347154 448835272 /nfs/dbraw/zinc/83/52/72/448835272.db2.gz MTYRVVCHPISMJU-SFHVURJKSA-N 2 2 330.476 1.466 20 0 EDADLP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000574293282 448839929 /nfs/dbraw/zinc/83/99/29/448839929.db2.gz ZTODPXPMEKBWOL-UHFFFAOYSA-N 2 2 343.431 1.849 20 0 EDADLP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)Cc2c[nH]c[nH+]2)cc1 ZINC000574293282 448839935 /nfs/dbraw/zinc/83/99/35/448839935.db2.gz ZTODPXPMEKBWOL-UHFFFAOYSA-N 2 2 343.431 1.849 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592471164 448851958 /nfs/dbraw/zinc/85/19/58/448851958.db2.gz DQJYJKVJVNXHAQ-UHFFFAOYSA-N 2 2 331.416 1.628 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592471164 448851962 /nfs/dbraw/zinc/85/19/62/448851962.db2.gz DQJYJKVJVNXHAQ-UHFFFAOYSA-N 2 2 331.416 1.628 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000574463768 448879813 /nfs/dbraw/zinc/87/98/13/448879813.db2.gz VKYWMEXHLMAJSG-AWEZNQCLSA-N 2 2 330.436 1.056 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000574463768 448879819 /nfs/dbraw/zinc/87/98/19/448879819.db2.gz VKYWMEXHLMAJSG-AWEZNQCLSA-N 2 2 330.436 1.056 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000574463768 448879824 /nfs/dbraw/zinc/87/98/24/448879824.db2.gz VKYWMEXHLMAJSG-AWEZNQCLSA-N 2 2 330.436 1.056 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000574463768 448879827 /nfs/dbraw/zinc/87/98/27/448879827.db2.gz VKYWMEXHLMAJSG-AWEZNQCLSA-N 2 2 330.436 1.056 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000579822819 448885827 /nfs/dbraw/zinc/88/58/27/448885827.db2.gz YHJDCZFQWCKFRB-SJQORLFUSA-N 2 2 343.471 1.500 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)cc1Br ZINC000579708559 448858411 /nfs/dbraw/zinc/85/84/11/448858411.db2.gz PUZUUUJNOXKYPS-LBPRGKRZSA-N 2 2 340.265 1.781 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000520833114 448935615 /nfs/dbraw/zinc/93/56/15/448935615.db2.gz KXCVHEFIBPVHPO-MJGOQNOKSA-N 3 2 344.503 1.451 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000520833114 448935617 /nfs/dbraw/zinc/93/56/17/448935617.db2.gz KXCVHEFIBPVHPO-MJGOQNOKSA-N 3 2 344.503 1.451 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000588686702 448914016 /nfs/dbraw/zinc/91/40/16/448914016.db2.gz FHKFUMBWOVBMCZ-KRWDZBQOSA-N 2 2 328.412 1.998 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000588686702 448914019 /nfs/dbraw/zinc/91/40/19/448914019.db2.gz FHKFUMBWOVBMCZ-KRWDZBQOSA-N 2 2 328.412 1.998 20 0 EDADLP Cc1cc(NC[C@H]2CCCC[N@@H+]2CCO)nc(-c2ccncc2)[nH+]1 ZINC000574639249 448922877 /nfs/dbraw/zinc/92/28/77/448922877.db2.gz LUSUAWKTGWKGEP-MRXNPFEDSA-N 2 2 327.432 1.528 20 0 EDADLP Cc1cc(NC[C@H]2CCCC[N@H+]2CCO)nc(-c2ccncc2)[nH+]1 ZINC000574639249 448922882 /nfs/dbraw/zinc/92/28/82/448922882.db2.gz LUSUAWKTGWKGEP-MRXNPFEDSA-N 2 2 327.432 1.528 20 0 EDADLP Cc1cc(C)c(CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c[nH+]1 ZINC000520396643 448891124 /nfs/dbraw/zinc/89/11/24/448891124.db2.gz ANRYLRPLAZMBTK-OAHLLOKOSA-N 2 2 344.459 1.305 20 0 EDADLP COc1ccccc1[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000579838415 448891729 /nfs/dbraw/zinc/89/17/29/448891729.db2.gz UZKVKTDCASMMMC-WMLDXEAASA-N 2 2 342.443 1.873 20 0 EDADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529532196 448891753 /nfs/dbraw/zinc/89/17/53/448891753.db2.gz XBWQMRZVASNWMS-UHFFFAOYSA-N 2 2 326.444 1.908 20 0 EDADLP O=C(CC[NH2+]Cc1ccc(F)cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000529536990 448891950 /nfs/dbraw/zinc/89/19/50/448891950.db2.gz CCXQHQWHYKVEKW-UHFFFAOYSA-N 2 2 343.406 1.444 20 0 EDADLP O=C(CC[NH2+]C1CC1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000574769750 448953689 /nfs/dbraw/zinc/95/36/89/448953689.db2.gz AXQWZRLEWHFWMW-SFHVURJKSA-N 2 2 331.460 1.188 20 0 EDADLP CN(C)[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000574804116 448959583 /nfs/dbraw/zinc/95/95/83/448959583.db2.gz XUPNSSNRYSJWIW-WMLDXEAASA-N 2 2 325.884 1.987 20 0 EDADLP CN(C)[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804116 448959588 /nfs/dbraw/zinc/95/95/88/448959588.db2.gz XUPNSSNRYSJWIW-WMLDXEAASA-N 2 2 325.884 1.987 20 0 EDADLP C[NH+](C)[C@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804116 448959601 /nfs/dbraw/zinc/95/96/01/448959601.db2.gz XUPNSSNRYSJWIW-WMLDXEAASA-N 2 2 325.884 1.987 20 0 EDADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000520838167 448937941 /nfs/dbraw/zinc/93/79/41/448937941.db2.gz RSJLDAPCVVWPGF-UHFFFAOYSA-N 2 2 330.476 1.648 20 0 EDADLP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000521612458 449000763 /nfs/dbraw/zinc/00/07/63/449000763.db2.gz MLIHVDOWMOVLSF-CJNGLKHVSA-N 2 2 332.404 1.260 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000582072223 449005070 /nfs/dbraw/zinc/00/50/70/449005070.db2.gz QYMANJUUCHDWGB-ZDUSSCGKSA-N 2 2 343.431 1.782 20 0 EDADLP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C(F)(F)F ZINC000575059644 449025855 /nfs/dbraw/zinc/02/58/55/449025855.db2.gz CNVNXTBXUURDSH-OAGGEKHMSA-N 2 2 346.393 1.772 20 0 EDADLP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C(F)(F)F ZINC000575059644 449025858 /nfs/dbraw/zinc/02/58/58/449025858.db2.gz CNVNXTBXUURDSH-OAGGEKHMSA-N 2 2 346.393 1.772 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)C2 ZINC000592959418 449082725 /nfs/dbraw/zinc/08/27/25/449082725.db2.gz STUXLTNDCIMQTH-CYBMUJFWSA-N 2 2 328.420 1.189 20 0 EDADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216167 449083686 /nfs/dbraw/zinc/08/36/86/449083686.db2.gz NCROSUOYBQRCHE-CZUORRHYSA-N 2 2 337.489 1.886 20 0 EDADLP O=C(Nc1c[nH+]c2n1CCCC2)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000569558306 449042108 /nfs/dbraw/zinc/04/21/08/449042108.db2.gz MNJJLJRTZOVZCD-LJQANCHMSA-N 2 2 340.427 1.795 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000530220752 449086413 /nfs/dbraw/zinc/08/64/13/449086413.db2.gz CMYCKXCURIQLMZ-KRWDZBQOSA-N 2 2 348.878 1.970 20 0 EDADLP Cc1ncc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cn1 ZINC000590074417 449104543 /nfs/dbraw/zinc/10/45/43/449104543.db2.gz ZATIQVFQTHFOGH-IBGZPJMESA-N 2 2 325.460 1.863 20 0 EDADLP COC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604208240 449191521 /nfs/dbraw/zinc/19/15/21/449191521.db2.gz IEXUDVHVPYPKPQ-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP COC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000604208240 449191528 /nfs/dbraw/zinc/19/15/28/449191528.db2.gz IEXUDVHVPYPKPQ-CVEARBPZSA-N 2 2 338.496 1.223 20 0 EDADLP CCN(Cc1ccncc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604210164 449194116 /nfs/dbraw/zinc/19/41/16/449194116.db2.gz XXMRRODDMHCGQN-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP CCN(Cc1ccncc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604210164 449194120 /nfs/dbraw/zinc/19/41/20/449194120.db2.gz XXMRRODDMHCGQN-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP CC[C@H](C)[C@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604210129 449194885 /nfs/dbraw/zinc/19/48/85/449194885.db2.gz WLGFECXZFPTPAJ-RLFYNMQTSA-N 2 2 340.512 1.251 20 0 EDADLP CC[C@H](C)[C@](C)(O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604210129 449194889 /nfs/dbraw/zinc/19/48/89/449194889.db2.gz WLGFECXZFPTPAJ-RLFYNMQTSA-N 2 2 340.512 1.251 20 0 EDADLP C[NH+](C)CCN1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000590851764 449320368 /nfs/dbraw/zinc/32/03/68/449320368.db2.gz LBFNPRJYTNFYQC-KRWDZBQOSA-N 2 2 348.495 1.256 20 0 EDADLP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000590851764 449320372 /nfs/dbraw/zinc/32/03/72/449320372.db2.gz LBFNPRJYTNFYQC-KRWDZBQOSA-N 2 2 348.495 1.256 20 0 EDADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000594073726 449347320 /nfs/dbraw/zinc/34/73/20/449347320.db2.gz HAKLJSGSLLFECA-HZPDHXFCSA-N 2 2 340.512 1.659 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000605185841 449356809 /nfs/dbraw/zinc/35/68/09/449356809.db2.gz XMPZSDITWURFEB-IAGOWNOFSA-N 2 2 345.491 1.193 20 0 EDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000605185841 449356815 /nfs/dbraw/zinc/35/68/15/449356815.db2.gz XMPZSDITWURFEB-IAGOWNOFSA-N 2 2 345.491 1.193 20 0 EDADLP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000594259659 449415219 /nfs/dbraw/zinc/41/52/19/449415219.db2.gz BAJKVLRUKKOIHQ-UHFFFAOYSA-N 2 2 327.469 1.060 20 0 EDADLP C[C@H](OCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602197226 449425803 /nfs/dbraw/zinc/42/58/03/449425803.db2.gz YTOGJZOIMCIFLQ-WMZOPIPTSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@H](OCc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602197226 449425808 /nfs/dbraw/zinc/42/58/08/449425808.db2.gz YTOGJZOIMCIFLQ-WMZOPIPTSA-N 2 2 345.487 1.876 20 0 EDADLP C[C@@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000606681580 449504117 /nfs/dbraw/zinc/50/41/17/449504117.db2.gz HMLGRFWRKBSTRG-QLFBSQMISA-N 2 2 326.485 1.125 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000617344560 449567105 /nfs/dbraw/zinc/56/71/05/449567105.db2.gz LKBGETYLJAGMCF-MRXNPFEDSA-N 2 2 346.475 1.516 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cn2)C1 ZINC000617344560 449567111 /nfs/dbraw/zinc/56/71/11/449567111.db2.gz LKBGETYLJAGMCF-MRXNPFEDSA-N 2 2 346.475 1.516 20 0 EDADLP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)CCC2 ZINC000594496272 449557436 /nfs/dbraw/zinc/55/74/36/449557436.db2.gz YGZBZYVMAQIMNJ-WMZOPIPTSA-N 2 2 331.460 1.686 20 0 EDADLP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)CCC2 ZINC000594496272 449557439 /nfs/dbraw/zinc/55/74/39/449557439.db2.gz YGZBZYVMAQIMNJ-WMZOPIPTSA-N 2 2 331.460 1.686 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[nH]c1C ZINC000602471629 449617966 /nfs/dbraw/zinc/61/79/66/449617966.db2.gz BVMUMXRKVKBLER-MRXNPFEDSA-N 2 2 334.464 1.322 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[nH]c1C ZINC000602471629 449617972 /nfs/dbraw/zinc/61/79/72/449617972.db2.gz BVMUMXRKVKBLER-MRXNPFEDSA-N 2 2 334.464 1.322 20 0 EDADLP CCOC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)on1 ZINC000602484861 449626418 /nfs/dbraw/zinc/62/64/18/449626418.db2.gz JFMIAXSTYFXAIN-DAXOMENPSA-N 2 2 337.420 1.535 20 0 EDADLP CCOC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)on1 ZINC000602484861 449626419 /nfs/dbraw/zinc/62/64/19/449626419.db2.gz JFMIAXSTYFXAIN-DAXOMENPSA-N 2 2 337.420 1.535 20 0 EDADLP CCOC(=O)C1CC[NH+](Cc2cn(-c3cccc(C[NH3+])c3)nn2)CC1 ZINC000600975601 449626771 /nfs/dbraw/zinc/62/67/71/449626771.db2.gz HOFVHUTVMWXKRR-UHFFFAOYSA-N 2 2 343.431 1.501 20 0 EDADLP COC(=O)c1cc(CNC2CC[NH+](C3CC[NH+](C)CC3)CC2)on1 ZINC000602532955 449655894 /nfs/dbraw/zinc/65/58/94/449655894.db2.gz MEMFFULACYHYCB-UHFFFAOYSA-N 2 2 336.436 1.109 20 0 EDADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(OC(F)F)c1 ZINC000594736982 449658674 /nfs/dbraw/zinc/65/86/74/449658674.db2.gz UVTXVDJZPILCHZ-YPMHNXCESA-N 2 2 341.358 1.040 20 0 EDADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(OC(F)F)c1 ZINC000594736982 449658678 /nfs/dbraw/zinc/65/86/78/449658678.db2.gz UVTXVDJZPILCHZ-YPMHNXCESA-N 2 2 341.358 1.040 20 0 EDADLP C[NH2+]CCOCCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000602561233 449676259 /nfs/dbraw/zinc/67/62/59/449676259.db2.gz DIAOROFQZXZAHZ-UHFFFAOYSA-N 2 2 336.461 1.228 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cn1 ZINC000607729344 449642129 /nfs/dbraw/zinc/64/21/29/449642129.db2.gz RWTFEACXFVTPQT-ZBFHGGJFSA-N 2 2 328.420 1.449 20 0 EDADLP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)C2=O)cn1 ZINC000607729344 449642137 /nfs/dbraw/zinc/64/21/37/449642137.db2.gz RWTFEACXFVTPQT-ZBFHGGJFSA-N 2 2 328.420 1.449 20 0 EDADLP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[nH]c2c1C(=O)CCC2 ZINC000617504001 449647719 /nfs/dbraw/zinc/64/77/19/449647719.db2.gz DVRHHIWABQDQIG-ZDUSSCGKSA-N 2 2 348.491 1.844 20 0 EDADLP Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[nH]c2c1C(=O)CCC2 ZINC000617504001 449647721 /nfs/dbraw/zinc/64/77/21/449647721.db2.gz DVRHHIWABQDQIG-ZDUSSCGKSA-N 2 2 348.491 1.844 20 0 EDADLP CCOC(=O)C1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000599066003 449715303 /nfs/dbraw/zinc/71/53/03/449715303.db2.gz MMJLNFIDVGAOLV-NRXISQOPSA-N 2 2 325.453 1.038 20 0 EDADLP CCOC(=O)C1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000599066003 449715306 /nfs/dbraw/zinc/71/53/06/449715306.db2.gz MMJLNFIDVGAOLV-NRXISQOPSA-N 2 2 325.453 1.038 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602658447 449735730 /nfs/dbraw/zinc/73/57/30/449735730.db2.gz XVTLTUAISBSSDM-QGZVFWFLSA-N 2 2 348.491 1.792 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602658447 449735735 /nfs/dbraw/zinc/73/57/35/449735735.db2.gz XVTLTUAISBSSDM-QGZVFWFLSA-N 2 2 348.491 1.792 20 0 EDADLP CCOC(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602658447 449735741 /nfs/dbraw/zinc/73/57/41/449735741.db2.gz XVTLTUAISBSSDM-QGZVFWFLSA-N 2 2 348.491 1.792 20 0 EDADLP CCOC(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602658447 449735746 /nfs/dbraw/zinc/73/57/46/449735746.db2.gz XVTLTUAISBSSDM-QGZVFWFLSA-N 2 2 348.491 1.792 20 0 EDADLP CCn1cc[nH+]c1CN1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000601221090 449758115 /nfs/dbraw/zinc/75/81/15/449758115.db2.gz NDFGQWCPPDALIM-UHFFFAOYSA-N 2 2 348.495 1.216 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)n1 ZINC000608328008 449807321 /nfs/dbraw/zinc/80/73/21/449807321.db2.gz OUMWBTZVKZNKAW-UHFFFAOYSA-N 2 2 342.447 1.582 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000608361356 449817626 /nfs/dbraw/zinc/81/76/26/449817626.db2.gz OJHDXYGARUONIN-IAGOWNOFSA-N 2 2 334.464 1.840 20 0 EDADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608358260 449817978 /nfs/dbraw/zinc/81/79/78/449817978.db2.gz HIFWFELCRKCLHB-LJQANCHMSA-N 2 2 345.487 1.912 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc2ccc(F)cc2c1 ZINC000617765771 449826728 /nfs/dbraw/zinc/82/67/28/449826728.db2.gz PNOIQSVJHUZCPP-UHFFFAOYSA-N 2 2 332.423 1.987 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc2ccc(F)cc2c1 ZINC000617765771 449826733 /nfs/dbraw/zinc/82/67/33/449826733.db2.gz PNOIQSVJHUZCPP-UHFFFAOYSA-N 2 2 332.423 1.987 20 0 EDADLP C[C@@H]1CCN(c2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccn2)C1 ZINC000617765455 449827129 /nfs/dbraw/zinc/82/71/29/449827129.db2.gz BDCBOTPKAROEOB-MRXNPFEDSA-N 2 2 347.507 1.541 20 0 EDADLP C[C@@H]1CCN(c2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccn2)C1 ZINC000617765455 449827132 /nfs/dbraw/zinc/82/71/32/449827132.db2.gz BDCBOTPKAROEOB-MRXNPFEDSA-N 2 2 347.507 1.541 20 0 EDADLP CCOC(=O)C1(C)CC([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000601277753 449793870 /nfs/dbraw/zinc/79/38/70/449793870.db2.gz ZFLYKKXSXXJUJQ-TXKKKEFDSA-N 2 2 348.447 1.233 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000612752422 449868323 /nfs/dbraw/zinc/86/83/23/449868323.db2.gz LIOQGSWUMBZCEZ-NPCUJANDSA-N 2 2 332.448 1.234 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[nH]c1C ZINC000597224477 449881303 /nfs/dbraw/zinc/88/13/03/449881303.db2.gz HCRVVHKQDCGTME-MRXNPFEDSA-N 2 2 335.448 1.843 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000612723851 449849552 /nfs/dbraw/zinc/84/95/52/449849552.db2.gz BQESCHUJPIEVBD-DZUCGIPZSA-N 2 2 328.460 1.999 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000612723851 449849556 /nfs/dbraw/zinc/84/95/56/449849556.db2.gz BQESCHUJPIEVBD-DZUCGIPZSA-N 2 2 328.460 1.999 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000608700045 449914290 /nfs/dbraw/zinc/91/42/90/449914290.db2.gz MIALALOCBJTCQD-MRXNPFEDSA-N 2 2 349.479 1.545 20 0 EDADLP CCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@@H]1CC[N@H+](CC)C1 ZINC000617927319 449924012 /nfs/dbraw/zinc/92/40/12/449924012.db2.gz VYFJPQOGUVOULC-CYBMUJFWSA-N 2 2 344.463 1.591 20 0 EDADLP CCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000617927319 449924020 /nfs/dbraw/zinc/92/40/20/449924020.db2.gz VYFJPQOGUVOULC-CYBMUJFWSA-N 2 2 344.463 1.591 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612968801 449962525 /nfs/dbraw/zinc/96/25/25/449962525.db2.gz AGVWDPKGBJWYNU-MRXNPFEDSA-N 2 2 343.406 1.953 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000609257619 449984182 /nfs/dbraw/zinc/98/41/82/449984182.db2.gz AYFMNOGZOOTPKK-INIZCTEOSA-N 2 2 348.447 1.322 20 0 EDADLP CCOC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000609257619 449984188 /nfs/dbraw/zinc/98/41/88/449984188.db2.gz AYFMNOGZOOTPKK-INIZCTEOSA-N 2 2 348.447 1.322 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1C ZINC000601479086 450000592 /nfs/dbraw/zinc/00/05/92/450000592.db2.gz VBDUSKFVGBLLNO-QGZVFWFLSA-N 2 2 332.492 1.882 20 0 EDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1C ZINC000601479086 450000599 /nfs/dbraw/zinc/00/05/99/450000599.db2.gz VBDUSKFVGBLLNO-QGZVFWFLSA-N 2 2 332.492 1.882 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4ccccn4)no3)C2)CC1 ZINC000609338390 450013501 /nfs/dbraw/zinc/01/35/01/450013501.db2.gz STEABDQRMLHEON-HNNXBMFYSA-N 2 2 342.447 1.343 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4ccccn4)no3)C2)CC1 ZINC000609338390 450013509 /nfs/dbraw/zinc/01/35/09/450013509.db2.gz STEABDQRMLHEON-HNNXBMFYSA-N 2 2 342.447 1.343 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCOC[C@@H]3[C@H]3CCC[N@H+]3C)[nH+]c12 ZINC000615265582 450028624 /nfs/dbraw/zinc/02/86/24/450028624.db2.gz PKQZMTVGIPXPRG-IAGOWNOFSA-N 2 2 342.443 1.507 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCOC[C@@H]3[C@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000615265582 450028627 /nfs/dbraw/zinc/02/86/27/450028627.db2.gz PKQZMTVGIPXPRG-IAGOWNOFSA-N 2 2 342.443 1.507 20 0 EDADLP COC(=O)c1ccc([C@H](C)[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)o1 ZINC000609672696 450082644 /nfs/dbraw/zinc/08/26/44/450082644.db2.gz KPQPIEIRLIKAFR-LSDHHAIUSA-N 2 2 335.448 1.839 20 0 EDADLP COC(=O)c1ccc([C@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000609672696 450082648 /nfs/dbraw/zinc/08/26/48/450082648.db2.gz KPQPIEIRLIKAFR-LSDHHAIUSA-N 2 2 335.448 1.839 20 0 EDADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615559334 450147014 /nfs/dbraw/zinc/14/70/14/450147014.db2.gz XTOSNQRWSBHFOJ-HZPDHXFCSA-N 2 2 334.464 1.720 20 0 EDADLP CCn1cc[nH+]c1CN1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000625301318 450281407 /nfs/dbraw/zinc/28/14/07/450281407.db2.gz JMFOSOZKZDKJSD-UHFFFAOYSA-N 2 2 330.436 1.142 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000615779532 450235976 /nfs/dbraw/zinc/23/59/76/450235976.db2.gz QYMWUALIJNSGES-ZDUSSCGKSA-N 2 2 343.387 1.340 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000615779532 450235984 /nfs/dbraw/zinc/23/59/84/450235984.db2.gz QYMWUALIJNSGES-ZDUSSCGKSA-N 2 2 343.387 1.340 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc([S@](C)=O)c3)C2)CC1 ZINC000613774691 450309531 /nfs/dbraw/zinc/30/95/31/450309531.db2.gz UTLCVDCDTHTMDF-OWJWWREXSA-N 2 2 349.500 1.322 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc([S@](C)=O)c3)C2)CC1 ZINC000613774691 450309533 /nfs/dbraw/zinc/30/95/33/450309533.db2.gz UTLCVDCDTHTMDF-OWJWWREXSA-N 2 2 349.500 1.322 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](Cc2ccccc2)C1 ZINC000616549417 450446048 /nfs/dbraw/zinc/44/60/48/450446048.db2.gz CAGSLPBHOIDBDT-HKUYNNGSSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](Cc2ccccc2)C1 ZINC000616549417 450446050 /nfs/dbraw/zinc/44/60/50/450446050.db2.gz CAGSLPBHOIDBDT-HKUYNNGSSA-N 2 2 338.455 1.831 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000623258912 450467494 /nfs/dbraw/zinc/46/74/94/450467494.db2.gz JSINLTBLTGIUOE-MSOLQXFVSA-N 2 2 338.455 1.879 20 0 EDADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000623258912 450467497 /nfs/dbraw/zinc/46/74/97/450467497.db2.gz JSINLTBLTGIUOE-MSOLQXFVSA-N 2 2 338.455 1.879 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)CC1 ZINC000616867493 450504260 /nfs/dbraw/zinc/50/42/60/450504260.db2.gz XADRANALMMHCMU-OAHLLOKOSA-N 2 2 336.480 1.716 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000623409003 450517124 /nfs/dbraw/zinc/51/71/24/450517124.db2.gz MMSYWVQMNYZLEC-ROUUACIJSA-N 2 2 346.475 1.453 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000623409003 450517127 /nfs/dbraw/zinc/51/71/27/450517127.db2.gz MMSYWVQMNYZLEC-ROUUACIJSA-N 2 2 346.475 1.453 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000623633947 450555533 /nfs/dbraw/zinc/55/55/33/450555533.db2.gz KTRNWGOFTWNTCP-HRCADAONSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000623633947 450555535 /nfs/dbraw/zinc/55/55/35/450555535.db2.gz KTRNWGOFTWNTCP-HRCADAONSA-N 2 2 326.485 1.127 20 0 EDADLP COc1cccc([C@H](NC(=O)Cn2c[nH+]cc2C)c2[nH+]ccn2C)c1 ZINC000623640648 450558241 /nfs/dbraw/zinc/55/82/41/450558241.db2.gz RDSXATKIDTUHDJ-KRWDZBQOSA-N 2 2 339.399 1.839 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)CC(C)C ZINC000623706292 450568514 /nfs/dbraw/zinc/56/85/14/450568514.db2.gz SWGANACYAZHSLW-CVEARBPZSA-N 2 2 328.501 1.373 20 0 EDADLP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)CC(C)C ZINC000623706292 450568516 /nfs/dbraw/zinc/56/85/16/450568516.db2.gz SWGANACYAZHSLW-CVEARBPZSA-N 2 2 328.501 1.373 20 0 EDADLP CC(C)n1c[nH+]cc1C[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000623779888 450582938 /nfs/dbraw/zinc/58/29/38/450582938.db2.gz SZEUYHZXSYKIEK-UHFFFAOYSA-N 2 2 330.388 1.964 20 0 EDADLP Nc1nc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000623801526 450593277 /nfs/dbraw/zinc/59/32/77/450593277.db2.gz ZTQXWTIIGREPBF-LBPRGKRZSA-N 2 2 333.827 1.021 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3ncon3)C2)CC[N@@H+]1C ZINC000633000161 450602862 /nfs/dbraw/zinc/60/28/62/450602862.db2.gz YGYUNLRKMHSFRJ-QLFBSQMISA-N 2 2 335.452 1.128 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3ncon3)C2)CC[N@H+]1C ZINC000633000161 450602867 /nfs/dbraw/zinc/60/28/67/450602867.db2.gz YGYUNLRKMHSFRJ-QLFBSQMISA-N 2 2 335.452 1.128 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)CC[NH+]1C ZINC000633000161 450602873 /nfs/dbraw/zinc/60/28/73/450602873.db2.gz YGYUNLRKMHSFRJ-QLFBSQMISA-N 2 2 335.452 1.128 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)CC[NH+]1C ZINC000633000161 450602879 /nfs/dbraw/zinc/60/28/79/450602879.db2.gz YGYUNLRKMHSFRJ-QLFBSQMISA-N 2 2 335.452 1.128 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC[NH2+]1 ZINC000621158481 450605957 /nfs/dbraw/zinc/60/59/57/450605957.db2.gz QFAKRGCGFPLZAF-NEPJUHHUSA-N 2 2 332.370 1.913 20 0 EDADLP COC[C@]1(C)C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000626173476 450607575 /nfs/dbraw/zinc/60/75/75/450607575.db2.gz WAXSKKSHOCUYOV-APWZRJJASA-N 2 2 347.459 1.751 20 0 EDADLP COC[C@]1(C)C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCO1 ZINC000626173476 450607582 /nfs/dbraw/zinc/60/75/82/450607582.db2.gz WAXSKKSHOCUYOV-APWZRJJASA-N 2 2 347.459 1.751 20 0 EDADLP Cc1cc(CO)cc(NCc2cc[nH+]c(N3CCSCC3)c2)[nH+]1 ZINC000631506006 450627136 /nfs/dbraw/zinc/62/71/36/450627136.db2.gz VXNWUZPHSWHJKI-UHFFFAOYSA-N 2 2 330.457 2.443 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]31)CC2 ZINC000626227050 450635602 /nfs/dbraw/zinc/63/56/02/450635602.db2.gz HWUQGBAJDJOJCQ-LTIDMASMSA-N 2 2 346.475 1.464 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000629414554 450659906 /nfs/dbraw/zinc/65/99/06/450659906.db2.gz CAIBRURBTDJUQS-HNNXBMFYSA-N 2 2 346.475 1.618 20 0 EDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000629414554 450659909 /nfs/dbraw/zinc/65/99/09/450659909.db2.gz CAIBRURBTDJUQS-HNNXBMFYSA-N 2 2 346.475 1.618 20 0 EDADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000623988388 450662015 /nfs/dbraw/zinc/66/20/15/450662015.db2.gz HUPVQRYAYCBAJE-IRXDYDNUSA-N 2 2 338.496 1.413 20 0 EDADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000623988388 450662025 /nfs/dbraw/zinc/66/20/25/450662025.db2.gz HUPVQRYAYCBAJE-IRXDYDNUSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000623988388 450662032 /nfs/dbraw/zinc/66/20/32/450662032.db2.gz HUPVQRYAYCBAJE-IRXDYDNUSA-N 2 2 338.496 1.413 20 0 EDADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000623988388 450662036 /nfs/dbraw/zinc/66/20/36/450662036.db2.gz HUPVQRYAYCBAJE-IRXDYDNUSA-N 2 2 338.496 1.413 20 0 EDADLP CNS(=O)(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000621291981 450662880 /nfs/dbraw/zinc/66/28/80/450662880.db2.gz KGGFCWKPKYASDI-AWEZNQCLSA-N 2 2 345.534 1.359 20 0 EDADLP CNS(=O)(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000621291981 450662885 /nfs/dbraw/zinc/66/28/85/450662885.db2.gz KGGFCWKPKYASDI-AWEZNQCLSA-N 2 2 345.534 1.359 20 0 EDADLP CNS(=O)(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000621291981 450662890 /nfs/dbraw/zinc/66/28/90/450662890.db2.gz KGGFCWKPKYASDI-AWEZNQCLSA-N 2 2 345.534 1.359 20 0 EDADLP CNS(=O)(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000621291981 450662894 /nfs/dbraw/zinc/66/28/94/450662894.db2.gz KGGFCWKPKYASDI-AWEZNQCLSA-N 2 2 345.534 1.359 20 0 EDADLP FC(F)(F)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)n1cccn1 ZINC000624045448 450682932 /nfs/dbraw/zinc/68/29/32/450682932.db2.gz IJDGMFRPGRLRAN-KBPBESRZSA-N 2 2 332.370 1.829 20 0 EDADLP O[C@H](C[NH2+]Cc1ccnn1CCc1ccccc1)C[NH+]1CCCC1 ZINC000621330363 450687426 /nfs/dbraw/zinc/68/74/26/450687426.db2.gz IWVXCMBJJFEDLJ-LJQANCHMSA-N 2 2 328.460 1.672 20 0 EDADLP CC(C)[N@@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000624090035 450703096 /nfs/dbraw/zinc/70/30/96/450703096.db2.gz GWLOVBHBSFKHGI-OLZOCXBDSA-N 2 2 349.389 1.033 20 0 EDADLP CC(C)[N@H+]1CC[C@@H](Nc2nc(N)[nH+]c(N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000624090035 450703104 /nfs/dbraw/zinc/70/31/04/450703104.db2.gz GWLOVBHBSFKHGI-OLZOCXBDSA-N 2 2 349.389 1.033 20 0 EDADLP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)n1cncn1 ZINC000631690699 450716660 /nfs/dbraw/zinc/71/66/60/450716660.db2.gz IISLSCHYFDMRAX-KBPBESRZSA-N 2 2 347.385 1.615 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000629526922 450726036 /nfs/dbraw/zinc/72/60/36/450726036.db2.gz DOYUNHMZBGHVNR-WCFLWFBJSA-N 2 2 328.254 1.729 20 0 EDADLP CCC(CC)[C@H](CNC[C@H](O)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000629554316 450733516 /nfs/dbraw/zinc/73/35/16/450733516.db2.gz FOOXAYLVCNFEJX-ROUUACIJSA-N 2 2 327.513 1.170 20 0 EDADLP CC1CCN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cn2)CC1 ZINC000629556080 450734641 /nfs/dbraw/zinc/73/46/41/450734641.db2.gz UMNQVAIUAIRVLQ-GOSISDBHSA-N 2 2 332.492 1.864 20 0 EDADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629571512 450742268 /nfs/dbraw/zinc/74/22/68/450742268.db2.gz VNSZRSYIDUEGNE-APWZRJJASA-N 3 2 332.492 1.653 20 0 EDADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000629572654 450742427 /nfs/dbraw/zinc/74/24/27/450742427.db2.gz ZYJVCMHYYJHQNB-UHFFFAOYSA-N 2 2 326.347 1.683 20 0 EDADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000629572654 450742429 /nfs/dbraw/zinc/74/24/29/450742429.db2.gz ZYJVCMHYYJHQNB-UHFFFAOYSA-N 2 2 326.347 1.683 20 0 EDADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Br)cc1F ZINC000629578033 450745907 /nfs/dbraw/zinc/74/59/07/450745907.db2.gz VZSJJWJLUACOND-UHFFFAOYSA-N 2 2 348.216 1.434 20 0 EDADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Br)cc1F ZINC000629578033 450745911 /nfs/dbraw/zinc/74/59/11/450745911.db2.gz VZSJJWJLUACOND-UHFFFAOYSA-N 2 2 348.216 1.434 20 0 EDADLP O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000621641751 450806947 /nfs/dbraw/zinc/80/69/47/450806947.db2.gz VLBSTRWJQWVNMB-HKUYNNGSSA-N 2 2 345.487 1.956 20 0 EDADLP CC1CCC(N(C(=O)C[NH+]2CCC([NH2+]CCO)CC2)C2CC2)CC1 ZINC000631864183 450833064 /nfs/dbraw/zinc/83/30/64/450833064.db2.gz LZQPAJGGOSXJFS-UHFFFAOYSA-N 2 2 337.508 1.602 20 0 EDADLP O[C@@H]1CC[N@@H+](C2CCN(c3nc4ccccc4n4c[nH+]cc34)CC2)C1 ZINC000624410315 450838831 /nfs/dbraw/zinc/83/88/31/450838831.db2.gz OUEKWSJYHAIYOI-OAHLLOKOSA-N 2 2 337.427 1.918 20 0 EDADLP O[C@@H]1CC[N@H+](C2CCN(c3nc4ccccc4n4c[nH+]cc34)CC2)C1 ZINC000624410315 450838833 /nfs/dbraw/zinc/83/88/33/450838833.db2.gz OUEKWSJYHAIYOI-OAHLLOKOSA-N 2 2 337.427 1.918 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885555 450846069 /nfs/dbraw/zinc/84/60/69/450846069.db2.gz BTVIZKTUMGFANQ-NVXWUHKLSA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885555 450846073 /nfs/dbraw/zinc/84/60/73/450846073.db2.gz BTVIZKTUMGFANQ-NVXWUHKLSA-N 2 2 331.460 1.728 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1cccc2nsnc21 ZINC000631886586 450847674 /nfs/dbraw/zinc/84/76/74/450847674.db2.gz KPCMHOCJVDUISS-RISCZKNCSA-N 2 2 331.445 1.704 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1cccc2nsnc21 ZINC000631886586 450847676 /nfs/dbraw/zinc/84/76/76/450847676.db2.gz KPCMHOCJVDUISS-RISCZKNCSA-N 2 2 331.445 1.704 20 0 EDADLP [NH3+][C@@]12CCC[C@@H]1CN(CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000621781934 450866066 /nfs/dbraw/zinc/86/60/66/450866066.db2.gz KHFGONVWTGBHOC-CRAIPNDOSA-N 2 2 348.516 1.206 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000635396994 450903915 /nfs/dbraw/zinc/90/39/15/450903915.db2.gz DNIAXBMFEWZWDX-SFHVURJKSA-N 2 2 342.443 1.981 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000635396994 450903917 /nfs/dbraw/zinc/90/39/17/450903917.db2.gz DNIAXBMFEWZWDX-SFHVURJKSA-N 2 2 342.443 1.981 20 0 EDADLP COCC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCCC1 ZINC000621901597 450927242 /nfs/dbraw/zinc/92/72/42/450927242.db2.gz CHRHDCFXKPVLAQ-UHFFFAOYSA-N 2 2 325.497 1.726 20 0 EDADLP Cc1ccc(COCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000621901590 450927650 /nfs/dbraw/zinc/92/76/50/450927650.db2.gz CCIKUGBFARBQSR-UHFFFAOYSA-N 2 2 333.476 1.654 20 0 EDADLP C[C@](O)(C[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000630043776 450976724 /nfs/dbraw/zinc/97/67/24/450976724.db2.gz UTUAKUZCQYBTCR-BZSNNMDCSA-N 2 2 326.481 1.085 20 0 EDADLP C[C@](O)(C[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000630043776 450976731 /nfs/dbraw/zinc/97/67/31/450976731.db2.gz UTUAKUZCQYBTCR-BZSNNMDCSA-N 2 2 326.481 1.085 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC[N@@H+]1C ZINC000633681217 450980375 /nfs/dbraw/zinc/98/03/75/450980375.db2.gz MYWFJBSCFCZYHV-LSDHHAIUSA-N 2 2 333.480 2.167 20 0 EDADLP CC[C@@H]1[C@@H](C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC[N@H+]1C ZINC000633681217 450980381 /nfs/dbraw/zinc/98/03/81/450980381.db2.gz MYWFJBSCFCZYHV-LSDHHAIUSA-N 2 2 333.480 2.167 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626939467 451020541 /nfs/dbraw/zinc/02/05/41/451020541.db2.gz FNPZZTVQWLEXMW-UTUOFQBUSA-N 2 2 333.358 1.440 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)C[N@H+](C)CCc2ccccc2)n1C ZINC000635557866 451055555 /nfs/dbraw/zinc/05/55/55/451055555.db2.gz VYIOUDISJDNTJC-UHFFFAOYSA-N 2 2 329.448 1.277 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)C[N@@H+](C)CCc2ccccc2)n1C ZINC000635557866 451055558 /nfs/dbraw/zinc/05/55/58/451055558.db2.gz VYIOUDISJDNTJC-UHFFFAOYSA-N 2 2 329.448 1.277 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897620 451081925 /nfs/dbraw/zinc/08/19/25/451081925.db2.gz FAIVZUVMYMOJSM-GOSISDBHSA-N 2 2 329.444 1.663 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633897620 451081928 /nfs/dbraw/zinc/08/19/28/451081928.db2.gz FAIVZUVMYMOJSM-GOSISDBHSA-N 2 2 329.444 1.663 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635551304 451048169 /nfs/dbraw/zinc/04/81/69/451048169.db2.gz LAEFFSJEJMQTRU-HNNXBMFYSA-N 3 2 333.480 1.291 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635551304 451048172 /nfs/dbraw/zinc/04/81/72/451048172.db2.gz LAEFFSJEJMQTRU-HNNXBMFYSA-N 3 2 333.480 1.291 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635552881 451049647 /nfs/dbraw/zinc/04/96/47/451049647.db2.gz VECYMCCBLBZURS-QGZVFWFLSA-N 3 2 347.507 1.633 20 0 EDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635552881 451049649 /nfs/dbraw/zinc/04/96/49/451049649.db2.gz VECYMCCBLBZURS-QGZVFWFLSA-N 3 2 347.507 1.633 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(Nc4ccccc4)CC3)C2)CC1 ZINC000635552373 451050295 /nfs/dbraw/zinc/05/02/95/451050295.db2.gz USVNQQHJMGHWPE-QGZVFWFLSA-N 2 2 342.487 1.916 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(Nc4ccccc4)CC3)C2)CC1 ZINC000635552373 451050300 /nfs/dbraw/zinc/05/03/00/451050300.db2.gz USVNQQHJMGHWPE-QGZVFWFLSA-N 2 2 342.487 1.916 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[NH+](CCCF)CC1 ZINC000627957860 451050644 /nfs/dbraw/zinc/05/06/44/451050644.db2.gz VFKHKCCVVUZKDV-UHFFFAOYSA-N 2 2 349.450 1.636 20 0 EDADLP COCCC[N@H+](C)CCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635624520 451113935 /nfs/dbraw/zinc/11/39/35/451113935.db2.gz PRUAZZGGWJUJQZ-UHFFFAOYSA-N 2 2 332.404 1.276 20 0 EDADLP COCCC[N@@H+](C)CCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635624520 451113940 /nfs/dbraw/zinc/11/39/40/451113940.db2.gz PRUAZZGGWJUJQZ-UHFFFAOYSA-N 2 2 332.404 1.276 20 0 EDADLP Cc1[nH+]c[nH]c1CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635637568 451125350 /nfs/dbraw/zinc/12/53/50/451125350.db2.gz KWCRQQBOBRRANL-UHFFFAOYSA-N 2 2 342.403 1.265 20 0 EDADLP CCc1c[nH]c(CC(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)[nH+]1 ZINC000635651175 451135978 /nfs/dbraw/zinc/13/59/78/451135978.db2.gz UTOXMWXHUZSXRZ-UHFFFAOYSA-N 2 2 329.404 1.653 20 0 EDADLP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000628124824 451147186 /nfs/dbraw/zinc/14/71/86/451147186.db2.gz XWFCGCWEBSJQRC-SFHVURJKSA-N 2 2 331.460 1.613 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCc2csc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000627223774 451195405 /nfs/dbraw/zinc/19/54/05/451195405.db2.gz FTLOQKSHSAEHFL-JTQLQIEISA-N 2 2 336.383 1.551 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2csc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000627223774 451195411 /nfs/dbraw/zinc/19/54/11/451195411.db2.gz FTLOQKSHSAEHFL-JTQLQIEISA-N 2 2 336.383 1.551 20 0 EDADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000627249409 451208373 /nfs/dbraw/zinc/20/83/73/451208373.db2.gz IVIOXGUFAFAUBS-DJIMGWMZSA-N 2 2 325.416 1.773 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccn1 ZINC000635747412 451216794 /nfs/dbraw/zinc/21/67/94/451216794.db2.gz SUDSZVYSUSBNIX-ZIAGYGMSSA-N 2 2 329.404 1.165 20 0 EDADLP C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccn1 ZINC000635747412 451216796 /nfs/dbraw/zinc/21/67/96/451216796.db2.gz SUDSZVYSUSBNIX-ZIAGYGMSSA-N 2 2 329.404 1.165 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000635786953 451239803 /nfs/dbraw/zinc/23/98/03/451239803.db2.gz UTXODSGSSDBYNB-QGZVFWFLSA-N 2 2 342.443 1.398 20 0 EDADLP CCc1c[nH]c(CC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000635786953 451239807 /nfs/dbraw/zinc/23/98/07/451239807.db2.gz UTXODSGSSDBYNB-QGZVFWFLSA-N 2 2 342.443 1.398 20 0 EDADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000638082610 451246771 /nfs/dbraw/zinc/24/67/71/451246771.db2.gz HKGCQFYSFRHVBI-SUMWQHHRSA-N 2 2 332.379 1.395 20 0 EDADLP OCCCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000638119041 451286239 /nfs/dbraw/zinc/28/62/39/451286239.db2.gz HHMXBMRTJQIHNW-GOSISDBHSA-N 2 2 348.487 1.992 20 0 EDADLP OCCCCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000638119041 451286246 /nfs/dbraw/zinc/28/62/46/451286246.db2.gz HHMXBMRTJQIHNW-GOSISDBHSA-N 2 2 348.487 1.992 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC000635818712 451267231 /nfs/dbraw/zinc/26/72/31/451267231.db2.gz KXNHTKQJAYZGFY-IAGOWNOFSA-N 2 2 333.476 1.074 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+](C)CCc2ccccc2)[C@H](C)C1 ZINC000635818712 451267238 /nfs/dbraw/zinc/26/72/38/451267238.db2.gz KXNHTKQJAYZGFY-IAGOWNOFSA-N 2 2 333.476 1.074 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@H](C)C1 ZINC000635818712 451267241 /nfs/dbraw/zinc/26/72/41/451267241.db2.gz KXNHTKQJAYZGFY-IAGOWNOFSA-N 2 2 333.476 1.074 20 0 EDADLP C[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000638172808 451336529 /nfs/dbraw/zinc/33/65/29/451336529.db2.gz QWDLZUGTICQZSP-XJKSGUPXSA-N 2 2 334.445 1.614 20 0 EDADLP C[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1n1cc[nH+]c1 ZINC000638172808 451336532 /nfs/dbraw/zinc/33/65/32/451336532.db2.gz QWDLZUGTICQZSP-XJKSGUPXSA-N 2 2 334.445 1.614 20 0 EDADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533856 451383448 /nfs/dbraw/zinc/38/34/48/451383448.db2.gz XOAANPCGAPANHK-CQSZACIVSA-N 2 2 335.500 1.779 20 0 EDADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533856 451383457 /nfs/dbraw/zinc/38/34/57/451383457.db2.gz XOAANPCGAPANHK-CQSZACIVSA-N 2 2 335.500 1.779 20 0 EDADLP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000638181684 451343667 /nfs/dbraw/zinc/34/36/67/451343667.db2.gz IRFJMCSXIQDMBX-IEBWSBKVSA-N 2 2 334.460 1.600 20 0 EDADLP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000638181684 451343671 /nfs/dbraw/zinc/34/36/71/451343671.db2.gz IRFJMCSXIQDMBX-IEBWSBKVSA-N 2 2 334.460 1.600 20 0 EDADLP CC1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]CC1 ZINC000640491613 451344693 /nfs/dbraw/zinc/34/46/93/451344693.db2.gz JBHUTQIDKWXFJI-UHFFFAOYSA-N 2 2 331.464 1.299 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)cc1 ZINC000635956257 451394943 /nfs/dbraw/zinc/39/49/43/451394943.db2.gz WJNKRNLHDKSLPN-NXHRZFHOSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)cc1 ZINC000635956257 451394947 /nfs/dbraw/zinc/39/49/47/451394947.db2.gz WJNKRNLHDKSLPN-NXHRZFHOSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000635956257 451394952 /nfs/dbraw/zinc/39/49/52/451394952.db2.gz WJNKRNLHDKSLPN-NXHRZFHOSA-N 2 2 329.444 1.432 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1 ZINC000635956257 451394957 /nfs/dbraw/zinc/39/49/57/451394957.db2.gz WJNKRNLHDKSLPN-NXHRZFHOSA-N 2 2 329.444 1.432 20 0 EDADLP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)N1CC[NH2+]CC1=O ZINC000638281670 451399229 /nfs/dbraw/zinc/39/92/29/451399229.db2.gz VKHZTFZBCUMWHZ-HNNXBMFYSA-N 2 2 344.459 1.084 20 0 EDADLP CCc1[nH+]c2cc(CNC(=O)[C@]3(C)C[NH2+]CCO3)ccc2n1C1CC1 ZINC000638326525 451434303 /nfs/dbraw/zinc/43/43/03/451434303.db2.gz ZSDUMCHABIYUFK-IBGZPJMESA-N 2 2 342.443 1.928 20 0 EDADLP C[C@](O)(C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000634642091 451435013 /nfs/dbraw/zinc/43/50/13/451435013.db2.gz FABBURQEKSIMQI-MOPGFXCFSA-N 2 2 333.476 1.548 20 0 EDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634643439 451435826 /nfs/dbraw/zinc/43/58/26/451435826.db2.gz BPLWQTNNEVYUPN-NZSAHSFTSA-N 2 2 348.487 1.704 20 0 EDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634643439 451435830 /nfs/dbraw/zinc/43/58/30/451435830.db2.gz BPLWQTNNEVYUPN-NZSAHSFTSA-N 2 2 348.487 1.704 20 0 EDADLP CN(C)c1cc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)cc[nH+]1 ZINC000640608706 451454772 /nfs/dbraw/zinc/45/47/72/451454772.db2.gz DURKYFJIXBAUJX-UHFFFAOYSA-N 2 2 334.468 1.295 20 0 EDADLP CN(C)CC[NH+]1CCC(NC(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000640608706 451454777 /nfs/dbraw/zinc/45/47/77/451454777.db2.gz DURKYFJIXBAUJX-UHFFFAOYSA-N 2 2 334.468 1.295 20 0 EDADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638368251 451466674 /nfs/dbraw/zinc/46/66/74/451466674.db2.gz TYXKIYHSZFOQJS-INIZCTEOSA-N 2 2 335.448 1.264 20 0 EDADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@H](C3CC[NH2+]CC3)C1)CC2 ZINC000638401752 451490905 /nfs/dbraw/zinc/49/09/05/451490905.db2.gz WUDLPRFVXZMLKM-SJORKVTESA-N 2 2 330.476 1.992 20 0 EDADLP CN(C(=O)C[N@H+](C)CCc1ccccc1)C(C)(C)C[NH+]1CCOCC1 ZINC000636028422 451448903 /nfs/dbraw/zinc/44/89/03/451448903.db2.gz DFPLCKFDNKTBHD-UHFFFAOYSA-N 2 2 347.503 1.730 20 0 EDADLP CN(C(=O)C[N@@H+](C)CCc1ccccc1)C(C)(C)C[NH+]1CCOCC1 ZINC000636028422 451448909 /nfs/dbraw/zinc/44/89/09/451448909.db2.gz DFPLCKFDNKTBHD-UHFFFAOYSA-N 2 2 347.503 1.730 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000632666063 451501712 /nfs/dbraw/zinc/50/17/12/451501712.db2.gz KWXORRPLCSXZPP-AWEZNQCLSA-N 2 2 342.443 1.994 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000632666063 451501717 /nfs/dbraw/zinc/50/17/17/451501717.db2.gz KWXORRPLCSXZPP-AWEZNQCLSA-N 2 2 342.443 1.994 20 0 EDADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631044584 451550038 /nfs/dbraw/zinc/55/00/38/451550038.db2.gz MHXFITGWRRQPLO-LJQANCHMSA-N 3 2 347.503 1.829 20 0 EDADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631044584 451550045 /nfs/dbraw/zinc/55/00/45/451550045.db2.gz MHXFITGWRRQPLO-LJQANCHMSA-N 3 2 347.503 1.829 20 0 EDADLP NS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000631045881 451551368 /nfs/dbraw/zinc/55/13/68/451551368.db2.gz WLEDDTIRFIHTQD-OLZOCXBDSA-N 2 2 343.880 1.704 20 0 EDADLP NS(=O)(=O)c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Cl ZINC000631045881 451551373 /nfs/dbraw/zinc/55/13/73/451551373.db2.gz WLEDDTIRFIHTQD-OLZOCXBDSA-N 2 2 343.880 1.704 20 0 EDADLP Cc1scc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1C ZINC000631077427 451570885 /nfs/dbraw/zinc/57/08/85/451570885.db2.gz ZXJQMOGQCUHGNT-MRXNPFEDSA-N 2 2 337.489 1.388 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000636874634 451573681 /nfs/dbraw/zinc/57/36/81/451573681.db2.gz UNEYSAYLGFRXAG-QGZVFWFLSA-N 2 2 346.475 1.665 20 0 EDADLP Cc1cc(C(=O)Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c(C)n1C ZINC000640800460 451594309 /nfs/dbraw/zinc/59/43/09/451594309.db2.gz SOTUUEWJVUBTDC-UHFFFAOYSA-N 2 2 344.463 1.082 20 0 EDADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000632876722 451627944 /nfs/dbraw/zinc/62/79/44/451627944.db2.gz WQWSTPAZHFKAPH-UHFFFAOYSA-N 2 2 328.420 1.611 20 0 EDADLP Cc1nc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)nc(N)[nH+]1 ZINC000631191560 451634733 /nfs/dbraw/zinc/63/47/33/451634733.db2.gz DYFKOPIIJQDKTP-UHFFFAOYSA-N 2 2 342.447 1.313 20 0 EDADLP Cc1nc(N)nc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)[nH+]1 ZINC000631191560 451634736 /nfs/dbraw/zinc/63/47/36/451634736.db2.gz DYFKOPIIJQDKTP-UHFFFAOYSA-N 2 2 342.447 1.313 20 0 EDADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(CC34CC(C3)C[NH2+]4)CC2)n1 ZINC000634993535 451639552 /nfs/dbraw/zinc/63/95/52/451639552.db2.gz XPDSHCILWSCORD-CBCUQQMYSA-N 2 2 335.452 1.037 20 0 EDADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(CC34CC(C3)C[NH2+]4)CC2)n1 ZINC000634993535 451639556 /nfs/dbraw/zinc/63/95/56/451639556.db2.gz XPDSHCILWSCORD-CBCUQQMYSA-N 2 2 335.452 1.037 20 0 EDADLP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634993822 451640115 /nfs/dbraw/zinc/64/01/15/451640115.db2.gz HIVJDMPUGRIRPG-SYJJWHGVSA-N 2 2 349.500 1.971 20 0 EDADLP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634993822 451640122 /nfs/dbraw/zinc/64/01/22/451640122.db2.gz HIVJDMPUGRIRPG-SYJJWHGVSA-N 2 2 349.500 1.971 20 0 EDADLP CN(C(=O)c1ncc2n1CCCC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247148 451660177 /nfs/dbraw/zinc/66/01/77/451660177.db2.gz PNCJUAUTVSDMNJ-QGZVFWFLSA-N 2 2 345.491 1.460 20 0 EDADLP CN(C(=O)c1ncc2n1CCCC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247148 451660182 /nfs/dbraw/zinc/66/01/82/451660182.db2.gz PNCJUAUTVSDMNJ-QGZVFWFLSA-N 2 2 345.491 1.460 20 0 EDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638772302 451685804 /nfs/dbraw/zinc/68/58/04/451685804.db2.gz ODCAHNLURUNWIR-CQSZACIVSA-N 2 2 334.386 1.640 20 0 EDADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(CO)cc3)[nH+]c2)C1 ZINC000638790192 451692696 /nfs/dbraw/zinc/69/26/96/451692696.db2.gz VWWFEXPIXOTYDR-SFHVURJKSA-N 2 2 326.444 2.326 20 0 EDADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnc(N)nc1N ZINC000638737825 451670854 /nfs/dbraw/zinc/67/08/54/451670854.db2.gz KKUXHSVTRWZHRX-KBPBESRZSA-N 2 2 340.475 1.548 20 0 EDADLP c1c(C[NH2+][C@@H]2CCc3ccccc32)nnn1CC[NH+]1CCOCC1 ZINC000641033493 451736370 /nfs/dbraw/zinc/73/63/70/451736370.db2.gz OAILRYQSJMMFST-GOSISDBHSA-N 2 2 327.432 1.387 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cccc(F)c2N)C1=O ZINC000638979808 451744824 /nfs/dbraw/zinc/74/48/24/451744824.db2.gz IRWHXACSLMEJGU-AWEZNQCLSA-N 2 2 331.395 1.422 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1=O ZINC000638981892 451745356 /nfs/dbraw/zinc/74/53/56/451745356.db2.gz YHRJNMDUSPIGQG-YMAMQOFZSA-N 2 2 328.420 1.101 20 0 EDADLP Cn1ncc(C2CCC2)c1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985582 451746778 /nfs/dbraw/zinc/74/67/78/451746778.db2.gz LLRRPRYTSYUHGN-UHFFFAOYSA-N 2 2 340.431 1.745 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c2c(nn1C)CCCC2 ZINC000639169711 451783631 /nfs/dbraw/zinc/78/36/31/451783631.db2.gz ISHUYFSSWMCKSY-UHFFFAOYSA-N 2 2 333.524 1.757 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c2c(nn1C)CCCC2 ZINC000639169711 451783633 /nfs/dbraw/zinc/78/36/33/451783633.db2.gz ISHUYFSSWMCKSY-UHFFFAOYSA-N 2 2 333.524 1.757 20 0 EDADLP CN(CC[N@H+](C)Cc1c2c(nn1C)CCCC2)C1CC[NH+](C)CC1 ZINC000639169711 451783635 /nfs/dbraw/zinc/78/36/35/451783635.db2.gz ISHUYFSSWMCKSY-UHFFFAOYSA-N 2 2 333.524 1.757 20 0 EDADLP CN(CC[N@@H+](C)Cc1c2c(nn1C)CCCC2)C1CC[NH+](C)CC1 ZINC000639169711 451783638 /nfs/dbraw/zinc/78/36/38/451783638.db2.gz ISHUYFSSWMCKSY-UHFFFAOYSA-N 2 2 333.524 1.757 20 0 EDADLP Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000639170194 451784312 /nfs/dbraw/zinc/78/43/12/451784312.db2.gz XZNIHMOERQGCHK-QGZVFWFLSA-N 2 2 345.491 1.357 20 0 EDADLP C[NH+](C)[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)c1cccc(F)c1 ZINC000641255947 451795463 /nfs/dbraw/zinc/79/54/63/451795463.db2.gz KHCYLYICMJBMQP-OAHLLOKOSA-N 2 2 340.424 1.245 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000653298285 451828021 /nfs/dbraw/zinc/82/80/21/451828021.db2.gz BENOLECLLVDOET-GDBMZVCRSA-N 2 2 349.475 1.864 20 0 EDADLP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000653298285 451828027 /nfs/dbraw/zinc/82/80/27/451828027.db2.gz BENOLECLLVDOET-GDBMZVCRSA-N 2 2 349.475 1.864 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000653298302 451828099 /nfs/dbraw/zinc/82/80/99/451828099.db2.gz BSZGLDNWJXNYPL-HOCLYGCPSA-N 2 2 346.475 1.919 20 0 EDADLP CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000653298302 451828105 /nfs/dbraw/zinc/82/81/05/451828105.db2.gz BSZGLDNWJXNYPL-HOCLYGCPSA-N 2 2 346.475 1.919 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2c[nH]c3ncccc23)C[C@@H](C)O1 ZINC000644604931 451890781 /nfs/dbraw/zinc/89/07/81/451890781.db2.gz HSVWBZAAEHFLSB-IIAWOOMASA-N 2 2 332.448 1.165 20 0 EDADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cccn1 ZINC000644635695 451908548 /nfs/dbraw/zinc/90/85/48/451908548.db2.gz PYKKJQLJUWZJAU-WBVHZDCISA-N 2 2 333.480 1.461 20 0 EDADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cccn1 ZINC000644635695 451908551 /nfs/dbraw/zinc/90/85/51/451908551.db2.gz PYKKJQLJUWZJAU-WBVHZDCISA-N 2 2 333.480 1.461 20 0 EDADLP C[NH+]1CCC([C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000651578951 451932242 /nfs/dbraw/zinc/93/22/42/451932242.db2.gz JRDYHYIIOCJSHN-INIZCTEOSA-N 2 2 330.476 1.952 20 0 EDADLP CC(C)([NH3+])CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000649277836 451947775 /nfs/dbraw/zinc/94/77/75/451947775.db2.gz VKRWIWPTUFHSAG-UHFFFAOYSA-N 2 2 347.459 1.620 20 0 EDADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000649281362 451953249 /nfs/dbraw/zinc/95/32/49/451953249.db2.gz BDNZGNLATKNZKZ-OKZBNKHCSA-N 2 2 331.460 1.551 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]3C[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000649289205 451965185 /nfs/dbraw/zinc/96/51/85/451965185.db2.gz BEXFOAMNTFTBLQ-HDEZJCGLSA-N 2 2 346.475 1.686 20 0 EDADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1ccccc1F ZINC000649282777 451955648 /nfs/dbraw/zinc/95/56/48/451955648.db2.gz FTEWMLNJEJQGBK-IUODEOHRSA-N 2 2 332.379 1.001 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@@]1([NH3+])CCN(C)C1)c1cccc(OC)c1 ZINC000649282869 451956503 /nfs/dbraw/zinc/95/65/03/451956503.db2.gz PFWZWTLCFDHRGL-IEBWSBKVSA-N 2 2 348.491 1.227 20 0 EDADLP COC[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC[NH2+]1 ZINC000649284914 451957438 /nfs/dbraw/zinc/95/74/38/451957438.db2.gz LMDSZZBFRQCSMN-SFHVURJKSA-N 2 2 332.448 1.457 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649285063 451959148 /nfs/dbraw/zinc/95/91/48/451959148.db2.gz ZMLAVDGFQXKRKW-LBPRGKRZSA-N 2 2 345.794 1.044 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCC[C@@H]3C[NH3+])c[nH+]2)CCO1 ZINC000649289339 451964792 /nfs/dbraw/zinc/96/47/92/451964792.db2.gz MOPKSHRQQBRCIB-BMFZPTHFSA-N 2 2 332.448 1.298 20 0 EDADLP Cn1nnc2c1CC[C@H](Nc1[nH+]cnc3c1cnn3-c1cc[nH+]cc1)C2 ZINC000653474205 451972700 /nfs/dbraw/zinc/97/27/00/451972700.db2.gz CMGZPSJPGATSRQ-NSHDSACASA-N 2 2 347.386 1.308 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000639665489 452008990 /nfs/dbraw/zinc/00/89/90/452008990.db2.gz YJMAUMYLQFAGDF-UHFFFAOYSA-N 2 2 347.459 1.704 20 0 EDADLP C[C@@H]1[C@@H](C)[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C(=O)N1C ZINC000639690732 452028352 /nfs/dbraw/zinc/02/83/52/452028352.db2.gz IYRBGRYXRVROLL-ZACQAIPSSA-N 2 2 345.487 1.958 20 0 EDADLP C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H](C)C(=O)N1C ZINC000639690732 452028357 /nfs/dbraw/zinc/02/83/57/452028357.db2.gz IYRBGRYXRVROLL-ZACQAIPSSA-N 2 2 345.487 1.958 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)[C@@H]1C ZINC000643080943 452036109 /nfs/dbraw/zinc/03/61/09/452036109.db2.gz OCNKSEYRLOFSDJ-JHNDHUHGSA-N 2 2 348.495 1.315 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)[C@@H]1C ZINC000643080943 452036116 /nfs/dbraw/zinc/03/61/16/452036116.db2.gz OCNKSEYRLOFSDJ-JHNDHUHGSA-N 2 2 348.495 1.315 20 0 EDADLP CC(C)c1n[nH]c(CC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)n1 ZINC000639716096 452057592 /nfs/dbraw/zinc/05/75/92/452057592.db2.gz IOZVGSMVRKFRHM-MRXNPFEDSA-N 2 2 335.496 1.638 20 0 EDADLP CC(C)c1n[nH]c(CC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)n1 ZINC000639716096 452057595 /nfs/dbraw/zinc/05/75/95/452057595.db2.gz IOZVGSMVRKFRHM-MRXNPFEDSA-N 2 2 335.496 1.638 20 0 EDADLP CC(C)c1nnc(CC2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)[nH]1 ZINC000639716096 452057596 /nfs/dbraw/zinc/05/75/96/452057596.db2.gz IOZVGSMVRKFRHM-MRXNPFEDSA-N 2 2 335.496 1.638 20 0 EDADLP CC(C)c1nnc(CC2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)[nH]1 ZINC000639716096 452057599 /nfs/dbraw/zinc/05/75/99/452057599.db2.gz IOZVGSMVRKFRHM-MRXNPFEDSA-N 2 2 335.496 1.638 20 0 EDADLP CCN1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000637786627 452078135 /nfs/dbraw/zinc/07/81/35/452078135.db2.gz MFSFIZFGQUZUTN-HUUCEWRRSA-N 2 2 334.468 1.188 20 0 EDADLP CCc1nc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cs1 ZINC000649420777 452083182 /nfs/dbraw/zinc/08/31/82/452083182.db2.gz TXDYMAOHBUWGAM-HUUCEWRRSA-N 2 2 349.504 1.426 20 0 EDADLP CCc1nc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cs1 ZINC000649420777 452083191 /nfs/dbraw/zinc/08/31/91/452083191.db2.gz TXDYMAOHBUWGAM-HUUCEWRRSA-N 2 2 349.504 1.426 20 0 EDADLP CCc1nc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cs1 ZINC000649420776 452083569 /nfs/dbraw/zinc/08/35/69/452083569.db2.gz TXDYMAOHBUWGAM-GJZGRUSLSA-N 2 2 349.504 1.426 20 0 EDADLP CCc1nc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cs1 ZINC000649420776 452083572 /nfs/dbraw/zinc/08/35/72/452083572.db2.gz TXDYMAOHBUWGAM-GJZGRUSLSA-N 2 2 349.504 1.426 20 0 EDADLP COC[C@H](C)[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643230281 452084979 /nfs/dbraw/zinc/08/49/79/452084979.db2.gz GLUHXBIIRYERSJ-YQQAZPJKSA-N 2 2 325.497 1.532 20 0 EDADLP COC[C@H](C)[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643230281 452084982 /nfs/dbraw/zinc/08/49/82/452084982.db2.gz GLUHXBIIRYERSJ-YQQAZPJKSA-N 2 2 325.497 1.532 20 0 EDADLP c1ccc(N2CC[NH+](CCc3nc([C@H]4CCC[NH2+]4)no3)CC2)nc1 ZINC000647151501 452090851 /nfs/dbraw/zinc/09/08/51/452090851.db2.gz ICRAPRQHSGHYFI-CQSZACIVSA-N 2 2 328.420 1.254 20 0 EDADLP CN1CC[NH+](Cc2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)cc2)CC1 ZINC000647151447 452091811 /nfs/dbraw/zinc/09/18/11/452091811.db2.gz GGTWOYDDARZDSV-MRXNPFEDSA-N 2 2 327.432 1.909 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000647172203 452106007 /nfs/dbraw/zinc/10/60/07/452106007.db2.gz MIPPTGUEAGNTSY-STQMWFEESA-N 2 2 327.425 1.190 20 0 EDADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000647172203 452106009 /nfs/dbraw/zinc/10/60/09/452106009.db2.gz MIPPTGUEAGNTSY-STQMWFEESA-N 2 2 327.425 1.190 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766390 452108212 /nfs/dbraw/zinc/10/82/12/452108212.db2.gz OTGQXTQZQAGRPE-VQIMIIECSA-N 2 2 333.476 1.122 20 0 EDADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766390 452108216 /nfs/dbraw/zinc/10/82/16/452108216.db2.gz OTGQXTQZQAGRPE-VQIMIIECSA-N 2 2 333.476 1.122 20 0 EDADLP Cc1c(-c2cc(C[N@@H+]3CCC[C@](O)(C[NH+](C)C)C3)on2)cnn1C ZINC000639766413 452109136 /nfs/dbraw/zinc/10/91/36/452109136.db2.gz ODQNFXBPMIAYDH-KRWDZBQOSA-N 2 2 333.436 1.272 20 0 EDADLP Cc1c(-c2cc(C[N@H+]3CCC[C@](O)(C[NH+](C)C)C3)on2)cnn1C ZINC000639766413 452109140 /nfs/dbraw/zinc/10/91/40/452109140.db2.gz ODQNFXBPMIAYDH-KRWDZBQOSA-N 2 2 333.436 1.272 20 0 EDADLP COc1ncncc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000647185446 452112595 /nfs/dbraw/zinc/11/25/95/452112595.db2.gz CCKOEZYPHFJMKF-SFHVURJKSA-N 2 2 328.416 1.212 20 0 EDADLP COc1ncncc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000647185446 452112600 /nfs/dbraw/zinc/11/26/00/452112600.db2.gz CCKOEZYPHFJMKF-SFHVURJKSA-N 2 2 328.416 1.212 20 0 EDADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000641644540 452160660 /nfs/dbraw/zinc/16/06/60/452160660.db2.gz KNOTUMIXSCBBOE-HNNXBMFYSA-N 2 2 331.464 1.691 20 0 EDADLP CC(C)c1nc(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)nc(N(C)C)[nH+]1 ZINC000641654699 452172587 /nfs/dbraw/zinc/17/25/87/452172587.db2.gz KLWQUBCHYCDIGV-AWEZNQCLSA-N 2 2 348.495 1.751 20 0 EDADLP CC(C)c1nc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)nc(N(C)C)[nH+]1 ZINC000641654699 452172591 /nfs/dbraw/zinc/17/25/91/452172591.db2.gz KLWQUBCHYCDIGV-AWEZNQCLSA-N 2 2 348.495 1.751 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637952900 452198002 /nfs/dbraw/zinc/19/80/02/452198002.db2.gz MHOYSODBHOOAMM-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637952900 452198006 /nfs/dbraw/zinc/19/80/06/452198006.db2.gz MHOYSODBHOOAMM-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639874228 452210737 /nfs/dbraw/zinc/21/07/37/452210737.db2.gz RFOOKYXGLDWDPU-MRXNPFEDSA-N 2 2 325.428 1.339 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639874228 452210744 /nfs/dbraw/zinc/21/07/44/452210744.db2.gz RFOOKYXGLDWDPU-MRXNPFEDSA-N 2 2 325.428 1.339 20 0 EDADLP Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(N2CCCC2)n1 ZINC000643471327 452238285 /nfs/dbraw/zinc/23/82/85/452238285.db2.gz UEUUKIYPFUYOSX-QZTJIDSGSA-N 2 2 330.476 1.847 20 0 EDADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000641771249 452243909 /nfs/dbraw/zinc/24/39/09/452243909.db2.gz FGOOFLPCBZOTJB-QGZVFWFLSA-N 3 2 331.464 1.758 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3C[N@H+](C4CC4)C[C@H]3C)cn21 ZINC000645273823 452251782 /nfs/dbraw/zinc/25/17/82/452251782.db2.gz RRTYSLOVUOKINL-DYVFJYSZSA-N 2 2 341.459 1.967 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)cn21 ZINC000645273823 452251788 /nfs/dbraw/zinc/25/17/88/452251788.db2.gz RRTYSLOVUOKINL-DYVFJYSZSA-N 2 2 341.459 1.967 20 0 EDADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000647516400 452252695 /nfs/dbraw/zinc/25/26/95/452252695.db2.gz OOKDEDKADQFHCK-QWRGUYRKSA-N 2 2 337.247 1.245 20 0 EDADLP CCn1cc(C[N@@H+]2CCCN(c3nc[nH+]c4c3OCCN4)CC2)cn1 ZINC000665699534 452258287 /nfs/dbraw/zinc/25/82/87/452258287.db2.gz GPSWIBNMKJIGSE-UHFFFAOYSA-N 2 2 343.435 1.210 20 0 EDADLP CCn1cc(C[N@H+]2CCCN(c3nc[nH+]c4c3OCCN4)CC2)cn1 ZINC000665699534 452258292 /nfs/dbraw/zinc/25/82/92/452258292.db2.gz GPSWIBNMKJIGSE-UHFFFAOYSA-N 2 2 343.435 1.210 20 0 EDADLP FC1(F)CCC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641788646 452267667 /nfs/dbraw/zinc/26/76/67/452267667.db2.gz ZNNDJAHWEDAOIR-INIZCTEOSA-N 2 2 331.451 1.951 20 0 EDADLP CC1(C)[C@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000641803244 452280058 /nfs/dbraw/zinc/28/00/58/452280058.db2.gz RQMDEDRJBJUWIU-DLBZAZTESA-N 3 2 330.476 1.046 20 0 EDADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000641803577 452280609 /nfs/dbraw/zinc/28/06/09/452280609.db2.gz TWSPLLXHHVFNFO-GJZGRUSLSA-N 3 2 336.505 1.108 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659450903 452300130 /nfs/dbraw/zinc/30/01/30/452300130.db2.gz HOFDIHFQBGZYRZ-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659450903 452300137 /nfs/dbraw/zinc/30/01/37/452300137.db2.gz HOFDIHFQBGZYRZ-WBVHZDCISA-N 2 2 338.496 1.128 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCC3([NH+](C)C)CCC3)cn21 ZINC000645334901 452312716 /nfs/dbraw/zinc/31/27/16/452312716.db2.gz OKBYMARHUALFMH-UHFFFAOYSA-N 2 2 329.448 1.969 20 0 EDADLP CCC1([NH+]2CCCC2)CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000639987614 452317936 /nfs/dbraw/zinc/31/79/36/452317936.db2.gz GRPXAWXFPVTMQK-UHFFFAOYSA-N 2 2 336.480 1.657 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638049564 452318241 /nfs/dbraw/zinc/31/82/41/452318241.db2.gz MBHHKIWPRCMDCY-QGZVFWFLSA-N 2 2 343.427 1.678 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638049564 452318250 /nfs/dbraw/zinc/31/82/50/452318250.db2.gz MBHHKIWPRCMDCY-QGZVFWFLSA-N 2 2 343.427 1.678 20 0 EDADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000638049466 452318673 /nfs/dbraw/zinc/31/86/73/452318673.db2.gz WWAMDRNGXLXWPP-QGZVFWFLSA-N 2 2 340.427 1.309 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638058633 452347584 /nfs/dbraw/zinc/34/75/84/452347584.db2.gz HKUZVWBRXRFCFE-CQSZACIVSA-N 2 2 328.416 1.060 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nn1 ZINC000657597219 452366389 /nfs/dbraw/zinc/36/63/89/452366389.db2.gz RAYYEVKLYYPVIZ-GOSISDBHSA-N 2 2 329.448 1.715 20 0 EDADLP CC(C)n1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nn1 ZINC000657597219 452366397 /nfs/dbraw/zinc/36/63/97/452366397.db2.gz RAYYEVKLYYPVIZ-GOSISDBHSA-N 2 2 329.448 1.715 20 0 EDADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663631653 452372233 /nfs/dbraw/zinc/37/22/33/452372233.db2.gz ZYXAUGUQJQSNPH-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663631653 452372236 /nfs/dbraw/zinc/37/22/36/452372236.db2.gz ZYXAUGUQJQSNPH-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663631653 452372239 /nfs/dbraw/zinc/37/22/39/452372239.db2.gz ZYXAUGUQJQSNPH-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[NH+](CCNC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000663631653 452372243 /nfs/dbraw/zinc/37/22/43/452372243.db2.gz ZYXAUGUQJQSNPH-OWCLPIDISA-N 2 2 326.485 1.127 20 0 EDADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)NCCC1CC[NH2+]CC1 ZINC000652312982 452487088 /nfs/dbraw/zinc/48/70/88/452487088.db2.gz GRXFUFQEGZLZSZ-UHFFFAOYSA-N 2 2 347.385 1.977 20 0 EDADLP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(-c2cccnc2)n1 ZINC000657751311 452499528 /nfs/dbraw/zinc/49/95/28/452499528.db2.gz PSLLIZAIOZTHDC-SFHVURJKSA-N 2 2 341.459 1.825 20 0 EDADLP CC(=O)c1nc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)sc1C ZINC000640200323 452504301 /nfs/dbraw/zinc/50/43/01/452504301.db2.gz MMRMNIPILXBUPE-UHFFFAOYSA-N 2 2 341.481 1.659 20 0 EDADLP CC(=O)c1nc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)sc1C ZINC000640200323 452504313 /nfs/dbraw/zinc/50/43/13/452504313.db2.gz MMRMNIPILXBUPE-UHFFFAOYSA-N 2 2 341.481 1.659 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655682247 452508779 /nfs/dbraw/zinc/50/87/79/452508779.db2.gz CDKMDUUATJFGQM-RTBURBONSA-N 2 2 339.524 1.576 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655682247 452508784 /nfs/dbraw/zinc/50/87/84/452508784.db2.gz CDKMDUUATJFGQM-RTBURBONSA-N 2 2 339.524 1.576 20 0 EDADLP CC(C)CN1CCO[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655682247 452508794 /nfs/dbraw/zinc/50/87/94/452508794.db2.gz CDKMDUUATJFGQM-RTBURBONSA-N 2 2 339.524 1.576 20 0 EDADLP C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CS1 ZINC000655686951 452510543 /nfs/dbraw/zinc/51/05/43/452510543.db2.gz FSIOVXYAPLZXNM-HOTGVXAUSA-N 2 2 335.521 1.862 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655724577 452537842 /nfs/dbraw/zinc/53/78/42/452537842.db2.gz FAZWRTBLEJBJLW-KRWDZBQOSA-N 2 2 333.480 1.252 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655724577 452537847 /nfs/dbraw/zinc/53/78/47/452537847.db2.gz FAZWRTBLEJBJLW-KRWDZBQOSA-N 2 2 333.480 1.252 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000652358282 452539547 /nfs/dbraw/zinc/53/95/47/452539547.db2.gz RLXBQHXRUQAKPW-BXUZGUMPSA-N 2 2 345.365 1.940 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000652358282 452539553 /nfs/dbraw/zinc/53/95/53/452539553.db2.gz RLXBQHXRUQAKPW-BXUZGUMPSA-N 2 2 345.365 1.940 20 0 EDADLP C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)c1[nH]cc[nH+]1 ZINC000647809005 452542005 /nfs/dbraw/zinc/54/20/05/452542005.db2.gz HXXSHERRVWSWGL-CZUORRHYSA-N 2 2 328.416 1.785 20 0 EDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CCCn3ccnc32)C1=O ZINC000655752517 452556928 /nfs/dbraw/zinc/55/69/28/452556928.db2.gz ZJRUICNCWPFBDS-UONOGXRCSA-N 2 2 328.420 1.232 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccccc2F)CC[C@@H]1[NH3+] ZINC000647936426 452675699 /nfs/dbraw/zinc/67/56/99/452675699.db2.gz DJVKXXIVUNQMJN-HOCLYGCPSA-N 2 2 337.439 1.722 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N(C)CCOc2ccccc2F)CC[C@@H]1[NH3+] ZINC000647936426 452675702 /nfs/dbraw/zinc/67/57/02/452675702.db2.gz DJVKXXIVUNQMJN-HOCLYGCPSA-N 2 2 337.439 1.722 20 0 EDADLP CC[C@@H]1C[N@H+](CCOc2cccc(S(C)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647937248 452679123 /nfs/dbraw/zinc/67/91/23/452679123.db2.gz UHFRBIMOASBBQX-CJNGLKHVSA-N 2 2 326.462 1.528 20 0 EDADLP CC[C@@H]1C[N@@H+](CCOc2cccc(S(C)(=O)=O)c2)CC[C@@H]1[NH3+] ZINC000647937248 452679129 /nfs/dbraw/zinc/67/91/29/452679129.db2.gz UHFRBIMOASBBQX-CJNGLKHVSA-N 2 2 326.462 1.528 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000647940284 452682839 /nfs/dbraw/zinc/68/28/39/452682839.db2.gz SGFFRHQRMRQFFI-GUTXKFCHSA-N 2 2 333.432 1.844 20 0 EDADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC[C@@H]1[NH3+] ZINC000647940284 452682848 /nfs/dbraw/zinc/68/28/48/452682848.db2.gz SGFFRHQRMRQFFI-GUTXKFCHSA-N 2 2 333.432 1.844 20 0 EDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000647959903 452703808 /nfs/dbraw/zinc/70/38/08/452703808.db2.gz UJMZDEBOAMPXBF-SFHVURJKSA-N 2 2 339.524 1.658 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000647959903 452703819 /nfs/dbraw/zinc/70/38/19/452703819.db2.gz UJMZDEBOAMPXBF-SFHVURJKSA-N 2 2 339.524 1.658 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000659828285 452716645 /nfs/dbraw/zinc/71/66/45/452716645.db2.gz BMZLJYGHNRBUMP-QGZVFWFLSA-N 2 2 325.497 1.412 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000659828285 452716649 /nfs/dbraw/zinc/71/66/49/452716649.db2.gz BMZLJYGHNRBUMP-QGZVFWFLSA-N 2 2 325.497 1.412 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)cn21 ZINC000645758122 452759624 /nfs/dbraw/zinc/75/96/24/452759624.db2.gz XSXCVZKVVMCFLN-IBGZPJMESA-N 2 2 341.459 1.922 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)cn21 ZINC000645758122 452759633 /nfs/dbraw/zinc/75/96/33/452759633.db2.gz XSXCVZKVVMCFLN-IBGZPJMESA-N 2 2 341.459 1.922 20 0 EDADLP COCc1n[nH]c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000658158667 452766085 /nfs/dbraw/zinc/76/60/85/452766085.db2.gz JBHPOGSMUAHWCC-GOEBONIOSA-N 2 2 329.448 1.951 20 0 EDADLP COCc1n[nH]c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000658158667 452766095 /nfs/dbraw/zinc/76/60/95/452766095.db2.gz JBHPOGSMUAHWCC-GOEBONIOSA-N 2 2 329.448 1.951 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000664104103 452792461 /nfs/dbraw/zinc/79/24/61/452792461.db2.gz VWPZZUUXYOKSRN-SFHVURJKSA-N 2 2 348.491 1.483 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000664104103 452792471 /nfs/dbraw/zinc/79/24/71/452792471.db2.gz VWPZZUUXYOKSRN-SFHVURJKSA-N 2 2 348.491 1.483 20 0 EDADLP CN(C(=O)NCCC(C)(C)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000666430295 452864483 /nfs/dbraw/zinc/86/44/83/452864483.db2.gz WLBKGRSJVRXEFA-HNNXBMFYSA-N 2 2 328.476 1.935 20 0 EDADLP CN(C(=O)NCCC(C)(C)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000666430295 452864491 /nfs/dbraw/zinc/86/44/91/452864491.db2.gz WLBKGRSJVRXEFA-HNNXBMFYSA-N 2 2 328.476 1.935 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000648154516 452864943 /nfs/dbraw/zinc/86/49/43/452864943.db2.gz FAZDOPRSLCBPKS-ZENOOKHLSA-N 2 2 339.867 1.907 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000648154516 452864952 /nfs/dbraw/zinc/86/49/52/452864952.db2.gz FAZDOPRSLCBPKS-ZENOOKHLSA-N 2 2 339.867 1.907 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]3CCC[C@@H]3C[NH3+])CC2)cs1 ZINC000648152945 452865320 /nfs/dbraw/zinc/86/53/20/452865320.db2.gz QSRLQNFOEDXDOS-ZBFHGGJFSA-N 2 2 336.505 1.861 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[C@@H]3C[NH3+])CC2)cs1 ZINC000648152945 452865328 /nfs/dbraw/zinc/86/53/28/452865328.db2.gz QSRLQNFOEDXDOS-ZBFHGGJFSA-N 2 2 336.505 1.861 20 0 EDADLP COc1c(C)[nH+]c(C2CC2)nc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000656118552 452874825 /nfs/dbraw/zinc/87/48/25/452874825.db2.gz SAUUVHCKZFSWLR-CABCVRRESA-N 2 2 332.448 1.706 20 0 EDADLP CCO[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000664215057 452888838 /nfs/dbraw/zinc/88/88/38/452888838.db2.gz HTGPVVRQTKPRMX-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP CCO[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C12CCC2 ZINC000664215057 452888843 /nfs/dbraw/zinc/88/88/43/452888843.db2.gz HTGPVVRQTKPRMX-JKSUJKDBSA-N 2 2 340.512 1.517 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662161362 452901768 /nfs/dbraw/zinc/90/17/68/452901768.db2.gz SNAIONQOSGVHDQ-QZTJIDSGSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662161362 452901777 /nfs/dbraw/zinc/90/17/77/452901777.db2.gz SNAIONQOSGVHDQ-QZTJIDSGSA-N 2 2 334.460 1.266 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662162037 452902184 /nfs/dbraw/zinc/90/21/84/452902184.db2.gz YXAOEMWHUSCAEK-MOPGFXCFSA-N 2 2 348.487 1.574 20 0 EDADLP Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662162037 452902191 /nfs/dbraw/zinc/90/21/91/452902191.db2.gz YXAOEMWHUSCAEK-MOPGFXCFSA-N 2 2 348.487 1.574 20 0 EDADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)CC2)c1 ZINC000660013717 452922687 /nfs/dbraw/zinc/92/26/87/452922687.db2.gz JFAMEEDRJLVPFE-BRWVUGGUSA-N 2 2 328.460 1.959 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)ccc2n1C ZINC000658424383 452949146 /nfs/dbraw/zinc/94/91/46/452949146.db2.gz NIQPXDTVAPVJNG-LLVKDONJSA-N 2 2 331.420 1.277 20 0 EDADLP CCc1ccccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658425588 452951890 /nfs/dbraw/zinc/95/18/90/452951890.db2.gz BUMCVKMSMSUAPJ-UHFFFAOYSA-N 2 2 334.464 1.187 20 0 EDADLP CCc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658425588 452951897 /nfs/dbraw/zinc/95/18/97/452951897.db2.gz BUMCVKMSMSUAPJ-UHFFFAOYSA-N 2 2 334.464 1.187 20 0 EDADLP Cc1[nH+]ccn1CCN1CC[N@@H+](CCn2cc[nH+]c2C)[C@H](C)[C@H]1C ZINC000662222652 452956599 /nfs/dbraw/zinc/95/65/99/452956599.db2.gz HECFWPWONAJANH-HZPDHXFCSA-N 3 2 330.480 1.791 20 0 EDADLP Cc1[nH+]ccn1CCN1CC[N@H+](CCn2cc[nH+]c2C)[C@H](C)[C@H]1C ZINC000662222652 452956608 /nfs/dbraw/zinc/95/66/08/452956608.db2.gz HECFWPWONAJANH-HZPDHXFCSA-N 3 2 330.480 1.791 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000658428876 452958324 /nfs/dbraw/zinc/95/83/24/452958324.db2.gz ZVFISADCWHUTDH-UHFFFAOYSA-N 2 2 348.491 1.550 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000658428876 452958330 /nfs/dbraw/zinc/95/83/30/452958330.db2.gz ZVFISADCWHUTDH-UHFFFAOYSA-N 2 2 348.491 1.550 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)C(C)C ZINC000664285276 452966023 /nfs/dbraw/zinc/96/60/23/452966023.db2.gz FIVDILCJBRXOIA-IRXDYDNUSA-N 2 2 342.528 1.904 20 0 EDADLP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)C(C)C ZINC000664285276 452966031 /nfs/dbraw/zinc/96/60/31/452966031.db2.gz FIVDILCJBRXOIA-IRXDYDNUSA-N 2 2 342.528 1.904 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000645978162 452966194 /nfs/dbraw/zinc/96/61/94/452966194.db2.gz VTQWLEATRMKBNT-KRWDZBQOSA-N 3 2 328.460 1.188 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000645978162 452966201 /nfs/dbraw/zinc/96/62/01/452966201.db2.gz VTQWLEATRMKBNT-KRWDZBQOSA-N 3 2 328.460 1.188 20 0 EDADLP Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC000644036950 452967242 /nfs/dbraw/zinc/96/72/42/452967242.db2.gz ZZHCXSUBEAQSPI-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC000644036950 452967251 /nfs/dbraw/zinc/96/72/51/452967251.db2.gz ZZHCXSUBEAQSPI-MRXNPFEDSA-N 2 2 334.464 1.748 20 0 EDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C4CC4)no3)CC2)CC1 ZINC000660070349 452984973 /nfs/dbraw/zinc/98/49/73/452984973.db2.gz AOMQOCFAMUDIGP-UHFFFAOYSA-N 2 2 346.475 1.928 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262628 452995061 /nfs/dbraw/zinc/99/50/61/452995061.db2.gz WTJVDGSOENTNBS-QGZVFWFLSA-N 2 2 331.460 1.334 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nnc(C2CC2)s1 ZINC000664329867 453004762 /nfs/dbraw/zinc/00/47/62/453004762.db2.gz GJMXCYJGFOJDRA-UHFFFAOYSA-N 2 2 326.470 1.421 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nnc(C2CC2)s1 ZINC000664329867 453004771 /nfs/dbraw/zinc/00/47/71/453004771.db2.gz GJMXCYJGFOJDRA-UHFFFAOYSA-N 2 2 326.470 1.421 20 0 EDADLP CC(C)(C)c1ccc(CCNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662286415 453012101 /nfs/dbraw/zinc/01/21/01/453012101.db2.gz HAHHSASRFYIKHA-UHFFFAOYSA-N 2 2 347.503 1.347 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CCO1 ZINC000662319722 453036113 /nfs/dbraw/zinc/03/61/13/453036113.db2.gz AXMQDHKMSRGYAZ-KRWDZBQOSA-N 2 2 337.439 1.485 20 0 EDADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)CCO1 ZINC000662319722 453036120 /nfs/dbraw/zinc/03/61/20/453036120.db2.gz AXMQDHKMSRGYAZ-KRWDZBQOSA-N 2 2 337.439 1.485 20 0 EDADLP COc1cc(C)ccc1C[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000648370711 453038579 /nfs/dbraw/zinc/03/85/79/453038579.db2.gz SKEZSTOFAYZWCE-IEBWSBKVSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C)ccc1C[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000648370711 453038588 /nfs/dbraw/zinc/03/85/88/453038588.db2.gz SKEZSTOFAYZWCE-IEBWSBKVSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C)ccc1C[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000648370711 453038592 /nfs/dbraw/zinc/03/85/92/453038592.db2.gz SKEZSTOFAYZWCE-IEBWSBKVSA-N 2 2 347.503 1.840 20 0 EDADLP COc1cc(C)ccc1C[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000648370711 453038601 /nfs/dbraw/zinc/03/86/01/453038601.db2.gz SKEZSTOFAYZWCE-IEBWSBKVSA-N 2 2 347.503 1.840 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](Cc2ccccc2)C1 ZINC000652883073 453041566 /nfs/dbraw/zinc/04/15/66/453041566.db2.gz FZUKIZWMSDRHHE-ZWKOTPCHSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](Cc2ccccc2)C1 ZINC000652883073 453041575 /nfs/dbraw/zinc/04/15/75/453041575.db2.gz FZUKIZWMSDRHHE-ZWKOTPCHSA-N 2 2 338.455 1.831 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)Cc2[nH]cc[nH+]2)CC1 ZINC000660143865 453073707 /nfs/dbraw/zinc/07/37/07/453073707.db2.gz GWBKAEXZRWLLOV-MRXNPFEDSA-N 2 2 341.459 1.747 20 0 EDADLP C[NH+]1CCC(CNC(=O)Cc2cccc(N)c2)([NH+]2CCCCC2)CC1 ZINC000646094505 453099421 /nfs/dbraw/zinc/09/94/21/453099421.db2.gz ATGMHLSQNAOVAA-UHFFFAOYSA-N 2 2 344.503 1.878 20 0 EDADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103519 453103599 /nfs/dbraw/zinc/10/35/99/453103599.db2.gz WRTSYXMVAKEQOJ-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103519 453103605 /nfs/dbraw/zinc/10/36/05/453103605.db2.gz WRTSYXMVAKEQOJ-MRXNPFEDSA-N 2 2 337.508 1.868 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cc(=O)n2c1 ZINC000646104487 453106724 /nfs/dbraw/zinc/10/67/24/453106724.db2.gz GAYFBBLKVKEGRQ-UHFFFAOYSA-N 2 2 342.443 1.300 20 0 EDADLP Cc1ccc2nc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)cc(=O)n2c1 ZINC000646104487 453106734 /nfs/dbraw/zinc/10/67/34/453106734.db2.gz GAYFBBLKVKEGRQ-UHFFFAOYSA-N 2 2 342.443 1.300 20 0 EDADLP CN(CC1CCCCC1)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104796 453109187 /nfs/dbraw/zinc/10/91/87/453109187.db2.gz YGCWZADMKVEBCE-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP CN(CC1CCCCC1)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104796 453109197 /nfs/dbraw/zinc/10/91/97/453109197.db2.gz YGCWZADMKVEBCE-UHFFFAOYSA-N 2 2 337.508 1.822 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nc(C2CC2)cs1 ZINC000664460808 453115901 /nfs/dbraw/zinc/11/59/01/453115901.db2.gz OUJRLALIKKGZGV-UHFFFAOYSA-N 2 2 339.509 1.703 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nc(C2CC2)cs1 ZINC000664460808 453115908 /nfs/dbraw/zinc/11/59/08/453115908.db2.gz OUJRLALIKKGZGV-UHFFFAOYSA-N 2 2 339.509 1.703 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)[C@H](C[NH3+])C1 ZINC000666778824 453141416 /nfs/dbraw/zinc/14/14/16/453141416.db2.gz FXAPYOJEEOWKPU-WBVHZDCISA-N 2 2 348.447 1.351 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000660237424 453148413 /nfs/dbraw/zinc/14/84/13/453148413.db2.gz CJBCCDQVWUPZHW-GJZGRUSLSA-N 2 2 345.281 1.773 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000660237424 453148421 /nfs/dbraw/zinc/14/84/21/453148421.db2.gz CJBCCDQVWUPZHW-GJZGRUSLSA-N 2 2 345.281 1.773 20 0 EDADLP Cn1cc[nH+]c1CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662444206 453151687 /nfs/dbraw/zinc/15/16/87/453151687.db2.gz GLDVOQCJEHYJOA-UHFFFAOYSA-N 2 2 341.234 1.777 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000664520910 453160693 /nfs/dbraw/zinc/16/06/93/453160693.db2.gz JRFOIMPKIWKZJA-ARFHVFGLSA-N 2 2 338.496 1.127 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000664520910 453160703 /nfs/dbraw/zinc/16/07/03/453160703.db2.gz JRFOIMPKIWKZJA-ARFHVFGLSA-N 2 2 338.496 1.127 20 0 EDADLP CC[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)CO1 ZINC000650994932 453171843 /nfs/dbraw/zinc/17/18/43/453171843.db2.gz WTWCZVVCRDOTFA-GDBMZVCRSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cscn1 ZINC000664538133 453177924 /nfs/dbraw/zinc/17/79/24/453177924.db2.gz ZEGSNCTUJYQOLB-LBPRGKRZSA-N 2 2 325.482 1.529 20 0 EDADLP C[C@H]1CCCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H]1CCO ZINC000664538120 453178026 /nfs/dbraw/zinc/17/80/26/453178026.db2.gz YZMKWMPNSCENNS-DOTOQJQBSA-N 2 2 340.512 1.205 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)C2C[NH2+]C2)C[C@H](C)O1 ZINC000666841349 453184457 /nfs/dbraw/zinc/18/44/57/453184457.db2.gz NQEHSTZFRHYNDN-OKILXGFUSA-N 2 2 332.448 1.731 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)C2C[NH2+]C2)C[C@H](C)O1 ZINC000666841349 453184465 /nfs/dbraw/zinc/18/44/65/453184465.db2.gz NQEHSTZFRHYNDN-OKILXGFUSA-N 2 2 332.448 1.731 20 0 EDADLP C[NH+]1CCN(Cc2cn(Cc3cn4cc(Cl)ccc4[nH+]3)nn2)CC1 ZINC000656450749 453192915 /nfs/dbraw/zinc/19/29/15/453192915.db2.gz DOEPYMPKCZSFLH-UHFFFAOYSA-N 2 2 345.838 1.375 20 0 EDADLP CC(C)(C[NH3+])Cn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000656457458 453199178 /nfs/dbraw/zinc/19/91/78/453199178.db2.gz NGGFIQJLOKNENG-UHFFFAOYSA-N 2 2 328.464 1.585 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)NCCC3=CC[NH2+]CC3)cn21 ZINC000646205299 453216739 /nfs/dbraw/zinc/21/67/39/453216739.db2.gz DJUMOJJBLLOTGW-UHFFFAOYSA-N 2 2 327.432 1.794 20 0 EDADLP Cc1ccc(CCC[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c[nH+]1 ZINC000646215625 453226780 /nfs/dbraw/zinc/22/67/80/453226780.db2.gz GXPQFBGAGFFRNY-UHFFFAOYSA-N 3 2 332.492 1.904 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000653063114 453239996 /nfs/dbraw/zinc/23/99/96/453239996.db2.gz XNNGXRXQOZSSPM-HNNXBMFYSA-N 2 2 347.459 1.622 20 0 EDADLP C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653073550 453251513 /nfs/dbraw/zinc/25/15/13/453251513.db2.gz DSGICAROWFDEEX-FZMZJTMJSA-N 2 2 342.281 1.775 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000653088612 453270917 /nfs/dbraw/zinc/27/09/17/453270917.db2.gz DXXCUYJCRHGQGR-GOSISDBHSA-N 2 2 349.475 1.277 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000658706979 453295402 /nfs/dbraw/zinc/29/54/02/453295402.db2.gz PRTAZTXDWUEANZ-AWEZNQCLSA-N 2 2 332.448 1.874 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000653110937 453295982 /nfs/dbraw/zinc/29/59/82/453295982.db2.gz ZHHUPMVOOSLHPP-HNNXBMFYSA-N 2 2 338.415 1.614 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000653112693 453299817 /nfs/dbraw/zinc/29/98/17/453299817.db2.gz HNWUHVDQIYIRJI-MRXNPFEDSA-N 2 2 346.406 1.908 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000653113720 453301365 /nfs/dbraw/zinc/30/13/65/453301365.db2.gz MPHSEJMTYAESBF-LRDDRELGSA-N 2 2 340.418 1.186 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000653114733 453303104 /nfs/dbraw/zinc/30/31/04/453303104.db2.gz UVCMYPNLCHJOPI-OAHLLOKOSA-N 2 2 341.415 1.551 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1OCc1cscn1 ZINC000653115456 453303824 /nfs/dbraw/zinc/30/38/24/453303824.db2.gz PDPAEVPHBIILHZ-CYBMUJFWSA-N 2 2 334.445 1.940 20 0 EDADLP C[C@H](c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000653117897 453307195 /nfs/dbraw/zinc/30/71/95/453307195.db2.gz YSTOGPGGYSPCBA-PBHICJAKSA-N 3 2 334.464 1.297 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000653122692 453313086 /nfs/dbraw/zinc/31/30/86/453313086.db2.gz AYKSPWKTHNQJDZ-AEFFLSMTSA-N 3 2 332.492 1.388 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000653122692 453313097 /nfs/dbraw/zinc/31/30/97/453313097.db2.gz AYKSPWKTHNQJDZ-AEFFLSMTSA-N 3 2 332.492 1.388 20 0 EDADLP CC[N@H+](CC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1)C1CC1 ZINC000646325326 453322620 /nfs/dbraw/zinc/32/26/20/453322620.db2.gz PKLAVCVMJQZSDI-MRXNPFEDSA-N 2 2 341.521 1.137 20 0 EDADLP CC[N@@H+](CC(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1)C1CC1 ZINC000646325326 453322629 /nfs/dbraw/zinc/32/26/29/453322629.db2.gz PKLAVCVMJQZSDI-MRXNPFEDSA-N 2 2 341.521 1.137 20 0 EDADLP Cc1ccc(Br)cc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653156385 453346826 /nfs/dbraw/zinc/34/68/26/453346826.db2.gz ZNEOUOHKNIMKEQ-ZDUSSCGKSA-N 2 2 328.254 1.653 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646379246 453356282 /nfs/dbraw/zinc/35/62/82/453356282.db2.gz OLCRPIIRTLZIMV-AOIWGVFYSA-N 2 2 349.519 1.868 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646379246 453356288 /nfs/dbraw/zinc/35/62/88/453356288.db2.gz OLCRPIIRTLZIMV-AOIWGVFYSA-N 2 2 349.519 1.868 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000656701730 453378763 /nfs/dbraw/zinc/37/87/63/453378763.db2.gz BCJFGGMLODUJNP-KBPBESRZSA-N 2 2 345.443 1.106 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000656701730 453378773 /nfs/dbraw/zinc/37/87/73/453378773.db2.gz BCJFGGMLODUJNP-KBPBESRZSA-N 2 2 345.443 1.106 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000656711065 453386516 /nfs/dbraw/zinc/38/65/16/453386516.db2.gz POOPJVYYFCORON-GOSISDBHSA-N 2 2 340.471 1.806 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000656711065 453386520 /nfs/dbraw/zinc/38/65/20/453386520.db2.gz POOPJVYYFCORON-GOSISDBHSA-N 2 2 340.471 1.806 20 0 EDADLP C[C@H](C(=O)NCCC1(C[NH3+])CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000653221419 453409262 /nfs/dbraw/zinc/40/92/62/453409262.db2.gz WJBGTZGXFYVYAQ-OAHLLOKOSA-N 2 2 348.466 1.581 20 0 EDADLP O=C(c1cccc2c1C[NH2+]C2)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662706843 453428840 /nfs/dbraw/zinc/42/88/40/453428840.db2.gz XDOWDTAVKDPWTR-UHFFFAOYSA-N 2 2 329.444 1.474 20 0 EDADLP CN(C)c1ncc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000656790178 453447422 /nfs/dbraw/zinc/44/74/22/453447422.db2.gz ODFNYPLFQJLNON-IAGOWNOFSA-N 2 2 329.423 1.917 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662741608 453465830 /nfs/dbraw/zinc/46/58/30/453465830.db2.gz FWUKDBLDCMUYTH-JQHSSLGASA-N 2 2 332.492 1.292 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662741608 453465839 /nfs/dbraw/zinc/46/58/39/453465839.db2.gz FWUKDBLDCMUYTH-JQHSSLGASA-N 2 2 332.492 1.292 20 0 EDADLP Cn1cc[nH+]c1[C@H]1N(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1(C)C ZINC000662755792 453491743 /nfs/dbraw/zinc/49/17/43/453491743.db2.gz FXWFUDSDGKTFIT-LSDHHAIUSA-N 2 2 342.447 1.764 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@]3(C)CC3(F)F)C2)CC1 ZINC000660713189 453541764 /nfs/dbraw/zinc/54/17/64/453541764.db2.gz POZTXPHAQYWMHV-XJKSGUPXSA-N 2 2 344.450 1.890 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@]3(C)CC3(F)F)C2)CC1 ZINC000660713189 453541770 /nfs/dbraw/zinc/54/17/70/453541770.db2.gz POZTXPHAQYWMHV-XJKSGUPXSA-N 2 2 344.450 1.890 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](n4cc(C[NH3+])nn4)C3)ccn12 ZINC000662812623 453545219 /nfs/dbraw/zinc/54/52/19/453545219.db2.gz DIDADRZNZPSQHW-HNNXBMFYSA-N 2 2 339.403 1.170 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)cn21 ZINC000662825402 453553783 /nfs/dbraw/zinc/55/37/83/453553783.db2.gz SVILSFLIKDKOFV-OAHLLOKOSA-N 2 2 340.349 1.843 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662860440 453575357 /nfs/dbraw/zinc/57/53/57/453575357.db2.gz RXFVNJYNBJKWIE-DLBZAZTESA-N 2 2 345.487 1.533 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662860440 453575361 /nfs/dbraw/zinc/57/53/61/453575361.db2.gz RXFVNJYNBJKWIE-DLBZAZTESA-N 2 2 345.487 1.533 20 0 EDADLP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899873 453593896 /nfs/dbraw/zinc/59/38/96/453593896.db2.gz HJMCPVLGCGUXQZ-RBUKOAKNSA-N 3 2 344.503 1.703 20 0 EDADLP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899873 453593899 /nfs/dbraw/zinc/59/38/99/453593899.db2.gz HJMCPVLGCGUXQZ-RBUKOAKNSA-N 3 2 344.503 1.703 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662901313 453595732 /nfs/dbraw/zinc/59/57/32/453595732.db2.gz VKHMYHAKDYELDF-OALUTQOASA-N 3 2 344.503 1.622 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000662901313 453595738 /nfs/dbraw/zinc/59/57/38/453595738.db2.gz VKHMYHAKDYELDF-OALUTQOASA-N 3 2 344.503 1.622 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)Cc3n[nH]c(=O)o3)c2cc1C ZINC000660850715 453607873 /nfs/dbraw/zinc/60/78/73/453607873.db2.gz RPXJWRNLDIDTRN-LBPRGKRZSA-N 2 2 331.376 1.235 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)Cc3n[nH]c(=O)o3)c2cc1C ZINC000660850715 453607877 /nfs/dbraw/zinc/60/78/77/453607877.db2.gz RPXJWRNLDIDTRN-LBPRGKRZSA-N 2 2 331.376 1.235 20 0 EDADLP CC(C)C[N@H+](C)CCCNC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000665217760 453610711 /nfs/dbraw/zinc/61/07/11/453610711.db2.gz VGKSFIAMIBHWTD-CVEARBPZSA-N 2 2 328.501 1.373 20 0 EDADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000660854577 453612249 /nfs/dbraw/zinc/61/22/49/453612249.db2.gz ZIFYMDSOSSNYPD-SJORKVTESA-N 2 2 339.528 1.042 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1c[nH+]ccc1N ZINC000665240317 453620118 /nfs/dbraw/zinc/62/01/18/453620118.db2.gz IBNLBZMRBRKUHD-WMLDXEAASA-N 3 2 326.444 1.912 20 0 EDADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1c[nH+]ccc1N ZINC000665240317 453620120 /nfs/dbraw/zinc/62/01/20/453620120.db2.gz IBNLBZMRBRKUHD-WMLDXEAASA-N 3 2 326.444 1.912 20 0 EDADLP FC1(F)Oc2cccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)c2O1 ZINC000665283521 453635908 /nfs/dbraw/zinc/63/59/08/453635908.db2.gz PGLPXMVZJVIDLD-KGLIPLIRSA-N 2 2 326.343 1.865 20 0 EDADLP O=C(C[NH2+][C@@H](CO)C1CCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000661152950 453736876 /nfs/dbraw/zinc/73/68/76/453736876.db2.gz DCGRHCQZRKKFSQ-INIZCTEOSA-N 2 2 337.489 1.143 20 0 EDADLP O=C(C[NH2+][C@H](CO)C1CCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661154439 453738120 /nfs/dbraw/zinc/73/81/20/453738120.db2.gz MFDHJEBHARYQHV-GOSISDBHSA-N 2 2 331.460 1.081 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663233055 453740678 /nfs/dbraw/zinc/74/06/78/453740678.db2.gz AVLBCTYBHXNLQT-CVEARBPZSA-N 2 2 335.452 1.168 20 0 EDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)O1 ZINC000657297295 453759710 /nfs/dbraw/zinc/75/97/10/453759710.db2.gz HFHYSLDJULKRPH-IYBDPMFKSA-N 3 2 329.448 1.856 20 0 EDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)O1 ZINC000657297295 453759711 /nfs/dbraw/zinc/75/97/11/453759711.db2.gz HFHYSLDJULKRPH-IYBDPMFKSA-N 3 2 329.448 1.856 20 0 EDADLP C([NH+]1CCC[C@@H]2COC[C@@H]21)C1(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)COC1 ZINC000657294496 453759759 /nfs/dbraw/zinc/75/97/59/453759759.db2.gz GAAPFRPUHIYXOX-BDXSIMOUSA-N 2 2 336.476 1.225 20 0 EDADLP C([NH+]1CCC[C@@H]2COC[C@@H]21)C1(C[N@H+]2CCC[C@@H]3COC[C@@H]32)COC1 ZINC000657294496 453759760 /nfs/dbraw/zinc/75/97/60/453759760.db2.gz GAAPFRPUHIYXOX-BDXSIMOUSA-N 2 2 336.476 1.225 20 0 EDADLP C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCCC2)C1 ZINC000665619119 453769343 /nfs/dbraw/zinc/76/93/43/453769343.db2.gz NPRJEBDWRAFNMB-INIZCTEOSA-N 2 2 331.464 1.917 20 0 EDADLP O=C1C[C@H]([NH2+]C2CCC(C3CCC3)CC2)CN1CC[NH+]1CCOCC1 ZINC000657366503 453775976 /nfs/dbraw/zinc/77/59/76/453775976.db2.gz HVYAEROTXVHWDB-ACBHZAAOSA-N 2 2 349.519 1.868 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663431708 453796671 /nfs/dbraw/zinc/79/66/71/453796671.db2.gz NIHYNYSBZUHQCY-HNNXBMFYSA-N 2 2 336.480 1.939 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663431708 453796673 /nfs/dbraw/zinc/79/66/73/453796673.db2.gz NIHYNYSBZUHQCY-HNNXBMFYSA-N 2 2 336.480 1.939 20 0 EDADLP CC(=O)N1CCN(c2ccccc2C[NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663497877 453810238 /nfs/dbraw/zinc/81/02/38/453810238.db2.gz LHFHMNMSQLTOBG-UHFFFAOYSA-N 2 2 328.460 1.197 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000548311701 486673065 /nfs/dbraw/zinc/67/30/65/486673065.db2.gz WSWOIEADQZSYFM-DOTOQJQBSA-N 2 2 334.464 1.451 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CNc2cccc(Cl)c2)CC1 ZINC000674000225 486707463 /nfs/dbraw/zinc/70/74/63/486707463.db2.gz CPWBAQLJARVJDP-UHFFFAOYSA-N 2 2 338.883 1.894 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000680329078 486751784 /nfs/dbraw/zinc/75/17/84/486751784.db2.gz ODWPTXLZPHNNBA-MSOLQXFVSA-N 2 2 328.416 1.956 20 0 EDADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000680329078 486751788 /nfs/dbraw/zinc/75/17/88/486751788.db2.gz ODWPTXLZPHNNBA-MSOLQXFVSA-N 2 2 328.416 1.956 20 0 EDADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000417047479 486791932 /nfs/dbraw/zinc/79/19/32/486791932.db2.gz YJWBFQVTVDBBND-SQNIBIBYSA-N 2 2 346.475 1.629 20 0 EDADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667464711 486791241 /nfs/dbraw/zinc/79/12/41/486791241.db2.gz ZYHQJRXPJLBOJT-LJQANCHMSA-N 2 2 334.460 1.743 20 0 EDADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667464711 486791247 /nfs/dbraw/zinc/79/12/47/486791247.db2.gz ZYHQJRXPJLBOJT-LJQANCHMSA-N 2 2 334.460 1.743 20 0 EDADLP CN(C(=O)[C@H]1CCn2ccnc2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676700871 486846546 /nfs/dbraw/zinc/84/65/46/486846546.db2.gz AZYFWBFTWCRGNJ-RDJZCZTQSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCn2ccnc2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676700871 486846551 /nfs/dbraw/zinc/84/65/51/486846551.db2.gz AZYFWBFTWCRGNJ-RDJZCZTQSA-N 2 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676700871 486846556 /nfs/dbraw/zinc/84/65/56/486846556.db2.gz AZYFWBFTWCRGNJ-RDJZCZTQSA-N 3 2 345.491 1.072 20 0 EDADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676700871 486846559 /nfs/dbraw/zinc/84/65/59/486846559.db2.gz AZYFWBFTWCRGNJ-RDJZCZTQSA-N 3 2 345.491 1.072 20 0 EDADLP C[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1)C2 ZINC000683909911 486862326 /nfs/dbraw/zinc/86/23/26/486862326.db2.gz YYILEGXQFIJQBI-SFHVURJKSA-N 2 2 342.487 1.139 20 0 EDADLP CCC[C@@H](O)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000676753281 486863995 /nfs/dbraw/zinc/86/39/95/486863995.db2.gz SPVAHUYXCVJGRF-MRXNPFEDSA-N 2 2 325.497 1.604 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000680858069 486873372 /nfs/dbraw/zinc/87/33/72/486873372.db2.gz QWQKSMJGJULJNI-KBXCAEBGSA-N 2 2 349.500 1.799 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000680858069 486873376 /nfs/dbraw/zinc/87/33/76/486873376.db2.gz QWQKSMJGJULJNI-KBXCAEBGSA-N 2 2 349.500 1.799 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000667640698 486894197 /nfs/dbraw/zinc/89/41/97/486894197.db2.gz ILOIBINACWESLE-IUCAKERBSA-N 2 2 337.371 1.031 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H](c2nccs2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000667640698 486894198 /nfs/dbraw/zinc/89/41/98/486894198.db2.gz ILOIBINACWESLE-IUCAKERBSA-N 2 2 337.371 1.031 20 0 EDADLP COC[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H]1CCCO1 ZINC000684008120 486910567 /nfs/dbraw/zinc/91/05/67/486910567.db2.gz POXUQMQUWVOKGX-HHXXYDBFSA-N 2 2 347.459 1.798 20 0 EDADLP CN(C(=O)NC[C@@]1(C)CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681216956 486976708 /nfs/dbraw/zinc/97/67/08/486976708.db2.gz BBGFJAHSFRRZTG-FUHWJXTLSA-N 2 2 338.496 1.223 20 0 EDADLP CN(C(=O)NC[C@@]1(C)CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681216956 486976713 /nfs/dbraw/zinc/97/67/13/486976713.db2.gz BBGFJAHSFRRZTG-FUHWJXTLSA-N 2 2 338.496 1.223 20 0 EDADLP c1cc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000667822598 486982944 /nfs/dbraw/zinc/98/29/44/486982944.db2.gz NZQWCQHWKNTTQP-HKUYNNGSSA-N 3 2 330.476 1.751 20 0 EDADLP CO[C@H]1CCC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000684374668 487041922 /nfs/dbraw/zinc/04/19/22/487041922.db2.gz SUMPAIXYIYTCAW-IRXDYDNUSA-N 2 2 346.475 1.668 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cn1 ZINC000684423563 487055936 /nfs/dbraw/zinc/05/59/36/487055936.db2.gz NPLXUKAVOMWYCZ-MRXNPFEDSA-N 2 2 335.452 1.027 20 0 EDADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cn1 ZINC000684423563 487055942 /nfs/dbraw/zinc/05/59/42/487055942.db2.gz NPLXUKAVOMWYCZ-MRXNPFEDSA-N 2 2 335.452 1.027 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000681527522 487072896 /nfs/dbraw/zinc/07/28/96/487072896.db2.gz IGDZOIHEBBGEOI-CABCVRRESA-N 2 2 332.448 1.004 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000681527522 487072900 /nfs/dbraw/zinc/07/29/00/487072900.db2.gz IGDZOIHEBBGEOI-CABCVRRESA-N 2 2 332.448 1.004 20 0 EDADLP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000677416111 487074686 /nfs/dbraw/zinc/07/46/86/487074686.db2.gz DSWKGVQIXPFVCP-GOEBONIOSA-N 2 2 340.489 1.588 20 0 EDADLP CN(Cc1nccs1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673706787 487097487 /nfs/dbraw/zinc/09/74/87/487097487.db2.gz JWRRPGIKSMSTNK-ZDUSSCGKSA-N 2 2 337.493 1.453 20 0 EDADLP CN(Cc1nccs1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673706787 487097490 /nfs/dbraw/zinc/09/74/90/487097490.db2.gz JWRRPGIKSMSTNK-ZDUSSCGKSA-N 2 2 337.493 1.453 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NC[C@@H](C)[N@H+](C)C3CC3)[nH+]c12 ZINC000673773100 487109895 /nfs/dbraw/zinc/10/98/95/487109895.db2.gz BXYZQIJLJYJMLW-CQSZACIVSA-N 2 2 329.448 1.967 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NC[C@@H](C)[N@@H+](C)C3CC3)[nH+]c12 ZINC000673773100 487109900 /nfs/dbraw/zinc/10/99/00/487109900.db2.gz BXYZQIJLJYJMLW-CQSZACIVSA-N 2 2 329.448 1.967 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccccc1 ZINC000677648459 487140225 /nfs/dbraw/zinc/14/02/25/487140225.db2.gz FIURZZQYEOEHFB-KRWDZBQOSA-N 2 2 333.476 1.595 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccccc1 ZINC000677648459 487140233 /nfs/dbraw/zinc/14/02/33/487140233.db2.gz FIURZZQYEOEHFB-KRWDZBQOSA-N 2 2 333.476 1.595 20 0 EDADLP O=S1(=O)CC[C@H](CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000677695548 487152329 /nfs/dbraw/zinc/15/23/29/487152329.db2.gz XGVDAWIDPXPLKC-ZMSDIMECSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000677695548 487152331 /nfs/dbraw/zinc/15/23/31/487152331.db2.gz XGVDAWIDPXPLKC-ZMSDIMECSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000677695548 487152333 /nfs/dbraw/zinc/15/23/33/487152333.db2.gz XGVDAWIDPXPLKC-ZMSDIMECSA-N 2 2 326.506 1.760 20 0 EDADLP O=S1(=O)CC[C@H](CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000677695548 487152335 /nfs/dbraw/zinc/15/23/35/487152335.db2.gz XGVDAWIDPXPLKC-ZMSDIMECSA-N 2 2 326.506 1.760 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)Cc3cn[nH]c3)CC2)c1 ZINC000673927635 487161269 /nfs/dbraw/zinc/16/12/69/487161269.db2.gz KHNHSWSPGMNURS-UHFFFAOYSA-N 2 2 341.459 1.494 20 0 EDADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)Cc3cn[nH]c3)CC2)c1 ZINC000673927635 487161273 /nfs/dbraw/zinc/16/12/73/487161273.db2.gz KHNHSWSPGMNURS-UHFFFAOYSA-N 2 2 341.459 1.494 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000684896654 487189734 /nfs/dbraw/zinc/18/97/34/487189734.db2.gz KBKBDAWDJAFCRJ-UHFFFAOYSA-N 2 2 340.431 1.343 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)C1 ZINC000678258511 487277105 /nfs/dbraw/zinc/27/71/05/487277105.db2.gz AXCKFLRXURRPGM-SFHVURJKSA-N 2 2 344.507 1.289 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)C1 ZINC000678258511 487277106 /nfs/dbraw/zinc/27/71/06/487277106.db2.gz AXCKFLRXURRPGM-SFHVURJKSA-N 2 2 344.507 1.289 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1)C1CC1 ZINC000685567043 487297374 /nfs/dbraw/zinc/29/73/74/487297374.db2.gz MOVDUIZPBYVFMR-GOSISDBHSA-N 2 2 332.444 1.742 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1)C1CC1 ZINC000685567043 487297376 /nfs/dbraw/zinc/29/73/76/487297376.db2.gz MOVDUIZPBYVFMR-GOSISDBHSA-N 2 2 332.444 1.742 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000678514820 487324754 /nfs/dbraw/zinc/32/47/54/487324754.db2.gz LSKVGTBCVXRZSU-ICSRJNTNSA-N 2 2 345.487 1.860 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000678514820 487324755 /nfs/dbraw/zinc/32/47/55/487324755.db2.gz LSKVGTBCVXRZSU-ICSRJNTNSA-N 2 2 345.487 1.860 20 0 EDADLP CCn1cnnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000678588116 487339053 /nfs/dbraw/zinc/33/90/53/487339053.db2.gz NBJCBODPYQWHAH-DOTOQJQBSA-N 2 2 328.464 1.736 20 0 EDADLP CCn1cnnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000678588116 487339056 /nfs/dbraw/zinc/33/90/56/487339056.db2.gz NBJCBODPYQWHAH-DOTOQJQBSA-N 2 2 328.464 1.736 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000682274482 487334410 /nfs/dbraw/zinc/33/44/10/487334410.db2.gz RBECUDXMNONOSL-CQSZACIVSA-N 2 2 343.431 1.572 20 0 EDADLP CN(Cc1cnc2ccccn12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678720277 487356510 /nfs/dbraw/zinc/35/65/10/487356510.db2.gz VBJPCSIMKDFTKN-KRWDZBQOSA-N 2 2 327.476 1.935 20 0 EDADLP CN(Cc1cnc2ccccn12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678720277 487356513 /nfs/dbraw/zinc/35/65/13/487356513.db2.gz VBJPCSIMKDFTKN-KRWDZBQOSA-N 2 2 327.476 1.935 20 0 EDADLP CN(Cc1[nH+]ccn1C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000678763533 487361377 /nfs/dbraw/zinc/36/13/77/487361377.db2.gz CGLRMKUPBFUZHB-UHFFFAOYSA-N 2 2 344.419 1.245 20 0 EDADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)c1 ZINC000682513533 487379819 /nfs/dbraw/zinc/37/98/19/487379819.db2.gz LWCDVXJAAQPMLO-HNNXBMFYSA-N 2 2 325.416 1.498 20 0 EDADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C(=O)N1c1cnn(C)c1 ZINC000679062078 487389928 /nfs/dbraw/zinc/38/99/28/487389928.db2.gz BGYVDUWIAOADOO-XJKSGUPXSA-N 2 2 333.480 1.766 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000679217378 487402824 /nfs/dbraw/zinc/40/28/24/487402824.db2.gz BOFLLZADJZOGIN-XHSDSOJGSA-N 2 2 329.460 1.139 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000679217378 487402826 /nfs/dbraw/zinc/40/28/26/487402826.db2.gz BOFLLZADJZOGIN-XHSDSOJGSA-N 2 2 329.460 1.139 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000679217378 487402828 /nfs/dbraw/zinc/40/28/28/487402828.db2.gz BOFLLZADJZOGIN-XHSDSOJGSA-N 2 2 329.460 1.139 20 0 EDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)[C@@H](F)C2)C1 ZINC000679217378 487402830 /nfs/dbraw/zinc/40/28/30/487402830.db2.gz BOFLLZADJZOGIN-XHSDSOJGSA-N 2 2 329.460 1.139 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000675744521 487440454 /nfs/dbraw/zinc/44/04/54/487440454.db2.gz GCUJNOALRNPZLZ-QGZVFWFLSA-N 2 2 344.503 1.655 20 0 EDADLP C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000683145515 487454647 /nfs/dbraw/zinc/45/46/47/487454647.db2.gz ASDCFUGOMNWUQS-BEFAXECRSA-N 2 2 347.459 1.614 20 0 EDADLP Cc1ccc(CNC(=O)NCC(F)(F)C[NH3+])c(N2CCCC2)[nH+]1 ZINC000669555884 485557173 /nfs/dbraw/zinc/55/71/73/485557173.db2.gz NDHGTAQLAMTDKG-UHFFFAOYSA-N 2 2 327.379 1.383 20 0 EDADLP [NH3+][C@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cscn1 ZINC000584524611 485869963 /nfs/dbraw/zinc/86/99/63/485869963.db2.gz XAHPTAKUZSVAMP-BJJXKVORSA-N 2 2 348.447 1.792 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NCC[NH2+]C2CC2)[NH+]2CCOCC2)c1 ZINC000669276395 485915492 /nfs/dbraw/zinc/91/54/92/485915492.db2.gz DVEUCAQZGLXUOQ-SFHVURJKSA-N 2 2 346.475 1.420 20 0 EDADLP CCc1nn(C)cc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000092369052 485940564 /nfs/dbraw/zinc/94/05/64/485940564.db2.gz VLOZHBRJNLBYSQ-GOSISDBHSA-N 2 2 328.460 1.491 20 0 EDADLP CCc1nn(C)cc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000092369052 485940568 /nfs/dbraw/zinc/94/05/68/485940568.db2.gz VLOZHBRJNLBYSQ-GOSISDBHSA-N 2 2 328.460 1.491 20 0 EDADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000668618989 485960463 /nfs/dbraw/zinc/96/04/63/485960463.db2.gz WYCFSNSBVGDLIO-NXHRZFHOSA-N 2 2 337.508 1.819 20 0 EDADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000668618989 485960470 /nfs/dbraw/zinc/96/04/70/485960470.db2.gz WYCFSNSBVGDLIO-NXHRZFHOSA-N 2 2 337.508 1.819 20 0 EDADLP [NH3+]C1(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)CCC1 ZINC000237907648 486017520 /nfs/dbraw/zinc/01/75/20/486017520.db2.gz NHAOCZOAOKGSOJ-SJORKVTESA-N 2 2 329.444 1.370 20 0 EDADLP [NH3+]C1(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)CCC1 ZINC000237907648 486017526 /nfs/dbraw/zinc/01/75/26/486017526.db2.gz NHAOCZOAOKGSOJ-SJORKVTESA-N 2 2 329.444 1.370 20 0 EDADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669388015 486022532 /nfs/dbraw/zinc/02/25/32/486022532.db2.gz STJIWOYHJBDPQQ-ZBFHGGJFSA-N 2 2 329.448 1.444 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000668684100 486039783 /nfs/dbraw/zinc/03/97/83/486039783.db2.gz NQRMKUCCVCASDT-DYVFJYSZSA-N 2 2 345.447 1.492 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000669687606 486072199 /nfs/dbraw/zinc/07/21/99/486072199.db2.gz LYDGWIOYXRKSFD-SFHVURJKSA-N 2 2 347.503 1.842 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000669687606 486072204 /nfs/dbraw/zinc/07/22/04/486072204.db2.gz LYDGWIOYXRKSFD-SFHVURJKSA-N 2 2 347.503 1.842 20 0 EDADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CCO1 ZINC000669409067 486096620 /nfs/dbraw/zinc/09/66/20/486096620.db2.gz OFTQACDXTBONID-CJNGLKHVSA-N 2 2 329.404 1.130 20 0 EDADLP CN(Cc1ccnn1CC1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668161789 486182155 /nfs/dbraw/zinc/18/21/55/486182155.db2.gz DTZNHRLZJQOZKB-SFHVURJKSA-N 2 2 331.508 1.893 20 0 EDADLP CN(Cc1ccnn1CC1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668161789 486182163 /nfs/dbraw/zinc/18/21/63/486182163.db2.gz DTZNHRLZJQOZKB-SFHVURJKSA-N 2 2 331.508 1.893 20 0 EDADLP C[N@H+](Cc1ccnn1CC1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668161789 486182170 /nfs/dbraw/zinc/18/21/70/486182170.db2.gz DTZNHRLZJQOZKB-SFHVURJKSA-N 2 2 331.508 1.893 20 0 EDADLP C[N@@H+](Cc1ccnn1CC1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668161789 486182174 /nfs/dbraw/zinc/18/21/74/486182174.db2.gz DTZNHRLZJQOZKB-SFHVURJKSA-N 2 2 331.508 1.893 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000668793101 486203049 /nfs/dbraw/zinc/20/30/49/486203049.db2.gz GJJVEIDLIGPYEA-WBMJQRKESA-N 2 2 331.420 1.102 20 0 EDADLP CN(CCC[NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000669474451 486227539 /nfs/dbraw/zinc/22/75/39/486227539.db2.gz MFOIBKRGMHZUBC-ZDUSSCGKSA-N 2 2 340.418 1.919 20 0 EDADLP CN(CCC[NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000669474451 486227545 /nfs/dbraw/zinc/22/75/45/486227545.db2.gz MFOIBKRGMHZUBC-ZDUSSCGKSA-N 2 2 340.418 1.919 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000668889015 486307466 /nfs/dbraw/zinc/30/74/66/486307466.db2.gz BQKLQVZUCVWFJJ-WFASDCNBSA-N 2 2 331.395 1.700 20 0 EDADLP CO[C@@H]([C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000459195801 486456963 /nfs/dbraw/zinc/45/69/63/486456963.db2.gz OSBLPNZJRWOEOI-YOEHRIQHSA-N 2 2 340.512 1.467 20 0 EDADLP CO[C@@H]([C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000459195801 486456968 /nfs/dbraw/zinc/45/69/68/486456968.db2.gz OSBLPNZJRWOEOI-YOEHRIQHSA-N 2 2 340.512 1.467 20 0 EDADLP CN(C)c1c[nH+]ccc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000670080439 486606771 /nfs/dbraw/zinc/60/67/71/486606771.db2.gz QSKBLNWJZKCDHG-UHFFFAOYSA-N 2 2 339.443 1.919 20 0 EDADLP CC(C)OCC[NH+]1CCC(NC(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000670081545 486608450 /nfs/dbraw/zinc/60/84/50/486608450.db2.gz CSNKOQTVBIFUON-UHFFFAOYSA-N 2 2 349.479 1.580 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000161852025 486645527 /nfs/dbraw/zinc/64/55/27/486645527.db2.gz VOKFOLQVYCIWHI-PVAVHDDUSA-N 2 2 348.466 1.722 20 0 EDADLP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662261025 501066707 /nfs/dbraw/zinc/06/67/07/501066707.db2.gz SSTFLAQZVAFXOY-OCCSQVGLSA-N 2 2 338.839 1.374 20 0 EDADLP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662261025 501066709 /nfs/dbraw/zinc/06/67/09/501066709.db2.gz SSTFLAQZVAFXOY-OCCSQVGLSA-N 2 2 338.839 1.374 20 0 EDADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158877323 534087136 /nfs/dbraw/zinc/08/71/36/534087136.db2.gz XSHVGEGODFJRCF-SJORKVTESA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158877323 534087147 /nfs/dbraw/zinc/08/71/47/534087147.db2.gz XSHVGEGODFJRCF-SJORKVTESA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158877323 534087158 /nfs/dbraw/zinc/08/71/58/534087158.db2.gz XSHVGEGODFJRCF-SJORKVTESA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158877323 534087169 /nfs/dbraw/zinc/08/71/69/534087169.db2.gz XSHVGEGODFJRCF-SJORKVTESA-N 2 2 331.460 1.728 20 0 EDADLP CCC(CC)[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000154893019 528809061 /nfs/dbraw/zinc/80/90/61/528809061.db2.gz WAPFDUKIFQZICL-KRWDZBQOSA-N 2 2 336.480 1.869 20 0 EDADLP CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000168163683 529036718 /nfs/dbraw/zinc/03/67/18/529036718.db2.gz NVEPSWILPZCRJS-ZFWWWQNUSA-N 2 2 325.478 1.563 20 0 EDADLP CC(C)[C@H](CNC(=O)NCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000125157100 535004004 /nfs/dbraw/zinc/00/40/04/535004004.db2.gz AWSOJRGBUCMUQX-KRWDZBQOSA-N 2 2 340.512 1.374 20 0 EDADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000262285036 535042498 /nfs/dbraw/zinc/04/24/98/535042498.db2.gz VGBZHWOSPJHYHI-ZSZQSSIHSA-N 2 2 344.459 1.263 20 0 EDADLP CC(C)N1CC[C@@H]([N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000249532052 535222955 /nfs/dbraw/zinc/22/29/55/535222955.db2.gz BDWOUTMHAOGEPN-QUCCMNQESA-N 2 2 345.487 1.565 20 0 EDADLP CC(C)N1CC[C@@H]([N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1=O ZINC000249532052 535222963 /nfs/dbraw/zinc/22/29/63/535222963.db2.gz BDWOUTMHAOGEPN-QUCCMNQESA-N 2 2 345.487 1.565 20 0 EDADLP CC(C)N1CC[C@@H]([NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000249532052 535222968 /nfs/dbraw/zinc/22/29/68/535222968.db2.gz BDWOUTMHAOGEPN-QUCCMNQESA-N 2 2 345.487 1.565 20 0 EDADLP CC(C)N1CC[C@@H]([NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000249532052 535222972 /nfs/dbraw/zinc/22/29/72/535222972.db2.gz BDWOUTMHAOGEPN-QUCCMNQESA-N 2 2 345.487 1.565 20 0 EDADLP CC(C)N1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)C1=O ZINC000346910798 535243687 /nfs/dbraw/zinc/24/36/87/535243687.db2.gz CWIOHASPKZSCKR-RYQLBKOJSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)C1=O ZINC000346910798 535243694 /nfs/dbraw/zinc/24/36/94/535243694.db2.gz CWIOHASPKZSCKR-RYQLBKOJSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000346910798 535243706 /nfs/dbraw/zinc/24/37/06/535243706.db2.gz CWIOHASPKZSCKR-RYQLBKOJSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)N1CC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000346910798 535243711 /nfs/dbraw/zinc/24/37/11/535243711.db2.gz CWIOHASPKZSCKR-RYQLBKOJSA-N 2 2 347.507 1.744 20 0 EDADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H](OCCO)C3)sc2C1 ZINC000346228797 535250701 /nfs/dbraw/zinc/25/07/01/535250701.db2.gz UNHWEPQEMACBEW-AWEZNQCLSA-N 2 2 339.505 1.883 20 0 EDADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H](OCCO)C3)sc2C1 ZINC000346228797 535250706 /nfs/dbraw/zinc/25/07/06/535250706.db2.gz UNHWEPQEMACBEW-AWEZNQCLSA-N 2 2 339.505 1.883 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H](OCCO)C3)sc2C1 ZINC000346228797 535250710 /nfs/dbraw/zinc/25/07/10/535250710.db2.gz UNHWEPQEMACBEW-AWEZNQCLSA-N 2 2 339.505 1.883 20 0 EDADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H](OCCO)C3)sc2C1 ZINC000346228797 535250712 /nfs/dbraw/zinc/25/07/12/535250712.db2.gz UNHWEPQEMACBEW-AWEZNQCLSA-N 2 2 339.505 1.883 20 0 EDADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000245429786 535264156 /nfs/dbraw/zinc/26/41/56/535264156.db2.gz NHPLBETWWOLACN-RDJZCZTQSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000245429786 535264161 /nfs/dbraw/zinc/26/41/61/535264161.db2.gz NHPLBETWWOLACN-RDJZCZTQSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000245429786 535264162 /nfs/dbraw/zinc/26/41/62/535264162.db2.gz NHPLBETWWOLACN-RDJZCZTQSA-N 2 2 333.480 1.579 20 0 EDADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000245429786 535264166 /nfs/dbraw/zinc/26/41/66/535264166.db2.gz NHPLBETWWOLACN-RDJZCZTQSA-N 2 2 333.480 1.579 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCc2cnccc2C)CC1 ZINC000347770281 535489545 /nfs/dbraw/zinc/48/95/45/535489545.db2.gz ARBUVGIUAHCGRX-UHFFFAOYSA-N 2 2 332.492 1.809 20 0 EDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000340042535 535563098 /nfs/dbraw/zinc/56/30/98/535563098.db2.gz SWKLVBHQEPLWGS-INIZCTEOSA-N 2 2 345.484 1.690 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cncc2F)CC1 ZINC000353201576 535640298 /nfs/dbraw/zinc/64/02/98/535640298.db2.gz MWQKKDSCQAKCHW-NEPJUHHUSA-N 2 2 326.391 1.563 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([N@H+](C)CCO)[C@H]1C ZINC000347083722 536159455 /nfs/dbraw/zinc/15/94/55/536159455.db2.gz LIJTVJOCISKRJH-ZBFHGGJFSA-N 2 2 344.459 1.512 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([N@@H+](C)CCO)[C@H]1C ZINC000347083722 536159459 /nfs/dbraw/zinc/15/94/59/536159459.db2.gz LIJTVJOCISKRJH-ZBFHGGJFSA-N 2 2 344.459 1.512 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000124332979 536362583 /nfs/dbraw/zinc/36/25/83/536362583.db2.gz LBQRMRORLMQZSW-UHFFFAOYSA-N 2 2 330.388 1.615 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000124332979 536362586 /nfs/dbraw/zinc/36/25/86/536362586.db2.gz LBQRMRORLMQZSW-UHFFFAOYSA-N 2 2 330.388 1.615 20 0 EDADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000271722263 536363469 /nfs/dbraw/zinc/36/34/69/536363469.db2.gz RQRDMZRAYYDRDX-INIZCTEOSA-N 2 2 337.445 1.342 20 0 EDADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000271722263 536363471 /nfs/dbraw/zinc/36/34/71/536363471.db2.gz RQRDMZRAYYDRDX-INIZCTEOSA-N 2 2 337.445 1.342 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000246575224 536471899 /nfs/dbraw/zinc/47/18/99/536471899.db2.gz CALKNOKEZNGFJU-JKSUJKDBSA-N 2 2 325.416 1.824 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000246575224 536471901 /nfs/dbraw/zinc/47/19/01/536471901.db2.gz CALKNOKEZNGFJU-JKSUJKDBSA-N 2 2 325.416 1.824 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)CCO1 ZINC000726257304 578339635 /nfs/dbraw/zinc/33/96/35/578339635.db2.gz OFDIHYIORYPMQN-OAHLLOKOSA-N 2 2 332.448 1.022 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2Cc3ccccc3C2)CCO1 ZINC000726257304 578339636 /nfs/dbraw/zinc/33/96/36/578339636.db2.gz OFDIHYIORYPMQN-OAHLLOKOSA-N 2 2 332.448 1.022 20 0 EDADLP CC(C)C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(=O)NCC[NH+](C)C ZINC000759894303 580018282 /nfs/dbraw/zinc/01/82/82/580018282.db2.gz MFRVGPGJMPTSTJ-AWEZNQCLSA-N 2 2 345.447 1.157 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)N1CC[NH+](Cc2ccccn2)CC1 ZINC000727070775 578513762 /nfs/dbraw/zinc/51/37/62/578513762.db2.gz NFFSEMFWLWDWRD-UHFFFAOYSA-N 2 2 349.548 1.662 20 0 EDADLP C[NH+](C)CC(C)(C)CNC(=S)N1CC[NH+](Cc2cccnc2)CC1 ZINC000727071243 578513924 /nfs/dbraw/zinc/51/39/24/578513924.db2.gz ATQDNCZSXSRURC-UHFFFAOYSA-N 2 2 349.548 1.662 20 0 EDADLP Cc1occc1C(=O)NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000727587158 578535056 /nfs/dbraw/zinc/53/50/56/578535056.db2.gz ZOAQJGWAWFFRQY-INIZCTEOSA-N 2 2 335.448 1.239 20 0 EDADLP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000729681482 578587183 /nfs/dbraw/zinc/58/71/83/578587183.db2.gz DPARZMSTPDJPFZ-GOEBONIOSA-N 2 2 349.475 1.735 20 0 EDADLP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000729681482 578587185 /nfs/dbraw/zinc/58/71/85/578587185.db2.gz DPARZMSTPDJPFZ-GOEBONIOSA-N 2 2 349.475 1.735 20 0 EDADLP Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729929928 578602584 /nfs/dbraw/zinc/60/25/84/578602584.db2.gz CLXXJPZUPMWZAO-UONOGXRCSA-N 2 2 326.872 1.976 20 0 EDADLP Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729929928 578602586 /nfs/dbraw/zinc/60/25/86/578602586.db2.gz CLXXJPZUPMWZAO-UONOGXRCSA-N 2 2 326.872 1.976 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000729929715 578602633 /nfs/dbraw/zinc/60/26/33/578602633.db2.gz OIBMYGPFUIVKQC-CQSZACIVSA-N 2 2 341.415 1.566 20 0 EDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000729929715 578602634 /nfs/dbraw/zinc/60/26/34/578602634.db2.gz OIBMYGPFUIVKQC-CQSZACIVSA-N 2 2 341.415 1.566 20 0 EDADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1CC[NH+](CCO)CC1 ZINC000732455827 578713286 /nfs/dbraw/zinc/71/32/86/578713286.db2.gz QTCVTCJCAIBELE-UHFFFAOYSA-N 2 2 343.431 1.128 20 0 EDADLP CSCCCNC(=S)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732721686 578725722 /nfs/dbraw/zinc/72/57/22/578725722.db2.gz UUJLWZAJEFMSQY-CYBMUJFWSA-N 2 2 330.567 1.372 20 0 EDADLP CSCCCNC(=S)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732721686 578725723 /nfs/dbraw/zinc/72/57/23/578725723.db2.gz UUJLWZAJEFMSQY-CYBMUJFWSA-N 2 2 330.567 1.372 20 0 EDADLP COc1ccc(/C=C\C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732779259 578727679 /nfs/dbraw/zinc/72/76/79/578727679.db2.gz CKSSSYDGEOBKIU-AFCDSYGPSA-N 2 2 343.471 1.993 20 0 EDADLP COc1ccc(/C=C\C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732779259 578727681 /nfs/dbraw/zinc/72/76/81/578727681.db2.gz CKSSSYDGEOBKIU-AFCDSYGPSA-N 2 2 343.471 1.993 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734265139 578805479 /nfs/dbraw/zinc/80/54/79/578805479.db2.gz KHGBQRIZLGIQFO-AWEZNQCLSA-N 2 2 326.404 1.303 20 0 EDADLP O=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734265139 578805480 /nfs/dbraw/zinc/80/54/80/578805480.db2.gz KHGBQRIZLGIQFO-AWEZNQCLSA-N 2 2 326.404 1.303 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000760873714 580040359 /nfs/dbraw/zinc/04/03/59/580040359.db2.gz BMCLTCSURWPZIL-OAHLLOKOSA-N 2 2 349.479 1.799 20 0 EDADLP Cc1cccc2c(N[C@@H]3CCc4[nH+]ccn4C3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737409346 579086595 /nfs/dbraw/zinc/08/65/95/579086595.db2.gz MSDBIFWXNFPIHH-GFCCVEGCSA-N 2 2 346.398 1.769 20 0 EDADLP Nc1cccc2c1C(=O)N(C[NH+]1CCC(n3cc[nH+]c3)CC1)C2=O ZINC000738110288 579160753 /nfs/dbraw/zinc/16/07/53/579160753.db2.gz FHLBWQQCOQJNSK-UHFFFAOYSA-N 2 2 325.372 1.356 20 0 EDADLP O=C1C(=O)N(C2CCCC2)C(=O)N1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738149936 579164604 /nfs/dbraw/zinc/16/46/04/579164604.db2.gz TYUZUWOAKRJAJO-AWEZNQCLSA-N 2 2 345.403 1.211 20 0 EDADLP O=C1C(=O)N(C2CCCC2)C(=O)N1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738149936 579164605 /nfs/dbraw/zinc/16/46/05/579164605.db2.gz TYUZUWOAKRJAJO-AWEZNQCLSA-N 2 2 345.403 1.211 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)OCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000744739681 579522567 /nfs/dbraw/zinc/52/25/67/579522567.db2.gz FMYDUZULVBFTJX-UHFFFAOYSA-N 2 2 348.447 1.578 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCN(c4[nH+]ccn4C)CC3)nc[nH+]2)C1 ZINC000745973044 579568789 /nfs/dbraw/zinc/56/87/89/579568789.db2.gz MFKBTOOWNJBJQZ-HNNXBMFYSA-N 2 2 341.463 1.773 20 0 EDADLP C[C@H]1CCCN(c2cc(N3CCN(c4[nH+]ccn4C)CC3)[nH+]cn2)C1 ZINC000745973044 579568791 /nfs/dbraw/zinc/56/87/91/579568791.db2.gz MFKBTOOWNJBJQZ-HNNXBMFYSA-N 2 2 341.463 1.773 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3csc4cncn43)C2)CC1 ZINC000746255042 579582346 /nfs/dbraw/zinc/58/23/46/579582346.db2.gz WOCGPYNYNDOYTD-GFCCVEGCSA-N 2 2 333.461 1.294 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3csc4cncn43)C2)CC1 ZINC000746255042 579582347 /nfs/dbraw/zinc/58/23/47/579582347.db2.gz WOCGPYNYNDOYTD-GFCCVEGCSA-N 2 2 333.461 1.294 20 0 EDADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000746511324 579599119 /nfs/dbraw/zinc/59/91/19/579599119.db2.gz FMZOHEPZBFPJGS-CYBMUJFWSA-N 2 2 325.376 1.352 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc2[nH+]ccn21 ZINC000747574448 579649505 /nfs/dbraw/zinc/64/95/05/579649505.db2.gz HOHYACMYADBUQO-FMKPAKJESA-N 2 2 328.416 1.658 20 0 EDADLP C[NH+]1CCC(CN2C(=O)[C@H]3CCCCN3C2=O)([NH+]2CCCCC2)CC1 ZINC000777663244 580447869 /nfs/dbraw/zinc/44/78/69/580447869.db2.gz JOPBGPLYKXNYEK-MRXNPFEDSA-N 2 2 348.491 1.753 20 0 EDADLP O=C(OCCC[NH+]1CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000750891883 579786358 /nfs/dbraw/zinc/78/63/58/579786358.db2.gz VYVWRXMTCVGHLH-SFHVURJKSA-N 2 2 348.443 1.153 20 0 EDADLP O=C(OCCC[NH+]1CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000750891883 579786360 /nfs/dbraw/zinc/78/63/60/579786360.db2.gz VYVWRXMTCVGHLH-SFHVURJKSA-N 2 2 348.443 1.153 20 0 EDADLP CCOCCNC(=S)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000751006588 579790902 /nfs/dbraw/zinc/79/09/02/579790902.db2.gz AXMTYOKQUXTUOJ-UHFFFAOYSA-N 2 2 328.526 1.046 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CCO1 ZINC000757637506 579969449 /nfs/dbraw/zinc/96/94/49/579969449.db2.gz DOMYVYNZZRYLFP-WMLDXEAASA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CCO1 ZINC000757637506 579969450 /nfs/dbraw/zinc/96/94/50/579969450.db2.gz DOMYVYNZZRYLFP-WMLDXEAASA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCO1 ZINC000757637506 579969451 /nfs/dbraw/zinc/96/94/51/579969451.db2.gz DOMYVYNZZRYLFP-WMLDXEAASA-N 2 2 332.448 1.193 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCO1 ZINC000757637506 579969452 /nfs/dbraw/zinc/96/94/52/579969452.db2.gz DOMYVYNZZRYLFP-WMLDXEAASA-N 2 2 332.448 1.193 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)NC[C@@H]1CCCCO1 ZINC000758210035 579976927 /nfs/dbraw/zinc/97/69/27/579976927.db2.gz NJZTUQFARHXXLE-INIZCTEOSA-N 2 2 342.553 1.388 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)NC[C@@H]1CCCCO1 ZINC000758210035 579976928 /nfs/dbraw/zinc/97/69/28/579976928.db2.gz NJZTUQFARHXXLE-INIZCTEOSA-N 2 2 342.553 1.388 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)NC[C@H]1CCCCO1 ZINC000758210037 579976951 /nfs/dbraw/zinc/97/69/51/579976951.db2.gz NJZTUQFARHXXLE-MRXNPFEDSA-N 2 2 342.553 1.388 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)NC[C@H]1CCCCO1 ZINC000758210037 579976952 /nfs/dbraw/zinc/97/69/52/579976952.db2.gz NJZTUQFARHXXLE-MRXNPFEDSA-N 2 2 342.553 1.388 20 0 EDADLP C[C@@H]1C[N@H+](Cn2c3ccccc3oc2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763330674 580097894 /nfs/dbraw/zinc/09/78/94/580097894.db2.gz CDFIYVOHHRXESI-HZPDHXFCSA-N 2 2 344.459 1.510 20 0 EDADLP C[C@@H]1C[N@@H+](Cn2c3ccccc3oc2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763330674 580097895 /nfs/dbraw/zinc/09/78/95/580097895.db2.gz CDFIYVOHHRXESI-HZPDHXFCSA-N 2 2 344.459 1.510 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000764929098 580131457 /nfs/dbraw/zinc/13/14/57/580131457.db2.gz JGFCFIMDRPOYOE-CYBMUJFWSA-N 2 2 326.535 1.863 20 0 EDADLP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000765456370 580142806 /nfs/dbraw/zinc/14/28/06/580142806.db2.gz PSMPQURSYAUGLJ-UHFFFAOYSA-N 2 2 340.427 1.644 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](F)Cc3ccccc3)C2)CC1 ZINC000778272252 580460473 /nfs/dbraw/zinc/46/04/73/580460473.db2.gz FTMJCEXYFPCDER-AEFFLSMTSA-N 2 2 333.451 1.852 20 0 EDADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000765960538 580155045 /nfs/dbraw/zinc/15/50/45/580155045.db2.gz ANKNHHLCRVQQOA-OAHLLOKOSA-N 2 2 330.432 1.425 20 0 EDADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000765960538 580155046 /nfs/dbraw/zinc/15/50/46/580155046.db2.gz ANKNHHLCRVQQOA-OAHLLOKOSA-N 2 2 330.432 1.425 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](F)Cc3ccccc3)C2)CC1 ZINC000778272252 580460474 /nfs/dbraw/zinc/46/04/74/580460474.db2.gz FTMJCEXYFPCDER-AEFFLSMTSA-N 2 2 333.451 1.852 20 0 EDADLP COC(=O)C[C@@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CCCOC1 ZINC000770677075 580267363 /nfs/dbraw/zinc/26/73/63/580267363.db2.gz VIUOYAQVPAYGDI-KRWDZBQOSA-N 2 2 330.388 1.469 20 0 EDADLP O=C1C[C@]2(CCOC2)CN1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000772824605 580321496 /nfs/dbraw/zinc/32/14/96/580321496.db2.gz BHKDKDNVVISJCN-SZVBFZGTSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1C[C@]2(CCOC2)CN1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000772824605 580321497 /nfs/dbraw/zinc/32/14/97/580321497.db2.gz BHKDKDNVVISJCN-SZVBFZGTSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1C[C@]2(CCOC2)CN1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000772824605 580321498 /nfs/dbraw/zinc/32/14/98/580321498.db2.gz BHKDKDNVVISJCN-SZVBFZGTSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1C[C@]2(CCOC2)CN1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000772824605 580321499 /nfs/dbraw/zinc/32/14/99/580321499.db2.gz BHKDKDNVVISJCN-SZVBFZGTSA-N 2 2 333.476 1.532 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC000775859759 580402809 /nfs/dbraw/zinc/40/28/09/580402809.db2.gz VVDPHMCNHNSSOH-UHFFFAOYSA-N 2 2 349.397 1.430 20 0 EDADLP Cc1ccc2c(C[N@H+](C)CC(=O)N3CC[NH+](C)CC3)cc(=O)oc2c1 ZINC000779332449 580483703 /nfs/dbraw/zinc/48/37/03/580483703.db2.gz MOWZFFDOYWYUJU-UHFFFAOYSA-N 2 2 343.427 1.307 20 0 EDADLP Cc1ccc2c(C[N@@H+](C)CC(=O)N3CC[NH+](C)CC3)cc(=O)oc2c1 ZINC000779332449 580483704 /nfs/dbraw/zinc/48/37/04/580483704.db2.gz MOWZFFDOYWYUJU-UHFFFAOYSA-N 2 2 343.427 1.307 20 0 EDADLP Cn1cncc1CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779646611 580492559 /nfs/dbraw/zinc/49/25/59/580492559.db2.gz SBKOXKWHWPBTNH-INIZCTEOSA-N 2 2 329.404 1.320 20 0 EDADLP Cn1cncc1CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779646611 580492560 /nfs/dbraw/zinc/49/25/60/580492560.db2.gz SBKOXKWHWPBTNH-INIZCTEOSA-N 2 2 329.404 1.320 20 0 EDADLP CC[NH+](CC)Cc1csc(NC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC000783645224 580603289 /nfs/dbraw/zinc/60/32/89/580603289.db2.gz DDDDAGXBSFDZNA-CYBMUJFWSA-N 2 2 340.493 1.892 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785438914 580644785 /nfs/dbraw/zinc/64/47/85/580644785.db2.gz MXMOMZODULTJTI-UHFFFAOYSA-N 2 2 331.258 1.383 20 0 EDADLP O=C1C[C@@H](c2cccnc2)CN1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788379151 580719697 /nfs/dbraw/zinc/71/96/97/580719697.db2.gz DVPZTVNPQWCEFN-SJLPKXTDSA-N 2 2 338.411 1.903 20 0 EDADLP O=C1C[C@@H](c2cccnc2)CN1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788379151 580719698 /nfs/dbraw/zinc/71/96/98/580719698.db2.gz DVPZTVNPQWCEFN-SJLPKXTDSA-N 2 2 338.411 1.903 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)OCC(=O)N2 ZINC000796743418 580961021 /nfs/dbraw/zinc/96/10/21/580961021.db2.gz IPOCTNQAPIYYEA-AEGPPILISA-N 2 2 331.416 1.531 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)OCC(=O)N2 ZINC000796743418 580961022 /nfs/dbraw/zinc/96/10/22/580961022.db2.gz IPOCTNQAPIYYEA-AEGPPILISA-N 2 2 331.416 1.531 20 0 EDADLP CC(C)[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000799138805 581018320 /nfs/dbraw/zinc/01/83/20/581018320.db2.gz PROINPMLZNPUAZ-ACJLOTCBSA-N 2 2 345.447 1.524 20 0 EDADLP CC(C)[C@@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000799138805 581018321 /nfs/dbraw/zinc/01/83/21/581018321.db2.gz PROINPMLZNPUAZ-ACJLOTCBSA-N 2 2 345.447 1.524 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn4c(n3)CCCC4)C2)CC1 ZINC000799630230 581033223 /nfs/dbraw/zinc/03/32/23/581033223.db2.gz XOSIXLXBFUHHBF-CQSZACIVSA-N 2 2 331.464 1.118 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cn4c(n3)CCCC4)C2)CC1 ZINC000799630230 581033224 /nfs/dbraw/zinc/03/32/24/581033224.db2.gz XOSIXLXBFUHHBF-CQSZACIVSA-N 2 2 331.464 1.118 20 0 EDADLP Cc1cccc([C@H](CNc2cc[nH+]cc2CO)[NH+]2CCOCC2)c1 ZINC000891806464 590628924 /nfs/dbraw/zinc/62/89/24/590628924.db2.gz CJXVCFZUTRFQSN-IBGZPJMESA-N 2 2 327.428 1.790 20 0 EDADLP CCC(CC)[NH2+]CCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000891845972 590652034 /nfs/dbraw/zinc/65/20/34/590652034.db2.gz HNSPNNYCFDSGGN-UHFFFAOYSA-N 2 2 349.479 1.496 20 0 EDADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000891928039 590692776 /nfs/dbraw/zinc/69/27/76/590692776.db2.gz QPVZTKFYYBUZFQ-HZPDHXFCSA-N 2 2 341.415 1.693 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CCN(C)CC[N@@H+](C)CC2)[nH+]c1 ZINC000891940042 590698168 /nfs/dbraw/zinc/69/81/68/590698168.db2.gz AFEDEIQBURJXGG-UHFFFAOYSA-N 2 2 348.495 1.081 20 0 EDADLP Cc1ccc(NCCCNC(=O)N2CCN(C)CC[N@H+](C)CC2)[nH+]c1 ZINC000891940042 590698171 /nfs/dbraw/zinc/69/81/71/590698171.db2.gz AFEDEIQBURJXGG-UHFFFAOYSA-N 2 2 348.495 1.081 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC[NH2+]C3CC3)C2)c1 ZINC000891988155 590730733 /nfs/dbraw/zinc/73/07/33/590730733.db2.gz AUDWGTGSXQQRAQ-SFHVURJKSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC[NH2+]C3CC3)C2)c1 ZINC000891988155 590730735 /nfs/dbraw/zinc/73/07/35/590730735.db2.gz AUDWGTGSXQQRAQ-SFHVURJKSA-N 2 2 346.475 1.247 20 0 EDADLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000892064990 590780072 /nfs/dbraw/zinc/78/00/72/590780072.db2.gz JLKLBGXHXMPAKH-ZDUSSCGKSA-N 2 2 326.391 1.669 20 0 EDADLP CC(=O)OC[C@@H](C)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000893380502 590820929 /nfs/dbraw/zinc/82/09/29/590820929.db2.gz YIRIZGXFNZTCHQ-CYBMUJFWSA-N 2 2 346.431 1.801 20 0 EDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000892176896 590846668 /nfs/dbraw/zinc/84/66/68/590846668.db2.gz YQUKKXQQBBUXEH-LJQANCHMSA-N 2 2 342.487 1.699 20 0 EDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000892176896 590846671 /nfs/dbraw/zinc/84/66/71/590846671.db2.gz YQUKKXQQBBUXEH-LJQANCHMSA-N 2 2 342.487 1.699 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnc4n3CCOC4)CC2)CC1 ZINC000892192811 590858760 /nfs/dbraw/zinc/85/87/60/590858760.db2.gz PLKHHPAYZJMRED-UHFFFAOYSA-N 2 2 347.507 1.404 20 0 EDADLP CN1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+](C)CC1 ZINC000888984951 590954008 /nfs/dbraw/zinc/95/40/08/590954008.db2.gz GDUAUVVPUAOHNI-UHFFFAOYSA-N 2 2 341.459 1.251 20 0 EDADLP CN1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+](C)CC1 ZINC000888984951 590954012 /nfs/dbraw/zinc/95/40/12/590954012.db2.gz GDUAUVVPUAOHNI-UHFFFAOYSA-N 2 2 341.459 1.251 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)nc[nH+]1 ZINC000893552789 590957071 /nfs/dbraw/zinc/95/70/71/590957071.db2.gz YGRUXEBDGXCTDM-HUUCEWRRSA-N 2 2 349.479 1.349 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)nc[nH+]1 ZINC000893552789 590957073 /nfs/dbraw/zinc/95/70/73/590957073.db2.gz YGRUXEBDGXCTDM-HUUCEWRRSA-N 2 2 349.479 1.349 20 0 EDADLP CN1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)Cc2ccc[nH+]c21 ZINC000892376679 591000334 /nfs/dbraw/zinc/00/03/34/591000334.db2.gz BXTUKWCIKAKJLJ-OAHLLOKOSA-N 2 2 331.464 1.821 20 0 EDADLP [NH3+][C@@H](CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000892410180 591016801 /nfs/dbraw/zinc/01/68/01/591016801.db2.gz IGCCNCKOAICKBS-ROUUACIJSA-N 2 2 346.475 1.063 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(Cl)nc4nc[nH]c43)C2)CC1 ZINC000892490174 591047458 /nfs/dbraw/zinc/04/74/58/591047458.db2.gz ORIININDLBAYGG-JTQLQIEISA-N 2 2 335.843 1.587 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(Cl)nc4nc[nH]c43)C2)CC1 ZINC000892490174 591047463 /nfs/dbraw/zinc/04/74/63/591047463.db2.gz ORIININDLBAYGG-JTQLQIEISA-N 2 2 335.843 1.587 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(N)nc(C(F)(F)F)n3)C2)CC1 ZINC000892490720 591047520 /nfs/dbraw/zinc/04/75/20/591047520.db2.gz YCNJPIFPOQUEGW-VIFPVBQESA-N 2 2 345.373 1.053 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(N)nc(C(F)(F)F)n3)C2)CC1 ZINC000892490720 591047525 /nfs/dbraw/zinc/04/75/25/591047525.db2.gz YCNJPIFPOQUEGW-VIFPVBQESA-N 2 2 345.373 1.053 20 0 EDADLP C[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)[C@@H](C)C[NH2+]1 ZINC000892513535 591054518 /nfs/dbraw/zinc/05/45/18/591054518.db2.gz CCVMWFXPBJCGGU-KGLIPLIRSA-N 2 2 349.504 1.527 20 0 EDADLP CCn1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)n1 ZINC000892553142 591069580 /nfs/dbraw/zinc/06/95/80/591069580.db2.gz JDEYANQSHJXDRP-LJQANCHMSA-N 2 2 328.460 1.720 20 0 EDADLP CCn1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C)n1 ZINC000892553142 591069582 /nfs/dbraw/zinc/06/95/82/591069582.db2.gz JDEYANQSHJXDRP-LJQANCHMSA-N 2 2 328.460 1.720 20 0 EDADLP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)s1 ZINC000892560495 591072587 /nfs/dbraw/zinc/07/25/87/591072587.db2.gz SSBNQJMUOPJQFI-OKILXGFUSA-N 2 2 336.505 1.875 20 0 EDADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000892574252 591077652 /nfs/dbraw/zinc/07/76/52/591077652.db2.gz ROUFYAPEIONXPK-CTYIDZIISA-N 2 2 336.867 1.905 20 0 EDADLP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000891468196 591081078 /nfs/dbraw/zinc/08/10/78/591081078.db2.gz UCPOYXBSKMOXMS-QGZVFWFLSA-N 2 2 343.431 1.556 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C2)c1 ZINC000892609928 591094259 /nfs/dbraw/zinc/09/42/59/591094259.db2.gz XVBNKQDXZWDLLF-KRWDZBQOSA-N 2 2 348.491 1.622 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCCC(C)(C)[NH3+])C2)c1 ZINC000892609928 591094262 /nfs/dbraw/zinc/09/42/62/591094262.db2.gz XVBNKQDXZWDLLF-KRWDZBQOSA-N 2 2 348.491 1.622 20 0 EDADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000892616564 591098087 /nfs/dbraw/zinc/09/80/87/591098087.db2.gz WFJTZWPYXRRKGH-KRWDZBQOSA-N 2 2 328.460 1.958 20 0 EDADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000892616564 591098089 /nfs/dbraw/zinc/09/80/89/591098089.db2.gz WFJTZWPYXRRKGH-KRWDZBQOSA-N 2 2 328.460 1.958 20 0 EDADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891536584 591113858 /nfs/dbraw/zinc/11/38/58/591113858.db2.gz VRDRCUPRGZSACZ-NSHDSACASA-N 2 2 348.476 1.511 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](CCO)C2CCCC2)CC1 ZINC000893866834 591120572 /nfs/dbraw/zinc/12/05/72/591120572.db2.gz MXTYCHZEFVWBLM-KRWDZBQOSA-N 2 2 340.512 1.253 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000892723215 591149561 /nfs/dbraw/zinc/14/95/61/591149561.db2.gz JIHHJLXUVFTRLS-UHFFFAOYSA-N 2 2 329.448 1.527 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nc[nH+]1 ZINC000893960432 591150026 /nfs/dbraw/zinc/15/00/26/591150026.db2.gz SJOMWMYAVOYZKW-HUUCEWRRSA-N 2 2 333.480 1.970 20 0 EDADLP CC[C@H](CO)Nc1cc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nc[nH+]1 ZINC000893960432 591150028 /nfs/dbraw/zinc/15/00/28/591150028.db2.gz SJOMWMYAVOYZKW-HUUCEWRRSA-N 2 2 333.480 1.970 20 0 EDADLP COCCOC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000894031991 591171583 /nfs/dbraw/zinc/17/15/83/591171583.db2.gz QVMPGPKEQTZYLZ-PKOBYXMFSA-N 2 2 336.476 1.919 20 0 EDADLP COCCOC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000894031991 591171585 /nfs/dbraw/zinc/17/15/85/591171585.db2.gz QVMPGPKEQTZYLZ-PKOBYXMFSA-N 2 2 336.476 1.919 20 0 EDADLP CC[C@H](CO)Nc1cc(NCCN2CCC([NH+](C)C)CC2)nc[nH+]1 ZINC000892815532 591191081 /nfs/dbraw/zinc/19/10/81/591191081.db2.gz DAEPZUYFBSXOEC-CQSZACIVSA-N 2 2 336.484 1.097 20 0 EDADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000891716645 591196734 /nfs/dbraw/zinc/19/67/34/591196734.db2.gz VIAXDGWVDCOPOF-CVEARBPZSA-N 2 2 327.432 1.755 20 0 EDADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000891716645 591196737 /nfs/dbraw/zinc/19/67/37/591196737.db2.gz VIAXDGWVDCOPOF-CVEARBPZSA-N 2 2 327.432 1.755 20 0 EDADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H](Cc2ccccc2)[NH+](C)C)C1(F)F ZINC000894149322 591207819 /nfs/dbraw/zinc/20/78/19/591207819.db2.gz JZMKLGMCYFUWEI-KKUMJFAQSA-N 2 2 326.387 1.803 20 0 EDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2csc(C(F)(F)F)n2)CC1 ZINC000892927251 591227722 /nfs/dbraw/zinc/22/77/22/591227722.db2.gz QXWMTYCOGBZZMZ-UHFFFAOYSA-N 2 2 336.383 1.416 20 0 EDADLP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c2c(c1)CCCN2 ZINC000894256675 591250960 /nfs/dbraw/zinc/25/09/60/591250960.db2.gz UBKHPZZADGOXHZ-LJQANCHMSA-N 2 2 344.503 1.541 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000895848959 591287213 /nfs/dbraw/zinc/28/72/13/591287213.db2.gz RUDPXBPKYDJFMW-YOEHRIQHSA-N 2 2 341.521 1.183 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000895848959 591287216 /nfs/dbraw/zinc/28/72/16/591287216.db2.gz RUDPXBPKYDJFMW-YOEHRIQHSA-N 2 2 341.521 1.183 20 0 EDADLP CCO[C@@H](CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1)C[NH+](C)C ZINC000896117452 591349068 /nfs/dbraw/zinc/34/90/68/591349068.db2.gz UQJJYUFGYOADDN-GJZGRUSLSA-N 2 2 337.468 1.206 20 0 EDADLP Cc1ccn2ncnc2c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000888209435 591448583 /nfs/dbraw/zinc/44/85/83/591448583.db2.gz GDEUCOPXLBZRHS-UHFFFAOYSA-N 2 2 333.440 1.043 20 0 EDADLP Cc1ccn2ncnc2c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000888209435 591448586 /nfs/dbraw/zinc/44/85/86/591448586.db2.gz GDEUCOPXLBZRHS-UHFFFAOYSA-N 2 2 333.440 1.043 20 0 EDADLP C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1C[N@H+](C)CCN1C ZINC000896533046 591497794 /nfs/dbraw/zinc/49/77/94/591497794.db2.gz NLQHZFYCMRQQNP-AVGNSLFASA-N 2 2 347.385 1.127 20 0 EDADLP C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)[C@@H]1C[N@@H+](C)CCN1C ZINC000896533046 591497797 /nfs/dbraw/zinc/49/77/97/591497797.db2.gz NLQHZFYCMRQQNP-AVGNSLFASA-N 2 2 347.385 1.127 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000897513429 591514198 /nfs/dbraw/zinc/51/41/98/591514198.db2.gz BOFLKELKKFTDIX-KGLIPLIRSA-N 2 2 337.468 1.263 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000897513429 591514199 /nfs/dbraw/zinc/51/41/99/591514199.db2.gz BOFLKELKKFTDIX-KGLIPLIRSA-N 2 2 337.468 1.263 20 0 EDADLP OC1(C2(C[NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)CC2)CCC1 ZINC000897528287 591531672 /nfs/dbraw/zinc/53/16/72/591531672.db2.gz BUUNRSOSMGVPIN-UHFFFAOYSA-N 2 2 337.508 1.068 20 0 EDADLP OC1(C2(C[NH2+]C3CC[NH+](CCN4CCOCC4)CC3)CC2)CCC1 ZINC000897528287 591531678 /nfs/dbraw/zinc/53/16/78/591531678.db2.gz BUUNRSOSMGVPIN-UHFFFAOYSA-N 2 2 337.508 1.068 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000898888417 591580165 /nfs/dbraw/zinc/58/01/65/591580165.db2.gz OSYASOBEBPFIRL-HOTGVXAUSA-N 2 2 346.406 1.373 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000898888417 591580168 /nfs/dbraw/zinc/58/01/68/591580168.db2.gz OSYASOBEBPFIRL-HOTGVXAUSA-N 2 2 346.406 1.373 20 0 EDADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000898891691 591582506 /nfs/dbraw/zinc/58/25/06/591582506.db2.gz JPDXNVOSTNGLIA-ZFWWWQNUSA-N 2 2 336.823 1.526 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c[nH+]1 ZINC000898977969 591619749 /nfs/dbraw/zinc/61/97/49/591619749.db2.gz NJMUVEBRLCGCII-HZPDHXFCSA-N 2 2 346.475 1.686 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000897687059 591623232 /nfs/dbraw/zinc/62/32/32/591623232.db2.gz PEEKWNFMTORTJR-GOOCMWNKSA-N 2 2 328.526 1.596 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000897687059 591623235 /nfs/dbraw/zinc/62/32/35/591623235.db2.gz PEEKWNFMTORTJR-GOOCMWNKSA-N 2 2 328.526 1.596 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CCSC1 ZINC000896835668 591626687 /nfs/dbraw/zinc/62/66/87/591626687.db2.gz ROXBLHPZSKDUPC-HOCLYGCPSA-N 2 2 337.493 1.344 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CCSC1 ZINC000896835668 591626693 /nfs/dbraw/zinc/62/66/93/591626693.db2.gz ROXBLHPZSKDUPC-HOCLYGCPSA-N 2 2 337.493 1.344 20 0 EDADLP C[NH+](C)[C@]1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CCSC1 ZINC000896835668 591626696 /nfs/dbraw/zinc/62/66/96/591626696.db2.gz ROXBLHPZSKDUPC-HOCLYGCPSA-N 2 2 337.493 1.344 20 0 EDADLP CC[NH+]1CCC([NH2+][C@H]2CCN(c3nc(C(C)C)cc(=O)[nH]3)C2)CC1 ZINC000897703607 591631768 /nfs/dbraw/zinc/63/17/68/591631768.db2.gz JDGRZTZHDXTYMP-HNNXBMFYSA-N 2 2 333.480 1.958 20 0 EDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC000896897023 591661522 /nfs/dbraw/zinc/66/15/22/591661522.db2.gz GQVYWJYILUTXQI-HNNXBMFYSA-N 2 2 335.496 1.316 20 0 EDADLP C[NH+](C)CC1(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCCCC1 ZINC000899060525 591664672 /nfs/dbraw/zinc/66/46/72/591664672.db2.gz QXFJZJFNCMRFAO-UHFFFAOYSA-N 2 2 339.480 1.064 20 0 EDADLP C[NH+](C)CC1(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCCCC1 ZINC000899060525 591664676 /nfs/dbraw/zinc/66/46/76/591664676.db2.gz QXFJZJFNCMRFAO-UHFFFAOYSA-N 2 2 339.480 1.064 20 0 EDADLP CC(C)(C)OC(=O)N1CC([NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)C1 ZINC000897140447 591750086 /nfs/dbraw/zinc/75/00/86/591750086.db2.gz UJTUWHQURYJKII-UHFFFAOYSA-N 2 2 348.447 1.315 20 0 EDADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc4oc(=O)oc4c3)CC2)CC1 ZINC000895461494 591766183 /nfs/dbraw/zinc/76/61/83/591766183.db2.gz LLMQDPVVBKAHJX-UHFFFAOYSA-N 2 2 331.416 1.598 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCOC2CCOCC2)CC1 ZINC000897194717 591766331 /nfs/dbraw/zinc/76/63/31/591766331.db2.gz FTOHLLZVUDAWNC-UHFFFAOYSA-N 2 2 328.453 1.189 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)OCCO2 ZINC000897229079 591779205 /nfs/dbraw/zinc/77/92/05/591779205.db2.gz RAHIZGHEMOFMRI-OAGGEKHMSA-N 2 2 328.428 1.463 20 0 EDADLP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)OCCO2 ZINC000897229079 591779207 /nfs/dbraw/zinc/77/92/07/591779207.db2.gz RAHIZGHEMOFMRI-OAGGEKHMSA-N 2 2 328.428 1.463 20 0 EDADLP C[C@@H]1C[N@H+](Cc2cn(C[C@H]3CCCO3)nn2)CCN1c1cc[nH+]cc1 ZINC000895556090 591800391 /nfs/dbraw/zinc/80/03/91/591800391.db2.gz DWVJMAZULMOKES-CRAIPNDOSA-N 2 2 342.447 1.563 20 0 EDADLP C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H]3Cc4ccccc4[C@H]3[NH3+])nc[nH+]2)C1 ZINC000900019665 591870373 /nfs/dbraw/zinc/87/03/73/591870373.db2.gz DPKDCRLIMCLXFB-MGPHVCOZSA-N 2 2 339.443 1.720 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2CC[NH2+]C3(CCC3)C2)[nH+]cn1 ZINC000900022603 591871455 /nfs/dbraw/zinc/87/14/55/591871455.db2.gz WJUYAPVESWJXBW-CABCVRRESA-N 2 2 331.464 1.914 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2CC[NH2+]C3(CCC3)C2)nc[nH+]1 ZINC000900022603 591871461 /nfs/dbraw/zinc/87/14/61/591871461.db2.gz WJUYAPVESWJXBW-CABCVRRESA-N 2 2 331.464 1.914 20 0 EDADLP O=C(N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C12CC[NH+](CC1)C2 ZINC000900035441 591877010 /nfs/dbraw/zinc/87/70/10/591877010.db2.gz JSMJQCMGHIOMFV-UHFFFAOYSA-N 2 2 339.443 1.074 20 0 EDADLP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000207100820 591898111 /nfs/dbraw/zinc/89/81/11/591898111.db2.gz ZPUNKRCKXQUPCX-QGZVFWFLSA-N 2 2 349.438 1.782 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900114961 591904304 /nfs/dbraw/zinc/90/43/04/591904304.db2.gz OHDGFPZDTZGIQS-SJORKVTESA-N 2 2 344.459 1.551 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900114961 591904306 /nfs/dbraw/zinc/90/43/06/591904306.db2.gz OHDGFPZDTZGIQS-SJORKVTESA-N 2 2 344.459 1.551 20 0 EDADLP C[NH+](C)C1CC[NH+](CCN2C(=O)N[C@@H](c3ccccc3)C2=O)CC1 ZINC000900125501 591908382 /nfs/dbraw/zinc/90/83/82/591908382.db2.gz VVWAAIUOOIEMPB-INIZCTEOSA-N 2 2 330.432 1.306 20 0 EDADLP CCn1c[nH+]c(CNc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000902087847 591915711 /nfs/dbraw/zinc/91/57/11/591915711.db2.gz ZTZLDTDSUYWZIO-UHFFFAOYSA-N 2 2 341.459 1.832 20 0 EDADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@H]3CCCC[NH2+]C3)nn2)CC1 ZINC000899740442 591928182 /nfs/dbraw/zinc/92/81/82/591928182.db2.gz HDCXHKIDILJLLM-HNNXBMFYSA-N 2 2 349.479 1.443 20 0 EDADLP COc1c[nH]c(CO)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1=O ZINC000902150767 591930265 /nfs/dbraw/zinc/93/02/65/591930265.db2.gz OJJSAVOPOHJERG-CQSZACIVSA-N 2 2 335.448 1.326 20 0 EDADLP COc1c[nH]c(CO)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1=O ZINC000902150767 591930268 /nfs/dbraw/zinc/93/02/68/591930268.db2.gz OJJSAVOPOHJERG-CQSZACIVSA-N 2 2 335.448 1.326 20 0 EDADLP NC(=[NH+]OCc1cnns1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000902237350 591953024 /nfs/dbraw/zinc/95/30/24/591953024.db2.gz HFKGJEWPGFOEQG-UHFFFAOYSA-N 2 2 347.444 1.542 20 0 EDADLP Cc1ccc([C@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+]2CCOCC2)cc1 ZINC000900288498 591973132 /nfs/dbraw/zinc/97/31/32/591973132.db2.gz ZAQFHKNDXUKCOW-SFHVURJKSA-N 2 2 343.471 1.580 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C[C@]2(CCCOC2)C1=O ZINC000902332781 591979924 /nfs/dbraw/zinc/97/99/24/591979924.db2.gz HXSGQLPSNRQGGJ-QAPCUYQASA-N 2 2 332.448 1.506 20 0 EDADLP CCc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C[C@]2(CCCOC2)C1=O ZINC000902332781 591979925 /nfs/dbraw/zinc/97/99/25/591979925.db2.gz HXSGQLPSNRQGGJ-QAPCUYQASA-N 2 2 332.448 1.506 20 0 EDADLP CSCC1CC[NH+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000902392552 591990055 /nfs/dbraw/zinc/99/00/55/591990055.db2.gz JPQGBEINLFBSBF-QGZVFWFLSA-N 2 2 339.505 1.936 20 0 EDADLP C/C(=C/C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900352214 591992845 /nfs/dbraw/zinc/99/28/45/591992845.db2.gz CXICDNRBQZBZJU-GQXMHKPQSA-N 2 2 337.508 1.748 20 0 EDADLP C/C(=C/C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900352214 591992848 /nfs/dbraw/zinc/99/28/48/591992848.db2.gz CXICDNRBQZBZJU-GQXMHKPQSA-N 2 2 337.508 1.748 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902464915 592000232 /nfs/dbraw/zinc/00/02/32/592000232.db2.gz FLMRMFDLMSLMOR-BQDHKBFISA-N 2 2 331.416 1.673 20 0 EDADLP CC(C)N1CC[NH+](CCC(=O)N(CC[NH+](C)C)c2ccccc2)CC1 ZINC000900429026 592015748 /nfs/dbraw/zinc/01/57/48/592015748.db2.gz HDLMHHPYEXOPPT-UHFFFAOYSA-N 2 2 346.519 1.997 20 0 EDADLP Cc1cc(N2CCC[C@@H](NC(=O)CNc3cccc[nH+]3)C2)nc(C)[nH+]1 ZINC000900638774 592079052 /nfs/dbraw/zinc/07/90/52/592079052.db2.gz ZQBDYMYDEBEQDN-OAHLLOKOSA-N 2 2 340.431 1.686 20 0 EDADLP CNc1nc(C)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900675041 592091112 /nfs/dbraw/zinc/09/11/12/592091112.db2.gz OOYQXKZZXJBKHF-CQSZACIVSA-N 2 2 331.464 1.330 20 0 EDADLP CNc1nc(C)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900675041 592091113 /nfs/dbraw/zinc/09/11/13/592091113.db2.gz OOYQXKZZXJBKHF-CQSZACIVSA-N 2 2 331.464 1.330 20 0 EDADLP CNc1[nH+]c(C)ccc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000900685750 592094155 /nfs/dbraw/zinc/09/41/55/592094155.db2.gz VTVPLFPJFVLGHW-OAHLLOKOSA-N 2 2 332.448 1.805 20 0 EDADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1)c1ccccc1 ZINC000900710117 592101593 /nfs/dbraw/zinc/10/15/93/592101593.db2.gz KVTAHFRNQCQVKF-OAHLLOKOSA-N 2 2 342.443 1.968 20 0 EDADLP C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH+]c[nH]2)CCOCC1)c1ccccc1 ZINC000900710117 592101595 /nfs/dbraw/zinc/10/15/95/592101595.db2.gz KVTAHFRNQCQVKF-OAHLLOKOSA-N 2 2 342.443 1.968 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027607 592108164 /nfs/dbraw/zinc/10/81/64/592108164.db2.gz VBHHTSOQIMPNRM-MSOLQXFVSA-N 2 2 341.459 1.456 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027607 592108166 /nfs/dbraw/zinc/10/81/66/592108166.db2.gz VBHHTSOQIMPNRM-MSOLQXFVSA-N 2 2 341.459 1.456 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027607 592108168 /nfs/dbraw/zinc/10/81/68/592108168.db2.gz VBHHTSOQIMPNRM-MSOLQXFVSA-N 2 2 341.459 1.456 20 0 EDADLP CC(=O)OCc1cccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000903083911 592117388 /nfs/dbraw/zinc/11/73/88/592117388.db2.gz QMDJIPFFOGUUFZ-AWEZNQCLSA-N 2 2 333.432 1.174 20 0 EDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1Cc2ccccc2OCC1=O ZINC000903181158 592131943 /nfs/dbraw/zinc/13/19/43/592131943.db2.gz FRWPMOAQSLMEQA-WMLDXEAASA-N 2 2 329.444 1.480 20 0 EDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1Cc2ccccc2OCC1=O ZINC000903181158 592131945 /nfs/dbraw/zinc/13/19/45/592131945.db2.gz FRWPMOAQSLMEQA-WMLDXEAASA-N 2 2 329.444 1.480 20 0 EDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000903208590 592139157 /nfs/dbraw/zinc/13/91/57/592139157.db2.gz RLWRHNZRTHISCI-HNNXBMFYSA-N 2 2 335.473 1.143 20 0 EDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)C1 ZINC000903208590 592139158 /nfs/dbraw/zinc/13/91/58/592139158.db2.gz RLWRHNZRTHISCI-HNNXBMFYSA-N 2 2 335.473 1.143 20 0 EDADLP C/C(=C/C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000900851417 592147360 /nfs/dbraw/zinc/14/73/60/592147360.db2.gz BWJHZJXSLPRFBD-MTMYEVCSSA-N 2 2 335.492 1.599 20 0 EDADLP CC[C@H](O)[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000900858272 592149080 /nfs/dbraw/zinc/14/90/80/592149080.db2.gz PPSNCVFMURNMIC-CVEARBPZSA-N 2 2 325.497 1.460 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000903301834 592153376 /nfs/dbraw/zinc/15/33/76/592153376.db2.gz VWARTIXCFQZYKR-JJRVBVJISA-N 2 2 337.489 1.970 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000903301834 592153378 /nfs/dbraw/zinc/15/33/78/592153378.db2.gz VWARTIXCFQZYKR-JJRVBVJISA-N 2 2 337.489 1.970 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nnnn1C ZINC000903345000 592156625 /nfs/dbraw/zinc/15/66/25/592156625.db2.gz UBUUMGQMOYIULT-GOEBONIOSA-N 2 2 329.452 1.038 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCc1nnnn1C ZINC000903345000 592156627 /nfs/dbraw/zinc/15/66/27/592156627.db2.gz UBUUMGQMOYIULT-GOEBONIOSA-N 2 2 329.452 1.038 20 0 EDADLP C[NH+](C)CC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccnc1 ZINC000903383523 592163723 /nfs/dbraw/zinc/16/37/23/592163723.db2.gz NARXXDJSYIBHOK-INIZCTEOSA-N 2 2 340.493 1.088 20 0 EDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000903433058 592168744 /nfs/dbraw/zinc/16/87/44/592168744.db2.gz SLTKIYZQOJTSHM-ZBFHGGJFSA-N 2 2 335.879 1.882 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903470062 592175147 /nfs/dbraw/zinc/17/51/47/592175147.db2.gz FDBQBVNAZBREKF-KRWDZBQOSA-N 2 2 331.460 1.714 20 0 EDADLP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470849 592175402 /nfs/dbraw/zinc/17/54/02/592175402.db2.gz OCRJHVJEMWDKOT-MLGOLLRUSA-N 2 2 337.414 1.886 20 0 EDADLP CCOc1cccc(CNC(=O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000903486021 592177018 /nfs/dbraw/zinc/17/70/18/592177018.db2.gz RGZMRXDHNQXZBS-KRWDZBQOSA-N 2 2 331.460 1.966 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901000895 592201640 /nfs/dbraw/zinc/20/16/40/592201640.db2.gz QBBXWKGYCJCIKW-UHFFFAOYSA-N 2 2 327.392 1.493 20 0 EDADLP [NH3+]C1CC[NH+](CCNS(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000903565257 592212408 /nfs/dbraw/zinc/21/24/08/592212408.db2.gz HWNXYSVSBBQHBN-UHFFFAOYSA-N 2 2 331.869 1.183 20 0 EDADLP CC1(C)CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1[NH3+] ZINC000903556136 592218067 /nfs/dbraw/zinc/21/80/67/592218067.db2.gz NWMLCAOLKTXMGZ-QGZVFWFLSA-N 2 2 346.475 1.126 20 0 EDADLP C[C@]1(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)CCC[NH2+]C1 ZINC000904381358 592247472 /nfs/dbraw/zinc/24/74/72/592247472.db2.gz VUTKOFZMFFBVIH-SFHVURJKSA-N 2 2 334.439 1.436 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000904407142 592250523 /nfs/dbraw/zinc/25/05/23/592250523.db2.gz OBHINRUFSKUBIT-FQEVSTJZSA-N 3 2 346.519 1.504 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000904407142 592250528 /nfs/dbraw/zinc/25/05/28/592250528.db2.gz OBHINRUFSKUBIT-FQEVSTJZSA-N 3 2 346.519 1.504 20 0 EDADLP CCNC(=O)COc1ccc(C[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1OC ZINC000904462780 592260344 /nfs/dbraw/zinc/26/03/44/592260344.db2.gz SFLHNUIKEHGKDH-MRXNPFEDSA-N 2 2 335.448 1.298 20 0 EDADLP CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000904476303 592269435 /nfs/dbraw/zinc/26/94/35/592269435.db2.gz QCLLFSHQJPCPJK-QKVFXAPYSA-N 2 2 326.457 1.255 20 0 EDADLP CCn1cc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)nn1 ZINC000903745443 592292168 /nfs/dbraw/zinc/29/21/68/592292168.db2.gz HOBYVJJMMWYXQZ-OAHLLOKOSA-N 2 2 329.452 1.176 20 0 EDADLP CCOC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903751169 592295702 /nfs/dbraw/zinc/29/57/02/592295702.db2.gz CBHYYTZDMGFGGW-HKUYNNGSSA-N 2 2 332.444 1.820 20 0 EDADLP CCOC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903751169 592295704 /nfs/dbraw/zinc/29/57/04/592295704.db2.gz CBHYYTZDMGFGGW-HKUYNNGSSA-N 2 2 332.444 1.820 20 0 EDADLP Cc1cn2cc(NC(=O)C(=O)NC[C@H]3CCCCC[NH2+]3)ccc2[nH+]1 ZINC000906738481 592304029 /nfs/dbraw/zinc/30/40/29/592304029.db2.gz IPFOXMIRVPQBRD-CYBMUJFWSA-N 2 2 329.404 1.230 20 0 EDADLP NC(=O)c1cc(F)ccc1N1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903769670 592311287 /nfs/dbraw/zinc/31/12/87/592311287.db2.gz LUDZMCGLTPFXEU-AWEZNQCLSA-N 2 2 334.439 1.436 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCOC[C@H]1C[C@H]1CNc2ccccc21 ZINC000903789078 592323326 /nfs/dbraw/zinc/32/33/26/592323326.db2.gz UFSNVEOQKRDDCG-RCCFBDPRSA-N 2 2 345.487 1.743 20 0 EDADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCOC[C@H]1C[C@H]1CNc2ccccc21 ZINC000903789078 592323332 /nfs/dbraw/zinc/32/33/32/592323332.db2.gz UFSNVEOQKRDDCG-RCCFBDPRSA-N 2 2 345.487 1.743 20 0 EDADLP CCN(C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2)c1ccccc1 ZINC000903816188 592323912 /nfs/dbraw/zinc/32/39/12/592323912.db2.gz UUMDBVKUSJXMFB-UHFFFAOYSA-N 2 2 331.460 1.884 20 0 EDADLP CCN(C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2)c1ccccc1 ZINC000903816188 592323917 /nfs/dbraw/zinc/32/39/17/592323917.db2.gz UUMDBVKUSJXMFB-UHFFFAOYSA-N 2 2 331.460 1.884 20 0 EDADLP CC(C)(C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)[NH+]1CCCCC1 ZINC000908116938 592329941 /nfs/dbraw/zinc/32/99/41/592329941.db2.gz DGYUMHQGRAKQKD-OAHLLOKOSA-N 2 2 349.479 1.662 20 0 EDADLP CC(C)(C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+]1CCCCC1 ZINC000908116938 592329946 /nfs/dbraw/zinc/32/99/46/592329946.db2.gz DGYUMHQGRAKQKD-OAHLLOKOSA-N 2 2 349.479 1.662 20 0 EDADLP O[C@H](C[N@@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(F)cc1F ZINC000903819521 592332284 /nfs/dbraw/zinc/33/22/84/592332284.db2.gz JSMAFQQVSWGITI-MRXNPFEDSA-N 2 2 326.387 1.843 20 0 EDADLP O[C@H](C[N@H+]1CC[NH2+]CCC12CCOCC2)c1ccc(F)cc1F ZINC000903819521 592332290 /nfs/dbraw/zinc/33/22/90/592332290.db2.gz JSMAFQQVSWGITI-MRXNPFEDSA-N 2 2 326.387 1.843 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CC(=O)Nc2cc(C)ccn2)cnn1C ZINC000903888653 592351355 /nfs/dbraw/zinc/35/13/55/592351355.db2.gz IBQHQPLIXNDXLV-OAHLLOKOSA-N 2 2 344.463 1.120 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CC(=O)Nc2cc(C)ccn2)cnn1C ZINC000903888653 592351360 /nfs/dbraw/zinc/35/13/60/592351360.db2.gz IBQHQPLIXNDXLV-OAHLLOKOSA-N 2 2 344.463 1.120 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cnn1C ZINC000903872777 592354704 /nfs/dbraw/zinc/35/47/04/592354704.db2.gz CGXHQAPFGXDSHT-XLIONFOSSA-N 2 2 341.503 1.835 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCN(C)C[C@H]2c2ccccc2)cnn1C ZINC000903872777 592354710 /nfs/dbraw/zinc/35/47/10/592354710.db2.gz CGXHQAPFGXDSHT-XLIONFOSSA-N 2 2 341.503 1.835 20 0 EDADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000903878698 592358538 /nfs/dbraw/zinc/35/85/38/592358538.db2.gz WPUKDSUSFOPVEZ-GOEBONIOSA-N 2 2 343.431 1.474 20 0 EDADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000903878698 592358541 /nfs/dbraw/zinc/35/85/41/592358541.db2.gz WPUKDSUSFOPVEZ-GOEBONIOSA-N 2 2 343.431 1.474 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903894954 592366470 /nfs/dbraw/zinc/36/64/70/592366470.db2.gz IRNVUIOUEXNOKP-IAGOWNOFSA-N 3 2 332.496 1.653 20 0 EDADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903894954 592366475 /nfs/dbraw/zinc/36/64/75/592366475.db2.gz IRNVUIOUEXNOKP-IAGOWNOFSA-N 3 2 332.496 1.653 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cnn1C ZINC000903896719 592367223 /nfs/dbraw/zinc/36/72/23/592367223.db2.gz DPHOXOKSWYBCHY-WMLDXEAASA-N 2 2 334.489 1.981 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccsc3)C2)cnn1C ZINC000903896719 592367225 /nfs/dbraw/zinc/36/72/25/592367225.db2.gz DPHOXOKSWYBCHY-WMLDXEAASA-N 2 2 334.489 1.981 20 0 EDADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)C[C@H](O)c1ccccc1 ZINC000905034717 592372594 /nfs/dbraw/zinc/37/25/94/592372594.db2.gz BFUDBGUSDJOQGH-ROUUACIJSA-N 2 2 329.444 1.836 20 0 EDADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cnn1C ZINC000903933141 592384804 /nfs/dbraw/zinc/38/48/04/592384804.db2.gz YWUAPSSJJYLLRP-PKOBYXMFSA-N 3 2 349.523 1.033 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cnn1C ZINC000903935453 592386320 /nfs/dbraw/zinc/38/63/20/592386320.db2.gz PSAADOVEUUZYSI-QGZVFWFLSA-N 3 2 333.524 1.796 20 0 EDADLP C[NH+](C)Cc1cnc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)s1 ZINC000903980322 592400519 /nfs/dbraw/zinc/40/05/19/592400519.db2.gz OWTNWRFUSNEOMW-IYBDPMFKSA-N 3 2 349.548 1.605 20 0 EDADLP C[NH+](C)Cc1cnc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)s1 ZINC000903980322 592400522 /nfs/dbraw/zinc/40/05/22/592400522.db2.gz OWTNWRFUSNEOMW-IYBDPMFKSA-N 3 2 349.548 1.605 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc([C@H]([NH3+])CC4CC4)n3)cn2)CC1 ZINC000904101055 592425776 /nfs/dbraw/zinc/42/57/76/592425776.db2.gz LFDCXBSGAHARIL-CQSZACIVSA-N 2 2 328.420 1.683 20 0 EDADLP C[NH+](C)[C@]1(C[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CCSC1 ZINC000905149811 592439527 /nfs/dbraw/zinc/43/95/27/592439527.db2.gz VIWBQSUOVKDGAL-SQNIBIBYSA-N 2 2 338.517 1.888 20 0 EDADLP CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901727703 592446057 /nfs/dbraw/zinc/44/60/57/592446057.db2.gz ICTVYFZJAQJQGJ-MNOVXSKESA-N 2 2 343.269 1.805 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000905261827 592480850 /nfs/dbraw/zinc/48/08/50/592480850.db2.gz SJTUVCGQVDFSAC-NXWXRZEISA-N 2 2 334.460 1.141 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000905261827 592480853 /nfs/dbraw/zinc/48/08/53/592480853.db2.gz SJTUVCGQVDFSAC-NXWXRZEISA-N 2 2 334.460 1.141 20 0 EDADLP CCN1CCC[C@@H]([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1=O ZINC000905554890 592564535 /nfs/dbraw/zinc/56/45/35/592564535.db2.gz ZWKVGJPGNACXCS-HZPDHXFCSA-N 2 2 344.459 1.615 20 0 EDADLP C[C@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000907283476 592583213 /nfs/dbraw/zinc/58/32/13/592583213.db2.gz IMVHAVHMPVEUAV-INIZCTEOSA-N 2 2 346.475 1.201 20 0 EDADLP C[C@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000907283476 592583215 /nfs/dbraw/zinc/58/32/15/592583215.db2.gz IMVHAVHMPVEUAV-INIZCTEOSA-N 2 2 346.475 1.201 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1)COCc1cccs1 ZINC000905619857 592587566 /nfs/dbraw/zinc/58/75/66/592587566.db2.gz AWNZTLUWGLWYEH-HZPDHXFCSA-N 2 2 340.489 1.469 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1)COCc1cccs1 ZINC000905619857 592587568 /nfs/dbraw/zinc/58/75/68/592587568.db2.gz AWNZTLUWGLWYEH-HZPDHXFCSA-N 2 2 340.489 1.469 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=S)NCC(C)(C)C[NH+](C)C ZINC000905656109 592598432 /nfs/dbraw/zinc/59/84/32/592598432.db2.gz FLOJNILBVAACIE-AWEZNQCLSA-N 2 2 330.542 1.149 20 0 EDADLP CC(C)Nc1nc(N2CCCC[C@@]3(CC[NH2+]C3)C2)nc(NCCO)[nH+]1 ZINC000905684025 592611887 /nfs/dbraw/zinc/61/18/87/592611887.db2.gz YHTXGIOIJGAHLV-KRWDZBQOSA-N 2 2 349.483 1.066 20 0 EDADLP CC(C)Nc1nc(NCCO)[nH+]c(N2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000905684025 592611889 /nfs/dbraw/zinc/61/18/89/592611889.db2.gz YHTXGIOIJGAHLV-KRWDZBQOSA-N 2 2 349.483 1.066 20 0 EDADLP CC(C)Nc1nc(NCCO)nc(N2CCCC[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000905684025 592611890 /nfs/dbraw/zinc/61/18/90/592611890.db2.gz YHTXGIOIJGAHLV-KRWDZBQOSA-N 2 2 349.483 1.066 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000907372711 592614929 /nfs/dbraw/zinc/61/49/29/592614929.db2.gz DQDHTXFFNGSSSN-MRXNPFEDSA-N 2 2 331.464 1.556 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000907372711 592614931 /nfs/dbraw/zinc/61/49/31/592614931.db2.gz DQDHTXFFNGSSSN-MRXNPFEDSA-N 2 2 331.464 1.556 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000907385302 592620544 /nfs/dbraw/zinc/62/05/44/592620544.db2.gz GNTXHDHRXJUNRC-MRXNPFEDSA-N 2 2 337.464 1.030 20 0 EDADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000907385302 592620547 /nfs/dbraw/zinc/62/05/47/592620547.db2.gz GNTXHDHRXJUNRC-MRXNPFEDSA-N 2 2 337.464 1.030 20 0 EDADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NCC[N@@H+]2CC=C(C)CC2)C1 ZINC000907385302 592620554 /nfs/dbraw/zinc/62/05/54/592620554.db2.gz GNTXHDHRXJUNRC-MRXNPFEDSA-N 2 2 337.464 1.030 20 0 EDADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(CC)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000907566791 592712237 /nfs/dbraw/zinc/71/22/37/592712237.db2.gz KBSXYORFJJJRGO-IAGOWNOFSA-N 2 2 347.507 1.747 20 0 EDADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(CC)[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000907566791 592712239 /nfs/dbraw/zinc/71/22/39/592712239.db2.gz KBSXYORFJJJRGO-IAGOWNOFSA-N 2 2 347.507 1.747 20 0 EDADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000910448818 592865602 /nfs/dbraw/zinc/86/56/02/592865602.db2.gz JVLAZECXYXTYLR-AYBZRNKSSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000910448818 592865603 /nfs/dbraw/zinc/86/56/03/592865603.db2.gz JVLAZECXYXTYLR-AYBZRNKSSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000910448818 592865604 /nfs/dbraw/zinc/86/56/04/592865604.db2.gz JVLAZECXYXTYLR-AYBZRNKSSA-N 2 2 331.460 1.174 20 0 EDADLP C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000910448818 592865605 /nfs/dbraw/zinc/86/56/05/592865605.db2.gz JVLAZECXYXTYLR-AYBZRNKSSA-N 2 2 331.460 1.174 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000910874184 592899137 /nfs/dbraw/zinc/89/91/37/592899137.db2.gz QLXRYIVNYOGRAP-INIZCTEOSA-N 2 2 348.491 1.456 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000910874184 592899138 /nfs/dbraw/zinc/89/91/38/592899138.db2.gz QLXRYIVNYOGRAP-INIZCTEOSA-N 2 2 348.491 1.456 20 0 EDADLP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000910874184 592899139 /nfs/dbraw/zinc/89/91/39/592899139.db2.gz QLXRYIVNYOGRAP-INIZCTEOSA-N 2 2 348.491 1.456 20 0 EDADLP CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000910874184 592899140 /nfs/dbraw/zinc/89/91/40/592899140.db2.gz QLXRYIVNYOGRAP-INIZCTEOSA-N 2 2 348.491 1.456 20 0 EDADLP CCCC[C@@H]1CCC[C@H]1NC(=O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000911207276 592954876 /nfs/dbraw/zinc/95/48/76/592954876.db2.gz GZLMZXDWFOAGAA-GDBMZVCRSA-N 2 2 338.496 1.001 20 0 EDADLP Cc1nc(C[N@H+]2CCCN(C(=S)NCC[NH+](C)C)CC2)cs1 ZINC000734761833 592968606 /nfs/dbraw/zinc/96/86/06/592968606.db2.gz ZJCRFNHUTXMLHQ-UHFFFAOYSA-N 2 2 341.550 1.395 20 0 EDADLP Cc1nc(C[N@@H+]2CCCN(C(=S)NCC[NH+](C)C)CC2)cs1 ZINC000734761833 592968609 /nfs/dbraw/zinc/96/86/09/592968609.db2.gz ZJCRFNHUTXMLHQ-UHFFFAOYSA-N 2 2 341.550 1.395 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000911743966 592995170 /nfs/dbraw/zinc/99/51/70/592995170.db2.gz FGXIODPVBFRNRE-AWEZNQCLSA-N 2 2 328.372 1.500 20 0 EDADLP C[NH2+]CC1CCN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000911778977 593003417 /nfs/dbraw/zinc/00/34/17/593003417.db2.gz XHUXQTHAQLJXSN-LBPRGKRZSA-N 2 2 332.370 1.914 20 0 EDADLP Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)C[NH2+]CC[NH3+] ZINC000912358144 593088493 /nfs/dbraw/zinc/08/84/93/593088493.db2.gz ZOHDIKVURIKCAR-KBPBESRZSA-N 2 2 346.475 1.600 20 0 EDADLP C[C@]1(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)C[NH+]2CCC1CC2 ZINC000912380460 593089439 /nfs/dbraw/zinc/08/94/39/593089439.db2.gz SULPIQHSTPBNGQ-FQEVSTJZSA-N 2 2 343.471 1.733 20 0 EDADLP Cc1cncc(N(Cc2[nH]cc[nH+]2)C(=O)[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000912532764 593103717 /nfs/dbraw/zinc/10/37/17/593103717.db2.gz ZDQRAZKCTUIZDZ-OAHLLOKOSA-N 2 2 342.447 1.282 20 0 EDADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000838095906 593123493 /nfs/dbraw/zinc/12/34/93/593123493.db2.gz XKCKOYHNFUEPLQ-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000838095906 593123496 /nfs/dbraw/zinc/12/34/96/593123496.db2.gz XKCKOYHNFUEPLQ-MRXNPFEDSA-N 2 2 342.447 1.893 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)C1 ZINC000840116121 593199330 /nfs/dbraw/zinc/19/93/30/593199330.db2.gz MWWYYNNOGDZELK-TVEAVKIZSA-N 2 2 326.444 1.838 20 0 EDADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)C1 ZINC000840116121 593199331 /nfs/dbraw/zinc/19/93/31/593199331.db2.gz MWWYYNNOGDZELK-TVEAVKIZSA-N 2 2 326.444 1.838 20 0 EDADLP CC(C)[C@@H]1N(C[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)[C@@]12CCCO2 ZINC000839952500 593219478 /nfs/dbraw/zinc/21/94/78/593219478.db2.gz GZUSNPPWXPHVBO-PKOBYXMFSA-N 2 2 344.459 1.577 20 0 EDADLP CCn1ncc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000838897217 593236315 /nfs/dbraw/zinc/23/63/15/593236315.db2.gz CGFIXXAMWYMTBF-UHFFFAOYSA-N 2 2 342.491 1.596 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000808193372 593238260 /nfs/dbraw/zinc/23/82/60/593238260.db2.gz VMAARHWKRXQZQR-OWCLPIDISA-N 2 2 331.464 1.252 20 0 EDADLP CC1(C)C(=O)N(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@H]1[C@@H]1CCCO1 ZINC000811747544 593478279 /nfs/dbraw/zinc/47/82/79/593478279.db2.gz FSPIEOYVVIENBL-IKGGRYGDSA-N 2 2 335.492 1.778 20 0 EDADLP CC1(C)C(=O)N(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)[C@H]1[C@@H]1CCCO1 ZINC000811747544 593478280 /nfs/dbraw/zinc/47/82/80/593478280.db2.gz FSPIEOYVVIENBL-IKGGRYGDSA-N 2 2 335.492 1.778 20 0 EDADLP CSC1(CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[NH+](C)CC1 ZINC000812255934 593493359 /nfs/dbraw/zinc/49/33/59/593493359.db2.gz MUPOGRJAMAISNB-UHFFFAOYSA-N 2 2 345.472 1.825 20 0 EDADLP OCCCC[NH+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000817275948 593587142 /nfs/dbraw/zinc/58/71/42/593587142.db2.gz OTYXLMLQXZNDTC-UHFFFAOYSA-N 2 2 347.503 1.409 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1C[NH3+] ZINC000817880502 593643808 /nfs/dbraw/zinc/64/38/08/593643808.db2.gz XEHHRLVZRDSELO-UPJWGTAASA-N 2 2 329.466 1.335 20 0 EDADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)C[C@@H]1C[NH3+] ZINC000817880502 593643807 /nfs/dbraw/zinc/64/38/07/593643807.db2.gz XEHHRLVZRDSELO-UPJWGTAASA-N 2 2 329.466 1.335 20 0 EDADLP CC(C)OC(=O)N1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000817910915 593647906 /nfs/dbraw/zinc/64/79/06/593647906.db2.gz DVIBLKFUWBJYLK-HZPDHXFCSA-N 2 2 325.453 1.352 20 0 EDADLP O[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1cc(F)cc(Cl)c1 ZINC000817926838 593649229 /nfs/dbraw/zinc/64/92/29/593649229.db2.gz AUHLFIFPTFUSQY-BZUAXINKSA-N 2 2 328.815 1.869 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986195 593732301 /nfs/dbraw/zinc/73/23/01/593732301.db2.gz IALCQLWOHBELRX-LMMKCTJWSA-N 2 2 348.443 1.082 20 0 EDADLP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986195 593732302 /nfs/dbraw/zinc/73/23/02/593732302.db2.gz IALCQLWOHBELRX-LMMKCTJWSA-N 2 2 348.443 1.082 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1cccc2[nH]ccc21 ZINC000818986280 593732352 /nfs/dbraw/zinc/73/23/52/593732352.db2.gz KAIBRZVNZJDOEP-OAGGEKHMSA-N 2 2 345.443 1.360 20 0 EDADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1cccc2[nH]ccc21 ZINC000818986280 593732353 /nfs/dbraw/zinc/73/23/53/593732353.db2.gz KAIBRZVNZJDOEP-OAGGEKHMSA-N 2 2 345.443 1.360 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000819038826 593735048 /nfs/dbraw/zinc/73/50/48/593735048.db2.gz IYKUDGXICRGFGG-WMLDXEAASA-N 2 2 327.469 1.336 20 0 EDADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000819038826 593735049 /nfs/dbraw/zinc/73/50/49/593735049.db2.gz IYKUDGXICRGFGG-WMLDXEAASA-N 2 2 327.469 1.336 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000819077754 593737655 /nfs/dbraw/zinc/73/76/55/593737655.db2.gz CIXHIDBVUDYGAF-QGZVFWFLSA-N 2 2 349.475 1.688 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000819077754 593737656 /nfs/dbraw/zinc/73/76/56/593737656.db2.gz CIXHIDBVUDYGAF-QGZVFWFLSA-N 2 2 349.475 1.688 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000821583363 593869225 /nfs/dbraw/zinc/86/92/25/593869225.db2.gz SMFGKQBAGIRMAN-UHFFFAOYSA-N 2 2 333.415 1.444 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261417 593969958 /nfs/dbraw/zinc/96/99/58/593969958.db2.gz JTXSIQPVPIOZPA-WMLDXEAASA-N 2 2 344.463 1.874 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824261417 593969959 /nfs/dbraw/zinc/96/99/59/593969959.db2.gz JTXSIQPVPIOZPA-WMLDXEAASA-N 2 2 344.463 1.874 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[N@@H+]1C ZINC000824885642 594090540 /nfs/dbraw/zinc/09/05/40/594090540.db2.gz UAYPHIAKRYZHKO-GXTWGEPZSA-N 2 2 340.435 1.429 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[N@H+]1C ZINC000824885642 594090542 /nfs/dbraw/zinc/09/05/42/594090542.db2.gz UAYPHIAKRYZHKO-GXTWGEPZSA-N 2 2 340.435 1.429 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[NH+]1C ZINC000824885642 594090544 /nfs/dbraw/zinc/09/05/44/594090544.db2.gz UAYPHIAKRYZHKO-GXTWGEPZSA-N 2 2 340.435 1.429 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC[NH+]1C ZINC000824885642 594090546 /nfs/dbraw/zinc/09/05/46/594090546.db2.gz UAYPHIAKRYZHKO-GXTWGEPZSA-N 2 2 340.435 1.429 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC[NH2+]2)c1 ZINC000825208769 594148293 /nfs/dbraw/zinc/14/82/93/594148293.db2.gz QURNGMKONJTHDS-INMHGKMJSA-N 2 2 326.400 1.695 20 0 EDADLP CO[C@@H]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)Cc3ccc[nH+]c3N2C1 ZINC000825259413 594157294 /nfs/dbraw/zinc/15/72/94/594157294.db2.gz OWVKHXSVSFZLQM-JKSUJKDBSA-N 2 2 330.432 1.113 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC000825850778 594262243 /nfs/dbraw/zinc/26/22/43/594262243.db2.gz RUPRLLDFOPWTBR-XBFCOCLRSA-N 2 2 348.476 1.612 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC000825850778 594262244 /nfs/dbraw/zinc/26/22/44/594262244.db2.gz RUPRLLDFOPWTBR-XBFCOCLRSA-N 2 2 348.476 1.612 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000827885048 594297345 /nfs/dbraw/zinc/29/73/45/594297345.db2.gz PBSYTVNAESYIJG-UHFFFAOYSA-N 2 2 337.468 1.845 20 0 EDADLP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C[NH+](C)C ZINC000827892523 594298680 /nfs/dbraw/zinc/29/86/80/594298680.db2.gz MEPLTPVUHBOPDT-HUUCEWRRSA-N 3 2 329.448 1.374 20 0 EDADLP O=C(N1C[C@@H]2C[N@@H+](Cc3c[nH+]c4n3CCC4)CC[C@@H]2C1)C(F)(F)F ZINC000826064045 594322535 /nfs/dbraw/zinc/32/25/35/594322535.db2.gz CQVPIOKLLJBXRN-NEPJUHHUSA-N 2 2 342.365 1.672 20 0 EDADLP O=C(N1C[C@@H]2C[N@H+](Cc3c[nH+]c4n3CCC4)CC[C@@H]2C1)C(F)(F)F ZINC000826064045 594322537 /nfs/dbraw/zinc/32/25/37/594322537.db2.gz CQVPIOKLLJBXRN-NEPJUHHUSA-N 2 2 342.365 1.672 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)CC3(C[NH3+])CC3)CC2)cc1 ZINC000830554165 594421266 /nfs/dbraw/zinc/42/12/66/594421266.db2.gz PFUAHYSJZZUKSV-UHFFFAOYSA-N 2 2 330.476 1.967 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)CC3(C[NH3+])CC3)CC2)cc1 ZINC000830554165 594421267 /nfs/dbraw/zinc/42/12/67/594421267.db2.gz PFUAHYSJZZUKSV-UHFFFAOYSA-N 2 2 330.476 1.967 20 0 EDADLP Cc1cc([C@@H]([NH3+])CC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc(Cl)n1 ZINC000828715350 594485623 /nfs/dbraw/zinc/48/56/23/594485623.db2.gz JCERAYCBYZQBBR-OCCSQVGLSA-N 2 2 340.855 1.270 20 0 EDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000826558655 594525956 /nfs/dbraw/zinc/52/59/56/594525956.db2.gz ZYRKEQGQNJOHHC-INIZCTEOSA-N 2 2 328.416 1.278 20 0 EDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC000826558655 594525959 /nfs/dbraw/zinc/52/59/59/594525959.db2.gz ZYRKEQGQNJOHHC-INIZCTEOSA-N 2 2 328.416 1.278 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826662052 594549039 /nfs/dbraw/zinc/54/90/39/594549039.db2.gz XHIOZZGCUGYBIF-MOTZXUDYSA-N 2 2 335.492 1.788 20 0 EDADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000826662052 594549040 /nfs/dbraw/zinc/54/90/40/594549040.db2.gz XHIOZZGCUGYBIF-MOTZXUDYSA-N 2 2 335.492 1.788 20 0 EDADLP [NH3+]Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000826685924 594555453 /nfs/dbraw/zinc/55/54/53/594555453.db2.gz POLUMOHPSLVMLE-IBGZPJMESA-N 2 2 339.439 1.949 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]([NH3+])C3CC3)c[nH+]2)C[C@H](C)O1 ZINC000827086330 594637315 /nfs/dbraw/zinc/63/73/15/594637315.db2.gz LDIUEKIPEVONQY-ZENOOKHLSA-N 2 2 332.448 1.439 20 0 EDADLP COC[C@]1(C[NH2+]Cc2ccc(OC(=O)C3CC3)c(OC)c2)CCC[NH2+]1 ZINC000841068296 594846774 /nfs/dbraw/zinc/84/67/74/594846774.db2.gz YOQNVOJFTIVDHL-LJQANCHMSA-N 2 2 348.443 1.869 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c(N(C)C)[nH+]1 ZINC000841176341 594863619 /nfs/dbraw/zinc/86/36/19/594863619.db2.gz LMARKGIFJIMVDX-HNNXBMFYSA-N 2 2 347.463 1.418 20 0 EDADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000835895835 594888656 /nfs/dbraw/zinc/88/86/56/594888656.db2.gz CNEVHYZYONSKHL-AWEZNQCLSA-N 2 2 347.463 1.337 20 0 EDADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000835895835 594888658 /nfs/dbraw/zinc/88/86/58/594888658.db2.gz CNEVHYZYONSKHL-AWEZNQCLSA-N 2 2 347.463 1.337 20 0 EDADLP COc1ccccc1[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000841667861 594932641 /nfs/dbraw/zinc/93/26/41/594932641.db2.gz GOOOEWXEVVMRLU-CJNGLKHVSA-N 2 2 343.431 1.569 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841675238 594934432 /nfs/dbraw/zinc/93/44/32/594934432.db2.gz HAXRMZROKWDDIB-UHFFFAOYSA-N 2 2 343.475 1.967 20 0 EDADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000841681770 594936285 /nfs/dbraw/zinc/93/62/85/594936285.db2.gz WOPHTGWNJOJBCR-UHFFFAOYSA-N 2 2 343.475 1.967 20 0 EDADLP C[C@@H]1CCN(C(=O)NCc2cccnc2-n2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000841692612 594938604 /nfs/dbraw/zinc/93/86/04/594938604.db2.gz WPUXZAWHBPAPCQ-UKRRQHHQSA-N 2 2 328.420 1.394 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CCn3cc[nH+]c32)c1 ZINC000836236579 594941488 /nfs/dbraw/zinc/94/14/88/594941488.db2.gz XLOXLJKBAKVHQY-INIZCTEOSA-N 2 2 343.431 1.768 20 0 EDADLP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCn4cc[nH+]c43)CC2)c1 ZINC000836516641 594970581 /nfs/dbraw/zinc/97/05/81/594970581.db2.gz LKUQILDRGGXBDG-AWEZNQCLSA-N 2 2 342.403 1.263 20 0 EDADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867181616 594978113 /nfs/dbraw/zinc/97/81/13/594978113.db2.gz OVVREROYCDLUJZ-QGZVFWFLSA-N 2 2 343.431 1.603 20 0 EDADLP C[C@@]1(c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC[NH2+]C1 ZINC000843206590 595034783 /nfs/dbraw/zinc/03/47/83/595034783.db2.gz ZGLZGSLFARCVEB-CRAIPNDOSA-N 2 2 328.416 1.894 20 0 EDADLP C[C@@]1(c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC[NH2+]C1 ZINC000843206590 595034788 /nfs/dbraw/zinc/03/47/88/595034788.db2.gz ZGLZGSLFARCVEB-CRAIPNDOSA-N 2 2 328.416 1.894 20 0 EDADLP F[C@]1(c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC[NH2+]C1 ZINC000843206150 595034946 /nfs/dbraw/zinc/03/49/46/595034946.db2.gz VSZWGCCEOZGQDL-RHSMWYFYSA-N 2 2 332.379 1.801 20 0 EDADLP F[C@]1(c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC[NH2+]C1 ZINC000843206150 595034951 /nfs/dbraw/zinc/03/49/51/595034951.db2.gz VSZWGCCEOZGQDL-RHSMWYFYSA-N 2 2 332.379 1.801 20 0 EDADLP C[C@H]1CC[N@H+](CN2CC3(CC2=O)CCOCC3)C[C@@H]1n1cc[nH+]c1 ZINC000121583004 595054334 /nfs/dbraw/zinc/05/43/34/595054334.db2.gz NIRYIARPXGXDNK-HOTGVXAUSA-N 2 2 332.448 1.753 20 0 EDADLP C[C@H]1CC[N@@H+](CN2CC3(CC2=O)CCOCC3)C[C@@H]1n1cc[nH+]c1 ZINC000121583004 595054337 /nfs/dbraw/zinc/05/43/37/595054337.db2.gz NIRYIARPXGXDNK-HOTGVXAUSA-N 2 2 332.448 1.753 20 0 EDADLP Cc1c(Br)cccc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000834298803 595085096 /nfs/dbraw/zinc/08/50/96/595085096.db2.gz BFZORTZFKKKBQG-CYBMUJFWSA-N 2 2 340.265 1.401 20 0 EDADLP Cc1c(Br)cccc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000834298803 595085100 /nfs/dbraw/zinc/08/51/00/595085100.db2.gz BFZORTZFKKKBQG-CYBMUJFWSA-N 2 2 340.265 1.401 20 0 EDADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1ccc2ccccc2c1 ZINC000843384944 595095755 /nfs/dbraw/zinc/09/57/55/595095755.db2.gz KSEBAZZEXKIAAI-LJQANCHMSA-N 2 2 338.455 1.758 20 0 EDADLP C[C@@H]1C[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC2(CCCC2)O1 ZINC000842642618 595154534 /nfs/dbraw/zinc/15/45/34/595154534.db2.gz HPEUAPNGYUHRBO-DNVCBOLYSA-N 2 2 349.475 1.894 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC2(CCCC2)O1 ZINC000842642618 595154536 /nfs/dbraw/zinc/15/45/36/595154536.db2.gz HPEUAPNGYUHRBO-DNVCBOLYSA-N 2 2 349.475 1.894 20 0 EDADLP C[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H]1CC[NH3+] ZINC000846225762 595179016 /nfs/dbraw/zinc/17/90/16/595179016.db2.gz DLDZXESUCRDCFW-TZMCWYRMSA-N 2 2 329.466 1.479 20 0 EDADLP C[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H]1CC[NH3+] ZINC000846225762 595179017 /nfs/dbraw/zinc/17/90/17/595179017.db2.gz DLDZXESUCRDCFW-TZMCWYRMSA-N 2 2 329.466 1.479 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000843063685 595277639 /nfs/dbraw/zinc/27/76/39/595277639.db2.gz DUNARWODAPPCDX-QFBILLFUSA-N 2 2 332.419 1.942 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000843063685 595277640 /nfs/dbraw/zinc/27/76/40/595277640.db2.gz DUNARWODAPPCDX-QFBILLFUSA-N 2 2 332.419 1.942 20 0 EDADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000843062840 595277833 /nfs/dbraw/zinc/27/78/33/595277833.db2.gz SQMYWQOBZVGIFU-WMLDXEAASA-N 2 2 338.448 1.174 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)C1(C)C ZINC000844187129 595296423 /nfs/dbraw/zinc/29/64/23/595296423.db2.gz BOJQEAGRJIPPKA-GUYCJALGSA-N 2 2 347.450 1.707 20 0 EDADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)C1(C)C ZINC000844187129 595296425 /nfs/dbraw/zinc/29/64/25/595296425.db2.gz BOJQEAGRJIPPKA-GUYCJALGSA-N 2 2 347.450 1.707 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000846669917 595297325 /nfs/dbraw/zinc/29/73/25/595297325.db2.gz JYLARJPRPNCKBL-GJZGRUSLSA-N 2 2 327.375 1.144 20 0 EDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)CC(F)(F)C[NH3+])CC2)cc1 ZINC000846673582 595298238 /nfs/dbraw/zinc/29/82/38/595298238.db2.gz CMHRPJGRPBUKAS-UHFFFAOYSA-N 2 2 340.418 1.822 20 0 EDADLP C[NH+](C)c1ccc(N2CCC(NC(=O)CC(F)(F)C[NH3+])CC2)cc1 ZINC000846673582 595298239 /nfs/dbraw/zinc/29/82/39/595298239.db2.gz CMHRPJGRPBUKAS-UHFFFAOYSA-N 2 2 340.418 1.822 20 0 EDADLP Cc1cccn2cc(Cc3noc(C[NH2+]C[C@H]4CCCO4)n3)[nH+]c12 ZINC000843182501 595301037 /nfs/dbraw/zinc/30/10/37/595301037.db2.gz HEMNJNNKVRGXSA-CQSZACIVSA-N 2 2 327.388 1.885 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844223700 595307786 /nfs/dbraw/zinc/30/77/86/595307786.db2.gz GZBUKTLRFABDLL-SFHVURJKSA-N 2 2 332.448 1.132 20 0 EDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844223700 595307789 /nfs/dbraw/zinc/30/77/89/595307789.db2.gz GZBUKTLRFABDLL-SFHVURJKSA-N 2 2 332.448 1.132 20 0 EDADLP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846878335 595331164 /nfs/dbraw/zinc/33/11/64/595331164.db2.gz PKAWTFVBYRUIMX-MRXNPFEDSA-N 2 2 330.432 1.588 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000846915223 595336834 /nfs/dbraw/zinc/33/68/34/595336834.db2.gz QPCCAJIFPGWUCN-WMLDXEAASA-N 2 2 334.464 1.570 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000846915223 595336837 /nfs/dbraw/zinc/33/68/37/595336837.db2.gz QPCCAJIFPGWUCN-WMLDXEAASA-N 2 2 334.464 1.570 20 0 EDADLP Cc1nc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)co1 ZINC000848509454 595399991 /nfs/dbraw/zinc/39/99/91/595399991.db2.gz VVYGNXXPPUUHJI-UHFFFAOYSA-N 2 2 344.415 1.986 20 0 EDADLP COc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCO[C@H](C)C2)cc1OC ZINC000849072040 595477892 /nfs/dbraw/zinc/47/78/92/595477892.db2.gz CPBIKMOSORNSQI-CYBMUJFWSA-N 2 2 336.436 1.038 20 0 EDADLP COc1ccc(CNC(=[NH2+])NCC[N@H+]2CCO[C@H](C)C2)cc1OC ZINC000849072040 595477893 /nfs/dbraw/zinc/47/78/93/595477893.db2.gz CPBIKMOSORNSQI-CYBMUJFWSA-N 2 2 336.436 1.038 20 0 EDADLP Cc1ccc(/C=C/S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000849429501 595525087 /nfs/dbraw/zinc/52/50/87/595525087.db2.gz RYUGJLPQHKZFNL-XNTDXEJSSA-N 2 2 339.505 1.769 20 0 EDADLP Cc1ccc(/C=C/S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000849429501 595525088 /nfs/dbraw/zinc/52/50/88/595525088.db2.gz RYUGJLPQHKZFNL-XNTDXEJSSA-N 2 2 339.505 1.769 20 0 EDADLP [NH3+]C[C@@H]1CC(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)=NO1 ZINC000852855639 595578295 /nfs/dbraw/zinc/57/82/95/595578295.db2.gz LIRCLZIPTHWPFP-AWEZNQCLSA-N 2 2 336.823 1.088 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000855417322 595706298 /nfs/dbraw/zinc/70/62/98/595706298.db2.gz XYJNXMULCSGZFA-MRXNPFEDSA-N 2 2 333.432 1.288 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000855417322 595706299 /nfs/dbraw/zinc/70/62/99/595706299.db2.gz XYJNXMULCSGZFA-MRXNPFEDSA-N 2 2 333.432 1.288 20 0 EDADLP CC(C)[C@H]1CCN(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000853503553 595772435 /nfs/dbraw/zinc/77/24/35/595772435.db2.gz CNZCMEBRVDRWIH-ZZJWQFMZSA-N 2 2 348.535 1.691 20 0 EDADLP CC(C)[C@H]1CCN(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000853503553 595772436 /nfs/dbraw/zinc/77/24/36/595772436.db2.gz CNZCMEBRVDRWIH-ZZJWQFMZSA-N 2 2 348.535 1.691 20 0 EDADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3nc(N)[nH+]c(N)n3)cc2)CC1 ZINC000858418306 595790057 /nfs/dbraw/zinc/79/00/57/595790057.db2.gz POVNKJCWRCOVCA-UHFFFAOYSA-N 3 2 342.451 1.558 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000858526665 595818784 /nfs/dbraw/zinc/81/87/84/595818784.db2.gz HJTTZMGNQLUWPV-VNQPRFMTSA-N 2 2 339.480 1.695 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000858526665 595818787 /nfs/dbraw/zinc/81/87/87/595818787.db2.gz HJTTZMGNQLUWPV-VNQPRFMTSA-N 2 2 339.480 1.695 20 0 EDADLP C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000853604344 595826684 /nfs/dbraw/zinc/82/66/84/595826684.db2.gz CGLYBXKZJHPXMA-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CCO1 ZINC000853604344 595826687 /nfs/dbraw/zinc/82/66/87/595826687.db2.gz CGLYBXKZJHPXMA-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000853604344 595826692 /nfs/dbraw/zinc/82/66/92/595826692.db2.gz CGLYBXKZJHPXMA-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP C[C@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000853604344 595826696 /nfs/dbraw/zinc/82/66/96/595826696.db2.gz CGLYBXKZJHPXMA-JKSUJKDBSA-N 2 2 338.496 1.413 20 0 EDADLP Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCc3c[nH+]cn3C)cn2)n1 ZINC000853660668 595849112 /nfs/dbraw/zinc/84/91/12/595849112.db2.gz JUUZQECBMGBCTJ-UHFFFAOYSA-N 2 2 339.403 1.707 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741739 595904036 /nfs/dbraw/zinc/90/40/36/595904036.db2.gz IHURTXXZVJNIBF-HZPDHXFCSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741739 595904037 /nfs/dbraw/zinc/90/40/37/595904037.db2.gz IHURTXXZVJNIBF-HZPDHXFCSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741739 595904038 /nfs/dbraw/zinc/90/40/38/595904038.db2.gz IHURTXXZVJNIBF-HZPDHXFCSA-N 2 2 343.512 1.924 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000851741739 595904039 /nfs/dbraw/zinc/90/40/39/595904039.db2.gz IHURTXXZVJNIBF-HZPDHXFCSA-N 2 2 343.512 1.924 20 0 EDADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2cnc(Br)n2)C1 ZINC000851796164 595927090 /nfs/dbraw/zinc/92/70/90/595927090.db2.gz WLKNEARHOZMEBY-ZDUSSCGKSA-N 2 2 342.285 1.704 20 0 EDADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCn2cnc(Br)n2)C1 ZINC000851796164 595927093 /nfs/dbraw/zinc/92/70/93/595927093.db2.gz WLKNEARHOZMEBY-ZDUSSCGKSA-N 2 2 342.285 1.704 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCn2cnc(Br)n2)C1 ZINC000851796164 595927095 /nfs/dbraw/zinc/92/70/95/595927095.db2.gz WLKNEARHOZMEBY-ZDUSSCGKSA-N 2 2 342.285 1.704 20 0 EDADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCn2cnc(Br)n2)C1 ZINC000851796164 595927098 /nfs/dbraw/zinc/92/70/98/595927098.db2.gz WLKNEARHOZMEBY-ZDUSSCGKSA-N 2 2 342.285 1.704 20 0 EDADLP CC[C@@H]([NH2+]C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000854146703 595989387 /nfs/dbraw/zinc/98/93/87/595989387.db2.gz CPTPXTSRZYZQBG-CYBMUJFWSA-N 2 2 344.419 1.190 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000851990274 595998460 /nfs/dbraw/zinc/99/84/60/595998460.db2.gz QHMMYWRFNCWRRR-OAHLLOKOSA-N 2 2 348.472 1.708 20 0 EDADLP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000851990274 595998463 /nfs/dbraw/zinc/99/84/63/595998463.db2.gz QHMMYWRFNCWRRR-OAHLLOKOSA-N 2 2 348.472 1.708 20 0 EDADLP CC1(C)C[NH+]=C(N2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)S1 ZINC000859194414 596000424 /nfs/dbraw/zinc/00/04/24/596000424.db2.gz GGGXWDQAVUQQHD-CYBMUJFWSA-N 2 2 327.494 1.151 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2coc(S(N)(=O)=O)c2)cc1 ZINC000859213086 596005509 /nfs/dbraw/zinc/00/55/09/596005509.db2.gz LWWCQGAGBOAVSR-UHFFFAOYSA-N 2 2 337.445 1.621 20 0 EDADLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2coc(S(N)(=O)=O)c2)cc1 ZINC000859213086 596005512 /nfs/dbraw/zinc/00/55/12/596005512.db2.gz LWWCQGAGBOAVSR-UHFFFAOYSA-N 2 2 337.445 1.621 20 0 EDADLP Cc1[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)c1C=O ZINC000859332472 596053567 /nfs/dbraw/zinc/05/35/67/596053567.db2.gz AVGFKACGMUYSJX-MRXNPFEDSA-N 2 2 346.475 1.685 20 0 EDADLP Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000859358004 596063804 /nfs/dbraw/zinc/06/38/04/596063804.db2.gz QKJRIKIZMGXJFH-GOSISDBHSA-N 2 2 334.460 1.531 20 0 EDADLP CC(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000856812489 596091020 /nfs/dbraw/zinc/09/10/20/596091020.db2.gz YOWUGVNXVLWZHY-QGZVFWFLSA-N 2 2 330.476 1.932 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000866578111 596256986 /nfs/dbraw/zinc/25/69/86/596256986.db2.gz JLVKRXFDQVTGFI-GUYCJALGSA-N 2 2 337.489 1.210 20 0 EDADLP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000866578111 596256989 /nfs/dbraw/zinc/25/69/89/596256989.db2.gz JLVKRXFDQVTGFI-GUYCJALGSA-N 2 2 337.489 1.210 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COCc3ccccn3)c2)CC1 ZINC000870665118 596314965 /nfs/dbraw/zinc/31/49/65/596314965.db2.gz INYWVMAMQKSVAA-UHFFFAOYSA-N 2 2 341.415 1.384 20 0 EDADLP CC(C)[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000864863860 596394672 /nfs/dbraw/zinc/39/46/72/596394672.db2.gz XTFLNXYYGAWTKL-SHCNBLLESA-N 2 2 337.508 1.748 20 0 EDADLP Cc1[nH+]ccn1-c1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cn1 ZINC000864891165 596406213 /nfs/dbraw/zinc/40/62/13/596406213.db2.gz GIRCYNKZJMMTAG-NSCUHMNNSA-N 2 2 327.388 1.403 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979180 596426490 /nfs/dbraw/zinc/42/64/90/596426490.db2.gz HVWPSLQOKZWCTQ-MJGOQNOKSA-N 2 2 333.476 1.830 20 0 EDADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000870979180 596426492 /nfs/dbraw/zinc/42/64/92/596426492.db2.gz HVWPSLQOKZWCTQ-MJGOQNOKSA-N 2 2 333.476 1.830 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000869241547 596458676 /nfs/dbraw/zinc/45/86/76/596458676.db2.gz ICEWZYMWCHXWHP-UHFFFAOYSA-N 2 2 327.860 1.554 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC000869241547 596458678 /nfs/dbraw/zinc/45/86/78/596458678.db2.gz ICEWZYMWCHXWHP-UHFFFAOYSA-N 2 2 327.860 1.554 20 0 EDADLP CN1C(=S)N=NC1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119321434 596516395 /nfs/dbraw/zinc/51/63/95/596516395.db2.gz LKRPMANPVBXBIP-UHFFFAOYSA-N 2 2 339.388 1.240 20 0 EDADLP CCc1[nH+]c(C)cn1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000865392569 596560360 /nfs/dbraw/zinc/56/03/60/596560360.db2.gz DGLDMCSNEBXARX-UHFFFAOYSA-N 2 2 348.491 1.905 20 0 EDADLP CC[NH+]1CCN([C@@H](C)CNc2nc(N)[nH+]c(C3CCCC3)n2)CC1 ZINC000865441206 596575607 /nfs/dbraw/zinc/57/56/07/596575607.db2.gz COFDCAMNSDOVIJ-ZDUSSCGKSA-N 2 2 333.484 1.549 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1C(F)(F)F ZINC000863552096 596616352 /nfs/dbraw/zinc/61/63/52/596616352.db2.gz JWMCAICCUFKOTI-KWCYVHTRSA-N 2 2 349.397 1.225 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1C(F)(F)F ZINC000863552096 596616355 /nfs/dbraw/zinc/61/63/55/596616355.db2.gz JWMCAICCUFKOTI-KWCYVHTRSA-N 2 2 349.397 1.225 20 0 EDADLP c1cn2c(n1)[C@H]([NH2+]Cc1ccc(OCC[NH+]3CCOCC3)cc1)CC2 ZINC000865582645 596617590 /nfs/dbraw/zinc/61/75/90/596617590.db2.gz LQFJHVAMGANRRF-GOSISDBHSA-N 2 2 342.443 1.829 20 0 EDADLP CN(C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C(=O)OC(C)(C)C ZINC000863582780 596626906 /nfs/dbraw/zinc/62/69/06/596626906.db2.gz UJJLBYSOGYBLGP-HZPDHXFCSA-N 2 2 341.496 1.821 20 0 EDADLP CN(C[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C(=O)OC(C)(C)C ZINC000863582780 596626910 /nfs/dbraw/zinc/62/69/10/596626910.db2.gz UJJLBYSOGYBLGP-HZPDHXFCSA-N 2 2 341.496 1.821 20 0 EDADLP COCc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000865750298 596670378 /nfs/dbraw/zinc/67/03/78/596670378.db2.gz NFQHHJYGEHDMSL-INIZCTEOSA-N 2 2 349.450 1.870 20 0 EDADLP COCc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1F ZINC000865750298 596670382 /nfs/dbraw/zinc/67/03/82/596670382.db2.gz NFQHHJYGEHDMSL-INIZCTEOSA-N 2 2 349.450 1.870 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)n1C ZINC000865780953 596681031 /nfs/dbraw/zinc/68/10/31/596681031.db2.gz UIDGQYPAJYAGEO-LLVKDONJSA-N 2 2 329.395 1.079 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)n1C ZINC000865780953 596681034 /nfs/dbraw/zinc/68/10/34/596681034.db2.gz UIDGQYPAJYAGEO-LLVKDONJSA-N 2 2 329.395 1.079 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870124336 596761373 /nfs/dbraw/zinc/76/13/73/596761373.db2.gz YZBPLMOITOGVEV-ROUUACIJSA-N 2 2 345.487 1.860 20 0 EDADLP COc1ccc([C@@H]2CN(C(=O)[C@H](C)[NH+]3CCSCC3)CC[NH2+]2)cc1 ZINC000870143182 596769782 /nfs/dbraw/zinc/76/97/82/596769782.db2.gz RVWUESAPWFQPRF-YOEHRIQHSA-N 2 2 349.500 1.605 20 0 EDADLP COc1cccc([C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[NH2+]2)c1 ZINC000870151538 596774995 /nfs/dbraw/zinc/77/49/95/596774995.db2.gz DYVXNLRMWUKOKO-KRWDZBQOSA-N 2 2 328.416 1.534 20 0 EDADLP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000868312048 596783999 /nfs/dbraw/zinc/78/39/99/596783999.db2.gz JPQAWTUNDNIRCA-GOSISDBHSA-N 2 2 343.431 1.496 20 0 EDADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)CC ZINC000872049137 596799471 /nfs/dbraw/zinc/79/94/71/596799471.db2.gz PJRYZOIAIDSAIZ-JKSUJKDBSA-N 2 2 325.497 1.724 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C)C[NH+]1CCOCC1 ZINC000868369668 596807720 /nfs/dbraw/zinc/80/77/20/596807720.db2.gz WUJQVNSBZWZDKR-QAPCUYQASA-N 2 2 346.475 1.441 20 0 EDADLP C[C@H](CNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)C[NH+]1CCOCC1 ZINC000868369668 596807724 /nfs/dbraw/zinc/80/77/24/596807724.db2.gz WUJQVNSBZWZDKR-QAPCUYQASA-N 2 2 346.475 1.441 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147018 596810999 /nfs/dbraw/zinc/81/09/99/596810999.db2.gz CCKZRLOAWONPSD-NTZNESFSSA-N 2 2 349.422 1.864 20 0 EDADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147018 596811002 /nfs/dbraw/zinc/81/10/02/596811002.db2.gz CCKZRLOAWONPSD-NTZNESFSSA-N 2 2 349.422 1.864 20 0 EDADLP Cc1ccc2nc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc(=O)n2c1 ZINC000872147794 596811266 /nfs/dbraw/zinc/81/12/66/596811266.db2.gz LIBHCCFMBRJZIZ-AAEUAGOBSA-N 2 2 340.349 1.572 20 0 EDADLP Cc1ccc2nc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc(=O)n2c1 ZINC000872147794 596811268 /nfs/dbraw/zinc/81/12/68/596811268.db2.gz LIBHCCFMBRJZIZ-AAEUAGOBSA-N 2 2 340.349 1.572 20 0 EDADLP Cc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148769 596811860 /nfs/dbraw/zinc/81/18/60/596811860.db2.gz RDEZXIXMCIIGEF-HUUCEWRRSA-N 2 2 343.393 1.723 20 0 EDADLP Cc1ccccc1CCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148769 596811863 /nfs/dbraw/zinc/81/18/63/596811863.db2.gz RDEZXIXMCIIGEF-HUUCEWRRSA-N 2 2 343.393 1.723 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)[C@@H]1C ZINC000872149063 596812805 /nfs/dbraw/zinc/81/28/05/596812805.db2.gz SWDBARZNZCTLON-RGDJUOJXSA-N 2 2 335.414 1.996 20 0 EDADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)[C@@H]1C ZINC000872149063 596812808 /nfs/dbraw/zinc/81/28/08/596812808.db2.gz SWDBARZNZCTLON-RGDJUOJXSA-N 2 2 335.414 1.996 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150361 596813509 /nfs/dbraw/zinc/81/35/09/596813509.db2.gz QHATYMJAEFCOMR-OSMZGAPFSA-N 2 2 347.356 1.899 20 0 EDADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872150361 596813510 /nfs/dbraw/zinc/81/35/10/596813510.db2.gz QHATYMJAEFCOMR-OSMZGAPFSA-N 2 2 347.356 1.899 20 0 EDADLP CCCN(CC[NH+]1CCCCCC1)C(=O)/C=C\C[NH+]1CCOCC1 ZINC000868396572 596820373 /nfs/dbraw/zinc/82/03/73/596820373.db2.gz MFAFKFMDSKBVMC-FPLPWBNLSA-N 2 2 337.508 1.989 20 0 EDADLP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000872193500 596829478 /nfs/dbraw/zinc/82/94/78/596829478.db2.gz YKQAVOGAWRSEKR-OAHLLOKOSA-N 2 2 349.479 1.104 20 0 EDADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C)c2[nH+]cccc2C1 ZINC000872315338 596878732 /nfs/dbraw/zinc/87/87/32/596878732.db2.gz YTKNZTKWXHNARS-MRXNPFEDSA-N 2 2 326.400 1.569 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000864407531 596885658 /nfs/dbraw/zinc/88/56/58/596885658.db2.gz HOEJHOBSBNXZRU-UHFFFAOYSA-N 2 2 325.416 1.411 20 0 EDADLP O=C(C[NH+]1CCCC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000874242520 596982864 /nfs/dbraw/zinc/98/28/64/596982864.db2.gz SVHKTSKXZLBPKK-UHFFFAOYSA-N 2 2 347.459 1.110 20 0 EDADLP CCC1(CC)CN(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)C(=O)O1 ZINC000872732634 597050718 /nfs/dbraw/zinc/05/07/18/597050718.db2.gz YIEPSLZDDWDCBJ-UHFFFAOYSA-N 2 2 338.496 1.667 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876109634 597093945 /nfs/dbraw/zinc/09/39/45/597093945.db2.gz RGJAHIDEQSVQFX-KLHKWILBSA-N 2 2 340.512 1.611 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCC[NH+]3CCC3)C2)cc1 ZINC000876198540 597130791 /nfs/dbraw/zinc/13/07/91/597130791.db2.gz NWBLVZGSSJMEOU-SFHVURJKSA-N 2 2 346.475 1.201 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NCC[NH+]3CCC3)C2)cc1 ZINC000876198540 597130793 /nfs/dbraw/zinc/13/07/93/597130793.db2.gz NWBLVZGSSJMEOU-SFHVURJKSA-N 2 2 346.475 1.201 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876207172 597136728 /nfs/dbraw/zinc/13/67/28/597136728.db2.gz BPYVGUQFNFEPAL-KRWDZBQOSA-N 2 2 334.464 1.393 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876207172 597136730 /nfs/dbraw/zinc/13/67/30/597136730.db2.gz BPYVGUQFNFEPAL-KRWDZBQOSA-N 2 2 334.464 1.393 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000876448827 597208673 /nfs/dbraw/zinc/20/86/73/597208673.db2.gz VCZPUAYOCHQTPF-QGZVFWFLSA-N 2 2 325.497 1.534 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000876448827 597208675 /nfs/dbraw/zinc/20/86/75/597208675.db2.gz VCZPUAYOCHQTPF-QGZVFWFLSA-N 2 2 325.497 1.534 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000874988803 597233118 /nfs/dbraw/zinc/23/31/18/597233118.db2.gz FHFHUBHIZGYEMO-QZTJIDSGSA-N 2 2 348.491 1.699 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000874988803 597233119 /nfs/dbraw/zinc/23/31/19/597233119.db2.gz FHFHUBHIZGYEMO-QZTJIDSGSA-N 2 2 348.491 1.699 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@@H](Cc2cccnc2)C2CCCC2)[C@H](C[NH3+])C1 ZINC000876541868 597233413 /nfs/dbraw/zinc/23/34/13/597233413.db2.gz IDMXUXLRZRDKRB-MSOLQXFVSA-N 2 2 330.476 1.532 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@@H](Cc2cccnc2)C2CCCC2)[C@H](C[NH3+])C1 ZINC000876541868 597233414 /nfs/dbraw/zinc/23/34/14/597233414.db2.gz IDMXUXLRZRDKRB-MSOLQXFVSA-N 2 2 330.476 1.532 20 0 EDADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000876542704 597234325 /nfs/dbraw/zinc/23/43/25/597234325.db2.gz RYYVUPMPFCLBTF-YBJDMEARSA-N 2 2 327.350 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)/C=C/c2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000876542704 597234328 /nfs/dbraw/zinc/23/43/28/597234328.db2.gz RYYVUPMPFCLBTF-YBJDMEARSA-N 2 2 327.350 1.820 20 0 EDADLP C[N@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCC1(C)C ZINC000874996039 597236381 /nfs/dbraw/zinc/23/63/81/597236381.db2.gz CQMLTRDJKJTQHZ-UHFFFAOYSA-N 2 2 326.485 1.223 20 0 EDADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000876709199 597296860 /nfs/dbraw/zinc/29/68/60/597296860.db2.gz LZFOBLWULJLQCN-HMDTVDTHSA-N 2 2 329.444 1.869 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOC[C@H]2CC)C1 ZINC000875142213 597300671 /nfs/dbraw/zinc/30/06/71/597300671.db2.gz GVXCHEJVPHJENL-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOC[C@H]2CC)C1 ZINC000875142213 597300677 /nfs/dbraw/zinc/30/06/77/597300677.db2.gz GVXCHEJVPHJENL-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@@H+]2CCOC[C@H]2CC)C1 ZINC000875142213 597300681 /nfs/dbraw/zinc/30/06/81/597300681.db2.gz GVXCHEJVPHJENL-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP CCC[NH+]1CC[C@H](CNC(=O)NCC[N@H+]2CCOC[C@H]2CC)C1 ZINC000875142213 597300686 /nfs/dbraw/zinc/30/06/86/597300686.db2.gz GVXCHEJVPHJENL-HZPDHXFCSA-N 2 2 326.485 1.128 20 0 EDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC[NH2+]CC2CC2)CC1 ZINC000876718411 597303706 /nfs/dbraw/zinc/30/37/06/597303706.db2.gz SMGBYSNMRGCWSX-UHFFFAOYSA-N 2 2 344.459 1.402 20 0 EDADLP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCCNc1cccc[nH+]1 ZINC000876727596 597308000 /nfs/dbraw/zinc/30/80/00/597308000.db2.gz OSGORPHFIHTPMU-HNNXBMFYSA-N 2 2 342.447 1.743 20 0 EDADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000876730642 597310423 /nfs/dbraw/zinc/31/04/23/597310423.db2.gz INOHWTWSJSKTRO-KRWDZBQOSA-N 2 2 343.475 1.582 20 0 EDADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000876730642 597310427 /nfs/dbraw/zinc/31/04/27/597310427.db2.gz INOHWTWSJSKTRO-KRWDZBQOSA-N 2 2 343.475 1.582 20 0 EDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000875165922 597310862 /nfs/dbraw/zinc/31/08/62/597310862.db2.gz AKOWLAQJRGTBSL-WMLDXEAASA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[NH+]1C ZINC000875165922 597310867 /nfs/dbraw/zinc/31/08/67/597310867.db2.gz AKOWLAQJRGTBSL-WMLDXEAASA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000875165922 597310872 /nfs/dbraw/zinc/31/08/72/597310872.db2.gz AKOWLAQJRGTBSL-WMLDXEAASA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000875165922 597310877 /nfs/dbraw/zinc/31/08/77/597310877.db2.gz AKOWLAQJRGTBSL-WMLDXEAASA-N 2 2 346.475 1.136 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000875240698 597348151 /nfs/dbraw/zinc/34/81/51/597348151.db2.gz FIZUIDSHRPEWKO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH+](C)C1CCCC1 ZINC000875240698 597348153 /nfs/dbraw/zinc/34/81/53/597348153.db2.gz FIZUIDSHRPEWKO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000875240698 597348158 /nfs/dbraw/zinc/34/81/58/597348158.db2.gz FIZUIDSHRPEWKO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000875240698 597348160 /nfs/dbraw/zinc/34/81/60/597348160.db2.gz FIZUIDSHRPEWKO-OAHLLOKOSA-N 2 2 326.485 1.271 20 0 EDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000875362048 597399874 /nfs/dbraw/zinc/39/98/74/597399874.db2.gz WCTQZXWAVDJQQG-CABCVRRESA-N 2 2 328.501 1.373 20 0 EDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000875362048 597399878 /nfs/dbraw/zinc/39/98/78/597399878.db2.gz WCTQZXWAVDJQQG-CABCVRRESA-N 2 2 328.501 1.373 20 0 EDADLP Cc1cc(NCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)nc(C(C)C)[nH+]1 ZINC000877027865 597416163 /nfs/dbraw/zinc/41/61/63/597416163.db2.gz RUGHMYRPVHWGFJ-JQWIXIFHSA-N 2 2 327.379 1.277 20 0 EDADLP CCC(O)(CC)C(C)(C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000875428728 597425167 /nfs/dbraw/zinc/42/51/67/597425167.db2.gz RMHMSOXZJVIDNH-UHFFFAOYSA-N 2 2 342.528 1.641 20 0 EDADLP COCCC1(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC[NH2+]CC1 ZINC000877268776 597484164 /nfs/dbraw/zinc/48/41/64/597484164.db2.gz RJECGLAWPLOZNN-LBPRGKRZSA-N 2 2 348.369 1.652 20 0 EDADLP O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cccc(C[NH+]2CCOCC2)c1 ZINC000877389354 597507589 /nfs/dbraw/zinc/50/75/89/597507589.db2.gz BRUZNZCQWXDTOU-IEBWSBKVSA-N 2 2 329.444 1.533 20 0 EDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000877432057 597514678 /nfs/dbraw/zinc/51/46/78/597514678.db2.gz AKXLFWFOMZBSKK-ZWKOTPCHSA-N 2 2 345.487 1.906 20 0 EDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000877432057 597514679 /nfs/dbraw/zinc/51/46/79/597514679.db2.gz AKXLFWFOMZBSKK-ZWKOTPCHSA-N 2 2 345.487 1.906 20 0 EDADLP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590789 597647726 /nfs/dbraw/zinc/64/77/26/597647726.db2.gz DUUWCWHFYQJSET-QGZVFWFLSA-N 2 2 344.503 1.403 20 0 EDADLP C[NH+]1CCN(C2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 ZINC000879592857 597649323 /nfs/dbraw/zinc/64/93/23/597649323.db2.gz QTPPZILTLVASGQ-IBGZPJMESA-N 2 2 342.487 1.504 20 0 EDADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000878668387 597673687 /nfs/dbraw/zinc/67/36/87/597673687.db2.gz UNZKAJJOUSOISB-ROUUACIJSA-N 2 2 336.476 1.296 20 0 EDADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000878670248 597674369 /nfs/dbraw/zinc/67/43/69/597674369.db2.gz JEKNSIOCDXCGOF-KRWDZBQOSA-N 2 2 340.508 1.645 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)n1 ZINC000878808005 597718690 /nfs/dbraw/zinc/71/86/90/597718690.db2.gz KKHAMEZTEIAPGU-MRXNPFEDSA-N 2 2 342.447 1.753 20 0 EDADLP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000878808005 597718691 /nfs/dbraw/zinc/71/86/91/597718691.db2.gz KKHAMEZTEIAPGU-MRXNPFEDSA-N 2 2 342.447 1.753 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880147035 597856504 /nfs/dbraw/zinc/85/65/04/597856504.db2.gz QEAXRMDHJPPCKR-HZPDHXFCSA-N 2 2 346.475 1.212 20 0 EDADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880147035 597856507 /nfs/dbraw/zinc/85/65/07/597856507.db2.gz QEAXRMDHJPPCKR-HZPDHXFCSA-N 2 2 346.475 1.212 20 0 EDADLP CO[C@H]1C[C@H]2C[N@H+](CCCn3cc[nH+]c3)Cc3cccnc3N2C1 ZINC000879270529 597871722 /nfs/dbraw/zinc/87/17/22/597871722.db2.gz RBJOGBYXOABZRT-IRXDYDNUSA-N 2 2 327.432 1.778 20 0 EDADLP CO[C@H]1C[C@H]2C[N@@H+](CCCn3cc[nH+]c3)Cc3cccnc3N2C1 ZINC000879270529 597871723 /nfs/dbraw/zinc/87/17/23/597871723.db2.gz RBJOGBYXOABZRT-IRXDYDNUSA-N 2 2 327.432 1.778 20 0 EDADLP COc1nn(C)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000883962144 597956643 /nfs/dbraw/zinc/95/66/43/597956643.db2.gz COKGUZMPJDZVKA-UHFFFAOYSA-N 2 2 349.479 1.109 20 0 EDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000882500094 597979153 /nfs/dbraw/zinc/97/91/53/597979153.db2.gz MRWHYINQLMLGQV-MRXNPFEDSA-N 2 2 340.493 1.600 20 0 EDADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884180627 598017519 /nfs/dbraw/zinc/01/75/19/598017519.db2.gz FOIHGIOOMUZEBA-QGZVFWFLSA-N 2 2 331.460 1.775 20 0 EDADLP C[NH+](C)C1(CS(=O)(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000882837576 598074406 /nfs/dbraw/zinc/07/44/06/598074406.db2.gz KVYQREVWSLQTRM-MRXNPFEDSA-N 2 2 348.472 1.638 20 0 EDADLP [NH3+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2Nc2ccccc2)CCCO1 ZINC000884341623 598075795 /nfs/dbraw/zinc/07/57/95/598075795.db2.gz BWJPKTBPSCQKIT-OAHLLOKOSA-N 2 2 326.400 1.437 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000882873278 598090636 /nfs/dbraw/zinc/09/06/36/598090636.db2.gz WLIKJXJBPWLBNZ-SJLPKXTDSA-N 2 2 342.443 1.709 20 0 EDADLP CC1([NH+]2CCC2)CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000882964862 598119385 /nfs/dbraw/zinc/11/93/85/598119385.db2.gz QBUORZIKKPOXBJ-INIZCTEOSA-N 2 2 345.491 1.750 20 0 EDADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000914337488 695369482 /nfs/dbraw/zinc/36/94/82/695369482.db2.gz NOJDDMXEJACCDN-CYBMUJFWSA-N 2 2 339.509 1.736 20 0 EDADLP CCC[N@H+]1CC[C@H](CNC(=O)NCc2nc(C[NH+](C)C)cs2)C1 ZINC000914337488 695369484 /nfs/dbraw/zinc/36/94/84/695369484.db2.gz NOJDDMXEJACCDN-CYBMUJFWSA-N 2 2 339.509 1.736 20 0 EDADLP COc1cc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)ccc1C ZINC000939857432 699996421 /nfs/dbraw/zinc/99/64/21/699996421.db2.gz SROIHJXCVIVSER-WBVHZDCISA-N 2 2 342.443 1.837 20 0 EDADLP Cc1conc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992840794 695398469 /nfs/dbraw/zinc/39/84/69/695398469.db2.gz XBKIKSOXEILCNM-NUEKZKHPSA-N 2 2 343.431 1.666 20 0 EDADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@@H]32)o1 ZINC000992928022 695458580 /nfs/dbraw/zinc/45/85/80/695458580.db2.gz ZGANGXKRKAXLTG-BHYGNILZSA-N 2 2 343.431 1.596 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc[nH+]1 ZINC001060487329 695525095 /nfs/dbraw/zinc/52/50/95/695525095.db2.gz RTEJUQBPEWQQFE-LFRCEIEQSA-N 2 2 341.459 1.353 20 0 EDADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc[nH+]1 ZINC001060487329 695525096 /nfs/dbraw/zinc/52/50/96/695525096.db2.gz RTEJUQBPEWQQFE-LFRCEIEQSA-N 2 2 341.459 1.353 20 0 EDADLP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CCOc3ccccc3)C2)CC1 ZINC001031188531 695707227 /nfs/dbraw/zinc/70/72/27/695707227.db2.gz QMIHCBSKUWROST-UHFFFAOYSA-N 2 2 345.487 1.986 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1=O ZINC000915492364 695932403 /nfs/dbraw/zinc/93/24/03/695932403.db2.gz DBAPYFKNXDRQJT-CQSZACIVSA-N 2 2 336.480 1.166 20 0 EDADLP O=C(NC1C[NH+](Cc2cccc3c2CCOC3)C1)C12CC[NH+](CC1)C2 ZINC001031266468 696079429 /nfs/dbraw/zinc/07/94/29/696079429.db2.gz SVFXAZNOYHWPTD-UHFFFAOYSA-N 2 2 341.455 1.156 20 0 EDADLP Cc1cccnc1C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994214008 696585451 /nfs/dbraw/zinc/58/54/51/696585451.db2.gz VBGYQUVRURGKRV-RDJZCZTQSA-N 2 2 341.459 1.835 20 0 EDADLP Cc1cccnc1C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994214008 696585452 /nfs/dbraw/zinc/58/54/52/696585452.db2.gz VBGYQUVRURGKRV-RDJZCZTQSA-N 2 2 341.459 1.835 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCC1CCOCC1 ZINC000994233069 696593324 /nfs/dbraw/zinc/59/33/24/696593324.db2.gz RECTWJCRYLWZTK-CRAIPNDOSA-N 2 2 348.491 1.748 20 0 EDADLP C[C@@H]1[C@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCC1CCOCC1 ZINC000994233069 696593325 /nfs/dbraw/zinc/59/33/25/696593325.db2.gz RECTWJCRYLWZTK-CRAIPNDOSA-N 2 2 348.491 1.748 20 0 EDADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001031391958 697019956 /nfs/dbraw/zinc/01/99/56/697019956.db2.gz PJMCZHABNJGOKE-CYBMUJFWSA-N 2 2 326.391 1.817 20 0 EDADLP Cc1cccc(C[N@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)c1 ZINC000917487322 697028290 /nfs/dbraw/zinc/02/82/90/697028290.db2.gz XQVYCMOZOZHBLF-UHFFFAOYSA-N 2 2 330.432 1.401 20 0 EDADLP Cc1cccc(C[N@@H+](C)CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)c1 ZINC000917487322 697028293 /nfs/dbraw/zinc/02/82/93/697028293.db2.gz XQVYCMOZOZHBLF-UHFFFAOYSA-N 2 2 330.432 1.401 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031439892 697108372 /nfs/dbraw/zinc/10/83/72/697108372.db2.gz KVLKWBXHGVFRHH-ROUUACIJSA-N 2 2 337.508 1.602 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031439892 697108375 /nfs/dbraw/zinc/10/83/75/697108375.db2.gz KVLKWBXHGVFRHH-ROUUACIJSA-N 2 2 337.508 1.602 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3C(F)(F)F)C2)CC1 ZINC000918904726 697222229 /nfs/dbraw/zinc/22/22/29/697222229.db2.gz BDCYIGHGOHVEMS-SGMGOOAPSA-N 2 2 348.413 1.653 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3C(F)(F)F)C2)CC1 ZINC000918904726 697222231 /nfs/dbraw/zinc/22/22/31/697222231.db2.gz BDCYIGHGOHVEMS-SGMGOOAPSA-N 2 2 348.413 1.653 20 0 EDADLP CC[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000919127187 697246820 /nfs/dbraw/zinc/24/68/20/697246820.db2.gz OOIFHVPYMDAFAV-HZPDHXFCSA-N 2 2 326.485 1.079 20 0 EDADLP CC[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000919127187 697246822 /nfs/dbraw/zinc/24/68/22/697246822.db2.gz OOIFHVPYMDAFAV-HZPDHXFCSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)C1 ZINC000919127187 697246824 /nfs/dbraw/zinc/24/68/24/697246824.db2.gz OOIFHVPYMDAFAV-HZPDHXFCSA-N 2 2 326.485 1.079 20 0 EDADLP CC[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C1 ZINC000919127187 697246826 /nfs/dbraw/zinc/24/68/26/697246826.db2.gz OOIFHVPYMDAFAV-HZPDHXFCSA-N 2 2 326.485 1.079 20 0 EDADLP Cc1cccc(NCCNC(=O)NC[C@H](C)C[NH+]2CCOCC2)[nH+]1 ZINC000919726445 697324034 /nfs/dbraw/zinc/32/40/34/697324034.db2.gz KQSVOEMKMINDNK-AWEZNQCLSA-N 2 2 335.452 1.069 20 0 EDADLP C[NH+]1CCC(NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000920308070 697419284 /nfs/dbraw/zinc/41/92/84/697419284.db2.gz ZKERRMGQFLXZIC-UHFFFAOYSA-N 2 2 348.516 1.899 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)ncn1 ZINC001031665696 697446211 /nfs/dbraw/zinc/44/62/11/697446211.db2.gz DXJGBEFSNNTHJY-QGZVFWFLSA-N 2 2 331.464 1.206 20 0 EDADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)ncn1 ZINC001031665696 697446213 /nfs/dbraw/zinc/44/62/13/697446213.db2.gz DXJGBEFSNNTHJY-QGZVFWFLSA-N 2 2 331.464 1.206 20 0 EDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001031667042 697448173 /nfs/dbraw/zinc/44/81/73/697448173.db2.gz WJWDGDKUWLZPCX-WMLDXEAASA-N 2 2 331.464 1.458 20 0 EDADLP O=C(NCC1C[NH+](Cc2cc(C3CC3)no2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675111 697484632 /nfs/dbraw/zinc/48/46/32/697484632.db2.gz VSQGEKFQRGMAHV-QGZVFWFLSA-N 2 2 344.459 1.442 20 0 EDADLP C[C@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001031679528 697496847 /nfs/dbraw/zinc/49/68/47/697496847.db2.gz WAFZELMIMIVZCJ-HLLBOEOZSA-N 2 2 348.466 1.950 20 0 EDADLP FCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cn1 ZINC000921496040 697626812 /nfs/dbraw/zinc/62/68/12/697626812.db2.gz MDHIDCYRGMWUIC-UHFFFAOYSA-N 2 2 332.423 1.975 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(OC)no2)C1 ZINC001031715598 697740841 /nfs/dbraw/zinc/74/08/41/697740841.db2.gz WWMDGWMANIQDEU-HNNXBMFYSA-N 2 2 336.436 1.106 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(OC)no2)C1 ZINC001031715598 697740844 /nfs/dbraw/zinc/74/08/44/697740844.db2.gz WWMDGWMANIQDEU-HNNXBMFYSA-N 2 2 336.436 1.106 20 0 EDADLP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)ncn1 ZINC000940082908 700177031 /nfs/dbraw/zinc/17/70/31/700177031.db2.gz CJJOXXCQVIHNCG-UHFFFAOYSA-N 2 2 342.447 1.612 20 0 EDADLP C[C@H]1C[N@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178833 697875786 /nfs/dbraw/zinc/87/57/86/697875786.db2.gz VTOZWQGSYMNHSJ-SWLSCSKDSA-N 2 2 333.461 1.478 20 0 EDADLP C[C@H]1C[N@@H+](CCc2ccns2)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178833 697875793 /nfs/dbraw/zinc/87/57/93/697875793.db2.gz VTOZWQGSYMNHSJ-SWLSCSKDSA-N 2 2 333.461 1.478 20 0 EDADLP C[C@H]1C[N@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178796 697876192 /nfs/dbraw/zinc/87/61/92/697876192.db2.gz VOBFSENGONWQPP-YOEHRIQHSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@H]1C[N@@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943178796 697876195 /nfs/dbraw/zinc/87/61/95/697876195.db2.gz VOBFSENGONWQPP-YOEHRIQHSA-N 2 2 334.464 1.596 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccon2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943285415 698043212 /nfs/dbraw/zinc/04/32/12/698043212.db2.gz ADHBWGGSUVMBMY-WMLDXEAASA-N 2 2 334.464 1.733 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccon2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943285415 698043217 /nfs/dbraw/zinc/04/32/17/698043217.db2.gz ADHBWGGSUVMBMY-WMLDXEAASA-N 2 2 334.464 1.733 20 0 EDADLP Cc1nn(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001031730290 698067623 /nfs/dbraw/zinc/06/76/23/698067623.db2.gz JTQIUGLCOVABDH-INIZCTEOSA-N 2 2 342.447 1.051 20 0 EDADLP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001031731506 698112521 /nfs/dbraw/zinc/11/25/21/698112521.db2.gz AXKHBLXXCADTFJ-HNNXBMFYSA-N 2 2 345.472 1.508 20 0 EDADLP CO[C@@H](C)C[NH+]1CC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001032098016 698722549 /nfs/dbraw/zinc/72/25/49/698722549.db2.gz FGEMRKIUWXGZGY-AWEZNQCLSA-N 2 2 328.416 1.569 20 0 EDADLP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943755703 698829464 /nfs/dbraw/zinc/82/94/64/698829464.db2.gz HMMJUFIWVAAVLG-GOEBONIOSA-N 2 2 327.432 1.682 20 0 EDADLP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943755703 698829469 /nfs/dbraw/zinc/82/94/69/698829469.db2.gz HMMJUFIWVAAVLG-GOEBONIOSA-N 2 2 327.432 1.682 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ncccn3)C[C@H]2C)CC1 ZINC000943756336 698831182 /nfs/dbraw/zinc/83/11/82/698831182.db2.gz OMXPAOWNHYSQCO-SJORKVTESA-N 2 2 345.491 1.535 20 0 EDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ncccn3)C[C@H]2C)CC1 ZINC000943756336 698831186 /nfs/dbraw/zinc/83/11/86/698831186.db2.gz OMXPAOWNHYSQCO-SJORKVTESA-N 2 2 345.491 1.535 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)cn1 ZINC001031765945 699060659 /nfs/dbraw/zinc/06/06/59/699060659.db2.gz VYBRQLUUAUSWHX-ROUUACIJSA-N 2 2 343.475 1.350 20 0 EDADLP Cc1cnc(C[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)cn1 ZINC001031765945 699060663 /nfs/dbraw/zinc/06/06/63/699060663.db2.gz VYBRQLUUAUSWHX-ROUUACIJSA-N 2 2 343.475 1.350 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031767248 699070761 /nfs/dbraw/zinc/07/07/61/699070761.db2.gz UQXDVMKBSVSTSL-ZBFHGGJFSA-N 2 2 334.489 1.708 20 0 EDADLP O=C(NCC1C[NH+](Cc2cncs2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031767248 699070764 /nfs/dbraw/zinc/07/07/64/699070764.db2.gz UQXDVMKBSVSTSL-ZBFHGGJFSA-N 2 2 334.489 1.708 20 0 EDADLP CC(C)(C)CC[NH+]1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000941509353 701563966 /nfs/dbraw/zinc/56/39/66/701563966.db2.gz FVPAEXJPJXRWTM-UHFFFAOYSA-N 2 2 347.507 1.538 20 0 EDADLP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC000995157563 701564731 /nfs/dbraw/zinc/56/47/31/701564731.db2.gz ZIOAFPYWKRZCIP-STQMWFEESA-N 2 2 333.461 1.792 20 0 EDADLP Cc1nccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995159383 701572078 /nfs/dbraw/zinc/57/20/78/701572078.db2.gz ISUAJPIQGILJNB-GJZGRUSLSA-N 2 2 342.447 1.136 20 0 EDADLP O=C(NCC1C[NH+](CCc2cccs2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031783884 699212178 /nfs/dbraw/zinc/21/21/78/699212178.db2.gz ILANACUXFSFLID-OAHLLOKOSA-N 2 2 344.484 1.798 20 0 EDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000939209982 699356661 /nfs/dbraw/zinc/35/66/61/699356661.db2.gz KIAOWLNSRSBWEZ-YVEFUNNKSA-N 2 2 346.406 1.220 20 0 EDADLP CCCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)o1 ZINC000939217043 699389621 /nfs/dbraw/zinc/38/96/21/699389621.db2.gz ZSEJJCCDXLFELX-WFASDCNBSA-N 2 2 345.447 1.838 20 0 EDADLP C[C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@@H]1[NH2+]CC1CCC1 ZINC000939236318 699404951 /nfs/dbraw/zinc/40/49/51/699404951.db2.gz OQXAGGZYQYDCEK-WMZOPIPTSA-N 2 2 349.519 1.868 20 0 EDADLP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cnsn1 ZINC000939258196 699435681 /nfs/dbraw/zinc/43/56/81/699435681.db2.gz QDJPDSDVYKFDSK-DOMZBBRYSA-N 2 2 337.493 1.207 20 0 EDADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)o1 ZINC000939394112 699544476 /nfs/dbraw/zinc/54/44/76/699544476.db2.gz AYUUZOJCRLGFER-DZGCQCFKSA-N 2 2 335.452 1.046 20 0 EDADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939533711 699671694 /nfs/dbraw/zinc/67/16/94/699671694.db2.gz DRWSGCPFCUHXKM-OCCSQVGLSA-N 2 2 330.436 1.058 20 0 EDADLP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939535862 699676900 /nfs/dbraw/zinc/67/69/00/699676900.db2.gz SDZGYPYWRHNGNF-MLGOLLRUSA-N 2 2 345.447 1.458 20 0 EDADLP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939536575 699677630 /nfs/dbraw/zinc/67/76/30/699677630.db2.gz WWABVVHRZBQNOG-SWLSCSKDSA-N 2 2 347.488 1.407 20 0 EDADLP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C)n1 ZINC000939536815 699677947 /nfs/dbraw/zinc/67/79/47/699677947.db2.gz XFNIDTFIFVZKKA-YOEHRIQHSA-N 2 2 344.463 1.377 20 0 EDADLP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C)o1 ZINC000939539405 699680044 /nfs/dbraw/zinc/68/00/44/699680044.db2.gz CJOUMWXHTQWNDD-FZMZJTMJSA-N 2 2 345.447 1.929 20 0 EDADLP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C)n1 ZINC000939622035 699758877 /nfs/dbraw/zinc/75/88/77/699758877.db2.gz HVVKTLODCWUKNC-BLLLJJGKSA-N 2 2 330.436 1.114 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2ccnc(Cl)c2)[C@@H](C)C1 ZINC000939622921 699760397 /nfs/dbraw/zinc/76/03/97/699760397.db2.gz PPSFZMVBCWCDOS-NHYWBVRUSA-N 2 2 347.850 1.946 20 0 EDADLP Cc1oncc1C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000939641492 699770817 /nfs/dbraw/zinc/77/08/17/699770817.db2.gz DWJULGUAWWCKRV-LRDDRELGSA-N 2 2 331.420 1.286 20 0 EDADLP CC(C)Cc1noc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC000939757060 699923961 /nfs/dbraw/zinc/92/39/61/699923961.db2.gz XCRLSQKOWJIIAL-HUUCEWRRSA-N 2 2 349.479 1.300 20 0 EDADLP C[C@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031876339 700406466 /nfs/dbraw/zinc/40/64/66/700406466.db2.gz SOTLYHZUGAEFTK-YOEHRIQHSA-N 2 2 341.471 1.283 20 0 EDADLP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)[nH]1 ZINC000940358547 700540054 /nfs/dbraw/zinc/54/00/54/700540054.db2.gz VHERDSOOAGNFPX-CYBMUJFWSA-N 2 2 345.451 1.432 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000182363661 700715001 /nfs/dbraw/zinc/71/50/01/700715001.db2.gz DKSGZVYNEAYALH-ZIAGYGMSSA-N 2 2 335.448 1.604 20 0 EDADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995170052 701670460 /nfs/dbraw/zinc/67/04/60/701670460.db2.gz SLUWTZHWEGWMNS-GOEBONIOSA-N 2 2 344.463 1.079 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)OC)CC1(C)C ZINC000940831427 700931027 /nfs/dbraw/zinc/93/10/27/700931027.db2.gz MUBCXFNQHQGAGW-RHSMWYFYSA-N 2 2 349.475 1.884 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)OC)CC1(C)C ZINC000940831427 700931029 /nfs/dbraw/zinc/93/10/29/700931029.db2.gz MUBCXFNQHQGAGW-RHSMWYFYSA-N 2 2 349.475 1.884 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837375 700934982 /nfs/dbraw/zinc/93/49/82/700934982.db2.gz SSIIUMGVZRCHCC-HNNXBMFYSA-N 2 2 336.480 1.790 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837375 700934983 /nfs/dbraw/zinc/93/49/83/700934983.db2.gz SSIIUMGVZRCHCC-HNNXBMFYSA-N 2 2 336.480 1.790 20 0 EDADLP CCn1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC000995105683 700939581 /nfs/dbraw/zinc/93/95/81/700939581.db2.gz GYPQMUNTGXVZGW-KGLIPLIRSA-N 2 2 330.436 1.243 20 0 EDADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850705 700951689 /nfs/dbraw/zinc/95/16/89/700951689.db2.gz LNWIRVNANIPZGI-CABCVRRESA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850705 700951690 /nfs/dbraw/zinc/95/16/90/700951690.db2.gz LNWIRVNANIPZGI-CABCVRRESA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850972 700952157 /nfs/dbraw/zinc/95/21/57/700952157.db2.gz QZOPOHTVBFDNMD-LSDHHAIUSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850972 700952159 /nfs/dbraw/zinc/95/21/59/700952159.db2.gz QZOPOHTVBFDNMD-LSDHHAIUSA-N 2 2 334.464 1.309 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853057 700953095 /nfs/dbraw/zinc/95/30/95/700953095.db2.gz KJCJMFSWXBTQHK-OAHLLOKOSA-N 2 2 338.452 1.213 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853057 700953097 /nfs/dbraw/zinc/95/30/97/700953097.db2.gz KJCJMFSWXBTQHK-OAHLLOKOSA-N 2 2 338.452 1.213 20 0 EDADLP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886190 700964011 /nfs/dbraw/zinc/96/40/11/700964011.db2.gz LNJIWEINVIOXRQ-DZGCQCFKSA-N 2 2 330.432 1.545 20 0 EDADLP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000940886190 700964012 /nfs/dbraw/zinc/96/40/12/700964012.db2.gz LNJIWEINVIOXRQ-DZGCQCFKSA-N 2 2 330.432 1.545 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941027561 701067211 /nfs/dbraw/zinc/06/72/11/701067211.db2.gz VYTFZPNWUBLYTJ-DZGCQCFKSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cnon3)CC2(C)C)C1 ZINC000941027561 701067214 /nfs/dbraw/zinc/06/72/14/701067214.db2.gz VYTFZPNWUBLYTJ-DZGCQCFKSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941027561 701067216 /nfs/dbraw/zinc/06/72/16/701067216.db2.gz VYTFZPNWUBLYTJ-DZGCQCFKSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)CC2(C)C)C1 ZINC000941027561 701067218 /nfs/dbraw/zinc/06/72/18/701067218.db2.gz VYTFZPNWUBLYTJ-DZGCQCFKSA-N 2 2 335.452 1.128 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cn1 ZINC000945807696 701198459 /nfs/dbraw/zinc/19/84/59/701198459.db2.gz KQYUDWAKMALQHF-CZUORRHYSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@H](C)C2)cn1 ZINC000945807696 701198463 /nfs/dbraw/zinc/19/84/63/701198463.db2.gz KQYUDWAKMALQHF-CZUORRHYSA-N 2 2 328.420 1.008 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)s1 ZINC000945808740 701200550 /nfs/dbraw/zinc/20/05/50/701200550.db2.gz PXPUSMLIYHBETH-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](C)C2)s1 ZINC000945808740 701200554 /nfs/dbraw/zinc/20/05/54/701200554.db2.gz PXPUSMLIYHBETH-SWLSCSKDSA-N 2 2 347.488 1.983 20 0 EDADLP CC1(C)C[N@H+](CCC[C@@H]2CCOC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129417 701206297 /nfs/dbraw/zinc/20/62/97/701206297.db2.gz GABHALCKFMCTBG-CVEARBPZSA-N 2 2 348.491 1.986 20 0 EDADLP CC1(C)C[N@@H+](CCC[C@@H]2CCOC2)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129417 701206300 /nfs/dbraw/zinc/20/63/00/701206300.db2.gz GABHALCKFMCTBG-CVEARBPZSA-N 2 2 348.491 1.986 20 0 EDADLP Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941167480 701378828 /nfs/dbraw/zinc/37/88/28/701378828.db2.gz VWSMMNMKKODUIJ-MRXNPFEDSA-N 2 2 344.463 1.113 20 0 EDADLP Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941167480 701378829 /nfs/dbraw/zinc/37/88/29/701378829.db2.gz VWSMMNMKKODUIJ-MRXNPFEDSA-N 2 2 344.463 1.113 20 0 EDADLP CC1(C)C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941253406 701431635 /nfs/dbraw/zinc/43/16/35/701431635.db2.gz XEHBVQHZWZKFCP-INIZCTEOSA-N 2 2 327.432 1.695 20 0 EDADLP CC1(C)C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941253406 701431637 /nfs/dbraw/zinc/43/16/37/701431637.db2.gz XEHBVQHZWZKFCP-INIZCTEOSA-N 2 2 327.432 1.695 20 0 EDADLP COCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001032651845 706605091 /nfs/dbraw/zinc/60/50/91/706605091.db2.gz GPFUTWIAOARSCQ-ROUUACIJSA-N 2 2 340.427 1.584 20 0 EDADLP COCc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001032651845 706605093 /nfs/dbraw/zinc/60/50/93/706605093.db2.gz GPFUTWIAOARSCQ-ROUUACIJSA-N 2 2 340.427 1.584 20 0 EDADLP CCc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC000995180707 701997044 /nfs/dbraw/zinc/99/70/44/701997044.db2.gz FVGQLFWQWHWVOW-KGLIPLIRSA-N 2 2 345.447 1.886 20 0 EDADLP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)o1 ZINC000944447069 702039104 /nfs/dbraw/zinc/03/91/04/702039104.db2.gz XENYTQGGTCIURI-ABAIWWIYSA-N 2 2 345.447 1.892 20 0 EDADLP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H](C)C2)o1 ZINC000944447069 702039112 /nfs/dbraw/zinc/03/91/12/702039112.db2.gz XENYTQGGTCIURI-ABAIWWIYSA-N 2 2 345.447 1.892 20 0 EDADLP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001032205596 702072094 /nfs/dbraw/zinc/07/20/94/702072094.db2.gz CMEIJEDVEIKBOJ-QGZVFWFLSA-N 2 2 334.464 1.659 20 0 EDADLP CCc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001032205596 702072101 /nfs/dbraw/zinc/07/21/01/702072101.db2.gz CMEIJEDVEIKBOJ-QGZVFWFLSA-N 2 2 334.464 1.659 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncn2C)C1 ZINC000995185389 702125141 /nfs/dbraw/zinc/12/51/41/702125141.db2.gz NVVIUKJEXXVTRN-ZIAGYGMSSA-N 2 2 330.436 1.069 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccnc(OC)c2)C1 ZINC001032206057 702126708 /nfs/dbraw/zinc/12/67/08/702126708.db2.gz QQRNIZIEWJXGCO-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccnc(OC)c2)C1 ZINC001032206057 702126710 /nfs/dbraw/zinc/12/67/10/702126710.db2.gz QQRNIZIEWJXGCO-KRWDZBQOSA-N 2 2 346.475 1.513 20 0 EDADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(Cl)c3F)C2)C1 ZINC001032182968 702152354 /nfs/dbraw/zinc/15/23/54/702152354.db2.gz XDPQKMYAQVBAHC-CQSZACIVSA-N 2 2 339.842 1.979 20 0 EDADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(Cl)c3F)C2)C1 ZINC001032182968 702152358 /nfs/dbraw/zinc/15/23/58/702152358.db2.gz XDPQKMYAQVBAHC-CQSZACIVSA-N 2 2 339.842 1.979 20 0 EDADLP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]Cc3csnn3)C(C)(C)C2)CCC1 ZINC000995900392 702206187 /nfs/dbraw/zinc/20/61/87/702206187.db2.gz XWOJYQJYZCEEQG-ZDUSSCGKSA-N 2 2 337.493 1.349 20 0 EDADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000995890446 702232056 /nfs/dbraw/zinc/23/20/56/702232056.db2.gz GLLFUKGKMPJRQP-INIZCTEOSA-N 2 2 327.432 1.764 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+][C@@H](C)c2ncccn2)C(C)(C)C1 ZINC000996045478 702439328 /nfs/dbraw/zinc/43/93/28/702439328.db2.gz XDNKLTBQDBWHDD-GJZGRUSLSA-N 2 2 342.447 1.569 20 0 EDADLP CC(C)[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996094790 702508481 /nfs/dbraw/zinc/50/84/81/702508481.db2.gz ZHXCCIGBOBMKOY-IRXDYDNUSA-N 2 2 337.508 1.722 20 0 EDADLP CC(C)[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996094790 702508484 /nfs/dbraw/zinc/50/84/84/702508484.db2.gz ZHXCCIGBOBMKOY-IRXDYDNUSA-N 2 2 337.508 1.722 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cnns1 ZINC000996104695 702523572 /nfs/dbraw/zinc/52/35/72/702523572.db2.gz FBNTWGDEHXQKMR-CYBMUJFWSA-N 2 2 334.449 1.152 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996077005 702525792 /nfs/dbraw/zinc/52/57/92/702525792.db2.gz XHBLVENCNPOBLP-OAHLLOKOSA-N 2 2 344.463 1.113 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)[nH+]1 ZINC000942070152 702528637 /nfs/dbraw/zinc/52/86/37/702528637.db2.gz ZESOBCGBWWLTLH-HZPDHXFCSA-N 2 2 344.459 1.289 20 0 EDADLP Cc1cc(C)c(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)[nH+]1 ZINC000942070152 702528644 /nfs/dbraw/zinc/52/86/44/702528644.db2.gz ZESOBCGBWWLTLH-HZPDHXFCSA-N 2 2 344.459 1.289 20 0 EDADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000996106145 702566740 /nfs/dbraw/zinc/56/67/40/702566740.db2.gz NEWNXNQUOIPIFX-HOTGVXAUSA-N 2 2 334.464 1.526 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996353840 702731861 /nfs/dbraw/zinc/73/18/61/702731861.db2.gz DAOZMRGYUFOVHH-AWEZNQCLSA-N 2 2 330.436 1.195 20 0 EDADLP Cc1cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)sn1 ZINC000996353699 702731886 /nfs/dbraw/zinc/73/18/86/702731886.db2.gz CIIDLBIGHDTSET-AWEZNQCLSA-N 2 2 333.461 1.744 20 0 EDADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000996355799 702733306 /nfs/dbraw/zinc/73/33/06/702733306.db2.gz NQLSVYOUAULKJO-QGZVFWFLSA-N 2 2 342.443 1.471 20 0 EDADLP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996355801 702733471 /nfs/dbraw/zinc/73/34/71/702733471.db2.gz NRPNHFQRVIYORS-INIZCTEOSA-N 2 2 327.432 1.682 20 0 EDADLP COc1nscc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996357230 702734706 /nfs/dbraw/zinc/73/47/06/702734706.db2.gz WEEAZQIPNLWYJC-ZDUSSCGKSA-N 2 2 349.460 1.444 20 0 EDADLP Cc1csc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)n1 ZINC000996357577 702734728 /nfs/dbraw/zinc/73/47/28/702734728.db2.gz YPLQPKCFVJNNID-CYBMUJFWSA-N 2 2 333.461 1.744 20 0 EDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1 ZINC000996569515 702881395 /nfs/dbraw/zinc/88/13/95/702881395.db2.gz RSNRDGZJFKSQJN-DLBZAZTESA-N 2 2 348.491 1.748 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996610316 702915375 /nfs/dbraw/zinc/91/53/75/702915375.db2.gz IFRDUDPFKKPVSI-KGLIPLIRSA-N 2 2 349.479 1.615 20 0 EDADLP Cc1noc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996610654 702915704 /nfs/dbraw/zinc/91/57/04/702915704.db2.gz JMFFIGUMBIBYMN-TZMCWYRMSA-N 2 2 335.452 1.361 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000995242659 702917726 /nfs/dbraw/zinc/91/77/26/702917726.db2.gz GZSHAADXSRFRNS-LSDHHAIUSA-N 2 2 342.447 1.101 20 0 EDADLP Cc1ncsc1C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996650104 702951904 /nfs/dbraw/zinc/95/19/04/702951904.db2.gz FWAWFKNWFQYLHV-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP Cc1ncsc1C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996650104 702951905 /nfs/dbraw/zinc/95/19/05/702951905.db2.gz FWAWFKNWFQYLHV-UHFFFAOYSA-N 2 2 333.461 1.888 20 0 EDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC000995250393 702964544 /nfs/dbraw/zinc/96/45/44/702964544.db2.gz OFCFIGCHMQAGRF-GXTWGEPZSA-N 2 2 326.391 1.803 20 0 EDADLP COc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)sn1 ZINC000995255283 703009016 /nfs/dbraw/zinc/00/90/16/703009016.db2.gz WRRUXSVWNVNVMV-STQMWFEESA-N 2 2 349.460 1.423 20 0 EDADLP Cc1ncc(C[NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)cn1 ZINC000996718315 703011934 /nfs/dbraw/zinc/01/19/34/703011934.db2.gz XOLDPUQZSQKNLU-HNNXBMFYSA-N 2 2 328.420 1.008 20 0 EDADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996716098 703014940 /nfs/dbraw/zinc/01/49/40/703014940.db2.gz KJIKTGIXOYYLNE-HNNXBMFYSA-N 2 2 347.459 1.640 20 0 EDADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996733352 703029748 /nfs/dbraw/zinc/02/97/48/703029748.db2.gz SPEFMPDHQPQYIL-HZPDHXFCSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996735321 703031931 /nfs/dbraw/zinc/03/19/31/703031931.db2.gz BJTBUTQAZXLDPY-JKSUJKDBSA-N 2 2 346.475 1.453 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996756830 703045628 /nfs/dbraw/zinc/04/56/28/703045628.db2.gz KJPQHTOBJRRELE-OAHLLOKOSA-N 2 2 339.443 1.621 20 0 EDADLP O=C(c1cccc2[nH+]ccn21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996801305 703087386 /nfs/dbraw/zinc/08/73/86/703087386.db2.gz UIPJAARZZQIBBR-UHFFFAOYSA-N 2 2 342.428 1.580 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)o1 ZINC000996858324 703142565 /nfs/dbraw/zinc/14/25/65/703142565.db2.gz GVPAOEWKDTYUMB-CYBMUJFWSA-N 2 2 346.435 1.560 20 0 EDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997083027 703321510 /nfs/dbraw/zinc/32/15/10/703321510.db2.gz GQGSVDKTDHYORX-PBHICJAKSA-N 2 2 348.491 1.984 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997083027 703321513 /nfs/dbraw/zinc/32/15/13/703321513.db2.gz GQGSVDKTDHYORX-PBHICJAKSA-N 2 2 348.491 1.984 20 0 EDADLP C[C@H]1C[N@H+](Cc2cnon2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821380 703329729 /nfs/dbraw/zinc/32/97/29/703329729.db2.gz DYGTUWDMZDIPRB-ZFWWWQNUSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[N@@H+](Cc2cnon2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821380 703329731 /nfs/dbraw/zinc/32/97/31/703329731.db2.gz DYGTUWDMZDIPRB-ZFWWWQNUSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[NH+](Cc2cnon2)CC[C@@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000942821380 703329732 /nfs/dbraw/zinc/32/97/32/703329732.db2.gz DYGTUWDMZDIPRB-ZFWWWQNUSA-N 2 2 335.452 1.128 20 0 EDADLP C[C@H]1C[NH+](Cc2cnon2)CC[C@@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000942821380 703329734 /nfs/dbraw/zinc/32/97/34/703329734.db2.gz DYGTUWDMZDIPRB-ZFWWWQNUSA-N 2 2 335.452 1.128 20 0 EDADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000997178103 703464702 /nfs/dbraw/zinc/46/47/02/703464702.db2.gz BZXHJEXQJBYYNP-GOSISDBHSA-N 2 2 348.491 1.484 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000997221018 703499238 /nfs/dbraw/zinc/49/92/38/703499238.db2.gz IINCKBKYUNALCO-CYBMUJFWSA-N 2 2 328.420 1.392 20 0 EDADLP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000997310806 703567725 /nfs/dbraw/zinc/56/77/25/703567725.db2.gz UZIUFNHOYREHIF-GFCCVEGCSA-N 2 2 346.435 1.479 20 0 EDADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccn2)C1 ZINC001032442943 703619164 /nfs/dbraw/zinc/61/91/64/703619164.db2.gz JQLFYRJQNNQOSS-WDSOQIARSA-N 2 2 342.487 1.845 20 0 EDADLP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccn2)C1 ZINC001032442943 703619166 /nfs/dbraw/zinc/61/91/66/703619166.db2.gz JQLFYRJQNNQOSS-WDSOQIARSA-N 2 2 342.487 1.845 20 0 EDADLP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccn2)C1 ZINC001032442943 703619167 /nfs/dbraw/zinc/61/91/67/703619167.db2.gz JQLFYRJQNNQOSS-WDSOQIARSA-N 2 2 342.487 1.845 20 0 EDADLP CC(C)C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccn2)C1 ZINC001032442943 703619169 /nfs/dbraw/zinc/61/91/69/703619169.db2.gz JQLFYRJQNNQOSS-WDSOQIARSA-N 2 2 342.487 1.845 20 0 EDADLP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO[C@@H]1CC1(F)F)C1CCC1 ZINC001032448220 703623459 /nfs/dbraw/zinc/62/34/59/703623459.db2.gz NSQXWPCIADFPAL-SOUVJXGZSA-N 2 2 343.418 1.180 20 0 EDADLP C[N@@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCO[C@@H]1CC1(F)F)C1CCC1 ZINC001032448220 703623460 /nfs/dbraw/zinc/62/34/60/703623460.db2.gz NSQXWPCIADFPAL-SOUVJXGZSA-N 2 2 343.418 1.180 20 0 EDADLP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO[C@@H]1CC1(F)F)C1CCC1 ZINC001032448220 703623461 /nfs/dbraw/zinc/62/34/61/703623461.db2.gz NSQXWPCIADFPAL-SOUVJXGZSA-N 2 2 343.418 1.180 20 0 EDADLP C[NH+](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO[C@@H]1CC1(F)F)C1CCC1 ZINC001032448220 703623462 /nfs/dbraw/zinc/62/34/62/703623462.db2.gz NSQXWPCIADFPAL-SOUVJXGZSA-N 2 2 343.418 1.180 20 0 EDADLP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000921585138 703627783 /nfs/dbraw/zinc/62/77/83/703627783.db2.gz BKJCGKZOOYLMGK-HOCLYGCPSA-N 2 2 336.432 1.173 20 0 EDADLP CC(C)(C)c1cnc(C[NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)o1 ZINC000997416342 703669032 /nfs/dbraw/zinc/66/90/32/703669032.db2.gz JXLYNVNDLCYHKL-UHFFFAOYSA-N 2 2 345.447 1.949 20 0 EDADLP Cc1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001032473084 703687848 /nfs/dbraw/zinc/68/78/48/703687848.db2.gz ANLJEWDFMFLCOD-XGXHKWSGSA-N 2 2 343.471 1.499 20 0 EDADLP Cc1ccccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001032473084 703687849 /nfs/dbraw/zinc/68/78/49/703687849.db2.gz ANLJEWDFMFLCOD-XGXHKWSGSA-N 2 2 343.471 1.499 20 0 EDADLP Cc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473084 703687850 /nfs/dbraw/zinc/68/78/50/703687850.db2.gz ANLJEWDFMFLCOD-XGXHKWSGSA-N 2 2 343.471 1.499 20 0 EDADLP Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473084 703687851 /nfs/dbraw/zinc/68/78/51/703687851.db2.gz ANLJEWDFMFLCOD-XGXHKWSGSA-N 2 2 343.471 1.499 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC1CCC1 ZINC001032486404 703744750 /nfs/dbraw/zinc/74/47/50/703744750.db2.gz ONYMXKKPBCIJIK-PVAVHDDUSA-N 2 2 344.459 1.300 20 0 EDADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC1CCC1 ZINC001032486404 703744751 /nfs/dbraw/zinc/74/47/51/703744751.db2.gz ONYMXKKPBCIJIK-PVAVHDDUSA-N 2 2 344.459 1.300 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997515929 703763705 /nfs/dbraw/zinc/76/37/05/703763705.db2.gz QIQAQANIDJOFFZ-DZGCQCFKSA-N 2 2 349.479 1.443 20 0 EDADLP CCc1nnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997515929 703763706 /nfs/dbraw/zinc/76/37/06/703763706.db2.gz QIQAQANIDJOFFZ-DZGCQCFKSA-N 2 2 349.479 1.443 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CCC(F)(F)F)C12CCC[NH+]1CCC2 ZINC001032498096 703795784 /nfs/dbraw/zinc/79/57/84/703795784.db2.gz HAODUHBPPNYRBL-STQMWFEESA-N 2 2 331.382 1.852 20 0 EDADLP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(F)(F)F)C12CCC[NH+]1CCC2 ZINC001032498096 703795785 /nfs/dbraw/zinc/79/57/85/703795785.db2.gz HAODUHBPPNYRBL-STQMWFEESA-N 2 2 331.382 1.852 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC001004204372 703943476 /nfs/dbraw/zinc/94/34/76/703943476.db2.gz SVHWFCUVGKUCNF-IYBDPMFKSA-N 2 2 347.507 1.856 20 0 EDADLP CCn1ccc(C[NH+]2CCC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC001004204372 703943478 /nfs/dbraw/zinc/94/34/78/703943478.db2.gz SVHWFCUVGKUCNF-IYBDPMFKSA-N 2 2 347.507 1.856 20 0 EDADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1)C2 ZINC000997648316 703963987 /nfs/dbraw/zinc/96/39/87/703963987.db2.gz HHPKTSYNHIUSKL-BBRMVZONSA-N 2 2 348.491 1.422 20 0 EDADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1)CC2 ZINC000997648316 703963990 /nfs/dbraw/zinc/96/39/90/703963990.db2.gz HHPKTSYNHIUSKL-BBRMVZONSA-N 2 2 348.491 1.422 20 0 EDADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCN1C ZINC000922554446 703977113 /nfs/dbraw/zinc/97/71/13/703977113.db2.gz DXPJCDUHGQVJTJ-VQIMIIECSA-N 2 2 333.476 1.580 20 0 EDADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001033079960 704143993 /nfs/dbraw/zinc/14/39/93/704143993.db2.gz AWWVWJHFNLRTOM-HZPDHXFCSA-N 2 2 348.516 1.826 20 0 EDADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001033079960 704143995 /nfs/dbraw/zinc/14/39/95/704143995.db2.gz AWWVWJHFNLRTOM-HZPDHXFCSA-N 2 2 348.516 1.826 20 0 EDADLP CCO[C@H](C[NH2+]Cc1c(C)n(C)n(-c2ccccc2)c1=O)C[NH+](C)C ZINC000922756951 704316526 /nfs/dbraw/zinc/31/65/26/704316526.db2.gz QRIROXXOBQEKNP-QGZVFWFLSA-N 2 2 346.475 1.541 20 0 EDADLP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C)C1CCC1 ZINC001032534969 704567424 /nfs/dbraw/zinc/56/74/24/704567424.db2.gz NEQSVVDOUBNLHC-YESZJQIVSA-N 2 2 346.475 1.453 20 0 EDADLP CO[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C)C1CCC1 ZINC001032534969 704567427 /nfs/dbraw/zinc/56/74/27/704567427.db2.gz NEQSVVDOUBNLHC-YESZJQIVSA-N 2 2 346.475 1.453 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCOC1 ZINC001032534935 704567597 /nfs/dbraw/zinc/56/75/97/704567597.db2.gz LVHMEDKDTOXKRY-JYJNAYRXSA-N 2 2 332.448 1.064 20 0 EDADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCOC1 ZINC001032534935 704567600 /nfs/dbraw/zinc/56/76/00/704567600.db2.gz LVHMEDKDTOXKRY-JYJNAYRXSA-N 2 2 332.448 1.064 20 0 EDADLP Cn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cn1 ZINC000997840789 704757467 /nfs/dbraw/zinc/75/74/67/704757467.db2.gz RIZCBAPVHKYGOP-HZPDHXFCSA-N 2 2 342.447 1.275 20 0 EDADLP Cn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cn1 ZINC000997840789 704757469 /nfs/dbraw/zinc/75/74/69/704757469.db2.gz RIZCBAPVHKYGOP-HZPDHXFCSA-N 2 2 342.447 1.275 20 0 EDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997881265 704785643 /nfs/dbraw/zinc/78/56/43/704785643.db2.gz QQUHJRSXVYRMLR-SJORKVTESA-N 2 2 346.475 1.310 20 0 EDADLP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC000944965825 704837581 /nfs/dbraw/zinc/83/75/81/704837581.db2.gz VZGXTBAAYVQXKF-RHSMWYFYSA-N 2 2 344.463 1.435 20 0 EDADLP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)n1 ZINC000944965825 704837587 /nfs/dbraw/zinc/83/75/87/704837587.db2.gz VZGXTBAAYVQXKF-RHSMWYFYSA-N 2 2 344.463 1.435 20 0 EDADLP CCc1nc(C[NH2+]CC2CCN(C(=O)Cn3c[nH+]cc3C)CC2)no1 ZINC000997915626 704979402 /nfs/dbraw/zinc/97/94/02/704979402.db2.gz MSQIHGYFDAINIS-UHFFFAOYSA-N 2 2 346.435 1.165 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N1CCC(C[NH2+][C@H](C)c2noc(C)n2)CC1 ZINC000997915943 704980250 /nfs/dbraw/zinc/98/02/50/704980250.db2.gz QLVATMODMONYLM-CYBMUJFWSA-N 2 2 346.435 1.472 20 0 EDADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC000997951801 705071779 /nfs/dbraw/zinc/07/17/79/705071779.db2.gz KFILEKFHRYDILV-HKUYNNGSSA-N 2 2 346.475 1.528 20 0 EDADLP CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998042809 705237609 /nfs/dbraw/zinc/23/76/09/705237609.db2.gz AOJMZWLSPRDZAW-IRXDYDNUSA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000998042809 705237611 /nfs/dbraw/zinc/23/76/11/705237611.db2.gz AOJMZWLSPRDZAW-IRXDYDNUSA-N 2 2 348.491 1.795 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998042778 705238044 /nfs/dbraw/zinc/23/80/44/705238044.db2.gz AMVKOLMSZYWALC-JKSUJKDBSA-N 2 2 348.491 1.518 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998042778 705238047 /nfs/dbraw/zinc/23/80/47/705238047.db2.gz AMVKOLMSZYWALC-JKSUJKDBSA-N 2 2 348.491 1.518 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998042778 705238050 /nfs/dbraw/zinc/23/80/50/705238050.db2.gz AMVKOLMSZYWALC-JKSUJKDBSA-N 2 2 348.491 1.518 20 0 EDADLP CCN(C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000998042778 705238053 /nfs/dbraw/zinc/23/80/53/705238053.db2.gz AMVKOLMSZYWALC-JKSUJKDBSA-N 2 2 348.491 1.518 20 0 EDADLP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3C)CC2)o1 ZINC000998269961 705647540 /nfs/dbraw/zinc/64/75/40/705647540.db2.gz SGCWIHYOBCNTFZ-LBPRGKRZSA-N 2 2 346.435 1.472 20 0 EDADLP Cc1cccnc1C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000998297563 705700398 /nfs/dbraw/zinc/70/03/98/705700398.db2.gz LQBLSUJQHPCABW-UHFFFAOYSA-N 2 2 327.432 1.615 20 0 EDADLP COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001032627987 705740010 /nfs/dbraw/zinc/74/00/10/705740010.db2.gz OLBGATUMNOZCMN-NJAFHUGGSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001032627987 705740013 /nfs/dbraw/zinc/74/00/13/705740013.db2.gz OLBGATUMNOZCMN-NJAFHUGGSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001032627987 705740018 /nfs/dbraw/zinc/74/00/18/705740018.db2.gz OLBGATUMNOZCMN-NJAFHUGGSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001032627987 705740020 /nfs/dbraw/zinc/74/00/20/705740020.db2.gz OLBGATUMNOZCMN-NJAFHUGGSA-N 2 2 343.471 1.822 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)c(C)n1 ZINC001032628226 705741207 /nfs/dbraw/zinc/74/12/07/705741207.db2.gz TYOXIEOCEDIMJL-JVPBZIDWSA-N 2 2 342.487 1.825 20 0 EDADLP Cc1ccc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)c(C)n1 ZINC001032628226 705741210 /nfs/dbraw/zinc/74/12/10/705741210.db2.gz TYOXIEOCEDIMJL-JVPBZIDWSA-N 2 2 342.487 1.825 20 0 EDADLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)c(C)n1 ZINC001032628226 705741212 /nfs/dbraw/zinc/74/12/12/705741212.db2.gz TYOXIEOCEDIMJL-JVPBZIDWSA-N 2 2 342.487 1.825 20 0 EDADLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CC[C@H](C)C2)c(C)n1 ZINC001032628226 705741215 /nfs/dbraw/zinc/74/12/15/705741215.db2.gz TYOXIEOCEDIMJL-JVPBZIDWSA-N 2 2 342.487 1.825 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998718589 706150441 /nfs/dbraw/zinc/15/04/41/706150441.db2.gz CQZUCLUXNYISKW-UONOGXRCSA-N 2 2 335.452 1.368 20 0 EDADLP CC(C)c1noc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998718589 706150443 /nfs/dbraw/zinc/15/04/43/706150443.db2.gz CQZUCLUXNYISKW-UONOGXRCSA-N 2 2 335.452 1.368 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)no1 ZINC000998995471 706413319 /nfs/dbraw/zinc/41/33/19/706413319.db2.gz SXSMYNJRMUTUCD-YMAMQOFZSA-N 2 2 349.479 1.756 20 0 EDADLP CC(C)c1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)no1 ZINC000998995471 706413321 /nfs/dbraw/zinc/41/33/21/706413321.db2.gz SXSMYNJRMUTUCD-YMAMQOFZSA-N 2 2 349.479 1.756 20 0 EDADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998988818 706420460 /nfs/dbraw/zinc/42/04/60/706420460.db2.gz MDUGAHYWKQIODW-UHFFFAOYSA-N 2 2 338.415 1.689 20 0 EDADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]Cc2ccns2)C1 ZINC000999007101 706426684 /nfs/dbraw/zinc/42/66/84/706426684.db2.gz IVGRTAUDQFXNCQ-DNOWBOINSA-N 2 2 345.472 1.681 20 0 EDADLP CCn1ccc(C[NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)n1 ZINC000999045763 706487212 /nfs/dbraw/zinc/48/72/12/706487212.db2.gz QNOUZYXBHAPFQA-HNNXBMFYSA-N 2 2 330.436 1.340 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000999143766 706557202 /nfs/dbraw/zinc/55/72/02/706557202.db2.gz IVOXAVPUROEUAQ-CVEARBPZSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)o1 ZINC000999143766 706557203 /nfs/dbraw/zinc/55/72/03/706557203.db2.gz IVOXAVPUROEUAQ-CVEARBPZSA-N 2 2 334.464 1.936 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC000999324226 706834197 /nfs/dbraw/zinc/83/41/97/706834197.db2.gz UZLAAURGPFRKCN-KRWDZBQOSA-N 2 2 344.463 1.436 20 0 EDADLP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC000999324226 706834200 /nfs/dbraw/zinc/83/42/00/706834200.db2.gz UZLAAURGPFRKCN-KRWDZBQOSA-N 2 2 344.463 1.436 20 0 EDADLP CCc1noc([C@H](C)[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999355298 706844666 /nfs/dbraw/zinc/84/46/66/706844666.db2.gz UIJANLWNCYXYRU-KBPBESRZSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]Cc3cnns3)C2)c[nH+]1 ZINC000999466676 706974905 /nfs/dbraw/zinc/97/49/05/706974905.db2.gz ODLKKROFTPAOIR-CYBMUJFWSA-N 2 2 348.476 1.559 20 0 EDADLP COc1cc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)ccn1 ZINC000999471239 706980182 /nfs/dbraw/zinc/98/01/82/706980182.db2.gz ZITLOATVDVZLPL-UHFFFAOYSA-N 2 2 329.404 1.135 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC000999511954 707010589 /nfs/dbraw/zinc/01/05/89/707010589.db2.gz NTDXMDOSBNCBKU-GOEBONIOSA-N 2 2 334.464 1.802 20 0 EDADLP CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC000999511954 707010591 /nfs/dbraw/zinc/01/05/91/707010591.db2.gz NTDXMDOSBNCBKU-GOEBONIOSA-N 2 2 334.464 1.802 20 0 EDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000999534415 707035188 /nfs/dbraw/zinc/03/51/88/707035188.db2.gz DYYMUNRPSQXDIK-NVXWUHKLSA-N 2 2 339.443 1.621 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)C2)no1 ZINC000999560959 707058169 /nfs/dbraw/zinc/05/81/69/707058169.db2.gz MZXQCWOUVURIRO-CYBMUJFWSA-N 2 2 347.419 1.427 20 0 EDADLP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000999636299 707106524 /nfs/dbraw/zinc/10/65/24/707106524.db2.gz BIZYHRCDTMLCCP-KTAKPFMOSA-N 2 2 328.416 1.446 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)no1 ZINC000999683045 707198106 /nfs/dbraw/zinc/19/81/06/707198106.db2.gz VFCCGSNEXDGYKN-IYXRBSQSSA-N 2 2 335.452 1.053 20 0 EDADLP CCc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)no1 ZINC000999683045 707198108 /nfs/dbraw/zinc/19/81/08/707198108.db2.gz VFCCGSNEXDGYKN-IYXRBSQSSA-N 2 2 335.452 1.053 20 0 EDADLP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999688414 707242776 /nfs/dbraw/zinc/24/27/76/707242776.db2.gz LTMMSSZRCJRSDA-UHFFFAOYSA-N 2 2 327.432 1.445 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001033264187 707284028 /nfs/dbraw/zinc/28/40/28/707284028.db2.gz AZSVBDXQMWTWPA-HNNXBMFYSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC001033264187 707284032 /nfs/dbraw/zinc/28/40/32/707284032.db2.gz AZSVBDXQMWTWPA-HNNXBMFYSA-N 2 2 343.431 1.790 20 0 EDADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)o1 ZINC000999709428 707302683 /nfs/dbraw/zinc/30/26/83/707302683.db2.gz UACCCWOEZWVIPO-AWEZNQCLSA-N 2 2 340.387 1.420 20 0 EDADLP Cc1csc(C[NH2+][C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)n1 ZINC000999711540 707307009 /nfs/dbraw/zinc/30/70/09/707307009.db2.gz FOVZNDIWTPTUEH-AWEZNQCLSA-N 2 2 333.461 1.737 20 0 EDADLP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999773009 707331984 /nfs/dbraw/zinc/33/19/84/707331984.db2.gz AGWNVUPWSFNFJO-MRXNPFEDSA-N 2 2 341.459 1.837 20 0 EDADLP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)C2)sn1 ZINC000999778125 707338588 /nfs/dbraw/zinc/33/85/88/707338588.db2.gz VFMVNAOCHFYCMX-CQSZACIVSA-N 2 2 347.488 1.898 20 0 EDADLP CC(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999799773 707370520 /nfs/dbraw/zinc/37/05/20/707370520.db2.gz LQQWAIACMDYUMO-ZWKOTPCHSA-N 2 2 337.508 1.724 20 0 EDADLP CC(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999799773 707370525 /nfs/dbraw/zinc/37/05/25/707370525.db2.gz LQQWAIACMDYUMO-ZWKOTPCHSA-N 2 2 337.508 1.724 20 0 EDADLP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)c1 ZINC001033186086 707376266 /nfs/dbraw/zinc/37/62/66/707376266.db2.gz SMZYVELUXMOLIT-BPQIPLTHSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)c1 ZINC001033186086 707376274 /nfs/dbraw/zinc/37/62/74/707376274.db2.gz SMZYVELUXMOLIT-BPQIPLTHSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001033186086 707376278 /nfs/dbraw/zinc/37/62/78/707376278.db2.gz SMZYVELUXMOLIT-BPQIPLTHSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)c1 ZINC001033186086 707376281 /nfs/dbraw/zinc/37/62/81/707376281.db2.gz SMZYVELUXMOLIT-BPQIPLTHSA-N 2 2 346.475 1.142 20 0 EDADLP Cc1nc(N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)c(C)c(C)[nH+]1 ZINC001061629910 707390335 /nfs/dbraw/zinc/39/03/35/707390335.db2.gz FJHHJURQYDJWBV-MRXNPFEDSA-N 2 2 343.475 1.440 20 0 EDADLP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001004946046 707717340 /nfs/dbraw/zinc/71/73/40/707717340.db2.gz KLWIOGVMNGJSOZ-XJKSGUPXSA-N 2 2 330.436 1.245 20 0 EDADLP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C)OC ZINC001032735945 707754920 /nfs/dbraw/zinc/75/49/20/707754920.db2.gz KOYXDWQFOWUCGJ-KKUMJFAQSA-N 2 2 332.448 1.471 20 0 EDADLP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C)OC ZINC001032735945 707754924 /nfs/dbraw/zinc/75/49/24/707754924.db2.gz KOYXDWQFOWUCGJ-KKUMJFAQSA-N 2 2 332.448 1.471 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)c1 ZINC001033416499 707796348 /nfs/dbraw/zinc/79/63/48/707796348.db2.gz PZLAJGFKUAHTIY-RDJZCZTQSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)c1 ZINC001033416499 707796354 /nfs/dbraw/zinc/79/63/54/707796354.db2.gz PZLAJGFKUAHTIY-RDJZCZTQSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c1 ZINC001033416499 707796360 /nfs/dbraw/zinc/79/63/60/707796360.db2.gz PZLAJGFKUAHTIY-RDJZCZTQSA-N 2 2 346.475 1.607 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)c1 ZINC001033416499 707796367 /nfs/dbraw/zinc/79/63/67/707796367.db2.gz PZLAJGFKUAHTIY-RDJZCZTQSA-N 2 2 346.475 1.607 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001033417884 707801729 /nfs/dbraw/zinc/80/17/29/707801729.db2.gz BCOIZAQWNVRSSG-PBHICJAKSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(F)cn3)C2)C1 ZINC001033417884 707801730 /nfs/dbraw/zinc/80/17/30/707801730.db2.gz BCOIZAQWNVRSSG-PBHICJAKSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(F)cn3)C2)C1 ZINC001033417884 707801731 /nfs/dbraw/zinc/80/17/31/707801731.db2.gz BCOIZAQWNVRSSG-PBHICJAKSA-N 2 2 334.439 1.595 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(F)cn3)C2)C1 ZINC001033417884 707801733 /nfs/dbraw/zinc/80/17/33/707801733.db2.gz BCOIZAQWNVRSSG-PBHICJAKSA-N 2 2 334.439 1.595 20 0 EDADLP COc1ccnc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)c1 ZINC001033418461 707803467 /nfs/dbraw/zinc/80/34/67/707803467.db2.gz CKCNJEYBSPOPKO-DOTOQJQBSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ccnc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)c1 ZINC001033418461 707803469 /nfs/dbraw/zinc/80/34/69/707803469.db2.gz CKCNJEYBSPOPKO-DOTOQJQBSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001033418461 707803473 /nfs/dbraw/zinc/80/34/73/707803473.db2.gz CKCNJEYBSPOPKO-DOTOQJQBSA-N 2 2 346.475 1.465 20 0 EDADLP COc1ccnc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC001033418461 707803476 /nfs/dbraw/zinc/80/34/76/707803476.db2.gz CKCNJEYBSPOPKO-DOTOQJQBSA-N 2 2 346.475 1.465 20 0 EDADLP Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001004984324 707831629 /nfs/dbraw/zinc/83/16/29/707831629.db2.gz VUKYCLFPBARRIU-GUYCJALGSA-N 2 2 345.447 1.818 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001033421005 707832910 /nfs/dbraw/zinc/83/29/10/707832910.db2.gz TZORHKUINLMDCP-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1ncc(C[NH+]2CC[C@@H](N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC001033421005 707832915 /nfs/dbraw/zinc/83/29/15/707832915.db2.gz TZORHKUINLMDCP-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001033421005 707832919 /nfs/dbraw/zinc/83/29/19/707832919.db2.gz TZORHKUINLMDCP-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@@H](C)C3)C2)cn1 ZINC001033421005 707832924 /nfs/dbraw/zinc/83/29/24/707832924.db2.gz TZORHKUINLMDCP-RHSMWYFYSA-N 2 2 331.464 1.160 20 0 EDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc3n2CCOC3)nc[nH+]1 ZINC000921702050 707837330 /nfs/dbraw/zinc/83/73/30/707837330.db2.gz WLYZXWIEKLASEF-ZDUSSCGKSA-N 2 2 343.435 1.004 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cnon1 ZINC001004991255 707855786 /nfs/dbraw/zinc/85/57/86/707855786.db2.gz KLKAOSWZUAORJO-WFASDCNBSA-N 2 2 332.408 1.134 20 0 EDADLP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033460787 707913120 /nfs/dbraw/zinc/91/31/20/707913120.db2.gz XPKKNNNPWGWQPO-AWEZNQCLSA-N 2 2 331.420 1.544 20 0 EDADLP CCc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033460787 707913123 /nfs/dbraw/zinc/91/31/23/707913123.db2.gz XPKKNNNPWGWQPO-AWEZNQCLSA-N 2 2 331.420 1.544 20 0 EDADLP C[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001005007331 707915019 /nfs/dbraw/zinc/91/50/19/707915019.db2.gz COVJBQOUURPAAJ-WBVHZDCISA-N 2 2 334.464 1.669 20 0 EDADLP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)o1 ZINC001005007740 707922046 /nfs/dbraw/zinc/92/20/46/707922046.db2.gz FKZQVHGCNAWKQX-BBRMVZONSA-N 2 2 331.420 1.739 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001001263674 708117584 /nfs/dbraw/zinc/11/75/84/708117584.db2.gz KEHNNTAOMHDBOW-DOMZBBRYSA-N 2 2 335.452 1.361 20 0 EDADLP Cc1noc([C@@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001001263674 708117587 /nfs/dbraw/zinc/11/75/87/708117587.db2.gz KEHNNTAOMHDBOW-DOMZBBRYSA-N 2 2 335.452 1.361 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](CC2CC(F)(F)C2)C1 ZINC001043220140 708194629 /nfs/dbraw/zinc/19/46/29/708194629.db2.gz YGUXHUJBLUZBFC-UHFFFAOYSA-N 2 2 327.419 1.803 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033591164 708288580 /nfs/dbraw/zinc/28/85/80/708288580.db2.gz TUENYRVKANTSLA-CABCVRRESA-N 2 2 334.464 1.789 20 0 EDADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033591164 708288581 /nfs/dbraw/zinc/28/85/81/708288581.db2.gz TUENYRVKANTSLA-CABCVRRESA-N 2 2 334.464 1.789 20 0 EDADLP Cc1csc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033594856 708297249 /nfs/dbraw/zinc/29/72/49/708297249.db2.gz RKTTVGHBQIRNIE-CQSZACIVSA-N 2 2 334.489 1.580 20 0 EDADLP Cc1csc(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033594856 708297251 /nfs/dbraw/zinc/29/72/51/708297251.db2.gz RKTTVGHBQIRNIE-CQSZACIVSA-N 2 2 334.489 1.580 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033596535 708301540 /nfs/dbraw/zinc/30/15/40/708301540.db2.gz ZUWSUDHKVGOONM-HOCLYGCPSA-N 2 2 334.464 1.310 20 0 EDADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033596535 708301545 /nfs/dbraw/zinc/30/15/45/708301545.db2.gz ZUWSUDHKVGOONM-HOCLYGCPSA-N 2 2 334.464 1.310 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC001033656444 708425746 /nfs/dbraw/zinc/42/57/46/708425746.db2.gz AILRPBDGZMFARE-HNNXBMFYSA-N 2 2 346.475 1.682 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC001033656444 708425747 /nfs/dbraw/zinc/42/57/47/708425747.db2.gz AILRPBDGZMFARE-HNNXBMFYSA-N 2 2 346.475 1.682 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001033665784 708449720 /nfs/dbraw/zinc/44/97/20/708449720.db2.gz REPHTTGIEUODLZ-OAHLLOKOSA-N 2 2 342.443 1.956 20 0 EDADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001033665784 708449722 /nfs/dbraw/zinc/44/97/22/708449722.db2.gz REPHTTGIEUODLZ-OAHLLOKOSA-N 2 2 342.443 1.956 20 0 EDADLP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)sn1 ZINC001033666362 708451023 /nfs/dbraw/zinc/45/10/23/708451023.db2.gz WEXWCQGXGLENFU-STQMWFEESA-N 2 2 338.477 1.136 20 0 EDADLP COc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)sn1 ZINC001033666362 708451024 /nfs/dbraw/zinc/45/10/24/708451024.db2.gz WEXWCQGXGLENFU-STQMWFEESA-N 2 2 338.477 1.136 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)sn1 ZINC001033666362 708451026 /nfs/dbraw/zinc/45/10/26/708451026.db2.gz WEXWCQGXGLENFU-STQMWFEESA-N 2 2 338.477 1.136 20 0 EDADLP COc1cc(C[NH+]2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)sn1 ZINC001033666362 708451027 /nfs/dbraw/zinc/45/10/27/708451027.db2.gz WEXWCQGXGLENFU-STQMWFEESA-N 2 2 338.477 1.136 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnccc3C)C2)C1 ZINC001033679730 708489805 /nfs/dbraw/zinc/48/98/05/708489805.db2.gz LIZFYGUWYYZCOT-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cnccc3C)C2)C1 ZINC001033679730 708489807 /nfs/dbraw/zinc/48/98/07/708489807.db2.gz LIZFYGUWYYZCOT-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cnccc3C)C2)C1 ZINC001033679730 708489809 /nfs/dbraw/zinc/48/98/09/708489809.db2.gz LIZFYGUWYYZCOT-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cnccc3C)C2)C1 ZINC001033679730 708489812 /nfs/dbraw/zinc/48/98/12/708489812.db2.gz LIZFYGUWYYZCOT-ROUUACIJSA-N 2 2 346.475 1.143 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033701420 708527775 /nfs/dbraw/zinc/52/77/75/708527775.db2.gz DEJGNJSZTDMKSM-IRXDYDNUSA-N 2 2 334.464 1.357 20 0 EDADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033701420 708527778 /nfs/dbraw/zinc/52/77/78/708527778.db2.gz DEJGNJSZTDMKSM-IRXDYDNUSA-N 2 2 334.464 1.357 20 0 EDADLP CN(C)c1cc(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC001033707976 708540854 /nfs/dbraw/zinc/54/08/54/708540854.db2.gz WHPVQZUYMHSMAG-INIZCTEOSA-N 2 2 342.447 1.077 20 0 EDADLP CN(C)c1cc(C[N@H+]2CC[C@H](N(C)C(=O)Cn3cc[nH+]c3)C2)ccn1 ZINC001033707976 708540856 /nfs/dbraw/zinc/54/08/56/708540856.db2.gz WHPVQZUYMHSMAG-INIZCTEOSA-N 2 2 342.447 1.077 20 0 EDADLP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3nc(C4CC4)no3)CC2)C1 ZINC001002121223 708635148 /nfs/dbraw/zinc/63/51/48/708635148.db2.gz QPOUFZFVHXSDIC-HNNXBMFYSA-N 2 2 347.463 1.227 20 0 EDADLP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3nc(C4CC4)no3)CC2)C1 ZINC001002121223 708635150 /nfs/dbraw/zinc/63/51/50/708635150.db2.gz QPOUFZFVHXSDIC-HNNXBMFYSA-N 2 2 347.463 1.227 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001033773921 708672877 /nfs/dbraw/zinc/67/28/77/708672877.db2.gz HJMFOSLULACVPA-LSDHHAIUSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001033773921 708672880 /nfs/dbraw/zinc/67/28/80/708672880.db2.gz HJMFOSLULACVPA-LSDHHAIUSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2nc(C)cs2)C1 ZINC001033773921 708672883 /nfs/dbraw/zinc/67/28/83/708672883.db2.gz HJMFOSLULACVPA-LSDHHAIUSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2nc(C)cs2)C1 ZINC001033773921 708672886 /nfs/dbraw/zinc/67/28/86/708672886.db2.gz HJMFOSLULACVPA-LSDHHAIUSA-N 2 2 336.505 1.969 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033789377 708699886 /nfs/dbraw/zinc/69/98/86/708699886.db2.gz NVWGZKWDDKVTAZ-CABCVRRESA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033789377 708699889 /nfs/dbraw/zinc/69/98/89/708699889.db2.gz NVWGZKWDDKVTAZ-CABCVRRESA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033789377 708699892 /nfs/dbraw/zinc/69/98/92/708699892.db2.gz NVWGZKWDDKVTAZ-CABCVRRESA-N 2 2 345.434 1.285 20 0 EDADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033789377 708699895 /nfs/dbraw/zinc/69/98/95/708699895.db2.gz NVWGZKWDDKVTAZ-CABCVRRESA-N 2 2 345.434 1.285 20 0 EDADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001032824859 708816979 /nfs/dbraw/zinc/81/69/79/708816979.db2.gz AESOCOXBSSTNKE-LWGXYICLSA-N 2 2 329.444 1.221 20 0 EDADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001032824859 708816982 /nfs/dbraw/zinc/81/69/82/708816982.db2.gz AESOCOXBSSTNKE-LWGXYICLSA-N 2 2 329.444 1.221 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](C/C=C\c3ccccc3)C2)C1 ZINC001032824859 708816984 /nfs/dbraw/zinc/81/69/84/708816984.db2.gz AESOCOXBSSTNKE-LWGXYICLSA-N 2 2 329.444 1.221 20 0 EDADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)C1 ZINC001032824859 708816987 /nfs/dbraw/zinc/81/69/87/708816987.db2.gz AESOCOXBSSTNKE-LWGXYICLSA-N 2 2 329.444 1.221 20 0 EDADLP Cc1nnc(C[NH+]2CCC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001005395666 708876544 /nfs/dbraw/zinc/87/65/44/708876544.db2.gz BJSSBBIYHWFJJS-INIZCTEOSA-N 2 2 347.463 1.143 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001033876703 708945252 /nfs/dbraw/zinc/94/52/52/708945252.db2.gz BFRWXBVTQCZKPK-KGLIPLIRSA-N 2 2 338.452 1.308 20 0 EDADLP CCN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001033876703 708945256 /nfs/dbraw/zinc/94/52/56/708945256.db2.gz BFRWXBVTQCZKPK-KGLIPLIRSA-N 2 2 338.452 1.308 20 0 EDADLP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001061710140 709078278 /nfs/dbraw/zinc/07/82/78/709078278.db2.gz WDBBKNGDQTWZTR-IRXDYDNUSA-N 2 2 345.491 1.850 20 0 EDADLP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN(c3cc[nH+]c(C)n3)C2)C1 ZINC001061710140 709078281 /nfs/dbraw/zinc/07/82/81/709078281.db2.gz WDBBKNGDQTWZTR-IRXDYDNUSA-N 2 2 345.491 1.850 20 0 EDADLP COc1ccc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034136218 709407241 /nfs/dbraw/zinc/40/72/41/709407241.db2.gz JMXPLHDMYHBYLR-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034136218 709407243 /nfs/dbraw/zinc/40/72/43/709407243.db2.gz JMXPLHDMYHBYLR-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001034136218 709407245 /nfs/dbraw/zinc/40/72/45/709407245.db2.gz JMXPLHDMYHBYLR-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP COc1ccc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001034136218 709407247 /nfs/dbraw/zinc/40/72/47/709407247.db2.gz JMXPLHDMYHBYLR-IRXDYDNUSA-N 2 2 346.475 1.655 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001002860263 709468544 /nfs/dbraw/zinc/46/85/44/709468544.db2.gz KFESJOBDGMRDHG-TYNCELHUSA-N 2 2 335.452 1.360 20 0 EDADLP Cc1noc([C@H](C)[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001002860263 709468545 /nfs/dbraw/zinc/46/85/45/709468545.db2.gz KFESJOBDGMRDHG-TYNCELHUSA-N 2 2 335.452 1.360 20 0 EDADLP CCc1cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C)[nH+]1 ZINC001061175420 709473242 /nfs/dbraw/zinc/47/32/42/709473242.db2.gz LMLJHDOMVZFNFQ-SJORKVTESA-N 2 2 345.491 1.869 20 0 EDADLP CCc1cc(N(C)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nc(C)[nH+]1 ZINC001061175420 709473243 /nfs/dbraw/zinc/47/32/43/709473243.db2.gz LMLJHDOMVZFNFQ-SJORKVTESA-N 2 2 345.491 1.869 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@@H+](C[C@@H](C)O)C3)ccn12 ZINC001034206461 709552628 /nfs/dbraw/zinc/55/26/28/709552628.db2.gz IJYFYOVWDVLOCD-ZBFHGGJFSA-N 2 2 330.432 1.608 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[N@H+](C[C@@H](C)O)C3)ccn12 ZINC001034206461 709552632 /nfs/dbraw/zinc/55/26/32/709552632.db2.gz IJYFYOVWDVLOCD-ZBFHGGJFSA-N 2 2 330.432 1.608 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[N@@H+](C[C@@H](C)O)C3)ccn12 ZINC001034206458 709552924 /nfs/dbraw/zinc/55/29/24/709552924.db2.gz IJYFYOVWDVLOCD-GDBMZVCRSA-N 2 2 330.432 1.608 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[N@H+](C[C@@H](C)O)C3)ccn12 ZINC001034206458 709552927 /nfs/dbraw/zinc/55/29/27/709552927.db2.gz IJYFYOVWDVLOCD-GDBMZVCRSA-N 2 2 330.432 1.608 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC001002953802 709653954 /nfs/dbraw/zinc/65/39/54/709653954.db2.gz CQNSHAGVZGYEMA-XJKSGUPXSA-N 2 2 349.479 1.894 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001034310330 709753663 /nfs/dbraw/zinc/75/36/63/709753663.db2.gz WJASUIWYORSBSE-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCCC[N@H+](Cc2nc(C)oc2C)C1 ZINC001034310330 709753665 /nfs/dbraw/zinc/75/36/65/709753665.db2.gz WJASUIWYORSBSE-INIZCTEOSA-N 2 2 345.447 1.967 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3ncccn3)C2)CC1 ZINC001034384380 709911136 /nfs/dbraw/zinc/91/11/36/709911136.db2.gz FADPSKJAKLSHLO-MRXNPFEDSA-N 2 2 331.464 1.289 20 0 EDADLP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001034384380 709911139 /nfs/dbraw/zinc/91/11/39/709911139.db2.gz FADPSKJAKLSHLO-MRXNPFEDSA-N 2 2 331.464 1.289 20 0 EDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001034396713 709935877 /nfs/dbraw/zinc/93/58/77/709935877.db2.gz GLDUJZUQZLRPNY-CVEARBPZSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccn(C)n3)C2)C1 ZINC001034396713 709935879 /nfs/dbraw/zinc/93/58/79/709935879.db2.gz GLDUJZUQZLRPNY-CVEARBPZSA-N 2 2 333.480 1.233 20 0 EDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](Cc3ccn(C)n3)C2)C1 ZINC001034396713 709935880 /nfs/dbraw/zinc/93/58/80/709935880.db2.gz GLDUJZUQZLRPNY-CVEARBPZSA-N 2 2 333.480 1.233 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)no1 ZINC001034403211 709949893 /nfs/dbraw/zinc/94/98/93/709949893.db2.gz UVZBOGPFBOEZIS-ZBFHGGJFSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)no1 ZINC001034403211 709949895 /nfs/dbraw/zinc/94/98/95/709949895.db2.gz UVZBOGPFBOEZIS-ZBFHGGJFSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)no1 ZINC001034403211 709949898 /nfs/dbraw/zinc/94/98/98/709949898.db2.gz UVZBOGPFBOEZIS-ZBFHGGJFSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)no1 ZINC001034403211 709949901 /nfs/dbraw/zinc/94/99/01/709949901.db2.gz UVZBOGPFBOEZIS-ZBFHGGJFSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034490840 710110150 /nfs/dbraw/zinc/11/01/50/710110150.db2.gz OHFRGWJHBZMPAA-SJORKVTESA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[NH+]2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034490840 710110153 /nfs/dbraw/zinc/11/01/53/710110153.db2.gz OHFRGWJHBZMPAA-SJORKVTESA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[N@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034490840 710110156 /nfs/dbraw/zinc/11/01/56/710110156.db2.gz OHFRGWJHBZMPAA-SJORKVTESA-N 2 2 345.491 1.598 20 0 EDADLP Cc1ccnc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001034490840 710110157 /nfs/dbraw/zinc/11/01/57/710110157.db2.gz OHFRGWJHBZMPAA-SJORKVTESA-N 2 2 345.491 1.598 20 0 EDADLP Cc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)co1 ZINC001034491703 710112439 /nfs/dbraw/zinc/11/24/39/710112439.db2.gz VPCMIJWBPZPFLW-OAHLLOKOSA-N 2 2 332.448 1.550 20 0 EDADLP Cc1nc(C[N@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)co1 ZINC001034491703 710112441 /nfs/dbraw/zinc/11/24/41/710112441.db2.gz VPCMIJWBPZPFLW-OAHLLOKOSA-N 2 2 332.448 1.550 20 0 EDADLP Cc1ncc(C[NH+]2CCC(NC(=O)c3cc(C[NH+](C)C)on3)CC2)o1 ZINC001003221616 710140612 /nfs/dbraw/zinc/14/06/12/710140612.db2.gz PJJGRDWHXMTPSU-UHFFFAOYSA-N 2 2 347.419 1.427 20 0 EDADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003229663 710150477 /nfs/dbraw/zinc/15/04/77/710150477.db2.gz HPSFZRGXDXZMQI-QGZVFWFLSA-N 2 2 347.507 1.621 20 0 EDADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2nccn2C)CC1 ZINC001003229663 710150481 /nfs/dbraw/zinc/15/04/81/710150481.db2.gz HPSFZRGXDXZMQI-QGZVFWFLSA-N 2 2 347.507 1.621 20 0 EDADLP C[C@H](c1ncccn1)[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003244129 710167226 /nfs/dbraw/zinc/16/72/26/710167226.db2.gz JVUHVYCYIBOSGR-OAHLLOKOSA-N 2 2 343.475 1.747 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@H+](Cc2cc(C)ncn2)C1 ZINC001034529946 710186237 /nfs/dbraw/zinc/18/62/37/710186237.db2.gz RMKDRSQCGYLTKO-MRXNPFEDSA-N 2 2 342.447 1.461 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(C)ncn2)C1 ZINC001034529946 710186240 /nfs/dbraw/zinc/18/62/40/710186240.db2.gz RMKDRSQCGYLTKO-MRXNPFEDSA-N 2 2 342.447 1.461 20 0 EDADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034534951 710206673 /nfs/dbraw/zinc/20/66/73/710206673.db2.gz PXAGIVJEVBRTDP-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034534951 710206676 /nfs/dbraw/zinc/20/66/76/710206676.db2.gz PXAGIVJEVBRTDP-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cccnc3)C2)C1 ZINC001034534951 710206679 /nfs/dbraw/zinc/20/66/79/710206679.db2.gz PXAGIVJEVBRTDP-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cccnc3)C2)C1 ZINC001034534951 710206682 /nfs/dbraw/zinc/20/66/82/710206682.db2.gz PXAGIVJEVBRTDP-MSOLQXFVSA-N 2 2 346.475 1.273 20 0 EDADLP CC1(C)CO[C@@H](C[N@@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001034547330 710221502 /nfs/dbraw/zinc/22/15/02/710221502.db2.gz PHYKYWIGIKCXOG-HZPDHXFCSA-N 2 2 334.464 1.669 20 0 EDADLP CC1(C)CO[C@@H](C[N@H+]2CCCC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001034547330 710221504 /nfs/dbraw/zinc/22/15/04/710221504.db2.gz PHYKYWIGIKCXOG-HZPDHXFCSA-N 2 2 334.464 1.669 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001003309588 710238861 /nfs/dbraw/zinc/23/88/61/710238861.db2.gz DIMJWVXNGQQYPL-UHFFFAOYSA-N 2 2 338.415 1.462 20 0 EDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000922177115 710350578 /nfs/dbraw/zinc/35/05/78/710350578.db2.gz DYUNVWTVWBUSFO-INIZCTEOSA-N 2 2 340.512 1.518 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC001003627852 710457800 /nfs/dbraw/zinc/45/78/00/710457800.db2.gz IXWJQOQAWYDSLB-ZIAGYGMSSA-N 2 2 349.479 1.758 20 0 EDADLP CCc1nnc([C@@H](C)[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001003627852 710457802 /nfs/dbraw/zinc/45/78/02/710457802.db2.gz IXWJQOQAWYDSLB-ZIAGYGMSSA-N 2 2 349.479 1.758 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)no1 ZINC001003628183 710458367 /nfs/dbraw/zinc/45/83/67/710458367.db2.gz NOJLNGRNPCPXNV-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC(C)(C)C3)CC2)no1 ZINC001003628183 710458368 /nfs/dbraw/zinc/45/83/68/710458368.db2.gz NOJLNGRNPCPXNV-UHFFFAOYSA-N 2 2 334.464 1.796 20 0 EDADLP Cc1cccc(OCC[NH+]2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC001003702562 710494350 /nfs/dbraw/zinc/49/43/50/710494350.db2.gz LKDREIOCNJWHGW-UHFFFAOYSA-N 2 2 342.443 1.920 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001003776317 710545229 /nfs/dbraw/zinc/54/52/29/710545229.db2.gz LWUGWCWYXNRHKN-WBVHZDCISA-N 2 2 347.463 1.476 20 0 EDADLP Cc1nonc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776317 710545231 /nfs/dbraw/zinc/54/52/31/710545231.db2.gz LWUGWCWYXNRHKN-WBVHZDCISA-N 2 2 347.463 1.476 20 0 EDADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001003847355 710696931 /nfs/dbraw/zinc/69/69/31/710696931.db2.gz WJTQJTLEUVCEGM-MRXNPFEDSA-N 2 2 346.406 1.406 20 0 EDADLP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](Cc2ncccn2)CC1 ZINC001005663303 710894561 /nfs/dbraw/zinc/89/45/61/710894561.db2.gz YCYLFVABIKJQPS-UHFFFAOYSA-N 2 2 343.475 1.528 20 0 EDADLP COc1ccc(F)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960056 710966442 /nfs/dbraw/zinc/96/64/42/710966442.db2.gz MASLQKRXAZKGIQ-SJORKVTESA-N 2 2 349.450 1.961 20 0 EDADLP COc1ccc(F)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960056 710966444 /nfs/dbraw/zinc/96/64/44/710966444.db2.gz MASLQKRXAZKGIQ-SJORKVTESA-N 2 2 349.450 1.961 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032960056 710966445 /nfs/dbraw/zinc/96/64/45/710966445.db2.gz MASLQKRXAZKGIQ-SJORKVTESA-N 2 2 349.450 1.961 20 0 EDADLP COc1ccc(F)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001032960056 710966446 /nfs/dbraw/zinc/96/64/46/710966446.db2.gz MASLQKRXAZKGIQ-SJORKVTESA-N 2 2 349.450 1.961 20 0 EDADLP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034760993 710995811 /nfs/dbraw/zinc/99/58/11/710995811.db2.gz GEWMJWZBSBNCKO-HDJSIYSDSA-N 2 2 330.436 1.386 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034786349 711091093 /nfs/dbraw/zinc/09/10/93/711091093.db2.gz NAYSCSDCXXIBKJ-HDJSIYSDSA-N 2 2 330.436 1.211 20 0 EDADLP CCc1cnc(C[NH+]2CCC(N(C)C(=O)Cn3c[nH+]cc3C)CC2)o1 ZINC001005713924 711109707 /nfs/dbraw/zinc/10/97/07/711109707.db2.gz QIGUOXQLEZSTGZ-UHFFFAOYSA-N 2 2 345.447 1.865 20 0 EDADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1 ZINC001034792220 711118780 /nfs/dbraw/zinc/11/87/80/711118780.db2.gz BOQOSYVWUKFQOZ-JOCQHMNTSA-N 2 2 334.449 1.260 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001003972562 711127279 /nfs/dbraw/zinc/12/72/79/711127279.db2.gz ZRFDPYOPVCMHQZ-CQSZACIVSA-N 2 2 336.505 1.874 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001003972562 711127284 /nfs/dbraw/zinc/12/72/84/711127284.db2.gz ZRFDPYOPVCMHQZ-CQSZACIVSA-N 2 2 336.505 1.874 20 0 EDADLP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001003968122 711139063 /nfs/dbraw/zinc/13/90/63/711139063.db2.gz QZPVIOBZXZAGRE-CQSZACIVSA-N 2 2 346.475 1.974 20 0 EDADLP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ncc(C4CC4)o3)CC2)C1 ZINC001003968122 711139066 /nfs/dbraw/zinc/13/90/66/711139066.db2.gz QZPVIOBZXZAGRE-CQSZACIVSA-N 2 2 346.475 1.974 20 0 EDADLP CO[C@@H](C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1)C1CCC1 ZINC001003977953 711152138 /nfs/dbraw/zinc/15/21/38/711152138.db2.gz ZZUBCHDVJWZKDQ-KRWDZBQOSA-N 2 2 334.464 1.358 20 0 EDADLP CO[C@H](C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1)C1CCC1 ZINC001003977955 711152232 /nfs/dbraw/zinc/15/22/32/711152232.db2.gz ZZUBCHDVJWZKDQ-QGZVFWFLSA-N 2 2 334.464 1.358 20 0 EDADLP Cc1nc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)oc1C ZINC001003978260 711153649 /nfs/dbraw/zinc/15/36/49/711153649.db2.gz CVVGMCRGKNQNOE-UHFFFAOYSA-N 2 2 332.448 1.468 20 0 EDADLP O=C(NC1CC[NH+](Cc2cc3n(n2)CCC3)CC1)C12CC[NH+](CC1)C2 ZINC001003986351 711192096 /nfs/dbraw/zinc/19/20/96/711192096.db2.gz VQOKLQPJXJFFCQ-UHFFFAOYSA-N 2 2 343.475 1.006 20 0 EDADLP CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)cc1 ZINC001034821349 711222893 /nfs/dbraw/zinc/22/28/93/711222893.db2.gz ZYSWJXXDMPXDLQ-IBGZPJMESA-N 2 2 345.487 1.913 20 0 EDADLP CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)cc1 ZINC001034821349 711222895 /nfs/dbraw/zinc/22/28/95/711222895.db2.gz ZYSWJXXDMPXDLQ-IBGZPJMESA-N 2 2 345.487 1.913 20 0 EDADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001004056224 711357825 /nfs/dbraw/zinc/35/78/25/711357825.db2.gz OPXUQHWLZIZBRS-KBXCAEBGSA-N 2 2 332.448 1.268 20 0 EDADLP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)sn1 ZINC001034921062 711380258 /nfs/dbraw/zinc/38/02/58/711380258.db2.gz UVYSYTPJIXVAJE-CYBMUJFWSA-N 2 2 333.461 1.888 20 0 EDADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]Cc1ccon1 ZINC001034959101 711433283 /nfs/dbraw/zinc/43/32/83/711433283.db2.gz RNWPZKWIXAKNSY-HUUCEWRRSA-N 2 2 329.404 1.529 20 0 EDADLP CCc1nc(C[NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)cs1 ZINC001004146356 711557257 /nfs/dbraw/zinc/55/72/57/711557257.db2.gz QVQDXNWFFBNKBB-UHFFFAOYSA-N 2 2 347.488 1.991 20 0 EDADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033126707 711890831 /nfs/dbraw/zinc/89/08/31/711890831.db2.gz OYRCAFSVLBTIEG-ROUUACIJSA-N 2 2 347.507 1.636 20 0 EDADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001033126707 711890833 /nfs/dbraw/zinc/89/08/33/711890833.db2.gz OYRCAFSVLBTIEG-ROUUACIJSA-N 2 2 347.507 1.636 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001033126707 711890835 /nfs/dbraw/zinc/89/08/35/711890835.db2.gz OYRCAFSVLBTIEG-ROUUACIJSA-N 2 2 347.507 1.636 20 0 EDADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001033126707 711890836 /nfs/dbraw/zinc/89/08/36/711890836.db2.gz OYRCAFSVLBTIEG-ROUUACIJSA-N 2 2 347.507 1.636 20 0 EDADLP CC1CC[NH+](CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000051209761 214083133 /nfs/dbraw/zinc/08/31/33/214083133.db2.gz FBNIPJZBABSUJF-UHFFFAOYSA-N 2 2 345.487 1.867 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000370941791 282094968 /nfs/dbraw/zinc/09/49/68/282094968.db2.gz KSVOWUXHGLLTSV-IYOUNJFTSA-N 2 2 348.491 1.976 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000370941791 282094970 /nfs/dbraw/zinc/09/49/70/282094970.db2.gz KSVOWUXHGLLTSV-IYOUNJFTSA-N 2 2 348.491 1.976 20 0 EDADLP CCNc1nc(N(C)CCC[NH+]2CCCC2)nc(NC(C)(C)C)[nH+]1 ZINC000557671158 306232858 /nfs/dbraw/zinc/23/28/58/306232858.db2.gz MRJQTBZQLRNRLA-UHFFFAOYSA-N 2 2 335.500 1.858 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N(C)CCC[NH+]2CCCC2)[nH+]1 ZINC000557671158 306232859 /nfs/dbraw/zinc/23/28/59/306232859.db2.gz MRJQTBZQLRNRLA-UHFFFAOYSA-N 2 2 335.500 1.858 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N(C)CCC[NH+]2CCCC2)n1 ZINC000557671158 306232860 /nfs/dbraw/zinc/23/28/60/306232860.db2.gz MRJQTBZQLRNRLA-UHFFFAOYSA-N 2 2 335.500 1.858 20 0 EDADLP C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173962470 231083011 /nfs/dbraw/zinc/08/30/11/231083011.db2.gz LRQOXCAQRPRHJB-QAPCUYQASA-N 2 2 340.427 1.665 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)Cn3cc[nH+]c3)c2)CC1 ZINC000558649298 306242159 /nfs/dbraw/zinc/24/21/59/306242159.db2.gz CNKZNWQWLXHFCW-UHFFFAOYSA-N 2 2 341.415 1.186 20 0 EDADLP CCC(CC)[C@@H](C(=O)NC[C@]1(COC)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000357281763 282224314 /nfs/dbraw/zinc/22/43/14/282224314.db2.gz BZYWQNYGPLWZET-WMZOPIPTSA-N 2 2 341.496 1.008 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC000182505057 282237926 /nfs/dbraw/zinc/23/79/26/282237926.db2.gz YFPAFSXCZKPKEL-MRXNPFEDSA-N 2 2 348.491 1.252 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC000182505057 282237928 /nfs/dbraw/zinc/23/79/28/282237928.db2.gz YFPAFSXCZKPKEL-MRXNPFEDSA-N 2 2 348.491 1.252 20 0 EDADLP CCC(CC)[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCOCC1 ZINC000359341355 282252344 /nfs/dbraw/zinc/25/23/44/282252344.db2.gz CTFBBNWNILRNEX-RYQLBKOJSA-N 2 2 337.508 1.819 20 0 EDADLP CCC(CC)[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCOCC1 ZINC000359341355 282252345 /nfs/dbraw/zinc/25/23/45/282252345.db2.gz CTFBBNWNILRNEX-RYQLBKOJSA-N 2 2 337.508 1.819 20 0 EDADLP C[NH+]1CCN(CCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187710320 529771385 /nfs/dbraw/zinc/77/13/85/529771385.db2.gz QVRAESTTWXLINS-QGZVFWFLSA-N 2 2 331.439 1.865 20 0 EDADLP CN1c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2CCC1=O ZINC000187035703 529832576 /nfs/dbraw/zinc/83/25/76/529832576.db2.gz HEYIYTMGGBUMTK-QGZVFWFLSA-N 2 2 343.471 1.750 20 0 EDADLP CN1c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2CCC1=O ZINC000187035703 529832577 /nfs/dbraw/zinc/83/25/77/529832577.db2.gz HEYIYTMGGBUMTK-QGZVFWFLSA-N 2 2 343.471 1.750 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000177917681 282298863 /nfs/dbraw/zinc/29/88/63/282298863.db2.gz FLTHESROOVUWFM-KDOFPFPSSA-N 2 2 328.460 1.798 20 0 EDADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000177917681 282298866 /nfs/dbraw/zinc/29/88/66/282298866.db2.gz FLTHESROOVUWFM-KDOFPFPSSA-N 2 2 328.460 1.798 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000154864833 529898416 /nfs/dbraw/zinc/89/84/16/529898416.db2.gz NWQFCXNFPALRBJ-SFHVURJKSA-N 2 2 342.443 1.633 20 0 EDADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000154864833 529898418 /nfs/dbraw/zinc/89/84/18/529898418.db2.gz NWQFCXNFPALRBJ-SFHVURJKSA-N 2 2 342.443 1.633 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179489586 530053112 /nfs/dbraw/zinc/05/31/12/530053112.db2.gz FPPJCKUAQASQDL-SFHVURJKSA-N 2 2 327.476 1.936 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179489586 530053113 /nfs/dbraw/zinc/05/31/13/530053113.db2.gz FPPJCKUAQASQDL-SFHVURJKSA-N 2 2 327.476 1.936 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@@H]21 ZINC000178190966 530058350 /nfs/dbraw/zinc/05/83/50/530058350.db2.gz SZIDYBAPEJJUTB-CVEARBPZSA-N 2 2 327.432 1.960 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccn4cc[nH+]c4c3)CC[C@@H]21 ZINC000178190966 530058351 /nfs/dbraw/zinc/05/83/51/530058351.db2.gz SZIDYBAPEJJUTB-CVEARBPZSA-N 2 2 327.432 1.960 20 0 EDADLP CC(C)[N@H+](C)CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000101977050 219178174 /nfs/dbraw/zinc/17/81/74/219178174.db2.gz FPMQWCMFEUHWDY-GOSISDBHSA-N 2 2 348.491 1.699 20 0 EDADLP CC(C)[N@@H+](C)CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000101977050 219178175 /nfs/dbraw/zinc/17/81/75/219178175.db2.gz FPMQWCMFEUHWDY-GOSISDBHSA-N 2 2 348.491 1.699 20 0 EDADLP Cc1cc(C)c(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c[nH+]1 ZINC000560566844 306274903 /nfs/dbraw/zinc/27/49/03/306274903.db2.gz SVNNLWRSMPBZIM-KRWDZBQOSA-N 2 2 332.448 1.705 20 0 EDADLP Cc1ccc2[nH+]c(CN3CCN(C(=O)C[NH+]4CCCC4)CC3)cn2c1 ZINC000103230708 219272755 /nfs/dbraw/zinc/27/27/55/219272755.db2.gz UVDWZMJRVXWNIV-UHFFFAOYSA-N 2 2 341.459 1.383 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[NH+](C)C)cc1 ZINC000151007963 539730212 /nfs/dbraw/zinc/73/02/12/539730212.db2.gz GJDMDFPSKWPXLN-NJAFHUGGSA-N 2 2 348.491 1.616 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C)cc1 ZINC000151007963 539730215 /nfs/dbraw/zinc/73/02/15/539730215.db2.gz GJDMDFPSKWPXLN-NJAFHUGGSA-N 2 2 348.491 1.616 20 0 EDADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCN(c4cc[nH+]cc4)CC3)C2=O)n1 ZINC000151319977 539749955 /nfs/dbraw/zinc/74/99/55/539749955.db2.gz QPBMGEYDDBZLSG-MRXNPFEDSA-N 2 2 340.431 1.133 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)[N@H+](C)C1 ZINC000343303098 539783931 /nfs/dbraw/zinc/78/39/31/539783931.db2.gz RUESFRGPUGBRIX-ROUUACIJSA-N 2 2 331.460 1.358 20 0 EDADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)[N@@H+](C)C1 ZINC000343303098 539783935 /nfs/dbraw/zinc/78/39/35/539783935.db2.gz RUESFRGPUGBRIX-ROUUACIJSA-N 2 2 331.460 1.358 20 0 EDADLP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1 ZINC000068413692 215305881 /nfs/dbraw/zinc/30/58/81/215305881.db2.gz MEAPURVGMMZPLQ-SFHVURJKSA-N 2 2 346.475 1.006 20 0 EDADLP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1 ZINC000068413692 215305883 /nfs/dbraw/zinc/30/58/83/215305883.db2.gz MEAPURVGMMZPLQ-SFHVURJKSA-N 2 2 346.475 1.006 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000104272614 219368416 /nfs/dbraw/zinc/36/84/16/219368416.db2.gz JHDHXUCJHDDYKS-MRXNPFEDSA-N 2 2 331.464 1.646 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000344630142 539813577 /nfs/dbraw/zinc/81/35/77/539813577.db2.gz OIFFFLSSTBXMRI-IRXDYDNUSA-N 2 2 347.459 1.059 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000344630142 539813578 /nfs/dbraw/zinc/81/35/78/539813578.db2.gz OIFFFLSSTBXMRI-IRXDYDNUSA-N 2 2 347.459 1.059 20 0 EDADLP COc1cccc(OC)c1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000352758686 539926544 /nfs/dbraw/zinc/92/65/44/539926544.db2.gz HRCNMCJLRBBHGI-UHFFFAOYSA-N 2 2 349.475 1.736 20 0 EDADLP Cn1cc(-c2ncc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)cn2)cn1 ZINC000562901924 306312078 /nfs/dbraw/zinc/31/20/78/306312078.db2.gz KFGASKNAPRQFGP-DOTOQJQBSA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)cn2)cn1 ZINC000562901924 306312079 /nfs/dbraw/zinc/31/20/79/306312079.db2.gz KFGASKNAPRQFGP-DOTOQJQBSA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)cn2)cn1 ZINC000562901924 306312080 /nfs/dbraw/zinc/31/20/80/306312080.db2.gz KFGASKNAPRQFGP-DOTOQJQBSA-N 2 2 326.448 1.793 20 0 EDADLP Cn1cc(-c2ncc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cn2)cn1 ZINC000562901924 306312081 /nfs/dbraw/zinc/31/20/81/306312081.db2.gz KFGASKNAPRQFGP-DOTOQJQBSA-N 2 2 326.448 1.793 20 0 EDADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](c2nccs2)c2ccccc2)CC1 ZINC000562935141 306312782 /nfs/dbraw/zinc/31/27/82/306312782.db2.gz CTIFGALMUVSZLC-IAGOWNOFSA-N 2 2 346.500 1.430 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)CC23CCCCC3)C[C@@H](C)O1 ZINC000495065670 540052923 /nfs/dbraw/zinc/05/29/23/540052923.db2.gz FTHLLLCNFINLSA-KURKYZTESA-N 2 2 339.524 1.407 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C)CC23CCCCC3)C[C@@H](C)O1 ZINC000495065670 540052924 /nfs/dbraw/zinc/05/29/24/540052924.db2.gz FTHLLLCNFINLSA-KURKYZTESA-N 2 2 339.524 1.407 20 0 EDADLP Cn1c[nH+]cc1CNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000291197826 540090647 /nfs/dbraw/zinc/09/06/47/540090647.db2.gz UBIPSRSLJKBDOA-UHFFFAOYSA-N 2 2 343.431 1.252 20 0 EDADLP Cc1noc(C)c1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051281078 138134658 /nfs/dbraw/zinc/13/46/58/138134658.db2.gz VYVBPTWHRSDQFC-UHFFFAOYSA-N 2 2 349.479 1.649 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000072823654 138210840 /nfs/dbraw/zinc/21/08/40/138210840.db2.gz UHNABRBJXYOFAD-OAHLLOKOSA-N 2 2 338.496 1.809 20 0 EDADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000072823654 138210841 /nfs/dbraw/zinc/21/08/41/138210841.db2.gz UHNABRBJXYOFAD-OAHLLOKOSA-N 2 2 338.496 1.809 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)NC3CCOCC3)C2)CC1 ZINC000076492212 138248546 /nfs/dbraw/zinc/24/85/46/138248546.db2.gz LDSLXWPIBQMGCF-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)NC3CCOCC3)C2)CC1 ZINC000076492212 138248547 /nfs/dbraw/zinc/24/85/47/138248547.db2.gz LDSLXWPIBQMGCF-KRWDZBQOSA-N 2 2 337.508 1.726 20 0 EDADLP CC(C)C[C@H](CCO)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000085414956 138270556 /nfs/dbraw/zinc/27/05/56/138270556.db2.gz HDEPZSYUJZUNBW-INIZCTEOSA-N 2 2 342.528 1.356 20 0 EDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000563580756 306339591 /nfs/dbraw/zinc/33/95/91/306339591.db2.gz LPBZSLFDLJZOCB-OKZBNKHCSA-N 2 2 330.476 1.997 20 0 EDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000563580756 306339592 /nfs/dbraw/zinc/33/95/92/306339592.db2.gz LPBZSLFDLJZOCB-OKZBNKHCSA-N 2 2 330.476 1.997 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)[C@H](C)C1 ZINC000089635851 138274725 /nfs/dbraw/zinc/27/47/25/138274725.db2.gz JOEUPAXMELYIAJ-OWCLPIDISA-N 2 2 334.526 1.536 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)[C@H](C)C1 ZINC000089635851 138274726 /nfs/dbraw/zinc/27/47/26/138274726.db2.gz JOEUPAXMELYIAJ-OWCLPIDISA-N 2 2 334.526 1.536 20 0 EDADLP CC[C@@H](C)Oc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccn1 ZINC000563584894 306340047 /nfs/dbraw/zinc/34/00/47/306340047.db2.gz SYKMTJZSLPSCGT-HIFRSBDPSA-N 2 2 335.452 1.043 20 0 EDADLP CC[C@@H](C)Oc1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccn1 ZINC000563584894 306340048 /nfs/dbraw/zinc/34/00/48/306340048.db2.gz SYKMTJZSLPSCGT-HIFRSBDPSA-N 2 2 335.452 1.043 20 0 EDADLP C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000107832605 138304599 /nfs/dbraw/zinc/30/45/99/138304599.db2.gz QVXJWQCHASYLGS-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP c1c[nH+]c(CN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)[nH]1 ZINC000109835210 138306610 /nfs/dbraw/zinc/30/66/10/138306610.db2.gz MBOLNQQUXPBTFJ-KRWDZBQOSA-N 2 2 340.475 1.839 20 0 EDADLP COCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124648741 138328603 /nfs/dbraw/zinc/32/86/03/138328603.db2.gz JMCJYQQHJRANFX-SJORKVTESA-N 2 2 325.497 1.819 20 0 EDADLP COCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124648741 138328604 /nfs/dbraw/zinc/32/86/04/138328604.db2.gz JMCJYQQHJRANFX-SJORKVTESA-N 2 2 325.497 1.819 20 0 EDADLP CSCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000125673451 138335477 /nfs/dbraw/zinc/33/54/77/138335477.db2.gz WHGCHFXIJMIXPN-XYPWUTKMSA-N 2 2 340.537 1.692 20 0 EDADLP CSCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000125673451 138335478 /nfs/dbraw/zinc/33/54/78/138335478.db2.gz WHGCHFXIJMIXPN-XYPWUTKMSA-N 2 2 340.537 1.692 20 0 EDADLP C[C@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1n1cc[nH+]c1 ZINC000130939622 138349959 /nfs/dbraw/zinc/34/99/59/138349959.db2.gz STJOTWUREWBWIH-GJZGRUSLSA-N 2 2 345.451 1.756 20 0 EDADLP C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[C@@H](c1ccccc1)[NH+](C)C ZINC000413537591 304065647 /nfs/dbraw/zinc/06/56/47/304065647.db2.gz WWZWBURNFNQRCW-BGTYHANMSA-N 2 2 346.475 1.402 20 0 EDADLP C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[C@@H](c1ccccc1)[NH+](C)C ZINC000413537591 304065649 /nfs/dbraw/zinc/06/56/49/304065649.db2.gz WWZWBURNFNQRCW-BGTYHANMSA-N 2 2 346.475 1.402 20 0 EDADLP Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000129132787 223025292 /nfs/dbraw/zinc/02/52/92/223025292.db2.gz IMPGDUVSIIRIDE-OAHLLOKOSA-N 2 2 333.407 1.812 20 0 EDADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCCCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000563813041 306348230 /nfs/dbraw/zinc/34/82/30/306348230.db2.gz IEWFKLKLBPKXLG-KRWDZBQOSA-N 3 2 336.524 1.585 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000187553678 236245566 /nfs/dbraw/zinc/24/55/66/236245566.db2.gz ZPWNSDZLIASYKE-INIZCTEOSA-N 2 2 332.448 1.501 20 0 EDADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000187553678 236245568 /nfs/dbraw/zinc/24/55/68/236245568.db2.gz ZPWNSDZLIASYKE-INIZCTEOSA-N 2 2 332.448 1.501 20 0 EDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000305697150 283320898 /nfs/dbraw/zinc/32/08/98/283320898.db2.gz APHOHVPJXAEYQV-DLBZAZTESA-N 2 2 335.423 1.273 20 0 EDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000305697150 283320899 /nfs/dbraw/zinc/32/08/99/283320899.db2.gz APHOHVPJXAEYQV-DLBZAZTESA-N 2 2 335.423 1.273 20 0 EDADLP C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc4c[nH+]cn4c3)[nH+]cn2)C1 ZINC000564544336 306360155 /nfs/dbraw/zinc/36/01/55/306360155.db2.gz INRPUADYSMJTOE-ZFWWWQNUSA-N 2 2 338.415 1.944 20 0 EDADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)C1CC1 ZINC000564793580 306364950 /nfs/dbraw/zinc/36/49/50/306364950.db2.gz QURQDCRHOKBBPQ-HIFRSBDPSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)C1CC1 ZINC000564793580 306364951 /nfs/dbraw/zinc/36/49/51/306364951.db2.gz QURQDCRHOKBBPQ-HIFRSBDPSA-N 2 2 337.851 1.490 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000190033157 238182028 /nfs/dbraw/zinc/18/20/28/238182028.db2.gz RZFGEILLCYJWHR-HNNXBMFYSA-N 2 2 331.464 1.786 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414352543 304110446 /nfs/dbraw/zinc/11/04/46/304110446.db2.gz XCAARRLCLMFWDM-YPMHNXCESA-N 2 2 328.254 1.683 20 0 EDADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414352543 304110449 /nfs/dbraw/zinc/11/04/49/304110449.db2.gz XCAARRLCLMFWDM-YPMHNXCESA-N 2 2 328.254 1.683 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000565827741 306392458 /nfs/dbraw/zinc/39/24/58/306392458.db2.gz FRVFBESKQHSBML-GJZGRUSLSA-N 2 2 347.463 1.154 20 0 EDADLP CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccnn3CC)C2=O)CC1 ZINC000188569230 138845022 /nfs/dbraw/zinc/84/50/22/138845022.db2.gz NIFXPLCOYIRLGC-INIZCTEOSA-N 2 2 333.480 1.862 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329413699 296056358 /nfs/dbraw/zinc/05/63/58/296056358.db2.gz DUHQDEGYZXPMCP-INIZCTEOSA-N 2 2 332.448 1.759 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329413699 296056361 /nfs/dbraw/zinc/05/63/61/296056361.db2.gz DUHQDEGYZXPMCP-INIZCTEOSA-N 2 2 332.448 1.759 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333850616 284116155 /nfs/dbraw/zinc/11/61/55/284116155.db2.gz XEEAQIWAHANBFY-JJRVBVJISA-N 2 2 331.464 1.831 20 0 EDADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333850616 284116162 /nfs/dbraw/zinc/11/61/62/284116162.db2.gz XEEAQIWAHANBFY-JJRVBVJISA-N 2 2 331.464 1.831 20 0 EDADLP COc1c(Br)cccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415031389 304152488 /nfs/dbraw/zinc/15/24/88/304152488.db2.gz DYNSLNQIJCUGOH-LBPRGKRZSA-N 2 2 329.238 1.926 20 0 EDADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000236892710 139034326 /nfs/dbraw/zinc/03/43/26/139034326.db2.gz NMCSUGCIDQUCDA-ZJOBFFGXSA-N 2 2 334.464 1.685 20 0 EDADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2)CC1 ZINC000079076750 217188214 /nfs/dbraw/zinc/18/82/14/217188214.db2.gz ZRLAZNGKCAIBGZ-UHFFFAOYSA-N 2 2 341.402 1.930 20 0 EDADLP COCC[NH+]1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000237127344 139041473 /nfs/dbraw/zinc/04/14/73/139041473.db2.gz DANZDOTZYKDJIF-UHFFFAOYSA-N 2 2 331.460 1.098 20 0 EDADLP COCC[NH2+]CCNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000237281330 139046411 /nfs/dbraw/zinc/04/64/11/139046411.db2.gz CJNGVKBJDDUSGI-UHFFFAOYSA-N 2 2 336.461 1.228 20 0 EDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496815592 284341174 /nfs/dbraw/zinc/34/11/74/284341174.db2.gz NWPJFVIKFJUHAK-OAHLLOKOSA-N 2 2 341.496 1.774 20 0 EDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496815592 284341175 /nfs/dbraw/zinc/34/11/75/284341175.db2.gz NWPJFVIKFJUHAK-OAHLLOKOSA-N 2 2 341.496 1.774 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237422030 139050724 /nfs/dbraw/zinc/05/07/24/139050724.db2.gz XWIJQUSISPDJMP-ZBFHGGJFSA-N 2 2 334.489 1.382 20 0 EDADLP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000237524425 139053235 /nfs/dbraw/zinc/05/32/35/139053235.db2.gz UTYDUTGELPIJMQ-CQSZACIVSA-N 2 2 332.452 1.188 20 0 EDADLP C[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000237587422 139054785 /nfs/dbraw/zinc/05/47/85/139054785.db2.gz PUMKLOOBUFFGHZ-IEBWSBKVSA-N 2 2 331.460 1.393 20 0 EDADLP C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCC[NH2+]C1 ZINC000237587422 139054786 /nfs/dbraw/zinc/05/47/86/139054786.db2.gz PUMKLOOBUFFGHZ-IEBWSBKVSA-N 2 2 331.460 1.393 20 0 EDADLP C[C@@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000237588717 139054916 /nfs/dbraw/zinc/05/49/16/139054916.db2.gz ZPOGQIQUPDGTEV-PKOBYXMFSA-N 2 2 331.460 1.566 20 0 EDADLP [NH3+]C1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCCC1 ZINC000237891116 139062968 /nfs/dbraw/zinc/06/29/68/139062968.db2.gz HCEFSYYBACCCTK-UHFFFAOYSA-N 2 2 327.432 1.250 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081096323 217362142 /nfs/dbraw/zinc/36/21/42/217362142.db2.gz HROUTJNFIJFFQQ-ZBFHGGJFSA-N 2 2 347.459 1.694 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081096323 217362145 /nfs/dbraw/zinc/36/21/45/217362145.db2.gz HROUTJNFIJFFQQ-ZBFHGGJFSA-N 2 2 347.459 1.694 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081096323 217362148 /nfs/dbraw/zinc/36/21/48/217362148.db2.gz HROUTJNFIJFFQQ-ZBFHGGJFSA-N 2 2 347.459 1.694 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081096323 217362151 /nfs/dbraw/zinc/36/21/51/217362151.db2.gz HROUTJNFIJFFQQ-ZBFHGGJFSA-N 2 2 347.459 1.694 20 0 EDADLP [NH3+]Cc1nc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC000238040305 139067412 /nfs/dbraw/zinc/06/74/12/139067412.db2.gz ZZYJPUCFGWTOSQ-UHFFFAOYSA-N 2 2 346.456 1.364 20 0 EDADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000245432618 139074456 /nfs/dbraw/zinc/07/44/56/139074456.db2.gz OSXJEKYLATUYKP-BBWFWOEESA-N 2 2 338.496 1.223 20 0 EDADLP CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CCCC[NH3+])c2)CC1 ZINC000567826083 306464799 /nfs/dbraw/zinc/46/47/99/306464799.db2.gz OANPKWICKRFYDH-UHFFFAOYSA-N 2 2 332.448 1.418 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245963000 139091449 /nfs/dbraw/zinc/09/14/49/139091449.db2.gz MVGWSHNXLWFDQE-IIQAOJFUSA-N 2 2 336.524 1.532 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245963000 139091450 /nfs/dbraw/zinc/09/14/50/139091450.db2.gz MVGWSHNXLWFDQE-IIQAOJFUSA-N 2 2 336.524 1.532 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245963000 139091451 /nfs/dbraw/zinc/09/14/51/139091451.db2.gz MVGWSHNXLWFDQE-IIQAOJFUSA-N 2 2 336.524 1.532 20 0 EDADLP CC[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245963000 139091452 /nfs/dbraw/zinc/09/14/52/139091452.db2.gz MVGWSHNXLWFDQE-IIQAOJFUSA-N 2 2 336.524 1.532 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246122220 139095724 /nfs/dbraw/zinc/09/57/24/139095724.db2.gz HHMBKMINPXZESM-KGLIPLIRSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246122220 139095725 /nfs/dbraw/zinc/09/57/25/139095725.db2.gz HHMBKMINPXZESM-KGLIPLIRSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246122220 139095726 /nfs/dbraw/zinc/09/57/26/139095726.db2.gz HHMBKMINPXZESM-KGLIPLIRSA-N 2 2 332.448 1.386 20 0 EDADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246122220 139095727 /nfs/dbraw/zinc/09/57/27/139095727.db2.gz HHMBKMINPXZESM-KGLIPLIRSA-N 2 2 332.448 1.386 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000246230312 139100088 /nfs/dbraw/zinc/10/00/88/139100088.db2.gz HTHIMWNHIUSWMI-QGTPRVQTSA-N 2 2 331.460 1.005 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@H+]1C[C@H](C)O ZINC000246230312 139100089 /nfs/dbraw/zinc/10/00/89/139100089.db2.gz HTHIMWNHIUSWMI-QGTPRVQTSA-N 2 2 331.460 1.005 20 0 EDADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246987165 139129848 /nfs/dbraw/zinc/12/98/48/139129848.db2.gz KMFPHCPPAPDKFB-FUHWJXTLSA-N 3 2 331.508 1.653 20 0 EDADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246987165 139129849 /nfs/dbraw/zinc/12/98/49/139129849.db2.gz KMFPHCPPAPDKFB-FUHWJXTLSA-N 3 2 331.508 1.653 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247000992 139130768 /nfs/dbraw/zinc/13/07/68/139130768.db2.gz WWTOJCVFMJXCKB-YCPHGPKFSA-N 2 2 329.448 1.752 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247000992 139130769 /nfs/dbraw/zinc/13/07/69/139130769.db2.gz WWTOJCVFMJXCKB-YCPHGPKFSA-N 2 2 329.448 1.752 20 0 EDADLP C[C@H](C(=O)Nc1ncccn1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247000992 139130770 /nfs/dbraw/zinc/13/07/70/139130770.db2.gz WWTOJCVFMJXCKB-YCPHGPKFSA-N 2 2 329.448 1.752 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266041377 248056884 /nfs/dbraw/zinc/05/68/84/248056884.db2.gz WBTVCCPQEXCWOV-MOPGFXCFSA-N 2 2 348.487 1.697 20 0 EDADLP Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266041377 248056887 /nfs/dbraw/zinc/05/68/87/248056887.db2.gz WBTVCCPQEXCWOV-MOPGFXCFSA-N 2 2 348.487 1.697 20 0 EDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273424 139143220 /nfs/dbraw/zinc/14/32/20/139143220.db2.gz SJNUDQWHQNFHKW-XJKSGUPXSA-N 2 2 330.432 1.140 20 0 EDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273424 139143221 /nfs/dbraw/zinc/14/32/21/139143221.db2.gz SJNUDQWHQNFHKW-XJKSGUPXSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273424 139143222 /nfs/dbraw/zinc/14/32/22/139143222.db2.gz SJNUDQWHQNFHKW-XJKSGUPXSA-N 2 2 330.432 1.140 20 0 EDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273424 139143223 /nfs/dbraw/zinc/14/32/23/139143223.db2.gz SJNUDQWHQNFHKW-XJKSGUPXSA-N 2 2 330.432 1.140 20 0 EDADLP COC1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC[NH2+]CC1 ZINC000164680059 284673345 /nfs/dbraw/zinc/67/33/45/284673345.db2.gz WDBDPXRRBLEBGX-UHFFFAOYSA-N 2 2 346.475 1.847 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000248425924 139163277 /nfs/dbraw/zinc/16/32/77/139163277.db2.gz KAGRIHCRBGXOHP-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000248425924 139163278 /nfs/dbraw/zinc/16/32/78/139163278.db2.gz KAGRIHCRBGXOHP-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000248425924 139163279 /nfs/dbraw/zinc/16/32/79/139163279.db2.gz KAGRIHCRBGXOHP-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP CC[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000248425924 139163280 /nfs/dbraw/zinc/16/32/80/139163280.db2.gz KAGRIHCRBGXOHP-ZWKOTPCHSA-N 2 2 331.460 1.440 20 0 EDADLP C[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000415395733 304212819 /nfs/dbraw/zinc/21/28/19/304212819.db2.gz GCBIWOLDGVUCRI-UHFFFAOYSA-N 2 2 341.415 1.269 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000248837340 139177288 /nfs/dbraw/zinc/17/72/88/139177288.db2.gz HBMHVHDDLZOEQZ-BPQIPLTHSA-N 2 2 346.475 1.936 20 0 EDADLP C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000248837340 139177289 /nfs/dbraw/zinc/17/72/89/139177289.db2.gz HBMHVHDDLZOEQZ-BPQIPLTHSA-N 2 2 346.475 1.936 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@](C)([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000248883532 139179354 /nfs/dbraw/zinc/17/93/54/139179354.db2.gz LJVVFCFTQCNGLC-KHYOSLBOSA-N 2 2 333.476 1.865 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@](C)([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000248883532 139179355 /nfs/dbraw/zinc/17/93/55/139179355.db2.gz LJVVFCFTQCNGLC-KHYOSLBOSA-N 2 2 333.476 1.865 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4c(c(OC)c3)OCO4)C2)CC1 ZINC000093132640 218196884 /nfs/dbraw/zinc/19/68/84/218196884.db2.gz BYOALNFBQJBRKJ-MRXNPFEDSA-N 2 2 347.459 1.636 20 0 EDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4c(c(OC)c3)OCO4)C2)CC1 ZINC000093132640 218196888 /nfs/dbraw/zinc/19/68/88/218196888.db2.gz BYOALNFBQJBRKJ-MRXNPFEDSA-N 2 2 347.459 1.636 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249345110 139191518 /nfs/dbraw/zinc/19/15/18/139191518.db2.gz UAVPDVOSVBDECK-MTNOOBJLSA-N 2 2 345.487 1.875 20 0 EDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249345110 139191519 /nfs/dbraw/zinc/19/15/19/139191519.db2.gz UAVPDVOSVBDECK-MTNOOBJLSA-N 2 2 345.487 1.875 20 0 EDADLP C[C@@H](c1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1)[NH+]1CCOCC1 ZINC000261611439 139210883 /nfs/dbraw/zinc/21/08/83/139210883.db2.gz BGZQGKQXSVADAK-KBXCAEBGSA-N 2 2 347.459 1.772 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000261635226 139213129 /nfs/dbraw/zinc/21/31/29/139213129.db2.gz CCJATALBUGBMBK-KSZLIROESA-N 2 2 331.460 1.694 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000261737250 139221856 /nfs/dbraw/zinc/22/18/56/139221856.db2.gz LMWMXULRARRSGH-TXCZRRACSA-N 2 2 346.475 1.829 20 0 EDADLP COc1ccc(CCNC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261786738 139226022 /nfs/dbraw/zinc/22/60/22/139226022.db2.gz NHCWLKXALNAGHG-GOSISDBHSA-N 2 2 335.448 1.033 20 0 EDADLP COc1ccc(CCNC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261786738 139226023 /nfs/dbraw/zinc/22/60/23/139226023.db2.gz NHCWLKXALNAGHG-GOSISDBHSA-N 2 2 335.448 1.033 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261806928 139227661 /nfs/dbraw/zinc/22/76/61/139227661.db2.gz WMFLEBIERZUARG-YVEFUNNKSA-N 2 2 325.403 1.683 20 0 EDADLP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261806928 139227662 /nfs/dbraw/zinc/22/76/62/139227662.db2.gz WMFLEBIERZUARG-YVEFUNNKSA-N 2 2 325.403 1.683 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000261988062 139242080 /nfs/dbraw/zinc/24/20/80/139242080.db2.gz JYBJHZQRMNNCJJ-MRXNPFEDSA-N 3 2 342.447 1.087 20 0 EDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000261988062 139242081 /nfs/dbraw/zinc/24/20/81/139242081.db2.gz JYBJHZQRMNNCJJ-MRXNPFEDSA-N 3 2 342.447 1.087 20 0 EDADLP O=C(CC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000262176037 139257446 /nfs/dbraw/zinc/25/74/46/139257446.db2.gz QQWFZMLIFNIKHH-INIZCTEOSA-N 2 2 339.386 1.160 20 0 EDADLP O=C(CC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000262176037 139257447 /nfs/dbraw/zinc/25/74/47/139257447.db2.gz QQWFZMLIFNIKHH-INIZCTEOSA-N 2 2 339.386 1.160 20 0 EDADLP COC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000262217610 139260874 /nfs/dbraw/zinc/26/08/74/139260874.db2.gz FJTWSDCDQCJXAA-JKSUJKDBSA-N 2 2 335.448 1.312 20 0 EDADLP CC[N@H+](CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000416873424 251114312 /nfs/dbraw/zinc/11/43/12/251114312.db2.gz NRLIFVNPLMUSNT-KRWDZBQOSA-N 2 2 334.464 1.581 20 0 EDADLP CC[N@@H+](CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000416873424 251114316 /nfs/dbraw/zinc/11/43/16/251114316.db2.gz NRLIFVNPLMUSNT-KRWDZBQOSA-N 2 2 334.464 1.581 20 0 EDADLP CC[N@H+](CCCNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000416875972 251115423 /nfs/dbraw/zinc/11/54/23/251115423.db2.gz RQRPLAKLRPYVMW-UHFFFAOYSA-N 2 2 332.448 1.287 20 0 EDADLP CC[N@@H+](CCCNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000416875972 251115427 /nfs/dbraw/zinc/11/54/27/251115427.db2.gz RQRPLAKLRPYVMW-UHFFFAOYSA-N 2 2 332.448 1.287 20 0 EDADLP O=C(NCC[C@H]1CC[NH2+]C1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000417003041 251127157 /nfs/dbraw/zinc/12/71/57/251127157.db2.gz XPSGVDVPRKATHA-OAHLLOKOSA-N 2 2 327.432 1.730 20 0 EDADLP Cc1cccc([C@H](CNC(=O)NC[C@H]([NH3+])C2CC2)[NH+]2CCOCC2)c1 ZINC000416996426 251123373 /nfs/dbraw/zinc/12/33/73/251123373.db2.gz MROMADINPIXJIP-ROUUACIJSA-N 2 2 346.475 1.405 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+][C@@H](C)C3)c[nH+]2)C[C@@H](C)O1 ZINC000416997067 251123708 /nfs/dbraw/zinc/12/37/08/251123708.db2.gz XKNDQOCBKCWKQS-RRFJBIMHSA-N 2 2 347.463 1.199 20 0 EDADLP CC(C)Cc1noc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262311482 139269011 /nfs/dbraw/zinc/26/90/11/139269011.db2.gz YYOXHCJYEVCYJR-CABCVRRESA-N 2 2 349.479 1.348 20 0 EDADLP CC(C)Cc1noc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000262311482 139269012 /nfs/dbraw/zinc/26/90/12/139269012.db2.gz YYOXHCJYEVCYJR-CABCVRRESA-N 2 2 349.479 1.348 20 0 EDADLP CCN1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000262359956 139272935 /nfs/dbraw/zinc/27/29/35/139272935.db2.gz KFLDRNBDAUGROF-GOSISDBHSA-N 2 2 346.475 1.141 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)c1c(F)cccc1F ZINC000417658948 251216336 /nfs/dbraw/zinc/21/63/36/251216336.db2.gz KMLGLBCOGRYOEO-HNNXBMFYSA-N 2 2 340.418 1.948 20 0 EDADLP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000417828196 251287112 /nfs/dbraw/zinc/28/71/12/251287112.db2.gz OLHHSXPKYBHUAJ-MCIONIFRSA-N 2 2 340.493 1.465 20 0 EDADLP C[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000417838111 251291619 /nfs/dbraw/zinc/29/16/19/251291619.db2.gz VTFSGZHLMXLFDY-STQMWFEESA-N 2 2 326.466 1.029 20 0 EDADLP C[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000417838111 251291623 /nfs/dbraw/zinc/29/16/23/251291623.db2.gz VTFSGZHLMXLFDY-STQMWFEESA-N 2 2 326.466 1.029 20 0 EDADLP CCn1cncc1C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000417805297 251277487 /nfs/dbraw/zinc/27/74/87/251277487.db2.gz ZSVYYAULYRYPSE-UHFFFAOYSA-N 2 2 347.507 1.669 20 0 EDADLP C[C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C1C[NH2+]C1 ZINC000262583159 139288231 /nfs/dbraw/zinc/28/82/31/139288231.db2.gz UVSDBZULAAENGZ-AWEZNQCLSA-N 2 2 344.459 1.061 20 0 EDADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000262791059 139303775 /nfs/dbraw/zinc/30/37/75/139303775.db2.gz NFWOHWUTMAWIEP-JYJNAYRXSA-N 2 2 348.466 1.545 20 0 EDADLP C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422881676 252010860 /nfs/dbraw/zinc/01/08/60/252010860.db2.gz QZCFVDWDYWLCBB-QITLCBANSA-N 2 2 330.432 1.361 20 0 EDADLP c1cnn(Cc2ccccc2C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422798036 251981387 /nfs/dbraw/zinc/98/13/87/251981387.db2.gz PMCHZXFVJPKEBQ-RTBURBONSA-N 2 2 326.444 1.788 20 0 EDADLP CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000423155748 252039354 /nfs/dbraw/zinc/03/93/54/252039354.db2.gz QXHPOFNASPSXSD-SJORKVTESA-N 2 2 339.505 1.947 20 0 EDADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000423415030 252053923 /nfs/dbraw/zinc/05/39/23/252053923.db2.gz DDFBUIGBLWPULN-BBRMVZONSA-N 2 2 341.477 1.014 20 0 EDADLP O=C(C[C@@H]1COCC[NH2+]1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423855318 252092081 /nfs/dbraw/zinc/09/20/81/252092081.db2.gz WKYXZCMMNKQGKZ-OAHLLOKOSA-N 2 2 338.411 1.919 20 0 EDADLP CC[N@H+](CC(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1Cl ZINC000424031365 252120299 /nfs/dbraw/zinc/12/02/99/252120299.db2.gz ZWVUJCIGXINPOR-HNNXBMFYSA-N 2 2 339.867 1.738 20 0 EDADLP CC[N@@H+](CC(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1Cl ZINC000424031365 252120302 /nfs/dbraw/zinc/12/03/02/252120302.db2.gz ZWVUJCIGXINPOR-HNNXBMFYSA-N 2 2 339.867 1.738 20 0 EDADLP Cc1ccc([C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000423794859 252077918 /nfs/dbraw/zinc/07/79/18/252077918.db2.gz KEKYVTDJBFSXFW-KRWDZBQOSA-N 2 2 333.476 1.812 20 0 EDADLP COCC[C@@]1(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC[NH2+]C1 ZINC000423804573 252082776 /nfs/dbraw/zinc/08/27/76/252082776.db2.gz SJVAAJCULFSBRU-QAPCUYQASA-N 2 2 334.464 1.217 20 0 EDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262937605 139313924 /nfs/dbraw/zinc/31/39/24/139313924.db2.gz ILPQJDZYAHQONQ-HUUCEWRRSA-N 2 2 339.386 1.001 20 0 EDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262937605 139313925 /nfs/dbraw/zinc/31/39/25/139313925.db2.gz ILPQJDZYAHQONQ-HUUCEWRRSA-N 2 2 339.386 1.001 20 0 EDADLP O=C(C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)Nc1nccs1 ZINC000424295263 252192205 /nfs/dbraw/zinc/19/22/05/252192205.db2.gz RALIPONDJNVTPJ-UHFFFAOYSA-N 2 2 332.433 1.218 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000424299498 252192289 /nfs/dbraw/zinc/19/22/89/252192289.db2.gz FAZHZGOUCBVKDG-GBJTYRQASA-N 2 2 333.432 1.191 20 0 EDADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000425054890 252295902 /nfs/dbraw/zinc/29/59/02/252295902.db2.gz FUQXXJCHCSGTEG-OTWHNJEPSA-N 2 2 343.471 1.440 20 0 EDADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000425054890 252295906 /nfs/dbraw/zinc/29/59/06/252295906.db2.gz FUQXXJCHCSGTEG-OTWHNJEPSA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000425054890 252295909 /nfs/dbraw/zinc/29/59/09/252295909.db2.gz FUQXXJCHCSGTEG-OTWHNJEPSA-N 2 2 343.471 1.440 20 0 EDADLP C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)[C@@H]2C1 ZINC000425054890 252295913 /nfs/dbraw/zinc/29/59/13/252295913.db2.gz FUQXXJCHCSGTEG-OTWHNJEPSA-N 2 2 343.471 1.440 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H](C)n3cccn3)CC2)CC1 ZINC000424895158 252282273 /nfs/dbraw/zinc/28/22/73/252282273.db2.gz RNBUGXDENWZZHN-QGZVFWFLSA-N 2 2 347.507 1.853 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H](C)n3cccn3)CC2)CC1 ZINC000424895158 252282275 /nfs/dbraw/zinc/28/22/75/252282275.db2.gz RNBUGXDENWZZHN-QGZVFWFLSA-N 2 2 347.507 1.853 20 0 EDADLP O=C1C[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CN1CC[NH+]1CCOCC1 ZINC000181033757 296343818 /nfs/dbraw/zinc/34/38/18/296343818.db2.gz UFGKVZWRXYSATG-RCCFBDPRSA-N 2 2 335.492 1.478 20 0 EDADLP O=S1(=O)CC[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000328641064 285064794 /nfs/dbraw/zinc/06/47/94/285064794.db2.gz CZJKCBDOLJHMTB-GJZGRUSLSA-N 2 2 337.489 1.834 20 0 EDADLP O=S1(=O)CC[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000328641064 285064795 /nfs/dbraw/zinc/06/47/95/285064795.db2.gz CZJKCBDOLJHMTB-GJZGRUSLSA-N 2 2 337.489 1.834 20 0 EDADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000415722640 304261457 /nfs/dbraw/zinc/26/14/57/304261457.db2.gz CPSFEAZOJQMRQR-WBMJQRKESA-N 2 2 340.383 1.761 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245651945 285203037 /nfs/dbraw/zinc/20/30/37/285203037.db2.gz CAFNRKHLLHWSLT-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245651945 285203040 /nfs/dbraw/zinc/20/30/40/285203040.db2.gz CAFNRKHLLHWSLT-IRXDYDNUSA-N 2 2 338.496 1.367 20 0 EDADLP c1cc2c(nc[nH+]c2NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000263753025 139357809 /nfs/dbraw/zinc/35/78/09/139357809.db2.gz GTYYHTJEFFPQSY-UHFFFAOYSA-N 3 2 337.431 1.977 20 0 EDADLP Cc1nc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nc(N(C)C)[nH+]1 ZINC000488441306 255044432 /nfs/dbraw/zinc/04/44/32/255044432.db2.gz RSOOTUOSSWKEST-GASCZTMLSA-N 2 2 347.511 1.241 20 0 EDADLP Cc1nc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nc(N(C)C)[nH+]1 ZINC000488441306 255044434 /nfs/dbraw/zinc/04/44/34/255044434.db2.gz RSOOTUOSSWKEST-GASCZTMLSA-N 2 2 347.511 1.241 20 0 EDADLP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000154281535 224230871 /nfs/dbraw/zinc/23/08/71/224230871.db2.gz IIBGSQOWWMIELD-JWTNVVGKSA-N 2 2 328.460 1.773 20 0 EDADLP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000154281535 224230874 /nfs/dbraw/zinc/23/08/74/224230874.db2.gz IIBGSQOWWMIELD-JWTNVVGKSA-N 2 2 328.460 1.773 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000492192631 255161571 /nfs/dbraw/zinc/16/15/71/255161571.db2.gz IDTAVUSBYLLZFY-HNNXBMFYSA-N 2 2 340.512 1.706 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000492192631 255161572 /nfs/dbraw/zinc/16/15/72/255161572.db2.gz IDTAVUSBYLLZFY-HNNXBMFYSA-N 2 2 340.512 1.706 20 0 EDADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCC[NH+]1CCC(O)CC1 ZINC000493466940 255210067 /nfs/dbraw/zinc/21/00/67/255210067.db2.gz OFWUYTYGRVFBPV-ZZXKWVIFSA-N 2 2 340.427 1.458 20 0 EDADLP C[C@H]([NH2+][C@H]1CCC[C@@]1(C)CO)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000493711849 255219760 /nfs/dbraw/zinc/21/97/60/255219760.db2.gz UTYINLJIXCBQBT-BXWFABGCSA-N 2 2 346.475 1.259 20 0 EDADLP C[NH+](C)C1CCN(c2ccc(NC(=O)C=Cc3c[nH]c[nH+]3)nc2)CC1 ZINC000493862560 255223832 /nfs/dbraw/zinc/22/38/32/255223832.db2.gz YOXOQKBPPQGMDX-UTCJRWHESA-N 2 2 340.431 1.987 20 0 EDADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000495190885 255272066 /nfs/dbraw/zinc/27/20/66/255272066.db2.gz LIOPZDQGBBUIEM-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000495190885 255272067 /nfs/dbraw/zinc/27/20/67/255272067.db2.gz LIOPZDQGBBUIEM-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000495190885 255272068 /nfs/dbraw/zinc/27/20/68/255272068.db2.gz LIOPZDQGBBUIEM-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000495190885 255272069 /nfs/dbraw/zinc/27/20/69/255272069.db2.gz LIOPZDQGBBUIEM-DOTOQJQBSA-N 2 2 338.496 1.413 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000495235097 255274814 /nfs/dbraw/zinc/27/48/14/255274814.db2.gz YOBNRNPMKRTGTF-JKSUJKDBSA-N 2 2 342.528 1.763 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCO1 ZINC000495235097 255274815 /nfs/dbraw/zinc/27/48/15/255274815.db2.gz YOBNRNPMKRTGTF-JKSUJKDBSA-N 2 2 342.528 1.763 20 0 EDADLP CN(C)c1cc(NC(=O)N2CCC[C@@H]([NH3+])C2)[nH+]cc1Br ZINC000415789494 304271593 /nfs/dbraw/zinc/27/15/93/304271593.db2.gz NFRDSKPOHVFTDL-SECBINFHSA-N 2 2 342.241 1.865 20 0 EDADLP Cc1cc(N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nc(C)[nH+]1 ZINC000495570949 255302969 /nfs/dbraw/zinc/30/29/69/255302969.db2.gz YERWLHNNODANMC-CQSZACIVSA-N 2 2 335.452 1.739 20 0 EDADLP Cc1cc(N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nc(C)[nH+]1 ZINC000495570949 255302970 /nfs/dbraw/zinc/30/29/70/255302970.db2.gz YERWLHNNODANMC-CQSZACIVSA-N 2 2 335.452 1.739 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495616032 255310389 /nfs/dbraw/zinc/31/03/89/255310389.db2.gz KHZJJDIJNUVMLC-HIFRSBDPSA-N 2 2 326.485 1.077 20 0 EDADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495616032 255310390 /nfs/dbraw/zinc/31/03/90/255310390.db2.gz KHZJJDIJNUVMLC-HIFRSBDPSA-N 2 2 326.485 1.077 20 0 EDADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000495852499 255331500 /nfs/dbraw/zinc/33/15/00/255331500.db2.gz XMSYFFMENCWFSM-QGZVFWFLSA-N 2 2 338.452 1.865 20 0 EDADLP CSC[C@@H](O)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000570443826 306542589 /nfs/dbraw/zinc/54/25/89/306542589.db2.gz DZLIAPXHQYLKNI-INIZCTEOSA-N 2 2 340.489 1.211 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000264013188 139375716 /nfs/dbraw/zinc/37/57/16/139375716.db2.gz LTOSFDMJYWDQGS-BBRMVZONSA-N 2 2 345.422 1.994 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117762192 221087572 /nfs/dbraw/zinc/08/75/72/221087572.db2.gz YGHIRADGGKEDEG-CVEARBPZSA-N 2 2 348.466 1.404 20 0 EDADLP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117762192 221087576 /nfs/dbraw/zinc/08/75/76/221087576.db2.gz YGHIRADGGKEDEG-CVEARBPZSA-N 2 2 348.466 1.404 20 0 EDADLP CC[N@H+](CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000118121480 221123839 /nfs/dbraw/zinc/12/38/39/221123839.db2.gz OHYUGTLVHMAOEI-UHFFFAOYSA-N 2 2 341.415 1.411 20 0 EDADLP CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000118121480 221123841 /nfs/dbraw/zinc/12/38/41/221123841.db2.gz OHYUGTLVHMAOEI-UHFFFAOYSA-N 2 2 341.415 1.411 20 0 EDADLP C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000118808974 221187216 /nfs/dbraw/zinc/18/72/16/221187216.db2.gz RCERIDJJGXWMEG-MRXNPFEDSA-N 2 2 346.475 1.934 20 0 EDADLP Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)c(C)[nH+]1 ZINC000154809060 224308632 /nfs/dbraw/zinc/30/86/32/224308632.db2.gz BLOBLFORMIOSPT-UHFFFAOYSA-N 2 2 330.432 1.724 20 0 EDADLP Cc1cc(NC(=O)NCCCC[NH+]2CCC(C(N)=O)CC2)cc[nH+]1 ZINC000119148663 221253537 /nfs/dbraw/zinc/25/35/37/221253537.db2.gz DIYMENGDXDZQFD-UHFFFAOYSA-N 2 2 333.436 1.489 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000119627274 221362368 /nfs/dbraw/zinc/36/23/68/221362368.db2.gz QUYCOKVOVBTIHR-ZDUSSCGKSA-N 2 2 348.447 1.655 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000119627274 221362372 /nfs/dbraw/zinc/36/23/72/221362372.db2.gz QUYCOKVOVBTIHR-ZDUSSCGKSA-N 2 2 348.447 1.655 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+]3CCC(n4cc[nH+]c4)CC3)C2=O)cn1 ZINC000119637209 221365446 /nfs/dbraw/zinc/36/54/46/221365446.db2.gz CQFNBPKRNHCMDD-INIZCTEOSA-N 2 2 328.420 1.449 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119706316 221383056 /nfs/dbraw/zinc/38/30/56/221383056.db2.gz ADMBCLAGJVJLBC-HTUJPFKRSA-N 2 2 348.535 1.630 20 0 EDADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119706316 221383059 /nfs/dbraw/zinc/38/30/59/221383059.db2.gz ADMBCLAGJVJLBC-HTUJPFKRSA-N 2 2 348.535 1.630 20 0 EDADLP C[C@H]1CCCCN1C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119706316 221383062 /nfs/dbraw/zinc/38/30/62/221383062.db2.gz ADMBCLAGJVJLBC-HTUJPFKRSA-N 2 2 348.535 1.630 20 0 EDADLP C[C@H]1CCCCN1C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119706316 221383064 /nfs/dbraw/zinc/38/30/64/221383064.db2.gz ADMBCLAGJVJLBC-HTUJPFKRSA-N 2 2 348.535 1.630 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000571180706 306560141 /nfs/dbraw/zinc/56/01/41/306560141.db2.gz NVDHIJYUPJRTCU-UHFFFAOYSA-N 3 2 345.491 1.480 20 0 EDADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000571683233 306571901 /nfs/dbraw/zinc/57/19/01/306571901.db2.gz GVDXQEZQVVUXSE-WMLDXEAASA-N 2 2 338.411 1.917 20 0 EDADLP COC(=O)CC1([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000571689282 306572005 /nfs/dbraw/zinc/57/20/05/306572005.db2.gz PABMHIOLFWYABR-UHFFFAOYSA-N 2 2 331.460 1.884 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@](C)(O)c2ccccc2)CC1 ZINC000270332549 140080869 /nfs/dbraw/zinc/08/08/69/140080869.db2.gz DVHYYYZAZMTZKT-IBGZPJMESA-N 2 2 348.491 1.219 20 0 EDADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1Cc2ccccc2C1 ZINC000270381191 140089632 /nfs/dbraw/zinc/08/96/32/140089632.db2.gz KHBXNYRXZWASSU-UHFFFAOYSA-N 2 2 344.503 1.821 20 0 EDADLP Cc1nc(Cl)ccc1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000270831473 140178379 /nfs/dbraw/zinc/17/83/79/140178379.db2.gz HPYDDUWQSQYQSI-UHFFFAOYSA-N 2 2 338.883 1.728 20 0 EDADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(S(N)(=O)=O)c1 ZINC000271621697 140321962 /nfs/dbraw/zinc/32/19/62/140321962.db2.gz BRBJDWRLYUKWGE-CYBMUJFWSA-N 2 2 334.445 1.882 20 0 EDADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000332336474 141164720 /nfs/dbraw/zinc/16/47/20/141164720.db2.gz NUXPATJXMULQDU-DJIMGWMZSA-N 2 2 338.496 1.399 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000332461030 141185895 /nfs/dbraw/zinc/18/58/95/141185895.db2.gz HSWLJZKSHHQLJD-GOSISDBHSA-N 2 2 331.460 1.179 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000332461030 141185896 /nfs/dbraw/zinc/18/58/96/141185896.db2.gz HSWLJZKSHHQLJD-GOSISDBHSA-N 2 2 331.460 1.179 20 0 EDADLP Cc1cc(C)c(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(C)[nH+]1 ZINC000332650143 141223019 /nfs/dbraw/zinc/22/30/19/141223019.db2.gz YGIQWWNMOJXTLM-KRWDZBQOSA-N 2 2 336.436 1.212 20 0 EDADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000333137893 141270355 /nfs/dbraw/zinc/27/03/55/141270355.db2.gz BVZCOLQEPFNNFV-SOUVJXGZSA-N 2 2 345.491 1.999 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)s1 ZINC000333630123 141347521 /nfs/dbraw/zinc/34/75/21/141347521.db2.gz GMKAUIQQZDWLST-AWEZNQCLSA-N 2 2 337.493 1.421 20 0 EDADLP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3C[N@H+](C)CCO3)n2)CC1 ZINC000333713457 141363783 /nfs/dbraw/zinc/36/37/83/141363783.db2.gz SRIDZWXVSKRWKL-MRXNPFEDSA-N 2 2 343.431 1.492 20 0 EDADLP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3C[N@@H+](C)CCO3)n2)CC1 ZINC000333713457 141363785 /nfs/dbraw/zinc/36/37/85/141363785.db2.gz SRIDZWXVSKRWKL-MRXNPFEDSA-N 2 2 343.431 1.492 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1c1ccccc1 ZINC000333737169 141369676 /nfs/dbraw/zinc/36/96/76/141369676.db2.gz ILWPNTPXEHAQRY-QLFBSQMISA-N 2 2 325.416 1.403 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1c1ccccc1 ZINC000333737169 141369679 /nfs/dbraw/zinc/36/96/79/141369679.db2.gz ILWPNTPXEHAQRY-QLFBSQMISA-N 2 2 325.416 1.403 20 0 EDADLP C[C@H](Cc1cccc(O)c1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340248765 142318868 /nfs/dbraw/zinc/31/88/68/142318868.db2.gz IZVDCJIZYVJSIY-OAHLLOKOSA-N 2 2 348.491 1.648 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000340269379 142325995 /nfs/dbraw/zinc/32/59/95/142325995.db2.gz UWWUTHRHYHVECY-CQSZACIVSA-N 2 2 347.463 1.106 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000340269379 142325996 /nfs/dbraw/zinc/32/59/96/142325996.db2.gz UWWUTHRHYHVECY-CQSZACIVSA-N 2 2 347.463 1.106 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000340288120 142330763 /nfs/dbraw/zinc/33/07/63/142330763.db2.gz LPRKZMLYRSBGOX-MSOLQXFVSA-N 2 2 338.540 1.782 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000340288120 142330766 /nfs/dbraw/zinc/33/07/66/142330766.db2.gz LPRKZMLYRSBGOX-MSOLQXFVSA-N 2 2 338.540 1.782 20 0 EDADLP COC(=O)c1occc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000344964479 143031887 /nfs/dbraw/zinc/03/18/87/143031887.db2.gz FRPJSZOJRVKNTR-CZUORRHYSA-N 2 2 346.431 1.972 20 0 EDADLP COC(=O)c1occc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000344964479 143031888 /nfs/dbraw/zinc/03/18/88/143031888.db2.gz FRPJSZOJRVKNTR-CZUORRHYSA-N 2 2 346.431 1.972 20 0 EDADLP CNC(=O)[C@@H]1C[N@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC000345039549 143042465 /nfs/dbraw/zinc/04/24/65/143042465.db2.gz XAVADLKITAFODB-ZWKOTPCHSA-N 2 2 341.459 1.518 20 0 EDADLP CNC(=O)[C@@H]1C[N@@H+](CCCc2ccc(C)[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC000345039549 143042466 /nfs/dbraw/zinc/04/24/66/143042466.db2.gz XAVADLKITAFODB-ZWKOTPCHSA-N 2 2 341.459 1.518 20 0 EDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccn(C(F)F)n2)C1)[C@H]1CCC[NH2+]1 ZINC000346657910 143227593 /nfs/dbraw/zinc/22/75/93/143227593.db2.gz HHGNHSKCVPBSRQ-GXTWGEPZSA-N 2 2 341.406 1.358 20 0 EDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccn(C(F)F)n2)C1)[C@H]1CCC[NH2+]1 ZINC000346657910 143227594 /nfs/dbraw/zinc/22/75/94/143227594.db2.gz HHGNHSKCVPBSRQ-GXTWGEPZSA-N 2 2 341.406 1.358 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000346776162 143244621 /nfs/dbraw/zinc/24/46/21/143244621.db2.gz ZARSLIQBYBGGKO-UHFFFAOYSA-N 2 2 340.512 1.023 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000346776162 143244622 /nfs/dbraw/zinc/24/46/22/143244622.db2.gz ZARSLIQBYBGGKO-UHFFFAOYSA-N 2 2 340.512 1.023 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000347113239 143284131 /nfs/dbraw/zinc/28/41/31/143284131.db2.gz RDQCMJMBHWRODE-UHFFFAOYSA-N 2 2 349.385 1.219 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000347113239 143284132 /nfs/dbraw/zinc/28/41/32/143284132.db2.gz RDQCMJMBHWRODE-UHFFFAOYSA-N 2 2 349.385 1.219 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000347278469 143303052 /nfs/dbraw/zinc/30/30/52/143303052.db2.gz VNGDKRCXJBPDIM-NZSAHSFTSA-N 3 2 346.519 1.348 20 0 EDADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@H+]1C ZINC000347278469 143303053 /nfs/dbraw/zinc/30/30/53/143303053.db2.gz VNGDKRCXJBPDIM-NZSAHSFTSA-N 3 2 346.519 1.348 20 0 EDADLP COC1CC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000347354068 143312055 /nfs/dbraw/zinc/31/20/55/143312055.db2.gz GDVKWJWJYUJZHP-FHERZECASA-N 2 2 347.463 1.049 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000347609502 143340599 /nfs/dbraw/zinc/34/05/99/143340599.db2.gz WHNHGQSOWHUESJ-GGPKGHCWSA-N 2 2 347.503 1.274 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000347609502 143340600 /nfs/dbraw/zinc/34/06/00/143340600.db2.gz WHNHGQSOWHUESJ-GGPKGHCWSA-N 2 2 347.503 1.274 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncnc3c2C[N@H+](C)CC3)C1 ZINC000347907237 143377845 /nfs/dbraw/zinc/37/78/45/143377845.db2.gz UZYJQEJNIJOVOL-GJZGRUSLSA-N 2 2 331.464 1.154 20 0 EDADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ncnc3c2C[N@@H+](C)CC3)C1 ZINC000347907237 143377846 /nfs/dbraw/zinc/37/78/46/143377846.db2.gz UZYJQEJNIJOVOL-GJZGRUSLSA-N 2 2 331.464 1.154 20 0 EDADLP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)C2 ZINC000369812305 155187631 /nfs/dbraw/zinc/18/76/31/155187631.db2.gz XLBKXPMDVNDJCM-RDJZCZTQSA-N 2 2 334.464 1.416 20 0 EDADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369841778 155198655 /nfs/dbraw/zinc/19/86/55/155198655.db2.gz HYPOAGXKKXDADW-DLBZAZTESA-N 2 2 349.479 1.212 20 0 EDADLP Fc1cccc(N2CCCC2)c1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352693700 149119460 /nfs/dbraw/zinc/11/94/60/149119460.db2.gz LZUDNOYFYQDTRJ-INIZCTEOSA-N 2 2 332.467 1.905 20 0 EDADLP CCN(CC)C(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352720120 149128191 /nfs/dbraw/zinc/12/81/91/149128191.db2.gz RPDRYCUPXAHGAD-UHFFFAOYSA-N 2 2 346.519 1.604 20 0 EDADLP CCN(CC)C(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352720120 149128195 /nfs/dbraw/zinc/12/81/95/149128195.db2.gz RPDRYCUPXAHGAD-UHFFFAOYSA-N 2 2 346.519 1.604 20 0 EDADLP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](C)CCO1)Cc1ccccc1Cl ZINC000352795834 149169495 /nfs/dbraw/zinc/16/94/95/149169495.db2.gz KZISTTQZIRRGAR-OAHLLOKOSA-N 2 2 339.867 1.609 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](C)CCO1)Cc1ccccc1Cl ZINC000352795834 149169498 /nfs/dbraw/zinc/16/94/98/149169498.db2.gz KZISTTQZIRRGAR-OAHLLOKOSA-N 2 2 339.867 1.609 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1Cl ZINC000352795834 149169500 /nfs/dbraw/zinc/16/95/00/149169500.db2.gz KZISTTQZIRRGAR-OAHLLOKOSA-N 2 2 339.867 1.609 20 0 EDADLP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1Cl ZINC000352795834 149169503 /nfs/dbraw/zinc/16/95/03/149169503.db2.gz KZISTTQZIRRGAR-OAHLLOKOSA-N 2 2 339.867 1.609 20 0 EDADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353405783 149393985 /nfs/dbraw/zinc/39/39/85/149393985.db2.gz WMCCBQFATRGMMM-ZWKOTPCHSA-N 2 2 329.444 1.200 20 0 EDADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000416975292 304358890 /nfs/dbraw/zinc/35/88/90/304358890.db2.gz NOHHTTOTMYJSLI-HOCLYGCPSA-N 2 2 331.464 1.951 20 0 EDADLP COCc1ccc(C[NH2+]C[C@H]2C[C@@H](F)CN2Cc2[nH+]ccn2C)o1 ZINC000354865026 150001265 /nfs/dbraw/zinc/00/12/65/150001265.db2.gz QOZSHSWDTCYBRX-ZIAGYGMSSA-N 2 2 336.411 1.862 20 0 EDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000354869127 150003415 /nfs/dbraw/zinc/00/34/15/150003415.db2.gz WIIIEEMGAPTWFA-DZGCQCFKSA-N 2 2 349.458 1.469 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1 ZINC000354973895 150062151 /nfs/dbraw/zinc/06/21/51/150062151.db2.gz XBNFYPVPZAZAJM-HZPDHXFCSA-N 2 2 335.496 1.841 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc3n2CCCC3)[C@H](C)C1 ZINC000354973895 150062152 /nfs/dbraw/zinc/06/21/52/150062152.db2.gz XBNFYPVPZAZAJM-HZPDHXFCSA-N 2 2 335.496 1.841 20 0 EDADLP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(n3ccnn3)C2)CC1 ZINC000354996634 150068931 /nfs/dbraw/zinc/06/89/31/150068931.db2.gz GYWMYJCKPDQVNU-UHFFFAOYSA-N 2 2 340.475 1.867 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000355070255 150103306 /nfs/dbraw/zinc/10/33/06/150103306.db2.gz OOXCNEPZSUNNPX-DLBZAZTESA-N 2 2 336.524 1.345 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000355070255 150103309 /nfs/dbraw/zinc/10/33/09/150103309.db2.gz OOXCNEPZSUNNPX-DLBZAZTESA-N 2 2 336.524 1.345 20 0 EDADLP COCC[C@@H](C)NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355109918 150120565 /nfs/dbraw/zinc/12/05/65/150120565.db2.gz PXGMZNYSIATPMA-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP COCC[C@@H](C)NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355109918 150120568 /nfs/dbraw/zinc/12/05/68/150120568.db2.gz PXGMZNYSIATPMA-HUUCEWRRSA-N 2 2 326.485 1.221 20 0 EDADLP C[C@H]1CCN(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C[C@@H]1C[NH3+] ZINC000416985322 304361507 /nfs/dbraw/zinc/36/15/07/304361507.db2.gz QADFUOMUYXAMAA-HOCLYGCPSA-N 2 2 347.463 1.045 20 0 EDADLP Cc1nc(N2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)cc[nH+]1 ZINC000355375210 150240205 /nfs/dbraw/zinc/24/02/05/150240205.db2.gz WOOMUZBRFIWKJQ-UHFFFAOYSA-N 2 2 335.415 1.688 20 0 EDADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355457499 150276899 /nfs/dbraw/zinc/27/68/99/150276899.db2.gz PPPRKOKXSXSYMI-FUHWJXTLSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000355457499 150276902 /nfs/dbraw/zinc/27/69/02/150276902.db2.gz PPPRKOKXSXSYMI-FUHWJXTLSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(N[C@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000355457499 150276903 /nfs/dbraw/zinc/27/69/03/150276903.db2.gz PPPRKOKXSXSYMI-FUHWJXTLSA-N 2 2 329.444 1.240 20 0 EDADLP O=C(N[C@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000355457499 150276906 /nfs/dbraw/zinc/27/69/06/150276906.db2.gz PPPRKOKXSXSYMI-FUHWJXTLSA-N 2 2 329.444 1.240 20 0 EDADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000355661133 150353736 /nfs/dbraw/zinc/35/37/36/150353736.db2.gz RJWRXSCQIIVJGH-UHFFFAOYSA-N 2 2 326.400 1.511 20 0 EDADLP C[NH+](C)Cc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000355701131 150365753 /nfs/dbraw/zinc/36/57/53/150365753.db2.gz NLXKUJMRTHVAAX-UHFFFAOYSA-N 2 2 344.415 1.821 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647771 151100419 /nfs/dbraw/zinc/10/04/19/151100419.db2.gz KZLGENBRQQYVPR-LBPRGKRZSA-N 2 2 340.855 1.451 20 0 EDADLP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647771 151100421 /nfs/dbraw/zinc/10/04/21/151100421.db2.gz KZLGENBRQQYVPR-LBPRGKRZSA-N 2 2 340.855 1.451 20 0 EDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000357720188 151124429 /nfs/dbraw/zinc/12/44/29/151124429.db2.gz FIESVXAJFCVUAK-AWEZNQCLSA-N 2 2 337.439 1.931 20 0 EDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000357720188 151124430 /nfs/dbraw/zinc/12/44/30/151124430.db2.gz FIESVXAJFCVUAK-AWEZNQCLSA-N 2 2 337.439 1.931 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000357719627 151124484 /nfs/dbraw/zinc/12/44/84/151124484.db2.gz BWEKVTIBZXXXTP-OWCLPIDISA-N 2 2 325.497 1.553 20 0 EDADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000357719627 151124485 /nfs/dbraw/zinc/12/44/85/151124485.db2.gz BWEKVTIBZXXXTP-OWCLPIDISA-N 2 2 325.497 1.553 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC[N@@H+]1CCOC ZINC000357811189 151158300 /nfs/dbraw/zinc/15/83/00/151158300.db2.gz DTAHXLLSPCQMEJ-CVEARBPZSA-N 2 2 349.479 1.623 20 0 EDADLP CC[C@@H]1CN(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CC[N@H+]1CCOC ZINC000357811189 151158302 /nfs/dbraw/zinc/15/83/02/151158302.db2.gz DTAHXLLSPCQMEJ-CVEARBPZSA-N 2 2 349.479 1.623 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000357859917 151174767 /nfs/dbraw/zinc/17/47/67/151174767.db2.gz XLCITZMVVKXBTA-GOSISDBHSA-N 2 2 349.450 1.627 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NCC(=O)c2ccccc2)CC[N@@H+]1C ZINC000358031440 151240595 /nfs/dbraw/zinc/24/05/95/151240595.db2.gz IKYMYDDNMNWOQA-RDJZCZTQSA-N 2 2 331.460 1.790 20 0 EDADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NCC(=O)c2ccccc2)CC[N@H+]1C ZINC000358031440 151240597 /nfs/dbraw/zinc/24/05/97/151240597.db2.gz IKYMYDDNMNWOQA-RDJZCZTQSA-N 2 2 331.460 1.790 20 0 EDADLP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)NCC(=O)c2ccccc2)CC[NH+]1C ZINC000358031440 151240598 /nfs/dbraw/zinc/24/05/98/151240598.db2.gz IKYMYDDNMNWOQA-RDJZCZTQSA-N 2 2 331.460 1.790 20 0 EDADLP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)NCC(=O)c2ccccc2)CC[NH+]1C ZINC000358031440 151240599 /nfs/dbraw/zinc/24/05/99/151240599.db2.gz IKYMYDDNMNWOQA-RDJZCZTQSA-N 2 2 331.460 1.790 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NCC(=O)c2ccccc2)CC[N@@H+]1C ZINC000358031441 151240747 /nfs/dbraw/zinc/24/07/47/151240747.db2.gz IKYMYDDNMNWOQA-WBVHZDCISA-N 2 2 331.460 1.790 20 0 EDADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NCC(=O)c2ccccc2)CC[N@H+]1C ZINC000358031441 151240749 /nfs/dbraw/zinc/24/07/49/151240749.db2.gz IKYMYDDNMNWOQA-WBVHZDCISA-N 2 2 331.460 1.790 20 0 EDADLP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NCC(=O)c2ccccc2)CC[NH+]1C ZINC000358031441 151240751 /nfs/dbraw/zinc/24/07/51/151240751.db2.gz IKYMYDDNMNWOQA-WBVHZDCISA-N 2 2 331.460 1.790 20 0 EDADLP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)NCC(=O)c2ccccc2)CC[NH+]1C ZINC000358031441 151240752 /nfs/dbraw/zinc/24/07/52/151240752.db2.gz IKYMYDDNMNWOQA-WBVHZDCISA-N 2 2 331.460 1.790 20 0 EDADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358166564 151293325 /nfs/dbraw/zinc/29/33/25/151293325.db2.gz MDVSLGRSUHSRFK-KRWDZBQOSA-N 2 2 334.851 1.990 20 0 EDADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358166564 151293326 /nfs/dbraw/zinc/29/33/26/151293326.db2.gz MDVSLGRSUHSRFK-KRWDZBQOSA-N 2 2 334.851 1.990 20 0 EDADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000417075852 304370377 /nfs/dbraw/zinc/37/03/77/304370377.db2.gz MMIZASCEYBDSIT-SHTZXODSSA-N 2 2 333.480 1.826 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000364296497 304372191 /nfs/dbraw/zinc/37/21/91/304372191.db2.gz UHMXRSISPJTASN-SFHVURJKSA-N 2 2 335.492 1.574 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000364296497 304372193 /nfs/dbraw/zinc/37/21/93/304372193.db2.gz UHMXRSISPJTASN-SFHVURJKSA-N 2 2 335.492 1.574 20 0 EDADLP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359275056 151667158 /nfs/dbraw/zinc/66/71/58/151667158.db2.gz BOGBXBFREJTMAL-BZUAXINKSA-N 2 2 346.450 1.014 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360547651 152089758 /nfs/dbraw/zinc/08/97/58/152089758.db2.gz RNIOGJWYKFGVOS-GOSISDBHSA-N 2 2 333.501 1.889 20 0 EDADLP Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360547651 152089760 /nfs/dbraw/zinc/08/97/60/152089760.db2.gz RNIOGJWYKFGVOS-GOSISDBHSA-N 2 2 333.501 1.889 20 0 EDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCCCOc1ccccc1F ZINC000360568720 152101234 /nfs/dbraw/zinc/10/12/34/152101234.db2.gz LHYHHYGKEJTBGS-GOSISDBHSA-N 2 2 335.423 1.396 20 0 EDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCCCOc1ccccc1F ZINC000360568720 152101236 /nfs/dbraw/zinc/10/12/36/152101236.db2.gz LHYHHYGKEJTBGS-GOSISDBHSA-N 2 2 335.423 1.396 20 0 EDADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000360669378 152146729 /nfs/dbraw/zinc/14/67/29/152146729.db2.gz CJJZPRYWOASZAP-CVEARBPZSA-N 2 2 341.496 1.103 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCS3)C2)CC1 ZINC000360912330 152249139 /nfs/dbraw/zinc/24/91/39/152249139.db2.gz KHQSKTOXBFUUQS-ZFWWWQNUSA-N 2 2 326.510 1.350 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCS3)C2)CC1 ZINC000360912330 152249140 /nfs/dbraw/zinc/24/91/40/152249140.db2.gz KHQSKTOXBFUUQS-ZFWWWQNUSA-N 2 2 326.510 1.350 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCc2cn3cc(C)ccc3n2)CCO1 ZINC000360931730 152255224 /nfs/dbraw/zinc/25/52/24/152255224.db2.gz QHOHCCPDPKTIEE-INIZCTEOSA-N 2 2 345.447 1.553 20 0 EDADLP CC[C@H]1C[N@H+](CCNC(=O)NCc2cn3cc(C)ccc3[nH+]2)CCO1 ZINC000360931730 152255225 /nfs/dbraw/zinc/25/52/25/152255225.db2.gz QHOHCCPDPKTIEE-INIZCTEOSA-N 2 2 345.447 1.553 20 0 EDADLP CC[C@H]1C[N@@H+](CCNC(=O)NCc2cn3cc(C)ccc3[nH+]2)CCO1 ZINC000360931730 152255227 /nfs/dbraw/zinc/25/52/27/152255227.db2.gz QHOHCCPDPKTIEE-INIZCTEOSA-N 2 2 345.447 1.553 20 0 EDADLP Cc1cccc2[nH+]c(CN3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)cn21 ZINC000360960445 152264340 /nfs/dbraw/zinc/26/43/40/152264340.db2.gz HQFTZYSMNTWRBA-GOSISDBHSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1cccc2[nH+]c(CN3CCN([C@@H]4CCC[N@H+](C)C4)CC3)cn21 ZINC000360960445 152264342 /nfs/dbraw/zinc/26/43/42/152264342.db2.gz HQFTZYSMNTWRBA-GOSISDBHSA-N 2 2 327.476 1.855 20 0 EDADLP Cc1nc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000360968112 152266566 /nfs/dbraw/zinc/26/65/66/152266566.db2.gz GVZPVHDSUMCMTC-UHFFFAOYSA-N 2 2 338.521 1.787 20 0 EDADLP Cc1nc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000360968112 152266567 /nfs/dbraw/zinc/26/65/67/152266567.db2.gz GVZPVHDSUMCMTC-UHFFFAOYSA-N 2 2 338.521 1.787 20 0 EDADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000361035762 152285682 /nfs/dbraw/zinc/28/56/82/152285682.db2.gz PCWXNFCWNSZWRE-QGZVFWFLSA-N 2 2 345.487 1.878 20 0 EDADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000361035762 152285687 /nfs/dbraw/zinc/28/56/87/152285687.db2.gz PCWXNFCWNSZWRE-QGZVFWFLSA-N 2 2 345.487 1.878 20 0 EDADLP C[NH+](C)[C@@]1(C(=O)NCCCN2CC[NH+](C)CC2)CCc2ccccc21 ZINC000361240541 152342871 /nfs/dbraw/zinc/34/28/71/152342871.db2.gz MSRTYKJLVAJHTM-FQEVSTJZSA-N 2 2 344.503 1.143 20 0 EDADLP CN1CC[NH+](CCCNC(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000361240541 152342872 /nfs/dbraw/zinc/34/28/72/152342872.db2.gz MSRTYKJLVAJHTM-FQEVSTJZSA-N 2 2 344.503 1.143 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000362220848 152649341 /nfs/dbraw/zinc/64/93/41/152649341.db2.gz NDATWHPXLOGHCX-YJBOKZPZSA-N 2 2 328.460 1.629 20 0 EDADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000417177784 304380681 /nfs/dbraw/zinc/38/06/81/304380681.db2.gz LYFGFXWJYADUFN-AEFFLSMTSA-N 2 2 348.491 1.523 20 0 EDADLP COC(=O)CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000370191914 155371430 /nfs/dbraw/zinc/37/14/30/155371430.db2.gz OEHCTGMVIINHMU-DOTOQJQBSA-N 2 2 347.459 1.118 20 0 EDADLP COC(=O)CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000370191914 155371431 /nfs/dbraw/zinc/37/14/31/155371431.db2.gz OEHCTGMVIINHMU-DOTOQJQBSA-N 2 2 347.459 1.118 20 0 EDADLP COC(=O)CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000370191914 155371432 /nfs/dbraw/zinc/37/14/32/155371432.db2.gz OEHCTGMVIINHMU-DOTOQJQBSA-N 2 2 347.459 1.118 20 0 EDADLP COC(=O)CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000370191914 155371433 /nfs/dbraw/zinc/37/14/33/155371433.db2.gz OEHCTGMVIINHMU-DOTOQJQBSA-N 2 2 347.459 1.118 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)NC1CCCC1 ZINC000363765039 153049659 /nfs/dbraw/zinc/04/96/59/153049659.db2.gz YDMFTDMLXVQJSH-UOVPBQLFSA-N 2 2 337.508 1.913 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)NC1CCCC1 ZINC000363765039 153049662 /nfs/dbraw/zinc/04/96/62/153049662.db2.gz YDMFTDMLXVQJSH-UOVPBQLFSA-N 2 2 337.508 1.913 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000363785821 153056986 /nfs/dbraw/zinc/05/69/86/153056986.db2.gz PKHXOUOFTVAPTG-PKOBYXMFSA-N 3 2 344.503 1.261 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000363785821 153056988 /nfs/dbraw/zinc/05/69/88/153056988.db2.gz PKHXOUOFTVAPTG-PKOBYXMFSA-N 3 2 344.503 1.261 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000363785821 153056990 /nfs/dbraw/zinc/05/69/90/153056990.db2.gz PKHXOUOFTVAPTG-PKOBYXMFSA-N 2 2 344.503 1.261 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000363785821 153056995 /nfs/dbraw/zinc/05/69/95/153056995.db2.gz PKHXOUOFTVAPTG-PKOBYXMFSA-N 2 2 344.503 1.261 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000363836882 153070986 /nfs/dbraw/zinc/07/09/86/153070986.db2.gz YFXUMWVBWGWOAN-CVEARBPZSA-N 2 2 335.452 1.216 20 0 EDADLP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000370214184 155381426 /nfs/dbraw/zinc/38/14/26/155381426.db2.gz BFISNBYECDZSOI-UHFFFAOYSA-N 2 2 347.507 1.986 20 0 EDADLP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000370214184 155381429 /nfs/dbraw/zinc/38/14/29/155381429.db2.gz BFISNBYECDZSOI-UHFFFAOYSA-N 2 2 347.507 1.986 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364275661 153194222 /nfs/dbraw/zinc/19/42/22/153194222.db2.gz ZUAWVUUTMBXDGS-GOSISDBHSA-N 3 2 344.503 1.647 20 0 EDADLP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000364275661 153194223 /nfs/dbraw/zinc/19/42/23/153194223.db2.gz ZUAWVUUTMBXDGS-GOSISDBHSA-N 3 2 344.503 1.647 20 0 EDADLP Cc1nccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000364292891 153198770 /nfs/dbraw/zinc/19/87/70/153198770.db2.gz QTYYBGKEKZUWOY-QGZVFWFLSA-N 2 2 346.479 1.095 20 0 EDADLP Cc1nccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000364292891 153198773 /nfs/dbraw/zinc/19/87/73/153198773.db2.gz QTYYBGKEKZUWOY-QGZVFWFLSA-N 2 2 346.479 1.095 20 0 EDADLP CC(=O)c1ccccc1OCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364566486 153273799 /nfs/dbraw/zinc/27/37/99/153273799.db2.gz WULDQJNJTAGTOX-GOSISDBHSA-N 2 2 345.487 1.980 20 0 EDADLP CC(=O)c1ccccc1OCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364566486 153273802 /nfs/dbraw/zinc/27/38/02/153273802.db2.gz WULDQJNJTAGTOX-GOSISDBHSA-N 2 2 345.487 1.980 20 0 EDADLP Cn1c(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)nnc1C1CCC1 ZINC000364679952 153301678 /nfs/dbraw/zinc/30/16/78/153301678.db2.gz XPTNQWMKJGNLNG-MRXNPFEDSA-N 2 2 346.523 1.542 20 0 EDADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3nnc(C)n3C)[C@H](C)C2)s1 ZINC000364892007 153362262 /nfs/dbraw/zinc/36/22/62/153362262.db2.gz FJRWEBOGCAZXOG-ABAIWWIYSA-N 2 2 334.493 1.889 20 0 EDADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3nnc(C)n3C)[C@H](C)C2)s1 ZINC000364892007 153362263 /nfs/dbraw/zinc/36/22/63/153362263.db2.gz FJRWEBOGCAZXOG-ABAIWWIYSA-N 2 2 334.493 1.889 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367139773 154020002 /nfs/dbraw/zinc/02/00/02/154020002.db2.gz LHAPZAXXROOOPZ-INIZCTEOSA-N 2 2 339.480 1.206 20 0 EDADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367139773 154020004 /nfs/dbraw/zinc/02/00/04/154020004.db2.gz LHAPZAXXROOOPZ-INIZCTEOSA-N 2 2 339.480 1.206 20 0 EDADLP COc1cccc([C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)c2[nH+]ccn2C)c1 ZINC000367512745 154154859 /nfs/dbraw/zinc/15/48/59/154154859.db2.gz GFCLBXMAAXFHBL-RHSMWYFYSA-N 2 2 344.415 1.013 20 0 EDADLP C[C@@H]1CN(C(=O)NCCc2cccnc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367535503 154164588 /nfs/dbraw/zinc/16/45/88/154164588.db2.gz IPHYSYCSJPIQLO-MRXNPFEDSA-N 2 2 345.491 1.434 20 0 EDADLP C[C@@H]1CN(C(=O)NCCc2cccnc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367535503 154164594 /nfs/dbraw/zinc/16/45/94/154164594.db2.gz IPHYSYCSJPIQLO-MRXNPFEDSA-N 2 2 345.491 1.434 20 0 EDADLP C[C@@]1(C(N)=O)CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000367544128 154169438 /nfs/dbraw/zinc/16/94/38/154169438.db2.gz IYTSOPFIFWCOOC-FQEVSTJZSA-N 2 2 344.503 1.929 20 0 EDADLP C[C@@]1(C(N)=O)CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000367544128 154169441 /nfs/dbraw/zinc/16/94/41/154169441.db2.gz IYTSOPFIFWCOOC-FQEVSTJZSA-N 2 2 344.503 1.929 20 0 EDADLP CCCCOC(=O)[C@H](C)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367623941 154204275 /nfs/dbraw/zinc/20/42/75/154204275.db2.gz SCURCJLFRINIDX-DOTOQJQBSA-N 2 2 325.497 1.819 20 0 EDADLP CCCCOC(=O)[C@H](C)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367623941 154204278 /nfs/dbraw/zinc/20/42/78/154204278.db2.gz SCURCJLFRINIDX-DOTOQJQBSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)[NH2+]2 ZINC000367898789 154317730 /nfs/dbraw/zinc/31/77/30/154317730.db2.gz AVMRWZJLVWYSAB-ZIAGYGMSSA-N 2 2 336.480 1.101 20 0 EDADLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1cccnc1 ZINC000367990542 154356732 /nfs/dbraw/zinc/35/67/32/154356732.db2.gz RFMKXIVQVGVOOF-DOTOQJQBSA-N 2 2 332.448 1.055 20 0 EDADLP C[C@@H](c1cccnc1)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369375084 155001895 /nfs/dbraw/zinc/00/18/95/155001895.db2.gz VTWYZCPRJBPMHC-DOTOQJQBSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](c1cccnc1)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369375084 155001899 /nfs/dbraw/zinc/00/18/99/155001899.db2.gz VTWYZCPRJBPMHC-DOTOQJQBSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](c1cccnc1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369375087 155002064 /nfs/dbraw/zinc/00/20/64/155002064.db2.gz VTWYZCPRJBPMHC-WBVHZDCISA-N 2 2 345.491 1.953 20 0 EDADLP C[C@H](c1cccnc1)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369375087 155002067 /nfs/dbraw/zinc/00/20/67/155002067.db2.gz VTWYZCPRJBPMHC-WBVHZDCISA-N 2 2 345.491 1.953 20 0 EDADLP Cc1[nH+]c2n(c1C)CCN(C(=O)c1ccn([C@@H]3CCC[NH2+]C3)n1)C2 ZINC000369556449 155085302 /nfs/dbraw/zinc/08/53/02/155085302.db2.gz MHYSPPKKYXXZTG-CQSZACIVSA-N 2 2 328.420 1.277 20 0 EDADLP COCC[NH+]1CCC(NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000371034596 155749507 /nfs/dbraw/zinc/74/95/07/155749507.db2.gz XNXWKYGQWPTYTN-AWEZNQCLSA-N 2 2 335.452 1.030 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000371927943 156171089 /nfs/dbraw/zinc/17/10/89/156171089.db2.gz SVDIRVBMDSOAGU-JLSDUUJJSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000371927943 156171093 /nfs/dbraw/zinc/17/10/93/156171093.db2.gz SVDIRVBMDSOAGU-JLSDUUJJSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000371927943 156171096 /nfs/dbraw/zinc/17/10/96/156171096.db2.gz SVDIRVBMDSOAGU-JLSDUUJJSA-N 2 2 328.460 1.645 20 0 EDADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000371927943 156171101 /nfs/dbraw/zinc/17/11/01/156171101.db2.gz SVDIRVBMDSOAGU-JLSDUUJJSA-N 2 2 328.460 1.645 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)C2 ZINC000372395963 156369008 /nfs/dbraw/zinc/36/90/08/156369008.db2.gz FVHNHHXCOKPOEF-CABCVRRESA-N 2 2 347.507 1.390 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)CC2 ZINC000372395963 156369009 /nfs/dbraw/zinc/36/90/09/156369009.db2.gz FVHNHHXCOKPOEF-CABCVRRESA-N 2 2 347.507 1.390 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CSCC[NH+]2Cc2ccccc2)C1 ZINC000373879825 157045608 /nfs/dbraw/zinc/04/56/08/157045608.db2.gz CSXPCIPHGOMCOX-IRXDYDNUSA-N 2 2 349.500 1.051 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CSCC[NH+]2Cc2ccccc2)C1 ZINC000373879825 157045611 /nfs/dbraw/zinc/04/56/11/157045611.db2.gz CSXPCIPHGOMCOX-IRXDYDNUSA-N 2 2 349.500 1.051 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000373879825 157045613 /nfs/dbraw/zinc/04/56/13/157045613.db2.gz CSXPCIPHGOMCOX-IRXDYDNUSA-N 2 2 349.500 1.051 20 0 EDADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000373879825 157045615 /nfs/dbraw/zinc/04/56/15/157045615.db2.gz CSXPCIPHGOMCOX-IRXDYDNUSA-N 2 2 349.500 1.051 20 0 EDADLP COc1ncc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000374067257 157128376 /nfs/dbraw/zinc/12/83/76/157128376.db2.gz GKPPXSNZGDRYIF-KRWDZBQOSA-N 2 2 333.480 1.394 20 0 EDADLP COc1ncc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000374067257 157128379 /nfs/dbraw/zinc/12/83/79/157128379.db2.gz GKPPXSNZGDRYIF-KRWDZBQOSA-N 2 2 333.480 1.394 20 0 EDADLP COc1ncc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000374067257 157128380 /nfs/dbraw/zinc/12/83/80/157128380.db2.gz GKPPXSNZGDRYIF-KRWDZBQOSA-N 2 2 333.480 1.394 20 0 EDADLP COc1ncc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000374067257 157128383 /nfs/dbraw/zinc/12/83/83/157128383.db2.gz GKPPXSNZGDRYIF-KRWDZBQOSA-N 2 2 333.480 1.394 20 0 EDADLP Fc1cncc([C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C2CC2)c1 ZINC000374186802 157186075 /nfs/dbraw/zinc/18/60/75/157186075.db2.gz IXSPCFUFDAERSO-RBUKOAKNSA-N 2 2 348.466 1.668 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccncc1 ZINC000374260950 157217414 /nfs/dbraw/zinc/21/74/14/157217414.db2.gz ZWDFQHQXQFYQHV-HZPDHXFCSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H](NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccncc1 ZINC000374260950 157217420 /nfs/dbraw/zinc/21/74/20/157217420.db2.gz ZWDFQHQXQFYQHV-HZPDHXFCSA-N 2 2 345.491 1.953 20 0 EDADLP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374313887 157238829 /nfs/dbraw/zinc/23/88/29/157238829.db2.gz BKBBRNUMWSTYRW-CRAIPNDOSA-N 2 2 348.535 1.249 20 0 EDADLP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374313887 157238831 /nfs/dbraw/zinc/23/88/31/157238831.db2.gz BKBBRNUMWSTYRW-CRAIPNDOSA-N 2 2 348.535 1.249 20 0 EDADLP C[C@H]1CN(Cc2nc(C(C)(C)C)no2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374608810 157344578 /nfs/dbraw/zinc/34/45/78/157344578.db2.gz XMCWNEFNLFTITR-AWEZNQCLSA-N 2 2 335.496 1.967 20 0 EDADLP C[C@H]1CN(Cc2nc(C(C)(C)C)no2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374608810 157344581 /nfs/dbraw/zinc/34/45/81/157344581.db2.gz XMCWNEFNLFTITR-AWEZNQCLSA-N 2 2 335.496 1.967 20 0 EDADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)no1 ZINC000377802588 157995778 /nfs/dbraw/zinc/99/57/78/157995778.db2.gz LLULGUSYBIRNAN-QWHCGFSZSA-N 2 2 335.452 1.118 20 0 EDADLP CC(C)c1nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000575881023 306673724 /nfs/dbraw/zinc/67/37/24/306673724.db2.gz DXLXXSJFEUGZFJ-OAHLLOKOSA-N 2 2 348.495 1.752 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377879650 158018780 /nfs/dbraw/zinc/01/87/80/158018780.db2.gz MZMRRXSALYUAHZ-HUUCEWRRSA-N 2 2 335.452 1.202 20 0 EDADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377879650 158018782 /nfs/dbraw/zinc/01/87/82/158018782.db2.gz MZMRRXSALYUAHZ-HUUCEWRRSA-N 2 2 335.452 1.202 20 0 EDADLP COCCC[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351628963 292380223 /nfs/dbraw/zinc/38/02/23/292380223.db2.gz BKQNHKUSWTVIMG-JKSUJKDBSA-N 2 2 325.497 1.676 20 0 EDADLP COCCC[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351628963 292380224 /nfs/dbraw/zinc/38/02/24/292380224.db2.gz BKQNHKUSWTVIMG-JKSUJKDBSA-N 2 2 325.497 1.676 20 0 EDADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000377964348 158040795 /nfs/dbraw/zinc/04/07/95/158040795.db2.gz STFNHXOGEKMJQD-DLBZAZTESA-N 2 2 348.491 1.966 20 0 EDADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C[C@@H]1C ZINC000377966675 158041921 /nfs/dbraw/zinc/04/19/21/158041921.db2.gz VWDFMAKKBJCEIJ-WMZOPIPTSA-N 2 2 346.475 1.225 20 0 EDADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C[C@@H]1C ZINC000377966675 158041925 /nfs/dbraw/zinc/04/19/25/158041925.db2.gz VWDFMAKKBJCEIJ-WMZOPIPTSA-N 2 2 346.475 1.225 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1C ZINC000377966675 158041927 /nfs/dbraw/zinc/04/19/27/158041927.db2.gz VWDFMAKKBJCEIJ-WMZOPIPTSA-N 2 2 346.475 1.225 20 0 EDADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C[C@@H]1C ZINC000377966675 158041929 /nfs/dbraw/zinc/04/19/29/158041929.db2.gz VWDFMAKKBJCEIJ-WMZOPIPTSA-N 2 2 346.475 1.225 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000378051071 158065578 /nfs/dbraw/zinc/06/55/78/158065578.db2.gz TXORIGFBWUHNMZ-ROUUACIJSA-N 2 2 333.476 1.734 20 0 EDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000378051071 158065579 /nfs/dbraw/zinc/06/55/79/158065579.db2.gz TXORIGFBWUHNMZ-ROUUACIJSA-N 2 2 333.476 1.734 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000378113231 158082101 /nfs/dbraw/zinc/08/21/01/158082101.db2.gz GBXJIAOGMNSANP-BFYDXBDKSA-N 2 2 349.479 1.332 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378309050 158135331 /nfs/dbraw/zinc/13/53/31/158135331.db2.gz AWUMPDIEYCNZQX-WMZOPIPTSA-N 2 2 330.476 1.583 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378309050 158135333 /nfs/dbraw/zinc/13/53/33/158135333.db2.gz AWUMPDIEYCNZQX-WMZOPIPTSA-N 2 2 330.476 1.583 20 0 EDADLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O)c1cccc(F)c1 ZINC000378576419 158213128 /nfs/dbraw/zinc/21/31/28/158213128.db2.gz GZGLWIPHHRDVNG-YJBOKZPZSA-N 2 2 349.450 1.800 20 0 EDADLP CC(C)Cn1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000378617497 158220837 /nfs/dbraw/zinc/22/08/37/158220837.db2.gz RMVUTHIUQOUOTI-SFHVURJKSA-N 2 2 347.507 1.780 20 0 EDADLP CC(C)Cn1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000378617497 158220838 /nfs/dbraw/zinc/22/08/38/158220838.db2.gz RMVUTHIUQOUOTI-SFHVURJKSA-N 2 2 347.507 1.780 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000417930711 304433370 /nfs/dbraw/zinc/43/33/70/304433370.db2.gz KLBRHXUFVJJZGW-ROKHWSDSSA-N 2 2 332.439 1.651 20 0 EDADLP C[NH+](C)CCn1nnnc1SCc1[nH+]ccn1CC(F)(F)F ZINC000343208945 161751351 /nfs/dbraw/zinc/75/13/51/161751351.db2.gz HAFGQNKRHUGXJG-UHFFFAOYSA-N 2 2 335.359 1.286 20 0 EDADLP CC[NH+](CC)CCOCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000352154994 162017500 /nfs/dbraw/zinc/01/75/00/162017500.db2.gz RTRDGWJMVXMTFC-UHFFFAOYSA-N 2 2 333.436 1.492 20 0 EDADLP CCOC(=O)CCCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352227798 162061139 /nfs/dbraw/zinc/06/11/39/162061139.db2.gz QRWRXIWQZCFDKY-UHFFFAOYSA-N 2 2 335.452 1.398 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCOC1 ZINC000352229706 162062981 /nfs/dbraw/zinc/06/29/81/162062981.db2.gz GFHXNWDIGKHZSW-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCOC1 ZINC000352229706 162062982 /nfs/dbraw/zinc/06/29/82/162062982.db2.gz GFHXNWDIGKHZSW-HNNXBMFYSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1)C1CC1 ZINC000365171998 162351553 /nfs/dbraw/zinc/35/15/53/162351553.db2.gz UFBBCFGUSKBJQU-LSDHHAIUSA-N 2 2 345.491 1.221 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000365998825 162366883 /nfs/dbraw/zinc/36/68/83/162366883.db2.gz FVJIYVSJCGTSSA-GOSISDBHSA-N 2 2 331.460 1.270 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000365998825 162366888 /nfs/dbraw/zinc/36/68/88/162366888.db2.gz FVJIYVSJCGTSSA-GOSISDBHSA-N 2 2 331.460 1.270 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000365998825 162366892 /nfs/dbraw/zinc/36/68/92/162366892.db2.gz FVJIYVSJCGTSSA-GOSISDBHSA-N 2 2 331.460 1.270 20 0 EDADLP CC(C)[NH+]1CCO[C@@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000365998825 162366894 /nfs/dbraw/zinc/36/68/94/162366894.db2.gz FVJIYVSJCGTSSA-GOSISDBHSA-N 2 2 331.460 1.270 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366349815 162378079 /nfs/dbraw/zinc/37/80/79/162378079.db2.gz PYDCGPCCCJHFPF-HOCLYGCPSA-N 2 2 348.447 1.390 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000074134190 287267962 /nfs/dbraw/zinc/26/79/62/287267962.db2.gz HPHSFADKFYZGBF-DLBZAZTESA-N 2 2 339.528 1.138 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000074134190 287267964 /nfs/dbraw/zinc/26/79/64/287267964.db2.gz HPHSFADKFYZGBF-DLBZAZTESA-N 2 2 339.528 1.138 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)[NH+]2CCOCC2)c1 ZINC000164894656 292580854 /nfs/dbraw/zinc/58/08/54/292580854.db2.gz HAIVYUDZWMBMLH-HKUYNNGSSA-N 2 2 331.460 1.484 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158662672 225061879 /nfs/dbraw/zinc/06/18/79/225061879.db2.gz ROPGZPFXMBGKTD-IEBWSBKVSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158662672 225061885 /nfs/dbraw/zinc/06/18/85/225061885.db2.gz ROPGZPFXMBGKTD-IEBWSBKVSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158662672 225061890 /nfs/dbraw/zinc/06/18/90/225061890.db2.gz ROPGZPFXMBGKTD-IEBWSBKVSA-N 2 2 345.487 1.906 20 0 EDADLP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158662672 225061896 /nfs/dbraw/zinc/06/18/96/225061896.db2.gz ROPGZPFXMBGKTD-IEBWSBKVSA-N 2 2 345.487 1.906 20 0 EDADLP COc1ccc(F)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000122427180 222085784 /nfs/dbraw/zinc/08/57/84/222085784.db2.gz CFRZCIGDZBIVSD-UHFFFAOYSA-N 2 2 338.427 1.982 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)CC[N@@H+]1C ZINC000123453593 222280200 /nfs/dbraw/zinc/28/02/00/222280200.db2.gz BGXAZXJGSZIKPC-LSDHHAIUSA-N 2 2 325.478 1.379 20 0 EDADLP C[C@H]1C[C@H]([NH+](C)CCNS(=O)(=O)c2ccccc2)CC[N@H+]1C ZINC000123453593 222280202 /nfs/dbraw/zinc/28/02/02/222280202.db2.gz BGXAZXJGSZIKPC-LSDHHAIUSA-N 2 2 325.478 1.379 20 0 EDADLP C[C@H]1C[C@H]([N@H+](C)CCNS(=O)(=O)c2ccccc2)CC[NH+]1C ZINC000123453593 222280204 /nfs/dbraw/zinc/28/02/04/222280204.db2.gz BGXAZXJGSZIKPC-LSDHHAIUSA-N 2 2 325.478 1.379 20 0 EDADLP C[C@H]1C[C@H]([N@@H+](C)CCNS(=O)(=O)c2ccccc2)CC[NH+]1C ZINC000123453593 222280207 /nfs/dbraw/zinc/28/02/07/222280207.db2.gz BGXAZXJGSZIKPC-LSDHHAIUSA-N 2 2 325.478 1.379 20 0 EDADLP CNC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000428940076 305020392 /nfs/dbraw/zinc/02/03/92/305020392.db2.gz BRYNFSSARKQSOJ-UHFFFAOYSA-N 2 2 341.209 1.487 20 0 EDADLP CNC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000428940076 305020393 /nfs/dbraw/zinc/02/03/93/305020393.db2.gz BRYNFSSARKQSOJ-UHFFFAOYSA-N 2 2 341.209 1.487 20 0 EDADLP C[C@@H](COc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000152456591 287612017 /nfs/dbraw/zinc/61/20/17/287612017.db2.gz BKOJUIYEKZSVQX-INIZCTEOSA-N 2 2 333.476 1.844 20 0 EDADLP CC(C)[C@H]([NH3+])CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659620673 452478673 /nfs/dbraw/zinc/47/86/73/452478673.db2.gz NCXKTRBWXJBUEF-MRXNPFEDSA-N 2 2 326.485 1.114 20 0 EDADLP COCC[N@H+](C)CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226367110 273006777 /nfs/dbraw/zinc/00/67/77/273006777.db2.gz KFOUCVKSIZPEOF-UHFFFAOYSA-N 2 2 329.485 1.801 20 0 EDADLP COCC[N@@H+](C)CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226367110 273006779 /nfs/dbraw/zinc/00/67/79/273006779.db2.gz KFOUCVKSIZPEOF-UHFFFAOYSA-N 2 2 329.485 1.801 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)cn2c1 ZINC000273479889 268048268 /nfs/dbraw/zinc/04/82/68/268048268.db2.gz QFVUZRWDDSUMFE-CABCVRRESA-N 2 2 345.447 1.239 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)cn2c1 ZINC000273479889 268048271 /nfs/dbraw/zinc/04/82/71/268048271.db2.gz QFVUZRWDDSUMFE-CABCVRRESA-N 2 2 345.447 1.239 20 0 EDADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](c2ccccc2)O1 ZINC000275317091 268321229 /nfs/dbraw/zinc/32/12/29/268321229.db2.gz SHRWLYMJESTILN-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](c2ccccc2)O1 ZINC000275317091 268321230 /nfs/dbraw/zinc/32/12/30/268321230.db2.gz SHRWLYMJESTILN-AEFFLSMTSA-N 2 2 331.460 1.613 20 0 EDADLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000275400971 268337534 /nfs/dbraw/zinc/33/75/34/268337534.db2.gz BAZFRSXQKZHIFT-GJZGRUSLSA-N 2 2 340.431 1.419 20 0 EDADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000275482818 268349589 /nfs/dbraw/zinc/34/95/89/268349589.db2.gz YYHVHNHWRFMSDO-HNNXBMFYSA-N 2 2 347.463 1.405 20 0 EDADLP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000275531981 268355514 /nfs/dbraw/zinc/35/55/14/268355514.db2.gz XLLBFYCEBCVDMS-UHFFFAOYSA-N 2 2 344.459 1.036 20 0 EDADLP CC[C@H](O)C[NH+]1CCN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)CC1 ZINC000273115259 273029777 /nfs/dbraw/zinc/02/97/77/273029777.db2.gz CWXOLKKUOKSBRM-INIZCTEOSA-N 2 2 345.447 1.241 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCc2ccc[nH+]c2N2CCOCC2)CCC1 ZINC000275606911 273112399 /nfs/dbraw/zinc/11/23/99/273112399.db2.gz MAPFAJZQBUAJLD-UHFFFAOYSA-N 2 2 347.463 1.202 20 0 EDADLP CC[NH+]1CCN(c2ccc(C(=O)NCCn3cc[nH+]c3)cc2)CC1 ZINC000175390057 272936996 /nfs/dbraw/zinc/93/69/96/272936996.db2.gz WJHQZODIMJAIGL-UHFFFAOYSA-N 2 2 327.432 1.455 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000277366488 273193384 /nfs/dbraw/zinc/19/33/84/273193384.db2.gz BHJQXHKJGMDJLY-QGZVFWFLSA-N 2 2 348.516 1.561 20 0 EDADLP C[NH+]1CCN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000277366488 273193385 /nfs/dbraw/zinc/19/33/85/273193385.db2.gz BHJQXHKJGMDJLY-QGZVFWFLSA-N 2 2 348.516 1.561 20 0 EDADLP Cc1cc(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)nc(C(C)C)[nH+]1 ZINC000279225732 273285900 /nfs/dbraw/zinc/28/59/00/273285900.db2.gz PNARVISDXIPEGG-UHFFFAOYSA-N 2 2 342.447 1.913 20 0 EDADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280179292 273348831 /nfs/dbraw/zinc/34/88/31/273348831.db2.gz GXKWSWMPMICKDX-LBPRGKRZSA-N 2 2 343.431 1.826 20 0 EDADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000157473915 287684419 /nfs/dbraw/zinc/68/44/19/287684419.db2.gz DHWCRQREIREMPU-CQSZACIVSA-N 2 2 337.468 1.238 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000284419266 274195136 /nfs/dbraw/zinc/19/51/36/274195136.db2.gz CSALGEDNMYAWAY-CXAGYDPISA-N 2 2 340.387 1.513 20 0 EDADLP O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284515594 274230776 /nfs/dbraw/zinc/23/07/76/274230776.db2.gz DOFJMMVSYDIPMG-YESZJQIVSA-N 2 2 328.416 1.629 20 0 EDADLP O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284515594 274230778 /nfs/dbraw/zinc/23/07/78/274230778.db2.gz DOFJMMVSYDIPMG-YESZJQIVSA-N 2 2 328.416 1.629 20 0 EDADLP O[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284515590 274230796 /nfs/dbraw/zinc/23/07/96/274230796.db2.gz DOFJMMVSYDIPMG-GVDBMIGSSA-N 2 2 328.416 1.629 20 0 EDADLP O[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284515590 274230797 /nfs/dbraw/zinc/23/07/97/274230797.db2.gz DOFJMMVSYDIPMG-GVDBMIGSSA-N 2 2 328.416 1.629 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000284641007 274275841 /nfs/dbraw/zinc/27/58/41/274275841.db2.gz VQMXFSQVEPBSGT-CEXWTWQISA-N 2 2 343.471 1.583 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000284641007 274275843 /nfs/dbraw/zinc/27/58/43/274275843.db2.gz VQMXFSQVEPBSGT-CEXWTWQISA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)C[C@@H]21 ZINC000284641007 274275844 /nfs/dbraw/zinc/27/58/44/274275844.db2.gz VQMXFSQVEPBSGT-CEXWTWQISA-N 2 2 343.471 1.583 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)C[C@@H]21 ZINC000284641007 274275845 /nfs/dbraw/zinc/27/58/45/274275845.db2.gz VQMXFSQVEPBSGT-CEXWTWQISA-N 2 2 343.471 1.583 20 0 EDADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000284794693 274335167 /nfs/dbraw/zinc/33/51/67/274335167.db2.gz LWXBUUMFOICYOL-QAPCUYQASA-N 2 2 342.443 1.509 20 0 EDADLP C[C@@H]1CSC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367941746 274382953 /nfs/dbraw/zinc/38/29/53/274382953.db2.gz AQZAYEHZLKAXSW-FVQBIDKESA-N 2 2 340.537 1.548 20 0 EDADLP C[C@@H]1CSC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367941746 274382954 /nfs/dbraw/zinc/38/29/54/274382954.db2.gz AQZAYEHZLKAXSW-FVQBIDKESA-N 2 2 340.537 1.548 20 0 EDADLP COc1ccccc1/C=C\C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000255626307 287846176 /nfs/dbraw/zinc/84/61/76/287846176.db2.gz XIQUBQAOQZSPLE-HJWRWDBZSA-N 2 2 331.460 1.851 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000362283262 276006635 /nfs/dbraw/zinc/00/66/35/276006635.db2.gz WHVZDFZRFSIWMT-LSDHHAIUSA-N 2 2 346.479 1.478 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000362283262 276006638 /nfs/dbraw/zinc/00/66/38/276006638.db2.gz WHVZDFZRFSIWMT-LSDHHAIUSA-N 2 2 346.479 1.478 20 0 EDADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000362283262 276006641 /nfs/dbraw/zinc/00/66/41/276006641.db2.gz WHVZDFZRFSIWMT-LSDHHAIUSA-N 2 2 346.479 1.478 20 0 EDADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000362283262 276006643 /nfs/dbraw/zinc/00/66/43/276006643.db2.gz WHVZDFZRFSIWMT-LSDHHAIUSA-N 2 2 346.479 1.478 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000367006631 276194432 /nfs/dbraw/zinc/19/44/32/276194432.db2.gz FYHSOUWECVSQSC-GOSISDBHSA-N 2 2 330.476 1.317 20 0 EDADLP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000367006631 276194433 /nfs/dbraw/zinc/19/44/33/276194433.db2.gz FYHSOUWECVSQSC-GOSISDBHSA-N 2 2 330.476 1.317 20 0 EDADLP CCN1CC[NH+](CCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000367006631 276194434 /nfs/dbraw/zinc/19/44/34/276194434.db2.gz FYHSOUWECVSQSC-GOSISDBHSA-N 2 2 330.476 1.317 20 0 EDADLP CCN1CC[NH+](CCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000367006631 276194435 /nfs/dbraw/zinc/19/44/35/276194435.db2.gz FYHSOUWECVSQSC-GOSISDBHSA-N 2 2 330.476 1.317 20 0 EDADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCCn3cc[nH+]c32)C[C@H]1CC ZINC000370020094 276319496 /nfs/dbraw/zinc/31/94/96/276319496.db2.gz SDETZAKNXIKMAJ-HZPDHXFCSA-N 2 2 334.464 1.720 20 0 EDADLP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCCn3cc[nH+]c32)C[C@H]1CC ZINC000370020094 276319497 /nfs/dbraw/zinc/31/94/97/276319497.db2.gz SDETZAKNXIKMAJ-HZPDHXFCSA-N 2 2 334.464 1.720 20 0 EDADLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422881136 276388316 /nfs/dbraw/zinc/38/83/16/276388316.db2.gz PMQZAMBOWIEJOE-WMZOPIPTSA-N 3 2 331.508 1.844 20 0 EDADLP COC(C)(C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369791738 277176998 /nfs/dbraw/zinc/17/69/98/277176998.db2.gz SAZLFEMPZDDALM-HUUCEWRRSA-N 2 2 340.512 1.658 20 0 EDADLP COC(C)(C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369791738 277176999 /nfs/dbraw/zinc/17/69/99/277176999.db2.gz SAZLFEMPZDDALM-HUUCEWRRSA-N 2 2 340.512 1.658 20 0 EDADLP CNC(=O)C[NH+]1CCC(Nc2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000060858934 277229249 /nfs/dbraw/zinc/22/92/49/277229249.db2.gz KLFWQTQHZGBNSA-UHFFFAOYSA-N 2 2 340.431 1.469 20 0 EDADLP CC(C)(O)[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000305264016 277319478 /nfs/dbraw/zinc/31/94/78/277319478.db2.gz UGUJPWSQVGXIJI-MRXNPFEDSA-N 2 2 346.475 1.356 20 0 EDADLP CC(C)(O)[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000305264016 277319481 /nfs/dbraw/zinc/31/94/81/277319481.db2.gz UGUJPWSQVGXIJI-MRXNPFEDSA-N 2 2 346.475 1.356 20 0 EDADLP CC(C)O[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1(C)C ZINC000375505600 277697040 /nfs/dbraw/zinc/69/70/40/277697040.db2.gz HNOJLASYDSPPIR-VWNJHIHFSA-N 2 2 334.464 1.922 20 0 EDADLP C[C@@H](C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000342230463 278250854 /nfs/dbraw/zinc/25/08/54/278250854.db2.gz MIHIYEWXXYOTDU-HRCADAONSA-N 2 2 346.537 1.488 20 0 EDADLP C[C@@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000342230463 278250855 /nfs/dbraw/zinc/25/08/55/278250855.db2.gz MIHIYEWXXYOTDU-HRCADAONSA-N 2 2 346.537 1.488 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000155109110 278261047 /nfs/dbraw/zinc/26/10/47/278261047.db2.gz UEWRFUCBWNQLEN-HBFSDRIKSA-N 3 2 345.535 1.518 20 0 EDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000155109110 278261049 /nfs/dbraw/zinc/26/10/49/278261049.db2.gz UEWRFUCBWNQLEN-HBFSDRIKSA-N 3 2 345.535 1.518 20 0 EDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCS(=O)(=O)C1)C2 ZINC000329332640 278564280 /nfs/dbraw/zinc/56/42/80/278564280.db2.gz WTDFCKJZFBKBML-STQMWFEESA-N 2 2 325.478 1.662 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000341001345 288086921 /nfs/dbraw/zinc/08/69/21/288086921.db2.gz YOYJVSBITGOFIH-ILXRZTDVSA-N 2 2 337.489 1.435 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000341001345 288086922 /nfs/dbraw/zinc/08/69/22/288086922.db2.gz YOYJVSBITGOFIH-ILXRZTDVSA-N 2 2 337.489 1.435 20 0 EDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@](C)(O)C(C)=O)[C@@H]1c1cnn(C)c1 ZINC000450789166 279292125 /nfs/dbraw/zinc/29/21/25/279292125.db2.gz ITLMTZILIRSGEI-JQHSSLGASA-N 2 2 336.480 1.465 20 0 EDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@](C)(O)C(C)=O)[C@@H]1c1cnn(C)c1 ZINC000450789166 279292126 /nfs/dbraw/zinc/29/21/26/279292126.db2.gz ITLMTZILIRSGEI-JQHSSLGASA-N 2 2 336.480 1.465 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@](C)(O)C(C)=O)[C@@H]1c1cnn(C)c1 ZINC000450789166 279292127 /nfs/dbraw/zinc/29/21/27/279292127.db2.gz ITLMTZILIRSGEI-JQHSSLGASA-N 2 2 336.480 1.465 20 0 EDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@](C)(O)C(C)=O)[C@@H]1c1cnn(C)c1 ZINC000450789166 279292128 /nfs/dbraw/zinc/29/21/28/279292128.db2.gz ITLMTZILIRSGEI-JQHSSLGASA-N 2 2 336.480 1.465 20 0 EDADLP [NH3+]C[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417832644 279639037 /nfs/dbraw/zinc/63/90/37/279639037.db2.gz DIYAQTQZJQJYDC-INIZCTEOSA-N 2 2 327.432 1.759 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168330563 288193416 /nfs/dbraw/zinc/19/34/16/288193416.db2.gz YHUJCHMFPWDQDN-SQNIBIBYSA-N 3 2 339.524 1.576 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168330563 288193417 /nfs/dbraw/zinc/19/34/17/288193417.db2.gz YHUJCHMFPWDQDN-SQNIBIBYSA-N 3 2 339.524 1.576 20 0 EDADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H](C)O1 ZINC000261832350 288219539 /nfs/dbraw/zinc/21/95/39/288219539.db2.gz IIBWUPSTZGGEMQ-SZXPJGKVSA-N 2 2 347.459 1.741 20 0 EDADLP COCc1cnc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000287581465 288269828 /nfs/dbraw/zinc/26/98/28/288269828.db2.gz QPENDONXMMDWLO-UHFFFAOYSA-N 2 2 341.481 1.437 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000289529540 288722502 /nfs/dbraw/zinc/72/25/02/288722502.db2.gz HNVCEJQYHWVIOH-UHFFFAOYSA-N 2 2 337.464 1.655 20 0 EDADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1(CO)CCC1 ZINC000292144804 289272640 /nfs/dbraw/zinc/27/26/40/289272640.db2.gz MWNFSRBZDRMJFB-UHFFFAOYSA-N 2 2 347.459 1.304 20 0 EDADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C1(CO)CCC1 ZINC000292144804 289272645 /nfs/dbraw/zinc/27/26/45/289272645.db2.gz MWNFSRBZDRMJFB-UHFFFAOYSA-N 2 2 347.459 1.304 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292161056 289277655 /nfs/dbraw/zinc/27/76/55/289277655.db2.gz OLMGEHWXXGMRCB-KXBFYZLASA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292161056 289277659 /nfs/dbraw/zinc/27/76/59/289277659.db2.gz OLMGEHWXXGMRCB-KXBFYZLASA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292161056 289277662 /nfs/dbraw/zinc/27/76/62/289277662.db2.gz OLMGEHWXXGMRCB-KXBFYZLASA-N 2 2 331.460 1.728 20 0 EDADLP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292161056 289277665 /nfs/dbraw/zinc/27/76/65/289277665.db2.gz OLMGEHWXXGMRCB-KXBFYZLASA-N 2 2 331.460 1.728 20 0 EDADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292214372 289290961 /nfs/dbraw/zinc/29/09/61/289290961.db2.gz UKGLKWFIJBPZRA-DNVCBOLYSA-N 2 2 333.451 1.901 20 0 EDADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292214372 289290965 /nfs/dbraw/zinc/29/09/65/289290965.db2.gz UKGLKWFIJBPZRA-DNVCBOLYSA-N 2 2 333.451 1.901 20 0 EDADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292214372 289290970 /nfs/dbraw/zinc/29/09/70/289290970.db2.gz UKGLKWFIJBPZRA-DNVCBOLYSA-N 2 2 333.451 1.901 20 0 EDADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292214372 289290972 /nfs/dbraw/zinc/29/09/72/289290972.db2.gz UKGLKWFIJBPZRA-DNVCBOLYSA-N 2 2 333.451 1.901 20 0 EDADLP C[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333940073 289646092 /nfs/dbraw/zinc/64/60/92/289646092.db2.gz NTRVAIKCYCVMPM-IKGGRYGDSA-N 2 2 338.496 1.271 20 0 EDADLP COCc1noc([C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000248465685 293344155 /nfs/dbraw/zinc/34/41/55/293344155.db2.gz RWLDSCSXSIUBGD-HUUCEWRRSA-N 2 2 337.468 1.379 20 0 EDADLP COCc1noc([C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000248465685 293344158 /nfs/dbraw/zinc/34/41/58/293344158.db2.gz RWLDSCSXSIUBGD-HUUCEWRRSA-N 2 2 337.468 1.379 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357110351 295181957 /nfs/dbraw/zinc/18/19/57/295181957.db2.gz XCAXRRFXSBGWPN-RRFJBIMHSA-N 2 2 347.459 1.422 20 0 EDADLP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357110351 295181959 /nfs/dbraw/zinc/18/19/59/295181959.db2.gz XCAXRRFXSBGWPN-RRFJBIMHSA-N 2 2 347.459 1.422 20 0 EDADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418511173 304506193 /nfs/dbraw/zinc/50/61/93/304506193.db2.gz JAZBRPTYCNRRRZ-LBPRGKRZSA-N 2 2 327.379 1.064 20 0 EDADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418549296 304511413 /nfs/dbraw/zinc/51/14/13/304511413.db2.gz FPQFERWYCKLKAD-PBHICJAKSA-N 2 2 334.439 1.793 20 0 EDADLP [NH3+][C@H]1CCC[C@H](NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000418574658 304514621 /nfs/dbraw/zinc/51/46/21/304514621.db2.gz GHCAOCISFUDQLB-IRXDYDNUSA-N 2 2 346.475 1.663 20 0 EDADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193611626 298139761 /nfs/dbraw/zinc/13/97/61/298139761.db2.gz SMICHEXAHDYKNP-VDXIQZNISA-N 2 2 331.504 1.953 20 0 EDADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193611626 298139763 /nfs/dbraw/zinc/13/97/63/298139763.db2.gz SMICHEXAHDYKNP-VDXIQZNISA-N 2 2 331.504 1.953 20 0 EDADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193611626 298139765 /nfs/dbraw/zinc/13/97/65/298139765.db2.gz SMICHEXAHDYKNP-VDXIQZNISA-N 2 2 331.504 1.953 20 0 EDADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193611626 298139767 /nfs/dbraw/zinc/13/97/67/298139767.db2.gz SMICHEXAHDYKNP-VDXIQZNISA-N 2 2 331.504 1.953 20 0 EDADLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420020156 304727486 /nfs/dbraw/zinc/72/74/86/304727486.db2.gz RYLYIJZTNQVRMR-KBPBESRZSA-N 2 2 335.452 1.056 20 0 EDADLP Cc1cc(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)c[nH+]c1N1CCCC[C@@H]1C ZINC000333132806 301350121 /nfs/dbraw/zinc/35/01/21/301350121.db2.gz JUNQHULBQWWFJF-BPUTZDHNSA-N 2 2 347.463 1.565 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3ccccc3O)CC2)CC1 ZINC000422025579 447314449 /nfs/dbraw/zinc/31/44/49/447314449.db2.gz SLGAQJZMLNEJMZ-UHFFFAOYSA-N 2 2 345.487 1.953 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3ccccc3O)CC2)CC1 ZINC000422025579 447314456 /nfs/dbraw/zinc/31/44/56/447314456.db2.gz SLGAQJZMLNEJMZ-UHFFFAOYSA-N 2 2 345.487 1.953 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420373226 304752920 /nfs/dbraw/zinc/75/29/20/304752920.db2.gz QXHUYNMGBPXYTQ-QDEZUTFSSA-N 2 2 347.459 1.454 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(C)[nH+]1 ZINC000425816219 447316434 /nfs/dbraw/zinc/31/64/34/447316434.db2.gz FOYSKWCHRYHEJS-LSDHHAIUSA-N 2 2 330.432 1.498 20 0 EDADLP Cc1cc(C)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(C)[nH+]1 ZINC000425816219 447316441 /nfs/dbraw/zinc/31/64/41/447316441.db2.gz FOYSKWCHRYHEJS-LSDHHAIUSA-N 2 2 330.432 1.498 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000343559227 303079992 /nfs/dbraw/zinc/07/99/92/303079992.db2.gz BZFATUDYCSZEAU-JFIYKMOQSA-N 2 2 334.464 1.152 20 0 EDADLP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000343559227 303079993 /nfs/dbraw/zinc/07/99/93/303079993.db2.gz BZFATUDYCSZEAU-JFIYKMOQSA-N 2 2 334.464 1.152 20 0 EDADLP C[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)CN1CC[NH+](C)CC1 ZINC000297300331 303382757 /nfs/dbraw/zinc/38/27/57/303382757.db2.gz QJXYVTQGFSZFNE-OAHLLOKOSA-N 2 2 344.463 1.017 20 0 EDADLP CN(CC1([NH+](C)C)CCC1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000302473778 303723736 /nfs/dbraw/zinc/72/37/36/303723736.db2.gz DPEAPJQXZIOTEH-HNNXBMFYSA-N 2 2 333.480 1.606 20 0 EDADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000422941042 304880867 /nfs/dbraw/zinc/88/08/67/304880867.db2.gz UPIMQNLNXADKMI-HZPDHXFCSA-N 2 2 337.489 1.831 20 0 EDADLP COc1ccc([C@@H]([NH2+]CCCn2cc(CO)nn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423123378 304887745 /nfs/dbraw/zinc/88/77/45/304887745.db2.gz MNNJBGBUKAPFOX-QZTJIDSGSA-N 2 2 345.447 1.252 20 0 EDADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423336232 304893126 /nfs/dbraw/zinc/89/31/26/304893126.db2.gz UGWPUKFFRIYYQO-OLZOCXBDSA-N 2 2 337.445 1.756 20 0 EDADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423491916 304897373 /nfs/dbraw/zinc/89/73/73/304897373.db2.gz KTQJTZJIBRZADN-UXHICEINSA-N 2 2 347.503 1.590 20 0 EDADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423648761 304903225 /nfs/dbraw/zinc/90/32/25/304903225.db2.gz FJWBPVUTSIIHPB-RBUKOAKNSA-N 2 2 338.455 1.978 20 0 EDADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000423824428 304910318 /nfs/dbraw/zinc/91/03/18/304910318.db2.gz VSDOLWGAFFNLNU-CZUORRHYSA-N 2 2 337.489 1.707 20 0 EDADLP O=C(C[C@H]1C[NH2+]CCO1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000423847406 304912200 /nfs/dbraw/zinc/91/22/00/304912200.db2.gz OQPRFCMUQCPOHL-HNNXBMFYSA-N 2 2 338.411 1.919 20 0 EDADLP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)C1 ZINC000423926302 304917715 /nfs/dbraw/zinc/91/77/15/304917715.db2.gz GVZRCIWATBVENR-OAGGEKHMSA-N 2 2 344.459 1.789 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428053565 305005925 /nfs/dbraw/zinc/00/59/25/305005925.db2.gz LVZRNGWLTJAUOK-HKUYNNGSSA-N 2 2 345.487 1.989 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428053565 305005926 /nfs/dbraw/zinc/00/59/26/305005926.db2.gz LVZRNGWLTJAUOK-HKUYNNGSSA-N 2 2 345.487 1.989 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000429819247 305037792 /nfs/dbraw/zinc/03/77/92/305037792.db2.gz TZXLBQJRNGFWFY-NXHRZFHOSA-N 2 2 345.487 1.768 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000429819247 305037793 /nfs/dbraw/zinc/03/77/93/305037793.db2.gz TZXLBQJRNGFWFY-NXHRZFHOSA-N 2 2 345.487 1.768 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000429819247 305037794 /nfs/dbraw/zinc/03/77/94/305037794.db2.gz TZXLBQJRNGFWFY-NXHRZFHOSA-N 2 2 345.487 1.768 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC[C@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000429819247 305037795 /nfs/dbraw/zinc/03/77/95/305037795.db2.gz TZXLBQJRNGFWFY-NXHRZFHOSA-N 2 2 345.487 1.768 20 0 EDADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000430576748 305056704 /nfs/dbraw/zinc/05/67/04/305056704.db2.gz WYVKXCXYLLYINK-SFHVURJKSA-N 2 2 334.439 1.191 20 0 EDADLP CC(C)N(C)C(=O)C1CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)CC1 ZINC000430596553 305057846 /nfs/dbraw/zinc/05/78/46/305057846.db2.gz JLKNHKASOAYHKL-GOSISDBHSA-N 2 2 340.512 1.055 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430621123 305059684 /nfs/dbraw/zinc/05/96/84/305059684.db2.gz CZKNQKLPFAGYOR-KGLIPLIRSA-N 2 2 333.432 1.846 20 0 EDADLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430621123 305059685 /nfs/dbraw/zinc/05/96/85/305059685.db2.gz CZKNQKLPFAGYOR-KGLIPLIRSA-N 2 2 333.432 1.846 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000430949115 305070205 /nfs/dbraw/zinc/07/02/05/305070205.db2.gz MMLVIMXNYNVAEC-OWCLPIDISA-N 2 2 347.459 1.215 20 0 EDADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)C1 ZINC000430949115 305070206 /nfs/dbraw/zinc/07/02/06/305070206.db2.gz MMLVIMXNYNVAEC-OWCLPIDISA-N 2 2 347.459 1.215 20 0 EDADLP Cc1ccc(N(C)C2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)nn1 ZINC000431069839 305074144 /nfs/dbraw/zinc/07/41/44/305074144.db2.gz IGADGSVAUIAXCE-UHFFFAOYSA-N 2 2 345.451 1.463 20 0 EDADLP CCC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC[NH2+]CC1 ZINC000431078315 305074325 /nfs/dbraw/zinc/07/43/25/305074325.db2.gz FTWLMICITHQKJZ-UHFFFAOYSA-N 2 2 346.475 1.791 20 0 EDADLP CCC[N@@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC[NH2+]CC1 ZINC000431078315 305074326 /nfs/dbraw/zinc/07/43/26/305074326.db2.gz FTWLMICITHQKJZ-UHFFFAOYSA-N 2 2 346.475 1.791 20 0 EDADLP CC(C)[C@@H](C[NH3+])C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000433176193 305102260 /nfs/dbraw/zinc/10/22/60/305102260.db2.gz RRTIQCRJXMKHLE-PKOBYXMFSA-N 2 2 347.503 1.967 20 0 EDADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433913557 305114439 /nfs/dbraw/zinc/11/44/39/305114439.db2.gz DLWZIWOSOFDLDY-INIZCTEOSA-N 2 2 338.496 1.415 20 0 EDADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433913557 305114440 /nfs/dbraw/zinc/11/44/40/305114440.db2.gz DLWZIWOSOFDLDY-INIZCTEOSA-N 2 2 338.496 1.415 20 0 EDADLP CC(C)[NH+](CCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC000433968571 305116104 /nfs/dbraw/zinc/11/61/04/305116104.db2.gz SBYIQTLXGKROKN-MRXNPFEDSA-N 2 2 328.501 1.467 20 0 EDADLP C[C@@H](CNC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)[NH+](C)C1CC1 ZINC000434990804 305134031 /nfs/dbraw/zinc/13/40/31/305134031.db2.gz KPDVDYQQIMLCAK-WMLDXEAASA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)[NH+](C)C1CC1 ZINC000434990804 305134032 /nfs/dbraw/zinc/13/40/32/305134032.db2.gz KPDVDYQQIMLCAK-WMLDXEAASA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1)[N@H+](C)C1CC1 ZINC000434990804 305134033 /nfs/dbraw/zinc/13/40/33/305134033.db2.gz KPDVDYQQIMLCAK-WMLDXEAASA-N 2 2 338.496 1.221 20 0 EDADLP C[C@@H](CNC(=O)N(CC1CC1)C[C@H]1C[NH+](C)CCO1)[N@@H+](C)C1CC1 ZINC000434990804 305134034 /nfs/dbraw/zinc/13/40/34/305134034.db2.gz KPDVDYQQIMLCAK-WMLDXEAASA-N 2 2 338.496 1.221 20 0 EDADLP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)c2O1 ZINC000435380368 305139478 /nfs/dbraw/zinc/13/94/78/305139478.db2.gz QRLSNBYHJYHOCG-QGZVFWFLSA-N 2 2 343.471 1.796 20 0 EDADLP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)c2O1 ZINC000435380368 305139479 /nfs/dbraw/zinc/13/94/79/305139479.db2.gz QRLSNBYHJYHOCG-QGZVFWFLSA-N 2 2 343.471 1.796 20 0 EDADLP CC[C@@H](OC)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435556137 305142318 /nfs/dbraw/zinc/14/23/18/305142318.db2.gz KNDLBBABFRQGOC-HUUCEWRRSA-N 2 2 334.464 1.799 20 0 EDADLP Cn1cc[nH+]c1CN(C(=O)CC[C@@H]1CCCO1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435565170 305142474 /nfs/dbraw/zinc/14/24/74/305142474.db2.gz RHPKIYQFGQLPLY-JKSUJKDBSA-N 2 2 346.475 1.850 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)Cc1cc[nH]n1)[C@H]1CC12CC[NH2+]CC2 ZINC000435572244 305142736 /nfs/dbraw/zinc/14/27/36/305142736.db2.gz DCCXQZQRCMLXGS-HNNXBMFYSA-N 2 2 342.447 1.340 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435613217 305143316 /nfs/dbraw/zinc/14/33/16/305143316.db2.gz AENBUOQUGLIIMG-QGZVFWFLSA-N 2 2 333.476 1.988 20 0 EDADLP CN(CCCOc1ccccc1)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435613217 305143317 /nfs/dbraw/zinc/14/33/17/305143317.db2.gz AENBUOQUGLIIMG-QGZVFWFLSA-N 2 2 333.476 1.988 20 0 EDADLP C[N@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435625855 305143960 /nfs/dbraw/zinc/14/39/60/305143960.db2.gz NASNBROMYVZVRM-KRWDZBQOSA-N 2 2 344.459 1.591 20 0 EDADLP C[N@@H+](CC(=O)Nc1cccc(C(=O)NC2CC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435625855 305143961 /nfs/dbraw/zinc/14/39/61/305143961.db2.gz NASNBROMYVZVRM-KRWDZBQOSA-N 2 2 344.459 1.591 20 0 EDADLP C[NH+](C)Cc1ccsc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000447432312 305280210 /nfs/dbraw/zinc/28/02/10/305280210.db2.gz TXWQSXGFMANMIM-UHFFFAOYSA-N 2 2 325.478 1.652 20 0 EDADLP CC[C@H](C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1)[NH+](C)C ZINC000447698662 305284186 /nfs/dbraw/zinc/28/41/86/305284186.db2.gz DJEMXCKORJGBNL-CQSZACIVSA-N 2 2 346.435 1.626 20 0 EDADLP CCn1nnc(C)c1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000449072475 305305720 /nfs/dbraw/zinc/30/57/20/305305720.db2.gz KQMSMQOQTAGJIZ-UHFFFAOYSA-N 2 2 342.491 1.908 20 0 EDADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000449139410 305307567 /nfs/dbraw/zinc/30/75/67/305307567.db2.gz KYSQEDHQKJOWTQ-HZPDHXFCSA-N 2 2 325.497 1.724 20 0 EDADLP CC(C)(CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000449312120 305310979 /nfs/dbraw/zinc/31/09/79/305310979.db2.gz PDLMFYZHYLKPHC-LJQANCHMSA-N 2 2 331.460 1.145 20 0 EDADLP CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000451247706 305335090 /nfs/dbraw/zinc/33/50/90/305335090.db2.gz AAUDMGVRPAOCAL-DOTOQJQBSA-N 2 2 335.448 1.017 20 0 EDADLP CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000451247706 305335091 /nfs/dbraw/zinc/33/50/91/305335091.db2.gz AAUDMGVRPAOCAL-DOTOQJQBSA-N 2 2 335.448 1.017 20 0 EDADLP CO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451570746 305354358 /nfs/dbraw/zinc/35/43/58/305354358.db2.gz VDHODNWEKOFPFV-OSYLJGHBSA-N 2 2 342.524 1.841 20 0 EDADLP CO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451570746 305354359 /nfs/dbraw/zinc/35/43/59/305354359.db2.gz VDHODNWEKOFPFV-OSYLJGHBSA-N 2 2 342.524 1.841 20 0 EDADLP CO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451570746 305354360 /nfs/dbraw/zinc/35/43/60/305354360.db2.gz VDHODNWEKOFPFV-OSYLJGHBSA-N 2 2 342.524 1.841 20 0 EDADLP CO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1(C)C ZINC000451570746 305354361 /nfs/dbraw/zinc/35/43/61/305354361.db2.gz VDHODNWEKOFPFV-OSYLJGHBSA-N 2 2 342.524 1.841 20 0 EDADLP C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1([NH+]2CCOCC2)CCCC1 ZINC000514675792 305702058 /nfs/dbraw/zinc/70/20/58/305702058.db2.gz WYUWSOCSCICZST-HOTGVXAUSA-N 2 2 346.475 1.595 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377801709 447362275 /nfs/dbraw/zinc/36/22/75/447362275.db2.gz AMRFJZCOBXBIKF-DLBZAZTESA-N 2 2 328.460 1.934 20 0 EDADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000419707770 447363276 /nfs/dbraw/zinc/36/32/76/447363276.db2.gz FZRBSSHOCOCMKL-KBPBESRZSA-N 2 2 341.459 1.942 20 0 EDADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000414942578 447366043 /nfs/dbraw/zinc/36/60/43/447366043.db2.gz ZULRUIAFCPLOAB-AWEZNQCLSA-N 2 2 341.415 1.474 20 0 EDADLP Cn1cc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c(-c2ccncc2)n1 ZINC000536668081 306024767 /nfs/dbraw/zinc/02/47/67/306024767.db2.gz YBOGMRAUAPXGQZ-UHFFFAOYSA-N 2 2 337.431 1.523 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000543236593 306061889 /nfs/dbraw/zinc/06/18/89/306061889.db2.gz RSUSMRKKWVQHMB-HZPDHXFCSA-N 2 2 343.475 1.847 20 0 EDADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000543236593 306061890 /nfs/dbraw/zinc/06/18/90/306061890.db2.gz RSUSMRKKWVQHMB-HZPDHXFCSA-N 2 2 343.475 1.847 20 0 EDADLP C[N@@H+]1CCc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)nn3)sc2C1 ZINC000549137635 306144884 /nfs/dbraw/zinc/14/48/84/306144884.db2.gz RGIBVTASDGDXPV-UHFFFAOYSA-N 2 2 341.400 1.359 20 0 EDADLP C[N@H+]1CCc2nc(NC(=O)c3ccc(-n4cc[nH+]c4)nn3)sc2C1 ZINC000549137635 306144885 /nfs/dbraw/zinc/14/48/85/306144885.db2.gz RGIBVTASDGDXPV-UHFFFAOYSA-N 2 2 341.400 1.359 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000553175313 306183451 /nfs/dbraw/zinc/18/34/51/306183451.db2.gz ZSWPTKUTZXFPCJ-KGLIPLIRSA-N 2 2 326.404 1.361 20 0 EDADLP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000555674316 306204830 /nfs/dbraw/zinc/20/48/30/306204830.db2.gz ZRIQNGXOPLQAKS-AWEZNQCLSA-N 2 2 343.431 1.418 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C(C)C)CC2)s1 ZINC000377818328 447372827 /nfs/dbraw/zinc/37/28/27/447372827.db2.gz ZFONZJGIWBVADW-HOTGVXAUSA-N 2 2 336.505 1.730 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CC)C[C@@H]1CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000456384906 447382657 /nfs/dbraw/zinc/38/26/57/447382657.db2.gz QNNVEWMYXZWBTR-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[NH+](CC)C[C@@H]1CC)[N@H+]1CCO[C@H](CC)C1 ZINC000456384906 447382662 /nfs/dbraw/zinc/38/26/62/447382662.db2.gz QNNVEWMYXZWBTR-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[N@H+](CC)C[C@@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000456384906 447382664 /nfs/dbraw/zinc/38/26/64/447382664.db2.gz QNNVEWMYXZWBTR-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP CC[C@H](C(=O)N1CC[N@@H+](CC)C[C@@H]1CC)[NH+]1CCO[C@H](CC)C1 ZINC000456384906 447382667 /nfs/dbraw/zinc/38/26/67/447382667.db2.gz QNNVEWMYXZWBTR-GVDBMIGSSA-N 2 2 325.497 1.819 20 0 EDADLP C[C@@H]1C[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c2[nH+]ccn21 ZINC000456391956 447385498 /nfs/dbraw/zinc/38/54/98/447385498.db2.gz QWWNSNPIJPLOND-HIFRSBDPSA-N 2 2 340.431 1.466 20 0 EDADLP CC(C)[C@@]1(CO)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000378114725 447401401 /nfs/dbraw/zinc/40/14/01/447401401.db2.gz RNBCAQHUFZMUEJ-SFHVURJKSA-N 2 2 340.512 1.062 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H]3CC34CC4)CC2)CC1 ZINC000422206884 447403578 /nfs/dbraw/zinc/40/35/78/447403578.db2.gz LKEMWMFJVZCOIV-MRXNPFEDSA-N 2 2 334.508 1.988 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H]3CC34CC4)CC2)CC1 ZINC000422206884 447403585 /nfs/dbraw/zinc/40/35/85/447403585.db2.gz LKEMWMFJVZCOIV-MRXNPFEDSA-N 2 2 334.508 1.988 20 0 EDADLP CCOC[C@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458608821 447425451 /nfs/dbraw/zinc/42/54/51/447425451.db2.gz YYRZUJDOUWTJKX-QGZVFWFLSA-N 2 2 340.512 1.613 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)n1C ZINC000419823367 447433772 /nfs/dbraw/zinc/43/37/72/447433772.db2.gz RVMJNODHLDMSLW-HNNXBMFYSA-N 2 2 331.395 1.520 20 0 EDADLP O=C(NCCC[NH+]1CCCC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045121244 440952419 /nfs/dbraw/zinc/95/24/19/440952419.db2.gz QTYXWPKCHODYFP-UHFFFAOYSA-N 2 2 331.464 1.967 20 0 EDADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000046287156 441098720 /nfs/dbraw/zinc/09/87/20/441098720.db2.gz HCTIROHBFITYSY-UHFFFAOYSA-N 2 2 331.464 1.917 20 0 EDADLP C[C@H](C(=O)N(C)CC[NH+](C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000080388272 441167325 /nfs/dbraw/zinc/16/73/25/441167325.db2.gz NRTBGFYXROXDHX-OAHLLOKOSA-N 2 2 336.455 1.356 20 0 EDADLP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408464 441168934 /nfs/dbraw/zinc/16/89/34/441168934.db2.gz PFBMCVNUOOHGQQ-KRWDZBQOSA-N 2 2 337.464 1.575 20 0 EDADLP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408464 441168935 /nfs/dbraw/zinc/16/89/35/441168935.db2.gz PFBMCVNUOOHGQQ-KRWDZBQOSA-N 2 2 337.464 1.575 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408464 441168936 /nfs/dbraw/zinc/16/89/36/441168936.db2.gz PFBMCVNUOOHGQQ-KRWDZBQOSA-N 2 2 337.464 1.575 20 0 EDADLP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408464 441168939 /nfs/dbraw/zinc/16/89/39/441168939.db2.gz PFBMCVNUOOHGQQ-KRWDZBQOSA-N 2 2 337.464 1.575 20 0 EDADLP CCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000080457469 441172825 /nfs/dbraw/zinc/17/28/25/441172825.db2.gz UPJSWZHFTWBXJF-UHFFFAOYSA-N 2 2 345.491 1.783 20 0 EDADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c1 ZINC000104717713 441201200 /nfs/dbraw/zinc/20/12/00/441201200.db2.gz RSKKFKRYSKGFFP-KRWDZBQOSA-N 2 2 326.400 1.439 20 0 EDADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000104776917 441207239 /nfs/dbraw/zinc/20/72/39/441207239.db2.gz NJUUEASKAWPJPJ-CABCVRRESA-N 2 2 336.436 1.046 20 0 EDADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000104776917 441207241 /nfs/dbraw/zinc/20/72/41/441207241.db2.gz NJUUEASKAWPJPJ-CABCVRRESA-N 2 2 336.436 1.046 20 0 EDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104791587 441208949 /nfs/dbraw/zinc/20/89/49/441208949.db2.gz SBEWABGAXRELCP-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104791587 441208953 /nfs/dbraw/zinc/20/89/53/441208953.db2.gz SBEWABGAXRELCP-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000104791587 441208956 /nfs/dbraw/zinc/20/89/56/441208956.db2.gz SBEWABGAXRELCP-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000104791587 441208962 /nfs/dbraw/zinc/20/89/62/441208962.db2.gz SBEWABGAXRELCP-HUUCEWRRSA-N 2 2 326.485 1.127 20 0 EDADLP COc1ccc(C[NH+]2CCC(CNC(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000073119991 441295321 /nfs/dbraw/zinc/29/53/21/441295321.db2.gz GRTXJULSGRGOBL-UHFFFAOYSA-N 2 2 342.443 1.920 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000063465198 441330222 /nfs/dbraw/zinc/33/02/22/441330222.db2.gz WEPOAVCNNVDREP-UHFFFAOYSA-N 2 2 333.480 1.897 20 0 EDADLP Cc1cc(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000063465198 441330226 /nfs/dbraw/zinc/33/02/26/441330226.db2.gz WEPOAVCNNVDREP-UHFFFAOYSA-N 2 2 333.480 1.897 20 0 EDADLP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)C2 ZINC000073633417 441336274 /nfs/dbraw/zinc/33/62/74/441336274.db2.gz PGDUFZBZNOXXPT-JKSUJKDBSA-N 2 2 340.431 1.645 20 0 EDADLP C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1)C2 ZINC000073633417 441336276 /nfs/dbraw/zinc/33/62/76/441336276.db2.gz PGDUFZBZNOXXPT-JKSUJKDBSA-N 2 2 340.431 1.645 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000051760753 441423017 /nfs/dbraw/zinc/42/30/17/441423017.db2.gz ASFHFVKPCJUKAW-UHFFFAOYSA-N 2 2 341.455 1.924 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(O)Cc2ccccc2C1 ZINC000074676293 441456391 /nfs/dbraw/zinc/45/63/91/441456391.db2.gz UMXCZGLMUCPTHO-UHFFFAOYSA-N 2 2 345.487 1.001 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(O)Cc2ccccc2C1 ZINC000074676293 441456395 /nfs/dbraw/zinc/45/63/95/441456395.db2.gz UMXCZGLMUCPTHO-UHFFFAOYSA-N 2 2 345.487 1.001 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108546980 441462477 /nfs/dbraw/zinc/46/24/77/441462477.db2.gz ZPZQRXFIZRKARQ-INIZCTEOSA-N 2 2 327.432 1.660 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108546980 441462481 /nfs/dbraw/zinc/46/24/81/441462481.db2.gz ZPZQRXFIZRKARQ-INIZCTEOSA-N 2 2 327.432 1.660 20 0 EDADLP C[C@H](CCO)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074768380 441465077 /nfs/dbraw/zinc/46/50/77/441465077.db2.gz FDSORMKGHUWPMW-MRXNPFEDSA-N 2 2 340.512 1.254 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H](O)c2cccc(F)c2)CC1 ZINC000089305309 441536602 /nfs/dbraw/zinc/53/66/02/441536602.db2.gz MKXYIMBOYINMHI-QGZVFWFLSA-N 2 2 337.439 1.391 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[N@H+](C)C1CC1 ZINC000075960896 441571978 /nfs/dbraw/zinc/57/19/78/441571978.db2.gz FZOLIPRMHVUKHI-AWEZNQCLSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[N@@H+](C)C1CC1 ZINC000075960896 441571981 /nfs/dbraw/zinc/57/19/81/441571981.db2.gz FZOLIPRMHVUKHI-AWEZNQCLSA-N 2 2 347.463 1.200 20 0 EDADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926829 441596726 /nfs/dbraw/zinc/59/67/26/441596726.db2.gz YTTNVYCFEADELW-CVEARBPZSA-N 2 2 333.480 1.579 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000076226938 441614676 /nfs/dbraw/zinc/61/46/76/441614676.db2.gz DRCQMXHZWPXUNY-UHFFFAOYSA-N 2 2 328.416 1.626 20 0 EDADLP C[NH+](C)CC(=O)N1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000090517104 441631765 /nfs/dbraw/zinc/63/17/65/441631765.db2.gz PNRCLBKSBRRTRO-UHFFFAOYSA-N 2 2 330.476 1.145 20 0 EDADLP C[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000114379107 441651270 /nfs/dbraw/zinc/65/12/70/441651270.db2.gz MGQPBHOEASBDPP-KRWDZBQOSA-N 2 2 332.492 1.118 20 0 EDADLP C[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000114379107 441651274 /nfs/dbraw/zinc/65/12/74/441651274.db2.gz MGQPBHOEASBDPP-KRWDZBQOSA-N 2 2 332.492 1.118 20 0 EDADLP C[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000114379107 441651276 /nfs/dbraw/zinc/65/12/76/441651276.db2.gz MGQPBHOEASBDPP-KRWDZBQOSA-N 2 2 332.492 1.118 20 0 EDADLP C[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000114379107 441651277 /nfs/dbraw/zinc/65/12/77/441651277.db2.gz MGQPBHOEASBDPP-KRWDZBQOSA-N 2 2 332.492 1.118 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1O ZINC000042227814 441716601 /nfs/dbraw/zinc/71/66/01/441716601.db2.gz YJZQAOKIOFTONL-GOSISDBHSA-N 2 2 342.439 1.910 20 0 EDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1O ZINC000042227814 441716609 /nfs/dbraw/zinc/71/66/09/441716609.db2.gz YJZQAOKIOFTONL-GOSISDBHSA-N 2 2 342.439 1.910 20 0 EDADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000115791807 441777236 /nfs/dbraw/zinc/77/72/36/441777236.db2.gz SSPDQNRKXNMZKC-OAHLLOKOSA-N 2 2 329.448 1.860 20 0 EDADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000115791807 441777245 /nfs/dbraw/zinc/77/72/45/441777245.db2.gz SSPDQNRKXNMZKC-OAHLLOKOSA-N 2 2 329.448 1.860 20 0 EDADLP O=c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nc2cc[nH]n21 ZINC000174239052 441905755 /nfs/dbraw/zinc/90/57/55/441905755.db2.gz WRQNZUYHQCSICS-UHFFFAOYSA-N 2 2 345.447 1.099 20 0 EDADLP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000174416988 441923179 /nfs/dbraw/zinc/92/31/79/441923179.db2.gz FFVLAJMVGQPBKL-ROUUACIJSA-N 2 2 346.519 1.649 20 0 EDADLP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000174416988 441923184 /nfs/dbraw/zinc/92/31/84/441923184.db2.gz FFVLAJMVGQPBKL-ROUUACIJSA-N 2 2 346.519 1.649 20 0 EDADLP CCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174405314 441923339 /nfs/dbraw/zinc/92/33/39/441923339.db2.gz WJRCLCHFFDKBCR-MRXNPFEDSA-N 2 2 332.448 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174405314 441923342 /nfs/dbraw/zinc/92/33/42/441923342.db2.gz WJRCLCHFFDKBCR-MRXNPFEDSA-N 2 2 332.448 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174405314 441923344 /nfs/dbraw/zinc/92/33/44/441923344.db2.gz WJRCLCHFFDKBCR-MRXNPFEDSA-N 2 2 332.448 1.286 20 0 EDADLP CCNC(=O)NC(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174405314 441923347 /nfs/dbraw/zinc/92/33/47/441923347.db2.gz WJRCLCHFFDKBCR-MRXNPFEDSA-N 2 2 332.448 1.286 20 0 EDADLP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000174662092 441950664 /nfs/dbraw/zinc/95/06/64/441950664.db2.gz XLGHWSFZOQMNJH-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP C[N@H+]1CCO[C@H](C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000174662092 441950666 /nfs/dbraw/zinc/95/06/66/441950666.db2.gz XLGHWSFZOQMNJH-INIZCTEOSA-N 2 2 332.448 1.409 20 0 EDADLP C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174722336 441960017 /nfs/dbraw/zinc/96/00/17/441960017.db2.gz SVOQCCGQBSULFM-INIZCTEOSA-N 2 2 343.479 1.293 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804930 442043446 /nfs/dbraw/zinc/04/34/46/442043446.db2.gz LMSDDDPRFRDGAH-IEBWSBKVSA-N 2 2 345.487 1.860 20 0 EDADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804930 442043451 /nfs/dbraw/zinc/04/34/51/442043451.db2.gz LMSDDDPRFRDGAH-IEBWSBKVSA-N 2 2 345.487 1.860 20 0 EDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000162432894 442092873 /nfs/dbraw/zinc/09/28/73/442092873.db2.gz CPPPKSSMBDNPKB-IRXDYDNUSA-N 2 2 335.423 1.098 20 0 EDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000162432894 442092879 /nfs/dbraw/zinc/09/28/79/442092879.db2.gz CPPPKSSMBDNPKB-IRXDYDNUSA-N 2 2 335.423 1.098 20 0 EDADLP COc1ccccc1CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175539290 442081730 /nfs/dbraw/zinc/08/17/30/442081730.db2.gz GYUJOJUWPVEHJL-UHFFFAOYSA-N 2 2 348.491 1.563 20 0 EDADLP Cc1cccc(C)c1-n1nnnc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000162307600 442082037 /nfs/dbraw/zinc/08/20/37/442082037.db2.gz XIOZNYIUNIMDTI-UHFFFAOYSA-N 2 2 325.420 1.998 20 0 EDADLP Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000162307600 442082041 /nfs/dbraw/zinc/08/20/41/442082041.db2.gz XIOZNYIUNIMDTI-UHFFFAOYSA-N 2 2 325.420 1.998 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000120503851 442084613 /nfs/dbraw/zinc/08/46/13/442084613.db2.gz CNGSSCMLBMIQMP-MRXNPFEDSA-N 2 2 344.459 1.111 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000120503851 442084617 /nfs/dbraw/zinc/08/46/17/442084617.db2.gz CNGSSCMLBMIQMP-MRXNPFEDSA-N 2 2 344.459 1.111 20 0 EDADLP CC[N@@H+](CCNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)C1CC1 ZINC000127226960 442182993 /nfs/dbraw/zinc/18/29/93/442182993.db2.gz MWKYJBCCAQOCQY-OAHLLOKOSA-N 2 2 331.464 1.834 20 0 EDADLP Cc1cccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)[NH+]2CCOCC2)c1 ZINC000164898381 442204791 /nfs/dbraw/zinc/20/47/91/442204791.db2.gz VLKZSWQRMSDJEF-ROUUACIJSA-N 2 2 331.460 1.627 20 0 EDADLP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000164694933 442201142 /nfs/dbraw/zinc/20/11/42/442201142.db2.gz GHDYIJWIPXXUKT-INIZCTEOSA-N 2 2 349.479 1.270 20 0 EDADLP C[C@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000163389782 442163089 /nfs/dbraw/zinc/16/30/89/442163089.db2.gz OBGICQANYIWGEY-CABCVRRESA-N 2 2 335.452 1.615 20 0 EDADLP COCC[N@H+](C)CCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152387361 442206852 /nfs/dbraw/zinc/20/68/52/442206852.db2.gz SXOISGSZFUFENJ-JKSUJKDBSA-N 2 2 337.468 1.444 20 0 EDADLP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000152387361 442206855 /nfs/dbraw/zinc/20/68/55/442206855.db2.gz SXOISGSZFUFENJ-JKSUJKDBSA-N 2 2 337.468 1.444 20 0 EDADLP Cc1cccc2c1CC[C@@H]2[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000168898366 442225290 /nfs/dbraw/zinc/22/52/90/442225290.db2.gz KEDIFRQQSIUTRP-FQEVSTJZSA-N 2 2 331.504 1.962 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129184170 442304618 /nfs/dbraw/zinc/30/46/18/442304618.db2.gz HPBDHSWWBPSZMQ-LJQANCHMSA-N 2 2 345.487 1.689 20 0 EDADLP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129184170 442304622 /nfs/dbraw/zinc/30/46/22/442304622.db2.gz HPBDHSWWBPSZMQ-LJQANCHMSA-N 2 2 345.487 1.689 20 0 EDADLP COC(=O)CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176916814 442272701 /nfs/dbraw/zinc/27/27/01/442272701.db2.gz ZHVBIFUDLOSSSQ-NVXWUHKLSA-N 2 2 347.459 1.261 20 0 EDADLP COC(=O)CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000176916814 442272703 /nfs/dbraw/zinc/27/27/03/442272703.db2.gz ZHVBIFUDLOSSSQ-NVXWUHKLSA-N 2 2 347.459 1.261 20 0 EDADLP COC(=O)CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176916814 442272704 /nfs/dbraw/zinc/27/27/04/442272704.db2.gz ZHVBIFUDLOSSSQ-NVXWUHKLSA-N 2 2 347.459 1.261 20 0 EDADLP COC(=O)CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176916814 442272706 /nfs/dbraw/zinc/27/27/06/442272706.db2.gz ZHVBIFUDLOSSSQ-NVXWUHKLSA-N 2 2 347.459 1.261 20 0 EDADLP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCS1 ZINC000170884218 442283129 /nfs/dbraw/zinc/28/31/29/442283129.db2.gz JIDGVQPNYZMDRU-CQSZACIVSA-N 2 2 340.537 1.692 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccnc3ccccc32)CC1 ZINC000177113292 442298657 /nfs/dbraw/zinc/29/86/57/442298657.db2.gz ATQCXUQKKBZINR-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2nccc3ccccc32)CC1 ZINC000177119335 442300202 /nfs/dbraw/zinc/30/02/02/442300202.db2.gz PCJKLQYBUBFIKC-UHFFFAOYSA-N 2 2 326.444 1.991 20 0 EDADLP COc1cccc([C@H](C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000177157498 442306898 /nfs/dbraw/zinc/30/68/98/442306898.db2.gz GHGGDNQQTYZERI-HNNXBMFYSA-N 2 2 333.476 1.941 20 0 EDADLP CC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000132615844 442397249 /nfs/dbraw/zinc/39/72/49/442397249.db2.gz AUDGXUFBVNPHDJ-IBGZPJMESA-N 2 2 345.487 1.908 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000133304887 442412229 /nfs/dbraw/zinc/41/22/29/442412229.db2.gz PVVFMMBCEMQQNQ-JKSUJKDBSA-N 2 2 347.528 1.987 20 0 EDADLP C[C@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCSCC1 ZINC000133304887 442412231 /nfs/dbraw/zinc/41/22/31/442412231.db2.gz PVVFMMBCEMQQNQ-JKSUJKDBSA-N 2 2 347.528 1.987 20 0 EDADLP C[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+]1CCSCC1 ZINC000133463207 442419222 /nfs/dbraw/zinc/41/92/22/442419222.db2.gz SFKRELYETMYPAJ-ZDUSSCGKSA-N 2 2 339.480 1.941 20 0 EDADLP C[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000172301533 442438995 /nfs/dbraw/zinc/43/89/95/442438995.db2.gz OQNQXGQWCFHSBG-UHFFFAOYSA-N 2 2 343.431 1.379 20 0 EDADLP CCc1ccccc1NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000172384578 442452761 /nfs/dbraw/zinc/45/27/61/442452761.db2.gz AYSNJEYJYABSRP-UHFFFAOYSA-N 2 2 332.492 1.757 20 0 EDADLP CCc1ccccc1NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000172384578 442452762 /nfs/dbraw/zinc/45/27/62/442452762.db2.gz AYSNJEYJYABSRP-UHFFFAOYSA-N 2 2 332.492 1.757 20 0 EDADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156348316 442471078 /nfs/dbraw/zinc/47/10/78/442471078.db2.gz UPNYXISMSQDBTC-GOSISDBHSA-N 2 2 341.411 1.860 20 0 EDADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156348316 442471081 /nfs/dbraw/zinc/47/10/81/442471081.db2.gz UPNYXISMSQDBTC-GOSISDBHSA-N 2 2 341.411 1.860 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)C1 ZINC000178961257 442539096 /nfs/dbraw/zinc/53/90/96/442539096.db2.gz RHQBEGZFHWFBLF-JKSUJKDBSA-N 2 2 325.497 1.581 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H](C)C1 ZINC000178961257 442539105 /nfs/dbraw/zinc/53/91/05/442539105.db2.gz RHQBEGZFHWFBLF-JKSUJKDBSA-N 2 2 325.497 1.581 20 0 EDADLP O=C([C@@H]([NH2+]C[C@H]1C[NH+]2CCN1CC2)c1ccccc1)N1CCCCC1 ZINC000179008020 442550419 /nfs/dbraw/zinc/55/04/19/442550419.db2.gz MMNMLUHIYPGRTK-OALUTQOASA-N 2 2 342.487 1.330 20 0 EDADLP O=C([C@@H]([NH2+]C[C@@H]1C[NH+]2CCN1CC2)c1ccccc1)N1CCCCC1 ZINC000179007992 442550434 /nfs/dbraw/zinc/55/04/34/442550434.db2.gz MMNMLUHIYPGRTK-MOPGFXCFSA-N 2 2 342.487 1.330 20 0 EDADLP CSCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000157279664 442567118 /nfs/dbraw/zinc/56/71/18/442567118.db2.gz VKDJEIQYWFKVGX-CYBMUJFWSA-N 2 2 328.507 1.258 20 0 EDADLP CC(C)[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180784856 442658893 /nfs/dbraw/zinc/65/88/93/442658893.db2.gz ZGLUBGMBFHJFPO-JKSUJKDBSA-N 2 2 333.480 1.916 20 0 EDADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC000181035036 442676819 /nfs/dbraw/zinc/67/68/19/442676819.db2.gz PQQAVNUCOXGDCX-IEBWSBKVSA-N 2 2 345.487 1.887 20 0 EDADLP CCCNC(=O)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188304442 442736073 /nfs/dbraw/zinc/73/60/73/442736073.db2.gz YQFYGPPLJQPVCC-VQIMIIECSA-N 2 2 333.476 1.470 20 0 EDADLP CCCNC(=O)[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188304442 442736075 /nfs/dbraw/zinc/73/60/75/442736075.db2.gz YQFYGPPLJQPVCC-VQIMIIECSA-N 2 2 333.476 1.470 20 0 EDADLP CCCNC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188304442 442736076 /nfs/dbraw/zinc/73/60/76/442736076.db2.gz YQFYGPPLJQPVCC-VQIMIIECSA-N 2 2 333.476 1.470 20 0 EDADLP CCCNC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188304442 442736079 /nfs/dbraw/zinc/73/60/79/442736079.db2.gz YQFYGPPLJQPVCC-VQIMIIECSA-N 2 2 333.476 1.470 20 0 EDADLP COc1cccc(C(=O)N2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000182615261 442795455 /nfs/dbraw/zinc/79/54/55/442795455.db2.gz LNDVSNVICLXEIP-UHFFFAOYSA-N 2 2 328.416 1.740 20 0 EDADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000182691747 442808387 /nfs/dbraw/zinc/80/83/87/442808387.db2.gz FIXOYKGMCJDJRS-KBPBESRZSA-N 2 2 330.519 1.983 20 0 EDADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000182691747 442808390 /nfs/dbraw/zinc/80/83/90/442808390.db2.gz FIXOYKGMCJDJRS-KBPBESRZSA-N 2 2 330.519 1.983 20 0 EDADLP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)C[C@@H]2C1 ZINC000193633463 442762016 /nfs/dbraw/zinc/76/20/16/442762016.db2.gz MLJFZUFVGXMWSZ-JZXOWHBKSA-N 2 2 347.434 1.219 20 0 EDADLP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)C[C@@H]2C1 ZINC000193633463 442762019 /nfs/dbraw/zinc/76/20/19/442762019.db2.gz MLJFZUFVGXMWSZ-JZXOWHBKSA-N 2 2 347.434 1.219 20 0 EDADLP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)C[C@@H]2C1 ZINC000193633463 442762021 /nfs/dbraw/zinc/76/20/21/442762021.db2.gz MLJFZUFVGXMWSZ-JZXOWHBKSA-N 2 2 347.434 1.219 20 0 EDADLP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)C[C@@H]2C1 ZINC000193633463 442762023 /nfs/dbraw/zinc/76/20/23/442762023.db2.gz MLJFZUFVGXMWSZ-JZXOWHBKSA-N 2 2 347.434 1.219 20 0 EDADLP C[NH+]1CCC(Oc2ccc(NC(=O)CCc3c[nH+]c[nH]3)cn2)CC1 ZINC000193678064 442766721 /nfs/dbraw/zinc/76/67/21/442766721.db2.gz VLTDQZJBFDJJJJ-UHFFFAOYSA-N 2 2 329.404 1.849 20 0 EDADLP C[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000265447467 442776313 /nfs/dbraw/zinc/77/63/13/442776313.db2.gz SHSQRNUIJYKFAC-KRWDZBQOSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000265447467 442776318 /nfs/dbraw/zinc/77/63/18/442776318.db2.gz SHSQRNUIJYKFAC-KRWDZBQOSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000265447467 442776322 /nfs/dbraw/zinc/77/63/22/442776322.db2.gz SHSQRNUIJYKFAC-KRWDZBQOSA-N 2 2 332.492 1.261 20 0 EDADLP C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000265447467 442776326 /nfs/dbraw/zinc/77/63/26/442776326.db2.gz SHSQRNUIJYKFAC-KRWDZBQOSA-N 2 2 332.492 1.261 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cn4cccnc4n3)C2)CC1 ZINC000182906972 442846061 /nfs/dbraw/zinc/84/60/61/442846061.db2.gz XMSKHXSTBWFXDS-KRWDZBQOSA-N 2 2 328.464 1.331 20 0 EDADLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cn4cccnc4n3)C2)CC1 ZINC000182906972 442846067 /nfs/dbraw/zinc/84/60/67/442846067.db2.gz XMSKHXSTBWFXDS-KRWDZBQOSA-N 2 2 328.464 1.331 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247504864 442859112 /nfs/dbraw/zinc/85/91/12/442859112.db2.gz MAQQJAQUOSMMAD-CVEARBPZSA-N 2 2 341.496 1.497 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247504864 442859114 /nfs/dbraw/zinc/85/91/14/442859114.db2.gz MAQQJAQUOSMMAD-CVEARBPZSA-N 2 2 341.496 1.497 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247504864 442859117 /nfs/dbraw/zinc/85/91/17/442859117.db2.gz MAQQJAQUOSMMAD-CVEARBPZSA-N 2 2 341.496 1.497 20 0 EDADLP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247504864 442859118 /nfs/dbraw/zinc/85/91/18/442859118.db2.gz MAQQJAQUOSMMAD-CVEARBPZSA-N 2 2 341.496 1.497 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)C(=O)OC ZINC000247548891 442861579 /nfs/dbraw/zinc/86/15/79/442861579.db2.gz PSKZLBPZBFVMOV-UXLLHSPISA-N 2 2 341.496 1.497 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)C(=O)OC ZINC000247548891 442861582 /nfs/dbraw/zinc/86/15/82/442861582.db2.gz PSKZLBPZBFVMOV-UXLLHSPISA-N 2 2 341.496 1.497 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)C(=O)OC ZINC000247548891 442861584 /nfs/dbraw/zinc/86/15/84/442861584.db2.gz PSKZLBPZBFVMOV-UXLLHSPISA-N 2 2 341.496 1.497 20 0 EDADLP CC[C@H](C)[C@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)C(=O)OC ZINC000247548891 442861587 /nfs/dbraw/zinc/86/15/87/442861587.db2.gz PSKZLBPZBFVMOV-UXLLHSPISA-N 2 2 341.496 1.497 20 0 EDADLP CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000268473028 443000957 /nfs/dbraw/zinc/00/09/57/443000957.db2.gz NCKCYHVWSAGJKA-UHFFFAOYSA-N 2 2 343.431 1.232 20 0 EDADLP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000268625532 443056058 /nfs/dbraw/zinc/05/60/58/443056058.db2.gz NEIPTCHPUFINSG-AWEZNQCLSA-N 2 2 347.488 1.351 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000266216923 443061551 /nfs/dbraw/zinc/06/15/51/443061551.db2.gz KXNJZMCUMNJLCV-CVEARBPZSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H]1C ZINC000266216923 443061553 /nfs/dbraw/zinc/06/15/53/443061553.db2.gz KXNJZMCUMNJLCV-CVEARBPZSA-N 2 2 342.443 1.459 20 0 EDADLP CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000190288318 443081593 /nfs/dbraw/zinc/08/15/93/443081593.db2.gz IAAGPOUZVDVKBO-UHFFFAOYSA-N 2 2 334.445 1.243 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c[nH+]1 ZINC000268898612 443140841 /nfs/dbraw/zinc/14/08/41/443140841.db2.gz LJFJEFUCDQKOOK-HZPDHXFCSA-N 2 2 331.464 1.773 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c[nH+]1 ZINC000268898612 443140843 /nfs/dbraw/zinc/14/08/43/443140843.db2.gz LJFJEFUCDQKOOK-HZPDHXFCSA-N 2 2 331.464 1.773 20 0 EDADLP COc1cc[nH+]c(CN2CC[NH+](CC3CCOCC3)CC2)c1OC ZINC000190583681 443142272 /nfs/dbraw/zinc/14/22/72/443142272.db2.gz PPWCOJJPTLFJMN-UHFFFAOYSA-N 2 2 335.448 1.643 20 0 EDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770342 443103732 /nfs/dbraw/zinc/10/37/32/443103732.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770342 443103733 /nfs/dbraw/zinc/10/37/33/443103733.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000268770342 443103737 /nfs/dbraw/zinc/10/37/37/443103737.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 3 2 331.504 1.724 20 0 EDADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000268770342 443103738 /nfs/dbraw/zinc/10/37/38/443103738.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 3 2 331.504 1.724 20 0 EDADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000236789602 443147832 /nfs/dbraw/zinc/14/78/32/443147832.db2.gz ZMDWSSMOOUXAGQ-SFHVURJKSA-N 2 2 333.476 1.964 20 0 EDADLP COc1cc(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000261767548 443169171 /nfs/dbraw/zinc/16/91/71/443169171.db2.gz RUVFHYXGXSHPQW-KRWDZBQOSA-N 2 2 337.420 1.322 20 0 EDADLP COc1cc(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000261767548 443169174 /nfs/dbraw/zinc/16/91/74/443169174.db2.gz RUVFHYXGXSHPQW-KRWDZBQOSA-N 2 2 337.420 1.322 20 0 EDADLP [NH3+][C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)C1CCOCC1 ZINC000261878662 443172423 /nfs/dbraw/zinc/17/24/23/443172423.db2.gz UJOJZNJHTCTBBO-KRWDZBQOSA-N 2 2 328.416 1.302 20 0 EDADLP O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261920190 443174931 /nfs/dbraw/zinc/17/49/31/443174931.db2.gz XNUHLZBYOAMVLT-AEFFLSMTSA-N 2 2 331.460 1.566 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000262047421 443181363 /nfs/dbraw/zinc/18/13/63/443181363.db2.gz UQQHDXBEJCGVNQ-ZWKOTPCHSA-N 2 2 331.460 1.443 20 0 EDADLP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000262047421 443181367 /nfs/dbraw/zinc/18/13/67/443181367.db2.gz UQQHDXBEJCGVNQ-ZWKOTPCHSA-N 2 2 331.460 1.443 20 0 EDADLP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000237943333 443189344 /nfs/dbraw/zinc/18/93/44/443189344.db2.gz GAPSZHGDNFHCNM-MWLCHTKSSA-N 2 2 337.221 1.840 20 0 EDADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc(OC)c1OC ZINC000268928339 443149510 /nfs/dbraw/zinc/14/95/10/443149510.db2.gz QEWOEBJKUUYUIB-ZFWWWQNUSA-N 2 2 337.464 1.609 20 0 EDADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc(OC)c1OC ZINC000268928339 443149514 /nfs/dbraw/zinc/14/95/14/443149514.db2.gz QEWOEBJKUUYUIB-ZFWWWQNUSA-N 2 2 337.464 1.609 20 0 EDADLP CC[NH2+]CC1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000269198766 443229935 /nfs/dbraw/zinc/22/99/35/443229935.db2.gz SUHQBAFISCDDCJ-UHFFFAOYSA-N 2 2 345.487 1.981 20 0 EDADLP COc1cccc(F)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000266776450 443237716 /nfs/dbraw/zinc/23/77/16/443237716.db2.gz UTCLJTCWHKTLQX-UHFFFAOYSA-N 2 2 337.439 1.932 20 0 EDADLP COc1cccc(F)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000266776450 443237721 /nfs/dbraw/zinc/23/77/21/443237721.db2.gz UTCLJTCWHKTLQX-UHFFFAOYSA-N 2 2 337.439 1.932 20 0 EDADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000245584413 443238845 /nfs/dbraw/zinc/23/88/45/443238845.db2.gz JOJCLZMRMJFOOZ-GOEBONIOSA-N 2 2 330.436 1.158 20 0 EDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C[C@H]1n1cc[nH+]c1 ZINC000245584413 443238848 /nfs/dbraw/zinc/23/88/48/443238848.db2.gz JOJCLZMRMJFOOZ-GOEBONIOSA-N 2 2 330.436 1.158 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c[nH+]1 ZINC000266678439 443205349 /nfs/dbraw/zinc/20/53/49/443205349.db2.gz QBMBJHMUVFWPCY-MRXNPFEDSA-N 2 2 347.463 1.154 20 0 EDADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1C ZINC000411769614 319201924 /nfs/dbraw/zinc/20/19/24/319201924.db2.gz WBSAYOGOEQTQTB-UHFFFAOYSA-N 2 2 330.476 1.987 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1C ZINC000412235834 319227728 /nfs/dbraw/zinc/22/77/28/319227728.db2.gz YOJFGXRAURUTIV-OAHLLOKOSA-N 2 2 330.476 1.939 20 0 EDADLP Cc1ccc(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc1C ZINC000412235834 319227730 /nfs/dbraw/zinc/22/77/30/319227730.db2.gz YOJFGXRAURUTIV-OAHLLOKOSA-N 2 2 330.476 1.939 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)c1ccco1 ZINC000413050025 319260197 /nfs/dbraw/zinc/26/01/97/319260197.db2.gz UMJPZDFXFMJVRW-AWEZNQCLSA-N 2 2 338.452 1.292 20 0 EDADLP COC(=O)[C@H]1CN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC[N@H+](C)C1 ZINC000413498222 319271894 /nfs/dbraw/zinc/27/18/94/319271894.db2.gz MGMUBDCQFQJHKF-OAHLLOKOSA-N 2 2 341.415 1.388 20 0 EDADLP COC(=O)[C@H]1CN(c2cc(C)[nH+]c(-c3ccncc3)n2)CC[N@@H+](C)C1 ZINC000413498222 319271897 /nfs/dbraw/zinc/27/18/97/319271897.db2.gz MGMUBDCQFQJHKF-OAHLLOKOSA-N 2 2 341.415 1.388 20 0 EDADLP C[NH+](C)[C@H](CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000416124884 319390885 /nfs/dbraw/zinc/39/08/85/319390885.db2.gz OVAJMMWWVGKORA-QGZVFWFLSA-N 2 2 333.476 1.906 20 0 EDADLP COCC[NH+]1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000185938549 443288399 /nfs/dbraw/zinc/28/83/99/443288399.db2.gz SQFNXYUXMBFOQC-MRXNPFEDSA-N 2 2 339.867 1.437 20 0 EDADLP O=C(NCC[C@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000416854319 319467108 /nfs/dbraw/zinc/46/71/08/319467108.db2.gz AVDDDADNFPPSFM-GOSISDBHSA-N 2 2 346.475 1.460 20 0 EDADLP CCC[NH2+]CCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416905099 319470763 /nfs/dbraw/zinc/47/07/63/319470763.db2.gz FSIJVGYDEXCPSB-HNNXBMFYSA-N 2 2 333.411 1.947 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000416915873 319473604 /nfs/dbraw/zinc/47/36/04/319473604.db2.gz IICOPRYLSHJMOP-GJZGRUSLSA-N 2 2 331.395 1.781 20 0 EDADLP CC1(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000416919835 319474555 /nfs/dbraw/zinc/47/45/55/319474555.db2.gz RGLSISUPORROMJ-UHFFFAOYSA-N 2 2 327.432 1.873 20 0 EDADLP COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418796817 319513436 /nfs/dbraw/zinc/51/34/36/319513436.db2.gz UKMHYSLKJPFNAF-NVXWUHKLSA-N 2 2 346.475 1.650 20 0 EDADLP C[C@@H](O)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000272591324 443375152 /nfs/dbraw/zinc/37/51/52/443375152.db2.gz PONMNBAZIPTXPZ-SJLPKXTDSA-N 2 2 331.460 1.034 20 0 EDADLP C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000272591324 443375156 /nfs/dbraw/zinc/37/51/56/443375156.db2.gz PONMNBAZIPTXPZ-SJLPKXTDSA-N 2 2 331.460 1.034 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000264706292 443383037 /nfs/dbraw/zinc/38/30/37/443383037.db2.gz CLAIEWDGUGKGCR-SFHVURJKSA-N 2 2 339.443 1.921 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000264706292 443383042 /nfs/dbraw/zinc/38/30/42/443383042.db2.gz CLAIEWDGUGKGCR-SFHVURJKSA-N 2 2 339.443 1.921 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2ncc3ccccc32)CC1 ZINC000267230990 443387272 /nfs/dbraw/zinc/38/72/72/443387272.db2.gz IZKFWWMGXSAIGP-UHFFFAOYSA-N 2 2 329.448 1.179 20 0 EDADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NC[C@H]2CCCO2)CC1 ZINC000278564286 443363888 /nfs/dbraw/zinc/36/38/88/443363888.db2.gz IQVBJVHBJRNJAH-DOTOQJQBSA-N 2 2 347.459 1.917 20 0 EDADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(OCCO)CCOCC1 ZINC000282541644 443369749 /nfs/dbraw/zinc/36/97/49/443369749.db2.gz CENBYZJCSNBJNV-MJGOQNOKSA-N 2 2 348.487 1.655 20 0 EDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(OCCO)CCOCC1 ZINC000282541644 443369750 /nfs/dbraw/zinc/36/97/50/443369750.db2.gz CENBYZJCSNBJNV-MJGOQNOKSA-N 2 2 348.487 1.655 20 0 EDADLP CC(C)C[N@@H+](CC(N)=O)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278732211 443418283 /nfs/dbraw/zinc/41/82/83/443418283.db2.gz VTZAZYQUNHAWGL-GOSISDBHSA-N 2 2 333.476 1.721 20 0 EDADLP CC(C)C[N@H+](CC(N)=O)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278732211 443418287 /nfs/dbraw/zinc/41/82/87/443418287.db2.gz VTZAZYQUNHAWGL-GOSISDBHSA-N 2 2 333.476 1.721 20 0 EDADLP CC(C)C[NH+](CC(N)=O)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278732211 443418290 /nfs/dbraw/zinc/41/82/90/443418290.db2.gz VTZAZYQUNHAWGL-GOSISDBHSA-N 2 2 333.476 1.721 20 0 EDADLP CC(C)C[NH+](CC(N)=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278732211 443418294 /nfs/dbraw/zinc/41/82/94/443418294.db2.gz VTZAZYQUNHAWGL-GOSISDBHSA-N 2 2 333.476 1.721 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)c2cc1C ZINC000278783648 443437604 /nfs/dbraw/zinc/43/76/04/443437604.db2.gz DIQZDGXFPVOGEG-HNAYVOBHSA-N 2 2 342.443 1.226 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@]4(CNC(=O)C4)C3)c2cc1C ZINC000278783648 443437606 /nfs/dbraw/zinc/43/76/06/443437606.db2.gz DIQZDGXFPVOGEG-HNAYVOBHSA-N 2 2 342.443 1.226 20 0 EDADLP OC[C@@H]1CCCN(c2cc(NCC[NH+]3CCSCC3)nc[nH+]2)C1 ZINC000264749414 443405160 /nfs/dbraw/zinc/40/51/60/443405160.db2.gz ALOZQHLTMOBBBT-CQSZACIVSA-N 2 2 337.493 1.146 20 0 EDADLP Cc1[nH+]ccn1CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000264867794 443459315 /nfs/dbraw/zinc/45/93/15/443459315.db2.gz HCHNWKOXBIAOKO-UHFFFAOYSA-N 2 2 330.436 1.816 20 0 EDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422735891 319735416 /nfs/dbraw/zinc/73/54/16/319735416.db2.gz FMTTYTOQMUAGBS-WMZOPIPTSA-N 3 2 335.492 1.526 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267466625 443467309 /nfs/dbraw/zinc/46/73/09/443467309.db2.gz WLNWMOQBKJAYAM-HUUCEWRRSA-N 2 2 348.447 1.533 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267466625 443467313 /nfs/dbraw/zinc/46/73/13/443467313.db2.gz WLNWMOQBKJAYAM-HUUCEWRRSA-N 2 2 348.447 1.533 20 0 EDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C12CCC[NH+]1CCC2 ZINC000279207875 443535975 /nfs/dbraw/zinc/53/59/75/443535975.db2.gz NLQYSRVFCWYMKJ-SFHVURJKSA-N 2 2 343.471 1.632 20 0 EDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C12CCC[NH+]1CCC2 ZINC000279207875 443535981 /nfs/dbraw/zinc/53/59/81/443535981.db2.gz NLQYSRVFCWYMKJ-SFHVURJKSA-N 2 2 343.471 1.632 20 0 EDADLP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+]2CCOCC2)s1 ZINC000423764952 319813603 /nfs/dbraw/zinc/81/36/03/319813603.db2.gz WIINIMBMRDZGDL-UKRRQHHQSA-N 2 2 339.505 1.919 20 0 EDADLP COc1ccccc1[C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000272229229 443563020 /nfs/dbraw/zinc/56/30/20/443563020.db2.gz LMHVDJRHQMECQL-OAHLLOKOSA-N 2 2 349.475 1.573 20 0 EDADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283270912 443584134 /nfs/dbraw/zinc/58/41/34/443584134.db2.gz NIKNVEKEUMCSCF-MRXNPFEDSA-N 2 2 349.479 1.160 20 0 EDADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283270912 443584139 /nfs/dbraw/zinc/58/41/39/443584139.db2.gz NIKNVEKEUMCSCF-MRXNPFEDSA-N 2 2 349.479 1.160 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283270909 443584491 /nfs/dbraw/zinc/58/44/91/443584491.db2.gz NIKNVEKEUMCSCF-INIZCTEOSA-N 2 2 349.479 1.160 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000283270909 443584494 /nfs/dbraw/zinc/58/44/94/443584494.db2.gz NIKNVEKEUMCSCF-INIZCTEOSA-N 2 2 349.479 1.160 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000265400037 443628304 /nfs/dbraw/zinc/62/83/04/443628304.db2.gz IEIXEVQNOPBFAT-HKUYNNGSSA-N 2 2 347.503 1.980 20 0 EDADLP CC(C)[C@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCOCC1 ZINC000265400037 443628308 /nfs/dbraw/zinc/62/83/08/443628308.db2.gz IEIXEVQNOPBFAT-HKUYNNGSSA-N 2 2 347.503 1.980 20 0 EDADLP CC(C)c1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)nc(N(C)C)[nH+]1 ZINC000433776385 319985960 /nfs/dbraw/zinc/98/59/60/319985960.db2.gz YDESISWMOKRMQL-GDBMZVCRSA-N 2 2 333.480 1.823 20 0 EDADLP C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000449732606 320203062 /nfs/dbraw/zinc/20/30/62/320203062.db2.gz ZWFFRKZHSOGYHP-BXUZGUMPSA-N 2 2 329.366 1.829 20 0 EDADLP C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000449732606 320203064 /nfs/dbraw/zinc/20/30/64/320203064.db2.gz ZWFFRKZHSOGYHP-BXUZGUMPSA-N 2 2 329.366 1.829 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000453038698 320260561 /nfs/dbraw/zinc/26/05/61/320260561.db2.gz QHBKRHAYSIDUIX-MSOLQXFVSA-N 2 2 329.444 1.295 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCOCC4)c3)C[C@@H]21 ZINC000453038698 320260562 /nfs/dbraw/zinc/26/05/62/320260562.db2.gz QHBKRHAYSIDUIX-MSOLQXFVSA-N 2 2 329.444 1.295 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(-n2cncn2)cc1 ZINC000453266347 320261561 /nfs/dbraw/zinc/26/15/61/320261561.db2.gz XKPFCEAXLJJVRU-MAUKXSAKSA-N 2 2 329.448 1.765 20 0 EDADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(-n2cncn2)cc1 ZINC000453266347 320261563 /nfs/dbraw/zinc/26/15/63/320261563.db2.gz XKPFCEAXLJJVRU-MAUKXSAKSA-N 2 2 329.448 1.765 20 0 EDADLP c1ccc(C[NH+]2CCC([NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)CC2)nc1 ZINC000453330750 320263046 /nfs/dbraw/zinc/26/30/46/320263046.db2.gz HHALYSYLUYXJGD-KDURUIRLSA-N 2 2 330.476 1.499 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457589213 320329798 /nfs/dbraw/zinc/32/97/98/320329798.db2.gz GMMQQGWLBWBVJL-INIZCTEOSA-N 2 2 345.447 1.023 20 0 EDADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457589213 320329799 /nfs/dbraw/zinc/32/97/99/320329799.db2.gz GMMQQGWLBWBVJL-INIZCTEOSA-N 2 2 345.447 1.023 20 0 EDADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000492809376 320386690 /nfs/dbraw/zinc/38/66/90/320386690.db2.gz FXQHOLBOJZBPON-PLNGDYQASA-N 2 2 342.447 1.764 20 0 EDADLP CCCn1cc(C[N@H+]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000492809376 320386691 /nfs/dbraw/zinc/38/66/91/320386691.db2.gz FXQHOLBOJZBPON-PLNGDYQASA-N 2 2 342.447 1.764 20 0 EDADLP Cc1cnccc1/C=C/C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000493383808 320394595 /nfs/dbraw/zinc/39/45/95/320394595.db2.gz KNBQNOHCFTVNNI-AATRIKPKSA-N 2 2 330.476 1.888 20 0 EDADLP Cc1cnccc1/C=C/C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000493383808 320394596 /nfs/dbraw/zinc/39/45/96/320394596.db2.gz KNBQNOHCFTVNNI-AATRIKPKSA-N 2 2 330.476 1.888 20 0 EDADLP COc1cnc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000283626808 443675816 /nfs/dbraw/zinc/67/58/16/443675816.db2.gz BBAGSWAPHVUSIA-UHFFFAOYSA-N 2 2 348.451 1.165 20 0 EDADLP CNC(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286347617 443695750 /nfs/dbraw/zinc/69/57/50/443695750.db2.gz IXMKIDVDKUVWGW-SFHVURJKSA-N 2 2 344.503 1.657 20 0 EDADLP CNC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286347617 443695753 /nfs/dbraw/zinc/69/57/53/443695753.db2.gz IXMKIDVDKUVWGW-SFHVURJKSA-N 2 2 344.503 1.657 20 0 EDADLP O=C(C=Cc1c[nH]c[nH+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000276524577 443733774 /nfs/dbraw/zinc/73/37/74/443733774.db2.gz DACBFCUCONKXTJ-SNAWJCMRSA-N 2 2 332.448 1.822 20 0 EDADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[NH+](C2CCCC2)CC1 ZINC000523755106 320487026 /nfs/dbraw/zinc/48/70/26/320487026.db2.gz GEVMGNDEALMUBV-UHFFFAOYSA-N 2 2 326.404 1.363 20 0 EDADLP CC[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)[NH+](C)C ZINC000298515083 443789230 /nfs/dbraw/zinc/78/92/30/443789230.db2.gz BKWWEJIXDPDBCD-QZTJIDSGSA-N 2 2 333.476 1.386 20 0 EDADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000298538898 443794510 /nfs/dbraw/zinc/79/45/10/443794510.db2.gz BDMLVHUNASLFFU-KGLIPLIRSA-N 2 2 333.436 1.016 20 0 EDADLP COC(=O)c1cc([C@H](C)[NH+]2CCN(C(=O)C[NH+](C)C)CC2)oc1C ZINC000292508451 443799187 /nfs/dbraw/zinc/79/91/87/443799187.db2.gz CWGYDBQLFBFIDE-LBPRGKRZSA-N 2 2 337.420 1.141 20 0 EDADLP C[C@@H](O)CNc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)nc[nH+]1 ZINC000298442944 443770436 /nfs/dbraw/zinc/77/04/36/443770436.db2.gz XRTFJIMAZDNPRQ-CABCVRRESA-N 2 2 342.447 1.548 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000298640788 443826525 /nfs/dbraw/zinc/82/65/25/443826525.db2.gz QAJXZAQMPPTUMI-CVEARBPZSA-N 2 2 347.459 1.311 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000298640788 443826526 /nfs/dbraw/zinc/82/65/26/443826526.db2.gz QAJXZAQMPPTUMI-CVEARBPZSA-N 2 2 347.459 1.311 20 0 EDADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000292615110 443802398 /nfs/dbraw/zinc/80/23/98/443802398.db2.gz ULEYJFTXAYPLQP-WMLDXEAASA-N 2 2 327.432 1.740 20 0 EDADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000292615110 443802401 /nfs/dbraw/zinc/80/24/01/443802401.db2.gz ULEYJFTXAYPLQP-WMLDXEAASA-N 2 2 327.432 1.740 20 0 EDADLP CC(=O)N1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285175497 443883638 /nfs/dbraw/zinc/88/36/38/443883638.db2.gz MPNKGRMVCRIPPH-UHFFFAOYSA-N 2 2 344.503 1.753 20 0 EDADLP CC(=O)N1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285175497 443883644 /nfs/dbraw/zinc/88/36/44/443883644.db2.gz MPNKGRMVCRIPPH-UHFFFAOYSA-N 2 2 344.503 1.753 20 0 EDADLP CC[N@H+]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@H](C)C1 ZINC000288461339 443887713 /nfs/dbraw/zinc/88/77/13/443887713.db2.gz OGOAYXOLMCCPBJ-QGZVFWFLSA-N 2 2 344.503 1.600 20 0 EDADLP O=C(C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)N1CC[NH+](C2CCC2)CC1 ZINC000298882247 443891510 /nfs/dbraw/zinc/89/15/10/443891510.db2.gz ZFDOGCORBMCWCC-OAHLLOKOSA-N 2 2 345.447 1.160 20 0 EDADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000298813345 443875496 /nfs/dbraw/zinc/87/54/96/443875496.db2.gz TWESNAPYSMJSTQ-CQSZACIVSA-N 2 2 333.436 1.016 20 0 EDADLP C[C@@H](Oc1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000299055439 443940918 /nfs/dbraw/zinc/94/09/18/443940918.db2.gz ICRNIUNQERWXIN-MRXNPFEDSA-N 2 2 333.476 1.938 20 0 EDADLP C[C@@H](Oc1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000299055439 443940920 /nfs/dbraw/zinc/94/09/20/443940920.db2.gz ICRNIUNQERWXIN-MRXNPFEDSA-N 2 2 333.476 1.938 20 0 EDADLP CC[N@@H+]1CCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288538666 443912649 /nfs/dbraw/zinc/91/26/49/443912649.db2.gz SFQTUFKZWSRLHH-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[N@H+]1CCN(C(=O)C[C@@H]2C[NH+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288538666 443912654 /nfs/dbraw/zinc/91/26/54/443912654.db2.gz SFQTUFKZWSRLHH-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288538666 443912657 /nfs/dbraw/zinc/91/26/57/443912657.db2.gz SFQTUFKZWSRLHH-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[NH+]1CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[C@@H](C)C1 ZINC000288538666 443912660 /nfs/dbraw/zinc/91/26/60/443912660.db2.gz SFQTUFKZWSRLHH-PKOBYXMFSA-N 2 2 345.487 1.830 20 0 EDADLP CN(Cc1cccs1)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000299184717 443977450 /nfs/dbraw/zinc/97/74/50/443977450.db2.gz AEWSJAQCYUVTLC-UHFFFAOYSA-N 2 2 333.461 1.262 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000293354402 443993100 /nfs/dbraw/zinc/99/31/00/443993100.db2.gz NZEDWBDIYUQISP-AEFFLSMTSA-N 2 2 333.476 1.074 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000293354402 443993104 /nfs/dbraw/zinc/99/31/04/443993104.db2.gz NZEDWBDIYUQISP-AEFFLSMTSA-N 2 2 333.476 1.074 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299260814 443999537 /nfs/dbraw/zinc/99/95/37/443999537.db2.gz LIYFMSYVFDCZNX-CQSZACIVSA-N 2 2 329.404 1.216 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299260814 443999540 /nfs/dbraw/zinc/99/95/40/443999540.db2.gz LIYFMSYVFDCZNX-CQSZACIVSA-N 2 2 329.404 1.216 20 0 EDADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000288965819 444023713 /nfs/dbraw/zinc/02/37/13/444023713.db2.gz CBLNENVGSHVBDK-DOTOQJQBSA-N 2 2 334.464 1.309 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1(C)C ZINC000281875996 444029145 /nfs/dbraw/zinc/02/91/45/444029145.db2.gz WTUUVMPXTCAGBI-UHFFFAOYSA-N 2 2 342.447 1.023 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1(C)C ZINC000281875996 444029150 /nfs/dbraw/zinc/02/91/50/444029150.db2.gz WTUUVMPXTCAGBI-UHFFFAOYSA-N 2 2 342.447 1.023 20 0 EDADLP O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282036537 444069547 /nfs/dbraw/zinc/06/95/47/444069547.db2.gz LFIOVEREXULMFY-WBVHZDCISA-N 2 2 329.448 1.656 20 0 EDADLP O[C@H](Cn1cccn1)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282036537 444069552 /nfs/dbraw/zinc/06/95/52/444069552.db2.gz LFIOVEREXULMFY-WBVHZDCISA-N 2 2 329.448 1.656 20 0 EDADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)[C@@H]2C1 ZINC000285666950 444066383 /nfs/dbraw/zinc/06/63/83/444066383.db2.gz GURUURJBQDMIBN-QZTJIDSGSA-N 2 2 340.427 1.477 20 0 EDADLP C[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)[C@@H]2C1 ZINC000285666950 444066385 /nfs/dbraw/zinc/06/63/85/444066385.db2.gz GURUURJBQDMIBN-QZTJIDSGSA-N 2 2 340.427 1.477 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC[NH2+]1 ZINC000561145332 321034986 /nfs/dbraw/zinc/03/49/86/321034986.db2.gz GBAZFMIMTJNXMI-NJAFHUGGSA-N 2 2 346.475 1.500 20 0 EDADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000562726983 321073055 /nfs/dbraw/zinc/07/30/55/321073055.db2.gz RSZKROUOTWKXHA-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000562726983 321073056 /nfs/dbraw/zinc/07/30/56/321073056.db2.gz RSZKROUOTWKXHA-MRXNPFEDSA-N 2 2 340.512 1.517 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000562797728 321076580 /nfs/dbraw/zinc/07/65/80/321076580.db2.gz ABTUXQLWCFVQBR-QGZVFWFLSA-N 2 2 326.444 1.667 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2cccc3ccccc32)[C@H](C[NH3+])C1 ZINC000562797728 321076581 /nfs/dbraw/zinc/07/65/81/321076581.db2.gz ABTUXQLWCFVQBR-QGZVFWFLSA-N 2 2 326.444 1.667 20 0 EDADLP O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000563078660 321094610 /nfs/dbraw/zinc/09/46/10/321094610.db2.gz GYFGXIPFVPZPQT-UHFFFAOYSA-N 2 2 333.779 1.162 20 0 EDADLP O=C(NCCC1=CC[NH2+]CC1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000563545685 321111338 /nfs/dbraw/zinc/11/13/38/321111338.db2.gz SFCHWUMJAIMKLG-UHFFFAOYSA-N 2 2 329.448 1.791 20 0 EDADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000564150283 321121680 /nfs/dbraw/zinc/12/16/80/321121680.db2.gz OEUWFWULIZADBQ-ZFWWWQNUSA-N 2 2 326.404 1.219 20 0 EDADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000564150283 321121682 /nfs/dbraw/zinc/12/16/82/321121682.db2.gz OEUWFWULIZADBQ-ZFWWWQNUSA-N 2 2 326.404 1.219 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)C1CC1 ZINC000564444325 321132024 /nfs/dbraw/zinc/13/20/24/321132024.db2.gz NTKIYYJCFFOLIB-QZTJIDSGSA-N 2 2 347.459 1.349 20 0 EDADLP C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])c[nH+]2)CCO1 ZINC000564910328 321155986 /nfs/dbraw/zinc/15/59/86/321155986.db2.gz LVYNXNXEJKQNKQ-PVAVHDDUSA-N 2 2 346.475 1.831 20 0 EDADLP Cc1ccc(-c2cnc(CCC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])o2)cc1 ZINC000564944054 321159187 /nfs/dbraw/zinc/15/91/87/321159187.db2.gz HLCXPMJUBXIGLA-MRXNPFEDSA-N 2 2 342.443 1.684 20 0 EDADLP Cc1ccc(-c2cnc(CCC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])o2)cc1 ZINC000564944054 321159188 /nfs/dbraw/zinc/15/91/88/321159188.db2.gz HLCXPMJUBXIGLA-MRXNPFEDSA-N 2 2 342.443 1.684 20 0 EDADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289273573 444093185 /nfs/dbraw/zinc/09/31/85/444093185.db2.gz FKGIWNCPSLMYOK-IAGOWNOFSA-N 2 2 349.475 1.921 20 0 EDADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289273573 444093191 /nfs/dbraw/zinc/09/31/91/444093191.db2.gz FKGIWNCPSLMYOK-IAGOWNOFSA-N 2 2 349.475 1.921 20 0 EDADLP C[C@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000565039730 321165537 /nfs/dbraw/zinc/16/55/37/321165537.db2.gz BSGNMMWHEXOXDM-YJBOKZPZSA-N 2 2 330.476 1.761 20 0 EDADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299609962 444094273 /nfs/dbraw/zinc/09/42/73/444094273.db2.gz IWGGYQMSDIGAIO-UKRRQHHQSA-N 2 2 341.415 1.216 20 0 EDADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000299609962 444094277 /nfs/dbraw/zinc/09/42/77/444094277.db2.gz IWGGYQMSDIGAIO-UKRRQHHQSA-N 2 2 341.415 1.216 20 0 EDADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C)C2C[NH2+]C2)on1 ZINC000565655916 321195584 /nfs/dbraw/zinc/19/55/84/321195584.db2.gz ABKUSVADGRJQGP-SNPRPXQTSA-N 2 2 338.427 1.209 20 0 EDADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@H](C)C2C[NH2+]C2)on1 ZINC000565655916 321195585 /nfs/dbraw/zinc/19/55/85/321195585.db2.gz ABKUSVADGRJQGP-SNPRPXQTSA-N 2 2 338.427 1.209 20 0 EDADLP C[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000566045731 321211335 /nfs/dbraw/zinc/21/13/35/321211335.db2.gz IGLJAFFTTOBOFL-CABCVRRESA-N 2 2 338.496 1.269 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000566302650 321225848 /nfs/dbraw/zinc/22/58/48/321225848.db2.gz BIVKLVQPKGPKJY-AABGKKOBSA-N 3 2 331.504 1.725 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000566302650 321225850 /nfs/dbraw/zinc/22/58/50/321225850.db2.gz BIVKLVQPKGPKJY-AABGKKOBSA-N 3 2 331.504 1.725 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000566413405 321228540 /nfs/dbraw/zinc/22/85/40/321228540.db2.gz SAHKEAKHDWCXIM-DLBZAZTESA-N 2 2 333.476 1.952 20 0 EDADLP Cc1cc(C)cc(OCCN(C)C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000566413405 321228542 /nfs/dbraw/zinc/22/85/42/321228542.db2.gz SAHKEAKHDWCXIM-DLBZAZTESA-N 2 2 333.476 1.952 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000566431842 321230544 /nfs/dbraw/zinc/23/05/44/321230544.db2.gz QBXSCFCJFMVHGM-QAPCUYQASA-N 2 2 342.443 1.606 20 0 EDADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000566431842 321230545 /nfs/dbraw/zinc/23/05/45/321230545.db2.gz QBXSCFCJFMVHGM-QAPCUYQASA-N 2 2 342.443 1.606 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@@H+](C)C[C@H](C)O)CC3)ccn12 ZINC000567625870 321249256 /nfs/dbraw/zinc/24/92/56/321249256.db2.gz YZNQNWXQKCRVPI-AWEZNQCLSA-N 2 2 330.432 1.560 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)N3CCC([N@H+](C)C[C@H](C)O)CC3)ccn12 ZINC000567625870 321249257 /nfs/dbraw/zinc/24/92/57/321249257.db2.gz YZNQNWXQKCRVPI-AWEZNQCLSA-N 2 2 330.432 1.560 20 0 EDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000567734599 321256179 /nfs/dbraw/zinc/25/61/79/321256179.db2.gz QFFJHEXGNIDGIR-HOTGVXAUSA-N 2 2 347.459 1.344 20 0 EDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000567734599 321256181 /nfs/dbraw/zinc/25/61/81/321256181.db2.gz QFFJHEXGNIDGIR-HOTGVXAUSA-N 2 2 347.459 1.344 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC[C@H]1COc2ccccc2O1 ZINC000569087220 321317943 /nfs/dbraw/zinc/31/79/43/321317943.db2.gz GZDKMDLDOIWBLK-KXBFYZLASA-N 2 2 345.443 1.018 20 0 EDADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC[C@H]1COc2ccccc2O1 ZINC000569087220 321317944 /nfs/dbraw/zinc/31/79/44/321317944.db2.gz GZDKMDLDOIWBLK-KXBFYZLASA-N 2 2 345.443 1.018 20 0 EDADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)CCC2 ZINC000570261085 321343022 /nfs/dbraw/zinc/34/30/22/321343022.db2.gz PQKVDWRBDKOWHW-HNNXBMFYSA-N 2 2 349.479 1.479 20 0 EDADLP C[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](C)[S@](=O)CC2)CC[S@@]1=O ZINC000570755412 321355953 /nfs/dbraw/zinc/35/59/53/321355953.db2.gz JBDKIPZTHFJCHW-WGKKAQPQSA-N 2 2 348.578 1.452 20 0 EDADLP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](C)[S@](=O)CC2)CC[S@@]1=O ZINC000570755412 321355954 /nfs/dbraw/zinc/35/59/54/321355954.db2.gz JBDKIPZTHFJCHW-WGKKAQPQSA-N 2 2 348.578 1.452 20 0 EDADLP C[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](C)[S@](=O)CC2)CC[S@@]1=O ZINC000570755412 321355956 /nfs/dbraw/zinc/35/59/56/321355956.db2.gz JBDKIPZTHFJCHW-WGKKAQPQSA-N 2 2 348.578 1.452 20 0 EDADLP C[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](C)[S@](=O)CC2)CC[S@@]1=O ZINC000570755412 321355958 /nfs/dbraw/zinc/35/59/58/321355958.db2.gz JBDKIPZTHFJCHW-WGKKAQPQSA-N 2 2 348.578 1.452 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570779881 321357916 /nfs/dbraw/zinc/35/79/16/321357916.db2.gz UESYXTVHSZVBSV-CYBMUJFWSA-N 2 2 328.420 1.189 20 0 EDADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000570779881 321357918 /nfs/dbraw/zinc/35/79/18/321357918.db2.gz UESYXTVHSZVBSV-CYBMUJFWSA-N 2 2 328.420 1.189 20 0 EDADLP COc1ccc([C@H](C)CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000570814835 321359859 /nfs/dbraw/zinc/35/98/59/321359859.db2.gz PCMFJVIBYAFSFO-ZBFHGGJFSA-N 2 2 334.464 1.473 20 0 EDADLP COc1ccc([C@H](C)CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000570814835 321359860 /nfs/dbraw/zinc/35/98/60/321359860.db2.gz PCMFJVIBYAFSFO-ZBFHGGJFSA-N 2 2 334.464 1.473 20 0 EDADLP CC[N@H+](CCOCCO)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000282182275 444107640 /nfs/dbraw/zinc/10/76/40/444107640.db2.gz VUUKIFZIVLANKY-INIZCTEOSA-N 2 2 335.448 1.345 20 0 EDADLP CC[N@@H+](CCOCCO)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000282182275 444107643 /nfs/dbraw/zinc/10/76/43/444107643.db2.gz VUUKIFZIVLANKY-INIZCTEOSA-N 2 2 335.448 1.345 20 0 EDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)c1 ZINC000285854392 444130070 /nfs/dbraw/zinc/13/00/70/444130070.db2.gz XYYVIBIPNWWWPY-WBVHZDCISA-N 2 2 347.459 1.279 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000289430810 444141143 /nfs/dbraw/zinc/14/11/43/444141143.db2.gz XQLAAXYOACUWFG-DYVFJYSZSA-N 2 2 333.432 1.749 20 0 EDADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cccc(N2CCOC2=O)c1 ZINC000289430810 444141149 /nfs/dbraw/zinc/14/11/49/444141149.db2.gz XQLAAXYOACUWFG-DYVFJYSZSA-N 2 2 333.432 1.749 20 0 EDADLP C[C@@H]1C[NH+](CCCNc2cc(N3CCOCC3)[nH+]cn2)C[C@@H](C)O1 ZINC000301268060 444159260 /nfs/dbraw/zinc/15/92/60/444159260.db2.gz FYVCPHCZGQETQQ-HUUCEWRRSA-N 2 2 335.452 1.224 20 0 EDADLP C[C@@H]1C[NH+](CCCNc2cc(N3CCOCC3)nc[nH+]2)C[C@@H](C)O1 ZINC000301268060 444159263 /nfs/dbraw/zinc/15/92/63/444159263.db2.gz FYVCPHCZGQETQQ-HUUCEWRRSA-N 2 2 335.452 1.224 20 0 EDADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1C ZINC000574098676 321470138 /nfs/dbraw/zinc/47/01/38/321470138.db2.gz BHWUDIKLMUHQOU-GFCCVEGCSA-N 2 2 336.461 1.830 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C(C)(C)n1cncn1 ZINC000289516103 444162792 /nfs/dbraw/zinc/16/27/92/444162792.db2.gz AOYDRYPSHSBSGF-MAUKXSAKSA-N 2 2 343.475 1.411 20 0 EDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)C(C)(C)n1cncn1 ZINC000289516103 444162794 /nfs/dbraw/zinc/16/27/94/444162794.db2.gz AOYDRYPSHSBSGF-MAUKXSAKSA-N 2 2 343.475 1.411 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000289807985 444205986 /nfs/dbraw/zinc/20/59/86/444205986.db2.gz ISAQNZAYBYXXCL-ZFWWWQNUSA-N 2 2 339.871 1.336 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000289807985 444205988 /nfs/dbraw/zinc/20/59/88/444205988.db2.gz ISAQNZAYBYXXCL-ZFWWWQNUSA-N 2 2 339.871 1.336 20 0 EDADLP C[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC000302526237 444215853 /nfs/dbraw/zinc/21/58/53/444215853.db2.gz ZXSGMXAVMZOVMB-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP C[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC000302526237 444215855 /nfs/dbraw/zinc/21/58/55/444215855.db2.gz ZXSGMXAVMZOVMB-HNNXBMFYSA-N 2 2 333.480 1.748 20 0 EDADLP CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000575905185 321533484 /nfs/dbraw/zinc/53/34/84/321533484.db2.gz KANJEMGLZAJGBO-GJZGRUSLSA-N 2 2 326.485 1.127 20 0 EDADLP C[C@@H](OCCc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000295403648 444182590 /nfs/dbraw/zinc/18/25/90/444182590.db2.gz USRUOCGBBLHPNB-QGZVFWFLSA-N 2 2 347.503 1.776 20 0 EDADLP CNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000301666783 444183944 /nfs/dbraw/zinc/18/39/44/444183944.db2.gz LZETVKKJWAYGLV-UHFFFAOYSA-N 2 2 328.416 1.420 20 0 EDADLP Cc1[nH+]ccn1-c1cncc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000301803922 444191279 /nfs/dbraw/zinc/19/12/79/444191279.db2.gz DIUWWGDDQGVMBK-OAHLLOKOSA-N 2 2 328.420 1.129 20 0 EDADLP C[N@H+](C[C@H](O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000289742010 444197454 /nfs/dbraw/zinc/19/74/54/444197454.db2.gz IGOVMHLHLGNSFU-SFHVURJKSA-N 2 2 337.895 1.913 20 0 EDADLP C[N@@H+](C[C@H](O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000289742010 444197457 /nfs/dbraw/zinc/19/74/57/444197457.db2.gz IGOVMHLHLGNSFU-SFHVURJKSA-N 2 2 337.895 1.913 20 0 EDADLP COCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3C)nn2)CC1 ZINC000289755226 444199271 /nfs/dbraw/zinc/19/92/71/444199271.db2.gz OEFIOQXQYDCBFF-UHFFFAOYSA-N 2 2 329.448 1.776 20 0 EDADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000290156694 444249483 /nfs/dbraw/zinc/24/94/83/444249483.db2.gz XENZSQIREFMHRY-UHFFFAOYSA-N 2 2 330.407 1.489 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000289994690 444228220 /nfs/dbraw/zinc/22/82/20/444228220.db2.gz OZPIJXYDLOITQP-KSZLIROESA-N 2 2 331.460 1.392 20 0 EDADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000289994690 444228222 /nfs/dbraw/zinc/22/82/22/444228222.db2.gz OZPIJXYDLOITQP-KSZLIROESA-N 2 2 331.460 1.392 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000296476077 444232853 /nfs/dbraw/zinc/23/28/53/444232853.db2.gz MXLVGIXSABEMHE-UHFFFAOYSA-N 2 2 333.411 1.973 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000296476077 444232854 /nfs/dbraw/zinc/23/28/54/444232854.db2.gz MXLVGIXSABEMHE-UHFFFAOYSA-N 2 2 333.411 1.973 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]1CCCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000303990912 444239165 /nfs/dbraw/zinc/23/91/65/444239165.db2.gz ZARIGUYGSBXMFL-IBGZPJMESA-N 2 2 345.487 1.568 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]1CCCO)N1CC[NH+](Cc2ccccc2)CC1 ZINC000303990912 444239168 /nfs/dbraw/zinc/23/91/68/444239168.db2.gz ZARIGUYGSBXMFL-IBGZPJMESA-N 2 2 345.487 1.568 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)CCN3CCCC3=O)c2cc1C ZINC000304053368 444241703 /nfs/dbraw/zinc/24/17/03/444241703.db2.gz LJIBEJLCZFSKKW-INIZCTEOSA-N 2 2 344.459 1.568 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)CCN3CCCC3=O)c2cc1C ZINC000304053368 444241706 /nfs/dbraw/zinc/24/17/06/444241706.db2.gz LJIBEJLCZFSKKW-INIZCTEOSA-N 2 2 344.459 1.568 20 0 EDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)C1 ZINC000304175935 444243447 /nfs/dbraw/zinc/24/34/47/444243447.db2.gz TXRDXDQJBRXUGM-YJBOKZPZSA-N 2 2 339.430 1.710 20 0 EDADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)C1 ZINC000304175935 444243448 /nfs/dbraw/zinc/24/34/48/444243448.db2.gz TXRDXDQJBRXUGM-YJBOKZPZSA-N 2 2 339.430 1.710 20 0 EDADLP CC(C)[NH2+]CCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000315387878 444305175 /nfs/dbraw/zinc/30/51/75/444305175.db2.gz FSIRQOFZLQGVKB-CQSZACIVSA-N 2 2 325.478 1.626 20 0 EDADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000290700781 444312379 /nfs/dbraw/zinc/31/23/79/444312379.db2.gz NMPBCDBZKQFCAN-GDBMZVCRSA-N 2 2 347.463 1.152 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000309947683 444290267 /nfs/dbraw/zinc/29/02/67/444290267.db2.gz PHSCWNAWDDDZOJ-GPANFISMSA-N 2 2 340.512 1.658 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000309947683 444290269 /nfs/dbraw/zinc/29/02/69/444290269.db2.gz PHSCWNAWDDDZOJ-GPANFISMSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CCNc2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000340267450 444375263 /nfs/dbraw/zinc/37/52/63/444375263.db2.gz IUVJNHCGAOTKFC-SJLPKXTDSA-N 2 2 325.460 2.531 20 0 EDADLP C[C@@H]1[C@H]([NH2+]CCNc2cnccn2)CCC[N@H+]1Cc1ccccc1 ZINC000340267450 444375267 /nfs/dbraw/zinc/37/52/67/444375267.db2.gz IUVJNHCGAOTKFC-SJLPKXTDSA-N 2 2 325.460 2.531 20 0 EDADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297864880 444343357 /nfs/dbraw/zinc/34/33/57/444343357.db2.gz MEXLLQYZIJBEMS-ZDUSSCGKSA-N 2 2 329.404 1.263 20 0 EDADLP C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297864880 444343358 /nfs/dbraw/zinc/34/33/58/444343358.db2.gz MEXLLQYZIJBEMS-ZDUSSCGKSA-N 2 2 329.404 1.263 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCNc2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000340267449 444374680 /nfs/dbraw/zinc/37/46/80/444374680.db2.gz IUVJNHCGAOTKFC-FUHWJXTLSA-N 2 2 325.460 2.531 20 0 EDADLP C[C@H]1[C@H]([NH2+]CCNc2cnccn2)CCC[N@H+]1Cc1ccccc1 ZINC000340267449 444374684 /nfs/dbraw/zinc/37/46/84/444374684.db2.gz IUVJNHCGAOTKFC-FUHWJXTLSA-N 2 2 325.460 2.531 20 0 EDADLP C[N@@H+]1CCN(CCNC(=O)Nc2ccn3cc[nH+]c3c2)CC1(C)C ZINC000290840628 444329007 /nfs/dbraw/zinc/32/90/07/444329007.db2.gz YLBDWLRRCXZGAT-UHFFFAOYSA-N 2 2 330.436 1.482 20 0 EDADLP C[N@H+]1CCN(CCNC(=O)Nc2ccn3cc[nH+]c3c2)CC1(C)C ZINC000290840628 444329009 /nfs/dbraw/zinc/32/90/09/444329009.db2.gz YLBDWLRRCXZGAT-UHFFFAOYSA-N 2 2 330.436 1.482 20 0 EDADLP CC[C@@H](Cn1cncn1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000340520768 444422674 /nfs/dbraw/zinc/42/26/74/444422674.db2.gz XTSDCTMRQXHFLZ-KRWDZBQOSA-N 2 2 335.496 1.929 20 0 EDADLP O=C(c1cccn1C1CC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000327479781 444382507 /nfs/dbraw/zinc/38/25/07/444382507.db2.gz LMDHOLGISCJGCM-UHFFFAOYSA-N 2 2 339.443 1.770 20 0 EDADLP Cn1cc(N2CCC[C@H]([NH+]3CCC(c4[nH]cc[nH+]4)CC3)C2=O)cn1 ZINC000328685359 444429396 /nfs/dbraw/zinc/42/93/96/444429396.db2.gz XJBOYYBXIGBKNQ-HNNXBMFYSA-N 2 2 328.420 1.518 20 0 EDADLP C[C@@H](NC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000580764820 322092435 /nfs/dbraw/zinc/09/24/35/322092435.db2.gz OHLMJQUIGJELHV-BEFAXECRSA-N 2 2 345.487 1.792 20 0 EDADLP C[C@@H](NC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000580764820 322092437 /nfs/dbraw/zinc/09/24/37/322092437.db2.gz OHLMJQUIGJELHV-BEFAXECRSA-N 2 2 345.487 1.792 20 0 EDADLP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000580971308 322119406 /nfs/dbraw/zinc/11/94/06/322119406.db2.gz BDESUSAKXTXXFU-GOEBONIOSA-N 2 2 349.479 1.623 20 0 EDADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000580971308 322119408 /nfs/dbraw/zinc/11/94/08/322119408.db2.gz BDESUSAKXTXXFU-GOEBONIOSA-N 2 2 349.479 1.623 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000581132434 322140182 /nfs/dbraw/zinc/14/01/82/322140182.db2.gz IOFWCICKXQTDCQ-UYAOXDASSA-N 3 2 344.503 1.481 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000581132434 322140184 /nfs/dbraw/zinc/14/01/84/322140184.db2.gz IOFWCICKXQTDCQ-UYAOXDASSA-N 3 2 344.503 1.481 20 0 EDADLP COc1ccccc1N1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000581140167 322141442 /nfs/dbraw/zinc/14/14/42/322141442.db2.gz KKMGSJJJDVOCDG-UONOGXRCSA-N 2 2 331.416 1.259 20 0 EDADLP COc1ccccc1N1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000581140167 322141443 /nfs/dbraw/zinc/14/14/43/322141443.db2.gz KKMGSJJJDVOCDG-UONOGXRCSA-N 2 2 331.416 1.259 20 0 EDADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000329223811 444505870 /nfs/dbraw/zinc/50/58/70/444505870.db2.gz YPWTXWMRHUZHDP-ZACQAIPSSA-N 2 2 345.491 1.891 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329251443 444512846 /nfs/dbraw/zinc/51/28/46/444512846.db2.gz YBBIQFWJIOBFHQ-IJEWVQPXSA-N 2 2 346.431 1.697 20 0 EDADLP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329251443 444512849 /nfs/dbraw/zinc/51/28/49/444512849.db2.gz YBBIQFWJIOBFHQ-IJEWVQPXSA-N 2 2 346.431 1.697 20 0 EDADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332498452 444516997 /nfs/dbraw/zinc/51/69/97/444516997.db2.gz UXSPCVDUYYLHDD-HNNXBMFYSA-N 2 2 346.479 1.066 20 0 EDADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc(Br)cc2F)CCC1 ZINC000342140362 444529733 /nfs/dbraw/zinc/52/97/33/444529733.db2.gz OPODWZNBPIHPMM-UHFFFAOYSA-N 2 2 330.201 1.998 20 0 EDADLP CCCCNc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)nc(N)[nH+]1 ZINC000342224515 444574265 /nfs/dbraw/zinc/57/42/65/444574265.db2.gz MJRQUECXYPFHQB-UHFFFAOYSA-N 2 2 344.467 1.327 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343851199 444627954 /nfs/dbraw/zinc/62/79/54/444627954.db2.gz MNRGXEPJOBISPA-BFYDXBDKSA-N 2 2 328.460 1.754 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000343851199 444627956 /nfs/dbraw/zinc/62/79/56/444627956.db2.gz MNRGXEPJOBISPA-BFYDXBDKSA-N 2 2 328.460 1.754 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2Cc2ccccc2)CC1 ZINC000338317650 444628733 /nfs/dbraw/zinc/62/87/33/444628733.db2.gz OOICLCYVFKNMIZ-GOSISDBHSA-N 2 2 331.460 1.094 20 0 EDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2Cc2ccccc2)CC1 ZINC000338317650 444628736 /nfs/dbraw/zinc/62/87/36/444628736.db2.gz OOICLCYVFKNMIZ-GOSISDBHSA-N 2 2 331.460 1.094 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000338302222 444619973 /nfs/dbraw/zinc/61/99/73/444619973.db2.gz BUGLAMNMKQVTJD-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000338302222 444619975 /nfs/dbraw/zinc/61/99/75/444619975.db2.gz BUGLAMNMKQVTJD-UHFFFAOYSA-N 2 2 340.512 1.661 20 0 EDADLP C[N@@H+]1CCC[C@@H]2CN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)CC[C@H]21 ZINC000332995385 444625376 /nfs/dbraw/zinc/62/53/76/444625376.db2.gz ANKJRYQYNZNKCQ-BZUAXINKSA-N 2 2 331.464 1.988 20 0 EDADLP C[N@H+]1CCC[C@@H]2CN(c3nc(N[C@@H]4CCCOC4)cc[nH+]3)CC[C@H]21 ZINC000332995385 444625380 /nfs/dbraw/zinc/62/53/80/444625380.db2.gz ANKJRYQYNZNKCQ-BZUAXINKSA-N 2 2 331.464 1.988 20 0 EDADLP COCC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000338359845 444655027 /nfs/dbraw/zinc/65/50/27/444655027.db2.gz ZWAVTPVWHSVQIR-HNNXBMFYSA-N 2 2 343.512 1.254 20 0 EDADLP CC[N@H+]1C[C@H]([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000343922156 444671575 /nfs/dbraw/zinc/67/15/75/444671575.db2.gz TZQMVSZCYROOKZ-LPHOPBHVSA-N 2 2 344.503 1.785 20 0 EDADLP CC[N@@H+]1C[C@H]([NH2+]Cc2ccccc2N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000343922156 444671577 /nfs/dbraw/zinc/67/15/77/444671577.db2.gz TZQMVSZCYROOKZ-LPHOPBHVSA-N 2 2 344.503 1.785 20 0 EDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343866085 444636255 /nfs/dbraw/zinc/63/62/55/444636255.db2.gz IZOYMROMYVFGAT-LBPRGKRZSA-N 2 2 340.374 1.410 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@@H+]1C ZINC000341167550 444705939 /nfs/dbraw/zinc/70/59/39/444705939.db2.gz PMMFVMIUBYTLNZ-MNOVXSKESA-N 2 2 333.358 1.727 20 0 EDADLP C[C@@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@H+]1C ZINC000341167550 444705941 /nfs/dbraw/zinc/70/59/41/444705941.db2.gz PMMFVMIUBYTLNZ-MNOVXSKESA-N 2 2 333.358 1.727 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333890957 444709768 /nfs/dbraw/zinc/70/97/68/444709768.db2.gz GXLGFPQBMQMEQT-CVEARBPZSA-N 2 2 329.448 1.718 20 0 EDADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000343988197 444712560 /nfs/dbraw/zinc/71/25/60/444712560.db2.gz YSTGFMGNCKQIBU-UONOGXRCSA-N 2 2 327.494 1.928 20 0 EDADLP C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333634410 444687387 /nfs/dbraw/zinc/68/73/87/444687387.db2.gz BHIQSOPSUVEMBL-ZBFHGGJFSA-N 2 2 333.484 1.219 20 0 EDADLP C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333634410 444687390 /nfs/dbraw/zinc/68/73/90/444687390.db2.gz BHIQSOPSUVEMBL-ZBFHGGJFSA-N 2 2 333.484 1.219 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@@H+]3C)nc[nH+]2)C1 ZINC000334027696 444751533 /nfs/dbraw/zinc/75/15/33/444751533.db2.gz IMBWBFYMNLEQQR-GVDBMIGSSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@H+]3C)nc[nH+]2)C1 ZINC000334027696 444751536 /nfs/dbraw/zinc/75/15/36/444751536.db2.gz IMBWBFYMNLEQQR-GVDBMIGSSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@@H+]3C)[nH+]cn2)C1 ZINC000334027696 444751541 /nfs/dbraw/zinc/75/15/41/444751541.db2.gz IMBWBFYMNLEQQR-GVDBMIGSSA-N 2 2 347.507 1.994 20 0 EDADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@H+]3C)[nH+]cn2)C1 ZINC000334027696 444751543 /nfs/dbraw/zinc/75/15/43/444751543.db2.gz IMBWBFYMNLEQQR-GVDBMIGSSA-N 2 2 347.507 1.994 20 0 EDADLP COC1CC[NH+](C2(CNC(=O)CCn3cc[nH+]c3)CCCC2)CC1 ZINC000341302568 444769846 /nfs/dbraw/zinc/76/98/46/444769846.db2.gz RKKHZQJRHBIYTC-UHFFFAOYSA-N 2 2 334.464 1.813 20 0 EDADLP CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000344100595 444781368 /nfs/dbraw/zinc/78/13/68/444781368.db2.gz NJCPKVUQHTYZJZ-HNNXBMFYSA-N 2 2 342.509 1.655 20 0 EDADLP CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000344100595 444781372 /nfs/dbraw/zinc/78/13/72/444781372.db2.gz NJCPKVUQHTYZJZ-HNNXBMFYSA-N 2 2 342.509 1.655 20 0 EDADLP COc1cccc([C@@H](CNC(=O)[C@@H]2CC[NH2+]CC2(F)F)[NH+](C)C)c1 ZINC000342696667 444820851 /nfs/dbraw/zinc/82/08/51/444820851.db2.gz QPHJZSWLLCIYGK-LSDHHAIUSA-N 2 2 341.402 1.659 20 0 EDADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000336793783 444796924 /nfs/dbraw/zinc/79/69/24/444796924.db2.gz YIMXZNZKLJHVOS-ZVDOUQERSA-N 3 2 343.515 1.895 20 0 EDADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000336793783 444796928 /nfs/dbraw/zinc/79/69/28/444796928.db2.gz YIMXZNZKLJHVOS-ZVDOUQERSA-N 3 2 343.515 1.895 20 0 EDADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000336793783 444796931 /nfs/dbraw/zinc/79/69/31/444796931.db2.gz YIMXZNZKLJHVOS-ZVDOUQERSA-N 3 2 343.515 1.895 20 0 EDADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000336793783 444796934 /nfs/dbraw/zinc/79/69/34/444796934.db2.gz YIMXZNZKLJHVOS-ZVDOUQERSA-N 3 2 343.515 1.895 20 0 EDADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)Nc1nccs1 ZINC000344135633 444800897 /nfs/dbraw/zinc/80/08/97/444800897.db2.gz SDARVCXUNFRBNL-UHFFFAOYSA-N 2 2 339.509 1.431 20 0 EDADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)Nc1nccs1 ZINC000344135633 444800902 /nfs/dbraw/zinc/80/09/02/444800902.db2.gz SDARVCXUNFRBNL-UHFFFAOYSA-N 2 2 339.509 1.431 20 0 EDADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000342698338 444821316 /nfs/dbraw/zinc/82/13/16/444821316.db2.gz SRZVXQVSYNSESQ-WBVHZDCISA-N 2 2 326.444 1.978 20 0 EDADLP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000336869202 444813286 /nfs/dbraw/zinc/81/32/86/444813286.db2.gz ABBWTSMBNXGWCS-INIZCTEOSA-N 2 2 343.537 1.608 20 0 EDADLP Cc1[nH+]ccn1CCCNC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000338731630 444826898 /nfs/dbraw/zinc/82/68/98/444826898.db2.gz SGJPQTBYFVCFNY-HUUCEWRRSA-N 2 2 337.468 1.332 20 0 EDADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[NH+](Cc2cccs2)CC1 ZINC000342760372 444852254 /nfs/dbraw/zinc/85/22/54/444852254.db2.gz WCEQMSOSNCGLTQ-CYBMUJFWSA-N 2 2 329.416 1.637 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341506111 444867272 /nfs/dbraw/zinc/86/72/72/444867272.db2.gz HSXSRWSHQQDCJJ-JKSUJKDBSA-N 2 2 340.512 1.166 20 0 EDADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341506111 444867276 /nfs/dbraw/zinc/86/72/76/444867276.db2.gz HSXSRWSHQQDCJJ-JKSUJKDBSA-N 2 2 340.512 1.166 20 0 EDADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](C4CCCC4)C3)C[C@H]21 ZINC000341544537 444885469 /nfs/dbraw/zinc/88/54/69/444885469.db2.gz CYVWNWAXQXVRNR-USXIJHARSA-N 2 2 336.480 1.118 20 0 EDADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](C4CCCC4)C3)C[C@H]21 ZINC000341544537 444885473 /nfs/dbraw/zinc/88/54/73/444885473.db2.gz CYVWNWAXQXVRNR-USXIJHARSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)C[C@H]21 ZINC000341544537 444885475 /nfs/dbraw/zinc/88/54/75/444885475.db2.gz CYVWNWAXQXVRNR-USXIJHARSA-N 2 2 336.480 1.118 20 0 EDADLP C[NH+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)C[C@H]21 ZINC000341544537 444885479 /nfs/dbraw/zinc/88/54/79/444885479.db2.gz CYVWNWAXQXVRNR-USXIJHARSA-N 2 2 336.480 1.118 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341550385 444889049 /nfs/dbraw/zinc/88/90/49/444889049.db2.gz SIDFBBUHBHLTJL-BETUJISGSA-N 2 2 334.420 1.408 20 0 EDADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341550385 444889055 /nfs/dbraw/zinc/88/90/55/444889055.db2.gz SIDFBBUHBHLTJL-BETUJISGSA-N 2 2 334.420 1.408 20 0 EDADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(OC)c2)C1 ZINC000341583030 444906764 /nfs/dbraw/zinc/90/67/64/444906764.db2.gz DEBSWGFCPOLXNI-GDBMZVCRSA-N 2 2 335.448 1.723 20 0 EDADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(OC)c2)C1 ZINC000341583030 444906766 /nfs/dbraw/zinc/90/67/66/444906766.db2.gz DEBSWGFCPOLXNI-GDBMZVCRSA-N 2 2 335.448 1.723 20 0 EDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000342966800 444974610 /nfs/dbraw/zinc/97/46/10/444974610.db2.gz RTIJPJBOEUISFO-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000342966800 444974612 /nfs/dbraw/zinc/97/46/12/444974612.db2.gz RTIJPJBOEUISFO-DLBZAZTESA-N 2 2 340.512 1.661 20 0 EDADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330308612 444931593 /nfs/dbraw/zinc/93/15/93/444931593.db2.gz MIKQJZQSPPYUCF-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330308612 444931599 /nfs/dbraw/zinc/93/15/99/444931599.db2.gz MIKQJZQSPPYUCF-HUUCEWRRSA-N 2 2 332.448 1.157 20 0 EDADLP CCc1oc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C(=O)OC ZINC000338927868 444937752 /nfs/dbraw/zinc/93/77/52/444937752.db2.gz RRHABCSPIIYTDN-UHFFFAOYSA-N 2 2 349.475 1.842 20 0 EDADLP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000337382264 445057545 /nfs/dbraw/zinc/05/75/45/445057545.db2.gz BFWRZKBZBPAXHX-HNNXBMFYSA-N 2 2 348.443 1.968 20 0 EDADLP COc1cc2c(cc1C[N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)OCO2 ZINC000337382264 445057547 /nfs/dbraw/zinc/05/75/47/445057547.db2.gz BFWRZKBZBPAXHX-HNNXBMFYSA-N 2 2 348.443 1.968 20 0 EDADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[NH+](CC2CCC2)CC1 ZINC000339199719 445085711 /nfs/dbraw/zinc/08/57/11/445085711.db2.gz AEZXYBPJOWMIOD-LJQANCHMSA-N 2 2 349.519 1.822 20 0 EDADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[NH+](CC2CCC2)CC1 ZINC000339199719 445085714 /nfs/dbraw/zinc/08/57/14/445085714.db2.gz AEZXYBPJOWMIOD-LJQANCHMSA-N 2 2 349.519 1.822 20 0 EDADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000339199719 445085718 /nfs/dbraw/zinc/08/57/18/445085718.db2.gz AEZXYBPJOWMIOD-LJQANCHMSA-N 2 2 349.519 1.822 20 0 EDADLP O=C([C@H]1COCC[NH+]1CC1CCC1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000339199719 445085721 /nfs/dbraw/zinc/08/57/21/445085721.db2.gz AEZXYBPJOWMIOD-LJQANCHMSA-N 2 2 349.519 1.822 20 0 EDADLP CCc1cc(OC)ccc1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000337538881 445126417 /nfs/dbraw/zinc/12/64/17/445126417.db2.gz HQYGLYAJEKPCSU-UHFFFAOYSA-N 2 2 345.487 1.998 20 0 EDADLP CCc1ccc([C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC[NH2+]2)cc1 ZINC000337568438 445142287 /nfs/dbraw/zinc/14/22/87/445142287.db2.gz CATDFLSRMOYBDS-ZWKOTPCHSA-N 2 2 331.460 1.443 20 0 EDADLP CCc1ccc([C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC[NH2+]2)cc1 ZINC000337568438 445142290 /nfs/dbraw/zinc/14/22/90/445142290.db2.gz CATDFLSRMOYBDS-ZWKOTPCHSA-N 2 2 331.460 1.443 20 0 EDADLP C[N@H+](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)[C@H]1CCSC1 ZINC000337574477 445146346 /nfs/dbraw/zinc/14/63/46/445146346.db2.gz FHVZMJYUTLQZBV-JKSUJKDBSA-N 2 2 337.464 1.736 20 0 EDADLP C[N@@H+](CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1)[C@H]1CCSC1 ZINC000337574477 445146352 /nfs/dbraw/zinc/14/63/52/445146352.db2.gz FHVZMJYUTLQZBV-JKSUJKDBSA-N 2 2 337.464 1.736 20 0 EDADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@@H]2CCCCS2)CC1 ZINC000346299049 445211287 /nfs/dbraw/zinc/21/12/87/445211287.db2.gz PUKWSXOQSSCQSR-KRWDZBQOSA-N 2 2 327.538 1.658 20 0 EDADLP C(C[NH+]1CCC([NH2+]C[C@@H]2CCCCS2)CC1)N1CCOCC1 ZINC000346299049 445211288 /nfs/dbraw/zinc/21/12/88/445211288.db2.gz PUKWSXOQSSCQSR-KRWDZBQOSA-N 2 2 327.538 1.658 20 0 EDADLP CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000343401968 445216137 /nfs/dbraw/zinc/21/61/37/445216137.db2.gz WBPLAFIVNOVFCV-HNNXBMFYSA-N 2 2 348.447 1.004 20 0 EDADLP CCOC(=O)CC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000343401968 445216139 /nfs/dbraw/zinc/21/61/39/445216139.db2.gz WBPLAFIVNOVFCV-HNNXBMFYSA-N 2 2 348.447 1.004 20 0 EDADLP CN(C)C(=O)COC[C@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)CC(C)(C)O1 ZINC000343334985 445202963 /nfs/dbraw/zinc/20/29/63/445202963.db2.gz CZXDYCUGSBJFPR-HZPDHXFCSA-N 2 2 341.496 1.055 20 0 EDADLP CN(C)C(=O)COC[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC(C)(C)O1 ZINC000343334985 445202964 /nfs/dbraw/zinc/20/29/64/445202964.db2.gz CZXDYCUGSBJFPR-HZPDHXFCSA-N 2 2 341.496 1.055 20 0 EDADLP CN(C)C(=O)COC[C@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC(C)(C)O1 ZINC000343334985 445202966 /nfs/dbraw/zinc/20/29/66/445202966.db2.gz CZXDYCUGSBJFPR-HZPDHXFCSA-N 2 2 341.496 1.055 20 0 EDADLP CN(C)C(=O)COC[C@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC(C)(C)O1 ZINC000343334985 445202968 /nfs/dbraw/zinc/20/29/68/445202968.db2.gz CZXDYCUGSBJFPR-HZPDHXFCSA-N 2 2 341.496 1.055 20 0 EDADLP CCN(CC)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346922429 445227553 /nfs/dbraw/zinc/22/75/53/445227553.db2.gz KNFRNZDTGXAGBG-YJBOKZPZSA-N 2 2 335.496 1.603 20 0 EDADLP CCN(CC)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000346922429 445227555 /nfs/dbraw/zinc/22/75/55/445227555.db2.gz KNFRNZDTGXAGBG-YJBOKZPZSA-N 2 2 335.496 1.603 20 0 EDADLP CCN(CC)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346922429 445227556 /nfs/dbraw/zinc/22/75/56/445227556.db2.gz KNFRNZDTGXAGBG-YJBOKZPZSA-N 2 2 335.496 1.603 20 0 EDADLP CCN(CC)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000346922429 445227558 /nfs/dbraw/zinc/22/75/58/445227558.db2.gz KNFRNZDTGXAGBG-YJBOKZPZSA-N 2 2 335.496 1.603 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@H+](C)[C@H]2CCCCNC2=O)CCC[NH+]1C ZINC000346912524 445227863 /nfs/dbraw/zinc/22/78/63/445227863.db2.gz FEJWIUUEUWJBAN-XIRDDKMYSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[N@@H+](C)[C@H]2CCCCNC2=O)CCC[NH+]1C ZINC000346912524 445227864 /nfs/dbraw/zinc/22/78/64/445227864.db2.gz FEJWIUUEUWJBAN-XIRDDKMYSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)[C@H]2CCCCNC2=O)CCC[N@@H+]1C ZINC000346912524 445227865 /nfs/dbraw/zinc/22/78/65/445227865.db2.gz FEJWIUUEUWJBAN-XIRDDKMYSA-N 2 2 333.480 1.404 20 0 EDADLP Cn1nccc1[C@@H]1[C@H](C[NH+](C)[C@H]2CCCCNC2=O)CCC[N@H+]1C ZINC000346912524 445227867 /nfs/dbraw/zinc/22/78/67/445227867.db2.gz FEJWIUUEUWJBAN-XIRDDKMYSA-N 2 2 333.480 1.404 20 0 EDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000343546208 445241891 /nfs/dbraw/zinc/24/18/91/445241891.db2.gz FSLOXZMQNQESMB-UHFFFAOYSA-N 2 2 341.496 1.594 20 0 EDADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+]CC3(F)F)CC2)s1 ZINC000343549837 445242364 /nfs/dbraw/zinc/24/23/64/445242364.db2.gz UWKPABCDOJUKFS-CYBMUJFWSA-N 2 2 344.431 1.341 20 0 EDADLP CCCNC(=O)[C@H](C)[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348105674 445269832 /nfs/dbraw/zinc/26/98/32/445269832.db2.gz QHJLVMUUCRCABY-RRFJBIMHSA-N 2 2 339.459 1.179 20 0 EDADLP CCCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000348105674 445269834 /nfs/dbraw/zinc/26/98/34/445269834.db2.gz QHJLVMUUCRCABY-RRFJBIMHSA-N 2 2 339.459 1.179 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000348487405 445305961 /nfs/dbraw/zinc/30/59/61/445305961.db2.gz BLCJMJSVGSOHKW-LJQANCHMSA-N 2 2 331.460 1.772 20 0 EDADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000348487405 445305963 /nfs/dbraw/zinc/30/59/63/445305963.db2.gz BLCJMJSVGSOHKW-LJQANCHMSA-N 2 2 331.460 1.772 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCSC1 ZINC000354509342 445270363 /nfs/dbraw/zinc/27/03/63/445270363.db2.gz KXEKAXFZRZITDY-DOTOQJQBSA-N 2 2 341.521 1.183 20 0 EDADLP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCSC1 ZINC000354509342 445270366 /nfs/dbraw/zinc/27/03/66/445270366.db2.gz KXEKAXFZRZITDY-DOTOQJQBSA-N 2 2 341.521 1.183 20 0 EDADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(F)cn1 ZINC000348107914 445271342 /nfs/dbraw/zinc/27/13/42/445271342.db2.gz JPJQGFCDMJKVFP-OLZOCXBDSA-N 2 2 338.427 1.467 20 0 EDADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(F)cn1 ZINC000348107914 445271344 /nfs/dbraw/zinc/27/13/44/445271344.db2.gz JPJQGFCDMJKVFP-OLZOCXBDSA-N 2 2 338.427 1.467 20 0 EDADLP C[NH+](C)Cc1cnc(CN2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000348110066 445272462 /nfs/dbraw/zinc/27/24/62/445272462.db2.gz DYQMSHAPIVRLPG-UHFFFAOYSA-N 2 2 331.489 1.918 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348274905 445335238 /nfs/dbraw/zinc/33/52/38/445335238.db2.gz KPDQEJPJURWZIO-HIFRSBDPSA-N 2 2 338.496 1.663 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348274905 445335240 /nfs/dbraw/zinc/33/52/40/445335240.db2.gz KPDQEJPJURWZIO-HIFRSBDPSA-N 2 2 338.496 1.663 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348274905 445335242 /nfs/dbraw/zinc/33/52/42/445335242.db2.gz KPDQEJPJURWZIO-HIFRSBDPSA-N 2 2 338.496 1.663 20 0 EDADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348274905 445335243 /nfs/dbraw/zinc/33/52/43/445335243.db2.gz KPDQEJPJURWZIO-HIFRSBDPSA-N 2 2 338.496 1.663 20 0 EDADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000354702577 445345585 /nfs/dbraw/zinc/34/55/85/445345585.db2.gz YSIWFHHDQFNQDZ-OAHLLOKOSA-N 2 2 327.388 1.069 20 0 EDADLP COc1cc(N2CC[NH+](CCCc3ccc(C)[nH+]c3)CC2)ncn1 ZINC000354642553 445324761 /nfs/dbraw/zinc/32/47/61/445324761.db2.gz DWNXCMVZQDDBOE-UHFFFAOYSA-N 2 2 327.432 1.943 20 0 EDADLP CN(CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000362483900 445406467 /nfs/dbraw/zinc/40/64/67/445406467.db2.gz FHHYWBOODCKTQZ-KRWDZBQOSA-N 2 2 336.524 1.489 20 0 EDADLP CN(CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000362483900 445406472 /nfs/dbraw/zinc/40/64/72/445406472.db2.gz FHHYWBOODCKTQZ-KRWDZBQOSA-N 2 2 336.524 1.489 20 0 EDADLP Cc1cc(NC(=O)CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)no1 ZINC000359758264 445412436 /nfs/dbraw/zinc/41/24/36/445412436.db2.gz NBKNKAJIAZVVIM-UHFFFAOYSA-N 2 2 329.404 1.837 20 0 EDADLP Cn1ccnc1C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000362506720 445416928 /nfs/dbraw/zinc/41/69/28/445416928.db2.gz NEQUYUCIDRJFOB-INIZCTEOSA-N 2 2 333.480 1.185 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000357086131 445418295 /nfs/dbraw/zinc/41/82/95/445418295.db2.gz RNPVTBTWSXNHDY-QXAKKESOSA-N 2 2 345.487 1.812 20 0 EDADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000357086131 445418297 /nfs/dbraw/zinc/41/82/97/445418297.db2.gz RNPVTBTWSXNHDY-QXAKKESOSA-N 2 2 345.487 1.812 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)C2=O)c1 ZINC000357093993 445424376 /nfs/dbraw/zinc/42/43/76/445424376.db2.gz XNEAWFQWAHNVLT-DEYYWGMASA-N 2 2 345.443 1.350 20 0 EDADLP COc1cc(OC)cc(N2CC[C@H]([N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)C2=O)c1 ZINC000357093993 445424382 /nfs/dbraw/zinc/42/43/82/445424382.db2.gz XNEAWFQWAHNVLT-DEYYWGMASA-N 2 2 345.443 1.350 20 0 EDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1Cc1ccccc1 ZINC000357173610 445466871 /nfs/dbraw/zinc/46/68/71/445466871.db2.gz AOSONMOTEPQQNR-PKOBYXMFSA-N 2 2 338.455 1.831 20 0 EDADLP C[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1Cc1ccccc1 ZINC000357173610 445466876 /nfs/dbraw/zinc/46/68/76/445466876.db2.gz AOSONMOTEPQQNR-PKOBYXMFSA-N 2 2 338.455 1.831 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000362720666 445518555 /nfs/dbraw/zinc/51/85/55/445518555.db2.gz YULCLDHWTYYUQF-MAUKXSAKSA-N 2 2 348.466 1.312 20 0 EDADLP C[NH+]1CCN(C[C@@H]2CCC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)CC1 ZINC000362720666 445518557 /nfs/dbraw/zinc/51/85/57/445518557.db2.gz YULCLDHWTYYUQF-MAUKXSAKSA-N 2 2 348.466 1.312 20 0 EDADLP CS[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCSCC2)C[C@H]1[NH+]1CCCC1 ZINC000352473297 445532475 /nfs/dbraw/zinc/53/24/75/445532475.db2.gz SAVJQTMHMXFEET-RBSFLKMASA-N 2 2 343.562 1.462 20 0 EDADLP CC(C)[N@@H+](CC(=O)N1CCCCCC1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352091622 445487361 /nfs/dbraw/zinc/48/73/61/445487361.db2.gz GIEBWJIPXKRCJM-KRWDZBQOSA-N 2 2 325.497 1.555 20 0 EDADLP CC(C)[N@H+](CC(=O)N1CCCCCC1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352091622 445487364 /nfs/dbraw/zinc/48/73/64/445487364.db2.gz GIEBWJIPXKRCJM-KRWDZBQOSA-N 2 2 325.497 1.555 20 0 EDADLP CC(C)[NH+](CC(=O)N1CCCCCC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352091622 445487366 /nfs/dbraw/zinc/48/73/66/445487366.db2.gz GIEBWJIPXKRCJM-KRWDZBQOSA-N 2 2 325.497 1.555 20 0 EDADLP CC(C)[NH+](CC(=O)N1CCCCCC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352091622 445487369 /nfs/dbraw/zinc/48/73/69/445487369.db2.gz GIEBWJIPXKRCJM-KRWDZBQOSA-N 2 2 325.497 1.555 20 0 EDADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352520484 445535489 /nfs/dbraw/zinc/53/54/89/445535489.db2.gz YTSJMFQFHHVFIS-FPSMNIFISA-N 2 2 336.524 1.295 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000359939039 445496568 /nfs/dbraw/zinc/49/65/68/445496568.db2.gz NATOIZQHXRVNGN-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000359939039 445496571 /nfs/dbraw/zinc/49/65/71/445496571.db2.gz NATOIZQHXRVNGN-IXDOHACOSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000359939834 445497417 /nfs/dbraw/zinc/49/74/17/445497417.db2.gz OMEZBZPXAFQKLB-IKGGRYGDSA-N 2 2 338.496 1.365 20 0 EDADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000359939916 445497680 /nfs/dbraw/zinc/49/76/80/445497680.db2.gz DTQZCKVBASMMOG-QFBILLFUSA-N 2 2 344.503 1.504 20 0 EDADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000359939916 445497682 /nfs/dbraw/zinc/49/76/82/445497682.db2.gz DTQZCKVBASMMOG-QFBILLFUSA-N 2 2 344.503 1.504 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000362683971 445499068 /nfs/dbraw/zinc/49/90/68/445499068.db2.gz NEKADOWRDSEPGJ-SFHVURJKSA-N 3 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000362683971 445499072 /nfs/dbraw/zinc/49/90/72/445499072.db2.gz NEKADOWRDSEPGJ-SFHVURJKSA-N 3 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000362683971 445499073 /nfs/dbraw/zinc/49/90/73/445499073.db2.gz NEKADOWRDSEPGJ-SFHVURJKSA-N 2 2 339.443 1.269 20 0 EDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000362683971 445499076 /nfs/dbraw/zinc/49/90/76/445499076.db2.gz NEKADOWRDSEPGJ-SFHVURJKSA-N 2 2 339.443 1.269 20 0 EDADLP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccn(C)n1 ZINC000349503326 445600358 /nfs/dbraw/zinc/60/03/58/445600358.db2.gz AQJZKZIQOXVCOM-KGLIPLIRSA-N 2 2 329.452 1.962 20 0 EDADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358249112 445613809 /nfs/dbraw/zinc/61/38/09/445613809.db2.gz KAWMWWVQTINRSG-PMACEKPBSA-N 2 2 347.503 1.279 20 0 EDADLP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358249112 445613813 /nfs/dbraw/zinc/61/38/13/445613813.db2.gz KAWMWWVQTINRSG-PMACEKPBSA-N 2 2 347.503 1.279 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000349614784 445623291 /nfs/dbraw/zinc/62/32/91/445623291.db2.gz ULZCBEUZYARYHR-INIZCTEOSA-N 3 2 345.491 1.416 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000349614784 445623295 /nfs/dbraw/zinc/62/32/95/445623295.db2.gz ULZCBEUZYARYHR-INIZCTEOSA-N 3 2 345.491 1.416 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353498617 445629798 /nfs/dbraw/zinc/62/97/98/445629798.db2.gz APNJOHHMVJVTMN-HIFRSBDPSA-N 2 2 333.432 1.779 20 0 EDADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353498617 445629800 /nfs/dbraw/zinc/62/98/00/445629800.db2.gz APNJOHHMVJVTMN-HIFRSBDPSA-N 2 2 333.432 1.779 20 0 EDADLP O=C(NCCCn1cc[nH+]c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356123209 445634058 /nfs/dbraw/zinc/63/40/58/445634058.db2.gz GXDWOVKLTXPZOD-UHFFFAOYSA-N 2 2 335.452 1.217 20 0 EDADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000356127702 445636324 /nfs/dbraw/zinc/63/63/24/445636324.db2.gz DSZQURJIWWFYFP-CYBMUJFWSA-N 2 2 326.485 1.316 20 0 EDADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000356127702 445636330 /nfs/dbraw/zinc/63/63/30/445636330.db2.gz DSZQURJIWWFYFP-CYBMUJFWSA-N 2 2 326.485 1.316 20 0 EDADLP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[N@@H+]1CCO[C@H](CC)C1 ZINC000356212174 445678153 /nfs/dbraw/zinc/67/81/53/445678153.db2.gz GBHNNLISPOAJBQ-ZHALLVOQSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[N@H+]1CCO[C@H](CC)C1 ZINC000356212174 445678156 /nfs/dbraw/zinc/67/81/56/445678156.db2.gz GBHNNLISPOAJBQ-ZHALLVOQSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+]1CCO[C@H](CC)C1 ZINC000356212174 445678158 /nfs/dbraw/zinc/67/81/58/445678158.db2.gz GBHNNLISPOAJBQ-ZHALLVOQSA-N 2 2 337.508 1.820 20 0 EDADLP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCO[C@H](CC)C1 ZINC000356212174 445678161 /nfs/dbraw/zinc/67/81/61/445678161.db2.gz GBHNNLISPOAJBQ-ZHALLVOQSA-N 2 2 337.508 1.820 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000363176645 445708192 /nfs/dbraw/zinc/70/81/92/445708192.db2.gz LCZFJLFBLZDPKD-QAPCUYQASA-N 2 2 330.480 1.943 20 0 EDADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000363176645 445708196 /nfs/dbraw/zinc/70/81/96/445708196.db2.gz LCZFJLFBLZDPKD-QAPCUYQASA-N 2 2 330.480 1.943 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000353703178 445716808 /nfs/dbraw/zinc/71/68/08/445716808.db2.gz ARWPFDDCBANYNE-NXHRZFHOSA-N 2 2 335.492 1.430 20 0 EDADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000353818786 445770057 /nfs/dbraw/zinc/77/00/57/445770057.db2.gz VXCMTOFKKYMSGX-KRWDZBQOSA-N 2 2 342.443 1.872 20 0 EDADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000353818786 445770060 /nfs/dbraw/zinc/77/00/60/445770060.db2.gz VXCMTOFKKYMSGX-KRWDZBQOSA-N 2 2 342.443 1.872 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccsc1 ZINC000350033874 445753258 /nfs/dbraw/zinc/75/32/58/445753258.db2.gz OBKAGVGLTBDRGB-ILXRZTDVSA-N 2 2 338.477 1.075 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccsc1 ZINC000350033874 445753263 /nfs/dbraw/zinc/75/32/63/445753263.db2.gz OBKAGVGLTBDRGB-ILXRZTDVSA-N 2 2 338.477 1.075 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C1(N2CC[NH+](C)CC2)CCCC1 ZINC000363297746 445755949 /nfs/dbraw/zinc/75/59/49/445755949.db2.gz XWYIGQPOAJRTLF-QGZVFWFLSA-N 2 2 336.524 1.537 20 0 EDADLP CC(C)[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000353798568 445760993 /nfs/dbraw/zinc/76/09/93/445760993.db2.gz NSFLBEJNFIRXMW-INIZCTEOSA-N 2 2 326.485 1.079 20 0 EDADLP COCC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353946595 445822005 /nfs/dbraw/zinc/82/20/05/445822005.db2.gz IFAWPQJVLZGLAE-AJYUKVHDSA-N 2 2 337.508 1.865 20 0 EDADLP COCC[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353946595 445822009 /nfs/dbraw/zinc/82/20/09/445822009.db2.gz IFAWPQJVLZGLAE-AJYUKVHDSA-N 2 2 337.508 1.865 20 0 EDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](CO)CCC(C)(C)C)CC1 ZINC000354076345 445888955 /nfs/dbraw/zinc/88/89/55/445888955.db2.gz UALXLGRYFAKPRB-OAHLLOKOSA-N 2 2 342.528 1.499 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000361687231 445877856 /nfs/dbraw/zinc/87/78/56/445877856.db2.gz NRDVBZRBELIPGH-KURKYZTESA-N 2 2 337.508 1.820 20 0 EDADLP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000361687231 445877860 /nfs/dbraw/zinc/87/78/60/445877860.db2.gz NRDVBZRBELIPGH-KURKYZTESA-N 2 2 337.508 1.820 20 0 EDADLP CN(C(=O)CC(C)(C)O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000350683437 445879144 /nfs/dbraw/zinc/87/91/44/445879144.db2.gz GRPKDTOFKUFZND-IAGOWNOFSA-N 2 2 339.524 1.943 20 0 EDADLP CN(C(=O)CC(C)(C)O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000350683437 445879146 /nfs/dbraw/zinc/87/91/46/445879146.db2.gz GRPKDTOFKUFZND-IAGOWNOFSA-N 2 2 339.524 1.943 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000363505971 445835861 /nfs/dbraw/zinc/83/58/61/445835861.db2.gz DERFKPQGLNNQSX-HZPDHXFCSA-N 2 2 334.464 1.627 20 0 EDADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000363505971 445835864 /nfs/dbraw/zinc/83/58/64/445835864.db2.gz DERFKPQGLNNQSX-HZPDHXFCSA-N 2 2 334.464 1.627 20 0 EDADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361627373 445854765 /nfs/dbraw/zinc/85/47/65/445854765.db2.gz MWYBGBNINVRTSC-CQSZACIVSA-N 2 2 325.416 1.454 20 0 EDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnc(N(C)C)nc3)CC2)CC1 ZINC000354043831 445871410 /nfs/dbraw/zinc/87/14/10/445871410.db2.gz CGSNRGDNAUPBJC-UHFFFAOYSA-N 2 2 346.523 1.533 20 0 EDADLP Cc1ccc(C)c(OCC[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000361676353 445873378 /nfs/dbraw/zinc/87/33/78/445873378.db2.gz WTQFPHYPKUWCKC-SFHVURJKSA-N 2 2 345.487 1.921 20 0 EDADLP Cc1ccc(C)c(OCC[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000361676353 445873379 /nfs/dbraw/zinc/87/33/79/445873379.db2.gz WTQFPHYPKUWCKC-SFHVURJKSA-N 2 2 345.487 1.921 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000369129901 445943999 /nfs/dbraw/zinc/94/39/99/445943999.db2.gz IXFRKZDFLINBTG-KZNAEPCWSA-N 2 2 335.492 1.715 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000369129901 445944002 /nfs/dbraw/zinc/94/40/02/445944002.db2.gz IXFRKZDFLINBTG-KZNAEPCWSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000369129901 445944006 /nfs/dbraw/zinc/94/40/06/445944006.db2.gz IXFRKZDFLINBTG-KZNAEPCWSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000369129901 445944010 /nfs/dbraw/zinc/94/40/10/445944010.db2.gz IXFRKZDFLINBTG-KZNAEPCWSA-N 2 2 335.492 1.715 20 0 EDADLP C[NH+](C)[C@H](CN1C(=O)N[C@H](Cc2c[nH+]c[nH]2)C1=O)c1cccs1 ZINC000359027164 445896187 /nfs/dbraw/zinc/89/61/87/445896187.db2.gz FBDUDQQEVGQXMA-VXGBXAGGSA-N 2 2 333.417 1.237 20 0 EDADLP C[NH+](C)[C@H](CN1C(=O)N[C@H](Cc2c[nH]c[nH+]2)C1=O)c1cccs1 ZINC000359027164 445896191 /nfs/dbraw/zinc/89/61/91/445896191.db2.gz FBDUDQQEVGQXMA-VXGBXAGGSA-N 2 2 333.417 1.237 20 0 EDADLP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000361746972 445912778 /nfs/dbraw/zinc/91/27/78/445912778.db2.gz LPRYLSQOUFEEHS-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC000361746972 445912782 /nfs/dbraw/zinc/91/27/82/445912782.db2.gz LPRYLSQOUFEEHS-JYJNAYRXSA-N 2 2 326.485 1.221 20 0 EDADLP CCC[NH+]1CCN(C2CC[NH+](CC(=O)NC3CCCC3)CC2)CC1 ZINC000369157064 445959323 /nfs/dbraw/zinc/95/93/23/445959323.db2.gz RBELBGNPDYMZKV-UHFFFAOYSA-N 2 2 336.524 1.537 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC(=O)OC(C)(C)C)C2)CC1 ZINC000373007677 445972091 /nfs/dbraw/zinc/97/20/91/445972091.db2.gz KVCNLHMPFGSFPD-AWEZNQCLSA-N 2 2 339.480 1.393 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC(=O)OC(C)(C)C)C2)CC1 ZINC000373007677 445972097 /nfs/dbraw/zinc/97/20/97/445972097.db2.gz KVCNLHMPFGSFPD-AWEZNQCLSA-N 2 2 339.480 1.393 20 0 EDADLP Cc1ccc(CCC[NH2+]CCN2CCN(c3ncccn3)CC2)c[nH+]1 ZINC000354185035 445980039 /nfs/dbraw/zinc/98/00/39/445980039.db2.gz BQJIHWRMJWSFIK-UHFFFAOYSA-N 2 2 340.475 1.524 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000366078371 445999111 /nfs/dbraw/zinc/99/91/11/445999111.db2.gz LKCSBKSKGQVBRW-ZWKOTPCHSA-N 2 2 346.475 1.452 20 0 EDADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000366078371 445999115 /nfs/dbraw/zinc/99/91/15/445999115.db2.gz LKCSBKSKGQVBRW-ZWKOTPCHSA-N 2 2 346.475 1.452 20 0 EDADLP CCNc1nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)nc(NC(C)(C)C)[nH+]1 ZINC000366110059 446019130 /nfs/dbraw/zinc/01/91/30/446019130.db2.gz HIPIXXLAVPETRN-KRWDZBQOSA-N 2 2 333.484 1.468 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]1 ZINC000366110059 446019136 /nfs/dbraw/zinc/01/91/36/446019136.db2.gz HIPIXXLAVPETRN-KRWDZBQOSA-N 2 2 333.484 1.468 20 0 EDADLP CCNc1nc(NC(C)(C)C)nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]1 ZINC000366110059 446019142 /nfs/dbraw/zinc/01/91/42/446019142.db2.gz HIPIXXLAVPETRN-KRWDZBQOSA-N 2 2 333.484 1.468 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000366110059 446019147 /nfs/dbraw/zinc/01/91/47/446019147.db2.gz HIPIXXLAVPETRN-KRWDZBQOSA-N 2 2 333.484 1.468 20 0 EDADLP CCNc1nc(NC(C)(C)C)[nH+]c(N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000366110059 446019154 /nfs/dbraw/zinc/01/91/54/446019154.db2.gz HIPIXXLAVPETRN-KRWDZBQOSA-N 2 2 333.484 1.468 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC=C(c3cncc(F)c3)CC2)CC1 ZINC000369264320 446030656 /nfs/dbraw/zinc/03/06/56/446030656.db2.gz HNGCYSPLFICUKD-OAHLLOKOSA-N 2 2 346.450 1.862 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC=C(c3cncc(F)c3)CC2)CC1 ZINC000369264320 446030660 /nfs/dbraw/zinc/03/06/60/446030660.db2.gz HNGCYSPLFICUKD-OAHLLOKOSA-N 2 2 346.450 1.862 20 0 EDADLP CCc1ccccc1CC[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000373114918 446038519 /nfs/dbraw/zinc/03/85/19/446038519.db2.gz FPWYZTZDVAKSOI-FQEVSTJZSA-N 2 2 331.504 1.740 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(C(C)(C)C)n[nH]3)C2)CC1 ZINC000369273552 446038918 /nfs/dbraw/zinc/03/89/18/446038918.db2.gz HLOZLZROFUDVKN-ZDUSSCGKSA-N 2 2 333.480 1.606 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(C(C)(C)C)n[nH]3)C2)CC1 ZINC000369273552 446038923 /nfs/dbraw/zinc/03/89/23/446038923.db2.gz HLOZLZROFUDVKN-ZDUSSCGKSA-N 2 2 333.480 1.606 20 0 EDADLP C[C@H](C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000359213935 446043038 /nfs/dbraw/zinc/04/30/38/446043038.db2.gz LPAYVNZHMJPHHN-BEFAXECRSA-N 2 2 345.466 1.874 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208031 446001906 /nfs/dbraw/zinc/00/19/06/446001906.db2.gz NMLHBOTXBGPWPD-AEFFLSMTSA-N 3 2 338.540 1.780 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208031 446001910 /nfs/dbraw/zinc/00/19/10/446001910.db2.gz NMLHBOTXBGPWPD-AEFFLSMTSA-N 3 2 338.540 1.780 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208031 446001912 /nfs/dbraw/zinc/00/19/12/446001912.db2.gz NMLHBOTXBGPWPD-AEFFLSMTSA-N 3 2 338.540 1.780 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208031 446001917 /nfs/dbraw/zinc/00/19/17/446001917.db2.gz NMLHBOTXBGPWPD-AEFFLSMTSA-N 3 2 338.540 1.780 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366091195 446007193 /nfs/dbraw/zinc/00/71/93/446007193.db2.gz LLEHZWQEUNYKDW-UKRRQHHQSA-N 2 2 349.479 1.001 20 0 EDADLP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366091195 446007197 /nfs/dbraw/zinc/00/71/97/446007197.db2.gz LLEHZWQEUNYKDW-UKRRQHHQSA-N 2 2 349.479 1.001 20 0 EDADLP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000583133145 326008829 /nfs/dbraw/zinc/00/88/29/326008829.db2.gz WTWPTXLTMSFRKY-JKSUJKDBSA-N 2 2 327.432 1.903 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCN2CCc3ccccc32)C[C@H](C)O1 ZINC000583138895 326010275 /nfs/dbraw/zinc/01/02/75/326010275.db2.gz NUHGKTSGNFHBFH-SCTDSRPQSA-N 2 2 347.503 1.499 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCN2CCc3ccccc32)C[C@H](C)O1 ZINC000583138895 326010277 /nfs/dbraw/zinc/01/02/77/326010277.db2.gz NUHGKTSGNFHBFH-SCTDSRPQSA-N 2 2 347.503 1.499 20 0 EDADLP O=C(C[N@@H+]1CCCO[C@H]2CCC[C@@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000365143409 446050120 /nfs/dbraw/zinc/05/01/20/446050120.db2.gz AEFXUVQPRAHCFO-ROUUACIJSA-N 2 2 347.459 1.567 20 0 EDADLP O=C(C[N@H+]1CCCO[C@H]2CCC[C@@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000365143409 446050124 /nfs/dbraw/zinc/05/01/24/446050124.db2.gz AEFXUVQPRAHCFO-ROUUACIJSA-N 2 2 347.459 1.567 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2(C)Cc3ccccc3C2)C[C@H](C)O1 ZINC000583626597 326105827 /nfs/dbraw/zinc/10/58/27/326105827.db2.gz XWMBCPQVPGESFM-FCEWJHQRSA-N 2 2 332.488 1.851 20 0 EDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2(C)Cc3ccccc3C2)C[C@H](C)O1 ZINC000583626597 326105830 /nfs/dbraw/zinc/10/58/30/326105830.db2.gz XWMBCPQVPGESFM-FCEWJHQRSA-N 2 2 332.488 1.851 20 0 EDADLP Cc1ccc2[nH+]c(CNC(=O)c3ccn(CC[NH+](C)C)n3)cn2c1 ZINC000583639788 326111141 /nfs/dbraw/zinc/11/11/41/326111141.db2.gz RGLOTXQSPDUBPK-UHFFFAOYSA-N 2 2 326.404 1.331 20 0 EDADLP C[C@H]1CC[N@H+](CCNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000583674450 326114484 /nfs/dbraw/zinc/11/44/84/326114484.db2.gz XIASDOMSPCWVTA-INIZCTEOSA-N 2 2 326.444 1.932 20 0 EDADLP C[C@H]1CC[N@@H+](CCNC(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000583674450 326114485 /nfs/dbraw/zinc/11/44/85/326114485.db2.gz XIASDOMSPCWVTA-INIZCTEOSA-N 2 2 326.444 1.932 20 0 EDADLP Brc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCCO1)OCO2 ZINC000583681187 326116499 /nfs/dbraw/zinc/11/64/99/326116499.db2.gz JUSNHVGNGIRHPA-LLVKDONJSA-N 2 2 343.221 1.646 20 0 EDADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1ccn([C@@H]3CCC[NH2+]C3)n1)CCC2 ZINC000365162948 446063320 /nfs/dbraw/zinc/06/33/20/446063320.db2.gz SFHFEPLJLKCBAH-HUUCEWRRSA-N 2 2 342.447 1.620 20 0 EDADLP COc1ccnc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000584108275 326200667 /nfs/dbraw/zinc/20/06/67/326200667.db2.gz VSVNIYKCAMMCSL-KDOFPFPSSA-N 2 2 326.400 1.831 20 0 EDADLP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351474618 446075631 /nfs/dbraw/zinc/07/56/31/446075631.db2.gz GKRCAXKWDVJUNY-VIRABCJISA-N 2 2 333.432 1.700 20 0 EDADLP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351474618 446075640 /nfs/dbraw/zinc/07/56/40/446075640.db2.gz GKRCAXKWDVJUNY-VIRABCJISA-N 2 2 333.432 1.700 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccco1 ZINC000366198309 446078685 /nfs/dbraw/zinc/07/86/85/446078685.db2.gz XKXMQDKZCWUTSM-CABCVRRESA-N 2 2 336.436 1.045 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccco1 ZINC000366198309 446078692 /nfs/dbraw/zinc/07/86/92/446078692.db2.gz XKXMQDKZCWUTSM-CABCVRRESA-N 2 2 336.436 1.045 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359309187 446139578 /nfs/dbraw/zinc/13/95/78/446139578.db2.gz POKANPQNKMNWFE-CALCHBBNSA-N 2 2 331.460 1.456 20 0 EDADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359309187 446139585 /nfs/dbraw/zinc/13/95/85/446139585.db2.gz POKANPQNKMNWFE-CALCHBBNSA-N 2 2 331.460 1.456 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359282775 446118061 /nfs/dbraw/zinc/11/80/61/446118061.db2.gz JIXWOKOPANOHAC-CALCHBBNSA-N 2 2 331.460 1.284 20 0 EDADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359282775 446118070 /nfs/dbraw/zinc/11/80/70/446118070.db2.gz JIXWOKOPANOHAC-CALCHBBNSA-N 2 2 331.460 1.284 20 0 EDADLP C[C@]1([NH2+]CC(=O)N2CC[NH+](Cc3ccco3)CC2)CCO[C@H]1C1CC1 ZINC000373279667 446141155 /nfs/dbraw/zinc/14/11/55/446141155.db2.gz GWKSINDBAMWTSR-OALUTQOASA-N 2 2 347.459 1.471 20 0 EDADLP CCC[N@H+](C)CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000359286846 446122323 /nfs/dbraw/zinc/12/23/23/446122323.db2.gz KNEXKVNAVGRSHC-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP CCC[N@@H+](C)CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000359286846 446122325 /nfs/dbraw/zinc/12/23/25/446122325.db2.gz KNEXKVNAVGRSHC-UHFFFAOYSA-N 2 2 349.475 1.356 20 0 EDADLP C[N@@H+]1CC[C@H](CNC(=O)NCCn2cc[nH+]c2)[C@H]1c1cccs1 ZINC000365282390 446124753 /nfs/dbraw/zinc/12/47/53/446124753.db2.gz KXPLEDBSNRPVFX-HIFRSBDPSA-N 2 2 333.461 1.937 20 0 EDADLP C[N@H+]1CC[C@H](CNC(=O)NCCn2cc[nH+]c2)[C@H]1c1cccs1 ZINC000365282390 446124759 /nfs/dbraw/zinc/12/47/59/446124759.db2.gz KXPLEDBSNRPVFX-HIFRSBDPSA-N 2 2 333.461 1.937 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000359295553 446128984 /nfs/dbraw/zinc/12/89/84/446128984.db2.gz XBMPPKDMCXCLEJ-NXHRZFHOSA-N 2 2 331.460 1.422 20 0 EDADLP C[C@@H](OCCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000359295553 446128988 /nfs/dbraw/zinc/12/89/88/446128988.db2.gz XBMPPKDMCXCLEJ-NXHRZFHOSA-N 2 2 331.460 1.422 20 0 EDADLP CCC(CC)[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH+]1CCOCC1 ZINC000354398852 446176176 /nfs/dbraw/zinc/17/61/76/446176176.db2.gz WBYKGTKCPFIISW-KRWDZBQOSA-N 2 2 336.480 1.606 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000373375708 446188064 /nfs/dbraw/zinc/18/80/64/446188064.db2.gz GDQFGPQHYNZYER-HOTGVXAUSA-N 2 2 344.463 1.243 20 0 EDADLP Cc1nc(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000373375708 446188069 /nfs/dbraw/zinc/18/80/69/446188069.db2.gz GDQFGPQHYNZYER-HOTGVXAUSA-N 2 2 344.463 1.243 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H]4CCCC[C@H]4C3)C2)CC1 ZINC000370185062 446189442 /nfs/dbraw/zinc/18/94/42/446189442.db2.gz ORCWZVFPLGHYHN-ULQDDVLXSA-N 2 2 334.508 1.987 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H]4CCCC[C@H]4C3)C2)CC1 ZINC000370185062 446189448 /nfs/dbraw/zinc/18/94/48/446189448.db2.gz ORCWZVFPLGHYHN-ULQDDVLXSA-N 2 2 334.508 1.987 20 0 EDADLP CCN1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000354362924 446146170 /nfs/dbraw/zinc/14/61/70/446146170.db2.gz PMKJOVYOQKUCBA-OWCLPIDISA-N 2 2 348.495 1.671 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000373511119 446243690 /nfs/dbraw/zinc/24/36/90/446243690.db2.gz WOUUXMCIFWUBES-IRXDYDNUSA-N 2 2 332.448 1.690 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000373511119 446243695 /nfs/dbraw/zinc/24/36/95/446243695.db2.gz WOUUXMCIFWUBES-IRXDYDNUSA-N 2 2 332.448 1.690 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC[N@@H+]([C@H](C)CO)CC3)cc2n1C ZINC000366412015 446199106 /nfs/dbraw/zinc/19/91/06/446199106.db2.gz GNXWBRVFAWNUPD-CYBMUJFWSA-N 2 2 330.432 1.410 20 0 EDADLP Cc1[nH+]c2ccc(C(=O)N3CCC[N@H+]([C@H](C)CO)CC3)cc2n1C ZINC000366412015 446199111 /nfs/dbraw/zinc/19/91/11/446199111.db2.gz GNXWBRVFAWNUPD-CYBMUJFWSA-N 2 2 330.432 1.410 20 0 EDADLP CC[C@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CCOC ZINC000366444874 446218068 /nfs/dbraw/zinc/21/80/68/446218068.db2.gz WUDOMXZOYOZTGA-HOTGVXAUSA-N 2 2 349.479 1.513 20 0 EDADLP CC[C@H]1CN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC[N@H+]1CCOC ZINC000366444874 446218070 /nfs/dbraw/zinc/21/80/70/446218070.db2.gz WUDOMXZOYOZTGA-HOTGVXAUSA-N 2 2 349.479 1.513 20 0 EDADLP Cc1cccc(NC2CCN(c3nc4c(cnn4C)c(N)[nH+]3)CC2)[nH+]1 ZINC000365466342 446221568 /nfs/dbraw/zinc/22/15/68/446221568.db2.gz YNQXHHWWIQEKME-UHFFFAOYSA-N 2 2 338.419 1.730 20 0 EDADLP CO[C@](C)(CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000362150106 446237511 /nfs/dbraw/zinc/23/75/11/446237511.db2.gz FRLDYYBCNAJZTP-GOSISDBHSA-N 2 2 340.512 1.469 20 0 EDADLP CO[C@](C)(CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000362150106 446237513 /nfs/dbraw/zinc/23/75/13/446237513.db2.gz FRLDYYBCNAJZTP-GOSISDBHSA-N 2 2 340.512 1.469 20 0 EDADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC)C[C@H]1C ZINC000362172391 446246026 /nfs/dbraw/zinc/24/60/26/446246026.db2.gz BVYZNUHKPWVYNQ-OWCLPIDISA-N 2 2 341.496 1.495 20 0 EDADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC)C[C@H]1C ZINC000362172391 446246031 /nfs/dbraw/zinc/24/60/31/446246031.db2.gz BVYZNUHKPWVYNQ-OWCLPIDISA-N 2 2 341.496 1.495 20 0 EDADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC)C[C@H]1C ZINC000362172391 446246035 /nfs/dbraw/zinc/24/60/35/446246035.db2.gz BVYZNUHKPWVYNQ-OWCLPIDISA-N 2 2 341.496 1.495 20 0 EDADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](CC(C)C)C(=O)OC)C[C@H]1C ZINC000362172391 446246039 /nfs/dbraw/zinc/24/60/39/446246039.db2.gz BVYZNUHKPWVYNQ-OWCLPIDISA-N 2 2 341.496 1.495 20 0 EDADLP CCC[NH+]1CCC(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)CC1 ZINC000373536690 446252572 /nfs/dbraw/zinc/25/25/72/446252572.db2.gz OTFJLHUDJYYGHK-UHFFFAOYSA-N 2 2 347.507 1.371 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1C ZINC000359505882 446265030 /nfs/dbraw/zinc/26/50/30/446265030.db2.gz LGWNKECFHAMOMS-CVEARBPZSA-N 2 2 342.443 1.459 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1C ZINC000359505882 446265038 /nfs/dbraw/zinc/26/50/38/446265038.db2.gz LGWNKECFHAMOMS-CVEARBPZSA-N 2 2 342.443 1.459 20 0 EDADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000362232899 446277244 /nfs/dbraw/zinc/27/72/44/446277244.db2.gz DIJPGUIGDAKIGK-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000362232899 446277248 /nfs/dbraw/zinc/27/72/48/446277248.db2.gz DIJPGUIGDAKIGK-GOSISDBHSA-N 2 2 331.460 1.619 20 0 EDADLP Cc1[nH+]c(CNc2cc[nH+]c(N3CCOCC3)n2)c2n1CCCC2 ZINC000366690744 446311615 /nfs/dbraw/zinc/31/16/15/446311615.db2.gz QISMMJNQSVSMRJ-UHFFFAOYSA-N 2 2 328.420 1.767 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000362356835 446333198 /nfs/dbraw/zinc/33/31/98/446333198.db2.gz BQRUZHGOXZCTMB-MRXNPFEDSA-N 2 2 349.479 1.036 20 0 EDADLP CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000362356835 446333201 /nfs/dbraw/zinc/33/32/01/446333201.db2.gz BQRUZHGOXZCTMB-MRXNPFEDSA-N 2 2 349.479 1.036 20 0 EDADLP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000370619927 446360255 /nfs/dbraw/zinc/36/02/55/446360255.db2.gz IBBJILPPBBHRPP-WBVHZDCISA-N 3 2 348.539 1.443 20 0 EDADLP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000370619927 446360260 /nfs/dbraw/zinc/36/02/60/446360260.db2.gz IBBJILPPBBHRPP-WBVHZDCISA-N 3 2 348.539 1.443 20 0 EDADLP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000370619927 446360263 /nfs/dbraw/zinc/36/02/63/446360263.db2.gz IBBJILPPBBHRPP-WBVHZDCISA-N 3 2 348.539 1.443 20 0 EDADLP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000370619927 446360268 /nfs/dbraw/zinc/36/02/68/446360268.db2.gz IBBJILPPBBHRPP-WBVHZDCISA-N 3 2 348.539 1.443 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000417653926 446368431 /nfs/dbraw/zinc/36/84/31/446368431.db2.gz BTBHCJLDOHGEFW-RISCZKNCSA-N 2 2 326.391 1.619 20 0 EDADLP CN(C(=O)C[C@@H](O)CC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365894705 446392410 /nfs/dbraw/zinc/39/24/10/446392410.db2.gz KBUJDNOYSFIPND-DLBZAZTESA-N 2 2 339.524 1.801 20 0 EDADLP CN(C(=O)C[C@@H](O)CC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365894705 446392412 /nfs/dbraw/zinc/39/24/12/446392412.db2.gz KBUJDNOYSFIPND-DLBZAZTESA-N 2 2 339.524 1.801 20 0 EDADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000370703771 446394016 /nfs/dbraw/zinc/39/40/16/446394016.db2.gz ULSVOOOMQJZPCS-RDJZCZTQSA-N 2 2 349.475 1.914 20 0 EDADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000370703771 446394017 /nfs/dbraw/zinc/39/40/17/446394017.db2.gz ULSVOOOMQJZPCS-RDJZCZTQSA-N 2 2 349.475 1.914 20 0 EDADLP CCn1nncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000417951282 446397449 /nfs/dbraw/zinc/39/74/49/446397449.db2.gz YPVQDCJTZYABIC-AEFFLSMTSA-N 2 2 329.448 1.271 20 0 EDADLP CCn1nncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000417951282 446397451 /nfs/dbraw/zinc/39/74/51/446397451.db2.gz YPVQDCJTZYABIC-AEFFLSMTSA-N 2 2 329.448 1.271 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000370779329 446436964 /nfs/dbraw/zinc/43/69/64/446436964.db2.gz LNWKJDVSSHXLEQ-OAHLLOKOSA-N 2 2 337.489 1.021 20 0 EDADLP CC[C@H](CO)[NH+]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000370779329 446436967 /nfs/dbraw/zinc/43/69/67/446436967.db2.gz LNWKJDVSSHXLEQ-OAHLLOKOSA-N 2 2 337.489 1.021 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000374911177 446452983 /nfs/dbraw/zinc/45/29/83/446452983.db2.gz IQOBERCSGYNXEX-CABCVRRESA-N 2 2 340.493 1.364 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000374911177 446452989 /nfs/dbraw/zinc/45/29/89/446452989.db2.gz IQOBERCSGYNXEX-CABCVRRESA-N 2 2 340.493 1.364 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420282105 446450022 /nfs/dbraw/zinc/45/00/22/446450022.db2.gz APQIENXFYWNNAL-HUUCEWRRSA-N 2 2 327.469 1.236 20 0 EDADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420282105 446450026 /nfs/dbraw/zinc/45/00/26/446450026.db2.gz APQIENXFYWNNAL-HUUCEWRRSA-N 2 2 327.469 1.236 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432089892 446450226 /nfs/dbraw/zinc/45/02/26/446450226.db2.gz PXHQUSCENBKRBQ-GJZGRUSLSA-N 2 2 334.464 1.550 20 0 EDADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000432089892 446450230 /nfs/dbraw/zinc/45/02/30/446450230.db2.gz PXHQUSCENBKRBQ-GJZGRUSLSA-N 2 2 334.464 1.550 20 0 EDADLP CCN(CC)C(=O)N1CC[NH+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420296428 446459671 /nfs/dbraw/zinc/45/96/71/446459671.db2.gz BXIRPGDSUFFYBM-QGZVFWFLSA-N 2 2 348.491 1.817 20 0 EDADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000420296327 446459789 /nfs/dbraw/zinc/45/97/89/446459789.db2.gz BKEVIFXAZQBUPG-OAHLLOKOSA-N 2 2 327.450 1.826 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000370821264 446460710 /nfs/dbraw/zinc/46/07/10/446460710.db2.gz TUCOUGUFXMTBSD-OAHLLOKOSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(=O)[nH]1 ZINC000370821264 446460715 /nfs/dbraw/zinc/46/07/15/446460715.db2.gz TUCOUGUFXMTBSD-OAHLLOKOSA-N 2 2 332.448 1.336 20 0 EDADLP Cc1cc(N2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)nc(C(C)C)[nH+]1 ZINC000423306997 446481278 /nfs/dbraw/zinc/48/12/78/446481278.db2.gz GALYPLBEXUYPEW-INIZCTEOSA-N 2 2 331.464 1.684 20 0 EDADLP CN(C(=O)[C@H]1Cc2ccccc2O1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829006 446463466 /nfs/dbraw/zinc/46/34/66/446463466.db2.gz CXSWAQOGSFGAQS-IEBWSBKVSA-N 2 2 343.471 1.617 20 0 EDADLP CN(C(=O)[C@H]1Cc2ccccc2O1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829006 446463472 /nfs/dbraw/zinc/46/34/72/446463472.db2.gz CXSWAQOGSFGAQS-IEBWSBKVSA-N 2 2 343.471 1.617 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000420303206 446465489 /nfs/dbraw/zinc/46/54/89/446465489.db2.gz HLMIMNYERIATLA-NUEKZKHPSA-N 2 2 331.416 1.471 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000420303206 446465492 /nfs/dbraw/zinc/46/54/92/446465492.db2.gz HLMIMNYERIATLA-NUEKZKHPSA-N 2 2 331.416 1.471 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000418237853 446468507 /nfs/dbraw/zinc/46/85/07/446468507.db2.gz NLUHULZOQOYLEE-OAHLLOKOSA-N 2 2 327.432 1.828 20 0 EDADLP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000418237853 446468512 /nfs/dbraw/zinc/46/85/12/446468512.db2.gz NLUHULZOQOYLEE-OAHLLOKOSA-N 2 2 327.432 1.828 20 0 EDADLP CN(C(=O)CCc1ccccc1O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839176 446473628 /nfs/dbraw/zinc/47/36/28/446473628.db2.gz PATFWULHYDANME-SFHVURJKSA-N 2 2 345.487 1.952 20 0 EDADLP CN(C(=O)CCc1ccccc1O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839176 446473631 /nfs/dbraw/zinc/47/36/31/446473631.db2.gz PATFWULHYDANME-SFHVURJKSA-N 2 2 345.487 1.952 20 0 EDADLP C[C@@H]1C[N@H+](CCN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000420318440 446483892 /nfs/dbraw/zinc/48/38/92/446483892.db2.gz WDHFYVVETKEXJF-IAGOWNOFSA-N 2 2 347.507 1.085 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000420318440 446483896 /nfs/dbraw/zinc/48/38/96/446483896.db2.gz WDHFYVVETKEXJF-IAGOWNOFSA-N 2 2 347.507 1.085 20 0 EDADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(-n2cncn2)cc1Cl ZINC000423520045 446561230 /nfs/dbraw/zinc/56/12/30/446561230.db2.gz PNPVPCQWIOZNKC-OCCSQVGLSA-N 2 2 334.855 1.475 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350250 446528167 /nfs/dbraw/zinc/52/81/67/446528167.db2.gz GDLYDIAPYWRPKI-PMUMKWKESA-N 2 2 329.444 1.657 20 0 EDADLP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350250 446528178 /nfs/dbraw/zinc/52/81/78/446528178.db2.gz GDLYDIAPYWRPKI-PMUMKWKESA-N 2 2 329.444 1.657 20 0 EDADLP COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420353184 446531786 /nfs/dbraw/zinc/53/17/86/446531786.db2.gz BMDQKFGTFPNZNA-HNNXBMFYSA-N 2 2 333.432 1.698 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000420354451 446533430 /nfs/dbraw/zinc/53/34/30/446533430.db2.gz DBXXOAVXELAYML-INIZCTEOSA-N 2 2 345.491 1.988 20 0 EDADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423439820 446537562 /nfs/dbraw/zinc/53/75/62/446537562.db2.gz IFKCSUMKJQIJFK-ROUUACIJSA-N 2 2 335.492 1.620 20 0 EDADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423439820 446537573 /nfs/dbraw/zinc/53/75/73/446537573.db2.gz IFKCSUMKJQIJFK-ROUUACIJSA-N 2 2 335.492 1.620 20 0 EDADLP Cc1cnn(C)c1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000367378881 446539389 /nfs/dbraw/zinc/53/93/89/446539389.db2.gz VSGHRONWFMNZBA-GJZGRUSLSA-N 2 2 334.443 1.506 20 0 EDADLP Cc1cnn(C)c1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000367378881 446539396 /nfs/dbraw/zinc/53/93/96/446539396.db2.gz VSGHRONWFMNZBA-GJZGRUSLSA-N 2 2 334.443 1.506 20 0 EDADLP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420358933 446539828 /nfs/dbraw/zinc/53/98/28/446539828.db2.gz FHWNIJKFSZXXKM-LJQANCHMSA-N 2 2 331.460 1.525 20 0 EDADLP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420358933 446539835 /nfs/dbraw/zinc/53/98/35/446539835.db2.gz FHWNIJKFSZXXKM-LJQANCHMSA-N 2 2 331.460 1.525 20 0 EDADLP COc1ccc(CN(C)C(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000420358684 446540235 /nfs/dbraw/zinc/54/02/35/446540235.db2.gz FTLBKWCFDICJRX-IQUTYRLHSA-N 2 2 349.475 1.638 20 0 EDADLP OCC[NH+]1CCC(C[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC1 ZINC000453103812 446545008 /nfs/dbraw/zinc/54/50/08/446545008.db2.gz SHKHTRIRJIEHPS-KRWDZBQOSA-N 2 2 333.411 1.327 20 0 EDADLP OCC[NH+]1CCC(C[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000453103812 446545012 /nfs/dbraw/zinc/54/50/12/446545012.db2.gz SHKHTRIRJIEHPS-KRWDZBQOSA-N 2 2 333.411 1.327 20 0 EDADLP OCC[NH+]1CCC(C[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000453103812 446545015 /nfs/dbraw/zinc/54/50/15/446545015.db2.gz SHKHTRIRJIEHPS-KRWDZBQOSA-N 2 2 333.411 1.327 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)[C@H]2C1 ZINC000420366978 446545717 /nfs/dbraw/zinc/54/57/17/446545717.db2.gz GJGYHYQZXDKPJL-BCYZHJNNSA-N 2 2 334.460 1.186 20 0 EDADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)[C@H]2C1 ZINC000420366978 446545726 /nfs/dbraw/zinc/54/57/26/446545726.db2.gz GJGYHYQZXDKPJL-BCYZHJNNSA-N 2 2 334.460 1.186 20 0 EDADLP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420382123 446556739 /nfs/dbraw/zinc/55/67/39/446556739.db2.gz YHZKLLUPFVSWLD-ATIWLJMLSA-N 2 2 332.444 1.191 20 0 EDADLP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420382123 446556745 /nfs/dbraw/zinc/55/67/45/446556745.db2.gz YHZKLLUPFVSWLD-ATIWLJMLSA-N 2 2 332.444 1.191 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)c2c(F)cccc2F)CC1 ZINC000411504683 446575799 /nfs/dbraw/zinc/57/57/99/446575799.db2.gz LVPWUXKESWCBEJ-HNNXBMFYSA-N 2 2 341.402 1.188 20 0 EDADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423579402 446585830 /nfs/dbraw/zinc/58/58/30/446585830.db2.gz WCSKCDWYHRAVPT-RTBURBONSA-N 2 2 327.428 1.952 20 0 EDADLP CCc1nc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)cc(C)[nH+]1 ZINC000367807684 446592763 /nfs/dbraw/zinc/59/27/63/446592763.db2.gz ZXTJVWYVSJIEKK-GJZGRUSLSA-N 2 2 332.427 2.105 20 0 EDADLP CCc1nc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)cc(C)[nH+]1 ZINC000367807684 446592773 /nfs/dbraw/zinc/59/27/73/446592773.db2.gz ZXTJVWYVSJIEKK-GJZGRUSLSA-N 2 2 332.427 2.105 20 0 EDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000375119884 446593071 /nfs/dbraw/zinc/59/30/71/446593071.db2.gz RVPFQDTWRIGBGC-MRXNPFEDSA-N 2 2 349.479 1.375 20 0 EDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000375119884 446593073 /nfs/dbraw/zinc/59/30/73/446593073.db2.gz RVPFQDTWRIGBGC-MRXNPFEDSA-N 2 2 349.479 1.375 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)C2 ZINC000368110964 446647253 /nfs/dbraw/zinc/64/72/53/446647253.db2.gz FKXUQTYBOAWAET-HNNXBMFYSA-N 2 2 334.464 1.323 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)C2 ZINC000368110964 446647263 /nfs/dbraw/zinc/64/72/63/446647263.db2.gz FKXUQTYBOAWAET-HNNXBMFYSA-N 2 2 334.464 1.323 20 0 EDADLP CCn1cc[nH+]c1CN(C(=O)[C@@H](C)COC)[C@@H]1CC12CC[NH2+]CC2 ZINC000376681757 446647362 /nfs/dbraw/zinc/64/73/62/446647362.db2.gz RYUSILDRURSQGB-LSDHHAIUSA-N 2 2 334.464 1.656 20 0 EDADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)C2)C1 ZINC000418734047 446659387 /nfs/dbraw/zinc/65/93/87/446659387.db2.gz SGSVNYPZWIVSOJ-ZFWWWQNUSA-N 2 2 330.423 1.359 20 0 EDADLP C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H]3CC[NH2+]CC3(F)F)C2)C1 ZINC000418734047 446659391 /nfs/dbraw/zinc/65/93/91/446659391.db2.gz SGSVNYPZWIVSOJ-ZFWWWQNUSA-N 2 2 330.423 1.359 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000368224777 446721272 /nfs/dbraw/zinc/72/12/72/446721272.db2.gz FNAMQMWUTCTOEC-WMLDXEAASA-N 2 2 329.460 1.378 20 0 EDADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000368224777 446721275 /nfs/dbraw/zinc/72/12/75/446721275.db2.gz FNAMQMWUTCTOEC-WMLDXEAASA-N 2 2 329.460 1.378 20 0 EDADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)C1([NH+]2CCOCC2)CCC1 ZINC000376815332 446734919 /nfs/dbraw/zinc/73/49/19/446734919.db2.gz HTZNPYITEKAJDR-UHFFFAOYSA-N 2 2 343.471 1.416 20 0 EDADLP O=C(NCC[N@H+]1CCc2ccccc2C1)C1([NH+]2CCOCC2)CCC1 ZINC000376815332 446734925 /nfs/dbraw/zinc/73/49/25/446734925.db2.gz HTZNPYITEKAJDR-UHFFFAOYSA-N 2 2 343.471 1.416 20 0 EDADLP CC[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000368270633 446750856 /nfs/dbraw/zinc/75/08/56/446750856.db2.gz ZNJZTDUCQLZQGR-ZCNNSNEGSA-N 2 2 329.488 1.881 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCC1CCCCC1 ZINC000371299685 446756310 /nfs/dbraw/zinc/75/63/10/446756310.db2.gz JIFKAGKWNSDWFF-KZNAEPCWSA-N 2 2 337.508 1.866 20 0 EDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCC1CCCCC1 ZINC000371299685 446756318 /nfs/dbraw/zinc/75/63/18/446756318.db2.gz JIFKAGKWNSDWFF-KZNAEPCWSA-N 2 2 337.508 1.866 20 0 EDADLP O=C(C[C@@H]1COCC[NH2+]1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000423906774 446757928 /nfs/dbraw/zinc/75/79/28/446757928.db2.gz AMXUUTIUMUDKDA-CQSZACIVSA-N 2 2 337.851 1.193 20 0 EDADLP O=C(C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000423906774 446757933 /nfs/dbraw/zinc/75/79/33/446757933.db2.gz AMXUUTIUMUDKDA-CQSZACIVSA-N 2 2 337.851 1.193 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1c(C)noc1C ZINC000423912245 446761380 /nfs/dbraw/zinc/76/13/80/446761380.db2.gz IILYABPHNOKPGZ-SNPRPXQTSA-N 2 2 340.443 1.708 20 0 EDADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1c(C)noc1C ZINC000423912245 446761389 /nfs/dbraw/zinc/76/13/89/446761389.db2.gz IILYABPHNOKPGZ-SNPRPXQTSA-N 2 2 340.443 1.708 20 0 EDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000376918891 446797970 /nfs/dbraw/zinc/79/79/70/446797970.db2.gz XJPAFFPNYWSDBK-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000376918891 446797978 /nfs/dbraw/zinc/79/79/78/446797978.db2.gz XJPAFFPNYWSDBK-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000376918891 446797981 /nfs/dbraw/zinc/79/79/81/446797981.db2.gz XJPAFFPNYWSDBK-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)[C@@H](C)C1 ZINC000376918891 446797988 /nfs/dbraw/zinc/79/79/88/446797988.db2.gz XJPAFFPNYWSDBK-MPGHIAIKSA-N 2 2 346.475 1.270 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000454221743 446811892 /nfs/dbraw/zinc/81/18/92/446811892.db2.gz BZJFKOSZIDPEKI-OAHLLOKOSA-N 2 2 337.468 1.449 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000376929538 446803951 /nfs/dbraw/zinc/80/39/51/446803951.db2.gz DQFAIYSYPRREDA-MRXNPFEDSA-N 2 2 348.495 1.038 20 0 EDADLP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n(C)n1 ZINC000376929538 446803958 /nfs/dbraw/zinc/80/39/58/446803958.db2.gz DQFAIYSYPRREDA-MRXNPFEDSA-N 2 2 348.495 1.038 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000368349487 446804030 /nfs/dbraw/zinc/80/40/30/446804030.db2.gz RSYVPQCKEUICMC-LSDHHAIUSA-N 2 2 334.420 1.143 20 0 EDADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000368349487 446804034 /nfs/dbraw/zinc/80/40/34/446804034.db2.gz RSYVPQCKEUICMC-LSDHHAIUSA-N 2 2 334.420 1.143 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419005971 446860607 /nfs/dbraw/zinc/86/06/07/446860607.db2.gz PRSOQYDSKRGVJP-CVEARBPZSA-N 2 2 346.475 1.228 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419005971 446860613 /nfs/dbraw/zinc/86/06/13/446860613.db2.gz PRSOQYDSKRGVJP-CVEARBPZSA-N 2 2 346.475 1.228 20 0 EDADLP CC[N@H+](CCCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccccc1 ZINC000419005973 446860891 /nfs/dbraw/zinc/86/08/91/446860891.db2.gz PRSOQYDSKRGVJP-HZPDHXFCSA-N 2 2 346.475 1.228 20 0 EDADLP CC[N@@H+](CCCNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccccc1 ZINC000419005973 446860893 /nfs/dbraw/zinc/86/08/93/446860893.db2.gz PRSOQYDSKRGVJP-HZPDHXFCSA-N 2 2 346.475 1.228 20 0 EDADLP Cn1c(Cl)cnc1CN1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000371471487 446876994 /nfs/dbraw/zinc/87/69/94/446876994.db2.gz UUKPUWLBAALDOS-UHFFFAOYSA-N 2 2 336.871 1.868 20 0 EDADLP Cn1c(Cl)cnc1CN1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000371471487 446877006 /nfs/dbraw/zinc/87/70/06/446877006.db2.gz UUKPUWLBAALDOS-UHFFFAOYSA-N 2 2 336.871 1.868 20 0 EDADLP CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420916634 446887861 /nfs/dbraw/zinc/88/78/61/446887861.db2.gz HYINDQYGVJVNOT-RTBURBONSA-N 2 2 334.460 1.802 20 0 EDADLP CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420958937 446931166 /nfs/dbraw/zinc/93/11/66/446931166.db2.gz DWIASKCHWLROOP-GOSISDBHSA-N 2 2 331.460 1.429 20 0 EDADLP CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420958937 446931171 /nfs/dbraw/zinc/93/11/71/446931171.db2.gz DWIASKCHWLROOP-GOSISDBHSA-N 2 2 331.460 1.429 20 0 EDADLP C[N@@H+]1CCN(C2CC[NH+](CCC(=O)c3ccccc3)CC2)C(=O)C1 ZINC000371644804 446942933 /nfs/dbraw/zinc/94/29/33/446942933.db2.gz CNVXMHQHPGBPPL-UHFFFAOYSA-N 2 2 329.444 1.498 20 0 EDADLP C[N@H+]1CCN(C2CC[NH+](CCC(=O)c3ccccc3)CC2)C(=O)C1 ZINC000371644804 446942941 /nfs/dbraw/zinc/94/29/41/446942941.db2.gz CNVXMHQHPGBPPL-UHFFFAOYSA-N 2 2 329.444 1.498 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000377194331 446984334 /nfs/dbraw/zinc/98/43/34/446984334.db2.gz AELSRYCWRZNWRN-WDYCEAGBSA-N 3 2 344.503 1.607 20 0 EDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000377194331 446984338 /nfs/dbraw/zinc/98/43/38/446984338.db2.gz AELSRYCWRZNWRN-WDYCEAGBSA-N 3 2 344.503 1.607 20 0 EDADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372083449 446991764 /nfs/dbraw/zinc/99/17/64/446991764.db2.gz KSFHPZZIVYMGGG-YHWZYXNKSA-N 2 2 342.374 1.765 20 0 EDADLP CC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000413184463 447055242 /nfs/dbraw/zinc/05/52/42/447055242.db2.gz OCMSUUIWFNXNLO-AWEZNQCLSA-N 2 2 331.395 1.905 20 0 EDADLP CC[N@H+]1CC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000413184463 447055245 /nfs/dbraw/zinc/05/52/45/447055245.db2.gz OCMSUUIWFNXNLO-AWEZNQCLSA-N 2 2 331.395 1.905 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000419297171 447064886 /nfs/dbraw/zinc/06/48/86/447064886.db2.gz FXAHBADKZFWQBV-MRXNPFEDSA-N 2 2 337.414 1.746 20 0 EDADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000419297171 447064888 /nfs/dbraw/zinc/06/48/88/447064888.db2.gz FXAHBADKZFWQBV-MRXNPFEDSA-N 2 2 337.414 1.746 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2nnc3n2CCCCC3)CC1 ZINC000372511657 447099324 /nfs/dbraw/zinc/09/93/24/447099324.db2.gz HXBGSEAJDAHECJ-UHFFFAOYSA-N 2 2 349.479 1.512 20 0 EDADLP COC(=O)[C@H](CC[NH+]1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000425394321 447142779 /nfs/dbraw/zinc/14/27/79/447142779.db2.gz KOEDNPXJOGKWMH-GOSISDBHSA-N 2 2 334.460 1.722 20 0 EDADLP COC(=O)[C@H](CC[NH+]1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000425394321 447142785 /nfs/dbraw/zinc/14/27/85/447142785.db2.gz KOEDNPXJOGKWMH-GOSISDBHSA-N 2 2 334.460 1.722 20 0 EDADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000375933264 447158721 /nfs/dbraw/zinc/15/87/21/447158721.db2.gz OLJYDUMNZPTNBL-UHFFFAOYSA-N 2 2 349.479 1.472 20 0 EDADLP O=C(NCCn1cc[nH+]c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377585943 447225731 /nfs/dbraw/zinc/22/57/31/447225731.db2.gz XLLRCQQCPUVAIV-UHFFFAOYSA-N 2 2 335.452 1.027 20 0 EDADLP Cc1[nH+]c(CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)c2n1CCCC2 ZINC000376056866 447241389 /nfs/dbraw/zinc/24/13/89/447241389.db2.gz PAMPDGDBNYZJTC-CQSZACIVSA-N 2 2 342.447 1.786 20 0 EDADLP C[NH+]1CCC(CCNC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000368980580 447243498 /nfs/dbraw/zinc/24/34/98/447243498.db2.gz ISSFXKRWIDYZGO-UHFFFAOYSA-N 2 2 342.447 1.798 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCCc2[nH+]ccn21 ZINC000377674652 447288179 /nfs/dbraw/zinc/28/81/79/447288179.db2.gz NXHPSFDOAPUSRP-OAHLLOKOSA-N 2 2 341.415 1.309 20 0 EDADLP CN(C)c1[nH+]cc(CNc2cccc(CN3CC[NH+](C)CC3)c2)n1C ZINC000414303038 447289295 /nfs/dbraw/zinc/28/92/95/447289295.db2.gz LGRGISFMOSXWQK-UHFFFAOYSA-N 2 2 342.491 1.846 20 0 EDADLP CN(C)c1[nH+]cc(CNc2cccc(C[NH+]3CCN(C)CC3)c2)n1C ZINC000414303038 447289304 /nfs/dbraw/zinc/28/93/04/447289304.db2.gz LGRGISFMOSXWQK-UHFFFAOYSA-N 2 2 342.491 1.846 20 0 EDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000387920346 447476129 /nfs/dbraw/zinc/47/61/29/447476129.db2.gz YRHWCCPMTBOOTG-UHFFFAOYSA-N 2 2 345.274 1.769 20 0 EDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000387920346 447476136 /nfs/dbraw/zinc/47/61/36/447476136.db2.gz YRHWCCPMTBOOTG-UHFFFAOYSA-N 2 2 345.274 1.769 20 0 EDADLP NC(=O)N1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390541869 447494862 /nfs/dbraw/zinc/49/48/62/447494862.db2.gz HMMFNPVNKXAJQL-GOSISDBHSA-N 2 2 346.475 1.410 20 0 EDADLP NC(=O)N1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390541869 447494870 /nfs/dbraw/zinc/49/48/70/447494870.db2.gz HMMFNPVNKXAJQL-GOSISDBHSA-N 2 2 346.475 1.410 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390549811 447494958 /nfs/dbraw/zinc/49/49/58/447494958.db2.gz JQUXSXSAIAGXMP-HOJAQTOUSA-N 3 2 347.503 1.634 20 0 EDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390549811 447494963 /nfs/dbraw/zinc/49/49/63/447494963.db2.gz JQUXSXSAIAGXMP-HOJAQTOUSA-N 3 2 347.503 1.634 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C(=O)OC)cs2)C1 ZINC000450457053 447495588 /nfs/dbraw/zinc/49/55/88/447495588.db2.gz USDBBLHRRRVJTO-ZDUSSCGKSA-N 2 2 341.477 1.862 20 0 EDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C(=O)OC)cs2)C1 ZINC000450457053 447495594 /nfs/dbraw/zinc/49/55/94/447495594.db2.gz USDBBLHRRRVJTO-ZDUSSCGKSA-N 2 2 341.477 1.862 20 0 EDADLP CC(C)Cn1ncnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392764975 447526964 /nfs/dbraw/zinc/52/69/64/447526964.db2.gz SWFLGHCAGSNLCH-JKSUJKDBSA-N 2 2 348.495 1.014 20 0 EDADLP CC(C)Cn1ncnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392764975 447526969 /nfs/dbraw/zinc/52/69/69/447526969.db2.gz SWFLGHCAGSNLCH-JKSUJKDBSA-N 2 2 348.495 1.014 20 0 EDADLP Cc1cc(CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc(C)[nH+]1 ZINC000422366763 447506859 /nfs/dbraw/zinc/50/68/59/447506859.db2.gz QGIDRULLTCCFTF-UHFFFAOYSA-N 2 2 346.475 1.553 20 0 EDADLP Cc1cccc(NCCNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)[nH+]1 ZINC000427370088 447587509 /nfs/dbraw/zinc/58/75/09/447587509.db2.gz NRBNNKWJSWKPCV-HNNXBMFYSA-N 2 2 342.447 1.913 20 0 EDADLP Cc1cccc(NCCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)[nH+]1 ZINC000427370088 447587515 /nfs/dbraw/zinc/58/75/15/447587515.db2.gz NRBNNKWJSWKPCV-HNNXBMFYSA-N 2 2 342.447 1.913 20 0 EDADLP CCn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000459023082 447542754 /nfs/dbraw/zinc/54/27/54/447542754.db2.gz YLCPTPDQPINOIA-HRCADAONSA-N 2 2 349.479 1.686 20 0 EDADLP COCCOc1cc2c(cc1C[N@@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)OCO2 ZINC000427112066 447546653 /nfs/dbraw/zinc/54/66/53/447546653.db2.gz YOOITTNIIPVIJO-ZFWWWQNUSA-N 2 2 334.416 1.624 20 0 EDADLP COCCOc1cc2c(cc1C[N@H+]1CC[C@@H]3[NH2+]CC[C@H]3C1)OCO2 ZINC000427112066 447546660 /nfs/dbraw/zinc/54/66/60/447546660.db2.gz YOOITTNIIPVIJO-ZFWWWQNUSA-N 2 2 334.416 1.624 20 0 EDADLP CC(C)(C[NH+]1CCCC1)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000457804605 447636448 /nfs/dbraw/zinc/63/64/48/447636448.db2.gz WWIZDXKHJQITTC-UHFFFAOYSA-N 2 2 333.480 1.936 20 0 EDADLP COC(=O)[C@H]([N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1(OC)CCC1 ZINC000459392805 447649925 /nfs/dbraw/zinc/64/99/25/447649925.db2.gz QGOKSDQRYDYSRU-ZBFHGGJFSA-N 2 2 335.448 1.785 20 0 EDADLP COC(=O)[C@H]([N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1(OC)CCC1 ZINC000459392805 447649930 /nfs/dbraw/zinc/64/99/30/447649930.db2.gz QGOKSDQRYDYSRU-ZBFHGGJFSA-N 2 2 335.448 1.785 20 0 EDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416916353 447708942 /nfs/dbraw/zinc/70/89/42/447708942.db2.gz QHIXOAHEDUUPCU-UHOFOFEASA-N 2 2 345.422 1.946 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C(C)(C)C(N)=O)CC1 ZINC000451138021 447697664 /nfs/dbraw/zinc/69/76/64/447697664.db2.gz KHAPSAANGIYGNT-OAHLLOKOSA-N 2 2 346.475 1.088 20 0 EDADLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)(C)C(N)=O)CC1 ZINC000451138021 447697669 /nfs/dbraw/zinc/69/76/69/447697669.db2.gz KHAPSAANGIYGNT-OAHLLOKOSA-N 2 2 346.475 1.088 20 0 EDADLP C[NH2+][C@H](C)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000416889286 447703205 /nfs/dbraw/zinc/70/32/05/447703205.db2.gz RDZDBKHGEZVVSK-WBVHZDCISA-N 2 2 334.464 1.275 20 0 EDADLP C[C@H]1COCCN1CC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030788 447656406 /nfs/dbraw/zinc/65/64/06/447656406.db2.gz UWXNTVQGTUYRHY-HOTGVXAUSA-N 2 2 334.464 1.321 20 0 EDADLP C[C@H]1COCCN1CC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451030788 447656409 /nfs/dbraw/zinc/65/64/09/447656409.db2.gz UWXNTVQGTUYRHY-HOTGVXAUSA-N 2 2 334.464 1.321 20 0 EDADLP Cc1cc(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)cc(C)[nH+]1 ZINC000422589739 447658589 /nfs/dbraw/zinc/65/85/89/447658589.db2.gz NFLGGDGZYJRYDK-UHFFFAOYSA-N 2 2 330.432 1.011 20 0 EDADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000416924965 447711760 /nfs/dbraw/zinc/71/17/60/447711760.db2.gz XFRDWNFCMAQTSF-IUODEOHRSA-N 2 2 333.411 1.946 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422722712 447728878 /nfs/dbraw/zinc/72/88/78/447728878.db2.gz YOLBIOZSRNUROA-YZGWKJHDSA-N 3 2 331.504 1.908 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422722712 447728883 /nfs/dbraw/zinc/72/88/83/447728883.db2.gz YOLBIOZSRNUROA-YZGWKJHDSA-N 3 2 331.504 1.908 20 0 EDADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422835946 447764585 /nfs/dbraw/zinc/76/45/85/447764585.db2.gz ZKWNLOVXBSAHFL-SJORKVTESA-N 3 2 332.496 1.096 20 0 EDADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)Cn1ccnn1 ZINC000459705582 447745247 /nfs/dbraw/zinc/74/52/47/447745247.db2.gz UTJRAJZEKJGBDN-INIZCTEOSA-N 2 2 349.866 1.547 20 0 EDADLP COc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000422774214 447747100 /nfs/dbraw/zinc/74/71/00/447747100.db2.gz WCZYSLQVGARGEL-IAGOWNOFSA-N 2 2 336.432 1.569 20 0 EDADLP CCOC[C@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000459709911 447747978 /nfs/dbraw/zinc/74/79/78/447747978.db2.gz UDVGGTOSUYZCBV-MRXNPFEDSA-N 2 2 341.496 1.104 20 0 EDADLP CCOC[C@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000459709911 447747982 /nfs/dbraw/zinc/74/79/82/447747982.db2.gz UDVGGTOSUYZCBV-MRXNPFEDSA-N 2 2 341.496 1.104 20 0 EDADLP CSCC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1nnc2ccccn21 ZINC000422798220 447753301 /nfs/dbraw/zinc/75/33/01/447753301.db2.gz QDVCDLWHIUAQGI-ZNMIVQPWSA-N 2 2 349.504 1.880 20 0 EDADLP c1ccc2c(c1)CC[N@@H+](CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422813558 447756917 /nfs/dbraw/zinc/75/69/17/447756917.db2.gz ZOPCKCIHFJBIDO-HSALFYBXSA-N 2 2 329.488 1.791 20 0 EDADLP c1ccc2c(c1)CC[N@H+](CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422813558 447756919 /nfs/dbraw/zinc/75/69/19/447756919.db2.gz ZOPCKCIHFJBIDO-HSALFYBXSA-N 2 2 329.488 1.791 20 0 EDADLP c1ncn(Cc2ccccc2C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000422822697 447759535 /nfs/dbraw/zinc/75/95/35/447759535.db2.gz BMHOEUNRSPQCIH-QZTJIDSGSA-N 2 2 327.432 1.183 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000422821477 447759838 /nfs/dbraw/zinc/75/98/38/447759838.db2.gz WMNGXUGVNIHHLM-SJLPKXTDSA-N 3 2 328.460 1.831 20 0 EDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422821477 447759841 /nfs/dbraw/zinc/75/98/41/447759841.db2.gz WMNGXUGVNIHHLM-SJLPKXTDSA-N 2 2 328.460 1.831 20 0 EDADLP FC(F)(F)COc1ncccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422824410 447760234 /nfs/dbraw/zinc/76/02/34/447760234.db2.gz HBCOFAOZUQFKHL-KBPBESRZSA-N 2 2 345.365 1.879 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422828372 447761874 /nfs/dbraw/zinc/76/18/74/447761874.db2.gz ANJBQRDZGMSELW-GOSISDBHSA-N 2 2 329.444 1.914 20 0 EDADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422828372 447761875 /nfs/dbraw/zinc/76/18/75/447761875.db2.gz ANJBQRDZGMSELW-GOSISDBHSA-N 2 2 329.444 1.914 20 0 EDADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422878194 447770519 /nfs/dbraw/zinc/77/05/19/447770519.db2.gz JIRCQWFTZWFALG-SQNIBIBYSA-N 3 2 338.540 1.830 20 0 EDADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422878194 447770520 /nfs/dbraw/zinc/77/05/20/447770520.db2.gz JIRCQWFTZWFALG-SQNIBIBYSA-N 3 2 338.540 1.830 20 0 EDADLP c1ccc2nc(NCC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)ccc2c1 ZINC000422917663 447772375 /nfs/dbraw/zinc/77/23/75/447772375.db2.gz FKJCCXOTIVOVSG-PKOBYXMFSA-N 2 2 326.444 2.003 20 0 EDADLP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)ccc1OCC(=O)N(C)C ZINC000422926231 447774037 /nfs/dbraw/zinc/77/40/37/447774037.db2.gz CIBSAXINFBWFEP-ZFWWWQNUSA-N 2 2 335.448 1.392 20 0 EDADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000422936161 447776189 /nfs/dbraw/zinc/77/61/89/447776189.db2.gz FAVUGPSIUAWIPY-BBWFWOEESA-N 2 2 347.459 1.330 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430561921 447779852 /nfs/dbraw/zinc/77/98/52/447779852.db2.gz PBFXHHNLLASLSE-OAHLLOKOSA-N 2 2 336.436 1.649 20 0 EDADLP COc1ccc(NC(=O)NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430561921 447779855 /nfs/dbraw/zinc/77/98/55/447779855.db2.gz PBFXHHNLLASLSE-OAHLLOKOSA-N 2 2 336.436 1.649 20 0 EDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C)CCOc1ccccc1F ZINC000430578677 447780333 /nfs/dbraw/zinc/78/03/33/447780333.db2.gz FJPXXMMYKODUGF-KRWDZBQOSA-N 2 2 325.428 1.626 20 0 EDADLP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422969206 447783953 /nfs/dbraw/zinc/78/39/53/447783953.db2.gz ZDMOKOSHOPZRNY-MANSERQUSA-N 3 2 338.540 1.005 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC[NH2+]CC1 ZINC000422986686 447787979 /nfs/dbraw/zinc/78/79/79/447787979.db2.gz DFAXEGPDRJMSDR-OWCLPIDISA-N 3 2 325.497 1.626 20 0 EDADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC[NH2+]CC1 ZINC000422986686 447787981 /nfs/dbraw/zinc/78/79/81/447787981.db2.gz DFAXEGPDRJMSDR-OWCLPIDISA-N 3 2 325.497 1.626 20 0 EDADLP FC(F)(F)c1cccc(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000423012932 447790781 /nfs/dbraw/zinc/79/07/81/447790781.db2.gz LONICYHKJQEXBF-DOMZBBRYSA-N 2 2 345.365 1.836 20 0 EDADLP FC(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423023957 447793070 /nfs/dbraw/zinc/79/30/70/447793070.db2.gz KXPNPQWXGKZGAT-ZNMIVQPWSA-N 2 2 341.402 1.972 20 0 EDADLP C[NH+](C)CCOCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000471649287 447806734 /nfs/dbraw/zinc/80/67/34/447806734.db2.gz YBWCBYYKFWOACP-UHFFFAOYSA-N 2 2 340.493 1.154 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccccc2C[NH+](C)C)C[C@H](C)O1 ZINC000487496542 447833955 /nfs/dbraw/zinc/83/39/55/447833955.db2.gz YKXOXDPFOQFRCN-IYBDPMFKSA-N 2 2 333.476 1.929 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccccc2C[NH+](C)C)C[C@H](C)O1 ZINC000487496542 447833957 /nfs/dbraw/zinc/83/39/57/447833957.db2.gz YKXOXDPFOQFRCN-IYBDPMFKSA-N 2 2 333.476 1.929 20 0 EDADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1c(Br)cnn1C ZINC000487314208 447829009 /nfs/dbraw/zinc/82/90/09/447829009.db2.gz CURQRLSFXCOWDE-NSHDSACASA-N 2 2 331.258 1.383 20 0 EDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)C[C@H](C)O1 ZINC000575742694 447887279 /nfs/dbraw/zinc/88/72/79/447887279.db2.gz LVYBJFLDWVVGFF-XDNAFOTISA-N 2 2 340.508 1.928 20 0 EDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)C[C@H](C)O1 ZINC000575742694 447887281 /nfs/dbraw/zinc/88/72/81/447887281.db2.gz LVYBJFLDWVVGFF-XDNAFOTISA-N 2 2 340.508 1.928 20 0 EDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550680026 447895690 /nfs/dbraw/zinc/89/56/90/447895690.db2.gz GQJXSTZHWQPOQV-NXOUGTEYSA-N 2 2 349.500 1.784 20 0 EDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000550680026 447895693 /nfs/dbraw/zinc/89/56/93/447895693.db2.gz GQJXSTZHWQPOQV-NXOUGTEYSA-N 2 2 349.500 1.784 20 0 EDADLP CN1C(=O)CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802164 447901111 /nfs/dbraw/zinc/90/11/11/447901111.db2.gz GXUHOQMIECBLIF-IRXDYDNUSA-N 2 2 341.455 1.921 20 0 EDADLP CN1C(=O)CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802164 447901115 /nfs/dbraw/zinc/90/11/15/447901115.db2.gz GXUHOQMIECBLIF-IRXDYDNUSA-N 2 2 341.455 1.921 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@H+]3CC[C@@H](C)C3)ccc2n1C ZINC000530567356 447916112 /nfs/dbraw/zinc/91/61/12/447916112.db2.gz VXWBOZQEJAOJOV-GFCCVEGCSA-N 2 2 343.431 1.278 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCC[N@@H+]3CC[C@@H](C)C3)ccc2n1C ZINC000530567356 447916115 /nfs/dbraw/zinc/91/61/15/447916115.db2.gz VXWBOZQEJAOJOV-GFCCVEGCSA-N 2 2 343.431 1.278 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(Cl)cc4cccnc43)CCN2C1=O ZINC000575935037 447932138 /nfs/dbraw/zinc/93/21/38/447932138.db2.gz CPIXEPILPWYYLQ-GJZGRUSLSA-N 2 2 330.819 1.632 20 0 EDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(Cl)cc4cccnc43)CCN2C1=O ZINC000575935037 447932145 /nfs/dbraw/zinc/93/21/45/447932145.db2.gz CPIXEPILPWYYLQ-GJZGRUSLSA-N 2 2 330.819 1.632 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000525482919 448001333 /nfs/dbraw/zinc/00/13/33/448001333.db2.gz QYKXLHMIJOEKSV-GOSISDBHSA-N 2 2 342.443 1.681 20 0 EDADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000525482919 448001336 /nfs/dbraw/zinc/00/13/36/448001336.db2.gz QYKXLHMIJOEKSV-GOSISDBHSA-N 2 2 342.443 1.681 20 0 EDADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000570491946 448024446 /nfs/dbraw/zinc/02/44/46/448024446.db2.gz SCCLQUULUNICGO-CYBMUJFWSA-N 2 2 331.420 1.509 20 0 EDADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000570491946 448024451 /nfs/dbraw/zinc/02/44/51/448024451.db2.gz SCCLQUULUNICGO-CYBMUJFWSA-N 2 2 331.420 1.509 20 0 EDADLP CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000576321654 448025375 /nfs/dbraw/zinc/02/53/75/448025375.db2.gz RRKDOFVAHOYDOR-KDOFPFPSSA-N 2 2 333.476 1.760 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000496931594 448048599 /nfs/dbraw/zinc/04/85/99/448048599.db2.gz STIQPFUGAMLWLJ-YMAMQOFZSA-N 2 2 327.469 1.479 20 0 EDADLP CC(C)(C)OC(=O)NC1CC([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000496931594 448048604 /nfs/dbraw/zinc/04/86/04/448048604.db2.gz STIQPFUGAMLWLJ-YMAMQOFZSA-N 2 2 327.469 1.479 20 0 EDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Br)c(F)c2)[C@@H](C[NH3+])C1 ZINC000576448025 448056708 /nfs/dbraw/zinc/05/67/08/448056708.db2.gz DCDKMEVFCOJVLY-JTQLQIEISA-N 2 2 345.216 1.695 20 0 EDADLP C[N@H+]1CCN(C(=O)Nc2ccc(Br)c(F)c2)[C@@H](C[NH3+])C1 ZINC000576448025 448056713 /nfs/dbraw/zinc/05/67/13/448056713.db2.gz DCDKMEVFCOJVLY-JTQLQIEISA-N 2 2 345.216 1.695 20 0 EDADLP C[NH+]1CCN(Cc2cccc(C(=O)N3CC(n4cc[nH+]c4)C3)c2)CC1 ZINC000531300168 448057766 /nfs/dbraw/zinc/05/77/66/448057766.db2.gz MGEMMXXZJYXIPY-UHFFFAOYSA-N 2 2 339.443 1.328 20 0 EDADLP CCn1c[nH+]cc1CN1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496896305 448015115 /nfs/dbraw/zinc/01/51/15/448015115.db2.gz XJBFQAGTRKJRNK-HNNXBMFYSA-N 2 2 337.468 1.544 20 0 EDADLP CCn1c[nH+]cc1CN1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496896305 448015123 /nfs/dbraw/zinc/01/51/23/448015123.db2.gz XJBFQAGTRKJRNK-HNNXBMFYSA-N 2 2 337.468 1.544 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000497331843 448069954 /nfs/dbraw/zinc/06/99/54/448069954.db2.gz QBEOYNHWAUGXPA-LTIDMASMSA-N 2 2 328.460 1.849 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000497331843 448069957 /nfs/dbraw/zinc/06/99/57/448069957.db2.gz QBEOYNHWAUGXPA-LTIDMASMSA-N 2 2 328.460 1.849 20 0 EDADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)Nc1ccc2c(c1)CCC2 ZINC000570859842 448076524 /nfs/dbraw/zinc/07/65/24/448076524.db2.gz IQJIUFVQFKIIRJ-UHFFFAOYSA-N 2 2 325.416 1.659 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000498426885 448077053 /nfs/dbraw/zinc/07/70/53/448077053.db2.gz AOCXPVHMVTYWBW-QBPKDAKJSA-N 2 2 328.460 1.897 20 0 EDADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000498426885 448077056 /nfs/dbraw/zinc/07/70/56/448077056.db2.gz AOCXPVHMVTYWBW-QBPKDAKJSA-N 2 2 328.460 1.897 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc2n1C ZINC000576845190 448154026 /nfs/dbraw/zinc/15/40/26/448154026.db2.gz WQCREEWOZSERNV-JSGCOSHPSA-N 2 2 341.415 1.031 20 0 EDADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000576687122 448114098 /nfs/dbraw/zinc/11/40/98/448114098.db2.gz STROOPSOUCBFOD-NWDGAFQWSA-N 2 2 333.823 1.739 20 0 EDADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC[NH+]1CCOCC1)c1ccco1 ZINC000505740750 448125415 /nfs/dbraw/zinc/12/54/15/448125415.db2.gz WRFONSITUHVUFC-HUUCEWRRSA-N 2 2 338.452 1.340 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)C2 ZINC000526997228 448135301 /nfs/dbraw/zinc/13/53/01/448135301.db2.gz OVYXZAQOZROAHA-KBPBESRZSA-N 2 2 334.464 1.427 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)CC2 ZINC000526997228 448135304 /nfs/dbraw/zinc/13/53/04/448135304.db2.gz OVYXZAQOZROAHA-KBPBESRZSA-N 2 2 334.464 1.427 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1 ZINC000571315253 448136030 /nfs/dbraw/zinc/13/60/30/448136030.db2.gz DNDCRSOGKVBQHM-HOTGVXAUSA-N 2 2 337.851 1.490 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)C1CC1 ZINC000571315253 448136035 /nfs/dbraw/zinc/13/60/35/448136035.db2.gz DNDCRSOGKVBQHM-HOTGVXAUSA-N 2 2 337.851 1.490 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)CC1 ZINC000571331589 448138049 /nfs/dbraw/zinc/13/80/49/448138049.db2.gz RZPRFDLTQWYYCR-OAHLLOKOSA-N 3 2 345.491 1.120 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCc4cncn4C3)CC2)CC1 ZINC000571331589 448138054 /nfs/dbraw/zinc/13/80/54/448138054.db2.gz RZPRFDLTQWYYCR-OAHLLOKOSA-N 2 2 345.491 1.120 20 0 EDADLP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000514596240 448167927 /nfs/dbraw/zinc/16/79/27/448167927.db2.gz NRDRBKJLEZHWEM-WISYIIOYSA-N 2 2 325.482 1.651 20 0 EDADLP CC(C)(C)OC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000591020941 448235277 /nfs/dbraw/zinc/23/52/77/448235277.db2.gz FPQLLIIILGBGJB-AWEZNQCLSA-N 2 2 325.453 1.132 20 0 EDADLP CC(C)(C)OC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000591020941 448235283 /nfs/dbraw/zinc/23/52/83/448235283.db2.gz FPQLLIIILGBGJB-AWEZNQCLSA-N 2 2 325.453 1.132 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000582476093 448246910 /nfs/dbraw/zinc/24/69/10/448246910.db2.gz IKHQQTYKTMOUFV-INIZCTEOSA-N 2 2 325.416 1.908 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nn1-c1ccc(C)cc1 ZINC000562756802 448267997 /nfs/dbraw/zinc/26/79/97/448267997.db2.gz HXSKWNMLQWOJTF-MRXNPFEDSA-N 2 2 342.447 1.596 20 0 EDADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nn1-c1ccc(C)cc1 ZINC000562756802 448268004 /nfs/dbraw/zinc/26/80/04/448268004.db2.gz HXSKWNMLQWOJTF-MRXNPFEDSA-N 2 2 342.447 1.596 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000582494997 448254347 /nfs/dbraw/zinc/25/43/47/448254347.db2.gz RTMYSFMDTVUJKE-RTBURBONSA-N 2 2 335.492 1.271 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000582494997 448254352 /nfs/dbraw/zinc/25/43/52/448254352.db2.gz RTMYSFMDTVUJKE-RTBURBONSA-N 2 2 335.492 1.271 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000572014402 448264625 /nfs/dbraw/zinc/26/46/25/448264625.db2.gz WFGHGYIFRHFFPN-UHFFFAOYSA-N 2 2 345.447 1.367 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000572014402 448264632 /nfs/dbraw/zinc/26/46/32/448264632.db2.gz WFGHGYIFRHFFPN-UHFFFAOYSA-N 2 2 345.447 1.367 20 0 EDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3n[nH]c(C)c3C)CC2)CC1 ZINC000577498896 448314156 /nfs/dbraw/zinc/31/41/56/448314156.db2.gz MUMJKDCFYSNYLD-UHFFFAOYSA-N 2 2 333.480 1.659 20 0 EDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3n[nH]c(C)c3C)CC2)CC1 ZINC000577498896 448314161 /nfs/dbraw/zinc/31/41/61/448314161.db2.gz MUMJKDCFYSNYLD-UHFFFAOYSA-N 2 2 333.480 1.659 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@]34CCNC4=O)c2cc1C ZINC000582795273 448343361 /nfs/dbraw/zinc/34/33/61/448343361.db2.gz YTYWYDYSVQLQIA-HNAYVOBHSA-N 2 2 342.443 1.369 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@]34CCNC4=O)c2cc1C ZINC000582795273 448343367 /nfs/dbraw/zinc/34/33/67/448343367.db2.gz YTYWYDYSVQLQIA-HNAYVOBHSA-N 2 2 342.443 1.369 20 0 EDADLP COc1c(N)[nH+]cnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000577650519 448353023 /nfs/dbraw/zinc/35/30/23/448353023.db2.gz WFAXTWJBSHGGIQ-KBPBESRZSA-N 2 2 349.479 1.783 20 0 EDADLP COc1c(N)nc[nH+]c1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000577650519 448353027 /nfs/dbraw/zinc/35/30/27/448353027.db2.gz WFAXTWJBSHGGIQ-KBPBESRZSA-N 2 2 349.479 1.783 20 0 EDADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000591442717 448364726 /nfs/dbraw/zinc/36/47/26/448364726.db2.gz WYHJNEQPIICKGK-WMZOPIPTSA-N 2 2 331.460 1.395 20 0 EDADLP C[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000591442717 448364730 /nfs/dbraw/zinc/36/47/30/448364730.db2.gz WYHJNEQPIICKGK-WMZOPIPTSA-N 2 2 331.460 1.395 20 0 EDADLP CCc1cc(N2CCC[C@H]([NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)C2)ncn1 ZINC000572392098 448366799 /nfs/dbraw/zinc/36/67/99/448366799.db2.gz KYKSGUDXJFYPPD-HYVNUMGLSA-N 2 2 333.480 1.364 20 0 EDADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000577837277 448397171 /nfs/dbraw/zinc/39/71/71/448397171.db2.gz RDGFZXOXYHKMTP-UHFFFAOYSA-N 2 2 338.496 1.271 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)n2C ZINC000577838847 448398044 /nfs/dbraw/zinc/39/80/44/448398044.db2.gz FPZGLMSDBATBNK-LBPRGKRZSA-N 2 2 330.436 1.201 20 0 EDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)C[C@@H]1CCC[N@H+]1C)n2C ZINC000577838847 448398048 /nfs/dbraw/zinc/39/80/48/448398048.db2.gz FPZGLMSDBATBNK-LBPRGKRZSA-N 2 2 330.436 1.201 20 0 EDADLP CN(C)c1ccc(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])c[nH+]1 ZINC000566191380 448410559 /nfs/dbraw/zinc/41/05/59/448410559.db2.gz JRJKECYVRCQDNF-QGZVFWFLSA-N 2 2 339.443 1.915 20 0 EDADLP C[NH+]1CCC(CNC(=O)c2cc3n(n2)CCC3)([NH+]2CCCCC2)CC1 ZINC000516538701 448434591 /nfs/dbraw/zinc/43/45/91/448434591.db2.gz ODWRQSVKLSQLHW-UHFFFAOYSA-N 2 2 345.491 1.509 20 0 EDADLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000566301116 448441286 /nfs/dbraw/zinc/44/12/86/448441286.db2.gz KUYLZECZSXIMPY-UHFFFAOYSA-N 2 2 345.896 1.904 20 0 EDADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000566301116 448441291 /nfs/dbraw/zinc/44/12/91/448441291.db2.gz KUYLZECZSXIMPY-UHFFFAOYSA-N 2 2 345.896 1.904 20 0 EDADLP Cc1ccc(NC(=O)CC[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)nc1 ZINC000572707585 448443596 /nfs/dbraw/zinc/44/35/96/448443596.db2.gz KUPKZFKNTDEFIT-INIZCTEOSA-N 2 2 334.464 1.665 20 0 EDADLP Cc1ccc(NC(=O)CC[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)nc1 ZINC000572707585 448443602 /nfs/dbraw/zinc/44/36/02/448443602.db2.gz KUPKZFKNTDEFIT-INIZCTEOSA-N 2 2 334.464 1.665 20 0 EDADLP O=C1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1c1ccccc1F ZINC000572712677 448445608 /nfs/dbraw/zinc/44/56/08/448445608.db2.gz QJZBQFUMEFQRJR-OWQGQXMQSA-N 2 2 333.407 1.288 20 0 EDADLP C[C@H](CC(=O)NCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1)n1cc[nH+]c1 ZINC000566341343 448449343 /nfs/dbraw/zinc/44/93/43/448449343.db2.gz RJYWVUMLDMCPRH-CABCVRRESA-N 2 2 346.435 1.257 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528290540 448477537 /nfs/dbraw/zinc/47/75/37/448477537.db2.gz YBMJCPVYPBYVRE-GDBMZVCRSA-N 2 2 331.464 1.936 20 0 EDADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528290540 448477541 /nfs/dbraw/zinc/47/75/41/448477541.db2.gz YBMJCPVYPBYVRE-GDBMZVCRSA-N 2 2 331.464 1.936 20 0 EDADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000517038532 448530414 /nfs/dbraw/zinc/53/04/14/448530414.db2.gz GBHHMNCKWAJJBI-HNNXBMFYSA-N 2 2 342.443 1.737 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578513015 448565414 /nfs/dbraw/zinc/56/54/14/448565414.db2.gz IBNNHRITDYSFAU-IAGOWNOFSA-N 3 2 335.496 1.709 20 0 EDADLP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000517338223 448573141 /nfs/dbraw/zinc/57/31/41/448573141.db2.gz NPOZQVPPMPGFHF-WMZOPIPTSA-N 2 2 341.459 1.800 20 0 EDADLP O=C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Nc1ccc(F)c(F)c1F ZINC000584584939 448577689 /nfs/dbraw/zinc/57/76/89/448577689.db2.gz NOOJDCRNKPWDRY-MLGOLLRUSA-N 2 2 343.349 1.399 20 0 EDADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000536984826 448548330 /nfs/dbraw/zinc/54/83/30/448548330.db2.gz VMCLSTJFWSOQHW-RBSFLKMASA-N 2 2 341.463 2.086 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000567110589 448616382 /nfs/dbraw/zinc/61/63/82/448616382.db2.gz NLKOMTOVLTYYEL-NHCUHLMSSA-N 2 2 340.467 1.599 20 0 EDADLP O[C@@H](C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000567110589 448616387 /nfs/dbraw/zinc/61/63/87/448616387.db2.gz NLKOMTOVLTYYEL-NHCUHLMSSA-N 2 2 340.467 1.599 20 0 EDADLP C[N@@H+]1CCN(C(=O)NCCc2cc3ccccc3s2)[C@H](C[NH3+])C1 ZINC000573429588 448622855 /nfs/dbraw/zinc/62/28/55/448622855.db2.gz NALNEPSPTBNBAO-CQSZACIVSA-N 2 2 332.473 1.728 20 0 EDADLP C[N@H+]1CCN(C(=O)NCCc2cc3ccccc3s2)[C@H](C[NH3+])C1 ZINC000573429588 448622861 /nfs/dbraw/zinc/62/28/61/448622861.db2.gz NALNEPSPTBNBAO-CQSZACIVSA-N 2 2 332.473 1.728 20 0 EDADLP c1cc(C[NH+]2CCOCC2)cc(-c2noc(C[C@@H]3COCC[NH2+]3)n2)c1 ZINC000573305408 448591154 /nfs/dbraw/zinc/59/11/54/448591154.db2.gz BRAGNEBMSHOGMF-MRXNPFEDSA-N 2 2 344.415 1.100 20 0 EDADLP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000573316977 448595629 /nfs/dbraw/zinc/59/56/29/448595629.db2.gz SJPNCRNJBYRPSA-MKXGPGLRSA-N 3 2 341.540 1.558 20 0 EDADLP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000573316977 448595634 /nfs/dbraw/zinc/59/56/34/448595634.db2.gz SJPNCRNJBYRPSA-MKXGPGLRSA-N 3 2 341.540 1.558 20 0 EDADLP CNc1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)[nH+]c2ccccc21 ZINC000584820216 448640895 /nfs/dbraw/zinc/64/08/95/448640895.db2.gz LVPRDRVFKVXGMW-AWEZNQCLSA-N 2 2 327.432 1.830 20 0 EDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3C[NH+](C(C)C)C3)CC2)CC1 ZINC000518214272 448655428 /nfs/dbraw/zinc/65/54/28/448655428.db2.gz RDFFWTHPURJBEE-UHFFFAOYSA-N 3 2 336.524 1.392 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276670 448656504 /nfs/dbraw/zinc/65/65/04/448656504.db2.gz QYMPAXNABPGERY-GJZGRUSLSA-N 2 2 349.479 1.478 20 0 EDADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276670 448656507 /nfs/dbraw/zinc/65/65/07/448656507.db2.gz QYMPAXNABPGERY-GJZGRUSLSA-N 2 2 349.479 1.478 20 0 EDADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000578891494 448663656 /nfs/dbraw/zinc/66/36/56/448663656.db2.gz CAQUSCGRTCPXMQ-HZPDHXFCSA-N 2 2 342.867 1.516 20 0 EDADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000578891494 448663661 /nfs/dbraw/zinc/66/36/61/448663661.db2.gz CAQUSCGRTCPXMQ-HZPDHXFCSA-N 2 2 342.867 1.516 20 0 EDADLP Cn1cc[nH+]c1-c1cccc(NC(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528679857 448627635 /nfs/dbraw/zinc/62/76/35/448627635.db2.gz KWIMJIKAQSHNIC-UHFFFAOYSA-N 2 2 329.404 1.717 20 0 EDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(OCC(F)(F)F)nc1)C1CC1 ZINC000578758917 448629104 /nfs/dbraw/zinc/62/91/04/448629104.db2.gz FGHIWYLWFNAGOM-ZDUSSCGKSA-N 2 2 333.354 1.567 20 0 EDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(OCC(F)(F)F)nc1)C1CC1 ZINC000578758917 448629108 /nfs/dbraw/zinc/62/91/08/448629108.db2.gz FGHIWYLWFNAGOM-ZDUSSCGKSA-N 2 2 333.354 1.567 20 0 EDADLP CC1CC[NH+]([C@H](C[NH2+]CCC(=O)NC(N)=O)c2cccs2)CC1 ZINC000573744660 448702454 /nfs/dbraw/zinc/70/24/54/448702454.db2.gz RREHGIMXNYNYDO-CYBMUJFWSA-N 2 2 338.477 1.696 20 0 EDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)n1C ZINC000579067777 448703473 /nfs/dbraw/zinc/70/34/73/448703473.db2.gz PVYKVABKAWDUKH-OAHLLOKOSA-N 2 2 328.420 1.166 20 0 EDADLP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)n2)c1 ZINC000579108283 448715899 /nfs/dbraw/zinc/71/58/99/448715899.db2.gz OIHUBSGIGPNZHN-MELADBBJSA-N 2 2 330.436 1.593 20 0 EDADLP COc1ccc2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc2n1 ZINC000567589504 448717797 /nfs/dbraw/zinc/71/77/97/448717797.db2.gz CNJBWGOHZOWLQP-AWEZNQCLSA-N 2 2 329.404 1.350 20 0 EDADLP COc1ccc2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc2n1 ZINC000567589504 448717798 /nfs/dbraw/zinc/71/77/98/448717798.db2.gz CNJBWGOHZOWLQP-AWEZNQCLSA-N 2 2 329.404 1.350 20 0 EDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000567624558 448726806 /nfs/dbraw/zinc/72/68/06/448726806.db2.gz SGNDSDQDAHXUEV-CABCVRRESA-N 2 2 340.489 1.724 20 0 EDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000567624558 448726810 /nfs/dbraw/zinc/72/68/10/448726810.db2.gz SGNDSDQDAHXUEV-CABCVRRESA-N 2 2 340.489 1.724 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000567624558 448726813 /nfs/dbraw/zinc/72/68/13/448726813.db2.gz SGNDSDQDAHXUEV-CABCVRRESA-N 2 2 340.489 1.724 20 0 EDADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000567624558 448726815 /nfs/dbraw/zinc/72/68/15/448726815.db2.gz SGNDSDQDAHXUEV-CABCVRRESA-N 2 2 340.489 1.724 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCO1 ZINC000518983188 448729228 /nfs/dbraw/zinc/72/92/28/448729228.db2.gz DZZUYARAAUSUKI-NVXWUHKLSA-N 2 2 325.497 1.901 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCO1 ZINC000518983188 448729233 /nfs/dbraw/zinc/72/92/33/448729233.db2.gz DZZUYARAAUSUKI-NVXWUHKLSA-N 2 2 325.497 1.901 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)OCC(=O)N2 ZINC000579197640 448734409 /nfs/dbraw/zinc/73/44/09/448734409.db2.gz IOJVLOMVNGWGTK-ZFWWWQNUSA-N 2 2 333.432 1.515 20 0 EDADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)OCC(=O)N2 ZINC000579197640 448734414 /nfs/dbraw/zinc/73/44/14/448734414.db2.gz IOJVLOMVNGWGTK-ZFWWWQNUSA-N 2 2 333.432 1.515 20 0 EDADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000579504474 448811486 /nfs/dbraw/zinc/81/14/86/448811486.db2.gz QDVLLUZCYJXNSB-UHFFFAOYSA-N 2 2 340.512 1.022 20 0 EDADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000579504474 448811489 /nfs/dbraw/zinc/81/14/89/448811489.db2.gz QDVLLUZCYJXNSB-UHFFFAOYSA-N 2 2 340.512 1.022 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000579504474 448811492 /nfs/dbraw/zinc/81/14/92/448811492.db2.gz QDVLLUZCYJXNSB-UHFFFAOYSA-N 2 2 340.512 1.022 20 0 EDADLP CC(C)NC(=O)C[NH+](C)CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000579504474 448811495 /nfs/dbraw/zinc/81/14/95/448811495.db2.gz QDVLLUZCYJXNSB-UHFFFAOYSA-N 2 2 340.512 1.022 20 0 EDADLP COc1cc(F)cc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000574029789 448772582 /nfs/dbraw/zinc/77/25/82/448772582.db2.gz ZGNDXOMPJQHPQC-MRXNPFEDSA-N 2 2 346.406 1.849 20 0 EDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000568164563 448826506 /nfs/dbraw/zinc/82/65/06/448826506.db2.gz UBKLSYHURLHCHN-GOSISDBHSA-N 2 2 342.524 1.987 20 0 EDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000568164563 448826509 /nfs/dbraw/zinc/82/65/09/448826509.db2.gz UBKLSYHURLHCHN-GOSISDBHSA-N 2 2 342.524 1.987 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)F ZINC000579611208 448835696 /nfs/dbraw/zinc/83/56/96/448835696.db2.gz PRBQTBINGRRSEH-CMPLNLGQSA-N 2 2 330.354 1.809 20 0 EDADLP Cn1cc[nH+]c1[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CC2)C1)C(F)(F)F ZINC000579611208 448835702 /nfs/dbraw/zinc/83/57/02/448835702.db2.gz PRBQTBINGRRSEH-CMPLNLGQSA-N 2 2 330.354 1.809 20 0 EDADLP CCn1c[nH+]cc1CNc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000579689355 448852595 /nfs/dbraw/zinc/85/25/95/448852595.db2.gz QVFKZQHVMFFUCO-UHFFFAOYSA-N 2 2 327.432 1.903 20 0 EDADLP CC(C)c1nc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cs1 ZINC000579690355 448852721 /nfs/dbraw/zinc/85/27/21/448852721.db2.gz AFIHEJRGMKIBGM-CYBMUJFWSA-N 2 2 325.482 1.093 20 0 EDADLP CC(C)c1nc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cs1 ZINC000579690355 448852727 /nfs/dbraw/zinc/85/27/27/448852727.db2.gz AFIHEJRGMKIBGM-CYBMUJFWSA-N 2 2 325.482 1.093 20 0 EDADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)c1cn([C@@H]2CCOC2)nn1 ZINC000574435936 448874344 /nfs/dbraw/zinc/87/43/44/448874344.db2.gz ABIFLGWPFKPBHE-LLVKDONJSA-N 2 2 325.332 1.073 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)CC[C@H]1[NH3+] ZINC000592489432 448859504 /nfs/dbraw/zinc/85/95/04/448859504.db2.gz VPNXLUHTQPNTFI-UKRRQHHQSA-N 2 2 333.432 1.779 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)CC[C@H]1[NH3+] ZINC000592489432 448859506 /nfs/dbraw/zinc/85/95/06/448859506.db2.gz VPNXLUHTQPNTFI-UKRRQHHQSA-N 2 2 333.432 1.779 20 0 EDADLP COc1ccc([C@@H](CNC(=O)Cc2c[nH+]cn2C)[NH+]2CCCC2)cc1 ZINC000547540110 448897117 /nfs/dbraw/zinc/89/71/17/448897117.db2.gz TWVSNKMGZMNYLZ-GOSISDBHSA-N 2 2 342.443 1.925 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000592557937 448900864 /nfs/dbraw/zinc/90/08/64/448900864.db2.gz SLYSWZIKGAHVLH-INIZCTEOSA-N 2 2 339.528 1.138 20 0 EDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000592557937 448900868 /nfs/dbraw/zinc/90/08/68/448900868.db2.gz SLYSWZIKGAHVLH-INIZCTEOSA-N 2 2 339.528 1.138 20 0 EDADLP O=C(CC[NH2+]CC[NH+]1CCC(O)CC1)Nc1ccc(Cl)cc1 ZINC000568866719 448931189 /nfs/dbraw/zinc/93/11/89/448931189.db2.gz KOEBDQNXYPEANM-UHFFFAOYSA-N 2 2 325.840 1.715 20 0 EDADLP Cn1c[nH+]cc1CCNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000547482793 448887711 /nfs/dbraw/zinc/88/77/11/448887711.db2.gz RDVQCCPIBRBDFN-SFHVURJKSA-N 2 2 342.443 1.277 20 0 EDADLP C[C@@H]1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@H](n2cncn2)C1 ZINC000568618362 448894770 /nfs/dbraw/zinc/89/47/70/448894770.db2.gz HIBWJUVLNTVFFD-HYVNUMGLSA-N 2 2 341.463 1.925 20 0 EDADLP CC(C)[C@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[NH+]1CCOCC1 ZINC000588914025 448949814 /nfs/dbraw/zinc/94/98/14/448949814.db2.gz LEYYYCWVRDRGSZ-INIZCTEOSA-N 2 2 349.479 1.375 20 0 EDADLP CN(C)[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000574804114 448959657 /nfs/dbraw/zinc/95/96/57/448959657.db2.gz XUPNSSNRYSJWIW-PBHICJAKSA-N 2 2 325.884 1.987 20 0 EDADLP CN(C)[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804114 448959664 /nfs/dbraw/zinc/95/96/64/448959664.db2.gz XUPNSSNRYSJWIW-PBHICJAKSA-N 2 2 325.884 1.987 20 0 EDADLP C[NH+](C)[C@@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000574804114 448959677 /nfs/dbraw/zinc/95/96/77/448959677.db2.gz XUPNSSNRYSJWIW-PBHICJAKSA-N 2 2 325.884 1.987 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC000529835567 448978002 /nfs/dbraw/zinc/97/80/02/448978002.db2.gz IPCWKGOEINUYIN-HNNXBMFYSA-N 2 2 328.416 1.660 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC000529835567 448978008 /nfs/dbraw/zinc/97/80/08/448978008.db2.gz IPCWKGOEINUYIN-HNNXBMFYSA-N 2 2 328.416 1.660 20 0 EDADLP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000574891154 448982808 /nfs/dbraw/zinc/98/28/08/448982808.db2.gz DJVYLUUCHDGOOG-OAHLLOKOSA-N 2 2 348.447 1.065 20 0 EDADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)[C@@H]1C ZINC000569299067 448995100 /nfs/dbraw/zinc/99/51/00/448995100.db2.gz UBKGPSUMMGTJRY-NCOADZHNSA-N 2 2 345.491 1.916 20 0 EDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000575326857 449078358 /nfs/dbraw/zinc/07/83/58/449078358.db2.gz INWKAWVWKIKSLU-HNNXBMFYSA-N 2 2 334.464 1.549 20 0 EDADLP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CCCO1 ZINC000582229188 449042422 /nfs/dbraw/zinc/04/24/22/449042422.db2.gz QKSKNZJDHSGGSR-CQSZACIVSA-N 2 2 330.388 1.355 20 0 EDADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CCCO1 ZINC000582229188 449042427 /nfs/dbraw/zinc/04/24/27/449042427.db2.gz QKSKNZJDHSGGSR-CQSZACIVSA-N 2 2 330.388 1.355 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000589650051 449047056 /nfs/dbraw/zinc/04/70/56/449047056.db2.gz WJRFTYXQEMZWEZ-KRWDZBQOSA-N 2 2 329.448 1.595 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000589650051 449047062 /nfs/dbraw/zinc/04/70/62/449047062.db2.gz WJRFTYXQEMZWEZ-KRWDZBQOSA-N 2 2 329.448 1.595 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589650051 449047068 /nfs/dbraw/zinc/04/70/68/449047068.db2.gz WJRFTYXQEMZWEZ-KRWDZBQOSA-N 2 2 329.448 1.595 20 0 EDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000589650051 449047071 /nfs/dbraw/zinc/04/70/71/449047071.db2.gz WJRFTYXQEMZWEZ-KRWDZBQOSA-N 2 2 329.448 1.595 20 0 EDADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000575172898 449053905 /nfs/dbraw/zinc/05/39/05/449053905.db2.gz SNDNNAOHNMKUQP-WJFTUGDTSA-N 3 2 337.508 1.111 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000595663443 449106196 /nfs/dbraw/zinc/10/61/96/449106196.db2.gz KEKQWZSMAHLFLV-FGTMMUONSA-N 2 2 348.443 1.198 20 0 EDADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000595663443 449106198 /nfs/dbraw/zinc/10/61/98/449106198.db2.gz KEKQWZSMAHLFLV-FGTMMUONSA-N 2 2 348.443 1.198 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000593733263 449168226 /nfs/dbraw/zinc/16/82/26/449168226.db2.gz KKYBKRWDTDDDBO-XJKSGUPXSA-N 2 2 333.432 1.861 20 0 EDADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000593733263 449168230 /nfs/dbraw/zinc/16/82/30/449168230.db2.gz KKYBKRWDTDDDBO-XJKSGUPXSA-N 2 2 333.432 1.861 20 0 EDADLP CNC(=O)c1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000604389868 449223817 /nfs/dbraw/zinc/22/38/17/449223817.db2.gz IFKQMRAZYHRSIV-SFHVURJKSA-N 2 2 330.476 1.258 20 0 EDADLP CNC(=O)c1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000604389868 449223820 /nfs/dbraw/zinc/22/38/20/449223820.db2.gz IFKQMRAZYHRSIV-SFHVURJKSA-N 2 2 330.476 1.258 20 0 EDADLP CN(CC1CC[NH+](C)CC1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000590956815 449359053 /nfs/dbraw/zinc/35/90/53/449359053.db2.gz QLPMSHUXYREEAQ-UHFFFAOYSA-N 2 2 330.476 1.985 20 0 EDADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000605876308 449417290 /nfs/dbraw/zinc/41/72/90/449417290.db2.gz DAOCFSRBCNKLGH-QGZVFWFLSA-N 2 2 332.448 1.022 20 0 EDADLP COCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000605876308 449417298 /nfs/dbraw/zinc/41/72/98/449417298.db2.gz DAOCFSRBCNKLGH-QGZVFWFLSA-N 2 2 332.448 1.022 20 0 EDADLP CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000606439284 449467914 /nfs/dbraw/zinc/46/79/14/449467914.db2.gz OFLBWZWSYNDORT-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000606439284 449467916 /nfs/dbraw/zinc/46/79/16/449467916.db2.gz OFLBWZWSYNDORT-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP COC(=O)c1csc([C@H](C)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC000600715020 449513732 /nfs/dbraw/zinc/51/37/32/449513732.db2.gz XCVSWXRVXMOAFT-GWCFXTLKSA-N 2 2 335.433 1.511 20 0 EDADLP COC(=O)c1csc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000602430518 449580025 /nfs/dbraw/zinc/58/00/25/449580025.db2.gz AUWWSNVANSJJRW-UHFFFAOYSA-N 2 2 337.489 1.748 20 0 EDADLP OCCSCc1cc[nH+]c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594498216 449557467 /nfs/dbraw/zinc/55/74/67/449557467.db2.gz OSYURTHIVCXKNY-INIZCTEOSA-N 2 2 337.489 1.972 20 0 EDADLP Cc1[nH+]ccn1CC(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000614386228 449587753 /nfs/dbraw/zinc/58/77/53/449587753.db2.gz APBBTYSVZMXONP-UHFFFAOYSA-N 2 2 336.823 1.908 20 0 EDADLP Cc1[nH+]ccn1CC(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000614386228 449587759 /nfs/dbraw/zinc/58/77/59/449587759.db2.gz APBBTYSVZMXONP-UHFFFAOYSA-N 2 2 336.823 1.908 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)[nH]c1C ZINC000602463369 449609264 /nfs/dbraw/zinc/60/92/64/449609264.db2.gz VHLDUDUVOFECGE-KRWDZBQOSA-N 2 2 348.491 1.712 20 0 EDADLP COC(=O)c1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)[nH]c1C ZINC000602463369 449609266 /nfs/dbraw/zinc/60/92/66/449609266.db2.gz VHLDUDUVOFECGE-KRWDZBQOSA-N 2 2 348.491 1.712 20 0 EDADLP CCC(CC)[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000607907517 449664917 /nfs/dbraw/zinc/66/49/17/449664917.db2.gz LMLQLPMGYQKBDK-MAUKXSAKSA-N 2 2 339.524 1.970 20 0 EDADLP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)on1 ZINC000602571981 449680965 /nfs/dbraw/zinc/68/09/65/449680965.db2.gz IFZUFELHPYPKET-UHFFFAOYSA-N 2 2 339.436 1.830 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccccc3Oc3cccnc3)CCN2C1=O ZINC000594874961 449789696 /nfs/dbraw/zinc/78/96/96/449789696.db2.gz BFOOHVODNHLIMY-DOTOQJQBSA-N 2 2 338.411 1.618 20 0 EDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3Oc3cccnc3)CCN2C1=O ZINC000594874961 449789701 /nfs/dbraw/zinc/78/97/01/449789701.db2.gz BFOOHVODNHLIMY-DOTOQJQBSA-N 2 2 338.411 1.618 20 0 EDADLP Cc1cccn2c(C[NH2+][C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)c[nH+]c12 ZINC000608075601 449741720 /nfs/dbraw/zinc/74/17/20/449741720.db2.gz NOUGLVKHTJCJOR-CJNGLKHVSA-N 2 2 338.415 1.660 20 0 EDADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000594914045 449806358 /nfs/dbraw/zinc/80/63/58/449806358.db2.gz BWVOIFLIHHZSNG-NZSAHSFTSA-N 2 2 345.487 1.986 20 0 EDADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602799292 449818531 /nfs/dbraw/zinc/81/85/31/449818531.db2.gz NWBSUOZFJPFWCJ-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602799292 449818534 /nfs/dbraw/zinc/81/85/34/449818534.db2.gz NWBSUOZFJPFWCJ-INIZCTEOSA-N 2 2 325.497 1.676 20 0 EDADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000594959133 449821297 /nfs/dbraw/zinc/82/12/97/449821297.db2.gz UDJMNQGESYRVFD-DTZQCDIJSA-N 2 2 332.448 1.831 20 0 EDADLP CCn1c2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2[nH]c1=O ZINC000617763727 449821776 /nfs/dbraw/zinc/82/17/76/449821776.db2.gz YSJJOKWERNNAIO-UHFFFAOYSA-N 2 2 347.463 1.375 20 0 EDADLP CCn1c2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2[nH]c1=O ZINC000617763727 449821780 /nfs/dbraw/zinc/82/17/80/449821780.db2.gz YSJJOKWERNNAIO-UHFFFAOYSA-N 2 2 347.463 1.375 20 0 EDADLP CO[C@H](C)c1nc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000617765831 449827506 /nfs/dbraw/zinc/82/75/06/449827506.db2.gz RUDLKMJVGISCRO-CYBMUJFWSA-N 2 2 342.509 1.772 20 0 EDADLP CO[C@H](C)c1nc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617765831 449827511 /nfs/dbraw/zinc/82/75/11/449827511.db2.gz RUDLKMJVGISCRO-CYBMUJFWSA-N 2 2 342.509 1.772 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000617767935 449831477 /nfs/dbraw/zinc/83/14/77/449831477.db2.gz ITLVPJNXFZUDMW-HNNXBMFYSA-N 2 2 340.512 1.023 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000617767935 449831484 /nfs/dbraw/zinc/83/14/84/449831484.db2.gz ITLVPJNXFZUDMW-HNNXBMFYSA-N 2 2 340.512 1.023 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1-n1cccn1 ZINC000617767478 449831610 /nfs/dbraw/zinc/83/16/10/449831610.db2.gz XFZZEZSGGYPRLV-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1-n1cccn1 ZINC000617767478 449831616 /nfs/dbraw/zinc/83/16/16/449831616.db2.gz XFZZEZSGGYPRLV-UHFFFAOYSA-N 2 2 329.448 1.486 20 0 EDADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC1CC[NH+](CCO)CC1 ZINC000601274294 449792908 /nfs/dbraw/zinc/79/29/08/449792908.db2.gz BOFMMNKPCKIXSP-UHFFFAOYSA-N 2 2 343.431 1.128 20 0 EDADLP CSC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000602922328 449923071 /nfs/dbraw/zinc/92/30/71/449923071.db2.gz HRZKUSOWBRCHOP-HNNXBMFYSA-N 2 2 348.516 1.946 20 0 EDADLP Cc1cc(C)n([C@H](C)C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601478910 450000106 /nfs/dbraw/zinc/00/01/06/450000106.db2.gz PJWKJLUQYBRSRF-AEFFLSMTSA-N 2 2 347.507 1.688 20 0 EDADLP Cc1cc(C)n([C@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601478910 450000111 /nfs/dbraw/zinc/00/01/11/450000111.db2.gz PJWKJLUQYBRSRF-AEFFLSMTSA-N 2 2 347.507 1.688 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCOC[C@H]3[C@H]3CCC[N@H+]3C)[nH+]c12 ZINC000615265584 450028608 /nfs/dbraw/zinc/02/86/08/450028608.db2.gz PKQZMTVGIPXPRG-SJORKVTESA-N 2 2 342.443 1.507 20 0 EDADLP Cc1cccn2cc(CC(=O)N3CCOC[C@H]3[C@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000615265584 450028609 /nfs/dbraw/zinc/02/86/09/450028609.db2.gz PKQZMTVGIPXPRG-SJORKVTESA-N 2 2 342.443 1.507 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1CCOC ZINC000613159894 450057508 /nfs/dbraw/zinc/05/75/08/450057508.db2.gz CELSOFUGPKWWNZ-HUUCEWRRSA-N 2 2 334.464 1.474 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1CCOC ZINC000613159894 450057513 /nfs/dbraw/zinc/05/75/13/450057513.db2.gz CELSOFUGPKWWNZ-HUUCEWRRSA-N 2 2 334.464 1.474 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1CCOC ZINC000613159894 450057519 /nfs/dbraw/zinc/05/75/19/450057519.db2.gz CELSOFUGPKWWNZ-HUUCEWRRSA-N 2 2 334.464 1.474 20 0 EDADLP CCC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1CCOC ZINC000613159894 450057526 /nfs/dbraw/zinc/05/75/26/450057526.db2.gz CELSOFUGPKWWNZ-HUUCEWRRSA-N 2 2 334.464 1.474 20 0 EDADLP 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O=C(C[N@H+]1CCc2c(O)cccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000626026783 450556201 /nfs/dbraw/zinc/55/62/01/450556201.db2.gz YWPIYXYICQDPQE-UHFFFAOYSA-N 2 2 329.444 1.493 20 0 EDADLP O=C(C[N@@H+]1CCc2c(O)cccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000626026783 450556204 /nfs/dbraw/zinc/55/62/04/450556204.db2.gz YWPIYXYICQDPQE-UHFFFAOYSA-N 2 2 329.444 1.493 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)CC(C)C)C[C@H](C)[NH2+]1 ZINC000620897986 450556706 /nfs/dbraw/zinc/55/67/06/450556706.db2.gz JCOAZAHRLGBSDO-LZWOXQAQSA-N 2 2 349.479 1.082 20 0 EDADLP CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)CC(C)C)C[C@H](C)[NH2+]1 ZINC000620897986 450556709 /nfs/dbraw/zinc/55/67/09/450556709.db2.gz JCOAZAHRLGBSDO-LZWOXQAQSA-N 2 2 349.479 1.082 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H]3C[C@@H](C(N)=O)C3)c2cc1C ZINC000626037271 450558436 /nfs/dbraw/zinc/55/84/36/450558436.db2.gz GWPGGUZWENCZSP-ZNMIVQPWSA-N 2 2 330.432 1.210 20 0 EDADLP 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MVYICVFFODSNCX-IEBWSBKVSA-N 3 2 344.503 1.166 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635313107 450837133 /nfs/dbraw/zinc/83/71/33/450837133.db2.gz IQJICARZMRAYMN-VXGBXAGGSA-N 2 2 334.342 1.214 20 0 EDADLP C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1C[NH2+]CCO1 ZINC000631834718 450804466 /nfs/dbraw/zinc/80/44/66/450804466.db2.gz DMHKNRNHZMYEBJ-DZGCQCFKSA-N 2 2 349.258 1.653 20 0 EDADLP C[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)C[C@H]1C[NH2+]CCO1 ZINC000631834718 450804468 /nfs/dbraw/zinc/80/44/68/450804468.db2.gz DMHKNRNHZMYEBJ-DZGCQCFKSA-N 2 2 349.258 1.653 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887792 450848630 /nfs/dbraw/zinc/84/86/30/450848630.db2.gz QNELEXDTXQEKPK-MOPGFXCFSA-N 2 2 345.487 1.913 20 0 EDADLP CCOCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887792 450848635 /nfs/dbraw/zinc/84/86/35/450848635.db2.gz QNELEXDTXQEKPK-MOPGFXCFSA-N 2 2 345.487 1.913 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887621 450849329 /nfs/dbraw/zinc/84/93/29/450849329.db2.gz PKQAQYVYJHSVRX-NVXWUHKLSA-N 2 2 344.459 1.401 20 0 EDADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887621 450849334 /nfs/dbraw/zinc/84/93/34/450849334.db2.gz PKQAQYVYJHSVRX-NVXWUHKLSA-N 2 2 344.459 1.401 20 0 EDADLP O=C1N[C@H]2C[N@H+](Cc3cncc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000621776005 450863983 /nfs/dbraw/zinc/86/39/83/450863983.db2.gz AAXIYSJUIAYCKX-JKSUJKDBSA-N 2 2 349.866 1.455 20 0 EDADLP O=C1N[C@H]2C[N@@H+](Cc3cncc(Cl)c3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000621776005 450863986 /nfs/dbraw/zinc/86/39/86/450863986.db2.gz AAXIYSJUIAYCKX-JKSUJKDBSA-N 2 2 349.866 1.455 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000635382564 450894860 /nfs/dbraw/zinc/89/48/60/450894860.db2.gz KKCZVTQVCXPEHB-ZWKOTPCHSA-N 2 2 331.460 1.726 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000635382564 450894865 /nfs/dbraw/zinc/89/48/65/450894865.db2.gz KKCZVTQVCXPEHB-ZWKOTPCHSA-N 2 2 331.460 1.726 20 0 EDADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633524230 450895712 /nfs/dbraw/zinc/89/57/12/450895712.db2.gz VMKZQIQNEPTTTP-CQSZACIVSA-N 2 2 328.416 1.661 20 0 EDADLP C[N@@H+]1CCCC[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000624616514 450926052 /nfs/dbraw/zinc/92/60/52/450926052.db2.gz CSPMWHCSTLDQCR-MRXNPFEDSA-N 2 2 331.464 1.645 20 0 EDADLP C[N@H+]1CCCC[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000624616514 450926060 /nfs/dbraw/zinc/92/60/60/450926060.db2.gz CSPMWHCSTLDQCR-MRXNPFEDSA-N 2 2 331.464 1.645 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)N3CC[NH2+]C[C@@H]3C(C)C)ccc2n1C ZINC000626847175 450955075 /nfs/dbraw/zinc/95/50/75/450955075.db2.gz ZTVNGTVXHVYICF-MRXNPFEDSA-N 2 2 343.431 1.277 20 0 EDADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1OCC(=O)NCC1CC1)C2 ZINC000622003932 450982809 /nfs/dbraw/zinc/98/28/09/450982809.db2.gz HOSOYCUVOMFMIS-FXAWDEMLSA-N 2 2 343.471 1.905 20 0 EDADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1OCC(=O)NCC1CC1)C2 ZINC000622003932 450982818 /nfs/dbraw/zinc/98/28/18/450982818.db2.gz HOSOYCUVOMFMIS-FXAWDEMLSA-N 2 2 343.471 1.905 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NC[C@H](C)[NH+](C)C2CC2)cc1 ZINC000635492068 450987369 /nfs/dbraw/zinc/98/73/69/450987369.db2.gz SULOFTCYXMCHJI-KSSFIOAISA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NC[C@H](C)[NH+](C)C2CC2)cc1 ZINC000635492068 450987372 /nfs/dbraw/zinc/98/73/72/450987372.db2.gz SULOFTCYXMCHJI-KSSFIOAISA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000635492068 450987379 /nfs/dbraw/zinc/98/73/79/450987379.db2.gz SULOFTCYXMCHJI-KSSFIOAISA-N 2 2 331.460 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@H]2C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000635492068 450987382 /nfs/dbraw/zinc/98/73/82/450987382.db2.gz SULOFTCYXMCHJI-KSSFIOAISA-N 2 2 331.460 1.868 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCCOCCC[NH3+])c1ccc(F)cc1 ZINC000626927645 451010796 /nfs/dbraw/zinc/01/07/96/451010796.db2.gz WFFHZRPJKFMFTN-HNNXBMFYSA-N 2 2 349.410 1.313 20 0 EDADLP Cc1cn2ccc(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)cc2[nH+]1 ZINC000635561530 451059592 /nfs/dbraw/zinc/05/95/92/451059592.db2.gz RSMPFCQFRKWJGA-AWEZNQCLSA-N 2 2 329.448 1.256 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000635564505 451064014 /nfs/dbraw/zinc/06/40/14/451064014.db2.gz HMHFEKYUHYAHGZ-AEFFLSMTSA-N 2 2 331.460 1.680 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000635564505 451064018 /nfs/dbraw/zinc/06/40/18/451064018.db2.gz HMHFEKYUHYAHGZ-AEFFLSMTSA-N 2 2 331.460 1.680 20 0 EDADLP Cc1nnc(CCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000635615531 451107179 /nfs/dbraw/zinc/10/71/79/451107179.db2.gz NLEUTNDCHZNMDJ-UHFFFAOYSA-N 2 2 349.479 1.377 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)cc1 ZINC000635676757 451161091 /nfs/dbraw/zinc/16/10/91/451161091.db2.gz ODNVPQMTKNDWIF-GDIGMMSISA-N 2 2 343.471 1.868 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)cc1 ZINC000635676757 451161095 /nfs/dbraw/zinc/16/10/95/451161095.db2.gz ODNVPQMTKNDWIF-GDIGMMSISA-N 2 2 343.471 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000635676757 451161097 /nfs/dbraw/zinc/16/10/97/451161097.db2.gz ODNVPQMTKNDWIF-GDIGMMSISA-N 2 2 343.471 1.868 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000635676757 451161102 /nfs/dbraw/zinc/16/11/02/451161102.db2.gz ODNVPQMTKNDWIF-GDIGMMSISA-N 2 2 343.471 1.868 20 0 EDADLP CC1([NH+]2CCOCC2)CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000630394990 451165557 /nfs/dbraw/zinc/16/55/57/451165557.db2.gz OTRBLQKQPPKPAB-UHFFFAOYSA-N 2 2 335.452 1.170 20 0 EDADLP C[C@@H]1CC[C@H](NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)C[NH2+]1 ZINC000627195215 451180670 /nfs/dbraw/zinc/18/06/70/451180670.db2.gz AKSQTVFWZAGPTG-MNOVXSKESA-N 2 2 333.358 1.727 20 0 EDADLP C[C@]1(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCS1 ZINC000628210404 451182797 /nfs/dbraw/zinc/18/27/97/451182797.db2.gz VXWWZVIIPNPJHB-GOSISDBHSA-N 2 2 348.516 1.996 20 0 EDADLP C[N@H+]1CCN(C(=O)NCc2ccnc(-c3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000627225961 451196128 /nfs/dbraw/zinc/19/61/28/451196128.db2.gz CKUWNNLDNRGVSI-KRWDZBQOSA-N 2 2 339.443 1.533 20 0 EDADLP CN([C@@H](c1[nH]cc[nH+]1)c1ccccc1)S(=O)(=O)CCC[NH+](C)C ZINC000632365313 451227413 /nfs/dbraw/zinc/22/74/13/451227413.db2.gz SQUBUPITWBMCIC-OAHLLOKOSA-N 2 2 336.461 1.712 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(C)CCC(=O)CC3)c2)CC1 ZINC000634193467 451229154 /nfs/dbraw/zinc/22/91/54/451229154.db2.gz ITZXIRQLWJNSGK-UHFFFAOYSA-N 2 2 330.432 1.921 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCc3cnccn3)c2)CC1 ZINC000634193505 451229331 /nfs/dbraw/zinc/22/93/31/451229331.db2.gz KJPACYYYTPUKTG-UHFFFAOYSA-N 2 2 326.404 1.195 20 0 EDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COc3ccc(F)cc3)c2)CC1 ZINC000634198286 451235108 /nfs/dbraw/zinc/23/51/08/451235108.db2.gz QEIWRJPKBHCQDC-UHFFFAOYSA-N 2 2 344.390 1.990 20 0 EDADLP CCc1c[nH]c(CC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[nH+]1 ZINC000635795603 451245158 /nfs/dbraw/zinc/24/51/58/451245158.db2.gz SBUKHNXQBNANNR-UHFFFAOYSA-N 2 2 347.507 1.391 20 0 EDADLP C[C@H](c1ccc(NC(=O)c2cnc(C[NH3+])nc2)cc1)[NH+]1CCOCC1 ZINC000638100196 451265452 /nfs/dbraw/zinc/26/54/52/451265452.db2.gz KQSODGLGTVLMPX-CYBMUJFWSA-N 2 2 341.415 1.581 20 0 EDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+](C)CCc2ccccc2)[C@@H](C)C1 ZINC000635818711 451267063 /nfs/dbraw/zinc/26/70/63/451267063.db2.gz KXNHTKQJAYZGFY-DLBZAZTESA-N 2 2 333.476 1.074 20 0 EDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+](C)CCc2ccccc2)[C@@H](C)C1 ZINC000635818711 451267065 /nfs/dbraw/zinc/26/70/65/451267065.db2.gz KXNHTKQJAYZGFY-DLBZAZTESA-N 2 2 333.476 1.074 20 0 EDADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)[C@@H](C)C1 ZINC000635818711 451267066 /nfs/dbraw/zinc/26/70/66/451267066.db2.gz KXNHTKQJAYZGFY-DLBZAZTESA-N 2 2 333.476 1.074 20 0 EDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@]3(C)C[NH2+]CCO3)CC2)c1 ZINC000638104136 451270542 /nfs/dbraw/zinc/27/05/42/451270542.db2.gz XJPJMZYRJYWUHS-KXBFYZLASA-N 2 2 347.459 1.279 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)n1cc[nH+]c1 ZINC000635829945 451277804 /nfs/dbraw/zinc/27/78/04/451277804.db2.gz LESALRJYPMYYHV-CVEARBPZSA-N 2 2 336.480 1.774 20 0 EDADLP CC(C)C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)n1cc[nH+]c1 ZINC000635829945 451277809 /nfs/dbraw/zinc/27/78/09/451277809.db2.gz LESALRJYPMYYHV-CVEARBPZSA-N 2 2 336.480 1.774 20 0 EDADLP O=c1c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cccn1C(F)F ZINC000638119146 451288119 /nfs/dbraw/zinc/28/81/19/451288119.db2.gz KDMSJYJVDXVPMG-CYBMUJFWSA-N 2 2 327.375 1.398 20 0 EDADLP O=c1c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cccn1C(F)F ZINC000638119146 451288125 /nfs/dbraw/zinc/28/81/25/451288125.db2.gz KDMSJYJVDXVPMG-CYBMUJFWSA-N 2 2 327.375 1.398 20 0 EDADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1C[C@H]([NH+]3CCOCC3)C1(C)C)C2 ZINC000640512483 451362760 /nfs/dbraw/zinc/36/27/60/451362760.db2.gz BRKHVGHXORJNFG-XIRDDKMYSA-N 2 2 346.475 1.369 20 0 EDADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638232450 451371581 /nfs/dbraw/zinc/37/15/81/451371581.db2.gz BKVASORPNCTCIN-GXTWGEPZSA-N 2 2 330.354 1.979 20 0 EDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)C[C@H]1CCC1(F)F ZINC000632548171 451389933 /nfs/dbraw/zinc/38/99/33/451389933.db2.gz GBAQFTKSYMHXTD-QWHCGFSZSA-N 2 2 341.468 1.223 20 0 EDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)C[C@H]1CCC1(F)F ZINC000632548171 451389937 /nfs/dbraw/zinc/38/99/37/451389937.db2.gz GBAQFTKSYMHXTD-QWHCGFSZSA-N 2 2 341.468 1.223 20 0 EDADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000634510141 451376498 /nfs/dbraw/zinc/37/64/98/451376498.db2.gz OSHRPDSEEYQKON-HNNXBMFYSA-N 2 2 333.480 1.330 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC000635906820 451349405 /nfs/dbraw/zinc/34/94/05/451349405.db2.gz MZIFQZPNSWCPSX-UHFFFAOYSA-N 2 2 346.479 1.623 20 0 EDADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[N@@H+](C)CC(C)(C)C)cn1 ZINC000635906820 451349408 /nfs/dbraw/zinc/34/94/08/451349408.db2.gz MZIFQZPNSWCPSX-UHFFFAOYSA-N 2 2 346.479 1.623 20 0 EDADLP [NH3+]C[C@]1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCCOC1 ZINC000638274962 451393996 /nfs/dbraw/zinc/39/39/96/451393996.db2.gz RBRJLYQYKWQTIK-GOSISDBHSA-N 2 2 335.423 1.225 20 0 EDADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638298760 451413774 /nfs/dbraw/zinc/41/37/74/451413774.db2.gz GDXFJMNAJLJKMD-SFHVURJKSA-N 2 2 343.475 1.499 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640618624 451466494 /nfs/dbraw/zinc/46/64/94/451466494.db2.gz MENMSRNCHZJQIH-KGLIPLIRSA-N 2 2 335.452 1.374 20 0 EDADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640618624 451466501 /nfs/dbraw/zinc/46/65/01/451466501.db2.gz MENMSRNCHZJQIH-KGLIPLIRSA-N 2 2 335.452 1.374 20 0 EDADLP O=C(C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000634701290 451475520 /nfs/dbraw/zinc/47/55/20/451475520.db2.gz NBTSIQBFXSVWLK-HXUWFJFHSA-N 2 2 339.439 1.852 20 0 EDADLP O=C(C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1 ZINC000634701290 451475527 /nfs/dbraw/zinc/47/55/27/451475527.db2.gz NBTSIQBFXSVWLK-HXUWFJFHSA-N 2 2 339.439 1.852 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000634714950 451494953 /nfs/dbraw/zinc/49/49/53/451494953.db2.gz UUNUJSKDUQXIPR-NZSAHSFTSA-N 2 2 348.487 1.532 20 0 EDADLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000634714950 451494958 /nfs/dbraw/zinc/49/49/58/451494958.db2.gz UUNUJSKDUQXIPR-NZSAHSFTSA-N 2 2 348.487 1.532 20 0 EDADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cc[nH+]c(N(C)C)c2)C[C@H](C)O1 ZINC000640601676 451447642 /nfs/dbraw/zinc/44/76/42/451447642.db2.gz LVRXBQCERVLBAB-OKILXGFUSA-N 2 2 335.452 1.721 20 0 EDADLP C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cc[nH+]c(N(C)C)c2)C[C@H](C)O1 ZINC000640601676 451447646 /nfs/dbraw/zinc/44/76/46/451447646.db2.gz LVRXBQCERVLBAB-OKILXGFUSA-N 2 2 335.452 1.721 20 0 EDADLP OCCN1CCCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721008 451501474 /nfs/dbraw/zinc/50/14/74/451501474.db2.gz SJZPVOJYPKUVHB-UXHICEINSA-N 2 2 347.503 1.060 20 0 EDADLP OCCN1CCCC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721008 451501475 /nfs/dbraw/zinc/50/14/75/451501475.db2.gz SJZPVOJYPKUVHB-UXHICEINSA-N 2 2 347.503 1.060 20 0 EDADLP O=C1[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1C1CCC1 ZINC000634723254 451504586 /nfs/dbraw/zinc/50/45/86/451504586.db2.gz GYQHHPMXQQVKLE-QUCCMNQESA-N 2 2 343.471 1.366 20 0 EDADLP CC(C)CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000636791164 451512605 /nfs/dbraw/zinc/51/26/05/451512605.db2.gz DGYCOYKVOKZQOL-JKSUJKDBSA-N 2 2 340.512 1.251 20 0 EDADLP CC(C)CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000636791164 451512608 /nfs/dbraw/zinc/51/26/08/451512608.db2.gz DGYCOYKVOKZQOL-JKSUJKDBSA-N 2 2 340.512 1.251 20 0 EDADLP Cn1cc(CCC[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000638459526 451525835 /nfs/dbraw/zinc/52/58/35/451525835.db2.gz CLIQBIIVCZZQTQ-UHFFFAOYSA-N 3 2 342.491 1.550 20 0 EDADLP Cc1cn(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)[nH+]1 ZINC000631012855 451535337 /nfs/dbraw/zinc/53/53/37/451535337.db2.gz ANMNRGXUXUDAEX-UHFFFAOYSA-N 2 2 328.416 1.971 20 0 EDADLP C[C@H](CNC(=O)C[N@H+](C)CCc1ccccc1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636139962 451541461 /nfs/dbraw/zinc/54/14/61/451541461.db2.gz RNHICXCOTLKBIZ-KURKYZTESA-N 2 2 347.503 1.775 20 0 EDADLP C[C@H](CNC(=O)C[N@@H+](C)CCc1ccccc1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636139962 451541466 /nfs/dbraw/zinc/54/14/66/451541466.db2.gz RNHICXCOTLKBIZ-KURKYZTESA-N 2 2 347.503 1.775 20 0 EDADLP C[C@H](CNC(=O)C[NH+](C)CCc1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636139962 451541472 /nfs/dbraw/zinc/54/14/72/451541472.db2.gz RNHICXCOTLKBIZ-KURKYZTESA-N 2 2 347.503 1.775 20 0 EDADLP C[C@H](CNC(=O)C[NH+](C)CCc1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636139962 451541473 /nfs/dbraw/zinc/54/14/73/451541473.db2.gz RNHICXCOTLKBIZ-KURKYZTESA-N 2 2 347.503 1.775 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636167834 451559859 /nfs/dbraw/zinc/55/98/59/451559859.db2.gz HLDZWMCYMWDJQG-UHFFFAOYSA-N 2 2 342.403 1.299 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636167834 451559863 /nfs/dbraw/zinc/55/98/63/451559863.db2.gz HLDZWMCYMWDJQG-UHFFFAOYSA-N 2 2 342.403 1.299 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@@H]4C[NH2+]CC[C@@H]43)nc[nH+]2)C1 ZINC000634813041 451566458 /nfs/dbraw/zinc/56/64/58/451566458.db2.gz XMQRJHDMCVMCOH-OAGGEKHMSA-N 2 2 331.464 1.264 20 0 EDADLP OC[C@@H]1CCCN(c2cc(N3CCC[C@@H]4C[NH2+]CC[C@@H]43)[nH+]cn2)C1 ZINC000634813041 451566463 /nfs/dbraw/zinc/56/64/63/451566463.db2.gz XMQRJHDMCVMCOH-OAGGEKHMSA-N 2 2 331.464 1.264 20 0 EDADLP COc1ccccc1N1CCC([NH2+]C[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000631068797 451566596 /nfs/dbraw/zinc/56/65/96/451566596.db2.gz HYUVYCGTQWHVNG-KRWDZBQOSA-N 2 2 332.492 1.499 20 0 EDADLP COc1ccccc1N1CCC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000631068797 451566599 /nfs/dbraw/zinc/56/65/99/451566599.db2.gz HYUVYCGTQWHVNG-KRWDZBQOSA-N 2 2 332.492 1.499 20 0 EDADLP Cc1cnc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000638585571 451590357 /nfs/dbraw/zinc/59/03/57/451590357.db2.gz BNTZEBUMRDKRJX-KRWDZBQOSA-N 2 2 342.443 1.970 20 0 EDADLP Cc1cnc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000638585571 451590362 /nfs/dbraw/zinc/59/03/62/451590362.db2.gz BNTZEBUMRDKRJX-KRWDZBQOSA-N 2 2 342.443 1.970 20 0 EDADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000638605403 451603024 /nfs/dbraw/zinc/60/30/24/451603024.db2.gz MEOVKYHCHTWFIX-CQSZACIVSA-N 2 2 331.526 1.701 20 0 EDADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1 ZINC000638605403 451603025 /nfs/dbraw/zinc/60/30/25/451603025.db2.gz MEOVKYHCHTWFIX-CQSZACIVSA-N 2 2 331.526 1.701 20 0 EDADLP CC(C)CC[C@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636988062 451663863 /nfs/dbraw/zinc/66/38/63/451663863.db2.gz TYMDDAOBIFWDHX-OAHLLOKOSA-N 2 2 328.501 1.109 20 0 EDADLP C[NH+]1CCN(c2ccc(N[C@H]3CCCS(=O)(=O)CC3)[nH+]c2)CC1 ZINC000634954533 451621515 /nfs/dbraw/zinc/62/15/15/451621515.db2.gz HPKFHSCHAIOYGH-AWEZNQCLSA-N 2 2 338.477 1.213 20 0 EDADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)CC1 ZINC000638636969 451624645 /nfs/dbraw/zinc/62/46/45/451624645.db2.gz KHRPSCWTIQTOAF-HUUCEWRRSA-N 2 2 325.497 1.913 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2nc3cc(F)ccc3o2)C1 ZINC000634959887 451624951 /nfs/dbraw/zinc/62/49/51/451624951.db2.gz DOHPJQIXXQAPMB-LBPRGKRZSA-N 2 2 334.395 1.644 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2nc3cc(F)ccc3o2)C1 ZINC000634959887 451624955 /nfs/dbraw/zinc/62/49/55/451624955.db2.gz DOHPJQIXXQAPMB-LBPRGKRZSA-N 2 2 334.395 1.644 20 0 EDADLP CC(C)(O)C[NH+]1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000638669931 451642034 /nfs/dbraw/zinc/64/20/34/451642034.db2.gz YDZZGHVYCDSHKE-INIZCTEOSA-N 3 2 339.524 1.312 20 0 EDADLP [NH3+][C@H](CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000638879255 451717442 /nfs/dbraw/zinc/71/74/42/451717442.db2.gz GAVVVUPLQSACJP-MJGOQNOKSA-N 2 2 345.487 1.706 20 0 EDADLP [NH3+][C@H](CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000638879255 451717446 /nfs/dbraw/zinc/71/74/46/451717446.db2.gz GAVVVUPLQSACJP-MJGOQNOKSA-N 2 2 345.487 1.706 20 0 EDADLP COc1cc[nH+]c(Cn2cc([C@@H]([NH3+])C3CCOCC3)nn2)c1OC ZINC000640941736 451698753 /nfs/dbraw/zinc/69/87/53/451698753.db2.gz CPKTYRVEPJGRFY-HNNXBMFYSA-N 2 2 333.392 1.165 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638730685 451668605 /nfs/dbraw/zinc/66/86/05/451668605.db2.gz COXDWLHPZSLYAK-SFHVURJKSA-N 2 2 346.475 1.178 20 0 EDADLP O=C(CCC1CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638730685 451668610 /nfs/dbraw/zinc/66/86/10/451668610.db2.gz COXDWLHPZSLYAK-SFHVURJKSA-N 2 2 346.475 1.178 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)[C@H](C)[NH3+] ZINC000638731959 451669863 /nfs/dbraw/zinc/66/98/63/451669863.db2.gz SJYNKBUUEMCSNT-XIRDDKMYSA-N 2 2 334.464 1.018 20 0 EDADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)[C@H](C)[NH3+] ZINC000638731959 451669864 /nfs/dbraw/zinc/66/98/64/451669864.db2.gz SJYNKBUUEMCSNT-XIRDDKMYSA-N 2 2 334.464 1.018 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1cccc(F)c1 ZINC000636472439 451725460 /nfs/dbraw/zinc/72/54/60/451725460.db2.gz CDULLYXCDWCNEP-ZBFHGGJFSA-N 2 2 331.395 1.549 20 0 EDADLP CCc1ccc([C@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)[NH+](C)C)cc1 ZINC000636474358 451726875 /nfs/dbraw/zinc/72/68/75/451726875.db2.gz UGSGOHRLZGWOGB-WMZOPIPTSA-N 2 2 341.459 1.972 20 0 EDADLP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636494775 451736391 /nfs/dbraw/zinc/73/63/91/451736391.db2.gz UAFWJQJJYJMCGS-QGZVFWFLSA-N 2 2 339.443 1.903 20 0 EDADLP COc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(F)c1 ZINC000638986792 451747003 /nfs/dbraw/zinc/74/70/03/451747003.db2.gz BTYWDNBPIQEMNT-UHFFFAOYSA-N 2 2 330.363 1.891 20 0 EDADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CCCc2[nH]ncc21 ZINC000638986468 451747447 /nfs/dbraw/zinc/74/74/47/451747447.db2.gz PIVAUUQEQKYNBZ-CYBMUJFWSA-N 2 2 326.404 1.273 20 0 EDADLP C[C@H](CC(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000639003333 451751196 /nfs/dbraw/zinc/75/11/96/451751196.db2.gz GRPUKVCIDAGTEQ-IAGOWNOFSA-N 2 2 345.491 1.189 20 0 EDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639058484 451759675 /nfs/dbraw/zinc/75/96/75/451759675.db2.gz NZRACHBHXGZCKS-ROUUACIJSA-N 2 2 347.503 1.922 20 0 EDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000639058484 451759676 /nfs/dbraw/zinc/75/96/76/451759676.db2.gz NZRACHBHXGZCKS-ROUUACIJSA-N 2 2 347.503 1.922 20 0 EDADLP Cc1[nH+]ccn1CCCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641150613 451762960 /nfs/dbraw/zinc/76/29/60/451762960.db2.gz NNLPEXYSLXQXMZ-UHFFFAOYSA-N 3 2 331.468 1.229 20 0 EDADLP CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H]1CCNC1=O ZINC000639135684 451774678 /nfs/dbraw/zinc/77/46/78/451774678.db2.gz HHDKKYQZTYTVIT-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)[C@H]1CCNC1=O ZINC000639135684 451774681 /nfs/dbraw/zinc/77/46/81/451774681.db2.gz HHDKKYQZTYTVIT-SFHVURJKSA-N 2 2 347.459 1.108 20 0 EDADLP COc1ncc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000639169748 451783906 /nfs/dbraw/zinc/78/39/06/451783906.db2.gz NUDJCCNUUWLDDF-UHFFFAOYSA-N 2 2 338.477 1.138 20 0 EDADLP CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641251290 451793916 /nfs/dbraw/zinc/79/39/16/451793916.db2.gz OMZNPFAFROKHLR-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641251290 451793917 /nfs/dbraw/zinc/79/39/17/451793917.db2.gz OMZNPFAFROKHLR-UHFFFAOYSA-N 2 2 337.489 1.389 20 0 EDADLP COc1cc2c(cc1OC)[C@H]([N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)CC2 ZINC000639287490 451807755 /nfs/dbraw/zinc/80/77/55/451807755.db2.gz DBHRNFQTRGDHGP-MRXNPFEDSA-N 2 2 347.459 1.397 20 0 EDADLP COc1cc2c(cc1OC)[C@H]([N@H+]1CCN(CC[NH+](C)C)C(=O)C1)CC2 ZINC000639287490 451807761 /nfs/dbraw/zinc/80/77/61/451807761.db2.gz DBHRNFQTRGDHGP-MRXNPFEDSA-N 2 2 347.459 1.397 20 0 EDADLP C[C@H]([NH2+]C(C)(C)CNC[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000644545639 451854319 /nfs/dbraw/zinc/85/43/19/451854319.db2.gz ANJVXOWMRWSVBU-FUHWJXTLSA-N 2 2 335.492 1.399 20 0 EDADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CN1CCOCC1)c1ccccc1 ZINC000644545639 451854324 /nfs/dbraw/zinc/85/43/24/451854324.db2.gz ANJVXOWMRWSVBU-FUHWJXTLSA-N 2 2 335.492 1.399 20 0 EDADLP c1cc(CN2CC[NH+](CCc3cnccn3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000639391962 451862232 /nfs/dbraw/zinc/86/22/32/451862232.db2.gz NIVDWICEWSOQCA-UHFFFAOYSA-N 2 2 349.442 1.418 20 0 EDADLP CN(C)c1[nH+]cc(CNC[C@@H](O)C[N@H+](C)Cc2ccccc2)n1C ZINC000644562414 451863721 /nfs/dbraw/zinc/86/37/21/451863721.db2.gz POHXDYHVILAOCD-QGZVFWFLSA-N 2 2 331.464 1.069 20 0 EDADLP CN(C)c1[nH+]cc(CNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)n1C ZINC000644562414 451863724 /nfs/dbraw/zinc/86/37/24/451863724.db2.gz POHXDYHVILAOCD-QGZVFWFLSA-N 2 2 331.464 1.069 20 0 EDADLP C[NH+](C)CCNC(=O)c1cccc(CNc2cc(CO)cc[nH+]2)c1 ZINC000641340677 451865285 /nfs/dbraw/zinc/86/52/85/451865285.db2.gz WAGCNAFDPSQEHN-UHFFFAOYSA-N 2 2 328.416 1.477 20 0 EDADLP c1ccc(C(C[NH+]2C[C@H]3C[NH2+]C[C@H]3C2)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457489 451878098 /nfs/dbraw/zinc/87/80/98/451878098.db2.gz UBJRSQYOANKRPE-FGYAAKKASA-N 4 2 340.515 1.073 20 0 EDADLP c1ccc(C(C[NH+]2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457489 451878099 /nfs/dbraw/zinc/87/80/99/451878099.db2.gz UBJRSQYOANKRPE-FGYAAKKASA-N 4 2 340.515 1.073 20 0 EDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639482099 451892924 /nfs/dbraw/zinc/89/29/24/451892924.db2.gz HMMGDXPQBAHVPC-ZWKOTPCHSA-N 2 2 334.508 1.242 20 0 EDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639482099 451892929 /nfs/dbraw/zinc/89/29/29/451892929.db2.gz HMMGDXPQBAHVPC-ZWKOTPCHSA-N 2 2 334.508 1.242 20 0 EDADLP O[C@H](CNc1[nH+]cnc2[nH]c3ccccc3c21)C[NH+]1CCOCC1 ZINC000649226495 451918418 /nfs/dbraw/zinc/91/84/18/451918418.db2.gz SINHGWHKRNYDKZ-GFCCVEGCSA-N 2 2 327.388 1.216 20 0 EDADLP C[C@@H]1C[NH+](C[C@@H](O)CNc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC000644691027 451939594 /nfs/dbraw/zinc/93/95/94/451939594.db2.gz JGOPUMBSHHDRGE-RKVPGOIHSA-N 2 2 330.432 1.754 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccccc3C[NH+]3CCOCC3)[C@H]2C1 ZINC000646933676 451947982 /nfs/dbraw/zinc/94/79/82/451947982.db2.gz HQTRJTRABGIKPO-AEFFLSMTSA-N 2 2 329.444 1.295 20 0 EDADLP C[N@H+]1C[C@H]2CCN(C(=O)c3ccccc3C[NH+]3CCOCC3)[C@H]2C1 ZINC000646933676 451947988 /nfs/dbraw/zinc/94/79/88/451947988.db2.gz HQTRJTRABGIKPO-AEFFLSMTSA-N 2 2 329.444 1.295 20 0 EDADLP C[N@@H+]1C[C@H]2CCN(CC(=O)N3CC[NH+](Cc4ccsc4)CC3)[C@@H]2C1 ZINC000644731491 451957538 /nfs/dbraw/zinc/95/75/38/451957538.db2.gz BQQBDZSJBFEXFQ-IAGOWNOFSA-N 2 2 348.516 1.028 20 0 EDADLP C[N@H+]1C[C@H]2CCN(CC(=O)N3CC[NH+](Cc4ccsc4)CC3)[C@@H]2C1 ZINC000644731491 451957544 /nfs/dbraw/zinc/95/75/44/451957544.db2.gz BQQBDZSJBFEXFQ-IAGOWNOFSA-N 2 2 348.516 1.028 20 0 EDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccn2)[C@@H](C)C1 ZINC000639588601 451958587 /nfs/dbraw/zinc/95/85/87/451958587.db2.gz DQKNDMGOOCLQJN-JKSUJKDBSA-N 2 2 334.464 1.747 20 0 EDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccn2)[C@@H](C)C1 ZINC000639588601 451958594 /nfs/dbraw/zinc/95/85/94/451958594.db2.gz DQKNDMGOOCLQJN-JKSUJKDBSA-N 2 2 334.464 1.747 20 0 EDADLP COC[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000649279606 451951225 /nfs/dbraw/zinc/95/12/25/451951225.db2.gz BXZYNOSRBGVVCD-LJQANCHMSA-N 2 2 331.460 1.408 20 0 EDADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649306575 451983604 /nfs/dbraw/zinc/98/36/04/451983604.db2.gz YVCAXBBBCDAKBJ-HNNXBMFYSA-N 2 2 339.386 1.702 20 0 EDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cnnn2-c2ccccc2)C[C@@H](C)O1 ZINC000651670738 452004999 /nfs/dbraw/zinc/00/49/99/452004999.db2.gz UTMKRFILRXNLOK-HZPDHXFCSA-N 2 2 329.448 1.856 20 0 EDADLP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc(N2CCCC2=O)cc1 ZINC000643060377 452029219 /nfs/dbraw/zinc/02/92/19/452029219.db2.gz JFSAMSYGQCWTNV-PBHICJAKSA-N 2 2 342.443 1.436 20 0 EDADLP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1ccc(N2CCCC2=O)cc1 ZINC000643060377 452029228 /nfs/dbraw/zinc/02/92/28/452029228.db2.gz JFSAMSYGQCWTNV-PBHICJAKSA-N 2 2 342.443 1.436 20 0 EDADLP C[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649351058 452034783 /nfs/dbraw/zinc/03/47/83/452034783.db2.gz HQLGOTDEUZFTQJ-MRXNPFEDSA-N 2 2 338.883 1.484 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4OCC[NH2+][C@@H]4C3)CC2)[nH+]c1 ZINC000649361297 452041704 /nfs/dbraw/zinc/04/17/04/452041704.db2.gz KAYFOIYWTNYHAF-SJORKVTESA-N 2 2 344.459 1.196 20 0 EDADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000653682032 452075429 /nfs/dbraw/zinc/07/54/29/452075429.db2.gz RRKVGYGAOKNMHK-IKGGRYGDSA-N 2 2 325.884 1.987 20 0 EDADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000653682032 452075434 /nfs/dbraw/zinc/07/54/34/452075434.db2.gz RRKVGYGAOKNMHK-IKGGRYGDSA-N 2 2 325.884 1.987 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000653682032 452075444 /nfs/dbraw/zinc/07/54/44/452075444.db2.gz RRKVGYGAOKNMHK-IKGGRYGDSA-N 2 2 325.884 1.987 20 0 EDADLP CC[NH+](C)C[C@H](O)CN[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000653682032 452075449 /nfs/dbraw/zinc/07/54/49/452075449.db2.gz RRKVGYGAOKNMHK-IKGGRYGDSA-N 2 2 325.884 1.987 20 0 EDADLP CC[NH+](C)C[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000653682032 452075450 /nfs/dbraw/zinc/07/54/50/452075450.db2.gz RRKVGYGAOKNMHK-IKGGRYGDSA-N 2 2 325.884 1.987 20 0 EDADLP Cc1nc(CN2CCC[C@@H]([N@H+](C)Cc3nc(C(C)(C)[NH3+])no3)C2)no1 ZINC000649412899 452076721 /nfs/dbraw/zinc/07/67/21/452076721.db2.gz CTOGSMDRECGANY-GFCCVEGCSA-N 2 2 349.439 1.051 20 0 EDADLP Cc1nc(CN2CCC[C@@H]([N@@H+](C)Cc3nc(C(C)(C)[NH3+])no3)C2)no1 ZINC000649412899 452076729 /nfs/dbraw/zinc/07/67/29/452076729.db2.gz CTOGSMDRECGANY-GFCCVEGCSA-N 2 2 349.439 1.051 20 0 EDADLP OCC(F)(F)CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000639738443 452082889 /nfs/dbraw/zinc/08/28/89/452082889.db2.gz UDXMWCDCDGJYGP-UHFFFAOYSA-N 2 2 336.386 1.618 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000639761034 452100104 /nfs/dbraw/zinc/10/01/04/452100104.db2.gz FDOFPKBAVPJDGD-FQEVSTJZSA-N 2 2 345.487 1.566 20 0 EDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000639761034 452100108 /nfs/dbraw/zinc/10/01/08/452100108.db2.gz FDOFPKBAVPJDGD-FQEVSTJZSA-N 2 2 345.487 1.566 20 0 EDADLP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639763033 452102340 /nfs/dbraw/zinc/10/23/40/452102340.db2.gz BZMWPYBBALPNNC-FQEVSTJZSA-N 2 2 347.503 1.596 20 0 EDADLP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000639763033 452102344 /nfs/dbraw/zinc/10/23/44/452102344.db2.gz BZMWPYBBALPNNC-FQEVSTJZSA-N 2 2 347.503 1.596 20 0 EDADLP C[NH+](C)C[C@]1(O)CCCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000639766332 452108268 /nfs/dbraw/zinc/10/82/68/452108268.db2.gz MJBXWFZALWPYEL-LJQANCHMSA-N 2 2 328.460 1.820 20 0 EDADLP COCCC[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647178515 452108623 /nfs/dbraw/zinc/10/86/23/452108623.db2.gz WQNLDLIZYZYJJN-UHFFFAOYSA-N 2 2 329.448 1.858 20 0 EDADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1OC(F)(F)F ZINC000637863974 452120683 /nfs/dbraw/zinc/12/06/83/452120683.db2.gz JZHHJXWXDAKNKR-LBPRGKRZSA-N 2 2 331.338 1.609 20 0 EDADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1OC(F)(F)F ZINC000637863974 452120687 /nfs/dbraw/zinc/12/06/87/452120687.db2.gz JZHHJXWXDAKNKR-LBPRGKRZSA-N 2 2 331.338 1.609 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000639776421 452121368 /nfs/dbraw/zinc/12/13/68/452121368.db2.gz ALPOEEDMHPVMTI-ROUUACIJSA-N 2 2 341.459 1.966 20 0 EDADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000639776421 452121373 /nfs/dbraw/zinc/12/13/73/452121373.db2.gz ALPOEEDMHPVMTI-ROUUACIJSA-N 2 2 341.459 1.966 20 0 EDADLP CCc1c(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cnn1C ZINC000643362511 452150784 /nfs/dbraw/zinc/15/07/84/452150784.db2.gz USZIAKZBZCXHEY-UHFFFAOYSA-N 2 2 347.507 1.615 20 0 EDADLP CCc1c(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cnn1C ZINC000643362511 452150791 /nfs/dbraw/zinc/15/07/91/452150791.db2.gz USZIAKZBZCXHEY-UHFFFAOYSA-N 2 2 347.507 1.615 20 0 EDADLP CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000651912195 452161815 /nfs/dbraw/zinc/16/18/15/452161815.db2.gz OWIMFYOLOYPXBB-MRXNPFEDSA-N 2 2 333.480 1.618 20 0 EDADLP CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000651912195 452161824 /nfs/dbraw/zinc/16/18/24/452161824.db2.gz OWIMFYOLOYPXBB-MRXNPFEDSA-N 2 2 333.480 1.618 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000651996013 452210986 /nfs/dbraw/zinc/21/09/86/452210986.db2.gz XAQWJUBHTZALQC-INIZCTEOSA-N 2 2 346.475 1.333 20 0 EDADLP Cc1cc(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n[nH]1 ZINC000637988195 452231491 /nfs/dbraw/zinc/23/14/91/452231491.db2.gz UVMBTLOXLZLAOE-UHFFFAOYSA-N 2 2 341.459 1.718 20 0 EDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000641748957 452235093 /nfs/dbraw/zinc/23/50/93/452235093.db2.gz QTRPTRUNMCUILO-GASCZTMLSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000641748957 452235101 /nfs/dbraw/zinc/23/51/01/452235101.db2.gz QTRPTRUNMCUILO-GASCZTMLSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000641748957 452235106 /nfs/dbraw/zinc/23/51/06/452235106.db2.gz QTRPTRUNMCUILO-GASCZTMLSA-N 2 2 340.512 1.610 20 0 EDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000641748957 452235111 /nfs/dbraw/zinc/23/51/11/452235111.db2.gz QTRPTRUNMCUILO-GASCZTMLSA-N 2 2 340.512 1.610 20 0 EDADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000641764127 452240986 /nfs/dbraw/zinc/24/09/86/452240986.db2.gz BSZFZDCQNNGKQX-UHFFFAOYSA-N 2 2 336.476 1.774 20 0 EDADLP CC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000641785560 452256454 /nfs/dbraw/zinc/25/64/54/452256454.db2.gz BZMHYAQUFIMOPM-OALUTQOASA-N 2 2 339.524 1.578 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000641787800 452264308 /nfs/dbraw/zinc/26/43/08/452264308.db2.gz PXSJGQUOHPDXDV-IEBWSBKVSA-N 3 2 338.540 1.103 20 0 EDADLP Clc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)o1 ZINC000641789310 452267722 /nfs/dbraw/zinc/26/77/22/452267722.db2.gz AOZJBKBPTTUONJ-AWEZNQCLSA-N 2 2 327.856 1.819 20 0 EDADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000641802639 452277505 /nfs/dbraw/zinc/27/75/05/452277505.db2.gz AENBEWYXSKPMOV-VXGBXAGGSA-N 2 2 340.353 1.897 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[C@H]1F ZINC000659443434 452291325 /nfs/dbraw/zinc/29/13/25/452291325.db2.gz SAGXYDUSBYAEJB-TZMCWYRMSA-N 2 2 335.358 1.592 20 0 EDADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000643526206 452294616 /nfs/dbraw/zinc/29/46/16/452294616.db2.gz UKRMTAQYPSYYHF-OLZOCXBDSA-N 2 2 337.445 1.756 20 0 EDADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000641819013 452299379 /nfs/dbraw/zinc/29/93/79/452299379.db2.gz FVOGOESHYGEGJH-INIZCTEOSA-N 2 2 336.480 1.121 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000661507825 452311373 /nfs/dbraw/zinc/31/13/73/452311373.db2.gz LPTMMYIYZGRLHL-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000661507825 452311376 /nfs/dbraw/zinc/31/13/76/452311376.db2.gz LPTMMYIYZGRLHL-KRWDZBQOSA-N 2 2 345.491 1.782 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000638049803 452320808 /nfs/dbraw/zinc/32/08/08/452320808.db2.gz NYLXORWEXDFJNO-ZWKOTPCHSA-N 2 2 333.476 1.767 20 0 EDADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000638049803 452320816 /nfs/dbraw/zinc/32/08/16/452320816.db2.gz NYLXORWEXDFJNO-ZWKOTPCHSA-N 2 2 333.476 1.767 20 0 EDADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000638052039 452326970 /nfs/dbraw/zinc/32/69/70/452326970.db2.gz VPXHPPDNENFUBL-MJGOQNOKSA-N 2 2 331.460 1.406 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659476170 452334628 /nfs/dbraw/zinc/33/46/28/452334628.db2.gz SZGFBEWJWPLSRK-LKTVYLICSA-N 2 2 326.391 1.617 20 0 EDADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659476170 452334635 /nfs/dbraw/zinc/33/46/35/452334635.db2.gz SZGFBEWJWPLSRK-LKTVYLICSA-N 2 2 326.391 1.617 20 0 EDADLP CCOc1ccc(C[NH+]2CCN(C(=O)CCC3C[NH2+]C3)CC2)cc1 ZINC000638053832 452335310 /nfs/dbraw/zinc/33/53/10/452335310.db2.gz BFNZSMVSKFXSIQ-UHFFFAOYSA-N 2 2 331.460 1.729 20 0 EDADLP Cc1cc(C[NH3+])oc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000638059395 452348114 /nfs/dbraw/zinc/34/81/14/452348114.db2.gz ZYJBCQJSWAFEKE-UHFFFAOYSA-N 2 2 330.388 1.208 20 0 EDADLP [NH3+]C[C@@]1(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CCCOC1 ZINC000638061515 452355432 /nfs/dbraw/zinc/35/54/32/452355432.db2.gz HHWUUMPUVRJNHH-IBGZPJMESA-N 2 2 346.475 1.834 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000663626495 452363425 /nfs/dbraw/zinc/36/34/25/452363425.db2.gz AMXDBBAUUSBJQV-NCOADZHNSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000663626495 452363435 /nfs/dbraw/zinc/36/34/35/452363435.db2.gz AMXDBBAUUSBJQV-NCOADZHNSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000663626495 452363445 /nfs/dbraw/zinc/36/34/45/452363445.db2.gz AMXDBBAUUSBJQV-NCOADZHNSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000663626495 452363452 /nfs/dbraw/zinc/36/34/52/452363452.db2.gz AMXDBBAUUSBJQV-NCOADZHNSA-N 2 2 340.512 1.515 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCC[C@@H]1C ZINC000663626933 452364875 /nfs/dbraw/zinc/36/48/75/452364875.db2.gz AQBYELANFVZNLB-LUKYLMHMSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCC[C@@H]1C ZINC000663626933 452364883 /nfs/dbraw/zinc/36/48/83/452364883.db2.gz AQBYELANFVZNLB-LUKYLMHMSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000663626933 452364887 /nfs/dbraw/zinc/36/48/87/452364887.db2.gz AQBYELANFVZNLB-LUKYLMHMSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@@H](CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000663626933 452364891 /nfs/dbraw/zinc/36/48/91/452364891.db2.gz AQBYELANFVZNLB-LUKYLMHMSA-N 2 2 340.512 1.658 20 0 EDADLP C[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+]1CCC[C@H](C)C1 ZINC000663628329 452367698 /nfs/dbraw/zinc/36/76/98/452367698.db2.gz MJRXNNLRKGUFNG-DLBZAZTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+]1CCC[C@H](C)C1 ZINC000663628329 452367706 /nfs/dbraw/zinc/36/77/06/452367706.db2.gz MJRXNNLRKGUFNG-DLBZAZTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000663628329 452367713 /nfs/dbraw/zinc/36/77/13/452367713.db2.gz MJRXNNLRKGUFNG-DLBZAZTESA-N 3 2 341.544 1.290 20 0 EDADLP C[C@H](CNC(=O)NCC[NH+](C)CCC[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000663628329 452367718 /nfs/dbraw/zinc/36/77/18/452367718.db2.gz MJRXNNLRKGUFNG-DLBZAZTESA-N 3 2 341.544 1.290 20 0 EDADLP CC1(C)C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000657598793 452370276 /nfs/dbraw/zinc/37/02/76/452370276.db2.gz VUEOSEYQQBIZOG-ICSRJNTNSA-N 2 2 348.487 1.797 20 0 EDADLP CC1(C)C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000657598793 452370282 /nfs/dbraw/zinc/37/02/82/452370282.db2.gz VUEOSEYQQBIZOG-ICSRJNTNSA-N 2 2 348.487 1.797 20 0 EDADLP CC1(C)C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000657598795 452370546 /nfs/dbraw/zinc/37/05/46/452370546.db2.gz VUEOSEYQQBIZOG-UYAOXDASSA-N 2 2 348.487 1.797 20 0 EDADLP CC1(C)C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000657598795 452370555 /nfs/dbraw/zinc/37/05/55/452370555.db2.gz VUEOSEYQQBIZOG-UYAOXDASSA-N 2 2 348.487 1.797 20 0 EDADLP CC[C@@]1(O)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000640033253 452371061 /nfs/dbraw/zinc/37/10/61/452371061.db2.gz KVSBKIQNLVKXKN-GOSISDBHSA-N 2 2 335.448 1.161 20 0 EDADLP CC[C@@]1(O)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000640033253 452371065 /nfs/dbraw/zinc/37/10/65/452371065.db2.gz KVSBKIQNLVKXKN-GOSISDBHSA-N 2 2 335.448 1.161 20 0 EDADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000659513726 452378120 /nfs/dbraw/zinc/37/81/20/452378120.db2.gz ZSFXHJMABQUFRR-HUUCEWRRSA-N 2 2 331.464 1.869 20 0 EDADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000638074299 452383852 /nfs/dbraw/zinc/38/38/52/452383852.db2.gz KUUIRRMUPLLSGU-CVEARBPZSA-N 2 2 326.400 1.941 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000663642053 452384415 /nfs/dbraw/zinc/38/44/15/452384415.db2.gz OIYPNKCMHQTZOJ-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000663642053 452384425 /nfs/dbraw/zinc/38/44/25/452384425.db2.gz OIYPNKCMHQTZOJ-PMPSAXMXSA-N 2 2 326.485 1.269 20 0 EDADLP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657606289 452386344 /nfs/dbraw/zinc/38/63/44/452386344.db2.gz SLYVYRJCCAEQJT-HZPDHXFCSA-N 2 2 330.494 1.185 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2[nH+]1 ZINC000657620160 452393343 /nfs/dbraw/zinc/39/33/43/452393343.db2.gz KLALRQHJAWCITD-OAHLLOKOSA-N 2 2 341.415 1.278 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)C3=CC[C@@H]([NH3+])C3)CCCC2)no1 ZINC000638081407 452397233 /nfs/dbraw/zinc/39/72/33/452397233.db2.gz LHFLLBNAJGZKOS-CQSZACIVSA-N 2 2 347.463 1.844 20 0 EDADLP [NH3+]CCC[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000659545676 452404685 /nfs/dbraw/zinc/40/46/85/452404685.db2.gz SFLAWDDEEIBPMT-ROUUACIJSA-N 2 2 346.475 1.583 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000663666692 452406589 /nfs/dbraw/zinc/40/65/89/452406589.db2.gz XZMLNCQURHABIV-MRXNPFEDSA-N 2 2 334.464 1.173 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000663666692 452406594 /nfs/dbraw/zinc/40/65/94/452406594.db2.gz XZMLNCQURHABIV-MRXNPFEDSA-N 2 2 334.464 1.173 20 0 EDADLP CN(C(=O)NCC1([NH3+])CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659572004 452427892 /nfs/dbraw/zinc/42/78/92/452427892.db2.gz CVZMLDIZLYPNAM-MRXNPFEDSA-N 3 2 337.512 1.068 20 0 EDADLP CN(C(=O)NCC1([NH3+])CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659572004 452427897 /nfs/dbraw/zinc/42/78/97/452427897.db2.gz CVZMLDIZLYPNAM-MRXNPFEDSA-N 3 2 337.512 1.068 20 0 EDADLP Cc1cccc([C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)[NH+]2CCOCC2)c1 ZINC000645484988 452456193 /nfs/dbraw/zinc/45/61/93/452456193.db2.gz ARZNZVWJEKTANS-IRXDYDNUSA-N 2 2 331.460 1.483 20 0 EDADLP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000652290721 452475205 /nfs/dbraw/zinc/47/52/05/452475205.db2.gz OHFZWLMPPZBKPD-MAUKXSAKSA-N 2 2 346.475 1.411 20 0 EDADLP Cc1cn2ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc2[nH+]1 ZINC000657731361 452484416 /nfs/dbraw/zinc/48/44/16/452484416.db2.gz AZSDMIUMUXMZED-CYBMUJFWSA-N 2 2 345.447 1.674 20 0 EDADLP C[C@]12COC[C@@H]1C[N@H+](CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000661700139 452504085 /nfs/dbraw/zinc/50/40/85/452504085.db2.gz WWMXMABNCKAJMP-YJBOKZPZSA-N 2 2 349.500 1.361 20 0 EDADLP C[C@]12COC[C@@H]1C[N@@H+](CC(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000661700139 452504096 /nfs/dbraw/zinc/50/40/96/452504096.db2.gz WWMXMABNCKAJMP-YJBOKZPZSA-N 2 2 349.500 1.361 20 0 EDADLP COCCN1CCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655708616 452526009 /nfs/dbraw/zinc/52/60/09/452526009.db2.gz RFBRTABPEYIWPA-ROUUACIJSA-N 2 2 325.497 1.330 20 0 EDADLP C[C@@H]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000655713667 452532423 /nfs/dbraw/zinc/53/24/23/452532423.db2.gz RRFVABQOEMHUCQ-HZPDHXFCSA-N 2 2 348.516 1.994 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H]1C[NH3+] ZINC000652357203 452534475 /nfs/dbraw/zinc/53/44/75/452534475.db2.gz AXROFZBENYEMIY-LMMKCTJWSA-N 2 2 331.460 1.550 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)C[C@H]1C[NH3+] ZINC000652357203 452534476 /nfs/dbraw/zinc/53/44/76/452534476.db2.gz AXROFZBENYEMIY-LMMKCTJWSA-N 2 2 331.460 1.550 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000655718021 452534624 /nfs/dbraw/zinc/53/46/24/452534624.db2.gz UOVKPKYOKGOZES-UCUFBTAOSA-N 2 2 338.496 1.269 20 0 EDADLP C[NH+](C)CC1CCC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000655718021 452534632 /nfs/dbraw/zinc/53/46/32/452534632.db2.gz UOVKPKYOKGOZES-UCUFBTAOSA-N 2 2 338.496 1.269 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3OC)C2=O)C[C@H]1C[NH3+] ZINC000652357036 452535160 /nfs/dbraw/zinc/53/51/60/452535160.db2.gz YBMWUUWGXBXRBD-UKPHBRMFSA-N 2 2 333.432 1.096 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3OC)C2=O)C[C@H]1C[NH3+] ZINC000652357036 452535167 /nfs/dbraw/zinc/53/51/67/452535167.db2.gz YBMWUUWGXBXRBD-UKPHBRMFSA-N 2 2 333.432 1.096 20 0 EDADLP CCO[C@@H]1C[N@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C[C@H]1C[NH3+] ZINC000652358127 452536945 /nfs/dbraw/zinc/53/69/45/452536945.db2.gz FBQXEFLCZVCTGU-OKCMZBEQSA-N 2 2 335.492 1.223 20 0 EDADLP CCO[C@@H]1C[N@@H+](CC(=O)NC2C3CC4CC(C3)CC2C4)C[C@H]1C[NH3+] ZINC000652358127 452536950 /nfs/dbraw/zinc/53/69/50/452536950.db2.gz FBQXEFLCZVCTGU-OKCMZBEQSA-N 2 2 335.492 1.223 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cc(OC)ccc3C2)CC1 ZINC000661739086 452538590 /nfs/dbraw/zinc/53/85/90/452538590.db2.gz YAAOVCDUGDNPOT-UHFFFAOYSA-N 2 2 331.460 1.654 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3cc(OC)ccc3C2)CC1 ZINC000661739086 452538600 /nfs/dbraw/zinc/53/86/00/452538600.db2.gz YAAOVCDUGDNPOT-UHFFFAOYSA-N 2 2 331.460 1.654 20 0 EDADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000652358239 452539534 /nfs/dbraw/zinc/53/95/34/452539534.db2.gz NMFQNVYOSPGAGH-IARIHHJXSA-N 2 2 337.439 1.687 20 0 EDADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000652358239 452539538 /nfs/dbraw/zinc/53/95/38/452539538.db2.gz NMFQNVYOSPGAGH-IARIHHJXSA-N 2 2 337.439 1.687 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814716 452545620 /nfs/dbraw/zinc/54/56/20/452545620.db2.gz AXJLTDNZMUCBBP-MAUKXSAKSA-N 2 2 337.508 1.914 20 0 EDADLP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814716 452545627 /nfs/dbraw/zinc/54/56/27/452545627.db2.gz AXJLTDNZMUCBBP-MAUKXSAKSA-N 2 2 337.508 1.914 20 0 EDADLP Cc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2n[nH]cc21 ZINC000666054563 452559987 /nfs/dbraw/zinc/55/99/87/452559987.db2.gz FHFQHZQDPYISEV-UHFFFAOYSA-N 2 2 332.452 1.876 20 0 EDADLP Cc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2n[nH]cc21 ZINC000666054563 452559994 /nfs/dbraw/zinc/55/99/94/452559994.db2.gz FHFQHZQDPYISEV-UHFFFAOYSA-N 2 2 332.452 1.876 20 0 EDADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000661856552 452636321 /nfs/dbraw/zinc/63/63/21/452636321.db2.gz IVUSPFWBPHPORP-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC000661856552 452636328 /nfs/dbraw/zinc/63/63/28/452636328.db2.gz IVUSPFWBPHPORP-SJORKVTESA-N 2 2 346.475 1.620 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+](CCO)C[C@H]3C)CC2)[nH+]c1 ZINC000654552589 452636939 /nfs/dbraw/zinc/63/69/39/452636939.db2.gz QUFDLNQOGYCVHQ-MRXNPFEDSA-N 2 2 346.475 1.131 20 0 EDADLP Cc1ccc(N2CCC(C(=O)N3CC[N@H+](CCO)C[C@H]3C)CC2)[nH+]c1 ZINC000654552589 452636947 /nfs/dbraw/zinc/63/69/47/452636947.db2.gz QUFDLNQOGYCVHQ-MRXNPFEDSA-N 2 2 346.475 1.131 20 0 EDADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000647900947 452643023 /nfs/dbraw/zinc/64/30/23/452643023.db2.gz HWRZNRBOFOOCKY-WNRNVDISSA-N 2 2 335.492 1.620 20 0 EDADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000647900947 452643031 /nfs/dbraw/zinc/64/30/31/452643031.db2.gz HWRZNRBOFOOCKY-WNRNVDISSA-N 2 2 335.492 1.620 20 0 EDADLP Cc1ncsc1C[N@H+](CCCCS(C)(=O)=O)C[C@@H]1CC[NH2+]C1 ZINC000647915634 452653354 /nfs/dbraw/zinc/65/33/54/452653354.db2.gz MCUQDRGAEFFUMY-CQSZACIVSA-N 2 2 345.534 1.688 20 0 EDADLP Cc1ncsc1C[N@@H+](CCCCS(C)(=O)=O)C[C@@H]1CC[NH2+]C1 ZINC000647915634 452653357 /nfs/dbraw/zinc/65/33/57/452653357.db2.gz MCUQDRGAEFFUMY-CQSZACIVSA-N 2 2 345.534 1.688 20 0 EDADLP CCN(CC)c1ccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c[nH+]1 ZINC000655912132 452670736 /nfs/dbraw/zinc/67/07/36/452670736.db2.gz QVHALVQRUGWQCX-LLVKDONJSA-N 2 2 333.358 1.617 20 0 EDADLP CC[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccccc2F)CC[C@H]1[NH3+] ZINC000647936425 452675837 /nfs/dbraw/zinc/67/58/37/452675837.db2.gz DJVKXXIVUNQMJN-GOEBONIOSA-N 2 2 337.439 1.722 20 0 EDADLP CC[C@H]1C[N@@H+](CC(=O)N(C)CCOc2ccccc2F)CC[C@H]1[NH3+] ZINC000647936425 452675844 /nfs/dbraw/zinc/67/58/44/452675844.db2.gz DJVKXXIVUNQMJN-GOEBONIOSA-N 2 2 337.439 1.722 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647936614 452676194 /nfs/dbraw/zinc/67/61/94/452676194.db2.gz IHULTTYMLVTURU-QAPCUYQASA-N 2 2 333.476 1.899 20 0 EDADLP CCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647936614 452676196 /nfs/dbraw/zinc/67/61/96/452676196.db2.gz IHULTTYMLVTURU-QAPCUYQASA-N 2 2 333.476 1.899 20 0 EDADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000647934456 452676657 /nfs/dbraw/zinc/67/66/57/452676657.db2.gz GFXSNYMLWUJZOH-NJAFHUGGSA-N 3 2 332.492 1.465 20 0 EDADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000647934456 452676669 /nfs/dbraw/zinc/67/66/69/452676669.db2.gz GFXSNYMLWUJZOH-NJAFHUGGSA-N 3 2 332.492 1.465 20 0 EDADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC[C@@H]1[NH3+] ZINC000647938203 452678867 /nfs/dbraw/zinc/67/88/67/452678867.db2.gz IANPOGMQAFIFPD-IOASZLSFSA-N 2 2 332.448 1.432 20 0 EDADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC[C@@H]1[NH3+] ZINC000647938203 452678875 /nfs/dbraw/zinc/67/88/75/452678875.db2.gz IANPOGMQAFIFPD-IOASZLSFSA-N 2 2 332.448 1.432 20 0 EDADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000647963356 452707299 /nfs/dbraw/zinc/70/72/99/452707299.db2.gz QQTHEOOIFBVELB-KRWDZBQOSA-N 2 2 337.512 1.068 20 0 EDADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000647963356 452707304 /nfs/dbraw/zinc/70/73/04/452707304.db2.gz QQTHEOOIFBVELB-KRWDZBQOSA-N 2 2 337.512 1.068 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000647967310 452712436 /nfs/dbraw/zinc/71/24/36/452712436.db2.gz AOHCWBIDZYNUFQ-GOSISDBHSA-N 2 2 348.491 1.974 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000647967310 452712444 /nfs/dbraw/zinc/71/24/44/452712444.db2.gz AOHCWBIDZYNUFQ-GOSISDBHSA-N 2 2 348.491 1.974 20 0 EDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000647969004 452714042 /nfs/dbraw/zinc/71/40/42/452714042.db2.gz IKGAVXKEJNCTCG-MRXNPFEDSA-N 2 2 347.507 1.827 20 0 EDADLP FC(F)(F)Cn1nnnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977966 452722983 /nfs/dbraw/zinc/72/29/83/452722983.db2.gz KGKYUXKLEPZFDQ-RYUDHWBXSA-N 2 2 332.374 1.447 20 0 EDADLP FC(F)(F)Cn1nnnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977966 452722995 /nfs/dbraw/zinc/72/29/95/452722995.db2.gz KGKYUXKLEPZFDQ-RYUDHWBXSA-N 2 2 332.374 1.447 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649523 452741545 /nfs/dbraw/zinc/74/15/45/452741545.db2.gz HELMHCSIEVCVJP-CAOSSQGBSA-N 2 2 349.479 1.796 20 0 EDADLP C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649523 452741552 /nfs/dbraw/zinc/74/15/52/452741552.db2.gz HELMHCSIEVCVJP-CAOSSQGBSA-N 2 2 349.479 1.796 20 0 EDADLP C[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650206 452746027 /nfs/dbraw/zinc/74/60/27/452746027.db2.gz UUPVMLNDVXFZOC-KFWWJZLASA-N 2 2 349.479 1.796 20 0 EDADLP C[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654650206 452746036 /nfs/dbraw/zinc/74/60/36/452746036.db2.gz UUPVMLNDVXFZOC-KFWWJZLASA-N 2 2 349.479 1.796 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000648018382 452755571 /nfs/dbraw/zinc/75/55/71/452755571.db2.gz KMCICEXHSUZLPL-UXHICEINSA-N 2 2 347.503 1.276 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000648018382 452755580 /nfs/dbraw/zinc/75/55/80/452755580.db2.gz KMCICEXHSUZLPL-UXHICEINSA-N 2 2 347.503 1.276 20 0 EDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)C1 ZINC000648018382 452755588 /nfs/dbraw/zinc/75/55/88/452755588.db2.gz KMCICEXHSUZLPL-UXHICEINSA-N 2 2 347.503 1.276 20 0 EDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)C1 ZINC000648018382 452755597 /nfs/dbraw/zinc/75/55/97/452755597.db2.gz KMCICEXHSUZLPL-UXHICEINSA-N 2 2 347.503 1.276 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000648018382 452755601 /nfs/dbraw/zinc/75/56/01/452755601.db2.gz KMCICEXHSUZLPL-UXHICEINSA-N 2 2 347.503 1.276 20 0 EDADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000648018382 452755610 /nfs/dbraw/zinc/75/56/10/452755610.db2.gz KMCICEXHSUZLPL-UXHICEINSA-N 2 2 347.503 1.276 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N(C)C[C@H]3CCC[N@@H+]3C)cn21 ZINC000645760716 452764282 /nfs/dbraw/zinc/76/42/82/452764282.db2.gz PTELNXKAZCWSCD-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N(C)C[C@H]3CCC[N@H+]3C)cn21 ZINC000645760716 452764290 /nfs/dbraw/zinc/76/42/90/452764290.db2.gz PTELNXKAZCWSCD-MRXNPFEDSA-N 2 2 329.448 1.921 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NCCC3CC[NH2+]CC3)ccc2n1C ZINC000652643708 452800915 /nfs/dbraw/zinc/80/09/15/452800915.db2.gz XUSRPTWYUAJKBB-UHFFFAOYSA-N 2 2 343.431 1.326 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000664154359 452826691 /nfs/dbraw/zinc/82/66/91/452826691.db2.gz KMRJGKRKUOKKPC-QGZVFWFLSA-N 2 2 346.519 1.974 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000664154359 452826697 /nfs/dbraw/zinc/82/66/97/452826697.db2.gz KMRJGKRKUOKKPC-QGZVFWFLSA-N 2 2 346.519 1.974 20 0 EDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)CC)CC2)[C@@H](C)C1 ZINC000658298475 452836262 /nfs/dbraw/zinc/83/62/62/452836262.db2.gz HIJWHSIOUBIZQD-HOTGVXAUSA-N 2 2 346.537 1.680 20 0 EDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)CC)CC2)[C@@H](C)C1 ZINC000658298475 452836264 /nfs/dbraw/zinc/83/62/64/452836264.db2.gz HIJWHSIOUBIZQD-HOTGVXAUSA-N 2 2 346.537 1.680 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCOC(C)(C)C ZINC000666398347 452841656 /nfs/dbraw/zinc/84/16/56/452841656.db2.gz DWHGBWSEQSBWMR-UHFFFAOYSA-N 2 2 342.528 1.859 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCOC(C)(C)C ZINC000666398347 452841659 /nfs/dbraw/zinc/84/16/59/452841659.db2.gz DWHGBWSEQSBWMR-UHFFFAOYSA-N 2 2 342.528 1.859 20 0 EDADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658345048 452858933 /nfs/dbraw/zinc/85/89/33/452858933.db2.gz YDYBDBRAFZJGKC-MJGOQNOKSA-N 2 2 327.476 1.677 20 0 EDADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658345048 452858936 /nfs/dbraw/zinc/85/89/36/452858936.db2.gz YDYBDBRAFZJGKC-MJGOQNOKSA-N 2 2 327.476 1.677 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000659978411 452886116 /nfs/dbraw/zinc/88/61/16/452886116.db2.gz FDVBSLJHYSBOKL-RBUKOAKNSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000659978411 452886122 /nfs/dbraw/zinc/88/61/22/452886122.db2.gz FDVBSLJHYSBOKL-RBUKOAKNSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000659978411 452886132 /nfs/dbraw/zinc/88/61/32/452886132.db2.gz FDVBSLJHYSBOKL-RBUKOAKNSA-N 2 2 347.503 1.972 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000659978411 452886143 /nfs/dbraw/zinc/88/61/43/452886143.db2.gz FDVBSLJHYSBOKL-RBUKOAKNSA-N 2 2 347.503 1.972 20 0 EDADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C1 ZINC000662153156 452889684 /nfs/dbraw/zinc/88/96/84/452889684.db2.gz OLFLLXFKRXQDGG-IBGZPJMESA-N 2 2 326.444 1.903 20 0 EDADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C1 ZINC000662153156 452889695 /nfs/dbraw/zinc/88/96/95/452889695.db2.gz OLFLLXFKRXQDGG-IBGZPJMESA-N 2 2 326.444 1.903 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662155768 452893242 /nfs/dbraw/zinc/89/32/42/452893242.db2.gz GQMMVBXUZBMMNK-KYHPRHEASA-N 2 2 337.508 1.410 20 0 EDADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662155768 452893250 /nfs/dbraw/zinc/89/32/50/452893250.db2.gz GQMMVBXUZBMMNK-KYHPRHEASA-N 2 2 337.508 1.410 20 0 EDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000666512671 452927572 /nfs/dbraw/zinc/92/75/72/452927572.db2.gz HPDPCBXIJPYLNR-HZPDHXFCSA-N 2 2 332.448 1.094 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660039795 452949800 /nfs/dbraw/zinc/94/98/00/452949800.db2.gz PLCWPLOIKIGGGN-GASCZTMLSA-N 2 2 336.480 1.518 20 0 EDADLP Cc1noc(C)c1C[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660039795 452949807 /nfs/dbraw/zinc/94/98/07/452949807.db2.gz PLCWPLOIKIGGGN-GASCZTMLSA-N 2 2 336.480 1.518 20 0 EDADLP O=C(c1cccc(F)c1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250306 452975235 /nfs/dbraw/zinc/97/52/35/452975235.db2.gz DZFDICNRZRARBE-INIZCTEOSA-N 2 2 333.407 1.105 20 0 EDADLP O=C(Cc1ccccc1F)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662252941 452980961 /nfs/dbraw/zinc/98/09/61/452980961.db2.gz DUMNCGPMQXTACT-MRXNPFEDSA-N 2 2 347.434 1.033 20 0 EDADLP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1(C)C ZINC000656258933 452994310 /nfs/dbraw/zinc/99/43/10/452994310.db2.gz XBMSDQTWHVZAQJ-JFIYKMOQSA-N 2 2 326.481 1.395 20 0 EDADLP c1ncn(-c2ccccc2C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000656281543 453006612 /nfs/dbraw/zinc/00/66/12/453006612.db2.gz ZURHPRLVFJKHHO-GOSISDBHSA-N 2 2 341.459 1.954 20 0 EDADLP c1ncn(-c2ccccc2C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000656281543 453006621 /nfs/dbraw/zinc/00/66/21/453006621.db2.gz ZURHPRLVFJKHHO-GOSISDBHSA-N 2 2 341.459 1.954 20 0 EDADLP Cc1c[nH+]c2cc(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)ccn12 ZINC000654899461 453019309 /nfs/dbraw/zinc/01/93/09/453019309.db2.gz MMZQBVXZRJTALS-MRXNPFEDSA-N 2 2 328.416 1.626 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NC2CCCCCC2)CCO1 ZINC000662316661 453032638 /nfs/dbraw/zinc/03/26/38/453032638.db2.gz LNBFHRNVSWXQRE-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NC2CCCCCC2)CCO1 ZINC000662316661 453032643 /nfs/dbraw/zinc/03/26/43/453032643.db2.gz LNBFHRNVSWXQRE-QGZVFWFLSA-N 2 2 325.497 1.868 20 0 EDADLP c1c(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662326883 453046619 /nfs/dbraw/zinc/04/66/19/453046619.db2.gz GFANPMGAOQUIBM-INIZCTEOSA-N 3 2 333.480 1.045 20 0 EDADLP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662326883 453046623 /nfs/dbraw/zinc/04/66/23/453046623.db2.gz GFANPMGAOQUIBM-INIZCTEOSA-N 3 2 333.480 1.045 20 0 EDADLP CCc1nc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)no1 ZINC000662337883 453055977 /nfs/dbraw/zinc/05/59/77/453055977.db2.gz NFAJZEACNMMVKR-CYBMUJFWSA-N 2 2 345.451 1.144 20 0 EDADLP CCc1nc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)no1 ZINC000662337883 453055988 /nfs/dbraw/zinc/05/59/88/453055988.db2.gz NFAJZEACNMMVKR-CYBMUJFWSA-N 2 2 345.451 1.144 20 0 EDADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646051498 453059164 /nfs/dbraw/zinc/05/91/64/453059164.db2.gz WHAIDWSZQKLPCO-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000646051498 453059171 /nfs/dbraw/zinc/05/91/71/453059171.db2.gz WHAIDWSZQKLPCO-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000646051498 453059174 /nfs/dbraw/zinc/05/91/74/453059174.db2.gz WHAIDWSZQKLPCO-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000646051498 453059182 /nfs/dbraw/zinc/05/91/82/453059182.db2.gz WHAIDWSZQKLPCO-MOPGFXCFSA-N 2 2 345.487 1.830 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103453 453103250 /nfs/dbraw/zinc/10/32/50/453103250.db2.gz UHHUJPKLTBPVGH-INIZCTEOSA-N 2 2 343.471 1.761 20 0 EDADLP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103453 453103254 /nfs/dbraw/zinc/10/32/54/453103254.db2.gz UHHUJPKLTBPVGH-INIZCTEOSA-N 2 2 343.471 1.761 20 0 EDADLP CC[NH+](CC)CCNS(=O)(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000656371747 453143347 /nfs/dbraw/zinc/14/33/47/453143347.db2.gz RMMINVCEROSIGB-UHFFFAOYSA-N 2 2 336.461 1.707 20 0 EDADLP Cn1ncc(C2CC2)c1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664539199 453180617 /nfs/dbraw/zinc/18/06/17/453180617.db2.gz KSFBDMIEYAJSIY-UHFFFAOYSA-N 2 2 348.495 1.123 20 0 EDADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000648716161 453204708 /nfs/dbraw/zinc/20/47/08/453204708.db2.gz YMCSTTHBECCKMJ-HOTGVXAUSA-N 2 2 334.464 1.720 20 0 EDADLP CCOc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc(Cl)c1O ZINC000656493144 453223428 /nfs/dbraw/zinc/22/34/28/453223428.db2.gz DRAMLMJSCYETMH-UHFFFAOYSA-N 2 2 341.839 1.308 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000653075371 453254294 /nfs/dbraw/zinc/25/42/94/453254294.db2.gz OXCJOMWRPBJVIC-SFHVURJKSA-N 2 2 333.476 1.516 20 0 EDADLP Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(OC[C@H]2CCCO2)c1 ZINC000653076476 453254825 /nfs/dbraw/zinc/25/48/25/453254825.db2.gz XLHUVDYUCDKYOC-HUUCEWRRSA-N 2 2 335.448 1.770 20 0 EDADLP Cc1ccccc1C1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCOCC1 ZINC000653077775 453256157 /nfs/dbraw/zinc/25/61/57/453256157.db2.gz KXCPLCVPIIUVQG-QGZVFWFLSA-N 2 2 333.476 1.438 20 0 EDADLP COc1cccc(C2(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC2)c1 ZINC000653088662 453270139 /nfs/dbraw/zinc/27/01/39/453270139.db2.gz GWWBJRPMTWASJG-QGZVFWFLSA-N 2 2 333.476 1.902 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000653090211 453273282 /nfs/dbraw/zinc/27/32/82/453273282.db2.gz IVZIUDCKLDGNBZ-SNVBAGLBSA-N 2 2 337.317 1.984 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000653098604 453281713 /nfs/dbraw/zinc/28/17/13/453281713.db2.gz SDMNFVJMCMLUNL-HNNXBMFYSA-N 2 2 335.839 1.802 20 0 EDADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000653114004 453301001 /nfs/dbraw/zinc/30/10/01/453301001.db2.gz VQIMXBIBYGUXLB-IBGZPJMESA-N 3 2 346.519 1.958 20 0 EDADLP CC(C)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1nc(-c2cccnc2)no1 ZINC000653115796 453303158 /nfs/dbraw/zinc/30/31/58/453303158.db2.gz ZXXWPGVNAXCRAY-KGLIPLIRSA-N 2 2 346.435 1.224 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cc(Cl)ccc1Br ZINC000653166376 453358164 /nfs/dbraw/zinc/35/81/64/453358164.db2.gz FHTKVPLISMIOBB-GFCCVEGCSA-N 2 2 348.672 1.998 20 0 EDADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000653136787 453327382 /nfs/dbraw/zinc/32/73/82/453327382.db2.gz GEZJGXXHYXRVNM-MRXNPFEDSA-N 2 2 325.416 1.330 20 0 EDADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000653140088 453330001 /nfs/dbraw/zinc/33/00/01/453330001.db2.gz LRMZKTHTAXTKHU-MRXNPFEDSA-N 3 2 342.434 1.134 20 0 EDADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660482586 453339578 /nfs/dbraw/zinc/33/95/78/453339578.db2.gz GLRGKBULINVGQI-BSDSXHPESA-N 2 2 335.492 1.478 20 0 EDADLP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000660482586 453339586 /nfs/dbraw/zinc/33/95/86/453339586.db2.gz GLRGKBULINVGQI-BSDSXHPESA-N 2 2 335.492 1.478 20 0 EDADLP O=C(NCc1ccc[nH+]c1N1CCCC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662622906 453341802 /nfs/dbraw/zinc/34/18/02/453341802.db2.gz IQCSONNBXQACDM-CYBMUJFWSA-N 2 2 340.431 1.412 20 0 EDADLP CCc1c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cnn1-c1cccc(C)c1 ZINC000653160814 453352699 /nfs/dbraw/zinc/35/26/99/453352699.db2.gz XYIPPBHUPPCZRC-HNNXBMFYSA-N 2 2 329.448 1.961 20 0 EDADLP CCc1nc2cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc2n1C1CC1 ZINC000653161106 453355025 /nfs/dbraw/zinc/35/50/25/453355025.db2.gz DBSVBVYDGTYDHD-OAHLLOKOSA-N 2 2 343.475 1.829 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cccc2cc[nH]c21 ZINC000664728285 453358481 /nfs/dbraw/zinc/35/84/81/453358481.db2.gz NIOWYHFEQMOCOP-UHFFFAOYSA-N 2 2 331.464 1.851 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cccc2cc[nH]c21 ZINC000664728285 453358491 /nfs/dbraw/zinc/35/84/91/453358491.db2.gz NIOWYHFEQMOCOP-UHFFFAOYSA-N 2 2 331.464 1.851 20 0 EDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1F ZINC000662662629 453376061 /nfs/dbraw/zinc/37/60/61/453376061.db2.gz ADQUDWDFRHZNLN-CZUORRHYSA-N 2 2 339.386 1.288 20 0 EDADLP [NH3+]C1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC2(CCC2)C1 ZINC000662666586 453379477 /nfs/dbraw/zinc/37/94/77/453379477.db2.gz MCGCEGODRHKFGU-UHFFFAOYSA-N 2 2 343.471 1.871 20 0 EDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCc1nc(-c2ccccc2)no1 ZINC000660537360 453382508 /nfs/dbraw/zinc/38/25/08/453382508.db2.gz LGLBQJFALRVENZ-INIZCTEOSA-N 2 2 332.448 1.912 20 0 EDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1nc(-c2ccccc2)no1 ZINC000660537360 453382516 /nfs/dbraw/zinc/38/25/16/453382516.db2.gz LGLBQJFALRVENZ-INIZCTEOSA-N 2 2 332.448 1.912 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000660537360 453382521 /nfs/dbraw/zinc/38/25/21/453382521.db2.gz LGLBQJFALRVENZ-INIZCTEOSA-N 2 2 332.448 1.912 20 0 EDADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000660537360 453382531 /nfs/dbraw/zinc/38/25/31/453382531.db2.gz LGLBQJFALRVENZ-INIZCTEOSA-N 2 2 332.448 1.912 20 0 EDADLP CC(C)([NH3+])c1cc(C(=O)N2CC[NH+](CCc3cccs3)CC2)on1 ZINC000662683115 453404790 /nfs/dbraw/zinc/40/47/90/453404790.db2.gz WFCSQEAEQFFZIJ-UHFFFAOYSA-N 2 2 348.472 1.930 20 0 EDADLP O=C(c1cccc2c1CC[NH2+]C2)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000662716062 453439878 /nfs/dbraw/zinc/43/98/78/453439878.db2.gz QLPSGTJMIBFTGI-KRWDZBQOSA-N 2 2 343.471 1.659 20 0 EDADLP CC(C)([NH3+])CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000646556704 453469100 /nfs/dbraw/zinc/46/91/00/453469100.db2.gz OPXHVEVMUZZEHB-AWEZNQCLSA-N 2 2 332.448 1.789 20 0 EDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662744164 453471815 /nfs/dbraw/zinc/47/18/15/453471815.db2.gz OGKONWGUDNMKOQ-IAGOWNOFSA-N 2 2 346.475 1.510 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000660643423 453483444 /nfs/dbraw/zinc/48/34/44/453483444.db2.gz ZIEHFTMLWFYQCI-IXDOHACOSA-N 2 2 338.496 1.223 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000660643423 453483451 /nfs/dbraw/zinc/48/34/51/453483451.db2.gz ZIEHFTMLWFYQCI-IXDOHACOSA-N 2 2 338.496 1.223 20 0 EDADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655409593 453512580 /nfs/dbraw/zinc/51/25/80/453512580.db2.gz AFSIIMHMVBIWFE-GVDBMIGSSA-N 2 2 340.427 1.209 20 0 EDADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655409593 453512585 /nfs/dbraw/zinc/51/25/85/453512585.db2.gz AFSIIMHMVBIWFE-GVDBMIGSSA-N 2 2 340.427 1.209 20 0 EDADLP Cc1[nH+]c2cc(NC(=O)C(=O)NC[C@H]3CCCC[NH2+]3)ccc2n1C ZINC000667262608 453521845 /nfs/dbraw/zinc/52/18/45/453521845.db2.gz JOCIVTMKSSELIV-CYBMUJFWSA-N 2 2 329.404 1.079 20 0 EDADLP Cc1cc(C)c(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c[nH+]1 ZINC000665069755 453564193 /nfs/dbraw/zinc/56/41/93/453564193.db2.gz YZZXASJARUNVIF-INIZCTEOSA-N 3 2 335.496 1.770 20 0 EDADLP Cc1cc(C)c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c[nH+]1 ZINC000665069755 453564196 /nfs/dbraw/zinc/56/41/96/453564196.db2.gz YZZXASJARUNVIF-INIZCTEOSA-N 3 2 335.496 1.770 20 0 EDADLP [NH3+][C@@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC[C@H]1F ZINC000658993388 453571298 /nfs/dbraw/zinc/57/12/98/453571298.db2.gz IZDDYFYEKRFTKP-ZIAGYGMSSA-N 2 2 347.394 1.865 20 0 EDADLP [NH3+]Cc1cccc(NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)c1 ZINC000659017380 453583067 /nfs/dbraw/zinc/58/30/67/453583067.db2.gz CMIMWJNSHAAJQA-UHFFFAOYSA-N 2 2 332.448 1.721 20 0 EDADLP C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCCC1 ZINC000660829851 453592303 /nfs/dbraw/zinc/59/23/03/453592303.db2.gz AURMEBVPCYIGOJ-IRXDYDNUSA-N 2 2 338.496 1.225 20 0 EDADLP O=C(N(CC[NH+]1CCOCC1)CC1CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662909627 453598658 /nfs/dbraw/zinc/59/86/58/453598658.db2.gz HCYYQVHXYDHSIX-OAHLLOKOSA-N 2 2 349.397 1.099 20 0 EDADLP [NH3+]C[C@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)c1ccccc1 ZINC000662911876 453599387 /nfs/dbraw/zinc/59/93/87/453599387.db2.gz WTCYZHLWKJQSRU-SFHVURJKSA-N 2 2 331.460 1.300 20 0 EDADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291483 453637958 /nfs/dbraw/zinc/63/79/58/453637958.db2.gz CMYQTTJCQVYVRD-SNVBAGLBSA-N 2 2 345.403 1.459 20 0 EDADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000657072482 453662075 /nfs/dbraw/zinc/66/20/75/453662075.db2.gz ZQVUGPXXVRAHLC-LBPRGKRZSA-N 2 2 333.523 1.607 20 0 EDADLP Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000657072482 453662077 /nfs/dbraw/zinc/66/20/77/453662077.db2.gz ZQVUGPXXVRAHLC-LBPRGKRZSA-N 2 2 333.523 1.607 20 0 EDADLP Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)s1 ZINC000657071798 453662259 /nfs/dbraw/zinc/66/22/59/453662259.db2.gz FLZJEIGXJZYUCC-LBPRGKRZSA-N 2 2 347.550 1.915 20 0 EDADLP Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)s1 ZINC000657071798 453662263 /nfs/dbraw/zinc/66/22/63/453662263.db2.gz FLZJEIGXJZYUCC-LBPRGKRZSA-N 2 2 347.550 1.915 20 0 EDADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000665364702 453668641 /nfs/dbraw/zinc/66/86/41/453668641.db2.gz VRIOJAVBBSVWRF-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000665364702 453668644 /nfs/dbraw/zinc/66/86/44/453668644.db2.gz VRIOJAVBBSVWRF-JKSUJKDBSA-N 2 2 338.496 1.365 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CCC1CCCCC1 ZINC000657092981 453675899 /nfs/dbraw/zinc/67/58/99/453675899.db2.gz VPACMEBOOBMPKS-UHFFFAOYSA-N 2 2 333.542 1.760 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CCC1CCCCC1 ZINC000657092981 453675903 /nfs/dbraw/zinc/67/59/03/453675903.db2.gz VPACMEBOOBMPKS-UHFFFAOYSA-N 2 2 333.542 1.760 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000657092967 453675949 /nfs/dbraw/zinc/67/59/49/453675949.db2.gz UYDJGCOSFBHWSS-ZDUSSCGKSA-N 2 2 341.468 1.225 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000657092967 453675953 /nfs/dbraw/zinc/67/59/53/453675953.db2.gz UYDJGCOSFBHWSS-ZDUSSCGKSA-N 2 2 341.468 1.225 20 0 EDADLP CC(C)(CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[NH+]1CCOCC1 ZINC000659261897 453690242 /nfs/dbraw/zinc/69/02/42/453690242.db2.gz AUDFTMMXBZBCNP-KRWDZBQOSA-N 2 2 345.487 1.906 20 0 EDADLP C[NH+](C)C1(CNC(=O)NCc2ccc[nH+]c2N2CCCC2)CCC1 ZINC000661049109 453695061 /nfs/dbraw/zinc/69/50/61/453695061.db2.gz UGIGDEBCEWXBDU-UHFFFAOYSA-N 2 2 331.464 1.965 20 0 EDADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000665463904 453702500 /nfs/dbraw/zinc/70/25/00/453702500.db2.gz REGZCAAIOVXYGR-BHIYHBOVSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000665463904 453702503 /nfs/dbraw/zinc/70/25/03/453702503.db2.gz REGZCAAIOVXYGR-BHIYHBOVSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000665463904 453702507 /nfs/dbraw/zinc/70/25/07/453702507.db2.gz REGZCAAIOVXYGR-BHIYHBOVSA-N 2 2 343.471 1.822 20 0 EDADLP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000665463904 453702511 /nfs/dbraw/zinc/70/25/11/453702511.db2.gz REGZCAAIOVXYGR-BHIYHBOVSA-N 2 2 343.471 1.822 20 0 EDADLP O=C(C[NH2+][C@H](CO)C1CCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000661154132 453738215 /nfs/dbraw/zinc/73/82/15/453738215.db2.gz LBSFJBMLXOLGGM-GOSISDBHSA-N 2 2 347.459 1.208 20 0 EDADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000661192462 453752936 /nfs/dbraw/zinc/75/29/36/453752936.db2.gz ZKDAMXXUPKJQOO-UHFFFAOYSA-N 2 2 346.435 1.477 20 0 EDADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000661192462 453752939 /nfs/dbraw/zinc/75/29/39/453752939.db2.gz ZKDAMXXUPKJQOO-UHFFFAOYSA-N 2 2 346.435 1.477 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NCc1ccccc1F ZINC000663305331 453763846 /nfs/dbraw/zinc/76/38/46/453763846.db2.gz YDHDHEHQZOAOSH-RHSMWYFYSA-N 2 2 349.450 1.673 20 0 EDADLP Cc1c(Br)cncc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657325513 453765940 /nfs/dbraw/zinc/76/59/40/453765940.db2.gz JRTXKZMFXPDRCW-CYBMUJFWSA-N 2 2 328.254 1.699 20 0 EDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657350319 453772350 /nfs/dbraw/zinc/77/23/50/453772350.db2.gz SWVOBQXVJFFFKU-LBPRGKRZSA-N 2 2 329.366 1.781 20 0 EDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(F)c(F)c2F)C1 ZINC000657350319 453772352 /nfs/dbraw/zinc/77/23/52/453772352.db2.gz SWVOBQXVJFFFKU-LBPRGKRZSA-N 2 2 329.366 1.781 20 0 EDADLP CC(C)C[NH+]1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663333634 453772703 /nfs/dbraw/zinc/77/27/03/453772703.db2.gz FXFIAIDVOWZWOM-UHFFFAOYSA-N 2 2 333.480 1.606 20 0 EDADLP NC(=O)[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)Cc1ccccc1Cl ZINC000657427191 453785553 /nfs/dbraw/zinc/78/55/53/453785553.db2.gz AXYHOMUPTMRVEC-CYBMUJFWSA-N 2 2 332.835 1.917 20 0 EDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCC[NH+](C)C)C1 ZINC000663408676 453791415 /nfs/dbraw/zinc/79/14/15/453791415.db2.gz GKGIXCKXRUKWQG-SFHVURJKSA-N 2 2 347.507 1.054 20 0 EDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NCCC[NH+](C)C)C1 ZINC000663408676 453791417 /nfs/dbraw/zinc/79/14/17/453791417.db2.gz GKGIXCKXRUKWQG-SFHVURJKSA-N 2 2 347.507 1.054 20 0 EDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000676111780 486670371 /nfs/dbraw/zinc/67/03/71/486670371.db2.gz VRLDUTAJXWWCFY-DOTOQJQBSA-N 2 2 330.476 1.860 20 0 EDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000676111780 486670374 /nfs/dbraw/zinc/67/03/74/486670374.db2.gz VRLDUTAJXWWCFY-DOTOQJQBSA-N 2 2 330.476 1.860 20 0 EDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676195611 486687419 /nfs/dbraw/zinc/68/74/19/486687419.db2.gz MVBGVJCAPXLWOK-CVEARBPZSA-N 2 2 334.464 1.890 20 0 EDADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ncc(C)o2)C1 ZINC000676195611 486687421 /nfs/dbraw/zinc/68/74/21/486687421.db2.gz MVBGVJCAPXLWOK-CVEARBPZSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ncc(C)o2)C1 ZINC000676195611 486687427 /nfs/dbraw/zinc/68/74/27/486687427.db2.gz MVBGVJCAPXLWOK-CVEARBPZSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ncc(C)o2)C1 ZINC000676195611 486687431 /nfs/dbraw/zinc/68/74/31/486687431.db2.gz MVBGVJCAPXLWOK-CVEARBPZSA-N 2 2 334.464 1.890 20 0 EDADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](C)[NH+](C)C)CCCC2)no1 ZINC000674263156 486688781 /nfs/dbraw/zinc/68/87/81/486688781.db2.gz AXNZGZCKIJWLMS-ZDUSSCGKSA-N 2 2 337.468 1.747 20 0 EDADLP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000676242514 486702043 /nfs/dbraw/zinc/70/20/43/486702043.db2.gz WJMMEVZJUPLQMQ-AEGPPILISA-N 2 2 340.493 1.369 20 0 EDADLP C[C@H](NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000676242514 486702048 /nfs/dbraw/zinc/70/20/48/486702048.db2.gz WJMMEVZJUPLQMQ-AEGPPILISA-N 2 2 340.493 1.369 20 0 EDADLP C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676286764 486719901 /nfs/dbraw/zinc/71/99/01/486719901.db2.gz FLPKDGXGMWTILF-PBHICJAKSA-N 2 2 328.416 1.380 20 0 EDADLP C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676286764 486719905 /nfs/dbraw/zinc/71/99/05/486719905.db2.gz FLPKDGXGMWTILF-PBHICJAKSA-N 2 2 328.416 1.380 20 0 EDADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000676306108 486730616 /nfs/dbraw/zinc/73/06/16/486730616.db2.gz SLCVGYASWZETOS-SZMVWBNQSA-N 2 2 346.475 1.404 20 0 EDADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000676306108 486730620 /nfs/dbraw/zinc/73/06/20/486730620.db2.gz SLCVGYASWZETOS-SZMVWBNQSA-N 2 2 346.475 1.404 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676306108 486730624 /nfs/dbraw/zinc/73/06/24/486730624.db2.gz SLCVGYASWZETOS-SZMVWBNQSA-N 2 2 346.475 1.404 20 0 EDADLP C[C@H](NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676306108 486730628 /nfs/dbraw/zinc/73/06/28/486730628.db2.gz SLCVGYASWZETOS-SZMVWBNQSA-N 2 2 346.475 1.404 20 0 EDADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000164475521 486740301 /nfs/dbraw/zinc/74/03/01/486740301.db2.gz ZYHAIWDAMQKAPY-OAHLLOKOSA-N 2 2 325.840 1.521 20 0 EDADLP COc1cc(C(F)(F)F)ncc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000667478436 486797844 /nfs/dbraw/zinc/79/78/44/486797844.db2.gz XAKCXZWZRLTDJB-VIFPVBQESA-N 2 2 347.341 1.216 20 0 EDADLP COc1cc(C(F)(F)F)ncc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000667478436 486797847 /nfs/dbraw/zinc/79/78/47/486797847.db2.gz XAKCXZWZRLTDJB-VIFPVBQESA-N 2 2 347.341 1.216 20 0 EDADLP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676706101 486847925 /nfs/dbraw/zinc/84/79/25/486847925.db2.gz CXJRFVNSHHMXLQ-ZWKOTPCHSA-N 2 2 335.492 1.717 20 0 EDADLP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676706101 486847927 /nfs/dbraw/zinc/84/79/27/486847927.db2.gz CXJRFVNSHHMXLQ-ZWKOTPCHSA-N 2 2 335.492 1.717 20 0 EDADLP C[C@@H]1COCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000676711252 486850641 /nfs/dbraw/zinc/85/06/41/486850641.db2.gz FLFVXEYPDJXTHS-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP C[C@@H]1COCCC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000676711252 486850644 /nfs/dbraw/zinc/85/06/44/486850644.db2.gz FLFVXEYPDJXTHS-OAHLLOKOSA-N 2 2 337.489 1.503 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000667602694 486868556 /nfs/dbraw/zinc/86/85/56/486868556.db2.gz IIPZSSXNPYIVML-KRWDZBQOSA-N 2 2 331.508 1.899 20 0 EDADLP Cn1ncc(C2CC2)c1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000667602694 486868558 /nfs/dbraw/zinc/86/85/58/486868558.db2.gz IIPZSSXNPYIVML-KRWDZBQOSA-N 2 2 331.508 1.899 20 0 EDADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670393086 486891891 /nfs/dbraw/zinc/89/18/91/486891891.db2.gz OXSGRELKEIUEGZ-QGZVFWFLSA-N 2 2 342.443 1.590 20 0 EDADLP O=C(NCc1c[nH+]c2n1CCCC2)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673082648 486903559 /nfs/dbraw/zinc/90/35/59/486903559.db2.gz JITTZPRHPJKBIV-MRXNPFEDSA-N 2 2 347.463 1.226 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676898293 486922427 /nfs/dbraw/zinc/92/24/27/486922427.db2.gz JDWXFSQQOPSTHE-OLZOCXBDSA-N 2 2 341.415 1.601 20 0 EDADLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676898293 486922430 /nfs/dbraw/zinc/92/24/30/486922430.db2.gz JDWXFSQQOPSTHE-OLZOCXBDSA-N 2 2 341.415 1.601 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681208191 486973325 /nfs/dbraw/zinc/97/33/25/486973325.db2.gz ZYOULSTWEPHKCH-RDJZCZTQSA-N 3 2 348.495 1.082 20 0 EDADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681208191 486973329 /nfs/dbraw/zinc/97/33/29/486973329.db2.gz ZYOULSTWEPHKCH-RDJZCZTQSA-N 3 2 348.495 1.082 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673289831 486975835 /nfs/dbraw/zinc/97/58/35/486975835.db2.gz WRRMDQBFKGPKAR-QGZVFWFLSA-N 2 2 346.475 1.088 20 0 EDADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673289831 486975838 /nfs/dbraw/zinc/97/58/38/486975838.db2.gz WRRMDQBFKGPKAR-QGZVFWFLSA-N 2 2 346.475 1.088 20 0 EDADLP CN(C(=O)c1nc2c(s1)CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000667954399 487031017 /nfs/dbraw/zinc/03/10/17/487031017.db2.gz BJHPEVOGTXYZRK-AWEZNQCLSA-N 2 2 348.516 1.872 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000668076999 487090612 /nfs/dbraw/zinc/09/06/12/487090612.db2.gz BPAJXXJXEOFWFO-HNNXBMFYSA-N 2 2 342.443 1.771 20 0 EDADLP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000668076999 487090617 /nfs/dbraw/zinc/09/06/17/487090617.db2.gz BPAJXXJXEOFWFO-HNNXBMFYSA-N 2 2 342.443 1.771 20 0 EDADLP COCC[NH+](CCOC)C1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000668147210 487120115 /nfs/dbraw/zinc/12/01/15/487120115.db2.gz AMDBZTXNCIJSSN-UHFFFAOYSA-N 2 2 336.480 1.389 20 0 EDADLP CCN(CCC(F)(F)F)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000677577779 487123036 /nfs/dbraw/zinc/12/30/36/487123036.db2.gz MJFLREQEYGSMEC-UHFFFAOYSA-N 2 2 338.418 1.996 20 0 EDADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668162700 487126184 /nfs/dbraw/zinc/12/61/84/487126184.db2.gz FYNJOGABCGTNFA-HNNXBMFYSA-N 2 2 333.436 1.857 20 0 EDADLP OCc1cn([C@@H]2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nn1 ZINC000668193896 487137849 /nfs/dbraw/zinc/13/78/49/487137849.db2.gz SNKPHDXFEDPDKG-MRXNPFEDSA-N 2 2 339.403 1.188 20 0 EDADLP OCc1cn([C@@H]2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nn1 ZINC000668193896 487137857 /nfs/dbraw/zinc/13/78/57/487137857.db2.gz SNKPHDXFEDPDKG-MRXNPFEDSA-N 2 2 339.403 1.188 20 0 EDADLP COCC1([N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000677728074 487159159 /nfs/dbraw/zinc/15/91/59/487159159.db2.gz AQPULGKYCBTDQF-UHFFFAOYSA-N 2 2 347.459 1.568 20 0 EDADLP COCC1([N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000677728074 487159162 /nfs/dbraw/zinc/15/91/62/487159162.db2.gz AQPULGKYCBTDQF-UHFFFAOYSA-N 2 2 347.459 1.568 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000684844379 487175363 /nfs/dbraw/zinc/17/53/63/487175363.db2.gz KIYRXXQBPWJKIT-LJQANCHMSA-N 2 2 344.459 1.514 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000685005425 487212430 /nfs/dbraw/zinc/21/24/30/487212430.db2.gz FDAFEEYIOVUAKC-QGZVFWFLSA-N 2 2 333.480 1.548 20 0 EDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)CC1 ZINC000685005425 487212434 /nfs/dbraw/zinc/21/24/34/487212434.db2.gz FDAFEEYIOVUAKC-QGZVFWFLSA-N 2 2 333.480 1.548 20 0 EDADLP Cc1[nH+]c2ccccn2c1[C@H]1C(=O)NCCN1CCn1cc[nH+]c1C ZINC000677984302 487220253 /nfs/dbraw/zinc/22/02/53/487220253.db2.gz SCRDURIUVLVYDR-KRWDZBQOSA-N 2 2 338.415 1.321 20 0 EDADLP CN(CC1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678065650 487237886 /nfs/dbraw/zinc/23/78/86/487237886.db2.gz CGFQCTCDRXOEGO-INIZCTEOSA-N 2 2 338.496 1.223 20 0 EDADLP CN(CC1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678065650 487237890 /nfs/dbraw/zinc/23/78/90/487237890.db2.gz CGFQCTCDRXOEGO-INIZCTEOSA-N 2 2 338.496 1.223 20 0 EDADLP COC1CC[NH+](CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000674329420 487238882 /nfs/dbraw/zinc/23/88/82/487238882.db2.gz ZIPDEJKVBDIJDN-UHFFFAOYSA-N 2 2 335.452 1.058 20 0 EDADLP CCN1C(=O)[C@H]2C[N@H+](Cc3c[nH+]c4ccc(Cl)cn34)CCN2C1=O ZINC000678333373 487290869 /nfs/dbraw/zinc/29/08/69/487290869.db2.gz AFDZAZMYJMVDMR-CYBMUJFWSA-N 2 2 347.806 1.456 20 0 EDADLP CCN1C(=O)[C@H]2C[N@@H+](Cc3c[nH+]c4ccc(Cl)cn34)CCN2C1=O ZINC000678333373 487290872 /nfs/dbraw/zinc/29/08/72/487290872.db2.gz AFDZAZMYJMVDMR-CYBMUJFWSA-N 2 2 347.806 1.456 20 0 EDADLP CC1(C)CN(Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1CCO ZINC000682087089 487299661 /nfs/dbraw/zinc/29/96/61/487299661.db2.gz ISQVNIGNSGGHKA-UHFFFAOYSA-N 2 2 328.460 1.820 20 0 EDADLP CC1(C)CN(Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1CCO ZINC000682087089 487299664 /nfs/dbraw/zinc/29/96/64/487299664.db2.gz ISQVNIGNSGGHKA-UHFFFAOYSA-N 2 2 328.460 1.820 20 0 EDADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000527248081 487308185 /nfs/dbraw/zinc/30/81/85/487308185.db2.gz PXDXUBARXAIJJB-MAUKXSAKSA-N 2 2 342.443 1.748 20 0 EDADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000527248081 487308189 /nfs/dbraw/zinc/30/81/89/487308189.db2.gz PXDXUBARXAIJJB-MAUKXSAKSA-N 2 2 342.443 1.748 20 0 EDADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000527248081 487308193 /nfs/dbraw/zinc/30/81/93/487308193.db2.gz PXDXUBARXAIJJB-MAUKXSAKSA-N 2 2 342.443 1.748 20 0 EDADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000527248081 487308198 /nfs/dbraw/zinc/30/81/98/487308198.db2.gz PXDXUBARXAIJJB-MAUKXSAKSA-N 2 2 342.443 1.748 20 0 EDADLP COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000678517478 487325421 /nfs/dbraw/zinc/32/54/21/487325421.db2.gz ZSNBRAKLLKRNLW-QGZVFWFLSA-N 2 2 331.460 1.996 20 0 EDADLP COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000678517478 487325424 /nfs/dbraw/zinc/32/54/24/487325424.db2.gz ZSNBRAKLLKRNLW-QGZVFWFLSA-N 2 2 331.460 1.996 20 0 EDADLP O=C1[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CCN1C1CCOCC1 ZINC000678594911 487339481 /nfs/dbraw/zinc/33/94/81/487339481.db2.gz QBYLXDXTWOWFFZ-QGZVFWFLSA-N 2 2 344.459 1.420 20 0 EDADLP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000682373615 487356205 /nfs/dbraw/zinc/35/62/05/487356205.db2.gz SVSKPSMZQYQLBC-UHFFFAOYSA-N 2 2 329.366 1.877 20 0 EDADLP CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000675330344 487399198 /nfs/dbraw/zinc/39/91/98/487399198.db2.gz KEDGGJILVWASRA-MRXNPFEDSA-N 2 2 346.475 1.767 20 0 EDADLP CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccn1 ZINC000675330344 487399201 /nfs/dbraw/zinc/39/92/01/487399201.db2.gz KEDGGJILVWASRA-MRXNPFEDSA-N 2 2 346.475 1.767 20 0 EDADLP C[NH+](C)CCOc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)ccn1 ZINC000679722347 487461598 /nfs/dbraw/zinc/46/15/98/487461598.db2.gz AZUKWSHZOLEBIP-UHFFFAOYSA-N 2 2 325.372 1.922 20 0 EDADLP CC[C@H]1CN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC[C@H]1[NH3+] ZINC000669512047 485477255 /nfs/dbraw/zinc/47/72/55/485477255.db2.gz TUSKCMQLRALMOD-GOEBONIOSA-N 2 2 329.448 1.954 20 0 EDADLP C[C@H](CSc1ccc(F)cc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572118166 485979845 /nfs/dbraw/zinc/97/98/45/485979845.db2.gz XDWISNRFZQAFDG-TZMCWYRMSA-N 2 2 325.453 1.655 20 0 EDADLP C[C@H](CSc1ccc(F)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572118166 485979851 /nfs/dbraw/zinc/97/98/51/485979851.db2.gz XDWISNRFZQAFDG-TZMCWYRMSA-N 2 2 325.453 1.655 20 0 EDADLP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000345764631 485980778 /nfs/dbraw/zinc/98/07/78/485980778.db2.gz VYVWIECFBZERJW-BBWFWOEESA-N 2 2 346.475 1.624 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4cccnc4n3)C2)CC1 ZINC000668639774 485982381 /nfs/dbraw/zinc/98/23/81/485982381.db2.gz LOGAGKHCWRVMRJ-OAHLLOKOSA-N 2 2 339.443 1.528 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4cccnc4n3)C2)CC1 ZINC000668639774 485982386 /nfs/dbraw/zinc/98/23/86/485982386.db2.gz LOGAGKHCWRVMRJ-OAHLLOKOSA-N 2 2 339.443 1.528 20 0 EDADLP Cc1csc([C@@H](C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640466 485984759 /nfs/dbraw/zinc/98/47/59/485984759.db2.gz RWAHRUIZIZNVHO-KBPBESRZSA-N 2 2 336.505 1.840 20 0 EDADLP Cc1csc([C@@H](C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000668640466 485984764 /nfs/dbraw/zinc/98/47/64/485984764.db2.gz RWAHRUIZIZNVHO-KBPBESRZSA-N 2 2 336.505 1.840 20 0 EDADLP NC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000515165236 486056538 /nfs/dbraw/zinc/05/65/38/486056538.db2.gz OUFIQQBDZRBLDR-QGZVFWFLSA-N 2 2 343.406 1.489 20 0 EDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000668745327 486119524 /nfs/dbraw/zinc/11/95/24/486119524.db2.gz MZLYXBAVFAITNX-GOSISDBHSA-N 2 2 346.475 1.460 20 0 EDADLP CCCCOc1ncccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669415428 486128522 /nfs/dbraw/zinc/12/85/22/486128522.db2.gz KSQBJHVXEZITCM-HNNXBMFYSA-N 2 2 335.452 1.045 20 0 EDADLP CCCCOc1ncccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669415428 486128526 /nfs/dbraw/zinc/12/85/26/486128526.db2.gz KSQBJHVXEZITCM-HNNXBMFYSA-N 2 2 335.452 1.045 20 0 EDADLP CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668139866 486177481 /nfs/dbraw/zinc/17/74/81/486177481.db2.gz MEEFPMMPNZREKG-INIZCTEOSA-N 2 2 349.460 1.123 20 0 EDADLP CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668139866 486177487 /nfs/dbraw/zinc/17/74/87/486177487.db2.gz MEEFPMMPNZREKG-INIZCTEOSA-N 2 2 349.460 1.123 20 0 EDADLP CN(c1ccccc1C[N@@H+]1CCc2nn[nH]c2C1)C1CC[NH+](C)CC1 ZINC000668791327 486200759 /nfs/dbraw/zinc/20/07/59/486200759.db2.gz HZQFWMGMOXJPTO-UHFFFAOYSA-N 2 2 340.475 1.893 20 0 EDADLP CN(c1ccccc1C[N@H+]1CCc2nn[nH]c2C1)C1CC[NH+](C)CC1 ZINC000668791327 486200763 /nfs/dbraw/zinc/20/07/63/486200763.db2.gz HZQFWMGMOXJPTO-UHFFFAOYSA-N 2 2 340.475 1.893 20 0 EDADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC/C=C\C[NH3+])c1ccc(Cl)cc1 ZINC000668852894 486261159 /nfs/dbraw/zinc/26/11/59/486261159.db2.gz JZTHCKGNJJAEIT-SFAKSCPVSA-N 2 2 333.823 1.977 20 0 EDADLP Cc1cccn2cc(CCNC(=O)NCCC3=CC[NH2+]CC3)[nH+]c12 ZINC000669511852 486295016 /nfs/dbraw/zinc/29/50/16/486295016.db2.gz JRUQTSXQKNNFFA-UHFFFAOYSA-N 2 2 327.432 1.794 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000601323650 486317586 /nfs/dbraw/zinc/31/75/86/486317586.db2.gz DACVNBZASVALBK-RHSMWYFYSA-N 2 2 347.459 1.681 20 0 EDADLP COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000601323650 486317592 /nfs/dbraw/zinc/31/75/92/486317592.db2.gz DACVNBZASVALBK-RHSMWYFYSA-N 2 2 347.459 1.681 20 0 EDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@H]1CCC[NH2+]CC1 ZINC000668931528 486357040 /nfs/dbraw/zinc/35/70/40/486357040.db2.gz HPDFXCPPGVFIMT-KRWDZBQOSA-N 2 2 327.432 1.873 20 0 EDADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000669955502 486529460 /nfs/dbraw/zinc/52/94/60/486529460.db2.gz NRZTYUBQKUTPOT-OAHLLOKOSA-N 2 2 343.431 1.910 20 0 EDADLP O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000489246428 486573790 /nfs/dbraw/zinc/57/37/90/486573790.db2.gz BRTNMMFLJQSOMA-HXUWFJFHSA-N 2 2 343.471 1.178 20 0 EDADLP C[C@@H]1C[NH+](C[C@H](O)COc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC000305350857 491011317 /nfs/dbraw/zinc/01/13/17/491011317.db2.gz WFUYEYYRFMQYHK-INMHGKMJSA-N 2 2 331.416 1.721 20 0 EDADLP [NH3+][C@H]1CCCCN(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1=O ZINC000649315043 491168940 /nfs/dbraw/zinc/16/89/40/491168940.db2.gz GHNNLBIIYXBKFE-AWEZNQCLSA-N 2 2 327.388 1.355 20 0 EDADLP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C)C[NH+]1CCOCC1 ZINC000187255312 534061888 /nfs/dbraw/zinc/06/18/88/534061888.db2.gz TZNNOQFECBZSLX-HNNXBMFYSA-N 2 2 331.460 1.654 20 0 EDADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000171669760 534342368 /nfs/dbraw/zinc/34/23/68/534342368.db2.gz MKFUPAVLHKBLFI-UHFFFAOYSA-N 2 2 346.475 1.228 20 0 EDADLP c1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000176951292 534530388 /nfs/dbraw/zinc/53/03/88/534530388.db2.gz FFAJURRCZPMMOH-MRXNPFEDSA-N 2 2 331.464 1.625 20 0 EDADLP Cc1nc(N2CCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc[nH+]1 ZINC000129117974 534754219 /nfs/dbraw/zinc/75/42/19/534754219.db2.gz XLFVRVPKLDZDSV-KKUMJFAQSA-N 2 2 331.464 1.695 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)nc12 ZINC000129688689 534840006 /nfs/dbraw/zinc/84/00/06/534840006.db2.gz ZLZFMUJKYTVSBT-INIZCTEOSA-N 2 2 342.443 1.157 20 0 EDADLP Cc1cccn2c(=O)cc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)nc12 ZINC000129688689 534840011 /nfs/dbraw/zinc/84/00/11/534840011.db2.gz ZLZFMUJKYTVSBT-INIZCTEOSA-N 2 2 342.443 1.157 20 0 EDADLP Brc1cncc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000166909834 526651024 /nfs/dbraw/zinc/65/10/24/526651024.db2.gz UEGFHMXXXWKDBI-KGLIPLIRSA-N 2 2 326.238 1.797 20 0 EDADLP Brc1cncc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000166909834 526651029 /nfs/dbraw/zinc/65/10/29/526651029.db2.gz UEGFHMXXXWKDBI-KGLIPLIRSA-N 2 2 326.238 1.797 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(=O)OC)s3)C2)CC1 ZINC000131315657 529152795 /nfs/dbraw/zinc/15/27/95/529152795.db2.gz IOFDWINCOSXPDG-AWEZNQCLSA-N 2 2 337.489 1.747 20 0 EDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(=O)OC)s3)C2)CC1 ZINC000131315657 529152796 /nfs/dbraw/zinc/15/27/96/529152796.db2.gz IOFDWINCOSXPDG-AWEZNQCLSA-N 2 2 337.489 1.747 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000171743040 529158495 /nfs/dbraw/zinc/15/84/95/529158495.db2.gz GRQBPVQBIIIQRC-SFHVURJKSA-N 2 2 346.519 1.651 20 0 EDADLP CC[C@H](C)NC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000171743040 529158498 /nfs/dbraw/zinc/15/84/98/529158498.db2.gz GRQBPVQBIIIQRC-SFHVURJKSA-N 2 2 346.519 1.651 20 0 EDADLP CCC(CC)[C@H](CNC(=O)N1CC[NH+](CC)CC1)[NH+]1CCOCC1 ZINC000079108870 535141404 /nfs/dbraw/zinc/14/14/04/535141404.db2.gz FIPRJLDDBXDDRB-KRWDZBQOSA-N 2 2 340.512 1.471 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1)C2 ZINC000347203811 535381770 /nfs/dbraw/zinc/38/17/70/535381770.db2.gz PYWFEDIOCZEXOP-HUUCEWRRSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@H+]([C@H](C)CO)CC1)C2 ZINC000347203811 535381772 /nfs/dbraw/zinc/38/17/72/535381772.db2.gz PYWFEDIOCZEXOP-HUUCEWRRSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1)CC2 ZINC000347203811 535381773 /nfs/dbraw/zinc/38/17/73/535381773.db2.gz PYWFEDIOCZEXOP-HUUCEWRRSA-N 2 2 348.491 1.553 20 0 EDADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+]([C@H](C)CO)CC1)CC2 ZINC000347203811 535381774 /nfs/dbraw/zinc/38/17/74/535381774.db2.gz PYWFEDIOCZEXOP-HUUCEWRRSA-N 2 2 348.491 1.553 20 0 EDADLP CCC[C@@](C)([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000262662606 535526232 /nfs/dbraw/zinc/52/62/32/535526232.db2.gz ZINRCEDWCLCJGW-GOSISDBHSA-N 2 2 329.448 1.496 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000246010390 535639557 /nfs/dbraw/zinc/63/95/57/535639557.db2.gz JIESKTKUILUSIV-FUHWJXTLSA-N 2 2 330.476 1.725 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000246010390 535639562 /nfs/dbraw/zinc/63/95/62/535639562.db2.gz JIESKTKUILUSIV-FUHWJXTLSA-N 2 2 330.476 1.725 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)nc1 ZINC000346802603 535691271 /nfs/dbraw/zinc/69/12/71/535691271.db2.gz DGMQQRQDYXZVDI-UKRRQHHQSA-N 2 2 332.448 1.519 20 0 EDADLP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)nc1 ZINC000346802603 535691273 /nfs/dbraw/zinc/69/12/73/535691273.db2.gz DGMQQRQDYXZVDI-UKRRQHHQSA-N 2 2 332.448 1.519 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000346147987 535739219 /nfs/dbraw/zinc/73/92/19/535739219.db2.gz KFJPWUVGTDDYJS-IEBWSBKVSA-N 2 2 344.503 1.403 20 0 EDADLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000346147987 535739224 /nfs/dbraw/zinc/73/92/24/535739224.db2.gz KFJPWUVGTDDYJS-IEBWSBKVSA-N 2 2 344.503 1.403 20 0 EDADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)[C@@H](C)C1 ZINC000249129460 535766087 /nfs/dbraw/zinc/76/60/87/535766087.db2.gz CWFFQNWPAVMAAK-BLLLJJGKSA-N 2 2 332.448 1.826 20 0 EDADLP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)[nH+]c2C)[C@@H](C)C1 ZINC000249129460 535766093 /nfs/dbraw/zinc/76/60/93/535766093.db2.gz CWFFQNWPAVMAAK-BLLLJJGKSA-N 2 2 332.448 1.826 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CC(=O)N2Cc3ccccc3C2)s1 ZINC000352715133 536058182 /nfs/dbraw/zinc/05/81/82/536058182.db2.gz ZAFRIGDXGBDUIF-UHFFFAOYSA-N 2 2 330.457 1.837 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)s1 ZINC000352777078 536059649 /nfs/dbraw/zinc/05/96/49/536059649.db2.gz ABEYTKJEIVMKQH-CYBMUJFWSA-N 2 2 332.477 1.753 20 0 EDADLP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340387516 536087273 /nfs/dbraw/zinc/08/72/73/536087273.db2.gz HGVKOTBNSILPQE-HZPDHXFCSA-N 2 2 325.478 1.303 20 0 EDADLP CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340387516 536087274 /nfs/dbraw/zinc/08/72/74/536087274.db2.gz HGVKOTBNSILPQE-HZPDHXFCSA-N 2 2 325.478 1.303 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cn2)CC1 ZINC000092043443 536425361 /nfs/dbraw/zinc/42/53/61/536425361.db2.gz VDLZKZXMLGKWKU-QZTJIDSGSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cn2)CC1 ZINC000092043443 536425367 /nfs/dbraw/zinc/42/53/67/536425367.db2.gz VDLZKZXMLGKWKU-QZTJIDSGSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cn2)CC1 ZINC000092043443 536425368 /nfs/dbraw/zinc/42/53/68/536425368.db2.gz VDLZKZXMLGKWKU-QZTJIDSGSA-N 3 2 344.507 1.145 20 0 EDADLP C[NH+]1CCN(c2ncc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cn2)CC1 ZINC000092043443 536425369 /nfs/dbraw/zinc/42/53/69/536425369.db2.gz VDLZKZXMLGKWKU-QZTJIDSGSA-N 3 2 344.507 1.145 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCS(N)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000740878482 579387993 /nfs/dbraw/zinc/38/79/93/579387993.db2.gz ILEGMORSHLFNND-GDBMZVCRSA-N 2 2 325.478 1.260 20 0 EDADLP C[C@@H]1C[C@H]([NH+](C)CCS(N)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC000740878482 579387994 /nfs/dbraw/zinc/38/79/94/579387994.db2.gz ILEGMORSHLFNND-GDBMZVCRSA-N 2 2 325.478 1.260 20 0 EDADLP C[C@@H]1C[C@H]([N@H+](C)CCS(N)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000740878482 579387995 /nfs/dbraw/zinc/38/79/95/579387995.db2.gz ILEGMORSHLFNND-GDBMZVCRSA-N 2 2 325.478 1.260 20 0 EDADLP C[C@@H]1C[C@H]([N@@H+](C)CCS(N)(=O)=O)CC[NH+]1Cc1ccccc1 ZINC000740878482 579387996 /nfs/dbraw/zinc/38/79/96/579387996.db2.gz ILEGMORSHLFNND-GDBMZVCRSA-N 2 2 325.478 1.260 20 0 EDADLP O=C(NCCO)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000725796279 578282296 /nfs/dbraw/zinc/28/22/96/578282296.db2.gz HZMMNBDLUGMPGS-UHFFFAOYSA-N 2 2 328.416 1.193 20 0 EDADLP CC(C)c1[nH+]ccn1CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000725892456 578299630 /nfs/dbraw/zinc/29/96/30/578299630.db2.gz BQYLNDFEUUXOIM-UHFFFAOYSA-N 2 2 325.376 1.412 20 0 EDADLP CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000725897064 578301848 /nfs/dbraw/zinc/30/18/48/578301848.db2.gz QCJDIQHGOVSGBB-CABCVRRESA-N 2 2 342.443 1.578 20 0 EDADLP CC[NH+]1CCC(CNC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000726251368 578337777 /nfs/dbraw/zinc/33/77/77/578337777.db2.gz GRYGTGMNPAOGMH-UHFFFAOYSA-N 2 2 342.447 1.798 20 0 EDADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC000726256555 578339276 /nfs/dbraw/zinc/33/92/76/578339276.db2.gz YMTHWXPXVAHPHO-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCO1 ZINC000726256555 578339278 /nfs/dbraw/zinc/33/92/78/578339278.db2.gz YMTHWXPXVAHPHO-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000729919835 578599225 /nfs/dbraw/zinc/59/92/25/578599225.db2.gz FWRQDKACOMKTNT-CYBMUJFWSA-N 2 2 340.387 1.741 20 0 EDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000729919835 578599227 /nfs/dbraw/zinc/59/92/27/578599227.db2.gz FWRQDKACOMKTNT-CYBMUJFWSA-N 2 2 340.387 1.741 20 0 EDADLP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000729925853 578601919 /nfs/dbraw/zinc/60/19/19/578601919.db2.gz WMCOLYQCILZMKI-HZPDHXFCSA-N 2 2 325.416 1.966 20 0 EDADLP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000729925853 578601920 /nfs/dbraw/zinc/60/19/20/578601920.db2.gz WMCOLYQCILZMKI-HZPDHXFCSA-N 2 2 325.416 1.966 20 0 EDADLP C[NH+]1CCC(CNC(=S)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000760476286 580031617 /nfs/dbraw/zinc/03/16/17/580031617.db2.gz RSMCAOBMFQIQSY-UHFFFAOYSA-N 2 2 335.521 1.568 20 0 EDADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000732460751 578713869 /nfs/dbraw/zinc/71/38/69/578713869.db2.gz WHMZZAGUIAWOEM-MRXNPFEDSA-N 2 2 342.447 1.939 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)NCc3ccccc3)C2)CC1 ZINC000732720288 578725582 /nfs/dbraw/zinc/72/55/82/578725582.db2.gz HSAAEBHLBLJJPC-MRXNPFEDSA-N 2 2 332.517 1.819 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)NCc3ccccc3)C2)CC1 ZINC000732720288 578725583 /nfs/dbraw/zinc/72/55/83/578725583.db2.gz HSAAEBHLBLJJPC-MRXNPFEDSA-N 2 2 332.517 1.819 20 0 EDADLP CNC(=O)C1([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CCCC1 ZINC000733999334 578793110 /nfs/dbraw/zinc/79/31/10/578793110.db2.gz GMHDRPSLCTVINV-OAHLLOKOSA-N 2 2 344.459 1.662 20 0 EDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000734263980 578805515 /nfs/dbraw/zinc/80/55/15/578805515.db2.gz QWIDHJZEGCAYHI-NEPJUHHUSA-N 2 2 349.306 1.648 20 0 EDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC000734263980 578805516 /nfs/dbraw/zinc/80/55/16/578805516.db2.gz QWIDHJZEGCAYHI-NEPJUHHUSA-N 2 2 349.306 1.648 20 0 EDADLP CCOC(=O)C1=C(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)NC(=O)N[C@@H]1C ZINC000735871278 578930921 /nfs/dbraw/zinc/93/09/21/578930921.db2.gz YJZWKZJMVHBBKY-LLVKDONJSA-N 2 2 347.419 1.108 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000737044189 579043062 /nfs/dbraw/zinc/04/30/62/579043062.db2.gz MFTBDLGANISICS-HOTGVXAUSA-N 2 2 349.479 1.513 20 0 EDADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000737044189 579043063 /nfs/dbraw/zinc/04/30/63/579043063.db2.gz MFTBDLGANISICS-HOTGVXAUSA-N 2 2 349.479 1.513 20 0 EDADLP O=C1NC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738157788 579166089 /nfs/dbraw/zinc/16/60/89/579166089.db2.gz JGUVQSFMUJNPSH-AWEZNQCLSA-N 2 2 331.420 1.732 20 0 EDADLP O=C1NC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000738157788 579166090 /nfs/dbraw/zinc/16/60/90/579166090.db2.gz JGUVQSFMUJNPSH-AWEZNQCLSA-N 2 2 331.420 1.732 20 0 EDADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000746002937 579569530 /nfs/dbraw/zinc/56/95/30/579569530.db2.gz NUNKKSLMKWZUJM-JKSUJKDBSA-N 2 2 348.466 1.499 20 0 EDADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000746002937 579569531 /nfs/dbraw/zinc/56/95/31/579569531.db2.gz NUNKKSLMKWZUJM-JKSUJKDBSA-N 2 2 348.466 1.499 20 0 EDADLP CC[N@@H+](Cc1ccc(C)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000746028054 579570406 /nfs/dbraw/zinc/57/04/06/579570406.db2.gz FFGROHWMLONMSF-UHFFFAOYSA-N 2 2 344.459 1.791 20 0 EDADLP CC[N@H+](Cc1ccc(C)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000746028054 579570407 /nfs/dbraw/zinc/57/04/07/579570407.db2.gz FFGROHWMLONMSF-UHFFFAOYSA-N 2 2 344.459 1.791 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(F)n1 ZINC000749238231 579718752 /nfs/dbraw/zinc/71/87/52/579718752.db2.gz YRCAAHGKZPNURG-UHFFFAOYSA-N 2 2 337.443 1.388 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(F)n1 ZINC000749238231 579718753 /nfs/dbraw/zinc/71/87/53/579718753.db2.gz YRCAAHGKZPNURG-UHFFFAOYSA-N 2 2 337.443 1.388 20 0 EDADLP O=C1NCCN1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000750039552 579749435 /nfs/dbraw/zinc/74/94/35/579749435.db2.gz PUGZXQVPDMQXCG-UHFFFAOYSA-N 2 2 326.404 1.257 20 0 EDADLP Cn1c(CO)nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755782213 579934936 /nfs/dbraw/zinc/93/49/36/579934936.db2.gz YONOEULVTBFBEB-CYBMUJFWSA-N 2 2 325.482 1.065 20 0 EDADLP Cn1c(CO)nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755782213 579934937 /nfs/dbraw/zinc/93/49/37/579934937.db2.gz YONOEULVTBFBEB-CYBMUJFWSA-N 2 2 325.482 1.065 20 0 EDADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125433 579944014 /nfs/dbraw/zinc/94/40/14/579944014.db2.gz CRUPRTCAEBOULI-LERXQTSPSA-N 2 2 326.824 1.684 20 0 EDADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125433 579944015 /nfs/dbraw/zinc/94/40/15/579944015.db2.gz CRUPRTCAEBOULI-LERXQTSPSA-N 2 2 326.824 1.684 20 0 EDADLP C[C@@H]1C[N@H+](CN2C(=O)[C@@H]3CCCCC[C@H]32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763336663 580098059 /nfs/dbraw/zinc/09/80/59/580098059.db2.gz NAIYVHLKCOHBJF-NCXUSEDFSA-N 2 2 348.535 1.693 20 0 EDADLP C[C@@H]1C[N@@H+](CN2C(=O)[C@@H]3CCCCC[C@H]32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763336663 580098060 /nfs/dbraw/zinc/09/80/60/580098060.db2.gz NAIYVHLKCOHBJF-NCXUSEDFSA-N 2 2 348.535 1.693 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000763983469 580109809 /nfs/dbraw/zinc/10/98/09/580109809.db2.gz PIPWZCHPOQXJAJ-HNNXBMFYSA-N 2 2 345.472 1.629 20 0 EDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000763983469 580109810 /nfs/dbraw/zinc/10/98/10/580109810.db2.gz PIPWZCHPOQXJAJ-HNNXBMFYSA-N 2 2 345.472 1.629 20 0 EDADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764470064 580121115 /nfs/dbraw/zinc/12/11/15/580121115.db2.gz SPUZUKWTUYQZBY-MAUKXSAKSA-N 2 2 346.475 1.289 20 0 EDADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764470064 580121116 /nfs/dbraw/zinc/12/11/16/580121116.db2.gz SPUZUKWTUYQZBY-MAUKXSAKSA-N 2 2 346.475 1.289 20 0 EDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)CCO2 ZINC000766022640 580156951 /nfs/dbraw/zinc/15/69/51/580156951.db2.gz GKZALXPRVSITSQ-VQIMIIECSA-N 2 2 345.487 1.679 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)C2=O ZINC000766120815 580159649 /nfs/dbraw/zinc/15/96/49/580159649.db2.gz UBBVXDAZLIZDGS-NSHDSACASA-N 2 2 348.369 1.234 20 0 EDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)C2=O ZINC000766120815 580159650 /nfs/dbraw/zinc/15/96/50/580159650.db2.gz UBBVXDAZLIZDGS-NSHDSACASA-N 2 2 348.369 1.234 20 0 EDADLP Cn1cc([C@@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cn1 ZINC000766184174 580161173 /nfs/dbraw/zinc/16/11/73/580161173.db2.gz OBEVNRGLQJPGEK-IBGZPJMESA-N 2 2 343.475 1.778 20 0 EDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC[C@@H]21 ZINC000766984427 580179103 /nfs/dbraw/zinc/17/91/03/580179103.db2.gz ZOGKZUXADRSORI-WBMJQRKESA-N 2 2 343.431 1.623 20 0 EDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC[C@@H]21 ZINC000766984427 580179104 /nfs/dbraw/zinc/17/91/04/580179104.db2.gz ZOGKZUXADRSORI-WBMJQRKESA-N 2 2 343.431 1.623 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC[C@@H]21 ZINC000766984427 580179105 /nfs/dbraw/zinc/17/91/05/580179105.db2.gz ZOGKZUXADRSORI-WBMJQRKESA-N 2 2 343.431 1.623 20 0 EDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC[C@@H]21 ZINC000766984427 580179106 /nfs/dbraw/zinc/17/91/06/580179106.db2.gz ZOGKZUXADRSORI-WBMJQRKESA-N 2 2 343.431 1.623 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCOC[C@H]3CCO)c2cc1C ZINC000767589506 580193863 /nfs/dbraw/zinc/19/38/63/580193863.db2.gz CNGAEAJCOCBACI-CVEARBPZSA-N 2 2 333.432 1.097 20 0 EDADLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCOC[C@H]3CCO)c2cc1C ZINC000767589506 580193864 /nfs/dbraw/zinc/19/38/64/580193864.db2.gz CNGAEAJCOCBACI-CVEARBPZSA-N 2 2 333.432 1.097 20 0 EDADLP CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000775752644 580399585 /nfs/dbraw/zinc/39/95/85/580399585.db2.gz CDFIMWBNDFHLJW-MRXNPFEDSA-N 2 2 337.464 1.263 20 0 EDADLP CC(C)C[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000775752644 580399586 /nfs/dbraw/zinc/39/95/86/580399586.db2.gz CDFIMWBNDFHLJW-MRXNPFEDSA-N 2 2 337.464 1.263 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2CC[N@H+](C)C2)C1 ZINC000783568769 580601428 /nfs/dbraw/zinc/60/14/28/580601428.db2.gz FIPMWNLSPRECTD-CYBMUJFWSA-N 2 2 326.437 1.332 20 0 EDADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2CC[N@@H+](C)C2)C1 ZINC000783568769 580601429 /nfs/dbraw/zinc/60/14/29/580601429.db2.gz FIPMWNLSPRECTD-CYBMUJFWSA-N 2 2 326.437 1.332 20 0 EDADLP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000783783572 580606258 /nfs/dbraw/zinc/60/62/58/580606258.db2.gz MRSAZEHKTNWOFQ-JKSUJKDBSA-N 2 2 339.480 1.347 20 0 EDADLP CN(C(=O)c1cnn(C)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000786460800 580671194 /nfs/dbraw/zinc/67/11/94/580671194.db2.gz XIZPBKBDLKRBLN-SJORKVTESA-N 2 2 348.495 1.224 20 0 EDADLP CN(C(=O)c1cnn(C)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000786460800 580671195 /nfs/dbraw/zinc/67/11/95/580671195.db2.gz XIZPBKBDLKRBLN-SJORKVTESA-N 2 2 348.495 1.224 20 0 EDADLP CC(C)N1CC[NH+](CCCOC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000792203279 580813373 /nfs/dbraw/zinc/81/33/73/580813373.db2.gz JANZKUXNISYMDW-IRXDYDNUSA-N 2 2 325.497 1.819 20 0 EDADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000792210839 580813567 /nfs/dbraw/zinc/81/35/67/580813567.db2.gz UQLVOCBQIPLVAR-UHFFFAOYSA-N 2 2 342.443 1.501 20 0 EDADLP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000793523854 580846970 /nfs/dbraw/zinc/84/69/70/580846970.db2.gz FKXPFCBWUHUWNJ-KRWDZBQOSA-N 3 2 342.491 1.986 20 0 EDADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=S)NCC(C)(C)C[NH+](C)C ZINC000795134286 580914101 /nfs/dbraw/zinc/91/41/01/580914101.db2.gz ZHTISVLHJYPPJA-LSDHHAIUSA-N 2 2 342.553 1.244 20 0 EDADLP CC(C)(C)OC(=O)NCC[NH+]1CCC([NH2+][C@@H](CCO)C2CC2)CC1 ZINC000893038177 590630031 /nfs/dbraw/zinc/63/00/31/590630031.db2.gz VYJGZZUNEYTWLP-INIZCTEOSA-N 2 2 341.496 1.726 20 0 EDADLP CC(C)[C@@H](CCO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893055216 590638507 /nfs/dbraw/zinc/63/85/07/590638507.db2.gz ABYOWPZMAFIPMX-MRXNPFEDSA-N 2 2 343.512 1.972 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000891829517 590640984 /nfs/dbraw/zinc/64/09/84/590640984.db2.gz NCUQMYZLGIECIT-OAHLLOKOSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000891829517 590640990 /nfs/dbraw/zinc/64/09/90/590640990.db2.gz NCUQMYZLGIECIT-OAHLLOKOSA-N 2 2 347.463 1.202 20 0 EDADLP C[C@@H]([NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1)[C@H]1CCOC1 ZINC000893072251 590648339 /nfs/dbraw/zinc/64/83/39/590648339.db2.gz ZVLMHHUMZSCOCD-CABCVRRESA-N 2 2 341.496 1.990 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000892006113 590739601 /nfs/dbraw/zinc/73/96/01/590739601.db2.gz WPKLOJQVCDTEAB-MSOLQXFVSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)NC[C@H]3CCC[NH2+]3)C2)cc1 ZINC000892006113 590739605 /nfs/dbraw/zinc/73/96/05/590739605.db2.gz WPKLOJQVCDTEAB-MSOLQXFVSA-N 2 2 346.475 1.247 20 0 EDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000892049390 590771509 /nfs/dbraw/zinc/77/15/09/590771509.db2.gz SXUCVOBZFJIHQC-QZTJIDSGSA-N 2 2 346.475 1.232 20 0 EDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C3CC3)C2)cc1 ZINC000892049390 590771522 /nfs/dbraw/zinc/77/15/22/590771522.db2.gz SXUCVOBZFJIHQC-QZTJIDSGSA-N 2 2 346.475 1.232 20 0 EDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)C1CCSCC1 ZINC000840919638 590809211 /nfs/dbraw/zinc/80/92/11/590809211.db2.gz MKJGTUYMEGZDIG-UHFFFAOYSA-N 2 2 341.521 1.183 20 0 EDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)C1CCSCC1 ZINC000840919638 590809216 /nfs/dbraw/zinc/80/92/16/590809216.db2.gz MKJGTUYMEGZDIG-UHFFFAOYSA-N 2 2 341.521 1.183 20 0 EDADLP C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000892151772 590825028 /nfs/dbraw/zinc/82/50/28/590825028.db2.gz BKRVPWIQLCPJKE-CRAIPNDOSA-N 2 2 331.508 1.367 20 0 EDADLP CN1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)Cc2ccc[nH+]c21 ZINC000892155953 590827051 /nfs/dbraw/zinc/82/70/51/590827051.db2.gz KSVZVRUDOZZWLM-LBPRGKRZSA-N 2 2 325.363 1.040 20 0 EDADLP Cc1cccc2[nH+]c(CCNC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cn21 ZINC000892213881 590867572 /nfs/dbraw/zinc/86/75/72/590867572.db2.gz LRBBRLYLIZUIGF-CVEARBPZSA-N 2 2 327.432 1.721 20 0 EDADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000892257240 590890300 /nfs/dbraw/zinc/89/03/00/590890300.db2.gz ISJKPFCHBSQGAX-HOTGVXAUSA-N 2 2 343.431 1.705 20 0 EDADLP Cc1cc(NCCNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)nc(C(C)C)[nH+]1 ZINC000892282774 590912698 /nfs/dbraw/zinc/91/26/98/590912698.db2.gz NADXMZQJLQOIDY-KDOFPFPSSA-N 2 2 346.479 1.904 20 0 EDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(C)[nH+]c2NC)CC1 ZINC000909397420 590942011 /nfs/dbraw/zinc/94/20/11/590942011.db2.gz RKCRQKRXLWKBSG-UHFFFAOYSA-N 2 2 333.480 1.578 20 0 EDADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891506834 591099973 /nfs/dbraw/zinc/09/99/73/591099973.db2.gz MFSKFWMNXDIDTP-QGZVFWFLSA-N 2 2 348.491 1.357 20 0 EDADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891506834 591099977 /nfs/dbraw/zinc/09/99/77/591099977.db2.gz MFSKFWMNXDIDTP-QGZVFWFLSA-N 2 2 348.491 1.357 20 0 EDADLP CC[NH+](CC)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000891512654 591101809 /nfs/dbraw/zinc/10/18/09/591101809.db2.gz SSGLOWNLWUQINI-MRXNPFEDSA-N 2 2 340.512 1.471 20 0 EDADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000892807671 591187025 /nfs/dbraw/zinc/18/70/25/591187025.db2.gz DNQBXBWNSQTKDZ-KRWDZBQOSA-N 2 2 339.443 1.944 20 0 EDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000892944352 591234485 /nfs/dbraw/zinc/23/44/85/591234485.db2.gz PGKTVGXHNIIOEM-HNNXBMFYSA-N 2 2 345.447 1.553 20 0 EDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1c(C)[nH+]c2ccccn21 ZINC000892944352 591234486 /nfs/dbraw/zinc/23/44/86/591234486.db2.gz PGKTVGXHNIIOEM-HNNXBMFYSA-N 2 2 345.447 1.553 20 0 EDADLP CN(C)c1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc[nH+]1 ZINC000892986133 591246914 /nfs/dbraw/zinc/24/69/14/591246914.db2.gz TVZCBLMDHPFXET-XYPWUTKMSA-N 2 2 330.480 1.290 20 0 EDADLP CN(C)c1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc[nH+]1 ZINC000892986133 591246917 /nfs/dbraw/zinc/24/69/17/591246917.db2.gz TVZCBLMDHPFXET-XYPWUTKMSA-N 2 2 330.480 1.290 20 0 EDADLP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685464 591253195 /nfs/dbraw/zinc/25/31/95/591253195.db2.gz LZQBQECTDIWUII-IEBWSBKVSA-N 2 2 347.503 1.709 20 0 EDADLP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)nc(NC(C)(C)C)n1 ZINC000895771209 591269241 /nfs/dbraw/zinc/26/92/41/591269241.db2.gz VDAQLIPMPVFJES-STQMWFEESA-N 2 2 348.499 1.314 20 0 EDADLP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)nc(NC(C)(C)C)n1 ZINC000895771209 591269248 /nfs/dbraw/zinc/26/92/48/591269248.db2.gz VDAQLIPMPVFJES-STQMWFEESA-N 2 2 348.499 1.314 20 0 EDADLP Cc1cc(Br)cc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)[nH+]1 ZINC000894354688 591287940 /nfs/dbraw/zinc/28/79/40/591287940.db2.gz XLLHDVFOHVAPFX-NSHDSACASA-N 2 2 341.253 1.709 20 0 EDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NC3CCS(=O)(=O)CC3)[nH+]c2)C1 ZINC000894358134 591289190 /nfs/dbraw/zinc/28/91/90/591289190.db2.gz CSTPQVSIMNHWQQ-OAHLLOKOSA-N 2 2 338.477 1.211 20 0 EDADLP COc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000894451424 591315541 /nfs/dbraw/zinc/31/55/41/591315541.db2.gz BNUVLLXRHNSECX-UHFFFAOYSA-N 2 2 332.448 1.076 20 0 EDADLP C[NH+]1CCN(c2ccc(-c3noc(CCc4[nH]cc[nH+]4)n3)cn2)CC1 ZINC000895979587 591317022 /nfs/dbraw/zinc/31/70/22/591317022.db2.gz XCLGQYJNABIWBD-UHFFFAOYSA-N 2 2 339.403 1.392 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[NH+](CCF)C1)[N@@H+]1CCc2ccccc2C1 ZINC000898491767 591377269 /nfs/dbraw/zinc/37/72/69/591377269.db2.gz OCFUHFCOVOYSDF-QAPCUYQASA-N 2 2 333.451 1.983 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[NH+](CCF)C1)[N@H+]1CCc2ccccc2C1 ZINC000898491767 591377272 /nfs/dbraw/zinc/37/72/72/591377272.db2.gz OCFUHFCOVOYSDF-QAPCUYQASA-N 2 2 333.451 1.983 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)[NH+]1CCc2ccccc2C1 ZINC000898491767 591377278 /nfs/dbraw/zinc/37/72/78/591377278.db2.gz OCFUHFCOVOYSDF-QAPCUYQASA-N 2 2 333.451 1.983 20 0 EDADLP C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)[NH+]1CCc2ccccc2C1 ZINC000898491767 591377281 /nfs/dbraw/zinc/37/72/81/591377281.db2.gz OCFUHFCOVOYSDF-QAPCUYQASA-N 2 2 333.451 1.983 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1C ZINC000896335067 591425550 /nfs/dbraw/zinc/42/55/50/591425550.db2.gz UHZGBGDVSHUURG-IAGOWNOFSA-N 2 2 341.459 1.795 20 0 EDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1C ZINC000896335067 591425552 /nfs/dbraw/zinc/42/55/52/591425552.db2.gz UHZGBGDVSHUURG-IAGOWNOFSA-N 2 2 341.459 1.795 20 0 EDADLP CC1(C)CC[N@H+](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000898593279 591428235 /nfs/dbraw/zinc/42/82/35/591428235.db2.gz XIBHALWGWJZJAE-MRXNPFEDSA-N 2 2 332.448 1.976 20 0 EDADLP CC1(C)CC[N@@H+](CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000898593279 591428237 /nfs/dbraw/zinc/42/82/37/591428237.db2.gz XIBHALWGWJZJAE-MRXNPFEDSA-N 2 2 332.448 1.976 20 0 EDADLP COc1nccc(C[NH2+][C@H]2CCc3[nH+]cc(Br)n3C2)n1 ZINC000898720264 591483760 /nfs/dbraw/zinc/48/37/60/591483760.db2.gz LGGIFZLBGILJQD-JTQLQIEISA-N 2 2 338.209 1.549 20 0 EDADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000897482870 591488333 /nfs/dbraw/zinc/48/83/33/591488333.db2.gz GYTGSUITWUNUMC-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000897482870 591488334 /nfs/dbraw/zinc/48/83/34/591488334.db2.gz GYTGSUITWUNUMC-SJORKVTESA-N 2 2 338.496 1.367 20 0 EDADLP CCCCNc1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)nc(N)[nH+]1 ZINC000896524452 591492211 /nfs/dbraw/zinc/49/22/11/591492211.db2.gz VELQIOAMSMONHO-CQSZACIVSA-N 2 2 334.468 1.936 20 0 EDADLP CCCCNc1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)nc(N)[nH+]1 ZINC000896524452 591492216 /nfs/dbraw/zinc/49/22/16/591492216.db2.gz VELQIOAMSMONHO-CQSZACIVSA-N 2 2 334.468 1.936 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC[N@@H+]1CC(C)(C)O ZINC000897500473 591502671 /nfs/dbraw/zinc/50/26/71/591502671.db2.gz WRMBRZZOMMWWIB-CJNGLKHVSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC[N@H+]1CC(C)(C)O ZINC000897500473 591502676 /nfs/dbraw/zinc/50/26/76/591502676.db2.gz WRMBRZZOMMWWIB-CJNGLKHVSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC[NH+]1CC(C)(C)O ZINC000897500473 591502680 /nfs/dbraw/zinc/50/26/80/591502680.db2.gz WRMBRZZOMMWWIB-CJNGLKHVSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC[NH+]1CC(C)(C)O ZINC000897500473 591502684 /nfs/dbraw/zinc/50/26/84/591502684.db2.gz WRMBRZZOMMWWIB-CJNGLKHVSA-N 2 2 349.479 1.094 20 0 EDADLP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896568954 591530895 /nfs/dbraw/zinc/53/08/95/591530895.db2.gz QJWSBIGWXQNDKZ-APWZRJJASA-N 2 2 344.503 1.647 20 0 EDADLP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896568954 591530896 /nfs/dbraw/zinc/53/08/96/591530896.db2.gz QJWSBIGWXQNDKZ-APWZRJJASA-N 2 2 344.503 1.647 20 0 EDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ncccn2)C2CC2)CC1 ZINC000896599369 591546463 /nfs/dbraw/zinc/54/64/63/591546463.db2.gz QPQOQVFZLONZCN-KRWDZBQOSA-N 2 2 332.448 1.935 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C12CCC2 ZINC000898826829 591549693 /nfs/dbraw/zinc/54/96/93/591549693.db2.gz RXFDEXRLJZHZIB-ARFHVFGLSA-N 2 2 331.464 1.779 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C12CCC2 ZINC000898826829 591549696 /nfs/dbraw/zinc/54/96/96/591549696.db2.gz RXFDEXRLJZHZIB-ARFHVFGLSA-N 2 2 331.464 1.779 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C12CCC2 ZINC000898826829 591549699 /nfs/dbraw/zinc/54/96/99/591549699.db2.gz RXFDEXRLJZHZIB-ARFHVFGLSA-N 2 2 331.464 1.779 20 0 EDADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C12CCC2 ZINC000898826829 591549700 /nfs/dbraw/zinc/54/97/00/591549700.db2.gz RXFDEXRLJZHZIB-ARFHVFGLSA-N 2 2 331.464 1.779 20 0 EDADLP CC[C@@H](C)[C@@H](C[NH+]1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1)OC ZINC000897573865 591562870 /nfs/dbraw/zinc/56/28/70/591562870.db2.gz QXHFELPZEPICTN-TZMCWYRMSA-N 2 2 334.468 1.514 20 0 EDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC000897600437 591578360 /nfs/dbraw/zinc/57/83/60/591578360.db2.gz HNCBISVPUBPACH-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC000897600437 591578361 /nfs/dbraw/zinc/57/83/61/591578361.db2.gz HNCBISVPUBPACH-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897600437 591578362 /nfs/dbraw/zinc/57/83/62/591578362.db2.gz HNCBISVPUBPACH-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000897600437 591578364 /nfs/dbraw/zinc/57/83/64/591578364.db2.gz HNCBISVPUBPACH-INIZCTEOSA-N 2 2 349.479 1.359 20 0 EDADLP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1 ZINC000898892199 591582984 /nfs/dbraw/zinc/58/29/84/591582984.db2.gz ONDCXPMEUMTZNK-NVXWUHKLSA-N 2 2 346.431 1.318 20 0 EDADLP COc1cccc2c(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cnn21 ZINC000896841675 591629553 /nfs/dbraw/zinc/62/95/53/591629553.db2.gz VJIZOGNSAPYETE-UHFFFAOYSA-N 2 2 345.447 1.099 20 0 EDADLP CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)n1 ZINC000897704012 591632337 /nfs/dbraw/zinc/63/23/37/591632337.db2.gz ULOUVKQKXVDETD-KFWWJZLASA-N 2 2 333.480 1.957 20 0 EDADLP CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)n1 ZINC000897704012 591632341 /nfs/dbraw/zinc/63/23/41/591632341.db2.gz ULOUVKQKXVDETD-KFWWJZLASA-N 2 2 333.480 1.957 20 0 EDADLP C[C@H]1CN(c2cc[nH+]cc2)CCN1c1nc(N)[nH+]c(C(C)(C)C)n1 ZINC000895245996 591678916 /nfs/dbraw/zinc/67/89/16/591678916.db2.gz VOARNJWHHVNAEU-LBPRGKRZSA-N 2 2 327.436 1.861 20 0 EDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCSC(C)(C)C1 ZINC000897856695 591680193 /nfs/dbraw/zinc/68/01/93/591680193.db2.gz QCYRWOLFELNIDS-CQSZACIVSA-N 2 2 330.542 1.843 20 0 EDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCSC(C)(C)C1 ZINC000897856695 591680194 /nfs/dbraw/zinc/68/01/94/591680194.db2.gz QCYRWOLFELNIDS-CQSZACIVSA-N 2 2 330.542 1.843 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000896987570 591705377 /nfs/dbraw/zinc/70/53/77/591705377.db2.gz CPAWDARGZQZBII-QGZVFWFLSA-N 3 2 347.507 1.554 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c[nH+]1 ZINC000896987570 591705378 /nfs/dbraw/zinc/70/53/78/591705378.db2.gz CPAWDARGZQZBII-QGZVFWFLSA-N 3 2 347.507 1.554 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000896987570 591705379 /nfs/dbraw/zinc/70/53/79/591705379.db2.gz CPAWDARGZQZBII-QGZVFWFLSA-N 2 2 347.507 1.554 20 0 EDADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000896987570 591705380 /nfs/dbraw/zinc/70/53/80/591705380.db2.gz CPAWDARGZQZBII-QGZVFWFLSA-N 2 2 347.507 1.554 20 0 EDADLP C[NH+](C)Cc1cnc(C[NH2+]CCN2C[C@H]3CCCCN3C2=O)s1 ZINC000895343756 591721879 /nfs/dbraw/zinc/72/18/79/591721879.db2.gz LGHXOCQOOZTAPR-CYBMUJFWSA-N 2 2 337.493 1.584 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc(OC)c1O ZINC000897229851 591779590 /nfs/dbraw/zinc/77/95/90/591779590.db2.gz XOMBGNWVEWGWSO-HNNXBMFYSA-N 2 2 336.432 1.752 20 0 EDADLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc(OC)c1O ZINC000897229851 591779593 /nfs/dbraw/zinc/77/95/93/591779593.db2.gz XOMBGNWVEWGWSO-HNNXBMFYSA-N 2 2 336.432 1.752 20 0 EDADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000895495258 591781560 /nfs/dbraw/zinc/78/15/60/591781560.db2.gz PRYBOSDCJVOLFO-MRXNPFEDSA-N 2 2 335.473 1.113 20 0 EDADLP CC1(C)CC[N@@H+](CCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000897249611 591786107 /nfs/dbraw/zinc/78/61/07/591786107.db2.gz WZBDXIJRTRXHPC-OAHLLOKOSA-N 2 2 333.480 1.829 20 0 EDADLP CC1(C)CC[N@@H+](CCNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000897249610 591786442 /nfs/dbraw/zinc/78/64/42/591786442.db2.gz WZBDXIJRTRXHPC-HNNXBMFYSA-N 2 2 333.480 1.829 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000895551912 591798555 /nfs/dbraw/zinc/79/85/55/591798555.db2.gz KYZXJHXLPUMRTO-GASCZTMLSA-N 2 2 336.480 1.931 20 0 EDADLP Cc1cn(C(C)(C)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000895551912 591798556 /nfs/dbraw/zinc/79/85/56/591798556.db2.gz KYZXJHXLPUMRTO-GASCZTMLSA-N 2 2 336.480 1.931 20 0 EDADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895572562 591804772 /nfs/dbraw/zinc/80/47/72/591804772.db2.gz IVXCSRDAIOVCOO-INIZCTEOSA-N 2 2 330.432 1.019 20 0 EDADLP O=c1cc(N2CC[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)nc[nH]1 ZINC000898158222 591806956 /nfs/dbraw/zinc/80/69/56/591806956.db2.gz RCNHNBHLRNBNJH-HNNXBMFYSA-N 2 2 340.431 1.415 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000899990003 591858593 /nfs/dbraw/zinc/85/85/93/591858593.db2.gz DMWLAKMHYLLFHS-GOSISDBHSA-N 2 2 330.432 1.308 20 0 EDADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000899990003 591858596 /nfs/dbraw/zinc/85/85/96/591858596.db2.gz DMWLAKMHYLLFHS-GOSISDBHSA-N 2 2 330.432 1.308 20 0 EDADLP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CC[NH+](Cc2ccncc2)CC1 ZINC000900003088 591861272 /nfs/dbraw/zinc/86/12/72/591861272.db2.gz BAJHFTLZRXVBHS-ZWKOTPCHSA-N 2 2 328.460 1.743 20 0 EDADLP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CC[NH+](Cc2ccncc2)CC1 ZINC000900003088 591861275 /nfs/dbraw/zinc/86/12/75/591861275.db2.gz BAJHFTLZRXVBHS-ZWKOTPCHSA-N 2 2 328.460 1.743 20 0 EDADLP C[NH+](C)CCn1nccc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000900057988 591880954 /nfs/dbraw/zinc/88/09/54/591880954.db2.gz QBJRFUSMUZPJRC-UHFFFAOYSA-N 2 2 326.404 1.065 20 0 EDADLP C/C(=C/C(=O)NCCc1cn2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000900059323 591889973 /nfs/dbraw/zinc/88/99/73/591889973.db2.gz ZNNDXMOMMGJVKQ-QINSGFPZSA-N 2 2 328.416 1.272 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900141797 591915940 /nfs/dbraw/zinc/91/59/40/591915940.db2.gz QKDXTSSVFFUWGS-LSBZLQRGSA-N 2 2 331.460 1.005 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000900141797 591915941 /nfs/dbraw/zinc/91/59/41/591915941.db2.gz QKDXTSSVFFUWGS-LSBZLQRGSA-N 2 2 331.460 1.005 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000900141797 591915943 /nfs/dbraw/zinc/91/59/43/591915943.db2.gz QKDXTSSVFFUWGS-LSBZLQRGSA-N 2 2 331.460 1.005 20 0 EDADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000900141797 591915944 /nfs/dbraw/zinc/91/59/44/591915944.db2.gz QKDXTSSVFFUWGS-LSBZLQRGSA-N 2 2 331.460 1.005 20 0 EDADLP O=C1N(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@]12CCCOC2 ZINC000902193846 591941475 /nfs/dbraw/zinc/94/14/75/591941475.db2.gz DKCRUGSKLWQFGZ-WDYCEAGBSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1N(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@]12CCCOC2 ZINC000902193846 591941477 /nfs/dbraw/zinc/94/14/77/591941477.db2.gz DKCRUGSKLWQFGZ-WDYCEAGBSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1N(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@]12CCCOC2 ZINC000902193846 591941480 /nfs/dbraw/zinc/94/14/80/591941480.db2.gz DKCRUGSKLWQFGZ-WDYCEAGBSA-N 2 2 333.476 1.532 20 0 EDADLP O=C1N(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@]12CCCOC2 ZINC000902193846 591941482 /nfs/dbraw/zinc/94/14/82/591941482.db2.gz DKCRUGSKLWQFGZ-WDYCEAGBSA-N 2 2 333.476 1.532 20 0 EDADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000900247127 591958279 /nfs/dbraw/zinc/95/82/79/591958279.db2.gz QAFCQSTUAGRELU-MAUKXSAKSA-N 2 2 332.448 1.143 20 0 EDADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000900247127 591958282 /nfs/dbraw/zinc/95/82/82/591958282.db2.gz QAFCQSTUAGRELU-MAUKXSAKSA-N 2 2 332.448 1.143 20 0 EDADLP CCn1ncc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000902323235 591978596 /nfs/dbraw/zinc/97/85/96/591978596.db2.gz ASHFPUTUZKLERC-INIZCTEOSA-N 2 2 344.419 1.197 20 0 EDADLP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1)C1([NH3+])CC1 ZINC000902360836 591986299 /nfs/dbraw/zinc/98/62/99/591986299.db2.gz KORXEZGUBHDODB-AWEZNQCLSA-N 2 2 337.489 1.831 20 0 EDADLP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000902403896 591991328 /nfs/dbraw/zinc/99/13/28/591991328.db2.gz UMODTEUTGWFLHE-QZTJIDSGSA-N 3 2 338.540 1.151 20 0 EDADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000900360152 591994930 /nfs/dbraw/zinc/99/49/30/591994930.db2.gz HBOZPBPLFFJUGZ-UHFFFAOYSA-N 2 2 334.342 1.065 20 0 EDADLP O=C(N[C@@H]1CCc2[nH+]ccn2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900406349 592010346 /nfs/dbraw/zinc/01/03/46/592010346.db2.gz HJSNEPIVVSJYMP-HWOWSKLDSA-N 2 2 332.448 1.205 20 0 EDADLP C[NH+]1CCC([NH2+]Cc2cn(CCOc3ccc(F)cc3)nn2)CC1 ZINC000900495596 592034022 /nfs/dbraw/zinc/03/40/22/592034022.db2.gz KKOITOZHPVZZCD-UHFFFAOYSA-N 2 2 333.411 1.680 20 0 EDADLP Cc1cn(C)nc1CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000902727242 592053329 /nfs/dbraw/zinc/05/33/29/592053329.db2.gz UHGMIVWSDRRECG-QGZVFWFLSA-N 2 2 343.431 1.628 20 0 EDADLP C[NH+](C)CCOc1ccc(CCNC(=O)CNc2cccc[nH+]2)cc1 ZINC000900578120 592056958 /nfs/dbraw/zinc/05/69/58/592056958.db2.gz ZXABYJRGKVQXHC-UHFFFAOYSA-N 2 2 342.443 1.793 20 0 EDADLP COc1cccc(O)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693496 592096885 /nfs/dbraw/zinc/09/68/85/592096885.db2.gz UQKRCGSSQOKTOF-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP COc1cccc(O)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693496 592096886 /nfs/dbraw/zinc/09/68/86/592096886.db2.gz UQKRCGSSQOKTOF-UHFFFAOYSA-N 2 2 335.448 1.499 20 0 EDADLP C[C@H](C[NH2+][C@H](C)C1(NC(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000903099108 592120481 /nfs/dbraw/zinc/12/04/81/592120481.db2.gz BYVDYRMCUFBADC-HUUCEWRRSA-N 2 2 341.496 1.990 20 0 EDADLP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000903316034 592155294 /nfs/dbraw/zinc/15/52/94/592155294.db2.gz MCJMWODNDRUVOW-CZUORRHYSA-N 2 2 329.510 1.263 20 0 EDADLP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000903316034 592155297 /nfs/dbraw/zinc/15/52/97/592155297.db2.gz MCJMWODNDRUVOW-CZUORRHYSA-N 2 2 329.510 1.263 20 0 EDADLP CCOC(=O)c1ccc(N2CCC[N@H+](C[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000903454798 592174218 /nfs/dbraw/zinc/17/42/18/592174218.db2.gz JSPQXKVBCCOZEO-MRXNPFEDSA-N 2 2 332.448 1.522 20 0 EDADLP CCOC(=O)c1ccc(N2CCC[N@@H+](C[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000903454798 592174221 /nfs/dbraw/zinc/17/42/21/592174221.db2.gz JSPQXKVBCCOZEO-MRXNPFEDSA-N 2 2 332.448 1.522 20 0 EDADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)C(=O)N1CCN(c2ccccc2)CC1 ZINC000903470477 592175485 /nfs/dbraw/zinc/17/54/85/592175485.db2.gz MCUSATVLGXAVHK-FUHWJXTLSA-N 2 2 342.487 1.598 20 0 EDADLP O=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)NC(=O)NCc1ccccc1 ZINC000903485185 592178222 /nfs/dbraw/zinc/17/82/22/592178222.db2.gz KNOIMRCAZOSXSG-HNNXBMFYSA-N 2 2 330.432 1.277 20 0 EDADLP CC(C)(C)c1nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)no1 ZINC000903522763 592196614 /nfs/dbraw/zinc/19/66/14/592196614.db2.gz RDLQBSAICJONIV-DOMZBBRYSA-N 2 2 335.452 1.104 20 0 EDADLP COc1cc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)ccc1Cl ZINC000903565744 592212630 /nfs/dbraw/zinc/21/26/30/592212630.db2.gz PCOWUGVFMXSPAT-UHFFFAOYSA-N 2 2 347.868 1.050 20 0 EDADLP COc1cccc(C(=O)N2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000904335694 592233656 /nfs/dbraw/zinc/23/36/56/592233656.db2.gz ACJJYQATCRGYNE-LJQANCHMSA-N 2 2 331.460 1.843 20 0 EDADLP CN(C(=O)c1c2c(nn1C)CCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906654608 592237397 /nfs/dbraw/zinc/23/73/97/592237397.db2.gz KVICGEAYIJUFFU-HNNXBMFYSA-N 2 2 345.491 1.149 20 0 EDADLP CN(C(=O)c1c2c(nn1C)CCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906654608 592237401 /nfs/dbraw/zinc/23/74/01/592237401.db2.gz KVICGEAYIJUFFU-HNNXBMFYSA-N 2 2 345.491 1.149 20 0 EDADLP CCOC(=O)c1csc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC000903750108 592294645 /nfs/dbraw/zinc/29/46/45/592294645.db2.gz UYWFOWYNNVWOCL-DOMZBBRYSA-N 2 2 339.461 1.648 20 0 EDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741219 592302938 /nfs/dbraw/zinc/30/29/38/592302938.db2.gz ONSRJWFBPJGSGO-OALUTQOASA-N 3 2 338.540 1.103 20 0 EDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741219 592302942 /nfs/dbraw/zinc/30/29/42/592302942.db2.gz ONSRJWFBPJGSGO-OALUTQOASA-N 3 2 338.540 1.103 20 0 EDADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769693 592310656 /nfs/dbraw/zinc/31/06/56/592310656.db2.gz MDNZUIBWKAZRPG-QGZVFWFLSA-N 3 2 337.508 1.332 20 0 EDADLP O=C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccc2c(c1)CCC2 ZINC000903815313 592324000 /nfs/dbraw/zinc/32/40/00/592324000.db2.gz MANOPRNBAFQJAD-UHFFFAOYSA-N 2 2 343.471 1.958 20 0 EDADLP O=C(C[N@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccc2c(c1)CCC2 ZINC000903815313 592324004 /nfs/dbraw/zinc/32/40/04/592324004.db2.gz MANOPRNBAFQJAD-UHFFFAOYSA-N 2 2 343.471 1.958 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000903824991 592334105 /nfs/dbraw/zinc/33/41/05/592334105.db2.gz WTFHFMSKNLFHOK-RDGPPVDQSA-N 2 2 334.460 1.045 20 0 EDADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000903824991 592334110 /nfs/dbraw/zinc/33/41/10/592334110.db2.gz WTFHFMSKNLFHOK-RDGPPVDQSA-N 2 2 334.460 1.045 20 0 EDADLP O=C(CN1CCC[C@@]12CC[NH2+]C2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000903867694 592342247 /nfs/dbraw/zinc/34/22/47/592342247.db2.gz SESQOWMGGFGABQ-SFHVURJKSA-N 2 2 348.516 1.220 20 0 EDADLP Cc1nnc([C@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898082 592368701 /nfs/dbraw/zinc/36/87/01/592368701.db2.gz IQSMZVCMDOXXRM-UONOGXRCSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nnc([C@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898082 592368707 /nfs/dbraw/zinc/36/87/07/592368707.db2.gz IQSMZVCMDOXXRM-UONOGXRCSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903898082 592368714 /nfs/dbraw/zinc/36/87/14/592368714.db2.gz IQSMZVCMDOXXRM-UONOGXRCSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903898082 592368721 /nfs/dbraw/zinc/36/87/21/592368721.db2.gz IQSMZVCMDOXXRM-UONOGXRCSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nc([C@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903898082 592368726 /nfs/dbraw/zinc/36/87/26/592368726.db2.gz IQSMZVCMDOXXRM-UONOGXRCSA-N 2 2 330.440 1.009 20 0 EDADLP Cc1nc([C@H]2CCC[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n[nH]1 ZINC000903898082 592368729 /nfs/dbraw/zinc/36/87/29/592368729.db2.gz IQSMZVCMDOXXRM-UONOGXRCSA-N 2 2 330.440 1.009 20 0 EDADLP Cn1cc[nH+]c1CN(C[C@H]([NH3+])CC(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000903905768 592373009 /nfs/dbraw/zinc/37/30/09/592373009.db2.gz NONYDKKFIHLUPL-CHWSQXEVSA-N 3 2 327.423 1.347 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cnn1C ZINC000903909637 592375065 /nfs/dbraw/zinc/37/50/65/592375065.db2.gz GWXACSUFWBLSDC-QZTJIDSGSA-N 3 2 333.524 1.510 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cnn1C ZINC000903909637 592375070 /nfs/dbraw/zinc/37/50/70/592375070.db2.gz GWXACSUFWBLSDC-QZTJIDSGSA-N 3 2 333.524 1.510 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cnn1C ZINC000903909637 592375075 /nfs/dbraw/zinc/37/50/75/592375075.db2.gz GWXACSUFWBLSDC-QZTJIDSGSA-N 3 2 333.524 1.510 20 0 EDADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cnn1C ZINC000903909637 592375078 /nfs/dbraw/zinc/37/50/78/592375078.db2.gz GWXACSUFWBLSDC-QZTJIDSGSA-N 3 2 333.524 1.510 20 0 EDADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)c1ccccc1 ZINC000905095896 592421423 /nfs/dbraw/zinc/42/14/23/592421423.db2.gz HHALHHDWEQMHNU-KVSKMBFKSA-N 2 2 336.476 1.608 20 0 EDADLP C[NH2+]CCOc1cccc(-c2nc([C@H]3C[NH+]4CCN3CC4)no2)c1 ZINC000904098699 592424821 /nfs/dbraw/zinc/42/48/21/592424821.db2.gz CGMMTLJPUOIFTA-OAHLLOKOSA-N 2 2 329.404 1.007 20 0 EDADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904306837 592472834 /nfs/dbraw/zinc/47/28/34/592472834.db2.gz DWJPEXCNPACQFW-CVEARBPZSA-N 2 2 326.529 1.672 20 0 EDADLP CO[C@H]1CC[N@H+](Cc2nc(C(=O)N3CC[C@@H]([NH+](C)C)[C@H]3C)co2)C1 ZINC000908414662 592486775 /nfs/dbraw/zinc/48/67/75/592486775.db2.gz KIBNHDAPDSDACK-VNHYZAJKSA-N 2 2 336.436 1.060 20 0 EDADLP CO[C@H]1CC[N@@H+](Cc2nc(C(=O)N3CC[C@@H]([NH+](C)C)[C@H]3C)co2)C1 ZINC000908414662 592486778 /nfs/dbraw/zinc/48/67/78/592486778.db2.gz KIBNHDAPDSDACK-VNHYZAJKSA-N 2 2 336.436 1.060 20 0 EDADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CCC1 ZINC000905274457 592489657 /nfs/dbraw/zinc/48/96/57/592489657.db2.gz SNCXUZPZIGKGHA-ICSRJNTNSA-N 2 2 348.487 1.533 20 0 EDADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CCC1 ZINC000905274457 592489658 /nfs/dbraw/zinc/48/96/58/592489658.db2.gz SNCXUZPZIGKGHA-ICSRJNTNSA-N 2 2 348.487 1.533 20 0 EDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000905378495 592520036 /nfs/dbraw/zinc/52/00/36/592520036.db2.gz LPYMDQNGCJJTFA-KGLIPLIRSA-N 2 2 336.436 1.109 20 0 EDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C[NH+]2CC[C@H](OC)C2)n1 ZINC000905378495 592520037 /nfs/dbraw/zinc/52/00/37/592520037.db2.gz LPYMDQNGCJJTFA-KGLIPLIRSA-N 2 2 336.436 1.109 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)c1coc(C[N@@H+]2CC[C@H](OC)C2)n1 ZINC000905378495 592520039 /nfs/dbraw/zinc/52/00/39/592520039.db2.gz LPYMDQNGCJJTFA-KGLIPLIRSA-N 2 2 336.436 1.109 20 0 EDADLP CC[NH+]1CCC[C@@H]1CNC(=O)c1coc(C[N@H+]2CC[C@H](OC)C2)n1 ZINC000905378495 592520041 /nfs/dbraw/zinc/52/00/41/592520041.db2.gz LPYMDQNGCJJTFA-KGLIPLIRSA-N 2 2 336.436 1.109 20 0 EDADLP OC[C@@H]1CCCCN1c1cc(N2CC[NH2+]CCC23CCC3)nc[nH+]1 ZINC000905658345 592599016 /nfs/dbraw/zinc/59/90/16/592599016.db2.gz HEPAHGFLKJLQIG-HNNXBMFYSA-N 2 2 331.464 1.550 20 0 EDADLP CN(C)c1cc(C(F)(F)F)nc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000905703713 592616104 /nfs/dbraw/zinc/61/61/04/592616104.db2.gz FBLPRNCWIDUUEW-UHFFFAOYSA-N 2 2 332.374 1.396 20 0 EDADLP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000907558325 592707842 /nfs/dbraw/zinc/70/78/42/592707842.db2.gz GJLWNYWVLMZCDX-KRWDZBQOSA-N 2 2 347.507 1.368 20 0 EDADLP CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(C[NH3+])ccn1 ZINC000906225118 592765721 /nfs/dbraw/zinc/76/57/21/592765721.db2.gz DGLJDDYXTVVZAI-KRWDZBQOSA-N 2 2 340.427 1.404 20 0 EDADLP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(C[NH3+])ccn1 ZINC000906225118 592765722 /nfs/dbraw/zinc/76/57/22/592765722.db2.gz DGLJDDYXTVVZAI-KRWDZBQOSA-N 2 2 340.427 1.404 20 0 EDADLP CC[C@H](O)[C@H](C)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190061 592945730 /nfs/dbraw/zinc/94/57/30/592945730.db2.gz GDRTXYCIYMJTIX-RDJZCZTQSA-N 2 2 325.497 1.412 20 0 EDADLP CC[C@H](O)[C@H](C)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000911190061 592945728 /nfs/dbraw/zinc/94/57/28/592945728.db2.gz GDRTXYCIYMJTIX-RDJZCZTQSA-N 2 2 325.497 1.412 20 0 EDADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccn[nH]1)c1ccccc1 ZINC000911632693 592970538 /nfs/dbraw/zinc/97/05/38/592970538.db2.gz JGKCUXUWKXEGFU-DLBZAZTESA-N 2 2 329.448 1.479 20 0 EDADLP O=C(c1c[nH+]ccc1Nc1ccccc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000912054517 593057726 /nfs/dbraw/zinc/05/77/26/593057726.db2.gz OGVYJEZTSOOEBC-JKSUJKDBSA-N 2 2 338.411 1.138 20 0 EDADLP O=C(c1c[nH+]ccc1Nc1ccccc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000912054517 593057728 /nfs/dbraw/zinc/05/77/28/593057728.db2.gz OGVYJEZTSOOEBC-JKSUJKDBSA-N 2 2 338.411 1.138 20 0 EDADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000912586680 593106494 /nfs/dbraw/zinc/10/64/94/593106494.db2.gz WUBBRUAJDWVQNZ-UHFFFAOYSA-N 2 2 348.491 1.361 20 0 EDADLP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000838632478 593198735 /nfs/dbraw/zinc/19/87/35/593198735.db2.gz GOCNBMSRKTZOCC-JKSUJKDBSA-N 2 2 343.431 1.939 20 0 EDADLP O=S(=O)(Cc1ccccc1)NCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000838910202 593230728 /nfs/dbraw/zinc/23/07/28/593230728.db2.gz PSRLIMICEZFJGS-UHFFFAOYSA-N 2 2 337.489 1.322 20 0 EDADLP Cn1cc([C@@H]2N(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172366 593233351 /nfs/dbraw/zinc/23/33/51/593233351.db2.gz RRXYVMJPDFWYCV-OIISXLGYSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@@H]2N(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172366 593233352 /nfs/dbraw/zinc/23/33/52/593233352.db2.gz RRXYVMJPDFWYCV-OIISXLGYSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@@H]2N(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172366 593233353 /nfs/dbraw/zinc/23/33/53/593233353.db2.gz RRXYVMJPDFWYCV-OIISXLGYSA-N 2 2 345.491 1.703 20 0 EDADLP Cn1cc([C@@H]2N(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C(=O)C2(C)C)cn1 ZINC000808172366 593233354 /nfs/dbraw/zinc/23/33/54/593233354.db2.gz RRXYVMJPDFWYCV-OIISXLGYSA-N 2 2 345.491 1.703 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000802734011 593274141 /nfs/dbraw/zinc/27/41/41/593274141.db2.gz OAYYZGSUHJHBKC-URLQWDBASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000802734011 593274142 /nfs/dbraw/zinc/27/41/42/593274142.db2.gz OAYYZGSUHJHBKC-URLQWDBASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000802734011 593274144 /nfs/dbraw/zinc/27/41/44/593274144.db2.gz OAYYZGSUHJHBKC-URLQWDBASA-N 2 2 348.491 1.861 20 0 EDADLP CCC[C@]1(C2CC2)NC(=O)N(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000802734011 593274146 /nfs/dbraw/zinc/27/41/46/593274146.db2.gz OAYYZGSUHJHBKC-URLQWDBASA-N 2 2 348.491 1.861 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C(=O)[C@]12CCCO2 ZINC000840005887 593341779 /nfs/dbraw/zinc/34/17/79/593341779.db2.gz YXEXJXPYQISBFA-BQFCYCMXSA-N 2 2 332.448 1.894 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C(=O)[C@]12CCCO2 ZINC000840005887 593341781 /nfs/dbraw/zinc/34/17/81/593341781.db2.gz YXEXJXPYQISBFA-BQFCYCMXSA-N 2 2 332.448 1.894 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C(=O)[C@@]12CCCO2 ZINC000840005890 593341814 /nfs/dbraw/zinc/34/18/14/593341814.db2.gz YXEXJXPYQISBFA-XYJFISCASA-N 2 2 332.448 1.894 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C(=O)[C@@]12CCCO2 ZINC000840005890 593341817 /nfs/dbraw/zinc/34/18/17/593341817.db2.gz YXEXJXPYQISBFA-XYJFISCASA-N 2 2 332.448 1.894 20 0 EDADLP CC(C)[C@@H]1N(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C(=O)[C@@]12CCCO2 ZINC000840007198 593342678 /nfs/dbraw/zinc/34/26/78/593342678.db2.gz MHZFQHALENRGEZ-ZIFCJYIRSA-N 2 2 335.492 1.778 20 0 EDADLP CC(C)[C@@H]1N(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C(=O)[C@@]12CCCO2 ZINC000840007198 593342681 /nfs/dbraw/zinc/34/26/81/593342681.db2.gz MHZFQHALENRGEZ-ZIFCJYIRSA-N 2 2 335.492 1.778 20 0 EDADLP O=C1C[C@]2(CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)Oc2ccccc21 ZINC000839644398 593363035 /nfs/dbraw/zinc/36/30/35/593363035.db2.gz RHCCOPMWGXUAIG-KXBFYZLASA-N 2 2 330.428 1.553 20 0 EDADLP O=C1C[C@]2(CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)Oc2ccccc21 ZINC000839644398 593363037 /nfs/dbraw/zinc/36/30/37/593363037.db2.gz RHCCOPMWGXUAIG-KXBFYZLASA-N 2 2 330.428 1.553 20 0 EDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C(C)C ZINC000840030028 593394519 /nfs/dbraw/zinc/39/45/19/593394519.db2.gz AGXBZXZKOMQJCV-WMZOPIPTSA-N 2 2 334.464 1.887 20 0 EDADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C(C)C ZINC000840030028 593394521 /nfs/dbraw/zinc/39/45/21/593394521.db2.gz AGXBZXZKOMQJCV-WMZOPIPTSA-N 2 2 334.464 1.887 20 0 EDADLP C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000806664884 593462847 /nfs/dbraw/zinc/46/28/47/593462847.db2.gz BMMKJTNQJLEZKH-SOLBZPMBSA-N 2 2 348.491 1.698 20 0 EDADLP C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000806664884 593462848 /nfs/dbraw/zinc/46/28/48/593462848.db2.gz BMMKJTNQJLEZKH-SOLBZPMBSA-N 2 2 348.491 1.698 20 0 EDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NOC/C=C/Cl)CC2)CC1 ZINC000811875561 593485080 /nfs/dbraw/zinc/48/50/80/593485080.db2.gz YCIPBVXWKOUNIK-FARCUNLSSA-N 2 2 330.860 1.528 20 0 EDADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000812019649 593488581 /nfs/dbraw/zinc/48/85/81/593488581.db2.gz LBYUBNFZHGSWNW-AWEZNQCLSA-N 2 2 330.436 1.795 20 0 EDADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000812019649 593488582 /nfs/dbraw/zinc/48/85/82/593488582.db2.gz LBYUBNFZHGSWNW-AWEZNQCLSA-N 2 2 330.436 1.795 20 0 EDADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)C[C@@H]2C1 ZINC000812329648 593497195 /nfs/dbraw/zinc/49/71/95/593497195.db2.gz KAZIKXPWFYHYDL-MSOLQXFVSA-N 2 2 338.455 1.884 20 0 EDADLP C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)C[C@@H]2C1 ZINC000812329648 593497196 /nfs/dbraw/zinc/49/71/96/593497196.db2.gz KAZIKXPWFYHYDL-MSOLQXFVSA-N 2 2 338.455 1.884 20 0 EDADLP C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000817892025 593645833 /nfs/dbraw/zinc/64/58/33/593645833.db2.gz IZIXGELXWBUXEA-GOEBONIOSA-N 2 2 325.478 1.226 20 0 EDADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)CCC[NH2+]1 ZINC000817973414 593652829 /nfs/dbraw/zinc/65/28/29/593652829.db2.gz FIYOMVUIXGFNMS-KDOFPFPSSA-N 2 2 332.448 1.635 20 0 EDADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)COC1CCOCC1 ZINC000818981153 593732048 /nfs/dbraw/zinc/73/20/48/593732048.db2.gz RHLAHTXYTZEIPY-KRWDZBQOSA-N 2 2 331.416 1.518 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000819038853 593735126 /nfs/dbraw/zinc/73/51/26/593735126.db2.gz JREBHXJMRMWSKM-HUUCEWRRSA-N 2 2 327.469 1.336 20 0 EDADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000819038853 593735127 /nfs/dbraw/zinc/73/51/27/593735127.db2.gz JREBHXJMRMWSKM-HUUCEWRRSA-N 2 2 327.469 1.336 20 0 EDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819050133 593735748 /nfs/dbraw/zinc/73/57/48/593735748.db2.gz QRSKSQQIAOZWNI-SWLSCSKDSA-N 2 2 331.382 1.574 20 0 EDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819050133 593735749 /nfs/dbraw/zinc/73/57/49/593735749.db2.gz QRSKSQQIAOZWNI-SWLSCSKDSA-N 2 2 331.382 1.574 20 0 EDADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000819079009 593737597 /nfs/dbraw/zinc/73/75/97/593737597.db2.gz PPWJIPQMWBVDOO-PBHICJAKSA-N 2 2 329.485 1.726 20 0 EDADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)Cn3cccn3)CC2)cc1 ZINC000819108833 593739306 /nfs/dbraw/zinc/73/93/06/593739306.db2.gz PCDUNOZDHITACU-LJQANCHMSA-N 2 2 343.475 1.569 20 0 EDADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3COC(C)(C)O3)c2cc1C ZINC000819155664 593741865 /nfs/dbraw/zinc/74/18/65/593741865.db2.gz OUADBPVPJQCKGF-CABCVRRESA-N 2 2 333.432 1.755 20 0 EDADLP